smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1cc(OC)cc(-c2nnc(SCc3cccc(C#N)c3)n2-c2cccc(C)c2)c1 4184588 XGMNICRXTLLZBN-UHFFFAOYSA-N 442.544 5.424 30 10 IKEE C=C(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C 6442965 HVXLSFNCWWWDPA-YBXTVTTCSA-N 426.729 8.169 30 10 IKEE C#CCN1CCC2=C(C1)c1c(O)cc([C@H](C)CCCc3ccc(F)cc3)cc1OC2(C)C 13455616 UIDOJGIFVOOMLY-LJQANCHMSA-N 433.567 5.921 30 10 IKEE COc1cc(/C=C/C(=O)Nc2nc(-c3ccccc3Cl)cs2)ccc1OCC#N 14375371 VKYJBBWWSHFAAI-VQHVLOKHSA-N 425.897 5.026 30 10 IKEE COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(-c4cccc([N+](=O)[O-])c4)c32)cc1 20849716 JDILMGGGTVZLCL-FQEVSTJZSA-N 444.491 5.194 30 10 IKEE CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(O)cc2)cc1 21218199 CFKNVKPYMSORFT-MMTVBGGISA-N 438.571 6.669 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NC1CCCC1)[C@H]2c1ccc(F)cc1 21722168 ZANWQEGAPSFBSQ-VWLOTQADSA-N 447.554 6.094 30 10 IKEE Cc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)cc1C 21722288 FCKGNHMEIJGGMQ-VWLOTQADSA-N 427.504 6.109 30 10 IKEE COc1cc([C@@H]2C3=C(C[C@H](c4ccc(Cl)cc4)CC3=O)Nc3onc(C)c32)ccc1O 28052263 LLRSHVCWDRHYSA-NYHFZMIOSA-N 436.895 5.309 30 10 IKEE CC(C)c1ccc(C2=C(N3CCN(c4ccccc4)CC3)C(=O)c3ccccc3C2=O)cc1 39892140 XNMIFWRAWWAQGB-UHFFFAOYSA-N 436.555 5.423 30 10 IKEE C=CCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@@H]1c1ccc(OCCCC)cc1 39913407 UHFNWYNCJLIAIK-QFIPXVFZSA-N 437.923 5.665 30 10 IKEE CN1CCc2nc(SCc3ccc(Cl)c(Cl)c3)c(C#N)c(-c3ccco3)c2C1 40569913 VDODXJHVSKSYEC-UHFFFAOYSA-N 430.360 5.800 30 10 IKEE C=Cc1ccc(COc2ccc3c(c2C)O/C(=C\c2cc(OC)ccc2OC)C3=O)cc1 41504372 HCHNZCHFTVVKLM-MYYYXRDXSA-N 428.484 5.850 30 10 IKEE O=C1/C(=N\c2ccc(F)cc2)c2ccccc2N1CN(Cc1ccccc1)Cc1ccccc1 59378692 WNRBEDPWLPMWLC-PNOGMODKSA-N 449.529 5.953 30 10 IKEE C=C(C)COc1ccc(NC(=O)CNc2ccc(OCCCc3ccccc3)cc2)cc1 66063490 LPPCBBYRXKSFBB-UHFFFAOYSA-N 430.548 5.704 30 10 IKEE C=C(C)COc1cccc(NC(=O)CNc2ccc(C(=O)N(CC)c3ccccc3)cc2)c1 66092099 WBBMFKOUTUUVCW-UHFFFAOYSA-N 443.547 5.359 30 10 IKEE C/C(=N\OCc1ccc(F)cc1)c1cc(-c2ccc(F)cc2)n(-c2cccc(C)c2)c1C 97632278 KGTGRMXNKHFKTM-NDZAJKAJSA-N 430.498 6.980 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1OC 100443370 BOPLANTYKVQWOT-UHFFFAOYSA-N 437.606 6.118 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1cccc(OCCCC)c1 100443947 KEDYUAXHXMHYIC-UHFFFAOYSA-N 434.690 7.380 30 10 IKEE COc1cccc(/C=C2\S/C(=N/c3nc(-c4ccccc4)cs3)N(C)C2=O)c1OC 101129944 XUAOWCFVMHMSBV-FRYIGISESA-N 437.546 5.061 30 10 IKEE CCCCCCCCCCCCn1c(COc2ccc3ccccc3c2)nc2ccccc21 102190731 QBHGPNDHHKXUPE-UHFFFAOYSA-N 442.647 8.689 30 10 IKEE CCCCCCCCCCn1c([C@@H]2CC(=O)N(c3cccc(C)c3C)C2)nc2ccccc21 102199929 YIIYBXMTYUKBKZ-XMMPIXPASA-N 445.651 7.314 30 10 IKEE O=C1C(=O)N(Cc2cccnc2)[C@@H](c2cccc(Cl)c2)/C1=C(/O)c1cc2ccccc2o1 102758072 OQOWORRFRKYSAD-VFJWVMJUSA-N 444.874 5.103 30 10 IKEE O=C1/C(=C\Nc2ccc(Cl)cc2)S(=O)(=O)N(Cc2ccc(F)cc2)c2ccsc21 105337128 VGDVAEUDLMEFMW-WOJGMQOQSA-N 448.928 5.027 30 10 IKEE O=[N+]([O-])c1ccc(/C(=N/OCCOc2ccccc2)[C@H]2C[C@H]2c2ccc(Cl)cc2)cc1 139617948 NKAJMJNCVXJYNQ-MOBOLPGFSA-N 436.895 5.852 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(Cl)cc1)c1cc2ccccc2o1 170059750 MKCGEHVOPPVIJH-QFIPXVFZSA-N 435.907 5.997 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccccc1F 170070609 SWRRGBJNJLSXJD-HSZRJFAPSA-N 435.882 5.581 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2cccc(O)c2)cc1C 170079403 RLHAYOKQLWVVHZ-RUZDIDTESA-N 441.527 5.915 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccc(Cl)cc2)[C@@H]1c1ccco1)c1c[nH]c2ccccc12 170096606 OVBYQIQPVZWAEU-JOCHJYFZSA-N 446.890 5.235 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1C1CCCC1 170125934 NURRRGFIHWIVEO-QHCPKHFHSA-N 435.520 5.003 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C[C@H]2CCCO2)c1 170143421 ZAYIHYAWYJGCJG-UZLBHIALSA-N 446.330 5.059 30 10 IKEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(C(C)(C)C)cc1 170149624 OVTCKVKTVLPKTH-XMMPIXPASA-N 443.543 5.362 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cccc(OC(C)C)c1 170153449 IWBFFHOXYBEGFR-XMMPIXPASA-N 433.548 5.341 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccs2)cc1C 170156758 ZQWOYWQDURWCBP-JOCHJYFZSA-N 433.529 5.465 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccncc2)c1 170197821 UNLRLLCOWPTMNK-DEOSSOPVSA-N 436.467 5.026 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(Cl)cc2)c(C)c1 170235083 MEQJNHJVIZLEHE-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2F)ccc1Cl 170249023 JBXOSXBCVYUVSD-NRFANRHFSA-N 437.854 5.271 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2cccc(O)c2)cc1 170259494 PZSSKWBLKWTUNV-RUZDIDTESA-N 439.511 5.362 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2ccco2)cc1 170281121 PKYNUOCTRWHRRC-DEOSSOPVSA-N 443.499 5.511 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2ccco2)cc1C 170284075 WGYDRTAWUVJWGY-NRFANRHFSA-N 437.879 5.341 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@@H]2c2ccco2)c1 170287304 WTWZGUNBAOKUBX-HSZRJFAPSA-N 425.440 5.224 30 10 IKEE CN(C)c1ccc(/C=C/C=N/N=C2/CC[C@@H]3[C@H]4CC[C@@H]5CCCC[C@]5(C)[C@@H]4CC[C@]23C)cc1 252511758 KJCIEPRMJJUJPF-JFKRZFCVSA-N 445.695 7.625 30 10 IKEE CCc1ccc(N=C2S/C(=C/c3ccccc3OCc3ccccc3)C(=O)N2C)cc1 252589310 AINQTJXLCMPTIW-DNKROPNVSA-N 428.557 6.062 30 10 IKEE COc1cc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2ccc(C#N)cc2)ccc1OC(C)C 526489811 SOWIGFYPIOUZGZ-HSZRJFAPSA-N 446.528 5.473 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@@H]2c2c[nH]c3ccccc23)c1 526516145 NDOVGTWMPSZQFG-QHCPKHFHSA-N 425.875 5.750 30 10 IKEE CCOc1cc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccc(F)c2)ccc1OC 526603221 BFWNYBWQRJKFIV-DEOSSOPVSA-N 444.462 5.162 30 10 IKEE CCCOc1ccc(/C=N\n2cnnc2SCc2ccc(C(C)(C)C)cc2)cc1Cl 526805818 QQHVTSLPJPVZPP-WGARJPEWSA-N 443.016 6.192 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1ccccc1O 526813604 DPLDTKJIBUBEMR-FMCGGJTJSA-N 435.380 5.808 30 10 IKEE Cc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccccc1OCC(C)C 526821116 BQIWXVSCISIWOZ-YSMPRRRNSA-N 430.577 5.949 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@H](C#N)c1cccc(OCc2ccccc2)c1 698437772 LZIKPSPKHDAVQC-VWLOTQADSA-N 428.532 6.268 30 10 IKEE COc1cc(Br)c([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCC2)cc1OC 698882790 SIJPQAIYCJDRJO-INIZCTEOSA-N 439.350 5.211 30 10 IKEE CC(C)[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 698902221 LCPNJLLHYMGCMW-RTBURBONSA-N 435.540 5.256 30 10 IKEE CC/N=C1\S/C(=C/c2ccc(Br)cc2)C(=O)N1N=Cc1ccc(C)cc1 1084437709 UVFWNRVHTCTAGT-YNMMBTTPSA-N 428.355 5.084 30 10 IKEE CSC(=NC(=O)c1ccc(Cl)c(Cl)c1)NC(=O)c1ccc(Cl)c(Cl)c1 1088661240 JEMBCPGHBQDFRC-UHFFFAOYSA-N 436.147 5.589 30 10 IKEE C=CCCC(=O)Nc1ccc(COC(=O)c2cccc3nc(O)n(CC(C)(C)C)c23)cc1 1537825187 IPWQHZZFDRADKY-UHFFFAOYSA-N 435.524 5.050 30 10 IKEE CC(C)(C)c1ccc(C=NN=C2S/C(=C/c3cccs3)C(=O)N2Cc2ccco2)cc1 1772758307 QYIHQFXSMGJSFQ-VWAPCYNNSA-N 449.601 6.145 30 10 IKEE CCc1ccc(-n2cc(/C=N\NC(=S)Nc3ccccc3)c(-c3ccccc3)n2)cc1 1857809901 FUMVQHCAHKPWSL-ONUIUJJFSA-N 425.561 5.422 30 10 IKEE CCCCCCCOc1cccnc1NC(=O)Oc1ccc(OCc2ccccc2)cc1 1858690508 DZUQUHAMUSHTMO-UHFFFAOYSA-N 434.536 6.621 30 10 IKEE O=C(CCNCc1c(F)cccc1Cl)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1860710804 MHYSIMAGJTXKMS-UHFFFAOYSA-N 442.762 5.635 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)c1cccc(OC(C)=O)c1 1861470034 WLLLJFIEVQQBFH-HSZRJFAPSA-N 432.605 5.157 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)CCCOc1ccc(CC)cc1 1861712006 NAHCTYIMNDYBAT-HHHXNRCGSA-N 446.676 5.950 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc2cc[nH]c2c1 1862380665 IPBKMTPMPIEWAX-YUNKPMOVSA-N 443.330 5.852 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2c(Cl)cccc2Cl)cc1 1862393794 DHMJKAOTDBRVNQ-NRFANRHFSA-N 446.374 6.323 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccccc2C)cc1C 1862400811 NIZNIQDMFYQAFE-UQBPGWFLSA-N 441.527 5.652 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccccc1C(=O)O 1862433859 MWTYGBMOLHBNKD-HXUWFJFHSA-N 441.911 5.197 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc(Br)c1 1862439014 HCFAIDMLBVPRBK-SFHVURJKSA-N 448.744 5.337 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1 1862476395 KDZZIALIEKIQJW-XMMPIXPASA-N 435.564 5.942 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862506283 LSFBXZUWLJDZMO-NRFANRHFSA-N 440.471 5.201 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2cccc(Cl)c2)c1 1862508229 ZESHJHHHGJVJOD-QHCPKHFHSA-N 449.909 5.874 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccc(F)cc2)cc1 1862530653 VGOLRWLSTVDUNP-XMMPIXPASA-N 435.539 6.079 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(Cl)c(Cl)c1 1862550766 LIBIKEOOFUAMTP-FQEVSTJZSA-N 430.331 5.470 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C2CCCCC2)cc1 1862592759 JTPSPQIGMRUETM-QHCPKHFHSA-N 433.548 5.601 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccccc1F 1862616236 PIKLSATZFLAROJ-QFIPXVFZSA-N 439.527 5.127 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 1862662796 LELZEJGLVYASGG-RUZDIDTESA-N 440.543 5.546 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@H]1c1ccccc1F)c1ccc(F)cc1 1862672325 AJGLKXSGRXNICG-QHCPKHFHSA-N 433.454 5.176 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862702934 PJYPEHDWCGWDHF-DEOSSOPVSA-N 445.490 5.175 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2Cc2cccnc2)cc1 1862713621 SALCCDYIZLTFHP-VWLOTQADSA-N 434.495 5.322 30 10 IKEE CC(C)c1ccc(NC2=C(c3ccccc3F)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862927255 OHMNCAININHHRZ-UHFFFAOYSA-N 425.463 5.217 30 10 IKEE CCCCCCCCC(=O)Nc1ccc(Br)cc1I 1866090124 DUEMXAMABBDBMW-UHFFFAOYSA-N 438.147 5.743 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)C[C@H]2CCCC[C@H]2c2ccccc2)c1 1866151086 HCVDEEKEDAEHGZ-NOZRDPDXSA-N 436.555 6.400 30 10 IKEE N#Cc1cccc(NC(=O)[C@@H](NC(=O)CCCc2cccc(Cl)c2)c2ccccc2)c1 1867124642 IJTRXOUSMHTLEA-DEOSSOPVSA-N 431.923 5.031 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC(Cc3ccccc3)CC2)nc(-c2cccnc2)n1 1868001331 XCUJQVYACMJQTE-UHFFFAOYSA-N 425.580 5.176 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2)c(=O)cc1CSCc1ccccc1 1870271253 AUTLQYSSJGMUDW-UHFFFAOYSA-N 449.660 7.221 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2)c(=O)cc1CNc1cc(C)ccc1C 1870898248 KQEUZJKSCCQZHV-UHFFFAOYSA-N 446.635 7.017 30 10 IKEE C=CCn1cc(OCCCOc2ccccc2)c(=O)cc1CNc1ccc(C(C)C)cc1 1871085340 OIXLBWONTHEQTH-UHFFFAOYSA-N 432.564 5.618 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1nc(-c2ccc(Cl)cc2)sc1-c1ccccc1 1871284833 QZOOYMHIUCPHMZ-UHFFFAOYSA-N 430.982 5.493 30 10 IKEE Cc1cc(OC(=O)Cc2cc(Cl)ccc2Cl)cc2c1C(=O)/C(=C/c1ccco1)O2 1871376554 QHBWAPIKHXNCIP-GRSHGNNSSA-N 429.255 5.659 30 10 IKEE Cc1cc(OC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc2c1C(=O)/C(=C/c1cccnc1)O2 1871384958 SBRNSGKXWDDFJW-MTJSOVHGSA-N 449.890 5.423 30 10 IKEE COC(=O)c1ccc(/C=C2\Oc3cc(OCCCc4ccccc4)cc(C)c3C2=O)cc1 1871399761 RESUEYCIDLHVQH-JLPGSUDCSA-N 428.484 5.409 30 10 IKEE CCCCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(N(CC)CC)cc1)C2=O 1871400397 ARNNNFWNHQXBOB-HAHDFKILSA-N 437.536 5.180 30 10 IKEE COc1ccccc1/C=C1\Oc2c(ccc(O[C@H](C)C(=O)Nc3ccc(F)cc3)c2C)C1=O 1871400892 NWPNUXIQIVQZFF-GMPVXANTSA-N 447.462 5.165 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCc4c(Cl)ccc(Cl)c4Cl)ccc3C2=O)o1 1871428029 DXEADDXHTIFIIY-OCKHKDLRSA-N 435.690 6.743 30 10 IKEE C=CCN=c1nc(Nc2ccc(Br)cc2C)[nH]c(N(CCCC)CCCC)n1 1871567907 UYRHYCJRZHHGAR-UHFFFAOYSA-N 447.425 5.113 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(Cl)cc1)C(C)C)S(=O)(=O)c1c(C)cc(C)cc1C 1871869157 VHQIANJMPACWTR-OAQYLSRUSA-N 449.016 5.105 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[C@H](C)CC)S(=O)(=O)CCCC 1872372409 SVSMQVVBWNGBAW-VQIMIIECSA-N 448.551 5.067 30 10 IKEE N#C[C@H](C(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1nc(-c2ccccc2)cs1 1872765978 ADQQORPVRBQYIM-OAQYLSRUSA-N 449.491 5.101 30 10 IKEE COc1ccc(/C=C(/C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c2ccccc2)cc1 1872768598 XOJXVYSUZKWMJJ-DFOZZHOTSA-N 436.536 6.236 30 10 IKEE COc1ccc(C)cc1-c1csc([C@H](C#N)C(=O)Cc2ccc(Cl)c(Cl)c2)n1 1872771742 BFMXASSQCKKLMU-OAHLLOKOSA-N 431.344 5.853 30 10 IKEE COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc(OC)c1OC 1872775757 ZELYMCSQYKGKMQ-GOSISDBHSA-N 436.533 5.449 30 10 IKEE COc1ccc(OC)c(/C=C/C(=O)[C@H](C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)c1 1872781658 XGGJNXPOVYSJGV-IEJURRBGSA-N 448.544 5.342 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2[C@H](C)CC)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873276406 FXGGBBGAZCQATK-HXUWFJFHSA-N 436.555 6.245 30 10 IKEE CCCCCCCCNC(=O)Cc1c(C)c2cc3c(C(C)(C)C)coc3c(C)c2oc1=O 1873892200 VUZJCXJTESMMMN-UHFFFAOYSA-N 439.596 6.473 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](C)Oc1ccc2c(CCCC)cc(=O)oc2c1C 1873935745 XUXIBPNYLXXQAR-OAQYLSRUSA-N 443.628 6.468 30 10 IKEE C=CCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1cccc2ccccc12 1874270533 VXBUQROXMDCVCC-TURZUDJPSA-N 434.568 6.336 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2cccc(O)c2)cc1 1874349211 ZWDBCPXNQLNCCA-WGOQTCKBSA-N 444.560 5.066 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(OC)c(OC)c1 1874367015 GHGWDONTQBRGSK-FSJBWODESA-N 428.945 5.166 30 10 IKEE CCCOc1c(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCCC)cccc1OC 1874381009 WVDWEPYRRPLXHO-PCLIKHOPSA-N 442.560 5.190 30 10 IKEE Cc1ccccc1CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1cccc(F)c1 1874392615 QALBVYYGUMUGEP-FQNOVECQSA-N 430.552 6.052 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccc(F)cc2)c1 1874398834 QAEZHUXJWCTJAZ-JVWAILMASA-N 446.551 5.391 30 10 IKEE CCCSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874399304 MCTCTQRLPXIYEM-LEBHPONQSA-N 438.597 5.610 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3)n2/N=C/c2cccc(O)c2)c1 1874402376 WOERTTWXBQORMM-YZSQISJMSA-N 428.561 5.252 30 10 IKEE COc1ccc(OC)c(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccccc2C)c1 1874437116 KTPQVNDFGZIUQS-MFKUBSTISA-N 438.597 5.367 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@H]3CCCO3)n2/N=C/c2cn(C)c3ccccc23)c1 1874446037 REKLOQIODBLGDZ-SIBVSACJSA-N 445.592 5.413 30 10 IKEE COCCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874469419 DNCLQDOEJJXVKL-FSJBWODESA-N 435.380 5.257 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2ccc([N+](=O)[O-])cc2)nnc1C(C)C 1874511799 BCCSGYHEOYZBSE-OEAKJJBVSA-N 437.525 5.049 30 10 IKEE CCOc1c(/C=N/n2c(SCc3cc(C)ccc3C)nnc2C2CC2)cccc1OC 1874519598 BHNGHKIGLURDOC-AFUMVMLFSA-N 436.581 5.354 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1F 1874582338 JESWJSNENHUTNJ-JXMROGBWSA-N 431.290 6.616 30 10 IKEE COc1cccc(/C=C/C(=O)c2cccc3ccccc23)c1OCc1cccc(Cl)c1 1874583609 WVOUTNGBZOCTJP-FOCLMDBBSA-N 428.915 6.977 30 10 IKEE O=C(/C=C/c1c(OCc2ccccc2)ccc2ccccc12)c1cc(Cl)ccc1Cl 1874591546 QGJMTNCQELEVMR-WYMLVPIESA-N 433.334 7.622 30 10 IKEE COC(=O)c1ccc(COc2ccccc2/C=C/C(=O)c2ccc(OC)c3ccccc23)o1 1874592168 QLXHGCNTJREXCS-SDNWHVSQSA-N 442.467 5.703 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OCc3c(Cl)cccc3Cl)c2)cc1 1874596101 NBLYHALKSAQQJY-NTEUORMPSA-N 441.354 7.257 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1OCc1ccc(F)cc1 1874599900 KAYGIHGOHNEPEW-NTEUORMPSA-N 432.535 6.915 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OCC(=O)Nc3cc(C)cc(C)c3)c2)cc1C 1874600748 AWXOSWCDIOCWMU-MDZDMXLPSA-N 443.543 5.842 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)cc([N+](=O)[O-])c1OCc1ccccc1 1874605396 NWGHHTDSWFQXMT-OUKQBFOZSA-N 433.460 5.477 30 10 IKEE Cc1ccccc1COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1Br 1874612380 RGAOHHIOOUCELR-PKNBQFBNSA-N 441.752 6.886 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc([N+](=O)[O-])c1OCc1cccc(Cl)c1 1874614490 JKLVSAIJJVDJOA-VAWYXSNFSA-N 437.879 6.122 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccc2c(c1)OCCO2 1874620576 IJUARESYQPHFEL-YCRREMRBSA-N 441.310 6.240 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OCC(=O)OC 1874622839 YAXGBGONMKKXNN-KPKJPENVSA-N 430.928 5.484 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OCc1ccc(Cl)cc1 1874624981 GMQLUYOKOYGDCA-LFYBBSHMSA-N 426.871 5.971 30 10 IKEE Cn1c(C(=O)Oc2cccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)c2)cc2ccccc21 1874692327 AMHKPUTZALDKCK-OUKQBFOZSA-N 426.428 5.202 30 10 IKEE CCc1ccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c(OC)c3)c2)cc1 1874694313 WMIXVKMUYQFWMW-NTCAYCPXSA-N 444.527 5.701 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2)cc1OC(=O)CCCOc1ccc(C)cc1 1874700903 RURCJVCARVRSFH-FOWTUZBSSA-N 430.500 5.664 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(OC)c1OC(=O)c1cccc(C)c1 1875104091 FSRBTECQHIDCON-BUHFOSPRSA-N 442.511 5.856 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3ccc(C)cc3)c(OC)c2)cc1 1875110596 RWISBUSTHWTSOM-AWNIVKPZSA-N 436.891 5.781 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@H]2C[C@H]2c2ccccc2Cl)cc1)c1ccc(F)cc1F 1875120252 KGRMLJNECJISGA-ZSHOURKBSA-N 438.857 6.223 30 10 IKEE CCCCCCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2)cc1 1875132402 RIHWCXMHMVGAJG-RGVLZGJSSA-N 442.555 7.069 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 1875137043 SPUMBZWMCZVVCL-GXDHUFHOSA-N 431.444 5.417 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1cccc(C)c1 1875156585 BUERMBGRMXIHJQ-OQLLNIDSSA-N 428.528 6.632 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OC 1875159314 MTCBAAQDCWLYHV-VGOFMYFVSA-N 434.463 5.277 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC(C)(C)C)cc2)cc1 1875159321 NBJQYKGAFWZYSD-XDHOZWIPSA-N 436.592 7.274 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)c1ccccn1 1875160345 LLGHXTMFNNZHCQ-VMPITWQZSA-N 429.806 5.137 30 10 IKEE CCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)cc1[N+](=O)[O-] 1875165809 AFUAKPOKZOOTCM-FNORWQNLSA-N 438.263 5.512 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)cc3)cc2)c1 1875171540 BDALXBOMNORWLE-MHWRWJLKSA-N 430.500 5.908 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc(/C=C/C(=O)c3c(C)cc(C)cc3C)cc2)c1 1875182628 MUIMSSAGJNVPEZ-DHZHZOJOSA-N 430.500 5.744 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2cncc(C)c2)c(Cl)c1 1875192922 KJKGMMQNZDCGNH-ZZXKWVIFSA-N 442.298 5.821 30 10 IKEE O=C(NCc1ccccc1OC(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1892144277 VZXZJHLAXPTMDN-UHFFFAOYSA-N 431.254 5.553 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)NCCC 1922059379 GLNNLXRBFDCKJM-LOSJGSFVSA-N 438.612 5.784 30 10 IKEE C=C(COCc1ccccc1)[C@H](N)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 1922095263 SEJKPUWXDMWAPL-FQEVSTJZSA-N 447.373 5.569 30 10 IKEE CCCCCCCC[C@@H](NCC)c1sc(Br)c(C)c1Br 1922933626 XXMVUFQVUBNAJG-CYBMUJFWSA-N 425.274 6.983 30 10 IKEE CC(C)(C)OC(=O)N1CCC([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)CC1 1944713965 PLCATHQTTLGBCV-IBGZPJMESA-N 433.524 5.106 30 10 IKEE CCOc1ccc(N=Cc2ccc(OC(=O)c3ccco3)cc2OC(=O)c2ccco2)cc1 2069603376 GNOOEHVAKZEXPR-UHFFFAOYSA-N 445.427 5.460 30 10 IKEE Cc1cc(C)c([C@@H](n2nc(C(F)(F)F)c(C=NO)c2Br)C2(C)CC2)c(C)c1 2079862306 NQAXBNMPUPKKBJ-MRXNPFEDSA-N 444.295 5.787 30 10 IKEE COc1ccc([C@H](C(C)C)n2nc(C(C)C)c(C#N)c2I)cc1C 2079946490 WNOLWRVFXCAIKS-SFHVURJKSA-N 437.325 5.045 30 10 IKEE CSc1ccc([C@@H](C2CC2)n2nc(C(C)C)c(C#N)c2I)cc1 2080105979 RLMQEIWDJXTPEA-QGZVFWFLSA-N 437.350 5.204 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(Cl)cccc1Br 2089287635 ZHODBBYNPVAZIJ-SJLPKXTDSA-N 443.813 5.450 30 10 IKEE Cc1c([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)c(Br)nn1C 2131578388 AKOUKWWXFDWOKP-AWEZNQCLSA-N 439.741 5.151 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2cc(Br)ccc2C)cc1 2154799090 LWMXGXRBKBTEGV-LJQANCHMSA-N 431.330 5.773 30 10 IKEE C[C@@H]1CCCN(c2cc(Br)ccc2C#N)[C@H]1CCCNC(=O)OC(C)(C)C 2174808032 JGDOLDGRIKHQSA-QAPCUYQASA-N 436.394 5.231 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCC[C@@]2(C#N)N(C(=O)OC(C)(C)C)C2CCC2)C1 2213335978 LFFSQMCLKJQUHV-PDOGEWKWSA-N 433.593 5.095 30 10 IKEE C=C([C@H](NC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)C(C)(C)C 2229112982 FGADKHQVDJMENJ-MSOLQXFVSA-N 425.411 5.075 30 10 IKEE CCCC#CC[C@H](NCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237408312 DKDNMXDVRORTQK-PMACEKPBSA-N 437.422 5.057 30 10 IKEE CCCN[C@H](C#Cc1cccc(Cl)c1)CCCCCNC(=O)OCc1ccccc1 2239560823 GBUPDANKCSVDSH-DEOSSOPVSA-N 426.988 5.547 30 10 IKEE C=CCN(CC[C@@H](NCC)c1sc(Br)c(C)c1C)C(=O)OC(C)(C)C 2254695521 HWSDEWRVLVQHPY-OAHLLOKOSA-N 431.440 5.591 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCC(=O)O)c1ccc(Br)cc1Cl 2261820571 NYPNHZIIFSZTHG-IBGZPJMESA-N 425.706 5.018 30 10 IKEE C=CC[C@@]1(COc2ncc(Br)cc2Cl)CCCCN1C(=O)OC(C)(C)C 2272082050 VDKRUZVAMLMJBZ-IBGZPJMESA-N 445.785 5.612 30 10 IKEE CN(CCN(CC[C@@H]1CCCC[C@]1(C#N)NC1CC1)Cc1ccccc1)Cc1ccccc1 2273194023 JPMBHYYASPIHLU-LMSSTIIKSA-N 444.667 5.215 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)c1cscc1OCc1ccccc1 2296271600 GLDGHNJXRQTDPR-QFIPXVFZSA-N 440.406 6.182 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)CCN(CCC)C(=O)OC(C)(C)C 2296309158 RDAVHRODCTYHFC-HXUWFJFHSA-N 437.422 5.206 30 10 IKEE Cc1c(OCc2ccc(F)cc2Cl)ccc2c1OC(=Cc1cn(C)c3ccccc13)C2=O 2296592370 YWQRRXJPLFBIDQ-UHFFFAOYSA-N 447.893 6.474 30 10 IKEE COc1ccc(C=C2CC[C@]3(C[C@@H]4CCCC[C@@]4(O)O[C@H]3c3ccc(OC)cc3)C2=O)cc1 2297473629 LHZZMHLXKOFUGQ-HQVUIPKPSA-N 448.559 5.477 30 10 IKEE Cc1cc2c3c(c1)C(=Nc1ccccc1)C(=O)N3C(C)(C)C=C2CSc1nnc(C)s1 2297660700 HHOYUVVVCVVTIB-UHFFFAOYSA-N 446.601 5.590 30 10 IKEE O=C(C=Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(-c2ccc(F)cc2)o1 2314480745 NVQALJKTWBQQAS-UHFFFAOYSA-N 434.470 6.835 30 10 IKEE O=C(C=Cc1ccc(-c2ccc(Cl)cc2)o1)c1ccc(NC(=O)c2cccs2)cc1 2314523314 QGNDIDBHECTHOX-UHFFFAOYSA-N 433.916 6.810 30 10 IKEE CN[C@@H](C#C[C@H]1CC1(C)C)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2317331635 WVTYWDCBSPDJSO-UIOOFZCWSA-N 425.572 6.155 30 10 IKEE O=[N+]([O-])c1cc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CC2)ccc1Cl 2320858326 DQSLUVZFGVNUSG-UHFFFAOYSA-N 448.335 5.545 30 10 IKEE Cc1ccc(C)c(COc2cc(C)c3c(c2)OC(=Cc2ccc(Br)cc2)C3=O)c1 2321755872 PXTZFCPBIBQIOT-UHFFFAOYSA-N 449.344 6.570 30 10 IKEE CCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(-c2ccccc2Cl)o1 2321762305 VKJFLYFUHJELTE-UHFFFAOYSA-N 440.931 6.068 30 10 IKEE C=Cc1ccc(COc2ccc3c(c2)OC(=Cc2cc(Cl)cc4c2OCOC4)C3=O)cc1 2321863077 DNLQFFHRKZKDJI-UHFFFAOYSA-N 446.886 6.045 30 10 IKEE CCN(CC)CCCCN1COc2ccc3c(c2C1)OC(=Cc1cccc(Cl)c1)C3=O 2322122890 XSUREMGPWKGNCT-UHFFFAOYSA-N 440.971 5.230 30 10 IKEE CCCCOCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1cccc(Cl)c1)C3=O 2322145586 WVEPFLLXJRQQPY-UHFFFAOYSA-N 441.955 5.623 30 10 IKEE Cc1ccc(CCN2COc3cc(C)c4c(c3C2)OC(=Cc2ccc(Cl)cc2)C4=O)cc1 2322220619 YMPLVYDGLYYOAA-UHFFFAOYSA-N 445.946 5.968 30 10 IKEE Cc1cc(OC(=O)c2ccccc2Cl)cc2c1C(=O)C(=Cc1ccc(Cl)cc1)O2 2322724841 ZZLXOYQDPOOKSX-UHFFFAOYSA-N 425.267 6.137 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCc2ccc(Cl)cc2Cl)c(OC)c1 2322901520 FOIZJVFDCXVJAG-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCc3ccc(C)cc3)ccc3ccccc23)c(OC)c1 2322904452 ZHZIKTNLUGVCNG-UHFFFAOYSA-N 438.523 6.641 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1OCC(=O)OCC(C)C 2323040391 CBSOZCSATRINMY-UHFFFAOYSA-N 444.527 5.836 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1OCc1c(F)cccc1Cl 2323105995 ZXDZUCGODPBWDU-UHFFFAOYSA-N 432.825 6.241 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C=Cc1ccc(C(C)C)cc1 2323273887 ONTARBABUUTLQX-MHZLTWQESA-N 448.651 6.027 30 10 IKEE O=C1C(=CC=Cc2ccccc2)Oc2cc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])ccc21 2323282912 GVVMCBKFNRGZKE-UHFFFAOYSA-N 447.830 5.640 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc2c(c1)OC(=Cc1ccc(Br)cc1)C2=O 2323485255 GONBRNQRHHAYNQ-UHFFFAOYSA-N 441.321 5.941 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)ccc1OCC(=O)Nc1ccccc1C 2323713796 CBFXIJXHZVOKSQ-UHFFFAOYSA-N 445.515 5.316 30 10 IKEE CCOc1cc(C=NNc2nc(C)c(C(C)=O)s2)ccc1OCc1cc(C)ccc1C 2323858019 RMYVOWGNTJWBJT-UHFFFAOYSA-N 437.565 5.695 30 10 IKEE Cc1ccc(C)c(COc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2Br)c1 2323944012 SZORLVNLBKCMKN-UHFFFAOYSA-N 449.388 7.158 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(F)c(C)c3)cc2[N+](=O)[O-])cc1 2323974888 LQDMLKLVVGQHQR-UHFFFAOYSA-N 448.450 5.264 30 10 IKEE CCCCOC(=O)COc1ccc2c(c1)OC(=Cc1cn(CC)c3ccc(OC)cc13)C2=O 2324293586 FBLZXTRCWABSLH-UHFFFAOYSA-N 449.503 5.008 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccccc1)C2=O 2324345602 JQCOWXBXPAMFBJ-IBGZPJMESA-N 441.527 5.888 30 10 IKEE Cc1cccc(OCCCOc2cc(C)c3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)c1 2324567868 WXDSVOCZUNMSDN-UHFFFAOYSA-N 443.543 5.834 30 10 IKEE O=C(C=Cc1ccc(OCCCO)c(Br)c1)c1cc(Cl)ccc1Cl 2324653867 RRMKFSVTXXVDQP-UHFFFAOYSA-N 430.125 5.413 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccccc1)C2=O 2325141951 AEVIHLCUENEGNF-LJQANCHMSA-N 427.500 5.634 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(F)c(F)c2F)cc2c1C(=O)C(=Cc1ccccc1)O2 2325532249 TZHGNIYBMMELFQ-UHFFFAOYSA-N 439.389 5.046 30 10 IKEE Cc1ccc2nc(-c3ccc(NC(=O)C(=O)C=Cc4cccc5ccccc45)cc3)sc2c1 2325614113 MKCQTHDFNQYANV-UHFFFAOYSA-N 448.547 6.646 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC(=O)CCc3ccc(Cl)cc3)c2)cc1 2325712476 RCVHFIGNTMBNKN-UHFFFAOYSA-N 446.974 7.117 30 10 IKEE CCCCCCOc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccccc3)c2)cc1 2325732637 YKMXHRWYKMRFFC-UHFFFAOYSA-N 428.528 6.761 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)CCc3ccccc3OC)c2)c(OC)c1 2325761774 QVHOORVMOVJBKL-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCC)n1N=Cc1cccc2ccccc12 2326458340 ZHQHPXVMKCLMJT-UHFFFAOYSA-N 444.560 5.569 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc(F)cc1F 2327956722 UMEYFQFIXOETLV-UHFFFAOYSA-N 432.927 5.545 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccc(C)c(C)c3)n2N=Cc2ccncc2)c1 2328933364 RTOMTWNCBZRKGQ-UHFFFAOYSA-N 441.604 5.558 30 10 IKEE C=CCSc1nnc(Cc2ccc(C)cc2)n1N=Cc1ccc(OC(C)C)c(OC)c1 2330008286 MDHPRLYUZCOFBO-UHFFFAOYSA-N 436.581 5.133 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3cccs3)n2N=Cc2ccccc2C(=O)O)c1 2330583739 QCOWTBLMGDKGPP-UHFFFAOYSA-N 448.573 5.496 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccs3)c(Cl)c2)cc1OC 2330718459 IMQOJQRTUUISIF-UHFFFAOYSA-N 428.893 5.534 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(C=CC(=O)c3cccc(Cl)c3)cc2Cl)c1 2331123294 DFQXXYJMABRSBV-UHFFFAOYSA-N 425.311 6.726 30 10 IKEE Fc1cccc(CSc2nnc(C(F)(F)F)n2N=Cc2ccc(Cl)c(Cl)c2)c1 2331123600 VLSSDXYEAYAWEZ-UHFFFAOYSA-N 449.260 5.917 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)C3CCCC3)c(Br)c2)cc1 2331198846 XGRCTCYOBWFBDM-UHFFFAOYSA-N 443.337 5.840 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc([N+](=O)[O-])c1OC(=O)c1ccco1 2331325139 OODGTNPYLQDAQU-UHFFFAOYSA-N 435.432 5.319 30 10 IKEE CCSc1nnc(C(C)(C)C)n1N=Cc1cccc(OC)c1OCc1cccc(C)c1 2331389170 ZVRFOWLXGXLKDL-UHFFFAOYSA-N 438.597 5.466 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3ccco3)c(OC)c2)cc1F 2331450405 FIWOLEJEVCDVRJ-UHFFFAOYSA-N 430.815 5.205 30 10 IKEE CC(C)Cc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(C(C)C)cc1 2331464136 BPWXQUKPDBLYTL-UHFFFAOYSA-N 442.632 6.928 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)cc(Br)c1OC(C)=O 2331478462 MKODFRUWCULJNA-UHFFFAOYSA-N 425.278 5.432 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3F)cc2)c(OCC)c1 2331731273 WNPIBXJYJPFUMK-UHFFFAOYSA-N 448.490 5.667 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3)c([N+](=O)[O-])c2)c(C)c1 2331768903 AWAYLHQIVCEWBY-UHFFFAOYSA-N 433.435 5.774 30 10 IKEE CC(C)c1ccc(C=CC(=O)Nc2c(C#N)nnn2Cc2ccc(Cl)cc2Cl)cc1 2332147601 MWTPNJQXFSRJQD-UHFFFAOYSA-N 440.334 5.280 30 10 IKEE CCN[C@H](C#Cc1cccs1)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2338251473 ZZORWEQVWJEXNU-QGZVFWFLSA-N 435.387 5.560 30 10 IKEE CCN[C@@H](C#C[C@H]1CC1(F)F)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2341016606 YEJXXARFDFULHB-LRDDRELGSA-N 429.305 5.105 30 10 IKEE CCCCCCCCCC[C@@H](O)c1cc(Br)ccc1OCc1ccccc1 2361176604 GLJHVJXAFVMRIT-HSZRJFAPSA-N 433.430 7.592 30 10 IKEE CC#CCN(C[C@@H](NCCC)c1c(F)ccc(F)c1Br)C(=O)OC(C)(C)C 2363133935 WIUPWCXTLBIJKH-MRXNPFEDSA-N 445.348 5.028 30 10 IKEE COc1ccc(-c2[nH]nc3c2[C@H](c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 9597277 ZBAISACIXZAJKW-JOCHJYFZSA-N 442.563 5.352 30 10 IKEE C=CCn1c(CNc2ccccc2)nnc1SCCC(=O)Nc1ccc([C@@H](C)CC)cc1 20831099 HSLAZEPIZQWKGD-IBGZPJMESA-N 449.624 5.711 30 10 IKEE CCOc1cc([C@@H]2C3=C(C[C@@H](c4ccc(OC)cc4)CC3=O)Nc3onc(C)c32)ccc1O 28052475 KZEZWLRCMNIYKK-OSPHWJPCSA-N 446.503 5.054 30 10 IKEE O=C1NC(=N/c2ccc(F)cc2)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)S1 33568085 JLSMCZBFTNCLTK-YVLHZVERSA-N 433.291 6.920 30 10 IKEE CC(C)N(C[C@@H](O)COc1cccc2ccccc12)C(F)(F)C(F)(F)C(F)(F)F 33903592 NZWSNQWXTVXQOM-CQSZACIVSA-N 427.360 5.080 30 10 IKEE Cc1ccc(CN2C(=O)[C@](O)(CC(=O)/C=C\c3ccccc3)c3cc(Cl)ccc32)cc1 34707185 ZDYOQYKUGJUPFX-YYFQYTQESA-N 431.919 5.055 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OCc3ccc(Br)cc3)ccc2C1=O 39754441 FOJUZXIQOYWVPV-UUYOSTAYSA-N 437.289 5.653 30 10 IKEE C=CCc1ccccc1OCCn1c([C@@H]2CC(=O)N(C3CCCC3)C2)nc2ccccc21 40183221 NJYIISAYNSBDMO-OAQYLSRUSA-N 429.564 5.102 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O)c1cc2ccccc2o1 41352671 KRSZPSSGJJKXAP-NHDPSOOVSA-N 427.368 5.176 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1cn(C)c4ccccc14)O3)CN(Cc1ccccc1)CO2 41650659 RNZMZYVFYJZRJB-MXAYSNPKSA-N 436.511 5.455 30 10 IKEE CCCCCCCCc1c(O)nc(-c2ccc(OCCCCC[C@H](C)CC)cc2)[nH]c1=O 59207432 DPLNBLXRJFDHHT-OAQYLSRUSA-N 442.644 7.031 30 10 IKEE C=CCn1c(CNc2ccccc2)nnc1SCC(=O)Nc1ccc(C(C)(C)C)cc1 59265755 CXNROXPAJVWHJK-UHFFFAOYSA-N 435.597 5.105 30 10 IKEE O=[N+]([O-])c1cccc(N/N=C(/CSc2nc3ccccc3s2)c2ccc(F)cc2)c1 59460550 QEUGEEHPRKJPRH-PLRJNAJWSA-N 438.509 5.952 30 10 IKEE C=CCOc1ccccc1NCC(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 66062457 UFLMNBQIAKAUEF-UHFFFAOYSA-N 441.959 5.018 30 10 IKEE CCCCCCCOc1cccc(NC(=O)CNc2ccc(C(=O)NCCC)cc2)c1 100103467 BSVFJYDPHCRXBX-UHFFFAOYSA-N 425.573 5.226 30 10 IKEE CCCCCCCCCCn1c([C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)nc2ccccc21 102207105 QZMUULQDCUJBMF-DEOSSOPVSA-N 445.651 7.314 30 10 IKEE NC(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)=N/OC(=O)c1c(F)cccc1F 106905058 WUFYRKZPKXRHCD-PLNGDYQASA-N 438.274 5.145 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/Nc2cccc(C(=O)O)c2)cc1OCC 169876899 LUBMVMFPBKCXCO-LGUFXXKBSA-N 426.557 6.359 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)ccc2C)cc1 169924685 QZSCWFALQZGEPU-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2Cc2cccs2)c1 169928449 FKWUVDWPGHBUHG-JOCHJYFZSA-N 433.529 5.152 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2cccc(F)c2)c1 169928876 HWISUJVCRDIYNV-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccc(F)cc2)c1 169929333 ULQOICZEVMKWGI-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(O)c(Cl)c1)c1cccc(Cl)c1 170041429 PKEKUVQHFBPFQR-LJQANCHMSA-N 444.270 5.071 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccccc2)cc1 170048934 CCITUDXTQKEZOK-RUZDIDTESA-N 441.527 5.992 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@H]2c2ccccc2)s1 170050652 SISADXZULGOAAK-SFHVURJKSA-N 442.899 5.335 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(C(C)C)cc2)cc1C 170066514 VPHUKMCIMFELOX-VWNXMTODSA-N 433.548 5.184 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2sccc2C)cc1C 170106152 LITZTDBFGGEFGX-QFIPXVFZSA-N 431.557 6.073 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2sccc2C)cc1 170106276 FCSCWRUNTFYBRN-JOCHJYFZSA-N 447.556 5.855 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccccc2)cc1C 170223186 JAJCFJKLRYMQBS-JOCHJYFZSA-N 435.426 5.065 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccccc2)cc1 170224327 PAOZVUDSZMJRKT-SANMLTNESA-N 433.507 6.185 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccccc1F)c1cccc2ccccc12 170250536 GRSSIFYPGUIZCO-QHCPKHFHSA-N 427.431 5.350 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2C2CCCC2)cc1 170268722 KBCYOCFNGFAAOC-UPCLLVRISA-N 431.532 5.093 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1Cc1ccccn1 170274427 KGNDGSQBDPXGFA-RUZDIDTESA-N 434.495 5.322 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccco2)cc1 170282365 ULYYAFQFVUZVBH-QFIPXVFZSA-N 435.451 5.236 30 10 IKEE CCOc1cc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(C)c2)ccc1OC 170336926 FAXVAPYJPVHZPM-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE COc1cccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)c1 170431003 DPSVNAJRBRXXFA-FQEVSTJZSA-N 433.426 5.229 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(N(CC)CC)cc1)N2 226715511 CYQPRXLJKOIFKT-WWPJHQMMSA-N 432.652 7.709 30 10 IKEE N#C[C@@H](Nc1ccccc1Br)c1ccc(Br)c(Br)c1 232469695 MXFVAOIFGMFCSR-CQSZACIVSA-N 444.952 5.651 30 10 IKEE Cc1ccc(N=Cc2cc(Br)cc(I)c2O)c(C)c1 254836100 FCDVGNSNPXXYGR-UHFFFAOYSA-N 430.083 5.127 30 10 IKEE Cc1ccccc1OCc1nc2ccccc2c(=O)n1N=Cc1c(O)ccc2ccccc12 254840709 GAAQFTVQTCGEQL-UHFFFAOYSA-N 435.483 5.025 30 10 IKEE C=CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2CC)SC1=Nc1ccc(C)cc1 254871628 BWOPZPQDMSIARW-JSYGVCDLSA-N 437.590 5.554 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1Nc1ccc(C#N)cc1Br 312142483 DDJHZUILFCPVCQ-HHXXYDBFSA-N 434.378 5.301 30 10 IKEE CCCCCCCC[C@@H](NC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 406922971 GUHFBDAYWPLYNK-GOSISDBHSA-N 427.427 6.807 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2sccc2C)c(OC)c1 526520308 HNTSUIJPTPMEEJ-OAQYLSRUSA-N 432.501 5.003 30 10 IKEE CCCOc1cc(/C=N\n2c(C)nnc2SCc2ccc(Cl)cc2)ccc1OC 526806336 CXYGGFCBXMAISJ-QRVIBDJDSA-N 430.961 5.212 30 10 IKEE CCCOc1cccc(/C=N\n2c(CCC)nnc2SCc2ccc(Cl)cc2)c1 526807040 DEGGXRFPJGGBGM-IWIPYMOSSA-N 428.989 5.847 30 10 IKEE CCCCOc1ccc(/C=N\n2c(CC)nnc2SCc2c(F)cccc2Cl)cc1 526817817 ZJQWGMWGFDEELK-QFEZKATASA-N 446.979 5.986 30 10 IKEE Cc1ccccc1/C=N\n1c(Cc2ccccc2)nnc1SCc1cccc2ccccc12 526821736 HTAUHCIAMYCZLY-CEUNXORHSA-N 448.595 6.505 30 10 IKEE CC(C)(C)OC(=O)N1CC([C@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C1 686263093 JKSNENPWQBCHRC-QFIPXVFZSA-N 435.952 5.231 30 10 IKEE C=CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(Br)c(Br)s1 698898678 ALJJNHYLCYCPJR-SNVBAGLBSA-N 436.169 5.261 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@@H](C#N)c1cc(Br)ccc1F 698958297 PNIZTDZDSLDHIJ-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1 698959154 RXBDETDKNARIHX-UUOWRZLLSA-N 429.561 5.276 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@@]1(C#N)N(CC1CC1)C(=O)OC(C)(C)C 710769797 QZBUNGOBTAIWPH-DFIYOIEZSA-N 447.620 5.486 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@](C)(C#N)CCCC(F)(F)F 710834108 WTGSFHUBLRXHIG-KRWDZBQOSA-N 435.284 6.205 30 10 IKEE N#CC(CCOC(=O)CCc1cc2ccccc2nc1O)(c1ccccc1)c1ccccc1 767789611 VVJGBIFARWPVJL-UHFFFAOYSA-N 436.511 5.316 30 10 IKEE CCCCNC(=O)CSc1nc2ccc(N=Cc3cc(Cl)ccc3O)cc2s1 1084433103 ZZWFXPSGUBHNSD-UHFFFAOYSA-N 433.986 5.414 30 10 IKEE Cc1cc(C)cc(-n2c(C)cc3c2CC(C)(C)CC3=NOC(=O)c2ccc([N+](=O)[O-])cc2)c1 1772728530 PDQQEWTUYNRRRT-UHFFFAOYSA-N 445.519 5.844 30 10 IKEE Cc1cccc(N=C2S/C(=C/c3ccc(Br)o3)C(=O)N2c2ccccc2)n1 1772736491 LCEWTVUQJUGHTC-PSZZWWBBSA-N 440.322 5.554 30 10 IKEE COc1ccc(/C=C2\SC(=Nc3nc(C)cs3)N(C3CCCCC3)C2=O)c(OC)c1 1772740403 XNSFJNBFRQVFOE-KXSRYFARSA-N 443.594 5.405 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc3c(OC(=O)Nc4c(F)cccc4F)cccc23)c1 1858780200 OZTGCTBJNYVHHB-UHFFFAOYSA-N 443.409 5.853 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)/C=C/c1ccc(C(C)C)cc1 1861554688 RZAHDSMSEWFREQ-YJRBMFNESA-N 428.661 6.365 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCC)NC(=O)COc1ccc(Cl)cc1Cl 1861671727 HVIIIWULXCNLTE-GOSISDBHSA-N 431.404 5.134 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccc(C)cc2)cc1C 1862400445 FALRKUDTGJZKBX-VWLOTQADSA-N 447.575 6.003 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccccc2Cl)=C(O)C(=O)N1C1CCCCCCC1 1862428961 BQBHXXIJUBZOFQ-QHCPKHFHSA-N 437.967 6.340 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862478861 SEXLWHOYRQQDJH-VWLOTQADSA-N 445.559 5.863 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccccc2)c1 1862487286 XLVSQMLDAZXRIR-RUZDIDTESA-N 425.528 5.699 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(C)cc1 1862508361 ZSHDJDRYAMHKME-XMMPIXPASA-N 437.555 6.381 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1cccc2ccccc12 1862528079 MWBVVGXZEGDSLY-OAQYLSRUSA-N 448.316 5.367 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@@H]2c2ccc(C)cc2)cc1 1862534146 QYBRXAULLGDJDC-XMMPIXPASA-N 445.946 5.989 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccc(F)cc2F)c1 1862561719 XDYJXYMFHXUKFH-QFIPXVFZSA-N 438.474 5.016 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccccc1 1862614397 CGFFPGFGLVLMPR-CLOONOSVSA-N 439.555 6.324 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862622323 HMZRKCMCFJQKBT-FQEVSTJZSA-N 445.481 5.990 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CC(C)C)cc1OC 1862655508 KACCATZJWIUGCI-DEOSSOPVSA-N 445.515 5.091 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C(C)C)cc3)[C@H]2c2ccc(O)cc2)cc1 1862661746 GTERAKSVPXJFKI-RUZDIDTESA-N 441.527 5.603 30 10 IKEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(Cl)cc1Cl 1862667514 DEWDMHPBPAGLEK-FQEVSTJZSA-N 448.346 5.342 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C)cc2C)=C(c2ccccc2[N+](=O)[O-])C1=O 1863239417 XRDMGQXYMKHNOO-UHFFFAOYSA-N 449.551 5.764 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCOCC)=C(c2ccc(Cl)cc2)C1=O 1863533818 TXQPARJVMOBNDN-UHFFFAOYSA-N 449.035 5.577 30 10 IKEE N#Cc1ccc(Nc2cc(N3CCO[C@@H](c4ccccc4)C3)nc(-c3ccccc3)n2)cc1 1868376643 PZSYUPMUMHVQJC-XMMPIXPASA-N 433.515 5.337 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccccc1)NC(=O)C[C@@H](c1ccc(C)cc1)C(C)C 1868696336 SMKPCHBRDSOAOL-CLJLJLNGSA-N 432.608 5.053 30 10 IKEE CCCCCCCCn1cc(OCCCO)c(=O)cc1CSc1ccc(Cl)cc1 1870236409 FPWHPBZJNPYEOS-UHFFFAOYSA-N 438.033 5.916 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(Cl)cc2)c(CN(C)CCCC)cc1=O 1870414323 LQFNLUUAYDJKTF-UHFFFAOYSA-N 433.036 6.131 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2c(F)cccc2Cl)cn1Cc1ccco1 1870636910 AFEDPDTYUNGTAM-UHFFFAOYSA-N 442.918 5.035 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(C)cc2)c(=O)cc1CN1CCC[C@@H](C)C1 1870770515 OSNRUKWHTQPLLU-XMMPIXPASA-N 438.656 6.328 30 10 IKEE CCc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2Cc2ccco2)cc1 1871254240 RZNLPUWFOVLUHT-UHFFFAOYSA-N 439.515 5.115 30 10 IKEE CCCCCCCCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccccc1F)C3=O 1871348345 GIGCPTLDEFLNEK-UQQQWYQISA-N 437.555 6.735 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(N(C)C)cc1)O3)CN([C@H]1CCCC[C@H]1C)CO2 1871351266 RUAZZHCHHKOTNP-LCYXVDTPSA-N 432.564 5.408 30 10 IKEE COc1ccc([C@@H](C)N2COc3cc(C)c4c(c3C2)O/C(=C\c2sccc2C)C4=O)cc1 1871354435 QMCNDPUUQMVAML-MTEVNVADSA-N 447.556 5.903 30 10 IKEE O=C(COc1ccc(Cl)cc1Cl)Oc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O 1871367454 MMQMQVOPXFCINL-FBHDLOMBSA-N 441.266 5.594 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871387371 RHVCJFPAWFZYGG-XKZIYDEJSA-N 434.875 5.883 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccc(C)o1)C2=O 1871402208 SHQNZHKUBYUZNT-PVFDWLMNSA-N 445.515 5.789 30 10 IKEE Cc1ccc(OCCOc2cc(C)c3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)cc1 1871404710 CRWJKLBBVNTBSG-CFRMEGHHSA-N 430.456 5.106 30 10 IKEE COc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccc(C)cc4)ccc3C2=O)cc1 1871408363 RXYUVAROCBMGBU-SNNLMFDCSA-N 429.472 5.026 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccc(C)cc4C)c3C)C2=O)c1 1871418819 PFYYLNYAJGXQPZ-OYKKKHCWSA-N 443.499 5.254 30 10 IKEE CC(C)=C1Oc2cc(OCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)ccc2C1=O 1871428280 SPPKINZFIUQIKX-UHFFFAOYSA-N 425.790 5.245 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O 1871435214 ZCWHERMCNQPFDL-FYYJVHHASA-N 442.939 6.237 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCc4cccc(Oc5ccccc5)c4)ccc3C2=O)c1 1871436723 MVYACMUHJZMSHC-QRQIAZFYSA-N 434.491 6.983 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccc(C)cc3)ccc2C1=O 1871453764 QIJGDOAIPMQJRO-OYKKKHCWSA-N 429.472 5.027 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(Cl)cc2)[nH]c(N2C[C@@H](C)C[C@@H](C)C2)n1 1871523864 HPQGSCQQAFFGHS-KDURUIRLSA-N 445.055 5.945 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cccc(C(C)(C)C)c1)[C@@H](C)CC)S(=O)(=O)CCCC 1872234543 OSTSQWJQDJHUOQ-UGKGYDQZSA-N 436.662 5.345 30 10 IKEE Cc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(C(C)(C)C)c1 1872760699 WADNJCGQZVXFRR-GOSISDBHSA-N 449.532 5.580 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(OCC(C)C)c3)n2)cc1 1872769965 FCMTWIWJTSMQNO-QFIPXVFZSA-N 434.561 6.124 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)c(C)c1C 1872778619 PGNRIUFUEPIGBX-HNNXBMFYSA-N 441.896 5.487 30 10 IKEE C=CCc1ccccc1OCc1cccc(C(=O)Nc2cccc(C(=O)OCCC)c2)c1 1872834151 NDWJLJPDWULMEQ-UHFFFAOYSA-N 429.516 5.813 30 10 IKEE C=CCc1ccccc1OCc1ccc(C(=O)Nc2cccc(C(=O)OCCC)c2)cc1 1872859403 PCZSRHZUQCDUBD-UHFFFAOYSA-N 429.516 5.813 30 10 IKEE COc1ccc(Br)cc1/C=N/n1c(C)nnc1SCc1cc(C)cc(C)c1 1873501534 AVJBWUJTMRXGKB-SSDVNMTOSA-N 445.386 5.149 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)cc2c(NCCCOCCCC)ncnc21 1873608175 NMUUXNGBQVPAPO-UHFFFAOYSA-N 435.572 5.105 30 10 IKEE CCCSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1c(F)cccc1Cl 1874261003 DBANMRIOMLAVDP-YSURURNPSA-N 440.878 5.312 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1cc(Cl)ccc1O 1874264665 JUPMFYPYIPMLTH-SSDVNMTOSA-N 437.352 5.254 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc(N(C)C)cc1 1874282874 DHGYIOFRUPJRHP-MFKUBSTISA-N 440.016 5.333 30 10 IKEE COc1ccc(Cc2nnc(SCc3cccc(C)c3)n2/N=C/c2cccc(C)c2)cc1 1874350295 FDEMXWKCBNAXAT-WPWMEQJKSA-N 442.588 5.669 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2F)n1/N=C/c1cccs1 1874362680 QSALXUQJTAHDIW-MFKUBSTISA-N 436.581 5.747 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccccc2)n1/N=C/c1ccc(C(C)C)cc1 1874416186 CXAMBSGWVQRNLI-MTDXEUNCSA-N 440.616 6.475 30 10 IKEE C=C(C)CSc1nnc([C@@H]2CCCO2)n1/N=C/c1ccc(OCCCCC)c(OC)c1 1874446590 GBEZVDGMJQODJY-UDIPQKBFSA-N 444.601 5.258 30 10 IKEE Fc1ccccc1CSc1nnc(C(F)(F)F)n1/N=C/c1c(Cl)cccc1Cl 1874461401 LRPRMMSDTNKUKG-KTZMUZOWSA-N 449.260 5.917 30 10 IKEE Oc1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2Cl)nnc1C(F)(F)F 1874463240 ZDVVUKKCIGPWDB-LIMNOBDPSA-N 447.269 5.484 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C2CCC2)cc1 1874497533 NZDAFTJPSCXEAD-DHRITJCHSA-N 445.419 6.589 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(OC)c(OC)c1 1874508774 UVVGGANZFQQLMO-WGOQTCKBSA-N 446.576 5.576 30 10 IKEE COc1ccccc1C(=O)/C=C/c1c(OCC(=O)Nc2ccccc2)ccc2ccccc12 1874577010 RAEIRWGENPJNCF-WUKNDPDISA-N 437.495 5.762 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)cc([N+](=O)[O-])c1OCCc1ccccc1 1874605069 GDZPQKASSLYSLD-OUKQBFOZSA-N 447.487 5.520 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3cccc(OC)c3)cc2Cl)o1 1874605661 ZBYDYOBPVYXCPK-JXMROGBWSA-N 440.879 5.593 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)cc1 1874616908 ZXIAKZXRDLIXDG-LICLKQGHSA-N 443.543 6.006 30 10 IKEE C=C(C)COc1c(Br)cc(/C=C/C(=O)c2ccc(C)cc2C)cc1OCC 1874617672 OBMLRYWCAOUGAM-CSKARUKUSA-N 429.354 6.316 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OCCc3ccccc3)c(OC)c2)cc1F 1874621521 HQSLXVNTFRZWHE-PKNBQFBNSA-N 436.479 5.369 30 10 IKEE COc1cc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccccc3)c2)c(OC)cc1Cl 1874711741 IZAXRUKAFSSMQS-VAWYXSNFSA-N 436.891 5.401 30 10 IKEE O=C(Cc1ccccc1F)Oc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1 1875108890 LFJFNXXFOICZPW-VGOFMYFVSA-N 439.280 5.632 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)c1ccc(OCC(C)C)cc1 1875128899 ALVKNBHUYZYQMG-OQLLNIDSSA-N 430.500 5.845 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 1875130026 GBFFGSDBIGNADE-QLKAYGNNSA-N 435.407 5.248 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)COc3c(C)cccc3C)c(Cl)c2)c1 1875139363 FJLITYWBNQLTRV-ZRDIBKRKSA-N 448.946 6.454 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)c1cccc(C)c1 1875140503 JUKUQUNESUMEDD-VAWYXSNFSA-N 448.946 6.779 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1ccc(OC(C)=O)cc1 1875142525 HMCSXRKZRVVRCC-UUILKARUSA-N 448.446 5.183 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(Cl)cc2)c(Cl)c1)c1ccc2c(c1)OCO2 1875149739 FJGKATGTCPJSHL-UNXLUWIOSA-N 441.266 5.837 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(-c3ccccc3)cc2)cc1)c1ccc(F)c(F)c1 1875161677 BRMSMZPLXBECKA-CAOOACKPSA-N 440.445 6.747 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(C)c3C)cc2Cl)cc1 1875167037 LLGYSJHYJUUOIE-MDWZMJQESA-N 448.946 6.643 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1cccc(C)c1 1875170193 LWBMANVGQZPSET-ZRDIBKRKSA-N 428.528 6.353 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1)c1ccc(Cl)cc1 1875191697 ZJMCMYPMXWPVRF-KGVSQERTSA-N 431.702 6.762 30 10 IKEE C=C([C@@H](NC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(C)(C)C 1875647018 RYLILHJHJXKYAU-IZLXSDGUSA-N 445.603 6.068 30 10 IKEE C#CC(C)(C)C[C@H](NC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875652152 UMQDVZYPEOVWNG-LBNVMWSVSA-N 443.587 5.516 30 10 IKEE C=CCCOc1cccc([Sn](CCCC)(CCCC)CCCC)c1 1885684876 KBOCPZGTXFVGBB-UHFFFAOYSA-N 437.256 6.698 30 10 IKEE N#Cc1ccc(OC2CCN(C(=O)Cc3cc(Cl)ccc3Oc3ccccc3)CC2)cc1 1892337317 UCEITQIVRYLIMH-UHFFFAOYSA-N 446.934 5.616 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1943910935 JCLDQPNMUQGART-WZONZLPQSA-N 449.979 5.811 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 1944380614 WTANGYJIPMZTRR-RHGYRFJNSA-N 429.561 5.356 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)CC12CCCC2 1949570183 CNECVPPRFPJUOF-DEOSSOPVSA-N 433.593 5.382 30 10 IKEE CCC#CC[C@H](NCCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2005883702 PIUWHFZWFZEWHQ-JYFHCDHNSA-N 428.617 5.002 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CC(C)(C)[C@H]2OCc2ccccc2)cc1 2038723538 DHSPLOHEVZKBAS-GJZUVCINSA-N 436.552 5.714 30 10 IKEE CC[C@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)CN1C(=O)OC(C)(C)C 2040670850 LPZKZPLXPHPPKP-UUOWRZLLSA-N 447.551 5.639 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)[C@@H]1C1CC1 2067979398 JQVFCLMFUTXWDR-CYFREDJKSA-N 445.535 5.249 30 10 IKEE CCc1ccc([C@@H](C(C)C)n2nc(C(C)(C)C)c(C#N)c2I)cc1 2079115043 CGCBHCOIWXCPKH-QGZVFWFLSA-N 435.353 5.465 30 10 IKEE CC(C)c1ccc([C@H](C2CC2)n2nc(C3CC3)c(C=NO)c2I)cc1 2079938442 UKCNSJKHLFYOPG-LJQANCHMSA-N 449.336 5.296 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2sc(C)cc2Br)cc1 2089742997 GKHJFKBMEBKBEL-MRXNPFEDSA-N 437.359 5.834 30 10 IKEE Cc1cccc(C#N)c1Nc1cc(Br)c(Br)c(Br)c1 2095445923 OBJKOUVYYWRXGQ-UHFFFAOYSA-N 444.952 5.898 30 10 IKEE C=CCN(CC[C@@H](NCCC)c1ccc(Br)c(Cl)c1)C(=O)OC(C)(C)C 2103287910 RFSUKBFZGMFLPY-GOSISDBHSA-N 445.829 5.956 30 10 IKEE Cc1ccc(NC(=O)OC(C)(C)C)c(C(=O)N2CCC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)c1 2124523591 IGXGWFYJHQHKHS-QGZVFWFLSA-N 444.381 5.040 30 10 IKEE Cc1ccccc1N[C@@H](C#N)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134725445 JLAIZHNZYZFDTM-MHZLTWQESA-N 434.539 6.830 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@H]2Nc2ccc(Br)cc2C#N)C1 2156236685 NAYXPKNEAQDNRU-WIYYLYMNSA-N 434.378 5.302 30 10 IKEE CC(C)(C)OC(=O)N1CCc2ccc(Nc3ccc(C#N)c(Br)c3F)cc21 2162316783 RZIARSRDKLTBCI-UHFFFAOYSA-N 432.293 5.501 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C(=O)C2=CC[C@@H](C(C)(C)C)CC2)cc1Br 2181549686 GWOKDOFPEYSEKJ-MRXNPFEDSA-N 436.390 6.751 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccc(Br)cc2C#N)C12CCCC2 2204292580 DZPUSWKSDNYKEU-GOSISDBHSA-N 434.378 5.445 30 10 IKEE C=CCCCCCCCC(=O)c1cc(Br)ccc1I 2227271157 IXNJQIWAODMPGD-UHFFFAOYSA-N 435.143 6.153 30 10 IKEE C=CCCCCCC[C@H](N)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237424676 XMRQZJRHNKCRED-VQTJNVASSA-N 439.438 5.739 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)[C@H]2CCC[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 2249372453 XSKDFZUIASWZDV-SXVTUYLSSA-N 435.609 5.388 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCC(=O)O)c1c(C)sc(C)c1Br 2261837335 UJEMFPVGPHSSQX-LJQANCHMSA-N 425.344 5.043 30 10 IKEE Cc1csc(C(=O)Nc2ccccc2OCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2267512137 LPIDIOBMFRJARI-UHFFFAOYSA-N 449.381 5.187 30 10 IKEE C=CCCC1(C(=O)Nc2ccc(Br)cc2CC)CN(C(=O)OC(C)(C)C)C1 2281049132 XIORGJVKTLJYHO-UHFFFAOYSA-N 437.378 5.153 30 10 IKEE CCN[C@@H](C#Cc1cccc(Br)c1)CN(CC(C)(C)C)C(=O)OC(C)(C)C 2296217232 RXYWHARJNRLLDL-IBGZPJMESA-N 437.422 5.062 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1CC[C@@H](O)C#Cc1ccc(Br)cc1 2296275094 XTDPNFWENIZOPP-YSIASYRMSA-N 436.390 5.025 30 10 IKEE COc1ccc(-c2ccc(C=C3SC(=Nc4ccccc4Cl)NC3=O)o2)cc1Cl 2297321681 URWRZNMVWVLYGW-UHFFFAOYSA-N 445.327 6.154 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1 2314429689 MHGKUBJWRDSXMB-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE O=C1C(=Cc2ccccc2Br)Oc2cc(OCc3ccc(Cl)cc3)ccc21 2314437052 BFSZCVGAGHTQHH-UHFFFAOYSA-N 441.708 6.298 30 10 IKEE O=C1C(=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)Oc2ccc(Cl)cc21 2314519302 IFGXVQYLHNTCRM-UHFFFAOYSA-N 433.294 6.462 30 10 IKEE CSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccccc1C 2321386607 TUTWXANHXJURCG-UHFFFAOYSA-N 428.989 5.472 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OCc4ccc(C(=O)OC)cc4)c3C)C2=O)cc1 2321856648 YSSBFZSIGMRXCG-UHFFFAOYSA-N 428.484 5.539 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1cccc(Cl)c1)O3)CN(CCOc1ccccc1)CO2 2322038182 GJTQECWYUGFCRS-UHFFFAOYSA-N 447.918 5.496 30 10 IKEE CCCOc1ccc(C=Nn2c(S)nnc2COc2cc(C)c(Cl)c(C)c2)cc1 2322234457 WORAMPNIJOVGPD-UHFFFAOYSA-N 430.961 5.087 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc([N+](=O)[O-])cc1)C3=O)CN(C1CCCCCC1)CO2 2322362674 LKGIODUTHZDSRA-UHFFFAOYSA-N 434.492 5.394 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)c1OCc1cccc(C)c1 2322474696 SXOHLUJXUFGWLN-UHFFFAOYSA-N 437.879 6.040 30 10 IKEE COC(=O)c1ccc(COc2c(C=CC(=O)c3ccc(C(C)(C)C)cc3)cccc2OC)o1 2322687685 UCOGDNGBGWRZMT-UHFFFAOYSA-N 448.515 5.847 30 10 IKEE C=C(C)COc1c(C=CC(=O)c2ccc(OC)c(F)c2)cc(Br)cc1OC 2322708723 YDFYGPFTPYVTBJ-UHFFFAOYSA-N 435.289 5.456 30 10 IKEE O=C1C(=Cc2cccc(F)c2)Oc2cc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])ccc21 2323282919 IILSLWVSKQUMPQ-UHFFFAOYSA-N 439.782 5.223 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCc3ccc(F)cc3)c2)cc1Cl 2323310436 KYEIDGZCZSMKJM-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)cc(Cl)c1OCc1ccccc1C 2323635386 USAGOGWKLFLMEE-UHFFFAOYSA-N 436.935 6.531 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OCc2cccc3ccccc23)c([N+](=O)[O-])c1 2323702181 UURPSHKHVRYIEF-UHFFFAOYSA-N 439.467 6.232 30 10 IKEE CCN(CC)C(=O)COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1OC 2323895905 IYFUPXNGFMZFQI-UHFFFAOYSA-N 436.335 5.145 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2Cl)cc1 2324161771 SGMKFOMQOXWPEP-UHFFFAOYSA-N 447.962 6.685 30 10 IKEE C=CCOc1c(OCC)cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1[N+](=O)[O-] 2324284983 HECGICMEVUEYJB-UHFFFAOYSA-N 445.471 6.247 30 10 IKEE COc1ccc(Br)cc1C=C1Oc2cc(OCC=C(C)C)cc(C)c2C1=O 2324851068 CFUQHVFZJKUTJC-UHFFFAOYSA-N 429.310 5.727 30 10 IKEE CCCCCCCCCCOC(=O)COc1ccc2c(c1)OC(=Cc1cccs1)C2=O 2325045270 IPKXVRYWFRTDTB-UHFFFAOYSA-N 442.577 6.427 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2325544175 AZUJLVDUMUZTPJ-UHFFFAOYSA-N 433.896 5.106 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(C(C)(C)C)cc1 2325566686 RFRBIPFWJHWHRF-UHFFFAOYSA-N 427.017 6.356 30 10 IKEE O=C(C=Cc1ccc(Br)cc1F)C(=O)NC1CCCCCCCCCCC1 2325720558 OBDKMGNWBGLFSA-UHFFFAOYSA-N 438.381 5.960 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2cccc(C=CC(=O)c3ccc(F)c(C)c3)c2)cc1 2325741947 JLXRGDWFKFQBNR-UHFFFAOYSA-N 432.491 6.103 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OC(=O)COc3cccc(C)c3C)c2)c1 2325744342 PJYFUETXZRLHNX-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OC(=O)c1ccc(Cl)cc1 2325750301 MSEYIYFEHPNGGS-UHFFFAOYSA-N 434.919 6.587 30 10 IKEE CCOc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(C(C)C)cc3)c2)cc1 2325750600 XLYJBKUPZICGRD-UHFFFAOYSA-N 428.528 6.253 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1OC(=O)c1c(F)cccc1Cl 2325753224 ARSMQJUHPGVDKH-UHFFFAOYSA-N 446.808 5.881 30 10 IKEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CC[C@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C1 2326072203 IEAYMJAFEUFZJY-XLGIIRLISA-N 442.600 5.088 30 10 IKEE Cc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2c(F)cccc2Cl)o1 2326583740 BNLYTYGGWCXTPF-UHFFFAOYSA-N 440.931 5.737 30 10 IKEE CCCCc1nnc(SCc2ccc(Br)cc2)n1N=Cc1ccc(O)cc1 2326621054 XWQLXQMUCFBWSA-UHFFFAOYSA-N 445.386 5.263 30 10 IKEE CCCSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1ccc(Cl)cc1Cl 2328568865 RNJJQIULFYFRBT-UHFFFAOYSA-N 449.407 5.959 30 10 IKEE C=CCOc1ccccc1C=Nn1c(COc2ccc(C)cc2C)nnc1SCC(=C)C 2328897841 ZGZJVOHOXXBODF-UHFFFAOYSA-N 448.592 5.589 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccccc3)n2N=Cc2cc(C)ccc2O)cc1 2329872616 CNMPOMMUMDLNDA-UHFFFAOYSA-N 444.560 5.354 30 10 IKEE CCc1ccc(C=Nn2c(Cc3ccc(C)cc3)nnc2SCc2cccc(F)c2)cc1 2329955494 BFFPXYGPRKHHCO-UHFFFAOYSA-N 444.579 6.053 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(F)c3)n2N=Cc2ccccc2O)cc1 2329955497 CKBYJRUSFXKDNC-UHFFFAOYSA-N 432.524 5.197 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(O)cc1 2330082203 XSRWAJRVRFMCGX-KRWDZBQOSA-N 432.524 5.449 30 10 IKEE Cc1cccc(C=Nn2c(SCc3cccc4ccccc34)nnc2-c2cccs2)c1 2330595327 SUPRTHXTHAPZFW-UHFFFAOYSA-N 440.597 6.643 30 10 IKEE Fc1cccc(CSc2nnc(-c3ccccc3)n2N=Cc2cccc3ccccc23)c1 2330651637 CGHDFNODDQECLI-UHFFFAOYSA-N 438.531 6.412 30 10 IKEE CN(C)c1ccc(C=Nn2c(SCCc3ccccc3)nnc2-c2ccccc2)cc1 2330676900 NORPURCPQJTDCI-UHFFFAOYSA-N 427.577 5.228 30 10 IKEE COc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2cccc(C)c2)c(OC)c1 2330821866 PKPUTTCTBJGDBG-UHFFFAOYSA-N 438.597 5.367 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)cc(Br)c1OC(=O)CC 2330946107 IUZAGVLDFQZQQS-UHFFFAOYSA-N 437.717 5.713 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(C2CCCC2)n1N=Cc1cccs1 2331030868 GITXYQUQBNSUMT-UHFFFAOYSA-N 439.610 5.173 30 10 IKEE Cc1ccccc1C=Nn1c(SCC(=O)Nc2c(C)cccc2C)nnc1C1CCCC1 2331061330 CEQBRRYRWKGCCT-UHFFFAOYSA-N 447.608 5.474 30 10 IKEE Cc1ccc(CSc2nnc(C(F)(F)F)n2N=Cc2ccc(Cl)cc2Cl)cc1 2331109098 WBOAKRICQHGRAX-UHFFFAOYSA-N 445.297 6.087 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)c1cccs1 2331115883 HUVBPIUMORDZBP-UHFFFAOYSA-N 433.312 6.179 30 10 IKEE Cc1cccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C(F)(F)F)c1 2331143909 IIMHBOPHUHEJIO-UHFFFAOYSA-N 445.297 6.087 30 10 IKEE CCOc1cc(C=Nn2c(SCc3ccccc3C)nnc2-c2ccco2)ccc1O 2331174484 VUBICZWHSGYPOG-UHFFFAOYSA-N 434.521 5.125 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)Cc1ccc(C)cc1 2331212954 VDURVNGIZAIIBH-UHFFFAOYSA-N 448.946 6.318 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)Cc1ccc(F)c(C)c1 2331230065 ILHZYKQDKDYXJX-UHFFFAOYSA-N 446.518 6.194 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OC 2331349261 FQTMTIREJXNPGK-UHFFFAOYSA-N 448.490 5.586 30 10 IKEE Cc1ccc(C=Nn2c(CC(C)C)nnc2SCC(=O)Nc2cccc(C)c2C)cc1 2331430768 XMKCFRUQQSIWPH-UHFFFAOYSA-N 435.597 5.015 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc(Cl)c1OC(=O)C(C)(C)C 2331665842 HRWGPQADIYEDTM-UHFFFAOYSA-N 444.955 6.212 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1C 2331706733 QXZSJQAJHYSIOL-UHFFFAOYSA-N 449.890 5.909 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2C2CC2)cc1 2331734377 WDEUHETUUAVWDN-UHFFFAOYSA-N 438.572 6.038 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)c1ccncc1 2331767651 YGFDJSWRMULBTK-UHFFFAOYSA-N 431.488 5.139 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(Cl)c2)c(C)c1 2331768434 CZIXCHXHOSEBLZ-UHFFFAOYSA-N 449.890 6.289 30 10 IKEE CCCC(=O)Oc1c(OC)cc(C=CC(=O)c2ccc(OC)c3ccccc23)cc1OC 2331866668 MMVBNHFIDSFGDA-UHFFFAOYSA-N 434.488 5.467 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H](Nc2cccc(Br)c2C#N)[C@@H]1C(F)(F)F 2370171938 HNOJCZUETCLNEN-LSDHHAIUSA-N 448.283 5.063 30 10 IKEE COc1ccc(-c2nnc(SCc3ccccc3C#N)n2-c2ccccc2)cc1OC 4186587 UYEBIFMILBISNS-UHFFFAOYSA-N 428.517 5.115 30 10 IKEE CC(=O)C1=C(c2ccccc2)S/C(=C2\C(=S)C(C)(C)Nc3cc(C)c(C)cc32)S1 13381822 VFFQHFGASOTVJJ-NMWGTECJSA-N 437.655 6.984 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(Cc1ccccc1)[C@H]2c1ccc(Cl)cc1 13923858 HXRQNMFUTYLPIC-MHZLTWQESA-N 442.990 7.157 30 10 IKEE CCOc1ccc(C(=O)/N=C(/NCCc2c[nH]c3ccccc23)Nc2ccccc2C)cc1 32943142 YRACMCPUJLZHFR-UHFFFAOYSA-N 440.547 5.316 30 10 IKEE CCOc1ccc2ccccc2c1/C=C1/S/C(=N/c2cccc(C(F)(F)F)c2)NC1=O 33348689 VNVBIXCRPPKJLE-DEDYPNTBSA-N 442.462 6.149 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)C)cc2)c1 33423000 ORIMAULGTZXGSJ-DEOSSOPVSA-N 445.515 5.580 30 10 IKEE COc1cc([C@H]2c3sc(O)nc3SC[C@H]2C=O)ccc1OCc1ccc(Cl)cc1 35531312 MJZKPHKXIPBTSD-RDTXWAMCSA-N 447.965 5.142 30 10 IKEE Cc1ccc(CNc2oc(-c3ccc(OCc4ccc(Cl)cc4)cc3)nc2C#N)cc1 39841557 ZEXCTZQZCVUPBR-UHFFFAOYSA-N 429.907 6.366 30 10 IKEE CCOc1ncnc(Nc2cc(Cl)c([C@H](C#N)c3ccc(Cl)cc3)cc2C)c1N 40688766 XRFZLRLRNOBZTR-MRXNPFEDSA-N 428.323 5.472 30 10 IKEE COc1cccc(COc2cc(C)c3c(c2)O/C(=C\c2ccc(-c4ccccc4)cc2)C3=O)c1 41504152 AMENDKYOOMJWJQ-QRQIAZFYSA-N 448.518 6.866 30 10 IKEE Cc1cc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)c(C)n1-c1ccc(C(C)C)cc1 59105804 WHLQIBKSGOCJLT-UCQKPKSFSA-N 433.552 6.248 30 10 IKEE COc1cc(/C=N/c2cc(C)c(C)c([N+](=O)[O-])c2)ccc1OCc1cccc(C(=O)O)c1 59302036 KTOFYEFTWXQBSU-DHRITJCHSA-N 434.448 5.248 30 10 IKEE CCCCCCCC(=O)NC(=S)Nc1cccc(C(=O)Nc2ccc(F)c(Cl)c2)c1 59854776 HBSBEGHTOQSTKQ-UHFFFAOYSA-N 449.979 5.905 30 10 IKEE Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(OC/C(=N/O)c3ccc(Cl)cc3)ccc12 100110397 SXTWFWLDLALBNI-NFFVHWSESA-N 447.918 5.911 30 10 IKEE O=C1/C(=C/c2cccc3ccccc23)S/C(=N/Cc2ccccc2)N1Cc1ccccc1 100437215 IQQDJTPGXJRMCK-PTGCCOHDSA-N 434.564 6.513 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1cc(Cl)cc(Cl)c1 100443351 DFLHREDTWDCEHC-UHFFFAOYSA-N 431.473 7.508 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)S/C1=N/c1ccccn1 101123866 DXADMNYEJSWZGF-NATJXCGNSA-N 430.316 5.882 30 10 IKEE CCCCCCCCCCCCn1c(CCNC(=O)c2ccc(C)cc2)nc2ccccc21 102139019 OMMPLXQOGWWBAQ-UHFFFAOYSA-N 447.667 7.238 30 10 IKEE CCOc1ccc(/C=C2\CC/C(=C\c3ccc(OCC)c(OCC)c3)C2=O)cc1OCC 104374811 SBYXGUHVARNWRU-YHARCJFQSA-N 436.548 6.111 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N[C@H](C(=O)O)[C@@H](O)c1ccccc1 106114281 SFRQXDVWVNVHCW-UIOOFZCWSA-N 447.660 6.551 30 10 IKEE CC(C)(C)c1cc(/C=N\n2c(S)nnc2CCc2ccccc2)cc(C(C)(C)C)c1O 169911232 CEHDCEHXOWZEBO-QQXSKIMKSA-N 436.625 5.535 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2ccc(F)cc2)c1 169972430 CVCJLQUTBMXFMS-XMMPIXPASA-N 441.458 5.659 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(Cl)cc2)cc1 170056814 LIMWSSFWADYUEY-HXUWFJFHSA-N 439.920 5.189 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1 170063343 RTOGSJJBRYKEMH-QHCPKHFHSA-N 435.882 5.581 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccccc2F)cc1 170069534 KYNUIIPBFQIVJU-QHCPKHFHSA-N 431.463 5.180 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccccc2F)ccc1F 170070934 LHJZSHVOGUCWDJ-OAQYLSRUSA-N 439.845 5.710 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1c[nH]c2ccccc12 170078477 BVCVADUZRSFNQY-VWLOTQADSA-N 428.532 5.398 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(C)o2)c1 170102548 BVLSKMDBORICNJ-NRFANRHFSA-N 437.879 5.029 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cccc(C)c1 170145211 KIPAXBJRMCWUKY-QFIPXVFZSA-N 439.939 5.568 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(OC(C)C)cc1 170151995 VQLUCLLWIDZSKL-VWLOTQADSA-N 443.543 6.005 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccs2)ccc1Cl 170156429 QMDUFJLOOVVIJW-HXUWFJFHSA-N 439.920 5.501 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(OC)c3)[C@@H]2c2cccnc2)cc1 170185812 IKMHFOOSARBIBJ-QFIPXVFZSA-N 448.906 5.089 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccccc2)cc1 170226885 LJEWTSDBUQFKAJ-QHCPKHFHSA-N 447.918 5.912 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(Cl)cc1)c1ccc2c(c1)CCCO2 170235305 LVKNCYHHGAMLCV-QHCPKHFHSA-N 445.902 5.448 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cc(C)c(OC)cc3C)=C(O)C(=O)N2C2CCCC2)cc1 170268751 KWGTYJIELAJDFA-XMMPIXPASA-N 433.548 5.395 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccco1 170284170 ZYZHBRILDIWJRK-NRFANRHFSA-N 432.863 5.506 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@@H]1c1ccco1)c1ccc2c(c1)CCO2 170287400 KWHLSAQRHIJSBO-XMMPIXPASA-N 437.451 5.151 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(O)c(Cl)c2)c1 170367271 JIVHCKOMOFIVDD-FQEVSTJZSA-N 439.920 5.507 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2c(C)[nH]c3ccccc23)c1 170403235 QXKSBSYDZZPCSR-VWLOTQADSA-N 436.511 5.876 30 10 IKEE CCN(CC)c1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]2c2cccc(OC)c2)cc1 170429773 HDPCTQAJMDEHQJ-JOCHJYFZSA-N 436.552 5.057 30 10 IKEE Cc1nn(C)cc1C=Nc1sc2c(c1C(=O)NC1CCCCC1)CC[C@H](C(C)(C)C)C2 252628668 SVHWGRXZNDGIFN-SFHVURJKSA-N 440.657 5.754 30 10 IKEE C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2/C=N/c2ccc3c(c2)oc2ccccc23)[C@@H](C)C1 253569919 MYJMTEJTKDRHMF-PZPYCMIGSA-N 427.504 6.870 30 10 IKEE COc1ccc(/C(C)=N/Nc2nnc(SCc3ccc(C(C)(C)C)cc3)[nH]2)cc1OC 253575985 VGUKIGRFAUXTHK-MFKUBSTISA-N 439.585 5.248 30 10 IKEE COc1ccc(N=C2[C@@H](N3CCCC3)C3(CCCCC3)C(=O)N2c2ccc(C)cc2)cc1 254742402 YCXREHIUXQNIAX-XMMPIXPASA-N 431.580 5.495 30 10 IKEE CCN(CC)c1ccc2c(c1)O[C@@H]1CC(=[N+](CC)CC)CC[C@@H]1[C@@H]2c1ccccc1C(=O)O 504643098 HNBUJSWRNUREIK-WYMJOSIYSA-O 449.615 5.417 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526520676 JBHWPOJPZHEIDG-XMMPIXPASA-N 426.491 6.052 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cn(C)c3ccccc23)c1 526605375 BFWULAPYJDSMTQ-AREMUKBSSA-N 449.510 5.506 30 10 IKEE CC(C)Oc1ccc(/C=N\n2cnnc2SCc2ccccc2F)cc1Br 526802770 NQJQLFWWJBOKOJ-RMORIDSASA-N 449.349 5.141 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@](C)(C#N)c1cc(Br)ccc1F 698424795 MBPJNXRVKVGRNP-OAQYLSRUSA-N 433.321 6.077 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1ccc(F)c(Br)c1 698483567 CNRKBIZBYOZLIH-QGZVFWFLSA-N 435.293 5.603 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(Br)ccc1F 698487856 VVEBRNNNAJQPHQ-QGZVFWFLSA-N 435.293 5.603 30 10 IKEE C[C@H]1CC[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)CN1C(=O)OC(C)(C)C 698898607 IXDGDDSYTJPEKI-AOMKIAJQSA-N 435.590 5.167 30 10 IKEE C[C@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)CN1C(=O)OC(C)(C)C 698989418 MYSCQCCIUIUADE-HJPURHCSSA-N 449.979 5.763 30 10 IKEE CCCCCCCC[C@@H](NCCC)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 702511886 UKDNRAJRDQBLRO-RPBOFIJWSA-N 447.708 6.131 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@H](C#N)c1cccc(OCc2ccccc2)c1 710770652 SEZQFLYRSINZFH-HSZRJFAPSA-N 434.561 6.329 30 10 IKEE Cc1nn(Cc2ccccc2)c(C)c1N=Cc1c(O)ccc2cc(Br)ccc12 1083947106 LWLOWMBYTMCNTC-UHFFFAOYSA-N 434.337 5.920 30 10 IKEE COC(=O)c1ccc(O)c(N/C(=N/Cc2cccc(C(F)(F)F)c2)N2CCCC[C@H]2C)c1 1088664724 IMTKIEWNHNLKLF-OAHLLOKOSA-N 449.473 5.040 30 10 IKEE CN1C/C(=C/c2cccc(C(F)(F)F)c2)C(=O)/C(=C\c2cccc(C(F)(F)F)c2)C1 1088695083 TYZZEPNCAZGQDV-JCDHFMOQSA-N 425.372 5.706 30 10 IKEE Cc1ccc(-n2c(C)cc3c2CC(C)(C)CC3=NOC(=O)c2ccc([N+](=O)[O-])cc2)cc1C 1772728351 JCIPXQSSMFIGLJ-UHFFFAOYSA-N 445.519 5.844 30 10 IKEE C/C(=C1/SC(=Nc2nc(-c3ccccc3)cs2)N(C)C1=O)c1ccc([N+](=O)[O-])cc1 1772740338 XHEVNKOUKNESNB-FQGQUVFJSA-N 436.518 5.342 30 10 IKEE Cc1ccc(C(=O)C[C@H]2SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1C 1772760191 YJCNVFWMEHWJAJ-RUZDIDTESA-N 442.584 6.329 30 10 IKEE C=CCN1C(=O)/C(=C\c2c(Cl)cccc2Cl)SC1=Nc1ccc(C(=O)O)cc1 1772763192 WVEJBQSPEYYCHD-DJCXZETLSA-N 433.316 5.482 30 10 IKEE CCc1ccc(NC(=S)N/N=C\c2cn(-c3cccc(C)c3)nc2-c2ccccc2)cc1 1857809767 YICRLPPEQDDKDT-PKAZHMFMSA-N 439.588 5.731 30 10 IKEE Cc1ccc(-n2cc(/C=N\NC(=S)Nc3ccc(C)c(C)c3)c(-c3ccccc3)n2)cc1 1857811995 NJGBLJKBXFHVLV-YUMHPJSZSA-N 439.588 5.785 30 10 IKEE CC(C)c1ccc(-c2cc(C(=O)Nc3ccccc3C#N)nn2-c2cccc(Cl)c2)cc1 1859395922 AHKFDFNXVJIOGR-UHFFFAOYSA-N 440.934 6.440 30 10 IKEE N#Cc1c(NC(=O)CCCc2ccc(Cl)cc2)oc(-c2ccccc2)c1-c1ccccc1 1859650300 MURJAKSTGNZPQV-UHFFFAOYSA-N 440.930 7.100 30 10 IKEE CCCCCCCCNC(=O)[C@H](NC(=O)c1ccc2nc(C(C)C)[nH]c2c1)c1ccccc1 1861448325 XKSARUCUOCAWFU-XMMPIXPASA-N 448.611 5.634 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1cccc(OCC)c1 1862383226 JTDOZLVKDUQGJD-IBGZPJMESA-N 432.303 5.156 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1 1862394037 BNSSPBKLKCCIGV-SANMLTNESA-N 447.619 6.777 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@H]2c2ccccc2)cc1C 1862400541 HDEXJGUOXDWRCM-VWLOTQADSA-N 441.527 5.133 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(F)cc1 1862430176 DWRUWBYHVYEFQF-MMACOIQUSA-N 427.903 5.636 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@@H]1c1ccccc1F)c1ccccc1Cl 1862431044 YKROMGTYUUVVDU-JOCHJYFZSA-N 441.930 6.170 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862442779 VEYGIZQSDKHFFL-HXOBKFHXSA-N 431.919 5.988 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@H]1c1ccccc1F)c1cccc(Cl)c1 1862443089 NBJRFFQVIZIICT-QHCPKHFHSA-N 449.909 5.690 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc([N+](=O)[O-])cc1 1862448719 TWBSGELWBCEJKV-HXUWFJFHSA-N 442.899 5.407 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1cccc2ccccc12 1862460554 MRAMLQPRYKBCLG-QFIPXVFZSA-N 439.433 5.491 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccccc1Br 1862496243 GEQVPWAAMHCUEV-YWZLYKJASA-N 442.353 5.443 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccc(F)c2)ccc1F 1862502427 ZQYZNKLEJRDNHM-HXUWFJFHSA-N 425.456 5.113 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2C2CC2)cc1 1862540814 WVICWLDBPJGALK-DEOSSOPVSA-N 433.548 5.559 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2ccccc2C)c1 1862589142 FQHAZLJXWRQEHU-DEOSSOPVSA-N 427.500 5.096 30 10 IKEE O=C(C1=C(O)C(=O)N(C23CC4CC(CC(C4)C2)C3)[C@@H]1c1ccc(F)cc1)c1cccc(O)c1 1862590278 FQLPMSHSPGCQRM-PHDLEGTPSA-N 447.506 5.078 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2[C@H](C)CC)c1 1862655711 NUXHGOXMQHREDS-IQGLISFBSA-N 443.543 6.005 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1c(Cl)cccc1Cl 1862659009 XYMBQKMXHCVMKS-OAQYLSRUSA-N 440.326 6.135 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(OC)c(O)c1 1862666211 YOJPRWAQDWKSQM-QHCPKHFHSA-N 437.536 5.293 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@H]1c1ccc(F)cc1)c1ccc(F)cc1 1862673880 QIDBHQSVOFHHFF-QHCPKHFHSA-N 433.454 5.176 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(Cl)c1 1862759219 MHBLTAXYCXZKBX-GOSISDBHSA-N 449.290 5.136 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(F)cc3)C2=O)cc1Cl 1862766912 MPRDUDAUQGGBSJ-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE Cc1cc(NC2=C(c3ccc(F)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)ccc1C(C)C 1862769164 VAIVWECTBWUUJM-UHFFFAOYSA-N 439.490 5.526 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2F)C(=O)N(CCc2ccc(C)cc2)C1=O 1863646056 JXSYVHVYTJCXPD-UHFFFAOYSA-N 436.571 5.407 30 10 IKEE CCCc1nc(Nc2ccccc2C#N)cc(N2CCO[C@@H](c3cccc(Cl)c3)C2)n1 1868398890 RZVHGRBMAUCIOF-OAQYLSRUSA-N 433.943 5.276 30 10 IKEE Cc1ccc(Cl)cc1-n1nnc(C#N)c1NC(=O)CCCOc1ccccc1C(C)C 1870158472 YNAGWTDXJGEEGM-UHFFFAOYSA-N 437.931 5.022 30 10 IKEE CCCCCCCOc1cn(CCCOCCCC)c(CSC(C)(C)C)cc1=O 1870252557 ZGBHJOMETCDHKU-UHFFFAOYSA-N 425.679 6.436 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(C)cc2)c(CN2C[C@@H](C)O[C@H](C)C2)cc1=O 1870416646 IGGGVENZLBKRCK-DHIUTWEWSA-N 440.628 5.163 30 10 IKEE CCCCCCCOc1cn(C[C@H]2CCCO2)c(CNc2cccc(Cl)c2C)cc1=O 1870833450 JQYDJTZJUMBTJV-OAQYLSRUSA-N 447.019 5.950 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1c(F)cccc1Cl)O3)CN([C@@H]1CCCC[C@@H]1C)CO2 1871351117 KSFAAOLTXYFSRA-ZPLCQEAQSA-N 441.930 6.134 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2cccc(F)c2)C3=O)c1 1871454140 IRLMEDXRSFEKBG-FMCGGJTJSA-N 431.463 5.385 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1cc(C)ccc1C 1872232754 HYFWXAQKEWWHDA-OAQYLSRUSA-N 449.016 5.331 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)CCCC 1872302073 AMTGOCBXUIOZMX-HXUWFJFHSA-N 429.026 5.154 30 10 IKEE N#C[C@@H](C(=O)/C=C/c1ccccc1Cl)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872762792 WRYDDDFXGVIRDF-PXTSUWAFSA-N 433.747 6.660 30 10 IKEE N#C[C@@H](C(=O)c1ccc(-n2cccc2)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872770611 ZTHCDXINEOOQFI-KRWDZBQOSA-N 438.339 6.398 30 10 IKEE CC(C)c1ccc(-c2csc([C@@H](C#N)C(=O)/C(=C\c3ccccc3)c3ccccc3)n2)cc1 1872776596 SPKPHMPWBAVDMC-XCGQMGKMSA-N 448.591 7.351 30 10 IKEE COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1OC 1872784229 QUYBEAIMSKFQDV-OAHLLOKOSA-N 442.924 5.288 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1C 1872787754 QTRRMIMVRVALMX-HNNXBMFYSA-N 441.896 5.487 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@@H](C#N)C(=O)c2cccc(Br)c2)n1 1872788470 JAQVVYQCBGEGJF-HNNXBMFYSA-N 447.741 5.725 30 10 IKEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2[nH]1 1872806303 GTAHZHYMWAVWBP-UHFFFAOYSA-N 433.895 5.612 30 10 IKEE CCCCCCCCCCNC1=C(c2cccs2)C(=O)N([C@H]2CCCC[C@@H]2C)C1=O 1873155909 MGLCOMNJTMCVPC-PMACEKPBSA-N 430.658 6.137 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(Cl)cc2C)=C(c2cccnc2)C1=O 1873269311 PIRROKNPGWQXOG-UHFFFAOYSA-N 425.960 5.596 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C(C)C)cc2)cc2c(NCCCN(CC)CC)ncnc21 1873626077 HOAYQYKWPAZSTM-UHFFFAOYSA-N 448.615 5.137 30 10 IKEE CCCCCCCCCCNC(=O)CCC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 1873936873 QNOMCXMSFCXYLC-UHFFFAOYSA-N 429.580 5.229 30 10 IKEE CCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1cccc(OCC)c1 1874245185 XHXMWQKDJZZEIU-YZSQISJMSA-N 438.641 5.820 30 10 IKEE Cc1cccc(OCc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccncc2)c1C 1874322030 WOWAGJCCDVAMRF-MZJWZYIUSA-N 447.539 5.183 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2cccc(F)c2)n1/N=C/c1cccs1 1874361286 IIETYOZMXLOMAG-MFKUBSTISA-N 436.581 5.747 30 10 IKEE O=C(O)c1ccc(/C=N/n2c(SCc3ccccc3F)nnc2-c2cccs2)cc1 1874422469 NUSSBEQFUJXXDT-FSJBWODESA-N 438.509 5.018 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccccc2C)cc1 1874436452 BKOLUYKZQYXFIF-OVVQPSECSA-N 449.668 6.196 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)(C)C)n2/N=C/c2c(F)cccc2Cl)c1 1874438811 UXNHWDNNZTXOTH-LGJNPRDNSA-N 445.007 6.451 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3ccccc3F)nnc2[C@H]2CCCO2)cc1 1874446041 RHMRODDWKWQCGA-JAMLUQCHSA-N 440.544 5.232 30 10 IKEE C=C(C)CSc1nnc([C@H]2CCCO2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874446509 CYQAMGQRCQFEDF-BHSKHCGUSA-N 434.565 5.259 30 10 IKEE Clc1ccc(CSc2nnc([C@H]3CCCO3)n2/N=C/c2cccc(Cl)c2)cc1 1874449685 JIVDICUAQFOFIW-BYWZACNXSA-N 433.364 5.611 30 10 IKEE Fc1cccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C(F)(F)F)c1 1874462776 FQWOOJLFYOCMJE-KTZMUZOWSA-N 449.260 5.917 30 10 IKEE CCCSc1nnc(-c2ccco2)n1/N=C/c1ccc(OCc2ccccc2)c(OC)c1 1874467986 LIFSHHYRCNTJKP-PCLIKHOPSA-N 448.548 5.510 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CCC2)cc1 1874497057 RQPSHCIBBBTOFV-WPWMEQJKSA-N 442.588 6.272 30 10 IKEE COC(=O)COc1c(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc(Cl)cc1OC 1874569651 BWPKIOIABJXHBY-OUKQBFOZSA-N 436.891 5.464 30 10 IKEE COC(=O)COc1ccc(Br)cc1/C=C/C(=O)c1ccc2ccccc2c1 1874571491 QDCRLJKEYHMXAR-CSKARUKUSA-N 425.278 5.050 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OCC(=O)NCc1ccco1 1874597385 IXPHNDOQHGZHND-WUXMJOGZSA-N 433.504 5.003 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)c(OC)c1 1874599022 QXQJWLPBCYBIKD-WUXMJOGZSA-N 449.459 5.096 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Br)c(OC)c(Br)c2)cc1 1874613591 CHDWROFVCWKTOL-RUDMXATFSA-N 440.131 5.515 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)ccc1OCc1cccc(Cl)c1 1874623855 YWECKNPGCXXDRK-JXMROGBWSA-N 440.898 6.362 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OCc1cc(C)ccc1C 1874637989 CKOMLRQPIWPDOM-UXBLZVDNSA-N 441.354 7.094 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(-c4ccccc4)cc3)c2)c1 1874692924 DKCJRPXCLFFWQI-LFIBNONCSA-N 432.519 7.086 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OC(=O)c1cc(Cl)ccc1OC 1874702639 BSJXJXPMZSMREJ-IZZDOVSWSA-N 436.891 5.781 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)CCc3ccccc3)c2)c1 1874704508 SLSQQVQAHHXQQN-UKTHLTGXSA-N 446.499 5.147 30 10 IKEE CCc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3cc(OC)ccc3OC)ccc2OC)cc1 1874706768 YJBGODSLOJMGLS-MDWZMJQESA-N 446.499 5.390 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C(C)C)cc3)c2)c(OC)c1 1874709316 ARSYTXXKEUYFJS-OVCLIPMQSA-N 444.527 5.871 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(Cl)cc3)c2)c1C 1874711086 PSOCNOGYTBVDDY-JLHYYAGUSA-N 432.947 6.618 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cccc(OC(=O)Cc2cc(C)ccc2C)c1 1874713201 KOONVAFLUKUMBZ-VAWYXSNFSA-N 428.528 5.973 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3[nH]c4ccc(C)cc4c3C)c2)c(C)c1 1874716496 VJIDPVPNVCLLSU-ZRDIBKRKSA-N 437.539 6.825 30 10 IKEE CCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1Br 1875098264 AKVRABGCLANUDS-RMKNXTFCSA-N 433.298 5.068 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)C(F)(F)F)c(OC)c2)cc1 1875106744 ISGBSUNKPFWKEP-FMIVXFBMSA-N 436.426 5.410 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cnccn3)c(OCC)c2)cc1 1875107914 PFDRFZSWUJZLES-UKTHLTGXSA-N 430.504 5.333 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc(F)c(F)c1 1875110423 KLOCBSVYVNQBPJ-UXBLZVDNSA-N 428.818 5.742 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C2CCCC2)c(Br)c1)c1ccccc1Cl 1875113190 APIXNFSIJGFRBL-PKNBQFBNSA-N 433.729 6.094 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1 1875116545 HBRSVPDZICUIQC-CXUHLZMHSA-N 445.471 5.564 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC(=O)Cc1cc(C)ccc1C 1875125768 ZNXLMVHKJTVULH-WUXMJOGZSA-N 434.919 6.010 30 10 IKEE CCCCCCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(C)cc2)cc1OC 1875132651 XGIKZLVHNKQNGF-DTQAZKPQSA-N 442.983 7.209 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3C)c(OC)c2)cc1 1875139130 SDAFKMDTZJIPSZ-OQLLNIDSSA-N 430.500 5.908 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2)cc1OC 1875175673 AUYMXICRPKPHQY-MDWZMJQESA-N 430.500 5.365 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3)c(Cl)c2)c(OC)c1 1875178608 SEBXKKYPVXLPHR-QDEBKDIKSA-N 440.854 5.612 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)cc(Cl)c1OC(=O)C1CCC1 1875188979 RZZNEFYYEMVEJU-VQHVLOKHSA-N 449.330 6.002 30 10 IKEE C=CCn1c(C(=O)N(CCCC)CCCC)cc2c(NCCCOCCCC)ncnc21 1875228163 CKPNZMCZSBWOMK-UHFFFAOYSA-N 443.636 5.278 30 10 IKEE C=CC1(Oc2ncc(Br)c3ccsc23)CCN(C(=O)OC(C)(C)C)CC1 1903449942 ZYJAIZGTMATGBH-UHFFFAOYSA-N 439.375 5.393 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](NC(=O)OC(C)(C)C)c1cccs1 1922079031 BNSNCSZWEILBLR-FGZHOGPDSA-N 430.614 5.455 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1926494782 ZCROMVOMAGGSPK-QRQCRPRQSA-N 435.952 5.231 30 10 IKEE CC1(C)OB([C@H]2CCCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)OC1(C)C 1933574764 OJXWTLNUKYDYEP-SFHVURJKSA-N 433.357 5.494 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C1 1944698497 RTHCBZKWPUWGGO-LPHOPBHVSA-N 449.979 5.621 30 10 IKEE CCN[C@@H](CC#CC1CCCCC1)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1946524195 WWVYRQUEOJNURM-ZEQRLZLVSA-N 428.617 5.048 30 10 IKEE Cc1cc(Br)sc1[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2039289761 IFHCFEZXHUPUKI-HNNXBMFYSA-N 427.408 6.344 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Br)c(Cl)c1 2041574275 KJJRNBAWLNHWQB-DLBZAZTESA-N 429.786 5.060 30 10 IKEE CCN[C@@]1(C#N)C[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)C[C@@H](CC)C1 2055024751 BDIMGQIMPMCLKS-FQLPYIGMSA-N 432.656 5.071 30 10 IKEE CC(C)(C)c1nn(-c2cc(C(F)(F)F)ccc2F)c(Br)c1C(F)(F)F 2079694515 RAFZOSAXXQEFNG-UHFFFAOYSA-N 433.165 6.109 30 10 IKEE CC[C@@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C2CCC2)c(C=NO)c1Br 2080006986 SPBLCPKEPQPOSA-HNNXBMFYSA-N 448.258 5.879 30 10 IKEE C=C(COCc1ccccc1)[C@H](CCC1CCC(NC(=O)OC(C)(C)C)CC1)NCCC 2084627862 OWZPIKOLZNJCBV-DWJCEPTDSA-N 444.660 5.991 30 10 IKEE Cc1ccc(Br)cc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 2098576794 WKSGKXGHIWJWMM-GOSISDBHSA-N 435.749 6.417 30 10 IKEE Cc1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)ccc1Cl 2107697758 NJXXZWKGXXXNTJ-GOSISDBHSA-N 435.749 6.417 30 10 IKEE C=CCCCC[C@H](NCCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2123080350 MMBOFCYANQWRHK-SFHVURJKSA-N 425.411 6.583 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@](C#N)(Nc1ccccc1Br)C2 2155262984 HUVDTIQTCUUDJR-NRFANRHFSA-N 434.378 5.325 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(CNc3cc(Br)cc(F)c3C#N)CCC[C@@H]12 2163692775 QQNGJUOOBLFBAO-YLJYHZDGSA-N 438.341 5.051 30 10 IKEE CCN(c1cc(Br)cc(F)c1C#N)C1CCC(NC(=O)OC(C)(C)C)CC1 2174811797 CJQCKKCAXNILPO-UHFFFAOYSA-N 440.357 5.122 30 10 IKEE CN(C(=O)OC(C)(C)C)[C@@H](CNc1ccc(Br)cc1C#N)c1ccccc1 2175023042 RZAHOOBBUMPQGK-IBGZPJMESA-N 430.346 5.341 30 10 IKEE CN(C(=O)OC(C)(C)C)[C@H](CNc1cccc(Br)c1C#N)c1ccccc1 2175023685 ZUTPETHMHAJBBX-LJQANCHMSA-N 430.346 5.341 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(Nc2cccc(Br)c2)C[C@H]1C1CCC1 2194184560 CEYGDRZWNPMKGL-GHTZIAJQSA-N 434.378 5.323 30 10 IKEE CC(C)(C)OC(=O)NCCCc1ccccc1Nc1cc(Br)ccc1C#N 2207174839 NEPDFILWTLMEFX-UHFFFAOYSA-N 430.346 5.522 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1sc(C)c(C)c1Br 2229310408 YVRPWMDFSGPAMR-RDJZCZTQSA-N 443.451 5.475 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@H](C#N)c1c(F)ccc(Br)c1F 2231248030 CQHFRUDLRHATCC-OAHLLOKOSA-N 429.305 5.862 30 10 IKEE CC(C)[C@@H](CCNC(=O)OC(C)(C)C)CC[C@@H](O)C#Cc1ccccc1Br 2235740250 NNBBYMALGRGIHM-IEBWSBKVSA-N 438.406 5.129 30 10 IKEE CCc1ccc(C#CC(=O)c2ccc(NC(=O)OC(C)(C)C)c(Br)c2)cc1 2239607680 VEJIFDAHKWTHRD-UHFFFAOYSA-N 428.326 5.593 30 10 IKEE C=CC[C@](C)(CNC(=O)OC(C)(C)C)COc1nc2ccc(Br)cc2s1 2278951607 DVJGZABFKQPMRP-LJQANCHMSA-N 441.391 5.545 30 10 IKEE COc1cc(O)ccc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2282785072 YWVNQWUBDFIFLE-KRWDZBQOSA-N 433.302 5.170 30 10 IKEE O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](c2ccccc2)C1=C(O)C=Cc1ccccc1 2296256028 PGNHDAYBGSOACL-QHCPKHFHSA-N 449.428 5.888 30 10 IKEE C#CCOc1c(Cl)cc(C=C2SC(=Nc3cc(C)cc(C)c3)NC2=O)cc1OCC 2297462952 KODLHJUTWZDHFO-UHFFFAOYSA-N 440.952 5.259 30 10 IKEE Cc1ccc(C)c(COc2ccc3c(c2)OC(=Cc2ccc(-c4ccccc4)cc2)C3=O)c1 2314437418 LXADTHXEGOGCNJ-UHFFFAOYSA-N 432.519 7.166 30 10 IKEE CN[C@H](C#C[C@@H]1CC1(C)C)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2317331632 WVTYWDCBSPDJSO-CLJLJLNGSA-N 425.572 6.155 30 10 IKEE CC(C)[C@H]1C[C@@H](Nc2ccc(C#N)cc2Br)CN1C(=O)OCc1ccccc1 2321266616 YNUNHIUFRKMNKV-WIYYLYMNSA-N 442.357 5.168 30 10 IKEE CCCCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1cn(CC)c2ccccc12)C3=O 2322083201 GLNLXLVVYDCZKM-UHFFFAOYSA-N 444.575 6.318 30 10 IKEE CCc1ccc(OCCCc2nnc(S)n2N=Cc2ccc(Cl)cc2Cl)cc1 2322217878 JDKGECGBLDRDIB-UHFFFAOYSA-N 435.380 5.330 30 10 IKEE COc1cccc(C=C2Oc3c(ccc4c3CN(C35CC6CC(CC(C6)C3)C5)CO4)C2=O)c1 2322238507 IRROHDJXBACMHU-UHFFFAOYSA-N 443.543 5.432 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(F)cc1)C3=O)CN(Cc1cccc(Cl)c1)CO2 2322424182 ZCZXQGSGXHZMCQ-UHFFFAOYSA-N 435.882 5.756 30 10 IKEE COc1cccc(C=CC(=O)c2ccccc2Cl)c1OCC(=O)Nc1cc(C)cc(C)c1 2322437131 RRHSXUOHLAJJQQ-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE O=C(C=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12)c1ccc([N+](=O)[O-])cc1 2322474591 MZTQTSHQUAMAKK-UHFFFAOYSA-N 427.431 6.362 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C)cc2C)c1OCc1nc(O)c2ccccc2n1 2322575317 RLJNYNVEBRNBLL-UHFFFAOYSA-N 440.499 5.436 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2c(OCc3ccc(C)cc3)ccc3ccccc23)cc1 2322607355 DHLBHUCZDKDOBM-UHFFFAOYSA-N 436.551 7.412 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1 2322609684 HBIKDIQAQPGDPQ-UHFFFAOYSA-N 441.354 7.257 30 10 IKEE COc1ccccc1C(=O)Oc1ccc2c(c1C)OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2322698819 JWLKQEFUOWBLTO-UHFFFAOYSA-N 442.511 6.137 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Br)ccc2OCc2ccccc2C)cc1C 2322886612 LWDRXRCTPWBWLJ-UHFFFAOYSA-N 435.361 6.849 30 10 IKEE C=C(C)COc1c(OC)ccc(C=CC(=O)c2ccc(OC)c(OC)c2)c1Br 2323057362 DSYJJKRNKRFGBE-UHFFFAOYSA-N 447.325 5.326 30 10 IKEE Cc1ccc(CCC(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)cc1 2323081524 PMMWBVDAMABEKC-UHFFFAOYSA-N 443.455 5.366 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(OC)c(OCC(=O)OCCC)c(OC)c2)cc1 2323536634 SZMWPZANPZHKPX-UHFFFAOYSA-N 440.536 5.275 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccccc1)C2=O 2325141950 AEVIHLCUENEGNF-IBGZPJMESA-N 427.500 5.634 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1N=Cc1c(OC)ccc2ccccc12 2325547092 LSLFFYPXURWZER-UHFFFAOYSA-N 430.577 5.875 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccc(Br)cc1 2325547194 MWTOUNKCMJNNLO-UHFFFAOYSA-N 429.387 5.476 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccc(Cl)cc4C)c3C)C2=O)c1 2325716753 RRHIOMKOBDXFCV-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(C=CC(=O)c3ccc(OC)cc3)ccc2OC)c1 2325718578 DMLVPBDZRHXOQD-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)c2)cc1 2325719725 ZMFBJBGQUGGRJR-PKTZIBPZSA-N 432.903 5.954 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4C(C)C)ccc3C2=O)cc1 2325726135 QJERMXZOOUOORP-UHFFFAOYSA-N 441.527 6.006 30 10 IKEE O=C(COc1cc(Cl)ccc1Cl)Oc1cccc(C=CC(=O)c2ccccc2)c1 2325732720 IHDQGXKSPGVEEZ-UHFFFAOYSA-N 427.283 5.874 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(OC(C)=O)cc3)c2)cc1 2325734775 NCCCVHKDZCKHQI-UHFFFAOYSA-N 430.456 5.126 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1OC(=O)c1c(F)cccc1Cl 2325751037 KTNHPTPFDKLOJD-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2cccc(OC(=O)CSc3ccccc3)c2)c1C 2325756978 FKAOCNDWKGHWBX-UHFFFAOYSA-N 430.569 6.514 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)[C@@H](C)Oc3ccc(Cl)cc3)c2)c(C)c1 2325764697 PKVIYWKISHMUTL-HXUWFJFHSA-N 448.946 6.534 30 10 IKEE Oc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccccc2)cc1Cl 2326228941 NXWUSAJLTXPNFC-UHFFFAOYSA-N 448.979 5.597 30 10 IKEE COc1cccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccc(C)cc2C)c1 2326461296 ZZLMOASGOZNQGB-UHFFFAOYSA-N 442.588 5.669 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@H](C#N)[C@]12C[C@H](CCN1C(=O)OC(C)(C)C)C2 2326630233 BNLGRZJGDIQZPR-XKPFWTEKSA-N 445.535 5.249 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1ccc(C(C)(C)C)cc1 2326683346 ABCCZRSTIQBOFJ-UHFFFAOYSA-N 431.609 5.964 30 10 IKEE C=C(C)CSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccccc1OC 2327749700 LYPSQUCMZDCTJD-UHFFFAOYSA-N 428.561 5.581 30 10 IKEE Cc1cccc(C=Nn2c(SCc3ccc(F)cc3)nnc2-c2ccccc2Cl)c1 2329539168 HHSQRQPNZJDACG-UHFFFAOYSA-N 436.943 6.221 30 10 IKEE Cc1ccc(C=Nn2c(Cc3ccc(C)cc3)nnc2SCc2cccc(F)c2)cc1 2329961299 YPDIXYLXOKCXPA-UHFFFAOYSA-N 430.552 5.799 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3F)n2N=Cc2ccc(O)cc2)cc1 2329995151 HLKWSHFRSYEBFQ-UHFFFAOYSA-N 432.524 5.197 30 10 IKEE Cc1ccc(CSc2nnc([C@@H](C)c3ccccc3)n2N=Cc2ccc(O)cc2O)cc1 2330050862 NREWCQMPJPMOCE-SFHVURJKSA-N 444.560 5.324 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCCc2ccccc2)n1N=Cc1ccc(F)cc1 2330113225 UGESFERKBVCATK-IBGZPJMESA-N 430.552 5.786 30 10 IKEE COc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)C(F)(F)F 2330611733 OVLNKLRUKHDYIT-UHFFFAOYSA-N 426.390 5.726 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(C)c3)cc2)cc1 2330855663 UUQKTWGTOZPWIN-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE Cc1cccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccc(Cl)cc2Cl)c1 2330874153 CLBXWAXRRIDIFV-UHFFFAOYSA-N 447.435 6.656 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2[C@H]2CCCO2)cc1 2330965702 ULATUEIHOZXPSR-OAQYLSRUSA-N 441.000 6.081 30 10 IKEE C=CCSc1nnc([C@@H]2CCCO2)n1N=Cc1ccc(OCc2ccccc2C)cc1 2330974725 LKRVONYDBLHPPW-QFIPXVFZSA-N 434.565 5.177 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)c1ccccc1 2331128569 NILDXWCLQVFPKZ-UHFFFAOYSA-N 441.310 6.507 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)c1cnccn1 2331129536 ANMYKBZQDFXKKH-UHFFFAOYSA-N 443.286 5.297 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)c1ccncc1 2331155251 HSTRBTVLCPGZDC-UHFFFAOYSA-N 433.891 5.587 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cc(Cl)ccc2Cl)c(Cl)c1)c1ccccc1 2331165881 OSVKEAOZRYRSKL-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccco1 2331246615 GSEKSJOENPJALB-UHFFFAOYSA-N 431.271 6.100 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(OCC)c(OC(=O)CCC)c([N+](=O)[O-])c2)cc1 2331307202 QUYAOZOZRNQTPA-UHFFFAOYSA-N 441.480 5.384 30 10 IKEE COCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1cccc(F)c1 2331311228 GDTOUMFYAUIDGW-UHFFFAOYSA-N 439.343 5.087 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)c1ccc2c(c1)OCO2 2331326578 HQGABFCBTPAIRI-UHFFFAOYSA-N 444.483 5.546 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)c1ccc(F)cc1F 2331327396 BCNPHPAWFAEXIH-UHFFFAOYSA-N 436.454 6.096 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)COc1ccc(C)c(C)c1 2331329949 BDPQULSBOFJSAG-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3ccccc3F)nnc2C(C)(C)C)cc1 2331396855 IPWFXDBPLXXMBI-UHFFFAOYSA-N 426.561 5.678 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)cc2)c1 2331644781 YXWFQCPOOFCHIQ-UHFFFAOYSA-N 428.528 6.434 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C(C)C)cc1 2331702079 LCVKYSBDMJICAV-UHFFFAOYSA-N 443.016 6.408 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)COc1ccccc1 2331709651 XNNWEODZIRKMFN-UHFFFAOYSA-N 430.500 5.583 30 10 IKEE CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339582431 QEKKSUSBKXDKRO-YSSXYYCGSA-N 446.397 5.187 30 10 IKEE CCCCCCCCC(=O)Cc1ccc(I)c(Br)c1 2349904766 SHMHPUXMXPITIV-UHFFFAOYSA-N 437.159 5.916 30 10 IKEE CN(C[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2365108499 YNSYIUKVKOMRKI-QDEBQFNMSA-N 447.432 5.075 30 10 IKEE Cc1cc(COc2cc(Cl)cc(Br)c2)ccc1B1OC(C)(C)C(C)(C)O1 2369684838 WHHJIIUIJHCIGI-UHFFFAOYSA-N 437.570 5.289 30 10 IKEE Cc1ccc(NC(=S)N/N=C2\C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)cc1C 3041326 COOFCNRDBPOGIN-QYQHSDTDSA-N 448.979 5.194 30 10 IKEE Cc1ccc2oc(-c3cccc(/N=C/c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)c3C)nc2c1 3211217 WCBZWWZEGWRFIG-JFLMPSFJSA-N 437.455 7.030 30 10 IKEE CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1c[nH]c2ccccc12 5632731 XSKFMJMQCSSOAH-RUZDIDTESA-N 427.548 5.967 30 10 IKEE COc1ccccc1-c1nnc(SCc2ccccc2C#N)n1-c1ccc(Cl)cc1 10243140 RFNDANTWDKIEOK-UHFFFAOYSA-N 432.936 5.760 30 10 IKEE COc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc([N+](=O)[O-])cc1 20884443 YRNZEJCDUBQTLI-QUGAMOGWSA-N 441.487 5.583 30 10 IKEE O=C1/C(=C\c2c[nH]nc2-c2ccc(F)cc2)CS/C1=C/c1c[nH]nc1-c1ccc(F)cc1 33247653 JTEOEBVHCGDKMH-LOPINWJQSA-N 446.482 5.485 30 10 IKEE CCOc1ccc(Br)cc1/C=C1/S/C(=N\c2cccc(Cl)c2)NC1=O 33348159 GIXPQIOBZPHESM-CXUHLZMHSA-N 437.746 5.393 30 10 IKEE Cc1c(Cc2ccc3c(c2)OCO3)sc(NC(=O)/C=C/c2ccccc2Cl)c1C#N 33401067 RTGLYNJVWOHQMS-VQHVLOKHSA-N 436.920 5.553 30 10 IKEE CCCOc1ccc(C(=O)/C(=C\c2cccc(OC)c2OC)c2nc3ccccc3o2)cc1 33442603 AKXGPZLJNZNMHN-HEHNFIMWSA-N 443.499 6.057 30 10 IKEE N#Cc1c(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)oc(-c2ccccc2)c1-c1ccccc1 33809793 RAXFLYZGGHWNBB-QFIPXVFZSA-N 434.451 5.205 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccco2)c1 34933110 CWOFUKBMXUMWMH-OAQYLSRUSA-N 437.879 5.110 30 10 IKEE C=CCN(Cc1csc(COc2cc(C)cc(C)c2C)n1)C(=O)c1ccc(OC)cc1 36106144 MKPQZMPUSMEADH-UHFFFAOYSA-N 436.577 5.484 30 10 IKEE C=C(C)Cn1c(C(=O)NCCc2ccccc2OC)cc2sc(Br)cc21 37543284 LWWUQRMFSGLZIB-UHFFFAOYSA-N 433.371 5.023 30 10 IKEE CC(=O)C1=C(C)N(Cc2ccccc2)[C@@]2(SC(C)=NN2c2ccc([N+](=O)[O-])cc2)S1 59121832 BAUYVDKAVXMCSM-OAQYLSRUSA-N 440.550 5.162 30 10 IKEE O=C(CSc1nc2ccc(/N=C/c3c(O)ccc4ccccc34)cc2s1)NC1CC1 59517526 ZKKKYNIELODCBO-WYMPLXKRSA-N 433.558 5.276 30 10 IKEE O=C1/C(=C\c2cc(Cl)cc(Cl)c2O)S/C(=N/c2ccccc2)N1c1ccccc1 100455934 RNTWUJDCCSQWMC-SGFRRPFJSA-N 441.339 6.508 30 10 IKEE CCCCCCCc1c(C)nn(C(=O)CCCOc2ccc(Cl)cc2Cl)c1C 100458455 UKNNHBPSMYJRNZ-UHFFFAOYSA-N 425.400 6.819 30 10 IKEE CCCCCCCCn1c([C@H](Sc2ccccc2)c2ccccc2)nc2ccccc21 101262302 NTPJDCGYVLLCBF-HHHXNRCGSA-N 428.645 8.279 30 10 IKEE CCCCCCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccccc1OCC 101285166 AIUDAQDZMIUZIS-RUZDIDTESA-N 447.579 6.238 30 10 IKEE CC(C)N1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N/c1ccc(SC(F)F)cc1 105758082 ILSGGCLLEHRKLD-UFGLDMCJSA-N 449.548 5.370 30 10 IKEE COC1=CC(Br)=C/C(=C/Nc2ccc3oc(-c4ccccc4F)nc3c2)C1=O 136029876 BWEYPDWOADRFNI-QXMHVHEDSA-N 441.256 5.322 30 10 IKEE CC(=O)O[C@H]1CC[C@@]2(C=O)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 136278612 FGMFMYIBGXDVFC-OUBJHZQFSA-N 442.684 7.139 30 10 IKEE CCOc1cc(/C=N/Nc2ccc(C)cc2)ccc1OCc1c(Cl)cccc1Cl 169877563 CFSQXWUFSAZNCA-VULFUBBASA-N 429.347 6.726 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\n2c(S)nnc2-c2ccco2)cc1Cl 169913294 PDPQONSMXYXJMW-JLPGSUDCSA-N 447.004 6.492 30 10 IKEE CC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1cccc(OCc2c(Cl)cccc2Cl)c1 169936838 DHXSYHXLOYLGHZ-FQEVSTJZSA-N 435.376 5.296 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1c1cccc(C)c1 169941723 VOASJQMBHWMKSE-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccc(O)cc2)c1 169959096 SFDXVMLQOXUDAL-VWLOTQADSA-N 427.500 5.111 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2cccc(C)c2)c1 169966140 KZGIVKPIEZLLJT-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2C2CCCC2)cc1 170033661 KLXCRBSQLISWOI-HSZRJFAPSA-N 435.520 5.005 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1cccc(C)c1 170147625 XRNMWSVHFOEBPP-JOCHJYFZSA-N 433.504 5.518 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 170149991 FNBIRPSHWWSXNR-NRFANRHFSA-N 441.955 5.634 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1cccs1 170156407 BCDZFUBJZIRRAW-FQEVSTJZSA-N 439.920 5.501 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccs2)c(C)c1 170160883 FPKZZPWAIDCOKB-MWTRTKDXSA-N 445.540 5.471 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(OCC)c1 170218061 UBZGHCKUMZTKNS-LJQANCHMSA-N 434.319 5.380 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccccc2)cc1 170225217 STANSWFKBKMKAY-DEOSSOPVSA-N 427.500 5.485 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccccc1 170227415 MCCARWOAJNCNAF-RUZDIDTESA-N 439.511 5.357 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1 170231353 PKFWUMKPGPLYCB-XMMPIXPASA-N 447.575 5.904 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2C2CCCC2)cc1 170246179 XEBHUFUXTXSGMT-DEOSSOPVSA-N 429.516 6.077 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C2CCCC2)cc1 170246280 IPVJIIQMVJYMDM-QHCPKHFHSA-N 433.504 5.060 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2C2CCCCC2)cc1 170266776 UAHWFMBOZZWUIR-QHCPKHFHSA-N 437.511 5.308 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccco2)cc1 170279773 KDSYNXVEMFZKRS-NRFANRHFSA-N 437.517 5.154 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1ccco1 170288040 VKIXXKPRXVFTHW-QHCPKHFHSA-N 445.515 5.677 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1cccc2ccccc12)c1ccco1 170370324 GLLHOYHAXHRANB-QFIPXVFZSA-N 429.859 5.869 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccccc1)c1cccs1 170374146 XBPDMIVIGIOBLP-GOSISDBHSA-N 440.318 5.294 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc3c(c2)OCO3)cc1 170378902 QIIZNDJHOFCHKE-XMMPIXPASA-N 441.483 5.322 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 170471060 FOOFGUUREZCHGU-DEOSSOPVSA-N 435.564 5.504 30 10 IKEE CCCCCCCCNc1nc(NCCCCCCCC)nc(Nc2ccc(C)cc2)n1 197210563 UMLLCNUARWTBLE-UHFFFAOYSA-N 440.680 7.468 30 10 IKEE N#CCCCOc1cccnc1NC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1ccccc1 209646593 GEKIQDGWXCFOJQ-NXVVXOECSA-N 449.514 5.269 30 10 IKEE CCOc1ccc(N2C(=O)C(=O)/C(=C(O)\C=C/c3ccccc3)[C@@H]2c2ccccc2)cc1 229181637 RWRNKYRPZNKWEG-LBVLVLHSSA-N 425.484 5.268 30 10 IKEE COc1ccc(OC)c(/C=C2\SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)c1 252607005 GXMBUPUSJQJUTO-ZYITZIQLSA-N 430.529 5.508 30 10 IKEE C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)C(=O)/C(=C\c3cccc(Cl)c3Cl)C[C@H]12 253560232 ANTLLZHQDMIOLB-ORQXBYLTSA-N 447.446 6.959 30 10 IKEE CCNc1ccc(C#N)cc1N=C1S/C(=C2\Sc3ccccc3N2CC)C(=O)N1CC 254313504 UGQCCWISLYGAJD-LEXHRDEDSA-N 449.605 5.374 30 10 IKEE CCCCCCC[C@H](NCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 406971038 TVXXKMOXTKINCE-SFHVURJKSA-N 427.427 6.807 30 10 IKEE COc1ccccc1[C@H]1C(c2cccc3ccccc23)=C(O)C(=O)N1c1ccc(C#N)cc1 526489978 CKPISHHXCFZAMR-SANMLTNESA-N 432.479 5.777 30 10 IKEE CC(C)COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccc(O)c2)cc1 526515600 IQKYYRCWIQORMZ-VWLOTQADSA-N 440.499 5.356 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccc(OC)c2)c1 526604794 QASZLTFYELSLSE-RUZDIDTESA-N 440.499 5.413 30 10 IKEE Cc1ccccc1/C=N\n1c(CCc2ccccc2)nnc1SCc1cccc(Cl)c1 526812780 LLDPQTRXGNFESI-PKAZHMFMSA-N 447.007 6.200 30 10 IKEE COc1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 586242362 YNWLXNWKVXAYAD-UHFFFAOYSA-N 447.343 5.269 30 10 IKEE C[C@H]1C[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C 698373080 DDAJKCSFVYDHRT-MHECFPHRSA-N 429.561 5.105 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)c1 698471447 UDJHKZHPUCOKRS-HOYKHHGWSA-N 429.561 5.276 30 10 IKEE CC(C)[C@H]1CC[C@@H](C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 698481011 CIFFIFMDUYTPKG-PERKRYKHSA-N 435.406 6.545 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@H](C#N)c1ccc(OCc2ccccc2)cc1 698942570 VOLPVXRKQJKRIW-XMMPIXPASA-N 448.950 6.925 30 10 IKEE Cc1cc(Br)ccc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 698987117 HBHWATOFOLTLLS-SFHVURJKSA-N 435.749 6.417 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 724025786 FIALLPDXEVPKFZ-MZNJEOGPSA-N 445.560 5.166 30 10 IKEE Cc1ccc(NS(=O)(=O)c2ccc(N=Cc3c(O)ccc4ccccc34)cc2)c(C)c1 1083993948 JJMKTVAWHZZPJD-UHFFFAOYSA-N 430.529 5.714 30 10 IKEE CC(=NN1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 1084197985 PGBFSGQQHSERNN-DEOSSOPVSA-N 438.358 5.761 30 10 IKEE CN(c1ccccc1)c1ccc(C=NNc2ccc(I)cc2)cc1 1084309772 GTDVKDZRPMVWSG-UHFFFAOYSA-N 427.289 5.505 30 10 IKEE COc1ccc(C=Nc2nc(-c3ccc(OC)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 1084517752 RDQHDBDUWQXPCU-UHFFFAOYSA-N 445.500 6.153 30 10 IKEE C[C@@H]1CC(=Nc2ccc(C(F)(F)F)cc2)c2cc(F)ccc2N1C(=O)c1ccc(F)cc1 1088670929 PIAXDIHRDQGADK-CQSZACIVSA-N 444.403 6.543 30 10 IKEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc3nc(O)n(C(C)C)c3c2)cc1 1542683775 CBAXHNOKOGGYFD-UHFFFAOYSA-N 442.475 5.248 30 10 IKEE COc1ccc(/C=N\N=C2/S/C(=C\C=C\c3ccccc3)C(=O)N2Cc2ccco2)cc1 1554646136 KUPJGBXNIUANKL-ZTLPJJGOSA-N 443.528 5.351 30 10 IKEE C=C(C)CN(CC(=O)Nc1nc(-c2ccccc2)c(C(C)C)s1)Cc1ccc(CO)o1 1617860651 VJYZVORXADRGKP-UHFFFAOYSA-N 439.581 5.036 30 10 IKEE CN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)SC1=Nc1ccccn1 1772730685 RJAHTZUXOUGMFO-CXJFQJJYSA-N 435.936 5.548 30 10 IKEE N#Cc1ccc(COc2cccnc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 1858865783 LUXQIIBGJBWHOK-UHFFFAOYSA-N 428.370 5.075 30 10 IKEE Cc1cccc(Cn2nc(C(=O)Nc3ccccc3C#N)cc2-c2cccc3ccccc23)c1 1859392806 KNEMBQOLJWLANW-UHFFFAOYSA-N 442.522 6.184 30 10 IKEE N#Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)n(-c3ccccn3)n2)cc1 1859406328 QRLXWIRUGPIQCI-UHFFFAOYSA-N 434.286 5.365 30 10 IKEE N#Cc1ccc(NC(=O)c2nn(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)c2Cl)cc1 1859414174 DVWGIHMBPWLXDW-UHFFFAOYSA-N 443.850 5.225 30 10 IKEE Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)c3csc(C(C)C)n3)cc(C)c2c1 1859750603 JETDXSYMBGHNPI-UHFFFAOYSA-N 430.537 5.050 30 10 IKEE N#Cc1c(-c2ccccc2)ccnc1NCc1cccc(-c2nc(-c3ccccc3)cs2)c1 1859807089 TXZSMWRBIJAPBG-UHFFFAOYSA-N 444.563 7.023 30 10 IKEE C=CCN(C(=O)CCCOc1ccc(Cl)cc1Cl)C1CCC(C(C)(C)C)CC1 1860017585 KLRAZZYYPDHKRZ-UHFFFAOYSA-N 426.428 6.772 30 10 IKEE CCC(CC)C(=O)Nc1cccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1 1860089616 JBNQUHGPKWMHIK-HNNXBMFYSA-N 439.581 5.137 30 10 IKEE Cc1ccc(-c2csc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n2)c(C)c1 1860800347 DVNIADWUWPCBFH-UHFFFAOYSA-N 439.631 5.970 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)COc1ccc(Cl)c(C)c1 1861639564 SBMRBRKPBJACDI-NRFANRHFSA-N 425.013 5.179 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cccc(O)c1)c1ccc(Cl)cc1Cl 1862383897 YNGYCKBSRFSINQ-HXUWFJFHSA-N 446.330 5.610 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2c(F)cccc2Cl)cc1C 1862405014 KBEKSWXLNFHQKF-OAQYLSRUSA-N 443.902 5.317 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(CC)cc1 1862414016 PYGRBTYUXHKGFY-JOCHJYFZSA-N 427.491 5.686 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cccc2ccccc12)c1cccc(Cl)c1 1862449247 GXHKFKZMZVAXOA-XMMPIXPASA-N 445.946 6.404 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccccc1Cl 1862463431 HBZZQEZUCHVRPS-LJQANCHMSA-N 437.845 5.526 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862488860 JYZOIJCIGGTECT-AREMUKBSSA-N 439.555 5.953 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(C(C)(C)C)cc1 1862494210 IDZBXYXTLKNOHD-RUZDIDTESA-N 447.619 6.760 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862510788 HZWAYCWQHRSMPH-OPAMFIHVSA-N 425.500 5.300 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2cccc(OCC)c2)cc1 1862519579 NLOBXEZVIYWKQF-HXOBKFHXSA-N 437.536 5.251 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 1862531342 LSEVHPZCWXMKCD-ISKFKSNPSA-N 447.575 5.304 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccccc1Cl)c1ccc2c(c1)CCCC2 1862546162 RDKJQWNFVQWDAW-DEOSSOPVSA-N 449.978 6.130 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc2cc[nH]c2c1 1862594883 IPJJFOCGYVOPHO-VOIUYBSRSA-N 438.483 5.213 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccc(F)c2)cc1 1862617756 YBIDAHSHWOUIGE-JOCHJYFZSA-N 449.547 5.963 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccccc1 1862621189 KEFZPQUBGCDWPU-XXBNENTESA-N 435.520 5.353 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2cccc3ccccc23)cc1F 1862644538 NNZPBQSCZLQLDE-DEOSSOPVSA-N 447.506 5.612 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc(OCCC)c1 1862655652 MMQGDYMEPWFJMV-DEOSSOPVSA-N 427.500 5.393 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccccc1 1862660115 HZTLDKHQGBYFDE-ZCYQVOJMSA-N 433.592 6.747 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862664444 JHOVKEAFNKKYRZ-AREMUKBSSA-N 445.603 6.844 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@H]1c1ccc2cc[nH]c2c1)c1ccc(F)cc1 1862677762 FTIWKZNFKPUGTI-DEOSSOPVSA-N 444.506 5.776 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2ccc(F)cc2F)c1 1862701694 LISOQFBLYCXDLW-HSZRJFAPSA-N 449.453 5.060 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCCCN(C)C)c1 1862712849 BFOXFBKUPCBIRT-VWLOTQADSA-N 442.559 5.068 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(Cl)cc1Cl 1862720654 AVWUHAZEWLHGHO-NRFANRHFSA-N 438.310 5.911 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2OCC)=C(c2ccc(F)cc2)C1=O 1863138149 WUPXNUJRTPGNKY-UHFFFAOYSA-N 438.543 5.777 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@H](C)c2ccccc2)=C(c2cccs2)C1=O 1863808239 JKLWEWZRBFQRPY-HXUWFJFHSA-N 438.637 6.320 30 10 IKEE CCCCCCCCC(=O)Nc1scc(-c2ccc3c(c2)CCCC3)c1C(=O)OCC 1866090594 ZPZKGHANPYUTFS-UHFFFAOYSA-N 441.637 7.160 30 10 IKEE Cn1nc(-c2ccccc2F)c(C#N)c1NC(=O)c1ccc(-c2ccc3cnccc3c2)cc1 1866180876 DKIOLPSINVAZIO-UHFFFAOYSA-N 447.473 5.565 30 10 IKEE C=CCn1cc(OCCOc2cccc3ccccc23)c(=O)cc1CSc1ccccc1 1870311195 RFKFJQGQMFCBIR-UHFFFAOYSA-N 443.568 5.938 30 10 IKEE C=CCn1cc(OCC(=O)OCCCCC)c(=O)cc1CN(CCCC)CCCCCC 1870419143 PNLRUEOWFMEJBH-UHFFFAOYSA-N 448.648 5.329 30 10 IKEE CCCCCCCCCCn1cc(OCCCCC)c(=O)cc1CN1CCCCCC1 1870678785 LIRBJLIAQXRZQY-UHFFFAOYSA-N 432.693 6.934 30 10 IKEE C=CCOc1cn(CCCCCC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870813330 HBYQELZDGQSYAZ-UHFFFAOYSA-N 431.580 6.349 30 10 IKEE CCCCCCCCCCN=c1[nH]c(Nc2ccc(NC(C)=O)cc2)ncc1[N+](=O)[O-] 1871302783 ZJVZLJJMZNPUHH-UHFFFAOYSA-N 428.537 5.061 30 10 IKEE CCCCC[C@H](CC)N1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(Cl)cc1)C3=O 1871347492 BTXZKESORLCAQB-FVHJOOJJSA-N 439.983 6.775 30 10 IKEE COc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN(CCC2=CCCCC2)C3)C1=O 1871355117 SMTDJUQIGXLKTC-IWIPYMOSSA-N 431.532 5.662 30 10 IKEE COc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN(Cc2cccc(C)c2)C3)C1=O 1871359738 YOHIOYNALJNUMI-CFRMEGHHSA-N 427.500 5.280 30 10 IKEE Cc1c(OC(=O)c2ccc(Cl)c(Cl)c2)ccc2c1O/C(=C\c1ccccc1F)C2=O 1871372483 UIDTWCVPEDWOGB-JAIQZWGSSA-N 443.257 6.276 30 10 IKEE C=CCN(CC=C)Cc1c(O)cc(C)c2c1O/C(=C\c1cn(CC)c3ccccc13)C2=O 1871393497 QEIJVNFRTIYTAQ-IWIPYMOSSA-N 428.532 5.465 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(CN3CCOc4ccccc43)c(O)cc(C)c2C1=O 1871395937 DCAKKJPBGDANRK-IWIPYMOSSA-N 443.499 5.115 30 10 IKEE Cc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871403879 CANFTKXARHVNFR-APQFFPOMSA-N 441.527 6.141 30 10 IKEE C=CCN=c1nc(Nc2ccc(OCC)cc2)[nH]c(N(CCCC)CCCCCC)n1 1871529147 KPFQWHDFWBPNCG-UHFFFAOYSA-N 426.609 5.221 30 10 IKEE CCCCCCCCN=c1[nH]c(=NCCCCCCCC)[nH]c(=Nc2cccc(F)c2)[nH]1 1871739718 YVBRUBIPDTYWSS-UHFFFAOYSA-N 444.643 5.565 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(C)c(C)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1871912491 WKFPVDWBMIWHAI-XDHUDOTRSA-N 442.625 5.150 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1cccs1 1872009549 CMFORBNSJGPYNK-HXUWFJFHSA-N 448.654 5.420 30 10 IKEE C=CCN([C@@H](CCC)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1872230100 ARZDQYADBXAMQG-NRFANRHFSA-N 449.016 5.249 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(Cl)cc1C)[C@H](C)CC)S(=O)(=O)c1ccccc1 1872506885 HWPTYNJXVDDUGT-VGSWGCGISA-N 449.016 5.269 30 10 IKEE Cc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3c[nH]c4ccccc34)cs2)c(C(C)(C)C)c1 1872777832 XFCRPINUMRBRAF-SFHVURJKSA-N 443.572 6.153 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@H](C#N)C(=O)Cc3ccc(C)c(C)c3)n2)c1 1872780368 GRCSSXSBSNTDNZ-OAQYLSRUSA-N 434.561 5.643 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@H](C#N)C(=O)c3c(F)cccc3Cl)n2)c1 1872781268 QZAAMESBYSRRQW-OAHLLOKOSA-N 444.915 5.890 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)c2ccc(OCC(C)C)cc2)n1 1872785200 IDTCRMMRQYQDGX-HSZRJFAPSA-N 446.616 6.941 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)c2cc3ccccc3oc2=O)n1 1872785721 UPVQXPZMASJCOU-HXUWFJFHSA-N 442.540 6.013 30 10 IKEE CCCCCCCCNC1=C(c2cccc(OC)c2)C(=O)N(CCC2=CCCCC2)C1=O 1873047840 NZLFPVWXPQOOIP-UHFFFAOYSA-N 438.612 5.616 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H](C)c2ccccc2)=C(c2cc(F)cc(F)c2)C1=O 1873111949 APYUZNJBMVYAET-GOSISDBHSA-N 440.534 5.756 30 10 IKEE CCCOc1c(OC)cc(/C=N/Nc2oc([C@@H]3C[C@@H]3c3ccccc3)nc2C#N)cc1OC 1873471338 ZNCQJXOFDULTPA-CMGWFXLESA-N 446.507 5.069 30 10 IKEE N#Cc1ccc(Nc2nc(N3CCc4ccccc43)nc3c2cnn3-c2ccccc2)cc1 1873482046 DNGGGSCEDKKCFO-UHFFFAOYSA-N 429.487 5.125 30 10 IKEE CSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1cccc2ccccc12 1874224956 LIECQUYZALVTGX-YZSQISJMSA-N 430.577 5.664 30 10 IKEE C=C(C)CSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1cccc(OC)c1 1874246231 UDTJWNKCAHAJCI-PCLIKHOPSA-N 436.581 5.157 30 10 IKEE CSc1nnc(CCCOc2ccccc2C)n1/N=C/c1ccc(Cl)c(Cl)c1 1874248352 QPAOMERDHFNXLM-YDZHTSKRSA-N 435.380 5.509 30 10 IKEE Clc1ccc(CCc2nnc(SCCc3ccccc3)n2/N=C/c2ccncc2)cc1 1874283782 ZKXJUTPLWFQJSA-OVVQPSECSA-N 447.995 5.329 30 10 IKEE Cc1ccc(CCc2nnc(SCCc3ccccc3)n2/N=C/c2ccco2)cc1C 1874331398 LNYJTXBAFBWZQY-NLRVBDNBSA-N 430.577 5.490 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2cccc([N+](=O)[O-])c2)cc1 1874389366 NZISLDYOODCXNT-PCLIKHOPSA-N 443.532 5.260 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc4ccccc34)n2/N=C/c2ccncc2)cc1 1874390583 UNSQPJRXWHYVSG-RDRPBHBLSA-N 449.583 5.900 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@@H](C)c3ccccc3)n2/N=C/c2ccccc2O)c1 1874395548 PBNQBNKBWQJDSB-BJRSOBTISA-N 442.588 5.927 30 10 IKEE Cc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2[C@H](C)c2ccccc2)cc1 1874399616 ADRXHVCFUACSAD-LVBKAMOWSA-N 426.589 5.955 30 10 IKEE OCCCSc1nnc(CC2CCCCC2)n1/N=C/c1c(Cl)cccc1Cl 1874408832 RPAOQHPSEPRYOZ-LPYMAVHISA-N 427.401 5.064 30 10 IKEE C=C(C)CSc1nnc(Cc2ccccc2)n1/N=C/c1cc(Br)ccc1F 1874418062 WXVJVMWPDCQMDT-FSJBWODESA-N 445.361 5.321 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3cccs3)n2/N=C/c2ccc(N(C)C)cc2)c1 1874422649 XHAYKSWOXXCQMY-MFKUBSTISA-N 447.633 5.864 30 10 IKEE CCCSc1nnc(CC(C)(C)C)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874439434 ASBOIGOZAAGMNR-KOEQRZSOSA-N 436.581 5.470 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3ccccc3C)nnc2[C@@H]2CCCO2)c1 1874443799 LHHNNCYDVTYLFH-LWROZRRASA-N 436.581 5.401 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C2CCCC2)c(OC)c1 1874452872 RWLUFQYZHYBKRS-AFUMVMLFSA-N 440.544 5.267 30 10 IKEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(C)cc3)nnc2C2CCCC2)cc1 1874454803 VKHUDNUOBCDUGD-MFKUBSTISA-N 433.581 5.166 30 10 IKEE Oc1ccc(Cl)cc1/C=N/n1c(SCc2ccc(Cl)cc2)nnc1C1CCCC1 1874456275 JUJAMQWBUVTWBX-WYMPLXKRSA-N 447.391 6.123 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1/N=C/c1ccccc1C 1874480360 TXPOIFSQHXFYGR-MFKUBSTISA-N 435.597 5.159 30 10 IKEE CC(C)COC(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1ccc(Cl)cc1Cl 1874485957 VGUIPGJPRMFUDV-LSFURLLWSA-N 443.400 5.056 30 10 IKEE Cc1ccccc1CSc1nnc(CC(C)C)n1/N=C/c1cccc(Br)c1 1874488804 KDGYDYZNGIYCFY-YDZHTSKRSA-N 443.414 5.722 30 10 IKEE CCOc1c(/C=N/n2c(CC(C)C)nnc2SCc2cccc(C)c2)cccc1OC 1874489408 QAFDNEPXBPJLMU-MFKUBSTISA-N 438.597 5.367 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(CC(C)C)nnc1SCc1ccccc1F 1874489821 MSJKDRDEJFZRFP-JFLMPSFJSA-N 448.567 5.952 30 10 IKEE COc1cc(/C=N/n2c(SC)nnc2C2CCC2)ccc1OCc1ccc(Cl)cc1 1874491680 DJSCXFSZUFUNEC-ZMOGYAJESA-N 442.972 5.391 30 10 IKEE Cc1ccccc1CCc1nnc(S)n1/N=C/c1ccc(OCc2ccccc2C)cc1 1874562245 KMBHEPYCWXYDED-WPWMEQJKSA-N 442.588 5.430 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2C)cc1 1874579297 HAHXQIHFYQBTSL-ACCUITESSA-N 433.935 6.179 30 10 IKEE CCCNC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1cc(C)c(Cl)cc1OC 1874588790 FGTMFTLSBAQVRL-FNORWQNLSA-N 436.335 5.112 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1)Nc1ccccc1F 1874606063 SSDPCHMVDZFIDJ-KPKJPENVSA-N 444.289 6.046 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3ccc(C)cc3)c(OC)c2)cc1 1874613779 MXVZDSVUEPOPBR-XNTDXEJSSA-N 432.516 5.886 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OCc1cccc2ccccc12 1874614575 SOGWXQAZCUEEJC-CCEZHUSRSA-N 428.915 6.977 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3c(C)cccc3C)c([N+](=O)[O-])c2)cc1 1874616016 HBLUYUZOGCEYBX-UKTHLTGXSA-N 444.487 5.434 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OCc2ccccc2F)c(Cl)c1 1874639394 YCHHGKDAPPNHFJ-RMKNXTFCSA-N 431.290 6.616 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(-n4cccc4)cc3)c2)cc1 1874695681 NRQVBRILLJUZKL-XDHOZWIPSA-N 449.550 6.935 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc(OC)c(C)c3)ccc2OC)c1 1874696165 LMBUOPORHNEJAM-FMIVXFBMSA-N 446.499 5.526 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)[C@@H](C)c1ccccc1 1874698281 OVBFJRHEIFCREU-AAKUMTKESA-N 431.444 5.209 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1OC(=O)c1ccc(Cl)cc1 1874698705 KDLVTIDVQRONPF-WTDSWWLTSA-N 428.818 5.742 30 10 IKEE CCc1ccc(CCC(=O)Oc2cc(/C=C/C(=O)c3ccc(F)c(C)c3)ccc2OC)cc1 1874704136 YAEHPJJOJXJDFT-NTEUORMPSA-N 446.518 6.139 30 10 IKEE Cc1ccsc1C(=O)Oc1cccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)c1 1874712333 FOMRLCLGRAQROP-XNTDXEJSSA-N 440.520 6.964 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3ccc(/C=C/C(=O)c4cccc([N+](=O)[O-])c4)cc3)c(C)c2c1 1875085139 QWQICAUGMDTEJS-UKTHLTGXSA-N 440.455 5.808 30 10 IKEE Cc1ccsc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1Cl 1875096378 LIUMLZIKHFCCSJ-UXBLZVDNSA-N 432.928 6.978 30 10 IKEE CCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1Br 1875109846 HWDHOVBDOKIOKR-YCRREMRBSA-N 438.115 5.423 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)cc1)c1ccc([N+](=O)[O-])cc1 1875116614 KCGVDUNVMJZUHN-LXJLHJBASA-N 447.874 5.853 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1 1875120091 BDWYADFZTNONND-ONNFQVAWSA-N 428.818 5.742 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)[C@@H](C)c1ccccc1 1875134336 XLUMYSFLYTVQMX-NKSQBSFPSA-N 428.528 6.307 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)Cc1ccc(F)c(C)c1 1875142719 QPTQISLHWXMWIG-BJMVGYQFSA-N 436.454 5.634 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OC(=O)CC1CCCCC1 1875154474 HCZMUUWAQRBUFO-BMRADRMJSA-N 442.555 7.010 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)c1cccs1 1875156066 ZQEYEDJGGWOFDL-KPKJPENVSA-N 436.529 6.004 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)CC(C)(C)C)c(Br)c2)c(C)c1 1875182954 CURSLJOTYFPLIM-VQHVLOKHSA-N 443.381 6.612 30 10 IKEE CC(C)(C)OC(=O)NCCC1CC(C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 1879993253 HEDNRHQKZTXGPH-UHFFFAOYSA-N 429.561 5.011 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCC)c2c(F)cc(C)cc2Br)C1 1892683548 BHSCWFMDWWUGNE-QGZVFWFLSA-N 427.358 5.161 30 10 IKEE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1944889099 YGBDLJWNXDPGDH-SBUREZEXSA-N 449.617 5.415 30 10 IKEE C=C(COCc1ccccc1)[C@H](NC)[C@@H]1C[C@H](C(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1950363656 CSARNKHIZODWEK-VJBWXMMDSA-N 430.633 5.267 30 10 IKEE C#Cc1ccccc1[C@H](CCC(=O)O)CNC(=O)OCC1c2ccccc2-c2ccccc21 1951863933 SXRSVQVWSCSXNZ-HXUWFJFHSA-N 439.511 5.155 30 10 IKEE N#CC1(CNc2cc(Br)c(Br)c(Br)c2)CCCC1 2034330451 KYSCKPNIYFCYEA-UHFFFAOYSA-N 436.973 5.470 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)C2(C)C)cc1 2035988596 KNDFCYISUOXWNW-DEOSSOPVSA-N 445.560 5.118 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(Cl)cccc1Br 2041205138 JGXWGWFLCQLUAG-WBVHZDCISA-N 429.786 5.060 30 10 IKEE CC(C)(C)OC(=O)N1CCC(C[C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)CC1 2045577248 XUQXFEVKMKEGJR-SFHVURJKSA-N 447.551 5.497 30 10 IKEE C=CCN(CC[C@H](O)Cc1cc(Cl)c(C)c(Br)c1)C(=O)OC(C)(C)C 2048504144 SXOPBXOAFIHCCQ-HNNXBMFYSA-N 432.786 5.128 30 10 IKEE Cc1ccc([C@H](C2CCC2)n2nc(C(F)(F)F)c(/C=N/O)c2Br)cc1F 2079007096 NBYQFOPGSAUSHA-GRLVRZOXSA-N 434.231 5.310 30 10 IKEE CC(C)(C)[C@@H](c1ccc(C2CC2)cc1)n1nc(C(F)(F)F)c(/C=N/O)c1Br 2079081084 QMCAEKNLMFPFHI-ACAPYZNFSA-N 444.295 5.985 30 10 IKEE CC(C)[C@H](c1ccc(C2CCC2)cc1)n1nc(C(F)(F)F)c(C=NO)c1Br 2080004395 ZSCIVCFDANYMKP-MRXNPFEDSA-N 444.295 5.985 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)C(C)(C)[C@H]1CCCCO1 2151437246 KJWAXVBQKRGCKN-ZWKOTPCHSA-N 437.378 5.678 30 10 IKEE Cc1ccc2c(c1)CC[C@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2163708135 VKSPXJOVGBUWNU-JOCHJYFZSA-N 427.342 5.864 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc2c(c1)CCN(c1ccc(Br)cc1C#N)C2 2174810601 OCRUSTCJNRVBOD-UHFFFAOYSA-N 428.330 5.230 30 10 IKEE C=CC[C@@](C)(CO)N(Cc1ccccc1)C(=O)OCC1c2ccccc2-c2ccccc21 2208907431 CPZFQYBNSXOCAP-NDEPHWFRSA-N 427.544 5.765 30 10 IKEE C=CCCCCCCC[C@@H](O)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2227280872 DGHANYYMDAAEBZ-LJQANCHMSA-N 426.395 6.746 30 10 IKEE C=CCN(CC[C@H](NCC)c1cc(C)c(Br)c(C)c1)C(=O)OC(C)(C)C 2227365577 CPKJTSTUTMRRKH-SFHVURJKSA-N 425.411 5.530 30 10 IKEE C=C([C@@H](NC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)C(C)(C)C 2229136337 JQGJZKJWGCTCOB-QZTJIDSGSA-N 425.411 5.075 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)C(C)(C)[C@H](C)NC(=O)OC(C)(C)C 2235722832 GKDUHMNYPUDJMO-LPHOPBHVSA-N 437.422 5.108 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)[C@H](CCC)N(C)C(=O)OC(C)(C)C 2235723020 DGQYUFFIRSEYQT-UXHICEINSA-N 437.422 5.204 30 10 IKEE C=CCCC1([C@H](N)c2sc(C)c(Br)c2C)CN(C(=O)OC(C)(C)C)C1 2255000911 HHQHPHIHKPIFFB-MRXNPFEDSA-N 429.424 5.331 30 10 IKEE CC1(C)OB(c2cc(C(=O)N(Cc3ccccc3)CC3CCC3)ccc2Cl)OC1(C)C 2255527004 DKKAWLJKUXPZQC-UHFFFAOYSA-N 439.792 5.082 30 10 IKEE CC1(C)OB(c2ccnc(Oc3cc(Cl)c(Br)cc3Cl)c2)OC1(C)C 2265998849 SAFYZUMLVNAXPX-UHFFFAOYSA-N 444.949 5.242 30 10 IKEE C=CCCC1([C@@H](N)Cc2cccc(Br)c2Cl)CN(C(=O)OC(C)(C)C)C1 2266321575 XROMPENPVSZYGB-INIZCTEOSA-N 443.813 5.176 30 10 IKEE C=CCC[C@@H](C)[C@](C)(OCC(=O)O)c1cc(Br)c(Br)s1 2291003331 HJXHBQSQBMGPPO-OTYXRUKQSA-N 426.170 5.192 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@H](CCC)N(C)C(=O)OC(C)(C)C 2296304385 GSXYCWHLEUDNNY-PMACEKPBSA-N 437.422 5.204 30 10 IKEE COc1ccc(C(=O)COc2ccc3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1 2296867450 QHFORRWSJISXHY-UHFFFAOYSA-N 428.484 5.697 30 10 IKEE O=C(Cn1cc(C=C2Sc3ccccc3C2=O)c2ccccc21)Nc1ccc(F)cc1 2297320161 NHFOAOTXEVMVEZ-UHFFFAOYSA-N 428.488 5.749 30 10 IKEE Brc1ccc(C=Nn2c(SCCc3ccccc3)nnc2C2CC2)cc1 2320858386 LOCFJSUYJCMCAP-UHFFFAOYSA-N 427.371 5.135 30 10 IKEE O=[N+]([O-])c1cc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CC2)ccc1Cl 2320880326 DDHGLSVEGVJNLW-UHFFFAOYSA-N 448.335 5.545 30 10 IKEE CCCCOc1ccc(C=Nn2c(C)nnc2SCc2cccc(Cl)c2)cc1OC 2321184571 KKNDZKNREKMLLZ-UHFFFAOYSA-N 444.988 5.602 30 10 IKEE CCCN(CCC)C(=O)COc1ccccc1C=CC(=O)c1ccc(Cl)cc1Cl 2322378795 GYQPDJLLXNBTFX-UHFFFAOYSA-N 434.363 5.917 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Br)ccc2OCc2ccccc2C)c(C)c1 2322570105 UNVJHDUJKUCDKF-UHFFFAOYSA-N 435.361 6.849 30 10 IKEE Cc1cc(OC(=O)C(C)(C)C)cc2c1C(=O)C(=Cc1cc(Cl)cc3c1OCOC3)O2 2322643050 ALCFXMAGPVIGNF-UHFFFAOYSA-N 428.868 5.083 30 10 IKEE COc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(C(C)C)cc2)C3=O)c1 2322724549 WBDACPMTVUEKQR-UHFFFAOYSA-N 428.484 5.962 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)c1OCc1ccccc1 2322807837 GHODQRFGQQVBCY-UHFFFAOYSA-N 436.507 6.963 30 10 IKEE CCCCCCCCCOc1ccc(C=NNS(=O)(=O)c2ccccc2)cc1Cl 2323097873 ZPAIDGZHXGYMSW-UHFFFAOYSA-N 437.005 5.782 30 10 IKEE Cc1c(OC(=O)CCCOc2ccccc2)ccc2c1OC(=CC=Cc1ccccc1)C2=O 2323186968 OLCJZEVCQZHJLI-UHFFFAOYSA-N 440.495 5.932 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1OCC(=O)Nc1c(C)cccc1C 2323218265 TVKAPWWSWQNFGM-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1OCC(=O)Nc1ccccc1 2323259913 YZLKANPBOSPKGQ-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1cccc([N+](=O)[O-])c1)C2=O)C(Cl)=Cc1ccccc1 2323438288 OFTIUMZZKKYNPJ-UHFFFAOYSA-N 447.830 5.396 30 10 IKEE CCOc1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2)C3=O)cc1 2323511919 GMCZKIWDLZKKHY-UHFFFAOYSA-N 426.468 5.629 30 10 IKEE Cc1cc(OC(=O)c2cccc(Oc3ccccc3)c2)cc2c1C(=O)C(=Cc1ccco1)O2 2323561105 ZAPQGHJPWCXADV-UHFFFAOYSA-N 438.435 6.216 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)cc1 2323791791 KGPJSZHVRFVRHE-UHFFFAOYSA-N 445.427 5.137 30 10 IKEE Cc1cc(C)c(-c2csc(NN=Cc3cc(Cl)c(OC(C)C)c(Cl)c3)n2)c(C)c1 2323840198 YADQWTQMJZUPJI-UHFFFAOYSA-N 448.419 7.275 30 10 IKEE COc1cccc(-c2csc(NN=Cc3cc(Cl)c(OC)c(Cl)c3OC)n2)c1 2323854736 UOXFLTFCNDPVCZ-UHFFFAOYSA-N 438.336 5.589 30 10 IKEE C=CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2C)C3=O)c1 2323858165 MYFCSEABQXOKGA-UHFFFAOYSA-N 426.468 5.704 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(CN4C[C@H](C)C[C@@H](C)C4)c(O)cc(C)c3C2=O)cc1 2324055056 OOPRDDMVEAWXSX-RTBURBONSA-N 448.607 5.641 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc(OC)c1OCCO 2324288221 GKEWDJGBCXXJTA-UHFFFAOYSA-N 430.500 5.483 30 10 IKEE CCOC(COc1ccc2c(c1C)OC(=Cc1ccc(Br)cc1)C2=O)OCC 2324741926 UOTOZPKOBWMCOI-UHFFFAOYSA-N 447.325 5.152 30 10 IKEE CCOC(=O)c1ccc(COc2ccc3c(c2C)OC(=Cc2cccc(Cl)c2)C3=O)o1 2325402384 ZZGRJWNHLYEJNJ-UHFFFAOYSA-N 438.863 5.613 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OCC(=O)Nc3ccc(Cl)cc3)c2C)C1=O 2325513796 YUBCUFCMFMZERN-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2)cc1 2325719479 GKVOHLBHJUIZGB-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3ccc(Cl)cc3Cl)c2)cc1 2325738392 OIXUCIMREJOFCC-UHFFFAOYSA-N 441.310 6.182 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1OC(=O)c1[nH]c2ccc(C)cc2c1C 2325751062 BBRJFTQQXGBOAX-UHFFFAOYSA-N 443.474 6.048 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1OC(=O)c1ccc(C)cc1 2325756347 ANIPDSZHEMNLQS-UHFFFAOYSA-N 428.528 6.353 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2C)n1N=Cc1ccc(C(C)(C)C)cc1 2327115000 WQJSZBHTVPUCQK-UHFFFAOYSA-N 448.636 6.056 30 10 IKEE C=C(C)CSc1nnc(COc2c(C)cccc2C)n1N=Cc1cn(C)c2ccccc12 2328556545 NKXQKXTUARNLSX-UHFFFAOYSA-N 445.592 5.516 30 10 IKEE CCCSc1nnc(CCOc2ccccc2)n1N=Cc1cccc(Br)c1 2329209067 RHXNIVVJDPVOPS-UHFFFAOYSA-N 445.386 5.046 30 10 IKEE CCSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1ccc(OC(C)C)c(OC)c1 2329414283 TYHOKFNHJGBDJP-UHFFFAOYSA-N 438.597 5.276 30 10 IKEE Cc1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2-c2ccccc2Cl)cc1 2329551029 RBBUZCNSBYHTEF-UHFFFAOYSA-N 432.980 6.390 30 10 IKEE Clc1cccc(CSc2nnc(-c3ccccc3Cl)n2N=Cc2cccnc2)c1 2329610967 SGQWQKBVMWMCBA-UHFFFAOYSA-N 440.359 5.821 30 10 IKEE Clc1ccccc1C=Nn1c(COc2ccccc2)nnc1SCc1ccccc1 2329918785 XATNLPCRZIEFCY-UHFFFAOYSA-N 434.952 5.685 30 10 IKEE Cc1ccccc1CSc1nnc(-c2cccs2)n1N=Cc1ccccc1[N+](=O)[O-] 2330534723 CJNGVHMQKRZEDJ-UHFFFAOYSA-N 435.534 5.398 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2)n1N=Cc1cc(Br)ccc1F 2330670855 RRLOXHVDCVHGHJ-UHFFFAOYSA-N 431.334 5.397 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2cccc(F)c2)nnc1[C@H]1CCCO1 2330935063 MIKLKDVTULSULB-OAQYLSRUSA-N 440.544 5.232 30 10 IKEE C=CCN(C(=O)C=Cc1ccc(OCc2ccccc2)cc1)C1CCC(C(=O)OCC)CC1 2330961522 JGTNRQMLCXLMGH-UHFFFAOYSA-N 447.575 5.415 30 10 IKEE Fc1ccc(CSc2nnc(-c3ccco3)n2N=Cc2c(Cl)cccc2Cl)cc1 2331182782 MYBCMUDAICXUCL-UHFFFAOYSA-N 447.322 6.159 30 10 IKEE CCOc1cccc(C=Nn2c(CCOC)nnc2SCc2cccc3ccccc23)c1 2331300678 CZYGRUXTLMIUPT-UHFFFAOYSA-N 446.576 5.193 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1ccc(C(C)(C)C)cc1 2331319299 CHOOZVSPIWQLJF-UHFFFAOYSA-N 449.624 5.531 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1OCC 2331402485 HWVHKUMYCQCXHC-UHFFFAOYSA-N 444.911 5.502 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccccc1O 2331471013 FGEMDNNWLXDZLV-UHFFFAOYSA-N 435.380 5.664 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)c(Cl)c1)c1ccc(F)c(F)c1 2331557508 DBKBQUTTZJPIEL-UHFFFAOYSA-N 443.789 5.642 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3c(C)cccc3C)cc2)c(C)c1C 2331612307 DRKGPKKUBYFCGV-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1cnc(C)cn1 2331657702 WKLVQCUEMXHDNL-UHFFFAOYSA-N 430.504 5.143 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc(OC)c1OC(=O)c1ccco1 2331669889 KLOCUUMEZWIVKF-UHFFFAOYSA-N 446.499 5.757 30 10 IKEE CC(C)c1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(Cl)cc1 2331705701 ZLXVKGUOXDIRSW-UHFFFAOYSA-N 439.799 6.536 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)C3CCCC3)c(Br)c2)c(C)c1 2331768967 UTDDRDZQYJYHMM-UHFFFAOYSA-N 441.365 6.366 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)[C@@H]2CCCO2)c(Cl)c1 2331792794 VPFOIFMNYHWGJF-QHCPKHFHSA-N 426.940 5.926 30 10 IKEE Cc1cc(Cl)ccc1-n1nnc(C#N)c1NC(=O)C(=Cc1ccccc1)c1ccccc1 2332190447 OYOCMIVSJPVCLJ-UHFFFAOYSA-N 439.906 5.280 30 10 IKEE COCc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)s1 2352344778 AOBMAPPWQHSPQA-INIZCTEOSA-N 437.359 5.663 30 10 IKEE Cc1cc(OCc2ccccc2)ccc1Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N 2364757578 JGPSXOXATYWZQW-UHFFFAOYSA-N 440.352 5.489 30 10 IKEE CO[C@@H](C#C[C@@H](N)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1)C1CCCC1 2369630790 CJCMQSLRXBBZRP-MJGOQNOKSA-N 437.378 5.005 30 10 IKEE C=CCN1C(=O)[C@@H](C)Oc2cc(NC(=O)CCCOc3ccc(Cl)cc3Cl)ccc21 12081517 XEBUKPNXQZVVST-CQSZACIVSA-N 449.334 5.091 30 10 IKEE CCCOC(=O)c1cc(-c2ccc(/C=C3\C(=O)ON=C3c3ccccc3)o2)ccc1Cl 20036578 YCDNLYMLGTVPIN-RGEXLXHISA-N 435.863 5.511 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1ccc(C(=O)/C=C\c2ccc(C(C)C)cc2)cc1 34954126 BITMAOOHRWTZTN-YVLHZVERSA-N 430.500 5.943 30 10 IKEE CCN(CC)C(=O)COc1ccc(/C(C)=N\Nc2cc(C(F)(F)F)ccc2Cl)cc1 35104099 WIHRWWXQGIQLSU-WGARJPEWSA-N 441.881 5.442 30 10 IKEE O=C(Nc1ccc(-c2csc(N/N=C/c3c[nH]c4ccccc34)n2)cc1)c1ccccc1 40570785 MNQXUQUMEDCDPU-JFLMPSFJSA-N 437.528 5.990 30 10 IKEE COC(=O)/C(=N\Nc1ccc(Cl)cc1)Sc1nc2ccccc2n1-c1ccccc1 59121515 MHWYZAKKYGQOST-LHLOQNFPSA-N 436.924 5.370 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C)c3)c2)cc1 59854113 OKOHLVPORQXZEL-UHFFFAOYSA-N 444.575 6.849 30 10 IKEE CN(C)c1cc(C(F)(F)F)cc(-c2ccc(CC(=O)/C=N/c3ccc(Cl)cc3)cc2)n1 95082530 KKJBXXWWOUFBDA-CCVNUDIWSA-N 445.872 6.001 30 10 IKEE CCCCCCCN1C(=O)C[C@@H](C(=O)NCC)S/C1=N/c1cccc(C(F)(F)F)c1 100169066 PRIKMSTYLBZXPR-LKGQYPBNSA-N 443.535 5.134 30 10 IKEE CCCCCCCCCCCCCC(=O)Nc1cccc(OCCCc2ccccc2)c1 100442262 XJMBVSJIVGHSRV-UHFFFAOYSA-N 437.668 8.338 30 10 IKEE COc1ccc(C)cc1NC(=O)c1oc2c(c1C)/C(=N\Nc1ccccc1)CC(C)(C)C2 101108851 MHNVNVZSVFRFJB-BRPDVVIDSA-N 431.536 5.946 30 10 IKEE Cc1ccc(CN2c3ccsc3C(=O)/C(=C\Nc3cccc(Cl)c3)S2(=O)=O)cc1 103133484 DMUHXMDTHMGMTA-XDHOZWIPSA-N 444.965 5.196 30 10 IKEE Cc1ccc(/N=C(C(=N/c2ccc(C)cc2)/N(C)c2ccccc2)\N(C)c2ccccc2)cc1 103710414 ZNGZCAFGSSVUPL-SZDCHMHBSA-N 446.598 7.336 30 10 IKEE CCCCCOc1ccc(/C=N\Nc2nc(-c3cccc(OC)c3)cs2)cc1OCC 169941437 YIGAULRTBJOYAJ-XYGWBWBKSA-N 439.581 6.232 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(O)cc2)cc1 169959314 BREIXIZWDUBUQG-DEOSSOPVSA-N 439.467 5.484 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@@H]2c2cccnc2)ccc1F 170003473 DYOKJYPAVLHVBX-HSZRJFAPSA-N 444.506 5.610 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 170066573 OXUGOLDOACYBOB-RDPSFJRHSA-N 445.515 5.314 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccc1F 170072054 ZNQSWOZDYHAXTK-XMMPIXPASA-N 447.506 5.372 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccc(C)c2)cc1C 170142925 HHRRQYDCGLMKBG-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2ccccc2C)c1 170142966 NVQUOTBZKJXXNF-AVRWGWEMSA-N 439.511 5.410 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)cc(OC)c3o2)[C@@H]1c1cccc(C)c1 170147267 QSNXHLFDZYQDDY-FQEVSTJZSA-N 439.895 5.392 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccs2)cc1 170159756 JHPZWUMORCROKU-OYHNWAKOSA-N 431.513 5.163 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C(C)(C)C)ccc3C)[C@H]2c2cccnc2)c1 170185686 XTKCEGOSEDEWLF-XMMPIXPASA-N 440.543 5.779 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@@H]1c1cccnc1 170191045 JXZWWIXDZUDIPE-DEOSSOPVSA-N 442.515 5.208 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccncc2)c1 170203627 YFIFLCUBQGATSE-JOCHJYFZSA-N 448.906 5.307 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1cccc(OCC)c1 170218075 GBGQMJOZGYYEDM-QHCPKHFHSA-N 437.536 5.108 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(O)c(Cl)c1 170219648 LYLQGICRZAHAEA-QFIPXVFZSA-N 439.939 5.303 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccccc2)c1 170223758 UMOZQNFZIXSOIB-AREMUKBSSA-N 433.507 6.240 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccc(F)cc2)c1 170238994 NRKXQIAAECWFGT-RUZDIDTESA-N 437.470 6.070 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2Cc2ccco2)cc1 170266387 NQHZXGFIVBAXTC-VWLOTQADSA-N 437.495 5.774 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccco1 170283953 QKFBREKZRASRHC-NRFANRHFSA-N 433.847 5.771 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)[C@@H]2c2ccco2)c(C)c1 170289541 PUZKSZXHJBEFIW-QFIPXVFZSA-N 447.874 6.079 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1Cc1ccncc1 170317127 UMVICEGOBMMQDC-OAQYLSRUSA-N 448.544 5.017 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccncc2)=C(O)C(=O)N1c1ccc(C(C)(C)C)cc1 170333313 ZCRGTIYOKDOECT-HSZRJFAPSA-N 442.515 5.171 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Cl)cc2)c1 170365121 VUBGCOYJRKAKFB-QFIPXVFZSA-N 433.891 5.522 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1c1ccc(C(F)(F)F)cc1 170406215 BEEPZKZWVACIFH-MRXNPFEDSA-N 449.475 5.920 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(Cc2ccc(OC(C)(C)C)cc2)[C@@H]1c1ccc(O)cc1 170447984 QNEHWGKOFOMBPE-HSZRJFAPSA-N 437.536 5.080 30 10 IKEE O=C(/C=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cccc(NC(=O)c2cccs2)c1 210049208 DDCFSFNOGRRNOM-BENRWUELSA-N 444.468 6.065 30 10 IKEE CCCCCCCCCOc1ccc([C@H]2NN=C3CCN(CCC)C[C@H]32)cc1OCC 217067376 NBSUTJSEBMIYTD-ATIYNZHBSA-N 429.649 5.947 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccc(C)c(F)c2)nnc1C12CC3CC(CC(C3)C1)C2 253576825 WIALEMRHOUZPRR-UHFFFAOYSA-N 440.588 5.110 30 10 IKEE O=C1/C(=C\c2ccc(Cl)cc2)SC(=Nc2ccccc2)N1[C@H]1CCCc2ccccc21 254739093 TWKSTXVZGLYRBY-YELYSNJPSA-N 444.987 7.022 30 10 IKEE C=CCOc1ccc(CNc2ccc(I)cc2Br)cc1 394393828 AVZJWPQWPXALRI-UHFFFAOYSA-N 444.110 5.231 30 10 IKEE CCCCCCCCC[C@H](NC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 406540736 ZPOKUDWXZUUKJN-FQEVSTJZSA-N 441.454 7.197 30 10 IKEE Cc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(Br)cc2)cc1 526489720 BWRHLDAZUOTHQH-JOCHJYFZSA-N 445.316 5.686 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccc3ccccc23)cc1 526772495 JOCWSEXXWIAAPU-HHHXNRCGSA-N 447.534 6.746 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1cccc(OC)c1OCC 526818829 BZBKTWTYJQOTAF-MYYYXRDXSA-N 438.597 5.429 30 10 IKEE CCOc1ccc(/C=N\n2cnnc2SCc2ccc(Cl)cc2Cl)cc1Cl 526823750 QLKUDTONUKHYGZ-AQHIEDMUSA-N 441.771 5.812 30 10 IKEE Cc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2ccc(C(C)(C)C)cc2)cc1C 586209543 PBLNQMQWRXEYKG-UHFFFAOYSA-N 432.589 5.868 30 10 IKEE COc1ccc(C)cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)c1ccc(C(C)(C)C)cc1 586248516 YFNZFBSXNNBOMI-UHFFFAOYSA-N 448.588 5.568 30 10 IKEE CCOc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2cccc(Cl)c2)cc1 586255821 ZCEKOCIBUODESN-UHFFFAOYSA-N 426.925 5.006 30 10 IKEE N#Cc1ccccc1NC(=O)Nc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 586722138 UJDFFAILKGXBGH-UHFFFAOYSA-N 439.519 5.445 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H]([C@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)C1 698884519 LCOVBAHWDNCIOL-HJPURHCSSA-N 449.979 5.621 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCc3cc(Br)ccc32)cc1 698899911 DXWHNOMAJNOAPH-QFIPXVFZSA-N 427.342 5.864 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 698900305 DYIFCAJVKFWUDB-MWTRTKDXSA-N 449.979 5.621 30 10 IKEE C(=Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc(OCc2ccccc2)cc1 1084478518 CRNXBPRKMOBENP-UHFFFAOYSA-N 429.523 6.869 30 10 IKEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N(CC)Cc1nc(O)c2sccc2n1 1722584575 UJQLQOARYFLKSN-OAHLLOKOSA-N 428.606 5.131 30 10 IKEE Cc1c(C(=O)NCc2ccccc2Cl)oc2c1C(=NNc1ccccc1)CC(C)(C)C2 1772728694 YAVOZBVFZOHSDY-UHFFFAOYSA-N 435.955 5.960 30 10 IKEE C=CCOc1ccccc1/C=C1\SC(=Nc2ccncc2Cl)N(c2ccccc2)C1=O 1772736721 MJHHBCPCKACYQE-ZKNSXIRRSA-N 447.947 6.108 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2)SC(=NN=Cc2ccccc2O)N1Cc1ccco1 1772756724 BGERQYADOWALHU-GBUPQRAWSA-N 437.908 5.145 30 10 IKEE C=CCOC(=O)c1sc(NC(=O)C2(Oc3ccc(C)c(C)c3)CCCCC2)nc1C 1859737011 IEWNADCCEJYJGF-UHFFFAOYSA-N 428.554 5.132 30 10 IKEE CCCCCCCCCNC(=O)[C@H](C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1 1860269064 WTTVTPSDLYLRHX-FQEVSTJZSA-N 435.564 6.094 30 10 IKEE O=C(/C=C/c1ccc(Cl)cc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1 1860721852 AOOYLVIMHPSJKR-LHHJGKSTSA-N 426.299 5.793 30 10 IKEE CC(C)(C)c1ccc(/C=C/C(=O)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 1860722350 AORQFUNPURAPFO-RMKNXTFCSA-N 443.387 6.243 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)c1ccc2nc(C(C)C)[nH]c2c1 1861440658 UKKOOTBUROHINF-JOCHJYFZSA-N 442.648 5.842 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CC1CCCCC1 1861460233 YARHGBUGIXFMSA-RUZDIDTESA-N 444.660 5.647 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1F 1861468579 NUIZZOCUAYIEMV-XMMPIXPASA-N 442.575 5.129 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1c(F)cccc1Cl 1861844784 PFMQISBKCOSVLO-NRFANRHFSA-N 432.967 5.297 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862413673 ILDGBYBJDJUMQT-WNSKOXEYSA-N 449.453 5.313 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccccc1F 1862430733 QOYKEEUKNIWLFJ-RFVSGWPVSA-N 427.903 5.636 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2cccc(F)c2)cc1 1862444578 BIFNURWWTWRLJV-HSZRJFAPSA-N 449.909 5.609 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2ccccc2F)cc1 1862474977 ZWNHOVPQMDREMW-XMMPIXPASA-N 429.491 5.529 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 1862476972 QYQSMOTUUYMXGB-XMMPIXPASA-N 445.946 5.860 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccccc2F)c1 1862490476 WJOKOODAYIBJHX-DEOSSOPVSA-N 429.491 5.529 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(C(C)C)cc2)c1 1862490725 CKAZEJZGRDHERM-XMMPIXPASA-N 445.584 6.267 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCCC2)c1 1862495575 PMJSCGMIRNEERG-VWLOTQADSA-N 447.575 6.003 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc(O)cc2)cc1 1862515089 OZTRMOQAQDNEQJ-CUHUQNRHSA-N 449.547 5.338 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2ccc(F)cc2)cc1 1862530780 XXIJLLCHCBNUJH-JOCHJYFZSA-N 435.520 5.271 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2cccc(Cl)c2)c1 1862560480 IOBYGDPIRNHBSH-HSZRJFAPSA-N 446.934 5.318 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1F 1862581368 GNORGEZSZQMFKL-IBGZPJMESA-N 436.310 5.757 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862585824 FLVGYSKZQAPNMO-INIZCTEOSA-N 444.236 5.610 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862597091 LSPWNVPOPBOZRA-MZNJEOGPSA-N 443.499 5.130 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cc(Cl)cc(Cl)c2)c1 1862706591 ZZNMIXDXNIMVFX-HXUWFJFHSA-N 446.330 5.523 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCC2=CCCCC2)c1 1862735776 AYRGIKXQCAAUBW-HSZRJFAPSA-N 446.503 5.372 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccc(Cl)c1 1862751442 MPSWSJUOKWSRPD-FQEVSTJZSA-N 442.899 5.407 30 10 IKEE C=CCOc1ccccc1/C=C1/C(=O)N(Cc2ccc(Cl)c(Cl)c2)N=C1CCC 1865666390 IXCANQCSMSEIEE-NBVRZTHBSA-N 429.347 6.140 30 10 IKEE N#Cc1ccccc1NC(=O)[C@@H](NC(=O)CCCc1cccc(Cl)c1)c1ccccc1 1867125739 WWLYEDNOSHYYMX-DEOSSOPVSA-N 431.923 5.031 30 10 IKEE CCCCCCCCCCNC(=O)C[C@@H](c1ccccc1)c1ccc(OC)c(Cl)c1 1868197030 RMXZNTGBVTZQIU-QHCPKHFHSA-N 430.032 7.128 30 10 IKEE Cc1ccccc1-c1nc(Nc2cccc(C#N)c2)cc(N2CCc3nc[nH]c3[C@H]2C(C)C)n1 1868293182 ZKACHYZUZQLTPT-AREMUKBSSA-N 449.562 5.550 30 10 IKEE CC(C)(C)c1nc(Nc2ccc(C#N)cc2)cc(N2CCC[C@H]2c2nc3c([nH]2)CCCC3)n1 1868356230 VWZRXQLLQKUKTP-NRFANRHFSA-N 441.583 5.333 30 10 IKEE Cc1nc(Nc2cccc(C#N)c2)cc(N2CCC(Cc3ccc(C(C)(C)C)cc3)CC2)n1 1868467355 WJJCISHLSZTSEV-UHFFFAOYSA-N 439.607 6.157 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3ccc([N+](=O)[O-])cc32)nc(-c2ccc(Cl)cc2)n1 1869247251 MBIUSAKXDGBGLL-UHFFFAOYSA-N 447.926 5.578 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)c2ccccc2Cl)n(-c2ccc(Cl)cc2)n1 1870002836 WSYJTAZTFJMQBV-UHFFFAOYSA-N 428.323 5.005 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OC(C)(C)C)c(=O)cc1CN(C)CCCC 1870446016 QKKCJCHOEABEMZ-UHFFFAOYSA-N 436.637 5.161 30 10 IKEE C=CCn1cc(OCCCCCCC)c(=O)cc1CNc1ccc(N2CCCCC2)cc1 1870833236 DTGZNFMDANMORX-UHFFFAOYSA-N 437.628 5.986 30 10 IKEE CC[C@H](C)N1COc2cc(C)c3c(c2C1)O/C(=C\c1cn(CC)c2ccc(OC)cc12)C3=O 1871352165 SENZENJXXQGELQ-GQJRVPCCSA-N 446.547 5.545 30 10 IKEE CCCCN(CCCC)Cc1c(O)cc(C)c2c1O/C(=C\c1ccc(N(C)C)cc1)C2=O 1871393428 MEHFQOBJBPKDGS-ULJHMMPZSA-N 436.596 5.785 30 10 IKEE COc1ccccc1/C=C1\Oc2c(ccc(OCCCOc3ccc(C)cc3)c2C)C1=O 1871405272 HXFILZQXEKPMHB-UQQQWYQISA-N 430.500 5.776 30 10 IKEE CCc1ccc(OCCCOc2ccc3c(c2)O/C(=C\c2cccc(OC)c2)C3=O)cc1 1871413260 WZFLWKFQFNELPV-ONUIUJJFSA-N 430.500 5.722 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4cc(Cl)ccc4C)ccc3C2=O)c1 1871414950 YLWJRFNCFJPESL-VJUVOTIISA-N 447.918 5.979 30 10 IKEE Cc1cc(OCC(=O)N[C@@H](C)c2ccccc2)cc2c1C(=O)/C(=C/c1cccc(Cl)c1)O2 1871424461 KLEUDAPDJJJXQS-ICODJCHTSA-N 447.918 5.521 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OCc3nc(O)c4ccccc4n3)cc(C)c2C1=O 1871430708 PEALXJVCNHJTBB-ODLFYWEKSA-N 430.485 5.209 30 10 IKEE COC(=O)c1ccc(Oc2c(C)oc3cc(OCc4ccccc4C#N)ccc3c2=O)cc1 1871436485 AHPKNYXOONDABE-UHFFFAOYSA-N 441.439 5.131 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(F)c(F)c2)cc2c1C(=O)/C(=C/c1cccc(F)c1)O2 1871443236 LDWVIOKBIUUHGF-NKVSQWTQSA-N 439.389 5.046 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C)c(Cl)c4)cc(C)c3C2=O)o1 1871457108 PTWBOKXKOARUMG-FBHDLOMBSA-N 437.879 5.492 30 10 IKEE CCCCCCCCCCN=c1nc(N2CCCCC2)[nH]c(=Nc2ccccc2CC)[nH]1 1871558479 JHTQELAAEWNUAB-UHFFFAOYSA-N 438.664 5.564 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)C(C)C)S(=O)(=O)CCC 1872325304 OKLRPEYOLHSSRY-HSZRJFAPSA-N 436.662 5.514 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(OCCC)cc3)n2)cc1 1872762302 IXFWAGLGFKRWPW-HSZRJFAPSA-N 432.589 6.360 30 10 IKEE Cc1ccc(C)c(CC(=O)[C@H](C#N)c2nc(-c3ccc(Br)cc3)cs2)c1 1872765570 RTKJVLHBGKZHDK-SFHVURJKSA-N 425.351 5.608 30 10 IKEE COc1ccccc1-c1csc([C@@H](C#N)C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)n1 1872766079 BPDFUFCLBQSMBN-WFASDCNBSA-N 447.343 5.769 30 10 IKEE CC(C)(C)c1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(Br)c3)n2)cc1 1872773478 OOOHCRKCWJKVRP-SFHVURJKSA-N 439.378 6.360 30 10 IKEE CCCCCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 1872773542 QAMJVPDXKSSCNS-HXUWFJFHSA-N 448.544 5.988 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@@H](C#N)C(=O)COc2ccc(Cl)cc2)n1 1872786250 FZCXLYSTSQUAFX-INIZCTEOSA-N 447.343 5.689 30 10 IKEE COc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc1OC 1872786355 IDASCWSKVLABOE-ZLQZBKBYSA-N 432.545 5.642 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2C)C(=O)N(Cc2ccncc2)C1=O 1873102143 GGAKOQUVTGCWBT-UHFFFAOYSA-N 433.596 5.400 30 10 IKEE N#Cc1ccccc1NC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 1873868947 YDCAHCQNDHMPPY-XMMPIXPASA-N 427.548 5.382 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccc(OCC(C)C)cc3)c(=O)oc2c1 1873953187 WABYQHHFNPPNTH-UHFFFAOYSA-N 435.520 5.272 30 10 IKEE CCCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1/N=C/c1ccco1 1874195688 BSTVCJQKQPESBH-JJIBRWJFSA-N 426.586 5.565 30 10 IKEE CCSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1ccccc1F 1874206114 KSJGYXLXWWAVLG-LSHDLFTRSA-N 425.316 5.297 30 10 IKEE CSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc(Br)cc1 1874281555 OZKBQICVMQQILT-CIAFOILYSA-N 435.778 5.083 30 10 IKEE COc1ccccc1CCc1nnc(SCCc2ccccc2)n1/N=C/c1ccccc1 1874314258 KGRHRXPRSLQJLO-NHFJDJAPSA-N 442.588 5.289 30 10 IKEE CCCSc1nnc(CCc2ccccc2C)n1/N=C/c1c(Cl)cccc1Cl 1874363851 VCBXHKMHAOMJJS-ZVHZXABRSA-N 433.408 6.063 30 10 IKEE Cc1cccc(/C=N/n2c(CCc3cccs3)nnc2SCCc2ccccc2)c1 1874371023 DRRINYQFEMNOTI-XIEYBQDHSA-N 432.618 5.650 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccccc3)n2/N=C/c2ccc(O)cc2)c1 1874383784 XWSAGUJCJKIOPF-MFKUBSTISA-N 430.533 5.046 30 10 IKEE Clc1ccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccc[nH]2)cc1Cl 1874409718 JZPNCJOVCJMKOS-DHRITJCHSA-N 448.423 6.210 30 10 IKEE Cc1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2ccc(C(C)(C)C)cc2)cc1 1874420432 MAZICQQZJBQROT-WGOQTCKBSA-N 446.645 6.787 30 10 IKEE CC(C)COC(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1cccc2ccccc12 1874430790 XOCXNIAEBANNAB-CVKSISIWSA-N 444.560 5.272 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCCc3ccccc3)nnc2[C@H]2CCCO2)c1 1874448820 MMIICAXBENRUNJ-RYEBZEHMSA-N 436.581 5.135 30 10 IKEE O=[N+]([O-])c1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C2CCCC2)cc1 1874452341 QFJKMFFRVZTVPD-YDZHTSKRSA-N 425.489 5.158 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccco3)n2/N=C/c2ccccc2OC(C)C)c1 1874466884 HHVGJGSXPUZYQV-CVKSISIWSA-N 446.576 6.117 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2/N=C/c2ccccc2C)c(C)c1 1874469295 XSPZFHDUSTWQHV-AFUMVMLFSA-N 445.548 5.076 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2C2CCC2)cc1 1874493735 BTFIYBRBQYWVJP-YZSQISJMSA-N 434.609 6.207 30 10 IKEE C=C(C)CSc1nnc(C2CCC2)n1/N=C/c1ccc(OCc2ccccc2C)cc1 1874495682 YZKYKWVMVNNREQ-CVKSISIWSA-N 432.593 5.983 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CCC2)cc1 1874497521 NOXUKEUCMOJUHI-FOKLQQMPSA-N 433.364 5.733 30 10 IKEE COCc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc(C(C)(C)C)cc1 1874502204 VOLJATAGTBSKIN-ZMOGYAJESA-N 428.989 5.550 30 10 IKEE Sc1nnc(CCCOc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(Cl)cc1 1874570702 FBCLZWVYESIGLN-SSDVNMTOSA-N 441.771 5.421 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2ccccc2OCc2cccc(Cl)c2)cc1Cl 1874588581 UGDKSMROCAHIDY-ZHACJKMWSA-N 443.326 6.486 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1OCc1ccc(Cl)cc1 1874597156 XAMWESICRZSCNP-VIZOYTHASA-N 434.963 7.121 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccc([N+](=O)[O-])cc1 1874602475 OEFAMDUWEJJEBJ-XYOKQWHBSA-N 448.431 5.377 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OCC 1874608374 KYYDTEKIHMUUTI-ACCUITESSA-N 443.971 5.662 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(F)cc3F)cc2Cl)o1 1874611262 FIZHDCSBEQNTFG-FPYGCLRLSA-N 446.833 5.863 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3)c(OCC)c2)cc1 1874615028 CIKRLEVDGUGXLN-MHWRWJLKSA-N 445.515 5.398 30 10 IKEE C=C(C)COc1c(OCC)cc(/C=C/C(=O)c2ccc(OCCC)cc2)cc1[N+](=O)[O-] 1874617240 RQARJILSPXSOFA-KPKJPENVSA-N 425.481 5.633 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)C2(c3ccc4c(c3)OCO4)CC2)c1)c1ccccc1Cl 1874696417 BIDBEXQEFOLBCH-CSKARUKUSA-N 446.886 5.602 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1cccc(/C=C/C(=O)c2ccc(F)cc2F)c1 1874699609 DAOBSZBDJFZBPY-WEVVVXLNSA-N 428.818 5.742 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccccc2)CSc2nnc([C@@H]3CCCO3)n21 1874948720 ZNNYHPUFPIOHRA-UXHICEINSA-N 428.602 5.192 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2OC)cc1 1875094851 LRZCZPZOSQJNCI-NTUHNPAUSA-N 447.443 5.117 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(C)cc3C)c(OC)c2)c1 1875104314 QRUITYOPDQPSOW-PKNBQFBNSA-N 446.499 5.201 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3cccc(OC)c3)cc2)cc1 1875106762 JPKKRFVDPKCVHB-CPNJWEJPSA-N 442.555 6.472 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 1875119763 LNDIXMUYSKCOTL-RIYZIHGNSA-N 447.443 5.117 30 10 IKEE O=C(COCc1ccccc1)Oc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1Cl 1875121134 AYBOJFQTDLNNLA-PKNBQFBNSA-N 441.310 6.012 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3cccc(Cl)c3)cc2)cc1OC 1875123483 OMQKPIJNCKDOOA-XYOKQWHBSA-N 436.891 5.401 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)c(F)c2)cc1)c1ccc(Cl)c(Cl)c1 1875133965 HFGQEBRMXCRPPD-XCVCLJGOSA-N 433.237 6.387 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCOc3ccccc3)cc2)cc1 1875137567 SQEPLBMNRANDBX-LICLKQGHSA-N 430.500 5.746 30 10 IKEE COc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2OC)cc1 1875140125 QVIWVJFBZHKOBY-NTUHNPAUSA-N 446.499 5.201 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Br)c1OC(=O)C(C)(C)C 1875142279 SYPIJHUVXDIWMQ-RMKNXTFCSA-N 449.316 5.753 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(Cl)c1OC(=O)CC(C)C 1875155164 PFRHVBFSZLVWPR-OUKQBFOZSA-N 436.935 6.740 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc(Cl)ccc3Cl)cc2)cc1 1875156086 JSLGMONZQCPPGI-LHHJGKSTSA-N 439.338 7.232 30 10 IKEE CN(C)c1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(F)c3)cc2Cl)cc1 1875162136 YFWNVNQAMJSFDL-QDEBKDIKSA-N 441.861 5.800 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(C)c3C)cc2OC)c1 1875166757 RRAPMQSLVLYBEQ-FMIVXFBMSA-N 446.499 5.445 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1cccc(C)c1 1875170264 OPDMMYDYVHSVQX-ACCUITESSA-N 442.555 6.743 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccco3)c(Br)c2)cc1C 1875175258 GYWQMEDTJZJLQN-RMKNXTFCSA-N 425.278 5.774 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(N(C)C)cc2)cc1 1875182019 INBMJUYYDGFEOX-VGOFMYFVSA-N 449.934 5.838 30 10 IKEE N#CC1(c2ccccc2)CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 1890864861 RFVHQGXYSIUHSE-UHFFFAOYSA-N 426.360 5.422 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CC12CCC(C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)CC2 1912152011 NXOGCKOBYKLCGU-XDGVHFHYSA-N 448.568 5.044 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C1 1922065797 OZWUBIGDOAORIF-DJCPXJLLSA-N 428.617 5.067 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C(C)(C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1922091972 OKJUPOBEHMVZPA-ZEQRLZLVSA-N 444.660 5.801 30 10 IKEE C=CCC1([C@H](NCCC)c2scc(Br)c2C)CN(C(=O)OC(C)(C)C)C1 1923039838 SMBCSOGEPMFZPJ-QGZVFWFLSA-N 443.451 5.673 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@H](C#N)N(C[C@H]2CCCO2)C(=O)OC(C)(C)C)cc1 1944076547 VENKZQDBQMDCRA-MOPGFXCFSA-N 431.533 5.014 30 10 IKEE Cc1cc([C@@H](CCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1C#N 1951861058 SECNEZBHOGIKCD-RUZDIDTESA-N 440.499 5.311 30 10 IKEE CC(C)[C@H](COc1c(N)ccc(F)c1C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 2021714582 WOQJLPNLHGLDES-NRFANRHFSA-N 427.520 5.120 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(CC2CC2)C(=O)OC(C)(C)C)C12CCCC2 2024623676 IGGSTEWAFYUEID-XMMPIXPASA-N 433.593 5.240 30 10 IKEE Cc1cc(Br)sc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 2039290456 SZVFTDQINNRDKL-AWEZNQCLSA-N 441.778 6.479 30 10 IKEE O=C(C=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1cccc(N2CCOCC2)c1 2040968016 YGQOEVZOLKDXFJ-UHFFFAOYSA-N 428.315 5.986 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@]1(C#N)CCC(F)(F)C[C@H]1OCc1ccccc1 2043759098 QBPKCVIHJGYHNW-NQIIRXRSSA-N 449.502 5.591 30 10 IKEE C#CCCCC[C@@H](NCCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2053263007 BDGISFNNESKXKA-XMMPIXPASA-N 441.660 5.108 30 10 IKEE Cc1ccc([C@@H](n2nc(C(F)(F)F)c(/C=N/O)c2Br)C2(C)CC2)c(F)c1 2079123648 CISWUKZYIPGHDF-VKKHMPROSA-N 434.231 5.310 30 10 IKEE CC[C@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)(F)F)c(C(=O)OC)c1Cl 2079959975 ZVTYWJYQURCMHL-SNVBAGLBSA-N 432.723 5.499 30 10 IKEE CC[C@@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C2CCC2)c(C#N)c1Br 2080003536 OAZBDOJESROERK-HNNXBMFYSA-N 430.243 5.942 30 10 IKEE Cc1cc(O)c([C@@H](C(C)C)n2nc(C(F)(F)F)c(C=NO)c2Br)cc1C 2080030287 KTHWWFLBVBGTKG-CQSZACIVSA-N 434.256 5.040 30 10 IKEE Fc1cc(-c2c(C3CCCC3)nn(C(F)(F)F)c2Br)cc(C(F)(F)F)c1 2080845159 DEKORQPGYVHYRK-UHFFFAOYSA-N 445.176 6.604 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)C1(NC(=O)OC(C)(C)C)CCC(C)(C)CC1 2082394709 ZTNFONUUHPIODX-HSZRJFAPSA-N 444.660 5.991 30 10 IKEE CC(C)CNCc1ccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)c(C#N)c1 2095884127 WJVJMFYNCMTDAS-UHFFFAOYSA-N 440.635 5.442 30 10 IKEE N#C[C@H](C(=O)c1cscc1OCc1ccccc1)c1ccc(F)cc1Br 2128736336 GSMPTEPLGSKPNW-INIZCTEOSA-N 430.298 5.719 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)C1(C#N)CC2(CCC(N)CC2)C1 2176713867 GCCKUANPPMUEQO-UHFFFAOYSA-N 434.378 5.134 30 10 IKEE Cc1cc(C#N)cc(NC(=O)c2cc(Br)cc(NC(=O)OC(C)(C)C)c2)c1 2181046346 KLWYVPZOEOVHJE-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE CC1(C)OB(c2ccc(COCc3cc(Cl)ccc3Br)cc2)OC1(C)C 2200740679 OQPQUSFCBJGWJJ-UHFFFAOYSA-N 437.570 5.119 30 10 IKEE CCCCCCCC[C@@](C)(CN)N(CCCNC(=O)OC(C)(C)C)Cc1ccccc1 2217260721 BZHLSOSJEOUOGK-SANMLTNESA-N 433.681 5.871 30 10 IKEE Cc1ccc(Br)c([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)c1 2228069571 JUYPAOARWJRPOG-SFHVURJKSA-N 435.749 6.417 30 10 IKEE CN[C@@H](C#Cc1ccccc1Br)[C@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C 2235732158 RPEYRQYURZGIFL-OALUTQOASA-N 437.422 5.060 30 10 IKEE C[C@H](NC(=O)OC(C)(C)C)c1cccc(NC(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)c1 2267090173 KHLPMVXKRIXRCL-ZLPCBKJTSA-N 444.381 5.083 30 10 IKEE C=CCN(C[C@@H](NCCC)c1cc(F)cc(Br)c1F)C(=O)OC(C)(C)C 2272742671 YTIRVJSKWOWSHW-MRXNPFEDSA-N 433.337 5.191 30 10 IKEE O[C@@H](C#Cc1ccc(Br)cc1)c1cc(Br)ccc1Br 2278813052 CELVBNALMIKKBB-HNNXBMFYSA-N 444.948 5.059 30 10 IKEE C=CCCC1([C@H](NCC)c2cccc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2281048920 VSBOBHPWESDSKZ-GOSISDBHSA-N 441.385 5.442 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)c(OC)c1 2281462243 BOEILPRWLBKXCF-HKUYNNGSSA-N 441.410 5.358 30 10 IKEE CCn1cc(C=C2Oc3cc(OCc4ccc(F)cc4Cl)ccc3C2=O)c2ccccc21 2296871792 FOPXAJBARZWKLR-UHFFFAOYSA-N 447.893 6.649 30 10 IKEE COc1ccc(C=C2SC(=Nc3ccc(Cl)cc3C(F)(F)F)NC2=O)c(OC)c1 2296882963 GRGJAQWAZGWUTR-UHFFFAOYSA-N 442.846 5.268 30 10 IKEE CCCCCCCCOc1ccc(C=C2N=C(c3ccc(CCCC)cc3)OC2=O)cc1 2297412374 QPJHLLMCIBVQMG-UHFFFAOYSA-N 433.592 7.113 30 10 IKEE C=CCOc1ccc(C=C2SC(=O)N(CNc3ccc(Cl)cc3)C2=O)cc1OC 2297457953 YCRSQGDLUVZWJE-UHFFFAOYSA-N 430.913 5.019 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(N=Cc3c[nH]c4ccccc34)cc2)cc1[N+](=O)[O-] 2313517518 JWYUHUOHGRJNDB-UHFFFAOYSA-N 425.444 5.731 30 10 IKEE CC(C=Cc1ccccc1)=NNc1nc(SCCCCOC(=O)c2ccccc2)n[nH]1 2314007077 GCUIHMVLCHDFMD-UHFFFAOYSA-N 435.553 5.035 30 10 IKEE CC(=Cc1ccccc1)C=C1SC(=NN=Cc2ccc(O)cc2)N(Cc2ccco2)C1=O 2314818484 GWPCDCHUSNSEHY-UHFFFAOYSA-N 443.528 5.438 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1cccc(OC)c1O 2321048159 GWLXWRHHCRQACT-UHFFFAOYSA-N 437.352 5.036 30 10 IKEE Cc1ccc(C)c(CSc2nncn2N=Cc2cccc(OCc3ccccc3)c2)c1 2321286620 FLQGBYSYBDWFNU-UHFFFAOYSA-N 428.561 5.648 30 10 IKEE COc1cc(OC)c(OC)cc1C=C1Oc2cc(OCc3ccccc3C)cc(C)c2C1=O 2321742648 TXWAXTIACJIDLW-UHFFFAOYSA-N 446.499 5.524 30 10 IKEE CCn1cc(C=C2Oc3cc(OCc4ccccc4F)cc(C)c3C2=O)c2ccccc21 2321794185 CNBHRVLKHFMINI-UHFFFAOYSA-N 427.475 6.304 30 10 IKEE Cc1ccc(COc2cccc(C=Nn3c(S)nnc3-c3ccccc3Cl)c2)cc1 2321993299 GYPKQHMMQCAAKZ-UHFFFAOYSA-N 434.952 5.657 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2ccc(Cl)cc2)cc1 2322612730 LBWXHFKXNQXKGE-UHFFFAOYSA-N 436.935 6.613 30 10 IKEE O=C(C=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12)c1ccc2c(c1)OCO2 2322698353 GMEZNINHYUEJMV-UHFFFAOYSA-N 426.443 6.183 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1ccc2c(c1C)OC(=Cc1cccc(C)c1)C2=O 2322760112 XNZNNKHXVPLAPP-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccccc1OCC(=O)Nc1cccc(C)c1 2322922789 ZGQTUFUQHPQPEU-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OC(=O)C=Cc4ccc(F)cc4)c3C)C2=O)cc1 2323046741 SAWMVVXJUOBUIN-UHFFFAOYSA-N 428.459 5.932 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2)c(Br)c1OCc1ccccc1 2323218716 AXBUFOLTGUXKKE-UHFFFAOYSA-N 441.296 6.072 30 10 IKEE O=C1C(=Cc2cccs2)Oc2cc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])ccc21 2323281157 IFNPGVXQXUNOGA-UHFFFAOYSA-N 427.821 5.145 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 2323370418 DSKPTCSPKKRYNX-UHFFFAOYSA-N 430.460 5.071 30 10 IKEE COC(=O)c1ccc(C=C2Oc3c(ccc(OC(=O)CC4CCCCC4)c3C)C2=O)cc1 2323485900 DOJCHMMHLVMDPP-UHFFFAOYSA-N 434.488 5.274 30 10 IKEE Cc1c(OC(=O)c2cccc(OCC(C)C)c2)ccc2c1OC(=Cc1cccs1)C2=O 2323580318 XLNLWDWBICVRNB-UHFFFAOYSA-N 434.513 5.927 30 10 IKEE Cc1c(OCC(=O)OCc2ccccc2)ccc2c1OC(=Cc1ccccc1Cl)C2=O 2324233762 WSMFQYZRLPHXAB-UHFFFAOYSA-N 434.875 5.387 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1Cl)Nc1ccc(F)cc1 2324241545 HDQBPRLAYGIDNK-UHFFFAOYSA-N 445.824 5.671 30 10 IKEE Cc1cc(OCCCc2ccccc2)cc2c1C(=O)C(=Cc1ccc(Br)cc1)O2 2324269579 YBHFWTYSPXYNPQ-UHFFFAOYSA-N 449.344 6.385 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c([N+](=O)[O-])c2)cc1C 2324451307 XNTOMPPWRAFYMH-UHFFFAOYSA-N 432.432 5.595 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c(OC)c1 2324478126 VQAWFXSVPJNCHG-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OCC(=O)NC2CCCCC2)cc1 2324522575 NCQWGNNOECTIAY-UHFFFAOYSA-N 441.955 5.381 30 10 IKEE Cc1cccc(OCCOc2cc(C)c3c(c2)OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)c1 2324537059 KXLTVMDHOFIVTI-UHFFFAOYSA-N 442.555 6.675 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)c(OC)cc2C)ccc1OCc1cccc(F)c1 2324644477 DOVAAVGSXFPVQD-UHFFFAOYSA-N 434.507 6.325 30 10 IKEE CCc1ccc(NC(=O)[C@H](CC)Oc2ccc3c(c2C)OC(=Cc2cccs2)C3=O)cc1 2324817094 DNKVGCLSMOICFP-NRFANRHFSA-N 447.556 6.031 30 10 IKEE O=C1C(=Cc2ccccc2OC(F)F)Oc2cc(OCc3cccc4ccccc34)ccc21 2325272598 GJYRGRWIGZIVGI-UHFFFAOYSA-N 444.433 6.636 30 10 IKEE O=C(C=Cc1ccc(F)cc1F)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1 2325589370 KHHYQJDERGBNPC-UHFFFAOYSA-N 427.834 5.418 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)CCCOc3ccccc3)c2)cc1 2325704312 NSDWOXLKEHUTJV-UHFFFAOYSA-N 444.527 5.918 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1 2325715760 LNJAUYTZSDBZLA-UHFFFAOYSA-N 441.527 6.061 30 10 IKEE COc1cccc(C(=O)Oc2cc(C=CC(=O)c3cc(C)c(OC)cc3C)ccc2OC)c1 2325770350 YENDRJXJMJCTEO-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1c(Cl)cccc1Cl 2326867991 MPIQBMDLGHQPDC-UHFFFAOYSA-N 435.424 5.948 30 10 IKEE C=C(C)CSc1nnc(CCc2cccs2)n1N=Cc1c(OC)ccc2ccccc12 2329662427 UKCCCPJSVMMKJH-UHFFFAOYSA-N 448.617 5.837 30 10 IKEE CSc1nnc(Cc2ccccc2F)n1N=Cc1ccc(OCc2ccccc2)cc1 2329699601 GRKZCGDJZLLBPY-UHFFFAOYSA-N 432.524 5.191 30 10 IKEE Fc1cccc(C=Nn2c(SCc3ccccc3Cl)nnc2-c2cccs2)c1 2330583954 JUCOUYNKQMNHIR-UHFFFAOYSA-N 428.945 5.974 30 10 IKEE O=C(Cc1ccccc1F)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1 2330802136 CULNIEQISJANRD-UHFFFAOYSA-N 429.274 6.177 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)(C)C)n2N=Cc2cccc3ccccc23)c1 2330849414 HTYCRZJEKZCPBG-UHFFFAOYSA-N 442.632 6.811 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3c(C)cccc3C)cc2)cc1 2330952287 LFNFPHLFOOJUNA-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE Fc1ccccc1CSc1nnc(C(F)(F)F)n1N=Cc1ccc(C(F)(F)F)cc1 2331136326 DGJSLZSNFOGTIL-UHFFFAOYSA-N 448.367 5.629 30 10 IKEE COc1ccccc1C=Nn1c(SCc2ccccc2Cl)nnc1C(F)(F)F 2331138286 CJWSWRBZVWYKGW-UHFFFAOYSA-N 426.851 5.133 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2Br)c1 2331167942 VLINTGXXGUTZFC-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)c3cc(Cl)ccc3Cl)cc2)ccc1F 2331332793 NGOYWDHBPXYLPJ-UHFFFAOYSA-N 429.274 6.556 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3F)c(Cl)c2)ccc1F 2331337275 NWXZXPOYCPXDPI-UHFFFAOYSA-N 426.846 5.971 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Br)c1OC(=O)C1CC1 2331343562 CCRPNDJEARGDLT-UHFFFAOYSA-N 433.273 5.117 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1Cl 2331437983 NILDVLISCYFKBX-UHFFFAOYSA-N 436.847 5.193 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C)cc(C)c3OC)cc2)c1 2331660222 WQPVEIAJPNHICE-UHFFFAOYSA-N 430.500 5.826 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)ccc1OC(=O)C(F)(F)F 2331750514 KNOBZEWIBAUMRB-UHFFFAOYSA-N 442.817 5.420 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1 2331762677 BTAXHGSDUYJYGR-UHFFFAOYSA-N 430.500 5.744 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)CCCSC)c([N+](=O)[O-])c2)cc1C 2331851180 PGEPKYPOUHSRAP-UHFFFAOYSA-N 443.521 5.165 30 10 IKEE Cc1cc(Br)cc(C)c1Nc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2364850648 ZKMBNMDEAACZNM-UHFFFAOYSA-N 437.574 5.157 30 10 IKEE Oc1ccccc1/C=N/c1ccc(OCC(F)(F)C(F)F)c(/N=C/c2ccccc2O)c1 1431164 DDSPTHDSXRVZRM-UUYAOZHUSA-N 446.400 5.878 30 10 IKEE CC(C)CNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(F)cc1 14606051 FFFJCFKUYPGQSU-AREMUKBSSA-N 449.570 5.214 30 10 IKEE COc1ccc(-c2cc(/N=C\c3ccccc3)c3cc(OC)c(OC)cc3c2)cc1OC 15772403 ZWGOSCGSZRNMBM-QRQIAZFYSA-N 427.500 6.292 30 10 IKEE COc1ccc(/N=C/c2ccc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccccc3)cc2)cc1 15772827 WNFWEPMODNMMEE-SSQLPREDSA-N 445.566 7.110 30 10 IKEE CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc(C2(C#N)CCCC2)cc1 20972757 VWVXWDJGBFBKTK-UHFFFAOYSA-N 427.342 5.581 30 10 IKEE C=CCn1c(S[C@H](C(=O)Nc2cccc(C(C)=O)c2)c2ccccc2)nnc1C1CC1 21143706 UFSXKRLTDPWACE-NRFANRHFSA-N 432.549 5.016 30 10 IKEE CCCOc1ccc(C(=O)/C(=C\c2cc(OC)ccc2OC)c2nc3ccccc3o2)cc1 38204171 BCKXJZBWRSMESK-OQKWZONESA-N 443.499 6.057 30 10 IKEE C=CCc1ccccc1OCCCn1c(COc2cc(C)ccc2C)nc2ccccc21 40234357 GFPAFCBSTAKPRA-UHFFFAOYSA-N 426.560 6.430 30 10 IKEE N#Cc1ccccc1CN1C(=O)COc2ccc(-c3csc(Cc4ccccc4)n3)cc21 40605972 OVCCGBRGRGTAJP-UHFFFAOYSA-N 437.524 5.198 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3c(ccc4c3CN([C@@H](C)c3ccccc3)CO4)C2=O)c1 41654912 PGMVDLGNHQLMIU-MQKZQLNTSA-N 443.499 5.233 30 10 IKEE Cc1ccc(N/N=C2\C(=O)N(Cc3ccc(F)cc3)c3ccc(Br)cc32)cc1 59166081 CLRDIYFPFGNIIU-QLYXXIJNSA-N 438.300 5.260 30 10 IKEE COc1cc(/C=C/C(=O)N[C@H](c2ccc(Cl)cc2)c2ccsc2)ccc1OCC#N 72026944 WCLJNGHETJPSOT-WRXCPWQDSA-N 438.936 5.231 30 10 IKEE CCCCCCCOc1ccc(NC(=O)COc2ccc(C)cc2Br)cc1 100155306 PLNLBKNQUSKHHT-UHFFFAOYSA-N 434.374 6.124 30 10 IKEE CCCCCCCCn1c([C@H](C)NC(=O)COc2cc(C)ccc2C)nc2ccccc21 102129632 GIHXOYBAAXCMOD-QFIPXVFZSA-N 435.612 6.270 30 10 IKEE Cc1[nH]n(-c2ccc3ccccc3c2)c(=O)c1C=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1 135969751 QKSJXDFOBZETRJ-UHFFFAOYSA-N 440.587 6.538 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OCC(=O)Nc1ccccc1 164515187 HOIMDYLUXPZHIF-RVDMUPIBSA-N 437.495 5.762 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(OC)cc2)c1 169921567 FVZNWXGVBWOLRR-QHCPKHFHSA-N 447.462 5.016 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2cccc(F)c2)cc1 169921655 KDHIZWGEUMMRES-NRFANRHFSA-N 437.854 5.271 30 10 IKEE CCCOc1c(Cl)cc(/C=N\Nc2nc(-c3ccc(C)cc3)cs2)cc1OCC 169942679 PZJXZILMEVYETE-CFRMEGHHSA-N 429.973 6.405 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccc(O)cc2)c1 169960578 VXGSGIURVVAKDM-HSZRJFAPSA-N 431.463 5.239 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2Cc2ccc(F)cc2)c1 169972398 LDKKXGPDYAKBFT-DEOSSOPVSA-N 429.491 5.529 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1c[nH]c2ccccc12)c1cccc(Cl)c1 170074806 KCOWBXOUCINTHL-JOCHJYFZSA-N 444.874 5.310 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccco2)cc1Cl 170092179 KRFOJNRBULWJDL-OAQYLSRUSA-N 449.846 5.471 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(OC(C)C)c1 170153524 HZFQSGGTJKEOMS-HXUWFJFHSA-N 448.346 5.769 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(CCOC(C)C)[C@H]1c1cccs1 170155099 ODPIMPYNILIKJR-NRFANRHFSA-N 441.593 5.357 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@H]1c1cccs1 170161382 ZAHWXLSPOZXVIH-HSZRJFAPSA-N 447.556 5.874 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccncc2)cc1C 170205648 UHUMUUCXHQSJGE-DEOSSOPVSA-N 442.515 5.188 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2ccccc2)cc1 170229178 CRRFIYFDPQMQIR-QFIPXVFZSA-N 435.426 5.146 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccc(F)cc1 170240059 IWGVCNMLGKSZKQ-HSZRJFAPSA-N 426.447 5.398 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(F)cc1 170244320 YKINMUNBNGZLES-FQEVSTJZSA-N 443.902 5.317 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1F)c1ccc2c(c1)CCCC2 170251587 OHIALVVPTTUEQY-XMMPIXPASA-N 433.523 5.616 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@@H]1c1ccco1 170282590 STGOIHAXZFACLJ-JOCHJYFZSA-N 431.488 5.305 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(C)o2)cc1 170300692 ATFQNJWEZJDZSF-HSZRJFAPSA-N 427.456 5.680 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccc(C)o1 170309982 JARGFWVKOLCMCQ-QFIPXVFZSA-N 425.525 5.391 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1sccc1C 170316380 OBDCJSPZCAXYSL-OAQYLSRUSA-N 449.572 6.034 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(Cc2ccc3c(c2)OCO3)[C@@H]1c1ccc(C(C)(C)C)cc1 170471764 HEXSTRNUWURSJX-XMMPIXPASA-N 449.547 5.224 30 10 IKEE N#Cc1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)oc(-c2ccccc2)c1-c1ccccc1 170494015 RRMSYHUMRRIUQE-UHFFFAOYSA-N 443.846 6.299 30 10 IKEE C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](OC(=O)Nc1ccccc1)c1ccnc2ccc(OC)cc12 197015030 WAGNPFQJAGQEKD-CTOUCQIYSA-N 443.547 5.430 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)c2cccc(NC(C)=O)c2)cc1 210053127 KHBXUYNOVHDZBE-SSZFMOIBSA-N 437.499 5.402 30 10 IKEE O=[N+]([O-])c1ccc(/C=C/C=Nc2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)cc1 252644135 ZZTDCIIRPGOJRR-VOGNUWCJSA-N 438.270 7.126 30 10 IKEE COc1cc(C=NNc2ccc([N+](=O)[O-])cc2)ccc1OCCCOc1ccc(C)c(C)c1 254449015 KBQANRFRCMGRBN-UHFFFAOYSA-N 449.507 5.514 30 10 IKEE CCCOc1cccc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)c1 526516999 QURSGRXULASWRY-XMMPIXPASA-N 444.918 6.058 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1c(Cl)cccc1Cl 526811437 KPPPGAQALXKVFD-MXAYSNPKSA-N 447.435 6.719 30 10 IKEE C=CCCN(C(c1ccccc1)c1ccccc1)S(=O)(=O)c1cc(OC)ccc1OC 586141989 URQXYPKGWPWUCL-UHFFFAOYSA-N 437.561 5.060 30 10 IKEE C#CCCCCC[C@H](NCCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 686706855 XFGVDHFKZWOBDV-FQEVSTJZSA-N 437.422 6.421 30 10 IKEE CCOc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)cc1 698456908 JSOROSGOYZMBCK-LJQANCHMSA-N 431.330 5.854 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2ccc(Br)c(Cl)c2)cc1 698852782 SGGXYBFWJCVADF-GOSISDBHSA-N 435.749 6.417 30 10 IKEE C=CCCCCC[C@@H](O)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 708596235 CVCILOLUIQKTQA-RTBURBONSA-N 426.395 5.382 30 10 IKEE Cc1ccc(C(CSc2nc3ccccc3[nH]2)=NNc2cccc([N+](=O)[O-])c2)c(C)c1 1084180502 LRJIYWZAXNHFOZ-UHFFFAOYSA-N 431.521 5.696 30 10 IKEE CC(C)[C@H]1CC[C@@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@@H](O)CC[C@@]34C)[C@@H]12 1307332477 FULWGFMPSBYUOW-AMXZUDFWSA-N 442.728 7.284 30 10 IKEE COc1ccccc1-c1ccc(C(=O)Nc2sc3c(c2C#N)C[C@H](C)C[C@@H]3C)c(O)n1 1460374675 AIXSEAUOYSRMKO-KGLIPLIRSA-N 433.533 5.334 30 10 IKEE C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCCCN(Cc2ccccc2)C1 1508017656 UHRSJZFLCNEYDX-JWQCQUIFSA-N 449.643 5.000 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=Nc1ccccn1 1772731755 PUBYNPMWRJMYJU-NSMWAFFQSA-N 432.461 5.040 30 10 IKEE O=C1/C(=C\c2ccncc2)SC(=Nc2nc(-c3ccccc3)cs2)N1c1ccccc1 1772733980 CMVPMBIYVYZCAH-ZJRBDENDSA-N 440.553 6.014 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(-c3ccccc3Cl)o2)SC1=Nc1ccncc1Cl 1772734041 OSFNFRWYTUWCHS-XRRPQMRDSA-N 444.343 6.272 30 10 IKEE O=C1/C(=C/c2ccc(Br)o2)SC(=Nc2nccs2)N1c1ccccc1 1772735644 RFQDOMVQPXLCFB-TZJGTLJJSA-N 432.324 5.307 30 10 IKEE COc1ccc(/C(C)=C2/SC(=Nc3ccncc3Cl)N(C3CCCCC3)C2=O)cc1 1772736516 LJOYTUKNVXTGGW-DHPBROCDSA-N 441.984 6.070 30 10 IKEE Cc1c(C(=O)NCc2ccccc2)oc2c1C(=NNc1cccc(C(F)(F)F)c1)CCC2 1772750467 APFLGQNVYXNCSV-UHFFFAOYSA-N 441.453 5.689 30 10 IKEE C/C=C\[C@H]1[C@@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C 1775963411 YDPYMUVKYRYLFR-UZLKPIPISA-N 431.620 5.815 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccc2OCc2ccc(Cl)cc2)c1 1858732962 VPYAFEJZFHXCGP-UHFFFAOYSA-N 435.955 6.404 30 10 IKEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)c1ccc2nc(CC(C)C)[nH]c2c1 1861452647 UNTQRXQWWQCWRZ-UHFFFAOYSA-N 442.648 5.527 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2cccc(Cl)c2)cc1C 1862403206 PXRCLEFAOAKJJO-NRFANRHFSA-N 427.928 5.281 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862408634 QOYKJNSMDQQPOZ-IBGZPJMESA-N 434.319 5.299 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(F)cc2F)=C(O)C(=O)N1CCCc1ccccc1 1862411398 HCKIQSXTYZQBOA-DEOSSOPVSA-N 447.481 5.484 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@H]2c2ccccc2C)c1 1862429917 XQCJQNOFIRMNJI-XMMPIXPASA-N 445.946 6.044 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(C)cc1 1862523251 CQUVMRLKDTYLIF-LIRRHRJNSA-N 428.326 5.134 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2ccc(CC)cc2)cc1 1862529582 IANPUBWJWCRXRJ-XMMPIXPASA-N 445.584 5.694 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862559206 JPLFYSCKIICTSV-DEOSSOPVSA-N 446.547 5.136 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccccc1F 1862590084 AQXBBVRDOZUZHI-HTAPYJJXSA-N 425.500 5.469 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1cccc(F)c1 1862591050 UCCQAJWEQQJMJW-DENIHFKCSA-N 425.500 5.469 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)cc1 1862613771 PCBQLDOUAJDVGJ-RZPHLTDDSA-N 445.603 6.450 30 10 IKEE COc1cc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCC(C)C)ccc1O 1862654215 XUCRDBPQWCUYKM-XMMPIXPASA-N 445.515 5.178 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(Cl)cc1Cl 1862667745 JDIRSPLMFXWWJV-HXUWFJFHSA-N 432.347 6.105 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(F)cc1F)c1ccc(F)cc1 1862675575 ORJWQQJXENPAGW-OAQYLSRUSA-N 441.380 5.022 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc([N+](=O)[O-])cc1 1862717372 BLDDYOUXVRWRNE-IVZQSRNASA-N 430.460 5.125 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2C2CC2)c1 1862724981 YGPHFYXJMJNPEX-XMMPIXPASA-N 425.484 5.103 30 10 IKEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccccc2C)cc1 1862733902 ZSYIDKLFAWTYFY-RUZDIDTESA-N 447.575 6.085 30 10 IKEE COc1ccccc1C1=C(Nc2ccc3ccccc3c2)C(=O)N(c2ccccc2C#N)C1=O 1863065348 JYSRONDZKPLCPB-UHFFFAOYSA-N 445.478 5.117 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccccc3Cl)C2=O)cc1Cl 1863074343 NARFDVDIJXXPCO-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE N#Cc1ccccc1NC1=C(c2cccc3ccccc23)C(=O)N(Cc2ccccc2F)C1=O 1863230683 KWCOXBUZSJYBSP-UHFFFAOYSA-N 447.469 5.243 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(SC)c2)=C(c2ccc(C)cc2)C1=O 1863273002 KUOZFBONALNRAY-UHFFFAOYSA-N 436.621 6.269 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(C)ccc2C)=C(c2cc(C)ccc2C)C1=O 1863396224 VYRKVEBJOZEQAQ-UHFFFAOYSA-N 432.608 6.473 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(CC)cc2)=C(c2ccc(F)c(C)c2)C1=O 1863454666 DEWHYVXGUJEBHV-UHFFFAOYSA-N 436.571 6.249 30 10 IKEE CCCCCCCCNC1=C(c2ccc(C)cc2)C(=O)N(CCc2ccc(F)cc2)C1=O 1863612513 MBAASSCUEOHWTR-UHFFFAOYSA-N 436.571 5.407 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)O 1866029617 VZGRHFGXIIUPGQ-RUZDIDTESA-N 449.651 7.199 30 10 IKEE Cc1ccc(C)c2c1C[C@@H](C)CN2c1cc(Nc2ccccc2C#N)nc(C(C)(C)C)n1 1868350603 LPRXQGWRQWCSAP-QGZVFWFLSA-N 425.580 6.337 30 10 IKEE N#Cc1cccc(Nc2cc(N3CC[C@@H](c4ccco4)C3)nc(-c3ccc(Cl)cc3)n2)c1 1868424402 VJMXKOCRTKSNRZ-LJQANCHMSA-N 441.922 5.999 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](CCC)NC(=O)[C@@H](CC(C)C)c1cccc(Br)c1 1869012888 FWVXBPDCUOXIDI-LEWJYISDSA-N 449.433 5.064 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC[C@@H]2c2nc3c([nH]2)CCCC3)nc(-c2ccccc2)n1 1869214128 NGUGOYZFGTUNLR-HSZRJFAPSA-N 440.595 5.265 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)Nc2ccc(Cl)cc2C)c(=O)cc1C 1870084938 CWPOMMYLOPNSFU-UHFFFAOYSA-N 447.019 6.277 30 10 IKEE CCCCCCCCCCNC(=O)c1cn(-c2ccc(N3CCCC3)cc2)c(=O)cc1O 1870133143 MALHFNNJMDJHNQ-UHFFFAOYSA-N 439.600 5.014 30 10 IKEE CCCCCCCCn1cc(OCC2CCCCC2)c(=O)cc1CN1CCC(O)CC1 1870482933 HAUQKJZUSSHYBN-UHFFFAOYSA-N 432.649 5.125 30 10 IKEE CCCCCCCCn1cc(OCc2cccc(F)c2)c(=O)cc1CN1CCCCC1 1870614633 VSMBCGWLVAODHF-UHFFFAOYSA-N 428.592 5.913 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(C)cc2)c(CNc2ccc(C)cc2)cc1=O 1870839528 OGFQNVATKGIVAM-UHFFFAOYSA-N 432.608 6.475 30 10 IKEE C#CCOc1cn(CCC2=CCCCC2)c(CNc2ccc(Cl)c(Cl)c2)cc1=O 1871008606 DWWBOHDBZSBEGG-UHFFFAOYSA-N 431.363 5.670 30 10 IKEE Cc1c(OC(=O)Cc2cc(Cl)ccc2Cl)ccc2c1O/C(=C\c1cccs1)C2=O 1871376532 PLSDOZWWGCESOX-ODLFYWEKSA-N 445.323 6.128 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3c(ccc(OC(=O)/C=C/c4cccs4)c3C)C2=O)c1 1871381492 XSRRREZDNCBFEC-XNHXLOTDSA-N 448.496 5.309 30 10 IKEE Cc1cc(OC(=O)COc2ccc(Cl)cc2)cc2c1C(=O)/C(=C/C=C/c1ccccc1)O2 1871381510 YILMAOLSYQDYFZ-UPFJJGCZSA-N 446.886 5.805 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(CN4CCC[C@@H](C)C4)c(O)cc(C)c3C2=O)cc1 1871396850 YXHAAOVANGZKCR-BEXDPUPVSA-N 434.580 5.395 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccc(OC)cc4)c3C)C2=O)cc1 1871456906 DAGCNZVFNCXBFQ-IWIPYMOSSA-N 443.499 5.200 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1cc(C)ccc1C 1871762408 BJOXEKYXWLYHQN-HSZRJFAPSA-N 442.625 5.376 30 10 IKEE N#C[C@H](C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nc(-c2cccc3ccccc23)cs1 1872774884 FDHXDGKKXJUHIP-LJQANCHMSA-N 444.428 5.270 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccc(Cl)cc3)n2)c(OC)c1 1872784210 QAWDYFANHWJFFR-ACJLOTCBSA-N 442.924 5.124 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@H](C#N)C(=O)c2ccc(OCC(C)C)cc2)n1 1872788493 JLLSUGBMKQKLSS-LJQANCHMSA-N 440.952 5.997 30 10 IKEE C=CCN(CC=C)C(=O)c1ccc2nc(SCCOc3ccc(Cl)cc3)[nH]c2c1 1872816899 XUVRUFUMMMLKIU-UHFFFAOYSA-N 427.957 5.202 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H]2CCCC[C@H]2C)=C(c2cccc3ccccc23)C1=O 1873027096 QSVRXYMOIQLZKC-PXDATVDWSA-N 446.635 6.449 30 10 IKEE C=CCN1C(=O)C(Nc2cc(C(F)(F)F)ccc2Cl)=C(c2cc(F)cc(F)c2)C1=O 1873315708 DZJJBFNEBWCWSE-UHFFFAOYSA-N 442.771 5.015 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/Nc2ccc(C(=O)O)cc2)cc1C 1873499172 IDTAXYGGKJUYGL-CVKSISIWSA-N 426.476 5.001 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(C(C)(C)C)cc1)n2CC=C 1873656817 NRKURRQSEIAYQR-UHFFFAOYSA-N 429.568 5.346 30 10 IKEE C=CCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1cccc2ccccc12 1873685524 XRKWGXKPFPHUKD-UHFFFAOYSA-N 444.556 5.529 30 10 IKEE CCOc1ccc(OCc2nnc(SCC)n2/N=C/c2cccc3ccccc23)cc1 1874235563 PKDYEUOYLQARAG-PCLIKHOPSA-N 432.549 5.403 30 10 IKEE C=C(C)CSc1nnc(COc2c(C)cccc2C)n1/N=C/c1ccc(Cl)cc1 1874299865 XBKGVSXIVYKAKK-WYMPLXKRSA-N 426.973 5.678 30 10 IKEE Fc1ccc(CSc2nnc(CCCOc3ccccc3)n2/N=C/c2ccco2)cc1 1874316515 WXEXSZVYWRWLGM-PCLIKHOPSA-N 436.512 5.196 30 10 IKEE Clc1ccccc1CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccccn1 1874365498 FYZKTWWIGAKWLV-DHRITJCHSA-N 440.359 5.821 30 10 IKEE Oc1cccc(/C=N/n2c(Cc3ccccc3F)nnc2SCc2cccc(F)c2)c1 1874374820 OYQYSSKVSGRMTB-VULFUBBASA-N 436.487 5.027 30 10 IKEE Cc1ccccc1CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1cccc(O)c1 1874392444 MCVAVUNPEWBWRJ-DZTFFZQKSA-N 428.561 5.618 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@@H](C)c3ccccc3)n2/N=C/c2ccccc2)c1 1874394987 AMAPLCVATYGAGY-XLKFHUSGSA-N 426.589 6.221 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCCc2ccccc2)n1/N=C/c1ccc(F)cc1 1874400575 UGESFERKBVCATK-WRGIWNTCSA-N 430.552 5.786 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2)n1/N=C/c1ccc(Br)cc1 1874403244 WMFGNSBALLTHBD-OEAKJJBVSA-N 441.398 5.376 30 10 IKEE COc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2cccc(F)c2)cc1 1874406252 FBEZUKPFLCOYOH-WGOQTCKBSA-N 438.572 5.723 30 10 IKEE Cc1ccsc1/C=N/n1c(Cc2ccccc2)nnc1SCc1ccccc1Cl 1874416649 AQPQZFMSPPSRTR-ZVHZXABRSA-N 439.009 6.067 30 10 IKEE Clc1cccc(Cl)c1/C=N/n1c(SCc2ccccc2)nnc1-c1cccs1 1874422305 FQMZRWQZVNGTRA-FSJBWODESA-N 445.400 6.488 30 10 IKEE Cc1ccc(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2ccccc2OC(C)C)cc1 1874444494 YBUJJNLAWAVNEN-IBUSPFOHSA-N 436.581 5.400 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCC(=O)OCCC)nnc2C2CCCC2)cc1 1874457943 PEAXLVXIXIHFKM-LFVJCYFKSA-N 444.601 5.042 30 10 IKEE FC(F)(F)c1nnc(SCc2cccc(Cl)c2)n1/N=C/c1cccc(Cl)c1 1874462937 LPKNTMOICDZFPN-NUGSKGIGSA-N 431.270 5.778 30 10 IKEE Fc1cccc(Cl)c1/C=N/n1c(SCc2ccccc2Cl)nnc1-c1ccco1 1874466903 IBDUWOHWVVUFJZ-BHGWPJFGSA-N 447.322 6.159 30 10 IKEE Clc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2-c2ccco2)cc1 1874467452 JRUSIBPSKVHLGI-CVKSISIWSA-N 444.947 6.519 30 10 IKEE CCCOc1cccc(/C=N/n2c(CCOC)nnc2SCc2cc(C)ccc2C)c1 1874472752 VWNDOTTWLPILMJ-PCLIKHOPSA-N 438.597 5.047 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(OCC)cc1 1874479037 FNBUOISEBNCUSH-OVVQPSECSA-N 444.604 6.347 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2ccc(Cl)c(Cl)c2)nnc1C(C)(C)C 1874485794 MYAGNYRFPQDZDT-WYMPLXKRSA-N 449.407 6.066 30 10 IKEE CC(C)Cc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1cccc(O)c1 1874490633 BNIKYSSJVIQMJD-FOKLQQMPSA-N 435.380 5.664 30 10 IKEE COCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccccc1Cl 1874506244 UCDJSZRTWKHFIL-LSFURLLWSA-N 441.771 5.559 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C2CC2)c1 1874522784 LCFUQLDCYSSUKA-WYMPLXKRSA-N 430.936 5.521 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)cc1 1874574855 JEXXVNKZLUHYNB-FOCLMDBBSA-N 428.915 6.977 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCCc1ccccc1)c1ccc(Cl)c(Cl)c1 1874579324 IOBUPPPLQYKFLT-JXMROGBWSA-N 431.746 7.164 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(F)c(C)c2)c1OCC(=O)Nc1ccc(F)cc1 1874581555 SSCFSQKGVXCVMB-NTUHNPAUSA-N 437.442 5.195 30 10 IKEE Cc1cccc(NC(=O)COc2ccccc2/C=C/C(=O)c2cccc3ccccc23)c1C 1874582290 HODMABLQSYJIPG-ISLYRVAYSA-N 435.523 6.370 30 10 IKEE Cc1ccc(COc2ccc3ccccc3c2/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1 1874590406 JQKCTUDKTWRMHH-ISLYRVAYSA-N 448.606 8.229 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OCC(=O)Nc1cc(C)cc(C)c1 1874596511 QDCBXKXMGWYLLH-JXMROGBWSA-N 443.543 5.842 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)N[C@@H](C)c3ccccc3)c2)c(C)c1C 1874598267 DGKPLDBATBPNJD-AXDNMFEOSA-N 443.543 5.464 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3cc(C)cc(C)c3)c2)c(OC)c1 1874599080 USRVROQYDNMXJL-DHZHZOJOSA-N 445.515 5.234 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1cccc(OCc2cccc(Cl)c2)c1 1874599289 FWGMARMDJOWTRV-CMDGGOBGSA-N 447.745 7.131 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1OCc1ccccc1C 1874625691 RHCAPYGOKHCKHU-MDWZMJQESA-N 435.451 5.916 30 10 IKEE COc1ccccc1CC(=O)Oc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OC 1874696672 AMIXWOCJCQQMCE-ACCUITESSA-N 436.891 5.401 30 10 IKEE Cc1cc(C(=O)/C=C/c2cccc(OC(=O)COc3cc(F)ccc3F)c2)ccc1F 1874703855 KZLPKQXWGIWSFR-BJMVGYQFSA-N 426.390 5.293 30 10 IKEE COc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 1874705928 HJQXOSUSQZFZGS-CAOOACKPSA-N 444.527 5.873 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OC(=O)CSc1ccccc1 1874710199 WYELEYXRZBQHOQ-YRNVUSSQSA-N 440.467 5.567 30 10 IKEE C=CCN(CC=C)CCC(=O)c1ccc(NC(=O)CCCOc2ccc(Cl)cc2)cc1 1874751378 GEWGHJBMTQZEKP-UHFFFAOYSA-N 440.971 5.385 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2cccc3ccccc23)CSc2nnc(C3CC3)n21 1874849750 MCVYUWVPPSUSLD-QHCPKHFHSA-N 448.636 6.371 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)ccc1OC(=O)CSc1ccccc1 1875101269 QQKFCTCRKRFWKZ-WYMLVPIESA-N 448.540 5.688 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3ccc(F)cc3)c(OC)c2)c1 1875101376 MUJIFAMCMWRINH-IZZDOVSWSA-N 440.854 5.612 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1OC 1875125673 UXQJAGQCOAKXSU-RIYZIHGNSA-N 436.891 5.863 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)Cc1ccccc1OC 1875129269 SENIZNGIRHPZGR-FOCLMDBBSA-N 442.511 5.477 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3c(C)cccc3C)cc2)c(C)c1 1875131358 TXUNYOIQFNTCLZ-GHRIWEEISA-N 442.555 6.581 30 10 IKEE Cc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2Br)c1 1875135064 YACZXYKHOVVRMT-DHZHZOJOSA-N 449.344 6.490 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)CCCSC 1875141202 SLIAFSBDWMNTHQ-RMKNXTFCSA-N 436.932 5.741 30 10 IKEE N#CC1(c2ccccc2)CCN(C(=O)c2ccc(-c3nc4ccccc4s3)s2)CC1 1891590256 JWQQIDCVNBZZSX-UHFFFAOYSA-N 429.570 5.722 30 10 IKEE CCN(CC)c1cccc(OCC#CCNC(=O)c2cccc(Oc3ccc(C)cc3)c2)c1 1891739000 BUMRFAVNLXWNEQ-UHFFFAOYSA-N 442.559 5.446 30 10 IKEE C=C(CC)CSC(C)(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1892307459 MERQLSDVADBDGJ-QFIPXVFZSA-N 439.577 5.456 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1ccc(Cl)cc1I 1901578592 MGTYHFPKELNGPI-IBGZPJMESA-N 441.740 5.368 30 10 IKEE CCCCCCCCCC[C@@H](CCCN(Cc1ccccc1)C(=O)OC(C)(C)C)NCC 1915227792 DYRPXENWTYUINA-SANMLTNESA-N 446.720 7.713 30 10 IKEE C[Si](C)(C)C#CCNc1cc(Br)c(Br)c(Br)c1 1916217668 HKURAEGHCQCXRQ-UHFFFAOYSA-N 440.049 5.267 30 10 IKEE CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 1945821608 KQWRMQXQVACFJO-AZUAARDMSA-N 437.625 5.635 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)NCCC 2005212874 LXTMNGLOHHBWFQ-GOTSBHOMSA-N 430.633 5.411 30 10 IKEE CC[C@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2014644662 JJYSOIRVODFTQO-WZONZLPQSA-N 433.524 5.249 30 10 IKEE COc1cccc(C=C2CN(Cc3ccccc3)CC(=Cc3cccc(OC)c3)C2=O)c1 2053610834 AIQWHIYOLDHKFR-UHFFFAOYSA-N 425.528 5.256 30 10 IKEE CCOC(=O)c1c(C(C)(C)C)nn(-c2ccc(F)c(C(F)(F)F)c2)c1C(F)(F)F 2079039474 GXHOGDCUSWVNHA-UHFFFAOYSA-N 426.332 5.523 30 10 IKEE CCCC#CC[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCC 2083434556 SPILMYUXESLNPR-DEOSSOPVSA-N 441.660 5.108 30 10 IKEE N#C[C@@H](C(=O)CSc1ccccn1)c1nc(-c2ccccc2)c(-c2ccccc2)s1 2084272954 DMDCWEOZXDLHAW-IBGZPJMESA-N 427.554 5.841 30 10 IKEE N#C[C@H](Nc1ccccc1Br)c1c(Br)cccc1Br 2094994846 MVQDIPKHCDYRRN-ZDUSSCGKSA-N 444.952 5.651 30 10 IKEE Cc1nn(C)c(Cl)c1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2118714524 FROYENCILRGIOX-CQSZACIVSA-N 439.741 5.151 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCCC[C@]12CCNC2 2156246803 FIKCUQIMPMOLQI-NHCUHLMSSA-N 434.378 5.007 30 10 IKEE CCC[C@@]1(CNc2ccc(Br)cc2C#N)CCCCN1C(=O)OC(C)(C)C 2162410792 QVYIPQOLDPSGNW-NRFANRHFSA-N 436.394 5.693 30 10 IKEE COc1cc(Br)ccc1[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2165551706 QFWSDJMGXWIMRH-GOSISDBHSA-N 437.378 5.982 30 10 IKEE CC1(C)OB(c2ccc(OCc3ccc(Cl)c(Br)c3F)cc2)OC1(C)C 2166757424 IHDZFOCHXVBNIE-UHFFFAOYSA-N 441.533 5.120 30 10 IKEE C=CCC[C@H](C)[C@@H](NC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229109243 HOOPUPGBJHZBBP-KFKAGJAMSA-N 425.411 5.075 30 10 IKEE C=C(C)CC[C@H](NCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229130125 KRFAXWPHUGYUFS-OALUTQOASA-N 425.411 5.219 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)CCN(CCC)C(=O)OC(C)(C)C 2235727653 YYXVLNKFCFLSNT-IBGZPJMESA-N 437.422 5.206 30 10 IKEE C[C@@H](c1ccc(NC(=O)OC(C)(C)C)cc1)[C@H](N)C#Cc1ccccc1Br 2235745471 CROHXMRHRZWNGQ-MGPUTAFESA-N 429.358 5.279 30 10 IKEE COc1ccc(F)c([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)c1 2235968485 SBGMGILKTIYXJH-SFHVURJKSA-N 435.293 5.603 30 10 IKEE C[C@@H](NC(=O)C1CC(B2OC(C)(C)C(C)(C)O2)C1)c1ccc(NC(=O)OC(C)(C)C)cc1 2267571785 NFHUPKFJYFOJAF-FAEJEUNOSA-N 444.381 5.083 30 10 IKEE CCC[C@@]1([C@@H](N)C#Cc2cccc(Br)c2)CCCCN1C(=O)OC(C)(C)C 2296288817 KQEILHWEGIDGKK-UGKGYDQZSA-N 435.406 5.088 30 10 IKEE CCc1ccc(-c2nn(-c3ccc(Oc4ccccc4)cc3)cc2C=NNC(N)=S)cc1 2296403507 SAOOTVCOSWEKNO-UHFFFAOYSA-N 441.560 5.061 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H]2C[C@](C#N)(N(C(=O)OC(C)(C)C)C3CCCCC3)CC[C@H]21 2308119240 CXDXNRQMWRHHJK-DMJCMNNJSA-N 447.620 5.628 30 10 IKEE Cc1cc2c(cc1C)C(=O)C(=Cc1cn(-c3ccccc3)nc1-c1ccc([N+](=O)[O-])cc1)O2 2314519216 DRSWTXHVXIJWDC-UHFFFAOYSA-N 437.455 5.681 30 10 IKEE CCN1C(=O)C(=Cc2cccc(OCc3ccc(C)cc3)c2)SC1=Nc1nc(C)cs1 2314544131 UOTCPNLLTPOOMJ-UHFFFAOYSA-N 449.601 5.963 30 10 IKEE C[C@H]1CCc2c(C#N)c(NC(=O)C(=Cc3ccccc3)c3ccccc3)sc(=S)c2C1 2314792867 HTDFPYQWCCPJTM-KRWDZBQOSA-N 442.609 6.653 30 10 IKEE O=C1C(=CC=Cc2ccccc2)SC(=NN=Cc2ccc(O)cc2)N1Cc1ccco1 2314818628 HXFADCGQJDCLMI-UHFFFAOYSA-N 429.501 5.048 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1N=Cc1ccc2cc(OC)ccc2n1 2321820289 ADUYPFOUJWASJG-UHFFFAOYSA-N 435.528 5.101 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc(OCc3ccc([N+](=O)[O-])cc3)c2C)C1=O 2321852288 FKSOFZFBSGKHIL-UHFFFAOYSA-N 431.444 5.497 30 10 IKEE C=Cc1ccc(COc2cc(C)c3c(c2)OC(=Cc2ccc(Br)cc2)C3=O)cc1 2321863216 YPGYLBNMXYLZTP-UHFFFAOYSA-N 447.328 6.596 30 10 IKEE Cc1ccc(Cc2nnc(S)n2N=Cc2cccc(OCc3ccccc3Cl)c2)cc1 2321968450 LQRKFOCVKFPDCP-UHFFFAOYSA-N 448.979 5.581 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(C(C)C)cc1)O3)CN(Cc1ccncc1)CO2 2321977837 GDJMPTSNQWAMKA-UHFFFAOYSA-N 426.516 5.482 30 10 IKEE CCCCC[C@H](CC)N1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(OC)cc1)C3=O 2322072588 BNNPVBFBJCGGJZ-FQEVSTJZSA-N 435.564 6.131 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1COc2ccc3c(c2C1)OC(=Cc1cn(C)c2ccccc12)C3=O 2322146174 OLOSKOBDZHUJAJ-VGSWGCGISA-N 428.532 5.525 30 10 IKEE COc1cccc(C=CC(=O)c2cccc(Cl)c2)c1OCC(=O)Nc1ccccc1F 2322528100 NQHDLARJCNGQJJ-UHFFFAOYSA-N 439.870 5.401 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(F)c(C)c2)c1OCc1cccc(Cl)c1 2322634462 HQNTXBUPOGQLIT-UHFFFAOYSA-N 445.317 6.925 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cc(Cl)ccc2OCc2cccc(Cl)c2)c1 2322662818 BLYDKXFZBCHQSF-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE Cc1cc(OC(=O)c2ccccc2)cc2c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O2 2322667076 NUHZKCLQLSJYSY-UHFFFAOYSA-N 425.267 6.137 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc(OC(=O)Cc3ccc(OC)cc3)c2C)C1=O 2322904275 AXZXJZWGLAJBRH-UHFFFAOYSA-N 444.483 5.167 30 10 IKEE Cc1cc(OC(=O)C=Cc2ccc(F)cc2)cc2c1C(=O)C(=Cc1ccc(Cl)cc1)O2 2323044372 XBDMOPCDZPSRHE-UHFFFAOYSA-N 434.850 6.023 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O 2323101878 RSTRLBQISFQOSX-UHFFFAOYSA-N 430.887 6.051 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OCC(=O)Nc3ccc(F)cc3)c2)cc1C 2323323517 KUGSCNVJYSDBRC-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)c(Cl)c2)cc1 2323464739 CMNIQAMVHDGRLL-IBGZPJMESA-N 447.962 6.055 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OCc3cccc(C)c3)c(OC)c2)cc1C 2323557747 XATKOPBXWDJYQG-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE Cc1cc(OC(=O)CCc2ccccc2)cc2c1C(=O)C(=Cc1c(F)cccc1Cl)O2 2323723765 CXYOWQNRGQHOMA-UHFFFAOYSA-N 436.866 5.942 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccn2)C3=O)c(OCC)c1 2323790221 ZSRAMQVDYHUZHK-UHFFFAOYSA-N 445.471 5.023 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(F)cc2)c(Br)c1)c1ccc(Cl)cc1 2323790886 SCNVLLYFOVSITG-UHFFFAOYSA-N 445.715 6.717 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OCC(=O)Nc1ccc(F)cc1 2324173597 YTJDFNSMLMAHNP-UHFFFAOYSA-N 447.506 5.871 30 10 IKEE Cc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1ccc(F)cc1)C2=O 2324412728 VACWBDMQWKIURK-QGZVFWFLSA-N 431.463 5.465 30 10 IKEE N#C[C@@H](C(=O)C=Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2324451520 VDFTXGICLVDFKA-HNNXBMFYSA-N 444.299 5.915 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2sccc2C)C3=O)c1 2324463839 MGCBDRQSEGTWSG-GOSISDBHSA-N 447.556 6.004 30 10 IKEE Cc1c(OCCOc2cccc3ccccc23)ccc2c1OC(=CC=Cc1ccccc1)C2=O 2324693947 GFAYEPFJVOGYNI-UHFFFAOYSA-N 448.518 6.778 30 10 IKEE COc1ccc(OCCCOc2ccc3c(c2C)OC(=Cc2ccccc2C)C3=O)cc1 2324705917 HSEKCRXDLRPEFZ-UHFFFAOYSA-N 430.500 5.776 30 10 IKEE Oc1ccc(Br)cc1C=Nn1cnnc1SCc1cccc2ccccc12 2325666251 WZVPHBSBHKVXJU-UHFFFAOYSA-N 439.338 5.074 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OC(=O)c1ccccc1-c1ccccc1 2325737813 KFGOVXIOCHLCTG-UHFFFAOYSA-N 448.518 6.786 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)[C@@H](C)Oc3ccc(Cl)cc3)c2)cc1C 2325760431 QLELIDGKJDEMJI-LJQANCHMSA-N 434.919 6.226 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccccc1C(F)(F)F 2326470625 OLOFICYWUYLBBU-UHFFFAOYSA-N 438.906 6.077 30 10 IKEE C=C(C)CSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1sccc1C 2327001010 ORTGNVBRVVMBIF-UHFFFAOYSA-N 426.611 5.518 30 10 IKEE C=CCSc1nnc(COc2cc(F)ccc2F)n1N=Cc1c(F)cccc1Cl 2327476133 JXZLJNDCCQMBFF-UHFFFAOYSA-N 438.862 5.088 30 10 IKEE CCCSc1nnc(COc2cc(F)ccc2F)n1N=Cc1c(F)cccc1Cl 2327480589 DBANMRIOMLAVDP-UHFFFAOYSA-N 440.878 5.312 30 10 IKEE COc1ccccc1OCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccccc1 2328239958 BNMYNTGETHRRNG-UHFFFAOYSA-N 448.523 5.179 30 10 IKEE CCCOc1cccc(C=Nn2c(COc3ccc(OC)cc3)nnc2SCCC)c1 2328403675 OYYCKQPJJOJOIM-UHFFFAOYSA-N 440.569 5.039 30 10 IKEE Cc1cccc(C=Nn2c(COc3ccccc3)nnc2SCc2cc(C)ccc2C)c1 2329918977 IDFRSRPARFRIIW-UHFFFAOYSA-N 442.588 5.957 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)C=Cc1cccc([N+](=O)[O-])c1)[C@@H](C)CC 2330627192 SYYAAKQUDHWYTP-GBXCKJPGSA-N 445.604 5.396 30 10 IKEE O=C(CSc1ccccc1)Oc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1 2330680236 KHYBVCGBMKSMQD-UHFFFAOYSA-N 428.553 6.159 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)[C@@H](C)c3ccccc3)c(OC)c2)cc1 2330742732 HIJPKFJWZGHXBF-IBGZPJMESA-N 444.527 5.871 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCc3ccccc3C)nnc2[C@@H]2CCCO2)cc1 2330894437 FACBDPHOZPOFCD-QHCPKHFHSA-N 449.624 5.459 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2Cl)cc(OC)c1OC(=O)c1ccccc1 2330949331 WNUWLHMVGCMIPB-UHFFFAOYSA-N 432.903 6.192 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2OC)cc(OC)c1OC(=O)CCCSC 2331080306 CCUKLAGVYLOVOS-UHFFFAOYSA-N 440.561 5.377 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)c1ccco1 2331094134 FTYPJOFUTXINPH-UHFFFAOYSA-N 432.806 5.725 30 10 IKEE CCOc1cc(C=Nn2c(SCCc3ccccc3)nnc2C2CCCC2)ccc1O 2331096925 JOBHDBPNNURGDR-UHFFFAOYSA-N 436.581 5.257 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)Cc1ccccc1OC 2331230122 VTLPBDRAGMDIHX-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(OC)c(OC(=O)c2ccccc2)c(OC)c1 2331353999 XCGNPEJFRDIGFN-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE C[C@@H](C(=O)Oc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1[N+](=O)[O-])c1ccccc1 2331562384 SOIQEGBICWVDKT-OAHLLOKOSA-N 437.398 5.478 30 10 IKEE COc1cc(C=Nn2c(SCc3ccccc3F)nnc2C(C)C)cc(Cl)c1O 2331698488 FXEDRPPSRVTSPI-UHFFFAOYSA-N 434.924 5.083 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3Cl)c([N+](=O)[O-])c2)cc1C 2331707211 WCWIOUSUXJYABY-UHFFFAOYSA-N 435.863 5.980 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)c3ccccc3)c([N+](=O)[O-])c2)c(C)c1 2331770318 CPBMGPNFFMRXKT-FQEVSTJZSA-N 443.499 6.125 30 10 IKEE C=C(C)[C@H]1CC[C@@]2(CO)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)C(=O)CC[C@@]34C)[C@@H]12 2333224066 JYDNKGUBLIKNAM-XVCZCDOQSA-N 440.712 7.205 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(Nc2ccc(OCc3ccccc3)cc2C)n1 2337031868 JETIKQMJVMHRLQ-UHFFFAOYSA-N 430.357 5.320 30 10 IKEE C=CCC(CC=C)[C@H](NCCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2364000195 YEDUELZLJIXNLA-FQEVSTJZSA-N 437.422 6.605 30 10 IKEE CCCc1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c(Br)c1 1984353 UTOZPCSAGKOCTG-ZDUSSCGKSA-N 447.398 5.477 30 10 IKEE C=CCOc1ccccc1NC(=S)NC(=O)CCCOc1ccc(Cl)cc1Cl 9696988 VYAORQNBYHDJHE-UHFFFAOYSA-N 439.364 5.230 30 10 IKEE CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccc(C#N)cc2)c1-c1ccc(F)cc1 25143032 GMFHCJFOVATUOI-UHFFFAOYSA-N 441.506 6.208 30 10 IKEE N#Cc1cccc(S(=O)(=O)Nc2ccc(-c3nc4ccc(Cl)cc4s3)cc2)c1 33169251 NEUWUIUJEHDQIE-UHFFFAOYSA-N 425.922 5.289 30 10 IKEE C=CCc1ccccc1OCCOc1cccc(/C=C2/SC(=S)N(CC=C)C2=O)c1 33441656 LBUXNANMINAWKD-OQKWZONESA-N 437.586 5.260 30 10 IKEE CCCCCOc1ccc(C(=O)c2c(C)c(C#N)c(=O)n([C@@H](C)c3ccccc3)c2O)cc1 38622898 YCAVOCOAFVYYDN-IBGZPJMESA-N 444.531 5.143 30 10 IKEE Cc1c(/N=N/c2ccc(Cl)cc2Cl)c(O)n(CCc2ccccc2)c(=O)c1C#N 39870596 RKWSKPVDZSORNI-OCEACIFDSA-N 427.291 5.699 30 10 IKEE C=CCNC(=O)c1c(Nc2ccccc2C)sc2c(-c3ccccc3)c(C#N)c(N)nc12 39895273 PHAQEZRDICGVMR-UHFFFAOYSA-N 439.544 5.385 30 10 IKEE Cc1cc(NC(=O)c2oc3c(c2C)/C(=N/Nc2cccc(C(F)(F)F)c2)CCC3)no1 40824090 DSZUPWNSPSCSDI-JFLMPSFJSA-N 432.402 5.308 30 10 IKEE C=CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1-c1cccc(Cl)c1 59794680 QKRNGJSFHXAMOI-UHFFFAOYSA-N 448.773 5.522 30 10 IKEE O=C1/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)CCC/C1=C\c1ccc(Cl)c([N+](=O)[O-])c1 83309339 FDLQEQJYIXTTDH-VOMDNODZSA-N 433.247 6.030 30 10 IKEE C=C(C)[C@@H](C)CC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CC[C@H](C)C(=C)C 86022408 LYHFPFHWBXEUPX-CRBCQAPESA-N 438.784 11.097 30 10 IKEE in-vitro Cn1cnnc1Sc1ccc(/C=C\C(=O)c2ccc(C3CCCCC3)cc2)cc1[N+](=O)[O-] 97993011 YGCOJOQDHKRULJ-QPEQYQDCSA-N 448.548 5.818 30 10 IKEE CCCCCCCCC(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc(F)cc2)cc1 98021529 CNBUYNOJKFWSOL-XMMPIXPASA-N 428.573 6.293 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(Br)cc2)S/C1=N/c1ccncc1Cl 101127537 CQHVUQQLZRHAGJ-AXLPVRDRSA-N 434.746 5.288 30 10 IKEE CCCCCCCCCCn1c([C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)nc2ccccc21 102206569 DSELEWUTXKXLJA-XMMPIXPASA-N 445.651 7.314 30 10 IKEE CN1C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=C2C=CC(=O)C=C2)c2cc(Cl)ccc21 137019281 IJEUIRDNQUQMFU-DEOSSOPVSA-N 440.930 5.077 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1c1ccc(F)cc1 169940631 OFNBTRJFACCVIG-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2cccc3ccccc23)[C@H]1c1cccs1 169986372 KHHVZOOUJKMUFK-VWLOTQADSA-N 439.536 6.003 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2ccccn2)cc1C 169994628 JMXNZURPCYRUEV-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2cccnc2)cc1 170001316 GRBKVJFPNNEQHY-RUZDIDTESA-N 449.510 5.084 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@H]2c2ccccc2)cc1C 170050374 JJSXYNZHCGSYDD-QFIPXVFZSA-N 435.882 5.879 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)[C@@H]2c2ccccc2)c1 170053682 LKPIJYYMRVUCSS-RUZDIDTESA-N 441.527 5.874 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccccc2)c1 170054923 UWDUPCYCNWMOPC-AREMUKBSSA-N 449.506 5.627 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2sccc2C)c1 170106109 YCWSTDXGGSICTE-JOCHJYFZSA-N 447.556 5.855 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2ccccc2OC)cc1 170125351 XMCLZXJHHHJWMJ-QHCPKHFHSA-N 437.536 5.253 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2cccs2)c1 170156069 ZTUBLBSCWWRJFF-QHCPKHFHSA-N 447.556 5.937 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2)ccc1Cl 170230370 PXPJFIUGCFMTPE-OAQYLSRUSA-N 437.879 5.110 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(F)cc2)cc1 170238290 URYBDBPJBVFZLV-HSZRJFAPSA-N 449.453 5.537 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccc2F)c1 170247772 DKXJHVFQIQCCLH-QFIPXVFZSA-N 435.426 5.146 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@@H]1c1ccccc1C 170277256 FQQWJUJTMKYWQL-VWLOTQADSA-N 449.591 6.286 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@@H]1c1ccc(C)o1 170302139 FDJOWRBMKOBYNZ-HSZRJFAPSA-N 431.488 5.305 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@H]1c1ccc(C)o1 170304084 MRDNWUDTJFXFJD-JOCHJYFZSA-N 447.487 5.005 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(C)o2)ccc1Cl 170308133 YAXZBASKSHMPIT-OAQYLSRUSA-N 443.927 5.551 30 10 IKEE C=CCOc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCCC)c1 170324119 RSQGREGVQYEVBC-RUZDIDTESA-N 441.527 5.783 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 170346021 OVZYNEBTGJFPCC-HSZRJFAPSA-N 442.515 5.171 30 10 IKEE COc1ccccc1/C=C1/S/C(=N/N=C/c2ccccc2C)N(Cc2ccco2)C1=O 210610220 VAGGZXULUACBER-WTGMLGSZSA-N 431.517 5.103 30 10 IKEE Cc1ccc2c(c1)C(=O)/C(=C\c1cn(-c3ccccc3)nc1-c1ccc(OC(C)C)cc1)O2 213993955 VQXHFTBNGZQFNR-WGOQTCKBSA-N 436.511 6.251 30 10 IKEE C=CCc1ccccc1OCc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)o1 222322173 CEJDFXWWYJBRDR-FQEVSTJZSA-N 441.531 5.483 30 10 IKEE CCCN1C(=O)/C(=C/c2c(OCC)ccc3ccccc23)SC1=Nc1ccc(C)cc1 252600416 DQXVIDBRVRIHAD-SIFMURAYSA-N 430.573 6.561 30 10 IKEE O=[N+]([O-])c1ccc2nc(Sc3ccc(C=Nc4ccc5ccccc5c4)o3)sc2c1 252624006 PEHXXUAUQOOUQS-UHFFFAOYSA-N 431.498 6.853 30 10 IKEE CCOc1ccc(NC(=O)c2c(N=Cc3ccc(OC)cc3)sc3c2CCCCC3)cc1 254851726 OSQAUPZYYKUQFN-UHFFFAOYSA-N 448.588 6.427 30 10 IKEE N#Cc1ccc(Cl)cc1Nc1ccc(I)cc1Br 302393515 NKSSIAQSYLAOOR-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE CCCCCCCCCCNc1cc(Br)ccc1I 311713207 KKAPMOCFRQWRIH-UHFFFAOYSA-N 438.191 6.606 30 10 IKEE Cc1cc(NC(=O)c2ccc(OCc3ccccc3)cc2)ccc1B1OC(C)(C)C(C)(C)O1 404997186 IQSXKOHKUCAGHS-UHFFFAOYSA-N 443.352 5.126 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Br)cs1)NCCC 406315767 OSJYKOGJZIJQAV-IAGOWNOFSA-N 431.440 5.281 30 10 IKEE Cc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2c(C)n(C)c3ccccc23)cc1 526520565 HNZIWSXDKXHKFC-SANMLTNESA-N 433.511 5.724 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1ccc(Cl)c([N+](=O)[O-])c1 526805045 DVXOVHHXYVSRAX-UUYOSTAYSA-N 429.933 5.275 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccncc2)c(C)c1 526812241 KRCIZCLNNVVHQM-PKAZHMFMSA-N 427.577 5.250 30 10 IKEE CCOc1ccc2ccccc2c1/C=N\n1cnnc1SCc1c(F)cccc1Cl 526816654 HRKOMEARWKPHJX-ZRGSRPPYSA-N 440.931 5.797 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1cccc(OCC(C)C)c1 526821346 NSSXKWKUAWEZCE-YUMHPJSZSA-N 444.604 6.203 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1ccccc1O 526824337 WHMOCKHYBJLKRD-FMCGGJTJSA-N 435.380 5.808 30 10 IKEE Fc1ccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2cccc(F)c2)cc1 526826026 QVXOMQGVASDQLZ-YUMHPJSZSA-N 434.515 5.516 30 10 IKEE N#Cc1ccccc1NC(=O)c1ccc(NC(=O)N2CCC(Cc3ccccc3)CC2)cc1 586663172 WNDBNQKHKTUMNF-UHFFFAOYSA-N 438.531 5.297 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 698375817 VFOBUQLFWUQNFF-MZNJEOGPSA-N 445.560 5.118 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCOc2ccccc21 698448723 YMAQINCQCRUFOD-OAQYLSRUSA-N 429.314 5.392 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1cc(Cl)ccc1F 698451089 IZOSTMJQQOYYBW-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C1 698868681 JTRBRZYUGYYETF-HJPURHCSSA-N 433.524 5.106 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 698940858 BSURPJMSONUMRC-QMHKHESXSA-N 433.524 5.106 30 10 IKEE COc1cccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2cccc(C)c2)c1 726570503 BPVNWBDHPVDAQN-UHFFFAOYSA-O 436.944 5.140 30 10 IKEE CN(Cc1ccccc1)CN1C(=O)C(=Nc2cccc(Br)c2)c2ccccc21 1083972592 JCENXUHHAPHPNN-UHFFFAOYSA-N 434.337 5.006 30 10 IKEE Cc1ccc2[nH]c3nc(NN=Cc4cn(Cc5ccccc5)c5ccccc45)nnc3c2c1 1772764791 DIVBQDIKQQETAG-UHFFFAOYSA-N 431.503 5.264 30 10 IKEE Cc1cccc(NC(=S)N/N=C\c2cn(-c3cccc(F)c3)nc2-c2ccccc2)c1 1857809197 QSIIWQRVCODSCY-YSMPRRRNSA-N 429.524 5.307 30 10 IKEE CC(C)Cc1nc2ccc(C(=O)Nc3cccc(C(=O)Nc4ccc(C#N)cc4)c3)cc2[nH]1 1859118849 KFJQAXZUWWHGQW-UHFFFAOYSA-N 437.503 5.138 30 10 IKEE N#Cc1ccccc1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n(-c2ccc(Cl)cc2)n1 1859410806 ANHUJGLNFIBEBQ-UHFFFAOYSA-N 443.850 5.225 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(Cl)cc1 1862385710 VZSNHIGDNJEQRT-GOSISDBHSA-N 438.738 5.881 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccccc1 1862429713 SWTPEGYYUFDQIX-XMSQKQJNSA-N 425.956 6.277 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1c(Cl)cccc1Cl 1862451428 FWWMVAXTSVQAGF-GOSISDBHSA-N 438.738 5.881 30 10 IKEE CCOc1cc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCC(C)C)ccc1O 1862494889 IGFXFSCAVQUYKV-QHCPKHFHSA-N 437.536 5.032 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCC2)cc1 1862498827 RMVYGHKAAVPWGQ-VWLOTQADSA-N 446.591 5.671 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccc(OCCC)cc2)cc1 1862520703 PVNUPEZOBHZSIO-QHCPKHFHSA-N 437.536 5.251 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(F)cc1 1862544358 BJBMROCXZGEFBH-WQWSHVPRSA-N 447.550 5.862 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cccc(OCCC)c1 1862550702 KBNXOPCCINJBHM-DEOSSOPVSA-N 431.532 5.119 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 1862665551 JQNMCLGKRGFLMW-QHCPKHFHSA-N 448.519 5.629 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(C(C)C)cc1 1862691833 WTJBMZRIVNVYGO-XMMPIXPASA-N 435.564 5.977 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccccc1F 1862703910 ZWILBAQWSMHTNU-FDDCHVKYSA-N 439.527 5.772 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccc1Cl 1862712344 PCINEAQNULTHSJ-HSZRJFAPSA-N 449.934 5.497 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(N(C)C)cc1 1862726770 OHDYCFZBSMOPNV-RUZDIDTESA-N 438.527 5.184 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862744750 UAQUPAGOUJRFBD-VOJFVSQTSA-N 449.290 5.278 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(Cc3ccccc3Cl)C2=O)cc1C 1863253593 PFHQNSIWYVXAAW-UHFFFAOYSA-N 441.918 5.221 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(C)cc(C)c2)=C(c2ccc(OC)cc2)C1=O 1863322331 FLOXFQFGGMLCMF-UHFFFAOYSA-N 434.580 5.865 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2OC)C(=O)N(Cc2cc(C)ccc2C)C1=O 1863767328 JTXKHENPTHPRJM-UHFFFAOYSA-N 448.607 5.542 30 10 IKEE CCCCCCCCNC1=C(c2c[nH]c3ccccc23)C(=O)N(Cc2cccc(C)c2)C1=O 1863820150 HNRNWBDFFYVLNB-UHFFFAOYSA-N 443.591 5.707 30 10 IKEE Cc1ccccc1-c1nc(Nc2cccc(C#N)c2)cc(N2CCO[C@@H](c3ccncc3)C2)n1 1868292556 DWNURHADDFYEQN-XMMPIXPASA-N 448.530 5.040 30 10 IKEE N#Cc1cccc(Nc2cc(N3CC[C@H](c4ccco4)C3)nc(-c3ccc(Cl)cc3)n2)c1 1868424401 VJMXKOCRTKSNRZ-IBGZPJMESA-N 441.922 5.999 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3cc4ccccc4nc32)nc(-c2ccc(C)cc2)n1 1869150598 DJVJQENLMNAOIT-UHFFFAOYSA-N 433.559 5.873 30 10 IKEE CCCCCCCOc1cn(CCC2=CCCCC2)c(CN2C[C@@H](C)C[C@@H](C)C2)cc1=O 1870416878 UFGVXYHTEIUBAB-PSWAGMNNSA-N 442.688 6.566 30 10 IKEE CCCCCCCCCCn1cc(OCCCCC)c(=O)cc1CN1CCC(CO)CC1 1870679138 ZHMUNNZBLFLIBS-UHFFFAOYSA-N 448.692 5.762 30 10 IKEE C=CCOc1cn(Cc2ccccc2C)c(CNc2ccc(OC(F)(F)F)cc2)cc1=O 1870809690 QGGHLSOMCPVHPM-UHFFFAOYSA-N 444.453 5.281 30 10 IKEE C=CCn1cc(OCc2cccc(OC)c2)c(=O)cc1CNc1ccc(N(CC)CC)cc1 1871055067 SVMLARRPCMUZOI-UHFFFAOYSA-N 447.579 5.080 30 10 IKEE CCCCCCCCNC(=O)c1nc(-c2ccccc2)n(-c2ccc(Cl)c(Cl)c2)n1 1871319942 SMDXRLJAPFEJBI-UHFFFAOYSA-N 445.394 6.331 30 10 IKEE COc1ccc2c(c1)c(/C=C1\Oc3c4c(cc(C)c3C1=O)OCN(CCC(C)C)C4)cn2C 1871352910 HMCXLZZHVJKYRD-MYKKPKGFSA-N 446.547 5.310 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871389949 WIUJIOCVOBHFSL-HAHDFKILSA-N 430.431 5.534 30 10 IKEE Cc1c(OCCOc2ccccc2)ccc2c1O/C(=C\c1cn(C)c3ccccc13)C2=O 1871397283 JQWYKYPWJABEEL-XYGWBWBKSA-N 425.484 5.561 30 10 IKEE Cc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1cccc(Cl)c1)C2=O 1871409602 SFGQGXUXUZVKNI-PGECNJAHSA-N 447.918 5.979 30 10 IKEE CCCCCCCCNC(=O)Cc1nonc1OCc1c(Cl)ccc(Cl)c1Cl 1872651701 UPRYAXFWZABBDH-UHFFFAOYSA-N 448.778 5.628 30 10 IKEE Cc1cc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc(C)c1Cl 1872766062 CCWHUSQLISZSEO-KRWDZBQOSA-N 431.344 5.989 30 10 IKEE CC(=O)Oc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1 1872768905 FIJHNCSYPLSPOQ-OAHLLOKOSA-N 431.300 5.532 30 10 IKEE COc1cc(C(=O)[C@@H](C#N)c2nc(-c3cccc4ccccc34)cs2)cc(OC)c1OC 1872775640 WFZCGGHGQXIGHL-LJQANCHMSA-N 444.512 5.479 30 10 IKEE CCCCCCCOc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccccc3)n2)cc1 1872776839 ZEWFTTWBLTXYEI-HSZRJFAPSA-N 432.589 6.578 30 10 IKEE COC(=O)c1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc1 1872781663 XIACRVAHQGJIFE-JRMCHAMMSA-N 446.528 5.112 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)Cc3ccc(OC(C)C)cc3)n2)cc1C 1872788005 VCBNPYDGXOECLN-OAQYLSRUSA-N 434.561 5.642 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc2nc(COc3ccccc3OC)[nH]c2c1 1872811574 YHOHNMHVWAHWPL-UHFFFAOYSA-N 437.584 6.021 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)NCCCCCCCCCC)n2CCC 1873574996 MMNRILXIEFKTPU-UHFFFAOYSA-N 439.648 5.890 30 10 IKEE CCSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1ccc(F)cc1F 1874223135 VCQQGKJWCYGSBU-MFKUBSTISA-N 430.524 5.125 30 10 IKEE CCOc1ccccc1OCc1nnc(SCc2ccccc2)n1/N=C/c1ccccc1 1874240854 CBSCRXXZZYQDHU-YZSQISJMSA-N 444.560 5.430 30 10 IKEE CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccc(Cl)cc1Cl 1874242123 PAWNSVIGIXHNRQ-WYMPLXKRSA-N 435.424 5.948 30 10 IKEE C=CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccc(C(C)C)cc1 1874244765 NJXJBBUBGVFYCC-WPWMEQJKSA-N 434.653 6.321 30 10 IKEE COc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2sccc2C)cc1 1874349370 IKTJHXPQPHUHMJ-KOEQRZSOSA-N 448.617 5.464 30 10 IKEE COc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2cccs2)cc1 1874349523 PZWFSMLUFAOOMA-JJIBRWJFSA-N 434.590 5.156 30 10 IKEE Cc1cccc(CSc2nnc(CCc3cccs3)n2/N=C/c2cc(C)ccc2O)c1 1874370056 FWMGREWMRSNBQC-MFKUBSTISA-N 448.617 5.622 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccccc3)n2/N=C/c2ccccc2O)c1 1874384087 XSPGFPHEUCOFLX-MFKUBSTISA-N 430.533 5.046 30 10 IKEE Clc1ccccc1CSc1nnc(CCc2ccccc2)n1/N=C/c1ccccc1 1874403884 YEOYUGMAPVNQNG-YZSQISJMSA-N 432.980 5.891 30 10 IKEE COc1cccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccc(F)cc2)c1 1874416557 WKCLVWCFQRMXIL-WGOQTCKBSA-N 432.524 5.191 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C(F)(F)F)cc1 1874463674 VYGXIKBOWHEKJQ-KIBLKLHPSA-N 442.869 5.826 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(OC)c(OC)c1 1874480108 IGGNCXCVKURAIN-ZVHZXABRSA-N 444.988 5.466 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2cccc(C)c2)cc1 1874489583 YUOQFLZMYOQTNV-YZSQISJMSA-N 436.625 6.138 30 10 IKEE CC(C)Cc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1cccc(F)c1 1874490430 QDQCFQRDIZMFGD-BHGWPJFGSA-N 437.371 6.097 30 10 IKEE Cc1ccsc1/C=N/n1c(SCc2ccc(Cl)cc2Cl)nnc1C(C)C 1874517564 ZLZTXUJASSQTPV-ZVBGSRNCSA-N 425.410 6.253 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccccc1OC(C)C 1874528215 XMULMFCCYPABNE-WYMPLXKRSA-N 449.407 6.109 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCCc2ccccc2)cc1 1874577856 JKPJRELBBBNSTR-SDNWHVSQSA-N 436.935 6.265 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(Cl)cc2)c1OCc1ccc(Cl)cc1Cl 1874578558 UKVJGLYOCZICCF-XYOKQWHBSA-N 447.745 7.131 30 10 IKEE CCc1ccccc1NC(=O)COc1c(/C=C/C(=O)c2cc(C)ccc2C)cccc1OC 1874580517 RKDYRPPZIWLNAJ-FOCLMDBBSA-N 443.543 5.788 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1 1874582769 GRAUTNVWLOPMNS-UKTHLTGXSA-N 439.382 7.766 30 10 IKEE CCc1ccc(NC(=O)COc2ccccc2/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1 1874585905 LNBWCRSJOXYKGR-NTCAYCPXSA-N 443.543 5.788 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cc(Cl)ccc2OCc2cccc3ccccc23)c(C)c1 1874590079 RSJHYWUDEPCAHM-ACCUITESSA-N 440.970 7.894 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 1874604708 AYVMINRPWULXBO-WLRTZDKTSA-N 448.450 5.210 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(OC)c2)cc1 1874609827 LWOGZGIENHADNC-AWNIVKPZSA-N 445.515 5.234 30 10 IKEE Cc1ccc(C)c(COc2ccc(/C=C/C(=O)c3ccc(Cl)c(Cl)c3)cc2Cl)c1 1874615578 FZYMXCLUIUHHLH-WEVVVXLNSA-N 445.773 7.739 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OCc1ccc(C(=O)OC)o1 1874617478 DNWYITLSNAIYJW-YRNVUSSQSA-N 434.488 5.557 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2Cl)c1 1874624254 TWNLTTPYJKIVFQ-NTUHNPAUSA-N 447.962 6.685 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3F)c(OC)c2)cc1Cl 1874636777 RZFLHUBNAQWKDO-JXMROGBWSA-N 426.871 5.971 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1OC(=O)c1ccc(F)c(F)c1 1874699973 VSGCQKOYTSNYDC-KRXBUXKQSA-N 430.353 5.367 30 10 IKEE CCc1ccccc1OCC(=O)Oc1cccc(/C=C/C(=O)c2ccc(OC)cc2OC)c1 1874714300 OGWMDURZNFWXPQ-NTCAYCPXSA-N 446.499 5.147 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4ccccc4c3)cc2Cl)cc1C 1875096381 LLFPYDUVSQBZEY-MDWZMJQESA-N 440.926 7.225 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(OC)c3)cc2OC)cc1 1875103805 QASGCNQJQCSLMA-MDWZMJQESA-N 446.499 5.390 30 10 IKEE C[C@@H](Oc1ccc(Cl)cc1)C(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1 1875120489 WBYIQVSYFQSYMF-LCCUQNOHSA-N 442.845 5.887 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(F)c(F)c1 1875127349 ABJYDNFMPALNPF-WTDSWWLTSA-N 428.818 5.742 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)c1sccc1C 1875135779 HMCNZQSJPRSWKF-JXMROGBWSA-N 440.948 6.532 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(C)c3)cc2OC)c1 1875143780 QEDUZHSEQIMKDH-XYOKQWHBSA-N 434.463 5.657 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(F)c3)c(Cl)c2)c(C)c1C 1875168017 SOTGPPIDGZEUPC-JXMROGBWSA-N 438.882 6.220 30 10 IKEE C=CCn1c(C(=O)N(CCC)CCC)cc2c(NCCc3c[nH]c4ccccc34)ncnc21 1875227412 ADQKUEQXJIEWKN-UHFFFAOYSA-N 444.583 5.015 30 10 IKEE N#Cc1c(NC(=O)OCC2c3ccccc3-c3ccccc32)oc(C(F)(F)F)c1C(=O)O 1887600609 ZKHWXRFBHPWFMG-UHFFFAOYSA-N 442.349 5.229 30 10 IKEE O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc(Oc2ccc(C(F)(F)F)cc2)c1 1892412703 WQOLRUGSAIDFCC-UHFFFAOYSA-N 443.318 6.908 30 10 IKEE CCN[C@H](CC#CC1CCCCC1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 1915206513 VUMXGLLPMXIFSC-RUZDIDTESA-N 426.645 6.156 30 10 IKEE CC1(C)OB(c2cc(F)ccc2CN(Cc2ccccc2)Cc2cccs2)OC1(C)C 1915410949 XLGXXABXVMHBDC-UHFFFAOYSA-N 437.389 5.389 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)C2(C#N)CC3(CCN(C(=O)OC(C)(C)C)C3)C2)c1 1917713426 XOKOGUPPENMBDZ-UHFFFAOYSA-N 441.572 5.420 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1922107872 PIEZTGIQJXOINQ-SMIHKQSGSA-N 430.633 5.459 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1926494781 ZCROMVOMAGGSPK-OYHNWAKOSA-N 435.952 5.231 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1cscc1Cl 1942308471 AAFJBGOVZPGUJQ-OAHLLOKOSA-N 427.751 6.170 30 10 IKEE CN[C@H](CC#CC1CCCCC1)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1947477498 ITRGRUKFXHDJPD-RPWUZVMVSA-N 428.617 5.048 30 10 IKEE CCCCCCC[C@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 1947479844 UCAIPTVMTWXQPZ-RPWUZVMVSA-N 434.665 6.215 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 1950054766 QLVKDSPLPUCBHH-RGZWJVDOSA-N 427.545 5.028 30 10 IKEE C#Cc1ccccc1[C@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 1952066299 NQKKRFWCLIOFOX-VWLOTQADSA-N 425.484 5.113 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)cn1 2003364535 HZFSLHBDBUVPOA-GOSISDBHSA-N 430.549 5.563 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2 2017181986 ULGXCYMYTFPXGF-ZRBLBEILSA-N 428.617 5.211 30 10 IKEE CCCCCC#CC[C@@H](NCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2024370299 NQXMNHKDPDWAKG-QPTUXGOLSA-N 430.633 5.437 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)C1(C#N)[C@H]2CC[C@H]1CN(Cc1ccccc1)C2 2037940365 WWTMNOPHOWOYLZ-GOTSBHOMSA-N 437.628 5.751 30 10 IKEE C#CC[C@@H](CNc1cc(Br)c(Br)c(Br)c1)C1CC1 2076101587 FIDBUJIIAVLODU-JTQLQIEISA-N 435.985 5.436 30 10 IKEE Cc1cc(C)c([C@H](C2CCC2)n2nc(C3CC3)c(C#N)c2I)cc1C 2078984810 ZWRBRYGTYOXVLC-FQEVSTJZSA-N 445.348 5.552 30 10 IKEE Cc1ccc([C@H](C(C)C)n2nc(C3(C)CC3)c(C#N)c2I)cc1C 2079140929 UZKAHERKMCWGRW-KRWDZBQOSA-N 433.337 5.273 30 10 IKEE ON=Cc1c(C(F)(F)F)nn([C@@H](c2ccc(C(F)(F)F)c(F)c2)C2CCC2)c1Cl 2079844950 PEVISQPUSSEOJA-CYBMUJFWSA-N 443.750 5.911 30 10 IKEE CC[C@@H](c1ccc(C(C)C)cc1)n1nc(C(F)F)c(C=NO)c1I 2080002556 ZHFOIUOUBSILQY-AWEZNQCLSA-N 447.267 5.356 30 10 IKEE CCCOc1ccc([C@H](CC)n2nc(C3CCC3)c(C#N)c2I)cc1 2080063699 HZDWGSRPAHJKBX-SFHVURJKSA-N 449.336 5.415 30 10 IKEE C=CCCCCCC[C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2085848330 YYPUUEPNXKBJCL-PZUNEJSGSA-N 446.676 6.380 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CN(Cc3ccccc3)C3(CCCC3)C2)c1 2100067488 NORNJEDTYFOKAV-NDEPHWFRSA-N 445.607 6.218 30 10 IKEE C=CCN(CC(=C)Br)C(=O)CC[C@@H](CCC)CCNC(=O)OC(C)(C)C 2124463201 NSTZCPLQJYJJEA-QGZVFWFLSA-N 431.415 5.021 30 10 IKEE C#C[C@@H](NCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C1CCCCC1 2138972446 DCNYJYAOEUBRAR-MUUNZHRXSA-N 439.599 6.516 30 10 IKEE CCCCCCCCNC(=O)c1ccc(Br)cc1I 2142279136 MJSYVAJCJCEZHE-UHFFFAOYSA-N 438.147 5.144 30 10 IKEE Brc1csc(CN=C2N[C@H](C3CCCC3)CCS2)c1Br 2150562905 OUZJCOJUSIWLKS-NSHDSACASA-N 438.254 5.414 30 10 IKEE CC(C)(C)OC(=O)NCC[C@@H]1CCC[C@H](Nc2ccc(C#N)c(Br)c2F)C1 2162307876 CYSFBIMRPAOCFU-ZFWWWQNUSA-N 440.357 5.345 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](Nc2cc(Br)cc(C#N)c2)Cc2ccccc21 2162386554 DCBGNFHITGHUQI-GOSISDBHSA-N 428.330 5.099 30 10 IKEE CC(C)(C)OC(=O)N1CCN(c2cc(Br)cc(C#N)c2)C2(CCCCC2)C1 2174807802 GOQOGXKPJHMEJO-UHFFFAOYSA-N 434.378 5.081 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(Nc2ccc(Br)cc2)C12CCCC2 2204351289 VEXUIRFYNIJCFW-FQEVSTJZSA-N 434.378 5.467 30 10 IKEE C=CCCCCCCC[C@H](O)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2227291597 SJMPWBADDMYNJB-IBGZPJMESA-N 426.395 6.746 30 10 IKEE C=C(C)C[C@@H](NCCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229126801 OMXAHLSKMWPXMQ-RTBURBONSA-N 425.411 5.219 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCC[C@H]2Nc2ccc(C#N)cc2Br)C1 2233763254 NMSNSJSYHRTVFT-LZLYRXPVSA-N 434.378 5.158 30 10 IKEE C#CCCN(C(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCC1 2243918012 ZXBHYXQATGWXNT-UHFFFAOYSA-N 444.575 5.100 30 10 IKEE CC(C)[C@@H](C)N(Cc1ccccc1)C(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2255768284 HLWKBACDIUUMTO-GOSISDBHSA-N 441.808 5.326 30 10 IKEE C=C(C)CCCC[C@@H](NCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2271751200 VEKOLTJKMSSGAS-GOSISDBHSA-N 425.411 6.583 30 10 IKEE C[C@H](N=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1ccccc1 2295880065 NHIVKJVPLGQPJF-YUDQIZAISA-N 429.567 7.222 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H](C[C@@H](C)CC)NC(=O)OC(C)(C)C 2296217374 UAQKKVDLFPOEFB-PWIZWCRZSA-N 437.422 5.108 30 10 IKEE CC(C)(C)OC(=O)NCCC1([C@@H](O)C#Cc2ccc(Br)cc2)CCCCC1 2296284715 UCODTLHOUFUBCH-IBGZPJMESA-N 436.390 5.027 30 10 IKEE CCOc1ccc2c(c1)C(=C1SC(=Nc3ccccc3)N(c3ccccc3)C1=O)C(=O)N2 2296419048 ALQBXPSBGNDKSG-UHFFFAOYSA-N 441.512 5.216 30 10 IKEE CC(=O)Oc1ccc(-c2ccc(C=Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc2)cc1 2297736585 LLQMXXAAJQVTJZ-UHFFFAOYSA-N 449.594 7.497 30 10 IKEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3nnc(C)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 2297747104 BIBJWBBIWYIXEY-HXUWFJFHSA-N 447.560 5.079 30 10 IKEE COc1cc(C=NNc2nc(C)c(C)s2)cc([N+](=O)[O-])c1OCc1cc(C)ccc1C 2318417718 DBGTZMFHUDMJTA-UHFFFAOYSA-N 440.525 5.319 30 10 IKEE CC(C)[C@@H]1C[C@@H](Nc2ccc(C#N)c(Br)c2)CN1C(=O)OCc1ccccc1 2321253764 UTPVZLWWVFNJLO-CTNGQTDRSA-N 442.357 5.168 30 10 IKEE Sc1nnc(C2CCC2)n1N=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2321901660 DABDZGJDNUJVJG-UHFFFAOYSA-N 433.364 5.602 30 10 IKEE COC(=O)c1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN([C@@H]2CCCC[C@H]2C)C4)cc1 2322153285 WMFHYOJNZHXMNG-IIBYNOLFSA-N 447.531 5.128 30 10 IKEE CCc1ccc([C@H](C)N2COc3cc(C)c4c(c3C2)OC(=Cc2ccccc2F)C4=O)cc1 2322260100 VHUZAIOVGURQHQ-SFHVURJKSA-N 443.518 6.226 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1cn(C)c4ccccc14)C3=O)CN([C@H]1CCCC[C@H]1C)CO2 2322391673 OYGWPVUWZAHSAU-HXOBKFHXSA-N 442.559 5.834 30 10 IKEE O=C(C=Cc1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)c1ccc(F)cc1F 2322498589 JMUSXMQTBCIGCB-UHFFFAOYSA-N 445.421 6.501 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Br)ccc2OCc2ccccc2Cl)cc1 2322586266 QTXZETJVDBLOCC-UHFFFAOYSA-N 441.752 6.886 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1cc(Cl)ccc1OCc1ccc(C)cc1 2322937511 MFSDSPCLUPECCE-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2ccccc2OCc2ccc(C)cc2)cc1Cl 2322969141 ARLFSHXKTWLQPI-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCc3cccc(Cl)c3)c2)cc1Cl 2323310027 APWPWDAVBSVYOD-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE Cc1c(OC(=O)CC2CCCCC2)ccc2c1OC(=Cc1ccc(Cl)cc1Cl)C2=O 2323486011 UZQNQLXLVYPVIB-UHFFFAOYSA-N 445.342 6.794 30 10 IKEE CCOc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1 2323511268 IGMSBCDGLGBSNZ-UHFFFAOYSA-N 430.431 5.459 30 10 IKEE CCCCN(CCCC)Cc1c(O)cc(C)c2c1OC(=Cc1ccccc1Cl)C2=O 2324077680 CCEIAWLAMMOPKI-UHFFFAOYSA-N 427.972 6.372 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(OC)c1OCc1ccccc1 2324172520 FHXJRYJLBCXMBO-UHFFFAOYSA-N 426.556 7.022 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)c1 2324455602 TTYAJTYXJWRLON-QGZVFWFLSA-N 447.918 5.979 30 10 IKEE COc1cc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc(OC)c1OC 2324538519 CCYBIFMXSDEMAK-GOSISDBHSA-N 434.517 5.034 30 10 IKEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3cc(Cl)ccc3Cl)cc2)o1 2324651784 QOLJGVNHNRUFBD-UHFFFAOYSA-N 431.271 5.848 30 10 IKEE Cc1ccc(NC(=O)CCOc2cc(C)c3c(c2)OC(=Cc2cccc(C)c2)C3=O)cc1 2325231928 XWWYHTMZVVHEKJ-UHFFFAOYSA-N 427.500 5.636 30 10 IKEE CCc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1 2325722297 XYWYGYDFVKLRRW-UHFFFAOYSA-N 433.891 5.536 30 10 IKEE COc1ccccc1CC(=O)Oc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OC 2325724897 SMHMVLGGBHMCFE-UHFFFAOYSA-N 438.426 5.026 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2)C3=O)cc1Cl 2325729536 HNHSGLNPOXYEDJ-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2cc(Cl)ccc2Cl)c1)c1ccc(Cl)cc1 2325730588 PWVHIMLVHKCIDL-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE Cc1cccc(C)c1OCC(=O)Oc1cccc(C=CC(=O)c2cccc3ccccc23)c1 2325750174 ONYBUHNJLXXJGN-UHFFFAOYSA-N 436.507 6.337 30 10 IKEE CCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1N=Cc1ccccc1O 2325842524 YDXRZWOGFCDQTO-UHFFFAOYSA-N 438.597 5.287 30 10 IKEE CCCSc1nnc(COc2ccccc2OC)n1N=Cc1cccc2ccccc12 2328299415 OKFBCQVXYYEDST-UHFFFAOYSA-N 432.549 5.403 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3)n2N=Cc2cccs2)cc1C 2328945663 QWFMLAOWTNTKNX-UHFFFAOYSA-N 432.618 5.916 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccccn1 2329506362 ABQUNLXSUKFYFI-UHFFFAOYSA-N 447.995 5.595 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2)n1N=Cc1cc(Cl)ccc1O 2330108577 WJZOSOWGRJEOPW-KRWDZBQOSA-N 448.979 5.963 30 10 IKEE CCN(CC)Cc1ccc(C=NNC(=S)NC(c2ccccc2)c2ccccc2)cc1 2330465429 MHJLAHZISKYHLZ-UHFFFAOYSA-N 430.621 5.116 30 10 IKEE Cc1ccccc1CSc1nnc(-c2cccs2)n1N=Cc1ccc2c(c1)OCCO2 2330538332 KLTJNXXWISLPIU-UHFFFAOYSA-N 448.573 5.261 30 10 IKEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OC(=O)c1ccccc1 2330618783 IXQLMVPHBKQHMT-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1ccccc1C 2330672009 FPQSLZKYCSJLBH-UHFFFAOYSA-N 436.507 6.662 30 10 IKEE Cc1ccccc1CSc1nnc([C@H]2CCCO2)n1N=Cc1ccc(Cl)c(Cl)c1 2330894657 VMLUALCYAHYWGM-LJQANCHMSA-N 447.391 5.919 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)[C@@H](C)c3ccccc3)c(OC)c2)cc1 2330959143 LURJSHRJTHTIIW-SFHVURJKSA-N 446.499 5.318 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)cc([N+](=O)[O-])c1OC(=O)C1CCC1 2331150381 WUHSGOQTEWWBAC-UHFFFAOYSA-N 429.856 5.249 30 10 IKEE CCOc1c(C=Nn2c(SCc3cccc(C)c3)nnc2-c2ccco2)cccc1OC 2331183491 SQPUDHGHHCXVRA-UHFFFAOYSA-N 448.548 5.428 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCCc2ccccc2)nnc1-c1ccco1 2331211351 OYWOZWMNABIJAK-UHFFFAOYSA-N 432.549 5.544 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Br)c1OC(=O)C1CCC1 2331230132 XCXQWWWNWGJHEZ-UHFFFAOYSA-N 443.337 5.676 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3c(C)cccc3C)cc2)cc1 2331259094 JTMZVMXSMPNIJH-UHFFFAOYSA-N 428.528 6.273 30 10 IKEE COCCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(Cl)cc1Cl 2331259118 NPDCJQDXXMUSSF-UHFFFAOYSA-N 439.343 5.087 30 10 IKEE COc1cccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3)cc2Cl)c1 2331266090 XKNYQBCGXCGNCM-UHFFFAOYSA-N 436.891 5.538 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3c(C)cccc3C)c([N+](=O)[O-])c2)cc1 2331276325 IXIMIZOOIQGDHX-UHFFFAOYSA-N 445.471 5.401 30 10 IKEE O=C(Cc1ccccc1Cl)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1 2331396917 NMFQQMKDUCTSMQ-UHFFFAOYSA-N 434.875 5.155 30 10 IKEE COC(=O)c1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C(C)(C)C)cc1 2331405300 DTLJPQCUYBIFLB-UHFFFAOYSA-N 442.972 5.190 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1c(Cl)cccc1Cl 2331630380 DYLFMHKNMMCZLW-UHFFFAOYSA-N 448.379 5.150 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)Cc1ccccc1 2331779633 QHQHYAZHAHWTPV-UHFFFAOYSA-N 428.528 6.055 30 10 IKEE N#Cc1cc(F)cc(CSc2cc(I)ccc2Br)c1 2338414591 WADCETAEHTYKNR-UHFFFAOYSA-N 448.098 5.357 30 10 IKEE CC#CCN(C[C@@H](NCCC)c1cc(C)c(Br)c(C)c1)C(=O)OC(C)(C)C 2363132160 MEHSMIODDZIHRI-LJQANCHMSA-N 437.422 5.367 30 10 IKEE CC/N=C1/S/C(=C/c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)C(=O)N1CC 9261554 VZESTVTXFIMOOI-RDQSSUSYSA-N 438.622 5.218 30 10 IKEE C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)OC)[C@H]1CCc1ccoc1CN1CCC(C)CC1 16040066 ZGHHYFNDDMTZKI-OEAWUUHTSA-N 441.656 6.396 30 10 IKEE biogenic CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2c(F)cccc2Cl)cc1 21256800 CIUXSPPMDJEGDB-DOTOQJQBSA-N 427.903 5.272 30 10 IKEE COc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(C(C)(C)C)cc2)C3)cc1OC 21257337 UAKBEJKGRCFQFM-QUCCMNQESA-N 433.548 5.006 30 10 IKEE C=Cc1ccc(COc2ccc3c(c2)O/C(=C\c2ccccc2Br)C3=O)cc1 33365578 UCDPNNQVRPBRFX-QRVIBDJDSA-N 433.301 6.287 30 10 IKEE COc1ccccc1CO/N=C(/C)c1cc(-c2ccc(F)cc2)n(-c2ccccc2)c1C 35843441 ICCKTHUATKVHRM-CEUNXORHSA-N 428.507 6.541 30 10 IKEE O=C1/C(=C/c2c(F)cccc2Cl)Oc2cc(OCc3ccc(Cl)c(Cl)c3)ccc21 38320981 UILOCXSJYIAHRF-FBHDLOMBSA-N 449.692 6.981 30 10 IKEE O=C1/C(=C\c2ccc(Br)o2)S/C(=N/c2nccs2)N1C1CCCCC1 39865082 BVYHNXZFYHCKTO-CWMXYSJUSA-N 438.372 5.435 30 10 IKEE C=CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccc2)cc1OC 39873251 BOZJSPMRYJVGJT-DEOSSOPVSA-N 439.467 5.116 30 10 IKEE O=C1N/C(=N\N=C\c2ccc(-c3ccc(Cl)cc3)o2)S[C@H]1Cc1ccccc1Cl 39888131 NGZSUQOUZITYGC-OGBFJMLUSA-N 444.343 5.418 30 10 IKEE Cc1sc(NC(=O)[C@@H](C)Oc2c(-c3ccccc3)oc3ccccc3c2=O)c(C#N)c1C 40167881 VCFBXICEEVKDLW-OAHLLOKOSA-N 444.512 5.416 30 10 IKEE C=C(Br)Cn1c([C@H](C)NC(=O)Cc2ccc(Cl)cc2)nc2ccccc21 40195262 UDXBJNNZYOQEAT-AWEZNQCLSA-N 432.749 5.018 30 10 IKEE CCCCCCC[C@](O)(c1ccc(OCC)cc1)[C@@H](CN1CCCCC1)c1ccccc1 49767080 UDPZQYXIOHNEEG-VMPREFPWSA-N 437.668 6.903 30 10 IKEE CC/C(=N/Nc1nc(SCC(=O)Nc2c(Cl)cccc2Cl)n[nH]1)c1ccccc1 59020383 ZZKAWFRVCBAGDZ-IWIPYMOSSA-N 449.367 5.069 30 10 IKEE C/C(=N\NC(=N)S[C@@H]1CC(=O)N(c2ccccc2)C1=O)c1ccc(C2CCCCC2)cc1 59489349 YXLKORQCNCWUAX-UJUJBVAOSA-N 448.592 5.048 30 10 IKEE Oc1ccccc1/C=N/c1cc(C(F)(F)F)ccc1Oc1cc(Cl)ccc1Cl 59507035 YSISOKLMINCFMC-KBKYJPHKSA-N 426.221 7.261 30 10 IKEE O=C1N[C@@](c2ccccc2)(C(F)(F)F)S/C(=N/C2CCCCC2)N1C1CCCCC1 96178889 QXPCMONMGSTKOM-NBHLSZMOSA-N 439.547 6.182 30 10 IKEE CCCCCCCCCCOc1ccc(C2=N/C(=C\c3ccccc3OC)C(=O)O2)cc1 97997156 WHGFKJJUGKEUNJ-GFMRDNFCSA-N 435.564 6.559 30 10 IKEE CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)O)OC 100036953 HHZKIUCNCKQUPX-JOCHJYFZSA-N 438.586 6.389 30 10 IKEE CCCCCCCCCCCCCC(=O)Nc1cccc(C(=O)N(CCC)CCC)c1 100442595 QTGLYBOQPPYGOB-UHFFFAOYSA-N 430.677 7.588 30 10 IKEE CCCCCCCCCCCCn1c([C@H](CC)Oc2cccc(C)c2)nc2ccccc21 101261517 DAHKONQINGSISA-NDEPHWFRSA-N 434.668 8.796 30 10 IKEE CCOc1ccc(C(=O)/C(=C\c2ccc(OCC)c(OC)c2)c2nc3ccccc3o2)cc1 102858038 CNBPTNLKEVJVCM-LTGZKZEYSA-N 443.499 6.057 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\S(=O)(=O)c2ccccc2)cc1OCC 169908367 VMGBCXVSCUHQCX-QQTULTPQSA-N 431.598 6.023 30 10 IKEE CCCN1C(=S)N[C@H](c2c(OC)ccc3ccccc23)C(C(=O)c2ccccc2)=C1C 169928664 KLXOGYKIYUFXDA-DEOSSOPVSA-N 430.573 5.647 30 10 IKEE CCCN1CCC(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3)c(OC)c2)C1 169940720 ILEHRGYNYIXBQU-CPNJWEJPSA-N 444.369 5.105 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccccn2)c1 169991722 RQMSUBKZMPJRTE-DEOSSOPVSA-N 442.515 5.387 30 10 IKEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1cccnc1)c1cccc(Cl)c1 170013185 MUDFQQHOXKMUTP-LJQANCHMSA-N 447.903 5.128 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccncc2)cc1 170016552 VZILQCLBNMWGBU-AREMUKBSSA-N 448.522 6.141 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OCC)c3)[C@H]2c2ccccc2)cc1 170047545 MVTSILLTIQCHOB-DEOSSOPVSA-N 443.499 5.267 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccccc2C)cc1 170089430 DLELYDGPZRUEOK-SANMLTNESA-N 441.527 5.496 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(O)cc2)cc1C(C)C 170138253 HLBVGTRIFKPWPG-XMMPIXPASA-N 449.547 5.435 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2C2CCCCC2)c1 170145509 KVYCKZGKZQAZOS-OSPHWJPCSA-N 431.532 5.229 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1cccs1 170159887 BHZBNQGGJUGWKZ-JOCHJYFZSA-N 449.528 5.327 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccs2)cc1 170161535 CAOHNBATMWHLDN-QFIPXVFZSA-N 433.529 5.628 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2cccnc2)c(C)c1 170190291 NEKLRTFLKJEMLV-DEOSSOPVSA-N 442.515 5.269 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccncc2)c1 170200353 AVSGFBMUHGCTMK-RUZDIDTESA-N 438.527 5.360 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(O)c(Cl)c1 170219650 LYLQGICRZAHAEA-JOCHJYFZSA-N 439.939 5.303 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2C)c1 170272523 GZFVCJKFQVDSDN-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(C)o1 170304157 RTDCZJOJXYHSHF-XMMPIXPASA-N 439.467 5.533 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2c2ccc(C#N)cc2)o1 170305131 YRGLRLQPYFQTKK-XMMPIXPASA-N 438.483 5.121 30 10 IKEE Cc1cccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 170462633 RVLKAGXPZRHUPM-SFHVURJKSA-N 440.952 5.773 30 10 IKEE CCCCCCCC[C@@H](NC)c1cc(Br)ccc1I 232958201 UNTOLWBXMVTLJJ-MRXNPFEDSA-N 438.191 6.065 30 10 IKEE CCc1ccc(N=C2S/C(=C\c3ccc(OC)c(Br)c3)C(=O)N2C)cc1 252620711 MKGALFJXTVPANF-OUCYFQBSSA-N 431.355 5.254 30 10 IKEE Cc1c(F)c(F)c(COC(=O)[C@H](c2ccc(OC(F)(F)F)cc2)C2CC2)c(F)c1F 253598916 WJRLIEYALYCOEN-AWEZNQCLSA-N 436.323 5.687 30 10 IKEE O=C(Nc1nc(-c2ccccc2)cs1)C(=NNc1ccccc1)C(=O)c1ccccc1 254498956 VFHXAXBDXWKNHW-UHFFFAOYSA-N 426.501 5.100 30 10 IKEE CC(C)c1ccc(-c2nc3ccc(N=Cc4cc(Br)ccc4O)cc3o2)cc1 254837123 ZGPBEJZBICURJZ-UHFFFAOYSA-N 435.321 6.837 30 10 IKEE C=C(C)[C@@H]1CC[C@@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)C(=O)C[C@@H](O)[C@@]34C)[C@@H]12 257514283 POKGESLRCWHPFR-MMENVZDYSA-N 440.712 7.204 30 10 IKEE CC(=O)Oc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)c1 526743649 BYPRGGRXQWQPJL-QFIPXVFZSA-N 447.874 5.048 30 10 IKEE CCCOc1c(Cl)cc(/C=N\n2c(C)nnc2SCc2ccccc2)cc1Cl 526799457 KKNQPNVDQAOARJ-FMCGGJTJSA-N 435.380 5.857 30 10 IKEE CCCOc1c(Cl)cc(/C=N\n2c(C)nnc2SCc2ccc(C)cc2)cc1Cl 526804534 WVYJGICWPQOIDC-MSXFZWOLSA-N 449.407 6.165 30 10 IKEE CCc1nnc(SCc2cccc(C(=O)OC)c2)n1/N=C\c1cccc(Cl)c1Cl 526825931 GQAMEUVWEIWVQU-KSEXSDGBSA-N 449.363 5.108 30 10 IKEE C=C(C)CN(c1ccc(N2CCCCC2)cc1)S(=O)(=O)c1cc(Cl)ccc1OC 586257105 CPIVTKWPFDNFIE-UHFFFAOYSA-N 434.989 5.110 30 10 IKEE N#Cc1cccc(NC(=O)Nc2ccc(C(=O)NC3CCCCCCCCCCC3)cc2)c1 586687777 BGBMHTYOBLQGEI-UHFFFAOYSA-N 446.595 6.605 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CC[C@H](C)N(C(=O)OC(C)(C)C)C2)c1 698425748 CGGOWDXTFZSJPR-XDHUDOTRSA-N 445.560 5.118 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H]([C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)C1 698869326 LUFUDTOXYBMDJH-QMHKHESXSA-N 433.524 5.106 30 10 IKEE CC(/C=C/c1ccccc1)=NNc1nc(SCc2cccc(Br)c2)n[nH]1 1084196962 KNDJXDIWHGMRCW-UUVGIRHZSA-N 428.359 5.361 30 10 IKEE CCc1ccc(N=C2S/C(=C\c3ccc(Cl)cc3)C(=O)N2c2ccc(CC)cc2)cc1 1084510869 CCVCABMEVNYXQS-AIMMPNMZSA-N 447.003 7.273 30 10 IKEE CC/N=C1/S/C(=C/c2ccc(OCc3ccccc3)c(Br)c2)C(=O)N1CC 1084531836 JEJCMCZMRJCVID-TZIVZOBOSA-N 445.382 5.340 30 10 IKEE CC(C)(C)c1ccc(O)c(N/C(=N/Cc2cccc(C(F)(F)F)c2)NC[C@@H]2CCCO2)c1 1088735586 XFDBANLGLLRSRA-IBGZPJMESA-N 449.517 5.445 30 10 IKEE COc1ccc(/C=C2\SC(=Nc3nc(C)cs3)N(c3ccccc3)C2=O)cc1OC 1772736180 IQDDYYWZCBTPBK-PNVGRYOSSA-N 437.546 5.277 30 10 IKEE Cc1csc(N=C2S/C(=C/c3ccc(C(=O)O)cc3)C(=O)N2C2CCCCC2)n1 1772740143 WHUPUQBREKVCLW-FCBPJKEOSA-N 427.551 5.086 30 10 IKEE N#Cc1cccc(C(=O)Oc2ccc(C3CCN(C(=O)c4cccc(Cl)c4)CC3)cc2)c1 1860695286 UJAUUWQTJAELJA-UHFFFAOYSA-N 444.918 5.451 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)CCCOc1ccc(OC)cc1 1861717640 BNVIIMTVVJDNHN-XMMPIXPASA-N 448.648 5.396 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccccc2)cc1 1862390166 XBFOHUZUORFRIA-CYSDGLOUSA-N 431.576 6.186 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2ccccc2F)cc1C 1862400422 DOMHOCCNSTYZRX-DEOSSOPVSA-N 445.490 5.230 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2cccc(C)c2)cc1C 1862401281 XSANPGUTRSETFX-QHCPKHFHSA-N 447.556 5.195 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@@H]1c1ccc(F)cc1)c1ccccc1Cl 1862430390 JJIINRYTZIEYRW-JOCHJYFZSA-N 439.914 5.948 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CCCCCC2)cc1 1862431297 DLPNMZKRRUTHKD-QFIPXVFZSA-N 439.939 5.650 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1Br 1862487873 LGWAXPDGZQXCDL-HXUWFJFHSA-N 442.353 5.526 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(Cl)cc1Cl 1862498575 LIHGNDZLKKTIIE-OAQYLSRUSA-N 446.374 6.379 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@H]2c2ccc(F)cc2)cc1 1862530030 MPTXDGGOLHXTEX-QHCPKHFHSA-N 449.909 5.820 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2cccc(Cl)c2)cc1 1862535813 KUOHXPSJFOAEAP-QHCPKHFHSA-N 431.919 5.681 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862567752 ZTFZSCFXNXUOPS-GAJHUEQPSA-N 436.552 5.215 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(N(CC)CC)cc1 1862599648 FFMVBZNVUHECNB-HSZRJFAPSA-N 436.552 5.007 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1cccc(O)c1 1862613379 HGKHKFOLSBUXKX-CUHUQNRHSA-N 447.575 5.847 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 1862618167 QVTIHWSKZKGSJC-QHCPKHFHSA-N 445.515 5.364 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 1862666221 YWMGOGQSJJAZIM-QFIPXVFZSA-N 446.459 5.090 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C(C)C)cc1 1862670879 DOCXVLIGXODKHH-VWLOTQADSA-N 449.591 6.366 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862690118 IHJNMKCQMYYICL-BLVKFPJESA-N 434.319 5.379 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)c1 1862694323 GTHNPAWHPCBNMI-VXWZWFMZSA-N 449.547 5.251 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2Cl)c1 1862700605 KCZXSMARNZQCIR-HXUWFJFHSA-N 439.920 5.189 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccccc1Cl 1862725889 UPPMLWWIKPGHDK-QHCPKHFHSA-N 431.919 5.995 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C(=O)N1C1CCCCCC1 1862746198 AQSGBBDEPJJYLF-JOCHJYFZSA-N 434.492 5.204 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)cc1 1862748950 MRIVHPHMXBCOFG-OYHNWAKOSA-N 446.434 5.073 30 10 IKEE Cc1ccc(NC2=C(c3ccccc3F)C(=O)N(c3cccc(C#N)c3)C2=O)cc1Cl 1862927179 LBFVRRQRSQYPBM-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE N#Cc1cccc(Nc2cc(N3CCO[C@@H](c4ccccc4)C3)nc(Cc3ccccc3)n2)c1 1868200893 IKOSRZCYAPDBOJ-RUZDIDTESA-N 447.542 5.261 30 10 IKEE CCCc1nc(Nc2ccc(C#N)cc2)cc(N2CCC(Oc3ccc(OC)cc3)CC2)n1 1868401416 YZGKBXQVWRKECU-UHFFFAOYSA-N 443.551 5.101 30 10 IKEE CCCCCCCCCCn1cc(OCCCO)c(=O)cc1CSc1ccc(C)cc1 1870238264 YOZFIFBTNRQGES-UHFFFAOYSA-N 445.669 6.351 30 10 IKEE C=CCn1cc(OCC(C)C)c(=O)cc1CSc1nc2ccccc2n1-c1ccccc1 1870259529 XWTYDYHWIOGLHD-UHFFFAOYSA-N 445.588 5.700 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc(C)c2)cn1Cc1cccc(C)c1 1870621440 ZHTJBTJRCUIAKZ-UHFFFAOYSA-N 428.576 5.266 30 10 IKEE C=CCn1cc(OCc2cccc(F)c2)c(=O)cc1CNc1ccc(C(F)(F)F)cc1 1871062872 PVGQRBNVMKNPGF-UHFFFAOYSA-N 432.417 5.383 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OC(=O)CCc4ccc(C)cc4)c3C)C2=O)c1 1871367311 FIPYXWHUGQWIOI-JLPGSUDCSA-N 428.484 5.466 30 10 IKEE O=C1/C(=C/c2ccc(F)cc2)Oc2cc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])ccc21 1871373954 XIFPEUYPOOJUFU-UKWGHVSLSA-N 439.782 5.223 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(C)c(-c4ccc(OC)cc4)c(=O)oc3c2)c1 1871389171 XFXCNTWPIZEEBS-UHFFFAOYSA-N 442.467 5.561 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2OC)C3=O)cc1 1871389551 BLSLYEOMENVVPM-IWIPYMOSSA-N 428.440 5.095 30 10 IKEE Cc1c(OCc2ccc(C#N)cc2)ccc2c1O/C(=C\c1c(Cl)cccc1Cl)C2=O 1871417283 GNEGUGCITALNPR-JJFYIABZSA-N 436.294 6.369 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(C(C)C)cc2)ccc2c1O/C(=C\c1ccc(F)cc1)C2=O 1871435255 BLAOFPRSOPFDAZ-OYKKKHCWSA-N 445.490 5.891 30 10 IKEE COc1ccccc1/C=C1\Oc2c(ccc(OCc3ccc(C(=O)OC(C)C)o3)c2C)C1=O 1871439083 HCOQEARYLWAPNW-QRVIBDJDSA-N 448.471 5.357 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccc(F)cc2)C3=O)c1 1871454027 FGPWQWWQLPQBTI-QRVIBDJDSA-N 431.463 5.385 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccccc1OC)C2=O 1871459199 WKFUSEDKZSRGMQ-IWIPYMOSSA-N 443.499 5.200 30 10 IKEE Cc1ccc2oc(=O)cc(COc3ccc4c(c3C)O/C(=C\c3cccc(F)c3)C4=O)c2c1 1871460358 IUTBKWWLKKBTDJ-MSXFZWOLSA-N 442.442 5.744 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(F)cc1 1871833940 CAUYFJLXDVUUOL-HSZRJFAPSA-N 446.588 5.323 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1871861815 QMCWYGVHNORDMM-QFIPXVFZSA-N 446.588 5.125 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1cccs1 1871895396 RYSLZXKHCROKFN-FQEVSTJZSA-N 434.627 5.129 30 10 IKEE COc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)c(OC)c1 1872760241 KKKITRUANCCGRC-RSNBEDGSSA-N 444.556 5.596 30 10 IKEE C[C@@H](Oc1ccc(Cl)cc1)C(=O)[C@H](C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1872760399 NLDGSWOOPRYHOZ-PXAZEXFGSA-N 427.869 5.015 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1 1872765705 VGILTOPCCUHSJW-KRWDZBQOSA-N 439.924 6.204 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(OC(C)C)cc3)n2)cc1 1872770578 YLKUOWFFYOJBBF-QFIPXVFZSA-N 434.561 5.805 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@@H](C#N)C(=O)Cc3cc(C)ccc3C)n2)c1 1872780119 AELGAEHYRSHHAN-NRFANRHFSA-N 434.561 5.643 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@@H]2CCCC[C@@H]2C)=C(c2ccccc2F)C1=O 1873031153 OFNVCUKGPNRPGW-NZQKXSOJSA-N 442.619 6.215 30 10 IKEE C=CCN1C(=O)C(Nc2cc(Cl)cc(Cl)c2)=C(c2c(Cl)cccc2Cl)C1=O 1873289626 WVLKSZKWHYPYRQ-UHFFFAOYSA-N 442.129 5.678 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(C)cc1C)n2Cc1ccco1 1873661868 FUUVWUBOQPHZRN-UHFFFAOYSA-N 441.535 5.120 30 10 IKEE O=C(Nc1ccc(F)c(C(=O)N2CCCC2)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1873769170 UTQWWIXHMVVSNU-UHFFFAOYSA-N 448.338 5.352 30 10 IKEE CCOc1ccccc1OCc1nnc(SCc2ccccc2C)n1/N=C/c1ccc[nH]1 1874240794 YZFIPQAQMHQKMD-CVKSISIWSA-N 447.564 5.067 30 10 IKEE COc1ccccc1OCc1nnc(SCc2ccccc2)n1/N=C/c1ccc(F)cc1 1874288955 UPTCPHOYODAKHW-CVKSISIWSA-N 448.523 5.179 30 10 IKEE C=C(C)CSc1nnc(CCOc2ccccc2)n1/N=C/c1cccc2ccccc12 1874346338 JVKUNKLRUCYUPP-YZSQISJMSA-N 428.561 5.603 30 10 IKEE Cc1cccc(/C=N/n2c(Cc3ccc(C)c(C)c3)nnc2SCc2ccccc2F)c1 1874358714 WDOLOXJTBHXBGS-LQKURTRISA-N 444.579 6.108 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CCc3ccccc3C)nnc2SC)cc1OC 1874359928 GESRHAUEBRHDDM-KOEQRZSOSA-N 438.597 5.163 30 10 IKEE Fc1cccc(/C=N/n2c(CCc3cccs3)nnc2SCc2ccccc2F)c1 1874371465 ALESMDDEXUKOFH-AFUMVMLFSA-N 440.544 5.578 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3F)n2/N=C/c2ccc(F)cc2)c1 1874374707 KADLVZABYJVBRM-JFLMPSFJSA-N 434.515 5.630 30 10 IKEE CN(C)c1ccc(/C=N/n2c(COc3ccccc3)nnc2SCc2ccccc2)cc1 1874384309 IZKUHNDMJDAHQC-YZSQISJMSA-N 443.576 5.098 30 10 IKEE Fc1cccc(CSc2nnc(COc3ccccc3)n2/N=C/c2ccccc2F)c1 1874384928 PIJAJFNLMURSQH-VULFUBBASA-N 436.487 5.310 30 10 IKEE Oc1cccc(/C=N/n2c(Cc3cccs3)nnc2SCc2ccc(Cl)cc2)c1 1874414508 WBPBYWYQTIWWGE-YDZHTSKRSA-N 440.981 5.464 30 10 IKEE CCOc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccccc2F)c1 1874438865 XLTAEEHIXXEERG-MFKUBSTISA-N 426.561 5.579 30 10 IKEE CC(C)(C)Cc1nnc(SCCc2ccccc2)n1/N=C/c1c(F)cccc1Cl 1874439778 RQWGAIGWKOEEEI-MFKUBSTISA-N 430.980 5.876 30 10 IKEE CCSc1nnc([C@@H]2CCCO2)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874444444 DXCIUJVZKFKLIO-PGLVWIQMSA-N 442.972 5.356 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C(F)(F)F)cc1 1874462369 VPBQHSOLZJWLNX-LGJNPRDNSA-N 426.467 5.933 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1/N=C/c1cccc(C)c1 1874474964 BTVXMVLCSONXMR-MFKUBSTISA-N 435.597 5.159 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1/N=C/c1ccc(C(F)(F)F)cc1 1874476724 VPESPNCEOGDQEL-LGJNPRDNSA-N 436.478 5.953 30 10 IKEE CCCCOc1ccc(/C=N/n2c(COC)nnc2SCc2cc(C)ccc2C)cc1 1874501293 ADEJEIKLOWKZMC-MFKUBSTISA-N 438.597 5.395 30 10 IKEE COCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccccc1OC(C)C 1874504306 LHYBHDGDZHTSNI-BHGWPJFGSA-N 448.951 5.179 30 10 IKEE COc1cccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C(C)C)c1OC 1874515786 PWZBKDZCHCYMCV-FSJBWODESA-N 430.961 5.247 30 10 IKEE Clc1ccc(/C=N/n2cnnc2SCc2ccc(Cl)c(Cl)c2)cc1Cl 1874540646 TUCOMZKMRYFKSM-QPJQQBGISA-N 432.163 6.066 30 10 IKEE CC(C)COC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccc2c(c1)CCCC2 1874571956 PCMQCPUJVFKUPY-CCEZHUSRSA-N 442.555 6.193 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(C(C)C)cc1 1874583977 PQTAWTZNQXMGSQ-WYMLVPIESA-N 447.962 6.685 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCc2cccc(Cl)c2)c(OC)c1OC 1874592517 NRIWDKAFQXKCGB-ACCUITESSA-N 438.907 5.841 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccc2c(c1)OCCO2 1874597115 VMNOJSGENKVWOK-XBXARRHUSA-N 441.310 6.240 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 1874604694 APYJNUCVXSBJDB-NTCAYCPXSA-N 445.515 6.339 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(OC)ccc2OC)ccc1OCc1ccc(C)cc1 1874620501 DSVSMDKFKDVBOY-JLHYYAGUSA-N 432.516 5.886 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(OC)c1OCc1cccc(F)c1 1874621429 WENKNGWXIZTBIS-SOFGYWHQSA-N 436.435 5.047 30 10 IKEE C=CCOc1c(Br)cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1OC 1874626805 XVPDUPQBLNUORZ-VQHVLOKHSA-N 431.326 5.544 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3cc(C)ccc3C)c(OC)c2)c(OC)c1 1874632455 YKZCAIUYQOBLDF-XYOKQWHBSA-N 432.516 5.804 30 10 IKEE CCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(CCC)CCC 1874648443 AFPUVHXBCUCYRL-DEOSSOPVSA-N 427.633 5.594 30 10 IKEE CCCCCCC(=O)Oc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)ccc1OC 1874694081 KLTIGUGRIFYQRH-JLHYYAGUSA-N 426.509 5.484 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1OC(=O)CC1CCCCC1 1874702097 HNFGRIDHKUQCNF-YRNVUSSQSA-N 447.358 6.774 30 10 IKEE O=C(COCc1ccccc1)Oc1cccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1 1874718464 GPTGLYQLXYKQCC-FMIVXFBMSA-N 441.310 6.012 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccccc2)CSc2nnc(C3CCCC3)n21 1874924013 YQSVYVXHJZDHMP-NRFANRHFSA-N 426.630 5.998 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc(Cl)c1OC(=O)CC(C)C 1875108312 IYNOANBSKXJWAH-VQHVLOKHSA-N 430.928 5.903 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccs2)c(Cl)c1)c1ccc(Br)cc1 1875109731 BYAIZTQYAKCCMQ-YCRREMRBSA-N 447.737 6.279 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1Cl 1875125275 AECAKSWRIJTYON-NTUHNPAUSA-N 441.310 6.507 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(F)c3)c(OC)c2)cc1 1875138895 IZRLQAZPFYYRIB-NTUHNPAUSA-N 434.463 5.738 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)CCOc3ccccc3)c(Cl)c2)ccc1F 1875141787 VBZNPBHAHFWADX-YRNVUSSQSA-N 438.882 6.058 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OC 1875143687 MAJDTGNBWDWHHM-RVDMUPIBSA-N 426.528 6.695 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)c(C)c3)c(Cl)c2)c(C)c1C 1875167507 FYHNAWRCAWKKDH-YRNVUSSQSA-N 448.946 6.698 30 10 IKEE COCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1Br 1875184135 KCEJWLBNWXCRJZ-JXMROGBWSA-N 445.353 5.503 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N(CC)CC)n2Cc1ccco1 1875233733 PWUILMGGELYKOK-UHFFFAOYSA-N 425.577 5.327 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H]1CC[C@H]2CCCC[C@@H]2N1C(=O)OC(C)(C)C 1922114823 BPDWAEIYZSTBTK-ROHNOIKCSA-N 442.644 5.696 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CC2(CCCC2)CN1C(=O)OC(C)(C)C 1922116352 PNONOLVCSNKXFG-RPWUZVMVSA-N 442.644 5.697 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H]1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 1922124497 HFXGGURVLBGXAA-KEZOAJOQSA-N 428.617 5.163 30 10 IKEE CC(C)(C)OC(=O)NCC1CC(C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 1937322928 PFSHXAHEIMRVNZ-UHFFFAOYSA-N 435.952 5.279 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@H](C#N)c1nc(Br)cs1 1950106522 JZLVDCXUYQCPJY-GFCCVEGCSA-N 428.739 5.565 30 10 IKEE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1(C#N)CCCCCCC1 1984696608 YXCSMIZEECGDTQ-LJQANCHMSA-N 445.563 5.036 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CN(C(=O)OC(C)(C)C)C12CCC2 2015374274 VGBZMJCOBKTNOS-XMMPIXPASA-N 427.545 5.172 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1cccc(NC(=O)OC(C)(C)C)c1 2031660218 LLLWVFUUTIUDQA-OAQYLSRUSA-N 437.540 6.348 30 10 IKEE Cc1sc(C)c([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)c1Br 2032031412 LLVPRXVJOSFWPV-HNNXBMFYSA-N 427.408 6.262 30 10 IKEE Cc1ccc([C@@H](C2CC2)n2nc(C3CCC3)c(C#N)c2I)cc1F 2079127614 RHHYGXZXBQQQEE-GOSISDBHSA-N 435.284 5.074 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@@H](C#N)c1cc(O)ccc1Br 2088245294 FWTASCAJFDBURP-KRWDZBQOSA-N 437.721 5.814 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1cccc2c1COC2 2156053876 KWIYRTLYFLQKEQ-IBGZPJMESA-N 429.314 5.486 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2cc(Br)cc(F)c2C#N)CC12CCC2 2163708991 RBAMCQKQGTZHGE-CQSZACIVSA-N 438.341 5.194 30 10 IKEE COc1cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2C)ccc1Br 2192138632 BVBWBDHOVCPFER-SFHVURJKSA-N 431.330 5.773 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 2208966789 OPNCXKFAKRIARK-XHNVNVPESA-N 443.588 5.351 30 10 IKEE CC1(C)OB(c2ccc(CN(Cc3ccccc3)CC3CCCCC3)s2)OC1(C)C 2214518199 PDZQGEASYCIQPJ-UHFFFAOYSA-N 425.447 5.630 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1sc(C)c(C)c1Br 2221829246 DQIJVYPPOKFCJU-HOCLYGCPSA-N 429.424 5.085 30 10 IKEE CCCc1ccc(C#C[C@H](CCCN(Cc2ccccc2)C(=O)OC(C)(C)C)NC)cc1 2223316133 OBTUXDPJEZDCDT-SANMLTNESA-N 434.624 5.796 30 10 IKEE Cc1sc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)c(Br)c1C 2229241921 VKTPQEZSDCKLAM-OAHLLOKOSA-N 439.350 6.273 30 10 IKEE N[C@H](c1cc(Br)c(Br)cc1F)C(C(F)(F)F)C(F)(F)F 2233981385 IBCAOGVJNCEWFI-SSDOTTSWSA-N 432.959 5.091 30 10 IKEE CCCCCCCCC[C@@H](CO)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2235387816 SHZHRTGYPDRAQO-FQEVSTJZSA-N 442.438 6.692 30 10 IKEE C=CCCCCCC[C@@H](O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237383866 XIRXCGVMIJRBRT-VQTJNVASSA-N 440.422 5.772 30 10 IKEE C=C1CCC(CC(=O)[C@H](Cc2cccc(Br)c2)NC(=O)OC(C)(C)C)CC1 2237417478 SGZNJXQXMBOONJ-IBGZPJMESA-N 436.390 5.591 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCC[C@H](C(C)(C)C)C1 2238182913 YLMHBENFMGTRLI-KSFYIVLOSA-N 435.406 6.689 30 10 IKEE C=CCN(C[C@H](NCCC)c1sc(Br)c(C)c1C)C(=O)OC(C)(C)C 2254706539 ZBWYEHKEAXBMMQ-HNNXBMFYSA-N 431.440 5.591 30 10 IKEE CC(C)(C)OC(=O)NC[C@@]1(C)CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2258857644 RVPVJEFCADSJHZ-RPBOFIJWSA-N 449.636 5.924 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCC(=O)O)c1ccc(Cl)cc1Br 2261984653 VUPMRJGSHXNKFT-IBGZPJMESA-N 425.706 5.018 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NC)c1cc(Br)cc(C(C)C)c1 2266000968 OYBPDRDAIINKQO-RBUKOAKNSA-N 425.411 5.693 30 10 IKEE N[C@@H](C#Cc1cccc(Br)c1)c1cc(Br)ccc1Br 2278787833 DQKSWBHTEOFTPG-HNNXBMFYSA-N 443.964 5.026 30 10 IKEE CC1(C)OB(c2cc(F)c(C(=O)N(Cc3ccccc3)c3ccccc3)cc2F)OC1(C)C 2282083359 OICWUGPBHFSVOA-UHFFFAOYSA-N 449.306 5.111 30 10 IKEE CCCN[C@H](C#CC1CCCC1)c1ccc(Br)cc1I 2289693856 QJGQGYWOCPNHGO-QGZVFWFLSA-N 446.170 5.288 30 10 IKEE O=C1C(=Cc2ccc(Br)cc2)Oc2cc(OCc3ccccc3Cl)ccc21 2296535102 FOEFCUMPJFKGQO-UHFFFAOYSA-N 441.708 6.298 30 10 IKEE O=C(C=CNc1ccc(I)cc1)c1ccc(-c2ccccc2)cc1 2297617139 NZIJOIBOAYKOPO-UHFFFAOYSA-N 425.269 5.767 30 10 IKEE COc1ccc(Br)cc1C=CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 2313629607 MNXPXOIMGWLTSF-GFCCVEGCSA-N 431.355 5.168 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O)c1ccccc1Br 2314438496 VECFQTAIJYUOGP-UHFFFAOYSA-N 439.236 5.424 30 10 IKEE Cc1ccccc1C=NN=C1SC(=CC=Cc2ccccc2)C(=O)N1Cc1ccco1 2314818381 DPYAJECKBJBKRU-UHFFFAOYSA-N 427.529 5.651 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2321307858 HRAVUSKTUCLIAW-RBUKOAKNSA-N 445.535 5.249 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OCc3ccc(Br)cc3)cc(C)c2C1=O 2321847377 FRIKHVAXYRYCHA-UHFFFAOYSA-N 441.346 6.323 30 10 IKEE CC(C)(C)Oc1ccccc1CN1COc2ccc3c(c2C1)OC(=Cc1cccs1)C3=O 2321904821 JBCBLZAWYUKMFI-UHFFFAOYSA-N 447.556 5.894 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(-c4ccccc4)cc1)O3)CN(Cc1ccco1)CO2 2321965229 UOIKIARBXOCZQF-UHFFFAOYSA-N 449.506 6.223 30 10 IKEE O=C(C=Cc1cc(Br)ccc1OCc1ccccc1)c1cccc([N+](=O)[O-])c1 2322307747 YUOJJPLJMDDKLR-UHFFFAOYSA-N 438.277 5.832 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1cn(C)c4ccccc14)C3=O)CN(Cc1ccco1)CO2 2322307902 OAKBYUNZCIWZLL-UHFFFAOYSA-N 426.472 5.048 30 10 IKEE COc1cccc(C=CC(=O)c2ccc3ccccc3c2)c1OCC(=O)Nc1nccs1 2322328373 RDLMQJKMEYLYTK-UHFFFAOYSA-N 444.512 5.219 30 10 IKEE CCCCOCCCN1COc2c(cc3c(c2C)OC(=Cc2sccc2C)C3=O)C1 2322391460 GZDGUUDEPNWLOW-UHFFFAOYSA-N 427.566 5.340 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)c4ccccc4Br)cc(C)c3C2=O)c1 2322711941 BOWXQPCTYHARHS-UHFFFAOYSA-N 449.300 5.901 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OC(=O)c3ccc(C(C)(C)C)cc3)c2C)C1=O 2322737758 GQSJJOUDSUPXTJ-UHFFFAOYSA-N 426.512 6.436 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)c4cccc(C)c4)cc(C)c3C2=O)c(OC)c1 2322880866 IFBNUWYJMONUDK-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1 2323094414 CWQIKJBSGCRATE-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE CCc1ccccc1NC(=O)COc1cc(C=CC(=O)c2ccc(OC)cc2)ccc1OC 2323094454 PWXRHRKVOFRIFX-UHFFFAOYSA-N 445.515 5.180 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)CCCOc4ccccc4)cc(C)c3C2=O)cc1 2323178111 KEDWUZNRBDVZAQ-UHFFFAOYSA-N 444.483 5.384 30 10 IKEE CCN(C(=O)C(=O)C=Cc1ccc(OCc2ccccc2)c(OC)c1)c1cccc(C)c1 2323226235 LPBUKIWBEGPYRU-UHFFFAOYSA-N 429.516 5.218 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1OCC(=O)Nc1ccccc1C 2323230636 QYBRMRARWQWERQ-UHFFFAOYSA-N 437.442 5.195 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1OCC(=O)Nc1cccc(C)c1 2323230653 SXQSCGCJTSDHEK-UHFFFAOYSA-N 437.442 5.195 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OC(=O)Cc3cc(Cl)ccc3Cl)ccc2C1=O 2323403958 DMGJVJUWUHOTFD-UHFFFAOYSA-N 445.323 6.128 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCc3ccc(F)cc3)c(Br)c2)c(C)c1 2323857998 OKLZDHQGBZTDPJ-UHFFFAOYSA-N 439.324 6.680 30 10 IKEE CCCCN(CC)Cc1c(O)cc(C)c2c1OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2324123942 OHFWARRZCPEISE-UHFFFAOYSA-N 441.571 6.606 30 10 IKEE CC(C)COC(=O)COc1ccc(C=CC(=O)c2cccc3ccccc23)cc1[N+](=O)[O-] 2324139960 TUCJPACEQHUQFA-UHFFFAOYSA-N 433.460 5.222 30 10 IKEE CCc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccc(C)cc4)cc(C)c3C2=O)cc1 2324380893 GMQFQCPMJFPMPM-IBGZPJMESA-N 441.527 5.888 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(OC)c(OC)c3)n2)cc1 2324504830 HIDBKRCXZARLIG-LJQANCHMSA-N 434.517 5.116 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OCC(=O)NCc2ccccc2)cc1 2324522392 HEEISYCNINVXOF-UHFFFAOYSA-N 449.934 5.248 30 10 IKEE Cc1c(OCCCCOc2ccccc2)ccc2c1OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2324584896 NLLWJXYFEFARDQ-UHFFFAOYSA-N 445.471 5.757 30 10 IKEE Cc1ccsc1C=C1Oc2cc(O[C@@H](C)C(=O)Nc3ccc(Cl)cc3)ccc2C1=O 2324610123 RSJQSERLMZGKHN-AWEZNQCLSA-N 439.920 5.732 30 10 IKEE CCCCCCOC(=O)COc1ccc2c(c1C)OC(=Cc1c(F)cccc1Cl)C2=O 2325031397 PKNJMSUWPNTYOR-UHFFFAOYSA-N 446.902 5.906 30 10 IKEE C[C@@H](Oc1ccc2c(c1)OC(=Cc1cccs1)C2=O)C(=O)Nc1nc2ccccc2s1 2325417834 PLPSZKCCMGCVAC-CYBMUJFWSA-N 448.525 5.380 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3cc(OCCC(=O)Nc4ccccc4)ccc3C2=O)cc1 2325474525 PKUXSUNXCVLVIJ-UHFFFAOYSA-N 441.527 6.008 30 10 IKEE O=C(C=Cc1ccccc1Cl)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1 2325552449 OTOVEQNZQFLCBZ-UHFFFAOYSA-N 426.299 5.793 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(N(C)C)cc1 2325610526 HHRQRASOPOABMV-UHFFFAOYSA-N 434.396 5.388 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)COc3ccc(OC)cc3)c2)cc1 2325704713 UZMPGCMGBYWMDW-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE Cc1c(OCC(=O)Nc2cccc3ccccc23)ccc2c1OC(=Cc1ccco1)C2=O 2325707104 FAYPGRHSMTYICP-UHFFFAOYSA-N 425.440 5.375 30 10 IKEE COc1cccc(C(=O)C=Cc2cccc(OC(=O)COc3c(C)ccc(C)c3C)c2)c1 2325707550 PSTIICTYGKJUDW-UHFFFAOYSA-N 430.500 5.501 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4cccc(C)c4)cc(C)c3C2=O)cc1 2325727472 HGATZSPUPPTXOV-UHFFFAOYSA-N 427.500 5.500 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2ccc(C)cc2C)cc1OC(=O)C(C)C 2325735880 HVGRNCNOGXXYSU-UHFFFAOYSA-N 431.326 5.532 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC(=O)[C@H]1CCCO1 2325753760 FLEIFTVRPXOLSI-HSZRJFAPSA-N 438.520 5.116 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC(=O)Cc2ccc(F)cc2F)c1 2325765555 NOKZUEFEPXHRQP-UHFFFAOYSA-N 448.509 6.615 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)ccc2OC)cc1OC(=O)c1cncc(C)c1 2325780383 SUDPBEOANFZPQD-UHFFFAOYSA-N 437.879 5.176 30 10 IKEE CCSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1ccc(F)cc1 2325912084 YIYWCWXGNYCJST-UHFFFAOYSA-N 425.316 5.297 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1ccc(C(F)(F)F)cc1 2326417732 ICEVZYQRPTXIPY-UHFFFAOYSA-N 446.542 6.431 30 10 IKEE CCCc1ccc(OCc2nnc(SCc3cccc(F)c3)n2N=Cc2ccc[nH]2)cc1 2327345668 HKSXIPCUGMHQCD-UHFFFAOYSA-N 449.555 5.451 30 10 IKEE CCCSc1nnc(COc2ccccc2Cl)n1N=Cc1c(F)cccc1Cl 2327679046 XCFPSILINHIAPW-UHFFFAOYSA-N 439.343 5.687 30 10 IKEE CCCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1ccc(C(F)(F)F)cc1 2328510799 PSTGWZMUIXPNRE-UHFFFAOYSA-N 449.458 5.180 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(OC)cc2)n1N=Cc1ccc(C(C)(C)C)cc1 2328576540 CSQCBOIQIRWYKS-UHFFFAOYSA-N 448.636 5.920 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1ccc([N+](=O)[O-])cc1 2328944836 CSADPWWRIMEXLK-UHFFFAOYSA-N 435.553 5.139 30 10 IKEE CCCSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1cccc2ccccc12 2328965484 AVWDMWGHFGXLFY-UHFFFAOYSA-N 428.605 6.218 30 10 IKEE C=CCSc1nnc(CCOc2ccccc2)n1N=Cc1ccc(OCCCC)cc1 2329207581 PUWJGEKMPGPFAF-UHFFFAOYSA-N 436.581 5.239 30 10 IKEE Fc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2ccc(F)cc2F)cc1 2329837292 ZFEYHQKAAAGPSA-UHFFFAOYSA-N 438.478 5.461 30 10 IKEE Cc1cccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccccc2C)c1 2330164685 VCMSDJDBOPWMFH-UHFFFAOYSA-N 426.589 5.855 30 10 IKEE Oc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccccc2F)cc1O 2330272873 QURMBFBFWDZGIS-UHFFFAOYSA-N 440.544 5.126 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1C 2330592878 MPULUCWUZCGIMD-UHFFFAOYSA-N 446.546 7.015 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3ccccc3F)nnc2-c2ccccc2)c1 2330672128 XIASBZUQQCXHJK-UHFFFAOYSA-N 446.551 6.048 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(OC)c1OC(=O)CCOC 2330674837 TYATXGMSMLMKFL-UHFFFAOYSA-N 430.500 5.415 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3Cl)cc2Cl)cc1 2330807755 VFWMKIDHGNMRSW-UHFFFAOYSA-N 445.729 7.071 30 10 IKEE Cc1ccc(C=Nn2c(SCC(=O)Nc3ccc(C)cc3C)nnc2C2CCCC2)cc1 2331100851 QAVYFWNOZVDPNG-UHFFFAOYSA-N 447.608 5.474 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc([N+](=O)[O-])c1OC(=O)c1ccc(C)cc1 2331174277 DTRINJSERVYJJZ-UHFFFAOYSA-N 431.444 5.417 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)cc1 2331189790 DBJSGGKYQPAUMO-UHFFFAOYSA-N 444.571 6.493 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)[C@@H](C)c1ccccc1 2331256695 QNEKIPKMXKOFKM-SFHVURJKSA-N 434.919 6.262 30 10 IKEE CCCCc1nnc(SCC)n1N=Cc1c(OCc2ccccc2)ccc2ccccc12 2331331279 ZGGPWRHEKBBAQF-UHFFFAOYSA-N 444.604 6.347 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)CCOc1ccccc1 2331349484 XBELNIBWZUHEPG-UHFFFAOYSA-N 434.463 5.413 30 10 IKEE C=C(C)CSc1nnc(C(C)(C)C)n1N=Cc1ccc(OCc2ccccc2C)cc1 2331394490 MLOWZLQMIVZPEW-UHFFFAOYSA-N 434.609 6.013 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc(F)c2)c(Br)c1)c1ccc(F)cc1 2331525876 NWDJOEGBXDSLHA-UHFFFAOYSA-N 443.243 5.843 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(C)c([N+](=O)[O-])c1 2331535255 ARZBFDROOMVDPA-UHFFFAOYSA-N 449.434 5.556 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)c1cc(C)cc(C)c1 2331632406 NMDOHBSFAMHWAV-UHFFFAOYSA-N 444.527 6.053 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OC(=O)c3cccnc3)c([N+](=O)[O-])c2)c1C 2331648835 OMDOPAKIGWZZHB-UHFFFAOYSA-N 430.460 5.339 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)Cc2ccccc2Cl)cc1 2331659305 FJBIFJSPIHQIPB-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C3CC3)n2N=Cc2ccccc2Cl)c1C 2331725141 SMECQKYHYGHENG-UHFFFAOYSA-N 439.972 5.039 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OC(=O)Cc2cccs2)cc1 2331741355 XXUPBHGZMAHRST-UHFFFAOYSA-N 426.921 5.763 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)C2CCCC2)c(Cl)c1 2331756761 FRWNXJSBGSRRHS-UHFFFAOYSA-N 433.331 6.302 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1Cl 2331802643 QGWCPFYEQJIBOU-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE CC(C)c1ccc(C=CC(=O)Nc2c(C#N)nnn2-c2cc(Cl)cc(Cl)c2)cc1 2332187568 SHQJAUNCZYGLGE-UHFFFAOYSA-N 426.307 5.221 30 10 IKEE CC1(C)OB(c2cccc(Nc3ccc(Cl)c(Br)c3Cl)n2)OC1(C)C 2337003450 GRVMVCKHPURBOR-UHFFFAOYSA-N 443.965 5.194 30 10 IKEE CC1(C)OB(/C=C/c2ccc(Oc3cccc(I)c3)nc2)OC1(C)C 2339598165 YXQICQAHLAEKLZ-ZHACJKMWSA-N 449.097 5.123 30 10 IKEE Cc1cccc(NC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)c1B1OC(C)(C)C(C)(C)O1 2352784387 WRSRLUYANOPCDL-IBGZPJMESA-N 434.389 5.127 30 10 IKEE Cc1cc(Oc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)cc(C)c1Br 2364928765 YCMPFELXOLJJMP-UHFFFAOYSA-N 438.558 5.206 30 10 IKEE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@@H]1Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2365102162 ZAUWBPKPAFLOIY-ZZYHAFTGSA-N 447.432 5.295 30 10 IKEE CC1(C)[C@@H](CNc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN1Cc1ccccc1 2365124566 IXIJKKPXNKFLRX-LKVFMFGUSA-N 447.432 5.439 30 10 IKEE CCCCCCCCOC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1ccccc1 33354430 CVNMVWYEEXXDLC-HSZRJFAPSA-N 427.610 5.622 30 10 IKEE biogenic CC(C)(C)c1cc(/N=C/C=C/C2=C3N(CCC2)c2ccccc2C3(C)C)cc(C(C)(C)C)c1 34865235 PQNSURMKLICNHT-FBVATVGESA-N 440.675 8.386 30 10 IKEE C=CCN(Cc1nccn1Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(OC)c1 35979831 ZRYKPVCICUEQHU-UHFFFAOYSA-N 430.335 5.075 30 10 IKEE C=CCc1ccccc1OCc1nc2ccccc2n1CCCOc1c(C)cccc1C 39907107 SRUCLZIURYLOAD-UHFFFAOYSA-N 426.560 6.430 30 10 IKEE CCOC(=O)C1=C(Nc2ccccc2)S/C(=C/c2cccc(Oc3ccccc3)c2)C1=O 100209298 PJRDDFLGOUFKBY-OQKWZONESA-N 443.524 6.023 30 10 IKEE CCCCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCN(C)C3 101141202 VIDPSKDQEZGVBF-UHFFFAOYSA-N 441.666 5.888 30 10 IKEE CCCCCCCCCn1c([C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)nc2ccccc21 102206561 NJDLJTUICZPRON-HSZRJFAPSA-N 431.624 6.924 30 10 IKEE O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@H](c2ccccc2)/C1=C(/O)c1cccs1 102904481 XZXPLAAQCYRUHG-LYHOESIGSA-N 436.489 5.123 30 10 IKEE O=C1C(=O)N(c2nccs2)[C@@H](c2ccc(Cl)cc2)/C1=C(/O)c1cc2ccccc2o1 102909670 MVZFIDBCXKXFHX-VZCCSQPZSA-N 436.876 5.169 30 10 IKEE C=CC/N=c1\scc(-c2ccc(OC)cc2OC)n1/N=C(/CC)c1ccc(F)cc1 105802701 XHVWJEVQWLKFFP-AZFJSYCHSA-N 425.529 5.122 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccc(O)cc2)cc1C 169960880 UNGMHQAIJZLCSS-XMMPIXPASA-N 427.500 5.409 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2cccs2)cc1 169985837 HKQJYRHIOAZDNS-HXUWFJFHSA-N 439.920 5.583 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1cccs1)c1ccc2ccccc2c1 169985906 SZXWOWUNGVGCNN-JOCHJYFZSA-N 445.927 6.338 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2ccc(F)cc2)c1 170060584 VGDYJTUOZQXYCX-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccc(F)cc2)c1 170061249 UWMDDDAPICMWAR-XMMPIXPASA-N 445.490 5.624 30 10 IKEE Cc1ccc(C2=C(Nc3cc(Cl)ccc3C)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170140896 ZBJPZARHAVBHMU-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@H]3c3cccc(C)c3)oc12 170144066 ZFYQFQSBEARULJ-QFIPXVFZSA-N 443.455 5.121 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C2CCCC2)c1 170148591 UCULPFRHYDIZDO-FQEVSTJZSA-N 430.331 5.823 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1cccs1)c1ccc2ccccc2c1 170157437 YZHHSYYZCRCECB-QFIPXVFZSA-N 427.481 5.390 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(OCC)c2)cc1 170218751 KOFNXQKFDPEOCA-HSZRJFAPSA-N 435.520 5.005 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccccc2)cc1 170224646 FGHRSPAFDIGBKO-XMMPIXPASA-N 443.499 5.210 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccccc2)c1 170225594 VHJHJTCDIUIZFZ-AREMUKBSSA-N 433.507 6.240 30 10 IKEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4cc(F)ccc4F)[C@H]3c3ccccc3)ccc2O1 170229660 JRKDONAMSQRNPX-FATZIPQQSA-N 447.437 5.071 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1ccc2c(c1)CCO2 170235307 YIRCCKHZEGDRFW-JOCHJYFZSA-N 431.875 5.058 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2F)c1 170251535 SYYSLXPDFMNEOW-HSZRJFAPSA-N 437.511 5.526 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(CC)cc1 170268055 LMXRTAPBCJMGDQ-DEOSSOPVSA-N 435.564 5.581 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]2c2ccco2)cc1 170288346 CLKTYBHPRPLSKL-OAQYLSRUSA-N 437.879 5.423 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2C2CCCCC2)o1 170308305 CSGBABZWANVMNG-QHCPKHFHSA-N 435.564 6.105 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(OC(C)C)cc2)cc1 170328455 UPORAJGPKBGFMU-JOCHJYFZSA-N 449.528 5.327 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]2c2ccc(N(C)C)cc2)c1 170443081 PXWWCXAIAXRUJK-JOCHJYFZSA-N 436.552 5.057 30 10 IKEE N#Cc1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 247644533 JJDJJEPKHFYEGL-UHFFFAOYSA-N 435.930 5.969 30 10 IKEE CC(=NN1CCN(C2c3ccccc3-c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 252625042 QBOYWXAEFZSXCI-UHFFFAOYSA-N 436.386 6.105 30 10 IKEE C[C@]12CC[C@@H](O)CC1=CC[C@H]1[C@H]2CC[C@@]2(C)C(=NN=Cc3ccc([N+](=O)[O-])s3)CC[C@H]12 254341023 BKFIBDWKIPCPQA-LMYZLMTKSA-N 441.597 5.755 30 10 IKEE COc1ccc(C=Nc2nc3c4ccccc4nc(/C=C/c4ccc(OC)cc4)n3n2)cc1 254355009 ZWHMREMTKWMYFD-VGSYHSKVSA-N 435.487 5.216 30 10 IKEE CCCCCCCCOc1cccc(C=Nn2cnc3c([nH]c4cc(OC)ccc43)c2=O)c1 254828407 MBDGIKFMAKBYHB-UHFFFAOYSA-N 446.551 5.508 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccco2)cc1OC 526489957 XZDIVRJUWLZNPZ-HSZRJFAPSA-N 430.460 5.006 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@H](C#N)c1cccc(I)c1 698493904 RULURSDNXQAAAY-QGZVFWFLSA-N 434.277 5.298 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@@](C)(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 698900722 MTVBQWHKWYISNS-HTAPYJJXSA-N 435.590 5.167 30 10 IKEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1cccc(Br)c1Cl 706535717 PKUJRWTYFJGSHS-INIZCTEOSA-N 444.801 5.246 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1c(F)cccc1Cl 710834798 YHZVAFDTSXFDLS-MRXNPFEDSA-N 439.712 6.248 30 10 IKEE C=CCC1([C@H](C[C@@H](C)COCc2ccccc2)NCCC)CN(C(=O)OC(C)(C)C)C1 722941739 VXCYHTMCPFZBBA-GGAORHGYSA-N 430.633 5.411 30 10 IKEE O=C(/C=C/C=C\c1ccccc1)C(C(=O)/C=C/C=C\c1ccccc1)=C1SCCCS1 725420174 WDGPLMWZJKVASP-DEJRFBLFSA-N 444.621 6.746 30 10 IKEE Cc1cc(C=Nc2ccc(C3CCCCC3)cc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 1084351104 LLOKIBRPCLRTLL-UHFFFAOYSA-N 444.531 6.289 30 10 IKEE Cc1cc(O)ccc1N/C(=N/Cc1cc(Br)ccc1F)NC1CCCCC1 1088663281 ICNJEGRPVLNUCI-UHFFFAOYSA-N 434.353 5.493 30 10 IKEE CC(C)(C)c1ccc(O)c(N/C(=N/C2CCCCC2)N2CCC(N3CCCC3)CC2)c1 1088685133 LYEYFTUJOLEDHX-UHFFFAOYSA-N 426.649 5.351 30 10 IKEE COc1ccccc1/C=C1/S/C(=N/N=C/C=C/c2ccccc2)N(Cc2ccco2)C1=O 1615304638 UVUWVKGQHWAVAS-SVYCYGHVSA-N 443.528 5.460 30 10 IKEE C#Cc1ccc(NC(=O)CNc2nc(C)nc3sc(-c4ccccc4)cc23)c(Cl)c1 1636512857 UANYHPKSTNMKLN-UHFFFAOYSA-N 432.936 5.352 30 10 IKEE CCN1C(=O)/C(=C/c2cccc(OCc3ccc(C)cc3)c2)SC1=Nc1ccccn1 1772731665 PJYIFBYCUHFMJS-MTTLQMSQSA-N 429.545 5.593 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(OCC)cc2)SC1=Nc1nc(-c2ccccc2)cs1 1772736151 JLDFXFLIJVXZTC-LLLXPECQSA-N 447.585 5.999 30 10 IKEE O=C1/C(=C/c2c(F)cccc2Cl)SC(=Nc2ccncc2Cl)N1c1ccccc1 1772738305 UEQQMWDYSUYKRA-CCOMCPQUSA-N 444.318 6.336 30 10 IKEE Cc1c(C(=O)N2CCC(C)CC2)oc2c1C(=NNc1cccc(C(F)(F)F)c1)CCC2 1772750690 GNAUZCXDVNMJMQ-UHFFFAOYSA-N 433.474 5.631 30 10 IKEE N#Cc1ccc(COc2cccnc2NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 1858866186 PVTNFDVCMVREPD-UHFFFAOYSA-N 436.471 5.969 30 10 IKEE N#Cc1cccc(C(=O)Oc2cccc3c(NC(=O)c4ccc(Cl)s4)cccc23)c1 1858929640 UTYICRSPCATDHS-UHFFFAOYSA-N 432.888 5.898 30 10 IKEE Cc1ccc(-c2csc(SCC(=O)Nc3sc4c(c3C#N)CCC4)n2)c(C)c1 1860800732 MFZJGIMXXBYLQL-UHFFFAOYSA-N 425.604 5.580 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)c1ccccc1Br 1861020779 IGBKMCCSVSHNDB-JOCHJYFZSA-N 439.438 5.605 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(C)cc2)cc1 1862389851 PJBCCWOEMIVRQY-VWLOTQADSA-N 431.576 6.249 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2ccc(C)cc2)cc1C 1862400783 MQQNCGXVDVSZGN-VWLOTQADSA-N 441.527 5.399 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccccc2Cl)=C(O)C(=O)N1Cc1ccccc1F 1862429309 KIARHSSDOBDWHR-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccccc2Cl)=C(O)C(=O)N1CCOc1ccccc1 1862429364 LNMQRXOPWITRIK-HSZRJFAPSA-N 447.918 5.306 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(C(C)C)cc1 1862434277 VVGOGTDLKNQWDC-QFIPXVFZSA-N 425.956 6.088 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccccc1Cl)c1cccc(Cl)c1 1862445725 CAFBZQOUXBBAIT-HXUWFJFHSA-N 439.298 5.167 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862452713 JAESGMXSJNJPGR-SFHVURJKSA-N 449.290 5.136 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCCC2)cc1OC 1862488084 QKMIQCFAPBMJFL-DEOSSOPVSA-N 449.547 5.313 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@H]2c2ccccc2C)c1 1862490478 WLCVGJRBFJVJKX-DEOSSOPVSA-N 445.946 6.044 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(Cl)cc1Cl 1862498166 BJQLJNWIDHMDDU-JLTOFOAXSA-N 432.347 5.987 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2cccc(O)c2)ccc1F 1862507233 HBOUIODMPKBAKT-XMMPIXPASA-N 445.490 5.051 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(OC)cc3)[C@H]2c2cccc(F)c2)cc1 1862530196 OHOJTSNEVSUZDV-DEOSSOPVSA-N 445.490 5.175 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccc(OC(C)C)c(OC)c2)cc1 1862541855 VEGVXADTMSHXIV-QHCPKHFHSA-N 437.536 5.032 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCC(C)C)cc1 1862548689 YECRPKRGOFBKGG-VWLOTQADSA-N 431.576 5.752 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C(C)C)cc3)[C@H]2c2ccccc2F)cc1 1862663292 QTEZXVJNFKBTKD-RUZDIDTESA-N 443.518 6.036 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862673886 QLHPSTCJFKEISH-QHCPKHFHSA-N 433.454 5.306 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1c(F)cccc1Cl 1862693182 YXPKNNFANBLBJO-FQEVSTJZSA-N 431.891 5.256 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862716302 DHMRGVWYZMOVNE-FQEVSTJZSA-N 426.299 5.745 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862744499 ODPOYCSVLOFOPV-SFHVURJKSA-N 449.290 5.280 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(Cl)cc3Cl)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862896270 FZWVWIPJSDBRIT-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE CC(C)(C)c1ccccc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccccc2F)C1=O 1862933362 LOOIPXHMJNOGDF-UHFFFAOYSA-N 439.490 5.391 30 10 IKEE Cc1cc(C2=C(Nc3ccccc3Cl)C(=O)N(c3ccc(C#N)cc3)C2=O)ccc1F 1863093533 SGCAQVVVTZEDTD-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE N#Cc1ccc(NC2=C(c3c[nH]c4ccccc34)C(=O)N(C3CCCCCCC3)C2=O)cc1 1863492978 JCFQTYOLVQISLM-UHFFFAOYSA-N 438.531 5.344 30 10 IKEE CCCCCCCCn1cc(OCc2c(C)cc(C)cc2C)c(=O)cc1CN(C)CCO 1870379351 JPQFMOWJIGTKIO-UHFFFAOYSA-N 442.644 5.137 30 10 IKEE CC(C)CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1cccc(N(C)C)c1 1871252097 KKMHLBASVJHTEQ-UHFFFAOYSA-N 444.579 5.023 30 10 IKEE CC[C@H](C)N1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(-c2ccccc2)cc1)C3=O 1871351822 BQTOMNXOUMREPD-QETRNLNESA-N 425.528 6.229 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc3c(c2C)O/C(=C\c2sccc2C)C3=O)cc1 1871374332 FLSWAWFGQVUJRJ-STZFKDTASA-N 434.513 5.528 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc(OC)cc4)cc(C)c3C2=O)cc1 1871377170 YDTMDLOQOWDJDM-NFOYZZEQSA-N 442.467 5.247 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2sccc2C)C3=O)c1 1871387876 OYGBQSGNPKTMIP-STZFKDTASA-N 434.513 5.989 30 10 IKEE C[C@H](Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O)C(=O)Nc1ccc(F)cc1 1871400905 OHPGRSHFDQGOBI-HUOUDGIMSA-N 429.447 5.404 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCc4ccc(C(=O)OC(C)C)cc4)ccc3C2=O)cc1 1871404660 NGIWHERRBCQVND-QFEZKATASA-N 428.484 5.755 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)c1 1871410706 AHYSMWSXMXTREP-WTZXFZKGSA-N 445.490 5.773 30 10 IKEE CC(=O)c1cccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2cccs2)C3=O)c1 1871426720 WWNXCFBGQBNZGE-GLFIFPSUSA-N 447.512 5.281 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2C)C3=O)c(Cl)c1 1871435768 BCPDZRLHUFZBME-FMCGGJTJSA-N 447.918 5.899 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(F)cc1 1871835695 KHTJFJBZEFXRSF-QHCPKHFHSA-N 446.588 5.323 30 10 IKEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1872091676 CJTKJTLPUPFVTF-HSZRJFAPSA-N 442.625 5.158 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(Cl)c(C)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872314705 FGBOYTMAUJPRGO-JTSKRJEESA-N 449.016 5.187 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cc(C)ccc1C)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872549869 JCXOESZRALSGCY-XMMPIXPASA-N 442.625 5.150 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(C(C)C)cc3)n2)cc1OC 1872761948 ZTHOHXYZCSPDRR-OEMHODTASA-N 432.545 5.840 30 10 IKEE CCOC(=O)Oc1ccc(C(=O)[C@@H](C#N)c2nc(-c3cccc(Cl)c3)cs2)cc1 1872767455 SCDYDOGTJONCRS-QGZVFWFLSA-N 426.881 5.489 30 10 IKEE COc1ccc(OC)c(-c2csc([C@H](C#N)C(=O)Cc3ccc(Cl)c(Cl)c3)n2)c1 1872770742 CZECJXDKLGYCSV-OAHLLOKOSA-N 447.343 5.553 30 10 IKEE Cc1cc(OCCCC(=O)[C@H](C#N)c2nc(-c3cccs3)cs2)cc(C)c1Cl 1872774221 KQDGMOQERSACKV-INIZCTEOSA-N 430.982 6.177 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc1 1872780142 AZQCVSDRCPJZRM-OGECGYFKSA-N 432.545 5.724 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(C)cc2)C(=O)N([C@@H]2CCCC[C@H]2C)C1=O 1873143319 IGYKXJZIEWHDHI-ISKFKSNPSA-N 438.656 6.384 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C(C)(C)C)cc2)=C(c2cccnc2)C1=O 1873269128 LVFMKSHGYKZOEU-UHFFFAOYSA-N 433.596 5.932 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(OCC)c2)=C(c2ccc(C)c(C)c2)C1=O 1873362469 BGPSETNZPBFNPJ-UHFFFAOYSA-N 448.607 6.255 30 10 IKEE CCCCC1CCC(c2nnc(SCCCO)n2/N=C/c2ccc(OC)cc2)CC1 1874286447 GXKCKLHNUIHDNL-JJIBRWJFSA-N 430.618 5.107 30 10 IKEE Cc1ccc(/C=N/n2c(CCOc3ccccc3)nnc2SCCc2ccccc2)cc1 1874346584 WIHBKVMXUXGGDB-NHFJDJAPSA-N 442.588 5.425 30 10 IKEE CSc1nnc(CCc2ccccc2C)n1/N=C/c1cccc(OCc2ccccc2)c1 1874360099 ONZRZGJDNUXUER-OVVQPSECSA-N 442.588 5.555 30 10 IKEE CCCOc1c(/C=N/n2c(SCC)nnc2-c2ccccc2Cl)cccc1OC 1874366804 VAJOXNKXDCIWRC-OEAKJJBVSA-N 430.961 5.390 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2[C@@H](C)c2ccccc2)c1 1874394795 VYDHMVCKPUVTED-NLTKLDOMSA-N 446.551 5.752 30 10 IKEE Cc1cccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccc(O)cc2O)c1 1874406781 TYKWZVLNUVUCFW-MFKUBSTISA-N 436.581 5.295 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3)n2/N=C/c2cccc(F)c2)c1 1874416861 LSPIKESNHVEKRP-JVWAILMASA-N 430.552 5.799 30 10 IKEE COc1ccccc1/C=N/n1c(CC(C)(C)C)nnc1SCc1cccc2ccccc12 1874440350 WDBLPUWBOMYVDA-WPWMEQJKSA-N 444.604 6.203 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccccc1Cl 1874480565 CHSKCZRERDEKHJ-WYMPLXKRSA-N 437.371 6.241 30 10 IKEE COc1cc(/C=N/n2c(CC(C)C)nnc2SCc2ccc(Cl)cc2)ccc1O 1874491305 KKFLSTROHTVCDQ-FSJBWODESA-N 430.961 5.019 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1/N=C/c1ccc(OCC)c(OCC)c1 1874507879 ZRJQKFJTBWRIMF-MFKUBSTISA-N 442.560 5.342 30 10 IKEE CCCOc1c(/C=N/n2c(SCc3ccccc3C)nnc2C(C)C)cccc1OC 1874510740 YBXYKKVEEFXCSG-MFKUBSTISA-N 438.597 5.682 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)N[C@H](C)c2ccccc2)cc1 1874572215 BPDFGHJZKLGAGJ-CECJQHFESA-N 443.543 5.410 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C/C(=O)c2cccc(Cl)c2)cc1 1874577205 BYHHZYOUEYHLGB-YRNVUSSQSA-N 440.326 6.215 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccccc1/C=C/C(=O)c1ccc(C(C)(C)C)cc1 1874581829 IHRBJLIILNBWSK-OBGWFSINSA-N 441.571 6.515 30 10 IKEE C=CCOc1c(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc(Br)cc1OC 1874586335 JEGAAQZZZGXPPV-VQHVLOKHSA-N 431.326 5.544 30 10 IKEE Cc1ccc(NC(=O)COc2ccccc2/C=C/C(=O)c2c(C)cc(C)cc2C)c(C)c1 1874588893 KHKIWQMYTFMWBL-ACCUITESSA-N 427.544 6.142 30 10 IKEE CCOc1c(Br)cc(/C=C/C(=O)c2ccc(CC)cc2)cc1Br 1874604470 ODTMWORLRGAVLO-JXMROGBWSA-N 438.159 6.069 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1 1874628895 BAPMHQPAMWKBSA-NTCAYCPXSA-N 427.544 6.142 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2ccc(OCc3cccc(F)c3)cc2)cc1Cl 1874631190 OWAQTVJMYQEDRB-DHZHZOJOSA-N 426.871 5.971 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(OC)c1OCc1ccc(F)cc1 1874634200 POBKIUPOKMBHJE-DHZHZOJOSA-N 434.507 6.243 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)cc1Cl 1874636124 KQTUUAFYNOBMII-RUDMXATFSA-N 431.290 6.616 30 10 IKEE CCCCC1CCC(C(=O)Oc2cccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)c2)CC1 1874692721 UYNCLMGEWZTAIS-DTQAZKPQSA-N 435.520 6.393 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)c1)c1cccc(Cl)c1 1874699057 BKVWQHFSUOZFJA-QFBGAIGZSA-N 437.322 6.599 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCc3ccc(CC)cc3)c2)cc1 1874703288 IRKOJMCRFHMWNX-LDADJPATSA-N 442.555 6.472 30 10 IKEE Cc1cc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(Cl)c(Cl)c3)c2)ccc1F 1874704160 ZGQGKLIDZMAAFQ-BJMVGYQFSA-N 429.274 6.556 30 10 IKEE CCCCC(=O)Oc1cc(/C=C/C(=O)c2ccc(OCC)cc2OCC)ccc1OC 1874714782 NGXCDHSPUGCZNC-GXDHUFHOSA-N 426.509 5.484 30 10 IKEE CCCCCCCCC(=O)N1[C@H](C)CSc2nnc(Cc3cccc4ccccc34)n21 1875056960 QAOPDOKUUSKBDS-LJQANCHMSA-N 436.625 5.732 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc([N+](=O)[O-])cc1 1875104103 GIWAJVNCISIZDH-KGVSQERTSA-N 442.254 6.017 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)CCc3ccccc3)c(OC)c2)cc1 1875112346 CYWDSQLICKBBKG-OQLLNIDSSA-N 446.499 5.147 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC(C)(C)C)c([N+](=O)[O-])c2)cc1 1875138130 HMDZEWABYHBAFW-WUXMJOGZSA-N 425.481 5.621 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC(=O)[C@H](C)c1ccccc1 1875144320 OWDNONBFNAPYEB-XSSIKURBSA-N 430.500 5.617 30 10 IKEE C[C@@H]1CCCC[C@]1(C#N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875690505 VLVKZFGGKFCCHF-RNOQYBQRSA-N 441.571 6.598 30 10 IKEE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(C)cc(C#N)c1 1901484264 XKQKITDPIKRAGE-RUZDIDTESA-N 439.515 5.123 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1ccc(Cl)c(NC(=O)OC(C)(C)C)c1 1922087274 XLLIGMDJBAPIDH-QFIPXVFZSA-N 430.976 6.111 30 10 IKEE C[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)CCN1Cc1ccccc1 1949367073 PADNQABCFULADU-UQBPGWFLSA-N 439.987 6.028 30 10 IKEE C#Cc1cccc([C@H](CCNC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)O)c1 1952517171 NEKRTCDMJDNNRO-OAQYLSRUSA-N 439.511 5.155 30 10 IKEE C=CCCCCC[C@H](NC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997456299 QHXNBAHXCSJSNQ-OZXSUGGESA-N 430.633 5.555 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@@H](NC(=O)OC(C)(C)C)C1(C)C 2013406954 LLWAUOCHJPAMQT-KOSHJBKYSA-N 429.561 5.322 30 10 IKEE C=CCCCCCCCC[C@H](N)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2026312753 JNBMCYIHCQIMSI-XWGVYQGASA-N 432.649 6.119 30 10 IKEE O=C(C=Cc1ccc2nccnc2c1)c1c(O)nc2ccc(Cl)cc2c1-c1ccccc1 2040503217 OXGYPQSHKDDGJO-UHFFFAOYSA-N 437.886 6.100 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)([C@H](N)CC#CC2CCCCC2)C1 2041893606 MKNPQJKUBMZWLO-SHQCIBLASA-N 440.628 5.132 30 10 IKEE CCc1ccc([C@H](C(C)C)n2nc(C(C)C)c(/C=N/O)c2I)cc1 2079051281 BRVQRVPAPSTGMU-NIQDBXHUSA-N 439.341 5.227 30 10 IKEE CCCc1ccc([C@@H](C2CCC2)n2nc(C(C)C)c(C#N)c2I)cc1 2080036692 XFDBEZQIUPBXIE-HXUWFJFHSA-N 447.364 5.825 30 10 IKEE CC[C@H](c1c(C)cc(C)cc1C)n1nc(C(C)(C)C)c(C#N)c1I 2080048056 NAQQZJLATKMSLN-MRXNPFEDSA-N 435.353 5.582 30 10 IKEE CCCOc1ccc([C@@H](C(C)C)n2nc(C3(C)CC3)c(C=NO)c2Br)cc1 2080071541 KICLBMGVKKAEHR-GOSISDBHSA-N 434.378 5.539 30 10 IKEE CC(C)Oc1ccc([C@@H](n2nc(C3CCC3)c(C#N)c2Br)C(C)(C)C)cc1 2080125323 FHHHVEFUUBWCPN-HXUWFJFHSA-N 430.390 6.207 30 10 IKEE Fc1ccc(-c2c(C(F)(F)F)nn3c(Cl)c4c(nc23)CSC4)cc1C(F)(F)F 2081279760 MRGBRRGKSATZSJ-UHFFFAOYSA-N 441.759 5.973 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)[C@@H]1[C@@H]2CCC(F)(F)[C@H]21 2119358274 GMWIFQPVNCMAGA-BJKJVOPESA-N 427.289 5.374 30 10 IKEE CCCCCCCC[C@H](NCCC)c1csc(Br)c1Br 2150371447 GUSYPHJIZGUGSN-AWEZNQCLSA-N 425.274 7.064 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)C[C@H]2CCCC[C@@]2(C)C1 2154234312 OWNNQFDYJSNPKZ-URZJWIJPSA-N 433.390 6.443 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H](Nc2ccc(C#N)cc2Br)CC12CCCCC2 2155303283 BUNJQLDANUJIPA-INIZCTEOSA-N 434.378 5.445 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@H]2Nc2ccc(C#N)cc2Br)C1 2156237764 XMFZLGXKVSUQGY-NQIIRXRSSA-N 434.378 5.302 30 10 IKEE Cc1ccc(C[C@](C)(C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)cc1 2159882778 OVNBNVVKWXBALG-JOCHJYFZSA-N 429.358 6.024 30 10 IKEE Cc1cc(Br)c(N=C2N[C@H](C(F)(F)F)[C@H](C)S2)c(Br)c1 2195313152 CYUUKTSXTSXBPZ-WKEGUHRASA-N 432.103 5.163 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1Cc2ccc(Nc3ccc(C#N)c(Br)c3)cc2C1 2234127732 ZFVCRHGWUPXVJV-GOSISDBHSA-N 428.330 5.056 30 10 IKEE CCc1ccc(NC(=O)OC(C)(C)C)c([C@@H](O)C#Cc2ccccc2Br)c1 2235741644 VCACSRCVPBMNNE-FQEVSTJZSA-N 430.342 5.444 30 10 IKEE C=CCCC1([C@@H](N)Cc2ccc(Cl)cc2Br)CN(C(=O)OC(C)(C)C)C1 2266306109 UIYATDPPNIEVBT-KRWDZBQOSA-N 443.813 5.176 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Br)cc(C(C)C)c1 2280707825 CZRUNAKYISRYCH-PMACEKPBSA-N 439.438 6.083 30 10 IKEE CC1(C)OB(c2cc(C(=O)Nc3ccc(Cl)cc3Cl)sc2Cl)OC1(C)C 2282615390 ORYALXXUEUTOPL-UHFFFAOYSA-N 432.565 5.260 30 10 IKEE C=CCC1(COc2cc(Br)c(F)cc2N)CCN(C(=O)OC(C)(C)C)CC1 2287840391 IKCXUWICPHSGAD-UHFFFAOYSA-N 443.357 5.143 30 10 IKEE O=C(C=Cc1ccccc1)C[C@@]1(O)C(=O)N(Cc2cccc3ccccc23)c2ccccc21 2294359364 FQTBATMWPPXGOH-LJAQVGFWSA-N 433.507 5.247 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)C(C)(C)[C@@H](CC)NC(=O)OC(C)(C)C 2296275251 YVMOFQMCNRUESE-RTBURBONSA-N 437.422 5.108 30 10 IKEE CN[C@H](C#Cc1ccc(Br)cc1)C[C@@H](CC(C)(C)C)NC(=O)OC(C)(C)C 2296294152 QRCVBNQRCPFDOE-MOPGFXCFSA-N 437.422 5.108 30 10 IKEE COc1ccc(C(=O)Oc2ccc(F)cc2C(=O)C=Cc2ccccc2Cl)cc1OC 2296761451 GKRICMIIILGUKA-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE CCCC1=NN(c2nc3ccccc3s2)C(=O)[C@H]1C(C)=Nc1ccc(C(=O)OCC)cc1 2297741403 FWMNUXWEMLYVRS-NRFANRHFSA-N 448.548 5.385 30 10 IKEE C=C1C[C@H]1[C@@H](NCCC)c1sc(Br)c(Br)c1Br 2302837385 UZYQOEOOZFNTIL-GMSGAONNSA-N 444.030 5.652 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@H]2CC[C@H]1C[C@@]2(C)NC(=O)OC(C)(C)C 2307593642 TVFNFGYZUMYFDJ-GRJZNYKUSA-N 435.609 5.245 30 10 IKEE CCOc1cc(C=C2SC(=Nc3cccc(Cl)c3Cl)NC2=O)ccc1OCC#N 2313541428 HHOPHKVLRIMZFJ-UHFFFAOYSA-N 448.331 5.186 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)c4ccc(Br)cc4)ccc3C2=O)cc1 2314438454 SZFQRSXFMXSQJN-UHFFFAOYSA-N 449.300 5.635 30 10 IKEE CC#CCN(C[C@@H](NCC)c1sc(C)c(Br)c1C)C(=O)OC(C)(C)C 2316104314 WFEUFRBQFVTKMI-OAHLLOKOSA-N 429.424 5.038 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(CC)n2N=Cc2cccc3ccccc23)cc1 2320956324 OKYYGFDDRYYMDO-UHFFFAOYSA-N 443.576 5.169 30 10 IKEE C[C@@H]1[C@@H](C)[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)CCN1C(=O)OC(C)(C)C 2321320091 GLUAJQIQAFQCLC-HOZJOUCCSA-N 447.551 5.495 30 10 IKEE CCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1cc2ccccc2n1C 2321817106 FOKNZACZIMRTRI-UHFFFAOYSA-N 445.636 6.194 30 10 IKEE COc1ccccc1CN1COc2cc(C)c3c(c2C1)OC(=Cc1cccc(F)c1)C3=O 2321993632 HKCOTWNEDPPIJW-UHFFFAOYSA-N 431.463 5.111 30 10 IKEE CCc1ccc([C@H](C)N2COc3ccc4c(c3C2)OC(=Cc2ccc(F)cc2)C4=O)cc1 2322259912 FYYDAHWHLMMJTR-KRWDZBQOSA-N 429.491 5.917 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc3ccccc3c2)c1OCCc1ccccc1 2322321631 HARSDMWUBSLSHE-UHFFFAOYSA-N 442.942 7.019 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Br)ccc2OCc2ccccc2F)cc1 2322353492 JCMJVNLJODTWDA-UHFFFAOYSA-N 439.324 6.626 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(C)cc2C)c1OCc1ccc(Cl)cc1 2322572769 GPFPFEQULCILGR-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE O=c1c(Cl)c(NN=Cc2ccc(Cl)c(Cl)c2)cnn1-c1ccccc1Cl 2322624143 ZBSSVOKAPRJDGT-UHFFFAOYSA-N 428.106 5.292 30 10 IKEE Cc1c(OC(=O)c2ccc(C(C)(C)C)cc2)ccc2c1OC(=Cc1ccc(F)cc1)C2=O 2322736703 HXACUPYAABHVBZ-UHFFFAOYSA-N 430.475 6.267 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 2322737822 WYJVGCSJHUCKDB-UHFFFAOYSA-N 435.907 6.847 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2c(C)cc(C)cc2C)c1OCc1cccc(C)c1 2322948922 TYKINAHUUVMOFN-UHFFFAOYSA-N 434.963 7.057 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC)c(OCc3cc(C)ccc3C)c2)cc1 2323076142 ZDTVZOUKWZEACM-UHFFFAOYSA-N 428.572 7.130 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1 2323992498 DBOCSEDCQWRZHV-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE CCCOc1c(Br)cc(C=CC(=O)c2cc(C)ccc2OC)cc1OCC 2324010045 RIZAQHDWPNXZMI-UHFFFAOYSA-N 433.342 5.850 30 10 IKEE C[C@@H]1C[C@@H](C)CN(Cc2c(O)ccc3c2OC(=Cc2ccccc2OC(F)F)C3=O)C1 2324055205 REBUDMNXPJYNKG-HUUCEWRRSA-N 429.463 5.088 30 10 IKEE COc1ccc(C=C2Oc3cc(OCCOc4ccccc4)cc(C)c3C2=O)c(OC)c1 2324220565 ZBLSGMVCZNDCMJ-UHFFFAOYSA-N 432.472 5.086 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(OC)c1 2324463817 JUQBTGQPCIKUCL-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCc3cccc(C)c3)c(OC)c2)c(OCC)c1 2324498925 DSPXFMWGJKNZDE-UHFFFAOYSA-N 446.543 6.276 30 10 IKEE Cc1cccc(OCCCOc2ccc3c(c2C)OC(=Cc2cccc(Cl)c2)C3=O)c1 2324567727 RNBCUKXHPORMPM-UHFFFAOYSA-N 434.919 6.421 30 10 IKEE COc1ccc(C=C2Oc3cc(OCCCCOc4cccc(C)c4)ccc3C2=O)cc1 2324567954 PTKIPFQJEHNSQL-UHFFFAOYSA-N 430.500 5.858 30 10 IKEE COc1c(Cl)cc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(F)cc3)n2)cc1Cl 2324803812 FHZPJLHMOUZCSX-OAHLLOKOSA-N 447.318 6.154 30 10 IKEE CC[C@@H](Oc1ccc2c(c1)OC(=Cc1ccccc1)C2=O)C(=O)Nc1cc(Cl)ccc1C 2324837606 DEOIFLMIXMTLMA-JOCHJYFZSA-N 447.918 6.061 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O 2325092715 XDSFGJUVJNHAHH-HSZRJFAPSA-N 434.532 6.140 30 10 IKEE Cc1ccc(NC(=O)CCOc2ccc3c(c2C)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2325231858 HHKOPXPXHDASBB-UHFFFAOYSA-N 447.918 5.981 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1N=Cc1cccc(OC)c1OCC 2325512784 SVTSESGQOZVRSX-UHFFFAOYSA-N 438.597 5.511 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(O)c(OCC)c1 2325513164 MVXOXGZILWPZSA-UHFFFAOYSA-N 428.533 5.039 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1OC(=O)c1ccc(F)cc1 2325708063 ISEQEQICVUWKPH-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccccc3Cl)cc(C)c2C1=O 2325718346 CRQRCSBIJVSJCF-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1OC(=O)c1ccc(F)c(F)c1 2325725377 VSGCQKOYTSNYDC-UHFFFAOYSA-N 430.353 5.367 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OC(=O)c1cccc([N+](=O)[O-])c1 2325740109 YGQUKPQBNKPFIX-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2cc(C)ccc2C)cc1OC(=O)CC(C)C 2325740246 WAXOZZXGXHJUBM-UHFFFAOYSA-N 445.353 5.922 30 10 IKEE CCCCCCCCC(=O)Oc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OC 2325749462 GFJOTNOTKRSGCY-UHFFFAOYSA-N 444.571 7.401 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1c(F)cccc1Cl 2326681510 IBGWNMLSHVVVQL-UHFFFAOYSA-N 427.936 5.459 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(Cl)cc3)n2N=Cc2cccc(O)c2)c1 2329082299 CJFDMZDGCZRSOE-UHFFFAOYSA-N 448.979 5.711 30 10 IKEE Cc1ccc(O)c(C=Nn2c(CCOc3ccccc3)nnc2SCc2ccccc2)c1 2329189981 KWNRGTQEMQNSSJ-UHFFFAOYSA-N 444.560 5.088 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OC)cc2)n1N=Cc1cccc2ccccc12 2329272006 GRPLXUWXKQRODF-UHFFFAOYSA-N 428.561 5.581 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2ccc(F)cc2)nnc1-c1ccccc1Cl 2329539977 YROBXSXFTRQUHT-UHFFFAOYSA-N 436.943 6.221 30 10 IKEE COc1ccc(C=Nn2c(SCCc3ccccc3)nnc2-c2ccccc2Cl)cc1 2329587259 MBECVGCMBRSSPS-UHFFFAOYSA-N 448.979 5.824 30 10 IKEE Fc1ccc(CSc2nnc(Cc3ccccc3F)n2N=Cc2cccs2)cc1 2329712889 HXXPTBGLAGTJIZ-UHFFFAOYSA-N 426.517 5.383 30 10 IKEE Cc1cccc(C=Nn2c(SCc3ccc(F)cc3)nnc2[C@H](C)c2ccccc2)c1 2330063995 OXQBSZQVQSWZEO-LJQANCHMSA-N 430.552 6.052 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1Br 2330627893 LFJNCKGVWTUHRN-UHFFFAOYSA-N 432.270 5.349 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccc(F)cc3)nnc2-c2ccccc2)c1OC 2330639819 FVXWZKHVSMBZTK-UHFFFAOYSA-N 448.523 5.276 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(Cl)c1OC(=O)[C@H]1CCCO1 2330676935 XYFGKIHNFCYZQL-JOCHJYFZSA-N 440.923 5.208 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3cc(Cl)ccc3Cl)cc2)c1 2330777029 DDGQWKLDYCHMRO-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE Cc1ccccc1CSc1nnc(CC(C)(C)C)n1N=Cc1ccc(Cl)c(Cl)c1 2330808858 ZNSVLNKCVDBZCX-UHFFFAOYSA-N 447.435 6.656 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3ccco3)c(OC)c2)cc1 2330824285 XWFFGKCJTLHMCP-UHFFFAOYSA-N 438.907 6.400 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccc(C)c(C)c3)cc2)cc1 2330824567 NNKNDLDAWNASGZ-UHFFFAOYSA-N 442.555 6.527 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)ccc1OC(=O)c1c(F)cccc1Cl 2330950719 WKFRKFPMSWZHEA-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE Fc1cccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C2CCCC2)c1 2331081402 YGXADSYEGSPZJL-UHFFFAOYSA-N 449.382 6.556 30 10 IKEE Oc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CCCC2)cc1O 2331086993 QIJVTCCZBIGHHE-UHFFFAOYSA-N 428.945 5.175 30 10 IKEE Fc1ccccc1CSc1nnc(-c2ccco2)n1N=Cc1ccc(Cl)c(Cl)c1 2331208245 AQLJWURAMRKUJC-UHFFFAOYSA-N 447.322 6.159 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)C1CCCC1 2331248876 YQSVIIHUGDTSDR-UHFFFAOYSA-N 433.331 6.384 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccc(C)cc1 2331251203 JHPCBMFLAJPWNB-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1ccc(Cl)cc1 2331319803 NEGWSKMNRKZSFV-UHFFFAOYSA-N 445.951 5.026 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)c(C)c3)c([N+](=O)[O-])c2)c1 2331322510 GCENEYSYNPPRBW-UHFFFAOYSA-N 443.499 5.873 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3OC)cc2)cc1 2331352378 OLNOITVIVRRRFF-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2cc(C)ccc2C)nnc1C(C)(C)C 2331396651 ZSFKXACBCAROFV-UHFFFAOYSA-N 434.609 5.932 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc(Cl)ccc3OC)cc2)cc1F 2331451025 DKDVFLJUSUWTEK-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1cc(Cl)ccc1O 2331667868 HPVYUPSNOZPCNA-UHFFFAOYSA-N 439.343 5.557 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)c3ccccc3)c(OC)c2)c1 2331685384 FMOOHLWISMULEI-UHFFFAOYSA-N 446.499 5.608 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(Cl)c2)cc(OC)c1OC(=O)CC(C)C 2331834919 ZNFKDSGPCAZOCN-UHFFFAOYSA-N 442.939 5.933 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)c1c(C)c(C)c(Br)c(C)c1C 2345947143 UMCDWQQQLXJCLZ-VQIMIIECSA-N 426.395 5.576 30 10 IKEE N#Cc1ccc(NCc2cc(I)ccc2Cl)cc1Br 2352435960 MXZIJPXRXSPIKQ-UHFFFAOYSA-N 447.501 5.191 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1cc(Br)cc(OC2CC2)c1 2362724520 KKGNLVUCRPYHHX-OALUTQOASA-N 439.394 5.110 30 10 IKEE CC(C)(C)OC(=O)N[C@@]1(C)C[C@H]2CC[C@H]1C[C@@H]2Nc1cc(Br)ccc1C#N 2380857574 XAHJMSKONZNARF-VZBFBVBPSA-N 434.378 5.205 30 10 IKEE CC/N=C1/S/C(=C/c2cn(CCOc3ccccc3F)c3ccccc23)C(=O)N1CC 5945246 RMTUHCAVCPTPNJ-UMUYUUQJSA-N 437.540 5.172 30 10 IKEE N#Cc1cnn(-c2ccc3ccccc3n2)c1NC(=O)CC(c1ccccc1)c1ccccc1 12239169 BYPCZTCMBASMGK-UHFFFAOYSA-N 443.510 5.453 30 10 IKEE Cc1ccc(C2=NN(c3ccc(/C=N/c4ccc(C)cc4C)cc3)[C@@H](c3ccccc3)C2)cc1 15772858 GRDBKGLYZHAZDA-LDXSREFCSA-N 443.594 7.718 30 10 IKEE O=C(COc1ccccc1)Nc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1 18051048 LMKFUERAOMKNRF-OVCLIPMQSA-N 436.305 5.363 30 10 IKEE CCCCCSc1nc2n(n1)[C@H](c1ccccc1OC)C1=C(CC(C)(C)CC1=O)N2 20850342 GOYXPUDPZNLWIK-HXUWFJFHSA-N 426.586 5.227 30 10 IKEE CCOc1cc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(CC)cc2)C3)cc(Cl)c1O 20884500 YQJZGAQVMFIELZ-AEFFLSMTSA-N 439.939 5.011 30 10 IKEE C=CCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2[C@H]1c1ccc(OCC(C)C)c(OC)c1 38594465 BYABTUYORWSMHO-XMMPIXPASA-N 447.531 5.184 30 10 IKEE C=CCOc1cccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccccc2)c1 39876733 DBAGTOWZAZXWJH-HSZRJFAPSA-N 427.431 5.247 30 10 IKEE CCCCCCCC(=O)NC(=S)Nc1cccc(C(=O)N[C@@H](C)c2ccccc2)c1 59854536 NZFZOVLIZPCLQF-SFHVURJKSA-N 425.598 5.351 30 10 IKEE C=C(C)COc1ccccc1NCC(=O)Nc1ccc(OCCCc2ccccc2)cc1 66062837 DCOLLHVIPPVQOJ-UHFFFAOYSA-N 430.548 5.704 30 10 IKEE C=CCOc1ccc(/C=C2/C(=O)N(c3ccc(C)c(C)c3)C(C)=C2C(=O)OCC)cc1OC 100208090 XAZKCCIPBRQRHW-PXLXIMEGSA-N 447.531 5.144 30 10 IKEE CCCCCCCOc1cccc(NC(=O)c2cc(Br)ccc2OCCC)c1 100246425 FLZIDGNXNKRAHR-UHFFFAOYSA-N 448.401 6.839 30 10 IKEE O=C(Nc1ccccc1F)[C@@H]1CC(=O)N(CCc2ccccc2)/C(=N/c2ccccc2)S1 100411217 SSIPOBYVWZJWFL-YMVPSHTBSA-N 447.535 5.029 30 10 IKEE CCCCC/C=C/C/C=C\CCCCCCCC(=O)OCCCCCCCCCCCC 101259401 YEVRRNZSZWIYCX-RFNBVWSRSA-N 448.776 10.264 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2)S/C(=N/N=C\c2cccs2)N1Cc1ccco1 101916895 MUGUXGVPZXRJBH-RKXHSEMDSA-N 427.938 5.501 30 10 IKEE CCCCCCCn1c([C@H](C)NC(=O)Cc2ccc(OC)c(OC)c2)nc2ccccc21 102131855 YQCKRYATWATMPD-IBGZPJMESA-N 437.584 5.444 30 10 IKEE CCCCCCCC(=O)N[C@H](C(=O)Nc1nnc(-c2ccc(OC)cc2)s1)[C@@H](C)CC 102992748 VMKWGLNLSUTWAM-JXFKEZNVSA-N 446.617 5.044 30 10 IKEE CC(C)(C)[C@@H](CS)COc1c(Br)cc([N+](=O)[O-])cc1Br 125220917 LMSAHOFJDYMXSM-MRVPVSSYSA-N 427.158 5.091 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2cccc(C)c2C)c1 169933582 HLJJUCYLXWYHCN-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc(F)cc2)=C(O)C(=O)N1c1cc(C)cc(C)c1 169941191 RQWYUWARLVUHJQ-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE COc1cc(Br)cc(/C=N\Nc2nc(-c3ccc(F)cc3)cs2)c1OC 169941894 MLTRXZFLHJDHRZ-NKVSQWTQSA-N 436.306 5.175 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2cccc(C)c2)cc1 169970220 RSGUWACMOPZDID-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(O)c(Cl)c2)cc1C 170040753 FZZBUJSKIVFIMJ-JOCHJYFZSA-N 433.891 5.445 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccc(C)o2)cc1 170101268 OEKNTYKQZPXWGM-HSZRJFAPSA-N 442.471 5.251 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@@H]1c1cccs1 170158233 SAWZJLYOYLDWOK-OAQYLSRUSA-N 437.492 5.296 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccccn2)cc1 170172462 XYHIJQIKLNRNHG-DEOSSOPVSA-N 442.515 5.270 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccccn1)c1ccc2ccccc2c1 170174037 BJEXRYIJIRKMRQ-HSZRJFAPSA-N 440.886 5.671 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccn1 170174762 XFDMWAHNPVRBFU-XMMPIXPASA-N 436.467 5.026 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(OCC)cc1 170213739 JYGDGQVYEHYQTA-DEOSSOPVSA-N 429.516 5.617 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@H]1c1cccc2ccccc12 170220692 UCUZJVXWHRMTAD-HSZRJFAPSA-N 449.934 5.880 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2cccc3ccccc23)cc1C 170221205 ASACSCXHTNDVGW-RUZDIDTESA-N 443.543 5.925 30 10 IKEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(Cl)c4)[C@H]3c3ccccc3)ccc2O1 170226974 PKEGWHVYNNDNRN-CMJOXMDJSA-N 445.902 5.446 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1ccccc1 170228880 KSSWCBSXCYLUQD-VWLOTQADSA-N 439.555 6.384 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(Cl)c(Cl)c1)c1ccco1 170379994 VZYZRLHIWORENB-SFHVURJKSA-N 432.234 5.508 30 10 IKEE CCOc1cc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C)c(C)c2)ccc1OC 170440101 DSMULZZNQPGOQI-QHCPKHFHSA-N 447.487 5.087 30 10 IKEE CC(C)COC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]2c2cccs2)cc1 170476688 PKQWFPMYCLOTSH-NRFANRHFSA-N 441.549 5.076 30 10 IKEE Brc1cccc(C=NNc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c1 252593478 BKGCJBMQNKPMLM-UHFFFAOYSA-N 430.309 5.414 30 10 IKEE CCCN1C(=O)/C(=C\c2cccc(OCC)c2O)SC1=Nc1ccc(OCC)cc1 252641483 ZDCKDNINEZLETI-GVFZAWILSA-N 426.538 5.204 30 10 IKEE C=CCn1c(SCc2ccc(Br)cc2)nnc1C12CC3CC(CC(C3)C1)C2 253568858 LSSQPADLOTVPTG-UHFFFAOYSA-N 444.442 5.987 30 10 IKEE CCC(C)(C)[C@@H]1CCc2sc3ncnc(NN=Cc4ccc(C(=O)OC)cc4)c3c2C1 254391573 KGDVACCFUJRFCB-QGZVFWFLSA-N 436.581 5.465 30 10 IKEE CCCCCOc1ccc(C=NN2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 254876490 NRDBJDKPOMYMQR-UHFFFAOYSA-N 439.603 5.977 30 10 IKEE CCCN1C(=O)/C(=C/c2ccc(OCC)cc2OCC)SC1=Nc1ccc(OC)cc1 263631647 GCOMRJCXIGJCTA-IBORXNHRSA-N 440.565 5.507 30 10 IKEE CCOc1cccc([C@@H]2C(c3cccc(OC)c3)=C(O)C(=O)N2c2cccc(C#N)c2)c1 526516170 NOFXWTIIXGJVKT-XMMPIXPASA-N 426.472 5.023 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(F)cc2)cc1 526604969 RNLBGMMMIUOHAS-DEOSSOPVSA-N 428.463 5.543 30 10 IKEE CC(=O)Oc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Cl)cc2)cc1 526743583 BCOOOZASJNSFQV-JOCHJYFZSA-N 447.874 5.048 30 10 IKEE Cc1nnc(SCc2ccccc2)n1/N=C\c1ccc(OCc2ccccc2)c(Cl)c1 526799007 DOVOHSWYHUIFDU-YSMPRRRNSA-N 448.979 5.993 30 10 IKEE CCOc1cc(/C=N\n2c(C)nnc2SCc2ccc(C(C)(C)C)cc2)ccc1OC 526805221 GZHJVMZODRRNKX-MYYYXRDXSA-N 438.597 5.466 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@H](C#N)c1cc(Cl)c2c(c1)OCCCO2 698373731 KEJYEHQNFHWCCG-IBGZPJMESA-N 428.916 5.503 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)C(C)(C)C1 698423540 HLTKCVYNMAWKGJ-VWLOTQADSA-N 443.588 5.808 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCC[C@H](C(F)(F)F)C1 698491649 ZUWVOATXCRGKGA-SCLBCKFNSA-N 447.295 6.205 30 10 IKEE Cn1cc(/C=C2/C[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]3(C)C2=O)c(-c2ccccc2)n1 1614437867 ZWJGCLYWSNNVLL-HHEHENECSA-N 438.571 5.911 30 10 IKEE C=CCCCn1c(C2CCCC2)nnc1N1CCC(Nc2cc(OC)cc(OC)c2)CC1 1705817743 RCPMQKBCGUKETM-UHFFFAOYSA-N 439.604 5.000 30 10 IKEE CN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC1=Nc1cccnc1 1772730559 BVDLAWBLXVLLRK-PEODKBGFSA-N 435.936 5.548 30 10 IKEE CCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=Nc1nc(-c2ccccc2)cs1 1772734970 FYDBAELMJGRYIR-OKZFSLEBSA-N 436.518 5.342 30 10 IKEE C=CCN1C(=O)/C(=C\C(Cl)=C\c2ccccc2)SC1=Nc1ccc(C(=O)O)c(O)c1 1772760939 JAIVANUZWQTNGR-FLUFCAFESA-N 440.908 5.003 30 10 IKEE N#Cc1ccc(NC(=O)c2cc(-c3cccc4ccccc34)n(Cc3ccccc3)n2)cc1 1859391956 UIXPWVCTLUWEPY-UHFFFAOYSA-N 428.495 5.876 30 10 IKEE CC(C)SCc1ccc(C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)o1 1859760915 ODPNTFSHLNCSBH-UHFFFAOYSA-N 442.540 6.972 30 10 IKEE N#Cc1cccc(C(=O)N2CC=C(c3ccc(OC(=O)CC4CCCCC4)cc3)CC2)c1 1860684277 CPGYKDGTIQIDDM-UHFFFAOYSA-N 428.532 5.364 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cccs1 1861320644 HOTSYBFBKKUXDC-OAQYLSRUSA-N 432.605 5.485 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C2CC2)c1 1862384103 OXMXGXZUUKDUJR-LJQANCHMSA-N 432.303 5.133 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CC)cc1 1862388416 INRRNSWQSYBYAN-FQEVSTJZSA-N 447.362 5.438 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 1862398437 XYSYASPEZUOACR-VWLOTQADSA-N 447.619 6.705 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(C(F)(F)F)cc1 1862415641 CALFDWFULAFPJF-SFHVURJKSA-N 439.380 5.362 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@H]2c2cccc(F)c2)cc1 1862430896 VGBJMKITNCJUGO-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccc(F)cc1F)c1ccccc1Cl 1862432310 BONULUPAGXAPOQ-NRFANRHFSA-N 445.893 5.919 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(F)cc1F)c1cccc(Cl)c1 1862446500 UKHRWZBLKGUMSK-FQEVSTJZSA-N 431.866 5.529 30 10 IKEE COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)ccc1O 1862480752 NWGLCFZNFKUCMP-BXKMTCNYSA-N 443.499 5.049 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(OC)c(OC)c1 1862495564 PBODZIZWQAJTIY-HSZRJFAPSA-N 437.536 5.089 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@@H]2c2ccccc2)ccc1F 1862500414 FDASTYKXICYKTB-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2cccc(F)c2)c1 1862501944 OAPVVKRWPYWPGK-DEOSSOPVSA-N 447.481 5.669 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(O)cc1 1862507632 QDAKFOFHRMFJIC-AUSIDOKSSA-N 439.527 5.777 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)cc1 1862529007 AWEPAFYFGMJVRC-QHCPKHFHSA-N 449.909 5.820 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(F)cc2F)cc1 1862532163 BKBAKBAJYPHXGW-QFIPXVFZSA-N 425.475 5.438 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2ccccc2Cl)c1 1862561727 XKSIOEXNHZERFQ-QHCPKHFHSA-N 446.934 5.318 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2Cc2ccncc2)c1 1862612980 CFNNWOOWBIRSIV-DEOSSOPVSA-N 440.543 5.466 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccccc2)cc1 1862615934 QKRFRXSEJATCNL-RUZDIDTESA-N 445.603 6.675 30 10 IKEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccccc1 1862616561 UKXQNVMMWLXQRA-DEOSSOPVSA-N 448.607 5.294 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(C(C)(C)C)cc1 1862654379 ZOZCJJGLEOYYQK-BVZFJXPGSA-N 441.571 6.514 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C2CC2)cc1 1862659242 ZZZPWBIRIDJTCB-RUZDIDTESA-N 440.543 5.427 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(C(C)C)cc2)=C(O)C(=O)N1C1CCCCCC1 1862660117 HZVKEMXOIFFSER-VWLOTQADSA-N 431.576 6.420 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(Cl)cc1 1862726155 ZSYOBRFICBEGKB-XDHUDOTRSA-N 445.946 6.384 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862728195 WAKPAGPOBRLPQG-QHCPKHFHSA-N 442.471 5.249 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2C2CCCC2)cc1 1862757496 ZAYGRUYHKVXOJX-QFIPXVFZSA-N 448.519 5.413 30 10 IKEE Cc1ccc(NC2=C(c3ccccc3Cl)C(=O)N(c3ccc(C#N)cc3)C2=O)c(C)c1 1863077483 PKZWGIQASJACTI-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(Nc3cccc(C#N)c3)=C(c3cccs3)C2=O)cc1 1863477491 CEMMUYAGOWUZAE-INIZCTEOSA-N 427.529 5.135 30 10 IKEE C=CCOc1ccccc1/C=C1/C(=O)N(Cc2cccc(F)c2)N=C1c1ccc(OC)cc1 1865666421 KJOBKKPKSHGEMH-JJIBRWJFSA-N 442.490 5.229 30 10 IKEE CCC[C@H](NC(=O)[C@@H](c1ccc(Cl)cc1)C1CCCC1)C(=O)Nc1cccc(C#N)c1 1867005504 LYXBEFCSRYSIGN-XZOQPEGZSA-N 437.971 5.409 30 10 IKEE COc1cc2c(cc1OC)[C@H](C(C)C)N(c1cc(Nc3ccc(C#N)cc3)nc(C)n1)CC2 1868496937 PHXVLBJGBYOMOY-SANMLTNESA-N 443.551 5.177 30 10 IKEE C=CCn1cc(OCC(=O)Nc2ccccc2C(C)C)c(=O)cc1CSC(C)(C)C 1870204927 CSYIPAYSJSKMOM-UHFFFAOYSA-N 428.598 5.207 30 10 IKEE Cc1cccc(Cn2cc(OCc3ccc(C#N)cc3)c(=O)cc2CN2CCCCCC2)c1 1870348158 LQQQZXAKKQKAQF-UHFFFAOYSA-N 441.575 5.032 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)N[C@H](C)CC)c(=O)cc1CN(CC)CC 1870533006 WQFGSOLSDQOQHD-JOCHJYFZSA-N 449.680 5.124 30 10 IKEE C=CCOc1cn(Cc2ccccc2C)c(CNc2ccc(OCC)c(OCC)c2)cc1=O 1870809435 CEVHTVMLIJYJKZ-UHFFFAOYSA-N 448.563 5.179 30 10 IKEE CCCCCCCOc1cn(CCCN(C)C)c(CNc2ccc(C(C)C)cc2)cc1=O 1870837656 RBGIUZPXGJPMNL-UHFFFAOYSA-N 441.660 5.885 30 10 IKEE C=CCn1cc(OCC(=O)OCCCCC)c(=O)cc1CNc1ccc(CCCC)cc1 1870844341 MQAKJMPYYJDYJS-UHFFFAOYSA-N 440.584 5.101 30 10 IKEE CCCCCCCCn1cc(OCC(C)C)c(=O)cc1CNc1cc(OC)cc(OC)c1 1870858167 XBHKOGMBDDMQBZ-UHFFFAOYSA-N 444.616 5.873 30 10 IKEE CCCCCCCCn1cc(OCCC(=O)OCC)c(=O)cc1CNc1ccc(F)cc1 1870878491 RDVCSNKONSKNQA-UHFFFAOYSA-N 446.563 5.292 30 10 IKEE CCCCCCCCCCn1cc(OCCCO)c(=O)cc1CNc1ccccc1C 1871265648 QMJGHZVBEGLWKH-UHFFFAOYSA-N 428.617 5.671 30 10 IKEE CCc1ccc([C@@H](C)N2COc3c(cc4c(c3C)O/C(=C\c3ccc(C)o3)C4=O)C2)cc1 1871359952 LYGXBIZHSHDESA-WTZXFZKGSA-N 429.516 5.988 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O 1871377837 GONBRNQRHHAYNQ-MTJSOVHGSA-N 441.321 5.941 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCCOc4ccccc4)cc(C)c3C2=O)c1OC 1871396974 BDCDQTJRNZSEOR-HAHDFKILSA-N 432.472 5.086 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCCCOc4ccc(Cl)cc4)ccc3C2=O)c1 1871405756 OXJURBOUJDTFPW-IWIPYMOSSA-N 436.891 5.813 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(O[C@@H](C)C(=O)Nc3ccc(C)cc3)ccc2C1=O 1871406962 KOUDEMGJZYQRST-PDESAOGPSA-N 429.472 5.026 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccc(F)cc2)C3=O)c(C)c1 1871414358 TWDLDACWMBYSKK-YNJLWJOVSA-N 445.490 5.773 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccccc1CC)S(=O)(=O)c1cc(C)ccc1C 1872473391 PUCJOHYZFHNKLA-QHCPKHFHSA-N 442.625 5.240 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(F)cc1 1872505400 SERCAIAVJRRAEF-HSZRJFAPSA-N 446.588 5.063 30 10 IKEE N#C[C@@H](C(=O)c1cccc2ccccc12)c1nc(-c2cccc(Br)c2)cs1 1872763496 NLGKEKSBISOZKO-IBGZPJMESA-N 433.330 6.216 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3cccc([N+](=O)[O-])c3)n2)cc1 1872770335 QGBUKMRYXBXKEW-OJWOGGGRSA-N 433.489 5.397 30 10 IKEE Cc1ccccc1OCCCC(=O)[C@@H](C#N)c1nc(-c2c(C)c(C)cc(C)c2C)cs1 1872780328 FTZSENTVWWXDFZ-OAQYLSRUSA-N 432.589 6.388 30 10 IKEE COc1c(Cl)cc(-c2csc([C@H](C#N)C(=O)c3ccnc(Cl)c3)n2)cc1Cl 1872785794 WCTGNUNTLWZAGL-LLVKDONJSA-N 438.723 5.664 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)CCCOc3ccccc3C)n2)cc1C 1872787692 PJYODGLYJRUGHV-FQEVSTJZSA-N 434.561 5.779 30 10 IKEE C=CCc1ccccc1OCc1ccc(C(=O)Nc2ccc(CC(=O)OCC)cc2)cc1 1872859527 UZVHBRJVIKOHGY-UHFFFAOYSA-N 429.516 5.352 30 10 IKEE N#Cc1ccccc1NC1=C(c2cccc(Cl)c2Cl)C(=O)N(C2CCCCC2)C1=O 1873337707 LUDNHEPMPOCWRH-UHFFFAOYSA-N 440.330 5.390 30 10 IKEE C=CCN(CC=C)c1nc(Nc2cccc3ccccc23)c2cnn(-c3ccccc3)c2n1 1873481777 PBGYXJFNNHMJKR-UHFFFAOYSA-N 432.531 5.891 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(OCCCC)cc2)cc2c(N(C)CCCC)ncnc21 1873665151 KLLRTJIYLNNZFP-UHFFFAOYSA-N 435.572 5.285 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC)Oc1ccc2c3c(c(=O)oc2c1)CCCC3 1873935560 VIJFAHKRNKENSQ-DEOSSOPVSA-N 441.612 6.086 30 10 IKEE CCCCCCCCCCNC(=O)Cc1csc(-c2ccc(OC(F)(F)F)cc2)n1 1873936208 AZGKAUDRMYNRLX-UHFFFAOYSA-N 442.547 6.508 30 10 IKEE C=CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1cn(C)c2ccccc12 1874244961 RPDBETIOFLSAKK-JVWAILMASA-N 445.636 5.689 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1ccccc1OC(C)C 1874287652 PSAVKPISMONHSX-NLRVBDNBSA-N 440.657 6.690 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2)n1/N=C/c1cccc(OCC)c1 1874315955 UEMIWJNSSPICOD-KOEQRZSOSA-N 436.581 5.239 30 10 IKEE Cc1ccc(OCc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccco2)cc1C 1874319127 AWPUFANPWIULAR-DHRITJCHSA-N 436.512 5.381 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3F)n2/N=C/c2ccc[nH]2)c(C)c1 1874327486 QDOQCTAXQXEZPZ-LGJNPRDNSA-N 435.528 5.116 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3F)n2/N=C/c2cccn2C)cc1C 1874329695 AALMMYCFPRLXIL-JVWAILMASA-N 447.583 5.332 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2ccc(F)cc2)cc1C 1874358350 CEGVTBORUWENHI-MTDXEUNCSA-N 444.579 5.842 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccco1 1874361341 KNTBMLDUWNVKQN-BUVRLJJBSA-N 447.520 5.047 30 10 IKEE CSc1nnc(CCc2cccs2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874369955 ZZLAMWZAHURIBP-LFVJCYFKSA-N 434.590 5.308 30 10 IKEE CCCSc1nnc(COc2ccccc2)n1/N=C/c1ccc(Br)cc1 1874385706 DFIZITBOUVPZBP-FYJGNVAPSA-N 431.359 5.004 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2cccs2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874410749 JIBHQYVCHDXRTJ-OEAKJJBVSA-N 449.561 5.322 30 10 IKEE CCCOc1ccccc1/C=N/n1c(CC(C)C)nnc1SCc1cc(C)ccc1C 1874489618 AUQWBCJVPQEANV-WGOQTCKBSA-N 436.625 6.057 30 10 IKEE CCCOc1cccc(/C=N/n2c(CC(C)C)nnc2SCc2cc(C)ccc2C)c1 1874489740 IFBHIOIIVCZEAJ-WGOQTCKBSA-N 436.625 6.057 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2ccccc2Cl)cc1C 1874518026 XDQJCSGLNHQTEA-WYMPLXKRSA-N 439.972 5.039 30 10 IKEE CCN(CC)C(=O)COc1ccc(Br)cc1/C=C/C(=O)c1cc(C)ccc1C 1874580389 LHQULWAAOMAGOL-PKNBQFBNSA-N 444.369 5.209 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(C)c(C)c2)c1OCc1ccccc1Cl 1874588140 BYBSKLFAYSNKEI-ZHACJKMWSA-N 441.354 7.094 30 10 IKEE Cc1ccc(C(=O)/C=C/c2c(OCc3cccc(Cl)c3)ccc3ccccc23)cc1C 1874588555 SLRMCCXPALIQAV-BUHFOSPRSA-N 426.943 7.585 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2c(OCc3ccccc3C)ccc3ccccc23)cc1C 1874590700 HHOLBBQNZMVQJX-CCEZHUSRSA-N 436.551 7.249 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OCC(=O)Nc2c(C)cccc2C)c1 1874596983 NYRMLNGLAXBKKV-OUKQBFOZSA-N 429.516 5.534 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cccc(OCc2c(Cl)cccc2Cl)c1 1874599575 SWMBDWPLSHSSAZ-ZHACJKMWSA-N 441.354 7.094 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC)c(OCC)c2Br)c1 1874599656 XYSUKKBTILHCIZ-DHZHZOJOSA-N 449.341 5.550 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1cc(C)cc(C)c1 1874614388 OBSJYYNIGBXEOV-MDZDMXLPSA-N 449.934 5.879 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(Cl)c(Cl)c3)cc2)c1 1874615641 JAGZYMLDPLLJIX-KPKJPENVSA-N 440.326 6.215 30 10 IKEE CCCOc1ccc(/C=C/C(=O)c2cc(Cl)c(OC)cc2OC)cc1Br 1874630962 CVBFJONQZXQKCI-FNORWQNLSA-N 439.733 5.805 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1C 1874636852 VOMABAABPAHCGS-NKSQBSFPSA-N 443.543 5.464 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCc3cccc(OC)c3)c2)cc1 1874703272 HZMRIDFDFFNBIG-MHWRWJLKSA-N 444.527 5.918 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)CSc3ccccc3)c2)cc1C 1874717852 MREXEQZBCRMVAQ-OUKQBFOZSA-N 432.541 5.906 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccc(N(C)C)cc2)c1 1874718555 PJSDNRGXJZAQDN-NTUHNPAUSA-N 435.907 5.530 30 10 IKEE COCCOCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1Cl 1875104562 DAOMLLWAYDCUIS-QHHAFSJGSA-N 443.710 5.111 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccc(Cl)cc3)cc2)cc1 1875105834 OQXPSQBEPQSOAT-YBFXNURJSA-N 446.974 7.117 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3)c(OC)c2)cc1C 1875109133 XMWRJJZFYKGSGH-UKTHLTGXSA-N 430.500 5.447 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1Cl 1875120711 GPSKYLLXMQCQSU-IZZDOVSWSA-N 426.846 6.053 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)c1ccccc1 1875121787 HVVMYPIXRHMFBA-BUHFOSPRSA-N 432.903 6.192 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)c1ccc(F)cc1 1875123385 JMNLOKRAPFINTG-IZZDOVSWSA-N 440.854 5.612 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1ccccc1C 1875136637 TZBAHMDHRMCDMW-DTQAZKPQSA-N 426.512 6.156 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc4ccccc34)cc2OC)cc1 1875156399 YMNHTDHGXYJCQH-GHRIWEEISA-N 436.507 6.526 30 10 IKEE O=C(Cc1ccc(Cl)cc1)Oc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1Cl 1875161732 FDKYBRVBEMHTPD-YCRREMRBSA-N 447.264 6.316 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1)c1ccc(F)c(F)c1 1875161914 NLOCTRXZVUFESL-KGVSQERTSA-N 443.243 5.843 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)c1ccncc1 1875163573 RLISHDMVMREHPI-VMPITWQZSA-N 435.426 5.212 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1OC(=O)c1ccncc1 1875166180 ULSXSXUEOGNWKM-VOTSOKGWSA-N 449.934 6.093 30 10 IKEE CC1(C)OB([C@@]23C[C@H]2CCN(Cc2ccc(Cl)c(Br)c2)C3)OC1(C)C 1879791647 FAHFZMQPOJNJCB-AUUYWEPGSA-N 426.591 5.161 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]1(CCC)CCCN(C(=O)OC(C)(C)C)C1 1922067352 AWNDXNHCVUPECF-SQHAQQRYSA-N 444.660 5.945 30 10 IKEE CC1(C)CC[C@@](C#N)(Nc2cccc(Br)c2)[C@H](CNC(=O)OC(C)(C)C)C1 1927167431 TWVLQSNFHPEMBA-BTYIYWSLSA-N 436.394 5.474 30 10 IKEE CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(CC1CC1)C(=O)OC(C)(C)C 1944806527 NCCOGVCICCAFJX-DVECYGJZSA-N 435.609 5.199 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)C1(NC(=O)OC(C)(C)C)CCC(CC)CC1 2018520376 ZJHNKIJXLDMZCY-NHXWLTBQSA-N 430.633 5.601 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1ccc(I)c(C)c1 2026132911 NVDYISPIOXEWBM-OAQYLSRUSA-N 435.349 5.413 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCC[C@H]1CNC(=O)OC(C)(C)C 2032217806 SWAPUHJXBWIJKU-DFBJGRDBSA-N 443.588 5.714 30 10 IKEE CCN[C@@H](CC#CC1CCCCC1)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2035468091 HVUORYVKJMVFMJ-LOSJGSFVSA-N 442.644 5.439 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@]1(C#N)CN(Cc2ccccc2)C2(CCCCCC2)C1 2038913619 OOECIPPKXSIMAU-HHHXNRCGSA-N 439.644 6.141 30 10 IKEE Cc1ccc(S(=O)(=O)N=C(c2ccc(Cl)cc2)[C@@H](C#N)c2nc3ccccc3[nH]2)cc1 2040465574 WEDSNXWNOUSWQX-LJQANCHMSA-N 448.935 5.010 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@H](C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2077947686 KLEZGUAUHRZPPO-VQIMIIECSA-N 447.551 5.495 30 10 IKEE CC(C)(C)c1nn(Cc2ccc(F)cc2C(F)(F)F)c(C(F)(F)F)c1Br 2079137968 FKBVLABJFMKZFN-UHFFFAOYSA-N 447.192 6.168 30 10 IKEE CC[C@H](C)C[C@@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)NC(C)C 2086490058 GZYPEGMHYPQOHV-LBNVMWSVSA-N 434.672 5.317 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCC2(CCNCC2)C1 2155268932 GOSRFYASVQFYNV-NRFANRHFSA-N 434.378 5.007 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@]2(Nc3cc(Br)cc(F)c3C#N)CCC[C@H]12 2163689475 GSDONTHVEPNEJM-PXNSSMCTSA-N 438.341 5.194 30 10 IKEE Cc1c(Cl)cc(C(=O)N2CCC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)cc1Br 2167376649 KMFCTMJGOKKUTQ-CQSZACIVSA-N 442.590 5.109 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](O)c1c(F)cc(C)cc1Br 2173407314 LYGASADNXKTUFA-VXKWHMMOSA-N 436.365 5.071 30 10 IKEE CC(C)c1ccccc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2174246895 LHISHJWWTTZJEV-FQEVSTJZSA-N 429.358 6.579 30 10 IKEE CC(C)(C)OC(=O)NC[C@H](Nc1cc(Br)c(C#N)cc1F)c1ccccc1 2179673951 FHNPNDPFSTYDPQ-SFHVURJKSA-N 434.309 5.138 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C(=O)C2=CC[C@H](C(C)(C)C)CC2)cc1Br 2181549685 GWOKDOFPEYSEKJ-INIZCTEOSA-N 436.390 6.751 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H](Nc2ccc(Br)c(C#N)c2)C12CCCC2 2204302665 MIDZMXDLZVEERW-SFHVURJKSA-N 434.378 5.445 30 10 IKEE C=CC1CC(CO)(N(CC(F)(F)F)C(=O)OCC2c3ccccc3-c3ccccc32)C1 2209682802 ABWVOALODZBRSJ-UHFFFAOYSA-N 431.454 5.127 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1cc(Cl)ccc1NC(=O)OC(C)(C)C 2217374493 CQZNGLDZWKLLJR-HSZRJFAPSA-N 445.003 6.501 30 10 IKEE CCCCCCC[C@H](O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2229105026 FMGAFFNLTXEZOB-OALUTQOASA-N 428.411 5.606 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)[C@@H](CC)CCNC(=O)OC(C)(C)C 2235734832 XGEVPKUQEQLOJT-PXNSSMCTSA-N 437.422 5.110 30 10 IKEE Cc1cccc2c1CC[C@]2(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2240131062 GCQWUGYDVCIEJI-JOCHJYFZSA-N 427.342 5.864 30 10 IKEE CC1(C)OB(c2ccc3nc(N(Cc4ccccc4)C4CCCC4)sc3c2)OC1(C)C 2264347143 ZGQLMSSAGLSNEE-UHFFFAOYSA-N 434.414 5.545 30 10 IKEE C[C@@H](C1CC1)N(Cc1ccccc1)c1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2s1 2264352000 UOYNZGBSICLXRB-KRWDZBQOSA-N 434.414 5.401 30 10 IKEE C[C@H](NC(=O)OC(C)(C)C)c1cccc(NC(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)c1 2267114849 KHLPMVXKRIXRCL-SZMVWBNQSA-N 444.381 5.083 30 10 IKEE CCP1(=O)CCC(C#N)(N(C(=O)OC(C)(C)C)c2cccc(Br)c2)CC1 2268280876 VTKUHHPNSUXZPF-UHFFFAOYSA-N 441.306 5.630 30 10 IKEE CC#CCCC[C@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2277026205 PFPYEWQVYQCXJT-MHZLTWQESA-N 443.587 6.055 30 10 IKEE CN[C@H](C#Cc1cccnc1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2278262429 BBMSJBYJOFOFFH-HHHXNRCGSA-N 434.539 5.552 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](CNc2c(Br)cccc2C#N)[C@H]2CCCC[C@H]21 2285188405 QNECIKVEPWZTNW-LZLYRXPVSA-N 434.378 5.158 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(F)cc(Br)c1F 2288354823 OFQOAWNRZPJECB-WMZOPIPTSA-N 445.348 5.075 30 10 IKEE CN[C@H](C#Cc1cccc(Br)c1)[C@H](CCC(C)(C)C)NC(=O)OC(C)(C)C 2296219321 MTIPJTIYKGMVGD-MOPGFXCFSA-N 437.422 5.108 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@@H](CC)CCNC(=O)OC(C)(C)C 2296270743 AQZLWFFCTGGQDM-ICSRJNTNSA-N 437.422 5.110 30 10 IKEE O=C(C=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc(Br)cc1 2296818136 OVDDNJCFQQDCSQ-UHFFFAOYSA-N 432.657 6.167 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)c4ccccc4Cl)ccc3C2=O)cc1OC 2296866090 WGQLEMLRIHKREA-UHFFFAOYSA-N 436.847 5.193 30 10 IKEE C=CCN1C(=O)C(=Cc2cccc(OC)c2)SC1=Nc1nc(-c2ccccc2)cs1 2314544178 VRTSULBSGWYHNU-UHFFFAOYSA-N 433.558 5.609 30 10 IKEE COc1ccccc1CN1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(F)cc1)C3=O 2321993630 GNCBSHQVHMDDRH-UHFFFAOYSA-N 431.463 5.111 30 10 IKEE Cc1ccc(NC(=O)COc2ccccc2C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1C 2322307651 ARTHHQFXWYKYEZ-UHFFFAOYSA-N 430.460 5.125 30 10 IKEE O=C(C=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12)c1ccc2ccccc2c1 2322318957 IQCUOFUWUNCGEU-UHFFFAOYSA-N 432.494 7.607 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(cc4c(c3C)OCN(C3CCCC3)C4)C2=O)cc1 2322328580 YUGUCXASRKYATM-UHFFFAOYSA-N 432.564 5.552 30 10 IKEE COc1cccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2cccc(C)c2C)c1 2322378834 SSIGYHWZXMQSPB-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(F)c(F)c2)c1OCc1cccc(F)c1 2322781596 VGAFWZJUJXVKMC-UHFFFAOYSA-N 432.825 6.241 30 10 IKEE Cc1cc(OC(=O)c2cc3cc(Cl)ccc3o2)cc2c1C(=O)C(=Cc1cccc(F)c1)O2 2322847246 HCQXTONTQBQSCT-UHFFFAOYSA-N 448.833 6.369 30 10 IKEE COc1cccc2cc(C(=O)Oc3ccc4c(c3C)OC(=Cc3cccs3)C4=O)oc12 2322860279 XTQHRFGTPJBCDZ-UHFFFAOYSA-N 432.453 5.647 30 10 IKEE C=C(C)COc1c(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc(Cl)cc1OC 2322969496 DTHIWNLXLRGYLK-UHFFFAOYSA-N 441.738 6.515 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(CC)cc2)cc(OC)c1OCC(=O)OCC(C)C 2323481816 XCGFHJLLSFNDOM-UHFFFAOYSA-N 436.548 5.460 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OC(=O)C=Cc3ccc(C(C)C)cc3)c2C)C1=O 2323504133 PBSSXRRYNKKDQY-UHFFFAOYSA-N 438.523 6.662 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OC(=O)c4cccc(OCC(C)C)c4)c3C)C2=O)c1 2323580624 QSSPXNBBXFXNHL-UHFFFAOYSA-N 442.511 6.174 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc(C)c3C2=O)o1 2323702318 NTMHUXPUZBFDTA-UHFFFAOYSA-N 439.807 5.293 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(OC)c2)C3=O)cc1 2323791503 PNICABVYXFXEBA-UHFFFAOYSA-N 430.456 5.238 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 2323865232 XFEVFZOIAKYKAL-UHFFFAOYSA-N 445.515 6.394 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 2323865595 XDQQSPCVKUDPKC-UHFFFAOYSA-N 431.488 6.085 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1ccc2c(c1)OCO2 2324080692 PTKUZNFZZNDEHR-UHFFFAOYSA-N 427.283 6.197 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OCC(=O)OCC(C)C)c(Cl)c1 2324365909 IEJKEMRVJJMQOU-UHFFFAOYSA-N 430.928 5.440 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(C)cc1 2324451642 IZNJKVRRUZWQLP-UHFFFAOYSA-N 434.963 7.139 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(O[C@H](C)C(=O)Nc4ccc(C)cc4C)c3C)C2=O)cc1 2324495442 AEVOCSMRAUFDJC-HXUWFJFHSA-N 441.527 5.942 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)ccc1OCC(=O)OCC(C)C 2324586264 QBIMGDWCUPWYFU-UHFFFAOYSA-N 438.564 5.775 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OCc2ccccc2F)c([N+](=O)[O-])c1 2324704107 TXQLOYQJYDTOIO-UHFFFAOYSA-N 441.842 5.871 30 10 IKEE Cc1c(Cl)cccc1NC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O 2325053077 KKXOVLXHRWPKTK-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE Cc1c(OCc2ccc(C(=O)OC(C)C)o2)ccc2c1OC(=Cc1cccc(F)c1)C2=O 2325387837 HJRIATGWDTXWTI-UHFFFAOYSA-N 436.435 5.488 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)COc3c(C)cccc3C)c2)cc1 2325704808 AXUHIGGYZKURLH-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE COc1cccc(C(=O)C=Cc2cccc(OC(=O)c3ccccc3-c3ccccc3)c2)c1 2325707815 VBUGRVTXTPAVGC-UHFFFAOYSA-N 434.491 6.478 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccncc3)c2)cc1 2325751880 NCRPCNZVHKFDMF-UHFFFAOYSA-N 443.543 6.546 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccc(C)cc3)c2)c(OC)c1 2325760737 OSEKIHGWVDQKEV-UHFFFAOYSA-N 446.499 5.065 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)c2sccc2C)c1 2325764008 URIRRUVAXAHFOK-UHFFFAOYSA-N 426.921 6.142 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OC(=O)c1ccc(N(C)C)cc1 2325764336 IQKLOELLZLFIFD-UHFFFAOYSA-N 443.543 5.802 30 10 IKEE CCOc1ccc(C=Nn2c(CC)nnc2SCc2cc(C)cc(C)c2)c(OCC)c1 2326401239 GMOFZGDRCQQVKN-UHFFFAOYSA-N 438.597 5.429 30 10 IKEE Cc1cc(C)cc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccc(O)cc2)c1 2326422056 VSZPTCASWRDOEJ-UHFFFAOYSA-N 428.561 5.366 30 10 IKEE Cc1cccc(OCCCc2nnc(SCc3ccccc3)n2N=Cc2ccccn2)c1 2327007354 WZPVPMHHXIKWLB-UHFFFAOYSA-N 443.576 5.168 30 10 IKEE C=CCSc1nnc(COc2cc(F)ccc2F)n1N=Cc1ccccc1OCCC 2327476248 YBZOVPOGEGOODY-UHFFFAOYSA-N 444.507 5.084 30 10 IKEE C=C(C)CSc1nnc(Cc2cccc3ccccc23)n1N=Cc1c[nH]c2ccccc12 2327745660 BPROEWGRTFCWIE-UHFFFAOYSA-N 437.572 6.054 30 10 IKEE C=C(C)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccc(C(C)C)cc1 2327861078 WFLXJZHMJOLLSV-FQEVSTJZSA-N 439.629 5.066 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1c(F)cccc1Cl 2328566973 MIWMDRDPQHKQKW-UHFFFAOYSA-N 444.963 5.611 30 10 IKEE Cc1ccccc1CSc1nnc(CCCOc2ccccc2)n1N=Cc1ccc[nH]1 2328717321 WLDCURJKQXYMTD-UHFFFAOYSA-N 431.565 5.101 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](NC(=O)C=Cc1ccc(Cl)c(Cl)c1)c1ccccc1 2330534964 XQDOCMKRDKIXML-JOCHJYFZSA-N 429.347 5.065 30 10 IKEE CN(C)c1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2-c2cccs2)cc1 2330540800 AJCUUXOTXNLKRC-UHFFFAOYSA-N 437.569 5.386 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3cccc(OC)c3)cc2Cl)cc1 2330781171 WDZZYIRUJIWSKM-UHFFFAOYSA-N 448.946 6.345 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(OC)c2)cc(OC)c1OC(=O)c1cccc(F)c1 2330798632 YHSZVIDJOHPZQB-UHFFFAOYSA-N 446.474 5.687 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(CC(C)(C)C)n2N=Cc2ccccc2C)cc1 2330821220 SJEUZIPJVQRLLD-UHFFFAOYSA-N 449.624 5.351 30 10 IKEE Clc1cccc(CSc2nnc([C@@H]3CCCO3)n2N=Cc2c[nH]c3ccccc23)c1 2330993830 GQKFZLMLFUUAJQ-FQEVSTJZSA-N 437.956 5.439 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2cccs2)c1 2331044417 FJTATMQYRBBKNO-UHFFFAOYSA-N 439.610 5.227 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(OCC)c(OC(=O)C(C)(C)C)c([N+](=O)[O-])c2)cc1 2331205025 VXGIWTPDUYQVSZ-UHFFFAOYSA-N 441.480 5.240 30 10 IKEE COc1cccc(C=Nn2c(SCc3cccc4ccccc34)nnc2-c2ccco2)c1 2331218545 KGFQLTJCUFBRCY-UHFFFAOYSA-N 440.528 5.874 30 10 IKEE Cn1cccc1C=Nn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccco1 2331225706 RDLKBRHPRHOPAA-UHFFFAOYSA-N 432.336 5.358 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)C3CC3)c(Br)c2)cc1 2331305021 GCIGCGOWAOJYCM-UHFFFAOYSA-N 429.310 5.449 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1N=Cc1ccccc1C 2331332978 ITGGPIDNWFGCDF-UHFFFAOYSA-N 435.597 5.159 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(C)(C)C)n2N=Cc2ccc(Cl)cc2Cl)c1 2331397666 VAYSSINUMLWLLY-UHFFFAOYSA-N 447.435 6.674 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCCO4)cc2Cl)cc1 2331398737 GTYLNGTVZGDTSD-UHFFFAOYSA-N 448.902 5.789 30 10 IKEE Cc1cccc(C=Nn2c(CC(C)C)nnc2SCC(=O)Nc2ccc(C)c(C)c2)c1 2331430387 OEAWCWRASUQUEX-UHFFFAOYSA-N 435.597 5.015 30 10 IKEE CCc1ccc(C=Nn2c(CC(C)C)nnc2SCC(=O)Nc2ccccc2CC)cc1 2331432770 WUIPIGFWBYSCIK-UHFFFAOYSA-N 449.624 5.214 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)[C@@H](C)c1ccccc1 2331450445 KXPMTUGJMHNESO-KRWDZBQOSA-N 430.456 5.029 30 10 IKEE CC(C)Cc1nnc(SCCc2ccccc2)n1N=Cc1cccc(Br)c1 2331459029 DCXOYCYLJJNYHL-UHFFFAOYSA-N 443.414 5.456 30 10 IKEE CCc1ccc(C=Nn2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2C2CCC2)cc1 2331496134 QPKYEOCPZNSGPC-UHFFFAOYSA-N 447.608 5.338 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc3ccccc23)c(Cl)c1)c1ccc(F)c(F)c1 2331558646 WOFAQUZSPANESA-UHFFFAOYSA-N 448.852 6.887 30 10 IKEE Cc1cccc(CSc2nnc(C(C)C)n2N=Cc2cccc(Br)c2)c1 2331685203 UFHATNNKLMDIBX-UHFFFAOYSA-N 429.387 5.647 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(C3CC3)n2N=Cc2ccc(C(C)C)cc2)cc1 2331730156 WFTKBCQEDOMVBP-UHFFFAOYSA-N 447.608 5.454 30 10 IKEE Cc1cccc(CSc2nnc(C3CC3)n2N=Cc2cccc(Br)c2)c1 2331733863 WVPWAQHJUFIBAZ-UHFFFAOYSA-N 427.371 5.401 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3F)c(OC)c2)cc1C 2331854607 AESGVWPPGPAGCD-UHFFFAOYSA-N 448.490 5.504 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2cccnc2)c(Cl)c1 2331876667 ASLJZTKOGQZXMH-UHFFFAOYSA-N 428.271 5.512 30 10 IKEE CC(C)(C)c1cccc(-n2nnc(C#N)c2NC(=O)C=Cc2ccc(Cl)c(Cl)c2)c1 2332188772 VSDRRBRBKLXYDQ-UHFFFAOYSA-N 440.334 5.395 30 10 IKEE CCN(CC(C)(C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2339590739 RCFJBMKYYFQKTP-UHFFFAOYSA-N 446.397 5.141 30 10 IKEE N#Cc1cc(Br)ccc1OCc1cc(I)ccc1Cl 2352425374 FZECZPOVCULMEB-UHFFFAOYSA-N 448.485 5.158 30 10 IKEE CN[C@H](C#Cc1ccc(Br)cc1)c1ccc(NC(=O)OC(C)(C)C)cc1F 2361058472 INKAATKIFFFSJI-LJQANCHMSA-N 433.321 5.247 30 10 IKEE O=C1CCCC2=C1[C@H](/C=C/c1ccccc1)n1nc(SCc3ccccc3Cl)nc1N2 1283480 GBRGSDZGDPAQHL-AIGDTVQASA-N 448.979 5.911 30 10 IKEE CCCCCCCc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(C#N)cc3)cc2)cc1 2022921 SAFXDBOAWDVEGJ-UHFFFAOYSA-N 441.527 6.510 30 10 IKEE biogenic CN(C)c1ccc(/C=C2/S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1 2897750 SCZDWWWCUJAVTH-UINIZAEWSA-N 427.573 5.425 30 10 IKEE O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@@H](c1cc(Cl)ccc1O)Nc1ccccc1N2 20884117 MWXTWWWTFPPAGZ-ODCWNRFASA-N 434.898 6.164 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccn2)cc1OC 20885130 DCWDATADGWFGTP-CLYVBNDRSA-N 441.531 5.468 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(OCCC)cc2)cc1 21237802 OXMLNWFVXAIPDW-NZQKXSOJSA-N 433.548 5.269 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C/c1c(F)cccc1Cl)C2=O)c1ccc([N+](=O)[O-])cc1 33388750 WPSMDUNFYWSLRB-RGVLZGJSSA-N 439.782 5.223 30 10 IKEE C=CCc1ccccc1OCCCn1c(-c2ccc(Br)cc2)nc2ccccc21 40249603 OJWBGLPZYSWTPM-UHFFFAOYSA-N 447.376 6.663 30 10 IKEE C[C@H]1CCc2c(C#N)c(NC(=O)COc3ccc(C(C)(C)C)cc3)sc(=S)c2C1 41014553 CGVDQNFZKUWVRN-AWEZNQCLSA-N 426.607 5.789 30 10 IKEE COc1ccc2c(c1)c(/C=C1\Oc3c(cc4c(c3C)OCN(C3CCCC3)C4)C1=O)cn2C 41589140 GPJIHQQFNLMMSW-MYKKPKGFSA-N 444.531 5.206 30 10 IKEE C=CCn1c(CNc2ccc(C)cc2)nnc1SCCC(=O)Nc1ccc(Cl)cc1 59265699 YBSOJYPMFYMPIS-UHFFFAOYSA-N 441.988 5.159 30 10 IKEE CCOc1ccccc1N/N=C1/C(=O)N(c2nc(-c3ccc(Cl)cc3)cs2)N=C1C 59461766 QSADENBEIWAYEC-NCELDCMTSA-N 439.928 5.053 30 10 IKEE CCCCCCCOc1ccc(NCC(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cc1 100077650 QMEMDIZFHLLCJK-UHFFFAOYSA-N 439.600 6.071 30 10 IKEE COc1cccc([C@@H](C/N=C\c2cc(C)n(C3CC3)c2C)c2c[nH]c3ccccc23)c1OC 104729030 DODKOPWPASHMAM-XSKYCKKESA-N 441.575 6.189 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(OCCCc3ccccc3)cc2)NC(=S)N1 169938207 LTVSSZYNCDAXSP-RUZDIDTESA-N 442.584 5.374 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccc(O)cc2)c1 169962870 URSGSTYAEPMPCF-DEOSSOPVSA-N 443.499 5.191 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2cc(F)ccc2F)c1 169971618 XBNBDWJXNMUNJP-HSZRJFAPSA-N 433.454 5.673 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2cccc(C)c2)cc1C 169972569 GXUKCTSLTJPWNT-XMMPIXPASA-N 445.490 5.230 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2C2CCCCC2)cc1 170031511 BVPYILSYZXFIGE-HSZRJFAPSA-N 435.520 5.005 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)[C@H]2c2ccccc2)cc1 170053741 NOBHLOGOCNQDMD-DEOSSOPVSA-N 427.500 5.565 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccc1F 170072166 BNAMUNYOKVNLFO-XMMPIXPASA-N 447.506 5.372 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)cc(Cl)c2OC)[C@@H]1c1cccs1 170165207 DPOSPHOFMOBZMX-HNNXBMFYSA-N 426.321 5.052 30 10 IKEE Cc1ccc(-c2csc(C3=C(N)N(c4cc(Cl)cc(Cl)c4)CC3=O)n2)cc1C 170180269 YJPWVNSJXUTNHH-UHFFFAOYSA-N 430.360 5.450 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccncc2)cc1C 170202248 FUPQBXUMYFLKSJ-RUZDIDTESA-N 438.527 5.360 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(OCCC)cc1 170215382 BQZVCQWLBZRJNG-QFIPXVFZSA-N 425.500 5.301 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@@H]1c1cccc2ccccc12 170220989 KTABEELLFWHUAP-QHCPKHFHSA-N 449.934 5.880 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)c(Cl)c2)[C@H]1c1ccc(F)cc1 170243460 AJZWIVCKKWNCDP-QGZVFWFLSA-N 438.282 5.129 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1ccccc1F 170248686 RMGOXEPVCLOVNY-QFIPXVFZSA-N 435.426 5.065 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCCC)c2)[C@H]1c1ccccc1F 170253121 RHWLGWNVLIIHQP-JOCHJYFZSA-N 425.500 5.383 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccc(O)c2)cc1Cl 170258472 BWCMYOQCLWEZRQ-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccc2C)cc1C 170271586 BIFUIZWOPGKXOS-VWLOTQADSA-N 441.527 5.793 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(Cl)cc4)[C@@H]3c3ccco3)oc12 170286759 VKUOIZDGGYQHDC-HXUWFJFHSA-N 449.846 5.471 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCO3)=C(O)C(=O)N1c1ccccc1 170315007 TYCNGKIQHUCZHF-NRFANRHFSA-N 431.513 5.164 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)c(Cl)cc2OC)[C@@H]1c1sccc1C 170318644 RQPQYWBJKHACEQ-GOSISDBHSA-N 449.956 5.106 30 10 IKEE CCN(CC)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccc(C)c2)cc1 170342781 KAAGWMRADYZBBL-QHCPKHFHSA-N 446.572 5.686 30 10 IKEE COc1cc(OC)cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2sccc2C)c1 170405207 PNJSNWNIJPSXHL-NRFANRHFSA-N 449.528 5.165 30 10 IKEE Cc1cccc(Oc2ccc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3cccnc3)cc2)c1 170481358 DOXNGNYGZXAHIE-VWLOTQADSA-N 442.515 5.698 30 10 IKEE CCCCN1C(=O)/C(=C2/Sc3ccccc3N2CC)SC1=Nc1ccc(C)cc1C 254446259 HHGWGMCWHDRVFN-SEYIQKDNSA-N 437.634 6.468 30 10 IKEE N#CC[C@H](Nc1ccc(I)cc1Br)c1ccccc1 311632434 MNWHGRKWFRBDFD-AWEZNQCLSA-N 427.083 5.121 30 10 IKEE CCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1cc(Cl)c(O)c(OC)c1 526811306 HMFFLXLAUMSSCW-YVNNLAQVSA-N 437.352 5.036 30 10 IKEE CCCOc1ccc(/C=N\n2c(C)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1Cl 526829281 ZXMQKLJKWFALNU-UUYOSTAYSA-N 445.932 5.111 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccccc2)C1 699648997 YBYIOVBREYOPPH-KOSHJBKYSA-N 429.561 5.357 30 10 IKEE Cc1ccc([C@@H]2[CH]c3ccccc3O/C2=N/N=C2\SCC(=O)N2c2cccc(C)c2)cc1 1614733032 UVGRUWWFGCWTHU-DWHVKYRYSA-N 440.548 5.482 30 10 IKEE C=CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=Nc1cccnc1Cl 1772732977 IKYSWLRUYJQLGO-AXPJIBDUSA-N 434.746 5.288 30 10 IKEE Cc1c(N=Nc2ccccc2Br)c(O)n([C@H](C)c2ccccc2)c(=O)c1C#N 1772740959 ODBZQNDRFXCKJC-CQSZACIVSA-N 437.297 5.521 30 10 IKEE C=CCN1C(=O)COc2ccc(C(=O)CSc3nc(-c4ccc(C)cc4)cs3)cc21 1860796854 BFDJCQOGJSIUPC-UHFFFAOYSA-N 436.558 5.005 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)/C=C/c1ccc(OC)cc1OC 1861560538 GHHBSFJZHGHMQM-RAJCYROYSA-N 446.632 5.259 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](CCCC)NC(=O)CCCOc1ccc(C(C)(C)C)cc1 1862212988 PBPURROERXLVRV-QHCPKHFHSA-N 428.617 5.019 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccccc1 1862380332 ZVUCKPFODZSLLH-XWRIVVANSA-N 444.358 6.150 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccccc2C)cc1 1862389381 DUFGIESQJZJBSU-KHMOSXFSSA-N 445.603 6.495 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(C(C)(C)C)cc1 1862435465 WXBVLURSDRPIML-QFIPXVFZSA-N 439.983 6.262 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 1862478655 NBVWTTUFUZFOFJ-QHCPKHFHSA-N 446.503 5.372 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccccc1F 1862490129 OFACULRVEMDRJL-XMMPIXPASA-N 445.490 5.230 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2Cl)cc1 1862515520 CIYBLOLPWHYTBF-JOCHJYFZSA-N 439.939 5.650 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccccc1C 1862523129 ABNHQMMWJQUJCS-HXUWFJFHSA-N 442.353 5.526 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862595528 NTHFKHNIDYHMAI-DEOSSOPVSA-N 433.548 5.817 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccccc1Cl)c1cccc2ccccc12 1862653221 OUUWWSBYSUOQIZ-QHCPKHFHSA-N 443.886 5.865 30 10 IKEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccccc1C 1862659700 CLINMNSWWIUUFH-RUZDIDTESA-N 448.607 5.429 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1c(Cl)cccc1Cl 1862667810 KPNMJMDIYGZFFN-LHSJRXKWSA-N 446.374 6.494 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(OC)c(OC)c1 1862669405 VPQRMXYVCTZFCJ-MWTRTKDXSA-N 437.536 5.204 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2ccc(F)cc2F)cc1 1862688944 FGCBFQILZGOZBM-HSZRJFAPSA-N 449.453 5.060 30 10 IKEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862718589 AEIGVYACLGDTQD-XDHUDOTRSA-N 443.543 5.096 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(C)cc1 1862722609 VJFBVWPNHQANMR-VWLOTQADSA-N 425.528 6.040 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccc(Cl)c1 1862725808 SFZYWKXTFOXTST-BXKMTCNYSA-N 445.946 6.384 30 10 IKEE COc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(C(C)C)cc3)C2=O)cc1 1862960201 BKVISWNXQPCPOV-UHFFFAOYSA-N 437.499 5.087 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2C)=C(c2cccc3ccccc23)C1=O 1863224202 GNEXXOAQKDRNCE-UHFFFAOYSA-N 440.587 6.701 30 10 IKEE CCCC[C@@H](NC(=O)/C=C(/c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1cccc(C#N)c1 1866691348 NVSRSHXVOCHOJL-NPWCAHBGSA-N 429.564 5.282 30 10 IKEE Cc1ccc(/C(=C/C(=O)N[C@@H](C(=O)Nc2cccc(C#N)c2)c2ccccc2)C2CC2)cc1C 1866691759 ZDBQQDXRSPYAKL-XQNWCSQWSA-N 449.554 5.465 30 10 IKEE CC[C@H](C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc(C#N)c1)c1ccc(Cl)cc1 1866957697 VFUYSQUEKBJCJY-BJKOFHAPSA-N 445.950 5.071 30 10 IKEE Cc1ccc(-c2nc(Nc3cccc(C#N)c3)cc(N3CCc4nc[nH]c4[C@H]3C(C)C)n2)cc1 1868311879 DPXZOPQYMHLESJ-AREMUKBSSA-N 449.562 5.550 30 10 IKEE C=CCn1cc(OCCCCOc2cccc(C)c2)c(=O)cc1CSc1ccccc1 1870222823 ATPXWTHAVUQMBF-UHFFFAOYSA-N 435.589 5.873 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(Cl)cc2)cn1CCCCCC 1870441393 HNMZMZOXEJOFSI-UHFFFAOYSA-N 429.004 5.835 30 10 IKEE CCCCCCCCCCn1cc(OCCOC(C)C)c(=O)cc1CNc1ccccc1 1870988750 CUGKSXBARIITDR-UHFFFAOYSA-N 442.644 6.405 30 10 IKEE CCCCCCCCn1cc(OC)c(=O)cc1CNc1ccc(Br)cc1C 1870996704 AADHHDCZXZZHTQ-UHFFFAOYSA-N 435.406 5.900 30 10 IKEE CCCCCCCCCCn1cc(OCCC)c(=O)cc1CNc1ccc2cc[nH]c2c1 1871106711 WGIUDNVUMUGDQU-UHFFFAOYSA-N 437.628 6.871 30 10 IKEE C=CCn1cc(OCC(=O)Nc2ccccc2C(C)C)c(=O)cc1CNc1ccccc1C 1871172681 YGWVTJWHWMMAHT-UHFFFAOYSA-N 445.563 5.096 30 10 IKEE Cc1ccc(CCN2COc3ccc4c(c3C2)O/C(=C\c2ccccc2Cl)C4=O)cc1 1871347950 GPUQVKZJQSRMDW-OYKKKHCWSA-N 431.919 5.659 30 10 IKEE O=C1/C(=C/c2ccc3c(c2)OCO3)Oc2c1ccc1c2CN(C2CCCCCCC2)CO1 1871348395 CPUAXRCRNASKOE-CFRMEGHHSA-N 433.504 5.296 30 10 IKEE CCCCCCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(OCC)cc1)C3=O 1871348441 FRLNGKUODICENA-UQQQWYQISA-N 435.564 6.214 30 10 IKEE COc1ccc([C@@H](C)N2COc3ccc4c(c3C2)O/C(=C\C=C\c2ccccc2)C4=O)cc1 1871354655 WUIQXAIKLIITCU-AANPGHLASA-N 439.511 5.781 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(Cl)cc1)C3=O)CN(C1CCCCCCC1)CO2 1871355806 WXFBZXPDQBTRCK-QRVIBDJDSA-N 437.967 6.529 30 10 IKEE Cc1c(OC(=O)c2ccc(Cl)c(Cl)c2)ccc2c1O/C(=C\c1ccc(F)cc1)C2=O 1871372465 SLQYGTNRSCAEKP-JMIUGGIZSA-N 443.257 6.276 30 10 IKEE O=C1/C(=C/c2cccc([N+](=O)[O-])c2)Oc2cc(OC(=O)c3cccc4ccccc34)ccc21 1871377765 CKPRPKJPMNNQPK-OYKKKHCWSA-N 437.407 5.583 30 10 IKEE COc1ccc(OC)c(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccs2)C3=O)c1 1871380290 GUHWPBDSNSYMDQ-OAYMULHASA-N 448.496 5.309 30 10 IKEE CCCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1 1871391391 ZLRAZJWOUCBROY-IWIPYMOSSA-N 442.467 5.536 30 10 IKEE Cc1cc(O)c(CN2C[C@@H](C)C[C@@H](C)C2)c2c1C(=O)/C(=C/c1ccc(Cl)c(Cl)c1)O2 1871396346 AWIBRYLFRZAKOY-YHRJSEKKSA-N 446.374 6.102 30 10 IKEE CCn1cc(/C=C2\Oc3c(CN4C[C@H](C)C[C@@H](C)C4)c(O)cc(C)c3C2=O)c2ccccc21 1871396535 LGHZPKYLVKWFQA-YFLRDDLESA-N 444.575 5.769 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCCCOc3ccc(OC)cc3)ccc2C1=O 1871415602 KUGDNOKWCJWJTO-ONUIUJJFSA-N 446.499 5.558 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OCCCOc4ccc(OC)cc4)c3C)C2=O)cc1 1871415868 XYOMBPKYUMHIJG-ITYLOYPMSA-N 444.527 6.030 30 10 IKEE CCCC[C@H](Oc1ccc2c(c1C)O/C(=C\c1cccc(Br)c1)C2=O)C(=O)O 1871422988 LIWLTRRQYCXALJ-IZILLXMLSA-N 445.309 5.396 30 10 IKEE Cc1c(OCC(=O)Nc2c(Cl)cccc2Cl)ccc2c1O/C(=C\c1ccco1)C2=O 1871430810 DHLSTQNRBDXYCB-ZDLGFXPLSA-N 444.270 5.529 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C)c(Cl)c4)ccc3C2=O)cc1 1871456799 XNMOXWGRACFSLF-KSEXSDGBSA-N 433.891 5.591 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C(C)C)cc1)c1ccccc1)S(=O)(=O)CCCC 1871843337 AVMHZVYZAIZLJB-XMMPIXPASA-N 442.625 5.498 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1871877022 XAFGYCHEIKMXJR-JOCHJYFZSA-N 449.016 5.331 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(Cl)cc1)[C@@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1871892033 NKCIOZFMGJAILG-JTSKRJEESA-N 449.016 5.187 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccccc1C)S(=O)(=O)c1cc(C)ccc1C 1872407395 NHHQTWAYWNBTSH-QHCPKHFHSA-N 442.625 5.232 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(Cl)cc1C)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872508635 YVGVSKHEODMBGI-JTSKRJEESA-N 449.016 5.187 30 10 IKEE N#C[C@H](C(=O)/C=C/c1ccc(Cl)c(Cl)c1)c1nc(-c2cccc(Cl)c2)cs1 1872767124 STTXYPOYVJIBRJ-KEDPEKRHSA-N 433.747 6.660 30 10 IKEE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)[C@@H](C#N)c1nc(C(C)(C)C)cs1 1872769872 ZPBMYFZBJVHJAG-CMPLNLGQSA-N 441.778 5.500 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(OCC)cc3)n2)cc1 1872770469 VJNCZXRCXYGXSD-MNTLFOFUSA-N 432.545 5.887 30 10 IKEE COc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3cc(C)ccc3OC)cs2)cc1OC 1872771614 XSNRTXNAIPKGQT-JHTBKMLMSA-N 434.517 5.034 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(Cl)c(C)c3)n2)cc1F 1872775188 LNNSEWBYWYMFIE-OAHLLOKOSA-N 430.888 5.175 30 10 IKEE COc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2cc(Cl)cc(C)c2OC)cs1 1872785883 BIKWAQRBYPDCCP-MRXNPFEDSA-N 442.924 5.044 30 10 IKEE CCCCN(CCCC)CC(=O)[C@H](C#N)c1nc(-c2ccccc2)c(-c2ccccc2)s1 1872800882 XMDJLEQSODMBOS-QHCPKHFHSA-N 445.632 6.556 30 10 IKEE CCCCCCCCCCNC(=O)c1cccc(COc2cccc(N(CC)CC)c2)c1 1872841059 SOSCVUAVWDOQLN-UHFFFAOYSA-N 438.656 6.982 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2C)C(=O)N(CCOC(C)C)C1=O 1873102263 KVLUJQIJBHIJCO-UHFFFAOYSA-N 428.617 5.230 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(OC(C)C)c2)=C(c2ccccc2C)C1=O 1873305611 MPJNTNGJRMXKMJ-UHFFFAOYSA-N 448.607 6.335 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)c(F)c2)=C(c2cc(F)cc(F)c2)C1=O 1873317867 CSLHFNHBAXDIQM-UHFFFAOYSA-N 448.460 5.796 30 10 IKEE C=CCN(CC=C)C(=O)c1ccc2[nH]c(-c3ccc(OC(=O)c4ccccc4)cc3)nc2c1 1873503903 BRZJMZSMEZXXMR-UHFFFAOYSA-N 437.499 5.263 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(C)c(C)c1)n2CCC 1873619994 QPPNHWQNXYFACQ-UHFFFAOYSA-N 435.616 6.483 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccccc1C 1874213124 WNWAGAMWVIZPII-MFKUBSTISA-N 441.000 5.802 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(COc2c(C)cccc2C)nnc1SCC=C 1874300493 RXFHNCGWERMTBO-PCLIKHOPSA-N 434.565 5.199 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCOc3ccccc3)n2/N=C/c2ccco2)c1 1874346519 SPLKVNMHUZPNSB-PCLIKHOPSA-N 432.549 5.284 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3Cl)n2/N=C/c2ccco2)cc1 1874349515 PKDBVVSGPIJERY-ZVHZXABRSA-N 438.940 5.298 30 10 IKEE CSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874356179 VYKJYGSKHJTTND-WPWMEQJKSA-N 442.588 5.669 30 10 IKEE Fc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2/N=C/c2ccncc2)cc1 1874382119 ZGBYUSBHNYVNSV-VULFUBBASA-N 437.931 5.231 30 10 IKEE CCc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCc2cccc(C)c2)cc1 1874410105 CKJMHWRZWZLKDO-PCLIKHOPSA-N 432.618 5.976 30 10 IKEE COc1cc(/C=N/n2c(Cc3ccccc3)nnc2SC)ccc1OCc1ccccc1 1874415517 UHKKQQJWLPUCFN-YZSQISJMSA-N 444.560 5.061 30 10 IKEE CC(C)(C)c1nnc(SCc2ccccc2Cl)n1/N=C/c1ccccc1[N+](=O)[O-] 1874484043 BZVPIWNMHXOJRA-WSDLNYQXSA-N 429.933 5.312 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2C2CCC2)cc1OC 1874493541 RXYASEWKZVFULL-MFKUBSTISA-N 436.581 5.436 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccccc1C(=O)O 1874508763 UGAZRMXUOYEUSI-MFKUBSTISA-N 430.533 5.257 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccc(C(C)C)cc1 1874526226 UDJMFMOIGYTODM-WYMPLXKRSA-N 433.408 6.445 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccccc2OCc2nc(O)c3ccccc3n2)cc1 1874581912 MNSPZEWRUQHJQM-SAPNQHFASA-N 438.527 6.108 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Br)ccc2OCc2cccc(F)c2)cc1C 1874588114 AJPPJQXDGICQAA-CSKARUKUSA-N 439.324 6.680 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3nccs3)c(Cl)c2)cc1C 1874606963 PHLSTRQTTFBMQG-ZZXKWVIFSA-N 442.924 5.027 30 10 IKEE CCCNC(=O)COc1c(Cl)cc(/C=C/C(=O)c2cccc(Cl)c2)cc1OCC 1874612157 FQEZTTPNCDBCKV-CMDGGOBGSA-N 436.335 5.193 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OCC 1874613534 ZMQAQOSQSNHCDE-ZRDIBKRKSA-N 443.971 5.662 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(Br)c1OCCO 1874629737 RBCWKTHQLJDDLJ-BQYQJAHWSA-N 447.369 5.349 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccccc2[N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 1874695910 YROYHFKXENOPDT-DHZHZOJOSA-N 442.254 6.017 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C)c(C)c3)c2)c(OC)c1 1874713747 MDPCSWNRAHXIHT-UKTHLTGXSA-N 430.500 5.365 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)ccc1OC(=O)Cc1ccc(C)cc1 1875109287 GWJPNMTWROUQIS-JLHYYAGUSA-N 444.527 5.755 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1 1875135153 BZZCJWSBPMOSMV-LFIBNONCSA-N 433.375 7.546 30 10 IKEE CCCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1OC 1875135195 FMWXFEMMBDIBHX-JXMROGBWSA-N 437.319 6.002 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1ccc(C)cc1 1875136596 RAZPYZRADDCBTG-LFIBNONCSA-N 426.512 6.156 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2F)c(Cl)c1)c1ccc2c(c1)OCCO2 1875146270 MHSIFCDCPNAGDY-VMPITWQZSA-N 438.838 5.366 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)C(C)C)c(Cl)c2)cc1 1875159099 BONOWYHWRVIWMA-OQLLNIDSSA-N 442.983 7.147 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1C 1875168562 JMLXAOLFPZIIOS-VGOFMYFVSA-N 429.472 5.944 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1ccc(C)c(C)c1 1875170166 KHORSUFFFWSJEY-FMIVXFBMSA-N 442.555 6.661 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc(Br)c1OC(C)=O 1875189918 MADQHTKOIQJVSJ-BQYQJAHWSA-N 447.325 5.295 30 10 IKEE C=C(C)CN(Cc1ccccc1)C(=O)c1cc(Br)c(Br)s1 1914551075 NZZNSTNGCNLJMM-UHFFFAOYSA-N 429.177 5.492 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2cccc(C)c2Br)c1 1927301888 GYVCBZDUVQESAA-SFHVURJKSA-N 431.330 5.773 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@](CC)(NC(=O)OC(C)(C)C)C(F)(F)F 1950500448 CNXISVQJFASSBE-KNQAVFIVSA-N 444.538 5.363 30 10 IKEE CCCCCCCC[C@@H](C(=O)O)N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 1995348965 FZENDSQGOHMCHZ-SANMLTNESA-N 449.591 6.604 30 10 IKEE C=CCCCC[C@@H](NCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2009486846 JVVMNFGYBSXJBD-BVAGGSTKSA-N 430.633 5.555 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CN(C(=O)OC(C)(C)C)C12CCC2 2015374273 VGBZMJCOBKTNOS-DEOSSOPVSA-N 427.545 5.172 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C)([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)C1 2022134691 LYUZOWDQWLDSMX-MBSDFSHPSA-N 449.979 5.621 30 10 IKEE COc1cc(C=C2CCc3ccccc3C2=O)ccc1OCC(=O)Nc1ccccc1Cl 2040454791 GBUSOKAPJFIHFR-UHFFFAOYSA-N 447.918 5.579 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)CC23CC3)cc1 2065973715 QALYCAPACINEKE-RUZDIDTESA-N 441.572 5.420 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccccc1 2072713295 QOVLLZGFUBNADZ-LJQANCHMSA-N 428.326 5.074 30 10 IKEE CC[C@@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(C)C)c(C=NO)c1Br 2079896228 GDELBTMPXCZBMK-AWEZNQCLSA-N 436.247 5.734 30 10 IKEE CCOc1ccc([C@H](n2nc(C(F)F)c(C=NO)c2Br)C(C)(C)C)cc1 2080120376 ZTLMYTFZRLZBMX-HNNXBMFYSA-N 430.293 5.426 30 10 IKEE CC(C)c1c(C(F)(F)F)nn2c(Cl)cc(-c3c(F)c(F)c(F)c(F)c3F)nc12 2081358253 PZYCEKWLVPDPGO-UHFFFAOYSA-N 429.698 5.887 30 10 IKEE Cc1ccc(-c2c(C3CCCCC3)nn3c(Cl)c(C#N)cnc23)c(Br)c1 2081421372 KJMWDKNVWWLMKT-UHFFFAOYSA-N 429.749 6.040 30 10 IKEE Cc1sc([C@@H](C#N)C(=O)CSc2ccccn2)nc1-c1ccc(Br)cc1 2084273035 VWJGHPXKRGFLMU-HNNXBMFYSA-N 444.379 5.245 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@@H](C#N)c1cc(Cl)cc(Br)c1 2088227074 DYHDCZZPQMQJSJ-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE CC1(C)OB(c2ccc(Cl)c(NC(=O)c3scc(Cl)c3Cl)c2)OC1(C)C 2152513828 OYBWWDLDYXMAHF-UHFFFAOYSA-N 432.565 5.260 30 10 IKEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNc2cc(Br)cc(C#N)c2)cc1 2162316759 RKWRDRGBZAMXJY-CQSZACIVSA-N 430.346 5.519 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](CNc2cccc(Br)c2C#N)CC12CCC2 2176864092 YQOYFABACKEJDE-HNNXBMFYSA-N 434.378 5.302 30 10 IKEE C#C[C@@H](NC(=O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1)C1CCCCC1 2203788905 FAOHKQRSNDLHJF-QGZVFWFLSA-N 435.362 5.108 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)cc(F)cc1Br 2233954898 IBFFDXDJFSZQDR-SJLPKXTDSA-N 445.348 5.075 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2cc(C)cc(Br)c2)cc1 2237248323 IRWXIZCXUUNXKB-IBGZPJMESA-N 431.330 5.773 30 10 IKEE C#CCC[C@H](OCCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2262884392 ZTQQPOROTCFHHT-SANMLTNESA-N 429.560 5.665 30 10 IKEE O=C(C#Cc1cccc(Br)c1)c1cc(Br)ccc1Br 2278737662 MYHOJIOGGNVNQH-UHFFFAOYSA-N 442.932 5.209 30 10 IKEE C[C@@H](C(=O)C#Cc1cccc(Br)c1)c1ccc(NC(=O)OC(C)(C)C)cc1 2296215448 AGNDFMIEAIAFPX-OAHLLOKOSA-N 428.326 5.520 30 10 IKEE O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2ccccc2)C1=C(O)C=Cc1ccccc1 2296256027 PGNHDAYBGSOACL-HSZRJFAPSA-N 449.428 5.888 30 10 IKEE Cc1nc(N2C(=O)C(=O)C(=C(O)c3ccccc3)[C@H]2c2ccc(C(C)(C)C)cc2)sc1C 2297057285 XFPDXDFVYXJGAY-OAQYLSRUSA-N 446.572 5.684 30 10 IKEE CCCN[C@@H](C#Cc1nc(C)cs1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2300824166 KVHNOYFVKCGHIS-JOCHJYFZSA-N 441.641 5.389 30 10 IKEE Cc1ccc(-c2ccc(C=CC(=O)Nc3ccc(C4(C#N)CCCC4)cc3)o2)cc1Cl 2313958547 XOIDBGBOALBWAT-UHFFFAOYSA-N 430.935 6.896 30 10 IKEE C=CCOC(=O)C=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 2314014264 MVNQAUHVHOQNLB-UHFFFAOYSA-N 442.136 6.077 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)c1c(OC)cccc1OC 2314430159 XPDTZNJBRHKILX-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE O=C(C=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1)c1ccc(-c2ccc(F)cc2)o1 2314480955 YIOWZMRGLDMUQV-UHFFFAOYSA-N 427.258 7.549 30 10 IKEE CCCSc1nnc(C2CC2)n1N=Cc1c(OCc2ccccc2)ccc2ccccc12 2320867881 CTDSVUUWUUUQLX-UHFFFAOYSA-N 442.588 6.272 30 10 IKEE C[C@@H]1[C@@H](C)[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)CCN1C(=O)OC(C)(C)C 2321321312 MMUGEFJLYPORBW-MPCDZSKCSA-N 449.636 5.874 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccccc1Cl)O3)CN(C1CCCCCCC1)CO2 2322178958 SOCZRISMLCLMIZ-UHFFFAOYSA-N 437.967 6.529 30 10 IKEE CCOc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2cccc(C)c2)C4)cc1 2322218131 WFLARXVKDAKTEV-UHFFFAOYSA-N 441.527 5.670 30 10 IKEE CCCN(CCC)C(=O)COc1ccccc1C=CC(=O)c1ccc(Br)cc1 2322416430 HVUIVYIQMOBGBV-UHFFFAOYSA-N 444.369 5.373 30 10 IKEE CCc1ccc([C@H](C)N2COc3c(cc4c(c3C)OC(=Cc3ccccc3)C4=O)C2)cc1 2322455443 CYPYMEVSGDDCPI-IBGZPJMESA-N 425.528 6.087 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cc(Cl)ccc2OCc2cccc3ccccc23)c1 2322617378 OKOCWFUBRVHMBP-UHFFFAOYSA-N 426.943 7.585 30 10 IKEE CCc1ccccc1NC(=O)COc1ccccc1C=CC(=O)c1cc(C)ccc1OC 2322638211 RALCHCKHXRSACV-UHFFFAOYSA-N 429.516 5.480 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccccc2OCc2nc(O)c3ccccc3n2)cc1 2322681173 MNSPZEWRUQHJQM-UHFFFAOYSA-N 438.527 6.108 30 10 IKEE C=C(C)COc1c(OC)ccc(C=CC(=O)c2ccc3ccccc3c2)c1Br 2323047622 MJTWVKZXGFKMMB-UHFFFAOYSA-N 437.333 6.462 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1OCc1ccc([N+](=O)[O-])cc1 2323259212 WLUHBTZWJBHTOT-UHFFFAOYSA-N 445.515 6.312 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1 2323345164 RBQUGEWFWMTHLB-UHFFFAOYSA-N 447.534 6.576 30 10 IKEE CCN(Cc1ccccc1)c1ccc(C=Nn2c(S)nnc2Cc2ccccc2)cc1 2323511239 GCKZVTMQVOMZSL-UHFFFAOYSA-N 427.577 5.066 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Br)c2)cc(Br)c1OC 2323666297 ODVBRKWRLRQAIP-UHFFFAOYSA-N 440.131 5.515 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OCC(=O)Nc2c(C)cccc2C)c(Cl)c1 2323701434 MZZLPQJUHCSPAS-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE Cc1cc(OC(=O)CCc2ccccc2)cc2c1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)O2 2323721305 HZXFDEUEXCHMDY-UHFFFAOYSA-N 429.428 5.058 30 10 IKEE CCOc1cc(OCC)c([N+](=O)[O-])cc1C=NNc1nc(-c2ccc(C)cc2C)cs1 2323854277 DPYZIDOSHBAAIP-UHFFFAOYSA-N 440.525 5.579 30 10 IKEE C[C@H]1C[C@@H](C)CN(Cc2c(O)ccc3c2OC(=Cc2c(Cl)cccc2Cl)C3=O)C1 2324048182 RALNECPFVYSYQR-OKILXGFUSA-N 432.347 5.793 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(OC)c1OCc1ccc(C)cc1 2324156508 SDGCPYCBRBLTMD-UHFFFAOYSA-N 430.544 6.611 30 10 IKEE COc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccc(C)cc4)cc(C)c3C2=O)cc1 2324373393 MBDJGNNZEPDWPX-GOSISDBHSA-N 443.499 5.334 30 10 IKEE COc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)c(OC)c1 2324406268 AKKPYOWVIRLBPK-IBGZPJMESA-N 434.517 5.034 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc(F)cc3)c(Cl)c2)cc1Cl 2324610084 KQTUUAFYNOBMII-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE CC(C)(C)c1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 2324611702 OBAFMTSSCDIOLI-QHCPKHFHSA-N 442.628 7.295 30 10 IKEE Cc1c(OCC(C)C)ccc2c1OC(=Cc1cc(Br)cc3c1OCOC3)C2=O 2324630817 FPQPVZGDXIDZGP-UHFFFAOYSA-N 445.309 5.275 30 10 IKEE CCOC(=O)CCOc1cc(C)c2c(c1)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2324651947 LCACFEGWYRBXPE-UHFFFAOYSA-N 428.484 5.610 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1Cl)C2=O 2325196297 PIBVVUIPSFYCPX-UHFFFAOYSA-N 448.346 5.637 30 10 IKEE Oc1ccccc1C=Nn1c(CCc2ccccc2)nnc1SCc1ccc(F)cc1 2325440419 NXJGAOZBAKBVKX-UHFFFAOYSA-N 432.524 5.083 30 10 IKEE CC1CCN(c2ccc(NC(=O)C(=O)C=Cc3ccc(F)c(Br)c3)cc2)CC1 2325610221 AYJNTEPRVVFBEL-UHFFFAOYSA-N 445.332 5.046 30 10 IKEE CCn1cc(C=C2Oc3cc(OCCN4CCCCC4)cc(C)c3C2=O)c2ccccc21 2325701439 MRPCFVZWEFIMMB-UHFFFAOYSA-N 430.548 5.451 30 10 IKEE CC1CCN(c2ccc(NC(=O)C(=O)C=Cc3ccc(Br)cc3F)cc2)CC1 2325702564 MSXGVVZKVRBUQQ-UHFFFAOYSA-N 445.332 5.046 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)COc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O 2325723303 WOBIJALKOMKRHH-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE CCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1N=Cc1sccc1C 2325808807 BXZZFPSKABLBIQ-UHFFFAOYSA-N 449.045 5.924 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(OCC)c(Cl)c1 2326272628 BVYFOICYNQPTRB-UHFFFAOYSA-N 446.979 5.986 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(OC(C)(C)C)cc1 2326552191 ARLLQCZIHLTXIK-UHFFFAOYSA-N 443.016 6.236 30 10 IKEE CCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1cn(CC)c2ccccc12 2326823495 MYRMLUQITDIDTI-UHFFFAOYSA-N 448.552 5.288 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1cn(C)c2ccccc12 2327576061 XRJYBJQDUHHUSS-UHFFFAOYSA-N 439.972 5.387 30 10 IKEE Cc1cccc(CSc2nnc(Cc3cccc4ccccc34)n2N=Cc2ccccc2)c1 2327734871 BATBSCHRKVXNLO-UHFFFAOYSA-N 448.595 6.505 30 10 IKEE Cc1cccc(OCc2nnc(SCc3ccccc3)n2N=Cc2ccc(F)cc2)c1C 2328846878 GKOKSEUIXYWERY-UHFFFAOYSA-N 446.551 5.788 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccc(C)cc3)n2N=Cc2cccs2)cc1 2329242406 RMIMMZMTVKLXFH-UHFFFAOYSA-N 434.590 5.422 30 10 IKEE Cc1ccc(O)c(C=Nn2c(Cc3ccccc3)nnc2SCc2cccc(Cl)c2)c1 2330508998 IJYKQCRUTQLERC-UHFFFAOYSA-N 448.979 5.711 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)c(OC)c2)c1 2330800196 CGSNCEYKPRUFTC-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE CCCOc1ccccc1C=Nn1c(CC(C)(C)C)nnc1SCc1ccccc1C 2330808031 IVZIAFHRJJJPCR-UHFFFAOYSA-N 436.625 6.138 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2)ccc1OC(=O)Cc1cccs1 2330874424 NLGVEQJUVRFWQI-UHFFFAOYSA-N 436.529 5.508 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)ccc1OC(=O)CSc1ccccc1 2330950801 JRVTXDSFLJZYIA-UHFFFAOYSA-N 438.932 5.942 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2331077935 RZUAVIMGSFLFQC-UHFFFAOYSA-N 447.443 5.117 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3OC)cc2)cc1 2331189882 QYBZDTYQORSLAD-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(C)c3)cc2OC)cc1 2331350637 IPXCSPMMOTZCTG-UHFFFAOYSA-N 446.518 6.139 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OC(=O)C1CCC1 2331417639 GPFIQYWWOBCYBS-UHFFFAOYSA-N 440.967 6.638 30 10 IKEE CC(C)Cc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(O)cc1 2331462827 VIUYODIZOFRVLA-UHFFFAOYSA-N 435.380 5.664 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2ccc(OC(=O)c3cccc(F)c3)cc2)cc1Cl 2331804838 RMFZIDYSLLOVJH-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE CCC(CC)(CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339538381 ZVTNMTUUPDCFMT-UHFFFAOYSA-N 445.413 5.222 30 10 IKEE Cc1ccc(OCCCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c(Br)c1 1984342 GXGSPDNPYXZMSB-CQSZACIVSA-N 447.398 5.613 30 10 IKEE C=CCn1c(SCCOc2ccc(C)cc2)nc2scc(-c3ccc(C)cc3)c2c1=O 8950553 FIXIFCJLUVMYGC-UHFFFAOYSA-N 448.613 6.099 30 10 IKEE COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(-c4ccc(Cl)cc4)c32)cc1 9152918 LWOYRPHWLYYKAS-FQEVSTJZSA-N 433.939 5.939 30 10 IKEE C=CCOc1ccc(NC(=O)COc2c(Cl)cc(Cl)cc2Br)cc1 9779423 BFBXSFPJQOMIIQ-UHFFFAOYSA-N 431.113 5.338 30 10 IKEE CCCCCSc1nc2n(n1)[C@@H](c1ccc(Br)cc1)C1=C(CCCC1=O)N2 9942368 KQQLEXWUKMHFIH-SFHVURJKSA-N 447.402 5.345 30 10 IKEE CCc1ccc(S(=O)(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)cc1 21722831 IAXIKTUSNGNIFA-RUZDIDTESA-N 448.544 5.211 30 10 IKEE CC1=C(C(=O)Nc2cccc(F)c2)[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 27547167 IMHRVJQTZDTWAW-JOCHJYFZSA-N 438.930 5.722 30 10 IKEE C/C(=C1/S/C(=N/c2nnc(C)s2)N(c2ccccc2)C1=O)c1ccc(Cl)cc1 39866475 UGAFVAMNMNRMIN-RORPNGENSA-N 426.954 5.699 30 10 IKEE C=CCOc1ccc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2CCCC)cc1 39913212 XDNOWGZEHGQZAB-JOCHJYFZSA-N 437.923 5.665 30 10 IKEE C=CCc1ccccc1OCCCCn1c([C@H](C)Oc2ccccc2)nc2ccccc21 40236286 BUOFADIJIQANAD-QFIPXVFZSA-N 426.560 6.764 30 10 IKEE CCOc1ncnc(Nc2cc(Cl)c([C@@H](C#N)c3ccc(Cl)cc3)cc2C)c1N 40688765 XRFZLRLRNOBZTR-INIZCTEOSA-N 428.323 5.472 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O3)CN([C@H](C)c1ccccc1)CO2 41645971 VXCWOBSWVBTAQC-SUVVMJBMSA-N 442.471 5.433 30 10 IKEE CC(=O)/C(=N/Nc1cccc(Cl)c1)Sc1ncc(-c2ccccc2)n1-c1ccccc1 59121442 GSYQBUWLNMTPGC-NFFVHWSESA-N 446.963 6.299 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2cccc(C(=O)N(CCC)CCC)c2)cc1 59853750 VFPNLWDBDGFVNQ-UHFFFAOYSA-N 438.612 6.550 30 10 IKEE CCCCCCCCCCOc1ccc(C2=N/C(=C\c3ccc(Cl)cc3)C(=O)O2)cc1 97997722 NNULKDGWZUHJGQ-CLCOLTQESA-N 439.983 7.204 30 10 IKEE CCCCCCCOc1cccc(NCC(=O)Nc2cccc(C(=O)NCCC)c2)c1 100090305 QDMXNKLJGPROAC-UHFFFAOYSA-N 425.573 5.226 30 10 IKEE Cc1ccc(C(=O)O/N=C2\C[C@@]3(C(=O)Nc4cccc(Cl)c4)CC[C@@]2(C)C3(C)C)cc1 100965418 QUPKBIUCFCDEDI-ONSPKLCJSA-N 438.955 6.016 30 10 IKEE CCCCCCCCCCCCn1c(CCCNC(=O)c2ccccn2)nc2ccccc21 102110031 AEJZNHVINDLDID-UHFFFAOYSA-N 448.655 6.715 30 10 IKEE CCCCCCCCCCCCCCCCCCn1c(C(C)(C)C)nc2ccccc21 102194376 XEJFZXZPFHPPJQ-UHFFFAOYSA-N 426.733 9.595 30 10 IKEE Cc1ccc(CN2c3ccccc3C(=O)/C(=C/Nc3cccc(Cl)c3)S2(=O)=O)cc1 105285732 MKKAOHKLYVIWRW-HMAPJEAMSA-N 438.936 5.135 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/Nc2ccc(OC)c(Cl)c2)cc1OC 169877157 NIDSITGLGOMXDB-NLRVBDNBSA-N 432.992 6.933 30 10 IKEE CCCCCCCCCOc1ccc(-c2nc3cc(OC)c(OC)cc3[nH]2)cc1OCC 169941233 FMPPZWVHZYMGBZ-UHFFFAOYSA-N 440.584 6.775 30 10 IKEE CCCCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccccn2)cc1 169993672 LMEVIDRBNUKJRK-XMMPIXPASA-N 442.515 5.216 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccccc2)c1 170047094 SFFXOXWPVHKFCJ-XMMPIXPASA-N 427.500 5.567 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2cccc(O)c2)cc1 170081125 KPGXXDOXYXENLG-JOCHJYFZSA-N 449.890 5.227 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@@H]2c2ccco2)cc1C 170090945 XLSXGWNJZHKZDG-HSZRJFAPSA-N 445.515 5.677 30 10 IKEE Cc1[nH]c2ccccc2c1[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1Cc1ccco1 170104011 NDADNLSKPVWXPG-JOCHJYFZSA-N 446.890 5.501 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(C)c2)cc1 170148612 GPEKTNCIIPSDKW-VWLOTQADSA-N 447.575 6.085 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(C)c2)cc1C 170148687 NXLODQALYBOMHG-XMMPIXPASA-N 433.548 5.613 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1cccnc1)c1ccc2c(c1)CCCC2 170188474 GQIMWISRIDTSEV-HSZRJFAPSA-N 444.918 5.397 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1cccnc1)c1ccc2c(c1)CCCC2 170188477 GQIMWISRIDTSEV-QHCPKHFHSA-N 444.918 5.397 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2C2CCCC2)cc1 170214687 JUGZGNHPVBRPGE-QHCPKHFHSA-N 431.488 5.352 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@@H]1c1ccc(Cl)cc1 170236681 HKTVJMZSLQZRSM-FQEVSTJZSA-N 448.346 5.771 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2OCC)[C@@H]1c1ccc(CC)cc1 170267911 DGQDTSJGHZOMTD-QHCPKHFHSA-N 437.536 5.035 30 10 IKEE CCOC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccc(C)c2)c1 170344022 MLPRVZIIYVMMNZ-NRFANRHFSA-N 447.512 5.016 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1c1cc(Cl)cc(Cl)c1 170397810 GDBJRUDZFKHHCR-IBGZPJMESA-N 444.339 6.146 30 10 IKEE COc1cc(C=Nc2cccc3ccccc23)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 252627119 RNBUMJQTGZZVIV-UHFFFAOYSA-N 443.415 6.208 30 10 IKEE C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C/c1ccc(C(F)(F)F)cc1)C2=O 254296749 LJQHVTRFOZQNII-ZYVDKDDRSA-N 444.537 6.592 30 10 IKEE O=C(CSc1cccc(N=Cc2cccnc2Cl)c1)Nc1cccc2ccccc12 254482904 GVHRYHVQSCSEIP-UHFFFAOYSA-N 431.948 6.370 30 10 IKEE CCN/C(S)=N/N=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 254483029 NNQNRYRVBVWMBP-XMMPIXPASA-N 427.577 5.272 30 10 IKEE 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@@H]3CC[C@@]21C 254620099 KAIVGEVOBNIWLR-BJSBBKTCSA-N 428.657 5.705 30 10 IKEE endogenous,in-man CC[C@H]1CCc2c(sc(N=Cc3ccc(Cl)cc3)c2C(=O)NC2CCCCC2)C1 254744889 ZRNPRINBFFCLDN-INIZCTEOSA-N 429.029 6.730 30 10 IKEE CC(CCc1oc2ccccc2c1-c1ccc(C)o1)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254752740 ZJLOVFYQNIAMQS-UHFFFAOYSA-N 448.435 6.238 30 10 IKEE Cc1ccc(SC2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccccc3Cl)C2=O)cc1 526663581 XIELDRIBFSDTNV-UHFFFAOYSA-N 445.931 5.509 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1cccc(OCC)c1 526815474 YEWKFWMIWDCORL-CFRMEGHHSA-N 449.407 6.111 30 10 IKEE N#Cc1ccc(CN(Cc2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(F)cc2)cc1 586121732 CSOJZHOVMUICDL-UHFFFAOYSA-N 448.441 5.107 30 10 IKEE Cc1cc(C)cc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 586252760 MLOZAEOQIRKPEQ-UHFFFAOYSA-N 432.589 5.868 30 10 IKEE COc1ccc(F)cc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 698460023 XOJAEONPUOLXBE-KRWDZBQOSA-N 435.293 5.603 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1ccc(C(F)F)cc1 698496169 GROMZESHTXJTEC-QGZVFWFLSA-N 437.284 6.393 30 10 IKEE C[C@@H]1[C@H]2CC[C@@H](C[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCC1)N2C(=O)OC(C)(C)C 709330441 KOSSIGKNTBVXTL-HOBQYKGVSA-N 433.593 5.236 30 10 IKEE O=C1/C(=C\c2ccc(N3CCCC3)o2)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 1084557437 SKLHHUMOFMMMLT-LQLRGMOSSA-N 443.572 5.553 30 10 IKEE CCOc1ccc(/C=C2\SC(=Nc3nccs3)N(C3CCCCC3)C2=O)cc1OC 1772735628 RAGKHIJFUYQSCV-NSMWAFFQSA-N 443.594 5.487 30 10 IKEE CCN1C(=O)/C(=C/c2cccc(OCc3ccc(C)cc3)c2)SC1=Nc1nc(C)cs1 1772736473 UOTCPNLLTPOOMJ-AFKZWVQSSA-N 449.601 5.963 30 10 IKEE CCCCCn1c(O)c(N=Nc2ccccc2C(=O)c2ccccc2)c(C)c(C#N)c1=O 1772741270 CXFMZUISFQYUNP-UHFFFAOYSA-N 428.492 5.571 30 10 IKEE N#Cc1ccccc1NC(=O)Oc1cccc2c(NC(=O)c3ccc(Cl)cc3)cccc12 1858771627 SOTJGNCWOALKEB-UHFFFAOYSA-N 441.874 6.228 30 10 IKEE CCCCCCCOc1cccnc1NC(=O)NCCc1ccc(OCC)c(OCC)c1 1858798684 AZSBFQRAZVDQDM-UHFFFAOYSA-N 443.588 5.592 30 10 IKEE N#Cc1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2Cl)n(-c2ccccc2)n1 1859406321 QHQOZQBMZWTHOQ-UHFFFAOYSA-N 433.298 5.970 30 10 IKEE CCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)Cc1cc(Cl)ccc1SCC 1861009906 FNRUYAMAUIDSAA-FQEVSTJZSA-N 439.065 5.462 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2cc(C)ccc2OC)n(Cc2ccccc2Cl)n1 1862350735 RCLLMJRMZZJXNQ-UHFFFAOYSA-N 435.955 5.383 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(C(F)(F)F)cc1 1862405513 CTPLAKUMHTXTDD-HXUWFJFHSA-N 447.453 5.401 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2[C@@H](C)CC)c1 1862436904 FDTOSFKDQAANIV-BTYIYWSLSA-N 427.928 5.506 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(C(F)(F)F)cc1 1862444085 SVFRLYSIXIPGSJ-KZULUSFZSA-N 437.845 5.736 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccc(Cl)c1)c1cccc(Cl)c1 1862446158 MERVWYFPZHTFAN-IBGZPJMESA-N 428.271 5.365 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(O)c(OCC)c1 1862479923 SWGUQQZFXKXWNE-QHCPKHFHSA-N 437.536 5.258 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccccc2)cc1 1862487293 XNNSWDWATWROQN-VWLOTQADSA-N 425.528 5.433 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(C)cc1 1862507628 QCCXFNVYXPVJAC-QPPBQGQZSA-N 437.555 6.380 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1cccc(OC)c1 1862557739 OUGGGEKLLUEODQ-REWPJTCUSA-N 436.552 5.215 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCc2cccs2)cc1 1862561462 UGZJMFVPIDGRMB-HSZRJFAPSA-N 446.572 5.275 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(C(C)C)cc1 1862608953 ZPWDVEYOLDBZSS-XMMPIXPASA-N 449.547 5.206 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccc(O)cc2)cc1 1862650240 QWGOKYLFWOPDCY-AREMUKBSSA-N 449.506 5.632 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(O)cc1 1862650538 YDLKUQJKSOIUMX-HGMMTPDKSA-N 441.527 5.702 30 10 IKEE CCOc1cc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2[C@@H](C)CC)ccc1O 1862656204 YUWGOCSBJDZBBI-FYSMJZIKSA-N 445.515 5.321 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1F 1862675184 DCASCNXAZCKAPB-XFPJRNFQSA-N 429.438 5.261 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCc2ccccc2)cc1 1862675624 POOBLEVJMXEEOE-DEOSSOPVSA-N 445.490 5.045 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862691647 RFQDFLKTZQEKQU-QFIPXVFZSA-N 444.512 5.017 30 10 IKEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccccc2)cc1 1862730687 CECBBNULTXWEOI-XMMPIXPASA-N 433.548 5.777 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(Cl)cc3)C2=O)c(C)c1 1862796783 GBUKHNFBDCHNID-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CCc1ccc(NC2=C(c3cccc4ccccc34)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862849418 NNTJWBIFYSPGGN-UHFFFAOYSA-N 443.506 5.670 30 10 IKEE Cc1cc(NC2=C(c3ccccc3F)C(=O)N(c3ccccc3C#N)C2=O)ccc1C(C)C 1862934418 RPLSGQKETNWREW-UHFFFAOYSA-N 439.490 5.526 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccccc3C#N)C(=O)N(c3cccc(Cl)c3C)C2=O)c1 1863019918 PLWHBGPCSGKAIG-UHFFFAOYSA-N 441.918 5.534 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccccc3Cl)C2=O)cc1C 1863069404 MUHWTFJKPFLEJN-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2cc(C)ccc2C)=C(c2ccc(F)cc2)C1=O 1863507845 ILAREHZSHMLDDZ-UHFFFAOYSA-N 436.571 5.673 30 10 IKEE CC(C)[C@H](CC(=O)N[C@H](C(=O)Nc1ccc(C#N)cc1)c1ccccc1)c1ccc(F)cc1 1866749751 YEOCBKRITZZTCS-AHWVRZQESA-N 443.522 5.323 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC(C(=O)c3c[nH]c4ccccc34)CC2)nc(C(C)C)n1 1869105357 GEYGCDFNAWDQCF-UHFFFAOYSA-N 443.595 5.359 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3nc[nH]c3[C@H]2C(C)C)nc(-c2ccc(Cl)cc2)n1 1869268282 OAPUTGCOQVGKKV-XMMPIXPASA-N 449.002 5.458 30 10 IKEE Cc1ccc(SCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCCCCO)cc1 1870232611 BDXSWGLSDSYKKM-UHFFFAOYSA-N 448.588 5.062 30 10 IKEE Cc1ccc(SCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2Cc2ccco2)cc1 1870233119 WPMZXLRJJIMVSI-UHFFFAOYSA-N 442.540 5.541 30 10 IKEE CCCCCCCCn1cc(OCCOc2cccc(C)c2)c(=O)cc1CN(CC)CC 1870771016 KOFSDHCTJQSXBL-UHFFFAOYSA-N 442.644 5.817 30 10 IKEE C=CCOc1cn(CCc2ccc(C)cc2)c(CNc2ccc(C(C)(C)C)cc2)cc1=O 1870809728 SAMUPVUHVXIMGM-UHFFFAOYSA-N 430.592 5.874 30 10 IKEE C=CCOc1cn(C[C@@H](O)c2ccc(Cl)cc2)c(CNc2cccc(C)c2C)cc1=O 1870812976 QPXPCFVRUIQFSN-XMMPIXPASA-N 438.955 5.029 30 10 IKEE CCCCCCCOc1cn(CCCO)c(CNc2ccc(OCCCC)cc2)cc1=O 1870837384 CTCVYFZMVPFARA-UHFFFAOYSA-N 444.616 5.371 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(C(C)C)cc1)C3=O)CN([C@H]1CCCC[C@@H]1C)CO2 1871355885 LCRIFPUGZIUUFC-ZHOCAWCCSA-N 431.576 6.465 30 10 IKEE Cc1c(OC(=O)/C=C/c2ccc(F)cc2)ccc2c1O/C(=C\c1cccc(Cl)c1)C2=O 1871366213 YLHDHXACFHBEIW-BWXIOLLUSA-N 434.850 6.023 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(ccc(O)c3CN3C[C@H](C)C[C@@H](C)C3)C2=O)cc1 1871396697 RJAXDGXUPWLWCK-MQLUCGEPSA-N 434.580 5.333 30 10 IKEE Cc1c(OCCCOc2ccccc2)ccc2c1O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 1871398316 OFAFLJDWJCURQI-XHPQRKPJSA-N 442.555 6.757 30 10 IKEE Cc1ccccc1OCCCCOc1cc(C)c2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O 1871404590 KXMQKARGQZHONG-XYGWBWBKSA-N 448.946 6.811 30 10 IKEE CC[C@@H](Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O)C(=O)Nc1cc(Cl)ccc1C 1871425450 FTNPNKSCXKLFRJ-CXFFPLRNSA-N 437.879 5.654 30 10 IKEE CCCCCCCCCOc1ccc2c(=O)c(-c3ccc(OC)cc3)c(C3CCC3)oc2c1 1871429384 FGEFXWONQINNMF-UHFFFAOYSA-N 448.603 7.866 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(N(CC)CC)cc2)[nH]c(N(C)C)n1 1871697975 QGWHKKCMIFCLPE-UHFFFAOYSA-N 441.668 5.502 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(C)c(C)c1 1872407830 OBSVJFBAWZMRAA-DEOSSOPVSA-N 442.625 5.232 30 10 IKEE C=CCN([C@@H](C(=O)Nc1cc(Cl)ccc1C)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872453986 PFDKWFUMHBBXIV-JOCHJYFZSA-N 449.016 5.105 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)cc1C)[C@@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872549984 XOBOYVUQMBFHRM-FDDCHVKYSA-N 446.588 5.063 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OCC(C)C)cc3)n2)cc1 1872765924 ZPZCIFSRGHTHMM-HSZRJFAPSA-N 432.589 6.678 30 10 IKEE N#C[C@@H](C(=O)c1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872769331 PHPXWBGAFWNJNG-NSHDSACASA-N 442.154 6.914 30 10 IKEE COc1cc(/C=C/C(=O)[C@H](C#N)c2nc(-c3cc(C)ccc3C)cs2)ccc1OC(C)=O 1872772724 RCMUDSLIMFSFQU-JCOOBLOPSA-N 446.528 5.251 30 10 IKEE COc1cc(OC)c(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)nc3)n2)cc1Cl 1872782227 HLQVBJGEKZSDBY-LBPRGKRZSA-N 434.304 5.019 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2C)C(=O)N(CCCCN(C)C)C1=O 1873102340 OVODUQPAOHRBKS-UHFFFAOYSA-N 441.660 5.147 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccccc2F)=C(c2cc(F)cc(F)c2)C1=O 1873110916 UJCITYNVDFGTLN-UHFFFAOYSA-N 444.497 5.334 30 10 IKEE C=CCn1c(C(=O)Nc2ccccc2C(C)C)cc2c(NCc3ccccn3)ncnc21 1873633360 OJWBEZSJLCABDR-UHFFFAOYSA-N 426.524 5.000 30 10 IKEE C=CCSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1ccccc1Cl 1874209061 ACXYTBYAGSXVDI-LPYMAVHISA-N 447.789 5.445 30 10 IKEE CCCSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1ccc(CC)cc1 1874223800 DHLLMPKJWICBFH-LGUFXXKBSA-N 436.625 5.799 30 10 IKEE CSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccc(Cl)c(Cl)c1 1874253185 PAEQIYRNJJUXRJ-AUEPDCJTSA-N 435.380 5.693 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3Cl)n2/N=C/c2ccco2)cc1 1874275766 GNEWFVUUKLQNSW-MFKUBSTISA-N 436.968 5.793 30 10 IKEE CCCCC1CCC(c2nnc(SCC)n2/N=C/c2ccc(OCC)c(OC)c2)CC1 1874285410 ZJRXKUYVWTYROM-KOEQRZSOSA-N 444.645 6.144 30 10 IKEE C=CCSc1nnc(CCc2ccccc2OC)n1/N=C/c1ccc(Cl)c(Cl)c1 1874313849 QNJWULUMRZGDMU-ZVHZXABRSA-N 447.391 5.539 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccco2)cc1C 1874330268 OCYVLEUGNRCSKQ-CVKSISIWSA-N 434.540 5.587 30 10 IKEE C=CCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc(OCCC)cc1 1874342914 PKFMYZBPZSABOJ-LFVJCYFKSA-N 426.973 5.471 30 10 IKEE COc1ccc(Cc2nnc(SCc3cccc(C)c3)n2/N=C/c2ccccc2C)cc1 1874350666 XTERLUCZPDVMLW-WPWMEQJKSA-N 442.588 5.669 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2Cl)cc1 1874367189 QDOJHTJBGGQPQR-WGOQTCKBSA-N 448.979 6.172 30 10 IKEE Cc1ccc(/C=N/n2c(CCc3cccs3)nnc2SCCc2ccccc2)cc1 1874371275 QZKLUESKKQRTCS-XIEYBQDHSA-N 432.618 5.650 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2[C@@H](C)c2ccccc2)cc1 1874392397 KRAJNRBFLITHDC-XLKFHUSGSA-N 426.589 6.221 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CC2CCCCC2)nnc1SCc1ccccc1 1874408158 JMUUWDCSTOABFI-ZXVVBBHZSA-N 446.620 6.140 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2-c2ccccc2)cc1 1874426282 ADIPNOMPTNOUIQ-WGOQTCKBSA-N 432.524 5.657 30 10 IKEE CCOc1cc(/C=N/n2c(SCc3ccc(F)cc3)nnc2-c2ccccc2)ccc1O 1874426733 XVGRYDDOPWBAAU-CVKSISIWSA-N 448.523 5.363 30 10 IKEE CC(C)(C)c1ccc(/C=N/n2c(SCc3ccccc3F)nnc2[C@H]2CCCO2)cc1 1874445193 AWRUWWIWGGRDLH-YNYZQSIGSA-N 438.572 5.741 30 10 IKEE COC(=O)c1ccc(/C=N/n2c(CC(C)C)nnc2SCc2cccc(Cl)c2)cc1 1874491279 IWHJSGAKPFLTDB-ZMOGYAJESA-N 442.972 5.091 30 10 IKEE Clc1ccc(CSc2nnc(C3CC3)n2/N=C/c2ccc(Cl)c(Cl)c2)cc1 1874520427 MCMVSPCKLLBKKP-AUEPDCJTSA-N 437.783 6.290 30 10 IKEE Cc1ccccc1COc1ccccc1/C=N/n1c(S)nnc1COCc1ccccc1 1874562521 BIDCWAVTSGPHGM-CVKSISIWSA-N 444.560 5.053 30 10 IKEE CCN(CC)C(=O)COc1c(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)cc1OC 1874578230 CJUMBFHJQFOIGB-DHZHZOJOSA-N 436.335 5.145 30 10 IKEE Cc1ccccc1COc1ccc(Br)cc1/C=C/C(=O)c1ccc(F)c(F)c1 1874585625 ZWJWVPJESLNIRX-JXMROGBWSA-N 443.287 6.511 30 10 IKEE COc1cc(Br)cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1OCCO 1874591583 RXQCTSXKEXUCQT-GORDUTHDSA-N 446.124 5.032 30 10 IKEE C=CCOc1c(OC)ccc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)c1Br 1874600150 WRABLQBJRRJPEW-VMPITWQZSA-N 437.717 5.581 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(OC)c1OCc1cccc(C)c1 1874613436 UIBLIJOYXZAOHA-OUKQBFOZSA-N 432.947 6.861 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OCc1cccc2ccccc12 1874614122 FXBLHNJKYZDKLA-OQLLNIDSSA-N 428.915 6.977 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OCCc3ccccc3)c(OC)c2)c(C)c1C 1874626754 VGWKETBNVYFBFG-ACCUITESSA-N 446.543 5.847 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cc(Br)c(OC)c(OC)c2)cc1C(C)C 1874627191 LCZZRACGUWBYKM-BQYQJAHWSA-N 433.342 5.803 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)c1C 1874629267 UREOPBCDYQFXAB-PKNBQFBNSA-N 439.382 7.702 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)c(OC)c1 1874631925 BKBFFRMCZXSFEE-XYOKQWHBSA-N 438.907 5.841 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OCc1ccc(F)cc1 1874638000 CUHQYUQJQZCGNR-VZUCSPMQSA-N 445.317 7.006 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(OC)cc3OC)c2)cc1 1874694402 BIOOMGWJVLVGOP-XNTDXEJSSA-N 430.500 5.310 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccccc3OC)c2)cc1C 1874695965 BEMMNKWMSDWFSC-FMIVXFBMSA-N 432.472 5.136 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)COc3c(C)cccc3C)c2)cc1 1874696837 NVSRJAFPIPLAFQ-RIYZIHGNSA-N 446.499 5.201 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2)cc1OC(=O)CCCOc1c(C)cccc1C 1874700793 MTGQELFDDQCRAE-JQIJEIRASA-N 444.527 5.973 30 10 IKEE CCOc1cccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c(C)c3C)c2)c1 1874711548 CAPDXRRIZWHDMC-WYMLVPIESA-N 430.500 5.826 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Br)c(O)c(Br)c2)cc1 1874719166 JYQBGCOLXDEDNH-FPYGCLRLSA-N 426.104 5.212 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccccc2OC)CSc2nnc(C(C)C)n21 1874859178 OIWQKZOHRUNLPT-LJQANCHMSA-N 430.618 5.472 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2cccs2)CSc2nnc(-c3ccccc3)n21 1874934649 JBKJVURLEFCSEQ-IBGZPJMESA-N 440.638 6.069 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 1875101526 TYCWACKPUVCYFX-NTUHNPAUSA-N 433.435 5.341 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Br)c(OC(=O)CC(C)C)c(OC)c2)cc1 1875103285 RHDAPAPXFVFCPJ-DHZHZOJOSA-N 445.353 5.868 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3F)cc2)c(OC)c1 1875120227 IURSDJLWRKOTOB-LFYBBSHMSA-N 438.426 5.026 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3F)cc2Cl)c1 1875120697 GHWNXVJFPUFACJ-UXBLZVDNSA-N 442.845 6.132 30 10 IKEE Cc1ccc(C)c(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2)c1C 1875122906 OEVGVXTZWLFPEC-OVCLIPMQSA-N 434.919 6.146 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)C1CCCC1 1875124945 KEJHHWDNRFGJCQ-JXMROGBWSA-N 434.866 6.009 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2Cl)cc1[N+](=O)[O-] 1875127934 GDDPCWIZDKOGPC-JXMROGBWSA-N 437.835 5.372 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)c1ccccc1C 1875135111 ZYCHDJPCJYMJRN-ACCUITESSA-N 448.946 6.779 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2OC)c1 1875140108 PZWNPGQQNCCQPP-CSKARUKUSA-N 446.499 5.445 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 1875141341 ZIGFXXKRUFZZRL-ZRDIBKRKSA-N 431.444 5.336 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC(=O)c1cccs1 1875151460 LYQOFELUHRMZGB-VQHVLOKHSA-N 448.496 5.329 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)CCCSC 1875156219 PMQQNBPNGIDFBO-KPKJPENVSA-N 446.996 6.417 30 10 IKEE CCCCCCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2)cc1 1875157540 CMYHMSVKTFFJNV-UFWORHAWSA-N 446.518 6.900 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)CSc1ccccc1 1875159008 XHJVLYYHUBMJFU-RIYZIHGNSA-N 436.504 5.818 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccco2)c([N+](=O)[O-])c1 1875183990 CHBJAGRRJFDRBL-DHZHZOJOSA-N 433.460 5.909 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N1C[C@H](C)O[C@@H](C)C1)n2CC(C)C 1875209928 FYMUJYKFOODHMJ-PMACEKPBSA-N 443.636 5.109 30 10 IKEE Cc1ccc(Nc2cc(Nc3ccc(NC(=O)Cc4ccc(C#N)cc4)cc3)nc(C)n2)cc1 1891839864 XWMSWQOYTYUFCA-UHFFFAOYSA-N 448.530 5.634 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C12CCC(CC1)CN2C(=O)OC(C)(C)C 1922077444 NTVOAHBMKSZSCF-JEPVQIMHSA-N 428.617 5.307 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C 1926634432 QFMCLVXKZGGDPX-DQEYMECFSA-N 444.660 5.991 30 10 IKEE C=C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)(c1ccccc1)[C@@H](F)C(=O)O 1927461565 GSABZIWZUIEFJU-JYFHCDHNSA-N 431.463 5.029 30 10 IKEE CCC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(C)cc1 1945773627 PKQKKCGJYSVVSA-ICSRJNTNSA-N 431.577 5.570 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)CC1(C)C 1949593167 APVNHBZQNLPUNN-HSZRJFAPSA-N 449.979 5.763 30 10 IKEE C=C1CCC(C[C@@H](N)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)CC1 1997470766 ZCPLTEPXPMSLJN-ZEQKJWHPSA-N 428.617 5.294 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C12CCC2 2015374331 VRONVCIEWPTCQG-HSZRJFAPSA-N 431.508 5.003 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C12CCC2 2015374334 VRONVCIEWPTCQG-QHCPKHFHSA-N 431.508 5.003 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NC)[C@H](NC(=O)OC(C)(C)C)C1CCC(F)(F)CC1 2016133749 XXACPAWHBYBQDS-NHCUHLMSSA-N 438.559 5.066 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCC[C@H]2NC(=O)OC(C)(C)C)c1 2031459547 SOQKZIAQJLYVSW-NTKDMRAZSA-N 445.560 5.166 30 10 IKEE CCCN[C@]1(C#N)CCC[C@@H]1CCN(CCN(C)Cc1ccccc1)Cc1ccccc1 2034739401 LCOLPSDZWHSZCY-IZLXSDGUSA-N 432.656 5.073 30 10 IKEE O=C(C=Cc1ccc(OS(=O)(=O)c2ccc(Br)cc2)cc1)c1ccccc1 2053528388 KISDMIYGCXSOEN-UHFFFAOYSA-N 443.318 5.113 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3)cc2C=CC(=O)c2ccc(Cl)cc2)cc1OC 2053622240 RGMAHYZLFCSNQQ-UHFFFAOYSA-N 444.918 6.106 30 10 IKEE C=C1C[C@@H]1C[C@H](NC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071343356 CHYFPZVBKBFXNE-CERRFVOPSA-N 429.560 5.432 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@]2(C)CCCN2C(=O)OC(C)(C)C)c1 2076987102 SDTPISOJQYWJIR-CYFREDJKSA-N 445.560 5.118 30 10 IKEE Cc1ccc([C@H](C(C)C)n2nc(C3(C)CC3)c(C#N)c2I)c(F)c1 2079090099 JXVCUNHVMIONOE-INIZCTEOSA-N 437.300 5.104 30 10 IKEE ON=Cc1c(C(F)F)nn([C@H](c2ccc(C(F)(F)F)cc2F)C2CCC2)c1Cl 2079984302 IPEPGFYCZAOTFH-AWEZNQCLSA-N 425.760 5.830 30 10 IKEE Cc1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)sc1Br 2082340387 YWFXNRQQGFDNLE-CQSZACIVSA-N 441.778 6.479 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(C)c1Br)NCC 2087873850 AFIHNMCXKSQXSG-QZTJIDSGSA-N 425.411 5.138 30 10 IKEE N#Cc1cc(NCc2cccc(Br)c2Br)ccc1Br 2092327991 HPOAZMFBTKHWDQ-UHFFFAOYSA-N 444.952 5.458 30 10 IKEE COc1ccc(C)c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)c1 2145975893 MYTJJQLBVDFRIO-LJQANCHMSA-N 431.330 5.773 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)C[C@H]2CCCC[C@]2(C)C1 2154236930 YFUPERFSTXUUCB-NPFVIJTESA-N 433.390 6.443 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1c1ccc(Nc2ccc(C#N)cc2Br)cc1 2162387426 MYDMCCALWVNPBW-LPHOPBHVSA-N 428.330 5.445 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H](Nc1cc(Br)c(C#N)cc1F)c1ccccc1 2179673950 FHNPNDPFSTYDPQ-GOSISDBHSA-N 434.309 5.138 30 10 IKEE CC(C)(C)CN(CCC#N)C(=O)c1ccc(Br)c(NC(=O)OC(C)(C)C)c1 2181053096 JDZRSBBCADKLPF-UHFFFAOYSA-N 438.366 5.198 30 10 IKEE COc1cc(Nc2cc(Br)ccc2C#N)ccc1CNC(=O)OC(C)(C)C 2192917168 DBZOGJSQPLMWSW-UHFFFAOYSA-N 432.318 5.098 30 10 IKEE Cc1sc(C(=O)C=Cc2ccc(NC(=O)OC(C)(C)C)cc2)c(C)c1Br 2226098365 CXKPADORZIAQPC-UHFFFAOYSA-N 436.371 6.371 30 10 IKEE Cc1ccc(I)c(Nc2cc(Br)cc(F)c2C#N)c1 2231911794 VBIPYUOUZMATNH-UHFFFAOYSA-N 431.046 5.117 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Cl)cc(Cl)c1Cl 2235580939 IGXYFLIOTNKFIV-SJLPKXTDSA-N 435.823 6.547 30 10 IKEE C#CCCN(CC(C)(C)C)C(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 2243914863 FHUNVCLCVSEJHU-UHFFFAOYSA-N 446.591 5.202 30 10 IKEE CC(C)(C)N(Cc1ccccc1)C(=O)c1cc(Cl)cc(B2OC(C)(C)C(C)(C)O2)c1 2247780890 GQFLNWSFFFSDOZ-UHFFFAOYSA-N 427.781 5.080 30 10 IKEE N#Cc1ccc(Br)cc1Oc1cc(I)ccc1Cl 2259929864 GBOQWJVRQXLISC-UHFFFAOYSA-N 434.458 5.371 30 10 IKEE Cc1c(Br)sc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)c1C 2265878153 BRLXSIZNMKRTAV-HNNXBMFYSA-N 439.350 6.273 30 10 IKEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)[C@H](C)C(C)(C)C 2267598289 XWSFGDPQJBGCNI-HXUWFJFHSA-N 435.417 5.371 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](O)c1cc(Br)cc(C(C)(C)C)c1 2273004692 FDFDMWURZSXNID-ZWKOTPCHSA-N 426.395 5.640 30 10 IKEE C=CCC[C@@H](C)[C@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2277122339 PMEOSMNJNGXQKY-BTYSJIOQSA-N 445.603 6.463 30 10 IKEE CC1(C)OB(c2cc(Nc3ccccc3OCc3ccccc3)ccc2[N+](=O)[O-])OC1(C)C 2282939923 JUSWAZUDMKWAJD-UHFFFAOYSA-N 446.312 5.217 30 10 IKEE CCN[C@@H](C#CC1CCCCC1)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2289683887 ISYHFZHXNNLBHV-FQEVSTJZSA-N 435.406 6.030 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@H](NC(=O)OC(C)(C)C)[C@H](C)CC 2296290973 JLXUZXQVQIGAHB-AHRSYUTCSA-N 437.422 5.108 30 10 IKEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 2296561942 DHLXSACORIPVNB-QFIPXVFZSA-N 430.504 5.215 30 10 IKEE Cc1cc(N2C(=O)C(=O)C(=C(O)c3ccc(Cl)cc3)[C@H]2c2ccc(C(C)C)cc2)no1 2296564517 CIASECJJAFKZNO-OAQYLSRUSA-N 436.895 5.386 30 10 IKEE C=CCNC(=O)C(=Cc1cccc(Oc2ccccc2)c1)NC(=O)c1ccc(Cl)cc1 2296698661 BCAZJMZWVQRQFY-UHFFFAOYSA-N 432.907 5.205 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OC(=O)c3ccccc3Br)ccc2C1=O 2296868166 ZLUAQRIXKZVWQA-UHFFFAOYSA-N 441.302 5.654 30 10 IKEE Cc1nc(N2C(=O)C(=O)C(=C(O)c3cccs3)[C@H]2c2ccc(C(C)C)cc2)sc1C 2296926904 CAGWHKOMOXFQJN-LJQANCHMSA-N 438.574 5.571 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1 2297319071 AXWIXMAJZRTHCP-PMERELPUSA-N 442.562 7.247 30 10 IKEE COc1ccccc1CN1Cc2cc3ccc(C)c(C)c3nc2SC1=NC[C@H]1CCCO1 2297506927 SYLXODUELMHFDE-JOCHJYFZSA-N 447.604 5.503 30 10 IKEE CC(C)c1ccc([C@H]2C(=C(O)c3ccc(Cl)cc3)C(=O)C(=O)N2c2nccs2)cc1 2297747097 BCDPESCVCNJTCL-IBGZPJMESA-N 438.936 5.546 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(-c4ccccc4)cc3)cc2)c1 2314429589 KMAMZVOJWOOUIO-UHFFFAOYSA-N 434.491 6.478 30 10 IKEE CCCN[C@H](C#CCSC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2314639617 QGUZZFZDUUNKIX-MRXNPFEDSA-N 427.408 5.203 30 10 IKEE Cc1ccc(Cc2nnc(S)n2N=Cc2ccc(OCc3ccc(F)cc3)cc2)cc1 2321968301 JUKCHUVZFJFVDV-UHFFFAOYSA-N 432.524 5.066 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1c(F)cccc1Cl)O3)CN(Cc1ccccn1)CO2 2321968466 NMUYWCRXJIUWIG-UHFFFAOYSA-N 436.870 5.151 30 10 IKEE CCN(CC)C(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc(Cl)cc1Cl 2322391129 NIYZMHGDSQCOGD-UHFFFAOYSA-N 440.754 5.790 30 10 IKEE Cc1ccc(C(=O)C=Cc2c(OCC(=O)NC3CCCCC3)ccc3ccccc23)cc1 2322586312 BYYQTAVLISVJHZ-UHFFFAOYSA-N 427.544 5.872 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@H]3CC[C@H]2N(C(=O)OC(C)(C)C)C3)c1 2322625138 GWYHDFWZCFBARS-RQBNJVACSA-N 441.572 5.418 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2 2322698945 WBACTLUYNSTOJM-UHFFFAOYSA-N 437.835 5.452 30 10 IKEE Cc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(Cl)cc2Cl)C3=O)c1 2322884300 VKOWNCADWXHHEX-UHFFFAOYSA-N 439.294 6.446 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C)c(C)c2)c1OCc1c(Cl)cccc1Cl 2322901070 VEYVZPUIFDAIGV-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C=Cc1cccc(Cl)c1 2323176775 IFNROVUIUIRKNK-DEOSSOPVSA-N 441.015 5.557 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OCc1ccc([N+](=O)[O-])cc1 2323302191 WMGSGXOQNUXSRL-UHFFFAOYSA-N 431.488 6.004 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCc3ccc(Cl)cc3)c2)cc1Cl 2323310131 OIXGMJIAZAMGIL-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE CCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)C=Cc1ccc(Cl)cc1Cl 2323330436 SDLGSBNZKZDQQR-JOCHJYFZSA-N 427.416 5.768 30 10 IKEE Cc1ccc(COc2ccc(C=CC(=O)c3ccc(Cl)cc3Cl)cc2Cl)cc1 2323514946 ZTLRIUIDSWBMGZ-UHFFFAOYSA-N 431.746 7.430 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2323627807 ZHQVLVZNWOAQMZ-UHFFFAOYSA-N 448.858 5.409 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)cc2)cc(OC)c1OCCc1ccccc1 2323647929 GJJSVANQULUQDN-UHFFFAOYSA-N 428.528 5.950 30 10 IKEE Cc1ccc(-c2csc(NN=Cc3cccc(OCc4ccc(Cl)cc4)c3)n2)cc1C 2323840228 BSPWCFNOQROTSY-UHFFFAOYSA-N 447.991 7.105 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)c([N+](=O)[O-])c2)cc1 2323900858 GQBNLVUBUZCOLF-IBGZPJMESA-N 444.487 5.056 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)c1 2324034998 FXGGVMJOIHIHDN-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OCc1cccc(F)c1 2324077822 FMJKTCFPZWYDAI-UHFFFAOYSA-N 440.854 5.692 30 10 IKEE CCCOC(=O)COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc1Cl 2324220656 PLHAOLUYELVZAO-UHFFFAOYSA-N 444.955 5.874 30 10 IKEE Cc1c(O[C@H](C)C(=O)OC(C)C)ccc2c1OC(=Cc1ccccc1Br)C2=O 2324305500 UCHWGFAAMBORRI-CQSZACIVSA-N 445.309 5.093 30 10 IKEE C=CCc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OCc1ccccc1 2324563880 GRUFMGBYYITYGE-UHFFFAOYSA-N 426.556 6.824 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCCCCOc4ccccc4C)c3C)C2=O)cc1 2324598896 AGXLMJFFVFUSKD-UHFFFAOYSA-N 428.528 6.466 30 10 IKEE CCCC[C@@H](Oc1ccc2c(c1)OC(=Cc1ccccc1Br)C2=O)C(=O)O 2324778079 VZUDGKFFOXMTDX-QGZVFWFLSA-N 431.282 5.088 30 10 IKEE CCc1ccc(NC(=O)[C@H](CC)Oc2ccc3c(c2C)OC(=Cc2ccc(C)o2)C3=O)cc1 2324820451 GOARCWUSKAXXJU-QFIPXVFZSA-N 445.515 5.871 30 10 IKEE Cc1cc(OCc2cccc3ccccc23)cc2c1C(=O)C(=Cc1ccc(N(C)C)cc1)O2 2325279335 UPYISAKSRUTNNF-UHFFFAOYSA-N 435.523 6.409 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2cccc(C=CC(=O)c3ccc(Cl)cc3Cl)c2)c1 2325709032 NFWOKDVARCUKDR-UHFFFAOYSA-N 439.338 6.654 30 10 IKEE COc1cccc(C=C2Oc3cc(OCC(=O)Nc4cc(C)cc(C)c4)cc(C)c3C2=O)c1 2325721701 ZDSSNUNZJGRCDQ-UHFFFAOYSA-N 443.499 5.254 30 10 IKEE COc1ccc(C=C2Oc3cc(OCC(=O)Nc4cc(C)ccc4C)cc(C)c3C2=O)cc1 2325740436 HCSBXNBJTFIAOJ-UHFFFAOYSA-N 443.499 5.254 30 10 IKEE O=C(Cc1ccccc1[N+](=O)[O-])Oc1cccc(C=CC(=O)c2cccc3ccccc23)c1 2325749817 UUSUEVKPUYAAPY-UHFFFAOYSA-N 437.451 5.792 30 10 IKEE Cc1ccc(COc2ccccc2C=Nn2cnnc2SCc2ccc(C)cc2)cc1 2326287148 ODWOEWLOPDKYPX-UHFFFAOYSA-N 428.561 5.648 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1c(C)[nH]c2ccccc12 2326417702 YLGKBEBGJDERNS-UHFFFAOYSA-N 431.609 6.202 30 10 IKEE CCCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1cccc(OCC)c1 2326608027 RTMREGWCMDHENW-UHFFFAOYSA-N 444.604 6.000 30 10 IKEE CCCSc1nnc(COc2ccc(OCC)cc2)n1N=Cc1cn(C)c2ccccc12 2326697674 ZQONDIHGUOIMAD-UHFFFAOYSA-N 449.580 5.132 30 10 IKEE CCCCOc1ccc(C=Nn2c(COc3ccc(CCC)cc3)nnc2SC)cc1 2327320649 VCCPGWBHXVQQKA-UHFFFAOYSA-N 438.597 5.593 30 10 IKEE CCCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(O)c(OCC)c1 2327778726 USZBJVSQLUOUGW-UHFFFAOYSA-N 446.576 5.511 30 10 IKEE CCCCC1CCC(c2nnc(SCCO)n2N=Cc2ccccc2OCCC)CC1 2328209779 UHHMEVRFCLXXPW-UHFFFAOYSA-N 444.645 5.498 30 10 IKEE Cc1ccsc1C=Nn1c(CCc2cccs2)nnc1SCCc1ccccc1 2329668907 VQPSEHJVLJBNTR-UHFFFAOYSA-N 438.647 5.712 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccccc3)n2N=Cc2ccccc2F)cc1 2329872708 ZWRCCNPGWJUNBA-UHFFFAOYSA-N 432.524 5.479 30 10 IKEE Cc1ccccc1C=Nn1c(COc2ccccc2)nnc1SCc1ccccc1F 2329918670 HYALZYBADIXGKR-UHFFFAOYSA-N 432.524 5.479 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cccc(O)c1 2330132555 CMOFSQDEOIZCQF-KRWDZBQOSA-N 448.979 5.963 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCCCO)n1N=Cc1c(Cl)cccc1Cl 2330133783 NPPHCBJGVAMUOH-CQSZACIVSA-N 435.380 5.093 30 10 IKEE COc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccccc2C)cc1 2330232712 DDTGAWOWWRMLHX-UHFFFAOYSA-N 434.609 5.892 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(C=CC(=O)c3ccc(-c4ccccc4)cc3)cc2)c1 2330595361 VMFVLVOTYFWKOW-UHFFFAOYSA-N 432.519 7.086 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(-c2cccs2)n1N=Cc1ccncc1 2330620500 TUIDRHMBWTYCSK-UHFFFAOYSA-N 429.933 5.369 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3[N+](=O)[O-])cc2)cc1 2330824467 TXKPUWMOIRWBQP-UHFFFAOYSA-N 443.499 5.982 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cnc(C)cn3)c(Cl)c2)cc1 2330832689 CLYUZPVDIMJXOS-UHFFFAOYSA-N 434.923 5.896 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(C)c3)cc2)CC1 2330855542 UDOWTWRVOIYYMF-UHFFFAOYSA-N 434.576 6.802 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@@H]2CCCO2)c(Cl)c1)c1ccc(Br)cc1 2330887110 CHKXNYVQABGURE-IBGZPJMESA-N 435.701 5.083 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)cc3)cc2)cc1 2330952345 VOSUPDYMASHIKT-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(C)cc1 2331040574 HSGBNMKKJHKUJZ-UHFFFAOYSA-N 431.444 5.417 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)CC1CCCCC1 2331136505 OXFNFHNWJXPQLP-UHFFFAOYSA-N 447.358 6.774 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc4c(c3)OCO4)c([N+](=O)[O-])c2)c1 2331322890 DOSFKKHLACGCGQ-UHFFFAOYSA-N 445.427 5.056 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1Cl 2331437691 CXBCJUWPPOABRQ-UHFFFAOYSA-N 438.838 5.252 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCOc3ccccc3)cc2)c(C)c1C 2331612439 WXEGNPGGHXOJTB-UHFFFAOYSA-N 430.500 5.583 30 10 IKEE C=C(C)CSc1nnc(C(C)C)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2331698027 KEJVSNRDOHGUNZ-UHFFFAOYSA-N 441.000 6.184 30 10 IKEE CCOC(=O)c1sc(NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c(C#N)c1C 1925745 YRVOSAYBOSBRNV-SDNWHVSQSA-N 446.528 5.336 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cn(C[C@H](O)CN3CCCCCC3)c3ccccc23)cc1 8614280 REJABDIKGFAATL-KROBSHITSA-N 446.591 5.173 30 10 IKEE aggregator C=C(C)COc1ccc(NC(=S)NC(=O)c2cccc(OCCc3ccccc3)c2)cc1 10333681 QDKGVPMJUZAWAK-UHFFFAOYSA-N 446.572 5.390 30 10 IKEE CC(C)COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccncc2)cc1 21242250 CEZCQBYBSGQKQB-PIKZIKFNSA-N 439.559 6.096 30 10 IKEE CC(C)COc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OC(C)C)cc2)C3)cc1 21244151 BSJZOQBGELPFNG-ZJSXRUAMSA-N 447.575 5.513 30 10 IKEE CCc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(OC)c(O)c2)cc1 21260150 BMMPYNLHDQZNJR-PIIWDFAUSA-N 440.543 5.943 30 10 IKEE C=CCNC(=O)c1csc(-c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2F)n1 34713653 ADVXBFUTHFCIMI-UHFFFAOYSA-N 437.323 5.751 30 10 IKEE C=CCc1ccccc1OCCn1c([C@@H](C)NC(=O)c2cccs2)nc2ccccc21 40196745 ZDISUWSBJWHCNN-GOSISDBHSA-N 431.561 5.396 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)cc2)C3=O)cc1OC 41289393 WDWWDLHJHJFVNC-QRVIBDJDSA-N 430.456 5.156 30 10 IKEE COC(=O)c1ccc(/C=C2\Oc3c(ccc4c3CN([C@@H](C)c3ccccc3)CO4)C2=O)cc1 41655570 BVTQTWSTLYGWFF-PDESAOGPSA-N 441.483 5.003 30 10 IKEE CC(C)n1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c2ccccc21 59676411 HGCATJACOYGLJH-LQKURTRISA-N 441.600 7.165 30 10 IKEE C=CCn1c(S[C@@H](C)c2nnc(C(C)C)o2)nnc1-c1ccc(Br)cc1 59877943 YWRJXOZDDRFRHP-LBPRGKRZSA-N 434.363 5.253 30 10 IKEE CCCCCCCCCCCCCC[C@H](O)[C@@H](O)[C@@H](CO)NC(=O)CCCCCCC 78976367 XQNJLWJVISBYSS-USZFVNFHSA-N 443.713 5.637 30 10 IKEE N#Cc1ccc(Nc2ccccc2)c(NC(=O)c2cccc(I)c2)c1 90563281 IOACJAYXLGDQEE-UHFFFAOYSA-N 439.256 5.159 30 10 IKEE C=CCOc1ccc(/C=C2/S/C(=N/c3cc(C)cc(C)c3)NC2=O)cc1Br 96585225 HTWDKOKPNSLZLS-XDHOZWIPSA-N 443.366 5.522 30 10 IKEE CCN1C(=O)C[C@@H](C(=O)Nc2cccc(Cl)c2)S/C1=N\c1ccc(C)c(Cl)c1 100194389 OZHYRSWVYVFQGD-DJUDNFEDSA-N 436.364 5.282 30 10 IKEE COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OC/C=C\c3ccccc3)ccc2C1=O 102732355 OFJJUNUHELSILW-WXEISFTBSA-N 444.483 5.421 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccc(OC)cc2)cc1 169925827 YHAGCWTTXOBVFX-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CCCN1C(=S)N[C@H](c2ccc(OCc3ccc(C)cc3)c(OC)c2)C(C(C)=O)=C1C 169930292 KPJJFOKVPQFVBH-XMMPIXPASA-N 438.593 5.087 30 10 IKEE CCCN1C(=S)N[C@@H](c2cc(Cl)c(OCC)c(Cl)c2OCC)C(C(C)=O)=C1C 169930436 ABJIXUQRCOZUEY-KRWDZBQOSA-N 445.412 5.295 30 10 IKEE CCCCCCCCN1C(=O)C(SCc2ccco2)=C(c2ccc(OCC)cc2)C1=O 169993801 QXXQZBKIWSAYKR-UHFFFAOYSA-N 441.593 6.052 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccnc2)cc1 170003462 BWQLKQIEFGUCCB-QFIPXVFZSA-N 430.479 5.301 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2cccc(C)c2)c1 170035731 QFJLXXZOQQYXMG-VWLOTQADSA-N 441.527 5.793 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)[C@H]2c2ccccc2)ccc1F 170053750 QSJUDRVQQILSRO-DEOSSOPVSA-N 445.490 5.704 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2c[nH]c3ccccc23)c1 170074445 XQKSWHBWTKMBKI-HSZRJFAPSA-N 426.447 5.398 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@@H]2c2ccc(C)o2)cc1 170100977 DIDVWOSJUFGNJN-OAQYLSRUSA-N 439.870 5.726 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2OC)c1 170123657 ZTXMYEOJCIAMDE-XMMPIXPASA-N 449.547 5.395 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccccc1OC 170125717 GCVUDEIDMVATOW-HSZRJFAPSA-N 437.536 5.251 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2Cc2cccs2)c1 170139064 WLRSSAFSBGBPMJ-XMMPIXPASA-N 443.568 5.714 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1cccs1)c1ccc2ccccc2c1 170157432 YZHHSYYZCRCECB-JOCHJYFZSA-N 427.481 5.390 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2cccs2)cc1C 170162962 CRHHZAIUKSOYRV-JOCHJYFZSA-N 448.544 5.019 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@H]1c1ccc(OCC)cc1 170214544 XFOORTFORFGIHV-JOCHJYFZSA-N 441.499 5.002 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(OCCC)cc1 170215384 BQZVCQWLBZRJNG-JOCHJYFZSA-N 425.500 5.301 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccc2)c1 170222801 VYHYSPTWNHIKEL-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@H]2c2ccccc2)c1 170224237 MMABOEGWOLFYCP-VWLOTQADSA-N 441.527 5.821 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1ccccc1)c1ccc2c(c1)CCCC2 170229473 FZJJPEPDANXBAV-DEOSSOPVSA-N 445.465 5.627 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccco2)cc1 170280984 JKWQMJZUPJWDJX-QHCPKHFHSA-N 427.456 5.932 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2ccco2)cc1C(C)C 170287922 XMSQSBLPYCYFDB-HSZRJFAPSA-N 447.487 5.203 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@@H]1c1ccco1 170294747 DYWWCAGQQNXUMY-QFIPXVFZSA-N 425.525 5.570 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccc(C)o2)c(OC)c1 170299980 YYDIGHWKXOERGX-QHCPKHFHSA-N 447.487 5.005 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(C)o1 170304248 UKTSUFLJZRQWBI-XMMPIXPASA-N 439.467 5.533 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2sccc2C)c1 170319539 UQDSYZZWNSYMFI-IBGZPJMESA-N 445.968 5.630 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2OC)c1 170332904 CZQIFIMDJFLKRU-XMMPIXPASA-N 443.499 5.267 30 10 IKEE Cc1cccc(Oc2ccc(N3C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]3c3cccnc3)cc2)c1 170481348 LMJUNGUKNXFABN-QHCPKHFHSA-N 442.515 5.698 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 226740593 KERKURAQSTYQPD-FHAGJXEFSA-N 440.971 7.424 30 10 IKEE O=[N+]([O-])c1cc(C=Nc2c(-c3ccc(Cl)cc3Cl)nc3ccccn23)ccc1Cl 252608603 HLSNRBQKSWSFBT-UHFFFAOYSA-N 445.693 6.620 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(=NNC(=S)Nc3ccc(C)c(C)c3)c3ccccc32)c1 254297627 SIPJINQTTUWWSP-UHFFFAOYSA-N 442.588 5.158 30 10 IKEE CCN1C(=O)/C(=C2\Sc3ccccc3N2C)SC1=Nc1cccc(C(F)(F)F)c1 254828413 MEQKKQNRCGBEPY-JADDWRCISA-N 435.496 5.699 30 10 IKEE CCCCCCCCCCNc1c(Br)cc(Cl)cc1Br 394325480 IGRZBGZVOYCJTI-UHFFFAOYSA-N 425.636 7.418 30 10 IKEE CCCCCOc1ccc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526518281 XSTFGZHBIXZWLJ-XMMPIXPASA-N 444.556 6.246 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1c(C)n(C)c2ccccc12 526811802 SOGYMUREDUJIJP-YSMPRRRNSA-N 431.609 5.822 30 10 IKEE CCOc1c(/C=N\n2cnnc2SCc2ccc(Cl)c(Cl)c2)cccc1OC 526813113 WFEMUDITJJOQHX-RMORIDSASA-N 437.352 5.167 30 10 IKEE CCCCOc1ccc(/C=N\n2c(C)nnc2SCc2c(F)cccc2Cl)cc1 526816588 AGWKNMSBTJCOIK-CFRMEGHHSA-N 432.952 5.732 30 10 IKEE CCn1cc(/C=N\n2c(C)nnc2SCc2ccc(Cl)cc2Cl)c2ccccc21 526823684 NOSLPUGNXJDROJ-MYKKPKGFSA-N 444.391 6.042 30 10 IKEE Cc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2cccc3ccccc23)cc1C 586211098 OBSLSUNENYWRDX-UHFFFAOYSA-N 426.541 5.724 30 10 IKEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC2CCCCCCCCCCC2)cc1 586598316 GFQJYIVXYLBBMB-UHFFFAOYSA-N 425.617 6.296 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCc2cc(Br)ccc21 698478275 SCEMZLODFSCEAE-JOCHJYFZSA-N 427.342 5.864 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@@H](C#N)c1ccc(Cl)c(Br)c1 698833713 VFZDRLQNKTVMGA-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@H](C#N)c1ccc(Br)s1 698892046 QOAIRQHGBPACHN-CYBMUJFWSA-N 427.751 6.170 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@@](C)(C#N)c1ccc(Br)cc1F 698900434 GXRQUXDQEIOVCQ-FQEVSTJZSA-N 437.284 5.908 30 10 IKEE C[C@@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)CN1C(=O)OC(C)(C)C 698989420 MYSCQCCIUIUADE-MWTRTKDXSA-N 449.979 5.763 30 10 IKEE CCCCCCCCCC[C@@H](N)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 702533105 SNKYWHIMNHUEPW-RPWUZVMVSA-N 433.681 5.870 30 10 IKEE COc1ccc(/C=C2/C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cc1OC 1084420370 IXKJEQQDDXKZRU-NLURBKRWSA-N 436.592 5.590 30 10 IKEE Cc1ccc(-n2nc(C)c(C=NNc3ccc(I)cc3)c2C)c(C)c1 1084579765 REHMCYHMSIFAGP-UHFFFAOYSA-N 444.320 5.157 30 10 IKEE CCCN(CC1CC1)/C(=N/Cc1cc(Br)ccc1F)Nc1ccc(O)cc1C 1088663273 GTWHNSREKJULLC-UHFFFAOYSA-N 448.380 5.692 30 10 IKEE Cc1sc2nc(CS[C@H](C)C(=O)Nc3cc4ccccc4cc3C#N)nc(O)c2c1C 1528740590 HIWNQSQTGHVVHA-CQSZACIVSA-N 448.573 5.299 30 10 IKEE CN(Cc1nc(O)c2sccc2n1)C(=O)Nc1ccc(Sc2ccccc2C#N)cc1 1677631658 HHTIGAXADDCMQR-UHFFFAOYSA-N 447.545 5.084 30 10 IKEE CCN1C(=O)/C(=C(\C)c2ccc(Cl)cc2)SC1=Nc1nc(-c2ccccc2)cs1 1772735703 HVKIFOBCFKNBCR-ZQFCNSAKSA-N 439.993 6.478 30 10 IKEE COc1ccc(/C=C2\SC(=Nc3cccc(C)n3)N(C3CCCCC3)C2=O)cc1OC 1772736811 NBNJEVXUEXEMEG-POLMPROESA-N 437.565 5.344 30 10 IKEE COc1ccc(CCn2c(O)c(N=Nc3c(C)cccc3C)c(C)c(C#N)c2=O)cc1OC 1772741493 PYDWGGJDFWXIMT-UHFFFAOYSA-N 446.507 5.026 30 10 IKEE COc1cccc(-c2cc(C(=O)Nc3ccccc3C#N)nn2Cc2ccccc2Cl)c1 1859405864 UVOUPSFLSGOTTL-UHFFFAOYSA-N 442.906 5.384 30 10 IKEE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)Nc1c(C#N)cnn1-c1ccccc1 1859760235 DJLZQUYQBQPOAR-UHFFFAOYSA-N 448.313 5.674 30 10 IKEE O=C(O/N=C1/CCN(Cc2ccccc2)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1860468653 JMHKNJFGTFBQME-PKAZHMFMSA-N 430.348 5.143 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCC)NC(=O)COc1ccc(Cl)cc1Cl 1861671728 HVIIIWULXCNLTE-SFHVURJKSA-N 431.404 5.134 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CCCOC)cc1 1862385811 YKWXCIRCFLCOMZ-HXUWFJFHSA-N 448.346 5.171 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2cccc(C)c2)cc1 1862389292 CITXWXOFEIRSCL-DEOSSOPVSA-N 435.564 5.079 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@@H]1c1ccc(C)cc1 1862389493 HAJQBRLJUAHRQL-VWLOTQADSA-N 433.592 6.496 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(O)cc2)cc1 1862390221 YHMCQSZACQUEGH-VWLOTQADSA-N 441.527 5.513 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(F)cc2F)=C(O)C(=O)N1Cc1ccccc1F 1862411828 PTXCCPOBHYKAHP-JOCHJYFZSA-N 437.417 5.191 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(F)cc1 1862430355 IPKHCDFXDFTVFT-XMSQKQJNSA-N 443.946 6.416 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccccc1Cl 1862432787 NAHWNGGXHWBUPR-RFVSGWPVSA-N 444.358 6.150 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)c1 1862478628 MHPDTOADTSYMED-IHLLOCCUSA-N 433.548 5.551 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2cccc(F)c2)cc1 1862489725 ZOKJVQNFXSLUPA-VWLOTQADSA-N 443.518 5.572 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccc(F)cc2)c1 1862490351 TZFKFHFRDLCMSV-VWLOTQADSA-N 443.518 5.838 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1 1862516722 VWAMVYFLSZTQOS-DEOSSOPVSA-N 435.564 5.833 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2cccc(F)c2)cc1 1862530132 NPOIEZDFFKHYEF-HSZRJFAPSA-N 433.454 5.306 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccccc2C)cc1 1862532749 JEMIAQFDYAFRAT-XMMPIXPASA-N 429.491 5.475 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862539953 CKHBNVNAGVNHSZ-UQBPGWFLSA-N 449.591 6.195 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862597387 JYZPXCXBXKDMSO-IBGZPJMESA-N 433.426 5.180 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2c(F)cccc2Cl)cc1F 1862644970 XNEFFICXQPBNBE-FQEVSTJZSA-N 449.881 5.251 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccccc2)cc1 1862661252 VHBAOEIYVNKUAO-CLOONOSVSA-N 425.528 6.150 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2CCOC)cc1 1862723883 GVUGUYJZAXOTQM-VWLOTQADSA-N 441.527 5.141 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(Cl)c2)=C(c2ccc(Cl)cc2)C1=O 1863169090 FIBYMFDTSSWJJM-UHFFFAOYSA-N 445.390 6.546 30 10 IKEE CCCCCN1C(=O)C(Nc2ccccc2C#N)=C(c2cc(Cl)ccc2Cl)C1=O 1863391785 AMXSGCPBSCABOQ-UHFFFAOYSA-N 428.319 5.247 30 10 IKEE CCCCCCCCNC1=C(c2ccc(C)c(C)c2)C(=O)N(Cc2ccc(F)cc2)C1=O 1863604741 MKUMPCCDRPDXRB-UHFFFAOYSA-N 436.571 5.673 30 10 IKEE CCc1cccc(OC2CCN(c3cc(Nc4cccc(C#N)c4)nc(C(C)C)n3)CC2)c1 1868221550 QLKIDHJCARTPGU-UHFFFAOYSA-N 441.579 5.825 30 10 IKEE CCCc1nc(Nc2ccccc2C#N)cc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)n1 1868398399 MCUDJAMVUVDYGM-OAQYLSRUSA-N 433.943 5.276 30 10 IKEE C=CCOc1cn(CCCCN(CC)CC)c(CSc2ccc(Cl)cc2)cc1=O 1870246205 SQIRZCRSWLRLGX-UHFFFAOYSA-N 435.033 5.481 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2C)c(CN2C[C@H](C)O[C@H](C)C2)cc1=O 1870412826 JVGYJSZOOFDAAZ-ZRZAMGCNSA-N 440.628 5.163 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCOc2cccc3ccccc23)cn1CCC 1870592483 XACPZVODZIIFAI-UHFFFAOYSA-N 432.564 5.043 30 10 IKEE CCCCCCCOc1cn(Cc2cccnc2)c(CNc2ccc(C)cc2C)cc1=O 1870833817 UXLLLTUSEWAWTG-UHFFFAOYSA-N 433.596 5.870 30 10 IKEE CCCCCCCOc1cn(C[C@@H](C)O)c(CNc2ccc(CCCC)cc2)cc1=O 1870836760 UFUQNNXAWPQEJQ-OAQYLSRUSA-N 428.617 5.533 30 10 IKEE C=CCn1cc(OCc2c(Cl)cccc2Cl)c(=O)cc1CNc1cc(C)cc(C)c1 1871049824 UGEGCEINQDXYJV-UHFFFAOYSA-N 443.374 6.149 30 10 IKEE C=CCn1cc(OCCCCOc2ccccc2C)c(=O)cc1CNc1cccc(F)c1 1871227803 GSENLVKDVNDUHB-UHFFFAOYSA-N 436.527 5.332 30 10 IKEE C=CCN(CC=C)Cc1c(O)ccc2c1O/C(=C\c1cn(CC)c3ccc(OC)cc13)C2=O 1871393503 QPDRGSAMPIWNNS-QFEZKATASA-N 444.531 5.166 30 10 IKEE Cc1cc(OCCCOc2ccccc2)cc2c1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O2 1871398140 KNMNKTLGYJBSOK-HAHDFKILSA-N 431.444 5.367 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871410543 DIFMEWPMAOYTBF-AOBKZXEFSA-N 427.500 5.580 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871412317 QYWRLEGIUJIDKL-BEXDPUPVSA-N 443.499 5.334 30 10 IKEE O=C1/C(=C/c2cccc([N+](=O)[O-])c2)Oc2cc(OCCOc3ccc(Cl)cc3)ccc21 1871412755 BZLJEISNYOODNF-XKZIYDEJSA-N 437.835 5.322 30 10 IKEE Cc1cc(OCCN2CCCCC2)cc2c1C(=O)/C(=C/c1ccc(Br)cc1)O2 1871451062 ARKIEDAFWLCQGE-STZFKDTASA-N 442.353 5.238 30 10 IKEE CCCCCCCCN=c1nc(N2C[C@@H](C)C[C@H](C)C2)[nH]c(=Nc2ccc3cc[nH]c3c2)[nH]1 1871587999 MDGRAVUYEQWAAD-PMACEKPBSA-N 449.647 5.195 30 10 IKEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1cccs1 1871819413 KULKFMZBKOHKSF-OAQYLSRUSA-N 448.654 5.321 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1)c1ccccc1)S(=O)(=O)c1cc(C)ccc1C 1872138344 SPOIDCYLAGILJN-RUZDIDTESA-N 448.588 5.250 30 10 IKEE C=CCN([C@@H](CC)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1872451170 VPQGXOMMRMDHIQ-NRFANRHFSA-N 434.989 5.057 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@@H](C#N)C(=O)Cc3ccc(F)cc3F)n2)c1 1872781345 SXZTXWSCMLNMTD-SFHVURJKSA-N 442.487 5.305 30 10 IKEE CCOC(=O)Oc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1 1872789403 ICWBCLSXTVJELP-ZDUSSCGKSA-N 432.910 5.550 30 10 IKEE CCCCCCCCCCNC(=O)c1cccc(COc2ccc(C(C)(C)CC)cc2)c1 1872829440 WMUIDRQGJQJRJV-UHFFFAOYSA-N 437.668 7.824 30 10 IKEE CCCCCCCCCCNC1=C(c2cccc(Cl)c2Cl)C(=O)N(C(C)C)C1=O 1873127673 ZYDVUIDFBGLWDY-UHFFFAOYSA-N 439.427 6.212 30 10 IKEE O=C1c2ccccc2C(=O)N1/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1873498791 JQVPWQNNOZTABF-BRJLIKDPSA-N 425.271 5.203 30 10 IKEE N#Cc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCCC3)C23CCCCC3)cc1 1873867824 ZHDWKAXIWFDAHX-VWLOTQADSA-N 441.575 5.772 30 10 IKEE CCCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1cccc(Cl)c1 1874234153 UODJTJHFBWKDEK-YZSQISJMSA-N 434.996 6.254 30 10 IKEE CCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1cn(C)c2ccccc12 1874254941 XCJQRNGIJXLYGJ-DHRITJCHSA-N 433.581 5.268 30 10 IKEE CCCSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1cccc(Cl)c1 1874258705 DXTVCTITWKLPMX-BUVRLJJBSA-N 428.989 5.847 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(CCc3ccc(Cl)cc3)nnc2SC)cc1 1874281436 IWQMXVXXTHNBKY-KOEQRZSOSA-N 443.016 5.890 30 10 IKEE CCCSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1ccccc1OC(C)C 1874328385 LWSPEDXIBMVPBA-MFKUBSTISA-N 438.597 5.645 30 10 IKEE Cc1cccc(/C=N/n2c(COCc3ccccc3)nnc2SCCc2ccccc2)c1 1874355713 XQYPXAAGRXIENX-OVVQPSECSA-N 442.588 5.520 30 10 IKEE Oc1ccc(/C=N/n2c(CCc3cccs3)nnc2SCCc2ccccc2)cc1 1874371116 JRGCYNWTXROZPE-JJIBRWJFSA-N 434.590 5.047 30 10 IKEE CCc1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SCc2ccc(F)cc2)cc1 1874373638 OVTAAIIHMZPUJO-LQKURTRISA-N 448.542 5.884 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C/c2ccc(F)cc2F)cc1 1874397022 XAXUVRLLRVBNTF-LQKURTRISA-N 448.542 5.824 30 10 IKEE Cc1ccccc1/C=N/n1c(CCc2ccccc2)nnc1SCc1ccccc1Cl 1874402645 GTXIXULLYOYFRR-WPWMEQJKSA-N 447.007 6.200 30 10 IKEE Fc1cccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2cccc(Cl)c2)c1 1874419178 BSIUFXCJFYUKDT-CVKSISIWSA-N 436.943 5.836 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(SCc2ccccc2F)nnc1-c1ccccc1 1874428182 VTKOMWXQJOMRTQ-JVWAILMASA-N 446.551 6.046 30 10 IKEE CSc1nnc(C(C)(C)C)n1/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1874481400 YZNLZKBREPRTGT-WYMPLXKRSA-N 449.407 6.066 30 10 IKEE Cc1cccc(CSc2nnc(C3CCC3)n2/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 1874493961 NMLWFQZXQJTNPE-FSJBWODESA-N 441.944 5.590 30 10 IKEE Fc1ccc(CSc2nnc(C3CCC3)n2/N=C/c2ccc(C(F)(F)F)cc2)cc1 1874494991 OEPKYFNAOPQJQD-RPPGKUMJSA-N 434.462 5.878 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CCC2)c1 1874496833 HAYKMTCWDYCYDO-CVKSISIWSA-N 428.561 5.887 30 10 IKEE CC(C)c1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc2c(c1)OCCO2 1874514641 DKPJUXBBPDMRLK-CVKSISIWSA-N 444.560 5.500 30 10 IKEE Cc1ccccc1CSc1nnc(C2CC2)n1/N=C/c1ccc(Br)cc1 1874517799 LMJXMFWMUNGPGE-WSDLNYQXSA-N 427.371 5.401 30 10 IKEE Cc1ccccc1NC(=O)CSc1nnc(C2CC2)n1/N=C/c1ccc(C(C)C)cc1 1874518335 ONDSIYZTTKSBER-AFUMVMLFSA-N 433.581 5.200 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(F)cc1F 1874576217 CGMOICGJKFKXTF-WEVVVXLNSA-N 435.898 5.542 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cc(Br)ccc1OCCO 1874584384 LRHPHSPZXZEPGO-VMPITWQZSA-N 433.342 5.022 30 10 IKEE COC(=O)c1ccc(COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(F)c(F)c2)o1 1874585174 PBZLHGRLKYZZNY-XVNBXDOJSA-N 432.806 5.473 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1Cl 1874616379 WTKKANFAEORZGQ-GXDHUFHOSA-N 433.935 6.124 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 1874621098 KANOYLFEKWHVBA-FPYGCLRLSA-N 437.835 5.452 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OCc1cc(C)ccc1C 1874624987 GPHCTNUKEGVESR-KPKJPENVSA-N 438.926 6.970 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2OC)o1 1874633092 LQMLUDQTAQKLOS-YRNVUSSQSA-N 434.488 5.557 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3cc(Cl)ccc3OC)cc2)o1 1874638872 WRAPBKCAEYHKDR-IZZDOVSWSA-N 440.879 5.593 30 10 IKEE CC(C)COc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 1874692570 NHGRAWPXDIDBNH-NTEUORMPSA-N 445.471 5.745 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3c(F)cccc3Cl)c2)c1 1874694690 PGZSWWNZJPSFJM-PKNBQFBNSA-N 440.854 5.612 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)CSc1ccccc1 1874698482 YSVFOYJATIJXGZ-NTUHNPAUSA-N 449.484 5.197 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1OC(=O)c1cccc(Cl)c1 1874699956 UZKHTPJRASOWDH-WEVVVXLNSA-N 428.818 5.742 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccccc3F)c2)cc1 1874702076 RMPOOCCXMWWVIE-RIYZIHGNSA-N 434.463 5.738 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)c2)cc1 1874702236 VSFMBABCAXGUMR-DHZHZOJOSA-N 446.415 5.235 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc(Cl)c1OC(=O)C1CCC1 1875099540 NCPZNZPSFGEJNG-CSKARUKUSA-N 444.911 5.358 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)C2CCC2)c(Br)c1 1875143062 HJTXVRMUNFMSOV-VQHVLOKHSA-N 429.310 5.368 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc(Cl)ccc3Cl)cc2)cc1F 1875152519 OMLNOCHUBMDSPE-ONNFQVAWSA-N 445.273 6.256 30 10 IKEE O=C(COc1ccc(Cl)cc1Cl)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1 1875157675 JPWDFIZZQOPSSA-QDEBKDIKSA-N 445.273 6.013 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2ccccc2)c([N+](=O)[O-])c1 1875170934 XEWXTKDPEIURHP-PKNBQFBNSA-N 445.471 5.264 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)c1ccc(F)cc1 1875171082 FSFCNGHHWBMKEN-WUXMJOGZSA-N 448.490 5.965 30 10 IKEE C=C(COCc1ccccc1)[C@H](CN(Cc1ccccc1)C(=O)OC(C)(C)C)NCCC 1922113121 PUPPMGLDYYKOCR-VWLOTQADSA-N 438.612 5.565 30 10 IKEE Cc1cc(Br)c([C@@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)s1 1942133179 XFTUQIGYDYNIJW-CQSZACIVSA-N 427.389 5.883 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 1945529742 YUIFKEUCLKJITO-YZGWKJHDSA-N 435.609 5.484 30 10 IKEE CCCCCCCCCC[C@@H](O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1947508231 UKXUGYKMRXAKLI-DNQXCXABSA-N 435.649 6.378 30 10 IKEE CC[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(OC)c2)CN1Cc1ccccc1 2029749947 HXBBJKVLPIPIBW-HFZDXXHNSA-N 435.568 5.384 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2032216164 GDJYYIMKOUFYKJ-UQBPGWFLSA-N 449.636 5.924 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](N)Cc1cc(Cl)c(C)c(Br)c1 2048645549 MEUMHYWQEDKONC-SJORKVTESA-N 431.802 5.140 30 10 IKEE Cc1ccc([C@H](C2CCC2)n2nc(C(C)C)c(C#N)c2I)cc1F 2079088463 COYZXCCRDLBIQD-SFHVURJKSA-N 437.300 5.320 30 10 IKEE C=CCC[C@@H](C)[C@@H](NCCC)c1ccc(Br)cc1I 2142286699 GZZQKFYDDVHBQG-MLGOLLRUSA-N 436.175 5.697 30 10 IKEE CC1(C)CCCN(Cc2ccccc2)[C@H]1CNc1cc(Br)c(C#N)cc1F 2184352944 FFYCCZVLGBHUFN-NRFANRHFSA-N 430.365 5.563 30 10 IKEE C[C@@H](Nc1ccc(C#N)cc1Br)c1ccc(CNC(=O)OC(C)(C)C)cc1 2187540224 DJAHFSSPOWYCAD-CQSZACIVSA-N 430.346 5.519 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H](Nc2ccc(C#N)c(Br)c2)C(F)(F)CC1 2197022823 DNMZNDQWXNJMTF-INIZCTEOSA-N 444.320 5.158 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Br)cc1Cl 2222741146 VVNUVFHTYSKZFJ-SJORKVTESA-N 431.802 5.613 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C(C)C 2246560695 SQCGIUDFYOQYPP-KMDXXIMOSA-N 430.633 5.409 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)CC1 2259676225 SAXJJALJNKGVGZ-XMMPIXPASA-N 447.551 5.641 30 10 IKEE N[C@@H](C#Cc1ccc(Br)cc1)c1csc(Br)c1Br 2264193833 QFUBQSNSTVGEGB-NSHDSACASA-N 449.993 5.087 30 10 IKEE Cc1cc(I)ccc1Nc1cc(Br)c(C#N)cc1F 2268264241 QICWVAXRUHFMJR-UHFFFAOYSA-N 431.046 5.117 30 10 IKEE C=CC[C@]1(COc2cc(Br)c(C)cc2N)CCCN1C(=O)OC(C)(C)C 2272086548 QTTKDJBPDAOSNF-HXUWFJFHSA-N 425.367 5.064 30 10 IKEE C=CC[C@]1(COc2ccc(N)c(Br)c2)CCCN(C(=O)OC(C)(C)C)C1 2272151570 WBRFBQFWBATSSV-FQEVSTJZSA-N 425.367 5.004 30 10 IKEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CCN(Cc2ccccc2)CC12CCC2 2275809555 XQZZBBFTJSWKKV-MUUNZHRXSA-N 449.591 5.066 30 10 IKEE O=C(N[C@@H](C(=O)C#Cc1cccc(Br)c1)c1ccccc1)OCc1ccccc1 2278743339 FPNQKLSNDADBKJ-HSZRJFAPSA-N 448.316 5.037 30 10 IKEE O[C@H](C#Cc1cccc(Br)c1)c1c(Br)cccc1Br 2278784483 BBMVGIPIGKTJGN-CQSZACIVSA-N 444.948 5.059 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@]2(CNc3c(Br)cccc3C#N)CCC[C@@H]12 2285184492 NCOOLEFYMYJXSN-DYESRHJHSA-N 434.378 5.302 30 10 IKEE CCCN[C@H](C#CC1CCCC1)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2289694627 XCQDYKOEFIDYSL-HXUWFJFHSA-N 435.406 6.030 30 10 IKEE CCCCN1C(=O)C(=C2Sc3ccc(Cl)cc3N2C)SC1=Nc1cccc(C)c1 2295190080 PWSNUJZHQPHOLE-UHFFFAOYSA-N 444.025 6.423 30 10 IKEE CC(=O)Oc1c(Br)cc(C=Nc2cccc3ccccc23)cc1Br 2296645031 JCKZSWACUXIVRU-UHFFFAOYSA-N 447.126 6.041 30 10 IKEE Cc1cccc(C(=O)Oc2ccc(C=C3SC(=Nc4ccccc4Cl)NC3=O)cc2)c1 2296737770 NCAJCPAGPUCZPF-UHFFFAOYSA-N 448.931 5.759 30 10 IKEE COc1ccc(OC)c(C=C2Oc3cc(OC(=O)c4ccccc4Cl)ccc3C2=O)c1 2296865846 KNBMYWVAPSSGIJ-UHFFFAOYSA-N 436.847 5.193 30 10 IKEE CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC(=Cc5cnn(C)c5C)C(=O)[C@]4(C)CC[C@@H]32)C1 2297556289 JMQZWPIAQPSGBR-ADIOIALBSA-N 436.596 5.185 30 10 IKEE C=C(C)CN(Cc1ccccc1)[C@](C)(C[C@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)O 2306616773 HUAPKYQCHKIWKM-PXDATVDWSA-N 430.589 5.088 30 10 IKEE Cc1csc(N=C2SC(=Cc3cn(C)c4ccccc34)C(=O)N2C2CCCCC2)n1 2314543514 FZOXDZJNYHOLIN-UHFFFAOYSA-N 436.606 5.880 30 10 IKEE C[C@H]1CCc2c(C#N)c(NC(=O)C=Cc3ccc(Cl)c(Cl)c3)sc(=S)c2C1 2314793739 YUBREYZZAZLOEZ-NSHDSACASA-N 435.401 6.433 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccc(O)c(Cl)c2)c1 2318574703 QXDFNJDEQIDGDQ-UHFFFAOYSA-N 448.979 5.711 30 10 IKEE Cc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(Cc1nc2ccccc2[nH]1)C3 2322192931 DQJANWULWSKYCJ-UHFFFAOYSA-N 437.499 5.148 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)c1OCc1ccccc1F 2322311978 GEYFHPXESREJSJ-UHFFFAOYSA-N 441.842 5.871 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(-c4ccccc4)cc1)C3=O)CN(CCC(C)C)CO2 2322436982 VXRHJYUDEOSCIC-UHFFFAOYSA-N 439.555 6.476 30 10 IKEE CCc1ccccc1NC(=O)COc1c(C=CC(=O)c2ccc(Cl)cc2)cccc1OC 2322542369 IYMDPMWNUJUEDG-UHFFFAOYSA-N 449.934 5.825 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(C)cc2C)c1OCc1ccccc1Cl 2322572688 JJLNNLDFXCOQCA-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE COc1ccc(OC)c(C=C2Oc3cc(OC(=O)c4ccccc4C)cc(C)c3C2=O)c1 2322681257 KOBOVKOBMGXGRV-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2cc(Br)ccc2OCc2ccccc2)cc1 2322725260 XARBKTHFOCJELG-UHFFFAOYSA-N 435.361 7.048 30 10 IKEE CCCCCCCCCOc1ccc(C=NNc2nc3ccccc3s2)cc1Cl 2323153708 XLWFDJNJKWPMPM-UHFFFAOYSA-N 430.017 7.525 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc(C)c3C2=O)cc1 2323302447 ILSQZRSNNSWZFS-UHFFFAOYSA-N 449.846 5.700 30 10 IKEE CCCCCOc1ccc(C=NNS(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1OC 2323352343 PUHDGTGNTWJQNP-UHFFFAOYSA-N 446.613 5.183 30 10 IKEE COc1ccc(OC)c(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C)cc2)C3=O)c1 2323487000 ZPARRTZQYZFVQJ-UHFFFAOYSA-N 442.467 5.247 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1Cl 2323720730 AXHNWUQAWFEEIX-UHFFFAOYSA-N 441.861 5.840 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1 2323831439 MIVNVGJIZIAWSW-UHFFFAOYSA-N 427.327 6.867 30 10 IKEE C=CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(C)c2)C3=O)cc1 2323865729 SCBGYFARZNDOIX-UHFFFAOYSA-N 426.468 5.704 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OCCc1ccccc1 2324077893 UDEVDIAZFBGOQN-UHFFFAOYSA-N 436.891 5.595 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc3ccccc23)cc(OC)c1OCc1ccc(C)cc1 2324141505 SMROOPBNQUKZKB-UHFFFAOYSA-N 448.562 7.360 30 10 IKEE Cc1cc(O[C@H](C)C(=O)Nc2ccc(F)cc2)cc2c1C(=O)C(=Cc1cccc(F)c1)O2 2324317542 HXZJLETVIFCTNY-OAHLLOKOSA-N 435.426 5.295 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1C 2324627220 LVUURCRRHFSMFE-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE COc1ccc(OC)c(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)c1 2324706595 GLOVDDVOFZESKM-HXUWFJFHSA-N 448.544 5.342 30 10 IKEE Cc1c(OCC(=O)NCc2ccccc2)ccc2c1OC(=Cc1ccc(C(C)C)cc1)C2=O 2324965358 GTHRXWBUGCGVQA-UHFFFAOYSA-N 441.527 5.430 30 10 IKEE CCCOC(=O)[C@H](CC)Oc1ccc2c(c1C)OC(=Cc1c(Cl)cccc1Cl)C2=O 2325086552 ZLPMOPOOXHFDRP-SFHVURJKSA-N 449.330 6.029 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccc(C)o2)C3=O)c(Cl)c1 2325299397 STPUQIDNRUDJFY-UHFFFAOYSA-N 437.879 5.492 30 10 IKEE Cc1ccc(CCOc2cc(C)c3c(c2)OC(=Cc2ccc(Br)cc2)C3=O)cc1 2325369876 ZIQSGPUWJIPKAT-UHFFFAOYSA-N 449.344 6.304 30 10 IKEE O=C(C=Cc1ccc(F)c(Br)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1 2325610135 CXXGEXUAUZAFNC-UHFFFAOYSA-N 440.268 5.602 30 10 IKEE COc1ccc(CCOc2ccc3c(c2)OC(=Cc2ccccc2OC(F)F)C3=O)cc1 2325631475 BGPFOGZJHCNGLQ-UHFFFAOYSA-N 438.426 5.534 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1)c1cccc([N+](=O)[O-])c1 2325690211 SWZSDSMUDTZIBZ-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OC(=O)COc1ccc(C)cc1C 2325735232 QUWQYNKECFVIPL-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE COc1cc(C(=O)C=Cc2cccc(OC(=O)c3ccc(C)cc3)c2)c(OC)cc1Cl 2325758859 GFUOWUNYBCQHRJ-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(Br)c(O)c(OC)c2)cc1OCCC 2325791644 UDYOSJCLALTGDT-UHFFFAOYSA-N 449.341 5.637 30 10 IKEE C=CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1ccccc1C 2325905460 KPTIHDGOMIKCTP-UHFFFAOYSA-N 434.609 5.932 30 10 IKEE C=CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1cccc(OC)c1 2326136849 VWCUDENTBSXZOF-UHFFFAOYSA-N 442.972 5.296 30 10 IKEE C=C(C)CSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccccc1Cl 2327272729 VRBCGXRACMSTKL-UHFFFAOYSA-N 441.000 5.986 30 10 IKEE Cc1cccc(C=Nn2c(COc3ccccc3Cl)nnc2SCc2ccccc2)c1 2327649455 SRCHDYNQDDMVIQ-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3C)n2N=Cc2ccco2)cc1C 2328929222 GNCQXMRWYNEINC-UHFFFAOYSA-N 430.577 5.756 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(F)c3)n2N=Cc2ccc(F)cc2)cc1C 2329405511 SSXJGTVASNVNEF-UHFFFAOYSA-N 448.542 5.938 30 10 IKEE COc1cccc(C=Nn2c(Cc3ccccc3F)nnc2SCc2ccccc2C)c1 2329717380 CSNKLKIAJVENFE-UHFFFAOYSA-N 446.551 5.500 30 10 IKEE COc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2C)cc1O 2330459474 UJXDBUCYTXDINY-UHFFFAOYSA-N 444.560 5.066 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1 2330592879 MQIATBBTVOKPOE-UHFFFAOYSA-N 448.518 6.406 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1Cl 2330662121 SYAQCNQIOISFLC-UHFFFAOYSA-N 426.899 6.917 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)CC3CCCCC3)c(OC)c2)cc1 2330742488 YXGKXSMTISXWJN-UHFFFAOYSA-N 436.548 6.038 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3c(C)cccc3C)cc2)c1 2330777052 HXNYJAZAFNKXKU-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@H]2CCCO2)c(Cl)c1)c1cccc(Br)c1 2331002201 QTQZVQPOKNZIHB-LJQANCHMSA-N 435.701 5.083 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC(=O)C1CCCC1 2331032982 NHYXBSQWIGEMRO-UHFFFAOYSA-N 443.883 5.639 30 10 IKEE O=C(CSc1ccccc1)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1Cl 2331143906 IAZQHPBLZCVEMK-UHFFFAOYSA-N 443.351 6.587 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)Cc1ccccc1 2331155306 QRPCCQHTJRHXGO-UHFFFAOYSA-N 446.930 6.121 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1N=Cc1ccc(C)cc1 2331175112 UAKUHEGSATYVJP-UHFFFAOYSA-N 445.548 5.022 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3F)c(OCC)c2)cc1 2331206849 UALKAMSDMOVTMB-UHFFFAOYSA-N 448.490 5.667 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)[C@@H](C)c1ccccc1 2331218465 GITUJJFOHXMHTG-FQEVSTJZSA-N 444.527 5.926 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2-c2ccco2)cc1 2331224442 LBIYPGHPQXPGPW-UHFFFAOYSA-N 438.940 5.765 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2)c(Cl)c1)c1ccc(Cl)c(Cl)c1 2331242233 GFBLECISWYLXNG-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cnc(C)cn3)c(OCC)c2)cc1 2331309136 ZTBJSPMYEKYJEJ-UHFFFAOYSA-N 446.503 5.088 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(F)c3)cc2Cl)cc1 2331453862 SSKJTGSKBFVAQV-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)c(Cl)c1)c1ccc(F)cc1 2331520903 PIPSVSDWEIIRRZ-UHFFFAOYSA-N 449.692 6.901 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(Br)c1OC(=O)CC 2331779901 ZDJQPDVJWRDYJX-UHFFFAOYSA-N 445.353 5.985 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)C3CCCC3)c(OC)c2)cc1Cl 2331819003 YGCSOBNMVTUVDA-UHFFFAOYSA-N 444.911 5.358 30 10 IKEE CCc1csc(C#CC(=O)c2ccc(Br)cc2NC(=O)OC(C)(C)C)n1 2338649190 RRNMYQNRVXAHOF-UHFFFAOYSA-N 435.343 5.049 30 10 IKEE CC1(C)OB(c2ccc(CSCC3CCCCC3)cc2Br)OC1(C)C 2349807882 JYIPVPAMXAVMCM-UHFFFAOYSA-N 425.241 5.562 30 10 IKEE Cc1cc(CNc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)sc1Br 2365116582 AKOISROHDNABDP-UHFFFAOYSA-N 435.196 5.471 30 10 IKEE C=C(C)CN1C(=O)[C@@H](C)Oc2ccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)cc21 12081434 ISQZZMYRANKXFB-UONOGXRCSA-N 449.334 5.089 30 10 IKEE CCc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(Cl)cc2)cc1 20881768 BGAJWVWKHKTOFM-CCLHPLFOSA-N 428.963 6.882 30 10 IKEE CCn1nc(C)c(CN/C(=N/C(=O)c2ccc(Cl)cc2)Nc2cc(C)cc(C)c2)c1C 32971561 RBXUVCMJECLBLD-UHFFFAOYSA-N 437.975 5.188 30 10 IKEE COc1cc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccc(Cl)cc2)ccc1O 33321099 LLUMZAUJCNOVHZ-IVZQSRNASA-N 436.895 5.309 30 10 IKEE CCCCCCCCc1ccc(-c2ccc(/N=C3/C(=O)Nc4ccc(F)cc43)cc2)cc1 33355895 JYBTVXGFPCGVBM-UHFFFAOYSA-N 428.551 7.469 30 10 IKEE Cc1cc(-c2ccccc2)nc(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)n1 33367616 XEMRPAJKVXJNMK-UHFFFAOYSA-N 434.590 5.385 30 10 IKEE CCCCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2C)S/C1=N/Cc1ccccc1 35313512 PBFNGFZVZGQPST-BQAVYGMZSA-N 439.606 5.338 30 10 IKEE COc1ccc(/C=C2/Oc3cc(OC(=O)c4ccccc4Cl)ccc3C2=O)c(OC)c1 35363141 ZVQLILDKBSPAFO-SSDVNMTOSA-N 436.847 5.193 30 10 IKEE C=CCC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C1CC1 36346352 XVAXQTMPAAQWTM-HSZRJFAPSA-N 435.543 5.404 30 10 IKEE O=C(/N=C1\SC2=C(CCCC2)\C1=C/NNc1ccc2ccccc2c1)c1ccccc1 38162253 ALGYXUHLVLOTKI-AQBZCYANSA-N 425.557 6.454 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2cccs2)C4)c1 41645726 RUQQTRNHUZNXMX-JJFYIABZSA-N 449.528 5.042 30 10 IKEE C=CCNC(=O)c1cc(-c2csc(-c3ccccc3Cl)n2)n(C[C@H]2CCCO2)c1C 43251575 KMJGLLICPZAPAR-MRXNPFEDSA-N 441.984 5.335 30 10 IKEE Clc1ccc(/C=N/c2ccc3nc(SCc4c[nH]c5ccccc45)sc3c2)cc1 59391610 XHBAKNTVFFYQCL-BRJLIKDPSA-N 433.989 7.474 30 10 IKEE O=[N+]([O-])c1ccc(-c2ccc(/C=N/Nc3nc4ccccc4s3)o2)c(Br)c1 59463315 PZFIOZNKBZRUOP-KEBDBYFISA-N 443.282 5.673 30 10 IKEE C=CCOc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccccc2)cc1OCC 64795338 WIBNHOXAPBOXKT-QGZVFWFLSA-N 449.528 5.551 30 10 IKEE CCCCCCCOc1ccc(NC(=S)NC(=O)c2ccccc2OCC(C)C)cc1 100155648 SBSDYICKMRSUPP-UHFFFAOYSA-N 442.625 6.197 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2 100359950 ASJJSQLKZJXIRK-UMEGOILYSA-N 430.419 8.169 30 10 IKEE CCCCCCCOc1ccc(NC(=O)c2cccc(I)c2)cc1 100448976 YROQRYCWTPXGKX-UHFFFAOYSA-N 437.321 5.893 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@H](c2cccc(OCc3cc(C)ccc3C)c2)NC(=S)N1 169938194 UYIYMCVYUHBKSI-VWLOTQADSA-N 442.584 5.558 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(O)cc2)cc1 169958133 UJORZJSXSQOLHC-QHCPKHFHSA-N 431.463 5.438 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2cccc(C)c2)c1 170035790 QSJNXGFAMJQUAL-QHCPKHFHSA-N 447.918 5.830 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(O)c(Cl)c2)cc1 170043870 LRONASUZEPDEDR-NRFANRHFSA-N 425.912 5.129 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1c[nH]c2ccccc12)c1cc2ccccc2o1 170077469 AFZQJTCHPXYJAC-DEOSSOPVSA-N 449.466 5.088 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2cccc(O)c2)cc1 170079629 ZJJQCSMSATZLLW-AREMUKBSSA-N 441.527 5.618 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1cccc(O)c1 170081241 QHVCPCAQMDPEPR-QHCPKHFHSA-N 433.891 5.148 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(F)(F)F)cc3)[C@@H]2c2ccco2)cc1 170095358 DFZKWBYVBHRZQO-LJQANCHMSA-N 427.378 5.390 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccc(OC)cc1 170116813 HONGLUMIUKSVCL-QFIPXVFZSA-N 449.503 5.219 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1C1CCCCC1 170123739 FCNRJRAXUVMDJZ-HSZRJFAPSA-N 431.488 5.352 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccc(C(C)(C)C)cc1 170149710 UQEBPOUZTANTAR-HSZRJFAPSA-N 430.548 5.844 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@H]1c1cccs1 170156243 DRNDZRXIKIDHIR-QFIPXVFZSA-N 433.529 5.465 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1cccs1 170165793 ZTVIWAUJFOZNRA-IBGZPJMESA-N 425.506 5.271 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCC2)c1 170218709 SGRXJLYWLFHAPR-OAQYLSRUSA-N 425.912 5.260 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1 170223526 MNGKHIMTJIVYEF-XMMPIXPASA-N 443.518 6.215 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1 170226283 PZQPRBRVNFNQQL-XMMPIXPASA-N 425.528 6.075 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccccc2)c1 170228178 ZPQFRFVGWSMFKK-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4C)[C@H]3c3ccccc3)oc12 170228938 BLQZLAHVPUYEJQ-QHCPKHFHSA-N 439.467 5.533 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1)c1cccc2ccccc12 170238582 UTASWMNUTMNXET-DEOSSOPVSA-N 441.433 5.901 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@H]1c1ccc(C(C)C)cc1 170245409 XMESBIBQKLFRJE-XMMPIXPASA-N 449.591 6.104 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccc2F)c(C)c1 170249579 PCJTWWMQTVGLQM-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cn(C)c2ccccc12 170269208 KWFLJGTVRXFFLK-VWLOTQADSA-N 442.559 5.436 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccco1 170293007 HIGBDIVSRIQDIM-JOCHJYFZSA-N 430.504 5.059 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc(OCC(C)C)c3)=C(O)C(=O)N2c2ccccc2O)o1 170300966 WOTRONDTMSLVTQ-QHCPKHFHSA-N 447.487 5.111 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2sccc2C)cc1C 170313688 OBKHFCSJXSLFEP-FQEVSTJZSA-N 437.492 5.296 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1sccc1C 170315134 KRKLLPDXCZDVGY-OAQYLSRUSA-N 447.556 5.773 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(CC)cc2)c1 170389817 ZPUQIXHNSFGWAC-RUZDIDTESA-N 441.527 5.821 30 10 IKEE Cc1ccc2c(c1)S/C(=C1\C[C@@H]3[C@@H]4CC[C@@H]5CCCC[C@@]5(C)[C@H]4CC[C@@]3(C)C1=O)S2 253578537 YMDSWPZYGHRYGY-NSUFAGSOSA-N 438.702 8.016 30 10 IKEE C/C(=C\C(=O)c1c(O)c2ccccc2n(C)c1=O)Nc1ccc(N=Nc2ccccc2)cc1 254349234 NDUUHVVPPBPVNQ-HGDJEWAOSA-N 438.487 5.858 30 10 IKEE COc1ccc(N=Cc2nc(-c3ccccc3)oc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 254386118 LWTDZZGXVXAKIK-UHFFFAOYSA-N 443.415 5.228 30 10 IKEE CCSc1nnc(C(F)F)n1N=Cc1ccc(COc2cc(C)c(Cl)c(C)c2)o1 254443487 HOKXCGCPWDHIQJ-UHFFFAOYSA-N 440.903 5.652 30 10 IKEE CC1(C)OB(c2cc(F)ccc2CN(Cc2ccccc2)Cc2ccccc2)OC1(C)C 381500523 OPOLEWBHLPZJDN-UHFFFAOYSA-N 431.360 5.327 30 10 IKEE COc1ccc2c(c1)c([C@H]1C(c3cccs3)=C(O)C(=O)N1c1ccc(C#N)cc1)cn2C 526488953 NPHDGOALGVJAQR-QHCPKHFHSA-N 441.512 5.177 30 10 IKEE Cc1ccsc1[C@@H]1C(c2ccc(Cl)cc2Cl)=C(O)C(=O)N1c1ccc(C#N)cc1 526489421 IMKBGPVICGJROW-IBGZPJMESA-N 441.339 6.292 30 10 IKEE Cc1cc(Cl)ccc1NC1=C(SCc2ccco2)C(=O)N(c2ccc(C#N)cc2)C1=O 526645958 XSTRQJWWNWQPQJ-UHFFFAOYSA-N 449.919 5.243 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(CCCOCC)Cc2cccc(C#N)c2)cc1 586180617 AAIUBUNHVHYKFT-UHFFFAOYSA-N 442.625 5.299 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H]1C(C)(C)[C@]2(C#N)Nc1ccc(Br)cc1 693738088 LAFPUOCYQXQDOV-LLGFUMIMSA-N 434.378 5.179 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)Cc2ccc(Br)cc2)c1 698416274 CPUZPBLGNOWAKG-JOCHJYFZSA-N 429.358 6.024 30 10 IKEE CCCCCCC[C@@H](C(=O)O)N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CCC1 712352103 JVORBJHMYPEZMT-SANMLTNESA-N 449.591 6.604 30 10 IKEE COc1ccccc1OCCSc1nc2ccc(N=Cc3ccccc3O)cc2s1 1084436990 SQCBCMVIRGRVGM-UHFFFAOYSA-N 436.558 5.932 30 10 IKEE Cc1ccccc1/C=N\N=C1/S/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccco1 1554646459 MKCPQCFEXVEKOS-WLUIOLKMSA-N 446.488 5.003 30 10 IKEE COc1ccc(C)cc1NC(=O)[C@@]12CC[C@@](C)(C(=NOC(=O)c3ccccc3)C1)C2(C)C 1772722612 LCOKRTNKXAJJOQ-IZZNHLLZSA-N 434.536 5.372 30 10 IKEE COc1ccc(-c2csc3nc(C(C)C)n(Cc4cccc(C#N)c4)c(=O)c23)cc1C 1857802250 BKHVXMCVSWYIRO-UHFFFAOYSA-N 429.545 5.485 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc(OCC(=O)Nc3cc(Cl)ccc3Cl)c2)c1 1860132251 BENPXQJURLZISP-UHFFFAOYSA-N 440.286 5.135 30 10 IKEE C[C@H](Sc1nc(O)c(C#N)c(-c2ccccc2Cl)n1)C(=O)Nc1ccc(Cl)cc1 1860826953 LZFYNNHDROMEFH-NSHDSACASA-N 445.331 5.147 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCC)NC(=O)c1ccc2nc(C(C)(C)C)[nH]c2c1 1861448085 ZQIBAUKVOKNYOI-HXUWFJFHSA-N 428.621 5.236 30 10 IKEE COc1ccc(-c2nc3ccc(C(=O)Nc4ccccc4C#N)cc3[nH]2)cc1OCC(C)C 1861859258 RGWUHONVJYTRPK-UHFFFAOYSA-N 440.503 5.397 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccccc1C 1862383302 SZRWTMAZMXVWRB-FQEVSTJZSA-N 448.346 5.307 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(OCC)cc1 1862384488 SSZFGYIDUUVPHR-IBGZPJMESA-N 432.303 5.156 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2cccc(C)c2)cc1 1862390157 WYQVOPZVEPXVDI-VWLOTQADSA-N 448.607 5.258 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2ccc3c(c2)OCCO3)cc1 1862397514 QOHINHSODUUPFL-BXKMTCNYSA-N 449.547 5.177 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(F)cc1F)c1cccc(Cl)c1 1862445923 HIOIVSPKVZBBAF-LJQANCHMSA-N 445.874 5.458 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1Br 1862453120 RVUZXBJZAMLVMF-KRWDZBQOSA-N 434.717 5.089 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccccc1 1862456203 MSYHJHRPOXEXFP-JLCFBVMHSA-N 437.417 5.443 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCCCC2)c1 1862479947 UJBHLZFLDSUPTD-VWLOTQADSA-N 447.575 6.085 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cccc(O)c1 1862490013 LZHHAOKIGFVMRY-HYBUGGRVSA-N 435.564 5.946 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 1862533195 JJQGPNJDMGJEMV-AYPBNUJASA-N 448.519 5.314 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2ccc(OC)cc2)cc1 1862535756 KBUKPVUTSYWKBK-RUZDIDTESA-N 441.527 5.345 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2Cc2ccco2)c1 1862537005 MEUPOJAVOMFVMA-XMMPIXPASA-N 445.515 5.409 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2CC)cc1OCC 1862541409 KYAASNAODKGHDQ-QHCPKHFHSA-N 437.536 5.035 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(O)c1 1862580108 DPNZVOCUKYLNBI-FQEVSTJZSA-N 448.346 5.858 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccccc2)cc1 1862616176 SEZUNWSMBUEAQC-RUZDIDTESA-N 439.555 5.805 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccccc2C)cc1F 1862639006 OSTUOZSBDIJHPX-LQNXUBFPSA-N 437.511 5.300 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(N(C)C)cc1 1862650841 FHKAGOLTVBNJKH-XDHUDOTRSA-N 428.532 5.283 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCC(C)C)c1 1862652349 HFIGOIWHVLJOFV-XMMPIXPASA-N 429.516 5.473 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(C(C)C)cc2)=C(O)C(=O)N1[C@@H]1CCCC[C@H]1C 1862660279 JMENVCPZTOILPW-RZPHLTDDSA-N 431.576 6.275 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2cccc(F)c2)cc1 1862662575 IXBCGUCVHYLUNO-YJGRUCBDSA-N 435.539 6.106 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2cccc(F)c2)cc1 1862663252 PXPZCZQEFKHILT-RUZDIDTESA-N 449.566 6.640 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@@H]1c1cccc(Cl)c1)c1ccc(F)cc1 1862675392 JKXSPJHMOCTUEH-JOCHJYFZSA-N 439.914 5.948 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2ccccc2C)c1 1862699576 WCXYIAZPTVPMDB-RUZDIDTESA-N 441.527 5.215 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(Cl)cc2)c1 1862701199 YDLJTOOOLTWWHX-QFIPXVFZSA-N 439.939 5.650 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(C(C)C)c(C)c2)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863284863 GQFKWDPFEZBKDF-UHFFFAOYSA-N 429.347 5.803 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2OCCCC)=C(c2ccc(OCCC)cc2)C1=O 1863347980 UAKCJTHLAKEFOU-UHFFFAOYSA-N 434.536 5.032 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(C)cc2)C(=O)N([C@H](C)c2ccccc2)C1=O 1863623246 ZITGOPMUOJHYJH-HSZRJFAPSA-N 446.635 6.566 30 10 IKEE C=CCNC1=C(c2ccc(OCc3ccccc3)cc2)C(=O)N(C2CCCCCCC2)C1=O 1863707216 DYUKEDQZLNPEDT-UHFFFAOYSA-N 444.575 5.234 30 10 IKEE CCC[C@@H](NC(=O)C[C@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1ccccc1C#N 1866774808 DKNDIUOWGSJUQO-ILBGXUMGSA-N 443.522 5.143 30 10 IKEE Cc1ccc([C@@H](C(=O)N[C@H](C(=O)Nc2cccc(C#N)c2)c2ccccc2)C(C)C)cc1 1866960241 NJOBUDVDNMRLQK-DQEYMECFSA-N 425.532 5.103 30 10 IKEE N#Cc1ccc(NC(=O)[C@@H](NC(=O)[C@H](c2ccc(Cl)cc2)C2CC2)c2ccccc2)cc1 1867001692 NLENTRQRROADTA-ZEQRLZLVSA-N 443.934 5.201 30 10 IKEE C[C@@H]1c2[nH]cnc2CCN1c1cc(Nc2ccccc2C#N)nc(-c2ccccc2Cl)n1 1868419812 WNXRJOCOGWDRHR-OAHLLOKOSA-N 441.926 5.259 30 10 IKEE C[C@@H]1CN(c2cc(Nc3ccccc3C#N)nc(-c3ccccc3Cl)n2)C(C)(C)CO1 1868419839 XJGOMDTUJFCBEX-MRXNPFEDSA-N 433.943 5.416 30 10 IKEE C#CCOc1cn(CCC(C)C)c(CN(Cc2ccccc2)Cc2ccccc2)cc1=O 1870560694 HGAXDCZYGQRERR-UHFFFAOYSA-N 428.576 5.109 30 10 IKEE CCCCCCCCCCn1cc(OCCOc2ccccc2)c(=O)cc1CN(C)C 1870601185 WFBXBCTUQPAVED-UHFFFAOYSA-N 428.617 5.508 30 10 IKEE CCCCCCCCCCn1cc(OCc2cccc(C)c2)c(=O)cc1CN1CCCC1 1870622096 OWGHOEZWDIEUTF-UHFFFAOYSA-N 438.656 6.472 30 10 IKEE C=CCOc1cn(CCCCCCCCCC)c(CNc2ccc(OC)cc2)cc1=O 1870812802 JKTCSBHBEZMMAE-UHFFFAOYSA-N 426.601 6.175 30 10 IKEE C=CCOc1cn(CCCCCC)c(CNc2ccc(Cl)c(C(F)(F)F)c2)cc1=O 1870813743 ZPAWXZBDVCUBHE-UHFFFAOYSA-N 442.909 6.278 30 10 IKEE CCCCCCCOc1cn(CCC(C)C)c(CNc2ccc(C(C)C)cc2)cc1=O 1870833914 ZNJCUHPOGUIQKW-UHFFFAOYSA-N 426.645 6.979 30 10 IKEE CCCCCCCCCCn1cc(OC)c(=O)cc1CNc1cccc(Br)c1 1870998387 WKKMKFVGWIBOMM-UHFFFAOYSA-N 449.433 6.372 30 10 IKEE C=CCn1cc(OCCC)c(=O)cc1CNc1ccc(-c2nc3ccc(C)cc3s2)cc1 1871104426 BHJDEXJHRNWHRB-UHFFFAOYSA-N 445.588 6.020 30 10 IKEE CCCCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CNc1ccccc1 1871256199 YRMADHALFSTTMA-UHFFFAOYSA-N 426.645 7.026 30 10 IKEE CCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CNc1ccc(OCC)cc1 1871257142 CYRFSHIZQXUHAQ-UHFFFAOYSA-N 442.644 6.645 30 10 IKEE O=C1/C(=C/c2cccc(Cl)c2)Oc2cc(OC(=O)c3c(F)cccc3Cl)ccc21 1871375707 ZHJZTIDTCOAUET-GRSHGNNSSA-N 429.230 5.968 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OC(=O)c3ccc(OCC(C)C)cc3)c2C)C1=O 1871382665 ATYFCHLNXFFHKH-MYYYXRDXSA-N 442.511 6.174 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)/C=C/c4ccccc4)c3C)C2=O)cc1OC 1871385085 FDSRPUWQNXBDQE-ZOOSRWFRSA-N 442.467 5.247 30 10 IKEE CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O 1871401887 BODOAQMLDZOSRU-HZRSJKMUSA-N 429.472 5.108 30 10 IKEE Cc1ccc(OCCCCOc2ccc3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)cc1 1871403469 NCHCKQBRMVFVCX-IMRQLAEWSA-N 443.543 5.915 30 10 IKEE Cc1cccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(F)c2)C3=O)c1C 1871413702 NRFAXVQXYQJTME-WTZXFZKGSA-N 445.490 5.773 30 10 IKEE CCc1ccc(NC(=O)[C@H](CC)Oc2ccc3c(c2)O/C(=C\c2ccccc2)C3=O)cc1 1871425802 PKIYBDCGRLUJHA-NAZSJVEXSA-N 427.500 5.661 30 10 IKEE COC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2Cl)C3=O)o1 1871438673 LJUVLVYDOZALBL-ZBKNUEDVSA-N 445.254 5.568 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4CC)cc(C)c3C2=O)cc1 1871458555 CEBXFRKIYFJWCA-MYYYXRDXSA-N 441.527 5.754 30 10 IKEE COc1ccccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1cccc(Cl)c1)C2=O 1871459110 QOTQSGJRKRMEFA-XKZIYDEJSA-N 449.890 5.291 30 10 IKEE CCCCCCCCCCN=c1nc(N2CCCCC2)[nH]c(=Nc2cccc(OC)c2)[nH]1 1871665916 GYAKKTJRUGNVHX-UHFFFAOYSA-N 440.636 5.011 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(CC)cc1)[C@@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1872096204 BBZQKWMNFCUWSV-HTAPYJJXSA-N 449.016 5.133 30 10 IKEE C=CCN([C@@H](CC)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(=O)(=O)c1ccccc1 1872210445 FBUAZEVZXOTEGR-VWLOTQADSA-N 448.588 5.256 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccc(C)cc3)n2)cc1 1872770430 TWKPKDSEZNFUSD-JOCHJYFZSA-N 434.561 5.943 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(Cl)cc3Cl)n2)cc1C 1872782619 LMQHPPBJGXBKRL-JHTBKMLMSA-N 427.356 6.623 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@@H](C#N)C(=O)c2cccc(NC(C)=O)c2)n1 1872786554 NAAHNXUANKMNKB-KRWDZBQOSA-N 439.924 5.229 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 1872890652 HEVAPMMRKLUBJC-UHFFFAOYSA-N 440.678 7.459 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H]2CCCC[C@@H]2C)=C(c2ccc(Cl)cc2)C1=O 1873138458 RCPJBSINIGDCRY-RXVVDRJESA-N 431.020 5.949 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2C(=O)OC)=C(c2ccccc2C)C1=O 1873305823 XHNSYMIAQXSRAR-UHFFFAOYSA-N 448.563 5.334 30 10 IKEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3ccccc3[C@H](C)CC)c(=O)oc2c1 1873917675 SZEOZOLRMOTZFC-GOSISDBHSA-N 433.548 6.141 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1ccc(C)cc1 1874224244 AKGNTNMUCBVKQG-YZSQISJMSA-N 434.609 5.711 30 10 IKEE CCSc1nnc(CCCOc2ccccc2)n1/N=C/c1ccc(N(CC)CC)cc1 1874316755 IZSKYCSIJCGSOM-NCELDCMTSA-N 437.613 5.130 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OC)cc2)n1/N=C/c1ccccc1OC(C)C 1874350127 VYIOYFLVPRBOKE-MFKUBSTISA-N 436.581 5.215 30 10 IKEE C=CCSc1nnc(Cc2ccc(OC)cc2)n1/N=C/c1ccc(Cl)cc1Cl 1874351874 IYKWZLQZSUFGQH-YDZHTSKRSA-N 433.364 5.345 30 10 IKEE Cc1ccccc1CSc1nnc(COCc2ccccc2)n1/N=C/c1cccc(F)c1 1874352798 BWHQFZRSVALULT-JFLMPSFJSA-N 446.551 5.617 30 10 IKEE CCCCOc1ccc(/C=N/n2c(COc3ccccc3)nnc2SC)cc1OCC 1874382218 DWUZTNNETMTVHW-LFVJCYFKSA-N 440.569 5.039 30 10 IKEE Fc1ccc(CSc2nnc(Cc3cccs3)n2/N=C/c2ccccc2Cl)cc1 1874410192 HQYMIKRHJTWTPB-ZMOGYAJESA-N 442.972 5.897 30 10 IKEE C=C(C)CSc1nnc(CC(C)(C)C)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874437976 CQVVBSGAEQCLSC-WGOQTCKBSA-N 448.592 5.636 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(SCc2ccccc2F)nnc1[C@@H]1CCCO1 1874446089 SGRPMNXFHMTVBE-NFCNUSAFSA-N 440.544 5.230 30 10 IKEE O=[N+]([O-])c1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C(F)(F)F)cc1 1874461878 GPLVADXKPYPZSE-LSFURLLWSA-N 441.822 5.033 30 10 IKEE FC(F)(F)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1cccs1 1874463148 VFAJQASFLWNUGL-QPSGOUHRSA-N 437.299 5.840 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874485169 IAKWTTNUXDLVRE-WSDLNYQXSA-N 429.933 5.312 30 10 IKEE Cc1ccsc1/C=N/n1c(SCc2ccc(Cl)cc2Cl)nnc1C1CCC1 1874497355 GKZCITHUJZEAFI-LSHDLFTRSA-N 437.421 6.397 30 10 IKEE Clc1cccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CC2)c1 1874523492 RZFYTEKNXWAGFG-AUEPDCJTSA-N 437.783 6.290 30 10 IKEE CCN(CC)c1ccc(/C=N/n2cnnc2SCc2c(Cl)cccc2Cl)cc1 1874539087 MRWNNCKENLJPTD-WYMPLXKRSA-N 434.396 5.606 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(S)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874561165 GQYZFHUOCQTKOE-AEIQVQRHSA-N 448.979 5.833 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)NCc3ccco3)c2)cc1 1874593460 KZDIUKIFCIMSMQ-GXDHUFHOSA-N 447.531 5.222 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1OCc1cccc(F)c1 1874593625 SXARECDZUFHFKS-VZUCSPMQSA-N 441.296 6.072 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OCc2c(F)cccc2Cl)c1 1874601211 ZBCUJCJDRDGKRI-CSKARUKUSA-N 431.290 6.616 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(Cl)c1OCc1ccc(F)cc1 1874605343 MPSGPVMTMKYMDU-FMIVXFBMSA-N 440.898 6.362 30 10 IKEE C=CCOc1c(Br)cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1OC 1874622835 XWVQMDWJKTTXBP-KPKJPENVSA-N 429.354 6.216 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc(OC)c1OCC(=O)OC 1874638616 JOXMPXPOIZIEEK-ACCUITESSA-N 446.499 5.033 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)ccc2OC)c1 1874698265 OESXWHWYDVQMNT-NTUHNPAUSA-N 447.443 5.117 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OC(=O)CCCOc1ccccc1 1874713556 CJZXPRUXGQMPML-NTCAYCPXSA-N 444.527 5.973 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3sccc3C)c(OC)c2)cc1 1875108004 TVFTUWRKLDPLPP-UKTHLTGXSA-N 434.557 6.523 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])c(Cl)c1)c1ccccc1Cl 1875113771 XBYUQEUZDBKKKK-PKNBQFBNSA-N 442.254 6.017 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)cc(Br)c1OC(=O)C(C)C 1875119801 NHGJAYQADJHNAZ-ZHACJKMWSA-N 447.325 5.314 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC(=O)Cc1ccccc1F 1875124755 AIOSTMATIRKYKN-YRNVUSSQSA-N 440.417 5.547 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2Cl)cc1 1875128166 QVVNILUMJVTDAV-RIYZIHGNSA-N 436.891 5.619 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3F)c([N+](=O)[O-])c2)cc1 1875130126 KNXJAGBHQVCPOG-NTUHNPAUSA-N 449.434 5.177 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)c1cccs1 1875141284 WWZXLYDWAWVZHN-RMKNXTFCSA-N 426.465 5.328 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1ccc2c(c1)OCO2 1875142675 OQXNOMNVNCNRHS-RUDMXATFSA-N 448.446 5.377 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)c1cccs1 1875155876 DRFLOBWOEMWXBM-IZZDOVSWSA-N 440.948 6.649 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)C(C)C)c(OCC)c2)c1 1875172393 RYTWXIJNJXTIGW-FMIVXFBMSA-N 426.509 5.340 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1ccc2c(c1)OCO2 1875178925 JYYLKFOYYYWWMQ-WEVVVXLNSA-N 430.456 5.156 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)[C@@H]2CC[C@@H]21 1880190841 MZKHEYBDKFWBJN-OHUGHZGNSA-N 441.572 5.105 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)N(c3ccccc3)c3ccccc3)ccc21 1891735177 QWHGYGPRHJADDG-UHFFFAOYSA-N 441.531 5.994 30 10 IKEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)NCc3ccc(-c4ccc(C)cc4)cc3)n[nH]2)c1C 1892300415 YBPMIRQGZQWRRI-UHFFFAOYSA-N 439.563 5.372 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@](C)(O)c1ccc(Br)cc1Cl 1922064837 IFSOSLPIKYSTBJ-RTWAWAEBSA-N 438.793 5.061 30 10 IKEE C=C[C@@](CCC)(NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](CCCC)C(=O)O 1927514228 QVQBUNQEHFJAOK-SQHAQQRYSA-N 435.564 6.141 30 10 IKEE CC[C@](C#N)(CCNC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1936966354 VRLLMUNTTKKDPY-JOCHJYFZSA-N 437.968 5.669 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@H](NC(=O)OC(C)(C)C)C(C)C)c1 1941061809 OUCDWFSDRJDVSC-DVECYGJZSA-N 431.577 5.568 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1cscc1Cl 1942310257 WQPGOYAWVGBEHG-HNNXBMFYSA-N 427.751 6.170 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@](C#N)(N(C(=O)OC(C)(C)C)c1cccc(Cl)c1)C2 1950026205 MZEOOHPCSHSDQR-WIRVKHDMSA-N 447.963 5.373 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)OC(C)(C)C)NCCC 2007959576 XFMQEFZXAYMPMV-UARRHKHWSA-N 428.617 5.306 30 10 IKEE C=CCCCCCCCC[C@H](CN(Cc1ccccc1)C(=O)OC(C)(C)C)NCCC 2026310663 SKBGFKRPTXNTLK-RUZDIDTESA-N 430.677 7.099 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)C1(C#N)C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2033850095 ZTRLMCVHCWFRMF-XZQOPNAISA-N 435.543 5.657 30 10 IKEE CC(=O)N(c1nc(C=C2SC(=Nc3ccccc3)NC2=O)cs1)c1c(C)cccc1C 2040447131 OLJYJAAXEUIPNA-UHFFFAOYSA-N 448.573 5.336 30 10 IKEE O=Cc1c(C(F)(F)F)nn([C@@H](c2ccc(C(F)(F)F)cc2F)C2CCC2)c1Cl 2079971489 HTPPCSBFBVIMGF-CYBMUJFWSA-N 428.735 5.915 30 10 IKEE CC(C)c1ccc([C@H](C)n2nc(C(F)(F)F)c(C#N)c2I)cc1 2079978980 JSOLTYVGXFMTFF-JTQLQIEISA-N 433.215 5.111 30 10 IKEE CC(C)[C@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(C)(C)C)c(C#N)c1Br 2080034654 OQVAEDLVMBVXPE-OAHLLOKOSA-N 446.286 6.218 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@@]1(C#N)CN(Cc2ccccc2)C2(CCCC2)C1 2100069178 ZQBGABCXBLLJBC-MHZLTWQESA-N 449.570 6.048 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(Br)ccc(Cl)c1F 2102883053 UXQYTPQEESZRFD-PBHICJAKSA-N 447.776 5.199 30 10 IKEE Cc1cc(OCc2ccccc2)ccc1NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2199712487 BTMNRVKDRBPEPD-UHFFFAOYSA-N 443.352 5.126 30 10 IKEE C=C(Cl)C[C@@H](NCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2221690922 WKYNWRLEFZHQGI-SJORKVTESA-N 431.802 5.006 30 10 IKEE C=CCCCCCCC(=O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237432028 PXLZXYLMOIVMDQ-LJQANCHMSA-N 438.406 5.981 30 10 IKEE C=C(COC)[C@H](OCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2275662569 VWGGXZVHMDKZGC-MHZLTWQESA-N 448.515 5.190 30 10 IKEE CN[C@H](C#Cc1ccc(Br)cc1)CC1(NC(=O)OC(C)(C)C)CCCCC1 2296311082 RSYDTXODOBYZHF-LJQANCHMSA-N 435.406 5.006 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)CN(C(=O)OC(C)(C)C)C(C)(C)C 2296311631 ZKIQXEWXNPJVBG-IBGZPJMESA-N 437.422 5.204 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(O)c3CN3CCC[C@H](C)C3)C2=O)c2cc(OC)ccc21 2296606478 CYWOHMRXGGESRQ-KRWDZBQOSA-N 446.547 5.224 30 10 IKEE CCCCCCCOc1ccc(C=C2SC(=S)N(N=Cc3ccccc3)C2=O)cc1 2296819153 COIIFHAEXFDIGO-UHFFFAOYSA-N 438.618 6.271 30 10 IKEE CCc1ccc2oc(-c3cc(N=CC=Cc4ccc(Br)cc4)ccc3O)nc2c1 2297193192 WYCAJGGUYHLPFJ-UHFFFAOYSA-N 447.332 6.941 30 10 IKEE CCOc1cc(C=C2SC(=Nc3ccccc3)NC2=O)ccc1OCc1ccccc1 2297227435 HBAZJXWSXXDZGY-UHFFFAOYSA-N 430.529 5.556 30 10 IKEE CCCc1ccc2c(N)c(C(=O)Nc3ccc(C(=O)C=Cc4cccs4)cc3)sc2n1 2297556930 VCAPLXIOBMSHOO-UHFFFAOYSA-N 447.585 6.041 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C1CC1 2298255247 WXTDDJPETARBKX-VXNXHJTFSA-N 428.617 5.163 30 10 IKEE CCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1cccc(OC(C)C)c1 2318582034 LTMVJPLXBXGJPG-UHFFFAOYSA-N 439.541 5.101 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2319198590 BAPMKSNHSRMQEU-HQRMLTQVSA-N 447.551 5.543 30 10 IKEE CCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1N=Cc1ccc(C(C)C)cc1 2320927715 LJAHJQTURYTHOL-UHFFFAOYSA-N 435.597 5.194 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(C)n2N=Cc2ccc(Cl)c(Cl)c2)c1 2321068701 CDISSYBFRWWZKJ-UHFFFAOYSA-N 448.379 5.123 30 10 IKEE CCCCC[C@@H](CC)N1COc2cc(C)c3c(c2C1)OC(=Cc1ccccc1Cl)C3=O 2322072579 ACMWPCPRTSZINE-LJQANCHMSA-N 439.983 6.775 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccccc1Cl)C3=O)CN(Cc1ccc(F)cc1)CO2 2322348162 SHDLHWRYCILUER-UHFFFAOYSA-N 435.882 5.756 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccccc2OCc2nc(O)c3ccccc3n2)cc1 2322391321 ROAYYUUVYVTMRL-UHFFFAOYSA-N 438.527 6.153 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2cccc3ccccc23)cc1C 2322416179 WKSIEMYZDJYHHL-UHFFFAOYSA-N 438.523 6.641 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1c(OCc2ccccc2F)ccc2ccccc12 2322641947 AIBFGQMWZQXZOK-UHFFFAOYSA-N 426.487 6.771 30 10 IKEE Cc1c(OC(=O)c2ccc(C(C)(C)C)cc2)ccc2c1OC(=Cc1cccc(Cl)c1)C2=O 2322737784 NBIYFGMEBCDLTM-UHFFFAOYSA-N 446.930 6.781 30 10 IKEE Cc1c(OC(=O)C2CCCCC2)ccc2c1OC(=Cc1ccc(Cl)cc1Cl)C2=O 2322747932 KPCVRJRSLIDGIE-UHFFFAOYSA-N 431.315 6.404 30 10 IKEE COc1ccc(CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1 2322904284 DKKXHOJJBOGPLW-UHFFFAOYSA-N 442.511 5.891 30 10 IKEE CCN(CC)C(=O)COc1ccc(Cl)cc1C=CC(=O)c1cc(C(C)(C)C)ccc1C 2322961375 CHTFEERIYKBDKE-UHFFFAOYSA-N 441.999 6.089 30 10 IKEE CCOC(=O)c1ccc(COc2ccccc2C=CC(=O)c2ccc(OC)c(Cl)c2)o1 2322974866 ZUZXHWYQXLOAST-UHFFFAOYSA-N 440.879 5.593 30 10 IKEE COc1ccc(C=NNc2nc(O)cc(-c3ccccc3)n2)cc1OCc1ccc(C)cc1 2323259380 WWSTWRNJDSQVKS-UHFFFAOYSA-N 440.503 5.191 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)C=Cc1ccc(C(C)C)cc1 2323259691 RIPDVEQZHCYRQB-HSZRJFAPSA-N 432.674 5.538 30 10 IKEE Cc1cc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(F)c2)C3=O)ccc1[N+](=O)[O-] 2323279613 HESWDQXCQOQGQC-UHFFFAOYSA-N 433.391 5.186 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)cc(Cl)c1OCc1ccccc1C 2323608650 GOXWHLOVROMGRQ-UHFFFAOYSA-N 441.354 7.176 30 10 IKEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3cccc(Br)c3)cc2)o1 2323651995 CEHZACUWAJEUGQ-UHFFFAOYSA-N 441.277 5.304 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OCC(=O)Nc1ccccc1F 2323743427 WNEYYKRLHPMQPL-UHFFFAOYSA-N 441.405 5.026 30 10 IKEE CCCOc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(CC)cc2)C3=O)cc1 2323831343 YNRQMBAZNMPCCX-UHFFFAOYSA-N 442.511 6.182 30 10 IKEE O=C1C(=Cc2cccnc2)Oc2c1ccc(O)c2CN(C1CCCCC1)C1CCCCC1 2324042019 VZWGTRIJLDFBDT-UHFFFAOYSA-N 432.564 5.871 30 10 IKEE Cc1cc(OCC(=O)OCc2ccccc2)cc2c1C(=O)C(=Cc1ccccc1Cl)O2 2324221001 DHVNOHMMZVPVEZ-UHFFFAOYSA-N 434.875 5.387 30 10 IKEE COc1ccc(OC)c(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(C(C)C)cc3)n2)c1 2324583917 RGUYFCAXEJEOTG-OAQYLSRUSA-N 432.545 5.840 30 10 IKEE CCCC[C@@H](Oc1ccc2c(c1C)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O)C(=O)O 2324784535 MDSSKFPZNCPTLA-GOSISDBHSA-N 435.303 5.940 30 10 IKEE O=C1C(=Cc2ccc(-c3ccccc3)cc2)Oc2cc(OCCN3CCCCC3)ccc21 2325701184 LPDKMTABPOGCPW-UHFFFAOYSA-N 425.528 5.835 30 10 IKEE CCc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1 2325722384 GBYJRJGOAYYEQS-UHFFFAOYSA-N 441.527 6.006 30 10 IKEE COc1ccccc1C(=O)C=Cc1cccc(OC(=O)COc2c(C)ccc(C)c2C)c1 2325724171 OJKSGLWSOOODDV-UHFFFAOYSA-N 430.500 5.501 30 10 IKEE CCCCCCCCC(=O)Oc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OC 2325727738 DKPMDYAGXSXKJT-UHFFFAOYSA-N 428.956 6.901 30 10 IKEE COc1ccc(CC(=O)Oc2cc(C=CC(=O)c3ccc(F)c(C)c3)ccc2OC)cc1 2325741173 VUEUKMXJFKMRCE-UHFFFAOYSA-N 434.463 5.196 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Br)c(O)c(Br)c2)cc1 2325790665 MZCRKSIHAFBGIU-UHFFFAOYSA-N 438.159 6.156 30 10 IKEE CCOc1c(Cl)cc(C=Nn2c(C)nnc2SCc2ccc(F)cc2)cc1Cl 2326238191 VXAOEDQVXMIWLA-UHFFFAOYSA-N 439.343 5.606 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2Cl)n1N=Cc1ccc(Cl)cc1 2327649305 WVFHOFGREDIILB-UHFFFAOYSA-N 433.364 5.714 30 10 IKEE CCCCC1CCC(c2nnc(SC)n2N=Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 2328106591 ZPPXQXCEWCKWRC-UHFFFAOYSA-N 435.981 5.908 30 10 IKEE C=CCOc1ccccc1C=Nn1c(COCc2ccccc2)nnc1SCC(=C)C 2329339587 HBHQBEGBKDDTSG-UHFFFAOYSA-N 434.565 5.110 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccccc2F)cc1C 2329398055 HZEJMQSDUDPYJT-UHFFFAOYSA-N 448.542 5.938 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3F)n2N=Cc2ccccn2)c1 2329745781 JZGKGHHHSRQYAQ-UHFFFAOYSA-N 431.540 5.194 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(Cc2ccccc2)n1N=Cc1ccncc1 2330521931 QZLJEZOCGAKNCA-UHFFFAOYSA-N 437.931 5.231 30 10 IKEE Fc1ccc(C=Nn2c(SCc3ccccc3F)nnc2-c2cccs2)c(F)c1 2330583082 DTRFEFUTCWIYHG-UHFFFAOYSA-N 430.480 5.598 30 10 IKEE Oc1ccc(Cl)cc1C=Nn1c(SCc2ccccc2F)nnc1-c1cccs1 2330583379 OPRLHECYQLBZES-UHFFFAOYSA-N 444.944 5.679 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)CC3CCCCC3)c(OC)c2)cc1 2330951189 SWGZCGRRWNDHFC-UHFFFAOYSA-N 442.939 6.129 30 10 IKEE Oc1cccc(C=Nn2c(SCc3cccc4ccccc34)nnc2[C@@H]2CCCO2)c1 2330979690 OZKMNUGHTNYEGA-QFIPXVFZSA-N 430.533 5.163 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1[N+](=O)[O-])c1ccc(F)cc1 2331092978 LDWRYDIKZCHKBE-UHFFFAOYSA-N 427.334 5.127 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)cc([N+](=O)[O-])c1OC(=O)C(C)(C)C 2331129428 BSXRKLIGOOVUFB-UHFFFAOYSA-N 431.872 5.495 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3ccc(F)cc3)nnc2-c2ccco2)c1 2331177933 XRKQHGCZLUNWCY-UHFFFAOYSA-N 436.512 5.641 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3)c([N+](=O)[O-])c2)cc1 2331201592 KJPSDPDCZFRTMU-UHFFFAOYSA-N 445.471 5.428 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Br)c1OC(=O)C1CCC1 2331344095 PNVQPWFJRRRTCI-UHFFFAOYSA-N 447.300 5.507 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(Cl)cc3)cc2)cc1 2331411134 RJGWQEJOLWLTND-UHFFFAOYSA-N 432.947 6.682 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccc(Cl)cc3)cc2)cc1 2331411680 BJIYGQBQKIEJMV-UHFFFAOYSA-N 446.974 7.072 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1 2331412519 FSUMNUFWUXUVOX-UHFFFAOYSA-N 442.599 7.002 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1 2331432780 YATDZFPNGWWYNU-UHFFFAOYSA-N 436.847 5.193 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc(Cl)ccc3Cl)cc2)cc1F 2331451113 OMLNOCHUBMDSPE-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cncc(C)c3)c(Cl)c2)cc1F 2331455806 PUZIAWAWVLTMLR-UHFFFAOYSA-N 425.843 5.306 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2cccc(Cl)c2)c1 2331494219 LWLIRGAMOXROQF-UHFFFAOYSA-N 439.972 5.120 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1[N+](=O)[O-] 2331649059 UKQKUVKNLKFLGB-UHFFFAOYSA-N 443.499 6.252 30 10 IKEE COc1cc(C(=O)C=Cc2ccc(OC(=O)c3cccc(C)c3)cc2)c(OC)cc1Cl 2331687354 UNVVCAVFWPIKHY-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3c(C)cccc3C)c(Cl)c2)cc1C 2331706198 JNTAJYHZEDEPLZ-UHFFFAOYSA-N 448.946 6.454 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c([N+](=O)[O-])c2)cc1C 2331707369 XEYBAJSSDYJZPZ-UHFFFAOYSA-N 446.415 5.235 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C(=O)C#Cc2ccc(Br)cc2)c(Cl)c1 2335971648 DGHOHEWPAHBEBX-UHFFFAOYSA-N 434.717 5.684 30 10 IKEE CC(C)N[C@@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)[C@@H]1CC12CCC2 2344981309 SIEUFIIGEIRMFA-PXJZQJOASA-N 444.667 5.071 30 10 IKEE CCN1/C(=C/C(=O)C(C)(C)Oc2ccc(Cl)cc2)C(C)(C)c2c1ccc1ccccc21 6147151 UGWPQDNALZHHOC-HAVVHWLPSA-N 433.979 6.921 30 10 IKEE Cc1cc(C)cc(C#C/C=C/c2cc3c(-c4cc(C)cc(C)c4)cccc3c3ccccc23)c1 8384068 MTEFTDGYUVZCHJ-IZZDOVSWSA-N 436.598 8.959 30 10 IKEE C=CCN(C(=O)Cn1c(SCc2ccc(C)cc2)nc2ccncc21)c1ccccc1 8913028 LBKKGIHACLJXEJ-UHFFFAOYSA-N 428.561 5.251 30 10 IKEE C=CCn1c(COc2cc(C)cc(C)c2)nnc1SCC(=O)Nc1cccc(C)c1C 14125874 SPGBBHUMJWCULP-UHFFFAOYSA-N 436.581 5.008 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccncc2)cc1OC 20883581 QMZNMBTYIPKJOB-PPHZAIPVSA-N 441.531 5.468 30 10 IKEE Cc1ccc2c(Cl)c(/C(O)=N/c3nnc(SCc4ccccc4F)s3)sc2c1 33413457 XATHINNXHNRYNA-UHFFFAOYSA-N 449.985 6.782 30 10 IKEE COc1cccc(/C=C2/Oc3cc(OC(=O)c4ccccc4Cl)ccc3C2=O)c1OC 33629854 NHALFUIWFHBRER-CIAFOILYSA-N 436.847 5.193 30 10 IKEE Cc1cccc(NC(=O)[C@@]23CC[C@@](C)(/C(=N/OC(=O)c4ccc([N+](=O)[O-])cc4)C2)C3(C)C)c1 33960532 JXCHIQHHPDVDMC-STCJDUAWSA-N 449.507 5.271 30 10 IKEE N#Cc1ccc(CSc2nnc(-c3ccco3)n2-c2ccc(Cl)c(Cl)c2)cc1 35840233 RKCMLPNFEPUCFP-UHFFFAOYSA-N 427.316 5.998 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccc(C(C)(C)C)cc1 38161821 BIFLSKHEQSOZCR-MYYYXRDXSA-N 427.017 6.356 30 10 IKEE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\Oc3cc(C)c(C)cc3C2=O)cc1 39842720 PWBPFYPWOPBAJD-PKAZHMFMSA-N 448.522 6.337 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccc(F)cc1 40080982 BXSWYUAQGCPPFS-JOCHJYFZSA-N 425.500 5.239 30 10 IKEE C=Cc1ccc(COc2ccc3c(c2C)O/C(=C\c2ccc(OC)c(OC)c2)C3=O)cc1 41504356 PZJAZZFTXOMFQG-MYYYXRDXSA-N 428.484 5.850 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1cccc([N+](=O)[O-])c1)C3=O)CN([C@@H](C)c1ccccc1)CO2 41587255 HVSKCPFUJSUVQF-QWUOEIFBSA-N 442.471 5.433 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc4c(c1)OCO4)O3)CN([C@@H](C)c1ccccc1)CO2 41650168 HWLCGCUWVAELMK-VJUVOTIISA-N 441.483 5.253 30 10 IKEE C=C(C)COc1ccccc1NCC(=O)Nc1cccc(C(=O)N[C@H](C)c2ccccc2)c1 66062928 CSQUTYFYKOULMN-HXUWFJFHSA-N 443.547 5.183 30 10 IKEE CCCCCCCOc1cccc(NCCNc2cccc(OCCCCCC)c2)c1 100054470 UKWIQMAEGOMOPP-UHFFFAOYSA-N 426.645 7.519 30 10 IKEE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)/C(=N\Nc2ccccc2)CC(C)(C)C3)c1 101108822 YEPBNWFNUCBNPQ-BRPDVVIDSA-N 447.535 5.646 30 10 IKEE CC(C)c1ccc(NC(=O)C[C@H]2S/C(=N/c3cccc(C(F)(F)F)c3)N(C)C2=O)cc1 103891059 BDVUPDOPKYNLCH-BJKXRTFMSA-N 449.498 5.419 30 10 IKEE O=C(C[C@H]1S/C(=N\C2CCCCC2)N(C2CCCCC2)C1=O)Nc1ccc(F)cc1 106699261 YKRFKKVQHCNZTG-HZYJKNPPSA-N 431.577 5.120 30 10 IKEE CCOc1cc(/C=N\n2c(S)nnc2-c2ccccc2)ccc1OCc1ccccc1 169911883 SBXVKUKNWLNMAT-XYGWBWBKSA-N 430.533 5.094 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2cc(C)cc(C)c2)cc1 169922436 LZPBVUXPHAXWFN-XMMPIXPASA-N 427.500 5.403 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccc(OC)c2)cc1 169929326 FDJNLCUJSMMQTJ-HSZRJFAPSA-N 431.463 5.180 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2OC)cc1 169942258 UVWYOUPRTBMZMN-QHCPKHFHSA-N 447.918 5.694 30 10 IKEE CCCOc1c(/C=N\Nc2nc(-c3ccc(OC)cc3OC)cs2)cccc1OC 169943082 FHBWKPLVKRCJSM-QRVIBDJDSA-N 427.526 5.071 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(OC(C)C)cc2)cc1 169979246 GGLVFEJZUYYVEN-XMMPIXPASA-N 433.548 5.557 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@@H]2c2ccncc2)c1 170018242 PKVLTXJIBRCCJD-OAQYLSRUSA-N 436.870 5.274 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 170057495 ANSFUSRAROFLCM-FQEVSTJZSA-N 442.273 5.915 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(O)cc2)cc1C 170131777 GRFFPBMRFWQJNJ-HSZRJFAPSA-N 447.462 5.021 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1cccc(OC(C)C)c1 170153673 CPKNBCRJFDCCRG-QFIPXVFZSA-N 449.503 5.217 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1ccccn1)c1ccc2ccccc2c1 170177062 HVLLDXBFALWQEW-QHCPKHFHSA-N 442.421 5.296 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccncc2)cc1C 170202393 OCASGPWRDPXFAV-VWLOTQADSA-N 434.495 5.635 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccccc1 170221856 YCOCJSXHAICAKA-HSZRJFAPSA-N 445.584 6.133 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1c[nH]c2ccccc12)c1ccc(Cl)cc1 170254261 NWLJPCVEFCHJEB-QFIPXVFZSA-N 428.875 5.604 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCO3)=C(O)C(=O)N1c1ccc(F)cc1 170271275 IFAGHWOGYDCGQR-XMMPIXPASA-N 443.474 5.242 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2C)cc1C 170274202 IIYJWUJSPBLDJT-XMMPIXPASA-N 445.515 5.464 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccco2)cc1C 170287102 GGAFRNALISJSJM-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccco2)cc1C(C)(C)C 170287496 MTIGJXLWBJKHSY-HSZRJFAPSA-N 445.515 5.677 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2ccco2)cc1 170290870 MIGMHSVDFNFPPT-OAQYLSRUSA-N 439.414 5.130 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(C)o1 170299613 IJAPMIMXUVZBBM-NRFANRHFSA-N 435.451 5.135 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccc(C)o2)c(C)c1 170304690 SYDRLNYNRJTCLS-HSZRJFAPSA-N 426.472 5.469 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2sccc2C)c1 170314947 LMEDCKTWHAFPAM-LJQANCHMSA-N 439.920 5.501 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(OCC(C)C)cc2)c1 170350038 FWUYTOPMQDQXCX-QHCPKHFHSA-N 431.488 5.406 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)C(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 170466494 VWHVNRQQRWBSPP-QHCPKHFHSA-N 435.564 5.898 30 10 IKEE Cc1cc2sc(N3C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]3c3cccnc3)nc2cc1Cl 170482716 BHQBYLUCROXQBL-KRWDZBQOSA-N 441.940 5.168 30 10 IKEE Cc1cc(-n2ncc(C#N)c2Nc2ccc(-c3ccc(F)cc3)nn2)nc2c(C)cccc12 170547544 BHUGOKAEARRZHZ-UHFFFAOYSA-N 435.466 5.249 30 10 IKEE CC(=NNc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)OC3)c1ccccc1 254286947 BAZSWVFNELLLQD-UHFFFAOYSA-N 444.560 5.135 30 10 IKEE Cc1ccc(N=C2Sc3nc4cc5c(cc4cc3CN2C[C@H]2CCCO2)OCO5)cc1 254399812 GSAYFZRGXUXTRX-LJQANCHMSA-N 433.533 5.046 30 10 IKEE CC1(C)OB(c2ccccc2COc2cc(F)c(Cl)cc2Br)OC1(C)C 380084556 BOIXDIIORLAZHI-UHFFFAOYSA-N 441.533 5.120 30 10 IKEE CCOc1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1Cl 526606662 IJPHVSTVCOJXIX-QHCPKHFHSA-N 448.881 5.807 30 10 IKEE CCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1ccc(Cl)cc1Cl 526805952 NUFPIYURNSHHJZ-MXAYSNPKSA-N 447.435 6.619 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccc(N(CC)CC)cc1 526811128 BWPVNHPBXWGQKX-XYGWBWBKSA-N 442.032 5.905 30 10 IKEE COc1ccc(/C=N\n2cnnc2SCc2c(Cl)cccc2Cl)c(Cl)c1O 526813701 BXDHFIZSAWOZDZ-HOEBFWFUSA-N 443.743 5.127 30 10 IKEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1ccc(O)c(Cl)c1 526814979 RROLTLZMHDUNHS-WNFQYIGGSA-N 427.744 5.427 30 10 IKEE C=C(C)CN(c1ccc(Br)c(C)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586243830 MXCXLEQIJPLFEN-UHFFFAOYSA-N 449.197 5.836 30 10 IKEE C=C(C)CN(c1cccc(OC(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586244998 LHMAEMBSCWVTAB-UHFFFAOYSA-N 440.270 5.663 30 10 IKEE COc1ccc(Cl)cc1S(=O)(=O)N(Cc1cccc(C#N)c1)c1cc(C)cc(C)c1 586259262 UWDAJRMGABWGKN-UHFFFAOYSA-N 440.952 5.233 30 10 IKEE Clc1ccc(C=NN=CC2=C(N3CCOCC3)/C(=C/c3ccccc3)CC2)c(Cl)c1 606347745 YGXDHBMIXAEQOA-IAKOGYANSA-N 440.374 5.862 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1ccc2c(c1)OCO2 698469872 NXHZZPOTODAFBK-MRXNPFEDSA-N 431.286 5.184 30 10 IKEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@@H](C#N)c1cc(Br)ccc1Cl 698828809 OILSTKLRCYPRGH-LBPRGKRZSA-N 427.648 5.467 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@H](C#N)c1ccc(Br)cc1Cl 698869001 YAVIBPOFQSMATB-MRXNPFEDSA-N 441.778 6.166 30 10 IKEE C[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)CN1Cc1ccccc1 698900361 FMYQJUAXGFGTQG-UUOWRZLLSA-N 425.960 5.638 30 10 IKEE C=C1/C(=C/C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCC[C@](C)(O)CO)CC[C@@]23C)C[C@@H](O)C[C@@H]1O 725412707 BRKISPKRHSKJQO-PCWOLFJESA-N 446.672 5.067 30 10 IKEE COc1ccc(-c2nc(N=Cc3ccccc3F)sc2-c2ccc([N+](=O)[O-])cc2)cc1 1083927683 CJMFPYQMSJXHDJ-UHFFFAOYSA-N 433.464 6.284 30 10 IKEE O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C/c1cccn1-c1ccc(Cl)cc1 1083950220 BREZPACFMFOLNN-GZTJUZNOSA-N 448.762 6.329 30 10 IKEE O=C1C(=NNc2cc(Cl)ccc2Cl)c2ccccc2N1Cc1cccc2ccccc12 1083995806 FSPKPSDKVMZVPJ-UHFFFAOYSA-N 446.337 6.510 30 10 IKEE CCOc1ccc([C@@H](C)NC(=O)/C=C/c2cn(CCC#N)c3ccccc23)cc1OCC 1087351841 VQEWPBGCHZEUGU-XYDKVEKUSA-N 431.536 5.243 30 10 IKEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1CCCc1nccs1 1359255855 MSUQXOSEZGVRCV-UHFFFAOYSA-N 444.564 5.000 30 10 IKEE Cc1ccc(N=C(CS(=O)(=O)Cc2ccccc2)C(F)(F)C(F)(F)C(F)F)cc1 1565517662 FWXAOSKQIDOVAJ-UHFFFAOYSA-N 437.405 5.218 30 10 IKEE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)C(=NO)CC(C)(C)C4)ccc21 1772728528 MCTRSSAIHWVNCE-UHFFFAOYSA-N 429.520 6.119 30 10 IKEE CCc1ccc(/C=C2/SC(=Nc3cccnc3Cl)N(C3CCCCC3)C2=O)cc1 1772733551 NTRILSIVRPKZFO-SUYASHRRSA-N 425.985 6.234 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=Nc1ccncc1Cl 1772733685 NZEXJASIGXVMLL-FZOVEGBXSA-N 440.868 5.137 30 10 IKEE CCCCOc1ccc(/C=C2/SC(=Nc3cccnc3Cl)N(C)C2=O)cc1OC 1772735990 JZIYSGPQNKGMGL-DHTRNYPVSA-N 431.945 5.156 30 10 IKEE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N\NC(=S)Nc2ccccc2)cc1 1857810673 BKDXZMUQAXDDPW-ONUIUJJFSA-N 441.560 5.259 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CC)NC(=O)c1ccc2[nH]c(-c3ccc(C)cc3)nc2c1 1861434488 LWSSQKQDQPIJJP-JOCHJYFZSA-N 448.611 5.523 30 10 IKEE CCCCCCCCNC(=O)[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1ccccc1 1861669038 IROSPSHEWWXJCZ-XXBNENTESA-N 445.003 5.442 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1c(Cl)cccc1Cl 1862405372 BXEYJTZZBPVVPX-RBZFPXEDSA-N 448.346 5.687 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(F)cc2F)=C(O)C(=O)N1Cc1cccs1 1862411670 MVJUFTIIPANXMU-FQEVSTJZSA-N 425.456 5.113 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1cccc(F)c1 1862414299 WTIYWTQPYBORRY-RCDICMHDSA-N 437.417 5.443 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccccc1Cl 1862436427 SKTRTWJBBOYQFR-HXUWFJFHSA-N 440.883 5.159 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(C(C)C)cc1 1862463849 LOQOTMCWHXMMGI-JOCHJYFZSA-N 445.481 5.996 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc2cc[nH]c2c1 1862476458 AKYABMUINBHIFM-DHLKQENFSA-N 444.575 6.414 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc(N(C)C)cc2)cc1 1862477876 UMBCIZZEKKQSOA-ANJVHQHFSA-N 432.564 5.218 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCCC)cc1 1862509372 GKNVJSQVMBBUQF-HSZRJFAPSA-N 439.527 5.691 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccc(F)cc2F)cc1 1862535377 YQEOQYYDVAXAFH-UPCLLVRISA-N 447.481 5.867 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(O)c(OC)c1 1862549564 RNEZXDUOIYIPMR-DEOSSOPVSA-N 449.547 5.048 30 10 IKEE CN(C)c1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862559052 GPLYRQGSNOPAIP-DEOSSOPVSA-N 447.579 5.026 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(F)cc1F 1862559983 AZBIVLMKFWNNFE-GCJKJVERSA-N 442.506 5.484 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(C(C)C)cc1 1862583772 JSZLFVCNHFGPHY-FQEVSTJZSA-N 430.331 5.881 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(Cl)cc1 1862584312 VKQWXCOBWUECRF-ADLMAVQZSA-N 438.738 6.024 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccc1 1862649129 QTQRTKCMBWQPFE-BCHFMIIMSA-N 433.507 6.179 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2cccc(F)c2)c1 1862702914 OYBGHNVTSLBRHX-HSZRJFAPSA-N 437.511 5.526 30 10 IKEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2cccc(C)c2)cc1 1862732564 ITERCEMYTSRMAL-RUZDIDTESA-N 449.591 6.331 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCOCCCC)=C(c2ccc(F)c(C)c2)C1=O 1863791809 KBFZPFGLIBWZSR-UHFFFAOYSA-N 446.607 5.371 30 10 IKEE C=CCOC(=O)c1sc(NC(=O)CCCc2ccc(C)cc2C)c(C(=O)OCC)c1C 1865740302 QJEBGTDQONEFJA-UHFFFAOYSA-N 443.565 5.154 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N1CCn2c(C#N)ccc2[C@@H]1C 1866342523 OGNMTKHJGBOORY-DEOSSOPVSA-N 427.677 7.524 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccccc2)cn1Cc1ccccc1Cl 1870465475 BDBVESGTWPEICF-UHFFFAOYSA-N 434.967 5.303 30 10 IKEE C=CCOc1cn(CCCOCCCC)c(CNc2cccc(C(F)(F)F)c2)cc1=O 1870810872 WEVZLLJEVVBKGK-UHFFFAOYSA-N 438.490 5.251 30 10 IKEE C=CCOc1cn(CCCCCCCC)c(CNc2cccc(Br)c2)cc1=O 1870812585 WNBDWTUEKXGFSP-UHFFFAOYSA-N 447.417 6.148 30 10 IKEE CCCCCCCOc1cn(Cc2cccnc2)c(CNc2ccc(OCC)cc2)cc1=O 1870830785 YXMAEFKPONUQBD-UHFFFAOYSA-N 449.595 5.652 30 10 IKEE CCCCCCCOc1cn(C[C@H]2CCCO2)c(CNc2ccc(Cl)cc2C)cc1=O 1870833480 KVHHCBQQEIIQJA-JOCHJYFZSA-N 447.019 5.950 30 10 IKEE C#CCOc1cn(CCc2ccc(F)cc2)c(CNc2ccc(OCCCC)cc2)cc1=O 1871004737 UWVOEQZCFBRFFM-UHFFFAOYSA-N 448.538 5.033 30 10 IKEE C#CCOc1cn(Cc2cccc(C)c2)c(CNc2ccc(Cc3ccccc3)cc2)cc1=O 1871004773 WSMWTMCFNHEOEC-UHFFFAOYSA-N 448.566 5.420 30 10 IKEE C=CCn1cc(OCCCOc2ccc(C)cc2)c(=O)cc1CNc1ccc(F)c(F)c1 1871216260 MEFOUALUDWFJAO-UHFFFAOYSA-N 440.490 5.081 30 10 IKEE O=C(/C=C/c1ccco1)Oc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O 1871369471 MYCNDBMMJCCQBY-QUPHNUHQSA-N 437.245 5.277 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)cc1C 1871372392 OUPRBEXGGMBXBN-XKZIYDEJSA-N 429.428 5.355 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OC(=O)c3cccc(OC(C)C)c3)cc(C)c2C1=O 1871388108 IUVSPSHYNHHNPD-OYKKKHCWSA-N 444.483 5.626 30 10 IKEE Cc1c(OCCCCOc2ccccc2)ccc2c1O/C(=C\C=C\c1ccccc1)C2=O 1871403780 ZSUAQBNDONXKKJ-IYLOJVAXSA-N 426.512 6.405 30 10 IKEE COc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O 1871412339 RLARVYSZNOZTRH-KSJDGYIASA-N 449.890 5.371 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871430159 BAEUXTGPEDNFSX-JLPGSUDCSA-N 435.564 5.762 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCCc4ccc(C)cc4)cc(C)c3C2=O)c(OC)c1 1871437548 HLPPCTHFZVCWFT-QFEZKATASA-N 430.500 5.558 30 10 IKEE CCOC(=O)c1ccc(COc2cc(C)c3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)o1 1871439016 DDTIOMAJBXOXBC-QRVIBDJDSA-N 447.487 5.026 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OCCN4CCCCC4)cc(C)c3C2=O)c2ccccc21 1871451278 MRPCFVZWEFIMMB-XYGWBWBKSA-N 430.548 5.451 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)c1 1871454829 ZUANVYXMCVFZBP-FMCGGJTJSA-N 447.918 5.899 30 10 IKEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1871878437 GHHGKYFSXFTUEL-NRFANRHFSA-N 449.016 5.249 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(Cl)cc1C)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872489301 WPNZODBQTJJHGJ-QFIPXVFZSA-N 449.016 5.105 30 10 IKEE COc1cc(OC)c(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)nc3)n2)cc1Cl 1872782226 HLQVBJGEKZSDBY-GFCCVEGCSA-N 434.304 5.019 30 10 IKEE COc1cc(-c2csc([C@@H](C#N)C(=O)c3ccc(C)c(C)c3)n2)c(OC)cc1Cl 1872783092 REGXVTYBHXWILK-INIZCTEOSA-N 426.925 5.588 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccc(Cl)cc3)n2)cc1Cl 1872785969 YBSOUSVXKXLYQF-WBMJQRKESA-N 447.343 5.769 30 10 IKEE N#C[C@@H](C(=O)/C=C/c1ccccc1Cl)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872787260 FOZWJLQJMHABJW-PXTSUWAFSA-N 433.747 6.660 30 10 IKEE C=CCc1ccccc1OCc1cccc(C(=O)Nc2ccc(N(CC)CC)cc2C)c1 1872833938 IJDQIBNIMGZJKK-UHFFFAOYSA-N 428.576 6.401 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@H]2CCCC[C@@H]2C)=C(c2ccccc2F)C1=O 1873031155 OFNVCUKGPNRPGW-REWPJTCUSA-N 442.619 6.215 30 10 IKEE C=CCN1C(=O)C(NCc2ccc(Cl)cc2)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873082515 KAXURQQUBHOXRE-UHFFFAOYSA-N 428.919 5.063 30 10 IKEE CCCCCCCCNC1=C(c2cc(C)ccc2C)C(=O)N(CCCCCCCC)C1=O 1873150863 NYGRZEWFTWXZQN-UHFFFAOYSA-N 440.672 6.694 30 10 IKEE C=CCSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1c[nH]c2ccccc12 1874226704 YAUSUNOLNQFYFA-WPWMEQJKSA-N 445.592 5.548 30 10 IKEE CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1c(F)cccc1Cl 1874244026 KSPVYYPVRZXTQC-DHRITJCHSA-N 432.996 5.824 30 10 IKEE CCCOc1ccccc1/C=N/n1c(COc2ccccc2Cl)nnc1SCCC 1874267959 YCDYZTSRMFDXJS-BUVRLJJBSA-N 444.988 5.684 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(CCc2ccccc2Cl)nnc1SC 1874275888 KSNWCFWMCXEONO-MFKUBSTISA-N 436.968 5.483 30 10 IKEE CCCOc1ccccc1/C=N/n1c(CCc2ccccc2Cl)nnc1SCC 1874276568 SFFPBHMOEFSKFL-LFVJCYFKSA-N 428.989 5.500 30 10 IKEE CCSc1nnc(CCCOc2ccccc2)n1/N=C/c1ccc(Cl)cc1Cl 1874317091 VUWRWJUUWRZXPL-OEAKJJBVSA-N 435.380 5.591 30 10 IKEE CCCSc1nnc(-c2ccccc2Cl)n1/N=C/c1cccc(OC)c1OCC 1874368123 WDKUPKHQVCIJLL-OEAKJJBVSA-N 430.961 5.390 30 10 IKEE C=C(C)CSc1nnc(Cc2ccccc2F)n1/N=C/c1cccc(Br)c1 1874375684 IUHFVVKFFKYWCB-FSJBWODESA-N 445.361 5.321 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(CCc3ccccc3)n2/N=C/c2ccccc2)cc1 1874403213 TXDSGTOHPGRYHP-KOEQRZSOSA-N 443.532 5.146 30 10 IKEE Cc1ccsc1/C=N/n1c(CCc2ccccc2)nnc1SCCc1ccccc1 1874403815 ULCWGRMQWKXLIJ-XIEYBQDHSA-N 432.618 5.650 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccco2)n1/N=C/c1cn(C)c2ccccc12 1874464371 GOTAIBIHKJJTTB-AFUMVMLFSA-N 427.533 5.513 30 10 IKEE CCCCc1nnc(SCc2nc(O)c3ccccc3n2)n1/N=C/c1ccc(CC)cc1 1874479594 HWGLKYMWYANGNI-MFKUBSTISA-N 446.580 5.006 30 10 IKEE CCSc1nnc(C(C)(C)C)n1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1874481858 BNVNIOHATDEBJG-WPWMEQJKSA-N 444.604 6.302 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2ccccc2C)c1 1874493648 XISFECNWABFIAR-AFUMVMLFSA-N 433.581 5.084 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1c[nH]c2ccccc12 1874511071 JDMNOQQRPNHKIJ-BRJLIKDPSA-N 444.391 6.193 30 10 IKEE Fc1ccc(F)c(OCc2nnc(S)n2/N=C/c2cccc(Oc3ccccc3)c2)c1 1874566707 JZCURHNLLAIYLY-DHRITJCHSA-N 438.459 5.099 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1ccccc1)c1cccc(Br)c1 1874575831 IXAOGNYDGRKQNY-PKNBQFBNSA-N 427.725 6.578 30 10 IKEE CCCOC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(Cl)c(Cl)c1 1874579004 RQJKDDDGYXUGPW-PKNBQFBNSA-N 443.326 6.375 30 10 IKEE Cc1ccc(C)c(COc2ccc3ccccc3c2/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c1 1874581836 IPXWYAOKCHTYMZ-ISLYRVAYSA-N 448.606 8.229 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)c(C)c1C 1874586329 IRIPLWCMAHVSQR-FMIVXFBMSA-N 441.354 7.094 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCc3ccc(C)cc3)ccc3ccccc23)c(C)c1C 1874586651 XRILCAIKNBSJKW-JQIJEIRASA-N 436.551 7.249 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 1874609487 UKGMADPATAJHAP-WTDSWWLTSA-N 447.745 7.131 30 10 IKEE Cc1cccc(COc2ccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)cc2[N+](=O)[O-])c1 1874620823 UYWNYTBATMZWLY-VMPITWQZSA-N 431.444 5.150 30 10 IKEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3cc(C(C)(C)C)ccc3OC)cc2)o1 1874624559 JICSGGYWSKSCHA-MDWZMJQESA-N 448.515 5.847 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(-n3cccc3)cc2)c1)c1cccc([N+](=O)[O-])c1 1874692770 WPXLDNQTGOYLDP-NTEUORMPSA-N 438.439 5.501 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(F)c(C)c3)c2)cc1OC 1874694156 OICVQAFQBSPJKF-DHZHZOJOSA-N 434.463 5.196 30 10 IKEE O=C(Oc1cccc(/C=C/C(=O)c2ccccc2Cl)c1)c1ccc(Cl)c(Cl)c1 1874697011 RGBACFRCLAUDFW-DHZHZOJOSA-N 431.702 6.762 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OC(=O)C12CC3CC(CC(C3)C1)C2 1874714016 ZXELZEAHKAXYBD-VMPITWQZSA-N 444.571 6.330 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc(C(F)(F)F)cc3)c2)c(C)c1 1874716349 OBNHLMNEGHTLEI-KPKJPENVSA-N 438.445 6.746 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 1875100063 LZNMKTAUZZXOJL-WLRTZDKTSA-N 435.863 5.926 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OC(=O)Cc1ccc(C)cc1 1875112176 VKHQCGHRXBMHQY-WYMLVPIESA-N 434.919 6.091 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OC(=O)c1ccc(C)c(C)c1 1875127184 ROAPLZNUJCQUFU-ACCUITESSA-N 434.919 6.471 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)c1cnc(C)cn1 1875131242 NMEPHTJPKBMXBK-SOFGYWHQSA-N 436.895 5.179 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccc(Cl)c(Cl)c1 1875133992 HORNOEMLYIWMMN-IZZDOVSWSA-N 442.254 6.017 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 1875134189 MXVLERVXUGJSLA-FMIVXFBMSA-N 431.444 5.336 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)COc1ccccc1OC 1875137102 VYQAISDXTBUPPJ-RVDMUPIBSA-N 446.499 5.283 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)c(C)c3)c(OC)c2)cc1 1875139038 ORESYSJFQRIYTF-VGOFMYFVSA-N 444.527 6.216 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1ccc(CC)cc1 1875142641 MSMKZGCDQYKIDC-RIYZIHGNSA-N 432.491 6.211 30 10 IKEE O=C(Cc1ccc(F)cc1F)Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1 1875153889 CODSWXUNLKZESR-XNTDXEJSSA-N 428.434 6.162 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2cc(OC)c(OC(C)=O)c(OC)c2)cc1 1875159068 APJRKMFVGIVXLK-XNTDXEJSSA-N 440.536 5.874 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)[C@@H](C)c2ccccc2)c(Cl)c1 1875170823 RMLVQLACNNLXJR-RDELFYGPSA-N 448.946 6.571 30 10 IKEE C=CCn1c(C(=O)N(CC)CCCC)cc2c(NCc3ccc(Cl)cc3)ncnc21 1875230907 RXUNVGWRAVYEER-UHFFFAOYSA-N 425.964 5.145 30 10 IKEE CCC#CC[C@@H](NCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875652267 ROARUBBWDXPIKG-GGXMVOPNSA-N 443.587 5.660 30 10 IKEE C=CCCCCC[C@H](N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875689739 LIEHUCLLDOILOY-WNJJXGMVSA-N 445.603 6.342 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)Cc3cc(Cl)cc(Cl)c3)cc21 1890583193 QGGGNUQZKSPRLZ-UHFFFAOYSA-N 433.335 5.112 30 10 IKEE C=C(COCc1ccccc1)[C@H](N)[C@H](O)c1ccc(-c2cccc(Br)c2)s1 1922064047 BFKSDMMWLQLWGG-FCHUYYIVSA-N 444.394 5.311 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)C(C)(C)c1ccc(NC(=O)OC(C)(C)C)cc1 1922119358 NJRYWAQXCBOSNE-XMMPIXPASA-N 438.612 6.062 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCCC2(CCC2)[C@]1(C#N)N(CC1CC1)C(=O)OC(C)(C)C 1924834206 WJTXFECQWCYXRJ-KBMIEXCESA-N 447.620 5.391 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1ccc(C)c(C)c1NC(=O)OC(C)(C)C 1925613828 YIQHFEYIFZDEAO-XMMPIXPASA-N 438.612 6.464 30 10 IKEE CC(C)(C)OC(=O)NCC[C@H]1CC[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 1933917138 MGVDGVONWCTLBH-KBMIEXCESA-N 443.588 5.401 30 10 IKEE CCN[C@@H](CC#CC1CCCCC1)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1946524192 WWVYRQUEOJNURM-BJKOFHAPSA-N 428.617 5.048 30 10 IKEE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)c1ccc(C#N)cc1Br 1957284208 KGVSTSDTHAGILF-UHFFFAOYSA-N 444.373 5.242 30 10 IKEE CC(C)(C)OC(=O)NCCC1CC(C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 2007655225 BVTUFCSHUGZUIQ-UHFFFAOYSA-N 449.979 5.669 30 10 IKEE C=CCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 2018644580 CSCCQLZKYFRAEJ-DEOSSOPVSA-N 433.593 5.406 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C)([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 2022136326 TWJLMECEDSZGSN-WZONZLPQSA-N 433.524 5.106 30 10 IKEE C=CCCCCCCC(=O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2026011618 DOWBGRMBUKHNMY-AREMUKBSSA-N 429.601 5.926 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CC12CCC(C#N)(N(C(=O)OC(C)(C)C)c1ccccc1)CC2 2030099235 CLTVPRSFEAZSSS-CCYWVKEMSA-N 441.572 5.548 30 10 IKEE CCC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(OC)c1 2033622520 BWOUABBYOISHDH-FXAWDEMLSA-N 447.576 5.270 30 10 IKEE CCCCCCCCCCCCC(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2034444244 ZORUXNQOJCSZIO-DEOSSOPVSA-N 447.660 6.977 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCC[C@@H]2OCc2ccccc2)c1 2043763168 QEVNBZLLXDYVHO-JYFHCDHNSA-N 436.552 5.858 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)cc1Cl)NCCC 2063090493 QGPACODIUQMTCT-DLBZAZTESA-N 431.802 5.093 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@H](C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2077948325 RNZKLNJFBSIGAI-RTBURBONSA-N 447.551 5.495 30 10 IKEE CCc1ccc([C@@H](C2CCC2)n2nc(C3CC3)c(C#N)c2I)cc1 2079071494 PJOQCJYSDMSVLN-LJQANCHMSA-N 431.321 5.189 30 10 IKEE COc1ccc([C@H](n2nc(C(F)(F)F)c(C#N)c2Br)C2(C)CC2)c(C)c1 2079928819 LRZPHTGPFQCGET-HNNXBMFYSA-N 428.252 5.243 30 10 IKEE CC(C)(C)OC(=O)N1CCC(CCCNc2ccc(C#N)c(Br)c2F)CC1 2162389072 GITDAFZSPNPVST-UHFFFAOYSA-N 440.357 5.299 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1c1cccc(Br)c1C#N 2174813234 TXIFFBRGWGFUMF-RBUKOAKNSA-N 434.378 5.079 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)C[C@H]2CCC[C@@](F)(C2)C1 2175557811 YNTCFFNSKNYRLQ-IWMITWMQSA-N 437.353 6.145 30 10 IKEE CN(c1ccc(C#N)c(Br)c1)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1 2197457523 CVTNVWXEPAXVMV-IBGZPJMESA-N 430.346 5.023 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1)NCC 2224059310 KSZJVHFBABFUMX-LOSJGSFVSA-N 438.612 5.436 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1Cc2ccc(Nc3ccc(Br)cc3C#N)cc2C1 2234127243 TXUPSBAAPJRSJN-SFHVURJKSA-N 428.330 5.056 30 10 IKEE C=CCCCCCCC[C@@H](N)[C@H](O)c1cc(Br)c(Br)s1 2235520740 CASCMJBTGKLQMW-OCCSQVGLSA-N 425.230 5.551 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](CC(=O)C#Cc1ccccc1Br)c1ccccc1 2235718043 KXOJJPGGIXTSRK-FQEVSTJZSA-N 428.326 5.026 30 10 IKEE CC#CCCCC[C@@H](NC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237409427 OELAIMWMWVBEFJ-WOJBJXKFSA-N 437.422 5.057 30 10 IKEE C=CCCC1(C(=O)c2ccc(Br)c(Cl)c2)CN(C(=O)OC(C)(C)C)C1 2254922408 SPEGXVAPHRSWJB-UHFFFAOYSA-N 428.754 5.489 30 10 IKEE CCN[C@H](C#CC1CCCCC1)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2289681768 NUOXBXMEUVWUEC-LJQANCHMSA-N 435.406 6.030 30 10 IKEE O=C(O)c1ccc(O)c(C=Nc2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)c1 2297710311 PDHOLEBNKBHYCM-UHFFFAOYSA-N 427.243 5.956 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C 2299161482 LJOUBSRLCIYBJI-MOPGFXCFSA-N 429.561 5.274 30 10 IKEE COCc1ccc(CN(C(=O)OC(C)(C)C)C2(C#N)CC(OCc3ccccc3)C2)s1 2303028177 ROHLKCAYRVPJCU-UHFFFAOYSA-N 442.581 5.273 30 10 IKEE COc1ccccc1C(=O)Oc1cccc(C=CC(=O)c2ccc(Br)cc2)c1 2314429235 BNJOIKZNTVOTPL-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccccc1C(F)(F)F 2318572083 ZSNWQSQNNWJLJI-UHFFFAOYSA-N 446.542 6.431 30 10 IKEE N#Cc1nc([C@H]2C[C@H]2c2ccccc2)oc1NN=Cc1cccc(OCc2ccccc2)c1 2320837379 URGMFKKQCBMGLP-ZEQRLZLVSA-N 434.499 5.842 30 10 IKEE CCOc1c(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CC2)cccc1OC 2320880674 NQCUWPAIXVELGP-UHFFFAOYSA-N 442.972 5.391 30 10 IKEE CCCCCOc1ccc(C=Nn2c(S)nnc2CCc2ccc(Cl)cc2)cc1 2322114873 MQKQQAMINGOMBN-UHFFFAOYSA-N 428.989 5.457 30 10 IKEE CCCOc1ccc(C=Nn2c(S)nnc2CCc2ccccc2Cl)cc1OCC 2322119870 VXMRORDGMVTYJV-UHFFFAOYSA-N 444.988 5.075 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc3c2CN(CCc2cccs2)CO3)C1=O 2322193406 KYXFROQPWJKZGC-UHFFFAOYSA-N 433.529 5.158 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2ccccc2F)cc1 2322371137 GRZFXYRXGWGJBT-UHFFFAOYSA-N 433.479 5.310 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(Cl)cc2Cl)c1OCc1ccccc1Cl 2322391175 CYRDFVKXYWYRLF-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Cl)cc(OC)c1OCc1cccc(Cl)c1 2322481484 UIIDHCFWQCXPNF-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(F)cc2F)c1OCc1cccc(Cl)c1 2322501476 ZMBXCBSRHYEJMS-UHFFFAOYSA-N 449.280 6.755 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2c(OCc3ccccc3F)ccc3ccccc23)cc1 2322684292 YQWYVALTMJSKPB-UHFFFAOYSA-N 438.542 7.752 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCc2ccccc2F)cc1F 2322708512 ZWHKTOMIITUTKJ-UHFFFAOYSA-N 444.861 6.111 30 10 IKEE CCCNC(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccc(OC)c(C)c1C 2322818709 LTRNRIOQIJTHAU-UHFFFAOYSA-N 431.532 5.266 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2cccc(C=CC(=O)c3ccc(C(C)C)cc3)c2)c1 2323212552 AWWFKMVBNAWGOZ-UHFFFAOYSA-N 427.544 6.340 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Br)cc2)ccc1OCc1cccc(C)c1 2323602011 RJJBZHNPJROEDA-UHFFFAOYSA-N 437.333 6.241 30 10 IKEE C=CCN(CC=C)Cc1c(O)cc(C)c2c1OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2324084467 MVKHQROWJQQPNJ-UHFFFAOYSA-N 437.539 6.158 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2)c(C)c1 2324154293 HDEXDDFXORNUHL-UHFFFAOYSA-N 427.544 6.340 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c1 2324383306 GHRLBMPGRCZQJA-UHFFFAOYSA-N 447.487 5.867 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2)cc2c1C(=O)C(=Cc1cccc(Cl)c1)O2 2324404243 LZUZOTMEOPRUDW-INIZCTEOSA-N 433.891 5.671 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)c1OCc1cccc(C)c1 2324451633 ICHPVXVPSPKJPH-UHFFFAOYSA-N 434.963 7.139 30 10 IKEE Cc1ccccc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc(N(C)C)cc1)C2=O 2325714733 CCFAYDXEMASPOU-UHFFFAOYSA-N 442.515 5.003 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)OC(=CC=Cc2ccccc2)C3=O)cc1 2325715694 BEGDBVCIQPZVPB-UHFFFAOYSA-N 425.484 5.493 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2OC)cc1OC(=O)Cc1ccc(F)c(C)c1 2325722806 BTQPOUXHXOTRSY-UHFFFAOYSA-N 434.463 5.196 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2cccc(C=CC(=O)c3ccccc3OC)c2)cc1 2325724372 SLBGEVWUIHOFNS-UHFFFAOYSA-N 444.527 5.918 30 10 IKEE Cc1cc(C)c(NC(=O)COc2ccc3c(c2C)OC(=Cc2cccc(F)c2)C3=O)c(C)c1 2325736801 CTQAROJITTVTLT-UHFFFAOYSA-N 445.490 5.693 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)c3cccc(Cl)c3)c2)cc1C(C)C 2325754125 IAGOTFHIOXRVLB-UHFFFAOYSA-N 448.946 6.896 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)COc3ccc(Cl)c(C)c3)c2)c(C)c1 2325764675 GUOSQKHIXHTVDM-UHFFFAOYSA-N 448.946 6.454 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccccc2O)c(C)c1 2326460777 SYBNYQHLNZLSKD-UHFFFAOYSA-N 428.561 5.366 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2OCC)n1N=Cc1sccc1C 2326832392 UVLAWZMBOYZMHB-UHFFFAOYSA-N 428.583 5.176 30 10 IKEE CCCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1cc(OC)ccc1OC 2327771928 HBOMAQMBSYKSND-UHFFFAOYSA-N 446.576 5.424 30 10 IKEE COc1ccc(Cc2nnc(SCc3cc(C)ccc3C)n2N=Cc2ccco2)cc1 2329278066 LWEFJDHQKBJPPA-UHFFFAOYSA-N 432.549 5.262 30 10 IKEE CCSc1nnc(-c2ccccc2Cl)n1N=Cc1cccc(OCc2ccccc2)c1 2329560579 VWLHHHQFNFHRSQ-UHFFFAOYSA-N 448.979 6.172 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccccc3Cl)n2N=Cc2ccccc2)c1 2329577012 KHNLICBBYNAESI-UHFFFAOYSA-N 432.980 6.390 30 10 IKEE CCCSc1nnc(Cc2ccc(F)cc2)n1N=Cc1cccc(Br)c1 2329854685 OOEUWKYEXSNTLY-UHFFFAOYSA-N 433.350 5.155 30 10 IKEE Cc1ccc(CSc2nnc(CC3CCCCC3)n2N=Cc2ccc(Cl)cc2)cc1 2330222087 YBKMIFKSJILUEU-UHFFFAOYSA-N 439.028 6.537 30 10 IKEE Cc1cccc(CSc2nnc(-c3cccs3)n2N=Cc2ccc(F)cc2F)c1 2330548800 YZZMBLHPJVEMBS-UHFFFAOYSA-N 426.517 5.768 30 10 IKEE Fc1cccc(C=Nn2c(SCc3cccc4ccccc34)nnc2-c2cccs2)c1 2330596633 PADAMOPAEZNDSF-UHFFFAOYSA-N 444.560 6.473 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)CC1CCCCC1 2330821933 FFEUUUNOXFWHAU-UHFFFAOYSA-N 447.358 6.774 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(CC(C)(C)C)n2N=Cc2cccc(C)c2)o1 2330835095 RPDAPSNDUJZAER-UHFFFAOYSA-N 440.569 5.119 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1 2330949386 JCVRYRWRISPWLJ-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)COc3cccc(C)c3C)c(Cl)c2)c1 2331319813 NZCWUDHYYMQCTH-UHFFFAOYSA-N 448.946 6.454 30 10 IKEE COc1ccc(C=Nn2c(CC(C)C)nnc2SCc2ccccc2Cl)cc1O 2331456773 DWYODYNOKAEUPC-UHFFFAOYSA-N 430.961 5.019 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)c1cccc2ccccc12 2331540115 JJHFFXGWGMPJHZ-UHFFFAOYSA-N 426.443 6.103 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)cc2)cc1 2331643558 BDYZXYKYQMKQIT-UHFFFAOYSA-N 428.528 6.434 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2ccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)cc2)cc1 2331644830 UOTZEFDPQSPCBS-UHFFFAOYSA-N 442.511 5.961 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)CCOc2ccccc2)cc1 2331659492 MXOGCFWXXVMPNT-UHFFFAOYSA-N 430.500 5.583 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(C3CC3)n2N=Cc2ccccc2Cl)c1 2331717657 ZZCXCFDFVFZKLZ-UHFFFAOYSA-N 439.972 5.039 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)C(C)(C)C)c([N+](=O)[O-])c2)c2ccccc12 2331869435 DQEPSNVQSHZBPK-UHFFFAOYSA-N 433.460 5.604 30 10 IKEE C#CCCOc1cc(-c2ccc(C)s2)cc2c1OCCN(C(=O)Cc1ccccc1)C2 12161838 NEWMWQZUHODAQB-UHFFFAOYSA-N 431.557 5.089 30 10 IKEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2 14477044 TVVZGBKXERMXOP-VFCRVFHLSA-N 435.376 5.284 30 10 IKEE C=CCNC(=O)c1ccccc1NC(=O)c1ccc(OCCC(C)C)c(Br)c1 14645494 WWRSUYUXTBBNPA-UHFFFAOYSA-N 445.357 5.042 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccn2)cc1OC 20885128 DCWDATADGWFGTP-MYUZEXMDSA-N 441.531 5.468 30 10 IKEE CCn1nc(C)c(CN/C(=N/C(=O)c2ccc(C(C)(C)C)cc2)Nc2ccc(C)cc2)c1C 32971634 UBOIRUFTVMQWOP-UHFFFAOYSA-N 445.611 5.524 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(C(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 34954053 VXRVCHYXGLPFPJ-UKTHLTGXSA-N 427.283 6.117 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2c2nccs2)cc1 35420748 LARMWQFPCHDOAN-GUIXVQPWSA-N 444.556 5.623 30 10 IKEE CCOc1ccc2oc(C)c(C(=O)Oc3ccc4c(c3)O/C(=C/c3ccncc3)C4=O)c2c1 35550523 ALIAMASYOCNYRK-FSJBWODESA-N 441.439 5.370 30 10 IKEE C=CCC[C@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC 36305903 KZILNBPWUIAVBO-QFIPXVFZSA-N 449.595 5.427 30 10 IKEE CCCCCCSc1nc(-c2ccc(SC(F)F)cc2)cc(C(F)(F)F)c1C#N 39858450 VCWURYRCYKQJFZ-UHFFFAOYSA-N 446.510 7.626 30 10 IKEE C=CCc1ccccc1OCCCn1c(CNC(=O)c2ccccc2F)nc2ccccc21 40277995 OINHNSLPXNLUJM-UHFFFAOYSA-N 443.522 5.303 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc3c2CN(Cc2ccc(OC)cc2)CO3)C1=O 41656382 XPYUGCPLPJRESX-QFEZKATASA-N 443.499 5.062 30 10 IKEE CCCCCCCCCCCCCCCCCCNC(=O)NC[C@@H]1CCS(=O)(=O)C1 59568222 YQDWGULYKWQCRX-QHCPKHFHSA-N 444.726 5.982 30 10 IKEE CCCCCCCOc1ccc2ccccc2c1[C@@H]1Nc2ccccc2C(=O)N1[C@H](C)CC 100139540 IJVACSKBDASVJD-LYZGTLIUSA-N 444.619 7.554 30 10 IKEE CCCC/N=C(\C=C1\SN(CC)C(=S)N1c1ccccc1)c1ccc(Cl)cc1 100177102 OPWCBPGPXAQPKY-ZVTWKFDFSA-N 430.042 6.546 30 10 IKEE CCCCCCCCCCCCCC(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1 100442032 RJNBRVGLFILYBY-UHFFFAOYSA-N 442.688 7.731 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@@H](c2cccc(OCc3cccc(Cl)c3)c2)NC(=S)N1 169938401 XMXCXWSIUGBSOX-HSZRJFAPSA-N 448.975 5.595 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3ccccc3)c(C)s2)cc(Br)c1OC 169940388 XQSXGPIKGXTEGW-UUYOSTAYSA-N 446.370 5.734 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccc(C)c2)c1 169966232 XPGOWLKDXAFONB-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2cccc(C)c2)cc1 169969274 MPZJLZVPZPDAJF-RUZDIDTESA-N 441.527 5.793 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2cccc(C)c2)cc1 169970218 RSGUWACMOPZDID-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1cccs1 169988309 YOWIJQQHCRIFSI-HXUWFJFHSA-N 441.455 5.126 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2cccnc2)c1 170005429 FJCCMBBIUNHBDV-JOCHJYFZSA-N 432.907 5.443 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4cc(F)ccc4[nH]3)[C@@H]2c2ccccc2)cc1C 170056318 VHBGIJWFZIPCDA-JOCHJYFZSA-N 441.462 5.102 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(Cl)cc2)c(C)c1 170059646 FAIIIYMMAJDZEL-JOCHJYFZSA-N 439.939 5.568 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccccc2)cc1 170113498 AWUGKDXHNFBTLV-HSZRJFAPSA-N 425.440 5.224 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@@H]1c1ccc(OC)cc1 170116834 XUVHEZGJOJMDCP-QHCPKHFHSA-N 437.536 5.089 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1cccc(OC)c1 170121180 ZYVVWAPXMCFVOF-DEOSSOPVSA-N 449.591 6.070 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccccn2)cc1 170175561 ILGMTTMDOGYYLZ-DEOSSOPVSA-N 442.515 5.270 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccccn1)c1ccc(Cl)c(Cl)c1 170179324 QYXPEILDAULOSA-IBGZPJMESA-N 431.319 5.299 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)cc(C)c3OC)[C@H]2c2ccncc2)cc1 170201106 BOCBKWUSIYHVNI-HSZRJFAPSA-N 442.515 5.052 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1ccccc1)c1ccc2c(c1)CCCC2 170224575 UMTYPZDRJNGCTI-DEOSSOPVSA-N 425.484 5.054 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(Cl)cc1)c1ccc2c(c1)CCCO2 170235533 ZCTCEMRJKVGTAP-QFIPXVFZSA-N 449.890 5.037 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccc(F)cc1 170243956 DNSJFUKJGIYJDZ-NRFANRHFSA-N 437.467 5.349 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@@H]1c1ccc(C(C)C)cc1 170245459 CQTIDEQJOFNYEE-VWLOTQADSA-N 449.591 6.239 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccccc1F)c1cccc2ccccc12 170250840 DTBPUMIWMGNGOY-DEOSSOPVSA-N 438.458 5.152 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@H]2c2ccco2)c1 170282766 QSKLRDIMHLXJGK-XMMPIXPASA-N 445.515 5.775 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2ccc(F)cc2F)o1 170305938 VWMISSMFOPSSHH-QHCPKHFHSA-N 445.421 5.802 30 10 IKEE C=CCOc1cc(C(=O)N2CCC(c3nc(-c4ccc(F)cc4)no3)CC2)cc2occc12 222300283 XAXLDPDLPMFIJN-UHFFFAOYSA-N 447.466 5.207 30 10 IKEE CCCCCCCCCCCCCCc1ccc(N=Nc2ccc(N)c3ccccc23)cc1 252615307 JQZMFOKYTVTCEW-UHFFFAOYSA-N 443.679 10.081 30 10 IKEE CC[C@H](C)Oc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 253573196 RDMIUSADMAGBOC-JLDOJFOQSA-N 438.571 6.843 30 10 IKEE C=CCn1c(S[C@@H](C)c2nnc(C3CCC3)o2)nnc1C12CC3CC(CC(C3)C1)C2 253574862 TYDRVWTZZLETRB-NSDYXAQKSA-N 425.602 5.436 30 10 IKEE CSc1nnc(-c2ccco2)n1N=Cc1ccc(COc2ccc(Cl)cc2Cl)o1 254402050 DRIVNZNFPPZHPG-UHFFFAOYSA-N 449.319 5.621 30 10 IKEE CC[C@@H]1CN(C(=O)C(c2ccccc2)c2ccccc2)C(=Nc2cccc(OC)c2)S1 254838233 AIBDGDCKNZTOLP-HSZRJFAPSA-N 430.573 5.869 30 10 IKEE CC(=O)[C@]12O[C@](C)(c3ccccc3)O[C@@H]1C[C@@H]1[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 263592571 AHBKIEXBQNRDNL-CUKQNYBLSA-N 448.603 5.744 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(/C=C/C(=O)Cc2cc(Br)ccc2F)cc1 405929991 LRQWXKZDAXZHCA-UXBLZVDNSA-N 434.305 5.760 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Br)c1)NCCC 406782916 CCMPFPMWLWNYCL-OALUTQOASA-N 425.411 5.219 30 10 IKEE CC(C)COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccs2)c1 526514371 ATTONGVLWPHXMB-QHCPKHFHSA-N 430.529 5.712 30 10 IKEE COc1cccc([C@@H]2C(c3cccc4ccccc34)=C(O)C(=O)N2c2cccc(C#N)c2)c1 526519319 HCOVYNIBXCRDAH-AREMUKBSSA-N 432.479 5.777 30 10 IKEE CC(C)Oc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(F)ccc2F)c1 526711115 XTFITVDBHJDXGE-HSZRJFAPSA-N 449.453 5.535 30 10 IKEE Cc1cccc(CSc2nnc(C)n2/N=C\c2ccc(OC(=O)c3cccs3)cc2)c1 526808126 OFIWMSJEOYJRJQ-OYKKKHCWSA-N 448.573 5.350 30 10 IKEE CCCOc1ccc(/C=N\n2c(CC)nnc2SCc2cccc(Cl)c2)cc1OC 526811964 WIFWUGNREPMCAX-OYKKKHCWSA-N 444.988 5.466 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccccc2F)cc1 526829427 IJAZSCKRNHSAIO-MYYYXRDXSA-N 447.495 5.091 30 10 IKEE FC(F)(F)Sc1cc(I)c(C(F)(F)F)cc1C(F)(F)F 575380543 NYWVOWRMBOBKEZ-UHFFFAOYSA-N 440.068 5.941 30 10 IKEE CCOc1ccc2ccccc2c1C(=O)N1CCC(COCc2ccc(C#N)cc2)CC1 585222231 UADMUTHMXFUCMQ-UHFFFAOYSA-N 428.532 5.179 30 10 IKEE CC(C)(C)c1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2ccc(C#N)cc2)cc1 586142819 UUZCDIYDDSEQKG-UHFFFAOYSA-N 432.589 5.289 30 10 IKEE CCOc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2cccc(Cl)c2)cc1 586255571 RBWUNUNSZXLIFA-UHFFFAOYSA-N 426.925 5.006 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1cc2cscc2s1 693967602 AUSIEXRJSSRXFT-HNNXBMFYSA-N 449.395 6.732 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCCC12CCCCC2 698455041 BLABXBJDPRQTMT-JOCHJYFZSA-N 433.390 6.587 30 10 IKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(OC)c(OC)cc1Br 698463053 DIORRDCRKWERDL-IUODEOHRSA-N 427.339 5.067 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@H](C#N)c1cc(F)cc(Br)c1 698871423 VKSYARGBUSBNAV-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@@](C)(C#N)Cc1ccc(Br)cc1 698895675 UXPDWETWEBLWQQ-OAQYLSRUSA-N 433.321 5.855 30 10 IKEE O=C(/C=C\c1cc(Br)ccc1OC(F)F)c1ccc(C(F)(F)F)nc1O 731564946 VQFXVGBCRPAXLF-RJRFIUFISA-N 438.146 5.066 30 10 IKEE Cc1cc(Br)ccc1N=Cc1cc(C)n(-c2ccc(C(=O)O)c(Cl)c2)c1C 1084360362 LTZONNWDXGFRDW-UHFFFAOYSA-N 445.744 6.267 30 10 IKEE Cc1cccc(N=C2S/C(=C\c3ccc(Br)o3)C(=O)N2c2ccccc2)n1 1772736484 LCEWTVUQJUGHTC-NTCRLEKGSA-N 440.322 5.554 30 10 IKEE O=C1NC(=NN=Cc2ccccc2OCc2ccccc2)S[C@@H]1Cc1ccccc1Cl 1772742380 OTXSYCISUGYXLD-JOCHJYFZSA-N 449.963 5.083 30 10 IKEE N#Cc1c(-c2ccccc2)ccnc1N1CCC2(CC1)CC(=O)c1cc(Cl)ccc1O2 1859821475 LMPSXJIMASXMGY-UHFFFAOYSA-N 429.907 5.278 30 10 IKEE CCCOc1cccc(/C=C/C(=O)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 1860729292 CMDSDZVOUCPXAL-VOTSOKGWSA-N 445.359 5.734 30 10 IKEE CCCCCCCCNC(=O)[C@@H](NC(=O)Cc1ccc(OCCC)c(C)c1)[C@@H](C)CC 1860988761 WVEKBVHIKYFDKQ-CPJSRVTESA-N 432.649 5.334 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2)n1 1862331985 WPOPOVNUVICSMQ-UHFFFAOYSA-N 446.765 6.314 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccccc1)c1ccc(Cl)cc1Cl 1862380030 RCMKFFCPYUKXFI-IBGZPJMESA-N 444.339 5.833 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1c(Cl)cccc1Cl 1862415630 BUAMYKWXLDURAA-GOSISDBHSA-N 440.273 5.506 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CC(C)C)cc1 1862451138 XSGIBJLSTHUTJG-NRFANRHFSA-N 427.928 5.363 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CC(C)C)cc1 1862451139 XSGIBJLSTHUTJG-OAQYLSRUSA-N 427.928 5.363 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCCCC2)cc1O 1862480445 HFFCLUGKQWPJHV-QHCPKHFHSA-N 435.520 5.010 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc(Br)c1 1862488145 RQUKGVRYQQATIL-IFXJQAMLSA-N 428.326 5.134 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccc(O)cc2)c1 1862490278 RTPFIMMSKXLCEK-HSZRJFAPSA-N 447.918 5.441 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(C(F)(F)F)cc1 1862508757 PRKKKDRPKBBHJP-LJQANCHMSA-N 435.417 5.531 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 1862531345 LSEVHPZCWXMKCD-VWNXMTODSA-N 447.575 5.304 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(F)cc2F)cc1 1862534270 QAMCKOYWYJZSTJ-XMMPIXPASA-N 447.481 5.348 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(O)cc1 1862544576 GTZXJBPGBDQFAO-WQWSHVPRSA-N 445.559 5.428 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(CC)cc1 1862555148 AMNRHQYDNMGFCF-DEOSSOPVSA-N 434.580 5.770 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862597265 XSRLOMDJYXOJGL-VWLOTQADSA-N 441.527 5.603 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1cccc(OC)c1 1862615646 LLZRAKCJJAGMRP-HSZRJFAPSA-N 435.564 5.761 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862618492 DWLHACPMTLHQDP-JOCHJYFZSA-N 448.519 5.413 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccccc2Cl)cc1F 1862640173 FEVTWGVAUQWZTN-HXUWFJFHSA-N 431.891 5.112 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc2ccccc12 1862718580 ACNCBSHGOKCPKA-MHZLTWQESA-N 449.550 6.617 30 10 IKEE Cc1cc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccccc3Cl)C2=O)ccc1F 1863097248 YPENKUNOMYSAJB-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE CCCCOc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3cccs3)C2=O)cc1 1863116873 LJBJFELGMBQYCD-UHFFFAOYSA-N 443.528 5.195 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(N(CC)CC)cc1C 1866029954 QXDQBUDMCCWSON-UHFFFAOYSA-N 444.748 9.041 30 10 IKEE C[C@H](CC(=O)N[C@H](C(=O)Nc1cccc(C#N)c1)c1ccccc1)c1ccc(Cl)cc1 1866715019 PETJQLQLOJQYGL-OSPHWJPCSA-N 431.923 5.201 30 10 IKEE CCCC[C@H](NC(=O)C[C@@H](c1ccc(Cl)cc1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866764931 XJQFAURTBYCVMQ-PKTZIBPZSA-N 439.987 5.655 30 10 IKEE CC(C)c1nc(Nc2ccccc2C#N)cc(N2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)n1 1868238592 TZJMZCDNDXYKHD-HTAPYJJXSA-N 431.515 5.321 30 10 IKEE C=CCN(CC=C)c1cc(N(C)CC(C)(C)c2ccccc2)nc(Cc2ccccc2)n1 1869079041 FETUCXYNSVCLGL-UHFFFAOYSA-N 426.608 5.660 30 10 IKEE CC(C)COc1cccc(C(=O)Nc2c(C#N)nnn2-c2cc(C(C)C)cc(C(C)C)c2)c1 1870153825 IGFZXFJHKBNAJC-UHFFFAOYSA-N 445.567 5.673 30 10 IKEE CCCCCCCCn1cc(OCCCCCCC)c(=O)cc1CN1CCN(CC)CC1 1870413220 WDCVBVOQALGHRQ-UHFFFAOYSA-N 447.708 5.696 30 10 IKEE CCCCCCCOc1cn(CCN(CC)CC)c(CNc2cccc(F)c2)cc1=O 1870837567 MNMRKCURSQVZBR-UHFFFAOYSA-N 431.596 5.291 30 10 IKEE COc1cccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3ccccc3F)C4)C2=O)c1 1871352720 ZQFKLTYWYCIMDV-KSEXSDGBSA-N 431.463 5.111 30 10 IKEE CCc1ccc([C@@H](C)N2COc3c(cc4c(c3C)O/C(=C\c3cccc(F)c3)C4=O)C2)cc1 1871360174 SZXOETKYTMRLIX-BMLZXRGUSA-N 443.518 6.226 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)/C(Cl)=C/c4ccccc4)cc(C)c3C2=O)cc1 1871377483 NATXCOJRIJNMQA-FHVZNZBFSA-N 444.914 6.359 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2OC)C3=O)cc1 1871387023 DYRBGLKURZAMSC-UCQKPKSFSA-N 430.456 5.238 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2c(F)cccc2Cl)C3=O)c1 1871387460 WJAAHMCOSWRKFR-XKZIYDEJSA-N 438.838 5.713 30 10 IKEE CCCCCOc1ccc2c(c1)O/C(=C\c1cc(Br)cc3c1OCOC3)C2=O 1871399850 XNUKQMVOTWFPBC-JMIUGGIZSA-N 445.309 5.501 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc(OCCCOc4ccc(C)cc4)c3C)C2=O)cc1 1871405915 MGKIHSAFRNUCEL-ITYLOYPMSA-N 444.527 6.166 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1ccc2c(c1C)O/C(=C\c1sccc1C)C2=O 1871428925 ATKRQRDKZMAZLX-CBAAQYGVSA-N 442.577 6.262 30 10 IKEE COc1ccccc1/C=C1\Oc2c(ccc(OCC(=O)Nc3cccc(Cl)c3)c2C)C1=O 1871454060 ADNOJPQBMNXOBI-UUYOSTAYSA-N 449.890 5.291 30 10 IKEE C=CCN(CC=C)c1nc(=NCCCCCCCC)nc(Nc2ccc(Cl)cc2)[nH]1 1871523814 FZCUHYMTXIPPJK-UHFFFAOYSA-N 429.012 5.641 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cc(C)cc(C)c1)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1871982703 KGMYQNDLRSSMNV-XMMPIXPASA-N 442.625 5.150 30 10 IKEE C[C@@H](Oc1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872760060 GINVSELFVMEGCL-QVKFZJNVSA-N 436.964 5.986 30 10 IKEE CCOc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1 1872779861 SYNBGSQDVMHRJY-JOCHJYFZSA-N 448.588 6.068 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(C)cc3)n2)c(OCC)c1 1872783727 GNHWPHYSCRJSME-QYFOZDBKSA-N 432.545 5.806 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccccc3C)n2)cc1Cl 1872785195 HWQBXRXUKFZKMB-QGZVFWFLSA-N 440.952 5.816 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@H](C#N)C(=O)c2cc(Cl)ccc2Cl)n1 1872788977 VTAPKJPQIBEPGS-CQSZACIVSA-N 437.735 6.269 30 10 IKEE Cc1ccccc1CN1CC(=O)C(c2nc(-c3ccccc3)c(-c3ccccc3)s2)=C1N 1872796145 NNQJTCWMEPUJTA-UHFFFAOYSA-N 437.568 5.498 30 10 IKEE COc1ccc(NC(=O)c2cccc(CSc3nc(C)c(C)c(C)c3C#N)c2)c(OC)c1 1872893198 MDSBGGHPOIPLBQ-UHFFFAOYSA-N 447.560 5.440 30 10 IKEE C=CCN1C(=O)C(Nc2cc(C)ccc2OCC(C)C)=C(c2cccc3ccccc23)C1=O 1873183827 TXCNQJXDXQCNML-UHFFFAOYSA-N 440.543 5.561 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(OC(C)C)cc2)=C(c2cccc(Cl)c2Cl)C1=O 1873341884 UGOUXGJRJSKSIO-UHFFFAOYSA-N 431.319 5.159 30 10 IKEE C=CCn1c(C(=O)N(CC)CCCC)cc2c(N(CCCC)CCCCCC)ncnc21 1873562377 AJWRMWRCXMUUHU-UHFFFAOYSA-N 441.664 6.066 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc2c(NCCC)ncnc21 1873601252 QNTKEPLMAACFGK-UHFFFAOYSA-N 426.524 5.435 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)Nc1cccc(C)c1)n2CC 1873628963 CNZSJMKMWGTZHW-UHFFFAOYSA-N 435.616 6.565 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)cc2c(NCc3ccc(Cl)cc3)ncnc21 1873637583 IRWLTMXZVNYHRF-UHFFFAOYSA-N 445.954 5.752 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)cc2c(NCc3ccc(C)cc3)ncnc21 1873641658 FKWHNXJXCNCCOH-UHFFFAOYSA-N 425.536 5.407 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccccc1C 1874214302 FTQBMFOSQJZGEA-LFVJCYFKSA-N 428.989 5.636 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1ccccc1F 1874224724 ZFTNMNSMBBABJM-WGOQTCKBSA-N 438.572 5.542 30 10 IKEE CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccc(C(F)(F)F)cc1 1874244221 UOHVHIZBUWMLOZ-MZJWZYIUSA-N 448.558 6.050 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1ccc(C(C)C)cc1 1874250295 ZEQZZQUNAWSXJX-NLRVBDNBSA-N 434.609 5.882 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccco2)cc1 1874302777 PONKGBANQQOJBU-MFKUBSTISA-N 436.512 5.174 30 10 IKEE CCCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc(OCC)c(OC)c1 1874342822 KPRKMFWOVIIELO-BUVRLJJBSA-N 444.988 5.314 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2cccc(F)c2)cc1 1874349309 FRPBOCHWFAZLCK-WGOQTCKBSA-N 432.524 5.191 30 10 IKEE CCCSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874400738 YGQPJSBRFPYOCS-CYGNYLSHSA-N 429.933 5.376 30 10 IKEE Oc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2cccc(Cl)c2)cc1 1874408796 QHUHFXSMPAYMJW-MFKUBSTISA-N 441.000 5.934 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2-c2ccccc2)cc1 1874429403 IKEJCBRZKVJISS-WGOQTCKBSA-N 432.980 6.335 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CCCC2)c(F)c1 1874456138 CGQMLVDUIJBLQA-RWPZCVJISA-N 448.542 6.542 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2c(F)cccc2Cl)nnc1C1CCCC1 1874457777 HMDRQIUMIMBDCS-DHRITJCHSA-N 444.963 5.911 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2C(F)(F)F)cc1 1874458857 JGSZZSUCITXDKZ-DHRITJCHSA-N 434.487 5.569 30 10 IKEE FC(F)(F)c1nnc(SCCc2ccccc2)n1/N=C/c1c(Cl)cccc1Cl 1874461343 JBIIEYIRCHMWSI-BHGWPJFGSA-N 445.297 5.821 30 10 IKEE CCCc1nnc(SC)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 1874505513 LICRQCOIPPADBS-YDZHTSKRSA-N 430.961 5.076 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(S)nnc2CCCOc2ccccc2C)cc1 1874567436 XNSHHMXIPLZYKE-XIEYBQDHSA-N 438.597 5.338 30 10 IKEE O=C(/C=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1)c1cccc2ccccc12 1874582492 QJLCXQSZBHWFGV-FYWRMAATSA-N 433.334 7.622 30 10 IKEE CCCOc1ccc(Br)cc1/C=C/C(=O)c1cc(Cl)cc(Cl)c1OC 1874586341 JJOVHBAKNBXTAT-GQCTYLIASA-N 444.152 6.449 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)c(OC)c1 1874587986 OHLQUUDZLHPAFE-XYOKQWHBSA-N 443.326 6.486 30 10 IKEE COc1cc(C(=O)/C=C/c2cccc(OCc3ccccc3Cl)c2)c(OC)cc1Cl 1874598713 ANLIGMFGDDTAQE-ZHACJKMWSA-N 443.326 6.486 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)c(C)c1 1874716305 MISMUCWOSOAJBM-PKNBQFBNSA-N 429.472 5.944 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)Cc1ccc(F)c(C)c1 1875116060 JEDJOMYAZPIEKP-NYYWCZLTSA-N 449.434 5.095 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3F)cc2OC)cc1 1875121958 BSYFTLBXNFKCRK-UUILKARUSA-N 438.426 5.487 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)c1ccc(Cl)cc1 1875129018 GYTIIRVLCDDWLM-XNTDXEJSSA-N 432.903 6.192 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(N(C)C)cc3)c(Cl)c2)cc1 1875129818 VFUPLXFDDPEEAF-PJQLUOCWSA-N 449.934 5.920 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)c1cccs1 1875131340 SBPBXOPBQWSMPI-VQHVLOKHSA-N 426.921 6.142 30 10 IKEE C=CCn1c(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc2c(NCc3ccc(Cl)cc3)ncnc21 1875230690 KFEITTUWUQQGPL-IAGOWNOFSA-N 437.975 5.001 30 10 IKEE C=CCN1CC[C@@H](NCC)[C@@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875650109 FQANPBULRGYVCO-UHSQPCAPSA-N 442.603 5.756 30 10 IKEE C#C[C@H](C)[C@@H](NCCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875673395 VMJYOEMQDSJHJY-UNUDWIFVSA-N 443.587 5.516 30 10 IKEE C=C(c1ccccc1)[C@H](NC)c1cc(I)ccc1Br 1888687911 BHLVLVCIHCLERD-INIZCTEOSA-N 428.111 5.028 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCC)c2ccc(Cl)cc2Br)C1 1898223889 CSEBNLLLPAXWOO-QGZVFWFLSA-N 443.813 5.614 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@H](C#N)c1ccc(Cl)cc1I 1904070757 VKLFCCCQUOCFHX-OAHLLOKOSA-N 448.732 5.402 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2cc(C)cc(Br)c2F)c1 1927529564 YYYRMUOMNJPIQY-GOSISDBHSA-N 433.321 6.211 30 10 IKEE C[C@@H]1CN(Cc2ccccc2)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1949314810 SMAKVIKVUPTDPD-KBMIEXCESA-N 439.987 5.886 30 10 IKEE CN(CC[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl)C(=O)OC(C)(C)C 1980073360 CHVDSVSRTSBDOX-QFIPXVFZSA-N 437.968 5.621 30 10 IKEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1999942427 JFZUFRVDVWSNFO-QMHKHESXSA-N 449.979 5.621 30 10 IKEE C=C(COCc1ccccc1)[C@H](NC)[C@@H]1C[C@@H]2CCCC[C@@H]2N(C(=O)OC(C)(C)C)C1 2009421406 VFRPBPIACYIKOD-KIHHCIJBSA-N 428.617 5.163 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)C1(C)C 2013407809 OXYLPOUWKZEPPR-UZUQRXQVSA-N 449.979 5.667 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2046018754 KLQLDNPXNFYFJA-KWCZIXHQSA-N 445.535 5.153 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1C[C@H]2CC[C@H]1CN(C(=O)OC(C)(C)C)C2 2053004879 WECCNIGSQRRFOR-ZFFYZDHPSA-N 442.644 5.411 30 10 IKEE C[C@@H]1CC[C@](C#N)([C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1 2071353094 DKDYCMJMIFSSKS-MHWRTBLVSA-N 427.544 6.208 30 10 IKEE Cc1cc(C)c([C@H](n2nc(C(C)(C)C)c(C=NO)c2Br)C2(C)CC2)c(C)c1 2079845632 TZVRQNRYZOVXAT-IBGZPJMESA-N 432.406 6.066 30 10 IKEE CCCc1ccc([C@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C2(C)CC2)cc1 2079875962 BXRMJXQHWFQGJC-IBGZPJMESA-N 430.390 5.847 30 10 IKEE Cc1cc(Br)ccc1-c1cc(Cl)n2nc(C3CCCCC3)c(C#N)c2n1 2081159367 UDHYZXQNTXTEQN-UHFFFAOYSA-N 429.749 6.040 30 10 IKEE Cc1sc(C)c(C(=O)C=Cc2ccc(NC(=O)OC(C)(C)C)cc2)c1Br 2087635286 ZJYGYFJOCGLXDR-UHFFFAOYSA-N 436.371 6.371 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(Cc3ccccc3)CC2(C)C)cc1 2098717027 ZXGITAGUEIPQON-HHHXNRCGSA-N 449.595 5.631 30 10 IKEE CCOc1cc([C@@H](C#N)N(CC(C)C)C(=O)OC(C)(C)C)cc(Br)c1O 2131261092 OAJUSNHVSVIMOW-OAHLLOKOSA-N 427.339 5.011 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(C)c(Br)cc1C 2136365364 XSYFEMBGNJQGCN-RBUKOAKNSA-N 425.411 5.576 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2cc(O)ccc2Br)c1 2144511434 BQMBHUHTGHLKKJ-SFHVURJKSA-N 433.302 5.170 30 10 IKEE C=CCN(CC[C@@H](Cc1ccc(C)c(Br)c1)NCCC)C(=O)OC(C)(C)C 2155517091 QJNQKDIZFLELQQ-IBGZPJMESA-N 439.438 5.481 30 10 IKEE CC(C)(C)[C@H]1CC=C(C(=O)c2ccc(I)c(Br)c2)CC1 2181648504 UNIWPKCMGWMWAR-ZDUSSCGKSA-N 447.154 6.009 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 2220392741 NKYTZIISOHJNHF-OSWQYVSFSA-N 449.636 5.874 30 10 IKEE CCCCCCC[C@H](N)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229132549 UHPUJGJEZLLCDO-OALUTQOASA-N 427.427 5.573 30 10 IKEE C=C1CCC(C[C@H](O)[C@@H](Cc2cccc(Br)c2)NC(=O)OC(C)(C)C)CC1 2237384849 VYTAJYBKQZQNER-UXHICEINSA-N 438.406 5.382 30 10 IKEE CCCCC#CC[C@H](NCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248455431 FECKVGXWEHYXIS-QHCPKHFHSA-N 428.617 5.002 30 10 IKEE CC(C)[C@H]1CC=C(C(=O)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)CC1 2248511535 YYTZQDPPDHDWBD-NRFANRHFSA-N 427.585 5.392 30 10 IKEE C=CCCCCC[C@H](NCCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2256696995 RIUJOYIVSDWZKN-DEOSSOPVSA-N 444.660 5.945 30 10 IKEE N[C@@H](C#Cc1cccc(Br)c1)c1cc(Br)cc(Br)c1 2278738908 ARANHQHOMAZMOJ-HNNXBMFYSA-N 443.964 5.026 30 10 IKEE Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2296636705 QSRNKIXPKSZBPP-UHFFFAOYSA-N 426.877 5.032 30 10 IKEE COc1ccc(COc2ccc3c(c2)OC(=CC2=Cc4ccccc4O[C@H]2C)C3=O)cc1 2296844794 HXUSHXYODUVSHP-KRWDZBQOSA-N 426.468 5.598 30 10 IKEE CC(C)(C)[C@H]1CCc2c(sc(NC(=O)C=Cc3ccc(Br)cc3)c2C#N)C1 2296909389 IWAOPYIYVVRETN-HNNXBMFYSA-N 443.410 6.185 30 10 IKEE C=CCn1c2ccccc2n2nc(C)c(C(=O)C=Cc3cc(Cl)c(Cl)c(OC)c3)c12 2297338423 PRCJGTXFXJLODG-UHFFFAOYSA-N 440.330 5.995 30 10 IKEE Cc1ccc(N=C2SC(=Cc3cc(C)n(-c4cccc(C(=O)O)c4)c3C)C(=O)N2C)cc1 2313610408 XYLRHVASCIVPNR-UHFFFAOYSA-N 445.544 5.335 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1cccc2[nH]ccc12 2321823596 XQACCNQFERGCGK-UHFFFAOYSA-N 444.391 6.193 30 10 IKEE COc1ccc(OC)c(C=C2Oc3c4c(cc(C)c3C2=O)OCN(C2CCCCC2)C4)c1 2322016236 QOOSXEACGURARB-UHFFFAOYSA-N 435.520 5.113 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(ccc4c3CN(C3CCCCC3)CO4)C2=O)cc1 2322016402 XYOAKXIPRFPZGC-UHFFFAOYSA-N 432.564 5.634 30 10 IKEE CCN(CC)CCCN1COc2cc(C)c3c(c2C1)OC(=Cc1cccc(Cl)c1)C3=O 2322114913 XEVIIRNWTVBSRW-UHFFFAOYSA-N 440.971 5.148 30 10 IKEE C[C@@H]1CCCC[C@H]1N1COc2ccc3c(c2C1)OC(=Cc1ccc(Cl)c(Cl)c1)C3=O 2322145978 HXKQTUOSBTUCJS-JLTOFOAXSA-N 444.358 6.340 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)c1OCC(=O)OCC(C)C 2322585759 RYIUMHNMHJMBDL-UHFFFAOYSA-N 437.319 5.476 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2cc(C)ccc2C)cc1 2322611793 QPLZPSODGZDGBY-UHFFFAOYSA-N 434.963 7.221 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)c4c(OC)cccc4OC)cc(C)c3C2=O)cc1 2322762933 ZQGNVKVDYCYQAA-UHFFFAOYSA-N 444.483 5.410 30 10 IKEE COc1cccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)c1OCc1ccccc1Cl 2322844875 BTOFQXHANKCYAZ-UHFFFAOYSA-N 434.963 7.057 30 10 IKEE CCCNC(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccc(OC)c(Cl)c1 2322975060 HNGKNVNIPXJKQA-UHFFFAOYSA-N 437.923 5.303 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3cc(C)ccc3C)c2)c(OC)c1 2323283607 PSVGKWZLLBOCOE-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE Cc1c(OC(=O)Cc2ccccc2[N+](=O)[O-])ccc2c1OC(=Cc1ccc(Cl)cc1)C2=O 2323395822 NJGLZYCQVDNPBC-UHFFFAOYSA-N 449.846 5.321 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1ccc2c(c1)CCCC2 2323419542 RUHXGAJVCADDMQ-UHFFFAOYSA-N 437.366 7.347 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OCC(=O)NCc1ccccc1 2323896085 LEDCKTIEOSCJDG-UHFFFAOYSA-N 449.934 5.248 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc3ccccc23)cc(Cl)c1OCc1ccccc1 2324140550 IYUDYIGFMHGCDS-UHFFFAOYSA-N 442.942 7.367 30 10 IKEE Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccco2)C3=O)c(C)c1 2324331854 PQGLERNNWUYRLV-GOSISDBHSA-N 431.488 5.535 30 10 IKEE CC(C)c1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 2324394975 CQAWZDXPOVALSX-IBGZPJMESA-N 441.383 7.130 30 10 IKEE Cc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccccc1Cl)C2=O 2324407441 WJQIUTYKHIUXSB-QGZVFWFLSA-N 447.918 5.979 30 10 IKEE CCOc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(F)cc3F)cs2)cc1OC 2324470935 BVVZZKFWNARUTL-QGZVFWFLSA-N 440.471 5.385 30 10 IKEE Cc1ccc(OCCCCOc2ccc3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)cc1 2324585227 ZZPZQTHVAJFZTC-UHFFFAOYSA-N 445.471 5.757 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2ccc(OCc3cccc(C)c3)cc2)cc1Cl 2324589013 RUJGCHDJVWCJOD-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE CC(C)(C)c1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 2324605968 DNGKPCXHWHAJKY-FQEVSTJZSA-N 444.556 5.768 30 10 IKEE Cc1cc(OCC(=O)N[C@H](C)c2ccccc2)cc2c1C(=O)C(=Cc1cccc(Cl)c1)O2 2325019750 KLEUDAPDJJJXQS-QGZVFWFLSA-N 447.918 5.521 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2C)C3=O)c(Cl)c1 2325299277 RXBLHBLRKIOART-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE COc1cccc(C(=O)C=Cc2cccc(OC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)c2)c1 2325707946 IWHJKRCDISVPSD-PKTZIBPZSA-N 432.903 5.954 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccccc2Cl)c1)c1cccc(Br)c1 2325720582 SZGJHURGAYBXLS-UHFFFAOYSA-N 441.708 6.218 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2ccccc2)cc1OC(=O)CCCSC 2325732393 NOIHOQUJPWIMCG-UHFFFAOYSA-N 449.366 5.402 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(Br)cc3)c2)c(C)c1 2325736059 CNBGMQNCNXJQRI-UHFFFAOYSA-N 449.344 6.110 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3cc(C)ccc3C)c2)cc1OC 2325740353 KTMXHTWCHOXQFG-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(F)c(F)c3F)c2)cc1 2325746412 KXNICQVCOIKZJF-UHFFFAOYSA-N 438.445 6.517 30 10 IKEE CC(C)COc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)OCO4)c2)cc1 2325747505 UHURZRYFUGZPOC-UHFFFAOYSA-N 444.483 5.565 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3ccc(C)c(C)c3)c2)c(C)c1C 2325755552 KKAITWBRGGZTND-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE CCc1ccc(CCC(=O)Oc2cccc(C=CC(=O)c3cc(Cl)ccc3OC)c2)cc1 2325783175 VIYWHNSFRJQVJU-UHFFFAOYSA-N 448.946 6.345 30 10 IKEE CCOc1cccc(C=Nn2c(C)nnc2SCc2ccc(C(C)(C)C)cc2)c1OC 2326322663 ISVQFGLEMBATSF-UHFFFAOYSA-N 438.597 5.466 30 10 IKEE C(=Nn1c(Cc2cccc3ccccc23)nnc1SCCc1ccccc1)c1ccccc1 2327754292 DAIYTUVVVINIEO-UHFFFAOYSA-N 448.595 6.239 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2Cl)n1N=Cc1c(F)cccc1Cl 2327956762 UHFNZTPDQWYWJW-UHFFFAOYSA-N 449.382 6.060 30 10 IKEE CCCSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccccc1[N+](=O)[O-] 2327976806 PJBLXFOEFJWOKK-UHFFFAOYSA-N 429.933 5.009 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3F)n2N=Cc2ccncc2)cc1C 2328946095 XTLNOSCGWLALST-UHFFFAOYSA-N 445.567 5.389 30 10 IKEE Cc1ccc(C)c(CSc2nnc(COc3ccccc3)n2N=Cc2cccc(F)c2)c1 2329919046 UHPQRJYXXRNEBX-UHFFFAOYSA-N 446.551 5.788 30 10 IKEE CN(C)c1ccc(C=Nn2c(SCc3ccccc3F)nnc2-c2cccs2)cc1 2330583528 FBVQCCNXYMBUNV-UHFFFAOYSA-N 437.569 5.386 30 10 IKEE Clc1ccc(CSc2nnc(-c3cccs3)n2N=Cc2ccccc2Cl)cc1 2330600504 SSWMKUVZWWTVAY-UHFFFAOYSA-N 445.400 6.488 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cncc(C)c3)c([N+](=O)[O-])c2)cc1 2330835010 DTOCWWNWWYAOOX-UHFFFAOYSA-N 444.487 5.756 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@@H]3CCCO3)n2N=Cc2ccc(Cl)cc2)c1 2330965656 MRRUIWSAAZWBCD-FQEVSTJZSA-N 426.973 5.574 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccccc2OC)cc1[N+](=O)[O-] 2331069154 CUSPOTIHMNYILB-UHFFFAOYSA-N 439.508 6.156 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OC(=O)Cc1ccc(F)cc1F 2331135992 OLRCVEZROKVBCA-UHFFFAOYSA-N 442.845 5.671 30 10 IKEE O=[N+]([O-])c1cccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C(F)(F)F)c1 2331154841 QENVIJYOKNTTDA-UHFFFAOYSA-N 441.822 5.033 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 2331281894 DZKCNWTYSIZNJV-UHFFFAOYSA-N 442.555 6.807 30 10 IKEE COCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(C(C)(C)C)cc1 2331305176 YZVYWJUPEOAYCK-UHFFFAOYSA-N 443.016 5.592 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Br)c1OC(=O)CC 2331346057 VIAHTRUEBJAXEZ-UHFFFAOYSA-N 435.289 5.507 30 10 IKEE COc1ccc(C=Nn2c(CC(C)C)nnc2SCc2cccc3ccccc23)cc1 2331464005 OKUFIYVDLUGVQJ-UHFFFAOYSA-N 430.577 5.813 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(C3CCC3)n2N=Cc2c(F)cccc2Cl)cc1 2331503084 QJTZLOHPYSAVJJ-UHFFFAOYSA-N 445.907 5.421 30 10 IKEE CCc1ccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CCC2)cc1 2331541891 MWHUCRZSIUOQMK-UHFFFAOYSA-N 445.419 6.589 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1ccc(F)c(F)c1 2331557041 PJHOFLPFFJMJEE-UHFFFAOYSA-N 443.789 5.642 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)c1cccc(C)c1 2331571077 JRAYIIBFNRKDLQ-UHFFFAOYSA-N 448.465 6.126 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)c1ccccc1 2331864137 KFHBBAZRLRLZIJ-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2OC)ccc1OC(=O)c1ccco1 2331877166 QFKLVYWPFBSJGB-UHFFFAOYSA-N 426.852 5.456 30 10 IKEE CN[C@H](C#CC1(SC)CCC1)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2336251248 RGCOURDMYFCTPW-MRXNPFEDSA-N 439.419 5.346 30 10 IKEE CC(C)N[C@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)C1CC2(CC2)C1 2344929728 JUHZSVICENEHFL-GDLZYMKVSA-N 444.667 5.071 30 10 IKEE CC1(C)OB(c2ccc(Nc3ccc(Cl)cc3Br)c(C#N)c2)OC1(C)C 2364742164 WKZUFVKICRLJMM-UHFFFAOYSA-N 433.542 5.017 30 10 IKEE CC1(C)OB(C=Cc2ccc(N[C@H]3CN(Cc4ccccc4)C4(CCC4)C3)nc2)OC1(C)C 2365048797 OUITVYHTIQYLPD-HSZRJFAPSA-N 445.416 5.335 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@H](C#N)c1cc(F)c(Cl)cc1Cl 2377363329 QLSOYEJZDCOCLK-QGZVFWFLSA-N 429.706 6.792 30 10 IKEE Cc1ccc(/C=N\c2ccc(-c3cc(-c4ccccc4)nc4ccc5ccccc5c34)cc2)cc1 4558656 QQZZLFOPUQFOQK-VQNDASPWSA-N 448.569 8.781 30 10 IKEE C[C@@H](OC(=O)c1cc(=O)c2ccccc2o1)/C(O)=N/c1cc(C(F)(F)F)ccc1Cl 9664444 WVEJVDMIKKIIBA-SNVBAGLBSA-N 439.773 5.299 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc3c(c2)O[C@@H](C)C(=O)N3CC(C)C)c1 12236439 DFICPGHRKZJEMO-SFHVURJKSA-N 435.568 5.546 30 10 IKEE O=C1/C(=C\c2ccc(Br)o2)S/C(=N\c2ccccc2)N1c1ccccc1 13470868 RPATUCQHNBLEPW-CWOOXZEWSA-N 425.307 5.851 30 10 IKEE CCOc1cc(/C=C2\C(=O)ON=C2c2ccccc2)ccc1OC(=O)c1ccccc1Cl 17086235 UZWZLUFZZFXZOG-RGEXLXHISA-N 447.874 5.302 30 10 IKEE CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(O)cc2)cc1 21218202 CFKNVKPYMSORFT-NGOKVRLYSA-N 438.571 6.669 30 10 IKEE COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2Cl)c1 21225528 HQPKDKDYCKZSFB-QLXKLKPCSA-N 430.935 6.328 30 10 IKEE C=CCn1c(S[C@H](C)c2nc(C(C)C)no2)nc2sc3c(c2c1=O)CC[C@H](C)C3 27764980 SCPWHRLPRDEFRV-QWHCGFSZSA-N 430.599 5.129 30 10 IKEE COc1ccc(OC)c(/C=C\C(=O)c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 34955186 VFIWSCFGMFLOAX-YBEGLDIGSA-N 444.527 6.117 30 10 IKEE C=CCc1ccc(OCCCCn2c(-c3cccc(OC)c3)nc3ccccc32)c(OC)c1 40250193 KGKAKTMFFZDYAX-UHFFFAOYSA-N 442.559 6.308 30 10 IKEE C=CCc1ccc(OCCCn2c(CNC(=O)C(CC)CC)nc3ccccc32)c(OC)c1 40275145 FNCATZGQSCHQTJ-UHFFFAOYSA-N 449.595 5.295 30 10 IKEE COc1cccc2cc(C(=O)Oc3ccc4c(c3C)O/C(=C\c3sccc3C)C4=O)oc12 41353975 SZEPXNXHNQYVOG-UNOMPAQXSA-N 446.480 5.955 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)CSc2n[nH]c(N/N=C(/C)c3ccc(F)cc3)n2)cc1 59021672 APMCCRQVBMBDOZ-PSPOIUNZSA-N 440.548 5.024 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1ccc(N(CC)CC)cc1 100443286 LFUQHRZXQZUVLO-UHFFFAOYSA-N 433.706 7.047 30 10 IKEE O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)S/C(=N/c2ccncc2Cl)N1c1ccccc1 101127713 QGTYZQSWVWICPN-FAXOLUSMSA-N 436.880 5.452 30 10 IKEE CCCCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 101139870 DYHRDJPCRVHCBG-UHFFFAOYSA-N 426.651 6.779 30 10 IKEE CCCCCCCCCCn1c([C@@H](C)NC(=O)c2ccc(OC)cc2)nc2ccccc21 102222171 KXNLUNGCWMYSAZ-OAQYLSRUSA-N 435.612 6.677 30 10 IKEE COc1ccccc1[C@H]1/C(=C(/O)c2ccccc2)C(=O)C(=O)N1c1ccc(C)c(Cl)c1 102589446 JAXAOKXPROZBAT-VFJWVMJUSA-N 433.891 5.283 30 10 IKEE C=CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)[C@@H](C)CC 169678634 VFRIOPBPRQZDCK-XUZZJYLKSA-N 449.595 5.137 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(N3CCC(C)CC3)nc2)c(C)c2cc(C(C)C)ccc21 169874173 BOLBXTVVWUZUCR-UHFFFAOYSA-N 430.596 6.143 30 10 IKEE CCOc1cc(/C=N/Nc2ccc(C)cc2)ccc1OCc1ccc(Br)cc1 169877569 FIVQEGQNPOUWTK-MFKUBSTISA-N 439.353 6.181 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccc(OC)cc2)cc1 169923330 UPISOPLUDJGAJK-QHCPKHFHSA-N 447.918 5.694 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccc(N(C)C)cc2)cc1 169952891 CMGNWRJAXJZVHF-VWLOTQADSA-N 440.543 5.406 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccccc2)c1 170036311 BPMWRQCQTJFQCC-XMMPIXPASA-N 427.500 5.485 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2ccc(C)cc2)=C(N(C)Cc2ccccc2)C1=O 170076969 JMOFKDHBDFOENO-UHFFFAOYSA-N 446.635 6.348 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2C)c1 170086291 NWGWCRGNUBCRCP-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@@H]1c1ccco1)c1ccc(Cl)cc1 170092567 HNDQRBGMPGJLMM-GOSISDBHSA-N 432.234 5.508 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(OC)c(OC)c1 170126431 ROAKATCJMKDHDE-DEOSSOPVSA-N 445.515 5.235 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccc(O)cc2)cc1Cl 170133427 HJPBWFVPQFWAKB-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2cccc(OC(C)C)c2)cc1 170153541 ARULRIPBWJQLKV-HSZRJFAPSA-N 437.536 5.251 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccs2)c1 170161014 GKBQXGKIQAEPQW-JOCHJYFZSA-N 444.512 5.190 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1cccnc1)c1cccc(Cl)c1 170188890 QKOHJPHREKZTII-IBGZPJMESA-N 425.271 5.171 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccnc2)ccc1OC(C)C 170191267 OPAPRTQMEAIKRI-XMMPIXPASA-N 442.515 5.269 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1cccc2ccccc12 170221198 XOUWEROXSUUSDX-VWLOTQADSA-N 443.543 5.924 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccccc2)cc1OC 170226799 BRYPINSHNATHNZ-QFIPXVFZSA-N 449.890 5.140 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 170226846 XBQZBBQXTWADRO-FQEVSTJZSA-N 434.835 5.031 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@@H]1c1ccc(F)cc1 170243141 FRYUGTMCALPUFZ-IBGZPJMESA-N 446.316 5.275 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@H]1c1ccc(C(C)C)cc1 170246043 QHOYXGINDUHKAZ-HSZRJFAPSA-N 439.527 5.726 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)cc(C)c3OC)[C@H]2c2ccco2)cc1 170285236 MXMHDSGQMFBATB-JOCHJYFZSA-N 447.487 5.087 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccco2)cc1C(C)C 170289370 KFAORPMVZNXYMD-XMMPIXPASA-N 445.515 5.811 30 10 IKEE COc1cc(Cl)cc2cc(C(=O)C3=C(O)C(=O)N(C4CCCC4)[C@H]3c3ccco3)oc12 170295910 NUQHOGCLRGBLIH-IBGZPJMESA-N 441.867 5.209 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccc(C)o2)c(C)c1 170303022 LMTNEVMGUNLPSS-NRFANRHFSA-N 437.879 5.341 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1C1CCCCC1 170317522 XXAWHVOTNKBKQQ-QFIPXVFZSA-N 431.557 6.121 30 10 IKEE CCCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)SC1=Nc1ccc(OCC)cc1 252615175 JQFLEOSSGQGCKX-IRZHRRCCSA-N 426.538 5.117 30 10 IKEE COc1ccc(C=NOC(=O)Cc2ccc(Cl)cc2)cc1COc1ccc(F)cc1 252630887 VFOVBPHKDBAUBH-UHFFFAOYSA-N 427.859 5.187 30 10 IKEE Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C=NN=C(c1ccccc1)c1ccccc1 254296938 XOVSIZYNINAREA-UHFFFAOYSA-N 433.342 6.359 30 10 IKEE COc1ccc(C=NNc2nc(-c3ccc(OC(C)C)cc3)nc3ccccc23)cc1OC 254398262 AJVXZQZIZXKFAP-UHFFFAOYSA-N 442.519 5.547 30 10 IKEE Oc1ccccc1/C=N\[C@@H]1c2ccccc2O[C@]2(/N=C\c3ccccc3O)CCCC[C@H]12 254740332 PPJFANUQDXSZTQ-XTFJQWKOSA-N 426.516 5.656 30 10 IKEE CCCCCCCCCCCCCCCCCCSc1nnc(N=CN(C)C)s1 254814953 UOIOYMOADILWCN-UHFFFAOYSA-N 440.767 8.113 30 10 IKEE CCCC(C#N)(CCC)C(=O)Nc1ccc(I)cc1Br 312761431 MAPWYRXSOBVMNK-UHFFFAOYSA-N 449.130 5.102 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(F)ccc(F)c1Br 407067466 CTMLGFAISSOGIO-WMLDXEAASA-N 433.337 5.237 30 10 IKEE CC(C)COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccs2)c1 526488926 SDAZBYPMMWHGLT-HSZRJFAPSA-N 430.529 5.712 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(C)cc2)c1 526603701 BNPFRELCFDHUPN-AREMUKBSSA-N 438.527 6.103 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(C)cc2)cc1OC 526604057 FTKOOZWBNBJCDP-RUZDIDTESA-N 440.499 5.331 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(Sc3ccccc3)C2=O)cc1C 526657073 HRSMTLROWFKGMA-UHFFFAOYSA-N 425.513 5.164 30 10 IKEE O=[N+]([O-])c1ccccc1/C=N\n1c(Cc2ccccc2)nnc1SCc1ccc(F)cc1 526802207 CALLJXIXLHCZNO-MYYYXRDXSA-N 447.495 5.091 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2cccc(Cl)c2)cc1 526804935 AQEXPHFBBGRMHJ-PKAZHMFMSA-N 447.007 6.200 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2cccnc2)c(C)c1 526812165 GWSZANOGUJYBGF-PKAZHMFMSA-N 427.577 5.250 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1ccc(N(C)C)cc1 526823907 ABGNJRONUFNWNL-CFRMEGHHSA-N 448.423 5.778 30 10 IKEE COc1nsc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)c1Br 690150871 KBOCDWFIVIEQNV-GFCCVEGCSA-N 442.310 5.060 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@H](C#N)c1cccc(I)c1 698421453 ZXLWXSBTBNEGQZ-QGZVFWFLSA-N 440.325 5.426 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@](C)(C#N)C1CCN(C(=O)OC(C)(C)C)CC1 698483217 IRSACRZTONKQET-VWLOTQADSA-N 443.588 5.666 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@H](C#N)c1c(F)cccc1Br 698869140 RQKCLTNAEUNGDR-KRWDZBQOSA-N 425.342 6.113 30 10 IKEE CN(Cc1ccccc1)C1(CNc2ccc(C#N)c(Br)c2F)CCCCC1 714236647 PXIKNRFDNKQHAE-UHFFFAOYSA-N 430.365 5.707 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@@H](C#N)c1cccc(Cl)c1Br 719682582 CYHJGILXIYSVQC-INIZCTEOSA-N 439.712 6.248 30 10 IKEE Clc1cccc(C=Nc2ccc(Oc3ccc(N=Cc4cccc(Cl)c4)cc3)cc2)c1 1084188397 RETYHWSYHKBUCV-UHFFFAOYSA-N 445.349 8.287 30 10 IKEE C[C@@H]1CCCC[C@H]1N/C(=N/CCCn1ccnc1)Nc1cc(-c2ccccc2)ccc1O 1088709918 GFXOOLBOZVVHRB-NFBKMPQASA-N 431.584 5.282 30 10 IKEE Cc1ccccc1CN(Cc1ccc(C#N)cc1OC(F)F)c1ccc2nc(O)[nH]c2c1 1559614906 HXNLURNULUIIAJ-UHFFFAOYSA-N 434.446 5.257 30 10 IKEE Clc1cc(Cl)c(OCC#CCOc2cc(Cl)c(Cl)cc2Cl)cc1Cl 1614663664 SYRQOYIWDKJKKF-UHFFFAOYSA-N 444.956 7.068 30 10 IKEE Cc1ccc(C[C@H]2SC(=Nc3ccc(C(=O)O)cc3)N(Cc3ccccc3)C2=O)cc1C 1772728019 FQIFODKPHJDACF-HSZRJFAPSA-N 444.556 5.376 30 10 IKEE O=C(ON1C(=O)c2ccccc2C1=O)c1ccccc1Oc1ccc(Cl)cc1Cl 1772793086 SZDADMORQIXBPB-UHFFFAOYSA-N 428.227 5.154 30 10 IKEE N#CCc1cc(-c2cccc(OC(F)(F)F)c2)ncc1-c1cccc(OC(F)(F)F)c1 1848361915 QULBOYLFPOQXTD-UHFFFAOYSA-N 438.327 6.279 30 10 IKEE Cc1ccc(-n2cc(/C=N\NC(=S)Nc3cccc(C)c3)c(-c3ccccc3)n2)cc1 1857812179 XPOAXALHQDTAKN-QQXSKIMKSA-N 425.561 5.477 30 10 IKEE CCOc1ccc(/C=C/C(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1OCC 1860728774 LBMPHBAOHZXRJY-FNORWQNLSA-N 442.726 5.665 30 10 IKEE CSc1ccc(Cl)cc1CC(=O)NCc1ccc(C(=O)Nc2ccccc2C#N)cc1 1860865627 SDZFSLZMLBGGNX-UHFFFAOYSA-N 449.963 5.045 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@H]1c1ccc(OCCC)cc1 1862396548 FYNICGOAQLZQQR-XMMPIXPASA-N 433.548 5.582 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1cccc2ccccc12 1862420246 GTJOMDCQRQNLBB-HSZRJFAPSA-N 435.470 5.742 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C)cc1 1862475434 LMVGGWCORKSXHS-DEOSSOPVSA-N 427.500 5.091 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccccc2C)c1 1862489927 KIWVNLRAIWULKX-XMMPIXPASA-N 429.491 5.529 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cc(Cl)c(O)c(OC)c1 1862497406 JNWUYCOZLVTLJU-VLIAUNLRSA-N 443.927 5.048 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2ccc(N(CC)CC)cc2)cc1 1862538349 LJBNMHNYNJPMKQ-UUOWRZLLSA-N 434.580 5.472 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc2cc[nH]c2c1 1862546544 ZTDXWZSXODLMOW-RUZDIDTESA-N 442.559 5.671 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(CC)cc1 1862548058 JKIYQFXCNZGKHW-AREMUKBSSA-N 445.603 6.286 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCCCO)[C@H]1c1ccc(Cl)cc1)c1cccc2ccccc12 1862652143 FBNDMMVNFJXZOL-QHCPKHFHSA-N 449.934 5.234 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(Cl)cc3)[C@H]2c2ccccc2)c1 1862698996 PRPLQHLQALZVML-QHCPKHFHSA-N 447.918 5.170 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1cccc(F)c1)c1ccc2ccccc2c1 1862714305 AIMZZPSFNXCVFX-DEOSSOPVSA-N 438.458 5.152 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C(F)(F)F)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862897190 AVCGZWMZUUOVLZ-UHFFFAOYSA-N 447.416 5.282 30 10 IKEE Cc1cc(C2=C(Nc3cccc(C#N)c3)C(=O)N(C3CCCCCCC3)C2=O)ccc1F 1863463150 YVGYOVRSQDZEAW-UHFFFAOYSA-N 431.511 5.311 30 10 IKEE C[C@H](CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(C#N)cc1)c1ccc(Cl)cc1 1866717273 WAVCVKGDZGBDRJ-HOYKHHGWSA-N 445.950 5.071 30 10 IKEE CCCC[C@H](NC(=O)C[C@@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866773458 AYBVPCWDYZLOLM-RPWUZVMVSA-N 449.595 5.319 30 10 IKEE CCCC[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](C#N)c1ccc(C)cc1 1867351847 ACOGNYVCCVVIKA-FTJBHMTQSA-N 439.559 5.332 30 10 IKEE O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(C(F)(F)F)n2ccccc12 1868181463 FATVNBDEJLUCLT-UHFFFAOYSA-N 441.253 5.643 30 10 IKEE Cc1ccc(-c2nc(Nc3ccc(C#N)cc3)cc(N3CCc4nc[nH]c4[C@@H]3C(C)C)n2)cc1 1868329396 BLTLFVGPCMRIMZ-SANMLTNESA-N 449.562 5.550 30 10 IKEE Cc1nc(Nc2ccccc2C#N)cc(N2CCc3ccccc3[C@H]2c2cccc(F)c2)n1 1868490460 JIKNVINAONZNGH-HHHXNRCGSA-N 435.506 5.692 30 10 IKEE C[C@@H]1COC[C@@H](C)N1c1cc(Nc2ccccc2C#N)nc(-c2ccc(C(C)(C)C)cc2)n1 1868550867 WPYVLBVXTCVRBH-RTBURBONSA-N 441.579 5.670 30 10 IKEE C=CCn1cc(OCC(=O)Nc2ccccc2CC)c(=O)cc1CSc1ccc(C)cc1 1870211518 GMLSYRAQPIAXOX-UHFFFAOYSA-N 448.588 5.215 30 10 IKEE CCCCCCCOc1cn(CCCOCCCC)c(CSc2ccccn2)cc1=O 1870252336 OEUUDXGOLPCKMC-UHFFFAOYSA-N 446.657 6.092 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1cccc([N+](=O)[O-])c1)C3=O)CN(CCC1=CCCCC1)CO2 1871354777 ALXGPFFRRRRLQQ-QRVIBDJDSA-N 446.503 5.562 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OC(=O)Cc3ccc(Cl)c(Cl)c3)ccc2C1=O 1871376695 DHGIFCVUVZETIN-UUYOSTAYSA-N 439.294 6.066 30 10 IKEE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(OC)c2)C3=O)cc1 1871376866 IJHJZEFVCCMMPM-XPGPHDSVSA-N 442.467 5.247 30 10 IKEE CCCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccs2)C3=O)cc1 1871378423 MJLWGZBCSZTJFW-YSWSIGQQSA-N 446.524 6.080 30 10 IKEE CCCOc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 1871387848 OSEDTIZOCYIHDT-UCQKPKSFSA-N 432.447 5.758 30 10 IKEE C=CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871389966 XCGRJCSBOYCMSM-IWIPYMOSSA-N 426.468 5.704 30 10 IKEE C[C@H]1CCCN(Cc2c(O)ccc3c2O/C(=C\c2ccc(Br)cc2)C3=O)C1 1871396546 MCXLAWNVTPQCLI-GNKPEBMXSA-N 428.326 5.003 30 10 IKEE CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871406089 HBXVBSYCSWADFO-DNPFKWNUSA-N 447.462 5.247 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(O[C@@H](C)C(=O)Nc4cccc(C)c4C)c3C)C2=O)c1 1871413076 AIUHOHBOOPFSLL-FXONECCMSA-N 441.527 5.942 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccco1)C2=O 1871413848 PPIBPPVEGCOSIE-SYZMQFJCSA-N 437.879 5.572 30 10 IKEE CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2cccs2)C3=O)c1 1871426721 WWNXCFBGQBNZGE-NXUSMQHESA-N 447.512 5.281 30 10 IKEE CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 1871432604 DSKNKYKZQFYJON-PGOXGVTESA-N 442.511 6.080 30 10 IKEE COc1ccccc1/C=C1\Oc2c(ccc(OCC(=O)Nc3cc(C)cc(C)c3)c2C)C1=O 1871454820 ZKPFJLYPEMIEMT-OYKKKHCWSA-N 443.499 5.254 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1871877023 XAFGYCHEIKMXJR-QFIPXVFZSA-N 449.016 5.331 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccccc1CC)S(=O)(=O)c1ccccc1 1872475970 XBAKMMFCWMTCQZ-HSZRJFAPSA-N 428.598 5.013 30 10 IKEE C=CCNC(=O)c1ccc2nc(-c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)[nH]c2c1 1872730041 HZDDZWFFJCRNAV-UHFFFAOYSA-N 447.922 5.387 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(Cl)cc3Cl)n2)cc1 1872763970 BRBNKFYRRXWOSF-HFTQHKIXSA-N 429.328 6.015 30 10 IKEE COc1ccc(C)cc1-c1csc([C@H](C#N)C(=O)CCCOc2ccc(Cl)cc2)n1 1872771478 VKLIVCIQQQDTOJ-LJQANCHMSA-N 440.952 5.816 30 10 IKEE CCCCCCCOc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccccc3)n2)cc1 1872777891 YWGINNYDLQKYTP-HSZRJFAPSA-N 448.588 6.415 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(Cl)ccc3Cl)n2)c(C)c1C 1872778289 IFBHCYYLLWHYJC-INIZCTEOSA-N 431.344 6.232 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@H](C#N)C(=O)c3ccc(OCC(C)C)cc3)n2)c1C 1872781451 UCIRRLJCJAFBGA-JOCHJYFZSA-N 432.589 6.569 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3Br)n2)cc1Cl 1872785733 UZNGLWDNKSKKFG-ZDUSSCGKSA-N 447.741 5.725 30 10 IKEE CCCCCCCCCCN1C[C@H](C(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)CC1=O 1873002465 XOSUSBFWRSMQAY-LJQANCHMSA-N 441.591 5.181 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cccc(Cl)c2)=C(c2ccccc2)C1=O 1873413240 SPEJNCUQMJJJTE-UHFFFAOYSA-N 438.999 6.673 30 10 IKEE Cc1ccccc1COc1ccc(/C=N/Nc2oc([C@@H]3C[C@H]3c3ccccc3)nc2C#N)cc1 1873470263 DMJQITRMLOZLON-SMKWBROGSA-N 448.526 6.151 30 10 IKEE C=CCn1c(C(=O)N(CCCC)CCCCCC)cc2c(N3CCC[C@@H](C)C3)ncnc21 1873560491 AURKBLIPJNPEAX-OAQYLSRUSA-N 439.648 5.676 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(OC)cc1 1874204039 GHPHRNIQCPCXDP-FSJBWODESA-N 449.363 5.333 30 10 IKEE CCOc1cccc(/C=N/n2c(COc3cc(C)c(Cl)c(C)c3)nnc2SCC)c1 1874217371 JKTHZLTXORTKJB-ZMOGYAJESA-N 444.988 5.520 30 10 IKEE CCCc1ccc(OCc2nnc(SCc3cccc(C)c3)n2/N=C/c2ccc[nH]2)cc1 1874257181 NSTLNFOTNJKOBK-JVWAILMASA-N 445.592 5.621 30 10 IKEE CCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1cn(C)c2ccccc12 1874270938 WNORYBZTONLJBU-WGOQTCKBSA-N 425.561 5.508 30 10 IKEE C=CCSc1nnc(COc2cccc(C)c2C)n1/N=C/c1ccc(C(C)(C)C)cc1 1874324980 RVWIOOPEIOWRKA-WGOQTCKBSA-N 434.609 5.932 30 10 IKEE CCCSc1nnc(CCc2ccccc2C)n1/N=C/c1ccc(N(CC)CC)cc1 1874362106 OJFLQQZXJDXDBG-LGUFXXKBSA-N 435.641 5.602 30 10 IKEE C=CCSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1ccc(OCCCCC)cc1 1874380807 LXHQSECCGDABQF-NLRVBDNBSA-N 438.572 5.737 30 10 IKEE Cc1cccc(CSc2nnc(-c3cccs3)n2/N=C/c2ccccc2OC(C)C)c1 1874421946 MQBJCNWQIWANKJ-MFKUBSTISA-N 448.617 6.277 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2[C@@H]2CCCO2)cc1 1874447657 IVECGXUMXVZCRU-LWROZRRASA-N 436.581 5.401 30 10 IKEE COCCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1ccc(Cl)cc1Cl 1874469787 WXIZGHDKYCJPBM-FSJBWODESA-N 435.380 5.257 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C2CC2)cc1 1874522841 NTSGJOVPRDBDHE-FOKLQQMPSA-N 433.364 5.645 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccccc2F)c(C)c1C 1874586380 KZEDMVUYKALTOZ-WYMLVPIESA-N 433.479 5.365 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCc2c(F)cccc2Cl)cc1Cl 1874590748 SLMQXMJTMPWJES-PKNBQFBNSA-N 431.290 6.616 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OCc3cccc(C)c3)c(Br)c2)c1 1874605001 CRKODCXYFBLMGA-PKNBQFBNSA-N 437.333 6.241 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCc3cc(C)ccc3C)c(Cl)c2)cc1 1874606355 JQYLPYHPHYIPDZ-RVDMUPIBSA-N 432.991 7.775 30 10 IKEE CCCOC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1OC 1874622396 WLCUMBNZRQAFGX-KPKJPENVSA-N 444.955 5.874 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OCCc1ccccc1 1874629127 NILLWZMHDMUTBZ-OUKQBFOZSA-N 444.571 6.455 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)Cc1ccc(C)c(C)c1 1874698036 ILPSKCHYNBFMDT-WUXMJOGZSA-N 445.471 5.264 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OC(=O)CCCOc2ccccc2)c1 1874704709 XZKFPKGXKWRPCX-CCEZHUSRSA-N 430.500 5.664 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1 1875080556 NGQQHGDFIZZLNW-FYJGNVAPSA-N 432.519 6.788 30 10 IKEE CC(C)(C)C(=O)Oc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1Br 1875088700 ZVIZTNYIJKKWHJ-VQHVLOKHSA-N 432.270 5.205 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)CCOc3ccccc3)c(Cl)c2)c1 1875103111 XEIRVFWIAXWGRQ-ZRDIBKRKSA-N 436.891 5.619 30 10 IKEE CCCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccccc2Cl)cc1OC 1875111396 ALPKKLVYJVKWLJ-MDZDMXLPSA-N 437.717 5.713 30 10 IKEE CCOc1ccc(CC(=O)Oc2c(OC)cc(/C=C/C(=O)c3ccccc3)cc2OC)cc1 1875127687 SKBNMMMDQIQCEB-NTCAYCPXSA-N 446.499 5.147 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc(C)cc(C)c3)c(OCC)c2)cc1 1875130688 NWBLPXCLNNSVRM-NTUHNPAUSA-N 444.527 6.216 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC(=O)c1ccco1 1875135388 NYFWYARRSXKJKW-VMPITWQZSA-N 447.270 5.719 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1cc(C)cc(C)c1 1875136452 PPUZVUYCBYOYET-JLHYYAGUSA-N 440.539 6.464 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3F)c([N+](=O)[O-])c2)cc1 1875155359 DTHBZYJQSWEIMR-NTUHNPAUSA-N 447.462 5.902 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OC(C)=O)cc3)cc2)c(C)c1C 1875168173 WAIRJLPOUAJOHT-VIZOYTHASA-N 444.483 5.353 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)c1cccc(C)c1 1875171546 BORQFXMUSMXAAL-PKNBQFBNSA-N 430.500 5.744 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCC)c2c(C)ccc(Br)c2F)C1 1892684595 OSURRKACGOVSQC-KRWDZBQOSA-N 427.358 5.161 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](O)c1cc(C)cc(Br)c1F 1927661560 LYBSPTANKCNIOQ-YADHBBJMSA-N 436.365 5.071 30 10 IKEE CN(C(=O)OC(C)(C)C)C1([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)CC1 1978444664 ZBWVVLZNRXXQEY-KRWDZBQOSA-N 435.952 5.373 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@]1(C)CCCN1C(=O)OC(C)(C)C 2020804076 MEDWOZRJMALTLH-NTKDMRAZSA-N 429.561 5.418 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Br)ccc1Cl)NC 2047974583 XDELHMHGGGHDPL-IRXDYDNUSA-N 431.802 5.093 30 10 IKEE Cc1c(Cl)cc(C[C@]2(C=O)CCCCN2C(=O)OC(C)(C)C)cc1Br 2048495374 AWCIRPUHLARJQY-IBGZPJMESA-N 430.770 5.312 30 10 IKEE Cc1ccc([C@@H](C2CCC2)n2nc(C3CCC3)c(C=NO)c2Br)c(F)c1F 2079904942 JNAHTSCDIQMCGA-LJQANCHMSA-N 438.316 5.697 30 10 IKEE Cc1ccc(F)c(-c2cc(Cl)n3nc(C(F)(F)F)c(C#N)c3n2)c1Br 2081163625 NGGHJVXPKFWDLY-UHFFFAOYSA-N 433.590 5.150 30 10 IKEE Nc1c2c(nc3c(-c4cccc(C(F)(F)F)c4F)c(C(F)(F)F)nn13)CCCCC2 2081508114 PHPUBJMZLATOIT-UHFFFAOYSA-N 432.343 5.424 30 10 IKEE C=CCCCCCC[C@H](NC)c1ccc(Br)cc1I 2142287201 BKPMXGTUTDCZHP-INIZCTEOSA-N 436.175 5.841 30 10 IKEE CC(C)(C)OC(=O)NCCCN(c1cccc(Br)c1)[C@H]1CCCC[C@H]1C#N 2174566034 SNCNJHBRXJAQEI-LPHOPBHVSA-N 436.394 5.253 30 10 IKEE Cc1cc(C#N)cc(NC(=O)c2ccc(Br)cc2NC(=O)OC(C)(C)C)c1 2181046718 MHDXASGJXMEAOT-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CCCC[C@@]2(C#N)N(C(=O)OC(C)(C)C)c2ccccc2)C1 2221551970 CMZRGAHDZUWXDD-VWLOTQADSA-N 441.572 5.502 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C=O)(Cc2c(Br)sc3ccccc23)C1 2224706230 KJCMSEIGEZZHBF-FQEVSTJZSA-N 438.387 5.423 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1sc(C)c(Br)c1C 2226026820 YHOSZNKVXMDZPB-NVXWUHKLSA-N 445.467 6.028 30 10 IKEE CCCCCCC[C@H](O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229099168 WTVOVHCXSAUMCF-MOPGFXCFSA-N 428.411 5.606 30 10 IKEE CCN[C@H](CC#CC1CCCC1)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2251480327 BMJUJZBWRFSPRN-HUVFLSCGSA-N 428.617 5.047 30 10 IKEE CCP1(=O)CCC(C#N)(N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)CC1 2268270996 XASXKFOFDAYOCY-UHFFFAOYSA-N 441.306 5.630 30 10 IKEE C=CC[C@H](C)[C@H](OCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2275715865 CWTPYJOMYLUESC-KMRXNPHXSA-N 446.543 6.199 30 10 IKEE O[C@H](CC(F)(F)C(F)(F)F)c1c(F)cc(Br)c(F)c1Br 2288332094 LUFOKXKEEICKDN-RXMQYKEDSA-N 433.943 5.111 30 10 IKEE C=CCCCCCC[C@@H](OCCN)c1scc(Br)c1Br 2292791353 QNNRWFHILKNCDA-CYBMUJFWSA-N 425.230 5.816 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@](C)(CC)CNC(=O)OC(C)(C)C 2296216423 KICLEOJIGQUUQY-KNQAVFIVSA-N 437.422 5.110 30 10 IKEE CC(C)(C)OC(=O)N[C@H](C[C@@H](O)C#Cc1ccc(Br)cc1)C1CCCCC1 2296292447 YLWIYPGJYRBPTK-VQTJNVASSA-N 436.390 5.025 30 10 IKEE CC(C)[C@H](CCNC(=O)OC(C)(C)C)CC[C@@H](N)C#Cc1ccc(Br)cc1 2296309637 YNHYMSGWUQZXPN-ICSRJNTNSA-N 437.422 5.095 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)C[C@@H](NC(=O)OC(C)(C)C)C(C)C 2296311599 YYIJFEZQHKHPHZ-WOJBJXKFSA-N 437.422 5.108 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)C(=C(O)c4cccs4)[C@@H]3c3ccco3)sc2c1 2296774277 FOQLOESFQAVPSU-SFHVURJKSA-N 436.514 5.140 30 10 IKEE COc1cc(C=C2Oc3cc(OCC=Cc4ccccc4)ccc3C2=O)cc(OC)c1OC 2296871469 ZTGBLCKWTGTTRV-UHFFFAOYSA-N 444.483 5.421 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@H](C#N)[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 2304178420 BJFBZIRKRHTPHK-QZTJIDSGSA-N 447.601 5.167 30 10 IKEE CC(=Cc1ccccc1)C(=O)Nc1cc(Cl)c([C@H](C#N)c2ccc(Cl)cc2)cc1C 2313676464 IITAYKOUJYEQQQ-JOCHJYFZSA-N 435.354 6.999 30 10 IKEE C=CCN1C(=O)C(=C(C)c2ccc(N)cc2)SC1=Nc1nc(-c2ccccc2)cs1 2314544083 SQUNTQLLUGWLLD-UHFFFAOYSA-N 432.574 5.572 30 10 IKEE CCCSc1nnc(C2CC2)n1N=Cc1ccccc1OCc1ccccc1Cl 2320867906 WSKJACXTZZEVER-UHFFFAOYSA-N 426.973 5.772 30 10 IKEE CCCCCCOc1ccc(C=Nn2cnnc2SCCc2ccccc2)cc1OC 2321290055 XYCJWGWXMLYLOK-UHFFFAOYSA-N 438.597 5.463 30 10 IKEE CCOc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCc2cccs2)C4)cc1 2322197128 WGDOVZXJYXTVAY-UHFFFAOYSA-N 447.556 5.466 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccco1)O3)CN([C@@H](C)C13CC4CC(CC(C4)C1)C3)CO2 2322263174 HTLKVSBSFSOTOI-BBXRDKHSSA-N 445.559 5.961 30 10 IKEE CC[C@H](C)N1COc2c(cc3c(c2C)OC(=Cc2ccc(Br)cc2)C3=O)C1 2322371177 OURIKTWOTQJJEX-ZDUSSCGKSA-N 428.326 5.324 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccccc2)c1OCC(=O)Nc1cccc(C)c1 2322545785 SBZUISBZGYRMFN-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(C(C)C)cc2)c1OCc1cc(C)ccc1C 2322736676 CCNUZGDMVZRVOA-UHFFFAOYSA-N 448.990 7.564 30 10 IKEE COc1cc(Br)cc(C=CC(=O)c2ccc(OC)c3ccccc23)c1OC 2323019130 MCQCJOHVUFRGDO-UHFFFAOYSA-N 427.294 5.524 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4C)cc(C)c3C2=O)cc1 2323260599 ABEWCQWQNAILSZ-UHFFFAOYSA-N 429.428 5.355 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC)c(OCc3ccccc3C)c2)c1 2323260740 YHLCBNGIJWHZCG-UHFFFAOYSA-N 446.543 6.276 30 10 IKEE CCOc1ccc(CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(CC)cc2)C3=O)cc1 2323374863 SIXNGQIZZQWGIX-UHFFFAOYSA-N 442.511 5.720 30 10 IKEE Cc1c(OC(=O)c2cc(Cl)ccc2Cl)ccc2c1OC(=Cc1cccc(F)c1)C2=O 2323582909 ZKXHJBGCUGCBMQ-UHFFFAOYSA-N 443.257 6.276 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1Cl)NCc1ccccc1 2323766585 UWWJWYIYHMUGHE-UHFFFAOYSA-N 440.326 5.585 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(CC)cc2)C3=O)c1 2323805522 PBTQKQGQLUDKGY-UHFFFAOYSA-N 428.484 5.792 30 10 IKEE CCCCCOc1ccc(C=NNc2nc(-c3ccc(OC)cc3)cs2)cc1OC 2323874068 ICFRJGIFKZQDIY-UHFFFAOYSA-N 425.554 5.842 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2F)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 2323887462 DBCXRHBARGDUFQ-UHFFFAOYSA-N 446.261 6.516 30 10 IKEE Cc1c(OC(=O)CCc2cccs2)ccc2c1OC(=Cc1c(F)cccc1Cl)C2=O 2323978957 QFFTVNAIVOXMJO-UHFFFAOYSA-N 442.895 6.003 30 10 IKEE Cc1cc(O)c(CN(Cc2ccccc2)C(C)C)c2c1C(=O)C(=Cc1cccc(Cl)c1)O2 2324014397 MTZFVJFWQYRZAV-UHFFFAOYSA-N 447.962 6.381 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OCc3cccc(C)c3)c([N+](=O)[O-])c2)c1 2324023547 RYSYXMUWTVAILI-UHFFFAOYSA-N 433.460 5.396 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(O)c2CN(C2CCCCC2)C2CCCCC2)C1=O 2324044826 ZZGAWRIBGKIZCJ-UHFFFAOYSA-N 445.603 6.784 30 10 IKEE O=C1C(=Cc2c(Cl)cccc2Cl)Oc2c1ccc(O)c2CN1CCCC[C@H]1CCO 2324140439 SQQPGKUXWMZGHK-AWEZNQCLSA-N 448.346 5.052 30 10 IKEE COc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccccc4C)cc(C)c3C2=O)cc1 2324412207 CEEZBPITXGUMTL-GOSISDBHSA-N 443.499 5.334 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OCC(=O)NC2CCCCC2)cc1 2324505070 ZGKMPNPJTYOUCB-UHFFFAOYSA-N 441.955 5.381 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc(OCCOc3ccccc3F)c2C)C1=O 2324857772 GTMWCIKQKDUXLZ-UHFFFAOYSA-N 434.463 5.607 30 10 IKEE CC(=O)c1cccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)c1 2325382805 AQMNDZMUWFBKNX-UHFFFAOYSA-N 447.874 5.176 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3)n2N=Cc2ccc(F)cc2)c1 2325489160 PQNZPDRSKZDIER-UHFFFAOYSA-N 430.552 5.799 30 10 IKEE Cc1ccccc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O 2325714099 JJTPIWWSELOEML-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OC(=O)c1ccc(F)c(F)c1 2325750393 FNHKFDLFWIYHIP-UHFFFAOYSA-N 436.454 6.212 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3c(OC)cccc3OC)c2)c(C)c1C 2325755568 RNFXBSBBLDSQBQ-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE CCCSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1ccc(C)cc1 2325913881 VTIURLPPBRMDBZ-UHFFFAOYSA-N 435.380 5.857 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccc(CC)cc1 2326017698 WAWYUHPCYNNBAA-UHFFFAOYSA-N 441.000 5.666 30 10 IKEE CC(C)COc1cccc(C=Nn2cnnc2SCc2c(Cl)cccc2Cl)c1 2326511606 PALFOMQBRGOJOG-UHFFFAOYSA-N 435.380 5.794 30 10 IKEE CC(C)Oc1ccc(C=Nn2cnnc2SCc2cccc3ccccc23)cc1Cl 2326632628 HDHVJZNNEHMXOV-UHFFFAOYSA-N 436.968 6.046 30 10 IKEE Cc1cccc(C=Nn2c(COCc3ccccc3)nnc2SCc2ccc(F)cc2)c1 2329313375 GEQQZHMGXRQYAR-UHFFFAOYSA-N 446.551 5.617 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3C)n2N=Cc2cccs2)c1 2329488600 NLUPFWKCMBFWNA-UHFFFAOYSA-N 446.645 6.225 30 10 IKEE CC(C)COC(=O)CSc1nnc(CC2CCCCC2)n1N=Cc1cccc(Cl)c1 2330288440 QWLVWBAVPIWXJB-UHFFFAOYSA-N 449.020 5.228 30 10 IKEE COc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccc(C)cc2)c(OC)c1 2330800691 XYRYIOCTFPDSMJ-UHFFFAOYSA-N 438.597 5.367 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(O)cc1O 2330849494 XMVNNTLRIOHNKR-UHFFFAOYSA-N 430.961 5.106 30 10 IKEE Fc1ccc(CSc2nnc([C@H]3CCCO3)n2N=Cc2c(F)cccc2Cl)cc1 2330910603 BDTXAGGVWXXBOQ-GOSISDBHSA-N 434.899 5.236 30 10 IKEE Cc1ccsc1C=Nn1c(SCC(=O)Nc2ccccc2F)nnc1C1CCCC1 2331021474 XUPWSBFEAQMDMD-UHFFFAOYSA-N 443.573 5.058 30 10 IKEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)[C@H](C)c1ccccc1 2331048535 WWAPJJIQLQJUES-QGZVFWFLSA-N 431.444 5.209 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])c1)c1ccccc1 2331170347 UWRQKLMQRIHLHC-UHFFFAOYSA-N 449.462 6.377 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(Br)cc3)cc2)cc1 2331259553 VQZZBARGHWFKFK-UHFFFAOYSA-N 435.317 5.802 30 10 IKEE CCCC(=O)Oc1c(Br)cc(C=CC(=O)c2cc(C)ccc2C)cc1OC 2331326327 WGPHRSAUEZSMOK-UHFFFAOYSA-N 431.326 5.676 30 10 IKEE Cc1ccccc1CCC(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1Cl 2331439710 DYRQJDKMAVHMHO-UHFFFAOYSA-N 448.902 5.811 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)cc(OC)c1OC(=O)c1ccncc1 2331471145 QSEWJEAJYAGMAI-UHFFFAOYSA-N 439.467 5.367 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)c1cccc(F)c1 2331510317 VAVJOPJUDBXZKR-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)[C@@H](C)c1ccccc1 2331632352 DTJUPVVZLRODAP-FQEVSTJZSA-N 444.527 5.926 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2ccc(OC(=O)C(C)(C)C)c([N+](=O)[O-])c2)cc1Cl 2331698479 DRKKACLCGMKKJR-UHFFFAOYSA-N 447.871 5.113 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3c(C)cc(C)cc3C)cc2)cc1 2331764329 DJOHVXKIBZUWCR-UHFFFAOYSA-N 442.555 6.581 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)[C@H]3CCCO3)c(Br)c2)c(C)c1 2331769019 ITWWTKDLQXFTHI-OAQYLSRUSA-N 443.337 5.355 30 10 IKEE CCCN[C@@H](C#C[C@H]1CC1(F)F)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2366696879 WOPGBRHRYCBRBP-GUYCJALGSA-N 443.332 5.495 30 10 IKEE CN(/N=C/c1cc(Cl)cc(Cl)c1O)c1nc(-c2ccccc2)cc(-c2ccccc2)n1 13304944 DHUCRUJHZBOSLF-JFLMPSFJSA-N 449.341 6.293 30 10 IKEE C=CCOc1cccc(NC(=O)c2ccc(OCCCCCC)c(Br)c2)c1 14783783 MRKUIPBHYARQOG-UHFFFAOYSA-N 432.358 6.225 30 10 IKEE Cc1ccc([C@@H]2C3=C(C[C@@H](c4cccc(Cl)c4)CC3=O)Nc3nc4ccccc4n32)cc1 19630824 SBVCMFPLLMZDNF-NIYFSFCBSA-N 439.946 6.414 30 10 IKEE CCc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc3ccccc3c2)cc1 21225406 CQHWTNFZTRDXJC-OOWIMERYSA-N 444.578 7.382 30 10 IKEE CC(C)Oc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2C(F)(F)F)cc1 21252864 WNZYHWOXGRSKDH-APWZRJJASA-N 443.465 5.497 30 10 IKEE CCCNC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)cc1 21722891 AIWDFLWXFYSPMZ-XMMPIXPASA-N 433.552 5.431 30 10 IKEE C=C[C@](C)(O)CN(Cc1nc2scc(-c3ccccc3C)c2c(=O)[nH]1)C1CCCCC1 36205790 DXAVMHZQDFQPMF-VWLOTQADSA-N 437.609 5.032 30 10 IKEE CC1(C)CC(=O)C2=C(C1)N=C1N=C(SCc3ccccc3)NN1[C@H]2/C=C\c1ccccc1 38184157 GYINBIQYDGIHTQ-HJBMFWNLSA-N 442.588 5.191 30 10 IKEE O=C1/C(=C/c2ccccc2[N+](=O)[O-])S/C(=N/c2cccnc2Cl)N1C1CCCCC1 39864153 BGOBBQAXWCGHAP-QACXOHACSA-N 442.928 5.580 30 10 IKEE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/Nc1ccccc1)CCC2 40824258 CGEUTHBIIQKKEC-VFCFBJKWSA-N 431.492 5.170 30 10 IKEE Cc1c(OCc2c(F)c(F)c(F)c(F)c2F)ccc2c1O/C(=C\c1cccs1)C2=O 41435969 UXMHSCJOPUDASB-AUWJEWJLSA-N 438.373 5.947 30 10 IKEE Cc1cc(OC/C=C/c2ccccc2)cc2c1C(=O)/C(=C/c1ccc(-c3ccccc3)cc1)O2 41436374 OOGOWKIAQVNNAA-LBYTUQFVSA-N 444.530 7.370 30 10 IKEE Clc1ccc(CSc2n[nH]c(N/N=C/c3ccc(OCc4ccccc4)cc3)n2)cc1 59309649 JNVHQNLIAYRBFB-AFUMVMLFSA-N 449.967 5.775 30 10 IKEE CCCCCCCCCCn1c([C@@H](C)NC(=O)Cc2ccc(OC)cc2)nc2ccccc21 102131407 CDYHBAMOTLAXPX-JOCHJYFZSA-N 449.639 6.606 30 10 IKEE N#Cc1ccccc1COc1cccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)c1 108813839 HSVDAOZQXMXDQD-UHFFFAOYSA-N 437.499 5.298 30 10 IKEE C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1C/C(=C/c1ccc(C(F)(F)F)cc1)C2=O 118919575 UELTYJDTQILMTO-XEZMQKIISA-N 446.553 6.671 30 10 IKEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(Br)ccc1Br 160370374 FHQGADQULOJAKR-UHFFFAOYSA-N 449.595 5.755 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2cccc(C)c2C)c1 169934321 KDZCCIAWVZTREB-NRFANRHFSA-N 448.544 5.168 30 10 IKEE Cc1ccc(-c2csc(N/N=C\c3cc(Cl)c(OCC(C)C)c(Cl)c3)n2)cc1C 169940112 HHHPNEDITDPHBW-MRUKODCESA-N 448.419 7.215 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3ccc(Cl)cc3)cs2)cc(Cl)c1OCC 169941867 FFJLWYMCVZAYKQ-KSEXSDGBSA-N 436.364 6.360 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccc(N(C)C)cc2)c1 169954103 VYMUMJFQFDBXMW-RUZDIDTESA-N 440.543 5.461 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(OC(C)C)cc2)c1 169979270 CHGIXUUMKOASNK-DEOSSOPVSA-N 433.548 5.612 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccc(OC(C)C)c2)c1 169979730 NQNJTHLYESTZRH-XMMPIXPASA-N 443.499 5.265 30 10 IKEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccccn2)cc1 169991063 VVDWXOPNGFYYCM-RUZDIDTESA-N 449.510 5.084 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@H]2c2cccnc2)ccc1F 170008246 GIRCTAZLBFWGFN-DEOSSOPVSA-N 438.458 5.465 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@H]2c2ccncc2)ccc1F 170021109 KDYKFPUANRSAJQ-DEOSSOPVSA-N 438.458 5.465 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccccc2)c1 170047872 VJQNTZHGSUQLDH-DEOSSOPVSA-N 426.516 5.152 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 170057486 QKBNRNQADYBURQ-HXUWFJFHSA-N 425.818 5.401 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccccc2F)c1 170069138 OXXGLMYNHDEOHE-QHCPKHFHSA-N 443.430 5.363 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2c[nH]c3ccccc23)cc1 170075214 VUKRWXHYAZDFLH-XMMPIXPASA-N 440.474 5.707 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccco1 170091066 WDUPBPCNUGIPJE-JOCHJYFZSA-N 449.478 5.508 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2c(C)[nH]c3ccccc23)cc1 170104001 QCSZXLDKRBVCCL-QHCPKHFHSA-N 426.472 5.156 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(O)cc2)cc1 170133066 QFTRXUIRDPDDAP-HSZRJFAPSA-N 425.440 5.230 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@@H]1c1ccc(C(C)(C)C)cc1 170150326 FGNIYPHBQSYRIX-NRFANRHFSA-N 425.500 5.120 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1ccc(OCC(C)C)cc1 170167195 TXZHKDFCHIHFPQ-HSZRJFAPSA-N 437.536 5.027 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(Cl)cc1)c1ccc2ccccc2c1 170235513 UHFFKQAHQHERCZ-QHCPKHFHSA-N 443.886 5.865 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(Cl)cc2)c1 170237082 DYTOQBYCUHEWTL-HXUWFJFHSA-N 446.330 5.523 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2OC)[C@H]1c1ccc(C(C)C)cc1 170245212 YFBARITUMBHVSU-HSZRJFAPSA-N 437.536 5.206 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccccc1F)c1c[nH]c2ccccc12 170247726 XYVDWOUXOVMKFE-JOCHJYFZSA-N 430.410 5.229 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2C)cc1C(C)C 170272123 ABUBLDFRFBNPOU-VWLOTQADSA-N 441.527 5.910 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)c(Cl)c2)=C(O)C(=O)N1Cc1ccco1 170274118 IDYKBHVPPMLQTJ-HXUWFJFHSA-N 442.298 5.673 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2C)c(OCC)c1 170278371 WRSGWDNBJIJIII-XMMPIXPASA-N 449.547 5.313 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)c(C)c3)[C@@H]2c2ccco2)c1 170279164 DNVHZXKIGNFYDQ-QHCPKHFHSA-N 447.487 5.168 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccco1)c1ccc2ccccc2c1 170282083 NCYLXIDOLFOODP-QFIPXVFZSA-N 431.394 5.494 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2c2ccc(F)cc2)o1 170299795 LTFNBAUISQRQMK-HSZRJFAPSA-N 449.478 5.606 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1ccc(N2CCCC2)cc1 170396246 DJDACYZNEUQPRO-RUZDIDTESA-N 438.527 5.378 30 10 IKEE Cc1cccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(CC(=O)OC(C)C)cc2)c1 170459827 USUXUZJYRPGYLZ-VWLOTQADSA-N 449.547 5.004 30 10 IKEE N#C[C@@H](C(=O)c1cc(Br)c(Br)s1)c1cccc(Cl)c1F 213780114 JWTUJBJHQYVODV-SSDOTTSWSA-N 437.515 5.556 30 10 IKEE COc1ccc(N=C2S/C(=C\c3c[nH]c4ccccc34)C(=O)N2C2CCCCC2)cc1 252608173 HHSWCDIMZGCQOS-YOIRLTMBSA-N 431.561 6.113 30 10 IKEE CCOc1ccc(NN=C2C(=O)N(c3ccccc3)N=C2CSc2ccc(C)cc2)cc1 254521343 SMQLDPXZUFAROX-UHFFFAOYSA-N 444.560 5.357 30 10 IKEE Cc1cccc(N=C2S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2ccc(O)cc2)c1 254527416 KEUSPPSJYVNLFB-SEYIQKDNSA-N 445.569 5.879 30 10 IKEE CC(C)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(SC(F)F)cc1 254697006 ILSGGCLLEHRKLD-KRWDZBQOSA-N 449.548 5.370 30 10 IKEE O=[N+]([O-])/C(C=Nc1ccc(C2CCCCC2)cc1)=C\Nc1ccc(C2CCCCC2)cc1 254833798 LEOQHCSULHBRTG-LWCDOLJHSA-N 431.580 7.715 30 10 IKEE CC(C)COc1ccc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526518493 YNEAEJGALLPGJE-QHCPKHFHSA-N 430.529 5.712 30 10 IKEE CCOc1cccc([C@H]2C(c3cccc4ccccc34)=C(O)C(=O)N2c2ccccc2C#N)c1 526611798 XZZCWTBGVDIZSP-MHZLTWQESA-N 446.506 6.167 30 10 IKEE Cc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1cccc(OCC(C)C)c1 526804967 BFMXCYDCNRTBKI-YSMPRRRNSA-N 436.625 6.093 30 10 IKEE COc1cccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccc(C)cc2C)c1 526812551 ZZLMOASGOZNQGB-PKAZHMFMSA-N 442.588 5.669 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3)n2/N=C\c2cccc(F)c2)c1 526819853 LSPIKESNHVEKRP-YUMHPJSZSA-N 430.552 5.799 30 10 IKEE Clc1ccc(/C=N\n2cnnc2SCc2ccc(Cl)cc2Cl)c(Cl)c1 526823021 CINZAOSZCRYOOL-HOEBFWFUSA-N 432.163 6.066 30 10 IKEE C=C(C)CN(c1ccc(N2CCCCC2)cc1)S(=O)(=O)c1cc(C)c(C)cc1OC 586214293 AKPFCEBNCMTSDZ-UHFFFAOYSA-N 428.598 5.074 30 10 IKEE COc1ccc(Cl)cc1S(=O)(=O)N(Cc1cccc(C#N)c1)c1cc(C)ccc1C 586258723 WDHUMNFHNCHQIR-UHFFFAOYSA-N 440.952 5.233 30 10 IKEE CC(C)N(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccc(Br)c(Br)c1 698415575 PNGFYQUHUNPGFU-AWEZNQCLSA-N 432.156 5.422 30 10 IKEE CSCC1CCC(C#N)(N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)CC1 698453668 VKWMAEVXNDPWSX-UHFFFAOYSA-N 439.419 6.006 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@](C)(C#N)Cc1cccc(F)c1 698481520 INGNENFDWSJXIV-NRFANRHFSA-N 433.321 5.855 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCCC12CCOCC2 698498030 QUEGYAIHATXZPT-OAQYLSRUSA-N 435.362 5.434 30 10 IKEE C=C1CCC(C[C@@H](NCCC)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 724567468 ABNHYCGPKFRHQF-JWQCQUIFSA-N 443.676 5.516 30 10 IKEE C=C1CCC(C[C@@H](NC)C2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)CC1 724569707 KUHLFPYPPAIGGA-XMMPIXPASA-N 441.660 5.270 30 10 IKEE O=C1/C(=C/c2ccc(Br)cc2)SC(=Nc2ccccc2)N1C1CCCCC1 1084214766 YEPOMVOZKCOTOD-OIBHPTRJSA-N 441.394 6.386 30 10 IKEE CC(=NNc1nc(SCCC(=O)Nc2cc(Cl)ccc2Cl)n[nH]1)c1ccccc1 1084341069 PCJULNILQCRSNR-UHFFFAOYSA-N 449.367 5.069 30 10 IKEE C[C@H]1C[C@@H](C)CN(/C(=N/Cc2cc(Br)ccc2F)Nc2cccc(O)c2)C1 1088652437 PLVUTACLUZMRST-GASCZTMLSA-N 434.353 5.240 30 10 IKEE Cc1cc(C)cc(-n2c(C)cc3c2CC(C)(C)CC3=NOC(=O)Nc2cccc(Cl)c2)c1 1772728307 GAFNISGERGLNNQ-UHFFFAOYSA-N 449.982 6.981 30 10 IKEE CN1C(=O)/C(=C/c2ccc(-c3ccccc3Cl)o2)SC1=Nc1cccc(C(=O)O)c1 1772738371 POFWBGSMTNXCGS-PNVGRYOSSA-N 438.892 5.532 30 10 IKEE Cc1ccc(-n2cc(/C=N\NC(=S)Nc3ccc(F)cc3)c(-c3ccccc3)n2)cc1 1857812078 RSSMNUHEDAJXIL-YSMPRRRNSA-N 429.524 5.307 30 10 IKEE N#C[C@@H](c1cccs1)N1CCC(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 1858107055 SSHXWSZDXHYBJY-INIZCTEOSA-N 427.879 5.336 30 10 IKEE Cc1cccc(C(C)C)c1NC(=O)c1nc(C(=O)Nc2ccccc2C#N)c2ccccn12 1858242787 GJNGKOATKFLPRK-UHFFFAOYSA-N 437.503 5.142 30 10 IKEE CCOc1ccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)nn2Cc2ccc(C)cc2)cc1 1859407860 OVYOFTLEGQCQMP-UHFFFAOYSA-N 436.515 5.430 30 10 IKEE C=CCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)[C@@H]1CCN(Cc2ccccc2)C1 1860029973 BCAMPGWHBDELRZ-FXAWDEMLSA-N 433.379 5.050 30 10 IKEE CC(C)(C)c1ccc(OCCSc2nc(O)c(C#N)c(-c3ccccc3Cl)n2)cc1 1860825046 KKXSRHUHBRRHNJ-UHFFFAOYSA-N 439.968 5.843 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)c1ccc(OC)c(OC)c1 1861061186 MFJADSNEJWESKN-NRFANRHFSA-N 434.621 5.249 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)/C=C/c1ccc(F)cc1)c1ccccc1 1861116410 YRGQENKCBATSFH-GDNFTRMYSA-N 438.587 5.953 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)c1ccc(Br)cc1 1861339013 BUEXTRDFQHLPAY-JOCHJYFZSA-N 439.438 5.605 30 10 IKEE CCCCCCCCNC(=O)C(C)(C)NC(=O)c1ccc2[nH]c(-c3ccc(C)cc3)nc2c1 1861433784 GBWXBENQXSEBNU-UHFFFAOYSA-N 448.611 5.523 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@H]1c1ccccc1Cl 1862391724 HIGNILWKRYYDHQ-HSZRJFAPSA-N 439.983 6.451 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1F 1862413762 KNLBWPDEEBOBGZ-JOCHJYFZSA-N 441.449 5.573 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(Cl)cc1 1862416067 CECVZEOTVLAHOQ-WHIIXXIBSA-N 445.893 5.775 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(F)cc1F 1862416704 JIFPZMYXVKTMHL-PCFDJQJPSA-N 447.428 5.400 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(C(C)(C)C)cc1 1862421185 WKTPSCOEABMPSL-QFIPXVFZSA-N 441.518 6.031 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862444657 DCLPCACKKOEFIQ-XMMPIXPASA-N 445.946 5.989 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1cccc2ccccc12 1862460044 HFSZRHRNSBAPCF-MCMMXHMISA-N 439.433 5.634 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCc2cccs2)cc1 1862474715 SHAAUABGPPGFPO-QHCPKHFHSA-N 431.557 5.440 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccccc2Cl)ccc1F 1862502980 MQKYXHSWMMKQLK-HSZRJFAPSA-N 449.909 5.609 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2ccc(C(C)C)cc2)cc1 1862516527 QNWIPRRGLRFHHM-KOSHJBKYSA-N 435.564 5.976 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(Br)c2)=C(O)C(=O)N1CCC(C)C 1862524126 XPQVLYKSFWCAFM-FQEVSTJZSA-N 442.353 5.382 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1c(F)cccc1Cl 1862531329 LLAMRUJVSLPMNM-QFIPXVFZSA-N 443.946 6.200 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(F)cc1F 1862583842 KYLJEYGHAKSPFC-KRWDZBQOSA-N 426.246 5.258 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc2cc[nH]c2c1 1862616492 SMQKNLGAEOOWFE-DEOSSOPVSA-N 444.575 6.090 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCCCN(C)C)c1 1862661142 TVJJYEFYHCAXID-DEOSSOPVSA-N 434.580 5.039 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(N(C)C)cc2)cc1 1862664223 GUSRTDUWOLUGMR-DEOSSOPVSA-N 432.564 5.397 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 1862678113 OGASFDFVJWZOJV-CUHUQNRHSA-N 449.566 6.280 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1c(Cl)cccc1Cl 1862705936 JWKIOKLPHVIOTJ-BLVKFPJESA-N 434.319 5.379 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccccc2C)cc1 1862713537 QNTYSFQOEMYXMC-MHZLTWQESA-N 447.534 6.235 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@@H]1c1ccccc1)c1ccc2ccccc2c1 1862713928 ZZQWBCHDSMCEHJ-AREMUKBSSA-N 439.555 6.531 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(O)cc1)c1ccc(-c2ccccc2)cc1 1862722631 WDJIUCPHUJNCOF-VWLOTQADSA-N 439.511 5.580 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccc2ccccc12 1862755505 CHAUVGYJMPXLLD-HSZRJFAPSA-N 444.487 5.517 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3cc(Cl)ccc3C)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1863031142 YUIZTJHCKOZKBY-UHFFFAOYSA-N 441.918 5.534 30 10 IKEE CCCCCCCCNC1=C(c2cc(Cl)ccc2Cl)C(=O)N(CCCOC)C1=O 1863722638 SUSOYCLYBHKBMW-UHFFFAOYSA-N 441.399 5.060 30 10 IKEE CCc1nc(Nc2ccc(C#N)cc2)cc(N2CCC(Oc3ccc(Cl)cc3)CC2)n1 1868291125 IGUWXSAVXKETPJ-UHFFFAOYSA-N 433.943 5.355 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)CCCCCCCC)n(-c2ccccc2Cl)n1 1870003737 IAYWIFRRYDEOMX-UHFFFAOYSA-N 429.996 5.788 30 10 IKEE CCCCN(CCC)c1nc(NC(=O)c2cccc(C#N)c2)n(-c2ccc(Cl)cc2)n1 1870010189 AJYSTEUQKUYWPR-UHFFFAOYSA-N 436.947 5.061 30 10 IKEE CCCCCCCOc1cn(CCC2=CCCCC2)c(CSc2ccccn2)cc1=O 1870259670 CIPCILGCMRXDRZ-UHFFFAOYSA-N 440.653 6.775 30 10 IKEE CCCCCCCCCCn1cc(OCCOc2ccc(C)cc2)c(=O)cc1CN(C)C 1870774147 GVGQVLINZNLTJX-UHFFFAOYSA-N 442.644 5.817 30 10 IKEE C=CCOc1cn(Cc2ccccc2C)c(CNc2cc(C(C)C)cc(C(C)C)c2)cc1=O 1870809410 BALXJEVLCIIBOH-UHFFFAOYSA-N 444.619 6.629 30 10 IKEE CCCCCCCOc1cn(Cc2ccccn2)c(CNc2ccc(C)c(C)c2)cc1=O 1870838253 VVHMMNHPYAKXHM-UHFFFAOYSA-N 433.596 5.870 30 10 IKEE CCCCCCCCCCn1cc(OCCC)c(=O)cc1CNc1ccc(Cl)cc1C 1871105974 JEIHMSHYQGXOOR-UHFFFAOYSA-N 447.063 7.352 30 10 IKEE COc1ccc([C@@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2ccccc2Cl)C4=O)cc1 1871354013 FADVNRIKTFAHDZ-ACMDDDSKSA-N 447.918 5.878 30 10 IKEE Cc1c(OC(=O)/C=C/c2ccc(F)cc2)ccc2c1O/C(=C\c1ccccc1Cl)C2=O 1871365906 KKALTNFXZYRXJO-TXTIWSOFSA-N 434.850 6.023 30 10 IKEE CCCCC1CCC(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2F)C3=O)CC1 1871382686 BFWYZLZUXBZOTL-IWIPYMOSSA-N 436.523 6.652 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccco2)C3=O)c(OCC)c1 1871386773 MLLPZDZPBDRIAM-HMAPJEAMSA-N 434.444 5.221 30 10 IKEE C[C@@H]1C[C@@H](C)CN(Cc2c(O)ccc3c2O/C(=C\c2c(Cl)cccc2Cl)C3=O)C1 1871396683 RALNECPFVYSYQR-RYXVLCDZSA-N 432.347 5.793 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4cccc(Cl)c4C)ccc3C2=O)c1 1871408461 VUNXVURWQLMKMI-GHRPQRKGSA-N 447.918 5.979 30 10 IKEE CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2cccs2)C3=O)cc1 1871408606 XQVUWGZRRRMJMW-LRSOKBAUSA-N 449.528 5.477 30 10 IKEE Cc1cc(C)c(COc2cc(C)c3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)cc1C 1871418096 WNWXXDYRUGDUSR-MSXFZWOLSA-N 429.472 6.024 30 10 IKEE Cc1cc(OCC(=O)Nc2cccc(Cl)c2C)cc2c1C(=O)/C(=C/c1ccccc1)O2 1871427672 OJCQEFMKHDPLCE-UUYOSTAYSA-N 433.891 5.591 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 1871434999 XDSFGJUVJNHAHH-MPYCUAEQSA-N 434.532 6.140 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871453512 CCWVYVNUCMICEZ-UUYOSTAYSA-N 433.891 5.591 30 10 IKEE Cc1cc(Cl)ccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1sccc1C)C2=O 1871454263 FYSFCOHNEVPHJD-JAIQZWGSSA-N 439.920 5.652 30 10 IKEE CCCCCCCCN=c1nc(N2C[C@@H](C)C[C@H](C)C2)[nH]c(=Nc2cc(C)cc(C)c2)[nH]1 1871550375 LVWRHEHYSIXIND-VXKWHMMOSA-N 438.664 5.331 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(=O)(=O)CCC 1872215807 DMTUBCOILRCEMK-XMMPIXPASA-N 442.625 5.387 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(Cl)cc1 1872557014 UULLQNVRZXMNGT-JOCHJYFZSA-N 449.016 5.331 30 10 IKEE COc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3cccc4ccccc34)cs2)c(OC)c1 1872775438 QLJRIUVBXYZWIH-UFSNDUKISA-N 440.524 5.870 30 10 IKEE CC(C)c1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(C(C)(C)C)cc3)n2)cc1 1872776156 JORGEVQVBDMRSR-XAYULXIRSA-N 428.601 7.121 30 10 IKEE CCCCCCCCNC1=C(c2c(C)cc(C)cc2C)C(=O)N(C2CCCCCC2)C1=O 1873121192 ROABLRYRDDWDPT-UHFFFAOYSA-N 438.656 6.365 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@H](C)c2ccccc2)=C(c2ccccc2)C1=O 1873160065 VCFOFQBUOJWBPC-JOCHJYFZSA-N 432.608 6.258 30 10 IKEE C=CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccccc1F 1874217434 BQJMSKSIVVNAJJ-WYMPLXKRSA-N 430.936 5.427 30 10 IKEE CCc1ccc(OCCCc2nnc(SCc3ccccc3)n2/N=C/c2ccco2)cc1 1874224284 CCVBOOHTWKRFJU-NLRVBDNBSA-N 446.576 5.620 30 10 IKEE CCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccccc1OC(C)C 1874270495 FAOZKPZUKIMZHJ-YZSQISJMSA-N 430.577 5.804 30 10 IKEE C=C(C)CSc1nnc(CCc2cccs2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874371833 UFNKHEJLFFAIQQ-SRZZPIQSSA-N 447.973 5.237 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1ccc(Br)cc1 1874380436 SMSAGZRJAIWCME-FSJBWODESA-N 445.361 5.321 30 10 IKEE C=C(C)CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1cccc(Br)c1 1874395890 XVWXTWPVJQRMBF-DXRSZSRVSA-N 441.398 5.743 30 10 IKEE COc1ccccc1/C=N/n1c(CCc2ccccc2)nnc1SCc1cccc(F)c1 1874402239 OSRBSBVQYFBHMD-WPWMEQJKSA-N 446.551 5.386 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2[C@H]2CCCO2)cc1 1874451015 PXXHHXMRLSZYLK-LSCMLXDISA-N 426.973 5.520 30 10 IKEE COc1cc(/C=N/n2c(CC(C)C)nnc2SC)ccc1OCCCc1ccccc1 1874486377 OPYAODWMYKPLTI-KOEQRZSOSA-N 438.597 5.101 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C2CCC2)cc1 1874496473 OFPQPYVBEYSXEA-BHGWPJFGSA-N 435.355 6.166 30 10 IKEE CSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccc(Cl)cc1 1874542234 PSOSUWIABKWOPP-ZMOGYAJESA-N 449.407 5.817 30 10 IKEE COc1ccc(/C=N/n2c(S)nnc2C2CCCC2)cc1OCc1ccc(Cl)cc1 1874559843 RYEOPAQRLGWRFM-ZMOGYAJESA-N 442.972 5.348 30 10 IKEE COC(=O)c1ccc(COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(F)cc2F)o1 1874576465 OFFLXABKJDEZTM-FARCUNLSSA-N 432.806 5.473 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2c(C)cccc2C)c1 1874580301 HLKCKHBZHIYSOD-ZRDIBKRKSA-N 447.962 6.487 30 10 IKEE COC(=O)c1ccc(COc2ccc3ccccc3c2/C=C/C(=O)c2cc(C)ccc2C)o1 1874580652 ZEHMQXIUBRWIKF-OUKQBFOZSA-N 440.495 6.311 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1cc(Br)ccc1OCCO 1874586623 WJWWOPGINVRKKS-DUXPYHPUSA-N 446.124 5.032 30 10 IKEE O=C(COc1cccc(/C=C/C(=O)c2cccc(Br)c2)c1)NC1CCCCC1 1874594954 MFEAWKJCZVWAAH-OUKQBFOZSA-N 442.353 5.173 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OCC(=O)N[C@@H](C)c1ccccc1 1874596001 DYCQIDMMXMFFBJ-RNTFSAEZSA-N 429.516 5.156 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1OCc1cccc(F)c1 1874606257 FDRLSJUYQXPVEJ-UXBLZVDNSA-N 445.317 7.006 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 1874615068 FPQLNISSBYJYCD-VIZOYTHASA-N 436.935 6.613 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3ccc(C)cc3)c(OC)c2)cc1F 1874621616 MEFBZCVEJBKOEF-PKNBQFBNSA-N 436.479 5.635 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 1874622646 NNQBQRNZXIUATJ-MKMNVTDBSA-N 433.479 6.507 30 10 IKEE CCCOc1c(OCC)cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc1[N+](=O)[O-] 1874634579 JNSHWHUAWKEGIF-BQYQJAHWSA-N 433.888 5.649 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)[C@H]2C[C@H]2c2ccccc2Cl)c1)c1cccc([N+](=O)[O-])c1 1874692342 BDNZRYHIWMHPGW-KFDAMUOLSA-N 447.874 5.853 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3ccc(C)cc3C)c2)cc1 1874701127 CNQBRMUVZDLPDA-NTEUORMPSA-N 430.500 5.583 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC(=O)CC(C)(C)C 1874711108 SVGOCXGXHJZZJH-PKNBQFBNSA-N 438.564 6.373 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1OC(=O)c1sccc1C 1874711292 UYHFXZZNZQVILQ-SOFGYWHQSA-N 436.529 5.806 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cccc(OC)c3)c2)c(OCC)c1 1874714980 XKYSOJJPGFQQSV-NTCAYCPXSA-N 446.499 5.608 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(Cl)c(Cl)c2)CSc2nnc(C)n21 1874822137 ANTYZXMOIUXLFE-GOSISDBHSA-N 441.428 5.956 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1Cl 1875096543 SYAQCNQIOISFLC-GXDHUFHOSA-N 426.899 6.917 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(F)c3)c(Cl)c2)cc1OC 1875098339 DVMPDLXVAJHQRO-RMKNXTFCSA-N 440.854 5.612 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(OCC)c(OC(=O)CC)c([N+](=O)[O-])c2)cc1 1875106230 IRLHYWWTXMGKHC-SDNWHVSQSA-N 425.481 5.548 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1cc2ccccc2n1C 1875127784 YCXBOPVNIBGWDA-NTUHNPAUSA-N 445.902 5.956 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)c3ccccc3)c(OC)c2)cc1 1875138948 KIMBAFIRBSZDHR-NXZBIGBUSA-N 444.527 6.089 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)c3ccccc3)c([N+](=O)[O-])c2)c1 1875139548 NNBVPNMKFGQXQF-XSSIKURBSA-N 429.472 5.817 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3F)c(Cl)c2)c1 1875145956 WMYHPQVDGKNUQD-JXMROGBWSA-N 440.854 5.612 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc(OC)c1OC(=O)C(C)(C)C 1875147775 LFSYSUQGOMYCBC-CSKARUKUSA-N 436.504 5.043 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc(OC)c1OC(=O)c1ccco1 1875153753 VYLFXDJOOCGLQR-CSKARUKUSA-N 436.435 5.280 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1)c1ccc(F)cc1 1875157645 IFGUCJBHNOIUBO-QDEBKDIKSA-N 430.431 5.088 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H]3CCCO3)cc2)cc1 1875159704 WEWDWFUTTAHWKD-HYSUNIORSA-N 436.548 6.016 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1OC(=O)c1cccnc1 1875166041 NFXAJFWAIFLIJI-CMDGGOBGSA-N 449.934 6.093 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)CC(C)C)c(OCC)c2)c1 1875172248 LKSXZVRAKCVZAP-FMIVXFBMSA-N 440.536 5.730 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)CCc1ccccc1C 1875176286 ADPTWNHMEAXIPN-RVDMUPIBSA-N 442.555 6.445 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)Cc1ccc(Cl)cc1 1875179007 OPNKTJPLGOWMSQ-KPKJPENVSA-N 434.919 6.010 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3cncc(C)c3)c(OC)c2)cc1C 1875191128 DSTVRBBDCJDEAY-SOFGYWHQSA-N 431.488 5.139 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2cccc(C)c2)c(Cl)c1 1875193230 YCPGBHLWNSPNDN-RMKNXTFCSA-N 441.310 6.426 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2cc(C)cc(Br)c2F)cc1 1927537101 CFDZYDZFPKTYKL-SFHVURJKSA-N 433.321 6.211 30 10 IKEE C[C@H]1CN(Cc2ccccc2)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 1949313805 MXZVXPJPHRGGNR-HFZDXXHNSA-N 425.617 5.751 30 10 IKEE CC(C)(C)OC(=O)NC(C)(C)[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1991735323 FHBCXIVNSNOGLO-JOCHJYFZSA-N 437.968 5.667 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)C12CCC2 2020571906 HGYQIMHBCZKGOE-XMMPIXPASA-N 433.593 5.382 30 10 IKEE C=C[C@]1(Oc2cc(Cl)c(Br)cc2N)CCCN(C(=O)OC(C)(C)C)C1 2078230292 HLVWGJBBGSTVEP-SFHVURJKSA-N 431.758 5.019 30 10 IKEE CC(C)[C@H](c1ccc(C2CC2)cc1)n1nc(C2(C)CC2)c(C#N)c1I 2079043229 YDISKHMGFWIICC-GOSISDBHSA-N 445.348 5.534 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](c2c(C3CCCCC3)nn3c(Cl)c(C#N)cnc23)C1 2081502858 KBSKQIGJMRKEFT-OAHLLOKOSA-N 429.952 5.026 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(C)ccc(Br)c1F 2145545362 YGVXJFMINKMJBR-VQIMIIECSA-N 441.385 5.244 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)C1(C#N)CCN(C(C)(C)C)CC1 2158733995 IOOBZJSHXYLJOX-UHFFFAOYSA-N 436.394 5.347 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1ncoc1C(F)(F)F 2167868724 IKNJDUGVRWTWRJ-LBPRGKRZSA-N 446.223 5.462 30 10 IKEE CCCCC#CC[C@@H](NCCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2203809760 ISLWFNOXOGIOCG-LJQANCHMSA-N 437.422 6.421 30 10 IKEE C=CCCCCCCC[C@H](NC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2235532211 IAIOOTWMEUNKCG-FQEVSTJZSA-N 439.438 6.973 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2cc(C)ccc2Br)cc1 2236338426 GXMYFHCIIUHLFL-IBGZPJMESA-N 431.330 5.773 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)CC1 2242079912 JRLFEMSIWRSHER-RUZDIDTESA-N 443.588 5.497 30 10 IKEE C#CCC1(NC(=O)[C@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)CCC1 2243918319 DRCOLEZWKUQRBH-VWLOTQADSA-N 444.575 5.002 30 10 IKEE C=CCCC1([C@H](NC)c2scc(Br)c2C)CN(C(=O)OC(C)(C)C)C1 2255000769 GCWZTXHNSGPFFE-MRXNPFEDSA-N 429.424 5.283 30 10 IKEE C=CCCCCCC[C@@H](NCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2256699592 FDYQMFZHQOQJOX-XMMPIXPASA-N 444.660 5.945 30 10 IKEE C=CC[C@@]1(COc2cc(C)c(N)cc2Br)CCCN1C(=O)OC(C)(C)C 2272243072 PYOKVZGNMCOLSB-FQEVSTJZSA-N 425.367 5.064 30 10 IKEE C=CC[C@@](C)(CNC(=O)OC(C)(C)C)COc1ccnc2ccc(Br)cc12 2285337374 RHODZVPHJZIJFA-NRFANRHFSA-N 435.362 5.483 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)cc(C(C)(C)C)c1 2288660019 QKUWAVHAVYDJPX-RTBURBONSA-N 439.438 5.867 30 10 IKEE C/C=C/C[C@@H](NC(=O)OC(C)(C)C)[C@H](C#Cc1ccc(Br)cc1)NCCC 2296300638 KVJNUYJHFFIKJP-NTQLHHNMSA-N 435.406 5.028 30 10 IKEE COc1cc(C=C2SC(=O)NC2=Nc2ccccc2)ccc1OCc1c(C)noc1C 2297473054 HHQASCKLUFUAOE-UHFFFAOYSA-N 435.505 5.407 30 10 IKEE CC[C@@]1(C)N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1C 2315231910 QETOPUMCNKYMFM-RPBOFIJWSA-N 443.588 5.808 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(C(C)C)cc1)O3)CN(C1CCCCCCC1)CO2 2322183806 UYDRERLLCOGYIZ-UHFFFAOYSA-N 445.603 6.999 30 10 IKEE COc1ccccc1CN1COc2c(cc3c(c2C)OC(=CC=Cc2ccccc2)C3=O)C1 2322318929 AFFQHVQQBLSRNY-UHFFFAOYSA-N 439.511 5.528 30 10 IKEE Cc1ccc(CCN2COc3c(cc4c(c3C)OC(=Cc3ccc(Cl)cc3)C4=O)C2)cc1 2322436525 FAOPKYRSJOJIGP-UHFFFAOYSA-N 445.946 5.968 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(C)cc1 2322484073 NINMJAJNBZUGGQ-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE COc1ccc(Br)cc1C=C1Oc2cc(OC(=O)C(C)(C)C)cc(C)c2C1=O 2322648639 UFCDYXXPKMLQDY-UHFFFAOYSA-N 445.309 5.334 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3ccccc3c2C=CC(=O)c2ccc(F)cc2)cc1 2322748086 VTOCWKXKXJTHAQ-UHFFFAOYSA-N 439.486 6.201 30 10 IKEE Cc1c(OC(=O)c2ccc3c(c2)OCO3)ccc2c1OC(=Cc1ccc(C(C)C)cc1)C2=O 2322775457 ABSUTVSHMZRBMJ-UHFFFAOYSA-N 442.467 5.683 30 10 IKEE COC(=O)c1ccc(COc2ccccc2C=CC(=O)c2cc(Cl)ccc2Cl)o1 2322999487 VDVNIHXVGIFFQB-UHFFFAOYSA-N 431.271 5.848 30 10 IKEE CC(C)COc1c(Cl)cc(C=NNc2nnc(-c3ccccc3)c(O)n2)cc1Cl 2323283880 FIDIXWMAMFXQNV-UHFFFAOYSA-N 432.311 5.032 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)ccc1OCc1ccc(C(=O)OC)o1 2323481465 ATRLDNBGLMKFIC-UHFFFAOYSA-N 434.488 5.502 30 10 IKEE CCCNC(=O)COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1Cl 2323512487 VNIUVRBFXASHAT-UHFFFAOYSA-N 426.727 5.448 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc([N+](=O)[O-])c1OCc1ccc(F)cc1 2323959460 KOPJSJZJZGBSAK-UHFFFAOYSA-N 449.478 6.225 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(O)c2CN2CCC(Cc3ccccc3)CC2)C1=O 2324029701 CFIFTTVYWVUEOA-UHFFFAOYSA-N 439.555 5.772 30 10 IKEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2OC)o1 2324077696 GDCKCKYTKWRVFW-UHFFFAOYSA-N 448.515 5.847 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2cc(Cl)c(OCCC)c(OC)c2)cc1 2324197369 YSTYRTKIJVTJLU-UHFFFAOYSA-N 444.999 7.383 30 10 IKEE CCCOc1c(Cl)cc(C=CC(=O)c2cc(Cl)c(OC)cc2OC)cc1OCC 2324426415 XXFYVYTWTWOTNQ-UHFFFAOYSA-N 439.335 6.094 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2cc(C)c(OC)cc2C)cc1 2324628272 XHILFSGFFPPWNK-UHFFFAOYSA-N 443.543 5.788 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OCCOc4ccc(OC)cc4)c3C)C2=O)cc1 2324683472 JPDFUAYECVXRBE-UHFFFAOYSA-N 430.500 5.640 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O)Nc1ccc2ccccc2c1 2324959058 QJOXHCWDPIJIHV-UHFFFAOYSA-N 439.442 5.613 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccccc1OCCC 2325525904 NXOBWZKMULVIRS-UHFFFAOYSA-N 436.625 6.201 30 10 IKEE COc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)c1cc(C)cc(C)c1 2325721511 QIJIWRGBXJNGTM-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE O=C(CC12CC3CC(CC(C3)C1)C2)Oc1cccc(C=CC(=O)c2cccc(Cl)c2)c1 2325728696 OBNAAKFXEOKSPT-UHFFFAOYSA-N 434.963 6.748 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(-c3ccccc3)cc2)c1)c1ccc(Cl)cc1 2325730240 XGNUSPSCMXXKSS-UHFFFAOYSA-N 438.910 7.122 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OC(=O)c1cccc([N+](=O)[O-])c1 2325760006 WMXGUYSCBPTXCI-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE CCOc1ccc(C(=O)Oc2cccc(C=CC(=O)c3cc(Cl)ccc3OC)c2)cc1 2325781688 HQXOHQSOIDRBMF-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 2326076447 OBQARZVSMIPCCS-SANMLTNESA-N 442.600 5.232 30 10 IKEE CCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1ccc(Cl)c(Cl)c1 2326681346 LMMWXVUDHPUSCB-UHFFFAOYSA-N 430.364 5.584 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2Cl)n1N=Cc1ccc(N(C)C)cc1 2327649424 XXLFXHISMGPRFM-UHFFFAOYSA-N 441.988 5.127 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2)n1N=Cc1ccc(C(C)(C)C)cc1 2328754217 QIZXOJDZWXWEHC-UHFFFAOYSA-N 434.609 5.748 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2ccccc2C)cc1C 2329423876 OYVDDVORUVREIB-UHFFFAOYSA-N 426.589 5.969 30 10 IKEE Cc1cccc(C=Nn2c(CCc3ccccc3C)nnc2SCc2cccc(C)c2)c1 2329476622 RABCZRHLWIRKHI-UHFFFAOYSA-N 440.616 6.163 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCCc2ccccc2)n1N=Cc1ccc(O)c(O)c1 2330115513 TZXGYJIZWQIRPW-GOSISDBHSA-N 444.560 5.058 30 10 IKEE C=CCSc1nnc(Cc2cccs2)n1N=Cc1ccc(OCCCC)c(OC)c1 2330399628 OLFJLTSMOUQGBO-UHFFFAOYSA-N 442.610 5.278 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2ccccc2C(=O)O)cc1 2330625100 SOUKNSJBKQEWRT-UHFFFAOYSA-N 428.517 5.126 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2cccc(F)c2)nnc1-c1ccccc1 2330653766 FLOZIIBAUQUYEY-UHFFFAOYSA-N 444.535 5.824 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)CCCC4)cc2)c1 2330679654 NVCGJEPDKBPLRG-UHFFFAOYSA-N 440.539 6.008 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3F)c(Cl)c2)cc1 2330747750 ZQBMIWZMRPPRGJ-UHFFFAOYSA-N 426.846 6.296 30 10 IKEE C=CCSc1nnc(CC(C)(C)C)n1N=Cc1ccc(OCCCCCC)c(OC)c1 2330855574 WVGPTTONZRZXLJ-UHFFFAOYSA-N 444.645 5.995 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc4ccccc4n3C)c(Cl)c2)cc1 2330965691 RYICWXZMGAAOKD-UHFFFAOYSA-N 445.902 5.956 30 10 IKEE COc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2[C@H]2CCCO2)cc1 2330979634 MGCTUJRLKYJGBY-HSZRJFAPSA-N 444.560 5.466 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2cccc(Br)c2)cc1[N+](=O)[O-] 2331004372 PWZNMVCALKPANG-UHFFFAOYSA-N 432.270 5.349 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(-c3ccccc3)cc2)cc1)c1ccc([N+](=O)[O-])cc1 2331017857 MGVLUIOIFUMHML-UHFFFAOYSA-N 449.462 6.377 30 10 IKEE Oc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CCCC2)c(O)c1 2331093079 LNEAQYFTANGISW-UHFFFAOYSA-N 428.945 5.175 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)c1ccncc1 2331096935 KLZUAHQIUWMROI-UHFFFAOYSA-N 443.833 5.527 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2C(F)(F)F)cc1 2331122682 SIPVMVPIVHHBOZ-UHFFFAOYSA-N 448.514 5.959 30 10 IKEE Fc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C(F)(F)F)cc1 2331163348 ZKCYGJBRRLPWGM-UHFFFAOYSA-N 432.805 5.403 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)[C@@H](C)c1ccccc1 2331215940 ZKZSUFPSYANJBR-IBGZPJMESA-N 448.946 6.571 30 10 IKEE COCCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(C(C)(C)C)cc1 2331259353 SQSUBFNRBGVQNF-UHFFFAOYSA-N 426.561 5.078 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)c1ccc(F)cc1 2331276464 AHTZVLWVBPZXPT-UHFFFAOYSA-N 438.882 6.302 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OC(=O)CCCSC 2331432095 OHFSBSFUTYAFCJ-UHFFFAOYSA-N 448.924 5.022 30 10 IKEE COc1cc(C=Nn2c(SCc3cccc(C)c3)nnc2C2CCC2)cc(Cl)c1O 2331498189 RPCHEPJERRDSQI-UHFFFAOYSA-N 442.972 5.396 30 10 IKEE Clc1cccc(Cl)c1C=Nn1c(SCCc2ccccc2)nnc1C1CCC1 2331529178 MRGGEEBLIUKSOH-UHFFFAOYSA-N 431.392 6.069 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2OCC)c1 2331535314 IDTBVPISVQVQOM-UHFFFAOYSA-N 434.463 5.738 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)cc1)c1ccc(F)c(F)c1 2331555265 WZRBEMRTTMKTOH-VQTJNVASSA-N 438.857 6.223 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1ccc(F)cc1 2331653459 JSJZENFDXBMCHM-UHFFFAOYSA-N 446.518 6.573 30 10 IKEE CO[C@]1(C)C[C@@H]2C[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2356220616 XOUSCIQRPDEWQL-VUEDXXQZSA-N 435.362 5.288 30 10 IKEE CC[C@@H](NCc1sccc1Br)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363844208 OOCLMUDNBPIVAP-QGZVFWFLSA-N 436.224 5.051 30 10 IKEE Cc1cc(Br)c(Oc2ccc(N)c(CC#N)c2)cc1NC(=O)OC(C)(C)C 2370355510 VOARGOJJFBVAPQ-UHFFFAOYSA-N 432.318 5.545 30 10 IKEE COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C/c1ccc(Cl)cc1Cl)C2=O 2413755 OEZQUKJEMCRQHK-UFFVCSGVSA-N 441.266 5.837 30 10 IKEE C=CCN1C(=O)[C@@H](Cc2cccc(C(F)(F)F)c2)S/C1=N\N=C(/C)c1ccc(F)cc1 9363680 QEDZPCJTDQBXSY-GDNNAFSSSA-N 449.473 5.297 30 10 IKEE CCOc1ccc(NS(=O)(=O)c2ccc(/N=C/c3ccc(Cl)cc3Cl)cc2)cc1 12484396 JPTPSJLLIYSWIT-ZVHZXABRSA-N 449.359 5.944 30 10 IKEE C[C@H]1CCCC/C1=N/Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] 12499632 XILSPTHKPGEFQZ-ZCBJIMFGSA-N 436.921 5.027 30 10 IKEE Cc1cc(C)c(/N=C2/S[C@H](CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2C)c(C)c1 17084440 DKUIRAHKCVKKRS-GQKAQOFESA-N 449.498 5.221 30 10 IKEE CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=N[C@@H]2c1c[nH]c2ccccc12 17094436 JDAMVHLOWWRSQV-JOCHJYFZSA-N 425.492 5.065 30 10 IKEE COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2S[C@H]3c2ccccc2)cc1OC 19638837 JZWXBFVEHMKJDS-WINIVTDRSA-N 443.568 6.364 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 20700382 KPJZTYJQJPTTHP-IECBHUPTSA-N 440.996 5.529 30 10 IKEE COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1Cl 20882083 XYBDGAASWJXWPE-XHCCPWGMSA-N 444.962 6.637 30 10 IKEE Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OCC(C)C)cc2)C3)o1 21229806 YQCKRRBJBQFFCC-NGOKVRLYSA-N 442.559 6.602 30 10 IKEE CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2sccc2C)C2=C(CCCC2=O)N1 27547685 NRPBZKZATKYGSE-HXUWFJFHSA-N 446.494 5.682 30 10 IKEE N#Cc1ccccc1COc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1 33690959 JNRVANJSPHKXBH-UCQKPKSFSA-N 442.565 5.539 30 10 IKEE COc1cc(/C=C\C(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1ccccc1C 34955595 SNUMPGBTAUDNNC-PDGQHHTCSA-N 448.518 6.786 30 10 IKEE COc1ccc(CO/N=C(/C)c2cc(-c3ccc(F)cc3)n(-c3cccc(C)c3)c2C)cc1 35843455 CJWXJTVYSXUJMS-COEJQBHMSA-N 442.534 6.850 30 10 IKEE C=CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc(C)cc2)c1 39824450 LAAJAELOMDDNPZ-VWLOTQADSA-N 437.495 5.412 30 10 IKEE C=CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C)c(C)c2)c1 39872789 VIEQVSOGMIFFLR-VWLOTQADSA-N 437.495 5.724 30 10 IKEE C=CCc1ccccc1OCCCCn1c(CCCN2CCCCCC2)nc2ccccc21 39917795 UNPADWRFQBXAET-UHFFFAOYSA-N 445.651 6.433 30 10 IKEE Cc1ccnc(NC(=O)c2oc3c(c2C)/C(=N/Nc2cccc(C(F)(F)F)c2)CCC3)c1 40824094 ISEZVIIUSFOTDS-OCSSWDANSA-N 442.441 5.715 30 10 IKEE COc1ccc2c(c1)c(/C=C1\Oc3c(CN4CCCC[C@@H]4C)c(O)cc(C)c3C1=O)cn2C 41511552 QVORPWOAQRVGKT-VJUVOTIISA-N 446.547 5.192 30 10 IKEE O=C1/C(=N/Nc2c(F)c(F)c(F)c(F)c2F)c2ccccc2N1C/C=C/c1ccccc1 59152134 YXOIKRWTWTZPAQ-UBDKTGEJSA-N 443.375 5.258 30 10 IKEE Oc1ccc(Br)cc1/C=N/c1cc(-c2ccccc2)nn1Cc1ccccc1 59391471 OHZFJSWFMUMSQM-MFKUBSTISA-N 432.321 5.817 30 10 IKEE C/C(=N\Nc1nc(S[C@H](C)c2nnc(C3CCC3)o2)n[nH]1)C12CC3CC(CC(C3)C1)C2 59879835 HBYRDZPCJFGBFR-VSCKWBHOSA-N 441.605 5.313 30 10 IKEE CCCCCCCCCCCCCCCCNC(=S)NC(=O)c1ccc(OC)cc1 100069735 OMBHCBHSFHZGOZ-UHFFFAOYSA-N 434.690 6.781 30 10 IKEE CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CC)/C(=N/c3ccc(C)c(Cl)c3)S2)cc1 100245108 XWCZEZWBMCIYPX-NWIBBQCFSA-N 445.972 5.027 30 10 IKEE CC1=CC(C)(C)NC(=S)N1c1cccc(C(=O)/C=C\c2ccc(Cl)cc2Cl)c1 103908176 ZVAWYBZJGZAZBX-NTMALXAHSA-N 431.388 6.266 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccc(OCC(C)C)cc1 135880345 VCHUXHNKEKKLND-QFEZKATASA-N 443.016 6.093 30 10 IKEE Clc1ccc(CSc2nncn2/N=C\c2ccc(OCc3ccccc3)cc2)cc1 139670595 IFHKUQPBKGPLAF-WGARJPEWSA-N 434.952 5.685 30 10 IKEE CCCN1C(=S)N[C@H](c2ccc(OC(C)C)c(Cl)c2)C(C(=O)c2ccccc2)=C1C 169928947 VVNZDKJBAZCOFY-JOCHJYFZSA-N 443.012 5.925 30 10 IKEE COc1ccc(-c2csc(N/N=C\c3ccc(OC)c(Br)c3)n2)c(OC)c1 169940125 PXYVUSVYPXLECT-FBHDLOMBSA-N 448.342 5.044 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1c1cccc(C)c1C 169944163 YZWGHRJSWYMQDD-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2cccs2)c1 169981770 GCJSMWUHVDDGLH-QFIPXVFZSA-N 433.529 5.547 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2cccs2)cc1 169983078 JKLKYEZWXLTSSA-QFIPXVFZSA-N 433.529 5.663 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1cccs1)c1cccc(Cl)c1 169987797 ZXJBIXBWRMSSJY-GOSISDBHSA-N 431.847 5.463 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2ccccn2)cc1C 169994148 OGXPSGUNKHFKAQ-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@H]2c2ccncc2)cc1 170021205 NOOJUAOZZCNEPH-DEOSSOPVSA-N 436.467 5.026 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)c1 170047109 MGPRRHOCVQIFDY-QHCPKHFHSA-N 447.918 5.912 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCCC)c2)[C@H]1c1cccc(OC)c1 170120980 TWQALKNGACOEIJ-HSZRJFAPSA-N 437.536 5.253 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccc(O)cc2)cc1 170133048 ITRNWWQCTQUINE-VWLOTQADSA-N 439.511 5.362 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccc(C)c2)cc1OC 170140883 HOACBGIASHYSLX-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2cccc(C)c2)c1 170141387 HPLSGYBJXCCWAM-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1ccccn1)c1cccc2ccccc12 170176961 XLARUWGHKAFVFS-QHCPKHFHSA-N 442.421 5.296 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccc(OCC)c1 170218371 WTEHUCDPUUWOFX-HSZRJFAPSA-N 433.504 5.600 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccccc1)c1cc2cc(Cl)ccc2o1 170231571 OOKSBONWZIEYAY-QFIPXVFZSA-N 435.907 5.997 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(C4CCCCC4)[C@H]3c3ccccc3F)oc12 170251746 RYZBLAGZDBYJNA-QFIPXVFZSA-N 449.478 5.492 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccccc2C)cc1 170272436 XPGWDWZAQZSFTQ-AREMUKBSSA-N 437.539 5.965 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccco2)cc1Cl 170288412 DWUDRGYGJYOSPX-HSZRJFAPSA-N 443.886 6.178 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(C)o2)cc1 170298097 ULXWRIXCKLTPDK-OAQYLSRUSA-N 437.517 5.217 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccc(C)o2)cc1 170302120 XQHSVTSRLUDTOI-QHCPKHFHSA-N 431.488 5.386 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@H]1c1ccc(C)o1 170309836 HSPMWROWWSSQSK-HXUWFJFHSA-N 431.916 5.409 30 10 IKEE CCOC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cccc(C)c2)c1 170344024 MLPRVZIIYVMMNZ-OAQYLSRUSA-N 447.512 5.016 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(OCC(C)C)cc2)cc1 170350185 LWPRXTJJFIUSEQ-RUZDIDTESA-N 441.527 5.813 30 10 IKEE C=CCc1ccccc1OCCn1c(CNC(=O)/C=C/c2ccccc2)nc2ccccc21 205709163 UIRMCFRXOPFELK-ISLYRVAYSA-N 437.543 5.173 30 10 IKEE COc1cccc(/C=C2\C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)c1OC 205930493 DMTURCIWRDULJN-ZMIMTQIMSA-N 436.592 5.590 30 10 IKEE C=CCn1cc(/C=C2/SC(=Nc3ccccc3)N(c3ccccc3)C2=O)c2ccccc21 252590556 ATHHIMMRTKFDOV-OFGWUVNBSA-N 435.552 6.636 30 10 IKEE Clc1ccccc1-c1nc2cc(N=C/C=C/c3ccc(Br)cc3)ccc2o1 252623003 OHPYJYQMIULWFR-HELKRTJESA-N 437.724 7.326 30 10 IKEE CCSc1nnc(-c2ccco2)n1N=Cc1ccc(COc2ccc(Cl)c(C)c2)o1 254288075 MACPCAUUYFEANJ-UHFFFAOYSA-N 442.928 5.666 30 10 IKEE Cc1cccc2oc(-c3cccc(N=Cc4cc(Cl)cc(Br)c4O)c3)nc12 254419332 HJPCHVIBVAWJNF-UHFFFAOYSA-N 441.712 6.675 30 10 IKEE FC(F)(F)c1cccc(N=Cc2c(Sc3ccc(Cl)cc3)nc3sccn23)c1 254533335 QYOGQHJBSMLSAT-UHFFFAOYSA-N 437.899 6.970 30 10 IKEE O=S(=O)(c1ccc(N=Cc2cccs2)cc1)c1ccc(N=Cc2cccs2)cc1 254853001 ATGSMFVSXNRYQU-UHFFFAOYSA-N 436.583 6.144 30 10 IKEE N#C[C@@H](CNc1cc(I)ccc1Br)C1CCCCC1 397352060 OQMXNSHXGYTRNO-LBPRGKRZSA-N 433.131 5.186 30 10 IKEE CC1(C)OB(c2ccc(Cl)cc2NC(=O)c2cc(Cl)sc2Cl)OC1(C)C 405006690 SARJIALTYGHJKS-UHFFFAOYSA-N 432.565 5.260 30 10 IKEE CC(C)COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(F)cc2)c1 526490193 ZXRNCHVBHWTDKW-VWLOTQADSA-N 442.490 5.789 30 10 IKEE COc1cccc([C@H]2C(c3cccc4ccccc34)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 526491034 JLJMWVXIAOZQHI-SANMLTNESA-N 432.479 5.777 30 10 IKEE Cc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 526522909 UDSOYJQAVLDRNS-JOCHJYFZSA-N 435.310 6.231 30 10 IKEE CC(=O)Oc1ccc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526606517 LMNXNPLUQJLLKY-HSZRJFAPSA-N 444.874 5.194 30 10 IKEE CCOc1ccc(/C=N\n2c(C)nnc2SCc2ccccc2Cl)c(OCC)c1 526815787 OAIPTBUOSMTQLC-QRVIBDJDSA-N 430.961 5.212 30 10 IKEE CCc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccc(OC(C)(C)C)cc1 526816319 BQACBDVYRUGXFW-OYKKKHCWSA-N 428.989 5.846 30 10 IKEE C[C@H]1CCc2c(sc(NC(=O)C[S@](=O)C(c3ccccc3)c3ccccc3)c2C#N)C1 526893934 PWXKFSWLHOLROC-MYGHRHJXSA-N 448.613 5.221 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 698828590 BDPIOWUMPQQNLC-WZONZLPQSA-N 449.979 5.763 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 699658842 KNTNUUQAGBWCJF-DFBJGRDBSA-N 443.588 5.666 30 10 IKEE Cc1ccc(Br)c(F)c1C(=O)/C=C\c1ccc(NC(=O)OC(C)(C)C)cc1 721188908 DGDIERHLJWBHIJ-WQLSENKSSA-N 434.305 6.140 30 10 IKEE COc1ccc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2ccc(C)cc2)cc1Cl 762440810 UJQDMMMFKNOQAM-UHFFFAOYSA-O 436.944 5.140 30 10 IKEE CCOc1cccc(/C=C2/SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)c1O 1082990354 OJDAQGFZWLUUEA-GQUXDKRHSA-N 444.556 6.216 30 10 IKEE COc1ccc2ccccc2c1C=Nc1ccc2nc(SCc3ccccc3)sc2c1 1084020120 ACBXJOOQWJHTOW-UHFFFAOYSA-N 440.593 7.501 30 10 IKEE CCCCCN(CCCCC)CN1C(=O)C(=Nc2ccc(CCCC)cc2)c2ccccc21 1084093646 QRVZQAGCYOLTNT-UHFFFAOYSA-N 447.667 7.137 30 10 IKEE O=C1/C(=C\C=C\c2ccccc2)S/C(=N/N=C/C=C/c2ccccc2)N1Cc1ccco1 1615304527 CBOKNSSSMLRPNE-GOKZPGEHSA-N 439.540 6.008 30 10 IKEE O=C1/C(=C\C=C\c2ccccc2)S/C(=N/N=C/c2ccccc2F)N1Cc1ccco1 1615304597 MURVIJRDRSWUBC-GRLUEBTESA-N 431.492 5.482 30 10 IKEE Cc1ccc(OC(=O)c2oc3c(c2C)C(=NNc2cccc(C(F)(F)F)c2)CCC3)cc1 1772750490 BSIROFFRGDVWEI-UHFFFAOYSA-N 442.437 6.287 30 10 IKEE N#Cc1cccc(C(=O)NCc2ccc(OC(=O)Nc3c(Cl)cccc3Cl)cc2)c1 1858913051 NZPOSVDTTGMWDN-UHFFFAOYSA-N 440.286 5.406 30 10 IKEE Cc1nc(C(C)C)sc1C(=O)Nc1c(C#N)cnn1-c1cc(C)c2cccc(C)c2n1 1859750082 JAXSVPTXNHUPMA-UHFFFAOYSA-N 430.537 5.050 30 10 IKEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)c1cccc(Oc2ccccc2)c1 1861752943 KPFYRWHAKPRAOZ-UHFFFAOYSA-N 438.612 6.244 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2ccc(C)cc2)cc1C 1862401160 VHWLARAOSPPFSD-RUZDIDTESA-N 441.527 5.399 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1cccc(Cl)c1 1862445111 OQVDBQFUWLLPQH-OAQYLSRUSA-N 438.310 5.772 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCC(C)C)c1 1862465762 VVGQPNQNUPSIRT-FQEVSTJZSA-N 442.353 5.382 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCc2cccs2)cc1 1862474714 SHAAUABGPPGFPO-HSZRJFAPSA-N 431.557 5.440 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCC2=CCCCC2)c1 1862489522 BZKNYZDZKGHXKY-VWLOTQADSA-N 429.560 6.081 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccccc2F)c1 1862489745 FNODCVGRUDWRKX-XMMPIXPASA-N 447.481 5.403 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cc(Cl)cc(Cl)c1 1862498869 SNASICOBBFILLW-VBKZILBWSA-N 432.347 5.987 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862515830 FYMJJFVDRCVQNZ-HJPURHCSSA-N 432.520 5.334 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 1862538690 KEHSNAPGGFAOGK-NRFANRHFSA-N 446.374 6.180 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc2cc[nH]c2c1 1862584248 TXLYURZPEZDBIR-FQEVSTJZSA-N 443.330 5.853 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(C)cc1 1862649291 VEWMZOZMVWJOMB-XMMPIXPASA-N 429.516 5.153 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 1862662106 HNDSEURZKLAQET-AVRWGWEMSA-N 443.518 6.289 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(N(CC)CC)cc1 1862668321 WGJVMZNYRRHBGU-XMMPIXPASA-N 434.580 5.645 30 10 IKEE O=C(C1=C(O)C(=O)N(C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccc(O)cc1)c1ccc(F)cc1 1862673325 CJLWYNUXIFTKOM-TVQFERKRSA-N 447.506 5.078 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)c1 1862674484 YMLSZCHTIQKKPU-HJPURHCSSA-N 431.463 5.174 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2cccc(C)c2)cc1 1862686809 DDCPVGFIFRLSGI-RUZDIDTESA-N 441.527 5.399 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(C)cc1 1862722717 XMDMJEWLLLMISR-UQBPGWFLSA-N 425.528 6.039 30 10 IKEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccccc1Cl 1862725586 MNCRHFGQJGAWJL-HSZRJFAPSA-N 447.918 5.232 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccc(OCC)c1 1862726661 MBVKZZWVONJMCI-VWLOTQADSA-N 439.511 5.517 30 10 IKEE CSc1cccc(NC2=C(c3cc(C)ccc3C)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1863029513 CFGJGGKPZSOFOD-UHFFFAOYSA-N 439.540 5.294 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(C)ccc2OC)=C(c2cc(C)ccc2C)C1=O 1863401173 NNQHIWFSKFKPND-UHFFFAOYSA-N 448.607 6.173 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@H](C)CC)=C(c2ccc(NC(C)=O)cc2)C1=O 1863545659 IHPXIXMSGLDBRR-LJQANCHMSA-N 441.616 5.254 30 10 IKEE CCCC[C@H](NC(=O)[C@@H](c1ccc(OC)cc1)C1CCCC1)C(=O)Nc1ccc(C#N)cc1 1867011735 OWHJWPVIGOUVOQ-LOSJGSFVSA-N 447.579 5.154 30 10 IKEE CCCc1nc(Nc2cccc(C#N)c2)cc(N2C[C@@H](c3ccccc3)Cc3ccccc32)n1 1868378165 HGGZPPIAICQMSU-DEOSSOPVSA-N 445.570 6.522 30 10 IKEE C=CCN(CC=C)c1cc(N2C[C@@H](C)N(c3ccccc3)[C@H](C)C2)nc(-c2ccccc2)n1 1869203579 KWCCNARMQDDOAN-DHIUTWEWSA-N 439.607 5.426 30 10 IKEE Cc1ccccc1-c1ccc(-n2nnc(C#N)c2NC(=O)/C=C/c2ccccc2Cl)cc1 1870140891 PCYVPIRDOHWVPP-NTCAYCPXSA-N 439.906 5.420 30 10 IKEE C=CCn1cc(OCCCOc2ccc(Cl)cc2)c(=O)cc1CSc1ccccc1 1870221109 JMTUCOJDINIKAO-UHFFFAOYSA-N 441.980 5.828 30 10 IKEE CCCCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CN(CCC)CCCC 1870613543 MCPRXEYNHVOQDP-UHFFFAOYSA-N 446.720 7.346 30 10 IKEE CCCCCCCCCCn1cc(OCCCCCC)c(=O)cc1CN1CCC(C)CC1 1870673265 BGGGZGFFGCHCJG-UHFFFAOYSA-N 446.720 7.180 30 10 IKEE C=CCOc1cn(CCCOC(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870813026 SIMNGSJCEGYTPJ-UHFFFAOYSA-N 447.579 5.584 30 10 IKEE CCCCCCCOc1cn(CCc2ccc(C)cc2)c(CNc2ccc(C)cc2)cc1=O 1870836044 MCORJZHOOIBFPH-UHFFFAOYSA-N 446.635 6.669 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(OC)cc2)c(CNc2ccc(C)cc2)cc1=O 1870838656 NTOFMZYCTQZFGM-UHFFFAOYSA-N 448.607 6.175 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(O)cc2)c(CNc2cccc(C)c2)cc1=O 1870839327 ICCOJXDMEMARNM-UHFFFAOYSA-N 434.580 5.872 30 10 IKEE CCCCCCCOc1cn(CCC2=CCCCC2)c(CNc2ccccc2C)cc1=O 1870839367 JSFWRTZTCMMYJB-UHFFFAOYSA-N 436.640 7.009 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(O)cc2)c(CNc2cccc(F)c2)cc1=O 1870839535 OMUCGIYFAVPAFE-UHFFFAOYSA-N 438.543 5.703 30 10 IKEE CCCCCCCCn1cc(OC)c(=O)cc1CNc1ccc(OC(F)(F)F)cc1 1870997012 FTIRRBZFQNYUBH-UHFFFAOYSA-N 426.479 5.728 30 10 IKEE C#CCOc1cn(Cc2ccccc2Cl)c(CNc2ccc(C(F)(F)F)cc2)cc1=O 1871005717 UWGBMYGNKCBPDZ-UHFFFAOYSA-N 446.856 5.193 30 10 IKEE CCCCCCCCn1cc(OCCCCC)c(=O)cc1CNc1ccc(OC)cc1C 1871130496 TTWVHNNFQWRXTM-UHFFFAOYSA-N 442.644 6.707 30 10 IKEE O=C(O)/C=C/c1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871382618 ZJQNTGFLHOMOEN-CDSBARFGSA-N 446.842 5.273 30 10 IKEE Cc1c(OC(=O)c2ccc(OCC(C)C)cc2)ccc2c1O/C(=C\c1ccccn1)C2=O 1871383247 LRDZUCNJNOOAFP-UCQKPKSFSA-N 429.472 5.260 30 10 IKEE CCCCCCCCCOc1cc(C)c2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O 1871429969 WPXZGVHCNFFRAE-UCQKPKSFSA-N 447.402 8.047 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccc(F)c(F)c4)c3C)C2=O)c1 1871443443 QQZLXHZCEZGHIT-JJFYIABZSA-N 435.426 5.215 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccc(C)c(Cl)c4)c3C)C2=O)c1 1871457235 WDCKLGQIRLUUFI-FMCGGJTJSA-N 447.918 5.899 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2F)C3=O)c1C 1871458982 JOIQTMCJHPBUPS-QRVIBDJDSA-N 431.463 5.385 30 10 IKEE CCCCCCCCN=c1nc(N2C[C@H](C)C[C@@H](C)C2)[nH]c(=Nc2ccc(C)c(F)c2)[nH]1 1871579587 BZLPOHDAIBNYTC-RTBURBONSA-N 442.627 5.161 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[C@H](C)CC)S(=O)(=O)CCCC 1871799452 VHYSWQMZRSKISF-BEFAXECRSA-N 449.444 5.355 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Cl)cc1)[C@@H](C)CC)S(=O)(=O)c1cccs1 1871893210 SNUQSZWIXCDEJL-HNAYVOBHSA-N 441.018 5.022 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1CC)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872467391 CZLSBUZYOBGBLE-XMMPIXPASA-N 442.625 5.096 30 10 IKEE COC(=O)c1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3cccc4ccccc34)cs2)cc1 1872775705 YDDKKFSOYCKQTJ-FZNBYNMYSA-N 438.508 5.640 30 10 IKEE COc1c(Cl)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)Cc2ccc(C)c(C)c2)n1 1872778224 GVJHEXJLYJXLLC-QGZVFWFLSA-N 445.371 6.161 30 10 IKEE Cc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1C 1872787409 JBNKXOQUZKNTQK-QGZVFWFLSA-N 431.344 5.989 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)c3ccc4nc(C)c(C)nc4c3)n2)cc1C 1872787598 NIQZSDZOHVHIKU-IBGZPJMESA-N 442.544 5.486 30 10 IKEE C=CCc1ccccc1OCc1cccc(C(=O)Nc2ccc(C(=O)OCCCC)cc2)c1 1872834246 RYAJXXRLNOKFKM-UHFFFAOYSA-N 443.543 6.203 30 10 IKEE Cc1ccc(NC(=O)c2ccc(CSc3nc(C)c(C)c(C)c3C#N)cc2)cc1Cl 1872895281 MCFSPZSNBQRXJA-UHFFFAOYSA-N 435.980 6.385 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/N=c2ccc3nnc(C)n3[nH]2)c(Cl)c1 1873792935 UXMDERLVTLUVIT-LFVJCYFKSA-N 428.968 5.083 30 10 IKEE COc1ccc(OCc2nnc(SC)n2/N=C/c2sccc2C)c(C(C)(C)C)c1 1874194577 WTSDXVPQKGJGMQ-WSDLNYQXSA-N 430.599 5.137 30 10 IKEE CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1ccc(OC)cc1 1874202766 SOHNMGKBLPQDAJ-MFKUBSTISA-N 438.597 5.466 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1cccc(OC)c1 1874230715 YIDDXDDKKNKWTD-WYMPLXKRSA-N 442.972 5.378 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3Cl)n2/N=C/c2ccncc2)cc1 1874349587 UDNNSSLLFIRMTA-CVKSISIWSA-N 449.967 5.100 30 10 IKEE COc1ccccc1/C=N/n1c(CCc2cccs2)nnc1SCc1ccccc1C 1874368766 RKCXZXSGWMZPTH-PCLIKHOPSA-N 448.617 5.616 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1ccc(F)cc1 1874379503 WENBXYVEIBSAIF-JFLMPSFJSA-N 434.515 5.630 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccncc1 1874400989 FPCWTFMUJPJVEB-CIRUFVMISA-N 433.968 5.653 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(Cc2ccccc2)n1/N=C/c1ccco1 1874420031 RBFBQSRKQZCCEG-ZMOGYAJESA-N 426.904 5.429 30 10 IKEE Clc1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2cccc(Cl)c2)cc1 1874424277 CRUCNYHTUDRTNU-FSJBWODESA-N 445.400 6.488 30 10 IKEE COc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2-c2ccccc2)c(OC)c1 1874428292 BPIBHCOIVSPTGJ-NLRVBDNBSA-N 444.560 5.179 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(CC(C)(C)C)n2/N=C/c2ccccc2)c1C 1874436872 TZTIHRHYPKQLQE-MFKUBSTISA-N 435.597 5.097 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2cccc(F)c2)nnc1[C@H]1CCCO1 1874447815 MPSWSECMHFSSRU-JAMLUQCHSA-N 438.528 5.008 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874485245 LAWVSOZYXYXHGI-WSDLNYQXSA-N 429.933 5.312 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(C2CCC2)n1/N=C/c1cccc(Cl)c1 1874499569 UCKTYYUIYMQIBS-BHGWPJFGSA-N 435.355 6.166 30 10 IKEE CCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(N(CC)CC)cc1 1874528026 PGSLCKQIZJNBQI-BUVRLJJBSA-N 428.005 5.515 30 10 IKEE Cc1ccc(COc2ccc(/C=N/n3cnnc3SCc3ccc(F)cc3)cc2)cc1 1874536091 LWKAAHRGCHSHIN-MZJWZYIUSA-N 432.524 5.479 30 10 IKEE CCCCCOc1ccc(/C=N/n2cnnc2SCc2cc(C)ccc2C)cc1OC 1874538359 ARQQWFRSJPOIRS-CVKSISIWSA-N 438.597 5.647 30 10 IKEE O=C(/C=C/c1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc12)c1ccccc1 1874578620 YBWYCNMLMKEMMP-WYMLVPIESA-N 433.334 7.622 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(F)c(C)c2)c1OCc1cccc2ccccc12 1874581588 VGUWWHXHSSPOBB-JQIJEIRASA-N 426.487 6.771 30 10 IKEE CCCOc1c(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc(Br)cc1OC 1874586513 QOIPCXQMSCHGKJ-VQHVLOKHSA-N 433.342 5.768 30 10 IKEE CCCN(CCC)C(=O)COc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OC 1874595213 ZOCFFZGQIOZPLN-ZRDIBKRKSA-N 429.944 5.272 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3CC)cc2)cc1 1874616688 NYPZVOXPMIHIRA-WOJGMQOQSA-N 443.543 5.951 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OCC(=O)Nc1ccccc1F 1874627337 KJHJMKMRDONGLF-UXBLZVDNSA-N 441.405 5.026 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OCC(=O)N(CC)CC 1874632986 GEIRWBOUYWMLMX-WYMLVPIESA-N 435.564 5.184 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OCc1ccccc1F 1874633949 CXIVFHXJPNBJEK-MDZDMXLPSA-N 438.926 6.888 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(/C=C/C(=O)c3c(C)cc(C)cc3C)cc2Cl)c1 1874634271 TYGLOLNDZDJQIL-CSKARUKUSA-N 447.962 6.487 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1OC(=O)c1cnccn1 1874692898 CKLYXFMRQPXIEA-NTUHNPAUSA-N 436.467 5.268 30 10 IKEE Cc1ccccc1CCC(=O)Oc1cccc(/C=C/C(=O)c2cccc(Br)c2)c1 1874698057 JJSAJOWXHUOHCL-WYMLVPIESA-N 449.344 6.192 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C(C)C)cc3)c2)cc1 1874709531 GDYSMZPQHQMGMX-WOJGMQOQSA-N 442.555 6.779 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3cccs3)c2)c2ccccc12 1874718179 CSGMMXNFOLGXQX-ACCUITESSA-N 428.509 5.954 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)CCCSC)c(OC)c2)cc1 1875100204 SWPPAKKBTYKFLA-JLHYYAGUSA-N 428.550 5.211 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)C3CCC3)c(Br)c2)cc1 1875107022 WFPLPWSMWUDIDL-GXDHUFHOSA-N 441.365 6.393 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC(=O)c1cccs1 1875116149 NPDRAWQVWWNORW-KPKJPENVSA-N 449.484 5.509 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1)c1cccc(Br)c1 1875120120 CKFGYLQZBJJVHJ-IZZDOVSWSA-N 443.243 5.843 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3C)c([N+](=O)[O-])c2)cc1 1875130517 TXHAODJEBNQOLS-RIYZIHGNSA-N 431.444 5.417 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccncc2)c(Cl)c1)c1ccc(Cl)c(Cl)c1 1875135419 PFLVXPQRMWUDRO-ORCRQEGFSA-N 432.690 6.157 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3OC)cc2)cc1 1875136176 AXDYBRLRHPGNIL-LICLKQGHSA-N 430.500 5.528 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3sccc3C)c(Cl)c2)cc1F 1875152823 KLTKZXADHICWRS-ZZXKWVIFSA-N 430.884 5.973 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)Cc1cccs1 1875156857 MIJVXPWVCSWWQB-NTUHNPAUSA-N 434.557 6.314 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)c1cccs1 1875159988 UVRQRJGKMYLDPT-BJMVGYQFSA-N 430.884 6.055 30 10 IKEE COCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc1OC 1875161638 ZTVNABXRQYVCGU-VQHVLOKHSA-N 446.927 5.103 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)c(C)c3)cc2)cc1C(C)C 1875163389 IUTGAGGMCHDNOQ-GXDHUFHOSA-N 442.555 6.859 30 10 IKEE C=C(COCCC)C(=O)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875687031 OFAUSOWRZLWQFT-MUUNZHRXSA-N 446.543 5.430 30 10 IKEE COc1cc([C@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)ccc1Br 1876908149 VNDOKFCBFBQPHQ-INIZCTEOSA-N 437.359 5.521 30 10 IKEE COc1ccc(NC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)cc1C#N 1892389961 KDRGSMZRALHINZ-UHFFFAOYSA-N 428.488 5.112 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CCC1CCN(C(=O)OC(C)(C)C)CC1)NCCC 1922065200 LBVPISDTSDUDRL-XMMPIXPASA-N 430.633 5.555 30 10 IKEE CC(C)[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)CN1Cc1ccccc1 1942593629 MLJZASNFEWNDIH-ZEQKJWHPSA-N 425.617 5.749 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)C1 1993190198 KZZFZVQSRIRTLI-AEFFLSMTSA-N 435.590 5.024 30 10 IKEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 1999926495 KTCIJTBWYICQRK-KOSHJBKYSA-N 435.609 5.486 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@@H](C#N)[C@]1(C)CCCN1C(=O)OC(C)(C)C 2020805000 VYRZHPYDGYDGPY-MBSDFSHPSA-N 433.524 5.249 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)C2(C#N)CCC(C)(NC(=O)OC(C)(C)C)CC2)cc1 2027793323 LQDNAXUITOKKRB-UHFFFAOYSA-N 443.588 5.856 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)C1(C#N)C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2033845308 DQIQVWWFJDWSDL-CPLAMXDQSA-N 435.543 5.657 30 10 IKEE CCCCCCCCCC[C@H](NCC)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2034427434 XRKYYBDOVJYODY-DQEYMECFSA-N 448.692 6.605 30 10 IKEE CCCCCCCC[C@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 2035471794 XAJIHPUCKHOCHR-JWQCQUIFSA-N 448.692 6.605 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@]2(CC[C@@]2(C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)C1 2066138317 JMWLWRYAEGUPIK-RPBOFIJWSA-N 447.620 5.630 30 10 IKEE N#C[C@@]1([C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCCOC1 2071353040 CZHFZSGBIIALHM-SXOMAYOGSA-N 429.516 5.198 30 10 IKEE Cc1ccc([C@@H](C(C)C)n2nc(C(C)(C)C)c(C#N)c2I)cc1C 2078987103 WSORVIQUQRUJQX-QGZVFWFLSA-N 435.353 5.519 30 10 IKEE COc1ccc([C@H](C(C)C)n2nc(C(F)(F)F)c(C=NO)c2Br)c(C)c1 2079937535 VRDIIGFOKUXYBW-AWEZNQCLSA-N 434.256 5.035 30 10 IKEE CCc1nn([C@@H](c2ccc(C(F)(F)F)c(F)c2)C2CC2)c(Br)c1C=NO 2079969408 CJMWPGFTMNTQIR-OAHLLOKOSA-N 434.231 5.173 30 10 IKEE COc1ccc([C@@H](C2CCC2)n2nc(C(F)(F)F)c(C#N)c2Br)c(F)c1 2080072175 PDKYTYDPFKXHLV-CQSZACIVSA-N 432.215 5.073 30 10 IKEE CCCOc1ccc([C@@H](n2nc(C)c(C#N)c2I)C(C)(C)C)cc1 2080117409 DLCCPYPRURWNEN-QGZVFWFLSA-N 437.325 5.092 30 10 IKEE Nc1c2c(nc3c(-c4cc(F)cc(C(F)(F)F)c4)c(C(F)(F)F)nn13)CCCCC2 2081506904 NQNBKDZCNIEAIU-UHFFFAOYSA-N 432.343 5.424 30 10 IKEE C=CCCCC[C@H](NCCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2123085110 NJRAULGSACXDRX-IBGZPJMESA-N 425.411 6.583 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1cccc(Cl)c1Br 2124449827 RRWUJLYNDMVYAK-AWEZNQCLSA-N 444.757 5.018 30 10 IKEE CC(C)C[C@H]1CNCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2149843186 NXVURISCCJYDSG-KKSFZXQISA-N 436.394 5.109 30 10 IKEE CN[C@H](CC#CC1CCCCC1)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2149851005 RGFOMVHGJXCFQE-LJQANCHMSA-N 435.406 6.030 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCNC2(CCCC2)C1 2194578362 FBDUOSRDDNMVFQ-NRFANRHFSA-N 434.378 5.149 30 10 IKEE CN(c1ccc(C#N)cc1Br)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1 2197457558 DAGWGNODQWHINP-LJQANCHMSA-N 430.346 5.023 30 10 IKEE CCCCCC#CC[C@H](NCC)c1cc(I)ccc1Br 2203807009 JNQGWNOJVICZLW-KRWDZBQOSA-N 448.186 5.678 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cccc(OC)c1Br 2207351889 PEVCTZAPBCSGSN-QFBILLFUSA-N 441.410 5.358 30 10 IKEE CCN[C@@H](C#CC1CCCCC1)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2251406264 BIFPRVBFBZMIRW-BJKOFHAPSA-N 428.617 5.048 30 10 IKEE O=C(C#CC1CCCC1)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2274048231 FSVCODALFVLTCA-GDLZYMKVSA-N 440.539 5.641 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)c1sc(CC)cc1Br 2275138110 UTLCLNYGUZITHA-LJQANCHMSA-N 439.371 5.378 30 10 IKEE CC1(C)OB(c2cccnc2Nc2cc(Cl)c(Br)cc2Cl)OC1(C)C 2277986884 ZGQQAZVDTAKAFO-UHFFFAOYSA-N 443.965 5.194 30 10 IKEE CC(C)(C)OC(=O)NC1C[C@@H]2CCC[C@H](C1)C2Nc1ccc(C#N)cc1Br 2285777604 OKVMXMJLNGSBPL-JOUKPKRSSA-N 434.378 5.205 30 10 IKEE O=C1NC(=Nc2ccc(F)cc2)SC1=Cc1ccc(-c2ccc(Br)cc2)o1 2293998826 GQUOAFODXSIJIZ-UHFFFAOYSA-N 443.297 5.740 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4ccccc4Br)ccc3C2=O)o1 2296867573 YFRWDWMWGHSDOD-UHFFFAOYSA-N 425.234 5.186 30 10 IKEE CCOc1cc(C=C2SC(=Nc3ccc(Cl)c(C(F)(F)F)c3)NC2=O)ccc1O 2296883022 JRROZVREZHGKHW-UHFFFAOYSA-N 442.846 5.355 30 10 IKEE C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC(=Cc1ccc(OC(F)(F)F)cc1)C2=O 2297101943 GAKVNINHIOJQFK-QENXHYHDSA-N 442.477 6.410 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2308984415 KLQLDNPXNFYFJA-QHQBPXOVSA-N 445.535 5.153 30 10 IKEE C=CCOC(=O)C=Cc1ccc(OCc2ccc(F)cc2Cl)c(Br)c1 2314014293 OAFJBVATJUNPSZ-UHFFFAOYSA-N 425.681 5.563 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3cc(OCc4c(F)cccc4Cl)ccc3C2=O)cc1 2314437254 HGMFQARJIURKCG-UHFFFAOYSA-N 436.910 6.972 30 10 IKEE Cc1ccccc1C=C1SC(=NN=Cc2ccc(Cl)cc2)N(Cc2ccco2)C1=O 2314819310 XWSIPQHPGJUCKC-UHFFFAOYSA-N 435.936 5.748 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C)n2N=Cc2c(Cl)cccc2Cl)cc1C 2321086133 CIMBECBYKQHFMJ-UHFFFAOYSA-N 448.379 5.123 30 10 IKEE C[C@@H]1CCCC[C@H]1N1COc2ccc3c(c2C1)OC(=Cc1ccccc1OC(F)F)C3=O 2322146155 JPBYBADBXKZIGJ-DNVCBOLYSA-N 441.474 5.635 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccccc2)c1OCC(=O)Nc1ccc(C)c(C)c1 2322545841 OIWYNJJBWJHABE-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCCO)cc1 2322760091 UXRIEKWGXUGKBX-UHFFFAOYSA-N 446.971 5.965 30 10 IKEE O=C(C=Cc1cccc(OCc2c(F)cccc2Cl)c1)c1ccc(Br)cc1 2323081483 ACPQKPDNECTVMQ-UHFFFAOYSA-N 445.715 6.717 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3cc(C)ccc3C)c2)c(C)c1C 2323248387 LTLFLVVHHOCJJM-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCc3cccc(Cl)c3)c2)c(OC)c1OC 2323341357 RYURZJZHSZXUAR-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OCc3cccc(F)c3)c(Br)c2)c1 2323489868 YKLFVAAPGGQWDF-UHFFFAOYSA-N 441.296 6.072 30 10 IKEE Cc1cc(OC(=O)c2ccc3nc(C)c(C)nc3c2)cc2c1C(=O)C(=Cc1cccs1)O2 2323556996 OSXQUJDUJHASPY-UHFFFAOYSA-N 442.496 5.452 30 10 IKEE Cc1cc(OC(=O)CCOc2ccccc2)cc2c1C(=O)C(=Cc1cccc(Cl)c1)O2 2323680813 RBUMGRRHTSUANZ-UHFFFAOYSA-N 434.875 5.639 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OC(=O)c4cccc(OC(C)C)c4)c3C)C2=O)cc1 2323808825 DQMARHKVOOKWCS-UHFFFAOYSA-N 444.483 5.626 30 10 IKEE CCN(CC)C(=O)COc1c(Cl)cc(C=CC(=O)c2ccc(C)cc2C)cc1OC 2323852220 STTSKONJFGNEHH-UHFFFAOYSA-N 429.944 5.109 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OCC(=O)OCC(C)C 2323959988 QBZCDAYQLFCJTG-UHFFFAOYSA-N 436.548 5.515 30 10 IKEE Cc1cc(O)c(CN2CCCC[C@H]2C)c2c1C(=O)C(=Cc1cccc(Br)c1)O2 2324010267 RUDILPIDHVNUCT-OAHLLOKOSA-N 442.353 5.454 30 10 IKEE C=C(C)COc1c(OCC)cc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] 2324665404 LOVGPZAUXQNUPA-UHFFFAOYSA-N 436.291 6.151 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(F)cc3)n2)c1 2324736311 PEYDNMVTNHPLJA-HXUWFJFHSA-N 436.508 5.636 30 10 IKEE N#C[C@@H](C(=O)C=Cc1cccc([N+](=O)[O-])c1)c1nc(-c2cc(Cl)ccc2Cl)cs1 2324834577 XLWMHLPTKROCGB-INIZCTEOSA-N 444.299 5.915 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)COCc3ccccc3)c2)cc1 2325704908 UYLKEWVMRKJGSS-UHFFFAOYSA-N 430.500 5.276 30 10 IKEE CCc1cccc(CC)c1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccccc1)C2=O 2325718887 LUCYUPCUDLMVIO-UHFFFAOYSA-N 441.527 5.754 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2OC)cc1OC(=O)COc1ccc(C)c(C)c1 2325723049 WJXIBLSUFWGEAF-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc(OCC(=O)Nc3cccc(C)c3C)c2C)C1=O 2325738091 HTHRCJNARVZQQQ-UHFFFAOYSA-N 443.499 5.254 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OC(=O)c1cccc2ccccc12 2325741237 FQZKDRYTFMKBIA-UHFFFAOYSA-N 440.470 6.411 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cc(Br)c(O)c(Br)c2)cc1C 2325797457 CHHLCSXHWHSDOA-UHFFFAOYSA-N 440.131 5.439 30 10 IKEE CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1cc(C)ccc1O 2325904268 JHMURIQEANEEBF-UHFFFAOYSA-N 438.597 5.471 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1ccc(OC)c(O)c1Cl 2326442753 CPTGBLLQFDTSNN-UHFFFAOYSA-N 444.988 5.390 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OC)c(OC)c2)n1N=Cc1ccc(Cl)cc1 2326750031 WXJNVYOYLCQGRS-UHFFFAOYSA-N 442.972 5.090 30 10 IKEE CCCSc1nnc(COc2ccccc2OCC)n1N=Cc1cccc2ccccc12 2326848602 SDOYVQLMSMWCMU-UHFFFAOYSA-N 446.576 5.793 30 10 IKEE C=C(C)CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1c[nH]c2ccccc12 2326908636 VPJYGQDGEFDYRA-UHFFFAOYSA-N 445.636 6.069 30 10 IKEE Cc1ccc(C=Nn2c(COCc3ccccc3)nnc2SCc2ccccc2C)cc1 2329312384 SAOIZCUKYAHPIT-UHFFFAOYSA-N 442.588 5.786 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(N(CC)CC)cc1 2329566861 QIBRZIHJEDIDBY-UHFFFAOYSA-N 440.016 5.995 30 10 IKEE Clc1ccccc1CSc1nnc(-c2ccccc2Cl)n1N=Cc1cccnc1 2329587133 JSPMJSRBQSKDBW-UHFFFAOYSA-N 440.359 5.821 30 10 IKEE C=CCSc1nnc(Cc2ccc(C)cc2)n1N=Cc1cccc(Br)c1 2330009922 VLGVVXDYXXXKEY-UHFFFAOYSA-N 427.371 5.100 30 10 IKEE Clc1ccc(CSc2nnc(Cc3cccs3)n2N=Cc2ccc[nH]2)cc1Cl 2330434362 PMMWNEVSPUSAAT-UHFFFAOYSA-N 448.404 5.740 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3cccc(OC)c3)cc2)cc1 2330777097 RHXUYDIYWCNEQG-UHFFFAOYSA-N 444.527 5.918 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)c(C)c3)c([N+](=O)[O-])c2)c1 2330785928 VCOOGAWKOWRLCK-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)cc(Cl)c1OC(=O)c1ccccn1 2331069696 ONHQBJHXJFVVBB-UHFFFAOYSA-N 437.879 5.258 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1)c1ccc(F)cc1F 2331084438 ZPBGWZNMYNKKJM-UHFFFAOYSA-N 448.421 5.227 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)cc([N+](=O)[O-])c1OC(=O)c1ccco1 2331129541 BFVBMTNEMPKEMC-UHFFFAOYSA-N 441.823 5.355 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OC(=O)c1cccc2ccccc12 2331159310 HMBAXZWMHGKELU-UHFFFAOYSA-N 442.898 6.617 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccco3)n2N=Cc2ccccc2OC(C)C)cc1 2331165949 VPHOLZWOAPHAKL-UHFFFAOYSA-N 432.549 5.808 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2Cl)c1 2331167681 ILQJLBXUECYJTR-UHFFFAOYSA-N 434.919 6.309 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)Cc1cccc2ccccc12 2331177947 ZYIZCJZYZFCVBD-UHFFFAOYSA-N 436.507 6.283 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CC3CCCCC3)c(Cl)c2)cc1 2331194984 DZLUUUCARBHNRW-UHFFFAOYSA-N 426.940 6.511 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OCC)cc2)cc1Cl 2331195507 GUPPLHYBUQWCKW-UHFFFAOYSA-N 442.983 7.291 30 10 IKEE Clc1ccccc1C=Nn1c(SCc2ccccc2Cl)nnc1-c1ccco1 2331211277 BAIHZTWNBQQBBZ-UHFFFAOYSA-N 429.332 6.019 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2-c2ccco2)c1 2331225461 VRIKVLTXPWDHJF-UHFFFAOYSA-N 438.940 5.765 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3)cc2OCC)cc1 2331281844 YGOJJSFYAMOWEW-UHFFFAOYSA-N 430.500 5.908 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(C)c3)cc2[N+](=O)[O-])cc1 2331339108 HFXNNGGDZOHGPR-UHFFFAOYSA-N 435.407 5.166 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)cc3)c([N+](=O)[O-])c2)ccc1F 2331339312 XTMFHNHYEFHQCV-UHFFFAOYSA-N 437.398 5.226 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OC(=O)CC(C)(C)C 2331431976 IXGOBWLLQXVFIB-UHFFFAOYSA-N 430.884 5.315 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2Cl)cc1 2331493184 GIIJKCHNCQBISR-UHFFFAOYSA-N 432.947 6.816 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)C(C)C)c(Cl)c1 2331636724 QITBJJGHGVRUBM-UHFFFAOYSA-N 427.711 6.113 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccccc3[N+](=O)[O-])c(Cl)c2)c(C)c1 2331768819 DVAJVVBYIZKYRL-UHFFFAOYSA-N 449.890 6.289 30 10 IKEE COC(=O)c1nc(-c2ccc(C)cc2)oc1NN=Cc1ccc(OCc2ccccc2)cc1 2331937754 WOZQUDUEBGSYFK-UHFFFAOYSA-N 441.487 5.462 30 10 IKEE C=CCN(CC[C@H](NCC)c1cc(Cl)cc(Br)c1F)C(=O)OC(C)(C)C 2337097639 KBPJFBREZQYBFT-INIZCTEOSA-N 449.792 5.705 30 10 IKEE CN(c1cc(Br)c(C#N)cc1F)[C@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]12 2357061907 PSDUOWBDMZVXHO-DBSRCYSRSA-N 429.333 5.280 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)cc(OC2CC2)c1 2362733398 WYNFEIMYIKHYFA-RTBURBONSA-N 439.394 5.110 30 10 IKEE CC1(C)CN(Cc2ccccc2)CCN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2365103719 NUJMSXMHRVGKTK-CCEZHUSRSA-N 447.432 5.075 30 10 IKEE C#CCN1CCC2=C(C1)c1c(O)cc([C@@H](C)CCCc3ccc(F)cc3)cc1OC2(C)C 13455612 UIDOJGIFVOOMLY-IBGZPJMESA-N 433.567 5.921 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2OCCC)cc1 21221461 QRQBIKCETMBWES-DENIHFKCSA-N 433.548 5.269 30 10 IKEE C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)nnc1-c1ccco1 29549233 ZPEBXAZSLNETGF-LBPRGKRZSA-N 437.352 5.000 30 10 IKEE O=C1NC(=N/c2ccccc2)/C(=C/c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)S1 33567793 WUMCHTNVJANWNY-WQRHYEAKSA-N 448.853 7.146 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)/C=C\c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 33888781 BYVTVBKHZVAONA-ZEZIIQNPSA-N 429.903 5.831 30 10 IKEE O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccco2)Oc2ccc(Br)cc21 39842487 UBMTYRMJLFKGQP-JAIQZWGSSA-N 433.261 5.511 30 10 IKEE CCOc1cc(/C=C2\S/C(=N/c3nccs3)N(C3CCCCC3)C2=O)ccc1O 39865107 WLMBNVKMZNHPSR-ZIARRYFKSA-N 429.567 5.184 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)c(C)c2)[C@@H]1c1ccc(CC)cc1 40091751 OENQNNZUJITIGY-DEOSSOPVSA-N 435.564 5.725 30 10 IKEE Cc1sc(NC(=O)[C@H](C)Sc2nnc3cc(C)c4cccc(C)c4n23)c(C#N)c1C 40170457 DDDOSOTZLDSWGY-HNNXBMFYSA-N 435.578 5.169 30 10 IKEE Cc1cccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccc3c(c2)OCO3)C4)c1 41647699 PHPBTOHCUGDAKG-VROXFSQNSA-N 441.483 5.000 30 10 IKEE C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3cccc(OCC)c3OCCC)c12 96925860 FVQFRCHFCGKOII-NXVVXOECSA-N 443.547 5.867 30 10 IKEE Cc1ccc(-c2cc3ccccc3o/c2=N/N=C2/SCC(=O)N2c2ccccc2)cc1 101300994 AWODPHIYTIHPHG-OWUYFMIJSA-N 425.513 5.360 30 10 IKEE CCCCCCCOc1ccc(C(=O)N(Cc2ccc(Cl)cc2)C[C@H]2CCCO2)cc1 101353370 HUNOHEASPFSJFX-RUZDIDTESA-N 444.015 6.511 30 10 IKEE CCCCCCCCCCn1c([C@@H](C)NC(=O)COc2ccccc2)nc2ccccc21 102128202 PAVOPEWBTNMKEK-JOCHJYFZSA-N 435.612 6.433 30 10 IKEE CCCCCCCCCCCCn1c(CCCNC(=O)c2ccccc2)nc2ccccc21 102148817 LEEYVSBBLMLCGO-UHFFFAOYSA-N 447.667 7.320 30 10 IKEE COc1cc(/C=C2\Oc3cc(OC/C=C\c4ccccc4)ccc3C2=O)cc(OC)c1OC 103023454 ZTGBLCKWTGTTRV-ZRQUPRKLSA-N 444.483 5.421 30 10 IKEE CN(C)c1ccc(/C=C2\S/C(=N/Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1 103897576 SCZDWWWCUJAVTH-LTUYXDACSA-N 427.573 5.425 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ncc(-c4ccc(F)cc4)o3)n2)cc1 108978080 ZIYJRPHCMNKBCM-IBGZPJMESA-N 447.491 5.422 30 10 IKEE COc1cc(/C=N/Nc2ccc(Cl)cc2)cc([N+](=O)[O-])c1OCc1cc(C)ccc1C 169878802 BSKXVHKLEFMGPW-DHRITJCHSA-N 439.899 5.899 30 10 IKEE COc1cc(/C=N/Nc2ccc(C)c(Cl)c2)ccc1OCc1ccc(C(C)(C)C)cc1 169879419 LFLXQKJZNORDTK-LQKURTRISA-N 436.983 6.980 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(F)c(C)c2)=C(O)C(=O)N1c1ccc(C)c(C)c1 169943229 ONQNCAVHMDSYLA-XMMPIXPASA-N 445.490 5.542 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2cccc(C)c2)cc1C 169971391 AQYVRVCFXPSZKD-QHCPKHFHSA-N 449.453 5.373 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2ccc(C)cc2)c1 170036922 VXEULRHKZGURSN-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2ccco2)c1 170089649 MDRXTMMSLMSSQV-QHCPKHFHSA-N 431.488 5.468 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCc2ccc(F)cc2)o1 170102854 CNRFCWCTOQMCBB-HSZRJFAPSA-N 445.446 5.294 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(OC(C)C)c1 170153091 XRNCUQOKQSWQQL-OAQYLSRUSA-N 427.928 5.506 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2cccs2)cc1 170157737 FQCUKFGFYPNCGH-JOCHJYFZSA-N 449.528 5.328 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccs2)ccc1Cl 170159044 WMTDNOLCLBZYPW-LJQANCHMSA-N 425.893 5.193 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2)c1 170231373 CDQUESNVJICHEF-JOCHJYFZSA-N 439.939 5.650 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2C2CCCC2)cc1 170246177 XEBHUFUXTXSGMT-XMMPIXPASA-N 429.516 6.077 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1F 170249190 OYHSHOPZUUCJDJ-XMMPIXPASA-N 443.518 6.215 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1Cc1ccccn1 170274429 KGNDGSQBDPXGFA-VWLOTQADSA-N 434.495 5.322 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)[C@H]2c2ccco2)cc1 170284777 WUDRPNGYGFSUHH-OAQYLSRUSA-N 449.846 5.471 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccco2)cc1C 170285088 FEGCMJSFYSHZAA-XMMPIXPASA-N 445.515 5.777 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccco1)c1ccc2c(c1)CCCC2 170286574 HIKSUGQJNKSTDQ-JOCHJYFZSA-N 433.891 5.595 30 10 IKEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(Cl)c4)[C@@H]3c3ccco3)ccc2O1 170287068 ZCEMTKLITSPMNT-LRTDBIEQSA-N 435.863 5.039 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(C)o2)c1 170302686 OYQMHUHJEWPCID-OAQYLSRUSA-N 437.879 5.423 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccco2)=C(O)C(=O)N1c1ccc(C(F)(F)F)cc1 170399685 QBJQGDYGVKJHRG-IBGZPJMESA-N 427.378 5.390 30 10 IKEE COC(=O)c1ccc(/C=C/C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1 170494001 WFBBOCJRVWWDGO-SAPNQHFASA-N 448.478 5.924 30 10 IKEE Cc1cc(-n2ncc(C#N)c2Nc2nc3ccc(Cl)cc3s2)nc2c(C)cccc12 170547568 LJRKFCQAEKFJQF-UHFFFAOYSA-N 430.924 5.916 30 10 IKEE CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)SC1=Nc1cccc2ncccc12 254626003 ANCCVHAQGMXIID-APPJTMTASA-N 446.601 6.009 30 10 IKEE C=CCn1c(-c2ccc(C)cc2)c(NC(=O)c2ccccc2)sc1=Nc1ccccc1F 254722215 NYERKWMLQMHCRD-UHFFFAOYSA-N 443.547 6.335 30 10 IKEE COc1cc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccco2)ccc1OCC(C)C 526491183 LZARQLVPPUTCSN-XMMPIXPASA-N 444.487 5.252 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccccc2OC)c1 526607117 RIKJAGSVFRGPOM-XMMPIXPASA-N 426.472 5.023 30 10 IKEE Cc1ccc(SC2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 526661579 QOZKWJZUWJLPEQ-UHFFFAOYSA-N 445.931 5.509 30 10 IKEE Cc1cccc(CSc2nncn2/N=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1 526808009 HIGVKWFLYQTJNA-VYYCAZPPSA-N 436.625 6.062 30 10 IKEE Clc1ccccc1CSc1nnc(CCc2ccccc2)n1/N=C\c1cccs1 526817344 STYLMGADVWQHTL-IWIPYMOSSA-N 439.009 5.953 30 10 IKEE CCOc1cccc(/C=N\n2c(C)nnc2SCc2ccc(Cl)cc2Cl)c1O 526823093 DYOVYKMPSTWTJT-YVNNLAQVSA-N 437.352 5.172 30 10 IKEE O=C(NCC#CCOc1ccccc1Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 585254377 BYZHTUQMLZNJRH-UHFFFAOYSA-N 435.751 5.190 30 10 IKEE CC[C@H](C)c1cc(B2OC(C)(C)C(C)(C)O2)cc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 607718042 UVLSOCHWRZSFSV-ZWKOTPCHSA-N 444.425 5.009 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]2[C@H]1C(C)(C)[C@@H]2Nc1cc(Br)ccc1C#N 693668950 SOBMMMOVEVYXGI-NXHRZFHOSA-N 434.378 5.157 30 10 IKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(OC)c(OC)cc1Br 698463048 DIORRDCRKWERDL-DOMZBBRYSA-N 427.339 5.067 30 10 IKEE COc1ccccc1CN/C(=N/Cc1cccc2ccccc12)Nc1cc(F)ccc1O 1088664536 DJRVTBIVFBBVDQ-UHFFFAOYSA-N 429.495 5.451 30 10 IKEE C=C1CC[C@@H]2[C@@](C)(CCC[C@@]2(C)C(=O)OC)[C@@H]1CCc1ccoc1CN1CCCCC1 1565535483 FSLAVQGJZYEXIY-STAKNXPZSA-N 427.629 6.150 30 10 IKEE CCOc1ccc(/C=C2/SC(=Nc3ccncc3Cl)N(c3ccccc3)C2=O)cc1 1772737204 NYEBAAZDDGJJNN-OMYHDSEFSA-N 435.936 5.942 30 10 IKEE CCCCCCCCn1cc(CN2CCC3(CC2)OCCCO3)c2ccc(OC)cc21 1857628906 FGQHZAAOPQRPOT-UHFFFAOYSA-N 428.617 5.739 30 10 IKEE N#Cc1cccc(NC(=O)Oc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)c1 1858905514 CAHGFEBXBGONJR-UHFFFAOYSA-N 439.393 5.118 30 10 IKEE COc1ccc(-c2csc(-c3ccc(CNc4nccc(C)c4C#N)cc3)n2)cc1OC 1859807764 FDOBCWSYCDMFER-UHFFFAOYSA-N 442.544 5.682 30 10 IKEE CC(C)Oc1cccc(/C=C/C(=O)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)c1 1860729657 MXALAWIMSNRBLN-OVCLIPMQSA-N 449.934 5.927 30 10 IKEE COc1cccc(-c2csc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n2)c1 1860804653 WANDHMNLHNEQEW-UHFFFAOYSA-N 441.603 5.361 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)c1ccccc1Br 1861021431 VMPCZSPGPSBDKK-IBGZPJMESA-N 425.411 5.214 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)COc1ccc(Cl)c(C)c1 1861642250 AOBJWLXTHTTYKN-JOCHJYFZSA-N 437.024 5.275 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@H]2c2ccccc2C)cc1 1862389227 AVEFLJCHQSNBPX-VWLOTQADSA-N 448.607 5.258 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@H]2c2ccc3c(c2)CCCN3C)cc1 1862395524 ZKQYBZCTAXGEFM-DEOSSOPVSA-N 432.564 5.010 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1cccc(F)c1)c1ccccc1Cl 1862430318 ICNDFMCNFHWIQL-JOCHJYFZSA-N 435.882 5.300 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1F 1862443972 VCDMHFMUHZMDOI-AVRDEDQJSA-N 443.946 6.416 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)c1 1862444560 AWJZQJPLIVIXQC-GJULWVSJSA-N 439.939 5.506 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862481071 WHSGZEPQLVWWMR-QHCPKHFHSA-N 446.503 5.372 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1c(Cl)cccc1Cl 1862481569 GNDDCQRVRHTHFN-OAQYLSRUSA-N 446.374 6.460 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2cccc3ccccc23)c1 1862494944 ROYGEJGXCUIHLZ-HHHXNRCGSA-N 447.534 6.235 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(Cl)c(Cl)c1 1862498105 ACLOUDUVMANXTC-OAQYLSRUSA-N 446.374 6.379 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 1862521819 QZAAUMCXNVCFDT-LJQANCHMSA-N 434.319 5.380 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2cccc(C)c2)cc1 1862533355 LTTSNJFBVWEMEY-UQBPGWFLSA-N 425.528 5.897 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C2CCCCC2)cc1 1862543561 JXHPPBVNOZQULC-VWLOTQADSA-N 429.560 5.785 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCCc2ccccc2)cc1 1862556036 NTBLBNNWUUWRTL-RUZDIDTESA-N 440.543 5.042 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862759052 JJGZQVQBFIKZNW-SFHVURJKSA-N 449.290 5.280 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(Cl)cc3C)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862897452 NZZHZXQSRUWUEW-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCc2ccccc2)=C(c2ccc(OC)cc2)C1=O 1863671117 IWMMPGFPVGHEFR-UHFFFAOYSA-N 448.607 5.358 30 10 IKEE C=CCOc1ccccc1/C=C1\C(=O)N(Cc2ccccc2Cl)N=C1c1ccccc1 1865666843 VPGUOJJPPOXUQK-XLNRJJMWSA-N 428.919 5.735 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)c2c(Cl)cc(Cl)cc2Cl)c1 1865990460 HIRHQGHJTMWJCD-UHFFFAOYSA-N 443.717 6.310 30 10 IKEE CCCOc1ccc(-c2csc(NC(=O)c3cccc(C#N)c3)c2C(=O)OCC)cc1 1866100162 QLQABANWSITIDO-UHFFFAOYSA-N 434.517 5.505 30 10 IKEE CC(C)c1ccccc1-n1nnc(C#N)c1NC(=O)CCCOc1ccc(C(C)(C)C)cc1 1870145849 RZXPULYJZNXPSL-UHFFFAOYSA-N 445.567 5.358 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(C)cc2)c(=O)cc1CN(CC)CCCC 1870770673 UUDDAGJQWYFUGE-UHFFFAOYSA-N 440.672 6.718 30 10 IKEE C=CCOc1cn(Cc2ccc(OC)cc2)c(CNc2ccc(C(C)(C)C)cc2)cc1=O 1870813245 CQSKJBVGSWZBHN-UHFFFAOYSA-N 432.564 5.380 30 10 IKEE C=CCn1cc(OCc2ccc(F)cc2)c(=O)cc1CNc1ccc(C(F)(F)F)cc1 1871073232 DFHZZETVTXUBNK-UHFFFAOYSA-N 432.417 5.383 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(C1CCCCCC1)C3 1871352041 MSCKUZZAWJUDIU-IWIPYMOSSA-N 433.548 5.885 30 10 IKEE Cc1cc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)ccc1[N+](=O)[O-] 1871373961 XVGAKKHZRUBTPZ-DDIODMMUSA-N 441.439 5.603 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)cc(C)c3C2=O)cc1 1871374850 GMRHNMMFVRRHTM-FDTILGBMSA-N 430.887 6.192 30 10 IKEE Cc1c(OC(=O)c2cccc(Oc3ccccc3)c2)ccc2c1O/C(=C\c1ccccn1)C2=O 1871378801 AGASNPHYBCECRJ-UQQQWYQISA-N 449.462 6.018 30 10 IKEE CCOc1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 1871379649 HVTCDBPEKNPZLG-ZLWWARENSA-N 444.458 5.768 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OC(=O)c4cccc(OC(C)C)c4)ccc3C2=O)c1 1871387318 ORAVUZZHYOKMMN-CFRMEGHHSA-N 430.456 5.318 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OC(=O)c4cccc(OC(=O)C(C)C)c4)ccc3C2=O)c1 1871390171 JKVQMBQPNKRZGK-CFRMEGHHSA-N 442.467 5.392 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OCCOc4ccccc4)ccc3C2=O)cc1 1871397493 UDEFEQKXSCMVLX-ITYLOYPMSA-N 429.516 5.607 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCCCCOc3ccccc3)ccc2C1=O 1871403088 DVAJVUYCASUIRZ-ITYLOYPMSA-N 430.500 5.940 30 10 IKEE Cc1cccc(OCCOc2ccc3c(c2C)O/C(=C\c2c(F)cccc2Cl)C3=O)c1 1871406063 GRPSCGGDSBXYOC-UCQKPKSFSA-N 438.882 6.170 30 10 IKEE Cc1ccc(OCCOc2cc(C)c3c(c2)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)cc1 1871407195 YCWHRAKGLDQAQP-ONUIUJJFSA-N 442.555 6.675 30 10 IKEE COc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4C)cc(C)c3C2=O)cc1 1871408245 CEEZBPITXGUMTL-SMNNTEATSA-N 443.499 5.334 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C)cc4Cl)cc(C)c3C2=O)c1 1871435945 HPAIKHDFKWPEMI-FMCGGJTJSA-N 447.918 5.899 30 10 IKEE Cc1c(OCCN2CCCC2)ccc2c1O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 1871448951 DIXYKOQSDAJAAD-XHPQRKPJSA-N 425.528 5.753 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc5ccccc45)cc(C)c3C2=O)c1 1871452475 HOVASCCFASOTDB-YSMPRRRNSA-N 449.506 6.090 30 10 IKEE CCCCCCCCN=c1nc(N2CCCCCC2)[nH]c(=Nc2ccc(F)c(Cl)c2)[nH]1 1871656105 PGTGEGRHPWIUGM-UHFFFAOYSA-N 449.018 5.404 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)C(Cl)(Cl)Cl)n2)c(OCC)c1 1872783512 BIKUCDCSAVCKSY-GFCCVEGCSA-N 433.744 5.154 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(F)c(F)c3F)n2)c2ccccc12 1872788455 IVQDXZHFPNWQRA-MRXNPFEDSA-N 438.430 5.879 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCC)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873084672 FJEUHMDHECLOMW-UHFFFAOYSA-N 432.608 6.184 30 10 IKEE CCCCCCCCNC1=C(c2ccc(Cl)cc2)C(=O)N([C@@H]2CCCC[C@H]2C)C1=O 1873138619 YJTJNGCGLULTIU-WIYYLYMNSA-N 431.020 5.949 30 10 IKEE CCCSc1nnc(C(C)C)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1873503278 GKWXNQYABSLNGA-ZVHZXABRSA-N 428.989 6.018 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccccc1 1874216327 QHUFKUVTPPKYJP-BUVRLJJBSA-N 426.973 5.494 30 10 IKEE CCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874230325 DKKOOFLOZOLBJO-AFUMVMLFSA-N 443.016 6.111 30 10 IKEE CSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874250475 GMUYTWXRPKLKAH-YDZHTSKRSA-N 435.380 5.509 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccccc3Cl)n2/N=C/c2ccncc2)c1 1874266475 ZGBUJIXOLDBCPC-VULFUBBASA-N 449.967 5.388 30 10 IKEE Cc1ccc(OCc2nnc(SCCc3ccccc3)n2/N=C/c2ccc[nH]2)cc1C 1874320759 ISZBUIWZMHJODD-WGOQTCKBSA-N 431.565 5.019 30 10 IKEE C=C(C)CSc1nnc(COCc2ccccc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874355589 RDORFNAFBFJBBN-CVKSISIWSA-N 434.609 5.843 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1cccc2ccccc12 1874482633 JIOGCEPIEPYMAY-MFKUBSTISA-N 445.548 5.812 30 10 IKEE CCOc1cccc(/C=N/n2c(CC(C)C)nnc2SCc2cccc(Cl)c2)c1 1874491210 FSOCEOWMHGKDLW-ZVHZXABRSA-N 428.989 5.703 30 10 IKEE Fc1ccc(CSc2nnc(C3CCC3)n2/N=C/c2ccc(Cl)c(Cl)c2)cc1 1874494628 BFBTWEGCDFLNAX-BHGWPJFGSA-N 435.355 6.166 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1/N=C/c1ccc(Br)cc1 1874503541 MWTOUNKCMJNNLO-LPYMAVHISA-N 429.387 5.476 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C)n2/N=C/c2ccc(C(C)(C)C)cc2)c(C)c1 1874534234 YCLSUZVJOUHOAB-AFUMVMLFSA-N 435.597 5.114 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccccc1OCC(=O)NC1CCCCC1 1874591790 BWJFDQKKVKMHRH-ACCUITESSA-N 427.928 5.072 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccccc1OCC(=O)Nc1c(C)cccc1C 1874591964 KWFJPHRZCCARRE-ACCUITESSA-N 449.934 5.879 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3cccc(C)c3)c2)cc1 1874595259 BUMKTJYRHQUBGY-RIYZIHGNSA-N 445.515 5.316 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)ccc1OCC(=O)Nc1ccccc1 1874604688 AIAIQDITWYONRQ-FOWTUZBSSA-N 429.516 5.561 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OCC(=O)Nc1ccccc1C 1874613063 ANKXYUNXAJRCKH-ZRDIBKRKSA-N 435.907 5.571 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(OC)c1OCCc1ccccc1 1874623108 MMAWUSVVMJWRPW-ISLYRVAYSA-N 448.562 7.095 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OCC(=O)OCC(C)C 1874631828 WMSXYSLYAPHURJ-VQHVLOKHSA-N 430.928 5.440 30 10 IKEE COc1ccc(CCC(=O)Oc2cc(/C=C/C(=O)c3ccc(OC)cc3)ccc2OC)cc1 1874697075 SMUOQASLTLBYJY-GIDUJCDVSA-N 446.499 5.147 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3cccc(/C=C/C(=O)c4ccc([N+](=O)[O-])cc4)c3)c(C)c2c1 1874698425 VWWKFGMDQQXPEA-NTUHNPAUSA-N 440.455 5.808 30 10 IKEE CCCCCCOc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(C)cc3)c2)cc1 1874701616 BOEHFANOSNCMOK-XDHOZWIPSA-N 442.555 7.069 30 10 IKEE O=C(Oc1cccc(/C=C/C(=O)c2cccc3ccccc23)c1)c1ccc(C(F)(F)F)cc1 1874708210 SELFOVZESDOAJM-LFIBNONCSA-N 446.424 6.974 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cc(Cl)ccc3Cl)c2)cc1C 1874714254 LZXILHULUIZNOQ-YRNVUSSQSA-N 425.311 6.726 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1cccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1 1874718159 BOLLRIHYYHZNGO-IZZDOVSWSA-N 429.274 6.177 30 10 IKEE CCCCCCCCC(=O)N1[C@H](C)CSc2nnc(COc3c(C)ccc(C)c3C)n21 1875065822 DLROWOUDKRFDHK-LJQANCHMSA-N 444.645 5.492 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)c(F)c3F)cc2)cc1OC 1875099186 UYHLQCQXSTZJQQ-VZUCSPMQSA-N 442.389 5.236 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(CCCC)cc2)cc1Br 1875106848 NRDBJEHHFUNYJC-RVDMUPIBSA-N 443.381 6.783 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 1875110702 YCOVCEKDMPQSAH-WUXMJOGZSA-N 437.835 5.372 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC(=O)CC(C)(C)C 1875117281 MRNLLIAYBHRRPU-BJMVGYQFSA-N 431.872 5.495 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Cl)c(OC(=O)c2cccs2)c(OC)c1 1875118405 VLLWJPJRWVTCPP-MDZDMXLPSA-N 428.893 5.534 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)COc1cc(F)ccc1F 1875136798 XGUHHUPPWRQNND-VZUCSPMQSA-N 438.426 5.162 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)c1sccc1C 1875141110 OGGXDKJBHVDQLH-VMPITWQZSA-N 440.492 5.637 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccco3)c(Br)c2)cc1 1875155896 UVGRNYBGCPKGFS-VZUCSPMQSA-N 439.305 6.281 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1OC(=O)c1ccccc1C 1875159876 PEDUSVFNSAKNGK-MDWZMJQESA-N 449.434 5.556 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(F)c3)cc2Cl)c1 1875162239 DLARSGINCUOURZ-XVNBXDOJSA-N 426.846 6.350 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)cc2)c1 1875168715 RBVZKMUUTJWBJB-RVDMUPIBSA-N 442.555 6.363 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)c1ccncc1 1875185931 VWAXXHZSIZRVPV-JXMROGBWSA-N 429.516 5.811 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3ccco3)c(OC)c2)cc1Cl 1875187591 UYEIGCRIXRTTFE-FNORWQNLSA-N 447.270 5.719 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3)c(Cl)c2)cc1Cl 1875188845 MPGFZDWKUSSHNV-JXMROGBWSA-N 427.283 6.117 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c4ccccc34)cc2)cc1 1875189853 AYNDVBDKHNGKEO-LDADJPATSA-N 436.507 6.526 30 10 IKEE CC#CCCCCC(=O)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1885368746 BGFOWIQKRKDHEZ-LJAQVGFWSA-N 442.555 6.031 30 10 IKEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)CC1 1890893510 GCIRRTDWWYMHDZ-UHFFFAOYSA-N 432.612 5.289 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cccnc3-c3ccsc3)cc21 1891287301 FDTUOEUZAPFECS-UHFFFAOYSA-N 433.533 5.000 30 10 IKEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)NCc3cc(-c4ccsc4)cs3)n[nH]2)c1C 1891511869 ZXPYSUOTUGSRAQ-UHFFFAOYSA-N 437.594 5.186 30 10 IKEE CC(C)(C)OC(=O)NCC(C)(C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1939080132 PLFFYMBUQJQPTL-QGZVFWFLSA-N 437.968 5.525 30 10 IKEE CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 1941062120 RSUQBSDHCVTWQK-FDDCHVKYSA-N 435.540 5.399 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)C1 2004675394 VRSVXJMJRPQTKE-XZOQPEGZSA-N 430.633 5.411 30 10 IKEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2032562525 VHCGXRNYXCAYFA-MZNJEOGPSA-N 447.551 5.497 30 10 IKEE COc1ccc(C(=O)C(=Cc2cc(OC)c(OC)c(OC)c2)c2nc3ccccc3o2)cc1 2040470195 KRMZCWQIFNPRJZ-UHFFFAOYSA-N 445.471 5.286 30 10 IKEE COc1cccc(C=CC(=O)c2c(O)nc3ccc(Cl)cc3c2-c2ccccc2)c1OC 2053493328 PINYIYIVHZGXKA-UHFFFAOYSA-N 445.902 6.174 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C2(CC2)C1 2065973204 LSLWAGNVGJYZIC-XMMPIXPASA-N 445.535 5.251 30 10 IKEE CC(C)(C)OC(=O)NCc1ccc([C@](C)(C#N)N(C(=O)OC(C)(C)C)C2CCCC2)cc1 2067354151 LKSHQDOFQYCQLE-VWLOTQADSA-N 443.588 5.630 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@]1(C#N)C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 2070328610 ROFOKUDQVUWSJT-AOXNNKNRSA-N 436.527 5.845 30 10 IKEE CCc1ccc([C@@H](C(C)C)n2nc(C3(C)CC3)c(C#N)c2I)cc1 2079090514 NOPOUBDUNINPFB-QGZVFWFLSA-N 433.337 5.219 30 10 IKEE CC(C)(C)[C@@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)(F)F)c(CO)c1Cl 2079978638 DRZZICNSYYWZNK-CYBMUJFWSA-N 432.767 5.841 30 10 IKEE Cc1cc(C)c([C@@H](n2nc(C(C)C)c(C#N)c2I)C2(C)CC2)c(C)c1 2079992580 GFSYSUQDXIVHRU-LJQANCHMSA-N 447.364 5.798 30 10 IKEE CCc1nn([C@@H](c2ccc(SC)cc2)C2(C)CC2)c(I)c1C#N 2080101495 GWJAAEOHRCAFLN-INIZCTEOSA-N 437.350 5.033 30 10 IKEE COc1c2c(nc3c(-c4cc(C(F)(F)F)cc(F)n4)c(C(F)(F)F)nn13)CCCCC2 2081411031 ADVGBPAHFYKODT-UHFFFAOYSA-N 448.342 5.246 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Cl)cc(Br)c1 2081554408 HAHFYOIFDGHUMX-SJORKVTESA-N 429.786 5.060 30 10 IKEE C=CCN(CC[C@H](Cc1cc(Cl)cc(Br)c1)NCC)C(=O)OC(C)(C)C 2110499823 DFQAIYOHJJAAPE-GOSISDBHSA-N 445.829 5.436 30 10 IKEE CC(C)C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)Nc1cccc(Br)c1 2149841019 GGNRQONTSQVMDV-HRAATJIYSA-N 436.394 5.426 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCNC2(CCCC2)C1 2194578909 GOBHUANZLDYZDC-NRFANRHFSA-N 434.378 5.149 30 10 IKEE CCCCCCC[C@H](O)c1sc(Br)c(Br)c1Br 2216401756 NVVANPAVFDOWFD-QMMMGPOBSA-N 449.046 6.430 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1sc(C)c(Br)c1C 2219016745 FYXAQZDKBGZHPB-GDBMZVCRSA-N 429.424 5.085 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)cc1Cl 2222741516 WIOTYCGPFMNRAK-SJORKVTESA-N 431.802 5.613 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)cc(F)cc1Br 2225599231 GPPYAOJGUPXTST-RDJZCZTQSA-N 433.337 5.237 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(C)c(Br)c(C)c1 2227363069 SYBAHNROLMIDQT-PKOBYXMFSA-N 425.411 5.576 30 10 IKEE C=CCC[C@@H](C)[C@@H](NCCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248462006 AHUVRXCYPRLATC-FYYLOGMGSA-N 430.633 5.411 30 10 IKEE Cc1sc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)C2CCCC2)c1C 2255829956 XUPPHEFULVYVLR-UHFFFAOYSA-N 439.430 5.249 30 10 IKEE C=CCCC1([C@H](NC)c2ccc(Br)c(Cl)c2)CN(C(=O)OC(C)(C)C)C1 2266317213 FVKXWKFBFHPABZ-QGZVFWFLSA-N 443.813 5.566 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)cc(C(C)C)c1 2280707943 FIYPXRBRGPSIEE-UXHICEINSA-N 439.438 6.083 30 10 IKEE CCN[C@@H](C#Cc1cccc(Br)c1)c1cc(Br)c(Cl)s1 2296220066 UUBJTFSOUIKXBE-ZDUSSCGKSA-N 433.596 5.629 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)C[C@@H](NC(=O)OC(C)(C)C)C(C)C 2296281603 MTDXGKWHWGHBOF-WOJBJXKFSA-N 437.422 5.108 30 10 IKEE Cc1cc(C)c2oc(-c3ccc(C)c(N=Cc4cc(Br)ccc4O)c3)nc2c1 2297708462 KEKODGIRTHJELY-UHFFFAOYSA-N 435.321 6.639 30 10 IKEE O=C1NC(=Nc2ccc(F)cc2)SC1=Cc1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 2313558002 QOXWOEPXFXMKFW-UHFFFAOYSA-N 442.855 5.329 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2cccc([N+](=O)[O-])c2)c1)c1ccc(-c2ccccc2)cc1 2314429867 QOVYUQLDHNPUBO-UHFFFAOYSA-N 449.462 6.377 30 10 IKEE O=C1C(=Cc2cccnc2)SC(=Nc2nc(-c3ccccc3)cs2)N1C1CCCCC1 2314544335 YZNLYUUACHFIIV-UHFFFAOYSA-N 446.601 6.142 30 10 IKEE CCCCOc1ccc(C=C2SC(=Nc3ccc(C)cc3O)N(C)C2=O)cc1OC 2314927335 DFOBXZMBFCASAB-UHFFFAOYSA-N 426.538 5.122 30 10 IKEE COc1ccc(CCN2COc3ccc4c(c3C2)OC(=Cc2cccc(C)c2)C4=O)cc1 2321937433 AQICZOOYTAHGDL-UHFFFAOYSA-N 427.500 5.014 30 10 IKEE CCN(CC)CCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccccc1C)C3=O 2322123098 VTDWYBNICHJEDO-UHFFFAOYSA-N 434.580 5.194 30 10 IKEE CCCCCCCCCCN1COc2ccc3c(c2C1)OC(=Cc1ccc(CC)cc1)C3=O 2322131493 PZBGHSKBHXFIHM-UHFFFAOYSA-N 447.619 7.158 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1cccc2ccccc12)c1ccccc1Cl 2322436807 HHDYJFAVKQDDOH-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2c(OCC(=O)NCc3ccccc3)ccc3ccccc23)c1 2322617101 WMAIMUHYYBQNCJ-UHFFFAOYSA-N 449.550 6.048 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(OC(=O)c4cccc(C)c4)c3C)C2=O)c2ccccc21 2322880844 AGIXVOGDLQWYRZ-UHFFFAOYSA-N 437.495 6.113 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(Cl)cc2C=CC(=O)c2ccc(C)c(C)c2)o1 2322899790 RXSCTDLNGZXQSD-UHFFFAOYSA-N 438.907 6.202 30 10 IKEE Cc1cc(OC(=O)c2cccc(F)c2)cc2c1C(=O)C(=Cc1c(Cl)cccc1Cl)O2 2323301546 HLYZNPMKDLWIMI-UHFFFAOYSA-N 443.257 6.276 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)Cc4cccc5ccccc45)cc(C)c3C2=O)cc1 2323400604 AVQXCIOULMPFCJ-UHFFFAOYSA-N 448.518 6.475 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3Cl)c(OCC)c2)cc1 2323555014 MVULPYYXSNORCJ-UHFFFAOYSA-N 448.990 7.556 30 10 IKEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(C)c2)C3=O)c(OC)c1 2323770183 LJZFMZIQBRPVLC-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc(Cl)c2)c(Br)c1)c1ccccc1 2323809159 FCMYCSSEYNYGCZ-UHFFFAOYSA-N 427.725 6.578 30 10 IKEE CCOc1ccc(C=NNc2nc(-c3ccc(OC)c(OC)c3)cs2)c(OCC)c1 2323865879 NCVTZGNWYNUSDF-UHFFFAOYSA-N 427.526 5.071 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3c(ccc(O)c3CN3CCc4ccccc4C3)C2=O)cc1 2324111157 MPFQPPFBUHSBSH-UHFFFAOYSA-N 439.555 5.864 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(OC)c1OCc1cccc(F)c1 2324261261 HYEOZPSMEQFGLW-UHFFFAOYSA-N 438.445 6.316 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCc4ccc(C(=O)OC(C)C)cc4)cc(C)c3C2=O)c1 2324607134 HFAODOBATAQAEK-UHFFFAOYSA-N 442.511 6.064 30 10 IKEE COc1ccc(OC)c(C=CC(=O)[C@@H](C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)c1 2324726185 XGGJNXPOVYSJGV-HXUWFJFHSA-N 448.544 5.342 30 10 IKEE CCCN(CCC)C(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2325198691 VXMVVEVPKQBJEO-UHFFFAOYSA-N 449.591 5.936 30 10 IKEE COc1ccc(C=C2Oc3cc(OCCC(=O)Nc4ccccc4)cc(C)c3C2=O)cc1 2325477228 KTLRAIOMRVFKPQ-UHFFFAOYSA-N 429.472 5.027 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1N=Cc1c(F)cccc1Cl 2325528866 AUBWINHEIFERFV-UHFFFAOYSA-N 437.371 6.241 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(C(C)C)cc1 2325571682 HTLBDGXXWJIXAK-UHFFFAOYSA-N 447.435 6.835 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(F)c(Cl)c2)cc2c1C(=O)C(=Cc1ccccc1)O2 2325592999 LZLWAKHFYBMWEQ-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE COc1cc(C=CC(=O)C(=O)Nc2c(C)cc(C)cc2C)ccc1OCc1ccccc1 2325649647 BBLKNCUAVXIKBG-UHFFFAOYSA-N 429.516 5.420 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2C)C3=O)cc1Cl 2325729872 IQFDLSBMHMHHCC-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)CCc3ccc(CC)cc3)c2)cc1 2325735030 SNBFBYHOSYKEFN-UHFFFAOYSA-N 428.528 6.082 30 10 IKEE COc1ccccc1C=C1Oc2cc(OCC(=O)Nc3cc(C)ccc3C)cc(C)c2C1=O 2325740554 DLQAMTRKYCFABK-UHFFFAOYSA-N 443.499 5.254 30 10 IKEE CCSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1ccc(F)cc1F 2326315432 VCQQGKJWCYGSBU-UHFFFAOYSA-N 430.524 5.125 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccccc1Cl 2327552045 HLLXOTGVBBBZLS-UHFFFAOYSA-N 433.364 5.714 30 10 IKEE C=CCSc1nnc(COc2ccccc2OC)n1N=Cc1c(Cl)cccc1Cl 2328297491 QLERPJYRQFTNJZ-UHFFFAOYSA-N 449.363 5.333 30 10 IKEE CCCCCOc1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCC)cc1 2329827236 FMCBHOXHQVFRNB-UHFFFAOYSA-N 426.561 5.571 30 10 IKEE Clc1cccc(C=Nn2c(Cc3cccs3)nnc2SCCc2ccccc2)c1 2330396565 SDRNKSGAPWSNHL-UHFFFAOYSA-N 439.009 5.801 30 10 IKEE Cc1ccccc1CSc1nnc(-c2cccs2)n1N=Cc1c[nH]c2ccccc12 2330537949 OIVKJLQESPRKJS-UHFFFAOYSA-N 429.574 5.971 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1Cl 2330659026 HTZZEWVFPOCNES-UHFFFAOYSA-N 444.889 6.677 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(C=CC(=O)c3ccc4ccccc4c3)cc2Cl)c1 2330663136 MIKWAQSNYVUIJN-UHFFFAOYSA-N 440.926 7.225 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(Cl)c1OC(=O)c1ccccc1 2330676941 ZRUOYUNVMPKMMZ-UHFFFAOYSA-N 446.930 6.343 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)CCCC4)cc2)c1 2330678496 ZECJJAOIIBWSSJ-UHFFFAOYSA-N 442.511 5.698 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1 2330678686 VPRUREVZMWMEPA-UHFFFAOYSA-N 446.546 6.763 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccccc3)c(Cl)c2)cc1C 2330860096 WHSYDHKXHIJROW-UHFFFAOYSA-N 436.891 5.538 30 10 IKEE CC(C)COC(=O)CSc1nnc(CC(C)(C)C)n1N=Cc1ccc(C(C)(C)C)cc1 2330873133 DDUUQWHKACOKMX-UHFFFAOYSA-N 444.645 5.338 30 10 IKEE CCC(=O)Oc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1Br 2330888982 HWDHOVBDOKIOKR-UHFFFAOYSA-N 438.115 5.423 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3ccccc3F)nnc2[C@@H]2CCCO2)c1 2330959220 ZYZXXDILJJFVLJ-NRFANRHFSA-N 440.544 5.232 30 10 IKEE Clc1ccc(CSc2nnc([C@H]3CCCO3)n2N=Cc2ccccn2)c(Cl)c1 2330999204 QFSHFLJNZIVYMM-QGZVFWFLSA-N 434.352 5.006 30 10 IKEE COc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CCCC2)cc1 2331092725 GVGVZFIUAAEMFD-UHFFFAOYSA-N 426.973 5.772 30 10 IKEE Fc1cccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C(F)(F)F)c1 2331149983 LCGODDVLWLFXNN-UHFFFAOYSA-N 430.430 5.764 30 10 IKEE COc1cccc(C(=O)Oc2c(Cl)cc(C=CC(=O)c3ccc(C)cc3)cc2OC)c1 2331256069 QZOQLLKOIRMMFS-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)Cc2ccccc2F)c([N+](=O)[O-])c1 2331362203 IQOXWRVTIPEUIE-UHFFFAOYSA-N 449.434 5.095 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(OC)ccc2OC)ccc1OC(=O)c1ccc(C)cc1 2331392177 YNKPPVZIPBCKHO-UHFFFAOYSA-N 446.499 5.526 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(Br)c1OC(C)=O 2331653771 KDYVUPBVOYSLGM-UHFFFAOYSA-N 445.353 5.903 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)cc3)c(Cl)c2)c(OC)c1 2331717527 DQRDFPZFGMPACO-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE CCOc1ccc(C=C(C(=O)Nc2c(C#N)nnn2-c2ccccc2C)c2ccccc2)cc1 2332190665 JAIWFNWRXHJBGE-UHFFFAOYSA-N 449.514 5.025 30 10 IKEE C[C@@H]1C[C@@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN1Cc1ccccc1 2339578142 CNVSKGMBAQHOBJ-OFNKIYASSA-N 433.405 5.191 30 10 IKEE CC1(C)OB(c2cc(Cl)cnc2SCc2cccc(Br)c2)OC1(C)C 2341276461 MFOBBBUWSSGCFG-UHFFFAOYSA-N 440.599 5.089 30 10 IKEE CCCN[C@H](C#CC1(SC)CCC1)c1csc(Br)c1Br 2361310842 KXYWSEXAWBPPHI-GFCCVEGCSA-N 437.266 5.603 30 10 IKEE CCCN[C@@H](C#CC1(SC)CCC1)c1csc(Br)c1Br 2361310844 KXYWSEXAWBPPHI-LBPRGKRZSA-N 437.266 5.603 30 10 IKEE Cc1cccc2oc(-c3cccc(/N=C/c4cc(Br)cc(Cl)c4O)c3)nc12 3656936 KTEPMFGMBKMTSY-BHGWPJFGSA-N 441.712 6.675 30 10 IKEE C=CCn1c(COc2cc(C)cc(C)c2)nnc1SCC(=O)Nc1ccc(Cl)cc1 14125836 KUMGRMNKRDMCGH-UHFFFAOYSA-N 442.972 5.044 30 10 IKEE CN(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(O)cc2)cc1 21230295 PSLLQZKSDIXQCE-UZTOHYMASA-N 425.532 5.438 30 10 IKEE Cc1noc2c1[C@@H](c1ccc(Cl)cc1Cl)C1=C(C[C@H](c3ccccc3O)CC1=O)N2 33026458 CEDOFBNGFVTUKT-LAJNKCICSA-N 441.314 5.954 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(N(CC)CC)cc2OC)S/C1=N/c1ccc(OC)cc1 33294012 UJUOMSBOBXQIEM-UQRBVYKBSA-N 439.581 5.174 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3C)c(OC)c2)c(OC)c1 34954253 NZSGXVHPQGFELN-UKTHLTGXSA-N 432.472 5.136 30 10 IKEE CCCCCCCCCCCCCCCCNCc1cccc(OC)c1OCCOCC 100125433 BGKKJEKXPLNIOC-UHFFFAOYSA-N 449.720 7.681 30 10 IKEE CCCCCCCOc1ccc(NC(=O)[C@H](CC)Oc2ccccc2[C@@H](C)CC)cc1 100260418 ZVNAEFLMSNZDDB-OFVILXPXSA-N 425.613 7.345 30 10 IKEE Cc1ccc(-c2cc3ccccc3o/c2=N/N=C2/SCC(=O)N2c2cccc(C)c2)cc1 101301016 ICMCGPZDZDMCPF-NBHCHVEOSA-N 439.540 5.668 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(Oc2ccc(C)cc2)c1N 101531936 VJHCJQVZIQPRBS-UHFFFAOYSA-N 440.676 8.053 30 10 IKEE O=C1C(=O)N(c2ccccn2)[C@H](c2cccc(Cl)c2)/C1=C(/O)c1ccc(Cl)cc1 102528531 ZWAAUTXRPQCQGQ-LAFOYAEKSA-N 425.271 5.015 30 10 IKEE C=CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N/c1cc(C)ccc1C 110127290 UZDHATYOWYEWMI-VHPLVOQASA-N 437.590 5.472 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 169925366 QORGQJLFDNZRNJ-XMMPIXPASA-N 439.467 5.533 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2cccc(OC)c2)cc1 169932782 CNIKMQXGMUXDOW-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE COc1cccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccc(C)c(C)c2)c1 169932873 WYTOFGAUYPYHKF-AREMUKBSSA-N 441.527 5.414 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(C)c(C)c2)=C(O)C(=O)N1c1cccc(F)c1 169940012 ZUIYFSBFUKACSF-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE COc1cccc(-c2csc(N/N=C\c3ccccc3OCc3ccc(C)cc3)n2)c1 169942753 OTNUHHUZAMDTAQ-YSMPRRRNSA-N 429.545 6.152 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccc(O)cc2)s1 169958326 CGOCCPZSKQKCKJ-OAQYLSRUSA-N 448.544 5.372 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)c1 169970288 IFOOKIGDIFCHOH-XMMPIXPASA-N 431.919 5.750 30 10 IKEE CC(C)Oc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccccc2)c1 169979683 YOBNMKSRIDOVAD-HSZRJFAPSA-N 447.918 5.910 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@@H]1c1ccccn1 169997010 GTHZBQOTBFZFFN-QHCPKHFHSA-N 432.907 5.145 30 10 IKEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2ccccc2)cc1 170054037 FMEFGZYZLCJMPF-RUZDIDTESA-N 441.527 5.133 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1)c1ccc2c(c1)CCO2 170057970 RZPGKXSHUZXGAB-QFIPXVFZSA-N 449.865 5.197 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccc(F)cc2)cc1C 170062438 CMHZGTKYOSLYDZ-QFIPXVFZSA-N 446.434 5.134 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(C(C)C)cc2)s1 170068303 WWIUNPVYENMJIF-NRFANRHFSA-N 447.560 5.057 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccc(C)o2)cc1 170101445 IINMEHHTCBKALL-JOCHJYFZSA-N 435.451 5.217 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc(OCC(C)C)cc2)=C(O)C(=O)N1C1CCCC1 170126078 MKKMYBJACCGAIP-DEOSSOPVSA-N 449.547 5.251 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cc4cc(Cl)ccc4o3)=C(O)C(=O)N2Cc2ccco2)c1 170144060 CRBSZWIFVNTRKC-QFIPXVFZSA-N 447.874 5.766 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2cccnc2)cc1C 170187061 VFIFYGYGEISWCI-RUZDIDTESA-N 434.495 5.635 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccccc2)cc1C 170225281 UWQMZXYFIQRSBY-VWLOTQADSA-N 441.527 5.793 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2C)cc1Cl 170278386 JYFZRYFEYQUEFH-OAQYLSRUSA-N 425.912 5.178 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccc(C)o2)cc1C 170302615 SMXMZHLRUJTGPY-DEOSSOPVSA-N 445.515 5.613 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@H]1c1sccc1C 170318635 KTZQDNQJFXFUSX-NRFANRHFSA-N 441.593 5.875 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(C(C)(C)C)cc2)cc1 170390547 UJWAEPVXCOUNEZ-DEOSSOPVSA-N 440.543 5.724 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc(Cl)cc(Cl)c1O)N2 226739815 YVJKBHYLMIKQLY-IMWIBFENSA-N 446.418 7.875 30 10 IKEE CC(C)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(SC(F)F)cc1 254697008 ILSGGCLLEHRKLD-QGZVFWFLSA-N 449.548 5.370 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(C)o2)cc1Cl 526490844 IKWITLWGKBBCNR-JOCHJYFZSA-N 434.879 5.569 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccc(C)c2)c1 526514943 FJPXWMOKCZDCJE-SANMLTNESA-N 438.527 6.103 30 10 IKEE CCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1cccc(Cl)c1Cl 526806374 UNLRQWCMEVZJMP-MXAYSNPKSA-N 447.435 6.619 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1c(O)ccc2ccccc12 526808150 BYUCCSXRGJTQDG-QQXSKIMKSA-N 430.577 5.962 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1ccc(OC)cc1 526814034 LZBBNBATCMJVCC-CFRMEGHHSA-N 449.407 6.111 30 10 IKEE CCCCCCCCCC[C@@H](N)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 693710755 XYHAHKYEHFWFIM-SQHAQQRYSA-N 445.692 6.014 30 10 IKEE CCC[C@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Br)CC1 698459168 VMSOQIONRIAHAG-JTSKRJEESA-N 435.406 6.833 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@@]1(C#N)CCc2cc(Br)ccc2C1 698960241 FQMDKSYXVVYNCO-IBGZPJMESA-N 434.338 5.138 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1ccc(F)c(Cl)c1 710752680 NEBJGUIWBMBTBK-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE C=CCOC(=O)/C=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1 1084093640 OCOMNJANISKPLB-FPLPWBNLSA-N 442.136 6.077 30 10 IKEE CC(=NNc1nc(-c2ccc(Br)cc2)cs1)c1ccc(-c2ccccc2)cc1 1084462133 JMBGMKHAXTZQKD-UHFFFAOYSA-N 448.389 7.076 30 10 IKEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3)nc2O)cc1 1355842596 PLIYJABINUHEAD-UHFFFAOYSA-N 447.922 5.174 30 10 IKEE Fc1c(F)c(F)c(NN=Cc2ccccc2OCc2cccc3ccccc23)c(F)c1F 1565518939 RWABNOMBBMAZOF-UHFFFAOYSA-N 442.387 6.560 30 10 IKEE C=CCN1C(=O)/C(=C/c2cccc(OCc3ccc(C)cc3)c2)SC1=Nc1nccs1 1772734088 MCJVOSMPSKFETD-POLMPROESA-N 447.585 5.821 30 10 IKEE O=C1NC(=NN=Cc2ccc(-c3ccc(Cl)cc3)o2)S[C@H]1Cc1ccccc1Cl 1772742354 NGZSUQOUZITYGC-IBGZPJMESA-N 444.343 5.418 30 10 IKEE CCCCCCCCCOc1cccnc1NC(=O)/C=C/c1cc(OC)ccc1OC 1858750155 NYVWXXJISOFTLZ-DTQAZKPQSA-N 426.557 5.880 30 10 IKEE N#Cc1ccc(COc2cccc(NC(=O)COc3ccc(Cl)cc3Cl)c2)cc1 1860103734 KQZROTDMXWVMIX-UHFFFAOYSA-N 427.287 5.462 30 10 IKEE Fc1ccc(/C=N/NC(=S)NC(c2ccccc2)c2ccccc2)cc1Br 1860498036 LEYJYXUXOANPRF-ZVHZXABRSA-N 442.357 5.176 30 10 IKEE CCCCCCCCNC(=O)[C@H](CC)NC(=O)CCCOc1ccc2ccccc2c1 1861700208 RCUDWKLCMGKXRT-DEOSSOPVSA-N 426.601 5.370 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)COc1ccc(C)cc1)c1ccccc1 1861797719 YHJUEQMPTSMYEZ-SANMLTNESA-N 438.612 5.488 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)CCc1ccccc1 1861823165 WZJRAWNMLNCELR-AREMUKBSSA-N 436.640 5.604 30 10 IKEE N#Cc1ccccc1NC(=O)c1cc(CCc2ccccc2)n(Cc2cccc(Cl)c2)n1 1862327966 UYAGFKIDEZSAHS-UHFFFAOYSA-N 440.934 5.494 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(Cl)cc2Cl)n(Cc2cccc(F)c2)n1 1862331704 IXWZQKDWMAZXHU-UHFFFAOYSA-N 444.337 5.859 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862392692 DFTVIOQVNNXUSF-HSZRJFAPSA-N 448.519 5.458 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccccc2)cc1C 1862400824 NUYPNRKXZITYJH-DEOSSOPVSA-N 433.548 5.695 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@H]2c2cccc(O)c2)c1 1862411910 RCYFVAWJLBNECO-HSZRJFAPSA-N 449.453 5.066 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)c1 1862411997 UBTXYRUVYHXJPB-RBQRDFNRSA-N 425.475 5.430 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2cccc(O)c2)cc1 1862444248 YXPYQKRPPISBEB-HSZRJFAPSA-N 447.918 5.175 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccccc2C)cc1 1862475207 GQZSXFQWKCRCAM-XMMPIXPASA-N 427.500 5.091 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2ccccc2)c1 1862486625 HQDNIROMYXPWLZ-VWLOTQADSA-N 425.528 5.515 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccc(C)cc2)cc1 1862487075 RTWYGNFLXUZCHP-SANMLTNESA-N 439.555 5.741 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCCCC2)c1 1862489471 WDGLNJSYWCINQL-XMMPIXPASA-N 433.548 5.613 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(F)cc2F)ccc1F 1862503471 YFVZUHFMAHJOCG-OAQYLSRUSA-N 429.438 5.323 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2ccccc2F)cc1 1862530467 QWAFSIJOUHDZBZ-XMMPIXPASA-N 429.491 5.475 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2c(Cl)cccc2Cl)cc1 1862538059 CKTVBIGNQSFBRF-OAQYLSRUSA-N 444.358 6.077 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cccc(O)c1 1862544677 ISLRNCYOMDULBC-LAMXGVLKSA-N 445.559 5.428 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862561118 QQQQCWDOCTZDDW-DEOSSOPVSA-N 444.506 5.310 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 1862619529 XIOCUQTVNPYBIF-YCRPNKLZSA-N 436.508 5.269 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2Cc2ccccc2)cc1 1862648636 GZPDVAGMGALWPF-AREMUKBSSA-N 433.507 5.927 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2cccc(O)c2)cc1 1862664002 ZWXDAHYHEBHYCY-BSDZUQITSA-N 433.548 5.673 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccccc1Cl 1862700081 ALIVIJAZURUUTM-OAQYLSRUSA-N 427.928 5.507 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccccc1Cl 1862725947 VJOBCCXRFPSRHZ-XMMPIXPASA-N 445.946 6.241 30 10 IKEE CCOc1cc([C@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2CC)ccc1O 1862729220 SZIKPAZAFLWHNP-DEOSSOPVSA-N 443.499 5.056 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(C)c(C)c3)C2=O)c1 1863260610 XXFHXAINGFIQGN-UHFFFAOYSA-N 435.527 5.184 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCC(C)C)=C(c2ccc(Cl)cc2)C1=O 1863533813 TVJIPTJZKJGFOV-UHFFFAOYSA-N 433.036 6.196 30 10 IKEE N#Cc1ccccc1Nc1cc(N2CCc3cc4ccccc4nc32)nc(-c2ccccc2)n1 1868372657 IEZYPXUGXNUHSL-UHFFFAOYSA-N 440.510 6.001 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)N[C@H](C)c2ccccc2)c(=O)cc1C 1870093542 MZRDELCATDFNLR-JOCHJYFZSA-N 426.601 5.554 30 10 IKEE N#Cc1ccc(COc2cn(Cc3cccnc3)c(CSc3ccccc3)cc2=O)cc1 1870233252 GIWIXOWZXDPZJI-UHFFFAOYSA-N 439.540 5.035 30 10 IKEE CCCCCCCOc1cn(CCc2cnc[nH]2)c(CSc2ccccc2)cc1=O 1870251356 FEXDJWGDIIBIFB-UHFFFAOYSA-N 425.598 5.456 30 10 IKEE CCCCCCCOc1cn(CCN(CC)CC)c(CN2C[C@@H](C)C[C@@H](C)C2)cc1=O 1870411935 RWOCEZIAWPKURE-ZRZAMGCNSA-N 433.681 5.017 30 10 IKEE CCCCCCCCn1cc(OCc2cccc(F)c2)c(=O)cc1CN1CCC[C@H](C)C1 1870614459 MTFQJRRBWLFLLB-QFIPXVFZSA-N 442.619 6.159 30 10 IKEE CCCCCCCCn1cc(OCc2ccc([N+](=O)[O-])cc2)c(=O)cc1CN1CCCC1 1870684786 QFLQXGFBNZSCMN-UHFFFAOYSA-N 441.572 5.292 30 10 IKEE CCn1cc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCOC(C)C)C4)c2ccccc21 1871345498 ZXDRDDPGUFEVMG-CFRMEGHHSA-N 446.547 5.163 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(C(C)(C)C)cc1)C3=O)CN(CCOC(C)C)CO2 1871351544 APEFCBDKMAULLP-QRVIBDJDSA-N 435.564 5.486 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(C(C)(C)C)cc1)C3=O)CN(CCCCN(C)C)CO2 1871354984 LRVPMBYMIGWYMW-IWIPYMOSSA-N 448.607 5.402 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OC(=O)Cc4ccc(Cl)c(Cl)c4)c3C)C2=O)o1 1871377031 QRCQAKPOJZGCIN-JAIQZWGSSA-N 443.282 5.968 30 10 IKEE Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)o2)C3=O)c(C)c1 1871402905 PFCDASFYUXJDPF-AYBNGVQBSA-N 445.515 5.844 30 10 IKEE CCCCCCOC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 1871421454 FNEFXOMJSHQRNA-STZFKDTASA-N 439.464 5.022 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(OCC)cc2)[nH]c(N2CCC[C@H](C)C2)n1 1871529738 JQPHUZGQHNZUOE-FQEVSTJZSA-N 440.636 5.445 30 10 IKEE C=CCN([C@H](CC)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1cc(C)ccc1C 1871841622 UCMXLVMHGIAUCZ-JOCHJYFZSA-N 428.598 5.021 30 10 IKEE CC(C)COc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)c1 1872760119 HTOTUTOOADZCRG-HSZRJFAPSA-N 430.573 6.214 30 10 IKEE COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc(OC)c1OC 1872760211 JNRXOAREHNRFAI-IBGZPJMESA-N 444.512 5.479 30 10 IKEE N#C[C@@H](C(=O)c1c(F)cccc1Cl)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872762165 FDISOBKSHKWTLP-NSHDSACASA-N 425.699 6.399 30 10 IKEE CCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(OCC)cc3OCC)cs2)cc1 1872783807 IGWYMHKSGNPTMR-HXUWFJFHSA-N 436.533 5.496 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@@H](C#N)C(=O)CCCOc2ccccc2)n1 1872789025 WSQYLZIWENAIIJ-SFHVURJKSA-N 426.925 5.508 30 10 IKEE CCCCCCCCCCNc1ncnc2c1ccc(=O)n2-c1cc(NC(C)=O)ccc1C 1873542096 JSFHGJXZADUERU-UHFFFAOYSA-N 449.599 5.600 30 10 IKEE CCCCCCCCNC(=O)c1cc2c(N3C[C@@H](C)C[C@@H](C)C3)ncnc2n1CCCC 1873580894 OBKGSZDKJJHVHN-OYRHEFFESA-N 441.664 5.804 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)cc2)cc2c(NCc3ccccc3Cl)ncnc21 1873605483 DGFYAENSZQLBPX-UHFFFAOYSA-N 431.927 5.444 30 10 IKEE C=CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1cccc(OCC)c1 1874244808 OLZGJGVNLOOKOH-YZSQISJMSA-N 436.625 5.596 30 10 IKEE CCCCC1CCC(c2nnc(SC)n2/N=C/c2ccc(OC(C)C)c(OC)c2)CC1 1874284048 MSRYKZOAPAZLPF-PCLIKHOPSA-N 444.645 6.142 30 10 IKEE C=CCSc1nnc(Cc2ccc(OCC)cc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874304289 QRTLNZUMIIWBCZ-CVKSISIWSA-N 446.498 5.447 30 10 IKEE Cc1cccc(CSc2nnc(COc3cccc(C)c3C)n2/N=C/c2ccco2)c1 1874322026 WMJSKRSLGLYIBD-AFUMVMLFSA-N 432.549 5.550 30 10 IKEE COc1ccc(Cc2nnc(SCc3cc(C)ccc3C)n2/N=C/c2cccnc2)cc1 1874349413 KOAVVAHZVARLEF-JVWAILMASA-N 443.576 5.064 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2/N=C/c2cccc(F)c2)c1 1874356981 JZTIQLFVTJVUAG-LQKURTRISA-N 444.579 6.108 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1cccs1 1874398578 BHJPOMPGCQVETK-GCMSVZMUSA-N 439.009 6.319 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2C2CCCC2)cc1 1874451505 BPKJWZZKAMJRHM-YZSQISJMSA-N 434.609 6.207 30 10 IKEE CCCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1cc(C)ccc1O 1874479339 WBGSVAXPEVLFIT-WYMPLXKRSA-N 449.407 6.116 30 10 IKEE Cc1ccc(CSc2nnc(C(C)(C)C)n2/N=C/c2cccc(Br)c2)cc1 1874481444 WEKNHJYMCHHYPB-YDZHTSKRSA-N 443.414 5.821 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2ccc(C(C)C)cc2)cc1C 1874510310 MPKVSDYWVKPGGW-VULFUBBASA-N 449.624 5.755 30 10 IKEE COc1cc(/C=N/n2c(SCc3cccc(C)c3)nnc2C2CC2)ccc1OC(C)C 1874516167 JPBDTRLQJCRSNA-AFUMVMLFSA-N 436.581 5.434 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc(Cl)cc1 1874516931 HTSWUEKADXQRQN-AUEPDCJTSA-N 439.799 6.536 30 10 IKEE CSc1nnc(C)n1/N=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1874529127 SVRYTZWCUCVUCR-WGOQTCKBSA-N 444.560 5.349 30 10 IKEE O=C(/C=C/c1c(OCc2ccccc2F)ccc2ccccc12)c1ccc2c(c1)CCCC2 1874571688 AEXZWXMJTYOGLN-WUKNDPDISA-N 436.526 7.333 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 1874572009 RLQJXFOLXDIBRS-UKTHLTGXSA-N 437.366 7.347 30 10 IKEE O=C(/C=C/c1c(OCCc2ccccc2)ccc2ccccc12)c1ccc(Cl)cc1Cl 1874573192 AEKHGUAHMOUPCX-BUHFOSPRSA-N 447.361 7.664 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1OCc1cccc(C)c1 1874573364 JUYZNOSIJIPNPC-FMIVXFBMSA-N 427.327 6.786 30 10 IKEE COc1cccc(/C=C/C(=O)c2cccc3ccccc23)c1OCC(=O)Nc1ccccc1 1874583181 AXKIUVXJMXHJJH-ISLYRVAYSA-N 437.495 5.762 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cccc(OCC(=O)Nc2nccs2)c1 1874600583 TXYRPMNUYLYVPP-VOTSOKGWSA-N 442.924 5.027 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2)c(C)c1 1874601768 BVBJBXXJQRKNMQ-UKTHLTGXSA-N 430.460 5.125 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)c1 1874605678 ZWGWKXFRNKLAHW-XYOKQWHBSA-N 435.907 5.571 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(OC)c1OCc1cccc(Cl)c1 1874609298 JODLCFYKQCBNNS-NTEUORMPSA-N 448.946 6.561 30 10 IKEE C=CCOc1c(Br)cc(/C=C/C(=O)c2ccc(OCC)cc2)cc1OCC 1874615434 XWLODGQHKHETQN-KPKJPENVSA-N 431.326 5.707 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OCc1cc(C)ccc1C 1874618564 IEYULQISNWZZFS-BUHFOSPRSA-N 440.583 7.132 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OCC(=O)OCC(C)C 1874622607 LXNQMNCXVJCWSG-RIYZIHGNSA-N 438.564 5.857 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2Cl)c1 1874625263 UYSNZLJIKJFDCG-VZUCSPMQSA-N 437.898 6.010 30 10 IKEE C[C@H](NC(=O)COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1Cl)c1ccccc1 1874625294 WJTHQHUEMRBOJX-BNXPMYBGSA-N 437.898 5.631 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c(C)c3)c2)c1 1874696140 KMLYKPIUNDQHJR-CSKARUKUSA-N 432.472 5.136 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OC(=O)[C@@H]1C[C@H]1c1ccccc1Cl 1874703122 ZTEXAEFSCBDZCO-WMNQZJELSA-N 446.930 6.262 30 10 IKEE COc1ccccc1OCC(=O)Oc1cccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)c1 1874713211 LGJARCIBDACQMG-OUKQBFOZSA-N 446.499 5.201 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)CC3CCCCC3)c2)cc1Cl 1874716934 QAYFMBAKLKCERR-DHZHZOJOSA-N 442.939 6.129 30 10 IKEE CCCCCCC(=O)Oc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)ccc1OC 1874718603 ROCAGBFBYUYYHQ-FMIVXFBMSA-N 430.928 6.129 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cnccn2)c(Cl)c1)c1ccc(-c2ccccc2)cc1 1875078087 CTIAXXHFTQXXOV-WUXMJOGZSA-N 440.886 5.912 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)Cc1cccs1 1875094547 YCESFJIEBXDBLT-CSKARUKUSA-N 437.473 5.099 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(OC)c1OC(=O)c1cccs1 1875115056 KNDACWBBRMPHQA-MDWZMJQESA-N 434.513 5.609 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1)c1ccc(F)cc1F 1875120319 NVTFRBZGGPLLRU-XCVCLJGOSA-N 443.789 5.642 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)c1ccc(C)cc1 1875120405 SFJKOLZDSYOVRL-IZZDOVSWSA-N 438.426 5.406 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)c1cccc2ccccc12 1875127497 INVZDVGDTQUDID-FOCLMDBBSA-N 438.479 5.972 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(OC)cc3OC)cc2)cc1 1875129447 CMOXNKDAHWOKNB-FRKPEAEDSA-N 446.499 5.147 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2OC)cc1 1875134028 JGHUSNGGWLKOLD-NTEUORMPSA-N 444.527 5.755 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccc(F)cc1 1875149294 IQQHYHLYJNOEPJ-OMCISZLKSA-N 446.518 6.637 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)Cc1ccccc1F 1875157858 RQTZKRJJWBLNFD-KPKJPENVSA-N 438.426 5.026 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)c2cccnc2)c(Cl)c1 1875161105 YSUOLWCQEGYKMU-JXMROGBWSA-N 449.934 6.156 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OC(=O)C(F)(F)F 1875165235 RQHUDIYKWJHUOD-SOFGYWHQSA-N 436.426 5.499 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3)cc2)cc1Cl 1875185884 TWRMVPZRZOJVRZ-FMIVXFBMSA-N 427.283 6.117 30 10 IKEE COCC(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1Br 1875189405 ORSSBHAEPQWVEF-QHHAFSJGSA-N 444.108 5.204 30 10 IKEE N#CC1(c2ccccc2)CCN(C(=O)c2ccc(C(F)(F)F)cc2C(F)(F)F)CC1 1890864867 SLRNXJBFAWPHGI-UHFFFAOYSA-N 426.360 5.422 30 10 IKEE N#C[C@@H]1CC12CCN(C(=O)c1ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c1)CC2 1891809841 QLMLWQVMJFAELE-QHCPKHFHSA-N 444.538 5.730 30 10 IKEE N#Cc1ccc(OC2CCN(C(=O)CCc3cccc(Oc4ccc(F)cc4)c3)CC2)cc1 1892338650 GWCDGBJBEDCOIL-UHFFFAOYSA-N 444.506 5.492 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1ccc(Br)c(C(F)(F)F)c1 1922065228 LFKPWSSCSARKDX-LJQANCHMSA-N 428.292 5.892 30 10 IKEE C=C(COCc1ccccc1)[C@H](CCC(C)(C)CCNC(=O)OC(C)(C)C)NCCC 1922071724 MZCSDAVMENSZRF-QHCPKHFHSA-N 432.649 5.849 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)OC(C)(C)C 1922085267 HPEACXAWAYFCPA-KIHHCIJBSA-N 428.617 5.306 30 10 IKEE C=C(COCc1ccccc1)[C@@H](N)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 1922095264 SEJKPUWXDMWAPL-HXUWFJFHSA-N 447.373 5.569 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1scc(Br)c1C 1923017885 FGENCQMZBOMUHO-HZPDHXFCSA-N 431.440 5.719 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)[C@H]2CCC[C@H]21 1926543292 WAEYGUFCVFTQHH-GLDPYIMESA-N 433.593 5.238 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1 1941061808 OUCDWFSDRJDVSC-CYFREDJKSA-N 431.577 5.568 30 10 IKEE C=C1CCC(C[C@H](CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)NCC)CC1 1947468523 DZMZMVQRALGFIR-XMMPIXPASA-N 429.649 5.128 30 10 IKEE C=C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)([C@H](C(=O)O)C1CC1)C(C)(C)C 1957759546 ZYSGKGAIEVGZCM-HOFKKMOUSA-N 433.548 5.607 30 10 IKEE C=CCCCC[C@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2009485667 XSDWDLFDNAQRCC-JYFHCDHNSA-N 429.649 5.270 30 10 IKEE CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2014634281 FOEQNVUPKXKIBU-YADARESESA-N 435.609 5.484 30 10 IKEE C[C@@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)[C@H](OCc2ccccc2)C1 2043773940 LZWBIKLKGBMLLM-RTGAMMJTSA-N 438.543 6.235 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(Cc2ccc(Cl)c(Br)c2F)C1 2047954812 WBPYMNNNOBQRQS-SFHVURJKSA-N 431.733 5.325 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NC)c2ccc(Br)c(Cl)c2F)C1 2077084231 VCVXZHJRFATSTH-HNNXBMFYSA-N 433.749 5.116 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@H](C#N)[C@@]1(C)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2078865862 MIAVDBLIQGXKOD-KBMIEXCESA-N 443.588 5.746 30 10 IKEE CC(C)(C)[C@H](c1ccc(C2CC2)cc1)n1nc(C2CC2)c(C#N)c1I 2079023224 RZKYNCWFTKJQNJ-IBGZPJMESA-N 445.348 5.750 30 10 IKEE Cc1cc(O)c([C@H](n2nc(C(C)C)c(C#N)c2I)C2(C)CC2)cc1C 2079946134 QWEUXPBQDHDWCF-SFHVURJKSA-N 449.336 5.195 30 10 IKEE CC(C)(C)n1nc(C(F)(F)F)c(-c2c(F)cccc2C(F)(F)F)c1Br 2080758597 DRTAPJXAWJZQBI-UHFFFAOYSA-N 433.165 6.244 30 10 IKEE CC(C)(C)OC(=O)N1CCCc2ccc(Nc3cc(Br)cc(C#N)c3)cc21 2162423529 QWIBMLNKGAKGME-UHFFFAOYSA-N 428.330 5.752 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc2c(c1)N(c1cc(Br)cc(C#N)c1)CCC2 2174810070 HVPKGPDJSMGYSW-UHFFFAOYSA-N 428.330 5.752 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](CNc2cc(Br)cc(C#N)c2)[C@H]2CCCC[C@@H]21 2179393625 SOOUPMIIJIAEKX-IPELMVKDSA-N 434.378 5.158 30 10 IKEE CCN[C@H](C#CP(C)(C)=O)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2218401709 JANGYQRPBFYBEC-MRXNPFEDSA-N 429.295 5.030 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Br)c([C@H](N)C#Cc2ccc(Cl)cc2)c1 2231005738 ZBQWVNZOSLQRKC-GOSISDBHSA-N 435.749 5.501 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)C[C@@H](NC(=O)OC(C)(C)C)C(C)C 2235736477 YHQQUKYTXATTEG-UYAOXDASSA-N 437.422 5.108 30 10 IKEE CC(C)(C)C#CC=CC[C@@H](N)c1cc(Br)ccc1I 2268815757 DUQVZYUOPNHAER-OAHLLOKOSA-N 432.143 5.049 30 10 IKEE N[C@@H](C#CC1CCCC1)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2274001656 OZSAVNXGEBXLPX-WNJJXGMVSA-N 441.571 5.399 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)cc(C(C)(C)C)c1 2288652742 QKUWAVHAVYDJPX-MOPGFXCFSA-N 439.438 5.867 30 10 IKEE CCOc1ccc2c(c1)SC(=CNN=Cc1ccc(OCc3ccccc3)cc1)N2C 2294149866 OAKMWEHGFGSNHW-UHFFFAOYSA-N 431.561 5.629 30 10 IKEE Cc1ccc(Nc2oc(C=C3SC(=S)N(CCc4ccccc4)C3=O)nc2C#N)cc1 2297497817 OEMWCMDAJUMLFI-UHFFFAOYSA-N 446.557 5.042 30 10 IKEE O=C1C(=Cc2cccc(Br)c2)SC(=Nc2ccccn2)N1C1CCCCC1 2314540947 BVJNBRSFMKLOKT-UHFFFAOYSA-N 442.382 5.781 30 10 IKEE O=C1C(=Cc2cc(Cl)ccc2O)SC(=NN=Cc2ccccc2)N1Cc1ccco1 2314818351 DAGVJYYTVJQEMV-UHFFFAOYSA-N 437.908 5.145 30 10 IKEE Clc1ccc(CSc2nnc(C3CC3)n2N=Cc2c[nH]c3ccccc23)cc1Cl 2320892075 AHHWVSBKZAYCPV-UHFFFAOYSA-N 442.375 6.118 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CC2)c1O 2320892114 BFNLKLOCRVICDE-UHFFFAOYSA-N 449.363 5.351 30 10 IKEE O=C1C(=Cc2cccc(Br)c2)Oc2c1ccc1c2CN(Cc2ccco2)CO1 2321962140 RLSXJQSQYBKNEP-UHFFFAOYSA-N 438.277 5.010 30 10 IKEE CCOc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN([C@H]1CCCC[C@@H]1C)C3 2322153098 FBBMPWPZZHSXIJ-UWJYYQICSA-N 433.548 5.741 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)O3)CN([C@@H]1CCCC[C@H]1C)CO2 2322153147 ISTDPIDYWOJCAF-FOIQADDNSA-N 434.492 5.250 30 10 IKEE CCCCCCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(CC)cc1)C3=O 2322192712 NWEFUMRJHYSALZ-UHFFFAOYSA-N 433.592 6.686 30 10 IKEE Cc1ccccc1C=C1Oc2c(cc3c(c2C)OCN(Cc2ccccc2Cl)C3)C1=O 2322305623 RWLWZSFCGOKOPR-UHFFFAOYSA-N 431.919 5.925 30 10 IKEE COc1cccc(C=CC(=O)c2ccc3c(c2)CCCC3)c1OCC(=O)Nc1ccccc1 2322341219 DCWMTDPTPHHJJJ-UHFFFAOYSA-N 441.527 5.488 30 10 IKEE COc1ccc([C@@H](C)N2COc3c(cc4c(c3C)OC(=Cc3ccco3)C4=O)C2)cc1OC 2322456907 ORDRQVOEHAOQBJ-MRXNPFEDSA-N 447.487 5.135 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2c(OCC(N)=O)ccc3ccccc23)cc1OCCC 2322502646 AIIYZZXIBLCLSB-UHFFFAOYSA-N 447.531 5.178 30 10 IKEE Cc1cc(OC(=O)c2ccccc2)cc2c1C(=O)C(=Cc1ccccc1Br)O2 2322659958 LNISZSVIBJVPCQ-UHFFFAOYSA-N 435.273 5.593 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(F)c(F)c2)c1OCc1ccc(C)cc1 2322781737 ISMREIRSNOFSQS-UHFFFAOYSA-N 428.862 6.410 30 10 IKEE CCOc1cc(C=NNC(=S)Nc2ccccc2)ccc1OCc1cc(C)ccc1C 2323047708 IBWBQYAPRDOAOC-UHFFFAOYSA-N 433.577 5.602 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OC(=O)c3cc4ccccc4oc3=O)c2C)C1=O 2323573688 HDXMEJSMGSALFT-UHFFFAOYSA-N 438.435 5.245 30 10 IKEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C)cc2)C3=O)c(OC)c1 2323768048 FXMPGWWYLBHLNO-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccccc1C 2323840504 KXTYWUSCWMRHLX-UHFFFAOYSA-N 442.555 6.606 30 10 IKEE COc1ccc(C=NNc2nc(-c3ccc(C)cc3)cs2)cc1OCc1ccc(C)cc1 2323844480 SMOOGQDWBYUQOO-UHFFFAOYSA-N 443.572 6.461 30 10 IKEE C=CCOc1c(Br)cc(C=CC(=O)c2ccc(C)cc2)cc1Br 2323896887 NJCJBQBGUGIZGM-UHFFFAOYSA-N 436.143 5.981 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc3ccccc23)cc(Br)c1OCCO 2324141156 VDLIQLGHXSRBFK-UHFFFAOYSA-N 441.321 5.268 30 10 IKEE Cc1c(OCCCOc2ccccc2)ccc2c1OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2324241183 PMMXUYYQKOTUMA-UHFFFAOYSA-N 431.444 5.367 30 10 IKEE CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1C)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2325086426 SXZIIACMUTYTIS-GOSISDBHSA-N 449.330 6.029 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccc(C(C)C)cc2)cc1 2325471170 ZTTDUGZKSXYVBH-UHFFFAOYSA-N 440.616 6.475 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(C(C)C)cc1 2325528872 FVCJOWRUWPTXOA-UHFFFAOYSA-N 427.017 6.572 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1OC(=O)CC(C)(C)C 2325715906 DUOYWLFMFDJPCE-UHFFFAOYSA-N 431.326 5.695 30 10 IKEE O=C(C=Cc1cccc(OC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)c1)c1ccc(F)c(F)c1 2325753629 JHUHQBJARJWTNZ-UXHICEINSA-N 438.857 6.223 30 10 IKEE CCOc1ccc(OCc2nnc(SCC)n2N=Cc2ccc(C(C)(C)C)cc2)cc1 2326660496 WCIDPHKMTJQYEQ-UHFFFAOYSA-N 438.597 5.548 30 10 IKEE CCCSc1nnc(COc2cc(F)ccc2F)n1N=Cc1ccccc1OC(C)C 2327484849 WNAITUZJDZNKSY-UHFFFAOYSA-N 446.523 5.307 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CCc2cccc(OC)c2)nnc1SCC(=C)C 2328636594 PJFAUAPLQWAUIL-UHFFFAOYSA-N 448.592 5.187 30 10 IKEE Cc1cccc(OCc2nnc(SCc3ccccc3F)n2N=Cc2ccccc2)c1C 2328848196 RLFQPUCXZWRFHJ-UHFFFAOYSA-N 446.551 5.788 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2-c2cccs2)cc1O 2330531251 QDNVWMZDSPKSRD-UHFFFAOYSA-N 436.562 5.204 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)c(F)c2)cc1)c1ccc(-c2ccccc2)cc1 2330595166 HILLOSWMQCBUHZ-UHFFFAOYSA-N 440.445 6.747 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)cc3)c(OC)c2)cc1OC 2330734582 VEZCOXCLLAGPRH-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)Cc3cc(C)ccc3C)c([N+](=O)[O-])c2)c1 2330785543 DVJYQKRWIBZABA-UHFFFAOYSA-N 445.471 5.264 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cccs3)c(OCC)c2)cc1 2330840729 CFQHGGNUOISRDB-UHFFFAOYSA-N 448.584 6.534 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SCCC)nnc2[C@H]2CCCO2)cc1OC 2330977100 SIHRDONKLFTVTJ-LJQANCHMSA-N 432.590 5.092 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)cc(Br)c1OC(=O)CC 2330980136 VQGYYNOZTSXTEN-UHFFFAOYSA-N 433.298 5.068 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1Cl)c1ccc(F)c(F)c1 2331092559 TUAGORNKWTUMPA-UHFFFAOYSA-N 434.772 6.012 30 10 IKEE COc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C2CCCC2)cc1 2331101177 UOXRPGLDEJTDBC-UHFFFAOYSA-N 444.963 5.911 30 10 IKEE Fc1cccc(Cl)c1C=Nn1c(SCCc2ccccc2)nnc1C(F)(F)F 2331141824 NGXSLSDUVPADTR-UHFFFAOYSA-N 428.842 5.306 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccco3)n2N=Cc2c(Cl)cccc2Cl)c1 2331183433 KLMRVELVXQFFTN-UHFFFAOYSA-N 443.359 6.328 30 10 IKEE COc1cc(C=Nn2c(SCc3ccccc3)nnc2-c2ccco2)cc(Cl)c1O 2331208293 LGNGOHHEMPQRGN-UHFFFAOYSA-N 440.912 5.080 30 10 IKEE COC(=O)c1ccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2C(C)(C)C)cc1 2331396954 QZAUULNOXPBQPR-UHFFFAOYSA-N 436.581 5.154 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C(C)(C)C)cc1 2331405117 SQVPCFVWFQZAHU-UHFFFAOYSA-N 441.044 6.701 30 10 IKEE O=C(CCOc1ccccc1)Oc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1Cl 2331557653 WLHJWERHDGLOGG-UHFFFAOYSA-N 442.845 5.889 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc(OC)c1OC(=O)C(C)C 2331592514 SLAHPPLUFYJGQY-UHFFFAOYSA-N 446.499 5.954 30 10 IKEE CCCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1N=Cc1cccc(Cl)c1 2331646735 AZBAAQDRURFZMB-UHFFFAOYSA-N 441.988 5.114 30 10 IKEE Cc1cc(Sc2cc(I)ccc2Br)c(C#N)c(C)n1 2338313591 SAWOELGPGUPQON-UHFFFAOYSA-N 445.123 5.088 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@H](C#N)c1c(Cl)ccc(Cl)c1Cl 2364578899 SCPGAOMQMFISNQ-INIZCTEOSA-N 431.791 7.171 30 10 IKEE CC1(C)OB(c2ccc(COc3cc(Cl)cc(Br)c3)c(F)c2)OC1(C)C 2369069181 MNRUNMQCOPYVEJ-UHFFFAOYSA-N 441.533 5.120 30 10 IKEE COc1ccc(Cl)cc1-c1nnc(SCC#N)n1-c1ccc(Oc2ccccc2)cc1 9023045 CKGLIUCYWPRNFU-UHFFFAOYSA-N 448.935 6.004 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(N(C)C)cc1 9761269 XSIUJHPKASYGPA-HSZRJFAPSA-N 446.934 5.497 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2sc3c(c2C(=O)OCC)CC[C@@H](C)C3)c1 20158695 AZDRTSQSPZZHIX-MRXNPFEDSA-N 440.609 6.140 30 10 IKEE Cc1ccc(CSc2n[nH]c(N/N=C/c3ccc(OCc4ccc(F)cc4)o3)n2)cc1 20424881 LMKTUTFOJLJOKN-WYMPLXKRSA-N 437.500 5.163 30 10 IKEE COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2)cc1OC 21223199 SLKJTZONLDJCJH-PPHZAIPVSA-N 426.516 5.683 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(Cl)c2)cc1 21238484 PIZNLDHAJQCANQ-XHCCPWGMSA-N 444.962 6.718 30 10 IKEE CN(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(F)c2)cc1 21254132 FABYKDNOCWVEQO-UZTOHYMASA-N 427.523 5.871 30 10 IKEE Cc1cccc(/N=C2\NC(=O)/C(=C\c3ccc(Sc4nc5ccccc5[nH]4)o3)S2)c1 33293966 WDDOOQVKKGTHIE-LDADJPATSA-N 432.530 5.507 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(OCCSc3ccc(Cl)cc3)cc2)SC1=S 33441617 QBNUNFNIAKLLDV-XMHGGMMESA-N 448.034 5.898 30 10 IKEE Cc1ccc([C@@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3C2(C#N)C#N)c(C)c1 33532257 KNQJMCSHVHVPRN-OYUWMTPXSA-N 429.523 5.588 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(Cl)cc2)cc1 34933661 ISUIONVKHTXZOO-NRFANRHFSA-N 437.879 5.110 30 10 IKEE COC(=O)c1ccc(/C=C/C(=O)c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 34955110 PXSQJPPKYVCRED-CNHKJKLMSA-N 442.511 5.886 30 10 IKEE C=C(Br)Cn1c([C@@H]2CC(=O)N(c3cccc4ccccc34)C2)nc2ccccc21 39826804 ORNIQKYZUQSTES-GOSISDBHSA-N 446.348 5.619 30 10 IKEE C=CCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cccc(C)c2)cc1 39876414 VMOKDKJHSFYMTI-DEOSSOPVSA-N 441.458 5.555 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCc4c(F)c(F)c(F)c(F)c4F)cc(C)c3C2=O)cc1 41436046 PMVLVUWOJMZLBW-IUXPMGMMSA-N 446.371 6.194 30 10 IKEE CC[C@@H]1CSC(=Nc2ccccc2)N1C(=O)c1ccccc1OCc1ccccc1C 96576475 IIGXAWNSQXYINQ-JOCHJYFZSA-N 430.573 6.229 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2 100348891 DOIJMOAFZJZRSY-IWHLBADBSA-N 449.591 6.796 30 10 IKEE CCCCCCCCCCCCCC(=O)N1CCNC(=O)[C@@H]1CC(=O)OCCCCC 100442155 BWJOYOTWBLQBFI-QFIPXVFZSA-N 438.653 5.138 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S/C1=N/c1nc(C)cs1 101129168 RTLYKFVWLUVXDR-OPZVMXLVSA-N 440.506 5.244 30 10 IKEE CCCCCCCCCCCCN1C(=O)[C@H](C)CN(C(=O)c2ccccc2)c2ccccc21 101908375 BRCLWNTWWDNBDB-XMMPIXPASA-N 448.651 7.237 30 10 IKEE CCOc1ccc2c(c1)S/C(=C1\C(=O)c3ccc(Cl)c4c(Cl)ccc1c34)C2=O 102605662 AENOFEOICSGDEY-PYCFMQQDSA-N 427.308 6.441 30 10 IKEE C=CCSc1ccccc1N[C@@H]1CCCc2sc(I)cc21 127952551 WIXLMRQAQRQYKF-CYBMUJFWSA-N 427.376 6.120 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccc(O)cc2)cc1 169960086 JGDYJHQQOHXMIK-XMMPIXPASA-N 427.500 5.354 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccccc2C)c1 170086285 GPKJWKJBJCDGCK-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccc(Cl)cc2)[C@@H]1c1ccco1)c1ccc(Cl)cc1 170096769 AQYAACPMTHFMDZ-HXUWFJFHSA-N 442.298 5.407 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2sccc2C)c1 170105732 KZWAKGXGVQNFDR-OAQYLSRUSA-N 449.528 5.247 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1cccs1)c1ccc(Cl)c(Cl)c1 170155416 ZTHYJHKLMFHJET-SFHVURJKSA-N 448.302 5.977 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccccn2)cc1 170172092 GYXXLABJHRSVTE-DEOSSOPVSA-N 442.515 5.270 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC(C)C)cc3)[C@H]2c2cccnc2)c1 170185636 PFBDHFAQAMPDJE-XMMPIXPASA-N 442.515 5.208 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccnc2)c1 170194097 MRBVQSNKHNCWER-HSZRJFAPSA-N 434.536 5.027 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccncc2)cc1 170201917 MTOFAURFHZVGEC-XMMPIXPASA-N 436.467 5.026 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccncc2)cc1C(C)(C)C 170211924 ZBVTWPOKDXWRAG-QHCPKHFHSA-N 448.563 5.299 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2ccccc2)c1 170229036 IMMHNPFPULDCHU-QHCPKHFHSA-N 449.453 5.537 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2c[nH]c3ccccc23)cc1 170256503 KVGPQIYQEPEXHT-XMMPIXPASA-N 444.531 5.476 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@H]1c1cccc(O)c1 170262999 WDRMYNCZVXTUEQ-HXUWFJFHSA-N 448.544 5.203 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccco2)c1 170279068 GIMCCSDBRXWHNL-DEOSSOPVSA-N 439.467 5.614 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2ccc(C)o2)c1 170300497 IQBTUBBJNGHEEN-QHCPKHFHSA-N 429.472 5.004 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]2c2ccc(OC(C)C)cc2)cc1 170473696 VYEMINQFJLOSLD-DEOSSOPVSA-N 437.536 5.388 30 10 IKEE COc1cccc(/C=C2/SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)c1OC 252626584 RBRZIZZMGSUBAI-GQUXDKRHSA-N 444.556 6.129 30 10 IKEE C=CCn1c(CNc2cccc3ccccc23)nnc1SCc1ccc(C(C)(C)C)cc1 253561309 BZIMHGQBHBCKOR-UHFFFAOYSA-N 442.632 6.819 30 10 IKEE CC1(C)CC[C@]2(C=O)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 257545805 STHRNDDZYFUIDO-SVGPYXQHSA-N 440.712 7.348 30 10 IKEE endogenous,in-man Cc1ccc(NC(=O)c2ccccc2OCc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 404961098 BUCMJOOZQPHHGK-UHFFFAOYSA-N 443.352 5.126 30 10 IKEE Cc1ccc([C@@H]2C(c3cccc(OCC(C)C)c3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526489609 WTSWUQVNSUHNDS-AREMUKBSSA-N 438.527 5.959 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2c(C)n(C)c3ccccc23)c1 526606197 ISJVTPKWWNRZFE-AREMUKBSSA-N 449.510 5.424 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)cc1 526773248 LKFMAEOGYBIDFZ-HSZRJFAPSA-N 449.909 6.385 30 10 IKEE CCOc1cccc(/C=N\n2c(CC)nnc2SCc2cccc(Cl)c2)c1OC 526811685 QZJQIZQNAJYGMT-QRVIBDJDSA-N 430.961 5.076 30 10 IKEE CCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1ccc(OC(C)C)c(OC)c1 526825284 RCBLIWUCDUHCTH-QFEZKATASA-N 442.560 5.340 30 10 IKEE CC(C)(C)c1ccc(NC(=O)N[C@H]2CCN[C@H](C(=O)/C=C/c3ccc(Cl)cc3)C2)cc1 586092092 VDPFAESXDIXKHV-SULXWAKGSA-N 439.987 5.162 30 10 IKEE CC(C)[C@H]1CC[C@@H](C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 698497276 MFEMDNZBVTUBQZ-PERKRYKHSA-N 435.406 6.545 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@H](C#N)c1csc(Br)c1 698959388 UDSDHTOKJINQLY-CQSZACIVSA-N 427.751 6.170 30 10 IKEE C[C@H]1CC(=Nc2cccc(Cl)c2Cl)c2cc(F)ccc2N1C(=O)c1ccc(F)cc1 1088670866 DXBUEJBMNKDSNK-ZDUSSCGKSA-N 445.296 6.831 30 10 IKEE CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)O[C@H](C#N)C=C(c1ccccc1)c1ccccc1 1088677680 FSFJZCNFYYQYLV-CZTZKLFOSA-N 426.343 6.145 30 10 IKEE CC1(C)[C@@H](/C=C(/Cl)C(F)(F)F)[C@H]1C(=O)/C=C/c1ccc(OC(F)(F)C(F)F)cc1 1616046854 RAEFVZKWZMVWIK-DHUJMHLRSA-N 444.774 6.463 30 10 IKEE CC(C)(C)c1ccc(C=NN=C2NC(=O)[C@H](Cc3cc(Cl)ccc3Cl)S2)cc1 1772741991 RTUKYGBVDKLXNC-SFHVURJKSA-N 434.392 5.455 30 10 IKEE O=Cc1cc(-c2c(F)c(F)c(F)c(F)c2F)nc(-c2c(F)c(F)c(F)c(F)c2F)c1 1848358714 WYKALFNQOWGCQB-UHFFFAOYSA-N 439.208 5.619 30 10 IKEE C=CCN(CC=C)c1cc(-c2cc3cnccc3c(N(CC)Cc3ccccc3)n2)ccn1 1857841050 USODQPCQFYJLNV-UHFFFAOYSA-N 435.575 5.897 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc(OCCC(=O)c3ccc(Br)cc3)c2)c1 1860132721 HYGJRSMXCPWQOD-UHFFFAOYSA-N 449.304 5.225 30 10 IKEE CCCCCCCCNC(=O)c1cc(CCc2ccccc2)n(-c2ccccc2Cl)n1 1862320107 ZZWVDHIHNOCIHQ-UHFFFAOYSA-N 438.015 6.401 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccccc2C)cc1 1862389833 OUBFGSMNNZCOKY-XMMPIXPASA-N 435.564 5.341 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2ccc(Cl)cc2Cl)cc1 1862394928 SGTCRYVHMXOSJC-NRFANRHFSA-N 446.374 6.324 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCC)cc1 1862440174 ULMDBGFBARZMHB-NRFANRHFSA-N 427.928 5.507 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(C(C)C)cc1 1862469071 DTKYDZQAQINHCF-LJQANCHMSA-N 428.326 5.171 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccccc2Cl)cc1 1862474018 JGMVUKGJKDSNOL-XMMPIXPASA-N 445.946 5.989 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 1862479780 PUMYBPUOAAENPK-DEOSSOPVSA-N 448.607 5.213 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCCOC(C)C)cc1 1862488620 DVKOAOUMSVMQEB-DEOSSOPVSA-N 435.564 5.259 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccc1 1862648699 IMLDFXJMWSUHTN-MQVPCNEGSA-N 425.528 5.997 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862661869 DSGWDKHONYTZNP-SANMLTNESA-N 439.555 6.151 30 10 IKEE Cc1cc(C)cc(OCCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2)c1 1862674291 LQFGXQZXJWCEQE-DEOSSOPVSA-N 445.490 5.100 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc(C)c1 1862687866 QRYRKSPDXGEPCD-URXFXBBRSA-N 435.564 5.941 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2cccc(C)c2)cc1 1862688543 YYAZXQJEUABLOO-VWLOTQADSA-N 441.527 5.215 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2cccnc2)=C(c2ccc(C)c(C)c2)C1=O 1863606749 MNTWDRCQUVJCAS-UHFFFAOYSA-N 447.623 5.709 30 10 IKEE CCCCCCCCNC1=C(c2ccc(OC(C)C)cc2)C(=O)N(Cc2cccnc2)C1=O 1863690905 XGCJRXUJWYOGAP-UHFFFAOYSA-N 449.595 5.099 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 1866029614 VYYJPMIVRGZFDF-AREMUKBSSA-N 441.744 9.004 30 10 IKEE CCCC[C@@H](NC(=O)/C=C(/c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1ccc(C#N)cc1 1866691574 UNYSTMUOBBGHHO-NPWCAHBGSA-N 429.564 5.282 30 10 IKEE CCCN(CCCN(C)C)c1cc(Nc2ccccc2C#N)nc(-c2ccccc2Cl)n1 1868419020 JHBGJFJMKYZGKH-UHFFFAOYSA-N 449.002 5.580 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N(CCC)CCC)nn1-c1cccc(Cl)c1 1870036608 UUINJIZYSSAZGR-UHFFFAOYSA-N 434.028 6.236 30 10 IKEE CCCCCCCCCCn1cc(C(=O)N[C@H](C)c2ccc(CC)cc2)c(O)cc1=O 1870115691 CXBCZLXEWGAEIY-HXUWFJFHSA-N 426.601 5.748 30 10 IKEE N#Cc1nnn(-c2ccc(Oc3ccccc3)cc2)c1NC(=O)c1ccc(C(F)(F)F)cc1 1870149074 KIANZHZUDZQTQJ-UHFFFAOYSA-N 449.392 5.202 30 10 IKEE CC(C)SCc1cc(=O)c(OCc2ccc(C#N)cc2)cn1Cc1ccccc1Cl 1870233163 DHMYTXLENUBEMH-UHFFFAOYSA-N 438.980 5.642 30 10 IKEE CCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSc1ccc(Cl)cc1 1870233255 GLKBGWHOYNYDDO-UHFFFAOYSA-N 438.980 6.045 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(OC)cc2)c(CN2CCC(C)CC2)cc1=O 1870414299 KLYKYRMIHSIDCT-UHFFFAOYSA-N 440.628 5.486 30 10 IKEE CCCCCCCOc1cn(CCCOC)c(CNc2cccc(Cl)c2C)cc1=O 1870830117 CXMUMSVYHDMVHX-UHFFFAOYSA-N 435.008 5.808 30 10 IKEE CC(C)CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc2cc[nH]c2c1 1871254921 LKFMVLHZBCNZPN-UHFFFAOYSA-N 440.547 5.438 30 10 IKEE CCCCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(N(CC)CC)cc1)C3=O 1871352273 YACJYQZWIFZOLW-UQQQWYQISA-N 434.580 5.881 30 10 IKEE CCc1ccc([C@H](C)N2COc3c(cc4c(c3C)O/C(=C\c3ccccc3C)C4=O)C2)cc1 1871360234 XWQPOXLJCGOWEF-YIRYVTQCSA-N 439.555 6.395 30 10 IKEE CC(C)(C)c1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc(F)cc4)ccc3C2=O)cc1 1871365983 MDTRRMXJPSGGFJ-YOVYXIJGSA-N 442.486 6.358 30 10 IKEE COc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4cc(C)ccc4C)ccc3C2=O)cc1 1871411494 HYMKACMJDJRYCT-DBXOKZBGSA-N 443.499 5.334 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OCc4cc(C)c(C)cc4C)c3C)C2=O)c1OC 1871417777 PXPTYMRWSPIGQR-QFEZKATASA-N 444.527 6.133 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(Cl)cc2C)[nH]c(N2CCCCCC2)n1 1871566681 CAFXCZBAJHWZIL-UHFFFAOYSA-N 445.055 6.152 30 10 IKEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1ccc(C)cc1 1871827594 SMOSBOYMADBIHW-DEOSSOPVSA-N 442.625 5.322 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(CCCC)cc1)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1871831394 IGPGQIKEHVPHKM-GBXCKJPGSA-N 442.625 5.259 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 1871891849 JUOVIDMPVSSQTF-XMMPIXPASA-N 442.625 5.232 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(-c2ccccc2C)cc1)C(C)C)S(=O)(=O)CCC 1872203760 QOFVDRFCLRWPRA-DEOSSOPVSA-N 442.625 5.243 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cccc(C)c1C)[C@@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872523332 GLATWIPDOGVCKX-GAJHUEQPSA-N 446.588 5.063 30 10 IKEE COc1ccccc1-c1csc([C@H](C#N)C(=O)/C=C/c2ccc(Cl)c(Cl)c2)n1 1872764117 ZYSJVEYRLJDAGR-LOWQCSRCSA-N 429.328 6.015 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(CCC)cc3)n2)cc1 1872769911 CTJHLRZRRFIUOT-JOCHJYFZSA-N 434.561 5.807 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@@H](C#N)C(=O)Cc3ccc(OC(C)C)cc3)n2)c1C 1872777958 AATCESFUPWHZQQ-QFIPXVFZSA-N 432.589 6.250 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@@H](C#N)C(=O)c3cc4ccccc4oc3=O)n2)c1C 1872781197 QHPZPMLEGPIBEB-IBGZPJMESA-N 428.513 5.640 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccccc3)n2)c2ccccc12 1872788339 HJNAXMOFEACENK-QFIPXVFZSA-N 442.540 6.007 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)n2)cc1Cl 1872789299 DOIGSBYQPLQBGX-YCOJEUHLSA-N 439.880 5.270 30 10 IKEE C=CCc1ccccc1OCc1ccc(C(=O)N2CCN(c3cccc(C)c3)CC2)cc1 1872870452 BITFCVMUSOWCKG-UHFFFAOYSA-N 426.560 5.265 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cccc(C#N)c2)=C(c2cccnc2)C1=O 1873265325 DJDRVSMCRYDGKH-UHFFFAOYSA-N 430.552 5.286 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C(C)C)cc2)cc2c(NCCCOCCCC)ncnc21 1873608323 VNAJZQRVHRTPET-UHFFFAOYSA-N 449.599 5.612 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)cc2)cc2c(NCCc3ccc(F)cc3)ncnc21 1873615681 CKJLOVVFNDMXAY-UHFFFAOYSA-N 449.917 5.317 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1ccccc1C 1874204329 VSESFRPEEAHLRC-BHGWPJFGSA-N 447.391 6.023 30 10 IKEE CCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1ccccc1OC(C)C 1874248695 SENQCGOVTGLBQV-KOEQRZSOSA-N 438.597 5.380 30 10 IKEE C=C(C)CSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccccc1Cl 1874269950 XNHAEWWYAKCARM-CVKSISIWSA-N 432.980 6.226 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SCCC)nnc2[C@H](C)c2ccccc2)cc1 1874399179 IWLCNKUODUFDEP-KHKYUJEISA-N 436.625 6.383 30 10 IKEE Clc1cccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2cccnc2)c1 1874408951 XVWOOIOEBMDXDK-MFKUBSTISA-N 425.989 5.624 30 10 IKEE Cc1cccc(/C=N/n2c(CC(C)C)nnc2SCC(=O)Nc2ccc(C)cc2C)c1 1874492524 RBJHSXATBKEJCI-AFUMVMLFSA-N 435.597 5.015 30 10 IKEE CCCOc1ccc(/C=N/n2c(CCC)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1 1874506415 BFDVGMOEVNEOKS-HZHRSRAPSA-N 439.541 5.102 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C2CC2)c1O 1874523219 HBMZGVOXFOKYMF-AUEPDCJTSA-N 449.363 5.351 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(C)nnc2SCc2ccc(Cl)c(Cl)c2)cc1 1874535548 MMYMWOYAMRAZSO-ZMOGYAJESA-N 448.423 5.914 30 10 IKEE CCOC(=O)c1ccc(COc2ccccc2/C=C/C(=O)c2c(C)c(C)cc(C)c2C)o1 1874587124 WKMFUJMDWXLNOF-ACCUITESSA-N 432.516 6.165 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc1OCc1ccccc1C 1874600445 MWDFAZJAFZTIRK-PKNBQFBNSA-N 436.935 6.449 30 10 IKEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc4ccccc4c3)cc2OC)o1 1874603025 HIPRAXXBNOMHBV-KPKJPENVSA-N 442.467 5.703 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OCC(=O)Nc1c(C)cccc1C 1874613141 FDRTXXCISCCFTG-ZRDIBKRKSA-N 449.934 5.879 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OCc1ccc([N+](=O)[O-])cc1 1874619207 PDFHPCZWAGXNRV-YRNVUSSQSA-N 433.460 5.396 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OCC(=O)Nc2cc(C)cc(C)c2)cc1 1874619950 BBUZANGYQQDTOP-DHZHZOJOSA-N 429.516 5.534 30 10 IKEE COC(=O)COc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1Br 1874622515 HHOWSBNWNNDFDN-VZUCSPMQSA-N 431.326 5.195 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1ccc(F)cc1 1874624970 FZXQSXXQHAUFEY-QDEBKDIKSA-N 445.715 6.717 30 10 IKEE CCCOc1c(OCC)cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1[N+](=O)[O-] 1874628029 IPIJQQDTHLIJCB-XNTDXEJSSA-N 447.487 6.471 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 1874704529 TXTVEBHXGMADAM-DHZHZOJOSA-N 431.444 5.336 30 10 IKEE CN(C)c1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 1874706002 KUKZYYBIXIIVJU-GIJQJNRQSA-N 427.544 6.165 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc1OC(=O)c1cccnc1 1874708774 UFTASNPXSPCERC-DHZHZOJOSA-N 445.515 5.512 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCOc3ccccc3)c2)c(C)c1C 1874711829 JDOBWPPVTKXFDO-WYMLVPIESA-N 430.500 5.583 30 10 IKEE Cc1ccccc1CCC(=O)Oc1cccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)c1 1874715520 FCAZLTDMYCNUCF-SAPNQHFASA-N 440.583 7.035 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2cccc(OC(C)C)c2)CSc2nnc(CC)n21 1874838659 QNQUYAYCRXSTAO-NRFANRHFSA-N 444.645 5.690 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3ccc(C)cc3)cc2)cc1 1875103553 DXJKCDYBPUHCEC-XDHOZWIPSA-N 428.528 6.218 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)c(C)c3)c(OC)c2)cc1C 1875108851 JNQRZAUDBOGQGO-DHZHZOJOSA-N 444.527 5.673 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3cccc(C)c3)cc2)cc1 1875113140 XWCFDFFAOZNFCT-LICLKQGHSA-N 430.500 5.664 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)c(F)c3F)c(Cl)c2)cc1 1875113863 BSPBTVJGMXCGNZ-WTDSWWLTSA-N 446.808 5.881 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)COc2ccc(Cl)c(C)c2)cc1 1875117959 KZHHBJUCQFNGGA-NTEUORMPSA-N 436.891 5.538 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)Cc1ccccc1 1875120121 CMMRFYXEHFSQAP-JXMROGBWSA-N 442.845 5.671 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 1875120398 RUSQXYJMJASULM-VQHVLOKHSA-N 446.543 5.722 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)c1ccccn1 1875124149 CLEGKBFOPPATMY-MDZDMXLPSA-N 442.298 5.902 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)C3CC3)c(OCC)c2)cc1 1875138623 SARKQPOZORWZAW-LFYBBSHMSA-N 428.912 5.739 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)CC(C)(C)C 1875141920 CFIGMKXLPJMFON-JXMROGBWSA-N 432.919 6.424 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OC(=O)C(C)C 1875149635 ZNEPFYWNIPGDGF-MDWZMJQESA-N 428.956 6.494 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)ccc1OC(=O)CC(C)(C)C 1875181961 FHUUTOARUPTUDY-VQHVLOKHSA-N 430.928 5.903 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)CCCCCC 1875184722 NEYDMVCIQHZJAJ-CCEZHUSRSA-N 448.603 7.121 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1Cl 1875189330 LEUWKKRKAQYAJL-UXBLZVDNSA-N 445.729 7.071 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cc(OC)c(OC(=O)c2ccco2)c(OC)c1 1875193093 SBOFDNTWAWVFOD-SOFGYWHQSA-N 442.851 5.074 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N1C[C@@H](C)C[C@@H](C)C1)n2C 1875197251 LNWOLGGIYOJMMW-BGYRXZFFSA-N 427.637 5.639 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(CNC(=O)OC(C)(C)C)CC12CCC2 1922093220 ATASNNQRXSVTCK-BKMJKUGQSA-N 428.617 5.213 30 10 IKEE CCCCCCCCC[C@@H](NC)c1c(Br)sc(Br)c1Cl 1923080173 CHSZUTPJDJLBJT-LLVKDONJSA-N 445.692 7.328 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc([C@](C)(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)c1 1940970390 IRKOOEAXORLGGN-FQEVSTJZSA-N 443.466 5.572 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@H](NC(=O)OC(C)(C)C)C(C)C)cc1 1941060684 DLMBRORZIXLDBA-DVECYGJZSA-N 431.577 5.568 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)C1C[C@H]2C[C@@H]2C1 2004668376 PUZDBZLUPRAJCA-CJTFWIGWSA-N 428.617 5.067 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@H](C#N)[C@@]1(C)CCCN1C(=O)OC(C)(C)C 2020799427 VYFLJGNISRVXGN-NTKDMRAZSA-N 435.609 5.628 30 10 IKEE C=CCCCCCCCC[C@H](N)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2026314744 VQAMLYPSYLNXNU-BJKOFHAPSA-N 431.665 5.646 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2031501537 ZQNUAWICUUTYLL-NTKDMRAZSA-N 447.551 5.687 30 10 IKEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(C)cc1 2045240008 JWOSMPSFYXYUFS-DFBJGRDBSA-N 443.588 5.666 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C1(C)C 2053052466 QDLBVRBANURVJO-GYCJOSAFSA-N 447.551 5.400 30 10 IKEE C=C1CC[C@H]2[C@@H](C(C)C)C3=C(O[C@]2(C)CC[C@@H]2[C@@H]1CC2(C)C)C(C)(C)C(=O)C(C)(C)C3=O 2069594019 QMZJPVXGSLVTEM-DXMWYQIPSA-N 440.668 6.915 30 10 IKEE C#CC(C)(C)C[C@@H](N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071362188 ZVYFOLHTPBNMSM-SHQCIBLASA-N 429.560 5.255 30 10 IKEE C#CC[C@H](C)C[C@H](NCCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2076099331 OYEZMBJZDAQIFH-DPPGTGKWSA-N 442.644 5.248 30 10 IKEE CC(C)c1ccc([C@@H](n2nc(C(C)C)c(C#N)c2I)C2(C)CC2)cc1 2079902002 BBIRIFPLAXCQLC-LJQANCHMSA-N 447.364 5.996 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)C(C)(C)C1CCCCC1 2151426314 LXRUVPMGIYSITA-LJQANCHMSA-N 435.406 6.689 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@]2(C#N)Nc2ccc(Br)cc2)C1 2156252166 UBSSXGYEZLTWBT-NHCUHLMSSA-N 434.378 5.325 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCC2(CCOCC2)C1 2159746156 RDYPXLMYLJZCAG-NRFANRHFSA-N 435.362 5.434 30 10 IKEE CC(C)(C)OC(=O)NCCc1ccc(CNc2cc(Br)ccc2C#N)cc1 2162418595 TYIYKWUITVCOKH-UHFFFAOYSA-N 430.346 5.000 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1ncoc1C1CCC1 2169516145 YOTOELNMHZLJCP-INIZCTEOSA-N 432.318 5.711 30 10 IKEE C#CCCN(C(=O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1)C1CCCC1 2180045841 OPFRVRZSKCOBGF-UHFFFAOYSA-N 435.362 5.204 30 10 IKEE Cc1ccc(NC(=O)OC(C)(C)C)c(Cl)c1Oc1cc(Br)cnc1C#N 2229899813 HZZCFWLVTSFOCW-UHFFFAOYSA-N 438.709 5.817 30 10 IKEE CCCCC#CC[C@H](NC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237407610 SKSIFKUSAFOFMT-PMACEKPBSA-N 437.422 5.057 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2257339276 KBGQXZSQAGWLRP-LWTKMMONSA-N 447.620 5.532 30 10 IKEE C[C@@H](N(Cc1ccccc1)C(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1)C(C)(C)C 2266986900 RUBRVGGBOURPDA-GOSISDBHSA-N 439.380 5.202 30 10 IKEE C[C@@](O)(c1cc(Br)c(Br)s1)C1(C#N)CCC(F)(F)CC1 2281187455 BHNPGWLPVBQZTR-LLVKDONJSA-N 429.124 5.200 30 10 IKEE CC(C)(C)OC(=O)N[C@H](C[C@@H](O)C#Cc1cccc(Br)c1)C1CCCCC1 2296220137 VHHKNMAVDYVMOX-VQTJNVASSA-N 436.390 5.025 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)c1csc(CNC(=O)OC(C)(C)C)c1 2296310019 DGKQCCPYZFKYDO-LJQANCHMSA-N 449.414 5.238 30 10 IKEE C#CCN1c2ccccc2C(=O)N(N=Cc2ccccc2Cl)[C@H]1c1ccccc1Cl 2296650825 RYQLOXXXEGROOQ-QHCPKHFHSA-N 434.326 5.622 30 10 IKEE CCOc1ccc2ccccc2c1C=C1SC(=Nc2cccc(Cl)c2Cl)NC1=O 2313511478 ZCCLSQXVNASTBK-UHFFFAOYSA-N 443.355 6.437 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(=Cc1cccc(Br)c1)C2=O 2314437898 ZUNLOUDVNOZSON-UHFFFAOYSA-N 435.273 5.593 30 10 IKEE Cc1ccc(C)c(N=C2NC(=O)C(=Cc3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)S2)c1 2314557617 UHNQGDQHJWEIGP-UHFFFAOYSA-N 433.489 5.672 30 10 IKEE Clc1ccc(COc2ccc(C=NNc3ccc(Cl)c(Cl)c3)cc2)c(Cl)c1 2321718133 HIKOBNYWOSAYKL-UHFFFAOYSA-N 440.157 7.325 30 10 IKEE Cc1ccc(COc2ccccc2C=Nn2c(S)nnc2Cc2ccc(C)c(C)c2)cc1 2321998490 CEZNNWSQRCBAQG-UHFFFAOYSA-N 442.588 5.544 30 10 IKEE Sc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1c(Cl)cccc1Cl 2322238532 SDFFFUAEPDXMMW-UHFFFAOYSA-N 441.771 5.421 30 10 IKEE COc1ccc(C=C2Oc3c(cc4c(c3C)OCN([C@H]3CCCC[C@@H]3C)C4)C2=O)cc1OC 2322391624 GDWZXYZRAFXVGS-KKSFZXQISA-N 449.547 5.359 30 10 IKEE Cc1cccc(CN2COc3c(cc4c(c3C)OC(=Cc3c(F)cccc3Cl)C4=O)C2)c1 2322432508 SZRBHNAXWXDFBU-UHFFFAOYSA-N 449.909 6.064 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2ccccc2C)c(C)c1 2322572856 BTDBGOJWTZFNKL-UHFFFAOYSA-N 433.935 6.179 30 10 IKEE Cc1cc(OC(=O)c2ccccc2F)cc2c1C(=O)C(=Cc1cn(C)c3ccccc13)O2 2322788466 ALQIETSMILMOFT-UHFFFAOYSA-N 427.431 5.461 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3c(C)cccc3C)c2)c1 2323068409 KZQKJCZKOSHLGF-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE O=C(C=Cc1ccc(OCc2nc(O)c3ccccc3n2)cc1)c1ccc2ccccc2c1 2323395497 BGUYZFLIKJJVQC-UHFFFAOYSA-N 432.479 5.964 30 10 IKEE Cc1cc(OC(=O)Cc2cccc3ccccc23)cc2c1C(=O)C(=CC=Cc1ccccc1)O2 2323400750 SVGJTMMVJWKPJT-UHFFFAOYSA-N 446.502 6.469 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OCCc1ccccc1 2323419944 XWIGGKVQVMOBSK-UHFFFAOYSA-N 442.555 6.100 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O)C(Cl)=Cc1ccccc1 2323438358 YHLAQDJWRHMJGO-UHFFFAOYSA-N 447.830 5.396 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)cc1 2323464723 APVDCRVFZOWYRO-UHFFFAOYSA-N 433.935 6.124 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(CC)cc3)cc2OC)cc1 2323485643 KDFSYBLGHSQTTR-UHFFFAOYSA-N 443.543 5.734 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OCc3cccc4ccccc34)c(Cl)c2)ccc1F 2323969289 HAUJEPVHFPQBQC-UHFFFAOYSA-N 430.906 7.416 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc(O)c2CN(Cc2ccccc2)C(C)C)C1=O 2324011967 OPUSNAVJLYVVQG-UHFFFAOYSA-N 429.516 5.428 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OCC(=O)NC1CCCCC1 2324151814 MTLLTDZFKSAAOY-UHFFFAOYSA-N 443.543 5.572 30 10 IKEE C=C(C)COc1c(Br)cc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OC 2324169982 DEQMJOMUERZMGA-UHFFFAOYSA-N 429.354 6.432 30 10 IKEE Cc1ccccc1C=C1Oc2cc(O[C@H](C)C(=O)Nc3cc(Cl)ccc3C)ccc2C1=O 2324510227 CVCKHUPAILAPHL-QGZVFWFLSA-N 447.918 5.979 30 10 IKEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3cc(C(C)(C)C)ccc3C)cc2)o1 2324571050 SGFVXYWDUPOLDJ-UHFFFAOYSA-N 432.516 6.147 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCCOc4ccc(C(C)(C)C)cc4)cc(C)c3C2=O)o1 2324691188 NORVJOADUAUSEL-UHFFFAOYSA-N 432.516 6.268 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1ccc2c(c1)OC(=Cc1ccccc1Cl)C2=O 2325092616 ZCWHERMCNQPFDL-NRFANRHFSA-N 442.939 6.237 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1cc(C)c2c(c1)OC(=Cc1ccc(F)cc1)C2=O 2325092877 DSCKIJIUCWQFIT-OAQYLSRUSA-N 440.511 6.031 30 10 IKEE Cc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1 2325477299 YTLALXVTULPUDY-UHFFFAOYSA-N 443.532 5.260 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1N=Cc1cccc(OC)c1OC 2325525883 JIOQIPQSMUTADL-UHFFFAOYSA-N 444.988 5.466 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccc(F)c(F)c3)cc(C)c2C1=O 2325528796 JJEZEAGZNQZOHL-UHFFFAOYSA-N 435.426 5.215 30 10 IKEE CCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1c(Cl)cccc1Cl 2325610394 ZCCDJBDBQCCLOP-UHFFFAOYSA-N 425.772 5.975 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1c(Cl)cccc1Cl 2325610783 AHVLQGUDFGIBFE-UHFFFAOYSA-N 443.762 6.114 30 10 IKEE CCCCc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccncc2)C3=O)cc1 2325719940 BUKLNXIZFHTXFA-UHFFFAOYSA-N 442.515 5.366 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2)cc1OC(=O)c1ccc2cc(Cl)ccc2n1 2325731794 SJKLRAKNZHCPBD-UHFFFAOYSA-N 443.886 6.012 30 10 IKEE COc1ccc(OCCCC(=O)Oc2cccc(C=CC(=O)c3cc(C)ccc3C)c2)cc1 2325740626 RHZDBDMQKAXBST-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1OC(=O)c1cccc(Cl)c1 2325746153 KHUKREQAEADYRN-UHFFFAOYSA-N 448.946 6.761 30 10 IKEE COc1ccccc1CC(=O)Oc1cccc(C=CC(=O)c2cc(Cl)ccc2Cl)c1 2325773586 DFWHUYAXPFNENX-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE C=CCSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1ccc(N(C)C)cc1 2326399310 OCTLIJQLMKRYLJ-UHFFFAOYSA-N 449.624 5.133 30 10 IKEE Cc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2cc(C)cc(C)c2)cc1 2326418253 ISGHSEWSQXPZOO-UHFFFAOYSA-N 440.616 6.163 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2326450676 AUGATSKTTOOWHV-UHFFFAOYSA-N 439.541 5.026 30 10 IKEE C=C(C)CSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1ccc(C(C)C)cc1 2328156013 LQZCRWJTGGIVKM-UHFFFAOYSA-N 438.685 7.416 30 10 IKEE C=CCSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1ccccc1OCCC 2328568617 JKKVZEDQXRNKMS-UHFFFAOYSA-N 436.581 5.217 30 10 IKEE CCCSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1cc(Cl)ccc1O 2328964795 ZUMYTQIVHQRHIL-UHFFFAOYSA-N 428.989 5.423 30 10 IKEE CCCCCOc1ccc(C=Nn2c(COCc3ccccc3)nnc2SCC)cc1 2329323079 TWLOIJYFTPFOBB-UHFFFAOYSA-N 438.597 5.558 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2cccc3ccccc23)n1N=Cc1ccccc1 2330127241 VFDJDBKWUVWTMH-NRFANRHFSA-N 448.595 6.758 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccccc3F)nnc2-c2ccccc2)cc1 2330672036 IZXQSSWQEQTBCV-UHFFFAOYSA-N 432.524 5.657 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)ccc1OC(=O)Cc1ccc(F)c(C)c1 2330794703 OTXHCNBMEITQQR-UHFFFAOYSA-N 448.490 5.586 30 10 IKEE CC(C)(C)C(=O)Oc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 2330889104 GPSUFERUCDRXRB-UHFFFAOYSA-N 432.270 5.205 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2sccc2C)cc1 2331046303 ALURIRWCHFKRAV-UHFFFAOYSA-N 439.610 5.227 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)c2ccccc2[N+](=O)[O-])c(Cl)c1 2331063807 YPGCURITUXTLET-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE CCc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CCCC2)cc1 2331086497 XRSQVYLTVZCYEF-UHFFFAOYSA-N 425.001 6.326 30 10 IKEE Fc1ccccc1C=Nn1c(SCc2ccc(Cl)c(Cl)c2)nnc1C1CCCC1 2331093080 LQICIHWYDJVPGX-UHFFFAOYSA-N 449.382 6.556 30 10 IKEE Oc1ccc(Cl)cc1C=Nn1c(SCc2ccc(Cl)cc2)nnc1C(F)(F)F 2331150352 NXAYBTBFMGPUDO-UHFFFAOYSA-N 447.269 5.484 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Br)c(OC(=O)C3CC3)c(OC)c2)cc1 2331205388 NFDLIUSODIPRFU-UHFFFAOYSA-N 445.309 5.068 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3OC)cc2OC)cc1 2331376686 HUGGWRPFCGCIKY-UHFFFAOYSA-N 446.499 5.065 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)c1cccs1 2331668656 KRBPSOZIWDMMGT-UHFFFAOYSA-N 436.529 5.888 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2OC)cc(Cl)c1OC(=O)C(C)C 2331726291 RRYAKAUNUUWRLF-UHFFFAOYSA-N 432.900 5.213 30 10 IKEE Cc1scc(CNc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)c1Br 2369749673 GUDPDDXGWLXEPP-CMDGGOBGSA-N 435.196 5.471 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1nc3ccccc3n1[C@@H]2c1cc(Cl)ccc1OC(F)F 4786565 AWKYQUZCZATWAC-HXUWFJFHSA-N 443.881 5.949 30 10 IKEE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccn1)C1=C(C[C@H](c3cccs3)CC1=O)N2 18199855 FWIDXZPEWAYOTL-GKVSMKOHSA-N 438.556 5.595 30 10 IKEE CC(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@@H]3c2cccs2)cc1 19630324 KQHDPXTYVWFADI-NIYFSFCBSA-N 439.584 6.637 30 10 IKEE COc1cccc(/C=C2/Oc3cc(OCc4ccc(F)cc4Cl)ccc3C2=O)c1OC 33875746 XZSUCGBZQMNCIV-LSHDLFTRSA-N 440.854 5.692 30 10 IKEE COc1ccccc1C(=O)Oc1ccccc1/C=C/C(=O)c1ccc(Br)cc1 34954739 ZFPSJZFSMGROMN-NTCAYCPXSA-N 437.289 5.573 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)Cc3ccc(SC(C)C)cc3)ccc21 38707302 RIGJFUMATLOAHC-UHFFFAOYSA-N 438.593 5.306 30 10 IKEE N#Cc1nc(-c2ccc(OCc3ccc(Cl)cc3)cc2)oc1N1CCc2ccccc2C1 39841623 UWQOXBJPIDLIAP-UHFFFAOYSA-N 441.918 6.008 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc4c3CN([C@@H](C)c3ccccc3)CO4)C2=O)cc1 41656028 MPJHJVUKOZFAJN-AOBKZXEFSA-N 427.500 5.615 30 10 IKEE O=C1/C(=N/N(Cc2ccccc2)c2ccccc2)c2ccccc2N1C/C=C/c1ccccc1 59153621 SDWSFYNDOKFALP-QJOFIBMGSA-N 443.550 6.158 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(CN4CCCC[C@H]4C)c(O)cc(C)c3C2=O)cc1 62957636 SXLILBICLYSEJN-VKINRBECSA-N 434.580 5.537 30 10 IKEE CCCCCCCCCCOc1ccc(C2=N/C(=C\c3ccc(N(C)C)cc3)C(=O)O2)cc1 97997152 XMXNZCXFQZHIET-QLYXXIJNSA-N 448.607 6.617 30 10 IKEE CCCCCCCCCCCCCCCCNC(=S)NC(=O)c1ccccc1Cl 100068017 BHFVMLDEGWTPCD-UHFFFAOYSA-N 439.109 7.426 30 10 IKEE CCCCCCCOc1ccc(NC(=O)CNc2ccc(C(=O)NC(C)(C)C)cc2)cc1 100100151 JRIFYEYMTSGPFR-UHFFFAOYSA-N 439.600 5.615 30 10 IKEE CCCCCCCOc1ccccc1[C@]1(C)Nc2ccccc2C(=O)N1C[C@H]1CCCO1 100141084 RYDHWEQYJCFAJT-JIPXPUAJSA-N 436.596 5.955 30 10 IKEE CCCCCCCOc1cccc(NC(=S)NC(=O)/C=C/c2ccc(OCC)cc2)c1 100309530 AYWFANMDILBTDK-SAPNQHFASA-N 440.609 5.961 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1OC 100444438 GNCLOZRCBNMRHW-UHFFFAOYSA-N 437.606 6.118 30 10 IKEE CCCCCCCCCCCCCCCCCCCCCC(=O)NCc1ccccc1 100461891 DBHGVPVKXIQHQQ-UHFFFAOYSA-N 429.733 9.125 30 10 IKEE Cc1ccc(C(=O)O/N=C2/C[C@@]3(C(=O)Nc4ccc(C)c(C)c4)CC[C@@]2(C)C3(C)C)cc1 100963260 VZGVNUPGXNMRGF-QXOXRTFWSA-N 432.564 5.980 30 10 IKEE CCCCCCCCn1c(CCNC(=O)C23CC4CC(CC(C4)C2)C3)nc2ccccc21 101906986 RDZKAGCZMKXECG-UHFFFAOYSA-N 435.656 6.272 30 10 IKEE CC1(C)C(=S)N(c2ccccc2)/C(=N/C23CC4CC(CC(C4)C2)C3)[C@@H]1N1CCCCC1 102221868 BFXNDGFLRBLEOC-SXHXIUBKSA-N 435.681 6.082 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)/C(=C(\O)c4ccc(F)cc4)[C@@H]3c3ccco3)sc2c1 103107067 FULXJBHGTYQXPN-LCPUNJGISA-N 448.475 5.217 30 10 IKEE COc1ccc(/C=C\C(=O)c2nc3ccccc3n2Cc2ccccc2Cl)c(OC)c1 108678226 DXFKNFZSPGMPRA-OWBHPGMISA-N 432.907 5.651 30 10 IKEE SCC1(COc2c(Br)cc(Br)cc2Br)CCC1 127130323 RWWBQLHELTUFAH-UHFFFAOYSA-N 445.014 5.453 30 10 IKEE CN1C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=C2C=CC(=O)C=C2)c2cc(Cl)ccc21 137019339 IJEUIRDNQUQMFU-XMMPIXPASA-N 440.930 5.077 30 10 IKEE CCCCCCCCCCOC[C@H](O)CN(CCO)C(=O)CCCCCCCCC 138601874 FCYDPCFJNPIPDW-XMMPIXPASA-N 429.686 5.466 30 10 IKEE CCOc1cc([C@H]2NC(=S)N(CC)C(C)=C2C(C)=O)ccc1OCc1ccccc1C 169933232 ACBQIDSBEMFBFF-XMMPIXPASA-N 438.593 5.087 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccc(O)cc2)c(C)c1 169960008 QCKPAPVXUWFTGE-DEOSSOPVSA-N 443.499 5.109 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(OC)cc3)[C@H]2c2cccc(C)c2)cc1 169972005 GEXMXOXYLPBGAF-VWLOTQADSA-N 441.527 5.345 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2cccs2)cc1 169985021 WSLSIXUMZMXYEE-HXUWFJFHSA-N 439.920 5.583 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccs2)c1 169989112 OOQDFKOLOYFEHG-HXUWFJFHSA-N 439.920 5.189 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(C)c(C)c2)=C(N(CC)Cc2ccccc2)C1=O 170001574 SMVIAGUAUHCZTB-UHFFFAOYSA-N 446.635 6.266 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2c2ccccc2)cc1 170028995 GSHXZXSUFHZPMX-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc(O)c2)cc1 170079487 OFMGCHUSSKBRPP-QHCPKHFHSA-N 447.918 5.952 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1cccc(O)c1)c1cccc(Cl)c1 170081463 NUTQHWPNIVYJLQ-HXUWFJFHSA-N 440.282 5.482 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2OC)cc1C(C)C 170126013 HSXJGIJWWMWAOI-DEOSSOPVSA-N 449.547 5.348 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccc(C)c2)cc1C 170142930 NJTAMWSWEGCRDW-RUZDIDTESA-N 441.527 5.793 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccnc2)cc1C(C)C 170185569 FZQCXOODFAFZEV-XMMPIXPASA-N 442.515 5.305 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@@H]2c2ccncc2)cc1 170204569 SADDLPCCTWFQBR-DEOSSOPVSA-N 442.515 5.269 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@H]2c2ccncc2)cc1 170204571 SADDLPCCTWFQBR-XMMPIXPASA-N 442.515 5.269 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@@H]1c1ccc(O)c(Cl)c1 170219898 ABXOZSYBEKSFEE-NRFANRHFSA-N 443.927 5.049 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccccc1 170227311 XHIKTTKXEURDTL-JOCHJYFZSA-N 447.918 5.748 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(Cl)cc1)c1ccc2ccccc2c1 170235278 UCKXYUNXYITJJB-DEOSSOPVSA-N 439.898 6.276 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4)[C@H]3c3ccc(F)cc3)oc12 170239680 HYQHGPGHIOJSNO-QFIPXVFZSA-N 443.430 5.363 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(C(C)C)cc1 170244803 LCFKZBNYHCKPDW-RUZDIDTESA-N 443.543 5.578 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2c[nH]c3ccccc23)s1 170254413 MDXVTMBRVOQRON-FQEVSTJZSA-N 429.501 5.024 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@@H]1c1ccco1)c1ccc(Cl)cc1 170287296 MMOJUSJGSKIMQQ-JOCHJYFZSA-N 429.859 5.869 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2c2ccc(C#N)cc2)o1 170305081 MVERIBJXRZUBFP-HSZRJFAPSA-N 442.471 5.030 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1Cc1cccs1 170312689 WUUSXJCSYWOIBK-NRFANRHFSA-N 445.565 6.050 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2sccc2C)c1 170314806 RJQLXBGLSJXDIQ-NRFANRHFSA-N 433.529 5.628 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)cc(Cl)c2OC)[C@H]1c1sccc1C 170318950 HIPALYWVHYIDPE-HNNXBMFYSA-N 440.348 5.360 30 10 IKEE Cc1cc2sc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@H]3c3ccccn3)nc2cc1Cl 170480303 YYDYRJDHHONXKW-LJQANCHMSA-N 441.940 5.168 30 10 IKEE N#Cc1ccc(Nc2c(Br)cccc2Br)c(Br)c1 232130155 ZAZIYXJLOZORIX-UHFFFAOYSA-N 430.925 5.589 30 10 IKEE Oc1cc(O)c(C=Nc2ccc3sc(-c4ccccc4)nc3c2)cc1Br 252608335 HJILGPZMXYAJAD-UHFFFAOYSA-N 425.307 5.888 30 10 IKEE CCc1ccc(N=C2S/C(=C/c3cccc(O)c3)C(=O)N2c2ccc(CC)cc2)cc1 252629577 UJJWFTAXTQKUBM-DNKROPNVSA-N 428.557 6.326 30 10 IKEE COc1ccc(OCCOc2cc(C)cc(C)c2)c(C=NNc2nc3ccccc3s2)c1 254825592 JJJVQTBILMJABN-UHFFFAOYSA-N 447.560 5.826 30 10 IKEE CCN1/C(=C2\SC(=Nc3ccc(C)cc3)N(C3CCCCC3)C2=O)Sc2ccccc21 254855036 CHSNQBDGKGXTSF-CJKMRZRNSA-N 449.645 6.692 30 10 IKEE CCOc1ccc([C@@H]2C(c3cccc(OCC)c3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526606177 IDEHKNQMDBYQII-RUZDIDTESA-N 440.499 5.413 30 10 IKEE COc1ccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 526803026 PQRYOCRTRNXJDH-PKAZHMFMSA-N 446.551 5.386 30 10 IKEE CCCCCCCCCC[C@@H](COC(=O)CCC)Sc1ccc(O[C@H](C)CC)cc1 585664438 IXSVKMXYLUJZCA-RDGATRHJSA-N 436.702 8.199 30 10 IKEE C=CCCN(Cc1ccc(C(=O)O)cc1)S(=O)(=O)c1ccc(CCCCCC)cc1 586181771 RNJHGJLUOBMCIL-UHFFFAOYSA-N 429.582 5.275 30 10 IKEE C[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)CCN1C(=O)OC(C)(C)C 698888490 COLWHDNQSUFFCX-QMHKHESXSA-N 449.979 5.763 30 10 IKEE N#Cc1nc(-c2cccc(Br)c2)c(-c2cccc(Br)c2)nc1Cl 725332635 YIUIUBFJIPBKEG-UHFFFAOYSA-N 449.533 5.861 30 10 IKEE Cc1ccc(N=Cc2cc(Br)cc(Br)c2O)c(Br)c1 1084093068 NFWKQXDLXAQRGY-UHFFFAOYSA-N 447.952 5.739 30 10 IKEE COc1ccc(COc2ccc(C=NNc3nc(SCc4ccc(C)cc4)n[nH]3)o2)cc1 1084329165 NKBCKFSNDZBPQV-UHFFFAOYSA-N 449.536 5.032 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=Nc1ccccc1 1084420469 QSZMDHXFLDWPAM-QQAFOXPBSA-N 431.473 5.645 30 10 IKEE C=CCCN(CC(=O)Nc1nc(C)c(Cc2ccc(C)cc2)s1)OCc1ccccc1 1653339946 NRKYVINPRXYNRM-UHFFFAOYSA-N 435.593 5.299 30 10 IKEE CC(C)c1ccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)nn2Cc2ccccc2F)cc1 1859398496 AGSAEDUTQGLQCQ-UHFFFAOYSA-N 438.506 5.985 30 10 IKEE N#Cc1ccc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n(-c3cccc(Cl)c3)n2)cc1 1859410998 KKCLZNPSUSEIDJ-UHFFFAOYSA-N 443.850 5.225 30 10 IKEE CCCCOc1ccc(N(C(=O)c2cccc(C#N)c2)[C@@H](C)CCc2ccccc2)cc1 1859993271 BSBJHXYNFOCSSC-QFIPXVFZSA-N 426.560 6.405 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc(Nc2ccccc2)cc1 1860729783 PPRGUTYZEZMRFG-XMHGGMMESA-N 448.522 6.230 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCC)NC(=O)CCCOc1ccc2ccccc2c1 1861697008 GKNZPNZLQOTMNC-VWLOTQADSA-N 440.628 5.760 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)c1ccc(F)c(F)c1F)c1ccccc1 1861786577 QLOZBUJGPYGHSB-HSZRJFAPSA-N 448.529 5.832 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc([N+](=O)[O-])cc1 1862383408 JXOYPXWZBHXXNY-BBATYDOGSA-N 449.290 5.278 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccccc2C)cc1C 1862400409 DDPRKWCRKUEBEW-VWLOTQADSA-N 447.575 6.003 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2Cl)[C@@H]1c1ccccc1)c1ccccc1Cl 1862429897 XGLZBRYWBIHSCE-OAQYLSRUSA-N 438.310 5.772 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc2cc[nH]c2c1)c1cccc(Cl)c1 1862446654 XLRJPVKXMVPGHI-NRFANRHFSA-N 448.931 5.661 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1cccc(OCCC)c1 1862461390 DORLWRYENGFXSQ-NRFANRHFSA-N 447.453 5.271 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2CC)cc1 1862465308 AZVCSMZBJRHKLH-NRFANRHFSA-N 447.453 5.271 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(F)cc2F)c1 1862491392 RUASFURINTZXNJ-DEOSSOPVSA-N 447.481 5.403 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2c(F)cccc2Cl)ccc1F 1862505828 SYYKWMQBWIKNAD-HXUWFJFHSA-N 443.833 5.298 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCCc2ccccc2)c1 1862508021 XINDOQPTDCRILA-VWLOTQADSA-N 443.518 5.654 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2cccc(OCC)c2)cc1 1862519447 KIZXRXWSVFELDP-QHCPKHFHSA-N 437.536 5.108 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1ccc(C)cc1 1862575849 HAKLTJQFIOLCCB-QHCPKHFHSA-N 437.536 5.171 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(CC)cc1 1862590785 PXZXBAWSIIWLGR-URXFXBBRSA-N 435.564 5.892 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCOC(C)C)cc1 1862614073 XGIIUFHABNNIMW-QHCPKHFHSA-N 435.564 5.296 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1cccc(F)c1)c1cccc2ccccc12 1862649785 GMZMROVVLRYFQH-QHCPKHFHSA-N 443.499 5.819 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CCCC2)c1 1862664987 VRITUCGNEBVVDA-XMMPIXPASA-N 433.548 5.730 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(Cl)cc2Cl)c1 1862705646 CYLYOIVJBLWHCZ-FQEVSTJZSA-N 446.330 5.523 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc([N+](=O)[O-])c1 1862718360 YTZIDKBPXNGICT-HSZRJFAPSA-N 444.487 5.372 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(C(C)C)c(C)c3)C2=O)cc1 1862898742 GWORFBKRVQDVGH-UHFFFAOYSA-N 435.527 5.695 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3cccc4ccccc34)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1863031096 WFXGGRLKGQNTCP-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE CCCCCCCCNC1=C(c2ccc(F)cc2F)C(=O)N(CCc2ccccc2)C1=O 1863650426 DNANAZUBDKVGMG-UHFFFAOYSA-N 440.534 5.238 30 10 IKEE C=CCOc1ccccc1OCC(=O)Nc1sc(C)c(-c2ccccc2)c1C(=O)OC 1865935298 VAUVLFVEEOEJHD-UHFFFAOYSA-N 437.517 5.092 30 10 IKEE Cc1ccc2cc3c(nc2c1)N(c1cc(Nc2ccccc2C#N)nc(C(C)(C)C)n1)CC3 1868350958 QMPDIHFASJJEKU-UHFFFAOYSA-N 434.547 5.940 30 10 IKEE CC(C)c1ccc(-n2nnc(C#N)c2NC(=O)[C@H](Cc2ccccc2)c2ccccc2)cc1 1870147720 DUSCBSJLUKNDAS-XMMPIXPASA-N 435.531 5.227 30 10 IKEE CCCCCCCOc1cn(CCCCC)c(CN(CCCC)CCCCCC)cc1=O 1870412184 YUUOXRWCGRGUNB-UHFFFAOYSA-N 448.736 7.570 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)OCC(C)C)c(=O)cc1CN1CCCC1 1870425440 KYJRKKVWORIDGL-UHFFFAOYSA-N 448.648 5.163 30 10 IKEE C=CCOc1cn(CCC2=CCCCC2)c(CNc2cc(C(C)C)cc(C(C)C)c2)cc1=O 1870813677 WDHBUIKSQXTDEI-UHFFFAOYSA-N 448.651 7.163 30 10 IKEE CCCCCCCOc1cn(CCCC)c(CNc2ccc(Cl)c([N+](=O)[O-])c2)cc1=O 1870832555 ZGUPBEKZCDMISF-UHFFFAOYSA-N 449.979 6.171 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(O)cc2)c(CNc2cccc(C)c2C)cc1=O 1870839298 GOXRTLIFCWCPOD-UHFFFAOYSA-N 448.607 6.180 30 10 IKEE CCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CNc1ccc(C)c(Cl)c1 1871058392 CGWQZUNVKKPSAC-UHFFFAOYSA-N 445.047 7.128 30 10 IKEE C=CCn1cc(OCc2ccccc2F)c(=O)cc1CNc1ccc(Cl)c(Cl)c1 1871243933 CYCFVBBVRKEIOF-UHFFFAOYSA-N 433.310 5.671 30 10 IKEE Cc1ccc(C)c(CN2COc3cc(C)c4c(c3C2)O/C(=C\c2cccc(Cl)c2)C4=O)c1 1871349333 OTUAJZNYWUSQGE-MSXFZWOLSA-N 445.946 6.234 30 10 IKEE COc1ccc([C@H](C)N2COc3cc(C)c4c(c3C2)O/C(=C\c2cccc(C)c2)C4=O)cc1 1871353943 BUFUOMBQNIBRAH-ILRHRSLTSA-N 441.527 5.841 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCCCOc4cccc(C)c4)cc(C)c3C2=O)cc1 1871405742 OKVWKZQOFQWIRF-ONUIUJJFSA-N 428.528 6.330 30 10 IKEE CC[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1cc(Br)cc3c1OCOC3)C2=O 1871421310 MQFXSGPDLNXLBE-ZUWLAJTLSA-N 431.282 5.109 30 10 IKEE Cc1cc(O[C@H](C)C(=O)Nc2ccc(C#N)cc2)cc2c1C(=O)/C(=C/c1ccccc1F)O2 1871436008 JLSSAFPWKGEQBU-HNEZCVDCSA-N 442.446 5.028 30 10 IKEE N#Cc1ccccc1COc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O 1871437032 GKKIBYFTAWEQNK-JJFYIABZSA-N 432.273 5.516 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O)Nc1nc2ccccc2s1 1871442764 SYBMBOWMTGASES-JAIQZWGSSA-N 446.459 5.069 30 10 IKEE CC(C)=C1Oc2c(ccc(OCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2C)C1=O 1871459111 PBEYLBQKZOJYBU-UHFFFAOYSA-N 439.817 5.554 30 10 IKEE NC1=C(c2nc(-c3ccccc3)c(-c3ccccc3)s2)C(=O)CN1CCc1cccs1 1872725604 RFQBESXMJJQLRS-UHFFFAOYSA-N 443.597 5.293 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(Br)c3)n2)cc1C 1872765000 DLVXZZCCZYDNMB-MRXNPFEDSA-N 427.323 5.380 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@H](C#N)C(=O)c2cc([N+](=O)[O-])ccc2Cl)n1 1872781138 PJAUCXSCZNLMOP-MRXNPFEDSA-N 441.896 5.487 30 10 IKEE COc1cccc(OC)c1C(=O)[C@H](C#N)c1nc(-c2ccc(OC)c3ccccc23)cs1 1872788501 JQAQPIZCTIUFOX-SFHVURJKSA-N 444.512 5.479 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H]2CCCC[C@H]2C)=C(c2cccc3ccccc23)C1=O 1873027094 QSVRXYMOIQLZKC-BWKNWUBXSA-N 446.635 6.449 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)c(C)c2)cc2c(NCc3cccc(C)c3)ncnc21 1873617946 QMCYSUSLCWLSFF-UHFFFAOYSA-N 445.954 5.752 30 10 IKEE CCCSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1ccc(F)cc1F 1874223859 GXXFGUVTZSKDTK-WGOQTCKBSA-N 444.551 5.515 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2cccc(F)c2)cc1 1874303545 DQMKZYPLWIGZKI-WPWMEQJKSA-N 446.551 5.581 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3F)n2/N=C/c2ccco2)c(C)c1 1874327498 QTPDVUZBBMFVDT-DHRITJCHSA-N 436.512 5.381 30 10 IKEE Fc1cccc(/C=N/n2c(COCc3ccccc3)nnc2SCCc2ccccc2)c1 1874355319 IXNWOTKFZMUOIA-WPWMEQJKSA-N 446.551 5.351 30 10 IKEE CCCSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874367787 OMPSLOYHYNKPER-SRZZPIQSSA-N 436.324 5.544 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3ccccc3Cl)nnc2[C@@H](C)c2ccccc2)c1 1874395801 WBPYQWSGRQUMSA-FQNOVECQSA-N 447.007 6.566 30 10 IKEE C(=N/n1c(CCc2ccccc2)nnc1SCc1cccc2ccccc12)\c1ccc[nH]1 1874404750 NVLAATSDXMYCRX-MTDXEUNCSA-N 437.572 5.719 30 10 IKEE Cc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1 1874407002 AEDSSHMDTMYLIY-PCLIKHOPSA-N 449.580 5.792 30 10 IKEE Oc1cccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2-c2cccs2)c1 1874424085 UCJQIJBHAOOKQS-MFKUBSTISA-N 442.569 6.040 30 10 IKEE Cc1cccc(CSc2nnc(CC(C)(C)C)n2/N=C/c2ccc(C(C)(C)C)cc2)c1 1874437813 UYWFAFFNFIQMOX-WPWMEQJKSA-N 434.653 6.647 30 10 IKEE C=CCSc1nnc(C2CCCC2)n1/N=C/c1ccc(OCCCC)c(OCC)c1 1874456958 SJHBOMGGDOCEOT-JJIBRWJFSA-N 428.602 5.674 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(C3CC3)n2/N=C/c2cccc3ccccc23)cc1 1874518260 KYSYUVOSANOLAD-ZVHZXABRSA-N 429.505 5.391 30 10 IKEE CCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874524341 JSJRQVWYAVBEOT-MFKUBSTISA-N 435.597 5.059 30 10 IKEE CC(C)(C)c1cc(/C=N/n2c(S)nnc2CC2CCCCC2)cc(C(C)(C)C)c1O 1874560799 PSRHFIFGGHZBSD-MFKUBSTISA-N 428.646 5.872 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2cc(C)cc(C)c2)cc1OC 1874572140 XWVPSAFOHQEQCD-PKNBQFBNSA-N 445.515 5.234 30 10 IKEE Cc1cccc(COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(Cl)cc2Cl)c1 1874573424 NIJGBCZNJQLPSD-WEVVVXLNSA-N 431.746 7.430 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(F)c(C)c2)c1OCC(=O)Nc1ccc(C)c(C)c1 1874581535 RXSBVVQJKKCMKU-JLHYYAGUSA-N 447.506 5.673 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1OCC(=O)OCC(C)C 1874596444 OCUUACIRSQDKBC-XBXARRHUSA-N 437.319 5.476 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OCC(=O)NC1CCCCC1 1874597527 RDXZMEANPQLYAC-OQLLNIDSSA-N 435.564 5.542 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1 1874602409 KPPQLIAFGCYOML-SFQUDFHCSA-N 435.523 6.370 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc(OC)c1OCCCO 1874628146 OADPWIPPGKNMDF-LFIBNONCSA-N 444.527 5.873 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OCCc2ccccc2)c([N+](=O)[O-])c1 1874629397 APDZBDPLLUMKAG-PKNBQFBNSA-N 431.488 5.738 30 10 IKEE CCOc1ccc(/C=C/C(=O)c2cc(Cl)c(OC)cc2OC)cc1Br 1874631099 KHSCXPNWTZPUOF-FNORWQNLSA-N 425.706 5.415 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)cc1Cl 1874636254 RIMWIHLKOTZICU-UKTHLTGXSA-N 449.934 5.879 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1F 1874668810 OJUYARQILQCSDZ-XMMPIXPASA-N 437.559 5.125 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(F)c(F)c2F)c1)c1cccc([N+](=O)[O-])c1 1874692553 MPLKLJRJKZLRPE-JXMROGBWSA-N 427.334 5.127 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(OC(=O)C(C)C)c(OC)cc2Br)cc1 1874694745 RXPOIJISLOMOOR-ZHACJKMWSA-N 431.326 5.478 30 10 IKEE Cc1cc(C(=O)/C=C/c2cccc(OC(=O)[C@H]3C[C@H]3c3ccccc3Cl)c2)ccc1F 1874703925 ODZVOWDDSDQWNB-DYXITNMZSA-N 434.894 6.393 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccccc3Cl)c2)cc1Cl 1874716621 ANSJJPZQWWOCMF-PKNBQFBNSA-N 427.283 6.117 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Br)cc2)cc(Br)c1O 1874719085 ACSCFXKELGJCHT-FPYGCLRLSA-N 426.104 5.212 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(OCC)cc2)CSc2nnc(C(C)C)n21 1874856146 MGVKDCSVYYAFKC-OAQYLSRUSA-N 444.645 5.862 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3cccc(OC)c3)cc2OC)cc1 1875104003 BCSBMROMUKYCFQ-GXDHUFHOSA-N 446.499 5.147 30 10 IKEE Cc1cc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3Cl)cc2)ccc1F 1875104195 LAYDYIDUANHPFU-VZUCSPMQSA-N 443.301 6.485 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)cc3)c(OC)c2)cc1 1875107747 HHLCXKXCQVJHFN-MHWRWJLKSA-N 446.518 6.221 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(CCCC)cc2)cc(OC)c1OC(=O)[C@H]1CCCO1 1875108112 YLSYKEFGZUCFPS-XOJXFWDVSA-N 448.559 5.747 30 10 IKEE O=C(CC12CC3CC(CC(C3)C1)C2)Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1 1875111630 MXFGJNPCTIEJPY-JXMROGBWSA-N 434.963 6.748 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)c1cnc(C)cn1 1875123580 TVLMBNDFSYYBJW-VOTSOKGWSA-N 443.286 5.216 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OC 1875125505 MCKWUURWYKITNQ-NTUHNPAUSA-N 436.891 5.401 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)[C@H]1CCCO1 1875132569 IYQWJOXKKICFBT-MVHVFESUSA-N 435.303 5.373 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3C)cc2)c1 1875145564 MWYZXCYOHWSPMW-XNTDXEJSSA-N 430.500 5.447 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)CCOc3ccccc3)c(Cl)c2)cc1 1875155300 BDQVTWRTIKHFPO-RIYZIHGNSA-N 448.946 6.734 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)CCCSC)cc1 1875161541 VPQRLHMTATYHDD-GXDHUFHOSA-N 426.578 5.937 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@]1(CCC)CCCN(C(=O)OC(C)(C)C)C1 1922090832 CUYSPDMNRRTQCX-ZEQKJWHPSA-N 430.633 5.555 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)cc1 1929715587 XWYMZUDELOMNBL-NRFANRHFSA-N 437.540 6.036 30 10 IKEE Cc1cc(Br)c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)s1 2029266492 DKPDMUOCMWCEKG-OAHLLOKOSA-N 425.323 5.965 30 10 IKEE CC(C)[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)CN1Cc1ccccc1 2029760968 DWMPMXYUCVJTLM-SHQCIBLASA-N 439.644 6.139 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCCC[C@@H]2NC(=O)OC(C)(C)C)cc1 2031500746 YIDWBUQJGCBMEK-CPJSRVTESA-N 443.588 5.856 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)c1 2032001616 WUUUHWJDQGECAW-RRQZXNHTSA-N 443.588 5.664 30 10 IKEE CCCCCCCCC[C@H](NCCC)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2034429053 DODWEJVQIPHRRJ-DQEYMECFSA-N 448.692 6.605 30 10 IKEE CC1(C)CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)[C@@H](OCc2ccccc2)C1 2043774169 DJZNGGUTBIKQKN-HOFKKMOUSA-N 440.628 6.614 30 10 IKEE CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2067959396 RKPVJHJXWHMHFS-NLFFAJNJSA-N 449.636 5.874 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C12CC2 2070832536 MXKDIJDQMMBETR-RUZDIDTESA-N 447.620 5.772 30 10 IKEE Cc1ccc([C@@H](n2nc(C3CC3)c(/C=N/O)c2I)C2(C)CC2)c(C)c1 2079032952 MLUOHCJDHNMTDL-NMONLQQWSA-N 449.336 5.180 30 10 IKEE C[C@@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)F)c(C=NO)c1Br 2079861555 KRHHXZLIVHBGED-LURJTMIESA-N 430.146 5.159 30 10 IKEE CCOc1ccc([C@@H](C(C)C)n2nc(C3(C)CC3)c(C#N)c2I)cc1 2080106562 ZYYBXIDVMDKHNP-QGZVFWFLSA-N 449.336 5.055 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Cl)cc(Br)c1 2136654766 BKQABDCBMHEMFK-ROUUACIJSA-N 445.829 6.003 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@]2(Nc3cc(Br)c(C#N)cc3F)CCC[C@@H]12 2162333884 HUPRJRGSFINQFG-YLJYHZDGSA-N 438.341 5.194 30 10 IKEE CCN(c1ccc(C#N)cc1Br)[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 2174808496 OWISXNGFXQMWSE-SJLPKXTDSA-N 436.394 5.231 30 10 IKEE C[C@@H](c1ccccc1Oc1cc(Br)cnc1C#N)N(C)C(=O)OC(C)(C)C 2198833231 CYKWGCWQPMUXKQ-ZDUSSCGKSA-N 432.318 5.436 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1sc(C)c(Br)c1C 2218930726 GHPRZLSCEDWQNN-GOEBONIOSA-N 431.440 5.638 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)CN(C(=O)OC(C)(C)C)C(C)(C)C 2235726681 KCQVKTRBMCBVPV-GOSISDBHSA-N 437.422 5.204 30 10 IKEE C=CCCCCCC[C@H](N)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237409052 LPGWQPWSFDAHET-PMACEKPBSA-N 439.438 5.739 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](O)c1sc(Cl)cc1Br 2259957546 HTXPCQALASHCOH-QZTJIDSGSA-N 444.822 5.339 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)c1c(Cl)cccc1Br 2275117698 CKXTUIIVRJKBIM-HXUWFJFHSA-N 439.733 5.408 30 10 IKEE C=CC[C@@H](C)[C@H](OCCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2276656327 LGKQBTNHQSSENV-BTYSJIOQSA-N 445.603 6.463 30 10 IKEE CC(C)(C)OC(=O)Nc1cc([C@H](O)C#Cc2ccc(Br)cc2)ccc1Cl 2278794179 SQIMMDJVGVDTLY-GOSISDBHSA-N 436.733 5.535 30 10 IKEE O[C@@H](C#Cc1ccc(Br)cc1)c1ccc(Br)c(Br)c1 2278794822 ZEBZNULMTFKVRO-HNNXBMFYSA-N 444.948 5.059 30 10 IKEE CCCc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)cc1 2283523541 QUWURKZEHGILBD-HXUWFJFHSA-N 429.358 6.408 30 10 IKEE CN(Cc1ccc(CNc2c(Br)cccc2C#N)cc1)C(=O)OC(C)(C)C 2285238885 YKIFMGSPNZPVMJ-UHFFFAOYSA-N 430.346 5.300 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)CC#CC1CCCC1 2289841636 HTSKATZOAUYKPF-IBGZPJMESA-N 434.374 5.038 30 10 IKEE FC(=NC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F 2295356321 DVQXCHAOWHNHSQ-UHFFFAOYSA-N 433.061 5.613 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)C[C@H](C)CCNC(=O)OC(C)(C)C 2296266142 DVHPTBZUIFGADK-YLJYHZDGSA-N 437.422 5.110 30 10 IKEE CCC[C@H](CCNC(=O)OC(C)(C)C)CC[C@H](O)C#Cc1ccc(Br)cc1 2296282530 XWXQXEMUVMPVFA-PXNSSMCTSA-N 438.406 5.273 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H](C[C@@H](C)CC)NC(=O)OC(C)(C)C 2296310548 LAQUHIJBKAWVAQ-PWIZWCRZSA-N 437.422 5.108 30 10 IKEE Cc1ccccc1N=C1SC(=C2C(=O)Nc3ccccc32)C(=O)N1c1ccccc1C 2296879834 FOZMYJZSCDZMOL-UHFFFAOYSA-N 425.513 5.434 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@H](C#N)[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 2304191621 VJBAGNNIVYZEKY-RTBURBONSA-N 427.545 5.110 30 10 IKEE CCN1C(=O)C(=Cc2cccc(OCc3ccc(Cl)cc3)c2)SC1=Nc1cccnc1 2314542057 RTSBYUYQQZCYST-UHFFFAOYSA-N 449.963 5.938 30 10 IKEE COc1cccc(C=C2SC(=Nc3ccncc3Cl)N(C3CCCCC3)C2=O)c1 2314543268 ZPIRBWWGAZMBNH-UHFFFAOYSA-N 427.957 5.680 30 10 IKEE N[C@H](C#CC1CCC1)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2315708563 UYTZUXKGODWYJW-NAKRPHOHSA-N 427.544 5.009 30 10 IKEE N#Cc1nc([C@H]2C[C@H]2c2ccccc2)oc1NN=Cc1ccccc1OCc1ccccc1 2320837429 VHQSYICHHYRWDB-GOTSBHOMSA-N 434.499 5.842 30 10 IKEE CCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1N=Cc1cccc2ccccc12 2320959090 WGQKHUBGTRSGMR-UHFFFAOYSA-N 443.576 5.224 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(F)cc1)O3)CN(Cc1cccc(Cl)c1)CO2 2322214242 AXAHIZUZLZHQEQ-UHFFFAOYSA-N 435.882 5.756 30 10 IKEE C=C(C)COc1ccc(Br)cc1C=CC(=O)c1ccc(Cl)cc1Cl 2322381405 OAYCLERQHDYIBM-UHFFFAOYSA-N 426.137 6.607 30 10 IKEE C=CCOc1c(C=CC(=O)c2ccc(Cl)cc2Cl)cc(Br)cc1OC 2322391165 YQRBBZHPHOKWHP-UHFFFAOYSA-N 442.136 6.225 30 10 IKEE Cc1ccc(C)c(CN2COc3c(cc4c(c3C)OC(=Cc3ccccc3C)C4=O)C2)c1 2322413001 RNOMTADFMSMDDW-UHFFFAOYSA-N 425.528 5.889 30 10 IKEE O=C(COc1ccccc1C=CC(=O)c1ccc(Br)cc1)NC1CCCCC1 2322416501 QPDKPVASFYMYNJ-UHFFFAOYSA-N 442.353 5.173 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2c(OCC(=O)N(CC)CC)ccc3ccccc23)cc1 2322607404 VDFRBDGHTLVWNN-UHFFFAOYSA-N 445.559 5.772 30 10 IKEE CCCOc1c(C=CC(=O)c2ccc(OC)cc2OC)cc(Br)cc1OC 2322906452 WVMRKVXNHLKHRL-UHFFFAOYSA-N 435.314 5.160 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(OC)c3ccccc23)c1OCc1ccc(F)cc1 2323020022 MDGFYCHEIDENNH-UHFFFAOYSA-N 442.486 6.471 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2Cl)cc1OCC(=O)N[C@H](C)c1ccccc1 2323087221 VFJUMOHDHIOISZ-GOSISDBHSA-N 449.934 5.501 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OC(=O)c4cccc([N+](=O)[O-])c4)c3C)C2=O)cc1 2323310285 NWDUYRFATNABQT-UHFFFAOYSA-N 429.428 5.301 30 10 IKEE CCCOc1c(Cl)cc(C=NNS(=O)(=O)c2c(C)cc(C)cc2C)cc1Cl 2323379843 VJFMVIHWUAOAMC-UHFFFAOYSA-N 429.369 5.020 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc4c(c3)CCCC4)cc2)c(C)c1 2323419563 VGERNEOQMOLZNG-UHFFFAOYSA-N 439.555 6.096 30 10 IKEE CCOc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2cccc(OC)c2)C3=O)cc1 2323511385 UUQZLUIDQMRDLT-UHFFFAOYSA-N 442.467 5.329 30 10 IKEE Cc1sc(NN=Cc2ccc(OCc3ccccc3)c(Cl)c2)nc1-c1cccs1 2323854374 RNJSSANXKXLNOX-UHFFFAOYSA-N 439.993 6.858 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OCC(=O)Nc1ccccc1F 2323865718 PYUGYFQCZYQIOV-UHFFFAOYSA-N 447.506 5.755 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OCC(=O)Nc1cccc(C)c1C 2323870960 ZNLDTIYCQIJNRM-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(OC)c(C)c3C)cc2)o1 2324295006 HFLUOEUYOWXDOJ-UHFFFAOYSA-N 434.488 5.557 30 10 IKEE Cc1cccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccccc4Cl)cc(C)c3C2=O)c1 2324395026 MEDBCSMNTGWPKX-QGZVFWFLSA-N 447.918 5.979 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCCOc4ccc(C)cc4)c3C)C2=O)c(OC)c1 2324538384 ZPNJJNMFJKEVPW-UHFFFAOYSA-N 446.499 5.395 30 10 IKEE Cc1cccc(OCCCOc2cc(C)c3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)c1 2324563969 ZCUJGBLTSYYBRD-UHFFFAOYSA-N 434.919 6.421 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O 2325141706 IZRIFQINQABTNP-QGZVFWFLSA-N 447.918 5.979 30 10 IKEE CCCOc1ccccc1C=Nn1c(CCC)nnc1SCc1ccccc1Cl 2325558920 MMEFAUKANWVSPG-UHFFFAOYSA-N 428.989 5.847 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccccc1[N+](=O)[O-] 2325592956 ALVHFRMAPJDFIT-UHFFFAOYSA-N 436.324 5.230 30 10 IKEE Cc1cc(OCC(=O)NCc2ccccc2Cl)cc2c1C(=O)C(=Cc1cccs1)O2 2325642602 RNEWCKQFXLCXLZ-UHFFFAOYSA-N 439.920 5.021 30 10 IKEE CCCCCOc1ccc(C=Nn2cnnc2SCc2c(F)cccc2Cl)cc1 2325669344 VWBUMZVDCLEKKF-UHFFFAOYSA-N 432.952 5.814 30 10 IKEE CCc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(Br)cc3)c2)cc1 2325716630 PUQIRHNPGZHBHF-UHFFFAOYSA-N 435.317 6.127 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2)cc1OC(=O)CCCOc1ccc(C)cc1 2325731250 RURCJVCARVRSFH-UHFFFAOYSA-N 430.500 5.664 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2OC)cc1OC(=O)Cc1ccccc1F 2325742278 UIYMIKCOEPIRNW-UHFFFAOYSA-N 434.463 5.196 30 10 IKEE COc1ccc(C(=O)Oc2cccc(C=CC(=O)c3cccc4ccccc34)c2)cc1OC 2325749839 ZWGPLMACVZNORR-UHFFFAOYSA-N 438.479 5.972 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)[C@@H](C)c3ccccc3)c2)c(OCC)c1 2325762959 RDJZPDPXOUIALN-FQEVSTJZSA-N 444.527 6.089 30 10 IKEE Cc1cc(CC(=O)Oc2cccc(C=CC(=O)c3cc(C(C)(C)C)ccc3C)c2)ccc1F 2325765580 UMRCNWSGWKJSJS-UHFFFAOYSA-N 444.546 6.784 30 10 IKEE CCCN1CC(=O)C(c2nc3ccccc3s2)=C1NC(=O)C=Cc1ccc(C(C)C)cc1 2326880902 LHYOWYJZLJUMCU-UHFFFAOYSA-N 445.588 5.213 30 10 IKEE CC(C)c1ccc(C=Nn2c(CC34CC5CC(CC(C5)C3)C4)nnc2SCCO)cc1 2326945310 QGYNMLBSWOSIHE-UHFFFAOYSA-N 438.641 5.127 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(CCc2ccc(C)c(C)c2)nnc1SC 2328921272 DPKMGYWLWHKLEH-UHFFFAOYSA-N 430.577 5.446 30 10 IKEE CCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1c(OC)ccc2ccccc12 2329093420 JFHWRAOLJOSOIY-UHFFFAOYSA-N 436.968 5.678 30 10 IKEE COc1cccc(C=CC(=O)Nc2cc(NC(=O)c3cccc(C#N)c3)ccc2Cl)c1 2329854650 SZDNDPPTSUNQGI-UHFFFAOYSA-N 431.879 5.124 30 10 IKEE Cc1ccccc1C=Nn1c(COc2ccccc2)nnc1SCc1ccc(F)cc1 2329883738 AMOVNHHLCJXMFR-UHFFFAOYSA-N 432.524 5.479 30 10 IKEE COc1ccc(C=Nn2c(Cc3ccc(C)cc3)nnc2SCc2ccc(C)cc2)cc1 2329933769 APVXBCGZCKHCPK-UHFFFAOYSA-N 442.588 5.669 30 10 IKEE CCOc1cccc(C=Nn2c(Cc3cccs3)nnc2SCCc2ccccc2)c1 2330398447 GBTGHCGNAQAKOS-UHFFFAOYSA-N 448.617 5.546 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(-c3cccs3)n2N=Cc2cccs2)cc1 2330557540 RZXBAZPGSKUQAJ-UHFFFAOYSA-N 427.536 5.151 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(Cl)c1OC(=O)c1cnccn1 2330651525 JFZMVCDMVAEVFZ-UHFFFAOYSA-N 444.874 5.407 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)COCc3ccccc3)c(Cl)c2)cc1 2330747724 UBTYTFVYFXOUBP-UHFFFAOYSA-N 434.919 5.921 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc([N+](=O)[O-])cc1 2330824333 KOJRMGSGIWIHKM-UHFFFAOYSA-N 427.505 5.089 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)C(C)C)c(Br)c2)cc1 2330833279 IPTLUUQDWRSFMW-UHFFFAOYSA-N 429.354 6.249 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1C 2330865833 UTJVUUYQKFZAGC-UHFFFAOYSA-N 449.434 5.095 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)c(C)c3)c(OC)c2)cc1C 2330881013 VWVHMTYKOXEJIT-UHFFFAOYSA-N 430.500 5.744 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)c1sccc1C 2330899840 VIHRHCILXMUVIA-UHFFFAOYSA-N 447.339 6.487 30 10 IKEE Clc1ccccc1C=Nn1c(SCc2cccc3ccccc23)nnc1[C@@H]1CCCO1 2330979971 VTBVBZREBNZSHG-QFIPXVFZSA-N 448.979 6.111 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2[C@H]2CCCO2)c1 2330990525 SOFYFWYJOQLQCO-HXUWFJFHSA-N 442.972 5.356 30 10 IKEE CSc1nnc(C2CCCC2)n1N=Cc1ccccc1OCc1ccccc1Cl 2331016088 ZANJXJGHXYJQEK-UHFFFAOYSA-N 426.973 5.772 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)c1ccccn1 2331104233 SMYXXEMDKXEYET-UHFFFAOYSA-N 435.426 5.212 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl 2331180278 QQYQMYIUPKPIHE-FGZHOGPDSA-N 446.930 6.344 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)c(Cl)c3)cc2)c1 2331239573 LJOAPUCZIOIACG-UHFFFAOYSA-N 425.311 6.726 30 10 IKEE CCc1ccc(C=Nn2c(SCC(=O)Nc3cc(C)ccc3C)nnc2C(C)(C)C)cc1 2331362169 DZOJYUNVDSEQHI-UHFFFAOYSA-N 449.624 5.368 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(C)(C)C)n2N=Cc2cn(C)c3ccccc23)c1 2331397993 QYXVPQMAIBMCJY-UHFFFAOYSA-N 431.609 5.859 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)c1cccc(F)c1 2331403681 CATSHEMNAMZFLW-UHFFFAOYSA-N 448.446 5.111 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1cncc(C)c1 2331430667 QAGAPOJWCDBAOQ-UHFFFAOYSA-N 429.516 5.811 30 10 IKEE COc1ccc(C=Nn2c(CC(C)C)nnc2SCc2cc(C)ccc2C)cc1OC 2331456840 LSNRAXYPJAQJAC-UHFFFAOYSA-N 438.597 5.285 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SCCC)nnc2C2CCC2)cc1OCC 2331534403 AJZDOQQNTKMZAD-UHFFFAOYSA-N 430.618 5.898 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc(Cl)c1OC(=O)CC 2331577917 KZMOMIBPPYNBAT-UHFFFAOYSA-N 444.955 6.391 30 10 IKEE COCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(C(F)(F)F)cc1 2331595411 INSDMGWVGDNICF-UHFFFAOYSA-N 440.878 5.271 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OC(=O)C(F)(F)F 2331644476 JYUAEBZUXYJULL-UHFFFAOYSA-N 436.426 5.301 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1N=Cc1ccc(C(C)C)cc1 2331665860 LKEQHRUIFBFCDB-UHFFFAOYSA-N 449.624 5.584 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cc(OC)c(OC(=O)C(C)(C)C)c(OC)c2)cc1C 2331836505 OFLSFAQRUODMMT-UHFFFAOYSA-N 426.509 5.177 30 10 IKEE CC#CCN(C[C@H](NCCC)c1cc(Cl)cc(Br)c1)C(=O)OC(C)(C)C 2337916118 PCXQZODLXUWXQG-SFHVURJKSA-N 443.813 5.404 30 10 IKEE CCN(CC)c1ccc(/C=C2\CC(C)C/C(=C\c3ccc(N(CC)CC)cc3)C2=O)cc1 6146789 SFXPLYOSNTZJFW-XAESMMJOSA-N 430.636 6.845 30 10 IKEE CC1=C(C(=O)Nc2ccc(F)cc2F)[C@@H](c2ccc(C)cc2)C2=C(CC(C)(C)CC2=O)N1 10013594 PTAKFIBNXVUHNL-HSZRJFAPSA-N 436.502 5.516 30 10 IKEE Cc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(OCc3ccccc3)c2)cc1 21230394 YLMXSTIFAJKWQV-ZCYQVOJMSA-N 437.539 5.578 30 10 IKEE CCn1nc(C)c(CN/C(=N/C(=O)c2ccc(C)c(C)c2)Nc2cccc(C)c2C)c1C 32971776 BSKGHVBOUBIMGP-UHFFFAOYSA-N 431.584 5.152 30 10 IKEE C/C(=N/OCc1ccccc1C)c1cc(-c2ccc(F)cc2)n(-c2ccccc2F)c1C 35843422 KMTRVHAUZQJQBN-FSGOGVSDSA-N 430.498 6.980 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2sccc2C)C3=O)c1 41292761 VZQXFWXZNRXUHM-NDENLUEZSA-N 436.485 5.218 30 10 IKEE Cc1ccc(N/C(=N\C(=O)c2cccc(Cl)c2)NCCc2c[nH]c3ccccc23)cc1 66437753 GZXGUULVOVHCFL-UHFFFAOYSA-N 430.939 5.570 30 10 IKEE Cc1ccc(-c2nc3sc4c(c3c(=O)n2Cc2cccc(C#N)c2)CC[C@H](C)C4)cc1 96532461 HAQHNJFBRPTWHO-KRWDZBQOSA-N 425.557 5.478 30 10 IKEE COc1cccc(-n2c(-c3ccccc3)cc(/C(C)=N/OCc3ccccc3OC)c2C)c1 97637627 JBYAAEMNKXFSEL-ZTKZIYFRSA-N 440.543 6.411 30 10 IKEE CCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CC)/C(=N/c3ccc(Cl)cc3)S2)cc1 100184732 HUDROOWUKYUZRY-NWIBBQCFSA-N 445.972 5.109 30 10 IKEE O=C(/C=C\c1ccc([N+](=O)[O-])cc1)C(C(=O)c1ccccc1)=C1SCCCCS1 101659142 SODMPFHWTRGATG-RAXLEYEMSA-N 425.531 5.532 30 10 IKEE COc1ccc(OC)c(/C=C/C(=O)N2CCCS/C2=N/c2ccc(C)c(Cl)c2)c1 104995562 AFCPVNAMWPANDJ-UMPNBOSMSA-N 430.957 5.332 30 10 IKEE CCCOc1c(Cl)cc(/C=N\n2c(S)nnc2Cc2ccc(F)cc2)cc1Cl 169913696 RWXUHKCDJWJPNM-KSEXSDGBSA-N 439.343 5.275 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2cccc(OC)c2)cc1 169931249 SECZTWCPABNHMI-RUZDIDTESA-N 441.527 5.657 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(OCc3ccccc3Cl)cc2)NC(=S)N1 169938457 WUZXDXPJCFECFY-HSZRJFAPSA-N 448.975 5.595 30 10 IKEE CCCOc1ccc(/C=N\Nc2nc(-c3ccccc3)c(C(=O)OC)s2)cc1Cl 169942720 OAKSWFZEKUMNEV-QRVIBDJDSA-N 429.929 5.485 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccccc2)c1 170054792 AHVGFTMQSBELHL-XMMPIXPASA-N 439.467 5.220 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 170142412 FRPSYBGJQCXUOK-AREMUKBSSA-N 448.522 5.528 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccc1OC(C)C 170150875 IHVDWVBZARXWOQ-RUZDIDTESA-N 443.543 6.005 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCCC)[C@H]2c2cccs2)cc1 170165678 AKHNNWZMFHKHRL-QFIPXVFZSA-N 441.593 6.086 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccn2)cc1C(C)C 170181921 KVSSTXLFNDENCW-HSZRJFAPSA-N 434.536 5.125 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@@H]1c1ccncc1 170206180 VCOVRNQKMHXLEL-DEOSSOPVSA-N 442.515 5.208 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1 170226376 FGIIJRRSXWQFTJ-NRFANRHFSA-N 433.891 5.440 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccc2)cc1C 170234386 DUDNXLLATAXUKJ-DEOSSOPVSA-N 445.490 5.311 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccccc1F)c1ccc2ccccc2c1 170251186 GQYTVIUPDKPAGL-DEOSSOPVSA-N 438.458 5.152 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2c[nH]c3ccccc23)c(C)c1 170254114 CCAUONJTQBHEJF-DEOSSOPVSA-N 438.483 5.268 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(CC)cc2)cc1C 170265554 AYQRKZUCSSRHBZ-RUZDIDTESA-N 441.527 5.739 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccc2C)c1 170273027 UYNPDZWEYXEMMJ-DEOSSOPVSA-N 427.500 5.485 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2c2ccccc2C)o1 170305604 CQBOMUQJQTXVMN-DEOSSOPVSA-N 443.543 6.285 30 10 IKEE N#Cc1ccc(Nc2ccc(Br)cc2Br)c(F)c1Br 231844817 ODPYMPDJVHIKON-UHFFFAOYSA-N 448.915 5.728 30 10 IKEE CCC/C(C)=N/Nc1nnc(SCC(=O)N2c3ccccc3Sc3ccccc32)[nH]1 253566738 JIFMYXQYZOABGS-OEAKJJBVSA-N 438.582 5.314 30 10 IKEE CC(C)COc1ccc(C(CCCCC(=NO)c2ccc(OCC(C)C)cc2)=NO)cc1 254379712 GAEFSJHIELENMF-UHFFFAOYSA-N 440.584 6.373 30 10 IKEE C[C@H](OC(=O)CCc1ccccc1)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C 256442069 LHPBUFXEIOLURH-UKIYMEMNSA-N 434.620 6.309 30 10 IKEE CCCCCCCCC[C@H](N)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 406748196 BTAVVEMMOSZFOG-IBGZPJMESA-N 427.427 6.937 30 10 IKEE C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(C(=O)Nc2ccc(F)cc2)CC1 508851229 YGMZFTXPIKCPKR-QHCPKHFHSA-N 447.558 5.000 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(O)cc2)c1 526604238 LOQMICJGIPIKIE-XMMPIXPASA-N 426.472 5.110 30 10 IKEE CCCOc1c(Cl)cc(/C=N\n2cnnc2SCc2ccccc2)cc1OCC 526801063 YITCVPZCBXLFFJ-CFRMEGHHSA-N 430.961 5.294 30 10 IKEE Fc1ccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 526802520 JRVIIMPLIDUDJX-YUMHPJSZSA-N 434.515 5.516 30 10 IKEE CCOc1c(Cl)cc(/C=N\n2c(C)nnc2SCc2cc(C)cc(C)c2)cc1Cl 526809439 FNPVFUZMLKFWAQ-MYKKPKGFSA-N 449.407 6.083 30 10 IKEE CCc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccc(OC(C)C)c(Cl)c1 526816986 RRWFFQNTLYKJEK-MSXFZWOLSA-N 449.407 6.109 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1cccc(OC(C)C)c1 526817221 XLYUUOOUQWAMJM-MYYYXRDXSA-N 443.016 6.236 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1cccc(OC(C)C)c1 526822314 IOPAXFHBYLVBIH-QQXSKIMKSA-N 433.581 5.454 30 10 IKEE CCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1cc(Cl)c(O)c(OCC)c1 526824917 AHUQDHJGSJFIGP-MSXFZWOLSA-N 448.951 5.302 30 10 IKEE CCc1nnc(SCc2ccc(C(=O)OC)cc2)n1/N=C\c1cccc(Cl)c1Cl 526827957 PTBTZUJBSQCAQK-KSEXSDGBSA-N 449.363 5.108 30 10 IKEE N#Cc1cccc(CN(Cc2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(F)cc2)c1 586124180 XHSNJLMYIFMRBU-UHFFFAOYSA-N 448.441 5.107 30 10 IKEE C=CCN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(CCCCCC)cc1 586234255 WJGKQGMTUVHKRN-UHFFFAOYSA-N 436.415 5.953 30 10 IKEE CCCCCCCCC[S@@](=O)[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 586290061 UWAXLAMTZMGHAA-LOKFHWFJSA-N 425.944 6.185 30 10 IKEE CCCCCCCCCC[C@@H](CCN(Cc1ccccc1)C(=O)OC(C)(C)C)NCC 692645801 OYIOCIQHYKFNLX-VWLOTQADSA-N 432.693 7.323 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H]([C@](C)(C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 698878035 XJNIPRDRWGUWQU-UUOWRZLLSA-N 435.609 5.486 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1 698906014 WJBVEAKJRKRPGU-UUOWRZLLSA-N 429.561 5.418 30 10 IKEE COc1cc(C=Nc2c(C)nn(Cc3ccccc3)c2C)ccc1OCc1ccccc1 1084006213 IFQPCEYBGGUHGH-UHFFFAOYSA-N 425.532 5.886 30 10 IKEE O=C(CSc1nc2ccc(N=Cc3ccc(F)cc3)cc2s1)Nc1ccc(F)cc1 1084026501 ZBIHANVZFCYHKU-UHFFFAOYSA-N 439.512 6.056 30 10 IKEE CC/N=C1/S/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)N1CC 1084427136 IMLMBBXOLHGSEK-JXQPYYAVSA-N 435.376 5.885 30 10 IKEE Cc1ccc(CSc2nc3ccc(N=Cc4ccc([N+](=O)[O-])cc4)cc3s2)c(C)c1 1084605769 IQJXMQWZIGVTFK-UHFFFAOYSA-N 433.558 6.864 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=Nc1ccc(C)cc1 1772724695 XVKXKOXASBFXHT-IBORXNHRSA-N 445.500 5.953 30 10 IKEE Cc1ccc(-n2c(C)cc3c2CC(C)(C)CC3=NOC(=O)c2ccc(Cl)cc2)cc1C 1772728293 DUFVTAKMKIRYKV-UHFFFAOYSA-N 434.967 6.589 30 10 IKEE O=C1/C(=C\c2cccc(Br)c2)SC(=Nc2nccs2)N1c1ccccc1 1772732334 ADJAHZCJZYUKRU-KBQFJHCTSA-N 442.363 5.714 30 10 IKEE CN1C(=O)/C(=C\C(Cl)=C/c2ccccc2)SC1=Nc1nc(-c2ccccc2)cs1 1772736833 JFZGEKGLDWXPMH-SMAHJHQWSA-N 437.977 6.167 30 10 IKEE Cc1c(N=Nc2cc(Cl)ccc2Cl)c(O)n(CCc2ccccc2)c(=O)c1C#N 1772740283 GLSNCSIEDWYGNO-UHFFFAOYSA-N 427.291 5.699 30 10 IKEE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNc2ccc([N+](=O)[O-])cc2)CCC3)c(C)c1 1772748787 XAJHLJARFSUMMK-UHFFFAOYSA-N 432.480 5.518 30 10 IKEE CCCCCCCCCSc1nc(Cl)c2c(n1)S[C@@H]1CN(C(C)=O)CC[C@H]21 1857801317 TXRXRKFWAMTLEI-JKSUJKDBSA-N 428.067 5.783 30 10 IKEE N#Cc1c(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)oc2c1CCCC2 1859756254 MTRXUVWMKZZISI-UHFFFAOYSA-N 430.291 5.563 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)c1cccc(Br)c1 1861335475 BKGMBMKJHXCPIQ-FQEVSTJZSA-N 437.422 5.311 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862413117 WCIWJSORGAINEH-MWTRTKDXSA-N 433.454 5.613 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(Cl)cc1 1862432209 ZAAQQKBNVHPYTR-HXUWFJFHSA-N 432.347 6.152 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccccc1Cl)c1cccc(Cl)c1 1862445826 DZJKMBANSFOGHG-FQEVSTJZSA-N 439.298 5.167 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)cc1O 1862492180 LJSMMIIXINKQFX-GERBCZOESA-N 449.547 5.175 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cc(Cl)cc(Cl)c2)c1 1862498249 CYUXJFYYIQYMKT-OAQYLSRUSA-N 444.358 6.131 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCc3ccc(Cl)cc3)[C@H]2c2ccccc2)ccc1F 1862500587 JMCDCIWJFPVERK-QHCPKHFHSA-N 449.909 5.609 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2ccc(F)cc2)cc1F 1862638354 ZLOSAPNSTHMGPT-HSZRJFAPSA-N 449.453 5.060 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862661586 WBXMSKNVAKTVNF-RUZDIDTESA-N 443.518 6.036 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2cccc(Cl)c2)cc1 1862662480 XFFXVCWNOPKSKN-DEOSSOPVSA-N 445.946 6.242 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2cccc(O)c2)cc1 1862663665 VMHRELGSJIJVGS-IQGLISFBSA-N 441.527 5.855 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2cccc(F)c2)cc1 1862664036 VPQXNSVSNXGHDX-XMMPIXPASA-N 435.539 6.250 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1c(F)cccc1Cl 1862677318 CVUDANUAIWAWPC-FQEVSTJZSA-N 449.881 5.012 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 1862690070 HBHDJJIBMFVGDJ-FQEVSTJZSA-N 447.453 5.338 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(C)cc1 1862699381 UGOKSFUOOMJTIR-ZJSXRUAMSA-N 435.564 5.941 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(Cl)c(Cl)c1 1862705773 GRCUHICPESREBB-HXPMCKFVSA-N 434.319 5.379 30 10 IKEE N#Cc1ccc(NC2=C(c3cccc4ccccc34)C(=O)N(c3ccc(F)cc3)C2=O)cc1 1862841437 NQKGMDBXDSIMBF-UHFFFAOYSA-N 433.442 5.247 30 10 IKEE Cc1cc(C2=C(Nc3ccccc3C#N)C(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1F 1863085127 XWGMZENRWSRSKM-UHFFFAOYSA-N 445.881 5.364 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(N(C)C)cc2)=C(c2ccc(C)cc2)C1=O 1863266120 KLVTWFDAUMRICK-UHFFFAOYSA-N 433.596 5.614 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)cc2F)=C(c2ccc(OC)cc2)C1=O 1863331013 ARWWJKLFWPYNBL-UHFFFAOYSA-N 442.506 5.526 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(OC)cc2)=C(c2cc(C)ccc2C)C1=O 1863394932 WVANPDBBVIZSHM-UHFFFAOYSA-N 434.580 5.865 30 10 IKEE C/C(=C\c1cccc(Cl)c1)C(=O)N[C@H](C(=O)Nc1cccc(C#N)c1)c1ccccc1 1866820819 UYTKCZDOMODJBX-ILAWTMEDSA-N 429.907 5.111 30 10 IKEE CCCc1nc(Nc2cccc(C#N)c2)cc(N2CCC[C@H]2Cc2ccc(Cl)cc2)n1 1868377760 ANCDKZGKWMJOOP-QFIPXVFZSA-N 431.971 5.909 30 10 IKEE CCCCCCCCn1cc(OCC2CCCCC2)c(=O)cc1CN1CCC[C@@H](C)C1 1870482697 FMMJJWWGOIDGEX-HSZRJFAPSA-N 430.677 6.400 30 10 IKEE C#CCOc1cn(Cc2ccccc2)c(CN(Cc2ccccc2)Cc2ccccc2)cc1=O 1870560793 MDFXCZXSGITTGB-UHFFFAOYSA-N 448.566 5.111 30 10 IKEE CCCCCCCCCCn1cc(OCc2ccccc2C)c(=O)cc1CN1CCCC1 1870629497 JNPMJCKZHJFGEZ-UHFFFAOYSA-N 438.656 6.472 30 10 IKEE C=CCn1cc(OCCCOc2ccccc2)c(=O)cc1CN(CCCC)CCCC 1870634260 QNGYCZZAQRBWNJ-UHFFFAOYSA-N 426.601 5.284 30 10 IKEE CCCCCCCCn1cc(OCCO)c(=O)cc1CNc1ccc(C(F)(F)F)cc1 1870789986 GMHLXOYPLIRZLX-UHFFFAOYSA-N 440.506 5.211 30 10 IKEE CCCCCCCOc1cn(Cc2cccnc2)c(CNc2cccc(N(C)C)c2)cc1=O 1870830139 FDFIKVASOFOHMS-UHFFFAOYSA-N 448.611 5.319 30 10 IKEE CCCCCCCOc1cn(Cc2ccco2)c(CNc2ccc3nc[nH]c3c2)cc1=O 1870836125 FIUSQBAHBTUYMK-UHFFFAOYSA-N 434.540 5.327 30 10 IKEE CCCCCCCOc1cn(CCCOC(C)C)c(CNc2ccc(CC)cc2)cc1=O 1870837426 FQYHTISUEBLIFQ-UHFFFAOYSA-N 442.644 6.187 30 10 IKEE CCCCCCCOc1cn(CCCN(CC)CC)c(CNc2ccc(F)cc2)cc1=O 1870837632 PUJQSORUGTWATG-UHFFFAOYSA-N 445.623 5.681 30 10 IKEE CCCCCCCCCCn1cc(OCC(N)=O)c(=O)cc1CNc1ccc(C)c(C)c1 1871118513 TWFFHEMQRUFOEX-UHFFFAOYSA-N 441.616 5.082 30 10 IKEE C=CCn1cc(OCCCCOc2ccccc2)c(=O)cc1CNc1ccccc1CC 1871225842 MVFIHCSVGWZRTG-UHFFFAOYSA-N 432.564 5.447 30 10 IKEE Cc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2Cc2ccccc2)cc1 1871252305 UOOWYACAMMXBNG-UHFFFAOYSA-N 435.527 5.268 30 10 IKEE CCCCC[C@H](CC)N1COc2cc(C)c3c(c2C1)O/C(=C\c1ccccc1OC)C3=O 1871347805 XGTDERFDROKBIS-ORQKMDSUSA-N 435.564 6.131 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OC(=O)Cc3cc(Cl)ccc3Cl)ccc2C1=O 1871376613 UGNRZEDUFPRILH-JJFYIABZSA-N 439.294 6.066 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccc(F)cc4)c3C)C2=O)cc1 1871400771 KLUXRYSWBBWQNU-PGECNJAHSA-N 431.463 5.465 30 10 IKEE C[C@H](Oc1ccc2c(c1)O/C(=C\c1cn(C)c3ccccc13)C2=O)C(=O)Nc1ccccc1 1871403811 ARBQYMICJWNVHQ-MQKZQLNTSA-N 438.483 5.201 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(Cl)cc1)C2=O 1871430381 IOBIHKOQNBMYFM-STZFKDTASA-N 427.928 5.292 30 10 IKEE Cc1c(OCc2cccc(Oc3ccccc3)c2)ccc2c1O/C(=C\c1cccs1)C2=O 1871437060 XIGVKZAWBKGWTR-XYGWBWBKSA-N 440.520 7.044 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3cc(OCC(=O)Nc4c(F)cccc4F)ccc3C2=O)cc1 1871440636 ZDXBYTAVVXDRAP-FMCGGJTJSA-N 449.453 5.722 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3cc(C)cc(C)c3)ccc2C1=O 1871454583 SGDAQDXRBNWDMC-QFEZKATASA-N 443.499 5.336 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(Cc2ccccc2)cc1)S(=O)(=O)CC 1872291308 ZBKBQDXVIVGIFW-DEOSSOPVSA-N 442.625 5.003 30 10 IKEE CCCOc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 1872759801 AAUNDFCMKYMYPO-HSZRJFAPSA-N 426.541 6.171 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccccc3C(C)C)n2)cc1 1872769979 FKEAWWNUJNDFLK-GCJKJVERSA-N 448.588 6.366 30 10 IKEE COc1ccc(OC)c(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)c1 1872773395 MWLFRVGRIXROEP-HSRJRILOSA-N 446.572 6.014 30 10 IKEE CCCCCCCCNC1=C(c2c(C)cc(C)cc2C)C(=O)N(CCOC(C)C)C1=O 1873121053 MNBQNTVTXPWJHL-UHFFFAOYSA-N 428.617 5.067 30 10 IKEE CN(Cc1ccccc1)c1nc(Nc2cccc(C#N)c2)c2cnn(-c3ccccc3)c2n1 1873482156 KVBNKVKULNNDSS-UHFFFAOYSA-N 431.503 5.067 30 10 IKEE Sc1nnc(Cc2ccccc2)n1/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 1873504858 PABHIBOPRSTQFM-MFKUBSTISA-N 434.952 5.272 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C(F)(F)F)cc2)cc2c(NCCC(C)C)ncnc21 1873611166 LNAFGXPYHGZSFS-UHFFFAOYSA-N 431.462 5.346 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(C(F)(F)F)cc1)n2CC=C 1873662196 JXPYJFYXQFLCPL-UHFFFAOYSA-N 441.457 5.067 30 10 IKEE CCCCCCCCCCNC(=O)Cc1c(C)c2cc3c(cc2oc1=O)OC(C)(C)CC3 1873935779 ZHJAGJMZKYGBDB-UHFFFAOYSA-N 441.612 6.004 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccccc1F 1874214332 HNKWHHBYXNLCMS-BUVRLJJBSA-N 430.936 5.243 30 10 IKEE CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccc(OC)cc1OC 1874244044 LMOLWIWSWWSCMK-MFKUBSTISA-N 440.613 5.048 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1c[nH]c2ccccc12 1874254032 SIXVYBQVCMGSAN-YZSQISJMSA-N 431.565 5.240 30 10 IKEE C=C(C)CSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1cccc(OC)c1 1874284901 DTXMESQHNWNIHK-PCLIKHOPSA-N 426.630 6.301 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2OC)n1/N=C/c1ccc(OCC)cc1 1874314288 LRFHZHIWSKHFAO-PCLIKHOPSA-N 436.581 5.021 30 10 IKEE Cc1ccc(CSc2nnc([C@@H](C)c3ccccc3)n2/N=C/c2ccccc2F)cc1 1874392755 UAOIIEYRDYNCKG-FQNOVECQSA-N 430.552 6.052 30 10 IKEE Cc1cccc(CSc2nnc([C@@H](C)c3ccccc3)n2/N=C/c2sccc2C)c1 1874394851 XNMTUUVCGJRRIF-QVWJKXSPSA-N 432.618 6.283 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(Cc2cccs2)n1/N=C/c1ccncc1 1874414949 QZJZUFJQXHTYCG-WYMPLXKRSA-N 443.960 5.292 30 10 IKEE O=[N+]([O-])c1ccccc1/C=N/n1c(SCc2ccc(F)cc2)nnc1-c1ccccc1 1874425862 FABVGDYUWUIVDS-ZVHZXABRSA-N 433.468 5.167 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2-c2ccccc2)cc1 1874429727 YGUMOBZHINTQTA-MTDXEUNCSA-N 434.568 6.581 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(CC(C)(C)C)n1/N=C/c1ccccc1C 1874437356 WYHRJLQLDNCRTJ-WGOQTCKBSA-N 449.624 5.351 30 10 IKEE Cc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccc(Cl)cc2Cl)c1 1874440470 CLBXWAXRRIDIFV-DHRITJCHSA-N 447.435 6.656 30 10 IKEE COc1cc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CCCC2)ccc1O 1874456261 JIHCHMQFOJPTRH-ZMOGYAJESA-N 442.972 5.478 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(C(F)(F)F)n2/N=C/c2ccc(Cl)cc2)cc1 1874461140 YDCNAGXZRGYXGE-LSFURLLWSA-N 441.822 5.033 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2-c2ccco2)cc1 1874465741 YZWMFYURXKGJRC-PCLIKHOPSA-N 432.549 5.810 30 10 IKEE CCCOc1ccccc1/C=N/n1c(CC(C)C)nnc1SCc1ccc(F)cc1 1874488016 VQBFKVPHBWKNRS-MFKUBSTISA-N 426.561 5.579 30 10 IKEE CC(C)Cc1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1ccc(C(C)C)cc1 1874490490 TYMHCNSSOIJCSB-MFKUBSTISA-N 441.645 5.023 30 10 IKEE Cc1cccc(CSc2nnc(C3CCC3)n2/N=C/c2ccc(Cl)c(Cl)c2)c1 1874494123 QGJJJVCHRUYXAK-WYMPLXKRSA-N 431.392 6.335 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CCC)nnc1SCc1c(F)cccc1Cl 1874509876 ZPZOBGTWUNAQSW-AFUMVMLFSA-N 444.963 5.762 30 10 IKEE COc1cc(/C=N/n2c(SCc3cccc(F)c3)nnc2C2CC2)ccc1OC(C)C 1874518121 CNONLPVUYCWTDX-DHRITJCHSA-N 440.544 5.265 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2Cl)nnc1C1CC1 1874522897 QRLWBDQNPZBESU-FOKLQQMPSA-N 433.364 5.645 30 10 IKEE COc1cccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2ccc(C)cc2C)c1 1874572548 SWFXVLLFNNWKFM-WYMLVPIESA-N 445.515 5.234 30 10 IKEE COC(=O)c1ccc(COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(OC)c(C)c2)o1 1874574122 WFPYPZXTRPSJLO-XBXARRHUSA-N 440.879 5.512 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2cccc(Cl)c2)c1OCc1ccccc1F 1874577381 LDVDTUNENIJOSB-MDZDMXLPSA-N 431.290 6.616 30 10 IKEE CCCOC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(Cl)c(Cl)c1 1874579485 QTKGFCIPNOEDFP-QPJJXVBHSA-N 427.711 5.875 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cc(Cl)ccc2OCc2cc(C)ccc2C)c1 1874580983 QCNHGOIWSLYIQW-JXMROGBWSA-N 436.935 6.449 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Cl)c1OCc1ccc(C)cc1 1874612549 ZWQBOUYUXNVDQK-VAWYXSNFSA-N 441.354 7.176 30 10 IKEE C=C(C)COc1ccc(/C=C/C(=O)c2ccc(OCCC)c(OCCC)c2)cc1OCC 1874612766 LAAYSTAGKQUTSB-FMIVXFBMSA-N 438.564 6.514 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(OC)c1OCCc1ccccc1 1874613402 RYMZAISEMPDSDK-BUHFOSPRSA-N 432.947 6.595 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(Cl)c1OCc1cccc(F)c1 1874623467 DXKKRFIWPAFUTE-OUKQBFOZSA-N 446.905 7.116 30 10 IKEE CCCOC(=O)COc1c(Cl)cc(/C=C/C(=O)c2cccc3ccccc23)cc1OC 1874623739 SCQVTCOZMIKPIC-VAWYXSNFSA-N 438.907 5.730 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OCC(=O)NC1CCCCC1 1874627728 STRMSMNUTJPUTJ-XYOKQWHBSA-N 443.490 5.087 30 10 IKEE Cc1ccccc1CCC(=O)Oc1cccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c1 1874693228 UJAXDSJVHCYUKL-XSFVSMFZSA-N 446.546 7.096 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(Br)cc3)c2)c(C)c1 1874702341 NVUPOABLBUPKGF-NTUHNPAUSA-N 435.317 6.181 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cccc(OC(=O)[C@H](C)c3ccccc3)c2)c1 1874711896 MOPLODHULNCROS-KETLNSEPSA-N 444.527 6.089 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3c(C)cc(C)cc3C)c2)cc1 1874716548 XUKGDWWDEHNKOW-MDWZMJQESA-N 428.484 5.652 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(F)cc3)c2)cc1C 1874717589 DCHMLKKWZLUSBO-VZUCSPMQSA-N 434.463 5.575 30 10 IKEE CC(C)CC(=O)Oc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-] 1875078065 CATMZJHZFFYSEC-RIYZIHGNSA-N 429.472 6.109 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])c(Cl)c2)c1 1875102350 QYLKFTKSOHLBOI-PKNBQFBNSA-N 437.835 5.372 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)c3ccccc3)c([N+](=O)[O-])c2)c(C)c1 1875134652 DEUDJZDCAFADQI-YFPIXMDGSA-N 429.472 5.817 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)C3CCC3)c(OC)c2)cc1 1875136805 XNSOAFBAALVWGG-KPKJPENVSA-N 428.912 5.739 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3)c(Cl)c2)cc1 1875148847 WWRPUMYMEWVAAF-LNKIKWGQSA-N 436.910 6.892 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OCC 1875177137 VYWCTKLRYVJNJP-SAPNQHFASA-N 436.592 7.254 30 10 IKEE O=C(Cc1ccc(F)cc1F)Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1 1875191008 ALIFARTWFSQUAQ-XCVCLJGOSA-N 447.264 6.316 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)ccc1OC(=O)c1ccco1 1875191944 LZYDPYGCUKYHJH-FMIVXFBMSA-N 428.440 5.565 30 10 IKEE CC1(C)OB([C@@]23C[C@@H]2CCN(Cc2cccc(Cl)c2Br)C3)OC1(C)C 1879796580 VRKSKEVDUNKZRI-IFXJQAMLSA-N 426.591 5.161 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CCN(Cc1ccccc1)C(=O)OC(C)(C)C)NCC 1922112407 MMNPGSDGWBILAD-RUZDIDTESA-N 438.612 5.565 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C)NCCC 1922114293 XHOUOEUJDHQIEX-DHIUTWEWSA-N 430.633 5.553 30 10 IKEE CC[C@@](C#N)([C@H](C)NC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)c1cccc(OC)c1 1944143158 AGYSZMWSMWHIRP-QMHKHESXSA-N 433.549 5.022 30 10 IKEE CN(C(=O)OC(C)(C)C)C1CCC(C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)CC1 2002567554 DRQXGOIYMYWJTE-UHFFFAOYSA-N 449.617 5.557 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)c1 2013407289 MVCZPFCGGSKGBJ-HOYKHHGWSA-N 429.561 5.322 30 10 IKEE O=C(c1cc(-c2cccs2)nc2ccccc12)N1CCSC1=NCc1ccccc1 2040438751 JXMSAJLELJCKCQ-UHFFFAOYSA-N 429.570 5.709 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(Br)ccc(Cl)c1F 2063089604 BRZMYBBOHPOWNC-CJNGLKHVSA-N 435.765 5.362 30 10 IKEE CN[C@@H](CC#C[Si](C)(C)C)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071349258 MQSQVPASNLCXEZ-SANMLTNESA-N 443.663 6.376 30 10 IKEE COc1ccc([C@H](C(C)C)n2nc(C3CCC3)c(C#N)c2I)cc1C 2079971974 OLJBSKNILUIWCW-IBGZPJMESA-N 449.336 5.189 30 10 IKEE Fc1ccc(-c2c(C(F)(F)F)nn3c(Cl)c4c(nc23)CCOC4)c(C(F)(F)F)c1 2081339621 PCHJKHKRWMXCNQ-UHFFFAOYSA-N 439.718 5.299 30 10 IKEE COc1cc(-c2c(C3CCCCC3)nn3c(Cl)c(C#N)cnc23)nc(C(F)(F)F)c1 2081529224 GEDHCJZBUTUGMQ-UHFFFAOYSA-N 435.837 5.391 30 10 IKEE Cc1sc(C)c([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)c1Br 2092954652 ZYDKZIVABAYLEI-HNNXBMFYSA-N 439.350 6.273 30 10 IKEE C=CCN(CC[C@@H](Cc1cc(Br)ccc1C)NCC)C(=O)OC(C)(C)C 2099286861 CWOSVSHCSOIXGN-IBGZPJMESA-N 425.411 5.091 30 10 IKEE CCCCCC#CC[C@@H](NC)c1cc(Br)ccc1I 2139010063 ZEXCIJKNNYGZDQ-MRXNPFEDSA-N 434.159 5.288 30 10 IKEE CC(C)(C)OC(=O)N1CCc2ccc(Nc3ccc(C#N)cc3Br)cc2C1 2162412342 DAHPCCFCQDXAOX-UHFFFAOYSA-N 428.330 5.358 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1cc(Br)c(OC)c(OCC)c1 2164105375 RGYKXFJEFGTLRZ-NRFANRHFSA-N 434.374 5.280 30 10 IKEE CC(C)(C)OC(=O)N1CCCC12CCC(Nc1ccc(Br)cc1C#N)CC2 2167914793 VRKJTTVCUFVWTK-UHFFFAOYSA-N 434.378 5.445 30 10 IKEE CC(C)N[C@@](C#N)(CN(Cc1ccccc1)CC1CCCCC1)C1(Br)CC1 2206641670 YLGGNFGYDUHNKC-QHCPKHFHSA-N 432.450 5.257 30 10 IKEE CCCCCCCC[C@@H](C)Nc1c(Br)cc(Cl)cc1Br 2240653384 FYLDQVBLSGARND-GFCCVEGCSA-N 425.636 7.416 30 10 IKEE CC(C)(C)OC(=O)NCc1ccc(Nc2cc(Br)ccc2C#N)cc1Cl 2266922760 DTDNPLMJDMZBGI-UHFFFAOYSA-N 436.737 5.742 30 10 IKEE Cc1sc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1B1OC(C)(C)C(C)(C)O1 2267199474 NCJUZUXLHSCDGJ-UHFFFAOYSA-N 449.381 5.187 30 10 IKEE CCc1ccc(N=C2NC(=O)C(=Cc3cc(Cl)c(O)c(Br)c3)S2)cc1 2294002161 RYZREASCUNZZFH-UHFFFAOYSA-N 437.746 5.262 30 10 IKEE CN[C@@H](C#Cc1ccccc1Cl)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2295221391 IXHMEOXSFQTQNI-SFHVURJKSA-N 449.776 5.762 30 10 IKEE CCCCCCCCOc1ccc(C=C2SC(=Nc3ccc(F)cc3)NC2=O)cc1 2296124457 DEGBJJIGYOULQQ-UHFFFAOYSA-N 426.557 6.457 30 10 IKEE Cc1ccc2nc(N3C(=O)C(=O)C(=C(O)c4cccs4)[C@@H]3c3ccccc3)sc2c1 2296124861 YLYSEOKMGHQHQR-IBGZPJMESA-N 432.526 5.293 30 10 IKEE CN[C@@H](C#Cc1ccc(Br)cc1)c1ccc(N(C)C(=O)OC(C)(C)C)cc1 2296296795 RQNYCFZDHAJAIB-FQEVSTJZSA-N 429.358 5.133 30 10 IKEE CN1C(=O)C(=Cc2ccc(OCc3ccccc3)cc2)SC1=Nc1ccc(C(=O)O)cc1 2296374019 WPBUVAKQMYQRSP-UHFFFAOYSA-N 444.512 5.198 30 10 IKEE O=[N+]([O-])c1cc(C=Nn2c(SCc3ccccc3F)nnc2C2CC2)ccc1Cl 2320851392 TZDBLGPNMGLSEM-UHFFFAOYSA-N 431.880 5.031 30 10 IKEE Cc1c(OCc2ccc(Br)cc2)ccc2c1OC(=Cc1ccccc1F)C2=O 2321844698 HRXDZRXMVBBHLB-UHFFFAOYSA-N 439.280 6.092 30 10 IKEE Cc1ccccc1COc1ccc(C=Nn2c(S)nnc2Cc2ccccc2F)cc1 2321981714 SWVCTIDPTCHISE-UHFFFAOYSA-N 432.524 5.066 30 10 IKEE O=C1C(=CC=Cc2ccccc2)Oc2c1ccc1c2CN(CCOc2ccccc2)CO1 2322038128 YKTWUZAWTQSUOA-UHFFFAOYSA-N 425.484 5.090 30 10 IKEE CCCCC[C@H](CC)N1COc2cc(C)c3c(c2C1)OC(=Cc1cccc(OC)c1)C3=O 2322072620 GMUWYRXCCRHUOJ-FQEVSTJZSA-N 435.564 6.131 30 10 IKEE CC[C@H](C)N1COc2cc(C)c3c(c2C1)OC(=Cc1cc(Cl)cc2c1OCOC2)C3=O 2322092251 LJLGYSICMHSHBX-AWEZNQCLSA-N 441.911 5.082 30 10 IKEE COc1ccc([C@@H](C)N2COc3cc(C)c4c(c3C2)OC(=Cc2cccc(C)c2)C4=O)cc1 2322248762 BUFUOMBQNIBRAH-LJQANCHMSA-N 441.527 5.841 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1cccc(Cl)c1)C3=O)CN(CCc1ccc(F)cc1)CO2 2322286782 DAKHUAIYPVNRGX-UHFFFAOYSA-N 449.909 5.798 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1c(Cl)cccc1Cl)C3=O)CN(CCCN(C)C)CO2 2322335638 CLFKILJYPIDQDV-UHFFFAOYSA-N 447.362 5.022 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1c(Cl)cccc1Cl)C3=O)CN(CCCCCO)CO2 2322371484 CGCPHNPAHJIHTR-UHFFFAOYSA-N 448.346 5.233 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(Cl)cc2Cl)c1OCc1ccccc1F 2322391169 ALPKDXBRLJJMJJ-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)c1OCc1ccccc1F 2322474647 TVWBITPMTKUVOD-UHFFFAOYSA-N 441.842 5.871 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2ccccc2)cc1 2322565434 YZOYVZSJCYPEBE-UHFFFAOYSA-N 431.488 5.008 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cc(Cl)ccc1OCc1cc(C)ccc1C 2323022619 ZUOKIEBXZPJLJV-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1OCc1cccc2ccccc12 2323047458 SLGOAEJHIWHBSI-UHFFFAOYSA-N 444.530 7.477 30 10 IKEE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1OC 2323069026 BZBBJHNQMXLMDQ-UHFFFAOYSA-N 446.430 5.078 30 10 IKEE Cc1c(OC(=O)c2ccccc2[N+](=O)[O-])ccc2c1OC(=Cc1ccccc1Cl)C2=O 2323154026 MOMJLKWYCSEBJQ-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3ccccc3CC)c2)cc1 2323157919 ZEIDGLDUJGWBHT-UHFFFAOYSA-N 443.543 5.951 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1OCC(=O)OCC(C)C 2323302788 YKRUCNHRSMSPHJ-UHFFFAOYSA-N 438.564 5.775 30 10 IKEE Cc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1[N+](=O)[O-] 2323331829 QNAZWGNITSLXRG-UHFFFAOYSA-N 449.846 5.700 30 10 IKEE O=C(Cc1ccccc1[N+](=O)[O-])Oc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O 2323379511 ILHDDNLPSYRBKX-UHFFFAOYSA-N 435.819 5.013 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccccc1C 2323532478 DUUYLFDLTUSJJI-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE Cc1c(OCCCOc2ccccc2)ccc2c1OC(=Cc1ccc(C(C)C)cc1)C2=O 2324241217 YMUKKHUYSUNCBG-UHFFFAOYSA-N 428.528 6.583 30 10 IKEE COc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 2324439231 GLYSLGJQINUXQP-SFHVURJKSA-N 439.334 5.471 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2F)C3=O)c(C)c1 2324494076 OBWCDCPKOPPSGN-QGZVFWFLSA-N 431.463 5.465 30 10 IKEE CCc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4cccc(C)c4C)ccc3C2=O)cc1 2324498843 UFIWFXDBSLJEIF-LJQANCHMSA-N 441.527 5.888 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(O[C@@H](C)C(=O)Nc3ccc(Cl)cc3)c2C)C1=O 2324612025 HERNZXSEZXIPAO-KRWDZBQOSA-N 447.918 5.979 30 10 IKEE CC(C)c1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 2324834585 YMJBBABOVULUJT-LJQANCHMSA-N 441.383 7.130 30 10 IKEE CCOC(=O)c1ccc(COc2ccc3c(c2C)OC(=Cc2ccc(Cl)cc2)C3=O)o1 2325402439 UIDXGLZMABAPOC-UHFFFAOYSA-N 438.863 5.613 30 10 IKEE Cc1ccc(CSc2nnc(C)n2N=Cc2ccc(OCc3ccccc3)cc2)cc1 2325613899 KJAKFWAHKCMQRB-UHFFFAOYSA-N 428.561 5.648 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)C=Cc3ccc(C)cc3)C2)c1 2329101158 XMPNHZNGDRRRFJ-RUZDIDTESA-N 445.607 5.267 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2ccc(F)cc2)cc1C 2329395629 XWXHSQXQGLIICU-UHFFFAOYSA-N 444.579 6.108 30 10 IKEE Cc1cccc(CSc2nnc(CCc3cccs3)n2N=Cc2ccc(O)cc2)c1 2329644433 ZSQYHRUOIXAJJL-UHFFFAOYSA-N 434.590 5.313 30 10 IKEE CCCCCNC(=S)NN=Cc1cn(CCOc2ccc(Cl)cc2)c2ccccc12 2330448759 WLOQWCVARLIAJP-UHFFFAOYSA-N 443.016 5.362 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3)c(Br)c2)cc1 2330747892 HBNXRCOZKRWPQD-UHFFFAOYSA-N 435.317 6.127 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1 2330749841 PFKBHZZSRYHKET-UHFFFAOYSA-N 435.863 5.926 30 10 IKEE COc1cc(C=Nn2c(CC(C)(C)C)nnc2SC)ccc1OCCc1ccccc1 2330799961 XDUQTTVSVBRHRJ-UHFFFAOYSA-N 438.597 5.101 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(SCCc3ccccc3)nnc2[C@@H]2CCCO2)cc1 2330970086 PNNAMVGWFZMQCV-QFIPXVFZSA-N 434.609 5.644 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1Br)c1ccccc1 2331092914 VSYOHIFFXFYDAA-UHFFFAOYSA-N 443.243 5.843 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1[N+](=O)[O-])c1cccc(Cl)c1 2331094060 OSDYLFUXXSIQNN-UHFFFAOYSA-N 443.789 5.642 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1 2331116375 UMNDQNBEDZLZLT-UHFFFAOYSA-N 426.899 6.537 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3cc(C)c(Cl)c(C)c3)cc2)cc1 2331259156 SJMPDULSZFTGNH-UHFFFAOYSA-N 434.919 6.146 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2Cl)c(Cl)c1)c1ccc2c(c1)OCO2 2331437954 YCTHYRCEHHTAGH-UHFFFAOYSA-N 441.266 5.837 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)CCCSC 2331708285 ZXDGFRPEJSKYPO-UHFFFAOYSA-N 446.996 6.300 30 10 IKEE Cc1cc(I)c(Oc2ccc(Br)cc2C#N)cc1Cl 2336546641 RSNRCOFSFOMWCB-UHFFFAOYSA-N 448.485 5.680 30 10 IKEE CC(C)C1CCC(C=O)(Cc2ccc(I)c(Br)c2)CC1 2377429424 NFJCWUIGFWPGOK-UHFFFAOYSA-N 449.170 5.628 30 10 IKEE CN(C)c1ccc(/C=C2/CCC/C(=C\c3ccc(N(C)C)cc3Cl)C2=O)c(Cl)c1 12340183 JYXJLAFLYANCKO-MGYAYREDSA-N 429.391 6.345 30 10 IKEE Cc1cc(C)nc(N/C(=N\C(=S)Nc2ccccc2C)NCc2ccccc2Cl)n1 14156839 VGMYVEYBKMGGRW-UHFFFAOYSA-N 438.988 5.010 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(F)cc2)cc1 20881792 KSPGUQZKWQVSFD-MMTVBGGISA-N 442.534 6.594 30 10 IKEE CCOc1ccc(NC(=O)CSc2nc(-c3ccc(OCC)cc3)ccc2C#N)cc1 33011066 UHTQFZNCFFMVNJ-UHFFFAOYSA-N 433.533 5.148 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)SC1=S 33317055 GABUXUQILBDUGP-GIDUJCDVSA-N 441.317 5.549 30 10 IKEE C=CCn1c(SCc2ccc(C(F)(F)F)cc2)nnc1-c1cc(OC)cc(OC)c1 35847670 UIUTUVUEOXAWAM-UHFFFAOYSA-N 435.471 5.459 30 10 IKEE C=CCc1ccccc1OCCCn1c([C@@H](C)NC(=O)c2cccnc2)nc2ccccc21 40180746 SXLBCWZOEGFMRH-HXUWFJFHSA-N 440.547 5.120 30 10 IKEE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/Nc2ccc(F)cc2)CCC3)ccc1Cl 40823939 XBPLLTJJFCKGNE-ZXVVBBHZSA-N 426.875 6.061 30 10 IKEE C=CCn1c(SCCC(=O)Nc2cccc(Cl)c2)nnc1-c1cccc(Cl)c1 59794800 SNROZZJQGJJJSB-UHFFFAOYSA-N 433.364 5.559 30 10 IKEE COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/S/C(=N/c3ccccc3)N(C)C2=O)o1 97466782 OXUQISYJXBUFNT-SAPPFYIZSA-N 435.461 5.097 30 10 IKEE CCCCCCCOc1cccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)c1 100246525 BBIWVSIFLXMQLW-UHFFFAOYSA-N 446.616 6.830 30 10 IKEE CCCCCCCCCCCCn1c(CSc2ccc(Cl)cc2)nc2ccccc21 101262113 CEGJTUGXCVAIJX-UHFFFAOYSA-N 443.100 8.903 30 10 IKEE O=C(O)Oc1cccc(/C=C2/S/C(=N\Cc3ccccc3)N(C3CCCCC3)C2=O)c1 101620879 YAGLYSNBIHAEMK-DBSKITMISA-N 436.533 5.549 30 10 IKEE CCCCCCCCC(=O)Nc1cccc(-c2csc(Nc3cccc(OC)c3)n2)c1 102996822 HLCAYNLNSSNUSH-UHFFFAOYSA-N 437.609 7.251 30 10 IKEE CCCCCCCCNC(=O)[C@H]1CCc2sc(NC(=O)c3ccc(Cl)cc3)nc21 103010392 OFEAIJVZJPRYLJ-KRWDZBQOSA-N 434.005 5.555 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2cccc(OC)c2)cc1 169933343 YZUHJBWQSPAMNU-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCCCCCCCCOc1ccc([C@H]2NC(=S)N(C)C3=C2C(=O)CCC3)cc1OC 169936726 AKXXNEXKBPYGQU-XMMPIXPASA-N 444.641 5.693 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccc2OC)c1 169939951 XNDBFVQREJCTNU-QHCPKHFHSA-N 447.462 5.016 30 10 IKEE COc1cc(/C=N\Nc2nc(-c3cccs3)c(C)s2)cc(Br)c1OC 169941671 BNUGJUULXKEVBZ-OCKHKDLRSA-N 438.372 5.406 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(Cl)cc2)c1 169969793 AZUQGXSEAVDTDZ-NRFANRHFSA-N 438.310 6.085 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@@H]2c2ccncc2)c1 170021127 XZXFNNSWHDFXSM-XMMPIXPASA-N 436.467 5.026 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2c[nH]c3ccccc23)cc1 170074057 IPUMYCRVCFYFGT-QHCPKHFHSA-N 426.447 5.398 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@H]2c2ccc(C)o2)cc1 170101722 HYHPOHOYQGUXDD-QFIPXVFZSA-N 435.907 5.895 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccc(O)cc2)c1 170132087 IFMCDLGMEQTAPQ-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(OC)c3)[C@H]2c2cccs2)cc1 170156900 RNEKOZFLGJXKIE-JOCHJYFZSA-N 449.528 5.111 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2CCC)cc1 170215779 VSYAEMTWDIGODS-XMMPIXPASA-N 449.591 6.070 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(F)cc2)c1 170238156 TUXDWLOAMBHPHJ-QHCPKHFHSA-N 449.453 5.537 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccc(F)cc2)cc1C 170239062 FDSBLUWPEHBAGR-DEOSSOPVSA-N 445.490 5.542 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(O)c2)cc1C(C)C 170264224 HBSNMWWQSFTEHK-DEOSSOPVSA-N 449.547 5.354 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@@H]1c1ccccc1C 170277305 UEFYHUBIFRBMJP-QFIPXVFZSA-N 441.955 5.816 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccco1)c1ccc2c(c1)CCCC2 170281954 PIAJPMXOQDMDEH-QFIPXVFZSA-N 435.426 5.220 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccco2)cc1C(C)C 170289372 KFAORPMVZNXYMD-DEOSSOPVSA-N 445.515 5.811 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2ccco2)c1 170296978 NZZWZNMUOGEWKK-XMMPIXPASA-N 445.515 5.464 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2C2CCCCC2)o1 170308318 PYCDAJOAOLCZAD-HSZRJFAPSA-N 437.536 5.595 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1c1ccccc1O 170314673 MOXSXOYEDJHQRH-QFIPXVFZSA-N 441.508 5.698 30 10 IKEE C=CCOc1ccccc1OCC(=O)Nc1cccc(-c2csc(-c3ccccn3)n2)c1 170537970 HBWMJNWEZVGXHX-UHFFFAOYSA-N 443.528 5.454 30 10 IKEE CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)SC1=Nc1cc(C)ccc1C 254445535 RIPRXVWHSDLYBK-BZMHFZIGSA-N 425.579 5.306 30 10 IKEE Cc1ccc(-c2nn(-c3ccccc3)cc2C=Nn2c(-c3cccs3)n[nH]c2=S)cc1 254683591 XLDWYNYOMHTUPU-UHFFFAOYSA-N 442.573 5.713 30 10 IKEE C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@H]([C@]4(C)CCC(=O)O4)CC[C@@]32C)[C@]1(C)CCC(=O)O 257471619 LEKUPXHLKIIVCR-VVLBMDPMSA-N 430.629 6.388 30 10 IKEE biogenic CCCCCCC[C@@H](NCCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 406944058 HSBZUXVSNNBMKM-HXUWFJFHSA-N 441.454 7.197 30 10 IKEE CC(C)(C)c1ccc(CSc2nncn2/N=C\c2ccc(Cl)c([N+](=O)[O-])c2)cc1 526806251 XPAYALGGNIZUTQ-KSEXSDGBSA-N 429.933 5.312 30 10 IKEE Cc1cc(C)cc(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccccc2C)c1 526809751 SUAMHQNSOISDBL-VEILYXNESA-N 440.616 6.163 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccc(N(C)C)cc1 526821994 PQVBFRAHALJLMI-ONUIUJJFSA-N 429.593 5.624 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1ccccc1Cl 526824155 NBKBCUMRMXNREO-KSEXSDGBSA-N 439.799 6.365 30 10 IKEE N#Cc1cccc(CN(c2ccc(C(F)(F)F)cc2)S(=O)(=O)c2ccc(F)cc2)c1 586205293 SQRRVWBLWMFQRP-UHFFFAOYSA-N 434.414 5.112 30 10 IKEE O=C(/C=C\c1ccc(F)cc1Cl)c1c(O)nc2ccc(Cl)cc2c1-c1ccccc1 606443814 JXJFMJNOQPFLSN-XFFZJAGNSA-N 438.285 6.949 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698858045 VPYAVNIDKOHNRX-NLFFAJNJSA-N 449.636 6.018 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@H](C#N)c1cc(Br)c(Cl)s1 710703235 POBXDEDSHOTYBV-CYBMUJFWSA-N 445.741 6.309 30 10 IKEE CCCc1cc[n+](/C(C(=S)Nc2ccc(OC)cc2)=C(/O)c2ccc(C#N)cc2)cc1 762445507 PXALPBJUXICIGK-UHFFFAOYSA-O 430.553 5.130 30 10 IKEE Clc1ccccc1CSc1n[nH]c(NN=Cc2ccc(OCc3ccccc3)cc2)n1 1084462040 XNPFGHCDIMDRJO-UHFFFAOYSA-N 449.967 5.775 30 10 IKEE C=CCOc1ccccc1CN(C(=O)c1cc2c(nc1O)CCC2)c1ccc(C)c(C)c1 1627426078 UZZXXWMNXKQXHS-UHFFFAOYSA-N 428.532 5.305 30 10 IKEE C#CCN(CC(=O)Nc1nc(-c2ccccc2)c(C(C)C)s1)[C@H]1CCc2ccccc21 1641588436 UTNQFLUKICAIOX-QFIPXVFZSA-N 429.589 5.495 30 10 IKEE O=C1/C(=C/c2cccc3ccccc23)SC(=Nc2ccncc2Cl)N1C1CCCCC1 1772733644 AOWZKEPLKBMHPK-FISJVANTSA-N 447.991 6.825 30 10 IKEE Cc1nnc(N=C2S/C(=C\C(Cl)=C/c3ccccc3)C(=O)N2c2ccccc2)s1 1772735818 GPKSXRUIGUZCNT-RHSVRXJKSA-N 438.965 5.778 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(OCCC)cc1 1861372601 BJIVVOZVVWARNM-RUZDIDTESA-N 438.612 5.293 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)COc1cc(Cl)ccc1Cl 1861651399 WDMXRSWLJHIXMM-IBGZPJMESA-N 445.431 5.524 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)/C=C/c1ccc(Cl)c(Cl)c1)c1ccccc1 1862158200 XQDOCMKRDKIXML-SDNYCIMKSA-N 429.347 5.065 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc3c(c2)CCCC3)n(Cc2cccc(Cl)c2)n1 1862359244 OAUYRNBYRNLHOD-UHFFFAOYSA-N 445.994 5.945 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CC)cc1 1862385900 AWFUKFUXTAGBBX-IBGZPJMESA-N 434.319 5.380 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CCCCC2)cc1 1862419775 WRJLDUZGROSGLO-JOCHJYFZSA-N 441.474 5.275 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCOc2ccccc2)cc1 1862429803 VOKFYCWUPIKOEO-QHCPKHFHSA-N 447.918 5.306 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc(OC)c1 1862431144 AKTXVCOSVSAWQY-NRFANRHFSA-N 427.928 5.507 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccccc2OC)cc1 1862473864 HSNNUXISXRSDCS-RUZDIDTESA-N 441.527 5.345 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cccc(O)c1 1862490012 LZHHAOKIGFVMRY-GBXCKJPGSA-N 435.564 5.946 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2cc(Cl)cc(Cl)c2)c1 1862498370 GROPDEMJESRWIE-NRFANRHFSA-N 446.374 6.235 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2cccc3ccccc23)cc1OC 1862574814 ULEIIIVHXJZZGD-DEOSSOPVSA-N 445.515 5.091 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(F)cc2F)cc1 1862659783 AOWDLAMDYXPRBI-QHCPKHFHSA-N 448.469 5.262 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(OC(C)C)c(OC)c1 1862670829 CTKGYTXYRVNIBR-QHCPKHFHSA-N 437.536 5.204 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)c1 1862676789 RBEREMRGFLGMDV-XDHUDOTRSA-N 445.490 5.564 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc2c(c1)CCCN2C 1862722121 VXHNDVGSJDHXEY-RUZDIDTESA-N 440.543 5.211 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1 1862722251 OPCWLSBCQPDLQP-SANMLTNESA-N 446.506 5.527 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)c1 1862737027 RGHNANMKIJCHLJ-BSLALVQMSA-N 434.492 5.060 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(C)ccc2C)=C(c2ccc(OC)cc2)C1=O 1863325659 JCNVGFGRTVISRT-UHFFFAOYSA-N 434.580 5.865 30 10 IKEE CCCCCCCCCCNC1=C(c2cccs2)C(=O)N(CCc2ccccc2)C1=O 1863797628 ZUWGFGJOAYROGI-UHFFFAOYSA-N 438.637 5.801 30 10 IKEE CCCC[C@@H](NC(=O)C[C@@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866737711 CMYUSNDMUBUJFG-CLJLJLNGSA-N 447.623 6.125 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2C)c(CNc2cccc(C)c2C)cc1=O 1870836671 PREXWUZWXISYPR-UHFFFAOYSA-N 446.635 6.783 30 10 IKEE Cc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(Cc1cccc(Cl)c1)C3 1871348090 PPOOEGQUJOMTPC-FMCGGJTJSA-N 431.919 5.925 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(OC)cc4OC)ccc3C2=O)cc1 1871386443 VCLDJZORQMZRSZ-CFRMEGHHSA-N 430.456 5.102 30 10 IKEE CCN(CCc1ccncc1)Cc1c(O)ccc2c1O/C(=C\c1ccccc1Cl)C2=O 1871394365 UAGIHMVZFKCOAI-HAHDFKILSA-N 434.923 5.121 30 10 IKEE O=C1/C(=C/c2c(Cl)cccc2Cl)Oc2cc(OCCOc3ccccc3F)ccc21 1871417831 AVBQRPLAZHMNPV-XKZIYDEJSA-N 445.273 6.207 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(O[C@@H](C)C(=O)Nc3c(C)cccc3C)ccc2C1=O 1871431834 OTDFJMZADOBMTG-QCYAWUEASA-N 427.500 5.634 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(Cl)cc2F)cc2c1C(=O)/C(=C/c1cccs1)O2 1871440545 VDRKHAULZNVIJL-GRSHGNNSSA-N 443.883 5.483 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccc(F)c(F)c4)c3C)C2=O)cc1 1871443549 XJCPRPGSDBTTTG-FMCGGJTJSA-N 449.453 5.469 30 10 IKEE Cc1ccc2oc(=O)cc(COc3cc(C)c4c(c3)O/C(=C\c3sccc3C)C4=O)c2c1 1871460829 HJFCJKUBYPBEGZ-UUYOSTAYSA-N 444.508 5.975 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(CCCC)cc2)[nH]c(N(C)C)n1 1871501842 JXEUPXZQQQQXBE-UHFFFAOYSA-N 426.653 5.998 30 10 IKEE N#C[C@H](C(=O)c1cc2ccccc2oc1=O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872768797 CIROYSGENNPAQT-CQSZACIVSA-N 441.295 5.713 30 10 IKEE COc1ccc(/C=C(/C(=O)[C@@H](C#N)c2nc(-c3cccs3)cs2)c2ccccc2)cc1 1872771093 MCMHLRJCPALENN-JCZXDDDQSA-N 442.565 6.297 30 10 IKEE CC(=O)Nc1ccc(CC(=O)[C@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 1872787096 AWWRACIEDDDPIM-KRWDZBQOSA-N 444.343 5.494 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc2nc(COc3ccc(Cl)cc3)[nH]c2c1 1872811178 LELLDQMKIAIKNY-UHFFFAOYSA-N 442.003 6.666 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2OCC(C)C)=C(c2cccnc2)C1=O 1873269594 YOBKBBXVQBTPNV-UHFFFAOYSA-N 449.595 5.669 30 10 IKEE N#Cc1ccccc1NC1=C(c2ccc(-c3ccccc3)cc2)C(=O)N(Cc2ccco2)C1=O 1873273010 OGNVUTQPHOLVAC-UHFFFAOYSA-N 445.478 5.210 30 10 IKEE C=CCn1c(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc2c(NCCCCCC)ncnc21 1873638622 CCYHWELKGJJLPD-UHFFFAOYSA-N 436.516 5.078 30 10 IKEE C=CCOc1ccccc1OCC(=O)Nc1nc(-c2c(C)[nH]c3ccc(OC)cc23)cs1 1873745967 ZHRFUOZJZLMRRM-UHFFFAOYSA-N 449.532 5.191 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1cccc(OCC)c1 1874230780 BSTOALXVOHVQTN-ZVHZXABRSA-N 442.972 5.378 30 10 IKEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1c(F)cccc1Cl 1874284805 ZHJCGHGGBYJGNO-ZMOGYAJESA-N 435.355 5.670 30 10 IKEE CCCCC1CCC(c2nnc(SC)n2/N=C/c2ccc(N(CC)CC)cc2)CC1 1874285866 BYFPOWCMEPQYRH-XIEYBQDHSA-N 427.662 6.192 30 10 IKEE CCCSc1nnc(CCc2cccc(OC)c2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874310740 LKOLBPHUTGIBRK-NLRVBDNBSA-N 436.625 5.754 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2Cl)n1/N=C/c1cccs1 1874395064 CKUUDCDPMHROCY-GCMSVZMUSA-N 439.009 6.319 30 10 IKEE CCCOc1c(/C=N/n2c(CCc3ccccc3)nnc2SCCC)cccc1OC 1874404548 DNDDHDJXEVWCQW-XIEYBQDHSA-N 438.597 5.245 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2-c2cccs2)c1 1874420674 XZNBKJWPXDLDKH-BUVRLJJBSA-N 434.590 5.888 30 10 IKEE Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1ccccc1F 1874427038 NCZHEEWEQGVJRI-CVKSISIWSA-N 445.523 5.006 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(CC(C)(C)C)n1/N=C/c1cccs1 1874436877 DXMDVXKPCLNMID-OEAKJJBVSA-N 441.626 5.104 30 10 IKEE Oc1cccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2[C@H]2CCCO2)c1 1874450634 HDUPBMFPQCXVCC-TYLRVVQJSA-N 449.363 5.317 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C(C)(C)C)cc1 1874482759 LURNOBQOQQXNAT-OEAKJJBVSA-N 439.541 5.057 30 10 IKEE Cc1ccc(OCc2nnc(S)n2/N=C/c2c(F)cccc2Cl)c(C(C)(C)C)c1 1874569190 LMELGKDJGABREJ-BHGWPJFGSA-N 432.952 5.426 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2cc(C)cc(C)c2)cc1F 1874582477 PLXIMHPVLCQYHP-CSKARUKUSA-N 433.479 5.365 30 10 IKEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(F)cc1)Nc1ccc(F)cc1 1874584002 RAVGSUBJEHDRJF-QDEBKDIKSA-N 427.834 5.532 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)c1OCC(=O)Nc1ccccc1 1874586070 UQPCCVVVOWCXNI-BUHFOSPRSA-N 445.515 5.234 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccccc1OCC(=O)NCc1ccccc1 1874588882 JTPUNROWKGLGTB-OUKQBFOZSA-N 449.934 5.248 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OCCc1ccccc1 1874601301 COTZMNRVAAKMDH-CPNJWEJPSA-N 448.562 7.270 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2OC)cc(OC)c1OCc1ccc(C)cc1 1874611684 PRHVROQZJYRXER-FOCLMDBBSA-N 428.528 6.216 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OCC)c(OC)c2)cc1OCCC 1874612880 QERNIWIMSHFKIA-CSKARUKUSA-N 432.944 6.221 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2OC)o1 1874618643 LPMXOKQYJOMRPZ-DHZHZOJOSA-N 434.488 5.557 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OCc1ccccc1F 1874626997 HGKDTRMHAYZEEF-ZRDIBKRKSA-N 448.534 6.750 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1Cl 1874631825 WIAJWECCJNRYAR-JLHYYAGUSA-N 447.962 6.433 30 10 IKEE CCCNC(=O)COc1c(Cl)cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OC 1874634117 LYHYKOBHEZCNKI-BQYQJAHWSA-N 429.944 5.075 30 10 IKEE CCCCCCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1CC 1874690139 DPZCIGMDRHRLEK-AREMUKBSSA-N 447.623 6.147 30 10 IKEE Cc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc4ccccc4c3)c2)cc1[N+](=O)[O-] 1874693592 MWBLDZXXABRZIN-GXDHUFHOSA-N 437.451 6.172 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(F)c(C)c3)c2)cc1 1874695779 RHXDIAXSGSBNTL-FOWTUZBSSA-N 430.519 6.521 30 10 IKEE CCCCCCCCC(=O)Oc1cccc(/C=C/C(=O)c2ccc(Br)cc2)c1 1874697463 ZBEPUPBHIAETFC-SFQUDFHCSA-N 443.381 7.001 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cccc(Cl)c3)c2)cc1 1874701389 QHHSOYZXEGKHNA-NTUHNPAUSA-N 436.891 5.863 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)C3CCC3)c(Br)c2)cc1OC 1875098889 SCYFIZBVAXZWCC-RMKNXTFCSA-N 445.309 5.068 30 10 IKEE O=C(COc1ccc(Cl)cc1)Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1 1875111668 NLVPGLIAMJLTSQ-VGOFMYFVSA-N 427.283 5.874 30 10 IKEE Cc1ccsc1C(=O)Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1[N+](=O)[O-] 1875113793 YDQXEBHSKHYRKP-SOFGYWHQSA-N 427.865 5.733 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3OC)cc2Cl)cc1 1875118512 ANGVSGRSEFUKJP-RIYZIHGNSA-N 436.891 5.863 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC(=O)Cc1ccccc1F 1875122325 XXEWSYROBPGNQU-ZRDIBKRKSA-N 438.882 5.922 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1Br 1875128034 KGQATLZGJRXBRE-SDNWHVSQSA-N 435.317 5.883 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3Br)cc2)c1 1875138422 VSOHSBLWGBOIKA-SDNWHVSQSA-N 435.317 6.181 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3c(F)cccc3Cl)c(Cl)c2)c1 1875139339 DCRZAGDICKHALX-CSKARUKUSA-N 443.301 6.865 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)c1ccccn1 1875142679 OVQGBBNSRHPECM-FMIVXFBMSA-N 431.463 5.382 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC(=O)c1ccccc1 1875151581 RUXBCTCKFBEWCI-ZRDIBKRKSA-N 442.467 5.268 30 10 IKEE CC(C)CC(=O)Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1Br 1875154991 HMYSXGCBPYUFSB-ZRDIBKRKSA-N 437.333 6.450 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])c1 1875159398 BUFRLBROQUVXRD-LFYBBSHMSA-N 449.434 5.177 30 10 IKEE O=C(Cc1ccccc1F)Oc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] 1875162543 NCPNJUZYURIYRK-WEVVVXLNSA-N 441.361 5.056 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)[C@@H]1CCCO1 1875181508 JTDRLKOMZXEXJY-DUIUGDAFSA-N 428.912 5.254 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc(OC)c1OC(=O)CCCC 1875189701 CPYVHWXPBIFRAA-OUKQBFOZSA-N 436.548 6.041 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)[C@H](C)c3ccc(CC(C)C)cc3)ccc21 1890676962 BWXTUYOJMQNKAE-LJQANCHMSA-N 434.580 5.565 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CCC[C@]2(C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 1918330429 VKZGZDYDCHBSKP-RUZDIDTESA-N 447.620 5.630 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](O)c1c(Cl)cccc1Br 1922047996 XKYSCNBWXJTHGT-NHCUHLMSSA-N 438.793 5.277 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@H](N(C)C(=O)OC(C)(C)C)C(F)(F)F)NCCC 1922115444 HNTGRAPGWVNOKC-UXHICEINSA-N 444.538 5.316 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@]1(C#N)CCN(Cc2ccccc2)CC1(C)C 1934060280 FHVIEQQOIPJUDX-HHHXNRCGSA-N 433.596 5.618 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1949539271 OCTVKHYIXQECCY-DEOSSOPVSA-N 435.609 5.343 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(Cc3ccccc3)CC2(C)C)c1 2037436220 ZADFBOYGVKQAJK-HHHXNRCGSA-N 433.596 5.931 30 10 IKEE C=CCNC(=O)[C@@H](C)OC(=O)c1c2c(nc3ccccc13)C(=Cc1cccs1)CCC2 2041502861 BIPIQBZJHZFACR-MRXNPFEDSA-N 432.545 5.021 30 10 IKEE C=CC1(NCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCCCC1 2071266777 IIULIDRKNGZGGT-UHFFFAOYSA-N 427.588 6.823 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2071500519 HHKSVIJVGRYWJS-LNZPYGSCSA-N 445.535 5.249 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@H](C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2077948324 RNZKLNJFBSIGAI-RBUKOAKNSA-N 447.551 5.495 30 10 IKEE ON=Cc1c(C2CCC2)nn([C@@H](c2ccc(C3CCC3)cc2)C2CC2)c1Br 2079957264 JVVOBTJYITZAAS-NRFANRHFSA-N 428.374 5.988 30 10 IKEE CCOc1ccc([C@@H](n2nc(C(F)(F)F)c(C=NO)c2Br)C(C)(C)C)cc1 2080114835 XUNFZUNKTOEYDY-OAHLLOKOSA-N 448.283 5.507 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]([C@@](C)(C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)CC1 2082140885 SMMBFUQSBZTXOD-HHJKRLRDSA-N 449.636 5.922 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCCC(F)(F)CC1 2097429440 KBMCFISDINIILY-GOSISDBHSA-N 429.305 6.052 30 10 IKEE CCCc1ncc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)s1 2114348150 QMRILWFTIXKJAG-OAHLLOKOSA-N 436.375 5.864 30 10 IKEE C=CC1(C[C@H](NC)[C@@H](Cc2ccc(Br)cc2)NC(=O)OC(C)(C)C)CCC1 2168021886 CAUMWBNINOQXQS-MOPGFXCFSA-N 437.422 5.219 30 10 IKEE CC(C)N(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cc(Br)cc(C#N)c1 2174808268 LWWUZHGLJXQOMA-UHFFFAOYSA-N 436.394 5.183 30 10 IKEE CC(C)N(C[C@H]1CCCN1C(=O)OC(C)(C)C)c1cc(Br)cc(F)c1C#N 2174811446 YCNXLALFEKVFFV-OAHLLOKOSA-N 440.357 5.074 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CC[C@H]2Nc2cc(Br)c(C#N)cc2F)CC1 2189324239 YIGGLQQUNHQRIZ-QGZVFWFLSA-N 438.341 5.051 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCCC)c2ccc(Br)c(F)c2)C1 2198183666 NPHBOYPPBFFNIO-GOSISDBHSA-N 441.385 5.490 30 10 IKEE N#CC[C@@H](Nc1ccc(Br)cc1I)c1ccccc1 2231675237 UTNHPJNAHWZQJL-CQSZACIVSA-N 427.083 5.121 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)C(C)(C)[C@H](CC)NC(=O)OC(C)(C)C 2235731441 QKSCFPJNVMHCPD-OALUTQOASA-N 437.422 5.108 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@@]1(C#N)[C@H]2CCC[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 2249384141 KCCUHTWIPSQAKX-PCFUMONKSA-N 435.609 5.245 30 10 IKEE N#Cc1cccc(Br)c1Nc1cc(Cl)ccc1I 2257487522 ZANSZPJEDIVXEX-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)Nc1ccc(OCc2ccccc2)cc1 2267521917 UTQOGWUKRNELDT-UHFFFAOYSA-N 449.381 5.187 30 10 IKEE Cc1ccc(C(=O)N(Cc2ccccc2)[C@H](C)C(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2267599905 XMVYQPGNOMIPHE-HXUWFJFHSA-N 435.417 5.371 30 10 IKEE CC(C)(C)OC(=O)NCc1ccc(Nc2c(Br)cccc2C#N)cc1Cl 2269737054 DKPYDZDNFQHGDF-UHFFFAOYSA-N 436.737 5.742 30 10 IKEE CC1(C)OB(c2ccc(NC(=O)Nc3ccc(OCc4ccccc4)cc3)cc2)OC1(C)C 2282775591 XENBVUWNLIFHIE-UHFFFAOYSA-N 444.340 5.209 30 10 IKEE CCCN[C@@H](C#CC1CCCC1)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2289694039 SCIUPZBRIBURQT-IBGZPJMESA-N 435.406 6.030 30 10 IKEE CCN(CC)Cc1c(C)c2c(c(CN(CC)CC)c1O)OC(=Cc1ccccc1F)C2=O 2296869831 LEKPJYJBXWIFAG-UHFFFAOYSA-N 440.559 5.140 30 10 IKEE O=C1C(=CC=Cc2ccccc2)Oc2cc(OCc3c(F)c(F)c(F)c(F)c3F)ccc21 2314437814 XHEBTDIKJNMGDA-UHFFFAOYSA-N 444.355 6.134 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCc4ccc(Br)cc4)cc(C)c3C2=O)cc1 2321842194 XQQQAIKIXYPWAZ-UHFFFAOYSA-N 435.317 6.261 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(S)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2321962118 ONUJDNNBHKLNBC-KRWDZBQOSA-N 448.979 5.833 30 10 IKEE CCc1ccc([C@@H](C)N2COc3ccc4c(c3C2)OC(=Cc2sccc2C)C4=O)cc1 2322260176 NWUIMRTUYPGVHS-QGZVFWFLSA-N 431.557 6.148 30 10 IKEE COc1ccc([C@H](C)N2COc3c(cc4c(c3C)OC(=Cc3ccccc3)C4=O)C2)cc1 2322437194 JYRNRFRXEDBHQH-SFHVURJKSA-N 427.500 5.533 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(C)cc2)c1OCc1c(F)cccc1Cl 2322593637 WNMHMGPLOGJKON-UHFFFAOYSA-N 445.317 6.925 30 10 IKEE Cc1cc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2ccccc2C)ccc1F 2322634754 CCIAXYSREVUZMW-UHFFFAOYSA-N 437.898 6.010 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cc(Br)cc(OC)c1OC 2322775449 ZICWQNSPQLXCFH-UHFFFAOYSA-N 433.342 5.669 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(F)c(F)c2)c1OCc1cccc(Cl)c1 2322781509 ZCJWKIBPSXIYNT-UHFFFAOYSA-N 449.280 6.755 30 10 IKEE CCCOc1c(C=CC(=O)c2cc(Cl)ccc2Cl)cc(Br)cc1OC 2323002962 BWVOHKLHHNFVIE-UHFFFAOYSA-N 444.152 6.449 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2OC)cc1OCC(=O)Nc1ccc(C)c(C)c1 2323101709 VPXOYUYOJXKOEY-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE CCn1cc(C=C2Oc3cc(OC(=O)Cc4ccc(F)cc4)ccc3C2=O)c2ccccc21 2323226419 IUUBBECJLAVNIB-UHFFFAOYSA-N 441.458 5.565 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc1OCCc1ccccc1 2323231746 JKAWCFAKMNNQHN-UHFFFAOYSA-N 444.571 6.653 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cccc(OCC(=O)Nc2nccs2)c1 2323289260 TXYRPMNUYLYVPP-UHFFFAOYSA-N 442.924 5.027 30 10 IKEE Cc1cc(OC(=O)C=Cc2cccc([N+](=O)[O-])c2)cc2c1C(=O)C(=Cc1ccc(F)cc1)O2 2323434575 LTZLITMQULNMQW-UHFFFAOYSA-N 445.402 5.277 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)cc1F 2324107533 WGDVRQNBQGWHKC-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccccc2Cl)C3=O)cc1 2324380758 NRHKYZLLMUCLGM-QGZVFWFLSA-N 447.918 5.979 30 10 IKEE Cc1cccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4cc(C)ccc4C)ccc3C2=O)c1 2324455690 HEZYLRCAZZCPEW-IBGZPJMESA-N 427.500 5.634 30 10 IKEE Cc1cccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4cccc(C)c4C)ccc3C2=O)c1 2324498795 OWKMZKKNTMTYBD-IBGZPJMESA-N 427.500 5.634 30 10 IKEE Cc1ccc(OCCCCOc2ccc3c(c2C)OC(=Cc2cccc(F)c2)C3=O)cc1 2324588840 IFEPNUPGIDOZLC-UHFFFAOYSA-N 432.491 6.297 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCCc3ccccc3)c([N+](=O)[O-])c2)cc1Cl 2324611303 CEEJDLMTVPOGLK-UHFFFAOYSA-N 437.879 5.774 30 10 IKEE Cc1cc(C)c(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(C(C)(C)C)cc3)n2)c(C)c1 2324787753 NNIVUYRRXYJSOF-JOCHJYFZSA-N 428.601 6.923 30 10 IKEE COc1ccc(C)cc1NC(=O)COc1ccc2c(c1)OC(=Cc1cccc(Cl)c1)C2=O 2325118765 OCMTWQPKYQUWFM-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1 2325614148 SZXNBLCMDWVDRH-KRWDZBQOSA-N 445.490 5.973 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C=CC(=O)c3c(C)cc(C)cc3C)ccc2OC)cc1 2325764219 VEIDUWRWMYZILO-UHFFFAOYSA-N 444.527 6.134 30 10 IKEE CCOc1cc(C=Nn2c(CC)nnc2SCc2ccc(F)cc2)ccc1OC(C)C 2326241136 ZAAZLWKEWFLGEZ-UHFFFAOYSA-N 442.560 5.340 30 10 IKEE CCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1ccc(OC)c(O)c1 2326327786 GPMJWWWVSDPLJC-UHFFFAOYSA-N 438.597 5.417 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc(F)cc1 2326592321 NSAJAFAWDXDHHI-UHFFFAOYSA-N 430.552 5.906 30 10 IKEE CCCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1N=Cc1ccc(Cl)cc1 2326798014 XLMKREATJWVHHJ-UHFFFAOYSA-N 442.972 5.235 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc(OC)c2)n1N=Cc1c[nH]c2ccccc12 2328636489 DIHWTGKDDIWOGG-UHFFFAOYSA-N 431.565 5.104 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2)n1N=Cc1cc(Cl)ccc1O 2328744573 TZUGKRQSSBZIIA-UHFFFAOYSA-N 442.972 5.199 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2)n1N=Cc1c(Cl)cccc1Cl 2328754261 NBTCVPASDWHAPF-UHFFFAOYSA-N 449.407 5.981 30 10 IKEE COc1ccccc1C=Nn1c(Cc2ccccc2F)nnc1SCc1cccc(C)c1 2329717037 ANQABAMASQBVGT-UHFFFAOYSA-N 446.551 5.500 30 10 IKEE CCOc1cccc(C=Nn2c(Cc3cccs3)nnc2SCc2ccccc2C)c1 2330330845 NPTMUCKOKACHBB-UHFFFAOYSA-N 448.617 5.812 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C(F)(F)F)c(Cl)c1)c1ccc(-c2ccccc2)cc1 2330598757 PLHCHXAQIOFCTD-UHFFFAOYSA-N 430.809 6.371 30 10 IKEE O=C(O)c1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2-c2ccccc2)cc1 2330684793 HARYAEMLJONLKS-UHFFFAOYSA-N 448.935 5.471 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(CC(C)(C)C)n2N=Cc2ccc(C)cc2)o1 2330839611 BDORKTCMZBGMDP-UHFFFAOYSA-N 440.569 5.119 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)cc3)c(OC)c2)cc1C 2330879195 STZGOYOLLYLYFI-UHFFFAOYSA-N 434.463 5.196 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(OCC(C)C)cc3)cc2)cc1 2330952176 RDHCUTWIRKYGSM-UHFFFAOYSA-N 430.500 5.845 30 10 IKEE Clc1ccccc1CSc1nnc([C@H]2CCCO2)n1N=Cc1c[nH]c2ccccc12 2330965825 SMKFBGBKWOYQAT-HXUWFJFHSA-N 437.956 5.439 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccc(C)cc3C)c(OC)c2)cc1 2330990231 ZYGGHEQAGZVMHU-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(Br)cc2)cc1)c1cccc(Cl)c1 2331117839 QMHYKPIZBWMTRZ-UHFFFAOYSA-N 441.708 6.218 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H](C)c3ccccc3)c([N+](=O)[O-])c2)cc1 2331201460 BKQXGYLGGDHGAW-GOSISDBHSA-N 445.471 5.599 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)C(c3ccccc3)c3ccccc3)cc2)c(C)c1 2331216016 PVRSUVHIYRYZFU-UHFFFAOYSA-N 446.546 6.937 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC(=O)C(F)(F)F 2331412949 VKTVEAFJRRPYDM-UHFFFAOYSA-N 436.426 5.365 30 10 IKEE CC(C)Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1cccc2ccccc12 2331444142 RDSCMVAVMUHATA-UHFFFAOYSA-N 445.548 5.713 30 10 IKEE COc1ccc(OC)c(C=Nn2c(CC(C)C)nnc2SCc2ccccc2Cl)c1 2331456872 PJIGMLUNSUZRQD-UHFFFAOYSA-N 444.988 5.322 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CCC2)cc1 2331541350 PCJSEYMZWHTDMD-UHFFFAOYSA-N 441.000 6.162 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C2CCC2)cc1 2331543349 CZHOEPONTJCOGF-UHFFFAOYSA-N 447.391 6.036 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(F)c3)cc2)cc1 2331554958 VEJCDYDHKQNDCD-UHFFFAOYSA-N 436.454 5.934 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1Cl 2331706361 HJXXCOIZBJXJTJ-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE N#Cc1c(Br)cccc1OCc1cc(Br)cc(Br)c1 2337072934 PHKRKAODVLRXLZ-UHFFFAOYSA-N 445.936 5.425 30 10 IKEE CC1(C)CCCC[C@@]1(C#N)Cc1ccc(I)c(Br)c1 2349879135 ZOFXWVBAIPYONM-INIZCTEOSA-N 432.143 5.706 30 10 IKEE CC1(C)OB(C=Cc2ccc(NCc3ccccc3OCc3ccccc3)nc2)OC1(C)C 2365065606 GRGYEHQXCKWVPB-UHFFFAOYSA-N 442.368 5.917 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Oc2ccc(C#N)cc2[N+](=O)[O-])ccc1Br 2370353443 QIAUBUGKGYTABZ-UHFFFAOYSA-N 434.246 5.368 30 10 IKEE CC[C@@H](C(=O)Nc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1)c1ccccc1 21002342 ZPJGJHMCIRXURS-QPLBDWIMSA-N 448.360 6.478 30 10 IKEE Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(Cl)cc2Cl)cc1 21223450 VYBZJYYVDKOCNW-WGDIFIGCSA-N 449.381 7.281 30 10 IKEE COc1ccc(OC)c([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)c1 21223824 ZAHBZGMXAWUNEJ-CRYYWNKWSA-N 444.506 5.822 30 10 IKEE C=CCn1c(SCc2ccccc2C(F)(F)F)nnc1-c1cc(OC)cc(OC)c1 35847674 CGFFMNMQTKKAPR-UHFFFAOYSA-N 435.471 5.459 30 10 IKEE COc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cn(C)c4ccccc24)C3=O)c1 41287710 SELJJCXRBWBRPL-CFRMEGHHSA-N 439.467 5.331 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OC(=O)c4cccc(C)c4)c3C)C2=O)c1OC 41355145 CUDKOFZMTISROG-HMAPJEAMSA-N 430.456 5.156 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OCc4ccccc4F)cc(C)c3C2=O)c2ccccc21 41435397 CNBHRVLKHFMINI-MXAYSNPKSA-N 427.475 6.304 30 10 IKEE CCCCCCCCCCCCCCCCNCc1ccccc1OC[C@H]1CCCO1 100125448 FXMFMELKOWSEED-HHHXNRCGSA-N 431.705 7.815 30 10 IKEE CCCCCCCCCCCCCCc1ccc2nc3ccc4ccccc4c3cc2c1 103004587 LSKMZHFLTTYTKO-UHFFFAOYSA-N 425.660 9.785 30 10 IKEE O=C1Nc2cc(Br)cnc2N/C1=C/C(=O)c1ccc(C2CCCCC2)cc1 104498451 JMNDCOXBLMQSMC-WOJGMQOQSA-N 426.314 5.023 30 10 IKEE CC(C)(C)c1ccc([C@@H]2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2c2nccs2)cc1 108198563 BDMQWHROPODKCK-LAFOYAEKSA-N 436.508 5.206 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccc(OC)cc1OC 135880016 SFCOXZSJDYHGGJ-QRVIBDJDSA-N 430.961 5.076 30 10 IKEE CCCCCCCC/C=C/CCCCCCCCCCCC(=O)N(CCO)CCO 135979205 VVZUSTMGQZYVLJ-MDZDMXLPSA-N 425.698 6.398 30 10 IKEE CCN1C(=S)N[C@H](c2ccc(Oc3cccc(C)c3)cc2)C(C(=O)c2ccccc2)=C1C 169931995 DFOOIBIOMWYUHW-RUZDIDTESA-N 442.584 6.195 30 10 IKEE CCCOc1ccc(/C=N\Nc2nc(-c3ccccc3)c(C)s2)cc1Br 169942611 UFUADKQSWSLCEW-XKZIYDEJSA-N 430.371 6.116 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccc(O)cc2)c1 169964895 QINAFXOOMDJLBX-RUZDIDTESA-N 441.527 5.404 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2cccc(C)c2)cc1 169967550 QVPLXVCKEPZKTI-SANMLTNESA-N 439.555 6.464 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2C2CCCC2)cc1 170034027 MYIDCYQPCUDKMN-XMMPIXPASA-N 449.547 5.313 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(O)c(Cl)c2)c1 170041393 JMQBGNTYLOLQDW-OAQYLSRUSA-N 437.879 5.034 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccccc1 170048361 BVQPASVINMJPNT-JOCHJYFZSA-N 433.891 5.127 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@@H]2c2ccccc2)cc1 170052734 BQRWJDWADHCDCP-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2cccc(O)c2)c1 170080562 JPEIVKJTTVRLJV-XMMPIXPASA-N 443.499 5.191 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccccc2C)cc1 170088603 CBZRIQNCLGBCRS-XMMPIXPASA-N 427.500 5.349 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(O)cc1 170133464 JXFCGSJMTNHSFF-RUZDIDTESA-N 435.479 5.637 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(O)cc1)c1ccc(Cl)c(Cl)c1 170134380 KPGJQBYWNGOZSQ-LJQANCHMSA-N 444.270 5.071 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)cc4)[C@@H]3c3cccs3)oc12 170155949 VEVDVFQCINPMKG-HXUWFJFHSA-N 449.459 5.425 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1cccs1)c1cccc2ccccc12 170157315 DOGIZSKVVWONFJ-JOCHJYFZSA-N 427.481 5.390 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2cccs2)cc1 170161223 LIFNBUFLUJPLSW-QHCPKHFHSA-N 436.492 5.556 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(Cl)c3)[C@H]2c2cccnc2)cc1 170189293 XGAPSKMQAHDDCO-HXUWFJFHSA-N 439.298 5.480 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccc(F)cc1 170238186 LGSRGEXILHCEJG-QFIPXVFZSA-N 449.453 5.373 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@@H]1c1ccccc1F 170252755 NMKMGSFSEBELIV-QFIPXVFZSA-N 425.500 5.336 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccco2)cc1 170281134 RPOOTAWRKWWABA-UPCLLVRISA-N 443.499 5.509 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(C)o2)cc1 170299723 FUBIGROOAOUQHY-JOCHJYFZSA-N 435.451 5.299 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@@H]1c1c(C)[nH]c2ccccc12 170312220 RLNYOKMDOWKCRO-DEOSSOPVSA-N 446.547 5.597 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C2CCCC2)cc1O 170322836 QZAXQCXLUQROBW-XMMPIXPASA-N 443.499 5.075 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)c1 170344463 FAXJKNPYWMZXJS-HXUWFJFHSA-N 438.405 5.192 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(F)cc1)c1ccco1 170376862 GTHGPPFWZNVNLQ-GOSISDBHSA-N 432.234 5.508 30 10 IKEE CC(C)C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(OCc2ccccc2)cc1 170437926 BADPXJIZQUZOSX-XMMPIXPASA-N 427.500 5.391 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 170470874 AWWPQIUCALCQIH-QFIPXVFZSA-N 435.564 5.504 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N[C@H]1CCOc2ccc(C)cc21 170493587 ITHIYFIGSMVNFM-SANMLTNESA-N 429.689 8.196 30 10 IKEE CCN1C(=O)/C(=C/C=C2\Sc3ccccc3N2CC)SC1=Nc1ccccc1Cl 252593057 BISOAEKHCGVFAS-NPGUWRAMSA-N 442.009 6.280 30 10 IKEE CC(=O)ON=C(C)[C@]12C[C@H]1C[C@@H]1[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 252605156 GGQIDQJAIYDGEX-BHHKCJQWSA-N 427.585 5.436 30 10 IKEE CCc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CC)cc1 252624592 PRHZXBLIJBDRNO-LJQANCHMSA-N 429.973 5.191 30 10 IKEE CCOc1ccc(/C=C2/SC(=Nc3ccccc3)N(CCOC)C2=O)c2ccccc12 252626124 QXBDYDYTACEPOV-SUOSWRNOSA-N 432.545 5.489 30 10 IKEE CCc1ccc2oc(-c3cc(N=Cc4cc([N+](=O)[O-])cc(OC)c4O)ccc3O)nc2c1 252626681 RDLZAQROXBLBHH-UHFFFAOYSA-N 433.420 5.136 30 10 IKEE CC(=NOCc1ccccc1)c1ccc(Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 254431828 BGRLTGLHPSQDTB-UHFFFAOYSA-N 426.520 5.169 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=S)Nc3ccccc3)cc2)cc1 254594750 UJRHEXMDTACHBG-UHFFFAOYSA-N 433.533 5.015 30 10 IKEE CCOc1ccc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1Cl 526515033 HDGAIIJPMDUPDV-OAQYLSRUSA-N 436.920 5.729 30 10 IKEE N#Cc1ccccc1NC1=C(Sc2ccccc2)C(=O)N(c2ccc(Cl)cc2)C1=O 526657601 ICWPNEQRFROYGQ-UHFFFAOYSA-N 431.904 5.201 30 10 IKEE CC(C)Oc1c(Cl)cc(/C=N\n2cnnc2SCc2ccc(F)cc2)cc1Cl 526801137 BLZAJLNNMANQTQ-OPVMPGTRSA-N 439.343 5.686 30 10 IKEE Oc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccc(Cl)cc2)cc1 526809113 XZPVOJJOLYOLOO-MYYYXRDXSA-N 434.952 5.402 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1cccs1 526824753 RVZUZNDQHUPHBL-NHDPSOOVSA-N 425.410 6.164 30 10 IKEE C=CCCN(C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586135474 YWMWBGWCXCSXHU-UHFFFAOYSA-N 446.399 6.350 30 10 IKEE C=CCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1cc(C)c(C)cc1OC 586214385 CHLHVLVEJYHKBV-UHFFFAOYSA-N 437.561 5.272 30 10 IKEE CCc1ccccc1N(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586240157 UBKPLZIVMKMARX-UHFFFAOYSA-N 445.371 5.823 30 10 IKEE CCCCCCCCCOc1ccc(-c2nc3ccccc3n2Cc2ccccc2)cc1 586475066 OWQBRFZRFLNHAZ-UHFFFAOYSA-N 426.604 7.881 30 10 IKEE C=CCN(CC=C)C(=O)Nc1cccc(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)c1 586673236 MSRYOXUDGJUWBW-UHFFFAOYSA-N 438.742 6.105 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCN(C(=O)OC(C)(C)C)CC1 704044325 RTQCSQVEVYUEGZ-XMMPIXPASA-N 429.561 5.420 30 10 IKEE C=CC[C@H](C)[C@@H](NCCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 715785691 BTETVLJCYZJXAD-PWIZWCRZSA-N 439.438 5.465 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 724082495 VZYMYFCDHAVLBM-NLFFAJNJSA-N 443.588 5.401 30 10 IKEE Cc1ccc([N+](=O)[O-])c(C)c1[C@H](C#N)OC(=O)[C@@H]1[C@@H](/C=C(/Cl)C(F)(F)F)C1(C)C 1614949809 OFRLMCIHHTXJPU-OESQLXMUSA-N 430.810 5.277 30 10 IKEE C=CCN1C(=O)[C@H](Cc2cc(Cl)cc(Cl)c2)SC1=Nc1ccc(C(=O)O)cc1 1772727856 CYJHQGYNKDKACP-KRWDZBQOSA-N 435.332 5.052 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(-c3ccccc3Cl)o2)SC1=Nc1cccnc1Cl 1772736758 MQCRMSAOKLFBEV-JLFKZYKSSA-N 444.343 6.272 30 10 IKEE Cc1nnc(N=C2S/C(=C\c3ccc(C(C)C)cc3)C(=O)N2C2CCCCC2)s1 1772738354 OYDTZXIKFVBEFM-YDOFSLMMSA-N 426.611 5.907 30 10 IKEE C=CCN(CC=C)c1cc(-c2cc3cnccc3c(N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)n2)ccn1 1857831145 VGDCIMUIJKZJKA-VWEIPLKFSA-N 439.607 6.107 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)c1ccc2nc(C)c(C)nc2c1 1861394350 DQOLNNHWWGHCOH-XMMPIXPASA-N 438.616 5.108 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)c1cccc(OC(C)=O)c1 1861470035 WLLLJFIEVQQBFH-QHCPKHFHSA-N 432.605 5.157 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(C)cc1 1862379996 QQMHZZJPJGOORK-FQEVSTJZSA-N 448.346 5.307 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(Cl)cc1Cl 1862408164 FZFHTORBIKHAPV-XCLFUZPHSA-N 448.346 5.687 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1cccc(Cl)c1 1862416479 GVYBIJOITZAWNR-HXUWFJFHSA-N 433.882 5.777 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2cccnc2)cc1 1862432180 YDESPHYACBTNIL-JOCHJYFZSA-N 432.907 5.076 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1cccc(F)c1)c1cccc(Cl)c1 1862445535 XZHHAVRQRRTUEB-LJQANCHMSA-N 427.884 5.319 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc2cc[nH]c2c1 1862464179 QTLXEUCVOWBZJY-OAQYLSRUSA-N 442.437 5.210 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccc(Cl)cc2)cc1 1862477366 WJMFGZIVWXZJEQ-NRFANRHFSA-N 427.928 5.042 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccccc2Cl)c1 1862491205 NNTBOPQQWYFBCO-QHCPKHFHSA-N 431.919 5.735 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2cccc3ccccc23)c1 1862494355 LHHNLXVUECQQBW-VWLOTQADSA-N 443.543 5.198 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(OCC)c(OCC)c1 1862541442 LLNYJWIQMXOYAR-HSZRJFAPSA-N 437.536 5.035 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccccc1)c1ccc2c(c1)CCCC2 1862544205 YNJGZRKXEREIOI-VWLOTQADSA-N 429.560 5.867 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(O)c1 1862580109 DPNZVOCUKYLNBI-HXUWFJFHSA-N 448.346 5.858 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccccc1Cl 1862594344 CMLPMXJGFZXABI-IVZQSRNASA-N 433.891 5.385 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862618436 DGGKNZQAUVMWAT-BTYIYWSLSA-N 436.508 5.269 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCCCCCCC)cc2)[C@H]1c1ccccc1 1862730909 IDIMNOBSAFQQLS-XMMPIXPASA-N 433.548 5.800 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 1862736539 JRMKFVNFIZEKJF-SIKLNZKXSA-N 436.508 5.532 30 10 IKEE CC(C)Oc1ccc(/C=C(/C(=O)N2CCn3c(C#N)ccc3[C@@H]2C)c2ccccc2)cc1 1866310058 SKIBJBHQQIYPJO-SVVBGHPLSA-N 425.532 5.291 30 10 IKEE COc1ccc2c(c1)C[C@@H](C)CN2c1cc(Nc2cccc(C#N)c2)nc(-c2ccccc2)n1 1868354640 IJSQULNLXCIOGA-LJQANCHMSA-N 447.542 6.098 30 10 IKEE Cc1ccccc1-c1ccc(-n2nnc(C#N)c2NC(=O)c2ccccc2C(F)(F)F)cc1 1870159605 MBEQWHAVNHBJNS-UHFFFAOYSA-N 447.420 5.386 30 10 IKEE C=CCOc1cn(CCCCc2ccccc2)c(CNc2cc(OC)cc(OC)c2)cc1=O 1870809411 BERKRKVRQFLOIT-UHFFFAOYSA-N 448.563 5.065 30 10 IKEE C=CCOc1cn(CCC2=CCCCC2)c(CNc2ccc(Cl)c([N+](=O)[O-])c2)cc1=O 1870813595 SETKUDQJDMWULG-UHFFFAOYSA-N 443.931 5.477 30 10 IKEE CCCCCCCOc1cn(Cc2cccnc2)c(CNc2ccc(C)c(F)c2)cc1=O 1870830152 FONFUNUPYPKJOJ-UHFFFAOYSA-N 437.559 5.700 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1cccc(Cl)c1)O3)CN(C1CCCCCCC1)CO2 1871349695 YIEUTHXQXTUHKA-UCQKPKSFSA-N 437.967 6.529 30 10 IKEE Cc1cc(O)c(CN2C[C@@H](C)C[C@H](C)C2)c2c1C(=O)/C(=C/c1c(Cl)cccc1Cl)O2 1871396838 YEJBOWMVRDWRGL-OZYOTALKSA-N 446.374 6.102 30 10 IKEE Cc1cc(OCCCc2ccccc2)cc2c1C(=O)/C(=C/c1ccc(-c3ccccc3)cc1)O2 1871399096 CZYJDYTXSAQIQZ-BRPDVVIDSA-N 446.546 7.290 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(ccc(OCCCc4ccccc4)c3C)C2=O)cc1 1871399991 ZSNKMNIMLQLMOM-OOAXWGSJSA-N 441.571 6.469 30 10 IKEE Cc1ccc(OCCCOc2ccc3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1 1871405913 MBZWJSQNAATMTA-IWIPYMOSSA-N 431.444 5.367 30 10 IKEE COc1ccccc1/C=C1\Oc2c(ccc(OCCC(=O)Nc3ccc(C)cc3)c2C)C1=O 1871430435 AAFHGSXQMWJSJK-JLPGSUDCSA-N 443.499 5.336 30 10 IKEE CCOCCOC(=O)[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871434055 QHPWBQYPMZPQPY-OYADDEIPSA-N 438.520 5.082 30 10 IKEE C[C@H](Oc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1)C(=O)Nc1ccc(C#N)cc1 1871436348 WAPFMAYNNRNAJZ-HNNXBMFYSA-N 444.874 5.391 30 10 IKEE C[C@H](Oc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O)C(=O)Nc1nc2ccccc2s1 1871439594 FESHUWZKXBCXQL-MNAFEPAFSA-N 442.496 5.319 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4c(C)cccc4C)cc(C)c3C2=O)c1 1871440234 DYJPFAVUTQMFIY-QRVIBDJDSA-N 443.499 5.254 30 10 IKEE CC(C)(C)c1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(O)cc4)ccc3C2=O)cc1 1871442547 HJCAYDUBFDUPJP-OYKKKHCWSA-N 443.499 5.323 30 10 IKEE COc1ccc2c(c1)c(/C=C1\Oc3c(ccc(OCc4cccc(C)c4)c3C)C1=O)cn2C 1871455102 KSRVJHPVWZYQDB-ZMFRSBBQSA-N 439.511 5.999 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)c1 1871460576 ULUZVNIJUDJCKW-WGARJPEWSA-N 441.527 6.061 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(C)c(C)c2)[nH]c(N(CC)CC)n1 1871528761 SMISQKQVJPHSQR-UHFFFAOYSA-N 426.653 6.053 30 10 IKEE C=CCN([C@H](CCC)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1871834663 CIGBGMGQWKECCM-XMMPIXPASA-N 442.625 5.411 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1cccs1 1872219139 CHEWENDCQDKINW-HXUWFJFHSA-N 448.654 5.420 30 10 IKEE COc1cccc(-c2csc([C@H](C#N)C(=O)COc3cc(C)c(Cl)c(C)c3)n2)c1 1872762914 ZTURPMLIQBRCOS-GOSISDBHSA-N 426.925 5.344 30 10 IKEE N#C[C@H](C(=O)CCCOc1ccc(Cl)cc1)c1nc(-c2ccc3c(c2)OCO3)cs1 1872773858 ZNYKSACQLIRTRW-QGZVFWFLSA-N 440.908 5.228 30 10 IKEE CC(C)c1csc([C@H](C#N)C(=O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)n1 1872774374 OYAWBSPGDATGEA-MRXNPFEDSA-N 449.919 5.211 30 10 IKEE N#C[C@@H](C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc3ccccc23)cs1 1872774901 FOBZFDGYJWQHGA-BGVYSJOJSA-N 425.469 5.761 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)Cc2ccccc2Cl)n1 1872777160 HOUUXAZNVWKIGG-SFHVURJKSA-N 438.980 6.189 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccccc3OC)n2)c(OCC)c1 1872784057 OYLJNTKVIOCMMR-LJQANCHMSA-N 436.533 5.035 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccc(Cl)cc3)n2)c(OC)c1 1872784213 QAWDYFANHWJFFR-UGSOOPFHSA-N 442.924 5.124 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@H](C)c2ccccc2)=C(c2cccnc2)C1=O 1873079924 GIOMWOXOIHIBHV-OAQYLSRUSA-N 433.596 5.653 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2)C(=O)N(Cc2ccccc2F)C1=O 1873159134 GDPYYFXDODLMFS-UHFFFAOYSA-N 436.571 5.836 30 10 IKEE C=CCN1C(=O)C(Nc2cc(Cl)c(Cl)cc2Cl)=C(c2cccc(OC)c2)C1=O 1873215031 KXRCCNZUDOODQD-UHFFFAOYSA-N 437.710 5.033 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(OCC(C)C)cc2)=C(c2c(Cl)cccc2Cl)C1=O 1873289364 JTUUHXHNEYALLK-UHFFFAOYSA-N 445.346 5.406 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc2c(NCC(C)C)ncnc21 1873602558 HKDYEKIGILUKAX-UHFFFAOYSA-N 446.599 5.174 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(Cl)c(C)c1)n2Cc1ccccc1 1873612997 RDUPXXZMVACIDJ-UHFFFAOYSA-N 431.927 5.292 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1cccc(Cl)c1)n2CCC 1873619463 BVHMETNIRDYCEE-UHFFFAOYSA-N 442.007 6.519 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(C)c(C)c1)n2C 1873629013 GIJOVPKEHZMSHR-UHFFFAOYSA-N 435.616 6.390 30 10 IKEE CSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1ccc(Cl)cc1Cl 1874224902 IYGSYIHYJSWULB-ZMOGYAJESA-N 449.407 5.817 30 10 IKEE C=CCSc1nnc(Cc2ccc(OCC)cc2)n1/N=C/c1cccc2ccccc12 1874303135 JTEKKHLVSCBLAM-NLRVBDNBSA-N 428.561 5.581 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CCCOc2ccccc2)nnc1SCCC 1874318750 HLXOOHXGPVAJBW-NCELDCMTSA-N 436.581 5.239 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3cccs3)n2/N=C/c2ccccc2C)c1 1874412861 ZTHWXUWAJQDMDZ-MFKUBSTISA-N 432.618 6.030 30 10 IKEE CCSc1nnc(C2CCC2)n1/N=C/c1cccc(OC)c1OCc1cccc(C)c1 1874492830 HNDGGCUVZCHUQM-MFKUBSTISA-N 436.581 5.436 30 10 IKEE CCCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1/N=C/c1ccc(C(C)C)cc1 1874504395 PMKVXOVHJQNYTQ-CVKSISIWSA-N 449.624 5.584 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc(Cl)cc1Cl 1874510669 UTMYBUUUBDYAOM-FOKLQQMPSA-N 439.799 6.365 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2ccc(C(C)C)cc2)cc1 1874512303 QPNMTHRCGAAAEZ-AFUMVMLFSA-N 435.597 5.446 30 10 IKEE CCN(CC)C(=O)COc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1OC 1874593699 XKLQSLQUTFYNJG-UXBLZVDNSA-N 436.335 5.145 30 10 IKEE Cc1cccc(NC(=O)COc2cccc(/C=C/C(=O)c3cc(C(C)(C)C)ccc3C)c2)c1 1874599726 APADUXKEJFYZBZ-FYWRMAATSA-N 441.571 6.515 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1Cl 1874623400 AWGGOKLBRLXRRJ-WYMLVPIESA-N 449.978 6.417 30 10 IKEE COc1c(Br)cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1Br 1874626033 IUTBKRSLPNQIJT-GORDUTHDSA-N 432.058 5.395 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCC(=O)OCC(C)C)c(Cl)c2)cc1C 1874636855 VRLGVUOEZVOKSH-SOFGYWHQSA-N 430.928 5.440 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OCc2cccc3ccccc23)cc1 1874638940 ZPPZQUMCBSMGCO-RVDMUPIBSA-N 428.915 6.977 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccccc2Cl)c1)c1ccc(Cl)cc1Cl 1874695689 NZXGWJBGFFZANN-DHZHZOJOSA-N 431.702 6.762 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1OC(=O)c1ccccn1 1874715447 ABVJSNUIWDTKBA-JLHYYAGUSA-N 429.516 5.811 30 10 IKEE CCc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c(OC)c3OC)c2)cc1 1874717413 RFFKLEGCWHKJCJ-RVDMUPIBSA-N 446.499 5.390 30 10 IKEE C=CCN(CC=C)CCC(=O)c1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1 1874750560 QHEOCEXASOUJPF-UHFFFAOYSA-N 431.363 5.421 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)c(F)c2F)cc1)c1ccc2c(c1)CCCC2 1875096722 BSELCYXUMOGLRY-VGOFMYFVSA-N 436.429 6.098 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(Cl)c1OC(=O)C(F)(F)F 1875096769 DMILFKPQMSXNQM-RMKNXTFCSA-N 438.829 5.591 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1 1875103694 LGDZOVGLNJZZOF-VGOFMYFVSA-N 425.311 6.671 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(C)c3)cc2OC)cc1 1875108719 CFNAKHXKOZXBJL-KPKJPENVSA-N 446.499 5.065 30 10 IKEE Cc1ccccc1CCC(=O)Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1Cl 1875113304 DPWVCWLNXCRRMJ-JLHYYAGUSA-N 439.338 6.736 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3F)cc2[N+](=O)[O-])cc1 1875125091 QCXNDWQLZZGAAE-VZUCSPMQSA-N 437.398 5.551 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)C3CCCC3)c(OC)c2)cc1 1875129025 HDMIMXWQMGLLKU-MDWZMJQESA-N 428.912 5.739 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2OC)cc1 1875134338 PISVKBSLYJXCBJ-VGOFMYFVSA-N 430.500 5.826 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1sccc1C 1875156607 CZQYGYVVLCHRTA-WUXMJOGZSA-N 434.557 6.694 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2ccccc2)c(Cl)c1 1875170971 ZGQKMWTZZUHYGR-PKNBQFBNSA-N 434.919 6.010 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)cc3)cc2)c1 1875171851 PWPFHWDDMIUMKF-FOWTUZBSSA-N 444.527 5.837 30 10 IKEE CCCN(C(=O)OC(C)(C)C)[C@H](C#N)c1sc(Cl)cc1I 1889589474 QSKQMHPFMQILSQ-SNVBAGLBSA-N 440.734 5.218 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)CCc3ccc(Cl)cc3Cl)cc21 1890677903 TYRMOCMAMLGZMZ-UHFFFAOYSA-N 447.362 5.502 30 10 IKEE CC(C)C[C@@H](CC(F)(F)F)NS(=O)(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F 1890872651 ZCKHNIYBTFLOIB-JTQLQIEISA-N 445.347 5.370 30 10 IKEE CC1(C)CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)[C@@H](CN)C1 1927159116 HQLVEWNXBHHLPY-QVKFZJNVSA-N 436.394 5.238 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@H](NC(=O)OC(C)(C)C)C(C)C)cc1 1941060685 DLMBRORZIXLDBA-NTKDMRAZSA-N 431.577 5.568 30 10 IKEE CC[C@H](NC(=O)OC(C)(C)C)[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccc(OC)cc1 1941062897 ZQZRYJLVEHJQGT-MBSDFSHPSA-N 433.549 5.022 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 1943909054 BLJJQZSWXWYZHM-MBSDFSHPSA-N 433.524 5.297 30 10 IKEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 1944890141 GNVOUHYXHFKNCX-HOYKHHGWSA-N 429.561 5.357 30 10 IKEE CC1(C)OB(c2cc(Cl)cnc2N(Cc2ccccc2)CC2CCCC2)OC1(C)C 2004975513 ZTAYKYCOGZURHC-UHFFFAOYSA-N 426.797 5.231 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C12CC2 2016360228 XAPOGXBXPLSEQY-DEOSSOPVSA-N 427.545 5.254 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@H](C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2021498520 WAJGHWUJOHEOIC-RBUKOAKNSA-N 435.609 5.484 30 10 IKEE C=CCN(C[C@H](Cc1ccc(Cl)cc1Br)NCC)C(=O)OC(C)(C)C 2028184122 NKFPPPGXZGLPPJ-INIZCTEOSA-N 431.802 5.046 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)c(C)c(Br)c1)NCC 2063090158 KPXBIJCLRGHVIS-IRXDYDNUSA-N 431.802 5.011 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@@H](C#N)[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2073117294 BRUDWBRRXABFKZ-LPHOPBHVSA-N 447.551 5.495 30 10 IKEE Cc1cc(C)c([C@@H](n2nc(C(C)C)c(C#N)c2I)C(C)(C)C)c(C)c1 2079998430 QUDUBCVBZWEGSP-LJQANCHMSA-N 449.380 6.044 30 10 IKEE CC(C)c1ccc([C@@H](C2CCC2)n2nc(C(F)F)c(C=NO)c2Br)cc1 2080004241 XRAKBPFNBLPRLN-QGZVFWFLSA-N 426.305 5.904 30 10 IKEE CCCOc1ccc([C@H](C2CCC2)n2nc(C(C)C)c(C=NO)c2Br)cc1 2080055872 LROQLRWKUJBSGA-FQEVSTJZSA-N 434.378 5.755 30 10 IKEE CN(Cc1ccc(Cl)cc1Br)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2154468101 YUVYZMHFETVVKT-UHFFFAOYSA-N 436.586 5.038 30 10 IKEE C=C(Cl)C[C@H](NCC)c1cc(Br)cc(Br)c1OCCC 2164158743 AWJGVUQNOYNDTR-AWEZNQCLSA-N 425.592 5.794 30 10 IKEE CC1(C)OB([C@@]23C[C@H]2CCN(Cc2ccc(Cl)c(Br)c2F)C3)OC1(C)C 2194187548 YWCQCPWAXVNWNP-BFUOFWGJSA-N 444.581 5.300 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[C@H]2Nc2ccc(Br)c(C#N)c2)C1 2233774298 FMSYSZAEDGPOHK-LSBZLQRGSA-N 434.378 5.158 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)C=Cc1ccccc1 2237414833 HAKXUPZQJDXFEG-IBGZPJMESA-N 430.342 5.167 30 10 IKEE CCCN[C@@H](CC#CC1CCCC1)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2251480575 FXXDFHUQPZIAAI-ZEQRLZLVSA-N 428.617 5.048 30 10 IKEE Cc1sc(C(=O)N(Cc2ccccc2)C2CCCCC2)cc1B1OC(C)(C)C(C)(C)O1 2255866602 SQLADBUATSOPLI-UHFFFAOYSA-N 439.430 5.331 30 10 IKEE CN[C@@H](CC#CC1CCCC1)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2261106896 KYXKSGQUVIWZDG-RPLLCQBOSA-N 440.628 5.002 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Br)cc(C(C)(C)C)c1 2273002262 ALGOXSQYHRBARQ-QZTJIDSGSA-N 425.411 5.477 30 10 IKEE O=C1C(=O)N(c2ccc(F)cc2)[C@@H](c2ccc(F)cc2)C1=C(O)c1ccc(Cl)cc1 2296175650 BAABDVIXYBAOLD-FQEVSTJZSA-N 425.818 5.245 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C=C[C@@H](N)C#Cc2cccc(Br)c2)cc1 2296278937 JQQPCSIKFQHBHN-LJQANCHMSA-N 427.342 5.188 30 10 IKEE C=CCOc1ccc(C=C2SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1 2296826844 ZOXAJRNZBHQPAZ-UHFFFAOYSA-N 440.568 6.677 30 10 IKEE COc1cc(C=NNc2ccc(C)c(Cl)c2)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 2318413849 YBJMLKPRAZPAKS-UHFFFAOYSA-N 439.899 5.899 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3ccccc3)nnc2C2CC2)cc1OCC 2320851453 FBBZBXYOEOQYRN-UHFFFAOYSA-N 436.581 5.518 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CC2)cc1 2320892171 CSDZWSNZTAFDGV-UHFFFAOYSA-N 445.419 6.760 30 10 IKEE Cc1c(OCc2ccc(Cl)cc2Cl)ccc2c1OC(=Cc1ccc(Cl)cc1)C2=O 2321784496 VDJYBVDJCRCUTM-UHFFFAOYSA-N 445.729 7.150 30 10 IKEE Cc1ccc(CN2COc3ccc4c(c3C2)OC(=Cc2ccc(C(C)(C)C)cc2)C4=O)cc1 2321958648 WVPXWZUQPBMTHT-UHFFFAOYSA-N 439.555 6.261 30 10 IKEE C[C@@H](c1ccc2c(c1)CCCC2)N1COc2ccc3c(c2C1)OC(=Cc1cccs1)C3=O 2322256132 MBQIGJJRWPUBSG-KRWDZBQOSA-N 443.568 6.156 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2ccc(C)cc2C)cc1 2322371052 KFUZJIVTQPUIRX-UHFFFAOYSA-N 443.543 5.788 30 10 IKEE Cc1ccc(C(=O)C=Cc2c(OCc3ccc(Cl)c(Cl)c3)ccc3ccccc23)cc1 2322586399 XSQJPXIBPCNCRU-UHFFFAOYSA-N 447.361 7.930 30 10 IKEE O=C1C(=Cc2ccncc2)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc21 2323203454 LXRGAHJSNUUUIV-UHFFFAOYSA-N 433.463 5.435 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc1OCCc1ccccc1 2323228857 MOGVINMNWDWGHX-UHFFFAOYSA-N 444.571 6.519 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OC(=O)c4cccc(F)c4)cc(C)c3C2=O)cc1 2323301523 DNQAGNJFRFHMIG-UHFFFAOYSA-N 445.490 5.816 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OC(=O)c3ccc(OCC(C)C)cc3)cc(C)c2C1=O 2323641609 HPMFOGRPTNYSQJ-UHFFFAOYSA-N 448.540 6.235 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Br)c2)ccc1OCc1ccccc1F 2323672165 UNYLDWIRANXGME-UHFFFAOYSA-N 441.296 6.072 30 10 IKEE Cc1cc(OC(=O)c2cccc(OC(=O)C(C)C)c2)cc2c1C(=O)C(=Cc1cccs1)O2 2323908102 YABDXHJKOTUZEG-UHFFFAOYSA-N 448.496 5.453 30 10 IKEE O=C1C(=Cc2ccc(Cl)c(Cl)c2)Oc2cc(OCCCc3ccccc3)ccc21 2324268961 IQRCSWJGEZLFLU-UHFFFAOYSA-N 425.311 6.621 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc(Cl)c1OCCO 2324283615 YMZRUXJKTFMEDA-UHFFFAOYSA-N 438.907 5.798 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OCCc1ccccc1 2324380721 KNXYPLGAWDMEIZ-UHFFFAOYSA-N 430.544 6.228 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1 2324451613 FWEKMSFDJUKUMU-INIZCTEOSA-N 447.462 5.165 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1C 2324627224 MOFVWCCPKHMVKW-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2Cl)cc1OC(=O)c1cccc2ccccc12 2325716930 HFZMCQLMJLWMGE-UHFFFAOYSA-N 442.898 6.617 30 10 IKEE CCCCC(=O)Oc1cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)ccc1OC 2325754541 WRCWVTDLICOICH-UHFFFAOYSA-N 430.500 6.479 30 10 IKEE CCOc1c(Cl)cc(C=Nn2c(C)nnc2SCc2cccc(C)c2)cc1Cl 2326377352 QABABJSPSISEET-UHFFFAOYSA-N 435.380 5.775 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1cn(CC)c2ccccc12 2326417592 BQBIVVUJQUGCBJ-UHFFFAOYSA-N 445.636 6.387 30 10 IKEE CCCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1c[nH]c2ccccc12 2326608100 FNNRPXJQIUSPEW-UHFFFAOYSA-N 439.588 6.082 30 10 IKEE Cc1ccc(CSc2nnc(CCOc3ccccc3)n2N=Cc2sccc2C)cc1 2329153694 UGUIDVHEEIJWDB-UHFFFAOYSA-N 448.617 5.752 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2ccccc2)cc1 2329246935 GJMJIDSVJWGVDD-UHFFFAOYSA-N 428.561 5.360 30 10 IKEE Cc1ccc(C=Nn2c(Cc3ccccc3F)nnc2SCc2cc(C)ccc2C)cc1 2329745851 LVJCIYPPIRFUJQ-UHFFFAOYSA-N 444.579 6.108 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccc(F)cc2)n1N=Cc1ccc(F)cc1 2329803724 WENBXYVEIBSAIF-UHFFFAOYSA-N 434.515 5.630 30 10 IKEE CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1ccc(OCc2ccccc2)cc1 2330047548 GZAPQNPTTVSSHD-IBGZPJMESA-N 428.561 5.613 30 10 IKEE Cc1ccccc1CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1ccc(F)cc1 2330057411 SFPWNCDCZJOICU-IBGZPJMESA-N 430.552 6.052 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)C=Cc1ccc(Cl)cc1 2330359681 HCVOTLJTQMINGN-HSZRJFAPSA-N 435.052 6.285 30 10 IKEE COc1cccc(C=Nn2c(SCc3cccc(F)c3)nnc2-c2cccs2)c1O 2330556548 DSZGPYASCGINQY-UHFFFAOYSA-N 440.525 5.034 30 10 IKEE O=[N+]([O-])c1cc(C=Nn2c(SCc3ccccc3)nnc2-c2ccccc2)ccc1Cl 2330670954 GHCNKXUNJAPRCI-UHFFFAOYSA-N 449.923 5.681 30 10 IKEE C=C(C)CSc1nnc(CC(C)(C)C)n1N=Cc1ccc(OCCCCC)c(OC)c1 2330842112 CGIIDNLSWIEYLE-UHFFFAOYSA-N 444.645 5.995 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2)ccc1OC(=O)CCc1ccccc1 2330874486 FCAYHGKYWKILBN-UHFFFAOYSA-N 444.527 5.837 30 10 IKEE CCN(CC)C(=O)CSc1nnc(C2CCCC2)n1N=Cc1ccc(C(C)(C)C)cc1 2331018480 ZKWCFGVKAXLZRL-UHFFFAOYSA-N 441.645 5.076 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OC(=O)c1ccc(N(C)C)cc1 2331108674 QFNUJEOMWBCNBB-UHFFFAOYSA-N 437.442 5.155 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3cccc(Cl)c3)cc2)cc1 2331116140 PIGPRPLALFHLLN-UHFFFAOYSA-N 434.919 6.173 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(OC)cc3)c(OC)c2)cc1 2331211275 AMHRCPBMCSJHHK-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(N(C)C)cc3)c([N+](=O)[O-])c2)c(C)c1 2331225130 FFZJIWKFBKEUEC-UHFFFAOYSA-N 444.487 5.393 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1C 2331239750 VOQXNONQVDYMFE-UHFFFAOYSA-N 425.311 6.726 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)cc1 2331295668 PAYOAKVGDTZPLD-UHFFFAOYSA-N 445.471 5.807 30 10 IKEE COCCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc(C)cc1 2331308404 YKTDHVCXCSEIJZ-UHFFFAOYSA-N 435.380 5.257 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)Cc1ccccc1Cl 2331326099 BGEODKYTKQWPPY-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)Cc1ccccc1F 2331344484 QNVHVOXTJIIFQX-UHFFFAOYSA-N 436.454 5.716 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)cc(Cl)c1OC(=O)CC(C)(C)C 2331364026 GKLZXELCLRILMD-UHFFFAOYSA-N 444.955 6.293 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(F)c2)ccc1OC(=O)c1ccccc1C 2331463917 CSUJWJVYSSRJCM-UHFFFAOYSA-N 434.463 5.657 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)CSc1ccccc1 2331535401 XHJVLYYHUBMJFU-UHFFFAOYSA-N 436.504 5.818 30 10 IKEE COCC(=O)Oc1c(Cl)cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc1OC 2331545323 ZTVNABXRQYVCGU-UHFFFAOYSA-N 446.927 5.103 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1ccc(F)c(F)c1 2331566083 DJMSJFVLPGPRAW-UHFFFAOYSA-N 444.380 5.757 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc([N+](=O)[O-])c1OC(=O)CC(C)C 2331770741 PKTPEQMAEJAUNH-UHFFFAOYSA-N 439.508 5.766 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)c1cccs1 2331863813 NELDEBJOSDPSNY-UHFFFAOYSA-N 447.339 6.569 30 10 IKEE CC[C@@H](CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2333108748 ICFXJOAKQGDRCT-DAVYRBKRSA-N 428.701 7.204 30 10 IKEE CC1(C)CCC[C@](C=O)(Cc2ccc(I)c(Br)c2)C1 2349920856 NBFYDLRXDAKNMR-INIZCTEOSA-N 435.143 5.382 30 10 IKEE C[C@H](Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)c1cc(Br)cs1 2365054188 INFIVYMJGFQMEZ-ZDUSSCGKSA-N 435.196 5.723 30 10 IKEE C=CCCCCCCC[C@H](N)[C@H](O)c1sc(Cl)cc1I 2366650336 MLSLETFKZFQVHQ-JSGCOSHPSA-N 427.779 5.284 30 10 IKEE O/C(Cc1cc2ccccc2[nH]1)=N\[C@H](/C(O)=N/c1ccc2c(c1)OCCO2)c1ccccc1 3614632 PBKXATUQAJWITG-VWLOTQADSA-N 441.487 5.468 30 10 IKEE C=CCc1ccccc1OCCN1C(=O)[C@@H](C)CN(C(=O)c2ccccc2)c2ccccc21 8809869 OMZSTXVSURPDBN-NRFANRHFSA-N 440.543 5.124 30 10 IKEE Cc1cc(C)c(NS(=O)(=O)c2ccc(/N=C/c3cccc(Cl)c3Cl)cc2)c(C)c1 12583385 SKDCYVXBXFSPLM-DHRITJCHSA-N 447.387 6.470 30 10 IKEE Cc1cc(C)nc(N/C(=N/C(=S)Nc2ccc(Cl)cc2Cl)NC2CCCC2)n1 14156376 NTVOILAFMALKBS-UHFFFAOYSA-N 437.400 5.097 30 10 IKEE CSc1nc2n(n1)[C@H](c1cccc(Oc3ccccc3)c1)C1=C(CC(C)(C)CC1=O)N2 17098063 ULDCMENYAAPLNL-OAQYLSRUSA-N 432.549 5.450 30 10 IKEE CSc1cccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)c1 21722935 RAKVWSBFRPGOKR-XMMPIXPASA-N 445.544 6.214 30 10 IKEE Cc1cccc(NC(=O)CCCSc2nc(C(C)(C)C)cc(C(F)(F)F)c2C#N)c1 27750870 MOSWCMKVPQVZKR-UHFFFAOYSA-N 435.515 6.089 30 10 IKEE C=CCOc1cccc2c1cc(C(=O)NC(C)(C)C)n2Cc1ccc(C(F)(F)F)cc1 35912880 XYJMQOFYLDMSMC-UHFFFAOYSA-N 430.470 5.802 30 10 IKEE CC(/C=C1\S/C(=N/c2ccncc2Cl)N(c2ccccc2)C1=O)=C\c1ccccc1 39864547 WADYOKAFGZDSQU-INZZMDASSA-N 431.948 6.490 30 10 IKEE C=CCc1ccc(OCCCn2c([C@H](C)N3CCCCCC3)nc3ccccc32)c(OC)c1 39917421 LOHVYDGXNWKTTO-QFIPXVFZSA-N 447.623 6.180 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(F)cc1 40094136 YYJDBTMFMACZSS-HSZRJFAPSA-N 439.527 5.547 30 10 IKEE Cc1cccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3ccc5c(c3)OCO5)C4)C2=O)c1 41587857 FTYDIEVZODGARV-OPVMPGTRSA-N 441.483 5.000 30 10 IKEE CCCCCCCCCCCCCCCCCCNC(=S)N[C@H]1CCS(=O)(=O)C1 59568212 YFEYADSGOQSFNV-QFIPXVFZSA-N 446.767 5.899 30 10 IKEE COc1cc(/C=N/c2c(C)nn(Cc3ccccc3)c2C)ccc1OCc1ccccc1 59858962 IFQPCEYBGGUHGH-OGLMXYFKSA-N 425.532 5.886 30 10 IKEE C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)[C@H](C)CO)C[C@@H](O)C[C@@H]1O 77292013 FEVQPNVYQOMSLW-TXDFXURZSA-N 428.657 5.584 30 10 IKEE in-vitro CC/C(C)=N/Nc1nc2cc(C)c(NC(=O)c3cncc(Br)c3)c(C)c2s1 78400599 WLYYVINRXKHJOE-BHGWPJFGSA-N 446.374 5.521 30 10 IKEE CCCCCCCCCCCCCCC[C@H](O)CC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C 96094922 PWZJXSPDNGIODC-XZOQPEGZSA-O 444.677 5.311 30 10 IKEE in-vitro C/C(=N\OCc1ccccc1C)c1cc(-c2ccc(F)cc2)n(-c2ccccc2F)c1C 97632254 KMTRVHAUZQJQBN-NDZAJKAJSA-N 430.498 6.980 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)CNc1cc(OC)ccc1OC 100062485 KYOGRGUYLXYPQV-UHFFFAOYSA-N 434.665 6.713 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)S/C1=N/c1cccc(C)n1 101125516 VRCUWYHCHSDIFK-GTNDZFBQSA-N 443.572 5.901 30 10 IKEE CCCCCCCCCn1c(CCCNC(=O)c2ccc(C)cc2C)nc2ccccc21 102149527 POJJFAAREJAQIR-UHFFFAOYSA-N 433.640 6.766 30 10 IKEE COc1cccc(/C=C2/Oc3cc(OCc4ccc(Br)cc4)ccc3C2=O)c1 103016911 IHRNXPJWAIMQEC-WSDLNYQXSA-N 437.289 5.653 30 10 IKEE CCCCCCCCOc1ccc(/C=C2/N=C(c3ccc(OC)c(OC)c3)OC2=O)cc1 103345294 DCYBJPHMUGGQAJ-OQKWZONESA-N 437.536 5.788 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\n2c(S)nnc2-c2ccco2)c(Cl)c1 169913307 NOEFLRPAWYVKOW-JLPGSUDCSA-N 447.004 6.492 30 10 IKEE CCCN1C(=S)N[C@@H](c2ccc(OC(C)C)c(Cl)c2)C(C(=O)c2ccccc2)=C1C 169928945 VVNZDKJBAZCOFY-QFIPXVFZSA-N 443.012 5.925 30 10 IKEE CCCOc1ccc(/C=N\Nc2nc(-c3ccccc3)c(C(=O)OC)s2)cc1OCC 169941467 FGRLWWSJLYQDHH-IWIPYMOSSA-N 439.537 5.230 30 10 IKEE CCCCCOc1ccc(/C=N\Nc2nc(-c3cccc(OC)c3)cs2)cc1OC 169943425 ZVVMWKVNLIWZSC-IWIPYMOSSA-N 425.554 5.842 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(O)cc2)cc1C 169960126 SKHTZNLYBBZCPV-XMMPIXPASA-N 439.467 5.538 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1cccc(C)c1 169969970 HSNXOBSBNQJKAV-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2cccc(C)c2)cc1 170028358 DJQQRDXGGJXTPY-XMMPIXPASA-N 445.490 5.624 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccccc2)cc1 170032855 AXIPJYBUUFGXKF-OAQYLSRUSA-N 448.544 5.332 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccccc2C)c1 170037340 GQFYMGGZQSQNAU-RUZDIDTESA-N 441.527 5.793 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccc(F)cc2)c1 170061378 XWXGXMJPLQSFRM-HSZRJFAPSA-N 433.454 5.673 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccccc2C)cc1 170088606 CBZRIQNCLGBCRS-DEOSSOPVSA-N 427.500 5.349 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccco2)cc1 170091005 XJVKGCVKVNSZEY-XMMPIXPASA-N 429.516 5.679 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@H]1c1ccco1)c1c[nH]c2ccccc12 170092404 UWXJEQMIMHYGRM-FQEVSTJZSA-N 436.826 5.336 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2ccccc2)c1 170118128 RYCKUOKARFBMCT-RUZDIDTESA-N 435.479 5.631 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(O)c(OCC)c1 170148980 RVUVBOJWIKQEHW-DEOSSOPVSA-N 445.515 5.323 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1cccs1 170165754 RYUHRBYRHUBECM-QFIPXVFZSA-N 441.593 5.860 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@@H]1c1ccccn1 170172714 VUIIMCAMOSEWLZ-HSZRJFAPSA-N 442.515 5.107 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(OCCC)cc1 170215332 WBOOGZVHWYKOJM-RUZDIDTESA-N 447.575 5.733 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2ccc(OCCC)cc2)cc1 170215720 AAADXMJYTKRMGP-HSZRJFAPSA-N 437.536 5.253 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C2CCCC2)c1 170218807 KHNAEZOIQDTEJX-RUZDIDTESA-N 441.527 5.759 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(F)cc2)c1 170239031 PSZZMPQOMUEJGP-UPCLLVRISA-N 443.474 5.240 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2C)cc1C 170270041 TVPVVKOUZMCEII-HSZRJFAPSA-N 447.556 5.460 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@@H]1c1ccccc1C 170277443 KZMBGEVDUCWLQO-NRFANRHFSA-N 427.928 5.426 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@@H]2c2ccco2)cc1 170287346 XTYKQHOHMNEWPT-HSZRJFAPSA-N 425.440 5.224 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@@H]1c1c(C)[nH]c2ccccc12 170312021 SVICNYGSAMBTSQ-DEOSSOPVSA-N 444.531 5.180 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 170345890 MTPMZPRRNMMLKD-JOCHJYFZSA-N 447.556 5.837 30 10 IKEE N#Cc1c(NC(=O)c2cc(Cl)ccc2Cl)oc(-c2ccccc2)c1-c1ccccc1 170493999 AMNMOPIRSGSGLO-UHFFFAOYSA-N 433.294 7.044 30 10 IKEE CCCCCCCCCCCCCCCCSc1ccc(S(=O)(=O)O)cc1N 198749589 MYIQXVHCSKQURG-UHFFFAOYSA-N 429.692 7.089 30 10 IKEE CCOC(=O)C1=C(Nc2cccc(C(F)(F)F)c2)S/C(=C\c2cccc(C)c2O)C1=O 214530973 VLLHHQJSIHWCCH-YBEGLDIGSA-N 449.450 5.263 30 10 IKEE Cc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(CCc3ccccc3)C2=O)c1 252460284 DBYDZGCAIPUUFW-QHCPKHFHSA-N 443.572 5.198 30 10 IKEE Cc1ccccc1N=C1S/C(=C2\C(=O)N(C)c3ccccc32)C(=O)N1c1ccccc1C 252621218 MVLAYSHQJMDJKV-SHXUIJRESA-N 439.540 5.459 30 10 IKEE N#CC(=NNc1cccc(Cl)c1)C(=O)c1cc(-c2ccccc2)c(C(F)(F)F)s1 254327783 XYOTZTRCAUYUBJ-UHFFFAOYSA-N 433.842 6.262 30 10 IKEE COc1ccc(N=C2SCCN2Cc2cccc(OCc3ccccc3Cl)c2)cc1 254527280 FXEMJXUELOQVAQ-UHFFFAOYSA-N 438.980 6.164 30 10 IKEE CSc1ccc(/C=C2\SC(=Nc3ccccc3)N(CCCn3ccnc3)C2=O)cc1 254766173 IPJLVLOUQNCZQN-QWKKMKHHSA-N 434.590 5.299 30 10 IKEE CCOC(=O)c1ccc(NC(=O)c2ccc(N=Cc3c(O)ccc4ccccc34)cc2)cc1 254841030 MDYXCDXEBPOVKY-UHFFFAOYSA-N 438.483 5.725 30 10 IKEE CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(C(F)(F)F)cc2Br)CC1 400300922 RPLJUDZUEBZTRJ-UHFFFAOYSA-N 433.268 5.260 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccsc1Br)NCCC 406225586 HLGICVFJUCXKFT-HZPDHXFCSA-N 431.440 5.281 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(Cl)cc2)c(OC)c1 526607679 SUTNABRFLHPURJ-QHCPKHFHSA-N 446.890 5.286 30 10 IKEE CCCCCOc1ccc(/C=N\n2cnnc2SCc2ccc(C)cc2)cc1OCC 526803571 ASGNMOLQEUHAJR-QQXSKIMKSA-N 438.597 5.729 30 10 IKEE Cc1ccc(COc2ccccc2/C=N\n2cnnc2SCc2cccc(Cl)c2)cc1 526812211 JBDNPUVBWZTPEZ-VYYCAZPPSA-N 448.979 5.993 30 10 IKEE CCN(CC)c1ccc(/C=N\n2cnnc2SCc2c(Cl)cccc2Cl)cc1 526814382 MRWNNCKENLJPTD-MSXFZWOLSA-N 434.396 5.606 30 10 IKEE CCCCS(=O)(=O)N(Cc1ccc(C#N)cc1)c1ccc(OCc2ccccc2)cc1 586192876 XVISTYFUTCDPFN-UHFFFAOYSA-N 434.561 5.274 30 10 IKEE N#CCCCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1Cl 586227118 RURDKSQSLMOBBG-UHFFFAOYSA-N 426.925 5.631 30 10 IKEE CCCCCCCCC[C@H](NC)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 705501609 JIGNDAYTOYMXFD-XWGVYQGASA-N 434.665 6.214 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 724068815 GVXPUFOFHQFEDB-WAIKUNEKSA-N 433.524 5.154 30 10 IKEE COC(=O)c1cccc(N=Cc2ccc(OC(=O)c3sc4ccccc4c3Cl)cc2)c1 1083938414 JAVZXDLWDNLJST-UHFFFAOYSA-N 449.915 6.311 30 10 IKEE COc1ccc(C=Nc2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1OC 1084063523 PSACISSVRXGKGZ-UHFFFAOYSA-N 445.500 6.153 30 10 IKEE C=CCn1c(O)nnc1S[C@H](C)c1nc2cc(Cl)ccc2n1Cc1ccccc1 1165842350 VGAMJMWHRZPQGP-CQSZACIVSA-N 425.945 5.074 30 10 IKEE CC(C)(C)c1cc(Br)cc(C=Nc2ccc(N=Nc3ccccc3)cc2)c1O 1565517417 KEDVGDMVMDBYGB-UHFFFAOYSA-N 436.353 7.618 30 10 IKEE O=C1/C(=C/C=C\c2ccccc2[N+](=O)[O-])SC(=Nc2ccccn2)N1C1CCCCC1 1772731347 MSOSFKVANABPSF-IWNSTGHKSA-N 434.521 5.483 30 10 IKEE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1C(=NNc1ccc(F)cc1)CCC2 1772751282 ZUDLHAZNBXNCIM-UHFFFAOYSA-N 447.293 6.406 30 10 IKEE CCOc1ccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)nn2Cc2cccc(C)c2)cc1 1859409991 UAAYXONITKSBRN-UHFFFAOYSA-N 436.515 5.430 30 10 IKEE CC(=O)c1c(C)oc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)c1C#N 1859759444 GLELHLJZVQRJHV-UHFFFAOYSA-N 428.275 5.592 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)COc1ccc(CCC)cc1 1861653975 YSZFILLEBNJKBM-XMMPIXPASA-N 432.649 5.560 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(F)cc2)n(Cc2c(F)cccc2Cl)n1 1862372960 QGJNACMTVJEQKN-UHFFFAOYSA-N 427.882 5.344 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2Cl)=C(O)C(=O)N1CCC(C)C 1862383555 UZUCAJMMRCHUKF-HXUWFJFHSA-N 432.347 5.926 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1C 1862407679 UCNWRODAWFIUJB-XMMPIXPASA-N 435.564 5.751 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(Cl)c(Cl)c1 1862417227 WZWVJHSTSMTSQP-SFHVURJKSA-N 440.273 5.650 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2cccc(C)c2)c1 1862442829 LSSZMYUUUXSJAQ-QHCPKHFHSA-N 431.919 5.735 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2C(C)C)cc1 1862463793 XDCDUCLNKSWUQN-OAQYLSRUSA-N 447.453 5.270 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc3ccccc23)cc1 1862480452 HKCVJZWKHPCFOF-RUZDIDTESA-N 425.528 6.059 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C(C)C)cc1OCC 1862483563 FEQRRNSPBXPGCS-HSZRJFAPSA-N 437.536 5.169 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCc2cccs2)cc1 1862489217 RWMBJIBEXOARTD-QHCPKHFHSA-N 447.556 5.195 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccc(O)cc2)cc1 1862530878 ZVIGBXDPNMMRSR-BXKMTCNYSA-N 427.500 5.294 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 1862532791 GFRZVBBPNKGYFK-POCHDABASA-N 448.519 5.314 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cccc(F)c1 1862544747 KLMVTLPKZKVDNU-LAMXGVLKSA-N 447.550 5.862 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(Cl)cc1Cl 1862597941 NQNNEFHMZOWSIQ-LJQANCHMSA-N 434.319 5.468 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1c(F)cccc1Cl 1862620376 QVSUVMHEQNVRHK-LHSJRXKWSA-N 443.946 6.153 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cccc2ccccc12)c1ccc2c(c1)OCO2 1862631112 KEBQFSKRAPATLL-DEOSSOPVSA-N 441.483 5.089 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(O)cc1 1862713722 UXQLANXHUFSQBT-WQWSHVPRSA-N 441.527 5.702 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(N(C)C)cc1 1862727041 VMSAZFDCOZENKZ-XMMPIXPASA-N 426.516 5.018 30 10 IKEE Cc1ccc(C2=C(Nc3cc(Cl)cc(Cl)c3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862897628 XOOYVXALCAMFCJ-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccc(F)cc2)=C(c2ccc(F)cc2)C1=O 1863508360 XPMLVFGVQIJCPC-UHFFFAOYSA-N 426.507 5.195 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccccc2)=C(c2ccc(C)cc2)C1=O 1863620032 KEWCQNIBTUEPLK-UHFFFAOYSA-N 432.608 6.005 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)NC[C@H]1COc2ccccc2O1 1866029921 PIQIEHHDPSCDOQ-DEOSSOPVSA-N 431.661 7.204 30 10 IKEE COc1cccc(C(=O)/C=C/C(=O)NCC[C@H](C)c2cccc(-c3ccc(O)cc3)c2)c1 1866233969 RERDCZHHLNNIPH-KQDNUWKFSA-N 429.516 5.117 30 10 IKEE Cc1ccc2nc3c(cc2c1)CCN3c1cc(Nc2ccccc2C#N)nc(C(C)(C)C)n1 1868350230 GBICVHQWZRPQFP-UHFFFAOYSA-N 434.547 5.940 30 10 IKEE CCc1ccc([C@@H]2CN(c3cc(Nc4ccccc4C#N)nc(C(C)(C)C)n3)CCO2)cc1 1868350948 QCUWSMIRCNZFBC-QHCPKHFHSA-N 441.579 5.530 30 10 IKEE C=CCN(CC=C)c1cc(N2CCO[C@H](c3ccccc3)C2)nc(-c2ccc(C)cc2)n1 1869174929 NKXGSCVXGILVOT-DEOSSOPVSA-N 426.564 5.208 30 10 IKEE Cc1ccc2[nH]c(C(=O)Nc3c(C#N)nnn3-c3ccc(Oc4ccccc4)cc3)c(C)c2c1 1870159306 KMVMVPGZCMVEKN-UHFFFAOYSA-N 448.486 5.282 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCCCOc2ccccc2C)cn1CC(C)C 1870322084 SUEVDGQASQXWHG-UHFFFAOYSA-N 438.612 5.225 30 10 IKEE C=CCn1cc(OCCCCOc2ccccc2C)c(=O)cc1CN(CC)CCCC 1870322350 XAFFTCTUTXSDPN-UHFFFAOYSA-N 426.601 5.203 30 10 IKEE CCCCCCCOc1cn(CCCN(CC)CC)c(CN2CCC[C@H](C)C2)cc1=O 1870411527 CUJSJDIWMPSRPS-QHCPKHFHSA-N 433.681 5.161 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCCCCCC)cn1Cc1ccc(Cl)cc1 1870414743 YMGXQDLPVPUOGL-UHFFFAOYSA-N 443.031 6.073 30 10 IKEE CCCCCCCOc1cn(C[C@H](C)O)c(CNc2ccc(OCCCC)cc2)cc1=O 1870836335 KDJYNMLPJXAISV-NRFANRHFSA-N 444.616 5.369 30 10 IKEE C=CCn1cc(OCc2ccc(C(C)C)cc2)c(=O)cc1CNc1cccc(Cl)c1C 1870897869 SEQFHOVJGNMTHS-UHFFFAOYSA-N 436.983 6.311 30 10 IKEE C#CCOc1cn(Cc2ccc(Cl)cc2)c(CNc2cccc(Cl)c2C)cc1=O 1871011072 WZQAGWTZMAUTRD-UHFFFAOYSA-N 427.331 5.136 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)NC)c(=O)cc1CNc1ccccc1C 1871016926 CVTNXYDJBLOHFO-UHFFFAOYSA-N 441.616 5.034 30 10 IKEE C=CCn1cc(OCCCCOc2cccc(C)c2)c(=O)cc1CNc1ccc(C)cc1C 1871221463 ZDDHPMRHAUUSDK-UHFFFAOYSA-N 446.591 5.810 30 10 IKEE O=C1/C(=C/c2ccccc2Cl)Oc2c1ccc1c2CN(C23CC4CC(CC(C4)C2)C3)CO1 1871353509 SRWVTNFAPFEVCW-VROXFSQNSA-N 447.962 6.077 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(F)cc1)C3=O)CN(CCCCc1ccccc1)CO2 1871359073 HRJHAZHQTNPXAG-MYYYXRDXSA-N 443.518 5.925 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)c4cccc(NC(C)=O)c4)ccc3C2=O)cc1 1871364436 CPRCJZKOHDAWOZ-CFRMEGHHSA-N 427.456 5.043 30 10 IKEE Cc1cc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)ccc1[N+](=O)[O-] 1871373356 BJJBUBDHKCQOIT-NHDPSOOVSA-N 449.846 5.700 30 10 IKEE CC1(C)C[C@H]2C[C@@](C)(CN2Cc2c(O)ccc3c2O/C(=C\c2ccc(Cl)cc2)C3=O)C1 1871394410 WMWFZGFXYBLJKX-UHZMZGNXSA-N 437.967 6.062 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2Cl)cc2c1C(=O)/C(=C/c1ccccc1)O2 1871405057 MVDMPULCUWHXCL-GLFIFPSUSA-N 433.891 5.671 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCCCOc4ccc(Cl)cc4)cc(C)c3C2=O)c1 1871406284 QHGCJEKDCNJFIX-IWIPYMOSSA-N 434.919 6.421 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccccc2F)C3=O)cc1 1871410607 FTZBHYLEASOFOY-HZRSJKMUSA-N 445.490 5.719 30 10 IKEE C=CCN([C@H](CCC)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1ccc(C)cc1 1872219156 CRTPTSBOXBMCGN-HSZRJFAPSA-N 442.625 5.277 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(OCC(C)C)c3)n2)cc1OC 1872761939 ZREKNRURJFWYAE-LJQANCHMSA-N 436.533 5.352 30 10 IKEE N#C[C@H](C(=O)/C=C\c1ccc(Cl)cc1)c1nc(-c2cccc(Br)c2)cs1 1872763889 XXNSMECKARLTMJ-UXHZXRBQSA-N 443.753 6.116 30 10 IKEE COc1ccc(C)cc1-c1csc([C@@H](C#N)C(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)n1 1872770813 FTLPYMHDKGRRTR-UTKZUKDTSA-N 434.561 5.894 30 10 IKEE CCCCCCCCCCN1C[C@H](C(=O)N(Cc2cccnc2)Cc2ccco2)CC1=O 1872968465 IPQPVFAZDFSTOD-HSZRJFAPSA-N 439.600 5.193 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(OC)cc1)n2C 1873628918 AUJFRXYWSSADGL-UHFFFAOYSA-N 437.588 5.782 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(OC)c2)cc2c(NCCC3=CCCCC3)ncnc21 1873639452 TZACCNRQYPXRIR-UHFFFAOYSA-N 431.540 5.181 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C(C)(C)C)cc2)cc2c(N3CCC[C@H](C)C3)ncnc21 1873657436 DDDGIGXPFREDHN-SFHVURJKSA-N 431.584 5.403 30 10 IKEE CCCSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1ccncc1 1874198535 GNLNPZJLTJZPDV-NLRVBDNBSA-N 431.565 5.222 30 10 IKEE CCCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1sccc1C 1874203340 WXGPXXJEMHAIDW-ZVHZXABRSA-N 442.654 6.217 30 10 IKEE CCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(N(CC)CC)cc1 1874269982 YPYZOKINRWHUPJ-ZXVVBBHZSA-N 443.620 5.863 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OCC)cc2)n1/N=C/c1c(F)cccc1Cl 1874303675 MIWMDRDPQHKQKW-DHRITJCHSA-N 444.963 5.611 30 10 IKEE CCCCOc1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SC)cc1OCC 1874377112 GIMDJVLROAEOHJ-PCLIKHOPSA-N 442.560 5.190 30 10 IKEE Clc1ccc(/C=N/n2c(COc3ccccc3)nnc2SCc2ccccc2)cc1 1874384456 PSQIDFOUPYZNET-MFKUBSTISA-N 434.952 5.685 30 10 IKEE CCCSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874389912 LBUGWWRYOVEVAB-PCLIKHOPSA-N 438.597 5.357 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2ccc([N+](=O)[O-])cc2)cc1 1874415310 JFRHXJAYHFPHAE-PCLIKHOPSA-N 443.532 5.260 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CC(C)(C)C)nnc1SCc1cc(C)ccc1C 1874438650 LMWUWVKQYBFDTK-WPWMEQJKSA-N 448.636 6.223 30 10 IKEE CCOc1cc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CC2)ccc1O 1874520248 IRPYXLSGSNKYDA-FSJBWODESA-N 428.945 5.088 30 10 IKEE CCCOc1c(/C=N/n2cnnc2SCc2c(F)cccc2Cl)cccc1OC 1874540891 XQCNPCWVRGKEKE-BHGWPJFGSA-N 434.924 5.043 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(S)nnc2Cc2ccc(C)c(C)c2)cc1OC 1874562186 HWWBZOJAVCNISO-PCLIKHOPSA-N 438.597 5.234 30 10 IKEE O=C(/C=C/c1ccccc1OCc1c(F)cccc1Cl)c1ccc(Cl)cc1Cl 1874573553 UDHPXNHKYHMRRY-DHZHZOJOSA-N 435.709 7.261 30 10 IKEE O=C(/C=C/c1cc(Br)ccc1OCc1ccccc1)c1cccc(Cl)c1 1874576536 RNLVIAQVNIKYSK-PKNBQFBNSA-N 427.725 6.578 30 10 IKEE CCCN(CCC)C(=O)COc1cccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1 1874593467 LFNZJTLNIYWXSW-DHZHZOJOSA-N 434.363 5.917 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)c(Br)c1OC 1874600389 JYPBXTDLLLSAAO-FNORWQNLSA-N 425.706 5.333 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc1OCc1ccc(F)cc1 1874600817 FFNZIVTVUXGSJI-NTEUORMPSA-N 442.486 6.471 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(Cl)c1OCC(=O)OCC(C)C 1874605239 KERRGNPELICHGF-MDZDMXLPSA-N 446.927 5.221 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3cccc(C)c3)c(OC)c2)cc1C 1874607170 UUFULGHJLDAMFW-PKNBQFBNSA-N 432.516 5.804 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCCc3ccccc3)c([N+](=O)[O-])c2)cc1 1874607291 GWBIMQZCFMJLDK-FOWTUZBSSA-N 429.516 6.455 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OCc1c(Cl)cccc1Cl 1874608452 OXYAKJMTFYGPLM-PKNBQFBNSA-N 447.745 7.131 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OCC(=O)NCCC 1874622529 HYRLNEIVZXTFTA-XNTDXEJSSA-N 449.591 5.522 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Cl)c1OCc1cccc(F)c1 1874627758 UZPCFFVOKLXWRK-RMKNXTFCSA-N 446.852 6.631 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1cccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1 1874692356 BRGTZZUUIXLYPX-UKTHLTGXSA-N 435.863 5.683 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCc3ccc(CC)cc3)c2)cc1 1874695993 CQZWQLSTDXRNMX-CAPFRKAQSA-N 440.583 7.026 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OC(=O)c1ccc(Cl)cc1 1874701052 ZHDJILRQUCZKEA-SWGQDTFXSA-N 427.283 6.117 30 10 IKEE COc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)ccc2OC)cc1 1874706133 QUFSWQQNLYCSRM-OMCISZLKSA-N 444.527 6.117 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)C3CCCC3)c2)c1 1874713125 HLXOQMGBQAMPHM-JLHYYAGUSA-N 438.520 5.484 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(Cl)cc2)CSc2nnc(CCC)n21 1874863352 SODZDMSBRNCUHI-LJQANCHMSA-N 435.037 5.946 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3OC)c(Cl)c2)cc1 1875100208 TVFFGSRQHZYRCP-XNTDXEJSSA-N 448.946 6.345 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1OC 1875122366 KVDIPOQSFOEARM-YRNVUSSQSA-N 438.426 5.026 30 10 IKEE CCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccccc2)cc1Br 1875128462 ZWIZJIHFWZEWRB-CMDGGOBGSA-N 438.115 5.423 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)[C@H](C)c1ccccc1 1875129239 QTCIXAHHHBRFKK-KBZZJAQTSA-N 426.512 6.029 30 10 IKEE COc1cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2)c([N+](=O)[O-])cc1OC 1875132241 MKYOGSULCFOPNN-MDWZMJQESA-N 447.443 5.036 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)Cc1ccc(F)cc1F 1875136929 MZBZXHKMJRRJKQ-WUXMJOGZSA-N 436.454 5.716 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)C23CC4CC(CC(C4)C2)C3)cc1 1875143490 CABIOYSVPNZYEM-RMKNXTFCSA-N 430.544 6.022 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(OC)c(OC(=O)c2cccc(C)c2)c(OC)c1 1875143583 HGWFPDYRWJUMHB-ZHACJKMWSA-N 446.499 5.445 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)CC1CCCCC1 1875149261 GWJKXHXAIREPRL-GZTJUZNOSA-N 448.603 7.155 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3sccc3C)cc2)c(OCC)c1 1875178105 UFLOYCJWFHFGHK-MDWZMJQESA-N 436.529 5.969 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3cc(C)cc(C)c3)c(OC)c2)cc1C 1875191608 VQBWXHSQRPTBSJ-VQHVLOKHSA-N 444.527 6.053 30 10 IKEE C=CCn1c(C(=O)N(CCCC)CCCCCC)cc2c(NCCCCC)ncnc21 1875228742 BQISZXBJKQURPP-UHFFFAOYSA-N 427.637 6.042 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)NCCC 1922117861 DCPVXVPRWCYXSD-LOSJGSFVSA-N 444.660 5.991 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)C1(C)C 2035987366 DYSPQJIRHNLFLD-DEOSSOPVSA-N 445.560 5.118 30 10 IKEE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2037942036 KWVYDHIMEQTXAB-WAQNLRHXSA-N 437.559 5.618 30 10 IKEE C=CCN(CC[C@H](Cc1cccc(Cl)c1Br)NC)C(=O)OC(C)(C)C 2037965982 XDSHICZGTKLRNI-OAHLLOKOSA-N 431.802 5.046 30 10 IKEE Cc1cc(Br)sc1[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2039289762 IFHCFEZXHUPUKI-OAHLLOKOSA-N 427.408 6.344 30 10 IKEE CC1(C)CC[C@](C#N)(N(C[C@H]2CCCO2)C(=O)OC(C)(C)C)[C@@H](OCc2ccccc2)C1 2043782065 ZSKOJJZQNZIKMY-TVZXLZGTSA-N 442.600 5.460 30 10 IKEE CC[C@]1(Nc2ccc(Br)cc2C#N)CCCN(C(=O)OCc2ccccc2)C1 2043970307 ILJNRJFYZSRAAS-QFIPXVFZSA-N 442.357 5.314 30 10 IKEE CCC(=O)/C=C/c1cc(Br)c(OCc2c(Cl)cccc2Cl)c(OC)c1 2060406041 AKAGVQBWGBEHRX-BQYQJAHWSA-N 444.152 6.336 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(Br)ccc(Cl)c1F 2063093558 BRZMYBBOHPOWNC-XJKSGUPXSA-N 435.765 5.362 30 10 IKEE CC1(C)CC[C@]1(C#N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071349349 NRNRXLIMGMVILS-XCZPVHLTSA-N 427.544 6.208 30 10 IKEE Cc1nn([C@@H](c2ccc(C(F)(F)F)c(F)c2)C2CCC2)c(Br)c1C=NO 2079951853 ZEUCTHPYNWEFIX-OAHLLOKOSA-N 434.231 5.310 30 10 IKEE C=CCCCCCCCCCC(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2086261091 HVMATQVQODIBFO-DEOSSOPVSA-N 444.660 6.278 30 10 IKEE C=CCCCCCCCC[C@H](NC)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2086261693 NPMCMRKOAJJOAV-VJTSUQJLSA-N 446.676 6.380 30 10 IKEE C=CCCCCCCCC[C@@H](NC)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2086262559 XGVWVHLBXLKHTN-RPBOFIJWSA-N 445.692 5.907 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)cc1Br)NCC 2088520836 YPXNXDCZKTZFSF-ZWKOTPCHSA-N 445.829 5.483 30 10 IKEE CC(C)[C@H](C)[C@H](CNc1ccc(C#N)c(Br)c1F)NC(=O)OC(C)(C)C 2106006855 OXLLBYRCJNIUOH-WFASDCNBSA-N 428.346 5.057 30 10 IKEE C=CCCN(Cc1ccccc1)c1c(CNCC(C)C)ccc(Br)c1Cl 2129193951 LBEXFYJWGOINKI-UHFFFAOYSA-N 435.837 6.431 30 10 IKEE CCCCC#CC[C@H](NCC)c1cc(I)ccc1Br 2138989821 HKABMGSAFWUHBE-INIZCTEOSA-N 434.159 5.288 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(Nc2cccc(Br)c2C#N)cc1 2162386746 GKYKKZLXFRNBKO-HNAYVOBHSA-N 428.330 5.445 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@]2(Nc3cc(Br)cc(F)c3C#N)CCC[C@@H]12 2163689477 GSDONTHVEPNEJM-YLJYHZDGSA-N 438.341 5.194 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](CNc2cc(Br)c(C#N)cc2F)CC1(C)C 2172452999 GPKCZTBMWYSNSL-ZDUSSCGKSA-N 440.357 5.297 30 10 IKEE C[C@@H](Nc1ccc(Br)cc1C#N)c1ccc(CNC(=O)OC(C)(C)C)cc1 2187545184 ZKZFBUCKOCIQMZ-CQSZACIVSA-N 430.346 5.519 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCCC)c2ccc(Br)c(F)c2)C1 2198183667 NPHBOYPPBFFNIO-SFHVURJKSA-N 441.385 5.490 30 10 IKEE C=CCCCCCC[C@H](N)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237422559 XMRQZJRHNKCRED-PMACEKPBSA-N 439.438 5.739 30 10 IKEE C=C(C)CCCC[C@@H](NC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2250129786 ZDVWYXFIJHWNQA-BVAGGSTKSA-N 430.633 5.555 30 10 IKEE C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)cc1 2267115690 OZIQGBYNHMQUED-RYQLBKOJSA-N 444.381 5.083 30 10 IKEE CCCCCCCCCC[C@@](C)(O)c1cc(Br)c(Br)s1 2281276497 MIHUKGQOPQMHKN-MRXNPFEDSA-N 426.258 7.011 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H](CCC)CNC(=O)OC(C)(C)C 2296284861 VJVRVHOAGSTLJX-AZUAARDMSA-N 437.422 5.110 30 10 IKEE COc1cccc(-c2nn(-c3ccccc3F)cc2C=NNC(=S)Nc2ccccc2)c1 2296407510 NLVJMOPWFZJSOL-UHFFFAOYSA-N 445.523 5.008 30 10 IKEE CCn1cc(C=C2Oc3cc(OCc4ccc(F)cc4)ccc3C2=O)c2cc(OC)ccc21 2296593650 AJCHROPVPRFUPO-UHFFFAOYSA-N 443.474 6.004 30 10 IKEE O=C1NC(=Nc2ccccc2C(F)(F)F)SC1=Cc1ccccc1OC1CCCC1 2296827854 WGTKSOJNPQSDIT-UHFFFAOYSA-N 432.467 5.918 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cccc(OCc2ccccc2)c1 2314460812 OMNHGVQTFMNRPZ-DQEYMECFSA-N 436.596 5.613 30 10 IKEE Cc1ccccc1C=C1SC(=NN=CC=Cc2ccccc2)N(Cc2ccco2)C1=O 2314840827 CTUFJOPURQYXAN-UHFFFAOYSA-N 427.529 5.760 30 10 IKEE N#C[C@@H]1CCCCC[C@H]1Sc1cc(I)ccc1Br 2316465350 KVMJJGWDCVXIQR-GXFFZTMASA-N 436.156 5.618 30 10 IKEE CC(C)(C)OC(=O)NC1([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)CCCCC1 2318689830 FCKROVOOEWPZIR-IBGZPJMESA-N 447.551 5.687 30 10 IKEE Cc1cccc(C)c1NC(=O)CSc1nnc(C2CC2)n1N=Cc1ccc(C(C)C)cc1 2320844282 CNROKOONJBJBHL-UHFFFAOYSA-N 447.608 5.509 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(Cl)c(Cl)c1)C3=O)CN(CCCCCO)CO2 2322371506 HUNBAXBQSWWJNC-UHFFFAOYSA-N 448.346 5.233 30 10 IKEE CCc1ccc(NC(=O)COc2ccccc2C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2322467071 WNDMKWBIFTVCOD-UHFFFAOYSA-N 430.460 5.071 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2ccccc2Cl)cc1 2322612865 XMDCDPLKYOALMM-UHFFFAOYSA-N 436.935 6.613 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccccc1OCc1ccc(Cl)cc1 2322922707 CLXOQMZOHVODLR-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE Cc1ccc(NN=Cc2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1 2322930339 HJWMUIAIEKYPLX-UHFFFAOYSA-N 428.539 6.961 30 10 IKEE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)cc1 2323057401 IIOHLXMHTGTBQT-UHFFFAOYSA-N 427.412 5.138 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1OCC(=O)Nc1c(C)cccc1C 2323126467 WEKGECWRKNTNFW-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OCc3c(Cl)cccc3Cl)c2)cc1 2323135415 KVHNSOWOBVZPHC-UHFFFAOYSA-N 427.327 6.867 30 10 IKEE Cc1ccc(NC(=O)COc2cccc(C=CC(=O)c3cccc4ccccc34)c2)c(C)c1 2323202982 GYCGBUIKENDTPZ-UHFFFAOYSA-N 435.523 6.370 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OCc1ccccc1 2323435626 PNZUASKPMJEXSV-UHFFFAOYSA-N 438.567 6.778 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)c4cccc5ccccc45)cc(C)c3C2=O)cc1 2323481805 VSFUYPCRJLBZIQ-UHFFFAOYSA-N 434.491 6.546 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(F)cc2)C3=O)c(OCC)c1 2323780785 RODOUDBXNWFWON-UHFFFAOYSA-N 448.446 5.459 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccco2)C3=O)c(OCC)c1 2323784548 MLLPZDZPBDRIAM-UHFFFAOYSA-N 434.444 5.221 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C 2323802627 RALCIIIDLLOMGZ-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 2323900507 XFJQCHLKLOWOJA-UHFFFAOYSA-N 431.746 7.430 30 10 IKEE Cc1ccc(C=C2Oc3c(CN(Cc4ccccc4)C(C)C)c(O)cc(C)c3C2=O)cc1 2324014866 MAMHIXXTPQIEHT-UHFFFAOYSA-N 427.544 6.036 30 10 IKEE Cc1ccccc1C=C1Oc2c(CN(Cc3ccccc3)C(C)C)c(O)cc(C)c2C1=O 2324014979 ZMSGQONUADKWQP-UHFFFAOYSA-N 427.544 6.036 30 10 IKEE CC(C)c1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 2324356806 ZSXPPHFPOMYESK-XMMPIXPASA-N 426.585 6.702 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3F)c(Cl)c2)c(OC)c1 2324472343 COOZHAUIEUKHHM-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCCc3ccccc3)c([N+](=O)[O-])c2)c(OC)c1 2324473999 WAAXDLRNKAILNV-UHFFFAOYSA-N 433.460 5.130 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCCOc4ccc(C(C)(C)C)cc4)ccc3C2=O)c1 2324685713 DWEAIBKYGWELIM-UHFFFAOYSA-N 428.528 6.367 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3cc(OCc4ccc(C#N)cc4)ccc3C1=O)cn2C 2324757118 STLQIVBKLNUDAC-UHFFFAOYSA-N 436.467 5.254 30 10 IKEE COc1ccc(C=C2Oc3cc(OCc4ccccc4C#N)cc(C)c3C2=O)c(OC)c1 2325352689 ALMWZIXGIPJNQL-UHFFFAOYSA-N 427.456 5.079 30 10 IKEE CCCOc1cccc(C=Nn2c(CC)nnc2SCc2cccc3ccccc23)c1 2325603790 JXBYZMVLZBAWFH-UHFFFAOYSA-N 430.577 5.957 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1OC(=O)c1ccccc1 2325715718 GLKFGJBZAZPJSH-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE O=C(Cc1ccc(Cl)c(Cl)c1)Oc1cccc(C=CC(=O)c2ccccc2Cl)c1 2325717589 SFZSKXMZNVLGDX-UHFFFAOYSA-N 445.729 6.691 30 10 IKEE CCCc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc(Cl)cc3)c2)cc1 2325730342 IPRIPFJFWFNXCX-UHFFFAOYSA-N 434.919 6.173 30 10 IKEE CCCSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1ccc(F)cc1 2325884094 HLXDMZHGPDCTCQ-UHFFFAOYSA-N 448.567 5.966 30 10 IKEE CCCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1cccc(O)c1 2326147547 JMPDWAXXWXNKPH-UHFFFAOYSA-N 430.961 5.217 30 10 IKEE Cc1ccc(C)c(OCc2nnc(SCc3ccccc3)n2N=Cc2ccccc2)c1C 2327272698 KVQGBMDCRJSZJU-UHFFFAOYSA-N 442.588 5.957 30 10 IKEE Cc1ccc(C)c(OCc2nnc(SCc3ccccc3)n2N=Cc2cccn2C)c1C 2327272800 VWLXBYCMFYTKKD-UHFFFAOYSA-N 445.592 5.295 30 10 IKEE CCCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(O)c(OC)c1 2327771879 DHNHQIBNRBPOGQ-UHFFFAOYSA-N 432.549 5.121 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccc(Cl)cc3)n2N=Cc2ccco2)c1 2328029574 JEWTWIBXISVBKI-UHFFFAOYSA-N 436.968 5.793 30 10 IKEE Oc1ccc(C=Nn2c(CCc3ccc(Cl)cc3)nnc2SCc2ccccc2)cc1 2328056562 FBOHYKNUPVMMLK-UHFFFAOYSA-N 448.979 5.597 30 10 IKEE Cc1cccc(C=Nn2c(CCc3ccccc3C)nnc2SCc2ccc(F)cc2)c1 2329473247 UFRBQKAWZNYKSO-UHFFFAOYSA-N 444.579 5.994 30 10 IKEE Oc1ccccc1C=Nn1c(SCc2cccc(F)c2)nnc1-c1ccccc1Cl 2329551887 GSMKZGRQJVWGFK-UHFFFAOYSA-N 438.915 5.618 30 10 IKEE CCc1ccc(C=Nn2c(Cc3ccccc3F)nnc2SCc2ccccc2F)cc1 2329745809 VTPGXTFDXCYPGH-UHFFFAOYSA-N 448.542 5.884 30 10 IKEE C(=Nn1c(COc2ccccc2)nnc1SCc1ccccc1)c1c[nH]c2ccccc12 2329918851 KAIZNFVBALUCNL-UHFFFAOYSA-N 439.544 5.513 30 10 IKEE Fc1ccccc1CSc1nnc(CC2CCCCC2)n1N=Cc1c[nH]c2ccccc12 2330271509 VOJQHHVWLSFHNA-UHFFFAOYSA-N 447.583 6.196 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccc(F)cc2F)cc1 2330452120 DUOWQQWOXYHFGA-UHFFFAOYSA-N 434.515 5.630 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)cc1C 2330627081 FVIHMAXGKVXBQF-UHFFFAOYSA-N 435.863 5.980 30 10 IKEE C=CCc1ccccc1OC1CN(C(=O)C(=Cc2ccc(OCC)cc2)c2ccccc2)C1 2330640077 YEKFMMTTYVZZFB-UHFFFAOYSA-N 439.555 5.644 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccccc3)n2N=Cc2ccc3c(c2)OCCO3)c1 2330645730 RJZLYJJTSGVOOT-UHFFFAOYSA-N 442.544 5.199 30 10 IKEE O=C(COCc1ccccc1)Oc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1 2330680264 QTDRZJHWHKIIEN-UHFFFAOYSA-N 426.512 5.584 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)c1ccc(C)cc1 2331081730 MGFLHOWSSOFSLE-UHFFFAOYSA-N 442.845 6.051 30 10 IKEE Fc1ccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CCCC2)cc1 2331093044 BMIMVUIIFZEIGT-UHFFFAOYSA-N 449.382 6.556 30 10 IKEE COc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C(F)(F)F)cc1 2331154746 UKOIVLQKKPZHTO-UHFFFAOYSA-N 426.851 5.133 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCSC)c(OCC)c2)cc1 2331208454 OCPVOSPOQUSWTJ-UHFFFAOYSA-N 428.550 5.429 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(Cl)c3)c(OC)c2)cc1 2331212952 UNTLRJLVDGIFED-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE COCCc1nnc(SCc2cccc(F)c2)n1N=Cc1c(Cl)cccc1Cl 2331259093 JRCLIDAYIMSAGO-UHFFFAOYSA-N 439.343 5.087 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cncc(C)c3)c(OCC)c2)cc1 2331310831 NDUFATXTGVYLGC-UHFFFAOYSA-N 445.515 5.693 30 10 IKEE CC(C)Cc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc([N+](=O)[O-])cc1 2331455668 FMIKCVFLKXLOCJ-UHFFFAOYSA-N 429.933 5.213 30 10 IKEE C=CCSc1nnc(CC(C)C)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2331461852 ONNFBVDQGIBJRR-UHFFFAOYSA-N 441.000 5.869 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)c1ccc(C)cc1 2331864086 WLQBAICYPDMVGV-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O)c1ccccc1F 2401427 QEQRYBGCPDYLAB-JAIQZWGSSA-N 439.236 5.424 30 10 IKEE CC1(C)C(=S)N(c2ccc(C#N)cc2)/C(=N/C23CC4CC(CC(C4)C2)C3)[C@H]1N1CCCC1 15861660 DATKXTKVNMQNCR-VQGADMMLSA-N 446.664 5.564 30 10 IKEE Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(SCc4ccccc4)nn32)cc1 17097180 INKNDIJRHADGJW-QFIPXVFZSA-N 430.577 5.537 30 10 IKEE Cc1ccc(/C=C\C(=O)c2c(C)nc3ccc(Br)cc3c2-c2ccccc2)o1 33908140 DYNPFCBZGUZQRS-QBFSEMIESA-N 432.317 6.770 30 10 IKEE O=C(/C=C/c1ccccc1)Oc1ccccc1/C=C/C(=O)c1ccc(-c2ccccc2)cc1 34954131 JBCIHAWZXBNLHL-HVRLJPLISA-N 430.503 6.869 30 10 IKEE CCOc1ccc(/C=C/C(=O)c2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1 34954327 HRYGIUKPISTDSV-VIZOYTHASA-N 432.472 5.218 30 10 IKEE C=CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C(C)C 36304773 APAFCTNXBLZGJM-XMMPIXPASA-N 449.595 5.055 30 10 IKEE Cc1c(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(O)n(C2CCCCC2)c(=O)c1C#N 38618397 MJEMTEFJKHTFMC-CYBMUJFWSA-N 449.334 5.196 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCc4ccc(C(=O)OC)cc4)ccc3C2=O)cc1 39754500 SFXFCHCHHVASJJ-OYKKKHCWSA-N 430.456 5.067 30 10 IKEE Cc1ccc(-c2cnnn2-c2ccc(C(=O)Nc3sc4c(c3C#N)CCCC4)cc2)cc1 40180135 FACHAOLRLKJXRP-UHFFFAOYSA-N 439.544 5.307 30 10 IKEE C=CCc1ccccc1OCCCCn1c(/C=C/c2ccc(Cl)cc2)nc2ccccc21 40238582 KMBSOIPJOKAANW-KNTRCKAVSA-N 442.990 7.448 30 10 IKEE COc1ccccc1CN1COc2cc(C)c3c(c2C1)O/C(=C\c1cccc(F)c1)C3=O 41647354 HKCOTWNEDPPIJW-FMCGGJTJSA-N 431.463 5.111 30 10 IKEE C/C(=N\OCc1ccc2c(c1)OCO2)c1cc(-c2ccccc2)n(-c2cccc(C)c2)c1C 97634504 ISPTZVMDSPKAIB-ZTKZIYFRSA-N 438.527 6.431 30 10 IKEE CCCCCCCCCCCCCCCCOc1ccc(C(=O)O)cc1Br 101005847 QGRTVLCMBJQZAY-UHFFFAOYSA-N 441.450 8.007 30 10 IKEE CCCCCCCCCCCCn1c([C@H](C)NC(=O)[C@@H]2CCCO2)nc2ccccc21 102133478 IHNACFYKYWIHJL-URXFXBBRSA-N 427.633 6.313 30 10 IKEE CCN1/C(=C2/S/C(=N/C3CCCCC3)N(C3CCCCC3)C2=O)Sc2ccccc21 102149326 FHDQEWZBUVEURS-DIQLGICBSA-N 441.666 6.385 30 10 IKEE O=C1/C(=C/Nc2ccc(Cl)cc2)[C@H](Nc2ccc(Cl)cc2)Oc2ccc(Cl)cc21 109202812 UWKPRUGQGOONHN-BHSBJAHRSA-N 445.733 6.656 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2c2ccc(C)cc2)cc1 169925442 DXRXUDYDIRXGPI-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCCN1C(=S)N[C@@H](c2cccc(OCc3ccc(Cl)cc3)c2)C2=C1CCCC2=O 169930123 WZNKKKWFGNKLDR-QHCPKHFHSA-N 440.996 5.567 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1)c1cccc(Cl)c1 170057822 FSOPEBYQFZCWAK-HXUWFJFHSA-N 442.273 5.915 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2cccc(C)c2)c1 170141068 RQPVFUOPYUHJCS-CJAUYULYSA-N 439.511 5.410 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc(C)c1 170143738 BDSZCCHIXLBZOU-OAQYLSRUSA-N 437.879 5.029 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@@H]1c1ccc(C(C)(C)C)cc1 170150063 OSGXFTDZYLHKAL-QFIPXVFZSA-N 435.564 5.598 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 170150109 FJCRUIXBXFFVBX-NRFANRHFSA-N 441.955 5.634 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(OC)ccc3OC)[C@@H]2c2cccs2)cc1 170156856 VHRFAVVYSVMHRC-QFIPXVFZSA-N 449.528 5.111 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2cccnc2)cc1C 170187112 GWMONSYFGOOMAX-DEOSSOPVSA-N 442.515 5.269 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccccc2)cc1 170224913 HBNRCQXTLQQOGL-XMMPIXPASA-N 443.499 5.267 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccccc2)c(OC)c1 170225136 GRPNTEQMSWYHQB-XMMPIXPASA-N 443.499 5.104 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2)cc1C(C)C 170231436 XROLSJQOVGMRFQ-XMMPIXPASA-N 433.548 5.730 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccccc1F 170249543 LAEMGKKADIUEFE-QFIPXVFZSA-N 435.426 5.065 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc(O)c2)cc1C 170261945 KLLQBQGBZFTSEZ-QHCPKHFHSA-N 435.520 5.010 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1ccccc1C 170271342 VHKWDJZSJMHFSS-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccco1)c1ccc2c(c1)CCCC2 170296054 KPCXVSWDQFNHRS-HSZRJFAPSA-N 431.463 5.076 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2ccc(Cl)cc2)o1 170303003 YECFYBGQRMMZNK-NRFANRHFSA-N 432.863 5.506 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2ccc(C(C)C)cc2)c1 170378073 URRGGVNBABPVEJ-DEOSSOPVSA-N 442.515 5.387 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)CC(C)C)[C@H]1c1ccc(C(C)(C)C)cc1 170470181 BMCWCBVKDNNMNJ-HSZRJFAPSA-N 439.983 6.461 30 10 IKEE CCCCCCCOc1ccc(NC(=S)NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)cc1 206602905 MJVODIGCXUXPTG-GDNBJRDFSA-N 441.553 5.470 30 10 IKEE Cc1ccc(COc2ccc(C=Nc3cc(-c4ccccc4)nn3-c3ccccc3)cc2)cc1 252592747 BGNKGJNGCGBOOX-UHFFFAOYSA-N 443.550 7.177 30 10 IKEE C=CCn1c(SCC(=O)c2ccc(OC)c(OC)c2)nnc1-c1ccc2ccccc2c1 253563601 FPOMDBUTFJJVBJ-UHFFFAOYSA-N 445.544 5.277 30 10 IKEE CCC(C)(C)[C@@H]1CCc2sc3ncnc(NN=C/C=C\c4ccccc4OC)c3c2C1 254398960 OQMKVRXONMWMOV-HIMMBLDYSA-N 434.609 6.352 30 10 IKEE COc1ccc(C=NNC(=S)N[C@@H]2C[C@@H](C)CC(C)(C)C2)cc1OCc1ccccc1 254744963 JZZUWEHFCXEDNH-WIYYLYMNSA-N 439.625 5.287 30 10 IKEE CSc1nc2ccc(N=Cc3ccc(Sc4nccn4C)c([N+](=O)[O-])c3)cc2s1 254750117 MJVRWGWESRIFNK-UHFFFAOYSA-N 441.563 5.562 30 10 IKEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(NC(=O)c2ccc(OCc3ccccc3)cc2)c1 405002048 MMXQBCRGJNXMOM-UHFFFAOYSA-N 443.352 5.126 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1sccc1Br)NCCC 406498355 LEBSQNVTZCRXBT-CVEARBPZSA-N 431.440 5.281 30 10 IKEE C=C(COCC)[C@H](NCCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 407092537 NHTFRNKYCJPJQN-SFHVURJKSA-N 427.383 5.430 30 10 IKEE C=C(COC(C)C)[C@H](NCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 407412859 MYKAIMQWRGWUPY-SFHVURJKSA-N 427.383 5.428 30 10 IKEE Cn1cc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2C#N)c2ccccc21 526606182 IDPRLBVULHQQOU-XMMPIXPASA-N 439.902 5.761 30 10 IKEE Cc1ccc(SC2=C(Nc3ccccc3C#N)C(=O)N(c3cc(C)ccc3C)C2=O)cc1 526660838 PHYRCWQEENBJKF-UHFFFAOYSA-N 439.540 5.473 30 10 IKEE CCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1c(O)ccc2ccccc12 526805411 JZEXHXTWZYJZTJ-YUMHPJSZSA-N 444.604 6.171 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1ccc(OCCC)cc1 526809343 ITSXGUDCWAEGHX-ONUIUJJFSA-N 436.625 6.201 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccc(OC(C)C)cc1 526812844 OQRTWWYZMSWZJT-MYYYXRDXSA-N 443.016 6.236 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1ccccc1OC 526814621 IYCXCMSGHMVUSC-FMCGGJTJSA-N 435.380 5.721 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1ccc(OC(C)=O)cc1 526819104 OYPLEBIPOVQRCL-MYYYXRDXSA-N 436.581 5.337 30 10 IKEE CC(C)(C)c1ccc(S(=O)(=O)N(CCCC#N)c2ccc(OC(F)(F)F)cc2)cc1 586251410 OHIAFNAEBMHWQH-UHFFFAOYSA-N 440.487 5.382 30 10 IKEE N#Cc1ccccc1NC(=O)Nc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1 586721885 MFIHBKMMVFYPDQ-UHFFFAOYSA-N 425.492 5.055 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@](C)(C#N)c1ccc(Br)cc1F 698346618 AYXWBXMWJTZVJV-HXUWFJFHSA-N 425.342 5.897 30 10 IKEE CC(C)(C)OC(=O)N(C[C@H]1CCCO1)[C@H](C#N)c1cc(Br)c(Cl)s1 698350337 IZHBMFCTIZMQRH-ZYHUDNBSSA-N 435.771 5.145 30 10 IKEE COc1ccc(Br)cc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(C)c1 698416402 FFIWXWDUQHHYEN-GOSISDBHSA-N 431.330 5.773 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1cccc(O)c1Cl 698453625 VDYDJAUQUBUYHE-HNNXBMFYSA-N 437.721 5.814 30 10 IKEE C[C@H]1N(C(=O)OC(C)(C)C)CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 698884582 LHDCMZSWALUMIS-MWTRTKDXSA-N 433.524 5.249 30 10 IKEE CCCCCCCCCC[C@H](NN)c1scc(Br)c1Br 705407807 YQIKWNTUNNFQEN-ZDUSSCGKSA-N 426.262 6.308 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@H](C#N)c1ccc(Br)c(F)c1 710751514 FSKMTTXIICACTL-GOSISDBHSA-N 425.342 6.113 30 10 IKEE Cc1cc(C(C)(C)C)cc(C)c1C(=O)/C=C\c1ccc(OCc2ccc(Cl)cc2)cc1 1081102137 YXGLUWIXSPJAHF-GDNBJRDFSA-N 432.991 7.729 30 10 IKEE C=CCCC(C)(C)CNC(=O)CCSCc1nc(O)c2c3c(sc2n1)CCCC3 1302189706 OBJRJAMAYCKLLF-UHFFFAOYSA-N 433.643 5.008 30 10 IKEE Cc1ccc(-c2c(C)sc3nc(-c4ccccc4)n(Cc4cccc(C#N)c4)c(=O)c23)cc1 1857802279 DRZLCBUWUPDYHJ-UHFFFAOYSA-N 447.563 6.329 30 10 IKEE Cc1ccc(NC(=S)N/N=C\c2cn(-c3cccc(Cl)c3)nc2-c2ccccc2)cc1 1857811711 YMUSMSQWEKFLMQ-YSMPRRRNSA-N 445.979 5.822 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)c2ccc(F)c(C)c2)c(=O)cc1C(=O)O 1857890781 DFBYUMXZCOAKQE-UHFFFAOYSA-N 445.531 5.396 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2cc(C(=O)OCC)c(Br)cn2)c1 1858758948 UEEGXKBEIBCLSP-UHFFFAOYSA-N 446.345 5.111 30 10 IKEE N#Cc1cccc(C(=O)Oc2cccc3c(NC(=O)c4ccc(F)cc4F)cccc23)c1 1858930439 JRDOVDCZNJGNKH-UHFFFAOYSA-N 428.394 5.461 30 10 IKEE N#Cc1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2Cl)n(Cc2ccccc2)n1 1859407619 SZVKIQQWEFLKSA-UHFFFAOYSA-N 447.325 6.029 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccccc2OC)n(Cc2c(F)cccc2Cl)n1 1862336437 HZMMEIWTAZCPEZ-UHFFFAOYSA-N 439.918 5.214 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(OC)c(F)c2)n(-c2cccc(Cl)c2)n1 1862367985 CYGORSFRAMHXDX-UHFFFAOYSA-N 425.891 5.155 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862414186 UKMCKLJILDWAFH-UPCLLVRISA-N 447.481 5.867 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccccc1F)c1ccccc1Cl 1862430802 SFKAKMZLGLPKBQ-NRFANRHFSA-N 439.845 5.397 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@H]1c1cccc(F)c1)c1ccccc1Cl 1862431495 IJLRMXILKCBXHV-QFIPXVFZSA-N 441.930 6.170 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1c(Cl)cccc1Cl 1862443519 MLNAXCQURWTLAP-ZMZPIMSZSA-N 438.738 6.024 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccc(O)cc1)c1cccc(Cl)c1 1862444180 XHEDUHNDXSRICC-NRFANRHFSA-N 425.912 5.347 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)ccc1F 1862508239 FIOJVALAWMDIDF-LJQANCHMSA-N 436.310 5.675 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2cccc(Cl)c2)cc1 1862516829 YDMITOZXEOUCIQ-OAQYLSRUSA-N 427.928 5.363 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(Cl)c(Cl)c1)c1cccc(O)c1 1862598578 TXMLZMKCRJZRSE-IBGZPJMESA-N 432.303 5.220 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc2c(c1)CCCN2C 1862622398 DMOCDCWMORJANM-XMMPIXPASA-N 444.575 5.131 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2Cc2ccccc2)cc1 1862649617 CFIVOQATISBSHK-MHZLTWQESA-N 447.534 6.181 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc(OCCC)c1 1862682918 SPHIAZYYUXFNLP-JOCHJYFZSA-N 425.500 5.383 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2cc(Cl)cc(Cl)c2)cc1 1862690058 GSWDUZBBYHFKTB-IBGZPJMESA-N 434.319 5.236 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862691060 XISMXGVPWFHWTL-BLVKFPJESA-N 434.319 5.379 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCc2ccccc2)c1 1862713032 FZTUFGKZYZXNQB-HHHXNRCGSA-N 447.534 5.969 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(N(C)C)cc1 1862714381 JNMATGMVURUUMK-VWLOTQADSA-N 442.559 5.530 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc2ccccc12 1862719383 KRRCCAKTUAKCFL-WXTAPIANSA-N 435.523 6.370 30 10 IKEE Cc1ccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1C 1862798427 JYZDTUXBHACMEM-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(C(F)(F)F)c3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862897632 XYGNWYADVYZSRJ-UHFFFAOYSA-N 447.416 5.282 30 10 IKEE COc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(C(C)C)cc3)C2=O)cc1 1862960417 IHRYIKMWWJTUEZ-UHFFFAOYSA-N 437.499 5.087 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCOC(C)C)=C(c2ccccc2F)C1=O 1863645112 ZVHOUQAANATPSJ-UHFFFAOYSA-N 446.607 5.451 30 10 IKEE C=CCOc1ccccc1OCC(=O)NCC[C@H](C)c1cccc(-c2ccc(O)cc2)c1 1865929116 DPCUSFVMVZPPJZ-FQEVSTJZSA-N 431.532 5.313 30 10 IKEE CC(C)c1nc(Nc2cccc(C#N)c2)cc(N2CCO[C@H](c3cccc(Cl)c3)C2)n1 1868221564 QZHJVEIKMYKEFM-NRFANRHFSA-N 433.943 5.447 30 10 IKEE COCCc1nc(Nc2ccc(C#N)cc2)cc(N2CCC[C@H]2Cc2ccc(Cl)cc2)n1 1868266140 SZVQNYGJCBTAOS-QFIPXVFZSA-N 447.970 5.146 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3cc(OC)ccc3[C@H]2C)nc(-c2ccc(F)cc2)n1 1869273438 VBGXVUQRJVXAIB-LJQANCHMSA-N 444.554 5.593 30 10 IKEE CCCCCCCCCCn1cc(OCCCCC)c(=O)cc1CSc1ccccc1 1870188213 AQHCMVWTYFXYBS-UHFFFAOYSA-N 443.697 7.850 30 10 IKEE C=CCOc1cn(Cc2ccccc2Cl)c(CNc2cc(Cl)ccc2C)cc1=O 1870809885 AAHIFWSZHLMHFX-UHFFFAOYSA-N 429.347 5.689 30 10 IKEE COc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(C2CCCCCC2)C4)c(OC)c1 1871351871 DXZFWWTUEZAWHP-CFRMEGHHSA-N 449.547 5.503 30 10 IKEE COc1ccc([C@@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2ccc(Cl)cc2)C4=O)cc1 1871354635 WHDCICVQMSFJTP-ACMDDDSKSA-N 447.918 5.878 30 10 IKEE Cc1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871367010 UBNMODOLVFDOBS-BESOIZRISA-N 430.887 6.192 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3)ccc2C1=O 1871374752 CERFWBPMSPPGPU-DHLMYGRGSA-N 446.886 5.974 30 10 IKEE Cc1c(OC(=O)/C=C/c2ccccc2)ccc2c1O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 1871385057 CVYDLLUICVRSJM-KKMZKOGESA-N 438.523 6.528 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OC(=O)c3cccc(OC(=O)C(C)C)c3)ccc2C1=O 1871390359 RUHQEEXOCGYJIU-BKUYFWCQSA-N 448.496 5.453 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871405547 FWEKMSFDJUKUMU-YOBACFSGSA-N 447.462 5.165 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(O[C@H](C)C(=O)Nc4ccc(C)cc4)c3C)C2=O)cc1 1871407495 LTRAZYCJWVEQJU-BEXDPUPVSA-N 443.499 5.334 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871409081 WVHGZIXODGBTEY-ICODJCHTSA-N 431.463 5.465 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2OC)C3=O)cc1 1871412417 ZJYRIPJJMBWWLT-HAWKZNDISA-N 443.499 5.280 30 10 IKEE CCc1ccc(OCCCOc2cc(C)c3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871412932 MBIGCENZSNBYFP-XYGWBWBKSA-N 448.946 6.675 30 10 IKEE Cc1c(OCC(=O)C(C)(C)C)ccc2c1O/C(=C\c1ccc(Br)cc1)C2=O 1871419962 QTKWRZCJMWQIJQ-WQRHYEAKSA-N 429.310 5.368 30 10 IKEE Cc1cc(OCC(=O)N[C@@H](C)c2ccccc2)cc2c1C(=O)/C(=C/c1ccccc1Cl)O2 1871424482 KYMQQTJSNIVSMC-ICODJCHTSA-N 447.918 5.521 30 10 IKEE CCCOC(=O)[C@H](CC)Oc1ccc2c(c1C)O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 1871434957 WPQVBWZFQRAKAO-BNDVRQRFSA-N 436.548 6.019 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OCc4ccc(C(=O)OC)o4)ccc3C2=O)cc1 1871438760 QEKROYYDMJVDLB-OYKKKHCWSA-N 447.487 5.108 30 10 IKEE CCOc1ccc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc1OC 1872783862 JRYJZBHNGXTZGO-FQEVSTJZSA-N 434.561 5.643 30 10 IKEE C=CCc1ccccc1OCc1ccc(C(=O)Nc2cccc(C(=O)OC(C)C)c2)cc1 1872859107 FJWYXQSGCOFXEG-UHFFFAOYSA-N 429.516 5.812 30 10 IKEE CCCCCCCCNC(=O)c1cc2c(N3C[C@H](C)C[C@@H](C)C3)ncnc2n1CC(C)C 1873577371 OHVRKXKRZCFLNS-NHCUHLMSSA-N 441.664 5.660 30 10 IKEE C=CCSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1ccccc1C 1874209889 WHBFYCABEUDXBQ-HYARGMPZSA-N 427.371 5.100 30 10 IKEE C(=N/n1c(CC23CC4CC(CC(C4)C2)C3)nnc1SCc1ccccc1)\c1ccncc1 1874243624 PEDHRJXKQITAGC-OGLMXYFKSA-N 443.620 5.607 30 10 IKEE CCCc1ccc(OCc2nnc(SCCc3ccccc3)n2/N=C/c2ccc[nH]2)cc1 1874258044 GOGIZLJWJZRTFI-OVVQPSECSA-N 445.592 5.355 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1cccc(OCCC)c1 1874264273 PDPTXNAJSOZDRA-BUVRLJJBSA-N 442.972 5.460 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccc(C)cc3)n2/N=C/c2ccccc2F)cc1 1874348037 SDGDOJNIHOBHMZ-JVWAILMASA-N 446.551 5.500 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2)n1/N=C/c1cccc(F)c1 1874362824 YQHQDQKXOREPKU-WPWMEQJKSA-N 430.552 5.685 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2-c2ccccc2Cl)cc1 1874366490 WRRRHIWNLNJKOK-JVWAILMASA-N 447.007 6.644 30 10 IKEE Cc1ccccc1/C=N/n1c(Cc2ccccc2F)nnc1SCCc1ccccc1 1874376036 BEFFGDADJKLJET-OVVQPSECSA-N 430.552 5.533 30 10 IKEE COc1ccccc1/C=N/n1c(Cc2ccc(F)cc2)nnc1SCc1cccc(C)c1 1874378196 IKILSYBTTIMUQN-JVWAILMASA-N 446.551 5.500 30 10 IKEE Fc1ccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccccc2Cl)cc1 1874406796 WJZPQHSZVKBFGO-CVKSISIWSA-N 442.991 6.368 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2-c2cccs2)c1 1874425302 ASEIRVOBKLYOPX-WYMPLXKRSA-N 442.972 6.282 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SCCC)nnc2[C@@H]2CCCO2)cc1OCC 1874449600 GWOSLUOQKNCUHN-MHIQDMOBSA-N 446.617 5.482 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2C2CCC2)c1 1874496173 YDQJVFOBJVWEFP-WGOQTCKBSA-N 434.609 6.126 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(CC)n2/N=C/c2ccc(C(C)(C)C)cc2)cc1 1874524033 UFFJEYWQAIKZOM-WGOQTCKBSA-N 449.624 5.313 30 10 IKEE C[C@H](c1ccccc1)c1nnc(S)n1/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 1874561096 DDAGOHACRAIATA-CIRUFVMISA-N 448.979 5.833 30 10 IKEE CCCCCCOc1ccc(/C=N/n2c(S)nnc2Cc2ccccc2F)cc1OC 1874561645 AMHFPLUGBUHZJU-PCLIKHOPSA-N 442.560 5.147 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl)c1ccc(F)cc1F 1874576361 JQZLBRUBYZZNLB-XBXARRHUSA-N 437.244 6.886 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCc2cccc3ccccc23)c2ccccc12 1874591853 FRJUPQGGISDFEY-HTXNQAPBSA-N 444.530 7.477 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc1OCc1ccc(C)cc1 1874600327 GSAKTSQVQIPCQP-PKNBQFBNSA-N 436.935 6.449 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OCC(=O)Nc3cccc(C)c3)c2)cc1C 1874600896 IWPVOBSIFOKHMW-VAWYXSNFSA-N 429.516 5.534 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1 1874610780 KPUBKUBYXGKBAO-OVCLIPMQSA-N 430.460 5.125 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(F)cc1 1874613459 VMXTUBNGDQYOIX-VZUCSPMQSA-N 439.870 5.401 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 1874620094 IQIUOFPOMMBRMZ-FMIVXFBMSA-N 449.478 6.225 30 10 IKEE C=CCOc1c(Br)cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OCC 1874624046 JDDAUOKKUZMXEN-KPKJPENVSA-N 429.354 6.432 30 10 IKEE CCc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc4ccccc4c3)ccc2OC)cc1 1874692393 DRSBYJVNAYHZGN-MHWRWJLKSA-N 436.507 6.526 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(N(C)C)cc3)c2)cc1 1874695653 MNWWBPBUZKFJNS-XDHOZWIPSA-N 427.544 6.211 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@H](C)Oc3ccc(Cl)cc3)c2)cc1 1874697643 IQVCOBGEEHPBMB-CVDFKLHSSA-N 436.891 5.618 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2cc(/C=C/C(=O)c3ccc(C)c(C)c3)ccc2OC)c1 1874713772 NDOQRUXVGRYVBG-JXMROGBWSA-N 446.499 5.445 30 10 IKEE CSCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1Cl 1875097585 SDMHIFROARIDRU-XYOKQWHBSA-N 428.981 6.164 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OC)cc3)c(OC)c2)cc1 1875107838 LXHASUCISDZLMO-RQZCQDPDSA-N 444.527 6.162 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 1875128030 KCKUCAOMLBSUEA-FMIVXFBMSA-N 447.443 5.036 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2OC)cc1 1875128936 BYOLJZRIXFMKGP-RVDMUPIBSA-N 430.500 5.528 30 10 IKEE CCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1OC 1875165613 QEHCFVSZAMMVPB-XNTDXEJSSA-N 432.472 5.708 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)c1cccc(C)c1 1875166296 FGQYWHARNHJJFY-JLHYYAGUSA-N 444.527 6.134 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)c(Cl)c2)cc1C 1875175291 IMQSHIOVLTWMHH-VGOFMYFVSA-N 446.974 7.370 30 10 IKEE Cc1nc(-c2cccs2)sc1C(=O)NCC#CCOc1cccc(C(F)(F)F)c1 1891495529 FRZPYPRZLFWILG-UHFFFAOYSA-N 436.480 5.011 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)[C@H]2C[C@@H]21 2008454596 STFYQZQZBKODPO-AXHZCLLHSA-N 433.593 5.238 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2016224225 IQDHQWIXGRZXRD-HOYKHHGWSA-N 429.561 5.357 30 10 IKEE C#CC(C)(C)C[C@@H](NCCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2048685116 VHXWEVHXKWJBBV-YIXXDRMTSA-N 442.644 5.248 30 10 IKEE COc1ccc2cc(C(=O)C=Cc3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)ccc2c1 2053508771 FCXKTSWSJZFHKR-UHFFFAOYSA-N 438.483 6.421 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2070603596 VAZBMMVZYQJZDJ-BXKMTCNYSA-N 447.551 5.497 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Cl)cc1Br 2077807671 XQPQDKOEIBDLHC-DLBZAZTESA-N 431.802 5.613 30 10 IKEE C=CCC[C@H](C)[C@H](NCCC)c1cc(Br)ccc1I 2102099800 GPXRLTVHTZMKOD-LRDDRELGSA-N 436.175 5.697 30 10 IKEE C#Cc1ccccc1CNc1c(Br)cc(Br)cc1Br 2113844751 OTJGWXMRDQEWCB-UHFFFAOYSA-N 443.964 5.568 30 10 IKEE CCCCCCC[C@@H](NCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134729568 IRUUIMWFUHILIV-MUUNZHRXSA-N 445.647 7.856 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2cc(O)ccc2Br)c1 2144511433 BQMBHUHTGHLKKJ-GOSISDBHSA-N 433.302 5.170 30 10 IKEE CC1(C)CC2(CC2)C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Br)C1 2146888167 BNXPAXCJSBWAOG-JOCHJYFZSA-N 433.390 6.443 30 10 IKEE CCCCCCCCC[C@H](N)[C@@H](O)c1cc(Br)c(Br)s1 2148616057 DDPBSSLYSNQZOY-GXTWGEPZSA-N 427.246 5.775 30 10 IKEE C=C(Br)CCOc1c(Br)cc(Cl)cc1CNC(C)(C)C 2163482447 AKKWRFSRRDNZNQ-UHFFFAOYSA-N 425.592 5.668 30 10 IKEE C[C@H]1[C@H](Nc2cc(Br)cc(F)c2C#N)CC(C)(C)CN1Cc1ccccc1 2163690221 QBIGXACZFLVWBU-YCRPNKLZSA-N 430.365 5.561 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@]1(C#N)Cc1c(Br)sc2ccccc12 2224757756 ZYMBAIKONOZJSR-FQEVSTJZSA-N 435.387 5.890 30 10 IKEE CCCCCCCC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229111440 IXSZWXZFUWFBBR-SFHVURJKSA-N 426.395 5.815 30 10 IKEE C=CC[C@]1(COc2cc(NC(=O)OC(C)(C)C)ccc2N)CCN(C(=O)OC(C)(C)C)C1 2259527151 IQPJPZSOLBRKGA-DEOSSOPVSA-N 447.576 5.198 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@H](C#N)c1sc(Cl)cc1Br 2259914337 MCPLAHYEBDOFRN-CYBMUJFWSA-N 445.741 6.309 30 10 IKEE O[C@@H](CC#CC1CCCC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2261162111 PWSQWXIZWRJQMU-MHZLTWQESA-N 426.556 6.462 30 10 IKEE CC(C)(C)OC(=O)NCc1cccc(Cl)c1Nc1cc(Br)cnc1C#N 2269482210 GPXUMTBJFVTZDG-UHFFFAOYSA-N 437.725 5.137 30 10 IKEE COc1cc(O)ccc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2282785074 YWVNQWUBDFIFLE-QGZVFWFLSA-N 433.302 5.170 30 10 IKEE CCCCCCOc1ccc(C=CC(=O)C=Cc2ccc(OCCCCCC)cc2)cc1 2293355474 XKEDONQIWMPPPP-UHFFFAOYSA-N 434.620 7.901 30 10 IKEE O=C1NC(=Nc2ccc(F)cc2)SC1=Cc1ccc(-c2cc(C(=O)O)ccc2Cl)o1 2294009880 VLXUERIDZMIKPA-UHFFFAOYSA-N 442.855 5.329 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@@H](C#N)c1cc(Cl)c(O)c(Cl)c1 2296282320 VIFNCRUASJAHBZ-INIZCTEOSA-N 427.715 6.359 30 10 IKEE Cc1nc(N2C(=O)C(=O)C(=C(O)c3cccs3)[C@H]2c2cccc(Cl)c2)sc1C 2297057283 WXJIVONQSKYAPY-MRXNPFEDSA-N 430.938 5.101 30 10 IKEE N#Cc1ccccc1COc1ccc(C=C2SC(=Nc3ccc(F)cc3)NC2=O)cc1 2313557498 FEFUJULDZLHDTF-UHFFFAOYSA-N 429.476 5.168 30 10 IKEE CCCCCCCCCCN1C(=O)C(=Cc2c(C)nc3scc(C)n23)SC1=S 2318684029 NKJUITHZCBXUBV-UHFFFAOYSA-N 435.684 6.355 30 10 IKEE CCCCCCCCCOc1ccc(C=Nn2c(S)nnc2C2CCC2)cc1OC 2321901757 SUHNXRXKXOZQSG-UHFFFAOYSA-N 430.618 5.855 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCc2ccc(F)cc2)c1 2322371897 KBJBTBJBJQZDMC-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(C)c2)c1 2322617500 ZZLSYGLGUQHALO-UHFFFAOYSA-N 447.962 6.487 30 10 IKEE COc1cccc(C=CC(=O)c2cccc3ccccc23)c1OCc1c(F)cccc1Cl 2322724742 NDKYSBZWUBFJII-UHFFFAOYSA-N 446.905 7.116 30 10 IKEE C=C(C)COc1ccc(Br)cc1C=CC(=O)c1cc(Cl)ccc1Cl 2322999224 KDUIUHJCNYDYLR-UHFFFAOYSA-N 426.137 6.607 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1 2323063417 ZIUNMELWKZGGGH-UHFFFAOYSA-N 443.543 5.788 30 10 IKEE Cc1ccc(CCC(=O)Oc2ccc3c(c2)OC(=Cc2cn(C)c4ccccc24)C3=O)cc1 2323081375 AIAWDKHFDNLYJH-UHFFFAOYSA-N 437.495 5.641 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1 2323134903 UDTQYTKRJZMIDQ-UHFFFAOYSA-N 427.327 6.867 30 10 IKEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CCc2cc(NC(=O)OC(C)(C)C)ccc21 2323293826 LGFYYASFBOZIMD-AREMUKBSSA-N 436.552 5.338 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1C 2323317845 GISLCLGRQIYCIW-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc(Cl)c2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 2323371037 SRRCOXCVVSKMRG-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE CCOc1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2F)C3=O)cc1 2323511715 HVTCDBPEKNPZLG-UHFFFAOYSA-N 444.458 5.768 30 10 IKEE CCCOc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(OC)c2)C3=O)cc1 2323827208 HHDNWBJIVREJTG-UHFFFAOYSA-N 444.483 5.628 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 2323832129 NORFCUPYYNMSBJ-UHFFFAOYSA-N 437.879 6.122 30 10 IKEE CCN(CC)C(=O)COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1Br 2323946282 VSVDCVOUZNLMJU-UHFFFAOYSA-N 444.369 5.209 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(Cl)c(OCc2ccccc2C)c(OC)c1 2323987398 YQYUQCSZZHZOTH-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OCc2cccc(Cl)c2)c(Cl)c1 2323992346 PIHXNSDPGXFRPC-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OCc3cccc(F)c3)cc2)cc1 2324208746 GWJHXMFIVOOPSK-UHFFFAOYSA-N 446.562 7.650 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 2324260453 GHXONNIKGZACRE-UHFFFAOYSA-N 439.414 5.747 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccco2)C3=O)cc1Cl 2324353792 LVWKGCZLISUCER-HNNXBMFYSA-N 437.879 5.572 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccccc2F)C3=O)cc1 2324379448 ZHAPMBZSFNSOGV-KRWDZBQOSA-N 431.463 5.465 30 10 IKEE CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1 2325424378 QQBXUDJRWLQGSR-INIZCTEOSA-N 445.446 5.051 30 10 IKEE Fc1ccccc1CSc1nnc(Cc2ccccc2)n1N=Cc1ccccc1Cl 2325489381 SAGGLMBDGWWRCA-UHFFFAOYSA-N 436.943 5.836 30 10 IKEE CCOc1c(C=Nn2c(CC)nnc2SCc2cccc3ccccc23)cccc1OC 2325603880 HBVYZEUEWIBRCZ-UHFFFAOYSA-N 446.576 5.576 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OCC(=O)NCc3ccccc3Cl)ccc2C1=O 2325633247 YPBQZVBYCNLKLB-UHFFFAOYSA-N 439.920 5.021 30 10 IKEE CCc1ccc(CCC(=O)Oc2cccc(C=CC(=O)c3ccc4ccccc4c3)c2)cc1 2325700665 IDOJXNZATLYPPV-UHFFFAOYSA-N 434.535 6.837 30 10 IKEE COc1cccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2)c1 2325707797 RROLFEQFZDDDSX-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2cc(Cl)ccc2Cl)c1)c1ccc([N+](=O)[O-])cc1 2325722403 JEUNUKWTGNKUOS-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(OC)cc2)n1N=Cc1cccc(Cl)c1 2326269209 HGSFQMWIDKYEIZ-UHFFFAOYSA-N 442.972 5.112 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1cccc2ccccc12 2327205345 NIIDYFXSSFQFLH-UHFFFAOYSA-N 442.588 5.912 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccc(Cl)cc3)n2N=Cc2ccccn2)cc1 2328008035 JJCYEWRCPBIZPB-UHFFFAOYSA-N 447.995 5.595 30 10 IKEE Cc1ccc(N=CC2=C3NC4=C(C=Nc5ccc(C)cc5)CCC[C@@]4(C#N)C=C3CCC2)cc1 2328662911 KBBVYRQYYZVFGL-PMERELPUSA-N 446.598 7.324 30 10 IKEE Cc1ccccc1C=Nn1c(COCc2ccccc2)nnc1SCc1cccc(F)c1 2329317647 BBVBMASKBBRNTR-UHFFFAOYSA-N 446.551 5.617 30 10 IKEE Cc1ccc(C=Nn2c(CCc3cccs3)nnc2SCc2cccc(F)c2)cc1 2329647201 YGQFAPMZBNQCFK-UHFFFAOYSA-N 436.581 5.747 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2cccc3ccccc23)n1N=Cc1ccncc1 2330124356 WIKBGPVKWIYRRY-FQEVSTJZSA-N 449.583 6.153 30 10 IKEE Cc1ccsc1C(=O)Oc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1[N+](=O)[O-] 2330664519 FFMKUBZIAVERNV-UHFFFAOYSA-N 443.480 6.233 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1cccc(C)c1 2330704988 DEUVOJQDYQQBGN-UHFFFAOYSA-N 426.512 5.998 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)COc3c(C)ccc(C)c3C)cc2)c1 2330775742 BEXWKLUSIHLZEA-UHFFFAOYSA-N 430.500 5.501 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1Cl)c1ccccc1F 2330807577 GCGVXWOPHLMUBO-UHFFFAOYSA-N 449.692 6.901 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(Br)cc3)cc2)cc1 2330881139 CBHFOZPAKXGAKQ-UHFFFAOYSA-N 435.317 5.802 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 2330949472 YCOVCEKDMPQSAH-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE Clc1ccc(CSc2nnc([C@H]3CCCO3)n2N=Cc2ccncc2)cc1Cl 2331001000 HEBBRAHUSYSTBX-QGZVFWFLSA-N 434.352 5.006 30 10 IKEE C[C@@H](Oc1ccc(Cl)cc1)C(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1 2331138498 YUKUOJDUYCATBF-MRXNPFEDSA-N 441.310 6.262 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(SCCc3ccccc3)nnc2C(F)(F)F)cc1 2331142262 DYTLLEGCNFJPLB-UHFFFAOYSA-N 432.515 5.811 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC(=O)[C@@H](C)c1ccccc1 2331154762 WKHGEFFFMXZQLS-SFHVURJKSA-N 434.919 6.344 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)c1ccccc1F 2331216565 SPYZJUXLMKGMGU-UHFFFAOYSA-N 434.463 5.575 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(Cl)c(OC(=O)C(F)(F)F)c(OC)c1 2331351003 IZEQTLAPGQZELB-UHFFFAOYSA-N 428.790 5.029 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)c3cccc(C)c3)c(Cl)c2)c1 2331385834 LTABTDCVKXNHSM-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)[C@H](C)c1ccccc1 2331408235 LOOMSDBAIKXVNO-GOSISDBHSA-N 444.483 5.072 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1ccc(F)cc1F 2331510443 JZFUOKLPOFOXGL-UHFFFAOYSA-N 436.454 6.212 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)c2cccc(Cl)c2)cc1 2331546477 VJKHNQPLSHHITC-UHFFFAOYSA-N 448.946 6.761 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)Cc1cc(C)ccc1C 2331715243 XMUSXKIQNYGQTO-UHFFFAOYSA-N 428.528 5.973 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1)c1ccc2c(c1)OCO2 2331859860 XUSNPJPZHKQOLP-UHFFFAOYSA-N 441.266 5.837 30 10 IKEE CC1(C)C[C@@H](CNc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CN1Cc1ccccc1 2365067935 LCKQTJWYOPLZSF-NSFRLNINSA-N 447.432 5.439 30 10 IKEE CCCCCCCCN(C)[C@@H](CN)c1sc(Cl)cc1I 2366644637 CQLKFJHUGMWWRY-ZDUSSCGKSA-N 428.811 5.298 30 10 IKEE CC1(C)OB(/C=C/c2ccc(SCc3ccccc3Br)nc2)OC1(C)C 2366975503 JEMUDZXTRFSZGZ-VAWYXSNFSA-N 432.192 5.781 30 10 IKEE C=CCN(CC(=C)Br)[C@]1(C(=O)O)CCC(C)(C)C[C@H]1OCc1ccccc1 2378545405 KDKZAUXXCUNTLW-DENIHFKCSA-N 436.390 5.002 30 10 IKEE CCc1ccccc1N/C(=N\C(=O)c1cccc(Cl)c1)NCCc1c[nH]c2ccccc12 32943373 PYZOEESJVHDPER-UHFFFAOYSA-N 444.966 5.824 30 10 IKEE O=C(Oc1ccc(F)cc1C(=O)/C=C\c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 33442067 DSSNUZRXMXKFCB-POHAHGRESA-N 425.799 5.503 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)C)cc2)c1 34953925 JGGQJIMHSNQOBC-VWLOTQADSA-N 440.543 5.600 30 10 IKEE CCc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3ccc(OC)cc3)C4)C2=O)cc1 41588087 WICOGROHWJXTBA-MXAYSNPKSA-N 441.527 5.534 30 10 IKEE CCCCCCN(CCCCCC)CN1C(=O)/C(=N/c2cccc(F)c2)c2ccccc21 59377590 FFYXCXLPJMPJBZ-PBBVDAKRSA-N 437.603 6.713 30 10 IKEE Cc1ccc(/N=C2/SCCCN2C(=O)Cc2c(Cl)cccc2Cl)cc1Cl 96545229 SPNQELREYYCJDW-FCDQGJHFSA-N 427.784 6.151 30 10 IKEE CCCCCCCOc1cccc(NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)c1 100246310 ATFCOOKIMDIREC-QFIPXVFZSA-N 431.576 7.109 30 10 IKEE CN1C(=O)C[C@@H](C(=O)Nc2cccc(Cl)c2)S/C1=N\c1cc(Cl)cc(Cl)c1 100263057 LDZWVSNWQILZJU-ACNSNUFOSA-N 442.755 5.237 30 10 IKEE C=CCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)S/C1=N/c1nc(-c2ccccc2)cs1 101130590 CPICSWYTDQTBTF-ZOVWXIRQSA-N 448.529 5.508 30 10 IKEE CCCCCCCn1c([C@@H]2CC(=O)N(c3cc(OC)ccc3OC)C2)nc2ccccc21 102204634 KUUCDLCTBZFHQS-LJQANCHMSA-N 435.568 5.544 30 10 IKEE O=C(/C=C\c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 102728443 XNCYFTINFGSUNZ-HMWHUWSESA-N 444.486 6.589 30 10 IKEE COCCN1C(=O)/C(=C/c2ccc(Br)cc2)S/C1=N\c1ccc(C)cc1 102927207 BNHNQJQYYIGJPI-GTFONSFASA-N 431.355 5.008 30 10 IKEE COc1ccc(N/N=C/c2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)cc1 169885336 NIDZBHREMXMBKF-DHRITJCHSA-N 431.319 6.036 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2cccc(C)c2)cc1 169968842 CBZVCOUDVBBTSK-SANMLTNESA-N 449.506 5.940 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2cccs2)cc1 169989423 GBCNHMBVRGTMTB-QFIPXVFZSA-N 435.520 5.271 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@@H]2c2ccccn2)c1 169992207 IWTQPHYSQZWSHD-XMMPIXPASA-N 440.543 5.779 30 10 IKEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2)cc1 170055654 WXORFELJVMVGOX-HSZRJFAPSA-N 431.463 5.003 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccc(F)cc2)cc1 170062076 CGJJRPFOWRYXAR-NRFANRHFSA-N 437.854 5.271 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(F)cc2)cc1C 170062416 XWLPHSDJQXUTDE-DEOSSOPVSA-N 441.458 5.972 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccc(Cl)cc2)[C@H]1c1ccco1)c1c[nH]c2ccccc12 170096608 OVBYQIQPVZWAEU-QFIPXVFZSA-N 446.890 5.235 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccs2)c1 170156642 WVKUCAJNDBUNJO-HXUWFJFHSA-N 439.920 5.501 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccccn2)ccc1Cl 170172650 AWCICQDLDQTEBW-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccc2)ccc1Cl 170222615 VMMZQNBVIHEYQS-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccccc1F)c1cccc2ccccc12 170251354 NZMZUFGMGQMFJQ-XMMPIXPASA-N 438.458 5.152 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2F)cc1C 170253666 YKCKWYWFLFZFAU-HSZRJFAPSA-N 437.511 5.444 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccco2)c1 170280914 VVLCSBKDIZOOHJ-QHCPKHFHSA-N 431.488 5.585 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(C)c4)[C@@H]3c3ccco3)oc12 170283122 LWPVKDIMKMSYNM-OAQYLSRUSA-N 429.428 5.126 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccc(C)o2)c(C)c1 170301612 OYBAXBGBIBTXKZ-HSZRJFAPSA-N 431.488 5.305 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(F)ccc2F)o1 170306194 AZGYMKIDFAODPU-IBGZPJMESA-N 429.806 5.303 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2sccc2C)cc1OC 170314217 YMDQKRSHBGPKDW-NRFANRHFSA-N 449.528 5.165 30 10 IKEE C=CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccc2ccccc2c1 253577442 XBRSFRURIVLKRA-UHFFFAOYSA-N 430.533 5.024 30 10 IKEE CCOc1cc(/C=C2\C(=O)C(=O)c3ccccc32)cc(N=Nc2cccc([N+](=O)[O-])c2)c1O 254747065 QUUUBLZRQSTVCG-GLTBMYTGSA-N 443.415 5.421 30 10 IKEE CCCC(C#N)(CCC)C(=O)Nc1ccc(Br)c(I)c1 380396065 CAENZMRZCKXPAS-UHFFFAOYSA-N 449.130 5.102 30 10 IKEE Cc1ccc([C@@H]2C(c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)o1 526488401 NPTKXGLPHPHIQM-XMMPIXPASA-N 428.488 5.552 30 10 IKEE Oc1ccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccc(Cl)cc2)cc1 526808820 SWFVCFSAUHLENG-QQXSKIMKSA-N 448.979 5.597 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@@H](NC(=O)/C=C/c3cccc(F)c3)C2)c1 586056583 ZNKHUMXKKWUQSZ-XIQMRYHBSA-N 449.570 5.098 30 10 IKEE COc1cccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 586250716 UMCVTPRVQDUKKC-UHFFFAOYSA-N 434.561 5.260 30 10 IKEE N#Cc1ccccc1NC(=O)c1ccc(NC(=O)NC2CCCCCCCCCCC2)cc1 586612148 QDIZHHOUTBFIQX-UHFFFAOYSA-N 446.595 6.605 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@@H]2CCCCN2C(=O)OC(C)(C)C)c1 698470842 WCNYNGJASFXOAN-NBGIEHNGSA-N 443.588 5.808 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)c1 698471449 UDJHKZHPUCOKRS-KOSHJBKYSA-N 429.561 5.276 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 698900303 DYIFCAJVKFWUDB-HJPURHCSSA-N 449.979 5.621 30 10 IKEE C=CCC[C@@H](NCCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 708553519 WEYVVUUUOOXGIZ-RTBURBONSA-N 425.411 5.219 30 10 IKEE COc1ccc(Br)c(CC2(C#N)C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)c1 712803730 BSXJMGWCQICMEB-GWTOYCKXSA-N 435.362 5.072 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCC[C@H](CNC(=O)OC(C)(C)C)C2)c1 724092071 WUUSXLWCYOBLSG-DFBJGRDBSA-N 443.588 5.714 30 10 IKEE CCC(=NNc1nc(SCCC(=O)Nc2cccc3ccccc23)n[nH]1)c1ccccc1 1083984800 WCHJTRMYHGMFRP-UHFFFAOYSA-N 444.564 5.305 30 10 IKEE CC(C)c1nnc([C@H](C)Sc2n[nH]c(NN=Cc3cccc(Oc4ccccc4)c3)n2)o1 1084613029 LLIBMMIJVIZAFQ-HNNXBMFYSA-N 449.540 5.403 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)SC1=Nc1ccccn1 1772731834 QZECYMVASURYJZ-SKYIDQJDSA-N 446.488 5.348 30 10 IKEE O=C1/C(=C/c2cccc([N+](=O)[O-])c2)SC(=Nc2cccnc2Cl)N1c1ccccc1 1772731848 BBKDYTMYTJAMJG-SDWZUDADSA-N 436.880 5.452 30 10 IKEE O=C1/C(=C\C(Cl)=C/c2ccccc2)SC(=Nc2nccs2)N1C1CCCCC1 1772732975 GFUPSPWZRYUOGA-FLPJGPBPSA-N 429.998 6.203 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=Nc1cccc(C(=O)O)c1 1772733951 DJOOOLQPFVEPRT-HJTUMBPSSA-N 433.316 5.482 30 10 IKEE C=CCN=c1cc(-c2cc3cnccc3c(NCc3cccc(C(F)(F)F)c3)n2)cc[nH]1 1857828612 VEUKEHRRQHVILO-UHFFFAOYSA-N 435.453 5.343 30 10 IKEE N#Cc1ccc(NC(=O)c2cc(-c3cccc4ccccc34)n(Cc3ccccc3F)n2)cc1 1859392661 FOEPJUVQBXOROV-UHFFFAOYSA-N 446.485 6.015 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)COc1ccc(C)cc1C(C)(C)C 1861625931 KZAJBEHNNMSYIL-QHCPKHFHSA-N 446.676 5.823 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc2[nH]c(-c3ccc(C(C)(C)C)cc3)nc2c1 1861875656 WBCCCAYLRJUUEO-UHFFFAOYSA-N 433.640 7.398 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccccc2)cc1C 1862401349 ZBJHXWPOZZAVCS-UUOWRZLLSA-N 427.500 5.343 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCc2cccs2)cc1 1862441316 FNDZTKMSNNGHLL-NRFANRHFSA-N 437.948 5.531 30 10 IKEE CCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc(O)c1 1862475911 XGQUJUUDJXBCSY-VWLOTQADSA-N 449.591 6.420 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(C)cc2)cc1 1862514922 NIJSNROIZUGNES-RUZDIDTESA-N 447.575 6.085 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(N)c2)=C(O)C(=O)N1Cc1cccc(Cl)c1 1862554699 IYPPMYPQUUMGNU-QFIPXVFZSA-N 432.907 5.009 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CC(C)C)cc1 1862599912 MZXURUGKPBSSIN-HSZRJFAPSA-N 437.536 5.196 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(O)c(O)c1 1862617895 KYTXLKQRXCNTHJ-QFIPXVFZSA-N 437.536 5.020 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 1862619025 MBEXJAMZHJVMTO-OAQYLSRUSA-N 436.508 5.271 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(C(F)(F)F)cc1 1862655369 HDSKBZNFFSRHHK-HXUWFJFHSA-N 425.406 5.457 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(N(CC)CC)cc1 1862667836 LAYZYONMTIRDGI-KBMIEXCESA-N 448.607 6.033 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cc(Cl)cc(Cl)c1 1862668118 QYSWBEQWVGQSIH-SPLOXXLWSA-N 446.374 6.494 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc3cc[nH]c3c2)c1 1862679071 UQAXGQNPYPZVFE-DEOSSOPVSA-N 440.474 5.394 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccc2ccccc12 1862756214 JVPONUFHRDRJTD-NYHFZMIOSA-N 430.460 5.125 30 10 IKEE Cc1cc(C2=C(Nc3cccc(Cl)c3C)C(=O)N(c3cccc(C#N)c3)C2=O)ccc1F 1863095240 NBBUBRZFNPBZOH-UHFFFAOYSA-N 445.881 5.364 30 10 IKEE C=CCN1C(=O)C(Nc2cccc(N(CCC)CCC)c2)=C(c2ccc(OCC)cc2)C1=O 1863214014 JHKHEOOFUDAGTP-UHFFFAOYSA-N 447.579 5.090 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(OC)cc2)C(=O)N(C2CCCC2)C1=O 1863667304 CHACSSMPILQEBX-UHFFFAOYSA-N 426.601 5.448 30 10 IKEE CCCCCCCCNC1=C(c2cc(C)ccc2C)C(=O)N(Cc2cccc(C)c2)C1=O 1863746611 YRGQLVWNTIAAFW-UHFFFAOYSA-N 432.608 5.842 30 10 IKEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CCC)[C@@H]1c1cccc(C)c1 1864853818 NGZQNTLRNLTELU-QFIPXVFZSA-N 438.616 5.081 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(CC)cc2)cn1Cc1ccc(C)cc1 1870466357 GMVSWKDIIZENLJ-UHFFFAOYSA-N 442.603 5.520 30 10 IKEE CCCCCCCOc1cn(CCCC)c(CNc2cccc(C(F)(F)F)c2)cc1=O 1870832242 UOTRQWMKVYVNNG-UHFFFAOYSA-N 438.534 6.629 30 10 IKEE C#CCOc1cn(Cc2ccc(Cl)cc2)c(CNc2ccc(N(CC)CC)cc2)cc1=O 1871010298 HQLNACUAASJLTB-UHFFFAOYSA-N 449.982 5.020 30 10 IKEE CCCCc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCCC)cc1 1871251327 YLFDMEUKTNYIFQ-UHFFFAOYSA-N 443.591 6.054 30 10 IKEE CCn1cc(/C=C2\Oc3c(ccc4c3CN([C@H]3CCCC[C@@H]3C)CO4)C2=O)c2ccccc21 1871351335 VUHFDPMBDMOUEU-CHWLLUQGSA-N 442.559 6.008 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(C(C)C)cc1)C3=O)CN(CCC1=CCCCC1)CO2 1871355158 VAZNDPBCPRVFCZ-YSMPRRRNSA-N 443.587 6.777 30 10 IKEE COc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN([C@@H]3CCCC[C@@H]3C)C4)C2=O)cc1OC 1871355674 GDWZXYZRAFXVGS-SEWLPPHFSA-N 449.547 5.359 30 10 IKEE CCOCCCN1COc2c(cc3c(c2C)O/C(=C\c2ccc(Cl)c(Cl)c2)C3=O)C1 1871356213 ZGMZXMPYNWNKAV-JMIUGGIZSA-N 448.346 5.497 30 10 IKEE C=CCOc1ccc(C(=O)Nc2ccc3c(C)c(C(=O)c4ccc(C)cc4)oc3c2)cc1 1871358449 LMSCQKVKTWHEAS-UHFFFAOYSA-N 425.484 6.098 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2C)C3=O)CC1 1871382673 AZRKROUNWPHNQR-UQQQWYQISA-N 432.560 6.822 30 10 IKEE CC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)c1 1871390400 UTSVUVCUNWKSGO-JJFYIABZSA-N 448.858 5.409 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(CN4C[C@@H](C)C[C@@H](C)C4)c(O)cc(C)c3C2=O)cc1 1871396604 OOPRDDMVEAWXSX-ZOLBUAMYSA-N 448.607 5.641 30 10 IKEE Cc1c(OCCOc2cccc3ccccc23)ccc2c1O/C(=C\c1ccc(F)cc1)C2=O 1871415542 HRMVVUDNGKENCW-ONUIUJJFSA-N 440.470 6.361 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(Cl)cc2)cc2c1C(=O)/C(=C/c1cccc(F)c1)O2 1871440781 HXGOATPGCNIIHF-NHDPSOOVSA-N 437.854 5.421 30 10 IKEE CCN(CC)CCOc1ccc2c(c1C)O/C(=C\c1cccc(Br)c1)C2=O 1871452017 ZEYUGAQTUMSOGU-ZHZULCJRSA-N 430.342 5.094 30 10 IKEE C=CCN=c1nc(Nc2ccc(C(C)C)cc2)[nH]c(N2CCC(Cc3ccccc3)CC2)n1 1871505261 VDZTXSURACUAMU-UHFFFAOYSA-N 442.611 5.218 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)c1ccccc1)S(=O)(=O)C1CC1 1872016082 NGZCZRLCDYVQPG-HSZRJFAPSA-N 440.609 5.034 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(Cl)c(C)c1)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872314707 FGBOYTMAUJPRGO-VGSWGCGISA-N 449.016 5.187 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1C(C)C)C(C)C)S(=O)(=O)c1ccccc1 1872439470 VBOBKANHVHVBBV-HSZRJFAPSA-N 428.598 5.040 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cc(C)ccc1C)C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1872550673 ZUPDNRIDUAKHRH-QFIPXVFZSA-N 449.016 5.187 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4nc(C)c(C)nc4c3)n2)cc1 1872767838 BBHUZNWXLDVNEO-IBGZPJMESA-N 428.517 5.259 30 10 IKEE Cc1ccc(C)c(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(Cl)c(Cl)c3)n2)c1 1872772134 KQWJLSCYWIPWIL-DBWMJRBXSA-N 427.356 6.623 30 10 IKEE N#C[C@H](C(=O)CCCOc1ccccc1Cl)c1nc(-c2ccc3c(c2)OCO3)cs1 1872773810 YTCSIZPHANVBOB-OAHLLOKOSA-N 440.908 5.228 30 10 IKEE CCCCCCCCNC1=C(c2cc(F)cc(F)c2)C(=O)N([C@H]2CCCC[C@@H]2C)C1=O 1873113723 ZSEIOPVVYMZSMP-UWJYYQICSA-N 432.555 5.574 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C(C)(C)C)cc2)cc2c(NCc3ccco3)ncnc21 1873623518 HFHZWIPIMOZCJB-UHFFFAOYSA-N 429.524 5.372 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)c(F)c2)cc2c(NCCC3=CCCCC3)ncnc21 1873639490 VUYRDEQPRVKMOJ-UHFFFAOYSA-N 433.531 5.620 30 10 IKEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3ccccc3C(C)(C)C)c(=O)oc2c1 1873914230 AEZCABVLMMKSIO-UHFFFAOYSA-N 433.548 5.925 30 10 IKEE CCSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(CC)cc1 1874204461 DBKJZQXHLNTWGI-FSJBWODESA-N 435.380 5.721 30 10 IKEE CCCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1ccc(Cl)cc1 1874247501 HYDLYWVSSCJOEU-LFVJCYFKSA-N 428.989 5.636 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccc(CC)cc1 1874266661 IEZWHHMQJPIRMS-ZMOGYAJESA-N 426.973 5.623 30 10 IKEE C=CCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc(OCCC)cc1 1874279856 UORQDTHUXOYIJL-KOEQRZSOSA-N 441.000 5.666 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3C)n2/N=C/c2cccnc2)cc1C 1874329010 REOBIGQZZFUIGG-OGLMXYFKSA-N 441.604 5.558 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3Cl)n2/N=C/c2ccccc2)cc1 1874349525 QFEKGEWPCJYJKF-WGOQTCKBSA-N 448.979 5.705 30 10 IKEE CCCSc1nnc(CCc2cccs2)n1/N=C/c1ccc(Cl)cc1Cl 1874371978 BCJXEMSSTBRZLP-CIAFOILYSA-N 425.410 5.816 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCC)cc1 1874380058 FMCBHOXHQVFRNB-KOEQRZSOSA-N 426.561 5.571 30 10 IKEE Cc1ccc(/C=N/n2c(Cc3ccc(C)cc3)nnc2SCc2ccc(F)cc2)cc1 1874388493 OSHSZJHZTIZAQZ-JVWAILMASA-N 430.552 5.799 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2/N=C/c2cccn2C)cc1 1874391058 RLAOYNVDSISGRY-MFKUBSTISA-N 435.984 5.344 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2F)n1/N=C/c1cccc(F)c1 1874395508 OIGILDQSAYPIKI-JEWIKEISSA-N 434.515 5.883 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2Cl)n1/N=C/c1ccccc1 1874395913 YKEDEJBUBBMTAM-PMFZIYJTSA-N 432.980 6.258 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2cc(Cl)ccc2O)c1 1874415927 OEZOTIJJDKONJS-CVKSISIWSA-N 448.979 5.711 30 10 IKEE CCOc1cccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2cccc(F)c2)c1 1874417494 LYZRWSZDKRFDSJ-WPWMEQJKSA-N 446.551 5.581 30 10 IKEE Oc1ccccc1/C=N/n1c(SCc2c(F)cccc2Cl)nnc1-c1ccccc1 1874429764 AJXOQEKYZGAPIO-DHRITJCHSA-N 438.915 5.618 30 10 IKEE COc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccccc2Cl)c1O 1874439807 UDTZMRFLUOQGKE-ZMOGYAJESA-N 444.988 5.409 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2cccs2)c1 1874451715 MQCYGOKVGBRSDX-YDZHTSKRSA-N 439.610 5.227 30 10 IKEE COc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C(F)(F)F)cc1 1874463397 HLRQDURETMKCEM-PGGKNCGUSA-N 444.841 5.273 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CCC2)cc1O 1874497308 DVILCIGGUNOTPR-AUEPDCJTSA-N 449.363 5.438 30 10 IKEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3cccc(C)c3C)nnc2C(C)C)cc1 1874509953 DJHKIYUGEFWUCA-AFUMVMLFSA-N 435.597 5.194 30 10 IKEE CCOc1cc(/C=N/n2c(SCc3ccccc3Cl)nnc2C(C)C)ccc1O 1874514450 YJAOVLPGIXQWQP-FSJBWODESA-N 430.961 5.334 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(C)nnc1SCc1ccc(Cl)cc1Cl 1874535642 PYDLLBBNKSWPPF-FSJBWODESA-N 433.364 5.633 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(Cl)cc(OC)c1OCc1ccc(F)cc1 1874581370 KNTGTPFFLOEMPS-JXMROGBWSA-N 440.898 6.280 30 10 IKEE C=CCOc1ccc(Br)cc1/C=C/C(=O)c1cc(OCC)ccc1OCC 1874585819 GZJGPEMUHJBHEO-JXMROGBWSA-N 431.326 5.707 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)c1OCc1ccccc1 1874586937 MIJLXTAXDNJKHS-VAWYXSNFSA-N 443.326 6.486 30 10 IKEE CCCOc1c(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc(Br)cc1OC 1874591277 BWVOHKLHHNFVIE-QPJJXVBHSA-N 444.152 6.449 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Cl)c1OCc1ccccc1F 1874609074 WJQDPLBVPVWUOS-VAWYXSNFSA-N 445.317 7.006 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1 1874614863 UNZMMRYQUKIZNA-BUHFOSPRSA-N 435.907 5.652 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2[N+](=O)[O-])cc1 1874617680 OLTCZZGFWGVHGC-KPKJPENVSA-N 444.487 5.434 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3cc(C)ccc3C)c([N+](=O)[O-])c2)c(OC)c1 1874632605 LTWQFCQYPSLOHV-YRNVUSSQSA-N 447.487 5.704 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1cccc(/C=C/C(=O)c2ccc3ccccc3c2)c1 1874692397 DWZMVWMEPDDESK-DTQAZKPQSA-N 438.479 5.972 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2cccc(/C=C/C(=O)c3cc(C)ccc3OC)c2)c1 1874704745 YQYOKQSCZSGRKN-MDZDMXLPSA-N 432.472 5.136 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OC(=O)CCCOc1ccc(C)cc1 1874710376 ZECRFDWRGVUBTA-VIZOYTHASA-N 448.490 5.803 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc1OC(=O)C1CCCC1 1874715632 YANVYJHLYBVHHE-CSKARUKUSA-N 428.912 5.657 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(C)cc2C)CSc2nnc(C(C)C)n21 1874858312 WWXWZFCCSNMMQB-OAQYLSRUSA-N 428.646 6.081 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)cc3)cc2)cc1 1875113074 VOSUPDYMASHIKT-GIJQJNRQSA-N 430.500 5.528 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1 1875114615 YCFGRFDWQVXLNP-VZUCSPMQSA-N 437.835 5.372 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)cc2F)cc1)c1ccc(Cl)c(Cl)c1 1875135587 XZKPPILHDFRIHU-XCVCLJGOSA-N 433.237 6.387 30 10 IKEE COc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1 1875149129 ZZTPOUSNVPBKGH-WOJGMQOQSA-N 444.527 5.873 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)c1ccccc1OC 1875159028 YRQCKRSTCCARCM-XNTDXEJSSA-N 446.474 5.687 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccs3)cc2)cc1 1875159319 MWZZNHJURLNMRI-WOJGMQOQSA-N 448.584 7.213 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(OC)cc2OC)cc1OCC 1875176278 FTWDAVGWRRAYPO-FMIVXFBMSA-N 446.927 5.748 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2OC)cc1OC 1875178830 FBRYWRLCGNPTGE-YRNVUSSQSA-N 446.499 5.445 30 10 IKEE CC#CCC[C@H](NCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875651370 QBWIXNBMOIMSGB-LITSAYRRSA-N 443.587 5.660 30 10 IKEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)Nc2cccc3ccccc23)CC1 1891861978 WVVTVVATEUDPDU-UHFFFAOYSA-N 428.517 5.283 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C12CC2 1925721589 LZBXMZRCKOQLGR-QHCPKHFHSA-N 447.963 5.517 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CN(C(=O)OC(C)(C)C)CC2(C)C)c1 1996504102 HVWGLXAOUUZMFA-DEOSSOPVSA-N 429.561 5.276 30 10 IKEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 1999944599 ORXLNEYORNMAMJ-QMHKHESXSA-N 433.524 5.106 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2016232137 ZIWIOZZFGARWOE-HOYKHHGWSA-N 435.609 5.486 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@H](C#N)[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2017957700 ZFDXPGQAYDBAIF-IEBWSBKVSA-N 435.609 5.484 30 10 IKEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccc(NC(=O)OC(C)(C)C)cc1 2031668033 VYYCKCFIMSLRPT-FQEVSTJZSA-N 446.592 5.177 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)c1 2077947424 HDPJAEUMBRQGMF-UXHICEINSA-N 443.588 5.664 30 10 IKEE CCc1cc(Br)c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)s1 2089743718 OKKRMXIONQWQKZ-MRXNPFEDSA-N 439.350 6.218 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)ccc(Br)c1F 2145529109 PKUIYDIIHRTTND-YJBOKZPZSA-N 445.348 5.075 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](CNc2cc(Br)c(C#N)cc2F)CC12CC2 2172017957 YIEURXMXWMLHNA-CYBMUJFWSA-N 438.341 5.051 30 10 IKEE CCN(c1cc(Br)ccc1C#N)[C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 2174807635 DYXHOOIWHDDTTC-WMZOPIPTSA-N 436.394 5.231 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc2c(c1)N(c1ccc(Br)cc1C#N)CCC2 2174809727 DCUAQHVFLNXLLD-UHFFFAOYSA-N 428.330 5.752 30 10 IKEE C=CCCCCCCCC[C@H](N)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2207424511 GDVQNROPABJKIR-FQEVSTJZSA-N 439.438 7.103 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C1 2214838219 PKBPMTONTFRIDI-MFEFFIJZSA-N 449.617 5.413 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](C[C@@H](O)C#Cc1ccccc1Br)C1CCCCC1 2235740218 NJSQZSYMOWTXEL-ICSRJNTNSA-N 436.390 5.025 30 10 IKEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N(Cc2ccccc2)[C@@H](C)c2cccs2)C1 2247553399 GWHZKLRXYOMJHH-ONSGGECDSA-N 438.593 5.145 30 10 IKEE C=C(C)CCCC[C@@H](NCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2250128152 FOAPKCNZUMYDPQ-ZEQKJWHPSA-N 429.649 5.270 30 10 IKEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccccc2)cc1 2296102852 CULBWZKLZZUWJE-QFIPXVFZSA-N 440.524 5.539 30 10 IKEE SCC1(CSc2cc(I)ccc2Br)CCCC1 2300804979 IIWIVWFIRYIGHN-UHFFFAOYSA-N 443.213 5.636 30 10 IKEE Cc1ccc(N=C2NC(=O)SC2=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1C 2314480910 VIEOQUWFOOEJHC-UHFFFAOYSA-N 443.355 7.398 30 10 IKEE COc1ccccc1C=C1SC(=Nc2ccncc2Cl)N(C2CCCCC2)C1=O 2314542430 LGMCVDLFLUIGOF-UHFFFAOYSA-N 427.957 5.680 30 10 IKEE C=C(C)CCCC[S@](=N)(=O)c1cc(I)ccc1Br 2316463232 ZNXDZWNNUAGDJF-SFHVURJKSA-N 442.160 5.206 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)c1 2318876541 OMHBISLBFPEZPT-XUVXKRRUSA-N 445.560 5.022 30 10 IKEE CSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1N=Cc1cc(C)ccc1O 2321395618 ZWNWEIZYZVIPIB-UHFFFAOYSA-N 444.988 5.178 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1N=Cc1c(C(=O)O)[nH]c2ccc(C)cc12 2321779803 RYTXWMAOGOIUST-UHFFFAOYSA-N 447.564 5.201 30 10 IKEE Sc1nnc([C@H]2CCCO2)n1N=Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1 2321935041 VADAALRDBZCXNX-GOSISDBHSA-N 449.363 5.186 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccccc1F)O3)CN(CCCc1ccccc1)CO2 2322214481 ARKLFYVXBVXGBA-UHFFFAOYSA-N 429.491 5.535 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1cccs1)C3=O)CN(CCc1ccc(Cl)cc1)CO2 2322286516 BDQIGJHKHJWVBH-UHFFFAOYSA-N 437.948 5.721 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCCc2ccccc2)cc1C 2322415698 CWQNHWVEZDQOSQ-UHFFFAOYSA-N 436.935 6.183 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2cccc(C)c2)cc1 2322565347 GOMZTNSATIZLLU-UHFFFAOYSA-N 445.515 5.316 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(F)c(F)c2)c1OCC(=O)OCC(C)C 2322781514 ZRBZNABAIGHEJG-UHFFFAOYSA-N 438.854 5.101 30 10 IKEE Cn1cc(C=C2Oc3cc(OC(=O)c4cc5ccccc5o4)ccc3C2=O)c2ccccc21 2322842659 KEZQKQKKPZPCHJ-UHFFFAOYSA-N 435.435 5.760 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccccc1OCC(=O)Nc1ccc(F)cc1 2322845619 CXOZCJXWOOSNOO-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccccc1OCC(=O)NC1CCCCC1 2322952889 ZVIXKMMLKLVYJU-UHFFFAOYSA-N 433.592 6.016 30 10 IKEE Cc1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2323060665 BLHMXZASMUKTNG-UHFFFAOYSA-N 430.887 6.192 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cc(C)cc(C)c3)c(Cl)c2)c1 2323486984 VSVBCNWUQSHOMW-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OC(=O)c3ccc(-n4cccc4)cc3)c2C)C1=O 2323676243 AWEOVYOCXMCGHE-UHFFFAOYSA-N 435.479 5.930 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OCc2nc(O)c3ccccc3n2)cc1 2323987233 GANAPATUTIUNPQ-UHFFFAOYSA-N 426.472 5.128 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OCc3ccccc3F)c(Cl)c2)c1 2324017476 VMPDMUWWJYNVOY-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(OC)c1OCC(=O)OCC(C)C 2324261154 MCACJUZRARBLCR-UHFFFAOYSA-N 444.474 5.176 30 10 IKEE COc1ccccc1-c1csc([C@@H](C#N)C(=O)C=Cc2ccc(Cl)c(Cl)c2)n1 2324455640 ZYSJVEYRLJDAGR-HNNXBMFYSA-N 429.328 6.015 30 10 IKEE CCc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccc(CC)cc4)ccc3C2=O)cc1 2324478101 RRSKFLKPVKMYQD-SFHVURJKSA-N 441.527 5.834 30 10 IKEE Cc1cc(C)c(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(C(C)(C)C)cc3)n2)c(C)c1 2324787754 NNIVUYRRXYJSOF-QFIPXVFZSA-N 428.601 6.923 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc([N+](=O)[O-])cc3)n2)cc1C 2324825857 OWBQSVGECMSZNI-IBGZPJMESA-N 433.489 5.233 30 10 IKEE CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2sccc2C)C3=O)c1 2324825864 QXMMXVCRTOLXGX-MRXNPFEDSA-N 447.512 5.281 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OCC(=O)OCC(C)C)cc(C)c3C2=O)cc1 2325068750 HCCIWJGRVHISIJ-UHFFFAOYSA-N 437.536 5.035 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(-n3cccc3)cc2)c1)c1ccc2c(c1)CCCC2 2325701952 LWZROEWVRMQQFY-UHFFFAOYSA-N 447.534 6.471 30 10 IKEE CCc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccc(OC)cc2)C3=O)cc1 2325722520 GCTXTWNARLWXFK-UHFFFAOYSA-N 443.499 5.200 30 10 IKEE Cc1cc(C)c(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2C)C3=O)c(C)c1 2325736987 DAYLLXUKMPIUAB-UHFFFAOYSA-N 441.527 5.862 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(C(F)(F)F)cc2)c1)c1ccc2c(c1)OCO2 2325747680 HEAQUNKKZCWHJW-UHFFFAOYSA-N 440.373 5.549 30 10 IKEE Fc1ccc(CSc2nnc(COc3ccc(Cl)cc3)n2N=Cc2ccco2)cc1 2327521182 LHLXRWCANJFGGJ-UHFFFAOYSA-N 442.903 5.417 30 10 IKEE CCCCC1CCC(c2nnc(SCC(=O)OC)n2N=Cc2ccccc2C)CC1 2328179209 CDMPRMBSLBDLJD-UHFFFAOYSA-N 428.602 5.198 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1cccn1C 2329077001 BNWCJLBYMKWTTC-UHFFFAOYSA-N 435.984 5.344 30 10 IKEE Cc1ccccc1CCc1nnc(SCCc2ccccc2)n1N=Cc1sccc1C 2329489257 PVWNDPGUYYUCEH-UHFFFAOYSA-N 446.645 5.959 30 10 IKEE Cn1cc(C=C2Oc3cc(OCC(=O)NC4CCCCCC4)ccc3C2=O)c2ccccc21 2329921992 SOJZXROUSHGDMD-UHFFFAOYSA-N 444.531 5.012 30 10 IKEE Cn1cccc1C=Nn1c(CC2CCCCC2)nnc1SCc1c(F)cccc1Cl 2330306467 LKWNBKBZDRKCMP-UHFFFAOYSA-N 445.995 5.706 30 10 IKEE Cc1ccc(C=Nn2c(SCC(=O)Nc3ccccc3C)nnc2C2CCCC2)cc1 2331047153 ZYZBVSOKKBKLSE-UHFFFAOYSA-N 433.581 5.166 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)c1sccc1C 2331081603 MBQAHCQDHDIREC-UHFFFAOYSA-N 448.874 6.112 30 10 IKEE CCCOC(=O)CSc1nnc(C2CCCC2)n1N=Cc1ccc(Cl)c(Cl)c1 2331101134 KKZWSCVLKAWBEO-UHFFFAOYSA-N 441.384 5.170 30 10 IKEE O=C(Cc1ccccc1Cl)Oc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1Cl 2331122736 BWKSAWRGQORRSQ-UHFFFAOYSA-N 445.729 6.691 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)Cc1ccc(F)c(C)c1 2331259938 VYJBHICKMZHJQP-UHFFFAOYSA-N 448.490 5.504 30 10 IKEE CCCCc1nnc(SC)n1N=Cc1c(OCc2ccccc2)ccc2ccccc12 2331312479 BBQSLJMMQYUOGF-UHFFFAOYSA-N 430.577 5.957 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Br)c1OC(=O)CC(C)C 2331325246 BMMABAOFKYXKNP-UHFFFAOYSA-N 445.353 5.922 30 10 IKEE CC(C)(C)c1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1cccc(F)c1 2331400820 ZLPSMIXFPRXTQD-UHFFFAOYSA-N 437.371 6.196 30 10 IKEE COc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C2CCC2)cc1 2331546463 SLRFQZPABZNGPJ-UHFFFAOYSA-N 430.936 5.521 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Br)c1OC(=O)C1CC1 2331711630 MBQKIYPVJUXSIT-UHFFFAOYSA-N 443.337 5.676 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(Cl)c2)ccc1OC(=O)c1ccccc1 2331834667 UBXYXGATRVFSHJ-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE C[C@@H]1CCC[C@@H](SCc2ccc(B3OC(C)(C)C(C)(C)O3)c(Br)c2)C1 2349835562 XEWBBIHRLVQNFA-GDBMZVCRSA-N 425.241 5.560 30 10 IKEE N#Cc1ccc(NCc2ccc(I)c(Br)c2)cc1Cl 2349839448 HOBDMAIMYPZAGT-UHFFFAOYSA-N 447.501 5.191 30 10 IKEE COC1(C#CC(=O)c2ccc(NC(=O)OC(C)(C)C)c(Br)c2)CCCCC1 2363730866 UEISKGGJBQEJAB-UHFFFAOYSA-N 436.346 5.332 30 10 IKEE CC[C@@H](NCc1cc(Br)cs1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363843291 GVJSHTABNUETNL-GOSISDBHSA-N 436.224 5.051 30 10 IKEE CCN(c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C1CCN(Cc2ccccc2)CC1 2365063204 WGHHPERWLGSQTL-UHFFFAOYSA-N 447.432 5.217 30 10 IKEE CC(C)(C)OC(=O)N[C@]1(C)C[C@H]2CC[C@H]1C[C@]2(C#N)Nc1ccccc1Br 2381198506 VWIIMMUZDQMLKE-REABXYAWSA-N 434.378 5.227 30 10 IKEE CC(C)(C#Cc1ccc([C@H]2SCCN2C(=S)Nc2ccc(Cl)cc2)s1)CO 2727540 NZHMPFVKDZOPRQ-GOSISDBHSA-N 437.055 5.216 30 10 IKEE Cc1ccc(Cn2cccc2/C=N/NC(=S)Nc2ccc(Oc3ccccc3)cc2)cc1 3048682 OWRXFAMGCNKZHU-OVVQPSECSA-N 440.572 5.958 30 10 IKEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(Cl)cccc1Cl)N2 14546785 YINVJIVHPQUNSK-LRAJWGHMSA-N 435.376 5.284 30 10 IKEE COc1ccc(/C=C2/S/C(=N/Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1C 19860338 BAQGGTWHWFIMHJ-PHSRYYMBSA-N 428.557 5.676 30 10 IKEE COc1cc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)cc2)ccc1OC(C)C 20885267 RPFKJBOOWOXXLI-IEBWSBKVSA-N 439.939 5.140 30 10 IKEE CCc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(OC(C)C)c(OC)c2)cc1 21233394 GVJGURVCOILTGX-SFTDATJTSA-N 433.548 5.049 30 10 IKEE COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)ccc1O 21247577 ZKTIAAKGVWHPFA-QUGAMOGWSA-N 446.934 6.034 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O)c1ccc(Br)cc1 33367811 KKKQHPNQLPQHRV-JAIQZWGSSA-N 439.236 5.424 30 10 IKEE Cc1nn(-c2ccccc2)c2c1/C(=N/OC(=O)[C@@]13CC[C@@](C)(C(=O)C1)C3(C)C)CC(C)(C)C2 39853050 CMOWXOUPDNJGPV-YLLUVWKBSA-N 447.579 5.186 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1ccc(C(C)C)cc1 40096099 OLUXTXRATKJXQD-OSPHWJPCSA-N 433.548 5.512 30 10 IKEE C=CCc1ccc(OCCn2c(COc3ccc(CC)cc3)nc3ccccc32)c(OC)c1 40235074 VCSODLOKUKXVIW-UHFFFAOYSA-N 442.559 5.994 30 10 IKEE CN1CCc2nc(SCc3ccc(Cl)cc3)c(C#N)c(-c3ccccc3Cl)c2C1 40570044 FXRMSLWDWGAAHR-UHFFFAOYSA-N 440.399 6.207 30 10 IKEE C=CCNc1ncnc(Nc2cc(Cl)c([C@@H](C#N)c3ccc(Cl)cc3)cc2C)c1N 40688627 OWRYUXQMYRECNC-KRWDZBQOSA-N 439.350 5.671 30 10 IKEE Cc1cc(OCc2ccc([N+](=O)[O-])cc2)cc2c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O2 41501606 YQGORZXXFOZZNK-CFRMEGHHSA-N 429.472 6.222 30 10 IKEE COc1ccccc1CN1COc2c(cc3c(c2C)O/C(=C\c2cccc(C)c2)C3=O)C1 41587859 WTJGZYNDRNZPAD-MSXFZWOLSA-N 427.500 5.280 30 10 IKEE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CSCc1cccc(C#N)c1 96549417 LQMLJMUHXOCHIM-UHFFFAOYSA-N 436.558 5.335 30 10 IKEE CCCCCCCOc1cccc(NC(=S)NC(=O)c2cc(Cl)cc(Cl)c2)c1 100246854 LQEMMSYIQUPPCU-UHFFFAOYSA-N 439.408 6.469 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1ccccc1Br 100443595 HZFIFIMMLDPCGM-UHFFFAOYSA-N 441.479 6.963 30 10 IKEE CCCCCCCOc1c(Cl)cc(C(=O)Nc2ccccc2C(=O)OC)cc1Cl 101138351 NAILDTTVZUZBQE-UHFFFAOYSA-N 438.351 6.382 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)cc2Br)c(C)c2cc(C(C)C)ccc21 169870324 YIPITENWSZGTRC-UHFFFAOYSA-N 425.370 6.582 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2cccc(OC)c2)cc1 169933107 MABPHJKVUJUXQE-RUZDIDTESA-N 441.527 5.657 30 10 IKEE CCCCOc1ccc(/C=N\Nc2nc(-c3c(C)cc(C)cc3C)cs2)cc1OCC 169941724 DCUHBDIDOSVRRI-YSMPRRRNSA-N 437.609 6.759 30 10 IKEE Cc1ccc(COc2ccccc2/C=N\Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 169942134 WSFPTSLKIXMULF-WGARJPEWSA-N 433.964 6.797 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2cc(F)ccc2F)c1 169971519 AKWFRMQKVZJDLI-QHCPKHFHSA-N 444.437 5.537 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1cccs1 169985251 LDBKWPWJWLHBHQ-IBGZPJMESA-N 425.893 5.193 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(F)cc2)cc1 170061610 PDEPFQCBVMZZLB-DEOSSOPVSA-N 445.490 5.488 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2cccc(O)c2)cc1 170080605 YKVSQUCEPKVNHW-DEOSSOPVSA-N 427.500 5.354 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccccc2C)cc1 170088072 PBXHQYBPNQFCSX-QHCPKHFHSA-N 433.454 5.619 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2)c1 170227061 LAXCNTPAGQUSDW-HSZRJFAPSA-N 447.918 5.830 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2)[C@@H]1c1c[nH]c2ccccc12 170256101 IVILBNRSZUZIOJ-QHCPKHFHSA-N 432.520 5.335 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccco2)cc1Cl 170281964 IMPKHTMOUUULTM-LJQANCHMSA-N 445.805 5.003 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccco2)cc1 170282038 UBNVTTOQGCDYDL-OAQYLSRUSA-N 439.414 5.128 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(Cl)c4)[C@@H]3c3ccco3)oc12 170287083 IHQGQLGLTAJWBA-HXUWFJFHSA-N 449.846 5.471 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(CC)cc2)c1 170389790 BATKEDPQLHXKLA-QHCPKHFHSA-N 447.556 5.882 30 10 IKEE COc1ccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cccc(OC(F)(F)F)c2)cc1 170426184 VCZWVVLPLLCUQU-GOSISDBHSA-N 449.425 5.109 30 10 IKEE Brc1cccc(-c2nc3cc(N=C/C=C\c4ccc5c(c4)OCO5)ccc3o2)c1 252624253 PKDUHMHSMTVTIK-TVXPHXSHSA-N 447.288 6.402 30 10 IKEE C=CCn1c(S[C@@H](C)C(=O)Nc2c(Cl)cccc2Cl)nc2ccccc2c1=O 253490667 JRFWGWTVTLXVRB-LBPRGKRZSA-N 434.348 5.009 30 10 IKEE CCCC[C@H](CC)OC(=O)CSc1nnc(N/N=C/c2ccc(Cl)cc2Cl)[nH]1 253568027 KTMBWSMEZGULQS-MNUWJXFPSA-N 444.388 5.162 30 10 IKEE COc1ccccc1CON=C(C)c1cc(-c2ccc(F)cc2)n(-c2ccc(C)cc2)c1C 254297890 WVUADNQOHKRPOS-UHFFFAOYSA-N 442.534 6.850 30 10 IKEE CN1[C@H](c2ccccc2)C[C@H](/N=C/c2ccccc2)[C@H](c2ccccc2)[C@H]1c1ccccc1 254812737 VOXJOUOUCQMCPD-HPGCFSAOSA-N 430.595 7.076 30 10 IKEE N#C[C@@H](CNc1c(Br)cc(Br)cc1Br)C1CCC1 397176499 FOQASZHAMYNGBC-VIFPVBQESA-N 436.973 5.326 30 10 IKEE COc1ccc([C@H]2C(c3cccc4ccccc34)=C(O)C(=O)N2c2ccccc2C#N)cc1O 526610747 PPONJIPIFAMQMY-SANMLTNESA-N 448.478 5.483 30 10 IKEE CCCCCOc1ccc(/C=N\n2c(C)nnc2SCc2ccc(Cl)cc2)cc1 526806399 FZVJVJLGPPCDQY-IWIPYMOSSA-N 428.989 5.983 30 10 IKEE CCc1nnc(SCc2ccc(Br)cc2)n1/N=C\c1cccc(Cl)c1 526820895 OIYNCSBCIAPZLC-NHDPSOOVSA-N 435.778 5.431 30 10 IKEE C(=N\n1c(Cc2ccccc2)nnc1SCc1cccc2ccccc12)\c1ccccn1 526822441 ZEKINQJXPWQISE-VEILYXNESA-N 435.556 5.592 30 10 IKEE C=CCN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1 586124237 MRAQDMKKRMPDCV-UHFFFAOYSA-N 435.170 5.133 30 10 IKEE C=C(C)CN(c1ccc(N2CCCC2)cc1)S(=O)(=O)c1ccc(CCCCCC)cc1 586234236 VNBDZXUBXIWOPA-UHFFFAOYSA-N 440.653 6.181 30 10 IKEE CCCCc1ccc(N(CCCC#N)S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 586241793 RVAJLPAQFYNZPE-UHFFFAOYSA-N 425.381 5.835 30 10 IKEE CCCCCCCCC[S@](=O)[C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 586290063 UWAXLAMTZMGHAA-PWFNWSNSSA-N 425.944 6.185 30 10 IKEE CC(C)COc1ccc(NC(=O)c2ccc(NC(=O)Nc3cccc(C#N)c3)cc2)cc1 586722254 OTWHKCRBLJFVOJ-UHFFFAOYSA-N 428.492 5.489 30 10 IKEE CCCCCCCCCC[C@H](O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 705511036 LEDMFYFFSIYIIZ-XWGVYQGASA-N 435.649 6.377 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCC[C@H](NC(=O)OC(C)(C)C)C1 724027659 JKMYHYFMTVQRLM-UUOWRZLLSA-N 429.561 5.466 30 10 IKEE C=CCn1c(-c2cc(C)oc2C)nnc1N1CCC(=C2C(=O)Nc3cc(Cl)ccc32)CC1 800774152 RLJKJFNHRYAMLW-UHFFFAOYSA-N 449.942 5.000 30 10 IKEE Cc1ccc(Sc2ccc(/C=C3/SC(=Nc4ccc(Cl)cc4)NC3=O)o2)cc1 1084402851 XSUMUNULFYOXAM-LDADJPATSA-N 426.950 6.284 30 10 IKEE CC(C)(C)C/N=C(/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@H]1CCCC[C@@H]1N 1088684359 RAEQGWYZODRYHR-HOTGVXAUSA-N 438.460 5.398 30 10 IKEE Cc1ccccc1C[C@@H]1SC(=NN=Cc2c(-c3ccccc3)[nH]c3ccccc23)NC1=O 1772741907 LEGYTUHMAKZFCJ-QHCPKHFHSA-N 438.556 5.308 30 10 IKEE Cc1ccc(-c2csc3nc(-c4ccccc4)n(Cc4cccc(C#N)c4)c(=O)c23)c(C)c1 1857802233 AJIUCFNIXREFQY-UHFFFAOYSA-N 447.563 6.329 30 10 IKEE CCc1nc2c(Br)cccc2c(C(=O)Nc2sc3c(c2C#N)CCC3)c1C 1859653638 XWGGBOFCEZYNCW-UHFFFAOYSA-N 440.366 5.542 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 1861026903 QHDSADUTXZOXLQ-HSZRJFAPSA-N 439.556 5.323 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)/C=C/c1ccc(OC)cc1)[C@H](C)CC 1861078977 UPWOSYJVLMWUHX-AWDGSYNWSA-N 430.633 5.496 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)CCCOc1ccc(OC)cc1 1861716537 BYOFAZIQTVVUAA-XMMPIXPASA-N 446.632 5.102 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(C)cc2)cc1 1862390042 UNLMGZCUSCIKDN-DEOSSOPVSA-N 445.584 6.178 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@@H]2c2ccccc2)cc1C 1862396372 ANMUOIHOJYBQAV-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(C(F)(F)F)cc1 1862406323 MPCTZDFNQDTZEZ-VBKZILBWSA-N 447.453 5.399 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2ccc(C)cc2)cc1 1862413957 ONVGFGXVCIZIQT-XMMPIXPASA-N 447.481 5.614 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@@H]1c1ccccc1F)c1ccccc1Cl 1862431050 YMQYOGVLHNEVGD-HSZRJFAPSA-N 449.909 5.690 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2C2CCCC2)cc1 1862463950 MLLJDAXOFFVPIO-QFIPXVFZSA-N 443.465 5.748 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2C2CC2)cc1 1862469676 TVUGGZQWNVBYHK-FQEVSTJZSA-N 440.337 5.313 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@H]2c2ccccc2F)cc1 1862474469 NYZSLEJRECLSPG-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2cccc(Cl)c2)c1 1862491376 RIDVTSHDHIOYBC-JOCHJYFZSA-N 441.955 5.350 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(C(F)(F)F)cc2)c1 1862494391 ACGLMMUWHLPFSG-OAQYLSRUSA-N 443.465 5.843 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccccc1F)c1cccc(Br)c1 1862524202 YYINXSRYCPBZHN-IBGZPJMESA-N 444.300 5.109 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccccc2C)cc1 1862648524 DGJZOGPGICSEAG-HHHXNRCGSA-N 447.534 6.235 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1ccccc1Br)c1cccc2ccccc12 1862656811 OCCSZNLPGYYWQQ-OAQYLSRUSA-N 448.316 5.343 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cc(Cl)cc(Cl)c1 1862690121 IHJNMKCQMYYICL-HXPMCKFVSA-N 434.319 5.379 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(OCCC)cc1 1862707072 NIOBULUNKOELHV-HSZRJFAPSA-N 437.536 5.253 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1Cl 1862712385 PWMAQFCXFHYJII-QHCPKHFHSA-N 449.934 5.498 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)c1 1862747350 PUITYQGTPWBSTE-BSLALVQMSA-N 434.492 5.060 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccccc2Cl)C1=O 1863073878 AGPFLKYCQPBGNH-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE CCCCCCCCN1C(=O)C(NC2CCCC2)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863632974 MNWYLSBBRCVZFK-UHFFFAOYSA-N 437.411 5.966 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccccc2)=C(c2ccc(OC)cc2)C1=O 1863672615 YXVVRGGSAFZTJW-UHFFFAOYSA-N 448.607 5.706 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccccn2)=C(c2cccs2)C1=O 1863807814 BFYNIDCGWQANEE-UHFFFAOYSA-N 425.598 5.154 30 10 IKEE CC(C)c1nc(Nc2cccc(C#N)c2)cc(N2C[C@H](C)N(c3ccccc3)[C@@H](C)C2)n1 1868221127 FRRLXWCHOOLQFN-PMACEKPBSA-N 426.568 5.319 30 10 IKEE CCCCCCCCCCNC(=O)c1cn(CCc2c[nH]c3ccccc23)c(=O)cc1O 1870121048 KDNSAYJBLBIETG-UHFFFAOYSA-N 437.584 5.148 30 10 IKEE C=CCOc1cn(CCCOC(C)C)c(CNc2ccc(OCCCC)cc2)cc1=O 1870812318 BPDOYHFRXUVPON-UHFFFAOYSA-N 428.573 5.019 30 10 IKEE C=CCn1cc(OCc2ccc(F)cc2)c(=O)cc1CNc1ccc(OC)c(Cl)c1 1871073870 VFMXHWNTGRQVDE-UHFFFAOYSA-N 428.891 5.027 30 10 IKEE CCOc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCC(C)C)cc1 1871252308 URUGZLSRXBVECS-UHFFFAOYSA-N 445.563 5.356 30 10 IKEE Cc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCc2c[nH]c3ccccc23)C4)o1 1871345053 PNFUCHOHECXJPH-MSXFZWOLSA-N 440.499 5.389 30 10 IKEE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O 1871381414 STXIOQZAOKRMKG-ONFJSNPYSA-N 447.830 5.483 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2OC)C3=O)CC1 1871383905 XQMZPKAIOIJNBS-XYGWBWBKSA-N 434.532 6.213 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871388737 AYMRGIVUTLRNKN-HMAPJEAMSA-N 446.430 5.285 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCCCOc4ccc(Cl)cc4)ccc3C2=O)cc1 1871406428 VCKXOENKWAHQDL-XYGWBWBKSA-N 434.919 6.367 30 10 IKEE CCc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872759593 TVKMOUCLJFTRQJ-HSZRJFAPSA-N 438.552 6.295 30 10 IKEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1C 1872783289 VXKFYHCCZCGZTE-YOEHRIQHSA-N 445.371 6.378 30 10 IKEE C=CCN(CC=C)C(=O)c1ccc2nc(SCc3cc(=O)oc4ccc(C)cc34)[nH]c2c1 1872816349 FUESTJMUDNJXHY-UHFFFAOYSA-N 445.544 5.084 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(N3CCCC3)cc2)cc2c(N(CCC)CCC)ncnc21 1873665595 IUNMNJVBGVNNPH-UHFFFAOYSA-N 446.599 5.096 30 10 IKEE CCSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1ccc(OC)cc1 1874196998 MOIMMYDJIGRLDK-NLRVBDNBSA-N 446.576 5.446 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(OC)cc2)n1/N=C/c1cccc2ccccc12 1874305719 LUZWIJXGIWKKQD-WPWMEQJKSA-N 442.588 5.776 30 10 IKEE CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874339153 LGOCUJNSFIJXLA-WGOQTCKBSA-N 448.979 5.705 30 10 IKEE Cc1ccc(/C=N/n2c(CCOc3ccccc3)nnc2SCc2ccccc2)cc1 1874346515 SKWSFYDNFXYDPO-NLRVBDNBSA-N 428.561 5.383 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3)n2/N=C/c2sccc2C)c1 1874416872 MKJATZOQCUHCJS-MFKUBSTISA-N 432.618 6.030 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2cccs2)cc1 1874422296 FISIAINVRGZBKB-KOEQRZSOSA-N 447.633 6.027 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2cccc(F)c2)nnc1-c1ccccc1 1874426874 FLOZIIBAUQUYEY-WPWMEQJKSA-N 444.535 5.824 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2ccco2)cc1Cl 1874430639 RNHGDILSGBLDIC-FSJBWODESA-N 429.332 6.019 30 10 IKEE CSc1nnc(C(F)(F)F)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1874459098 WMDCMRBWUIZURW-AUEPDCJTSA-N 426.851 5.133 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccco3)n2/N=C/c2ccccc2[N+](=O)[O-])c1 1874467069 QBPZNCJWGBFZMB-YDZHTSKRSA-N 433.493 5.238 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc3ccccc23)n1/N=C/c1c[nH]c2ccccc12 1874484759 MBZBGMPYBTZMTN-LQKURTRISA-N 439.588 6.385 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(N(C)C)cc1 1874508680 PQVBFRAHALJLMI-YZSQISJMSA-N 429.593 5.624 30 10 IKEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1cccc2ccccc12 1874533613 SESXFHGMYKXUPJ-WYMPLXKRSA-N 427.360 6.221 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)c(C)c1 1874589748 AWYNHNSLCMSKAG-BUHFOSPRSA-N 440.970 7.894 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OCc1cccc2ccccc12 1874598127 VQUWIOXUFIPCCZ-UKTHLTGXSA-N 430.450 6.602 30 10 IKEE CCOc1c(OC)ccc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)c1Br 1874600096 SQMVGYHAGMIUHV-VMPITWQZSA-N 425.706 5.415 30 10 IKEE O=C(/C=C/c1ccc(OCc2c(F)cccc2Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 1874601793 DGHKWGGRECSSFM-VQHVLOKHSA-N 446.261 6.516 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc4ccccc4c3)cc2)cc1C 1874602327 GNIPKVRSNUCCLA-MHWRWJLKSA-N 435.523 6.370 30 10 IKEE C=C(C)COc1c(Br)cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1OCC 1874621047 HHHIAEXHHFFMCZ-FNORWQNLSA-N 445.309 5.428 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3ccccc3F)c(OC)c2)cc1F 1874621415 FQQSBMPWNPVHRU-CSKARUKUSA-N 440.442 5.466 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1 1874628985 HDKOQQQNGKRZCH-DTQAZKPQSA-N 441.571 6.396 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1)c1cc(Cl)ccc1Cl 1874637901 XORBWBMQUGFJTO-YCRREMRBSA-N 435.709 7.261 30 10 IKEE COc1ccccc1CCC(=O)Oc1cccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)c1 1874712993 AEVUGTFGRVMVOB-WYMLVPIESA-N 444.527 5.755 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2cccc(OC(=O)c3cccc(C)c3)c2)cc1Cl 1874716738 HMFCCHWVTDOGPG-MDZDMXLPSA-N 441.310 6.426 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1cccc(C)c1 1875098524 DEUVOJQDYQQBGN-GXDHUFHOSA-N 426.512 5.998 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3Cl)c(Cl)c2)cc1 1875099943 GRQPDDLGHCRGDZ-UKTHLTGXSA-N 439.338 6.600 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OC)cc3)c([N+](=O)[O-])c2)cc1 1875101580 WCQWSWLNMIGXRN-MKMNVTDBSA-N 431.444 5.281 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)CCCOc2c(C)cccc2C)cc1 1875118491 YZDKNJJSGMXKMK-OBGWFSINSA-N 444.527 5.973 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)CCCSC 1875121826 JUCKSYSYHIRHDG-VAWYXSNFSA-N 444.980 6.022 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc(F)c2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 1875126806 XJGMRUUSPRGBAG-ONNFQVAWSA-N 425.799 5.503 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3cc(C)cc(C)c3)cc2)cc1C(C)C 1875163036 RORGOZUOANVXGN-FMIVXFBMSA-N 442.555 6.859 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2sccc2C)c(Cl)c1 1875193091 RXWUMDQRDHEFAS-ZZXKWVIFSA-N 447.339 6.487 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc(Cl)c1OC(=O)C(C)C 1875193587 QPWJPBKIBVUYOY-SOFGYWHQSA-N 437.319 5.858 30 10 IKEE C=C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)([C@H](CCC)C(=O)O)C(C)(C)C 1927519817 HKVVKEQIYVDQLT-KCWPFWIISA-N 435.564 5.997 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C3CCCCC3)[C@H]2C1 1944417932 IOXZSQALANNUTC-KDLAUNOPSA-N 433.593 5.095 30 10 IKEE C[C@@H]1CN(Cc2ccccc2)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1949313082 KBLDBRRFQWTXBF-CLOONOSVSA-N 439.987 5.886 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 1950054765 QLVKDSPLPUCBHH-PDOGEWKWSA-N 427.545 5.028 30 10 IKEE CC(C)(C)OC(=O)N1CC(C)(C)[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)C1 1996504097 HULLICJLCXOQSZ-QHCPKHFHSA-N 449.979 5.621 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)[C@@H]1C(C)(C)C 2020136529 MHBYORQVSGVVIT-UUOWRZLLSA-N 429.561 5.356 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)C3(CC3)C2)cc1 2037541186 LNXWJFVPMZNDGD-RUZDIDTESA-N 441.572 5.562 30 10 IKEE O=C(O)[C@H](ON=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C1CC1 2071324213 RSQJQXJCCJNQCI-RUZDIDTESA-N 431.488 5.058 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@]2(C)CCCN2C(=O)OC(C)(C)C)cc1 2076986600 LVLVHKLSBZNHDU-DVECYGJZSA-N 445.560 5.118 30 10 IKEE O/N=C/c1c(C2CC2)nn([C@H](c2ccc(C3CC3)cc2)C2CC2)c1I 2079026836 JPFZVGQFAHLVMY-AZHVYHFMSA-N 447.320 5.050 30 10 IKEE Cc1cc(C)c([C@@H](n2nc(C3CC3)c(C#N)c2I)C2(C)CC2)c(C)c1 2080000466 UTLXDAIQPVJNHF-LJQANCHMSA-N 445.348 5.552 30 10 IKEE CCc1nn([C@@H](c2ccc(SC)cc2)C(C)(C)C)c(I)c1C#N 2080102644 WSYBKDRCASFQDC-INIZCTEOSA-N 439.366 5.279 30 10 IKEE COc1c2c(nc3c(-c4cc(C(F)(F)F)ccc4F)c(C(F)(F)F)nn13)CCCC2 2081160961 RILOGIXMKKEGNK-UHFFFAOYSA-N 433.327 5.460 30 10 IKEE Fc1ccc(-c2c(C(F)(F)F)nn3c(Cl)c4c(nc23)CSC4)c(C(F)(F)F)c1 2081281521 DJNUTDBWUPZSGE-UHFFFAOYSA-N 441.759 5.973 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]([C@](C)(C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)CC1 2082157541 SMMBFUQSBZTXOD-MHPIHPPYSA-N 449.636 5.922 30 10 IKEE CC(C)[C@@H](C)[C@@H](CNc1cc(Br)c(C#N)cc1F)NC(=O)OC(C)(C)C 2106007078 RIFUGHPPAXDFLY-SJKOYZFVSA-N 428.346 5.057 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](Nc2ccc(C#N)c(Br)c2F)CC12CCCC2 2162312000 CGZPBSCMDDGVQY-CQSZACIVSA-N 438.341 5.194 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@H]2Nc2cc(Br)c(C#N)cc2F)C1 2162323557 ONWHCWANYIGHRJ-YLJYHZDGSA-N 438.341 5.051 30 10 IKEE CC(C)(C)OC(=O)NCc1ccc(CNc2cc(Br)ccc2C#N)c(F)c1 2162387703 QBSPFSAPNZYSPS-UHFFFAOYSA-N 434.309 5.097 30 10 IKEE C=CCC1([C@@H](NCC)c2c(F)cc(C)cc2Br)CN(C(=O)OC(C)(C)C)C1 2173459038 ROUBDXYVISPGJA-SFHVURJKSA-N 441.385 5.360 30 10 IKEE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@H](CNc2cccc(Br)c2C#N)CC1 2178646601 SNZVGMKHVURQEC-OYOVHJISSA-N 440.357 5.156 30 10 IKEE C#CCCN(C(=O)c1ccc(Br)c(NC(=O)OC(C)(C)C)c1)C1CCCC1 2180049621 UJUFXLDBJRHEST-UHFFFAOYSA-N 435.362 5.204 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Br)cc1Cl 2222730231 HENBZKKKOIOJMI-IRXDYDNUSA-N 429.786 5.060 30 10 IKEE C=CCN(CC[C@@H](NCC)c1cc(C)c(Br)c(C)c1)C(=O)OC(C)(C)C 2227365575 CPKJTSTUTMRRKH-GOSISDBHSA-N 425.411 5.530 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Br)ccc1[C@H](N)C#Cc1cccc(Cl)c1 2231090259 VOJSXKZMOMRUJK-QGZVFWFLSA-N 435.749 5.501 30 10 IKEE CCc1ccc(C#C[C@H](N)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1 2239644517 AHIAGHCKFOEKRB-LJAQVGFWSA-N 447.578 6.459 30 10 IKEE C=C(C)CCCC[C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2250186282 YMJWMTIBEDXLQW-YFNKSVMNSA-N 432.649 5.990 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1sc(Br)c(C)c1C 2254706280 XMRCPJONXIPVPP-HUUCEWRRSA-N 431.440 5.638 30 10 IKEE O[C@@H](C#CC1CCCCC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2261069332 LBWVNMBDGFXWQI-MHZLTWQESA-N 426.556 6.462 30 10 IKEE C=C(COC)[C@H](OCCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2277263600 SSWLJNFUPPLMPB-NDEPHWFRSA-N 447.575 5.454 30 10 IKEE N[C@@H](C#Cc1ccccc1Br)c1c(Cl)cc(Br)cc1Cl 2283312678 WEBHIBXDTGLEMC-AWEZNQCLSA-N 433.958 5.570 30 10 IKEE C=CC[C@](C)(CNC(=O)OC(C)(C)C)COc1ccnc2ccc(Br)cc12 2285337375 RHODZVPHJZIJFA-OAQYLSRUSA-N 435.362 5.483 30 10 IKEE CCCCCCCCOc1ccc(C=C2SC(=S)N(c3cccc(O)c3)C2=O)cc1 2295987631 CZARGXPMJOQSJW-UHFFFAOYSA-N 441.618 6.537 30 10 IKEE CC(C)(C)OC(=O)NCC1(C[C@H](O)C#Cc2ccc(Br)cc2)CCCCC1 2296275878 BMBBNVJBGBGPBY-LJQANCHMSA-N 436.390 5.027 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C 2296308182 DVYFCLZXEQMKOA-RBUKOAKNSA-N 437.422 5.108 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(N3CCCCC3)cc2)cc1CSc1ccccn1 2297115594 CYSLGLDJAFWMBY-UHFFFAOYSA-N 444.600 6.269 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2302796515 RZZWDAGIERRBIC-OTWHNJEPSA-N 433.524 5.153 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[C@H](C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 2302804147 UBAVPGQLGFGAIH-QRVBRYPASA-N 449.617 5.461 30 10 IKEE COc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(Cl)c2Cl)C3=O)c1 2314437275 HWJSQEJFPOBPEC-UHFFFAOYSA-N 441.266 5.837 30 10 IKEE CN(C)c1ccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C2CC2)cc1 2320892245 YGSHGGDNZHCKCW-UHFFFAOYSA-N 446.407 5.703 30 10 IKEE Sc1nnc(Cc2ccccc2)n1N=Cc1ccc(OCc2cccc(Cl)c2)cc1 2321883957 PABHIBOPRSTQFM-UHFFFAOYSA-N 434.952 5.272 30 10 IKEE CCCCC[C@@H](CC)N1COc2cc(C)c3c(c2C1)OC(=Cc1ccc2c(c1)OCO2)C3=O 2322076079 JZNFCBONVKDTAI-LJQANCHMSA-N 449.547 5.851 30 10 IKEE CCN(CC)CCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(F)cc1)C3=O 2322122814 HPDAVLVRMMMLKH-UHFFFAOYSA-N 438.543 5.024 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(Cl)cc2C=CC(=O)c2ccc(CC)cc2)o1 2322359587 LFJFBCGROLKULT-UHFFFAOYSA-N 438.907 6.147 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2)cc1 2322362710 NXORUXJOKPBXJI-UHFFFAOYSA-N 433.935 6.124 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(C(C)C)cc1)C3=O)CN(C1CCCCCCC1)CO2 2322415262 XPXQUUYDDLFMPG-UHFFFAOYSA-N 445.603 6.999 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(Cl)cc2C=CC(=O)c2ccc(F)cc2)o1 2322748686 TZJOQCQHYDCIND-UHFFFAOYSA-N 428.843 5.724 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1c(Cl)cccc1Cl)C2=O)c1cccc(Cl)c1 2322906419 NORFLXIBAFQVQP-UHFFFAOYSA-N 445.685 6.482 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3cc(OC(=O)C(Cl)(Cl)Cl)ccc3C2=O)cc1 2323034282 AMCWRBRBPAKUSF-UHFFFAOYSA-N 439.722 5.876 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc(C)c(C)c4)c3C)C2=O)cc1OC 2323247673 AEDUTPQUAFWSET-UHFFFAOYSA-N 444.483 5.464 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)c4cccc([N+](=O)[O-])c4C)c3C)C2=O)cc1 2323261764 NCMSJQNGZBGLIH-UHFFFAOYSA-N 429.428 5.355 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OC(=O)Cc3cccc4ccccc34)cc(C)c2C1=O 2323400725 POKMNFIQGOWTAW-UHFFFAOYSA-N 440.520 6.282 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)cc1OC 2323439475 OEIPWANGERZWMG-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE Cc1c(OC(=O)C(Cl)=Cc2ccccc2)ccc2c1OC(=Cc1ccc(F)cc1)C2=O 2323441408 MVRUXYPCPLUNAI-UHFFFAOYSA-N 434.850 5.936 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OC(=O)C=Cc4ccccc4)c3C)C2=O)cc1OC 2323744464 FDSRPUWQNXBDQE-UHFFFAOYSA-N 442.467 5.247 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(Cl)c2)cc(OC)c1OCc1ccccc1F 2323775046 RDCIYCCGGSCZQS-UHFFFAOYSA-N 436.910 6.691 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O 2324335535 CNIVJSBBNKUSCB-KRWDZBQOSA-N 445.490 5.719 30 10 IKEE N#C[C@H](C(=O)C=Cc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2324395048 QBNCUBFIBYVXQZ-MRXNPFEDSA-N 433.747 6.660 30 10 IKEE Cc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1ccc(N(C)C)cc1)C2=O 2324406127 CCFBFEGXCQEHNA-SFHVURJKSA-N 442.515 5.083 30 10 IKEE Cc1cccc(OCCOc2ccc3c(c2C)OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)c1 2324534753 GOQLEGYOHOCHHU-UHFFFAOYSA-N 442.555 6.675 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCCCCOc4ccccc4)c3C)C2=O)cc1 2324581285 SZZXCVKGTFQPIC-UHFFFAOYSA-N 430.500 5.858 30 10 IKEE Cc1c(OCCC(=O)OCCC(C)C)ccc2c1OC(=Cc1cccc(Cl)c1)C2=O 2325103973 CXGLRJSTGTXINC-UHFFFAOYSA-N 428.912 5.623 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(C(F)(F)F)cc1 2325513041 SSVHTTLSMGEBLZ-UHFFFAOYSA-N 436.478 5.953 30 10 IKEE CCOc1cccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(-c4ccccc4)cc3)c2)c1 2325669633 SVWNHHPOHQXJIE-UHFFFAOYSA-N 448.518 6.868 30 10 IKEE COc1cccc(COc2cc(C)c3c(c2)OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)c1 2325699851 PUNYQOPZTVLPKS-UHFFFAOYSA-N 428.528 6.496 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccc(Cl)cc3)c2)cc1 2325704119 KZOBAPKHZUICKM-UHFFFAOYSA-N 434.919 5.955 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1C 2325713812 XDKWUEKPARFOMT-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE Cc1cc(OCC(=O)Nc2cccc(Cl)c2)cc2c1C(=O)C(=CC=Cc1ccccc1)O2 2325717553 LBFSHFGRHYQSBR-UHFFFAOYSA-N 445.902 5.838 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1OC(=O)CCc1ccccc1C 2325727696 YUCSLWKQSBKGHO-UHFFFAOYSA-N 434.919 6.091 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(OC)c(O)c1Cl 2326272745 OQJWHCQFNXDUQN-UHFFFAOYSA-N 448.951 5.302 30 10 IKEE CCOc1c(Cl)cc(C=Nn2c(C)nnc2SCc2ccc(C)cc2C)cc1OC 2326433305 ZZNFEGBDAAQQJD-UHFFFAOYSA-N 444.988 5.439 30 10 IKEE CCCOc1cccc(C=Nn2cnnc2SCc2ccc(Br)cc2)c1 2326606326 PWMGHZLUIOPNGS-UHFFFAOYSA-N 431.359 5.004 30 10 IKEE CCCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1cn(C)c2ccccc12 2327026487 HYZRPVYNBLDHEM-UHFFFAOYSA-N 447.608 5.474 30 10 IKEE Fc1ccccc1CSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccco1 2327753903 AFIXZUSEJWMGEI-UHFFFAOYSA-N 442.519 5.929 30 10 IKEE CCCCC1CCC(c2nnc(SCC)n2N=Cc2ccc(OCCC)cc2)CC1 2328150363 SNDGSYMMVYIVHN-UHFFFAOYSA-N 428.646 6.525 30 10 IKEE CCCCCOc1ccc(C=Nn2c(Cc3ccc(OCC)cc3)nnc2SC)cc1 2328561800 RVEXXLUZTKMUBY-UHFFFAOYSA-N 438.597 5.441 30 10 IKEE Cc1ccc(CSc2nnc(COc3cccc(C)c3C)n2N=Cc2ccncc2)cc1 2328818530 NPGDDXDSXVGLOG-UHFFFAOYSA-N 443.576 5.352 30 10 IKEE Cc1ccc(CSc2nnc(COc3cccc(C)c3C)n2N=Cc2cccn2C)cc1 2328818613 OBRVTCMOHUWRCW-UHFFFAOYSA-N 445.592 5.295 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1ccc(Cl)cc1Cl 2329420258 UMNFPSACWFZPQR-UHFFFAOYSA-N 445.419 6.343 30 10 IKEE Cc1ccsc1C=Nn1c(SCc2ccccc2F)nnc1[C@H](C)c1ccccc1 2330108393 BSTCCZYGXOZSAK-QGZVFWFLSA-N 436.581 6.113 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@@H](C)c3ccccc3)n2N=Cc2ccccn2)c1 2330131522 UEWGUNFMZRTUDZ-FQEVSTJZSA-N 427.577 5.616 30 10 IKEE COc1cccc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccc(F)cc2)c1 2330234419 OFWMNZINEPAFSX-UHFFFAOYSA-N 438.572 5.723 30 10 IKEE O=C(O)c1ccc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccccc2)cc1 2330270174 YZJPNLRUYRUXRA-UHFFFAOYSA-N 434.565 5.274 30 10 IKEE Cc1ccc(O)c(C=Nn2c(Cc3cccs3)nnc2SCc2ccc(F)cc2)c1 2330339261 GVVVBHXBSRXDLE-UHFFFAOYSA-N 438.553 5.258 30 10 IKEE C=CCSc1nnc(-c2cccs2)n1N=Cc1ccc(OCCCC)c(OC)c1 2330590008 PRCNYLYVQVPIDR-UHFFFAOYSA-N 428.583 5.354 30 10 IKEE CCOc1cc(C=Nn2c(SCc3ccccc3)nnc2-c2ccccc2)ccc1O 2330672092 QOSDWMAHCNNHKZ-UHFFFAOYSA-N 430.533 5.224 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3sccc3C)c(Cl)c2)cc1OC 2330718533 ZBJSMRJKXHZNBP-UHFFFAOYSA-N 442.920 5.842 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)Cc1cccs1 2331118865 BEIIXKUKOXWAQE-UHFFFAOYSA-N 442.920 5.463 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)cc([N+](=O)[O-])c1OC(=O)C(F)(F)F 2331129598 ONSYTFGRGGZFJC-UHFFFAOYSA-N 443.761 5.011 30 10 IKEE FC(F)(F)c1nnc(SCc2ccccc2)n1N=Cc1ccc(Cl)c(Cl)c1 2331136383 QMYJVGAXGCDQJP-UHFFFAOYSA-N 431.270 5.778 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(SCc2ccccc2F)nnc1-c1ccco1 2331205302 BWGZISRIHHEGGB-UHFFFAOYSA-N 436.512 5.639 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C2CC2)c(Br)c1)c1ccc(Cl)c(Cl)c1 2331242836 PVPBRMCYJPJWTR-UHFFFAOYSA-N 440.120 5.967 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(OC(C)=O)cc1 2331282060 YQLXSQBYWHEACA-UHFFFAOYSA-N 444.483 5.434 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)CCCOc1ccccc1 2331348994 IELSLOFBHBOUOR-UHFFFAOYSA-N 448.490 5.803 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(Cl)c(OC(=O)c2ccco2)c(OC)c1 2331350954 GSLNGTTXNLFHCW-UHFFFAOYSA-N 426.852 5.374 30 10 IKEE CCCOc1ccc(C=Nn2c(CC(C)C)nnc2SCc2cccc(F)c2)cc1 2331443660 DRWURINQLRGZAZ-UHFFFAOYSA-N 426.561 5.579 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)Cc1ccc(F)cc1F 2331534469 LRYNHSYSDKENRW-UHFFFAOYSA-N 440.417 5.547 30 10 IKEE O=[N+]([O-])c1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CCC2)cc1 2331541665 YNMWDOVMAPFOCE-UHFFFAOYSA-N 427.917 5.282 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(F)c3)c([N+](=O)[O-])c2)c(C)c1C 2331618275 FGADRICMPJRAHM-UHFFFAOYSA-N 449.434 5.475 30 10 IKEE COc1cc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3)cc2)c(OC)cc1Cl 2331687138 LBCIRXHTLKQCFP-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3cccc(C)c3C)c(Cl)c2)cc1C 2331705849 UGECTOBGLKHBHG-UHFFFAOYSA-N 448.946 6.454 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1cccc(Cl)c1 2331779736 MUAUTGOLCLYSQD-UHFFFAOYSA-N 448.946 6.779 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1)c1cc(Cl)ccc1Cl 2331859665 FVVDTCHLXKDHML-UHFFFAOYSA-N 447.317 7.262 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C(C)(C)C 2339585553 QMGMCPOPXCDVQR-JKGDOXCYSA-N 445.413 5.078 30 10 IKEE CSc1cc(Nc2cc(I)ccc2Br)ccc1C#N 2353836596 SVEXJOANMJHMGF-UHFFFAOYSA-N 445.123 5.391 30 10 IKEE Oc1c(Cl)cc(Br)cc1/C=N/c1ccc(-c2nc3ncccc3o2)cc1 3114608 ZNXKIGHBINIOJX-AUEPDCJTSA-N 428.673 5.762 30 10 IKEE C=C(C)COc1ccccc1NC(=O)c1ccc(OCCCCCC)c(Br)c1 9823008 QBCYOXZCAIBZOJ-UHFFFAOYSA-N 446.385 6.615 30 10 IKEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2 14477605 HTUGUMJAIGFAJZ-CKJXQJPGSA-N 435.376 5.284 30 10 IKEE CCN1C(=O)/C(=C/c2c(Cl)cccc2Cl)S/C1=N\c1ccc(O)cc1C(=O)O 16927808 KWERLCNBZABFJP-KISZYUCXSA-N 437.304 5.021 30 10 IKEE C[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@@H]2c1cc(F)cc(F)c1 19640459 SCZUUAROYDBCHV-YHAMSUFESA-N 444.481 6.032 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1sccc1C)N2 20687958 KXWPJCHNTNUVFP-WOIUINJBSA-N 426.607 5.246 30 10 IKEE CC(C)Oc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccc(F)cc1)C2 21220349 KXWKWLAMEIIUQE-HMILPKGGSA-N 442.534 6.592 30 10 IKEE COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2c[nH]c3ccccc23)c1 21231148 SIXAYANJBIKLBF-XDBZFTIUSA-N 435.527 6.156 30 10 IKEE C=CCCC(=O)Nc1c(-c2ccc(OC)cc2)cn(Cc2ccccc2)c1C(=O)OCC 23426846 NBSSRHZPGVURPF-UHFFFAOYSA-N 432.520 5.293 30 10 IKEE CC[C@H](C)/N=C1\OC(c2ccccc2)(c2ccccc2)C1(c1ccccc1)c1ccccc1 32232480 AWZBDXQXGYSILP-NKPIAXQISA-N 431.579 7.144 30 10 IKEE COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccc(Cl)cc2)ccc1O 33321098 LLUMZAUJCNOVHZ-OYHNWAKOSA-N 436.895 5.309 30 10 IKEE C=CCOc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccccn2)c1 35514687 KIGFNYQXACCDSB-JOCHJYFZSA-N 444.874 5.156 30 10 IKEE C=CCC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)CC1CC1 36304916 QAWSYARYCAZGPD-VWLOTQADSA-N 445.607 5.821 30 10 IKEE Cc1cccc(/N=C2/S/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C(=O)N2C)n1 39863230 VOCWKTLXXJSGIN-GXBBLNCVSA-N 444.343 6.191 30 10 IKEE Cc1c(C(=O)NCc2cccnc2)oc2c1/C(=N/Nc1cccc(C(F)(F)F)c1)CCC2 40823989 MVZIJPKIICNBCE-UXHLAJHPSA-N 442.441 5.084 30 10 IKEE Cc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(-c4ccccc4)cc2)C3=O)c1 41355153 PRKIFKSNVXLDSZ-IMRQLAEWSA-N 446.502 6.806 30 10 IKEE Cc1c(OCc2ccc([N+](=O)[O-])cc2)ccc2c1O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 41501483 ZERXRMXSEQBEMY-MTJSOVHGSA-N 432.388 5.007 30 10 IKEE CCc1cc(C)cc(OCCSc2nc3ccc(/N=C/c4ccccc4O)cc3s2)c1 59855135 JHTAEUJQXQTTOD-WGOQTCKBSA-N 448.613 6.794 30 10 IKEE COc1ccc(-c2nc(SC)nc(Nc3ccc(Cl)cc3C)c2C#N)cc1OC 62039738 DLPUISJSYNINCO-UHFFFAOYSA-N 426.929 5.460 30 10 IKEE C=CC(C)(C)[C@@H](C(=O)OC)[C@H](O)c1ccc(OCc2ccccc2)cc1OCC=C(C)C 71973902 FAJUZELWJXCGBQ-JWQCQUIFSA-N 438.564 5.645 30 10 IKEE CCCCCCCOc1ccc(NCC(=O)Nc2cccc(OCCOCC)c2)cc1 100077552 XBMTWPBZNWAONI-UHFFFAOYSA-N 428.573 5.502 30 10 IKEE N#C[C@@H](Nc1ccc(Br)cc1)c1ncc(Br)cc1Br 135310395 UQPFTUXWRGMRIU-GFCCVEGCSA-N 445.940 5.046 30 10 IKEE O=C(O)CSc1ccc(C(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1F 139937710 RIIHWJOHTRQSLT-SOFGYWHQSA-N 427.409 5.067 30 10 IKEE CC(C)c1ccc(-c2csc3nc(C(C)C)n(Cc4cccc(C#N)c4)c(=O)c23)cc1 169902214 SMHPFPHYYATGCM-UHFFFAOYSA-N 427.573 6.292 30 10 IKEE CCCCCCOc1ccc(/C=N\Nc2nc(-c3cccs3)c(C)s2)cc1OC 169942734 MRGZEXMENRWKDD-HAHDFKILSA-N 429.611 6.594 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2cccnc2)c1 170012692 BGPRARNXTMLHQE-SANMLTNESA-N 448.522 5.630 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 170062867 NERVDFGTAWKFQV-FQEVSTJZSA-N 442.273 5.915 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2ccccc2C)c1 170086640 GZYFOJUCXHRNCJ-RUZDIDTESA-N 441.527 5.793 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(O)cc1 170133564 VXFQCAYNPNAVFK-VWLOTQADSA-N 435.479 5.637 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1cccc(C)c1 170141908 VYOLOLMPQSFNJC-QFIPXVFZSA-N 447.918 5.748 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2cccs2)cc1 170159665 UXAQMDGAVRQIGS-JOCHJYFZSA-N 433.529 5.627 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccncc2)cc1 170203066 CTOQVGIILOWQJK-XMMPIXPASA-N 442.515 5.270 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1cccc2ccccc12 170221232 CGSUERPNCNDKAI-HSZRJFAPSA-N 445.902 6.228 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@H]1c1ccccc1 170228175 QELCEUNHDFHKKB-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccc(C(C)C)cc1 170245583 RVSHRHWUERLJHC-XMMPIXPASA-N 435.564 5.833 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(CC)cc2)c1 170265360 OPDXGBUJLNZCQG-VWLOTQADSA-N 441.527 5.821 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)cc2OC)[C@H]1c1ccc(C)o1 170309879 BJEVLTGPAOFJPP-HXUWFJFHSA-N 447.915 5.027 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@H]1c1sccc1C 170318874 NIQKTZWDTPSSSN-KRWDZBQOSA-N 433.957 5.405 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1cccc2ccccc12)c1ccccc1 170370455 PGVOVBGNZNNLPT-DEOSSOPVSA-N 439.898 6.276 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 170414972 DONXBMCFYJZHBT-XMMPIXPASA-N 449.591 5.686 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C)c(C)c2)ccc1OC 170440100 DSMULZZNQPGOQI-HSZRJFAPSA-N 447.487 5.087 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cccc(C)c2C)cc1 170453522 ILHUXMSNTBXGQP-XMMPIXPASA-N 444.531 5.526 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(CCOC(C)C)[C@H]1c1cccc(Oc2ccccc2)c1 170455633 IAVYKSRDOVHCIU-DEOSSOPVSA-N 437.536 5.215 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)SC1=Nc1ccccc1 252616903 KIDYNMCMMLZZCH-FUSVKQJLSA-N 449.488 5.487 30 10 IKEE Cc1ccc(N=CC2=C(c3ccccc3)Oc3ccccc3[C@@H]2c2ccccc2C)cc1C 254391879 CDSLPVZVKDXMAX-PMERELPUSA-N 429.563 7.950 30 10 IKEE CCC(C)(C)[C@@H]1CCc2sc3ncnc(NN=Cc4c(O)ccc5ccccc45)c3c2C1 254569568 RJALSQWHMDZHMB-QGZVFWFLSA-N 444.604 6.537 30 10 IKEE CCC(C)(C)[C@@H]1CCc2sc3ncnc(NN=C(C)c4ccc5ccccc5c4)c3c2C1 254877473 CKEDGCDUCJJIIR-OAQYLSRUSA-N 442.632 7.222 30 10 IKEE CC1(C)OB(c2cc(NC(=O)c3cc(Cl)sc3Cl)ccc2Cl)OC1(C)C 405024904 KAKXYJUTQXJCGP-UHFFFAOYSA-N 432.565 5.260 30 10 IKEE CCCCCCCC[C@H](NC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 406922973 GUHFBDAYWPLYNK-SFHVURJKSA-N 427.427 6.807 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccccc2OC)c1 526485301 FHKOJIFJCOIBNF-VWLOTQADSA-N 440.499 5.413 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccc(O)c2)c1 526604179 KDLAHTBXHIDSFW-DEOSSOPVSA-N 426.472 5.110 30 10 IKEE CC(C)COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccc(F)c2)cc1 526604389 INYJWWFSLOBFKQ-VWLOTQADSA-N 442.490 5.789 30 10 IKEE Cc1ccc(SC2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 526660940 SRAOEAWLTSFHCF-UHFFFAOYSA-N 439.540 5.473 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)cc1O 526745038 WVVFIOGUDNGMRR-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccc3ccccc23)cc1 526772033 ANIKZBPYTLMQAY-AREMUKBSSA-N 448.522 5.689 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1c(OCC)ccc2ccccc12 526807853 HTZYFTZXVWYZQG-PKAZHMFMSA-N 444.604 6.265 30 10 IKEE C=CCCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586143995 KFBZGASGVVNWBZ-UHFFFAOYSA-N 440.653 5.216 30 10 IKEE CCOc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2cccc(C#N)c2)cc1 586148164 TZKILLIUSHZYFF-UHFFFAOYSA-N 440.952 5.001 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@H](C#N)c1cc(F)ccc1Br 698966601 OQGDHNQDOINLHV-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE O=C1N(c2ccccc2)/C(=N\C23CC4CC(CC(C4)C2)C3)[C@@H](N2CCCC2)C12CCCCC2 1081100882 WOMTWXKWWUQOJQ-GTMJFVQFSA-N 445.651 5.815 30 10 IKEE CCCCC(C)=NNc1nc(SCCC(=O)N(c2ccccc2)c2ccccc2)n[nH]1 1084069298 KZUGCTHGNVZALB-UHFFFAOYSA-N 436.585 5.630 30 10 IKEE Cc1cc(C)c(NS(=O)(=O)c2ccc(N=Cc3c(Cl)cccc3Cl)cc2)c(C)c1 1084269484 LRIVFFFJGZVJIK-UHFFFAOYSA-N 447.387 6.470 30 10 IKEE Cc1ccc(S(=O)(=O)Oc2ccc(C=NN(c3ccccc3)c3ccccc3)cc2)cc1 1084483250 WZWSESPFIOFKQE-UHFFFAOYSA-N 442.540 5.935 30 10 IKEE Cc1c(C)c(C)c(CS/C(=N/c2cccc(C(F)(F)F)c2)N2CCCC2)c(C)c1C 1615951597 SQIBIPAOFLEFMT-WEMUOSSPSA-N 434.571 7.264 30 10 IKEE CN1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=Nc1ccncc1Cl 1772732880 HKGFWIMPYSEDRW-ONBPWHQPSA-N 440.868 5.137 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(-c3ccccc3Cl)o2)SC1=Nc1nnc(C)s1 1772740039 YJDAFLYJXNSTMU-NOPVENIWSA-N 430.942 5.384 30 10 IKEE CC(C)(C)c1ccc(C=NN=C2NC(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S2)cc1 1772742262 JLQIBYINZNTETO-GOSISDBHSA-N 434.392 5.455 30 10 IKEE Cc1c(C(=O)Oc2ccc(F)cc2)oc2c1C(=NNc1cccc(C(F)(F)F)c1)CCC2 1772751055 URWSTPAWPLKKPE-UHFFFAOYSA-N 446.400 6.118 30 10 IKEE CCCn1c2ccccc2c2nnc(NN=Cc3cccc(OCc4ccccc4)c3)nc21 1772764795 VOFQGBWKKZQQAN-UHFFFAOYSA-N 436.519 5.415 30 10 IKEE CCOC(=O)[C@@H](Cc1ccc(F)cc1)C(=O)CC=NOCc1ccc(Cl)cc1Cl 1848352921 MDFJEMXDADDZCP-SFHVURJKSA-N 440.298 5.016 30 10 IKEE C=CCN(CC=C)c1cc(-c2cc3cnccc3c(NC(C)(C)CC(C)(C)C)n2)ccn1 1857835234 JFTHQTGIZOIXAZ-UHFFFAOYSA-N 429.612 6.497 30 10 IKEE Cc1sc(NC(=O)c2cc3cc(Cl)cc(Br)c3oc2=O)c(C#N)c1C 1859741134 KQAUAPFRHLGCEJ-UHFFFAOYSA-N 437.702 5.011 30 10 IKEE N#Cc1cccc(C(=O)N2CCC(c3ccc(OC(=O)/C=C/c4ccccc4)cc3)CC2)c1 1860705826 JNXRKSURWMFNPL-NTEUORMPSA-N 436.511 5.197 30 10 IKEE CCOc1cccc(/C=C/C(=O)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 1860728270 GEGCULMWLZTOAW-VOTSOKGWSA-N 431.332 5.344 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1C)[C@H](C)CC 1861011668 ZXSAMUHTGNZHTI-GCJKJVERSA-N 433.593 5.305 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)c1cccc(Oc2ccccc2)c1 1861755690 UEHQGBPCIBCNPH-RUZDIDTESA-N 438.612 6.244 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)c1cc(Cl)ccc1Cl 1861766196 XNYQYSKRWRRMLC-GOSISDBHSA-N 433.445 5.322 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 1861821015 BTYJGSYREGKLTM-IBGZPJMESA-N 439.984 5.404 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(F)cc2)n(Cc2ccc(Cl)c(Cl)c2)n1 1862372895 NAVZHCQLKAUVBA-UHFFFAOYSA-N 444.337 5.859 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1Cl 1862382697 ORWOYMJORYRKGU-HXUWFJFHSA-N 448.321 6.044 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CC(C)C)cc1 1862421729 OMGUCPIKZBXDKV-QFIPXVFZSA-N 442.506 5.045 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CC2)cc1 1862454046 OJXOUZZRJLVGMR-JOCHJYFZSA-N 439.939 5.650 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2cccc(F)c2)cc1 1862474114 LALPKWNGZRNVLY-HSZRJFAPSA-N 433.454 5.094 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862534451 RNGNMONWPOMRQL-AREMUKBSSA-N 445.603 6.674 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862534792 UZQZLACYHKYDDI-RUZDIDTESA-N 431.576 6.283 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C2CCCC2)cc1O 1862619111 NWFCOORAEWXTDT-QHCPKHFHSA-N 449.547 5.219 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862680813 KXDIZTINRVZVBZ-LJQANCHMSA-N 446.862 5.012 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862702274 AIRUWHRDFWAXND-CJAUYULYSA-N 441.527 5.597 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2ccc(F)cc2)c1 1862703104 RGEQRMSPDPFSRF-DEOSSOPVSA-N 445.490 5.045 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1cccc2ccccc12 1862704910 LMOCKNCXQCJPPS-RUZDIDTESA-N 443.543 6.007 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862705771 GRCUHICPESREBB-BUXKBTBVSA-N 434.319 5.379 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccccc2)cc1 1862712953 DMSZMEQSDGSSDA-SANMLTNESA-N 433.507 5.927 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(C(C)C)cc1 1862714274 ILXREGFJCMIJBY-RUZDIDTESA-N 427.544 6.198 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862716310 DISNJQLCYUIMOS-AVRWGWEMSA-N 443.543 6.005 30 10 IKEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@H]2c2cccc(F)c2)cc1 1862733719 VUGKTPHJDRTDDH-QHCPKHFHSA-N 439.527 5.773 30 10 IKEE N#Cc1ccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3ccc4ccccc4c3)C2=O)cc1 1862764484 QRWGDUOWGXTKGY-UHFFFAOYSA-N 433.442 5.247 30 10 IKEE Cc1ccc(C2=C(Nc3cc(Cl)ccc3Cl)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862896454 OLPJISXURNWWPY-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(F)c(C)c3)C2=O)c1 1863084508 QUCKACYWLOUNAB-UHFFFAOYSA-N 425.463 5.019 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(F)cc2)C1=O 1863146228 RBSMNVBMWKEDOP-UHFFFAOYSA-N 447.554 6.030 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(Cl)cc2)C1=O 1863173057 IRSLPGSNHCEKFQ-NRFANRHFSA-N 435.955 5.763 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C)cc2C)=C(c2ccc(OCC)cc2)C1=O 1863208663 VHHDCOVVVOQRPU-UHFFFAOYSA-N 448.607 6.255 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)cc2F)=C(c2ccccc2F)C1=O 1863301095 ORWGBPYKPLOWAR-UHFFFAOYSA-N 430.470 5.656 30 10 IKEE N#Cc1ccccc1NC1=C(c2ccc(F)cc2F)C(=O)N(C2CCCCCCC2)C1=O 1863320921 JFTZJBOVQBXIHD-UHFFFAOYSA-N 435.474 5.141 30 10 IKEE C=CCN1C(=O)C(N[C@H](C)C23CC4CC(CC(C4)C2)C3)=C(c2cccc3ccccc23)C1=O 1863583313 UYSJSTFJENWDCL-PLVCPGIGSA-N 440.587 5.300 30 10 IKEE O=C(NCC1(c2ccc(F)c(F)c2F)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1865966236 HPZDAHVABMHFBO-UHFFFAOYSA-N 441.293 5.603 30 10 IKEE CCCC[C@@H](NC(=O)[C@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866963700 MMWKHCBWXYLVHS-RPBOFIJWSA-N 433.596 5.735 30 10 IKEE CCCCCCCCCCNC(=O)CCc1ccc2nc(O)c(-c3ccccc3)cc2c1 1868191836 BQTQVPYTOJVYCM-UHFFFAOYSA-N 432.608 6.797 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N2C[C@@H](C)C[C@H](C)C2)nn1-c1ccc(Cl)cc1 1870024282 ZWBFJUKFHGVTHN-OALUTQOASA-N 446.039 6.092 30 10 IKEE CCCCCCCOc1cn(Cc2cccc(C)c2)c(CSc2ncccn2)cc1=O 1870251878 VKIPAOZMXQQDME-UHFFFAOYSA-N 437.609 5.637 30 10 IKEE CCCCCCCOc1cn(CCc2ccccc2)c(CSCc2ccccc2)cc1=O 1870252449 UIMOTHRQFDPDHO-UHFFFAOYSA-N 449.660 6.874 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(Cl)cc2)cn1Cc1ccccc1 1870440849 SXRLDDHMGHBHBK-UHFFFAOYSA-N 434.967 5.303 30 10 IKEE C=CCn1cc(OCc2ccc(CC)cc2)c(=O)cc1CNc1cc(NC(C)=O)ccc1C 1870889902 GBZUVSAQRZQQCS-UHFFFAOYSA-N 445.563 5.055 30 10 IKEE CCCCCCCCn1cc(OCCC)c(=O)cc1CNc1cccc(NC(C)=O)c1 1871105505 QRBPAVYYSKKHRF-UHFFFAOYSA-N 427.589 5.568 30 10 IKEE CCCCCCCCN=c1[nH]c(Nc2ccc(N(CC)CC)cc2C)ncc1[N+](=O)[O-] 1871312175 HCFRPBIUHADVNP-UHFFFAOYSA-N 428.581 5.477 30 10 IKEE CCCCOC(=O)c1ccc(CN2COc3c(cc4c(c3C)OC(=C(C)C)C4=O)C2)cc1 1871351780 ZZEYHXLTHIYPFU-UHFFFAOYSA-N 435.520 5.173 30 10 IKEE Cc1ccc(C)c(CN2COc3c(cc4c(c3C)O/C(=C\c3sccc3C)C4=O)C2)c1 1871355810 XBNJDIPIKXGCMH-JJFYIABZSA-N 431.557 5.950 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc(C)c3C2=O)c1 1871374721 BIQQUPYULQSYMX-JJFYIABZSA-N 429.428 5.355 30 10 IKEE Cc1c(O[C@@H](C)C(=O)Nc2ccccc2Cl)ccc2c1O/C(=C\c1cccs1)C2=O 1871404544 MHVVZCUKKRPINO-GQFJFNLSSA-N 439.920 5.732 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCCCCOc4ccccc4C)cc(C)c3C2=O)c1 1871405490 SLQWAYQUJGAIFB-ONUIUJJFSA-N 428.528 6.466 30 10 IKEE CC[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1cc(Br)cc3c1OCOC3)C2=O 1871421499 PTDOJSPSZOQNBI-WDDBSPGISA-N 445.309 5.418 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OCc4cccc(Oc5ccccc5)c4)c3C)C2=O)c1 1871436665 KAYLNVKQNFVNBB-VEILYXNESA-N 448.518 7.291 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3c(ccc(OCc4ccccc4C#N)c3C)C2=O)c1 1871437373 UOPONCNQIQJVEM-CFRMEGHHSA-N 427.456 5.079 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871450709 NPSXJSZXAKIILV-ACMDDDSKSA-N 445.515 6.044 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(C)cc2)[nH]c(N2CCC(C)CC2)n1 1871479390 RHDSBKNVUJNWIH-UHFFFAOYSA-N 438.664 6.134 30 10 IKEE CCCCCCCCNC(=O)c1ccc2[nH]c(-c3ccc(Br)cc3)nc2c1 1872735844 CJPXGUTWPXIZCF-UHFFFAOYSA-N 428.374 6.083 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccc(OC)cc3)n2)cc1 1872768170 LKMLJVDDILWDPX-NRFANRHFSA-N 436.533 5.253 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(OC)cc3OC)n2)cc1 1872770601 ZOAMGXFXFNKQOM-HSRJRILOSA-N 448.544 5.506 30 10 IKEE Cc1cc(-c2csc([C@H](C#N)C(=O)Cc3ccc(Br)cc3)n2)ccc1F 1872772024 IFYKCSCIUKCMMI-MRXNPFEDSA-N 429.314 5.439 30 10 IKEE Cc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)c(C(C)(C)C)c1 1872776823 YSEABHKRFAFHBM-NRFANRHFSA-N 446.616 6.795 30 10 IKEE COc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)c(OC)c1 1872778119 DMEKSKNVIYYIGZ-JRMCHAMMSA-N 448.544 5.342 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1 1872778545 NMESUJVWBOKZKG-FQTAANOTSA-N 430.573 6.332 30 10 IKEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)cc1C 1872783996 NDBOYEHSZUSIDP-INIZCTEOSA-N 436.449 5.042 30 10 IKEE COc1c(Cl)cc(-c2csc([C@H](C#N)C(=O)Cc3ccc(F)cc3)n2)cc1Cl 1872785963 XZQRHRFSQARMNH-CQSZACIVSA-N 435.307 5.684 30 10 IKEE CCCOc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 1872787664 OXUHQLQXJKABLI-GOSISDBHSA-N 445.371 6.325 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(F)cc3)n2)c2ccccc12 1872788067 CFTOXBDOGUZGCR-NBILRRPASA-N 428.488 6.001 30 10 IKEE Cc1nc(SCc2cccc(C(=O)Nc3ccc(C(C)(C)C)cc3)c2)c(C#N)c(C)c1C 1872892999 BNIOBFVCIVCAHJ-UHFFFAOYSA-N 443.616 6.721 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(C(F)(F)F)cc2)=C(c2cccc(Cl)c2Cl)C1=O 1873341951 WCBNVAPNUHKOGX-UHFFFAOYSA-N 441.236 5.390 30 10 IKEE Sc1nnc(CCc2ccccc2)n1/N=C/c1cccc(OCc2ccccc2Cl)c1 1873502744 SUOYJHXLHCTWTQ-WGOQTCKBSA-N 448.979 5.467 30 10 IKEE Cc1c(CC(=O)Nc2ccccc2C#N)c(=O)oc2cc3c(cc12)CCC1(CCCCC1)O3 1873868431 CJYHSNMNBHCVAN-UHFFFAOYSA-N 442.515 5.182 30 10 IKEE CCc1ccc(OCCCc2nnc(SC)n2/N=C/c2cccc3ccccc23)cc1 1874223579 SUXJHSNYSNYJLX-NLRVBDNBSA-N 430.577 5.609 30 10 IKEE Cc1cccc(OCc2nnc(SCc3ccccc3F)n2/N=C/c2cccn2C)c1C 1874323443 PMJCBYYAVMGJGH-VULFUBBASA-N 449.555 5.126 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3C)n2/N=C/c2cccc(F)c2)cc1 1874359949 HLCJOQVRHDDOJL-OGLMXYFKSA-N 444.579 5.994 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(C(F)(F)F)n2/N=C/c2ccccc2Cl)cc1 1874460682 ADKCVDSPJXPLQD-LSFURLLWSA-N 441.822 5.033 30 10 IKEE CCOc1ccc(/C=N/n2c(CCOC)nnc2SCc2cccc3ccccc23)cc1 1874473461 GAVZTPLRONYFNX-YZSQISJMSA-N 446.576 5.193 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc(CC)cc1 1874480210 NBLWQNBGINHWCS-AFUMVMLFSA-N 447.435 6.664 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2ccc(C(C)C)cc2)cc1 1874482870 RNZXHKONJXPFBP-CVKSISIWSA-N 449.624 5.620 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2sccc2C)c(C)c1 1874486651 DIIZGJUYPRAOTC-FSJBWODESA-N 441.626 5.175 30 10 IKEE O=C(CSc1nnc(C2CC2)n1/N=C/c1cccc2ccccc12)Nc1ccc(F)cc1 1874516376 UTJOCEDHGFNKJG-VULFUBBASA-N 445.523 5.061 30 10 IKEE O=[N+]([O-])c1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C2CC2)cc1 1874523142 YIWMGQHMFFQCJM-LSHDLFTRSA-N 431.880 5.031 30 10 IKEE CC(C)(C)c1nnc(S)n1/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1874559272 HWHVMAOFCBAUIP-FOKLQQMPSA-N 435.380 5.632 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1OCc1ccc(F)cc1 1874579565 VMGNUYSJUHNPBB-XYOKQWHBSA-N 431.290 6.616 30 10 IKEE O=C(/C=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 1874580962 OFIVYROENFFTBH-RMKNXTFCSA-N 441.310 6.240 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3ccccc3Cl)c2)cc1 1874593616 SOBKOCCJABIAKB-FOWTUZBSSA-N 434.963 7.166 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cccc(OCC(=O)Nc2cccc(C)c2C)c1 1874599392 KQQDXHRJBDAEGY-OUKQBFOZSA-N 443.543 5.842 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OCC(=O)Nc2cc(C)ccc2C)cc1 1874620248 PRJLRFHOFQJVMU-JLHYYAGUSA-N 429.516 5.534 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccccc1Cl 1874631664 ODCRRZCZYCXPKP-PKNBQFBNSA-N 441.354 7.094 30 10 IKEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc1OC 1874638911 YJNJJXKRJVZWKS-FMIVXFBMSA-N 434.488 5.085 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(OCC(C)C)cc3)c2)cc1C 1874696217 NMIQBPYAESCZCW-RIYZIHGNSA-N 444.527 6.154 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(C)c(C)c3)c2)cc1C 1874696300 QYICPCCSTZGPFC-YRNVUSSQSA-N 430.500 5.744 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1OC(=O)c1sccc1C 1874706196 VBQKQFMAVQKZCX-WUXMJOGZSA-N 434.557 6.478 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccc(C)cc3)c2)c(OC)c1 1874714305 OSEKIHGWVDQKEV-UKTHLTGXSA-N 446.499 5.065 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4ccccc4c3)cc2OC)cc1 1875095846 KLOYZMSSZNNCPD-MHWRWJLKSA-N 436.507 6.526 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1cccc(C)c1 1875098066 QLVRAPWZRITWGN-RVDMUPIBSA-N 440.539 6.388 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)ccc1OC(=O)Cc1ccccc1OC 1875100992 MIIRQGMRGHDTNJ-WYMLVPIESA-N 446.499 5.147 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3cccc(C)c3)c(OC)c2)c1 1875102660 LXDVKWVIBAOEQJ-VAWYXSNFSA-N 432.472 5.136 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)ccc1OC(=O)c1ccc(OC)cc1 1875102742 CTAFSNWOHZHIIO-LZYBPNLTSA-N 430.500 5.772 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(Cl)cc2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 1875116535 GQRZCUAUUUCAGF-QQDOKKFESA-N 442.254 6.017 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)c2cc3ccccc3n2C)c(Cl)c1 1875118639 HFJMMSHVPOPRKI-ACCUITESSA-N 445.902 5.956 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1 1875133781 BQHBJRMNZQWNAH-MDWZMJQESA-N 427.283 6.117 30 10 IKEE C[C@H](C(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1)c1ccccc1 1875135348 LWLJIWMBVKGMTB-IDJPSDCMSA-N 425.311 6.599 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 1875136502 BTAFRXJNOODEBD-UKTHLTGXSA-N 431.444 5.417 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(OC)c(OC(=O)c2ccc(C)cc2)c(OC)c1 1875143769 PUXDVYFJVQENQB-FMIVXFBMSA-N 446.499 5.445 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(Cl)c1OC(=O)C1CCC1 1875154976 GUZWRKLLZFFWHI-BUHFOSPRSA-N 434.919 6.494 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)Cc1ccccc1 1875156328 USUUPCCNYOJQIP-NTEUORMPSA-N 448.946 6.516 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)c1c(F)cccc1Cl 1875158809 OECHPNPNBVGJNS-WUXMJOGZSA-N 442.845 6.132 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2cnc(C)cn2)c(Cl)c1 1875170791 QERJBPOEKJYOPM-FNORWQNLSA-N 436.895 5.179 30 10 IKEE O=C(CCCSc1ccc(Cl)cc1)NCC#CCOc1cccc(C(F)(F)F)c1 1891217898 UCKGGGYGVUAAEN-UHFFFAOYSA-N 441.902 5.430 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](O)c1cc(Br)ccc1Cl 1922056443 XURORVPJADCTSW-RTWAWAEBSA-N 438.793 5.277 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)NCCC 1922086680 RYSKKUWCUAQMHL-GPUOULLFSA-N 444.660 5.801 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 1933986954 BPDBDANWFZKVET-RUZDIDTESA-N 441.572 5.107 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@]1(C#N)CCC(F)(F)C[C@H]1OCc1ccccc1 2043781048 JQLNMFVFOQNYBE-QPPBQGQZSA-N 442.506 6.095 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@H]2C[C@H]1C[C@H]2NC(=O)OC(C)(C)C 2046020906 XYKMGLHAKOKUNN-VXQVSLNISA-N 441.572 5.322 30 10 IKEE COc1ccc(Oc2ccc(C=CC(=O)c3ccc4c(c3)OCCO4)cc2[N+](=O)[O-])cc1 2053588914 CPRUATFRJBBKTJ-UHFFFAOYSA-N 433.416 5.063 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1C(C)(C)[C@@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2055761778 BPYOKDUFLDNVCV-RRQZXNHTSA-N 447.620 5.484 30 10 IKEE Cc1ccc([C@@H](C2CCC2)n2nc(C(F)(F)F)c(/C=N/O)c2Br)c(C)c1 2079087741 QRMYYFKCBPVRMO-MJGXDETHSA-N 430.268 5.479 30 10 IKEE COc1ccc([C@@H](C2CCC2)n2nc(C(C)(C)C)c(C#N)c2I)cc1 2079876231 GMLYHYCPIAWCQO-QGZVFWFLSA-N 449.336 5.055 30 10 IKEE COc1ccc([C@@H](n2nc(C3CCC3)c(C=NO)c2Br)C2(C)CC2)cc1C 2079981830 SAOMMUYJBMDMAJ-LJQANCHMSA-N 432.362 5.428 30 10 IKEE Cc1cc(C)c([C@@H](C(C)C)n2nc(C3(C)CC3)c(C#N)c2I)c(C)c1 2080038977 UREWFOOLCFNTTO-GOSISDBHSA-N 447.364 5.582 30 10 IKEE CCOc1ccc([C@H](C2CCC2)n2nc(C(C)C)c(C#N)c2I)cc1 2080079315 FUYBILFVMHAUHG-IBGZPJMESA-N 449.336 5.271 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cccc(Br)c1Cl 2081389242 UWVDNMZQZGWCEJ-NVXWUHKLSA-N 431.802 5.613 30 10 IKEE C=CCCCCCCCC[C@@H](CCN(Cc1ccccc1)C(=O)OC(C)(C)C)NCCC 2086258339 CNDJRAFECDHNJT-SANMLTNESA-N 444.704 7.489 30 10 IKEE CCC[C@@]1(C)CSC(=Nc2c(Br)cc(Cl)cc2Br)N1 2090411165 GCTUFUFDVSQFQB-ZDUSSCGKSA-N 426.605 5.748 30 10 IKEE Cc1ccc(Nc2cc(Br)c(Br)c(Br)c2)c(C#N)c1 2095445959 OHTGFNUWBSSIBQ-UHFFFAOYSA-N 444.952 5.898 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1ccc(O)cc1Cl 2096989248 JASFHCBCGCJLFO-KRWDZBQOSA-N 437.721 5.814 30 10 IKEE N#Cc1ccc(CNCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1 2134728394 SMZKDQALTWNSKU-UHFFFAOYSA-N 434.539 6.006 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(F)c(Br)c(F)c1 2142155628 LGBXXTOJEVMBFZ-WBVHZDCISA-N 433.337 5.237 30 10 IKEE CCCCCCCCCC(=O)[C@H](O)c1cc(Br)c(Br)s1 2147073273 GNANKNXZIGKLBP-AWEZNQCLSA-N 426.214 6.016 30 10 IKEE CC1(C)CCC([C@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)CC1 2158488718 HSEANWMPUZMXTM-QFIPXVFZSA-N 435.406 6.689 30 10 IKEE CC[C@H]1CN(C(=O)OC(C)(C)C)[C@H](CC)CN1c1cc(Br)cc(F)c1C#N 2174809349 YRUSMTRTHXOHDX-LSDHHAIUSA-N 440.357 5.074 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](CNc2ccc(C#N)cc2Br)[C@@H]2CCCC[C@H]21 2179392439 IHCLZCVJANLXOX-TXPKVOOTSA-N 434.378 5.158 30 10 IKEE C[C@@](C#N)(c1ccccc1)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2191345675 FKBSKWOLTPRWEN-XZWHSSHBSA-N 449.550 6.359 30 10 IKEE C=CC[C@](C)(CO)CNc1sc(Br)c(Br)c1Br 2216532008 JHFLFTPDFDLZOJ-NSHDSACASA-N 448.018 5.022 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1cc(Cl)cc(C)c1NC(=O)OC(C)(C)C 2217418172 MIPWIEJAANNLPO-JOCHJYFZSA-N 445.003 6.419 30 10 IKEE O[C@@H](C#Cc1ccccc1Br)c1ccc(Br)cc1Br 2227481593 LEIUVDPIKQBQMF-HNNXBMFYSA-N 444.948 5.059 30 10 IKEE C=CC[C@@]1(COc2ncc(Br)cc2Cl)CCN(C(=O)OC(C)(C)C)C1 2259587017 NXFPAMHLHUJKIS-GOSISDBHSA-N 431.758 5.080 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)C1(C#N)CCC2(CCS2)CC1 2272897246 FPCXLLOSQZXRKU-UHFFFAOYSA-N 437.403 5.903 30 10 IKEE N[C@H](C#Cc1ccc(Br)cc1)c1cc(Br)ccc1Br 2278734082 AOPGOJLDBWZGPK-OAHLLOKOSA-N 443.964 5.026 30 10 IKEE COc1ccc(OC)c(C=C2Oc3c(ccc(O)c3CN(CC(C)C)CC(C)C)C2=O)c1 2296592349 QPAHXOBLCNUXLM-UHFFFAOYSA-N 439.552 5.140 30 10 IKEE O=C1C(=Cc2cccc(Br)c2)Oc2cc(OC(=O)C3CCCCC3)ccc21 2296641799 HJRFXIZPQPKQKE-UHFFFAOYSA-N 427.294 5.551 30 10 IKEE Cc1ccc(COc2cccc(C=C3SC(=Nc4cc(C)ccc4O)NC3=O)c2)cc1 2314556976 GEPXJZZXYSLJNB-UHFFFAOYSA-N 430.529 5.480 30 10 IKEE C=CCc1ccccc1OCCn1c(CNC(=O)C=Cc2ccccc2)nc2ccccc21 2314867149 UIRMCFRXOPFELK-UHFFFAOYSA-N 437.543 5.173 30 10 IKEE Cc1cc(OCc2ccc(Cl)cc2Cl)cc2c1C(=O)C(=Cc1cccc(F)c1)O2 2321784425 QPXXEWXHEAZIEL-UHFFFAOYSA-N 429.274 6.636 30 10 IKEE Cc1c(OCc2ccc(F)cc2Cl)ccc2c1OC(=Cc1ccc3c(c1)OCO3)C2=O 2321862721 FCQDDOLDASOKGU-UHFFFAOYSA-N 438.838 5.711 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(N(C)C)cc1)O3)CN([C@@H](C)c1ccccc1)CO2 2322092556 KZFBHCFEVWEJBK-IBGZPJMESA-N 440.543 5.590 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Br)ccc1OCc1ccc(C)cc1 2322477382 PPZJAUGPATZBFI-UHFFFAOYSA-N 437.333 6.241 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)Cc4ccc(Cl)cc4)cc(C)c3C2=O)cc1 2322901071 VMJFUWPDDCXZKB-UHFFFAOYSA-N 432.903 5.975 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1OC 2323060660 AFVIMVZDOLMYKC-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OCC(=O)NCc2ccco2)c1 2323303274 DRZAREQIADGWCD-UHFFFAOYSA-N 431.532 5.477 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCc3nc(O)c4ccccc4n3)c2)cc1Cl 2323310692 YPCRMJNQBJNIIH-UHFFFAOYSA-N 446.890 5.473 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1OCc1ccc(Cl)cc1 2323327149 CNFDURMKHJHNTI-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2)c(Br)c1)c1ccc2ccccc2c1 2323399758 SGFVISUZUKLVHD-UHFFFAOYSA-N 443.340 7.077 30 10 IKEE CCCCCCCCCOc1ccc(C=Nn2c(S)nnc2CCCC)cc1Cl 2323499470 NNVGIYJZFCJENI-UHFFFAOYSA-N 437.053 6.574 30 10 IKEE CCOc1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccncc2)C3=O)cc1 2323511901 FBRUKKGEQPBMCD-UHFFFAOYSA-N 427.456 5.024 30 10 IKEE CC(C)COC(=O)COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1Cl 2323512511 XZSNINKIYJLNEB-UHFFFAOYSA-N 441.738 6.121 30 10 IKEE CCCOc1ccc(C=NNc2nc(-c3cccs3)c(C)s2)cc1Br 2323858423 TVZXZCJMQKUVJZ-UHFFFAOYSA-N 436.400 6.177 30 10 IKEE Cc1ccc(-c2csc(NN=Cc3ccc(OCCCc4ccccc4)cc3)n2)cc1 2323865869 MNZAZDXIGPIKFB-UHFFFAOYSA-N 427.573 6.576 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OCc1cccc2ccccc12 2324010259 PFHWEWDVXKIFIP-UHFFFAOYSA-N 438.523 6.641 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)cc(Cl)c1OCc1cccc(F)c1 2324124749 DXKKRFIWPAFUTE-UHFFFAOYSA-N 446.905 7.116 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OCC(=O)NCc3ccccc3)cc2)c1C 2324332051 CASHHDYMYLCAOT-UHFFFAOYSA-N 427.544 5.512 30 10 IKEE CCOc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1OC 2324451468 PKPWNUKXRSYVSD-GOSISDBHSA-N 449.488 5.015 30 10 IKEE COc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1cccc(Cl)c1)C2=O 2324472390 HISKMBAOGDYCSW-OAHLLOKOSA-N 449.890 5.371 30 10 IKEE Cc1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)c1C 2324498477 CONYEGGDZJBXSB-KRWDZBQOSA-N 447.918 5.979 30 10 IKEE Cc1ccc(OCCCOc2cc(C)c3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)cc1 2324545855 SHLDAADTAHTKEU-UHFFFAOYSA-N 443.543 5.834 30 10 IKEE C[C@H](Oc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O)C(=O)Nc1ccc(Cl)cc1 2324609811 OEMYGSCEZNGTFI-AWEZNQCLSA-N 437.854 5.501 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1 2325614008 MVOJWTJOVIDSGV-QGZVFWFLSA-N 445.490 5.973 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCC(=O)Nc4cccc(Cl)c4)ccc3C2=O)cc1 2325716927 GLVBENYBKMDURZ-UHFFFAOYSA-N 449.890 5.372 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2OC)cc1OC(=O)COCc1ccccc1 2325742896 LPQANXWGIXNZTC-UHFFFAOYSA-N 446.499 5.031 30 10 IKEE Cc1cccc(OCC(=O)Oc2cccc(C=CC(=O)c3cccc4ccccc34)c2)c1C 2325749894 LQGXLRCMWSONRF-UHFFFAOYSA-N 436.507 6.337 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cccc(OC(=O)Cc2ccc(F)c(C)c2)c1 2325757464 JUGXWFQUFGNSIU-UHFFFAOYSA-N 432.491 5.804 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)c3cccc4ccccc34)c2)cc1C 2325771178 YDVVXEAIWAVUBD-UHFFFAOYSA-N 436.507 6.581 30 10 IKEE CCCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1ccc(C)cc1 2325905881 QNELCNJTHUSJMZ-UHFFFAOYSA-N 436.625 6.156 30 10 IKEE CCc1ccc(OCCCc2nnc(SC)n2N=Cc2ccc(Cl)cc2Cl)cc1 2326295366 JQMCPDZONDKNQX-UHFFFAOYSA-N 449.407 5.763 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1ccc(F)cc1 2326322633 CYZRZOMHTXYKEF-UHFFFAOYSA-N 438.572 5.542 30 10 IKEE CCCSc1nnc(COc2ccc(OCC)cc2)n1N=Cc1cccc(OCC)c1 2326689052 VIPOHEHHBSAVKT-UHFFFAOYSA-N 440.569 5.039 30 10 IKEE C=CCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1c(F)cccc1Cl 2327771856 UKYSIWPGORFFRG-UHFFFAOYSA-N 436.943 5.975 30 10 IKEE Oc1cccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCc2ccc(F)cc2)c1 2329811763 BHRDSVDOQOWCHN-UHFFFAOYSA-N 436.487 5.027 30 10 IKEE Cc1cccc(C=Nn2c(COc3ccccc3)nnc2SCc2ccc(F)cc2)c1 2329883457 UJXSUKLLNJPBDF-UHFFFAOYSA-N 432.524 5.479 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCc3ccccc3)nnc2[C@@H](C)c2ccccc2)cc1 2330109193 NEEIWQNJXQPYLE-NRFANRHFSA-N 440.616 6.728 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc4ccccc4c3)cc2)c(C)c1 2330651766 UHBQPOJCYXMLEW-UHFFFAOYSA-N 436.507 6.337 30 10 IKEE CC(C)CC(=O)Oc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1Br 2330664120 JSHJFYVWVDTRDX-UHFFFAOYSA-N 437.333 6.450 30 10 IKEE O=C(CSc1ccccc1)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1 2330805399 GURVNGBDWRPRJM-UHFFFAOYSA-N 443.351 6.587 30 10 IKEE C=CCSc1nnc([C@@H]2CCCO2)n1N=Cc1ccc(OCCCCCC)c(OC)c1 2330975428 ITCVGVPHAVLNLZ-FQEVSTJZSA-N 444.601 5.258 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Br)c(OC(=O)CC(C)C)c(OC)c1 2331072071 NFEFGVROSCKQAQ-UHFFFAOYSA-N 447.325 5.314 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(N(C)C)cc1 2331136199 GGCDRHTZZYYDBJ-UHFFFAOYSA-N 435.907 5.530 30 10 IKEE Fc1ccc(CSc2nnc(-c3ccco3)n2N=Cc2ccc(Cl)cc2Cl)cc1 2331182739 HBSFOYIQBQRZQF-UHFFFAOYSA-N 447.322 6.159 30 10 IKEE Cc1cccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2-c2ccco2)c1 2331215851 IVXUPPPMOOPWIN-UHFFFAOYSA-N 443.359 6.328 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2[N+](=O)[O-])c1 2331322914 HWJOLZNGLLIWHW-UHFFFAOYSA-N 445.471 5.726 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)COc2c(C)ccc(C)c2C)cc1 2331351806 AXCNOPVLPCXZCG-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OC(=O)[C@@H]1CCCO1 2331410760 ACFQLSMGCWHBLI-NRFANRHFSA-N 442.939 5.627 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(F)cc2)n1N=Cc1cccc(Br)c1 2331434614 FJSIQLMOEDEMMM-UHFFFAOYSA-N 447.377 5.553 30 10 IKEE Cc1ccccc1CSc1nnc(C2CCC2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2331491853 RVNSGUFKRTWHNG-UHFFFAOYSA-N 441.944 5.590 30 10 IKEE Cc1ccccc1NC(=O)CSc1nnc(C2CCC2)n1N=Cc1ccc(C(C)C)cc1 2331500144 FOWNETNMCVFBKC-UHFFFAOYSA-N 447.608 5.590 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)c1ccncc1 2331708070 VUOJUNSQOFMWRX-UHFFFAOYSA-N 435.907 5.866 30 10 IKEE C=CCc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)c1cccs1 2331780155 PAQLKIKMNIISLL-UHFFFAOYSA-N 446.568 6.526 30 10 IKEE C=C1C[C@H](OC(=O)c2ccccc2)[C@H]2[C@@](C)(CCC[C@@]2(C)CO)[C@@H]1CCC(C)=CCO 2333186703 WGSYIFPPMZUQAN-MUAUJTQOSA-N 426.597 5.312 30 10 IKEE CCOc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)cn1 2363294218 NYHHJHCWMJGHLQ-KRWDZBQOSA-N 432.318 5.249 30 10 IKEE CC1(C)OB(/C=C/c2ccc(N[C@@H]3C[C@@H]4CC[C@H](C3)N4Cc3ccccc3)nc2)OC1(C)C 2365063730 DNVUSUWNBHHABK-QBQZLBCUSA-N 445.416 5.334 30 10 IKEE C=CCCN(Cc1ccccc1)[C@@](C)(C(=O)O)c1cc2cc(Br)ccc2o1 2374073537 GJZRAXGHCDZUFN-JOCHJYFZSA-N 428.326 5.573 30 10 IKEE C=CCC(CC=C)S[C@](C)(C(=O)O)c1cc(Br)c(Br)s1 2380097578 OAGHKPFMECGXJN-AWEZNQCLSA-N 440.222 5.827 30 10 IKEE CC(=O)Oc1ccc(-c2ccc(/C=N/c3ccc(-c4nc5ccccc5s4)cc3)cc2)cc1 1951868 HENRLSVJJPRDNY-RDRPBHBLSA-N 448.547 7.306 30 10 IKEE COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C/C1=Cc3ccccc3O[C@@H]1C)C2=O 2135122 FCNXREDFYNNIRS-FRQJIFLKSA-N 440.451 5.238 30 10 IKEE CCSC1=N/C(=C/c2ccc(OCc3ccccc3)c(Br)c2)C(=O)S1 3000634 RFEPLNLXGVKRFF-LFIBNONCSA-N 434.380 5.752 30 10 IKEE CC(C)[C@@H](C(=O)O[C@@H](C#N)c1cccc(Oc2ccc(O)cc2)c1)c1ccc(Cl)cc1 31516172 DHTRRTYYQFWHPE-BJKOFHAPSA-N 435.907 6.386 30 10 IKEE COc1cccc(/C=C\C(=O)c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)c1OC 33932299 PINYIYIVHZGXKA-KAMYIIQDSA-N 445.902 5.762 30 10 IKEE Cc1ccc(C(=O)/C=C\c2cccc(OC(=O)N(c3ccccc3)c3ccccc3)c2)cc1 34954560 SDBQLCYWBSDTSF-JZJYNLBNSA-N 433.507 7.228 30 10 IKEE COc1ccccc1C(=O)Oc1cccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c1 34954575 VTQKHHIJLZPCFS-XMHGGMMESA-N 434.491 6.478 30 10 IKEE C=CCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccc(F)cc2)cc1 39876402 DSCUMHHMXSMROB-QHCPKHFHSA-N 445.421 5.386 30 10 IKEE COc1cccc(/C=C2\Oc3c(cc4c(c3C)OCN(CCc3cccs3)C4)C2=O)c1 41587535 QFACMBVFZSCOSZ-UUYOSTAYSA-N 433.529 5.076 30 10 IKEE COc1ccc(CCN2COc3ccc4c(c3C2)O/C(=C\c2sccc2C)C4=O)cc1 41661020 AGTDJHFDRTUJOS-XKZIYDEJSA-N 433.529 5.076 30 10 IKEE CCCCCCC[C@@](O)(c1ccc(OCC)cc1)[C@H](CN1CCCCC1)c1ccccc1 53246899 UDPZQYXIOHNEEG-FQLXRVMXSA-N 437.668 6.903 30 10 IKEE O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C/c1ccc(O)c(Br)c1 59566775 OXCBEKAUYUJXAV-NTUHNPAUSA-N 444.137 5.353 30 10 IKEE CCCCCCCCCn1c([C@@H]2CC(=O)N(c3cc(C)ccc3C)C2)nc2ccccc21 102200980 UXPLZDUQVFMCSW-HSZRJFAPSA-N 431.624 6.924 30 10 IKEE CCCCCCCCNc1c(Br)cc(Br)cc1Br 109768913 RXFFZHODCOLKCC-UHFFFAOYSA-N 442.033 6.747 30 10 IKEE C=CCn1c(C(=O)Nc2cc(OC)c(Cl)cc2OC)c(C)c2cc(C(C)C)ccc21 169870079 AUILUDMGKMHNNA-UHFFFAOYSA-N 426.944 6.182 30 10 IKEE CCOc1cc(/C=N\n2c(C)nnc2S)ccc1OCc1c(Cl)cccc1Cl 169909235 FXKGBDVALFJZJH-YVNNLAQVSA-N 437.352 5.042 30 10 IKEE CN(C)c1ccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2C2CCCCC2)cc1 169956746 IGAFVVVSGKVMCB-DEOSSOPVSA-N 443.547 5.145 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2cccc(C)c2)c1 169968274 VHMRABBWCZRDNY-QHCPKHFHSA-N 449.453 5.455 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2cccs2)c(C)c1 169982830 BXPFAHITDJJSTP-QHCPKHFHSA-N 447.556 5.971 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2cccs2)cc1 169985446 BFJCJKGSSHETEJ-HXUWFJFHSA-N 439.920 5.583 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2cccs2)cc1C 169987954 VHUOPAOTJBOZTP-HXUWFJFHSA-N 441.455 5.126 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(Cl)cc2)ccc1F 170056761 VLRBOBXQFIQJPQ-HXUWFJFHSA-N 441.911 5.628 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2ccccc2F)cc1C 170070184 UFPSAAXOTKKQAF-DEOSSOPVSA-N 443.474 5.160 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1c[nH]c2ccccc12)c1ccc(Cl)cc1 170074068 IATYIZDTGZOVPW-QFIPXVFZSA-N 446.865 5.743 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(C)o2)c1 170099672 QEYJOZIJULANDK-QHCPKHFHSA-N 447.487 5.087 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@H]1c1cccc(OC)c1 170121125 IZRVZSKNSLRSKV-HSZRJFAPSA-N 437.536 5.253 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(O)cc2)cc1 170138442 GKHMZUJBDZGRLH-DEOSSOPVSA-N 449.547 5.482 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(C)c1 170147501 YFHXBYAUFHZOHH-HXUWFJFHSA-N 432.347 6.070 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2cccs2)c1 170156713 NIXFIUHSPBYENS-QFIPXVFZSA-N 431.513 5.164 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccs2)c1 170163752 HZAXIGPNNQWRCU-OAQYLSRUSA-N 425.550 5.446 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1cccnc1)c1cccc2ccccc12 170184478 AZLQYNWMCBQZBT-QHCPKHFHSA-N 442.421 5.296 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccccc2)c(C)c1 170223644 GWVNLOVUVNFOKX-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccc2F)cc1C 170247977 AENQYFGBWFGGLZ-HSZRJFAPSA-N 449.453 5.455 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(CC)cc1 170268234 STICVQDWZIBVOV-VWLOTQADSA-N 431.576 5.896 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccccc2C)cc1 170272516 KJZGAFSDXNHFFB-RUZDIDTESA-N 441.527 5.874 30 10 IKEE CCCCCOc1ccc(/C=C(/C(=O)Nc2c(C#N)cnn2C)c2ccccc2)cc1OC 170524655 CDBVEXYMMCPSFB-PXLXIMEGSA-N 444.535 5.049 30 10 IKEE COc1c2c(cc3c1[C@H](CC(/C=C/[C@H]1C(C)=CCCC1(C)C)=N\O)N(C)CC3)OCO2 198271750 SVSPODGIYWQUSW-VWZUVVKJSA-N 426.557 5.112 30 10 IKEE CC1(C)OB(c2ccc3c4ccccc4n(-c4cccc(-c5ccccc5)c4)c3c2)OC1(C)C 221798807 ZEIRTTLTYSQUFC-UHFFFAOYSA-N 445.371 6.750 30 10 IKEE N#Cc1ccc(Oc2cc(Cl)c(Br)cc2Cl)c(F)c1Br 232319017 DYQDVPVLMXTNLG-UHFFFAOYSA-N 439.893 6.321 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(O[C@H](C)CC)cc2)cc1 253578260 YCNRAJRIUCOYCI-ZHRMCQFGSA-N 447.575 5.657 30 10 IKEE Cc1[nH]c2ccccc2c1/C=C1\SC(=Nc2ccccc2)N([C@@H](C)c2ccccc2)C1=O 254826835 OUHSPJKTHNYAMN-RJRDHINESA-N 437.568 6.842 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)ccc1Br)NCC 407599239 POTJSGFVEKKZGH-SJORKVTESA-N 431.802 5.093 30 10 IKEE Cn1cc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c2ccccc21 526487604 CTLJLGIEPPHYPC-DEOSSOPVSA-N 439.902 5.761 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1/N=C\c1cccc(OC)c1OCC 526803467 UWQIFKSIZWRCNW-MYYYXRDXSA-N 442.560 5.342 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1ccccc1C(F)(F)F 526809378 JRXFVADRKZWJJF-ZMFRSBBQSA-N 432.515 6.041 30 10 IKEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1cccc(Cl)c1Cl 526813902 DOYFFTYKLRINHD-UYOCIXKTSA-N 446.190 6.375 30 10 IKEE Clc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccco2)c(Cl)c1 526824664 OBSFBNKZJKORKA-CFRMEGHHSA-N 443.359 5.943 30 10 IKEE CCCCc1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2cccc(Cl)c2)cc1 586219707 FRUFOIXBNAEEJP-UHFFFAOYSA-N 438.980 5.950 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H]1C(C)(C)[C@]2(C#N)Nc1ccccc1Br 693743052 WNRRFXSIHLCJQK-DAESXHAQSA-N 434.378 5.179 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@]1(C#N)CCc2cc(Br)ccc2C1 698370462 LMZUMADHEIQMNO-QFIPXVFZSA-N 433.390 5.770 30 10 IKEE CC(C)[C@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Br)CC1 698456240 MNYNKYPENNIYKM-HTAPYJJXSA-N 435.406 6.689 30 10 IKEE CCOc1ccccc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 698459149 RGDONZKHSACKGF-SFHVURJKSA-N 431.330 5.854 30 10 IKEE Cc1sc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)cc1Br 698963938 GDYLHPKWLNEUMK-OAHLLOKOSA-N 425.323 5.965 30 10 IKEE CC[C@@H](/C=C/[C@H](C)[C@@H]1CC[C@@H]2[C@H]3C[C@@H](O)C4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C)C(C)C 1082880840 FFKIQLXJMQUBQZ-FAPFBLPISA-N 426.685 6.980 30 10 IKEE Cc1cccc(Cl)c1OCc1ccc(C=NNc2nc(SCc3ccco3)n[nH]2)o1 1083977409 XWCDQINVIPKSLQ-UHFFFAOYSA-N 443.916 5.270 30 10 IKEE O=[N+]([O-])c1cccc(C=Nc2ccc3nc(SCCOc4ccccc4)sc3c2)c1 1084489117 VNXBATPDBQLDNJ-UHFFFAOYSA-N 435.530 6.126 30 10 IKEE C[P@@](=O)(Nc1ccccc1)O[C@@H](c1ccccc1)C(F)(F)C(F)(F)OC(F)(F)F 1088749449 OWWRQOUZYINNQG-MMEWPQADSA-N 445.271 6.444 30 10 IKEE CCCCCCOc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CS)cc1 1614621916 ZJXTYPBIMSMHIT-ISKFKSNPSA-N 427.610 5.928 30 10 IKEE C=C1S/C(=N/c2ccccc2Cl)N(C(=O)c2c(Cl)sc3ccccc23)C1(C)C 1615947828 AVZYPMDHVRWXGM-HIXSDJFHSA-N 447.412 7.377 30 10 IKEE C=CCN1C(=O)[C@H](Cc2cccc(Cl)c2Cl)SC1=Nc1ccc(C(=O)O)cc1 1772727890 WVWPCBSNEHXFMH-INIZCTEOSA-N 435.332 5.052 30 10 IKEE CCN1C(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)SC1=Nc1cccnc1 1772730444 ABKCLRMVCBHTIQ-NEAWXCLQSA-N 449.963 5.938 30 10 IKEE COc1ccc(/C=C2/SC(=NN=C/C=C/c3ccccc3)N(Cc3ccco3)C2=O)cc1 1772759681 WIDWOBGEDGILQO-UNSUYVMBSA-N 443.528 5.460 30 10 IKEE Cc1cccc(NC(=S)N/N=C\c2cn(-c3ccccc3)nc2-c2ccc(C)cc2C)c1 1857811300 NMCKOMNIHXKTPI-YUMHPJSZSA-N 439.588 5.785 30 10 IKEE CCCOc1ccc(CC(=O)Nc2cccc(C(=O)Nc3ccccc3C#N)c2)cc1C 1859118892 PFWMHMQQSZZVJA-UHFFFAOYSA-N 427.504 5.089 30 10 IKEE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)Nc1oc2c(c1C#N)CCCC2 1859763838 SLTFVTWMLQXYKJ-UHFFFAOYSA-N 426.303 5.960 30 10 IKEE O=C(CCNCc1ccc(F)c(F)c1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1860711890 SPMMGNVCZJTFKA-UHFFFAOYSA-N 426.307 5.121 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)c1ccc(Cl)c(Cl)c1 1861045609 RFSDGHTYLHLKTO-FQEVSTJZSA-N 429.432 6.149 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)c1ccc(OC)c(OC)c1 1861061187 MFJADSNEJWESKN-OAQYLSRUSA-N 434.621 5.249 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)/C=C/c1ccc(C)cc1 1861094334 AFWVHVQBYGXQPJ-XPGGBCAFSA-N 438.587 5.352 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2ccc(C(=O)O)cc2)cc1 1862393228 QIOKKDCAENVRFZ-OPAMFIHVSA-N 435.520 5.104 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@@H]1c1ccccc1)c1ccccc1Cl 1862429736 UAGQSYGQEGPSKP-HSZRJFAPSA-N 431.919 5.551 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc2ccccc12 1862449697 QKKCYSJTOKEBTB-XMMPIXPASA-N 447.962 6.652 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2F)cc1 1862474903 YITNGRAQOABMTK-BVZFJXPGSA-N 443.518 6.036 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(Cl)cc1 1862526978 MEQZTAYNGZMBNX-KRWDZBQOSA-N 434.717 5.089 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cc(Cl)cc(Cl)c2)c1 1862562320 CPEGMPYHCIERLF-FQEVSTJZSA-N 445.346 5.487 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc2ccccc12 1862584984 MAHVALPGLIIVSX-FQEVSTJZSA-N 426.299 5.745 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862592700 IOKNCKRNDMBGPB-BSDZUQITSA-N 447.575 5.847 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(Cl)c2)cc1 1862616702 CZYDRXGWBIWZGQ-JOCHJYFZSA-N 449.934 6.009 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(Cl)cc1 1862628155 WZGFGNPOUQJMEY-OAQYLSRUSA-N 441.911 5.227 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@@H]2c2ccc(C)cc2)cc1 1862687211 HVAJUZNVLOJBAI-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862717373 BLDDYOUXVRWRNE-NYHFZMIOSA-N 430.460 5.125 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1c(Cl)cccc1Cl 1862744086 JBFVFBXMTLOLHG-GOSISDBHSA-N 449.290 5.280 30 10 IKEE CCOc1ccccc1NC1=C(c2ccc(Cl)cc2)C(=O)N(c2ccccc2C#N)C1=O 1862803854 JOXWIOXMNTXYIR-UHFFFAOYSA-N 443.890 5.007 30 10 IKEE CCCCCCCCNC1=C(c2ccc(OC)cc2)C(=O)N(Cc2ccc(F)cc2)C1=O 1863669500 QZRMQQYIAVMAEU-UHFFFAOYSA-N 438.543 5.065 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)/C(=C\c2ccccc2)c2ccccc2)n(C(C)(C)C)n1 1870000033 CSFSJOMLFTXOJX-ATJXCDBQSA-N 441.579 5.391 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)cc2Cl)c(=O)cc1CN1C[C@H](C)C[C@@H](C)C1 1870346278 HOXVBKZXWHFNMD-IAGOWNOFSA-N 435.395 5.398 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCC=C(C)C)cn1CCc1c[nH]c2ccccc12 1870611713 WSGIZLDCUGCCOQ-UHFFFAOYSA-N 431.580 5.091 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCCOc2cccc(C)c2)cn1CCCCC 1870782311 MGCFJTBXTHUUMJ-UHFFFAOYSA-N 438.612 5.369 30 10 IKEE C=CCn1cc(OCCOC(C)C)c(=O)cc1CNc1ccc(OCCCCCC)cc1 1870986735 IUUZCESIPJTZDN-UHFFFAOYSA-N 442.600 5.409 30 10 IKEE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)o2)C3=O)cc1OC 1871366929 TUILNZVRXNXWPP-RQXPBMLRSA-N 446.455 5.149 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2)C3=O)cc1OC 1871367373 IJDWVMUYAUATBE-JLPGSUDCSA-N 444.483 5.167 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccccc4Cl)ccc3C2=O)c1 1871404199 JAEJWWAGOIEOTE-GEWRUKCFSA-N 433.891 5.671 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OCC(=O)Nc3ccc(Cl)cc3F)ccc2C1=O 1871446956 KFBLGDDOMUMEHQ-GRSHGNNSSA-N 443.883 5.483 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871450954 WNGHQBKTUCNQDZ-APQFFPOMSA-N 441.527 6.142 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1cccs1 1872529185 CWEBGXAJMLNPQG-HXUWFJFHSA-N 434.627 5.129 30 10 IKEE COc1c(Cl)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)c2ccc([N+](=O)[O-])cc2)n1 1872778271 HQMNTCNDYLCUCH-AWEZNQCLSA-N 448.287 5.524 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(Nc2cccc(C#N)c2)=C(c2c(C)cc(C)cc2C)C1=O 1873328223 UPOKDZPQEUNRGB-HSZRJFAPSA-N 443.591 6.034 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccccc2OCC)=C(c2ccccc2)C1=O 1873413056 JNZGKVBJXLLKTN-UHFFFAOYSA-N 448.607 6.418 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc2c(NCC(C)C)ncnc21 1873603170 XGKZTEHMBZUFNM-UHFFFAOYSA-N 441.535 5.730 30 10 IKEE CCCSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1ccccc1C 1874206463 CZZWNLODXNDQFI-FSJBWODESA-N 435.380 5.857 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1cc(C)ccc1O 1874214418 LKMWCVXZMYVMBJ-BUVRLJJBSA-N 442.972 5.117 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCc2ccccc2)n1/N=C/c1ccco1 1874228278 BHWYEEMWMZYUMY-PCLIKHOPSA-N 446.532 5.189 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccccc1F 1874232417 VJKCEUDHRJFZQV-JVWAILMASA-N 430.552 5.906 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1ccccc1Cl 1874250073 TYBYSLRYSGZKJU-LFVJCYFKSA-N 426.973 5.412 30 10 IKEE Cc1ccc(OCCCc2nnc(SCCc3ccccc3)n2/N=C/c2ccco2)cc1 1874252320 LSOIMGMQKQKIPD-LGUFXXKBSA-N 446.576 5.408 30 10 IKEE CCCc1ccc(OCc2nnc(SCc3ccc(C)cc3)n2/N=C/c2ccco2)cc1 1874256905 ZEFJZFUFFDKGOA-WGOQTCKBSA-N 446.576 5.886 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccccc1Cl 1874265014 HLLXOTGVBBBZLS-FOKLQQMPSA-N 433.364 5.714 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OCC)cc2)n1/N=C/c1ccc(C(C)C)cc1 1874303877 WALNSRYMISQUDF-WGOQTCKBSA-N 434.609 5.941 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc(OC)c2)n1/N=C/c1ccc(OCC)cc1 1874310187 JGSDYKYZXARELO-PCLIKHOPSA-N 436.581 5.021 30 10 IKEE Cc1ccc(CSc2nnc(COc3cccc(C)c3C)n2/N=C/c2ccc[nH]2)cc1 1874322172 DBNRJZNGQCQVDR-VULFUBBASA-N 431.565 5.285 30 10 IKEE CCCOc1cccc(/C=N/n2c(Cc3ccc(Cl)cc3)nnc2SCCC)c1 1874342692 DIYSPVLPVXVUKV-LFVJCYFKSA-N 428.989 5.695 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3F)n2/N=C/c2cccc(F)c2)cc1C 1874358704 VRAAYWNASGHMHL-RWPZCVJISA-N 448.542 5.938 30 10 IKEE CCOc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccccc2C)cc1 1874406544 RAAXAJKDGREXSH-OVVQPSECSA-N 448.636 6.283 30 10 IKEE O=[N+]([O-])c1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 1874416531 VAAQZEBZKBWIDT-MFKUBSTISA-N 447.495 5.091 30 10 IKEE O=[N+]([O-])c1ccc(/C=N/n2c(SCCc3ccccc3)nnc2-c2cccs2)cc1 1874422972 OJKILFOEHZAREO-PXLXIMEGSA-N 435.534 5.132 30 10 IKEE Cc1ccc(CSc2nnc([C@H]3CCCO3)n2/N=C/c2ccc(Cl)c(Cl)c2)cc1 1874442140 UFDPLJBKEXHPOR-QVHMZZSFSA-N 447.391 5.919 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccco3)n2/N=C/c2cccnc2)cc1Cl 1874468411 HDZXLIVOKYWCIP-FOKLQQMPSA-N 430.320 5.414 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCC3)n2/N=C/c2ccccc2OC(C)C)c1 1874496191 ZMLLFVROIYWGHZ-CVKSISIWSA-N 434.609 6.124 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1c(Cl)cccc1Cl 1874504859 DYLFMHKNMMCZLW-FSJBWODESA-N 448.379 5.150 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2ccccc2Cl)cc1C 1874509977 FGLNLIRQOBTQGX-WYMPLXKRSA-N 441.988 5.285 30 10 IKEE CC(C)c1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1cc(Cl)ccc1O 1874514958 NZNYVXYANNZZDA-NUGSKGIGSA-N 439.343 5.728 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc(F)cc1F 1874516682 CJNVFRLSUATTRJ-PGGKNCGUSA-N 441.334 6.161 30 10 IKEE CCc1nnc(SCC(=O)Nc2ccccc2C)n1/N=C/c1ccc(Cl)c(Cl)c1 1874524642 YLDRGTCWKYMFQD-FOKLQQMPSA-N 448.379 5.069 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CC)nnc2SCc2c(F)cccc2Cl)cc1 1874529257 ZJQWGMWGFDEELK-AFUMVMLFSA-N 446.979 5.986 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c1OCCc1ccccc1 1874571811 HNWOCYKKPJXQPR-BUHFOSPRSA-N 446.974 6.745 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 1874575664 ZQWNGGMIKLJAET-VZUCSPMQSA-N 428.271 6.377 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(F)cc2F)c1 1874576469 OPQZWWLYTBGLJG-WEVVVXLNSA-N 441.861 5.840 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1OCc1ccc([N+](=O)[O-])cc1 1874599447 NEVSAGWWBLHWFX-YRNVUSSQSA-N 447.487 5.704 30 10 IKEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1OCC 1874601614 UAAKNTLCAAMTPF-MHWRWJLKSA-N 443.543 5.553 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OCc1ccccc1F 1874604173 YWTYUONPHXHGCS-RVDMUPIBSA-N 430.519 6.578 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1)NCc1ccco1 1874605882 KIAHNPDOBCEORL-BJMVGYQFSA-N 430.287 5.178 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccc(F)cc1 1874606200 BZYZYESYKYYCJB-ONNFQVAWSA-N 431.290 6.616 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OCC(=O)Nc1cc(C)cc(C)c1 1874611154 DCFUGXVBQPWMLW-PKNBQFBNSA-N 445.515 5.234 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1 1874624180 PTBILVVKDYHMHJ-OVCLIPMQSA-N 425.355 7.592 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1 1874624182 PTSXULUGKZQXSY-WUXMJOGZSA-N 425.355 7.592 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 1874625335 YDONITRQTOLESM-NYYWCZLTSA-N 431.290 6.616 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OCc1ccc(F)cc1 1874629300 WHUUYGGZHKYUSQ-FMIVXFBMSA-N 448.534 6.552 30 10 IKEE CCCOc1c(Br)cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1OCC 1874630629 LTUINNBDVSKOAX-CMDGGOBGSA-N 447.369 6.158 30 10 IKEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3c(C)cc(C)cc3C)cc2Cl)o1 1874634233 RETBBVGYGUYEIF-VMPITWQZSA-N 438.907 6.120 30 10 IKEE O=C(Cc1ccc(Br)cc1)Oc1cccc(/C=C/C(=O)c2ccc(F)cc2)c1 1874709597 JCNGLQCZDLZPRP-AWNIVKPZSA-N 439.280 5.632 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OC(=O)c1cc(Cl)ccc1OC 1874709852 LOCSYPZOCFTRNQ-XCVCLJGOSA-N 440.854 5.612 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc(OC)c3)cc2OCC)cc1 1875101718 YLRNRWOXXYZRGU-OQLLNIDSSA-N 446.499 5.608 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3Cl)cc2)cc1 1875111845 QSFAWIGTUJHPRA-QGOAFFKASA-N 448.946 6.563 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(OC)cc1 1875116189 PBTMZEIQYOEVBR-LNKIKWGQSA-N 447.443 5.117 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2)cc1 1875122518 CZUUOAYVSXSZDX-GIJQJNRQSA-N 448.946 6.563 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC(=O)c1cc2ccccc2n1C 1875122885 MROONGXDUNPXEJ-ZRDIBKRKSA-N 445.902 5.956 30 10 IKEE CC(C)COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2)cc1 1875123206 WVKYPIYMEKKSBU-FZSIALSZSA-N 434.919 6.490 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H]3CCCO3)cc2)cc1OCCC 1875123917 KKKRRPNCGFXMOW-GPOLZQFCSA-N 438.520 5.245 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3c(C)cccc3C)cc2)cc1 1875137261 DQUXJVNNTHDZEV-LICLKQGHSA-N 444.527 5.973 30 10 IKEE O=C(COc1ccc(Cl)cc1)Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1 1875153940 GLPYQCUYDYORJD-LICLKQGHSA-N 442.898 6.374 30 10 IKEE O=C(Cc1ccc(F)cc1F)Oc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1Cl 1875161950 OVYHIYRILHFKAA-LREOWRDNSA-N 448.799 5.941 30 10 IKEE Cc1ccsc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] 1875162887 VFLYMVRNHQYGAV-QHHAFSJGSA-N 429.400 5.358 30 10 IKEE O=C(Nc1ccc(C(F)(F)F)c(Cl)c1)c1cccc(C(F)(F)F)c1C(F)(F)F 1889876084 SWRAZHJWRPKKFI-UHFFFAOYSA-N 435.673 6.649 30 10 IKEE N#Cc1cccc(C(=O)NCCSc2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)c1 1891769756 BBEITDAEGWDQGP-UHFFFAOYSA-N 431.948 5.882 30 10 IKEE C=CCN(C(=O)OC(C)(C)C)[C@]1(C#N)[C@@H](CNC(=O)OC(C)(C)C)CCCC12CCC2 1924817914 LYJWZUTZOWKFEX-HOYKHHGWSA-N 433.593 5.167 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@@](C)(NC(=O)OC(C)(C)C)C(F)F)NCCC 1981258618 GFGPOQLVPDJPJZ-WMZHIEFXSA-N 426.548 5.066 30 10 IKEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](N(CCNC(=O)OC(C)(C)C)Cc2ccccc2)C1 2006128864 LJSZJGZCNMKGHZ-ZLNRFVROSA-N 427.633 5.758 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@H](C#N)[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2017960063 ZNKYPRSLIFPLPG-FUHWJXTLSA-N 449.617 5.413 30 10 IKEE CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2033644616 CFUKTJVKKYOBEL-FXAWDEMLSA-N 449.567 5.646 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C1 2041560871 VWMOGYJRNRFMMY-XDHUDOTRSA-N 447.551 5.497 30 10 IKEE CCCCCCOc1ccc(C=CC(=O)c2ccc(OC)c(CSCC(=O)O)c2)cc1 2042447087 ZHYWUMBYTAUXCJ-UHFFFAOYSA-N 442.577 5.868 30 10 IKEE CC(=O)N(c1nc(C=CC(=O)c2cc(Cl)ccc2Cl)cs1)c1cccc(C)c1C 2042448500 JWKVXIWFKUSJAL-UHFFFAOYSA-N 445.371 6.647 30 10 IKEE CC1(C)OB(c2cnc(Oc3ccc(OCc4ccccc4)cc3)c(Cl)c2)OC1(C)C 2052499140 OPGXIKBJVNBAPU-UHFFFAOYSA-N 437.732 5.406 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H]3C[C@H](OCc4ccccc4)C[C@@H]32)cc1 2070328078 OTWOIRBNFVMCJV-YQNORIIPSA-N 432.564 6.014 30 10 IKEE N#Cc1cnc2c(-c3c(F)c(F)c(F)c(F)c3F)c(C3CCCCC3)nn2c1Cl 2081472810 BDZCTIOGFKCMAK-UHFFFAOYSA-N 426.776 5.665 30 10 IKEE Oc1c2c(nc3c(-c4ccc(C(F)(F)F)c(F)c4)c(C(F)(F)F)nn13)CCSC2 2081478624 QEEBHGKYSHLGMW-UHFFFAOYSA-N 437.340 5.068 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)C1(C#N)[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C 2099264697 AKZNDKMGMHFXDJ-SFTDATJTSA-N 449.595 5.487 30 10 IKEE CC[C@@]1(CNc2cc(Br)c(C#N)cc2F)CCCN1C(=O)OC(C)(C)C 2106046365 YDXDYXIJJXWPAU-IBGZPJMESA-N 426.330 5.051 30 10 IKEE CC[C@@H]1C[C@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)C[C@@](C#N)(NC(C)C)C1 2118760234 GYPMCONLUFDGDP-IGBKUBFESA-N 446.683 5.460 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H]3C[C@@H](OCc4ccccc4)C[C@@H]32)c1 2133970862 XJQJELMVLBYJKX-YQJHKJFNSA-N 448.563 5.714 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](CNc2ccc(Br)cc2C#N)(C(C)(C)C)C1 2162291624 OPGCZJJBPUUNNC-NRFANRHFSA-N 436.394 5.406 30 10 IKEE CC1(C)CCC[C@@H]([C@](C)(C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)C1 2168591578 KEEQIWOZRCQGLD-ZHRRBRCNSA-N 435.406 6.689 30 10 IKEE CC(C)N(C[C@@H]1CCCN(c2cc(Br)cc(C#N)c2)C1)C(=O)OC(C)(C)C 2174815506 UIYMLEHWTNHECG-MRXNPFEDSA-N 436.394 5.183 30 10 IKEE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@H](CNc2cc(Br)ccc2C#N)CC1 2178646851 ZAHIEEQNSLNADW-OYOVHJISSA-N 440.357 5.156 30 10 IKEE C=C1CCC(C[C@H](NCC)c2ccc(Br)cc2I)CC1 2207265358 QAMWZEXWXUOTLR-KRWDZBQOSA-N 448.186 5.841 30 10 IKEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)C#Cc2ccccc2Br)cc1 2235717207 IUYDINNMCXNJAA-OAHLLOKOSA-N 428.326 5.269 30 10 IKEE C=C1C[C@H]1C[C@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2262969025 JEKXTZVBKBGODT-BDYUSTAISA-N 429.560 5.827 30 10 IKEE N[C@H](C#Cc1ccc(Br)cc1)c1csc(Br)c1Br 2264193832 QFUBQSNSTVGEGB-LLVKDONJSA-N 449.993 5.087 30 10 IKEE CC1(C)OB(c2ccc3nccc(N(Cc4ccccc4)CC4CCC4)c3c2)OC1(C)C 2269889382 ISQHCEMVUBWJJU-UHFFFAOYSA-N 428.385 5.341 30 10 IKEE C=CC[C@@]1(COc2ccc(Br)cc2N)CCCN(C(=O)OC(C)(C)C)C1 2272239278 VTMDQRYIDWPZJI-HXUWFJFHSA-N 425.367 5.004 30 10 IKEE CC1(C)OB(c2cscc2C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)OC1(C)C 2282053723 JVSGRDSAQCFSGZ-UHFFFAOYSA-N 432.565 5.260 30 10 IKEE CCOc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2ccccc2)cc1 2296256039 RWRNKYRPZNKWEG-VWLOTQADSA-N 425.484 5.268 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H](NC(=O)OC(C)(C)C)c1cccs1 2296294148 QOLGBRZTBRRZSO-MJGOQNOKSA-N 449.414 5.106 30 10 IKEE COc1cccc(COc2ccc3c(c2)OC(=CC2=Cc4ccccc4O[C@H]2C)C3=O)c1 2296844822 KLOVVVTVQKMDMX-KRWDZBQOSA-N 426.468 5.598 30 10 IKEE C[C@]12CC[C@H]3[C@@H](CCC4=CC(=NNc5cccc(Cl)c5Cl)CC[C@@]43C)[C@H]1CCC2=O 2297329293 HESAJDXBMHQLJH-PUBYQZPFSA-N 445.434 7.293 30 10 IKEE C#CCOc1c(Cl)cc(C=C2SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 2297342242 ONLPZLXFPNNZMR-UHFFFAOYSA-N 434.300 5.255 30 10 IKEE CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC(=Cc5cn(C)nc5C)C(=O)[C@]4(C)CC[C@@H]32)C1 2297556274 DXRJBJUDWMWZPC-ADIOIALBSA-N 436.596 5.185 30 10 IKEE C[C@@]12CC[C@@H]3[C@@H](CC[C@@H]4CCCC[C@]43C)[C@@H]1CCC2=NN=CC=Cc1ccc([N+](=O)[O-])cc1 2313652950 PZDUXRAQOKZFJJ-HYFBRUKBSA-N 447.623 7.468 30 10 IKEE N#Cc1nc([C@H]2C[C@@H]2c2ccccc2)oc1NN=Cc1ccc(OCc2ccccc2)cc1 2320837097 KEOARFBJLHBNLJ-RPWUZVMVSA-N 434.499 5.842 30 10 IKEE CCOc1cc(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CC2)ccc1O 2320872006 LJXKLMGHWLRISO-UHFFFAOYSA-N 444.560 5.588 30 10 IKEE Cc1c(OCc2ccccc2F)ccc2c1OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2321796507 WZMYBQZTHFIFRO-UHFFFAOYSA-N 429.274 6.636 30 10 IKEE CCCCCN1COc2ccc3c(c2C1)OC(=Cc1ccc(-c2ccccc2)cc1)C3=O 2322047725 AERPQBDZMCVGHJ-UHFFFAOYSA-N 425.528 6.312 30 10 IKEE COc1cccc(C=C2Oc3c(ccc4c3CN(CCC3=CCCCC3)CO4)C2=O)c1OC 2322106793 SLFOBTOYMJQBDS-UHFFFAOYSA-N 447.531 5.362 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc1OCc1cccc(F)c1 2323231698 FGVUIGHOYWOMCV-UHFFFAOYSA-N 448.534 6.750 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1OCc1ccc(Cl)cc1 2323247764 KWEIKCBYBNJNRX-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCc3cc(C)ccc3C)c2)c(OC)c1OC 2323341272 KUHYSPIBRXHALG-UHFFFAOYSA-N 432.516 5.804 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2)c([N+](=O)[O-])c1)c1ccc(Br)cc1 2323584993 VZDDMXDAASORAJ-UHFFFAOYSA-N 438.277 5.832 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)cc(Cl)c1OCc1ccccc1 2323607351 DBPNWTMGJVXXIP-UHFFFAOYSA-N 427.327 6.867 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1ccc(F)cc1F 2323721388 PCSFADDWOGHWBA-UHFFFAOYSA-N 429.806 6.002 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cn(C)c4ccccc24)C3=O)c1 2323800665 KSNHWWZRDTUBBP-UHFFFAOYSA-N 439.467 5.412 30 10 IKEE CCOc1ccccc1C=C1Oc2c(CN(C)Cc3ccccc3)c(O)cc(C)c2C1=O 2324077571 ISSLJZVVKCCSOH-UHFFFAOYSA-N 429.516 5.348 30 10 IKEE CN(C)c1ccc(C=C2Oc3c(ccc(O)c3CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)C2=O)cc1 2324097532 OPFVHBCZRPHXNR-NGOKVRLYSA-N 446.591 5.475 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc(OC)c1OCC(=C)C 2324288206 CIGWFMOMAQCXPP-UHFFFAOYSA-N 440.539 7.067 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4c(C)cc(C)cc4C)ccc3C2=O)cc1 2324331582 NCYZTPLTYVNSIW-HXUWFJFHSA-N 441.527 5.942 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OCC(=O)Nc2c(C)cccc2C)cc1 2324358701 YNKYDBZUMJCZCM-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1 2324376049 YURLRIVDMHTSSN-QGZVFWFLSA-N 447.918 5.979 30 10 IKEE N#C[C@@H](C(=O)C=Cc1ccc(Cl)cc1Cl)c1nc(-c2cccc(Cl)c2)cs1 2324475048 KLIUHBPFKVJKCF-INIZCTEOSA-N 433.747 6.660 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCCCCOc4ccc(C)cc4)ccc3C2=O)cc1 2324586366 ZFEVMIYLWKFNPO-UHFFFAOYSA-N 428.528 6.412 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(Cl)c2)cc(Cl)c1OCCCO 2324612015 FSROJCLGOWZNTA-UHFFFAOYSA-N 425.308 5.058 30 10 IKEE COc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1 2324693522 GQSVJEFYZVULMI-JOCHJYFZSA-N 446.572 6.149 30 10 IKEE Cc1c(OCC(=O)N[C@H](C)c2ccccc2)ccc2c1OC(=Cc1ccc(F)cc1)C2=O 2325019650 PIPBZNDXFBNICW-QGZVFWFLSA-N 431.463 5.007 30 10 IKEE COc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)[C@@H](C)c1ccccc1 2325675263 GZTWAROICSEUNA-KRWDZBQOSA-N 431.444 5.209 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(OC(C)=O)cc3)c2)cc1 2325704534 VZQKQAIRKPYRPD-UHFFFAOYSA-N 444.483 5.298 30 10 IKEE O=C(CC12CC3CC(CC(C3)C1)C2)Oc1cccc(C=CC(=O)c2ccc(F)cc2F)c1 2325726233 ILLMAPPWDJRPCH-UHFFFAOYSA-N 436.498 6.373 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)[C@H](C)c3ccccc3)c2)cc1 2325738996 MZIRWHNHIKYVQP-HXUWFJFHSA-N 444.527 6.089 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cc(OC)cc(OC)c3)c2)cc1 2325739274 WKDAZOCHFALHTL-UHFFFAOYSA-N 446.499 5.608 30 10 IKEE COc1cccc(CCC(=O)Oc2cc(C=CC(=O)c3cc(C)ccc3C)ccc2OC)c1 2325740112 ZMSOMCLHNDTIEE-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OC(=O)c3cc4ccccc4n3C)c2)c1 2325744627 OPISSKMQHQSWNY-UHFFFAOYSA-N 441.483 5.311 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1OC(=O)[C@H](C)c1ccccc1 2325756605 CSUAEYCBEYECTI-JOCHJYFZSA-N 442.555 6.534 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc1OC(=O)CCCSC 2325763780 BDLYJYNESSTLQQ-UHFFFAOYSA-N 448.968 5.610 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)c2ccc(N(C)C)cc2)c1 2325782472 PJSDNRGXJZAQDN-UHFFFAOYSA-N 435.907 5.530 30 10 IKEE CCSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1ccc(C(C)C)cc1 2325951312 PFIPVUYPKZOHEB-UHFFFAOYSA-N 443.414 5.749 30 10 IKEE CCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1c(C)n(C)c2ccccc12 2326823537 VLQVUUWEMLXWIC-UHFFFAOYSA-N 448.552 5.113 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccc(Cl)cc3)n2N=Cc2cccnc2)cc1 2328007982 IUWAQUUTMAFCGU-UHFFFAOYSA-N 447.995 5.595 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2N=Cc2ccc(OC)c(OC)c2)CC1 2328180517 DVXJNPBDNWDDJR-UHFFFAOYSA-N 444.645 6.144 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3cccc(C)c3)n2N=Cc2ccccn2)cc1 2328564404 GWSICDDKFKSQMG-UHFFFAOYSA-N 443.576 5.146 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccc(C)c(C)c3)n2N=Cc2ccccc2)c1 2328933371 UGLWJNMVGFEVJE-UHFFFAOYSA-N 440.616 6.163 30 10 IKEE Clc1cccc(C=Nn2c(CCOc3ccccc3)nnc2SCc2ccccc2)c1 2329207046 SGYQKNVBMJZJET-UHFFFAOYSA-N 448.979 5.728 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2cccc3ccccc23)n1N=Cc1ccccn1 2330124362 WQJFAMRMGGRCOR-HXUWFJFHSA-N 449.583 6.153 30 10 IKEE O=C(CCCOc1ccccc1)Oc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1 2330678466 QEZZOYMCTPCTKK-UHFFFAOYSA-N 440.539 6.226 30 10 IKEE Cc1ccc(CSc2nnc(CC(C)(C)C)n2N=Cc2ccc(C(F)(F)F)cc2)cc1 2330800295 QNODXXOFLNTHFY-UHFFFAOYSA-N 446.542 6.368 30 10 IKEE CCOc1c(C=Nn2c(CC(C)(C)C)nnc2SCc2ccccc2)cccc1OC 2330842152 HSYCZSMQSYALII-UHFFFAOYSA-N 438.597 5.449 30 10 IKEE Cc1ccccc1C=Nn1c(CC(C)(C)C)nnc1SCC(=O)N[C@@H](C)c1ccccc1 2330874630 LDERQHRWKGAUTE-IBGZPJMESA-N 449.624 5.027 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 2331017908 SDZMTCLEVPIWNK-UHFFFAOYSA-N 445.899 6.029 30 10 IKEE Brc1ccc(C=Nn2c(SCc3ccccc3)nnc2C2CCCC2)cc1 2331069258 QWHCZBZDBAUURY-UHFFFAOYSA-N 441.398 5.873 30 10 IKEE Cc1cccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C2CCCC2)c1 2331101289 MWWPWNCIZZAJHP-UHFFFAOYSA-N 428.964 6.211 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2-c2ccco2)cc1OC 2331166106 QLEJPWMPEJAXCS-UHFFFAOYSA-N 434.521 5.038 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)COCc3ccccc3)c([N+](=O)[O-])c2)ccc1F 2331340203 PTPVFUDVMPPASR-UHFFFAOYSA-N 449.434 5.061 30 10 IKEE CC(C)Cc1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1ccc(C(C)C)cc1 2331459767 TYMHCNSSOIJCSB-UHFFFAOYSA-N 441.645 5.023 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C2CCC2)cc1 2331503117 UUPFNUGCJKATRC-UHFFFAOYSA-N 435.553 5.752 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(Br)cc2)cc1)c1ccc(F)cc1 2331517532 GHHRXYAWKOSDHS-UHFFFAOYSA-N 425.253 5.704 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)c1cncc(C)c1 2331571045 FBQPNIRYZQZJOU-UHFFFAOYSA-N 449.453 5.521 30 10 IKEE COc1ccc(OC)c(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C(C)C)c1 2331716272 IRUILFJQNHLDNG-UHFFFAOYSA-N 448.951 5.386 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1ccc(C)c(C)c1 2331780213 DGSBDGQJNMZDBU-UHFFFAOYSA-N 428.528 6.353 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)cc(OC)c1OC(=O)C(C)C 2331869962 YQDSATKBPSDFMW-UHFFFAOYSA-N 444.527 6.043 30 10 IKEE COc1cccc(C=NNc2oc(-c3cccs3)nc2C#N)c1OCc1cccc(C)c1 2331938120 GQGQJLSVKHHTMI-UHFFFAOYSA-N 444.516 5.617 30 10 IKEE CCCCCCC[C@H](NC)c1c(Cl)cc(Br)c(F)c1Br 2362233417 ADNPYXOCBHDLEA-LBPRGKRZSA-N 429.599 6.625 30 10 IKEE CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1c[nH]c2ccccc12 5632729 XSKFMJMQCSSOAH-VWLOTQADSA-N 427.548 5.967 30 10 IKEE C(=N/n1c(-c2ccccc2)cs/c1=N\C[C@H]1CCCO1)\c1ccc(-c2ccccc2)cc1 12566030 IXAWCLZQZXUWLP-ANZKPETPSA-N 439.584 5.846 30 10 IKEE C=C[C@@](C)(O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC1CC1 36308820 ODKIGSVAUXXIJA-AREMUKBSSA-N 435.543 5.168 30 10 IKEE C=CCC[C@H](O)CN(CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1 36346152 GJUPBECMBSSCDT-DEOSSOPVSA-N 449.595 5.057 30 10 IKEE C=CCN1C(=O)c2[nH]nc(-c3cc(C)cc(C)c3O)c2[C@H]1c1ccc(Cl)c(Cl)c1 39912073 LCAFAEZYCPFHGQ-HXUWFJFHSA-N 428.319 5.437 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1cccc(OC)c1 40093580 MILJLHGFFYFQKE-HSZRJFAPSA-N 437.536 5.169 30 10 IKEE C=CCc1ccc(OCCCCn2c([C@@H](C)NC(=O)CC)nc3ccccc32)c(OC)c1 40188759 OSDVMNPEZGXXSH-LJQANCHMSA-N 435.568 5.220 30 10 IKEE C=CCc1ccccc1OCCCn1c(CCCCCNC(=O)/C=C/C)nc2ccccc21 40219476 ZDODMWSMZDGVDI-LNKIKWGQSA-N 445.607 5.639 30 10 IKEE Cc1ccc(OCC(=O)Nc2sc(=S)c3c(c2C#N)CC[C@@H](C)C3)c(C(C)(C)C)c1 41014477 LAQWISHHKRSBRO-CQSZACIVSA-N 440.634 6.097 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OC(=O)c4ccccc4C)c3C)C2=O)c1OC 41284755 OBBKNVQGAZDINL-HMAPJEAMSA-N 430.456 5.156 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2)S/C(=N/N=C\c2ccccc2F)N1Cc1ccco1 47138885 PFHMQTSZFBNIPY-QCTNQPINSA-N 439.899 5.579 30 10 IKEE COc1ccc(C(=O)/C=C\c2ccc(OCc3ccccc3)cc2)cc1CSCC(=O)O 97996764 DFRCOIFDFIWMRV-LCYFTJDESA-N 448.540 5.488 30 10 IKEE CCCCCCCOc1ccc(NCCNc2ccc(OCCCCCCC)cc2)cc1 100054337 WNZIOSWNHKGNPJ-UHFFFAOYSA-N 440.672 7.909 30 10 IKEE CCCCCCCCCCCCCO[P+](=O)OCCCCCCCCCCCCC 103647756 ACMVLJBSYFHILY-UHFFFAOYSA-N 445.689 10.299 30 10 IKEE CCCCCCOc1ccc(/C=N\n2c(S)nnc2CCc2ccccc2)cc1OC 169911414 CFARYDYIWWWTCH-BWAHOGKJSA-N 438.597 5.202 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(F)c(C)c2)=C(O)C(=O)N1c1ccc(C)cc1 169944739 OSAJBWNFIARXLC-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccc(O)cc2)cc1C 169960172 PLUBZNAJTCPEOM-HSZRJFAPSA-N 431.463 5.239 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2cccnc2)cc1 170006253 JKLUWSBCSKBEIG-JOCHJYFZSA-N 448.906 5.225 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 170054482 WLCDVWNLKJKXHK-QFIPXVFZSA-N 433.891 5.127 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@H]1c1ccc(OC)cc1 170116226 FGYVIESYSMDLSK-HSZRJFAPSA-N 437.536 5.124 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 170142476 HFZKIRBLMAJQBC-JOCHJYFZSA-N 428.875 5.303 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccc(C)c2)cc1C 170142932 NJTAMWSWEGCRDW-VWLOTQADSA-N 441.527 5.793 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@H]1c1ccccc1OC(C)C 170151006 KTDKBSMKBSCVRM-XMMPIXPASA-N 449.547 5.177 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2cccs2)c1C 170158958 IDFODYMVWNEMEZ-HSZRJFAPSA-N 445.540 5.473 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccccn2)cc1Cl 170172759 RZXCQOINPZFBPM-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccccn2)c1C 170172846 XVXZQJABKFVQIA-XMMPIXPASA-N 442.515 5.269 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccncc1)c1cccc2ccccc12 170204109 KACXXEDCDKBSQY-HSZRJFAPSA-N 440.886 5.671 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1ccc(Cl)cc1 170236530 REBODIILSYUXCA-IBGZPJMESA-N 430.287 5.728 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(F)cc2)c1 170244054 HDRRHQNFBPDARX-HSZRJFAPSA-N 437.511 5.381 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(O)c2)cc1C 170264394 DFFGCELLOPFDFK-QHCPKHFHSA-N 435.520 5.010 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)c(Cl)c2)[C@@H]1c1ccc(C)o1 170309300 CTMQIWUWVNNYGO-KRWDZBQOSA-N 438.307 5.282 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(OC(C)C)cc2)cc1 170328456 UPORAJGPKBGFMU-QFIPXVFZSA-N 449.528 5.327 30 10 IKEE Cc1cc(C)c2oc(-c3ccc(C(=O)Nc4sc(C)c(C)c4C#N)cc3)cc(=O)c2c1 170573824 WZBGGAOHCGHWRO-UHFFFAOYSA-N 428.513 5.879 30 10 IKEE Cc1cc(Br)c(O)c(C=Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)c1 252601965 FERNYWQEPLXRLK-UHFFFAOYSA-N 441.712 6.675 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccc(O)c2)c1 526518479 XINYHSVRJZWYQO-VWLOTQADSA-N 440.499 5.500 30 10 IKEE Cc1ccc(SC2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 526660010 BQYQHACDAQNQAX-UHFFFAOYSA-N 439.540 5.473 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccc([N+](=O)[O-])cc2)c1 526808744 QAMBKPSKJRIURL-XYGWBWBKSA-N 443.532 5.260 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)NC2CCN(C(=O)N[C@@H]3CCCC[C@H]3C)CC2)c1 585910080 CJDDLNFQANKMGW-AUSIDOKSSA-N 440.632 5.007 30 10 IKEE CCCCCCC[C@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 693654524 JAQSMNGSYUXJKC-RPLLCQBOSA-N 445.692 5.885 30 10 IKEE CCCCCCCCC[C@@H](N)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 693709571 VEBUAZSKQQPHTC-ZEQKJWHPSA-N 431.665 5.624 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1cc(F)c(F)c(F)c1 698491226 XSBOTSHADSLJTP-MRXNPFEDSA-N 441.247 5.873 30 10 IKEE C[C@H]1N(C(=O)OC(C)(C)C)CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 698882558 DYAXSVONSCECLM-MWTRTKDXSA-N 449.979 5.763 30 10 IKEE CCCCCCCC[C@H](NCC)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 702479424 GXJQNSWJSKCEEL-BJKOFHAPSA-N 433.681 5.740 30 10 IKEE CCCCCCCCCC[C@@H](N)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 702533103 SNKYWHIMNHUEPW-DNQXCXABSA-N 433.681 5.870 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(C)ccc(Br)c1F 721200505 QUTIBHNYVLUUMG-MAUKXSAKSA-N 429.374 5.407 30 10 IKEE O=C(CSc1n[nH]c(NN=Cc2cccc(Oc3ccccc3)c2)n1)c1ccc(F)cc1 1084261523 RCZNBLOIEWAYSC-UHFFFAOYSA-N 447.495 5.157 30 10 IKEE O=C(COc1ccc(C=Nc2ccc(Br)cc2)cc1)Nc1ccc(F)cc1 1084356245 DYWGJQXGWWDLJB-UHFFFAOYSA-N 427.273 5.356 30 10 IKEE CCN(CC)c1ccc(/C=C2\SC(=Nc3ccccc3)N(C3CCCCC3)C2=O)cc1 1084512368 XUJPLNYHMYEWOT-VDJURDQESA-N 433.621 6.470 30 10 IKEE C(=Nc1ccccc1-c1ccccc1)c1ccc(C=Nc2ccccc2-c2ccccc2)cc1 1084606865 BJSYDQFVUHRXHM-UHFFFAOYSA-N 436.558 8.522 30 10 IKEE COc1cc(/C=N/N(Cc2ccccc2)c2ccccc2)ccc1OCc1nonc1C 1554647379 PUHJBNQNKIVAQJ-WGOQTCKBSA-N 428.492 5.006 30 10 IKEE Cc1ccc(-n2c(C)cc3c2CC(C)(C)CC3=NOC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1772728748 XGBCXJWCHLMSKF-UHFFFAOYSA-N 431.492 5.536 30 10 IKEE O=C1/C(=C\c2cccc([N+](=O)[O-])c2)SC(=Nc2ccncc2Cl)N1C1CCCCC1 1772738530 UXLGMDAAGUYPJH-DGIAZZNKSA-N 442.928 5.580 30 10 IKEE N#CCc1cnc(-c2ccccc2OC(F)(F)F)c(-c2ccccc2OC(F)(F)F)c1 1848361924 RGJLTXPDEKGIAM-UHFFFAOYSA-N 438.327 6.279 30 10 IKEE CCCCCCCCCOc1cccnc1NC(=O)CCC(=O)c1ccc(Cl)cc1 1858750197 PSLQTULMCFSTPU-UHFFFAOYSA-N 430.976 6.466 30 10 IKEE COc1ccc(-c2cc(C(=O)Nc3ccccc3C#N)nn2Cc2cccc(Cl)c2)cc1 1859401844 CHHBNIPLORUUSK-UHFFFAOYSA-N 442.906 5.384 30 10 IKEE N#Cc1c(NC(=O)COc2cccc(NC(=O)C3CCCCC3)c2)sc2c1CCCC2 1860091514 PIRNXNMBBVFXFR-UHFFFAOYSA-N 437.565 5.035 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)Cc1ccc(Cl)cc1 1861135231 BZFXNNVBSMDCJC-OAQYLSRUSA-N 441.081 5.377 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 1861670081 LGZWKSGGPFOTKP-KNQAVFIVSA-N 439.040 5.649 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccc2ccccc12 1861727523 JYLGJUQBOQCHRA-AREMUKBSSA-N 430.592 5.658 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](CCCC)NC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 1862234613 ZRIGJTILEMMHGL-DXCHCPKQSA-N 446.591 5.154 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2ccccc2C)cc1C 1862400758 MGCQKXGIKYRIOT-RUZDIDTESA-N 441.527 5.399 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2ccc(C)cc2)cc1C 1862400965 QMVQRZJJUOJVLP-QHCPKHFHSA-N 447.556 5.195 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(F)cc1 1862413735 KAOXXILGJIMLOZ-RCDICMHDSA-N 437.417 5.443 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(C(C)C)cc1 1862415533 ZNVDUNIRBLIQSQ-QFIPXVFZSA-N 443.490 5.093 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OCc2ccccc2)cc1 1862484332 OAYNFIVGLJTMKN-RUZDIDTESA-N 441.527 5.562 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2cccc(C)c2)cc1 1862514221 GCFWQKLZHXJODL-RUZDIDTESA-N 441.527 5.562 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@@H]2c2c(Cl)cccc2Cl)cc1 1862521333 GFSCINVLUAKYFU-LJQANCHMSA-N 434.319 5.380 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2ccc(F)cc2)cc1 1862529364 FCRMUPANANQPOX-VWLOTQADSA-N 443.518 5.599 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(F)cc1F 1862545600 DSOGSDPOXJMCBF-HSZRJFAPSA-N 439.502 5.612 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cc(Cl)cc(Cl)c1 1862552828 CWQXIJWCCWGWSS-NRFANRHFSA-N 444.358 5.861 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C2CCCCC2)cc1 1862580801 RZTMVQSTYLMWHU-OAQYLSRUSA-N 444.358 6.213 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862590390 HWZBKKHPCJXNKZ-DEOSSOPVSA-N 431.532 5.423 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1cccc(F)c1 1862617007 TYIAKVNQCCXCAH-UWSIMGETSA-N 449.566 6.280 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(Cl)cc1 1862617108 FTEMDAULBHSPSW-VFNWGFHPSA-N 425.956 6.014 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862648929 MXWQJNURJUYHJE-DCFHFQCYSA-N 447.534 6.488 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccccc2C)cc1 1862687942 RYIGKBAXMNFKKN-KOSHJBKYSA-N 427.500 5.343 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccccc1C 1862699716 WYEVHLYWUPQNAO-RDPSFJRHSA-N 435.564 5.941 30 10 IKEE CSc1cccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccccc3Cl)C2=O)c1 1863080805 GSHGSWFOEZDCRX-UHFFFAOYSA-N 445.931 5.330 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C)c([N+](=O)[O-])c2)=C(c2ccc(C)cc2)C1=O 1863274705 KCUQPNJQZIVDQE-UHFFFAOYSA-N 449.551 5.764 30 10 IKEE CCCCCCCCN1C(=O)C(NC2CCCC2)=C(c2cc(Cl)ccc2Cl)C1=O 1863729827 AACYCESXFURGCH-UHFFFAOYSA-N 437.411 5.966 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCOC)=C(c2c[nH]c3ccccc23)C1=O 1863816766 CROMXBZFNMMUKQ-UHFFFAOYSA-N 439.600 5.015 30 10 IKEE N#Cc1ccccc1Nc1cc(N2CC[C@H](c3ccco3)C2)nc(-c2ccc(Cl)cc2)n1 1868438172 SZVKOELQDAKSND-IBGZPJMESA-N 441.922 5.999 30 10 IKEE N#Cc1ccccc1Nc1cc(N2CC[C@@H](c3ccco3)C2)nc(-c2ccc(F)cc2)n1 1868463172 NEQXHPFJPDZHDP-LJQANCHMSA-N 425.467 5.485 30 10 IKEE CC(C)(C)c1ccc(-c2nc(Nc3ccccc3C#N)cc(N3CCC[C@H](CO)C3)n2)cc1 1868550356 PGXDODCWNRLGHN-IBGZPJMESA-N 441.579 5.265 30 10 IKEE CCCCCCCCCCn1cc(OCc2n[nH]c(=N)s2)c(=O)cc1CSCC 1870307922 SFRXQHPOBIRBSC-UHFFFAOYSA-N 438.663 5.085 30 10 IKEE CCCCCCCCCCn1cc(OCC)c(=O)cc1CNc1ccc(OC)c(Cl)c1 1870785138 LLSVAWWTYDMIGY-UHFFFAOYSA-N 449.035 6.662 30 10 IKEE C=CCOc1cn(Cc2ccccn2)c(CNc2ccc(Cl)c(C(F)(F)F)c2)cc1=O 1870812723 YICCUFMFSJODCB-UHFFFAOYSA-N 449.860 5.141 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OC)c(=O)cc1CNc1ccccc1C(C)C 1870872764 VZGQCNOGBWSGJU-UHFFFAOYSA-N 442.600 5.496 30 10 IKEE CCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccccc1C(C)C 1871253529 ASSVJRPBVSZNDP-UHFFFAOYSA-N 443.591 6.225 30 10 IKEE CCc1ccc([C@H](C)N2COc3cc(C)c4c(c3C2)O/C(=C\c2ccccc2C)C4=O)cc1 1871353922 BJSKNUXCDPPQIN-YIRYVTQCSA-N 439.555 6.395 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1cccc([N+](=O)[O-])c1)C3=O)CN(C1CCCCCCC1)CO2 1871355813 XJLYGKISZOUPMY-QRVIBDJDSA-N 448.519 5.784 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O)c1ccc(Cl)c(Cl)c1 1871372236 GZNBXQHTDYZQQR-KACMKLLYSA-N 437.278 6.385 30 10 IKEE COC(=O)c1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(C)c(C)c4)cc(C)c3C2=O)cc1 1871372387 ONXHJWLBEVNHMB-QRVIBDJDSA-N 442.467 5.234 30 10 IKEE CCCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccco2)C3=O)cc1 1871390538 AZFFOEGGVHWFPH-STZFKDTASA-N 432.428 5.129 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871408781 TZRYAMOPAAPCCX-PGECNJAHSA-N 447.918 5.979 30 10 IKEE CCCOC(=O)[C@H](CC)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 1871432755 FWZXRZWQVIJKLX-ISRVBRPNSA-N 449.330 6.029 30 10 IKEE Cn1cc(/C=C2\Oc3cc(OCc4cccc5ccccc45)ccc3C2=O)c2ccccc21 1871434223 NPGVUHOJKYNTAF-MBTHVWNTSA-N 431.491 6.527 30 10 IKEE CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871448986 QHMAEKNLFXSVEP-NSTHGIQOSA-N 445.471 5.121 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OCC(=O)Nc3cccc(Cl)c3)ccc2C1=O 1871454873 XRSGPBOQJMTWGT-ODLFYWEKSA-N 425.893 5.344 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccccc3C(C)C)cc(C)c2C1=O 1871456253 VCUNUWRICLKEKM-QFEZKATASA-N 441.527 6.061 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc3n[nH]cc3c2)[nH]c(N2CCCC2)n1 1871632632 GXDHYFLSVSFKMA-UHFFFAOYSA-N 436.608 5.066 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(O)cc2)[nH]c(N2CCC[C@@H](C)C2)n1 1871718374 HDWNRHBRMKHMLW-HXUWFJFHSA-N 440.636 5.532 30 10 IKEE C=CCN([C@H](CC)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1871823695 LDHNBTBZSBJSNN-XMMPIXPASA-N 442.625 5.240 30 10 IKEE CCCCCCCCCCNC(=O)c1nonc1OCc1ccc(Cl)cc1Cl 1872709709 ZTMHIQXHPWLFJR-UHFFFAOYSA-N 428.360 5.826 30 10 IKEE N#Cc1cccc(NC(=O)c2ccc3nc(-c4cccc(Oc5ccccc5)c4)[nH]c3c2)c1 1872735194 JHFWVNDMGOTXJG-UHFFFAOYSA-N 430.467 6.146 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)c(C)c1 1872769658 XNYQHBIGPQRZAW-CZTZKLFOSA-N 443.572 5.213 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(Cl)c(Cl)c3)n2)cc1F 1872774808 CFYNSOYTYQAAAB-ZDUSSCGKSA-N 435.307 5.684 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(F)cc2)C(=O)N(C2CCCCCC2)C1=O 1873137937 UJJJHGACEACNIH-UHFFFAOYSA-N 442.619 6.359 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@@H](CC)CCCCC)=C(c2ccccc2)C1=O 1873160283 DAWQIXNKFRUGAD-DEOSSOPVSA-N 440.672 6.856 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(F)ccc2F)=C(c2cccc(OC)c2)C1=O 1873218269 FAUHCDGVWBHHNO-UHFFFAOYSA-N 442.506 5.526 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2C#N)=C(c2c(C)cc(C)cc2C)C1=O 1873331562 QJJULNZLLHZDKS-UHFFFAOYSA-N 443.591 6.036 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3c(Cl)ccc(Cl)c3Cl)nnc2C(C)C)[nH]1 1873505589 VEOPOXLANLWBSM-GZIVZEMBSA-N 442.803 6.173 30 10 IKEE O=c1c(Cl)c(N/N=C/c2c(F)cccc2Cl)cnn1-c1ccc(Cl)c(Cl)c1 1873529367 QYYJKSFNSYZJHC-HCGXMYGOSA-N 446.096 5.431 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1ccc(Cl)cc1)N1Cc2ccccc2C1=O 1873885948 AMIBNNARLWPDNM-HSZRJFAPSA-N 426.988 5.384 30 10 IKEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3ccccc3C(F)(F)F)c(=O)oc2c1 1873943349 OWDOUGFNHXGDCP-UHFFFAOYSA-N 445.437 5.646 30 10 IKEE C=C(C)CSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1cccs1 1874225675 WZWHKTUIOPSLIL-OEAKJJBVSA-N 426.611 5.518 30 10 IKEE CCOc1ccccc1OCc1nnc(SC)n1/N=C/c1ccc(Cl)c(Cl)c1 1874239345 CJZWDUXIXNSNIT-SSDVNMTOSA-N 437.352 5.167 30 10 IKEE CCCSc1nnc(COc2ccccc2Cl)n1/N=C/c1cccc(OCC)c1 1874267937 XJXGBJVDOWWVMM-OEAKJJBVSA-N 430.961 5.294 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccccc1Cl 1874278841 GDNBSYTVLCXBMA-ZMOGYAJESA-N 431.392 5.921 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(CCc3ccc(Cl)cc3)nnc2SC)cc1 1874281765 ZJMOOXZKMCHGIF-LFVJCYFKSA-N 428.005 5.167 30 10 IKEE CCCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc(C(C)C)cc1 1874284617 PORHEDDWDWXSPG-PCLIKHOPSA-N 427.017 6.224 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc(OC)cc1OC 1874342529 USZNXOIJSWNDEO-ZMOGYAJESA-N 442.972 5.090 30 10 IKEE Clc1ccccc1CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc[nH]1 1874365540 HVBJKYZQTDHTCY-WYMPLXKRSA-N 428.348 5.755 30 10 IKEE Cc1ccccc1/C=N/n1c(Cc2ccccc2F)nnc1SCc1cccc(F)c1 1874374586 DITVEPNGIHEMBX-JFLMPSFJSA-N 434.515 5.630 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(Cc3ccc(F)cc3)n2/N=C/c2ccccc2)cc1 1874377784 NMIQPRTVSPXGPW-MFKUBSTISA-N 447.495 5.091 30 10 IKEE CCc1ccc(/C=N/n2c(Cc3ccc(C)cc3)nnc2SCc2ccc(C)cc2)cc1 1874386350 LEJHXVAKYFEKOJ-MTDXEUNCSA-N 440.616 6.223 30 10 IKEE C=CCSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874400129 JIAVMYOGVSXXSK-OAKZWBAKSA-N 436.581 5.386 30 10 IKEE Fc1ccccc1CSc1nnc(Cc2cccs2)n1/N=C/c1c[nH]c2ccccc12 1874412639 SVSPUIHUOKWJGU-VULFUBBASA-N 447.564 5.725 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2ccc(C)cc2)nnc1[C@@H]1CCCO1 1874441703 HBGWXGASPQWYKB-LWROZRRASA-N 434.565 5.177 30 10 IKEE Cc1cccc(CSc2nnc(C(F)(F)F)n2/N=C/c2cc(Cl)ccc2O)c1 1874459264 FDZBMTKHIOPAAI-NUGSKGIGSA-N 426.851 5.139 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(SCc2ccccc2F)nnc1C(F)(F)F 1874461321 IFKPURBAVQCOGE-OPEKNORGSA-N 438.450 5.398 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2ccc(C)cc2)nnc1-c1ccco1 1874464111 RLVQAYROQGUOKP-PCLIKHOPSA-N 432.549 5.810 30 10 IKEE CCCOc1ccccc1/C=N/n1c(CCOC)nnc1SCc1ccc(Cl)cc1 1874473397 CMUREWPJSVQRSX-BUVRLJJBSA-N 444.988 5.084 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(C)(C)C)n2/N=C/c2c(F)cccc2Cl)c1 1874484323 PXGGUUZOBCIBRS-BRJLIKDPSA-N 430.980 6.159 30 10 IKEE COc1ccc(OC)c(/C=N/n2c(CC(C)C)nnc2SCc2cccc(Cl)c2)c1 1874491259 HWCXLXFITYCYGM-ZMOGYAJESA-N 444.988 5.322 30 10 IKEE COc1ccc(OC)c(/C=N/n2c(CC(C)C)nnc2SCc2ccc(Cl)cc2)c1 1874491591 YUOCKYGRPBQOME-ZMOGYAJESA-N 444.988 5.322 30 10 IKEE O=[N+]([O-])c1ccccc1/C=N/n1c(SCc2cccc3ccccc23)nnc1C1CCC1 1874496595 VGHGUGJWTWICDA-MFKUBSTISA-N 443.532 5.782 30 10 IKEE COc1cccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C2CC2)c1O 1874520958 TUHDXMCPTGACEV-AUEPDCJTSA-N 449.363 5.351 30 10 IKEE Cc1ccc(COc2ccc(/C=N/n3cnnc3SCCc3ccccc3)cc2)cc1 1874538826 ZDPYZGKSEAWNTO-WPWMEQJKSA-N 428.561 5.383 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(S)n1/N=C/c1cccc(OCc2ccc(F)cc2)c1 1874561567 XKYGUQNBMYLUSO-AEIQVQRHSA-N 432.524 5.319 30 10 IKEE COC(=O)c1ccc(COc2ccc(Cl)cc2/C=C/C(=O)c2cccc(OC)c2)o1 1874572590 VUUFNTVXAKBSSX-RMKNXTFCSA-N 426.852 5.203 30 10 IKEE O=C(/C=C/c1cc(Br)ccc1OCc1cccc(Cl)c1)c1ccccc1 1874578472 PPGXFRQNRJKMAP-PKNBQFBNSA-N 427.725 6.578 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)c1OCCc1ccccc1 1874592092 BZHWLFQVOHTFHT-FYWRMAATSA-N 448.515 5.239 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2cccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)c2)c1 1874592935 JSVBOZRHFDMICW-MDZDMXLPSA-N 430.460 5.125 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(Cl)c1OCc1ccccc1F 1874605519 SGIKIXMEGGHRGD-VAWYXSNFSA-N 440.898 6.362 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1ccc(Cl)cc1 1874613404 SCNVLLYFOVSITG-QDEBKDIKSA-N 445.715 6.717 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2[N+](=O)[O-])o1 1874617643 MZGAKTJDHAVGOP-UXBLZVDNSA-N 449.459 5.456 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OCC(=O)NCc3ccccc3)c(Cl)c2)c1 1874618111 KRNKYNUUCPLLNG-ZRDIBKRKSA-N 433.935 5.548 30 10 IKEE Cc1cccc(COc2ccc(/C=C/C(=O)c3cc(Cl)ccc3Cl)cc2[N+](=O)[O-])c1 1874637963 BCKSXDIGAZXLNY-WEVVVXLNSA-N 442.298 6.685 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1OC(=O)C1CCC1 1875104391 VAJZEDOTYPQXRO-VMPITWQZSA-N 439.722 6.257 30 10 IKEE CCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1Br 1875104510 ANPWVTACZQZOPR-XBXARRHUSA-N 442.136 6.358 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc([N+](=O)[O-])c1OC(=O)c1ccccc1F 1875127116 OXKFRKVEOYDVHO-OUKQBFOZSA-N 435.407 5.248 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)CCc1ccccc1 1875129110 LMMPNFUUENCGSU-BMRADRMJSA-N 426.512 5.858 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3OC)cc2)cc1 1875129741 QYBZDTYQORSLAD-VCHYOVAHSA-N 430.500 5.528 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cc(Cl)ccc3Cl)cc2)cc1 1875132198 JTXPCTRNQWPYCQ-AWNIVKPZSA-N 425.311 6.346 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)c(C)c3)c([N+](=O)[O-])c2)c(C)c1 1875134901 PTWIAPIRTKYEPI-UXBLZVDNSA-N 447.462 5.703 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2)cc1 1875149845 KPQICEXTAMXUHG-NTEUORMPSA-N 428.484 5.412 30 10 IKEE CC(C)(C)C(=O)Oc1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1[N+](=O)[O-] 1875165071 ACVTZQZSXZFUIK-OQLLNIDSSA-N 445.471 6.235 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)Cc1ccccc1F 1875166581 NSPWZBHPEJHVSG-FMIVXFBMSA-N 448.490 5.504 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2cccc(C)c2)c([N+](=O)[O-])c1 1875170688 LQHTXGBZSSOZSJ-CSKARUKUSA-N 445.471 5.644 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)c2cnccn2)c([N+](=O)[O-])c1 1875184993 AVBKNSCTWBSDHG-RMKNXTFCSA-N 445.475 5.106 30 10 IKEE Cc1cc(Cl)ccc1NC(=O)C1CCN(c2oc(-c3cccs3)nc2C#N)CC1 1890477861 RJIDRCQFLKKXRF-UHFFFAOYSA-N 426.929 5.092 30 10 IKEE C=CCN(Cc1ccccc1)Cc1ccc(I)c(Br)c1 1893241761 POQOBSZPPUBWEM-UHFFFAOYSA-N 442.138 5.242 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CCc1cccc(NC(=O)OC(C)(C)C)c1)NCCC 1922054969 NWGFDVLLVQKNLV-RUZDIDTESA-N 438.612 6.107 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)C12CC2 1925711827 YUDGCWCKZURAFD-XMMPIXPASA-N 427.545 5.172 30 10 IKEE CC(C)(C)OC(=O)N1CC(C)(C)[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 1996501982 AOZKJGCAMLOKEH-DEOSSOPVSA-N 435.609 5.486 30 10 IKEE Cc1ccc(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 2008449890 VYRXANKNBJYCAF-IECBHUPTSA-N 427.545 5.028 30 10 IKEE CCCCCCCCC[C@H](CN)N(CCCNC(=O)OC(C)(C)C)Cc1ccccc1 2018745712 SMCUAZIILUEXCH-XMMPIXPASA-N 433.681 5.871 30 10 IKEE CCCN[C@]1(C#N)CCC[C@@H](CN(CCN(C)Cc2ccccc2)Cc2ccccc2)C1 2034739750 PPWHRZFEIDBVJL-VSGBNLITSA-N 432.656 5.073 30 10 IKEE C=C(COC)[C@@H](NCCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071267636 RHPBZNJQKVYBPS-MUUNZHRXSA-N 431.576 6.088 30 10 IKEE C=C(COCC)C(=O)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071356508 PCKJESZSVFRCDT-HHHXNRCGSA-N 432.516 5.040 30 10 IKEE N#CC1([C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCCCC1 2071358423 SLVVLWGIPGQLRR-MHZLTWQESA-N 427.544 6.352 30 10 IKEE CCCCCCCN(C(=O)OCc1ccccc1)[C@@H](C)c1ccc(Br)cc1 2081125331 JKNGMJHHCZGLFO-IBGZPJMESA-N 432.402 7.119 30 10 IKEE C=CCCCCCC[C@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2085848331 YYPUUEPNXKBJCL-VJTSUQJLSA-N 446.676 6.380 30 10 IKEE C=CCN(C[C@@H](Cc1cccc(Br)c1Cl)NCCC)C(=O)OC(C)(C)C 2110501418 ROKLBQXHXIEYCN-MRXNPFEDSA-N 445.829 5.436 30 10 IKEE C=CC1(C[C@H](NCC)c2ccc(I)c(Br)c2)CCC1 2111721938 MUMCUFBRJCBOAK-HNNXBMFYSA-N 434.159 5.451 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(C)c(Br)cc1C 2136376031 BESNBXYSOBYCFD-RTBURBONSA-N 425.411 5.576 30 10 IKEE CCC[C@]1(Nc2cc(Br)c(C#N)cc2F)CCCN(C(=O)OC(C)(C)C)C1 2162305136 YTSYNKIIHOJPDB-FQEVSTJZSA-N 440.357 5.442 30 10 IKEE CN(Cc1ccccc1NC(=O)OC(C)(C)C)c1cc(Br)cc(F)c1C#N 2174814066 DALALUXUKFJMRZ-UHFFFAOYSA-N 434.309 5.443 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](Nc2ccc(C#N)c(Br)c2F)[C@H]2CCCC[C@@H]21 2179389723 IHXFSAROVMUKKK-KBMXLJTQSA-N 438.341 5.050 30 10 IKEE Cc1cc(Br)c(C(=O)Nc2ccccc2C#N)cc1NC(=O)OC(C)(C)C 2181048929 VBNXGRKOMGBLPO-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE Cc1cc(Br)c(N=C2N[C@@H](C(F)(F)F)[C@@H](C)S2)c(Br)c1 2195313150 CYUUKTSXTSXBPZ-LHLIQPBNSA-N 432.103 5.163 30 10 IKEE CCCN[C@H](C#Cc1ccc(Cl)cc1)CN(Cc1ccccc1)C(=O)OC(C)(C)C 2212466451 KRTHFWPVHPXHSO-HSZRJFAPSA-N 426.988 5.497 30 10 IKEE O[C@@H](C#Cc1ccccc1Br)c1cc(Br)ccc1Br 2227487063 YVTYYXRQSGLPMJ-HNNXBMFYSA-N 444.948 5.059 30 10 IKEE C=C(CC)C[C@@H](NCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229116936 TUEIVNSCQWCPPL-MOPGFXCFSA-N 425.411 5.219 30 10 IKEE C=CCCCCC[C@@H](N)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229118613 OTURSGJRIQNSEC-RTBURBONSA-N 425.411 5.349 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Cl)c(Cl)c(Cl)c1 2232520716 QFCJOSFMZVWTOL-WMZOPIPTSA-N 433.807 5.994 30 10 IKEE C=CCC1([C@@H](NCC)c2cc(Cl)cc(Cl)c2Cl)CN(C(=O)OC(C)(C)C)C1 2235577130 OIYKLROKNUOFBX-KRWDZBQOSA-N 433.807 6.111 30 10 IKEE C#C[C@H](c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)N1CCCCCC1 2258113571 NCZFPEXPDDOKHS-HHHXNRCGSA-N 425.572 6.395 30 10 IKEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CSCc1ccc(Br)cc1C#N 2260259410 OGWYFWDLTNYFDN-GUYCJALGSA-N 425.392 5.199 30 10 IKEE Cc1c(Cl)cccc1N=C1NC(=O)C(=Cc2cccn2-c2ccc(Cl)cc2)S1 2294010661 DAWPIDWECXUDLA-UHFFFAOYSA-N 428.344 5.984 30 10 IKEE Cc1ccc(N2C(=O)C(=C3Sc4ccccc4N3C)SC2=Nc2ccccc2)cc1 2295165128 GLWOQTQRTNGRLD-UHFFFAOYSA-N 429.570 6.174 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)C(C)(C)[C@@H](C)NC(=O)OC(C)(C)C 2296291295 MYQVXQXNJDFSBL-VQIMIIECSA-N 437.422 5.108 30 10 IKEE O=C1C(=Cc2ccc(-c3ccccc3)cc2)Oc2cc(OCC=Cc3ccccc3)ccc21 2296594530 QWISISPZCXFDHG-UHFFFAOYSA-N 430.503 7.062 30 10 IKEE COc1ccc(C(=O)C(=Cc2cccc(Br)c2)c2nc3ccccc3o2)cc1 2296696637 BCUUUDAXHAYMIM-UHFFFAOYSA-N 434.289 6.022 30 10 IKEE O=C1C(=Cc2ccc(Br)s2)CCC1=Cc1ccc(Br)s1 2297333935 JCHGHRDQLMPPJN-UHFFFAOYSA-N 430.186 6.165 30 10 IKEE O=C1C(=Cc2cccc(Br)c2)CCCC1=Cc1cccc(Br)c1 2297334083 AHJCUJSTWXHHHI-UHFFFAOYSA-N 432.155 6.432 30 10 IKEE CCc1ccccc1NC=C1C(=O)c2ccccc2N(Cc2cccc(C)c2)S1(=O)=O 2297335003 VZIHHWYSXBNSPI-UHFFFAOYSA-N 432.545 5.044 30 10 IKEE Cc1ccc(N=C2SC(=C3Sc4ccccc4N3C)C(=O)N2C)c(Br)c1 2297708981 OLBSLCGHKQSGQJ-UHFFFAOYSA-N 446.395 5.361 30 10 IKEE O=C1NC(=Nc2ccccc2)SC1=Cc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 2313532965 AYXFJGQCZPYBGW-UHFFFAOYSA-N 425.853 5.400 30 10 IKEE CC1(C)CC(=O)C2=C(C1)N=C1N=C(SCc3ccccc3)NN1[C@H]2C=Cc1ccccc1 2313680973 GYINBIQYDGIHTQ-NRFANRHFSA-N 442.588 5.191 30 10 IKEE O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1cccc(Cl)c1 2314477811 NBWUQIIKLIMOSB-VWLOTQADSA-N 443.930 5.561 30 10 IKEE C=CCOc1cccc([C@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2Cc2ccco2)c1 2314479035 YXWWPPGYIRXECR-VWLOTQADSA-N 441.483 5.023 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(ccc(OCc4ccccc4F)c3C)C2=O)cc1 2321796491 RXZBITWEIPZEAY-UHFFFAOYSA-N 431.507 6.176 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2ccc(C)cc2)cc1 2322371134 GHEKLAIZUKOCPA-UHFFFAOYSA-N 429.516 5.480 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2ccc(C)c(C)c2)cc1 2322371171 ONPMMYQBGPTDMZ-UHFFFAOYSA-N 443.543 5.788 30 10 IKEE Cc1c2c(cc3c1OC(=CC=Cc1ccccc1)C3=O)CN(CCCCN1CCCC1)CO2 2322381397 JVYSCRSJYZKEOR-UHFFFAOYSA-N 444.575 5.195 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Br)cc(OC)c2OCCO)cc1 2322401914 SOXLUBUUMGUCPH-UHFFFAOYSA-N 433.342 5.068 30 10 IKEE CC1(C)OB([C@@]23C[C@H]2CCN(Cc2sc(Cl)cc2Br)C3)OC1(C)C 2322532332 GVWLBWHRNRYXSJ-PIGZYNQJSA-N 432.620 5.222 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)NC2CCCCC2)c(C)c1 2322572939 VOFSDZLTVYVTJP-UHFFFAOYSA-N 425.956 5.681 30 10 IKEE C=C(C)COc1c(C=CC(=O)c2ccc(OCCC)cc2)cc(Br)cc1OC 2322612731 LDSOHTZDQOWZTK-UHFFFAOYSA-N 445.353 6.098 30 10 IKEE COc1cccc2cc(C(=O)Oc3ccc4c(c3C)OC(=Cc3cccc(F)c3)C4=O)oc12 2322860249 PXVHKNZKXKGKDM-UHFFFAOYSA-N 444.414 5.724 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)c4cccc(NC(C)=O)c4)ccc3C2=O)cc1 2322959108 CPRCJZKOHDAWOZ-UHFFFAOYSA-N 427.456 5.043 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccccc1OCC(=O)Nc1ccc(C)c(C)c1 2323022282 NQECGWNASSAFTM-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE O=C(C=Cc1ccco1)Oc1ccc2c(c1)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2323157661 DSPGYOYGJRXLFX-UHFFFAOYSA-N 427.239 5.821 30 10 IKEE C=C(C)COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1Br 2323514615 KQXXXZXKXGAKHK-UHFFFAOYSA-N 426.137 6.607 30 10 IKEE CCOc1cc(C=Nn2c(S)nnc2-c2cccs2)cc(Cl)c1OCC(C)C 2323532367 QFSYPYKZAPTXCM-UHFFFAOYSA-N 436.990 5.264 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2Cl)cc(OC)c1OCc1ccccc1C 2323626964 MTNJSDGTCJYZNX-UHFFFAOYSA-N 432.947 6.861 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3c(C)cccc3C)c(OC)c2)cc1 2323648615 YTGHLZCLPHANES-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)C=Cc1ccc(OCC)cc1 2323813437 MGLONQGTGHKHAV-VWLOTQADSA-N 444.660 6.030 30 10 IKEE COc1ccc(C=NNc2nc(-c3c(C)cc(C)cc3C)cs2)cc1Br 2323865291 GDOHRCBSKLXBNE-UHFFFAOYSA-N 430.371 5.952 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1 2323879703 WZPSYWSAHYSDGM-UHFFFAOYSA-N 440.326 6.215 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OCc3c(F)cccc3Cl)c([N+](=O)[O-])c2)c1 2323946222 DKJYPFOFMOGMSV-UHFFFAOYSA-N 439.870 6.479 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2OC)cc(OC)c1OCc1ccccc1C 2324010204 DPUMLVOTPNQQAP-UHFFFAOYSA-N 442.555 6.524 30 10 IKEE CCCCCOc1ccc(C=Nn2c(CC)nnc2SCc2cccc(F)c2)cc1 2325589382 MDWGHXFBIXUQSN-UHFFFAOYSA-N 426.561 5.723 30 10 IKEE CN(C)c1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(-c4ccccc4)cc3)c2)cc1 2325669490 FXTHITXKQMEYGK-UHFFFAOYSA-N 447.534 6.535 30 10 IKEE COc1cccc(C=C2Oc3cc(OCC(=O)Nc4cccc(Cl)c4)cc(C)c3C2=O)c1 2325717192 LRPVVKYTDBMZBO-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1cccc(Cl)c1)C2=O 2325737607 BYVWOPIGFDFDIE-UHFFFAOYSA-N 447.918 5.845 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1cccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)c1 2325746371 PJIIGEKTCCCQPH-UHFFFAOYSA-N 444.527 6.117 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2cccc(OC(=O)c3ccc(C(C)(C)C)cc3)c2)c1C 2325756833 BRIQUOKRFIPUFT-UHFFFAOYSA-N 440.583 7.333 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1N=Cc1ccc[nH]1 2325847132 GARSOKXPRRVOSF-UHFFFAOYSA-N 437.613 5.466 30 10 IKEE C=CCSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1sccc1C 2326398951 QJHOAGWXPMBLKH-UHFFFAOYSA-N 426.611 5.437 30 10 IKEE CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1cn(C)c2ccccc12 2326906605 SWJNMWLREQNULS-UHFFFAOYSA-N 433.625 5.523 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccccc3C)n2N=Cc2ccncc2)CC1 2328120735 KTZROBFKADRTMN-UHFFFAOYSA-N 447.652 6.620 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(OC)cc2)n1N=Cc1ccc(Cl)cc1 2328576987 NTKPRNHMXXPRPV-UHFFFAOYSA-N 426.973 5.276 30 10 IKEE CCSc1nnc(CCc2cccc(OC)c2)n1N=Cc1c(OC)ccc2ccccc12 2328629233 JEJLBOYZZOQIMQ-UHFFFAOYSA-N 446.576 5.228 30 10 IKEE Cc1ccsc1C=Nn1c(SCCc2ccccc2)nnc1-c1ccccc1Cl 2329587199 YBOYKNAOTVJVSV-UHFFFAOYSA-N 439.009 6.185 30 10 IKEE Cc1ccc(CSc2nnc(CCc3cccs3)n2N=Cc2ccccc2O)cc1 2329626975 LAHNTWOFTSQFMB-UHFFFAOYSA-N 434.590 5.313 30 10 IKEE Cc1ccc(C)c(CSc2nnc(COc3ccccc3)n2N=Cc2ccncc2)c1 2329918990 OIXFRZFNODSURG-UHFFFAOYSA-N 429.549 5.043 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC(C)C)NC(=O)C=Cc1ccc(Cl)cc1 2330372115 BRNUDYLTRQRXFA-HSZRJFAPSA-N 435.052 6.141 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2-c2ccccc2)cc1 2330640112 FJYRLKDFLINZLR-UHFFFAOYSA-N 444.579 6.556 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)CSc1ccccc1 2331081762 SHEQIIDTNVQKIY-UHFFFAOYSA-N 434.513 5.298 30 10 IKEE Oc1ccc(Cl)cc1C=Nn1c(SCc2ccc(Cl)cc2)nnc1C1CCCC1 2331086546 JUJAMQWBUVTWBX-UHFFFAOYSA-N 447.391 6.123 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(C2CCCC2)n1N=Cc1ccc(Cl)cc1 2331104368 VEOGGXOFRAJBRQ-UHFFFAOYSA-N 449.382 6.556 30 10 IKEE CN(C)c1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C(F)(F)F)cc1 2331155087 VLLRAJFKUZVTHY-UHFFFAOYSA-N 439.894 5.191 30 10 IKEE COc1ccccc1C=Nn1c(SCc2c(F)cccc2Cl)nnc1C(F)(F)F 2331162961 BGLILRXTZMYRDS-UHFFFAOYSA-N 444.841 5.273 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)C(c3ccccc3)c3ccccc3)cc2)cc1 2331259442 GETNBQOUZQVWLI-UHFFFAOYSA-N 432.519 6.629 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc3ccccc23)cc(OC)c1OC(=O)C(C)(C)C 2331484966 GLKXXXKHZUZHOE-UHFFFAOYSA-N 428.528 6.425 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1Cl 2331557060 SVAPTMBPYNECQM-UHFFFAOYSA-N 442.845 5.671 30 10 IKEE COc1cc(C=NNc2oc(Cc3cccc4ccccc34)nc2C#N)cc(Cl)c1O 2331932648 ITUXQSHQBLODJD-UHFFFAOYSA-N 432.867 5.104 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Cl)cc(Br)c1F 2337107522 UFJZUVPYTPPRLT-NVXWUHKLSA-N 447.776 5.199 30 10 IKEE C[C@H]1[C@@H](C)N(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C[C@@H](C)N1Cc1ccccc1 2365103947 PACQSMIBNPYWKD-BHIFYINESA-N 447.432 5.214 30 10 IKEE COc1ccc(/C=C2/Oc3cc(OCc4ccc(C(=O)OC(C)C)cc4)ccc3C2=O)cc1 1913569 UGHXLPDKTRWCNA-AFUMVMLFSA-N 444.483 5.456 30 10 IKEE CCc1ccc(NC(=S)N/N=C2\C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)cc1 3041340 ABVDYVYYMYTLAK-QYQHSDTDSA-N 448.979 5.140 30 10 IKEE CCCCCCCCOc1ccc(/C=C2/N=C(c3cccc4ccccc34)OC2=O)cc1 3584537 DCBYIRUBXMRJLX-LHLOQNFPSA-N 427.544 6.924 30 10 IKEE CC(C)N=C1/C(=C\c2ccc(C(C)(C)C)cc2)COC/C1=C/c1ccc(C(C)(C)C)cc1 5633219 RQWWQPUHZZORSE-FXKBRRNPSA-N 429.648 7.628 30 10 IKEE Cc1cc(C)cc(-n2c(C)cc(/C=C3/S/C(=N/c4ccc(Cl)cc4)NC3=O)c2C)c1 6194017 WVSGKKHBDQIDEU-LPYMAVHISA-N 435.980 6.256 30 10 IKEE O=C1/C(=C\c2ccc(-c3ccc(F)cc3)o2)CCC/C1=C/c1ccc(-c2ccc(F)cc2)o1 15224338 RBJJAWPBKHYHSE-ISPAOBMBSA-N 442.461 7.705 30 10 IKEE COc1ccc(/C=C\C(=O)C[C@H](Nc2ccc(C(=O)O)cc2)c2ccc(Cl)cc2)cc1 33399976 OOPCCSFNEKSCOU-NRYUMQJOSA-N 435.907 5.873 30 10 IKEE CN1/C(=C\C(=O)CSc2nnc(-c3ccccc3Cl)n2C)C(C)(C)c2ccccc21 39565394 BZYIBIJACMZIGF-MOSHPQCFSA-N 438.984 5.108 30 10 IKEE O=C(Nc1cccc(F)c1)[C@@H]1CC(=O)N(Cc2cccs2)/C(=N/c2ccccc2)S1 59109031 KIAJADNXUOYZLW-NWIBBQCFSA-N 439.537 5.048 30 10 IKEE CCCCCCCOc1ccc(NC(=S)NC(=O)c2ccccc2OCCC)cc1 100155653 QPAUGDHYNSEBAB-UHFFFAOYSA-N 428.598 5.951 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1c(Cl)cccc1Cl 100444482 JFVFEHTVWVIVFW-UHFFFAOYSA-N 431.473 7.508 30 10 IKEE CCCCCCCCCCCCn1c(CCCNC(=O)c2ccncc2)nc2ccccc21 102109672 ARTZYAQIVXOPJF-UHFFFAOYSA-N 448.655 6.715 30 10 IKEE CCCCCCCCCCCn1c(COc2ccc(Cl)cc2Cl)nc2ccccc21 102185073 HHNJZPOYDZCWRX-UHFFFAOYSA-N 447.450 8.453 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1cccc(C)c1 169968210 XHUSSMBNHOUWHS-JOCHJYFZSA-N 435.426 5.065 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(C(C)(C)C)cc1 169975308 XZFZUIVOAAINRZ-OAQYLSRUSA-N 441.955 5.252 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1cccc(OC(C)C)c1 169981085 YVWISXSATBAFNY-HSZRJFAPSA-N 437.536 5.251 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C)cc2)c1 170036897 DZRSIYQMPRXLCO-QHCPKHFHSA-N 431.463 5.316 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OCC)c3)[C@@H]2c2ccccc2)c1 170047392 WAYCKURBVRUBOJ-XMMPIXPASA-N 443.499 5.267 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1c1ccc(N(C)C)cc1 170087147 ZHVVIKKMIQRETO-QHCPKHFHSA-N 446.934 5.497 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(O)cc2)c1 170131551 CVTIJZHYGIJBPZ-HSZRJFAPSA-N 447.462 5.103 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2cccs2)cc1C 170157899 QKOKSOWXZQQICA-QFIPXVFZSA-N 428.513 5.629 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccs2)cc1C(C)C 170159121 UWFZFVFNWVUTHB-QHCPKHFHSA-N 447.556 5.971 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1cccc(OCC)c1 170218146 IAIMEBJJJYEILN-HSZRJFAPSA-N 437.536 5.169 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2ccccc2)cc1 170227263 YWSUCJHRGFVHRM-DEOSSOPVSA-N 425.484 5.103 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(Cl)cc1)c1cc2ccccc2o1 170235175 XUGSSTPIIKOYEO-QFIPXVFZSA-N 429.859 5.869 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 170235190 IOLQWYBNEMIDLO-FQEVSTJZSA-N 434.835 5.031 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1ccccc1F)c1ccc2ccccc2c1 170248937 PIULCYFIEJFBEG-DEOSSOPVSA-N 439.442 5.467 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2c[nH]c3ccccc23)cc1 170256488 AFGYBQLTAMFLNE-QHCPKHFHSA-N 430.504 5.088 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2C2CCCCC2)cc1 170266526 BCXYCLJZVAKLKB-VWLOTQADSA-N 447.575 5.947 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(CC)cc1 170268361 KQGMTRHFIVFLNJ-VWLOTQADSA-N 427.544 6.171 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccccc2C)cc1C 170271912 MJJYCANQKURMFI-DEOSSOPVSA-N 443.499 5.191 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(C)o2)cc1 170300852 JNOAUQZFLWRARY-UPCLLVRISA-N 443.499 5.257 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(C)o2)cc1C 170303928 RDQCFEDBFDDAPD-DEOSSOPVSA-N 445.515 5.777 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1Cc1cccnc1 170316901 MQAZCIOYNRACHV-JOCHJYFZSA-N 440.524 5.383 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C(F)(F)F)cc2)c1 170344977 XXERWMXHOOARJR-NRFANRHFSA-N 437.417 5.797 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccc(OCC)c2)cc1 170364802 ZRGRQGLTZKLPFJ-DEOSSOPVSA-N 443.499 5.267 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc3c(c2)OCO3)cc1 170378903 QIIZNDJHOFCHKE-DEOSSOPVSA-N 441.483 5.322 30 10 IKEE CCCCCCCc1ccc(-c2ccccc2)c([C@@]2(F)CC=CC(CCCCC)=C2F)c1 198866480 KAZZSUGOFOTCDX-PMERELPUSA-N 436.630 9.795 30 10 IKEE C=C1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2[C@@H]1C 257633910 XWMMEBCFHUKHEX-RYXRNERWSA-N 426.729 8.025 30 10 IKEE endogenous,in-man CCCCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(O)cc2)c1 526514343 AKRUKRBJTMMEIG-VWLOTQADSA-N 440.499 5.500 30 10 IKEE CC(C)COc1cccc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2cccc(C#N)c2)c1 526516113 MUKUWFXIHIAPMX-QHCPKHFHSA-N 430.529 5.712 30 10 IKEE CCOc1ccc([C@H]2C(c3cccc(OC)c3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526516668 QDCKTEDTQILHJK-DEOSSOPVSA-N 426.472 5.023 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@@H]2CCCCN2C(=O)OC(C)(C)C)cc1 698871842 WQKSSBYJLQMLAA-CPJSRVTESA-N 443.588 5.808 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C1 724073654 WIOOONOTBBCIIV-WAIKUNEKSA-N 449.979 5.669 30 10 IKEE C=CCOc1ccccc1C=NNc1nc(-c2ccc(C)cc2)c(-c2ccccc2)s1 1083891154 NRCIHQDYQOFCLU-UHFFFAOYSA-N 425.557 6.796 30 10 IKEE C=CCc1cc(/C=C2/S/C(=N\CC)N(CC)C2=O)cc(OC)c1OCc1ccccc1 1084413608 GNFNUEVPKUBEOA-HNEFAFEWSA-N 436.577 5.315 30 10 IKEE C=CCCC1(CNC(=O)CSCc2nc(O)c3c4c(sc3n2)CCCC4)CCCC1 1166529115 RBXJFAXAYUFQTI-UHFFFAOYSA-N 445.654 5.152 30 10 IKEE CN1C(=O)/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)SC1=Nc1ccccn1 1772730533 LCKKURUKPNPKAU-CXJFQJJYSA-N 435.936 5.548 30 10 IKEE C/C(=C1\SC(=Nc2cccc(C(=O)O)c2)N(c2ccccc2)C1=O)c1ccc(N)cc1 1772734319 DVGVEIKERNBKFB-LLLXPECQSA-N 429.501 5.166 30 10 IKEE Cc1ccc(C(=O)Nc2cccc(OCC(=O)Nc3sc4c(c3C#N)CCCC4)c2)cc1 1860091774 BNXIQLMGGQCINZ-UHFFFAOYSA-N 445.544 5.077 30 10 IKEE CCCCCCCCCOc1ccc(NC(=O)Cc2ccc(Br)s2)cc1 1860162365 MKZCWJZANDTXJZ-UHFFFAOYSA-N 438.431 6.821 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCSC)NC(=O)c1c(F)cccc1Cl 1861844128 FKNPFVPQIPLSAZ-IBGZPJMESA-N 445.044 5.588 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@H]1c1ccc(F)cc1 1862390597 HSRRJAMDGPBKAC-XMMPIXPASA-N 437.555 6.327 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccc(C)cc2)cc1C 1862400860 OJHZMRQFHAOZOI-CLOONOSVSA-N 441.527 5.652 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(Cl)cc1Cl 1862408162 FZFHTORBIKHAPV-RBZFPXEDSA-N 448.346 5.687 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1cccc(F)c1)c1ccc(F)cc1F 1862413824 LSOCWKDANBYOJN-NRFANRHFSA-N 429.438 5.405 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)cc1 1862414135 SINMSUBNGBFOHI-PNDGYVOYSA-N 439.502 5.684 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccccc1 1862429231 IVFMGFBBSKTDFZ-OAQYLSRUSA-N 427.928 5.125 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(C)cc1 1862429405 MDRVGZZRPHYORB-QHCPKHFHSA-N 439.983 6.587 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccccc1F 1862441831 DEVHNWWEQJVNBP-YFZFPPMRSA-N 427.903 5.636 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cc(Cl)cc(Cl)c1 1862444121 UILCSPSOEUBRJX-SFHVURJKSA-N 438.738 6.025 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2ccc(F)cc2F)cc1 1862476716 DKIKSHVYVDWZAD-NRFANRHFSA-N 439.483 5.156 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)c1 1862478630 MHPDTOADTSYMED-KUWBRRTOSA-N 433.548 5.551 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC(C)C)c(OC)c1 1862483492 BDRCJBALVWFCJW-GAJHUEQPSA-N 437.536 5.168 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc2c(c1)CCCN2C 1862498976 VMOUFUUGFUJCIS-HOYKHHGWSA-N 432.564 5.063 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2ccccc2F)ccc1F 1862501317 ABTLMVFCAQUJGK-OAQYLSRUSA-N 439.483 5.156 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccccc2C)cc1 1862507674 QOBVGFDVGLZIBA-DEOSSOPVSA-N 429.491 5.529 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@H]2c2ccccc2)cc1 1862531904 DWLWXOZEXNWXJR-VWLOTQADSA-N 425.528 5.378 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2[C@@H](C)CC)c1 1862546909 ITSCFEYABSNGQM-XDHUDOTRSA-N 433.548 5.341 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCCCc2ccccc2)c1 1862554694 IPVIQAYMHYSACU-RUZDIDTESA-N 440.543 5.178 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(C(C)(C)C)cc2)=C(O)C(=O)N1CCCCN(C)C 1862613462 IJNKBZQKAVAGEG-XMMPIXPASA-N 448.607 5.213 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CC(C)C)cc1 1862618923 JMIIPEKHUHPTDQ-QHCPKHFHSA-N 435.564 5.617 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2cccc(Cl)c2)cc1 1862660584 KHBBJFBZMLSFRU-RBBKRZOGSA-N 439.939 5.221 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CC(C)C)cc1 1862668232 UGTDAGPJFHFPKS-RUZDIDTESA-N 448.607 5.891 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862677001 WFDOLPYNUCXYFN-QRQCRPRQSA-N 446.434 5.073 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1c(F)cccc1Cl 1862755957 IEHCPGPJMGSWEH-IBGZPJMESA-N 446.862 5.012 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(C(C)(C)C)cc3)C2=O)cc1C 1862873950 OGAQXJGCUWPORM-UHFFFAOYSA-N 449.554 5.869 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)cc2F)=C(c2ccc(C)c(C)c2)C1=O 1863255465 TVLPXGUZDDLUGR-UHFFFAOYSA-N 440.534 6.134 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2F)=C(c2c[nH]c3ccccc23)C1=O 1863487890 LVCSNWQXSJLFPD-UHFFFAOYSA-N 433.527 5.860 30 10 IKEE CCCCCOc1ccc(/C=C(/C(=O)Nc2ccc(C#N)cc2)c2ccccc2)cc1OC 1865909389 SYKPPXSHGQVOKK-XIEYBQDHSA-N 440.543 6.315 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(C(C)C)cc2)c(=O)cc1CN(CC)CC 1870472000 FBXIIZMZTROEBX-UHFFFAOYSA-N 440.672 6.753 30 10 IKEE CCCCCCCCCCn1cc(OCCC)c(=O)cc1CN1CCc2ccccc2C1 1870658186 ZTJOEDHZMCRUIK-UHFFFAOYSA-N 438.656 6.336 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(C)cc2)c(=O)cc1CNc1ccccc1 1871206584 XCOMEPIJZIJQTB-UHFFFAOYSA-N 432.608 6.708 30 10 IKEE CCN(CC)CCN1COc2c(cc3c(c2C)O/C(=C\c2ccc(C(C)C)cc2)C3=O)C1 1871356218 ZMAZRCAWRGVPDW-OYKKKHCWSA-N 434.580 5.228 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(Cl)c(Cl)c4)c3C)C2=O)o1 1871372320 KLCATSYQUJXWKH-GRSHGNNSSA-N 429.255 6.039 30 10 IKEE COc1ccc(CC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1OC 1871374573 RIMLYVOVWWPJBR-OYKKKHCWSA-N 444.483 5.085 30 10 IKEE CN(Cc1c(O)ccc2c1O/C(=C\c1cccc(Br)c1)C2=O)C1CCCCC1 1871393429 MENUPEZQMRNPLC-BKUYFWCQSA-N 442.353 5.535 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCc4ccc(C(=O)OC(C)C)cc4)cc(C)c3C2=O)o1 1871414871 QRBMPVLXFMAAFN-FMCGGJTJSA-N 432.472 5.657 30 10 IKEE COc1ccc(CCOc2ccc3c(c2)O/C(=C\c2ccc(-c4ccccc4)cc2)C3=O)cc1 1871448759 ZIVDIIIYRALAFX-CEUNXORHSA-N 448.518 6.600 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O)Nc1ccccc1 1871459836 GVPHOXMCLFCLDO-PKAZHMFMSA-N 447.490 5.987 30 10 IKEE CCN(CC)C(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 1871460752 CTJFCKNEVUPZDS-XYGWBWBKSA-N 441.527 5.525 30 10 IKEE CCCCCCCCN=c1nc(N(C)Cc2ccccc2)[nH]c(=Nc2ccccc2CC)[nH]1 1871559334 SXFNRKXXGXOLAD-UHFFFAOYSA-N 446.643 5.430 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)CCCC 1871806563 XWIRHIOOLJGKTR-LJQANCHMSA-N 448.551 5.067 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cccc(Cl)c1)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872224354 HULVXWPFUOIMNE-JOCHJYFZSA-N 449.016 5.187 30 10 IKEE N#C[C@@H](C(=O)CCCOc1ccccc1Cl)c1nc(-c2cccc3ccccc23)cs1 1872775567 UHCQZNMQOKOMOI-FQEVSTJZSA-N 446.959 6.652 30 10 IKEE CC(C)c1ccc(O[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3cccc4ccccc34)cs2)cc1 1872775609 VNQLVPXMIYFYDS-MHECFPHRSA-N 440.568 6.730 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@@H](C#N)C(=O)Cc2ccc(F)cc2F)n1 1872784890 ZPENNKUQKXPOIV-HNNXBMFYSA-N 432.879 5.478 30 10 IKEE CCCCCCCCN1C(=O)C(NCCc2ccccc2)=C(c2c(C)cc(C)cc2C)C1=O 1873115201 HCAHTMDVWWJHGM-UHFFFAOYSA-N 446.635 5.885 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2OC)C(=O)N(C2CCCCC2)C1=O 1873153098 VTJOTBDAVWNTKR-UHFFFAOYSA-N 440.628 5.838 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(OC)c2)=C(c2c(C)cc(C)cc2C)C1=O 1873331526 OUKGVMUUDUPIHA-UHFFFAOYSA-N 448.607 6.173 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(OCCCC)cc2)=C(c2cccc(Cl)c2Cl)C1=O 1873342156 VGKFMBHIXGQKBV-UHFFFAOYSA-N 445.346 5.550 30 10 IKEE CCCCCCCCNC(=O)c1cc2c(N3CCCC3)ncnc2n1Cc1ccccc1 1873583798 FFDYNGLJCIXRJP-UHFFFAOYSA-N 433.600 5.170 30 10 IKEE C=CCn1c(C(=O)Nc2ccccc2C(C)C)cc2c(NCc3ccccc3C)ncnc21 1873618841 KCSSAVIPLKJHNT-UHFFFAOYSA-N 439.563 5.914 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(Cl)c(Cl)c1)n2CC=C 1873657050 VEKQNHHXTXPUSL-UHFFFAOYSA-N 442.350 5.355 30 10 IKEE COc1ccc(CCc2nnc(SCc3cccc(C)c3)n2/N=C/c2cccs2)cc1 1874306206 LEVNPDRRDIVYSA-PCLIKHOPSA-N 448.617 5.616 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(OC)cc1OC 1874367082 JYLPNYKQLFLZCH-FSJBWODESA-N 428.945 5.166 30 10 IKEE Fc1cccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2-c2cccs2)c1 1874425612 RCERYEMCXDUKPZ-BHGWPJFGSA-N 446.935 6.113 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccccc1 1874578557 UKRQLUUGNJHFAC-WUKNDPDISA-N 435.523 6.370 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccccc1OCc1cc(C)ccc1C 1874584237 DTAOPCPJUQRJJA-FYWRMAATSA-N 428.572 7.085 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1OCc1cc(C)ccc1C 1874592869 GNPUIKDTUHFUNH-GZTJUZNOSA-N 448.562 7.454 30 10 IKEE CCc1ccccc1NC(=O)COc1cccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)c1 1874599599 VGSGVEMJDZEULA-CCEZHUSRSA-N 441.571 6.396 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 1874600438 MLDQJMCZOAUNJD-DHZHZOJOSA-N 437.879 6.040 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1Cl 1874602265 CIIZUZBBLLYQMA-UKTHLTGXSA-N 449.978 6.417 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OCc1cccc(Cl)c1 1874611998 WBAVQUJCAYVVME-UXBLZVDNSA-N 428.862 6.492 30 10 IKEE C=CCOc1c(Cl)cc(/C=C/C(=O)c2ccc(OCCC)c(OCCC)c2)cc1OC 1874612730 JKGIYXZJPBKALU-CSKARUKUSA-N 444.955 6.387 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Cl)c1OCc1cccc(F)c1 1874618832 VHYHKCQDKUJGCJ-RMKNXTFCSA-N 428.862 6.410 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OC 1874620252 PZLBQPQTWFDNBT-YRNVUSSQSA-N 427.516 5.066 30 10 IKEE C=C(C)COc1c(Br)cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OCC 1874624198 QTWUBTSYHWVRQL-KPKJPENVSA-N 443.381 6.822 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)Cc1ccc(C)c(C)c1 1874692892 CDPAINUBQDEYFP-PKNBQFBNSA-N 445.471 5.264 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(-n3cccc3)cc2)c1)c1ccc2ccccc2c1 1874693611 NVTDTHGBUJISJY-LICLKQGHSA-N 443.502 6.746 30 10 IKEE CCCCC1CCC(C(=O)Oc2cc(/C=C/C(=O)c3ccc(CC)cc3)ccc2OC)CC1 1874693978 GJPMHNXYICLABZ-LDADJPATSA-N 448.603 7.056 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccc(OC)cc3)c2)cc1 1874700333 NAVAKSXWINYTFI-VIZOYTHASA-N 446.499 5.147 30 10 IKEE COc1cccc(CCC(=O)Oc2cc(/C=C/C(=O)c3ccc(C)cc3)ccc2OC)c1 1874702754 HXVQYVDCUCCDOC-NTEUORMPSA-N 430.500 5.447 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(F)c(C)c3)c2)cc1OC 1874704076 VZKKICSUTLTMIV-YRNVUSSQSA-N 434.463 5.196 30 10 IKEE COc1cccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)ccc2OC)c1 1874706040 MUIWEWJXRUGEQG-OQLLNIDSSA-N 444.527 6.117 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)c2cccnc2)c1 1874711696 GIXRBFKFXOPFEW-BQYQJAHWSA-N 428.271 5.512 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc1OC(=O)c1cccnc1 1874714664 IOFISZVNMDTTRL-SOFGYWHQSA-N 437.879 5.176 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc(Br)c1O 1874719739 ZLGGGNMXAXUIQQ-AATRIKPKSA-N 425.706 5.420 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1Cl 1875104799 OSJPENDDXPVTAX-YRNVUSSQSA-N 439.766 7.419 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3F)cc2Cl)c1 1875121024 VZTMQLRNGDKHTA-WEVVVXLNSA-N 428.818 5.742 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1c(F)cccc1Cl 1875127563 MHLHJLSSWIUIBN-VZUCSPMQSA-N 445.273 6.256 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3F)c(Cl)c2)cc1 1875137563 SOIWRRVHYKLVEV-NTUHNPAUSA-N 438.882 6.383 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(OC)ccc2OC)cc(OC)c1OC(=O)C(C)(C)C 1875147561 ZNQSFYLKKRCXEI-ZRDIBKRKSA-N 438.520 5.289 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(OC)c1OC(=O)CC(C)(C)C 1875154300 XLMQSEJWRPVJIY-BUHFOSPRSA-N 432.516 6.095 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)cc1 1875156059 IVMUULSGUAXXCY-LHHJGKSTSA-N 449.890 6.487 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2)c1 1875156410 ZBYOUUCZGXYJOW-WOJGMQOQSA-N 442.555 6.779 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)Cc1ccccc1 1875158931 UFXVYRRZZUBVPP-XNTDXEJSSA-N 430.475 5.607 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OC(=O)c1cccnc1 1875168401 AQJZUYMSDJSXSQ-MDZDMXLPSA-N 445.515 5.448 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(Cl)cc3)cc2)c(C)c1 1875182514 HBBDWAZVXWGZSZ-AWNIVKPZSA-N 434.919 6.146 30 10 IKEE CC(C)(C)CC(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1Cl 1875189495 STQADKAGZXNHIQ-XBXARRHUSA-N 425.739 6.885 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(Cl)ccc3OC)cc2)c1 1875192796 CJDXGZSIPXOZLQ-UKTHLTGXSA-N 436.891 5.863 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)ccc1OC(=O)C(F)(F)F 1875193568 PXGLLQRDXZJYMZ-QPJJXVBHSA-N 428.790 5.111 30 10 IKEE C=CCn1c(C(=O)N2CCC(C)CC2)cc2c(NCCCCCCCCCC)ncnc21 1875228873 IYGZGMWLTREYPK-UHFFFAOYSA-N 439.648 6.042 30 10 IKEE C=C(c1ccccc1)[C@@H](NC)c1cc(Br)ccc1I 1888690090 VXMZOPDULIENTN-MRXNPFEDSA-N 428.111 5.028 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)Cc3cc(Cl)cc(Cl)c3)ccc21 1890582501 BIZPDQOLRHZVDT-UHFFFAOYSA-N 433.335 5.112 30 10 IKEE COc1cccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)c1Br 1927303669 JNLUDJPBKLQJGP-INIZCTEOSA-N 435.293 5.603 30 10 IKEE CC(C)(C)OC(=O)NCC[C@@H]1CC[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 1933917137 MGVDGVONWCTLBH-DFBJGRDBSA-N 443.588 5.401 30 10 IKEE C#CCCN(CCC)C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)CC 1984778026 AVIOOKFBYBTFFC-FQRUVTKNSA-N 446.591 5.202 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1C[C@@](C)(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 2001938719 LNCOZWIEVUAQDV-QRWLVFNGSA-N 449.514 5.248 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@]1(C#N)CCCCN(Cc2ccccc2)C1 2003428390 OZRGMZTVDIAXEZ-VWLOTQADSA-N 439.987 6.030 30 10 IKEE CC(C)(C)OC(=O)NCc1ccc([C@](C)(C#N)N(C(=O)OC(C)(C)C)C2CCC2)cc1 2014216571 QVZWIXGHQILPGJ-DEOSSOPVSA-N 429.561 5.240 30 10 IKEE C=C([C@@H](NC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(F)(F)F 2016751344 IHLRZTAGZFERLL-XMMPIXPASA-N 427.466 6.224 30 10 IKEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@H](C)C[C@H]1CCCCCN1C(=O)OC(C)(C)C 2020331122 BIKBJPRBBDKPRO-VQTJNVASSA-N 439.641 5.005 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1cccc2c1N(C(=O)OC(C)(C)C)CC2 2045769713 JRWQROKOXOHGJT-XMMPIXPASA-N 436.596 5.798 30 10 IKEE C=C([C@H](NCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(C)(C)C 2071267613 RAKVKKUQUAEAOA-NDEPHWFRSA-N 429.604 7.098 30 10 IKEE C=CC[C@@H](NCCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071348501 XDRVWDVOSWCGPJ-LEAFIULHSA-N 431.576 5.822 30 10 IKEE CC(C)Oc1ccc([C@@H](n2nc(C3CC3)c(C=NO)c2Br)C2(C)CC2)cc1 2080125362 FWCRWWGCZYEMCC-LJQANCHMSA-N 432.362 5.508 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCCC)c2scc(Br)c2C)C1 2126637151 ZJXRGXLKPNXDTK-KRWDZBQOSA-N 443.451 5.721 30 10 IKEE Cc1ccc(C[C@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)cc1 2159877425 AYQSUPYLYGXBDG-JOCHJYFZSA-N 429.358 6.024 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H](CNc1cc(Br)c(C#N)cc1F)C2 2162288089 NGPGLHALPMQAJK-XMQYKBBCSA-N 438.341 5.050 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(C#N)c(Br)c2F)CC12CCC2 2162347548 YJWXDEJMPFRCJN-AWEZNQCLSA-N 438.341 5.194 30 10 IKEE Cc1ccc2c(c1)CC[C@]2(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2163704986 JOFNLVRSTCTQNN-JOCHJYFZSA-N 427.342 5.864 30 10 IKEE CC(C)(C)OC(=O)NC1(c2cccc(Nc3ccc(Br)cc3C#N)c2)CC1 2169062309 VOBPQPGTZJXWHS-UHFFFAOYSA-N 428.330 5.578 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(C#N)c(F)c2)cc1Br 2181051285 ZENGWPGNHXXQBC-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE N#Cc1ccc(Oc2ccc(Cl)c(Cl)c2Br)c(F)c1Br 2206353052 GLTFBOZEJWAVGS-UHFFFAOYSA-N 439.893 6.321 30 10 IKEE CC1(C)CC=C(C(=O)[C@H](Cc2ccc(Br)cc2)NC(=O)OC(C)(C)C)CC1 2237405368 QQBHNJUARIRPMD-SFHVURJKSA-N 436.390 5.591 30 10 IKEE CCc1ccc(C#C[C@H](O)c2cc(NC(=O)OC(C)(C)C)ccc2Br)cc1 2239649983 MSURIRQAUWTUPJ-FQEVSTJZSA-N 430.342 5.444 30 10 IKEE C[C@@H](N(Cc1ccccc1)C(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2247774155 TYGJGNZTFXJTNX-QGZVFWFLSA-N 427.419 5.124 30 10 IKEE Cc1cc(C(=O)N(Cc2ccccc2)CC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2247850878 AVVOXCKNGXHHAW-UHFFFAOYSA-N 427.419 5.044 30 10 IKEE C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1cccc(Cl)c1B1OC(C)(C)C(C)(C)O1 2256088744 LQJWOASNGFIERT-QGZVFWFLSA-N 439.792 5.080 30 10 IKEE CCCN[C@H](C#CC1CCCCC1)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2260977185 QQSFNDZJMBDWKK-FTBPSBKWSA-N 442.644 5.437 30 10 IKEE CC(C)(C)OC(=O)Nc1cc([C@@H](N)C#Cc2ccc(Br)cc2)ccc1Cl 2278813339 GOYXEPWTYNWRLJ-KRWDZBQOSA-N 435.749 5.501 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)CCC[C@@H](C)NC(=O)OC(C)(C)C 2296286551 MMFAOFOWLPZXCL-YLJYHZDGSA-N 437.422 5.252 30 10 IKEE C=CCN1C(=O)C(=C2Sc3ccccc3N2CC)SC1=Nc1ccc2ncccc2c1 2297708355 YWYFFSBCNNTBCW-UHFFFAOYSA-N 444.585 5.785 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1CCCC12CN(C(=O)OC(C)(C)C)C2 2301375753 KDLUETZEPJNVRP-DHIUTWEWSA-N 428.617 5.165 30 10 IKEE CCOc1cccc(C=C2Oc3cc(OC)ccc3C2=O)c1OC(=O)c1ccccc1F 2314527497 VVMINTCBCQJIOE-UHFFFAOYSA-N 434.419 5.068 30 10 IKEE CC(C=NN=C1SC(=Cc2cccnc2)C(=O)N1Cc1ccco1)=Cc1ccccc1 2314841224 RENBDECNXOOQQQ-UHFFFAOYSA-N 428.517 5.236 30 10 IKEE Cc1ccc(Cc2nnc(S)n2N=Cc2ccccc2OCc2ccc(Cl)cc2)cc1 2321968508 VTNFARYCERTNOW-UHFFFAOYSA-N 448.979 5.581 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(Br)cc1)O3)CN(CC(C)C)CO2 2322071635 SRJWHVBVSDTBMQ-UHFFFAOYSA-N 428.326 5.182 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Br)cc(Br)c1OC 2322481347 AGENPOYIMJYPDB-UHFFFAOYSA-N 426.104 5.125 30 10 IKEE COC(=O)COc1ccc2ccccc2c1C=CC(=O)c1cc(C(C)C)c(OC)cc1C 2322795194 IZXIADSTPKDEHZ-UHFFFAOYSA-N 432.516 5.728 30 10 IKEE CCCOc1c(C=CC(=O)c2cc(OC)c(Cl)cc2OC)cc(Cl)cc1OC 2322872584 KTMJLYXKPXPVEA-UHFFFAOYSA-N 425.308 5.704 30 10 IKEE COc1cc(C=NNc2ccc(Cl)cc2)cc([N+](=O)[O-])c1OCc1ccccc1C 2322953051 OQUGWYKMZVZMEJ-UHFFFAOYSA-N 425.872 5.590 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)N[C@H](C)c3ccccc3)c2)c(C)c1C 2323247913 DGKPLDBATBPNJD-OAQYLSRUSA-N 443.543 5.464 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OC(=O)c4ccc(C(F)(F)F)cc4)c3C)C2=O)c1 2323353009 UUUQGSYVDXQTKV-UHFFFAOYSA-N 438.401 6.158 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1cc(C)ccc1C 2323378744 RESFYVZLFIZVTD-UHFFFAOYSA-N 431.488 6.085 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCc3cccc(Cl)c3)c([N+](=O)[O-])c2)cc1 2323540549 RZEREXNAGCSRFB-UHFFFAOYSA-N 449.934 7.066 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)c4cc(Cl)ccc4Cl)ccc3C2=O)cc1 2323581060 QGPMLTZPMZMMME-UHFFFAOYSA-N 441.266 5.837 30 10 IKEE Cc1cc(OC(=O)CCOc2ccccc2)cc2c1C(=O)C(=Cc1ccc(Cl)cc1)O2 2323680869 SYGDTPNSTZHFSA-UHFFFAOYSA-N 434.875 5.639 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1cccc(Cl)c1 2323766934 UMDQGHZOSRDOED-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)c(C)c1 2323854688 OYLGWXYXVKHURB-UHFFFAOYSA-N 437.898 6.010 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)OCC(C)C)c(Cl)c2)cc1 2323922472 DOUVSFJGOOJFFM-UHFFFAOYSA-N 430.928 5.603 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OCc3ccccc3C)c([N+](=O)[O-])c2)c1 2324023493 IRXOLYVGXSYJST-UHFFFAOYSA-N 433.460 5.396 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1Cl 2324194705 NOMXIRPVWHBCTA-UHFFFAOYSA-N 445.317 7.006 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OCC(=O)N[C@H](C)c1ccccc1 2324194707 NSNRATHNENXMEY-LJQANCHMSA-N 447.506 5.377 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccccc1)C2=O 2324514865 XZRYTDOVENKIHE-KRWDZBQOSA-N 447.918 5.979 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 2324693572 ONKIPSKBLIKBDK-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE Cc1c(OCc2ccc(C#N)cc2)ccc2c1OC(=Cc1ccc(Br)cc1)C2=O 2324760616 FBRQKPJFPGGWIU-UHFFFAOYSA-N 446.300 5.824 30 10 IKEE COC(=O)c1ccc(COc2ccc3c(c2)OC(=Cc2c(F)cccc2Cl)C3=O)o1 2325373086 RQHPYEGWGXFCQX-UHFFFAOYSA-N 428.799 5.054 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1N=Cc1ccccc1OCCC 2325514010 LCDIGULGFOINOX-UHFFFAOYSA-N 426.561 5.723 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(Cl)c(Cl)c3)c2)cc1 2325719050 PUSWTBKFTISPRY-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE CCCCc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2cccs2)C3=O)cc1 2325719706 WBSCPEPJHGODGO-UHFFFAOYSA-N 447.556 6.033 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3c(c2C)OC(=CC=Cc2ccccc2)C3=O)c1C 2325738318 VGDNTMCIXNHGQK-UHFFFAOYSA-N 439.511 5.802 30 10 IKEE Cc1cc(C(=O)C=Cc2cccc(OC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)c2)ccc1F 2325741946 JFHIINNJDFCFOJ-HXUWFJFHSA-N 446.518 6.527 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(C)c(C)c3)c2)c(OCC)c1 2325762839 KGIAYIPFYBSGDE-UHFFFAOYSA-N 444.527 6.216 30 10 IKEE C=CCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc(OC)cc1 2326603934 BGVHCWMZGZRKEB-UHFFFAOYSA-N 428.561 5.385 30 10 IKEE Cc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1ccccc1OCc1ccccc1 2326660882 HQQRPRGABNKZNL-UHFFFAOYSA-N 439.544 5.212 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1ccc(F)cc1F 2328566964 KRRUHCCMFBQPPJ-UHFFFAOYSA-N 428.508 5.096 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2)n1N=Cc1cn(C)c2ccccc12 2328760259 LMJZNFPJIUYCNO-UHFFFAOYSA-N 433.581 5.166 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3C)n2N=Cc2cccn2C)cc1C 2328925967 LYKBBSHSIKQBGW-UHFFFAOYSA-N 443.620 5.502 30 10 IKEE Cc1ccc(C)c(CSc2nnc(COCc3ccccc3)n2N=Cc2ccncc2)c1 2329342904 YWLWJBHVKVKAGH-UHFFFAOYSA-N 443.576 5.181 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc[nH]1 2329622797 RQXIOPCRSCQNTH-UHFFFAOYSA-N 446.338 5.894 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2)n1N=Cc1c[nH]c2ccccc12 2330103785 FCSSHOORVJGHEO-IBGZPJMESA-N 437.572 6.086 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OC(=O)COC 2330821855 NOTVZSJEAPHENY-UHFFFAOYSA-N 435.303 5.178 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2330840958 UUZXGQXLBMHZOD-UHFFFAOYSA-N 443.960 5.603 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3cccc(C)c3)c(OC)c2)cc1C 2330857231 CQKGRSGMSIHLGT-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2)ccc1OC(=O)c1cncc(C)c1 2330874545 QZKHKRVOURPAFE-UHFFFAOYSA-N 431.488 5.221 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2cccs2)cc1C 2331025508 DDUZYTQNUBFFES-UHFFFAOYSA-N 439.610 5.227 30 10 IKEE COc1cc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CCCC2)ccc1O 2331086544 JIHCHMQFOJPTRH-UHFFFAOYSA-N 442.972 5.478 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3cccc(Cl)c3)cc2[N+](=O)[O-])cc1C 2331123832 BUWZCDVRQHAPJJ-UHFFFAOYSA-N 449.890 5.909 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)c1ccccn1 2331138242 UZDBLYVSRQYDBR-UHFFFAOYSA-N 428.271 5.512 30 10 IKEE CCCCc1nnc(SCc2ccccc2C)n1N=Cc1ccc(Cl)c(Cl)c1 2331322681 DCEDWUMIVFVPKD-UHFFFAOYSA-N 433.408 6.410 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2F)c(Cl)c1)c1ccc2c(c1)OCCO2 2331398800 MHSIFCDCPNAGDY-UHFFFAOYSA-N 438.838 5.366 30 10 IKEE CC(C)Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccc(C(C)C)cc1 2331443996 WOXMXQQXAOTDRR-UHFFFAOYSA-N 437.569 5.683 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(F)c2)cc(OC)c1OC(=O)c1ccccn1 2331464402 KTJKKGCGJODYCS-UHFFFAOYSA-N 447.462 5.082 30 10 IKEE COc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C2CCC2)cc1O 2331547676 FHTGVSRTXQGTQK-UHFFFAOYSA-N 446.935 5.227 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)c1ccccc1F 2331632239 KOOUAVIRBBHWBB-UHFFFAOYSA-N 434.463 5.575 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(F)cc1F 2331661932 LAZHCLJTGAVIKC-UHFFFAOYSA-N 441.334 5.990 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1C(C)C 2331688812 CXEZUVWAGZXREO-UHFFFAOYSA-N 439.541 5.273 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)c(F)c3F)cc2)c(OC)c1 2331717137 VLFRXWIHDUXVKQ-UHFFFAOYSA-N 442.389 5.236 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)ccc1OC(=O)C1CCCC1 2331869756 HEIULAMJGKXLQC-UHFFFAOYSA-N 444.527 6.239 30 10 IKEE CCCCCCCCCCC[C@@H](O)c1sc(Cl)cc1I 2364117559 SWOXFRWTPVBUED-CQSZACIVSA-N 428.807 6.960 30 10 IKEE Cc1cc(CSCc2ccccc2Br)ccc1B1OC(C)(C)C(C)(C)O1 2369735524 MUBCADGYHUXOBP-UHFFFAOYSA-N 433.220 5.490 30 10 IKEE CCCCCCCCNC(=O)c1cnn2c(C)c(Cc3ccc(Cl)cc3)c(C)nc12 3033329 VWRKWJLUKVOOCN-UHFFFAOYSA-N 426.992 5.681 30 10 IKEE C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)S/C1=N\c1cccc2ccccc12 16713222 AIMXGCGQNSPXDQ-AQTDBHCXSA-N 449.963 5.640 30 10 IKEE C=C[C@H]1CN2CC[C@H]1C[C@@H]2CN(Cc1cc2ccccc2o1)Cc1cc2ccccc2o1 20462752 OTZLGHULPFHRHI-AWRGLXIESA-N 426.560 6.078 30 10 IKEE biogenic O=C1C[C@@H](c2ccccc2Cl)CC2=C1[C@@H](c1cc(F)ccc1F)Nc1ccccc1N2 21250347 DBLYXEQZABJMMY-HWRSSNJWSA-N 436.889 6.598 30 10 IKEE CC(C)COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 21255165 AHONFAWCVJGPQN-PZGXJGMVSA-N 438.571 6.701 30 10 IKEE CC[C@@H](Sc1cc(C)c2ccccc2n1)C(=O)Nc1c(C#N)cnn1-c1ccccc1 32528505 CCLSTLSZPQGFDQ-OAQYLSRUSA-N 427.533 5.110 30 10 IKEE Cc1cccc(N/C(=N\C(=O)c2ccccc2F)NCCc2c[nH]c3ccccc23)c1C 32943447 XVNPQHSVOSBBHB-UHFFFAOYSA-N 428.511 5.364 30 10 IKEE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/Nc2ccc(F)cc2)CCC3)cc1 40823865 ALXNGFAMOCCIHT-ZTKZIYFRSA-N 449.482 5.309 30 10 IKEE C(=N/c1cc2c3c(c1)[C@@H](c1ccccc1)CCN3CC[C@H]2c1ccccc1)\c1cccnc1 59506194 OBHRBTYPODQXGF-RVLHIEJWSA-N 429.567 6.710 30 10 IKEE CSc1nc(/N=C2\NN=C(c3ccccc3)CS2)c2c3c(sc2n1)CCCC3 62041347 AIJQTTQTXVUEEO-UHFFFAOYSA-N 425.608 5.020 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(ccc(OC(=O)c4cccnc4)c3C)C2=O)cc1 62883619 CRHYTGCZHJUYIS-HAHDFKILSA-N 428.488 5.072 30 10 IKEE COc1ccc(Cl)cc1N/C(=N/C(=O)c1ccccc1)NCCc1c[nH]c2ccccc12 66437742 RKFWFGOHOHODIU-UHFFFAOYSA-N 446.938 5.271 30 10 IKEE CCCCCCCOc1cccc(NC(=O)CNc2ccccc2OC[C@@H]2CCCO2)c1 100094389 HUXAZIAZJJCHIS-QHCPKHFHSA-N 440.584 5.644 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2ccc(OCCC)cc2)cc1 100154333 VAESDSOKKHKMKR-UHFFFAOYSA-N 428.598 5.951 30 10 IKEE CCCCCCCOc1cccc(NC(=S)NC(=O)c2cccc(O[C@H](C)CC)c2)c1 100258467 KZLOLEWDBDCRBM-LJQANCHMSA-N 442.625 6.340 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(N2CCCC[C@@H]2C)c1N 101514718 BVNWYGJTRODYKS-QHCPKHFHSA-N 431.713 7.331 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2cccc(C)c2)cc1 169922814 SSCBYAAGIUERDF-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(C)cc2C)cc1 169925759 BTFZUIZFLONXNJ-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE O=C1CCCC2=C1[C@@H](c1cccc(OCc3c(Cl)cccc3Cl)c1)NC(=S)N2 169938919 UMFPUUORDDNZGC-HXUWFJFHSA-N 433.360 5.098 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2cc(C)ccc2C)=C(O)C(=O)N1c1ccc(C)cc1 169944640 SGZOIQDZRODZEA-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2cccc(C)c2)c(C)c1 169970390 VZWIMKLAIYVLPT-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccs2)c1 169981854 QKDDBUSQBFYHIJ-FQEVSTJZSA-N 439.920 5.583 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]2c2cccs2)ccc1F 169986623 LMLUMVALNZZAIP-HXUWFJFHSA-N 441.911 5.940 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@H]2c2ccccc2)c1 170050479 UYJJIEGCIPVDHF-NRFANRHFSA-N 437.854 5.271 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 170055243 IHKMEPZJFJWYGJ-JOCHJYFZSA-N 435.882 5.300 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccc(F)cc2)c1 170061318 IQKKGUUWLVDBDH-DEOSSOPVSA-N 429.491 5.842 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)c1 170062810 NXYSFVMIVZTEGD-QFIPXVFZSA-N 435.882 5.879 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 170066577 OXUGOLDOACYBOB-YKSBVNFPSA-N 445.515 5.314 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccccc1F)c1ccc(Cl)cc1 170070473 MAEGPEREILZVMA-HXUWFJFHSA-N 442.273 5.915 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2cccc(O)c2)c1 170080564 JPEIVKJTTVRLJV-DEOSSOPVSA-N 443.499 5.191 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(O)cc1)c1ccc2ccccc2c1 170135706 MGLTYVQGDSQFEF-XMMPIXPASA-N 427.500 5.456 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(CCOC(C)C)[C@@H]1c1ccccc1 170222481 UEXUXYDWHIJBHD-HSZRJFAPSA-N 435.564 5.296 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC(C)C)c3)[C@@H]2c2ccco2)cc1 170283222 ZIVCAYMLUDUHLD-DEOSSOPVSA-N 445.515 5.660 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)c(OC)cc3C)[C@H]2c2ccc(C)o2)cc1 170301561 XYKDGFBMEWSIBO-HSZRJFAPSA-N 447.487 5.005 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 170421778 KWJIFXUBCICXCJ-JOCHJYFZSA-N 435.882 5.300 30 10 IKEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 170466845 NGMTVTVPVUVREO-JOCHJYFZSA-N 434.580 5.565 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(C)cc2)cc1Cl 526492508 ZLBVQKWCNCOCFH-DEOSSOPVSA-N 444.918 5.976 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(Cl)cc2)cc1 526518048 XSALJMKOLPJAMR-DEOSSOPVSA-N 444.918 6.058 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccc(C(=O)O)cc1 526808504 MUPWUFCKOQQBNY-QRVIBDJDSA-N 428.945 5.147 30 10 IKEE O=C(NCC#CCOc1cccc2ccccc12)c1cc(Br)ccc1Cl 585254426 ZWJUJSFWLUPNST-UHFFFAOYSA-N 428.713 5.068 30 10 IKEE C=CCN(CC=C)C(=O)Nc1cccc(C(=O)Nc2nnc(C3CCCCC3)s2)c1 586685793 UOYXPKUTGFWFGD-UHFFFAOYSA-N 425.558 5.044 30 10 IKEE C=CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(Br)cc(Br)c1 698965709 QNYJRAMZICOJCG-AWEZNQCLSA-N 430.140 5.199 30 10 IKEE COc1ccc(/C=C2\SC(=NN=Cc3ccccc3)N(N=Cc3ccccc3)C2=O)cc1 1084121202 NSYKGOPTNMOUEH-MUJISGSNSA-N 440.528 5.036 30 10 IKEE O=C(O)c1ccc(C(=NN=C(c2ccccc2)c2ccc(C(=O)O)cc2)c2ccccc2)cc1 1084479982 DGSUQHNXYJJRAX-UHFFFAOYSA-N 448.478 5.373 30 10 IKEE Cc1cccc(NC(=S)N/N=C\c2cn(-c3cccc(F)c3)nc2-c2ccc(F)cc2)c1 1857809620 ZXCHONCXHGPNOD-VYYCAZPPSA-N 447.514 5.446 30 10 IKEE CCCCCCCCCCn1cc(OCc2ccc([N+](=O)[O-])c(F)c2)c(=O)cc1C(=O)O 1857890715 ACJCFMYQNADCED-UHFFFAOYSA-N 448.491 5.314 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@H](C)CC 1861126018 MRPQJSJWEIDQIY-ZLEXTBCKSA-N 445.604 5.396 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 1861220678 VXWMEYNIBMMLHF-RPBOFIJWSA-N 443.676 5.050 30 10 IKEE CCCCCCCCNC(=O)[C@](C)(CC)NC(=O)c1ccc2nc(CC(C)C)[nH]c2c1 1861457692 MNDPQCDQIMMWRD-VWLOTQADSA-N 428.621 5.137 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)[C@@H](C)Oc1ccc(Cl)cc1 1861667533 MBXBUWMKVPGJNK-DENIHFKCSA-N 437.024 5.355 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 1861670403 OTQCKEDOEMLLGM-NQIIRXRSSA-N 425.013 5.259 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)c1ccc(F)c(F)c1F)c1ccccc1 1861786578 QLOZBUJGPYGHSB-QHCPKHFHSA-N 448.529 5.832 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] 1861825675 HYGZAPHVOSPZQM-LJQANCHMSA-N 437.968 5.110 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc3c(c2)CCCC3)n(-c2cccc(Cl)c2)n1 1862358845 GVLUMUQKIJASRQ-UHFFFAOYSA-N 431.967 5.886 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CCCCCO)cc1 1862379919 OJWNQCAPBBXNAI-HXUWFJFHSA-N 448.346 5.043 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1862399442 GMPMSJNDIPVPJU-FQEVSTJZSA-N 442.899 5.189 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccc(Cl)c2)[C@@H]1c1ccccc1)c1ccccc1Cl 1862429497 OSLFBVUGIGWXBS-OAQYLSRUSA-N 438.310 5.772 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862480789 PCXGNIYGAHCSSO-QFIPXVFZSA-N 434.492 5.204 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1c(F)cccc1Cl 1862505116 KPUYFMOKKPUREI-FQEVSTJZSA-N 433.882 5.695 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(N(CC)CC)cc2)cc1 1862539374 WUVOPAFXEWEKSG-RUZDIDTESA-N 446.591 5.616 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc(O)c1 1862674379 MUTYMIUQYDPBMK-KNQAVFIVSA-N 425.500 5.469 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862683573 QPJYQMBRBFBUBG-IBGZPJMESA-N 436.310 5.757 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccc(F)cc2F)c1 1862700895 QYXFIIANEFKHHO-WNSKOXEYSA-N 449.453 5.313 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(OCC)cc1 1862704197 UKATYGRKCFREHE-QHCPKHFHSA-N 437.536 5.253 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1 1862722528 SLWVYQXIMRSYBD-HHHXNRCGSA-N 445.518 6.132 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 1862728212 WDDYAOSUYZUYCM-HSZRJFAPSA-N 442.471 5.249 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862737446 XKTOTPGGBHURLK-HSZRJFAPSA-N 446.503 5.372 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1 1862893282 KZCDFKABCQHBGR-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3cccc4c3CCCC4)C2=O)c1 1863036392 LJWJSCRQWDRBHC-UHFFFAOYSA-N 447.538 5.451 30 10 IKEE N#Cc1cccc(N2C(=O)C(Nc3ccccc3Cl)=C(c3ccccc3Cl)C2=O)c1 1863076259 FDUXDZBLUAVMSQ-UHFFFAOYSA-N 434.282 5.262 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](NC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(C)C 1868865728 NBSQENRPYGEPMN-WOJBJXKFSA-N 425.400 5.074 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3ccccc3[C@@H]2C(C)C)nc(-c2ccc(C)cc2)n1 1869162406 XKKWIZJAYQWJMZ-NDEPHWFRSA-N 438.619 6.390 30 10 IKEE C=CCn1cc(OCCCCOc2ccc(C)cc2)c(=O)cc1CSc1ccccn1 1870225432 PJLDCUFTRMIUSZ-UHFFFAOYSA-N 436.577 5.268 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSC(C)C 1870233085 VYZRCJZQMFVRHX-UHFFFAOYSA-N 426.626 6.301 30 10 IKEE C=CCn1cc(OCc2cccc3ccccc23)c(=O)cc1CN1CCc2ccccc2C1 1870486052 CWIARHHGFNTXPX-UHFFFAOYSA-N 436.555 5.325 30 10 IKEE CCCCCCCOc1cn(CCCC)c(CNc2cccc(Br)c2)cc1=O 1870832543 YSQBMHJYZBADCQ-UHFFFAOYSA-N 449.433 6.372 30 10 IKEE CCCCCCCCN=c1nc2c(cnn2C)c(Nc2cc(C)c(Cl)cc2OC)[nH]1 1871295398 PKBHTGQHLFKHTE-UHFFFAOYSA-N 430.984 5.272 30 10 IKEE COc1cccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCc2ccc(F)cc2)C4)c1 1871344754 UOKNPQKMOFRZMK-OYKKKHCWSA-N 445.490 5.154 30 10 IKEE CCN(CC)CCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(C(C)C)cc1)C3=O 1871349246 RCLGQCWJUSFGAR-ONUIUJJFSA-N 448.607 5.700 30 10 IKEE Cc1ccc(CCN2COc3c(cc4c(c3C)O/C(=C\c3ccccc3Cl)C4=O)C2)cc1 1871359618 SQZKDBZATCFOGI-OYKKKHCWSA-N 445.946 5.968 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4C)cc(C)c3C2=O)cc1 1871372124 AOSLWBGXGZXJJT-UUYOSTAYSA-N 445.427 5.056 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc3C2=O)cc1 1871372846 OHAQVEWNCUEKJL-JJFYIABZSA-N 449.846 5.646 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccco2)C3=O)cc1Cl 1871401759 LVWKGCZLISUCER-SYZMQFJCSA-N 437.879 5.572 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccc(C)cc4C)cc(C)c3C2=O)c1 1871413136 AUFAIEXTOJFNAH-PUDRWSQFSA-N 441.527 5.942 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccc(Cl)cc4)cc(C)c3C2=O)o1 1871414582 NWKIZHVNUIMOIC-SYZMQFJCSA-N 437.879 5.572 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1Cl 1871456616 NOERQEIFSZBTMR-YVNNLAQVSA-N 437.854 5.421 30 10 IKEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1871825990 ZDPFKPGZTNYJMK-FQEVSTJZSA-N 428.598 5.021 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(F)cc1 1871835694 KHTJFJBZEFXRSF-HSZRJFAPSA-N 446.588 5.323 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 1872233154 MWDVIWIHSYVENI-NRFANRHFSA-N 434.989 5.023 30 10 IKEE COc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1OC 1872787825 SHAOCXQVQJLRHG-OAHLLOKOSA-N 447.343 5.553 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(OCC)c2)=C(c2ccccc2F)C1=O 1873189175 QIPAFXZLILJYHQ-UHFFFAOYSA-N 438.543 5.777 30 10 IKEE N#Cc1nc([C@@H]2C[C@@H]2c2ccccc2)oc1N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1873470438 IBVIJOUYVVHZSP-UEPQKOGYSA-N 448.482 5.483 30 10 IKEE Cc1ccc(COc2ccc(/C=N/Nc3oc([C@H]4C[C@H]4c4ccccc4)nc3C#N)cc2)cc1 1873470445 IFAOSZGUAQCAFJ-JTYSEGSDSA-N 448.526 6.151 30 10 IKEE Cc1ccccc1CSc1nncn1/N=C/c1cccc(OCc2ccccc2Cl)c1 1873501920 VWTISFJDAUDIFE-MZJWZYIUSA-N 448.979 5.993 30 10 IKEE CCCCCCCCNc1ncnc2c1ccc(=O)n2-c1ccc(OC(F)(F)F)cc1 1873538775 SZHXBTSTGJRCMH-UHFFFAOYSA-N 434.462 5.452 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874231148 VDJGRJUHYZWOFF-WSDLNYQXSA-N 445.932 5.111 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc(CC)cc1 1874231982 KVGPAYXXKTXGES-MTDXEUNCSA-N 440.616 6.329 30 10 IKEE C=CCSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1ccc(Cl)c(Cl)c1 1874328474 QAJCODMNTIYLDG-WYMPLXKRSA-N 447.391 5.941 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccc(C)c(C)c3)n2/N=C/c2ccc[nH]2)c1 1874329953 IZWHMZGNBRJSRL-LQKURTRISA-N 443.620 5.800 30 10 IKEE Cc1ccc(CCc2nnc(SCCc3ccccc3)n2/N=C/c2ccncc2)cc1C 1874330333 PTUVVUNQXZQBGS-TURZUDJPSA-N 441.604 5.292 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cc(C)ccc3C)n2/N=C/c2ccccc2F)cc1 1874388957 DGJNHGYEZQFVKF-LQKURTRISA-N 444.579 6.108 30 10 IKEE Fc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCc2ccccc2F)cc1 1874412401 MRVHMKBAQBAVKX-ZMOGYAJESA-N 426.517 5.383 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2cccs2)cc1 1874417810 UFARFRZOVMTYDM-HYARGMPZSA-N 435.534 5.013 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2-c2cccs2)cc1 1874422432 LWVQBEIRMFKHIO-WSDLNYQXSA-N 426.954 5.540 30 10 IKEE CSc1nnc(-c2ccccc2)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874425288 ABYMFWVEUNQNNT-MFKUBSTISA-N 434.952 5.782 30 10 IKEE C=C(C)CSc1nnc(CC(C)(C)C)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874438363 BUWWEYBHEOGDBP-WGOQTCKBSA-N 434.609 5.996 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874475870 WKNJQCQXPQNIJT-YDZHTSKRSA-N 443.960 5.665 30 10 IKEE CCc1ccc(/C=N/n2c(CC(C)C)nnc2SCC(=O)Nc2cccc(C)c2C)cc1 1874488969 STBYQPRLKROOGU-CVKSISIWSA-N 449.624 5.269 30 10 IKEE CCOc1cccc(/C=N/n2c(CC(C)C)nnc2SCc2cccc3ccccc23)c1 1874490812 LNLMGDJAVNELNF-WPWMEQJKSA-N 444.604 6.203 30 10 IKEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3cccc(C)c3C)nnc2C2CCC2)cc1 1874494862 IRQVZASDDXRKPR-AFUMVMLFSA-N 433.581 5.084 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(C(C)C)n1/N=C/c1ccc(Cl)cc1 1874510500 QOCDPSRMQCOFTB-ZMOGYAJESA-N 441.988 5.230 30 10 IKEE Cc1ccc(COc2ccc(/C=N/n3c(S)nnc3CCc3cccs3)cc2)cc1 1874562013 WRIWXZGPFSRKPL-BUVRLJJBSA-N 434.590 5.183 30 10 IKEE Cc1cc(OCc2nnc(S)n2/N=C/c2c(Cl)cccc2Cl)ccc1Cl 1874568065 FSAQFINZQHUWQR-ODCIPOBUSA-N 427.744 5.297 30 10 IKEE CCCOc1c(OC)ccc(/C=C/C(=O)c2cc(C)c(OC)cc2C)c1Br 1874599839 GROSQJKBWDRSEB-VQHVLOKHSA-N 433.342 5.768 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(Cl)c2)c(C)c1 1874617780 SYIHHQFWXGNOSY-YRNVUSSQSA-N 447.962 6.487 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1F 1874621554 IXQIDOWJOSTHDX-RMKNXTFCSA-N 431.290 6.616 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OCc1ccc(Cl)cc1 1874629411 BCXPCTMRWFYERH-XYOKQWHBSA-N 434.963 7.057 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2)cc1 1874693929 DETJDEMROZSCOL-NTUHNPAUSA-N 445.471 5.590 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(/C=C/C(=O)c3ccccc3OC)ccc2OC)c1 1874698874 RLELGPBSOSILJP-WYMLVPIESA-N 432.472 5.218 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)c1 1874703411 OEYPIDZWNKPVFH-CMDGGOBGSA-N 446.415 5.235 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OC(=O)CCc1ccccc1 1874707947 FJZAGZHNBALTCL-CXUHLZMHSA-N 428.528 6.253 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccccc3C)c2)c(OC)c1 1874714119 FINRZZPRCREWOI-UKTHLTGXSA-N 432.472 5.136 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@H](C)c3ccccc3)c2)c2ccccc12 1874717745 BEOZBTDHBVVTFP-XBVMLYLOSA-N 436.507 6.454 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(F)cc2)CSc2nnc(C3CCC3)n21 1874878441 RGGIVVGSYKHQRT-HXUWFJFHSA-N 430.593 5.747 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1 1875114074 CFYOEXUQYKOJDM-SAPNQHFASA-N 443.381 7.001 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)cc1)c1ccc(F)cc1F 1875120251 KGRMLJNECJISGA-ZPJRZJNGSA-N 438.857 6.223 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)cc3)c(OC)c2)cc1 1875139261 ZWQZZUXHWITDEX-VIZOYTHASA-N 430.500 5.908 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(C)c3)cc2OC)cc1 1875142553 IPXCSPMMOTZCTG-NTEUORMPSA-N 446.518 6.139 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3C)c(Cl)c2)c(OC)c1 1875178237 AHFBWANWHHDEEU-XYOKQWHBSA-N 436.891 5.781 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)ccc1OC(=O)c1ccco1 1875186104 DNZNDOYTNLTXNU-RMKNXTFCSA-N 426.852 5.456 30 10 IKEE Cc1nc(-c2ccccc2F)sc1C(=O)NCC#CCOc1cccc(C(F)(F)F)c1 1891459775 QJLQZKYRWFGJHY-UHFFFAOYSA-N 448.441 5.089 30 10 IKEE Cc1sc(NC(=O)c2ccc(C3(C#N)CC3)cc2)nc1-c1ccc(-c2ccccc2)cc1 1892088389 RRGWBTUJGHNJJS-UHFFFAOYSA-N 435.552 6.593 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](CCC(C)(C)C)NC(=O)OC(C)(C)C 1922067875 FFKBVKHEMWTIJQ-DHIUTWEWSA-N 432.649 5.847 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)C2(C)C)cc1 1947972428 OEMKFVMZYMWULA-XMMPIXPASA-N 429.561 5.418 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 1949350451 IPKIRGHDMWKEOI-DHIUTWEWSA-N 430.633 5.553 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)[C@@H]2C[C@H]21 2008454597 STFYQZQZBKODPO-KHCICDEESA-N 433.593 5.238 30 10 IKEE CC(C)[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)CN1Cc1ccccc1 2029763902 NRYBVURUDWNVHV-BVAGGSTKSA-N 437.559 5.760 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCC[C@@H]2OCc2ccccc2)cc1 2043762662 NBEWLIMCLVIGIA-JYFHCDHNSA-N 436.552 5.858 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H](CNC(=O)OC(C)(C)C)C2(C)C)cc1 2053042055 AGFLOWTXXXGQFG-BVZFJXPGSA-N 443.588 5.570 30 10 IKEE O=C(O)C1CCN(c2nc3ccccc3cc2C=CC(=O)C23CC4CC(CC(C4)C2)C3)CC1 2053646680 JZUCNYCBQSHUNX-UHFFFAOYSA-N 444.575 5.335 30 10 IKEE Cc1ccc([C@H](C2CCC2)n2nc(C3CC3)c(/C=N/O)c2I)c(C)c1 2079030794 AFYIOBZIRRLHGZ-QKXOWGBTSA-N 449.336 5.180 30 10 IKEE CC(=O)Oc1ccc([C@H](n2nc(C(F)(F)F)c(C#N)c2Br)C(C)(C)C)cc1 2080102209 QFBSMYVMCRGARX-HNNXBMFYSA-N 444.251 5.097 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)c(Cl)c1 2103300014 MXWUXAFMYVOYTO-QZTJIDSGSA-N 443.813 5.450 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc2c1CN(c1cc(Br)cc(C#N)c1)CC2 2174815020 OUWASJCOXOBJIY-UHFFFAOYSA-N 428.330 5.230 30 10 IKEE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@@H](CNc2ccc(C#N)cc2Br)CC1 2178648567 UHMJQSGSRYYEJZ-LDTOLXSISA-N 440.357 5.156 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](Cc2cccc(F)c2Br)NCCC)C1 2197748750 MSSQVNADQLJPJA-KRWDZBQOSA-N 441.385 5.112 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCCC)c2ccc(Br)c(F)c2F)C1 2197753499 MYDMFXBAKVLUCN-QGZVFWFLSA-N 445.348 5.382 30 10 IKEE C=CCC1([C@@H](NCC)c2cc(F)c(Br)cc2F)CN(C(=O)OC(C)(C)C)C1 2198173973 MONDQWNDMXMOTC-KRWDZBQOSA-N 445.348 5.191 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Cl)c(Cl)cc1Cl 2201286828 ACKYXFONOGNKPI-MSOLQXFVSA-N 433.807 5.994 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 2220392739 NKYTZIISOHJNHF-MHPIHPPYSA-N 449.636 5.874 30 10 IKEE C#CCN(C[C@H](NCCC)c1sc(C)c(C)c1Br)C(=O)OC(C)(C)C 2221828597 CCCXLLBRSJCXEQ-HNNXBMFYSA-N 429.424 5.038 30 10 IKEE CCCN[C@@H](C#Cc1ccc(CCC)cc1)CN(Cc1ccccc1)C(=O)OC(C)(C)C 2223369757 REORCVCJIUTXLJ-SANMLTNESA-N 434.624 5.796 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1sc(Br)c(C)c1C 2254702518 VVTGVBLNDLDJJF-GJZGRUSLSA-N 429.424 5.085 30 10 IKEE C=C(c1ccccc1)[C@@H](NCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2256696423 LDNZOLXMDRZZBH-XMMPIXPASA-N 436.596 5.132 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(Nc3c(Br)cccc3C#N)CCCCC[C@@H]12 2285171769 QKWCKRAJQZDKHT-UTKZUKDTSA-N 434.378 5.445 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C 2296267101 PISPXZMEFAHLST-RBUKOAKNSA-N 437.422 5.108 30 10 IKEE C=CCOc1c(Cl)cc(C=C2N=C(c3ccc(Br)cc3)OC2=O)cc1OC 2297327946 CNTMCKKRZSCLTI-UHFFFAOYSA-N 448.700 5.020 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)cc1 2302571864 OOMRIHUFKQKUHJ-SLFFLAALSA-N 429.561 5.322 30 10 IKEE O=C1C(=Cc2ccccc2Cl)Oc2c1ccc1c2CN(CCCCc2ccccc2)CO1 2322249441 VWPBJFSAWBCAHQ-UHFFFAOYSA-N 445.946 6.131 30 10 IKEE COc1ccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3ccc(C)cc3)C4)C2=O)cc1 2322305590 FGZIBWUMGFCRFG-UHFFFAOYSA-N 427.500 5.280 30 10 IKEE CCCCCCN1COc2c(cc3c(c2C)OC(=Cc2ccc(Cl)cc2Cl)C3=O)C1 2322368881 TUBSKPIFQDYZGX-UHFFFAOYSA-N 446.374 6.650 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCc2cccc(F)c2)cc1 2322552863 JORRULDOQPNLHE-UHFFFAOYSA-N 440.898 6.362 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2cccc(F)c2)cc1Cl 2322979010 GGGPMGLPENLLEH-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE Cc1c(OC(=O)CCCOc2ccccc2)ccc2c1OC(=Cc1ccccc1F)C2=O 2323178295 JZQAKPLGXYTUTI-UHFFFAOYSA-N 432.447 5.515 30 10 IKEE COC(=O)c1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc(C)c(C)c4)c3C)C2=O)cc1 2323248229 QWBBCRCNECOZEN-UHFFFAOYSA-N 442.467 5.234 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Br)c(OC)c(Br)c2)c1 2323486302 OPZFZPXJEBLOBW-UHFFFAOYSA-N 426.104 5.125 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cccc(C)c3C)c(Cl)c2)c1 2323486762 COYFSTIQVKKFRW-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(C)c2)cc(OC)c1OCc1cccc(C)c1 2323580029 HQLNIOCQLHXXKP-UHFFFAOYSA-N 442.555 6.524 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)c3ccc(OCC(C)C)cc3)cc(C)c2C1=O 2323641590 CXGOFCHPGOJWGO-UHFFFAOYSA-N 442.511 6.174 30 10 IKEE Cc1ccc(C)c(COc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2[N+](=O)[O-])c1 2324066454 NMFWXUQJXXZNDF-UHFFFAOYSA-N 443.543 6.984 30 10 IKEE CCc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccc(F)cc4)cc(C)c3C2=O)cc1 2324319363 XZIJYVHXCUHUAC-QGZVFWFLSA-N 445.490 5.719 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)cc1 2324372252 LJQLQYBMXDKFSS-SFHVURJKSA-N 442.515 5.083 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2cccc(F)c2)C3=O)c1 2324455989 GVIMWCNOVNFGLH-SFHVURJKSA-N 445.490 5.773 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1 2324478122 VARQXFQLSJFEJS-INIZCTEOSA-N 431.463 5.410 30 10 IKEE COC(=O)c1ccc(C=C2Oc3cc(OCCCOc4ccc(C)cc4)ccc3C2=O)cc1 2324545165 NHLGJLUKHGULES-UHFFFAOYSA-N 444.483 5.246 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1Cl 2324545841 QFZRERFEWROIDN-UHFFFAOYSA-N 441.999 6.189 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OCc3cccc(C)c3)c([N+](=O)[O-])c2)cc1C 2324637582 PMUQNRRXFLSWHP-UHFFFAOYSA-N 431.488 6.004 30 10 IKEE CCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccc(OCc2ccccc2)cc1 2325578419 SSLQTVMKHGOXOZ-UHFFFAOYSA-N 442.588 5.902 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(Br)cc3)c2)c(C)c1 2325736475 NVUPOABLBUPKGF-UHFFFAOYSA-N 435.317 6.181 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCC(=O)Nc4cc(C)ccc4C)ccc3C2=O)cc1 2325740363 NTMAHSZGYKDOEC-UHFFFAOYSA-N 443.499 5.336 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)c3ccc(-c4ccccc4)cc3)c2)c(C)c1 2325764609 GWSLWSAIXQJSTA-UHFFFAOYSA-N 446.546 7.394 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c(Cl)c3)c2)cc1 2325768226 MTBQPFOJULJLJN-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE CCOc1cccc(C=Nn2c(CC)nnc2SCc2c(F)cccc2Cl)c1OC 2326570132 FOQDWEMUFLTOEX-UHFFFAOYSA-N 448.951 5.215 30 10 IKEE Oc1ccc2ccccc2c1C=Nn1cnnc1SCc1ccc(Br)cc1 2326606393 HRMKUPUHODQZDN-UHFFFAOYSA-N 439.338 5.074 30 10 IKEE CCOc1ccc(C=Nn2c(C)nnc2SCc2cccc3ccccc23)cc1Cl 2326635625 MZJQETCVLAZSOI-UHFFFAOYSA-N 436.968 5.966 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2C)n1N=Cc1ccccc1Cl 2327114311 TYBYSLRYSGZKJU-UHFFFAOYSA-N 426.973 5.412 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccco1 2327715925 DNPSLLDTNPWZIH-UHFFFAOYSA-N 438.556 6.098 30 10 IKEE CCCOc1ccc(C=Nn2c(Cc3cccc4ccccc34)nnc2SCCC)cc1 2327779313 XEWLZISYRUPFJL-UHFFFAOYSA-N 444.604 6.195 30 10 IKEE CCCCC1CCC(c2nnc(SCC(=O)OC)n2N=Cc2cccc(Cl)c2)CC1 2328179277 MQQVOBZZIUHAMA-UHFFFAOYSA-N 449.020 5.543 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cccnc1 2329506421 IGBVUFHGSPRVQG-UHFFFAOYSA-N 447.995 5.595 30 10 IKEE CCCOC(=O)CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(CC)cc1 2329622561 FJBHWKIVJYJLMB-UHFFFAOYSA-N 442.972 5.088 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(C(F)(F)F)cc2)cc1)c1ccc2ccccc2c1 2330653674 RXLYLVLJRXUZJF-UHFFFAOYSA-N 446.424 6.974 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2cccc(C)c2)cc1 2330821264 BZGJSUQAZRPJLF-UHFFFAOYSA-N 449.668 6.196 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C2CCCC2)c(Br)c1)c1ccccc1Cl 2330929518 APIXNFSIJGFRBL-UHFFFAOYSA-N 433.729 6.094 30 10 IKEE CCCCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccc(OC)cc2)cc1OC 2330976696 AGDPPQYQYRRUBI-UHFFFAOYSA-N 447.325 5.458 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(-n3cccc3)cc2)cc1)c1ccc(Cl)cc1 2331138471 UMVWQQBRRUANPE-UHFFFAOYSA-N 427.887 6.246 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2)cc1 2331141316 PWAQAGNRZKWXIW-UHFFFAOYSA-N 436.891 5.619 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)c1ccccc1C 2331225759 ZYCHDJPCJYMJRN-UHFFFAOYSA-N 448.946 6.779 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)c1ccncc1 2331232392 GSOUWYRASWKWPY-UHFFFAOYSA-N 427.500 5.551 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2OC)cc1OC 2331329790 IESJHIMMVCNMPN-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE CCc1ccc(C=Nn2c(SCC(=O)Nc3c(C)cccc3C)nnc2C(C)(C)C)cc1 2331392197 AZQXJMODZVNAIH-UHFFFAOYSA-N 449.624 5.368 30 10 IKEE COc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C(C)(C)C)cc1 2331416451 HHZNJCSWFJNEFU-UHFFFAOYSA-N 432.952 5.551 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1 2331434139 AYHYHCRHKRNORX-UHFFFAOYSA-N 434.875 5.503 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1Cl)c1ccccc1Cl 2331472473 WZJSQXUWOBETBZ-UHFFFAOYSA-N 447.317 7.262 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)ccc1OC(=O)C(C)(C)C 2331640485 NNRYDXVMHYUTCL-UHFFFAOYSA-N 437.319 5.858 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(C3CC3)n2N=Cc2c(F)cccc2Cl)cc1 2331735313 ICUJGNOVRKOHMD-UHFFFAOYSA-N 431.880 5.031 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)C(F)(F)F 2331801007 FXKHNIGAERQJBL-UHFFFAOYSA-N 434.454 6.055 30 10 IKEE N#Cc1nc(Cc2cccc3ccccc23)oc1NN=Cc1ccc(Br)cc1 2331932806 XQKLCQPEDZIBTQ-UHFFFAOYSA-N 431.293 5.499 30 10 IKEE CC[C@@](C)(CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)N(C)Cc1ccccc1 2339540889 CWNKNRKQKUDRNC-ZOGILVBSSA-N 435.421 5.439 30 10 IKEE CCCCCCCCN(C)Cc1ccc(I)c(Br)c1 2349808071 AMEGDSXVRHGHRL-UHFFFAOYSA-N 438.191 5.846 30 10 IKEE C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2365102161 ZAUWBPKPAFLOIY-SFTDATJTSA-N 447.432 5.295 30 10 IKEE O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)Oc2cc(OCc3c(F)cccc3Cl)ccc21 2436096 RLPYNORBJGAMLM-UFFVCSGVSA-N 425.799 5.583 30 10 IKEE Cc1ccc(C2=NN(c3ccc(/C=N/c4ccccc4O)cc3)[C@@H](c3ccccc3)C2)cc1 15772846 ORJYMCAPQVIWKI-AWUWXFTQSA-N 431.539 6.807 30 10 IKEE C=CCSC1=N/C(=C/c2cccc(OC)c2OC)C(=O)N1c1ccc(F)c(Cl)c1 20152039 JDJOKWBWHMQNRM-GZTJUZNOSA-N 432.904 5.159 30 10 IKEE O=C1C[C@@H](c2ccccc2Cl)CC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1N2 20886158 MQBBRXKIZNUAOY-IVCQMTBJSA-N 445.906 6.228 30 10 IKEE CC(C)(C)c1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(Cl)c(Cl)c2)C3)cc1 21255925 OLDGRYZNGBOROJ-WMZOPIPTSA-N 442.386 6.295 30 10 IKEE CC1(C)[C@H](C(=O)Nc2ccccc2/N=C/C=C/c2ccc([N+](=O)[O-])cc2)CC[C@@]1(C)C(=O)O 28296325 SQGJAJWFORJZOI-XIAXCTKTSA-N 449.507 5.476 30 10 IKEE CCCCCCCSc1nnc2c(n1)OC(C(=O)c1ccccc1)=Nc1ccccc1-2 33353597 VHXPYJUXPLTQKH-UHFFFAOYSA-N 432.549 5.906 30 10 IKEE C[C@@H]1CCc2c(C#N)c(NC(=O)COc3ccc(Br)cc3)sc(=S)c2C1 41013996 YFEYVMUEKNCDDU-LLVKDONJSA-N 449.395 5.254 30 10 IKEE COc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN(CCc2ccc(F)cc2)C3)C1=O 41586934 XSFUPBZFDNMXKW-OYKKKHCWSA-N 445.490 5.154 30 10 IKEE N/C(=N\c1sc(-c2ccc(Cl)cc2)nc1-c1cccs1)c1ccc(Cl)cc1 53994145 IUEWBKOMQRANQV-UHFFFAOYSA-N 430.385 6.882 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nc3ccc(/N=C/c4ccc(Cl)cc4)cc3s2)cc1 59505769 XQXNIAFOKCMQMF-FSJBWODESA-N 439.949 6.901 30 10 IKEE O=C(O)c1ccc(N/C(=N/CCc2ccccc2)NCCC23CC4CC(CC(C4)C2)C3)cc1 65304878 BCGRRYGRGBPJGG-UHFFFAOYSA-N 445.607 5.592 30 10 IKEE CN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S/C1=N/c1cccnc1 101124629 BHZCNHQTSSFPHY-DISDYRDVSA-N 435.936 5.548 30 10 IKEE CCCCCCCCCCCn1c(CCNC(=O)c2ccc(OC)cc2)nc2ccccc21 102139207 BDFNICKDCFRQDT-UHFFFAOYSA-N 449.639 6.548 30 10 IKEE CCCCCCCC(=O)Nc1cc(-c2ccc(Cl)cc2)nn1-c1ccc(OC)cc1 102993475 HCSCTSGOISSZSW-UHFFFAOYSA-N 425.960 6.500 30 10 IKEE O=C(/C=C/Nc1ccccc1NS(=O)(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 104494905 OXDWGZIBHOXAEB-OUKQBFOZSA-N 447.343 5.603 30 10 IKEE COc1ccc(/C=N\c2ccc(/C=C/c3ccc(/N=C/c4ccc(OC)cc4)cc3)cc2)cc1 106056903 OVYNLEMXCIOVNA-GIXVHZCRSA-N 446.550 7.375 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2cccc(OC)c2)cc1 169931404 YSOGNNVXIPUVEN-DEOSSOPVSA-N 443.499 5.049 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccc(N(C)C)cc2)ccc1F 169954164 WQXAGDNMPDABCA-XMMPIXPASA-N 444.506 5.291 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2cccc(C)c2)cc1 169968865 VEJLXQDHDVBIOD-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2Cc2ccco2)c1 170038743 GDPLDIDMOLFXPH-HSZRJFAPSA-N 431.488 5.074 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(Cl)cc1)c1c[nH]c2ccccc12 170059629 RDYJKBGYDYXWIA-QFIPXVFZSA-N 434.923 5.732 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1c[nH]c2ccccc12)c1ccc2c(c1)CCO2 170078464 GTWWGRWQYYTGQQ-DEOSSOPVSA-N 442.515 5.014 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1cccc(C)c1 170146882 QUMGUJYRMCDZAK-DEOSSOPVSA-N 435.564 5.717 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccs2)cc1C 170163287 HNAUTRCABDPEGQ-QFIPXVFZSA-N 448.544 5.019 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccccc2)cc1 170224406 PDKKPJVTQMEMDP-AREMUKBSSA-N 433.507 6.185 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(Cl)cc2)c1 170235115 VBLAYCSTSFODIX-QFIPXVFZSA-N 449.890 5.140 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc(F)cc1 170238184 LGSRGEXILHCEJG-JOCHJYFZSA-N 449.453 5.373 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccccc2C)c1 170271451 YOEXLZYAYRMPQM-SANMLTNESA-N 437.539 5.965 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(C)o2)cc1C 170301500 NEPJKXYMDCAVSK-QHCPKHFHSA-N 447.487 5.087 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2cccc(C)c2C)ccc1OC 170440450 ZNINIKDASLGDIZ-XMMPIXPASA-N 437.536 5.226 30 10 IKEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 170471403 BTLSTGYUESYWAI-HSZRJFAPSA-N 449.591 5.894 30 10 IKEE O=C(C1=C(O)C(=O)N(c2nc3cc(F)c(F)cc3s2)[C@H]1c1cccs1)c1ccco1 170477043 FZEPAKFIHWSUJU-INIZCTEOSA-N 444.440 5.012 30 10 IKEE CCCCCCCC[C@H](NC)c1cc(I)ccc1Br 232956620 FMDWWOOTAUIQBZ-INIZCTEOSA-N 438.191 6.065 30 10 IKEE CCCCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2C)SC1=Nc1ccccc1 252635663 WZCYQMKGKHOEPA-CUCKYGFWSA-N 425.579 5.469 30 10 IKEE Cc1c(C=Nc2cccc(NC(=O)c3ccccc3)c2)c(O)n2c(nc3ccccc32)c1C#N 254288721 AJHHMLFJNSMPOL-UHFFFAOYSA-N 445.482 5.376 30 10 IKEE CC1=C(C)C(=Nc2cccc(C(F)(F)F)c2)C=C(Nc2cccc(C(F)(F)F)c2)C1=O 254797331 LFZJSFASMKAPFA-UHFFFAOYSA-N 438.371 6.712 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(F)c2)cc1OC 526775369 LZRPBAUGGJKJRZ-HSZRJFAPSA-N 447.462 5.016 30 10 IKEE Cc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1ccccc1C(F)(F)F 526804961 BDYDBMLEJWOAQM-ZMFRSBBQSA-N 432.515 6.077 30 10 IKEE CCCOc1ccccc1/C=N\n1c(CCC)nnc1SCc1cccc(Cl)c1 526811229 FNAZBSSOVSSILK-IWIPYMOSSA-N 428.989 5.847 30 10 IKEE CC(C)(C)c1ccc(S(=O)(=O)N(CC#N)c2ccc(OCc3ccccc3)cc2)cc1 586250970 CEXKICQRCVNWSB-UHFFFAOYSA-N 434.561 5.282 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@H](C#N)c1ccc(Br)c(Cl)c1 698833698 UXRAZCMUFDASCN-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE CCCCCCC[C@@H](NC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 708528505 ZQNWEMNZDDWBEO-WOJBJXKFSA-N 441.454 5.833 30 10 IKEE C=CCCC[C@@H](NCCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 708560972 VYGSANFDGKATPZ-WOJBJXKFSA-N 439.438 5.609 30 10 IKEE CC(=NNc1nc(S[C@H](C)c2nnc(C(C)C)o2)n[nH]1)C12CC3CC(CC(C3)C1)C2 1084465858 AFCGBIAOQTUFAF-MSZXUFMWSA-N 429.594 5.169 30 10 IKEE CCOc1cc(C=Nc2ccc(S(=O)(=O)Nc3c(C)cc(C)cc3C)cc2)ccc1O 1084594472 ZHVOXHJNBVNLCN-UHFFFAOYSA-N 438.549 5.268 30 10 IKEE CCN(CC)S(=O)(=O)c1cc(N=Cc2ccc(Cl)cc2)ccc1N1CCCCC1 1084620085 NDVOUCXZFIEMTK-UHFFFAOYSA-N 434.005 5.111 30 10 IKEE Cc1cccc(N=C2NC(=O)/C(=C\c3cccn3-c3ccc(Br)cc3)S2)c1 1084650533 CKJHGTKZVJHXPV-CPNJWEJPSA-N 438.350 5.440 30 10 IKEE CC(C)(CN)C/N=C(/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC1CCCCC1 1088684264 JYGLPXGGUFPQFT-UHFFFAOYSA-N 438.460 5.399 30 10 IKEE C[C@@H](/C(=N/N(c1ccccc1)c1ccccc1)c1ccccc1)c1nc2ccccc2[nH]c1=O 1088708338 CDWIJKWXQNKXEF-BHMIVWIPSA-N 444.538 6.269 30 10 IKEE C/C(=C1\SC(=Nc2cccc(C(=O)O)c2)N(C2CCCCC2)C1=O)c1ccc(C)c(C)c1 1772738786 XSWFBCUUSNIRIG-JQJRQWMGSA-N 448.588 6.328 30 10 IKEE O=C1/C(=C/C=C\c2ccccc2)SC(=NN=Cc2ccc(O)cc2)N1Cc1ccco1 1772757607 HXFADCGQJDCLMI-KMPKGDQFSA-N 429.501 5.048 30 10 IKEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1861022141 ANPITCWZNVDDPL-UHFFFAOYSA-N 425.957 5.014 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)Cc1cc(Cl)ccc1SCC)c1ccccc1 1861908446 NHYQKDWUMLPSAE-QHCPKHFHSA-N 443.012 5.053 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCC(C)C)cc1 1862436579 WUTCOYJNPXSDRZ-OAQYLSRUSA-N 427.928 5.363 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2cccc(O)c2)cc1 1862443569 PYYYCEFYBYCPDV-QFIPXVFZSA-N 433.891 5.133 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(C(C)C)cc1 1862464040 NFUFFHCVJBTJIE-ASSNKEHSSA-N 431.454 5.604 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCC(C)C)cc1 1862464508 ADZBEVJJJISFKV-FQEVSTJZSA-N 442.353 5.382 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(CC)cc1 1862474075 JWQCCQUICFXUQN-VWLOTQADSA-N 433.592 6.496 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCc3ccccc3)[C@H]2c2ccccc2C)cc1 1862475405 KWMSRURIXRQXCI-SANMLTNESA-N 439.555 5.905 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862506770 UTFIVIHYKSBVFB-XMMPIXPASA-N 445.490 5.311 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccc(O)cc2)ccc1F 1862507177 FWQLOAIRNBKGTL-QHCPKHFHSA-N 437.511 5.531 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(F)cc1F)c1ccc2c(c1)CCCC2 1862545840 JZYJBZSTBHRAEO-HSZRJFAPSA-N 437.486 5.365 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2ccccc2Cl)cc1 1862561248 RJRMTQGNTQAYEW-JOCHJYFZSA-N 432.907 5.009 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(O)cc1 1862613930 SXGSFEVTVJHZBI-OUPRXKBMSA-N 447.575 5.847 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccccc2)cc1 1862616178 SEZUNWSMBUEAQC-VWLOTQADSA-N 439.555 5.805 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2cccc3ccccc23)cc1 1862619964 HJEBLYAHFSJYJC-DEOSSOPVSA-N 443.543 5.098 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1c(Cl)cccc1Cl 1862657809 JQZWWDUAOGHFRZ-OAQYLSRUSA-N 438.310 5.911 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccc(Cl)c2)[C@H]1c1ccc(F)cc1)c1ccc(F)cc1 1862672384 BWHGWEYWTDXRPH-NRFANRHFSA-N 439.845 5.397 30 10 IKEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2)cc1 1862673619 FTKARQFLUHEDCP-HJPURHCSSA-N 431.463 5.174 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862678148 JRTFRPGGJDKKGO-DEOSSOPVSA-N 440.474 5.394 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1cccc(F)c1)c1ccc2ccccc2c1 1862714935 HXVRDPPYZLDTJP-QHCPKHFHSA-N 443.499 5.819 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3cccc4cccnc34)C(=O)N(c3ccccc3C#N)C2=O)c1 1863037121 XJRDCGVAXYJPAQ-UHFFFAOYSA-N 444.494 5.120 30 10 IKEE Cc1cc(C)cc(NC2=C(c3c[nH]c4ccccc34)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1863129319 IAIHVNYNXCGQQP-UHFFFAOYSA-N 432.483 5.053 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(OC)cc2)=C(c2ccc(OC)cc2)C1=O 1863324199 GTUPZJZKFBQQIT-UHFFFAOYSA-N 436.552 5.256 30 10 IKEE C=CCN(CC=C)c1cc(N2CCCc3ccccc32)nc(-c2ccc(OCC)cc2)n1 1867999141 WXUIUGJYNLAERZ-UHFFFAOYSA-N 426.564 5.805 30 10 IKEE COc1ccc([C@@H]2CN(c3cc(Nc4ccc(C#N)cc4)nc(C(C)C)n3)CCS2)cc1 1868242261 LQSILUSPWJEHTI-QFIPXVFZSA-N 445.592 5.518 30 10 IKEE CC(C)(C)c1nc(Nc2ccccc2C#N)cc(N2CCC[C@H]2c2nc3c([nH]2)CCCC3)n1 1868349511 VGXJKMLPKUQLPO-NRFANRHFSA-N 441.583 5.333 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](NC(=O)C[C@H](c1ccc(OC)c(C)c1)C(C)C)c1ccccc1 1868718688 CNRKHCCSSAKCMD-RPLLCQBOSA-N 448.607 5.191 30 10 IKEE CCCCCCCCn1cc(OCC(=O)NC2CCCCC2)c(=O)cc1CSCC 1870280451 JHGIKADTHUFFPD-UHFFFAOYSA-N 436.662 5.290 30 10 IKEE CCCCCCCCn1cc(OCCCc2ccccc2)c(=O)cc1CN1CCOCC1 1870688495 PHIABXNNKBGIRR-UHFFFAOYSA-N 440.628 5.053 30 10 IKEE C=CCOc1cn(Cc2ccncc2)c(CNc2cc(C(C)C)cc(C(C)C)c2)cc1=O 1870809822 XIWOOUFXJITHMN-UHFFFAOYSA-N 431.580 5.715 30 10 IKEE C[C@H](N1COc2ccc3c(c2C1)O/C(=C\c1ccccc1)C3=O)C12CC3CC(CC(C3)C1)C2 1871349965 DIXPVDWMEWZZMX-ORBAKBKKSA-N 441.571 6.060 30 10 IKEE CCN(CC)CCCCN1COc2c(cc3c(c2C)O/C(=C\C=C\c2ccccc2)C3=O)C1 1871354925 IOTRDDHIKZCBMT-OXWYTDJFSA-N 446.591 5.441 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OC(=O)CCc4ccc(Cl)cc4)ccc3C2=O)c1 1871368698 ORXJUKYSXYQCAC-UCQKPKSFSA-N 434.875 5.503 30 10 IKEE O=C1/C(=C/c2cccnc2)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc21 1871369818 GNDFYDANPMKLBK-XYGWBWBKSA-N 433.463 5.435 30 10 IKEE Cc1c(OC(=O)CCCOc2ccccc2)ccc2c1O/C(=C\c1cccc(F)c1)C2=O 1871371022 HCXVYBWHZSELNU-KQWNVCNZSA-N 432.447 5.515 30 10 IKEE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2F)C3=O)cc1 1871376855 HPPKDPYBZORNES-DYAARSSKSA-N 430.431 5.378 30 10 IKEE Cc1c(OC(=O)c2cccc(OC(C)C)c2)ccc2c1O/C(=C\c1cccc(F)c1)C2=O 1871388316 OUBGTWJHTZLMMB-QRVIBDJDSA-N 432.447 5.757 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccccc4OC)coc3c2)cc1 1871389799 PBQAEKLVLQMVKD-UHFFFAOYSA-N 444.439 5.378 30 10 IKEE Cc1cc(OCCOc2ccccc2)cc2c1C(=O)/C(=C/c1ccc(Cl)cc1Cl)O2 1871397326 MWNGDYGNTLIMAS-UUYOSTAYSA-N 441.310 6.376 30 10 IKEE Cc1ccc(OCCCCOc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1 1871403720 WEFFEMMSSZYXJS-VEILYXNESA-N 442.555 6.973 30 10 IKEE CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2cccs2)C3=O)cc1 1871408782 ZXDVEXIJHDACMC-YZLQOSHFSA-N 435.501 5.169 30 10 IKEE COc1cccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccc(C)cc4C)ccc3C2=O)c1 1871412028 UINNNNNFIHJUFR-DBXOKZBGSA-N 443.499 5.334 30 10 IKEE CCCCCCCCCOc1cc(C)c2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O 1871429845 PWWLECJMZUXSEJ-KQWNVCNZSA-N 447.402 8.047 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4cc(C)cc(C)c4)c3C)C2=O)c1 1871453975 BKGSHGGLVAFIJZ-OYKKKHCWSA-N 427.500 5.554 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(Cl)cc2)[nH]c(N(CC)CCO)n1 1871523649 YOCQLJRMVKYVEH-UHFFFAOYSA-N 449.043 5.062 30 10 IKEE CCCCCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccccc3OC)cs2)cc1 1872762966 BDASCDAXWSZQDI-NRFANRHFSA-N 434.561 6.268 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3c(C)cccc3C)n2)cc1C 1872765800 XMLMBPVASJDFAW-FQEVSTJZSA-N 434.561 5.779 30 10 IKEE COc1ccc(C)cc1-c1csc([C@@H](C#N)C(=O)[C@@H](C)Oc2ccc(Cl)cc2)n1 1872770778 FBNCGFMVBCBZHP-KDOFPFPSSA-N 426.925 5.424 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccc(Cl)cc3)n2)c1C 1872781301 RWFPHWLQQBQVDY-FXAWDEMLSA-N 438.980 6.341 30 10 IKEE CCCCCCCCCCNC1=C(c2cccnc2)C(=O)N(Cc2ccccc2F)C1=O 1873077270 ROTYWMKNYBFVJR-UHFFFAOYSA-N 437.559 5.231 30 10 IKEE CCCCCCCCNC1=C(c2cc(F)cc(F)c2)C(=O)N(C2CCCCCC2)C1=O 1873113696 YYLSSUFAFRKMHT-UHFFFAOYSA-N 432.555 5.718 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(F)cc2)C(=O)N(CCCCCC)C1=O 1873137994 WTOCXYHNBAAHLB-UHFFFAOYSA-N 430.608 6.216 30 10 IKEE Cc1ccc(CN2CC(=O)C(c3nc(-c4ccccc4)c(-c4ccccc4)s3)=C2N)cc1 1873528045 DJLHZPBIOAJULH-UHFFFAOYSA-N 437.568 5.498 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)c(Cl)c2)cc2c(NCCc3ccccc3)ncnc21 1873607427 QZBHHLUKLAOLQM-UHFFFAOYSA-N 445.954 5.486 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(OCc3ccc(Cl)cc3)cc1)n2C 1873611842 VKDDOZLUDBDUBV-UHFFFAOYSA-N 447.926 5.051 30 10 IKEE CCCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1/N=C/c1ccc[nH]1 1874195912 LMYTUQJPHANSMA-KOEQRZSOSA-N 425.602 5.300 30 10 IKEE CCSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1cccc(Cl)c1 1874207833 WJKOAWIJEWPYRD-CIAFOILYSA-N 435.778 5.279 30 10 IKEE C=C(C)CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccccn1 1874217461 LZSIBEBOSKQTQL-BHGWPJFGSA-N 427.961 5.073 30 10 IKEE CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874242063 MQVGPZDZLQJYAI-FSJBWODESA-N 445.976 5.203 30 10 IKEE Cc1ccccc1CSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccccn1 1874266282 PCHVEIKBJWOGAL-VULFUBBASA-N 449.967 5.388 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCCc2ccccc2)n1/N=C/c1ccco1 1874300753 QXBMQCZDFMWNOQ-PCLIKHOPSA-N 432.549 5.284 30 10 IKEE C=CCSc1nnc(Cc2ccc(OCC)cc2)n1/N=C/c1ccc(OCCC)cc1 1874304209 MXUALDNJGONZRK-XIEYBQDHSA-N 436.581 5.217 30 10 IKEE C=CCSc1nnc(CCc2ccccc2OC)n1/N=C/c1ccc(Cl)cc1Cl 1874313735 LDVHQISGKSQLKG-ZVHZXABRSA-N 447.391 5.539 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3C)n2/N=C/c2ccccc2C)cc1 1874359931 GIBNIXORJLOUII-MTDXEUNCSA-N 440.616 6.163 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(Cc3cccs3)nnc2SCc2ccccc2C)c1 1874410855 OOFRFBRQNDZHNU-ZVHZXABRSA-N 434.590 5.427 30 10 IKEE Fc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2ccc(F)cc2F)cc1 1874416362 MELKLXGPNQCAIB-MZJWZYIUSA-N 438.478 5.461 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2[C@@H]2CCCO2)c1 1874451145 SHNIYZJMJIYWBB-OGBFJMLUSA-N 447.391 5.919 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C(F)(F)F)cc1 1874462681 ACXXUKBGJLVDNV-OPEKNORGSA-N 438.906 6.248 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874478340 VWDRKXBSCWONKW-ZMOGYAJESA-N 433.408 6.410 30 10 IKEE CC(C)(C)c1nnc(SCc2ccccc2F)n1/N=C/c1ccc(Cl)c(Cl)c1 1874484241 LZBDVSZRFIFKPQ-BHGWPJFGSA-N 437.371 6.196 30 10 IKEE CC(C)Cc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccccc1OC(C)C 1874489325 LTYRCEHAVDXLGW-AFUMVMLFSA-N 426.561 5.577 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SCc3ccccc3C)nnc2C2CCC2)cc1 1874495142 WWKFZPDXQCLGIO-OVVQPSECSA-N 448.636 6.598 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCC3)n2/N=C/c2cccc3ccccc23)c1 1874495783 FJXUZQQTWDVCMD-JVWAILMASA-N 426.589 6.490 30 10 IKEE COc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C(C)C)cc1O 1874515373 YZKISHRUFHEBGY-AUEPDCJTSA-N 434.924 5.083 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCc2ccccc2C)cc1C 1874574168 YNGJUBHRRWSBTD-PKNBQFBNSA-N 436.935 6.449 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccccc2Cl)c1OCC(=O)Nc1ccc(F)cc1 1874574966 NQLYEKHVIYKMAB-NTEUORMPSA-N 439.870 5.401 30 10 IKEE O=C(/C=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 1874575251 DDPZMRKTMMXWTR-XYOKQWHBSA-N 428.271 6.377 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)c1OCc1ccc(Cl)cc1 1874590709 RPHUMFLQPKLFBL-FOWTUZBSSA-N 448.990 7.430 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)c(OC)c2)cc1 1874609633 BJJVSGBPFACATK-VZUCSPMQSA-N 445.515 5.234 30 10 IKEE C=CCOc1c(CC=C)cc(/C=C/C(=O)c2cc(OC)c(Cl)cc2OC)cc1OC 1874631119 LIPZBUCQSHVNFR-MDZDMXLPSA-N 428.912 5.555 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2[N+](=O)[O-])cc1 1874633205 QQGPEMJMRFEYTN-KPKJPENVSA-N 444.487 5.434 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(Cl)c(Cl)c2)c1)c1cccc(Cl)c1 1874699102 DKWAWLXGBKUKOC-JXMROGBWSA-N 431.702 6.762 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OC(=O)c1cccc([N+](=O)[O-])c1 1874700613 CINFKWGYMZXNPO-VZUCSPMQSA-N 437.835 5.372 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OC(=O)CCCOc1ccccc1 1874701285 KPSHVGZKVBMBAZ-NTCAYCPXSA-N 444.527 5.973 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2cccc(OC(=O)CCc3ccc(Cl)cc3)c2)cc1 1874709356 BYEDBLLMVGLZBP-LZYBPNLTSA-N 432.947 6.898 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cccc(OC(=O)CSc2ccccc2)c1 1874713398 UOUFFLWRCZQVJO-OUKQBFOZSA-N 432.541 5.906 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3cc(Cl)ccc3Cl)c2)cc1C 1874713986 YTBXHYSAKALPTR-YRNVUSSQSA-N 439.338 6.654 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3Cl)c(Cl)c2)cc1 1875100277 XCQPJKJWBKCWAW-UKTHLTGXSA-N 425.311 6.671 30 10 IKEE O=C(CSc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1Cl 1875113608 PJICAKXOFLWXQZ-ZRDIBKRKSA-N 443.351 6.587 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)cc(Cl)c1OC(=O)c1ccncc1 1875119126 FTNAUGROHVQKBA-CMDGGOBGSA-N 437.879 5.258 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(C)=O)c(Br)c1 1875168281 VFJYRVHMPAKJCR-HWKANZROSA-N 444.108 5.586 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(OC)c(Cl)cc2OC)ccc1OC(=O)CC(C)C 1875173919 RUDQAJKTFOXTMM-VQHVLOKHSA-N 446.927 5.604 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)CSc3ccccc3)c(Cl)c2)cc1C 1875175186 CPAGHVAJTLPFDQ-FMIVXFBMSA-N 436.960 6.551 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(C)c(C)c3)cc2)c(OC)c1 1875179013 OTRLHSKSSMNTSJ-RIYZIHGNSA-N 446.499 5.201 30 10 IKEE C=CCN(CC=C)C(=O)c1cc2c(NCc3ccccc3Cl)ncnc2n1CCCC 1875212998 KAKZDKNVEHQDFF-UHFFFAOYSA-N 437.975 5.311 30 10 IKEE C#CCCCC[C@@H](NC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875651795 PQNSADVRZSCAGY-UHSQPCAPSA-N 443.587 5.660 30 10 IKEE CC1(C)OB([C@@]23C[C@H]2CCN(C(=O)OCC2c4ccccc4-c4ccccc42)C3)OC1(C)C 1880081539 QYIKOPJIOZRGTF-DNOBIOAJSA-N 445.368 5.494 30 10 IKEE COc1c(F)c(F)c(C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)c(F)c1F 1891254069 OSHPGJAKWNDQRX-UHFFFAOYSA-N 446.116 5.285 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](O)c1ccc(OCc2ccccc2)cc1 1922097256 NHSDPZWUFJTJNW-NSOVKSMOSA-N 431.576 5.440 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)C1(CNC(=O)OC(C)(C)C)CCC(C)CC1 1922123574 AWTNMFFHKNRQCV-FUBUYXNDSA-N 430.633 5.459 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCC[C@H]2CNC(=O)OC(C)(C)C)c1 1944590217 UFRYNCRNWDPHAW-MHECFPHRSA-N 429.561 5.324 30 10 IKEE CN(CCC[C@@](C)(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1953163513 NNYXUNXLDJSOLD-DEOSSOPVSA-N 431.577 5.353 30 10 IKEE CC[C@H]1CC[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)CN1C(=O)OC(C)(C)C 1953238978 FTBYZVCFNCRUTL-CPJSRVTESA-N 443.588 5.496 30 10 IKEE CC[C@@](C)(CN(Cc1ccccc1)C(=O)OC(C)(C)C)Oc1cc(C#N)cc(Cl)n1 1986477872 GKXDSUAZWJAMNB-QHCPKHFHSA-N 429.948 5.591 30 10 IKEE CC[C@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1987801857 XDDITQPDNCITMD-VGOFRKELSA-N 435.590 5.167 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@]1(CCF)CCN(C(=O)OC(C)(C)C)C1 2023662916 YXFVWDHYBITHSG-RCZVLFRGSA-N 434.596 5.114 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)C[C@@H](C)C2)cc1 2041561332 ZPLJDQGXCZXYMQ-DFBJGRDBSA-N 443.588 5.666 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C1CC2(CCCN(C(=O)OC(C)(C)C)C2)C1 2041638104 DHQCAWFHUIHLGK-IDZWTHILSA-N 442.644 5.555 30 10 IKEE Cc1ccc([C@@H](n2nc(C3(C)CC3)c(C#N)c2I)C(C)(C)C)c(O)c1 2079013566 MWLUTRZOIQIRDZ-QGZVFWFLSA-N 449.336 5.060 30 10 IKEE Cc1ccc(Cn2nc(-c3ccccc3)c(C#N)c2Br)cc1Br 2080357085 SBUUHVDINXZRGQ-UHFFFAOYSA-N 431.131 5.304 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CC[C@@H](P(C)(C)=O)C1 2104501437 UMNNQRNCMBYQAQ-APWZRJJASA-N 441.306 5.628 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H](Nc2cc(Br)c(C#N)cc2F)CCC1(C)C 2105996300 OMMXUSUQFSJOEG-ZDUSSCGKSA-N 426.330 5.050 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(F)c(Br)c(F)c1 2142154391 AIAXPMNZMTWGOO-NVXWUHKLSA-N 433.337 5.237 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2cc(Br)ccc2C)c1 2154787169 HBQJRBWJJWSVPM-LJQANCHMSA-N 431.330 5.773 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)ccc(Br)c1F 2159126622 WXSGSVOUHQMTEK-MAUKXSAKSA-N 445.348 5.075 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](Nc2cc(Br)cc(F)c2C#N)[C@@H]2CCCC[C@H]21 2179395834 ORPLHMWEOLTPLW-DOPJRALCSA-N 438.341 5.050 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2cc(Br)ccc2c1 2180890714 JIOUEUDAPYYAKJ-GOSISDBHSA-N 433.346 5.400 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](Cc2cccc(C)c2Br)NCC)C1 2183011386 NKQCZMCPSDEISD-SFHVURJKSA-N 437.422 5.139 30 10 IKEE Cc1c(NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)ccc(Br)c1Cl 2202940782 NMOHEIZDTPMUMR-UHFFFAOYSA-N 436.586 5.322 30 10 IKEE CCCCCCC[C@@H](O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229108605 YTCLUYXUOZIHMK-RTBURBONSA-N 428.411 5.606 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Cl)CN(Cc1ccccc1)C(=O)OC(C)(C)C 2245950239 GOBZHXODDDBCNR-QFIPXVFZSA-N 426.988 5.497 30 10 IKEE Cc1cc(Oc2cccc(B3OC(C)(C)C(C)(C)O3)n2)cc(C)c1NC(=O)OC(C)(C)C 2266707363 HESBEUIXJGSSFL-UHFFFAOYSA-N 440.349 5.137 30 10 IKEE Cc1cc(O)cc(C)c1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2282825646 NUYPUBFQHGHVSE-SFHVURJKSA-N 431.330 5.778 30 10 IKEE Cc1ccc(N=C2NC(=O)C(=Cc3ccccc3OCc3ccc(C(=O)O)cc3)S2)cc1 2293201984 DOBMHMOFJDFBJO-UHFFFAOYSA-N 444.512 5.164 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)C(C)(C)CCNC(=O)OC(C)(C)C 2296279796 SMEAUSJCJABZML-LJQANCHMSA-N 437.422 5.110 30 10 IKEE Cc1ccc(NC(=S)NN=Cc2cn(-c3cccc(F)c3)nc2-c2ccccc2)cc1 2296405252 TVCGFWOMNXBUKI-UHFFFAOYSA-N 429.524 5.307 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(Cl)cc2)cc1)c1ccc(-c2ccccc2)cc1 2314429226 BJIMPLQEEVGIRP-UHFFFAOYSA-N 438.910 7.122 30 10 IKEE O=C1C(=Cc2cccc(Cl)c2Cl)Oc2cc(OCc3ccccc3Cl)ccc21 2314437731 VFFZELODYDDBPT-UHFFFAOYSA-N 431.702 6.842 30 10 IKEE Cc1ccc(COc2cc(C)c3c(c2)OC(=Cc2ccc(Cl)c(Cl)c2)C3=O)cc1 2321745662 COTXOKVFQIZWLF-UHFFFAOYSA-N 425.311 6.805 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2cccc3[nH]ccc23)c(C)c1 2321838202 BZOUHJQTDVEQGG-UHFFFAOYSA-N 446.580 5.113 30 10 IKEE Sc1nnc(-c2ccco2)n1N=Cc1ccccc1OCc1ccc(Cl)cc1Cl 2321911957 CQHCSAVDJTXIGZ-UHFFFAOYSA-N 445.331 5.595 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc4c3CN(CCc3ccc(Cl)cc3)CO4)C2=O)cc1 2321928116 GWEHAURFWYSCPI-UHFFFAOYSA-N 431.919 5.659 30 10 IKEE COc1cccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCc2cccs2)C4)c1 2322194718 OGRFZAUOOBPEJG-UHFFFAOYSA-N 433.529 5.076 30 10 IKEE COc1ccc(CN2COc3c(cc4c(c3C)OC(=Cc3cccc(C)c3)C4=O)C2)cc1 2322305362 FJLDPWWKRRGYCN-UHFFFAOYSA-N 427.500 5.280 30 10 IKEE Cc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(Br)c2)C3=O)cc1 2322671362 SUEBKIFCBDUBGJ-UHFFFAOYSA-N 449.300 5.901 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(C(C)C)cc2)c1OCC(=O)OCC(C)C 2322736630 AEUWODHIWKMMED-UHFFFAOYSA-N 444.955 5.946 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccccc2OCc2ccccc2Cl)cc1C(C)C 2322788535 OPIGXKMGPDRRNY-UHFFFAOYSA-N 434.963 7.256 30 10 IKEE CCCNC(=O)COc1ccc(Cl)cc1C=CC(=O)c1cc(C(C)C)c(OC)cc1C 2322799326 YIWNRRNBQVUEEZ-UHFFFAOYSA-N 443.971 5.582 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1cc(Br)ccc1OCCO 2322828316 WJWWOPGINVRKKS-UHFFFAOYSA-N 446.124 5.032 30 10 IKEE CCCOc1c(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)cc(Cl)cc1OC 2322828516 ZODSIDRFCIFZLY-UHFFFAOYSA-N 429.727 6.349 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccccc1OCC(=O)Nc1ccccc1 2322952876 VYFDLNOQNCISSI-UHFFFAOYSA-N 427.544 6.206 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)NCc3ccco3)c2)cc1 2323076097 KZDIUKIFCIMSMQ-UHFFFAOYSA-N 447.531 5.222 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OC(=O)COc4ccccc4OC)c3C)C2=O)cc1 2323126260 MXPBDYNLLYKYQW-UHFFFAOYSA-N 444.483 5.167 30 10 IKEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CC[C@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C1 2323304298 GHRPPFUHKWKQQN-XLGIIRLISA-N 442.600 5.088 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)Cc4cc(Cl)ccc4Cl)c3C)C2=O)o1 2323409984 RDAIXMDJMIVXQH-UHFFFAOYSA-N 443.282 5.968 30 10 IKEE O=C(C=Cc1cccc([N+](=O)[O-])c1)Oc1ccc2c(c1)OC(=Cc1ccccc1Cl)C2=O 2323434497 XPEOGSMTAMMFIX-UHFFFAOYSA-N 447.830 5.483 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2C)OC(=CC=Cc2ccccc2)C3=O)cc1 2323791733 BRSIQRZORSYKOJ-UHFFFAOYSA-N 426.468 5.785 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc([N+](=O)[O-])c1OCc1ccccc1 2323959446 HGQZPATYWXIEAI-UHFFFAOYSA-N 431.488 6.085 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(CN(C)C4CCCCC4)c(O)cc(C)c3C2=O)cc1 2324077311 KUMKJKUPDQPJDE-UHFFFAOYSA-N 448.607 5.928 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)c1C 2324332629 AOTOVKDVJKNEGP-UHFFFAOYSA-N 439.382 7.702 30 10 IKEE CCOc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)cc1OC 2324412297 KENHSPBOCZUADF-LJQANCHMSA-N 448.544 5.424 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(O[C@H](C)C(=O)Nc4ccccc4C)c3C)C2=O)cc1 2324412466 ZSEJDTMGIPCRHI-GOSISDBHSA-N 443.499 5.334 30 10 IKEE Cc1c(Cl)cccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1cccs1)C2=O 2324430099 HFYKPEIYXXNHGE-CQSZACIVSA-N 439.920 5.732 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4cccc(Cl)c4C)ccc3C2=O)o1 2324430275 JFLQVZYOBPZZOG-OAHLLOKOSA-N 437.879 5.572 30 10 IKEE Cc1cccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4cccc(C)c4C)cc(C)c3C2=O)c1 2324505019 UJWSCRHHUXFOJU-FQEVSTJZSA-N 441.527 5.942 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OCCOc4cccc5ccccc45)c3C)C2=O)c1 2324693932 CEWKARFKIUOCIS-UHFFFAOYSA-N 436.507 6.531 30 10 IKEE CC(C)c1ccc(C=C2Oc3cc(OCC(=O)NCc4ccccc4)ccc3C2=O)cc1 2324963057 DDGJSIYAEIXXJX-UHFFFAOYSA-N 427.500 5.121 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1ccc2c(c1C)OC(=Cc1sccc1C)C2=O 2325098379 ATKRQRDKZMAZLX-IBGZPJMESA-N 442.577 6.262 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O)Nc1ccccc1Cl 2325717679 NTIFKGQMDNVJMH-UHFFFAOYSA-N 440.282 5.627 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OCC(=O)Nc3cc(Cl)ccc3C)c2C)C1=O 2325723970 LIGXBFOVQOKQPV-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCC(=O)Nc4cccc(C)c4)cc(C)c3C2=O)cc1 2325727540 VYOQTAMLEBOXRD-UHFFFAOYSA-N 443.499 5.336 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OC(=O)Cc1cc(C)ccc1C 2325735227 PYPZFCAJFKGHTA-UHFFFAOYSA-N 428.528 5.973 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccc(C)c(C)c4)c3C)C2=O)c1 2325738897 NUCVLICDUOLSHJ-UHFFFAOYSA-N 427.500 5.554 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2cccc(OC(=O)c3ccccc3F)c2)cc1Cl 2325766891 GBYJVDSLVDDCDO-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE COc1ccc(C=Nn2cnnc2SCc2ccccc2)cc1OCc1ccc(C)cc1 2326202880 ILTHZPKSMVJGDD-UHFFFAOYSA-N 444.560 5.349 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1c(C)[nH]c2ccccc12 2326603441 HUNGBMQYFVUPHY-UHFFFAOYSA-N 431.609 6.202 30 10 IKEE CCOc1ccc(C=Nn2c(C)nnc2SCc2cccc(F)c2)cc1Br 2326728603 LKCFMNUFJVRGGW-UHFFFAOYSA-N 449.349 5.061 30 10 IKEE CCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccc([N+](=O)[O-])cc1 2326927050 ICFHHKVBQVAMAZ-UHFFFAOYSA-N 439.585 5.330 30 10 IKEE Cc1cccc(C=Nn2c(Cc3cccc4ccccc34)nnc2SCc2ccccc2)c1 2327749687 HPUJMOXNQRWILW-UHFFFAOYSA-N 448.595 6.505 30 10 IKEE Fc1ccc(CSc2nnc(Cc3ccc(Cl)cc3)n2N=Cc2cccnc2)cc1 2329077680 JGTFZOGOFFOVJG-UHFFFAOYSA-N 437.931 5.231 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2N=Cc2ccc[nH]2)cc1 2329288413 NJLAASCTAKZXDA-UHFFFAOYSA-N 437.956 5.034 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2cccn2C)cc1C 2329395621 WKAYQBVNSLTMFU-UHFFFAOYSA-N 429.593 5.307 30 10 IKEE C=C(C)CSc1nnc(CCc2cccs2)n1N=Cc1ccc(N(CC)CC)cc1 2329662041 YRCJOAFZUWQOCX-UHFFFAOYSA-N 439.654 5.521 30 10 IKEE COc1cc(C=Nn2c(SCc3ccccc3)nnc2[C@@H](C)c2ccccc2)ccc1O 2330104882 IDDXBQKVKCRAKM-SFHVURJKSA-N 444.560 5.319 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)C=Cc1ccc(C)cc1)c1ccccc1 2330296577 SOYYJFZCTXBLDU-HHHXNRCGSA-N 434.624 6.123 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)ccc1OC(=O)c1ccc(F)cc1F 2330765575 XZODEBVMIGYGSR-UHFFFAOYSA-N 436.454 6.041 30 10 IKEE C=C(C)CSc1nnc(CC(C)(C)C)n1N=Cc1ccc(OCCCC)c(OC)c1 2330840760 FBLJFCSZXVXAJV-UHFFFAOYSA-N 430.618 5.605 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccccc1 2330874555 RYVPEBOBRBEUMW-UHFFFAOYSA-N 433.408 6.348 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1[N+](=O)[O-] 2330935131 XQAANBQCISEMJF-UHFFFAOYSA-N 443.927 6.800 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2[C@H]2CCCO2)c1 2330993518 UYYUOCJANHBROZ-JOCHJYFZSA-N 436.581 5.320 30 10 IKEE Cc1ccccc1CSc1nnc(C(F)(F)F)n1N=Cc1ccc(Cl)c(Cl)c1 2331115468 ZXYKWONCAPLQAK-UHFFFAOYSA-N 445.297 6.087 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H](C)c3ccccc3)c(OC)c2)cc1 2331212984 ZTIJGVFJQULQMG-LJQANCHMSA-N 430.500 5.699 30 10 IKEE CCCCc1nnc(SCC(=O)OCC(C)C)n1N=Cc1ccc(Cl)cc1Cl 2331348823 TUUGTPXAFMRMQS-UHFFFAOYSA-N 443.400 5.101 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C(C)(C)C)c1O 2331405026 GRJOWFVAJKRXKX-UHFFFAOYSA-N 430.961 5.118 30 10 IKEE CCCC(=O)Oc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1Br 2331416688 OVULDIOAUHOSRJ-UHFFFAOYSA-N 429.354 6.348 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)CCCSC 2331430514 CKFKSGHEUMJROO-UHFFFAOYSA-N 426.578 5.937 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2cc(C)ccc2C)nnc1C1CCC1 2331523379 UKBUUHKGZKUSGC-UHFFFAOYSA-N 434.609 6.126 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3cc(C)c(OC)cc3C)cc2)cc1 2331835380 AEOVNZKAQJNQIV-UHFFFAOYSA-N 442.555 6.309 30 10 IKEE CC1(C)CCCC[C@]1(C#N)Cc1ccc(I)c(Br)c1 2349879136 ZOFXWVBAIPYONM-MRXNPFEDSA-N 432.143 5.706 30 10 IKEE O=[N+]([O-])c1cccc(/C=N/c2ccc3oc(-c4cccc(Br)c4)nc3c2)c1O 3192675 FXTAIFMULBXMJU-SSDVNMTOSA-N 438.237 5.622 30 10 IKEE C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C 4095803 HUNLTIZKNQDZEI-PGFZVWMDSA-N 426.729 8.025 30 10 IKEE in-vitro O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccc(Cl)cc1)Nc1ccccc1N2 20883487 ZNGDUZVIZVAEQX-CRICUBBOSA-N 435.354 6.973 30 10 IKEE CN(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(O)cc2)cc1 21230302 PSLLQZKSDIXQCE-XHCCPWGMSA-N 425.532 5.438 30 10 IKEE CCCCCCOc1ccc(/C=N/N=C/c2ccc(OCCCCCC)cc2O)c(O)c1 27467526 MOIWEMXEOCCSMZ-MKYUKRCKSA-N 440.584 6.469 30 10 IKEE biogenic CC/C=C(\CC)C(=O)c1ccccc1[C@H](C[C@@H](C)CC)NS(=O)(=O)c1ccc(C)cc1 32105744 FDXBWQQSFVREBJ-PFQWNYQPSA-N 441.637 6.380 30 10 IKEE CCOc1ccc(-n2c(C)cc(/C=N/N=C(\C(=O)c3ccccc3)c3ccccc3)c2C)cc1 33413710 KIXKCHBZMBTYKE-WKLDVNKYSA-N 449.554 6.199 30 10 IKEE CC(C)(C)/N=C/C=C(/Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1ccccc1 35548361 NKHFUGFAONPQQI-MGXXDSMASA-N 437.612 7.746 30 10 IKEE C=CCN1C(=O)c2[nH]nc(-c3c(C)cc(C)cc3O)c2[C@H]1c1ccc(Cl)c(Cl)c1 38704781 GTFBTQPAOWVDAB-OAQYLSRUSA-N 428.319 5.437 30 10 IKEE C=CCN1C(=O)/C(=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21 59038549 QCIZTZVYLKBASN-WUKNDPDISA-N 447.368 5.302 30 10 IKEE Cc1ccccc1/C=N/c1cc2c3c(c1)[C@H](c1ccccc1)CCN3CC[C@H]2c1ccccc1 59506183 ADUWLHJXDRIDLW-FTFBESHGSA-N 442.606 7.623 30 10 IKEE C=CCCC(=O)Nc1ccc2nc(SCC(=O)Nc3cc(Cl)ccc3C)sc2c1 59721151 MYRNTVBZKROZCO-UHFFFAOYSA-N 445.997 5.894 30 10 IKEE C=C(C)COc1ccccc1NC(=O)CNc1ccc(OCCOc2ccccc2)cc1 66227895 ALELKHGNMJWMSP-UHFFFAOYSA-N 432.520 5.150 30 10 IKEE C/C=C\Oc1ccc(C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3o2)cc1 98037250 KOCPPQOGKJFGLW-ZLJFWKDMSA-N 426.428 6.072 30 10 IKEE CCCCCCCCOc1ccc(N/C=C2/N=C(c3cccc4ccccc34)OC2=O)cc1 100168343 PECVOBPXJQXXMJ-LHLOQNFPSA-N 442.559 6.836 30 10 IKEE CCCCCCCOc1ccc(NC(=S)NC(=O)c2cccc(Br)c2)cc1 100447955 CDVWYFVFXQONCV-UHFFFAOYSA-N 449.414 5.925 30 10 IKEE CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2)S/C1=N/c1cccnc1 101124776 REKDEDIVCDVQPR-GKOYHKHUSA-N 449.963 5.938 30 10 IKEE CCCCCCCCCCCCn1c(CCCNC(=O)c2ccco2)nc2ccccc21 102148124 YVHNTPAMQDUACV-UHFFFAOYSA-N 437.628 6.913 30 10 IKEE Cc1ccc([C@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 103097035 OQGFORKXTOCTTI-AGGMBTAESA-N 444.487 5.370 30 10 IKEE CCCCCCCOc1ccccc1/C=N\Nc1cnn(-c2ccccc2)c(=O)c1Cl 169895024 YUUYKGYVAAAGBR-ONUIUJJFSA-N 438.959 5.681 30 10 IKEE Cc1ccc(C(C)(C)C)cc1S(=O)(=O)N/N=C/c1c(Cl)ccc(Cl)c1Cl 169902359 ASNFHWKXEOXHJI-LSHDLFTRSA-N 433.788 5.565 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2cccc(C)c2C)cc1 169925032 QLKZIJPGONFTAE-XMMPIXPASA-N 427.500 5.403 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccccc2C)c1 169936982 MFYMSNGJOWDNSV-XMMPIXPASA-N 439.467 5.533 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1cccc(C)c1 169969825 BOUUMRHUBWWHEC-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)[C@@H]1c1ccco1 170095493 YFHWXGXNHJEESW-OAQYLSRUSA-N 441.405 5.400 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)o1 170101808 PVXGHUNTEBZVBR-NRFANRHFSA-N 439.870 5.780 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2Cc2cccs2)c1 170139005 DRXPOCTUEPMWHE-QHCPKHFHSA-N 447.556 5.622 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccc(C)c2)c(C)c1 170140446 HRQOEWACGYZFQG-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccc(F)cc2)c1 170140569 DKBOHLDHUAHENG-QHCPKHFHSA-N 427.431 5.663 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccn2)cc1C 170170671 FCPGSADUFHPWFD-XMMPIXPASA-N 442.515 5.270 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccnc2)cc1C(C)C 170196915 MIFNOQPVEJFTJK-HSZRJFAPSA-N 434.536 5.125 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(O)c(Cl)c1 170219664 GSNWDLNKPCHLJZ-FQEVSTJZSA-N 425.868 5.170 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccccc2)c1 170226750 JLKNSEMCQZPKGJ-HSZRJFAPSA-N 447.918 5.912 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2ccccc2)c(C)c1 170229380 GXMLXCLCEGMDBW-JOCHJYFZSA-N 435.426 5.065 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)cc(OC)c3o2)[C@@H]1c1ccccc1 170232802 OXLHQHWVATYBON-IBGZPJMESA-N 425.868 5.083 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccc2F)cc1 170247908 IPXBTVFRSAESCF-QFIPXVFZSA-N 435.426 5.146 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@H]1c1ccc(CC)cc1 170267608 DDBRKSQMCHNYBX-XMMPIXPASA-N 435.564 5.662 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccco2)cc1 170282363 ULYYAFQFVUZVBH-JOCHJYFZSA-N 435.451 5.236 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(Cl)c3)[C@H]2c2ccco2)cc1 170283288 QAZPJYHINXBUCW-OAQYLSRUSA-N 437.879 5.287 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cc(Cl)ccc2C)[C@H]1c1ccco1 170284479 GVYZTTQCLVUUTB-FQEVSTJZSA-N 441.842 5.172 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(C)o2)cc1C 170311387 QYRNCNIEEMACEC-HSZRJFAPSA-N 449.478 5.131 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1CCOC(C)C 170313341 VZBMBQVQTCMLDC-OAQYLSRUSA-N 435.545 5.213 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(N3CCCC3)cc2)c1 170342494 ANMMLZMJRBUCRY-VWLOTQADSA-N 438.527 5.378 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1CCCC[C@H]1CN1C(=O)c2ccccc2C1=O 170556465 GYIFMVMPDJRHNQ-LEWJYISDSA-N 426.601 5.346 30 10 IKEE C=CCn1c(SCc2ccc(Br)cc2)nnc1-c1ccc2ccccc2c1 253577793 XMMNNZJGMOKTJW-UHFFFAOYSA-N 436.378 6.339 30 10 IKEE FC(F)(F)c1ccccc1NC(=S)NN=Cc1c[nH]c2ccc(Br)cc12 254573745 WLSYNJKMBJKXDP-UHFFFAOYSA-N 441.276 5.270 30 10 IKEE Cc1ccc(N=C2S/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)N2c2ccc(C)cc2)cc1 254703370 CJVRVNXVLRVBKZ-IBORXNHRSA-N 429.501 6.020 30 10 IKEE COc1ccc(-c2nc(NN=Cc3ccc(OC)cc3OC)sc2-c2ccccc2)cc1 254708670 RYPZMXSRTGJBGH-UHFFFAOYSA-N 445.544 5.949 30 10 IKEE COc1cc(-c2nc3ccccn3c2N=Cc2ccc(-c3ccc(F)cc3F)o2)ccc1O 254820728 ZIMVYWSLUPXFAQ-UHFFFAOYSA-N 445.425 6.004 30 10 IKEE CCOc1ccc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526514509 DDWNFHMTZULEOP-QHCPKHFHSA-N 430.891 5.668 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1ccc(OCC)c(OCC)c1 526807845 HMRMBKVEWGLVBF-XYGWBWBKSA-N 438.597 5.511 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccccc1[N+](=O)[O-] 526808767 PXVHFPQWKNVLEM-XKZIYDEJSA-N 429.933 5.357 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1c(C)n(C)c2ccccc12 526812122 ZVJGWDZMSCTRKI-QFEZKATASA-N 438.000 5.859 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1cccc(OCC)c1O 526812701 ILQZTNZLFRAXPT-OYKKKHCWSA-N 444.988 5.553 30 10 IKEE CCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1ccc(N(CC)CC)cc1 526825043 HDGACTFDQJFMNQ-XYGWBWBKSA-N 425.577 5.390 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCCc2ccccc21 698458786 QXJSXPDFQCYBLL-QFIPXVFZSA-N 427.342 5.946 30 10 IKEE COc1ncc(-c2ccc(C(=O)OC(C)(C)C)cc2C)cc1C#CCCc1ccccc1 725407876 NWMQWCRSFLICBT-UHFFFAOYSA-N 427.544 6.005 30 10 IKEE C[C@@H]1CCCC[C@H]1NC(=S)/C(=C(/O)c1ccc(C#N)cc1)[n+]1ccc2c(c1)CCCC2 762439027 CMLLAYJBFJKDKG-WZONZLPQSA-O 432.613 5.104 30 10 IKEE CC#C[C@@]1(O)CC[C@H]2[C@H]3CCC4=CC(=O)CCC4=C3[C@H](c3ccc(N(C)C)cc3)C[C@]21C 1074827520 VKHAHZOOUSRJNA-ALCXBMFASA-N 429.604 5.407 30 10 IKEE Brc1ccc(C=Nc2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1 1084074342 JURCQCLMERDIMU-PWWKTKHKSA-N 429.361 7.026 30 10 IKEE O=C(/C=C1/S/C(=N/c2ccccc2)N(c2ccccc2)C1=O)Nc1cccc(Cl)c1 1615709585 GZDUYTRYVKOIIC-ZNURURQISA-N 433.920 5.630 30 10 IKEE CN(Cc1ccccc1)/C(=N/N=C/c1ccc([N+](=O)[O-])cc1)Sc1ccc(Cl)cc1 1615945534 ZZFPCQFXYDHHEB-JZIGQTSASA-N 438.940 5.862 30 10 IKEE O=C(O)c1cccc(N=C2S/C(=C/c3cccc([N+](=O)[O-])c3)C(=O)N2c2ccccc2)c1 1772733499 BCASDCMZFRXGEL-JTKXPSIUSA-N 445.456 5.102 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(OCC)cc2)SC1=Nc1nc(-c2ccccc2)cs1 1772736155 JLDFXFLIJVXZTC-POLMPROESA-N 447.585 5.999 30 10 IKEE COc1ccc(/C(C)=C2\SC(=Nc3nc(C)cs3)N(C3CCCCC3)C2=O)cc1 1772737994 NBOPTGSISIEGSQ-XUAJVFRHSA-N 427.595 5.787 30 10 IKEE C=CCN1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=Nc1ccc(C(=O)O)c(O)c1 1772761150 XYEGEEBMALGSIY-HJTUMBPSSA-N 449.315 5.187 30 10 IKEE CCCCCCCCCOc1cccnc1NC(=O)CC(c1ccccc1)c1ccccc1 1858750104 LPNIELQHKRVQGJ-UHFFFAOYSA-N 444.619 7.372 30 10 IKEE Cc1cccc(C)c1NC(=O)Oc1cccc2c(NC(=O)c3cccc(C#N)c3)cccc12 1858779961 HXYXIOTUAITGHM-UHFFFAOYSA-N 435.483 6.192 30 10 IKEE N#Cc1c(NC(=O)CCn2c3ccccc3c3nc4ccccc4nc32)oc2c1CCCC2 1859491306 VGMUGBDPZMBTEH-UHFFFAOYSA-N 435.487 5.110 30 10 IKEE CCCC[C@@H](C)N(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 1859993938 DYUGXZNUWOGVAG-CYBMUJFWSA-N 435.383 7.089 30 10 IKEE N#Cc1cccc(C(=O)Nc2ccc(Cl)c(NC(=O)c3c(F)cccc3Cl)c2)c1 1860461468 BGDADYBBXGMKRX-UHFFFAOYSA-N 428.250 5.509 30 10 IKEE Cc1c(Cl)cccc1NC(=O)CSc1nc(O)c(C#N)c(-c2cccc(Cl)c2)n1 1860463448 AGNDLAJMMHDZBE-UHFFFAOYSA-N 445.331 5.067 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)c1ccc2nc(CCC)[nH]c2c1 1861454029 PRLWFRGBDKCTHK-OAQYLSRUSA-N 428.621 5.281 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2c(F)cccc2Cl)cc1 1862398093 VIZALNAFOZFTHY-QRQCRPRQSA-N 443.946 6.199 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(OC)cc1 1862458285 KMNIQMIOQVBOLW-OAQYLSRUSA-N 447.453 5.271 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@H]2c2ccc(O)cc2)c1 1862489589 CUWCGDSZKDIXRR-QHCPKHFHSA-N 447.918 5.441 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc(F)cc2F)cc1 1862515898 GPGSKHXDWPJFNS-JOCHJYFZSA-N 443.490 5.378 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2ccc(C(C)C)cc2)cc1 1862516529 QNWIPRRGLRFHHM-UUOWRZLLSA-N 435.564 5.976 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2ccccc2Br)cc1 1862540009 DCWKBORCYNHFLO-VBKZILBWSA-N 442.353 5.388 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862590833 RASCZMKDSVNYQG-XDHUDOTRSA-N 427.500 5.294 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2ccccc2F)cc1F 1862639384 XHNLAJGOXGSEJD-HSZRJFAPSA-N 449.453 5.060 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)cc1 1862664117 WETYMIUZEJYEDQ-VFHOHQAYSA-N 445.603 6.529 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(F)cc1F 1862700533 ISGRNNNUCGBVFZ-OAQYLSRUSA-N 429.463 5.132 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccccc1 1862722067 MWSNKVWKVQMYGY-SANMLTNESA-N 439.555 6.512 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1Cl 1862751687 OUBJWXXMYZVTNH-LJQANCHMSA-N 428.872 5.017 30 10 IKEE CCc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3cccc4ccccc34)C2=O)cc1 1862842756 FOBFUWWIKWTSBE-UHFFFAOYSA-N 443.506 5.670 30 10 IKEE CC(C)c1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccccc3F)C2=O)cc1 1862926537 SJFDDLAXGUSCHP-UHFFFAOYSA-N 425.463 5.217 30 10 IKEE Cc1cc(C2=C(Nc3cccc(C#N)c3)C(=O)N(Cc3cccc(Cl)c3)C2=O)ccc1F 1863462505 DYSMJHCVKDYFMI-UHFFFAOYSA-N 445.881 5.051 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCOCCCC)=C(c2ccc(Cl)cc2)C1=O 1863535868 YFEROVAYHSVPBE-UHFFFAOYSA-N 449.035 5.577 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCN(CC)CC)=C(c2ccccc2Cl)C1=O 1863778360 JUSUFMMRFZXMQR-UHFFFAOYSA-N 448.051 5.102 30 10 IKEE C=CCN(CC=C)c1cc(N2CCN(c3cccc(C)c3)CC2)nc(-c2ccc(C)cc2)n1 1867966094 PUHILBGVCHFPDE-UHFFFAOYSA-N 439.607 5.265 30 10 IKEE CCCCCCCCC(=O)N1CC(Oc2ccc(C(=O)Nc3cccc(C)c3C)cc2)C1 1869903934 IMUWMKXRQXPBSL-UHFFFAOYSA-N 436.596 5.896 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)NCCCC)c(=O)cc1CSCC 1870287017 FVCQFQYBLNQBEJ-UHFFFAOYSA-N 438.678 5.537 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCCCCCC)cn1Cc1ccccc1Cl 1870409012 HRZLAHLFRSWRRQ-UHFFFAOYSA-N 443.031 6.073 30 10 IKEE CCCCCCCOc1cn(CCCC)c(CN(CCCC)CCCCCC)cc1=O 1870409368 PUBIQKHTCUOIOC-UHFFFAOYSA-N 434.709 7.180 30 10 IKEE CCCCCCCCCCn1cc(OCCCCCCC)c(=O)cc1CN1CCCCC1 1870411987 VFAFKTXBZLQCHF-UHFFFAOYSA-N 446.720 7.324 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(F)cc2)cn1Cc1ccccc1C 1870625799 SWDBHABBJZMHIM-UHFFFAOYSA-N 432.539 5.097 30 10 IKEE CCCCCCCCn1cc(OCC(=O)N(CC)CC)c(=O)cc1CN(CCC)CCC 1870632364 ZWJMLIQKOFQZOR-UHFFFAOYSA-N 449.680 5.078 30 10 IKEE C=CCOc1cn(CCCCN(CC)CC)c(CNc2ccc(C(C)C)cc2)cc1=O 1870812289 BDWPXIBPNJWASY-UHFFFAOYSA-N 425.617 5.271 30 10 IKEE Cc1c(OC(=O)/C=C/c2ccc(F)cc2)ccc2c1O/C(=C\c1ccc(N(C)C)cc1)C2=O 1871366005 MXYIGRYYWGNJKJ-WALZVUBYSA-N 443.474 5.435 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1[N+](=O)[O-] 1871374839 FVCYUJRSCMTUJW-FBHDLOMBSA-N 435.819 5.392 30 10 IKEE Cc1cc(OC(=O)c2cccc(Oc3ccccc3)c2)cc2c1C(=O)/C(=C/c1ccncc1)O2 1871379242 NDBKPBROKXWCBH-MYYYXRDXSA-N 449.462 6.018 30 10 IKEE Cc1c(OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)ccc2c1O/C(=C\c1ccccc1)C2=O 1871382037 KYLLDHRZONLUBM-XFXQNUIPSA-N 427.412 5.138 30 10 IKEE COc1ccc(/C=C2\Oc3c(CN4C[C@@]5(C)C[C@H]4CC(C)(C)C5)c(O)cc(C)c3C2=O)cc1 1871394403 WBGWZWXGRLHBEZ-OPLNFVGMSA-N 447.575 5.726 30 10 IKEE COc1ccc(OCCOc2ccc3c(c2C)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871414418 FYHJTFBWLMIJSL-HAHDFKILSA-N 436.891 5.731 30 10 IKEE CC(=O)c1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871421900 BJACTRJCFNFPJC-CLMGESTGSA-N 439.467 5.079 30 10 IKEE Cc1c(Cl)cccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 1871427159 QRKKZFDJMHIODA-JJFYIABZSA-N 437.854 5.421 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2cccc(Cl)c2)C3=O)c1 1871456660 PJEAGWIVUSNUBL-XKZIYDEJSA-N 433.891 5.591 30 10 IKEE C=CCN([C@@H](CC)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1cc(C)ccc1C 1872225242 CJPQNKBLZPOVLE-QFIPXVFZSA-N 442.625 5.195 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(Cl)cc1 1872510524 CHHOFKDNMAJESQ-JOCHJYFZSA-N 449.016 5.331 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1)S(=O)(=O)c1ccccc1 1872561923 HKEFUCQOGBLUCJ-VWLOTQADSA-N 448.588 5.250 30 10 IKEE CCOc1ccc(-c2nc(C3=C(N)N(c4ccccc4[C@H](C)CC)CC3=O)sc2C)cc1 1872726502 ZYGMOBYSLXQTJE-MRXNPFEDSA-N 447.604 5.747 30 10 IKEE CCOc1cc(-c2nc3ccc(C(=O)Nc4cccc(C#N)c4)cc3[nH]2)ccc1OC(C)C 1872735106 FYDSTNIZOXXUQS-UHFFFAOYSA-N 440.503 5.540 30 10 IKEE Cc1nc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc5ccccc5c4)cs3)cc2nc1C 1872760515 QIWJVDCRBGBFBZ-NRFANRHFSA-N 434.524 6.013 30 10 IKEE N#C[C@H](C(=O)CCc1ccc(Cl)cc1)c1nc(-c2cccc(Br)c2)cs1 1872763213 HDVXGTSYPUQVHV-QGZVFWFLSA-N 445.769 6.035 30 10 IKEE CCCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(F)cc3)cs2)cc1OCC 1872776083 HTVHGZKYJBGMRP-IBGZPJMESA-N 438.524 6.017 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4nc(C)c(C)nc4c3)n2)c(C)c1C 1872777988 ARRHIZVQWSKIJR-LJQANCHMSA-N 442.544 5.486 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc(COc2cccc(C(=O)OC)c2)cc1 1872861834 IFFFXWWRMKNUSW-UHFFFAOYSA-N 425.569 5.923 30 10 IKEE C=CCN1C(=O)C(NCCc2ccc(Cl)cc2)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873081808 PTSCKPJDWLLRAX-UHFFFAOYSA-N 442.946 5.105 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C(C)(C)C)c2)cc2c(N3CCC(C)CC3)ncnc21 1873644542 VYKSKZUBCLKGKJ-UHFFFAOYSA-N 431.584 5.403 30 10 IKEE C=CCn1c(C(=O)Nc2cc(Cl)ccc2C)cc2c(N(CC)CCCC)ncnc21 1873654626 NMJMSQRDFMDXID-UHFFFAOYSA-N 425.964 5.458 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccc(C(C)(C)C)cc3)c(=O)oc2c1C 1873913485 WOJPKAHPEWWMTR-UHFFFAOYSA-N 433.548 5.843 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1ccccc1 1874197148 VDYFOJDZOFJWKO-OVVQPSECSA-N 442.588 5.993 30 10 IKEE CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1cc(Cl)ccc1O 1874217118 WCFVEUIUEMUJPX-LSFURLLWSA-N 437.352 5.090 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1cccc(F)c1 1874232309 SRUQVJQDDUORTB-JVWAILMASA-N 430.552 5.906 30 10 IKEE CCCCOc1ccc(/C=N/n2c(COc3ccc(OCC)cc3)nnc2SC)cc1 1874234480 KCOSYFNNNCFGFH-LFVJCYFKSA-N 440.569 5.039 30 10 IKEE C=CCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1c(F)cccc1Cl 1874247825 YJYBILGGXGXLIF-MFKUBSTISA-N 444.963 5.551 30 10 IKEE C=C(C)CSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1c[nH]c2ccccc12 1874255386 ZAFPQRCKTSXEDH-UVHMKAGCSA-N 445.592 5.814 30 10 IKEE CCCCC1CCC(c2nnc(SCCCO)n2/N=C/c2ccc(CC)cc2)CC1 1874286767 XROBDTCSRHNMBY-XIEYBQDHSA-N 428.646 5.661 30 10 IKEE CCCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1c(Cl)cccc1Cl 1874343459 RSJSLQUHJSRYIK-FSJBWODESA-N 439.799 6.213 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2C)n1/N=C/c1cccn1C 1874361552 VGZFOSWBEQVIJK-YZSQISJMSA-N 429.593 5.193 30 10 IKEE Fc1ccc(CSc2nnc(Cc3ccccc3F)n2/N=C/c2cccs2)cc1 1874373395 HXXPTBGLAGTJIZ-ZMOGYAJESA-N 426.517 5.383 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(C)c3)n2/N=C/c2ccccc2C)cc1 1874388679 YNJKLTQMAIRBRL-WPWMEQJKSA-N 426.589 5.969 30 10 IKEE C=C(C)CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1ccc(Br)cc1 1874395903 YDBIBBQRXYPMMV-OHHQFBAHSA-N 441.398 5.743 30 10 IKEE Cc1ccccc1/C=N/n1c(CC(C)(C)C)nnc1SCC(=O)Nc1c(C)cccc1C 1874437941 BEDXKYUFULDAFU-CVKSISIWSA-N 449.624 5.405 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2[C@H]2CCCO2)cc1 1874450113 UFCFAVYVOMNYPW-FXZATJRASA-N 442.588 6.020 30 10 IKEE COCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccccc1C 1874472942 FGZIAJQIGTXNKE-FSJBWODESA-N 435.380 5.257 30 10 IKEE C=CCSc1nnc(CCCC)n1/N=C/c1ccc(OCCCCC)c(OCC)c1 1874478971 BHXBZWPZNHHJQK-HKOYGPOVSA-N 430.618 5.749 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1c(F)cccc1Cl 1874480071 GSWSCIZPVQLHDY-WYMPLXKRSA-N 437.371 6.241 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CC2)cc1 1874520246 IPMSNBLBHDWSIO-MFKUBSTISA-N 440.016 5.830 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(Cl)c(Cl)c1 1874525671 AAIVJSQDCCFRCO-DHRITJCHSA-N 441.387 6.475 30 10 IKEE CCCOc1ccc(/C=N/n2c(CC)nnc2SCc2c(F)cccc2Cl)cc1 1874528793 BDJXWGVQYLRNDN-ZMOGYAJESA-N 432.952 5.596 30 10 IKEE Cc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874530012 MTVMMZHLJINWJW-CVKSISIWSA-N 446.507 5.119 30 10 IKEE Cc1ccc(Cc2nnc(S)n2/N=C/c2cccc(OCc3ccccc3)c2)cc1C 1874562101 BRPWOQCBJXWZPW-WGOQTCKBSA-N 428.561 5.236 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cccc(OC)c1OCc1cccc(C)c1 1874588723 AOOSLKJDPABKQY-VAWYXSNFSA-N 436.935 6.449 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3ccc(C)cc3)c2)cc1C 1874593596 RQKFPYMVTHHBMG-KPKJPENVSA-N 445.515 5.234 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1C 1874599960 MHDYLJNJCSCWHJ-CSKARUKUSA-N 441.354 7.094 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccccc1F 1874606332 IJFMETQBLPSOGO-YRNVUSSQSA-N 445.317 7.006 30 10 IKEE C=C(C)COc1c(Br)cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OCC 1874635544 RNLKAINHJQLOLV-CMDGGOBGSA-N 443.381 6.624 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(F)c(F)c2)c1)c1cccc(Br)c1 1874698178 ZOEBNBWKTVRZJU-JXMROGBWSA-N 443.243 5.843 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(OCC)cc2)CSc2nnc(C3CC3)n21 1874847501 MCIGNPAOGQQTBR-NRFANRHFSA-N 442.629 5.616 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 1875102789 DXRRQMWEVAGCSM-GXDHUFHOSA-N 445.471 5.671 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC3CCCCC3)c(Cl)c2)cc1C 1875107483 SFUCEZWGKYYDHP-DHZHZOJOSA-N 426.940 6.429 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(N(C)C)cc2)c(Cl)c1 1875118747 MDQYYNJENKKALC-RIYZIHGNSA-N 435.907 5.530 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3F)cc2[N+](=O)[O-])cc1 1875120911 PNZGSBPVPIKSDS-UXBLZVDNSA-N 437.398 5.226 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)COc1ccccc1 1875136638 TZDXWFMPENKUOY-DTQAZKPQSA-N 442.511 5.613 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cc(Cl)c(OC(=O)C3CCCC3)c(OC)c2)c1 1875144379 QDNMHGUWVICKET-CSKARUKUSA-N 444.911 5.358 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3)c(Cl)c2)c1 1875145557 MMRKAFPBYDCHLB-DHZHZOJOSA-N 436.891 5.401 30 10 IKEE COCCOCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1Cl 1875148228 HQKZQUJEHPDEJB-VZUCSPMQSA-N 430.928 5.102 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1Cl 1875154232 VBFKHOQYPFANBP-FYWRMAATSA-N 426.899 6.917 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3-c3ccccc3)cc2)cc1 1875155860 DEEUVTSSPHUNLZ-KGENOOAVSA-N 446.546 7.592 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1 1875161655 AQJMFTNDJSSFEK-WLRTZDKTSA-N 426.846 6.053 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1C 1875174808 JUAOEMHPZUFYPS-NYYWCZLTSA-N 435.863 5.980 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)cc(Cl)c1OC(C)=O 1875185406 BPNDXQMGGVHWLG-SNAWJCMRSA-N 429.683 5.485 30 10 IKEE CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1880354560 VJBNFJCEWMTFBO-NLFFAJNJSA-N 443.588 5.351 30 10 IKEE C=C(COCc1ccccc1)[C@H](Cc1csc(NC(=O)OC(C)(C)C)n1)NCCC 1922078397 WKEOUEVGFYKQQV-FQEVSTJZSA-N 431.602 5.174 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@]1(CCC)CCCN(C(=O)OC(C)(C)C)C1 1922090831 CUYSPDMNRRTQCX-OZXSUGGESA-N 430.633 5.555 30 10 IKEE C#CCCN(CCC)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC 1984781822 AVIOOKFBYBTFFC-FNZWTVRRSA-N 446.591 5.202 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]1(C)[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1999897394 NOQDHOYPAWJIBG-GOTSBHOMSA-N 449.979 5.763 30 10 IKEE CC[C@@]1(Nc2ccc(C#N)cc2Br)CCCN(C(=O)OCc2ccccc2)C1 2043971108 NEGBSRWQRCKMGB-JOCHJYFZSA-N 442.357 5.314 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C12CCC2 2053045168 SFCFIBONHNGTNY-AVRWGWEMSA-N 447.620 5.533 30 10 IKEE CCc1ccc(C(C=Cc2ccc(F)cc2)=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 2053487798 IKZXOSWMKYTPPV-UHFFFAOYSA-N 434.427 5.734 30 10 IKEE Cc1ccc([C@@H](C(C)C)n2nc(C3CCC3)c(C#N)c2I)c(C)c1 2079036024 OMYSXOWRIBKJBI-LJQANCHMSA-N 433.337 5.489 30 10 IKEE Fc1ccc(Cn2nc(C3CC3)c(C(F)(F)F)c2Br)c(C(F)(F)F)c1 2079808880 SMPNTZXZGSNIBZ-UHFFFAOYSA-N 431.149 5.748 30 10 IKEE CC1([C@@H](c2ccc(C(F)(F)F)cc2)n2nc(C(F)(F)F)c(C=NO)c2Cl)CC1 2079932080 JPNWMEPFRIHFDT-CYBMUJFWSA-N 425.760 5.772 30 10 IKEE ON=Cc1c(C2CCC2)nn([C@@H](c2ccc(C(F)(F)F)c(F)c2)C2CCC2)c1Cl 2080002669 AXAHABOPQPUWKH-GOSISDBHSA-N 429.845 6.160 30 10 IKEE CC(C)(C)c1nn(C(F)(F)F)c(Br)c1-c1cc(F)cc(C(F)(F)F)c1 2080849107 UFXHAPJPCUTOJU-UHFFFAOYSA-N 433.165 6.244 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(C)c1Br)NCCC 2144180023 ILGMEPLYYHRIAX-RBUKOAKNSA-N 439.438 5.528 30 10 IKEE CN(Cc1cccc(CNc2ccc(C#N)c(Br)c2)c1)C(=O)OC(C)(C)C 2162327881 NBWRLASSKMFDTQ-UHFFFAOYSA-N 430.346 5.300 30 10 IKEE CCCCCCCC[C@@H](C(N)=O)N(C(=O)OC(C)(C)C)c1ccccc1Br 2207470412 RPLWZRSFCCUYRK-SFHVURJKSA-N 441.410 5.795 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@H](C#N)c1c(F)ccc(Br)c1F 2209378899 IXLGYWSESLXMIY-MRXNPFEDSA-N 437.284 5.729 30 10 IKEE C=C(Cl)C[C@H](NCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2221690919 WKYNWRLEFZHQGI-IRXDYDNUSA-N 431.802 5.006 30 10 IKEE C=C(C)CC[C@@H](NCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229125994 KRFAXWPHUGYUFS-MOPGFXCFSA-N 425.411 5.219 30 10 IKEE C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2255544180 VGAWHHHJRGMFCP-KRWDZBQOSA-N 439.792 5.080 30 10 IKEE CN[C@H](CC=CC#CC(C)(C)C)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2256695396 YOYOMUPKXHBJKB-HSZRJFAPSA-N 440.628 5.024 30 10 IKEE C=CC[C@@H](OCCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2261619877 IORPSKILVWNYRC-XMMPIXPASA-N 432.516 5.953 30 10 IKEE CN(Cc1cccc(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)c1)C(=O)OC(C)(C)C 2266999017 KAXYEXBVIUCMJO-UHFFFAOYSA-N 444.381 5.009 30 10 IKEE COc1ccc(CNc2cccc(Br)c2C#N)cc1NC(=O)OC(C)(C)C 2284071943 YYAXDASVCOUDMB-UHFFFAOYSA-N 432.318 5.288 30 10 IKEE CCOC(=O)C1=C(Nc2cccc3ccccc23)SC(=Cc2ccccc2OC)C1=O 2293628337 RAYLBJICONGNLU-UHFFFAOYSA-N 431.513 5.392 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@](C)(NC(=O)OC(C)(C)C)C(C)C 2296292525 ZFRXEEJYUNHZSV-DENIHFKCSA-N 437.422 5.108 30 10 IKEE Cc1nc(N2C(=O)C(=O)C(=C(O)c3ccc(Cl)cc3)[C@@H]2c2cccs2)sc1C 2296767325 RQNQQYQBGQKQKM-INIZCTEOSA-N 430.938 5.101 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccc(Br)cc1)C2=O)c1cccs1 2296867557 XRFOLUPJUCVGEX-UHFFFAOYSA-N 427.275 5.346 30 10 IKEE C[C@H]1Oc2ccccc2C=C1C=C1Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2C1=O 2296868478 JONRCRQRQIPHPJ-OAHLLOKOSA-N 444.870 5.883 30 10 IKEE O=C1C(=Cc2ccc(Br)o2)SC(=Nc2ccccc2)N1C1CCCCC1 2313541293 ZCWDKFBPYYYJMF-UHFFFAOYSA-N 431.355 5.979 30 10 IKEE COc1ccc(C=C2C[C@@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)C2=O)cc1OC 2313830398 IXKJEQQDDXKZRU-QJSPESIESA-N 436.592 5.590 30 10 IKEE C=CCC1([C@H](NCC)c2ccc(OCc3ccccc3)cc2)CN(C(=O)OC(C)(C)C)C1 2314447577 ZNKHOWNTXCIULN-XMMPIXPASA-N 436.596 5.729 30 10 IKEE COc1c(Br)cc(C=NNc2ccc(Cl)cc2)c(OC)c1Br 2318413791 UHTQGWFGVZLXDB-UHFFFAOYSA-N 448.542 5.328 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)cc1 2319198530 LOJWIUYGDRDXCD-HSALFYBXSA-N 445.560 5.022 30 10 IKEE CCCN[C@H](C#C[C@@H](OC)C1CCCC1)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 2320498378 WYCBRWPPKMUSJF-JWQCQUIFSA-N 442.644 5.391 30 10 IKEE Cc1c(OCc2ccc(Cl)cc2)ccc2c1OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2321770845 LTLJOAXGPJRINH-UHFFFAOYSA-N 432.947 7.141 30 10 IKEE Cc1ccccc1CSc1nncn1N=Cc1cccc(OCc2ccccc2Cl)c1 2321813356 VWTISFJDAUDIFE-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE CCCCOc1ccc(C=Nn2c(S)nnc2CCc2ccccc2C)cc1OCC 2321993854 YTHBRMGAJADVML-UHFFFAOYSA-N 438.597 5.120 30 10 IKEE COc1cccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(C2CCCCCCC2)C4)c1 2322178951 PKCANFRJEQLICI-UHFFFAOYSA-N 433.548 5.885 30 10 IKEE Cc1cccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2cccc(Cl)c2)C4)c1 2322214272 KCTSAKOTPDTSRE-UHFFFAOYSA-N 431.919 5.925 30 10 IKEE COc1ccc(OCc2nnc(S)n2N=Cc2cccc3ccccc23)c(C(C)(C)C)c1 2322284146 RVUSJEGBMWYNOR-UHFFFAOYSA-N 446.576 5.487 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2ccccc2c1C=CC(=O)c1cccc(Cl)c1 2322524739 HOHFASMVXWMBHZ-UHFFFAOYSA-N 449.978 6.417 30 10 IKEE COC(=O)c1ccc(COc2c(C=CC(=O)c3cccc4ccccc34)cccc2OC)o1 2322724736 LZKQYRFLAQRDBA-UHFFFAOYSA-N 442.467 5.703 30 10 IKEE Cc1cc(OC(=O)Cc2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)O2 2322900894 LMJDMLAQUNDESI-UHFFFAOYSA-N 449.846 5.321 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1OCc1ccc(Cl)cc1 2323047476 YQCULVPCXTZBKH-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1OCc1ccc([N+](=O)[O-])cc1 2323047680 AFKYJVYFVFEVLB-UHFFFAOYSA-N 439.467 6.232 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3ccc(C)cc3)c2)cc1 2323063406 WWKIYKKNWGJAQR-UHFFFAOYSA-N 429.516 5.480 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc(F)c(F)c4F)c3C)C2=O)cc1 2323126832 IFLDEYISAKUOIU-UHFFFAOYSA-N 440.373 5.256 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2ccc(OC)c(OCc3ccccc3)c2)cc1Cl 2323279435 INVLTXWQJHBUEK-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1C 2323559874 QRVKJZIZHQIJAS-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3F)c(Br)c2)c(C)c1 2323857900 AIMKQSBDMDBBGN-UHFFFAOYSA-N 439.324 6.680 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OCc1cc(C)ccc1C 2323919600 OXQVUVAMWFZOKW-UHFFFAOYSA-N 426.556 6.824 30 10 IKEE Cc1cc(O)c(CN2CCCC[C@H]2C)c2c1C(=O)C(=Cc1ccc(Br)cc1)O2 2324010206 DWPRUBNLSSQIEO-OAHLLOKOSA-N 442.353 5.454 30 10 IKEE COc1cccc(C=C2Oc3cc(OCCCc4ccccc4)cc(C)c3C2=O)c1OC 2324269524 OBCAVYODBKUIRE-UHFFFAOYSA-N 430.500 5.640 30 10 IKEE Cc1cc(OCc2cccc3ccccc23)cc2c1C(=O)C(=Cc1cccc(Cl)c1)O2 2325272664 YKZRRXQSSQHDJK-UHFFFAOYSA-N 426.899 6.997 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(C)nnc1SCc1cccc2ccccc12 2325631769 YAYRAWZAGRKMNU-UHFFFAOYSA-N 438.556 6.076 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2c(F)cccc2Cl)C3=O)cc1 2325715017 PDMGJJYKTWGLBS-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1OC(=O)Cc1ccc(C)c(C)c1 2325724877 PWHUTCIGKVRXLR-UHFFFAOYSA-N 436.454 5.634 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1OC(=O)c1ccccn1 2325736842 SPENHULXACLDCJ-UHFFFAOYSA-N 428.271 5.512 30 10 IKEE Cc1ccccc1CCC(=O)Oc1cccc(C=CC(=O)c2ccc3c(c2)OCCO3)c1 2325745706 PCMXCFXRBLXDFA-UHFFFAOYSA-N 428.484 5.201 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)c3ccc(F)cc3)c2)cc1C(C)C 2325754000 UWSXISKKHPGXGR-UHFFFAOYSA-N 432.491 6.381 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1cccc(OCC)c1O 2326417741 KIXBMLCCFUJYGV-UHFFFAOYSA-N 438.597 5.516 30 10 IKEE CCCOc1ccc(C=Nn2c(CCc3cccc4ccccc34)nnc2SC)cc1 2326567519 MSRKAAOIMYYKLV-UHFFFAOYSA-N 430.577 5.609 30 10 IKEE CCCc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2cccnc2)cc1 2327365891 ZFSUBDOXGKPNND-UHFFFAOYSA-N 443.576 5.379 30 10 IKEE CSc1nnc(COc2ccccc2Cl)n1N=Cc1ccc(Cl)c(Cl)c1 2327601388 MEDCWFHAVJZYHY-UHFFFAOYSA-N 427.744 5.421 30 10 IKEE CCCCC1CCC(c2nnc(SC)n2N=Cc2c(Cl)cccc2Cl)CC1 2328106759 DQISLTBKVLPEBH-UHFFFAOYSA-N 425.429 6.653 30 10 IKEE Fc1ccc(Cc2nnc(SCc3ccccc3Cl)n2N=Cc2ccc[nH]2)cc1 2329844106 LOBJVLYYCIXHNK-UHFFFAOYSA-N 425.920 5.164 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2N=Cc2cccn2C)cc1 2330022098 YHCKUOPSDDEFKT-UHFFFAOYSA-N 435.984 5.344 30 10 IKEE CCc1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2[C@@H](C)c2ccccc2)cc1 2330073880 ZVZZSRDKJGIYMK-NRFANRHFSA-N 440.616 6.475 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2cccc(Cl)c2)n1N=Cc1cccnc1 2330135500 BCPTZGMPBXBJJC-KRWDZBQOSA-N 433.968 5.653 30 10 IKEE CC(C)(C)C1CCC(OC(=O)CON=C(c2ccc(-c3ccccc3)cc2)C2CC2)CC1 2330316536 FGNUTKGBISBJOK-UHFFFAOYSA-N 433.592 6.632 30 10 IKEE CCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccc3ccccc3c2)cc1OC 2330670885 VYJZMORLIJIMCC-UHFFFAOYSA-N 439.305 5.822 30 10 IKEE Clc1ccc(CSc2nnc([C@H]3CCCO3)n2N=Cc2cccc(Cl)c2)cc1 2330990108 JIVDICUAQFOFIW-GOSISDBHSA-N 433.364 5.611 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)cc1)c1ccc([N+](=O)[O-])cc1 2331018205 KCGVDUNVMJZUHN-FCHUYYIVSA-N 447.874 5.853 30 10 IKEE Clc1ccc(CSc2nnc(C3CCCC3)n2N=Cc2ccccn2)cc1Cl 2331092935 BHEJSGQMIVRGQF-UHFFFAOYSA-N 432.380 5.812 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 2331149636 LYXSBKUDMLOJPH-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)CC(C)(C)C 2331226602 XEGXGZHYZUFPDP-UHFFFAOYSA-N 428.956 6.593 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3F)c(OCC)c2)cc1 2331308953 GRNVJVYYVKUFPY-UHFFFAOYSA-N 448.490 6.129 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2Cl)cc1 2331320027 CRJPVEJCBUODBC-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1ccc(CC)cc1 2331373239 POYYELLXRUBZMU-UHFFFAOYSA-N 444.527 6.080 30 10 IKEE Cc1ccc(O)c(C=Nn2c(CC(C)C)nnc2SCc2cccc3ccccc23)c1 2331464174 HWLHOSGYSRMTGY-UHFFFAOYSA-N 430.577 5.818 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(F)c2)cc(OC)c1OC(=O)c1ccccc1 2331464418 MBHPTGHRZQXXQA-UHFFFAOYSA-N 446.474 5.687 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(Cl)c3)c(Cl)c2)cc1 2331496389 RMDYMQGYWOXXOI-UHFFFAOYSA-N 439.338 7.232 30 10 IKEE O=C(COc1ccc(Cl)cc1)Oc1ccc(C=CC(=O)c2ccc(F)cc2)cc1Cl 2331523054 WYVPCWDITJXUOY-UHFFFAOYSA-N 445.273 6.013 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(OCC(C)C)cc1 2331540112 IKRLNYOJQHZGSX-UHFFFAOYSA-N 448.490 5.984 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc3c(c2)OCO3)c(Cl)c1)c1ccc(F)c(F)c1 2331557577 MMZWOJSVXCLVNO-UHFFFAOYSA-N 442.801 5.462 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3)c(Cl)c2)c1C 2331646611 KMSRTJIHGVPFTJ-UHFFFAOYSA-N 446.974 7.008 30 10 IKEE Cc1ccccc1CSc1nnc(C(C)C)n1N=Cc1ccc(Br)cc1 2331673900 BOJOXGUVYDYOJH-UHFFFAOYSA-N 429.387 5.647 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@H](N)C#Cc2ccccc2Br)c(Cl)c1 2335951053 HXJVEPLZFKIZSQ-GOSISDBHSA-N 435.749 5.501 30 10 IKEE CCC[C@@](C)(COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339586821 LGYHHBSEWSLSAY-DEOSSOPVSA-N 446.397 5.189 30 10 IKEE C=C[C@](C)(CNC(C)(C)C)Cc1ccc(I)c(Br)c1 2349923846 UAVBIEWZWLPUSC-INIZCTEOSA-N 436.175 5.177 30 10 IKEE CC1(C)C[C@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CN(Cc2ccccc2)C1 2365060531 HVFFONBAMCKACS-NSFRLNINSA-N 447.432 5.439 30 10 IKEE CCCN[C@H](C#C[C@H]1CC1(C)C)c1cc(Br)ccc1I 2365094610 YCERDJJTUOTXFY-BLLLJJGKSA-N 446.170 5.144 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H](Nc2ccc(Br)cc2C#N)[C@H]1C(F)(F)F 2370063728 IUUFSTOMKVORCU-GJZGRUSLSA-N 448.283 5.063 30 10 IKEE C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C 5358721 FLFAKBJFVNSCHC-HFOFPBCXSA-N 428.701 6.750 30 10 IKEE C=CCn1c(SCCOc2cccc(C)c2)nc2scc(-c3ccc(C)cc3)c2c1=O 8950552 KUODRZRVELKYBM-UHFFFAOYSA-N 448.613 6.099 30 10 IKEE C=C(C)COc1ccccc1NC(=O)c1ccc(OC[C@H]2CCCO2)c(Br)c1 9925715 RAQVYMUZKJZBHP-QGZVFWFLSA-N 446.341 5.214 30 10 IKEE CCOc1cc([C@H]2C3=C(C[C@H](c4ccccc4O)CC3=O)Nc3onc(C)c32)ccc1OC 21349720 QBUAXCKLUMGEGR-UPCLLVRISA-N 446.503 5.054 30 10 IKEE CCOc1ccc(C(=O)/N=C(/NCCc2c[nH]c3ccccc23)Nc2ccccc2F)cc1 32943431 XZTROISYUPPRHF-UHFFFAOYSA-N 444.510 5.146 30 10 IKEE C[C@H]1Oc2ccccc2C=C1/C=C1/Oc2cc(OCc3ccc(F)cc3Cl)ccc2C1=O 33531470 HCJVAUWBSSUGAA-BJOYXVINSA-N 448.877 6.382 30 10 IKEE C/C(=C1/S/C(=N/c2cccnc2Cl)N(c2ccccc2)C1=O)c1ccc(C)c(C)c1 39864085 XCDPASYMIMHMHO-DNBRKGDOSA-N 433.964 6.551 30 10 IKEE C=CCc1ccc(OCCCCn2c([C@H](C)NC(=O)C(=C)C)nc3ccccc32)c(OC)c1 40191201 JUYCFXSKYCMEAB-FQEVSTJZSA-N 447.579 5.386 30 10 IKEE C=CCc1ccccc1OCCn1c(CCCCCNC(=O)/C=C/C)nc2ccccc21 40219449 GPLBIFZSRQXCJP-YIXHJXPBSA-N 431.580 5.249 30 10 IKEE COc1cccc(COc2ccc3c(c2C)O/C(=C\c2cccc(OC)c2OC)C3=O)c1 41503942 IXGSJSUHNLMLGW-UCQKPKSFSA-N 432.472 5.216 30 10 IKEE CC(C)c1nnc([C@H](C)Sc2n[nH]c(N/N=C/c3cccc(Oc4ccccc4)c3)n2)o1 59878490 LLIBMMIJVIZAFQ-LUILSVGHSA-N 449.540 5.403 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2cccc(OCCOC)c2)cc1 100273536 ITQSXQZIIIMXPY-UHFFFAOYSA-N 444.597 5.188 30 10 IKEE Cc1ccc(/C(COc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2C)=N\O)cc1 100552699 TTXILKDUFBKGQG-COOPMVRXSA-N 427.500 5.566 30 10 IKEE CCCCCCCOc1c(Cl)cc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1Cl 101138294 RYNRWRJLOKVHLL-UHFFFAOYSA-N 425.312 6.503 30 10 IKEE C/C=C\CS/C(=N\S(=O)(=O)c1ccc([N+](=O)[O-])cc1)Sc1ccc(Cl)cc1 102452923 UYJRVIXDNKROQI-GBJMYIJUSA-N 442.971 5.395 30 10 IKEE Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)O/C(=C/c2ccc(C(C)C)cc2)C3=O)cc1 102720997 GEWVICORMDHARV-ZVHZXABRSA-N 434.513 5.502 30 10 IKEE O=C1C(=O)N(c2cccc(Br)c2)[C@@H](c2ccccc2)/C1=C(/O)c1ccccc1 102904696 RTKMTWAHZZSDBE-LCPUNJGISA-N 434.289 5.075 30 10 IKEE CCc1ccc(/C=C2/Oc3cc(OC(=O)c4c(OC)cccc4OC)ccc3C2=O)cc1 103018876 PXNVXVSYDJWJDI-OEAKJJBVSA-N 430.456 5.102 30 10 IKEE CCCCCCCC/C=C\CCCCCCCCOC1COC(c2ccccc2)OC1 118333374 CGMMVQPBUJBHBM-KTKRTIGZSA-N 430.673 8.155 30 10 IKEE in-vitro COc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccc(F)cc2)c1 169929403 JFOWJRAAYIHHCI-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc(C)c(C)c2)=C(O)C(=O)N1c1ccc(C)cc1 169944604 MSZYLTFLYSFDTM-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@H]1c1ccccc1OC 169945024 KTTCRLUQEHKBLQ-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccccn2)cc1Cl 169996620 NEOXTCISXVCIJA-QHCPKHFHSA-N 432.907 5.145 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2ccccc2)s1 170052496 DGJINHGWYGJRGO-LJQANCHMSA-N 438.936 5.505 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccc(F)cc2)c1 170063908 VBRRDQWMHKPLET-JOCHJYFZSA-N 437.417 5.504 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2C)cc1 170089237 BIOQPKXBKZTERX-HSZRJFAPSA-N 431.463 5.316 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@@H]1c1cccc(OC)c1 170120397 GTFLSQKQWCQNFA-QHCPKHFHSA-N 437.536 5.206 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccc(C)c2)cc1 170139149 DPXNJHINPGFLCW-JOCHJYFZSA-N 433.529 5.234 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2Cc2ccccn2)c1 170144390 QMBUKQJSJMNICG-VWLOTQADSA-N 434.495 5.322 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(C4CCCCC4)[C@@H]3c3cccc(C)c3)oc12 170145524 BLDZJZGOUAMYOC-HSZRJFAPSA-N 445.515 5.661 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@@H]2c2cccc(C)c2)cc1 170146816 IOIBNEKZHWFBMF-XMMPIXPASA-N 435.564 5.942 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@H]1c1cccs1 170160841 IXIFTBLZVNGNDN-QFIPXVFZSA-N 449.528 5.165 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccccc1 170234210 KSSHIXOGSFMOPD-HSZRJFAPSA-N 445.490 5.230 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccc(F)cc2)cc1 170239823 MVKGECBZMZTKBE-VWLOTQADSA-N 441.502 5.796 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2C)cc1 170269915 ZIROVANGAHXZCH-JOCHJYFZSA-N 433.529 5.234 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2C)ccc1Cl 170275292 JWMCCPLYHNFFGN-JOCHJYFZSA-N 439.939 5.568 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccco2)cc1C(C)C 170286152 ANKMDBRQWOIOTO-HSZRJFAPSA-N 431.488 5.585 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2Cc2cccs2)o1 170298024 AVOISQAWESOAQG-QFIPXVFZSA-N 433.529 5.307 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccc(C)o2)cc1C 170302257 IWMMCTBBYRWRCU-DEOSSOPVSA-N 445.515 5.613 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(O)c(Cl)c2)cc1C 170368230 BAWJYSKVGMGWQM-FQEVSTJZSA-N 439.920 5.507 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1)c1ccccc1 170421954 OIQULWBJZUGLLC-JOCHJYFZSA-N 435.882 5.300 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 170422306 FIXWYYZBEHNSSR-VWLOTQADSA-N 441.527 5.597 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cc(C)cc(C)c2)cc1 170452630 HSONKZWJFGDEFT-HSZRJFAPSA-N 434.580 5.665 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]1c1ccc(C(C)(C)C)cc1 170468790 LMNVGSJOAPCYFH-QHCPKHFHSA-N 439.983 6.461 30 10 IKEE CCCCCCCCCCNC(=O)c1c(-c2ccccc2)c(-c2ccccc2)n[nH]c1=O 170562189 NJNJYODYFQJZKB-UHFFFAOYSA-N 431.580 5.974 30 10 IKEE CCCCCCCCCn1c(CCCNC(=O)/C=C\c2ccccc2)nc2ccccc21 207845307 VHVMCGKQWUDWIN-MRCUWXFGSA-N 431.624 6.549 30 10 IKEE CC(/C=C/c1ccccc1)=N\Nc1nnc(SCCCCOC(=O)c2ccccc2)[nH]1 253564068 GCUIHMVLCHDFMD-IKSSETCMSA-N 435.553 5.035 30 10 IKEE CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(C)[C@H]3CC[C@@]12C 253618019 LBERVHLCXUMDOT-QWQRAZBHSA-N 442.684 7.571 30 10 IKEE C(=Nc1cccc2c(N=Cc3ccc4ccccc4c3)cccc12)c1ccc2ccccc2c1 254521025 QJUOZEIMYHONIX-UHFFFAOYSA-N 434.542 8.647 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)ccc1Br)NC 407860763 GUQMUGJXJTYCSN-SJORKVTESA-N 431.802 5.093 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccc(Cl)c2)cc1OC 526607242 UEMHDEKDUMBUGD-QHCPKHFHSA-N 446.890 5.286 30 10 IKEE N#Cc1ccccc1NC1=C(Sc2ccc(Cl)cc2)C(=O)N(c2ccccc2)C1=O 526663876 BRBBIILJBBUXAP-UHFFFAOYSA-N 431.904 5.201 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1c(O)ccc2ccccc12 526811071 AINZRPGYUWIABD-QFEZKATASA-N 436.968 5.917 30 10 IKEE CCCOc1ccc(/C=N\n2cnnc2SCc2cccc3ccccc23)cc1OC 526820605 WEEZKUISGKKBCH-YSMPRRRNSA-N 432.549 5.403 30 10 IKEE CCOc1ccc2ccccc2c1/C=N\n1c(CC)nnc1SCc1cccc(F)c1 526825019 FSRWGDIKWWYGEG-YSMPRRRNSA-N 434.540 5.706 30 10 IKEE COc1ccccc1CN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586143679 ZUZICPONFBOEAW-UHFFFAOYSA-N 448.588 5.255 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc(C(=O)NC3CCCCCCCCCCC3)c2)c1 586577165 JTHHXOIKMKHWNL-UHFFFAOYSA-N 431.580 6.214 30 10 IKEE N#Cc1ccccc1NC(=O)Nc1cccc(C(=O)Nc2cccc(Br)c2)c1 586731899 QUCPKBJRGAZPNF-UHFFFAOYSA-N 435.281 5.217 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1ccc(O)c(Cl)c1 698451703 NKLAYASDVNSMAR-MRXNPFEDSA-N 437.721 5.814 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 724093896 VKOWRXHXZHKQNX-DFBJGRDBSA-N 449.636 5.924 30 10 IKEE COc1ccc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2cccc(C)c2)cc1Cl 762441600 XKLRSNLJRWGOLT-UHFFFAOYSA-O 436.944 5.140 30 10 IKEE N#Cc1c(-c2c(F)c(F)c(F)c(F)c2F)cncc1-c1c(F)c(F)c(F)c(F)c1F 1848358664 SUNIHBJABXADIX-UHFFFAOYSA-N 436.208 5.678 30 10 IKEE Cc1ccc(-n2cc(/C=N\NC(=S)Nc3ccc(F)cc3)c(-c3ccccc3)n2)cc1C 1857808154 RKLBEDWKIKUWAP-DICXZTSXSA-N 443.551 5.616 30 10 IKEE Cc1ccc(C)c(NC(=O)Oc2cccc3c(NC(=O)c4cccc(C#N)c4)cccc23)c1 1858779749 CBDAEVWZHOHYTO-UHFFFAOYSA-N 435.483 6.192 30 10 IKEE Cc1ccc(NC(=O)Nc2ncccc2OCc2ccc(C#N)cc2)c(Br)c1 1858866677 VRBOOLOLNWFYFR-UHFFFAOYSA-N 437.297 5.247 30 10 IKEE N#Cc1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)n(Cc2ccccc2F)n1 1859388438 GJVACUNRADLPLJ-UHFFFAOYSA-N 430.870 5.515 30 10 IKEE CCc1cccc(CC)c1NC(=O)[C@@H](C)Oc1cccc(NC(=O)c2cccc(C#N)c2)c1 1860133246 OTVVZWFDPJVSRR-GOSISDBHSA-N 441.531 5.341 30 10 IKEE C[C@@H]1CCc2c(sc(NC(=O)CSc3nc(-c4ccc(N)cc4)cs3)c2C#N)C1 1860820600 VXGMHMJAUKQZEP-GFCCVEGCSA-N 440.619 5.181 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC(C)C)NC(=O)CCc1ccc(Cl)cc1 1861109430 OSPCDKHGFUGWSO-QHCPKHFHSA-N 437.068 6.060 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@@H]1c1ccccc1F 1862390666 JKAAEYSFEYTQFE-DEOSSOPVSA-N 437.555 6.327 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2cccc(C)c2)cc1C 1862400907 PGHGMDIAVGMLEG-DFBJGRDBSA-N 441.527 5.652 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cccc2ccccc12)c1ccc(F)cc1F 1862420390 JXHVGRIFHGIOFG-DEOSSOPVSA-N 447.481 6.029 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 1862448068 FAFLYONTFCVEPM-FQEVSTJZSA-N 440.883 5.159 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1c(Cl)cccc1Cl 1862452203 XDFLVLOJNFJCGD-BBATYDOGSA-N 438.738 6.024 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc2cc[nH]c2c1 1862464143 PMMNYSUZLMZAKP-OAQYLSRUSA-N 442.437 5.354 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccccc1C 1862507758 SUANJBBFOFQULH-GBXCKJPGSA-N 437.555 6.380 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1cccc2ccccc12 1862575188 YQNJNNJJXOBXAI-UPCLLVRISA-N 445.515 5.234 30 10 IKEE CCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(C)cc1 1862589478 LTZDXSRKZLERDA-RUZDIDTESA-N 449.591 6.420 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2cccc(F)c2)cc1 1862591372 XIQDCNGYHPOGFK-UPCLLVRISA-N 445.490 5.433 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1c(F)cccc1Cl 1862592921 NHLJQNXSLNJGPY-LZHZSBQWSA-N 443.902 5.342 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc2cc[nH]c2c1 1862596534 UWEASQJPHWAGHZ-XMMPIXPASA-N 446.547 5.812 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1cc(Cl)cc(Cl)c1 1862598338 QPRMWFJYQYRDAY-LJQANCHMSA-N 434.319 5.323 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1ccc(Cl)cc1 1862639946 AZWKGTHHHHLPER-FQEVSTJZSA-N 431.891 5.256 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc(Cl)c1 1862654603 ZTVSLAGVROQCNW-HSZRJFAPSA-N 433.935 6.262 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccccc1 1862659893 FOGAGLVFFXJOTF-VWLOTQADSA-N 441.527 5.597 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2cccc(F)c2)c1 1862702778 LZQCLRCCEIJYJB-QMHKHESXSA-N 431.463 5.174 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(F)cc1F 1862711923 FWZKIDUJDVHVGV-QHCPKHFHSA-N 435.470 5.887 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1 1862713189 JCWPZZDKMLQTEB-MQVPCNEGSA-N 425.528 5.997 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccc(Cl)c1 1862725547 LPFUPLFVMBLBIB-QHCPKHFHSA-N 429.903 5.771 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(C(C)C)cc3)C2=O)c1 1863029433 OBTVVCYWUUTHCL-UHFFFAOYSA-N 435.527 5.695 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(F)cc3Cl)C2=O)c1 1863034387 LRFSLJYUIPOFCF-UHFFFAOYSA-N 445.881 5.364 30 10 IKEE COc1ccccc1C1=C(Nc2cccc(C#N)c2)C(=O)N(c2cccc3ccccc23)C1=O 1863057119 XRKACNJHHCEXFG-UHFFFAOYSA-N 445.478 5.117 30 10 IKEE Cc1cc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1F 1863092795 OCYRZSGCAKFJRL-UHFFFAOYSA-N 445.881 5.364 30 10 IKEE Cc1cc(C2=C(Nc3ccc(F)cc3Cl)C(=O)N(c3cccc(C#N)c3)C2=O)ccc1F 1863094935 IKAZPJFSVVOAHT-UHFFFAOYSA-N 449.844 5.195 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc3ccccc23)=C(c2ccc(C)cc2)C1=O 1863266505 XPZJEPNKQGDBNT-UHFFFAOYSA-N 440.587 6.701 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(OCc3ccccc3)cc2)=C(c2cc(C)ccc2C)C1=O 1863399069 MMFHQTKAKYGUGQ-UHFFFAOYSA-N 438.527 5.260 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC2CC2)=C(c2ccc(Br)cc2)C1=O 1863557715 ZDGDIJKVFQVCQW-UHFFFAOYSA-N 447.417 5.422 30 10 IKEE CCCCCCCCCCNC1=C(c2cc(Cl)ccc2Cl)C(=O)N(C(C)C)C1=O 1863725611 YQCCNSCUJJOHKQ-UHFFFAOYSA-N 439.427 6.212 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1cc(Cl)cc(Cl)c1 1866029883 NEZHZPKMBUDLTQ-UHFFFAOYSA-N 428.488 9.193 30 10 IKEE N#Cc1nnn(-c2ccc(C(F)(F)F)cc2)c1NC(=O)c1ccc(-c2ccccc2)cc1 1870139521 VJXCFMIVYZLCOT-UHFFFAOYSA-N 433.393 5.077 30 10 IKEE CCCCCCCOc1cn(CCc2cnc[nH]2)c(CN(CCCC)CCCC)cc1=O 1870412554 CAIAJRAOPQNGDA-UHFFFAOYSA-N 444.664 5.566 30 10 IKEE CCCCCCCOc1cn(CCCCCO)c(CNc2cc(C)cc(C)c2)cc1=O 1870838005 JYSOONADGVBPAK-UHFFFAOYSA-N 428.617 5.589 30 10 IKEE C=CCn1cc(OCCCC)c(=O)cc1CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1871111656 RVWGSRVYCHDQTI-UHFFFAOYSA-N 448.407 5.863 30 10 IKEE CCCCCCCCn1cc(OCCCO)c(=O)cc1CNc1cc(Cl)ccc1C 1871266719 MDZKURRCFZHYTD-UHFFFAOYSA-N 435.008 5.544 30 10 IKEE Cc1cc(OC(=O)/C=C/c2ccc(C(C)C)cc2)cc2c1C(=O)/C(=C/c1ccccc1F)O2 1871380117 XGBKOOQYCSQMSM-GRNXZKBVSA-N 442.486 6.493 30 10 IKEE COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OCCCc3ccccc3)ccc2C1=O 1871399981 YWTSRIOGQMIEQO-YSMPRRRNSA-N 446.499 5.340 30 10 IKEE Cc1cccc(OCCCOc2ccc3c(c2C)O/C(=C\c2cccc(Cl)c2)C3=O)c1 1871406314 RNBCUKXHPORMPM-JLPGSUDCSA-N 434.919 6.421 30 10 IKEE Cc1cc(OCCOc2ccc(Cl)cc2)cc2c1C(=O)/C(=C/c1ccc(Cl)cc1)O2 1871412825 GLINDBPYIJLMQQ-XKZIYDEJSA-N 441.310 6.376 30 10 IKEE Cc1ccc(CCOc2ccc3c(c2C)O/C(=C\c2ccc(Cl)c(Cl)c2)C3=O)cc1 1871437499 BVAGDKDXZXRKHB-UCQKPKSFSA-N 439.338 6.848 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O 1871440401 MYIXCRNBIVJPLU-UUYOSTAYSA-N 433.891 5.591 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(F)cc2)[nH]c(N(CC)CCCC)n1 1871516424 WXULIPJAORKULA-UHFFFAOYSA-N 444.643 6.355 30 10 IKEE CCCCCCCCCCN=c1nc(N2CCCC2)[nH]c(=Nc2ccc3cc[nH]c3c2)[nH]1 1871589508 VMOSGWGKCYWQQW-UHFFFAOYSA-N 435.620 5.093 30 10 IKEE C=CCN([C@@H](C(=O)Nc1cc(C)ccc1C)C(C)C)S(=O)(=O)c1c(C)cc(C)cc1C 1872549096 AGULMCHRRAMMCZ-HSZRJFAPSA-N 442.625 5.069 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(Cl)cc1 1872557015 UULLQNVRZXMNGT-QFIPXVFZSA-N 449.016 5.331 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(OCC)cc3)n2)cc1 1872762288 IMWJABWYWMVWMS-LJJIPZOBSA-N 430.573 6.441 30 10 IKEE CC(C)c1ccc(-c2csc([C@@H](C#N)C(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1 1872776593 SPAJZGCYRMKNDZ-KRWDZBQOSA-N 425.897 5.985 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@H](C#N)C(=O)CCOc3ccccc3)n2)c1 1872781150 PLJMTOMTFSODJC-HXUWFJFHSA-N 436.533 5.253 30 10 IKEE C=CCN1C(=O)C(NCCCCCCCC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168918 PSMIRGNGYQZGJU-UHFFFAOYSA-N 433.596 5.310 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(C(C)C)cc1)n2CCC 1873619607 JAEMYBUKPGRWJF-UHFFFAOYSA-N 449.643 6.989 30 10 IKEE CSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1c(F)cccc1Cl 1874211544 HXMWSXGQYDDDPU-UFFVCSGVSA-N 439.741 5.028 30 10 IKEE CCCSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1ccc(OC)cc1 1874223934 KQRKZYMEPOJSKH-XIEYBQDHSA-N 438.597 5.245 30 10 IKEE CCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1c(F)cccc1Cl 1874230620 SPOUQIDWUBPFEO-AUEPDCJTSA-N 439.343 5.606 30 10 IKEE C=C(C)CSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccc(CC)cc1 1874255215 PTIOULGNPBLCQE-VULFUBBASA-N 434.609 5.895 30 10 IKEE Clc1ccccc1CCc1nnc(SCc2ccccc2)n1/N=C/c1ccncc1 1874279052 QNQYOKWGOICKQJ-WGOQTCKBSA-N 433.968 5.286 30 10 IKEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc(C(C)C)cc1 1874283565 OAWKOYRGILZBHT-PCLIKHOPSA-N 425.001 6.000 30 10 IKEE CCCOc1ccc(/C=N/n2c(COc3ccc(OC)cc3)nnc2SCCC)cc1 1874293751 RZIOFDNMRCZBJJ-LFVJCYFKSA-N 440.569 5.039 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3C)n2/N=C/c2ccccc2)c1 1874362573 LLRXIUHVYAQEOB-MTDXEUNCSA-N 440.616 6.163 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(O)cc1O 1874393098 CRBBBZJJTBRSAR-HEOQCTJZSA-N 448.523 5.155 30 10 IKEE Cc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccc(C)cc2)cc1 1874396188 BXEVCQHEEMFUMW-OVVQPSECSA-N 426.589 5.855 30 10 IKEE CCCOc1ccccc1/C=N/n1c(CC(C)(C)C)nnc1SCc1ccc(C)cc1 1874435697 SKXDWVJYLQJQGF-YZSQISJMSA-N 436.625 6.138 30 10 IKEE Clc1ccccc1CSc1nnc([C@H]2CCCO2)n1/N=C/c1c[nH]c2ccccc12 1874446096 SMKFBGBKWOYQAT-ORBAKXMTSA-N 437.956 5.439 30 10 IKEE O=C(O)c1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CCCC2)cc1 1874457438 PBEAWEJOBVKBPX-ZMOGYAJESA-N 440.956 5.462 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2-c2ccco2)cc1 1874467958 KIJULKWKTOTZHP-BHGWPJFGSA-N 447.322 6.159 30 10 IKEE Cc1nnc(SCc2ccc(F)cc2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874530036 NRNMLSXNHVHVCB-CVKSISIWSA-N 432.524 5.479 30 10 IKEE CCc1ccccc1NC(=O)COc1c(/C=C/C(=O)c2ccc(C)cc2C)cccc1OC 1874578671 ALUOBTZPTWBEPG-JQIJEIRASA-N 443.543 5.788 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccccc1OCc1ccc(Cl)cc1Cl 1874581433 NLMBTZSZHWHTAA-PKNBQFBNSA-N 427.327 6.786 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2C)cc1F 1874582402 MDRCNMPNIDQCJG-FMIVXFBMSA-N 433.479 5.365 30 10 IKEE CCN(CC)C(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1c(C)c(C)cc(C)c1C 1874587162 YLWISZRAJNREOL-CCEZHUSRSA-N 443.587 6.217 30 10 IKEE CCc1ccccc1NC(=O)COc1cccc(/C=C/C(=O)c2ccc(OC)c(OC)c2)c1 1874593850 FBPQADOYIUEVEM-WYMLVPIESA-N 445.515 5.180 30 10 IKEE CCc1ccc(NC(=O)COc2cccc(/C=C/C(=O)c3ccc(OC)cc3OC)c2)cc1 1874598915 MAGURLBIGTYOKJ-XNTDXEJSSA-N 445.515 5.180 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Br)cc2)ccc1OCc1ccccc1 1874608003 RPXQCUQCTBBYKD-RIYZIHGNSA-N 437.333 6.323 30 10 IKEE COC(=O)COc1ccc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)cc1Cl 1874628765 VECMOXRNBMAMPF-HWKANZROSA-N 429.683 5.103 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1ccc(C)cc1 1874659369 ACIIXNMSJSBFAJ-AREMUKBSSA-N 447.623 5.223 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2cccc(/C=C/C(=O)c3cccc(Br)c3)c2)c1 1874697955 SONQFMBMIVXKNF-VAWYXSNFSA-N 449.344 6.110 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc(F)cc3F)ccc2OC)cc1 1874698678 JASQMFZWKPBAAE-UUILKARUSA-N 438.426 5.487 30 10 IKEE C=CCN(CC=C)CCC(=O)c1ccc(NC(=O)Cc2cc(Cl)ccc2Cl)cc1 1874750025 GBNPFOAVDVBSFZ-UHFFFAOYSA-N 431.363 5.421 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1 1875100119 ORHJEVBVHNDBKE-WLRTZDKTSA-N 425.311 6.671 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)c1cccc(F)c1 1875131773 NDIZHEPRVWVCCZ-PKNBQFBNSA-N 434.463 5.575 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)CCc1ccccc1C 1875158568 BQKUYAZNJKNIES-OVCLIPMQSA-N 432.491 5.967 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)cc2)cc1OC 1875168718 RFRYOZGIKGWTDV-UKTHLTGXSA-N 444.527 6.053 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)CCCSC)c(Cl)c1 1875170939 XMHALTNCGOFWSC-VQHVLOKHSA-N 432.969 5.910 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N1C[C@H](C)C[C@@H](C)C1)n2C 1875197253 LNWOLGGIYOJMMW-WOJBJXKFSA-N 427.637 5.639 30 10 IKEE C=C(C)CC[C@H](NCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875652908 XGGDGFQVUFZJFD-LITSAYRRSA-N 445.603 6.212 30 10 IKEE COc1cc([C@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)ccc1Br 1883182901 YVBSKNUNFFEAPS-SFHVURJKSA-N 431.330 5.460 30 10 IKEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)NC3CCCCCCCCCCC3)n[nH]2)c1C 1890051813 BCFLNKMPJNVBPW-UHFFFAOYSA-N 425.621 5.869 30 10 IKEE N#Cc1csc([C@H](CCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 1951962117 MFCRWMUXXQNXDP-NRFANRHFSA-N 432.501 5.064 30 10 IKEE C=CCC[C@@H](C)[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NC 1996481744 PNXJIYXUBIQCBU-GGAORHGYSA-N 429.649 5.126 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)cc1 2013403153 AALMOTSKPWMXDG-HOYKHHGWSA-N 429.561 5.322 30 10 IKEE CCCCC#CC[C@H](NC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2024381128 VTLJTSQWQVMGCQ-JYFHCDHNSA-N 428.617 5.002 30 10 IKEE C=CCCCCCCCCC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2026314933 XPMRGMZHXYDDCX-QPPBQGQZSA-N 431.617 6.361 30 10 IKEE C=CCC1([C@H](N)c2c(Cl)ccc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2058347061 VHVFEEIYKFIPJS-OAHLLOKOSA-N 433.749 5.055 30 10 IKEE N#C[C@H](NCc1cccs1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071260469 IHIBQRDCXWUFQT-VWLOTQADSA-N 440.568 6.261 30 10 IKEE C=C(C)[C@H](NCCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071360195 WLCVPEICUHSHMJ-WUFINQPMSA-N 431.576 5.822 30 10 IKEE Cc1ccc([C@@H](n2nc(C(C)(C)C)c(C#N)c2I)C(C)(C)C)c(C)c1 2079071051 GBJHFMHIPLVKAH-GOSISDBHSA-N 449.380 5.909 30 10 IKEE Fc1cc(C(F)(F)F)ccc1Cn1nc(Cl)c(Br)c1C(F)(F)F 2079214937 SNQZANSBLGHLDA-UHFFFAOYSA-N 425.529 5.524 30 10 IKEE COc1ccc([C@@H](C(C)C)n2nc(C(F)(F)F)c(C=NO)c2Br)c(C)c1 2079937536 VRDIIGFOKUXYBW-CQSZACIVSA-N 434.256 5.035 30 10 IKEE CCCOc1ccc([C@H](C2CCC2)n2nc(C(F)F)c(C=NO)c2Br)cc1 2080089208 VIQKQCDFNXBRME-KRWDZBQOSA-N 442.304 5.570 30 10 IKEE N#Cc1c(-c2ccccc2)nn(-c2ccc(Cl)cc2Br)c1Br 2080359406 GDRCJWGONSCRAZ-UHFFFAOYSA-N 437.522 5.589 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)C2(C#N)C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 2094884162 DIUWXLOKQGUMKD-APBVPVKBSA-N 447.579 5.526 30 10 IKEE CC(C)N(C[C@H]1CCCCN1C(=O)OC(C)(C)C)c1ccc(Br)cc1C#N 2174809989 HAVBHSZRJOONNB-GOSISDBHSA-N 436.394 5.325 30 10 IKEE CN(C(=O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1)C1(C#N)CCCCC1 2181050260 QOTZBTFZDUFHSE-UHFFFAOYSA-N 436.350 5.095 30 10 IKEE Cc1cc(C(=O)Nc2ccc(C#N)c(Br)c2)ccc1NC(=O)OC(C)(C)C 2181132229 DSJCZZXWBJHELA-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCC)c2c(C)ccc(Br)c2F)C1 2183008177 MAWBJDLYXNJRBY-GOSISDBHSA-N 441.385 5.408 30 10 IKEE CC(C)(C)OC(=O)Nc1ccccc1OCCNc1ccc(C#N)c(Br)c1 2183231562 MULYOQISBCXJRY-UHFFFAOYSA-N 432.318 5.159 30 10 IKEE CC#CCC[C@@H](NCCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237400420 OEJHZLIUQFSWOB-UXHICEINSA-N 437.422 5.057 30 10 IKEE CCN[C@H](C#Cc1ccc(Cl)cc1)c1cc(Br)c(Br)s1 2239463528 NXDFKOCRURRICJ-CYBMUJFWSA-N 433.596 5.629 30 10 IKEE C#CC(CC)(CC)NC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2243924782 LSWMXCIYWXVOCV-VWLOTQADSA-N 446.591 5.248 30 10 IKEE C=CCCC1([C@H](NCC)c2sccc2Br)CN(C(=O)OC(C)(C)C)C1 2255000170 ACKJYMINQNSFOH-MRXNPFEDSA-N 429.424 5.365 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCC[C@@]2(C)CNC(=O)OC(C)(C)C)cc1 2258805218 JLZOSSAFJOHBQS-LOSJGSFVSA-N 443.588 5.714 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N(Cc2ccccc2)Cc2cccs2)c1 2267599326 NOBJYZLQSPLFKC-UHFFFAOYSA-N 447.409 5.198 30 10 IKEE C=CCC1(COc2ncc(C)cc2Br)CCN(C(=O)OC(C)(C)C)CC1 2272227145 FVCXIWYIISKEII-UHFFFAOYSA-N 425.367 5.125 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Cl)cc1[C@@H](N)C#Cc1ccc(Br)cc1 2278799814 RVOJBZXLBSOOSN-KRWDZBQOSA-N 435.749 5.501 30 10 IKEE CC1(C)OB(c2ccc3nc(N(Cc4ccccc4)Cc4ccco4)sc3c2)OC1(C)C 2279034795 PQMCNFXHCUDFHD-UHFFFAOYSA-N 446.381 5.395 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](Nc2ccc(C#N)cc2Br)C[C@@H]2CCCC[C@@H]21 2279521390 KPBZNMUVGDBEIP-FCEWJHQRSA-N 434.378 5.301 30 10 IKEE Cc1cc(C=C2SC(=Nc3ccccc3)N(C3CCCC3)C2=O)c(C)n1-c1ccccc1 2294581450 ZXYDPQJUMBBESA-UHFFFAOYSA-N 441.600 6.641 30 10 IKEE CN[C@@H](C#Cc1cccc(Br)c1)c1cc(Cl)ccc1NC(=O)OC(C)(C)C 2296230743 WOSVQNNAGTXCQN-SFHVURJKSA-N 449.776 5.762 30 10 IKEE CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 2299174751 TZIZPOOLTOPRJQ-ROUUACIJSA-N 449.979 5.619 30 10 IKEE CN(CCCSc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2301452490 IGDLHLSBYATLDD-OUKQBFOZSA-N 434.411 5.075 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)C(C)(C)[C@@H]1CCCCN1C(=O)OC(C)(C)C 2316231649 PZJNLTHKEPKFCZ-BJKOFHAPSA-N 444.660 5.943 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(O)c(OC)c1 2318574991 XHRVQGNPKXZDFC-UHFFFAOYSA-N 430.961 5.163 30 10 IKEE Cc1c(OCc2ccccc2Cl)ccc2c1OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2321762298 RMBQZVPDSNZNBI-UHFFFAOYSA-N 432.947 7.141 30 10 IKEE Sc1nnc(-c2ccco2)n1N=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 2321912052 WPOVKELMSMXKQV-UHFFFAOYSA-N 445.331 5.595 30 10 IKEE COc1cccc(C=C2Oc3c(cc4c(c3C)OCN(CCc3ccc(C)cc3)C4)C2=O)c1 2322433414 WBPFQGWLGNYIAL-UHFFFAOYSA-N 441.527 5.323 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@H]2CC[C@H]1N(C(=O)OC(C)(C)C)C2 2322625372 IQFLRVGRCFJTQY-RQBNJVACSA-N 441.572 5.418 30 10 IKEE CCCOc1ccc(Br)cc1C=CC(=O)c1cc(Cl)c(OC)c(Cl)c1 2322969155 DXCNAYRJUQWHGS-UHFFFAOYSA-N 444.152 6.449 30 10 IKEE CCc1ccc(NC(=O)COc2cccc(C=CC(=O)c3ccc(OC)c(OC)c3)c2)cc1 2323060749 YQNMGDDZYMPXSP-UHFFFAOYSA-N 445.515 5.180 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OCc3ccc(F)cc3)c2)cc1OCCC 2323118111 ONBFUYVMFUPLND-UHFFFAOYSA-N 448.534 6.878 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc(C)c3C2=O)cc1 2323149729 KIGSJSYLRZKVQI-UHFFFAOYSA-N 445.427 5.137 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1[N+](=O)[O-] 2323328181 HIUWDEWLAGAEGJ-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE CCCOc1ccccc1C=CC(=O)Oc1cc(C)c2c(c1)OC(=Cc1ccco1)C2=O 2323342014 PJUAHNLOGVXPMI-UHFFFAOYSA-N 430.456 5.612 30 10 IKEE CC(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1 2323502990 AUIZBDFSFSYGET-UHFFFAOYSA-N 436.507 6.601 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)c4cccc(OCC(C)C)c4)c3C)C2=O)o1 2323580645 TVMIKUHDQFHCAZ-UHFFFAOYSA-N 432.472 5.767 30 10 IKEE Cc1c(OC(=O)C=Cc2ccc(-c3ccccc3)cc2)ccc2c1OC(=Cc1ccco1)C2=O 2323648132 BGHJRSDLIZVFLN-UHFFFAOYSA-N 448.474 6.490 30 10 IKEE CCCOc1ccc(C=NNc2nc(-c3ccc(OC)cc3OC)cs2)cc1OCC 2323850893 UVOUBMBYTCSYJM-UHFFFAOYSA-N 441.553 5.461 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc(F)c2)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 2323887714 VEQOYWYGEFYOJQ-UHFFFAOYSA-N 446.261 6.516 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2OC)cc(OC)c1OCc1cccc(C)c1 2324010142 PWXPLWPAKNEXHJ-UHFFFAOYSA-N 442.555 6.524 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OCc1cc(C)ccc1C 2324355962 IQYUWZXAOBGIMP-UHFFFAOYSA-N 442.599 7.411 30 10 IKEE N#C[C@@H](C(=O)C=Cc1ccccc1Cl)c1nc(-c2ccc(Cl)cc2Cl)cs1 2324395090 WRYDDDFXGVIRDF-HNNXBMFYSA-N 433.747 6.660 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccc(C)cc1 2324456122 YTRNLBIWSNKJIN-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE Cc1cc(O[C@H](C)C(=O)Nc2ccc(C#N)cc2)cc2c1C(=O)C(=Cc1ccc(F)cc1)O2 2325302023 IRPFGWVTSSIZMQ-MRXNPFEDSA-N 442.446 5.028 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O)Nc1ccc(Cl)cc1 2325513219 UQWNRHHBZFSZML-UHFFFAOYSA-N 440.282 5.627 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(OC)c(O)c1 2325603757 BYMPRHVJONZPSL-UHFFFAOYSA-N 437.352 5.036 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1OC(=O)c1cccs1 2325715816 SPLJARHUMUMTTB-UHFFFAOYSA-N 443.318 5.635 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1OC(=O)CCOc1ccccc1 2325727596 BNDKUASHRKEJKR-UHFFFAOYSA-N 436.891 5.619 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1C 2325770933 ISRIXYLYNRVQCU-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE CSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1c(F)cccc1Cl 2325907032 KGPMFEXIUCUJJY-UHFFFAOYSA-N 445.734 5.561 30 10 IKEE CCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccccc1OC(C)C 2327540873 CONQHBORMGHUEU-UHFFFAOYSA-N 430.961 5.292 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccccc3Cl)n2N=Cc2ccncc2)c1 2327622715 ZGBUJIXOLDBCPC-UHFFFAOYSA-N 449.967 5.388 30 10 IKEE Cc1ccccc1CSc1nnc(COc2c(C)cccc2C)n1N=Cc1ccccc1 2328551078 AZEXTXQVQLNJCJ-UHFFFAOYSA-N 442.588 5.957 30 10 IKEE C=CCSc1nnc(COc2c(C)cccc2C)n1N=Cc1ccc(OCCC)cc1 2328559486 YZDHZCKWSZIRKN-UHFFFAOYSA-N 436.581 5.423 30 10 IKEE Cc1cccc(OCc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccccc2)c1C 2328826130 CMLYFMGKOYPDIN-UHFFFAOYSA-N 446.551 5.788 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2F)n1N=Cc1cccn1C 2329487345 OIPLWOPJEDGBST-UHFFFAOYSA-N 433.556 5.024 30 10 IKEE COc1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2[C@@H](C)c2ccccc2)cc1 2330078540 NZJFFCNOBFWDMW-SFHVURJKSA-N 446.551 5.752 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2ccccc2)n1N=Cc1cccc(O)c1 2330172971 RIPIIXBJTMGBJL-UHFFFAOYSA-N 428.561 5.252 30 10 IKEE Oc1ccccc1C=Nn1c(CC2CCCCC2)nnc1SCc1ccccc1Cl 2330275773 XSBQMECSEIFDGW-UHFFFAOYSA-N 441.000 5.934 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(CC(C)(C)C)n2N=Cc2ccccc2)cc1C 2330807769 YCPOAPLPYOJBIC-UHFFFAOYSA-N 435.597 5.097 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc([N+](=O)[O-])cc1 2330873279 ITPZUZPHCHMIPP-UHFFFAOYSA-N 443.960 5.603 30 10 IKEE CSc1nnc([C@H]2CCCO2)n1N=Cc1c(OCc2ccccc2)ccc2ccccc12 2330883112 OSMXBONYELZRGH-HSZRJFAPSA-N 444.560 5.466 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 2330950841 RLYRREYLMQRIQD-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)cc2)cc(OC)c1OC(=O)Cc1cccs1 2330980168 CMRQUUSTJZKAIH-UHFFFAOYSA-N 448.540 5.538 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(Br)c1OC(=O)C1CCC1 2331281403 SROBVGMPRIABSW-UHFFFAOYSA-N 429.310 5.368 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)cc2)cc1 2331491483 KECAWSIHEJTKHR-LOSJGSFVSA-N 444.958 7.069 30 10 IKEE CCCCCCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2)cc1 2331512522 CMYHMSVKTFFJNV-UHFFFAOYSA-N 446.518 6.900 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1N=Cc1cccc(Cl)c1 2331630787 SSNDNLSUQKYAJK-UHFFFAOYSA-N 441.988 5.114 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)Cc2ccc(Cl)cc2)cc1 2331659126 CYMFVVCIIBUHDE-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)c1ccc(C)c(C)c1 2331704415 LRYUDKZCHURIIM-UHFFFAOYSA-N 448.946 6.698 30 10 IKEE CCOc1c(I)cc(/C=C2/Sc3ccccc3C2=O)cc1OC 706268 AWDPUWODVWOFJG-MHWRWJLKSA-N 438.286 5.028 30 10 IKEE COc1cc(Br)cc(/C=N/c2ccc3oc(-c4cccc(F)c4)nc3c2)c1O 3190935 RLCAZDUOSIPMPK-BHGWPJFGSA-N 441.256 5.861 30 10 IKEE Cc1ccc([C@@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccccc4Cl)nn32)cc1 9856498 ADNDRQUZAXNHGK-OAQYLSRUSA-N 436.968 5.554 30 10 IKEE CCCCCOc1ccc(/C=C2/CCC/C(=C\c3ccc(OCCCCC)cc3)C2=O)cc1 20115458 FETMZSSJZUELET-SKTAYQSRSA-N 446.631 8.045 30 10 IKEE O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1ccccc1C(F)(F)F)Nc1ccccc1N2 21225501 DLOBASVYAVXFQB-QKFKETGDSA-N 440.490 6.746 30 10 IKEE COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2Cl)c1 21225521 HQPKDKDYCKZSFB-MRDQGFSESA-N 430.935 6.328 30 10 IKEE C=CCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(C)cc3s2)cc1 33271491 YZVJAHKIUBMVHT-SFHVURJKSA-N 430.533 5.138 30 10 IKEE CCOc1ccc2oc(C)c(C(=O)Oc3ccc4c(c3)O/C(=C/c3ccc(C)o3)C4=O)c2c1 35550586 FIEYEWIVRJRQNH-YDZHTSKRSA-N 444.439 5.877 30 10 IKEE C=CCN1C(=O)/C(=C(\C)c2cccc(N)c2)S/C1=N/c1nc(-c2ccccc2)cs1 39865933 CNXWCPNBYZJOSC-PKPRBZMYSA-N 432.574 5.572 30 10 IKEE CCCCCCCCCC[n+]1ccc(-c2cc[n+](CCCCCCCCCC)cc2)cc1 84652330 IXUJEAHXPVPNHT-UHFFFAOYSA-N 438.744 8.210 30 10 IKEE CC(C)N=C1/C(=C/c2ccc(C(C)(C)C)cc2)COC/C1=C\c1ccc(C(C)(C)C)cc1 100086677 RQWWQPUHZZORSE-WZGDJCGDSA-N 429.648 7.628 30 10 IKEE CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](C)c1ccccc1 100461923 UNZFWOPZQAQEBQ-NDEPHWFRSA-N 443.760 9.686 30 10 IKEE CCCCCCCCn1c(CCNC(=O)Cc2ccccc2Cl)nc2ccccc21 102143110 HRNPOLGHQFDGPX-UHFFFAOYSA-N 426.004 5.952 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2cccc(C)c2C)c1 169933970 GSQGEBBADQNERJ-DEOSSOPVSA-N 445.490 5.542 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1c1cccc(C)c1 169941524 HERXNVRMFMQFBX-DEOSSOPVSA-N 438.483 5.268 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccs1 169986981 PRCKYNDXBKLYHK-LJQANCHMSA-N 444.339 6.146 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(F)cc2)c1 170060618 WVZGNKZSSUTVJA-HSZRJFAPSA-N 443.430 5.363 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@@H]2c2ccc(F)cc2)cc1 170061810 RJUBJGJIPDXAFR-DEOSSOPVSA-N 445.490 5.488 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccc(C)c2)c1 170138994 BZKRCTOKCZPCGZ-QHCPKHFHSA-N 447.556 5.624 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccccn2)cc1C 170172970 LXBNHWTWMMMFFB-DEOSSOPVSA-N 442.515 5.107 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1cccc(OCC(C)C)c1 170218926 GWRDZWMEDQENRU-QHCPKHFHSA-N 437.536 5.027 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccccc2)c1 170225104 HOMYZOUXKGLENP-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(F)cc1 170242145 XFSBBRXAGGHTRN-OAQYLSRUSA-N 443.902 5.399 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1F)c1ccc2c(c1)CCCC2 170249089 XCKKPWYLAUIXFA-DEOSSOPVSA-N 427.475 5.487 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2C)cc1C 170275513 WSRRWQBSFQYCIG-XMMPIXPASA-N 433.548 5.613 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)[C@@H]2c2ccco2)c1 170278878 VTULNUMGRBIMMN-NRFANRHFSA-N 449.846 5.471 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)[C@@H]2c2ccco2)c1 170282794 XECDIDMQKZAAEJ-QFIPXVFZSA-N 447.874 6.079 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccc(OCC(C)C)cc2)c1 170461412 HBMRWZKNLNNAFC-XMMPIXPASA-N 445.515 5.401 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)c1 170471579 YPIKRXOOQCGYTE-HSZRJFAPSA-N 433.592 6.112 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc(-c2cc(=O)c3cc(C)cc(C)c3o2)cc1 170556901 PHOCUPHBIODMMO-UHFFFAOYSA-N 433.592 6.947 30 10 IKEE CCc1ccc(NC(C)=O)cc1Nc1nc(SC)nc(-c2cccc(Cl)c2)c1C#N 242764907 DONCFOUGLKYNPE-UHFFFAOYSA-N 437.956 5.655 30 10 IKEE CSc1nc(Nc2ccc([N+](=O)[O-])cc2Cl)c(C#N)c(-c2cccc(Cl)c2)n1 244132068 ULBWPAPQVLWKDL-UHFFFAOYSA-N 432.292 5.696 30 10 IKEE CCc1c(C)c(C#N)c2nc3ccccc3n2c1NN=Cc1cc2cc(C)ccc2nc1O 254709153 CZJCOVRUHFWGSY-UHFFFAOYSA-N 434.503 5.238 30 10 IKEE COc1cc(C=NNc2nc3ccccc3s2)ccc1OCCCOc1ccc(C)cc1 263631314 AEJVMBCAVVQZNI-UHFFFAOYSA-N 447.560 5.907 30 10 IKEE C=C([C@H](NCCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C)C(F)(F)F 406711944 PHFHCUSEPJQDAW-HNNXBMFYSA-N 437.300 5.955 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccco2)cc1OCC 526490654 NVXDKXCURNQGIX-QHCPKHFHSA-N 430.460 5.006 30 10 IKEE Cc1c([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2cccc(C#N)c2)c2ccccc2n1C 526515530 JAGALCVTBVHKLL-HSZRJFAPSA-N 425.513 5.477 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3ccc(Cl)c(Cl)c3)[C@H]2c2ccc(O)cc2)c1 526522887 TXVVGAFWGBECEH-OAQYLSRUSA-N 437.282 5.628 30 10 IKEE Cc1ccc(CSc2nncn2/N=C\c2ccc(OCCCc3ccccc3)cc2)cc1 526803710 JBHREGLGVZMMFJ-VEILYXNESA-N 442.588 5.773 30 10 IKEE COc1ccccc1/C=N\n1c(CCc2ccccc2)nnc1SCc1ccccc1F 526803800 NZJFZDNAMLPOBV-PKAZHMFMSA-N 446.551 5.386 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccccc1OCc1ccccc1 526806708 SHHIQECXPBSDOE-YSMPRRRNSA-N 448.979 5.993 30 10 IKEE CC(C)(C)c1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)Cc2ccc(C#N)cc2)cc1 586143111 SWGDXMXHLXTXHN-UHFFFAOYSA-N 436.552 5.386 30 10 IKEE COc1ccc(C)cc1S(=O)(=O)N(Cc1cccc(C#N)c1)c1ccc(C(C)(C)C)cc1 586247120 KWEJOSKHIDZYAA-UHFFFAOYSA-N 448.588 5.568 30 10 IKEE CCCCCCN(C(=O)c1cc(C#N)c(SC)nc1O)c1ccc(Br)cc1 764387196 GRCHGYPEDNONQU-UHFFFAOYSA-N 448.386 5.370 30 10 IKEE O=[N+]([O-])c1ccc(NN=C(CSc2nc3ccccc3s2)c2ccc(F)cc2)cc1 1083914549 VKHZYKQBSFXFAV-UHFFFAOYSA-N 438.509 5.952 30 10 IKEE CCN(CC)c1ccc(C=Nc2sc(Cc3ccccc3)c(C)c2C(=O)OC)c(O)c1 1084467963 ICORJIWVZAWVHW-UHFFFAOYSA-N 436.577 5.736 30 10 IKEE C[C@H](Oc1ccc(/C=C2/SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc1)C(=O)O 1084649719 XDMKMXGMKYAWSP-NMYLJDQESA-N 444.512 5.347 30 10 IKEE COc1cccc(NC(=O)[C@@]23CC[C@@](C)(C(=NOC(=O)c4ccc(C)cc4)C2)C3(C)C)c1 1772722875 ZSYVFZDYKOJYJX-IZZNHLLZSA-N 434.536 5.372 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(C(C)C)cc2)SC1=Nc1nc(-c2ccccc2)cs1 1772733374 AYRQJSPLAQKBSE-MALGGUPZSA-N 433.602 6.557 30 10 IKEE O=C1/C(=C\c2ccc(O)c(O)c2)SC(=Nc2ccncc2Cl)N1C1CCCCC1 1772734367 CRXCEPCRZPLFNR-PPHIJBTASA-N 429.929 5.083 30 10 IKEE N#Cc1cccc(NC(=O)Oc2cccc3c(NC(=O)c4ccccc4Cl)cccc23)c1 1858771356 KOEVXURPKYMONQ-UHFFFAOYSA-N 441.874 6.228 30 10 IKEE CCc1ccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)nn2-c2ccc([N+](=O)[O-])cc2)cc1 1859397340 CMMLNTTXMOYAKT-UHFFFAOYSA-N 437.459 5.134 30 10 IKEE N#Cc1c(NC(=O)CCc2ncc(-c3ccc(Cl)c(Cl)c3)o2)oc2c1CCCC2 1859756021 HEAAUYKDCOGVBR-UHFFFAOYSA-N 430.291 5.563 30 10 IKEE C=CCN(C(=O)/C=C/c1ccc(Cl)cc1Cl)C1CCN(Cc2ccccc2)CC1 1860027731 DWROKAFSUNCKGI-PKNBQFBNSA-N 429.391 5.686 30 10 IKEE N#Cc1cccc(C(=O)n2c(=O)oc3cc(-c4csc(-c5cccc(F)c5)n4)ccc32)c1 1860472647 DOSZCYFCVAMXTO-UHFFFAOYSA-N 441.443 5.084 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(C)cc2)cc1 1862389319 CUOLRXKJEXHPJM-VWNXMTODSA-N 433.548 5.095 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc(F)cc2)cc1C 1862401853 LJFAHFWTVXRNMT-ZFUCPZCZSA-N 437.511 5.300 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2ccccc2)cc1OCCC 1862425192 RTCLBHNDTSLRAH-HSZRJFAPSA-N 437.536 5.253 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2CCC(C)C)c1 1862459454 JBFWMLDIRQKTGW-NRFANRHFSA-N 447.453 5.127 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)c(OC)c1 1862481339 CQZUGGMMDORWQV-QHCPKHFHSA-N 437.536 5.171 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccc(C)cc2)cc1 1862502290 WBSZMXNIOLZEJK-RUZDIDTESA-N 443.518 5.783 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1ccc(F)cc1F 1862516454 OLKKGIXESQRSDP-NRFANRHFSA-N 429.463 5.132 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@H]2c2ccc(C)cc2)cc1 1862534143 QYBRXAULLGDJDC-DEOSSOPVSA-N 445.946 5.989 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1c(F)cccc1Cl 1862549281 LTGMSSFUZFLAMM-QFIPXVFZSA-N 441.930 5.592 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccccc1F 1862614646 CEWRLRYEGHQRES-BSDZUQITSA-N 449.566 6.280 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(C(=O)O)cc1 1862616020 OOUVNCICSPXATK-JOCHJYFZSA-N 449.547 5.307 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccccc1Cl)c1ccc(F)cc1 1862675881 VUEMPVWGZNMBST-OAQYLSRUSA-N 427.903 5.780 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862676258 FJSFPQNPWXWZSP-DEOSSOPVSA-N 445.490 5.311 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2cccc(OC)c2)c1 1862702494 DNLIWQAYPYKGIY-DEOSSOPVSA-N 449.547 5.395 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(F)cc1 1862702519 FIVROGMZYOGYJQ-REWPJTCUSA-N 439.527 5.772 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1c(Cl)cccc1Cl 1862705938 JWKIOKLPHVIOTJ-CWTRNNRKSA-N 434.319 5.379 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CC(C)C)cc1 1862718322 XYNXZDOPIWHOSX-DEOSSOPVSA-N 429.516 5.473 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccc(F)c(Cl)c3)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1863030390 ARZGWZRNBDJGCC-UHFFFAOYSA-N 445.881 5.364 30 10 IKEE N#Cc1ccccc1NC1=C(c2ccc(Cl)cc2)C(=O)N(Cc2ccccc2Cl)C1=O 1863179818 HQORQIZBAUAAKC-UHFFFAOYSA-N 448.309 5.257 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cccc(C)c2)=C(c2ccccc2OC)C1=O 1863425740 SDHHYDDDYNXULR-UHFFFAOYSA-N 448.607 6.336 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(F)cc2)C(=O)N(CCCOCC)C1=O 1863511603 VXTOWLKKYDKNRW-UHFFFAOYSA-N 432.580 5.063 30 10 IKEE CC(C)(C)c1nc(Nc2cccc(C#N)c2)cc(N2CCO[C@H](c3ccc(Cl)cc3)C2)n1 1868333265 CTWDBXFIBVENLK-NRFANRHFSA-N 447.970 5.621 30 10 IKEE C=CCOc1cn(CCCOCCCC)c(CSc2nc3ccccc3s2)cc1=O 1870244193 DRHXUEHDNVCCSV-UHFFFAOYSA-N 444.622 5.522 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCC(C)C)cn1CCCCCCCCCC 1870352591 BQEBSXCPOGXFQD-UHFFFAOYSA-N 430.677 6.588 30 10 IKEE CCCCCCCCn1cc(OCC)c(=O)cc1CNc1ccc(Cc2ccccc2)cc1 1870788523 LQKIXLGJZGOYTO-UHFFFAOYSA-N 446.635 6.810 30 10 IKEE C=CCOc1cn(CCc2ccc(F)cc2)c(CNc2ccc(CCCC)cc2)cc1=O 1870809762 UTGURYJUULYCBH-UHFFFAOYSA-N 434.555 5.750 30 10 IKEE C=CCOc1cn(CCC2=CCCCC2)c(CNc2ccc(Cl)c(Cl)c2)cc1=O 1870813361 IILGTXSHZLGUQR-UHFFFAOYSA-N 433.379 6.223 30 10 IKEE C=CCn1cc(OCCc2ccc(OC)cc2)c(=O)cc1CNc1ccccc1C(C)C 1871051731 VSJKDOKXMQPSHQ-UHFFFAOYSA-N 432.564 5.400 30 10 IKEE COc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(CCc1ccc(C)cc1)C3 1871348080 PDUSRBSDWCNFTP-MYYYXRDXSA-N 441.527 5.323 30 10 IKEE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccco2)C3=O)cc1OCC 1871379422 QNWVTOUWGWFMNE-IWIPYMOSSA-N 448.471 5.693 30 10 IKEE Cc1c(OC(=O)CC2CCCCC2)ccc2c1O/C(=C\c1cn(C)c3ccccc13)C2=O 1871380580 VZGJISCZERMSGP-IWIPYMOSSA-N 429.516 5.979 30 10 IKEE Cn1cc(/C=C2\Oc3cc(OC(=O)CCOc4ccccc4)ccc3C2=O)c2ccccc21 1871384290 ONBKHXSHQQZHLT-MYYYXRDXSA-N 439.467 5.169 30 10 IKEE Cc1ccc(OCCCOc2ccc3c(c2)O/C(=C\c2cn(C)c4ccccc24)C3=O)cc1 1871405939 NNNQKDIHCFEJIP-YUMHPJSZSA-N 439.511 5.951 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCCOc4cccc(C)c4)cc(C)c3C2=O)cc1OC 1871406102 HJCMCXLAMKSJEM-MYYYXRDXSA-N 446.499 5.395 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(O[C@H](C)C(=O)Nc4ccccc4C)c3C)C2=O)c1 1871408169 AJNBIUBYEJDFGI-BEXDPUPVSA-N 443.499 5.334 30 10 IKEE Cc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1cccc(F)c1)C2=O 1871409410 NMWKNWFKLJLFBF-SUVVMJBMSA-N 431.463 5.465 30 10 IKEE Cc1cc(C)c(COc2cc(C)c3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1C 1871422976 KLIMCJHFQICEKH-VYYCAZPPSA-N 426.556 7.239 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4c(C)cccc4C)cc(C)c3C2=O)cc1 1871440425 OGNZOXOCSVEYBJ-QRVIBDJDSA-N 443.499 5.254 30 10 IKEE C=CCN=c1nc(N(CCCC)CCCCCC)[nH]c(=Nc2cccc3ccccc23)[nH]1 1871728354 ADXNWRXHZHCYLA-UHFFFAOYSA-N 432.616 5.397 30 10 IKEE CCCCCCCCCOc1ccc(-c2nc3ccc(C(=O)NCC)cc3[nH]2)cc1OC 1872730486 NGVFFEOYCYFUEX-UHFFFAOYSA-N 437.584 6.118 30 10 IKEE COc1ccc(OC)c(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)c(Cl)c3)n2)c1 1872771219 OSYBFBUTAOFURF-AWEZNQCLSA-N 433.316 5.624 30 10 IKEE CC(C)c1ccccc1O[C@@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872774148 ILQULFOBFOEUQZ-LPHOPBHVSA-N 448.544 5.348 30 10 IKEE COc1cc(OC)c(-c2csc([C@H](C#N)C(=O)c3ccc(N(C)C)cc3)n2)cc1Cl 1872782855 OIYPNIUMEQKYIS-MRXNPFEDSA-N 441.940 5.037 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccccc3C(C)C)n2)cc1C 1872788048 VZVBQYWLVHFKTL-GHTZIAJQSA-N 448.588 6.203 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4ccccc4oc3=O)n2)cc1Cl 1872789597 NXOQADVOTNOTOC-OAHLLOKOSA-N 436.876 5.069 30 10 IKEE CCOc1ccc(-c2nc(C3=C(N)N(c4cccc(C(C)(C)C)c4)CC3=O)sc2C)cc1 1872796293 UALGWUNFFJEBIK-UHFFFAOYSA-N 447.604 5.531 30 10 IKEE CCCCCCCCNC(=O)c1ccc(COc2ccc(C(=O)OC)cc2OC)cc1 1872869054 OTAHLPKAZXSVBA-UHFFFAOYSA-N 427.541 5.151 30 10 IKEE CCCCCCCCCCNC1=C(c2cccc(OC)c2)C(=O)N(CCCCCC)C1=O 1873044114 ZRHRUCXNFKYTPU-UHFFFAOYSA-N 442.644 6.086 30 10 IKEE CCCCCCCCNC1=C(c2cccc(OC)c2)C(=O)N(CCCc2ccccc2)C1=O 1873047399 GTACSLFYWUTIOG-UHFFFAOYSA-N 448.607 5.358 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccccc2C)C1=O 1873302688 DAMSAGQTUOSXBB-UHFFFAOYSA-N 443.591 6.199 30 10 IKEE Cc1ccc(CSc2nnc(COc3cccc(C)c3C)n2/N=C/c2ccncc2)cc1 1874322370 NPGDDXDSXVGLOG-JFLMPSFJSA-N 443.576 5.352 30 10 IKEE CCOc1ccc(/C=N/n2c(Cc3ccc(C)c(C)c3)nnc2SCC)cc1OCC 1874358273 YEAZEKQJIPMPNC-PCLIKHOPSA-N 438.597 5.277 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2)n1/N=C/c1ccccc1Cl 1874362444 FXBHZBHDGJMMFN-WPWMEQJKSA-N 447.007 6.200 30 10 IKEE Clc1ccccc1CSc1nnc(COc2ccccc2)n1/N=C/c1cccnc1 1874384429 OPSOUMVBSLCUMT-AFUMVMLFSA-N 435.940 5.080 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccc(F)cc2)cc1 1874387971 NYLWRTOCYDBLJQ-JFLMPSFJSA-N 434.515 5.630 30 10 IKEE O=[N+]([O-])c1ccc(/C=N/n2c(Cc3cccs3)nnc2SCc2ccccc2)cc1 1874412860 ZRFKFJRFMIMACP-HYARGMPZSA-N 435.534 5.013 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2ccccc2C)nnc1C1CCCC1 1874452219 KAXMFIULDXITRV-YZSQISJMSA-N 432.593 5.983 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2C2CCCC2)cc1 1874454104 AMIAUUNZXMUKLI-OVVQPSECSA-N 447.652 6.265 30 10 IKEE COc1cc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2-c2ccco2)ccc1O 1874467669 VIHXPYKCHPKFMC-FSJBWODESA-N 440.912 5.080 30 10 IKEE COCCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1ccc(C(C)(C)C)cc1 1874472359 ARFSHQBVFLFBHU-WGOQTCKBSA-N 436.625 5.556 30 10 IKEE CC(C)(C)c1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C(C)(C)C)cc1 1874485726 JZSCGYPLJHNROD-CVKSISIWSA-N 441.044 6.701 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc(O)cc1 1874492231 FGKQXGYHTCUBLY-FOKLQQMPSA-N 435.380 5.664 30 10 IKEE C(=N/n1c(SCc2cccc3ccccc23)nnc1C1CC1)\c1ccc2c(c1)OCCO2 1874520692 LLZZOPBRQXQZKD-CVKSISIWSA-N 442.544 5.254 30 10 IKEE Sc1nnc([C@@H]2CCCO2)n1/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 1874560397 VUGVZZFASWVBSZ-RIDKEVFESA-N 449.363 5.186 30 10 IKEE Sc1nnc(Cc2cccs2)n1/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 1874560655 IVCPOKWPJYTFCW-YDZHTSKRSA-N 440.981 5.334 30 10 IKEE O=C(/C=C/c1c(OCc2cccc(Cl)c2)ccc2ccccc12)c1ccc2c(c1)OCO2 1874582714 CFTOSBZJJBDEPO-ZHACJKMWSA-N 442.898 6.697 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1C(C)C 1874585557 WGELFQBIYSPRTJ-SDNWHVSQSA-N 445.515 6.510 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccccc3F)c2)cc1 1874593529 NUVMJKASDFTRAP-SAPNQHFASA-N 431.507 6.082 30 10 IKEE C[C@H](NC(=O)COc1cccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c1)c1ccccc1 1874596892 IJHUGCBTBCYYRT-DOIQENQNSA-N 441.571 6.136 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cc(Br)c(OC)c(OC)c1 1874625906 CMNPLGCWOGGLFC-VQHVLOKHSA-N 433.342 5.669 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc([N+](=O)[O-])c1OCCO 1874628101 LUFGDSPFZZYPJP-MDWZMJQESA-N 449.459 5.053 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1OC(=O)Cc1ccccc1Cl 1874698777 NNQPEFVASFXRQP-UXBLZVDNSA-N 442.845 5.671 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCCOc3c(C)cccc3C)c2)c(C)c1 1874702345 OAOMQVUSMOXQCH-JQIJEIRASA-N 442.555 6.581 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(Cl)s2)CSc2nnc(C3CC3)n21 1874850054 STFORCUDRKKVQG-OAHLLOKOSA-N 439.050 5.933 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OC(=O)C1CCCC1 1875085266 XMDNSKJEJUIEIV-MDZDMXLPSA-N 429.856 5.249 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 1875107089 ZSXCFPTYLDHQEJ-CIAFOILYSA-N 440.583 7.442 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccn2)c(Cl)c1)c1ccc(Br)cc1 1875109917 KSVGHQYQEANWKZ-ONNFQVAWSA-N 442.696 5.613 30 10 IKEE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3Cl)cc2)cc1 1875112142 ZAUXESJGQYZJMI-RPXHZFJKSA-N 448.946 6.732 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(C)c(C)c2)c([N+](=O)[O-])c1 1875119496 XUUHXOHKCCWUNH-FMIVXFBMSA-N 431.444 5.336 30 10 IKEE O=C(COc1ccccc1)Oc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] 1875124112 ALCQTUOYRRCXMO-PKNBQFBNSA-N 437.835 5.129 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OC(=O)Cc1cc(C)ccc1C 1875126894 GLHFUGCRURMNTJ-OUKQBFOZSA-N 448.946 6.400 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)C3CCCC3)c(OCC)c2)cc1 1875130260 OCPDRXNSIWLWCZ-NTEUORMPSA-N 442.939 6.129 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(OC)cc3)c(OC)c2)cc1 1875131077 GZYXFFFLWJXBDB-VIZOYTHASA-N 446.499 5.147 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)c(Cl)c2)c1 1875139488 LDWIUZTXLLZTFR-FNORWQNLSA-N 448.990 6.975 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)cc2)c1 1875146653 FADQJFSLRIQNTE-YRNVUSSQSA-N 428.484 5.119 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)CC3CCCCC3)c(Cl)c2)cc1 1875148859 XPFPTCIXYVLWAI-OQLLNIDSSA-N 438.995 7.409 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)c1cccnc1 1875156008 GPGCETOTIVFDLP-IZZDOVSWSA-N 435.907 5.982 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc(OC)c1OC(=O)C1CC1 1875165654 RTWKJHLYOXEMFU-OVCLIPMQSA-N 444.483 5.708 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1OC(=O)[C@H]1CCCO1 1875165912 GTFAMZAGDIPQHF-MHNQQFQPSA-N 442.939 5.563 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc(Cl)c1OC(=O)C(C)(C)C 1875167207 UMTPRTFOYWNGON-PKNBQFBNSA-N 444.955 6.212 30 10 IKEE CCCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc1OC 1875179995 BPKAARYGXIHEEW-MDZDMXLPSA-N 446.927 5.666 30 10 IKEE CC#CCCC[C@H](NC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1879648082 STODCKGROXMRBD-WNJJXGMVSA-N 443.587 5.660 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)[C@H]2CCC[C@@H]21 1926553847 DPANYSOUPDFTFP-RLSLOFABSA-N 447.620 5.628 30 10 IKEE C=C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)([C@H](CC(C)C)C(=O)O)C(C)(C)C 1927550260 KBHMLRAMFXQWDD-UFHPHHKVSA-N 449.591 6.243 30 10 IKEE CC(C)[C@H]1C[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)CN1Cc1ccccc1 1928646827 WBURDEUBNRHRGD-SHQCIBLASA-N 433.596 5.617 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 1944568192 YQIQFZJWMVYLNB-HOYKHHGWSA-N 429.561 5.405 30 10 IKEE Cc1cc(Br)c([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)s1 2029267587 LQNUCBGMIFHFBH-HNNXBMFYSA-N 441.778 6.479 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)Cc1cc(Cl)c(C)c(Br)c1 2048645546 MEUMHYWQEDKONC-DLBZAZTESA-N 431.802 5.140 30 10 IKEE Cc1cc(C)c([C@@H](C2CCC2)n2nc(C(C)(C)C)c(C=NO)c2Br)c(C)c1 2079845856 VVCPNBVLETTWCC-LJQANCHMSA-N 432.406 6.066 30 10 IKEE Cc1ccc([C@H](n2nc(C3CC3)c(C=NO)c2Br)C(C)(C)C)c(F)c1F 2079903828 KXBDIBMIPQZZSX-KRWDZBQOSA-N 426.305 5.553 30 10 IKEE Fc1c(F)c(F)c(-c2c(C(F)(F)F)nn3c(Cl)c4c(nc23)CSC4)c(F)c1F 2081544268 MHYAXGCQTSMHTJ-UHFFFAOYSA-N 445.722 5.511 30 10 IKEE CCCC#CC[C@@H](NCCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2138991570 USXOBPOBIHTGSU-MUUNZHRXSA-N 441.615 7.079 30 10 IKEE CC(C)c1ccccc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2174246193 HCPDXTUMBDIQPI-HXUWFJFHSA-N 429.358 6.579 30 10 IKEE CN(Cc1ccc(NC(=O)OC(C)(C)C)cc1)c1cc(Br)c(C#N)cc1F 2174810472 MVQGVYGIAJUMGB-UHFFFAOYSA-N 434.309 5.443 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2ccc(Br)c(C#N)c2)c1F 2180962403 NMVVHXNGQAYWPP-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE C=CCC[C@H](NCCC)c1sc(Br)c(Br)c1Br 2216487338 IMLCJNTXGYYLNU-QMMMGPOBSA-N 446.046 6.043 30 10 IKEE CCN[C@H](C#Cc1ccc(CC)cc1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2223324419 MWKHOLJOEUZSPZ-SANMLTNESA-N 434.624 5.796 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1Cc2ccc(Nc3cc(Br)ccc3C#N)cc2C1 2234127254 UADZFZAZVCHGAQ-SFHVURJKSA-N 428.330 5.056 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)CC[C@H](CC)NC(=O)OC(C)(C)C 2235747889 UMNANYDGPOPHOB-OALUTQOASA-N 437.422 5.252 30 10 IKEE C#CCN(C[C@@H](NCCC)c1sc(Br)c(C)c1C)C(=O)OC(C)(C)C 2254672655 HPWFESKCPIFMOM-OAHLLOKOSA-N 429.424 5.038 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)c1 2255802329 XZLXTWRCPWYPBP-UHFFFAOYSA-N 434.317 5.128 30 10 IKEE Cc1sc(C(=O)N(Cc2ccccc2)c2ccccc2)c(C)c1B1OC(C)(C)C(C)(C)O1 2267577947 WNRWPVTVFDNAIX-UHFFFAOYSA-N 447.409 5.511 30 10 IKEE CCCCCC(=O)C=C[C@H]1[C@H](OC(=O)c2ccc(-c3ccccc3)cc2)C[C@@H]2OC(=O)C[C@@H]21 2293829918 KVAPQSSLLZXBHI-POTDNYQPSA-N 446.543 5.536 30 10 IKEE CN[C@H](C#Cc1cccc(Br)c1)CCCCCCCNC(=O)OC(C)(C)C 2296216898 OVHAPTAFXDOXQT-FQEVSTJZSA-N 437.422 5.254 30 10 IKEE COc1ccccc1C=CC(=O)c1cc(Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 2296797053 MKCLAPWUSSIDLX-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE Cc1ccc2c(c1)SC(=C1C[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C1=O)S2 2297464324 YMDSWPZYGHRYGY-DNONACJQSA-N 438.702 8.016 30 10 IKEE COc1ccc(C=NN=C2SC(=Cc3ccccc3C)C(=O)N2Cc2ccco2)cc1 2314818744 KSBDLNSVEQVEEV-UHFFFAOYSA-N 431.517 5.103 30 10 IKEE C=CCN1C(=O)C(=Cc2c(Cl)cccc2Cl)SC1=Nc1ccccc1C(=O)O 2314926421 ISEPCNKOMPXCLK-UHFFFAOYSA-N 433.316 5.482 30 10 IKEE CCCCCCCCCOc1ccc(C=NNS(=O)(=O)c2ccccc2)c(Cl)c1 2318415592 RISBMPBGLWEENC-UHFFFAOYSA-N 437.005 5.782 30 10 IKEE Sc1nnc(-c2ccco2)n1N=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2321904903 VUELRAAKAWWKIN-UHFFFAOYSA-N 445.331 5.595 30 10 IKEE COc1ccccc1CN1COc2cc(C)c3c(c2C1)OC(=Cc1cccc(Cl)c1)C3=O 2321993656 RXFZOSXUXIRGTB-UHFFFAOYSA-N 447.918 5.625 30 10 IKEE COc1ccc(C=C2Oc3c(ccc4c3CN([C@H](C)c3ccccc3)CO4)C2=O)c(OC)c1 2322092435 FVNMRFCTKNPQFJ-QGZVFWFLSA-N 443.499 5.233 30 10 IKEE CCCCN1COc2c(cc3c(c2C)OC(=Cc2ccccc2Br)C3=O)C1 2322341234 JOKPTZGDRSACKX-UHFFFAOYSA-N 428.326 5.326 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(C)cc2)c1OCC(=O)Nc1cccc(C)c1 2322593470 PZZXMVZUNJBVNC-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccccc2OCC(=O)Nc2c(C)cccc2C)c(C)c1 2322945319 SDBIZHXMMLSYKC-UHFFFAOYSA-N 427.544 6.142 30 10 IKEE Cc1c(OC(=O)Cc2ccc(Cl)c(Cl)c2)ccc2c1OC(=Cc1cccs1)C2=O 2323419691 MZXBEEVHAHEZSB-UHFFFAOYSA-N 445.323 6.128 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc(OC(=O)C(Cl)=Cc3ccccc3)c2C)C1=O 2323441444 QGONAFORZNGVJG-UHFFFAOYSA-N 446.886 5.805 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2Cl)cc1)c1ccc(Br)cc1 2323580909 ZYJQIMNSJGOPMD-UHFFFAOYSA-N 427.725 6.578 30 10 IKEE Cc1c(OC(=O)c2ccc(-n3cccc3)cc2)ccc2c1OC(=Cc1ccccc1F)C2=O 2323676031 KTOSUVHFNKEFAB-UHFFFAOYSA-N 439.442 5.760 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(C)cc1C 2323774980 KHXAWLHUZWRENK-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)c1 2323831593 HUYNUVKYSKMNOM-UHFFFAOYSA-N 434.875 5.964 30 10 IKEE Cc1cc(O)c(CN(Cc2ccccc2)C(C)C)c2c1C(=O)C(=Cc1cccc(F)c1)O2 2324014801 BUMLFBSSVZLWSR-UHFFFAOYSA-N 431.507 5.867 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)cc(OC)c1OCCO 2324331572 LWHVVLWEQYBQBE-UHFFFAOYSA-N 437.319 5.006 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2Cl)c1 2324447361 SXTPROWDGULAKQ-UHFFFAOYSA-N 447.962 6.487 30 10 IKEE COc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1ccccc1F)C2=O 2324473886 WPLFJLZREUETIN-MRXNPFEDSA-N 447.462 5.165 30 10 IKEE COc1cccc(C=C2Oc3cc(OCCCCOc4ccc(C)cc4)cc(C)c3C2=O)c1 2324588747 RDUDBWMEZLDTNH-UHFFFAOYSA-N 444.527 6.166 30 10 IKEE CC(C)OC(=O)c1ccc(COc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1 2324602965 IGNSSZLCMFHDHM-UHFFFAOYSA-N 440.495 6.003 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCCOc3ccc(OC)cc3)cc(C)c2C1=O 2324684564 BNKAMGCIRVESDL-UHFFFAOYSA-N 446.499 5.476 30 10 IKEE O=C(C=Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 2325592809 NROGWTGNQTXSBR-UHFFFAOYSA-N 446.717 6.660 30 10 IKEE COc1cc(C=CC(=O)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccccc1 2325649590 QUSYAYIIBHIIPX-UHFFFAOYSA-N 435.907 5.457 30 10 IKEE Clc1cccc(CSc2nncn2N=Cc2ccc(OCc3ccccc3)cc2)c1 2325668903 OZSVRAWEOHWBKU-UHFFFAOYSA-N 434.952 5.685 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccc(Cl)cc2)C3=O)c1 2325722006 YXPYOJMSFDCDKM-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3ccc(C)c(C)c3)c2)cc1F 2325748540 NSYXVAAZEICXKN-UHFFFAOYSA-N 434.463 5.332 30 10 IKEE COc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(C)c(C)c3)c2)cc1[N+](=O)[O-] 2325760653 XJMGKNSQHLYPSO-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)c3ccc(C(F)(F)F)cc3)c2)c(C)c1 2325764845 OBNHLMNEGHTLEI-UHFFFAOYSA-N 438.445 6.746 30 10 IKEE CCc1ccc(C(=O)Oc2cccc(C=CC(=O)c3cc(C(C)(C)C)ccc3C)c2)cc1 2325765953 XRTJSLNWIRKNOK-UHFFFAOYSA-N 426.556 6.970 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)c(Br)c1O 2325789003 BLQPWSXABBVHHV-UHFFFAOYSA-N 432.097 5.375 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1cccc(Cl)c1Cl 2326600995 LVYJORHGFKTCJG-UHFFFAOYSA-N 433.408 6.329 30 10 IKEE CCCc1ccc(OCc2nnc(SCc3cccc(C)c3)n2N=Cc2ccco2)cc1 2327349589 KSTJWSGXQIBJTN-UHFFFAOYSA-N 446.576 5.886 30 10 IKEE CCCOc1c(C=Nn2c(Cc3ccccc3F)nnc2SCCC)cccc1OC 2329763898 NOQLDPKHPIHXOM-UHFFFAOYSA-N 442.560 5.190 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3Cl)n2N=Cc2cccc(O)c2)cc1 2330002206 RNDFLORUEKOWDJ-UHFFFAOYSA-N 448.979 5.711 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2N=Cc2ccccc2C)cc1 2330019540 HEACUNJTUVAJNK-UHFFFAOYSA-N 447.007 6.314 30 10 IKEE Cc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCCc2ccccc2)cc1 2330199862 NKUPSEQOXYJNBH-UHFFFAOYSA-N 426.589 5.589 30 10 IKEE C(=Nn1c(CC2CCCCC2)nnc1SCc1cccc2ccccc12)c1ccccn1 2330280532 WEPIZYZRTWWRHW-UHFFFAOYSA-N 441.604 6.124 30 10 IKEE Cc1cccc(CSc2nnc(-c3cccs3)n2N=Cc2ccccc2[N+](=O)[O-])c1 2330549598 VRMYYAAAOQFXIA-UHFFFAOYSA-N 435.534 5.398 30 10 IKEE COc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1 2330678539 IOVKHZFJKUZJDN-UHFFFAOYSA-N 442.511 5.455 30 10 IKEE CCSc1nnc(CC(C)(C)C)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2330832973 XISLDRAFWAPXQJ-UHFFFAOYSA-N 443.016 6.093 30 10 IKEE CCCOc1ccccc1C=Nn1c(CC(C)(C)C)nnc1SCc1cccc(F)c1 2330832991 AZOUYXYAUPDMRW-UHFFFAOYSA-N 440.588 5.969 30 10 IKEE COc1cccc(C=Nn2c(CC(C)(C)C)nnc2SCc2cccc(Cl)c2)c1O 2330873350 AAZPTDDFQVYHCY-UHFFFAOYSA-N 444.988 5.409 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2ccccc2C)c1 2331030453 SUNOYGCXZMGBCV-UHFFFAOYSA-N 447.608 5.474 30 10 IKEE Cc1cccc(CSc2nnc(C3CCCC3)n2N=Cc2cn(C)c3ccccc23)c1 2331045209 KAIZMDVNHXQHNZ-UHFFFAOYSA-N 429.593 5.910 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)c1cccc(F)c1 2331115842 MUGKKXIESCWDEA-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1cc(C)cc(C)c1 2331154567 IMDICACAUSGXKG-UHFFFAOYSA-N 434.919 6.471 30 10 IKEE CSCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(C)cc2)cc1Br 2331273307 AWAHFTIPACJXEP-UHFFFAOYSA-N 433.367 5.702 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)CCCOc1ccccc1 2331293331 XTJGEWZHDMCECC-UHFFFAOYSA-N 430.500 5.664 30 10 IKEE COCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccccc1OC(C)C 2331307119 HYICXHURACUXEE-UHFFFAOYSA-N 444.988 5.082 30 10 IKEE Cn1c(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCCO4)cc2)cc2ccccc21 2331397995 REYZJVAYYXPABR-UHFFFAOYSA-N 439.467 5.065 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3)c([N+](=O)[O-])c2)cc1 2331417407 MRYWLLSTDFWQJP-UHFFFAOYSA-N 429.472 6.008 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2)c1 2331489944 MZMTUYCPNMQAOP-UHFFFAOYSA-N 444.527 5.871 30 10 IKEE COc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2Cl)cc1 2331523196 GSFWNQONOZSOSD-UHFFFAOYSA-N 440.854 5.368 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(F)c3)cc2Cl)cc1C 2331557083 WYZCTKZISBECKS-UHFFFAOYSA-N 440.873 6.279 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OC(=O)Cc1ccc(F)cc1 2331569534 ONRMXYWNVUOUPX-UHFFFAOYSA-N 426.390 5.157 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)c1cccnc1 2331629920 FCIHNIYLQWBJNK-UHFFFAOYSA-N 431.488 5.221 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)c1ccccc1C 2331704424 MBNJTNLOJRXUJH-UHFFFAOYSA-N 434.919 6.389 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(N(C)C)cc3)c(Cl)c2)c(C)c1 2331768661 HQDHNFRNGNKTBC-UHFFFAOYSA-N 447.962 6.447 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H]3CCCO3)c(Cl)c2)c2ccccc12 2331866762 LPMPAEPRVSSJQV-DEOSSOPVSA-N 436.891 5.482 30 10 IKEE CCCCCOc1ccc(C=NNc2oc(-c3cccs3)nc2C(=O)OC)cc1OC 2331931924 JDVNWJWADJZYPE-UHFFFAOYSA-N 443.525 5.213 30 10 IKEE CC#CCN(C[C@H](NCCC)c1cccc(Br)c1Cl)C(=O)OC(C)(C)C 2337911141 SLKSLJRWJURJAM-KRWDZBQOSA-N 443.813 5.404 30 10 IKEE C[C@@H]1C[C@@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN1Cc1ccccc1 2339545971 CNVSKGMBAQHOBJ-ITTSFCMDSA-N 433.405 5.191 30 10 IKEE Cc1ccc2nc(N3CCN(C(=O)c4sc5ccccc5c4Cl)CC3)c(C#N)cc2c1 1364134 GVHLJZMDLSCXGU-UHFFFAOYSA-N 446.963 5.245 30 10 IKEE O=C1C(c2ccccc2)=C(c2ccccc2)[C@@]2(c3ccccc3)C=NN[C@]12c1ccccc1 1584197 PUVLZQLQKKEMNT-XZWHSSHBSA-N 426.519 5.603 30 10 IKEE CC#CCOc1ccc(CN(Cc2cccnc2)C(=O)c2cccc3c(C)c(C)[nH]c23)cc1 12152478 ZIDSXXYSYGHNSY-UHFFFAOYSA-N 437.543 5.424 30 10 IKEE CCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1OC 20882063 KJXWZCAMVQCZOM-WGDIFIGCSA-N 446.572 6.135 30 10 IKEE O=C1C[C@@H](c2ccccc2Cl)CC2=C1[C@@H](c1ccccc1[N+](=O)[O-])Nc1ccccc1N2 21226101 AOQQVNYPBUQCOH-ODCWNRFASA-N 445.906 6.228 30 10 IKEE CCOc1cc([C@@H]2C3=C(C[C@@H](c4ccccc4O)CC3=O)Nc3onc(C)c32)ccc1OC 21349703 QBUAXCKLUMGEGR-GYCJOSAFSA-N 446.503 5.054 30 10 IKEE C=CCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2[C@@H]1c1ccc(OCC(C)C)c(OC)c1 38594464 BYABTUYORWSMHO-DEOSSOPVSA-N 447.531 5.184 30 10 IKEE Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1Nc1ncnc(N(C)C)c1N 40688633 QFHSIRBXRSHDEC-INIZCTEOSA-N 427.339 5.139 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1cn(C)c4ccccc14)O3)CN(C1CCCCC1)CO2 41650628 UGFLJLLCVYOASJ-CFRMEGHHSA-N 428.532 5.588 30 10 IKEE Cc1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2ccc(C(C)C)cc2)C4=O)cc1 41655026 AJMMNZHGNOBDRS-WGARJPEWSA-N 425.528 6.087 30 10 IKEE C=CCNC(=O)c1cc(-c2csc(-c3ccc(OC)cc3)n2)n(CC2CCCCC2)c1C 43251562 GEJUXYNKUHISDW-UHFFFAOYSA-N 449.620 6.092 30 10 IKEE N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 65034347 PXGSSDHPWOGTNU-UHFFFAOYSA-N 442.416 5.119 30 10 IKEE O=C(/C=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(N2CCOCC2)cc1 96767045 PPSZQGMYIBBZHA-TWGQIWQCSA-N 428.315 5.986 30 10 IKEE CCCc1ccc(-c2cc(F)c(OC(F)(F)c3cc(F)c(F)c(F)c3)c(F)c2)cc1 98177486 NSAYSZWWTOIJHG-UHFFFAOYSA-N 428.347 7.130 30 10 IKEE CCCCCCCOc1ccc2ccccc2c1[C@H]1Nc2ccccc2C(=O)N1CCOC 100138479 IIVWMZJQWFBFIE-MHZLTWQESA-N 446.591 6.402 30 10 IKEE CN1C(=O)/C(=C/c2c(Cl)cccc2Cl)S/C1=N/c1nc(-c2ccccc2)cs1 101130064 ZFCAHPJPNLEDFV-YEKZGRKESA-N 446.384 6.351 30 10 IKEE O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccc(Cl)cc2)/C1=C(/O)c1ccc(Cl)cc1 103106181 WWDCRQJPUJPTGX-GOBJLOIFSA-N 439.298 5.010 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2cc(C)cc(C)c2)c1 169929983 AJMZPSCLCFPZDG-VWLOTQADSA-N 441.527 5.712 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@H]2c2cccc(OC)c2)cc1 169931065 YVSFPLAIYIXKCR-XMMPIXPASA-N 443.499 5.049 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 169936226 NUHCBXYONPLYGM-QFIPXVFZSA-N 444.874 5.003 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@@H]2c2ccncc2)cc1C 170020979 VJOARWREDYUSSC-RUZDIDTESA-N 434.495 5.635 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@H]1c1ccccc1)c1ccc2c(c1)CCO2 170050605 MBEKXYACRBNEKS-QFIPXVFZSA-N 449.865 5.197 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 170058838 CAZVPRBNVNLPMF-FQEVSTJZSA-N 439.298 5.167 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2cccc(O)c2)cc1 170081127 KPGXXDOXYXENLG-QFIPXVFZSA-N 449.890 5.227 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1C1CCCCC1 170123749 CWWIMQGGLWEBPZ-NRFANRHFSA-N 425.912 5.260 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@H]1c1ccccc1OC 170125504 LBHYDRMROYSHFE-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(O)cc1 170133432 AKDLNMHLBFJTGE-QHCPKHFHSA-N 425.440 5.230 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2C2CCCCC2)c1 170145501 ODCJRFIUZSPZIB-DEOSSOPVSA-N 431.532 5.231 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)c(Cl)c2)[C@H]1c1cccc(C)c1 170147085 CRNGKXKGYZPGPU-GOSISDBHSA-N 434.319 5.299 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccccn1)c1ccc2ccccc2c1 170169562 DTFPRPOEHCAEBE-HSZRJFAPSA-N 442.421 5.296 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccccn2)c(C)c1 170175412 QNEYYQSYVCSIFY-XMMPIXPASA-N 442.515 5.269 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccnc2)ccc1OC(C)C 170183266 GLVYBBSHNXWTIV-JOCHJYFZSA-N 448.544 5.017 30 10 IKEE Cc1nc(-c2ccccc2)sc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cccnc1 170197265 SBRARRVNHRIGOG-FQEVSTJZSA-N 445.544 5.034 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccccc2)c1 170226443 SHZBLYADXVOJSM-JOCHJYFZSA-N 449.890 5.140 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1ccc(F)cc1 170239073 JFURJCXETKAQSI-QFIPXVFZSA-N 435.426 5.065 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccccc2F)cc1 170249323 TZAIVQIFAQBRHE-XMMPIXPASA-N 445.490 5.704 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccccc2C)cc1C 170271973 GCYCMIYOXRCLPJ-DEOSSOPVSA-N 443.499 5.109 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@@H]1c1ccccc1C 170277259 MABLFKYBBBFWAW-NRFANRHFSA-N 427.928 5.426 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2ccc(C)o2)c1 170300155 HFLXAYHLSDGSOX-DEOSSOPVSA-N 443.499 5.313 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(NC(C)=O)cc2)cc1 170392931 FHCFPEACIQFKEF-JOCHJYFZSA-N 446.528 5.052 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(Cl)cc2)cc1 170421589 XOVCLXIWYZCDPT-HXUWFJFHSA-N 439.920 5.189 30 10 IKEE CCOc1cc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cc(C)cc(C)c2)ccc1OC 170439561 AOGVORKJHMSFFI-QFIPXVFZSA-N 437.536 5.226 30 10 IKEE O=S(=O)(NCc1ccc(C=Nc2ccc(Oc3ccccc3)cc2)o1)c1ccccc1 254841965 YHZLNUVJYSNEOL-UHFFFAOYSA-N 432.501 5.301 30 10 IKEE N#Cc1cc(Br)ccc1CSc1cc(Cl)c(N)cc1Br 312807564 PQRZWSBSPQIYSR-UHFFFAOYSA-N 432.568 5.611 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2sccc2C)c1OC 526491061 QLCCGBUOLOROIC-HXUWFJFHSA-N 432.501 5.003 30 10 IKEE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@@H]1c1ccc(F)cc1 526492659 YUHJTTUTGALCAX-HSZRJFAPSA-N 444.462 5.162 30 10 IKEE COc1ccc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2C#N)c(OC)c1 526607547 XTVUICOKIZUCRD-HSZRJFAPSA-N 446.890 5.286 30 10 IKEE COc1cccc(/C=N\n2cnnc2SCc2ccc(F)cc2)c1OCc1ccccc1 526801132 BJXWIAXPUJTSEF-VYYCAZPPSA-N 448.523 5.179 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1cccc(C(F)(F)F)c1 526809362 JGQODGXOCPKJJF-ZMFRSBBQSA-N 432.515 6.041 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1ccccc1OCC(C)C 526823181 RVFMRSJRDIGPJE-YUMHPJSZSA-N 447.608 5.702 30 10 IKEE CN(C(=O)Nc1ccc(C(=O)Nc2scc(C(C)(C)C)c2C#N)cc1)c1ccccc1 586682597 MOENBAYJBIJIJO-UHFFFAOYSA-N 432.549 5.838 30 10 IKEE CC(C)(C)OC(=O)N1CC([C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)C1 686263277 GCXTWGSECFRNSL-JOCHJYFZSA-N 435.952 5.231 30 10 IKEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@H](C#N)c1cccc(Cl)c1Br 719686473 SXNJHUWPOHYCOA-LLVKDONJSA-N 427.648 5.467 30 10 IKEE COc1ccccc1C/N=C(/NCc1cccs1)Nc1cc(-c2ccccc2)ccc1O 1088684457 XPJQXZBUHAPXNB-UHFFFAOYSA-N 443.572 5.887 30 10 IKEE C=CCOc1c(Br)cc(CN[C@@H](C)c2ccc3nc(O)oc3c2)cc1OCC 1203282337 GCKZQFXTXITBJG-ZDUSSCGKSA-N 447.329 5.110 30 10 IKEE COc1ccc(/C(C)=C2\SC(=Nc3nnc(C)s3)N(C3CCCCC3)C2=O)cc1 1772733766 ANKYNEYKJQRDLD-AHDBMNBVSA-N 428.583 5.182 30 10 IKEE C/C(=C1/SC(=Nc2cccnc2Cl)N(C2CCCCC2)C1=O)c1ccc(O)cc1 1772734065 OTPQHYVROSZEES-ZQFCNSAKSA-N 427.957 5.767 30 10 IKEE O=C1NC(=NN=Cc2ccc(-c3ccccc3)o2)S[C@H]1Cc1ccc(Cl)cc1Cl 1772742326 LZDOGRFRMSDAQR-IBGZPJMESA-N 444.343 5.418 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)Cc1ccc(F)cc1)c1ccccc1 1861482207 FVRJQIOBXYVZGX-VWLOTQADSA-N 426.576 5.483 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(F)cc1 1862413555 GJHSWNBZGZZLKB-GCJKJVERSA-N 445.481 6.041 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(C)cc1 1862429066 FKWOLRWAFURNBF-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(N(C)C)cc1 1862433665 IEVSWXIQFRLJCA-OAQYLSRUSA-N 426.944 5.030 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862468877 ZRLMQGASLIQKKQ-VBKZILBWSA-N 442.353 5.388 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccccc2Cl)cc1 1862486447 CPEUXFKVYOTFTG-XMMPIXPASA-N 445.946 6.044 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccccc1[N+](=O)[O-] 1862532122 CIUVNEIFIUGBFV-JOCHJYFZSA-N 436.508 5.316 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccccc1F 1862544520 FWUGNYZJMOZYAV-HGMMTPDKSA-N 447.550 5.862 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862619774 BZLOJDMDDGANTD-DEOSSOPVSA-N 447.619 6.516 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc2cc[nH]c2c1 1862626547 DMBHOPMDCTWTMG-QHCPKHFHSA-N 446.503 5.055 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc2cc[nH]c2c1 1862660821 NBLMUULKXFLRAW-XMMPIXPASA-N 430.548 6.060 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862673883 QLHPSTCJFKEISH-HSZRJFAPSA-N 433.454 5.306 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(OCC)cc1 1862676731 PWMYOBVQWWZPDT-QFIPXVFZSA-N 425.500 5.383 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862702883 OFUWKMKBVZJXAN-XMMPIXPASA-N 445.490 5.175 30 10 IKEE CC(C)c1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(F)cc3F)C2=O)cc1 1862944779 GBXPRZZNSQIXCF-UHFFFAOYSA-N 443.453 5.356 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1 1863027939 NCKKBSICUCCVLE-UHFFFAOYSA-N 441.918 5.534 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccccc2OC)C1=O 1863430544 IERMUCMJTZTPJA-HXUWFJFHSA-N 431.536 5.118 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2OC(C)C)=C(c2cccs2)C1=O 1863475398 FDEHHTGAFUXOJW-UHFFFAOYSA-N 440.609 6.088 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(Cl)c(Cl)c2)C(=O)N(CC)C1=O 1863633038 IKTPHYVFNYJGFH-UHFFFAOYSA-N 425.400 5.824 30 10 IKEE CCCCCCCCN1C(=O)C(NCC(C)C)=C(c2cc(Cl)ccc2Cl)C1=O 1863730156 ONMSJWUQKQYYOL-UHFFFAOYSA-N 425.400 5.679 30 10 IKEE COc1ccc2c(c1)[C@H](c1ccccc1)N(c1cc(Nc3ccccc3C#N)nc(C)n1)CC2 1868490464 JMBSGLFWXOPLMU-NDEPHWFRSA-N 447.542 5.561 30 10 IKEE COc1ccc([C@@H]2c3ccccc3CCN2c2cc(Nc3ccc(C#N)cc3)nc(C)n2)cc1 1868496699 HRGMEMGHXJEOQE-MUUNZHRXSA-N 447.542 5.561 30 10 IKEE CCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CSCc1ccccc1 1870236111 XFYBFIDLENCTBI-UHFFFAOYSA-N 429.670 7.067 30 10 IKEE C#CCOc1cn(CCCCCC)c(CN(Cc2ccccc2)Cc2ccccc2)cc1=O 1870561712 ZPDSBBWOAOYLPJ-UHFFFAOYSA-N 442.603 5.643 30 10 IKEE C=CCOc1cn(Cc2ccco2)c(CNc2ccc(Cc3ccccc3)cc2)cc1=O 1870811068 GCOTUENIPCDOSK-UHFFFAOYSA-N 426.516 5.257 30 10 IKEE Cc1ccc(C)c(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2Cc2ccco2)c1 1871253627 DVQDUWLLKWNUQZ-UHFFFAOYSA-N 439.515 5.169 30 10 IKEE COc1ccc([C@H](C)N2COc3ccc4c(c3C2)O/C(=C\C=C\c2ccccc2)C4=O)cc1 1871354656 WUIQXAIKLIITCU-NDWSSNJWSA-N 439.511 5.781 30 10 IKEE COc1ccccc1/C=C1\Oc2c(ccc(OC(=O)CCc3ccc(C)cc3)c2C)C1=O 1871367288 DAIIHAXGZRWULK-JLPGSUDCSA-N 428.484 5.466 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc([N+](=O)[O-])cc4)cc(C)c3C2=O)c1 1871382351 QPLDYTMFUMFJSK-LABNAMAPSA-N 441.439 5.447 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cccc(C)c1)C(C)C)S(=O)(=O)c1c(C)cc(C)cc1C 1872242850 APMXUKKKGUCBPK-HSZRJFAPSA-N 442.625 5.150 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1cc(C)ccc1C 1872252402 NJJHPNUBEKHWPT-HSZRJFAPSA-N 442.625 5.376 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(C)cc1C)[C@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872548436 KNADSHLOUUFLGS-HOYKHHGWSA-N 442.625 5.150 30 10 IKEE N#C[C@@H](C(=O)COc1ccc(Cl)cc1Cl)c1nc(-c2ccc3c(c2)OCO3)cs1 1872773414 NHHKXLGLQAQPAD-ZDUSSCGKSA-N 447.299 5.101 30 10 IKEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(Br)cc3)n2)cc1C 1872783113 RPWNMDFIDQDQRT-SFHVURJKSA-N 425.351 5.608 30 10 IKEE COc1ccc(Cl)cc1C(=O)[C@H](C#N)c1nc(-c2cc(Cl)cc(C)c2OC)cs1 1872786456 KVSPWZMUIGSEPH-INIZCTEOSA-N 447.343 5.933 30 10 IKEE Cc1cc(C)c(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(Cl)c(Cl)c3)n2)c(C)c1 1872786799 SOGLKSVMBNLRRX-UABRLCRWSA-N 441.383 6.932 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2Br)C(=O)N(CCCC)C1=O 1873071228 DMZYBKJPSSLYRF-UHFFFAOYSA-N 435.406 5.279 30 10 IKEE CCCCCCCCNC1=C(c2cc(C)ccc2C)C(=O)N(C2CCCCCCC2)C1=O 1873150885 PBYLWDHSDLFFCK-UHFFFAOYSA-N 438.656 6.446 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCC=C)n1/N=C/c1ccc(Cl)cc1 1874228277 BHEKQSYLCYTMND-BUVRLJJBSA-N 440.956 5.236 30 10 IKEE CCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccccc1OC(C)C 1874229965 KQDRLKMXVGGFBH-ZMOGYAJESA-N 444.988 5.600 30 10 IKEE CCSc1nnc(COc2c(C)cccc2C)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874299500 DNAAZBGBGWFAHR-SSDVNMTOSA-N 445.932 5.030 30 10 IKEE Fc1cccc(CSc2nnc(CCOc3ccccc3)n2/N=C/c2ccccc2)c1 1874344265 FEOSSSZJPZZQTL-YZSQISJMSA-N 432.524 5.213 30 10 IKEE C=CCSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1ccc(OCC)c(OCC)c1 1874399644 AWOOJCMRUYQGMB-UPMNJHNBSA-N 436.581 5.388 30 10 IKEE O=[N+]([O-])c1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2-c2ccccc2)cc1 1874429467 LBYNEHDYLXDPPG-ZVHZXABRSA-N 449.923 5.681 30 10 IKEE C=C(C)CSc1nnc([C@@H]2CCCO2)n1/N=C/c1ccc(OCc2ccc(C)cc2)cc1 1874445784 KPCCQTBPBXCPDT-XQQQEEOESA-N 448.592 5.567 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CCCC2)c1 1874456438 RTTWEBHJBQBKFA-WPWMEQJKSA-N 426.589 6.572 30 10 IKEE CC(C)(C)c1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccc(F)cc1 1874484981 YBJOJBNLXNOIIM-BHGWPJFGSA-N 437.371 6.196 30 10 IKEE Oc1ccc(Cl)cc1/C=N/n1c(SCc2cccc3ccccc23)nnc1C1CCC1 1874497197 ZVQSRBFSNRMYQA-VULFUBBASA-N 448.979 6.232 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2ccc(C(C)C)cc2)c1 1874517081 RKVDPVUIMMPQPX-VULFUBBASA-N 447.608 5.509 30 10 IKEE C[C@H](c1ccccc1)c1nnc(S)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1874561183 HIVOCUREAWXHBP-CIRUFVMISA-N 448.979 5.833 30 10 IKEE CCCNC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(-c2ccccc2)cc1 1874569782 GRDQZLLXZXCPHP-WYMLVPIESA-N 433.935 5.808 30 10 IKEE C=C(C)COc1c(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(Br)cc1OC 1874571730 CTEFVMWNBPVAFI-ZHACJKMWSA-N 441.365 6.188 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(F)cc2F)c1OCC(=O)Nc1cccc(C)c1 1874576234 DLUJAYPPTZRKNQ-FMIVXFBMSA-N 437.442 5.195 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(F)c(C)c2)c1OCc1c(F)cccc1Cl 1874581310 HIQUXFSGWNNRLO-ZRDIBKRKSA-N 428.862 6.410 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)c1OCc1cccc(Cl)c1 1874581930 NMZZBHLTYWQQMG-CSKARUKUSA-N 436.891 5.595 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2)c(C)c1C 1874586572 UBINJPFBJPBQCF-RVDMUPIBSA-N 429.516 5.534 30 10 IKEE Cc1cccc(NC(=O)COc2ccccc2/C=C/C(=O)c2cc(Cl)ccc2Cl)c1 1874591525 PLBMZUYRTWHBJN-FMIVXFBMSA-N 440.326 6.215 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1OCc1ccc(F)cc1 1874592219 SOGPLRCYDUEHFJ-KPKJPENVSA-N 431.290 6.616 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OCc1cccc2ccccc12 1874595127 VNXVSURTOMOWSK-OQLLNIDSSA-N 439.467 6.232 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1OC 1874602810 AETSCXVNISFVKY-GXDHUFHOSA-N 445.559 5.772 30 10 IKEE CCOc1c(Br)cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc1OC 1874634174 OMSTXJNAXIKUEQ-VOTSOKGWSA-N 439.733 5.723 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 1874635290 JZHNCAZUGXHEGZ-SDNWHVSQSA-N 429.516 6.676 30 10 IKEE C=C(C)COc1c(Cl)cc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)cc1OCC 1874640025 ZLWMYUPDXVGSIH-CSKARUKUSA-N 446.927 5.616 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(C)cc3)c2)cc1 1874695651 MJYFRYZFSPXVNM-GZTJUZNOSA-N 428.528 6.462 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(-n3cccc3)cc2)c1)c1ccc([N+](=O)[O-])cc1 1874697862 DMVOAZJMNFLWCL-GIDUJCDVSA-N 438.439 5.501 30 10 IKEE O=C(CC12CC3CC(CC(C3)C1)C2)Oc1cccc(/C=C/C(=O)c2cccc(Cl)c2)c1 1874699301 OBNAAKFXEOKSPT-BQYQJAHWSA-N 434.963 6.748 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(Br)cc2)c1)c1ccc(F)cc1 1874708414 BOCODUPQKAWKOZ-YIXHJXPBSA-N 425.253 5.704 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cccc(OC(=O)c2cccc3ccccc23)c1 1874713288 OZPWTQCLASYKCO-CCEZHUSRSA-N 436.507 6.581 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C2CCCC2)c([N+](=O)[O-])c1)c1cccc(Br)c1 1875115826 XJOKPVSVENNNPJ-CSKARUKUSA-N 444.281 5.349 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)c1cncc(C)c1 1875125862 DXMXXIZDPHVNSE-RUDMXATFSA-N 437.879 5.176 30 10 IKEE CCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1Br 1875135285 JOHQKVBGFMOSTH-XVNBXDOJSA-N 428.109 5.967 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)Cc1cccs1 1875138233 QMMACOLZVSQBPQ-MDZDMXLPSA-N 436.529 5.426 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(OC)ccc2OC)cc1Cl 1875145590 ODIPBURDEYQCSF-FMIVXFBMSA-N 430.928 6.129 30 10 IKEE O=C(CCCOc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1 1875150519 QYVGQSUIINPHDB-GXDHUFHOSA-N 430.456 5.076 30 10 IKEE Cc1cccc(C)c1OCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1 1875157812 PPPHOEUKKFCJDB-LICLKQGHSA-N 432.491 6.103 30 10 IKEE CCc1ccc(C(=O)Oc2c(OC)cc(/C=C/C(=O)c3ccc(F)cc3)cc2OC)cc1 1875158401 UORHGMXUOXSRPB-VGOFMYFVSA-N 434.463 5.521 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc1OCC 1875181478 IPVMHNYUBDLVNR-PKNBQFBNSA-N 430.928 6.047 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)Cc1ccccc1 1875183739 QHQHYAZHAHWTPV-ACCUITESSA-N 428.528 6.055 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1)c1cccc([N+](=O)[O-])c1 1875191546 RGAFDEXPPFXJBT-IZZDOVSWSA-N 442.254 6.017 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)C2CCCC2)c([N+](=O)[O-])c1 1875193674 VHRYNWDUOBQVEW-RMKNXTFCSA-N 429.856 5.249 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)[C@H](c3ccccc3)C3CCCCC3)cc21 1890670443 COUSOKDCDGQZDP-RUZDIDTESA-N 446.591 5.927 30 10 IKEE O=S(=O)(Nc1cccc(OC(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1891070912 NRMQXYNINZEDOX-UHFFFAOYSA-N 435.292 5.126 30 10 IKEE O=C(NCC#CCN1CCc2ccccc2C1)c1ccccc1-c1ccc(C(F)(F)F)cc1 1891617661 OPHQTYMWKSZHFV-UHFFFAOYSA-N 448.488 5.164 30 10 IKEE CC1(C)CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Br)[C@H](CN)C1 1927159059 HEGIJTXPGKTBHX-YCRPNKLZSA-N 436.394 5.238 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1930159640 UKDAEYTYQFBJDT-YADARESESA-N 429.561 5.011 30 10 IKEE CCCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1scc(Br)c1Br 1930759161 YIEYNKLSTKWGMT-JTQLQIEISA-N 438.185 5.485 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]1[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1978209493 KLORVQYIAGDFMZ-VGSWGCGISA-N 435.952 5.373 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC1CCC(CNC(=O)OC(C)(C)C)CC1)NCC 2015975958 NSDUWVPVKMSCLL-IWAAJCSBSA-N 430.633 5.459 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)cc1 2031670670 UHMVCSUHRAPKCB-FQEVSTJZSA-N 441.503 6.179 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2042148984 NTKSBGNSIFSJGY-CZKAHXPPSA-N 447.551 5.352 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NC)c1c(Cl)ccc(Br)c1F 2058352277 OXYGXHWCXJAHOG-CJNGLKHVSA-N 435.765 5.362 30 10 IKEE CC(C)(C)OC(=O)c1c(C2CC2)nn(-c2cc(C(F)(F)F)cc(F)n2)c1C(F)(F)F 2078878922 MJVJWXIFJTWAGP-UHFFFAOYSA-N 439.331 5.277 30 10 IKEE Cc1ccc([C@H](C2CCC2)n2nc(C(F)(F)F)c(C#N)c2Br)c(F)c1F 2079950623 HSDIQNUMPNIQDA-AWEZNQCLSA-N 434.206 5.512 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](O)Cc2ccc(Cl)c(Br)c2F)C1 2126684651 JMFWMEMHAQFKFX-AWEZNQCLSA-N 448.760 5.006 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)ccc1C 2137751627 HYPBPBWJRXYCRY-RTBURBONSA-N 425.411 5.658 30 10 IKEE CN(c1ccc(C#N)c(Br)c1F)[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2151256246 ACASTNIAOLWDKN-BWTSREIZSA-N 428.349 5.092 30 10 IKEE N#Cc1c(F)cc(Br)cc1NC[C@@H]1CN(Cc2ccccc2)CC12CCC2 2163691243 DWURGAAATPXJRW-QGZVFWFLSA-N 428.349 5.174 30 10 IKEE CCCN(C[C@H]1CCCCN1C(=O)OC(C)(C)C)c1ccc(Br)cc1C#N 2174813642 YOISYLMZQKUNCW-GOSISDBHSA-N 436.394 5.327 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](Cc2cccc(Br)c2C)NCCC)C1 2197755428 SOXLYJQMFSIPOM-IBGZPJMESA-N 437.422 5.282 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCCC)c2cccc(Br)c2C)C1 2203691091 HHPDCQZCUAZXHO-LJQANCHMSA-N 437.422 5.659 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C1 2214838218 PKBPMTONTFRIDI-HKARXFIJSA-N 449.617 5.413 30 10 IKEE C=CCCCCC[C@@H](N)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229135459 SQWHFEDYHGRAAA-MOPGFXCFSA-N 425.411 5.349 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1sc(C)c(C)c1Br 2229305711 AAINOLHXMAHDFQ-RDJZCZTQSA-N 445.467 6.028 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1Cc2ccc(Nc3ccc(C#N)cc3Br)cc2C1 2234126494 MCJFHONNHYHJTP-KRWDZBQOSA-N 428.330 5.056 30 10 IKEE CCC[C@@H](CCNC(=O)OC(C)(C)C)CC[C@H](O)C#Cc1ccccc1Br 2235738820 CVEGIMUDGXAERW-MJGOQNOKSA-N 438.406 5.273 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(CC[C@H](N)C#Cc2ccccc2Br)cc1 2235746906 LXPKMEDEWVIYPQ-SFHVURJKSA-N 429.358 5.108 30 10 IKEE C#CCCC[C@H](NCCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237408122 AMUPDCCTHBNGTI-PMACEKPBSA-N 437.422 5.057 30 10 IKEE C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2255544181 VGAWHHHJRGMFCP-QGZVFWFLSA-N 439.792 5.080 30 10 IKEE CCCN1C(=O)C(=Cc2ccc(-c3cccc(C(=O)O)c3)o2)SC1=Nc1ccccc1 2293201994 GNSUQQQKHUNDIX-UHFFFAOYSA-N 432.501 5.659 30 10 IKEE C[C@@]12CC[C@@]3(C)[C@@]4(C)CC(=Cc5cccnc5)C(=O)[C@@]4(C)CC[C@]3(C)[C@@]1(C)CC[C@H](O)C2 2294712160 KJQCPCBMQUPVPN-SBLJKQFISA-N 435.652 6.608 30 10 IKEE Cc1ccc(N=C2SC(=C3Sc4ccccc4N3C)C(=O)N2c2ccc(O)cc2)cc1 2295203787 BVJSFNFFKGSJEW-UHFFFAOYSA-N 445.569 5.879 30 10 IKEE CCN[C@@H](C#Cc1cccc(Br)c1)CCC[C@@H](CC)NC(=O)OC(C)(C)C 2296227038 LIYONJBABDNIMP-WOJBJXKFSA-N 437.422 5.252 30 10 IKEE C=CCOc1c(Cl)cc(C=C2SC(=S)N(Cc3cccnc3)C2=O)cc1OCC 2297559718 CECUMLHDOIRQEK-UHFFFAOYSA-N 446.981 5.100 30 10 IKEE COc1cc(C=NNc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1Cl 2318413659 RSUGIELDGWCWDX-UHFFFAOYSA-N 435.738 6.680 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1cn(CC)c2ccccc12 2318571226 FWCPHOBPUFYGMO-UHFFFAOYSA-N 445.636 6.387 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(S)n1N=Cc1ccc(OCc2ccc(F)cc2)cc1 2321962093 KRVZITZOUWBGPJ-KRWDZBQOSA-N 432.524 5.319 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2ccccc2C)cc1 2322371154 KKGISCBWRPISPU-UHFFFAOYSA-N 429.516 5.480 30 10 IKEE CCOc1ccccc1C=C1Oc2c(cc3c(c2C)OCN([C@H]2CCCC[C@@H]2C)C3)C1=O 2322391865 YTTICJALBRWRHW-JTSKRJEESA-N 433.548 5.741 30 10 IKEE COc1cccc(C=CC(=O)c2cc(C)ccc2C)c1OCc1ccc(Cl)c(Cl)c1 2322617613 LEIVELHWMYNJMT-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE COc1cc(C=NNc2cccc(C(=O)O)c2)ccc1OCc1ccc(C(C)(C)C)cc1 2322922951 PKDLDSNPXLUYRM-UHFFFAOYSA-N 432.520 5.716 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCc3c(F)cccc3Cl)c2)cc1OC 2323060068 DJMWIQRQCYIFQN-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE CCOC(=O)c1ccc(COc2cc(C=CC(=O)c3ccccc3Cl)ccc2OC)o1 2323087180 OXSFIOZXQSIDMA-UHFFFAOYSA-N 440.879 5.593 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3c(C)cccc3C)c2)cc1 2323094372 PNSOOXFYQWCYJO-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4C)ccc3C2=O)cc1 2323260515 QDOSKBBWKBKTJU-UHFFFAOYSA-N 429.428 5.301 30 10 IKEE Cc1cc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2sccc2C)C3=O)ccc1[N+](=O)[O-] 2323280294 ZQHBEJWUVJFEPF-UHFFFAOYSA-N 435.457 5.417 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)cc1[N+](=O)[O-] 2323331915 BELMBYYLSYRKRT-UHFFFAOYSA-N 433.391 5.186 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc2c(c1)OC(=Cc1cccc(Br)c1)C2=O 2323485305 OGCAPRBCLACVBM-UHFFFAOYSA-N 441.321 5.941 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1Cl 2323683581 KOPHEMSMJANESY-UHFFFAOYSA-N 437.879 6.122 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OC(=O)CCc4cccs4)cc(C)c3C2=O)cc1 2323983485 NAXMYCKGKZJSDU-UHFFFAOYSA-N 434.513 5.610 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2Cl)Oc2c1ccc(O)c2CN1CCCC[C@H]1CCO 2324140491 ZIUNSPDLCVRGKR-INIZCTEOSA-N 448.346 5.052 30 10 IKEE Cc1cccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccc(C)c(Cl)c4)ccc3C2=O)c1 2324352242 WHSVIXHJYOSACR-KRWDZBQOSA-N 447.918 5.979 30 10 IKEE Cc1ccccc1OCCCCOc1cc(C)c2c(c1)OC(=Cc1ccc(F)cc1)C2=O 2324598815 IZHAIGFCWVPGBM-UHFFFAOYSA-N 432.491 6.297 30 10 IKEE CC(C)(C)c1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc([N+](=O)[O-])cc3)n2)cc1 2324612214 QYJKDUUQZCLHFA-FQEVSTJZSA-N 431.517 5.905 30 10 IKEE CCc1ccc(OCCCOc2cc(C)c3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1 2324662312 VKISNKCVJNHNDM-UHFFFAOYSA-N 432.491 6.161 30 10 IKEE CCOc1c(Br)cc(C=CC(=O)c2cc(Cl)ccc2OC)cc1OC 2324706301 MHZWNOYWMUMBTN-UHFFFAOYSA-N 425.706 5.415 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(N(C)C)cc1 2325571614 QGTNVRBJUDQOIU-UHFFFAOYSA-N 448.423 5.778 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(OC(C)=O)cc3)c2)cc1 2325739457 UGHSFVFNJNQOHR-UHFFFAOYSA-N 444.483 5.516 30 10 IKEE CCOc1ccc2ccccc2c1C=Nn1c(C)nnc1SCc1ccc([N+](=O)[O-])cc1 2326810014 GLBNGTWAIIZZBR-UHFFFAOYSA-N 447.520 5.221 30 10 IKEE CCCOc1ccc(C=Nn2c(COc3ccccc3OC)nnc2SCCC)cc1 2328298231 PMOLFQHBLPGIEG-UHFFFAOYSA-N 440.569 5.039 30 10 IKEE CCCSc1nnc(COc2c(C)cccc2C)n1N=Cc1ccc(Cl)c(Cl)c1 2328559608 XUURBCIBCVHABZ-UHFFFAOYSA-N 449.407 6.165 30 10 IKEE COc1cccc(CCc2nnc(SCc3ccccc3C)n2N=Cc2cccs2)c1 2328607728 MTMFAXBICURXFJ-UHFFFAOYSA-N 448.617 5.616 30 10 IKEE Clc1cccc(CSc2nnc(-c3ccccc3Cl)n2N=Cc2cccs2)c1 2329611375 ZHBPBQXAJBRPME-UHFFFAOYSA-N 445.400 6.488 30 10 IKEE CCc1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCc2ccc(C)cc2)cc1 2329798912 SXDFBLVOIWXCCA-UHFFFAOYSA-N 444.579 6.053 30 10 IKEE Cc1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCc2ccc(F)cc2)cc1 2329812441 LHTUPYHEMZTHNW-UHFFFAOYSA-N 434.515 5.630 30 10 IKEE COC(=O)c1ccc(OCCCON=C(c2ccc(-c3ccccc3)cc2)C2CC2)cc1 2330316913 ZIDIQGVRAJSUAG-UHFFFAOYSA-N 429.516 5.740 30 10 IKEE Cc1ccccc1CSc1nnc(-c2cccs2)n1N=Cc1ccccc1C(=O)O 2330537313 BIOIIYXCPWHSGL-UHFFFAOYSA-N 434.546 5.188 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)C=Cc1ccc([N+](=O)[O-])cc1 2330583123 IOHUIPQYPQMNPK-XMMPIXPASA-N 431.577 5.150 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(OC(C)=O)cc3)c(Cl)c2)cc1 2330743840 DKJJVANOQXTXLY-UHFFFAOYSA-N 448.902 5.943 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)cc([N+](=O)[O-])c1OC(=O)c1ccncc1 2330761557 MAAYDHZEHXQJND-UHFFFAOYSA-N 446.459 5.066 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3ccccc3C(C)C)cc2)cc1 2331259337 RAGRIBMGTGTKBL-UHFFFAOYSA-N 442.555 6.779 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)Cc1ccc(F)cc1 2331286837 OUQCEUINWJWCAK-UHFFFAOYSA-N 444.502 5.915 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCO4)cc2)cc1 2331434187 HHYJNKNZZNIFKP-UHFFFAOYSA-N 428.484 5.828 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(CC(C)C)n2N=Cc2sccc2C)cc1 2331437962 YRKUUWOBXBWWGC-UHFFFAOYSA-N 441.626 5.022 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)cc3)c(OC)c2)cc1F 2331467456 UCIXGFDYETWOCT-UHFFFAOYSA-N 434.463 5.196 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)cc2)c1 2331644736 RBVZKMUUTJWBJB-UHFFFAOYSA-N 442.555 6.363 30 10 IKEE COc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C(C)C)c(OC)c1 2331708500 SNZMKRHPQYOUCS-UHFFFAOYSA-N 430.961 5.247 30 10 IKEE CC(C)(C)c1ccc(-n2nnc(C#N)c2NC(=O)C=Cc2ccc(Cl)c(Cl)c2)cc1 2332188734 UGEZSFXNFPGYRL-UHFFFAOYSA-N 440.334 5.395 30 10 IKEE CC[C@H](CCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)CNC(=O)OC(C)(C)C 2339580370 BRNPYRAGYRPSDU-QIXNEVBVSA-N 446.397 5.046 30 10 IKEE CC(C)(C)OC(=O)N[C@@]1(C)C[C@H]2CC[C@H]1C[C@@H]2Nc1ccc(C#N)c(Br)c1 2380857810 YUIIDYXPKUQZAW-YCNDBHRSSA-N 434.378 5.205 30 10 IKEE C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 5037459 FVWJYYTZTCVBKE-RZSDUKAVSA-N 442.728 6.997 30 10 IKEE O=C(CSc1n[nH]c(NN=C2CCCCCC2)n1)N(C1CCCCC1)C1CCCCC1 20837785 RPPBDQYWODCUHV-UHFFFAOYSA-N 446.665 5.513 30 10 IKEE COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(SC)cc2)c1 20886368 AHSPAJMDKOYKAJ-UZTOHYMASA-N 442.584 6.397 30 10 IKEE COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)ccc1O 21247571 ZKTIAAKGVWHPFA-MRDQGFSESA-N 446.934 6.034 30 10 IKEE Cc1ccc(NC(=O)[C@@]23CC[C@@](C)(/C(=N/OC(=O)c4ccc(Cl)cc4)C2)C3(C)C)cc1 33960648 CSKIRTNFWLXTSX-OVZGRCFESA-N 438.955 6.016 30 10 IKEE C=CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C(C)C 36345867 FVSAQSHNHLOKBT-DEOSSOPVSA-N 449.595 5.055 30 10 IKEE C=CCn1c(SCc2ccc(C(=O)Nc3ccccc3)cc2)nnc1-c1cccs1 39850647 BLMFGUXPKHRKLZ-UHFFFAOYSA-N 432.574 5.737 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(CC)cc2)S/C1=N/c1nc(-c2ccccc2)cs1 39865918 SPUYATCJABKXOT-SYUAUQEVSA-N 431.586 6.163 30 10 IKEE COc1ccc(C)cc1NC(=O)c1oc2c(c1C)/C(=N/Nc1ccc([N+](=O)[O-])cc1)CCC2 40814695 FUKVIKIRADCEJU-OVVQPSECSA-N 448.479 5.218 30 10 IKEE Oc1cccc(/C=N/c2ccc(Cc3ccc(/N=C/c4cccc(O)c4O)cc3)cc2)c1O 59508075 WVUOUEYVWFMKKO-LPHFKDDMSA-N 438.483 5.601 30 10 IKEE C=CCn1c(S[C@H](C)c2nnc(C(C)C)o2)nnc1-c1ccc(Br)cc1 59877940 YWRJXOZDDRFRHP-GFCCVEGCSA-N 434.363 5.253 30 10 IKEE CCCCCCCOc1ccc(NCC(=O)Nc2cccc(NC(=O)C3CC3)c2C)cc1 100077911 SUTAVLPRRHHXOD-UHFFFAOYSA-N 437.584 5.743 30 10 IKEE CCN1C(=O)/C(=C/c2cc(Br)ccc2OC)S/C1=N/c1ccc(OC)cc1 101080896 PWIIMESHJDHVBA-CFDZAGTRSA-N 447.354 5.090 30 10 IKEE CCCCCCCCCCCCCCCCn1c(CNC(=O)C2CC2)nc2ccccc21 102122836 CUQXYZWVZGPTFL-UHFFFAOYSA-N 439.688 7.544 30 10 IKEE CCCCCCCC(=O)N1CCCN(c2nc(C)nc(CC)c2Cc2ccccc2)CC1 102992200 DSOAEGFXJHEDBD-UHFFFAOYSA-N 436.644 5.337 30 10 IKEE CCCCCCCCCN1C(=O)[C@@H](C)Oc2ccc(-c3csc(-c4ccccc4)n3)cc21 103748500 LHXBODXFZBKVIU-HXUWFJFHSA-N 448.632 7.342 30 10 IKEE COc1ccc(/C=C\C(=O)c2ccc3c(=O)n4c5ccccc5nc4c4cccc2c34)cc1 104465620 CECPEMGYAMJPBD-WJDWOHSUSA-N 430.463 5.497 30 10 IKEE CCOc1c(Br)cc(/C=N/Nc2ccc(OC)cc2)cc1Br 169885525 YSFZEUKGIKBPHL-VXLYETTFSA-N 428.124 5.065 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2ccc(C)cc2)cc1 169925394 LGUAWGNKMFLYTR-SANMLTNESA-N 449.506 5.940 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2cccc(F)c2)c1 169928903 WTJTULZSQPNVDK-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@H](c2cc(Cl)c(OC(C)C)c(Cl)c2)NC(=S)N1C 169935533 MAYWYWJRDIPHSO-IBGZPJMESA-N 449.403 5.799 30 10 IKEE CCOc1ccc(/C=N\Nc2nc(-c3ccc(OC)c(OC)c3)cs2)c(OCC)c1 169943104 NCVTZGNWYNUSDF-QRVIBDJDSA-N 427.526 5.071 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(OC(C)C)c2)cc1C 169981556 QYBVTVOOQWSCMB-DEOSSOPVSA-N 449.547 5.312 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccs2)cc1 169985059 UYMHQGUPNMFQKQ-FQEVSTJZSA-N 439.920 5.583 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@H]2c2ccccc2)cc1 170050534 IDONJYHIYOOVAC-NRFANRHFSA-N 437.854 5.271 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2c[nH]c3ccccc23)cc1C 170078240 NLXMXIFBTPAHAN-XMMPIXPASA-N 428.532 5.696 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2cccc(O)c2)cc1C 170079804 WIPHRGHLXSIKBN-JOCHJYFZSA-N 435.426 5.070 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2c2ccccc2)c1 170118012 SVSDPNAPJAGFTH-QFIPXVFZSA-N 449.890 5.140 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccc(N(CC)CC)cc1 170138608 CZLOFDZUJJOZSF-HSZRJFAPSA-N 431.536 5.002 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccn2)cc1C(C)(C)C 170173035 ZTVQDKMDSODHFM-HSZRJFAPSA-N 442.515 5.171 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C(C)(C)C)ccc3C)[C@@H]2c2ccncc2)cc1 170204554 POUHGSSHFDZZDC-DEOSSOPVSA-N 440.543 5.779 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccccc2)cc1C 170225099 IPMUJBDGMKOLCB-VWLOTQADSA-N 441.527 5.874 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccccc1)c1cc2ccccc2o1 170226506 XDAKJZQGVQEFAR-QFIPXVFZSA-N 429.859 5.869 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1ccc(Cl)cc1 170236075 ZZOFZKWUAPXQGT-OAQYLSRUSA-N 427.928 5.506 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(Cl)cc2)cc1C 170237190 ILXXGVAHZNINLD-QFIPXVFZSA-N 439.939 5.486 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccc2C)cc1C 170270936 ZCOXLMRWLKUIGG-XMMPIXPASA-N 445.490 5.624 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1ccccc1C 170271422 FFSVDEQLGGDSRK-DEOSSOPVSA-N 441.527 5.712 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccco1)c1cc2cc(Cl)ccc2o1 170279864 XWBGSZZJSMRADY-IBGZPJMESA-N 439.876 5.519 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4cc(C)cc(C)c4)[C@@H]3c3ccco3)oc12 170282798 ZSOQUYKHJITDCS-JOCHJYFZSA-N 443.455 5.434 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2sccc2C)c1 170314168 AYADEQMHVRHYQR-NRFANRHFSA-N 433.529 5.547 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]1c1ccc(C(C)(C)C)cc1 170470170 DAGOOSYAHRLISL-NRFANRHFSA-N 439.983 6.461 30 10 IKEE N#Cc1ccc(Br)cc1Nc1c(Br)cccc1Br 232130132 VYPNALHPKGGWFB-UHFFFAOYSA-N 430.925 5.589 30 10 IKEE O=C(Oc1ccc(C=Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)cc1)c1ccco1 252631989 VNTJKZNWCYVSFE-UHFFFAOYSA-N 442.858 6.711 30 10 IKEE Cc1ccc2c(c1)S/C(=C1/C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]3(C)C1=O)S2 254453282 YMDSWPZYGHRYGY-IHKDLWIASA-N 438.702 8.016 30 10 IKEE O=C(Nc1ccccc1)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C(=Nc2ccccc2)S1 254498472 XZVFPPHQPOQPAP-JOCHJYFZSA-N 447.535 5.029 30 10 IKEE Cc1nc(NC2CCN(c3ccc(C#N)cn3)CC2)c2c(-c3ccccc3)csc2n1 301141823 GJXZTHPTIOWFEO-UHFFFAOYSA-N 426.549 5.014 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccncc2)cc1Cl 526521716 NUKVAXHFYANJMR-JOCHJYFZSA-N 431.879 5.063 30 10 IKEE CCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1cccc(Cl)c1Cl 526811168 CVRSZWIVGNAHKU-YVNNLAQVSA-N 425.772 5.975 30 10 IKEE CCCCCCCOc1ccccc1/C=N\n1cnnc1SCc1cccc(Cl)c1 526812421 UNAAZHCTATWOEM-QQXSKIMKSA-N 443.016 6.455 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1ccccc1[N+](=O)[O-] 526814153 ALVHFRMAPJDFIT-FBHDLOMBSA-N 436.324 5.230 30 10 IKEE CCc1nnc(SCc2ccccc2Cl)n1/N=C\c1cc(Cl)c(O)c(Cl)c1 526817269 ZFVSTVTZWOMEPT-AFPJDJCSSA-N 441.771 5.681 30 10 IKEE Cc1cccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2cc(C)ccc2C)c1 526820171 XGYLEAJLFUUBQV-PKAZHMFMSA-N 426.589 5.969 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1sccc1C 526824181 OLCIFSGJDWWBIC-FBHDLOMBSA-N 425.410 6.082 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(CCCC#N)c2cccc3cccnc23)cc1 586231897 XKRJMQBORAUDAU-UHFFFAOYSA-N 435.593 5.857 30 10 IKEE CCCCc1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(OCC)cc2)cc1 586254539 VHJIXFVQAYIGMI-UHFFFAOYSA-N 448.588 5.695 30 10 IKEE Clc1ccccc1COc1ccccc1C=NNc1nc(SCc2ccccc2)n[nH]1 1084011317 XLCWUVOXXHLUHP-UHFFFAOYSA-N 449.967 5.775 30 10 IKEE COc1ccccc1C/N=C(/Nc1cc(-c2ccccc2)ccc1O)N1CCCC[C@@H]1C 1088684451 WTAFENDPSLGYFU-FQEVSTJZSA-N 429.564 5.910 30 10 IKEE Cc1csc(N=C2S/C(=C/c3c(F)cccc3Cl)C(=O)N2C2CCCCC2)n1 1772735978 HZMCVYGBRRXAMC-PWSGBSGUSA-N 435.977 6.181 30 10 IKEE CN1C(=O)/C(=C/c2ccc(Br)o2)SC1=Nc1nc(-c2ccccc2)cs1 1772736085 IGGRKUKPYJPAFI-LCJGLDDCSA-N 446.351 5.399 30 10 IKEE Cc1cccc(N=C2S[C@H](CC(=O)c3ccc(C)c(C)c3)C(=O)N2c2cccc(C)c2)c1 1772759845 AOHBXJPQGZQVQM-RUZDIDTESA-N 442.584 6.329 30 10 IKEE C=CCN1C(=O)[C@H](CC(=O)c2ccc3c(c2)CCCC3)SC1=Nc1ccc(Cl)cc1 1772759978 JGFIFAIDXQQORY-QFIPXVFZSA-N 438.980 5.609 30 10 IKEE N#Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)n(-c3cccc(Cl)c3)n2)cc1 1859385746 FJXFALZOMDPZEE-UHFFFAOYSA-N 433.298 5.970 30 10 IKEE Cc1ccc(Cn2nc(C(=O)Nc3ccccc3C#N)cc2-c2ccc(Cl)cc2)cc1 1859386899 KEBCJMPNJPJVOG-UHFFFAOYSA-N 426.907 5.684 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)c1cccc(Br)c1 1861333322 MSUKHSKIBAZOSH-IBGZPJMESA-N 425.411 5.214 30 10 IKEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)CCCOc1ccccc1Cl 1861703317 LGDDBNAHRVHQMI-UHFFFAOYSA-N 439.040 5.651 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)c1cc(Cl)ccc1Cl 1861760270 KFLMOGNWYZHLBI-FQEVSTJZSA-N 429.432 6.149 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C2CC2)c1 1862384102 OXMXGXZUUKDUJR-IBGZPJMESA-N 432.303 5.133 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1cccc(C)c1 1862412471 FMISRCPRZVKFFK-QHCPKHFHSA-N 449.453 5.060 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(C)cc1 1862429719 SYCLWJCATYRLCS-XXBNENTESA-N 439.983 6.586 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1Cl 1862452037 SJCMIACEUYJLAW-BBATYDOGSA-N 438.738 6.024 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccc(O)cc1)c1c(F)cc(F)cc1F 1862457226 LJZOWALNDMHQAH-NRFANRHFSA-N 445.437 5.111 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862480515 INMNRVPHZWMRDY-HXOBKFHXSA-N 442.471 5.243 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCc2ccccc2)cc1 1862507325 JATNRFKWMQQVCI-XMMPIXPASA-N 429.491 5.264 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccccc2Cl)cc1 1862507420 KXTGZXNSVGBZIO-HSZRJFAPSA-N 449.909 5.874 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2Cc2cccnc2)c1 1862612806 APBJXFVOVLFMDR-DEOSSOPVSA-N 440.543 5.466 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(F)cc1F 1862661125 PBKFVUFUYGFBKZ-QFIPXVFZSA-N 427.491 5.857 30 10 IKEE N#Cc1ccc(NC2=C(c3ccccc3Cl)C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 1863070936 NHSVEFMVFKPJJX-UHFFFAOYSA-N 434.282 5.262 30 10 IKEE CC(C)COc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3cccs3)C2=O)cc1 1863106115 WVRXDHAUNRBGIL-UHFFFAOYSA-N 443.528 5.051 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(OC(C)C)cc2)=C(c2cccs2)C1=O 1863474493 ZZCFOLJLOAQYQN-UHFFFAOYSA-N 440.609 6.088 30 10 IKEE CCCCCCCCNC1=C(c2ccc(F)cc2)C(=O)N(Cc2ccccc2OC)C1=O 1863503686 WJTPHOYIMYKBCL-UHFFFAOYSA-N 438.543 5.065 30 10 IKEE CCCCc1ccc(-n2nnc(C#N)c2NC(=O)COc2ccc(C)cc2C(C)(C)C)cc1 1870145054 RAMSDLXNGSYXSE-UHFFFAOYSA-N 445.567 5.105 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2C)c(=O)cc1CSc1ccccc1 1870171737 WCXHMYAAPIGZHX-UHFFFAOYSA-N 449.660 7.389 30 10 IKEE Cc1cccc(CN2COc3cc(C)c4c(c3C2)O/C(=C\c2ccc3c(c2)OCO3)C4=O)c1 1871348206 YCDIWDYAEUYQIH-MYKKPKGFSA-N 441.483 5.000 30 10 IKEE CC(=O)Nc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)c1 1871365169 QBAXZTSQELDHNX-UUYOSTAYSA-N 433.847 5.134 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)c4cccc5ccccc45)cc(C)c3C2=O)cc1 1871378113 VSFUYPCRJLBZIQ-QQXSKIMKSA-N 434.491 6.546 30 10 IKEE Cc1cc(O)c(CN2CCCc3ccccc32)c2c1C(=O)/C(=C/c1cccc(Cl)c1)O2 1871395599 XROVCHQGRKKBAD-UCQKPKSFSA-N 431.919 5.923 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871408314 RICAIUORDLTZIM-UJXCTMEXSA-N 425.484 5.573 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccccc4C)c3C)C2=O)cc1 1871409833 SPEHAOQULWMWMD-LIAPLOTISA-N 441.527 5.888 30 10 IKEE CCCC[C@@H](Oc1cc(C)c2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O)C(=O)O 1871423558 VBWLAWZAYJRUDL-HPKGMJOESA-N 435.303 5.940 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCc4cccc(Oc5ccccc5)c4)ccc3C2=O)cc1 1871436805 QPDIXJPYQLREGT-QRQIAZFYSA-N 434.491 6.983 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1cc(C)ccc1C 1872244135 ACNLDBCJYSQIEB-QHCPKHFHSA-N 442.625 5.232 30 10 IKEE C=C(C)CN([C@@H](CC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872516353 OHHQDEPACPNSEH-QHCPKHFHSA-N 442.625 5.213 30 10 IKEE CCOc1ccc(-c2nc(C3=C(N)N(c4ccccc4OC(C)C)CC3=O)sc2C)cc1 1872726073 IVUOUNSYKUSVNE-UHFFFAOYSA-N 449.576 5.021 30 10 IKEE N#C[C@H](C(=O)CCCOc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2)cs1 1872767154 UFGZMVOYZRWIKR-GOSISDBHSA-N 431.344 6.152 30 10 IKEE CC(C)c1ccc(-c2csc([C@@H](C#N)C(=O)C(c3ccccc3)c3ccccc3)n2)cc1 1872774783 BQVSTBOMALXNRF-DEOSSOPVSA-N 436.580 6.942 30 10 IKEE CCc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2cc(C(C)(C)C)ccc2OC)cs1 1872777328 LDZGYPBTZLSEBN-HXUWFJFHSA-N 448.588 5.934 30 10 IKEE N#C[C@H](C(=O)c1ccc(Cl)cc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872779630 NNFOMQLAHXWIIN-OAQYLSRUSA-N 430.916 6.746 30 10 IKEE Cc1cc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)s3)cs2)cc(C)c1Cl 1872789477 KEJUCFJQOWMPRG-ZDUSSCGKSA-N 437.373 6.051 30 10 IKEE CCCCCCCCNC1=C(c2cccc(OC)c2)C(=O)N([C@@H]2CCCC[C@@H]2C)C1=O 1873048171 RFZMDSIMOCBWED-SIKLNZKXSA-N 426.601 5.304 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(Nc3ccccc3)cc1)n2C 1873655997 HKNMOCFQHJTSIS-UHFFFAOYSA-N 438.535 5.143 30 10 IKEE CCCCCCCCCCNC(=O)c1cn(-c2cccc(OC)c2)c(=O)c2ccccc12 1873936705 OMIHEEWDWKWKTA-UHFFFAOYSA-N 434.580 5.870 30 10 IKEE CCCCCCCCCCNC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1 1873937094 YJRDQDDCVLYXBJ-UHFFFAOYSA-N 427.441 6.916 30 10 IKEE C=CCSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1cccc(O)c1 1874206477 DNDUJXXYCPVZFU-SSDVNMTOSA-N 435.336 5.030 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccc(F)cc1F 1874214456 MWFARGSPZLXYLN-AFUMVMLFSA-N 448.926 5.382 30 10 IKEE C(=N/n1c(Cc2cccc3ccccc23)nnc1SCCc1ccccc1)\c1ccccc1 1874270072 DAIYTUVVVINIEO-XHLNEMQHSA-N 448.595 6.239 30 10 IKEE Fc1ccccc1CSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccco1 1874283434 HKMLQEQYBNIRNY-AFUMVMLFSA-N 440.931 5.623 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1cccc(OCCC)c1 1874287713 SVJZSITXAYQTIB-LGUFXXKBSA-N 440.657 6.691 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccccc3)n2/N=C/c2ccncc2)CC1 1874288149 PUOBJWDHGLQDCB-OVVQPSECSA-N 433.625 6.312 30 10 IKEE COc1ccc(CCc2nnc(SCc3ccccc3C)n2/N=C/c2cccs2)cc1 1874306002 AXRXXWMAXWSUQI-PCLIKHOPSA-N 448.617 5.616 30 10 IKEE Cc1ccc(/C=N/n2c(CCOc3ccccc3)nnc2SCc2cccc(F)c2)cc1 1874344374 KEAHTWBGHCZJAX-WPWMEQJKSA-N 446.551 5.522 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3F)n2/N=C/c2cccc(F)c2)c1 1874373567 LPWUQXSOIGFTER-JFLMPSFJSA-N 434.515 5.630 30 10 IKEE O=[N+]([O-])c1ccccc1/C=N/n1c(Cc2ccccc2F)nnc1SCc1ccccc1 1874375801 NVXZWRKVCMYIAN-MFKUBSTISA-N 447.495 5.091 30 10 IKEE Cc1cccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccc(N(C)C)cc2)c1 1874406741 RJHNXDAANSBBBS-OVVQPSECSA-N 447.652 5.950 30 10 IKEE COc1ccc(OC)c(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2)c1 1874416650 AQVLHNSUDWBOSM-YZSQISJMSA-N 444.560 5.061 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1c[nH]c2ccccc12 1874517512 XNFGMBLHZJXXQM-OPEKNORGSA-N 444.391 6.364 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccc(OC)c(O)c1 1874525714 BYMPRHVJONZPSL-LSHDLFTRSA-N 437.352 5.036 30 10 IKEE CCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1c(OC)ccc2ccccc12 1874527942 LRIRWOGVHRKYSB-AFUMVMLFSA-N 436.968 5.830 30 10 IKEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1ccc2ccccc2c1)Nc1ccccc1 1874571623 XJOYAPWIRMXEJR-WYMLVPIESA-N 441.914 6.407 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1C 1874573854 IKLUWJDJXVRZCX-BJMVGYQFSA-N 427.327 6.786 30 10 IKEE Cc1ccc(C(=O)/C=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)c(C)c1 1874579001 RNZSRDLFTUUVLY-CCEZHUSRSA-N 437.495 6.840 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C)cc2C)c1OCC(=O)Nc1ccc(C)c(C)c1 1874579038 TXMOMCIAPOUBSA-SDNWHVSQSA-N 443.543 5.842 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccccc2OCC(=O)NCc2ccccc2)cc1 1874582060 UGMMSJGBSRENTN-OBGWFSINSA-N 427.544 5.575 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1OCc1ccccc1F 1874593181 WTCPPAFYQWQPJB-GZTJUZNOSA-N 438.498 6.976 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3ccc(Cl)cc3)c2)c(OC)c1 1874598907 LRYCIGAVMPMIPI-WUXMJOGZSA-N 438.907 5.841 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 1874601780 CQWSWIWFVMGMAU-UXBLZVDNSA-N 438.823 5.632 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 1874605563 ULXZJUKTGFQGII-OUKQBFOZSA-N 447.487 5.786 30 10 IKEE O=C(Oc1cccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1)c1ccc([N+](=O)[O-])cc1 1874695696 ONMWXNVZEZEKIH-NYYWCZLTSA-N 442.254 6.017 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OC(=O)c1ccccc1[N+](=O)[O-] 1874697461 YZBTZZWLTBGSPD-ZRDIBKRKSA-N 437.835 5.372 30 10 IKEE CCc1ccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 1874698283 OVXIYYMYUXETJG-MHWRWJLKSA-N 429.472 5.592 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)cc1 1874701416 RRNVNIIPQCHVLY-RIYZIHGNSA-N 431.444 5.417 30 10 IKEE CCCCC1CCC(C(=O)Oc2cc(/C=C/C(=O)c3ccc(C)cc3C)ccc2OC)CC1 1874701420 RTNHHWPQELDJTM-LFIBNONCSA-N 448.603 7.110 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccccc3Cl)c2)cc1Cl 1874716847 LYXBGVUXBLLBSQ-PKNBQFBNSA-N 441.310 6.046 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)c2cccc(Cl)c2)c1 1874717762 CACHJPYTVYKFDJ-CSKARUKUSA-N 427.283 6.117 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc(C)cc(C)c3)c(Cl)c2)cc1 1875106815 LYUQFSOTZPOCCP-UKTHLTGXSA-N 446.974 7.415 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1 1875106968 SVEXZCLDSBVVDF-GZTJUZNOSA-N 443.499 6.361 30 10 IKEE CCCCCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2ccccc2OC)cc1OC 1875118710 KJAWOGJRDURMAW-CCEZHUSRSA-N 426.509 5.484 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC(=O)[C@@H]1CCCO1 1875149145 AXYHQTNCKIVABI-RLMNYEENSA-N 448.559 5.702 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc4ccccc34)cc2)cc1[N+](=O)[O-] 1875153936 GCLQGRWUTBCWGW-FOWTUZBSSA-N 437.451 6.172 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2OC)cc1 1875156746 FNMAXEJUWQOVKX-PJQLUOCWSA-N 430.500 5.943 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3)c([N+](=O)[O-])c2)cc1 1875157272 WOHXDOWHRURHDC-OVCLIPMQSA-N 443.499 6.153 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(F)c3)cc2[N+](=O)[O-])cc1 1875162218 CXAMJROSRVWJQF-VZUCSPMQSA-N 437.398 5.551 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc1[N+](=O)[O-] 1875163165 YOEAHGXSJQDKBR-PKNBQFBNSA-N 439.508 6.027 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)cc3)cc2)c(OCC)c1 1875177572 CUVQOXNBYLYHLT-CXUHLZMHSA-N 448.490 5.667 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)ccc1OC(=O)C(C)(C)C 1875192274 CXXYHSNQYQENIH-SDNWHVSQSA-N 432.516 6.095 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C)NCC 1922054207 INJUDYSVKONXLU-SGNDLWITSA-N 430.633 5.601 30 10 IKEE C=C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)(c1ccccc1)[C@H](F)C(=O)O 1927461564 GSABZIWZUIEFJU-BVAGGSTKSA-N 431.463 5.029 30 10 IKEE CC(C)(C)OC(=O)NCC(C)(C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1939080131 PLFFYMBUQJQPTL-KRWDZBQOSA-N 437.968 5.525 30 10 IKEE O=C(O)CCC[C@@H](CC1(CS)CC1)NC(=O)OCC1c2ccccc2-c2ccccc21 1952078639 BDWUKIOVOOZITL-KRWDZBQOSA-N 439.577 5.249 30 10 IKEE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)c1ccc(Br)cc1C#N 1957284824 XKWWNVQUQDFBIC-UHFFFAOYSA-N 444.373 5.242 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]2CCCCN2C(=O)OC(C)(C)C)c1 2032405309 HQOVMKLHDJKEJL-WOJBJXKFSA-N 445.560 5.118 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2csc(N(C(C)=O)c3ccc(F)cc3F)n2)c1 2040483735 GSRYHTAHKLCQAW-UHFFFAOYSA-N 444.459 5.019 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@@H](CNC(=O)OC(C)(C)C)C1(C)C 2053042393 AZKQHJUWDALFAO-BVZFJXPGSA-N 443.588 5.570 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3)cc2C=CC(=O)c2ccc(F)cc2)cc1OC 2053498635 PGWHMFIDDNVGDA-UHFFFAOYSA-N 428.463 5.592 30 10 IKEE COCCCN1C(=O)C(=Cc2ccc(Cl)cc2)SC1=Nc1ccc2c(c1)CCC2 2053624753 RYMBHTOVCQXSJZ-UHFFFAOYSA-N 426.969 5.469 30 10 IKEE C#CC[C@H](C[C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1)C1CC1 2076108089 UXQQALSOPBRCGQ-WQDFSMHNSA-N 442.644 5.293 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@@]1(C#N)CCN(Cc2ccccc2)C(C)(C)C1 2079238359 NJALBYCEOSTVIC-SANMLTNESA-N 437.559 5.904 30 10 IKEE CC(C)[C@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C2CC2)c(C#N)c1Br 2079986539 PLFFLVCPULTCEY-MRXNPFEDSA-N 430.243 5.798 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Br)c(Cl)c1F 2089288958 LUONDAYGUYHEFL-WMLDXEAASA-N 447.776 5.199 30 10 IKEE Cc1cc(C#N)nc(Nc2cc(Br)c(Br)c(Br)c2)c1 2095445331 GKFMFKFBJACWFO-UHFFFAOYSA-N 445.940 5.293 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Br)c1Cl)NCC 2110495450 PWEXUUAPZOBMIN-IRXDYDNUSA-N 445.829 5.483 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](Nc2cc(Br)c(C#N)cc2F)CC1 2133530293 RZZGAQAOCFHYIH-ZIAGYGMSSA-N 426.330 5.098 30 10 IKEE C=CCN(CC[C@@H](Cc1c(F)ccc(Br)c1F)NCC)C(=O)OC(C)(C)C 2155521903 UIPYRYYALRRLHO-AWEZNQCLSA-N 447.364 5.061 30 10 IKEE CCC1(CC)CCC(C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Br)CC1 2171384192 MXGVFVNIRULXSK-UHFFFAOYSA-N 435.406 6.833 30 10 IKEE Cc1cc(Cl)cc(C)c1Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2172630013 GROHBCGTFNLRJH-UHFFFAOYSA-N 438.558 5.206 30 10 IKEE C[C@@H](c1cccs1)N(Cc1ccccc1)Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2214515299 NXJJIEPBJMRPJX-SFHVURJKSA-N 439.455 5.872 30 10 IKEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1sc(C)c(Br)c1C 2226503512 OFNMJLHNEKIUHP-OAHLLOKOSA-N 444.439 5.271 30 10 IKEE C=CCCC[C@@H](NCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229127111 KGPDOWSXXRZMHZ-MOPGFXCFSA-N 425.411 5.219 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2ccc(C#N)cc2Br)C[C@H]2CCCC[C@@H]21 2240972006 JCOAXYAIIWYEEA-GJYPPUQNSA-N 434.378 5.301 30 10 IKEE N#Cc1cccc(Br)c1Nc1ccc(Cl)cc1I 2257482156 NYWAQJKYNODDOB-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE CCC[C@]1([C@@H](O)C#Cc2ccc(Br)cc2)CCCCN1C(=O)OC(C)(C)C 2296292392 XXZOKIDQBJDCFL-SIKLNZKXSA-N 436.390 5.121 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@H](C)CCCNC(=O)OC(C)(C)C 2296311651 ZSWHPAWFQLSKPY-XLIONFOSSA-N 437.422 5.110 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2Cl)SC(=Nc2ccccc2)N1C1CCCCC1 2296390157 WHAQREIOMFWERS-UHFFFAOYSA-N 431.388 6.930 30 10 IKEE COc1ccc(C=C2Oc3cc(OCc4c(F)cccc4Cl)ccc3C2=O)cc1OC 2296865876 LXMGYQGRPKVZJN-UHFFFAOYSA-N 440.854 5.692 30 10 IKEE O=C(C=Cc1ccc(Br)cc1)c1cc2cc(Br)ccc2oc1=O 2297413745 QBCWNTQANVYTNC-UHFFFAOYSA-N 434.083 5.214 30 10 IKEE C(=Cc1ccccc1)C=Nc1ccc(Cc2ccc(N=CC=Cc3ccccc3)cc2)cc1 2297549123 VEPYLJPVFMGBKU-UHFFFAOYSA-N 426.563 8.109 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OCC(=O)c3ccc(Br)cc3)ccc2C1=O 2314437212 GGUOWMBOYREEKE-UHFFFAOYSA-N 449.300 5.635 30 10 IKEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccc(C(C)C)cc1 2314524347 UDAYPOJMEPTXJK-SANMLTNESA-N 446.591 5.130 30 10 IKEE CN(C)c1ccc(C=C2SC(=Nc3cccc(C(=O)O)c3)N(c3ccccc3)C2=O)cc1 2314546962 AIWJSDCFQQYJSQ-UHFFFAOYSA-N 443.528 5.259 30 10 IKEE Cc1cc(OCc2c(F)cccc2Cl)cc2c1C(=O)C(=Cc1c(F)cccc1Cl)O2 2321805166 ZFPPGEYKKUAICJ-UHFFFAOYSA-N 447.264 6.775 30 10 IKEE Cc1c(OCc2ccc(Br)cc2)ccc2c1OC(=Cc1cccs1)C2=O 2321844730 WMPGYLBCBYNRMP-UHFFFAOYSA-N 427.319 6.014 30 10 IKEE O=C1C(=Cc2ccc(Cl)c(Cl)c2)Oc2c1ccc1c2CN(Cc2ccccc2)CO1 2321978791 VVGJAVLGIBSYKF-UHFFFAOYSA-N 438.310 5.962 30 10 IKEE CCOC(=O)c1ccc(COc2ccccc2C=CC(=O)c2ccc3c(c2)CCCC3)o1 2322328604 FWTZZJAZMOODBN-UHFFFAOYSA-N 430.500 5.810 30 10 IKEE COc1cccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2cc(C)cc(C)c2)c1 2322378797 HXWGHQNCDSAHMS-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2ccccc2F)cc1 2322565411 TXNQKARGFVJNJX-UHFFFAOYSA-N 449.478 5.147 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2c(OCc3cccc(C)c3)ccc3ccccc23)c1 2322659849 WMTNMINFVBDYNZ-UHFFFAOYSA-N 438.523 6.641 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(C)c(C)c2)c1OCC(=O)OCC(C)C 2322894786 IVIMIHUKBCASNA-UHFFFAOYSA-N 430.928 5.440 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2ccccc2C)cc1C 2322899743 ADRPYPOIXRVSJR-UHFFFAOYSA-N 433.935 6.179 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)CCc4ccc(Cl)cc4)cc(C)c3C2=O)cc1 2323114481 LDRFJZFUQMXJHX-UHFFFAOYSA-N 446.930 6.365 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OCc1ccc(Cl)c(Cl)c1 2323279838 XGRCHXGRUNYLSO-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)ccc1OCc1c(F)cccc1Cl 2323647238 TULBUWKFGRLWTQ-UHFFFAOYSA-N 440.898 6.362 30 10 IKEE CCCCCCCCCCN1C(=O)C(=Cc2ccc(Cl)cc2Cl)SC1=S 2323720909 SBDMUJMMGJPSCJ-UHFFFAOYSA-N 430.466 7.335 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3Cl)c(OCC)c2)cc1 2323840358 REFJOSSFICPJPG-UHFFFAOYSA-N 436.935 6.613 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OCC(=O)Nc1ccccc1F 2323985661 SRQNYPXGTXQIBR-UHFFFAOYSA-N 437.442 5.195 30 10 IKEE COc1ccccc1C=C1Oc2cc(O[C@@H](C)C(=O)Nc3ccc(C)cc3)cc(C)c2C1=O 2324375726 DCWFNFCKAADPOE-SFHVURJKSA-N 443.499 5.334 30 10 IKEE C[C@@H](Oc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O)C(=O)Nc1ccccc1Cl 2324389047 YVDRWNYMHHNGDI-CQSZACIVSA-N 437.854 5.501 30 10 IKEE COC(=O)COc1c(Cl)cc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1OC 2324651370 YQLKLJSCCRKAEP-UHFFFAOYSA-N 429.683 5.103 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3cc(OCCOc4ccccc4F)ccc3C2=O)cc1 2324851338 PMMBUIAJDWJGQZ-UHFFFAOYSA-N 432.491 6.197 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCC(=O)N[C@@H](C)c4ccccc4)cc(C)c3C2=O)c1 2325020074 ZPQXHNQMEWTXHO-IBGZPJMESA-N 427.500 5.176 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccc(OCC)c(OC)c1 2325556059 VHYMPDNMDPYDDP-UHFFFAOYSA-N 438.597 5.429 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)CCc3ccccc3C)c2)cc1 2325704884 PRMRVZGNHCPEOW-UHFFFAOYSA-N 428.528 6.000 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1cccs1)C2=O 2325723592 PTFXPTMIIPUIOX-UHFFFAOYSA-N 439.920 5.652 30 10 IKEE CC(C)(C)c1ccc(OCCCC(=O)Oc2cccc(C=CC(=O)c3ccccc3)c2)cc1 2325732728 JWHJXSWQEYKKNC-UHFFFAOYSA-N 442.555 6.645 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccc(C)cc3)c2)cc1 2325738729 FKUVYTOYFHQWKT-UHFFFAOYSA-N 444.527 5.837 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1cccc(OCC)c1O 2326477331 ILQZTNZLFRAXPT-UHFFFAOYSA-N 444.988 5.553 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccc(Cl)cc1 2326525005 RLOIDXSVTBFXCE-UHFFFAOYSA-N 447.391 6.023 30 10 IKEE CCCOc1ccccc1C=Nn1c(CC23CC4CC(CC(C4)C2)C3)nnc1SCC 2326900885 OAFMAVGTSDBZDD-UHFFFAOYSA-N 438.641 5.820 30 10 IKEE CCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccccc1OC(C)C 2327739329 FAOZKPZUKIMZHJ-UHFFFAOYSA-N 430.577 5.804 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(Cl)c(Cl)c1 2329572951 CZTIFBOMJKKJOK-UHFFFAOYSA-N 437.783 6.456 30 10 IKEE COc1ccccc1C=Nn1c(SCc2ccccc2)nnc1-c1ccccc1Cl 2329573763 XQAJAYOPLYRSJU-UHFFFAOYSA-N 434.952 5.782 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC3CCCCC3)n2N=Cc2sccc2C)c1 2330272875 QXFAYBDXUALCTO-UHFFFAOYSA-N 438.666 6.562 30 10 IKEE CCSc1nnc(Cc2ccccc2)n1N=Cc1cccc(OCc2ccccc2)c1 2330473799 LWCPECUJKUVMHA-UHFFFAOYSA-N 428.561 5.442 30 10 IKEE COCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1OC 2330802193 JZRLAHYPQLUTAS-UHFFFAOYSA-N 429.683 5.103 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(C(=O)O)cc1 2330867485 YFPIEMVHMDRWHL-UHFFFAOYSA-N 442.972 5.393 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)ccc1OC(=O)c1ccc(C)c(C)c1 2330979623 LMKGZDJZDDNRRB-UHFFFAOYSA-N 430.500 5.826 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)C3CC3)c(Cl)c2)cc1OCCC 2331109590 AFKWRACWPPTSBS-UHFFFAOYSA-N 442.939 6.129 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(N(C)C)cc1 2331157978 PFTNECWBCSLYDG-UHFFFAOYSA-N 435.907 5.530 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccco3)n2N=Cc2ccc(Cl)c(Cl)c2)cc1 2331167878 KGBZLZMFDUFVNO-UHFFFAOYSA-N 443.359 6.328 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OC(=O)CC1CCCCC1 2331174076 OGEZQZJOQDSVNI-UHFFFAOYSA-N 426.940 6.511 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)c(Cl)c2)cc1 2331266053 UQNWLJREVSEXOO-UHFFFAOYSA-N 434.963 6.666 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCSC)c([N+](=O)[O-])c2)cc1 2331305705 KDSHQTJVTJWKQE-UHFFFAOYSA-N 443.521 5.328 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2C(C)(C)C)cc1 2331382534 DOBXRHVJFDBQCH-UHFFFAOYSA-N 426.561 5.678 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2OC)c1 2331541483 RWBRBVSPQOCSLA-UHFFFAOYSA-N 434.463 5.277 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)cc(OC)c1OC(=O)CCCC 2331630732 LULHJRJELSQXQP-UHFFFAOYSA-N 436.548 6.041 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)ccc1OC(=O)c1cccnc1 2331752245 FULNHOCAYCWBCN-UHFFFAOYSA-N 437.879 5.176 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)cc2)c(C)c1 2331764457 UJNJQSJPVQRLOA-DNQXCXABSA-N 444.958 6.870 30 10 IKEE NCCCO[C@H](C#CC1CC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2337503843 WODRCUBLOBZKMZ-HHHXNRCGSA-N 441.571 5.665 30 10 IKEE O=C(C#C[C@@H]1CC1(F)F)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2341017899 GWGNOFCHEFZTPL-GJZUVCINSA-N 448.465 5.106 30 10 IKEE CCCN[C@H](C#C[C@H]1CC1(C)C)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2365095387 FJXYZUAAXMVWCQ-FUHWJXTLSA-N 435.406 5.886 30 10 IKEE Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(SCCC(C)C)[nH]c(=O)c32)cc1 4793613 FYDPMVYWMHCHNX-LJQANCHMSA-N 437.609 5.417 30 10 IKEE CN(C)C(=S)N1C(=S)N(c2ccccc2)C(=Nc2ccccc2)C1=Nc1ccccc1 18206264 NLFNSWMTPUMXMU-UHFFFAOYSA-N 443.601 5.400 30 10 IKEE O=C1CCCC2=C1[C@@H](c1cccs1)N(C(=O)Nc1ccccc1Cl)c1ccccc1N2 21722344 WUOQABCHMVFLCT-HSZRJFAPSA-N 449.963 6.614 30 10 IKEE C=CCN(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)Nc1ccc(C)c(C)c1 33769278 KLMNTVQMPROKKM-UHFFFAOYSA-N 445.563 5.188 30 10 IKEE COc1ccc(/N=C2/NC(=O)S/C2=C\c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 35485248 GXAHIFZWOVIPMC-ODLFYWEKSA-N 445.327 6.790 30 10 IKEE Cc1c(Cl)cccc1NC(=O)[C@@]12CC[C@@](C)(/C(=N\OC(=O)c3ccccc3)C1)C2(C)C 38288265 RVKPYANTJUSMNC-VPJVKGEQSA-N 438.955 6.016 30 10 IKEE C=C(Br)Cn1c(CCCCCNC(=O)c2ccc(C)cc2)nc2ccccc21 40219238 DZPKDFRHOKROBH-UHFFFAOYSA-N 440.385 5.396 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OC(=O)c4cccs4)cc(C)c3C2=O)c2ccccc21 41283986 IFOMJJCKQGIIIU-MTJSOVHGSA-N 429.497 5.867 30 10 IKEE COc1cccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccc(C)cc2)C4)c1 41646725 AKFZRGHKWPRYLU-CFRMEGHHSA-N 427.500 5.280 30 10 IKEE CC(C)(C)c1ccc(OCCN/C(=N\Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 59501794 YRCKZOQHXIWDDR-UHFFFAOYSA-N 432.524 5.335 30 10 IKEE CCN(CC)c1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1 59720359 ZWQPTVRYNADYKF-OVVQPSECSA-N 431.605 6.476 30 10 IKEE CCCCCCCCCCCCCCCCNCC(=O)Nc1cccc(OCCCC)c1 100055742 KOHNSKXBMXAJMS-UHFFFAOYSA-N 446.720 7.875 30 10 IKEE C=CCOc1ccc(/C=C(\C(=O)c2ccc(OCC)cc2)c2nc3ccccc3o2)cc1 102858043 CEJQCDWBMMEZFJ-PTGBLXJZSA-N 425.484 6.215 30 10 IKEE Cc1cccc(CN2c3ccccc3C(=O)/C(=C\Nc3ccccc3Cl)S2(=O)=O)c1 104402101 SEQQUBIYWOVZHE-HYARGMPZSA-N 438.936 5.135 30 10 IKEE Cc1ccc(COc2ccccc2/C=N/NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 169902690 IKNFKGXBQDSMLN-ZMOGYAJESA-N 449.359 5.193 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 169925484 KPRJMGHGFXAVBC-AREMUKBSSA-N 449.506 5.940 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1Cc1cccs1 169939640 SIJRCPVNDZPVDE-FQEVSTJZSA-N 439.920 5.189 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2cccc(C)c2)cc1 169969340 PXEYUXRMSRSMSO-HSZRJFAPSA-N 447.918 5.830 30 10 IKEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1cccc2ccccc12)c1cccc(Cl)c1 170044676 CTRBGZGZNWCXRV-WMZHIEFXSA-N 447.918 5.251 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2ccco2)cc1 170090989 OISCKLULNCCYCW-HSZRJFAPSA-N 443.499 5.295 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc(OC)c2)c1 170119176 IJAHJMZUMAIUQN-HSZRJFAPSA-N 435.520 5.005 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1C1CCCCC1 170123747 CWWIMQGGLWEBPZ-OAQYLSRUSA-N 425.912 5.260 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccc(C)c2)cc1C 170142268 DGBWEQAOUCRJCH-RUZDIDTESA-N 441.527 5.712 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2cccs2)c(C)c1 170160640 BSHWEUSNQPHQHV-QHCPKHFHSA-N 447.556 5.935 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@@H]1c1cccnc1 170186886 DXPIYHRJHYVWHE-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2ccccc2)c1C 170225982 VGBDEEVEGDOCPP-RUZDIDTESA-N 439.511 5.411 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@H]2c2ccccc2)cc1 170227251 CYEKUBRHNRLIBN-RUZDIDTESA-N 441.527 5.874 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2cccc(O)c2)cc1 170259446 XVOSEIQRBCHYMB-XMMPIXPASA-N 443.499 5.271 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccco2)cc1C(C)C 170287586 OLCPKEXREPZHCI-QHCPKHFHSA-N 431.488 5.503 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccco2)c1 170296661 LJPCCBWTZQFUAQ-QHCPKHFHSA-N 449.478 5.027 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2sccc2C)cc1 170315230 ADOCWEVQGUUAOP-OAQYLSRUSA-N 433.529 5.547 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2sccc2C)cc1C 170316389 RCATYWTXAGUKMW-HXUWFJFHSA-N 437.517 5.135 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1C1CCCCC1 170317610 JFRIIFKURJVHHM-JOCHJYFZSA-N 431.557 6.121 30 10 IKEE COc1ccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2Cc2cccc(C(F)(F)F)c2)cc1 170428098 PGPAOHTXDAKPSW-OAQYLSRUSA-N 447.453 5.225 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]1c1ccc(C(C)(C)C)cc1 170468781 XABVIYSRYORRBR-OAQYLSRUSA-N 439.983 6.461 30 10 IKEE CN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)SC1=Nc1ccc(C(=O)O)cc1 252604367 FZCNCOBZPHSVAO-PNVGRYOSSA-N 438.892 5.532 30 10 IKEE CCCCCOc1ccc(C=NNc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 254341481 CROQEAYCVFSDRH-UHFFFAOYSA-N 437.547 6.221 30 10 IKEE CCOCCN1C(=O)/C(=C/c2c(OC)ccc3ccccc23)SC1=Nc1ccccc1 254594823 VFKLXYWMVBLTJV-CMEWOCMCSA-N 432.545 5.489 30 10 IKEE CCCCN1C(=O)/C(=C2\Sc3ccccc3N2C)SC1=Nc1ccc(OCC)cc1 254742342 VHOWKWWTWXMHIJ-QLMUGPIMSA-N 439.606 5.860 30 10 IKEE Cc1cc(C=NNc2nc3ccccc3[nH]2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 254743727 FMCJYQUNAQUILC-UHFFFAOYSA-N 431.849 6.089 30 10 IKEE Cc1ccc(-c2nc3cc(N=Cc4ccc(OCc5ccccc5)cc4)ccc3o2)cc1C 254772014 UMWQPQQYVDAXMW-UHFFFAOYSA-N 432.523 7.441 30 10 IKEE C=C(C)[C@H]1CC[C@@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@@H](O)CC[C@@]34C)[C@@H]12 256079390 FELCJAPFJOPHSD-AMXZUDFWSA-N 440.712 7.204 30 10 IKEE N#Cc1cc(Br)ccc1COc1ccc(Br)cc1Br 311662107 WPPKNRADUOACDM-UHFFFAOYSA-N 445.936 5.425 30 10 IKEE N#CC[C@H](Nc1ccc(Br)c(I)c1)c1ccccc1 394050807 PFFOWNNEHYIASO-HNNXBMFYSA-N 427.083 5.121 30 10 IKEE C=C(COC(C)C)[C@H](NCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 407126562 MSGDLYGEXYJEHU-SFHVURJKSA-N 427.383 5.428 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccc(F)c2)c1 526484893 BZAGQWVSFDEOCS-XMMPIXPASA-N 428.463 5.543 30 10 IKEE CC(C)COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccc(F)c2)c1 526488133 JODZLBOFUWYUOV-RUZDIDTESA-N 442.490 5.789 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(Cl)cc2)c1 526489776 SEBFBZNLJMYSJG-HSZRJFAPSA-N 430.891 5.668 30 10 IKEE Cc1ccc(SC2=C(Nc3cccc(C)c3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 526640167 USAHEDHRVLQNLP-UHFFFAOYSA-N 425.513 5.164 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)cc2)cc1OC 526775616 OCPWCNBGGOQTDC-QHCPKHFHSA-N 447.462 5.016 30 10 IKEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1ccc(C(C)(C)C)cc1 526814351 LWZZDTVVVNUMFU-MSXFZWOLSA-N 433.408 6.365 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccccc1OCCC 526816451 DCZBQLRVTUXNCT-XYGWBWBKSA-N 443.016 6.237 30 10 IKEE CCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1cccc(Cl)c1Cl 526823138 RCNGTSOQCIEDER-MSXFZWOLSA-N 430.364 5.584 30 10 IKEE Cc1ccc(/N=C\C2=C3NC4=C(/C=N\c5ccc(C)cc5)CCC[C@]4(C#N)C=C3CCC2)cc1 606631260 KBBVYRQYYZVFGL-KWOIMRHPSA-N 446.598 7.324 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@H](CNC(=O)OC(C)(C)C)C(C)C)cc1 698955235 FFUZGJONHSNXNE-PMACEKPBSA-N 431.577 5.426 30 10 IKEE C=CCC1([C@H](NCC)c2c(F)ccc(F)c2Br)CN(C(=O)OC(C)(C)C)C1 722928635 HISDVKXCICGKHH-QGZVFWFLSA-N 445.348 5.191 30 10 IKEE COc1ccc(Oc2ccc(N=Cc3cccn3-c3ccc(Br)cc3)cc2)cc1 1084022177 RBHGINUPKHAIOX-UHFFFAOYSA-N 447.332 6.791 30 10 IKEE C=CCN1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=Nc1nc(-c2ccccc2)cs1 1772736459 KTONVWGWAMYOMJ-MAFLSSHGSA-N 443.597 6.546 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(N(C)C)cc2)SC1=Nc1nc(-c2ccccc2)cs1 1772736474 KTZXBQGMSOWGAM-VASVRFFCSA-N 434.590 5.500 30 10 IKEE O=C1/C(=C\c2ccc(Cl)cc2)SC(=NN=Cc2ccccc2O)N1Cc1ccco1 1772756725 BGERQYADOWALHU-JQTCHMLUSA-N 437.908 5.145 30 10 IKEE C/C=c1\c(=C/C)n(-c2ccccc2)c2ccc(-c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)cc12 1857523002 BETCHPUUQOZNHT-DPJZGSDBSA-N 449.403 5.198 30 10 IKEE CC(C)c1ccc(-n2cc(/C=N\NC(=S)Nc3ccccc3)c(-c3ccccc3)n2)cc1 1857808579 DTIXYXPBQFIEQQ-PKAZHMFMSA-N 439.588 5.983 30 10 IKEE N#Cc1ccc(NC(=O)c2nn(-c3cccc(Cl)c3)c(-c3ccccc3)c2Cl)cc1 1859381855 XWVALKGQDOPWHZ-UHFFFAOYSA-N 433.298 5.970 30 10 IKEE N#Cc1c(N2CCC3(CC2)CC(=O)c2cc(Cl)cc(Cl)c2O3)ncc2c1CCCC2 1859821092 GCBUSSCXBBPPDD-UHFFFAOYSA-N 442.346 5.143 30 10 IKEE COc1cc(/C=C/C(=O)C(=O)Nc2ccc(F)c(Cl)c2)ccc1OCc1ccccc1 1860728208 BUHXCOMZUQEZBQ-YRNVUSSQSA-N 439.870 5.288 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccc(F)c1 1861378310 HVCUTTVDOVVTTD-XMMPIXPASA-N 426.576 5.424 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CCC(C)C)cc1 1862385468 QEWVINSAUSWKCK-FQEVSTJZSA-N 448.346 5.626 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@@H]1c1ccc(O)c(O)c1 1862392097 PLVCRZYTLQWBME-QHCPKHFHSA-N 437.536 5.209 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccccc1C 1862411636 MCJAZXPXMNATQG-HSZRJFAPSA-N 449.453 5.060 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(C(C)(C)C)cc1 1862434898 JSZMGOZLRRPDRB-NRFANRHFSA-N 441.955 5.252 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(O)cc1 1862443571 QBYOOFSPRKFMQI-RFVSGWPVSA-N 425.912 5.203 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(F)c1 1862445219 QYSIZQHIXWEINB-UNMCSNQZSA-N 443.946 6.416 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccccc1C 1862456554 UUMXXAJGGTVUIM-NRFANRHFSA-N 431.454 5.571 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc(OCC)c1 1862478483 IDRMBKSBASAGMK-WIOPSUGQSA-N 449.591 6.331 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2cccc(C)c2)c1 1862501674 IFNDKUFICQOBRX-DEOSSOPVSA-N 445.490 5.230 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2cccc(F)c2)ccc1F 1862501751 JRNPNOZZYZGORW-QFIPXVFZSA-N 425.475 5.574 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(F)cc2F)ccc1F 1862503254 UCDIRKVDMNWBAN-JOCHJYFZSA-N 437.417 5.191 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2CCC(C)C)c1 1862536563 BIJRANMRCLSNME-XMMPIXPASA-N 435.564 5.662 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccccc1 1862544227 YVECDHMLSIXKEK-SIBVEZHUSA-N 437.539 5.905 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccc3cc[nH]c3c2)c1 1862560099 DTWFQAMAWILHEB-XMMPIXPASA-N 443.547 5.441 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862654614 OFAXBVDZRXQHDQ-XDHUDOTRSA-N 429.516 5.615 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(F)cc2F)cc1 1862659782 AOWDLAMDYXPRBI-HSZRJFAPSA-N 448.469 5.262 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2Cl)cc1 1862660776 MCBXYHDCRIENAS-HSZRJFAPSA-N 437.967 6.374 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)cc1 1862736887 PQDNPDJGMJPRNY-SAWYMBPVSA-N 434.492 5.060 30 10 IKEE C=CCN1C(=O)C(Nc2cccc(C)c2C)=C(c2ccc(OCc3ccccc3)cc2)C1=O 1863363702 MPHXRBBJOURRDF-UHFFFAOYSA-N 438.527 5.260 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(NC(C)=O)c2)=C(c2cccs2)C1=O 1863474865 QDEJBFDHIHWQJZ-UHFFFAOYSA-N 439.581 5.259 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2[N+](=O)[O-])C(=O)N(Cc2cccc(C)c2)C1=O 1863598761 YWJMJTJFIVEMEF-UHFFFAOYSA-N 449.551 5.133 30 10 IKEE C[C@H]1c2[nH]cnc2CCN1c1cc(Nc2ccc(C#N)cc2)nc(-c2ccccc2Cl)n1 1868426180 MCOAOHYDFZONFD-HNNXBMFYSA-N 441.926 5.259 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](CCCC)NC(=O)[C@@H](c1ccc(Cl)cc1)C1CCCC1 1868880285 ZNYQLBKGDGTKNO-DHIUTWEWSA-N 431.020 5.489 30 10 IKEE C=CCN(CC=C)c1cc(N2CCN(C(C)C)c3ccccc32)nc(-c2ccc(F)cc2)n1 1869278318 LCGCOTRQVJMIGU-UHFFFAOYSA-N 443.570 5.828 30 10 IKEE CC(C)c1ccccc1-n1nnc(C#N)c1NC(=O)c1c(Cl)ccc(Cl)c1Cl 1870154174 OFDPCXDJAQNRIL-UHFFFAOYSA-N 434.714 5.475 30 10 IKEE C=CCn1cc(OCCCOc2ccc(OC)cc2)c(=O)cc1CSc1ccccc1 1870312630 DXTDXETZTXAPCX-UHFFFAOYSA-N 437.561 5.183 30 10 IKEE CCCCCCCCCCn1cc(OCC(C)C)c(=O)cc1CN1C[C@H](C)O[C@@H](C)C1 1870437036 LGKIHKJWIGTZRS-GOTSBHOMSA-N 434.665 5.633 30 10 IKEE C=CCn1cc(OCc2ccc(F)cc2)c(=O)cc1CNc1cccc(C(F)(F)F)c1 1871073219 CQALWCXPSPBUFS-UHFFFAOYSA-N 432.417 5.383 30 10 IKEE C=CCn1cc(OCCCCOc2cccc(C)c2)c(=O)cc1CNc1ccc(F)cc1 1871221273 VXQHLVYAWVSGJE-UHFFFAOYSA-N 436.527 5.332 30 10 IKEE CCCCCCCCCCN1COc2ccc3c(c2C1)O/C(=C\c1cccc(C)c1)C3=O 1871348722 LMGRXZBTIWKNPO-ITYLOYPMSA-N 433.592 6.904 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc3c2CN(C[C@H](O)c2ccc(Cl)cc2)CO3)C1=O 1871352964 JKJWEORNOKUFFK-LRRLVBENSA-N 447.918 5.150 30 10 IKEE Cc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(C35CC6CC(CC(C6)C3)C5)C4)C2=O)o1 1871358824 CQPZEBAMYYXKBT-AQHIEDMUSA-N 431.532 5.633 30 10 IKEE COc1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1 1871376660 BNZNPSOWKWEDJK-ZLWWARENSA-N 426.468 5.547 30 10 IKEE Cc1cc(OC(=O)c2cccc(OC(C)C)c2)cc2c1C(=O)/C(=C/c1ccccc1F)O2 1871388503 ZCTTYYSQTPHGSL-QRVIBDJDSA-N 432.447 5.757 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O 1871403585 ZZHYQXZVBBLMFE-PDESAOGPSA-N 445.490 5.719 30 10 IKEE Cc1ccc(OCCOc2ccc3c(c2C)O/C(=C\c2c(F)cccc2Cl)C3=O)cc1 1871404700 CNHHSNSMMRXAJB-UCQKPKSFSA-N 438.882 6.170 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccccc4C)c3C)C2=O)cc1 1871408701 GBMZIKAMTHPHIK-OQLNFPPLSA-N 427.500 5.634 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(F)c(F)c4)ccc3C2=O)cc1 1871440750 FWKDSVIIQCLCLY-KSEXSDGBSA-N 435.426 5.161 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(F)cc2)[nH]c(N(C)Cc2ccccc2)n1 1871515676 GOCWIUAXGGVJIG-UHFFFAOYSA-N 436.579 5.585 30 10 IKEE C=CCN(CC=C)c1nc(=NCCCCC)nc(Nc2ccc(Cc3ccccc3)cc2)[nH]1 1871659328 ZUEBMLWRHDZEHG-UHFFFAOYSA-N 442.611 5.408 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[C@H](C)CC)S(=O)(=O)CCCC 1872372406 SVSMQVVBWNGBAW-APWZRJJASA-N 448.551 5.067 30 10 IKEE COc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 1872764872 AJRJVXDUZPBQHY-QGZVFWFLSA-N 427.323 5.000 30 10 IKEE Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1872767117 SRHCDUZIHGXYJZ-OAHLLOKOSA-N 442.840 5.078 30 10 IKEE COc1c(Cl)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)c2ccc3cc[nH]c3c2)n1 1872778247 HFEGIYMUEHBIDI-HNNXBMFYSA-N 442.327 6.097 30 10 IKEE COc1c(Cl)cc(-c2csc([C@@H](C#N)C(=O)c3ccc4cc[nH]c4c3)n2)cc1Cl 1872785384 LOBHUEMMEXOYFV-AWEZNQCLSA-N 442.327 6.097 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(OC)cc2)C(=O)N(C2CCCCC2)C1=O 1873142491 MYPPVNQWYFRTAE-UHFFFAOYSA-N 440.628 5.838 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(C)ccc2OC)=C(c2ccccc2C)C1=O 1873305822 XFSMLLDYWYMYFO-UHFFFAOYSA-N 434.580 5.865 30 10 IKEE C=CCN1C(=O)C(Nc2cccc(OCCC)c2)=C(c2cccc(Cl)c2Cl)C1=O 1873341666 MHOIMLYWCDMPRA-UHFFFAOYSA-N 431.319 5.160 30 10 IKEE C=CCOc1ccc(-c2nonc2NC(=O)CCCOc2cc(C)c(Cl)c(C)c2)cc1 1873439102 QFDGLBOEPODMNQ-UHFFFAOYSA-N 441.915 5.369 30 10 IKEE COc1ccc(/C=N/Nc2ccc(Cl)c(Cl)c2)cc1OCc1cccc(Cl)c1 1873498959 UONJQJSGKYNUSY-BRJLIKDPSA-N 435.738 6.680 30 10 IKEE CSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874245416 DEBRSAPAKOFSRK-AFUMVMLFSA-N 434.487 5.221 30 10 IKEE C=C(C)CSc1nnc(COc2cccc(C)c2C)n1/N=C/c1cccc2ccccc12 1874323479 RHVRTMNTLYQQJS-JFLMPSFJSA-N 442.588 6.178 30 10 IKEE Cc1ccc(CCc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccccc2)cc1C 1874331167 YGCQIMVFEKTAHX-OGLMXYFKSA-N 444.579 5.994 30 10 IKEE CCCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc(Cl)cc1Cl 1874343218 DYXAYXRNQAZWRJ-FSJBWODESA-N 439.799 6.213 30 10 IKEE Cc1ccc(CSc2nnc(CCc3cccs3)n2/N=C/c2cccc(C)c2)cc1 1874369148 MGNGLSJMWCEELF-PCLIKHOPSA-N 432.618 5.916 30 10 IKEE Cc1cccc(CSc2nnc(Cc3cccs3)n2/N=C/c2cc(C)ccc2O)c1 1874410067 ABUAZEPEASUSSG-ZVHZXABRSA-N 434.590 5.427 30 10 IKEE Fc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCc2ccc(F)cc2)cc1 1874410484 VVRBPWKIKRLGCA-ZMOGYAJESA-N 426.517 5.383 30 10 IKEE Cc1cccc(CSc2nnc(-c3cccs3)n2/N=C/c2cccc3ccccc23)c1 1874422012 PHWVKFJZWYJHOU-WGOQTCKBSA-N 440.597 6.643 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2-c2ccccc2)c1OC 1874426381 FVXWZKHVSMBZTK-CVKSISIWSA-N 448.523 5.276 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(Br)cc1 1874476528 OPPTWXSTOYXRIE-YDZHTSKRSA-N 447.377 5.697 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1/N=C/c1ccc(CC)cc1 1874478257 WLLPKRZJDBMODA-WGOQTCKBSA-N 449.624 5.413 30 10 IKEE CCOc1cc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C(C)(C)C)ccc1O 1874485231 KNZJCSWCRPITLX-ZMOGYAJESA-N 444.988 5.508 30 10 IKEE COc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2ccc(Cl)cc2Cl)cc1 1874492531 RLDWBULYTHRHQR-WYMPLXKRSA-N 449.407 5.967 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(SCc2ccc(C)cc2)nnc1C1CCC1 1874493314 GNCTUHILFFIGFV-JVWAILMASA-N 442.588 6.190 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCc3nc(O)c4ccccc4n3)nnc2C(C)C)cc1 1874515269 VUAMJLLOWJJJST-DHRITJCHSA-N 446.580 5.348 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1OCc1ccccc1F 1874573200 ALPKDXBRLJJMJJ-FMIVXFBMSA-N 431.290 6.616 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccccc2Cl)c1OCc1ccccc1C 1874575130 XJXPMHFDCNCFKJ-VAWYXSNFSA-N 427.327 6.786 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(Cl)cc2)c1OCc1ccccc1F 1874577499 QDWVMHFZFMVRSU-DHZHZOJOSA-N 431.290 6.616 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccccc2)c1OCc1c(Cl)cccc1Cl 1874578458 OSVZIFSJGVCNJW-ZHACJKMWSA-N 447.745 7.131 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(OC)c1OCC(=O)OCCC 1874613433 TZECBTPZAAYZNU-ZHACJKMWSA-N 428.912 5.305 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OCC(=O)Nc1ccc(C)cc1 1874620150 LOMKHNSBYMBQDP-WUXMJOGZSA-N 433.479 5.365 30 10 IKEE C=CCOc1c(CC=C)cc(/C=C/C(=O)c2cc(Cl)c(OC)cc2OC)cc1OC 1874631735 RFDUCVQDHLYCKG-MDZDMXLPSA-N 428.912 5.555 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OCC(=O)Nc3nccs3)c(Cl)c2)c(C)c1 1874634367 YPQWUAFRSCFXLD-GQCTYLIASA-N 440.952 5.635 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OCc1ccc(C)cc1 1874638038 FXBNHQDGVGVGAE-YRNVUSSQSA-N 427.327 6.786 30 10 IKEE COc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc4ccccc4c3)c2)cc1 1874693417 DVXSPAUJLYKABA-CXUHLZMHSA-N 438.479 5.729 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cncc(C)c3)c2)cc1 1874702029 QAKISKHBMDAFRL-VZUCSPMQSA-N 431.488 5.303 30 10 IKEE COc1cccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(Cl)c(Cl)c3)c2)c1 1874703105 ZEYIIBVSUVAREF-DHZHZOJOSA-N 427.283 6.117 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(F)cc3)c2)c(OCC)c1 1874714775 MZIAJDVOUYKPSM-OVCLIPMQSA-N 434.463 5.738 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cc(C)cc(C)c3)c2)c(OC)c1OC 1874717456 VFVPTQPZBIJZCU-PKNBQFBNSA-N 446.499 5.445 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(Cl)c(Cl)c2)CSc2nnc(C)n21 1874822138 ANTYZXMOIUXLFE-SFHVURJKSA-N 441.428 5.956 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1OC 1875080089 CPIQPWYZLHMXPB-XNTDXEJSSA-N 434.919 6.617 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(Cl)c1OC(=O)CC(C)(C)C 1875101758 ZZZMQWRMZPLEAL-JLHYYAGUSA-N 428.956 6.539 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1OC(=O)CC(C)C 1875104084 FOOPENPFMCSFMG-QPJJXVBHSA-N 441.738 6.503 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1 1875113890 CZKNYERHLNGFPC-SWGQDTFXSA-N 437.835 5.372 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(Br)c2)cc(OC)c1OC(=O)CC 1875117546 PLDFCBKGJYDAFK-ZHACJKMWSA-N 429.310 5.398 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1[N+](=O)[O-] 1875120791 KSLCWTFKTWEJPL-UXBLZVDNSA-N 429.419 5.645 30 10 IKEE CCCCC(=O)Oc1c(OCC)cc(/C=C/C(=O)c2ccc(F)cc2F)cc1[N+](=O)[O-] 1875125043 NWIXZQSRLWPWHW-JXMROGBWSA-N 433.407 5.263 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3cccc(C)c3)cc2)cc1F 1875151979 BWKSGGHBSHNMIB-GXDHUFHOSA-N 448.490 5.803 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(F)c3)cc2Cl)cc1 1875162050 UJZHVWFCBFWCKO-QDEBKDIKSA-N 442.845 6.132 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3ccccc3)cc2)c(C)c1C 1875168234 YNLDJEFDXUUCKA-GHRIWEEISA-N 444.527 5.973 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1Cl 1875169275 NGUXZRCRZGUGEY-ACCUITESSA-N 426.984 7.346 30 10 IKEE CCCC[C@](C#N)(CC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875634758 SSLGELLZCDONQY-WDYNHAJCSA-N 443.587 6.988 30 10 IKEE C=CCC1(Oc2cc(Br)c(C)cc2N)CCN(C(=O)OC(C)(C)C)CC1 1903059280 FVTVEBBNTFYUPH-UHFFFAOYSA-N 425.367 5.064 30 10 IKEE C=C(COCc1ccccc1)[C@H](NC)[C@@H]1CC[C@H]2CCCC[C@@H]2N1C(=O)OC(C)(C)C 1922072877 YPTMPUGXHZFTJN-SBFWRKJZSA-N 428.617 5.306 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H](CC1CCCCC1)NC(=O)OC(C)(C)C 1926613679 BZVOGIGIQOUPFN-RPWUZVMVSA-N 430.633 5.601 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(C)cc(Br)c1F 1926708414 GMZHJSGOSDKSEX-IEBWSBKVSA-N 443.401 5.797 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@@H](NC(=O)OC(C)(C)C)C(C)C 1941061327 KCJYAEDIFHPENS-YADARESESA-N 431.577 5.568 30 10 IKEE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)c1cccc(Br)c1C#N 1957284586 SPLIEOCALJZBON-UHFFFAOYSA-N 444.373 5.242 30 10 IKEE C=C(Cl)C[C@H](NCCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2016691250 MACXRPUTZOUYQO-VWLOTQADSA-N 435.995 7.028 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C12CCCC2 2072187898 IKIBACILWGSGDH-VWLOTQADSA-N 447.620 5.772 30 10 IKEE CC(C)c1ccc([C@@H](n2nc(C(F)F)c(C=NO)c2Br)C2(C)CC2)cc1 2080007143 NJWJXGXTICOQAS-MRXNPFEDSA-N 426.305 5.904 30 10 IKEE CCOc1ccc(C(F)(F)F)cc1-c1c(C2CCCC2)nn2c(Cl)c(C#N)cnc12 2081238130 ZPLIVXJMBRCQKX-UHFFFAOYSA-N 434.849 5.996 30 10 IKEE N#Cc1c(F)cc(Br)cc1Nc1ccc(Br)c(Br)c1 2129402578 KPXHFXRPMQYPET-UHFFFAOYSA-N 448.915 5.728 30 10 IKEE CN1[C@H]2CC[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c1cccc(Br)c1)CC2 2154185186 DCKYMLVVHLAARE-DJPFJPOOSA-N 434.378 5.100 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCC(C#N)(Nc3ccccc3Br)CC2)C1 2156001586 MNBHXQWLUDOYBZ-UHFFFAOYSA-N 434.378 5.325 30 10 IKEE CC(C)N(C[C@@H]1CCCN(c2ccc(C#N)c(Br)c2)C1)C(=O)OC(C)(C)C 2174814982 OHEKSDMHUMFFQU-MRXNPFEDSA-N 436.394 5.183 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(Br)cc2C#N)C[C@H]1C1CCC1 2194114627 ZSUNLRMPNSHIAM-HKUYNNGSSA-N 434.378 5.301 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCCC)c2cc(Cl)c(Cl)cc2Cl)C1 2201293793 VVQZOXVPJHHZSS-KRWDZBQOSA-N 433.807 6.301 30 10 IKEE C=C(Cl)C[C@H](NCCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229131519 CHJXAFRNYKTANO-ZWKOTPCHSA-N 445.829 5.396 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)C[C@H](CCC)NC(=O)OC(C)(C)C 2235717331 JFLOVWSFWJLKGE-OALUTQOASA-N 437.422 5.252 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CCC[C@H](C1)[C@@]2(C#N)N(C(=O)OC(C)(C)C)C1CCC1 2249363715 IRERVMGAPVBOIM-JZYHSSGTSA-N 433.593 5.142 30 10 IKEE C=C(C)CCCC[C@@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)NCCC 2250141084 MJJULXCLHWTAEL-DEOSSOPVSA-N 431.665 5.518 30 10 IKEE C[C@@H](N(Cc1ccccc1)Cc1c(F)cccc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2260852810 MDLKTBWVDRJRGL-LJQANCHMSA-N 425.397 5.562 30 10 IKEE COc1cc(C=C2Sc3ccccc3C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1C#N 2296740217 MGBIFJBBQLLBCJ-UHFFFAOYSA-N 430.441 5.597 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)C(=C(O)c4ccco4)[C@@H]3c3cccs3)sc2c1 2296775161 SMGNDBIWXRKMJC-SFHVURJKSA-N 436.514 5.140 30 10 IKEE C=CC[C@H](Oc1cc(Br)c(Cl)cc1N)[C@@H]1CCN1C(=O)OC(C)(C)C 2314297401 HBDMSQPYGBGHIR-GJZGRUSLSA-N 431.758 5.018 30 10 IKEE CC[C@]1(C)N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2315231263 LBQXJYCWLBNOAN-ZEQRLZLVSA-N 447.551 5.639 30 10 IKEE C=CCSc1nnc(C2CC2)n1N=Cc1ccc(OCc2ccc(C)cc2)c(OCC)c1 2320867760 KJXLBOUPBDGRRP-UHFFFAOYSA-N 448.592 5.602 30 10 IKEE C=CC[C@@H]1COC[C@@H]1NCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2321007675 OUPOOPSFWVQRCT-FTJBHMTQSA-N 429.560 5.525 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(C)n2N=Cc2c(Cl)cccc2Cl)c1 2321109411 BXZQXBSUQZAMOE-UHFFFAOYSA-N 448.379 5.123 30 10 IKEE COc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN([C@H](C)c1ccccc1)C3 2322092401 XTUXSCDJDBFKJK-GOSISDBHSA-N 427.500 5.533 30 10 IKEE COc1ccccc1C=C1Oc2c(cc3c(c2C)OCN(Cc2cccc(C)c2)C3)C1=O 2322432522 YOHIOYNALJNUMI-UHFFFAOYSA-N 427.500 5.280 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)NCc2ccco2)c(C)c1 2322949020 NXOVNTRMPUHDNX-UHFFFAOYSA-N 437.923 5.450 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3cc(C)ccc3C)c2)cc1 2323063372 NMOJSRIZCQGPIM-UHFFFAOYSA-N 443.543 5.788 30 10 IKEE Cc1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)cc1 2323065021 RUPMNTCRXLBHJL-UHFFFAOYSA-N 439.511 5.604 30 10 IKEE CCc1ccccc1NC(=O)COc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OC 2323118393 NEXUVUFFCCRFFH-UHFFFAOYSA-N 449.934 5.825 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OC(=O)C=Cc4ccco4)ccc3C2=O)cc1 2323166731 RUYFXDDUHFWTKU-UHFFFAOYSA-N 429.472 5.361 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc1OCc1ccc(C)cc1 2323295769 QSKNAKMHATZPSU-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE CCOc1c(Cl)cc(C=NNS(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1Cl 2323352531 JIDAIEBAKBIKJB-UHFFFAOYSA-N 443.396 5.310 30 10 IKEE Cc1c(OC(=O)Cc2ccccc2[N+](=O)[O-])ccc2c1OC(=Cc1cccc(Cl)c1)C2=O 2323395933 ZKFNLMDQEZEDOS-UHFFFAOYSA-N 449.846 5.321 30 10 IKEE Sc1nnc(CCc2ccccc2)n1N=Cc1ccc(OCc2ccccc2)c(Cl)c1 2323504016 DIDXNYGLWULWDY-UHFFFAOYSA-N 448.979 5.467 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc(OC(=O)C=Cc3ccccc3)c2C)C1=O 2323745683 BYXLVHGNLVZXPO-UHFFFAOYSA-N 426.468 5.629 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)c1ccc2c(c1)OCO2 2324084647 WWTJQXZWUXNSBI-UHFFFAOYSA-N 427.283 6.197 30 10 IKEE COc1ccc(C=C2Oc3cc(OCCCc4ccccc4)cc(C)c3C2=O)cc1OC 2324269472 CPPKISBQGWRMDO-UHFFFAOYSA-N 430.500 5.640 30 10 IKEE Cc1ccc(OCCCOc2ccc3c(c2C)OC(=CC=Cc2ccccc2)C3=O)cc1 2324547658 MYPRESDGZNGPKN-UHFFFAOYSA-N 426.512 6.324 30 10 IKEE Cc1ccc(CCOc2ccc3c(c2C)OC(=Cc2c(Cl)cccc2Cl)C3=O)cc1 2325370618 GNJBXOYMGLODFV-UHFFFAOYSA-N 439.338 6.848 30 10 IKEE Fc1cccc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccccc2F)c1 2325443890 FBBLYWWJLMTTAM-UHFFFAOYSA-N 434.515 5.516 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(N(C)C)cc1 2325532596 LFOGHUVAOZXONC-UHFFFAOYSA-N 428.005 5.515 30 10 IKEE FC(F)(F)c1ccc(C=Nn2cnnc2SCc2ccc(Cl)c(Cl)c2)cc1 2325668823 YSOWZJYYQPORNQ-UHFFFAOYSA-N 431.270 5.778 30 10 IKEE CCc1ccc(CCC(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c(OC)c3)c2)cc1 2325703839 WMIXVKMUYQFWMW-UHFFFAOYSA-N 444.527 5.701 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1cccc(C=CC(=O)c2ccccc2Cl)c1 2325717668 LRUBPCOSQUVEJF-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE COc1ccc(C=C2Oc3cc(OCC(=O)Nc4cc(C)cc(C)c4)cc(C)c3C2=O)cc1 2325721455 AQEGPXGHKADCTL-UHFFFAOYSA-N 443.499 5.254 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2cccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1 2325722525 HARKPIMWIRTEJV-UHFFFAOYSA-N 445.471 5.564 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1)c1cccc(Cl)c1 2325728825 KQTIEUGHGRBYCC-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)C=Cc1cc(OC)ccc1OC 2325729525 DOIYBZUFGLZWGI-HSZRJFAPSA-N 446.632 5.259 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2)cc1OC(=O)Cc1cc(Cl)ccc1Cl 2325731049 QNQXGYFUHYVSQQ-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE Cc1c(OCC(=O)Nc2ccccc2)ccc2c1OC(=Cc1cn(C)c3ccccc13)C2=O 2325740080 OGOAVAUNWTYLKD-UHFFFAOYSA-N 438.483 5.120 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1 2325757562 QKEWBHNUBXOLSB-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(Cl)c(Cl)c3)c2)cc1C 2325760385 SOIJDDQSRZAHED-UHFFFAOYSA-N 425.311 6.726 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccc(F)cc1 2326074899 TUKAUXMCNCUWRN-UHFFFAOYSA-N 430.936 5.243 30 10 IKEE CCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1ccc(OC)c(OC(C)C)c1 2326406593 ICLBHPHKFFYNFK-UHFFFAOYSA-N 438.597 5.428 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1cccc(C(F)(F)F)c1 2326412459 JGQODGXOCPKJJF-UHFFFAOYSA-N 432.515 6.041 30 10 IKEE CCCCC1CCC(c2nnc(SCCCO)n2N=Cc2ccc([N+](=O)[O-])cc2)CC1 2328198228 DKHUUOPMCALADE-UHFFFAOYSA-N 445.589 5.007 30 10 IKEE Clc1ccccc1CSc1nnc(CCOc2ccccc2)n1N=Cc1ccncc1 2329200411 DVDJKFKSCGTXPI-UHFFFAOYSA-N 449.967 5.123 30 10 IKEE Cc1ccccc1CCc1nnc(SCCCO)n1N=Cc1ccc(Cl)cc1Cl 2329507372 DRJPPFUPKXCLCS-UHFFFAOYSA-N 449.407 5.035 30 10 IKEE C=CCSc1nnc(CCc2cccs2)n1N=Cc1cccc(OC)c1OCCC 2329673668 MJMOFQUVJUKAAZ-UHFFFAOYSA-N 442.610 5.083 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2ccccc2Cl)cc1 2330006076 WLJJUKMRKHZONH-UHFFFAOYSA-N 447.007 6.048 30 10 IKEE CCCSc1nnc([C@H](C)c2ccccc2)n1N=Cc1cccc(Br)c1 2330125367 YTGUFVMHWXAKJF-OAHLLOKOSA-N 429.387 5.577 30 10 IKEE Fc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCc2cccc(Cl)c2)cc1 2330290055 MLZGZCLZRCBIBM-UHFFFAOYSA-N 442.991 6.368 30 10 IKEE COc1ccc(C=Nn2c(Cc3cccs3)nnc2SCc2cc(C)ccc2C)cc1 2330393776 OUBOPAUSELCMFX-UHFFFAOYSA-N 448.617 5.730 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc([N+](=O)[O-])c1OC(=O)CC 2330607587 PAGRUMKJJKECDQ-UHFFFAOYSA-N 445.471 5.872 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1OCC 2330700739 NTFBWPALQJDHCX-UHFFFAOYSA-N 434.576 6.736 30 10 IKEE CCCOC(=O)CSc1nnc(-c2ccccc2)n1N=Cc1c(Cl)cccc1Cl 2330707207 STJOURFFDGUYRY-UHFFFAOYSA-N 449.363 5.179 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)ccc1OC(=O)Cc1ccc(Cl)cc1 2330763039 HVKNAALYWPTULJ-UHFFFAOYSA-N 448.946 6.345 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3[N+](=O)[O-])c(Cl)c2)c1 2330783009 QYLKFTKSOHLBOI-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccccc2OC)cc1OCC 2331078078 YWTOMPCQYPGPET-UHFFFAOYSA-N 438.564 6.646 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 2331136287 XUTWGUJWIKYQEJ-UHFFFAOYSA-N 448.946 6.761 30 10 IKEE Oc1ccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C(F)(F)F)cc1 2331156100 LNJRYGJTQLGCQR-UHFFFAOYSA-N 447.269 5.484 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccccc2)cc1Br 2331169226 OLKGGEZDSVVHNE-UHFFFAOYSA-N 443.381 7.001 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccco3)n2N=Cc2c(F)cccc2Cl)c1 2331183535 BKHTURYVCASSKU-UHFFFAOYSA-N 426.904 5.814 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCc3ccccc3)nnc2-c2ccco2)cc1 2331206850 UFDOHHOQXMVQLT-UHFFFAOYSA-N 431.565 5.559 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OCC)cc2)cc(OC)c1OC(=O)C(F)(F)F 2331210608 YBQDNJVLKVDYIC-UHFFFAOYSA-N 434.410 5.186 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)c1sccc1C 2331255925 JUMVYNUGWMWYFL-UHFFFAOYSA-N 426.921 6.142 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3c(OC)cccc3OC)cc2)cc1 2331294328 NOANIXDYVQOTEX-UHFFFAOYSA-N 446.499 5.608 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Cl)cc(Br)c1F 2337101598 KZGDKMKYNQEGAC-RDJZCZTQSA-N 449.792 5.752 30 10 IKEE CC(C)N(C[C@H](C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2339578821 MUJAPVWBTHYGPZ-JKGDOXCYSA-N 446.397 5.139 30 10 IKEE N#C[C@@]1(Cc2ccc(I)c(Br)c2)CCCC12CCC2 2349877195 BZSSACKZGIWLJK-INIZCTEOSA-N 430.127 5.460 30 10 IKEE C=CC[C@@H](CNCC(C)C)Cc1ccc(I)c(Br)c1 2349912022 ZMNNYTGUEQKUHD-CQSZACIVSA-N 436.175 5.034 30 10 IKEE Cc1ccccc1NC(=O)Cc1nc(COc2ccc(-c3ccc(C#N)cc3)cc2)cs1 10276611 CNHAYOIYDMLPGQ-UHFFFAOYSA-N 439.540 5.750 30 10 IKEE C/N=c1\scc(-c2ccc(C3CCCCC3)cc2)n1/N=C/c1ccc(C(=O)OC)cc1 15978726 RVCZBTZARUJJMM-QKFKWCFOSA-N 433.577 5.464 30 10 IKEE CC[C@@H](C)Oc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccccc1)C2 21229819 IMAUOVYJEXBFTF-GZGBDJLISA-N 438.571 6.843 30 10 IKEE CC(C)COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2)cc1 21237420 GPDIGEQEGAMAHS-PZGXJGMVSA-N 438.571 6.701 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)cc2Cl)cc1 21241283 GHMVZFHOEOAJFA-KDOFPFPSSA-N 430.331 5.396 30 10 IKEE C=CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1 27534766 IPFXDCQCLKYLTJ-DZNDYGJHSA-N 426.541 6.056 30 10 IKEE CC(C)(C)c1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc3C2=O)cc1 33350171 XCUCDPNZDIWBIC-UCQKPKSFSA-N 432.903 6.473 30 10 IKEE COc1ccc(/C=C\C(=O)C[C@@H](Nc2ccc(C(=O)O)cc2)c2ccc(Cl)cc2)cc1 33399974 OOPCCSFNEKSCOU-HYQWVHIDSA-N 435.907 5.873 30 10 IKEE CC[C@@H](C)Oc1c(/C=C2\S/C(=N/c3ccccc3)N(CCOC)C2=O)cccc1OC 38207738 LNIFIALKAWDNAG-XQNNBTGUSA-N 440.565 5.123 30 10 IKEE O=C1/C(=C/c2ccccc2)S/C(=N/c2nc(-c3ccccc3)cs2)N1c1ccccc1 39865935 BYRFUNKNXLMOIT-BQDIORIJSA-N 439.565 6.619 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3c(ccc4c3CN([C@H](C)c3ccccc3)CO4)C2=O)cc1 41655118 NNIXWPIZJYLODI-APQFFPOMSA-N 425.528 6.339 30 10 IKEE COc1cccc(/C=C(\C(=O)c2cc(OC)c(OC)c(OC)c2)c2nc3ccccc3[nH]2)c1 51065482 PWWXUHILWSNGJC-CPNJWEJPSA-N 444.487 5.021 30 10 IKEE CSc1nc2ccc(/N=C/c3ccc(Sc4cccc5cccnc45)o3)cc2s1 59501329 YAYZUGFHMIPDSO-ZMOGYAJESA-N 433.583 7.061 30 10 IKEE CCCCCCCCCCOc1ccc(C2=N/C(=C\C(C)=C\c3ccccc3)C(=O)O2)cc1 97997731 HAAJZFNWQFPTJC-RMHGVJGPSA-N 445.603 7.497 30 10 IKEE CCCCCCCCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2cc(C)cc(C)c2)c1 98021359 MUPAZVCNIQMCQQ-SANMLTNESA-N 438.637 6.771 30 10 IKEE CCCCCCCCCCOc1ccc(/C=C2\N[C@H](c3ccc(Cl)cc3)OC2=O)cc1 100167656 QMSCVJKPRCHJJC-ZNDLMVGJSA-N 441.999 7.046 30 10 IKEE CCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O 100302036 IKRFTYQBIVDIMM-XMMPIXPASA-N 426.682 8.215 30 10 IKEE C=CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2)SC1=S 102858796 ULGOPIMUDONJBH-RCCKNPSSSA-N 447.585 5.325 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cc(Cl)ccc2C)[C@H]1c1cccs1 169984498 RWDAAUWHLPBVOR-FQEVSTJZSA-N 439.920 5.501 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(OC)cc2)cc1 170113554 YENORXIIYDWYNQ-XMMPIXPASA-N 443.499 5.267 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(Cl)c3C)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1C 170117133 QILPEXLZFHNYGF-UHFFFAOYSA-N 441.918 5.534 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@@H]1c1ccc(OC(C)C)cc1 170152203 IMZMSZUFOWANSG-NRFANRHFSA-N 443.927 5.124 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1cccnc1)c1cc2cc(Cl)ccc2o1 170184266 JXBSMOQLCYWIOP-NRFANRHFSA-N 448.837 5.403 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2cccnc2)c(C)c1 170190383 GIIJNIXAQAYEIJ-RUZDIDTESA-N 434.495 5.635 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccncc2)c1 170199172 GZXPQKQFGMAZGG-HSZRJFAPSA-N 446.478 5.038 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccccc2)cc1OC 170228067 WQUONOBQDBCSMO-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2)c1 170230355 IHCNUCSBJPWHJF-OAQYLSRUSA-N 437.879 5.110 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Br)ccc3o2)[C@@H]1c1ccccc1 170232807 XNEZYBFFHAXDRQ-IBGZPJMESA-N 440.293 5.184 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2ccc(Cl)cc2)cc1 170236450 IZCLEBJYQCOYOV-QFIPXVFZSA-N 441.955 5.897 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(Cl)cc2)cc1Cl 170236999 SQGLLRHKGROVFL-HXUWFJFHSA-N 446.330 5.523 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(F)cc2)c1 170239594 RXTDNICXQOSKDD-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1cn(C)c2ccccc12 170269652 QYRBOYLSQPPZRI-XMMPIXPASA-N 444.575 5.773 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccc2C)cc1C 170270938 ZCOXLMRWLKUIGG-DEOSSOPVSA-N 445.490 5.624 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccco2)cc1C 170284884 NYNPMHWJDWGCQX-QHCPKHFHSA-N 431.488 5.467 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccco2)cc1 170289433 MJNBWQKXMVAINH-QHCPKHFHSA-N 431.488 5.468 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccc(C)o2)c(OC)c1 170302391 AQFFNUKNXKMSOV-HSZRJFAPSA-N 447.487 5.005 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(C)c2)cc1 170341872 YJIKQHOGYUNHCU-RUZDIDTESA-N 440.543 5.624 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(OC(C)C)cc2)cc1 170393502 LVFUGDNCTSEUSB-QHCPKHFHSA-N 431.488 5.412 30 10 IKEE CCOc1cc([N+](=O)[O-])cc(C=Nc2ccc3oc(-c4ccccc4Cl)nc3c2)c1O 252596011 CFKLCGMKDSMTPD-UHFFFAOYSA-N 437.839 5.911 30 10 IKEE CCOc1ccc(/C=C2/SC(=Nc3ccc(OC)cc3)N(CC)C2=O)c(OCC)c1 252627401 RTLJLZDGBLFTKC-FUSVKQJLSA-N 426.538 5.117 30 10 IKEE N#Cc1c(N=Cc2ccccc2OCc2ccc(Cl)cc2Cl)sc2c1CCCC2 252629953 URASCPXDCZNQTG-UHFFFAOYSA-N 441.383 7.135 30 10 IKEE C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C/c1ccnn1-c1ccccc1)C2=O 254771649 PSHMDRHQJHJFAC-ZLUCMHQLSA-N 442.603 5.758 30 10 IKEE COc1ccc(N=C(C)c2c(-c3ccccc3)[nH]n(-c3nc4ccccc4s3)c2=O)cc1 254894703 LQDRZVCGGXNGSL-UHFFFAOYSA-N 440.528 5.592 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)cc1Cl)NCCC 406151697 BWSOPSVWZZZIHM-ROUUACIJSA-N 445.829 5.483 30 10 IKEE C#CCN(C[C@@H](NCCC)c1ccc(Br)c(Cl)c1F)C(=O)OC(C)(C)C 407264866 SWWIIMOXPGIKSY-OAHLLOKOSA-N 447.776 5.153 30 10 IKEE C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCN(c5cc(Cl)ccc5C)CC4)[C@@H]3C[C@@H]12 504669023 YQZIRLKEPCVJRH-KOXDZAGOSA-N 443.031 5.085 30 10 IKEE biogenic Cc1cccc([C@H]2C(c3cccc(OCC(C)C)c3)=C(O)C(=O)N2c2cccc(C#N)c2)c1 526516865 PDZHKSFGGXYBQZ-SANMLTNESA-N 438.527 5.959 30 10 IKEE Cc1ccsc1[C@H]1C(c2ccc(Cl)cc2Cl)=C(O)C(=O)N1c1cccc(C#N)c1 526520042 DMPTUHOFEUSZCC-LJQANCHMSA-N 441.339 6.292 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3ccc(Cl)c(Cl)c3)[C@@H]2c2ccc(O)cc2)c1 526522882 TXVVGAFWGBECEH-NRFANRHFSA-N 437.282 5.628 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccc(OC(C)(C)C)cc1 526807268 RLWFITDYYNWCND-OYKKKHCWSA-N 428.989 5.846 30 10 IKEE CCOc1ccc(/C=N\n2c(CC)nnc2SCc2cc(C)ccc2C)c(OCC)c1 526818468 KLTODEKRHTXWOE-MYYYXRDXSA-N 438.597 5.429 30 10 IKEE CCc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccc(C#N)cc2)cc1 526823752 QPNKPZSXKFMJCA-VEILYXNESA-N 437.572 5.477 30 10 IKEE CC(C)(C)c1ccc(S(=O)(=O)N(CCCC#N)c2cccc(Br)c2)cc1 586250679 RQXUZQWEDDQWJL-UHFFFAOYSA-N 435.387 5.246 30 10 IKEE N#Cc1ccccc1NC(=O)c1ccc(NC(=O)NCc2cccc(C(F)(F)F)c2)cc1 586620184 XZPRGFPPZOSRDQ-UHFFFAOYSA-N 438.409 5.151 30 10 IKEE Cc1cc(Br)ccc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 698862521 ZOIJONBCSVOLLK-GOSISDBHSA-N 435.749 6.417 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@H](C#N)c1cccc(OCc2ccccc2)c1 698989686 NFSQOKOPVISZMU-XMMPIXPASA-N 448.950 6.925 30 10 IKEE CCCCCCCC[C@@H](NC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 822114020 SWOUACDPBFAQCJ-ZEQKJWHPSA-N 431.665 5.494 30 10 IKEE CN1/C(=C/C=C/C2=C/C(=C3/C=CC=[S+]3)OC(c3cccs3)=C2)C(C)(C)c2ccccc21 1082888901 OVTGZSPRDQIFGN-YSWHNZAVSA-N 442.629 6.580 30 10 IKEE CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2/C=N/c1ccccc1/N=C/[C@H]1C(=O)[C@H]2CC[C@@]1(C)C2(C)C 1088651726 HXEWRZRCECTMFG-ZFGHIBFJSA-N 432.608 6.374 30 10 IKEE COc1cccc([C@H]2N(Cc3ccccc3)CC(=O)N2N=C(C)c2ccc(Cl)cc2)c1 1565519507 VMYZJPARAUDTQL-VWLOTQADSA-N 433.939 5.116 30 10 IKEE C=CCOc1ccc(/C=C2\SC(=Nc3nc(-c4ccccc4)cs3)N(CC)C2=O)cc1 1772739354 SWPXEMFWXYQOPL-POLMPROESA-N 447.585 5.999 30 10 IKEE O=C1/C(=C/c2ccc(F)cc2)SC(=NN=C/C=C\c2ccccc2)N1Cc1ccco1 1772759002 IZTCHOWDWBLWMD-BZIISIABSA-N 431.492 5.590 30 10 IKEE N#CCc1cc(-c2ccccc2OC(F)(F)F)cnc1-c1ccccc1OC(F)(F)F 1848361966 UZNOSJSQZQNAKN-UHFFFAOYSA-N 438.327 6.279 30 10 IKEE CCCCCCCCCCn1cc(O[C@H](C)C(=O)OCCC(C)C)c(=O)cc1C(=O)O 1857891191 PYDQHXXQRWBBKA-LJQANCHMSA-N 437.577 5.044 30 10 IKEE CCCCCCCCCNC(=O)COc1cc2c(c3oc(=O)cc(C)c13)CCC(C)(C)O2 1860282978 MNHTXYZVGXGKKA-UHFFFAOYSA-N 443.584 5.451 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)[C@H](C)CC 1861132146 SYYAAKQUDHWYTP-AWKCAWABSA-N 445.604 5.396 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)/C=C/c1cccc(Cl)c1 1861548883 RARCIWCCCFXLIC-DRUFCSCSSA-N 425.038 5.068 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(F)cc1 1862381444 ABZRBERLYDEYGG-IBGZPJMESA-N 436.310 5.901 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(OCC)cc1 1862419557 UFLJCJPQVQJLSE-JOCHJYFZSA-N 443.490 5.522 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1cccc(Cl)c1)c1cccc(Cl)c1 1862445929 HMHHENMFDOVRBR-HXUWFJFHSA-N 439.298 5.167 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1c(Cl)cccc1Cl 1862451931 QLSGEZWQHJFVHD-SFHVURJKSA-N 438.738 6.025 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccccc2Cl)cc1 1862476413 KNIOQHDNKSJXAP-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc(Cl)cc2Cl)c1 1862498137 AOOUAZHXROWZIC-OAQYLSRUSA-N 446.374 6.235 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(C)cc1 1862508318 ZJCIPCMWLPSCDA-DEOSSOPVSA-N 445.490 5.230 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862532315 VZQFLAYLYLPRMV-FQQGMQMYSA-N 448.519 5.314 30 10 IKEE CCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccccc1 1862532383 HFRFMOJRYMRZJK-AREMUKBSSA-N 447.619 6.968 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccc(O)c(O)c2)cc1 1862535808 KUEXBPNPVQZYED-DEOSSOPVSA-N 449.547 5.351 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cccc(F)c1 1862544861 MXXHLXAVBMSDGF-XMMPIXPASA-N 435.539 5.863 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1cccc(F)c1 1862617002 TYIAKVNQCCXCAH-CUHUQNRHSA-N 449.566 6.280 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccc1Br 1862657114 VHNFHJRVECYFRD-FQEVSTJZSA-N 436.305 5.201 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCCc2ccccc2)[C@@H]1c1cccc(O)c1)c1ccc(F)cc1 1862674875 WLCSCEVRKKVAHY-XMMPIXPASA-N 445.490 5.133 30 10 IKEE N#Cc1ccccc1NC1=C(c2cccs2)C(=O)N(c2ccc(Cl)cc2Cl)C1=O 1863116379 QIZCNVHBODZUSW-UHFFFAOYSA-N 440.311 5.323 30 10 IKEE N#Cc1ccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(Cc3ccccc3Cl)C2=O)cc1 1863173729 NYAULPFXNYGRSU-UHFFFAOYSA-N 448.309 5.257 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(F)cc2)=C(c2ccccc2F)C1=O 1863289998 AAJAQHQTKYJXQG-UHFFFAOYSA-N 440.534 6.298 30 10 IKEE CCCCCCCCCCNC1=C(c2cccc3ccccc23)C(=O)N(CCCCC)C1=O 1863579558 CUHVHMCADKGFLM-UHFFFAOYSA-N 448.651 6.840 30 10 IKEE CCCCCCCCCCNC1=C(c2cccs2)C(=O)N([C@@H](C)c2ccccc2)C1=O 1863805845 ILZXRKTXIRUOHT-FQEVSTJZSA-N 438.637 6.320 30 10 IKEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2C)[C@@H]1c1ccc(C(C)C)cc1 1864203057 VKZYXBCDEHPMEX-QFIPXVFZSA-N 438.616 5.023 30 10 IKEE N#Cc1cccc(Nc2cc(N3CC[C@@H](c4ccco4)C3)nc(-c3ccc(F)cc3)n2)c1 1868444864 FMQPBPUQMBYHFN-LJQANCHMSA-N 425.467 5.485 30 10 IKEE CCCCCCCOc1cn(CCCOC(C)C)c(CNc2ccc(C)c(F)c2)cc1=O 1870837537 KYUYFPBPRVXXMZ-UHFFFAOYSA-N 446.607 6.072 30 10 IKEE C#CCOc1cn(CCCOC(C)C)c(CNc2cc(C(C)C)cc(C(C)C)c2)cc1=O 1871006054 MYJKTKFYJHWZIF-UHFFFAOYSA-N 438.612 5.534 30 10 IKEE C#CCOc1cn(Cc2ccccc2C)c(CNc2cc(C(C)C)cc(C(C)C)c2)cc1=O 1871007319 WENXSKXJUAUBOS-UHFFFAOYSA-N 442.603 6.076 30 10 IKEE CC(C)(C)Oc1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2ccccc2)C4=O)cc1 1871345205 XQQQVLGZMFDKHQ-MYYYXRDXSA-N 441.527 5.832 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc3c2CN(C24CC5CC(CC(C5)C2)C4)CO3)C1=O 1871353882 ZUOCMEUDNCURRB-AFPJDJCSSA-N 433.573 5.793 30 10 IKEE CCc1ccc([C@H](C)N2COc3c(cc4c(c3C)O/C(=C\c3cccc(C)c3)C4=O)C2)cc1 1871360271 ZQWCMTYKGLFFNC-ANRZFROFSA-N 439.555 6.395 30 10 IKEE Cc1c(OC(=O)c2cccc(Br)c2)ccc2c1O/C(=C\c1cccs1)C2=O 1871364541 QWJKOTJRNWPCKA-WQRHYEAKSA-N 441.302 5.654 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc2c(c1C)O/C(=C\c1ccccn1)C2=O 1871371029 HHZRYOQWDVSRKV-KQWNVCNZSA-N 429.472 5.079 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4cccc([N+](=O)[O-])c4C)c3C)C2=O)cc1 1871373399 DPGUSNAPIBAPKW-UCQKPKSFSA-N 443.455 5.609 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4cccs4)ccc3C2=O)cc1 1871381115 OOMYIBNXMJYTCB-WXCADIDISA-N 445.540 5.829 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(OCC(C)C)cc4)c3C)C2=O)c1 1871382958 HUOQMRUCGPHRFG-MYYYXRDXSA-N 442.511 6.174 30 10 IKEE C[C@@H]1C[C@@H](C)CN(Cc2c(O)ccc3c2O/C(=C\c2ccc(-c4ccccc4)cc2)C3=O)C1 1871396406 DEHKROJBJUEZOO-QCIBADAUSA-N 439.555 6.153 30 10 IKEE Cc1cc(OCc2ccc(C(=O)OC(C)C)cc2)cc2c1C(=O)/C(=C/c1cccc(F)c1)O2 1871414613 OWYRXYASOZEBJI-CFRMEGHHSA-N 446.474 5.895 30 10 IKEE CCCCc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2cccs2)C3=O)cc1 1871455601 WBSCPEPJHGODGO-HAHDFKILSA-N 447.556 6.033 30 10 IKEE CCc1ccc(-c2csc([C@@H](C#N)C(=O)COc3cc(Cl)ccc3Cl)n2)cc1 1872761091 GFIZVOFZOVAVPJ-INIZCTEOSA-N 431.344 5.935 30 10 IKEE CN(C)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 1872778348 JKKVDDKGTZSGDH-QHCPKHFHSA-N 439.540 6.158 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3cc(Cl)ccc3Cl)n2)c(C)c1C 1872778500 MLYUJSSSFSSOHU-QGZVFWFLSA-N 445.371 6.161 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)c3ccc4cc[nH]c4c3)n2)cc1C(C)C 1872779103 BNWDJIRJTUBOID-FQEVSTJZSA-N 429.545 6.222 30 10 IKEE COc1c(Cl)cc(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)s3)n2)cc1Cl 1872785694 TWVHTPWDGFILQG-SECBINFHSA-N 443.764 6.330 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccc(Cl)cc3)n2)cc1Cl 1872785968 YBSOUSVXKXLYQF-MLGOLLRUSA-N 447.343 5.769 30 10 IKEE CSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1/N=C/c1cc(C)ccc1O 1874195497 RCLWVSLQBIRSLY-PCLIKHOPSA-N 438.597 5.205 30 10 IKEE C=C(C)CSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1ccc(C)cc1 1874225576 RRIJUJDXPNCFRS-WGOQTCKBSA-N 434.609 5.765 30 10 IKEE C=CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccc(OCC)cc1 1874244741 MVMSNFQQLIWINE-YZSQISJMSA-N 436.625 5.596 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(C)c3)n2/N=C/c2ccccc2O)cc1 1874388554 RIKJPOJEJFMYIO-WGOQTCKBSA-N 428.561 5.366 30 10 IKEE CCCOc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCC)cc1OCC 1874412757 PEJLZOVYVOKUOU-PXLXIMEGSA-N 430.599 5.112 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCc3ccccc3Cl)nnc2-c2ccccc2)c1 1874428373 GHKLVTXIEBZTRG-AFUMVMLFSA-N 434.952 5.787 30 10 IKEE O=C(O)c1ccccc1/C=N/n1c(SCc2ccccc2Cl)nnc1-c1ccccc1 1874428549 OALDTEIIKBHAJA-AFUMVMLFSA-N 448.935 5.471 30 10 IKEE CSc1nnc([C@@H]2CCCO2)n1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1874441980 OSMXBONYELZRGH-LRULAXNGSA-N 444.560 5.466 30 10 IKEE Cc1ccccc1CSc1nnc(C2CCCC2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874452175 HWAVNPKDMRMHHL-WPWMEQJKSA-N 432.637 6.716 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CCC2)cc1 1874497123 VUSKYVNGIZEQJH-WGOQTCKBSA-N 428.561 5.882 30 10 IKEE CCCN(CCC)C(=O)CSc1nnc(C(C)C)n1/N=C/c1ccc(C(C)(C)C)cc1 1874514809 ICOOQEQOSVEWHM-PCLIKHOPSA-N 443.661 5.322 30 10 IKEE COc1ccccc1C(=O)/C=C/c1c(OCC(=O)Nc2nccs2)ccc2ccccc12 1874577086 VSNHWCIRRYJXTP-VAWYXSNFSA-N 444.512 5.219 30 10 IKEE Cc1ccc(NC(=O)COc2cccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)c2)cc1C 1874599645 XJXQRPHJDNHXTH-ACCUITESSA-N 441.571 6.451 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccccc1 1874610470 UQDMMJTYBFYEJN-XNTDXEJSSA-N 429.472 5.807 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cc(OC)c(OCc3ccccc3)c(OC)c2)c1 1874619200 OTOSZWRXNNCGCB-ZRDIBKRKSA-N 434.488 5.196 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)ccc1OCc1ccc(F)cc1 1874639181 MQIIYPHCEARWDX-BJMVGYQFSA-N 426.871 5.971 30 10 IKEE CCCOc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)OCO4)c2)cc1 1874707580 LQUVUWTYQYTVBC-XYOKQWHBSA-N 444.483 5.248 30 10 IKEE COc1ccccc1CC(=O)Oc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OC 1874709287 FFNJRXCWBBWKGR-YRNVUSSQSA-N 438.426 5.026 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2cccc(OC(=O)Cc3ccccc3[N+](=O)[O-])c2)c1C 1874710839 KZNLOFAFXZLINQ-OUKQBFOZSA-N 443.499 5.873 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cccc(OC(=O)CCCOc2ccccc2)c1 1874713431 VYVWWEHILRCMBP-CCEZHUSRSA-N 444.527 5.973 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@H]2C[C@H]2c2ccccc2Cl)cc1)c1cccc([N+](=O)[O-])c1 1875085247 WPKANUCYCOIIIX-BYSZYJCHSA-N 447.874 5.853 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)cc2F)c(Cl)c1)c1ccc2ccccc2c1 1875096586 VHVBKNAGHRRMIT-VZUCSPMQSA-N 448.852 6.887 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)cc2)cc1)c1cccc(Br)c1 1875114079 CLQAHRKCWFUMEB-AWNIVKPZSA-N 425.253 5.704 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1 1875120323 OFWBFEHODPHRNV-XNTDXEJSSA-N 428.434 6.162 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc(F)cc1F 1875120358 QHGWUAQKCCVSTN-XCVCLJGOSA-N 433.237 6.387 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3F)cc2Cl)c1 1875120745 INUIYDZGSYXNEO-WEVVVXLNSA-N 440.873 6.279 30 10 IKEE O=C(Cc1ccccc1Cl)Oc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1 1875134034 JLOXFTCULAFFKG-KPKJPENVSA-N 445.729 6.691 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)c(Cl)c3)cc2)c1 1875135191 FGISIPLJXQTKDO-MDWZMJQESA-N 441.310 6.507 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)c1ccc(C)c(C)c1 1875138473 XGEXKNBDJFVTCM-PKNBQFBNSA-N 448.946 6.698 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2cccc(F)c2)c([N+](=O)[O-])c1 1875142954 BISFECSJYNJLPJ-VQHVLOKHSA-N 435.407 5.166 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3cc(OC)ccc3OC)cc2)c1 1875145337 HDNCPKJYDSEURZ-NTEUORMPSA-N 446.499 5.147 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)COCc3ccccc3)c([N+](=O)[O-])c2)cc1C 1875174972 RXTHAURHKWYKBZ-FMIVXFBMSA-N 445.471 5.230 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3c(C)cc(C)cc3C)cc2Cl)cc1 1875182772 UNRZHTSMOVHVIA-VZUCSPMQSA-N 434.919 6.389 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)cc(OC)c1OC(=O)CCCC 1875186275 MUHOTRWXDBVYDZ-ZRDIBKRKSA-N 442.939 6.077 30 10 IKEE C[C@H]1[C@@H](Nc2ccc(C#N)c(Br)c2F)CC(C)(C)CN1Cc1ccccc1 1916245303 DUSQWTUCUPZAQQ-KXBFYZLASA-N 430.365 5.561 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C1(C)C 1947970373 IBXZXVFOJXJPHH-QHCPKHFHSA-N 449.979 5.763 30 10 IKEE N#Cc1csc([C@@H]2[C@@H](C(=O)O)CCN2C(=O)OCC2c3ccccc3-c3ccccc32)c1 1952915137 XTDXWAPEMVRTJR-REWPJTCUSA-N 444.512 5.016 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C(F)(F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2012268253 PSHUIHMKNJYVES-SFTDATJTSA-N 438.559 5.020 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 2040976103 CSWQZNPQCRJTGB-HBNMSFMJSA-N 441.572 5.276 30 10 IKEE CSCCCN1C(=O)C(=Cc2cccc(Cl)c2)SC1=Nc1cccc(C)c1C 2053624466 LMRUFPSHQNSKSO-UHFFFAOYSA-N 431.026 6.314 30 10 IKEE C=CCC1([C@@H](O)c2c(Cl)ccc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2058340074 QRZGHSMMQYMFHD-HNNXBMFYSA-N 434.733 5.088 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 2059077669 XNUUKIPCPPIANZ-PXDATVDWSA-N 438.612 6.086 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CN(C(=O)OC(C)(C)C)[C@H]1C(C)(C)C 2076161743 UTXRTEZOXJHPJD-DFBJGRDBSA-N 443.588 5.664 30 10 IKEE Cc1cc(C)c([C@H](C(C)C)n2nc(C(C)C)c(C#N)c2I)cc1C 2079137943 FELHNOLLLWGDEV-IBGZPJMESA-N 435.353 5.653 30 10 IKEE CC(C)[C@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)(F)F)c(C(=O)O)c1Cl 2079970237 PHMAHYGOXCXEMR-LLVKDONJSA-N 432.723 5.657 30 10 IKEE CC(C)(C)c1nn([C@H](c2ccc(C3CCC3)cc2)C2CC2)c(Br)c1C=NO 2079983653 FCFRJWOREKOEHO-LJQANCHMSA-N 430.390 6.018 30 10 IKEE CCOc1ccc([C@H](C2CCC2)n2nc(C3CC3)c(C#N)c2I)cc1 2080095750 RKSXJKZMJGNNFJ-IBGZPJMESA-N 447.320 5.025 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(Cl)ccc(Br)c1F 2122155140 YWVBUVJPEVFHDT-YOEHRIQHSA-N 447.776 5.199 30 10 IKEE C#CCCCC[C@@H](NCCC)c1ccc(Br)cc1I 2142286679 GRWFBNRVSNFMNO-MRXNPFEDSA-N 434.159 5.288 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1nc(CCC)[nH]c1Br 2143951220 KPKUUIPDCPMUOZ-ZBFHGGJFSA-N 443.430 5.025 30 10 IKEE C=C([C@@H](NCCC)[C@@H](O)c1scc(Br)c1Br)C(C)(C)C 2152975374 BURITSSTSAQMIG-CHWSQXEVSA-N 425.230 5.277 30 10 IKEE CCC[C@@]1(CNc2cc(Br)ccc2C#N)CCCN(C(=O)OC(C)(C)C)C1 2162414624 LBICZLMXLUVOLP-NRFANRHFSA-N 436.394 5.550 30 10 IKEE CC(C)(C)OC(=O)N1CCc2c(cccc2Nc2ccc(C#N)c(Br)c2)C1 2162420418 VCCPXXYEFCCKNW-UHFFFAOYSA-N 428.330 5.358 30 10 IKEE CCN(c1ccc(C#N)cc1Br)[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 2174808495 OWISXNGFXQMWSE-FUHWJXTLSA-N 436.394 5.231 30 10 IKEE CC(C)N(C[C@@H]1CCCN(c2ccc(Br)cc2C#N)C1)C(=O)OC(C)(C)C 2174814638 KAEXJGIMENGNFM-MRXNPFEDSA-N 436.394 5.183 30 10 IKEE CC1(C)OB(c2cccc(COCc3cc(Cl)ccc3Br)c2)OC1(C)C 2200741500 SZEDWHDNKKIFAN-UHFFFAOYSA-N 437.570 5.119 30 10 IKEE C[C@@H](c1ccc(NC(=O)OC(C)(C)C)cc1)[C@H](O)C#Cc1ccccc1Br 2235742409 XNGZGBUOZXWAED-MGPUTAFESA-N 430.342 5.312 30 10 IKEE C=C(CC)C[C@@H](NCCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237421541 HZMKEVNFPPDEEB-WOJBJXKFSA-N 439.438 5.609 30 10 IKEE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)C(=O)C1=CCC(F)(F)CC1 2237423917 FBJUATKWXJKIOW-MRXNPFEDSA-N 444.316 5.200 30 10 IKEE C#CCCN(CC(C)(C)C)C(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21 2243914462 CGNALEBCTAXFOH-UHFFFAOYSA-N 446.591 5.203 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1sc(Br)c(C)c1C 2254670176 DOKXTAPLWPFKGV-CABCVRRESA-N 429.424 5.085 30 10 IKEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2255917365 AQKSVVBZPUZSSQ-CPJSRVTESA-N 443.588 5.603 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)c1sc(C)c(C)c1Br 2275815197 MGWLTDWEALUEIL-LJQANCHMSA-N 439.371 5.433 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1cc(Br)cc(C(C)(C)C)c1 2288667820 JWPZXVVNBZAGCE-MOPGFXCFSA-N 437.422 5.314 30 10 IKEE Cc1ccc(N=C2NC(=O)C(=Cc3ccc(Sc4ccc(Cl)cc4)o3)S2)cc1C 2293987122 NTALXADFGNBOSR-UHFFFAOYSA-N 440.977 6.593 30 10 IKEE C[C@H]1Oc2ccccc2C=C1C=C1Oc2cc(OCc3ccccc3Cl)ccc2C1=O 2296270519 QGGSZYAFSHPLCU-MRXNPFEDSA-N 430.887 6.243 30 10 IKEE CCOc1ccc(N=C2NC(=O)SC2=Cc2ccc(-c3nc4ccccc4s3)o2)cc1 2314487893 UJNCPXYFFDGOCC-UHFFFAOYSA-N 447.541 6.483 30 10 IKEE COc1ccc(C=CC(=O)Nc2sc(=S)c3c(c2C#N)CC[C@H](C)C3)cc1OC 2314792795 FCXQOTWHSVVYRA-ZDUSSCGKSA-N 426.563 5.143 30 10 IKEE COc1ccc(CN2COc3cc(C)c4c(c3C2)OC(=Cc2cccc(C)c2)C4=O)cc1 2321950373 IEPMWIURLWJLTN-UHFFFAOYSA-N 427.500 5.280 30 10 IKEE CC(C)(C)c1ccc(OCCCc2nnc(S)n2N=Cc2ccc(Cl)cc2)cc1 2322278347 MKULHTUAORZPDZ-UHFFFAOYSA-N 428.989 5.412 30 10 IKEE COc1cccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3cc(C)ccc3C)C4)C2=O)c1 2322413098 YYONMUXQRHNADH-UHFFFAOYSA-N 441.527 5.589 30 10 IKEE C=C(C)COc1c(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)cc1OC 2322474856 OSTQKLGTTRTBNM-UHFFFAOYSA-N 432.270 5.217 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(Cl)cc2)c1OCC(=O)Nc1ccc(C)cc1C 2322542257 LPSGXNQPJHGFEB-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2cccc3ccccc23)c1OCCc1ccccc1 2322724540 SYQYZGZMYRGTDG-UHFFFAOYSA-N 442.942 7.019 30 10 IKEE COc1cccc(C=CC(=O)c2cc(Cl)ccc2Cl)c1OCc1cccc(C)c1 2323009407 IHRFXXBCTWKDTE-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)cc1 2323190334 SMYHQHWVYIQWQU-UHFFFAOYSA-N 442.511 5.893 30 10 IKEE CCc1ccc(NC(=O)COc2cc(C=CC(=O)c3ccc(F)cc3)ccc2OC)cc1 2323218285 WFBJRHRHUWSKAH-UHFFFAOYSA-N 433.479 5.310 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OCCc1ccccc1 2323379543 MYICXFCHEOLNIY-UHFFFAOYSA-N 443.499 5.850 30 10 IKEE CCCCCCOc1ccc(C=Nn2c(S)nnc2Cc2cccs2)cc1OC 2323556552 ULTXCVVDZHJSMO-UHFFFAOYSA-N 430.599 5.069 30 10 IKEE CCCOc1c(OCC)cc(C=CC(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 2323589640 LRCWGPWLGOEEBJ-UHFFFAOYSA-N 434.286 5.441 30 10 IKEE CCCOc1c(OC)cc(C=NNc2nc(-c3cccc(OC)c3)cs2)cc1OC 2323865835 IQQALPWDZTZGTD-UHFFFAOYSA-N 427.526 5.071 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1F 2323890023 ZFQUWJQOGNNXQP-UHFFFAOYSA-N 445.317 7.006 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3cccc(C)c3)c([N+](=O)[O-])c2)c(C)c1C 2324305246 MJFSYZUGKOVXII-UHFFFAOYSA-N 431.488 6.004 30 10 IKEE COc1cc(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3)cc2)c(OC)cc1Cl 2324405674 JRDOJHVMENWKSX-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE COc1ccccc1C=C1Oc2cc(OCCOc3ccc(C(C)(C)C)cc3)ccc2C1=O 2324685706 CUAHLVRQFCXQPJ-UHFFFAOYSA-N 444.527 6.067 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)cc(OC)c1OCCCO 2324690458 KCSPIANFTLCWBF-UHFFFAOYSA-N 432.516 5.243 30 10 IKEE C=CCOc1ccccc1C=Nn1c(COc2ccc(Cl)cc2)nnc1SCCC 2325424760 ZMIYJIRWDYDAOJ-UHFFFAOYSA-N 442.972 5.460 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(F)c(Cl)c2)ccc2c1OC(=Cc1cccs1)C2=O 2325592971 DRLDJUGIDNJUJD-UHFFFAOYSA-N 443.883 5.483 30 10 IKEE COc1ccc(CCOc2cc(C)c3c(c2)OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)cc1 2325631829 MMNCPDAUCZJRMY-UHFFFAOYSA-N 442.555 6.539 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OC(=O)c1ccco1 2325701409 GCNXTLLYIBTJOY-UHFFFAOYSA-N 442.511 6.011 30 10 IKEE Cc1ccc(C(=O)Oc2cccc(C=CC(=O)c3cccc(Br)c3)c2)cc1C 2325720820 NELDZWPKJQCPLI-UHFFFAOYSA-N 435.317 6.181 30 10 IKEE COc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)Cc1ccc(C)c(C)c1 2325721084 ILPSKCHYNBFMDT-UHFFFAOYSA-N 445.471 5.264 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O 2325723307 WYUMLWFEHDDCLP-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC)c(OC(=O)C3CCCC3)c2)c1 2325758052 HLXOQMGBQAMPHM-UHFFFAOYSA-N 438.520 5.484 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cccc(OC(=O)c2ccc(N(C)C)cc2)c1 2325763525 XMFQADSBZGRXHH-UHFFFAOYSA-N 449.934 5.838 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)COc3cc(F)ccc3F)c2)c(C)c1 2325764920 KUXPOCNHNISSKT-UHFFFAOYSA-N 436.454 5.771 30 10 IKEE CCCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1N=Cc1ccco1 2325821047 HMCSKNHHQQCONX-UHFFFAOYSA-N 428.558 5.141 30 10 IKEE Cc1cccc(CSc2nncn2N=Cc2ccc(OC(C)C)c(Br)c2)c1 2326374768 MDHMQUSMPYFKRR-UHFFFAOYSA-N 445.386 5.311 30 10 IKEE C=C(C)CSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1ccccc1F 2326389272 JSVVZCDDVHPVKZ-UHFFFAOYSA-N 438.572 5.596 30 10 IKEE C=CCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccc(Cl)cc1 2327288832 CEEBMXKJCMAUCO-UHFFFAOYSA-N 426.973 5.596 30 10 IKEE CCCc1ccc(OCc2nnc(SCC)n2N=Cc2c(Cl)cccc2Cl)cc1 2327357802 OZBDKAVSNGSIHG-UHFFFAOYSA-N 449.407 6.111 30 10 IKEE CCCSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1c(F)cccc1Cl 2328568901 SHGYWLXXLVYALP-UHFFFAOYSA-N 432.952 5.444 30 10 IKEE Fc1ccccc1C=Nn1c(COCc2ccccc2)nnc1SCc1ccccc1 2329341351 QNTVMBBHUFJGPN-UHFFFAOYSA-N 432.524 5.309 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3C)n2N=Cc2ccc[nH]2)c1 2329488397 ADWCSHBGMGFQLX-UHFFFAOYSA-N 429.593 5.491 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2ccc(Cl)cc2)cc1 2329941798 IBWROFHBVUHJKZ-UHFFFAOYSA-N 447.007 6.314 30 10 IKEE Cc1cccc(C=Nn2c(SCc3cccc(C)c3)nnc2[C@@H](C)c2ccccc2)c1 2330073553 OVEHLLYCYULNOJ-NRFANRHFSA-N 426.589 6.221 30 10 IKEE Clc1ccc(CSc2nnc(CC3CCCCC3)n2N=Cc2cccs2)cc1 2330283259 VDWVYAMGBYYWSA-UHFFFAOYSA-N 431.030 6.290 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3)n2N=Cc2cccc(O)c2)c1 2330492931 IEHOOMKNQDYBGH-UHFFFAOYSA-N 428.561 5.366 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2c(F)cccc2Cl)cc1 2330625453 NSRRPRNAVSGMES-UHFFFAOYSA-N 436.943 6.221 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(OC)c2)cc(OC)c1OC(=O)c1cncc(C)c1 2330799103 LUIKEJAMYJOMLB-UHFFFAOYSA-N 443.499 5.251 30 10 IKEE CC(C)(C)Cc1nnc(SCCc2ccccc2)n1N=Cc1c(Cl)cccc1Cl 2330854857 MSIUXANELRPXCP-UHFFFAOYSA-N 447.435 6.391 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3OC)cc2)cc1C 2330855676 XMLXIGKIQVRMOJ-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3)c(OC)c2)cc1 2331212519 IBLLNJRPWIYCDO-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1Cl 2331224376 XYYZLSYZNBGBHJ-UHFFFAOYSA-N 426.984 7.509 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3C)c(Cl)c2)c1 2331320328 ZMDXBSGNTJSUKM-UHFFFAOYSA-N 432.947 6.700 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(CC(C)C)n2N=Cc2ccccc2C)c1 2331437776 BGDICROBHHOWCY-UHFFFAOYSA-N 435.597 5.015 30 10 IKEE COc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CCC2)cc1OC 2331541290 FEFFXURAHRSWNK-UHFFFAOYSA-N 442.972 5.391 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)Cc1ccc(C)cc1 2331657505 RRUGHLQRIBKKJB-UHFFFAOYSA-N 442.555 6.282 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc(C(=O)O)cc1 2331708798 ZYYIZXRZTBTHGX-UHFFFAOYSA-N 449.363 5.581 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1cccc(Cl)c1 2331709465 WQODTMNIZDQIBD-UHFFFAOYSA-N 439.799 6.536 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)C2CCCC2)c([N+](=O)[O-])c1 2331757415 VRKNUSVZNIJGNV-UHFFFAOYSA-N 443.883 5.557 30 10 IKEE CCC[C@H](CCNC(=O)OC(C)(C)C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339597622 YKOHFCOUBIDIBX-LJQANCHMSA-N 446.397 5.189 30 10 IKEE Cc1cc(COc2cc(NC(=O)OC(C)(C)C)c(C)cc2Br)ccc1C#N 2370438029 SQDNQWKVTCXLSK-UHFFFAOYSA-N 431.330 5.864 30 10 IKEE Cc1cc(C)c(/N=C/c2ccc(OC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1C 2165531 JJCIWJLUOGLHQQ-LGJNPRDNSA-N 427.331 7.280 30 10 IKEE Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(Cl)ccc2O)cc1 21220614 QDVSBPSYIXDVCY-WGDIFIGCSA-N 430.935 6.334 30 10 IKEE CCc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2Cl)cc1 21253941 WVLXGWIRERQJOY-XHCCPWGMSA-N 428.963 6.882 30 10 IKEE Cc1nn(C)c(C)c1CN/C(=N/C(=O)c1ccccc1Cl)Nc1cccc(Cl)c1C 32972629 YITTXOFEALIAPV-UHFFFAOYSA-N 444.366 5.050 30 10 IKEE CCCCOc1ccc(/C=N\Nc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)n2)cc1 33906587 DYLYMOZKIYGEOH-CEUNXORHSA-N 440.522 6.575 30 10 IKEE CC(C)CN(Cc1c(O)ccc2c1O/C(=C/c1c(Cl)cccc1Cl)C2=O)CC(C)C 37857766 AJCAPVNAIUJHEJ-LSHDLFTRSA-N 448.390 6.429 30 10 IKEE C=CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cccc(Cl)c2)cc1 39872399 WPAPYHPDMYEPGK-QHCPKHFHSA-N 443.886 5.761 30 10 IKEE C=CCOc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccccc2)cc1 39877921 YYGTWRFKMUXCCU-VWLOTQADSA-N 437.495 5.724 30 10 IKEE C=CCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2[C@@H]1c1cccc(OCCCCC)c1 39910815 DACAJFFBEPXDGL-QHCPKHFHSA-N 431.532 5.710 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)c(C)c2)[C@@H]1c1ccc(Cl)cc1 40091717 LYDXQEQWKOXNRZ-QFIPXVFZSA-N 441.955 5.816 30 10 IKEE CCNc1ncnc(Nc2cc(Cl)c([C@H](C#N)c3ccc(Cl)cc3)cc2C)c1N 40688620 XMWJMQVXKQOSQL-MRXNPFEDSA-N 427.339 5.505 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OCc3c(F)c(F)c(F)c(F)c3F)c2C)C1=O 41436008 CSLWESJAZATYPW-MFOYZWKCSA-N 446.371 6.194 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc4c3CN([C@H](C)c3ccccc3)CO4)C2=O)c(OC)c1 41654712 FVNMRFCTKNPQFJ-DPKCJYKSSA-N 443.499 5.233 30 10 IKEE Cc1cccc(CSc2nc3ccc(/N=C/c4cc([N+](=O)[O-])ccc4O)cc3s2)c1 59517207 CXHYKOWQIHXABW-FSJBWODESA-N 435.530 6.261 30 10 IKEE CCCCCCCCCCOC(=O)c1cccc(C(=O)OCCCCCCCCCC)n1 97996999 NANLAFURUSCYET-UHFFFAOYSA-N 447.660 7.677 30 10 IKEE biogenic CCCCCCCCCCOc1ccc(C2=N/C(=C\C=C\c3ccccc3)C(=O)O2)cc1 97997158 QUQXTDLJMPDNBJ-ALXOLRSRSA-N 431.576 7.107 30 10 IKEE CCCCCCCCCCCCCC(=O)Nc1ccc(NC(=O)c2cccc(C)c2)cc1 100442563 OIUNVCHIMNFKJE-UHFFFAOYSA-N 436.640 7.887 30 10 IKEE CCCCCCCn1c(CCCCCNC(=O)c2ccccc2Cl)nc2ccccc21 102166450 JRVFCQUAKBWDSX-UHFFFAOYSA-N 440.031 6.803 30 10 IKEE COc1ccc2c(c1)c(/C=C1\Oc3c(ccc(OC(=O)c4ccccc4)c3C)C1=O)cn2C 103024866 CCOKIEVNBZUBDJ-CFRMEGHHSA-N 439.467 5.331 30 10 IKEE CCCCCCCCCCOc1ccc(/C=C\C(=O)c2ccc(Br)cc2)cc1 105929715 DMTUOWAZJDFZSU-UNOMPAQXSA-N 443.425 7.865 30 10 IKEE Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N[C@@H](C#N)c1ccc(F)cc1F 111029620 NDBNVQYYVQBMSD-INIZCTEOSA-N 437.393 5.410 30 10 IKEE N#C[C@@H](C(=O)c1cc(Br)ccc1Br)c1ccc(F)cc1Cl 160726483 UGWJVCHZJVXRGC-GFCCVEGCSA-N 431.486 5.494 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2c2cccc(C)c2)c1 169930464 JZWJWLKOZNABTJ-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(OCc3ccccc3F)cc2)NC(=S)N1C 169935396 UOKIIUKNDGWIAJ-XMMPIXPASA-N 446.547 5.423 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccccc2)cc1 170032619 VOMOMAVFKVWXSZ-XMMPIXPASA-N 427.500 5.567 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(C(C)C)cc2)cc1C 170066510 VPHUKMCIMFELOX-ISKFKSNPSA-N 433.548 5.184 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@H]2c2ccccc2F)cc1 170072742 GPUCMNOUTAUHFU-QFIPXVFZSA-N 441.462 5.047 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 170076544 NIGFLOSWYTUSLC-HSZRJFAPSA-N 437.455 5.021 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2OC)cc1 170122492 KVCPZYVFZGHRSA-XMMPIXPASA-N 443.499 5.267 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccn2)cc1 170178023 ZZISZMPNBGFGQO-HSZRJFAPSA-N 446.503 5.022 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccccc2)cc1 170224924 FHTHWOVAAVBWCG-XMMPIXPASA-N 443.499 5.265 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2F)cc1 170249160 CWWIQXJRPRSRTO-QHCPKHFHSA-N 431.463 5.396 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@@H]1c1ccc(CC)cc1 170267676 DGYSGFHKLAJOMZ-DEOSSOPVSA-N 435.564 5.759 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccc(C)o2)c1 170300285 GYKYHNACIKKLNL-QHCPKHFHSA-N 431.488 5.467 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1Cc1cccs1 170312568 BVTJOUCXIBZGAR-KRWDZBQOSA-N 429.950 5.550 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2sccc2C)ccc1Cl 170314779 XVULNPZGUPFCSO-IBGZPJMESA-N 439.920 5.501 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(Cl)cc2)cc1 170453696 GDGXDTDJDOCXJO-HSZRJFAPSA-N 440.971 5.701 30 10 IKEE C=CCCCCCSC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 236442507 MTRRSKCSJFRTOK-QHCPKHFHSA-N 439.577 5.458 30 10 IKEE COc1ccccc1C=NNc1nc(-c2ccc(F)cc2)c(NC(=O)c2ccccc2)s1 254396422 OIWVXMWFQDKOLF-UHFFFAOYSA-N 446.507 5.656 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)ccc(F)c1Br 407262014 IVKBJKSCYSVCDU-PBHICJAKSA-N 433.337 5.237 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cn(C)c3ccccc23)cc1 526516492 PDWXSADAUPUGMG-AREMUKBSSA-N 449.510 5.506 30 10 IKEE CC(C)COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccs2)cc1 526606443 ZEXUBQLKBSLISY-HSZRJFAPSA-N 430.529 5.712 30 10 IKEE CC(C)c1ccc(NC2=C(Sc3ccccc3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 526635917 CTAGJXOBRHTJKL-UHFFFAOYSA-N 439.540 5.671 30 10 IKEE Cc1ccc(SC2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cc(C)cc(C)c3)C2=O)cc1 526659963 IRZNIDYUZQOYOC-UHFFFAOYSA-N 439.540 5.473 30 10 IKEE Cc1ccc(SC2=C(Nc3ccc(F)cc3F)C(=O)N(c3ccccc3C#N)C2=O)cc1 526663477 MGNROLJVLJOZQV-UHFFFAOYSA-N 447.466 5.134 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1ccccc1Cl 526813890 DFBULXCILJHYTI-YVNNLAQVSA-N 425.772 5.975 30 10 IKEE CCCCOc1cccc(/C=N\n2c(CC)nnc2SCc2c(F)cccc2Cl)c1 526817662 TUHBWZRCNHFOCV-QFEZKATASA-N 446.979 5.986 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1cccc(OC(C)C)c1 526824086 JIFVVWVQNJUPKS-MSXFZWOLSA-N 449.407 6.109 30 10 IKEE C[C@@H]1CCc2c(sc(NC(=O)COc3ccc4nc(-c5ccccc5)oc4c3)c2C#N)C1 586476969 RQXYMILFTUPJMW-OAHLLOKOSA-N 443.528 5.570 30 10 IKEE CC(C)COc1ccc(NC(=O)c2cccc(NC(=O)Nc3cccc(C#N)c3)c2)cc1 586729189 AUCFEWFHTDNPFQ-UHFFFAOYSA-N 428.492 5.489 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(/C=C\C(=O)c2ccc(Br)c(F)c2F)cc1 689598867 ICYJQOAUIHZFBS-WDZFZDKYSA-N 438.268 5.970 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@H]2CCCN2C(=O)OC(C)(C)C)c1 698427678 JTMJSMQRIWZERZ-DVECYGJZSA-N 445.560 5.118 30 10 IKEE CCCCCCCCC[C@@H](O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 702385029 RXKKVZPTMZEOOJ-ZEQKJWHPSA-N 432.649 5.657 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C=O)(Cc1ccc(Br)c(F)c1F)C2 712706787 WXFGGQOXLSZFGG-KBPBESRZSA-N 444.316 5.017 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C1 724032777 NERYCQQFKMZKMV-HJPURHCSSA-N 433.524 5.297 30 10 IKEE CC[C@@H](C)NC(=S)/C(=C(/O)c1ccc(C#N)cc1)[n+]1ccc(Cc2ccccc2)cc1 762440461 MTMNQBIPSMIEII-LJQANCHMSA-O 428.581 5.036 30 10 IKEE Cc1cc(C)c(NS(=O)(=O)c2ccc(N=Cc3ccc([N+](=O)[O-])s3)cc2)c(C)c1 1084217014 KNZSOWWNEFHBLE-UHFFFAOYSA-N 429.523 5.133 30 10 IKEE Cc1ccc(-c2nc(NN=Cc3ccc(Cl)cc3Cl)sc2-c2ccccc2)cc1 1084374099 ROYXVGXRBGTIFJ-UHFFFAOYSA-N 438.383 7.538 30 10 IKEE N#C/C(=N/OCc1c(Cl)cccc1Cl)C(=O)c1ccc(OC(F)(F)C(F)F)cc1 1615200285 SBLVKFPEHHXFSS-YSMPRRRNSA-N 449.187 5.509 30 10 IKEE O=C1/C(=C\c2cccnc2)SC(=Nc2nc(-c3ccccc3)cs2)N1C1CCCCC1 1772740203 YZNLYUUACHFIIV-RWYGKYMDSA-N 446.601 6.142 30 10 IKEE CCCCCCCCCCCNC(=O)c1ccc(NC(=O)[C@@H]2[C@H](C)[C@H]2CCCC)cc1 1775995513 QJRJGPHNFPYCFM-NQHRYMMQSA-N 428.661 6.958 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccc2OCc2cccc(C#N)c2)c1 1858754167 HFOSGVZDBKJFBP-UHFFFAOYSA-N 426.520 5.622 30 10 IKEE C=CCNC(=O)[C@H](CCCC)NC(=O)c1ccc2[nH]c(-c3ccc(C(C)(C)C)cc3)nc2c1 1861436202 BPCZLYOHJDAVCW-QFIPXVFZSA-N 446.595 5.118 30 10 IKEE CCCCCCCCNC(=O)[C@H](C)NC(=O)CCCOc1cc(C)c(Cl)c(C)c1 1861695551 ILJGQUAOKDSDFE-IBGZPJMESA-N 425.013 5.097 30 10 IKEE CCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)CCCOc1ccc2ccccc2c1 1861700389 SGGUGQZASZQIAW-VWLOTQADSA-N 438.612 5.467 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@@H]1c1cccc(O)c1 1862390078 VGIMALREZMOSKL-DEOSSOPVSA-N 435.564 5.893 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1cccc(OCC)c1 1862418542 JIIAAXBSTOMNDS-NRFANRHFSA-N 429.463 5.132 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CCCCCCC2)c1 1862429057 FEOVOYPXNTZXIK-QHCPKHFHSA-N 437.967 6.340 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@@H]1c1cccc(O)c1)c1ccccc1Cl 1862430900 VGRBYTWHXUXJDK-JOCHJYFZSA-N 439.939 5.737 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862446859 CIIRLDOVJMEVPT-QHCPKHFHSA-N 447.918 5.517 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCCC2)c1 1862480018 VVUSKYTZTOSVRW-DEOSSOPVSA-N 433.548 5.695 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)c1 1862501971 OOXZTDDKTRJFAG-XDHUDOTRSA-N 445.490 5.482 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(Cl)cc1 1862526202 CWYLUKOTBACEIR-GOSISDBHSA-N 448.744 5.337 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccc(CC)cc3)[C@@H]2c2ccccc2)cc1 1862531828 CSDRIVGMRMQIKL-NIYFSFCBSA-N 439.555 6.151 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc2cc[nH]c2c1 1862535467 ZZWFHBXWSHBHNH-XMMPIXPASA-N 430.548 5.889 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1cccc2ccccc12 1862561414 PQFDMYXCZVOPKB-WQWSHVPRSA-N 440.543 5.579 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2ccccc2F)cc1 1862590220 DMIPXJJSKVWJSN-UPCLLVRISA-N 445.490 5.433 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)c1 1862596754 OLKZKTKQFCQYKK-VXWZWFMZSA-N 449.547 5.338 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1cccc(OCCC)c1 1862621966 CCAOYLYRRBPGML-HSZRJFAPSA-N 433.548 5.537 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2C(=O)O)cc1 1862663835 CGXSMHDXHXCPPJ-QHCPKHFHSA-N 447.531 5.419 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862677098 YWWDUNDQFXOSGK-OSPHWJPCSA-N 445.490 5.564 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)cc1 1862703530 WBWFZTGNEJOGPQ-OZWPHOJSSA-N 433.548 5.415 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2C(C)C)cc1 1862709971 KIHXMOZIEZUTRC-QHCPKHFHSA-N 437.536 5.251 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc(Cl)c1 1862712722 YBCFGHBMEHJDAT-HSZRJFAPSA-N 449.934 5.497 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 1862751837 REIWMAOHLMTLEQ-OAQYLSRUSA-N 448.862 5.027 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3cccc4cccnc34)C2=O)c1 1863020034 DGAMNSLUGXRGOM-UHFFFAOYSA-N 444.494 5.120 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(Cl)cc3C)C2=O)c1 1863028172 VOTZGUAYMYQOBO-UHFFFAOYSA-N 441.918 5.534 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc3cccnc23)=C(c2cccs2)C1=O 1863469893 BGEWSLJFMNKBGG-UHFFFAOYSA-N 433.577 5.849 30 10 IKEE C=CCN(CC=C)c1cc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)nc(-c2ccccc2)n1 1869207754 JPZIKAVFJZOAJN-HSZRJFAPSA-N 446.982 5.553 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)c2c(Cl)ccc(Cl)c2Cl)n(C(C)(C)C)n1 1870000213 HGRQUQUCWIEFHG-UHFFFAOYSA-N 442.778 5.424 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)c2cccc(F)c2)n(-c2ccc(Cl)c(Cl)c2)n1 1870003492 AXTMCUWVXFTDGQ-UHFFFAOYSA-N 446.313 5.144 30 10 IKEE CCCCCCCCCCn1cc(C(=O)N(CCCC)CCCCCC)c(O)cc1=O 1870122301 HIQPWDGXECXNHD-UHFFFAOYSA-N 434.665 6.517 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(Cl)c(Cl)c2)cn1CCCCC 1870406536 SLMJLZLRRLMROL-UHFFFAOYSA-N 449.422 6.098 30 10 IKEE CCCCCCCCn1cc(OCCOC(C)C)c(=O)cc1CNc1ccc(C)cc1 1870987134 SQQGOXKRTLFZOC-UHFFFAOYSA-N 428.617 5.933 30 10 IKEE C=CCn1cc(OCCCOc2ccc(C)cc2)c(=O)cc1CNc1ccccc1C(C)C 1871216163 HXRMCDLQECXUMO-UHFFFAOYSA-N 446.591 5.926 30 10 IKEE CCc1ccc([C@@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2ccc(F)cc2)C4=O)cc1 1871354067 FYYDAHWHLMMJTR-YMKHCOABSA-N 429.491 5.917 30 10 IKEE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O 1871364800 TVORDSKNNZNTQA-SVKBEJCWSA-N 445.254 5.576 30 10 IKEE CCCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1 1871378647 XFWULBKPXWHWQP-YJCBZZKFSA-N 440.495 6.019 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc(C)c2C1=O 1871383114 DILRCMBQQIOJDD-NHDPSOOVSA-N 449.846 5.700 30 10 IKEE Cc1c(O[C@H](C)C(=O)Nc2ccccc2)ccc2c1O/C(=C\C=C\c1ccccc1)C2=O 1871404009 GHVJSYDAOQAFPV-IFKOUBOQSA-N 425.484 5.573 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)o2)C3=O)c1 1871410948 DZNDKYISPWRDEP-VLZFXTDASA-N 431.488 5.535 30 10 IKEE CCc1ccc(NC(=O)[C@H](CC)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871425581 GOARCWUSKAXXJU-IOOSODASSA-N 445.515 5.871 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O 1871430832 DYCSRUSVBNWYLB-ICODJCHTSA-N 447.918 5.979 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccc(C)o2)C3=O)c(Cl)c1 1871436273 STPUQIDNRUDJFY-FBHDLOMBSA-N 437.879 5.492 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OCc3cccc(Oc4ccccc4)c3)cc(C)c2C1=O 1871436746 NNIADZKWXWDYBU-QRQIAZFYSA-N 448.518 7.291 30 10 IKEE CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871447984 FKIYUPAEMIPUOY-BDFPJNNISA-N 441.483 5.220 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O)Nc1cc(Cl)cc(Cl)c1 1871452708 OXAKNCFSFWKQJK-WNFQYIGGSA-N 440.282 5.627 30 10 IKEE CCCCc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2cccs2)C3=O)cc1 1871455612 WYCFBPJMAHUENJ-HAHDFKILSA-N 433.529 5.724 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)c1 1871456170 QBECHNHBZUHMCR-QFEZKATASA-N 427.500 5.752 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(C(C)C)cc1)C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1871830024 PYNZBTRYNBHZDD-JOCHJYFZSA-N 449.016 5.303 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C(C)C)cc1)C(C)C)S(=O)(=O)c1ccc(C)cc1 1871830177 RFSFJQDPBHUCNN-XMMPIXPASA-N 442.625 5.349 30 10 IKEE COc1cccc(-c2csc([C@H](C#N)C(=O)c3c(Cl)ccc(Cl)c3Cl)n2)c1 1872761990 ARDSMVVSQYAZNB-GFCCVEGCSA-N 437.735 6.269 30 10 IKEE N#C[C@H](C(=O)CCCOc1ccc2ccccc2c1)c1nc(-c2ccc(Cl)cc2)cs1 1872767228 UYALUCKQNIICDE-JOCHJYFZSA-N 446.959 6.652 30 10 IKEE Cc1cc(-c2csc([C@H](C#N)C(=O)CCCOc3ccc4ccccc4c3)n2)ccc1F 1872772355 NQOWVNQLCJMZAQ-JOCHJYFZSA-N 444.531 6.446 30 10 IKEE CCCCN(CCC)CC(=O)[C@@H](C#N)c1nc(-c2ccccc2)c(-c2ccccc2)s1 1872799289 GMJLODAEOMDOEN-JOCHJYFZSA-N 431.605 6.165 30 10 IKEE CCCSc1nnc(C(C)C)n1/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 1873503703 WASTXFCJQJVNSC-ZVHZXABRSA-N 428.989 6.018 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)c(C)c2)cc2c(NCc3ccc(F)cc3)ncnc21 1873611599 IOIAFZNJHRBTQP-UHFFFAOYSA-N 449.917 5.583 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(OC)cc2)cc2c(NCCCCCCCC)ncnc21 1873620994 FOTLLEBAMMQVIZ-UHFFFAOYSA-N 435.572 5.651 30 10 IKEE COc1cccc(/C=N/Nc2ccnc(Cl)n2)c1OCc1ccc(Cl)c(Cl)c1 1873795457 KJTBEXYPFYLRLH-YSURURNPSA-N 437.714 5.470 30 10 IKEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3ccc(OCCCC)cc3)c(=O)oc2c1 1873954533 SUCFSAFFXSXRGR-UHFFFAOYSA-N 449.547 5.807 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccc(Cl)cc3)n2/N=C/c2ccccc2)cc1 1874280809 BVFYMDYZZWKRSK-WPWMEQJKSA-N 447.007 6.200 30 10 IKEE COc1ccccc1OCc1nnc(SCc2ccccc2)n1/N=C/c1ccc(C)cc1 1874288536 KPZMYXKROQBTGR-WGOQTCKBSA-N 444.560 5.349 30 10 IKEE CCSc1nnc(CCc2ccccc2OC)n1/N=C/c1c(OC)ccc2ccccc12 1874313085 BTYUXPCGVPPTMS-YZSQISJMSA-N 446.576 5.228 30 10 IKEE COc1cccc(/C=N/n2c(CCc3cccs3)nnc2SCc2ccccc2C)c1 1874368435 AHUGHPWLVIBOPV-PCLIKHOPSA-N 448.617 5.616 30 10 IKEE Cc1cccc(CSc2nnc(CCc3cccs3)n2/N=C/c2cccc(O)c2)c1 1874370386 WYKRXNAHNVHUQS-BUVRLJJBSA-N 434.590 5.313 30 10 IKEE COc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccc(C)cc2)c1OC 1874435623 PMXVPDDKWNFBDB-MFKUBSTISA-N 438.597 5.367 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CCCC)nnc2SCc2ccccc2F)cc1 1874476031 FLLPIEVAOAGGFC-YZSQISJMSA-N 440.588 6.113 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2ccccc2Cl)c1 1874483577 BYPHNMSHWTXGCF-ZMOGYAJESA-N 441.988 5.150 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1cccc(O)c1 1874486059 ZDSVKFFKYLIOSO-FOKLQQMPSA-N 435.380 5.763 30 10 IKEE COCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1cccc(F)c1 1874502535 MNBCBDJTCOXTKU-LSFURLLWSA-N 425.316 5.045 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc(O)cc1O 1874516697 CNEXWINHKWCEMP-LSFURLLWSA-N 437.352 5.294 30 10 IKEE Sc1nnc(C2CCC2)n1/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 1874559161 AQOSYBOQPUYSAP-FOKLQQMPSA-N 433.364 5.602 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCC(=O)OCCC)cc1 1874573719 BOMLKQJJCPBKET-OUKQBFOZSA-N 444.955 5.919 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCc2cccc(F)c2)cc1 1874576041 ULBOSGXQIXIZMS-DHZHZOJOSA-N 426.871 5.971 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccccc1OCC(=O)Nc1ccccc1F 1874585820 HAIGJCYKIXOJMU-OUKQBFOZSA-N 433.479 5.365 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCc2c(Cl)cccc2Cl)c(C)c1C 1874586225 BINFNSKJMTTWSW-ACCUITESSA-N 441.354 7.094 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3ccc(C)cc3)c2)cc1 1874594180 WWKIYKKNWGJAQR-OQLLNIDSSA-N 429.516 5.480 30 10 IKEE CCCN(CCC)C(=O)COc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OC 1874597605 VUXWMYSBBKWOGD-FYWRMAATSA-N 445.559 5.772 30 10 IKEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(Cl)cc3Cl)cc2)o1 1874605753 DMUPGEOJBLZCAB-ONNFQVAWSA-N 431.271 5.848 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OCc1c(Cl)cccc1Cl 1874619994 DALNEPKSEGSTMO-UXBLZVDNSA-N 445.317 6.925 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2Cl)c1C 1874625333 YAEAYJHVVZYULN-WUXMJOGZSA-N 437.898 6.010 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OCc1ccc(Cl)cc1 1874628992 HJALZRKIHOLYJD-UKTHLTGXSA-N 448.990 7.447 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)cc2)cc1C 1874636586 IMSDJXHVMMFGSR-DHZHZOJOSA-N 443.543 5.842 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OCc2ccccc2C)c([N+](=O)[O-])c1 1874639415 YPNAHIIRMOLLJF-JXMROGBWSA-N 437.879 6.040 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccc(OC)cc3)c2)cc1 1874694162 OQSOZMQURMKAEP-OQLLNIDSSA-N 430.500 5.310 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1OC(=O)Cc1ccccc1 1874695334 VSTOBADDBOTPJY-YRNVUSSQSA-N 441.310 6.046 30 10 IKEE COc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(Cl)cc3Cl)c2)cc1 1874695850 VJYAFEJECZBNAS-LFYBBSHMSA-N 427.283 6.117 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccccc3Cl)c2)cc1C 1874696343 UFIIFLWLFDNXKQ-DHZHZOJOSA-N 436.891 5.781 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2cccc(/C=C/C(=O)c3c(C)cc(C)cc3C)c2)c1 1874716551 XYIFIKRWLBWOQI-BUHFOSPRSA-N 442.555 6.581 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2cc(Br)c(O)c(Br)c2)c1C 1874719529 NHJQWVMPQAMIOF-AATRIKPKSA-N 438.159 6.047 30 10 IKEE C=CCN(CC=C)CCC(=O)c1cccc(OC(=O)CCCOc2ccc(Cl)cc2)c1 1874732864 KUNUJIGVGKYSJE-UHFFFAOYSA-N 441.955 5.351 30 10 IKEE Cc1cncc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)cc2Cl)c1 1875097720 ZLQDKFDPTXGPHK-UXBLZVDNSA-N 431.919 6.038 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)ccc1OC(=O)[C@H](C)c1ccccc1 1875101282 RDNMBONQOBPWGI-OCKXMSAZSA-N 430.500 5.699 30 10 IKEE Cc1ccsc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1 1875109166 ZNHTZLVLASHJAF-NYYWCZLTSA-N 427.319 5.934 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)c(C)c3)c(Cl)c2)cc1 1875114610 XZVJGGCWAMABES-NYYWCZLTSA-N 438.882 5.840 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)CCCOc2cccc(C)c2)cc1 1875118403 VJDLSZOFWJAZPA-SAPNQHFASA-N 430.500 5.664 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3ccccc3)c(OC)c2)cc1 1875129854 WZFHXTCAFDXRCK-XNTDXEJSSA-N 432.472 5.218 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(C)c3)cc2OCC)c1 1875142869 XKMXQSVSZDWBOV-UKTHLTGXSA-N 448.490 6.047 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(/C=C/C(=O)c3cccc4ccccc34)cc2)CC1 1875154115 PACWMXGDMYDISL-LTGZKZEYSA-N 440.583 7.638 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1OCC 1875189583 WWWHYIOHEZZNJC-RMKNXTFCSA-N 441.738 6.647 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc(OC)c1OC(=O)CCC 1875190684 LVSXFOJUESJZHE-DHZHZOJOSA-N 433.331 6.332 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2ccc(F)c(C)c2)cc1 1875192069 SCMUHGMEUVRIKS-IZZDOVSWSA-N 438.882 5.840 30 10 IKEE O=C(Cc1ccc(F)c(C(F)(F)F)c1)Nc1cccc(-c2ccc(C(F)(F)F)cc2)c1 1890676445 JMRFLJWCBQJTFN-UHFFFAOYSA-N 441.346 6.712 30 10 IKEE O=C(CCc1c(Cl)cccc1Cl)NCC#CCOc1cccc(C(F)(F)F)c1 1891124997 KOSWLQYOYGMPRT-UHFFFAOYSA-N 430.253 5.143 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](Cc2ccc(Cl)c(Br)c2)NCC)C1 1892684709 PYRSLHLMZYLFAI-KRWDZBQOSA-N 443.813 5.237 30 10 IKEE C=C(C)C[C@@H](NCC)c1sc(Br)c(Br)c1Br 1902378452 FUTQVTZUHIUMDY-SSDOTTSWSA-N 432.019 5.652 30 10 IKEE CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2014634274 FOEQNVUPKXKIBU-CYFREDJKSA-N 435.609 5.484 30 10 IKEE O=C(C=Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 2053611199 GUSXMQOYSGXSHA-UHFFFAOYSA-N 432.234 6.729 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(Cl)ccc(Br)c1F 2063094171 GRHZNFNATOXWQI-XJKSGUPXSA-N 435.765 5.362 30 10 IKEE Cc1ccc([C@H](C2CCC2)n2nc(C(C)C)c(C#N)c2I)c(C)c1 2079015942 CMQUHQABXNCUKV-IBGZPJMESA-N 433.337 5.489 30 10 IKEE CC(C)(C)c1nn2c(O)cc(-c3ccc(C(F)(F)F)cc3Br)nc2c1C#N 2080824246 JUDRSSLAPWWOHH-UHFFFAOYSA-N 439.235 5.052 30 10 IKEE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@@H](C#N)c1ccc(Cl)c(Br)c1F 2097606923 HPNSSPOXCRSWAB-FZMZJTMJSA-N 447.732 5.222 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1ccc2c(c1)CCC2 2152737010 DHCKEXHNGVDLKQ-FQEVSTJZSA-N 427.342 5.944 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@@H]1Nc1cc(Br)cc(C#N)c1 2162332748 AIIPQOLXJNKJHK-CRAIPNDOSA-N 434.378 5.206 30 10 IKEE N#Cc1cc(F)c(NC[C@]23CCC[C@H]2CCN3Cc2ccccc2)cc1Br 2197382557 PDQANSBCJGCIJZ-PGRDOPGGSA-N 428.349 5.317 30 10 IKEE CCCCCC#CC[C@@H](NCC)c1ccc(I)c(Br)c1 2203822904 LXXKGEDJINMJOD-QGZVFWFLSA-N 448.186 5.678 30 10 IKEE C#CCCCCC[C@H](NCCC)c1ccc(Br)cc1I 2207266839 HNGGXEUUQAZWGI-KRWDZBQOSA-N 448.186 5.678 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)CC[C@H](C)CCNC(=O)OC(C)(C)C 2235728790 RJJPPMUOENVUPF-PKOBYXMFSA-N 437.422 5.110 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)C[C@@H](CC(C)C)NC(=O)OC(C)(C)C 2235731386 PYYUJRHRRPDPST-RBUKOAKNSA-N 437.422 5.108 30 10 IKEE C=C(COCc1ccccc1)[C@@](C)(O)c1cc(Br)c(Br)s1 2241450426 RCJJBOONTGSXLJ-MRXNPFEDSA-N 432.177 5.254 30 10 IKEE C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2255851801 VYAPSIBNTCWYDO-KRWDZBQOSA-N 437.370 5.044 30 10 IKEE Cc1c(NC(=O)OC(C)(C)C)ccc(C(=O)NC2CC(B3OC(C)(C)C(C)(C)O3)C2)c1C 2268198895 XHHAHIMAZQNDKH-UHFFFAOYSA-N 444.381 5.005 30 10 IKEE N[C@@H](C#Cc1ccc(Br)cc1)c1cc(Br)cc(Br)c1 2278796421 NYDDNUICPKXXNN-HNNXBMFYSA-N 443.964 5.026 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)c1c(F)ccc(Br)c1F 2291120480 MNPHBMDBVPHWFQ-HXUWFJFHSA-N 441.268 5.033 30 10 IKEE COc1cc(C=C2SC(=Nc3ccccc3)N(c3ccccc3)C2=O)ccc1OC(C)C 2294769459 SYKIJTGLLQMAQW-UHFFFAOYSA-N 444.556 6.291 30 10 IKEE CC(C)(C)[C@H]1CCc2c(sc(NC(=O)C=Cc3c(Cl)cccc3Cl)c2C#N)C1 2295255395 AEFNJFRNTLIMGK-ZDUSSCGKSA-N 433.404 6.729 30 10 IKEE CN(C(=O)OC(C)(C)C)C1(C[C@@H](O)C#Cc2cccc(Br)c2)CCCCC1 2296228201 WOKDIXXZCLKOAA-IBGZPJMESA-N 436.390 5.121 30 10 IKEE C=CCOc1c(Br)cc(C=C2C=C(c3ccc(OC)cc3)OC2=O)cc1OC 2297315651 VGFZCNUHRWWHKC-UHFFFAOYSA-N 443.293 5.012 30 10 IKEE Cc1cccc(N=C2SC(=Cc3ccc4c(c3)OCO4)C(=O)N2c2cccc(C)c2)c1 2297455857 LECXDHANEYQVFW-UHFFFAOYSA-N 428.513 5.841 30 10 IKEE Cc1c(Cl)cccc1N=C1NC(=O)C(=Cc2ccc(-c3ccccc3C(=O)O)o2)S1 2297624422 GLTGDMUHVGRXHM-UHFFFAOYSA-N 438.892 5.498 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(=C(O)c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccccn2)cc1 2297747631 LTLUXBLODOXHJH-JOCHJYFZSA-N 446.934 5.659 30 10 IKEE CC(C)c1ccc(C=C2SC(=NCc3ccccc3)N(Cc3ccccc3)C2=O)cc1 2313518455 DPDSYBKOAZMJIH-UHFFFAOYSA-N 426.585 6.483 30 10 IKEE O=C(C=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(NC(=O)c2ccco2)c1 2314457078 XZVDMONATQLKKA-UHFFFAOYSA-N 428.400 5.596 30 10 IKEE C=CCC(CC=C)[C@@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2316714363 GJMMUXPYNGPZBW-SHQCIBLASA-N 441.660 5.292 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)C2(NC(=O)OC(C)(C)C)CCCC2)cc1 2318691714 UFKHDIHVNOCPPV-IBGZPJMESA-N 445.560 5.166 30 10 IKEE CCCCCCCCCOc1cccnc1NC(=O)C=Cc1ccc(OC)c(OC)c1 2318692539 GRJZJNBWHVUPCC-UHFFFAOYSA-N 426.557 5.880 30 10 IKEE N#Cc1nc([C@H]2C[C@@H]2c2ccccc2)oc1NN=Cc1ccccc1OCc1ccccc1 2320837435 VHQSYICHHYRWDB-PKTZIBPZSA-N 434.499 5.842 30 10 IKEE CC(C)[C@H]1C[C@@H](Nc2cc(Br)ccc2C#N)CN1C(=O)OCc1ccccc1 2321253449 QSUBRELURLHOEW-TZIWHRDSSA-N 442.357 5.168 30 10 IKEE COc1cccc(C=CC(=O)c2cc(C)ccc2C)c1OCC(=O)Nc1cc(C)cc(C)c1 2322624105 PDZCGKKECPIHJR-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE COC(=O)c1ccc(COc2ccc(Cl)cc2C=CC(=O)c2ccc(OC)c(F)c2)o1 2322708608 KYEKKKMHSDVLLT-UHFFFAOYSA-N 444.842 5.342 30 10 IKEE Cc1cc(OC(=O)c2ccc(C(C)(C)C)cc2)cc2c1C(=O)C(=Cc1ccccc1F)O2 2322736782 XTWARILDTJDVOX-UHFFFAOYSA-N 430.475 6.267 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(F)cc2)c1OCC(=O)Nc1cccc(C)c1C 2322748866 KGOGITTUUNOLKJ-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC)c2OCc2ccc(C)cc2)cc1C(C)C 2322805941 FTADBUPNEWPFEF-UHFFFAOYSA-N 444.571 6.919 30 10 IKEE CCCOC(=O)COc1c(C=CC(=O)c2cc(C)cc(C)c2OC)cc(Cl)cc1OC 2322853639 PTBHZYFBRPZHIG-UHFFFAOYSA-N 446.927 5.202 30 10 IKEE Cc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(Br)c2)C3=O)c1 2322880767 GMYHFHHESBCBFC-UHFFFAOYSA-N 449.300 5.901 30 10 IKEE C=CCOc1c(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc(Cl)cc1OC 2322969458 SZMYLHVHQXZWKO-UHFFFAOYSA-N 427.711 6.125 30 10 IKEE CCCN(CCC)C(=O)COc1ccccc1C=CC(=O)c1ccc(OC)c(Cl)c1 2322974827 KZEWWYFQSYJUBU-UHFFFAOYSA-N 429.944 5.272 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3cccc(C)c3C)c2)cc1 2323063348 HAERIKLVBCVRCZ-UHFFFAOYSA-N 443.543 5.788 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3cccc(C)c3C)c2)c(C)c1C 2323248435 PEDIZKGJBREUSE-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE Cc1c(OC(=O)c2cccc3ccccc23)ccc2c1OC(=Cc1ccccc1Cl)C2=O 2323481630 JBHROUBEPQCZHT-UHFFFAOYSA-N 440.882 6.637 30 10 IKEE COc1ccc(C=Nn2c(S)nnc2-c2ccccc2)cc1OCc1ccc(C)cc1 2323512415 NXEHHNMDALVQTG-UHFFFAOYSA-N 430.533 5.012 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1C 2323812820 PVSLJTJJQNOPGQ-UHFFFAOYSA-N 449.934 5.961 30 10 IKEE CCOc1cc(C=NNc2nc(-c3ccccc3OC)cs2)cc(Cl)c1OCC 2323865053 AZPWIZLLUIWSLD-UHFFFAOYSA-N 431.945 5.716 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])cc1 2323900790 SCYMOYPKRXHJRK-UHFFFAOYSA-N 444.487 5.379 30 10 IKEE CCCC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2)C3=O)cc1 2323936943 MAIVRCTUQGSWHD-UHFFFAOYSA-N 442.467 5.536 30 10 IKEE Cc1cc(O)c(CN2CCC(N(C)C)CC2)c2c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O2 2324162662 HBPQJPDBIAPEQE-UHFFFAOYSA-N 448.607 5.140 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(F)cc3)cc2Cl)cc1C 2324184242 MNZMETVLXIRZED-UHFFFAOYSA-N 437.898 6.010 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OCCOc4ccccc4)c3C)C2=O)c1OC 2324220618 IFGQDFPVJAGTHM-UHFFFAOYSA-N 432.472 5.086 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2C)C3=O)cc1 2324380978 RGFMHMCAQYQVAX-IBGZPJMESA-N 427.500 5.634 30 10 IKEE Cc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)OC(=Cc1cccc(F)c1)C2=O 2324407206 NMWKNWFKLJLFBF-QGZVFWFLSA-N 431.463 5.465 30 10 IKEE CCOc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3cccc(Cl)c3)cs2)cc1OC 2324474729 ODEOANCPOHAJSM-SFHVURJKSA-N 438.936 5.760 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1 2324478087 PYLVZCHYKYKSCX-LJQANCHMSA-N 439.511 5.827 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OCC(=O)Nc2cc(C)cc(C)c2)cc1 2324693850 LPOYRCYGVVPGTC-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(C(C)C)cc3)n2)c1C 2324719104 CUUBWSWLRVIUGM-QHCPKHFHSA-N 428.601 7.057 30 10 IKEE COc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccc(C(C)C)cc3)ccc2C1=O 2325318174 SZSVNIRFZKQQDX-UHFFFAOYSA-N 443.499 5.452 30 10 IKEE Oc1cccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccccc2F)c1 2325448843 RZNYLGUZDBGHFD-UHFFFAOYSA-N 432.524 5.083 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc(F)cc1 2325535525 RUGOKJAJJQVYIR-UHFFFAOYSA-N 437.371 6.241 30 10 IKEE CCCOc1ccc(C=Nn2c(CCC)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1 2325549763 BFDVGMOEVNEOKS-UHFFFAOYSA-N 439.541 5.102 30 10 IKEE CCOc1ccc(C=CC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1OCC 2325642693 LBMPHBAOHZXRJY-UHFFFAOYSA-N 442.726 5.665 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccccc3OC)c2)cc1 2325711410 LHMBHUCOSVCKGY-UHFFFAOYSA-N 428.528 6.082 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3ccc(C)cc3C)c2)cc1C 2325714679 VMINAFMHGVBOJM-UHFFFAOYSA-N 430.500 5.501 30 10 IKEE Cc1cccc(COc2cc(C)c3c(c2)OC(=Cc2cccc(Br)c2)C3=O)c1 2325720649 HDASWBWYOIIPKZ-UHFFFAOYSA-N 435.317 6.261 30 10 IKEE CCc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1 2325722596 WAOUUKMTYJRMIV-UHFFFAOYSA-N 431.463 5.330 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4cc(C)ccc4C)c3C)C2=O)cc1 2325740985 QXRYKSRPRATKFF-UHFFFAOYSA-N 427.500 5.554 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2ccc(F)c(C)c2)cc1OC(=O)C(C)C 2325741635 ORUGDKJKQRVVHI-UHFFFAOYSA-N 435.289 5.363 30 10 IKEE CCOc1ccc(C(=O)Oc2cccc(C=CC(=O)c3cc(OC)ccc3OC)c2)cc1 2325744343 PRHPBPSXRCEMPI-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1OC(=O)c1cc(C)cc(C)c1 2325755230 CZRFSPCMCCNBTL-UHFFFAOYSA-N 444.527 6.053 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2cccc(OC(=O)c3ccccc3C)c2)cc1Cl 2325759609 IVRQNVRFLWXIEK-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE CCOc1cccc(C=Nn2c(CC)nnc2SCc2cccc(Cl)c2)c1OC 2326468075 QZJQIZQNAJYGMT-UHFFFAOYSA-N 430.961 5.076 30 10 IKEE CSc1nnc(COc2cc(F)ccc2F)n1N=Cc1ccc(Cl)cc1Cl 2327410576 AEAZUOZAYNMYPN-UHFFFAOYSA-N 429.279 5.046 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccc(C)cc3)n2N=Cc2cccn2C)CC1 2328106723 MCAISBHJQIJZBX-UHFFFAOYSA-N 449.668 6.564 30 10 IKEE CCCCC1CCC(c2nnc(SCCCO)n2N=Cc2c[nH]c3ccccc23)CC1 2328193952 BZNAGFIMDQCZND-UHFFFAOYSA-N 439.629 5.580 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(Cl)cc3)n2N=Cc2ccc(O)cc2)cc1 2329069658 RFIUPVCGVZYMKF-UHFFFAOYSA-N 448.979 5.711 30 10 IKEE COc1ccc(Cc2nnc(SCc3cccc(C)c3)n2N=Cc2cccc(F)c2)cc1 2329252518 DCQVNJBYMMTGKN-UHFFFAOYSA-N 446.551 5.500 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccccc2F)n1N=Cc1sccc1C 2329703554 YMPIALMIFLVOMG-UHFFFAOYSA-N 436.581 5.861 30 10 IKEE Clc1ccc(CSc2nnc(CC3CCCCC3)n2N=Cc2ccccc2)cc1 2330283291 ZAJODOMGHJISOC-UHFFFAOYSA-N 425.001 6.229 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccccc3)nnc2C2CCCC2)cc1OC 2331071656 BAFQAPRTHLDRNV-UHFFFAOYSA-N 436.581 5.518 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 2331081403 YNMIBVPCVLQSPP-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1 2331189839 KPEWWRYZZZABSL-UHFFFAOYSA-N 430.544 6.103 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)c1cccc(C)c1 2331216506 HLRFCROZFYJWPW-UHFFFAOYSA-N 430.500 5.744 30 10 IKEE CCc1ccc(C(=O)Oc2c(OC)cc(C=CC(=O)c3ccc(C)cc3C)cc2OC)cc1 2331218585 LLZMBDPWFGWPHK-UHFFFAOYSA-N 444.527 5.998 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)c1cccc(C)c1 2331279420 WZRUPZVQRHJGPO-UHFFFAOYSA-N 434.919 6.471 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1ccc(N(C)C)cc1 2331349253 DJWVOKCNJCLIKJ-UHFFFAOYSA-N 433.479 5.324 30 10 IKEE Cc1ccc(C=Nn2c(CC(C)C)nnc2SCC(=O)Nc2ccc(C)c(C)c2)cc1 2331430760 WSPPGTOARDMNDC-UHFFFAOYSA-N 435.597 5.015 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)CCCCCC 2331508694 PHCACCITFOLLEJ-UHFFFAOYSA-N 448.603 7.319 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(Br)c1OC(=O)c1ccco1 2331533340 LBAWEDIQGQYSOP-UHFFFAOYSA-N 445.240 5.305 30 10 IKEE CCCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1N=Cc1cccc(Cl)c1 2331630347 ZHUBXKWXYOMTBS-UHFFFAOYSA-N 441.988 5.114 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)cc2)cc1OC 2331643790 RFRYOZGIKGWTDV-UHFFFAOYSA-N 444.527 6.053 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1C 2331706366 HUWMWJZRNRVSCS-UHFFFAOYSA-N 435.863 5.980 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(Cl)cc1 2331708665 HTSWUEKADXQRQN-UHFFFAOYSA-N 439.799 6.536 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(Cl)c2)cc(OC)c1OC(=O)CCCC 2331834865 MUHOTRWXDBVYDZ-UHFFFAOYSA-N 442.939 6.077 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)[C@H]1CCCO1 2331863759 BHPGXHMYUVTZKZ-HXUWFJFHSA-N 435.303 5.373 30 10 IKEE CC1(C)COC[C@]1(C#N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2336106431 RWAOAYCAJZTYQA-IXCJQBJRSA-N 443.543 5.444 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)cc(OC2CC2)c1 2362733397 WYNFEIMYIKHYFA-RBUKOAKNSA-N 439.394 5.110 30 10 IKEE CC1(C)C[C@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN(Cc2ccccc2)C1 2365104604 HVFFONBAMCKACS-QHCPKHFHSA-N 447.432 5.439 30 10 IKEE C#Cc1ccccc1NC(=O)c1cc(NC(=O)OC(C)(C)C)c(C)cc1Br 2365464756 MMDOUJZZGUQETR-UHFFFAOYSA-N 429.314 5.338 30 10 IKEE Cc1cc(Br)ccc1SCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2369003056 KRDBPADWYRGGQY-UHFFFAOYSA-N 437.183 5.488 30 10 IKEE C=C(C)COc1ccccc1NC(=O)c1ccc(OCCC(C)C)c(Br)c1 9823041 IEKSVDQQEMGUIF-UHFFFAOYSA-N 432.358 6.081 30 10 IKEE CN(Cc1ccccc1)CN1C(=O)/C(=N\c2cccc(Br)c2)c2ccccc21 16188604 JCENXUHHAPHPNN-LVWGJNHUSA-N 434.337 5.006 30 10 IKEE CCCOc1ccc(C(=O)/C(=C\c2ccc(OC)c(OC)c2)c2nc3ccccc3o2)cc1 33442617 QQASDACJHZEFFN-LTGZKZEYSA-N 443.499 6.057 30 10 IKEE C=CCOC(=O)c1sc2nc3c(c(-c4ccc(Cl)cc4)c2c1N)CCc1ccccc1-3 35148168 UZPKKRLVCWXTSE-UHFFFAOYSA-N 446.959 6.307 30 10 IKEE O=C(/C=C\c1ccc(Cl)cc1Cl)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 35223389 RZNXCPVJWOQYTG-WQLSENKSSA-N 438.376 5.454 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2)Oc2cc(OCc3c(Cl)cccc3Cl)ccc21 38320970 XMXGPPVVMIKCDA-FBHDLOMBSA-N 431.702 6.842 30 10 IKEE Cc1occc1C(=O)Nc1cccc(C(=O)/C=C/c2ccc(-c3cccc(Cl)c3)o2)c1 39850979 IBEUXIZBPVFBQL-CSKARUKUSA-N 431.875 6.650 30 10 IKEE COc1cccc(/C=C2\S/C(=N/c3cccc(C)n3)N(C3CCCCC3)C2=O)c1OC 39863613 MQBGZJYXHYUCAK-UVFCNREVSA-N 437.565 5.344 30 10 IKEE C/C(=C1/S/C(=N/c2nc(C)cs2)N(C2CCCCC2)C1=O)c1ccc(Cl)cc1 39865645 IREXALMUGFUKTE-FGJAPUQFSA-N 432.014 6.432 30 10 IKEE C=C(C)C(=O)NCCCCCc1nc2ccccc2n1CCCCOc1ccc(OC)cc1 40219845 BMOULJGUQXIIKY-UHFFFAOYSA-N 449.595 5.309 30 10 IKEE COCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(-c2ccccc2)cc1)C3=O 41649746 QAZRBYNPBSUKGO-IWIPYMOSSA-N 427.500 5.077 30 10 IKEE CCn1cc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(C(C)C)C4)c2cc(OC)ccc21 41651218 RQXIGSLTXFCDDF-RMORIDSASA-N 432.520 5.155 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)CSc2n[nH]c(N/N=C(/C)c3ccc(C)cc3)n2)cc1 59021225 SNZDJJMAVWFAGW-CVNUAIRLSA-N 436.585 5.194 30 10 IKEE Cc1ccc(C/N=C(/NCCC23CC4CC(CC(C4)C2)C3)Nc2ccc(C(=O)O)cc2)cc1 65304874 DVLPYYNERAKGGK-UHFFFAOYSA-N 445.607 5.857 30 10 IKEE O=C(/C=C\c1ccc(COc2c(F)c(F)cc(F)c2F)o1)c1cccc(OC(F)F)c1 96576926 ZPQAZEVZUSWPEK-SREVYHEPSA-N 442.311 5.913 30 10 IKEE CCCCCCCCCCCCn1c([C@H]2CC(=O)N(c3ccccc3)C2)nc2ccccc21 102198830 CQGARHUUYAUFDJ-DEOSSOPVSA-N 445.651 7.478 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)c1coc(-c2ccccc2N)n1 102436508 VDCURKFXSHIBKZ-UHFFFAOYSA-N 427.633 7.135 30 10 IKEE CCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 103748840 RIKNOWWHWGYWLN-UHFFFAOYSA-N 445.281 6.394 30 10 IKEE CC1(C)C(=S)N(c2cccc(C(F)(F)F)c2)/C(=N\C2CCCCC2)[C@H]1N1CCCC1 105421422 RXUHEUITNJXKRA-YADXCZPOSA-N 437.575 6.075 30 10 IKEE Cc1nn(-c2ccc(C#N)c(Br)c2)c2cccc(-c3cnc4ccccc4c3)c12 113807101 UMAPCEWHJJGZCC-UHFFFAOYSA-N 439.316 6.183 30 10 IKEE COc1cc([C@H](C#N)C(=O)c2cc(Br)c(Br)s2)ccc1C 128469834 CUOOZWYORPLESX-JTQLQIEISA-N 429.133 5.080 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)COCc1ccccc1 138374728 WKTSNDMBJVSMHE-HHHXNRCGSA-N 448.688 7.369 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccccc2C)cc1 169926516 DQMGOOZGYBTQNJ-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccc(F)cc2)c1 169929468 XYFDQDBAJUEQSH-QFIPXVFZSA-N 435.426 5.065 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1c1cccc(F)c1 169939885 JRRZDAXPCYYILJ-HSZRJFAPSA-N 442.446 5.099 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1ccc(C)cc1 169944752 PRLJZOLRAIIKBI-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE CN(C)c1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2ccccc2)cc1 169953475 YAUIAODCGRYQFA-AREMUKBSSA-N 448.522 5.689 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1cccs1)c1cccc(Cl)c1 169985392 CQGSUHUKXVJTBM-GOSISDBHSA-N 430.312 5.838 30 10 IKEE CCCCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccccn2)cc1 169993544 QFQFTKUEYOARGU-VWLOTQADSA-N 440.543 5.824 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2c[nH]c3ccccc23)cc1 170076639 BBICPZMJQSKZFM-QHCPKHFHSA-N 426.472 5.102 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1c1ccc(F)c(F)c1 170088127 TUDBMDKLBXZFCG-QHCPKHFHSA-N 445.421 5.802 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)o1 170100981 FBKXJOKRZCJPAU-OAQYLSRUSA-N 439.870 5.780 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1ccc(O)cc1 170131950 JIZYJHBMEQMVPH-QHCPKHFHSA-N 443.499 5.109 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1cccc(C)c1 170141024 RAUYVIOSRYOSBN-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2cccc(OC(C)C)c2)c1 170153373 HYCBIBFLPQMTLR-HSZRJFAPSA-N 437.536 5.251 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@@H]1c1cccc(OCC)c1 170217608 GRZXYUJGQTYIRN-NRFANRHFSA-N 443.927 5.126 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccccc2F)c1 170248477 IQTNACVBQSJOOW-VWLOTQADSA-N 441.502 5.796 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccc(O)c2)cc1C 170258671 KXNGJXRPEWMBCX-XMMPIXPASA-N 443.499 5.109 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2C2CCCCC2)cc1 170266595 JEOPQOXUYWMQJV-JOCHJYFZSA-N 434.492 5.068 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC(C)C)c3)[C@H]2c2ccco2)cc1 170284547 KYGCAUFDCQJDTA-HSZRJFAPSA-N 447.487 5.106 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccco2)c1 170285755 PFTREBDSWUGVRP-WAIKUNEKSA-N 429.472 5.003 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc(OCC(C)C)c3)=C(O)C(=O)N2c2ccccc2)o1 170302700 GEIXRASCYDTLNO-QHCPKHFHSA-N 431.488 5.406 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1sccc1C 170319428 QTKWVQNCYGTDIS-OAQYLSRUSA-N 441.593 5.921 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(N(C)C)cc1 170445376 KOIGMUKJTWCTNE-XMMPIXPASA-N 436.552 5.055 30 10 IKEE C=C(COCc1ccccc1)[Sn](CCCC)(CCCC)CCCC 196381369 AHCZOCVRUQJDJK-UHFFFAOYSA-N 437.256 7.148 30 10 IKEE CCCCCC(=O)/C=C\[C@H]1[C@H](OC(=O)c2ccc(-c3ccccc3)cc2)C[C@@H]2OC(=O)C[C@@H]21 200424948 KVAPQSSLLZXBHI-RNJIQGEESA-N 446.543 5.536 30 10 IKEE C=CCN1C(=O)/C(=C2/SC(=Nc3ccccc3)N(c3ccccc3)C2=O)c2ccccc21 252595045 BXXRDAYKUQBRGG-OHHJCTMOSA-N 437.524 5.398 30 10 IKEE Cc1ccc2oc(-c3cc(N=Cc4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3O)nc2c1 252608116 HGQFLTGOXZHPIC-UHFFFAOYSA-N 439.427 6.428 30 10 IKEE CC(C)(C)C1=CC(=NN=C(c2ccccc2)c2ccccc2)[C@@H]2CN=N[C@]2(C(C)(C)C)C1=O 254383163 AVACOHUQWPOENZ-DWACAAAGSA-N 440.591 6.302 30 10 IKEE CCCCCCCCCC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc(OC)c(OC)c1 254408222 GJFPSZBVNADEQP-UHFFFAOYSA-N 427.545 6.569 30 10 IKEE Sc1nc(-c2ccccc2)cn1N=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1 254506982 PTNOWZMVTBYZBJ-UHFFFAOYSA-N 446.579 7.191 30 10 IKEE O=[N+]([O-])c1ccccc1-c1ccc(C=NNc2ncnc3scc(-c4ccccc4)c23)o1 254759073 RFGYULNXBKUNBG-UHFFFAOYSA-N 441.472 5.973 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccc(F)c2)c1 526484892 BZAGQWVSFDEOCS-DEOSSOPVSA-N 428.463 5.543 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccc(O)c(OCC)c1 526817375 UZUFQXJAHNWMOJ-OYKKKHCWSA-N 444.988 5.553 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1ccc(Cl)c(Cl)c1 526819286 RADXOJWHHBIYOT-MSXFZWOLSA-N 433.408 6.329 30 10 IKEE CSc1nc(O)c(C(=O)NCc2cccc(Oc3cccc4ccccc34)c2)cc1C#N 552783379 SKPQKXJYPQMJDN-UHFFFAOYSA-N 441.512 5.256 30 10 IKEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)NC(c1ccccc1)c1ccccc1 585254371 UBEWBNMKRJFSKG-UHFFFAOYSA-N 438.449 5.176 30 10 IKEE C=C(C)CN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1cc(C)ccc1OC 586246330 ZVZMWAYWGCXOTQ-UHFFFAOYSA-N 437.561 5.354 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCN(C(=O)OC(C)(C)C)[C@@H]2C)c1 698426827 FYPWWQFRAOCFQI-OSPHWJPCSA-N 445.560 5.118 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 698490173 SFEAZNUPSOPOEH-NTKDMRAZSA-N 429.561 5.500 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[C@H]1Nc1ccc(Br)c(C#N)c1 709701569 PJRMJRIPMCJTGY-QXAKKESOSA-N 434.378 5.301 30 10 IKEE Cc1ccc(-c2nc(N=Cc3ccc(Cl)cc3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 1084092471 XGZYZURNRDQCOI-UHFFFAOYSA-N 447.947 7.406 30 10 IKEE O=C1C(=NNc2cccc(Cl)c2)c2ccccc2N1Cc1c(Cl)cccc1Cl 1084096895 VYFVFZLAMTUEKD-UHFFFAOYSA-N 430.722 6.010 30 10 IKEE CC1(C)Cc2cccc([C@H](C#N)OC(=O)[C@@H]3[C@H](/C=C(/Cl)C(F)(F)F)C3(C)C)c2O1 1615199683 OAVOLVCXKGWJOS-GLGOJELDSA-N 427.850 5.465 30 10 IKEE C#CCN(CC(=O)Nc1nc(C)c(Cc2ccc(C)cc2)s1)[C@H]1CCCc2ccccc21 1655692903 VFLASCXSINXIMR-DEOSSOPVSA-N 443.616 5.302 30 10 IKEE Cc1cccc(C[C@H]2SC(=NN=Cc3c(-c4ccccc4)[nH]c4ccccc34)NC2=O)c1 1772742034 VCCHRDVGIKCSBR-HSZRJFAPSA-N 438.556 5.308 30 10 IKEE C=CCN1C(=O)/C(=C/C(Cl)=C/c2ccccc2)SC1=Nc1ccc(O)cc1C(=O)O 1772761106 VTDNHPZJSIJIFQ-KRRCEEQHSA-N 440.908 5.003 30 10 IKEE N#Cc1ccc(NC(=O)c2cc(-c3cc(Cl)ccc3Cl)n(-c3ccccn3)n2)cc1 1859389225 MZLYFEMUWKIVNX-UHFFFAOYSA-N 434.286 5.365 30 10 IKEE Cc1cccc(Cn2nc(C(=O)Nc3ccccc3C#N)cc2-c2ccc(C(C)C)cc2)c1 1859398807 QFKLYMDPMJYSEK-UHFFFAOYSA-N 434.543 6.154 30 10 IKEE COc1c(Cl)cc(-c2nc3ccc(C(=O)Nc4ccccc4C#N)cc3[nH]2)cc1Cl 1861860661 OBJBWSKUDRRMDS-UHFFFAOYSA-N 437.286 5.669 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2[C@H](C)CC)cc1 1862385267 LAOHUDNQFLWLDH-ZUOKHONESA-N 432.347 5.933 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C2CC2)c1 1862386618 RAUNVRNTKCEEAO-FQEVSTJZSA-N 446.330 5.523 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2ccc(Cl)cc2)cc1 1862391536 CFAXQHLMNXDMRK-JOCHJYFZSA-N 441.955 5.297 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@@H]2c2ccc3c(c2)CCCN3C)cc1 1862395525 ZKQYBZCTAXGEFM-XMMPIXPASA-N 432.564 5.010 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2cccc(O)c2)cc1C 1862401184 VQYIKFRXICRQKT-BXKMTCNYSA-N 443.499 5.049 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2cccc(O)c2)cc1 1862489390 AVBPAIXTNJLWRP-VWLOTQADSA-N 441.527 5.138 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(Cl)cc2Cl)c1 1862498340 GGGMJYKZWXLCAT-NRFANRHFSA-N 444.358 6.131 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccccc2Cl)cc1 1862535753 JZKVXROFXNCNIC-XMMPIXPASA-N 445.946 5.723 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2ccc(Cl)cc2)c1 1862557970 RWOYJSABJCHOSN-JOCHJYFZSA-N 432.907 5.009 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCCOC(C)C)cc1 1862613739 OCOPKEDVUDQIGG-XMMPIXPASA-N 449.591 5.686 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CC)cc1 1862624665 MVOJKTXKYLOGDC-XMMPIXPASA-N 449.591 6.151 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2ccc(C)cc2)c1 1862698538 JPOLKAJUZSETKO-RUZDIDTESA-N 441.527 5.399 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1[C@@H](C)c1ccccc1 1862713831 XXRBBBXVDFBVBM-DCFHFQCYSA-N 447.534 6.488 30 10 IKEE CSc1cccc(NC2=C(c3ccc(C)c(C)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1862880170 ZZEKFIRVUPXVDO-UHFFFAOYSA-N 439.540 5.294 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H](C)CC)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863632615 BQYWGPDMMXBECF-HNNXBMFYSA-N 425.400 5.822 30 10 IKEE CCC[C@H](NC(=O)c1ccc(-c2cc3ccccc3[nH]2)cc1)C(=O)Nc1ccccc1C#N 1867062141 OUINCUFCIMOLTP-DEOSSOPVSA-N 436.515 5.244 30 10 IKEE CCCCCCCOc1cn(CCc2ccc(F)cc2)c(CN2CCCCCC2)cc1=O 1870413120 SABXIEVQUXNXIP-UHFFFAOYSA-N 442.619 5.955 30 10 IKEE C=CCOc1cn(CCc2ccccc2)c(CNc2ccc(OCCCC)cc2)cc1=O 1870809915 BOIUGVPVVISDRS-UHFFFAOYSA-N 432.564 5.447 30 10 IKEE CCCCCCCOc1cn(C[C@@H](C)O)c(CNc2ccc(Cl)c(Cl)c2)cc1=O 1870836214 JCKVZIJRESWXSM-MRXNPFEDSA-N 441.399 5.497 30 10 IKEE COc1ccc(CCN2COc3cc(C)c4c(c3C2)O/C(=C\c2cccc(C)c2)C4=O)cc1 1871345610 VCAJZYAXPIXTMF-MYYYXRDXSA-N 441.527 5.323 30 10 IKEE Cc1cc(OC(=O)/C=C/c2ccc(Cl)cc2)cc2c1C(=O)/C(=C/c1cccc(F)c1)O2 1871375150 VPCQKOORZMZVJK-JEUHMODBSA-N 434.850 6.023 30 10 IKEE CC(C)c1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871380498 QUTRVPKOZLYUMD-QLBSNTPRSA-N 444.914 6.698 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc(OC(=O)/C=C/c4cccs4)c3C)C2=O)cc1 1871380955 LNOZAXWSMRWTRS-OVXMHFCVSA-N 432.497 5.690 30 10 IKEE Cc1c(OC(=O)c2cccc(OCC(C)C)c2)ccc2c1O/C(=C\c1cccnc1)C2=O 1871381553 VTTJGJGCQZIQAX-FMCGGJTJSA-N 429.472 5.260 30 10 IKEE Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)c(C)c1 1871402283 HEBHLTJASUWVPC-DNNAEVNTSA-N 445.490 5.773 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(O[C@H](C)C(=O)Nc3ccccc3Cl)ccc2C1=O 1871406633 UEDOLHXJJMORIG-FAPYRAKZSA-N 439.920 5.732 30 10 IKEE CCOc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871408705 YXEJWVBJLHQCHM-PGECNJAHSA-N 447.487 5.317 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccccc1)C2=O 1871413205 BWJYUUKZDJVGDT-ICODJCHTSA-N 447.918 5.979 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCc4ccc(C(=O)OC(C)C)cc4)ccc3C2=O)c1 1871413787 BJTPJFHTAQGNJD-QFEZKATASA-N 428.484 5.755 30 10 IKEE Cc1oc2cc(OCc3ccc(C#N)cc3)ccc2c(=O)c1-c1ccc(Cl)c(Cl)c1 1871417578 KPDRNYZBWWUQQJ-UHFFFAOYSA-N 436.294 6.526 30 10 IKEE Cc1c(OC(c2ccccc2)c2ccccc2)ccc2c1O/C(=C\C=C\c1ccccc1)C2=O 1871430502 DHNZAGDWOWOMIU-CKPQILGOSA-N 444.530 7.336 30 10 IKEE Cc1cc(OCc2cccc3ccccc23)cc2c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O2 1871433868 JYRRYSCBQMKYMR-NTFVMDSBSA-N 434.535 7.467 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C)cc4Cl)ccc3C2=O)c1 1871436233 RKGQPQZIXQFYRO-FMCGGJTJSA-N 433.891 5.591 30 10 IKEE COc1ccc(C)cc1NC(=O)CCOc1ccc2c(c1C)O/C(=C\c1ccc(C)o1)C2=O 1871447038 NLXDSICMYAICQJ-UCQKPKSFSA-N 447.487 5.237 30 10 IKEE CCCCc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871455334 MXRQOMBCDVIKED-MYYYXRDXSA-N 445.490 5.802 30 10 IKEE C=CCN([C@@H](CC)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872225219 BTUIVHLFQPYMHS-QHCPKHFHSA-N 442.625 5.195 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc2[nH]c(-c3ccc(C(=O)OC)cc3)nc2c1 1872739655 XQQSWBLCKPLBLV-UHFFFAOYSA-N 435.568 5.887 30 10 IKEE CC(C)c1ccc(O[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 1872763385 KWYODRPAPWVYJI-YWZLYKJASA-N 435.505 5.485 30 10 IKEE CCc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2cccc(Br)c2)cs1 1872763692 RXVCTZBYSCLOMU-KRWDZBQOSA-N 441.350 5.390 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)[C@H](C#N)c1nc(-c2ccc(F)cc2F)cs1 1872766318 FKWVVXWUSGKAPR-NSHDSACASA-N 439.270 5.894 30 10 IKEE N#C[C@H](C(=O)c1ccc(-c2ccccc2)cc1)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872774174 JIZJBBATWPRIGT-OAQYLSRUSA-N 438.508 5.738 30 10 IKEE N#C[C@@H](C(=O)CCCOc1ccc(Cl)cc1)c1nc(-c2c[nH]c3ccccc23)cs1 1872777240 JCKKQGZVKSZYAI-SFHVURJKSA-N 435.936 5.980 30 10 IKEE COc1cc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(F)cc3)n2)c(OC)cc1Cl 1872782056 BUEZBKQXEMFEEH-CDVVCGDMSA-N 442.899 5.509 30 10 IKEE COc1c(Cl)cc(-c2csc([C@@H](C#N)C(=O)c3ccc(N(C)C)cc3)n2)cc1Cl 1872785728 UYNJLDLVRWTLKQ-HNNXBMFYSA-N 446.359 5.682 30 10 IKEE Cc1nc(SCc2ccc(C(=O)NCc3cccc(Cl)c3)cc2)c(C#N)c(C)c1C 1872895126 DCMHZKMDSLJAEK-UHFFFAOYSA-N 435.980 5.754 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2F)C(=O)N(CCC2=CCCCC2)C1=O 1873031100 LTUFTKHXTKTESQ-UHFFFAOYSA-N 426.576 5.746 30 10 IKEE C=CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C2CCCCCCC2)C1=O 1873169641 DRVHUGAICCEMHA-UHFFFAOYSA-N 431.580 5.063 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2F)=C(c2cc(F)cc(F)c2)C1=O 1873318686 YDNYXWMZOZZURP-UHFFFAOYSA-N 430.470 5.656 30 10 IKEE Cc1ccc(COc2ccc(/C=N/Nc3oc([C@H]4C[C@@H]4c4ccccc4)nc3C#N)cc2)cc1 1873470448 IFAOSZGUAQCAFJ-SVMVUZLFSA-N 448.526 6.151 30 10 IKEE CCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccc(Cl)c(Cl)c1 1874255225 QDLCKWXKXOLUJI-BHGWPJFGSA-N 449.407 6.083 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1ccc(OC)c(O)c1 1874287654 PSJBHKMRBOKMKK-LFVJCYFKSA-N 428.602 5.617 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1cccnc1 1874297773 TVDBHOQBZRTHQH-MZJWZYIUSA-N 447.539 5.183 30 10 IKEE CCCSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874332058 SGUVPZGACHOXPP-OVVQPSECSA-N 434.653 6.362 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2/N=C/c2ccccc2C)cc1 1874390317 HEACUNJTUVAJNK-JVWAILMASA-N 447.007 6.314 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2)n1/N=C/c1c(Cl)cccc1Cl 1874402715 KOXRLVQRNKXTIO-ZMOGYAJESA-N 431.392 5.921 30 10 IKEE CCOc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccc(C)cc2)cc1 1874415341 KPFBZSYCOBUPEH-OVVQPSECSA-N 442.588 5.751 30 10 IKEE Cc1ccccc1/C=N/n1c(Cc2ccccc2)nnc1SCc1cccc(Cl)c1 1874419364 JYZPRIYLQISYNT-WGOQTCKBSA-N 432.980 6.005 30 10 IKEE Fc1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2cccc3ccccc23)cc1 1874426438 IHJFCHFLSJPECH-OGLMXYFKSA-N 438.531 6.412 30 10 IKEE O=[N+]([O-])c1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2-c2ccccc2)cc1 1874428455 JSLXLJCDXIXLRA-ZVHZXABRSA-N 449.923 5.681 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccccc1Cl 1874440588 JVBSACVOSVQIEX-ZMOGYAJESA-N 433.408 6.348 30 10 IKEE CCCOc1ccc(/C=N/n2c(COC)nnc2SCc2ccccc2Cl)cc1 1874502038 MTBZLGLEBWTVHJ-YDZHTSKRSA-N 430.961 5.041 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(SCc2ccccc2F)nnc1C1CC1 1874519889 QATRMLQOARKOPH-VULFUBBASA-N 432.524 5.631 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(OC)c(OC)c1 1874526149 RPCMYSKIRTUPDG-MFKUBSTISA-N 432.549 5.185 30 10 IKEE Sc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(Cl)c(Cl)c1 1874568996 BJGIGFDLSTUIBQ-QPSGOUHRSA-N 448.162 5.642 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2cccc3ccccc23)c1 1874572236 CJTMPSCIABIIKY-WYMLVPIESA-N 428.915 6.977 30 10 IKEE Cc1ccc(C)c(COc2ccc3ccccc3c2/C=C/C(=O)c2ccccc2Cl)c1 1874575171 ZMWAVBHXNUTVMW-CCEZHUSRSA-N 426.943 7.585 30 10 IKEE CCc1ccc(NC(=O)COc2cccc(/C=C/C(=O)c3cc(C)cc(C)c3OC)c2)cc1 1874599670 YJXGAEJZIFWNGN-SDNWHVSQSA-N 443.543 5.788 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)cc1C 1874607303 HGSFTVKEIIZYAA-VQHVLOKHSA-N 440.898 6.280 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OCC(=O)N[C@@H](C)c1ccccc1 1874617766 SKARQKPJISASAA-KVDXNUTJSA-N 443.543 5.464 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(CC)cc1 1874625709 SCJOILKBWAOARM-VIZOYTHASA-N 447.506 5.700 30 10 IKEE C=C(C)COc1c(OC)cc(/C=C/C(=O)c2cc(OCC)ccc2OCC)cc1OC 1874630623 LGGXFAZZZPISSJ-PKNBQFBNSA-N 426.509 5.352 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OC(=O)c1cccc2ccccc12 1874699061 BMEASRLCJNRELB-WYMLVPIESA-N 442.898 6.617 30 10 IKEE COc1ccccc1CCC(=O)Oc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC 1874701435 SGSFKLMCXSRUGD-GXDHUFHOSA-N 444.527 5.755 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1OC(=O)COCc1ccccc1 1874704366 LPQANXWGIXNZTC-ZRDIBKRKSA-N 446.499 5.031 30 10 IKEE Cc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3cc(Cl)ccc3Cl)c2)cc1C 1874719008 VWIWSUIIESZWRP-DHZHZOJOSA-N 439.338 6.654 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3Cl)c([N+](=O)[O-])c2)cc1 1875100614 IZHUIGCRQWYNPT-UKTHLTGXSA-N 449.890 5.855 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)COc1cccc(C)c1C 1875142839 WJFGOXIKNNBHEG-XYOKQWHBSA-N 448.490 5.640 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)[C@H]2CCCO2)c(Cl)c1 1875161051 WCGFOVJZIYQFTE-BWAMLYQTSA-N 442.939 5.627 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] 1875162498 LBHFOIMVCLZIKA-IZZDOVSWSA-N 437.398 5.307 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)cc1 1875187016 JPXNEKCGYXIDPC-FOWTUZBSSA-N 428.956 6.901 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)C3CCC3)c([N+](=O)[O-])c2)c2ccccc12 1875192228 ACJZZIOJDYQNES-FMIVXFBMSA-N 431.444 5.358 30 10 IKEE C=CCn1c(C(=O)N(CC)CCCC)cc2c(NCCc3c[nH]c4ccccc34)ncnc21 1875227678 JHQNBUXMYMMCBL-UHFFFAOYSA-N 444.583 5.015 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@H](CNC(=O)OC(C)(C)C)CC(C)C)NCCC 1922072848 YJKCTMPNKOCJLY-DNQXCXABSA-N 432.649 5.705 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc([C@](C)(C#N)N(C(=O)OC(C)(C)C)C2CCCC2)c1 1940970732 LNNDCDZNNHQNKB-DEOSSOPVSA-N 429.561 5.952 30 10 IKEE CCCCCCCC[C@H](C(=O)O)N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 1995348964 FZENDSQGOHMCHZ-AREMUKBSSA-N 449.591 6.604 30 10 IKEE CN(CCC[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F)C(=O)OC(C)(C)C 2002694172 BEVZXENAWIIHSM-HSZRJFAPSA-N 435.540 5.497 30 10 IKEE CCSc1cccc(N(OCc2ccccc2)C2CN(C(=O)OC(C)(C)C)C2)c1C#N 2006997429 JXXPEJDNBSNWBR-UHFFFAOYSA-N 439.581 5.228 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@]1(CCC)CCCCN1C(=O)OC(C)(C)C 2007550995 OFEIEESKNDDWGO-BVAGGSTKSA-N 430.633 5.697 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C)NCCC 2013393860 LOAPTLVXVYAJCC-RJGXRXQPSA-N 430.633 5.457 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)[C@@H]1C(C)(C)C 2014554843 CLOWMXSDLVZGKS-MHECFPHRSA-N 435.609 5.484 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)CC12CCCC2 2037756245 GFCVMAODLUSYNH-QFIPXVFZSA-N 448.568 5.140 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21 2070325485 FDXXIQDBUNTIMS-MTPWMDRRSA-N 432.564 6.014 30 10 IKEE C#CC[C@H](C[C@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC)C1CC1 2076099357 PAYAWQVYQCUYPU-UBFVSLLYSA-N 442.644 5.294 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)C1CCC(F)(F)CC1 2087499354 LXEFINDIPYPUAI-MRXNPFEDSA-N 429.305 5.908 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Cl)c(Br)c1F 2097182891 ZIPGNFXPVBFMRB-YOEHRIQHSA-N 449.792 5.752 30 10 IKEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Cl)c(Br)c1F 2097184797 VYAJPASPMDHWBF-WMLDXEAASA-N 447.776 5.199 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H]3C[C@@H](OCc4ccccc4)C[C@@H]32)cc1 2133968250 KHABTUDYKULCHN-YQJHKJFNSA-N 448.563 5.714 30 10 IKEE CCN[C@@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)C1CCCCCC1 2142972059 XVZIFUVBLVSAQY-LJAQVGFWSA-N 446.683 5.463 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)Nc2ccc3ccccc3c2Br)C1 2197753593 NPJHKKRBJKMQNS-UHFFFAOYSA-N 431.330 5.154 30 10 IKEE C=CC[C@H](C)[C@H](NCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229128330 QUEIUIDHECNXNR-SNRMKQJTSA-N 425.411 5.075 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[C@@H]2Nc2ccc(C#N)c(Br)c2)C1 2233766065 WUPFOYDUNKVYRP-SUMDDJOVSA-N 434.378 5.158 30 10 IKEE CCc1ccc(C#C[C@@H](N)c2ccc(NC(=O)OC(C)(C)C)c(Br)c2)cc1 2239722221 OIZTVJZVQIYJSZ-LJQANCHMSA-N 429.358 5.410 30 10 IKEE N[C@@H](C#Cc1ccc(Br)cc1)c1cc(Br)cc(Br)c1 2278816076 NYDDNUICPKXXNN-HNNXBMFYSA-N 443.964 5.026 30 10 IKEE CCN(Cc1cccc(Nc2c(Br)cccc2C#N)c1)C(=O)OC(C)(C)C 2285181346 UAQINPZVJULKBZ-UHFFFAOYSA-N 430.346 5.821 30 10 IKEE CC=CC[C@H](NC(=O)OC(C)(C)C)[C@H](C#Cc1cccc(Br)c1)NCCC 2296265730 AHTHXHVXMMMJIP-PMACEKPBSA-N 435.406 5.028 30 10 IKEE O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@H](c2ccccc2F)C1=C(O)c1ccccc1 2296931269 BTYLXIZFJHYXTB-HXUWFJFHSA-N 448.450 5.201 30 10 IKEE Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccccc3)[C@H]2c2ccccc2Cl)cc1Cl 2297060180 HJHGJWDSOMTVAL-OAQYLSRUSA-N 438.310 5.928 30 10 IKEE CCOc1ccc(C=C2SC(=NCc3ccccc3)N(Cc3ccccc3)C2=O)cc1 2297324683 ZPQSHBUBRJJJCC-UHFFFAOYSA-N 428.557 5.758 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 2297333534 HJWJEHRGWLNEIU-XMMPIXPASA-N 440.455 5.086 30 10 IKEE Cc1cc(OCc2ccccc2)c(C(=O)C=Cc2csc(-c3ccccc3)n2)cc1C 2297450981 CSDZDOUGIQDPIS-UHFFFAOYSA-N 425.553 6.902 30 10 IKEE Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2C=C2Oc3ccc(Cl)cc3C2=O)c1 2314519385 LWWYBRLFWNRUKN-UHFFFAOYSA-N 426.903 6.426 30 10 IKEE COc1ccc2c(c1)OC(=Cc1ccccc1OC(=O)c1ccc(C(C)(C)C)cc1)C2=O 2314527342 QWWSHUJVZRRSQP-UHFFFAOYSA-N 428.484 5.828 30 10 IKEE CN1C(=O)C(=CC=Cc2ccccc2[N+](=O)[O-])SC1=Nc1nc(-c2ccccc2)cs1 2314543423 CWSACVAGZAKVFE-UHFFFAOYSA-N 448.529 5.508 30 10 IKEE CC(C)(C)Cc1nnc(S)n1N=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 2321937238 DYTQDYGOBYKSAD-UHFFFAOYSA-N 449.407 5.923 30 10 IKEE Sc1nnc(CC2CCCCC2)n1N=Cc1ccc(OCc2cccc(Cl)c2)cc1 2321958538 ITWSXGUJEKJISY-UHFFFAOYSA-N 441.000 5.804 30 10 IKEE Cc1cc(C)cc(OCCN2COc3cc(C)c4c(c3C2)OC(=Cc2ccccc2)C4=O)c1 2322193240 KGMKHQYOKYASHS-UHFFFAOYSA-N 441.527 5.459 30 10 IKEE O=C1C(=Cc2cccc(Cl)c2)Oc2c1ccc1c2CN(CCCc2ccccc2)CO1 2322214391 ABPBVAYPMQWRME-UHFFFAOYSA-N 431.919 5.741 30 10 IKEE COc1cccc(C(=O)C=Cc2c(OCC(=O)NC3CCCCC3)ccc3ccccc23)c1 2322371684 OTYIOIGXWRIWHY-UHFFFAOYSA-N 443.543 5.572 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCc3ccc(C)cc3)ccc3ccccc23)cc1F 2322708313 NOGHEKZWPQDQOZ-UHFFFAOYSA-N 426.487 6.771 30 10 IKEE O=C(Cc1ccccc1)Oc1ccc2c(c1)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2322884461 XYAGJGMRGCILRE-UHFFFAOYSA-N 425.267 5.758 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2)c(Br)c1OCc1ccc(C)cc1 2323127249 CILHJPCJTMCXJN-UHFFFAOYSA-N 437.333 6.241 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)C=Cc4cccc([N+](=O)[O-])c4)c3C)C2=O)cc1 2323437637 DZJIXRSXFPSANJ-UHFFFAOYSA-N 441.439 5.447 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)C=Cc1ccc(C(C)(C)C)cc1 2323439385 JTTMLLQCLFDSDY-XMMPIXPASA-N 428.661 6.149 30 10 IKEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccccc3)cc2Br)o1 2323809140 AJBKTEGRWJMNLM-UHFFFAOYSA-N 441.277 5.304 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Br)c1OCc1cccc(C)c1 2323813463 PTTPCQIPAXOULK-UHFFFAOYSA-N 437.333 6.241 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3F)c(Br)c2)cc1 2323900673 ZKAPQKAYBSPVII-UHFFFAOYSA-N 425.297 6.372 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OCC(=O)NCc3ccccc3)c(Cl)c2)c1 2323944068 KRNKYNUUCPLLNG-UHFFFAOYSA-N 433.935 5.548 30 10 IKEE O=C1C(=Cc2ccccc2F)Oc2c1ccc(O)c2CN1CCC(Cc2ccccc2)CC1 2324025566 RUHZFYYJEGSCOA-UHFFFAOYSA-N 443.518 5.602 30 10 IKEE COc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)c(OC)c1 2324352125 LHFZUXVLOHEOJE-QFIPXVFZSA-N 440.524 5.870 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)cc1C 2324628124 LQVHKUSKAZJFMN-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OCc4cccc(C(=O)OC)c4)c3C)C2=O)cc1 2324753335 WUGJEMNCQVDVLW-UHFFFAOYSA-N 428.484 5.539 30 10 IKEE CCCC[C@H](Oc1ccc2c(c1)OC(=Cc1ccccc1Br)C2=O)C(=O)O 2324778078 VZUDGKFFOXMTDX-KRWDZBQOSA-N 431.282 5.088 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OCC(=O)Nc4c(F)cccc4F)c3C)C2=O)c1 2325512554 CVGSTWDJZGHDPN-UHFFFAOYSA-N 435.426 5.215 30 10 IKEE O=C(C=Cc1ccccc1Br)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2325603472 OINJBJARSQBMDS-UHFFFAOYSA-N 432.623 5.342 30 10 IKEE Cc1cccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc4ccccc4c3)c2)c1C 2325700228 VYDDQJSJJMGLKU-UHFFFAOYSA-N 436.507 6.337 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)c1 2325706822 BZUHITACERWAFS-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2cccc(C=CC(=O)c3ccc(Cl)cc3)c2)cc1 2325730319 CQOKQHGUUASEEP-UHFFFAOYSA-N 448.946 6.563 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O 2325737265 LDOUSYCPECNHQB-UHFFFAOYSA-N 425.484 5.439 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)c1 2325740378 SKZZNGMEDYOWKC-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)c2cc3ccccc3n2C)c1 2325783477 QHBNDBHNNGKZQS-UHFFFAOYSA-N 445.902 5.956 30 10 IKEE CCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1c(C)n(CC)c2ccccc12 2326442712 UPDQMKCNFPCSQX-UHFFFAOYSA-N 431.609 5.915 30 10 IKEE CCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1c(F)cccc1Cl 2326519880 SPOUQIDWUBPFEO-UHFFFAOYSA-N 439.343 5.606 30 10 IKEE CCCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1cc(Cl)ccc1O 2327023141 XCOVBBDMBIJYHJ-UHFFFAOYSA-N 444.988 5.341 30 10 IKEE CCCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc([N+](=O)[O-])cc1 2327771830 BGVLXEAVBXFITA-UHFFFAOYSA-N 431.521 5.315 30 10 IKEE CCOc1ccc(C=CC(=O)Nc2cc(NC(=O)c3cccc(C#N)c3)ccc2Cl)cc1 2329854631 NZZRSKWBZJRWOC-UHFFFAOYSA-N 445.906 5.515 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2cccc(C)c2)cc1 2330002191 OJRZJONNVUUWQH-UHFFFAOYSA-N 426.589 5.703 30 10 IKEE C=CCSc1nnc(Cc2ccc(C)cc2)n1N=Cc1c(OC)ccc2ccccc12 2330009877 FTZULFNWVWVAKB-UHFFFAOYSA-N 428.561 5.499 30 10 IKEE CCSc1nnc(Cc2cccs2)n1N=Cc1ccc(OCc2ccccc2C)cc1 2330367249 HGBMEYUZCMZMPP-UHFFFAOYSA-N 448.617 5.812 30 10 IKEE Oc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2-c2ccccc2)c(O)c1 2330684803 IZPUBUNPBMYSPY-UHFFFAOYSA-N 436.924 5.184 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(OC)c3)cc2)cc1 2330710857 XWGAOGXIMSYIHW-UHFFFAOYSA-N 444.527 5.701 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3F)c(Cl)c2)c1 2330783059 YIQNISAWHCODIA-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE CCc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1 2330824620 AVFZNGOCRRCENU-UHFFFAOYSA-N 437.569 5.512 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)cc([N+](=O)[O-])c1OC(=O)c1ccccc1 2331071728 HGNCNHWTHVNUSK-UHFFFAOYSA-N 447.443 5.117 30 10 IKEE Fc1cccc(CSc2nnc(-c3ccco3)n2N=Cc2c(Cl)cccc2Cl)c1 2331187352 ZZPPJDRLISAGAQ-UHFFFAOYSA-N 447.322 6.159 30 10 IKEE Fc1cccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2-c2ccco2)c1 2331215981 JHIOYOVIXIQDSP-UHFFFAOYSA-N 447.322 6.159 30 10 IKEE Clc1cccc(CSc2nnc(-c3ccco3)n2N=Cc2cccc3ccccc23)c1 2331225414 QPZDPQJPZLYAAA-UHFFFAOYSA-N 444.947 6.519 30 10 IKEE Fc1cccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2-c2ccco2)c1 2331225757 ZSPMNAJCLXKEGN-UHFFFAOYSA-N 447.322 6.159 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccn2)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 2331245506 SWWJFBULSXIDCT-UHFFFAOYSA-N 443.242 5.412 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC(=O)[C@@H](C)c1ccccc1 2331376953 OWDNONBFNAPYEB-IBGZPJMESA-N 430.500 5.617 30 10 IKEE Cc1ccccc1CSc1nnc(CC(C)C)n1N=Cc1cccc(Br)c1 2331432002 KDGYDYZNGIYCFY-UHFFFAOYSA-N 443.414 5.722 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1cccc(Cl)c1 2331510058 SLTBHMQXRHMRBG-UHFFFAOYSA-N 434.919 6.587 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1C(C)C 2331688871 LYFZIEWFOKACIJ-UHFFFAOYSA-N 439.541 5.271 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc([N+](=O)[O-])c1OC(=O)c1cccnc1 2331708234 USUIAQPEBJNVGY-UHFFFAOYSA-N 446.459 5.121 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)Cc2ccc(C)c(C)c2)cc1 2331752694 ZWJDYORIIIWLKE-UHFFFAOYSA-N 448.946 6.318 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3c(C)cc(C)cc3C)cc2)cc1[N+](=O)[O-] 2331764464 UQYVQSFUMPJNSO-UHFFFAOYSA-N 445.471 5.644 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(Cl)c2)ccc1OC(=O)c1ccncc1 2331834623 KBLCXROXFBLSCG-UHFFFAOYSA-N 437.879 5.258 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@@H](C#N)c1c(Cl)ccc(Cl)c1Cl 2364578271 JVFHODUQLOYTRE-HNNXBMFYSA-N 429.706 6.792 30 10 IKEE CN(Cc1ccc(Br)s1)c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2365107028 RSJUGZZDPOJATD-UHFFFAOYSA-N 435.196 5.187 30 10 IKEE C=CCc1ccccc1OCCN1C(=O)[C@H](C)CN(C(=O)c2ccccc2)c2ccccc21 8809868 OMZSTXVSURPDBN-OAQYLSRUSA-N 440.543 5.124 30 10 IKEE CCOc1cc(/C=N/c2sc(C(=O)OC)c(C)c2C#N)ccc1OCc1ccccc1 16689204 ZKDONXLHKCQEOX-VULFUBBASA-N 434.517 5.443 30 10 IKEE Cc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(Cl)c(Cl)c2)C3)cc1[N+](=O)[O-] 21252430 VINQBKVSMJMSBP-HUUCEWRRSA-N 445.302 5.214 30 10 IKEE CCc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2Cl)cc1 21253939 WVLXGWIRERQJOY-UZTOHYMASA-N 428.963 6.882 30 10 IKEE CCOc1ccc(NC(=S)C2=C(NC3Cc4ccccc4C3)CC(C)(C)CC2=O)cc1 21344859 MYLMZIUWEMUMQH-UHFFFAOYSA-N 434.605 5.225 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccccc2OCCOc2ccccc2Cl)SC1=S 33420079 NNGUSNTXYXBREH-XMHGGMMESA-N 431.966 5.185 30 10 IKEE C/C(=N/OCC(=O)N(Cc1ccccc1Cl)c1ccccc1C(=O)O)c1cccs1 33715912 ZPLYJBGPZKLEPY-IWIPYMOSSA-N 442.924 5.074 30 10 IKEE COc1ccc(/C=C2/Oc3cc(OCc4c(F)cccc4Cl)ccc3C2=O)c(OC)c1 34388273 SZYVKFVRUYQEGK-AUEPDCJTSA-N 440.854 5.692 30 10 IKEE Cc1ccc(COc2cccc(/C=C3\S/C(=N/c4cccc(C)n4)N(C)C3=O)c2)cc1 39863218 XRMBZOPTZRESJY-YEVPVSBLSA-N 429.545 5.511 30 10 IKEE O=C1/C(=C/c2c(Cl)cccc2Cl)S/C(=N/c2nccs2)N1C1CCCCC1 39865100 IFVOFDYECVLOHB-RFTHPBJJSA-N 438.405 6.387 30 10 IKEE Cc1c(/N=N/c2ccc(Cl)c(Cl)c2)c(O)n([C@H](C)c2ccccc2)c(=O)c1C#N 39871370 ICGHXNCURZYNIX-NKYKXMNPSA-N 427.291 6.066 30 10 IKEE C=CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C)c(C)c2)c1 39872788 VIEQVSOGMIFFLR-RUZDIDTESA-N 437.495 5.724 30 10 IKEE CC(C)(C)c1ccc(/C=N/N=C2\NC(=O)[C@H](Cc3ccc(Cl)cc3Cl)S2)cc1 39888229 KPFHBVUEUCHSSO-AMAFCZHPSA-N 434.392 5.455 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 40085400 VFANQHFXXKEQHB-QHCPKHFHSA-N 435.564 5.680 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cccc2ccccc12 40096161 BLKJKLOTPAZZLX-NSYGIPOTSA-N 441.527 5.542 30 10 IKEE CCOc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/Nc1ccc([N+](=O)[O-])cc1)CCC2 40814684 AEHKSXRFFIGIFP-ZXVVBBHZSA-N 448.479 5.300 30 10 IKEE Cc1c(C(=O)Nc2ccncc2)oc2c1/C(=N/Nc1cccc(C(F)(F)F)c1)CCC2 40823992 OAWYEBXUJRZGCS-STBIYBPSSA-N 428.414 5.407 30 10 IKEE Cc1cc(OCc2ccc([N+](=O)[O-])cc2)cc2c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O2 41501685 STTODFGQZZSNTN-NHDPSOOVSA-N 432.388 5.007 30 10 IKEE COC(=O)/C(=N\Nc1ccccc1Cl)Sc1nc2ccccc2n1-c1ccccc1 59121514 UWFZTBUZUDGTOR-LHLOQNFPSA-N 436.924 5.370 30 10 IKEE CC(=O)C1=NN(c2cccc(C)c2)[C@]2(S1)SC(C(C)=O)=C(C)N2Cc1ccccc1 59121839 DOUIWVMYRWELIZ-QHCPKHFHSA-N 437.590 5.132 30 10 IKEE C#CCn1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c2ccccc21 59676409 HRAPAZKRELFGSL-OGLMXYFKSA-N 437.568 6.218 30 10 IKEE CCCCCCCC(=O)Nc1cc(-c2onc3c2CCc2cc(OC)ccc2-3)ccc1C 102993416 JDSIFGBCMOAXIF-UHFFFAOYSA-N 432.564 6.723 30 10 IKEE CCOc1ccc([C@@H](C#N)C(=O)c2cc(Br)c(Br)s2)cc1 128470540 YMRJPBCHWOCQPH-LLVKDONJSA-N 429.133 5.162 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1cccs1 169988417 UWPHYIHDXRHBBL-NRFANRHFSA-N 425.456 5.128 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2cccnc2)cc1 170003389 LXODDXZVHKFHKK-QFIPXVFZSA-N 446.934 5.815 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccccc2)cc1 170052662 DIXAXHAPTXSNBG-QFIPXVFZSA-N 433.891 5.522 30 10 IKEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4c[nH]c5ccccc45)[C@H]3c3ccccc3)nc2c1 170055864 AAJPQZQEKHOWPL-HSZRJFAPSA-N 448.482 5.136 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)ccc1F 170062862 ZCIJKKCMHTWYEJ-OAQYLSRUSA-N 439.845 5.710 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cn(C)c3ccccc23)ccc1F 170084009 FQHQPKYPHYSTKB-DEOSSOPVSA-N 440.474 5.409 30 10 IKEE Cc1cc2nc(N3C(=O)C(O)=C(C(=O)c4cccc(Cl)c4)[C@@H]3c3ccco3)[nH]c2cc1C 170098845 CODZFZZXYWMTKZ-FQEVSTJZSA-N 447.878 5.209 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)CCc2ccccc2)=C(O)C(=O)N1c1ccc(Cl)cc1 170106763 KWYGHKVIUIGWIA-NRFANRHFSA-N 437.948 5.812 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC)c2)[C@H]1c1ccccc1OC(C)C 170150769 OPGCCSFKWOIZJH-HSZRJFAPSA-N 437.536 5.251 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2cccs2)cc1 170157704 HWYZGQCHGWNEAH-HSZRJFAPSA-N 441.508 5.693 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccs2)cc1Cl 170163820 IJFXWTDBAMNHHQ-LJQANCHMSA-N 431.941 5.321 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2cccnc2)cc1C 170187887 RVCYROVLDWNALQ-XMMPIXPASA-N 442.515 5.188 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccnc2)cc1 170194239 VHHYXRKTKHTGJH-QHCPKHFHSA-N 434.536 5.027 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccncc2)ccc1Cl 170202149 RHRVEPVSFWSWNY-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccncc1)c1ccc2ccccc2c1 170204197 OFYKTCPCPLGSLA-QHCPKHFHSA-N 440.886 5.671 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccncc2)c(C)c1 170205417 KOJWRXGYUXVIGQ-XMMPIXPASA-N 442.515 5.269 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccccc1)c1c[nH]c2ccccc12 170222942 WRMBNQBBSCHFNG-QFIPXVFZSA-N 430.410 5.229 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccccc2)c1 170222983 LKAAUWJVAHJOKZ-QFIPXVFZSA-N 435.426 5.146 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cc(C)c(OC)cc3C)=C(O)C(=O)N2C2CCCCC2)cc1 170266763 VUOSODYRSNBRSV-RUZDIDTESA-N 447.575 5.785 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(C)o2)ccc1Cl 170298874 HPLRSFKAAXYSHD-FQEVSTJZSA-N 441.842 5.172 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1Cc1ccccn1 170316593 YAEDIHGNTGCDKL-JOCHJYFZSA-N 440.524 5.383 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2sccc2C)c1 170317575 FDRDRNDOULLYFN-LJQANCHMSA-N 445.968 5.630 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1sccc1C 170318841 JJXYBGAIAJACOC-GOSISDBHSA-N 425.506 5.190 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1)c1ccncc1 170377458 UGPKKKADIMRTGZ-IBGZPJMESA-N 442.368 5.022 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccc(C(C)(C)C)cc1 170472102 HPCFVAWZLWVRJP-HXUWFJFHSA-N 448.588 6.109 30 10 IKEE CCCCCCCC[C@H](C)OC(=O)c1ccccc1C(=O)O[C@@H](C)CCCCCCCC 196395875 CZTAPVBKUXXDLY-ZEQRLZLVSA-N 446.672 8.278 30 10 IKEE N#Cc1ccc(Br)cc1NCc1cc(Br)c(Br)o1 232476557 JWBGWWKAIFIUPB-UHFFFAOYSA-N 434.913 5.051 30 10 IKEE O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1cccc(C#Cc2ccccc2)c1 247732272 IHFWKYBYJJPOJU-UHFFFAOYSA-N 445.931 5.521 30 10 IKEE O=C1/C(=C/c2cccc(Br)c2)SC(=Nc2ccccc2)N1Cc1ccccc1 252594496 BSOCMNASONXDMO-XOLKAKTPSA-N 449.373 6.253 30 10 IKEE CCCCCCCCCCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C 253617974 GRAAWEGTURLYKP-RJLPFZRWSA-N 442.684 7.571 30 10 IKEE CCc1ccc(C(/C=C\c2ccc(F)cc2)=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 254485947 IKZXOSWMKYTPPV-IMNKRVFQSA-N 434.427 5.734 30 10 IKEE C(=NOCc1nc2c3c(-c4ccccc4)c(-c4ccccc4)oc3ncn2n1)c1ccccc1 254713639 MPRFJERJJOVHRU-UHFFFAOYSA-N 445.482 5.755 30 10 IKEE O=C(Oc1ccc(C=NNC(=S)NC2CCCCC2)cc1)c1cccc2ccccc12 263629276 RSNDSNLEJLNTGV-UHFFFAOYSA-N 431.561 5.190 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccc(OCC)c2)c1 526605336 AXBGCVRKDQOCOD-RUZDIDTESA-N 440.499 5.413 30 10 IKEE CCOc1ccc(/C=N\n2c(C)nnc2SCc2ccccc2F)cc1Br 526803326 XTENABFQLGXLLV-JJFYIABZSA-N 449.349 5.061 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1cccc(Cl)c1 526813744 IKLFBRBNQTXCLY-KSEXSDGBSA-N 439.799 6.365 30 10 IKEE CCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1/N=C\c1ccc(C(C)C)cc1 526831051 HCGHLHWYJCFHFD-CFRMEGHHSA-N 440.569 5.297 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)c(F)c1F 689648762 XYSLSPQNQACQDM-YOEHRIQHSA-N 433.337 5.237 30 10 IKEE CCCCCCCCCCCC[C@H](CCN(Cc1ccccc1)C(=O)OC(C)(C)C)NC 692619888 LAVDXTWCNISGHD-AREMUKBSSA-N 446.720 7.713 30 10 IKEE C[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 698884578 LHDCMZSWALUMIS-HJPURHCSSA-N 433.524 5.249 30 10 IKEE Cc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)c(C)c1Br 719634328 ROYGMJFFHYVFHC-GOSISDBHSA-N 449.776 6.726 30 10 IKEE CC(C)c1ccc(C[C@H]2SC(=Nc3ccc(C(=O)O)cc3)N(Cc3ccco3)C2=O)cc1 1772728221 XHRACSRRSIVRHI-JOCHJYFZSA-N 448.544 5.476 30 10 IKEE C=CCN1C(=O)[C@H](CC(=O)c2cc(C)ccc2C)SC1=Nc1cccc2ccccc12 1772759935 GWPWPPYFTJKLHF-DEOSSOPVSA-N 428.557 5.847 30 10 IKEE C=CCN(C(=O)CCCOc1ccc(Cl)cc1Cl)[C@@H]1CCN(Cc2ccccc2)C1 1860031541 XWVKCHSLJRLXGE-OAQYLSRUSA-N 447.406 5.442 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)c1ccc(OCC(C)C)cc1 1861770905 MIRXKIZHGPXVNK-JOCHJYFZSA-N 436.662 5.050 30 10 IKEE CCCCCCCCNC(=O)[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 1861821368 KANNKLMRXLNKNE-OAQYLSRUSA-N 445.947 5.196 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2ccccc2)cc1 1862413870 MQGOLVXUGNMYLU-HSZRJFAPSA-N 433.454 5.306 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCCOC(C)C)cc1 1862429398 MCAYJDDHAJSDJC-NRFANRHFSA-N 427.928 5.042 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1Cl 1862435944 IKBWNBQNHTWKTB-NRFANRHFSA-N 448.862 5.027 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(C)c1 1862442110 GLSBZYYDIWQQAT-HSZRJFAPSA-N 439.983 6.587 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(Cl)c1 1862446052 KGDLKQMGSJULAX-FQEVSTJZSA-N 448.346 5.387 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccccc2F)cc1 1862474905 YITNGRAQOABMTK-IQGLISFBSA-N 443.518 6.036 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862477787 RPHFAQUCARWBLH-CUHUQNRHSA-N 428.532 5.633 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccccc2Br)cc1 1862488447 ZXBYFTIRLDCMKH-HXUWFJFHSA-N 442.353 5.382 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccccc2C)cc1 1862514626 KRCSJVNKULEJDT-NIDLKEISSA-N 447.575 5.941 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2ccccc2C)cc1 1862534540 VMUOWQJANALKNU-AREMUKBSSA-N 439.555 5.769 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2CCC(C)C)cc1 1862539371 WUJMMFRXSXWNSL-VWLOTQADSA-N 449.591 6.052 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2cccc3ccccc23)c1 1862592380 BSTYWPOJZQMVAU-AREMUKBSSA-N 449.506 5.632 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(CC)cc1 1862650283 RTLXKGGPLQLKNZ-VWLOTQADSA-N 443.543 5.407 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2F)cc1 1862673507 LZXDCFLADSTNRH-VOIUYBSRSA-N 447.481 5.867 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1 1862675673 QUYZNVIQRXXUMK-YFZFPPMRSA-N 427.903 5.636 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 1862677000 WFDOLPYNUCXYFN-OYHNWAKOSA-N 446.434 5.073 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccc(Cl)c2)c1 1862701212 YKVGNXFFOQOEKF-FQEVSTJZSA-N 439.920 5.189 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2cccc(O)c2)cc1 1862713145 IDNIOWWTQRWPQQ-SANMLTNESA-N 449.506 5.632 30 10 IKEE CC(C)c1ccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862769092 QHWFLQJYZNZAHZ-UHFFFAOYSA-N 425.463 5.217 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(C3CCCCCCC3)C2=O)cc1C 1863253717 VVTJDCZYOIAPRD-UHFFFAOYSA-N 427.548 5.480 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(CCC3=CCCCC3)C2=O)cc1C 1863254259 STNQVQZSIIKDFP-UHFFFAOYSA-N 425.532 5.258 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(CC)cc2)=C(c2ccccc2Cl)C1=O 1863439265 HNXIUUKANDKFTA-UHFFFAOYSA-N 438.999 6.455 30 10 IKEE CCCCCCCCCCNC1=C(c2cccc3ccccc23)C(=O)N(C2CCCC2)C1=O 1863578405 VIGGOSDTBACKEQ-UHFFFAOYSA-N 446.635 6.593 30 10 IKEE N#Cc1c(NC(=O)/C=C/c2ccc(OCc3ccccc3Cl)cc2)sc2c1CCC2 1865902840 MGOOXBNYUPWWFY-JLHYYAGUSA-N 434.948 5.993 30 10 IKEE C[C@@H]1CN(c2cc(Nc3ccc(C#N)cc3)nc(C(C)(C)C)n2)C[C@H](c2ccc(F)cc2)O1 1868355217 BIQFSQHGSLFBIQ-VGOFRKELSA-N 445.542 5.495 30 10 IKEE C[C@H]1CN(c2cc(Nc3cccc(C#N)c3)nc(-c3ccccc3Cl)n2)C(C)(C)CO1 1868403351 AXFDJMUJBXFWNB-INIZCTEOSA-N 433.943 5.416 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)c2cccc3ccccc23)n(-c2ccc(Cl)cc2)n1 1870002206 FWDSRECTNVCOFC-UHFFFAOYSA-N 443.938 5.505 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)Nc2ccc(OCC)cc2)c(=O)cc1C 1870085330 HOIGJJZDPIQKAZ-UHFFFAOYSA-N 442.600 5.714 30 10 IKEE CCCCCCCCn1cc(OCC(=O)N2CCCCCC2)c(=O)cc1CSCC 1870280891 FEMZXHCPYVIZLX-UHFFFAOYSA-N 436.662 5.243 30 10 IKEE CCCCCCCOc1cn(CC(C)C)c(CN(CCCC)CCCCCC)cc1=O 1870409527 VTCSBABAUKDNJE-UHFFFAOYSA-N 434.709 7.036 30 10 IKEE CCCCCCCOc1cn(C[C@H]2CCCO2)c(CNc2ccc(N(C)C)cc2)cc1=O 1870833427 IGUPBAQMDKDQHD-XMMPIXPASA-N 441.616 5.055 30 10 IKEE CC(C)CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(F)c(F)c1 1871254992 OSOVIMYRPMVDGH-UHFFFAOYSA-N 437.490 5.235 30 10 IKEE O=C1/C(=C/c2ccccc2OC(F)F)Oc2c1ccc1c2CN(Cc2ccccc2)CO1 1871345744 KSKRPUOPVDLBAJ-UUYOSTAYSA-N 435.426 5.256 30 10 IKEE Cc1cc(OC(=O)/C=C/c2ccc(F)cc2)cc2c1C(=O)/C(=C/c1ccc3c(c1)OCO3)O2 1871365626 BHQYRACYKITPLQ-ZISNKBHRSA-N 444.414 5.098 30 10 IKEE Cc1ccc(OCC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871369882 JQLOLKRYJDUEGG-UUYOSTAYSA-N 434.875 5.557 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3C)C2=O)cc1 1871375018 ONAKDOBVIMKHSL-UUYOSTAYSA-N 429.428 5.355 30 10 IKEE CCCOc1ccccc1/C=C/C(=O)Oc1ccc2c(c1C)O/C(=C\c1ccncc1)C2=O 1871376088 SDIUPEIFDIIDOL-XLIXHTINSA-N 441.483 5.414 30 10 IKEE CCCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871378555 SGLXUPNHYHMCPT-MZSDYGCPSA-N 430.456 5.612 30 10 IKEE Cc1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccccc2F)C3=O)c1C 1871413664 MPLLOJYOBRWZPT-YNJLWJOVSA-N 445.490 5.773 30 10 IKEE Cc1c(OCC(=O)Nc2ccc3ccccc3c2)ccc2c1O/C(=C\c1cccs1)C2=O 1871420198 ZKWWCLOEQATFSF-UCQKPKSFSA-N 441.508 5.843 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OCCc4ccc(OC)cc4)ccc3C2=O)cc1 1871448302 OINCMZVVRBYQSO-IMRQLAEWSA-N 443.543 5.779 30 10 IKEE CC(C)c1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O 1871456200 RMYCCPIGKVPZTH-CFRMEGHHSA-N 447.918 6.097 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1cccs1 1871801332 ICZCCTPWVQKROI-GOSISDBHSA-N 441.018 5.084 30 10 IKEE CCCCCCCCCCNC(=O)c1nonc1OCCCOc1ccc(Cl)cc1 1872706037 FAPCISAHWOPNKM-UHFFFAOYSA-N 437.968 5.441 30 10 IKEE CCc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1 1872761440 NHYRWCPTBGFKFW-ZPMCFJSWSA-N 443.572 5.158 30 10 IKEE COc1cccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(C)cc3C(C)(C)C)n2)c1 1872761970 AEQHGOWRUYUFJZ-IBGZPJMESA-N 434.561 5.680 30 10 IKEE CC(C)c1ccc(O[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(F)cc3F)cs2)cc1 1872766015 BBHATGBMRFWFHU-AUUYWEPGSA-N 426.488 5.855 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@H](C#N)C(=O)Cc3ccc(F)c(C)c3)n2)c1 1872780158 BMHJWXSCQOGJQW-LJQANCHMSA-N 438.524 5.474 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)c3c(Cl)ccc(Cl)c3Cl)n2)cc1C 1872783116 RRPGAQMPOPPGRM-CYBMUJFWSA-N 435.763 6.877 30 10 IKEE CCc1ccc(/C=N/n2c(CCCOc3ccc(C(C)(C)C)cc3)nnc2SC)cc1 1874195312 IJBMFDWUJMCSOW-NLRVBDNBSA-N 436.625 5.754 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccc(C(C)C)cc1 1874231028 OPQQOTONCKGKRX-AFUMVMLFSA-N 441.000 6.103 30 10 IKEE Cc1ccc(OCCCc2nnc(SCc3cccc(C)c3)n2/N=C/c2ccco2)cc1 1874251698 PXONHPJNOKWGEF-YZSQISJMSA-N 446.576 5.674 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2/N=C/c2ccc(C(=O)OC)cc2)CC1 1874287820 ZANZKCCLOLSFHK-KOEQRZSOSA-N 442.629 5.913 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3Cl)n2/N=C/c2cccnc2)cc1 1874349480 NOKLROAYUAQRRR-CVKSISIWSA-N 449.967 5.100 30 10 IKEE COc1ccc(Cc2nnc(SCc3cccc(C)c3)n2/N=C/c2cccs2)cc1 1874350684 YTUMWCXKMUDJJR-BUVRLJJBSA-N 434.590 5.422 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2/N=C/c2ccccn2)cc1C 1874360389 DQOQFMMCMIAOKZ-JFLMPSFJSA-N 447.995 5.709 30 10 IKEE CCc1ccc(/C=N/n2c(CCc3cccs3)nnc2SCc2ccc(C)cc2)cc1 1874368989 FAIAUOOEKOIKFE-YZSQISJMSA-N 446.645 6.170 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCCc2ccccc2)n1/N=C/c1ccccc1F 1874400596 VBMQVVPHIPGPMH-RTMGKINMSA-N 430.552 5.786 30 10 IKEE COc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCc2cccc(C)c2)cc1 1874410456 UUSLRUSDAVLNMW-BUVRLJJBSA-N 434.590 5.422 30 10 IKEE CCOc1cc(/C=N/n2c(CC(C)(C)C)nnc2SCc2cccc(F)c2)ccc1O 1874437639 LSJYIVSINBWVSQ-AFUMVMLFSA-N 442.560 5.285 30 10 IKEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1c(F)cccc1Cl 1874477234 QLKKQLQUGUETFE-FSJBWODESA-N 447.923 5.496 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc(O)cc1 1874485640 GMXWTENREQBAMQ-FOKLQQMPSA-N 435.380 5.763 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C)n2/N=C/c2cccc(OCc3ccccc3)c2)c1 1874531583 QNLDNELRYYZGJN-JVWAILMASA-N 442.588 5.957 30 10 IKEE CCOc1ccc(/C=N/n2cnnc2SCc2cccc3ccccc23)cc1OCC 1874539637 OYMOLGOZXIOUMT-CVKSISIWSA-N 432.549 5.403 30 10 IKEE CCOc1cc(/C=N/n2c(S)nnc2C2CCCC2)ccc1OCc1ccccc1C 1874559925 XPSQJRCVRAYURQ-MFKUBSTISA-N 436.581 5.393 30 10 IKEE O=C(COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(F)cc1F)NCc1ccco1 1874576921 NIODTWJYLWVUKB-ZHACJKMWSA-N 447.437 5.302 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)cc1 1874580134 ZBTSPTSIGPSBOS-CXUHLZMHSA-N 433.479 5.528 30 10 IKEE O=C(COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(F)cc1)Nc1ccc(F)cc1 1874584011 RGUMAIMLZPLWID-CCEZHUSRSA-N 443.449 6.032 30 10 IKEE C=C(C)COc1c(/C=C/C(=O)c2cc(Cl)c(OC)cc2OC)cc(Cl)cc1OC 1874588341 HZFGZWPQUZZYOM-VOTSOKGWSA-N 437.319 5.870 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccccc1OCC(=O)Nc1ccccc1 1874590165 VYFDLNOQNCISSI-BMRADRMJSA-N 427.544 6.206 30 10 IKEE CCN(CC)C(=O)COc1c(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cccc1OC 1874590318 FGZCLDAOWZCKLI-JQIJEIRASA-N 437.580 5.444 30 10 IKEE COC(=O)c1ccc(COc2ccccc2/C=C/C(=O)c2cc(Cl)ccc2Cl)o1 1874591635 VDVNIHXVGIFFQB-UXBLZVDNSA-N 431.271 5.848 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OCC(=O)Nc1cccc(C)c1 1874599147 XFISNXGDQURDNR-FMIVXFBMSA-N 429.516 5.534 30 10 IKEE CCc1ccccc1NC(=O)COc1cccc(/C=C/C(=O)c2cc(Cl)ccc2OC)c1 1874601034 PJGXLLREDYMLOZ-ACCUITESSA-N 449.934 5.825 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OCc1ccc(C)cc1 1874601437 LAIVSTPFPFKKLM-CPNJWEJPSA-N 448.562 7.536 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OCc1ccccc1F 1874617800 UMFBJYXOWPORCQ-WYMLVPIESA-N 430.519 6.655 30 10 IKEE CCCOc1c(Br)cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OCC 1874624013 HHXQOJHGZXWVDU-KPKJPENVSA-N 431.370 6.656 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)cc(Cl)c1OCCO 1874628518 HYKRSXPLZLZIDM-SNAWJCMRSA-N 445.726 5.321 30 10 IKEE O=C(Oc1cccc(/C=C/C(=O)c2ccc(F)cc2F)c1)c1ccc2cc(Cl)ccc2n1 1874699927 TXLYZLQHYZFJBX-NYYWCZLTSA-N 449.840 6.282 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cccc(OC(=O)CC34CC5CC(CC(C5)C3)C4)c2)c1 1874703467 QYQFVVVWLYBMMN-CMDGGOBGSA-N 428.572 6.711 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3cnc(C)cn3)c2)cc1C(C)C 1874710806 JXCISQSGQXKTQW-MDZDMXLPSA-N 430.504 5.341 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1OC(=O)c1ccncc1 1874717908 ONQWSXXMUYUNAD-QHHAFSJGSA-N 428.271 5.512 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)c1 1875102424 GYYYDTMOGCALFL-KPKJPENVSA-N 427.283 6.117 30 10 IKEE C[C@@H](C(=O)Oc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl)c1ccccc1 1875116753 QQLGVTDRNADUQO-ROCHPLJESA-N 435.863 5.853 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2-c2ccccc2)cc1)c1cccc(Cl)c1 1875123121 BKJUXPDHYBBCPF-OBGWFSINSA-N 438.910 7.122 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2[N+](=O)[O-])cc1 1875126887 GHOZTQUDEPLLOY-NTCAYCPXSA-N 429.472 5.592 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Br)c1OC(=O)C(C)C 1875139860 DUEFYUSDLURGGF-MDZDMXLPSA-N 445.353 5.922 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2OCC)c1 1875140299 ZHDAWBFNPADMFS-WYMLVPIESA-N 444.527 6.216 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC(=O)C(F)(F)F 1875149036 VKTVEAFJRRPYDM-IZZDOVSWSA-N 436.426 5.365 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(Cl)c1OC(=O)[C@@H]1CCCO1 1875153549 MGPKMMKRBWWIPU-LEQVUBRHSA-N 436.891 5.482 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc(OC)c1OC(=O)CCCC 1875153668 SBTPOQSDVJVRGJ-ZRDIBKRKSA-N 426.484 5.563 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Br)c1OC(=O)C(C)(C)C 1875158831 PASVNAGFSZCOAS-IZZDOVSWSA-N 449.316 5.835 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3OC)cc2)cc1C 1875187236 VBZDVXWXLHEQQL-SDNWHVSQSA-N 430.500 5.365 30 10 IKEE N#C[C@@]1([C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C[C@H]2CC[C@H]1C2 1875689813 MKMYEDQDNCTYRY-RQJMDQOWSA-N 439.555 6.208 30 10 IKEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)n[nH]2)c1C 1891654856 PNSFLNCKWBCIIL-UHFFFAOYSA-N 427.508 5.511 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCCC)c2cc(F)ccc2Br)C1 1898379954 MCKWZLNGTHMYKN-KRWDZBQOSA-N 427.358 5.242 30 10 IKEE C=C(COCc1ccccc1)[C@H](NC)[C@@H](CNC(=O)OC(C)(C)C)CC1CCCCC1 1922087217 XBOPFYFDDJSSON-RPWUZVMVSA-N 430.633 5.459 30 10 IKEE Cc1cc(Br)c(F)c([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)c1 1927529268 VYKYECQGFHGDBW-KRWDZBQOSA-N 437.284 6.042 30 10 IKEE CC[C@](C#N)([C@@H](C)NC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)c1ccccc1OC 1944150539 OOCMGGUHIXDGAL-MWTRTKDXSA-N 433.549 5.022 30 10 IKEE C#Cc1cccc([C@H](CCCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 1951530105 DIEQDCGJLGNGAD-SANMLTNESA-N 439.511 5.503 30 10 IKEE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(C#N)(CC)CC 1985181491 WSNZKRFJZVBWEW-MHECFPHRSA-N 447.579 5.138 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 2022132641 DASMTYNXPPYSEU-YADARESESA-N 429.561 5.276 30 10 IKEE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@@H](C#N)c1c(Cl)cccc1Br 2033938341 QOEMRNFRHJGFKJ-WFASDCNBSA-N 429.742 5.083 30 10 IKEE C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2037942450 NZQNQNGPEMZKKO-VXKWHMMOSA-N 439.644 5.997 30 10 IKEE CCCn1c(=O)c(C(=O)C=Cc2ccccc2)c(-c2ccccc2)c2cc(Cl)ccc21 2041623932 LXGVUNIFUCHRLA-UHFFFAOYSA-N 427.931 6.628 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@]12CCCC[C@@H]1N(C(=O)OC(C)(C)C)CCC2 2046612920 XDISHNLUXLGFPG-NLJOTIRTSA-N 442.644 5.697 30 10 IKEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Cl)cc1Br 2077804733 DCDNRLGWDHKHFP-DLBZAZTESA-N 429.786 5.060 30 10 IKEE CCc1ccc([C@H](n2nc(C3CC3)c(C#N)c2I)C2(C)CC2)cc1 2079070481 IACBJVHPIHBSJA-SFHVURJKSA-N 431.321 5.189 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)C[C@H]2C[C@H]1CC2(F)F 2101410716 INPNRIQRCAYSLS-VEVIJQCQSA-N 427.289 5.518 30 10 IKEE CC(C)[C@@H](C)[C@H](CNc1cc(Br)cc(F)c1C#N)NC(=O)OC(C)(C)C 2107438032 GPEIBVOYAWOOQT-PXAZEXFGSA-N 428.346 5.057 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1cccc(F)c1Cl 2119569895 XEDKNLGJNZIMCY-INIZCTEOSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)NCCCc1ccccc1Nc1cc(Br)cc(C#N)c1 2207176061 QDXRCOLZGWKWPW-UHFFFAOYSA-N 430.346 5.522 30 10 IKEE CN[C@H](C#CP(C)(C)=O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2213345060 PFFQMICVSAIAHN-XMMPIXPASA-N 433.488 5.689 30 10 IKEE CC1(C)OB(c2ccc(Nc3c(Cl)cc(Cl)cc3Br)nc2)OC1(C)C 2232301706 JUBFOEATAWPQIE-UHFFFAOYSA-N 443.965 5.194 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCCC)c2cc(C)c(Br)c(C)c2)C1 2235608268 IWARIFROPXYHOD-IBGZPJMESA-N 437.422 5.720 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)C(C)(C)C(C)(C)NC(=O)OC(C)(C)C 2235730710 WDOSBJHDCQPNMW-GOSISDBHSA-N 437.422 5.108 30 10 IKEE Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)Nc1ccc(Br)c(C#N)c1 2237322378 ADVGFDWDUCQSIH-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE C=CCCCC[C@H](NCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237430551 FKQMRSBKQZYAHU-VQTJNVASSA-N 439.438 5.609 30 10 IKEE CCCN(CCC#N)C(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2243925259 SMPPIRXYDDGTBS-VWLOTQADSA-N 447.579 5.092 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1cc(Br)c(F)cc1Cl 2258088673 VNZJIOXOIAPCGA-HXUWFJFHSA-N 426.757 6.055 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(OC)c(Br)s1 2263739682 POKSANRXDSLYJL-DOMZBBRYSA-N 433.412 5.029 30 10 IKEE N[C@H](C#CC1CCCC1)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2274001650 OZSAVNXGEBXLPX-UHSQPCAPSA-N 441.571 5.399 30 10 IKEE C=CCCC1([C@H](NC)c2cc(C)cc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2281050784 NOBCNRGJHIGRJO-GOSISDBHSA-N 441.385 5.360 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(OCCCOc3ccc(Cl)cc3)cc2)SC1=S 2293140484 IMLFGUSTQOTZKB-UHFFFAOYSA-N 445.993 5.575 30 10 IKEE Cc1cccc(N=C2SC(=C3Sc4ccccc4N3C)C(=O)N2c2ccc(F)cc2)c1 2295195980 FSSNWONTRIYKEH-UHFFFAOYSA-N 447.560 6.313 30 10 IKEE CCc1ccc(NC(=O)OC(C)(C)C)c([C@H](O)C#Cc2cccc(Br)c2)c1 2296221596 KBRXVNZDLQFLQV-HXUWFJFHSA-N 430.342 5.444 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(F)c([C@@H](O)C#Cc2cccc(Br)c2)c1F 2296230209 RAENZXIIWVEVJW-INIZCTEOSA-N 438.268 5.159 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@H](C)CCCNC(=O)OC(C)(C)C 2296265901 CITPHPAHLKLDGV-YLJYHZDGSA-N 437.422 5.110 30 10 IKEE C=CCN1C(=O)C(=Cc2cccc(OCCCOc3ccc(CC)cc3)c2)SC1=S 2297624787 OADMRVSPHUKTMU-UHFFFAOYSA-N 439.602 5.484 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)cc1 2299174622 SLIVHNVJPJGZQL-OALUTQOASA-N 429.561 5.274 30 10 IKEE C=CC[C@](C)(CC)C(=O)c1sc(Br)c(Br)c1Br 2304043890 OURNWPGPUDVENR-LBPRGKRZSA-N 445.014 6.211 30 10 IKEE O=C(C=Cc1ccccc1F)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 2314429718 NDDMEDSZBLIRFT-UHFFFAOYSA-N 425.253 5.704 30 10 IKEE O=C(C=Cc1ccc(-c2ccccc2Cl)o1)c1cccc(NC(=O)c2ccccc2)c1 2314457056 VXONITCMXJEVPS-UHFFFAOYSA-N 427.887 6.748 30 10 IKEE C=CCOc1ccccc1C=Nn1c(C)nnc1SCc1ccc(Cl)c(Cl)c1 2321185588 PZXVXGULWUFUJW-UHFFFAOYSA-N 433.364 5.633 30 10 IKEE O=C1C(=Cc2cccc(F)c2)Oc2c1ccc1c2CN(CCc2ccc(Cl)cc2)CO1 2321928147 NVYQRDXUFAPSGJ-UHFFFAOYSA-N 435.882 5.490 30 10 IKEE Fc1ccc(COc2cccc(C=Nn3c(S)nnc3CCc3cccs3)c2)cc1 2321988242 MBVBIPRRYMFWNR-UHFFFAOYSA-N 438.553 5.014 30 10 IKEE CCCCC[C@@H](CC)N1COc2cc(C)c3c(c2C1)OC(=Cc1sccc1C)C3=O 2322075984 BDZSAAUITLFQCI-GOSISDBHSA-N 425.594 6.492 30 10 IKEE Cc1cccc(C)c1OCc1nnc(S)n1N=Cc1cccc(Oc2ccccc2)c1 2322092486 WEXCTWWOBXZGDQ-UHFFFAOYSA-N 430.533 5.437 30 10 IKEE C[C@@H]1CCCC[C@H]1N1COc2ccc3c(c2C1)OC(=Cc1c(F)cccc1Cl)C3=O 2322146048 RFHOCYFKQFJPEM-JLTOFOAXSA-N 427.903 5.826 30 10 IKEE CC(=O)c1c(C)oc(NC(=O)C(=Cc2ccc(OC(C)C)cc2)c2ccccc2)c1C#N 2322328756 XXBLHFRGOOBZQH-UHFFFAOYSA-N 428.488 5.629 30 10 IKEE COc1ccccc1C(=O)C=Cc1cccc(OC)c1OCc1c(F)cccc1Cl 2322485585 LIXDAMOHEOWSGL-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C)cc2C)c1OCC(=O)Nc1ccc(C)cc1 2322579894 SJVLTUWZWONXES-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE CCCCCOc1ccc(C=NNc2cnn(-c3cccc(Cl)c3)c(=O)c2Cl)cc1 2322607280 HYPCIZHZBPAORL-UHFFFAOYSA-N 445.350 5.554 30 10 IKEE Cc1ccccc1COc1ccc2ccccc2c1C=CC(=O)c1ccc2c(c1)OCCO2 2322668144 SDOVHFJTNPAPPS-UHFFFAOYSA-N 436.507 6.395 30 10 IKEE Cc1c(OC(=O)c2ccccc2Cl)ccc2c1OC(=Cc1ccc3c(c1)OCO3)C2=O 2322724779 JEHRVOZZSQMGPH-UHFFFAOYSA-N 434.831 5.213 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1F 2323202109 DXLNIWXYYKIOHW-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OCC(=O)Nc3cccc(C)c3C)c2)cc1C 2323323459 CHRHVKCHSDUUKC-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OCc1cccc2ccccc12 2323437633 DNVOBNZFJSKGMT-UHFFFAOYSA-N 448.562 7.202 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)cc1 2323557483 QNBXPHPGJYJZMT-UHFFFAOYSA-N 443.543 5.951 30 10 IKEE COc1ccccc1C=C1Oc2cc(OC(=O)c3cc(Cl)ccc3Cl)ccc2C1=O 2323581144 ZSASVKOBIVHJFI-UHFFFAOYSA-N 441.266 5.837 30 10 IKEE O=C(C=Cc1ccc(OCc2c(F)cccc2Cl)cc1)c1cccc(Br)c1 2323651958 YYDLIRRDKDPASS-UHFFFAOYSA-N 445.715 6.717 30 10 IKEE CCCOc1c(OCC)cc(C=NNc2nc(-c3ccccc3)cs2)cc1[N+](=O)[O-] 2323870658 OMGLOZSRDGRDAP-UHFFFAOYSA-N 426.498 5.352 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCCc3ccccc3)c([N+](=O)[O-])c2)cc1 2323933636 ZKEYINXNTOUFQG-UHFFFAOYSA-N 431.488 5.901 30 10 IKEE CC1(C)C[C@H]2C[C@@](C)(CN2Cc2c(O)ccc3c2OC(=CC=Cc2ccccc2)C3=O)C1 2324097477 BUBHXSBMIZKGCX-WTYVLRPYSA-N 429.560 5.965 30 10 IKEE Cc1ccc(COc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2Br)cc1 2324162708 PLMJAJYHMPSGLD-UHFFFAOYSA-N 449.388 7.356 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OCc1ccc(C)cc1 2324169657 VIBRIDUIWZCHCW-UHFFFAOYSA-N 448.990 7.646 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2Cl)Oc2cc(OCCCOc3ccccc3)ccc21 2324234347 LPUHQPBDFOPQAZ-UHFFFAOYSA-N 441.310 6.458 30 10 IKEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)C(=Cc3ccccc3)c3ccccc3)n2)c(C)c1 2324522066 LGIQLVXWIGKLIQ-VWLOTQADSA-N 434.564 6.844 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1C 2324630791 BDOBVHJUKHMJPK-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(OCC(=O)Nc3c(F)cccc3F)c2C)C1=O 2325512766 QBBQHJKCSQYMFQ-UHFFFAOYSA-N 441.455 5.277 30 10 IKEE COc1cc(C=Nn2cnnc2SCc2ccc(F)cc2)ccc1OCc1ccccc1 2325649073 XYROXIHJHKRJIJ-UHFFFAOYSA-N 448.523 5.179 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3cc(OC)ccc3OC)c2)cc1 2325705486 OPTWMSYNPAESQW-UHFFFAOYSA-N 430.500 5.310 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1OC(=O)c1cncc(C)c1 2325708534 CHJSEWPSSBTMMY-UHFFFAOYSA-N 442.298 5.821 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C)cc4)cc(C)c3C2=O)cc1 2325715951 NJMCJZDNVFTQJD-UHFFFAOYSA-N 443.499 5.336 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OCC(=O)Nc3ccccc3C(C)C)cc(C)c2C1=O 2325726686 PIVVQHIOUBCPQW-UHFFFAOYSA-N 447.556 6.122 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccc(C)c(C)c4)c3C)C2=O)cc1 2325738591 RMJSKOXDJNLPMX-UHFFFAOYSA-N 443.499 5.254 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1C 2325738620 BMMXBLAOTBNENH-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)[C@@H](C)c3ccccc3)c2)c(OC)c1 2325760935 COWWLBZDASXZJD-SFHVURJKSA-N 446.499 5.318 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OC(=O)Cc1ccc(F)c(C)c1 2325764148 KUKKSMPVXWMSSC-UHFFFAOYSA-N 446.518 6.112 30 10 IKEE CCSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1cccc(OC)c1 2325911916 CBHOMVGWQKROLJ-UHFFFAOYSA-N 437.352 5.167 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3F)n2N=Cc2ccccc2)cc1C 2329423960 MPOATXXXXLHGTR-UHFFFAOYSA-N 430.552 5.799 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2ccccc2)n1N=Cc1ccccc1F 2330172909 DMUMMRQBRKDSBV-UHFFFAOYSA-N 430.552 5.685 30 10 IKEE Clc1ccc(C=Nn2c(SCc3ccccc3)nnc2-c2cccs2)c(Cl)c1 2330583448 ZRIBKYLTQKTQBY-UHFFFAOYSA-N 445.400 6.488 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1 2330825732 WDQGAOOWGZMAET-UHFFFAOYSA-N 442.599 7.047 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cccs3)c([N+](=O)[O-])c2)cc1C 2330865825 SFOUTAIQSQDEOR-UHFFFAOYSA-N 437.473 5.018 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(SCc3ccccc3F)nnc2[C@H]2CCCO2)cc1 2330961188 AWRUWWIWGGRDLH-OAQYLSRUSA-N 438.572 5.741 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3ccccc3Cl)nnc2[C@@H]2CCCO2)c1 2330967838 CQAFWYWJTIRQIR-FQEVSTJZSA-N 442.972 5.356 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)c2ccccc2Cl)c([N+](=O)[O-])c1 2331066261 TVTHHKFMUUPJGU-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)c1ccccc1F 2331115796 GCEKSHYGXJOURB-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc3cc(Cl)ccc3n2)cc1)c1cccc(Cl)c1 2331117758 GWKLBNFYWGHKSE-UHFFFAOYSA-N 448.305 6.657 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)COc1ccccc1 2331318717 UGYCBABPEHUZOI-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC(=O)Cc1cccs1 2331370319 YEXVVUZEHZDYRL-UHFFFAOYSA-N 436.529 5.508 30 10 IKEE Cc1ccccc1CSc1nnc(CC(C)C)n1N=Cc1ccc(C(F)(F)F)cc1 2331431537 UDOMZQFPDCAUJE-UHFFFAOYSA-N 432.515 5.978 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1Cl 2331472658 LGNFLUXPENIZLM-UHFFFAOYSA-N 442.898 6.617 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc(C)cc(C)c3)cc2)c(OCC)c1 2331733838 SUNDJYHKEFIEDY-UHFFFAOYSA-N 444.527 6.216 30 10 IKEE CCCC(=O)Oc1c(OCC)cc(C=CC(=O)c2ccc(OC)c(Cl)c2)cc1[N+](=O)[O-] 2331833866 JKUNHAOLDWCXOJ-UHFFFAOYSA-N 447.871 5.257 30 10 IKEE CC[C@@H](CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2333319588 UVFOCYGYACXLAY-YNGDVNFKSA-N 426.685 7.412 30 10 IKEE CC[C@@H]1CCC[C@@](C#N)(Cc2ccc(I)c(Br)c2)C1 2349878163 NMKAHEZERYEPPL-WBMJQRKESA-N 432.143 5.706 30 10 IKEE CCOc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)cn1 2363098791 ZKXIRIFMQJQAQN-QGZVFWFLSA-N 432.318 5.249 30 10 IKEE Cc1cc(Oc2cc(NC(=O)OC(C)(C)C)c(C)cc2Br)c(C#N)cc1N 2370355156 POTOWRRWEWRLLF-UHFFFAOYSA-N 432.318 5.659 30 10 IKEE O=C(c1cccs1)N1CCC[C@H]1/C(O)=N/c1cccc(-c2nc3ccccc3s2)c1 9712700 GQGNFDOUSHBRET-SFHVURJKSA-N 433.558 5.918 30 10 IKEE Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)c3cccc4ccccc34)cc(C)c2c1 12240977 HCXPYKVGKGYDNK-UHFFFAOYSA-N 431.499 5.623 30 10 IKEE Oc1ccc(Cc2ccc(O)c(/C=N/Nc3ccccc3)c2)cc1/C=N/Nc1ccccc1 20073939 FUXNZWHCDWZFCH-UOSOPFLXSA-N 436.515 5.581 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OCC(C)C)cc2)C3)cc1 21245008 DTANZLLEGABZBO-URXFXBBRSA-N 447.575 5.515 30 10 IKEE CC(C)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc1 21245694 CDYNFAGUWGHIAT-WTYVLRPYSA-N 442.990 7.443 30 10 IKEE COc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(Cl)c(Cl)c2)C3)cc1OC 21256097 PSBOCZWFAJWDQU-GJZGRUSLSA-N 446.330 5.015 30 10 IKEE CCn1nc(C)c(CN/C(=N/C(=O)c2ccccc2Cl)Nc2cccc(C)c2C)c1C 32972157 XQWBVNWUFOBROC-UHFFFAOYSA-N 437.975 5.188 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O)c1ccccc1 33361157 UROPTGMASRRPCB-JJFYIABZSA-N 425.267 5.871 30 10 IKEE O=C1N/C(=N\N=C\c2ccccc2)S/C1=C/c1ccc(-c2c(Cl)cccc2Cl)o1 33568523 QDGWGRLMLCFNSK-JGYDOUFFSA-N 442.327 5.847 30 10 IKEE O=C(/C=C/c1c(Cl)cccc1Cl)c1ccc(OC(=O)c2ccc3c(c2)OCO3)cc1 34954979 LOVJUIRHYKVAJI-MDZDMXLPSA-N 441.266 5.837 30 10 IKEE C=CCN1C(=O)/C(=C(\C)c2ccc(Br)cc2)S/C1=N/c1nc(C)cs1 39865453 PRPPYPQVETYNID-RFFCCAMGSA-N 434.384 5.394 30 10 IKEE Cc1cc(Cl)ccc1NC(=O)c1oc2c(c1C)/C(=N/Nc1ccc(F)cc1)CCC2 40823834 UABSMYVUQBKZIJ-TURZUDJPSA-N 425.891 6.094 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc5c(c4)OCO5)cc(C)c3C2=O)cc1 41291530 HAJHEVFEOIZPJR-KSEXSDGBSA-N 428.440 5.122 30 10 IKEE CC(=O)/C(=N\Nc1cccc(C)c1)Sc1ncc(-c2ccccc2)n1-c1ccccc1 59121439 HQYBYQDOIFLEHF-ZZIIXHQDSA-N 426.545 5.954 30 10 IKEE CCCCCCCOc1ccc(NC(=O)COc2ccc(Br)cc2C)cc1 100155333 BEOKQIFURODMMZ-UHFFFAOYSA-N 434.374 6.124 30 10 IKEE CCN1/C(=C2\S/C(=N/C3CCCCC3)N(c3ccc(C)cc3)C2=O)Sc2ccccc21 100202060 SYXXEDPXRNHKLT-UXKFRGQBSA-N 449.645 6.565 30 10 IKEE CN1C(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)S/C1=N/c1ccccn1 101123851 CINWCPFYPPYXLA-URWIEHKQSA-N 435.936 5.548 30 10 IKEE CCCCCCCN1C(=O)N=C(O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C1=O 103127329 MGOYZVKDBVPYIH-QJOMJCCJSA-N 443.547 5.962 30 10 IKEE C=CCn1c(C(=O)N2CCN(c3ccccc3OC)CC2)c(C)c2cc(C(C)C)ccc21 169863352 GOXLHYVSUANRNE-UHFFFAOYSA-N 431.580 5.230 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(Oc3ccccc3C)cc2)NC(=S)N1C 169934764 WFJCDRHDLSKMFW-DEOSSOPVSA-N 428.557 5.805 30 10 IKEE CCOc1c(Cl)cc([C@H]2NC(=S)N(C)C(C)=C2C(=O)c2ccccc2)cc1Cl 169934960 YIGPMUDBPXFVHE-GOSISDBHSA-N 435.376 5.410 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2ccc(O)cc2)cc1 169964044 ORQVJVVQJXULMZ-JOCHJYFZSA-N 435.426 5.016 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc3c(c2)OCO3)c1 169968023 KUQGWPGJWNYLBM-QFIPXVFZSA-N 447.874 5.160 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2cccc(C)c2)cc1 169968817 CKFUYOYMWULREW-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccc(OC(C)C)c2)cc1 169979786 KWVDCKJAULTFRQ-DEOSSOPVSA-N 443.499 5.265 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccco2)cc1 170067098 UYHUBJWGFZICHI-JOCHJYFZSA-N 435.907 5.835 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)C)cc2)ccc1F 170067121 BMUFIJDINNSEJO-HSZRJFAPSA-N 433.479 5.629 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccccc2C)cc1 170087082 UXJIMTHLIGWGLF-VWLOTQADSA-N 440.543 5.406 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccco2)cc1 170090584 HTGXSLWBEOOYOQ-HSZRJFAPSA-N 440.499 5.841 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccco2)cc1 170090830 MPYYORHMMZSMSZ-OAQYLSRUSA-N 435.907 6.013 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccc(C)c2)cc1C 170141886 BWILYEHHNLLZSV-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)c1 170238492 BIXBWRQTGIVYMC-HSZRJFAPSA-N 449.453 5.535 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1ccc(F)cc1)c1cccc2ccccc12 170239232 UKKGPHWUSSIWIU-DEOSSOPVSA-N 439.442 5.467 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)cc(Cl)c2OC)[C@H]1c1ccco1 170294808 RTEUYPBHWZZELT-QGZVFWFLSA-N 438.307 5.364 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccc(C)o2)cc1C 170300476 KVMDHZIKMFCISB-HSZRJFAPSA-N 431.488 5.386 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(C)o2)cc1C(C)(C)C 170302680 XFFIRBWFAXQULX-QHCPKHFHSA-N 445.515 5.677 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(C)o2)c1 170308273 WTMGPPPSTPXHNW-FQEVSTJZSA-N 429.900 5.161 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)cc1 170391571 SRBQBDXWFIDXDV-FQEVSTJZSA-N 425.843 5.417 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1 170421492 SDEVJXWPBRKLOO-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1)c1cccs1 170421940 NGTZQCSIQXQMPF-HXUWFJFHSA-N 441.911 5.362 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 170467373 KPODCDHREFVWEO-QHCPKHFHSA-N 447.619 6.797 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 170470884 IGVJLJXTCHNWCT-DEOSSOPVSA-N 435.564 5.504 30 10 IKEE CCCOc1ccc(C=NN2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1OC 254291395 KWBBPTVVWSVTPF-UHFFFAOYSA-N 441.575 5.206 30 10 IKEE COc1ccc(NC(=O)c2c(N=Cc3ccc(N(C)C)cc3)sc3c2CCC3)c(OC)c1 254853127 CRXDTZOKMNTLSJ-UHFFFAOYSA-N 449.576 5.323 30 10 IKEE C[C@@H](Nc1ccc(C#N)c(Br)c1)c1ccc(I)cc1 312035495 ZNMMSANPPOXFFT-SNVBAGLBSA-N 427.083 5.098 30 10 IKEE Cn1cc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2C#N)c2ccccc21 526606181 IDPRLBVULHQQOU-DEOSSOPVSA-N 439.902 5.761 30 10 IKEE Clc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2cccs2)cc1 526809101 XPZKRLLRTUAIMO-IWIPYMOSSA-N 439.009 5.953 30 10 IKEE CCOc1ccc(/C=N\n2c(C)nnc2SCc2cccc(Cl)c2)cc1OCC 526812174 HURCNHIOWXGNPQ-QRVIBDJDSA-N 430.961 5.212 30 10 IKEE C[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)CCN1C(=O)OC(C)(C)C 698881194 HQBVWQZWGOADPS-HOYKHHGWSA-N 435.609 5.628 30 10 IKEE C=CCN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@H](Cc1ccccc1)C(=O)O 725241135 YXCOMOPHVALDPN-RUZDIDTESA-N 427.500 5.119 30 10 IKEE Cc1cc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc3c(c2)CCCC3)c(C)n1C 917612271 NERMIGKXMUICMJ-UHFFFAOYSA-O 443.596 5.003 30 10 IKEE Cc1ccc(C2=CCC(C)(C)c3cc(C(/C=C\c4ccc(C(=O)O)cc4)=NO)ccc32)cc1 1082540868 AUKGBKLQWDXBEP-ZOZHPIQYSA-N 437.539 6.698 30 10 IKEE Oc1ccc(Cl)cc1C=NNc1nc(SCc2ccc(Cl)c(Cl)c2)n[nH]1 1084210039 PGJWUMZZJYEMTI-UHFFFAOYSA-N 428.732 5.209 30 10 IKEE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1cccc2ccccc12 1772727224 DNQJLWYYAYBTHZ-OAQYLSRUSA-N 433.508 5.125 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=Nc1cccnc1 1772731220 KCHUZBYDWFQPIY-NEAWXCLQSA-N 449.963 5.938 30 10 IKEE Cn1cc(/C=C2/SC(=Nc3cccnc3Cl)N(c3ccccc3)C2=O)c2ccccc21 1772731903 BHNLZWSXXPIZOG-RWYGKYMDSA-N 444.947 6.035 30 10 IKEE N#Cc1cccc(Cn2c(-c3c(F)cccc3F)nc3scc(-c4ccco4)c3c2=O)c1 1857805564 ZXTQMTVTSSMUGD-UHFFFAOYSA-N 445.450 5.583 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)c1c(F)cccc1Cl)c1ccccc1 1861845742 MVJFDDGKYDEGPL-HSZRJFAPSA-N 446.994 6.207 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C2CCCCC2)cc1 1862379419 BGNXCENOXBDPOR-NRFANRHFSA-N 444.358 6.213 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1cccc(Cl)c1 1862380824 LYQFJFXEYCCLDD-GOSISDBHSA-N 438.738 6.025 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(C(C)(C)C)cc1 1862382162 FUSFICOFVYVAPS-IBGZPJMESA-N 432.347 5.889 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)cc1 1862414130 SHODXBJEDYQDII-UPNLOYSTSA-N 441.474 5.130 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc(Cl)c1 1862432989 ROMQSWQIBBWOJU-RFVSGWPVSA-N 444.358 6.150 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccccc2)c1 1862433939 OPZJEHOXYTXWKG-QHCPKHFHSA-N 447.918 5.517 30 10 IKEE CN(C)c1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CCCCC2)cc1 1862434210 UQDKJUWRBSQCJD-JOCHJYFZSA-N 438.955 5.317 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCCc2ccccc2)[C@H]1c1ccccc1)c1cccc(Cl)c1 1862441514 JROZSTWKEVKPCS-DEOSSOPVSA-N 445.946 5.941 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCC(C)C)cc1 1862447672 VZRWADIFSFFOOS-NRFANRHFSA-N 427.928 5.363 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862451352 CRDPJFHLHDYUCY-OPAMFIHVSA-N 441.955 5.896 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(Br)c1 1862452833 LQGUSAKHPZPOGY-QGZVFWFLSA-N 434.717 5.091 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccccc1 1862455666 ACLJBVGEFTYDMV-MPKWNAGQSA-N 429.438 5.261 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2c(F)cccc2Cl)cc1 1862480612 KSQLLMRFJZUHIX-HJPURHCSSA-N 449.909 6.127 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862480682 LZVGCNIAOOCBLO-AQKFKSFVSA-N 434.492 5.060 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862489169 QRMFRCBSZMTMQN-VWLOTQADSA-N 447.575 6.003 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccccc2Cl)c1 1862490663 APPKIJKPSVBUQL-QHCPKHFHSA-N 449.909 5.874 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@H](C)CC)cc1 1862496762 SAJIKBFELBNQHV-NTKDMRAZSA-N 435.564 5.859 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc2c(c1)CCCN2C 1862498978 VMOUFUUGFUJCIS-MHECFPHRSA-N 432.564 5.063 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 1862518957 XWUUBCNTCQRJNS-QHCPKHFHSA-N 435.564 5.760 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)cc3)=C(O)C(=O)N2C2CC2)cc1 1862521727 ORZRPNUPFNPTBQ-XMMPIXPASA-N 449.547 5.395 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccc(CC)cc2)cc1 1862529357 FCHUOMOUWBUKNE-DEOSSOPVSA-N 435.564 5.205 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccccc2)cc1OC 1862576030 KUFRNDNDUXQISX-DEOSSOPVSA-N 447.531 5.173 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2ccc(Cl)cc2)c1 1862591955 RQTOVKJMJHJBMO-QFIPXVFZSA-N 433.891 5.133 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCCOC(C)C)cc1 1862712972 FAFYQIMZGFTVPP-RUZDIDTESA-N 443.543 5.542 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccc2ccccc12 1862728186 VUWNTGWJUAGIHC-HHHXNRCGSA-N 447.534 6.494 30 10 IKEE CCOc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(Cl)cc3)C2=O)cc1 1862792057 DVEIGYCPMUKZHJ-UHFFFAOYSA-N 443.890 5.007 30 10 IKEE Cc1ccc(C2=C(Nc3cc(Cl)ccc3Cl)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862905294 GGDGQERHJQADRD-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE N#Cc1ccccc1NC1=C(c2cccc3ccccc23)C(=O)N(Cc2ccccc2)C1=O 1863230696 LFUHQECVVLNFEI-UHFFFAOYSA-N 429.479 5.104 30 10 IKEE CC(C)c1nc(Nc2cccc(C#N)c2)cc(N2CCC[C@H]2c2nc3c([nH]2)CCCC3)n1 1868221096 DXWRNMDPYSZLPT-NRFANRHFSA-N 427.556 5.159 30 10 IKEE COCCc1nc(Nc2cccc(C#N)c2)cc(N2CCC[C@@H]2Cc2ccc(Cl)cc2)n1 1868247296 ZMZXGQQOLZAUSV-JOCHJYFZSA-N 447.970 5.146 30 10 IKEE Cc1ccccc1Cn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSC(C)(C)C 1870233392 NEYAGWOKXLQSDT-UHFFFAOYSA-N 432.589 5.687 30 10 IKEE CCCCCCCCCCn1cc(OCc2cccc(C)c2)c(=O)cc1CN1CC(O)C1 1870622146 QXSOTSINPQJOJP-UHFFFAOYSA-N 440.628 5.053 30 10 IKEE C=CCOc1cn(CCCCCCCC)c(CNc2ccc(Cl)c(Cl)c2)cc1=O 1870812171 PPSLRYHUABXDCN-UHFFFAOYSA-N 437.411 6.693 30 10 IKEE C#CCOc1cn(CCCCCCCC)c(CNc2cc(NC(C)=O)ccc2C)cc1=O 1871007004 GOQDLCFQKYZYEG-UHFFFAOYSA-N 437.584 5.100 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(Cl)cc1)O3)CN(CCc1ccc(F)cc1)CO2 1871344562 MKELURHZDCZGBY-QRVIBDJDSA-N 449.909 5.798 30 10 IKEE Cc1ccc(CCC(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)cc1 1871366533 JZKJPAFLYWWBTB-XYGWBWBKSA-N 427.500 5.215 30 10 IKEE O=C(Cc1ccccc1[N+](=O)[O-])Oc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O 1871374623 UQOJSDXGNZBIAZ-NHDPSOOVSA-N 435.819 5.013 30 10 IKEE O=C1/C(=C/c2ccc3c(c2)OCO3)Oc2cc(OC(=O)c3cccc4ccccc34)ccc21 1871377866 IDBSAOZFZDBVIM-MXAYSNPKSA-N 436.419 5.404 30 10 IKEE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O 1871381216 NVIJLWPJXJVIPA-AGWINUGJSA-N 447.830 5.483 30 10 IKEE Cc1cc(OC(=O)/C=C/c2ccccc2)cc2c1C(=O)/C(=C/c1ccc(N(C)C)cc1)O2 1871385067 DFZRMXWFSGNJNW-VVTYEFPJSA-N 425.484 5.296 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(=O)c(-c4ccc(Cl)cc4)c(C)oc3c2)c1 1871389199 ZBVPSABCOLWUIL-UHFFFAOYSA-N 446.886 6.206 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(C)o1)C2=O 1871424768 WEDCDPWFDRGBBT-UUYOSTAYSA-N 431.488 5.401 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(O[C@@H](C)C(=O)Nc3c(C)cccc3C)ccc2C1=O 1871431921 RDZIIIQRLANBFF-SMNNTEATSA-N 443.499 5.334 30 10 IKEE CC(C)=C1Oc2cc(OCC(=O)Nc3ccccc3Sc3ccccc3)ccc2C1=O 1871450921 VJLFBQFPDPWHAI-UHFFFAOYSA-N 431.513 5.724 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C)c(Cl)c4)ccc3C2=O)c1 1871456805 XYHHCDOYWZUVNY-KSEXSDGBSA-N 433.891 5.591 30 10 IKEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1cc(C)ccc1C 1871824082 GDPVSCSDIVPDND-FQEVSTJZSA-N 428.598 5.021 30 10 IKEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1 1871835163 HFQBEIHXKLKRDP-QFIPXVFZSA-N 449.016 5.448 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 1871894771 CMYHSMCLLPHONI-QHCPKHFHSA-N 428.598 5.068 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1cc(C)ccc1C 1872232752 HYFWXAQKEWWHDA-NRFANRHFSA-N 449.016 5.331 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cc(Cl)ccc1C)C(C)C)S(=O)(=O)c1ccc(C)cc1 1872453850 OIAHOHPHAQGVCY-JOCHJYFZSA-N 449.016 5.187 30 10 IKEE CCCCCCCOc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1 1872721087 ABMSGPBTAHFFNL-UHFFFAOYSA-N 429.626 5.679 30 10 IKEE Cc1ccccc1OCCCC(=O)[C@H](C#N)c1nc(-c2ccc3ccccc3c2)cs1 1872760156 IGIQYQOSEZCGOC-QFIPXVFZSA-N 426.541 6.307 30 10 IKEE CCCCCCCOc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3C)n2)cc1 1872777137 HGDVQRFPMRBARI-HSZRJFAPSA-N 432.589 6.958 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@H](C#N)C(=O)[C@H](C)Oc2ccc(Cl)cc2)n1 1872788317 GVDXSXXACCKUDY-YVEFUNNKSA-N 447.343 5.769 30 10 IKEE CCCCCCCSc1nc2ccc(C(=O)N3CCC(N4CCCCC4)CC3)cc2[nH]1 1872822653 FFMVBUHLFSGLPX-UHFFFAOYSA-N 442.673 5.716 30 10 IKEE O=C(Nc1ccc(F)c(F)c1F)c1cccc(COc2c(F)c(F)c(F)c(F)c2F)c1 1872841362 IGQOOIDEJFNGNE-UHFFFAOYSA-N 447.281 5.631 30 10 IKEE CCCCCCCCNC1=C(c2cc(OC)ccc2OC)C(=O)N(CCCCCC)C1=O 1873148376 CSVZRPLTHJALQS-UHFFFAOYSA-N 444.616 5.314 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cc(C)cc(C)c2)=C(c2cccnc2)C1=O 1873265506 NCFOSCKSRZWOOR-UHFFFAOYSA-N 433.596 6.031 30 10 IKEE CCCCCCCCN=c1nc2c(cnn2-c2ccccc2)c(Nc2ccccc2Cl)[nH]1 1873478105 LSOMUGRTDUPXQE-UHFFFAOYSA-N 449.002 6.407 30 10 IKEE CCCCCCCCCCNC(=O)COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 1873935245 MTJDFONBSDQVSU-UHFFFAOYSA-N 448.003 5.961 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(OCC)cc2)n1/N=C/c1sccc1C 1874235365 FAJMZXJIQRWOEN-WSDLNYQXSA-N 428.583 5.176 30 10 IKEE CSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1c(Cl)cccc1Cl 1874253246 ROSUPGHSQUEURT-AUEPDCJTSA-N 435.380 5.693 30 10 IKEE CCOc1c(/C=N/n2c(Cc3cccc4ccccc34)nnc2SC)cccc1OC 1874268229 NLMRORCPMKSHGK-PCLIKHOPSA-N 432.549 5.034 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CCc3cccc(OC)c3)nnc2SCC)cc1 1874309214 LCEGTOURVGVSRB-XIEYBQDHSA-N 438.597 5.245 30 10 IKEE C=CCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccccc1OCCC 1874342812 KHHBMIAHLDGQJT-LFVJCYFKSA-N 426.973 5.471 30 10 IKEE Cc1ccc(C)c(CSc2nnc(COc3ccccc3)n2/N=C/c2sccc2C)c1 1874384355 LIHXNCUUTBYKAQ-AFUMVMLFSA-N 448.617 6.018 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc4ccccc34)n2/N=C/c2ccccn2)cc1 1874390451 NJTALQFFBMWANJ-RDRPBHBLSA-N 449.583 5.900 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@H](C)c3ccccc3)n2/N=C/c2ccncc2)c1 1874398581 BHLPWZSXWCWCQU-CSWGWEJPSA-N 427.577 5.616 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1cccc(O)c1 1874398725 CMOFSQDEOIZCQF-CIRUFVMISA-N 448.979 5.963 30 10 IKEE CCc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccccc2F)cc1 1874408239 MRHJYFOEUSMFCS-WPWMEQJKSA-N 436.600 6.277 30 10 IKEE CCOc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCc2ccccc2)cc1 1874412634 STLDCDHVSAYZSX-LFVJCYFKSA-N 434.590 5.504 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2Cl)n1/N=C/c1cccc([N+](=O)[O-])c1 1874438897 YWVZODUUXQBSGC-YDZHTSKRSA-N 443.960 5.603 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CCCC2)c1 1874455744 JDHCIOACOVZLTR-ZMOGYAJESA-N 426.973 5.778 30 10 IKEE Brc1cccc(/C=N/n2c(SCCc3ccccc3)nnc2C2CCC2)c1 1874495978 OTJAFDMEWZFZAT-HZHRSRAPSA-N 441.398 5.525 30 10 IKEE CCCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1/N=C/c1cccc(Cl)c1 1874506898 AZBAAQDRURFZMB-ZMOGYAJESA-N 441.988 5.114 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(S)n1/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 1874561092 CRXMRQVPIGCFJG-WBILBPDKSA-N 436.625 5.901 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCCc3ccccc3)ccc3ccccc23)cc1OC 1874572954 NPPYRTXUJGEAFR-CCEZHUSRSA-N 438.523 6.375 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccccc2OCc2ccc(F)cc2)cc1OCCC 1874576672 ZWOLHFSINDINQX-RVDMUPIBSA-N 448.534 6.878 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccccc1OCC(=O)NC1CCCCC1 1874584252 FOWOGZXQONISLN-JQIJEIRASA-N 449.591 5.717 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2cccc(F)c2)c2ccccc12 1874591749 AAIXPMGPTGJZJW-FMIVXFBMSA-N 446.905 7.116 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cccc(OCc3cc(C)ccc3C)c2)c1 1874599396 KTBYEQKWXSNAIX-WYMLVPIESA-N 430.544 6.576 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OCC(=O)Nc1ccc(C)c(C)c1 1874608430 NYMFUDJKQVQOHT-FMIVXFBMSA-N 449.934 5.879 30 10 IKEE CCOc1c(Br)cc(/C=C/C(=O)c2ccc(OC)cc2)cc1Br 1874608546 UIURKBUSORMYGR-RUDMXATFSA-N 440.131 5.515 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OCc2c(F)cccc2Cl)c(Cl)c1 1874610477 VBQRDACSVLMNNP-PKNBQFBNSA-N 431.290 6.616 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(OC)c1OCc1ccc(C)cc1 1874635725 WCCUGYWSCHMKAZ-BUHFOSPRSA-N 440.583 7.132 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cc(Cl)ccc3Cl)c2)cc1C 1874696564 ZZUMTBSNAAMOOJ-UXBLZVDNSA-N 441.310 6.426 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cc(OC)cc(OC)c3)c2)cc1 1874702266 WKDAZOCHFALHTL-MDWZMJQESA-N 446.499 5.608 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc3cc(Cl)ccc3n2)c1)c1ccc(F)cc1 1874708773 UEOGAIPRMPVHSQ-YIXHJXPBSA-N 431.850 6.143 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)Cc1cccs1 1875105980 WFQBTVNYFCLFER-XBXARRHUSA-N 447.339 6.108 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1)c1cccc(Br)c1 1875114697 QXHZNVNUKRBGAX-FMIVXFBMSA-N 441.708 6.218 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OCC)cc2)cc1Br 1875129990 DBPKETKRMNZBGF-NTUHNPAUSA-N 431.326 5.840 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)C(F)(F)F 1875156696 JSHUMDIMEGGHMS-BJMVGYQFSA-N 440.845 6.226 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2)c(C(C)(C)C)c1 1875157545 CVJRCIPWDNYWMR-OVCLIPMQSA-N 446.518 6.312 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)CCCSC 1875168147 UCSBSGXSSZDMRK-DHZHZOJOSA-N 428.550 5.265 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)c1ccncc1 1875183691 NZPIYHPDVROVEO-CMDGGOBGSA-N 441.527 5.859 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3)cc2)c2ccccc12 1875190991 WKVYPVGVCUASQG-QGOAFFKASA-N 436.507 6.283 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)[C@H]1C1CC1 1880354594 VNBGSGBHOIQDIT-NLFFAJNJSA-N 441.572 5.105 30 10 IKEE Cc1ccc(Nc2cc(Nc3ccc(NC(=O)Nc4ccc(C#N)cc4)cc3)nc(C)n2)cc1 1892025309 JLUJABBFEBOABB-UHFFFAOYSA-N 449.518 6.096 30 10 IKEE CC(C)[C@H]1C[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)CN1Cc1ccccc1 1912206617 TYXCEIVJIPVRDE-OFNKIYASSA-N 426.565 5.117 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C 1922079596 HCEIMAHHKAOLAG-SMIHKQSGSA-N 430.633 5.601 30 10 IKEE CC#CCCCC[C@H](NC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2019498675 SFXXBQXZZXHSTN-OZXSUGGESA-N 428.617 5.002 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@@H](C#N)[C@@]1(C)CCCN1C(=O)OC(C)(C)C 2020799518 WYOZSKJKJABOHW-FDDCHVKYSA-N 449.979 5.763 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)CCC1(C)C 2038519134 JXBWRWLBPXAWNM-DEOSSOPVSA-N 447.551 5.639 30 10 IKEE CCN(CC)c1ccc(C=C2CCC(C=NN=Cc3ccccc3)=C2N2CCOCC2)cc1 2040465033 TXIZNGFYAHEFAQ-UHFFFAOYSA-N 442.607 5.401 30 10 IKEE C=C([C@@H](NCCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)C(C)(C)C 2041909047 GHNVJKKUUXLDBU-YIXXDRMTSA-N 444.660 5.801 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3)cc2C=CC(=O)c2cccs2)cc1[N+](=O)[O-] 2053497478 LMUZKRXGDJHSKX-UHFFFAOYSA-N 431.473 5.414 30 10 IKEE O=C(C1=COCCC1)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071356047 JXEUISRQMRYRCU-AREMUKBSSA-N 430.500 5.141 30 10 IKEE C#CCCCC[C@@H](N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071361957 YGTICSTVWHTYGE-NAKRPHOHSA-N 429.560 5.399 30 10 IKEE CC(C)(C)c1nn(Cc2cc(F)ccc2C(F)(F)F)c(C(F)(F)F)c1Br 2079138568 KCBVVIZBNQHNKN-UHFFFAOYSA-N 447.192 6.168 30 10 IKEE CC(C)c1nn(Cc2cc(F)cc(C(F)(F)F)c2)c(Br)c1C(F)(F)F 2079798354 BOFJGXJSOXNHMM-UHFFFAOYSA-N 433.165 5.994 30 10 IKEE CCCc1ccc([C@H](n2nc(C(C)C)c(C#N)c2I)C(C)(C)C)cc1 2080043149 QESLYHSDTIWMJQ-IBGZPJMESA-N 449.380 6.071 30 10 IKEE CCCc1ccc([C@@H](CC)n2nc(C(C)C)c(C=NO)c2I)cc1 2080052721 CTBIBJZOWBGYBN-QGZVFWFLSA-N 439.341 5.371 30 10 IKEE CCCOc1ccc([C@@H](C2CCC2)n2nc(C(F)(F)F)c(C#N)c2Br)cc1 2080078188 PNPQXWLXMSAQQQ-MRXNPFEDSA-N 442.279 5.714 30 10 IKEE Fc1ccc(C(F)(F)F)c(-c2c(C(F)(F)F)nn3c(Cl)c4c(nc23)CCOC4)c1 2081431467 VSXHWARQZNPZHT-UHFFFAOYSA-N 439.718 5.299 30 10 IKEE CC(C)[C@@H](C)[C@@H](CNc1ccc(C#N)c(Br)c1F)NC(=O)OC(C)(C)C 2106006853 OXLLBYRCJNIUOH-IUODEOHRSA-N 428.346 5.057 30 10 IKEE N#Cc1cc(Br)ccc1OCc1ccc(I)c(Cl)c1 2142985865 WHRTVUWCNOULGR-UHFFFAOYSA-N 448.485 5.158 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@]2(CNc3ccc(C#N)c(Br)c3)CCC[C@H]12 2165308429 UOUZUUDAFVVHGD-GHTZIAJQSA-N 434.378 5.302 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CC[C@@]2(CCCOC2)C1 2185133241 MEQJMKSPZKNLSO-SFTDATJTSA-N 435.362 5.434 30 10 IKEE C=CCN(CC[C@@H](NCC)c1ccc(Br)cc1CC)C(=O)OC(C)(C)C 2229247094 SMHUQAIGQNTKJX-LJQANCHMSA-N 425.411 5.475 30 10 IKEE C=C1CCC(C[C@H](N)[C@H](Cc2ccccc2Br)NC(=O)OC(C)(C)C)CC1 2237423745 DGINILOYYCHEKC-PMACEKPBSA-N 437.422 5.349 30 10 IKEE CC1(C)OB(c2ccc(C(=O)N(Cc3ccccc3)CC3CCC3)cc2Cl)OC1(C)C 2255765144 MGUJPQCRYWVAER-UHFFFAOYSA-N 439.792 5.082 30 10 IKEE N[C@H](CC#CC1CCCC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2261156661 QTPRFZOQTPWHTE-HHHXNRCGSA-N 425.572 6.428 30 10 IKEE C=CCCC1([C@@H](NC)c2cccc(Br)c2Cl)CN(C(=O)OC(C)(C)C)C1 2266312756 MQLRLZOMEFJYBQ-KRWDZBQOSA-N 443.813 5.566 30 10 IKEE C=C([C@@H](OCCC(=O)O)c1cc(Br)c(Br)s1)[Si](C)(C)C 2292255941 IUIDIGZQHTUWFN-GFCCVEGCSA-N 442.245 5.239 30 10 IKEE C=CCC1([C@@H](NCCC)c2ccc(C)c(Br)c2)CN(C(=O)OC(C)(C)C)C1 2295976803 CAWJQPZHOBHGPS-IBGZPJMESA-N 437.422 5.611 30 10 IKEE CCCCCCCCCCCCCCCCSCCN=Cc1cccc([N+](=O)[O-])c1 2296646532 LCDSNUKHZHWNBY-UHFFFAOYSA-N 434.690 8.228 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2)CN(Cc2ccccc2)CC1=Cc1ccc(Cl)cc1 2297333976 OSUWILFLOHLUFU-UHFFFAOYSA-N 434.366 6.545 30 10 IKEE N[C@@H](C#Cc1cccs1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2300797170 WWTVREYXCLAPPU-VWLOTQADSA-N 425.553 5.958 30 10 IKEE CN1C(=O)C(=Cc2ccc(OCc3ccccc3Cl)cc2)SC1=Nc1cccnc1 2314540945 BVDLAWBLXVLLRK-UHFFFAOYSA-N 435.936 5.548 30 10 IKEE Cc1csc(N=C2SC(=Cc3cccc4ccccc34)C(=O)N2C2CCCCC2)n1 2314543620 IUFAFPPWGBBSJE-UHFFFAOYSA-N 433.602 6.541 30 10 IKEE CCCCCCCCCCN1C(=O)C(=Cc2ccc(Cl)c([N+](=O)[O-])c2)SC1=S 2318684306 YUTJCKIECWSTCL-UHFFFAOYSA-N 441.018 6.590 30 10 IKEE CCCSc1nnc(C(C)C)n1N=Cc1ccc(OCc2ccccc2)c(OCC)c1 2321828856 NKJAIYFNDZSISH-UHFFFAOYSA-N 438.597 5.764 30 10 IKEE CN(C)CCCCN1COc2ccc3c(c2C1)OC(=Cc1ccc(Cl)cc1Cl)C3=O 2322119879 XUWWRAVDDHJIMQ-UHFFFAOYSA-N 447.362 5.103 30 10 IKEE CCc1ccc(C(=O)C=Cc2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)cc1 2322353709 STLAVGXYWTUYAP-UHFFFAOYSA-N 437.495 6.786 30 10 IKEE Cc1c(OC(=O)c2ccc(F)cc2)ccc2c1OC(=Cc1ccc(Cl)cc1Cl)C2=O 2322781707 AMDOYNAGSTUQAK-UHFFFAOYSA-N 443.257 6.276 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OC(=O)Cc3ccc(OC)cc3)cc(C)c2C1=O 2322904367 NGWVOBUPDJVEBP-UHFFFAOYSA-N 444.483 5.167 30 10 IKEE Cc1ccc(NN=Cc2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1C 2322922728 JMPCWLSKKCDDHD-SSEXGKCCSA-N 444.582 7.105 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCc3ccccc3Cl)c2)cc1OC 2323057746 BAXMLSADKSQMST-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc(F)c(F)c4F)c3C)C2=O)cc1 2323127373 XDFOGVAVXVGNQD-UHFFFAOYSA-N 438.401 5.810 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC)c(OCc3ccccc3Cl)c2)cc1 2323153966 GCPACAUJMZTUHA-UHFFFAOYSA-N 436.935 6.613 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)c4ccc(Cl)cc4[N+](=O)[O-])cc(C)c3C2=O)c1 2323283340 WXNLCKFXGXXXCM-UHFFFAOYSA-N 449.846 5.700 30 10 IKEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1ccc(C)cc1 2323371018 QSVYWSRHFLZREO-UHFFFAOYSA-N 433.460 5.396 30 10 IKEE CC(C)c1ccc(C=C2Oc3cc(OC(=O)Cc4ccccc4[N+](=O)[O-])ccc3C2=O)cc1 2323379744 KVSVAPKFRVEPDX-UHFFFAOYSA-N 443.455 5.483 30 10 IKEE Cc1c(OC(=O)Cc2cc(Cl)ccc2Cl)ccc2c1OC(=Cc1ccncc1)C2=O 2323409508 KWGLTZCZCDXOCG-UHFFFAOYSA-N 440.282 5.461 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(Cl)c1OCc1cccc(C)c1 2323419576 WVESMXVZDOHZHF-UHFFFAOYSA-N 446.974 7.011 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccccc1F 2323532588 STAQYQUNKXRHPR-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1F 2323915025 ZTPWGVJMRTZXKS-UHFFFAOYSA-N 433.479 5.446 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3)c([N+](=O)[O-])c2)c1 2323949539 ODJXYBFXDOVPHL-UHFFFAOYSA-N 430.460 5.125 30 10 IKEE CCCN(CCC)Cc1c(O)cc(C)c2c1OC(=Cc1c(Cl)cccc1Cl)C2=O 2324097411 QCMVOTLMHBHESG-UHFFFAOYSA-N 434.363 6.246 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3c(ccc(O)c3CN3CCCC[C@H]3CCO)C2=O)cc1 2324140429 RECBZTJJKNRHKI-FQEVSTJZSA-N 435.564 5.043 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cc(C)cc(C)c3)cc2)c(OC)c1 2324464573 MHBGFUKUXZVDRE-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE Cc1ccc(OCCCCOc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2324586283 RRPAVEKTJXLPAE-UHFFFAOYSA-N 434.919 6.503 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCc4ccc(C(=O)OC(C)C)cc4)cc(C)c3C2=O)cc1 2324606053 QCOJPIUMDHVHIQ-UHFFFAOYSA-N 442.511 6.064 30 10 IKEE CCc1ccc(OCCCOc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1 2324654024 YIFNVQUQFOXSJL-UHFFFAOYSA-N 434.919 6.367 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(C(C)C)cc3)n2)c1C 2324719102 CUUBWSWLRVIUGM-HSZRJFAPSA-N 428.601 7.057 30 10 IKEE Cc1c(OCc2ccc(C#N)cc2)ccc2c1OC(=Cc1ccccc1Br)C2=O 2324760666 SXTJMRCOFBWAFF-UHFFFAOYSA-N 446.300 5.824 30 10 IKEE CCCCCCCCCOc1ccc2c(c1)OC(=Cc1c(Cl)cccc1Cl)C2=O 2325183543 FFYBBVKDIFQVPZ-UHFFFAOYSA-N 433.375 7.739 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cc(Cl)ccc3Cl)c2)cc1 2325705689 MQQOSDZYUSBRDC-UHFFFAOYSA-N 425.311 6.671 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc2c(c1)OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2325713724 JLCRZQNDKBRNGV-UHFFFAOYSA-N 441.527 5.926 30 10 IKEE COc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(Cl)cc4C)ccc3C2=O)cc1 2325716078 FWAIMFQXSKDFAP-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE Cc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(Br)cc3)c2)cc1C 2325716497 JONRHMFAMJGWQY-UHFFFAOYSA-N 435.317 6.181 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OC(=O)c2ccc(Cl)c(Cl)c2)c1 2325743321 ORRILUABWHVRKM-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1cccc(C=CC(=O)c2ccc(F)c(F)c2)c1 2325753418 ACYUHMSFNXVIQR-UHFFFAOYSA-N 428.434 6.162 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1N=Cc1cccc(C(F)(F)F)c1 2326637415 USHPFXXVYQQQDE-UHFFFAOYSA-N 440.494 6.187 30 10 IKEE CCCOc1ccc(C=Nn2c(C)nnc2SCc2ccc(Cl)cc2Cl)cc1 2326697818 FOYDQIGYQATMHF-UHFFFAOYSA-N 435.380 5.857 30 10 IKEE CCOc1cc(C=Nn2c(CC34CC5CC(CC(C5)C3)C4)nnc2SCC)ccc1O 2326900943 LKMFSZNOVSEMEK-UHFFFAOYSA-N 440.613 5.136 30 10 IKEE COc1ccccc1CCc1nnc(SCc2ccccc2C)n1N=Cc1cccs1 2328669754 XRFSKGOVHTYYDH-UHFFFAOYSA-N 448.617 5.616 30 10 IKEE Cc1cccc(CSc2nnc(CCOc3ccccc3)n2N=Cc2ccccc2)c1 2329171093 NDHSTNFQQBXZSS-UHFFFAOYSA-N 428.561 5.383 30 10 IKEE Cc1ccc(C=Nn2c(COCc3ccccc3)nnc2SCc2ccc(C)cc2)cc1 2329303494 ZJOYGDYWZDMOQV-UHFFFAOYSA-N 442.588 5.786 30 10 IKEE CCc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccc(C)cc2)cc1 2330221833 XYHMAGGOKHBYBU-UHFFFAOYSA-N 432.637 6.446 30 10 IKEE CCCSc1nnc(CC2CCCCC2)n1N=Cc1cc(Br)ccc1F 2330280598 MOGKPCRNCVZLKF-UHFFFAOYSA-N 439.398 5.687 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(CC)cc2)cc(OC)c1OC(=O)CC1CCCCC1 2330767295 FRKDWZCSVLMMON-UHFFFAOYSA-N 446.587 6.758 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Br)cc2)cc(OC)c1OC(=O)CC(C)C 2330883136 SFOIZZGADZRAIN-UHFFFAOYSA-N 447.325 5.314 30 10 IKEE Cc1cccc(CSc2nnc([C@@H]3CCCO3)n2N=Cc2c(Cl)cccc2Cl)c1 2330929445 QBNSKZGPRLXFIC-IBGZPJMESA-N 447.391 5.919 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)cc2)cc1 2330952349 WABBSVNRVLONJO-HXUWFJFHSA-N 444.527 6.088 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)c2ccc(Br)cc2)cc1 2331051854 RZKKYJPJMSUPKT-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(CC(C)C)n2N=Cc2ccccc2C)cc1C 2331430627 OBGURIZUDVTWII-UHFFFAOYSA-N 435.597 5.015 30 10 IKEE CCSc1nnc(CC(C)C)n1N=Cc1ccc(OCc2ccc(C)cc2)c(OC)c1 2331447357 KISWMLVGZPKCJN-UHFFFAOYSA-N 438.597 5.367 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)C)n2N=Cc2ccc(Cl)c(Cl)c2)c1 2331456483 SMQGKBVALCWHKB-UHFFFAOYSA-N 447.435 6.575 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1)c1cccc2ccccc12 2331470013 XLBYLPBDGNLXDT-UHFFFAOYSA-N 428.487 7.108 30 10 IKEE Cc1ccccc1CSc1nnc(C2CCC2)n1N=Cc1cccc(Br)c1 2331491947 YYSIWJWCJNHGQL-UHFFFAOYSA-N 441.398 5.791 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2C2CCC2)c1 2331523787 YDQJVFOBJVWEFP-UHFFFAOYSA-N 434.609 6.126 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cnc(C)cn3)c(Cl)c2)c(C)c1C 2331612830 JFLUWMBMHQXMMR-UHFFFAOYSA-N 436.895 5.179 30 10 IKEE CCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1N=Cc1ccc(C(C)C)cc1 2331636680 KNUVTZZFQLZLTQ-UHFFFAOYSA-N 435.597 5.275 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)c1cccnc1 2331668799 OMOJDFKAYFZEBD-UHFFFAOYSA-N 431.488 5.221 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C(C)C)c1 2331705346 KOCWUOMTXQNAOI-UHFFFAOYSA-N 449.407 6.282 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)c1ccccc1C 2331864202 ZZLCGUOBMVJDGH-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE CC[C@H](N[C@@H]1C[C@@H](OCc2ccccc2)C1(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363836332 MDOQLDDPNFQKFY-ISJGIBHGSA-N 449.444 5.410 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(C)c(C)c(Br)c(C)c1C 2372277912 HNFYWSKCCIHLLD-XLIONFOSSA-N 439.438 5.803 30 10 IKEE CC1(C)CCC[C@@](C=O)(Cc2ccc(I)c(Br)c2)CC1 2377435979 YSYHKGYUYHLVMH-KRWDZBQOSA-N 449.170 5.772 30 10 IKEE CCCCCCCCCCOc1ccc(C2=N/C(=C/c3cccc(Cl)c3)C(=O)O2)cc1 1948931 MBXRTUSGIPSVCA-LYBHJNIJSA-N 439.983 7.204 30 10 IKEE COC(=O)C1=C(Nc2ccc(Cl)c(Cl)c2)S/C(=C/c2c[nH]c3ccccc23)C1=O 3771342 ZITXVNOSCMJZKG-CAOOACKPSA-N 445.327 5.628 30 10 IKEE N#CCCSc1nnc(-c2cc(-c3ccccc3)nc3ccccc23)n1-c1ccccc1 9395436 FKVFYFAFXIRLIQ-UHFFFAOYSA-N 433.540 6.155 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(CC)cc2)C3)cc1OCC 21222949 QMCSRVVJJCPASK-SFTDATJTSA-N 433.548 5.051 30 10 IKEE N#CCCn1cc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3[nH]2)c(-c2ccccc2)n1 33393298 VKVOMFLLPQLWNC-PTGBLXJZSA-N 443.510 5.764 30 10 IKEE Cc1ccc(-n2c(C)cc3c2CC(C)(C)C/C3=N\OC(=O)Nc2ccc(Cl)cc2)cc1 39853117 WHFUUIVSVSZGKU-XAYXJRQQSA-N 435.955 6.673 30 10 IKEE O=C1N/C(=N\N=C\c2ccc(-c3ccccc3)o2)S[C@@H]1Cc1cccc(C(F)(F)F)c1 39888400 OKUUVPSOGQMYAW-KXQYEYADSA-N 443.450 5.130 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccc(CC)cc1 40081028 XAYUXQCYVASPLD-DEOSSOPVSA-N 435.564 5.662 30 10 IKEE C=CCc1ccccc1OCCn1c([C@H](C)NC(=O)c2ccccc2C)nc2ccccc21 40186455 XSPCKWOKODXWNL-NRFANRHFSA-N 439.559 5.643 30 10 IKEE Cc1cc(C)cc(C/N=C2/NC(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)c1 59432564 XKSOHNPALMLYTR-CIAFOILYSA-N 433.489 5.232 30 10 IKEE C=CCOc1ccccc1[C@H]1CC(=O)Nc2c1sc(C(=O)O)c2-c1ccc(Cl)cc1 64795517 WSKHQDMOGCCFJC-MRXNPFEDSA-N 439.920 5.806 30 10 IKEE Cc1ccc2[nH]c3nc(N/N=C/c4ccc(OCc5ccccc5Cl)cc4)nnc3c2c1 64981266 HDKMTJXQIDBJOW-LGJNPRDNSA-N 442.910 5.493 30 10 IKEE CCOc1ccc(C(=O)/N=C(/NCCc2c[nH]c3ccccc23)Nc2ccccc2)cc1 66437680 KJMAVRSDMHFUPV-UHFFFAOYSA-N 426.520 5.007 30 10 IKEE CCCCCCCOc1ccc(NCC(=O)Nc2ccc(C(=O)N[C@@H](C)CC)cc2)cc1 100077707 QWDUFTYZUYNMLF-FQEVSTJZSA-N 439.600 5.615 30 10 IKEE CCCCCCCCCCn1c([C@H](C)NC(=O)Cc2ccccc2C)nc2ccccc21 102132879 KOIDNYUIRSJTCH-QHCPKHFHSA-N 433.640 6.905 30 10 IKEE O=C1/C(=C\c2cc(Cl)cc3c2OCOC3)Oc2cc(OC(=O)C3CCCCC3)ccc21 102719819 YUGSYQBJGVHXKA-UFFVCSGVSA-N 440.879 5.308 30 10 IKEE CCCCCCCCOCC12CO[C@@H](c3ccc(F)cc3)N1[C@@H](c1ccc(F)cc1)OC2 103678685 CVIAQUAIMWJTQD-IQCGEYIDSA-N 445.550 6.141 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/NS(=O)(=O)c2cccs2)cc1OC 169907322 OFUXQFVRWVDOOQ-OQKWZONESA-N 438.615 5.199 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C)c2)c1 169930753 RMVUTLQXUJWBIE-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1Cc1cccs1 169939453 NYDBUGIWEQSROR-QFIPXVFZSA-N 444.512 5.017 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2cccc(C)c2)cc1 169967622 QWNSWLONTKYDDY-RUZDIDTESA-N 425.528 6.210 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccccc2C)cc1 170030136 KBVXDFRIUONRMI-SANMLTNESA-N 441.527 5.496 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccccc2F)cc1C 170069997 ODLZQBQUUFWAQQ-JOCHJYFZSA-N 446.434 5.134 30 10 IKEE CCCOc1ccc(C2=C(SCc3ccco3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170091186 KELLIKHWPHNCAP-UHFFFAOYSA-N 444.512 5.158 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@H]1c1cccnc1 170186892 DXPIYHRJHYVWHE-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccccc2)c(C)c1 170226415 SXOROYSSKRQARY-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(F)cc1)c1ccc2ccccc2c1 170242390 FODSSBDHRMGKHH-DEOSSOPVSA-N 429.491 5.890 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1ccccc1F 170253323 DCUQUSPFXDAYBZ-QHCPKHFHSA-N 439.527 5.690 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CCCOC)cc1 170266928 MWSAWPGXFSGHTM-HXUWFJFHSA-N 448.346 5.171 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1ccccc1C 170271658 ZXORNZYKEIFOJK-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1CCCOC(C)C 170278173 CFWKMPRIANQFIN-RUZDIDTESA-N 443.543 5.542 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)cc(C)c3OC)[C@H]2c2ccco2)c1 170279000 QFURWUKHKFSBFU-JOCHJYFZSA-N 447.487 5.087 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@H]1c1ccco1 170294756 LHKOPTIAEVXPEH-OAQYLSRUSA-N 425.525 5.354 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)[C@@H]2c2ccc(C)o2)c1 170300516 FJECSCKAGXXVBL-QFIPXVFZSA-N 447.874 6.079 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccc(C)o2)cc1OC 170301681 XFCDKNXQJLIYIK-HSZRJFAPSA-N 447.487 5.005 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1cccc(OCc2ccccc2)c1 170457443 BVMUWLGFJCAWKJ-DEOSSOPVSA-N 441.527 5.781 30 10 IKEE CCOc1cccc(/C=C2/Oc3cc(OC)ccc3C2=O)c1OC(=O)/C=C\c1ccccc1 210088002 OUQJZPBTMLTEJH-IHFHZXHXSA-N 442.467 5.329 30 10 IKEE CSC1=NC(=Nc2c(C)cccc2C)C2(CCCC2)N1c1cccc(C(F)(F)F)c1 254866508 LHRLYJAIXOCCJQ-UHFFFAOYSA-N 431.527 6.904 30 10 IKEE N#C[C@@H](Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1 394539915 SJMXQYNJQKESNL-CQSZACIVSA-N 444.952 5.651 30 10 IKEE CCOc1c(Br)cc(Br)cc1/C=C/B1OC(C)(C)C(C)(C)O1 396638838 GGRPDVZNBCUIMG-BQYQJAHWSA-N 431.961 5.255 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2sccc2C)cc1 526487284 WSMQVPCLXJXXAQ-JOCHJYFZSA-N 430.529 5.774 30 10 IKEE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@H]1c1ccc(F)cc1 526492661 YUHJTTUTGALCAX-QHCPKHFHSA-N 444.462 5.162 30 10 IKEE Cc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(Br)cc2)cc1 526519507 AFVBGGSFVXGDFO-QFIPXVFZSA-N 445.316 5.686 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1cc(Cl)c(O)c(Cl)c1 526806787 USNCCEORNWMBPI-WNFQYIGGSA-N 427.744 5.427 30 10 IKEE Clc1ccc(CSc2nncn2/N=C\c2cccc(Cl)c2Cl)cc1Cl 526814166 GPAQBPGBNHTQHB-HOEBFWFUSA-N 432.163 6.066 30 10 IKEE C[C@@H](c1ccccc1)N(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586135182 XPNWXJUWDNEQNS-INIZCTEOSA-N 445.371 5.817 30 10 IKEE Cc1ccc(CN(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(OC(C)C)cc2)cc1 586147781 AICXHYZKRKXCDP-UHFFFAOYSA-N 434.561 5.045 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@]1(C#N)CCOc2ccc(Br)cc21 698422701 DYPPMMSIPGMKPS-JOCHJYFZSA-N 443.341 5.388 30 10 IKEE C[C@@H](C[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1)c1ccccc1 698441499 ANMVYKVXKQMRBY-JXFKEZNVSA-N 429.358 6.277 30 10 IKEE CC[C@@](C#N)(Cc1ccccc1)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 698444801 NNIXHMOCHUBJAW-QFIPXVFZSA-N 429.358 6.106 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1cc2cscc2s1 703236646 ISTJZWBKBSOARI-OAHLLOKOSA-N 449.395 6.732 30 10 IKEE CCC(=NNc1nc(SCC(=O)Nc2cccc(Cl)c2Cl)n[nH]1)c1ccccc1 1084121283 YDDCLCBFQLXPJO-UHFFFAOYSA-N 449.367 5.069 30 10 IKEE CCOC(=O)c1sc(N=Cc2cccc(OCc3ccccc3)c2)c(C(=O)OC)c1C 1084518528 MDRARBPDBFTTKP-UHFFFAOYSA-N 437.517 5.349 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 1860729512 IZCWJWNYHCQECW-FMIVXFBMSA-N 436.851 5.048 30 10 IKEE CCCCCCCCNC(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc(Cl)cc1Cl 1861559201 FDRSLCMSGOCBLT-VSFZPWCASA-N 425.400 5.474 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)c1cccc(Oc2ccccc2)c1 1861754907 JIUNNJQLOPNQPC-VWLOTQADSA-N 438.612 6.244 30 10 IKEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)c1cc([N+](=O)[O-])ccc1Cl 1861833268 FVDVTPMHQOTHQL-UHFFFAOYSA-N 425.957 5.014 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862412325 BNCMDQXWXLPTPI-QFIPXVFZSA-N 437.417 5.191 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2C2CCCC2)cc1 1862458769 VIKKTDYINQCSDT-OAQYLSRUSA-N 429.438 5.187 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cccc(F)c1 1862489281 UCJYZFZWKOWNTK-ZJSXRUAMSA-N 437.555 6.380 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccccc2[N+](=O)[O-])c1 1862492634 WJLBGAUHCMUGPP-HSZRJFAPSA-N 448.519 5.513 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccccc2F)ccc1F 1862502376 YFWOVXLYKOMEBX-JOCHJYFZSA-N 425.475 5.574 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccccc2)cc1OC 1862575653 BNMDFEKMRZWMNE-MZNJEOGPSA-N 443.499 5.043 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(C(C)C)cc1 1862583913 MKZZMZCNXVAHIQ-OAQYLSRUSA-N 446.374 6.351 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 1862692619 POYQHBLPXSIRMX-XMMPIXPASA-N 447.575 5.904 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(OC)cc1 1862725388 HZHDYFXFMVLXQZ-RUZDIDTESA-N 441.527 5.741 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1c(F)cccc1Cl 1862737095 CSVMIKUEVKIHPA-LJQANCHMSA-N 446.862 5.012 30 10 IKEE CCOc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(CCC3=CCCCC3)C2=O)cc1 1863211134 DDFUTJFBQQHMKM-UHFFFAOYSA-N 441.531 5.039 30 10 IKEE Cc1cccc(CN2C(=O)C(Nc3ccc(C#N)cc3)=C(c3cccc4ccccc34)C2=O)c1 1863224388 KABKNZUABKFCFY-UHFFFAOYSA-N 443.506 5.412 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(N(C)C)c2)=C(c2ccccc2F)C1=O 1863298358 BBTLBMGYWRHXCU-UHFFFAOYSA-N 437.559 5.444 30 10 IKEE CC[C@](C)(NC(=O)C[C@@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866746378 OQOAQKQSOVONOK-SQHAQQRYSA-N 433.596 5.735 30 10 IKEE CCCC[C@H](NC(=O)C[C@H](c1ccc(F)c(C)c1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866763542 CNVIOPMNUYTUDD-UPVQGACJSA-N 437.559 5.449 30 10 IKEE CCCC[C@@H](NC(=O)C[C@@H](CC(C)C)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)cc1 1867105632 WQAINWCCVPZUJP-ZJSXRUAMSA-N 437.559 5.531 30 10 IKEE N#Cc1nnn(Cc2ccc(Cl)c(Cl)c2)c1NC(=O)c1cc(Cl)ccc1Cl 1870110047 XIGFBORFALNCBS-UHFFFAOYSA-N 441.105 5.064 30 10 IKEE C=CCn1cc(OCC(=O)Nc2cccc(C)c2C)c(=O)cc1CSc1ccc(C)cc1 1870211089 KEQLVAZIYJYLOG-UHFFFAOYSA-N 448.588 5.269 30 10 IKEE CCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CN(C)Cc1ccccc1 1870353219 KZDXVLOVBPFYEZ-UHFFFAOYSA-N 426.645 6.266 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2C)c(CNc2ccc(C)c(C)c2)cc1=O 1870836181 HRQJOUCDRAZENC-UHFFFAOYSA-N 446.635 6.783 30 10 IKEE CCCCCCCCn1cc(OCC(C)C)c(=O)cc1CNc1cccc(NC(C)=O)c1 1870857867 KBCHUIMRPNASCH-UHFFFAOYSA-N 441.616 5.814 30 10 IKEE CCCCCCCCCCN=c1nc2c(cnn2C)c(Nc2cc(Cl)ccc2O)[nH]1 1871298915 NZQBACLFIWDOJO-UHFFFAOYSA-N 430.984 5.440 30 10 IKEE COc1ccc([C@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2sccc2C)C4=O)cc1 1871354485 RQTKERCSQUSNNO-BDQMVGTNSA-N 433.529 5.594 30 10 IKEE CCOc1ccc(OCC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1 1871366874 QWHAHEKGDRCXKE-OYKKKHCWSA-N 444.483 5.303 30 10 IKEE Cc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2OC(F)F)C3=O)cc1 1871367032 UXMGGNHXZJBZFF-RBDDCPLMSA-N 448.421 5.831 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OC(=O)Cc3cccc4ccccc34)cc(C)c2C1=O 1871376575 RMGALJKRNSZCHH-YSMPRRRNSA-N 434.491 6.221 30 10 IKEE Cc1cc(OC(=O)CC(C)C)cc2c1C(=O)/C(=C/c1cc(Cl)cc3c1OCOC3)O2 1871386182 ICXGOWKTQYOZDS-UWVJOHFNSA-N 428.868 5.083 30 10 IKEE Cc1c(OC(=O)c2ccc(OC(C)C)cc2)ccc2c1O/C(=C\C=C\c1ccccc1)C2=O 1871387767 AITRPJSHJNQFGU-BDUSHXLBSA-N 440.495 6.174 30 10 IKEE Cc1cc(O)c(CN2CCC(Cc3ccccc3)CC2)c2c1C(=O)/C(=C/c1ccccn1)O2 1871395618 YJAHAJFCANULBN-UQQQWYQISA-N 440.543 5.167 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2Cl)Oc2cc(OCCCc3ccccc3)ccc21 1871399949 XKVDNDXTRMALPY-QRVIBDJDSA-N 425.311 6.621 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCCOc4ccc(C(C)(C)C)cc4)ccc3C2=O)cc1 1871414491 KCLJGKGPSZRKGJ-ONUIUJJFSA-N 444.527 6.067 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1cc(C)c2c(c1)O/C(=C\c1cccc(F)c1)C2=O 1871429820 YZBLUSBRGKLPQH-XUVWKZFSSA-N 440.511 6.031 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OCCC(=O)Nc4ccc(C)cc4)c3C)C2=O)cc1 1871431620 PIOGXQLWXKQITB-JLPGSUDCSA-N 443.499 5.336 30 10 IKEE Cc1cc(C)c(NC(=O)COc2ccc3c(c2C)O/C(=C\c2sccc2C)C3=O)c(C)c1 1871459150 SORFDCPDUDRRST-MTJSOVHGSA-N 447.556 5.924 30 10 IKEE C=CCN([C@H](CC(C)C)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)c(C)c1 1871983773 JZNKNWYLGUVOIQ-XMMPIXPASA-N 442.625 5.150 30 10 IKEE C=CCN([C@@H](C)C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)S(=O)(=O)c1ccc(C)cc1 1872322136 OCGZXWPXPFLESM-FQEVSTJZSA-N 442.625 5.446 30 10 IKEE C=CCN([C@@H](C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)[C@@H](C)CC)S(=O)(=O)C1CC1 1872339502 RRWAFZRGKROXIT-FDDCHVKYSA-N 434.646 5.267 30 10 IKEE COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc(OC)c1OC 1872759837 AVBUPAUCLKOUGZ-IBGZPJMESA-N 448.544 5.205 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(OC)c(OC)c3)n2)cc1 1872768001 HIDBKRCXZARLIG-RXERPNITSA-N 434.517 5.116 30 10 IKEE COc1ccc(C)cc1-c1csc([C@@H](C#N)C(=O)CCCOc2ccccc2Cl)n1 1872771249 PIAUXNUUNMFHLW-KRWDZBQOSA-N 440.952 5.816 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)c2c(F)cccc2Cl)n1 1872777046 DYZXNYIKUJRHCO-OAHLLOKOSA-N 442.943 6.399 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)N(CCCC)CCCCCC)n2CCC 1873549682 VRQHMIWQORTUDP-UHFFFAOYSA-N 439.648 5.842 30 10 IKEE CCCCCCCCCCNC(=O)c1cc2c(N(C)CCCC)ncnc2n1CCCC 1873584606 YMNIRJKOJZHELW-UHFFFAOYSA-N 443.680 6.338 30 10 IKEE CCCCCCCCNC(=O)c1cc2c(N(C)CCCC)ncnc2n1Cc1ccco1 1873596763 LMXBJVCMOKFGSY-UHFFFAOYSA-N 439.604 5.399 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1cccs1 1874202925 WACMJYPNYLQPQD-ZMOGYAJESA-N 440.638 6.075 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3[N+](=O)[O-])n2/N=C/c2cccs2)cc1 1874296147 MLQMVJRCHKUYJB-OEAKJJBVSA-N 449.561 5.322 30 10 IKEE COc1cccc(CCc2nnc(SCc3cccc(C)c3)n2/N=C/c2cccs2)c1 1874309784 NKOOSXQULSXIOC-PCLIKHOPSA-N 448.617 5.616 30 10 IKEE Cc1cccc(OCc2nnc(SCc3ccccc3F)n2/N=C/c2ccccn2)c1C 1874323420 OOQGOLQOXFLGKZ-MZJWZYIUSA-N 447.539 5.183 30 10 IKEE Cc1ccccc1CSc1nnc(CCOc2ccccc2)n1/N=C/c1sccc1C 1874344843 HZOUQGLTIFYBIP-PCLIKHOPSA-N 448.617 5.752 30 10 IKEE Fc1ccc(/C=N/n2c(CCOc3ccccc3)nnc2SCCc2ccccc2)cc1 1874346291 HELWNVVMLPLOSX-ZXVVBBHZSA-N 446.551 5.256 30 10 IKEE CCCOc1c(/C=N/n2c(SCCC)nnc2-c2ccccc2Cl)cccc1OC 1874368180 YZKREJNEXMIFDB-BUVRLJJBSA-N 444.988 5.780 30 10 IKEE Cc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SCC(=O)Nc2cccc(C)c2C)c1 1874436436 AQFMNPVHRQBRHW-CVKSISIWSA-N 449.624 5.405 30 10 IKEE Cn1cc(/C=N/n2c(SCCc3ccccc3)nnc2C2CCCC2)c2ccccc21 1874455804 LSFLYTWOOOQMDL-YZSQISJMSA-N 429.593 5.644 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1cccc(OC)c1O 1874478720 OHSOKOFNLUMGFY-YDZHTSKRSA-N 430.961 5.163 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CC3)n2/N=C/c2ccc(Br)cc2)c1 1874519769 KYOKOHOAWQUYJP-FSJBWODESA-N 441.398 5.709 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CC2)cc1OC 1874520385 KLSZBTOLEGSEFO-FSJBWODESA-N 428.945 5.001 30 10 IKEE Cc1nnc(SCc2ccccc2F)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874531363 FWCSQQQPPDZQKN-CVKSISIWSA-N 432.524 5.479 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(S)nnc1COc1cc(Cl)ccc1Cl 1874570486 UYCAHGVBHYUOSU-LSHDLFTRSA-N 437.352 5.122 30 10 IKEE CCc1ccc(NC(=O)COc2ccccc2/C=C/C(=O)c2cc(C)ccc2OC)cc1 1874581226 CHJAKZOPQOHSMW-NTCAYCPXSA-N 429.516 5.480 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)c1ccc2c(c1)OCO2 1874582783 HEBZILYLKMHCMN-QPJJXVBHSA-N 427.283 6.197 30 10 IKEE CCN(CC)C(=O)COc1c(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Cl)cc1OC 1874583757 FAFQWHVIFVFNKB-OUKQBFOZSA-N 443.971 5.615 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc([N+](=O)[O-])c1OCc1ccccc1 1874606982 QBKUSDPFPWIORR-ZRDIBKRKSA-N 447.487 5.786 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 1874609188 CLMRWGQGDHMCLN-NTEUORMPSA-N 447.487 5.786 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(OC)cc3)cc2Cl)cc1 1874609422 QHRRKRSIITVIIO-MKMNVTDBSA-N 449.934 5.825 30 10 IKEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1Cl 1874609901 QKMCJANGSLGXCI-SOFGYWHQSA-N 437.717 5.331 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1cccc(Cl)c1 1874612422 UMDQGHZOSRDOED-UXBLZVDNSA-N 428.271 6.377 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OCc3cccc(C)c3)c(OC)c2)cc1F 1874621615 MDXGPMBCTXZVLZ-VQHVLOKHSA-N 440.898 6.280 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c(C)c1 1874633968 DVJORBZQQWSXOK-YRNVUSSQSA-N 425.355 7.394 30 10 IKEE O=C(COCc1ccccc1)Oc1cccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c1 1874693405 DEYAMBWEOOLUTD-DTQAZKPQSA-N 426.512 5.584 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC(=O)Cc2ccc(C)cc2)c1 1874709205 AKOSYRYFYFMLQU-FYWRMAATSA-N 442.555 6.345 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc3ccccc3c2)CSc2nnc(C3CC3)n21 1874848432 JVCHKBDRUOOXKW-QHCPKHFHSA-N 448.636 6.371 30 10 IKEE Cc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)cc2[N+](=O)[O-])c1 1875097590 SRAKKJRTCQODMH-UKTHLTGXSA-N 441.483 5.897 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3C)cc2)cc1OC 1875099220 WVDNAJIFOVLQTH-XNTDXEJSSA-N 430.500 5.447 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cncc(C)c3)c(OC)c2)cc1 1875107668 CRFMCGHUZKGZNR-UKTHLTGXSA-N 429.516 5.857 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)Cc1ccc(C)cc1 1875116021 HDMDOSKFMJADDE-RIYZIHGNSA-N 445.471 5.346 30 10 IKEE O=C(Cc1ccc(Cl)c(Cl)c1)Oc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1 1875123702 ZRZBEPMOENRMSH-YRNVUSSQSA-N 445.729 6.691 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc([N+](=O)[O-])c1OC(=O)c1ccccn1 1875140334 AVKHBQZVRQSVAG-ZHACJKMWSA-N 446.459 5.121 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)Cc1ccccc1 1875149571 XEVOFUAKLMTCIW-GZTJUZNOSA-N 442.555 6.427 30 10 IKEE Cc1cc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc4ccccc34)cc2)ccc1[N+](=O)[O-] 1875154332 ZGVGVIVNTPLYLL-LFIBNONCSA-N 437.451 6.172 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)C(C)C)c(Br)c2)c(C)c1C 1875166903 KOHPEPBVSLRZLX-RMKNXTFCSA-N 431.326 5.532 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)c3ccccc3)c(OC)c2)cc1C 1875191378 JASBCNJWBJRMQM-VSFZPWCASA-N 444.527 5.926 30 10 IKEE O=C(C=C1CCCCC1)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875653182 WQZNLHNXCDUTHL-LJAQVGFWSA-N 442.555 6.338 30 10 IKEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)Nc2ccc(C3CCC3)cc2)CC1 1890625303 WLTIPTPYIRTNQS-UHFFFAOYSA-N 432.549 5.397 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(F)ccc1Br 1898381515 XRKKRKDFMBVZDS-MSOLQXFVSA-N 429.374 5.488 30 10 IKEE CCCN[C@H](C#Cc1nccs1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 1900754497 OZSWCEIRRGGWFL-NRFANRHFSA-N 427.614 5.080 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)NCCC 1922086683 RYSKKUWCUAQMHL-ZODMCCGTSA-N 444.660 5.801 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1cccc(NC(=O)OC(C)(C)C)c1F 1922092875 XADQKCFWSSBHLI-HSZRJFAPSA-N 428.548 5.986 30 10 IKEE CC1(C)CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCC2)[C@@H](CNC(=O)OC(C)(C)C)C1 1927164753 IZDSCDGGLWXVLH-MZNJEOGPSA-N 435.609 5.389 30 10 IKEE C#Cc1ccccc1[C@@H]1[C@@H](C(=O)O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21 1952944451 UUIZYCKQCYZCNV-AZGAKELHSA-N 437.495 5.065 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CN(C(=O)OC(C)(C)C)C2(CCC2)C1 2001525474 GBNHPTXTGZJUKI-GOTSBHOMSA-N 428.617 5.307 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C)NCCC 2013393863 LOAPTLVXVYAJCC-XPWALMASSA-N 430.633 5.457 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@](C)(NC(=O)OC(C)(C)C)C1CCCC1 2024529704 MYGWBIKLUNJROP-ZEQKJWHPSA-N 430.633 5.601 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CN(C(=O)OC(C)(C)C)C2(CCC2)C1 2038092029 KYUNHDPORQNXFP-RUZDIDTESA-N 441.572 5.562 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1scc(Br)c1C 2041206709 OLLMWWVUGOWJOW-HOTGVXAUSA-N 429.424 5.166 30 10 IKEE C=C(CO)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@@H](O)CC[C@@]34C)[C@H]12 2054325756 ZNUAKACHFYTNFX-STIYEXJSSA-N 442.728 6.997 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@H]2C(C)C)c1 2067955113 KZWOAEMGTZSNGI-CPJSRVTESA-N 443.588 5.664 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)[C@@H]1C1CC1 2067978213 CACRAWOJWJZKGI-YADARESESA-N 445.535 5.249 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1 2070602307 FQEJURZQWIJHKQ-DFBJGRDBSA-N 443.588 5.666 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccccc1 2072717440 CGVSZIZFBYLJAS-HXUWFJFHSA-N 442.353 5.608 30 10 IKEE CC(C)(C)OC(=O)NC[C@@](C#N)(c1ccccc1)N(C(=O)OC(C)(C)C)c1ccccc1 2076789735 CQLUCODRZJNDBP-VWLOTQADSA-N 437.540 5.372 30 10 IKEE CC(C)[C@H](c1ccc(C2CC2)cc1)n1nc(C(F)(F)F)c(/C=N/O)c1Br 2079083238 XLPZJIVTQAGAPA-MJGXDETHSA-N 430.268 5.595 30 10 IKEE CC(C)[C@@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)(F)F)c(N)c1Br 2079848108 CSUNRFAYSVMUAH-NSHDSACASA-N 448.180 5.650 30 10 IKEE CC1([C@H](c2ccc(C(F)(F)F)c(F)c2)n2nc(C(F)F)c(C=NO)c2Cl)CC1 2079863155 RGWGIKAPAQEROC-ZDUSSCGKSA-N 425.760 5.830 30 10 IKEE Fc1ccc(C(F)(F)F)cc1-c1c(C(F)(F)F)nn([C@H]2CCOC2)c1Br 2080875217 GNLNKDICZCKBLQ-QMMMGPOBSA-N 447.148 5.451 30 10 IKEE C=CCCCCCC[C@@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 2085841764 KMUPPIYXEQPZGC-DQEYMECFSA-N 446.676 6.381 30 10 IKEE C=C([C@H](NCCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1)C(C)(C)C 2096630118 FGCJZAIQKSIAKW-SFHVURJKSA-N 425.411 6.439 30 10 IKEE C=CCC1([C@@H](Cc2cccc(C)c2Br)NCC)CN(C(=O)OC(C)(C)C)C1 2144190670 SZXDREMGEFUFTF-GOSISDBHSA-N 437.422 5.091 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)C1(C#N)CCCCCCCCC1 2153453545 AWGQJPZITHPYNS-UHFFFAOYSA-N 435.406 6.977 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](Cc2cc(Br)ccc2C)NCC)C1 2183006959 UUDZGBAEXYOPCH-LJQANCHMSA-N 437.422 5.139 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCC[C@@H]2CCCC[C@H]21 2201124353 SMZYTSXMCCVMQG-JKSBSHDWSA-N 433.390 6.443 30 10 IKEE C=CCCCCCCC[C@H](O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2220098607 XHNJMMUFLSQQRD-IGKIAQTJSA-N 445.644 6.108 30 10 IKEE C=CCCCC[C@H](NC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229132642 VUEPTJDMHYYRQA-OALUTQOASA-N 425.411 5.219 30 10 IKEE C=CCCCCCCC[C@@H](NC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2235532212 IAIOOTWMEUNKCG-HXUWFJFHSA-N 439.438 6.973 30 10 IKEE CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)[C@@H](O)C#Cc1ccccc1Br 2235731362 LTPGYOMTSDEMMR-UXHICEINSA-N 436.390 5.025 30 10 IKEE CC[C@@H](CCNC(=O)OC(C)(C)C)CC[C@@H](C#Cc1ccccc1Br)NC 2235731608 QTFDSWVYCBNSEC-MJGOQNOKSA-N 437.422 5.110 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)cc1OC 2239668946 LNSKZACOOYUJGR-PKOBYXMFSA-N 441.410 5.358 30 10 IKEE Cc1ccc(Cl)c([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)c1 2268109683 LPRVTLWKGCJQBY-SFHVURJKSA-N 435.749 6.417 30 10 IKEE C=CC[C@]1(COc2nc(C)ccc2Br)CCCN(C(=O)OC(C)(C)C)C1 2272228872 LYEDYPLLYGNCCI-FQEVSTJZSA-N 425.367 5.125 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)c1cc(Br)cc(C(C)(C)C)c1 2273001607 SINWFJHRCBKJAF-MSOLQXFVSA-N 425.411 5.606 30 10 IKEE C=CCCCC[C@@H](NCC)[C@@](C)(O)c1cc(Br)c(Br)s1 2281283833 VMQLBXPUYNRBHY-IUODEOHRSA-N 425.230 5.205 30 10 IKEE O=C1NC(=Nc2ccc(F)cc2)SC1=Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 2294010763 IXXQAWYPQGUEBB-UHFFFAOYSA-N 443.843 5.539 30 10 IKEE Cc1ccc(N=C2NC(=O)C(=Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)S2)cc1C 2294193523 XNOKXFABQVUTMD-UHFFFAOYSA-N 436.537 5.094 30 10 IKEE O=C1C(=CC(=O)c2ccc(Br)cc2)NC(c2ccccc2)=C1c1ccccc1 2295934383 OAWZWXUFVBUOMH-UHFFFAOYSA-N 430.301 5.257 30 10 IKEE Cc1cc(Cl)cc(C(=O)C#Cc2cccc(Br)c2)c1NC(=O)OC(C)(C)C 2296224823 OIROYEQUWZYVMA-UHFFFAOYSA-N 448.744 5.992 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)C[C@@H](CC)CNC(=O)OC(C)(C)C 2296298681 MQSGTWPYONQHFA-XLIONFOSSA-N 437.422 5.110 30 10 IKEE Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1Cl 2296323484 GRDAQYUSBOMGDQ-OAQYLSRUSA-N 438.310 5.928 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)C(=C(O)c4ccccc4)[C@H]3c3ccc(C)o3)sc2c1 2296606586 VMMJRYHVAXCGIV-OAQYLSRUSA-N 444.512 5.386 30 10 IKEE COc1cc(OC)c(OC)cc1C=C1Oc2cc(OCc3ccc(C)cc3)ccc2C1=O 2296844819 KHOSNNIXTTXMDZ-UHFFFAOYSA-N 432.472 5.216 30 10 IKEE O=C(C=Cc1ccccc1OC(=O)c1ccccc1Cl)c1ccc(Br)cc1 2314429601 KQSVMBWQSIQWBR-UHFFFAOYSA-N 441.708 6.218 30 10 IKEE CCOc1ccc2c(c1)OC(=Cc1ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc1)C2=O 2314527243 LULFBZDLVYTAOI-UHFFFAOYSA-N 442.511 6.218 30 10 IKEE CCOc1cc(C=C2SC(=Nc3cccc(C)n3)N(C3CCCCC3)C2=O)ccc1O 2314540434 PZHYSEULPMCPML-UHFFFAOYSA-N 437.565 5.431 30 10 IKEE Cc1csc(N=C2SC(=Cc3ccc(Br)o3)C(=O)N2c2ccccc2)n1 2314544356 ZJHDXSNJWJNKNB-UHFFFAOYSA-N 446.351 5.616 30 10 IKEE CCCOc1c(Cl)cc(C=NNc2nc(-c3ccc(C)c(C)c3)cs2)cc1OCC 2318417754 FAKMGIYCZKMKDM-UHFFFAOYSA-N 444.000 6.714 30 10 IKEE CCC(CC)(CS)COCc1cc(I)ccc1Br 2319154838 VSBIRTCZPLQCCG-UHFFFAOYSA-N 443.188 5.307 30 10 IKEE COc1ccc(C=C2Oc3c(ccc4c3CN([C@H](C)c3ccc(OC)cc3)CO4)C2=O)cc1 2322238767 JMXSGSGVXFIZKH-QGZVFWFLSA-N 443.499 5.233 30 10 IKEE CCCCC[C@H](CC)N1COc2c(cc3c(c2C)OC(=Cc2sccc2C)C3=O)C1 2322356832 UFOHUOUBNHLYJL-IBGZPJMESA-N 425.594 6.492 30 10 IKEE CCCCCCN1COc2c(cc3c(c2C)OC(=Cc2cc(OC)ccc2OC)C3=O)C1 2322362608 AZCODEPHBIAXSJ-UHFFFAOYSA-N 437.536 5.361 30 10 IKEE O=C(C=Cc1cc(Br)ccc1OCCCO)c1ccc(Cl)cc1Cl 2322381389 GZJOXAMCEWFMQJ-UHFFFAOYSA-N 430.125 5.413 30 10 IKEE O=C(C=Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccccc1Cl 2322436562 QPVKQNKYGZUIJG-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccccc1OCC(=O)Nc1ccccc1 2322769052 XNLUQJYBDYBWDK-UHFFFAOYSA-N 443.543 5.906 30 10 IKEE COc1ccc(NN=Cc2cc(Br)c(OC)c(Br)c2)cc1Cl 2322926478 AMZBDKADBYOACV-UHFFFAOYSA-N 448.542 5.328 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)C=Cc4ccc(F)cc4)cc(C)c3C2=O)cc1 2323044161 BFQBRQJJYFKRFJ-UHFFFAOYSA-N 430.431 5.378 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC)c(OC)c2OC)cc1OCc1ccc(C)cc1 2323340903 DEMWSAJFQAPTOT-UHFFFAOYSA-N 448.515 5.505 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)Cc3cc(Cl)ccc3Cl)ccc2C1=O 2323404090 UGNRZEDUFPRILH-UHFFFAOYSA-N 439.294 6.066 30 10 IKEE Cc1cc(OC(=O)Cc2cc(Cl)ccc2Cl)cc2c1C(=O)C(=Cc1cccs1)O2 2323404292 SLQVZEWGFBGSSN-UHFFFAOYSA-N 445.323 6.128 30 10 IKEE Cc1c(OC(=O)CC2CCCCC2)ccc2c1OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2323486173 UPPUEDBOZMXDMB-UHFFFAOYSA-N 445.342 6.794 30 10 IKEE COc1cc(C=Nn2c(S)nnc2-c2ccccc2)ccc1OCc1cc(C)ccc1C 2323512423 OPWNOLGOEGZBDW-UHFFFAOYSA-N 444.560 5.320 30 10 IKEE CCOc1ccc(C=NNc2nc(-c3ccc(C)cc3C)cs2)cc1Br 2323865525 OHQOZSZRDVSQHW-UHFFFAOYSA-N 430.371 6.034 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OCC(=O)OCc4ccccc4)c3C)C2=O)cc1 2324233720 OYNBWLUBOBFNFZ-UHFFFAOYSA-N 428.484 5.296 30 10 IKEE COc1ccc(C=C2Oc3cc(OCCCc4ccccc4)ccc3C2=O)c(OC)c1OC 2324265995 MTELONMPZHSEQR-UHFFFAOYSA-N 446.499 5.340 30 10 IKEE CCc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3cc(OC)c(OC)c(OC)c3)n2)cc1 2324378603 MMLXEXIATGJNKC-LJQANCHMSA-N 448.544 5.288 30 10 IKEE N#C[C@@H](C(=O)C=Cc1ccc(Cl)cc1Cl)c1nc(-c2ccccc2Cl)cs1 2324425565 NVWIBBUQMBXILX-HNNXBMFYSA-N 433.747 6.660 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1ccncc1)C2=O 2324515856 SRYSFQIDNFXIGD-MRXNPFEDSA-N 448.906 5.374 30 10 IKEE Clc1ccc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccncc2)cc1 2325461672 HAKNNMFGZLYYLP-UHFFFAOYSA-N 433.968 5.286 30 10 IKEE CCCOc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(F)c(C)c3)c2)cc1 2325741864 MQWNHJPHUMUSIS-UHFFFAOYSA-N 432.491 5.967 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1OC(=O)c1ccc(Cl)cc1 2325745824 GGCHSXMABFSROV-UHFFFAOYSA-N 448.946 6.761 30 10 IKEE CCCCC1CCC(C(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)OCO4)c2)CC1 2325747491 OIOCUCGUYFNOCB-UHFFFAOYSA-N 434.532 6.213 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2cccc(C=CC(=O)c3ccc(C(C)C)cc3)c2)c1 2325750772 BJMZRJMKISDKAE-UHFFFAOYSA-N 442.555 6.779 30 10 IKEE Cc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(Oc4ccccc4)cc3)c2)cc1C 2325754885 WWKYWSJUXRAEJH-UHFFFAOYSA-N 448.518 7.211 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)C(c3ccccc3)c3ccccc3)c2)cc1C 2325760422 LBDLWILOWYUBEI-UHFFFAOYSA-N 446.546 6.937 30 10 IKEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C[C@H]1CC(C)C 2326269612 BUXVPPGABCTPOF-GJZUVCINSA-N 444.616 5.191 30 10 IKEE CCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1ccc(OC(C)=O)cc1 2326324040 LQNNLNYQYMPEHY-UHFFFAOYSA-N 436.581 5.238 30 10 IKEE CCc1nnc(SCc2ccc(C(=O)OC)cc2)n1N=Cc1cccc(Cl)c1Cl 2326793736 PTBTZUJBSQCAQK-UHFFFAOYSA-N 449.363 5.108 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccc(Cl)cc3)n2N=Cc2ccc[nH]2)c1 2327527097 FHCIJPHQHWIUOY-UHFFFAOYSA-N 437.956 5.322 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1cc(Cl)ccc1O 2328056372 JKSZPWDGBOZJRN-UHFFFAOYSA-N 447.391 5.626 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1ccc(C(C)C)cc1 2328791899 OMDCIVIIRGYRFO-UHFFFAOYSA-N 434.609 6.148 30 10 IKEE CCCCCCCCCOc1ccc(C=NN=c2ccc3nnc(C)n3[nH]2)c(Cl)c1 2328809267 UXMDERLVTLUVIT-UHFFFAOYSA-N 428.968 5.083 30 10 IKEE Cc1ccccc1C=Nn1c(SCC(=O)OCC(C)C)nnc1-c1ccccc1Cl 2329610764 JQYMWXPPGFDWEW-UHFFFAOYSA-N 442.972 5.080 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2cccc(Cl)c2)cc1 2329995150 GZRYQVVAGVOLJZ-UHFFFAOYSA-N 432.980 6.005 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2N=Cc2ccccn2)cc1 2330032800 BSQZRDRHYRDBHF-UHFFFAOYSA-N 433.968 5.400 30 10 IKEE CSc1nnc(CCc2ccccc2)n1N=Cc1cccc(OCc2ccccc2)c1 2330152998 KWWODGRJJZEKLM-UHFFFAOYSA-N 428.561 5.246 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)C=Cc1ccc(C)cc1 2330306716 RHDUFPYCXXNRDR-HSZRJFAPSA-N 432.674 5.503 30 10 IKEE C(=Nn1c(SCCc2ccccc2)nnc1-c1cccs1)c1c[nH]c2ccccc12 2330584152 JSDBDAZMCWNFJU-UHFFFAOYSA-N 429.574 5.705 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(OC)c2)ccc1OC(=O)Cc1ccccc1 2330730284 MWQSYOKRDWJXML-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE CC(C)(C)Cc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1cccnc1 2330857253 FYXBHNPINCSFRU-UHFFFAOYSA-N 434.396 5.743 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2)ccc1OC(=O)CCCSC 2330874663 QZAHGYWNIHWADV-UHFFFAOYSA-N 428.550 5.347 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CSc3ccccc3)c([N+](=O)[O-])c2)cc1 2330971252 KZPUKSAIYDKLJO-UHFFFAOYSA-N 449.484 5.197 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccc(OCC)c(OC)c1 2331326510 COJLYWSOXTZJBH-UHFFFAOYSA-N 438.597 5.511 30 10 IKEE COc1ccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C(C)(C)C)cc1 2331400599 ACUGYPWZMLARPY-UHFFFAOYSA-N 449.407 6.066 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OC(=O)c1ccc(F)cc1 2331484447 OJWCYGNISKKUEG-UHFFFAOYSA-N 426.443 6.103 30 10 IKEE Clc1cccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CCC2)c1 2331535279 CWBOUCPLEHYIMZ-UHFFFAOYSA-N 432.980 6.527 30 10 IKEE Cc1ccsc1C(=O)Oc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] 2331562587 VFLYMVRNHQYGAV-UHFFFAOYSA-N 429.400 5.358 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)C(F)(F)F)c(Cl)c2)cc1C(C)C 2331575302 MVNMDTUPJMWSBT-UHFFFAOYSA-N 440.845 6.144 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2[N+](=O)[O-])cc1 2331707202 VCOHJFCQUAHQHM-UHFFFAOYSA-N 445.471 5.726 30 10 IKEE N#Cc1ccc(Nc2ccc(Cl)c(Br)c2Cl)c(F)c1Br 2362102858 SWOIOGWODLTYHE-UHFFFAOYSA-N 438.909 6.273 30 10 IKEE CC1(C)OB(c2ccc(Nc3cccc(Cl)c3Br)c(C#N)c2)OC1(C)C 2364924551 XHXOZGMKGPDFMY-UHFFFAOYSA-N 433.542 5.017 30 10 IKEE C=CCOc1ccc(/C=C2/SC(=S)N(c3ccccc3Br)C2=O)cc1 1786095 TXJFSAFYZUTJFZ-SFQUDFHCSA-N 432.364 5.420 30 10 IKEE Cc1ccc(/N=C2\NC(=O)[C@H](CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)S2)cc1 15231742 QSEKLFOSVHHGNQ-HNNXBMFYSA-N 442.755 5.203 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCc4c(F)c(F)c(F)c(F)c4F)ccc3C2=O)cc1 33367753 GUCBRZFRNANNBG-NVMNQCDNSA-N 446.371 6.140 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc3C2=O)cc1 33812295 SRNBESRPWCDOBQ-FMCGGJTJSA-N 429.428 5.554 30 10 IKEE C=CCOc1ccc(/C=C2\S/C(=N/c3cccc(C)n3)N(c3ccccc3)C2=O)cc1 39863568 GZJSRGLVJGYTHH-VDQWIUFOSA-N 427.529 5.763 30 10 IKEE CC/C(C)=N/Nc1nc2cc(C)c(NC(=O)c3ccc(Br)cc3)c(C)c2s1 78397728 HHZSASAPTSJLHP-WYMPLXKRSA-N 445.386 6.126 30 10 IKEE COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/S/C(=N/c3cc(C)cc(C)c3)NC2=O)o1 83319206 SMHWPACAFLPRGV-CIAFOILYSA-N 449.488 5.372 30 10 IKEE COC(=O)c1ccc(COc2ccc(/C=C(\C(=O)c3ccccc3)c3ncc[nH]3)cc2)cc1 96935747 JMEULNOCEIVDFG-JJIBRWJFSA-N 438.483 5.199 30 10 IKEE CCCCCCCOc1cccc(NCC(=O)Nc2ccc(C(=O)OCCC)cc2)c1 100089707 QBYMCJQBMWASSH-UHFFFAOYSA-N 426.557 5.653 30 10 IKEE CCCCCCCC(=O)NC(=S)Nc1ccccc1C(=O)N(C)Cc1ccccc1 100170740 LPEZJDXBNCRMMU-UHFFFAOYSA-N 425.598 5.132 30 10 IKEE CCCCCCCCCCCCOc1ccc(C(=O)Oc2ccc(C=O)c(O)c2)cc1F 101005645 ZEKGKVLCWPHTQO-UHFFFAOYSA-N 444.543 6.863 30 10 IKEE O=C1/C(=C/c2cccc([N+](=O)[O-])c2)S/C(=N/c2ccncc2Cl)N1c1ccccc1 101127712 GQYQVKVLSIUUAH-FAXOLUSMSA-N 436.880 5.452 30 10 IKEE COCCCn1c(O)c(/N=N/c2ccc(/N=N\c3ccccc3)cc2)c(C)c(C#N)c1=O 101146211 NEEMXRRYIGHWRO-LYJPHZJBSA-N 430.468 5.601 30 10 IKEE N#Cc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 115383710 XVATVFQNEFDXDO-UHFFFAOYSA-N 431.344 5.256 30 10 IKEE CCCCCCCCCCC[C@@H](O)c1cc(Br)c(Br)s1 128279600 HVORLYCOANDRDO-CQSZACIVSA-N 426.258 7.227 30 10 IKEE CCOc1cc([C@@H]2NC(=S)N(C)C(C)=C2C(=O)c2ccccc2)cc(Cl)c1OCC 169935347 JSKDCPSLAKFUIG-FQEVSTJZSA-N 444.984 5.155 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(Oc3cc(C)ccc3C)cc2)NC(=S)N1 169937889 DUNIAMIUOGQFDP-DEOSSOPVSA-N 428.557 5.771 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(OCc3ccccc3)c(Cl)c2)NC(=S)N1 169938426 XYHRKGFSALYMHM-QHCPKHFHSA-N 448.975 5.595 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3cccc(OC)c3)cs2)cc(Br)c1O 169940173 DJAACWNZAWBAFW-FBHDLOMBSA-N 448.342 5.132 30 10 IKEE Cc1ccc(-c2csc(N/N=C\c3ccc(OCc4ccccc4)c(Cl)c3)n2)cc1 169942139 FQJDETRJQGXJSN-WGARJPEWSA-N 433.964 6.797 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccc(O)cc2)cc1C 169961661 HKXIICOKAHLPHI-QFIPXVFZSA-N 433.891 5.445 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(OC(C)C)cc1 169978907 ACYFFISWHQYSGI-JOCHJYFZSA-N 441.955 5.896 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@@H]2c2ccncc2)c1 170021010 RCSNRWIEBCZMDP-RUZDIDTESA-N 434.495 5.635 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccc2F)ccc1F 170072454 IYRPBOBNMGKSAA-QFIPXVFZSA-N 437.417 5.191 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1OC 170125762 DKPUGPMQFBLWCI-DEOSSOPVSA-N 429.516 5.617 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2c2ccccc2)c1 170141795 ZWQJWCYGYVIOIT-RUZDIDTESA-N 441.527 5.874 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)c1 170159671 XVLNXAPLTBWIAD-HXUWFJFHSA-N 439.920 5.501 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2cccs2)c(C)c1 170160706 OESAFSPAIOZZDA-XMMPIXPASA-N 443.568 6.027 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@@H]1c1ccccn1 170175431 RYESHZZSYKSTNG-HSZRJFAPSA-N 442.515 5.107 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccccc2)c1 170221331 JFDDNXCMULIKMG-XMMPIXPASA-N 443.499 5.265 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccccc2)c1 170221380 RIJORIWLPPRMHB-VWLOTQADSA-N 439.511 5.357 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(Cl)cc2)c(OC)c1 170235151 BZDRIVNRWNNQTH-JOCHJYFZSA-N 449.890 5.140 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@H]1c1ccc(C(C)C)cc1 170245994 VQZHMVURODBXAY-XMMPIXPASA-N 433.548 5.513 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(CC)cc2)cc1 170265487 CILKUVUODZHCKS-XMMPIXPASA-N 427.500 5.431 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(CC)cc1 170268272 OUBWUYDOGJGMAO-RUZDIDTESA-N 427.544 6.171 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccco1)c1cccc2ccccc12 170286621 FWHZEKPCHGGWLK-QFIPXVFZSA-N 429.859 5.869 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)(C)C)c2)[C@@H]1c1ccco1 170294171 GLUYWEDDLXAJRA-NRFANRHFSA-N 425.525 5.354 30 10 IKEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2c[nH]c3ccccc23)cc1 170382991 AMNQPCQEIFFZJJ-QFIPXVFZSA-N 443.528 5.078 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cn(C)c3ccccc23)c1 170394307 VGRIVAOGQVJQIR-QHCPKHFHSA-N 442.540 5.640 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2c(C)[nH]c3ccccc23)cc1C 170404338 RWHHXCVPHUCPCQ-HSZRJFAPSA-N 426.472 5.469 30 10 IKEE CCCOc1ccccc1N1C(=O)C(O)=C(C(=O)C(C)C)[C@H]1c1ccc(C(C)(C)C)cc1 170469821 UTUKRFVUDXDGNV-HSZRJFAPSA-N 435.564 5.898 30 10 IKEE O=[N+]([O-])c1ccc(C(=NNc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c2ccccc2)cc1 254345612 IGZKDHMQLRZTBP-UHFFFAOYSA-N 445.460 5.491 30 10 IKEE COc1ccc(-c2sc(N=Cc3ccc(-c4ccccc4)cc3)c(C#N)c2C)cc1OC 254577383 DPVYRXNZNFJFRP-UHFFFAOYSA-N 438.552 7.030 30 10 IKEE C=C(C)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@]3(C)CC[C@H](O)C(=C)[C@@H]3[C@H](O)C[C@@]21C 257545311 SSBVUUVGCIMTCL-GOFNJIOSSA-N 426.685 6.526 30 10 IKEE biogenic COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(OC)c(Cl)c2)c1 526489046 OSERSDBEDHWILQ-QHCPKHFHSA-N 446.890 5.286 30 10 IKEE CCOc1ccc([C@@H]2C(c3ccc(OC)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526514342 DGLGHEYDDRQRMK-XMMPIXPASA-N 426.472 5.023 30 10 IKEE CCOc1cc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccs2)ccc1OC 526515427 KFFDWSBEZHEGRX-JOCHJYFZSA-N 432.501 5.084 30 10 IKEE CCCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1ccccc1OC 526805242 CQSYCCOJDAYLQL-ONUIUJJFSA-N 436.625 6.101 30 10 IKEE CCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1ccccc1C(F)(F)F 526805690 NLGGAMGKGSRHFE-VYYCAZPPSA-N 446.542 6.331 30 10 IKEE CCCCCOc1ccc(/C=N\n2cnnc2SCc2ccc(C#N)cc2)cc1OCC 526822729 LRWRNIQCAIUMEK-YUMHPJSZSA-N 449.580 5.292 30 10 IKEE CCCCCCCCCCCCC/C=C\[C@H](OCOC)[C@H](COCOC)OC(C)=O 575328907 JOSCSIUPYUMNLZ-SQHNBWCQSA-N 430.626 5.785 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(CC#N)c2ccc(N3CCCCC3)cc2)cc1 586233497 PHHFEHWKARBVEG-UHFFFAOYSA-N 439.625 5.519 30 10 IKEE C=C(C)CN(c1ccc(N2CCC(C)CC2)cc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586253835 XVYAERLXQGMTJK-UHFFFAOYSA-N 440.653 5.992 30 10 IKEE CCCCCCCCCCCC[C@H](N)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 692613356 HJLNZKYGDBUOAT-VWLOTQADSA-N 432.693 7.452 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@H]2CCCCN2C(=O)OC(C)(C)C)c1 698470835 WCNYNGJASFXOAN-CJFMBICVSA-N 443.588 5.808 30 10 IKEE COC(=O)c1c(N=Cc2cc(Br)ccc2O)sc(Cc2ccccc2)c1C 1084032094 DPDJQKGJIOLHRY-UHFFFAOYSA-N 444.350 5.653 30 10 IKEE O=C1C(=Nc2cccc(F)c2)c2ccccc2N1CN(C1CCCCC1)C1CCCCC1 1084599863 MPECQJSEDRSCHL-UHFFFAOYSA-N 433.571 6.218 30 10 IKEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1507913457 YRGAKAHJVNMBQD-UHFFFAOYSA-N 448.596 5.284 30 10 IKEE CCOC(=O)c1sc(NC(=O)C2(Oc3ccccc3C)CCCCC2)c(C#N)c1C 1859736323 WZMMZGZHMPNGIJ-UHFFFAOYSA-N 426.538 5.134 30 10 IKEE CC(C)c1ccc(OCCSc2nc(O)c(C#N)c(-c3ccccc3Cl)n2)cc1 1860825301 YHMLDEQMLKCAMO-UHFFFAOYSA-N 425.941 5.669 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2cccc3ccccc23)n(-c2cccc(Cl)c2)n1 1862371354 SYONPIZHBPABMO-UHFFFAOYSA-N 427.935 6.160 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CCC(C)C)cc1 1862385396 OIPIDRWIDIUOAX-NRFANRHFSA-N 446.374 6.180 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccccc2[N+](=O)[O-])cc1 1862392567 ANKQUMGYCBPGCR-QFIPXVFZSA-N 436.508 5.172 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2cc(Cl)cc(Cl)c2)cc1C 1862408849 WFLJEXXRBJSMTQ-LJQANCHMSA-N 432.303 5.051 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(C(F)(F)F)cc1 1862416041 JYVXCOBZFRBORP-BBATYDOGSA-N 439.380 5.360 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(N(CC)CC)cc1 1862422048 VMNMABADGDJYRD-JOCHJYFZSA-N 442.506 5.189 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccccc2C(=O)O)cc1 1862476502 BAEXKMVZRHDHQY-HXOBKFHXSA-N 441.483 5.033 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2cccc(Cl)c2)c1 1862491719 ZINHXQPOJJEGJZ-UUOWRZLLSA-N 445.946 6.296 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2C(C)C)cc1 1862509298 DJJSKBWSZQFQIP-JOCHJYFZSA-N 425.500 5.300 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(OC)c(O)c2)cc1 1862531486 OMANZSQJCOAKKY-DEOSSOPVSA-N 449.547 5.264 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCCc2ccccc2)[C@@H]1c1cccc(F)c1)c1cccc(O)c1 1862590489 JVRWPOIOIWSKCI-XMMPIXPASA-N 445.490 5.133 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccccc1Br 1862624282 JDSMQVZDLNFQPR-IBGZPJMESA-N 442.353 5.345 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccccc2F)cc1 1862661302 CYKDGOXEJKVNDR-RUZDIDTESA-N 443.518 5.770 30 10 IKEE COc1cc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCC(C)C)ccc1O 1862667242 WTEBXJYYIZVSPL-HSZRJFAPSA-N 437.536 5.149 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccc(Cl)cc2)cc1 1862672348 AYIROKYEMJNXRA-HSZRJFAPSA-N 449.909 5.820 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2ccc(C)cc2)c1 1862698452 HVWHHYZKSZDHSW-DEOSSOPVSA-N 427.500 5.091 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@H]2c2cccc(C)c2)c1 1862699569 VZFBINFCLYGIKT-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1CCCCN(C)C 1862712818 AKHSXUPWMUHKJR-RUZDIDTESA-N 442.559 5.068 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2C2CCCCC2)cc1 1862739012 OKUDARCKXHLLQU-HSZRJFAPSA-N 448.519 5.629 30 10 IKEE CC(C)c1ccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862804633 GZCJZCUSLYILMZ-UHFFFAOYSA-N 441.918 5.732 30 10 IKEE N#Cc1ccccc1N1C(=O)C(Nc2ccc(Cl)cc2)=C(c2cccc3ccccc23)C1=O 1862853721 CGDSBLSIZPZDAT-UHFFFAOYSA-N 449.897 5.761 30 10 IKEE CCCOc1ccc(NC2=C(c3ccc(C)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862896291 GVHXAJVJCZSMKU-UHFFFAOYSA-N 437.499 5.052 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3cccc(Cl)c3)C(=O)N(c3ccccc3C#N)C2=O)c1 1863036748 DHYRRCCICAOCPL-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc3nc[nH]c3c2)=C(c2cc(C)ccc2C)C1=O 1863401759 IOBPHVDGGQYSGL-UHFFFAOYSA-N 444.579 5.732 30 10 IKEE CCCC[C@@H](NC(=O)C[C@H](CC(C)C)c1ccc(F)cc1)C(=O)Nc1ccccc1C#N 1867104411 OPPWHAGTTOHHNJ-XUZZJYLKSA-N 437.559 5.531 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)/C=C/c2cccc(Cl)c2)n(-c2ccc(C)cc2)n1 1870001265 WMFHTUFWWJQIER-SDNWHVSQSA-N 433.943 5.059 30 10 IKEE CCCCCCCOc1cn(CCc2ccccc2)c(CSc2nccn2C)cc1=O 1870252457 UQHGBDUEVBNFKF-UHFFFAOYSA-N 439.625 5.466 30 10 IKEE CCCCCCCCCCn1cc(OCCCC)c(=O)cc1CN1CCN(CC)CC1 1870664131 USIVXINCWGEQPP-UHFFFAOYSA-N 433.681 5.305 30 10 IKEE CCCCCCCOc1cn(CCc2cnc[nH]2)c(CNc2ccc3cc[nH]c3c2)cc1=O 1870835968 CSPYBHADWLNQCE-UHFFFAOYSA-N 447.583 5.257 30 10 IKEE C=CCn1cc(OCCCCOc2cccc(C)c2)c(=O)cc1CNc1cccc(C)c1 1871221311 XLHPKFWYBXZMNZ-UHFFFAOYSA-N 432.564 5.501 30 10 IKEE O=C1/C(=C/c2ccco2)Oc2c1ccc1c2CN(Cc2cccc(C(F)(F)F)c2)CO1 1871344994 MVHLZFRGPHCCNR-JMIUGGIZSA-N 427.378 5.267 30 10 IKEE COc1ccc([C@@H](C)N2COc3cc(C)c4c(c3C2)O/C(=C\c2ccc(C)o2)C4=O)cc1 1871354303 MRZUNUDYRMUPCM-NSTHGIQOSA-N 431.488 5.434 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O 1871369044 WOOSQLREXLLWCP-XKZIYDEJSA-N 439.294 6.148 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])cc(C)c2C1=O 1871369327 GAYWZUFVZAPNMA-XKZIYDEJSA-N 445.427 5.137 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)COc4ccccc4OC)cc(C)c3C2=O)cc1 1871370679 YZWGXNYTDVZVGV-OYKKKHCWSA-N 444.483 5.167 30 10 IKEE Cc1c(OC(=O)c2cc(Cl)ccc2Cl)ccc2c1O/C(=C\c1cccs1)C2=O 1871380765 AIHFPJPXXOQOBC-ZDLGFXPLSA-N 431.296 6.199 30 10 IKEE Cc1cccc(OCCOc2ccc3c(c2)O/C(=C\c2c(Cl)cccc2Cl)C3=O)c1 1871405249 BJCWFYHNTFVOIO-UCQKPKSFSA-N 441.310 6.376 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3cc(OCCOc4ccc(Cl)cc4)ccc3C2=O)cc1 1871412903 KXDKRFSWFMGYSK-MYYYXRDXSA-N 434.919 6.537 30 10 IKEE CCOCCOC(=O)CCOc1cc(C)c2c(c1)O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871428662 NEXGUTMYIPTRIA-HAHDFKILSA-N 438.520 5.083 30 10 IKEE Cc1c(OCCN2CCCCC2)ccc2c1O/C(=C\c1ccc(Cl)cc1Cl)C2=O 1871451069 BEILMDLWQKRJRI-BKUYFWCQSA-N 432.347 5.783 30 10 IKEE C=CCNC(=O)c1ccc2nc(-c3ccc(OCc4ccc(F)cc4)c(OCC)c3)[nH]c2c1 1872730471 MWDLVGLBTRLJCU-UHFFFAOYSA-N 445.494 5.263 30 10 IKEE Cc1ccc(C)c(-c2csc([C@@H](C#N)C(=O)/C(=C\c3ccccc3)c3ccccc3)n2)c1 1872771896 FNWCNVXORSMZCF-NHOMFQCRSA-N 434.564 6.844 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)/C=C/c2ccc(C(C)C)cc2)n1 1872785538 PHQSOXWKDXJTQB-FPSGLDNTSA-N 442.628 7.429 30 10 IKEE N#C[C@H](C(=O)Cc1ccc(Br)cc1)c1nc(-c2ccc(Cl)s2)cs1 1872789766 UQBPFTLBFZGVDZ-GFCCVEGCSA-N 437.771 5.706 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCOC)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873084782 LAMUNKJRMLPYCC-UHFFFAOYSA-N 448.607 5.420 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(N3CCCC3)cc2)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873276675 PXJHSHRFLWZADS-UHFFFAOYSA-N 449.554 5.332 30 10 IKEE COc1ccc2ccccc2c1/C=N/Nc1cnn(-c2cccc(Cl)c2)c(=O)c1Cl 1873526365 BDXXPBSHHGXAEE-BRJLIKDPSA-N 439.302 5.147 30 10 IKEE C=CCn1c(C(=O)Nc2cc(C(C)C)cc(C(C)C)c2)cc2c(NCCCCC)ncnc21 1873623117 UVOJSPNXLXUQCH-UHFFFAOYSA-N 447.627 6.719 30 10 IKEE CCCSc1nnc(Cc2ccc(OC)c(OC)c2)n1/N=C/c1c(F)cccc1Cl 1874238489 AJNKPOTZXCZDPF-ZMOGYAJESA-N 448.951 5.063 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CCc3ccc(Cl)cc3)nnc2SCC)cc1 1874283238 XADYBPQIYQXWQD-KOEQRZSOSA-N 443.016 5.890 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2OC)n1/N=C/c1ccc(Cl)cc1 1874314433 SVPKTYAGBOGKPW-ZVHZXABRSA-N 426.973 5.276 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccc(C)c(C)c3)n2/N=C/c2ccncc2)cc1 1874329119 XIAVYFFMIDIDIS-OGLMXYFKSA-N 441.604 5.558 30 10 IKEE Fc1cccc(/C=N/n2c(CCOc3ccccc3)nnc2SCCc2ccccc2)c1 1874346276 GLSSKWINBAXWLK-ZXVVBBHZSA-N 446.551 5.256 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccco1 1874399747 VHQWDEAKMLOGML-VEMGOHLESA-N 438.556 6.351 30 10 IKEE Cc1cccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccccc2F)c1 1874402714 KOQZOBIUHDAYNZ-WPWMEQJKSA-N 430.552 5.685 30 10 IKEE O=[N+]([O-])c1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2-c2ccccc2)cc1 1874427138 SHTRFGHTWDECMD-ZVHZXABRSA-N 433.468 5.167 30 10 IKEE Clc1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2)c(Cl)c1 1874427894 GYSWLLJYHPSAOG-AFUMVMLFSA-N 439.371 6.426 30 10 IKEE CCOc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2cccc(F)c2)cc1 1874437603 JZEHOOUGQXOSEU-MFKUBSTISA-N 426.561 5.579 30 10 IKEE CCSc1nnc([C@@H]2CCCO2)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1874445552 ZNKFJHYAAKRQNE-PGLVWIQMSA-N 442.972 5.356 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(SCc2ccc(F)cc2)nnc1C(F)(F)F 1874458284 FPIHBVSMRLAUCF-OPEKNORGSA-N 438.450 5.398 30 10 IKEE Fc1ccccc1CSc1nnc(C(F)(F)F)n1/N=C/c1ccc(C(F)(F)F)cc1 1874459893 DGJSLZSNFOGTIL-JQAMDZJQSA-N 448.367 5.629 30 10 IKEE FC(F)(F)c1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccncc1 1874462146 OJHJZJMKJDMZJF-LIMNOBDPSA-N 432.258 5.173 30 10 IKEE COCCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1c(OC)ccc2ccccc12 1874469795 XMZKYQKHMOVSLM-WGOQTCKBSA-N 446.576 5.112 30 10 IKEE CC(C)Cc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1cccc([N+](=O)[O-])c1 1874493576 UIARDQYYDUXMED-FOKLQQMPSA-N 447.923 5.352 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(SCc2ccccc2C)nnc1C1CCC1 1874495006 PIUIJEPEAPNPIN-JVWAILMASA-N 442.588 6.190 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1sccc1C 1874511196 OLCIFSGJDWWBIC-UFFVCSGVSA-N 425.410 6.082 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2cccc3ccccc23)c1OCc1ccccc1 1874583347 JQYDEBGPWQRMTA-CCEZHUSRSA-N 428.915 6.977 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OCC(=O)Nc1ccc(C)cc1C 1874595528 QCKZWMYPAKTZTA-DHZHZOJOSA-N 449.934 5.879 30 10 IKEE CCCN(CCC)C(=O)COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC 1874600686 XWYRUFCXUPFXLC-PKNBQFBNSA-N 437.580 5.544 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 1874600984 NBYHGZYJBJYJEQ-RMKNXTFCSA-N 447.745 7.131 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3C)c([N+](=O)[O-])c2)cc1 1874607571 USLIZCAKEQSNHL-FOWTUZBSSA-N 429.516 6.721 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OCC(=O)N(CC)CC 1874617616 LBNYGGZJZHCKQS-WYMLVPIESA-N 435.564 5.184 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OCC(=O)Nc1ccccc1C 1874617841 WEAZJVJVIAETLJ-JLHYYAGUSA-N 429.516 5.534 30 10 IKEE CCCOc1c(Br)cc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc1OCC 1874623771 UJXXVXTTZNKYSQ-SOFGYWHQSA-N 437.305 5.680 30 10 IKEE CCOc1cccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(Cl)c(Cl)c3)c2)c1 1874702761 IHUVRZOMDFNMNU-FMIVXFBMSA-N 441.310 6.507 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1OC(=O)c1ccncc1 1874715709 IDNKWDCOYJGCAK-JXMROGBWSA-N 429.516 5.811 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc(OC)c1OC(=O)c1cccnc1 1875109391 LRSRZAZFKCFTAE-PKNBQFBNSA-N 443.499 5.251 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2OC)cc(OC)c1OC(=O)c1cccc(C)c1 1875119683 HEQKPZQYIIXENN-CCEZHUSRSA-N 442.511 5.856 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)CCCOc3ccccc3)c(Cl)c2)c1 1875139314 CGJLJKZSGFAEMU-WYMLVPIESA-N 448.946 6.618 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3cccc(Cl)c3)c([N+](=O)[O-])c2)c(C)c1 1875183187 OIABNYJGZZPSON-VQHVLOKHSA-N 449.890 6.289 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)COc1ccccc1 1875183750 QTCKTIJJACUVHB-ACCUITESSA-N 444.527 5.891 30 10 IKEE O=C(COc1ccccc1)Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1 1875191367 IUNIBWHGEVCYBE-MDWZMJQESA-N 427.283 5.874 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N1C[C@@H](C)O[C@H](C)C1)n2CCCC 1875212649 NBODAVGOKXSMRB-WOJBJXKFSA-N 443.636 5.253 30 10 IKEE CC(C)CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cccc([C@H](C)C#N)c3)ccc21 1891331360 LATOBAAFERTMGV-GOSISDBHSA-N 433.552 5.364 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1ccc(NC(=O)OC(C)(C)C)c(Cl)c1 1922077295 MHFCKTHZNVMDGB-QHCPKHFHSA-N 445.003 6.501 30 10 IKEE CCC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1931133248 YUHAPJYRGWQJRV-VQTJNVASSA-N 431.577 5.257 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)CC1(C)C 1949560870 LTHVZUFOZRCVBK-DEOSSOPVSA-N 435.609 5.628 30 10 IKEE CCC[C@@H]1CC[C@@H](C#N)[C@@H]([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)C1 1983609770 ZEGISDNGHKYMSK-GMMXXOHYSA-N 446.547 5.334 30 10 IKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@](C)(C#N)c1ccc(CNC(=O)OC(C)(C)C)cc1 2014219265 ZUMPWIXBMKCGPK-MZNJEOGPSA-N 431.577 5.486 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)NCC 2025199177 VTGHOKRUMNQNHL-XWGVYQGASA-N 430.633 5.601 30 10 IKEE N#C[C@@H](NC1CCCCC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071261595 XBNQXAGBCGEQAQ-AREMUKBSSA-N 426.560 6.332 30 10 IKEE COC1CC(C#N)([C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1 2071349832 SORYFBQBUBVSMJ-YJPOWDFOSA-N 429.516 5.197 30 10 IKEE CC(C)[C@@H](c1ccc(C(F)(F)F)cc1)n1nc(C2(C)CC2)c(C=NO)c1Br 2079894444 ZXEDMXVLBRBAAM-HNNXBMFYSA-N 444.295 5.769 30 10 IKEE Oc1cc(-c2c(F)cccc2C(F)(F)F)nc2c(Br)c(C(F)(F)F)nn12 2080879325 XZODBYVTYCENDV-UHFFFAOYSA-N 444.104 5.041 30 10 IKEE N#Cc1ccc(Br)cc1OCc1ccc(Br)cc1Br 2092386083 FVXNNJISNVSPMM-UHFFFAOYSA-N 445.936 5.425 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Br)c(Cl)c1F 2102885779 VUVHIAMMZLAVEM-RHSMWYFYSA-N 447.776 5.199 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Cl)cc(Br)c1 2136655723 BKTUYFCJSLIBIU-ROUUACIJSA-N 443.813 5.450 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)ccc1C 2137760679 HYPBPBWJRXYCRY-RBUKOAKNSA-N 425.411 5.658 30 10 IKEE CCCCCCC[C@H](NCC)[C@@H](O)c1scc(Br)c1Br 2150562455 ASKVGSSQGJAFTJ-GXTWGEPZSA-N 427.246 5.645 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCC2(CCNCC2)C1 2155271466 QLKBJAQYTPLQBQ-OAQYLSRUSA-N 434.378 5.007 30 10 IKEE C=CCN(CCC(=O)Nc1ccc(Br)c2ccccc12)C(=O)OC(C)(C)C 2180995599 MYWHKPGYVAIFNM-UHFFFAOYSA-N 433.346 5.354 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCCC)c2cccc(Br)c2F)C1 2183007040 VPNJMHRFJUAYCJ-SFHVURJKSA-N 441.385 5.490 30 10 IKEE CC(C)(C)OC(=O)NCCCc1cccc(Nc2ccc(Br)cc2C#N)c1 2204097748 UYNHJBMIMAFTCH-UHFFFAOYSA-N 430.346 5.522 30 10 IKEE Nc1cccc(C#Cc2sc(Br)c(Br)c2Br)c1 2216390073 BDXQARWYXPMAIR-UHFFFAOYSA-N 435.966 5.018 30 10 IKEE C=C(Cl)C[C@@H](NCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2221682301 KWNVWJDTJKFNQG-SJORKVTESA-N 431.802 5.006 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1sc(C)c(C)c1Br 2221829248 DQIJVYPPOKFCJU-ZBFHGGJFSA-N 429.424 5.085 30 10 IKEE C=CCCCCCCC[C@H](N)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2227267112 CKGLUFUWHPADPV-SFHVURJKSA-N 425.411 6.713 30 10 IKEE C=C(C)CCCCSC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2241941480 WMVLHPUGZNBGJL-HSZRJFAPSA-N 439.577 5.458 30 10 IKEE C=C(C)CCCC[C@@H](NCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2259232958 HRKVYSCWJXTLFS-XMMPIXPASA-N 443.676 5.661 30 10 IKEE CC(C)(C)OC(=O)NCc1c(Cl)cccc1Nc1ccc(Br)cc1C#N 2268616584 HODIJEMLWTUOSG-UHFFFAOYSA-N 436.737 5.742 30 10 IKEE CCOc1cc(C=C2CCC(=Cc3cc(Cl)c(O)c(OCC)c3)C2=O)cc(Cl)c1O 2297505621 QQAKAVJMPISDNX-UHFFFAOYSA-N 449.330 6.032 30 10 IKEE CON=C(C)[C@@H]1C(=NOC)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2297548843 KLCZPBNZZJGNRW-WUOZFXEFSA-N 432.605 5.212 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@@H]3C[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)c1 2308985881 QCDKBHLHDFTRFC-OFHLLDISSA-N 441.572 5.322 30 10 IKEE C=CCn1c(SCC(=O)OCC=Cc2ccccc2)nnc1-c1ccc(Cl)cc1 2314007132 XZUWTONUILRTSW-UHFFFAOYSA-N 425.941 5.133 30 10 IKEE O=C(C=Cc1ccc(Cl)cc1Cl)c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 2314429864 QNKFQBRNJMOCCT-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1cccc(Cl)c1 2318571021 AJVBRILQHNGTDD-UHFFFAOYSA-N 425.772 5.975 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2318877792 OBLJZVNVNLIQSD-NJYVYQBISA-N 449.636 5.922 30 10 IKEE Fc1ccc(Br)cc1C=Nn1cnnc1SCc1ccccc1Cl 2321286745 UPFKQSUETJQCHD-UHFFFAOYSA-N 425.714 5.008 30 10 IKEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2321344375 JVMAUDNQUWHNSJ-OBWXTZQISA-N 447.551 5.495 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)O3)CN([C@H]1CCCC[C@H]1C)CO2 2322153239 PJLDUADOUXZVQW-QRWLVFNGSA-N 434.492 5.250 30 10 IKEE COc1ccc([C@H](C)N2COc3cc(C)c4c(c3C2)OC(=Cc2ccccc2)C4=O)cc1 2322244716 WMBFHZBJPRGYKB-SFHVURJKSA-N 427.500 5.533 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(ccc(OC(=O)c4cccs4)c3C)C2=O)cc1 2322667670 WVOQALKJSUQJDN-UHFFFAOYSA-N 433.529 5.738 30 10 IKEE C=CCOc1c(OC)ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)c1Br 2323149733 LAXDDOIGGRJAKA-UHFFFAOYSA-N 442.136 6.225 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc(OC(=O)COc3ccc(C)cc3)c2C)C1=O 2323200456 UTZSOZUAUDSCMX-UHFFFAOYSA-N 444.483 5.303 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cccc(OCC(=O)Nc2c(C)cccc2C)c1 2323260300 QVJJTRXIQIVKMN-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)c1 2323485552 XCEKNAGCHYDDNR-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccccc1F 2323688129 NJYGGESNSNGKDG-UHFFFAOYSA-N 447.462 5.946 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)NCc1ccccc1 2323791989 UMYQPHADHFZVPU-UHFFFAOYSA-N 449.934 5.330 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cc(Br)c(OC)c(OC)c1 2324521428 XBNFWLPHBXCNPO-UHFFFAOYSA-N 425.706 5.333 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(Cl)c2)cc(Br)c1OC 2324623552 VYJYNTGHWCDHFJ-UHFFFAOYSA-N 425.706 5.415 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3C)c(Cl)c2)c2ccccc12 2324682896 XOAWWNWGONLZLB-UHFFFAOYSA-N 442.942 7.285 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2cccc(C=CC(=O)c3ccccc3Cl)c2)cc1 2325717696 TXBKYWDBCPSZHQ-UHFFFAOYSA-N 434.919 6.309 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2OC)cc1OC(=O)c1ccc(Cl)cc1 2325742354 DYIHROBOJUULJC-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE CC(C)c1ccc(O[C@H](C)C(=O)Oc2cccc(C=CC(=O)c3ccc(F)cc3)c2)cc1 2325751335 FTSKLLRNDVNPNX-LJQANCHMSA-N 432.491 6.218 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1OC(=O)c1ccccc1F 2325755229 BNCAYIWDDKPINZ-UHFFFAOYSA-N 434.463 5.575 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)c2ccc(F)cc2F)c1 2325764094 KQZUNEGLXFMKDL-UHFFFAOYSA-N 442.845 6.051 30 10 IKEE COc1ccc(Br)cc1C=Nn1c(C)nnc1SCc1ccc(C)cc1C 2326433146 OKVDEBULZQCXGR-UHFFFAOYSA-N 445.386 5.149 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@@H](C#N)[C@]12C[C@H](CCN1C(=O)OC(C)(C)C)C2 2326632419 XXWPNCPZCSYSAG-TVVUZDRGSA-N 445.535 5.249 30 10 IKEE C=CCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1cccc(Cl)c1 2327016678 SMGGSJBXJXIWHT-UHFFFAOYSA-N 426.973 5.412 30 10 IKEE Cc1ccccc1OCCCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc[nH]1 2327071261 DILXODKZEHGFID-UHFFFAOYSA-N 449.555 5.240 30 10 IKEE C=CCSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1cccc2ccccc12 2327383552 VYTGSUSMRLMQPS-UHFFFAOYSA-N 442.588 6.123 30 10 IKEE COc1ccc(Cc2nnc(SCc3cc(C)ccc3C)n2N=Cc2cccn2C)cc1 2329278062 JBOLFYAEVGJIBA-UHFFFAOYSA-N 445.592 5.007 30 10 IKEE C=CCSc1nnc(Cc2ccc(OC)cc2)n1N=Cc1c(Cl)cccc1Cl 2329282945 GGYIPOWHMAVJCA-UHFFFAOYSA-N 433.364 5.345 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(F)c3)n2N=Cc2cccc(O)c2)cc1C 2329405564 JOMWTRLKHKZBSA-UHFFFAOYSA-N 446.551 5.505 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3Cl)n2N=Cc2cccnc2)cc1 2330002205 RJBGQNWRQLEGHF-UHFFFAOYSA-N 433.968 5.400 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccc(F)cc2)n1N=Cc1ccccc1F 2330064103 BOCKVRJUNGFREM-QGZVFWFLSA-N 434.515 5.883 30 10 IKEE Cc1ccc(CSc2nnc(CC3CCCCC3)n2N=Cc2c[nH]c3ccccc23)cc1 2330234454 WUDFZSAYHTVKCM-UHFFFAOYSA-N 443.620 6.365 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(Cl)c1OC(=O)c1cccs1 2330649356 SISCLNXWDLGCNA-UHFFFAOYSA-N 448.927 6.679 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccccc3)nnc2-c2ccccc2)cc1OC 2330671475 WFHZTIBAGUVHTP-UHFFFAOYSA-N 444.560 5.527 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OC(=O)CC1CCCCC1 2330674884 DTJHWOZCTZRHJT-UHFFFAOYSA-N 428.528 6.620 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(-c2ccccc2)n1N=Cc1cccnc1 2330678559 NBGZDZIZGOYPBP-UHFFFAOYSA-N 440.359 5.821 30 10 IKEE Oc1ccccc1C=Nn1c(SCc2cccc3ccccc23)nnc1-c1ccccc1 2330683656 GMHAZMSNKKSQSH-UHFFFAOYSA-N 436.540 5.978 30 10 IKEE Cc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2-c2ccccc2)cc1 2330683785 YGUMOBZHINTQTA-UHFFFAOYSA-N 434.568 6.581 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2-c2ccccc2)cc1 2330701010 VFGBZSZEBPSFHB-UHFFFAOYSA-N 447.007 6.896 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccccc2OC)cc1OCC 2331070827 PRNVSULNAZWBPK-UHFFFAOYSA-N 444.955 6.519 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccnc2)c(Br)c1)c1cccc(Cl)c1 2331123731 MFJZPOAUOAYAAM-UHFFFAOYSA-N 442.696 5.613 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc(Cl)cc1 2331141333 UHBBEPZLQCSUHA-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE Cc1cccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2[N+](=O)[O-])c1C 2331170227 RHUSNXOWAFNQQG-UHFFFAOYSA-N 431.444 5.092 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)COc1ccc(C)cc1C 2331293275 QZUILGRNAJHCQH-UHFFFAOYSA-N 430.500 5.501 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)c1 2331316088 QGUNDTPLNIMCPB-UHFFFAOYSA-N 446.415 5.235 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1N=Cc1cccc(C)c1 2331335818 PPELPROZLYNVOF-UHFFFAOYSA-N 435.597 5.159 30 10 IKEE CC(C)(C)c1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1cccc(O)c1 2331400673 HVDOBMFZTDUVTC-UHFFFAOYSA-N 435.380 5.763 30 10 IKEE COc1cccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C(C)(C)C)c1OC 2331408957 BOJIAMMFDBCSDH-UHFFFAOYSA-N 444.988 5.421 30 10 IKEE CCCSc1nnc(CC(C)C)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2331464190 JEZPKKZWDASESU-UHFFFAOYSA-N 443.016 6.093 30 10 IKEE O=C(Cc1ccccc1[N+](=O)[O-])Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1 2331468676 NAPPBLUQSBALSO-UHFFFAOYSA-N 437.451 5.792 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCc3ccccc3C)nnc2C2CCC2)cc1 2331489212 JAOHUSJOJACXSH-UHFFFAOYSA-N 434.609 6.207 30 10 IKEE COCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1c(OC)ccc2ccccc12 2331577864 CVUSHFXUQAGUKV-UHFFFAOYSA-N 446.576 5.378 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1OCC 2331597165 JPCZEGDVUOESOY-UHFFFAOYSA-N 444.527 6.869 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1ccccn1 2331653694 WVDUZRITFARAAV-UHFFFAOYSA-N 429.516 5.829 30 10 IKEE C[C@H]1CN(Cc2ccccc2)CC[C@H]1Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339582312 QAJCTRJUXVPWRX-HRKNJWBZSA-N 433.405 5.049 30 10 IKEE CCc1cccc(CC)c1NC(=S)N/N=C/c1cccn1Cc1ccccc1Cl 3587268 CJCRMZNXBKATAJ-MFKUBSTISA-N 425.001 5.635 30 10 IKEE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 14092509 JTGAJMYXXPNPHF-UHFFFAOYSA-N 447.391 5.287 30 10 IKEE COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)cc1Cl 21221595 SVLXZWZSESYNRK-MRDQGFSESA-N 448.925 6.467 30 10 IKEE COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)cc1Cl 21221599 SVLXZWZSESYNRK-QUGAMOGWSA-N 448.925 6.467 30 10 IKEE CCn1nc(C)c(CN/C(=N/C(=O)c2cccc(F)c2)Nc2ccc(C(C)C)cc2)c1C 32972094 OORBSUBCGQICRZ-UHFFFAOYSA-N 435.547 5.180 30 10 IKEE CCCn1cc(CN/C(=N/C(=O)c2cccc(C)c2)Nc2cccc(Cl)c2C)c(C)n1 32972848 HUBNXBIKEKCUKW-UHFFFAOYSA-N 437.975 5.270 30 10 IKEE O=C1/C(=C/c2cccc(F)c2)Oc2cc(OCc3ccc(Br)cc3)ccc21 33350497 JQXRVZXLATVIRX-NHDPSOOVSA-N 425.253 5.783 30 10 IKEE CCN1C/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)C1 33686823 SLUYHMQHCNSIMF-DUGOVBPYSA-N 441.185 6.672 30 10 IKEE C=CCOc1ccc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCC)cc1OCC 39910520 RPJBPQTWYAZGEW-HSZRJFAPSA-N 447.531 5.329 30 10 IKEE C=CCc1ccccc1OCCn1c(CCCNC(=O)c2ccccc2)nc2ccccc21 40205768 FHAOPZOWFQWQBW-UHFFFAOYSA-N 439.559 5.206 30 10 IKEE CCOc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN([C@@H](C)c2ccccc2)C4)cc1 41646305 BGHXACIHBXOJLG-QETRNLNESA-N 441.527 5.923 30 10 IKEE O=C(O)c1ccc(COc2ccccc2/C=N/Nc2ccc(Br)cc2)cc1 59166470 RYSFYWZVWYMVRC-YDZHTSKRSA-N 425.282 5.172 30 10 IKEE COc1c(Br)cc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1Br 59506299 PSIOWTCVFHYDDM-ZVBGSRNCSA-N 441.163 6.108 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc3oc(-c4cccc(Cl)c4)nc3c2)c1 62050171 ALXDHUHFYUJYEO-UHFFFAOYSA-N 445.950 7.238 30 10 IKEE C=C(C)COc1ccc(NCC(=O)Nc2ccc(C(=O)N(CC)c3ccccc3)cc2)cc1 66062228 HWAPMRNVRWLZDV-UHFFFAOYSA-N 443.547 5.359 30 10 IKEE CCCCCCCCc1c(C)nn(C(=O)c2cccc(I)c2)c1C 100458979 DFCAFKBKCOSZTM-UHFFFAOYSA-N 438.353 5.696 30 10 IKEE COc1ccc2c(c1)c(/C=C1\Oc3cc(OC(=O)c4ccccc4C)ccc3C1=O)cn2C 103024431 UJMJQPLDIWJCEY-ROTLSHHCSA-N 439.467 5.331 30 10 IKEE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)S/C1=N/c1ccc(C)cc1 103891159 CAUZIJFGNYRKKO-QXOGVRMXSA-N 447.482 5.160 30 10 IKEE CC(=O)/C(=C/c1ccc(Cl)cc1)C(=O)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 108479204 IGJATFBFRDNFAW-QNGOZBTKSA-N 443.886 5.205 30 10 IKEE C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@H]1C/C(=C/c1ccc(C(F)(F)F)cc1)C2=O 118919574 UELTYJDTQILMTO-ATAPDQCJSA-N 446.553 6.671 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\S(=O)(=O)c2cccs2)cc1Cl 169908015 PHZBYKKPKBFBOV-JWGURIENSA-N 428.019 6.339 30 10 IKEE CCN1C(=S)N[C@@H](c2ccc(OC)c(OCc3ccccc3Cl)c2)C(C(C)=O)=C1C 169933345 PBBAFRQALRUICO-QFIPXVFZSA-N 444.984 5.042 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccc(C)cc2)c1 169934639 QSOHOPSZGQCEDC-XMMPIXPASA-N 427.500 5.403 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccc(C)cc2)c1 169934684 OVBDZRAVYLOWCR-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc(C)c2)cc1 169972090 BZLWAVJOQBYRSP-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccs2)c1 169989110 OOQDFKOLOYFEHG-FQEVSTJZSA-N 439.920 5.189 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccccc2)cc1C 170055164 GQKKANAUQZPSPY-XMMPIXPASA-N 429.491 5.264 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1)c1ccc2c(c1)CCO2 170063330 AFSGBAUZMLJYFV-JOCHJYFZSA-N 449.865 5.197 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2ccc(Cl)cc2)=C(N2CCC[C@@H](C)C2)C1=O 170069318 SGLFSRHIWGPOAY-HXUWFJFHSA-N 445.047 6.293 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cn(C)c3ccccc23)cc1 170083900 DAPSPOLMUPPVTK-RUZDIDTESA-N 436.511 5.524 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cc(OC)ccc3Cl)=C(O)C(=O)N2c2ccccc2)cc1 170113580 GKRPOPLFUQWGNK-QFIPXVFZSA-N 449.890 5.140 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1OC 170125014 JSRPJFPAFUIGKX-IBGZPJMESA-N 434.319 5.380 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccc(C)c2)cc1C 170141035 YOXBJOQFRAXJKP-XMMPIXPASA-N 427.500 5.403 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cccs1 170161649 PLHSFWZFTQPOIS-QRQCRPRQSA-N 431.513 5.163 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccncc2)cc1 170199320 FUAKGXKBBGVOPW-QHCPKHFHSA-N 446.478 5.038 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@H]1c1cccc2ccccc12 170220891 HQHVJBSVPWVJHY-XMMPIXPASA-N 427.500 5.153 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2)cc1 170231488 JCOHYSFNYGKMTN-RUZDIDTESA-N 447.575 6.167 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(C(C)C)cc1 170245768 CDVQBICQAMGAJP-XMMPIXPASA-N 449.547 5.350 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccc(O)c2)c1 170259103 KFSGIDCMOVFUPA-XMMPIXPASA-N 443.499 5.210 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1Cc1ccco1 170274055 GEGPUOHMEOJHMQ-DEOSSOPVSA-N 427.500 5.245 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccc(C)o2)c1 170299887 YZZGVEJMMFGYQE-QHCPKHFHSA-N 426.472 5.469 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2ccc(C)o2)c1 170302212 WGTGQXMSMAERSE-DEOSSOPVSA-N 443.499 5.313 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2sccc2C)cc1C 170315345 MDRHXTUNEIFXJE-QFIPXVFZSA-N 447.556 5.773 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 170328857 FRYPQYYLXQYZEN-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1ccc(OC(C)C)cc1 170335338 RRQCRUYEDKMWNS-DEOSSOPVSA-N 443.499 5.265 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)ccc1O 170464050 IZIPOQCLHNNNOI-OAQYLSRUSA-N 447.890 5.099 30 10 IKEE CC1(C)COB(c2ccc(-c3ccc(F)c(C(F)(F)F)c3)cc2C2CCCCC2)OC1 197997395 ONANTCCXUBHBEB-UHFFFAOYSA-N 434.282 6.327 30 10 IKEE CC1(C)Cc2c(sc(N=CN(Cc3ccccc3)Cc3ccccc3)c2C#N)C(C)(C)N1 254567263 QEAORTCWKNTHGV-UHFFFAOYSA-N 442.632 6.141 30 10 IKEE Cc1cccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=S)Nc2ccccc2)c1 254756892 MUPYNUJGZUCIKW-UHFFFAOYSA-N 439.540 5.688 30 10 IKEE FC(F)(F)c1cccc(-c2cncc(C(F)(F)F)c2-c2cccc(C(F)(F)F)c2)c1 514254016 UHSRXSLOAQIJOY-UHFFFAOYSA-N 435.289 7.472 30 10 IKEE CC(C)Oc1ccc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526516522 OUADNRFHGYDJRH-DEOSSOPVSA-N 444.918 6.056 30 10 IKEE CCOc1cc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2C#N)ccc1OC 526606052 CBVSDQREIYAWRF-XMMPIXPASA-N 444.462 5.162 30 10 IKEE CCOc1cccc([C@@H]2C(c3cccc(OC)c3)=C(O)C(=O)N2c2ccccc2C#N)c1 526607278 UNAXPIBXGQRVCR-XMMPIXPASA-N 426.472 5.023 30 10 IKEE N#Cc1ccc(NC2=C(Sc3ccccc3)C(=O)N(c3ccc4ccccc4c3)C2=O)cc1 526657860 KWRQVXHWQMCSSP-UHFFFAOYSA-N 447.519 5.701 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccc(O)c(Cl)c1 526812834 OBYGTISFUDTSRV-FMCGGJTJSA-N 435.380 5.808 30 10 IKEE CCCOc1ccc(/C=N\n2c(C)nnc2SCc2ccccc2Cl)cc1Cl 526815582 DHSHCQTXRSVCEX-FMCGGJTJSA-N 435.380 5.857 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3)n2/N=C\c2cccs2)c1 526820245 YILMVTIRMVZZLE-XYGWBWBKSA-N 432.618 5.916 30 10 IKEE CCOc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2ccc(C(C)(C)C)cc2)cc1 586205980 ZTHUQRYNMXUVRZ-UHFFFAOYSA-N 448.588 5.650 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(CC#N)c2ccc(Oc3ccccc3)cc2)cc1 586234463 ZVEFNXDKQZEYIT-UHFFFAOYSA-N 448.588 6.321 30 10 IKEE COc1nsc([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)c1Br 690150841 JLIRPHPMJNNOLI-CYBMUJFWSA-N 444.395 5.439 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 698890011 FZXZMFFZVKMUET-QFIPXVFZSA-N 435.952 5.375 30 10 IKEE C[C@H]1c2ccccc2C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 698967069 UXZWPMSRUDSWQE-NYHFZMIOSA-N 427.342 5.813 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1ccc(C2CC2)cc1 710706269 GIDGMPQJEUHRSU-FQEVSTJZSA-N 427.342 6.333 30 10 IKEE CCCN1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)CC1 710751834 RONJCIKZKFPMBR-NRFANRHFSA-N 436.394 5.349 30 10 IKEE O=C1N(c2ccccc2)/C(=N\C23CC4CC(CC(C4)C2)C3)[C@H](N2CCCC2)C12CCCCC2 1081100883 WOMTWXKWWUQOJQ-IQRQRENBSA-N 445.651 5.815 30 10 IKEE COc1ccc(Br)cc1C(=O)Nc1ccc(/C=C\C(=O)c2ccccc2)cc1 1084475878 FXGGQNBOROEAHF-LCYFTJDESA-N 436.305 5.606 30 10 IKEE Cc1ccccc1/C=C1/S/C(=N/N=C/c2ccc([N+](=O)[O-])cc2)N(Cc2ccco2)C1=O 1615304813 XXBOMPNRPGYMIM-IOOFSVDWSA-N 446.488 5.003 30 10 IKEE O=C1/C(=C/c2ccc(Br)cc2)SC(=Nc2nccs2)N1c1ccccc1 1772734966 OWIHDBLFCYHMGK-PALNNIJKSA-N 442.363 5.714 30 10 IKEE Cc1cccc(N=C2S[C@@H](CC(=O)c3ccc(Cl)cc3)C(=O)N2c2cccc(C)c2)c1 1772760138 SWKVMWDRHCQJDM-QHCPKHFHSA-N 448.975 6.366 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)CSc1nc(O)c(C#N)c(-c2cccc(Cl)c2)n1 1860463546 GLKUBLHBHDYGKR-UHFFFAOYSA-N 445.331 5.067 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](C)NC(=O)/C=C/c1ccc(Br)cc1 1861105184 FWWXCPOBNASIGZ-QCUIPMNBSA-N 437.422 5.224 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccc3c(c2)CCCN3C)cc1 1862393742 CDENEXLKLIXFIZ-RUZDIDTESA-N 444.575 5.152 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@@H]1c1ccc(C(C)C)cc1 1862394809 KKEXLEVFPJDIPB-SANMLTNESA-N 447.619 6.921 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CCCCCC2)cc1 1862414363 YIAQROVEQXJISE-QFIPXVFZSA-N 441.474 5.275 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccc(Cl)cc2)cc1 1862476552 LVKRMHLEKAIECQ-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1O 1862480735 NGEHEMBKCUJZOY-XDHUDOTRSA-N 443.499 5.049 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2cccc(F)c2)ccc1F 1862502331 WVCKUOXAHJRMAA-WAIKUNEKSA-N 433.454 5.613 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cccc(Br)c1 1862509687 NSJZNTKHJZURJP-YJYMSZOUSA-N 446.316 5.273 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(C(=O)O)cc1 1862617301 XCIZDOHUGZTEIL-QFIPXVFZSA-N 449.547 5.451 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1F 1862640661 QWLPHXPZEMVQAO-QHCPKHFHSA-N 439.527 5.582 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2cccc(F)c2)cc1 1862687565 MUFIFPZWYKDNJW-QHCPKHFHSA-N 435.495 5.303 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2c(F)cccc2Cl)c1 1862704830 JYWZRNOAEJCESQ-FQEVSTJZSA-N 429.875 5.009 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccccc1 1862721622 HAMCDBNTORVCJN-RUZDIDTESA-N 425.528 5.978 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccccc1[N+](=O)[O-] 1862728194 WAKPAGPOBRLPQG-HSZRJFAPSA-N 442.471 5.249 30 10 IKEE CCOc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccccc3Cl)C2=O)cc1 1863067704 BPGQNDDTJIDRGE-UHFFFAOYSA-N 443.890 5.007 30 10 IKEE Cc1cc(C2=C(Nc3ccc(F)cc3Cl)C(=O)N(c3ccccc3C#N)C2=O)ccc1F 1863101017 RDTLFLBAQDABDI-UHFFFAOYSA-N 449.844 5.195 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(Cl)cc2)C1=O 1863173060 IRSLPGSNHCEKFQ-OAQYLSRUSA-N 435.955 5.763 30 10 IKEE N#Cc1ccc(NC2=C(c3ccc(F)cc3F)C(=O)N(C3CCCCCCC3)C2=O)cc1 1863315925 YCLZNAIALGNIQM-UHFFFAOYSA-N 435.474 5.141 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(C)c(C)c2)=C(c2ccc(OCc3ccccc3)cc2)C1=O 1863362619 SBKCFFHXGWTMJC-UHFFFAOYSA-N 438.527 5.260 30 10 IKEE COCCc1nc(Nc2ccc(C#N)cc2)cc(N2C[C@H](C)Cc3c(C)ccc(C)c32)n1 1868266975 FJEGZQHJOCJEJM-QGZVFWFLSA-N 427.552 5.228 30 10 IKEE N#Cc1nnn(Cc2ccc(Cl)c(Cl)c2)c1NC(=O)c1ccccc1-c1ccccc1 1870108423 GJLWLJDXTCCJBD-UHFFFAOYSA-N 448.313 5.424 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(CC)cc2)cn1Cc1ccccc1C 1870465189 PLTUNJVCMIRYNF-UHFFFAOYSA-N 442.603 5.520 30 10 IKEE CCCCCCCCn1cc(OCC(=O)Nc2ccccc2)c(=O)cc1CN(CC)CC 1870759922 VDNQSGIVKCAPBT-UHFFFAOYSA-N 441.616 5.068 30 10 IKEE CCCCCCCOc1cn(CCN(C)C)c(CNc2ccc(C(C)(C)C)cc2)cc1=O 1870838159 RFSDZRZGFGMQOX-UHFFFAOYSA-N 441.660 5.669 30 10 IKEE CCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CNc1cc(Cl)ccc1C 1871258707 XNQPLIPMGKSSOO-UHFFFAOYSA-N 447.063 7.208 30 10 IKEE CCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(Br)cc1)C3=O 1871346783 WXSGWIOQMDCQBR-ODLFYWEKSA-N 428.326 5.326 30 10 IKEE CCCCC[C@H](CC)N1COc2ccc3c(c2C1)O/C(=C\c1ccc(C(C)(C)C)cc1)C3=O 1871347607 KPPNQFZKIFQPKS-XIIPJFCMSA-N 447.619 7.111 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(N(C)C)cc1)C3=O)CN([C@H]1CCCC[C@@H]1C)CO2 1871355489 BDEVAFHLLCDFFE-GRNJFCEASA-N 432.564 5.408 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O 1871382698 BIFLIMIBEBKELI-YVLHZVERSA-N 447.295 5.899 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871387831 OLQKSCWZTRMSSH-HAHDFKILSA-N 432.447 5.758 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(OC(C)C)cc4)c3C)C2=O)cc1 1871388271 MMTQCFSRMGXONS-XYGWBWBKSA-N 442.511 6.180 30 10 IKEE COc1ccccc1/C=C1\Oc2c(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c(O)cc(C)c2C1=O 1871394424 XCEKFBCVGUFPHS-OPLNFVGMSA-N 447.575 5.726 30 10 IKEE C[C@H](Oc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O)C(=O)Nc1ccc(F)cc1 1871400757 KGSGGCZJGVJOJO-ZDXHCBJDSA-N 437.854 5.501 30 10 IKEE Cc1cccc(OCCCOc2cc(C)c3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)c1 1871407060 WXDSVOCZUNMSDN-ONUIUJJFSA-N 443.543 5.834 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4cccc(C)c4C)cc(C)c3C2=O)c1 1871414385 UJWSCRHHUXFOJU-FQOPDIHJSA-N 441.527 5.942 30 10 IKEE CCOc1ccccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(C)cc1)C2=O 1871417514 CABFQDJMEGFFPI-IWIPYMOSSA-N 443.499 5.336 30 10 IKEE CC(C)c1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871435525 QDYIMPKNEUUZKF-CFRMEGHHSA-N 447.918 6.097 30 10 IKEE C=CCN(CC=C)c1nc(=NCc2ccccc2Cl)nc(Nc2ccc(CC)cc2)[nH]1 1871583266 GUNNFYBPEOQQMD-UHFFFAOYSA-N 434.975 5.043 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1)S(=O)(=O)CCCC 1871801792 RZUPEZBBJKRZTR-QFIPXVFZSA-N 449.016 5.336 30 10 IKEE C=CCN([C@@H](CC)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1c(C)cc(C)cc1C 1872451053 RQFMTUWVBBMYEX-QHCPKHFHSA-N 442.625 5.329 30 10 IKEE C=CCOc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2c[nH]c3ccccc23)cs1 1872776897 ADFBRYGJYDLVSD-KRWDZBQOSA-N 429.501 5.111 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)c2ccc3cc[nH]c3c2)n1 1872777175 IBHGJGNDPMQJSI-IBGZPJMESA-N 429.545 6.088 30 10 IKEE CCc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1 1872780717 LPDCPKQZHULMMJ-QHCPKHFHSA-N 446.616 6.642 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@@H](C#N)C(=O)C23CC4CC(CC(C4)C2)C3)n1 1872786373 IIYFYZLJCMNJRL-XHBUVVKHSA-N 440.996 6.173 30 10 IKEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2[nH]1 1872807012 QJUXHGOFMIFIQO-UHFFFAOYSA-N 447.922 5.290 30 10 IKEE CCCCCCCCNC(=O)c1ccc2nc(Cc3cc(Cl)ccc3Cl)[nH]c2c1 1872808204 UIVSPXJINAVAJR-UHFFFAOYSA-N 432.395 6.551 30 10 IKEE CCCCCCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C2CC2)C1=O 1873169078 XWEDBTHZQCYBRC-UHFFFAOYSA-N 433.596 5.287 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(F)cc2Cl)=C(c2c(Cl)cccc2Cl)C1=O 1873289283 GAFJYVJEWKKGSG-UHFFFAOYSA-N 425.674 5.164 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SC)n1/N=C/c1ccc(Cl)c(Cl)c1 1874227915 JIXHXLJEMYDBIF-FSJBWODESA-N 449.363 5.333 30 10 IKEE C=CCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1c(F)cccc1Cl 1874255891 JOGXKPNIIUCCCH-BRJLIKDPSA-N 444.963 5.735 30 10 IKEE CCCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(C(=O)OC)cc1 1874271379 SZHITMSJIBAMKV-YZSQISJMSA-N 444.560 5.193 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccccc2)cc1 1874301595 HFWOSXSMYFTGMR-WPWMEQJKSA-N 446.551 5.581 30 10 IKEE COc1ccccc1/C=N/n1c(Cc2ccc(F)cc2)nnc1SCc1ccccc1C 1874379456 SUWVTJOSPUJNSS-JVWAILMASA-N 446.551 5.500 30 10 IKEE O=[N+]([O-])c1cccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2)c1 1874379711 IBNVXGNANXWQTR-MFKUBSTISA-N 447.495 5.091 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2[C@@H](C)c2ccccc2)cc1 1874394302 IYRRUZLJGXOZPH-KKMLCIJBSA-N 442.588 5.921 30 10 IKEE COc1cc(/C=N/n2c(SCc3ccc(C)cc3)nnc2-c2ccccc2)ccc1O 1874425760 YSIWPJUVIIQVHO-MFKUBSTISA-N 430.533 5.142 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCc3cccc(Cl)c3)nnc2-c2ccccc2)c1 1874430743 VYBJEESXVNMRMO-AFUMVMLFSA-N 434.952 5.787 30 10 IKEE COc1cccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CCCC2)c1O 1874457268 JALZSDHDVOJBIU-ZMOGYAJESA-N 442.972 5.478 30 10 IKEE Cc1ccccc1NC(=O)CSc1nnc(C(C)C)n1/N=C/c1ccc(C(C)C)cc1 1874512216 MQORVVQIPZVXTB-AFUMVMLFSA-N 435.597 5.446 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(Cl)cc1 1874516761 DMMIUTJVMSJIBQ-AUEPDCJTSA-N 439.799 6.536 30 10 IKEE CCOc1ccc(Cc2nnc(S)n2/N=C/c2ccccc2OCc2ccccc2)cc1 1874565219 OLOKINMXRZLCLV-YZSQISJMSA-N 444.560 5.018 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2ccc(Cl)cc2Cl)cc1 1874572276 FNSJCAQCZXPXSD-WYMLVPIESA-N 441.354 7.040 30 10 IKEE CCc1ccc(C(=O)/C=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)cc1 1874572816 HORILXNSJKOQAB-WUKNDPDISA-N 426.943 7.531 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1OCc1ccccc1 1874579240 DBMZEQZPXMDAGI-CSKARUKUSA-N 447.745 7.131 30 10 IKEE O=C(/C=C/c1c(OCc2c(F)cccc2Cl)ccc2ccccc12)c1ccc(F)cc1 1874584093 WFAFGKOACQCAJN-BUHFOSPRSA-N 434.869 7.247 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cccc(OC)c2OCc2ccccc2C)c1 1874587422 LRIWTCSQVWAGIE-JQIJEIRASA-N 446.543 6.276 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2)c(Br)c1OCc1cccc(C)c1 1874595529 QCRHTYKXTLXIIK-ACCUITESSA-N 437.333 6.241 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1Cl)NCc1ccco1 1874602522 QPCLUIDMHDFRKD-YRNVUSSQSA-N 445.902 5.678 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OCc1cccc2ccccc12 1874612614 DFDWQRSRYKPNLL-UKTHLTGXSA-N 430.450 6.602 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1cccc(C)c1C 1874614636 WDULJTNRDSBPBG-NTUHNPAUSA-N 449.934 5.879 30 10 IKEE COc1c(Br)cc(/C=C/C(=O)c2cccc3ccccc23)cc1Br 1874623773 UNTLQORVOVXRDZ-MDZDMXLPSA-N 446.138 6.270 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(-n3cccc3)cc2)c1)c1ccc2c(c1)OCO2 1874707491 ILHYYUOCGGJSFG-WUXMJOGZSA-N 437.451 5.321 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc1OC(=O)C1CCCC1 1874709661 MYJRPOBTYFIILM-JLHYYAGUSA-N 436.548 5.993 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1OC(=O)c1ccccc1F 1874712175 BNCAYIWDDKPINZ-FMIVXFBMSA-N 434.463 5.575 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](C)CSc2nnc(CCc3ccc(Cl)cc3)n21 1875052555 JIVWSUNPZIODOC-KRWDZBQOSA-N 435.037 5.426 30 10 IKEE Cc1ccccc1CCC(=O)Oc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1Cl 1875088163 OXBMFARNLMQCHW-FMIVXFBMSA-N 449.890 5.991 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1Cl)c1ccncc1 1875104526 BJTGMNKLNJQMQZ-ORCRQEGFSA-N 432.690 6.157 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cccs3)c(Cl)c2)cc1C 1875107103 AAJDHUUOXQHOID-VMPITWQZSA-N 426.921 5.763 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)c1 1875118558 CNTHJHIXPRADID-WUXMJOGZSA-N 437.835 5.372 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)Cc1cccs1 1875132274 NSJROZROWLAXRC-XBXARRHUSA-N 447.339 6.108 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(N(C)C)cc2)cc1 1875169824 UJWBIMARLDAAPS-OVCLIPMQSA-N 429.516 5.493 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C=CC(=O)Cc2cccc(F)c2Br)cc1 1911889198 UMHGNVGNDXKLEN-UHFFFAOYSA-N 434.305 5.760 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@](C)(O)c1ccc(Br)cc1Cl 1922064835 IFSOSLPIKYSTBJ-LEWJYISDSA-N 438.793 5.061 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1ccc(NC(=O)OC(C)(C)C)c(OC)c1 1924362057 JDPVPBHJMIMFHD-HSZRJFAPSA-N 426.557 5.466 30 10 IKEE C=CCC1(NCc2ccc(Br)cc2Cl)CCN(C(=O)OC(C)(C)C)CC1 1924543842 ZUHUOZIXQRNZOR-UHFFFAOYSA-N 443.813 5.538 30 10 IKEE CCCCCCC[C@@H](C)NCCCONC(=O)OCC1c2ccccc2-c2ccccc21 1928767505 KXPCADBIAPXLBM-OAQYLSRUSA-N 438.612 6.185 30 10 IKEE CCOc1c(Br)cc(Br)cc1C=CB1OC(C)(C)C(C)(C)O1 1975432011 GGRPDVZNBCUIMG-UHFFFAOYSA-N 431.961 5.255 30 10 IKEE CC1(C)CC[C@@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)[C@@H](OCc2ccccc2)C1 1998841967 ZYVPZLWFQZTPTM-CVDCTZTESA-N 427.549 5.592 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 2005383664 XVYYMMLBBJVQHW-QHCPKHFHSA-N 433.524 5.251 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(Cc2ccccc2)C[C@H]1C 2037425363 DHNPTMHPUROTFN-IBVKSMDESA-N 435.568 5.241 30 10 IKEE CCCCCCCCCCC[C@H](O)c1scc(Br)c1Br 2152524823 XGDCMTXMPKJDHO-AWEZNQCLSA-N 426.258 7.227 30 10 IKEE Cc1cc(Br)c(N=C2N[C@](C)(C(F)(F)F)CS2)c(Br)c1 2161365012 KVPHSXSMZIVZGO-NSHDSACASA-N 432.103 5.165 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1CN(c1ccc(C#N)c(Br)c1)C1CC1 2174811280 WETPMRSZRMGXJP-GOSISDBHSA-N 434.378 5.079 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)CCCC12CC2 2214442387 CLRREAZYJRBRCH-NVQXNPDNSA-N 428.617 5.355 30 10 IKEE C=CCN(C[C@H](NCCC)c1sc(C)c(C)c1Br)C(=O)OC(C)(C)C 2221832006 LOAORHDRNYFNLZ-HNNXBMFYSA-N 431.440 5.591 30 10 IKEE C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1 2255822588 OQJSTGKQBFLGOY-QGZVFWFLSA-N 439.792 5.080 30 10 IKEE C=C(C)CCCC[C@@H](NCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2259161908 QYUAZXGKXQXOLW-SQHAQQRYSA-N 444.660 5.945 30 10 IKEE C=CC[C@@]1(COc2nc(C)ccc2Br)CCCN(C(=O)OC(C)(C)C)C1 2272228873 LYEDYPLLYGNCCI-HXUWFJFHSA-N 425.367 5.125 30 10 IKEE C=CCCC1([C@@H](NC)c2cc(Cl)c(Cl)c(Cl)c2)CN(C(=O)OC(C)(C)C)C1 2281054257 VLXNFUAHHOAPOB-KRWDZBQOSA-N 433.807 6.111 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCCN1c1c(Br)cccc1C#N 2285220771 NPDOXZBMHAKDQG-ROUUACIJSA-N 434.378 5.079 30 10 IKEE CCN(Cc1ccccc1Nc1c(Br)cccc1C#N)C(=O)OC(C)(C)C 2285243559 ZWLVSPNDYZDZMS-UHFFFAOYSA-N 430.346 5.821 30 10 IKEE CCN1C(=O)C(=Cc2ccc(-c3cccc(C(=O)OC)c3)o2)SC1=Nc1ccccc1 2293175793 QWXOSSDPZIQZOJ-UHFFFAOYSA-N 432.501 5.357 30 10 IKEE CN[C@H](C#Cc1ccc(Br)cc1)[C@H](C)CCC[C@H](C)NC(=O)OC(C)(C)C 2296288644 JFGPOUPWSQESJI-FUHIMQAGSA-N 437.422 5.108 30 10 IKEE C[C@@H]1Oc2ccccc2C=C1C=C1Oc2cc(OC(=O)c3ccccc3Cl)ccc2C1=O 2296868451 FRBVDOPMDIZHET-HNNXBMFYSA-N 444.870 5.883 30 10 IKEE O=C1NC(=Nc2cccc(Cl)c2Cl)SC1=Cc1cccn1-c1ccc(Cl)cc1 2313562062 BREZPACFMFOLNN-UHFFFAOYSA-N 448.762 6.329 30 10 IKEE Cc1ccc(N=C2NC(=O)C(=Cc3ccc(N(C)C)c(Br)c3)S2)cc1C 2313670650 MXYXEWVGECKTOW-UHFFFAOYSA-N 430.371 5.024 30 10 IKEE C#CCOC(=O)C=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 2314014528 PSFSDRBLHKZSDA-UHFFFAOYSA-N 440.120 5.525 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2ccc(C(=O)C=Cc3c(F)cccc3Cl)cc2)cc1 2314430253 ZRBLHXXFEICXMR-UHFFFAOYSA-N 436.910 6.892 30 10 IKEE CN1C(=O)C(=Cc2ccc(-c3ccc(Br)cc3)o2)SC1=Nc1nccs1 2314542641 NODGGHOKPKQSPH-UHFFFAOYSA-N 446.351 5.399 30 10 IKEE COc1cccc(C=C2Oc3cc(OCc4ccc(Cl)c(Cl)c4)cc(C)c3C2=O)c1 2321787466 QVAWEYVUABWJRG-UHFFFAOYSA-N 441.310 6.506 30 10 IKEE Cc1cccc(CN2COc3cc(C)c4c(c3C2)OC(=Cc2cccc(Cl)c2)C4=O)c1 2322217919 ZDWPNPOOXZSIGH-UHFFFAOYSA-N 431.919 5.925 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2cc(C)ccc2C)cc1 2322371160 LMUSFXJOYUUCBX-UHFFFAOYSA-N 443.543 5.788 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2ccc(C)cc2C)c1 2322372000 XNHXMCAEACXACO-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE COc1ccc(C=C2Oc3c(cc4c(c3C)OCN([C@@H]3CCCC[C@@H]3C)C4)C2=O)c(OC)c1 2322391630 GTVRCVOSKIMBGP-KSFYIVLOSA-N 449.547 5.359 30 10 IKEE O=C(COc1ccc2ccccc2c1C=CC(=O)c1ccccc1Cl)Nc1nccs1 2322436509 XBAXZCMYPBEIHE-UHFFFAOYSA-N 448.931 5.863 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2cc(C)ccc2C)cc1 2322457402 XJNGEEXRRVGIST-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2c(OCc3cccc4ccccc34)ccc3ccccc23)c1 2322617018 HIDIOHCPRNQFRU-UHFFFAOYSA-N 442.558 8.085 30 10 IKEE Cc1c(OC(=O)c2ccc(Cl)cc2)ccc2c1OC(=Cc1ccc(N(C)C)cc1)C2=O 2322703691 JYYQRCVDAHRMTC-UHFFFAOYSA-N 433.891 5.550 30 10 IKEE Cc1cc(OC(=O)c2cc3ccccc3o2)cc2c1C(=O)C(=Cc1ccc3c(c1)OCO3)O2 2322843418 CTADAVDLQHDWKB-UHFFFAOYSA-N 440.407 5.305 30 10 IKEE CCOc1cc(C=NNc2ccc(Cl)cc2)ccc1OCc1c(Cl)cccc1Cl 2322952881 WYASFAJSMKACDK-UHFFFAOYSA-N 449.765 7.071 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3cccc(C)c3)c2)cc1 2323134621 BUMKTJYRHQUBGY-UHFFFAOYSA-N 445.515 5.316 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3cc(C)ccc3C)c2)cc1 2323135302 DOAPIHWSEXVCQX-UHFFFAOYSA-N 429.516 5.616 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3ccc(C)cc3C)c2)cc1 2323157399 DRBYCCLMONINIE-UHFFFAOYSA-N 443.543 6.006 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCc3ccc(Cl)cc3)c2)cc1F 2323201756 LQQXSJWHSODRTH-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1OCC(=O)Nc1ccc(C)c(C)c1 2323218062 LGMAREUCILDCOV-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)c4ccc(C)c(C)c4)ccc3C2=O)cc1OC 2323247239 AYEZKYSUWVNGIR-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(-c4ccccc4)cc3)cc2)o1 2323341742 IWAVOHJBAAPYPC-UHFFFAOYSA-N 438.479 6.208 30 10 IKEE CCOc1cc(C=NS(=O)(=O)c2cccs2)ccc1OCc1ccccc1Cl 2323438012 DNMWVTNCQQFANG-UHFFFAOYSA-N 435.954 5.187 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Cl)c1OCc1cccc(C)c1 2323767235 OATBGORSQKEUDH-UHFFFAOYSA-N 441.354 7.176 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)ccc1F 2323970538 PVBITCKJJFWJGM-UHFFFAOYSA-N 425.843 6.171 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OCCCc4ccccc4)c3C)C2=O)c1OC 2324272570 YFFDSFYYOBRJKW-UHFFFAOYSA-N 430.500 5.640 30 10 IKEE Cc1c(O[C@H](C)C(=O)OC(C)C)ccc2c1OC(=Cc1ccc(Br)cc1)C2=O 2324305589 MCEHCDHNKSXJLP-CQSZACIVSA-N 445.309 5.093 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OCc3ccccc3)c(Br)c2)c(C)c1 2324548099 HTQLIISLAPYAFQ-UHFFFAOYSA-N 435.361 6.849 30 10 IKEE CCOc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(F)c(C)c3)cs2)cc1OC 2324567720 PZMXWPTUMMJHJR-GOSISDBHSA-N 436.508 5.555 30 10 IKEE CCOc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc1 2324847689 YEYGJLFQQDXZIG-IBGZPJMESA-N 438.936 5.760 30 10 IKEE Cc1cc(OCC(=O)C(C)(C)C)cc2c1C(=O)C(=Cc1ccccc1Br)O2 2324919457 ZHDKAXULXWDUFP-UHFFFAOYSA-N 429.310 5.368 30 10 IKEE Cc1c(Cl)cccc1NC(=O)COc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O 2325053745 YAXLGIAXRXMBOI-UHFFFAOYSA-N 445.902 5.838 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1cccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)c1 2325684911 ZVWJHVCTOJFVAX-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE CCc1ccc(CCC(=O)Oc2cc(C=CC(=O)c3ccccc3Cl)ccc2OC)cc1 2325717196 MORVDERILFKGNX-UHFFFAOYSA-N 448.946 6.345 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cccc(OC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)c2)c1 2325740983 QLMASDQCGKDLLH-RPWUZVMVSA-N 430.931 6.562 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2cccc(OC(=O)c3cccc([N+](=O)[O-])c3)c2)c1C 2325756923 MHGZHKNBCCDGFX-UHFFFAOYSA-N 429.472 5.944 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC)c3ccccc23)cc1OC(=O)C1CCCC1 2325776018 NCFOPKYSULGCOI-UHFFFAOYSA-N 430.500 5.849 30 10 IKEE CCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1cccc(Cl)c1 2326002837 MVQWTDJVDFHAPH-UHFFFAOYSA-N 435.380 5.591 30 10 IKEE CCCOc1ccc(C=Nn2c(C)nnc2SCc2cc(C)cc(C)c2)cc1Cl 2326399158 SQTAEIBFOATDKN-UHFFFAOYSA-N 428.989 5.820 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1ccc(OC(C)(C)C)cc1 2326414529 AHUCIMRDUQLLID-UHFFFAOYSA-N 436.625 6.199 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccc(O)cc2)c(C)c1 2326460686 BYRBLNBJXDVASS-UHFFFAOYSA-N 428.561 5.366 30 10 IKEE CCCSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1c(F)cccc1Cl 2328965503 OCGDIJGTPGLONS-UHFFFAOYSA-N 430.980 5.857 30 10 IKEE Cc1ccccc1CSc1nnc(CC2CCCCC2)n1N=Cc1ccc([N+](=O)[O-])cc1 2330232734 LESCZPXDFWEMFV-UHFFFAOYSA-N 449.580 5.792 30 10 IKEE Fc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2-c2ccccc2)c(F)c1 2330693026 XGXHCBKJNHBKNP-UHFFFAOYSA-N 440.906 6.051 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)c(C)c3)c([N+](=O)[O-])c2)cc1C 2330867292 MXOJNRSDAKUAQU-UHFFFAOYSA-N 445.471 5.644 30 10 IKEE Cc1ccc(CSc2nnc(C3CCCC3)n2N=Cc2ccccc2OC(C)C)cc1 2331017985 CQQYBSYYXTYLBN-UHFFFAOYSA-N 434.609 6.206 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)c2ccc(C)c(C)c2)c([N+](=O)[O-])c1 2331069119 XUUHXOHKCCWUNH-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE Cc1ccccc1CCC(=O)Oc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1Cl 2331123197 PYWUKDVCDGIPRH-UHFFFAOYSA-N 439.338 6.736 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)c([N+](=O)[O-])c1)c1ccccc1 2331174149 ZOTRWDIECRTBBP-WOJBJXKFSA-N 447.874 5.853 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1ccc(C)c(C)c1 2331371904 QEJGJAWQECPDPV-UHFFFAOYSA-N 444.527 6.134 30 10 IKEE CN(C)c1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C(C)(C)C)cc1 2331402652 BWIPHFYNKBKZKY-UHFFFAOYSA-N 443.620 5.969 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1ccc(F)cc1 2331445124 JKIIIGRVKYCJFP-UHFFFAOYSA-N 434.419 5.068 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(CC(C)C)n2N=Cc2ccccc2Cl)o1 2331450940 VCLMZWIGPKFEJI-UHFFFAOYSA-N 446.960 5.074 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)CCCOc1ccccc1C 2331540168 STXVRUMAMFEIKQ-UHFFFAOYSA-N 448.490 5.803 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(SCc2ccc(C)cc2)nnc1C(C)C 2331669913 NWAKQPALRHXDHZ-UHFFFAOYSA-N 430.577 6.046 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)C3CC3)c(Br)c2)cc1C 2331847578 MNPOWJQEQWQZBX-UHFFFAOYSA-N 429.310 5.286 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)CSc2ccccc2)cc1 2331875067 FULYTCDNKSNYAH-UHFFFAOYSA-N 438.932 5.942 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1c[nH]nc1C(C)(F)F 2360822224 RHELIZDAUWCPSI-AWEZNQCLSA-N 441.276 5.290 30 10 IKEE C=CCCCCC[C@@H](OCC(=O)O)c1sc(Cl)cc1I 2366688570 OZTTZWKMFMPRHG-LLVKDONJSA-N 428.719 5.285 30 10 IKEE CCCN[C@@H](C#C[C@@H]1CC1(F)F)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2366716607 XMJNGZXOEVIVIT-ZBFHGGJFSA-N 443.332 5.495 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C/c1c(Cl)cccc1Cl)C2=O)c1ccccc1F 2415991 QGDIUBPZKNDAOA-RGVLZGJSSA-N 429.230 5.968 30 10 IKEE COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(SC)cc2)c1 20886372 AHSPAJMDKOYKAJ-XHCCPWGMSA-N 442.584 6.397 30 10 IKEE Cc1cc(C)cc(-n2c(C)cc3c2CC(C)(C)C/C3=N\OC(=O)COc2ccccc2)c1 39853188 CWUGQPDLZFJAJB-ZZIIXHQDSA-N 430.548 5.701 30 10 IKEE Cc1cc(OC(=O)c2ccc(C(C)(C)C)cc2)cc2c1C(=O)/C(=C/c1ccc(F)cc1)O2 41288534 CBFSTQGSZUSHIW-UCQKPKSFSA-N 430.475 6.267 30 10 IKEE Cc1cc(OCc2c(F)c(F)c(F)c(F)c2F)cc2c1C(=O)/C(=C/c1cccs1)O2 41436060 OYYSVVPTUQCSEF-AUWJEWJLSA-N 438.373 5.947 30 10 IKEE Cc1ccc2[nH]c3nc(N/N=C/c4cn(Cc5ccccc5)c5ccccc45)nnc3c2c1 64981602 DIVBQDIKQQETAG-MZJWZYIUSA-N 431.503 5.264 30 10 IKEE O=C(OCCCc1c[nH]c2ccc(F)cc12)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 96545729 UBXWSVMLJOIFTN-UHFFFAOYSA-N 433.323 6.134 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(-c3c(Cl)cccc3Cl)o2)S/C1=N/c1ccccn1 101124245 MDKHQMKGJLGPQO-JDYWSYTISA-N 444.343 6.272 30 10 IKEE CCCCCCCCCCn1c([C@@H](C)NC(=O)c2ccc(C)cc2C)nc2ccccc21 102115369 UNMQQRVSHQVSRD-HSZRJFAPSA-N 433.640 7.285 30 10 IKEE CCCCCOc1ccc([C@H]2NC(=S)N(CCC)C3=C2C(=O)CCC3)cc1OCC 169929829 MUIAQHJNTOJIDV-HSZRJFAPSA-N 430.614 5.303 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc(Cl)c1OC 169940200 LEYHSCKUJQQPKX-KSEXSDGBSA-N 447.944 5.334 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2ccccn2)cc1C 169994626 JMXNZURPCYRUEV-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(C)c2)c1 170035835 PLHAQPGQRWTFIE-HSZRJFAPSA-N 431.463 5.316 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2ccc(Cl)cc2)=C(N2CCCCC2)C1=O 170069315 IUOJXELTOPIQGK-UHFFFAOYSA-N 431.020 6.047 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2c[nH]c3ccccc23)cc1C 170073604 QCLXPVFWYOMPKO-XMMPIXPASA-N 440.474 5.707 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(OC)c1 170120434 HEKWQHSTEVZQBJ-IBGZPJMESA-N 434.319 5.380 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC(C)C)cc3)[C@@H]2c2cccnc2)c1 170185634 PFBDHFAQAMPDJE-DEOSSOPVSA-N 442.515 5.208 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccccc2)cc1 170228553 ZFODPVMDDXSLKA-RUZDIDTESA-N 430.463 5.494 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccc2)cc1C 170228958 GOIXNOWAJHSFNZ-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(Cl)cc2)c(C)c1 170235387 XFVRBFWJDOWQBV-OAQYLSRUSA-N 437.879 5.029 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2C)c1 170269793 BMIXRVNQPFJUCK-QHCPKHFHSA-N 447.556 5.624 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccco2)ccc1Cl 170279645 YNIZSQCLAMIKSW-LJQANCHMSA-N 443.908 5.172 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2ccco2)s1 170284142 OGESBALTUSYYHG-KRWDZBQOSA-N 428.897 5.098 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccco2)cc1 170285995 ZPOFPFODSGXAKI-HSZRJFAPSA-N 431.488 5.468 30 10 IKEE C#CCSc1nn([C@H]2CCOC(C)(C)C2)c(=O)c2c1-c1ccccc1CC21CCCCC1 197598912 JEGLQYFEHDRZJL-FQEVSTJZSA-N 448.632 5.524 30 10 IKEE CCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 252695351 YSSYRCSUIQKJPD-DSKNGVCZSA-N 444.700 7.651 30 10 IKEE C=C(C)[C@H]1CC[C@@]2(C(N)=O)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CCC(=O)C[C@H]5CC[C@@]43C)[C@@H]12 253531387 IIMYCYVBVMITJJ-RLMZKIFHSA-N 425.657 6.062 30 10 IKEE CCCCCOc1ccc(C(=O)Oc2ccc(N=Cc3ccc([N+](=O)[O-])cc3)cc2)cc1 254815047 ACZFUGFQGNQCIF-UHFFFAOYSA-N 432.476 6.134 30 10 IKEE O=C(Nc1sc(NN=C/C=C/c2ccccc2)nc1-c1ccccc1)c1ccc(F)cc1 254844131 WUEHLAZWAATKHX-HOISZKDLSA-N 442.519 6.313 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccncc2)cc1Cl 526489618 AHIBPSHDLKZYRP-QFIPXVFZSA-N 431.879 5.063 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(Cl)cc2)cc1OC 526518578 ZPPXVRFFCPZQOS-HSZRJFAPSA-N 446.890 5.286 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3cccc4ccccc34)[C@@H]2c2cccc(Cl)c2)c1 526520301 LNJJOARRDRSZJN-VWLOTQADSA-N 436.898 6.422 30 10 IKEE COc1ccccc1[C@H]1C(c2cccc3ccccc23)=C(O)C(=O)N1c1ccccc1C#N 526609493 FRSMONBQPXIYDY-SANMLTNESA-N 432.479 5.777 30 10 IKEE CCCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1ccc(CC)cc1 526805414 FOSZDWUWTXAVBV-IMRQLAEWSA-N 434.653 6.655 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(Cc2ccccc2)n1/N=C\c1ccco1 526815759 MUYFCDCTXDAQNI-CFRMEGHHSA-N 443.359 5.943 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccc(CC)cc1 526822161 TZZUAEAKPQBXCC-IMRQLAEWSA-N 428.605 6.511 30 10 IKEE N#Cc1cccc(NC(=O)Nc2ccc(C(=O)Nc3ccc(N4CCCC4)cc3)cc2)c1 586722001 IAXQIWSVICMICY-UHFFFAOYSA-N 425.492 5.055 30 10 IKEE C=CCCCCC[C@H](NC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 693698068 RLACOFNHMNVKPB-QHCPKHFHSA-N 429.649 5.270 30 10 IKEE CCCCCCC[C@@](C)(CN)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 698221756 PJEOTTANXNNGDQ-NRFANRHFSA-N 427.427 6.269 30 10 IKEE CC(C)[C@@H]1CC[C@@H](C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 698480891 CIFFIFMDUYTPKG-GTCCEBARSA-N 435.406 6.545 30 10 IKEE Cc1c(Cc2ccccc2)sc(N=Cc2ccc(OCc3ccccc3)cc2)c1C(N)=O 1084086490 UXADZQIRYUVBDH-UHFFFAOYSA-N 440.568 6.076 30 10 IKEE Cc1ccc(-n2nc(C)c(C=NNc3ccc(I)cc3)c2C)cc1C 1084184143 IJKXZEXISSACCY-UHFFFAOYSA-N 444.320 5.157 30 10 IKEE Cc1ccc2nc(CSc3n[nH]c(NN=Cc4cccc(Cl)c4Cl)n3)[nH]c2c1 1084647713 OGSDHGBXVRGXIZ-UHFFFAOYSA-N 432.340 5.035 30 10 IKEE CCCC[C@@H](CC)OC(=O)CSc1n[nH]c(NN=C(C)C23CC4CC(CC(C4)C2)C3)n1 1084656460 ZNRZQMOUZFSXTG-GYVBGXKYSA-N 447.649 5.413 30 10 IKEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(CC(C)C)CC1 1538992400 QQIXJSNVAWYCED-INIZCTEOSA-N 445.405 5.000 30 10 IKEE CN(C)c1ccc(/C=C2/SC(=Nc3cccc(C(=O)O)c3)N(c3ccccc3)C2=O)cc1 1772733434 AIWJSDCFQQYJSQ-XKEFNESHSA-N 443.528 5.259 30 10 IKEE O=C1/C(=C/c2ccccc2)SC(=Nc2nc(-c3ccccc3)cs2)N1c1ccccc1 1772733522 BYRFUNKNXLMOIT-MTTLQMSQSA-N 439.565 6.619 30 10 IKEE Cc1cccc(N=C2S/C(=C\c3c(F)cccc3Cl)C(=O)N2C2CCCCC2)n1 1772738552 SMRNZNHFWJLGLA-VZKFJVGXSA-N 429.948 6.119 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc3c(OC(=O)NCCC4=CCCCC4)cccc23)c1 1858945019 ZPYLZWNWYRMUDJ-UHFFFAOYSA-N 439.515 5.943 30 10 IKEE CCOc1ccc(-c2cc(C(=O)Nc3ccccc3C#N)nn2Cc2cccc(C)c2)cc1 1859409777 NHHFLSBFCXIPMO-UHFFFAOYSA-N 436.515 5.430 30 10 IKEE N#Cc1c(NC(=O)c2ccc3nc(-c4cccc(Cl)c4)oc3c2)sc2c1CCCC2 1859742859 HMSKPYCBBRZJMO-UHFFFAOYSA-N 433.920 6.212 30 10 IKEE CCCCCCCCCCNc1cc(N2CCOCC2)nc(-c2ccc(OC)cc2)n1 1859792960 UDOZSOBKPBVKLR-UHFFFAOYSA-N 426.605 5.541 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 1861669623 KWFZMUXCANGLOZ-NTKDMRAZSA-N 439.040 5.649 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C2CCCCC2)cc1 1862379420 BGNXCENOXBDPOR-OAQYLSRUSA-N 444.358 6.213 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2ccc(CC)cc2)cc1 1862390534 GERPUXOBMYYMJC-DEOSSOPVSA-N 435.564 5.206 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1 1862450541 KCPAAIPTFGYQRE-LJQANCHMSA-N 449.856 5.880 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccccc2F)c1 1862490149 OOCWFQGBXYHOMS-VWLOTQADSA-N 443.518 5.838 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccccc1F 1862502094 QYYHHAXGUBGGQC-HSZRJFAPSA-N 449.453 5.060 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccc(O)cc2)cc1 1862530880 ZVIGBXDPNMMRSR-OSPHWJPCSA-N 427.500 5.294 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2ccc(F)cc2)cc1 1862555825 JBYCBVQHUFAVAP-GYCJOSAFSA-N 444.506 5.310 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1F 1862674421 WJMOOEBAVGFTQL-QFIPXVFZSA-N 427.491 5.904 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc(Cl)c1 1862675796 UGTYMRQSZOTIGY-OYHNWAKOSA-N 435.882 5.819 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1c(F)cccc1Cl 1862719032 HRXPZXNZZSABNY-PEBXRYMYSA-N 437.898 6.009 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2CC)c1 1862728701 INPXYQAKZLNUKJ-VWLOTQADSA-N 441.527 5.741 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(F)c(Cl)c3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862905315 HMWNVEPZERHJDB-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863279928 IDWHERPOWFLLIH-UHFFFAOYSA-N 445.390 6.546 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H](C)c2ccc(CC)cc2)=C(c2ccc(C)cc2)C1=O 1863621771 VNNOAEUUWCITIE-QFIPXVFZSA-N 446.635 6.349 30 10 IKEE CCC[C@H](NC(=O)C[C@@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866737175 AWPDRFBBXNDZMB-RPBOFIJWSA-N 433.596 5.735 30 10 IKEE CCC[C@@H](NC(=O)C[C@@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866742002 RHLFPSPJVWJJKB-JWQCQUIFSA-N 433.596 5.735 30 10 IKEE Cc1ccccc1-c1nc(Nc2ccccc2C#N)cc(N2CCO[C@H](c3cccnc3)C2)n1 1868307841 WVWSDXBWSFTAOW-DEOSSOPVSA-N 448.530 5.040 30 10 IKEE CCCCCCCOc1cn(CCCC)c(CSCc2nc3ccccc3[nH]2)cc1=O 1870252050 ANBJBXSXUORSKK-UHFFFAOYSA-N 441.641 6.307 30 10 IKEE CCCCCCCOc1cn(CCCO)c(CNc2cc(Cl)cc(Cl)c2)cc1=O 1870837553 LUOFVWSPBUCDBP-UHFFFAOYSA-N 441.399 5.499 30 10 IKEE C=CCn1cc(OCCCCOc2ccccc2C)c(=O)cc1CNc1ccc(OC)cc1 1871227843 ICUOOKUWWZJDLZ-UHFFFAOYSA-N 448.563 5.201 30 10 IKEE CN(C)CCCCN1COc2ccc3c(c2C1)O/C(=C\c1c(Cl)cccc1Cl)C3=O 1871348545 LALGPCNVZMXRJM-MTJSOVHGSA-N 447.362 5.103 30 10 IKEE CC(C)=C1Oc2c(ccc(OC(=O)/C=C/c3ccc(OCc4ccccc4)cc3)c2C)C1=O 1871364334 DFLZDXJTBOMRIJ-LFIBNONCSA-N 440.495 6.062 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc(OC(=O)c3c(F)cccc3Cl)c2C)C1=O 1871375314 FPUURPOLKVXFBG-YVLHZVERSA-N 428.868 5.993 30 10 IKEE Cc1c(OC(=O)c2ccc(C(F)(F)F)cc2)ccc2c1O/C(=C\c1cccnc1)C2=O 1871375869 HVLPMIICPLETMW-ODLFYWEKSA-N 425.362 5.244 30 10 IKEE CCOc1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2sccc2C)C3=O)cc1 1871379357 DBPZMAGERWCAIR-DOVHKXGHSA-N 446.524 5.999 30 10 IKEE Cc1cc(O)c(CN(C2CCCCC2)C2CCCCC2)c2c1C(=O)/C(=C/c1cccnc1)O2 1871392943 DZEBVYCOHOBRCR-XYGWBWBKSA-N 446.591 6.179 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O 1871403145 STQBNFNFLGZYIG-BEXDPUPVSA-N 427.500 5.580 30 10 IKEE Cc1ccccc1OCCCCOc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O 1871405525 UGQGFFFNTISOID-XYGWBWBKSA-N 434.919 6.503 30 10 IKEE COc1ccc(OCCOc2ccc3c(c2C)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871414805 PWOZDQCNPMLDMX-XAABERSQSA-N 428.484 5.634 30 10 IKEE COc1ccc(OC)c(-c2c(C)c3ccc(OCc4ccc(C#N)cc4)cc3oc2=O)c1 1871417609 MCPDVOSQAVUOPS-UHFFFAOYSA-N 427.456 5.236 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccc(C)cc4C)c3C)C2=O)cc1 1871418701 IGTWCQVJZQYMMI-OYKKKHCWSA-N 443.499 5.254 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OC(c4ccccc4)c4ccccc4)ccc3C2=O)c1 1871430173 BSYDMVIUUWEDPF-IMRQLAEWSA-N 434.491 6.480 30 10 IKEE C[C@H](Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O)C(=O)Nc1ccc(C#N)cc1 1871436299 UHGPQQZJABOJFA-WQKDKYNYSA-N 444.874 5.234 30 10 IKEE N#C[C@@H](C(=O)c1cc(Cl)ccc1Cl)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872760582 RVYRDUQGQOWLCQ-SFHVURJKSA-N 427.356 6.486 30 10 IKEE N#C[C@H](C(=O)/C=C/c1ccc(Cl)cc1Cl)c1nc(-c2ccc3c(c2)OCO3)cs1 1872773603 ROWMQOJKAPWHMD-FIMWJMCYSA-N 443.311 5.735 30 10 IKEE COc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1 1872779291 GQSVJEFYZVULMI-NJTIBFSMSA-N 446.572 6.149 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)cc3)n2)c1 1872780216 CHURYCDMBHDIKN-SFHVURJKSA-N 426.925 5.751 30 10 IKEE COc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2cc(C(C)(C)C)ccc2C)cs1 1872785025 CREOYDPCYAALRZ-LJQANCHMSA-N 434.561 5.680 30 10 IKEE CCCCCCCCCCNC(=O)c1cccc(COc2cccc(C(=O)OC)c2)c1 1872838875 BBTSUKAGBJYZTH-UHFFFAOYSA-N 425.569 5.923 30 10 IKEE C=CCc1ccccc1OCc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 1872859147 HQGFTTYHPZCBGP-UHFFFAOYSA-N 449.550 6.825 30 10 IKEE O=c1c(Cl)c(N/N=C/c2ccc(Cl)c(Cl)c2)cnn1-c1ccc(Cl)cc1 1873526405 CZRWBSHAUKMLDW-GZIVZEMBSA-N 428.106 5.292 30 10 IKEE Cc1ccc(N2CC(=O)C(c3nc(-c4ccccc4)c(-c4ccccc4)s3)=C2N)c(C)c1 1873527921 XYKYIUVSGBIVSO-UHFFFAOYSA-N 437.568 5.811 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc2c(NCCCCC)ncnc21 1873622656 IGHCZTAKZYZQPR-UHFFFAOYSA-N 447.461 5.370 30 10 IKEE N#Cc1cnn(-c2cc(F)cc(F)c2)c1NC(=O)c1c(Cl)ccc(Cl)c1Cl 1873685014 SOTGGTHZVMIMLQ-UHFFFAOYSA-N 427.625 5.235 30 10 IKEE CCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874246209 RTYFOOLBWKAQJG-CVKSISIWSA-N 448.514 5.611 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccc(C)cc3)n2/N=C/c2ccc[nH]2)cc1 1874302442 ZFDSFKPDCIJMNM-WGOQTCKBSA-N 431.565 5.079 30 10 IKEE COc1cccc(CCc2nnc(SCc3ccccc3)n2/N=C/c2cccc(F)c2)c1 1874310156 HLJGKBMWKGZUAZ-WPWMEQJKSA-N 446.551 5.386 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccc(F)cc3)n2/N=C/c2cccn2C)cc1C 1874320038 WPAOMEXATZBWGU-VULFUBBASA-N 449.555 5.126 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2OC)cc1 1874349581 TXEIVGSSTXXEGO-YZSQISJMSA-N 444.560 5.061 30 10 IKEE Oc1cccc(/C=N/n2c(CCc3cccs3)nnc2SCCc2ccccc2)c1 1874371375 WIVXGDTZKHFIKB-JJIBRWJFSA-N 434.590 5.047 30 10 IKEE CC(C)c1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccccc2)cc1 1874408123 HYIRPYKRLOFXSW-OVVQPSECSA-N 432.637 6.699 30 10 IKEE CCN(Cc1ccccc1)c1ccc(/C=N/n2c(Cc3cccs3)nnc2SC)cc1 1874411377 PVQPSZPMDRPEAX-KOEQRZSOSA-N 447.633 5.561 30 10 IKEE Oc1ccc(Cl)cc1/C=N/n1c(SCc2cccc(F)c2)nnc1-c1cccs1 1874421673 YNXYSRPPKAYRAT-FOKLQQMPSA-N 444.944 5.679 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2-c2cccs2)cc1 1874423056 SCVBGUYIUYLCOJ-ZVHZXABRSA-N 439.009 6.397 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc(F)c2)n1/N=C/c1cccc2ccccc12 1874439408 ZLMZMNHBSLYFPS-JVWAILMASA-N 432.568 6.334 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1/N=C/c1sccc1C 1874480701 IQCIBYMNPAFINI-YDZHTSKRSA-N 441.626 5.220 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1ccc(C)cc1 1874483355 RGUXXRKSFAPNBH-MFKUBSTISA-N 435.597 5.059 30 10 IKEE CC(C)c1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccc(C(=O)O)cc1 1874514255 PDRJQCHMWMYVQZ-AUEPDCJTSA-N 449.363 5.581 30 10 IKEE C(=N/n1c(SCc2cccc3ccccc23)nnc1C1CC1)\c1cccc2ccccc12 1874520371 GKVXYOZZEAFWBH-OGLMXYFKSA-N 434.568 6.636 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1c(Cl)cccc1Cl 1874528781 AHVLQGUDFGIBFE-NUGSKGIGSA-N 443.762 6.114 30 10 IKEE CCCOC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1cccc(Br)c1 1874575934 NXDQCNNIZFODEK-SOFGYWHQSA-N 437.717 5.331 30 10 IKEE Cc1cc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2F)ccc1F 1874581182 AOOJZDWLBXCCPT-JXMROGBWSA-N 441.861 5.840 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1cccc([N+](=O)[O-])c1 1874592884 HSAWBTFNTHSFHS-JXMROGBWSA-N 428.271 6.377 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3ccc(F)cc3)c2)cc1Cl 1874599929 KYEIDGZCZSMKJM-BJMVGYQFSA-N 426.871 5.971 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1cccc(OCC(=O)NCc2ccccc2)c1 1874600682 XTLHUMOBWQKHHL-VAWYXSNFSA-N 449.934 5.248 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(OC)c1OCc1cccc(F)c1 1874613320 OAWNPYMKYHDNKA-VAWYXSNFSA-N 436.910 6.691 30 10 IKEE O=C(/C=C/c1ccc(OCc2c(F)cccc2Cl)cc1)c1ccc(Cl)c(Cl)c1 1874615576 FWRZZYQMFAZVHA-IZZDOVSWSA-N 435.709 7.261 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1ccc2c(c1)OCCO2 1874620648 LWPHXAVXRYEBAL-RUDMXATFSA-N 441.310 6.240 30 10 IKEE CC(C)COC(=O)COc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1[N+](=O)[O-] 1874623258 TUCJPACEQHUQFA-ZRDIBKRKSA-N 433.460 5.222 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3c(F)cccc3Cl)c(OC)c2)cc1F 1874623733 RVGTUVYFYDYUFG-RMKNXTFCSA-N 444.861 6.111 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OCc1ccc([N+](=O)[O-])cc1 1874630879 ZELKONYBDKOLSX-YRNVUSSQSA-N 447.487 5.704 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CC(C)(C)C 1874662866 AFHSNAAMBCAVTJ-XMMPIXPASA-N 441.660 5.888 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1OC(=O)c1cncc(C)c1 1874692986 HSSXHPJBJDJYHL-RIYZIHGNSA-N 449.506 6.181 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3c(C)ccc(C)c3C)c2)cc1 1874694580 KIPNKSVFBOMBBZ-DTQAZKPQSA-N 428.528 6.055 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc(Cl)cc3)ccc2OC)c1 1874700748 KJXJLQUIWVEBEG-NTUHNPAUSA-N 436.891 5.863 30 10 IKEE C=CCN(CC=C)CCC(=O)c1ccc(OC(=O)COc2ccc(C)cc2C(C)(C)C)cc1 1874741837 ZMUAIFVUMHEKRH-UHFFFAOYSA-N 449.591 5.524 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2cccc(OC)c2)CSc2nnc(CCC)n21 1874860547 OBDYNHUSKNWZBV-FQEVSTJZSA-N 430.618 5.301 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)C1CCCC1 1875111811 LZCNBDQMUXQGOG-VAWYXSNFSA-N 433.331 6.384 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(C)c3)cc2[N+](=O)[O-])cc1 1875141487 HFXNNGGDZOHGPR-QDEBKDIKSA-N 435.407 5.166 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OC 1875163304 DZHCXROGGGXIRB-GXDHUFHOSA-N 430.491 6.526 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)CCCOc1ccccc1 1875178844 FTCCOYJYZNHPAV-NTCAYCPXSA-N 444.527 5.973 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)cc3)c(Cl)c2)cc1Cl 1875186871 FJGHTDOJPYMEFQ-BJMVGYQFSA-N 441.310 6.426 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3cccs3)c(OC)c2)cc1C 1875190522 UOMUHJZHFTXMSN-VQHVLOKHSA-N 436.529 5.426 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)[C@H]2CC[C@H]21 1880190843 MZKHEYBDKFWBJN-WZOHSFFVSA-N 441.572 5.105 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)N(c3ccccc3)c3ccccc3)cc21 1891735307 YLHKGLVALFWRTR-UHFFFAOYSA-N 441.531 5.994 30 10 IKEE C#CCNC(=O)c1ccc2cc(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)ccc2c1 1892428300 ITWNXAQBMQUDBH-UHFFFAOYSA-N 449.594 6.346 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2 1909655666 ULGXCYMYTFPXGF-VABKMULXSA-N 428.617 5.211 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](C)c1ccc(NC(=O)OC(C)(C)C)cc1 1922081483 XUANOXLLUDZVSU-OFVILXPXSA-N 438.612 6.278 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@@H](C)c1ccc(NC(=O)OC(C)(C)C)cc1)NCC 1922126768 VYKINTMALNJRBM-CJFMBICVSA-N 438.612 6.278 30 10 IKEE C#Cc1cccc([C@@H](CCNC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)O)c1 1952517170 NEKRTCDMJDNNRO-NRFANRHFSA-N 439.511 5.155 30 10 IKEE CC[C@H]1N(C(=O)OC(C)(C)C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1991578797 JJHLDGGBJBXXQJ-VGSWGCGISA-N 435.952 5.373 30 10 IKEE C=CCCCCCC[C@H](NCC)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2026015034 PMSANASKCPMXJA-BJKOFHAPSA-N 431.665 5.516 30 10 IKEE CCCCCCCCCCCCC(=O)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2034444245 ZORUXNQOJCSZIO-XMMPIXPASA-N 447.660 6.977 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)c(Cl)c1 2041579833 WNUPUGPEFWRUJI-IRXDYDNUSA-N 431.802 5.613 30 10 IKEE C=C(c1ccccc1)[C@@H](NCCC)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2076570488 ATPUTMPWWXXUPX-LOSJGSFVSA-N 437.628 5.093 30 10 IKEE CC1(c2nn(-c3cccc(C(F)(F)F)c3F)c(Br)c2C(F)(F)F)CC1 2079831197 FCAKLYNTPYLNSJ-UHFFFAOYSA-N 431.149 5.863 30 10 IKEE CCCOc1ccc([C@@H](n2nc(C(F)(F)F)c(C#N)c2Br)C(C)(C)C)cc1 2080077954 MANXLCPJOSXSFP-MRXNPFEDSA-N 444.295 5.960 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)C1CCC(F)(F)CC1 2087496983 AEFDGUUKYJMTSH-MRXNPFEDSA-N 429.305 5.908 30 10 IKEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(CN(Cc2ccccc2)[C@@H](C)C(C)(C)C)c1 2095899054 YPVSBMVBATZWNY-FQEVSTJZSA-N 437.433 5.431 30 10 IKEE C#Cc1cccc(NC(=O)c2cc(NC(=O)OC(C)(C)C)c(C)cc2Br)c1 2180071663 SVQMJXOTMZJSFW-UHFFFAOYSA-N 429.314 5.338 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H](Nc2ccc(Br)cc2C#N)C12CCCC2 2204292581 DZPUSWKSDNYKEU-SFHVURJKSA-N 434.378 5.445 30 10 IKEE C#C[C@@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)CC 2210709504 GYMYNODNZARHNR-GOHWNWGWSA-N 446.591 5.104 30 10 IKEE C=CC[C@](C)(CO)N(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1OC 2211047506 XQDOMJAQKPDLJT-MUUNZHRXSA-N 443.543 5.778 30 10 IKEE C=CCN(CC[C@@H](NCCC)c1ccc(Br)cc1Cl)C(=O)OC(C)(C)C 2230371199 LIGXAIKOPVTULN-GOSISDBHSA-N 445.829 5.956 30 10 IKEE CC(C)(C)OC(=O)NCC1(C[C@H](O)C#Cc2ccccc2Br)CCCCC1 2235739290 HBLSNRGAFRZXRU-GOSISDBHSA-N 436.390 5.027 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)C(C)(C)N(CC)C(=O)OC(C)(C)C 2235747819 SYYNOHCODWVUNN-IBGZPJMESA-N 437.422 5.204 30 10 IKEE Cc1sc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)[C@@H](C)C(C)C)c1C 2255660127 CGSJQQVCQNKANM-SFHVURJKSA-N 441.446 5.351 30 10 IKEE CCCCCCC[C@H](NCCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2256705302 YTJNTYPNPJOUCN-DEOSSOPVSA-N 446.676 6.169 30 10 IKEE C=CCCC1([C@H](NC)c2cccc(Br)c2Cl)CN(C(=O)OC(C)(C)C)C1 2266312757 MQLRLZOMEFJYBQ-QGZVFWFLSA-N 443.813 5.566 30 10 IKEE C=C(C)CCCC[C@H](N)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2271754332 HSNPJJDHSFXGEL-OALUTQOASA-N 425.411 5.349 30 10 IKEE CC(C)CN(Cc1ccccc1)C(=O)c1ccc2cc(B3OC(C)(C)C(C)(C)O3)ccc2c1 2281831392 WWTCXODEVPRRHX-UHFFFAOYSA-N 443.396 5.437 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)[C@@H]2Nc1ccc(C#N)cc1Br 2285782466 OKVMXMJLNGSBPL-IAKCYEPBSA-N 434.378 5.205 30 10 IKEE CCCCN1C(=O)C(=C2Sc3ccccc3N2CC)SC1=Nc1cc(C)ccc1C 2295178693 OEGIXPLFORDYJK-UHFFFAOYSA-N 437.634 6.468 30 10 IKEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc([C@H](N)C#Cc2cccc(Br)c2)cc1 2296223663 CBAPMKIAIJWKAV-FOIQADDNSA-N 429.358 5.086 30 10 IKEE CC1=CC(C)(C)NC(=S)N1c1cccc(C(=O)C=Cc2ccc(Cl)cc2Cl)c1 2297319289 ZVAWYBZJGZAZBX-UHFFFAOYSA-N 431.388 6.266 30 10 IKEE CSC(=NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCCCC1 2297563646 SYADGPTZTRATPH-UHFFFAOYSA-N 448.454 5.008 30 10 IKEE COc1ccc(C=Nc2cccc(C(=O)N(c3ccccc3)c3ccccc3)c2)cc1OC 2297710562 UELHEDWTJGWYNV-UHFFFAOYSA-N 436.511 6.433 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2308983862 KLQLDNPXNFYFJA-GYJMCELFSA-N 445.535 5.153 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@]12CCC[C@@]1(F)CN(C(=O)OC(C)(C)C)C2 2309512265 JKDXVOVLXMXSFK-DNRSQYFGSA-N 446.607 5.257 30 10 IKEE COc1ccc(COc2ccc3c(c2)OC(=Cc2cccc(Cl)c2Cl)C3=O)cc1 2314437652 SAEAZQYYLMZGHO-UHFFFAOYSA-N 427.283 6.197 30 10 IKEE O=C1C(=CC=Cc2ccccc2)SC(=NN=Cc2ccc(F)cc2)N1Cc1ccco1 2314819013 QAVUPNUAQBBVTH-UHFFFAOYSA-N 431.492 5.482 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1cc(Cl)cc(Br)c1F 2315459089 TZPNKHLTMBKBHC-ZBFHGGJFSA-N 435.765 5.362 30 10 IKEE Fc1ccc(Br)cc1C=Nn1c(SCCc2ccccc2)nnc1C1CC1 2320858482 YYHGYQIZVBOGCR-UHFFFAOYSA-N 445.361 5.274 30 10 IKEE CCCSc1nnc(CC)n1N=Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 2321028494 WWGUEOCCOINHNO-UHFFFAOYSA-N 444.988 5.466 30 10 IKEE Fc1ccc(COc2cccc(C=Nn3c(S)nnc3-c3ccccc3Cl)c2)cc1 2321993283 BDABEYHJKQBSMG-UHFFFAOYSA-N 438.915 5.488 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2)Oc2c1ccc1c2CN(C23CC4CC(CC(C4)C2)C3)CO1 2322238542 VBIOMCGYOXVGAO-UHFFFAOYSA-N 447.962 6.077 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2ccc(C)cc2)c1 2322373873 GERJUKHSYSTIJH-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE COc1ccccc1C=C1Oc2c(cc3c(c2C)OCN(C2CCCCCCC2)C3)C1=O 2322415354 KZLIBCWBNCQSIH-UHFFFAOYSA-N 433.548 5.885 30 10 IKEE Cc1ccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3cccc(Cl)c3)C4)C2=O)cc1 2322426740 LIRNUYOKHZJURJ-UHFFFAOYSA-N 431.919 5.925 30 10 IKEE COc1cccc(C=CC(=O)c2cccc(Cl)c2)c1OCC(=O)Nc1ccc(F)cc1 2322528122 UFUMPVSWVZPOJR-UHFFFAOYSA-N 439.870 5.401 30 10 IKEE COc1cccc2cc(C(=O)Oc3ccc4c(c3)OC(=Cc3ccc(C)cc3)C4=O)oc12 2322856851 AGJQVVUKMLWSON-UHFFFAOYSA-N 426.424 5.585 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccccc1OCC(=O)Nc1ccccc1 2322922857 PBDQYPSWBWREBU-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccccc1OCC(=O)Nc1ccc(C)cc1 2323022264 KGXUTDRWTULCFV-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE C=CCOc1c(OC)ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)c1Br 2323303230 YOJQACVRSDLIOT-UHFFFAOYSA-N 443.381 6.525 30 10 IKEE Cc1c(OC(=O)c2c(F)cccc2Cl)ccc2c1OC(=Cc1ccc(Cl)cc1)C2=O 2323358504 QVDRGOZDRTUOQZ-UHFFFAOYSA-N 443.257 6.276 30 10 IKEE CCOc1cc(C=Nn2c(S)nnc2Cc2ccc(F)cc2)cc(Cl)c1OC(C)C 2323544108 PYAIOZQKZHEAFP-UHFFFAOYSA-N 448.951 5.018 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OC(=O)c3cccc(OC(C)C)c3)ccc2C1=O 2323808034 SLJMANZTBYXERU-UHFFFAOYSA-N 444.483 5.708 30 10 IKEE C[C@H]1CCCCN1Cc1c(O)ccc2c1OC(=Cc1ccc(Br)cc1)C2=O 2324010284 WBXDRQYXZRHTOS-AWEZNQCLSA-N 428.326 5.145 30 10 IKEE Cc1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2cccc(F)c2)C3=O)c1C 2324498861 WMZKSSNHHSPNKT-KRWDZBQOSA-N 431.463 5.465 30 10 IKEE CCOc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3C)cs2)cc1OC 2324522168 XUNNJKZCCGSLDY-FQEVSTJZSA-N 432.545 5.724 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)c(C)c1 2324545567 BDNFCAYGDKNUCV-UHFFFAOYSA-N 427.544 6.142 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OCCc3ccccc3)c(Br)c2)c(C)c1 2324548269 WBKUVIVNGATLRG-UHFFFAOYSA-N 449.388 6.892 30 10 IKEE COc1ccc(OC)c(C=C2Oc3cc(OCCCCOc4ccccc4)ccc3C2=O)c1 2324574748 FCKPOGKLFVBAOO-UHFFFAOYSA-N 446.499 5.558 30 10 IKEE Cc1cc(OCCCCOc2ccccc2)cc2c1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)O2 2324583825 ANDJECRUWAGJPY-UHFFFAOYSA-N 445.471 5.757 30 10 IKEE Cc1c(OCCCCOc2ccccc2)ccc2c1OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2324584866 HXFNNPAWGNOAMM-UHFFFAOYSA-N 445.471 5.757 30 10 IKEE O=C1C(=Cc2c(Cl)cccc2Cl)Oc2cc(OCCOc3ccccc3F)ccc21 2324851231 AVBQRPLAZHMNPV-UHFFFAOYSA-N 445.273 6.207 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OC(=O)c1cc(Cl)ccc1OC 2325737546 BSJXJXPMZSMREJ-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1OC(=O)Cc1ccc(C)cc1 2325754974 GDJZCIKLQSIBSD-UHFFFAOYSA-N 444.527 5.673 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2ccc(OC)c(OC(=O)C3CCCC3)c2)cc1Cl 2325759361 NFUOJHCMSYJCLV-UHFFFAOYSA-N 444.911 5.358 30 10 IKEE CCCSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1cccn1C 2325884179 MIJGPFUYACHDKM-UHFFFAOYSA-N 433.581 5.166 30 10 IKEE CCSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1ccc(OC)cc1 2325908597 IJTAGHUXRFFTFZ-UHFFFAOYSA-N 437.352 5.167 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1ccccc1O 2325910023 MIDPGMAFUOTGFV-UHFFFAOYSA-N 435.336 5.030 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(OC)c(OCC)c1 2326252052 RKYFRYZNLHNAIK-UHFFFAOYSA-N 442.560 5.342 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(O)c(Cl)c1 2326514795 CLNBZGQWAYGCIS-UHFFFAOYSA-N 441.771 5.681 30 10 IKEE C=C(C)CSc1nnc(COc2c(C)cccc2C)n1N=Cc1ccccc1Cl 2328557118 GSWWJTYWQAXNAT-UHFFFAOYSA-N 426.973 5.678 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccc(C)cc3)nnc2-c2ccccc2Cl)c1 2329523817 VYDLXDWTVXTAIK-UHFFFAOYSA-N 448.979 6.090 30 10 IKEE CCCSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1cc(Br)ccc1F 2330123560 PBJLVYWLLVXVIW-AWEZNQCLSA-N 447.377 5.716 30 10 IKEE CCc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccc(F)cc2)cc1 2330233082 WSOJYTAPPGVCPE-UHFFFAOYSA-N 436.600 6.277 30 10 IKEE C(=Nn1c(Cc2cccs2)nnc1SCc1cccc2ccccc12)c1cccnc1 2330422118 STSTYRZYAWZBLA-UHFFFAOYSA-N 441.585 5.653 30 10 IKEE Cc1ccc(CSc2nnc([C@@H]3CCCO3)n2N=Cc2ccc(C(C)(C)C)cc2)cc1 2330888942 CPVFSJDOTLBXJC-QFIPXVFZSA-N 434.609 5.910 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)c1ccc(C)cc1 2331134722 XHYDNNDNAVURMO-UHFFFAOYSA-N 446.930 6.501 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OC(=O)Cc1ccccc1Cl 2331158253 WPLNXWREWVDLQA-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccc(Cl)cc3)cc2)cc1 2331189560 YAAKXCHAKOLALD-UHFFFAOYSA-N 436.891 5.619 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc(Cl)c1OC(=O)C(C)C 2331237801 GBGMAOUKKHLIJF-UHFFFAOYSA-N 427.711 6.113 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccccc1-c1ccccc1 2331293451 MZYVGOIECAZHCW-UHFFFAOYSA-N 448.518 6.786 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3ccncc3)c(OC)c2)cc1 2331300475 IRZRLGOQDVRFRH-UHFFFAOYSA-N 447.487 5.003 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCC3)n2N=Cc2cccc3ccccc23)c1 2331523530 FJXUZQQTWDVCMD-UHFFFAOYSA-N 426.589 6.490 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2ccccc2)c(Cl)c1 2331876596 MBOGLBMOMZJRGB-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE CC#CCN(C[C@@H](NCC)c1ccc(Br)c(Cl)c1F)C(=O)OC(C)(C)C 2337900441 FTIMJCZSDDIEGB-OAHLLOKOSA-N 447.776 5.153 30 10 IKEE CCOC(=O)C1=C(Nc2ccccc2)S/C(=C/c2ccc(Sc3ccccc3)o2)C1=O 3005072 LVCGAFLGEIVVCB-XDJHFCHBSA-N 449.553 5.974 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(Cl)cc2)cc1 5924757 PJIPEHRQFPJGGO-HXUWFJFHSA-N 439.920 5.583 30 10 IKEE COc1ccc(OC)c2sc(N(Cc3ccccc3)C(=O)c3ccc(C#N)cc3)nc12 9541182 NZFAXQSTEGFVMJ-UHFFFAOYSA-N 429.501 5.032 30 10 IKEE C=CCOc1ccc(C(=O)Nc2cccc(OCCCCCC)c2)cc1Br 9696344 HKWAUTQZYWNPAC-UHFFFAOYSA-N 432.358 6.225 30 10 IKEE C=C1C[C@]2(CO)CC[C@@H]3[C@@H](CC[C@H]4[C@@]3(C)CC[C@@H]3C(C)(C)C(=O)CC[C@@]34C)[C@H]2[C@@H](C)[C@@H]1C 31542243 SKTKWKQBCTYFMA-IDBZYIMBSA-N 440.712 7.061 30 10 IKEE C=CCOc1c(Br)cc(/C=C2/N=C(SCC)SC2=O)cc1OCC 33430061 OPSKPYYIZGITNZ-UKTHLTGXSA-N 428.373 5.136 30 10 IKEE COc1cccc(/C(C)=N\Nc2ccc(C(=O)c3c(C)cc4ccccn34)cc2[N+](=O)[O-])c1 33714706 LTHURSJWEAWVLK-ONUIUJJFSA-N 442.475 5.232 30 10 IKEE C=CCN(CC(=O)N(Cc1ccccc1)Cc1cccs1)C(=O)Nc1cccc(OC)c1 33914459 LEMRLZBCLFPCCM-UHFFFAOYSA-N 449.576 5.006 30 10 IKEE N#Cc1ccc(-c2nc(-c3ccc4c(c3)Sc3ccccc3C(=O)N4C3CC3)no2)cc1 35453836 LWYMPALLEMYFKX-UHFFFAOYSA-N 436.496 5.549 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)S/C1=N/c1ccccn1 39862518 LEMCLSHLNJYVLM-GBPBPLIESA-N 441.556 5.759 30 10 IKEE C=CCc1ccc(OCCCCn2c(-c3cccc(Cl)c3)nc3ccccc32)c(OC)c1 40250476 IPNXYOLDQMJUQR-UHFFFAOYSA-N 446.978 6.953 30 10 IKEE COc1cccc(/C(CSc2nc3ccccc3[nH]2)=N\Nc2cccc([N+](=O)[O-])c2)c1 59460561 WBGJZRLHJFNUOH-QLYXXIJNSA-N 433.493 5.088 30 10 IKEE CCCN(CCC)C[C@@H](O)Cn1cc(/C=C\C(=O)c2ccc(OC)cc2)c2ccccc21 96498673 FEHQBUXEGJMXLC-MGYADMTCSA-N 434.580 5.029 30 10 IKEE C/C=C\Oc1ccc(C(=O)/C(=C/c2ccc(C(=O)OC)cc2)c2nc3ccccc3o2)cc1 98037243 MQZYHEQYODWQPD-WQTBJDDTSA-N 439.467 5.950 30 10 IKEE Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)O/C(=C/c2ccc(C(C)(C)C)cc2)C3=O)cc1 103023862 XKUJLRBSDHYVJV-BUVRLJJBSA-N 448.540 5.676 30 10 IKEE Cc1ccc(COc2ccccc2/C=N\n2c(S)nnc2Cc2ccc(F)cc2)cc1 169913587 BSZIVXOBJZTGFI-YSMPRRRNSA-N 432.524 5.066 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@@H]1c1ccc(O)cc1 169960206 SULOKTCRMJIUDM-XMMPIXPASA-N 443.499 5.109 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccc(O)cc2)c1 169961682 UPQCIVWVMYZJPF-QFIPXVFZSA-N 433.891 5.445 30 10 IKEE Cc1cccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccc(Cl)cc2)c1 169969922 JBKRRSUAWCDQNP-DEOSSOPVSA-N 431.919 5.750 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2cccs2)cc1Cl 169986441 LVHMHXGLTNHLJC-OAQYLSRUSA-N 448.931 5.974 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@H]2c2cccs2)cc1 169986683 TUKBHZOTKCCAQF-FQEVSTJZSA-N 439.920 5.501 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccccn2)cc1 169991959 NAQUATQSLGYFPN-SANMLTNESA-N 448.522 6.141 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccccn2)cc1C 169998920 YSBCSSBXITXWNH-OAQYLSRUSA-N 441.512 5.091 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2cccc(C)c2)c1 170036108 MRCUTVVYNJIULL-NRFANRHFSA-N 448.544 5.250 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2ccccc2)cc1 170048994 YYYRLKOFMUPYRC-DEOSSOPVSA-N 441.483 5.322 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)cc1 170063594 RBHGLHCGKFMEPA-OAQYLSRUSA-N 432.838 5.134 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccco2)ccc1F 170096087 YWUUFRGETYMWJF-HSZRJFAPSA-N 444.462 5.029 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2cccs2)c1 170160649 BZZHKQHCTKFXBJ-QFIPXVFZSA-N 449.528 5.165 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccs2)cc1 170162506 VMQZWUKLLXHIMQ-OAQYLSRUSA-N 437.517 5.154 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@H]1c1cccnc1 170186985 JCYKDOLDLKKKHT-QHCPKHFHSA-N 442.515 5.107 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2cccnc2)c1 170187384 DZOONKJXBADJID-VWLOTQADSA-N 438.527 5.360 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2)cc1C 170231544 WSXASXBIDDEXKW-XMMPIXPASA-N 433.548 5.695 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(Cl)cc1)c1cccc2ccccc12 170237029 MZWPGEGVZCRERP-HSZRJFAPSA-N 431.919 6.014 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1c[nH]c2ccccc12)c1ccc2c(c1)CCCO2 170256587 ACPDKIIQAZGSHC-DEOSSOPVSA-N 442.515 5.014 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccc(O)c2)cc1C 170258257 ZKDOCVFJRMALOT-HSZRJFAPSA-N 447.462 5.021 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@H]1c1ccc(CC)cc1 170268186 NWAWPIAQQPYFMP-RUZDIDTESA-N 449.591 6.052 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2C)ccc1OC(C)C 170272242 DJHJHCGEBBMERQ-VWLOTQADSA-N 441.527 5.874 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCCC)[C@@H]2c2ccco2)cc1 170294920 URYIGESHNVPWQW-JOCHJYFZSA-N 425.525 5.617 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2cccc(C)c2C)o1 170302415 QACPOEJRMGFAJC-HSZRJFAPSA-N 427.456 5.734 30 10 IKEE C=CCNC(=O)c1cccc2c1N[C@H](c1ccc3c(c1)c1ccccc1n3CC)[C@H]1CC=C[C@@H]21 226655424 VIKGYRWXPGDTTC-WOIMOHSLSA-N 447.582 6.557 30 10 IKEE O=C(Nc1cccc(C#Cc2ccccc2)c1)c1ccccc1SCc1cscn1 247759593 ZWFQURUFFNDMJE-UHFFFAOYSA-N 426.566 6.088 30 10 IKEE Cc1ccc(N=C2S/C(=C3/C(=O)N(C)c4ccccc43)C(=O)N2c2ccc(C)cc2)cc1 252640700 YWMICQGFRCHBFS-OHHJCTMOSA-N 439.540 5.459 30 10 IKEE COc1cccc(/C=C2/SC(=Nc3ccc(C)cc3)N(CCc3ccccc3)C2=O)c1 254396453 RZNALYVPKBLOEL-ZNCAUEQNSA-N 428.557 5.850 30 10 IKEE C(=NNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)c1ccc2ccccc2c1 254503719 BYBWEFGYDAXGQI-UHFFFAOYSA-N 431.503 5.958 30 10 IKEE C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=NN=Cc1ccc(OC(F)F)cc1 254866020 VGYMEBWQLDCBIR-ONJIFJTESA-N 438.518 6.325 30 10 IKEE CCCCCCCOc1ccc(/C=C2/SC(=S)N(N=Cc3ccccc3)C2=O)cc1 254868786 COIIFHAEXFDIGO-OFTMHHEGSA-N 438.618 6.271 30 10 IKEE CCOc1cc2c3c(c1)C(=Nc1ccc(Oc4ccccc4)cc1)C(=O)N3C(C)(C)C=C2C 254903730 KQBBOLGGRBDANO-UHFFFAOYSA-N 438.527 6.541 30 10 IKEE C=C(CC[C@@H](C)[C@@H]1[C@@H](O)C[C@@H]2[C@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 257549904 TYAFBMTZMSJDIO-NNNDRETISA-N 430.673 5.496 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2c(C)n(C)c3ccccc23)cc1 526517145 TYDJXBOUGVPMRJ-AREMUKBSSA-N 449.510 5.424 30 10 IKEE COc1cccc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2C#N)c1OC 526605646 DJBUOSCJYXBPGS-JOCHJYFZSA-N 446.890 5.286 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccco2)cc1OCC 526607831 XLIOABSOPZYHOW-QHCPKHFHSA-N 430.460 5.006 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1cccc(C(F)(F)F)c1 526825632 HKWFMENGTFETNS-ZMFRSBBQSA-N 436.478 5.953 30 10 IKEE CC(C)(C)c1ccc(S(=O)(=O)OC2CCC(NC(=O)CCC3CCCCC3)CC2)cc1 586508547 ZOCRHMZKXYKAKX-UHFFFAOYSA-N 449.657 5.477 30 10 IKEE CC(C)[C@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 698378234 PNXFBWOVKKLWDL-PMACEKPBSA-N 431.577 5.113 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@]1(C#N)CCc2cc(Br)ccc21 698849442 DLZHVDPIECZGBN-NRFANRHFSA-N 447.760 6.209 30 10 IKEE CCCCCCCC[C@@H](NC)c1ccc(I)c(Br)c1 721646967 FZMOJJHRFJVXEL-MRXNPFEDSA-N 438.191 6.065 30 10 IKEE CCOC(=O)c1ccc(-c2ccc(/C=C/C(=O)c3ccc(C(F)(F)F)nc3O)o2)cc1 731564436 FFTVCOLHVMIKIZ-JXMROGBWSA-N 431.366 5.139 30 10 IKEE C=CCOc1c(Br)cc(/C=C\C(=O)c2ccc3nc(O)oc3c2)cc1OCC 794712988 BMHDFRBMFKGYMW-YVMONPNESA-N 444.281 5.156 30 10 IKEE Cc1ccc(N=C(SCc2c(C)c(C)c(C)c(C)c2C)N2CCOCC2)cc1Cl 1088728633 MZOKJBHGGRWXLQ-UHFFFAOYSA-N 431.045 6.444 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(-c3c(Cl)cccc3Cl)o2)SC1=Nc1cccnc1 1772730273 ASUBCVXITAFUDS-SPXSAIPKSA-N 444.343 6.272 30 10 IKEE C=CCN1C(=O)/C(=C(\C)c2ccc(O)cc2)SC1=Nc1nc(-c2ccccc2)cs1 1772737372 MLXKKBPYBXWEQA-LJVHWXJXSA-N 433.558 5.696 30 10 IKEE CC(C)(C)c1ccc(C=NN=C2NC(=O)[C@@H](Cc3ccc(Cl)cc3Cl)S2)cc1 1772742282 KPFHBVUEUCHSSO-GOSISDBHSA-N 434.392 5.455 30 10 IKEE CCCCCCn1c2ccccc2c2nnc(NN=Cc3cc(OC)ccc3OC)nc21 1772764976 LZCBIMHHFHWRCV-UHFFFAOYSA-N 432.528 5.023 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc3c(OC(=O)Nc4cc(F)ccc4F)cccc23)c1 1858780348 WQBZLPBANPFTIZ-UHFFFAOYSA-N 443.409 5.853 30 10 IKEE CCCCCCCOc1cccnc1NC(=O)Nc1ccc2c(c1)[nH]c1c(CC)cccc12 1858854018 NYFDOGCRMNCACH-UHFFFAOYSA-N 444.579 7.272 30 10 IKEE COc1ccc(-c2nc3ccc(C(=O)Nc4oc5c(c4C#N)CCCC5)cc3o2)cc1OC 1859755809 BLAUTDPEEUQFAF-UHFFFAOYSA-N 443.459 5.108 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccccc2)c1)C(=O)Nc1cc(Cl)ccc1Cl 1860729851 RHOJNMXTCVCROS-FMIVXFBMSA-N 426.299 5.793 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)/C=C/c1ccccc1Cl 1861557207 FIATYLSQEXVPRP-AWXSUDRSSA-N 435.052 6.285 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)c1ccc2nc[nH]c2c1)c1ccccc1 1861753616 DPJSTBBCFLOLOL-DEOSSOPVSA-N 434.584 5.291 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(OC)cc2)n(-c2ccc(Cl)c(Cl)c2)n1 1862374949 HRAXNJQSYQHRMK-UHFFFAOYSA-N 442.346 5.669 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccccc2F)cc1C 1862401902 MKLZSTCGWRBBAG-HSZRJFAPSA-N 449.453 5.060 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@H]1c1cccc(F)c1)c1ccc(F)cc1F 1862413486 DYVKIZAOXLYRAF-NRFANRHFSA-N 441.380 5.022 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C(C)C)cc1 1862438624 CROIBVLFEWRYCN-OAQYLSRUSA-N 427.928 5.506 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC2=CCCCC2)c1 1862473513 CHIJFBDBHQGTFV-XMMPIXPASA-N 431.532 5.472 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1c(Cl)cccc1Cl 1862482800 VENYHDPGZNCYQY-FQEVSTJZSA-N 432.347 6.070 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccc(F)c1 1862488581 CQSGXPSQDRBVTO-QHCPKHFHSA-N 439.527 5.228 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cc(Cl)cc(Cl)c1 1862498871 SNASICOBBFILLW-XOBRGWDASA-N 432.347 5.987 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccccc1C 1862507760 SUANJBBFOFQULH-RDPSFJRHSA-N 437.555 6.380 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 1862538080 CTMUUKPRMUALSD-NRFANRHFSA-N 444.358 6.077 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862539558 YNEZCLMATRBQDY-MHECFPHRSA-N 435.564 5.805 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc2cc[nH]c2c1 1862677802 GUIFELPZLBUKAW-FYSMJZIKSA-N 440.474 5.647 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2ccc(C)cc2)cc1 1862687246 IHBJUBJTZSXJLV-DEOSSOPVSA-N 427.500 5.091 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc(F)c1 1862687562 MQCGUNDNTBWIAY-REWPJTCUSA-N 439.527 5.772 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2Cl)cc1 1862688822 BLFPCEUYJBAADW-NRFANRHFSA-N 425.912 5.260 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 1862689258 LXXMPUBKRPYRJS-QMHKHESXSA-N 447.918 5.688 30 10 IKEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@@H]2c2ccccc2)cc1 1862731588 XMYWVTQDFSQEQH-RUZDIDTESA-N 449.591 6.414 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc3ccccc3c2)=C(c2ccc(F)cc2)C1=O 1863141573 HYDUGBVJZPUQKH-UHFFFAOYSA-N 444.550 6.531 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc3c[nH]nc3c2)=C(c2ccc(C)cc2)C1=O 1863264556 RQRZSLGGCHSOOZ-UHFFFAOYSA-N 430.552 5.424 30 10 IKEE CCCC[C@@H](NC(=O)[C@H](c1ccc(OC)cc1)C1CCCC1)C(=O)Nc1cccc(C#N)c1 1867010154 CAAFDPVSORVDLR-RPBOFIJWSA-N 447.579 5.154 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3ccccc3C2)nc(-c2ccc(OCC)cc2)n1 1867996796 JDJIETPMWFBVMI-UHFFFAOYSA-N 426.564 5.283 30 10 IKEE CCCc1nc(Nc2cccc(C#N)c2)cc(N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)n1 1868378700 RJWBGENARKQYCL-XMMPIXPASA-N 439.607 6.683 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(Cl)c(Cl)c2)cn1CCCC 1870404861 VTHZVZQKSGFIGJ-UHFFFAOYSA-N 435.395 5.708 30 10 IKEE C=CCOc1cn(Cc2ccc(Cl)cc2)c(CNc2ccc(C(F)(F)F)cc2)cc1=O 1870813390 JFCHXTPGSCCIDG-UHFFFAOYSA-N 448.872 5.746 30 10 IKEE CCCCCCCOc1cn(CCC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870832020 NCGHFYONNYKEFH-UHFFFAOYSA-N 447.623 6.963 30 10 IKEE C=CCn1cc(OCCCOc2ccc(C)cc2)c(=O)cc1CNc1cc(C)ccc1C 1871216295 OBWAXDSNVQABRI-UHFFFAOYSA-N 432.564 5.420 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OC(=O)/C(Cl)=C/c4ccccc4)ccc3C2=O)c1 1871377320 GANZKAODFVPGRD-GOIUUMNHSA-N 432.859 5.497 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(OCC)cc2)C3=O)c1 1871388609 FOXHEKWYKRFYNG-MYYYXRDXSA-N 442.467 5.486 30 10 IKEE Cc1cc(OCCCCOc2ccccc2)cc2c1C(=O)/C(=C/c1ccc(Cl)cc1)O2 1871403631 QLBKKVIKAMPFNQ-JLPGSUDCSA-N 434.919 6.503 30 10 IKEE Cc1c(OCCOc2ccc(Cl)cc2)ccc2c1O/C(=C\c1ccc(N(C)C)cc1)C2=O 1871414298 FHTRLCDBDJDEJB-JLPGSUDCSA-N 449.934 5.788 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OCCOc3ccc(C(C)(C)C)cc3)ccc2C1=O 1871414731 MDHBKDHDPBLIDS-KQWNVCNZSA-N 434.557 6.428 30 10 IKEE C[C@@H](Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O)C(=O)Nc1ccc(Cl)cc1 1871415342 XTFSVPWFAOCWSG-UAAGNOOKSA-N 425.893 5.424 30 10 IKEE Cc1c(OCC(=O)Nc2ccc3ccccc3c2)ccc2c1O/C(=C\c1ccco1)C2=O 1871420130 WQJRAJYEFCYQOD-UCQKPKSFSA-N 425.440 5.375 30 10 IKEE COC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\c2ccc(Cl)c(Cl)c2)C3=O)o1 1871438585 GMSCLKOSXFDMMY-UKWGHVSLSA-N 445.254 5.568 30 10 IKEE CCCCCCCCCCN=c1nc(N(C)CCCC)[nH]c(=Nc2cccc(C)c2)[nH]1 1871650859 LBFGQNCRNJMSMX-UHFFFAOYSA-N 426.653 5.556 30 10 IKEE C=CCN(CC=C)c1nc(=NCCCCCC)nc(Nc2ccc(N(CC)CC)cc2)[nH]1 1871701060 WWVJMKBVKKGWFO-UHFFFAOYSA-N 437.636 5.054 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(F)cc1)[C@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1871873741 IXYIGSVXSAUOAS-HXOBKFHXSA-N 446.588 5.063 30 10 IKEE C=C(C)CN([C@H](C)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872448775 UFYKAGSZNCYJEE-LJQANCHMSA-N 449.016 5.168 30 10 IKEE CCCCC1CCC(C(=O)[C@H](C#N)c2nc(-c3cccc(Br)c3)cs2)CC1 1872763479 NBXQOJFOOXVDIZ-RJYAGPCLSA-N 445.426 6.745 30 10 IKEE COc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1OC 1872769650 XMCDVDDILPQUJR-AWEZNQCLSA-N 447.343 5.553 30 10 IKEE COc1ccc(C)cc1-c1csc([C@H](C#N)C(=O)CCCOc2ccccc2Cl)n1 1872771250 PIAUXNUUNMFHLW-QGZVFWFLSA-N 440.952 5.816 30 10 IKEE Cc1cc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)ccc1F 1872773325 YSWDXBNQDXEGSU-DOMZBBRYSA-N 449.334 6.208 30 10 IKEE CCCCC1CCC(C(=O)[C@H](C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)CC1 1872786477 LLIQXALCWHRDRZ-UHYCVJNDSA-N 445.028 6.953 30 10 IKEE C=CCc1ccccc1OCc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1 1872870848 VJXQCISUZLBLPX-UHFFFAOYSA-N 443.543 5.210 30 10 IKEE CCCCCCCCNC(=O)c1cc2c(N3CCCCCC3)ncnc2n1CC(C)C 1873577329 MJVMLKXXVLNOAS-UHFFFAOYSA-N 427.637 5.558 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C(C)C)cc2)cc2c(NCCC3=CCCCC3)ncnc21 1873638948 DDXBPODRBGKSNL-UHFFFAOYSA-N 443.595 6.295 30 10 IKEE CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1ccccc1OC 1874202503 GBETYIOCPWGBFM-MFKUBSTISA-N 438.597 5.466 30 10 IKEE CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1ccccc1Cl 1874202540 HSJSVECKAHJZCH-AFUMVMLFSA-N 443.016 6.111 30 10 IKEE C=C(C)CSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1ccccc1O 1874206125 LHLASRLHGISDOU-AUEPDCJTSA-N 449.363 5.420 30 10 IKEE CCSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1ccc(CC)cc1 1874212400 LFWMGONPWLCENZ-HYARGMPZSA-N 429.387 5.188 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccc(C)cc3)n2/N=C/c2ccc(O)cc2)cc1 1874347899 LDDJXRNUSYHQNY-WGOQTCKBSA-N 444.560 5.066 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2)n1/N=C/c1cccc(O)c1 1874362460 GITCQSQNRBQMBR-YZSQISJMSA-N 428.561 5.252 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cc(C)ccc3C)n2/N=C/c2cccc(F)c2)cc1 1874389584 UOOLPPUPTVSFKP-LQKURTRISA-N 444.579 6.108 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2)n1/N=C/c1cccc(OC)c1OCC 1874402510 FAYVFGLZGUPSDI-PCLIKHOPSA-N 436.581 5.021 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(F)cc2)n1/N=C/c1c(F)cccc1Cl 1874437294 UAVPACSSYLCMHU-BRJLIKDPSA-N 434.943 5.973 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccc(Cl)cc2)c1 1874440771 RVEASNRVQQSNOE-ZMOGYAJESA-N 428.989 5.709 30 10 IKEE C=CCSc1nnc(C2CCCC2)n1/N=C/c1ccc(OCCCCC)c(OC)c1 1874456914 QXSRVPDNACEFPI-JJIBRWJFSA-N 428.602 5.674 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccccc3C)nnc2-c2ccco2)cc1OC 1874465364 FKRYEVFGFFQCJD-ZVHZXABRSA-N 434.521 5.038 30 10 IKEE CC(C)(C)c1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874484208 KQQRFCIDLOEJMH-WSDLNYQXSA-N 429.933 5.312 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C)n2/N=C/c2ccc(Cl)cc2Cl)c(C)c1 1874534033 ODIGHMOMZMZWOE-AUEPDCJTSA-N 448.379 5.123 30 10 IKEE CSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1/N=C/c1ccccc1C 1874540006 DDTGXFRVOGSELW-YDZHTSKRSA-N 435.380 5.509 30 10 IKEE Sc1nnc(C2CCC2)n1/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 1874559543 XUNJTTCGMKEOLX-FOKLQQMPSA-N 433.364 5.602 30 10 IKEE Cc1ccc(COc2ccccc2/C=N/n2c(S)nnc2-c2ccccc2Cl)cc1 1874562377 RTUFYTBLGUQDRK-AFUMVMLFSA-N 434.952 5.657 30 10 IKEE CCCCCOc1ccccc1/C=N/n1c(S)nnc1C1CCC(CCCC)CC1 1874563656 QAPYPDSBBXAZEB-XIEYBQDHSA-N 428.646 6.482 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(S)nnc1CCCOc1c(C)cccc1C 1874568051 FHXXSRQHGNOPTD-WGOQTCKBSA-N 446.576 5.239 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccccc1/C=C/C(=O)c1ccc2ccccc2c1 1874571196 AOYCKFHPHDSUMC-WUKNDPDISA-N 435.523 6.370 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2ccc([N+](=O)[O-])cc2)cc1 1874574128 WLYDTUSXHRXQNO-OBGWFSINSA-N 445.515 6.421 30 10 IKEE CCCNC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1cc(C(C)(C)C)ccc1OC 1874585366 UYJLJIPBHJCDHP-JXMROGBWSA-N 443.971 5.447 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OCc2cccc(Cl)c2)c1 1874597918 LANZFDZTHNPEDR-ACCUITESSA-N 434.963 7.121 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Br)cc2)cc(OC)c1OCC(=C)C 1874608720 DEHBTCZJOIJKPO-KPKJPENVSA-N 427.338 6.037 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OCC(=O)Nc1ccc(F)cc1 1874613833 PSHSQWKRTWKATL-XNTDXEJSSA-N 445.490 5.476 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)cc1F 1874621786 USHROEKBWBORTR-UKTHLTGXSA-N 433.479 5.365 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)NCc3ccco3)cc2)c2ccccc12 1874638055 GQJNGKKSPBGKAE-GXDHUFHOSA-N 441.483 5.033 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3c(C)cccc3C)c2)cc1OC 1874694072 JZKCUAYCXVIPFN-ACCUITESSA-N 446.499 5.201 30 10 IKEE Cc1ccccc1CCC(=O)Oc1cccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1 1874695459 BWCOQCOJLXSXIY-UKTHLTGXSA-N 439.338 6.736 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3sccc3C)c(OC)c2)c1 1875102043 XEBQASSISIHTPC-BQYQJAHWSA-N 442.920 5.842 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1Br 1875117773 MBYHDTAKBDSBES-VZUCSPMQSA-N 432.270 5.349 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1OC(=O)c1ccc(C)cc1 1875135899 NYRCFDLVZNKTTH-NTEUORMPSA-N 445.471 5.726 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1OCC 1875147907 RGYUAACRGUSFCD-FMIVXFBMSA-N 438.520 5.628 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)c2cccnc2)c([N+](=O)[O-])c1 1875184221 OLYCSNNXKIMKBJ-DHZHZOJOSA-N 444.487 5.711 30 10 IKEE CC1(C)CCC[C@]1(C#N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875631826 BNCJBMPZGCJFRX-PXJZQJOASA-N 441.571 6.598 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1945527372 SPLGIESRWKMHHB-MNEFBYGVSA-N 449.979 5.619 30 10 IKEE CCCCCCCC[C@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCC 1947479637 PXQMSLZCGRYFBF-RPWUZVMVSA-N 434.665 6.215 30 10 IKEE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1949712957 FPYSDBJQBBNPLY-FZWXVRBQSA-N 439.625 5.536 30 10 IKEE CCCN[C@H](CC#C[Si](C)(C)C)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2014171790 USYSFYWNRNQLCX-YMPZKCBVSA-N 446.708 5.124 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@H](C#N)c1cc(Cl)cc(Br)c1 2027902014 STHQCNMVHFDYSD-MRXNPFEDSA-N 441.778 6.166 30 10 IKEE O=C(C=Cc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(C2CCCCC2)cc1 2040455184 QJJLAWDQDJZGRS-UHFFFAOYSA-N 443.974 7.536 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@@]2(C)CCN2C(=O)OC(C)(C)C)c1 2045190601 KXJUSCMUDZXDTJ-DNQXCXABSA-N 445.560 5.118 30 10 IKEE O=C(C=Cc1ccc(Br)cc1)c1ccc(Nc2nc3ccccc3s2)cc1 2053621366 DMVLRCOHWFLPRP-UHFFFAOYSA-N 435.346 6.699 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@]2(C)CCCN2C(=O)OC(C)(C)C)cc1 2076983788 LVLVHKLSBZNHDU-NTKDMRAZSA-N 445.560 5.118 30 10 IKEE CC(C)(C)OC(=O)c1nn(-c2ccc(F)cc2C(F)(F)F)c(C(F)(F)F)c1Cl 2079182612 XEMYUGGDZMXIJY-UHFFFAOYSA-N 432.723 5.658 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)C[C@H]2C[C@H]1CC2(F)F 2101410766 IVTNRDDYBPDCAT-VEVIJQCQSA-N 427.289 5.518 30 10 IKEE Brc1csc(CN=C2N[C@@H](c3cccs3)CS2)c1Br 2119010653 UIXWQIPTMSIIKN-MRVPVSSYSA-N 438.235 5.268 30 10 IKEE CC1(C)CC[C@H](Nc2cc(Br)cc(C#N)c2)[C@H](CNC(=O)OC(C)(C)C)C1 2162313224 QVQSSYMLRWNVBK-YJBOKZPZSA-N 436.394 5.452 30 10 IKEE CCCN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cc(Br)cc(C#N)c1 2174810733 POXRWDZUINLHAX-UHFFFAOYSA-N 436.394 5.184 30 10 IKEE C=C(Cl)C[C@H](NCCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229124362 SESPMYKTEZUHAF-ROUUACIJSA-N 445.829 5.396 30 10 IKEE C[C@@H](C(=O)C#Cc1ccccc1Br)c1ccc(NC(=O)OC(C)(C)C)cc1 2235729029 SKTMTGHWKBCERX-OAHLLOKOSA-N 428.326 5.520 30 10 IKEE C[C@H](CC(=O)C#Cc1ccccc1Br)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2235731420 PZLGRIWYRQOYTM-AEFFLSMTSA-N 434.374 5.043 30 10 IKEE CCc1ccc(C#C[C@H](O)c2ccc(Br)cc2NC(=O)OC(C)(C)C)cc1 2239669521 QLIFNPMEUPLPDW-FQEVSTJZSA-N 430.342 5.444 30 10 IKEE Cc1c(Br)sc([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)c1C 2254667990 WDNRPZMFZILISK-OAHLLOKOSA-N 427.408 6.262 30 10 IKEE CCC#C[C@H](OCCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2275973508 PSZLPHLVNDUBRT-VWLOTQADSA-N 444.527 5.790 30 10 IKEE CCOc1ccc2c(c1)SC(=C1C(=O)c3ccc(Cl)c4c(Cl)ccc1c34)C2=O 2293308583 AENOFEOICSGDEY-UHFFFAOYSA-N 427.308 6.441 30 10 IKEE CCCCCCCC1=NN2C(=N)C(=Cc3cc(Br)ccc3O)C(=O)N=C2S1 2293476874 DRUBGDOYKQFQPZ-UHFFFAOYSA-N 449.374 5.134 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)C1(NC(=O)OC(C)(C)C)CCCCC1 2296308843 NJKLDGMAAHOUKC-LJQANCHMSA-N 435.406 5.006 30 10 IKEE O=C1C(=O)N(c2ccc(F)cc2)[C@H](c2ccc(Cl)cc2)C1=C(O)c1ccc(Cl)cc1 2296358433 CDPGZSMPWXGRIE-HXUWFJFHSA-N 442.273 5.759 30 10 IKEE O=C(C=Cc1ccccc1)Oc1ccc2c(c1)OC(=Cc1ccc(Br)cc1)C2=O 2297471554 QTPQJWDEWHKIOE-UHFFFAOYSA-N 447.284 5.684 30 10 IKEE COc1ccc(C=CC(=O)Oc2ccc(C=Nc3cccc4ccccc34)cc2)cc1OC 2297710358 STOWESKKLWFUEA-UHFFFAOYSA-N 437.495 6.226 30 10 IKEE C=CC[C@H](Oc1cc(Cl)c(Br)cc1N)[C@@H]1CCN1C(=O)OC(C)(C)C 2314301464 SEVIDEOUQWJQJE-GJZGRUSLSA-N 431.758 5.018 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cccc(OCc2ccccc2)c1 2314455762 RKUMRRULOYVIBD-RPBOFIJWSA-N 438.612 6.166 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@]1(C)CCCCN1C(=O)OC(C)(C)C 2318947635 WPSLHJBMRAGHFO-CJFMBICVSA-N 443.588 5.808 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 2319204209 NOIGHAQGTHFNJY-SFHLNBCPSA-N 443.588 5.712 30 10 IKEE C=C(C)CN1C(=O)[C@@H](C)Oc2ccc(NC(=O)C=Cc3ccc(Cl)cc3Cl)cc21 2320464713 DRFVRXUWRYRMFX-CQSZACIVSA-N 431.319 5.335 30 10 IKEE CCCSc1nnc(CC)n1N=Cc1ccc(OCCCc2ccccc2)c(OC)c1 2321028490 VCJJBMLVICBKFM-UHFFFAOYSA-N 438.597 5.245 30 10 IKEE Cc1cc(OCc2ccc(F)cc2Cl)cc2c1C(=O)C(=Cc1cccc(Cl)c1)O2 2321862711 BTFBJYRYSIDYCI-UHFFFAOYSA-N 429.274 6.636 30 10 IKEE Cc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccc(Cl)cc2)C4)cc1 2321958264 ULVMRMJOVDVWJB-UHFFFAOYSA-N 431.919 5.925 30 10 IKEE Cc1ccc(COc2cccc(C=Nn3c(S)nnc3[C@@H](C)c3ccccc3)c2)cc1 2321962126 PZULQYLSTIFLNA-IBGZPJMESA-N 428.561 5.488 30 10 IKEE Cc1ccc(OCc2nnc(S)n2N=Cc2c(O)ccc3ccccc23)c(C(C)(C)C)c1 2322260376 HSLWUBZJPWDWTB-UHFFFAOYSA-N 446.576 5.493 30 10 IKEE CCc1ccc(C(=O)C=Cc2c(OCC(=O)Nc3ccc(C)cc3)ccc3ccccc23)cc1 2322353637 AYVPRKKQLPRHPK-UHFFFAOYSA-N 449.550 6.624 30 10 IKEE CCc1ccc(C=C2Oc3c(cc4c(c3C)OCN(C3CCCCCCC3)C4)C2=O)cc1 2322415119 BYKZOUQHSMRJND-UHFFFAOYSA-N 431.576 6.438 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(C)c2)cc1 2322455981 MNAGVSFOLHGCGY-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE C[C@H]1c2ccc(C#N)n2CCN1C(=O)C=Cc1ccc(OCc2ccccc2Cl)cc1 2322732879 HZIHSCILOBBGFB-SFHVURJKSA-N 431.923 5.209 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2cccc(OC)c2OCc2ccccc2C)c1 2322864029 LRIWTCSQVWAGIE-UHFFFAOYSA-N 446.543 6.276 30 10 IKEE Clc1ccc(NN=Cc2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1 2322953241 PMOSIHUKBCHCDG-UHFFFAOYSA-N 448.957 7.306 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 2323301572 MLDQJMCZOAUNJD-UHFFFAOYSA-N 437.879 6.040 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)C(Cl)=Cc4ccccc4)c3C)C2=O)cc1 2323441767 LEBVZAVYHVDEFP-UHFFFAOYSA-N 430.887 6.105 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OC(=O)C=Cc3ccc([N+](=O)[O-])cc3)cc(C)c2C1=O 2323602055 XVYFHPZIZXMKDC-UHFFFAOYSA-N 447.468 5.508 30 10 IKEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(C)cc1 2323674617 LGODYHTVQBVFCU-UHFFFAOYSA-N 437.879 6.040 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OCc1c(Cl)cccc1Cl 2323813688 RRDNIEHQPRJYQD-UHFFFAOYSA-N 427.327 6.867 30 10 IKEE CCOc1cc(C=NNc2nc(-c3ccc(OC)cc3)cs2)cc(Br)c1O 2323840382 VKBQMQKAYORRTB-UHFFFAOYSA-N 448.342 5.132 30 10 IKEE COc1cc(C=NNc2nc(-c3ccc(Cl)cc3)cs2)cc([N+](=O)[O-])c1OC(C)C 2323840643 DGHNWZDDYGOHDO-UHFFFAOYSA-N 446.916 5.614 30 10 IKEE CCOC(=O)c1sc(NN=Cc2cc(Cl)c(OCC(C)C)c(Cl)c2)nc1C 2323865447 CBGDUBLKBGRGAA-UHFFFAOYSA-N 430.357 5.416 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(Cl)c(Cl)c3)cc2)c1 2323879596 JAGZYMLDPLLJIX-UHFFFAOYSA-N 440.326 6.215 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(OC)ccc2OC)ccc1OCc1cccc(C)c1 2324029815 YZJSFTRTWXEFTF-UHFFFAOYSA-N 432.516 5.886 30 10 IKEE Cc1ccc(C)c(COc2ccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)cc2[N+](=O)[O-])c1 2324349128 XXXFCHRZEORHPD-UHFFFAOYSA-N 443.543 6.920 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1 2324478123 VARQXFQLSJFEJS-MRXNPFEDSA-N 431.463 5.410 30 10 IKEE COc1ccc(C=C2Oc3cc(OCCOc4cccc(C)c4)ccc3C2=O)cc1OC 2324522624 UMEPZCHNGULROP-UHFFFAOYSA-N 432.472 5.086 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OCCOc3ccc(C(C)(C)C)cc3)cc(C)c2C1=O 2324691163 HVDDWUDOYJECOR-UHFFFAOYSA-N 442.555 6.675 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1cc(C)c2c(c1)OC(=Cc1ccc(C)o1)C2=O 2325098457 IULIFJMXJPSBGN-FQEVSTJZSA-N 426.509 5.794 30 10 IKEE CC(=O)Nc1ccc(C(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2C)C3=O)cc1 2325235404 QCYKTKZDSAGMJG-UHFFFAOYSA-N 441.483 5.140 30 10 IKEE Cc1cc(OCC(=O)NC2CCCCC2)cc2c1C(=O)C(=Cc1ccc(Cl)cc1)O2 2325325460 QWZPVVAVDPIBQZ-UHFFFAOYSA-N 425.912 5.092 30 10 IKEE CCCOc1ccc(C=Nn2c(CC)nnc2SCc2c(F)cccc2Cl)cc1 2325610708 BDJXWGVQYLRNDN-UHFFFAOYSA-N 432.952 5.596 30 10 IKEE O=C(CCc1ccccc1)Oc1cccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)c1 2325669641 VYQXIOLQVJVQMZ-UHFFFAOYSA-N 432.519 6.788 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C=CC(=O)c3cccc([N+](=O)[O-])c3)ccc2OC)cc1 2325669794 NDVRQUANEYNYJW-UHFFFAOYSA-N 447.443 5.117 30 10 IKEE CN(C)c1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)CCCC4)c2)cc1 2325702106 VTOHBFMLHVLFGH-UHFFFAOYSA-N 425.528 5.747 30 10 IKEE CCCCC1CCC(C(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c(F)c3)c2)CC1 2325748640 OSDHQQZFEDNUCL-UHFFFAOYSA-N 438.539 6.632 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC(=O)c2ccccc2OC)c1 2325752671 DAMROZMJZWUTLR-UHFFFAOYSA-N 444.527 6.117 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)c2cccc(Cl)c2)c1 2325764080 APENTEUSMXPGBH-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC(=O)c2ccc(Cl)cc2)c1 2325765548 KQAHBZRKGSQVEQ-UHFFFAOYSA-N 432.947 7.061 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3sccc3C)c2)c2ccccc12 2325777053 PAWYBUDKBGDKHB-UHFFFAOYSA-N 428.509 6.334 30 10 IKEE CCCOc1ccc(C=Nn2c(C)nnc2SCc2ccccc2)cc1Br 2326211740 XXSLJCNEBFJIPC-UHFFFAOYSA-N 445.386 5.312 30 10 IKEE CCCCCCOc1ccc(C=Nn2cnnc2SCc2ccc(C)cc2)cc1OC 2326287370 LHGIUJVMLAUGRN-UHFFFAOYSA-N 438.597 5.729 30 10 IKEE CCCOc1cc(C=Nn2c(CC)nnc2SCc2cc(C)cc(C)c2)ccc1OC 2326406562 CMSVVBNUJBTDKF-UHFFFAOYSA-N 438.597 5.429 30 10 IKEE CCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccc(N(CC)CC)cc1 2327542316 DWHSCOFYFWMRBY-UHFFFAOYSA-N 444.004 5.351 30 10 IKEE CCCSc1nnc(CCc2ccc(OC)cc2)n1N=Cc1c(Cl)cccc1Cl 2328585138 QCMLBTWUMCFBAJ-UHFFFAOYSA-N 449.407 5.763 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2)n1N=Cc1cccc(OCCC)c1 2328754154 FCHAFJLRVJLVRH-UHFFFAOYSA-N 436.581 5.239 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccc(F)cc3)n2N=Cc2cccn2C)cc1C 2328940866 IECKUHHIKSFAMP-UHFFFAOYSA-N 447.583 5.332 30 10 IKEE C=C(C)CSc1nnc(CCOc2ccccc2)n1N=Cc1ccc(C(F)(F)F)cc1 2329189895 VHQZMOPEPZGKRB-UHFFFAOYSA-N 446.498 5.469 30 10 IKEE Oc1cccc(C=Nn2c(Cc3ccccc3F)nnc2SCc2cccc(F)c2)c1 2329725738 OYQYSSKVSGRMTB-UHFFFAOYSA-N 436.487 5.027 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccc(F)cc3)nnc2[C@@H](C)c2ccccc2)c1 2330058035 VYDHMVCKPUVTED-SFHVURJKSA-N 446.551 5.752 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(CC)cc2)cc1Cl 2330747687 LFPIQSBQCOVBNK-UHFFFAOYSA-N 426.984 7.455 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc4c(c3)OCO4)c(OC)c2)cc1 2330772751 MTGCPGPHPRZESH-UHFFFAOYSA-N 430.456 5.102 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3ccccc3C)c(OC)c2)c1 2330773245 VJOAMQNSPXAFHU-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3OC)cc2)cc1 2330824505 CMMPNZYATBEYLI-UHFFFAOYSA-N 428.528 6.082 30 10 IKEE Fc1cccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2-c2ccco2)c1 2331235042 JINZFJZLKBERDU-UHFFFAOYSA-N 430.867 5.644 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1 2331238772 UJMYMYDMURXGOG-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)C(C)(C)C)c(Br)c2)cc1 2331305161 WWJDFRQPWPBUDE-UHFFFAOYSA-N 445.353 6.086 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)c1ccc(N(C)C)cc1 2331326928 SFVLVWZEXFEBHS-UHFFFAOYSA-N 443.543 5.883 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C(C)(C)C)c1 2331410763 ADKFDZWOEFNFET-UHFFFAOYSA-N 449.407 6.066 30 10 IKEE C=CCSc1nnc(C2CCC2)n1N=Cc1cccc(OC)c1OCc1cccc(C)c1 2331532261 VOSFANGPGCVFJD-UHFFFAOYSA-N 448.592 5.602 30 10 IKEE COCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(C(F)(F)F)cc1 2331597695 ZNTFAAOTDAKKBD-UHFFFAOYSA-N 440.878 5.271 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccccc2C)n1N=Cc1cccc2ccccc12 2331638827 UWKAYLGQVKUWFE-UHFFFAOYSA-N 443.576 5.305 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)ccc1OC(=O)C(F)(F)F 2331638862 ZVAUOWFZQOYZJX-UHFFFAOYSA-N 449.208 5.374 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1Cl 2331646646 ORWZLRIIAQEMPC-UHFFFAOYSA-N 432.947 6.997 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)CC1CCCCC1 2331703430 GMMKPHAJNFSCQG-UHFFFAOYSA-N 440.967 6.737 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C(C)C)cc1 2331707161 QDRBHKCAWOTSSH-UHFFFAOYSA-N 428.989 6.018 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc4c(c3)OCO4)c(Cl)c2)c(C)c1 2331768711 NLYQFWAXCRIXQB-UHFFFAOYSA-N 448.902 6.109 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2331872730 OJGSYABAAQFTLI-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE CCN[C@H](C#Cc1cccs1)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2338316416 KQLNBRUKEWHZAI-GOSISDBHSA-N 435.387 5.560 30 10 IKEE CC1(C)OB(c2ccc(Nc3cc(Cl)cc(Br)c3)c(C#N)c2)OC1(C)C 2364935275 LIUPYMDIVSNXTP-UHFFFAOYSA-N 433.542 5.017 30 10 IKEE CCCN[C@H](C#C[C@@H]1CC1(C)C)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2365089815 KUNKABMIZSNKQQ-CRAIPNDOSA-N 435.406 5.886 30 10 IKEE CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N/c1ccc2ncccc2c1 6078578 MFWFXSZMAIHTTE-CCSRSWJSSA-N 448.573 5.237 30 10 IKEE C(=N/Nc1n[nH]c(SCCOc2ccccc2)n1)\c1cccc(Oc2ccccc2)c1 21038311 BMBRLSAJPAYYSK-JJIBRWJFSA-N 431.521 5.214 30 10 IKEE CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)ccc1O 21219829 OVDYNYMQVCVDSU-XRHLQHRESA-N 444.506 5.910 30 10 IKEE O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(NC(=O)c2ccccc2)cc1 28355931 BPEVUZCHZWGFJL-JQIJEIRASA-N 438.439 6.003 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCc4ccc(Cl)c(Cl)c4)ccc3C2=O)cc1 33365844 NIMLFHQKXMWRBD-FMCGGJTJSA-N 425.311 6.751 30 10 IKEE N#Cc1ccc(-c2ccc(OCC(=O)Nc3ccccc3Sc3ccccc3)cc2)cc1 33586270 DWXZWUPQIXEBOM-UHFFFAOYSA-N 436.536 6.394 30 10 IKEE N#Cc1c(/C=C\c2cccs2)cc(-c2ccc(Cl)c(Cl)c2)n2c1nc1ccccc12 33590939 BPRJQQFJKNYWQO-CLFYSBASSA-N 446.362 7.565 30 10 IKEE COc1ccc(C(=O)/C=C\c2ccccc2OC(=O)c2ccc(C(C)(C)C)cc2)c(OC)c1 34955188 NAUZMNFQZPHMBO-ATVHPVEESA-N 444.527 6.117 30 10 IKEE O=C(O)c1ccc(COc2ccccc2/C=N/Nc2c3ccccc3nc3ccccc23)cc1 39557504 YZFQOKZQRNSCCA-STBIYBPSSA-N 447.494 6.111 30 10 IKEE O=C(C[C@@H]1S/C(=N/c2cccc3ccccc23)NC1=O)Nc1cccc(C(F)(F)F)c1 39843612 NBZKLZUWXAOZGI-SFHVURJKSA-N 443.450 5.107 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1ccc(CC)cc1 40093573 TUVNARAIOQZLSD-DEOSSOPVSA-N 435.564 5.723 30 10 IKEE CN1CCc2nc(SCc3ccc(Cl)cc3)c(C#N)c(-c3ccc(Cl)cc3)c2C1 40570018 VSOAEJOVVPUCOA-UHFFFAOYSA-N 440.399 6.207 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc4c3CN(CCCc3ccccc3)CO4)C2=O)cc1 41656613 GCJCFNADAZWOBB-XYGWBWBKSA-N 427.500 5.096 30 10 IKEE C=CCn1c(SCCC(=O)Nc2ccc(OC)cc2C)nnc1-c1cccc(Cl)c1 59794829 JBJBWRBGWBEGBI-UHFFFAOYSA-N 442.972 5.222 30 10 IKEE CC1CCN(S(=O)(=O)c2ccc(C(=O)/C=C\c3ccc(-c4ccccc4)cc3)cc2)CC1 97993433 XYCQLOHKGJQYFM-SXGWCWSVSA-N 445.584 5.670 30 10 IKEE CCCCCCCn1c([C@@H]2CC(=O)N(c3cccc4ccccc34)C2)nc2ccccc21 101042099 CAVAYSBLQBJTIL-JOCHJYFZSA-N 425.576 6.680 30 10 IKEE CCCCCCCC(=O)NN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1ccc(C(C)C)cc1 101314606 AZTWTXSPMHTUPB-DEOSSOPVSA-N 442.003 6.422 30 10 IKEE CCCCCCCCn1c(CCNC(=O)COc2cc(C)ccc2C)nc2ccccc21 102142222 HQOZEOKMSURJBF-UHFFFAOYSA-N 435.612 5.751 30 10 IKEE CCCCCCCCCCCn1c(COc2cc(C)ccc2C(C)C)nc2ccccc21 102185879 QWJGQTUGOIDXRJ-UHFFFAOYSA-N 434.668 8.578 30 10 IKEE CCCCCCCCCCn1c([C@H](C)NC(=O)c2cccc(OC)c2)nc2ccccc21 102223849 FRIWDKBXQCZLKK-NRFANRHFSA-N 435.612 6.677 30 10 IKEE CCCCCCCc1ccc(C(=O)/C=C\C(=O)c2ccc(CCCCCCC)cc2)cc1 107095588 HTPWEUOJWGEIBP-VHXPQNKSSA-N 432.648 8.334 30 10 IKEE C[C@@H]1CCc2c(sc3nc(-c4ccc(Cl)cc4)n(Cc4cccc(C#N)c4)c(=O)c23)C1 169904829 XNIDMJNRHMKILO-OAHLLOKOSA-N 445.975 5.823 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\n2c(S)nnc2C(F)(F)F)c(Cl)c1 169914502 VSWKUHGIRVFKGL-CFRMEGHHSA-N 448.942 6.251 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(F)c2)cc1 169921699 DRSAAADWKFKWQB-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE CCOc1ccc(/C=N\Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1OCC 169943094 ZUAMBPLOCRLNAF-QRVIBDJDSA-N 427.526 5.071 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2ccc(N(C)C)cc2)c1 169952898 RNFWXCHAOQAZDP-RUZDIDTESA-N 440.543 5.461 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccc(O)cc2)c1 169958075 FWFKFWWUZKTBJJ-RUZDIDTESA-N 441.527 5.915 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2ccccc2C)cc1 170030039 DXEQKKLINLTEGJ-XMMPIXPASA-N 443.499 5.185 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc(C)c2)cc1C 170145494 FYWWDFARYVSIOQ-VWLOTQADSA-N 447.575 6.003 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2cccs2)cc1 170155438 WQKBSZFUHFEZIY-OAQYLSRUSA-N 437.492 5.457 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)cc(C)c3OC)[C@H]2c2cccs2)cc1 170156876 AJRSMFRJTKBQEA-JOCHJYFZSA-N 447.556 5.719 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2cccs2)c1 170160367 BHMOGFRTBYKZTF-QHCPKHFHSA-N 441.508 5.698 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccs2)ccc1Cl 170161340 DFTXZSPIPUOOEI-FQEVSTJZSA-N 439.920 5.501 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC)c2)[C@@H]1c1cccc(OCC(C)C)c1 170218945 ZYVGZDIVSIMRBT-QHCPKHFHSA-N 437.536 5.108 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccccc2)c1 170221397 RMICZRVWUAKXST-HSZRJFAPSA-N 425.440 5.224 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2)cc1C(C)(C)C 170231367 BBCYFUHDVISWLI-DEOSSOPVSA-N 447.575 5.904 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1c[nH]c2ccccc12 170256212 YRXIRTZCNBBUOW-VOIUYBSRSA-N 444.531 5.260 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccc(O)c2)cc1C 170258259 ZKDOCVFJRMALOT-QHCPKHFHSA-N 447.462 5.021 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccc(C)o2)c(C)c1 170304883 UZGIHPYFMBNPTG-XMMPIXPASA-N 445.515 5.775 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 170380615 VYXLLCQYGHJGSJ-IBGZPJMESA-N 428.271 5.678 30 10 IKEE COc1ccc(CN2C(=O)/C(=C/c3ccc(SC)cc3)SC2=Nc2ccccc2)cc1 252594020 BONVVIFJTJKCFX-ZYITZIQLSA-N 446.597 6.221 30 10 IKEE CCCCCOc1ccc(C=Nc2ccc(C3c4ccccc4Oc4ccccc43)cc2)cc1 252627359 RSPISSRYNJRGCJ-UHFFFAOYSA-N 447.578 8.292 30 10 IKEE Oc1cccc(N=Cc2cc(Cc3ccc(O)c(C=Nc4cccc(O)c4)c3)ccc2O)c1 254292397 UOAMGJDMPVMDBH-UHFFFAOYSA-N 438.483 5.601 30 10 IKEE Fc1ccc(Cn2cc(C=NNc3c(F)c(F)c(F)c(F)c3F)c3ccccc32)cc1 254513978 KDDUXPHPIVFDND-UHFFFAOYSA-N 433.355 5.970 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2)SC(=Nc2ccccc2)N1[C@H]1CCCc2ccccc21 254739092 TWKSTXVZGLYRBY-WWZCXWHHSA-N 444.987 7.022 30 10 IKEE N#Cc1c(Cl)cccc1Nc1ccc(I)cc1Br 305971315 KOFWTNHRQOOBAH-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE Cc1ccc(Br)cc1CC(=O)/C=C\c1ccc(NC(=O)OC(C)(C)C)cc1 406105801 MTISEFXVJCNOFY-WQLSENKSSA-N 430.342 5.930 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@H]2c2ccc(Cl)c(Cl)c2)c1 526520765 JZHVRVBQBHIIHZ-OAQYLSRUSA-N 439.273 6.061 30 10 IKEE Cc1ccc([C@@H]2C(c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2c2cccc(C#N)c2)o1 526522151 PUHQXUSODNIGLF-HXUWFJFHSA-N 425.271 5.824 30 10 IKEE N#Cc1ccccc1NC1=C(Sc2ccccc2)C(=O)N(c2cccc3ccccc23)C1=O 526658557 QVVJGIPSDDMHFU-UHFFFAOYSA-N 447.519 5.701 30 10 IKEE CCCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1ccccc1C 526815438 WNXIOSFSBRNWDK-CFRMEGHHSA-N 433.408 6.410 30 10 IKEE COc1c(Cl)cc(/C=N\n2cnnc2SCc2ccccc2Cl)cc1Cl 526815617 FUOIXNUSDRIZRH-UYOCIXKTSA-N 427.744 5.421 30 10 IKEE CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1ccc(OC(C)(C)C)cc1 526829116 TVAFCEULTYCNHZ-UCQKPKSFSA-N 439.541 5.101 30 10 IKEE C=C(C)CN(C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586144118 OWVOZQIVJWSOHB-UHFFFAOYSA-N 433.617 6.341 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@]1(C#N)C[C@@H]2C[C@@H](CN2Cc2ccccc2)C1 716628354 JVZRLFVPWAPLDZ-SWYRRKHMSA-N 435.543 5.514 30 10 IKEE C[C@H](COCc1ccccc1)COc1ccc2ccccc2c1B1OC(C)(C)C(C)(C)O1 719161413 YAJJQYPXSGITRG-HXUWFJFHSA-N 432.369 5.371 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2ccc(C)c(Br)c2C)cc1 719633450 MWTAJBWEOBYAIL-IBGZPJMESA-N 429.358 6.381 30 10 IKEE C=C1/C(=C/C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCC[C@@](C)(O)CO)CC[C@@]23C)C[C@@H](O)C[C@@H]1O 725412706 BRKISPKRHSKJQO-LTUCLFITSA-N 446.672 5.067 30 10 IKEE COc1ccc(/C=C\C(=O)c2ccc(C(F)(F)F)nc2O)cc1OCc1ccccc1 731565069 ZOZGQRGWJXMHCA-YFHOEESVSA-N 429.394 5.290 30 10 IKEE COc1ccccc1CNN=Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 1083920233 UYQIXKSXRSPTIA-UHFFFAOYSA-N 445.346 5.713 30 10 IKEE CCCCCCCCOc1ccc(C=NNc2nc3ccc([N+](=O)[O-])cc3s2)cc1 1084029347 RMHKUAOOGABUHH-UHFFFAOYSA-N 426.542 6.390 30 10 IKEE COc1ccc(COc2ccc(C=NNc3nc(SCc4cccc(C)c4)n[nH]3)o2)cc1 1084193594 PSMOIRKMTGXTIG-UHFFFAOYSA-N 449.536 5.032 30 10 IKEE FC(F)(F)c1ccc(Br)c([C@@H]2CN(Cc3ccccc3)C[C@@H]2CS)c1 1614692103 HLUDCECVAIKZBL-RHSMWYFYSA-N 430.333 5.613 30 10 IKEE C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](OS(C)(=O)=O)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1 1690140241 LSAACYNNLMENON-NAAPSUTFSA-N 427.610 5.383 30 10 IKEE COc1cccc(C(=O)Nc2cccc3c(OC(=O)Nc4ccccc4C#N)cccc23)c1 1858769292 JELCKMBTMQZGMH-UHFFFAOYSA-N 437.455 5.583 30 10 IKEE CCc1c(Cl)c(C(=O)Nc2ccccc2C#N)nn1Cc1ccc(Cl)c(Cl)c1 1859379229 XTEGIBHVDHTHQR-UHFFFAOYSA-N 433.726 5.578 30 10 IKEE CCCCCCCCCCn1c(C)cc(OCC(=O)N2CCc3ccccc3C2)cc1=O 1860784798 GHPKUZAZQDLNHA-UHFFFAOYSA-N 438.612 5.261 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(OCC)cc2)n(Cc2cccc(Cl)c2)n1 1862360334 IAGFIGNYCVJNAZ-UHFFFAOYSA-N 435.955 5.465 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1cccc([N+](=O)[O-])c1 1862383837 NQIWZRHHMWTBTK-ZMZPIMSZSA-N 449.290 5.278 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2cccc(C)c2)cc1 1862389886 PVBUDMXLZQOPSR-RUZDIDTESA-N 449.591 5.731 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@@H]1c1ccc(OC)cc1 1862391498 BOABZWCSTSGHNF-DEOSSOPVSA-N 435.564 5.806 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@H]1c1cc(Cl)cc(Cl)c1 1862393869 FMTZMLDRVZDOKR-OAQYLSRUSA-N 444.358 6.100 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862429222 IROCCQRJUBBNPF-HSZRJFAPSA-N 437.967 6.340 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccc(O)cc2)cc1 1862442014 FRVWFMXCGMEFOT-HSZRJFAPSA-N 447.918 5.175 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc2c(c1)CCCN2C 1862442601 FZFCSLQAMGDXGP-NYHFZMIOSA-N 438.955 5.099 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(N(C)C)cc1 1862478117 ZIGCXNGNBSKUSY-WIOPSUGQSA-N 448.607 5.998 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2cccc(F)c2)c1 1862501759 JXHOBAXLMXFASP-QHCPKHFHSA-N 433.454 5.360 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cccc(OC)c1 1862501950 OGVXNBAGTSSZFI-JOCHJYFZSA-N 425.500 5.301 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1ccc2cc[nH]c2c1 1862515914 GTTPNQTXCAFBTL-QHCPKHFHSA-N 432.520 5.335 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862660347 KZCDERNKBMGUIL-VWLOTQADSA-N 443.518 6.036 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccc(O)cc2)cc1 1862662989 OYAMLHNSDHJFLL-BVZFJXPGSA-N 441.527 5.855 30 10 IKEE O=C(C1=C(O)C(=O)N(C23CC4CC(CC(C4)C2)C3)[C@H]1c1cccc(O)c1)c1ccc(F)cc1 1862672996 AFISHJNPBWRXEP-TVQFERKRSA-N 447.506 5.078 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(F)cc1 1862688206 TVEZUTQHZWHMMT-NZQKXSOJSA-N 439.527 5.772 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccccc1Cl)c1ccc2ccccc2c1 1862711763 BXEFYJQSPJKBJX-QHCPKHFHSA-N 443.886 5.865 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cccc(F)c1 1862735263 GSVGZYBOIVIAFJ-NYHFZMIOSA-N 446.434 5.073 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1C 1863260396 NRNGTQZUSCLNJB-UHFFFAOYSA-N 441.918 5.221 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc([N+](=O)[O-])ccc2C)=C(c2ccc(C)cc2)C1=O 1863277170 SWDABSIYFXTIQA-UHFFFAOYSA-N 449.551 5.764 30 10 IKEE C[C@@H](CC(=O)N[C@@H](C(=O)Nc1ccc(C#N)cc1)c1ccccc1)c1ccc(Cl)cc1 1866716965 ZCUWZHXKXQUTQE-BXKMTCNYSA-N 431.923 5.201 30 10 IKEE COCCc1nc(Nc2ccc(C#N)cc2)cc(N2CCc3ccccc3[C@@H]2C(C)C)n1 1868265673 MLPCAFKULVHOMP-SANMLTNESA-N 427.552 5.041 30 10 IKEE Cc1ccccc1-c1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 1870157822 KXHOLXXDMPCTLR-UHFFFAOYSA-N 435.531 5.664 30 10 IKEE CCCCCCCCn1cc(OCCCCC)c(=O)cc1CSCc1ccccc1 1870188369 IOUBHFXNQIQCEF-UHFFFAOYSA-N 429.670 7.211 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCOc2ccc(Cl)cc2)cn1CCC(C)C 1870457699 PTTMSOZAOQNDOO-UHFFFAOYSA-N 445.003 5.180 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)NC)c(=O)cc1CN(CCC)CCCC 1870568819 VJZHAKSWAANXEE-UHFFFAOYSA-N 449.680 5.126 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCCOc2ccc(Cl)cc2)cn1CC(C)C 1870776743 BUSSHDMQTIFQNC-UHFFFAOYSA-N 445.003 5.180 30 10 IKEE CCCCCCCOc1cn(CC)c(CNc2ccc(OCc3ccccc3)cc2)cc1=O 1870836068 NGHKYFVJVDQLRG-UHFFFAOYSA-N 448.607 6.409 30 10 IKEE C=CCn1cc(OCCOc2cccc(C)c2)c(=O)cc1CNc1cccc(C(C)(C)C)c1 1871209653 LMCVNGMOGYRKOV-UHFFFAOYSA-N 446.591 5.710 30 10 IKEE Cc1c2c(cc3c1O/C(=C\C=C\c1ccccc1)C3=O)CN(CCCCN1CCCC1)CO2 1871354949 JVYSCRSJYZKEOR-UGVHJBEJSA-N 444.575 5.195 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1cccc(Cl)c1)C3=O)CN(CCC1=CCCCC1)CO2 1871355186 WJTAEGBQAAFVPL-QRVIBDJDSA-N 435.951 6.307 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc(OC(=O)/C=C/c3ccc(C)cc3)c2C)C1=O 1871366391 CJZNORFFXQYILV-WHXQNIATSA-N 440.495 5.937 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871381729 DQPPKVTWESHQSX-ABVWVXPPSA-N 426.424 5.004 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)c1 1871412142 PMRCHBUBWGAPMU-ZKDCOOFMSA-N 431.463 5.465 30 10 IKEE Cc1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)c1C 1871414680 WMZKSSNHHSPNKT-ZKDCOOFMSA-N 431.463 5.465 30 10 IKEE Cc1c(OCC(=O)Nc2ccc3ccccc3c2)ccc2c1O/C(=C\c1ccccc1)C2=O 1871419192 CUZUBSWAVYBQFW-MYYYXRDXSA-N 435.479 5.782 30 10 IKEE Cc1cc(OCC(=O)N[C@@H](C)c2ccccc2)cc2c1C(=O)/C(=C/C=C/c1ccccc1)O2 1871421850 OHJDFBXEJLAISV-JCLGMIJBSA-N 439.511 5.424 30 10 IKEE Cc1c(OCC(=O)N[C@@H](C)c2ccccc2)ccc2c1O/C(=C\c1ccc(F)cc1)C2=O 1871424614 PIPBZNDXFBNICW-PGECNJAHSA-N 431.463 5.007 30 10 IKEE C=CCN=c1nc(Nc2ccc(Cl)c(C)c2)[nH]c(N2CCC(Cc3ccccc3)CC2)n1 1871662958 PVZGNVUNRKYBTJ-UHFFFAOYSA-N 449.002 5.056 30 10 IKEE COc1ccc(C)cc1-c1csc([C@@H](C#N)C(=O)COc2ccc(C)cc2C(C)(C)C)n1 1872771407 UABPMYKDTOHKIP-IBGZPJMESA-N 448.588 5.988 30 10 IKEE CCOc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2cc(C)cc(C)c2OC)cs1 1872781743 YVICBMSHPRBYQQ-GOSISDBHSA-N 436.533 5.090 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3cc(Cl)ccc3Cl)n2)c(OC)c1 1872784181 PIVCGWZXLWQLDX-MRXNPFEDSA-N 447.343 5.553 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@@H](C#N)C(=O)COc2ccc(C)cc2C)n1 1872788630 MUNNREALYSBSJL-KRWDZBQOSA-N 426.925 5.344 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3c(F)cccc3Cl)n2)c2ccccc12 1872789115 YPDPCWJZYVTYRD-MRXNPFEDSA-N 436.895 6.254 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(Cl)c2)=C(c2cccc(OC)c2)C1=O 1873218656 YLAXZFXTNWTEDB-UHFFFAOYSA-N 440.971 5.901 30 10 IKEE C=CCN1C(=O)C(Nc2cc(C)ccc2OCC)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873276491 KEEZJBVNWCFNGH-UHFFFAOYSA-N 438.527 5.439 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(Cl)c2C)=C(c2ccccc2C)C1=O 1873305869 ZMCXDFUOHDJEOH-UHFFFAOYSA-N 438.999 6.509 30 10 IKEE C=CCn1c(C(=O)N(CCCC)CCCCCC)cc2c(N3CCCCC3)ncnc21 1873562918 ZKPWIZYEVBRUCE-UHFFFAOYSA-N 425.621 5.430 30 10 IKEE CCCCCCCCNC(=O)c1cc2c(N3CCC[C@@H](C)C3)ncnc2n1CC(C)C 1873577608 ZWGROFWJJGSKCI-HXUWFJFHSA-N 427.637 5.414 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)n2CCCC 1873612898 NZFFERQVDDELDB-UHFFFAOYSA-N 433.600 6.328 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)c(Cl)c2)cc2c(N(CCC)CCC)ncnc21 1873665921 PHOFRVJXZCROMS-UHFFFAOYSA-N 446.382 5.803 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3cccc4c(O)cccc34)c(=O)oc2c1 1873939745 NDBYSAFECBFBDL-UHFFFAOYSA-N 429.472 5.096 30 10 IKEE CSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1ccc(F)cc1F 1874205592 IZIQLWLBSDXVCZ-GZIVZEMBSA-N 429.279 5.046 30 10 IKEE Cc1ccc(OCCCc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccc[nH]2)cc1 1874251678 PAZFXDGACFHTRE-JVWAILMASA-N 449.555 5.240 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccc(C)c(C)c3)n2/N=C/c2ccc[nH]2)cc1 1874319101 ZQOZFFWQHRGFOO-VULFUBBASA-N 431.565 5.285 30 10 IKEE Oc1ccc(/C=N/n2c(Cc3ccc(Cl)cc3)nnc2SCCc2ccccc2)cc1 1874342734 GYXLFKQUIJZIKF-YZSQISJMSA-N 448.979 5.445 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2)n1/N=C/c1cccc(Cl)c1 1874362832 ZFYPQXOSMMYRBR-WPWMEQJKSA-N 447.007 6.200 30 10 IKEE O=C(O)c1ccccc1/C=N/n1c(SCc2ccccc2)nnc1-c1ccccc1Cl 1874366937 BXBLUWWYOXJZTM-AFUMVMLFSA-N 448.935 5.471 30 10 IKEE COc1cccc(/C=N/n2c(Cc3ccccc3F)nnc2SCCc2ccccc2)c1 1874376329 QLGYQTYSILSIHX-OVVQPSECSA-N 446.551 5.234 30 10 IKEE COc1cccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccc(F)cc2)c1 1874406427 OFWMNZINEPAFSX-WGOQTCKBSA-N 438.572 5.723 30 10 IKEE CCOc1cccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2C)c1 1874416468 QUQHUQVACQEAOY-OVVQPSECSA-N 442.588 5.751 30 10 IKEE CN(C)c1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2-c2cccs2)cc1 1874420716 AJCUUXOTXNLKRC-ZVHZXABRSA-N 437.569 5.386 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2cc(C)ccc2C)nnc1-c1ccco1 1874467227 YFYPSAOCJBRNID-WGOQTCKBSA-N 444.560 5.894 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(C3CCC3)n2/N=C/c2c(F)cccc2Cl)cc1 1874494518 QJTZLOHPYSAVJJ-FOKLQQMPSA-N 445.907 5.421 30 10 IKEE COC(=O)c1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C(C)C)cc1 1874515553 FBEIRTUIOQKYQZ-FSJBWODESA-N 428.945 5.016 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3ccccc3c2/C=C/C(=O)c2ccccc2)cc1C 1874578229 CJRGWRCJAGYIQW-FOCLMDBBSA-N 435.523 6.370 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c1OCc1ccccc1 1874582779 HAQVEQQZWCEZDE-NTCAYCPXSA-N 434.963 7.121 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccccc2OCC(=O)N[C@@H](C)c2ccccc2)cc1 1874583202 BRZMICKYMLPWBA-APOCOGJHSA-N 427.544 5.962 30 10 IKEE O=C(/C=C/c1cc(Br)ccc1OCc1ccccc1F)c1ccc(F)c(F)c1 1874585196 PLOWGYFPNMQMPX-RMKNXTFCSA-N 447.250 6.342 30 10 IKEE COc1cccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)c1OCc1ccc(Cl)cc1 1874586046 SVKHKXBSSFHCFP-SDNWHVSQSA-N 434.963 7.057 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3cc(C)cc(C)c3)c2)c1 1874594172 WORRLYMFEUJQIN-CSKARUKUSA-N 445.515 5.234 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1cccc(OCc2cc(C)ccc2C)c1 1874599224 BAVCEODVUJYBAP-MDZDMXLPSA-N 441.354 7.094 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)cc([N+](=O)[O-])c1OCc1cccc(C)c1 1874605609 WOQZGJMGURFZON-VAWYXSNFSA-N 447.487 5.786 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)c(Cl)c2)cc1 1874616292 RQDBJESIMLQCTB-UXBLZVDNSA-N 433.935 6.179 30 10 IKEE C=C(C)COc1c(OCC)cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1[N+](=O)[O-] 1874626561 KZSCVXBSCOZRNG-CSKARUKUSA-N 425.481 5.470 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(Cl)c3)c(OC)c2)c(OC)c1 1874632211 QMEZADPQVCYNOV-YRNVUSSQSA-N 438.907 5.841 30 10 IKEE COc1ccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)c2)cc1 1874693714 SAZBXOKUIKUKSZ-GZTJUZNOSA-N 440.539 6.008 30 10 IKEE O=C(Cc1ccc(Cl)cc1)Oc1cccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c1 1874693791 WMWBECNSGCZSBF-XNTDXEJSSA-N 430.931 6.263 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)CCOc3ccccc3)c2)cc1C 1874696451 WOVWLROMWRAPOS-FMIVXFBMSA-N 446.499 5.283 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(C)cc2C)CSc2nnc(COC)n21 1874875578 QGMSVBZFBVRSMG-HXUWFJFHSA-N 430.618 5.104 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)CC(C)(C)C 1875082353 BHCFBRQPRNORQL-GZTJUZNOSA-N 442.555 6.990 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3F)c(OC)c2)cc1 1875107924 PNPRTXYMLXSVKP-FOWTUZBSSA-N 446.518 6.221 30 10 IKEE Cc1cc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3F)cc2Cl)ccc1F 1875121058 XPUAIFQZPWVMAS-FPYGCLRLSA-N 444.836 6.110 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1[N+](=O)[O-])c1cccc(Cl)c1 1875125059 OSDYLFUXXSIQNN-XBXARRHUSA-N 443.789 5.642 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)c1ccc(OCC)cc1 1875128954 CUJHKZOFXDJDKB-SFQUDFHCSA-N 442.511 5.938 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)cc3F)cc2)cc1 1875136256 GLDPUASRBPYFHI-LHHJGKSTSA-N 436.454 5.798 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)cc2)c1 1875138447 WLSNPTZWTSBYHC-UYGCOELJSA-N 430.931 6.562 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3F)c(OC)c2)cc1 1875138924 JNQZRXUZLMTTBE-RIYZIHGNSA-N 434.463 5.738 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)CCc1ccccc1 1875140172 UFVYERMMDKIPRM-NTCAYCPXSA-N 428.528 6.136 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1ccc(F)cc1F 1875142796 UNYAJUISFURJRD-ONNFQVAWSA-N 440.417 5.926 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)COc2ccc(Cl)cc2)cc1 1875143457 AOUJFJUYTJGERA-AWNIVKPZSA-N 436.891 5.538 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)CSc1ccccc1 1875152906 UZNVQFYXYDODJB-JXMROGBWSA-N 448.496 5.018 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)Cc1ccc(F)c(C)c1 1875158917 TUIIPGHKHSNTMO-LFYBBSHMSA-N 436.454 5.716 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@H](C#N)[C@]1(C)CCCN1C(=O)OC(C)(C)C 1880102089 PVURBNMGOFKVIL-DVECYGJZSA-N 429.561 5.105 30 10 IKEE COc1c(F)c(F)c(C(=O)Nc2cccc(-c3ccc(C(F)(F)F)cc3)c2)c(F)c1F 1891722366 XALYOKHVZDOVIF-UHFFFAOYSA-N 443.318 6.190 30 10 IKEE C[C@@H](C#N)c1cccc(C(=O)NCCSc2cn(Cc3ccccc3)c3ccccc23)c1 1892063150 RYKRRASAQSKJRK-FQEVSTJZSA-N 439.584 5.839 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@H]1Nc1ccc(Br)c(C#N)c1 1924929309 URKITNYKQCLLNY-KDOFPFPSSA-N 434.378 5.206 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)[C@H]2CCC[C@@H]21 1926540962 DIBODLBDEMONPJ-RLSLOFABSA-N 441.572 5.105 30 10 IKEE CCC[C@](C#N)(CNC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)c1cccc(OC)c1 1944407786 JSUNKKAUAXMNOM-QHCPKHFHSA-N 433.549 5.024 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@](NC(=O)OC(C)(C)C)(C(C)C)C(F)(F)F 1950530353 LIQXIWWBVRCEMR-DENIHFKCSA-N 444.538 5.219 30 10 IKEE CCCCCCCCC[C@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCC 2035462376 QEIANOJLWVYZNU-RPBOFIJWSA-N 448.692 6.605 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@@]1(C#N)CCN(Cc2ccccc2)C2(CC2)C1 2042191281 WKCSQJMKDJLSBR-SANMLTNESA-N 435.543 5.658 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)C1(CCNC(=O)OC(C)(C)C)CCCCC1 2044817702 BOEKLABRLIDMJQ-XMMPIXPASA-N 444.660 5.993 30 10 IKEE CC(C)[C@@H](c1ccc(C(F)(F)F)cc1)n1nc(C(F)F)c(C=NO)c1Br 2079932641 DSCPESXCPCXVIF-ZDUSSCGKSA-N 440.210 5.656 30 10 IKEE CCCOc1ccc([C@@H](C(C)C)n2nc(C(F)(F)F)c(C=NO)c2Br)cc1 2080088327 OXWCNOFIZRPZLM-OAHLLOKOSA-N 448.283 5.507 30 10 IKEE Fc1ccc(-c2c(C(F)(F)F)nn(C3CCSCC3)c2Cl)c(C(F)(F)F)c1 2080793378 LATNEXFNOUSXDR-UHFFFAOYSA-N 432.792 6.448 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cccc(Br)c1Cl 2081389241 UWVDNMZQZGWCEJ-DOTOQJQBSA-N 431.802 5.613 30 10 IKEE CCOC(=O)c1sc([C@H](C#N)C(=O)CSc2ccc(C)cc2)nc1-c1ccccc1 2084270709 WFROYEQTWQSMLP-GOSISDBHSA-N 436.558 5.264 30 10 IKEE CC[C@@H](C)C[C@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)NC(C)C 2086490061 GZYPEGMHYPQOHV-NAKRPHOHSA-N 434.672 5.317 30 10 IKEE CC(C)(C)C[C@H]1CSC(=NCc2scc(Br)c2Br)N1 2094178298 ZNFVMBPMJVSUHU-QMMMGPOBSA-N 426.243 5.270 30 10 IKEE C[C@@H](C[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1)C(F)(F)F 2121445343 QTRAPAFIMTVZLU-YVEFUNNKSA-N 435.284 6.061 30 10 IKEE C=CCCN(Cc1ccccc1)c1c(CNCCOC)ccc(Br)c1Cl 2129194382 RTAMLZBRFZFBCM-UHFFFAOYSA-N 437.809 5.421 30 10 IKEE CCCCCCCC[C@@H](NC)[C@H](O)c1cc(Br)c(Br)s1 2148586349 IHODAVGJJZDEEG-OCCSQVGLSA-N 427.246 5.645 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H](CCNc2cc(Br)c(C#N)cc2F)CC1 2162403882 VGDBOMVZAHYAAC-AWEZNQCLSA-N 440.357 5.299 30 10 IKEE C[C@@H]1CCCN(c2ccc(Br)cc2C#N)[C@@H]1CCCNC(=O)OC(C)(C)C 2174807605 DOQNXFMBYGYMJE-CRAIPNDOSA-N 436.394 5.231 30 10 IKEE CCCN(CC(C)(C)CNC(=O)OC(C)(C)C)c1ccc(C#N)c(Br)c1F 2174812393 KOKFRRBYAZMHIT-UHFFFAOYSA-N 442.373 5.227 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)Nc2ccc(F)c(C#N)c2)c1 2181054590 YXDJSTLTYFCDRH-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE CO[C@@]1(C)C[C@H]2C[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2185286203 XOUSCIQRPDEWQL-YQMDMEMYSA-N 435.362 5.288 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H](C)CN(C(=O)OC(C)(C)C)[C@H]2C)cc1 2220395862 ZZYCKNWLFWMURH-WYEJZRMESA-N 443.588 5.664 30 10 IKEE C=CCC[C@@H](NCCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229130090 KHJUVOHBNRNEKF-RTBURBONSA-N 425.411 5.219 30 10 IKEE CC(C)(C)OC(=O)Nc1c(Cl)cc([C@H](N)C#Cc2cccc(Cl)c2)cc1Cl 2239472092 VMYOHVIQLIQWRA-QGZVFWFLSA-N 425.743 6.045 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@H](C#N)c1sc(Cl)cc1Br 2250681698 RWJGWUUCXMOEDV-LBPRGKRZSA-N 447.807 6.227 30 10 IKEE CC1(C)OB(c2cc(N(Cc3ccccc3)CC3CCCC3)ccc2[N+](=O)[O-])OC1(C)C 2267782245 DNAPNESCDRPZKE-UHFFFAOYSA-N 436.361 5.091 30 10 IKEE C=CCCC1([C@@H](NC)c2ccc(Br)cc2CC)CN(C(=O)OC(C)(C)C)C1 2281059070 QGQJTKQBXJEWFT-IBGZPJMESA-N 437.422 5.475 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)Nc2cccc(OCc3ccccc3)c2)c1 2282698802 FBGVLPBBWXAQKP-UHFFFAOYSA-N 443.352 5.126 30 10 IKEE CC(C)(C)OC(=O)NCCCc1ccc(Nc2c(Br)cccc2C#N)cc1 2285188552 TUORVTGPXUGANG-UHFFFAOYSA-N 430.346 5.522 30 10 IKEE CCCOc1ccc2ccccc2c1C=C1SC(=Nc2ccc(C)cc2)N(CC)C1=O 2293704389 LXYQEMYXQSEUKH-UHFFFAOYSA-N 430.573 6.561 30 10 IKEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C 2296279404 OMECJJIJIORQCT-RBUKOAKNSA-N 437.422 5.060 30 10 IKEE C=CCOc1ccc(C=C2SC(=Nc3ccc(Cl)cc3C(F)(F)F)NC2=O)cc1 2296311687 BEVXQFDFLNCLDI-UHFFFAOYSA-N 438.858 5.815 30 10 IKEE O=C1C(=Cc2ccccc2Br)Oc2cc(OCC=Cc3ccccc3)ccc21 2296595820 BVTITMCTPLJMCT-UHFFFAOYSA-N 433.301 6.158 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 2296762200 JGSXFYJLSDWPHZ-DEOSSOPVSA-N 440.455 5.086 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)N(c3ccccc3)c3ccccc3)c2)cc1 2296864864 QHTXWEUOXDPMRP-UHFFFAOYSA-N 449.506 6.928 30 10 IKEE CC#CCOc1ccc(CN(Cc2cccnc2)C(=O)C=Cc2ccccc2Cl)cc1 2297526113 JTNZLEYBGMMMOK-UHFFFAOYSA-N 430.935 5.379 30 10 IKEE COc1ccc(C(O)=C2Oc3ccccc3C2=NC(=O)COc2c(C)cccc2C)cc1 2297740423 WPFSWIYUIWYJLL-UHFFFAOYSA-N 429.472 5.026 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2308985143 NGVKMMMPOLTLRU-OFHLLDISSA-N 447.620 5.532 30 10 IKEE Cc1ccc2c(c1)C(=O)C(=Cc1cn(-c3ccccc3)nc1-c1ccc(OC(C)C)cc1)O2 2314519623 VQXHFTBNGZQFNR-UHFFFAOYSA-N 436.511 6.251 30 10 IKEE Cc1ccccc1CSc1nncn1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2321813330 IUWYDVABLOSJMQ-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE COC(=O)c1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN([C@H]2CCCC[C@H]2C)C4)cc1 2322153284 WMFHYOJNZHXMNG-IERDGZPVSA-N 447.531 5.128 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1cn(C)c4ccccc14)C3=O)CN([C@H]1CCCC[C@@H]1C)CO2 2322391674 OYGWPVUWZAHSAU-SBUREZEXSA-N 442.559 5.834 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccccc1 2322545617 UKRQLUUGNJHFAC-UHFFFAOYSA-N 435.523 6.370 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1cc(Cl)ccc1OCc1cccc(F)c1 2322931719 GKLBJLQHGWWKJK-UHFFFAOYSA-N 445.317 6.925 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccccc1OCC(=O)N[C@@H](C)c1ccccc1 2323022201 PVJAPFTVYFBNTH-SFHVURJKSA-N 449.934 5.501 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3cccc(C)c3)c2)cc1 2323078557 KEXWXTQFOONQIV-UHFFFAOYSA-N 427.544 6.251 30 10 IKEE CCCOc1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccncc2)C3=O)cc1 2323460520 XWHCLQUTTCLMJJ-UHFFFAOYSA-N 441.483 5.414 30 10 IKEE Cc1c(OC(=O)C=Cc2ccc(C(C)C)cc2)ccc2c1OC(=Cc1cccnc1)C2=O 2323503273 FDJXKVFUIKDTPX-UHFFFAOYSA-N 425.484 5.748 30 10 IKEE Cc1ccccc1COc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1Cl 2323582523 CJZHIQGPYBSBIA-UHFFFAOYSA-N 441.752 6.886 30 10 IKEE Cc1c(OC(=O)CCOc2ccccc2)ccc2c1OC(=Cc1ccc(C(C)C)cc1)C2=O 2323686535 LHMAEDDJHPMLBV-UHFFFAOYSA-N 442.511 6.109 30 10 IKEE Cc1c(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc2c1OC(=Cc1ccccc1)C2=O 2323701996 UGBXFJQBPPRCOG-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OCC(=O)NC1CCCCC1 2323802779 MKLGXKLAJRYODH-UHFFFAOYSA-N 427.928 5.072 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OCc1ccccc1Cl 2323812827 PZJHEZYKHQGOOR-UHFFFAOYSA-N 427.327 6.867 30 10 IKEE Cc1ccc(-c2csc(NN=Cc3cccc(OCc4ccc(Cl)cc4)c3)n2)cc1 2323858618 TZLXKCWIFDXJDE-UHFFFAOYSA-N 433.964 6.797 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc(F)c2)c(Cl)c1)c1ccc(Cl)c(Cl)c1 2323882388 UXNVAUHQPATGAM-UHFFFAOYSA-N 435.709 7.261 30 10 IKEE Cc1c(OCCc2ccccc2)ccc2c1OC(=Cc1ccccc1Br)C2=O 2324282994 WQCIUSGSJQOZHQ-UHFFFAOYSA-N 435.317 5.995 30 10 IKEE COC(=O)c1cccc(COc2cc(C)c3c(c2)OC(=CC=Cc2ccccc2)C3=O)c1 2324753128 KHLURBYLAKUJML-UHFFFAOYSA-N 426.468 5.533 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1ccc2c(c1C)OC(=Cc1cccc(C)c1)C2=O 2325093152 HIMQLZOWLHYWSX-JOCHJYFZSA-N 436.548 6.201 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCCc4ccc(C)cc4)c3C)C2=O)cc1OC 2325369850 UAQAFKIFBSBPJQ-UHFFFAOYSA-N 430.500 5.558 30 10 IKEE COc1cc(C=CC(=O)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccccc1 2325649561 MFTDFCXYENPYJS-UHFFFAOYSA-N 435.907 5.457 30 10 IKEE CCn1cc(C=C2Oc3cc(OC[C@@H]4CCCO4)cc(C)c3C2=O)c2cc(OC)ccc21 2325690346 RTWWONGVQIRXKY-IBGZPJMESA-N 433.504 5.152 30 10 IKEE CCOc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)CCCC4)c2)cc1 2325701596 ZJWHLMVOSHWSFD-UHFFFAOYSA-N 440.539 6.008 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(Cl)cc3)c2)cc1 2325733549 JABFOXJIUPXMCT-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)c1 2325741028 ZUFSMIYLQXDRRS-UHFFFAOYSA-N 435.863 5.980 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1OC(=O)CC12CC3CC(CC(C3)C1)C2 2325751043 OMYCLQDXCWODDN-UHFFFAOYSA-N 448.534 6.242 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1N=Cc1ccccc1 2325858065 FUROJWKWQLXHEU-UHFFFAOYSA-N 434.609 5.748 30 10 IKEE CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccccc1Cl 2326122290 FDCZPLFEMWFUAI-UHFFFAOYSA-N 435.380 5.775 30 10 IKEE Cc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1c(O)ccc2ccccc12 2326567791 ZHHNJCMGIIYQRS-UHFFFAOYSA-N 426.904 5.412 30 10 IKEE CCCCC1CCC(c2nnc(SC)n2N=Cc2cc(Cl)c(O)c(OC)c2)CC1 2328106437 MWKLACFOMQRDMX-UHFFFAOYSA-N 437.009 5.714 30 10 IKEE C=CCSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1ccc(C(F)(F)F)cc1 2328568675 QRTLNZUMIIWBCZ-UHFFFAOYSA-N 446.498 5.447 30 10 IKEE C=CCSc1nnc(Cc2ccccc2F)n1N=Cc1ccc(OCCCCC)cc1 2329761450 XMTRWRQTPAFRQT-UHFFFAOYSA-N 438.572 5.737 30 10 IKEE Cc1cccc(CSc2nnc([C@@H](C)c3ccccc3)n2N=Cc2sccc2C)c1 2330073859 XNMTUUVCGJRRIF-IBGZPJMESA-N 432.618 6.283 30 10 IKEE Clc1ccccc1CSc1nnc(Cc2cccs2)n1N=Cc1cccs1 2330393388 ZHWBICTUHHDIOJ-UHFFFAOYSA-N 431.011 5.820 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2-c2cccs2)cc1 2330557384 LHEASYATBPWXFN-UHFFFAOYSA-N 436.581 6.444 30 10 IKEE CCCOc1cccc(C=Nn2c(SCCc3ccccc3)nnc2-c2ccccc2)c1 2330675178 DRUPVFQBXPVHDC-UHFFFAOYSA-N 442.588 5.951 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3c(C)cccc3C)c(OC)c2)cc1 2330772766 OFFQECNGFYAUNG-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE CCOc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccccc2F)cc1 2330844904 SZWFHJBICJVGRY-UHFFFAOYSA-N 426.561 5.579 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc(Cl)c2)cc1)c1cccc(Br)c1 2330994551 QXHZNVNUKRBGAX-UHFFFAOYSA-N 441.708 6.218 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)Cc1ccccc1 2331115751 ZWWDFYVWYWFGBO-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2-c2ccco2)cc1 2331175930 YBLHSYRXNQLNKD-UHFFFAOYSA-N 434.540 6.149 30 10 IKEE Fc1ccccc1C=Nn1c(SCc2cccc3ccccc23)nnc1-c1ccco1 2331216433 QCLYWRWZGYAFLB-UHFFFAOYSA-N 428.492 6.005 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)c1cncc(C)c1 2331278681 BMFOIWFAPBHGLR-UHFFFAOYSA-N 435.907 5.866 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1OC(=O)c1ccccc1 2331279641 ZJFJOWGGUDNEEM-UHFFFAOYSA-N 431.444 5.417 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)Cc1ccc(F)cc1F 2331348639 LUQHZNPHOXQIHK-UHFFFAOYSA-N 440.417 5.465 30 10 IKEE COC(=O)c1ccc(CSc2nnc(C(C)(C)C)n2N=Cc2ccc(C(C)C)cc2)o1 2331394545 SQNBCRBSXSXHGK-UHFFFAOYSA-N 440.569 5.253 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OC(=O)COC 2331417883 XJJDCTAJTKPFDC-UHFFFAOYSA-N 430.928 5.484 30 10 IKEE COc1ccc(OC)c(C=Nn2c(CC(C)C)nnc2SCc2ccc(Cl)cc2)c1 2331467727 YUOCKYGRPBQOME-UHFFFAOYSA-N 444.988 5.322 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(C)C)n2N=Cc2ccc(Cl)cc2Cl)c1 2331701588 XFGLXYVNKOSNKB-UHFFFAOYSA-N 433.408 6.500 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cc(Cl)ccc3Cl)cc2)cc1C 2331704732 ZUOVWMVXPJKORY-UHFFFAOYSA-N 439.338 6.654 30 10 IKEE COc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1 2331764295 ATDNPCPTPNFFGW-UHFFFAOYSA-N 430.500 5.501 30 10 IKEE N#Cc1ccc(COc2cc(Br)cc(I)c2)c(Cl)c1 2338895125 MFGODPGIKODZJN-UHFFFAOYSA-N 448.485 5.158 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Oc2ccc([N+](=O)[O-])c(C#N)c2)ccc1Br 2370352478 BZQZDFPEMVUDMN-UHFFFAOYSA-N 434.246 5.368 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Br)c(Oc2cc(C(C)(C)C#N)ccn2)c1 2370354647 IJZJWHVMSCVLQG-UHFFFAOYSA-N 432.318 5.785 30 10 IKEE CCN(CC)c1ccc(/C=C2/S/C(=N\c3ccc(C)c(Cl)c3)NC2=O)c(OC)c1 6352760 PANTVYYITSYOMF-RGVLZGJSSA-N 429.973 5.395 30 10 IKEE CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1Cl 9861334 LYAHDSCFKXKAOR-QFIPXVFZSA-N 429.347 6.156 30 10 IKEE CC(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@@H]3c2cccnc2)cc1 17098991 NSRVIXAUPIXADV-JIPXPUAJSA-N 434.543 5.970 30 10 IKEE CCOc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(Cl)c(Cl)c1)C2 20885441 UPDCCTKTVVOTGL-GDBMZVCRSA-N 430.331 5.396 30 10 IKEE CCc1ccc(/N=C2/S/C(=C/c3cccc(OC)c3)C(=O)N2c2ccc(CC)cc2)cc1 33348039 OGDLPSCUKHXIFJ-IXTCTEKTSA-N 442.584 6.629 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2C1=O 33367655 DBKAOQPZCPGGSC-MTJSOVHGSA-N 435.273 5.593 30 10 IKEE CCOc1ccccc1/C=C/C(=O)c1ccc(OC(=O)c2ccc(OC)c(OC)c2)cc1 34954329 AYPRKUWWPOLMEA-RVDMUPIBSA-N 432.472 5.218 30 10 IKEE C=CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C(C)C)cc1)C(=O)C(C)C 36048120 GJEZTAHIOLTQJH-UHFFFAOYSA-N 444.579 5.272 30 10 IKEE C=CCC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)CC1CC1 36307326 UNPKEQHJLQCOMQ-QHCPKHFHSA-N 449.570 5.558 30 10 IKEE C=CCn1c(SCc2ccc(C(=O)N[C@H](C)CC)cc2)nnc1-c1ccccc1Cl 37398172 CQIRTIWPQCPQCF-MRXNPFEDSA-N 441.000 5.605 30 10 IKEE Cc1cc(OCc2ccc(F)cc2)cc2c1C(=O)/C(=C/c1ccc(-c3ccccc3)cc1)O2 41435638 LIZFLZZACVTPKV-YUMHPJSZSA-N 436.482 6.996 30 10 IKEE C=CCN1C(=O)c2ccccc2N[C@]1(CC)c1ccc(OCCOc2ccccc2)cc1 66133575 OFJWBYYMZJCZMS-MHZLTWQESA-N 428.532 5.461 30 10 IKEE CN(C)c1cc(C(F)(F)F)cc(-c2ccc(CC(=O)/C=N/c3ccccc3Cl)cc2)n1 95082531 HBRIVNYIWDSKAS-CCVNUDIWSA-N 445.872 6.001 30 10 IKEE CCN(CC)S(=O)(=O)c1ccc(/N=C/c2ccc3c(c2)c2ccccc2n3CC)cc1 100191610 BKBBPUJXTWRRSX-NLRVBDNBSA-N 433.577 5.596 30 10 IKEE CCCCCCCOc1cccc(NC(=O)c2cccc(I)c2)c1 100449104 CGKGHRNGUIMJBE-UHFFFAOYSA-N 437.321 5.893 30 10 IKEE COc1ccc(/C=C\C(=O)C(C(=O)/C=C\c2ccc(OC)cc2)=C2SCCS2)cc1 101461114 NEZJZZJLKJLEFJ-PVRNWPCDSA-N 438.570 5.260 30 10 IKEE CCCCCCCCCCCCCCCCn1c(CNC(=O)CC)nc2ccccc21 102215740 WPJOPBRNZGKCMW-UHFFFAOYSA-N 427.677 7.544 30 10 IKEE O=C1N/C(=N/c2ccccc2Cl)S/C1=C\c1cc([N+](=O)[O-])ccc1N1CCCCC1 108510901 JSFOSVVHBVNLMZ-UYRXBGFRSA-N 442.928 5.130 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\S(=O)(=O)c2ccc(C)cc2)c(Cl)c1 169908714 AAVSLMNSBWVXJU-BWAHOGKJSA-N 436.017 6.586 30 10 IKEE O=C1CCCC2=C1[C@@H](c1ccccc1OCc1ccc(Cl)c(Cl)c1)NC(=S)N2 169938936 JTKXILGPBAYKHR-HXUWFJFHSA-N 433.360 5.098 30 10 IKEE CCOc1c(Cl)cc(/C=N\Nc2nc(-c3c(C)cc(C)cc3C)cs2)cc1OC 169942691 DVRCDFYPOBZEIX-MYKKPKGFSA-N 429.973 6.242 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2cc(C)ccc2C)=C(O)C(=O)N1c1ccc(C)cc1C 169945198 HJMGIWBGCXXNIF-RUZDIDTESA-N 441.527 5.712 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1cccc(C)c1 169969590 SSIMUTSIEWJXPE-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 169974879 JOLRGZMEDNFDPR-XMMPIXPASA-N 441.527 5.776 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccs2)cc1Cl 169986575 KPRAXYRFCCZFCV-NRFANRHFSA-N 449.915 6.239 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2C)cc1 170029971 XEJVHKZDMFFFDD-HSZRJFAPSA-N 447.918 5.830 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2C2CCCC2)cc1 170033711 VQATYHKGFFHGNO-XMMPIXPASA-N 449.547 5.313 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(O)c(Cl)c1)c1cccc(Cl)c1 170042118 WRUCZOBWHXDVQJ-HXUWFJFHSA-N 446.330 5.610 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccc(F)cc2)c1 170060665 VZEFSPWGCHDCOQ-QFIPXVFZSA-N 435.426 5.065 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 170063215 YRXWMBUHHSCDMC-HXUWFJFHSA-N 442.273 5.915 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2cccc(O)c2)cc1C 170082183 JQOBYYAAZCMNGR-JOCHJYFZSA-N 435.426 5.070 30 10 IKEE CN(C)c1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2C2CCCC2)cc1 170129909 ZTFMSPGSDAXRJY-QHCPKHFHSA-N 430.504 5.020 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(O)cc2)cc1C(C)C 170138374 BTHRYJOPLOPFDY-QHCPKHFHSA-N 435.520 5.045 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C2CCCCC2)c1 170145471 TUTYRZYAKVWOSL-RUZDIDTESA-N 425.528 6.059 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1cccs1)c1ccc2c(c1)CCCC2 170155342 JEJRKFWFOCRBOD-JOCHJYFZSA-N 433.504 5.549 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@H]1c1cccc(OCC)c1 170217947 QSRJMHXMUCPRLI-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC(C)C)c3)[C@@H]2c2ccccc2)cc1 170227071 DUGPFFKWGIAJIY-VWLOTQADSA-N 441.527 5.813 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@@H]1c1ccc(Cl)cc1 170236080 ALKZNMGVVUUNFG-FQEVSTJZSA-N 448.346 5.771 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCCC)c2)[C@H]1c1c[nH]c2ccccc12 170255951 YKKGWIHGNQEDHY-XMMPIXPASA-N 446.547 5.725 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccccc2C)cc1C 170271971 GCYCMIYOXRCLPJ-XMMPIXPASA-N 443.499 5.109 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)c(Cl)c2)=C(O)C(=O)N1C[C@@H]1CCCO1 170273645 ZGBONHFGUYWFHI-YWZLYKJASA-N 446.330 5.059 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2ccc(F)cc2F)o1 170305937 VWMISSMFOPSSHH-HSZRJFAPSA-N 445.421 5.802 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1c1ccccc1O 170314461 WRTMEZZJYMWOPD-FQEVSTJZSA-N 430.485 5.026 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCC)c1 170323568 YVGDOMDWHQHIBQ-DEOSSOPVSA-N 433.548 5.343 30 10 IKEE CCN(CC)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2C)cc1 170396560 CWXLWIJIJDLLGW-VWLOTQADSA-N 440.543 5.624 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2c(C)[nH]c3ccccc23)c1 170403333 MMDYIYWYVLGZAW-XMMPIXPASA-N 437.499 5.271 30 10 IKEE COc1ccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(OCC(C)C)cc2)cc1 170427912 SUWBJRPOQMKEPW-JOCHJYFZSA-N 437.536 5.245 30 10 IKEE CC(C)c1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccccn3)sc2c1 170479424 QKPASUBTFXZVNI-FQEVSTJZSA-N 445.500 5.191 30 10 IKEE CCCC/C=C\CCCCCCCCCCCCCC1=C(O)C(=O)C(C)=C(OC)C1=O 199450162 REGDQUCFNLAVKM-FPLPWBNLSA-N 432.645 7.688 30 10 IKEE CC(=NOCc1cccc(F)c1)c1cc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)c1C 254405510 GKKGELWVQXBLCN-UHFFFAOYSA-N 434.461 6.811 30 10 IKEE COc1cc(C=Nc2ccccc2Sc2c(C)n[nH]c2C)ccc1OCc1ccccc1 254516205 CKQVCJRJNJCLRG-UHFFFAOYSA-N 443.572 6.516 30 10 IKEE Cc1ccc(-n2c(-c3ccccc3)cc(C=Nc3ccc(C)c(C)c3)c2-c2ccccc2)cc1 263629013 OODUHXMMNGXGIV-UHFFFAOYSA-N 440.590 8.487 30 10 IKEE N#CCCCCCOc1c(Br)cc(Br)cc1Br 385375507 MBPRAALEUYEDGW-UHFFFAOYSA-N 425.946 5.437 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Br)ccc1C)NCCC 407531419 QTOBTMZFSOUDPB-MOPGFXCFSA-N 425.411 5.138 30 10 IKEE CCOc1cccc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 526488623 QKTVAEGARZYSFC-QHCPKHFHSA-N 430.891 5.668 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2sccc2C)c1 526603907 ILDNUOAQUNFGSV-JOCHJYFZSA-N 430.529 5.774 30 10 IKEE COc1ccc2ccccc2c1/C=N\n1cnnc1SCc1c(F)cccc1Cl 526817483 WHDRJVNKGKSUOF-GATIEOLUSA-N 426.904 5.407 30 10 IKEE CCCOc1cc(/C=N\n2c(CCC)nnc2SCc2cccc(F)c2)ccc1OC 526825200 OFBCRQIMMUFTQA-MYYYXRDXSA-N 442.560 5.342 30 10 IKEE CCOc1ccc2ccccc2c1/C=N\n1c(C)nnc1SCc1ccc([N+](=O)[O-])cc1 526828348 GLBNGTWAIIZZBR-OYKKKHCWSA-N 447.520 5.221 30 10 IKEE C=C(C)CC[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCC 686826240 IBIXQROJWMVWGC-HSZRJFAPSA-N 429.649 5.270 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCN(C(=O)OC(C)(C)C)[C@H]1C 698484410 OBBCGHIXIUYDLG-UUOWRZLLSA-N 429.561 5.418 30 10 IKEE COc1ccc(Br)cc1[C@H](C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 698826088 QOCROJWNXHITOJ-INIZCTEOSA-N 437.359 5.521 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@H](C#N)c1c(Br)cncc1Br 698840990 PMFFGQPKGNKHKV-CYBMUJFWSA-N 447.171 5.064 30 10 IKEE Cc1cc(C)c(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2cccc(O)c2)c(Cl)c1 762445280 LVMJRSSKCJGEEB-UHFFFAOYSA-O 436.944 5.145 30 10 IKEE N#Cc1ccccc1Oc1ccccc1COC(=O)CCCc1nc(O)c2ccccc2n1 1521370396 BMOHPMKWWGPHGJ-UHFFFAOYSA-N 439.471 5.065 30 10 IKEE CCCCOc1ccc(/C=C2/SC(=Nc3ccncc3Cl)N(C)C2=O)cc1OC 1772732089 CKIOKWDMKVTGSS-DGIAZZNKSA-N 431.945 5.156 30 10 IKEE O=C1/C(=C\c2ccc(Br)cc2)SC(=Nc2nccs2)N1C1CCCCC1 1772736446 UKNVBSGRDZJOFX-KBQFJHCTSA-N 448.411 5.842 30 10 IKEE Cc1nnc(N=C2S/C(=C/c3c(F)cccc3Cl)C(=O)N2C2CCCCC2)s1 1772739734 VSGDEZJHQZUXCR-BTWTVLLVSA-N 436.965 5.576 30 10 IKEE Cc1c(N=Nc2c(Cl)cccc2Cl)c(O)n(CCc2ccccc2)c(=O)c1C#N 1772741053 RWEMZMVRHVHBBZ-UHFFFAOYSA-N 427.291 5.699 30 10 IKEE COc1ccc(-c2ccc(C(=O)Nc3sc4c(c3C#N)CCCC4)c(C)n2)cc1OC 1859759640 MMXSHSIZVPGLIV-UHFFFAOYSA-N 433.533 5.139 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862394413 GDNQUIRYHSSAOV-XDHUDOTRSA-N 430.548 5.887 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(OC)c1 1862445260 RLSIDTQBNZEOQX-NRFANRHFSA-N 427.928 5.507 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccccc2Cl)cc1 1862476352 JDBFVDQLBWCNLE-NRFANRHFSA-N 427.928 5.042 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccccc2C)c1 1862490227 QIFKKUOWQBZRHC-XMMPIXPASA-N 429.491 5.529 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCCOC(C)C)cc1 1862501513 DRNVNRPPVMZZAC-QHCPKHFHSA-N 439.527 5.090 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862532692 YFMHUIDNHKMJKW-DEOSSOPVSA-N 433.592 6.315 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2[C@H](C)CC)cc1 1862550094 CRRSPQNKMOVWIZ-IQGLISFBSA-N 447.575 5.731 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2cc(C)ccc2C)cc1 1862589680 QJRCEGMQCJDNLF-DEOSSOPVSA-N 427.500 5.096 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862616851 TWSIEORTWMIRJQ-XMMPIXPASA-N 442.559 5.986 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2Cc2cccs2)cc1 1862648632 GXTRYHJEHCYBHL-DEOSSOPVSA-N 439.536 5.988 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2Cc2ccccc2)c1 1862649386 XAPAHMYTUXTNBC-AREMUKBSSA-N 433.507 5.927 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc(Cl)c1 1862652881 LTBWEOYUMFPCPI-QFIPXVFZSA-N 435.907 5.108 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862659640 BRDFSHCWTBAEFI-RUZDIDTESA-N 425.528 5.897 30 10 IKEE CC(C)(C)c1ccccc1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccccc2F)C1=O 1862933567 VYVJUXKOPBKQDG-UHFFFAOYSA-N 439.490 5.391 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C)c(C)c2)=C(c2ccc(OC)cc2)C1=O 1863324242 ISMFQEZZDIMFIT-UHFFFAOYSA-N 434.580 5.865 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C)c(C)c2)=C(c2ccccc2Cl)C1=O 1863439562 QUELGPWZFCATAW-UHFFFAOYSA-N 438.999 6.509 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCC)=C(c2cc(Cl)ccc2Cl)C1=O 1863730105 MWLOPULRHFTOEY-UHFFFAOYSA-N 425.400 5.824 30 10 IKEE C[C@@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C#N)cc1)c1cccc(Cl)c1 1867170273 UZWTYUUZTPYLAZ-UUOWRZLLSA-N 445.950 5.071 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)NCCc2ccccc2)c(=O)cc1C 1870094694 JPGZWUIXXAYEKE-UHFFFAOYSA-N 426.601 5.035 30 10 IKEE CC(C)c1ccccc1-n1nnc(C#N)c1NC(=O)/C=C/c1ccc(Cl)c(Cl)c1 1870142626 REDVITNSLZZDAZ-CSKARUKUSA-N 426.307 5.221 30 10 IKEE C=CCOc1cn(Cc2ccc(C)cc2)c(CSCc2nc3ccccc3[nH]2)cc1=O 1870245003 SQNMBMJKVCKCRD-UHFFFAOYSA-N 431.561 5.080 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc(C)c2)cn1Cc1ccccc1F 1870622603 MQJTUMQELSGCAM-UHFFFAOYSA-N 432.539 5.097 30 10 IKEE Cc1nc(-c2ccc(Oc3ccc(F)cc3)cc2)sc1C(=O)Nc1ccc(C#N)cc1 1871275130 RDPZJXOBPCHWIC-UHFFFAOYSA-N 429.476 6.174 30 10 IKEE COC(=O)c1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN([C@H]2CCCC[C@@H]2C)C4)cc1 1871351352 WMFHYOJNZHXMNG-QKVAYCKHSA-N 447.531 5.128 30 10 IKEE CCc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(CCCN(CC)CC)C4)C2=O)cc1 1871354887 GRSCXWZSDDBVGX-IWIPYMOSSA-N 434.580 5.057 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OC(=O)COc4ccc(Cl)cc4)c3C)C2=O)cc1 1871381480 XCAGESNCNKKFLG-XKZIYDEJSA-N 434.875 5.557 30 10 IKEE Cc1cc(OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc2c1C(=O)/C(=C/c1cccc(F)c1)O2 1871382585 XUPGWGUOLDTSLL-JEUHMODBSA-N 445.402 5.277 30 10 IKEE Cc1cc(OC(=O)/C=C/c2ccccc2)cc2c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O2 1871385448 SUAPCXPKNCQMER-RQAATEJQSA-N 438.523 6.528 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1 1871387704 KTASQHPHVOIOAA-QQXSKIMKSA-N 442.511 6.434 30 10 IKEE O=C1/C(=C/c2ccccn2)Oc2c1ccc(O)c2CN(Cc1ccccc1)Cc1ccccc1 1871396600 OGRKTEQTSUANAE-PKAZHMFMSA-N 448.522 5.606 30 10 IKEE CCCCCCOc1cc(C)c2c(c1)O/C(=C\c1cc(OC)c(OC)c(OC)c1)C2=O 1871399859 XYBZOGNIMFYVRJ-NDENLUEZSA-N 426.509 5.596 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc(O[C@@H](C)C(=O)Nc3ccc(F)cc3)c2C)C1=O 1871400772 KPBXYPIFDFMPRD-DKNZLLBESA-N 437.492 5.526 30 10 IKEE Cc1ccccc1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1sccc1C)C2=O 1871410332 YHRBPTYOUWKZFD-WBRURWICSA-N 433.529 5.696 30 10 IKEE Cc1c(OCC(=O)N[C@@H](C)c2ccccc2)ccc2c1O/C(=C\C=C\c1ccccc1)C2=O 1871424644 QKJXEUBCNMHPKM-AFDGCWLTSA-N 439.511 5.424 30 10 IKEE CCCCCOC(=O)COc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O 1871427068 MACZKZXWNJIREQ-NDENLUEZSA-N 435.303 5.722 30 10 IKEE CC(=O)c1ccccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(C)cc1)C2=O 1871441661 GZEJPELLNVIAQM-CFRMEGHHSA-N 441.483 5.140 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccc(Cl)cc2)C3=O)c1 1871456298 XONUCCWYTCLABB-XKZIYDEJSA-N 433.891 5.591 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)S(=O)(=O)CC 1872332584 JQEJLLTXDOLFNS-HSZRJFAPSA-N 436.662 5.659 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccccc1CC)[C@@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872496174 VPZDMULEDPPPDX-MHECFPHRSA-N 442.625 5.096 30 10 IKEE N#C[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872759229 HSWQYPFPOFFDBX-NRFANRHFSA-N 425.469 5.875 30 10 IKEE N#C[C@@H](C(=O)c1cc(Cl)ccc1Cl)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872768849 DGNAXZLBOPVSRQ-LBPRGKRZSA-N 442.154 6.914 30 10 IKEE Cc1cc(C)c(-c2csc([C@H](C#N)C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)c(C)c1 1872786881 VIPSBLWZYVNYHW-QGZVFWFLSA-N 436.449 5.042 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(OCCC)cc2)=C(c2ccccc2)C1=O 1873415652 VSIFVTRZAVZEMD-UHFFFAOYSA-N 434.580 6.028 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)N(CCCC)CCCC)n2CC(C)C 1873552347 PRPHKCALLCCIIY-UHFFFAOYSA-N 425.621 5.308 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(Cl)c(C)c1)n2CCCC 1873656711 IQPVGTWZPJAERC-UHFFFAOYSA-N 437.975 5.624 30 10 IKEE C=CCSc1nnc(COc2ccccc2OCC)n1/N=C/c1c(F)cccc1Cl 1874242961 HMBCPHWCRGUOTF-ZMOGYAJESA-N 446.935 5.209 30 10 IKEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1cc(Cl)ccc1O 1874284577 NTQLYLGMFUAJOV-YDZHTSKRSA-N 433.364 5.236 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1cn(C)c2ccccc12 1874342143 AOLXBGVXVWHYPK-DHRITJCHSA-N 435.984 5.564 30 10 IKEE COc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2ccc(F)cc2)cc1 1874350875 ILDAWGOHQUAXCC-OVVQPSECSA-N 446.551 5.234 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2F)cc1C 1874358594 PNTKFJONFVOKLZ-JVWAILMASA-N 430.552 5.799 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874380562 ZDTRZYXNAHFRFW-FOKLQQMPSA-N 445.907 5.120 30 10 IKEE COc1cccc(/C=N/n2c(SCc3cccc(F)c3)nnc2[C@@H](C)c2ccccc2)c1 1874393001 AONMKBLOTIGNOD-NLTKLDOMSA-N 446.551 5.752 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2F)n1/N=C/c1ccccc1F 1874395275 IUSZJDVPKJLGMM-VSWHYLHOSA-N 434.515 5.883 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@@H](C)c3ccccc3)n2/N=C/c2cccs2)c1 1874398799 FLMZAIMUHNWBMZ-QVWJKXSPSA-N 432.618 6.283 30 10 IKEE COc1cccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccccc2)c1O 1874407857 SODDXKPJVPPISK-PCLIKHOPSA-N 436.581 5.290 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2-c2cccs2)c1 1874424075 SUPRTHXTHAPZFW-WGOQTCKBSA-N 440.597 6.643 30 10 IKEE CN(C)c1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccccc2Cl)cc1 1874439442 BAELWOINHRJQRP-MFKUBSTISA-N 442.032 5.761 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCCC3)n2/N=C/c2cc(Cl)ccc2O)c1 1874455605 ASCQOWYUEYEJAG-DHRITJCHSA-N 441.000 6.086 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2)nnc1C1CCCC1 1874457620 YAILZGUSMJCRMA-ZVHZXABRSA-N 426.973 5.772 30 10 IKEE FC(F)(F)c1nnc(SCc2ccccc2Cl)n1/N=C/c1cccc2ccccc12 1874461192 AYEOMQIEXDAJNC-RPPGKUMJSA-N 446.885 6.278 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874477173 NCSXGBBMYBMPRQ-WYMPLXKRSA-N 437.371 6.241 30 10 IKEE C=C(C)CSc1nnc(C(C)(C)C)n1/N=C/c1ccc(OCCCCC)c(OCC)c1 1874482128 WJHOYUYHHWJWCK-PCLIKHOPSA-N 444.645 6.094 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C2CCC2)c1 1874497755 YRNZWVHYJOBFAG-WYMPLXKRSA-N 447.391 6.036 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(C)n2/N=C/c2ccc(Cl)cc2Cl)c1 1874529518 NVNLEDCORLJVDQ-AUEPDCJTSA-N 448.379 5.123 30 10 IKEE O=C(/C=C/c1c(OCc2cccc(F)c2)ccc2ccccc12)c1cccc([N+](=O)[O-])c1 1874570268 UPQLFHIYKWWGBK-OUKQBFOZSA-N 427.431 6.362 30 10 IKEE CCc1ccc(NC(=O)COc2c(/C=C/C(=O)c3ccc(Cl)cc3)cccc2OC)cc1 1874578252 DMWUMZSJMJILNL-LFIBNONCSA-N 449.934 5.825 30 10 IKEE Cc1ccc(NC(=O)COc2cccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)c2)cc1 1874594103 SIPBEQVRMOESMD-LFIBNONCSA-N 425.528 5.787 30 10 IKEE O=C(Cc1ccc(Cl)cc1)Oc1cccc(/C=C/C(=O)c2ccc3ccccc3c2)c1 1874692407 FEBMNCSDQGQVQF-XNTDXEJSSA-N 426.899 6.537 30 10 IKEE CCc1ccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c(C)c3)c2)cc1 1874696287 QCSGGMROOVOJJX-NTCAYCPXSA-N 428.528 6.000 30 10 IKEE C[C@H](Oc1ccc(Cl)cc1)C(=O)Oc1cccc(/C=C/C(=O)c2ccc(F)cc2F)c1 1874699876 QVSILHCEAIXVSL-LYOQKUPSSA-N 442.845 5.887 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(OC)c(OC)c3)c2)cc1 1874701407 RGCQFOOUNRHTDH-RIYZIHGNSA-N 432.472 5.218 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3c(F)cccc3Cl)c2)c(C)c1C 1874711648 FJCWGHBFLRRRCC-ZRDIBKRKSA-N 438.882 6.220 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)C(C)(C)C)c(OC)c2)cc1OC 1875098601 FQTKASZBUOGGIX-VQHVLOKHSA-N 432.900 5.213 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1OC 1875105819 OCZPCDPRXZULJJ-XYOKQWHBSA-N 435.347 6.774 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)cc1)c1ccccc1Cl 1875111477 IZLFWPOIRIXPKZ-TUMWZFRQSA-N 437.322 6.599 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1ccccc1Cl 1875184359 ATCKWUWAGHRMKA-PKNBQFBNSA-N 434.919 6.389 30 10 IKEE C=CCn1c(C(=O)N(CCCC)CCCC)cc2c(NCc3ccccc3C)ncnc21 1875230347 VLCSJKMYNVYXNJ-UHFFFAOYSA-N 433.600 5.580 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@H](C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1880102211 RYFIDYBTXUMOOW-PMACEKPBSA-N 429.561 5.105 30 10 IKEE O=C(Nc1cc(F)cc(C(F)(F)F)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 1891501912 LQJLCSYTVYTMLV-UHFFFAOYSA-N 435.343 5.217 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(CCC[C@]2(C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)C1 1918265114 RQYXQQDIIHSSPW-LOSJGSFVSA-N 447.620 5.630 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1c(F)ccc(NC(=O)OC(C)(C)C)c1F 1922090838 CWGVFZBHQQHJPU-QHCPKHFHSA-N 446.538 6.126 30 10 IKEE CC(C)N(C(=O)OC(C)(C)C)[C@]1(C#N)[C@H](CNC(=O)OC(C)(C)C)CCCC12CCC2 1924819347 VCRGTWGTDCHLCR-MHECFPHRSA-N 435.609 5.389 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 1944568193 YQIQFZJWMVYLNB-KOSHJBKYSA-N 429.561 5.405 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@@]1(C#N)CCCC[C@@H]1OCc1ccccc1 1998819221 RKLSJKYHUWEISU-WIOPSUGQSA-N 440.971 6.503 30 10 IKEE C=CCCCCCCCC[C@H](O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2026311879 DLMWZZNKZVJPRK-YFNKSVMNSA-N 433.633 6.153 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCC[C@@H]2NC(=O)OC(C)(C)C)cc1 2031466561 URZOCXHOHPFLGZ-YADARESESA-N 445.560 5.166 30 10 IKEE O=C(C=Cc1ccc(Cl)cc1)N=C1c2ccccc2CN1c1cccc(C(F)(F)F)c1 2053621585 NKMXOTFNSBUBAH-UHFFFAOYSA-N 440.852 6.366 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1CN(C(=O)OC(C)(C)C)CC12CCCC2 2054785274 ACTQMRNXEKDBAH-DNQXCXABSA-N 442.644 5.555 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)c(C)c(Br)c1)NCC 2063094788 KPXBIJCLRGHVIS-IAGOWNOFSA-N 431.802 5.011 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@H]2CN(C(=O)OC(C)(C)C)C(C)(C)C2)cc1 2073118795 NUUNBEDYUQEKRY-ICSRJNTNSA-N 443.588 5.664 30 10 IKEE CC[C@H](c1ccc(C)c(F)c1F)n1nc(C(C)C)c(C=NO)c1I 2079892624 CNYAKHHIQCLKOJ-CYBMUJFWSA-N 447.267 5.005 30 10 IKEE Fc1cccc(C(F)(F)F)c1-c1c(C(F)(F)F)nn(C(F)(F)F)c1Br 2080760200 KRERGJATVJKEHQ-UHFFFAOYSA-N 445.054 5.966 30 10 IKEE COc1cc(-c2cc(Cl)n3nc(C4CCCCC4)c(C#N)c3n2)nc(C(F)(F)F)c1 2081265440 PFZLDZTWRYMCKL-UHFFFAOYSA-N 435.837 5.391 30 10 IKEE CC(C)N[C@]1(C#N)C[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)CC(C)(C)C1 2127181863 LYGPZYUEFIREPS-LMSSTIIKSA-N 446.683 5.460 30 10 IKEE CCN[C@@H](CC#C[Si](C)(C)C)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2130923105 FVHZULVEFSNQKJ-SFHVURJKSA-N 439.470 5.718 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCC(Nc3ccc(Br)c(C#N)c3)CC2)C1 2155995994 ZPPJMBPLMHFBLF-UHFFFAOYSA-N 434.378 5.302 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1cccc2c1COC2 2156055902 UVTSHHQDHKJFMM-LJQANCHMSA-N 429.314 5.486 30 10 IKEE CC(C)(C)OC(=O)NC1(c2cccc(Nc3cccc(Br)c3C#N)c2)CC1 2169061562 NCNOJBKLPRPNIW-UHFFFAOYSA-N 428.330 5.578 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1CN(c1cc(Br)cc(C#N)c1)C1CC1 2174810289 KTIHULLIVCWCER-SFHVURJKSA-N 434.378 5.079 30 10 IKEE CC(C)(C)OC(=O)Nc1ccccc1OCCNc1cc(Br)cc(C#N)c1 2183231605 NHGFZINUPYHOND-UHFFFAOYSA-N 432.318 5.159 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C 2235730305 OQOAUBWQIOBOLH-PKOBYXMFSA-N 437.422 5.108 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)C[C@@H](NC(=O)OC(C)(C)C)C(C)C 2235736474 YHQQUKYTXATTEG-AZUAARDMSA-N 437.422 5.108 30 10 IKEE O=C1C(=Cc2ccc(O)cc2)SC(=Nc2ccccc2)N1CCc1c[nH]c2ccccc12 2294025429 WUBWAPCCYPOPQB-UHFFFAOYSA-N 439.540 5.720 30 10 IKEE Cc1nc2ccc(N=C3SC(=CNc4ccc(C)c(Cl)c4)C(=O)N3C)cc2s1 2295213171 NRNLJULMUJRGLZ-UHFFFAOYSA-N 428.970 5.713 30 10 IKEE COc1cccc(N=Cc2ccc(OC(=O)C=Cc3ccc(Br)cc3)cc2)c1 2297321763 ILOPUQYPAWQKGW-UHFFFAOYSA-N 436.305 5.827 30 10 IKEE O=C(C=CNc1ccc(-c2ccc(NC=CC(=O)c3cccnc3)cc2)cc1)c1cccnc1 2297532564 YHXPDHJDRWYOGT-UHFFFAOYSA-N 446.510 5.761 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@@H]3CC[C@@H]32)cc1 2309990221 PBRXVVQRLMWZQZ-WZOHSFFVSA-N 441.572 5.418 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)c4ccc(Br)cc4)ccc3C2=O)cc1 2314437215 GKGIITGEUYGNTB-UHFFFAOYSA-N 449.300 5.847 30 10 IKEE Cc1ccc(C)c(COc2ccc3c(c2)OC(=Cc2ccc(Br)cc2)C3=O)c1 2314437625 RIVOXQVYBIDCGC-UHFFFAOYSA-N 435.317 6.261 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1ccccc1Cl)C2=O)c1ccc(Cl)cc1 2314438376 QIXYCPJWZBUBNM-UHFFFAOYSA-N 425.267 5.871 30 10 IKEE O=C1N=C(NN=Cc2ccccc2)SC1=Cc1ccc(-c2cccc(Cl)c2Cl)o1 2314482528 NECBKSVAAYVJFY-UHFFFAOYSA-N 442.327 5.847 30 10 IKEE COc1ccc(OC)c(C=C2Oc3c(ccc(OCc4ccccc4Cl)c3C)C2=O)c1 2321762206 JDKRKZVGHGDTSP-UHFFFAOYSA-N 436.891 5.861 30 10 IKEE CCCc1nnc(SCc2ccccc2)n1N=Cc1ccc(-c2ccccc2Cl)o1 2321766835 PJCOHZZYYKBCFO-UHFFFAOYSA-N 436.968 6.319 30 10 IKEE Sc1nnc([C@H]2CCCO2)n1N=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2321884206 JALSJODPDHAMJJ-GOSISDBHSA-N 449.363 5.186 30 10 IKEE CCCCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(Cl)c(Cl)c1)C3=O 2322083205 HELVVOPUZZYHAS-UHFFFAOYSA-N 446.374 6.650 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=CC=Cc1ccccc1)O3)CN(Cc1cccc(Cl)c1)CO2 2322214327 FKUIWGCLVPTIJC-UHFFFAOYSA-N 443.930 6.173 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1c(Cl)cccc1Cl)C3=O)CN(C1CCCCC1)CO2 2322328596 DGVWBGGGQNXELF-UHFFFAOYSA-N 444.358 6.403 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCc2cccc(C)c2)cc1C 2322415822 WIKFDRGGOPUMNR-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE Cc1c2c(cc3c1OC(=CC=Cc1ccccc1)C3=O)CN(CCCc1ccccc1)CO2 2322427588 HGLYJPSCIFTVEF-UHFFFAOYSA-N 437.539 5.952 30 10 IKEE Cc1cccc(CN2COc3c(cc4c(c3C)OC(=Cc3ccccc3Cl)C4=O)C2)c1 2322432490 OQVGQCFWNRCEFX-UHFFFAOYSA-N 431.919 5.925 30 10 IKEE O=C(C=Cc1cc(Br)ccc1OCc1ccccc1F)c1cccc(Cl)c1 2322521741 QAKVETKHIHWJSP-UHFFFAOYSA-N 445.715 6.717 30 10 IKEE Cc1cc(OC(=O)Cc2cccs2)cc2c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O2 2322868609 BKSNXRGSZMNQOQ-UHFFFAOYSA-N 445.323 6.128 30 10 IKEE COC(=O)c1ccc(COc2ccccc2C=CC(=O)c2cc(Cl)cc(C)c2OC)o1 2322926810 MLJNBPQPPALXKO-UHFFFAOYSA-N 440.879 5.512 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccccc1OCc1c(Cl)cccc1Cl 2323022175 JBGWGHIYLAHKNN-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(OC)c(OC)c2OC)c1OCc1ccc(C)cc1 2323039057 WEOMDDFUHFSVMT-UHFFFAOYSA-N 448.515 5.505 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O)c1cc([N+](=O)[O-])ccc1Cl 2323231771 LUXUQCQMHBZYBF-UHFFFAOYSA-N 447.830 5.640 30 10 IKEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1ccc(F)cc1 2323370692 DWUQFWAFGMOTOR-UHFFFAOYSA-N 437.423 5.226 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OCc3cc(C)ccc3C)c(OC)c2)c1 2324035048 PBNNRNCIYNGKHZ-UHFFFAOYSA-N 432.516 5.804 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Br)c(OCC)c(OC)c2)c(OCC)c1 2324495472 DGDOHTBOJCDWQM-UHFFFAOYSA-N 449.341 5.550 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCCCCOc4ccccc4C)ccc3C2=O)cc1 2324595478 NQGCERGCZGOFEX-UHFFFAOYSA-N 444.527 6.248 30 10 IKEE COC(=O)c1cccc(COc2ccc3c(c2C)OC(=Cc2ccc(N(C)C)cc2)C3=O)c1 2324753215 RARNURSRSWMOER-UHFFFAOYSA-N 443.499 5.043 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)C=Cc3ccc4c(c3)OCCO4)n2)cc1C 2324825567 BPJVBKBPSAFNLI-LJQANCHMSA-N 446.528 5.096 30 10 IKEE CCCOC(=O)[C@H](CC)Oc1ccc2c(c1C)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2325086508 SXZIIACMUTYTIS-SFHVURJKSA-N 449.330 6.029 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1cc(C)c2c(c1)OC(=Cc1cccc(F)c1)C2=O 2325092846 YZBLUSBRGKLPQH-NRFANRHFSA-N 440.511 6.031 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1ccncc1)C2=O 2325145383 ITTFUFAKHTZASA-GOSISDBHSA-N 428.488 5.029 30 10 IKEE Cc1ccccc1C=Nn1c(Cc2ccccc2)nnc1SCc1ccccc1Cl 2325490399 KQXKLEXPTZNAAF-UHFFFAOYSA-N 432.980 6.005 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(Cl)cc4F)cc(C)c3C2=O)o1 2325490984 JXTCVRCFPUKFRM-UHFFFAOYSA-N 441.842 5.323 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cc(Cl)ccc3OC)c2)cc1C 2325714512 HAWZFGXJKUWRDY-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE CN(C)c1ccc(C=C2Oc3cc(OCC(=O)Nc4cccc(Cl)c4)ccc3C2=O)cc1 2325716957 NAXNMNGATGJVDZ-UHFFFAOYSA-N 448.906 5.040 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OC(=O)c3ccc(F)c(F)c3F)c2)c1 2325744424 MHASIRRNYPKYML-UHFFFAOYSA-N 442.389 5.236 30 10 IKEE COc1cccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c(C)c3C)c2)c1 2325755781 YXCISCZOZJQJGZ-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1N=Cc1ccccc1C 2325863896 MYZSLBWZQJGEIJ-UHFFFAOYSA-N 448.636 6.056 30 10 IKEE CCSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1ccc(O)cc1 2325883243 NGSUBJUOPIHPKC-UHFFFAOYSA-N 432.549 5.143 30 10 IKEE CSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1ccc(Cl)cc1 2325907141 QFEQNTJMBNHHJX-UHFFFAOYSA-N 427.744 5.421 30 10 IKEE CCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccccc1Cl 2326060676 YHMCDZKOUOKSPN-UHFFFAOYSA-N 435.380 5.591 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1ccc(Br)cc1 2326415916 GOTDCNSSDCLVKF-UHFFFAOYSA-N 443.414 5.784 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1ccc(OCCC)cc1 2328945557 RAGRRQHNXLPATR-UHFFFAOYSA-N 448.636 6.019 30 10 IKEE Fc1ccccc1CSc1nnc(Cc2cccs2)n1N=Cc1ccc(Cl)cc1 2330393242 LMOVOWJSAYCHCF-UHFFFAOYSA-N 442.972 5.897 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1cccnc1 2330694266 GFMHQOKNYDUMOM-UHFFFAOYSA-N 427.500 5.474 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CC(C)C)c(Br)c2)cc1OC 2330718735 YIHTXXBQCSVZGL-UHFFFAOYSA-N 447.325 5.314 30 10 IKEE Cc1ccc(CSc2nnc([C@H]3CCCO3)n2N=Cc2ccc(C(C)(C)C)cc2)cc1 2330888941 CPVFSJDOTLBXJC-JOCHJYFZSA-N 434.609 5.910 30 10 IKEE O=C(Cc1ccc(F)cc1F)Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1Cl 2330913348 QSUKNLWWTBPOND-UHFFFAOYSA-N 447.264 6.316 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Br)c2)ccc1OC(=O)CC(C)(C)C 2331015940 OVYJXJFFFXTWMB-UHFFFAOYSA-N 431.326 5.695 30 10 IKEE Fc1cccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C2CCCC2)c1 2331101269 KENDHPJQFSXDDS-UHFFFAOYSA-N 432.927 6.042 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1 2331411983 YWEJQARMTAXQSK-UHFFFAOYSA-N 442.555 6.427 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1ccccc1Cl 2331448827 FJYYIOXYJZJOSY-UHFFFAOYSA-N 436.847 5.193 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)cc(Cl)c1OC(=O)c1ccccn1 2331468454 NEAKNGZVYVBJHF-UHFFFAOYSA-N 443.886 6.012 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C(C)C)cc1 2331702161 UGAWOCCNBRMTBC-UHFFFAOYSA-N 442.032 6.076 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2cc(Cl)ccc2OC)cc1OCC 2331877359 VMBBWAJBBDMPCQ-UHFFFAOYSA-N 437.319 6.002 30 10 IKEE C[C@H](NC(=O)OC(C)(C)C)C(C)(C)COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339596672 RNOAPMCPMCZSMY-KRWDZBQOSA-N 446.397 5.044 30 10 IKEE CN(Cc1ccccc1)[C@H]1CCCCN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2365126634 VOJBUCJPTCXYFM-JOPBRCQMSA-N 447.432 5.217 30 10 IKEE CCN(CC)c1ccc(/C=N/c2ccc(S(=O)(=O)Nc3c(C)cc(C)cc3C)cc2)cc1 12583240 RDRKWQQGWYCZNS-OVVQPSECSA-N 449.620 6.009 30 10 IKEE CC[C@H](Sc1nc(-c2ccccc2)cc(-c2cccc(OC)c2OC)c1C#N)C(=O)O 22868815 VEBLRUKMYSYNRI-NRFANRHFSA-N 434.517 5.260 30 10 IKEE C=CCn1c(SCc2ccc(C(=O)Nc3ccccc3C)cc2)nnc1-c1ccco1 39850656 WHXODAVNSSPQJG-UHFFFAOYSA-N 430.533 5.577 30 10 IKEE C=CCN1C(=O)c2[nH]nc(-c3cc(Cl)c(C)cc3O)c2[C@H]1c1ccc(OCCC)cc1 39914520 OLUKPSGTXZXSLP-HSZRJFAPSA-N 437.927 5.264 30 10 IKEE Cc1c(C(=O)Nc2ccc(F)cc2)oc2c1/C(=N/NC(=S)Nc1ccccc1)CCC2 40825262 RIWKJZNNCMZXQD-OVVQPSECSA-N 436.512 5.006 30 10 IKEE COc1cccc2cc(C(=O)Oc3ccc4c(c3C)O/C(=C\c3cccs3)C4=O)oc12 41353901 XTQHRFGTPJBCDZ-UNOMPAQXSA-N 432.453 5.647 30 10 IKEE Cc1ccc(N/N=C2\C(=O)N(Cc3cccc4ccccc34)c3ccccc32)cc1Cl 59156779 XPUIZGBXYIOELI-GNVQSUKOSA-N 425.919 6.165 30 10 IKEE Cc1nc(N/N=C/c2ccc(OCc3ccccc3)cc2OCc2ccccc2)sc1C 59386982 ZZPLFIIEGISLOA-JVWAILMASA-N 443.572 6.364 30 10 IKEE CCCCCCCCCCCCCCCCNCc1cccc(OCc2ccccc2)c1 100125592 YWIUTDMVRKHAMV-UHFFFAOYSA-N 437.712 8.837 30 10 IKEE CCCCCCCCCCCCCCCCCCCCCC(=O)N(C)C1CCCCC1 100462036 QDSZYNXPRYQCPH-UHFFFAOYSA-N 435.781 9.599 30 10 IKEE CCCCCCCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(F)cc1 101286294 ZKTBALKEUPJCNQ-DEOSSOPVSA-N 435.543 6.368 30 10 IKEE CCCCCCCCCCCCCCCCCCn1c(-c2ccco2)nc2ccccc21 102193711 MFXGZCOACNRXPF-UHFFFAOYSA-N 436.684 9.558 30 10 IKEE N#Cc1ccc(N2C(=S)C3(CCCCC3)[C@H](N3CCCCC3)/C2=N/C2CCCCC2)cc1 105422074 SMXIDLKERQIBJL-DDXGQXFKSA-N 448.680 6.242 30 10 IKEE CCCCCCCCCCC[C@@H](NC)c1cc(Br)c(Br)s1 128171406 LSHILFSXDVUCNN-OAHLLOKOSA-N 439.301 7.455 30 10 IKEE COC1=CC(Br)=C/C(=C\Nc2ccc3oc(-c4cccc(C)c4)nc3c2)C1=O 136080387 LVOKWXWHYVWOFE-NTCAYCPXSA-N 437.293 5.491 30 10 IKEE COc1cc(/C=N/Nc2ccc(C)c(C)c2)cc([N+](=O)[O-])c1OCc1cc(C)ccc1C 169876719 ZNZUBWPZTBGRLI-VULFUBBASA-N 433.508 5.862 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2cccc(C)c2C)cc1 169924964 HEWBQEGAYRCZMX-RUZDIDTESA-N 441.527 5.712 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2OC)c1 169940497 JATMQGVJPCTPCS-QHCPKHFHSA-N 447.462 5.016 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@@H]2c2cccc(C)c2)c1 169966322 OCAGEJPEPIBNPI-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2cccs2)c1 169983856 VVEQIHHKDNCWFC-FQEVSTJZSA-N 425.456 5.426 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@@H]2c2ccccn2)cc1 169995871 FJIGSXCAPABQSR-RUZDIDTESA-N 434.495 5.580 30 10 IKEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccc2ccccc12)c1cccc(Cl)c1 170044682 CTRBGZGZNWCXRV-CVDCTZTESA-N 447.918 5.251 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccc1 170048388 WLRUTBHSVRTMDV-SANMLTNESA-N 449.506 5.627 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@@H]1c1ccccc1F 170070251 MWSBSYOURZAVDX-HSZRJFAPSA-N 449.453 5.373 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@H]2c2sccc2C)cc1 170105893 QMYNBCRHKCOPTQ-NRFANRHFSA-N 449.528 5.165 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(OC)cc1 170116618 SXDHGEZMYZPVJL-XMMPIXPASA-N 433.548 5.343 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(O)cc2)cc1 170133126 AXBRZGBBDOVIGM-XMMPIXPASA-N 443.499 5.272 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(O)cc1)c1ccc2c(c1)CCCC2 170135574 KZULSPMMOUVMJE-DEOSSOPVSA-N 431.532 5.182 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccc(C)c2)cc1 170139155 VXEXZQIXKYKEKP-QHCPKHFHSA-N 447.556 5.624 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccs2)cc1C(C)C 170166565 JEVPGJSQUIQHNL-OAQYLSRUSA-N 425.550 5.401 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2cccnc2)c1 170182800 PMIZMSFAXXMPEE-DEOSSOPVSA-N 436.467 5.026 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@H]1c1c[nH]c2ccccc12 170256108 SLZIKCUYWWPVAV-XMMPIXPASA-N 446.547 5.725 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1c1ccc(F)cc1 170271168 KDGFFEJWDGZTHL-VWLOTQADSA-N 437.470 6.070 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OCC)c3)[C@@H]2c2ccco2)c1 170278968 FYHPMCVABZGOCC-HSZRJFAPSA-N 447.487 5.250 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccco1 170283980 ZXCXFNNLWZMBEF-QHCPKHFHSA-N 443.886 6.178 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2ccco2)cc1Cl 170290438 PWUBWJPCLGZCGB-IBGZPJMESA-N 445.805 5.003 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccc(C)o2)cc1C 170300537 XQRJPNCILJDHEA-HSZRJFAPSA-N 431.488 5.305 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(C)o2)c(OCC)c1 170302751 YQYUISHICHYGDG-HSZRJFAPSA-N 447.487 5.168 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(F)cc2)cc1Cl 170376363 OCHPTMGSUBENGU-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE CCCCCCCCSc1nc2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2s1 196079359 RBYDFXAPMDTYEB-LRGYGIHKSA-N 440.634 6.060 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccc2ccccc2c1 253571058 OLRDYKPPPRGCCZ-UHFFFAOYSA-N 434.952 5.669 30 10 IKEE Cc1ccc(C)c(NC(=O)c2c(N)n(N=Cc3ccccc3C)c3nc4ccccc4nc23)c1 254824295 RSZGNIQCBYVQFY-UHFFFAOYSA-N 448.530 5.226 30 10 IKEE CC(=O)N(C(=Nc1ccc(Cl)cc1)c1cccc2ccccc12)c1ccc(Cl)cc1 254865635 IHQXJCBDJKFPTJ-UHFFFAOYSA-N 433.338 7.278 30 10 IKEE COc1cc(Br)c(OCCCB2OC(C)(C)C(C)(C)O2)cc1Br 393851876 TZFQRILGLPPOSM-UHFFFAOYSA-N 449.976 5.081 30 10 IKEE CCN(CC)c1ccc([C@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526490449 FYCOTEAMPCIOIB-SANMLTNESA-N 437.543 5.770 30 10 IKEE COc1ccc2c(c1)c([C@@H]1C(c3cccs3)=C(O)C(=O)N1c1cccc(C#N)c1)cn2C 526517684 VFUDQZLOQVBHSV-HSZRJFAPSA-N 441.512 5.177 30 10 IKEE COc1cccc(/C=N\n2c(C)nnc2SCc2ccc(Cl)c(Cl)c2)c1OC 526814932 RBUQTEPKNZYPGY-YVNNLAQVSA-N 437.352 5.085 30 10 IKEE CCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1cc(Cl)c(OC)c(OC)c1 526818541 NYTUGONEZPVJRR-MSXFZWOLSA-N 444.988 5.302 30 10 IKEE Cc1cc(C)cc(N(C(=O)c2cccc(C#N)c2)S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 586295905 ZXPRDVCVLQXPRQ-UHFFFAOYSA-N 446.572 5.508 30 10 IKEE CCCCN(CC)C(=O)Nc1ccc(C(=O)Nc2scc(C(C)(C)C)c2C#N)cc1 586682171 KFJUHIYJWMCMDG-UHFFFAOYSA-N 426.586 5.823 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 698484083 MZRFCPUQZGVOLU-BPJRARJCSA-N 441.572 5.274 30 10 IKEE COc1ccc(Br)cc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 710816481 XLKLFHYYIBHPGE-QGZVFWFLSA-N 435.293 5.603 30 10 IKEE CCN1C(=O)C[C@H](C(=O)Nc2ccc(F)cc2)SC1=Nc1cc(Cl)cc(Cl)c1 725447455 XMWUDPHMQWQKLO-MRXNPFEDSA-N 440.327 5.113 30 10 IKEE COc1ccccc1CNN=Cc1c(OCc2cccc3ccccc23)ccc2ccccc12 1083892591 IDUMDPDGUZTSBJ-UHFFFAOYSA-N 446.550 6.704 30 10 IKEE C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5CCCCO5)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@@](C)(O)C=O 1088714298 YSVJDFIWOQKWTF-BUKZHLKISA-N 430.629 5.427 30 10 IKEE Cc1c(N=Nc2ccccc2C(=O)c2ccccc2)c(O)n(C2CCCCC2)c(=O)c1C#N 1772741346 HJFYREVMEBVMLZ-UHFFFAOYSA-N 440.503 5.886 30 10 IKEE O=C1/C(=C/C=C/c2ccccc2)SC(=NN=Cc2ccccc2F)N1Cc1ccco1 1772759183 MURVIJRDRSWUBC-NXRNRWMPSA-N 431.492 5.482 30 10 IKEE COc1ccc(/C=C2\SC(=NN=C/C=C\c3ccccc3)N(Cc3ccco3)C2=O)cc1 1772759679 WIDWOBGEDGILQO-CJBJZUOQSA-N 443.528 5.460 30 10 IKEE CCCCCCCCn1cc(OCCCOc2ccc(CC)cc2)c(=O)cc1C(=O)O 1857890799 DUBADOSPZQEQRQ-UHFFFAOYSA-N 429.557 5.317 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCSC)NC(=O)c1ccc(OCC)cc1 1861370606 AAMZYXFHHLDZSL-QFIPXVFZSA-N 436.662 5.194 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)COc1ccc(Cl)cc1 1861731919 LAINMRHZEJORIP-QHCPKHFHSA-N 425.013 5.261 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc(O)c1 1862430263 GXGAXUYYECORRC-VGSWGCGISA-N 441.955 5.983 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1cccc(Cl)c1)c1ccccc1Cl 1862432390 CWTSOECRBDYHIR-NRFANRHFSA-N 444.358 6.295 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CCCC2)c1 1862436918 FJXILXVXEQWOTD-JOCHJYFZSA-N 439.939 5.650 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(O)cc1 1862443570 QBYOOFSPRKFMQI-MMACOIQUSA-N 425.912 5.203 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCc3ccccc3)[C@H]2c2cccc(F)c2)cc1 1862474407 NAZQFJRJHIOLGI-VWLOTQADSA-N 443.518 5.735 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2c(Cl)cccc2Cl)ccc1F 1862508956 UMDBGZCPOFLQII-FQEVSTJZSA-N 448.321 5.962 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1c(Cl)cccc1Cl 1862553682 NROPWNYGAXXMJY-FQEVSTJZSA-N 430.331 5.470 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(C(C)(C)C)cc2)=C(O)C(=O)N1Cc1ccncc1 1862613188 FISHPMGAYLKJKV-DEOSSOPVSA-N 440.543 5.466 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc(O)c1 1862649524 AJDVYAPBWYZIQR-DWXRJYCRSA-N 449.506 5.885 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C(C)C)cc3)[C@H]2c2cccc(F)c2)cc1 1862661282 CRLSFDCRKYGAMA-RUZDIDTESA-N 443.518 6.036 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2c(Cl)cccc2Cl)cc1 1862668467 ZHPBBIUKHKRAGD-HXUWFJFHSA-N 448.346 5.078 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(F)cc2)c1 1862672944 ICTWASOXOPBMEU-HSZRJFAPSA-N 433.454 5.360 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862702755 LRHGJGHNLGSJAX-VWLOTQADSA-N 441.527 5.345 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccc(O)cc1)c1ccc2ccccc2c1 1862713570 RBACUKPPJJNKHW-RUZDIDTESA-N 441.527 5.847 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1 1862722224 OEMRVDQVDIYOJJ-AREMUKBSSA-N 446.506 5.527 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(OCCCCCC)cc2)=C(c2ccc(OC)cc2)C1=O 1863326349 CXQQWPBDDRWOAZ-UHFFFAOYSA-N 434.536 5.032 30 10 IKEE CCCCCCCCNC1=C(c2cc(Cl)ccc2Cl)C(=O)N(C2CCCC2)C1=O 1863724421 WVWUDKFHOZTNTH-UHFFFAOYSA-N 437.411 5.966 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(F)c(C)c2)C(=O)N(CCCCC)C1=O 1863788696 AKTROQIEEYYANQ-UHFFFAOYSA-N 430.608 6.135 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2cccc(C)c2)=C(c2ccc(F)c(C)c2)C1=O 1863791685 DNOBQPKIHVLAHE-UHFFFAOYSA-N 436.571 5.673 30 10 IKEE CC[C@@H](C(=O)N[C@@H](C(=O)Nc1ccccc1C#N)c1ccccc1)c1ccc(Cl)cc1 1866950499 OUVKHDCPRSCQTO-FYYLOGMGSA-N 431.923 5.201 30 10 IKEE CC(C)c1nc(Nc2ccccc2C#N)cc(N2CCC(=O)c3cc(C(C)(C)C)ccc32)n1 1868238570 SOAHWBHXGDBWMU-UHFFFAOYSA-N 439.563 6.237 30 10 IKEE CCCCCCCCn1cc(OCC(=O)NC(C)C)c(=O)cc1CN(CCC)CCCC 1870512065 PXMDTBPLMMCYJX-UHFFFAOYSA-N 449.680 5.124 30 10 IKEE CCCCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CN1CCC[C@H](C)C1 1870612382 ZNISEMPWUTUWIW-DEOSSOPVSA-N 430.677 6.566 30 10 IKEE CCCCCCCOc1cn(Cc2ccco2)c(CNc2cc(Cl)ccc2C)cc1=O 1870837483 JBKNFYQLAZPCMV-UHFFFAOYSA-N 442.987 6.413 30 10 IKEE C=CCn1cc(OCc2cccc(F)c2)c(=O)cc1CNc1ccc(N(CC)CC)cc1 1871062767 PLPSVILKOZMCPW-UHFFFAOYSA-N 435.543 5.211 30 10 IKEE C=CCn1cc(OCCCCC)c(=O)cc1CNc1ccc(OCCCCCC)cc1 1871128828 QUQPEEVJMRYMSI-UHFFFAOYSA-N 426.601 6.175 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1COc2ccc3c(c2C1)O/C(=C\c1ccc(Cl)cc1Cl)C3=O 1871350477 HVOXMRJCAFSKAJ-YATIBUIHSA-N 444.358 6.340 30 10 IKEE Cc1cc(OC(=O)C(Cl)(Cl)Cl)cc2c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O2 1871365984 MERWGLBTBYZIRZ-MFOYZWKCSA-N 439.722 6.010 30 10 IKEE C=CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2OC)C3=O)c1 1871389132 VHBARMXKABECNK-IWIPYMOSSA-N 442.467 5.404 30 10 IKEE CC1(C)C[C@H]2C[C@@](C)(CN2Cc2c(O)ccc3c2O/C(=C\c2ccc4c(c2)OCO4)C3=O)C1 1871394400 VVRPEXPOKLWLQC-RQOJVKDKSA-N 447.531 5.138 30 10 IKEE Cc1cccc(OCCCOc2ccc3c(c2)O/C(=C\c2c(F)cccc2Cl)C3=O)c1 1871404396 AEKVPHXCRAOXFL-IWIPYMOSSA-N 438.882 6.252 30 10 IKEE COc1ccc(OCCOc2ccc3c(c2C)O/C(=C\c2ccccc2OC)C3=O)cc1 1871414221 CAPQEMVRYOBBAN-JLPGSUDCSA-N 432.472 5.086 30 10 IKEE Cc1ccc(NC(=O)CCOc2ccc3c(c2C)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871432908 RFUYPODNOUSCIW-HAHDFKILSA-N 447.918 5.981 30 10 IKEE CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1)O/C(=C\c1cn(CC)c3ccccc13)C2=O 1871435176 YNFRYOOUHPIHOZ-UTKDAVAPSA-N 433.504 5.388 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O)NC1CCCCC1 1871438003 KDSCCDVEGAWAAS-MTJSOVHGSA-N 446.330 5.437 30 10 IKEE COc1ccc(C)cc1NC(=O)CCOc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O 1871447345 ZRFIPYHTUWKRAQ-IWIPYMOSSA-N 429.472 5.027 30 10 IKEE CCOC(=O)Oc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 1872773411 NFZVTLZFQLYKHS-FQEVSTJZSA-N 448.544 6.133 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(OC(C)C)cc3)n2)c(C)c1C 1872778837 VUHZZMXFALSWCL-NRFANRHFSA-N 434.561 5.642 30 10 IKEE CCCCCCCCNC1=C(c2ccc(Cl)cc2)C(=O)N(CCC2=CCCCC2)C1=O 1873138523 UPZGDUIRQKLSGU-UHFFFAOYSA-N 443.031 6.261 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc([N+](=O)[O-])c2)=C(c2ccccc2F)C1=O 1873189111 NQTNWCQXIFFJPX-UHFFFAOYSA-N 439.487 5.286 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)N(CCCC)CCCCCC)n2CC=C 1873560470 ADWNLHUILQLLGY-UHFFFAOYSA-N 437.632 5.618 30 10 IKEE N#Cc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(c3ccccc3)C23CCCCC3)cc1 1873867788 YCYJNBXYWJSYOQ-RUZDIDTESA-N 435.527 5.644 30 10 IKEE CCCCCCCCNC(=O)c1cc2c3ccccc3n3c(=O)c4ccccc4c(n1)c23 1873885938 ACYSGTADDSTHKN-UHFFFAOYSA-N 425.532 5.682 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(CC)cc1 1874205161 MBOGQSKIGPSNRG-ZMOGYAJESA-N 447.391 5.887 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(Cl)cc3)n2/N=C/c2ccccc2)c1 1874336190 GSKLMUZBRRFCSN-WGOQTCKBSA-N 432.980 6.005 30 10 IKEE COc1ccccc1/C=N/n1c(Cc2ccc(F)cc2)nnc1SCCc1ccccc1 1874380598 ASPDLDKDXMELMQ-OVVQPSECSA-N 446.551 5.234 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2)n1/N=C/c1ccc(N(C)C)cc1 1874395940 YZXAJXPLXTUSGL-FGAYPWGZSA-N 441.604 5.670 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3)n2/N=C/c2ccncc2)c1 1874402495 DDRQOSVZNYNKJB-WPWMEQJKSA-N 427.577 5.250 30 10 IKEE Cc1ccccc1/C=N/n1c(Cc2cccs2)nnc1SCc1ccccc1Cl 1874412583 QLKDYGIRRGRFMC-ZVHZXABRSA-N 439.009 6.067 30 10 IKEE Cc1cccc(/C=N/n2c(Cc3cccs3)nnc2SCc2ccccc2Cl)c1 1874413318 NMZPIPWQHIXIAR-ZVHZXABRSA-N 439.009 6.067 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2F)c1 1874417066 WIBLEIGDNDUMNE-CVKSISIWSA-N 432.524 5.197 30 10 IKEE Fc1ccccc1/C=N/n1c(Cc2ccccc2)nnc1SCc1ccc(Cl)cc1 1874418914 OJIZMWJPXNEBFV-CVKSISIWSA-N 436.943 5.836 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2[C@H]2CCCO2)c(F)c1 1874449568 GIRRWOSCNGXHFC-SFQCIDFKSA-N 434.899 5.236 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2-c2ccco2)c1 1874468489 KGLIRKFPEOFSHZ-WYMPLXKRSA-N 443.359 6.328 30 10 IKEE CCOc1c(/C=N/n2c(SCc3ccccc3C)nnc2C(C)(C)C)cccc1OC 1874483184 IPXQJKBWFNTEBP-MFKUBSTISA-N 438.597 5.466 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1cccs1 1874492682 YYYBEDXTXNHWRQ-UFFVCSGVSA-N 425.410 6.019 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CCC2)c1OC 1874495794 FVZUVGGAAJHAFX-ZMOGYAJESA-N 442.972 5.391 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1c[nH]c2ccccc12 1874509586 KGKQLCXHSKLLHK-BRJLIKDPSA-N 427.936 5.679 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1/N=C/c1ccccc1Cl 1874509867 ZDENODHZFXLXQS-ZMOGYAJESA-N 441.988 5.114 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1cc(Br)ccc1F 1874533015 OCGZFBQIGAWWIJ-ZVBGSRNCSA-N 439.741 5.316 30 10 IKEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc(Cl)cc1Cl 1874535685 RSCITEJFAPHAKJ-GZIVZEMBSA-N 446.190 6.375 30 10 IKEE CCCN(CCC)C(=O)COc1ccccc1/C=C/C(=O)c1ccc(-c2ccccc2)cc1 1874570884 NBOWVXYVMZYXBI-VHEBQXMUSA-N 441.571 6.277 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c1OCC(=O)NC1CCCCC1 1874571983 QMIDUDNMEDMONC-WUKNDPDISA-N 447.575 5.298 30 10 IKEE CCCOC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(OC)c(Cl)c1 1874590526 DUHZQFPYLJVNFV-ZHACJKMWSA-N 438.907 5.730 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)OCC(C)C)cc1Cl 1874591003 OLZNOMXCTJOYQV-QPJJXVBHSA-N 437.319 5.476 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1 1874596156 HSFZFIVHBZRWKM-OQLLNIDSSA-N 429.516 5.616 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)c(Cl)c2)cc1 1874604317 GJAMUXIWSUZLQG-YRNVUSSQSA-N 447.962 6.433 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(Cl)c1OCC(=O)OCC(C)C 1874605113 QNNLXGBRMFMUOX-FMIVXFBMSA-N 444.955 5.775 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2OC)ccc1OCc1ccccc1C 1874632641 NLELBTIOMJQBDG-GXDHUFHOSA-N 432.516 5.886 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc(Br)c1OC 1874639301 STSKVJFFIXYVAN-FNORWQNLSA-N 425.706 5.415 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c([N+](=O)[O-])c2)cc1 1875101551 UUMXHYCOKYMZDM-XYOKQWHBSA-N 446.415 5.181 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1[N+](=O)[O-] 1875115686 PWZNMVCALKPANG-CSKARUKUSA-N 432.270 5.349 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)CCc1ccccc1 1875138077 NULLXMBPVFQFPU-ACCUITESSA-N 448.946 6.400 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1 1875169344 IJDJNMYBZCCEFB-SDNWHVSQSA-N 430.500 5.365 30 10 IKEE CC(C)(C)OC(=O)N(CC1CC1)[C@H](C#N)c1ccc(Cl)cc1I 1903737025 JLZLMAIVMLOPOY-OAHLLOKOSA-N 446.716 5.156 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(C1)CC(C#N)(N(C(=O)OC(C)(C)C)C1CCCCCC1)C2 1917717240 FHVBURGLSFASBH-UHFFFAOYSA-N 447.620 5.630 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCC[C@H]1NC(=O)OC(C)(C)C 1943896946 WICMMQWFNBCEAG-DVECYGJZSA-N 429.561 5.466 30 10 IKEE C#CCCCCC[C@@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 1947474583 JMSKEYWWBMQJDJ-BJKOFHAPSA-N 430.633 5.439 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C1(C)C 2014799784 ASZCQFYUJLCZKQ-DEOSSOPVSA-N 429.561 5.500 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)C2(C#N)[C@H](C)CN(C(=O)OC(C)(C)C)C[C@H]2C)c1 2042145652 XVFJQVSFUKCZDK-RTBURBONSA-N 443.588 5.522 30 10 IKEE O=[N+]([O-])c1ccccc1SN=C1N=C2C=CC(Br)=CN2Cc2ccccc21 2053515068 BERAIAPJFXZBLH-UHFFFAOYSA-N 441.310 5.069 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H]3C[C@@H](OCc4ccccc4)C[C@@H]32)cc1 2070328075 OTWOIRBNFVMCJV-DQHZSEARSA-N 432.564 6.014 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@@]1(C#N)CCN(Cc2ccccc2)CC12CCC2 2098711540 IDQCLSHKHVYRAI-HHHXNRCGSA-N 449.570 5.906 30 10 IKEE C=C(COCCC)[C@H](NCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134727919 MWESVNDFTAMSIU-LJAQVGFWSA-N 445.603 6.478 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CC12CCC(Nc1ccc(Br)cc1C#N)CC2 2158248894 GUFRKYXNNPUCIK-FPPRHVDESA-N 434.378 5.206 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@]2(Nc3cc(Br)c(C#N)cc3F)CCC[C@@H]12 2162333883 HUPRJRGSFINQFG-XLIONFOSSA-N 438.341 5.194 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](Cc2cccc(Br)c2)NCCC)C1 2183012223 YYKPVZIEAKFVKB-LJQANCHMSA-N 437.422 5.221 30 10 IKEE C=CCCCCCCCC[C@H](O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2207395887 IABJYHDAHVRGGT-FQEVSTJZSA-N 440.422 7.136 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@H](N)C#Cc2ccc(Cl)cc2)cc1Br 2231103010 JZMNVTDSNJEQNX-QGZVFWFLSA-N 435.749 5.501 30 10 IKEE CC[C@H]1CC[C@@](NC(=O)OC(C)(C)C)([C@@H](O)C#Cc2ccccc2Br)CC1 2235727616 GKZFDGRRXUSXAW-BPXKWBHBSA-N 436.390 5.025 30 10 IKEE CC[C@H]1CC=C(C(=O)[C@@H](Cc2cccc(Br)c2)NC(=O)OC(C)(C)C)CC1 2237408650 IXYLOVVHIJAXBG-HNAYVOBHSA-N 436.390 5.591 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1C[C@H]2CCC[C@H]1N2C(=O)OC(C)(C)C 2252696376 IHDTVIGEXCQNBK-MOUTVQLLSA-N 428.617 5.306 30 10 IKEE O=C(C#Cc1cccc(Br)c1)c1cc(Br)c(Br)s1 2264190014 VLFUJDMPDXFXRU-UHFFFAOYSA-N 448.961 5.270 30 10 IKEE CCN[C@H](C#CC1CCCC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2273901485 WTZJGWZOEFWYLR-MUUNZHRXSA-N 439.599 6.689 30 10 IKEE CCOC(=O)C1=C(Nc2ccc(Cl)cc2Cl)SC(=Cc2cccc(O)c2)C1=O 2293568238 KDKZPOZVPZDJMA-UHFFFAOYSA-N 436.316 5.243 30 10 IKEE Cc1cc(C)cc(N=C2NC(=O)C(=Cc3ccc(-c4ccc(Cl)c(Cl)c4)o3)S2)c1 2294025412 UXLQBWYTNXBIJY-UHFFFAOYSA-N 443.355 6.762 30 10 IKEE CC[C@H]1CC[C@@](NC(=O)OC(C)(C)C)([C@@H](O)C#Cc2ccc(Br)cc2)CC1 2296271238 DSZPHWWXPQPYGR-BPXKWBHBSA-N 436.390 5.025 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)C[C@H](CC)CNC(=O)OC(C)(C)C 2296298680 MQSGTWPYONQHFA-PXNSSMCTSA-N 437.422 5.110 30 10 IKEE CC(=O)c1cc(C)c(C)cc1NC(=O)C(=Nc1ccc(C)c(C)c1)C(=O)c1cccs1 2297727439 PSWXQESTVXIHFM-UHFFFAOYSA-N 432.545 5.778 30 10 IKEE COc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(-c4ccccc4)cc3)c2)cc1 2314429811 PJCFGXGFHQBMAP-UHFFFAOYSA-N 434.491 6.478 30 10 IKEE Cc1cccc(N=C2SC(=Cc3ccc(Br)o3)C(=O)N2C2CCCCC2)n1 2314540626 UWJBQAYNGSGJHB-UHFFFAOYSA-N 446.370 5.682 30 10 IKEE CCn1cc(C=C2Oc3c(ccc4c3CN(Cc3cccs3)CO4)C2=O)c2ccccc21 2321968108 AZHIGLRBYIMCRC-UHFFFAOYSA-N 442.540 5.691 30 10 IKEE Cc1ccc(Cc2nnc(S)n2N=Cc2ccc(OCc3ccccc3F)cc2)cc1C 2321998524 PDPAVQLKCXBNSD-UHFFFAOYSA-N 446.551 5.375 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(-c4ccccc4)cc1)O3)CN(CC(C)C)CO2 2322071807 QIXNWGZTECQETC-UHFFFAOYSA-N 425.528 6.086 30 10 IKEE O=C1C(=Cc2ccc([N+](=O)[O-])cc2)Oc2c1ccc1c2CN(Cc2cccc(Cl)c2)CO1 2322211769 ZJITWITWWOOQFP-UHFFFAOYSA-N 448.862 5.217 30 10 IKEE CCc1ccc([C@H](C)N2COc3ccc4c(c3C2)OC(=Cc2ccc(OC)cc2)C4=O)cc1 2322259904 CUPRBEXYJJIDHM-SFHVURJKSA-N 441.527 5.787 30 10 IKEE COc1ccc(C=C2Oc3c(cc4c(c3C)OCN(C3CCCCC3)C4)C2=O)cc1OC 2322328578 YQHQWYPKEBOFTN-UHFFFAOYSA-N 435.520 5.113 30 10 IKEE CCCOC(=O)COc1ccc(Br)cc1C=CC(=O)c1ccc(CC)cc1 2322353449 UNTIBOCDYZKQJJ-UHFFFAOYSA-N 431.326 5.240 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Br)ccc2OCc2ccc(C)cc2)cc1 2322353557 DRJQFBZJEZPHSU-UHFFFAOYSA-N 435.361 6.795 30 10 IKEE CCc1ccccc1NC(=O)COc1ccccc1C=CC(=O)c1ccc([N+](=O)[O-])cc1 2322467055 SLGUIKRMUCKVBW-UHFFFAOYSA-N 430.460 5.071 30 10 IKEE CCOC(=O)c1ccc(COc2ccc3ccccc3c2C=CC(=O)c2ccc(C)cc2)o1 2322591518 JMTHEISLHLWABY-UHFFFAOYSA-N 440.495 6.393 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(F)cc2)c1OCc1ccc(Cl)cc1 2322748254 GUASIBURNHASOK-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2OC)cc1OCC(=O)Nc1cccc(C)c1C 2323101667 HRORCLHZYFDVRW-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE Cc1c(OC(=O)c2ccc([N+](=O)[O-])cc2)ccc2c1OC(=Cc1ccc(Cl)cc1)C2=O 2323149276 DIBPXQSLQSGLSC-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1cccc(OCc2ccc(Cl)cc2)c1 2323258877 ZEANWHMJDFRIQC-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE CCc1ccc(NC(=O)COc2cccc(C=CC(=O)c3cc(Cl)ccc3OC)c2)cc1 2323332273 PODKWUROQAONLJ-UHFFFAOYSA-N 449.934 5.825 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OCc1ccc(F)cc1 2323434646 VTDZOKXCTNJTPE-UHFFFAOYSA-N 430.519 6.578 30 10 IKEE O=C1C(=Cc2ccc3c(c2)OCO3)Oc2cc(OC(=O)c3cccc4ccccc34)ccc21 2323476337 IDBSAOZFZDBVIM-UHFFFAOYSA-N 436.419 5.404 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Cl)c(OCc3cc(C)ccc3C)c(OC)c2)c1 2323485482 OHFWCKWWGREMRQ-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE CCn1cc(C=C2Oc3cc(OC(=O)CC4CCCCC4)cc(C)c3C2=O)c2ccccc21 2323485569 YWMJTIXKKBKGQP-UHFFFAOYSA-N 443.543 6.462 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(OC(=O)c3ccc(-n4cccc4)cc3)c2C)C1=O 2323676535 HOVGJIWHIJBCGE-UHFFFAOYSA-N 441.508 5.991 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c([N+](=O)[O-])c2)cc1 2323831833 JFSQEYILJZKCNX-UHFFFAOYSA-N 448.431 5.377 30 10 IKEE CCCCCCCCCOc1ccc(C=NNC(=S)NCc2ccccc2)cc1OC 2323850784 KSBABTCQQJJMLY-UHFFFAOYSA-N 441.641 5.823 30 10 IKEE COc1ccc(C=NNc2nc(-c3ccc(C)cc3)cs2)c(Br)c1OC 2323865230 XBLGQLZFIQDNOD-UHFFFAOYSA-N 432.343 5.344 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 2323914960 CYFKHIAGHIMLCG-UHFFFAOYSA-N 443.543 5.924 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(O[C@H](C)C(=O)Nc4ccc(C)cc4)c3C)C2=O)cc1 2324378388 AUVNNUYKTAMFTP-LJQANCHMSA-N 427.500 5.634 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)ccc1OCc1ccccc1 2324521580 UHFSLABGALDKBS-UHFFFAOYSA-N 436.935 6.531 30 10 IKEE Cc1ccc(OCCCCOc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1 2324585204 WTGKJMGRNNSASS-UHFFFAOYSA-N 426.512 6.405 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1)Nc1ccccc1 2324651667 WFLUQNDKZPKKEF-UHFFFAOYSA-N 426.299 5.907 30 10 IKEE CCOc1cccc(C=Nn2c(CC)nnc2SCc2c(Cl)cccc2Cl)c1 2325593045 WCVAUYWUKMCUHZ-UHFFFAOYSA-N 435.380 5.721 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)COc3cccc(C)c3C)c2)cc1 2325704328 QRYLHEDNQIFVQZ-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(N(C)C)cc3)c2)cc1 2325712426 MNWWBPBUZKFJNS-UHFFFAOYSA-N 427.544 6.211 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c(C)c3)c2)c1 2325714401 SLRGSGJJBCRVHO-UHFFFAOYSA-N 446.499 5.065 30 10 IKEE CCCCC1CCC(C(=O)Oc2cccc(C=CC(=O)c3cc(C)c(OC)cc3C)c2)CC1 2325771147 MIWPJWXNSVZQFL-UHFFFAOYSA-N 448.603 7.110 30 10 IKEE CCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccccc1COc1ccccc1 2326379929 PCPHPBNAKUEJPJ-UHFFFAOYSA-N 442.588 5.902 30 10 IKEE Cc1ccc(CSc2nnc(C)n2N=Cc2c(Cl)ccc(Cl)c2Cl)c(C)c1 2326442081 REQQTQUEDKYLPL-UHFFFAOYSA-N 439.799 6.338 30 10 IKEE Cc1ccc(OCCCc2nnc(SCc3ccccc3)n2N=Cc2cccnc2)cc1 2327186935 CEJVMBOQNXJFBC-UHFFFAOYSA-N 443.576 5.168 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2sccc2C)cc1C 2329430474 ZDGAZABOUUGJRG-UHFFFAOYSA-N 446.645 6.073 30 10 IKEE C=CCSc1nnc(-c2ccccc2Cl)n1N=Cc1cccc(OC)c1OCC 2329588228 AHVWWDSBLZVSRW-UHFFFAOYSA-N 428.945 5.166 30 10 IKEE Cc1ccc(C=Nn2c(SCC(=O)OCC(C)C)nnc2-c2ccccc2Cl)cc1 2329609143 FOMPGSDWPKLVJB-UHFFFAOYSA-N 442.972 5.080 30 10 IKEE Fc1ccc(Cc2nnc(SCc3ccccc3Cl)n2N=Cc2ccccc2)cc1 2329846224 BPYUQMDRLZEEFH-UHFFFAOYSA-N 436.943 5.836 30 10 IKEE CSc1nnc(Cc2ccc(C)cc2)n1N=Cc1ccc(OCc2ccc(C)cc2)cc1 2329930092 SXVZCNZORAXYDM-UHFFFAOYSA-N 442.588 5.669 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)cc2)n1N=Cc1cc(Cl)c(O)c(OC)c1 2329984776 OIAGDZMONVJQER-UHFFFAOYSA-N 442.972 5.095 30 10 IKEE Cc1ccccc1CSc1nnc(CC2CCCCC2)n1N=Cc1cccc([N+](=O)[O-])c1 2330236250 CQTFUFZTOIXOPP-UHFFFAOYSA-N 449.580 5.792 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3cccs3)n2N=Cc2ccc(C(=O)O)cc2)c1 2330583953 JRQCBCPRKNUOMK-UHFFFAOYSA-N 448.573 5.496 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCCC)nnc2-c2cccs2)cc1OCC 2330593005 YBEQOPHORCUINI-UHFFFAOYSA-N 444.626 5.969 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1ccc(F)c(F)c1 2330705244 KFCKSXJRNDCPKZ-UHFFFAOYSA-N 448.465 5.968 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(Cl)c3)c(Cl)c2)cc1 2330747567 GYTUUIDBTPOBJQ-UHFFFAOYSA-N 425.311 6.671 30 10 IKEE Cc1ccc(CSc2nnc(CC(C)(C)C)n2N=Cc2c(Cl)cccc2Cl)cc1 2330801314 FQNREMZUKUOAIR-UHFFFAOYSA-N 447.435 6.656 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2[C@@H]2CCCO2)cc1 2330887388 YCACHHSHTCVKTK-QHCPKHFHSA-N 449.624 5.459 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)Cc2ccccc2Cl)c(Cl)c1 2331059389 SMICNAGNFMXTKV-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)cc3)c(OC)c2)cc1 2331211368 RPGPDABZSALYLZ-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)c1cc(C)cc(C)c1 2331256661 MIHWYJGFEUFKIB-UHFFFAOYSA-N 434.919 6.389 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(F)c3)c(Cl)c2)cc1 2331304189 PINHQMDDWJNCPH-UHFFFAOYSA-N 438.882 6.383 30 10 IKEE COCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(F)cc1 2331311467 KJKASZCLMXJCFN-UHFFFAOYSA-N 439.343 5.087 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1N=Cc1sccc1C 2331352328 IQCIBYMNPAFINI-UHFFFAOYSA-N 441.626 5.220 30 10 IKEE Cc1ccc(CSc2nnc(C(C)(C)C)n2N=Cc2cccc(Br)c2)cc1 2331361466 WEKNHJYMCHHYPB-UHFFFAOYSA-N 443.414 5.821 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)CC(C)(C)C)c(OC)c2)cc1F 2331453534 DANWVUPWGJXPSD-UHFFFAOYSA-N 430.472 5.089 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)CC(C)C)c(OC)c2)c(C)c1C 2331612576 RZJUACSNWNVELM-UHFFFAOYSA-N 426.509 5.177 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)C2CC2)c([N+](=O)[O-])c1 2331636866 QZRBMPAVQQXDFA-UHFFFAOYSA-N 436.247 5.122 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)C(F)(F)F)c(Cl)c2)c1 2331675244 DWFBDSAHTNDVIK-UHFFFAOYSA-N 442.817 5.501 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc(OC)c1OC(=O)CC 2331752137 CMZTWQPYGGIOMD-UHFFFAOYSA-N 428.912 5.606 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)c(OC)cc2C)ccc1OC(=O)c1ccncc1 2331852552 FBFUGKLMPZIRIO-UHFFFAOYSA-N 431.488 5.221 30 10 IKEE CC[C@@H](N[C@@H](C)c1cnn(Cc2ccccc2)c1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363830777 PYNUKOKWCHCKAA-NBGIEHNGSA-N 445.416 5.033 30 10 IKEE CN(Cc1ccccc1)[C@H]1CCCCN(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2365059729 VOJBUCJPTCXYFM-DEOSSOPVSA-N 447.432 5.217 30 10 IKEE Cc1cc(CNc2cccc(Br)c2Cl)cc(B2OC(C)(C)C(C)(C)O2)c1 2369685311 DGEGXKSGINMWKS-UHFFFAOYSA-N 436.586 5.322 30 10 IKEE COc1ccccc1/N=C/c1ccc(OC(=O)/C=C/c2ccc(Br)cc2)cc1 3081530 KNARUIQLXBEJGB-FCMREFMGSA-N 436.305 5.827 30 10 IKEE O=C(/C=C\Nc1ccc(OC(F)(F)F)cc1)c1ccccc1OCc1ccc(Cl)cc1 8857358 QBPTZZLYUQPGPC-YPKPFQOOSA-N 447.840 6.626 30 10 IKEE Cc1ccc(-n2nc(C)c3c2NC2=C(C(=O)CC(C)(C)C2)[C@H]3c2cccc(Cl)c2)cc1 18196672 LCNYUJAGWVECER-QHCPKHFHSA-N 431.967 6.343 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(F)ccc2F)cc1 21239727 QQMCVWVSURYBHU-SOKVYYICSA-N 446.497 6.343 30 10 IKEE O=C(Nc1ccccc1)[C@@H]1CC(=O)N(CCc2ccccc2)/C(=N/c2ccc(F)cc2)S1 27522620 XPTLCDXCXHBXQP-XOFWUJAUSA-N 447.535 5.029 30 10 IKEE O=C(/C=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccc(-c2ccc(F)cc2)o1 33567999 OFYDXLOUQCPNEP-NTMALXAHSA-N 426.365 7.261 30 10 IKEE COc1ccc(-c2nnc(SCc3cccc(C#N)c3)n2-c2ccccc2C)cc1OC 35847500 UTBGUSKEZDZPDM-UHFFFAOYSA-N 442.544 5.424 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O)c1ccc(Cl)cc1 39754325 VVSAIQJMZSHTQJ-JJFYIABZSA-N 425.267 5.871 30 10 IKEE C=CCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cc(C)ccn2)c1 39838174 GVLVCSSVGWSADN-DEOSSOPVSA-N 438.483 5.119 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1cccc(OCCC)c1 40080262 MKEHXAYGEVABQS-QHCPKHFHSA-N 437.536 5.171 30 10 IKEE C=CCc1ccccc1OCCCCn1c(CCCCCNC(=O)C=C)nc2ccccc21 40219670 WUOKKPDODHJAEO-UHFFFAOYSA-N 445.607 5.639 30 10 IKEE C=CCc1ccccc1OCCCn1c([C@H](O)c2ccccc2)nc2cc(C)c(C)cc21 40310525 VNTCZYIILOMHRC-HHHXNRCGSA-N 426.560 5.932 30 10 IKEE O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1cccc(N2CCOC2=O)c1 60203641 IOUCYBBTBKYWIF-VQHVLOKHSA-N 428.271 6.106 30 10 IKEE C=C(C)COc1ccc2ccccc2c1[C@H]1Nc2ccccc2C(=O)N1Cc1ccccc1 66133062 PQHNIHNSUBVJRH-NDEPHWFRSA-N 434.539 6.561 30 10 IKEE O=C(/C=C/C(=O)N(Cc1ccccc1)Cc1ccccc1)c1ccc(Br)cc1 96572511 JBOTZYVPJRGFCL-FOCLMDBBSA-N 434.333 5.417 30 10 IKEE CCCCCCCNC(=S)NC(=O)c1ccc(OCCC(C)C)c(Br)c1 100181340 RDWQEALUTMGVHT-UHFFFAOYSA-N 443.451 5.449 30 10 IKEE O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 101037096 SDRUZCMGTUVUDP-SNAWJCMRSA-N 427.266 6.395 30 10 IKEE CCCCCCCCOc1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc1 102451572 KOMWUKLLSHXKFC-CJLVFECKSA-N 443.609 6.971 30 10 IKEE CCc1nnc(SC)n1/N=C\c1ccc(OCc2ccc(C(C)(C)C)cc2)c(OC)c1 169915241 PMEUEMDNRSRJHP-MYYYXRDXSA-N 438.597 5.330 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(C)cc2)=C(O)C(=O)N1c1cc(C)ccc1C 169943712 OKYDXVIWWZJYNL-XMMPIXPASA-N 427.500 5.403 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2cc(C)ccc2O)c1 169970910 OLZTYBGVKDWEGV-SANMLTNESA-N 449.506 5.945 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1cccs1)c1cccc2ccccc12 169985800 WJCFEIIUYNLRLY-JOCHJYFZSA-N 445.927 6.338 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@H]2c2cccnc2)c1 170008134 QUTBACXYPBUYFL-VWLOTQADSA-N 434.495 5.635 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2C)[C@H]1c1cccnc1 170009519 MSGMNNNEEWHDSE-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(OCC)cc2)cc1 170031789 VRJPTLADKPIMMV-XMMPIXPASA-N 449.547 5.395 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(C)c(C)c2)[C@H]1c1ccccc1 170048310 ZMNDOSPNFCUSHJ-XMMPIXPASA-N 427.500 5.091 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 170052306 AWCDOCQPAPTAJU-OAQYLSRUSA-N 448.862 5.340 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccccc2)cc1 170052697 JDLPYAFXASPTAX-QHCPKHFHSA-N 431.463 5.316 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)C)cc2)cc1C 170067767 NMMAFLUHPBUQDZ-VWLOTQADSA-N 440.543 5.600 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccccc2F)cc1 170069598 BXHVPBDNUMOTGY-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccc1F 170072051 ZNQSWOZDYHAXTK-DEOSSOPVSA-N 447.506 5.372 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1cccc(O)c1)c1cc2ccccc2o1 170082216 JLZTVRXCHDCYHR-JOCHJYFZSA-N 447.393 5.200 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2C)c1 170086761 XROCGDFITAWKHO-QHCPKHFHSA-N 447.918 5.830 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1ccc(N(C)C)cc1 170129369 UQXJXZPAXFUTNZ-OAQYLSRUSA-N 438.911 5.141 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2C2CCCC2)c1 170148544 ZPUGUOGOLWRPOV-HXUWFJFHSA-N 440.337 5.278 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2cccs2)c1 170157213 VQPXUKYXFDBKSH-OAQYLSRUSA-N 435.501 5.024 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccs1)c1ccc(Cl)c(Cl)c1 170163215 RXAUYGTVTSNYMG-SFHVURJKSA-N 445.327 5.228 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cccs1 170166211 UAZHXLOSZFFCRJ-JOCHJYFZSA-N 439.577 5.020 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2cccnc2)c1C 170187879 ZCOQLBLXUWVLJK-RUZDIDTESA-N 434.495 5.635 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2ccccc2)c1 170221319 VPVSWOIGFNKSLP-DEOSSOPVSA-N 443.499 5.267 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@@H]1c1ccccc1C 170276937 TXXHJNJDOSXQFE-IBGZPJMESA-N 428.326 5.054 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2ccco2)c1 170296984 PZWKFEBAIMHBMA-QHCPKHFHSA-N 431.488 5.074 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1ccc(C)o1 170310084 UBMDBEBDIUNCSY-HXUWFJFHSA-N 427.884 5.756 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2sccc2C)cc1Cl 170316293 WKQKGUZBOUSEBZ-SFHVURJKSA-N 443.908 5.090 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(N3CCCC3)cc2)c1 170342464 UDLLVPJLBNFNTA-HSZRJFAPSA-N 444.556 5.440 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(F)c(F)c2)cc1 170360828 DIUVQMWCYLSLOX-HXUWFJFHSA-N 441.455 5.208 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Br)c3)[C@H]2c2ccccc2)cc1 170373400 QNVRJBLUXOHXGC-NRFANRHFSA-N 448.316 5.540 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(C(C)C)cc1 170422131 KURPILJDMZOPIO-RUZDIDTESA-N 441.527 5.597 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]2c2cccc(Oc3ccccc3)c2)c1 170456160 AEXDNWSZJIAIAG-SANMLTNESA-N 441.527 6.303 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(C(C)(C)C)cc2)c1 170471063 CABGEWZUZBIKOW-HSZRJFAPSA-N 445.515 5.364 30 10 IKEE CC(C)C(=O)C1=C(O)C(=O)N(c2nc3cc(F)ccc3[nH]2)[C@@H]1c1ccc(C(C)(C)C)cc1 170472456 DWQDTZVCGDZGDY-HXUWFJFHSA-N 435.499 5.125 30 10 IKEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1Cl)N2 226832705 TVVZGBKXERMXOP-WIEQDCTASA-N 435.376 5.284 30 10 IKEE CN1/C(=C/C=Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)C(C)(C)c2ccccc21 252510798 BQHRFMDHWZGRAH-ZZUFYODUSA-N 442.403 6.013 30 10 IKEE C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)C)cc2)SC1=Nc1ccc(C(C)C)cc1 252621864 NIHKSWNBESYGTQ-QHCPKHFHSA-N 449.620 6.080 30 10 IKEE COc1ccc(N=C2SC(=NNc3ccccc3)SC2=Nc2ccc(OC)cc2)cc1 252628843 SZIBCHBDYJGDJV-UHFFFAOYSA-N 448.573 6.327 30 10 IKEE N#CC[C@@H](Nc1ccc(I)c(Br)c1)c1ccccc1 388364304 JAFGBPHWQONJCN-OAHLLOKOSA-N 427.083 5.121 30 10 IKEE CCOc1cccc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)c1 526515538 JDNILPWRCGBDMT-HSZRJFAPSA-N 430.891 5.668 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(OC)c(Cl)c2)cc1 526605617 YESNMNNTGAMAFK-QHCPKHFHSA-N 446.890 5.286 30 10 IKEE CC(C)(C)c1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)Cc2ccccc2F)cc1 586145106 SOZUDLGVJXDUDO-UHFFFAOYSA-N 436.552 5.386 30 10 IKEE C=CCN(c1cc(OC)c(OC)c(OC)c1)S(=O)(=O)c1ccc(CCCCCC)cc1 586237208 VAOSWFRCHBVBTH-UHFFFAOYSA-N 447.597 5.217 30 10 IKEE C[C@@H](C[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1)c1ccccc1 698455635 FOXDYFHAUHCHGA-JXFKEZNVSA-N 429.358 6.277 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@H](C#N)c1cc(Br)c(Cl)s1 698831254 WMZRVTSSGHDSAI-GFCCVEGCSA-N 447.807 6.227 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@@H](C#N)c1sncc1Br 711917383 IJKGMTFUEGLDTH-ZDUSSCGKSA-N 428.739 5.565 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCO[C@@H](C(C)(C)C)C1 721574532 HDIIMOBNXOYQGA-DYESRHJHSA-N 437.378 5.678 30 10 IKEE C=C1CC[C@@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]1CC[C@H]2[C@@H](C)C[C@@H]1C[C@](C)(O)C(=O)O1 1084294691 IJNDMZIDDKVXHR-WQWICYAVSA-N 428.613 5.249 30 10 IKEE CCCCCCCCCCCCCCCCCOC(=S)Oc1ccc(Cl)cc1 1616046354 PEFXSQPVBOWQON-UHFFFAOYSA-N 427.094 8.892 30 10 IKEE CCCCCCn1c(O)c(N=Nc2ccc(N=Nc3ccccc3)cc2)c(C)c(C#N)c1=O 1772740761 GPJSIICVCCJRHV-UHFFFAOYSA-N 442.523 7.145 30 10 IKEE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)C(=NNc3ccc(F)cc3)CCC4)c2n1 1772750603 DTLBJINUFJTOFX-UHFFFAOYSA-N 443.478 5.955 30 10 IKEE CCCCCCn1c2ccccc2c2nnc(NN=Cc3c(Cl)cccc3Cl)nc21 1772765212 YKZLCUKDTUKAOE-UHFFFAOYSA-N 441.366 6.313 30 10 IKEE COc1ccc(NC(=S)N/N=C\c2cn(-c3ccc(C)cc3)nc2-c2ccccc2)cc1 1857812151 WLRWTSDVFOUTPL-QQXSKIMKSA-N 441.560 5.177 30 10 IKEE N#Cc1cccc(C(=O)Oc2ccc(CNC(=O)C(c3ccccc3)c3ccccc3)cc2)c1 1859018354 ZBCIOVMSCVQXHM-UHFFFAOYSA-N 446.506 5.226 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(Cl)cc2)cc1 1862392527 ZUXACGJPWOQRRA-QHCPKHFHSA-N 437.967 6.204 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2cccc(OCCC)c2)cc1 1862396463 DTOMSCDFVKIHNK-DFBJGRDBSA-N 449.591 6.195 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2ccc(C)cc2)cc1C 1862400964 QMVQRZJJUOJVLP-HSZRJFAPSA-N 447.556 5.195 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@@H]2c2ccc(F)cc2)cc1 1862411737 NWZUNHRWIGVWIP-QFIPXVFZSA-N 437.417 5.191 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(O)c1 1862444189 XMVQNMXGJYYDSL-QRQCRPRQSA-N 433.891 5.385 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2ccc(Cl)cc2)cc1 1862476570 LYVLZEVPEVPFHX-OAQYLSRUSA-N 437.948 5.531 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc3ccccc23)cc1 1862480453 HKCVJZWKHPCFOF-VWLOTQADSA-N 425.528 6.059 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCCc2ccccc2)cc1 1862507467 LWVMVTCEJIHUGQ-VWLOTQADSA-N 443.518 5.654 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccccc2C)cc1 1862532250 GRQORQZADHLBCB-KBMIEXCESA-N 425.528 5.897 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)cc1 1862532763 GEMCEQDBAYRMND-DVKBMCPXSA-N 447.575 5.805 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccccc2C)cc1 1862534710 WWVQSIGJIYLNAV-RUZDIDTESA-N 425.528 5.378 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862550089 CRRSPQNKMOVWIZ-AVRWGWEMSA-N 447.575 5.731 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C2CC2)cc1 1862552827 CVXPLHIXQNMAEN-VWLOTQADSA-N 445.559 5.485 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862560463 IAXRVCGCVAKQDF-IQGLISFBSA-N 440.543 5.732 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(C(C)C)cc2)=C(O)C(=O)N1Cc1ccccn1 1862660521 NJCDDQSLOVSWAC-XMMPIXPASA-N 426.516 5.292 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1c(F)cccc1Cl 1862666868 NTKXQCDFKSTTCQ-LHSJRXKWSA-N 429.919 5.979 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862678149 JRTFRPGGJDKKGO-XMMPIXPASA-N 440.474 5.394 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862686833 CKJCWORIWZUXJN-RUZDIDTESA-N 447.575 5.949 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2C2CC2)c1 1862727262 ZRRINPBLRPJAHM-RUZDIDTESA-N 439.511 5.493 30 10 IKEE Cc1cc(C)cc(NC2=C(c3c[nH]c4ccccc34)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1863132220 XHMNDLQLEJXBHO-UHFFFAOYSA-N 432.483 5.053 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc3c(c2)OCO3)=C(c2ccccc2F)C1=O 1863289450 KHDFTNOOIHQPHC-UHFFFAOYSA-N 438.499 5.107 30 10 IKEE N#Cc1cccc(NC2=C(c3ccccc3Cl)C(=O)N(C3CCCCCCC3)C2=O)c1 1863446826 IUUDDRGKVHAKDI-UHFFFAOYSA-N 433.939 5.517 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(OC)c(OC)c2)C(=O)N([C@@H](C)CC)C1=O 1863523127 WSBFZACXNPYTEW-IBGZPJMESA-N 444.616 5.313 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H](C)c2ccccc2)=C(c2c[nH]c3ccccc23)C1=O 1863817588 JYNPBRFRXNEGRP-HXUWFJFHSA-N 443.591 5.959 30 10 IKEE C/C(=C\c1cccc(Cl)c1)C(=O)N[C@@H](C(=O)Nc1cccc(C#N)c1)c1ccccc1 1866820818 UYTKCZDOMODJBX-GNBRFLJNSA-N 429.907 5.111 30 10 IKEE N#Cc1cccc(NC(=O)[C@@H](NC(=O)[C@@H](c2ccc(Cl)cc2)C2CC2)c2ccccc2)c1 1867003055 ZXOWIOVRFYNUOQ-RPWUZVMVSA-N 443.934 5.201 30 10 IKEE CC(C)c1nc(Nc2ccccc2C#N)cc(N2[C@@H](Cc3ccccc3)COCC2(C)C)n1 1868238568 SICJZISGSXTLCS-QFIPXVFZSA-N 441.579 5.442 30 10 IKEE CCCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSc1ccccc1 1870232731 HKRPVZPKDAEQLN-UHFFFAOYSA-N 432.589 6.172 30 10 IKEE CCCCCCCOc1cn(CCCCCC)c(CSCc2ccccc2)cc1=O 1870259881 NIZAMDUOEUQYQB-UHFFFAOYSA-N 429.670 7.211 30 10 IKEE CCCCCCCOc1cn(CCc2ccccc2)c(CN2C[C@@H](C)C[C@@H](C)C2)cc1=O 1870409350 PCIVXAFWAMBHLQ-PSWAGMNNSA-N 438.656 5.918 30 10 IKEE C=CCOc1cn(CCCCCCCCCC)c(CNc2ccc(C)c(F)c2)cc1=O 1870812848 LSOZTVBKCXFVTD-UHFFFAOYSA-N 428.592 6.613 30 10 IKEE CCCCCCCOc1cn(CCCCCO)c(CNc2ccc(F)c(F)c2)cc1=O 1870837881 COKIPQNBGUDTKT-UHFFFAOYSA-N 436.543 5.250 30 10 IKEE CCCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1cccc(F)c1 1871252833 QPTMYSHMHUBPQM-UHFFFAOYSA-N 433.527 5.630 30 10 IKEE COc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(C2CCCCCCC2)C4)cc1 1871348407 DJNFVBRFNNDDJB-IWIPYMOSSA-N 433.548 5.885 30 10 IKEE CCN(CC)CCCCN1COc2ccc3c(c2C1)O/C(=C\C=C\c1ccccc1)C3=O 1871349577 XPANTUWYTRDRJW-QDJFMZAOSA-N 432.564 5.133 30 10 IKEE COc1ccc([C@@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2cccc(Cl)c2)C4=O)cc1 1871354575 UOKVMDDVCUJNFF-ACMDDDSKSA-N 447.918 5.878 30 10 IKEE C=CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871389688 KGRRUCWIEAICSW-UCQKPKSFSA-N 446.886 6.049 30 10 IKEE Cc1cc(O)c(CN2CCC[C@@H](C)C2)c2c1C(=O)/C(=C/c1ccc(-c3ccccc3)cc1)O2 1871396596 OFUGIYINUPMJQB-NLULDLIBSA-N 439.555 6.216 30 10 IKEE CCOc1ccccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccccc1F)C2=O 1871418452 UTAFXWUFARXHMU-UCQKPKSFSA-N 447.462 5.167 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4c(C)cccc4C)ccc3C2=O)cc1 1871440602 XRQHXGGMXOXVFO-OYKKKHCWSA-N 443.499 5.336 30 10 IKEE CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1 1871449662 ZZUAGASUHDAGTN-BDFPJNNISA-N 441.483 5.220 30 10 IKEE CCCCc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871454990 FHGHZJOQJVNGFX-IWIPYMOSSA-N 445.515 5.873 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1871861253 ZQRPDEJVSNKSAL-QFIPXVFZSA-N 446.588 5.125 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Cl)cc1)c1ccccc1)S(=O)(=O)CCCC 1871884873 NEKJVLVGEYOYRR-OAQYLSRUSA-N 434.989 5.028 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OCC(C)C)cc3)n2)cc1OC 1872761133 GXVOITVFAAQJFS-IBGZPJMESA-N 436.533 5.352 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC 1872765979 AEGNWCUNUBRKJS-MUFCHLESSA-N 438.936 5.760 30 10 IKEE COc1ccc(CC(=O)[C@H](C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)c(OC)c1 1872785462 NJZVPVJBASCIOY-NRFANRHFSA-N 448.588 5.852 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H](CC)CCCCC)=C(c2ccc(Cl)cc2)C1=O 1873138295 KUACGRXYNOSVND-QFIPXVFZSA-N 447.063 6.729 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(C(C)(C)C)cc2)=C(c2cccc(Br)c2)C1=O 1873228451 PZVQSXZEHUYZQU-UHFFFAOYSA-N 439.353 5.125 30 10 IKEE NC1=C(c2nc(-c3ccccc3)c(-c3ccccc3)s2)C(=O)CN1CCC1=CCCCC1 1873528321 RSBFANBEPBESRZ-UHFFFAOYSA-N 441.600 5.880 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(CCCC)cc2)cc2c(N(CCC)CCC)ncnc21 1873665564 GTWGCJQXKYLGDK-UHFFFAOYSA-N 433.600 5.839 30 10 IKEE CCCSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1ccccc1 1874198478 DKAFHJDDEQOQBH-LGUFXXKBSA-N 430.577 5.827 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1cccc(OC)c1 1874203896 CEDYPNZDCKSENA-FSJBWODESA-N 449.363 5.333 30 10 IKEE C=CCSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1ccccc1OC 1874206584 JBKJBOJWIZJDCC-FSJBWODESA-N 449.363 5.333 30 10 IKEE C=C(C)CSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1ccc(C(C)C)cc1 1874247286 WGLUTEWCDQIOCY-WPWMEQJKSA-N 448.636 6.272 30 10 IKEE CCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1c(Cl)cccc1Cl 1874254864 DBPHZXSWFAGFDL-BHGWPJFGSA-N 449.407 6.083 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874287770 WFVKSYZWWYOPKK-XQNSMLJCSA-N 427.574 5.811 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2cccn2C)cc1C 1874358348 CAOLZTLZQDCMMO-NLRVBDNBSA-N 429.593 5.041 30 10 IKEE CCCSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1cccc(Br)c1 1874358839 CBFFVQFTIRMJRM-OEAKJJBVSA-N 443.414 5.633 30 10 IKEE Clc1ccccc1CSc1nnc(COc2ccccc2)n1/N=C/c1ccccc1 1874384603 YSEWBVXLOCYJKZ-MFKUBSTISA-N 434.952 5.685 30 10 IKEE Cc1ccccc1CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1ccc(F)cc1F 1874392142 FMZMTQXZCHIRCC-OVNWTWFZSA-N 448.542 6.191 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C(C)(C)C)c1 1874485226 KJJWIAFLEQXEMU-WPWMEQJKSA-N 444.604 6.302 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2cccc(Cl)c2)c1 1874493938 LWLIRGAMOXROQF-ZMOGYAJESA-N 439.972 5.120 30 10 IKEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2C2CCC2)cc1 1874494132 QPKYEOCPZNSGPC-CVKSISIWSA-N 447.608 5.338 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(CCC)nnc2SCc2ccc(C)cc2)cc1 1874504359 NYDJYASIOIFZIO-NLRVBDNBSA-N 436.625 6.283 30 10 IKEE CCCc1nnc(SCC)n1/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1874506764 TYDVUWCFANVKKG-ZMOGYAJESA-N 449.407 6.111 30 10 IKEE CC(C)c1nnc(SCc2cccc3ccccc23)n1/N=C/c1c[nH]c2ccccc12 1874515399 WNTRTTYMDJDHKU-JFLMPSFJSA-N 425.561 6.211 30 10 IKEE CCCOc1ccc(/C=N/n2c(C)nnc2SCc2ccc(Cl)c(Cl)c2)cc1 1874535523 LKNFKRVIPCSGIL-FSJBWODESA-N 435.380 5.857 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cccc(OC)c1OCc1c(Cl)cccc1Cl 1874577082 VPWHPBKSCGSSCS-BUHFOSPRSA-N 443.326 6.486 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OCC(=O)Nc3c(C)cccc3C)c2)c1 1874597029 QFCBCCUMBXYNOM-ACCUITESSA-N 445.515 5.234 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OCc3cc(C)ccc3C)c(OC)c2)cc1 1874608646 ZLPLKSCUEMHUDW-KPKJPENVSA-N 436.935 6.449 30 10 IKEE CCN(CC)C(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccccc2Cl)cc1OC 1874608895 MUMUXVXJBRZQNM-ZHACJKMWSA-N 436.335 5.145 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1Cl)Nc1ccccc1F 1874613167 GLBYHLZUBJJLGE-VZUCSPMQSA-N 444.289 6.046 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccccc3)cc2[N+](=O)[O-])cc1C 1874614306 DYKNBAATSKPQBD-FMIVXFBMSA-N 430.460 5.125 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OCc1ccc(Cl)c(Cl)c1 1874617904 ZMFOSBBIZAQWBA-UXBLZVDNSA-N 441.354 7.094 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OCc3nc(O)c4ccccc4n3)cc2)c1C 1874629223 RSPRMEKSLCBAAG-SDNWHVSQSA-N 438.527 6.044 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCC 1874663603 QYNHGEKQHNHAIG-DEOSSOPVSA-N 427.633 5.642 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1OC(=O)CC(C)(C)C 1874697487 AEKWOQGBZWEBEA-CSKARUKUSA-N 431.326 5.695 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OC(=O)Cc1cc(C)ccc1C 1874703627 YWYAVYOINFCZGP-ZRDIBKRKSA-N 428.528 5.973 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1OC(=O)Cc1ccccc1F 1874706836 BKRHMSDINOVHKR-FYWRMAATSA-N 440.470 6.032 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(Cl)cc2Cl)CSc2nncn21 1874812240 ACDRNYOSJVYLJQ-QGZVFWFLSA-N 427.401 5.647 30 10 IKEE CCCCCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2cccc(OC)c2)cc1OC 1875103027 UCJPDZKDOSYTMR-BUHFOSPRSA-N 426.509 5.484 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Br)c1OC(=O)C(C)C 1875112046 RXCKZZJXDCQDLK-CMDGGOBGSA-N 437.717 5.569 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2)cc1OC 1875131202 MFJLKSFNBSLVGU-MDWZMJQESA-N 430.500 5.365 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3C)c(Br)c2)cc1 1875135830 JMTNAXPNZCDAOR-UKTHLTGXSA-N 435.317 6.181 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3)cc2)cc1Cl 1875173571 OLTYGMJALWFWOX-LFYBBSHMSA-N 440.854 5.612 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc([N+](=O)[O-])c1OC(=O)C1CCC1 1875183495 DJAYYMCJQZSRNR-MDZDMXLPSA-N 437.492 5.520 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc1 1875186599 DAQSUZPYDJEDSF-NTCAYCPXSA-N 444.527 5.755 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)c3ccccc3)cc2)c(OC)c1OC 1875193949 HGCQJYZJECHNLF-FXFXYLOPSA-N 446.499 5.318 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCC)c2ccc(Br)cc2F)C1 1877007191 RUXKESNCZFAHBQ-QGZVFWFLSA-N 427.358 5.100 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cccc4c3-c3ccccc3C4)ccc21 1891231189 JQRSQXSQSZIXNB-UHFFFAOYSA-N 438.527 5.448 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1C[C@@H]2C[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 1911152644 OZWUBIGDOAORIF-VDLPQLTJSA-N 428.617 5.067 30 10 IKEE C=CCCCCCCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1995329082 XVSQXPJBOZHXOG-AREMUKBSSA-N 449.591 6.675 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@H]1CC[C@@](F)(CNC(=O)OC(C)(C)C)CC1 2008941400 APZCHXHJRMHYKW-TZBSWOFLSA-N 434.596 5.161 30 10 IKEE CC[C@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 2014644543 IGXLCGYATHNUGE-JPYJTQIMSA-N 449.979 5.763 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)[C@@H]1C1CC1 2014663788 FSCAPYMCVSGXHK-CYFREDJKSA-N 427.545 5.110 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Cl)c(Br)c1F 2035956033 ORWQODLTRRJJDT-BBRMVZONSA-N 435.765 5.362 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CC[C@H](C)C[C@H]1OCc1ccccc1 2043774861 NIKNLXHUMQFHQP-VLUSQRCCSA-N 434.580 6.404 30 10 IKEE C=C(CC[C@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C)C(C)C 2049389080 BDHQMRXFDYJGII-FLINSYERSA-N 440.756 8.415 30 10 IKEE Cc1ccc([C@@H](C(C)C)n2nc(C3CCC3)c(C#N)c2I)cc1F 2079126601 AOHVSKFCSUKQTF-GOSISDBHSA-N 437.300 5.320 30 10 IKEE CC[C@@H](c1ccc(C(F)(F)F)cc1)n1nc(C2CCC2)c(C=NO)c1Br 2079877427 YCHOHXBZFFBAAF-HNNXBMFYSA-N 430.268 5.739 30 10 IKEE CC(C)Oc1ccc([C@@H](C2CC2)n2nc(C(F)(F)F)c(C#N)c2Br)cc1 2080057648 LZLZCOACXSJYGB-OAHLLOKOSA-N 428.252 5.323 30 10 IKEE CC1([C@@H]2CSC(=Nc3ccc(Cl)c(I)c3Cl)N2)CC1 2094132746 YVEMNBDEIBADSO-VIFPVBQESA-N 427.138 5.091 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@H](C#N)c1ccc(Cl)c(Br)c1F 2097607397 MIRJQWZKZUOFDN-HNNXBMFYSA-N 445.760 6.376 30 10 IKEE C=CCCCC[C@H](NCCC)[C@H](O)c1cc(Br)c(Br)s1 2179676016 BTVLNPNNPLHYRJ-JSGCOSHPSA-N 425.230 5.421 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1cccc2c1OCO2 2233871082 JQCAVTHKLUPGMT-INIZCTEOSA-N 431.286 5.184 30 10 IKEE CC=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C#Cc1ccccc1Br)NCCC 2235747038 MXHSOYMTEGJPAU-UXHICEINSA-N 435.406 5.028 30 10 IKEE C=CCCCCC[C@H](NC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237403853 ZPIOJWAAOLGKHA-PMACEKPBSA-N 439.438 5.609 30 10 IKEE C=C(COCc1ccccc1)[C@H](CN(CC1CCCCC1)C(=O)OC(C)(C)C)NCC 2250591332 LVYHCXORJVJGSA-DEOSSOPVSA-N 430.633 5.555 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)[C@H](C)C(C)(C)C)s1 2255868233 LXEMTHDVFYLFJB-GOSISDBHSA-N 441.446 5.433 30 10 IKEE CC(C)(C)C#CC=CC[C@H](O)c1ccc(Br)cc1I 2268792974 HSQHQXQMYBWOJY-HNNXBMFYSA-N 433.127 5.083 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)cc(C(C)C)c1 2280710204 FIYPXRBRGPSIEE-VQTJNVASSA-N 439.438 6.083 30 10 IKEE Clc1ccc(C=CC=Nc2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)cc1 2293185152 OCAIBBVBNONNEU-UHFFFAOYSA-N 427.718 7.871 30 10 IKEE FC(F)(F)C1(C(F)(F)F)OC(=NC2CCCCC2)C(C(F)(F)F)(C(F)(F)F)O1 2294798101 PEPLUYGLKLLGRG-UHFFFAOYSA-N 441.212 5.449 30 10 IKEE Cc1ccccc1N=C1SC(=C2Sc3ccccc3N2C)C(=O)N1C1CCCCC1 2295172686 YKANPUHHWKGAIN-UHFFFAOYSA-N 435.618 6.302 30 10 IKEE C[C@H](NC(=O)OC(C)(C)C)c1ccc([C@H](O)C#Cc2ccc(Br)cc2)cc1 2296268045 ZREJSVUBEONEKF-MGPUTAFESA-N 430.342 5.120 30 10 IKEE CN(Cc1ccc(C(=O)C#Cc2ccc(Br)cc2)cc1)C(=O)OC(C)(C)C 2296268486 FJWURISCFIZUOR-UHFFFAOYSA-N 428.326 5.050 30 10 IKEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@H]1CN(Cc2ccccc2)C(C)(C)C1 2296282979 BCZLIWJJDOENIO-GGAORHGYSA-N 425.414 5.079 30 10 IKEE O=C1C(=Cc2ccc(F)cc2)Oc2cc(OCc3ccc(Br)cc3)ccc21 2296867370 KYNVTYGRVVIZJL-UHFFFAOYSA-N 425.253 5.783 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2308985142 NGVKMMMPOLTLRU-JMQJIOGXSA-N 447.620 5.532 30 10 IKEE CCCc1nnc(SCc2ccccc2)n1N=Cc1ccccc1OCc1ccccc1 2318573949 BHVITOWBRGDSKV-UHFFFAOYSA-N 442.588 5.984 30 10 IKEE Cc1ccc(COc2ccc(C=NNc3oc([C@H]4C[C@@H]4c4ccccc4)nc3C#N)cc2)cc1 2320839908 IFAOSZGUAQCAFJ-RPBOFIJWSA-N 448.526 6.151 30 10 IKEE O=[N+]([O-])c1cccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CC2)c1 2320873768 RNGQOIWOLQRMRB-UHFFFAOYSA-N 429.505 5.391 30 10 IKEE C=C(C)CSc1nnc(CC)n1N=Cc1ccc(OCc2ccc(C)cc2)c(OC)c1 2321004358 GQOVYQMHBGJSGM-UHFFFAOYSA-N 436.581 5.287 30 10 IKEE C[C@@H](c1cccs1)N(Cc1ccccc1)c1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2322306871 PYGKVCXKDGDJKJ-KRWDZBQOSA-N 438.377 5.349 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCc3ccccc3Cl)ccc3ccccc23)cc1C 2322415380 OJCIAOYEZSFEMB-UHFFFAOYSA-N 442.942 7.285 30 10 IKEE CCc1ccc([C@H](C)N2COc3c(cc4c(c3C)OC(=Cc3ccccc3F)C4=O)C2)cc1 2322455470 KXRFPOBFZIWIDA-SFHVURJKSA-N 443.518 6.226 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(Cl)ccc1OCc1c(F)cccc1Cl 2322643051 AMIBYDCJFGTEGX-UHFFFAOYSA-N 445.317 6.925 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3ccccc3)c2)c(OCC)c1 2323288754 VJTXYVXQDDBHKZ-UHFFFAOYSA-N 445.515 5.398 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccc(CC)cc2)cc1[N+](=O)[O-] 2323471514 OERNWFDUQUJSOK-UHFFFAOYSA-N 438.524 5.081 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)ccc1OCc1ccccc1Cl 2323620164 CQRBFMVDCNUHEP-UHFFFAOYSA-N 427.327 6.867 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCCc3ccccc3)c(Br)c2)cc1 2323628676 URBKVCNSJAMOIM-UHFFFAOYSA-N 437.333 5.975 30 10 IKEE CC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)c1 2323896943 UTSVUVCUNWKSGO-UHFFFAOYSA-N 448.858 5.409 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)ccc1OCc1ccc(C)cc1 2324048074 WTJQJUXUVMDGOM-UHFFFAOYSA-N 430.500 5.640 30 10 IKEE CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1ccccc1)C2=O 2324326119 XQTCEAIGVHGVCT-GOSISDBHSA-N 443.499 5.416 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)OC(=Cc1cccs1)C2=O 2324345651 VOFIJQQKNSUELF-KRWDZBQOSA-N 447.556 5.950 30 10 IKEE COc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccccc4)cc(C)c3C2=O)cc1 2324402062 HQXFISWSPDAHRE-QGZVFWFLSA-N 429.472 5.026 30 10 IKEE CCOc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1OC 2324430103 IUZFWGBOOLNPSM-IBGZPJMESA-N 434.517 5.116 30 10 IKEE CCc1ccc(OCCCOc2ccc3c(c2)OC(=Cc2ccc(OC)cc2)C3=O)cc1 2324652272 QXBCJRCSSAFNLO-UHFFFAOYSA-N 430.500 5.722 30 10 IKEE Cc1cccc(COc2ccc(C=CC(=O)c3cc(Cl)ccc3Cl)cc2Cl)c1 2324653835 NLBIOKWWMQTZGB-UHFFFAOYSA-N 431.746 7.430 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4cccc(C(C)=O)c4)ccc3C2=O)cc1 2325382919 GONLYLLXAHDQRQ-UHFFFAOYSA-N 441.483 5.085 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(OCCC(=O)Nc4ccccc4)c3C)C2=O)cc1 2325481654 VEGLYYHDLWLQRW-UHFFFAOYSA-N 443.499 5.418 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(O)c(O)c1 2325571678 GWPPFHDVRKBBCJ-UHFFFAOYSA-N 437.352 5.123 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4Cl)cc(C)c3C2=O)cc1 2325718350 FYKKUAKTFJJSNE-UHFFFAOYSA-N 447.918 5.845 30 10 IKEE O=C(CCCOc1ccc2ccccc2c1)Oc1cccc(C=CC(=O)c2ccccc2)c1 2325732760 OVYHNECPKRPOND-UHFFFAOYSA-N 436.507 6.501 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3cc(C)c(Cl)c(C)c3)c2)cc1 2325738381 GNYNNGQESVRQMH-UHFFFAOYSA-N 434.919 6.146 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OC(=O)CCc1ccc(Cl)cc1 2325740002 QWIYIIQBHRGIHE-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE O=C(COc1ccccc1)Oc1cccc(C=CC(=O)c2cc(Cl)ccc2Cl)c1 2325774102 UDRQDCIBJCBYQN-UHFFFAOYSA-N 427.283 5.874 30 10 IKEE CCCSc1nnc(CCCOc2ccc(OC)cc2)n1N=Cc1ccccc1Cl 2326272161 HBRDTLSKDQUREK-UHFFFAOYSA-N 444.988 5.336 30 10 IKEE CCCCOc1cccc(C=Nn2c(CCC)nnc2SCc2ccc(Cl)cc2)c1 2326358272 HKMNXLHKPRIJCQ-UHFFFAOYSA-N 443.016 6.237 30 10 IKEE CCCCOc1cccc(C=Nn2cnnc2SCc2ccc(Br)cc2)c1 2326606507 KFLVAALLZXOJPR-UHFFFAOYSA-N 445.386 5.394 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2OCC)n1N=Cc1ccc(Cl)cc1 2326832604 FCUNLOHIAUKQEF-UHFFFAOYSA-N 442.972 5.460 30 10 IKEE C=CCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1cn(C)c2ccccc12 2327288782 YQUCISWXENQRKL-UHFFFAOYSA-N 445.592 5.434 30 10 IKEE Clc1ccc(OCc2nnc(SCCc3ccccc3)n2N=Cc2ccccn2)cc1 2327559785 OMPIQGSVUOLUOM-UHFFFAOYSA-N 449.967 5.123 30 10 IKEE C=CCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1cccc([N+](=O)[O-])c1 2327770647 JHVIWVZDEZVXFG-UHFFFAOYSA-N 429.505 5.091 30 10 IKEE CCCOc1cccc(C=Nn2c(CCc3ccc(Cl)cc3)nnc2SCC)c1 2328051362 BLTPOEUDMBAQIF-UHFFFAOYSA-N 428.989 5.500 30 10 IKEE CCCCC1CCC(c2nnc(SC)n2N=Cc2ccc(Cl)c(Cl)c2)CC1 2328106772 LUGDBHFFWVGCSQ-UHFFFAOYSA-N 425.429 6.653 30 10 IKEE Fc1cccc(CSc2nnc(CCc3cccs3)n2N=Cc2cccs2)c1 2329647050 MRSGJMVKYDYJEQ-UHFFFAOYSA-N 428.583 5.500 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C(F)(F)F)c(Br)c1)c1ccc2ccccc2c1 2330663622 CTPDWJXLPDSXPN-UHFFFAOYSA-N 449.222 5.966 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)C=Cc1ccccc1[N+](=O)[O-])[C@H](C)CC 2330664500 BNVWSAPONYDQRS-YKSBVNFPSA-N 445.604 5.396 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OC(=O)C1CCCC1 2330807413 AZUQADLRNXTTSB-UHFFFAOYSA-N 449.330 6.002 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cccc(Br)c3)cc2)cc1C 2330994273 FXYQRJHQOBNXCA-UHFFFAOYSA-N 435.317 6.181 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)cc2F)c(Cl)c1)c1cccc(Cl)c1 2331123079 AQBMGZPTPQGWAV-UHFFFAOYSA-N 433.237 6.387 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2-c2ccccc2)c(Cl)c1)c1ccccc1 2331166073 LPCDGHQVVOKDTE-UHFFFAOYSA-N 438.910 7.122 30 10 IKEE Fc1ccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2-c2ccco2)cc1 2331226603 XOZOGYXRUWHKNN-UHFFFAOYSA-N 447.322 6.159 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Br)c1OC(=O)CC 2331327754 QDAJHZBELCJVQM-UHFFFAOYSA-N 431.326 5.676 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)c1ccc(F)cc1 2331531327 MOTJRRSFPKHERH-UHFFFAOYSA-N 442.845 6.132 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc1OCC 2331550420 YXGXAACAXUGPCT-UHFFFAOYSA-N 438.564 6.383 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc(Cl)c2)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 2331562326 KLXXQINTHBFUSS-UHFFFAOYSA-N 443.789 5.642 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1Cl)c1cccc(F)c1 2331860117 DOTXMDIJXQUXRB-UHFFFAOYSA-N 449.692 6.901 30 10 IKEE N#Cc1ccc(Br)cc1NCc1cc(I)ccc1Cl 2352443951 LSWCCXSVDUFVPG-UHFFFAOYSA-N 447.501 5.191 30 10 IKEE CCCCCCCCCC(=O)[C@H](O)c1sc(Cl)cc1I 2366786396 JHZLKAQTDMCFTB-AWEZNQCLSA-N 428.763 5.749 30 10 IKEE C=C(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C 13548712 IXHACUTUTOCSJE-CUIMAKJMSA-N 440.756 8.415 30 10 IKEE in-vitro COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@H]3c2ccccc2C)cc1 17099619 LIFPMYNMWAFGEK-WINIVTDRSA-N 435.527 5.769 30 10 IKEE O=C1C[C@@H](c2ccccc2Cl)CC2=C1[C@@H](c1ccccc1Cl)Nc1ccccc1N2 20886167 SDPCAWNUFFQGEH-ODCWNRFASA-N 435.354 6.973 30 10 IKEE CCCOc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(C(C)(C)C)cc1)C2 21230764 ONJAKPVGGPUSAV-DENIHFKCSA-N 431.576 5.777 30 10 IKEE COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(OC)c2O)c1 21235751 VBAPPWJIOWARIS-QUGAMOGWSA-N 442.515 5.389 30 10 IKEE CC(=O)Nc1ccc(C(=O)/C=C/c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)cc1 39850890 UBNUHPNXAVIJEG-JXMROGBWSA-N 433.813 6.473 30 10 IKEE C=CCc1ccccc1OCCn1c([C@@H]2CC(=O)N(C3CCCCC3)C2)nc2ccccc21 40271766 LSGDPOJEGCIGDM-JOCHJYFZSA-N 443.591 5.492 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OC(=O)c4cc5cccc(OC)c5o4)ccc3C2=O)c1 41354157 NOOADUAXBUQVIP-UUYOSTAYSA-N 442.423 5.285 30 10 IKEE O=S(=O)(Nc1nccs1)c1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1 59466928 ZWABRQDTCQGVLF-PCLIKHOPSA-N 449.557 5.274 30 10 IKEE Brc1ccc(/N=C2/N[C@@H](Cc3ccccc3)CS2)c(Br)c1 63220517 DSORQJRVXQZQOF-ZDUSSCGKSA-N 426.177 5.147 30 10 IKEE CCCCCCCCCCCCCCCCNC(=S)NC(=O)c1ccccc1OCC 100135626 BPVKJTCIZQWVGQ-UHFFFAOYSA-N 448.717 7.171 30 10 IKEE COC(=O)c1ccccc1CSc1nsc(/C=C\Nc2ccc(Cl)cc2)c1C#N 100277820 YSOVOWPNXDXPKE-KHPPLWFESA-N 441.965 5.830 30 10 IKEE O=C1/C(=C/c2ccc(Br)cc2)S/C(=N/c2nccs2)N1c1ccccc1 101063059 OWIHDBLFCYHMGK-ADXGTRPZSA-N 442.363 5.714 30 10 IKEE CCN1C(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)S/C1=N/c1cccnc1 101124778 RTSBYUYQQZCYST-GKOYHKHUSA-N 449.963 5.938 30 10 IKEE CCCCCCCCCCn1c(CCNC(=O)c2cccc(Cl)c2)nc2ccccc21 102141221 FOBIGALJFYJJGV-UHFFFAOYSA-N 440.031 6.803 30 10 IKEE O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@H](c2ccccc2)/C1=C(/O)c1ccc(F)cc1 103227923 IYICTCVVUAHZNQ-GOBJLOIFSA-N 448.450 5.201 30 10 IKEE N#Cc1ccc(CSc2nnc(NC(=O)CCc3ccc(Cl)cc3Cl)s2)cc1 105837526 SRUPSCFZDLNWKJ-UHFFFAOYSA-N 449.388 5.580 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccc(F)cc2)cc1 169922000 MTLZJFYHCURSBX-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(C)c2C)cc1 169925037 ANWGWAYEOVCYBJ-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE O=C1CCCC2=C1[C@H](c1ccc(OCc3ccc(Cl)c(Cl)c3)cc1)NC(=S)N2 169938946 BODGTUXJNBZRHA-FQEVSTJZSA-N 433.360 5.098 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)C)cc2)[C@H]1c1ccc(O)cc1 169957932 CACNIVLLXNBDGH-DEOSSOPVSA-N 443.499 5.307 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(O)cc2)c1 169960533 QLEOKHDAMPNGQD-XMMPIXPASA-N 439.467 5.538 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(O)c(OCC)c1 169974461 CEZUPKSCJFTVTP-QFIPXVFZSA-N 441.499 5.007 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccccc2)c1 170047481 UZTZFMDIHCFQST-DEOSSOPVSA-N 439.467 5.614 30 10 IKEE CCCCCCCCN1C(=O)C(SCc2ccco2)=C(c2ccc(Cl)cc2)C1=O 170069845 ORVUDXPNGSEYRF-UHFFFAOYSA-N 431.985 6.307 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(C)cc2C)=C(N2CCc3ccccc3C2)C1=O 170095000 JOEKULBSYGRGTO-UHFFFAOYSA-N 444.619 5.802 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2sccc2C)c1 170106186 IIKSXKWUSJTYRP-QFIPXVFZSA-N 431.557 6.073 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2C2CCCC2)c1 170121356 RMGFMJJHUTZJEP-HSZRJFAPSA-N 435.520 5.003 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2cccc(F)c2)c1 170140243 ZXRIBIPJVJXFSU-DEOSSOPVSA-N 445.490 5.704 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@@H]1c1cccs1 170164888 UNYMSGKIHRIUBO-FQEVSTJZSA-N 427.566 5.433 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccccn2)c1 170173806 OWVAOCZPDOQCNT-JOCHJYFZSA-N 448.906 5.307 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(C(C)C)cc1 170244801 LCFKZBNYHCKPDW-VWLOTQADSA-N 443.543 5.578 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2F)cc1C 170249480 NXCFWPBPNSMHJD-DEOSSOPVSA-N 445.490 5.624 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc(O)c2)cc1C 170261943 KLLQBQGBZFTSEZ-HSZRJFAPSA-N 435.520 5.010 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@@H]2c2cccc(O)c2)cc1 170262929 CWIWEZGRSVSEDK-HSZRJFAPSA-N 437.536 5.340 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1Cc1ccco1 170274054 GEGPUOHMEOJHMQ-XMMPIXPASA-N 427.500 5.245 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1c1ccc(F)cc1 170313914 RFVUCTMHWMWLQB-GOSISDBHSA-N 427.884 5.632 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]1c1ccc(C(C)(C)C)cc1 170467021 JRCUMTCFUKPBNC-JOCHJYFZSA-N 435.564 5.504 30 10 IKEE CC(C)Oc1ccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(C(C)(C)C)cc2)cc1 170473335 UQXZTZQJUQBIBQ-QHCPKHFHSA-N 449.591 6.287 30 10 IKEE O=C1/C(=C\c2cccc(Br)c2)SC(=Nc2ccccc2)N1Cc1ccccc1 252594495 BSOCMNASONXDMO-PYYWQZPNSA-N 449.373 6.253 30 10 IKEE CCOc1cc([C@@H](N)CCCB2OC(C)(C)C(C)(C)O2)ccc1OCc1ccccc1 383826108 SGYSRHHKCSREGQ-NRFANRHFSA-N 425.378 5.537 30 10 IKEE CCCCCCCCC[C@@H](NC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 406540737 ZPOKUDWXZUUKJN-HXUWFJFHSA-N 441.454 7.197 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(OCC)cc2)cc1 526603815 PAEGKWZXJSVNPU-RUZDIDTESA-N 440.499 5.413 30 10 IKEE N#Cc1ccc(NC2=C(Sc3ccccc3)C(=O)N(c3cccc(Cl)c3)C2=O)cc1 526657593 HTHWZYFHUQXJIL-UHFFFAOYSA-N 431.904 5.201 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccccc1C(=O)O 526818021 NAPXGTHTTWWWJY-MSXFZWOLSA-N 446.935 5.286 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@@H](NC(=O)c3ccc(C)c(C)c3)C2)c1 585990331 RNRKWZHCGFARGE-XMMPIXPASA-N 433.596 5.176 30 10 IKEE C#CCCCCC[C@@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 686707704 WPNPVHRZVPJOJE-SQHAQQRYSA-N 441.660 5.108 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H](Nc3ccc(Br)c(C#N)c3)C(C)(C)[C@@H]21 693707113 QPBDJOZDPSLUMB-KBAYOESNSA-N 434.378 5.157 30 10 IKEE COc1ccc(Br)cc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 698849121 BVBVCTRSFNWPMF-KRWDZBQOSA-N 435.293 5.603 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@H](C#N)c1cccc(Cl)c1Br 719682591 CYHJGILXIYSVQC-MRXNPFEDSA-N 439.712 6.248 30 10 IKEE CC(=NO[C@@H](c1ccc(/C=C\c2ccc3ccccc3n2)cc1)C1CCCCC1)C(=O)O 725398762 NEANPAYVJXQOKF-DKOIXKOSSA-N 428.532 6.504 30 10 IKEE O=C1C(=NNc2cc(Cl)ccc2Cl)c2ccccc2N1Cc1cccc([N+](=O)[O-])c1 1084267514 CLHXDCYYFLGSSQ-UHFFFAOYSA-N 441.274 5.265 30 10 IKEE O=C1NC(=NN=Cc2cccc3ccccc23)S[C@H]1Cc1cc(Cl)ccc1Cl 1772724816 WWJCCNNKCODUNG-IBGZPJMESA-N 428.344 5.311 30 10 IKEE O=C1/C(=C/c2ccccn2)SC(=Nc2nc(-c3ccccc3)cs2)N1C1CCCCC1 1772734046 CPGUOSBUADTIEQ-QGNOBFDASA-N 446.601 6.142 30 10 IKEE Fc1ccc(-n2cc(/C=N\NC(=S)Nc3cccc(Cl)c3)c(-c3ccccc3)n2)cc1 1857809613 ZTOUWZKLDOCTCK-WGARJPEWSA-N 449.942 5.652 30 10 IKEE Cc1ccc(NC(=S)N/N=C\c2cn(-c3ccccc3)nc2-c2ccc(C)cc2C)cc1 1857811290 NBCVCTSZOBPCPX-YUMHPJSZSA-N 439.588 5.785 30 10 IKEE CCCCCCCOc1cccnc1NC(=O)Nc1cc(Cl)c(Cl)cc1Cl 1858853937 MHXIJVQKAMKESL-UHFFFAOYSA-N 430.763 7.035 30 10 IKEE N#Cc1ccccc1NC(=O)c1cc(-c2ccc(F)cc2)n(Cc2c(F)cccc2Cl)n1 1859385768 GKURHYICIDJLKJ-UHFFFAOYSA-N 448.860 5.654 30 10 IKEE N#Cc1c(NC(=O)c2c3c(nc4ccc(Br)cc24)CCC3)sc2c1CCC2 1859653612 WEFWGEMJIQEMMP-UHFFFAOYSA-N 438.350 5.160 30 10 IKEE Cc1ccc(-c2csc(-c3ccc(CN=c4[nH]cc5c(c4C#N)CCCC5)cc3)n2)cc1 1859806802 FJWFNFDIWZSAJH-UHFFFAOYSA-N 436.584 5.965 30 10 IKEE N#Cc1cccc(C(=O)Nc2ccc(OCC(=O)c3ccc(-c4ccccc4)cc3)cc2)c1 1860159930 RQGYWQKFHGUHSI-UHFFFAOYSA-N 432.479 5.739 30 10 IKEE C=C(C)Cn1nc(C)c(CCC(=O)N[C@@H](c2nc3ccccc3n2C(C)C)C(C)C)c1C 1860323156 XULNSKOPAODJKB-RUZDIDTESA-N 435.616 5.453 30 10 IKEE COc1cc(/C=C/C(=O)C(=O)NC2CCCCCCCCCCC2)cc(OC)c1OC 1860732799 RCEYSKMRJXAUNW-FOCLMDBBSA-N 431.573 5.084 30 10 IKEE Cc1ccc(NC(=O)CSc2nc(O)c(C#N)c(-c3ccccc3Cl)n2)cc1Cl 1860827638 WXSSNQHEEKFBHN-UHFFFAOYSA-N 445.331 5.067 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC(C)C)NC(=O)/C=C/c1ccc(Cl)cc1 1861102383 BRNUDYLTRQRXFA-AKXFXYSNSA-N 435.052 6.141 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(Cl)cc3)[C@H]2c2ccccc2F)cc1 1862473901 IKVFNHZNRBVSJF-QHCPKHFHSA-N 449.909 5.609 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCc2cccs2)c1 1862508176 YIUFVTQQQYLVNV-JOCHJYFZSA-N 435.520 5.325 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@H]1c1ccc(F)cc1F)c1cccc(O)c1 1862594622 HFPAYPXJPYYYOB-QFIPXVFZSA-N 441.474 5.362 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(C(C)(C)C)cc2)=C(O)C(=O)N1CCCCN(C)C 1862613460 IJNKBZQKAVAGEG-DEOSSOPVSA-N 448.607 5.213 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1cccc2ccccc12 1862619724 BCUDRHISDISWJS-RUZDIDTESA-N 441.571 6.516 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(Cl)cc2)cc1F 1862640345 GRQGYGAQVSYRJQ-OAQYLSRUSA-N 443.902 5.399 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccc1[N+](=O)[O-] 1862654661 PDHDHXWQUNIMGY-QHCPKHFHSA-N 444.487 5.372 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(Cl)cc1Cl 1862658748 UDTDJHSEBUTGGO-NRFANRHFSA-N 438.310 5.911 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccccc1 1862721045 AQQFOBADECSJEK-VWLOTQADSA-N 425.528 6.122 30 10 IKEE N#Cc1ccccc1NC1=C(c2ccc(Cl)cc2)C(=O)N(Cc2ccc(Cl)cc2)C1=O 1863179879 KJKCNHORVAAZSN-UHFFFAOYSA-N 448.309 5.257 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccccc2[N+](=O)[O-])C1=O 1863239969 WSNAACKGJYYANK-UHFFFAOYSA-N 446.507 5.019 30 10 IKEE Cc1ccccc1[C@H](NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 1865966129 HGRPKHHTHPWBNL-AWEZNQCLSA-N 429.282 6.066 30 10 IKEE C[C@H](NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnc(-c2ccccc2F)o1 1868040280 ZPQKLQWLCMKVBF-VIFPVBQESA-N 447.310 5.404 30 10 IKEE CC[C@H]1Cc2cc(OC)ccc2N(c2cc(Nc3ccc(C#N)cc3)nc(C(C)(C)C)n2)C1 1868355341 GMBSFILUFKAJMB-SFHVURJKSA-N 441.579 6.118 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc3ccccc23)cn1CCCCCC 1870487624 KQRMZQKCSUIBTD-UHFFFAOYSA-N 444.619 6.335 30 10 IKEE CCCCCCCCn1cc(OCCO)c(=O)cc1CNc1ccc(C(C)(C)C)cc1 1870790192 MSTVNIPPSWTFSB-UHFFFAOYSA-N 428.617 5.490 30 10 IKEE CCCCCCCCn1cc(OCC(C)C)c(=O)cc1CNc1ccc(C(C)C)cc1 1870858204 YNBQFKWJMLZZQH-UHFFFAOYSA-N 426.645 6.979 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc4c3CN(CCCCc3ccccc3)CO4)C2=O)cc1 1871354380 OYLKOZJDVHQXAB-ONUIUJJFSA-N 441.527 5.486 30 10 IKEE CCCCC1CCC(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2OC)C3=O)CC1 1871382917 KAYWNLROLXWADY-XYGWBWBKSA-N 448.559 6.522 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O)c1ccc(-n2cccc2)cc1 1871384438 RQFSPPFJGXUKOX-IWIPYMOSSA-N 425.415 5.452 30 10 IKEE Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)c(C)c1 1871403341 VUBSLDYPCIHQTG-DNNAEVNTSA-N 445.490 5.773 30 10 IKEE Cc1c(OCCOc2ccc(C(C)(C)C)cc2)ccc2c1O/C(=C\c1ccncc1)C2=O 1871414170 AWEWOPRXDZNVSF-ULJHMMPZSA-N 429.516 5.762 30 10 IKEE CCCOC(=O)[C@H](CC)Oc1cc(C)c2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O 1871433282 LHFUUERDJIIYLD-HRVJUDJTSA-N 432.875 5.514 30 10 IKEE Cc1c(OCC(=O)Nc2ccccc2)ccc2c1O/C(=C\c1cn(C)c3ccccc13)C2=O 1871459975 OGOAVAUNWTYLKD-OYKKKHCWSA-N 438.483 5.120 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1ccccc1CC)S(=O)(=O)c1ccc(Cl)cc1 1872475506 LFOJXJJHKMXGHL-JOCHJYFZSA-N 449.016 5.277 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(Cl)ccc3Cl)n2)cc1OC 1872761141 HBEMUQQRYIFJAF-AWEZNQCLSA-N 433.316 5.624 30 10 IKEE Cc1cc(OCC(=O)[C@H](C#N)c2nc(-c3cccc(Cl)c3)cs2)cc(C)c1Cl 1872766387 IKZDGDUTDAPLPG-KRWDZBQOSA-N 431.344 5.989 30 10 IKEE Cc1cc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccccc3Cl)n2)ccc1F 1872772539 PINMMIILCKSYQQ-INIZCTEOSA-N 428.916 5.947 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(Cl)c(Cl)c3)n2)cc1F 1872774807 CFYNSOYTYQAAAB-CYBMUJFWSA-N 435.307 5.684 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(C)cc3)n2)c1 1872781511 VSWGVNVVBWRVSJ-ACUNGTFPSA-N 432.545 5.806 30 10 IKEE N#C[C@@H](C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872787138 BPTFFDRDDBCQJF-ICFOYXHFSA-N 444.299 5.915 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@H](C#N)C(=O)COc2ccc(Cl)c(C)c2)n1 1872788137 DUFFBOICEWFRRI-MRXNPFEDSA-N 447.343 5.689 30 10 IKEE CCCCC1CCC(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)CC1 1872789345 GOQSQTUTDZXTIO-LEOMRAHMSA-N 431.001 6.645 30 10 IKEE C=CCOc1ccccc1OCC(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1 1873434589 ZNJVDANZSOHTHH-UHFFFAOYSA-N 447.969 5.066 30 10 IKEE CCCCCCCCN=c1nc2c(cnn2-c2ccc(Cl)cc2)c(N2CCCCC2)[nH]1 1873488199 QSLPQZZYRZHUHY-UHFFFAOYSA-N 441.023 5.654 30 10 IKEE CCCCCCCCCCNC(=O)CCc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O 1873935551 VCYDRTPFXYDLJV-UHFFFAOYSA-N 439.596 6.654 30 10 IKEE CCCSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1cc(C)ccc1O 1874209396 HMDMJRPCQWIYPI-LPYMAVHISA-N 445.386 5.030 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(CC34CC5CC(CC(C5)C3)C4)nnc2SC)cc1 1874242185 SCKOKLIZJRXIJA-YZSQISJMSA-N 437.657 5.487 30 10 IKEE C=C(C)CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1c[nH]c2ccccc12 1874243753 VPJYGQDGEFDYRA-RWPZCVJISA-N 445.636 6.069 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1ccc(Cl)cc1 1874251967 DZRZJVSDPMRQNP-MFKUBSTISA-N 441.000 5.802 30 10 IKEE CCCOc1ccccc1/C=N/n1c(CCCOc2ccc(C)cc2)nnc1SCC 1874252772 VJVCMXGVZVHMRH-XIEYBQDHSA-N 438.597 5.381 30 10 IKEE C=CCSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1c(F)cccc1Cl 1874258636 AWJZBAHZWIJLKG-AFUMVMLFSA-N 444.963 5.762 30 10 IKEE C=C(C)CSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1ccccc1OC 1874284969 IMASLLLVYLJEKT-PCLIKHOPSA-N 426.630 6.301 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3[N+](=O)[O-])n2/N=C/c2cccs2)c1 1874295487 DUHASDCMDKNLKV-OEAKJJBVSA-N 449.561 5.322 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccccc1 1874361452 LEYCMVDSIINNCD-WPWMEQJKSA-N 430.552 5.685 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccco1 1874376680 IKRLDVWTETTWEK-JVWAILMASA-N 442.519 5.929 30 10 IKEE CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1ccc(OCc2ccc(C)cc2)cc1 1874391259 AQGPMTZNKIOUCZ-AYQSFACRSA-N 442.588 5.921 30 10 IKEE CCCSc1nnc(CCc2ccccc2)n1/N=C/c1cc(Br)ccc1F 1874404533 COWUVCLDIUNPIS-OEAKJJBVSA-N 447.377 5.349 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(CC3CCCCC3)nnc2SCCc2ccccc2)c1 1874408243 MVQKBADHNAHTEF-NLRVBDNBSA-N 434.609 5.632 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2-c2cccs2)c(F)c1 1874422662 YCNDTBFIJXZUAV-BHGWPJFGSA-N 446.935 6.113 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1ccccc1Cl 1874476587 PYNPYYZHVZBDQX-ZMOGYAJESA-N 445.951 5.026 30 10 IKEE CN(C)c1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CCC2)cc1 1874495887 KICHSGJVJZPVCR-ZVHZXABRSA-N 425.989 5.440 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C2CC2)cc1O 1874521024 XHIOHICXZVVKHZ-LSFURLLWSA-N 435.336 5.048 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1cccc([N+](=O)[O-])c1 1874525817 HDCDQLPEZCYEEJ-UFFVCSGVSA-N 436.324 5.230 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)NCc2ccccc2)c(C)c1 1874578689 BOZFWGGCBFKQHL-FMIVXFBMSA-N 433.935 5.548 30 10 IKEE CCc1ccccc1NC(=O)COc1cccc(/C=C/C(=O)c2ccc(C(C)C)cc2)c1 1874597816 GIDLYXUCTGYHGC-SFQUDFHCSA-N 427.544 6.286 30 10 IKEE Cc1ccc(COc2ccc(/C=C/C(=O)c3ccc(Cl)c(Cl)c3)cc2Cl)cc1 1874615581 GDRAIZUEEUAWEG-UXBLZVDNSA-N 431.746 7.430 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OCc3c(Cl)cccc3Cl)c(Cl)c2)c1 1874618058 HXJVRSFJKRYPLJ-CSKARUKUSA-N 445.773 7.739 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OCc1cccc(F)c1 1874628984 HCEVCZPVMPJRPF-ZRDIBKRKSA-N 432.535 6.933 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2OC)ccc1OCc1ccccc1F 1874632387 GPNILOYCTQHEGK-UKTHLTGXSA-N 436.479 5.717 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2ccc(OC)cc2OC)cc1 1874632576 KEFPPFOXOIZVTB-LFIBNONCSA-N 445.515 5.180 30 10 IKEE Cc1ccccc1CCC(=O)Oc1cccc(/C=C/C(=O)c2ccc(Br)cc2)c1 1874697467 ZIKHMLATDMSOCK-OQLLNIDSSA-N 449.344 6.192 30 10 IKEE COc1cccc(C(=O)Oc2cccc(/C=C/C(=O)c3cc(C(C)C)c(OC)cc3C)c2)c1 1874711249 XCPGZQSALABVGJ-OUKQBFOZSA-N 444.527 6.251 30 10 IKEE CSCCCC(=O)Oc1cccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)c1 1874712867 UJILDJTTZFUGAD-SFQUDFHCSA-N 432.541 6.424 30 10 IKEE COc1cccc(CCC(=O)Oc2cc(/C=C/C(=O)c3ccc(C)c(C)c3)ccc2OC)c1 1874713803 OLMMZEYKBPOEIY-UKTHLTGXSA-N 444.527 5.755 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3c(C)ccc(C)c3C)c2)cc1C 1874714383 SKWMCKTWAKAMIK-WYMLVPIESA-N 428.528 6.109 30 10 IKEE COc1cccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3cc(C)c(OC)cc3C)c2)c1 1874717665 IBPFGSUMLUFURR-VAWYXSNFSA-N 446.499 5.201 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1 1875080310 JJWLOIMOELEEAT-DEDYPNTBSA-N 432.519 6.706 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)c(C)c3)c(Cl)c2)c1 1875103054 VTHCACSDLQABEZ-PKNBQFBNSA-N 434.919 6.010 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2OC)cc(OC)c1OC(=O)CC1CCCCC1 1875119985 WNMMILPMKUENCO-FOCLMDBBSA-N 448.559 6.204 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc([N+](=O)[O-])c1OC(=O)c1cccc(C)c1 1875127109 OORPAHCKJWGODT-OUKQBFOZSA-N 431.444 5.417 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)c1cc(Cl)ccc1OC 1875128250 AKMQQYCKQADSAT-FMIVXFBMSA-N 436.891 5.863 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2[N+](=O)[O-])cc1 1875134741 INAMWIBAZKVKJR-AWNIVKPZSA-N 445.471 5.726 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 1875148617 JJLKELFVZZRFFQ-AWQFTUOYSA-N 440.583 7.397 30 10 IKEE COc1cccc(C(=O)Oc2c(Cl)cc(/C=C/C(=O)c3ccc(F)cc3)cc2OC)c1 1875157677 JUYDRPQAPGGGJX-IZZDOVSWSA-N 440.854 5.612 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)CCCOc2ccccc2)cc1 1875169547 MWOSMQLQYFARRR-DTQAZKPQSA-N 444.527 5.973 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)cc1[N+](=O)[O-] 1875188687 FBQKVDJRKTUIJZ-DHZHZOJOSA-N 445.899 6.029 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCSC)c(Cl)c2)cc1Cl 1875188785 JKBLNSKOZTTXOK-VMPITWQZSA-N 439.360 5.947 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@](C)(C#N)C(C)(C)C(F)(F)F 1878633098 XBTIQNVKGJCLAX-KRWDZBQOSA-N 435.284 6.061 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1cc(OC)ccc1NC(=O)OC(C)(C)C 1922077465 NXRDNIAVOOYCPA-XMMPIXPASA-N 440.584 5.856 30 10 IKEE CC(C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CN(Cc2ccccc2)C2(CCCCCC2)C1 1950505099 RTKYUWWODAGNNQ-AREMUKBSSA-N 425.617 5.893 30 10 IKEE CCSc1cccc(NCCNC(=O)OCC2c3ccccc3-c3ccccc32)c1C#N 1960164847 VTWMWVCOBJIAKD-UHFFFAOYSA-N 443.572 5.621 30 10 IKEE C=C(Cl)C[C@H](NC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2016751870 JNSWRXHMWBNVBN-OZXSUGGESA-N 437.967 5.609 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C12CCCC2 2017305233 AKAJDJXISUKKAY-XMMPIXPASA-N 427.545 5.254 30 10 IKEE C=CCCCCCCC(=O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2026011619 DOWBGRMBUKHNMY-SANMLTNESA-N 429.601 5.926 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 2032044953 QFUQYFRQWWHSDA-RRQZXNHTSA-N 441.572 5.276 30 10 IKEE C[C@]1(Nc2cc(Br)c(C#N)cc2F)CCCN(C(=O)OCc2ccccc2)C1 2043970096 FXBYEJMMJKLWJU-NRFANRHFSA-N 446.320 5.063 30 10 IKEE C=C1C[C@@H]1C[C@@H](NC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071343357 CHYFPZVBKBFXNE-INNMJMHTSA-N 429.560 5.432 30 10 IKEE CC[C@@H](c1ccc(C)cc1C)n1nc(C(C)C)c(/C=N/O)c1I 2079023935 WPLDPGCTAHYYQF-UWSDUSPXSA-N 425.314 5.035 30 10 IKEE CC(C)(C)c1nn(-c2c(F)cccc2C(F)(F)F)c(C(F)(F)F)c1Br 2079141152 YOODVKSJDGDKIN-UHFFFAOYSA-N 433.165 6.109 30 10 IKEE CC(C)[C@@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)(F)F)c(C=NO)c1Cl 2079970730 WSFLPQAKBNWQGT-LBPRGKRZSA-N 431.739 5.767 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCCC)c2cccc(Br)c2Cl)C1 2136583653 LQHHQKLZDCDLDW-KRWDZBQOSA-N 443.813 5.757 30 10 IKEE CC1(C)CCC[C@@H]([C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)C1 2168592823 RJAXDHBRYDPKGI-OPAMFIHVSA-N 435.406 6.689 30 10 IKEE CC1(C)OB(c2cnc(Oc3c(Cl)cc(Cl)cc3Cl)c(Cl)c2)OC1(C)C 2172636630 ZOSIFVXJVHAOIH-UHFFFAOYSA-N 434.943 5.787 30 10 IKEE CC(C)(C)OC(=O)NCCC[C@@H]1CCCCN1c1cc(Br)cc(F)c1C#N 2174807993 IVMYBMBIHNVKQE-HNNXBMFYSA-N 440.357 5.124 30 10 IKEE CCCN[C@@H](C#CC(C)(C)C)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2218399675 FFFQGXTYFJZPOT-WNCULLNHSA-N 442.644 5.248 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)cc1Cl 2222741514 WIOTYCGPFMNRAK-IAGOWNOFSA-N 431.802 5.613 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)cc1Cl 2230371867 QUTNOHJWEJFMEN-MSOLQXFVSA-N 443.813 5.450 30 10 IKEE N#CCCCOc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C(=O)O)c1 2243589151 KVORXURAWWCAKD-UHFFFAOYSA-N 442.471 5.428 30 10 IKEE C#CCCCCCNC(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2243918771 LCMWEPHLWPGHOV-AREMUKBSSA-N 446.591 5.250 30 10 IKEE CC(C)(C)OC(=O)N1CCCC(C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)CCC1 2257001437 PREHMSCJTADPEY-UHFFFAOYSA-N 447.551 5.641 30 10 IKEE CC(C)(C)OC(=O)NC1C[C@@H]2CCC[C@H](C1)C2(C#N)Nc1ccccc1Br 2285864248 QFBQZIUDGOBVKF-MEWABEDBSA-N 434.378 5.227 30 10 IKEE COc1ccc(S(=O)(=O)N=C2C=C(Sc3ccc(C)cc3)C(=O)c3ccccc32)cc1 2293092034 QYZCSPNUINRXON-UHFFFAOYSA-N 449.553 5.054 30 10 IKEE C=C(COCc1ccccc1)[C@@](C)(OCCN)c1cc2cc(Br)ccc2o1 2293328793 JERBEROLKIZPJI-JOCHJYFZSA-N 430.342 5.159 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Cl)CCCCCNC(=O)OCc1ccccc1 2295219335 LYSHSQTWGUIVLF-HSZRJFAPSA-N 426.988 5.547 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)CCCN(CC)C(=O)OC(C)(C)C 2296265739 AIUNWPIDNYQVGO-HXUWFJFHSA-N 437.422 5.206 30 10 IKEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@](C)(CC(C)C)NC(=O)OC(C)(C)C 2296283448 GZNFWVZRRQIOTA-SIKLNZKXSA-N 437.422 5.108 30 10 IKEE Cc1cccc(NC(=S)NN=Cc2cn(-c3ccccc3F)nc2-c2cccs2)c1 2296407517 QZBCSNXFUHYPCG-UHFFFAOYSA-N 435.553 5.369 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(Br)cc1C(=O)C=Cc1cccs1 2296797038 HCSKTCACTQXBIU-UHFFFAOYSA-N 443.318 5.635 30 10 IKEE O=C(C=Cc1ccc(-c2ccc(Cl)cc2)o1)c1ccc2noc(-c3ccccc3)c2c1 2296878227 PSANPMQSSJDTER-UHFFFAOYSA-N 425.871 7.304 30 10 IKEE COc1ccc(-c2nc3cc(N=CC=Cc4ccc(Br)cc4)ccc3o2)cc1 2297096211 DNAKIAZHCDTYCD-UHFFFAOYSA-N 433.305 6.682 30 10 IKEE C#CCOC(=O)C=Cc1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1 2314019271 AWTDCRZKKBSJCJ-UHFFFAOYSA-N 440.120 5.525 30 10 IKEE COc1ccccc1C=C1Oc2cc(OCc3ccc(Br)cc3)ccc2C1=O 2314438036 FOJUZXIQOYWVPV-UHFFFAOYSA-N 437.289 5.653 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2CCc2ccccc2)cc1 2314479057 ZFRHPLRJKGWXTF-HHHXNRCGSA-N 437.539 5.470 30 10 IKEE Cc1nnc(N=C2SC(=CC(Cl)=Cc3ccccc3)C(=O)N2c2ccccc2)s1 2314547341 GPKSXRUIGUZCNT-UHFFFAOYSA-N 438.965 5.778 30 10 IKEE CC[C@@]1(C)N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2315231324 LNSQDKHBVPBNOO-DNQXCXABSA-N 447.551 5.639 30 10 IKEE C=CCC(CC=C)[C@@H](NCCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2316707211 YYDRLXZTOVQJMU-XMMPIXPASA-N 442.644 5.577 30 10 IKEE Cc1cccc(CSc2nnc(C)n2N=Cc2ccc(OCc3ccccc3C)cc2)c1 2321106703 JQUWPPLVLDPWBA-UHFFFAOYSA-N 442.588 5.957 30 10 IKEE C=C(C)COc1ccc2c(c1C)OC(=Cc1cc(Br)cc3c1OCOC3)C2=O 2321734196 WLMADFOXMSLIKC-UHFFFAOYSA-N 443.293 5.195 30 10 IKEE Cc1ccccc1COc1ccc2c(c1C)OC(=Cc1cccc(Br)c1)C2=O 2321742515 RQLBFLWKWJDAHH-UHFFFAOYSA-N 435.317 6.261 30 10 IKEE COc1cccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccc(Cl)cc2)C4)c1 2321957284 HXRZYSMLIPJSEH-UHFFFAOYSA-N 447.918 5.625 30 10 IKEE COc1cccc(C=C2Oc3c(ccc4c3CN([C@H]3CCCC[C@@H]3C)CO4)C2=O)c1OC 2322146009 MBXIWYLIWLHYQS-JXFKEZNVSA-N 435.520 5.051 30 10 IKEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1 2322687722 CXDQIYYWGRJNIF-UHFFFAOYSA-N 428.484 5.962 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2c(OCc3cccc(C)c3)ccc3ccccc23)cc1C 2322991784 ICMPJNVWUDWRHG-UHFFFAOYSA-N 436.551 7.249 30 10 IKEE O=C(C=Cc1cccc(OCc2ccc(Cl)cc2)c1)c1cccc(Br)c1 2323097898 HIESZGZCQGMEMR-UHFFFAOYSA-N 427.725 6.578 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1OCc1ccccc1C 2323149307 HWXAPNYEINSTOV-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4ccc(Cl)cc4[N+](=O)[O-])cc(C)c3C2=O)o1 2323283654 XFMFOFFJCUKDOM-UHFFFAOYSA-N 439.807 5.293 30 10 IKEE CCCCCOc1ccc(C=Nn2c(S)nnc2Cc2ccc(F)cc2)cc1OCC 2323544102 PGDULDXDEABSQR-UHFFFAOYSA-N 442.560 5.147 30 10 IKEE Cc1cc(OC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1ccco1)O2 2323710484 VJLIMEYEVWXVTL-UHFFFAOYSA-N 438.863 5.621 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1 2323879559 DPEXJKMMFCVANV-UHFFFAOYSA-N 440.326 6.215 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(OCC(=O)OCc4ccccc4)c3C)C2=O)cc1 2324233695 IBSIOZANFKKOJK-UHFFFAOYSA-N 444.483 5.132 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2cccs2)C3=O)cc1 2324451635 ICSPBFRCVGDJSC-OAHLLOKOSA-N 435.501 5.087 30 10 IKEE Cc1cc(OCCC(=O)OCCC(C)C)cc2c1C(=O)C(=Cc1ccccc1Cl)O2 2325103723 AIRSFVDEQHYUMU-UHFFFAOYSA-N 428.912 5.623 30 10 IKEE Cc1cc(OCc2cccc3ccccc23)cc2c1C(=O)C(=Cc1ccc(Cl)cc1)O2 2325272577 BOTVFQNQKCTCMZ-UHFFFAOYSA-N 426.899 6.997 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2C)C3=O)c(Cl)c1 2325299337 BCPDZRLHUFZBME-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE N#Cc1ccccc1COc1ccc2c(c1)OC(=Cc1ccc(Br)cc1)C2=O 2325351555 IHNUBQFTHPQHSO-UHFFFAOYSA-N 432.273 5.516 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2)cc1 2325718494 JCXIMCASXHHXJZ-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2cccc(Cl)c2)c1)c1cccc(Br)c1 2325721010 YXTMFSHZBGGJRX-UHFFFAOYSA-N 441.708 6.218 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(C)c(C)c3)c2)cc1 2325738929 XHAQFRYNUWBFLZ-UHFFFAOYSA-N 444.527 6.216 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2F)C3=O)c1 2325740631 RPWRYFGOSKXTIP-UHFFFAOYSA-N 431.463 5.385 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OC(=O)c1c(F)cccc1Cl 2325741513 YHQPJJHVJKUVTA-UHFFFAOYSA-N 442.845 6.051 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 2325743551 BVNSYISYTWVFFC-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1OC(=O)c1ccc(C)c(C)c1 2325746035 KXPDXJXQWHZEIY-UHFFFAOYSA-N 442.555 6.725 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3cc(Cl)ccc3Cl)c2)cc1C 2325760394 YTBXHYSAKALPTR-UHFFFAOYSA-N 439.338 6.654 30 10 IKEE CCCCCOc1ccccc1C=NNc1ncnc2c1[nH]c1cc(OC)c(OC)cc12 2328835899 REAUAKAROQDJFC-UHFFFAOYSA-N 433.512 5.143 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2ccncc2)cc1C 2329395366 RAKZIKWXYVWUCE-UHFFFAOYSA-N 427.577 5.364 30 10 IKEE O=[N+]([O-])c1cccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2)c1 2329837357 IBNVXGNANXWQTR-UHFFFAOYSA-N 447.495 5.091 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2ccccc2C)cc1 2329938746 MXFDYCWZURCBMP-UHFFFAOYSA-N 426.589 5.969 30 10 IKEE CCCOc1c(C=Nn2c(Cc3ccc(C)cc3)nnc2SCCC)cccc1OC 2330016018 DKSMIACCCHBJEO-UHFFFAOYSA-N 438.597 5.359 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccccc3C)nnc2-c2ccccc2)cc1 2330636254 OEEWOYNVEUHPSO-UHFFFAOYSA-N 428.561 5.827 30 10 IKEE CCSc1nnc([C@@H]2CCCO2)n1N=Cc1ccccc1OCc1ccccc1Cl 2330943822 MTPRBHGABSZEBQ-FQEVSTJZSA-N 442.972 5.356 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3)c(OCC)c2)cc1 2331307483 YFEPDHCPPLMVPI-UHFFFAOYSA-N 444.527 5.918 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(C(F)(F)F)cc1 2331386768 MEDICDHUHPHQCC-UHFFFAOYSA-N 436.478 5.908 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(CC(C)C)n2N=Cc2ccc(Cl)cc2)o1 2331451175 XLLGIYFDWZJREG-UHFFFAOYSA-N 446.960 5.074 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc3ccccc23)cc(Cl)c1OC(=O)C(C)(C)C 2331474573 UDAZRMFLUKNPKG-UHFFFAOYSA-N 436.935 6.740 30 10 IKEE Cc1cc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(F)c3)cc2)ccc1Cl 2331554840 BZRAXOJTDSYOAR-UHFFFAOYSA-N 442.845 5.807 30 10 IKEE CCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1N=Cc1ccc(C(C)(C)C)cc1 2331636766 YRGYNDMJBXISIQ-UHFFFAOYSA-N 449.624 5.450 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)cc2)cc1C 2331704650 POVGGUQNQLVGDE-JOCHJYFZSA-N 442.555 6.696 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)c(Cl)c2)cc1C 2331706362 HKHGAOSQUVEYGW-UHFFFAOYSA-N 448.990 6.975 30 10 IKEE Cc1ccc(CSc2nnc(C3CC3)n2N=Cc2cccc(Br)c2)cc1 2331717260 NSTKCVXZKUMMCR-UHFFFAOYSA-N 427.371 5.401 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2OC)ccc1OC(=O)C1CCCC1 2331882831 IDQMXJVGAAWFFS-UHFFFAOYSA-N 428.912 5.739 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C/c1ccc(Br)cc1)C2=O)c1ccccc1F 2393191 JHWMCDOEEBXIEY-RGVLZGJSSA-N 439.236 5.424 30 10 IKEE O=C(Oc1ccc(/C=N/c2ccc3oc(-c4ccccc4)nc3c2)cc1)c1ccc(F)cc1 3143871 OALXEKMRBZNENG-STBIYBPSSA-N 436.442 6.604 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2OC)cc1 20882722 MREUQDOKDRPJDT-WHLCRQNOSA-N 440.543 6.073 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2OC(C)C)cc1 21241888 NPVAWMYKFAOIMG-UGKGYDQZSA-N 433.548 5.267 30 10 IKEE CC(C)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)cc1 21245707 CDYNFAGUWGHIAT-PIIWDFAUSA-N 442.990 7.443 30 10 IKEE COc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(Cl)cc1 21248795 HZFPRRJNCFQJTQ-QUGAMOGWSA-N 430.935 6.328 30 10 IKEE CCCCOc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(OCC)cc1)C2 21253487 QRFGYEPVKGWHDT-KNQAVFIVSA-N 433.548 5.269 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C/c1c(F)cccc1Cl)C2=O)c1ccc(Cl)cc1 33663984 OVXVSIRWDWSKLO-SSDVNMTOSA-N 443.257 6.010 30 10 IKEE C=CCNC(=O)c1csc(-c2ccc(OCc3cccc(C(F)(F)F)c3)cc2F)n1 34713439 KBGMPKLAAVNADN-UHFFFAOYSA-N 436.430 5.463 30 10 IKEE CCOc1ccc2oc(C)c(C(=O)Oc3ccc(C(=O)/C=C/c4cccs4)cc3)c2c1 34954345 IGLLHTUWANCPRQ-VAWYXSNFSA-N 432.497 6.317 30 10 IKEE CC[C@H](C)Oc1c(/C=C2\S/C(=N/c3ccccc3)N(CCOC)C2=O)cccc1OC 38207740 LNIFIALKAWDNAG-LBDPKZAZSA-N 440.565 5.123 30 10 IKEE CCOC(=O)C[C@H](C1=C(O)CC(C)(C)CC1=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 38839414 KJYKFJAODMKXAD-HNNXBMFYSA-N 427.453 5.093 30 10 IKEE C=CCn1c(SCc2ccc(C(=O)Nc3nccs3)cc2)nnc1-c1cccs1 39850715 QBYLBPZQDLOLGV-UHFFFAOYSA-N 439.591 5.194 30 10 IKEE C=CCc1ccc(OCCn2c([C@H](C)NC(=O)C(CC)CC)nc3ccccc32)c(OC)c1 40189409 XHNDDEINPMORFC-IBGZPJMESA-N 449.595 5.466 30 10 IKEE C=CCc1ccc(OCCn2c(Cc3ccc(Cl)cc3)nc3ccccc32)c(OC)c1 40225967 CQNZWMHVNDVPQG-UHFFFAOYSA-N 432.951 6.097 30 10 IKEE CCCCCCCCCCCCCCCCCCOC(=O)C[C@@](O)(CC(=O)O)C(=O)O 60248715 REVZBRXEBPWDRA-DEOSSOPVSA-N 444.609 5.472 30 10 IKEE endogenous,in-man COc1ccccc1CO/N=C(\C)c1cc(-c2ccc(F)cc2)n(-c2ccc(C)cc2)c1C 97632272 WVUADNQOHKRPOS-TWKHWXDSSA-N 442.534 6.850 30 10 IKEE CCCCCCCN1C(=O)C[C@@H](C(=O)Nc2ccccc2)S/C1=N\c1ccc(F)cc1 100170744 ZLNLIYIECUBHAL-AQTDBHCXSA-N 441.572 5.756 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(-n2nc(C)cc2C)c1N 101532285 NZRNCNCUWJJFDT-UHFFFAOYSA-N 428.669 6.755 30 10 IKEE CCCCCCCCCCn1c(CNC(=O)COc2cc(C)ccc2C)nc2ccccc21 102126738 JCVAHHMSLSTSSB-UHFFFAOYSA-N 449.639 6.489 30 10 IKEE CO/C(=N/[C@@H](NC(=S)N(C)c1ccccc1)C(Cl)(Cl)Cl)c1ccc(C)cc1 102431529 GPXRQNCGLLFFLM-CSUZIONRSA-N 444.815 5.095 30 10 IKEE CC(C)(C)/N=C1/[C@@H](N2CCSCC2)C(C)(C)C(=S)N1c1cccc(C(F)(F)F)c1 105421733 VYVNJZHNYZKNOM-VFQICSBPSA-N 443.604 5.493 30 10 IKEE Cc1sc(N/N=C\c2ccc(OC(C)C)c(Br)c2)nc1-c1cccs1 169941858 RTICOSMGBIAIKZ-JMIUGGIZSA-N 436.400 6.176 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 169953281 KTFRWYMXYJQQCQ-XMMPIXPASA-N 426.516 5.098 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nc3ccccc3[nH]2)c1 169973164 YPEBVLMERUHFQO-QHCPKHFHSA-N 449.466 5.400 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2cccs2)ccc1F 169985823 NMFUGUOZFIBCFJ-IBGZPJMESA-N 427.884 5.632 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@H]2c2cccnc2)cc1C 170009361 PVMOGVVRYDKVLB-QFIPXVFZSA-N 432.907 5.443 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2cccnc2)cc1 170012599 KIUZTHTVFGYPEJ-XMMPIXPASA-N 426.516 5.039 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2ccc(F)cc2)c1 170060543 GVSGUOAEUIWUKA-QHCPKHFHSA-N 447.462 5.016 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccccc2F)c1 170070959 FFLOPQATAIOUAL-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(C)c(C)c2)[C@H]1c1ccccc1C 170087586 FLJVJINEAUVUEQ-RUZDIDTESA-N 441.527 5.399 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccccc2C)cc1 170089190 RGOQLAIFNQKQHH-HSZRJFAPSA-N 447.918 5.830 30 10 IKEE Cc1[nH]c2ccccc2c1[C@@H]1C(C(=O)CCc2ccccc2)=C(O)C(=O)N1Cc1ccco1 170104132 UQDRDPOYXULAKR-RUZDIDTESA-N 440.499 5.167 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2ccccc2)cc1 170113524 QJBGRAPBGCTQFY-VWLOTQADSA-N 435.479 5.631 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2ccccc2O)c1 170141377 DGTXBNVNPOCAAD-XMMPIXPASA-N 443.499 5.271 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1cccs1)c1cccc2ccccc12 170155390 FREOLOVYDRRTMP-JOCHJYFZSA-N 429.472 5.823 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccs2)ccc1OC(C)C 170162576 VNKGNOGUZWVJDJ-OAQYLSRUSA-N 437.517 5.215 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@@H]1c1ccc(F)cc1 170243130 DKTWCKXFBZPJCG-QHCPKHFHSA-N 439.527 5.726 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc(O)c1 170259956 MQVAICWYKIHVIN-RUZDIDTESA-N 435.479 5.637 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 170265905 LCDIQUMUIGDFJY-PXDATVDWSA-N 441.527 5.160 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccc2C)c(C)c1 170273004 FNVYHEUSQFOHLT-XMMPIXPASA-N 427.500 5.403 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccco1 170290153 VZNDDQVATQUDNW-QHCPKHFHSA-N 431.488 5.406 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccco2)cc1C 170296204 BOMXMKIUYBTNJY-HSZRJFAPSA-N 449.478 5.294 30 10 IKEE COc1cccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(OCC(C)C)cc2)c1 170430300 VABDRPCOPUQLOU-JOCHJYFZSA-N 437.536 5.245 30 10 IKEE CCCCCCCCCCCCc1ccc(C(=O)Cc2ccc(Br)cc2)cc1 205792893 YGQFSOKKENQPGA-UHFFFAOYSA-N 443.469 8.338 30 10 IKEE Cc1cc(C)c([N+](=O)[O-])cc1-c1ccc(C=Nc2c(-c3ccco3)nc3ccccn23)o1 252611964 IOULCBCYJNRBJR-UHFFFAOYSA-N 426.432 6.130 30 10 IKEE C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C/c1ccnn1C1CCCC1)C2=O 254349792 NDZYXAXWOZOQAQ-JXYIYFBCSA-N 434.624 5.884 30 10 IKEE CC(C)N=c1scc(-c2ccc(Cl)c(Cl)c2)n1N=Cc1ccc2c(c1)OCCO2 254478587 DBVJPTPXLXNGPQ-UHFFFAOYSA-N 448.375 5.486 30 10 IKEE CCOCCN1C(=O)/C(=C\c2ccc(N3CCCCC3)cc2C)SC1=Nc1ccccc1 263630157 JTKJPGWNQOYENL-YUPKMSNSSA-N 449.620 5.626 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3Cl)[C@@H]2c2cccs2)cc1 526490323 MAIDXRKVDQUGJA-IBGZPJMESA-N 427.312 5.984 30 10 IKEE COc1c(Cl)cc(/C=N\n2c(C)nnc2SCc2ccccc2)c(OC)c1Cl 526799137 GQRHPILQOKRZBS-YVNNLAQVSA-N 437.352 5.085 30 10 IKEE CCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1cccc(OC)c1OC 526806262 YDNUUTSVEAXLCE-MYYYXRDXSA-N 438.597 5.330 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1cccc(Cl)c1Cl 526817675 UTDAKLWZBYOCRI-AQHIEDMUSA-N 443.762 6.114 30 10 IKEE C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(C(=O)Nc2scc(C(C)(C)C)c2C#N)cc1 586636378 PAXANEGSDVFUCZ-FOIQADDNSA-N 438.597 5.870 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1ccc(Cl)c(F)c1 698452680 CIGFHKVMIOJBBN-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 698455567 DHDDANGBEFKFQF-DVECYGJZSA-N 435.609 5.628 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1ccc(F)c(C#N)c1 698482876 RWMXNFXYPNKAFD-SFHVURJKSA-N 430.277 5.466 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)c1 698483634 DIRAUPWNMIJMFW-VWLOTQADSA-N 444.531 6.281 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccc(Br)cc1C 698494707 UGWAOQXXITTXHY-SFHVURJKSA-N 431.330 5.773 30 10 IKEE COc1ccccc1N=Cc1c(OS(=O)(=O)c2ccc(C)cc2)ccc2ccccc12 1082753682 NXFDLBOQEXPKGQ-UHFFFAOYSA-N 431.513 5.675 30 10 IKEE C[C@@H](CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3C(=O)C=C4C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]12C)C(=O)O 1085210867 QOEPZHFZXUROGV-KOJJCTSKSA-N 430.629 5.632 30 10 IKEE Cc1cc(O)ccc1N/C(=N/Cc1ccccc1Cl)N1CCN(C2CCCCC2)CC1 1088652459 SGBOFXLXXQNQOC-UHFFFAOYSA-N 441.019 5.272 30 10 IKEE Cc1ccc(/C=N/N=C2\c3ccccc3C(=O)[C@H]2C(=O)C(c2ccccc2)c2ccccc2)o1 1614966922 FKVYXZYTHRLFEK-IVDHAFRWSA-N 446.506 5.625 30 10 IKEE Cc1nc(NCC(=O)NC(C)(C)c2cccc(C#N)c2)c2cc(-c3ccccc3)sc2n1 1645324848 FAJYQVLCLQSPHD-UHFFFAOYSA-N 441.560 5.002 30 10 IKEE COc1ccc2cc(Br)ccc2c1CC(=O)ON=C1C[C@H]2CC[C@@]1(C)C2(C)C 1772721815 CAWOTJUVXCOCEC-IQMFZBJNSA-N 444.369 5.899 30 10 IKEE Cc1ccc(-n2cc(/C=N\NC(=S)Nc3ccc(Cl)cc3)c(-c3ccccc3)n2)cc1 1857812160 WSXVDXPEKBAMHT-YSMPRRRNSA-N 445.979 5.822 30 10 IKEE CCCCCCCCCCn1cc(OCCCOc2ccc(C)cc2)c(=O)cc1C(=O)O 1857891581 XXRPIZQZYFLSCL-UHFFFAOYSA-N 443.584 5.844 30 10 IKEE N#Cc1ccc(NC(=O)c2nn(-c3ccccc3)c(-c3ccc(Cl)cc3)c2Cl)cc1 1859388237 XKMLLDPMNSIGBI-UHFFFAOYSA-N 433.298 5.970 30 10 IKEE CCCCCCCCCCNC(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O 1859577992 VNSMKHGZRNIDTB-UHFFFAOYSA-N 437.506 5.430 30 10 IKEE CCCCCCCCCNC(=O)[C@H](C)Oc1cc(C)cc2oc(=O)cc(CCCC)c12 1860273450 FJSDCMKCRHUBFF-FQEVSTJZSA-N 429.601 6.078 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(Cl)c2)cc1 1862391598 DSZVVOVYPWKDGK-HSZRJFAPSA-N 449.934 6.054 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccc(F)cc2)cc1C 1862402489 ZUBUTXDGVIOMRO-QHCPKHFHSA-N 449.453 5.060 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccccc1F)c1ccc(F)cc1F 1862411416 HPDOFWQJGQKKMT-NRFANRHFSA-N 441.380 5.022 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cccc2ccccc12)c1ccc(F)cc1F 1862420404 KFPKIEXEXKKPNM-HSZRJFAPSA-N 433.454 5.639 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCC(C)C)ccc1O 1862436729 AAXKANLXKKGVCF-OAQYLSRUSA-N 443.927 5.069 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccc3ccccc23)cc1 1862480656 LKFGGVUYFQBPLL-RUZDIDTESA-N 434.495 5.322 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2cccc(C)c2)cc1 1862490056 MWQBCIHAQOMNJI-RUZDIDTESA-N 425.528 5.699 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccc(Cl)c2)c1 1862490655 AKHBUGQJXJWCCI-OAQYLSRUSA-N 437.948 5.797 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2cccc([N+](=O)[O-])c2)c1 1862491774 BOKCNRHXLZXIRG-AMHTUMDSSA-N 448.519 5.369 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(Br)cc1 1862496292 GWMGMVPZXYXPJG-IBGZPJMESA-N 428.326 5.054 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2ccc(F)cc2F)cc1 1862516877 ZGPLNAMEYFGFGT-SZNDQCEHSA-N 429.463 5.130 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1ccc(CC)cc1 1862517215 ICZMOUYXPPDMBD-VWLOTQADSA-N 449.591 6.196 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccccc1F 1862524031 VYSYZIUFEBDFJK-LJQANCHMSA-N 446.316 5.357 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 1862532695 YFMHUIDNHKMJKW-XMMPIXPASA-N 433.592 6.315 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@@H]2c2ccccc2C)cc1 1862533315 LHUZKKMPSPSEOS-XMMPIXPASA-N 445.946 5.989 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccccc2F)cc1F 1862638387 ADIMOFZKYKVYEE-QFIPXVFZSA-N 441.474 5.275 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1c(Cl)cccc1Cl 1862716790 OFTCEBDMSQEBSO-NRFANRHFSA-N 440.326 6.135 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(F)c2)=C(c2ccc(Cl)cc2)C1=O 1863165484 IGJHXOHGMHMAPW-UHFFFAOYSA-N 428.935 6.032 30 10 IKEE CCCC[C@H](NC(=O)[C@@H](c1ccc(OC)cc1)C1CCCC1)C(=O)Nc1ccccc1C#N 1867011895 RNDPDFHQJYJNTO-LOSJGSFVSA-N 447.579 5.154 30 10 IKEE Cc1nc(Nc2ccccc2C#N)cc(N2CCC(Cc3ccc(C(C)(C)C)cc3)CC2)n1 1868490856 VKYDDZSSGWGNHA-UHFFFAOYSA-N 439.607 6.157 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3ccccc3[C@@H]2c2ccccc2OC)nc(CC)n1 1869126854 HBYWSLIEOOZVTI-MUUNZHRXSA-N 440.591 5.378 30 10 IKEE CCCCCCOc1ccc(-n2nnc(C#N)c2NC(=O)CCc2ccc(CC)cc2)cc1 1870150196 CFFLOWPQKIAJFD-UHFFFAOYSA-N 445.567 5.232 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)N[C@H](C)CC)c(=O)cc1CSCC 1870293674 DWDHVVPRYIIMQH-HXUWFJFHSA-N 438.678 5.536 30 10 IKEE C=CCn1cc(OCc2cccc(F)c2)c(=O)cc1CN(CCCC)CCCCCC 1870614255 DFJOEDUKSMZBAE-UHFFFAOYSA-N 428.592 5.935 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCCc2ccccc2)cn1Cc1cccc(C)c1 1870689303 YKQZZHZPAHKCHZ-UHFFFAOYSA-N 442.603 5.391 30 10 IKEE C=CCOc1cn(Cc2ccccn2)c(CNc2cc(C(C)C)cc(C(C)C)c2)cc1=O 1870811972 LKXAFLIVNZMLPC-UHFFFAOYSA-N 431.580 5.715 30 10 IKEE C=CCOc1cn(Cc2ccc(OC)cc2)c(CNc2cc(Cl)cc(Cl)c2)cc1=O 1870813406 JVEHYPOTUGUEAP-UHFFFAOYSA-N 445.346 5.389 30 10 IKEE C=CCn1cc(OCc2ccc(C(C)C)cc2)c(=O)cc1CNc1cc(Cl)ccc1C 1870896984 BKNPAPQIFHMCEF-UHFFFAOYSA-N 436.983 6.311 30 10 IKEE C=CCn1cc(OCCc2ccc(OC)cc2)c(=O)cc1CNc1ccc(F)c(Cl)c1 1871051455 OPQZXWNKDVLWHW-UHFFFAOYSA-N 442.918 5.069 30 10 IKEE C=CCn1cc(OCCCOc2cccc(C)c2)c(=O)cc1CNc1ccc(F)c(F)c1 1871219270 CVQYOEDRJPGXQT-UHFFFAOYSA-N 440.490 5.081 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc4c3CN([C@@H](C)c3ccc(OC)cc3)CO4)C2=O)cc1 1871354187 JMXSGSGVXFIZKH-MQKZQLNTSA-N 443.499 5.233 30 10 IKEE Cc1c(OC(=O)COc2ccccc2)ccc2c1O/C(=C\c1cn(C)c3ccccc13)C2=O 1871364523 PQUNNWIREXYPTR-OYKKKHCWSA-N 439.467 5.087 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1cc(C)c2c(c1)O/C(=C\c1ccncc1)C2=O 1871371042 HZSTYPOFSDGBDQ-HAHDFKILSA-N 429.472 5.079 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(Cl)cc4[N+](=O)[O-])ccc3C2=O)cc1 1871373573 NBDZQYVKKSGSJH-FBHDLOMBSA-N 435.819 5.392 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(OC)cc2)C3=O)cc1 1871386859 QXQQILWDCHXAQR-HAHDFKILSA-N 430.456 5.238 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OCCCCOc4ccccc4)c3C)C2=O)cc1 1871403421 KXDDPGXHVSOLML-XHPQRKPJSA-N 428.528 6.412 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCCOc4cccc5ccccc45)cc(C)c3C2=O)c1 1871415711 PONVKRBWWLHMJC-PKAZHMFMSA-N 436.507 6.531 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O 1871433229 KXNOIQYACVCCGG-XUVWKZFSSA-N 442.939 6.237 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc(O[C@@H](C)C(=O)Nc3ccc(C#N)cc3)c2C)C1=O 1871435802 CLIBUCRADQZFJN-IXGURIBZSA-N 444.512 5.259 30 10 IKEE N#Cc1ccccc1COc1ccc2c(=O)c(Oc3ccccc3Br)coc2c1 1871436983 UYCNNXXFHOXJKC-UHFFFAOYSA-N 448.272 5.798 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCCc4ccc(C)cc4)cc(C)c3C2=O)c1OC 1871437528 FWLUOGVWFSNYED-IWIPYMOSSA-N 430.500 5.558 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4C)ccc3C2=O)cc1 1871453862 VMPATEZEQQYSPC-OYKKKHCWSA-N 429.472 5.027 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2sccc2C)C3=O)cc1Cl 1871456565 LPLTVHFMSCSZOH-JAIQZWGSSA-N 439.920 5.652 30 10 IKEE COc1ccccc1-c1csc([C@@H](C#N)C(=O)COc2cc(C)c(Cl)c(C)c2)n1 1872763632 QQRDQFZZNPOBKK-KRWDZBQOSA-N 426.925 5.344 30 10 IKEE C[C@H](c1ccccc1)N1C[C@@H](C(=O)[C@H](C#N)c2nc(-c3ccccc3Cl)cs2)CC1=O 1872764236 IFDFNWHYPOGGGP-AYBZRNKSSA-N 449.963 5.249 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(OC)c(OC)c3)n2)cc1C 1872764971 CQUGBHWEGHQHKI-KRZKXXONSA-N 434.517 5.034 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(F)c3)n2)cc1OCCC 1872766717 JXTFETONNNNYTD-LJQANCHMSA-N 438.524 6.017 30 10 IKEE COc1cc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3C)cs2)cc(OC)c1OC 1872769817 YLMIRRAXIVNLSK-XSBJJCPUSA-N 448.544 5.342 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H](C)CC)=C(c2ccccc2Br)C1=O 1873068932 DNHLKHBEDKPEHW-MRXNPFEDSA-N 435.406 5.278 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccccn2)=C(c2c(C)cc(C)cc2C)C1=O 1873116131 ZKOKBRBQCIVGFL-UHFFFAOYSA-N 433.596 5.237 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(OC)cc2)=C(c2ccccc2)C1=O 1873413362 YUIWKBUZFBYORA-UHFFFAOYSA-N 434.580 6.028 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(N(CC)CC)cc1C)n2CCCC 1873613037 UKVBBEJNMGWCDR-UHFFFAOYSA-N 434.588 5.236 30 10 IKEE C=CCn1c(C(=O)Nc2cc(C(C)C)cc(C(C)C)c2)cc2c(N(CC)CC)ncnc21 1873670665 JLICJCZHZCNBNU-UHFFFAOYSA-N 433.600 5.963 30 10 IKEE C=C(C)CSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1ccccc1OC 1874246008 IEHWQKAAOARMAY-PCLIKHOPSA-N 436.581 5.157 30 10 IKEE CCCc1ccc(OCc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccc[nH]2)cc1 1874257246 QJHULANYPVKPMI-JFLMPSFJSA-N 449.555 5.451 30 10 IKEE CCCOc1ccc(/C=N/n2c(Cc3cccc4ccccc34)nnc2SCC)cc1 1874269821 PVBUXIFJMHADAM-NLRVBDNBSA-N 430.577 5.805 30 10 IKEE CCCCC1CCC(c2nnc(SCCCO)n2/N=C/c2ccccc2[N+](=O)[O-])CC1 1874286368 CBTHNEGZPIEKKT-XQNSMLJCSA-N 445.589 5.007 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccc(C)c(C)c3)n2/N=C/c2ccncc2)cc1 1874318856 MDIIYHQXQHOMPO-JFLMPSFJSA-N 443.576 5.352 30 10 IKEE C=C(C)CSc1nnc(CCOc2ccccc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874345562 VHQZMOPEPZGKRB-VULFUBBASA-N 446.498 5.469 30 10 IKEE Cc1ccc(CSc2nnc(CCOc3ccccc3)n2/N=C/c2cccs2)cc1 1874345936 OBUHITBYSGAENE-LFVJCYFKSA-N 434.590 5.444 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2ccc(C)cc2)cc1 1874348761 BVYMAHAJNPYOEX-WPWMEQJKSA-N 442.588 5.669 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccccc1 1874378992 VYGGHSORVGWJNG-CVKSISIWSA-N 436.943 5.836 30 10 IKEE C=C(C)CSc1nnc(Cc2cccs2)n1/N=C/c1cccc(Br)c1 1874412104 CDMUCLDWISSQQU-RGVLZGJSSA-N 433.400 5.243 30 10 IKEE Cc1ccccc1CSc1nnc(C2CCCC2)n1/N=C/c1ccc(Cl)cc1Cl 1874452205 JJSONRVUTVFGJD-DHRITJCHSA-N 445.419 6.725 30 10 IKEE O=[N+]([O-])c1cccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CCCC2)c1 1874456411 QENBXJBVHWWOIB-YDZHTSKRSA-N 441.944 5.672 30 10 IKEE Cn1cc(/C=N/n2c(SCCc3ccccc3)nnc2C(F)(F)F)c2ccccc21 1874461222 CFSIDMRYAYTENL-DHRITJCHSA-N 429.471 5.006 30 10 IKEE CCCCc1nnc(SCc2ccccc2C)n1/N=C/c1ccc(Br)cc1 1874476055 BFJMCMNSVSNOOC-OEAKJJBVSA-N 443.414 5.866 30 10 IKEE CC(C)COC(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1c(Cl)cccc1Cl 1874485861 PVKUBGJQCGZXMP-LSFURLLWSA-N 443.400 5.056 30 10 IKEE Cc1cccc(CSc2nnc(C3CCC3)n2/N=C/c2ccc(Br)cc2)c1 1874493770 DANQOJKZWYUXMO-YDZHTSKRSA-N 441.398 5.791 30 10 IKEE COc1ccccc1C(=O)/C=C/c1c(OCc2c(F)cccc2Cl)ccc2ccccc12 1874576923 NKXHPMDEJJKRGX-CCEZHUSRSA-N 446.905 7.116 30 10 IKEE Cc1ccc(C)c(COc2ccc(Cl)cc2/C=C/C(=O)c2c(C)c(C)cc(C)c2C)c1 1874586789 FIKOAUMQCZDDQP-PKNBQFBNSA-N 432.991 7.666 30 10 IKEE COc1cc(C(=O)/C=C/c2ccccc2OCc2ccccc2Cl)c(OC)cc1Cl 1874587352 ISLGTDUXCVXTRV-VAWYXSNFSA-N 443.326 6.486 30 10 IKEE COc1cccc(/C=C/C(=O)c2c(C)cc(C)cc2C)c1OCc1ccc([N+](=O)[O-])cc1 1874589727 ABTHFOGZXOLGSH-JLHYYAGUSA-N 431.488 6.004 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1ccccc1F)c1cc(Cl)ccc1Cl 1874591367 GYEHQHPZUKDISB-WEVVVXLNSA-N 435.709 7.261 30 10 IKEE COC(=O)c1ccc(COc2cc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)ccc2OC)o1 1874599445 NESYJFMWKCEGBH-JXMROGBWSA-N 448.515 5.784 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OCC(=O)Nc1ccc(C)cc1C 1874614161 ICKNRNHLUPSULI-ACCUITESSA-N 445.515 5.234 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1cccc(F)c1 1874616316 SSBPRUFEOVOOTG-WEVVVXLNSA-N 431.290 6.616 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2Cl)o1 1874631471 DMKSZCBDFLWYKY-UXBLZVDNSA-N 438.907 6.202 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)c2)cc1 1874702157 UABNAVVBIWBUQV-DHZHZOJOSA-N 446.415 5.235 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2cccc(OC(=O)Cc3cccs3)c2)cc1Cl 1874715925 SLKFEPLEWPBXSX-BQYQJAHWSA-N 447.339 6.108 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(F)c(F)c2)CSc2nnc(CCC)n21 1874862295 NNPHKWAVZRQUIH-LJQANCHMSA-N 436.572 5.571 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1cccc(C)c1 1875082842 PKGMDZNIDLLOKE-GZTJUZNOSA-N 448.518 6.786 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)C3CCCC3)c(OC)c2)cc1OC 1875098474 BSWKWQXKALSTHD-CSKARUKUSA-N 444.911 5.358 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3ccccc3F)c(OC)c2)cc1 1875099806 AALLLNNMYWNGAO-SDNWHVSQSA-N 434.463 5.521 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3cc(Cl)ccc3Cl)cc2)c1 1875102259 DDGQWKLDYCHMRO-KPKJPENVSA-N 427.283 6.117 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)ccc1OC(=O)[C@H](C)c1ccccc1 1875109476 PIUSKZWOQLRMMD-RDPWEWGOSA-N 444.527 6.008 30 10 IKEE C[C@H](C(=O)Oc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-])c1ccccc1 1875124424 KIOZHPAEXKJFEB-TYZQSYOASA-N 435.863 5.853 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc(Cl)c2)c(Br)c1)c1ccccc1 1875127957 HDPXAUBUWHZLLF-PKNBQFBNSA-N 441.708 6.218 30 10 IKEE CCOc1cccc(C(=O)Oc2c(OC)cc(/C=C/C(=O)c3ccc(C)cc3)cc2OC)c1 1875133270 MSCSCPDYXGKSEK-SDNWHVSQSA-N 446.499 5.526 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)COCc1ccccc1 1875137045 SSOSCNIXEAVBMP-RVDMUPIBSA-N 430.500 5.412 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)c1cncc(C)c1 1875140955 GUSKBCKDDQVCHX-QPJJXVBHSA-N 439.870 5.615 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(Br)c1OC(C)=O 1875149472 RQTHCIVRZBTYFH-IZZDOVSWSA-N 431.326 5.577 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc(OC)c1OC(=O)CC(C)(C)C 1875153652 RGRBAMKUVNWXPK-PKNBQFBNSA-N 440.511 5.809 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)c3ccccc3)c(OC)c2)cc1F 1875153689 SSJUZONGVYYCSR-XLNAKTSKSA-N 434.463 5.448 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc([N+](=O)[O-])c1OC(=O)c1ccccn1 1875174924 PTASMMYVQQNVEQ-PKNBQFBNSA-N 446.459 5.121 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)c1ccccc1C 1875176348 DNUWGOFFMLHFKH-FYWRMAATSA-N 440.539 6.464 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc(Cl)c1OC(=O)C1CC1 1875180994 IUASBGUGHYECCF-VMPITWQZSA-N 449.330 5.921 30 10 IKEE C=CCCOc1cccc([Sn](CCCC)(CCCC)CCCC)n1 1885043652 FCBJFTRECGKPAU-UHFFFAOYSA-N 438.244 6.093 30 10 IKEE N#Cc1cccnc1OCC1CCN(C(=O)[C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 1891449540 SBHKVHZLCVBODO-DEOSSOPVSA-N 445.950 5.056 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCOC[C@H]1C(F)(F)F 1916555609 VAJNBDCLCCJFOC-RHSMWYFYSA-N 449.267 5.052 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)NCCC 1922059378 GLNNLXRBFDCKJM-JWQCQUIFSA-N 438.612 5.784 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@@H](CNC(=O)OC(C)(C)C)C1CCCC1)NCCC 1922079107 CAVSQCBCHHJSKF-DQEYMECFSA-N 444.660 5.849 30 10 IKEE C=C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(C)(C)C)C(F)(F)C(=O)O 1927481281 FKCQQEHKGWPFQX-QHCPKHFHSA-N 429.463 5.216 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(Br)ccc1Br 1935890673 JLNIZXRHBQFQKC-OAHLLOKOSA-N 446.183 5.669 30 10 IKEE CCC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1938168503 QXSJFTSIIRDLMM-WMZOPIPTSA-N 437.606 5.318 30 10 IKEE CC[C@@H](NC(=O)OC(C)(C)C)[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1OC 1941062327 UHRCCABGXFPBEP-WZONZLPQSA-N 433.549 5.022 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCC[C@@H]2NC(=O)OC(C)(C)C)cc1 1943909023 BIJPLHZGBMLYSY-YADARESESA-N 429.561 5.466 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1944588349 LCNQOCOVDRMWBE-WAIKUNEKSA-N 449.979 5.669 30 10 IKEE N#Cc1ccc([C@H](CCNC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)O)cc1 1951949965 SONBBJDDGXJANL-HXUWFJFHSA-N 440.499 5.045 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@H](C#N)[C@]1(C)CCCN1C(=O)OC(C)(C)C 2020804996 VYFLJGNISRVXGN-CYFREDJKSA-N 435.609 5.628 30 10 IKEE C=CCCCCCCCC[C@H](CCN(Cc1ccccc1)C(=O)OC(C)(C)C)NCC 2026309240 CHJIIAWXLVKRTQ-RUZDIDTESA-N 430.677 7.099 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2C[C@](C#N)(N(C(=O)OC(C)(C)C)c3ccccc3)CC[C@H]21 2027458204 QGADLUYGCKFNQY-RQBNJVACSA-N 441.572 5.500 30 10 IKEE O=C(C=Cc1ccc(-c2ccc(Cl)cc2)o1)c1ccc2c(c1)Nc1ccccc1S2 2040456691 DSJYWMYLPQTSSY-UHFFFAOYSA-N 429.928 7.704 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C3CCCC3)C[C@@H]21 2048096834 WTNSDDSJCUFFMC-KNOQFWTLSA-N 447.620 5.628 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)cn1 2050055801 YJGJNSRJPIQDQZ-GOSISDBHSA-N 442.491 5.574 30 10 IKEE CCN[C@]1(C#N)C[C@@H](CC)C[C@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)C1 2055024854 BDIMGQIMPMCLKS-SAAIGDAKSA-N 432.656 5.071 30 10 IKEE Cc1cc(C)c([C@H](C2CC2)n2nc(C(C)C)c(C#N)c2I)cc1C 2079138999 OFSCRRSKUGPXPZ-IBGZPJMESA-N 433.337 5.407 30 10 IKEE CCOc1ccc(C(F)(F)F)cc1-n1nc(C2CCCCC2)c(C#N)c1Br 2080311511 NWBIHSGOYZSIOB-UHFFFAOYSA-N 442.279 5.972 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@H](C#N)c1cc(O)ccc1Br 2088245151 DPQVCTZFBYVCRA-QGZVFWFLSA-N 437.721 5.814 30 10 IKEE O[C@H](CC#CC1CCCCC1)c1cc(I)ccc1Br 2093457359 LITAEODSKXKABX-MRXNPFEDSA-N 433.127 5.061 30 10 IKEE C#CC(C)(C)C[C@@H](NCCC)c1cc(Br)ccc1I 2111304624 PUMCVDHMOGANTE-OAHLLOKOSA-N 434.159 5.144 30 10 IKEE CCCCC#CC[C@H](NCC)c1ccc(I)c(Br)c1 2138986619 XBAMREMNWMHHLO-INIZCTEOSA-N 434.159 5.288 30 10 IKEE CCCCC#CCC(=O)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2139019980 VKXVRHSKCVHYJG-GDLZYMKVSA-N 442.555 6.031 30 10 IKEE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@@H](CNc2ccc(Br)cc2C#N)CC1 2178648911 XSKJHALHKFEVKL-LDTOLXSISA-N 440.357 5.156 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCC)c2ccc(Br)c(F)c2F)C1 2183007671 FXWQRLAOYLDXME-QGZVFWFLSA-N 445.348 5.239 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCC2(CC2)N(C(=O)OC(C)(C)C)C1 2220216256 SFMFWAGDGCJMJR-RUZDIDTESA-N 441.572 5.562 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)C(C)(C)CN(C)C(=O)OC(C)(C)C 2235730221 VCLIFTNYSLNZMO-IBGZPJMESA-N 437.422 5.062 30 10 IKEE C=C([C@@H](NCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)C(C)(C)C 2237422767 APIUYYHBUGNIOY-RBUKOAKNSA-N 439.438 5.465 30 10 IKEE C#CC[C@@H](C)CN(C)C(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2243926444 JKMMRAKXFFEAJB-FQRUVTKNSA-N 446.591 5.058 30 10 IKEE Cc1cc(C(=O)N(Cc2ccccc2)[C@@H](C)C(C)C)sc1B1OC(C)(C)C(C)(C)O1 2247930479 UGSDGOZPEAACII-SFHVURJKSA-N 427.419 5.043 30 10 IKEE CCCN[C@H](C#CC1CCCC1)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2251412692 ZKDMIRZQBQTNFD-TUACAJSNSA-N 428.617 5.047 30 10 IKEE C=CCCC1([C@@H](O)c2c(Cl)ccc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2266314644 GJIAYYRPDUWNRJ-INIZCTEOSA-N 448.760 5.478 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Br)cc([C@H](N)C#Cc2ccccc2Cl)c1 2277844332 HCODKCPGYFNBQG-GOSISDBHSA-N 435.749 5.501 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](Nc2ccc(Br)cc2C#N)C[C@@H]2CCCC[C@@H]21 2279549570 IWAMGRZDBUYFGX-YJLNNSPDSA-N 434.378 5.301 30 10 IKEE CCCCN1C(=O)C(=C2Sc3ccccc3N2C)SC1=Nc1ccc(OCC)cc1 2295123250 VHOWKWWTWXMHIJ-UHFFFAOYSA-N 439.606 5.860 30 10 IKEE CCN1C(=O)C(=C2Sc3ccc(OC)cc3N2C)SC1=N[C@H](C)c1ccccc1 2295203844 MADKRYSQLQJOKH-CQSZACIVSA-N 425.579 5.119 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3cc(OC(=O)c4ccc5c(c4)OCO5)ccc3C2=O)cc1 2296871065 GYLYNPFQYSJXBG-UHFFFAOYSA-N 442.467 5.548 30 10 IKEE SC[C@@H](CSc1cc(I)ccc1Br)CC1CC1 2300805359 NFNHWZPDJVCHCX-JTQLQIEISA-N 443.213 5.492 30 10 IKEE SCCCCCCOCc1cc(I)ccc1Br 2302775870 BLJKRDBCOMZRMH-UHFFFAOYSA-N 429.161 5.061 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCC2)[C@H]1C(F)(F)F 2303930736 MMEBABSCUATVEV-YWZLYKJASA-N 447.498 5.000 30 10 IKEE O=C(C=Cc1ccccc1OC(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 2314429500 IPFJIDDXGGIGBU-UHFFFAOYSA-N 441.708 6.218 30 10 IKEE COc1c(Cl)cc(C=Nn2cnnc2SCc2ccccc2Cl)cc1Cl 2318571224 FUOIXNUSDRIZRH-UHFFFAOYSA-N 427.744 5.421 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@H](C#N)C12CC(CCN1C(=O)OC(C)(C)C)C2 2318782144 MEEOTFLTSSWXJP-PSWPWZSKSA-N 447.620 5.628 30 10 IKEE CCOc1cc(C=Nn2c(S)nnc2C(C)(C)C)ccc1OCc1ccc(Cl)cc1 2321908587 NBBRIVVWFZMIFX-UHFFFAOYSA-N 444.988 5.378 30 10 IKEE CCCOC(=O)COc1ccccc1C=CC(=O)c1ccc(OCCC)c(OCCC)c1 2322502405 YLNCZMHIWWQNBZ-UHFFFAOYSA-N 440.536 5.492 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(F)cc2)c1OCc1ccc(Cl)c(Cl)c1 2322748738 DWEMYLYJQLNCLY-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1 2322856659 WNZOMEACSKRKDE-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Br)ccc2OCc2ccccc2F)cc1C 2322884776 SHELNJGGFGJHBY-UHFFFAOYSA-N 439.324 6.680 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1OCC(=O)Nc1ccc(C)cc1C 2323126257 LYHRPNQJKVQMLF-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE Cc1c(OC(=O)c2ccc(F)c(F)c2F)ccc2c1OC(=Cc1ccc(Cl)cc1)C2=O 2323127317 PMMYREPEINESOH-UHFFFAOYSA-N 444.792 5.901 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OCC(=O)Nc1ccc(C)c(C)c1 2323138568 MAVAJOSAYFNTRB-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OCC(=O)Nc3cccc(C)c3C)c2)c1 2323178205 WRHCKISARBOJMK-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3ccc(C)cc3)c2)cc1F 2323201985 PDBAAKNJCTWIKJ-UHFFFAOYSA-N 449.478 5.065 30 10 IKEE Cc1ccc(C=CC(=O)N2CCC[C@@H](C(=O)Nc3scc(C(C)(C)C)c3C#N)C2)cc1 2323602807 GVMDSXBLGICACZ-LJQANCHMSA-N 435.593 5.116 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OCC(=O)Nc2cc(C)cc(C)c2)c(Cl)c1 2323701347 FWTOMECPFUPIGD-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1Cl 2323800853 YFEJSQNKXQGJPY-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(OC)c2)C3=O)cc1 2323823883 VVWRHZBBYYXVOB-UHFFFAOYSA-N 430.456 5.319 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(C)c2)C3=O)c1 2323839537 ZITBVRGYQBKVSY-UHFFFAOYSA-N 428.484 5.928 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 2324055341 XHHYSQKSNAZXBW-UHFFFAOYSA-N 427.544 6.206 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1F 2324110090 XYYBCQFIVFRYKK-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCCCOc3ccccc3)cc(C)c2C1=O 2324241263 IABWTQMJSBSIPO-UHFFFAOYSA-N 430.500 5.858 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccco3)n2)cc1OCCC 2324474445 ZFFHUXADCSSDKY-IBGZPJMESA-N 436.533 5.870 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2cccc(OC)c2)C3=O)cc1 2324475301 TZVLMLOVUBIPHA-QGZVFWFLSA-N 443.499 5.280 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccccc2C)C3=O)c(C)c1 2324495322 YTACEFFANOTUBA-HXUWFJFHSA-N 441.527 5.942 30 10 IKEE Cc1c(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2)ccc2c1OC(=Cc1ccncc1)C2=O 2324611446 RCPZCHAUCMBFTK-HNNXBMFYSA-N 434.879 5.066 30 10 IKEE Cc1cc(OCC(=O)N[C@H](C)c2ccccc2)cc2c1C(=O)C(=Cc1ccc(F)cc1)O2 2325019780 OCCSOWLVJMKWIT-QGZVFWFLSA-N 431.463 5.007 30 10 IKEE Cc1cc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc2c1C(=O)C(=Cc1ccco1)O2 2325708003 UVOWNPGGXKZNBL-UHFFFAOYSA-N 444.270 5.529 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1 2325714955 GZALJZZQNAFVGL-UHFFFAOYSA-N 427.500 5.752 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cc4ccccc4n3C)c2)cc1 2325739609 COQNHIITFBUNDD-UHFFFAOYSA-N 439.511 6.082 30 10 IKEE COc1ccc(C=CC(=O)c2cccc3ccccc23)cc1OC(=O)CCc1ccccc1 2325749311 MYYSFPARBPWIMQ-UHFFFAOYSA-N 436.507 6.283 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2cccc(OC(=O)c3ccc(C)cc3)c2)c1 2325758196 KYVHGGYJDNDPHU-UHFFFAOYSA-N 430.500 5.908 30 10 IKEE CCOc1cc(C=Nn2c(C)nnc2SCc2ccccc2Cl)ccc1OC(C)C 2326541026 YKDLPVCFFUEJGL-UHFFFAOYSA-N 444.988 5.600 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1cccc(OCC)c1 2326541041 BSTOALXVOHVQTN-UHFFFAOYSA-N 442.972 5.378 30 10 IKEE CCCCOc1cccc(C=Nn2c(CCC)nnc2SCc2cccc(F)c2)c1 2326733834 YELHSFHLFZUAQS-UHFFFAOYSA-N 426.561 5.723 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2ccccc2)cc1C 2328791881 IOSWCEOTRVLAKH-UHFFFAOYSA-N 428.561 5.648 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccccc3C)nnc2-c2cccs2)c1O 2330539174 JRCZPWXWGFTUOC-UHFFFAOYSA-N 436.562 5.204 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)cc3)c(OC)c2)cc1C 2330880238 ZUZKAXQQXGLLET-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE Fc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2[C@H]2CCCO2)cc1 2331008947 FQYBLWPTGGKDQF-GOSISDBHSA-N 434.899 5.236 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 2331049610 UZRUGBARHCJVCQ-UHFFFAOYSA-N 439.508 6.156 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(C3CCCC3)n2N=Cc2cccc(Cl)c2)cc1 2331051269 OYGVKPRPNUHYFB-UHFFFAOYSA-N 441.944 5.672 30 10 IKEE Cc1ccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CCCC2)cc1 2331093130 WFSPQXDUAGMHOC-UHFFFAOYSA-N 445.419 6.725 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2ccccc2C)c(C)c1 2331101125 JCWLBELJBZEECF-UHFFFAOYSA-N 447.608 5.474 30 10 IKEE Fc1ccccc1C=Nn1c(SCc2c(F)cccc2Cl)nnc1C1CCCC1 2331104363 URAUHHYLDJTCMO-UHFFFAOYSA-N 432.927 6.042 30 10 IKEE CCSc1nnc(-c2ccco2)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2331196852 ACFYWDMFDOTKKR-UHFFFAOYSA-N 438.940 5.765 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)C3CCC3)c(OCC)c2)cc1 2331201521 GHDLIDSJNWRCJV-UHFFFAOYSA-N 428.912 5.739 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC(=O)Cc1ccc(F)cc1 2331376530 NYZRGLUDTNQQTB-UHFFFAOYSA-N 434.463 5.196 30 10 IKEE C=CCSc1nnc(C(C)(C)C)n1N=Cc1ccc(OCCCCCC)c(OC)c1 2331399957 UQCSCLGLIYUBJO-UHFFFAOYSA-N 430.618 5.704 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3)c(Cl)c2)cc1 2331416146 RBRVUHSNLQNTIA-UHFFFAOYSA-N 446.974 7.072 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)C(C)(C)C 2331500085 YZRHEIFTWMDNOE-UHFFFAOYSA-N 428.956 6.710 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CCC2)cc1 2331539733 QVUUNVMNDHJWAD-UHFFFAOYSA-N 426.973 5.772 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OC(=O)Cc1cc(C)ccc1C 2331569533 ONJHBPSKXZZWAX-UHFFFAOYSA-N 436.454 5.634 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2cccc(F)c2)cc1 2331635318 JXLDTXCELSOTFO-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE CC1(C)OB(c2ccc(NCc3ccc(OCc4ccccc4)cc3)c(C#N)c2)OC1(C)C 2364757579 JGZXXXWWIKMHQB-UHFFFAOYSA-N 440.352 5.049 30 10 IKEE CC1(C)OB(c2ccc(Nc3ccc(Cl)c(Br)c3)c(C#N)c2)OC1(C)C 2364924071 TWPNGDWYLZEXLE-UHFFFAOYSA-N 433.542 5.017 30 10 IKEE C[C@@H]1CCc2c(sc(NC(=O)COc3ccc(C(C)(C)c4ccccc4)cc3)c2C#N)C1 1959866 MFPIJSJXJRONJN-GOSISDBHSA-N 444.600 6.088 30 10 IKEE C=CCN(CC=C)C(=O)CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1C 4145675 DRXHMOFNYGQIDQ-UHFFFAOYSA-N 438.984 5.189 30 10 IKEE Cc1ccc(/N=C2/S/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(C)cc2)cc1 14359988 LVRAFANJAQSBKR-HLTANSAUSA-N 429.501 6.020 30 10 IKEE COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cc(F)ccc1F 20883603 GWKGQVCTOONWKY-HAWMADMCSA-N 432.470 5.953 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2O)cc1 21220743 XQARIYLCGPVYMY-GDJIYFAZSA-N 440.543 6.161 30 10 IKEE Cc1cc(C)cc(N/C(=N\C(=O)c2cccc(Cl)c2)N2CCN(c3ccccc3)CC2)c1 32946180 XFXXSWPJCWOLTP-UHFFFAOYSA-N 446.982 5.387 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3)cc2/C=N\NC(=S)Nc2ccc(F)cc2)cc1 35263382 YYSNQYSUBGAVBC-YSMPRRRNSA-N 445.523 5.008 30 10 IKEE C=CCC[C@@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1 36303920 GUMQQLNKLVTDPC-HSZRJFAPSA-N 449.595 5.521 30 10 IKEE Cc1cccc(/N=C2/S/C(=C\c3cn(C)c4ccccc34)C(=O)N2C2CCCCC2)n1 39863639 FTQTYXZDICXDRX-YEVPVSBLSA-N 430.577 5.818 30 10 IKEE C=CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccc(C)cc2)cc1 39879449 XRVZUXWYASMMFB-RUZDIDTESA-N 437.495 5.724 30 10 IKEE COc1ccc(CN2COc3c(cc4c(c3C)O/C(=C\c3ccccc3F)C4=O)C2)cc1 41586930 BGIZNWOUJFSGPG-FMCGGJTJSA-N 431.463 5.111 30 10 IKEE O=C1N/C(=N/c2ccccc2Cl)S/C1=C/c1ccc(-c2ccccc2C(F)(F)F)o1 59220150 XVXLXYOEKJDEGR-WOJGMQOQSA-N 448.853 6.510 30 10 IKEE C=CCCC(=O)Nc1ccc2nc(SCC(=O)Nc3c(C)cccc3C)sc2c1 59721127 NGPBCMDMPOWDSD-UHFFFAOYSA-N 425.579 5.549 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OCc4ccc(F)cc4)cc(C)c3C2=O)cc1 62942289 ZORUBDRIPDSYBX-MYYYXRDXSA-N 431.507 6.176 30 10 IKEE CCCCCCCOc1ccc(NCCNc2ccccc2OCc2ccccc2)cc1 100054368 PILBKLAMPQNEJP-UHFFFAOYSA-N 432.608 7.139 30 10 IKEE CCCCCCCOc1c(Cl)cc(C(=O)Nc2nnc(C(C)C)s2)cc1Cl 101139679 NWMXFXDWVFFHPZ-UHFFFAOYSA-N 430.401 6.570 30 10 IKEE CN(C)c1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 102603010 JGIXGZPRIAAVOA-VFJWVMJUSA-N 432.907 5.032 30 10 IKEE CCn1cc(/C=C2\Oc3c(ccc(OC(=O)c4ccccc4C)c3C)C2=O)c2ccccc21 102737776 ZGINXNMAINJUFH-MYYYXRDXSA-N 437.495 6.113 30 10 IKEE C=CCn1c(=S)[nH]c2cc(C(=O)Nc3ccc4c(ccn4CC(C)C)c3)ccc2c1=O 109219604 DMIVNNDBYKCCSQ-UHFFFAOYSA-N 432.549 5.108 30 10 IKEE CCN1C(=S)N[C@H](c2cccc(OCc3ccc(Cl)cc3)c2)C2=C1CCCC2=O 169932903 PTCMRJIGYZCDKN-JOCHJYFZSA-N 426.969 5.177 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1ccc(O)cc1)c1cc2ccccc2o1 169963698 PANKQZUZLTUIBP-QFIPXVFZSA-N 447.393 5.200 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2cccc(Cl)c2)c1 169970116 MCFRZHQTKGLJQU-HSZRJFAPSA-N 443.886 6.178 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2cccs2)ccc1F 169984304 JSWUVOICBFTTAK-FQEVSTJZSA-N 441.911 5.940 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1cccs1)c1ccc([N+](=O)[O-])cc1 169985788 IUJYQNUKKLIBFF-GOSISDBHSA-N 440.864 5.093 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccccn2)cc1 169992009 HJFOUBMEEGAHDS-RUZDIDTESA-N 426.516 5.307 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2cccc(C)c2)cc1 170028249 SPLQJOQYGLLICF-RUZDIDTESA-N 441.527 5.793 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2ccccc2C)cc1 170029701 FHFRDRFCGZNVAH-XMMPIXPASA-N 443.499 5.185 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2cccc(O)c2)c1 170082206 WWKIGOQXGLSIRZ-QFIPXVFZSA-N 435.426 5.070 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccco2)cc1Cl 170092228 PAALJXPJLDNXLU-LJQANCHMSA-N 444.270 5.378 30 10 IKEE CCOc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(CC)cc3)[C@H]2c2ccco2)c1 170097741 GFYKZJNCBGDMPC-HSZRJFAPSA-N 431.488 5.019 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccs2)cc1C(C)C 170162464 NSFVCYMJJWOPEC-NRFANRHFSA-N 437.517 5.252 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@H]1c1ccccn1 170170027 FBYRPSCMIXYWQO-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1ccccc1)c1cccc(Cl)c1 170229498 BSRUXXXCHKFESJ-HXUWFJFHSA-N 425.818 5.401 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccccc1 170231261 WXBSKNAWXMTJOM-XMMPIXPASA-N 440.543 5.466 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(C(C)C)cc2)cc1 170246237 MZRGLAYBJJHNMM-DEOSSOPVSA-N 433.548 5.730 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccc2F)c1 170249599 FAHLVRODZHAXRT-QHCPKHFHSA-N 431.463 5.316 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2c2ccccc2)cc1 170265419 CNAKXFWTPSWVCJ-SANMLTNESA-N 437.539 5.911 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2ccco2)cc1 170284010 ZVQUPCJNHDHJGL-OAQYLSRUSA-N 437.879 5.423 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccco2)c(C)c1 170289350 JPIODRKGWQMOQE-DEOSSOPVSA-N 427.500 5.558 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1ccco1 170290306 RGYBKRNMYDITDS-LJQANCHMSA-N 445.805 5.003 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@H]1c1ccc(C)o1 170300211 ZYEZAZMQKGDWHL-QFIPXVFZSA-N 435.451 5.135 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1sccc1C 170315541 DCVNBOVBVMKFRA-OAQYLSRUSA-N 433.529 5.465 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1Cc1ccccn1 170316591 YAEDIHGNTGCDKL-QFIPXVFZSA-N 440.524 5.383 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccco2)=C(O)C(=O)N1CCc1ccc(Cl)cc1 170425317 QEWUXYFCWJGVNK-GOSISDBHSA-N 427.909 5.124 30 10 IKEE C[C@@H]1C/C(=C/c2ccc(Br)o2)C(=O)/C(=C/c2ccc(Br)o2)C1 245294809 APRXJXKHNDDTQQ-WTMOMKECSA-N 426.104 5.864 30 10 IKEE C=CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1C12CC3CC(CC(C3)C1)C2 253572017 PRFRWYVAJJVOOY-UHFFFAOYSA-N 436.625 5.280 30 10 IKEE CN1/C(=C2/SC(=Nc3ccc(F)cc3)N(C3CCCCC3)C2=O)Sc2ccccc21 254296341 RBDMRKYPGQLHFZ-XJIBWINFSA-N 439.581 6.133 30 10 IKEE O=C1[C@H](c2ccccc2)SC(=NN=Cc2ccco2)N1c1cccc(C(F)(F)F)c1 254505211 XRBJQNHZTSZWOT-SFHVURJKSA-N 429.423 5.510 30 10 IKEE CCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2C)S/C1=N/[C@H](C)c1ccccc1 254826785 MADKRYSQLQJOKH-VGMZVGMJSA-N 425.579 5.119 30 10 IKEE Cc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(OCC(C)C)cc2)cc1 526520017 DFUNIEITCTVWAT-SANMLTNESA-N 438.527 5.959 30 10 IKEE CCOc1ccc2ccccc2c1/C=N\n1c(C)nnc1SCc1ccc(C)cc1C 526810555 AFLAISUMNYQLJX-YSMPRRRNSA-N 430.577 5.930 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1ccc(Cl)cc1Cl 526823519 WKPUJIRSDYHQBI-MXAYSNPKSA-N 444.391 5.974 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@@H](NC(=O)CCC3CCCCC3)C2)c1 586022287 PEMYNJNEZKOPSC-XMMPIXPASA-N 439.644 5.606 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)CC(C)(C)NC(=O)OC(C)(C)C)c1 698447455 ZCSGAGGVGMWWFC-KRWDZBQOSA-N 433.549 5.022 30 10 IKEE CCCCCCCCCC[C@H](NC)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 705506730 TUQHQYQKVXBVEF-HVCNVCAESA-N 448.692 6.604 30 10 IKEE O=C1C(=NNc2cc(Cl)ccc2Cl)c2ccccc2N1CCOc1ccccc1 1083944147 RMDWNHLFMBCRKC-UHFFFAOYSA-N 426.303 5.235 30 10 IKEE CCOC(=O)c1ccc(-n2c(C)cc(C=Nc3ccc(-n4c(C)ccc4C)cc3)c2C)cc1 1084095360 AKQTXXPNLKVCEZ-UHFFFAOYSA-N 439.559 6.429 30 10 IKEE COC(=O)c1ccccc1C(=O)ON=C1CC(C)(C)Cc2c1cc(C)n2-c1ccc(C)cc1 1772728326 HKCBZJWVTKZPAE-UHFFFAOYSA-N 444.531 5.414 30 10 IKEE O=C1/C(=C/C=C/c2ccccc2[N+](=O)[O-])SC(=Nc2cccnc2)N1C1CCCCC1 1772731744 RIRRVVYPFVMSLJ-GBCXYUFFSA-N 434.521 5.483 30 10 IKEE Cc1nnc(N=C2S/C(=C/C(Cl)=C\c3ccccc3)C(=O)N2C2CCCCC2)s1 1772733761 ANJKLGWEKDLBBO-ZXIWAFQJSA-N 445.013 5.906 30 10 IKEE Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N\NC(=S)Nc2cccc(F)c2)c(C)c1 1857810634 ANGREDUTIMAPNY-DICXZTSXSA-N 443.551 5.616 30 10 IKEE CCOc1ccc(/C=C/C(=O)C(=O)NC2CCCCCCCCCCC2)cc1OCC 1860735061 BQCBYDPPVVRRQU-FBMGVBCBSA-N 429.601 5.856 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](C)NC(=O)c1c(Cl)ccc(Cl)c1Cl 1861139990 LTAOTJICHKKJKK-AWEZNQCLSA-N 435.823 6.022 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(C)cc2)cc1 1862390052 USWBNZWWUXUGFA-AREMUKBSSA-N 439.555 6.116 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@@H]2c2ccc(C(=O)O)cc2)cc1 1862395628 UUFZISDAMCURLZ-JOCHJYFZSA-N 435.520 5.106 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2cccc(F)c2)cc1C 1862401855 LJRMJJONOOONTD-QHCPKHFHSA-N 449.453 5.060 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(Cl)c(Cl)c1 1862450358 FRJGYFONTPEJMY-GOSISDBHSA-N 438.738 6.025 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(OCCCCC)cc1 1862497874 VAOUVPRBQXNDDG-DEOSSOPVSA-N 433.548 5.637 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(CC)cc2)cc1 1862530575 SLOUARSTOAIFDH-QHCPKHFHSA-N 431.557 5.651 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CC(C)C)cc1 1862550725 KFDUCCWYMKZPTD-VWLOTQADSA-N 447.575 5.589 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1cccc2ccccc12 1862561415 PQFDMYXCZVOPKB-WSNNEZGNSA-N 440.543 5.579 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1cccc2ccccc12 1862644083 BXDMKQQECVWBHN-XMMPIXPASA-N 447.506 5.756 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2ccccc2F)cc1 1862663307 RFVYOKXJHSLVBA-QHCPKHFHSA-N 449.547 5.832 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc(Cl)c1 1862675343 IHWRYHNTNDGJPO-OAQYLSRUSA-N 445.918 5.264 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(OCC)c(OC)c1 1862680148 VGKHIOPZGVMCHU-JOCHJYFZSA-N 441.499 5.002 30 10 IKEE Cc1cc(Cl)ccc1NC1=C(c2ccccc2F)C(=O)N(c2ccc(C#N)cc2)C1=O 1862926040 SCOARTRQVNZPIT-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE Cc1cc(C2=C(Nc3cccc4ccccc34)C(=O)N(c3ccccc3C#N)C2=O)ccc1F 1863100568 UWPWAFWKRAWECF-UHFFFAOYSA-N 447.469 5.556 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(SC)c2)=C(c2ccc(F)cc2)C1=O 1863149305 XUPCPTSLNUUEJB-UHFFFAOYSA-N 440.584 6.100 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(C3CCCCCCC3)C2=O)cc1C 1863253846 AWZJLOZMQNAGSN-UHFFFAOYSA-N 427.548 5.480 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(C)cc2)cn1Cc1cccc(C)c1 1870770578 QFAGGKFDJUCGMR-UHFFFAOYSA-N 428.576 5.266 30 10 IKEE CCCCCCCOc1cn(C[C@H](C)O)c(CNc2cccc(C(F)(F)F)c2)cc1=O 1870835951 CIETUOWRVRUYOT-KRWDZBQOSA-N 440.506 5.209 30 10 IKEE Cc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(CCOc1ccccc1)C3 1871346784 WXUMVCJMADSUTK-IWIPYMOSSA-N 427.500 5.151 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4cccs4)cc(C)c3C2=O)c(OC)c1 1871381067 MFQXWBIVCGVWAZ-CDIOHJBMSA-N 448.496 5.309 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O 1871385665 GNWWSAHBTBLMCB-HMAPJEAMSA-N 449.300 5.604 30 10 IKEE CCCC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2)C3=O)cc1 1871390850 MAIVRCTUQGSWHD-HAHDFKILSA-N 442.467 5.536 30 10 IKEE CC1(C)C[C@H]2C[C@@](C)(CN2Cc2c(O)ccc3c2O/C(=C\c2cccc(Cl)c2)C3=O)C1 1871394121 FKQWWTHFJHQADH-UHZMZGNXSA-N 437.967 6.062 30 10 IKEE Cc1ccc(OCCCOc2ccc3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)cc1 1871405948 NTXLGTGCJHWOLV-QFEZKATASA-N 430.456 5.188 30 10 IKEE CCOc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871408691 YWRAULOYZJTBIU-AOBKZXEFSA-N 443.499 5.416 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2cccc(OC)c2)C3=O)cc1 1871412016 TZVLMLOVUBIPHA-WZJLVRHISA-N 443.499 5.280 30 10 IKEE CCc1ccc(OCCCOc2ccc3c(c2C)O/C(=C\c2ccc(OC)cc2)C3=O)cc1 1871412983 OHTQEEVPWPZKFC-ITYLOYPMSA-N 444.527 6.030 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2C)C3=O)c(C)c1 1871413462 HIILKYOAQDVTCE-PUDRWSQFSA-N 441.527 5.942 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(O[C@@H](C)C(=O)Nc4cccc(C)c4C)c3C)C2=O)o1 1871414391 UQFGIKCFFCUIDT-QRAWFLTRSA-N 431.488 5.535 30 10 IKEE C[C@@H](Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O)C(=O)Nc1ccc(Cl)cc1 1871414870 QQSFYZIQZGQZFW-ICSXDGQRSA-N 445.902 5.918 30 10 IKEE Cc1cc(OC(c2ccccc2)c2ccccc2)cc2c1C(=O)/C(=C/c1cccc(F)c1)O2 1871430462 BAEZYSGQPJDQIT-ONUIUJJFSA-N 436.482 6.919 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4cc(C)cc(C)c4)cc(C)c3C2=O)c1 1871454811 ZDSSNUNZJGRCDQ-CFRMEGHHSA-N 443.499 5.254 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1871861984 VLRHUWLVZZHWGF-HSZRJFAPSA-N 446.588 5.207 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1872083255 APYFUJCLWJYDLJ-XMMPIXPASA-N 442.625 5.240 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1ccccc1 1872302753 RQRLJJAXAQLUMT-QFIPXVFZSA-N 449.016 5.413 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccccc1CC)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 1872479734 SNLUXMSEZPGBDW-RUZDIDTESA-N 448.588 5.114 30 10 IKEE C[C@H](Oc1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872763045 COHXCXKFLGIXFM-YVEFUNNKSA-N 427.869 5.015 30 10 IKEE N#C[C@H](C(=O)c1cccc2ccccc12)c1nc(-c2ccc(Br)cc2)cs1 1872765558 RKRMZQBGNOXLER-LJQANCHMSA-N 433.330 6.216 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)cc1 1872770604 ZOLXHFXWVRAIJE-LJQANCHMSA-N 443.528 5.003 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3c(C)cccc3C)n2)cc1F 1872775770 ZHIWFWDYXPDKPG-SFHVURJKSA-N 438.524 5.610 30 10 IKEE COc1cc(-c2csc([C@H](C#N)C(=O)Cc3ccccc3Cl)n2)c(OC)cc1Cl 1872783439 ZUSXXZHQQHHFKT-CQSZACIVSA-N 447.343 5.553 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3c(C)ccc(C)c3C)n2)cc1Cl 1872785158 HBRCYQOEKLWMKG-KRWDZBQOSA-N 440.952 5.653 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3cccc4ccccc34)n2)cc1Cl 1872785736 VCAQJVKAALQYED-IBGZPJMESA-N 432.932 6.044 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)COc2cccc(C)c2C)n1 1872785823 WMVHDIBWPOGPDB-OAQYLSRUSA-N 432.589 6.288 30 10 IKEE CCCCCCCCNC1=C(c2cccc(Br)c2)C(=O)N([C@H](C)CC)C1=O 1873055324 BRGWPZBSXQUVSK-MRXNPFEDSA-N 435.406 5.278 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2[C@H](C)CC)=C(c2ccc(-n3cccc3)cc2)C1=O 1873203153 BNTYCKQLZDIYEM-LJQANCHMSA-N 425.532 5.369 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)c(Cl)c2)=C(c2ccccc2C)C1=O 1873305375 ALSKNHWQQXCOEX-UHFFFAOYSA-N 442.962 6.340 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C(C)=O)cc2)=C(c2ccc(C)c(C)c2)C1=O 1873363601 WXGDHHWNEZITAP-UHFFFAOYSA-N 446.591 6.059 30 10 IKEE CCCSc1nnc(CCc2ccc(OCC)c(OC)c2)n1/N=C/c1cccc(C)c1 1874202001 FRLCAYFDLJEWSO-KOEQRZSOSA-N 438.597 5.163 30 10 IKEE CCCCOc1ccc(/C=N/n2c(COc3cc(F)ccc3F)nnc2SCC)cc1 1874261393 GJSMDJBXKCSIRJ-AFUMVMLFSA-N 446.523 5.308 30 10 IKEE CCCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1cc(OC)ccc1OC 1874284721 VCWFOPWUQRHBBQ-BUVRLJJBSA-N 444.988 5.118 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3Cl)n2/N=C/c2ccccn2)cc1 1874349704 ZLHITRSXGJYKHC-CVKSISIWSA-N 449.967 5.100 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(COCc2ccccc2)nnc1SCC(=C)C 1874355284 HBHQBEGBKDDTSG-MFKUBSTISA-N 434.565 5.110 30 10 IKEE Clc1ccccc1CSc1nnc(COCc2ccccc2)n1/N=C/c1ccccc1 1874355660 VCTQZUZCAJFYGJ-CVKSISIWSA-N 448.979 5.823 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccc(C)c(C)c3)n2/N=C/c2cccnc2)c1 1874358414 GNFDRSJDRWRVNU-LQKURTRISA-N 441.604 5.672 30 10 IKEE O=[N+]([O-])c1cccc(/C=N/n2c(SCCc3ccccc3)nnc2-c2cccs2)c1 1874422827 GSPUABFKWBOCDC-PXLXIMEGSA-N 435.534 5.132 30 10 IKEE Cc1ccccc1CSc1nnc(C2CCCC2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874452253 MJFFPKYSHOBCCW-MZJWZYIUSA-N 444.526 6.437 30 10 IKEE Fc1ccccc1/C=N/n1c(SCc2c(F)cccc2Cl)nnc1C1CCCC1 1874459047 URAUHHYLDJTCMO-BRJLIKDPSA-N 432.927 6.042 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccccc1F 1874485701 IRBMUUALBUZDGF-BHGWPJFGSA-N 437.371 6.196 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2sccc2C)c(C)c1 1874492557 SXVIWAYBXXQRAL-FSJBWODESA-N 441.626 5.076 30 10 IKEE COCc1nnc(SCc2ccccc2Cl)n1/N=C/c1c(Cl)cccc1Cl 1874501987 KAGYKXRFYWUWSU-LSFURLLWSA-N 441.771 5.559 30 10 IKEE COCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccccc1OC(C)C 1874502745 XMXKGMOVZDGTFQ-CVKSISIWSA-N 446.576 5.539 30 10 IKEE COc1cccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C(C)C)c1OC 1874514955 NZCMQBNBPPFSTQ-BHGWPJFGSA-N 448.951 5.386 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3F)nnc2C2CC2)cc1 1874516606 FRNXDCDSCMFLTD-DHRITJCHSA-N 437.544 5.031 30 10 IKEE Clc1ccc(CSc2nnc(C3CC3)n2/N=C/c2cccc(Br)c2)cc1 1874520219 HRXBIRYPYQBTBO-SSDVNMTOSA-N 447.789 5.746 30 10 IKEE O=[N+]([O-])c1ccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C2CC2)cc1 1874521176 GDSUDNUFXHNDID-LSHDLFTRSA-N 448.335 5.545 30 10 IKEE COc1ccc(/C=N/n2c(C)nnc2SCc2c(Cl)cccc2Cl)cc1OC 1874533531 NQNICGTXGDGMCT-LSHDLFTRSA-N 437.352 5.085 30 10 IKEE O=C(/C=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12)c1cccc([N+](=O)[O-])c1 1874569659 CCXQHAXGOWEUPM-BUHFOSPRSA-N 427.431 6.362 30 10 IKEE O=C(COc1ccccc1/C=C/C(=O)c1ccc(-c2ccccc2)cc1)NCc1ccccc1 1874570751 HCJAUMAABZOFJC-FMQUCBEESA-N 447.534 5.945 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(CC)cc1 1874572847 ISXAOAKEGJLPTF-WUKNDPDISA-N 443.587 6.326 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1OCc1ccccc1Cl 1874579415 MEXQSXLMXGVKOD-ZRDIBKRKSA-N 447.745 7.131 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC)c1OCc1ccccc1F 1874585528 XYAXLFYMINDMHS-FYWRMAATSA-N 448.534 6.616 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1[N+](=O)[O-])Nc1ccccc1 1874608817 IVQASZLGPNBDQO-ZRDIBKRKSA-N 436.851 5.162 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)c(C)c1 1874615234 NDXVBHRSHBJRFH-RUDMXATFSA-N 445.773 7.739 30 10 IKEE CCCOc1c(OCC)cc(/C=C/C(=O)c2ccc(OCC)cc2OCC)cc1[N+](=O)[O-] 1874631992 FFOCNNUMTYGLEG-FMIVXFBMSA-N 443.496 5.476 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1Cl 1874637117 JROYQCMUXRFULU-PMXLPMHFSA-N 449.934 5.501 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1cccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c1 1874693442 FWFKUFGYYPFCDR-UKTHLTGXSA-N 446.930 6.343 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)c2)cc1 1874697961 TVGCCDLYKIRNRY-CFIBSBMNSA-N 444.527 6.088 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cccnc3)c2)cc1 1874708790 USQSQYCCCYFRGN-SFQUDFHCSA-N 443.543 6.546 30 10 IKEE COc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(C(C)C)cc3)c2)cc1OC 1874710082 SDFHAFOVBPMESZ-RIYZIHGNSA-N 430.500 5.943 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2cccc(OC(=O)CCc3ccc(Cl)cc3)c2)c1C 1874710655 GVRVSJILINECBJ-GXDHUFHOSA-N 446.974 7.008 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(C)c(C)c3)c2)c(OCC)c1 1874714711 KGIAYIPFYBSGDE-RVDMUPIBSA-N 444.527 6.216 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc1OC(=O)c1cccs1 1874714936 VNBTZDJRRLFDLQ-SOFGYWHQSA-N 442.920 5.842 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](C(C)(C)C)CSc2nnc(-c3ccccc3Cl)n21 1875003446 ACPWKNIRBBOILN-LJQANCHMSA-N 449.064 6.334 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc4ccccc4n3C)cc2)cc1C 1875107128 BICGQAKCVJYDRM-GXDHUFHOSA-N 425.484 5.611 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc(F)c(F)c1 1875110703 YDSCKKTVTRGKFS-YRNVUSSQSA-N 442.845 6.132 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)c1ccncc1 1875140929 FVVHZUFXNVBIJF-ZZXKWVIFSA-N 425.843 5.306 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)cc2)ccc1F 1875141232 UKNLXAXCGLEBDH-KCCWEBPOSA-N 434.894 6.393 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)c1cnc(C)cn1 1875155666 NZWRWYKGZHZMJH-IZZDOVSWSA-N 446.503 5.041 30 10 IKEE COc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1Cl 1875158231 LNYUYDGFIUSWAD-WUXMJOGZSA-N 440.854 5.368 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)cc2)CC1 1875168818 VXQVIRZRTQHQPM-QGOAFFKASA-N 446.631 7.718 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)CC(C)C)c([N+](=O)[O-])c2)c1 1875172149 HFIVUWADOQQQPE-JXMROGBWSA-N 441.480 5.240 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2OC)cc1 1875179134 VAWSPIJLKLGVBS-RIYZIHGNSA-N 444.527 5.755 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)ccc1OC(=O)C1CCC1 1875188365 URBHFKLDUMNAAS-SOFGYWHQSA-N 435.303 5.612 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3F)cc2)c2ccccc12 1875190466 NBXBYYBKCJPEGB-FOWTUZBSSA-N 440.470 6.032 30 10 IKEE C=CCn1c(C(=O)N(CCCC)CCCCCC)cc2c(NCCCCCO)ncnc21 1875229393 XJSWWJRJUPDCPB-UHFFFAOYSA-N 443.636 5.014 30 10 IKEE Cc1c(CC(=O)O)cc(N=[N+]=[N-])cc1N(C)C(=O)OCC1c2ccccc2-c2ccccc21 1887521449 OIDPNWCYFAZKFP-UHFFFAOYSA-N 442.475 5.949 30 10 IKEE O=C(Nc1cc(C(F)(F)F)ccc1F)c1cc(Br)cc(OC(F)(F)F)c1 1889932478 RLGUYHSDTXLAQR-UHFFFAOYSA-N 446.116 5.758 30 10 IKEE N#Cc1ccc(OC2CCN(C(=O)CCc3ccc(OCc4ccccc4)cc3)CC2)cc1 1892401520 CIRCZXWWIVQMSV-UHFFFAOYSA-N 440.543 5.140 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CC[C@@H](CCNC(=O)OC(C)(C)C)C(C)C)NCC 1922108146 RJMRRJAHORKYLY-BJKOFHAPSA-N 432.649 5.705 30 10 IKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C#N)c1c(Br)cccc1Br 1938365205 NZEBVBBZKQFEMG-BXUZGUMPSA-N 446.183 5.812 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C1(C)C 2014806902 IHZMAGQMZYUDAG-HSZRJFAPSA-N 449.617 5.557 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2016843486 VNIYVIIZVIBGPZ-YIGJPRQDSA-N 427.545 5.110 30 10 IKEE C/C=C1/C(=O)[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@@H]3[C@@H](C)CCC(=O)OC)[C@@]2(C)CC[C@H](O)C[C@H]12 2037854505 SXDZXAFUWCERDJ-SSGCSDQWSA-N 430.629 5.331 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(Cc3ccccc3)C3(CCC3)C2)c1 2037915568 XEQBIUOEWLWTJQ-HHHXNRCGSA-N 431.580 5.828 30 10 IKEE CC[C@@H]1CC=C(C(=O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CC1 2071341013 NXQFADPZZLCKPL-JOCHJYFZSA-N 426.556 7.164 30 10 IKEE Fc1ccc(Cn2nc(C3CC3)c(C(F)(F)F)c2Br)cc1C(F)(F)F 2079808310 MRLGRZZWBZSOCM-UHFFFAOYSA-N 431.149 5.748 30 10 IKEE CC(C)(C)c1nn(Cc2cc(F)cc(C(F)(F)F)c2)c(Br)c1C(F)(F)F 2079834937 VJQNHLLGGDNLKX-UHFFFAOYSA-N 447.192 6.168 30 10 IKEE CCCCCC#CC[C@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)NCCC 2083432678 CFPXOVOJEVYCSK-RUZDIDTESA-N 443.676 5.355 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)NCCC 2084688557 CIQKTOHPQKCMSK-HVCNVCAESA-N 444.660 5.991 30 10 IKEE C=CCCCCCCCCC[C@@H](N)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2086264928 YPUGRJMFUKZPDE-RPBOFIJWSA-N 446.676 6.511 30 10 IKEE N#Cc1cc(F)cc(Nc2cc(Br)c(Br)c(Br)c2)c1 2095446174 RETXKDOYGQKXLI-UHFFFAOYSA-N 448.915 5.728 30 10 IKEE Clc1ccc(N=C2NC3(CCCC3)CCS2)c(Cl)c1I 2150345112 ALTXHHWJWMFYDP-UHFFFAOYSA-N 441.165 5.625 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1c[nH]nc1C(F)(F)F 2154852837 RZBVEIXHMXIQLH-CYBMUJFWSA-N 445.239 5.197 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H](Nc2ccc(C#N)c(Br)c2)CC12CCCCC2 2155308646 YMPFPSJWDSULTQ-KRWDZBQOSA-N 434.378 5.445 30 10 IKEE CN(CCc1ccc(Nc2cc(Br)cc(C#N)c2)cc1)C(=O)OC(C)(C)C 2162300031 DGPTZVTVOLCRCW-UHFFFAOYSA-N 430.346 5.474 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H](CNc1cc(Br)cc(F)c1C#N)C2 2163700857 WIHKTVMMKMTKCI-XMQYKBBCSA-N 438.341 5.050 30 10 IKEE CCN(c1cc(Br)c(C#N)cc1F)C1CCC(NC(=O)OC(C)(C)C)CC1 2174812837 PKRKGWXTDDVLDV-UHFFFAOYSA-N 440.357 5.122 30 10 IKEE COc1cc(Nc2ccc(C#N)c(Br)c2)ccc1CNC(=O)OC(C)(C)C 2192919751 UEKJYCRIMVXEBZ-UHFFFAOYSA-N 432.318 5.098 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(Br)c(C#N)c2)CC12CCCC2 2194586494 UECNDIFTSLBCGW-KRWDZBQOSA-N 434.378 5.445 30 10 IKEE C[C@H](c1cccc(Oc2cc(Br)cnc2C#N)c1)N(C)C(=O)OC(C)(C)C 2198826357 FRHXRBDYJWGBFS-CYBMUJFWSA-N 432.318 5.436 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2sc(C)c(Br)c2C)c1 2226504675 YSUQUUBNHLDXDO-MRXNPFEDSA-N 435.387 6.442 30 10 IKEE CCCCCCC[C@@](C)(CO)N(C(=O)OC(C)(C)C)c1ccccc1Br 2227111568 VTBVRIINAFUZHU-NRFANRHFSA-N 428.411 6.302 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)cc1CC 2237544496 VFUIDXUQGJOAOF-UXHICEINSA-N 437.422 5.359 30 10 IKEE C[C@H](N(Cc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(C)(C)C 2247865389 UIKAXMUPSPKQHR-KRWDZBQOSA-N 427.419 5.124 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)C[C@@H]2CCCC[C@@H]21 2253872417 UPMRMBPKGKVMQP-KHOMTPLRSA-N 447.620 5.628 30 10 IKEE C=CCCC1([C@@H](NCC)c2ccc(Br)s2)CN(C(=O)OC(C)(C)C)C1 2255003467 JFEIZXMDEGBOJS-INIZCTEOSA-N 429.424 5.365 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](O)c1sc(Br)c(C)c1C 2265921402 OCHDXKOQPZRYME-RTBURBONSA-N 438.431 5.302 30 10 IKEE O=C1C(=O)N(Cc2ccco2)[C@H](c2ccccc2Cl)C1=C(O)c1ccc(Cl)cc1 2296285351 WFFZWQJUYCGRDV-LJQANCHMSA-N 428.271 5.208 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)C[C@@H](C)N(CC)C(=O)OC(C)(C)C 2296311381 WOWORDHGRDSLLT-YLJYHZDGSA-N 437.422 5.204 30 10 IKEE C=Cc1ccc(COc2ccc3c(c2)OC(=Cc2ccc(OC)c(OC)c2OC)C3=O)cc1 2296868468 INMKAJNEUBJWDH-UHFFFAOYSA-N 444.483 5.551 30 10 IKEE C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC(=Cc1ccnn1C1CCCC1)C2=O 2297124291 NDZYXAXWOZOQAQ-HCQMQIOBSA-N 434.624 5.884 30 10 IKEE COc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2SC(=Nc3ccccc3)N(C)C2=O)o1 2297462971 OXUQISYJXBUFNT-UHFFFAOYSA-N 435.461 5.097 30 10 IKEE CC(=O)C1=C(C)N=C2N=C(SCc3ccccc3Cl)NN2[C@H]1C=Cc1ccccc1 2314810442 INIBGDKMECVOPM-FQEVSTJZSA-N 436.968 5.064 30 10 IKEE CCc1nnc(SCCc2ccccc2)n1N=Cc1ccc(OCc2ccccc2)cc1 2321012734 YQLWSGJCGKJYRO-UHFFFAOYSA-N 442.588 5.637 30 10 IKEE Cc1ccc(COc2ccc(C=Nn3c(S)nnc3-c3ccccc3Cl)cc2)cc1 2321993342 WZBJNLPKGYQVHF-UHFFFAOYSA-N 434.952 5.657 30 10 IKEE CCc1ccc([C@H](C)N2COc3ccc4c(c3C2)OC(=Cc2ccccc2C)C4=O)cc1 2322260153 JHCQIBLRSLGMBL-IBGZPJMESA-N 425.528 6.087 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccncc1)C3=O)CN(CCc1ccc(Cl)cc1)CO2 2322286541 GLSWYOBFCUUZQV-UHFFFAOYSA-N 432.907 5.054 30 10 IKEE CCCCCCN1COc2c(cc3c(c2C)OC(=Cc2ccc(N(CC)CC)cc2)C3=O)C1 2322368890 VUXPRXHAWWONFH-UHFFFAOYSA-N 448.607 6.190 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCc2ccccc2Cl)c1 2322371882 FSCRGRMLXGAOAG-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(F)cc2F)c1OCc1cc(C)ccc1C 2322501860 LITSNCIMVSGMQB-UHFFFAOYSA-N 442.889 6.719 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2cc(C)ccc2C)c(C)c1 2322573013 NDQDBCFWUNSPEN-UHFFFAOYSA-N 447.962 6.487 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cc(Cl)ccc1OCc1ccccc1Cl 2323022608 VXRLAKYXWLKIAH-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE C=C(C)COc1c(OC)ccc(C=CC(=O)c2ccc3c(c2)CCCC3)c1Br 2323054897 LGSCQKFVRFEIEM-UHFFFAOYSA-N 441.365 6.188 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1OCc1cccc(F)c1 2323073199 ZTFDABPZQUSDLW-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE Cc1ccc(OCC(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2323195509 MSWAOAPPZMXADV-UHFFFAOYSA-N 434.875 5.557 30 10 IKEE COc1ccc(-c2cc(O)nc(NN=Cc3cc(Cl)c(OC(C)C)c(Cl)c3)n2)cc1 2323260594 ZCMSOCFIBPFRMY-UHFFFAOYSA-N 447.322 5.398 30 10 IKEE Cc1c(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2F)C3=O)cccc1[N+](=O)[O-] 2323260784 CZMDGFBGMFHJDY-UHFFFAOYSA-N 433.391 5.186 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC)c(OCc3ccc(Cl)cc3)c2)cc1C 2323310724 JBMWJJNCBIBKCP-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE Cc1c(OC(=O)C=Cc2cccs2)ccc2c1OC(=Cc1cn(C)c3ccccc13)C2=O 2323524708 WLSJQHJPMXYFQC-UHFFFAOYSA-N 441.508 5.783 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1C 2323580439 PONVTCIYXYNDKQ-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE CCOc1cc(C=NNc2nc(-c3cccc(OC)c3)cs2)cc(Br)c1O 2323840242 DJAACWNZAWBAFW-UHFFFAOYSA-N 448.342 5.132 30 10 IKEE COc1ccccc1-c1csc(NN=Cc2ccccc2OCc2ccc(C)cc2)n1 2323865698 OKFHQGQXDWXBJX-UHFFFAOYSA-N 429.545 6.152 30 10 IKEE C=CCOc1c(Br)cc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1OCC 2324048042 MBNXYKXJYPAOGB-UHFFFAOYSA-N 445.309 5.080 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(ccc(O[C@H](C)C(=O)OC(C)C)c3C)C2=O)cc1 2324305610 PXXQAENEBFUGPM-GOSISDBHSA-N 437.536 5.176 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1 2324376046 YURLRIVDMHTSSN-KRWDZBQOSA-N 447.918 5.979 30 10 IKEE Cc1ccc(OCCCCOc2cc(C)c3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1 2324588684 FXGDCMPGDIYFGG-UHFFFAOYSA-N 432.491 6.297 30 10 IKEE COc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1 2324693523 GQSVJEFYZVULMI-QFIPXVFZSA-N 446.572 6.149 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(C(C)(C)C)cc3)n2)c(OC)c1 2324760632 IBJMXQFFKFXQSD-OAQYLSRUSA-N 446.572 6.014 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(Cl)c(Cl)c1 2325610865 ZXZYPKKBGOFZEK-UHFFFAOYSA-N 443.762 6.114 30 10 IKEE COc1ccc(CCOc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2Cl)C3=O)cc1 2325631196 CSTWRXYHQVQCRA-UHFFFAOYSA-N 441.310 6.240 30 10 IKEE COc1cccc(C(=O)C=Cc2cccc(OC(=O)Cc3cc(Cl)ccc3Cl)c2)c1 2325707422 MOCYGHVKMNQUPF-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE Cc1ccccc1CCC(=O)Oc1cccc(C=CC(=O)c2cccc(Br)c2)c1 2325720954 JJSAJOWXHUOHCL-UHFFFAOYSA-N 449.344 6.192 30 10 IKEE Cc1cc(OCC(=O)Nc2ccccc2C(C)C)cc2c1C(=O)C(=Cc1ccc(F)cc1)O2 2325726323 ZIHPNDFLYVLUQE-UHFFFAOYSA-N 445.490 5.891 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1cccc(C=CC(=O)c2cccc(Cl)c2)c1 2325728334 GHKKHUKAMUANPI-UHFFFAOYSA-N 436.891 5.619 30 10 IKEE COc1ccccc1C(=O)Oc1cccc(C=CC(=O)c2ccc(OC)c3ccccc23)c1 2325777393 PATVQQXQEBFJTH-UHFFFAOYSA-N 438.479 5.972 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccc(OC)c(O)c1Cl 2326306213 LWBUGOROJVWCEC-UHFFFAOYSA-N 430.961 5.081 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1sccc1C 2326331906 IEGXCXMPTPRIMW-UHFFFAOYSA-N 426.611 5.382 30 10 IKEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(O)c(Cl)c1 2326513035 GSXYGSFGHSBZKN-UHFFFAOYSA-N 427.744 5.427 30 10 IKEE COc1ccc(C=Nn2c(C)nnc2SCc2ccc(Cl)cc2Cl)cc1OC 2326701739 OQEMNVUWGGZZTE-UHFFFAOYSA-N 437.352 5.085 30 10 IKEE Cc1cccc(CSc2nnc(Cc3cccc4ccccc34)n2N=Cc2ccccn2)c1 2327725363 PHBUXPDYFDMIIB-UHFFFAOYSA-N 449.583 5.900 30 10 IKEE CCOc1c(C=Nn2c(Cc3cccc4ccccc34)nnc2SCC)cccc1OC 2327739333 KDYZDJCFGWFHFH-UHFFFAOYSA-N 446.576 5.424 30 10 IKEE CCSc1nnc(COc2ccccc2OC)n1N=Cc1ccc(Cl)c(Cl)c1 2328261744 OLPOIVFGHATHLS-UHFFFAOYSA-N 437.352 5.167 30 10 IKEE CCCOc1ccccc1C=Nn1c(CCc2ccccc2OC)nnc1SCCC 2328702591 REXHSYSYXLAALI-UHFFFAOYSA-N 438.597 5.245 30 10 IKEE Fc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2N=Cc2cccnc2)cc1 2329860317 ZCZMGVLYLVNLCL-UHFFFAOYSA-N 437.931 5.231 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3cccc(F)c3)nnc2-c2cccs2)c1 2330556399 LWFFVARCXFGYBM-UHFFFAOYSA-N 438.553 5.719 30 10 IKEE C=CCSc1nnc(-c2cccs2)n1N=Cc1ccc(OCc2ccccc2C)cc1 2330590019 RAVGCRILLOCECR-UHFFFAOYSA-N 446.601 6.054 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cc(Cl)ccc2Cl)cc1)c1cccc([N+](=O)[O-])c1 2330621661 JQXWWZVWCRWXFL-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE Cc1ccc(C=Nn2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccccc2)cc1 2330653639 XWELMPGPCQKPDR-UHFFFAOYSA-N 429.505 5.336 30 10 IKEE CCSc1nnc(-c2ccccc2)n1N=Cc1ccc(OCc2ccccc2)c(OC)c1 2330664039 BNLGRAUMAADGBP-UHFFFAOYSA-N 444.560 5.527 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3[N+](=O)[O-])c(Cl)c2)cc1 2330747735 XCZFIUZBXAUOAA-UHFFFAOYSA-N 435.863 5.926 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)CCOC)c(Br)c2)cc1 2330833356 YGXPZHTXLLSPRX-UHFFFAOYSA-N 445.353 5.630 30 10 IKEE Oc1ccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2[C@H]2CCCO2)cc1 2331000973 CKDRYESPGUXVAC-GOSISDBHSA-N 449.363 5.317 30 10 IKEE Cc1ccc(CSc2nnc(C3CCCC3)n2N=Cc2ccc(O)c([N+](=O)[O-])c2)cc1 2331018074 PADGYVQPXPWWGW-UHFFFAOYSA-N 437.525 5.032 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccccc3F)nnc2C2CCCC2)cc1OC 2331071770 PUTSVYXWSWIKRV-UHFFFAOYSA-N 440.544 5.267 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CCCC2)c1 2331092742 KECGQBGBIAQMPY-UHFFFAOYSA-N 441.000 6.162 30 10 IKEE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Oc1ccc(C=CC(=O)c2ccccc2)cc1 2331162028 LQBMKDVZUNKEEG-INIZCTEOSA-N 441.310 6.262 30 10 IKEE Clc1ccccc1CSc1nnc(-c2ccco2)n1N=Cc1c[nH]c2ccccc12 2331210560 NYBCJBSDXDWGEJ-UHFFFAOYSA-N 433.924 5.847 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)[C@H]1CCCO1 2331324368 QGOGDXLECIDAJP-OAQYLSRUSA-N 428.912 5.336 30 10 IKEE Cc1ccsc1C=Nn1c(SCC(=O)Nc2cccc(C)c2C)nnc1C(C)(C)C 2331366359 RQBNYZYGKUIRSP-UHFFFAOYSA-N 441.626 5.175 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(C3CCC3)n2N=Cc2cccc(Cl)c2)o1 2331512332 YRIKCQXXBLQEFV-UHFFFAOYSA-N 444.944 5.143 30 10 IKEE C=CCSc1nnc(C2CCC2)n1N=Cc1ccc(N(CC)Cc2ccccc2)cc1 2331532564 XIDRONBFXRWORT-UHFFFAOYSA-N 431.609 5.732 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 2331539976 LTSRLURJVPQRQD-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccco2)c([N+](=O)[O-])c1 2331549063 RUEAFELWZARXPR-UHFFFAOYSA-N 449.459 5.609 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OC(=O)C1CCCC1 2331552841 MZDPXDUNDJMRBN-UHFFFAOYSA-N 436.548 5.993 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)Cc1ccccc1 2331569295 ADPFKXIFNNMZCP-UHFFFAOYSA-N 448.465 5.746 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2[N+](=O)[O-])cc1 2331707239 CJLPGBODXKWUDU-UHFFFAOYSA-N 429.472 5.889 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)ccc1OC(=O)c1ccco1 2331870012 LZYDPYGCUKYHJH-UHFFFAOYSA-N 428.440 5.565 30 10 IKEE C=CCC(CC=C)[C@H](NCC)c1cc(I)ccc1Br 2338743122 BWDTZYDKMUXYES-INIZCTEOSA-N 434.159 5.473 30 10 IKEE CC1(C)OB(/C=C/c2ccc(NC[C@]3(C)CCCN3Cc3ccccc3)nc2)OC1(C)C 2339583486 XHNNCEPOTOGLNE-FPBAGDOUSA-N 433.405 5.193 30 10 IKEE CN[C@H](C#Cc1cccc(Br)c1)c1ccc(NC(=O)OC(C)(C)C)cc1F 2361081671 KXMVVAGWHNZYLD-LJQANCHMSA-N 433.321 5.247 30 10 IKEE CN(c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CC(C)(C)[C@H]1OCc1ccccc1 2365069351 ZKYODDKGEPBTST-PHTIFGKJSA-N 448.416 5.546 30 10 IKEE C=CCN(CC[C@H](NC)c1c(C)c(C)c(Br)c(C)c1C)C(=O)OC(C)(C)C 2372289549 STRJMZXRGXHQQH-SFHVURJKSA-N 439.438 5.756 30 10 IKEE COc1ccc(/C=C2/S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1OC 2933438 LVNLWCCVSQOFEF-YCJCGMCGSA-N 444.556 5.377 30 10 IKEE Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)c3c(F)cccc3Cl)cc(C)c2c1 12241702 SAOZWAYOTRFEPP-UHFFFAOYSA-N 433.874 5.262 30 10 IKEE COc1ccc([C@H]2CC(=O)C3=C(C2)NC2=C(C(=O)c4ccccc42)[C@@H]3c2ccccc2)cc1 17098443 VXQQDPYJSPRWEC-KBMIEXCESA-N 433.507 5.390 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2sc3c(c2C(=O)OCC)CC[C@H](C)C3)c1 20158692 AZDRTSQSPZZHIX-INIZCTEOSA-N 440.609 6.140 30 10 IKEE CCCCCSc1nc2n(n1)[C@H](c1cccc([N+](=O)[O-])c1)C1=C(CC(C)(C)CC1=O)N2 20850873 HCTIDTCDOZXMNO-LJQANCHMSA-N 441.557 5.127 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1ccc(C)cc1 34955593 XKIWELHJCRUJAF-VCHYOVAHSA-N 448.518 6.786 30 10 IKEE Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1Nc1ncnc(NC(C)C)c1N 40688624 XNEDBXQIUACHDB-QGZVFWFLSA-N 441.366 5.893 30 10 IKEE C[C@@H]1CCc2c(C#N)c(NC(=O)CCCOc3ccc(Cl)cc3)sc(=S)c2C1 41015541 DHVRHMWYVRQUFE-CYBMUJFWSA-N 432.998 5.925 30 10 IKEE COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OCc3ccccc3)cc(C)c2C1=O 41432859 OGWYXBBHLNIMFL-MSXFZWOLSA-N 432.472 5.216 30 10 IKEE C=CCn1c(SCC(=O)N[C@@H]2CCCc3ccccc32)nnc1-c1cccc(Cl)c1 59794865 WDRYLHNQSUIKRU-HXUWFJFHSA-N 438.984 5.070 30 10 IKEE CC1(C)CO[C@H](c2ccccc2)CN1C(=O)c1cccc(OCc2ccccc2C#N)c1 72091385 AUGJYALWLFAAGS-VWLOTQADSA-N 426.516 5.130 30 10 IKEE COc1ccc(/C=C2/CC[C@]3(C[C@@H]4CCCC[C@@]4(O)O[C@@H]3c3ccc(OC)cc3)C2=O)cc1 97527685 LHZZMHLXKOFUGQ-FOLLRJTPSA-N 448.559 5.477 30 10 IKEE CCN1C(=O)C[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)S/C1=N\c1cccc(F)c1 100196085 XTAVIJNZJAVGSU-WGCOJADFSA-N 440.327 5.113 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1sc(C)c(C)c1C(N)=O 100443577 XNVHDSAGCGRHOA-UHFFFAOYSA-N 439.691 5.978 30 10 IKEE CCCCCCCCCCCCn1c([C@H](C)NC(=O)c2cccnc2)nc2ccccc21 102101966 NXGZMUNIMONSMD-QFIPXVFZSA-N 434.628 6.843 30 10 IKEE CCCCCCCCCCCn1c(CCCNC(=O)c2cccnc2)nc2ccccc21 102103439 NOKCMVLWOMFMLT-UHFFFAOYSA-N 434.628 6.325 30 10 IKEE CCCCCCCCCCn1c([C@@H](C)NC(=O)c2cccc(OC)c2)nc2ccccc21 102223845 FRIWDKBXQCZLKK-OAQYLSRUSA-N 435.612 6.677 30 10 IKEE CCCCCCCCOc1ccc(/C=C2/SC(=S)N(c3ccc(O)cc3)C2=O)cc1 102443349 DUDANSXBYVGRLT-OQKWZONESA-N 441.618 6.537 30 10 IKEE CCOC(=O)c1ccc(N/C=C2/C(=O)c3ccccc3-c3oc(C)c(C(=O)OCC)c32)cc1 102628052 TUZIYLWJFSRREK-XSFVSMFZSA-N 445.471 5.258 30 10 IKEE N#C[C@@H]1CCCC[C@H]1Nc1c(Br)cc(Br)cc1Br 104013832 PWLCZYHNTZFBDU-QPUJVOFHSA-N 436.973 5.468 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3ccccc3)o2)S/C1=N/c1cccc2ccccc12 110568601 GMDLQAYZBLCWAR-IXTCTEKTSA-N 436.536 6.890 30 10 IKEE COc1ccc(/C=C2\C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1OC 118930121 IXKJEQQDDXKZRU-GEQAYICDSA-N 436.592 5.590 30 10 IKEE CCCCCCCCCCCCCCCCCCOC1=C(O)[C@H]([C@@H](O)CO)OC1=O 144893100 OIRQROBVKNWIIW-UNMCSNQZSA-N 428.610 5.313 30 10 IKEE CCCCCCCCCCCC[C@H](N)c1cc(Br)c(Br)s1 162509402 VIPVCZXAEVTJBZ-HNNXBMFYSA-N 439.301 7.584 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(C)c2)cc1 169969386 WPCYRQCREAAFJU-QHCPKHFHSA-N 431.463 5.316 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2cccs2)c1 169981791 RIHAATXTULTYHF-QFIPXVFZSA-N 433.529 5.547 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@H]1c1ccccn1)c1ccc(Cl)cc1 169993191 ZAQVCVKJKPJYHS-IBGZPJMESA-N 443.261 5.310 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(OCC)cc2)=C(N2CCc3ccccc32)C1=O 169993788 YWBWDUBWYWOCAN-UHFFFAOYSA-N 446.591 5.588 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@H]2c2ccc(F)cc2)cc1 170061812 RJUBJGJIPDXAFR-XMMPIXPASA-N 445.490 5.488 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(CCOC(C)C)[C@@H]1c1cccs1 170155097 ODPIMPYNILIKJR-OAQYLSRUSA-N 441.593 5.357 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@H]2c2cccs2)cc1C 170157060 YYEHFOUOHZFSMK-QHCPKHFHSA-N 447.556 5.801 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccncc1 170200124 UHGLNXIZRCMLKM-HSZRJFAPSA-N 444.506 5.610 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCC)cc1 170216038 MCFYKZLTSDKWOI-OAQYLSRUSA-N 427.928 5.507 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(C(C)C)cc2)c(C)c1 170246084 PLRSOANIPOVIEP-XMMPIXPASA-N 433.548 5.648 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccccc1F)c1cccc2ccccc12 170251355 NZMZUFGMGQMFJQ-DEOSSOPVSA-N 438.458 5.152 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)C[C@H](C)O3)=C(O)C(=O)N1c1ccccc1 170272269 XYZZVHWIYLESHD-XDHUDOTRSA-N 425.484 5.101 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccco2)cc1C(C)C 170282304 HNNQPLFKRUIZJI-QFIPXVFZSA-N 435.451 5.334 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccco1 170282501 YAPZTWORPQEUNB-LJQANCHMSA-N 441.842 5.172 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@H]2c2ccco2)ccc1F 170288687 ODCUKFAIJAXXLA-FQEVSTJZSA-N 425.843 5.472 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(C)o2)c1 170300166 OGPOOKKRXOENKB-XDHUDOTRSA-N 443.499 5.311 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2Cc2ccncc2)o1 170307915 SIUHJRPJTVCRHJ-IBGZPJMESA-N 443.286 5.068 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccc(O)c(Cl)c2)cc1 170367435 OLDOFDWQRIGRFW-QHCPKHFHSA-N 447.918 5.754 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(O)c1)c1cccs1 170385885 RMHJTRGKEBBZSP-SFHVURJKSA-N 446.311 5.543 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(OC)c2)c1 170409385 SXGQJTRQKMZHDS-DEOSSOPVSA-N 443.499 5.267 30 10 IKEE Cc1ccc(C(=O)C2=NN(c3ccc(Cl)cc3)[C@@H](C#N)[C@H]2c2ccc(Cl)cc2)cc1 248144768 HGZUSTWWQGOJEC-FCHUYYIVSA-N 434.326 6.037 30 10 IKEE CCOc1ccc(C(Cc2ccccc2)=NNc2ncnc3sc4c(c23)CCCC4)cc1 254305711 WSIPHGISJCYIKB-UHFFFAOYSA-N 442.588 6.028 30 10 IKEE CCOc1ccc(N=C(C)c2c(-c3ccccc3)[nH]n(-c3ccc([N+](=O)[O-])cc3)c2=O)cc1 254495822 RWZVFFHSHLTTPN-UHFFFAOYSA-N 442.475 5.280 30 10 IKEE C[C@H](Nc1cc(C#N)c2cc(Cl)ccc2n1)c1ccc(NC(=O)c2ccncc2)cc1 301282923 PEJLMKHAHZUTIZ-HNNXBMFYSA-N 427.895 5.580 30 10 IKEE C=C(COCCC)[C@@H](NCCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 407087657 KNFALKGYQCPTFP-LJQANCHMSA-N 441.410 5.820 30 10 IKEE CCOc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccccc2)cc1 526799610 HOSQAHFUESKCAI-ITYLOYPMSA-N 428.561 5.442 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1c(C)n(CC)c2ccccc12 526808136 BWDMLNKCJOFSEW-PKAZHMFMSA-N 445.636 6.387 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccc(C(=O)O)cc1 526812735 JQFSSUQYTJFECF-QRVIBDJDSA-N 428.945 5.147 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1c[nH]c2ccccc12 526817975 KGKQLCXHSKLLHK-ROTLSHHCSA-N 427.936 5.679 30 10 IKEE Cc1ccc(CN(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 586132963 DFBHRGIZAFSQME-UHFFFAOYSA-N 445.371 5.565 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)OC2CCC(NC(=O)OC(C)(C)C)CC2)cc1 586509491 VUZLDHNEMHKQEH-UHFFFAOYSA-N 439.618 5.351 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCc2c(F)cccc21 698448699 YGZFBCKPSBTUJK-OAQYLSRUSA-N 431.305 5.695 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)CC(C)(C)NC(=O)OC(C)(C)C)cc1 698895031 ZCWVCNGIAKOHFX-QGZVFWFLSA-N 433.549 5.022 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1 698906006 WJBVEAKJRKRPGU-KOSHJBKYSA-N 429.561 5.418 30 10 IKEE CCCN1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)CC1 710751844 RONJCIKZKFPMBR-OAQYLSRUSA-N 436.394 5.349 30 10 IKEE CCCCCCCCCCCCCCCCOc1ccc(C=Nc2ccc(CC)cc2)cc1 1081820647 TWGHYOAJUKDFII-UHFFFAOYSA-N 449.723 9.860 30 10 IKEE CN(C)c1ccc(/C=C2/CCC3=C2S/C(=C2/C=CC=[S+]2)C=C3c2cccs2)cc1 1615056696 IWSULYSQTNHRIO-SDXDJHTJSA-N 432.659 6.742 30 10 IKEE Cc1ccccc1/C=C1/S/C(=N/N=C/c2cccc([N+](=O)[O-])c2)N(Cc2ccco2)C1=O 1615304502 BONOSBDPPXMOPW-IOOFSVDWSA-N 446.488 5.003 30 10 IKEE C=C(C)CN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC(C)(C)c1cccs1 1722513041 QBBINECAOVBDSV-UHFFFAOYSA-N 448.596 5.036 30 10 IKEE C[C@H](C[C@H](O)[C@@H]1OC1(C)C)C1=C2C[C@H](O)[C@@H]3[C@]4(C)CCC(=O)C[C@@H]4CC[C@@]3(C)[C@]2(C)CC1 1772502547 XOWUWSRAQZUPJP-LEIYPNFNSA-N 444.656 5.204 30 10 IKEE C=CCOc1ccccc1/C=C1\SC(=Nc2nc(-c3ccccc3)cs2)N(C)C1=O 1772738781 OYVSEQOSWGYODU-VASVRFFCSA-N 433.558 5.609 30 10 IKEE NC(=S)N/N=C\c1cn(-c2ccc(F)c(Cl)c2)nc1-c1ccc(-c2ccccc2)cc1 1857806657 CWQJXZLPLZRQEG-WKIKZPBSSA-N 449.942 5.166 30 10 IKEE C=CCOC(=O)c1sc(NC(=O)c2cccc(-c3nc4cc(C)ccc4o3)c2)nc1C 1859483637 SEEQIMOHNZGNIB-UHFFFAOYSA-N 433.489 5.163 30 10 IKEE CCCOc1cccc(/C=C/C(=O)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1 1860729519 JNQQVJVJGJJLLI-ACCUITESSA-N 435.907 6.142 30 10 IKEE CCc1ccc(OCCCSc2nc(O)c(C#N)c(-c3ccccc3Cl)n2)cc1 1860825002 HWMHDMQTDMDMNB-UHFFFAOYSA-N 425.941 5.498 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCCC)cc1 1862421242 GAJXJBORVWQWDP-JOCHJYFZSA-N 443.490 5.522 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@@H]2c2ccccc2C)c1 1862429477 ODFDYINAMPNCPM-QHCPKHFHSA-N 431.919 5.735 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CC)cc1OC 1862453557 CKXVIDJVDJZULV-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(Cl)cc3)[C@@H]2c2cccc(F)c2)cc1 1862474488 ONUZOZDSHSKCIJ-HSZRJFAPSA-N 449.909 5.609 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(F)cc2F)cc1 1862477783 RNSZOIMMPSUQHP-HXUWFJFHSA-N 425.456 5.113 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)c1 1862498305 FKEYVABEYVUTQF-HXUWFJFHSA-N 432.347 5.845 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccccc1F 1862501935 NWFCBRZYUGZFAF-QFIPXVFZSA-N 443.490 5.058 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc(F)cc2F)ccc1F 1862503488 YMQRARYXDZQGCC-IIYZAJTGSA-N 443.465 5.569 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2cc(Cl)cc(Cl)c2)cc1 1862521239 CNQMUDJNGDUKGB-HXUWFJFHSA-N 446.330 5.523 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862522080 YUQILCOPZFUVMW-FQEVSTJZSA-N 446.330 5.547 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1cccc(C)c1 1862523462 IGRWIERZMHZYDI-AUUYWEPGSA-N 428.326 5.134 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2ccccc2C)cc1 1862589787 TZPSXKVGGGQARJ-IQGLISFBSA-N 441.527 5.603 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(C(C)C)cc1 1862663986 DMJLVDXCGQEFSI-DEOSSOPVSA-N 435.564 5.548 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1c(Cl)cccc1Cl 1862667622 GWBGIFLMTXPPSQ-FQEVSTJZSA-N 432.347 6.105 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1 1862675829 UZMDLFBJWYKNBK-NYHFZMIOSA-N 435.882 5.819 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1 1862675831 UZMDLFBJWYKNBK-QRQCRPRQSA-N 435.882 5.819 30 10 IKEE CCOc1cc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2[C@H](C)CC)ccc1O 1862716245 BYOIHXUJZFAWLN-GYCJOSAFSA-N 445.515 5.321 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccc(Cl)c1 1862725546 LPFUPLFVMBLBIB-HSZRJFAPSA-N 429.903 5.771 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(Cl)cc2)C1=O 1862789798 VBJBKEBLVOAQAV-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(Cl)cc2)C(=O)N(C2CCCC2)C1=O 1863527983 BCHUGCMRNCRMEK-UHFFFAOYSA-N 431.020 6.093 30 10 IKEE CCCCCCCCNC1=C(c2ccc(OCc3ccccc3)cc2)C(=O)N(C2CC2)C1=O 1863703880 NKKXKEVNDPIVGN-UHFFFAOYSA-N 446.591 5.458 30 10 IKEE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)Nc1scc(C(C)(C)C)c1C#N 1865741028 IILQWRSOSAXDHP-UHFFFAOYSA-N 444.387 6.847 30 10 IKEE C[C@H](CC(=O)N[C@H](C(=O)Nc1ccccc1C#N)c1ccccc1)c1ccc(Cl)cc1 1866716715 YPUVCIMCIRRTJB-OSPHWJPCSA-N 431.923 5.201 30 10 IKEE Cc1ccc([C@@H](C#N)NC(=O)[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2)cc1 1867865579 AORUXGIVOSDTJD-RPBOFIJWSA-N 439.559 5.145 30 10 IKEE CCCCCCCOc1cn(CCc2ccc(C)cc2)c(CSC(C)(C)C)cc1=O 1870251720 SBNITFZPWUQBBA-UHFFFAOYSA-N 429.670 6.780 30 10 IKEE CCCCN(C)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCc1ccc(C)cc1 1870348311 SANKXMCXCRHTNK-UHFFFAOYSA-N 443.591 5.082 30 10 IKEE CCCCCCCOc1cn(CCc2ccccc2)c(CN(CCC)CCCC)cc1=O 1870409159 KDAFFEGBJLYCJV-UHFFFAOYSA-N 440.672 6.452 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2Cl)c(CN(CCC)CCC)cc1=O 1870409677 ZNQQOKRCTOFUBH-UHFFFAOYSA-N 447.063 6.521 30 10 IKEE CCCCCCCOc1cn(CCCOC(C)C)c(CN2C[C@H](C)C[C@@H](C)C2)cc1=O 1870411655 IWZHBGNBASBCEC-DHIUTWEWSA-N 434.665 5.491 30 10 IKEE C=CCn1cc(OCc2cccc(Cl)c2)c(=O)cc1CNc1ccc(F)c(Cl)c1 1870827370 LBMADOVOZLPBEH-UHFFFAOYSA-N 433.310 5.671 30 10 IKEE C=CCn1cc(OCC(=O)OC2CCCCC2)c(=O)cc1CNc1ccc(C(C)C)cc1 1871022148 AYYIDZHOFJCFSC-UHFFFAOYSA-N 438.568 5.025 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OC(=O)/C=C/c3ccc(F)cc3)cc(C)c2C1=O 1871366198 XROHUWNULQCGFW-ZLWWARENSA-N 444.458 5.768 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc(C)cc4)cc(C)c3C2=O)cc1 1871366819 NUAKCUNXTGSGBX-QIIGYZROSA-N 440.495 5.937 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3C)C2=O)c1 1871374835 FNWHFPBVXIMIRK-UUYOSTAYSA-N 445.427 5.056 30 10 IKEE Cc1c(OC(=O)Cc2ccccc2[N+](=O)[O-])ccc2c1O/C(=C\C=C\c1ccccc1)C2=O 1871376750 WCXHGDIKVQMBLM-LZNIEJQKSA-N 441.439 5.224 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4cccc(OCC(C)C)c4)cc(C)c3C2=O)cc1 1871381223 OAXBJXLMQMSKDP-MXAYSNPKSA-N 442.511 6.174 30 10 IKEE Cc1c(OC(=O)C(C)(C)Oc2ccc(Cl)cc2)ccc2c1O/C(=C\c1ccco1)C2=O 1871385118 WDPQVUOWRXITKW-MOSHPQCFSA-N 438.863 5.621 30 10 IKEE Cc1cc(O)c(CN2C[C@H](C)O[C@H](C)C2)c2c1C(=O)/C(=C/c1c(Cl)cccc1Cl)O2 1871395290 NBFQKWBWTISMIZ-WPYBYQTHSA-N 448.346 5.233 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccccc1)C2=O 1871402535 VYKFNAPVPDVVMK-UZXDDYOISA-N 441.527 5.888 30 10 IKEE Cc1ccc(OCCCOc2ccc3c(c2C)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871404786 GFSKJWHKWOSAQM-JLPGSUDCSA-N 434.919 6.421 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1ccc2c(c1C)O/C(=C\c1ccc(F)cc1)C2=O 1871429021 DZJNQAWWPGYHRZ-RGNNIMSVSA-N 440.511 6.031 30 10 IKEE C=CCN(CC=C)c1nc(=NCCC(C)C)nc(Nc2ccc(Cc3ccccc3)cc2)[nH]1 1871658412 DCVSPULGEKXGAD-UHFFFAOYSA-N 442.611 5.264 30 10 IKEE CCCCCCCCCCN=c1nc(N(CC)CC)[nH]c(=Nc2cccc3ccccc23)[nH]1 1871727968 LKISYOZPPQSURQ-UHFFFAOYSA-N 448.659 6.011 30 10 IKEE C=CCN([C@@H](CC)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1871840804 OZFGRQLMDJNDIH-QHCPKHFHSA-N 428.598 5.021 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1ccc(C)cc1 1872299993 NROPMSPJCHBMCH-QFIPXVFZSA-N 449.016 5.331 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccccc3Cl)n2)cc1C 1872764983 DAUXGEBTLZXPGO-KRWDZBQOSA-N 440.952 5.816 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)C(c3ccccc3)c3ccccc3)n2)cc1C 1872765099 HDVYRDMXVXTCQQ-JOCHJYFZSA-N 438.552 6.136 30 10 IKEE Cc1ccc(C)c(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)c1 1872772557 PZVURYSLOZLTFI-PBHICJAKSA-N 445.371 6.378 30 10 IKEE CCCCCCCOc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccccc3)n2)cc1 1872776840 ZEWFTTWBLTXYEI-QHCPKHFHSA-N 432.589 6.578 30 10 IKEE CC(=O)Oc1cccc(C(=O)[C@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)c1 1872788254 YJQVKGYSSKMLEG-INIZCTEOSA-N 431.300 5.532 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H](CC)CCCCC)=C(c2ccc(C)cc2)C1=O 1873143269 GDBHIVPTWBMLNQ-HSZRJFAPSA-N 426.645 6.384 30 10 IKEE C=CCOc1ccccc1OCC(=O)Nc1ccccc1-c1nc(-c2ccc(C)cc2)no1 1873446617 VJZFEOYXVIJABB-UHFFFAOYSA-N 441.487 5.294 30 10 IKEE C=CCN(CC=C)C(=O)c1cc2c(N(CCCC)CCCCCC)ncnc2n1CC 1873544874 AGGONLZIRDINSL-UHFFFAOYSA-N 425.621 5.452 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(OC)c2)cc2c(NCc3ccc(Cl)cc3)ncnc21 1873638128 XLFQQWLCTSWVRH-UHFFFAOYSA-N 447.926 5.144 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1ccc(C(=O)OC)cc1 1874287782 WXRGQMICKVVCPL-KOEQRZSOSA-N 440.613 5.689 30 10 IKEE Cc1cccc(CSc2nnc(CCCOc3ccccc3)n2/N=C/c2ccccc2)c1 1874317026 CJEOOCPFSWLHGF-ZXVVBBHZSA-N 442.588 5.773 30 10 IKEE CCCSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1ccc(N(CC)CC)cc1 1874331335 IAMFKYCFVONBIX-ZXVVBBHZSA-N 449.668 5.911 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OC)cc2)n1/N=C/c1cccc2ccccc12 1874349323 GRPLXUWXKQRODF-WGOQTCKBSA-N 428.561 5.581 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCCC)nnc2-c2cccs2)cc1OCC 1874423978 OFFJGOCBWAXFLX-PXLXIMEGSA-N 430.599 5.578 30 10 IKEE Cc1ccc(CSc2nnc(CC(C)(C)C)n2/N=C/c2ccc(C(F)(F)F)cc2)cc1 1874435651 QNODXXOFLNTHFY-MZJWZYIUSA-N 446.542 6.368 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874437373 XTIZFXUSKHROBF-JVWAILMASA-N 438.616 6.478 30 10 IKEE Cc1ccccc1CSc1nnc(CC(C)(C)C)n1/N=C/c1ccc(C(C)(C)C)cc1 1874437390 YKLMWMNAGHNRFX-WPWMEQJKSA-N 434.653 6.647 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2)n1/N=C/c1c(Cl)cccc1Cl 1874438628 KQGPZPHELJNCQM-ZMOGYAJESA-N 433.408 6.348 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1cc(OC)ccc1OC 1874479541 GAUSCPVOQJJNQP-ZVHZXABRSA-N 444.988 5.466 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccccc1OC 1874480211 NCVBSSLUOPWDQT-ZMOGYAJESA-N 449.407 6.111 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C2CC2)cc1OCC 1874517843 NSLPICLNAPPPJR-AFUMVMLFSA-N 440.544 5.267 30 10 IKEE Sc1nnc(CC2CCCCC2)n1/N=C/c1cccc(OCc2ccccc2Cl)c1 1874560622 HLJHBYGCWQQYPE-MFKUBSTISA-N 441.000 5.804 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccccc2)c1OCC(=O)Nc1ccc(C)c(C)c1 1874578445 OIWYNJJBWJHABE-ZRDIBKRKSA-N 449.934 5.879 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1OCc1ccc(Cl)cc1Cl 1874594497 NIDCKJHICZLZHM-KRXBUXKQSA-N 449.280 6.755 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1OCc1ccc(C)cc1 1874600861 HGKRIWFCHPJQNT-YRNVUSSQSA-N 427.327 6.786 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCc3cc(C)ccc3C)c2)c(OC)c1OC 1874601432 KUHYSPIBRXHALG-ACCUITESSA-N 432.516 5.804 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OCC(=O)Nc1ccccc1C 1874616437 ZNWUTPWELZFPJF-SDNWHVSQSA-N 445.515 5.234 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1cccc(/C=C/C(=O)c2ccc3ccccc3c2)c1 1874693711 RZZQKGWEZFYOHQ-MHWRWJLKSA-N 440.926 6.928 30 10 IKEE CCCOc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3cccc(Cl)c3)c2)cc1 1874699503 YKBNELDPWRZBNU-SDNWHVSQSA-N 434.919 6.173 30 10 IKEE CCCc1ccc(OCC(=O)Oc2cc(/C=C/C(=O)c3ccc(F)cc3)ccc2OC)cc1 1874709573 IDERILLDTYBBBC-VIZOYTHASA-N 448.490 5.667 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(O)c2Br)cc1 1874717433 SKFMIWFSUAVUHE-GXDHUFHOSA-N 447.369 6.409 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Br)cc3)cc2)c1 1875109024 SCYRJEJHBFVVLB-LFYBBSHMSA-N 435.317 6.181 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)c(C)c3)c([N+](=O)[O-])c2)c1 1875139384 GFAXODLNKUPPRD-DHZHZOJOSA-N 429.472 5.944 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)Cc1ccc(C)cc1 1875150571 UGZMECHSOSVSHM-MHWRWJLKSA-N 442.555 6.345 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc3ccccc23)cc([N+](=O)[O-])c1OC(=O)C(C)(C)C 1875154491 HQZRDUDKCLSUCJ-BUHFOSPRSA-N 447.487 5.994 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)Cc1ccc(C)cc1 1875157977 YSGNDWROJMCTRQ-MDWZMJQESA-N 434.463 5.196 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3cccc(C)c3)cc2)cc1C(C)C 1875163455 LMEGJZZTBRFVAD-SDNWHVSQSA-N 428.528 6.551 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)ccc1OC(=O)C(F)(F)F 1875164583 QENHWYCRUQPCJD-NTUHNPAUSA-N 442.389 5.851 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1[N+](=O)[O-])c1ccncc1 1875189397 OLWKUYUBIDDPTA-ORCRQEGFSA-N 443.242 5.412 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@]1(C#N)CCN(Cc2ccccc2)C(C)(C)C1 1880493573 ZFOJVBITRQALCD-MHZLTWQESA-N 433.596 5.761 30 10 IKEE C=C[C@H](C)SC(C)(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1883383983 WUANKFQJBZZTDX-BTYIYWSLSA-N 425.550 5.065 30 10 IKEE O=C(Nc1ccc(C(F)(F)F)c(F)c1)c1ccc(Br)c(C(F)(F)F)c1 1890744628 BNDOQNHCKQRDCH-UHFFFAOYSA-N 430.117 5.878 30 10 IKEE C=C(C)CN(Cc1ccccc1)c1cc2c(cc1Br)[C@@H](NCCC)C(=O)N2 1914964052 QTKBNMWESLBLFE-OAQYLSRUSA-N 428.374 5.025 30 10 IKEE C[C@H]1[C@H](Nc2ccc(C#N)c(Br)c2F)CC(C)(C)CN1Cc1ccccc1 1916245302 DUSQWTUCUPZAQQ-HNAYVOBHSA-N 430.365 5.561 30 10 IKEE CC[C@@H](NC(=O)OC(C)(C)C)[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1936068223 YDQAAENDBXBYEU-VGOFRKELSA-N 437.968 5.667 30 10 IKEE N#Cc1ccc([C@@H]2[C@@H](C(=O)O)CCN2C(=O)OCC2c3ccccc3-c3ccccc32)s1 1952856544 AZSHCNSWXRAVNS-REWPJTCUSA-N 444.512 5.016 30 10 IKEE C=C(CCNC(=O)OC(C)(C)C)CN[C@H]1CN(Cc2ccccc2)C2(CCCCC2)C1 2020316390 BEYDSGWAROZITB-HSZRJFAPSA-N 427.633 5.024 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@H](C#N)[C@]1(C)CCCN1C(=O)OC(C)(C)C 2020802593 OVSNYZMMPBOTHH-JPYJTQIMSA-N 449.979 5.763 30 10 IKEE CC(C)(C)OC(=O)NCC[C@@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 2037227911 ANMBCXPPOILFFB-DFBJGRDBSA-N 449.636 5.924 30 10 IKEE COc1ccc(C=C(C(=O)c2ccccc2)c2nc3ccccc3s2)c(OC)c1OC 2040457200 LMEJGBCXUCDHEW-UHFFFAOYSA-N 431.513 5.746 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCC)c2ccc(Br)c(Cl)c2)C1 2077089346 GTWWSHKCJBAGRC-MRXNPFEDSA-N 429.786 5.367 30 10 IKEE CCCOc1ccc([C@@H](C2CCC2)n2nc(C3CCC3)c(C=NO)c2Br)cc1 2080064092 NSGQKYBSDLFOEZ-OAQYLSRUSA-N 446.389 5.900 30 10 IKEE Fc1ccc(C(F)(F)F)nc1-c1c(C(F)(F)F)nn2c(Cl)c3c(nc12)CSC3 2081558442 VKIJGROUNXPBQY-UHFFFAOYSA-N 442.747 5.368 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CC[C@@H]2[C@@H](C1)C2(F)F 2090785847 UYMZCRFCCGDCQY-SNUQEOBHSA-N 427.289 5.518 30 10 IKEE CCn1cnc(Cl)c1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2118680851 OUPYQNRDFRAGDP-CQSZACIVSA-N 439.741 5.325 30 10 IKEE Cc1ccc(NC(=O)OC(C)(C)C)c(C(=O)N2CCC[C@H](B3OC(C)(C)C(C)(C)O3)C2)c1 2124523590 IGXGWFYJHQHKHS-KRWDZBQOSA-N 444.381 5.040 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H](CNc1cc(Br)c(C#N)cc1F)C2 2162291507 NGPGLHALPMQAJK-XMQYKBBCSA-N 438.341 5.050 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCC[C@H]2Nc2cccc(Br)c2C#N)CC1 2162397421 IMPWQYOODAQAJA-GOSISDBHSA-N 434.378 5.302 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc(CCNc2cc(Br)cc(F)c2C#N)c1 2163688664 UWNLYICVURHSGP-UHFFFAOYSA-N 434.309 5.461 30 10 IKEE CCCN(C[C@H]1CCCN1C(=O)OC(C)(C)C)c1cc(Br)c(C#N)cc1F 2174811752 BWXMWHWPCARYSG-OAHLLOKOSA-N 440.357 5.076 30 10 IKEE C=CCC[C@@](C)(CO)N(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1C 2211063399 IHEPHIMNKXWYQJ-LJAQVGFWSA-N 441.571 6.468 30 10 IKEE C=CCCCCCCC[C@@H](O)c1ccc(I)c(Br)c1 2227291788 UWWNMMRAUFNTNK-MRXNPFEDSA-N 437.159 6.004 30 10 IKEE C=C(F)C[C@H](NCCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229120549 PHVIYAYABWWJPO-ROUUACIJSA-N 429.374 5.126 30 10 IKEE C=CC[C@H](C)[C@H](NCCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237408860 BTETVLJCYZJXAD-VDGAXYAQSA-N 439.438 5.465 30 10 IKEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N(Cc1ccccc1)[C@@H](C)C(C)C 2247931627 MYBRWJJKNIOHQB-SFHVURJKSA-N 427.419 5.043 30 10 IKEE CC(C)[C@H](C)N(Cc1ccccc1)C(=O)c1cccc(Cl)c1B1OC(C)(C)C(C)(C)O1 2256106552 YZUOUKQKRNICDQ-SFHVURJKSA-N 441.808 5.326 30 10 IKEE C=CCCCCCCCCC(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2256777868 CZPWXRIICPXZGJ-UHFFFAOYSA-N 443.628 6.316 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(Nc2cccc(Br)c2)C[C@@H]1C(F)(F)F 2294637922 WPPVLWIYQIDGJP-PBHICJAKSA-N 448.283 5.085 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H](C(C)(C)C(=O)C#Cc2ccc(Br)cc2)C1 2296226624 HFMKKAPWSYYBHZ-KRWDZBQOSA-N 434.374 5.043 30 10 IKEE Cc1ccc(-c2nn(-c3cccc(C)c3)cc2C=NNC(=S)Nc2cccc(F)c2)cc1 2296405103 MLXJALRXAYVFJA-UHFFFAOYSA-N 443.551 5.616 30 10 IKEE CCn1cc(C=C2Oc3cc(OS(=O)(=O)c4ccccc4)ccc3C2=O)c2ccccc21 2296602899 GMYIKSWZXHAZKK-UHFFFAOYSA-N 445.496 5.045 30 10 IKEE CCc1ccc(N=C2SC(=Cc3cccc(OC)c3)C(=O)N2c2ccc(CC)cc2)cc1 2296826760 OGDLPSCUKHXIFJ-UHFFFAOYSA-N 442.584 6.629 30 10 IKEE C=C(C)CSc1nnc(C2CC2)n1N=Cc1ccc(OCc2ccccc2)c(OCC)c1 2320850151 PIERTSJTZKLEQF-UHFFFAOYSA-N 448.592 5.684 30 10 IKEE Oc1ccc(Cl)cc1C=Nn1c(SCc2cccc3ccccc23)nnc1C1CC1 2320869779 VWUMXDDFILJXQA-UHFFFAOYSA-N 434.952 5.842 30 10 IKEE CCOc1cc(C=NNc2ccc(Br)cc2)ccc1OCc1ccc(C)cc1 2321718069 RMMRBVMGINXMTQ-UHFFFAOYSA-N 439.353 6.181 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(S)nnc1CC12CC3CC(CC(C3)C1)C2 2322183655 BIJNEQOZIUUQPE-UHFFFAOYSA-N 432.593 5.370 30 10 IKEE CCc1ccc(NC(=O)COc2c(C=CC(=O)c3cc(C)ccc3C)cccc2OC)cc1 2322624126 UZYSIMDEIWZTAL-UHFFFAOYSA-N 443.543 5.788 30 10 IKEE Cc1cc(OC(=O)c2cccs2)cc2c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O2 2322667582 DQXAINIIMGVHLL-UHFFFAOYSA-N 431.296 6.199 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1OCc1ccc(Cl)cc1 2323149631 YDGXVJQCZZXHQI-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE O=C(C=Cc1ccc(Cl)cc1)Oc1ccc2c(c1)OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2323318046 TUFPESLDWOCVPN-UHFFFAOYSA-N 447.830 5.483 30 10 IKEE CCCOc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C)o2)C3=O)cc1 2323460286 SGLXUPNHYHMCPT-UHFFFAOYSA-N 430.456 5.612 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(OC)c2)cc(OC)c1OCc1ccccc1 2323460450 LYOQTHNPHNTKCQ-UHFFFAOYSA-N 444.527 5.916 30 10 IKEE CCCCCCOc1ccc(C=Nn2c(S)nnc2Cc2ccc(F)cc2)cc1OC 2323553113 XADKSVURAWQMLT-UHFFFAOYSA-N 442.560 5.147 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1C 2323561393 LPMHTWJPTJRSGB-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE CCCCCCCCCOc1ccc(C=NNC(=S)NCc2ccccc2)cc1Cl 2323840485 JKXGBAOOUNPITD-UHFFFAOYSA-N 446.060 6.468 30 10 IKEE COc1cc(C=NNc2nc(C)c(C)s2)cc([N+](=O)[O-])c1OCc1ccccc1C 2323873096 SEEMZZMJGLECHM-UHFFFAOYSA-N 426.498 5.010 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 2323887689 RYLBPRUSNQFBKX-UHFFFAOYSA-N 446.261 6.516 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Cl)c1OCCc1ccccc1 2324234714 CTUOBFZCOIPDSR-UHFFFAOYSA-N 428.862 6.144 30 10 IKEE C=CCOc1c(Br)cc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1OC 2324305756 XVPDUPQBLNUORZ-UHFFFAOYSA-N 431.326 5.544 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)Nc2ccc(F)cc2)cc2c1C(=O)C(=Cc1ccccc1F)O2 2324317583 NNHQBOYSKXLALV-HNNXBMFYSA-N 435.426 5.295 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2cc(Cl)c(OCCCO)c(OCC)c2)c1 2324394962 BQHVCBCWIGIIGB-UHFFFAOYSA-N 448.943 5.193 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3cccc(F)c3)c([N+](=O)[O-])c2)c(OC)c1 2324474150 WHZCGHRFANUGKQ-UHFFFAOYSA-N 437.423 5.226 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cc(OC)c(OCc3ccccc3C)c(OC)c2)cc1C 2324630955 XZHZBMUBSNQGIW-UHFFFAOYSA-N 446.543 6.113 30 10 IKEE CC(C)(C)c1ccc(OCCOc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1 2324685714 DWJQUORIFDQMEJ-UHFFFAOYSA-N 440.539 6.614 30 10 IKEE C=C(C)COc1c(OCC)cc(C=CC(=O)c2cc(Cl)ccc2OC)cc1[N+](=O)[O-] 2324705895 DXWAKFYEQWBMLS-UHFFFAOYSA-N 431.872 5.507 30 10 IKEE COC(=O)c1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc1 2324726186 XIACRVAHQGJIFE-FQEVSTJZSA-N 446.528 5.112 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OCC(=O)Nc3ccc4ccccc4c3)c2C)C1=O 2324962924 DIMSBWMSVBUSNQ-UHFFFAOYSA-N 449.506 6.090 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(OC)cc1 2325571569 FZEPTXHXWOXZER-UHFFFAOYSA-N 435.380 5.721 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3cccc(C)c3C)c2)cc1OC 2325703456 AXSXFFGIJSMPTG-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1OC(=O)c1ccc(C)cc1 2325708097 PONOPUUFTFHOLC-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE O=C(Oc1cccc(C=CC(=O)c2ccccc2Cl)c1)c1cccc(Br)c1 2325717707 VQFSIHQLLQTAHQ-UHFFFAOYSA-N 441.708 6.218 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2cccc(C=CC(=O)c3ccc(OC)cc3)c2)cc1 2325719422 YQUQIABIUOTKEG-UHFFFAOYSA-N 444.527 5.918 30 10 IKEE COc1ccccc1C(=O)C=Cc1cccc(OC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 2325724217 WXKQPXNEHZUBJU-KRWDZBQOSA-N 436.891 5.618 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)CCc3ccccc3C)c2)cc1 2325739521 IVMCWKYJLZIGFR-UHFFFAOYSA-N 428.528 6.218 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cccc(OC(=O)c2ccccc2[N+](=O)[O-])c1 2325757843 HLKRIZGLSXEKOQ-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE Cc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1c(C)n(C)c2ccccc12 2326569947 PPWUVSGTFFBTGU-UHFFFAOYSA-N 427.936 5.354 30 10 IKEE CC(C)COc1ccccc1C=Nn1cnnc1SCc1ccc(Br)cc1 2326606286 DJKSRQRIEITAOU-UHFFFAOYSA-N 445.386 5.250 30 10 IKEE Cc1ccc(OCc2nnc(SCCc3ccccc3)n2N=Cc2cccs2)c(C)c1 2328902938 OYMIICRHQJFRBP-UHFFFAOYSA-N 448.617 5.752 30 10 IKEE COc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2ccccc2)cc1 2329280893 CFWJPIBGMPMRDW-UHFFFAOYSA-N 428.561 5.095 30 10 IKEE CCc1ccc(C=Nn2c(Cc3ccccc3F)nnc2SCc2ccc(F)cc2)cc1 2329703519 OVTAAIIHMZPUJO-UHFFFAOYSA-N 448.542 5.884 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2F)n1N=Cc1ccc(F)cc1 2330108753 QOHRXBHTSBDSEO-QGZVFWFLSA-N 434.515 5.883 30 10 IKEE CCOc1cccc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccccc2C)c1 2330232686 UQFAAVMGGXOPTP-UHFFFAOYSA-N 448.636 6.283 30 10 IKEE C(=Nn1c(Cc2cccs2)nnc1SCc1cccc2ccccc12)c1ccc[nH]1 2330418966 PPYCZDRNGIEWHX-UHFFFAOYSA-N 429.574 5.586 30 10 IKEE Cc1ccc(C=Nn2c(Cc3cccs3)nnc2SCc2ccc(Cl)cc2)cc1 2330422748 WPPRVPMFBDCCJJ-UHFFFAOYSA-N 439.009 6.067 30 10 IKEE Clc1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccc[nH]2)cc1Cl 2330511024 FVYGTFNPOPMKQI-UHFFFAOYSA-N 442.375 5.678 30 10 IKEE O=[N+]([O-])c1cccc(C=Nn2c(SCc3ccc(F)cc3)nnc2-c2cccs2)c1 2330540323 WGVJNNPKNNVWBV-UHFFFAOYSA-N 439.497 5.228 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(SCCc3ccccc3)nnc2-c2ccccc2)cc1 2330676099 NIKGXFXSODVJRI-UHFFFAOYSA-N 440.616 6.460 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(Br)c3)cc2)cc1 2330740799 XQDCXZISKSPPME-UHFFFAOYSA-N 435.317 6.127 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cc(C)ccc3C)cc2)cc1 2330824504 CKQAUACPNWLTEJ-UHFFFAOYSA-N 426.556 6.690 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)(C)C)n2N=Cc2ccccc2C(=O)O)c1 2330846550 GHISFKOVQRPSSD-UHFFFAOYSA-N 436.581 5.356 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(C)c2)cc(OC)c1OC(=O)c1cccs1 2330879260 KBVZZUOOZIEPGF-UHFFFAOYSA-N 448.540 5.918 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@@H]2CCCO2)c(Cl)c1)c1cccc(Br)c1 2331002200 QTQZVQPOKNZIHB-IBGZPJMESA-N 435.701 5.083 30 10 IKEE CCSc1nnc(C(F)(F)F)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2331129544 CDHRJOZQIBPZID-UHFFFAOYSA-N 440.878 5.524 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1)c1ccccc1 2331170377 DTTSPWRSPDQJRG-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccccc3Cl)nnc2-c2ccco2)c1O 2331210575 SEUIIZYYAUIHFC-UHFFFAOYSA-N 440.912 5.080 30 10 IKEE COc1ccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2-c2ccco2)c(OC)c1 2331210597 WZURHXOVMCVKIV-UHFFFAOYSA-N 448.548 5.347 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc([N+](=O)[O-])c1OC(=O)c1ccncc1 2331229758 DOXOMBLYNJUNHN-UHFFFAOYSA-N 446.459 5.121 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)Cc1ccccc1 2331421849 XEVOFUAKLMTCIW-UHFFFAOYSA-N 442.555 6.427 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC(=O)[C@H]1CCCO1 2331429497 AXYHQTNCKIVABI-XMMPIXPASA-N 448.559 5.702 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)C(F)(F)F)c(Cl)c1 2331547909 QCVPNVVUKWBOHB-UHFFFAOYSA-N 440.845 6.010 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(F)c3)cc2)CC1 2331554919 PEORIJBNVSLEMM-UHFFFAOYSA-N 426.503 6.763 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(Cl)c2)ccc1OC(=O)C(F)(F)F 2331834579 AGLIHJNWBJWZER-UHFFFAOYSA-N 428.790 5.111 30 10 IKEE CC#CCN(C[C@@H](NCC)c1cc(Cl)cc(Br)c1F)C(=O)OC(C)(C)C 2337900174 BZPLEQAPJVQCOD-MRXNPFEDSA-N 447.776 5.153 30 10 IKEE O=C1/C(=C\c2ccc(-c3ccccc3)cc2)CCC/C1=C/c1ccc(-c2ccccc2)cc1 3177719 MXKYVDMQCYMRGK-USBDYYCYSA-N 426.559 8.241 30 10 IKEE CCCCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cccc(F)c2)C2=C1CC(C)(C)CC2=O 9775627 FPUAGTAPWAXYEE-UHFFFAOYSA-N 437.599 6.702 30 10 IKEE C/C(=C1/S/C(=N/c2nccs2)N(C2CCCCC2)C1=O)c1ccc([N+](=O)[O-])cc1 39865132 AUUOKNJOVCSQKY-NDINLBLUSA-N 428.539 5.378 30 10 IKEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cn(C)c4ccccc24)C3=O)cc1 41285408 UNQFELQOXRZEEN-CFRMEGHHSA-N 439.467 5.331 30 10 IKEE Cc1cc(Br)c(/N=C2/N[C@@]3(CCC[C@H](C)C3)CS2)c(Br)c1 53098459 WLRKAYRSGWFSBE-MGPLVRAMSA-N 432.225 5.793 30 10 IKEE Cc1cc2c(cc1/C=C1/S/C(=N/Cc3ccccc3)N(Cc3ccccc3)C1=O)OCO2 59246131 NYAFLDVDPMCYRV-LTLXJJSKSA-N 442.540 5.396 30 10 IKEE CCCCCCCOc1ccc(NC(=O)CNc2ccccc2OCCOCC)cc1 100088458 FJRNPQVQYNJQJR-UHFFFAOYSA-N 428.573 5.502 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2ccccc2OCC(C)C)cc1 100215820 PUVDJYWKPUQQFN-UHFFFAOYSA-N 442.625 6.197 30 10 IKEE C=C(C)COc1cccc(NC(=S)NC(=O)CCCCCCCCCCCCC)c1 100443979 GMSRBQQOCYNYKY-UHFFFAOYSA-N 432.674 7.156 30 10 IKEE C=CCN1C(=O)/C(=C\c2c(-c3ccc(C)cc3)nc3sc(CCC)nn23)SC1=S 102470992 AYLNVJYUHBVBTJ-FOWTUZBSSA-N 440.619 5.106 30 10 IKEE O=C1/C(=C\c2ccc(-c3ccccc3)cc2)Oc2cc(OC/C=C/c3ccccc3)ccc21 102726167 QWISISPZCXFDHG-QAIJYUPVSA-N 430.503 7.062 30 10 IKEE N#Cc1ccc(CSc2nnc(NC(=O)C3(c4ccc(Cl)cc4)CCC3)s2)cc1 104688568 SUDOSCPJCKVHCF-UHFFFAOYSA-N 440.981 5.416 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OCc1ccc([N+](=O)[O-])cc1 164504288 RRKFSRGHRYRJOH-RIYZIHGNSA-N 439.467 6.232 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2cccc(OC)c2)cc1 169931318 UZQHMDQSDZWRAU-QHCPKHFHSA-N 447.918 5.694 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2cccc(C)c2)cc1 169970070 GECHELWPZHBWLG-HSZRJFAPSA-N 431.919 5.994 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@@H]2c2cccs2)cc1 169986304 BLTCEQGTVHSENQ-HSZRJFAPSA-N 441.508 5.693 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@H]2c2ccncc2)c1 170021013 RCSNRWIEBCZMDP-VWLOTQADSA-N 434.495 5.635 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1)c1cccc(Cl)c1 170057823 FSOPEBYQFZCWAK-FQEVSTJZSA-N 442.273 5.915 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccc(F)cc2)c1 170062343 SEGDIBKBZYDQDC-DEOSSOPVSA-N 445.490 5.624 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2ccco2)cc1 170090987 OISCKLULNCCYCW-QHCPKHFHSA-N 443.499 5.295 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccc(N(C)C)cc2)o1 170099923 TZAQCKFZHSSFNX-QHCPKHFHSA-N 442.471 5.183 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C2CCCC2)cc1 170117025 KOIZLUUQXJSHNI-DEOSSOPVSA-N 427.500 5.369 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1ccccc1OC 170125567 URIKZHWBBJEVAJ-QHCPKHFHSA-N 437.536 5.251 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)c(Cl)c2)[C@@H]1c1cccc(C)c1 170147083 CRNGKXKGYZPGPU-SFHVURJKSA-N 434.319 5.299 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccs2)c1 170162367 AVIOQUUWNGIYGM-LJQANCHMSA-N 443.908 5.172 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccn2)ccc1OCC(C)C 170179406 OBVPTRNUQJJILM-XMMPIXPASA-N 448.563 5.336 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccccn1)c1cccc2ccccc12 170182441 RATOLTVFVBJDPU-DEOSSOPVSA-N 438.458 5.152 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC)c2)[C@H]1c1cccc(OCC)c1 170218302 USZKNFFYFYLKET-HSZRJFAPSA-N 437.536 5.253 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccccc2)c1 170234192 ROQFCCPJOXROJS-XMMPIXPASA-N 445.490 5.391 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@@H]1c1ccc(F)cc1 170243146 AKQGJZOSNAJCNU-QFIPXVFZSA-N 439.527 5.510 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1cccc(O)c1 170263604 QGIARRAORLQZIB-NRFANRHFSA-N 439.895 5.560 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1c1cccc(F)c1 170270843 CKGIQAMYXAFFKW-VWLOTQADSA-N 437.470 6.070 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccco2)cc1Cl 170285928 UAGFLPFQRPWTLO-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)cc(C)c3OC)[C@@H]2c2ccc(C)o2)cc1 170300643 YBYNEGKKCZMXOK-QHCPKHFHSA-N 445.515 5.559 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccc(C)o2)c1 170303381 OHNPXHJEVSNWFY-NRFANRHFSA-N 437.879 5.423 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)[C@H]1c1ccc(F)cc1)c1ccccc1 170377660 YSLLCJIQMVGYGZ-FQEVSTJZSA-N 441.380 5.627 30 10 IKEE CCC[C@@H]1S/C(=N/N=C/c2cccc3ccccc23)N(Cc2ccc(OC)cc2)C1=O 229295288 FFUJAZBXOGCWLY-LPKHAAKTSA-N 431.561 5.483 30 10 IKEE Cc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3F)C(C#N)(C#N)[C@@H]3c4ccccc4C=CN23)cc1 252617897 LATHMBIBTZXTOU-KLJDGLGGSA-N 433.486 5.544 30 10 IKEE CC(C)(C)c1cc(C=Nc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1 254525631 VQMXJHZLERTDKF-UHFFFAOYSA-N 437.668 8.038 30 10 IKEE SC[C@@H]1CN(Cc2ccccc2)C[C@@H]1c1cc(Br)cc(Br)c1 382727072 RCGJTRHFVPTTDW-MAUKXSAKSA-N 441.232 5.357 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(Sc3ccccc3)C2=O)c(C)c1 526659557 UHKIPAIBGLRMEP-UHFFFAOYSA-N 425.513 5.164 30 10 IKEE CCCCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 526773601 TUZHPHYHBBDPDG-XMMPIXPASA-N 445.946 6.466 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1ccc(OC(C)C)c(Cl)c1 526802085 BEHNQOSOUDVXBZ-MXAYSNPKSA-N 446.979 5.985 30 10 IKEE COc1ccc(CN(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 586143622 YFFCLPNQXBYNMG-UHFFFAOYSA-N 448.588 5.255 30 10 IKEE Cc1cc(C)cc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 586244068 ZPUWJQJEEUZDCK-UHFFFAOYSA-N 445.371 5.877 30 10 IKEE N#Cc1cccc(NC(=O)Nc2cccc(C(=O)Nc3ccc(Br)cc3)c2)c1 586729613 WGFWXGZDEGCKSC-UHFFFAOYSA-N 435.281 5.217 30 10 IKEE C=C(C)C[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCCC 686827855 QXDIUKAVGICYCG-HSZRJFAPSA-N 429.649 5.270 30 10 IKEE C[C@H](C[C@H]1CCCCCN1C(=O)OC(C)(C)C)Nc1ccc(Br)c(C#N)c1 690216403 IQEJYFFTJPJOTE-CRAIPNDOSA-N 436.394 5.691 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CC[C@H](C)N(C(=O)OC(C)(C)C)C2)c1 698416554 ATSHCHNAPYXPNU-MHECFPHRSA-N 429.561 5.418 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H](CNC(=O)OC(C)(C)C)C(C)C 698420512 VBMJFULHKAIDFI-AZUAARDMSA-N 431.577 5.426 30 10 IKEE CCCCCCCCCC[C@H](CN(Cc1ccccc1)C(=O)OC(C)(C)C)NCCC 701375149 CRLNBWSXKTZIRK-RUZDIDTESA-N 432.693 7.323 30 10 IKEE CCCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc([N+](=O)[O-])cc2)cc1 917613164 LZEMSZRTQRHDSY-UHFFFAOYSA-O 445.524 5.030 30 10 IKEE Cc1ccc(CSc2nc3ccc(N=Cc4ccc(O)c([N+](=O)[O-])c4)cc3s2)cc1 1084433542 NMRBPHKIBDMRIA-UHFFFAOYSA-N 435.530 6.261 30 10 IKEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1539919256 YPNQEQMKLNFOGC-UHFFFAOYSA-N 434.588 5.213 30 10 IKEE Cc1ccc(C(=O)ON=C2C[C@@]3(C(=O)Nc4cccc(Cl)c4)CC[C@@]2(C)C3(C)C)cc1 1772722724 QUPKBIUCFCDEDI-JWQCQUIFSA-N 438.955 6.016 30 10 IKEE Cc1ccc(-n2cc(/C=N\NC(=S)Nc3cccc(F)c3)c(-c3ccccc3)n2)cc1C 1857807816 AXRJXTWCRKDAIX-DICXZTSXSA-N 443.551 5.616 30 10 IKEE N#Cc1cccc(C(=O)Oc2cccc3c(NC(=O)c4cccnc4Cl)cccc23)c1 1858931072 FNRKVBRYUCQASL-UHFFFAOYSA-N 427.847 5.231 30 10 IKEE CCCCCCCCCNC(=O)[C@@H](C)Oc1ccc2c(CCCC)cc(=O)oc2c1C 1860259264 XRECSYHHSZDCFS-HXUWFJFHSA-N 429.601 6.078 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(O)cc2)cc1 1862390220 YHMCQSZACQUEGH-RUZDIDTESA-N 441.527 5.513 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@@H]1c1ccc(OC)cc1 1862391901 KVLKMTSFCQFCFO-VWLOTQADSA-N 449.591 6.196 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862414302 WVJLHZZTNBSWDV-DEOSSOPVSA-N 447.481 5.614 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1Cl)c1ccccc1Cl 1862433345 ZSWOWQKNAUZBSR-HXUWFJFHSA-N 430.331 5.904 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1C1CCCCCCC1 1862442834 LXAVPTOKOZLPIE-HSZRJFAPSA-N 437.967 6.340 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)c1 1862444561 AWJZQJPLIVIXQC-RBQRDFNRSA-N 439.939 5.506 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCC2)cc1 1862449158 DLTBKKKLUVUUQF-JOCHJYFZSA-N 437.967 6.158 30 10 IKEE CCN(CC)CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1C 1862475094 DAYAUDCAMJJQRX-DEOSSOPVSA-N 434.580 5.004 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2c(F)cccc2Cl)cc1 1862480866 QNBHJBSPODAZBB-YIFZBPKDSA-N 441.930 5.945 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 1862481306 BUUNQVRXFVDZGH-FQEVSTJZSA-N 447.453 5.017 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862488256 UTJXPVUCJSTFKV-FQEVSTJZSA-N 442.899 5.325 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2cccc(Cl)c2)c1 1862491375 RHMMNAZHSXSVPX-QHCPKHFHSA-N 437.967 6.258 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccccc2Cl)c1 1862491569 WGXQPBAKQBZDBF-XMMPIXPASA-N 445.946 5.778 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2Cl)ccc1F 1862502480 AZEVZCKQZIDALU-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccccc2)c1 1862544071 VWSJJLGWIAXDAC-SANMLTNESA-N 437.539 5.652 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(C(C)(C)C)cc2)=C(O)C(=O)N1CCOC(C)C 1862613819 QTCAIZCXWSHJDI-QHCPKHFHSA-N 435.564 5.296 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1ccc(CC)cc1 1862637790 MEVVUSUYGDPPMB-HSZRJFAPSA-N 439.527 5.555 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(C(F)(F)F)cc1 1862655547 KTNYLTBTPIEGLO-OAQYLSRUSA-N 439.433 5.847 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C(C)C)cc3)[C@@H]2c2cccc(O)c2)cc1 1862663754 WGAHKKUKVOHVPR-VWLOTQADSA-N 441.527 5.603 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc3ccccc23)cc1 1862692228 HMUJEVNICFTZKE-RUZDIDTESA-N 441.527 5.759 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(C(C)C)cc2)c1 1862701966 QVOQIMFMERGNCJ-DEOSSOPVSA-N 433.548 5.730 30 10 IKEE N#Cc1cccc(N2C(=O)C(Nc3ccccc3Cl)=C(c3cccc4ccccc34)C2=O)c1 1862850381 QFDOSODRFPZHSD-UHFFFAOYSA-N 449.897 5.761 30 10 IKEE N#Cc1ccc(NC2=C(c3cccc4ccccc34)C(=O)N(c3ccccc3Cl)C2=O)cc1 1862852029 SMNKDTURSRKPPR-UHFFFAOYSA-N 449.897 5.761 30 10 IKEE Cc1cc(Cl)ccc1NC1=C(c2ccccc2F)C(=O)N(c2cccc(C#N)c2)C1=O 1862926980 GOIKWJJJNBREGE-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(CCCC)cc2)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863277747 JUBFPDJMTFMCQN-UHFFFAOYSA-N 429.347 5.714 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2OC(C)C)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863281866 ACAFUQCTIQFNHU-UHFFFAOYSA-N 431.319 5.159 30 10 IKEE CCC[C@@H](NC(=O)C[C@@H](c1ccc(Cl)cc1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866751262 VEJQKHGZLJPEBA-FGZHOGPDSA-N 425.960 5.265 30 10 IKEE CC[C@](C)(NC(=O)C[C@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1ccc(C#N)cc1 1866783782 RTBMGVWKODEECG-SQHAQQRYSA-N 443.522 5.143 30 10 IKEE C[C@H](CC(=O)N[C@@H](C(=O)Nc1ccc(C#N)cc1)c1ccccc1)c1cccc(Cl)c1 1867188621 XDMCXMWZACEAOH-MZNJEOGPSA-N 431.923 5.201 30 10 IKEE CC(C)[C@@H]1c2[nH]cnc2CCN1c1cc(Nc2ccc(C#N)cc2)nc(Cc2ccccc2)n1 1868220247 ZHJDHMJVWJYXDP-HHHXNRCGSA-N 449.562 5.166 30 10 IKEE Cc1ccc(-c2nc(Nc3ccccc3C#N)cc(N3CCO[C@H](c4ccccc4)C3)n2)cc1 1868326691 GFSMAVCISYZFRZ-VWLOTQADSA-N 447.542 5.645 30 10 IKEE N#Cc1cccc(Nc2cc(N3CCc4ccc([N+](=O)[O-])cc43)nc(-c3ccccc3)n2)c1 1868354901 QVYRYTDCYFCPQD-UHFFFAOYSA-N 434.459 5.361 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](CCSC)NC(=O)[C@@H](c1ccc(Cl)cc1)C1CCCC1 1868872139 LCZFBFBVWBDJQJ-FCHUYYIVSA-N 449.060 5.052 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3[nH]c4c(OC)cccc4c3C2)nc(C(C)(C)C)n1 1869189043 BANJTJXDEXYUOC-UHFFFAOYSA-N 431.584 5.005 30 10 IKEE CCCCN(CCCC)c1nc(NC(=O)c2cccc(C#N)c2)n(-c2ccc(C)cc2)n1 1870020912 AOTGSVNKTPOAQK-UHFFFAOYSA-N 430.556 5.106 30 10 IKEE CC(C)=CCOc1cn(CCC(C)C)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870166663 DUSKJIRGDYSDNQ-UHFFFAOYSA-N 439.625 5.724 30 10 IKEE C=CCn1cc(OCC(=O)Nc2cc(C)ccc2C)c(=O)cc1CSc1ccc(C)cc1 1870214983 MMSWRLFCYQAXJT-UHFFFAOYSA-N 448.588 5.269 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(F)cc2)c(CSc2ncccn2)cc1=O 1870251684 QINJVYQGSKGDQD-UHFFFAOYSA-N 441.572 5.467 30 10 IKEE CCCCCCCOc1cn(CCCOC(C)C)c(CNc2cccc(F)c2)cc1=O 1870837394 DFVXKSQHLXYJAF-UHFFFAOYSA-N 432.580 5.764 30 10 IKEE C=CCn1cc(OCc2cccc(C)c2)c(=O)cc1CNc1cccc(C(F)(F)F)c1 1871069351 FWGMODGGSZXYJU-UHFFFAOYSA-N 428.454 5.553 30 10 IKEE CCCCCCCCN=c1nc2c(cnn2C)c(Nc2ccc(Br)cc2C)[nH]1 1871295548 RJCVNUARTCLDJN-UHFFFAOYSA-N 445.409 5.372 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(C2CCCCCC2)C4)c1 1871352133 RFCVVAWYPFDKJR-OYKKKHCWSA-N 449.547 5.503 30 10 IKEE C[C@H](N1COc2ccc3c(c2C1)O/C(=C\c1ccco1)C3=O)C12CC3CC(CC(C3)C1)C2 1871354027 FETZUKNGTQDNEM-CDONTGMYSA-N 431.532 5.653 30 10 IKEE COc1ccc(CCC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)o2)C3=O)cc1OC 1871367255 BNLRJVUMSLDZQY-QRVIBDJDSA-N 448.471 5.068 30 10 IKEE Cc1ccc(OCCCCOc2cc(C)c3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871404163 FMSDYGRIHVJDKP-XYGWBWBKSA-N 448.946 6.811 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccccc4Cl)c3C)C2=O)c1 1871405065 MVVQGTYDTCMTNS-PGECNJAHSA-N 447.918 5.979 30 10 IKEE Cc1c(Cl)cccc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccncc1)C2=O 1871407846 SMTXCYYZTMMIBN-NXUSMQHESA-N 448.906 5.374 30 10 IKEE C=CCN(CC=C)c1nc(=NCCCCCC)nc(Nc2ccc(N3CCCCC3)cc2)[nH]1 1871609271 COIQYCGYVJRZSD-UHFFFAOYSA-N 449.647 5.198 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(CC)cc1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872101164 YYXPQRUZAVQXPW-MHECFPHRSA-N 442.625 5.096 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4nc(C)c(C)nc4c3)n2)cc1 1872765603 SIEYRQWWRCJVFW-NRFANRHFSA-N 440.572 6.203 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3sccc3C)n2)cc1OCCC 1872767742 ZHAGNNACRVEAKG-KRWDZBQOSA-N 440.590 6.248 30 10 IKEE CC(C)Oc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3cccc4ccccc34)cs2)cc1 1872775065 JIZCZMGLMXINGI-HSZRJFAPSA-N 426.541 6.169 30 10 IKEE COc1ccc(CC(=O)[C@H](C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1 1872777371 LVNWXZKSJFHADE-FQEVSTJZSA-N 434.561 5.544 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)c2ccc(OC(C)=O)cc2)n1 1872777912 ZCOVBBOSAAFTBE-HXUWFJFHSA-N 448.544 5.532 30 10 IKEE CCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 1872779972 WFZKMESUIDTGHZ-QHCPKHFHSA-N 440.524 6.491 30 10 IKEE CCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1 1872782623 LQRQUSCMZRFQDX-MRXNPFEDSA-N 442.924 5.369 30 10 IKEE COc1ccc(OC)c(CC(=O)[C@H](C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)c1 1872785328 KTPSKKBRINZTJF-NRFANRHFSA-N 448.588 5.852 30 10 IKEE COc1ccc(OC)c(CC(=O)[C@@H](C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)c1 1872785329 KTPSKKBRINZTJF-OAQYLSRUSA-N 448.588 5.852 30 10 IKEE Cc1sc(C2=C(N)N(c3ccc(Cc4ccccc4)cc3)CC2=O)nc1-c1ccccc1 1872796413 ZEQPYUGJEMRYPW-UHFFFAOYSA-N 437.568 5.426 30 10 IKEE C=CCNC1=C(c2cccc3ccccc23)C(=O)N(C2CCCCCCCCCCC2)C1=O 1873027416 WKECLILDUFDSCC-UHFFFAOYSA-N 444.619 6.369 30 10 IKEE C=CCNC1=C(c2cccc(Br)c2)C(=O)N(CCCCCCCCCC)C1=O 1873053695 KJCHWEYAQRTLJK-UHFFFAOYSA-N 447.417 5.445 30 10 IKEE N#Cc1ccc(NC2=C(c3cccc(Cl)c3Cl)C(=O)N(C3CCCCC3)C2=O)cc1 1873338349 RZFJLAQAAXEHQO-UHFFFAOYSA-N 440.330 5.390 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(CCCC)cc2)cc2c(NCc3ccco3)ncnc21 1873623464 DDMWZFNTAVSZIQ-UHFFFAOYSA-N 429.524 5.417 30 10 IKEE C=C(C)Cc1c(C)nn(CCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C 1874180973 AXQZHWQIPRSWEL-UHFFFAOYSA-N 433.396 5.685 30 10 IKEE CCCOc1ccc(/C=N/n2c(CCCOc3ccccc3C)nnc2SCC)cc1 1874249993 PPLKIQMKBMFMMC-XIEYBQDHSA-N 438.597 5.381 30 10 IKEE CCCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1c[nH]c2ccccc12 1874255925 PNASWPPJHDYZQB-VULFUBBASA-N 433.581 5.648 30 10 IKEE C=CCSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1ccc(C(C)C)cc1 1874259382 WQGNZDGXYGIEGV-YZSQISJMSA-N 434.609 6.093 30 10 IKEE C=CCSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccc(C(C)(C)C)cc1 1874267542 CIIOKKFKTQNMMF-MFKUBSTISA-N 441.000 5.968 30 10 IKEE Fc1ccc(CSc2nnc(COCc3ccccc3)n2/N=C/c2cccs2)cc1 1874353138 SWUJCFWDTXPTTC-ZMOGYAJESA-N 438.553 5.370 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccccc2F)n1/N=C/c1ccc(O)cc1 1874373183 AZYREXCUJQLVPN-CVKSISIWSA-N 432.524 5.197 30 10 IKEE C=C(C)CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874395712 TVYIBJRJAQHZJN-AQXNZCSYSA-N 441.944 5.542 30 10 IKEE CCc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccc(C)cc2)cc1 1874405441 XYHMAGGOKHBYBU-OVVQPSECSA-N 432.637 6.446 30 10 IKEE CC(C)(C)c1nnc(SCc2ccccc2F)n1/N=C/c1c(Cl)cccc1Cl 1874484055 CMZOGEKRBHVNMB-BHGWPJFGSA-N 437.371 6.196 30 10 IKEE CC(C)Cc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(C(=O)O)cc1 1874491525 VYFSOVGLFYAZDB-FSJBWODESA-N 428.945 5.003 30 10 IKEE COc1cc(/C=N/n2c(SCc3ccccc3)nnc2C2CCC2)ccc1OC(C)C 1874495382 IKVVMSAZXNOCHQ-MFKUBSTISA-N 436.581 5.516 30 10 IKEE Clc1cccc(CSc2nnc(C3CCC3)n2/N=C/c2ccc3c(c2)OCCO3)c1 1874497535 OADPKZMBKAJTQX-ZMOGYAJESA-N 440.956 5.145 30 10 IKEE CC(C)c1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1c(Cl)cccc1Cl 1874508967 FCEFQIQAFAGVOU-FOKLQQMPSA-N 448.379 5.321 30 10 IKEE Cc1ccc(COc2ccc3ccccc3c2/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1 1874571840 JAPNUNBNBSJMKX-ISLYRVAYSA-N 432.563 7.502 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1OCC(=O)OCC(C)C 1874579512 RYIUMHNMHJMBDL-CSKARUKUSA-N 437.319 5.476 30 10 IKEE CCOC(=O)c1ccc(COc2cccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)c2)o1 1874599442 MZMWGVGUUVTEQT-ZRDIBKRKSA-N 432.516 6.165 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1cccc(OCc2ccccc2Cl)c1 1874600715 ZKDJMWAZAWHJSJ-ZHACJKMWSA-N 427.327 6.786 30 10 IKEE Cc1cccc(COc2ccc(/C=C/C(=O)c3ccc(-c4ccccc4)cc3)cc2[N+](=O)[O-])c1 1874601417 KIBJCIJZCZONBI-MHWRWJLKSA-N 449.506 7.045 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OCc3ccccc3C)c(Br)c2)c1 1874604932 ANSQMUJOCJVJHD-ZRDIBKRKSA-N 437.333 6.241 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(OC)ccc2OC)ccc1OCc1ccccc1C 1874620450 AZLRCFURYFJALQ-JLHYYAGUSA-N 432.516 5.886 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3F)c([N+](=O)[O-])c2)c(C)c1C 1874626574 LQJODYWDBQDBCT-DHZHZOJOSA-N 435.451 5.834 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(C)c3)c([N+](=O)[O-])c2)cc1Cl 1874636065 HLTAFYRDTIAPOK-RMKNXTFCSA-N 437.879 6.040 30 10 IKEE CCCCCCCOc1ccc(C(=O)CCN2CCN(c3ccc(OC)cc3)CC2)cc1 1874690043 ISGKOGIJXLIBPJ-UHFFFAOYSA-N 438.612 5.439 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1OC(=O)Cc1ccc(F)cc1F 1874698806 OXVHECZUJJKXRV-KRXBUXKQSA-N 444.380 5.296 30 10 IKEE CCCCC(=O)Oc1cc(/C=C/C(=O)c2cc(OC)c(Cl)cc2OC)ccc1OC 1874711558 DMNVJYAOVLOZBV-CSKARUKUSA-N 432.900 5.358 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)CC(C)C)c2)c1 1874713452 WXSWDVUPXHKVDA-DHZHZOJOSA-N 426.509 5.340 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cccc(OC(=O)Cc2ccc(F)cc2)c1 1874715380 QQSGFBBXKYAEAP-DHZHZOJOSA-N 438.882 5.840 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(C)c(C)c3)c2)c(OC)c1OC 1874717205 FFEYPNSCDPHEEP-JLHYYAGUSA-N 446.499 5.445 30 10 IKEE Cc1cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4ccccc4c3)cc2)ccc1[N+](=O)[O-] 1875094830 KVCDYTXWIMUMFP-OVCLIPMQSA-N 437.451 6.172 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cc(C)ccc3C)c(Cl)c2)cc1 1875113975 IABNUAKFAQOTSL-WUXMJOGZSA-N 434.919 6.010 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)COc1ccc(C)cc1C 1875120025 YBXYESOGZLONLZ-ZRDIBKRKSA-N 446.499 5.201 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC(C)C)c(Br)c2)cc1F 1875152929 MUVFQSXXUNXHSQ-QPJJXVBHSA-N 435.289 5.444 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)COCc3ccccc3)c(Cl)c2)cc1 1875155966 XYVWLOOLOKNKOI-RIYZIHGNSA-N 448.946 6.482 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1OC(=O)C1CC1 1875169637 VODFUJLDSNRURJ-JXMROGBWSA-N 426.940 6.184 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)c(OC)cc2OC)ccc1OC(=O)C1CCC1 1875174431 QJRNOUITTCAJIL-CSKARUKUSA-N 444.911 5.358 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3)c(Cl)c2)c2ccccc12 1875190951 VQQZMAZNTFUQQT-SDNWHVSQSA-N 442.898 6.617 30 10 IKEE Cc1ccccc1-c1nc(C)c(C(=O)NCC#CCOc2cccc(C(F)(F)F)c2)s1 1891444729 CVUZQYNBOBATJF-UHFFFAOYSA-N 444.478 5.258 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](Cc2cc(Br)ccc2Cl)NCC)C1 1892684070 IEABOXPCHNUOGN-QGZVFWFLSA-N 443.813 5.237 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(C1)CC(C#N)(N(C(=O)OC(C)(C)C)c1ccccc1F)C2 1917715700 MHFIVOOTDKNSJG-UHFFFAOYSA-N 445.535 5.251 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](O)c1cccc(Br)c1Cl 1922047220 PTFOORWCUFNELE-LEWJYISDSA-N 438.793 5.277 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCCC2(CCC2)[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCC1 1924833152 UDQILQLEHQBZBK-AVRWGWEMSA-N 447.620 5.533 30 10 IKEE Cc1cccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)c1Br 1927305799 XPMDXHJVGLOLQQ-KRWDZBQOSA-N 435.749 6.417 30 10 IKEE CN[C@H](CC#CC1CCCCC1)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 1944818304 DSANOQUDAFHIGZ-AGILITTLSA-N 428.617 5.047 30 10 IKEE C#CC[C@@H](C)CN(C)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC 1991290106 YGVOEVZIWMXQRL-GOHWNWGWSA-N 446.591 5.058 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(C(=O)OC(C)(C)C)CC[C@H]2C)c1 1999937466 BHXUYMSLSHTADI-HOYKHHGWSA-N 429.561 5.276 30 10 IKEE CN(CCC[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1)C(=O)OC(C)(C)C 2002696608 QEXMHXZAMFHTKD-QHCPKHFHSA-N 435.540 5.497 30 10 IKEE C[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)[C@H](C)CN1C(=O)OC(C)(C)C 2031998689 FJDJOZZVNFMJEZ-OJLQRUNKSA-N 447.551 5.495 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C12CCC2 2053039085 CSDLPBMJLYWUGP-AVRWGWEMSA-N 441.572 5.405 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)CC1(C)C 2065977838 ALOSQIVDSHODJN-VWLOTQADSA-N 443.588 5.666 30 10 IKEE C[C@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(C)(C)C)c(C=NO)c1Br 2079954359 LCJSXMSRUBUYKG-SECBINFHSA-N 436.247 5.518 30 10 IKEE CCc1nn([C@H](c2ccc(C(F)(F)F)c(F)c2)C2(C)CC2)c(Br)c1C=NO 2079972762 ZITHEUODTGSDSF-OAHLLOKOSA-N 448.258 5.564 30 10 IKEE Cc1cc(O)c([C@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C2(C)CC2)cc1C 2080002537 YXXKXHLTSTVZBF-SFHVURJKSA-N 432.362 5.217 30 10 IKEE C=CCCCCCCCCC[C@H](O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2086263883 MLZBZGOHFBGXTA-ZKMPZPQNSA-N 447.660 6.543 30 10 IKEE CC(C)C[C@@H]1CNCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2149841922 JDDIHJMXMIGCQF-IIBYNOLFSA-N 436.394 5.109 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)ccc(Br)c1F 2159128861 WXSGSVOUHQMTEK-CRAIPNDOSA-N 445.348 5.075 30 10 IKEE CCCN(c1cc(Br)cc(F)c1C#N)C1CCN(Cc2ccccc2)CC1 2163701913 RDUBYCXKVJMVEV-UHFFFAOYSA-N 430.365 5.341 30 10 IKEE CC(C)N(C[C@H]1CCCN(c2cc(Br)cc(C#N)c2)C1)C(=O)OC(C)(C)C 2174815505 UIYMLEHWTNHECG-INIZCTEOSA-N 436.394 5.183 30 10 IKEE C#CCCN(C(=O)c1cc(NC(=O)OC(C)(C)C)c(C)cc1Br)C1CCC1 2180075447 YZLHHIAVMYPNJL-UHFFFAOYSA-N 435.362 5.123 30 10 IKEE O=C(C1=CCCCC1)c1sc(Br)c(Br)c1Br 2212187995 ADQDLOKNUILKMN-UHFFFAOYSA-N 428.971 5.719 30 10 IKEE CCCc1ccc(C#CC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)cc1 2223309745 FKTATHGFKQZVMQ-NBGIEHNGSA-N 435.564 5.058 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2sc(C)c(Br)c2C)cc1 2226502833 FRNFPHHOFWOSBL-INIZCTEOSA-N 435.387 6.442 30 10 IKEE C=CCCCCCCCC(=O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2227285709 KRQGQUJLTSXOSL-UHFFFAOYSA-N 442.599 7.944 30 10 IKEE C=C1CCC(C[C@@H](N)[C@H](Cc2ccc(Br)cc2)NC(=O)OC(C)(C)C)CC1 2237406293 BPACRGXVRRTMEV-UXHICEINSA-N 437.422 5.349 30 10 IKEE Cc1ccc(C(=O)N(Cc2ccccc2)C2CCCCC2)cc1B1OC(C)(C)C(C)(C)O1 2267601300 SQXSQZHFQYVYNB-UHFFFAOYSA-N 433.401 5.269 30 10 IKEE C=CC[C@]1(COc2ccc(Br)cc2N)CCCCN1C(=O)OC(C)(C)C 2272094231 YZRYQFZULPVEBK-HXUWFJFHSA-N 425.367 5.146 30 10 IKEE C=CCc1ccccc1OCCOc1ccc(C)cc1C=C1N=C(c2ccccc2)OC1=O 2293175769 HJGMVGQIIYVIKR-UHFFFAOYSA-N 439.511 5.526 30 10 IKEE CC(C)(C)OC(=O)NCCC1([C@@H](O)C#Cc2cccc(Br)c2)CCCCC1 2296218087 ANDQYYZIPPVVBD-IBGZPJMESA-N 436.390 5.027 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)C[C@H](NC(=O)OC(C)(C)C)C(C)C 2296266854 MTDXGKWHWGHBOF-UXHICEINSA-N 437.422 5.108 30 10 IKEE CN[C@H](C#Cc1ccc(Br)cc1)c1cccc(F)c1NC(=O)OC(C)(C)C 2296309499 WPGRGSZUHTXHPJ-GOSISDBHSA-N 433.321 5.247 30 10 IKEE Cc1cccc(N=C2SC(=Cc3ccc(OCc4ccc(Cl)cc4)cc3)C(=O)N2C)n1 2314540040 HJHYIVDTDDJQOK-UHFFFAOYSA-N 449.963 5.856 30 10 IKEE CCN1C(=O)C(=Cc2ccc(N(C)C)cc2)SC1=Nc1nc(-c2ccccc2)cs1 2314543704 KTZXBQGMSOWGAM-UHFFFAOYSA-N 434.590 5.500 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SCCc3ccccc3)nnc2C2CC2)cc1 2320858579 WGFNHLABNZOZEX-UHFFFAOYSA-N 434.609 5.942 30 10 IKEE Cc1cccc(C)c1NC(=O)CSc1nnc(C)n1N=Cc1c(Cl)cccc1Cl 2321143041 MVXKMOSXRHDMMK-UHFFFAOYSA-N 448.379 5.123 30 10 IKEE CCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccccc1O 2321395634 FZCAHMJXVQEFGZ-UHFFFAOYSA-N 444.988 5.260 30 10 IKEE COc1ccc([C@@H](C)N2COc3ccc4c(c3C2)OC(=Cc2ccccc2F)C4=O)cc1 2322238783 OHHTVFJYQVWUSH-MRXNPFEDSA-N 431.463 5.364 30 10 IKEE Oc1ccc2ccccc2c1C=Nn1c(S)nnc1COc1ccc(Cl)cc1Cl 2322260179 NYLSUZPOUVSHDM-UHFFFAOYSA-N 445.331 5.194 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2ccc(C)cc2C)cc1 2322359601 QHQMAZLBASRXOE-UHFFFAOYSA-N 447.962 6.433 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2c(OCC(=O)NCCC)ccc3ccccc23)cc1 2322391656 MWIXJEDHZFBVAR-UHFFFAOYSA-N 429.560 5.984 30 10 IKEE COc1cccc(C=CC(=O)c2ccccc2Cl)c1OCC(=O)Nc1ccccc1C 2322437132 RUBNHINWUIBORA-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(Cl)cc2C=CC(=O)c2ccc(F)cc2F)o1 2322501955 GCMABBNTIJTLMS-UHFFFAOYSA-N 446.833 5.863 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccccc2OCc2cccc(C)c2)cc1 2322748986 OHNKRSGGSNYWSN-UHFFFAOYSA-N 442.599 7.819 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccccc1OCc1cccc(Cl)c1 2322767039 VEMVGBUHHZWPNZ-UHFFFAOYSA-N 434.963 7.121 30 10 IKEE Cc1cc(OC(=O)[C@H]2CCCO2)cc2c1C(=O)C(=Cc1ccc(-c3ccccc3)cc1)O2 2322927191 ZCESSXVGGMJDHQ-JOCHJYFZSA-N 426.468 5.363 30 10 IKEE COc1cc(C=NNc2ccc(C(=O)O)cn2)ccc1OCc1ccc(C(C)(C)C)cc1 2322941990 MIDRSDQQHMTCEI-UHFFFAOYSA-N 433.508 5.111 30 10 IKEE Cc1cc(OC(=O)Cc2cc(Cl)ccc2Cl)cc2c1C(=O)C(=Cc1ccccn1)O2 2323409445 DPRVUQNIEOGYKC-UHFFFAOYSA-N 440.282 5.461 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1OC 2323441349 FUOXZQFOJBTFNT-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(=O)C=Cc4cccs4)ccc3C2=O)c1OC 2323517812 VGWXKNQWXPYYLP-UHFFFAOYSA-N 434.469 5.000 30 10 IKEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(Br)cc3)cc2)o1 2323581147 ZVOXPPUCSNTHJO-UHFFFAOYSA-N 441.277 5.304 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OCc1cccc2ccccc12 2323802832 SOGWXQAZCUEEJC-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(O[C@H](C)C(=O)Nc4ccc(F)cc4)c3C)C2=O)cc1 2324312678 JJRBVDZDQGXZQE-MRXNPFEDSA-N 447.462 5.165 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc(OC)c1OCc1ccccc1C 2324365858 BBLDVFUZEIRSKA-UHFFFAOYSA-N 446.543 6.113 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2sccc2C)C3=O)cc1 2324380845 ZGAVHQHGYCOTEB-KRWDZBQOSA-N 433.529 5.696 30 10 IKEE Cc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O 2324407341 SVIVWBSNUCITAB-QGZVFWFLSA-N 447.918 5.979 30 10 IKEE CCOc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2)C3=O)cc1 2324521640 CORMOZFMLWXHPW-GOSISDBHSA-N 443.499 5.416 30 10 IKEE Cc1cccc(OCCCCOc2ccc3c(c2C)OC(=Cc2cccc(Cl)c2)C3=O)c1 2324574096 NLPNVMMYROOCPF-UHFFFAOYSA-N 448.946 6.811 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCCOc4ccc(C(C)(C)C)cc4)cc(C)c3C2=O)cc1 2324690408 VSUHLJFKAJPHIX-UHFFFAOYSA-N 442.555 6.675 30 10 IKEE COc1ccc(OCCCOc2ccc3c(c2)OC(=Cc2cccc(OC)c2)C3=O)cc1 2324697191 HJZBEAJJCHSCCC-UHFFFAOYSA-N 432.472 5.168 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1ccc2c(c1C)OC(=Cc1ccccc1C)C2=O 2325093207 OUSDNRVBHKCDEW-QFIPXVFZSA-N 436.548 6.201 30 10 IKEE CC(C)c1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(Cl)cc4)ccc3C2=O)cc1 2325513246 YZDWVMFJGAVVKC-UHFFFAOYSA-N 447.918 6.097 30 10 IKEE CCCOc1cccc(C=Nn2c(CC)nnc2SCc2ccc(Cl)c(Cl)c2)c1 2325610437 JADGQYTUVTZLKD-UHFFFAOYSA-N 449.407 6.111 30 10 IKEE COc1cc(C(=O)C=Cc2cccc(OC(=O)CC3CCCCC3)c2)c(OC)cc1Cl 2325758879 NHTPACVVXLKQBC-UHFFFAOYSA-N 442.939 6.129 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1cccc(F)c1 2325910014 FEYQYIAKUUHRDJ-UHFFFAOYSA-N 437.327 5.463 30 10 IKEE C=CCSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1cccc(O)c1 2325913808 DNDUJXXYCPVZFU-UHFFFAOYSA-N 435.336 5.030 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc(O)c(Cl)c1 2326705622 UKUDPTWOAZIPQF-UHFFFAOYSA-N 441.771 5.681 30 10 IKEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccccc1OC(C)C 2328075437 YONGROYOSRBZLP-UHFFFAOYSA-N 441.000 5.664 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1cc(Cl)ccc1O 2329100535 KCMRJKSUECVDSA-UHFFFAOYSA-N 433.364 5.432 30 10 IKEE Fc1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2-c2ccccc2Cl)cc1 2329539731 QLGLGYZHGOGSRL-UHFFFAOYSA-N 440.906 6.051 30 10 IKEE Cc1ccc(O)c(C=Nn2c(Cc3ccccc3F)nnc2SCc2ccccc2)c1 2329741105 CITKKOPGGJTUBJ-UHFFFAOYSA-N 432.524 5.197 30 10 IKEE Cn1cccc1C=Nn1c(Cc2ccccc2F)nnc1SCc1cccc(Cl)c1 2329777460 JHTDOVMOSHIVOH-UHFFFAOYSA-N 439.947 5.174 30 10 IKEE Clc1ccc(CSc2nnc(Cc3cccs3)n2N=Cc2ccco2)cc1Cl 2330438718 UOGSOSOZUGZTLS-UHFFFAOYSA-N 449.388 6.005 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)C1CCCC1 2330821097 LBXAKKWSOBDOPN-UHFFFAOYSA-N 433.331 6.384 30 10 IKEE O=C(CSc1ccccc1)Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1Cl 2330920393 PJICAKXOFLWXQZ-UHFFFAOYSA-N 443.351 6.587 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2cccc(C)c2)nnc1[C@H]1CCCO1 2330951391 CXSQHAMVQZEMOF-JOCHJYFZSA-N 436.581 5.401 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)cc2F)cc1)c1cccc(Br)c1 2330994571 TUSNXQSCOORWEM-UHFFFAOYSA-N 443.243 5.843 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(OC(C)=O)cc3)cc2)cc1 2331295565 CDEUEWCRVMEFLB-UHFFFAOYSA-N 444.483 5.516 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2Cl)c(C)c1 2331319802 NCMNHPSRLLTADR-UHFFFAOYSA-N 448.946 6.454 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)cc3)c([N+](=O)[O-])c2)c1 2331387090 YOQNNHSKTYMXHM-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OC(=O)c1ccccc1F 2331480377 MBCHNOSFWCIFLX-UHFFFAOYSA-N 440.470 6.493 30 10 IKEE O=[N+]([O-])c1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C2CCC2)cc1 2331545533 BBNUOMTWFPOQCD-UHFFFAOYSA-N 445.907 5.421 30 10 IKEE CCSc1nnc(COC)n1N=Cc1c(OCc2ccccc2)ccc2ccccc12 2331569217 OVNGSXFTQCGHDA-UHFFFAOYSA-N 432.549 5.151 30 10 IKEE CSCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1 2331592683 RXZINWWMBMAQBW-UHFFFAOYSA-N 432.541 6.424 30 10 IKEE COCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(C(C)(C)C)cc1 2331595479 UQGXLICIKBCJLQ-UHFFFAOYSA-N 428.989 5.550 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)C3CCC3)c(Br)c2)c(C)c1C 2331616541 SKBDRBPKIDMYGN-UHFFFAOYSA-N 443.337 5.676 30 10 IKEE Cc1ccccc1CSc1nnc(C(C)C)n1N=Cc1cccc(Br)c1 2331675235 DEFAXUFQCPIGCM-UHFFFAOYSA-N 429.387 5.647 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc1Cl 2331756819 UFTDBUWITFHYFB-UHFFFAOYSA-N 449.374 7.082 30 10 IKEE Cc1cccc(CN2C(=O)/C(=N\NC(=S)Nc3ccc(C)c(Cl)c3)c3ccccc32)c1 3041415 NVOJOYCXLNIPMT-QYQHSDTDSA-N 448.979 5.194 30 10 IKEE COCC/N=c1\scc(-c2cc3ccccc3o2)n1/N=C/c1cccc(C(F)(F)F)c1 16044266 OXSPIKVZVXKPHR-KNFXCOCRSA-N 445.466 5.411 30 10 IKEE CN(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(F)ccc2F)cc1 20882995 DURTUZJXYWYGNK-CRYYWNKWSA-N 445.513 6.010 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2C)cc1 21225719 OCYKAOZGWAFFFC-PBBNMVCDSA-N 438.571 6.763 30 10 IKEE CN(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(O)c2)cc1 21252193 DRHOVXVFKRINFN-XHCCPWGMSA-N 425.532 5.438 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1Cl)C2=O)c1ccccc1 33513999 RBBMKNGMRCIZLZ-NHDPSOOVSA-N 425.267 5.871 30 10 IKEE O=C(/C=C\c1ccccc1)C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccccc1F 35444974 SOCGAMWZHNBVON-UPTOSOBMSA-N 427.475 5.046 30 10 IKEE C=CCN(Cc1nccn1Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(Cl)cc1 35979830 DEKQWNDLFJJCNH-UHFFFAOYSA-N 434.754 5.720 30 10 IKEE Cc1csc(/N=C2/S/C(=C\c3c(Cl)cccc3Cl)C(=O)N2c2ccccc2)n1 39865515 JEQPSHXXKRZJSJ-YEKZGRKESA-N 446.384 6.567 30 10 IKEE C=CCc1ccc(OCCCCn2c(-c3ccccc3F)nc3ccccc32)c(OC)c1 40250643 IILUDGKEUKZLDZ-UHFFFAOYSA-N 430.523 6.439 30 10 IKEE COC(=O)c1ccc(COc2cc(C)c3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)cc1 41502241 MKONAUYGLMVLPD-OYKKKHCWSA-N 443.499 5.043 30 10 IKEE C=CCCC(=O)Nc1ccc2nc(SCC(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 59857637 JCKONXBECWDWOP-UHFFFAOYSA-N 427.507 5.084 30 10 IKEE CCCCCCCCCCCCCCCCNCc1cccc(OC[C@H]2CCCO2)c1 100125282 IMPZPBWPKVLGGW-MUUNZHRXSA-N 431.705 7.815 30 10 IKEE CCCCCCCOc1ccc(NC(=S)NC(=O)c2cccc(OC(C)C)c2)cc1 100254088 FURFUBBMIINZDQ-UHFFFAOYSA-N 428.598 5.950 30 10 IKEE CCCCCCCCCCCCn1c([C@@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21 102183120 CMAVHNJKRIQCNF-SANMLTNESA-N 446.723 9.308 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C/c1cc(Cl)cc3c1OCOC3)C2=O)c1cccs1 103024523 WAXGYPVOTDROEF-QGMBQPNBSA-N 440.860 5.103 30 10 IKEE O=C1C(=O)N(Cc2ccco2)[C@H](c2ccc(Cl)cc2Cl)/C1=C(/O)c1ccccc1 103224778 CWFYZPLFQJOJOV-LAFOYAEKSA-N 428.271 5.208 30 10 IKEE CC(C)n1ncc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1C(F)(F)F 109915913 DLGMUMPHTGWZMS-UHFFFAOYSA-N 428.414 5.186 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2ccccc2C)c1 169936750 OWCBLMDRVGFDSN-DEOSSOPVSA-N 438.483 5.268 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2C)c1 169937056 PSQXAVYQHRSYAY-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccc(O)cc1 169961860 DBCYJLMSMKZWTL-HSZRJFAPSA-N 433.891 5.148 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2cccs2)c1 169982151 TVNYRQJEJYUSFO-QFIPXVFZSA-N 432.545 5.214 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2cccs2)cc1 169983159 GUTWLHNQFHENST-DEOSSOPVSA-N 431.557 5.973 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]2c2cccnc2)ccc1F 170008969 AQHOOYZFQQUPES-OAQYLSRUSA-N 436.870 5.274 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc3ccccc23)c1 170045455 ONBMLODWORCQKI-RUZDIDTESA-N 437.495 5.828 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@H]2c2ccccc2)c1 170049274 QKYXXIBDAQHEGE-VWLOTQADSA-N 439.555 6.384 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccc(F)cc1 170061138 PMOCQAFFSUOTBI-HSZRJFAPSA-N 437.417 5.206 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@H]1c1ccc(F)cc1 170061414 UQKANCNAOSKPMH-DEOSSOPVSA-N 445.490 5.542 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)cc1 170062779 RSBMJSCEFSDSAL-QFIPXVFZSA-N 435.882 5.824 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2c[nH]c3ccccc23)c(C)c1 170078162 GAPFYNVRCORUOW-DEOSSOPVSA-N 444.531 5.396 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1c1ccc(F)c(F)c1 170087944 MBOPKUZFNHNTBM-HSZRJFAPSA-N 444.437 5.537 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2C2CCCCC2)cc1 170114731 VKEYQXMKRRCOCH-HSZRJFAPSA-N 431.488 5.352 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1cccc(C)c1 170142740 NBZUBBVSCTWWQP-XMMPIXPASA-N 441.527 5.712 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2Cc2ccco2)c1 170143867 VFDHAGWPURAUGS-XMMPIXPASA-N 427.500 5.245 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 170150027 BKLPMWBMSUCPBM-HSZRJFAPSA-N 435.564 5.761 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(OC)ccc3Cl)[C@H]2c2ccccn2)cc1 170170974 BNHHZRFCTWZQMQ-JOCHJYFZSA-N 448.906 5.089 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccccn2)cc1C 170173721 RRALZGPWMQYFMM-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccnc2)cc1C(C)C 170196916 MIFNOQPVEJFTJK-QHCPKHFHSA-N 434.536 5.125 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccncc2)c1 170203628 YFIFLCUBQGATSE-QFIPXVFZSA-N 448.906 5.307 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@@H]1c1cccc2ccccc12 170221080 IIJGPIVSRNPHDJ-VWLOTQADSA-N 443.543 5.960 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1cccc2ccccc12 170221230 CGSUERPNCNDKAI-QHCPKHFHSA-N 445.902 6.228 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccc2)c1 170222802 VYHYSPTWNHIKEL-NRFANRHFSA-N 437.854 5.271 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccccc2)cc1C 170229624 XHRLARLUEDAFGB-QFIPXVFZSA-N 435.426 5.065 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2)c(OCC)c1 170231418 JMWMZIKKYWWSKE-DEOSSOPVSA-N 449.547 5.395 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1c[nH]c2ccccc12)c1cccc2ccccc12 170254240 LVNQPLDFBAFEEL-AREMUKBSSA-N 444.490 6.104 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@@H]1c1cn(C)c2ccccc12 170269403 KOOBFPCESJXMMC-DEOSSOPVSA-N 446.547 5.182 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccco2)ccc1Cl 170279647 YNIZSQCLAMIKSW-IBGZPJMESA-N 443.908 5.172 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1C1CCCCC1 170317566 JQKJHENNBCTSLE-NRFANRHFSA-N 439.577 5.755 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1sccc1C 170319415 RANQBQSOYQSNAC-OAQYLSRUSA-N 439.621 6.431 30 10 IKEE Cc1[nH]c2ccccc2c1[C@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1Cc1ccc(F)cc1 170424847 SYBLVFXZPDOUKE-QFIPXVFZSA-N 446.503 5.455 30 10 IKEE CCN1C(=O)/C(=C/c2cc(Br)ccc2OC)SC1=Nc1ccc(OC)cc1 254761052 PWIIMESHJDHVBA-OUCYFQBSSA-N 447.354 5.090 30 10 IKEE CCN1/C(=C2/SC(=Nc3ccc(C)cc3)N(C3CCCCC3)C2=O)Sc2ccccc21 254855038 CHSNQBDGKGXTSF-VUQCETKJSA-N 449.645 6.692 30 10 IKEE C=CCCCCC[C@H](NCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 406302697 ZLQRCZRLSVHAJN-IBGZPJMESA-N 425.411 6.583 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(F)cc2)cc1Cl 526491530 PKVVEZZYTJUBFN-HSZRJFAPSA-N 448.881 5.807 30 10 IKEE CC(C)COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccnc2)c1 526603622 AOBRQQMISRGXKL-XMMPIXPASA-N 425.488 5.045 30 10 IKEE CCCOc1ccc(/C=N\n2c(C)nnc2SCc2ccc(C)cc2C)cc1[N+](=O)[O-] 526811042 ZLLCTSJBYLSLRV-QRVIBDJDSA-N 439.541 5.075 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1cn(CC)c2ccccc12 526819328 SUMGUISKAPMRTK-YSMPRRRNSA-N 431.609 5.997 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1ccc(OCC(C)C)cc1 526823154 RLTAIDAHYNBKNO-YUMHPJSZSA-N 447.608 5.702 30 10 IKEE CCCCCCCCCC[C@H](COC(=O)c1ccccc1)c1nnc(-c2ccccc2)o1 585667511 RAZXQJWQGMETBB-XMMPIXPASA-N 434.580 7.208 30 10 IKEE N#Cc1cccc(C(=O)Nc2ccc(C(=O)NC3CCCCCCCCCCC3)cc2)c1 586568715 NNSYPQDVBARUKD-UHFFFAOYSA-N 431.580 6.214 30 10 IKEE C=CCNC(=O)Nc1cccc(C(=O)Nc2sc(-c3ccccc3)cc2C(=O)OCC)c1 586636480 FKLSGPMXCVGSRC-UHFFFAOYSA-N 449.532 5.152 30 10 IKEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(Cc2ccccc2)c2ccccc2)cc1 586653824 ZSYVSVYAAMIADU-UHFFFAOYSA-N 425.532 5.740 30 10 IKEE N#Cc1ccc(Br)cc1Oc1nc(Br)c(Br)s1 686911772 CFICRYMSQXAULQ-UHFFFAOYSA-N 438.926 5.095 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 698442483 MRXFEXAEKFTGHY-XDHUDOTRSA-N 445.560 5.118 30 10 IKEE C[C@H]1c2ccccc2C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 698963252 HOCVZCGGTKOYED-OYHNWAKOSA-N 427.342 5.813 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@@H](C#N)c1sncc1Br 711916627 CTHYTUDAOOSMNK-ZDUSSCGKSA-N 428.739 5.565 30 10 IKEE Cc1cc(C=Nc2ccc(I)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1 1084233368 SMLOIGSIJBJIAX-UHFFFAOYSA-N 445.260 5.358 30 10 IKEE Cc1ccc2c(c1)/C(=N/c1ccc(F)cc1)C[C@H](C)N2C(=O)c1ccc(Cl)c(Cl)c1 1615946844 USWUXVKAIIPUJQ-QNWHRTGJSA-N 441.333 7.001 30 10 IKEE C=CCN1C(=O)/C(=C\c2c[nH]nc2-c2cccc([N+](=O)[O-])c2)SC1=Nc1ccc(C)cc1 1772725089 UEDRKFZIBSZLAF-UFDKDONYSA-N 445.504 5.083 30 10 IKEE Cc1cccc(N=C2S/C(=C/c3ccccc3OCc3ccc(Cl)cc3)C(=O)N2C)n1 1772731511 OJQLSDHNLYRGCV-RWYGKYMDSA-N 449.963 5.856 30 10 IKEE C=CCN(CC=C)c1cc(-c2cc3cnccc3c(NCCCCN(CC)CC)n2)ccn1 1857836684 XSIWJNDZLHFOCH-UHFFFAOYSA-N 444.627 5.404 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccc2OCC(=O)OCCC(C)C)c1 1858732389 MTMXSHUWBCCQEH-UHFFFAOYSA-N 439.556 5.140 30 10 IKEE C=CCN(CC=C)C(=O)Oc1cccc2c(NC(=O)c3cccc([N+](=O)[O-])c3)cccc12 1858951530 JJWKVWYQRUIXCM-UHFFFAOYSA-N 431.448 5.173 30 10 IKEE CN1C(=O)CCc2cc(C(=O)Nc3oc(-c4ccccc4)c(-c4ccccc4)c3C#N)ccc21 1859760561 IXMUTSMEWMMPEH-UHFFFAOYSA-N 447.494 5.647 30 10 IKEE CC(C)(C)c1csc(NC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)c1C#N 1860632541 SRRPMRWRSJHYBS-UHFFFAOYSA-N 436.002 5.123 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)CCc1ccc(OC)cc1)[C@H](C)CC 1861085033 SOGWHIKAHVMEAB-BWKNWUBXSA-N 432.649 5.416 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC(C)C)NC(=O)CCc1ccc(C)c(C)c1 1861098637 ZUZZOHRARDLPFM-VWLOTQADSA-N 430.677 6.024 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc3c(c2)CCCC3)n(Cc2ccccc2F)n1 1862358673 DCSZWJIWVASBQP-UHFFFAOYSA-N 429.539 5.431 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc3c(c2)OCO3)n(-c2cccc3ccccc23)n1 1862365559 USBSXNMOACUYKK-UHFFFAOYSA-N 437.499 5.235 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2cccc(O)c2)cc1C 1862401187 VQYIKFRXICRQKT-XDHUDOTRSA-N 443.499 5.049 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@@H]2c2ccccc2F)c1 1862411975 SSLDLDSBFCBCAY-QFIPXVFZSA-N 437.417 5.191 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(C)cc1 1862412293 AXHBZSZGONOBMI-QFIPXVFZSA-N 443.490 5.058 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@H](C)c2ccccc2)c1 1862413692 IXSVTAAJPQTVLC-CMJOXMDJSA-N 449.453 5.313 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(OCC)cc1 1862447835 XRNWFVPXGJBKLD-JOCHJYFZSA-N 441.955 5.897 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccccc1Br 1862453245 VLGUONQXTKLGOE-QGZVFWFLSA-N 434.717 5.091 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(Cl)cc2)ccc1F 1862502679 GWBGXCPIXZVLBP-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2cccc(Cl)c2)ccc1F 1862502711 HNTHMTHWHRVHQP-OAQYLSRUSA-N 445.918 5.181 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(Br)c3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862524878 POQSVQMXHYXODY-JLTOFOAXSA-N 442.353 5.388 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccc(O)cc2)cc1 1862530879 ZVIGBXDPNMMRSR-MZNJEOGPSA-N 427.500 5.294 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(Cl)cc1Cl 1862538663 JNLFIXIXEWYMEV-OAQYLSRUSA-N 446.374 6.324 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862567754 ZTFZSCFXNXUOPS-SBUREZEXSA-N 436.552 5.215 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cc(Cl)cc(Cl)c1)c1cccc(O)c1 1862598740 WAHCBFXRMUHXRR-IBGZPJMESA-N 432.303 5.220 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(C(C)(C)C)cc2)=C(O)C(=O)N1C1CCCCC1 1862613759 OYKCAVKSRUSVHD-XMMPIXPASA-N 431.576 6.204 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(C(=O)O)cc1 1862615119 HTCIEDMMXGMABN-QVKFZJNVSA-N 435.520 5.059 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C(C)C)cc3)[C@H]2c2cccc(O)c2)c1 1862661056 CGHKLUIRXGJYCO-RUZDIDTESA-N 441.527 5.603 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(OC)cc2)cc1 1862688805 BAICXAMPLICPGY-QHCPKHFHSA-N 435.520 5.005 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(C(C)C)cc1 1862715551 WWOHGABPPUEAMI-AREMUKBSSA-N 441.571 6.588 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(C)cc1 1862722608 VJFBVWPNHQANMR-RUZDIDTESA-N 425.528 6.040 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3cccc4ccccc34)C2=O)cc1 1862846047 UUFOOOACKYVLGK-UHFFFAOYSA-N 429.479 5.417 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2OC)=C(c2ccc(Cl)cc2)C1=O 1863171039 JDHLESHJMNNOML-UHFFFAOYSA-N 440.971 5.901 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2)=C(c2ccc(NC(C)=O)cc2)C1=O 1863183544 UMYOMMDLTOBDDS-UHFFFAOYSA-N 433.552 5.198 30 10 IKEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CCC)[C@@H]1c1ccc(C)cc1 1864254073 UYASNZOOBIOMLW-QFIPXVFZSA-N 438.616 5.081 30 10 IKEE Cc1ccc([C@H](C(=O)N[C@H](C(=O)Nc2ccc(C#N)cc2)c2ccccc2)C(C)C)cc1 1866960416 OPJIGDRNTVYZAW-RPBOFIJWSA-N 425.532 5.103 30 10 IKEE CCC[C@@H](NC(=O)[C@@H](c1ccc(Cl)cc1)C1CCCC1)C(=O)Nc1ccccc1C#N 1867006015 PEWGQAXMNOIEMT-DHIUTWEWSA-N 437.971 5.409 30 10 IKEE COc1ccc2c(c1)CCN(c1cc(Nc3ccc(C#N)cc3)nc(C(C)(C)C)n1)[C@@H]2C 1868355869 PWPKZAVWOISXKO-QGZVFWFLSA-N 427.552 5.522 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](CCCC)NC(=O)C[C@@H](c1ccc(C(C)C)cc1)C(C)C 1868704543 KALWLROHRCOAOP-JWQCQUIFSA-N 426.645 5.815 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N2CCC[C@H](C)C2)nn1-c1cccc(Cl)c1 1869985001 JBLOTTNYXGUZLQ-SFHVURJKSA-N 432.012 5.846 30 10 IKEE CC(C)(C)c1ccc(-n2nnc(C#N)c2NC(=O)[C@@H](Cc2ccccc2)c2ccccc2)cc1 1870148086 UYHKIZLRXLQLPS-DEOSSOPVSA-N 449.558 5.401 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OC2CCCCC2)c(=O)cc1CN1CCCC1 1870574453 QAPZEPWSNUNYTM-UHFFFAOYSA-N 446.632 5.059 30 10 IKEE C=CCOc1cn(Cc2ccc(F)cc2)c(CNc2ccc(OCCCC)cc2)cc1=O 1870808948 IIWUTTIZEYXRAB-UHFFFAOYSA-N 436.527 5.392 30 10 IKEE CCCCCCCOc1cn(CCCOCC)c(CNc2ccc(F)c(F)c2)cc1=O 1870830427 OGKICJZIPVURIP-UHFFFAOYSA-N 436.543 5.514 30 10 IKEE CCCCCCCOc1cn(CCCOCCCC)c(CNc2ccccc2)cc1=O 1870830494 QZAQOAJDDCGOPD-UHFFFAOYSA-N 428.617 6.016 30 10 IKEE CCCCCCCCn1cc(OCC(C)C)c(=O)cc1CNc1ccc(F)c(Cl)c1 1870857738 CWEJNXNIZSCLTE-UHFFFAOYSA-N 436.999 6.648 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(C)cc2)c(=O)cc1CNc1ccccc1C 1871206380 MRYIZMCYHYRYKB-UHFFFAOYSA-N 446.635 7.017 30 10 IKEE Cc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CC(C)C)cc1Cl 1871251370 AWZQFGFSTBVHLY-UHFFFAOYSA-N 435.955 5.529 30 10 IKEE CCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1cc(C)ccc1C 1871253764 HQUDLVLHNJCUBV-UHFFFAOYSA-N 429.564 5.718 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)o2)C3=O)c(OCC)c1 1871386632 FNYGKJNOVXKHRM-UCQKPKSFSA-N 448.471 5.529 30 10 IKEE CCCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2sccc2C)C3=O)c1 1871391197 OUFCLGIRAXCNER-STZFKDTASA-N 448.496 5.597 30 10 IKEE CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1cccs1)C2=O 1871403547 ZADAZZKRZCRGGI-LRSOKBAUSA-N 449.528 5.477 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(O[C@H](C)C(=O)Nc3ccc(Cl)cc3)ccc2C1=O 1871414905 RSJQSERLMZGKHN-FAPYRAKZSA-N 439.920 5.732 30 10 IKEE CCc1ccccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O 1871459079 PEOQXYXOFLGMCA-QRVIBDJDSA-N 447.918 5.845 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1cc(C)ccc1C 1871876680 TZIALTCUKLPBMN-NRFANRHFSA-N 449.016 5.331 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 1872225615 PAIXCTQIBXYQOF-QFIPXVFZSA-N 449.016 5.269 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccccc1CC)[C@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1872493650 GYGIELBTFVVPAL-VGOFRKELSA-N 449.016 5.133 30 10 IKEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(Cl)cc1 1872522873 FVPPYIIPEZARGT-QFIPXVFZSA-N 449.016 5.187 30 10 IKEE CC(C)COc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 1872762811 XCSLVDQWIALPEH-SFHVURJKSA-N 445.371 6.642 30 10 IKEE N#C[C@H](C(=O)C(c1ccccc1)c1ccccc1)c1nc(-c2ccccc2Cl)cs1 1872764421 MMHLPJWRCYDMPH-HXUWFJFHSA-N 428.944 6.472 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccc(C(C)C)cc3)n2)cc1 1872765689 VBEPGSIQAQESQP-CYFREDJKSA-N 446.616 6.920 30 10 IKEE COc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c(OC)c1 1872769847 YZVZTBQTDHVCEA-OAHLLOKOSA-N 447.343 5.553 30 10 IKEE COc1cc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3cc(C)ccc3C)cs2)cc(OC)c1OC 1872772150 KVBABOVCMHZTKM-CSHXORCISA-N 448.544 5.342 30 10 IKEE CC(C)c1ccccc1O[C@@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc3c(c2)OCO3)cs1 1872772496 FFQZGYARBKRRMR-MAUKXSAKSA-N 434.517 5.306 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)c3c(F)cccc3Cl)n2)c(OCC)c1 1872783731 GPJPXQCIBOWSLO-OAHLLOKOSA-N 444.915 5.890 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCCCNC(=O)c3ccccc3)n2)cc1C 1872783986 MVZFGNWQAMRQPM-JOCHJYFZSA-N 445.588 5.594 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H]2CCCC[C@H]2C)=C(c2cccc(OC)c2)C1=O 1873048774 URVUFBGVPIIBJC-DENIHFKCSA-N 426.601 5.304 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1cccc(OC)c1 1874265039 JCBKFTDVQAKYND-FSJBWODESA-N 428.945 5.070 30 10 IKEE Cc1cccc(/C=N/n2c(CCc3ccc(C)c(C)c3)nnc2SCc2ccccc2)c1 1874329741 CGQQNRDHOKXEPE-MTDXEUNCSA-N 440.616 6.163 30 10 IKEE C=CCSc1nnc(CCOc2ccccc2)n1/N=C/c1c(OC)ccc2ccccc12 1874346937 NKNXNVUNOTYBKU-NLRVBDNBSA-N 444.560 5.222 30 10 IKEE CCCSc1nnc(CCc2ccccc2C)n1/N=C/c1ccc(Cl)cc1Cl 1874363620 OEMKZDANLMRJGW-ZVHZXABRSA-N 433.408 6.063 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3F)n2/N=C/c2cccc(C)c2)cc1 1874389158 JGLWSYUPGPDEOO-JVWAILMASA-N 430.552 5.799 30 10 IKEE Cc1ccccc1CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1ccc(O)cc1 1874394589 QITMUUIGLSKNCT-JHKMYFMNSA-N 428.561 5.618 30 10 IKEE CCCSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1ccc(Br)cc1 1874400517 SDBRPBAZXSARFU-WXUSHSQQSA-N 429.387 5.577 30 10 IKEE Cc1ccccc1/C=N/n1c(CCc2ccccc2)nnc1SCc1ccc(Cl)cc1 1874404536 DEDAZIISNKWKGN-WPWMEQJKSA-N 447.007 6.200 30 10 IKEE CCOc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2)cc1 1874416781 HOSQAHFUESKCAI-NLRVBDNBSA-N 428.561 5.442 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2[C@@H]2CCCO2)c1 1874453252 FOXSYMMVYDBBBR-OGBFJMLUSA-N 430.936 5.405 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccco3)n2/N=C/c2cccc3ccccc23)c1 1874467210 XCFRMAXRTXGPDF-JVWAILMASA-N 438.556 6.483 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(SCc2ccccc2C)nnc1C1CC1 1874517751 JTBHHUHTFXKJJW-CVKSISIWSA-N 428.561 5.800 30 10 IKEE CCOc1cccc(/C=N/n2c(CC)nnc2SCc2ccc(Cl)c(Cl)c2)c1 1874527891 JITGQSTVKNUFFQ-FSJBWODESA-N 435.380 5.721 30 10 IKEE CCCSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1/N=C/c1ccc[nH]1 1874541810 SIDDFJWKWULYEK-YDZHTSKRSA-N 438.384 5.309 30 10 IKEE CCCCOc1ccc(/C=N/n2c(S)nnc2Cc2ccc(Cl)cc2)cc1OCC 1874564583 KZTNUYBGIZXWKG-BUVRLJJBSA-N 444.988 5.271 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccccc2CC)cc1 1874573354 JIJJGJVMNBRWMB-FMQUCBEESA-N 441.571 6.505 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(C)cc2)c1OCc1ccccc1Cl 1874579488 QUMUAIYRYVVKCG-VAWYXSNFSA-N 427.327 6.786 30 10 IKEE CCCOC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1cc(C(C)(C)C)ccc1C 1874589761 BPUCXAGNQJGXQK-CCEZHUSRSA-N 444.571 6.674 30 10 IKEE COC(=O)COc1c(OC)ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)c1Br 1874598111 VFHDBSRJFPXSHA-PKNBQFBNSA-N 447.325 5.029 30 10 IKEE Cc1ccc(NC(=O)COc2cccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)c2)c(C)c1 1874599619 WDBPWKRJWLHCFW-ACCUITESSA-N 441.571 6.451 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OCC(=O)NCCC 1874603076 LGBSVWKUHTYODI-SDNWHVSQSA-N 447.575 5.104 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(OC)cc3)cc2Cl)o1 1874609424 QIFLPBPFNSTMMN-NYYWCZLTSA-N 440.879 5.593 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(Cl)c2)c1 1874618276 RZWXCEYOHSKPDU-DHZHZOJOSA-N 447.962 6.487 30 10 IKEE O=C(/C=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)c1ccc2c(c1)OCO2 1874621553 ZSGQAICQESVVGH-UXBLZVDNSA-N 427.283 6.197 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OC(=O)[C@H](C)c1ccccc1 1875095752 FVHHWLTVGTVCAT-ZRNYNZGJSA-N 436.507 6.454 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(Cl)c1OC(=O)CCOC 1875097213 ADVAXALHVKJYJP-DHZHZOJOSA-N 442.939 5.456 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1ccc(F)cc1F 1875099016 PXDHFMCNDKKSSA-WUXMJOGZSA-N 448.465 5.968 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3)c(OCC)c2)cc1 1875106665 ZEOUBVIFSMABDD-NBVRZTHBSA-N 428.528 6.543 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 1875110591 RLYRREYLMQRIQD-ZRDIBKRKSA-N 437.835 5.372 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Br)cc2)ccc1OC(=O)C1CCC1 1875110962 LZBRJYAIFVSKSS-WUXMJOGZSA-N 429.310 5.449 30 10 IKEE CC(C)(C)CC(=O)Oc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1Cl 1875114716 RRMQVANEVFOKBJ-VQHVLOKHSA-N 435.745 6.340 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cc(Cl)ccc2Cl)cc1)c1ccc(Cl)cc1 1875123000 RPICOOBJKCDODA-KGVSQERTSA-N 431.702 6.762 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 1875127575 MWVKYTAFWBGHAV-WUXMJOGZSA-N 437.835 5.372 30 10 IKEE COCCOCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1Cl 1875135490 SNJALUJHJPCAOU-QHHAFSJGSA-N 443.710 5.111 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 1875140669 QZPCJXLMOFQPRC-NTUHNPAUSA-N 445.471 5.726 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(Cl)cc2)c(Cl)c1 1875143103 JBCQNMMLSXBDLM-ONNFQVAWSA-N 441.310 6.426 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)C3CCCC3)c(OC)c2)cc1F 1875152831 TUTAUVSOBOGFRE-VQHVLOKHSA-N 432.875 5.488 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2[N+](=O)[O-])cc1 1875175029 VSFSDUIWSVJLHV-LFYBBSHMSA-N 431.444 5.336 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)c(F)c3)cc2)cc1Cl 1875186826 CYVXVRNSGXPTEV-ONNFQVAWSA-N 428.818 5.742 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C)c(OC)cc3C)cc2Cl)cc1 1875188166 PPVOIKNPJRBKME-XYOKQWHBSA-N 448.946 6.643 30 10 IKEE CC[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1880062876 CDVANYGDEITHLN-CYFREDJKSA-N 429.561 5.105 30 10 IKEE C[C@H](CCS)CCSc1cc(I)ccc1Br 1900791473 JMVHNHBLTGJBIL-SECBINFHSA-N 431.202 5.492 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1csc(I)c1 1922067405 BDBUQFWXWVGJCG-SFHVURJKSA-N 427.351 5.166 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1cc2ccccc2cc1NC(=O)OC(C)(C)C 1922093749 FTYCVUQLRCPANH-SANMLTNESA-N 446.591 6.610 30 10 IKEE CCC1(NC(=O)OC(C)(C)C)CC(C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 1947418667 WXDQMEIFLZKMOB-UHFFFAOYSA-N 433.524 5.297 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)C1(CCNC(=O)OC(C)(C)C)CCCCC1 1999578959 QBJSXQRCGBLJNX-HSZRJFAPSA-N 430.633 5.603 30 10 IKEE C=C(F)C[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCCC 2011355145 USOFIORVLOKOAE-JOCHJYFZSA-N 433.612 5.178 30 10 IKEE 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)CC1 2023552495 SCDNFRRJHAKFAX-QEEYODRMSA-N 449.514 5.152 30 10 IKEE Cc1ccc([C@H](C(C)C)n2nc(C3CCC3)c(C#N)c2I)c(F)c1 2079080739 NYUSUDOGSRLYKX-SFHVURJKSA-N 437.300 5.320 30 10 IKEE Fc1cc(-c2c(C(F)(F)F)nn3c(Cl)c4c(nc23)CCCC4)cc(C(F)(F)F)c1 2081499157 WHOPFCXRNQDAPC-UHFFFAOYSA-N 437.746 6.105 30 10 IKEE C=CCCCCCCCC[C@H](O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2086264092 OKVOFGZUNRVGNL-RPLLCQBOSA-N 444.660 5.824 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1cnc(C2CC2)s1 2116334513 YQGNGBJRPNHVRI-HNNXBMFYSA-N 434.359 5.789 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@H]2Nc2ccc(Br)c(C#N)c2)C1 2156240990 FVQQQNHMLOIQKZ-NQIIRXRSSA-N 434.378 5.302 30 10 IKEE C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNc2cccc(Br)c2C#N)cc1 2162316407 LQQYWDKHHJDHHK-AWEZNQCLSA-N 430.346 5.519 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)C1([C@@H]2CCCCO2)CC1 2164398153 LOEHABSVVUUOCM-MSOLQXFVSA-N 435.362 5.432 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc2c1CN(c1ccc(C#N)c(Br)c1)CC2 2174814136 DWGMFOKLDALLGZ-UHFFFAOYSA-N 428.330 5.230 30 10 IKEE Cc1sc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)c(C)c1C 2228570676 GVGMPAIDTLOYBU-QGZVFWFLSA-N 435.387 6.442 30 10 IKEE C=CC[C@H](C)[C@H](NCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229108479 XCCZSTOMNVSQPN-IPELMVKDSA-N 425.411 5.075 30 10 IKEE CCCCCC#CC[C@@H](O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237406123 ZQNXZJGEQXWXHC-VQTJNVASSA-N 438.406 5.220 30 10 IKEE CC(C)c1ccc([C@H]2C(=C(O)c3cc4ccccc4o3)C(=O)C(=O)N2c2nccs2)cc1 2296553711 JJRZHGJEUZJJCB-NRFANRHFSA-N 444.512 5.639 30 10 IKEE Cc1ccc(N=C2NC(=O)C(=Cc3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)S2)cc1 2296648949 NCNHMXBZHWLDOX-UHFFFAOYSA-N 438.892 5.498 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)C(C)(C)[C@H]1CCCCN1C(=O)OC(C)(C)C 2300673573 JOGVGZHBXJEUQC-DHIUTWEWSA-N 430.633 5.553 30 10 IKEE CCCN[C@H](C#C[C@@H](OC)C1CCCC1)CN(Cc1ccccc1)C(=O)OC(C)(C)C 2303640076 ISVFKTVXBNGRHU-DNQXCXABSA-N 428.617 5.001 30 10 IKEE O=C1C(=Cc2ccccc2Br)Oc2cc(OCc3ccccc3F)ccc21 2314437024 AJKGQSAGMAOIDX-UHFFFAOYSA-N 425.253 5.783 30 10 IKEE C[C@@H]1CC[C@@H](C#N)[C@@H](Sc2cc(I)ccc2Br)C1 2316473563 XTWYFWMNBOZJEA-NRUUGDAUSA-N 436.156 5.474 30 10 IKEE FC(F)(F)c1ccc(C=Nn2cnnc2SCc2c(Cl)cccc2Cl)cc1 2318571487 LPMWHAWHTSAKER-UHFFFAOYSA-N 431.270 5.778 30 10 IKEE CCCN[C@@H](C#C[C@H](OC)C1CCCC1)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 2320498377 WYCBRWPPKMUSJF-DQEYMECFSA-N 442.644 5.391 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CC3)n2N=Cc2ccc(C(F)(F)F)cc2)c1 2320855463 DOWNRYVUXJVUQS-UHFFFAOYSA-N 430.499 5.966 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCc4ccc(Cl)cc4Cl)cc(C)c3C2=O)c1 2321784429 ROQSXNLTWYEXFY-UHFFFAOYSA-N 425.311 6.805 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OCc3cc(Cl)cc4c3OCOC4)c2C)C1=O 2321880618 PYALZYXWAPFZPS-UHFFFAOYSA-N 448.902 6.019 30 10 IKEE CCc1ccc([C@@H](C)N2COc3ccc4c(c3C2)OC(=Cc2ccccc2OC)C4=O)cc1 2322259922 IAGJTHBISOCEED-GOSISDBHSA-N 441.527 5.787 30 10 IKEE Cc1ccc(C(=O)C=Cc2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)cc1 2322586353 MDZROOMKQNHYRX-UHFFFAOYSA-N 447.361 7.930 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1cccc([N+](=O)[O-])c1)C2=O)c1cc2ccccc2o1 2322839816 KRSZPSSGJJKXAP-UHFFFAOYSA-N 427.368 5.176 30 10 IKEE COc1cccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)c1OCC(=O)NC1CCCCC1 2322844894 RFIFNSXKSNJPBX-UHFFFAOYSA-N 449.591 5.653 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCc2ccc(Cl)cc2Cl)cc1Cl 2322974857 WWLKCAJZXMMUSP-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2cccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 2323194005 RDGZJZKJIKUXQV-UHFFFAOYSA-N 441.571 6.515 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCc3ccccc3Cl)c2)c(OC)c1OC 2323341324 OYAPRAZPBYVDBB-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1 2323375168 ZHWMDNIMRZSXLM-UHFFFAOYSA-N 437.879 6.122 30 10 IKEE Cc1cc(OC(=O)C=Cc2cccs2)cc2c1C(=O)C(=Cc1ccc3c(c1)OCO3)O2 2323532114 JHJRBPZHOSTLEZ-UHFFFAOYSA-N 432.453 5.020 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OCc3ccccc3C)c(Br)c2)ccc1F 2323972153 ZTSOOIZSKCYLIT-UHFFFAOYSA-N 439.324 6.680 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(OC)c1OCc1cccc(C)c1 2324156427 MQVHTDLQEPKSIN-UHFFFAOYSA-N 430.544 6.611 30 10 IKEE CCCOc1c(OC)cc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)cc1OC 2324324992 LLAFAOHAIMJAQU-UHFFFAOYSA-N 425.308 5.704 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)c1C 2324332706 MXWIUGGPYGHUKA-QHCPKHFHSA-N 441.571 6.073 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)ccc1OCc1cccc(Cl)c1 2324586187 IXIZUJZTHPHQAL-UHFFFAOYSA-N 448.990 7.430 30 10 IKEE Cc1ccc(COc2ccc(C=CC(=O)c3cc(Cl)ccc3Cl)cc2Cl)cc1 2324653865 RMTAXZXQZVCUTE-UHFFFAOYSA-N 431.746 7.430 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(C(C)(C)C)cc3)n2)c1C 2324718980 CMJOJJKIFINVPQ-HSZRJFAPSA-N 442.628 7.231 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)C=Cc2ccccc2Cl)n1 2324781179 MWNXZWHUJNRDMZ-QGZVFWFLSA-N 443.355 6.324 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(C(C)C)cc2)ccc2c1OC(=Cc1ccccc1F)C2=O 2325318626 QYLYYDLUNXAYDV-UHFFFAOYSA-N 445.490 5.891 30 10 IKEE Cc1c(OCC(=O)NC2CCCCC2)ccc2c1OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2325327440 ULCQIJMZJSWOTA-UHFFFAOYSA-N 447.575 5.736 30 10 IKEE COc1ccc(C=C2Oc3cc(OCCc4ccc(C)cc4)cc(C)c3C2=O)cc1OC 2325369864 WKPJGYHMFNDIJA-UHFFFAOYSA-N 430.500 5.558 30 10 IKEE Cc1ccc(CCOc2cc(C)c3c(c2)OC(=Cc2ccc(Cl)cc2Cl)C3=O)cc1 2325372678 JHGBURVVBPICRD-UHFFFAOYSA-N 439.338 6.848 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1N=Cc1c(Cl)cccc1Cl 2325513239 YNNDMEVRXNFJAV-UHFFFAOYSA-N 437.371 6.241 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(C(C)C)cc1 2325572039 CTXQAGDWQUTMDA-UHFFFAOYSA-N 430.980 6.321 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1OC(=O)c1cccc(C)c1 2325668940 VMNLAMBXLVAIAT-UHFFFAOYSA-N 448.518 6.786 30 10 IKEE Cc1cccc(COc2ccc3c(c2C)OC(=Cc2ccc(Cl)cc2Cl)C3=O)c1 2325720943 HQVUKPCVIGTVFA-UHFFFAOYSA-N 425.311 6.805 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2OC)cc1OC(=O)c1cc2ccccc2n1C 2325723399 KGYUFIVJVUCFNY-UHFFFAOYSA-N 441.483 5.311 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)COC)c2)cc1 2325751731 RNLLMJYHCZMYAG-UHFFFAOYSA-N 440.536 5.492 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)[C@@H]3CCCO3)c2)cc1 2325751895 QZTJNWFBUVOPAK-SANMLTNESA-N 436.548 6.016 30 10 IKEE Cc1cnc(C(=O)Oc2cccc(C=CC(=O)c3ccc(Oc4ccccc4)cc3)c2)cn1 2325754780 FBGOSPRVFAZGAF-UHFFFAOYSA-N 436.467 5.693 30 10 IKEE Cc1cccc(CSc2nnc(C)n2N=Cc2ccc(OC(=O)c3cccs3)cc2)c1 2326377436 OFIWMSJEOYJRJQ-UHFFFAOYSA-N 448.573 5.350 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccccc1OC 2326592280 SHQDDNQVAQUTLO-UHFFFAOYSA-N 442.588 5.776 30 10 IKEE CCCc1nnc(SCc2ccc(Br)cc2)n1N=Cc1cccc(OC)c1 2326620944 ICEJMWCYUDNTNO-UHFFFAOYSA-N 445.386 5.176 30 10 IKEE CCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1cn(C)c2ccccc12 2326931009 LDDDLKPORFFMNU-UHFFFAOYSA-N 447.652 5.913 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2C)n1N=Cc1cccc2ccccc12 2327114336 XISPTMLQKMRLLK-UHFFFAOYSA-N 442.588 5.912 30 10 IKEE C=C(C)CSc1nnc(COc2c(C)cccc2C)n1N=Cc1cc(Cl)ccc1O 2328556644 UAWQZYDMAODPSW-UHFFFAOYSA-N 442.972 5.383 30 10 IKEE C=CCOc1ccccc1C=Nn1c(COc2c(C)cccc2C)nnc1SCC(=C)C 2328557020 DDMHORRQPQKLDG-UHFFFAOYSA-N 448.592 5.589 30 10 IKEE CCSc1nnc(COc2cccc(C)c2C)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2328841315 JOXGUYZFPJDLBS-UHFFFAOYSA-N 445.932 5.030 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3F)n2N=Cc2ccc(F)cc2)cc1C 2329423970 PVVXOCUAYXXSNW-UHFFFAOYSA-N 448.542 5.938 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(O)c(OCC)c1 2329571200 SPYCOQZAVIATED-UHFFFAOYSA-N 428.945 5.253 30 10 IKEE Cc1ccccc1CSc1nnc(COc2ccccc2)n1N=Cc1cccc(O)c1 2329883779 RNOKRSWPVXCGFF-UHFFFAOYSA-N 430.533 5.046 30 10 IKEE COc1ccc(C=Nn2c(Cc3ccc(C)cc3)nnc2SCc2ccccc2)cc1 2329990134 FRFVIFVPTNAFNN-UHFFFAOYSA-N 428.561 5.360 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2[C@@H](C)c2ccccc2)cc1 2330050900 SDUQXSZBJBNTDJ-FQEVSTJZSA-N 442.588 5.921 30 10 IKEE COc1ccccc1C=Nn1c(SCc2cccc(F)c2)nnc1[C@@H](C)c1ccccc1 2330077969 DJVVHDMRUWMZOK-SFHVURJKSA-N 446.551 5.752 30 10 IKEE Oc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCc2cccc(Cl)c2)cc1 2330290092 QHUHFXSMPAYMJW-UHFFFAOYSA-N 441.000 5.934 30 10 IKEE O=C(COc1ccccc1)Oc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1Cl 2330662007 CLWAYCGBXBDTKM-UHFFFAOYSA-N 442.898 6.374 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc([N+](=O)[O-])c1OC(=O)C(C)C 2330692708 KLZORKWJIJBARR-UHFFFAOYSA-N 437.492 5.330 30 10 IKEE COc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2cccc(Cl)c2)cc1 2330873265 DSQVRRQLKJHCBV-UHFFFAOYSA-N 428.989 5.703 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1 2330952200 WBGDHKPWDWCEJA-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCOc3ccccc3)c(Cl)c2)cc1 2330961477 BFLHLSISGSSVPK-UHFFFAOYSA-N 436.891 5.619 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2OC)cc(OC)c1OC(=O)Cc1cccs1 2331079420 UQZVSZSUSMXHBJ-UHFFFAOYSA-N 448.540 5.538 30 10 IKEE O=C(Cc1cc(Cl)ccc1Cl)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1 2331138385 ZQXGFRNSECDWAR-UHFFFAOYSA-N 445.729 6.691 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)CCCCCCCC 2331292963 BLWPYHOQINEBFP-UHFFFAOYSA-N 448.603 7.284 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)c3ccccc3)c(OC)c2)cc1F 2331467670 SSJUZONGVYYCSR-KRWDZBQOSA-N 434.463 5.448 30 10 IKEE O=C(COc1ccc(Cl)cc1)Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1 2331469879 GLPYQCUYDYORJD-UHFFFAOYSA-N 442.898 6.374 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccc(F)cc1 2331512743 RSXWVDGZWBRYQO-UHFFFAOYSA-N 425.799 5.503 30 10 IKEE COCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc(F)cc1F 2331612020 UKSROWJKVJKVPA-UHFFFAOYSA-N 443.306 5.184 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1cnccn1 2331653801 NSONJGIMCBMHGW-UHFFFAOYSA-N 430.504 5.224 30 10 IKEE CC(C)c1nnc(SCc2cccc3ccccc23)n1N=Cc1cc(Cl)ccc1O 2331706487 YKJPBZBWWYSZAI-UHFFFAOYSA-N 436.968 6.088 30 10 IKEE CC(C)c1ccccc1-n1nnc(C#N)c1NC(=O)C=Cc1ccc(Cl)cc1Cl 2332187590 UIPRJKRKSKLNSG-UHFFFAOYSA-N 426.307 5.221 30 10 IKEE C=CCC(CC=C)C(=O)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2338854290 MIOKLESZOYNHND-GDLZYMKVSA-N 442.555 6.216 30 10 IKEE C[C@@H](Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCN(Cc2ccccc2)C1 2339545452 WOEQDXBCBNCCNX-NFBKMPQASA-N 433.405 5.049 30 10 IKEE C=CCC(CC=C)[C@@H](NCCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2364009665 BSBVOAONQQXXHN-HXUWFJFHSA-N 437.422 6.605 30 10 IKEE CCc1ccc(NC(=S)N/N=C2\C(=O)N(Cc3cccc(Cl)c3)c3ccccc32)cc1 3041561 PZTGSQYCZAAUHW-QYQHSDTDSA-N 448.979 5.140 30 10 IKEE Fc1cccc(-c2nc3cc(/N=C/c4cccc(I)c4)ccc3o2)c1 3113123 QOCTUPNNVRSWAH-FSJBWODESA-N 442.231 5.989 30 10 IKEE C=CCn1c(SCC(=O)c2ccc(C)cc2)nc2scc(-c3ccccc3)c2c1=O 9041537 VEZKNPHEEOJJHN-UHFFFAOYSA-N 432.570 5.594 30 10 IKEE C=CCOc1ccc(C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cc1Br 9259400 AROFTSVQJVNRII-UHFFFAOYSA-N 431.330 5.251 30 10 IKEE CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(OC)c1 9861357 FNGFQLCUZHNXMT-SANMLTNESA-N 434.536 5.401 30 10 IKEE O=C1/C(=N\Nc2ccc(Oc3ccccc3)cc2)C(c2ccccc2)=NN1c1ccccc1 12275914 NOMSBCVLZBJPBF-WCTVFOPTSA-N 432.483 5.698 30 10 IKEE O=C1N[C@](c2ccccc2)(C(F)(F)F)S/C(=N/c2ccccc2)N1c1ccccc1 12620358 BKVSGKFSOGKEMG-QRUUQNQBSA-N 427.451 6.052 30 10 IKEE O=C(/C=C\Nc1ccc(Cl)cc1)c1cccc(OCc2ccc(Cl)cc2Cl)c1 12957062 QGNAOXHJIRRLGN-KHPPLWFESA-N 432.734 7.034 30 10 IKEE C=CCNC(=O)c1cccc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@H]21 14549271 ZHAPOXRISCLZND-APJNYFBKSA-N 430.551 6.735 30 10 IKEE CCc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(Cl)ccc2O)cc1 20881550 OKKLWSGHFNFHER-DNOBIOAJSA-N 444.962 6.588 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2F)cc1 21250768 DXJMKBDEXHCRJT-DNOBIOAJSA-N 428.507 6.204 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc3ccccc3c2)cc1 21257781 WPQBDNYUSKCVGT-LADGPHEKSA-N 425.528 5.633 30 10 IKEE Cc1nc(C)c2c(C)c(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)sc2n1 32290265 LYOIAOBKJPWEOO-UHFFFAOYSA-N 428.517 5.320 30 10 IKEE CCCn1cc(CN/C(=N/C(=O)c2ccc(Cl)cc2)Nc2cc(C)cc(C)c2)c(C)n1 32973004 IWAFVAXDMBNESH-UHFFFAOYSA-N 437.975 5.270 30 10 IKEE CCOc1ccc(/C=C2\S/C(=N/c3cccc(C(=O)O)c3)N(c3ccccc3)C2=O)cc1 39866783 GRJZKYFEYYXBFT-INCSMEFSSA-N 444.512 5.592 30 10 IKEE C=CCOc1cccc([C@H]2c3c(-c4cc(Cl)c(C)cc4O)n[nH]c3C(=O)N2CCC)c1 39914263 CJPNGHUNOAXBEV-QHCPKHFHSA-N 437.927 5.264 30 10 IKEE CCN1/C(=C2/S/C(=N/C3CCCCC3)N(c3ccc(C)cc3)C2=O)Sc2ccccc21 100202054 SYXXEDPXRNHKLT-QPRJYHLLSA-N 449.645 6.565 30 10 IKEE CCCCCCCOc1cccc(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 100973322 GGAIIWXTRSTUDQ-UHFFFAOYSA-N 443.893 6.726 30 10 IKEE CCCCCCCCCn1c(CCCNC(=O)c2cccc(Cl)c2)nc2ccccc21 102151996 ZCDCYFCZOMDMER-UHFFFAOYSA-N 440.031 6.803 30 10 IKEE CCCCCCCCCCCn1c([C@@H]2CC(=O)N(c3ccccc3F)C2)nc2ccccc21 102202749 WIHFVBZIIIMJNK-JOCHJYFZSA-N 449.614 7.227 30 10 IKEE Fc1ccc(N/N=C/c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1 169879154 AGZIRZBIKCYOJO-LUJVFJMUSA-N 434.518 6.627 30 10 IKEE CCCN1C(=S)N[C@H](c2ccccc2Br)C(C(=O)c2ccccc2)=C1C 169928619 OCLHOZXSJMKYKJ-LJQANCHMSA-N 429.383 5.247 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(Oc3ccc(C)c(C)c3)cc2)NC(=S)N1 169937861 CDOKDEBXRHQZRM-DEOSSOPVSA-N 428.557 5.771 30 10 IKEE CCCCCOc1ccc(/C=N\Nc2nc(-c3cccs3)c(C)s2)cc1OCC 169942731 DLUUEQBXTJOEPT-HAHDFKILSA-N 429.611 6.594 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2cccc(C)c2)cc1 169969700 KIWOFDFWDOEKSV-HSZRJFAPSA-N 431.919 5.994 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2cccs2)cc1 169982979 HTPUDDPBMAWBNK-OAQYLSRUSA-N 448.500 5.563 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccccn2)cc1 169991827 ODXJJKKBZGKKBH-JOCHJYFZSA-N 432.907 5.641 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2cccnc2)cc1 170002933 IYTJQMLWMUOCSF-AREMUKBSSA-N 448.522 6.141 30 10 IKEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1cccnc1)c1cccc(Cl)c1 170013187 MUDFQQHOXKMUTP-IBGZPJMESA-N 447.903 5.128 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)C)cc2)cc1 170067062 GKDIUNXXQBAFIH-DEOSSOPVSA-N 429.516 5.744 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2cccc(O)c2)cc1C 170081032 FYPJXOAZWQUBEH-JOCHJYFZSA-N 433.891 5.445 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(N(C)C)cc2)cc1 170129984 BUNPUAIPOGIBGK-XMMPIXPASA-N 448.563 5.061 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2cccc(C)c2)cc1 170142036 ZWXZNNLAIDOFQY-AREMUKBSSA-N 437.539 5.965 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 170142413 FRPSYBGJQCXUOK-SANMLTNESA-N 448.522 5.528 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@H]1c1cccs1 170158877 PSUZFJVZPBQAIT-QFIPXVFZSA-N 433.529 5.465 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccncc2)cc1C 170202296 UVVDSXYKZGITMT-VWLOTQADSA-N 434.495 5.635 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2)c1 170226109 YQRQLZIVYSJNEB-DEOSSOPVSA-N 427.500 5.504 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccccc1)c1cc2cc(Cl)ccc2o1 170231299 PLKILSMXTQQIAI-QFIPXVFZSA-N 444.874 5.260 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(F)cc1)c1ccc2ccccc2c1 170237454 IZOMKYIIIJMKLV-HSZRJFAPSA-N 443.499 5.819 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 170241150 MVZQNYPYOIEYAV-IBGZPJMESA-N 446.261 5.504 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccc(O)c2)c1 170259766 YTSWIZGVVJULJH-DEOSSOPVSA-N 443.499 5.272 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cccc(O)c1)c1ccc(Cl)c(Cl)c1 170261872 IQEKCIHPGJQRMJ-FQEVSTJZSA-N 446.330 5.610 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@H]1c1ccc(CC)cc1 170267857 QRUSZMKMXHGWCA-OAQYLSRUSA-N 427.928 5.289 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2C2CCCC2)cc1 170268713 GECVFDDRNHCJGU-DEOSSOPVSA-N 431.532 5.095 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(C)o2)c1 170301298 RJFHPSGNDYZMDF-QHCPKHFHSA-N 447.487 5.168 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)c1 170431004 RWDIQKVEUUYCFM-LJQANCHMSA-N 443.377 5.090 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cccc(C)c2C)cc1 170453523 ILHUXMSNTBXGQP-DEOSSOPVSA-N 444.531 5.526 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2Cc2ccc(OC(C)(C)C)cc2)c1 170458232 YFOXAOUXMDTYCO-JOCHJYFZSA-N 435.564 5.683 30 10 IKEE CCCCCCCCCC(=O)O[C@@H]1CC[C@@H]2[C@H]3CC[C@@H]4CC(=O)CC[C@H]4[C@@H]3CC[C@@]12C 248238687 DCESQVOXBITSNE-CENIZMIXSA-N 430.673 7.261 30 10 IKEE Oc1oc(-c2ccccc2)nc1C=NNc1nc(-c2ccccc2)cc(-c2ccccc2)n1 254679454 LFXBGOBKBABKJQ-UHFFFAOYSA-N 433.471 5.617 30 10 IKEE CCc1ccc(NC(=S)NN=C2C(=O)N(Cc3cc(C)ccc3C)c3ccccc32)cc1 254869388 IIOQULHHIKEEGA-UHFFFAOYSA-N 442.588 5.103 30 10 IKEE CCCn1ncc(Br)c1C(=O)/C=C/c1ccc(NC(=O)OC(C)(C)C)cc1 405936117 PQHSPYDTISGWAN-DHZHZOJOSA-N 434.334 5.299 30 10 IKEE CC(C)(C)OC(=O)/C=C\[C@H]1[C@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C 514268746 ZKSDXGULOGNJAQ-GMWIRZCZSA-N 447.531 5.757 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1ccc(OC)c(O)c1Cl 526811155 CPTGBLLQFDTSNN-MSXFZWOLSA-N 444.988 5.390 30 10 IKEE CCCCOc1cccc(/C=N\n2c(CC)nnc2SCc2cccc(Cl)c2)c1 526811166 CUZZFRNGMVDNHA-IWIPYMOSSA-N 428.989 5.847 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1ccc(Cl)c(Cl)c1 526819099 OVVDQUAPIIMCAI-MXAYSNPKSA-N 447.435 6.719 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)N[C@@H](C)c3ccccc3)C2)c1 585933492 VNLJOEUOLWQZRF-RDPSFJRHSA-N 448.611 5.189 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 698485436 QZFDBFVIWDBAJL-MZNJEOGPSA-N 429.561 5.276 30 10 IKEE C[C@@H]1c2ccccc2C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 698967067 UXZWPMSRUDSWQE-IVZQSRNASA-N 427.342 5.813 30 10 IKEE N#C[C@@H](C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)C1CCCCC1 700310186 GOJCBHLIRYJADW-HOYKHHGWSA-N 432.520 5.088 30 10 IKEE C=CCCCCC[C@H](O)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 708596234 CVCILOLUIQKTQA-MOPGFXCFSA-N 426.395 5.382 30 10 IKEE C=C1CCC(C[C@H](O)C2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)CC1 724592059 HYARQSPBMQSQBD-QHCPKHFHSA-N 428.617 5.043 30 10 IKEE CCCN1/C(=N/c2cccc(C(F)(F)F)c2)S[CH][C@@H]1c1ccc(Br)cc1 1616119485 HDFCNCXVPRIMEC-KJCFGCQTSA-N 442.324 6.817 30 10 IKEE Cc1cccc(N=C2S/C(=C\c3ccc(OCc4ccc(Cl)cc4)cc3)C(=O)N2C)n1 1772730942 HJHYIVDTDDJQOK-PAMLCIOASA-N 449.963 5.856 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc3c(OC(=O)NCc4ccccc4F)cccc23)c1 1858944800 QZEHSIIFUDOJEV-UHFFFAOYSA-N 439.446 5.391 30 10 IKEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)COc1ccc(Cl)c(C)c1 1861638312 OCAJIWKLCNYIRV-UHFFFAOYSA-N 425.013 5.179 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@@H]2c2ccccc2C)c1 1862429916 XQCJQNOFIRMNJI-DEOSSOPVSA-N 445.946 6.044 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccc(Cl)cc1)c1ccccc1Cl 1862431388 GIMIJCPOFZIBLW-NRFANRHFSA-N 444.358 6.295 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccccc1C 1862441585 ALQHDADUXSPZBA-NZQKXSOJSA-N 439.983 6.586 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(C(C)C)cc1 1862463851 LOQOTMCWHXMMGI-QFIPXVFZSA-N 445.481 5.996 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(F)cc2)cc1 1862474930 YXQYGCRPKYBKLF-DEOSSOPVSA-N 429.491 5.264 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccc(Cl)cc2)cc1 1862476669 MXAFTIIBYKMLBS-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccccc2)cc1 1862514592 MVXTVAHPTKMNGF-XMMPIXPASA-N 433.548 5.777 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc3ccccc23)cc1 1862530983 CMOMHZNMQGUJQB-SANMLTNESA-N 448.522 5.576 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc(C(C)C)cc2)cc1 1862535366 YOWFKBANJLDRLD-OXTYCOSGSA-N 445.603 6.529 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2ccc(Cl)cc2Cl)cc1 1862538254 FAZNFELXIPKKKQ-XCLFUZPHSA-N 432.347 5.933 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C(C)C)cc1 1862554310 ZTCRBGCLILLEBJ-RUZDIDTESA-N 447.575 5.731 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccc1 1862648698 IMLDFXJMWSUHTN-FMNCTDSISA-N 425.528 5.997 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2ccc(Cl)cc2)cc1 1862659788 APEOPHRWZREPIB-JOCHJYFZSA-N 441.955 5.204 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1 1862675716 RTVGONIUVPMHKD-JOCHJYFZSA-N 443.946 6.418 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2C2CCCCCC2)c1 1862704025 OPCXJZXPQKXHQC-XMMPIXPASA-N 449.547 5.395 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862718096 STPIRGBAVVDEFL-BXKMTCNYSA-N 429.516 5.615 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 1862735881 SESAXMHDPZEVNU-OAQYLSRUSA-N 438.455 5.035 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccc(Cl)c2)[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 1862736781 OFMVIKMRKMKWKY-OAQYLSRUSA-N 448.862 5.027 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2C2CCCCCCC2)c1 1862746224 BCKNAWULCCISHH-HSZRJFAPSA-N 448.519 5.594 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C(=O)N1C1CCCCCCC1 1862746634 HSVVGRGFAJNYEB-HSZRJFAPSA-N 448.519 5.594 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)c2cc(=O)c3cccc(C(C)C)c3[nH]2)c1 1866500761 URUWAFFYBRKMOB-UHFFFAOYSA-N 449.510 5.315 30 10 IKEE C[C@@H]1Cc2ccccc2N(c2cc(Nc3ccc(C#N)cc3)nc(Cc3ccccc3)n2)C1 1868219702 HXYSJUATHZBFRF-HXUWFJFHSA-N 431.543 6.013 30 10 IKEE CCc1nc(Nc2ccccc2C#N)cc(N2CCc3cc(C)ccc3[C@H]2CC(C)C)n1 1868286708 RSBUNWSOGVAGSD-XMMPIXPASA-N 425.580 6.113 30 10 IKEE COc1ccc2c(c1)C[C@@H](C)CN2c1cc(Nc2ccc(C#N)cc2)nc(-c2ccccc2)n1 1868375982 DZAUFIGIQGQQSQ-LJQANCHMSA-N 447.542 6.098 30 10 IKEE N#Cc1nnn(-c2ccc(Oc3ccccc3)cc2)c1NC(=O)/C=C/c1ccccc1Cl 1870141099 ZPHULRFWCWKVGX-XNTDXEJSSA-N 441.878 5.237 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(C)cc2)c(=O)cc1CSC(C)(C)C 1870218079 CIQJMIOKDJGJRT-UHFFFAOYSA-N 429.670 7.128 30 10 IKEE CCCCCCCCn1cc(OCC(=O)N2CCC(C)CC2)c(=O)cc1CSCC 1870279749 MALCGZYYSWXIPP-UHFFFAOYSA-N 436.662 5.099 30 10 IKEE CCCCCCCCCCn1cc(OCCOC(C)C)c(=O)cc1CN(C)CCCC 1870548556 IQOSLVSGWJYCJR-UHFFFAOYSA-N 436.681 6.025 30 10 IKEE CCCCCCCCCCn1cc(OCc2cccc(C)c2)c(=O)cc1CN(C)CCO 1870623686 MGYIVCKOILXWIV-UHFFFAOYSA-N 442.644 5.301 30 10 IKEE C=CCn1cc(OCc2c(C)cccc2C)c(=O)cc1CNc1ccc(C(C)(C)C)cc1 1870920473 QDODGPRKWAXCAH-UHFFFAOYSA-N 430.592 6.140 30 10 IKEE C=CCn1cc(OCc2ccccc2Cl)c(=O)cc1CNc1cccc(Cl)c1C 1871241466 AAXZHEWYFMIKNM-UHFFFAOYSA-N 429.347 5.841 30 10 IKEE Cc1cccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2cc(C)ccc2C)C4)c1 1871348559 GJHCRUFNYVQZBP-MXAYSNPKSA-N 425.528 5.889 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O)c1ccc(Cl)c(Cl)c1 1871372380 OGDNPJWRANKYQH-UKWGHVSLSA-N 429.230 5.968 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4cccc(OC(C)C)c4)c3C)C2=O)cc1 1871387905 DQMARHKVOOKWCS-OYKKKHCWSA-N 444.483 5.626 30 10 IKEE CCCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871391297 WVOMDZOBALOAHG-HMAPJEAMSA-N 446.455 5.437 30 10 IKEE Cc1cc(O)c(CN2CCc3ccccc3C2)c2c1C(=O)/C(=C/c1ccccc1Cl)O2 1871394788 QOEVQOPTTUWSDZ-QRVIBDJDSA-N 431.919 5.529 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)OC(C)C)cc2c1C(=O)/C(=C/c1cccc(Br)c1)O2 1871400801 LPGDOUCUKRLESI-VAODSVERSA-N 445.309 5.093 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCCCOc4ccc(OC)cc4)ccc3C2=O)cc1 1871415555 IIILGARYHTWPIP-XYGWBWBKSA-N 432.472 5.168 30 10 IKEE COc1ccc(-c2c(C)c3cc(OCc4ccc(C#N)cc4)ccc3oc2=O)cc1OC 1871417615 MHJPRVGIDHZDRL-UHFFFAOYSA-N 427.456 5.236 30 10 IKEE CCCCCCOC(=O)COc1ccc2c(c1)O/C(=C\c1cn(CC)c3ccccc13)C2=O 1871421570 GMWCWKDOKFXJJM-MYYYXRDXSA-N 447.531 5.780 30 10 IKEE CCc1cccc(CC)c1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1cccs1)C2=O 1871455277 JSDDCELVRNTMKT-HMAPJEAMSA-N 447.556 5.815 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cccc(Cl)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872246772 LSRATQYJSBMLDJ-PGRDOPGGSA-N 449.016 5.269 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cccc(C)c1C)c1ccccc1)S(=O)(=O)c1ccccc1 1872514409 HGAUHWISWRFFOF-VWLOTQADSA-N 448.588 5.250 30 10 IKEE CCc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc1 1872780485 JCEOTABMNXGFJN-JOCHJYFZSA-N 448.588 6.033 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)/C=C/c2cccc(Cl)c2)n1 1872785402 MBQTZSMNWSRRFU-FKVRIVCVSA-N 434.992 6.959 30 10 IKEE C=CCn1c(C(=O)Nc2ccccc2C(C)C)cc2c(NCCCCCCCC)ncnc21 1873621608 ZFZWWRMIABUKNS-UHFFFAOYSA-N 447.627 6.765 30 10 IKEE Cc1c(CCC(=O)Nc2cccc(C#N)c2)c(=O)oc2c(C)c3occ(C(C)(C)C)c3cc12 1873866727 DTPGOOFDYXNASS-UHFFFAOYSA-N 442.515 5.897 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)oc2c1 1873942121 PPTPRIQJBBCTHK-UHFFFAOYSA-N 431.410 5.256 30 10 IKEE CCCc1ccc(OCc2nnc(SC)n2/N=C/c2c(Cl)cccc2Cl)cc1 1874256643 LISPGRKLSGDKEN-FSJBWODESA-N 435.380 5.721 30 10 IKEE OCCCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1cccc(Cl)c1 1874271107 FILOYNVSEDHMHK-PCLIKHOPSA-N 436.968 5.032 30 10 IKEE C=C(C)CSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1ccc(C(=O)O)cc1 1874288191 RORLQWXZDJKKSN-MFKUBSTISA-N 440.613 5.991 30 10 IKEE Clc1ccccc1/C=N/n1c(COc2ccccc2)nnc1SCCc1ccccc1 1874385950 QSCGOIKLNDWPNX-YZSQISJMSA-N 448.979 5.728 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)cc3)n2/N=C/c2ccccc2C)cc1 1874386407 NTMCESLLMILXEX-WPWMEQJKSA-N 426.589 5.969 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3ccccc3F)nnc2[C@H](C)c2ccccc2)c1 1874395166 FWIFSSGBVDXSKS-BWJYWGHISA-N 430.552 6.052 30 10 IKEE Cc1cccc(CSc2nnc(-c3cccs3)n2/N=C/c2cccc([N+](=O)[O-])c2)c1 1874421740 BOBUYGINWPFFBB-LPYMAVHISA-N 435.534 5.398 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2[C@@H]2CCCO2)cc1 1874450389 ALECZTJVHMKLQV-OGBFJMLUSA-N 447.391 5.919 30 10 IKEE Clc1cccc(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2cccc3ccccc23)c1 1874451460 ZYMKNMMNVZTAHB-WGLQLPMYSA-N 448.979 6.111 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(C2CCCC2)n1/N=C/c1cccs1 1874456494 ADFDHTBRGGTQKG-SSDVNMTOSA-N 437.421 6.479 30 10 IKEE Oc1ccccc1/C=N/n1c(SCc2ccc(Cl)c(Cl)c2)nnc1C1CCCC1 1874457224 HGESAKNFHRLLOB-WYMPLXKRSA-N 447.391 6.123 30 10 IKEE CCCCCCOc1ccc(/C=N/n2c(SCC)nnc2C(F)(F)F)cc1OC 1874460470 WEEAKOASBGFQKI-YDZHTSKRSA-N 430.496 5.259 30 10 IKEE COCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1cccc(F)c1 1874472949 FQMRGQGFJZMJQP-FOKLQQMPSA-N 439.343 5.087 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1cccc(OC)c1 1874480400 VJFFUDZUIFVXMS-ZMOGYAJESA-N 449.407 6.111 30 10 IKEE CC(C)c1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc2c(c1)OCCO2 1874515758 ORRHFZYKXUMSHX-FSJBWODESA-N 428.945 5.001 30 10 IKEE O=C(O)c1ccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C2CC2)cc1 1874520299 BABNNAJNTXGMSZ-AUEPDCJTSA-N 447.347 5.335 30 10 IKEE CCc1ccc(C(=O)/C=C/c2c(OCC(=O)NCc3ccccc3)ccc3ccccc23)cc1 1874573144 XUKQYXDNVJMBJT-ISLYRVAYSA-N 449.550 5.994 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2cccc(Cl)c2)cc1 1874573853 IKLNKIDRUYOCCK-WUKNDPDISA-N 434.963 7.166 30 10 IKEE CCCN(CCC)C(=O)COc1c(/C=C/C(=O)c2ccccc2)cc(Cl)cc1OC 1874578235 CNYLPCLTVLVXLZ-VAWYXSNFSA-N 429.944 5.272 30 10 IKEE Cc1cccc(COc2ccc3ccccc3c2/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)c1 1874590060 QUKFWJWAGMHLPS-WUKNDPDISA-N 448.606 8.229 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3cccc(C)c3C)c2)c(OC)c1 1874600411 KWGSEKQRPZLTCK-SDNWHVSQSA-N 445.515 5.234 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc(Cl)c1OCCO 1874638800 SLVBGFOGODKGAM-CSKARUKUSA-N 426.896 5.168 30 10 IKEE COc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3cccc(Cl)c3)c2)cc1[N+](=O)[O-] 1874699457 WFLKQZPXNDGFGR-CSKARUKUSA-N 437.835 5.372 30 10 IKEE CCCCCCCCC(=O)Oc1cccc(C(=O)CCN(CCCC)CCCCCC)c1 1874737444 ZTDBUFKTAJTCMQ-UHFFFAOYSA-N 445.688 7.598 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)ccc1OC(=O)Cc1ccccc1OC 1875102904 GZKRUJCVKHGABH-FOWTUZBSSA-N 444.527 5.701 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1OC(=O)C(C)(C)C 1875104476 ZCNMJLFULIZQGY-VMPITWQZSA-N 441.738 6.503 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)c1cc(C)cc(C)c1 1875137980 LOLZKFQQPQFBEY-MDZDMXLPSA-N 444.527 6.053 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)Cc1ccccc1F 1875140425 GDZDWZRQFPYNQA-ACCUITESSA-N 432.491 5.885 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)[C@H](C)c1ccccc1 1875157144 PUQOONNYTKVZPC-KDHISYJLSA-N 442.555 6.814 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc(OC)c1OC(=O)C1CC1 1875180079 KYEGGIHCCFFESU-JXMROGBWSA-N 440.923 5.606 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2ccccc2F)cc1 1875184615 IREBNPKMEBXCRP-FOWTUZBSSA-N 430.519 6.476 30 10 IKEE CCCCCCCCCC[C@@H](CCCN(Cc1ccccc1)C(=O)OC(C)(C)C)NC 1915244488 IRNDOEXHIBLHSQ-VWLOTQADSA-N 432.693 7.323 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](O)c1ccc(NC(=O)OC(C)(C)C)cc1 1922056369 DKVPOZFNIGEQJM-RPWUZVMVSA-N 440.584 5.208 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1ccc(CNC(=O)OC(C)(C)C)s1 1922112308 LVGGZRUHMMUSBB-QFIPXVFZSA-N 430.614 5.587 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@]1(C#N)CC[C@H]1NC(=O)OCc1ccccc1 1959030386 LDQGSBYIANOMAD-PXDATVDWSA-N 441.572 5.297 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC=CCC1 2019449030 XPMNBCLXHRWQKV-SGNDLWITSA-N 428.617 5.377 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)NCCC 2024150586 LHYQJHSTABKWDS-QTJGBDASSA-N 430.633 5.601 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)CC12CCC2 2038095635 FUYCDEHBPKQXPW-XMMPIXPASA-N 445.535 5.393 30 10 IKEE O=C1C(=Cc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)COc2ccccc21 2040457568 OPMTUKYFMMVCPK-UHFFFAOYSA-N 448.518 6.503 30 10 IKEE CC[C@@H]1CN=C(Nc2ccc(C(=O)C=Cc3cc(Br)ccc3F)cc2)S1 2040480986 FBAMVIKJFDGUEB-QGZVFWFLSA-N 433.346 5.778 30 10 IKEE CC1CCN(S(=O)(=O)c2ccc(C(=O)C=Cc3ccc(-c4ccccc4)cc3)cc2)CC1 2053615095 XYCQLOHKGJQYFM-UHFFFAOYSA-N 445.584 5.670 30 10 IKEE CCOC(=O)c1c(C(C)(C)C)nn(Cc2cccc(C(F)(F)F)c2F)c1C(F)(F)F 2079032538 FNCJBMJIQXAHLM-UHFFFAOYSA-N 440.359 5.582 30 10 IKEE CCc1ccc([C@@H](n2nc(C(F)F)c(C#N)c2I)C(C)(C)C)cc1 2079137446 ANQHUKMJVCOJQS-OAHLLOKOSA-N 443.279 5.495 30 10 IKEE CC(C)[C@@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)F)c(C#N)c1Br 2079847169 ORBHMDKHBZCSFV-ZDUSSCGKSA-N 440.185 5.858 30 10 IKEE N#Cc1c(C(F)F)nn([C@@H](c2ccc(C(F)(F)F)c(F)c2)C2CC2)c1Br 2079848047 CADPIYKSYVOGJJ-CYBMUJFWSA-N 438.169 5.612 30 10 IKEE COc1c2c(nc3c(-c4ccc(F)c(C(F)(F)F)c4)c(C(F)(F)F)nn13)CCCC2 2081158743 DGPGUZYOTNPOPU-UHFFFAOYSA-N 433.327 5.460 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](CNc2ccc(C#N)c(Br)c2)C(F)(F)CC1 2162283941 ICUIWKNYVSHJIM-CQSZACIVSA-N 444.320 5.015 30 10 IKEE CCC#CC[C@H](NCCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237405095 NDQUGSJAYUSSED-PMACEKPBSA-N 437.422 5.057 30 10 IKEE C=CC1(C[C@H](NC)[C@H](Cc2ccccc2Br)NC(=O)OC(C)(C)C)CCC1 2237428525 OMEAIZNCOYFDFX-OALUTQOASA-N 437.422 5.219 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCCCN)c1cc(Br)c(Cl)s1 2252331466 XNOAMOVINTYWLV-KRWDZBQOSA-N 430.795 5.344 30 10 IKEE C=CCCC1(C(=O)c2c(F)ccc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2266232235 BSNXFWFDGJNPRJ-UHFFFAOYSA-N 430.289 5.113 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(OCCSc3ccc(Cl)cc3)cc2)SC1=S 2293641254 QBNUNFNIAKLLDV-UHFFFAOYSA-N 448.034 5.898 30 10 IKEE CCCCOc1ccc(C(=O)C(=Cc2ccc(OCC)cc2)c2nc3ccccc3o2)cc1 2296696737 XKFUFHLEJRHHES-UHFFFAOYSA-N 441.527 6.829 30 10 IKEE N#Cc1ccc(N2C(=S)C3(CCCCC3)[C@H](N3CCCCC3)C2=NC2CCCCC2)cc1 2297382628 SMXIDLKERQIBJL-XMMPIXPASA-N 448.680 6.242 30 10 IKEE O=C(C=Cc1ccccc1OC(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1 2314430036 UVVCQMPGFNCQDI-UHFFFAOYSA-N 441.708 6.218 30 10 IKEE Cc1cc(OCc2ccc([N+](=O)[O-])cc2)cc2c1C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)O2 2321852326 STTODFGQZZSNTN-UHFFFAOYSA-N 432.388 5.007 30 10 IKEE O=C1C(=CC=Cc2ccccc2)Oc2c1ccc1c2CN(CCc2nc3ccccc3[nH]2)CO1 2322171076 LHMJXOQOHMPCLT-UHFFFAOYSA-N 449.510 5.130 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(Cl)cc2C=CC(=O)c2ccc(F)c(C)c2)o1 2322634740 YLUXFOAHJIBYCV-UHFFFAOYSA-N 442.870 6.032 30 10 IKEE COc1cc(Br)cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)c1OCCO 2322687613 ZSXZDJPPJOOOJW-UHFFFAOYSA-N 433.342 5.022 30 10 IKEE CCCOc1ccc(Br)cc1C=CC(=O)c1cc(OCC)ccc1OCC 2322860367 QNRDTSFRRZNOBE-UHFFFAOYSA-N 433.342 5.931 30 10 IKEE Cc1c(OC(=O)Cc2ccc(Cl)cc2)ccc2c1OC(=Cc1ccc3c(c1)OCO3)C2=O 2322894428 LODQXZYOUZNKCM-UHFFFAOYSA-N 448.858 5.141 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2cc(C)ccc2C)cc1Cl 2322981216 OXRDDCBQTDVSLA-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE CCc1ccccc1NC(=O)COc1cccc(C=CC(=O)c2ccc3c(c2)CCCC3)c1 2323057628 UPOAOSQCHIHUIV-UHFFFAOYSA-N 439.555 6.041 30 10 IKEE CCCOc1c(Cl)cc(C=NNc2nc(O)cc(-c3ccc(OC)cc3)n2)cc1Cl 2323260542 TZSBINTVCLLGHQ-UHFFFAOYSA-N 447.322 5.399 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(-c4ccccc4)cc3)cc2)c1 2323345056 GGQAVCAOOBYBIF-UHFFFAOYSA-N 447.534 6.576 30 10 IKEE Cc1ccc(C=CC(=O)N2CCC[C@H](C(=O)Nc3scc(C(C)(C)C)c3C#N)C2)cc1 2323602806 GVMDSXBLGICACZ-IBGZPJMESA-N 435.593 5.116 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)ccc1OCC(=O)Nc1cccc(C)c1 2323647589 YKGWILKKNYXOJJ-UHFFFAOYSA-N 445.515 5.316 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)cc1 2323790678 CDXSVEJKVOAQQC-UHFFFAOYSA-N 442.511 6.218 30 10 IKEE Cc1cc(OC(=O)c2ccc(OC(C)C)cc2)cc2c1C(=O)C(=Cc1ccccc1Cl)O2 2323813438 MIFVREQGXPSKBV-UHFFFAOYSA-N 448.902 6.271 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OCc3ccc(F)cc3)cc2)cc1 2324208844 WLKKPBXOTQLPFB-UHFFFAOYSA-N 446.562 7.650 30 10 IKEE Cc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1C)OC(=CC=Cc1ccccc1)C2=O 2324412877 BEMLVEYPEUHBTA-FQEVSTJZSA-N 439.511 5.882 30 10 IKEE Cc1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2cccs2)C3=O)c1C 2324499255 VTMPKXXZJWRNBY-KRWDZBQOSA-N 433.529 5.696 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(O[C@@H](C)C(=O)Nc3cccc(C)c3C)c2C)C1=O 2324505636 HJAXSIHYAYRLPN-FQEVSTJZSA-N 441.527 5.942 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(Cl)cc3Cl)n2)cc1F 2324628251 WFVCOGZMTKUJDG-OAHLLOKOSA-N 447.318 6.154 30 10 IKEE COc1ccc(OC)c(C=C2Oc3c(ccc(OCc4ccc(C#N)cc4)c3C)C2=O)c1 2324757091 IWPOSVWRWHCPNS-UHFFFAOYSA-N 427.456 5.079 30 10 IKEE CC(C)COc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccccc3Cl)c2)cc1 2325717778 JVZGBBPNVHIMHQ-UHFFFAOYSA-N 434.919 6.490 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cccc(Br)c3)c2)cc1 2325719241 WXJJFLKTYHWTDN-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE CCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1N=Cc1ccc(O)cc1 2325846184 ZAPKYAPTTWMGND-UHFFFAOYSA-N 438.597 5.287 30 10 IKEE C=C(C)CSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1ccccc1C 2325912292 FMGBVBIZIKZSOI-UHFFFAOYSA-N 447.391 6.023 30 10 IKEE CCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccccc1COc1ccccc1 2326296210 VMIWNBCBXKOGKB-UHFFFAOYSA-N 442.588 5.902 30 10 IKEE CCCSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1ccccc1OC 2326338550 UDHPFKUWUIVQMU-UHFFFAOYSA-N 438.597 5.245 30 10 IKEE CCCOc1ccccc1C=Nn1c(COc2cc(F)ccc2F)nnc1SCCC 2327476519 NZRYIYFQVRVWGY-UHFFFAOYSA-N 446.523 5.308 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccc(Cl)cc3)n2N=Cc2ccco2)c1 2327527074 OEWHHFWHLYMAMH-UHFFFAOYSA-N 438.940 5.586 30 10 IKEE Fc1ccc(C=Nn2c(CCc3cccs3)nnc2SCc2ccccc2)c(F)c1 2329663474 FOJIZXRKDZMPNF-UHFFFAOYSA-N 440.544 5.578 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccccc3C)nnc2[C@H](C)c2ccccc2)cc1 2330057107 GAVMHINEPPMFTH-HXUWFJFHSA-N 442.588 5.921 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)Cc1ccccc1F 2330640120 HDORDFCLXSQWTQ-UHFFFAOYSA-N 449.434 5.177 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)Cc3cc(C)ccc3C)c(OC)c2)c1 2330799860 MGABXELTXRKIBB-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE CCCOc1ccc(C=Nn2c(SCCc3ccccc3)nnc2-c2ccco2)cc1 2331211434 DGVBQURIYVVLLP-UHFFFAOYSA-N 432.549 5.544 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)cc3)c([N+](=O)[O-])c2)ccc1F 2331339495 LFVAYRSCCUITAW-UHFFFAOYSA-N 439.826 5.811 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(CC(C)C)nnc1SCc1cccc(C)c1 2331440104 CFNBRZSBUMVKHG-UHFFFAOYSA-N 444.604 6.121 30 10 IKEE COc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3cccc4ccccc34)cc2)cc1 2331470197 RKKDRGJFHWIEAT-UHFFFAOYSA-N 438.479 5.729 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc([N+](=O)[O-])c1OC(=O)C1CC1 2331651960 KOWVEDRTGSSAEB-UHFFFAOYSA-N 437.492 5.439 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)CC1CCCCC1 2331657429 HUBHGPPUAPHLKL-UHFFFAOYSA-N 434.576 6.701 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)c1ccccc1C 2331668673 LLJPQFNWDRZHBH-UHFFFAOYSA-N 444.527 6.134 30 10 IKEE C=CCOc1ccccc1C=C1C(=O)N(Cc2c(F)cccc2Cl)N=C1c1ccccc1 2332114261 JUMJRAHBHHZGIQ-UHFFFAOYSA-N 446.909 5.874 30 10 IKEE CCOc1ccc(C=C(C(=O)Nc2c(C#N)nnn2-c2cccc(C)c2)c2ccccc2)cc1 2332190633 CCFGDNYIERSBFZ-UHFFFAOYSA-N 449.514 5.025 30 10 IKEE C[C@H]1CCN(Cc2ccccc2)C[C@H]1Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339590242 KIOJYSXRLYFELY-NZQKXSOJSA-N 433.405 5.049 30 10 IKEE CCOC(=O)C1=C(Nc2ccccc2)S/C(=C/c2cc(C(C)C)c(OC)cc2C)C1=O 2811289 GZDZPZGFBRXNME-KGENOOAVSA-N 437.561 5.671 30 10 IKEE Oc1ccccc1/C=N/c1cccc(C2=NN(c3ccccc3)[C@@H](c3ccc(F)cc3)C2)c1 15773319 DQBDWLSXWADENF-WSFYNJOLSA-N 435.502 6.638 30 10 IKEE COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(O)c2)c1 20885933 SUFALLPTWOQKNW-CRYYWNKWSA-N 442.515 5.389 30 10 IKEE CN(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2c[nH]c3ccccc23)cc1 21237237 BFSJUFMRJCBSSW-SLQAJWMNSA-N 448.570 6.213 30 10 IKEE CCc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc1 21249758 OPOVNYYUSLIFOR-UZTOHYMASA-N 428.963 6.882 30 10 IKEE Cc1noc2c1[C@H](c1ccc(Cl)c(Cl)c1)C1=C(C[C@H](c3ccccc3O)CC1=O)N2 33026466 AKLUZVOIEKVLJU-ZSEKCTLFSA-N 441.314 5.954 30 10 IKEE O=C(/C=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1cccc(C(F)(F)F)c1 33507917 SLURNRRXOQAJAI-MNDPQUGUSA-N 443.468 8.071 30 10 IKEE CCOc1ccc(/C=C2\S/C(=N/c3ccncc3Cl)N(C3CCCCC3)C2=O)cc1 39864640 DDCZUJIDBWGIJF-USXILQPXSA-N 441.984 6.070 30 10 IKEE Oc1c(Cl)cc(Cl)cc1/C=N/c1ccccc1OC(F)(F)[C@H](F)C(F)(F)F 59371561 MSDUGGXJGYRTMY-WLEQKXFYSA-N 432.147 6.322 30 10 IKEE C/C(CC(C)C)=N\Nc1nc(SCCC(=O)Nc2ccc(Cl)cc2Cl)n[nH]1 59892229 NMOKRGLZLUTSNA-SSDVNMTOSA-N 429.377 5.066 30 10 IKEE O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCc2[nH]c3ccc(F)cc3c2C1 96281994 FGHOWGGHHSKNPT-UHFFFAOYSA-N 445.338 5.935 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2 100358840 LMUCTJPXITUQHT-MPCDZSKCSA-N 430.419 8.169 30 10 IKEE CCCCCCCCCN1C(=O)C(=O)c2cc(Br)cc(Br)c21 100958231 YDJOPYWMBAHCMS-UHFFFAOYSA-N 431.168 5.492 30 10 IKEE Cc1cccc(N2C(=O)CS/C2=N/N=c2/oc3ccccc3cc2-c2ccccc2)c1 101301013 XSIFSBSEWMOFFN-OWUYFMIJSA-N 425.513 5.360 30 10 IKEE COCCCN1C(=O)/C(=C\c2ccc(Cl)cc2)S/C1=N/c1ccc2c(c1)CCC2 102924416 RYMBHTOVCQXSJZ-LRXZINBSSA-N 426.969 5.469 30 10 IKEE Cn1cc(/C=C2\Oc3cc(OC(=O)c4ccccc4Cl)ccc3C2=O)c2ccccc21 103024665 IFOHJDWFDSSZBI-FMCGGJTJSA-N 429.859 5.667 30 10 IKEE CC(C)(C)c1ccc([C@@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2Cc2cccnc2)cc1 105815968 TUTRMMMLFJNFFY-UGUGFTGJSA-N 426.516 5.001 30 10 IKEE Cc1cc(C)c2oc(-c3cccc(N/C=C4/C=C(Cl)C=C([N+](=O)[O-])C4=O)c3C)nc2c1 136950388 WIHQZKXEZXZIDH-PTNGSMBKSA-N 435.867 5.582 30 10 IKEE Cc1ccc(C(C)(C)C)cc1S(=O)(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 169902158 OUVNEFCRTREYKB-YZSQISJMSA-N 436.577 5.184 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3ccc(OC)cc3)cs2)cc(Br)c1O 169940170 VKBQMQKAYORRTB-FBHDLOMBSA-N 448.342 5.132 30 10 IKEE COC(=O)c1sc(N/N=C\c2cc(Cl)c(OC)c(Cl)c2)nc1-c1ccccc1 169941892 BONOGNAKFNNRSZ-YVNNLAQVSA-N 436.320 5.358 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)CCc2ccccc2)=C(O)C(=O)N1c1ccc(C)cc1 169944956 HREPDDJDDIBQLT-VWLOTQADSA-N 427.500 5.106 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 169974855 YFEUOZFJPFTOHE-XMMPIXPASA-N 425.528 6.075 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(OC(C)C)c2)cc1 169981479 LXZXSUNIZGTURS-XMMPIXPASA-N 449.547 5.393 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@@H]2c2ccncc2)cc1 170021201 NOOJUAOZZCNEPH-XMMPIXPASA-N 436.467 5.026 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2c[nH]c3ccccc23)cc1 170078237 JDCSGSSMIOYIIQ-DEOSSOPVSA-N 428.532 5.641 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1C1CCCCC1 170123872 GRIXQYNKXQVRAH-RUZDIDTESA-N 441.527 5.759 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(O)cc2)c1 170135515 ATTUULNRYZEKFJ-QHCPKHFHSA-N 435.520 5.092 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@H]1c1ccncc1 170202213 SFCFIJHHYUNDFY-QHCPKHFHSA-N 442.515 5.107 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1ccc(O)c(Cl)c1 170219597 GUSNJUMAUJCTBH-OAQYLSRUSA-N 443.927 5.211 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccccc2)c1 170225908 DZFXUIAKLIVJOT-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@@H]1c1ccccc1 170228049 HRCGRLFCXJULPK-XMMPIXPASA-N 441.527 5.712 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@H]1c1ccccc1F 170253192 LKOBWWOZSBSCNV-HXUWFJFHSA-N 431.891 5.256 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1c[nH]c2ccccc12 170256018 IVNMDCYBZBWUNT-VWLOTQADSA-N 442.559 5.815 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@@H]2c2ccc(C)o2)cc1C 170300818 BOAJWQAHKNTPHQ-XMMPIXPASA-N 445.515 5.640 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2sccc2C)c1 170313491 MGOPBKUFUZLJMK-HXUWFJFHSA-N 437.492 5.377 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccccc2C)cc1Cl 170397165 VCBQYEDOVWABBG-FQEVSTJZSA-N 439.920 5.501 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1c1ccc(Cl)c(Cl)c1 170397489 HEAUJNRJJJQZDL-IBGZPJMESA-N 444.339 6.146 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccco2)=C(O)C(=O)N1c1ccc(C(F)(F)F)cc1 170406333 KFQHOMHLNNDSMG-MRXNPFEDSA-N 433.407 5.451 30 10 IKEE CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 170469290 KWAMMUOKOLFAMP-QFIPXVFZSA-N 448.563 5.458 30 10 IKEE O=[N+]([O-])c1cc(Br)c(O)c(C=Nc2ccc(-c3nc4ccccc4o3)cc2)c1 252628360 SOJWXQRJMSRMIK-UHFFFAOYSA-N 438.237 5.622 30 10 IKEE C=CCn1c(SCC(=O)Nc2cc(F)ccc2F)nnc1-c1ccc2ccccc2c1 253572702 QMUMPOWNYHKMOP-UHFFFAOYSA-N 436.487 5.293 30 10 IKEE S=c1n(N=Cc2c3ccccc3cc3ccccc23)cnn1Cc1ccccc1Cl 254765307 WZLJJSJOBRHVFH-UHFFFAOYSA-N 428.948 6.304 30 10 IKEE Fc1ccc(-c2nn(-c3ccccc3)cc2CN2CCSC2=Nc2ccccc2)cc1 254770757 PEVWOGOTJHOQDC-UHFFFAOYSA-N 428.536 5.915 30 10 IKEE Cc1ccccc1Nc1nc(NN=Cc2ccccc2)nc(Nc2ccc([N+](=O)[O-])cc2)n1 263628476 JFVONQYVEFVXLQ-UHFFFAOYSA-N 440.467 5.021 30 10 IKEE C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CCC2=NN=Cc1cccc(Cl)c1Cl 263630938 KAZZDRRNZVOQBJ-VWEIPLKFSA-N 441.402 7.030 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@H]2c2ccc([N+](=O)[O-])s2)cc1 526489265 PWWFLTZFYSOQDA-LJQANCHMSA-N 437.864 5.239 30 10 IKEE CCCOc1cccc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)c1 526516998 QURSGRXULASWRY-DEOSSOPVSA-N 444.918 6.058 30 10 IKEE CC(C)Oc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(F)ccc2F)cc1 526711213 ZEOGVIXGHHULNI-HSZRJFAPSA-N 449.453 5.535 30 10 IKEE CCOc1c(Cl)cc(/C=N\n2c(CC)nnc2SCc2ccc(F)cc2)cc1OC 526802504 IPVNNMDDUWJCTO-MSXFZWOLSA-N 448.951 5.215 30 10 IKEE CCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccc(Cl)cc2)cc1OCC 526807402 ZSTJENHMUOZOFT-OYKKKHCWSA-N 444.988 5.466 30 10 IKEE CCCCOc1ccc(/C=N\n2c(C)nnc2SCc2ccc(Cl)c(Cl)c2)cc1 526815284 XCQCAXYNDQLTGF-CFRMEGHHSA-N 449.407 6.247 30 10 IKEE CCCOc1ccccc1/C=N\n1c(CCC)nnc1SCc1ccccc1Cl 526816750 MMEFAUKANWVSPG-IWIPYMOSSA-N 428.989 5.847 30 10 IKEE C=CCSC1=NN2[C@@H](c3cccc(Oc4ccccc4)c3)Nc3ccccc3[C@H]2C(=O)N1 588229223 NYBKUWCZLAXXFC-GOTSBHOMSA-N 442.544 5.266 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@H](C#N)c1cc(Br)c(Cl)s1 698409690 VIMPDEVSTUCZJV-CQSZACIVSA-N 441.778 6.166 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@H](C#N)c1cccc(F)c1Br 698875031 PGTWOZKWCRBBNL-OAHLLOKOSA-N 425.323 5.652 30 10 IKEE CCCCCCC[C@@H](NCCC)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 702510701 OGLCUOIRCIVCMM-RPWUZVMVSA-N 433.681 5.740 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C1 724081717 SAIDNRVRGUBNSI-KOSHJBKYSA-N 429.561 5.405 30 10 IKEE COc1cc(C=Nc2ccc(C(c3ccc(C)o3)c3ccc(C)o3)cc2)c(O)c([N+](=O)[O-])c1 1081820387 DMDMUZSVRNFSGM-UHFFFAOYSA-N 446.459 6.043 30 10 IKEE COC(=O)c1ccc(CSc2ccccc2N=Cc2cc(Cl)cc(Cl)c2O)o1 1088728655 OWTTTWGLMRNECE-UHFFFAOYSA-N 436.316 6.122 30 10 IKEE CC(C)(C)c1ccc(O)c(N/C(=N/Cc2cccc(C(F)(F)F)c2)NC[C@H]2CCCO2)c1 1088735587 XFDBANLGLLRSRA-LJQANCHMSA-N 449.517 5.445 30 10 IKEE C=CC[C@H]1CCN(C(=O)[C@@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)C1 1540089577 LSGPGVDCMYUETG-CVEARBPZSA-N 439.606 5.110 30 10 IKEE CN1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=Nc1ccccn1 1772730765 YAAPYWQDWWFVIR-GQZSXMDHSA-N 430.316 5.882 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(-c3ccccc3Cl)o2)SC1=Nc1nc(C)cs1 1772739750 UIAZUMWGEDRCNB-JERZPRFUSA-N 441.965 6.155 30 10 IKEE CCCCCn1c(O)c(N=Nc2ccc([N+](=O)[O-])cc2Br)c(C)c(C#N)c1=O 1772741219 ZUUOEXPFWBAYAF-UHFFFAOYSA-N 448.277 5.010 30 10 IKEE CCCOc1ccc(CC(=O)Nc2ccc(C(=O)Nc3ccccc3C#N)cc2)cc1C 1860853767 JAUNHTLAGYMYLZ-UHFFFAOYSA-N 427.504 5.089 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)/C=C/c1ccc(F)cc1 1861117792 CQEGEEJCWNYNKY-FOYQMUPJSA-N 436.637 5.334 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](C)NC(=O)c1c(Cl)ccc(Cl)c1Cl 1861139991 LTAOTJICHKKJKK-CQSZACIVSA-N 435.823 6.022 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(-n2cccc2)cc1 1861778282 WFFIXVHJWDXVKV-AREMUKBSSA-N 445.607 5.295 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(OC)c(C)c2)n(Cc2cc(C)ccc2C)n1 1862335680 FDEBQTGNEQYIGX-UHFFFAOYSA-N 429.564 5.346 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(N(CC)CC)cc1 1862421753 OYAHHNDNUGMUSC-NYHFZMIOSA-N 442.506 5.188 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2c(F)cc(F)cc2F)=C(O)C(=O)N1[C@H]1CCCC[C@H]1C 1862456687 XMPZOVFUNSMTHZ-YFYZNPQRSA-N 443.465 5.569 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1cccc(Cl)c1 1862470102 FUFTUKYPXQYLEJ-KRWDZBQOSA-N 434.717 5.089 30 10 IKEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2F)cc1 1862474086 KCJSSZDOAPZNRZ-OSPHWJPCSA-N 445.490 5.482 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(OCCC)cc1 1862494396 AISPDWUCGVLEGD-RUZDIDTESA-N 449.591 6.251 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccccc2F)ccc1F 1862502259 VHJBMAXBDMODIS-QHCPKHFHSA-N 439.502 5.964 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc3cc[nH]c3c2)ccc1F 1862504000 KNYQQFPNVWJLEG-AMOXOZGRSA-N 446.522 5.772 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 1862518902 WSZVKICJXBECRU-DEOSSOPVSA-N 449.591 6.007 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862559831 YGRXSFZEUSJKNP-XMMPIXPASA-N 448.563 5.359 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(C(C)(C)C)cc1 1862631347 OQJVFCPAMGDMAX-OYHNWAKOSA-N 435.520 5.090 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1ccc(OC)cc1 1862637824 NDLGXYDJANNXRO-JOCHJYFZSA-N 441.499 5.002 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(OCCCC)cc1 1862657365 DBQDXNPHNDNPQY-VWLOTQADSA-N 441.527 5.783 30 10 IKEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2F)cc1 1862673453 LSRQUWKRCXPIFG-CMJOXMDJSA-N 449.453 5.313 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc(Cl)c1 1862712074 IZOBQWBWPKRAKU-HSZRJFAPSA-N 433.935 6.118 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCOC(C)C)cc1 1862713288 LPWWGQDUAFOANG-DEOSSOPVSA-N 429.516 5.152 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862713395 NUSIOAXMYJVQEI-MHZLTWQESA-N 447.534 6.235 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1F 1862739278 VMBBTIKSKDBKTA-FQEVSTJZSA-N 444.434 5.032 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(F)c(Cl)c3)C2=O)cc1 1862890777 MZDZIAXWVYWPQB-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2Oc2ccccc2)=C(c2cccc3ccccc23)C1=O 1863225732 LGOOLVGPPOLHPQ-UHFFFAOYSA-N 446.506 6.010 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)NC1CCCCCCCCCCC1 1866029452 HYNWEYNQPDSRMX-UHFFFAOYSA-N 449.808 10.037 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N[C@H]1CCCOc2ccccc21 1866030054 WLHGQATUMPQWJA-SANMLTNESA-N 429.689 8.278 30 10 IKEE C[C@H](CC(=O)N[C@@H](C(=O)Nc1ccccc1C#N)c1ccccc1)c1cccc(Cl)c1 1867187129 ILPJEZZNMYASLJ-MZNJEOGPSA-N 431.923 5.201 30 10 IKEE CC(C)c1nc(Nc2ccc(C#N)cc2)cc(N2[C@@H](Cc3ccccc3)COCC2(C)C)n1 1868242324 MGNINVUTCNSJHN-QHCPKHFHSA-N 441.579 5.442 30 10 IKEE Cc1nc(Nc2cccc(C#N)c2)cc(N2CCc3ccccc3[C@@H]2c2cccc(F)c2)n1 1868466869 GVJOFEUUOCFAGJ-MHZLTWQESA-N 435.506 5.692 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](CCCC)NC(=O)[C@H](c1ccc(Cl)c(Cl)c1)C(C)C 1868866127 RXTVNGAAKSSTSB-RTWAWAEBSA-N 439.427 5.609 30 10 IKEE CCCCCCOc1ccc(-n2nnc(C#N)c2NC(=O)/C=C/c2cccc(Cl)c2)cc1 1870143419 LCSHLMKYGSWTDG-NTEUORMPSA-N 449.942 5.403 30 10 IKEE C=CCOc1cn(CCc2c[nH]c3ccccc23)c(CSCc2ccccc2)cc1=O 1870244598 YCWIJDIQWIOEIE-UHFFFAOYSA-N 430.573 5.571 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCCc2ccccc2)cn1Cc1ccccc1C 1870688109 MCZVZSIJAGARRG-UHFFFAOYSA-N 442.603 5.391 30 10 IKEE COc1cccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCc2ccc(C)cc2)C4)c1 1871348054 NVTLJCGIEZTKMI-MYYYXRDXSA-N 441.527 5.323 30 10 IKEE CN(C)CCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(Cl)c(Cl)c1)C3=O 1871348277 BMUWHWIDOXLHHU-MTJSOVHGSA-N 447.362 5.103 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(C(C)(C)C)cc1)C3=O)CN(CCCOC(C)C)CO2 1871351665 MXISHCUXHQRORS-OYKKKHCWSA-N 449.591 5.876 30 10 IKEE CCn1cc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCC(C)C)C4)c2ccccc21 1871352911 HMIXDGFHNQQVOP-CFRMEGHHSA-N 430.548 5.784 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OC(=O)CCc4ccc(C)cc4)c3C)C2=O)cc1 1871367497 ONUUCAAAZQLQNT-UQQQWYQISA-N 426.512 6.020 30 10 IKEE Cc1c(OC(=O)/C=C/c2ccc(C(C)C)cc2)ccc2c1O/C(=C\c1ccccn1)C2=O 1871380007 RLNRLNYZEYCWQK-XPGPHDSVSA-N 425.484 5.748 30 10 IKEE Cc1c(OC(=O)c2ccc(-n3cccc3)cc2)ccc2c1O/C(=C\c1ccc(F)cc1)C2=O 1871384508 VVKLKBLSKBPTJT-JLPGSUDCSA-N 439.442 5.760 30 10 IKEE CCCCCCOc1ccc2c(c1)O/C(=C\c1cc(Br)ccc1OC)C2=O 1871399855 XTUVAKOPGAOUNP-BKUYFWCQSA-N 431.326 6.033 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccccc4)c3C)C2=O)cc1 1871406558 SXFYWQBPTIVBMV-WSLHGYQHSA-N 427.500 5.580 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871407905 NRHKYZLLMUCLGM-NQRZERFFSA-N 447.918 5.979 30 10 IKEE Cc1c(OCC(=O)C(C)(C)C)ccc2c1O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 1871420224 VSKYGYNKYXVPOV-JLPGSUDCSA-N 426.512 6.272 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(C(C)(C)C)cc2)[nH]c(N(CC)CC)n1 1871553179 GGUOUDUNDGVOHZ-UHFFFAOYSA-N 426.653 5.953 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(C(C)C)cc1)c1ccccc1)S(=O)(=O)CCCC 1871844140 UELKVNQTSNSDRO-HSZRJFAPSA-N 428.598 5.108 30 10 IKEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 1872019459 VUWDRPIFOCEURW-QHCPKHFHSA-N 442.625 5.277 30 10 IKEE CCc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 1872763320 JKZGGBGWTZCILB-FQEVSTJZSA-N 435.505 5.316 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(C(C)C)cc3)n2)c(C)c1C 1872779011 ZKWCHRULQDNGBT-QWDXWUACSA-N 430.573 6.449 30 10 IKEE COc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)c(OC)c1 1872787610 NNEFKVIKSAPFBD-FHVRUZERSA-N 448.544 5.342 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)c2ccccc12 1872787924 BGNRUAQAEBJTIY-IBGZPJMESA-N 443.484 5.679 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C#N)c2)=C(c2cc(F)cc(F)c2)C1=O 1873318086 JNIRMRZUYMBUKB-UHFFFAOYSA-N 437.490 5.389 30 10 IKEE C=CCNC(=O)c1c(NC(=O)c2ccc(OCCCCCC)cc2)sc2c1CCCC2 1873442070 FNYHSNVPAQUSGY-UHFFFAOYSA-N 440.609 5.754 30 10 IKEE C=CCn1c(C(=O)N(CCC)CCC)cc2c(N(CCCC)CCCCCC)ncnc21 1873562801 UFEXPPPSIQAUIO-UHFFFAOYSA-N 441.664 6.066 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(N(CC)CC)cc2)cc2c(N(CC)CCCC)ncnc21 1873654551 KJUQXAUFLNPQID-UHFFFAOYSA-N 448.615 5.342 30 10 IKEE C=CCn1c(C(=O)Nc2cc(Cl)ccc2C)cc2c(N(CCC)CCCC)ncnc21 1873659213 GVQGXOSMFOHTEO-UHFFFAOYSA-N 439.991 5.848 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc(O)cc1 1874231952 JWZZZZIOAMXQCC-WGOQTCKBSA-N 428.561 5.473 30 10 IKEE CCOc1c(/C=N/n2c(Cc3cccc4ccccc34)nnc2SCC)cccc1OC 1874270698 KDYZDJCFGWFHFH-YZSQISJMSA-N 446.576 5.424 30 10 IKEE CCCSc1nnc(Cc2ccc(OCC)cc2)n1/N=C/c1ccccc1OC(C)C 1874304168 LJKWXYJUMXNRAO-KOEQRZSOSA-N 438.597 5.439 30 10 IKEE Cc1cccc(CSc2nnc(COc3cccc(C)c3C)n2/N=C/c2ccccc2)c1 1874321786 JXTQWXRIYNMTHS-JVWAILMASA-N 442.588 5.957 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccc(C)cc3C)n2/N=C/c2cccnc2)cc1 1874325462 QKOFEIMEZKETER-JFLMPSFJSA-N 443.576 5.352 30 10 IKEE CCSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1ccc(Cl)c(Cl)c1 1874326686 AZCFDEIQGZHICS-FOKLQQMPSA-N 435.380 5.775 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccc[nH]2)cc1C 1874329894 FPECQQIHSQRWKO-JFLMPSFJSA-N 433.556 5.322 30 10 IKEE Fc1ccccc1CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccccc1 1874342318 KJKIFCWBVVSHIN-CVKSISIWSA-N 436.943 5.836 30 10 IKEE Cc1cccc(/C=N/n2c(Cc3ccccc3F)nnc2SCc2cccc(C)c2)c1 1874373407 ILOCYZGLHBBZGB-JVWAILMASA-N 430.552 5.799 30 10 IKEE Clc1ccccc1CSc1nnc(CCc2ccccc2)n1/N=C/c1ccncc1 1874403695 NAUPJZSIRTWNQS-WGOQTCKBSA-N 433.968 5.286 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(SCc2ccccc2)nnc1-c1ccccc1 1874427994 MDINWSAYHHREIS-YZSQISJMSA-N 428.561 5.907 30 10 IKEE Cn1cc(/C=N/n2c(SCc3ccccc3F)nnc2-c2ccccc2)c2ccccc21 1874428715 YHRRUTQUTMWRAZ-JFLMPSFJSA-N 441.535 5.750 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CCCC2)cc1 1874456167 DOVXVTHQHSXCAR-MTDXEUNCSA-N 440.616 6.826 30 10 IKEE CC(C)Cc1nnc(SCc2ccccc2Cl)n1/N=C/c1cc(Cl)ccc1O 1874490413 PIKQGWOWQQDSDE-FOKLQQMPSA-N 435.380 5.664 30 10 IKEE CCCOc1ccccc1/C=N/n1c(CC(C)C)nnc1SCc1ccc(Cl)cc1 1874491320 LKCZAHXZSUVDHG-MFKUBSTISA-N 443.016 6.093 30 10 IKEE O=C(O)c1ccccc1/C=N/n1c(SCc2c(F)cccc2Cl)nnc1C1CCC1 1874499162 YWPNCWSTWYCVPR-BHGWPJFGSA-N 444.919 5.211 30 10 IKEE CCCSc1nnc(CCC)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874508775 UWCCAGWXOJBJKX-BUVRLJJBSA-N 428.989 5.847 30 10 IKEE COc1cc(/C=N/n2c(SCc3ccc(C)cc3)nnc2C2CC2)cc(Cl)c1O 1874516929 NACPVXCHJJNMTG-FOKLQQMPSA-N 428.945 5.006 30 10 IKEE CCc1ccc(NC(=O)COc2c(/C=C/C(=O)c3ccccc3Cl)cccc2OC)cc1 1874574703 APVIQAFUJDHPGC-DTQAZKPQSA-N 449.934 5.825 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 1874579335 IXUBHQQYDYWQRD-XYOKQWHBSA-N 441.752 6.886 30 10 IKEE Cc1ccc(C(=O)/C=C/c2c(OCC(=O)NCc3ccco3)ccc3ccccc23)cc1 1874579386 KYGOBOYXCCNHBR-BUHFOSPRSA-N 425.484 5.333 30 10 IKEE Cc1cccc(NC(=O)COc2cccc(/C=C/C(=O)c3ccc(C(C)C)cc3)c2)c1C 1874597978 NHBLKXIXRKOFSX-LFIBNONCSA-N 427.544 6.340 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OCc1cc(C)ccc1C 1874603777 FAFCUBXSHPHOKL-RVDMUPIBSA-N 440.583 7.056 30 10 IKEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1Cl 1874606094 VNIUVRBFXASHAT-XVNBXDOJSA-N 426.727 5.448 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2OC)cc(OC)c1OCc1ccccc1F 1874619467 CDUBVPRJZKHUOF-OUKQBFOZSA-N 446.518 6.355 30 10 IKEE CC(C)COC(=O)COc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 1874622608 LXQZPHYDFQHTPD-WUXMJOGZSA-N 439.508 5.366 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OCc2ccccc2F)c(Cl)c1 1874634982 CFJFBOHNDNVFGP-JLHYYAGUSA-N 436.954 7.560 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1OC(=O)c1cccnc1 1874692224 VIKKFLLQKQHSMN-OQLLNIDSSA-N 435.479 5.873 30 10 IKEE O=C(Oc1cccc(/C=C/C(=O)c2ccccc2Cl)c1)c1ccc(C(F)(F)F)cc1 1874696842 OBBCMXSMZBKQLT-MDWZMJQESA-N 430.809 6.474 30 10 IKEE COc1ccccc1CC(=O)Oc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC 1874699295 NQPRAFDDFARYGJ-ZRDIBKRKSA-N 436.891 5.401 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 1874701984 PBKBIKDGHCEJJN-GIJQJNRQSA-N 442.555 6.888 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)[C@H]2C[C@H]2c2ccccc2Cl)c1)c1ccc(F)c(F)c1 1874710777 JHUHQBJARJWTNZ-BNLMJFGMSA-N 438.857 6.223 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)Cc2ccc(F)cc2)c1 1874715626 XVTXKFVBVBHPNY-DHZHZOJOSA-N 438.882 5.840 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)ccc1OC(=O)Cc1ccccc1 1875109263 FQRCNKKJDJKTFD-JLHYYAGUSA-N 430.500 5.447 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3OC)c(OC)c2)cc1 1875139020 NSTKYOHZVDZOAV-OQLLNIDSSA-N 446.499 5.608 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)COc1ccc(C)cc1C 1875159107 BXVOGLZGFUDXOT-VZUCSPMQSA-N 434.463 5.332 30 10 IKEE N#C[C@]1([C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCC(F)(F)C1 1875631643 ABSZRLQBTPKUDL-UIOOFZCWSA-N 449.497 6.207 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 1922067156 ZKKGQUVAGKHEIZ-LOSJGSFVSA-N 438.612 5.264 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)C1(CNC(=O)OC(C)(C)C)CCCCCC1 1922126295 SKTUYRPJTCOXCB-QHCPKHFHSA-N 430.633 5.603 30 10 IKEE Brc1csc(CN=C2N[C@@H](CC3CCCC3)CS2)c1Br 1926701153 ZAEHZDFELHMPJA-JTQLQIEISA-N 438.254 5.414 30 10 IKEE COc1cc(C)ncc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 1927183179 VWJULWVOYQVOON-KRWDZBQOSA-N 432.318 5.168 30 10 IKEE C[C@@H](NCCCONC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C#N)cc1 1937195778 DYGIYTUICNJPOM-LJQANCHMSA-N 441.531 5.069 30 10 IKEE CC(C)(C)OC(=O)N1CCC([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)CC1 1944712296 HFTBIBREXIGXNC-HXUWFJFHSA-N 435.609 5.486 30 10 IKEE CC1(NC(=O)OC(C)(C)C)CCC(C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)CC1 2027792533 FVJYWLXBIQMEGL-UHFFFAOYSA-N 447.551 5.687 30 10 IKEE CCN[C@H](CC#CC1CCCCC1)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2032498778 ACVGKBNROODQTE-FTBPSBKWSA-N 442.644 5.437 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCC[C@H]2OCc2ccccc2)c1 2043763170 QEVNBZLLXDYVHO-ZEQKJWHPSA-N 436.552 5.858 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@@]1(C#N)CCC(F)(F)C[C@H]1OCc1ccccc1 2043781051 JQLNMFVFOQNYBE-ZJSXRUAMSA-N 442.506 6.095 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCC1)C1(C#N)CCC2(CCCN2C(=O)OC(C)(C)C)CC1 2048951240 WLRAWKFOMSLWJT-UHFFFAOYSA-N 447.620 5.772 30 10 IKEE C[C@H](Sc1cc(C=Cc2ccc(Cl)cc2)c(C#N)c2nc3ccccc3n12)C(=O)O 2053624744 RXRSUOZBWZZOHT-AWEZNQCLSA-N 433.920 5.748 30 10 IKEE C[Si](C)(C)C#CC(=O)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071345504 PKBXAZANWDMYDZ-MHZLTWQESA-N 444.603 5.328 30 10 IKEE N#Cc1c(C2CCCCC2)nn2c(Cl)cc(-c3c(F)cccc3Br)nc12 2081165585 UJMVPSKSTBUQCS-UHFFFAOYSA-N 433.712 5.871 30 10 IKEE Fc1c(F)c(F)c(-c2cc(Cl)n3nc(C(F)(F)F)c(C4CCC4)c3n2)c(F)c1F 2081300828 LPSFCXFPUVEBGC-UHFFFAOYSA-N 441.709 6.032 30 10 IKEE CC[C@]1(CNc2cc(Br)c(C#N)cc2F)CCCN1C(=O)OC(C)(C)C 2106046366 YDXDYXIJJXWPAU-LJQANCHMSA-N 426.330 5.051 30 10 IKEE C=CCCCC[C@H](NCCC)c1ccc(Br)cc1I 2142286785 HZTKEWGNHCEOAN-INIZCTEOSA-N 436.175 5.841 30 10 IKEE CC(C)(C)OC(=O)N1CCC(CCCNc2cc(Br)c(C#N)cc2F)CC1 2162390389 VISHLMNQTHVSAZ-UHFFFAOYSA-N 440.357 5.299 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1cnn(C(F)(F)F)c1 2175133831 KUJLMUKDSXRPSZ-CQSZACIVSA-N 445.239 5.128 30 10 IKEE CC(C)(C)OC(=O)N1[C@@H](CNc2cc(Br)c(C#N)cc2F)CCC12CCC2 2233906599 NTVWMUSRXLAWHS-CQSZACIVSA-N 438.341 5.194 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H](C[C@H](C)CC)NC(=O)OC(C)(C)C 2296217373 UAQKKVDLFPOEFB-NSISKUIASA-N 437.422 5.108 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](C#Cc1cccc(Br)c1)NCCC 2296219056 KMDXVXRJHNJGLY-VQTJNVASSA-N 435.406 5.028 30 10 IKEE CC1(C)CCC(NC(=O)OC(C)(C)C)([C@H](O)C#Cc2cccc(Br)c2)CC1 2296225093 QXXXNTASZFBKPA-GOSISDBHSA-N 436.390 5.025 30 10 IKEE C[C@H]1Oc2ccccc2C=C1C=C1Oc2cc(OC(=O)c3ccccc3F)ccc2C1=O 2296868488 KYAGIFOYOBVIJX-OAHLLOKOSA-N 428.415 5.368 30 10 IKEE Cc1ccc([C@@H]2C(=C(O)c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc1 2296926925 CTHXWBFZDBUQQK-LJQANCHMSA-N 438.936 5.348 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[C@@H](C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 2302804144 UBAVPGQLGFGAIH-GUDVDZBRSA-N 449.617 5.461 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O)c1ccc(Br)cc1 2314438037 FQGIADXDUVLDJW-UHFFFAOYSA-N 439.236 5.424 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc3noc(-c4ccccc4)c3c2)SC1=Nc1nccs1 2314487587 JMZFVUIAIMUARZ-UHFFFAOYSA-N 444.541 5.741 30 10 IKEE Cc1cccc(N=C2SC(=Cc3ccc(-c4c(Cl)cccc4Cl)o3)C(=O)N2C)n1 2314540773 YEACIEVOFWXNJK-UHFFFAOYSA-N 444.343 6.191 30 10 IKEE C=CCOc1ccccc1C=Nn1c(C)nnc1SCc1c(Cl)cccc1Cl 2321169199 PTLWEHKUUIKJDN-UHFFFAOYSA-N 433.364 5.633 30 10 IKEE Cc1cccc(CN2COc3ccc4c(c3C2)OC(=Cc2ccc(N(C)C)cc2)C4=O)c1 2322216535 FTAUOKFCGSZCQX-UHFFFAOYSA-N 426.516 5.029 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2)cc1 2322557743 NANCLOAKLBKLRU-UHFFFAOYSA-N 449.934 5.961 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(C(C)C)cc2)c1OCc1cccc(F)c1 2322736391 BUHMDPPESMBSNH-UHFFFAOYSA-N 438.926 7.086 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(Cl)cc2C=CC(=O)c2ccc(F)cc2)cc1C 2322748574 BMNHXXNOHHOUJU-UHFFFAOYSA-N 437.898 6.010 30 10 IKEE O=C(C=Cc1cccc(OCc2c(F)cccc2Cl)c1)c1ccc(Cl)cc1Cl 2323075902 MFHFAQJXCRRUAY-UHFFFAOYSA-N 435.709 7.261 30 10 IKEE Cc1cc(OC(=O)c2ccc(F)c(F)c2F)cc2c1C(=O)C(=Cc1cccc(F)c1)O2 2323126937 BPOMAPVZGOSHQH-UHFFFAOYSA-N 428.337 5.387 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1OCc1ccccc1Cl 2323188837 QFLNGSYBEZQINR-UHFFFAOYSA-N 434.963 7.121 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCc3cc(C)ccc3C)c(Cl)c2)cc1 2323536953 JQYLPYHPHYIPDZ-UHFFFAOYSA-N 432.991 7.775 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Br)cc2)ccc1OCc1ccc(F)cc1 2323602036 VSKBEXDALFIZJG-UHFFFAOYSA-N 441.296 6.072 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(Br)c(OCCC)c(OC)c2)cc1 2323933742 RKDWVSGCMCGLOQ-UHFFFAOYSA-N 433.342 5.931 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(CN4CCCC[C@H]4C)c(O)cc(C)c3C2=O)cc1 2324011986 SXLILBICLYSEJN-LJQANCHMSA-N 434.580 5.537 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1ccc2c(c1)OCO2 2324087270 PXVWAKLHWBWCSZ-UHFFFAOYSA-N 437.835 5.452 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(F)c2)ccc1OCc1cc(C)ccc1C 2324120580 WEVVTZGVDCHRRV-UHFFFAOYSA-N 434.507 6.325 30 10 IKEE Cc1cc(OCCOc2ccccc2)cc2c1C(=O)C(=Cc1c(Cl)cccc1Cl)O2 2324220873 AKCHNBYUFQGGEP-UHFFFAOYSA-N 441.310 6.376 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)cc2)cc1 2324332835 SYVPDRXVSOWWSX-UHFFFAOYSA-N 441.571 6.396 30 10 IKEE COc1ccccc1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccccc1)C2=O 2324473650 INYPYDMSQFBONN-KRWDZBQOSA-N 429.472 5.026 30 10 IKEE COc1ccccc1C=C1Oc2cc(O[C@@H](C)C(=O)Nc3ccc(C)cc3C)ccc2C1=O 2324494097 PKSLQISBWRUXPX-SFHVURJKSA-N 443.499 5.334 30 10 IKEE CCCOC(=O)COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1Cl 2324574049 GMKKVLHTODWHMF-UHFFFAOYSA-N 428.956 6.174 30 10 IKEE CCc1ccc(NC(=O)[C@@H](CC)Oc2ccc3c(c2C)OC(=Cc2ccncc2)C3=O)cc1 2324817187 WUZSETIUADAMLF-JOCHJYFZSA-N 442.515 5.365 30 10 IKEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CN(Cc2ccccc2)C2(CCCCC2)C1 2325496757 KKCGWYOCBXKORU-NDEPHWFRSA-N 432.608 5.497 30 10 IKEE CCCOc1ccc(C=CC(=O)C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1OCC 2325648625 RNOGWOSNGOUWPB-UHFFFAOYSA-N 444.531 5.839 30 10 IKEE COc1cc(C=Nn2cnnc2SCc2cccc(C)c2)ccc1OCc1ccccc1 2325648677 CLEDYJZMHMPPCT-UHFFFAOYSA-N 444.560 5.349 30 10 IKEE Cc1c(OCCN2CCCCC2)ccc2c1OC(=Cc1ccc(Cl)cc1Cl)C2=O 2325701611 BEILMDLWQKRJRI-UHFFFAOYSA-N 432.347 5.783 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)c1 2325740402 ZKRUVSRYJCFKKT-UHFFFAOYSA-N 442.515 5.003 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)c(C)c1C 2325755700 GNSPFOMHDCUXGW-UHFFFAOYSA-N 445.471 5.644 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1N=Cc1c(C)[nH]c2ccccc12 2326552365 IZMYJSKCRKMELN-UHFFFAOYSA-N 438.000 6.238 30 10 IKEE CCCc1ccc(OCc2nnc(SCc3ccccc3C)n2N=Cc2ccc[nH]2)cc1 2327350482 CBECEQOELCGKSK-UHFFFAOYSA-N 445.592 5.621 30 10 IKEE CCCSc1nnc(CCc2ccc(OC)cc2)n1N=Cc1ccc(Cl)c(Cl)c1 2328585174 YZJNIJIWCQPGGQ-UHFFFAOYSA-N 449.407 5.763 30 10 IKEE CC[C@H](C)N(C(=O)C=Cc1cccc(F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2329631983 FWARWOSOBBMECD-ZDUSSCGKSA-N 433.367 6.708 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(CCc3cccs3)n2N=Cc2ccccc2)cc1 2329647457 JMJHCLBWGHUCMG-UHFFFAOYSA-N 449.561 5.208 30 10 IKEE COc1ccc(OC)c(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2)c1 2330491545 AQVLHNSUDWBOSM-UHFFFAOYSA-N 444.560 5.061 30 10 IKEE Cc1cccc(CSc2nnc(-c3cccs3)n2N=Cc2c(F)cccc2Cl)c1 2330548555 GEGMKGODEJYJJC-UHFFFAOYSA-N 442.972 6.282 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2-c2ccccc2)c(OC)c1 2330624145 XUDTYIJVJDCRSY-UHFFFAOYSA-N 444.560 5.445 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)CCCC4)cc2)cc1 2330679687 VOFOMFKGXMUYGM-UHFFFAOYSA-N 438.567 6.562 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc4nc(C)c(C)nc4c3)cc2)cc1 2330741176 OQHJWNNMSVSSSY-UHFFFAOYSA-N 436.511 5.924 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)cc([N+](=O)[O-])c1OC(=O)C(C)(C)C 2330761773 ORIZKKWIFXLGKC-UHFFFAOYSA-N 425.481 5.404 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C2CC2)c(Br)c1)c1ccc(Cl)cc1Cl 2330808613 AXCXZDSLHIJKTN-UHFFFAOYSA-N 440.120 5.967 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cnc(C)cn3)c(OC)c2)cc1 2330849477 UOAOFJWLMOFODA-UHFFFAOYSA-N 430.504 5.252 30 10 IKEE CCCCCOc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCCC)cc1OC 2330860230 CTLSGSFYTHUHJF-UHFFFAOYSA-N 432.634 5.829 30 10 IKEE CCOc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2cccc(Cl)c2)cc1 2330873367 GFZAJZUZNKKBCQ-UHFFFAOYSA-N 443.016 6.093 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2-c2ccccc2)cc1)c1ccccc1Cl 2330910924 VIEDFIRENRHMBG-UHFFFAOYSA-N 438.910 7.122 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2C2CCCC2)cc1 2331072080 OEBBJMZXAIPFBJ-UHFFFAOYSA-N 434.609 6.126 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)c1ccncc1 2331115812 IGZRDKNRXMBQNR-UHFFFAOYSA-N 428.271 5.512 30 10 IKEE FC(F)(F)c1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(Cl)cc1 2331152011 WNAONIAPFNLFCE-UHFFFAOYSA-N 431.270 5.778 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc(Br)c1OC(=O)CC(C)C 2331182668 VAPZJEWWDAQKQW-UHFFFAOYSA-N 431.326 5.695 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccco2)c1 2331188468 HMSPPOLMGUCYAQ-UHFFFAOYSA-N 449.492 5.020 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cccs3)c(OC)c2)cc1 2331311538 RZABAJWRCGQSRM-UHFFFAOYSA-N 436.529 5.590 30 10 IKEE COc1ccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(C)c3)cc2)cc1 2331332809 PGBBRRVPIPGJBK-UHFFFAOYSA-N 448.490 5.803 30 10 IKEE O=C(CCCOc1ccccc1)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1 2331396507 HRAYNSFTUOVWMQ-UHFFFAOYSA-N 444.483 5.119 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC(=O)c1ccccc1 2331447423 RUXBCTCKFBEWCI-UHFFFAOYSA-N 442.467 5.268 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2)cc1 2331491538 PCCXPXYADYEJQG-UHFFFAOYSA-N 444.527 6.089 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CCC2)cc1 2331525532 AAKXIAMJOOTUST-UHFFFAOYSA-N 426.973 5.772 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2cc(OC)c(OC(C)=O)c(OC)c2)cc1 2331541820 APJRKMFVGIVXLK-UHFFFAOYSA-N 440.536 5.874 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)cc3)cc2)c1 2331673674 PWPFHWDDMIUMKF-UHFFFAOYSA-N 444.527 5.837 30 10 IKEE C=CCNC(=O)c1c(NC(=O)C=Cc2ccc(Cl)cc2Cl)sc2c1CCCC2 2331726474 OMVWZMRDISNQPI-UHFFFAOYSA-N 435.376 5.501 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2ccco2)c([N+](=O)[O-])c1 2331756862 FOUGLNKYGIBZBG-UHFFFAOYSA-N 441.823 5.274 30 10 IKEE CCOC(=O)/C(=N/Nc1cc(C(F)(F)F)ccc1Cl)N1c2ccccc2C[C@H]1C 3179814 RBZDMPNHKBUYND-QEFPVEFJSA-N 425.838 5.099 30 10 IKEE O=[N+]([O-])c1cc(Br)c(O)c(/C=N/c2ccc3oc(-c4ccncc4)nc3c2)c1 3184760 JGRYUETVEAPBFZ-LSHDLFTRSA-N 439.225 5.017 30 10 IKEE N#Cc1c(NC(=S)NC(=O)c2sc3ccccc3c2Cl)sc2c1CCCC2 3207149 HTSUEBCAOYWIDE-UHFFFAOYSA-N 431.995 5.493 30 10 IKEE COc1ccccc1/N=C1/SCCCN1C(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 13098611 WJQBTRQHJWKXAD-QKEWGDHZSA-N 433.577 5.568 30 10 IKEE N#Cc1c(NC(=O)c2ccc(Cl)cc2Cl)sc2c1CCN(Cc1ccccc1)C2 19942242 KZOOYHYVUGGTPY-UHFFFAOYSA-N 442.371 5.737 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)Nc3ccc(OCCCC)cc3)cc21 22509769 TUTLEZVNKCIISY-UHFFFAOYSA-N 437.540 5.447 30 10 IKEE CC[C@@H](Sc1nc(-c2ccccc2)cc(-c2cc(OC)ccc2OC)c1C#N)C(=O)O 22868794 PHDILECXPXDNHB-JOCHJYFZSA-N 434.517 5.260 30 10 IKEE CCCn1cc(CN/C(=N/C(=O)c2cccc(C)c2)Nc2ccc(C(C)C)cc2)c(C)n1 32972919 AUGHCYBHAAIANF-UHFFFAOYSA-N 431.584 5.431 30 10 IKEE N#Cc1c(C(F)(F)F)cc(-c2ccc(OCc3ccccc3)cc2)nc1SCC(=O)O 33437349 RWCXLMANLIWDRC-UHFFFAOYSA-N 444.434 5.395 30 10 IKEE O=C1/C(=C\c2cc(Br)cs2)CCC/C1=C/c1cc(Br)cs1 34145389 KGCRDLSSNNHMBD-GGXLTUIBSA-N 444.213 6.555 30 10 IKEE Cc1cc2c(cc1C)C(=O)/C(=C/c1cn(-c3ccc([N+](=O)[O-])cc3)nc1-c1ccccc1)O2 39842724 HWVRCLQMWOEOEP-OYKKKHCWSA-N 437.455 5.681 30 10 IKEE COc1ccc2c(c1)c(/C=C1\Oc3c(CN4CCCCCC4)c(O)cc(C)c3C1=O)cn2C 41514351 VFILOWBIWDZHPG-CFRMEGHHSA-N 446.547 5.193 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc3nc(-c4cccc(Cl)c4)oc3c2)c1 62050164 WNZBBSYVICXPTJ-UHFFFAOYSA-N 445.950 7.238 30 10 IKEE Cc1sc2ncnc(SCc3cccc(C#N)c3)c2c1-c1ccc2c(c1)CCCC2 96536258 LIODWCCYVPTGQD-UHFFFAOYSA-N 427.598 6.710 30 10 IKEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnc(-c2cccs2)s1 97542484 RFBLHWXLMVKRCC-UHFFFAOYSA-N 431.542 5.883 30 10 IKEE C/C(=N\OCc1ccccc1F)c1cc(-c2ccc(F)cc2)n(-c2cccc(C)c2)c1C 97632255 VTIODPHLUKWRFN-NDZAJKAJSA-N 430.498 6.980 30 10 IKEE Cc1cccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccccc3)S2)c1 100146246 RTRWIQBAYBPYLT-MCMRFMRISA-N 429.545 5.156 30 10 IKEE CCCCCCCCCCCCCC(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 100442658 ZATLFVHXLDXNDJ-UHFFFAOYSA-N 428.661 7.389 30 10 IKEE CCCCCCCCCCCCCNC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 100839049 VEPMJWISIBNJRJ-QHCPKHFHSA-N 436.662 5.701 30 10 IKEE CCCCCCCCn1c(CCCCCNC(=O)/C=C/c2ccccc2)nc2ccccc21 102174441 SQIPOSSPNQPRSO-QURGRASLSA-N 445.651 6.939 30 10 IKEE COc1ccc(/N=C(\N2CCCCC2)P(=O)(N2CCCCC2)N2CCCCC2)cc1 103940334 STMWIRUKXDCINS-WCWDXBQESA-N 432.549 5.334 30 10 IKEE CCOc1ccccc1/N=C1/SC[C@@H](C)N1C(=O)CC(c1ccccc1)c1ccccc1 105093122 KUIFEZJFZVKLAD-SQXAAPRXSA-N 444.600 6.259 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2cccc(OC)c2)c1 169933996 KQLVCCLKVZWYAV-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccc(O)cc2)cc1C 169960092 BGKCBXFYSWJKRG-DEOSSOPVSA-N 427.500 5.409 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2Cc2ccc(F)cc2)c1 169972610 LDRHCYKHJOJPES-RUZDIDTESA-N 429.491 5.232 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(O)c(Cl)c1 170041125 FZRRKXRVACNKKB-QHCPKHFHSA-N 433.891 5.148 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(O)c(Cl)c2)cc1 170042055 WDKAPDJFLOTCIQ-QFIPXVFZSA-N 439.939 5.519 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@H]2c2ccc(F)cc2)c1 170061637 LGIJPEOAIGLLDI-DEOSSOPVSA-N 445.490 5.570 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1c[nH]c2ccccc12 170078517 HBMKUMXWLRDMHZ-QHCPKHFHSA-N 448.494 5.227 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(O)cc1)c1ccc(Cl)c(Cl)c1 170135638 JZTMKXDWIMKINS-FQEVSTJZSA-N 446.330 5.610 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccc(C)c2)c1 170140992 NHEBXHRWCUSFIW-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1cccc(C)c1 170141604 SUKGDYCHQQRRBV-HSZRJFAPSA-N 427.500 5.403 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@H]1c1cccs1 170160669 CGQFNHYRBAYLRI-QFIPXVFZSA-N 447.556 5.773 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2cccs2)c(C)c1 170160875 SNQFCDVZILGIER-QHCPKHFHSA-N 445.540 5.473 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccccn1 170179388 QUGUZCOHBARBQT-QHCPKHFHSA-N 432.564 5.599 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@@H]1c1cccc2ccccc12 170220927 IQCFFIUBXBLQMJ-QHCPKHFHSA-N 433.479 5.366 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2)c1 170233842 FPWXXJPDGITQEW-OAQYLSRUSA-N 425.912 5.260 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(F)c4)[C@H]3c3ccc(C)o3)oc12 170299148 LIMFLBQPPSBLQP-NRFANRHFSA-N 447.418 5.265 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(C)o2)c1 170303713 OWCADPOQWPTWSS-QHCPKHFHSA-N 431.488 5.468 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2ccc(C)o2)cc1C 170304317 VSYQHMTXZWTFPV-QHCPKHFHSA-N 447.487 5.005 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1sccc1C 170319417 RANQBQSOYQSNAC-NRFANRHFSA-N 439.621 6.431 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCc2ccc(F)cc2)cc1 170471238 JHZYIASOBINDCI-HSZRJFAPSA-N 447.506 5.537 30 10 IKEE Cc1ccc(SC2=CC(=Nc3ccccc3)c3c(O)c4ccccc4c4onc2c34)cc1 254309003 DLTLVWTVUAZCQL-UHFFFAOYSA-N 434.520 7.263 30 10 IKEE CCn1c2ccccc2c2cc(C=Nc3ccc(C)c(I)c3)ccc21 254566350 JXIHQBARDLAAOR-UHFFFAOYSA-N 438.312 6.478 30 10 IKEE O=C(OCc1ccccc1)N1C[C@@H](CS)[C@H](c2ccc(Br)c(Cl)c2)C1 382681675 AVDMBDVKONARNR-HOTGVXAUSA-N 440.790 5.385 30 10 IKEE Cc1[nH]c2ccccc2c1[C@H]1C(c2ccc(Cl)cc2)=C(O)C(=O)N1c1ccc(C#N)cc1 526487568 BPNBLXAHRQCSKA-DEOSSOPVSA-N 439.902 6.059 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccc(OC(C)C)c2)c1 526490648 XCTMIOHKQSHPFK-VWLOTQADSA-N 440.499 5.411 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1cn(CC)c2ccccc12 526806014 WGMOSTXCJPAGDV-QQXSKIMKSA-N 431.609 6.078 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccc([N+](=O)[O-])cc1 526807809 CUSIKXAIRHGXFV-XKZIYDEJSA-N 429.933 5.357 30 10 IKEE CCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1ccc(OC(C)C)c(OC)c1 526809419 FASDHTQYPXYUHZ-QFEZKATASA-N 438.597 5.428 30 10 IKEE Cc1ccc(CSc2nnc(C)n2/N=C\c2c(Cl)ccc(Cl)c2Cl)c(C)c1 526810886 REQQTQUEDKYLPL-AQHIEDMUSA-N 439.799 6.338 30 10 IKEE COc1c(Cl)cc(/C=N\n2c(C)nnc2SCc2ccccc2Cl)cc1Cl 526815725 LMGFZWVKDBKXMH-AFPJDJCSSA-N 441.771 5.730 30 10 IKEE N#Cc1ccc(CN(c2ccc(N3CCCCC3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 586203304 MZUHBGFHXYMZJV-UHFFFAOYSA-N 449.551 5.083 30 10 IKEE C=C(C)CN(c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586251056 GBFYUIQUKPOADZ-UHFFFAOYSA-N 427.488 5.654 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCN(C(=O)OC(C)(C)C)[C@@H]1C 698375113 RKSVCOVXIKFLTO-OSPHWJPCSA-N 445.560 5.118 30 10 IKEE Cc1ccc2c(c1)[C@@](C#N)(N(C(=O)OC(C)(C)C)c1ccc(Br)cc1)CC2 698445509 OVQZKADQTQRNDD-JOCHJYFZSA-N 427.342 5.864 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1c(F)cccc1Cl 698452871 CWHPQTJQXIXQIZ-MRXNPFEDSA-N 439.712 6.248 30 10 IKEE COc1ccc(N=Cc2cc([N+](=O)[O-])ccc2N2CCC(c3ccccc3)CC2)c(OC)c1 1084142627 JHIWFJXVZOXFCS-UHFFFAOYSA-N 445.519 5.747 30 10 IKEE COC(=O)c1ccc(C=NNc2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)cc1 1084625356 REPTXINEIGFGOI-UHFFFAOYSA-N 427.529 6.018 30 10 IKEE Cc1cc(O)ccc1N/C(=N/Cc1cc(Br)ccc1F)N1C[C@@H](C)C[C@@H](C)C1 1088663296 KJROPGRECUHHRS-GASCZTMLSA-N 448.380 5.548 30 10 IKEE C/C(=C1/SC(=Nc2ccncc2Cl)N(C2CCCCC2)C1=O)c1ccc(O)cc1 1772738743 VZXKXSHVTLIMHQ-FTNSYOLJSA-N 427.957 5.767 30 10 IKEE C=CCOc1ccc(/C=C2/SC(=Nc3nc(C)cs3)N(C3CCCCC3)C2=O)cc1 1772740191 WLVIVOSALIBROR-SKYIDQJDSA-N 439.606 5.953 30 10 IKEE CN(C(=O)c1ccc(-c2ccccc2)cc1)c1ccc(NC(=O)c2cccc(C#N)c2)cn1 1858257544 MGFADEOKLICWHJ-UHFFFAOYSA-N 432.483 5.149 30 10 IKEE CCc1nc2ccccc2c(C(=O)Nc2c(C#N)cnn2-c2cc(C)c3ccccc3n2)c1C 1859656826 DUZHMKXFBDXRDF-UHFFFAOYSA-N 446.514 5.272 30 10 IKEE Cc1ccc(SCCC(=O)Nc2c(C#N)cnn2-c2cc(C)c3cccc(C)c3n2)cc1 1859656981 MHWXYEGVCUTBDG-UHFFFAOYSA-N 441.560 5.338 30 10 IKEE Cc1ccc(-n2nc(C)c3cc(C(=O)Nc4sc5c(c4C#N)CCCC5)cnc32)cc1 1859742928 NHNGNBRZONTKEO-UHFFFAOYSA-N 427.533 5.102 30 10 IKEE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)Nc1c(C#N)cnn1-c1ccccc1 1859760897 NACAEAXCMTZWSU-UHFFFAOYSA-N 448.313 5.674 30 10 IKEE C=C(C)Cn1nc(C)c(CCC(=O)N2CCC[C@@H]2c2nc3ccccc3n2C(C)C)c1C 1860322248 GACUDMUXWRNGFT-XMMPIXPASA-N 433.600 5.303 30 10 IKEE CCCCCCCCNC(=O)[C@@H](NC(=O)c1cc(Cl)ccc1OC)c1ccccc1 1861539966 VUYVUPSPRYDJBN-QFIPXVFZSA-N 430.976 5.296 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(C(C)(C)C)cc1 1862382801 KPXSNBOSLWISHX-HXUWFJFHSA-N 444.358 6.055 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc2cc[nH]c2c1 1862432662 KATUNNMCFTZWSX-XFEVJDRUSA-N 448.950 5.978 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1 1862444023 WGNNUTZEGPRIGC-YFZFPPMRSA-N 427.903 5.636 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2ccc(F)cc2F)cc1 1862478062 YCLHIHHGRXEBPN-DEOSSOPVSA-N 447.481 5.669 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccc(C)c1 1862660697 OXVNKHNYPFLOMR-VWLOTQADSA-N 449.591 5.904 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2ccco2)c1 1862662328 HPHOBUMXUPWQPZ-HSZRJFAPSA-N 431.488 5.190 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccccc2F)c1 1862702463 CQSUVUGJXRPUTN-QHCPKHFHSA-N 437.511 5.526 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 1862736994 QXESCMWYFNHMLC-JOCHJYFZSA-N 434.492 5.286 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cccc(Cl)c1 1862740856 IIFDHWNGYCYUHT-FQEVSTJZSA-N 442.899 5.407 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cccc2ccccc12)c1ccc([N+](=O)[O-])cc1 1862756295 LJQBVSNGDLZQQE-HSZRJFAPSA-N 442.471 5.269 30 10 IKEE N#Cc1cccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(CCCc3ccccc3)C2=O)c1 1863173264 MWSIVYGGOKNBTE-UHFFFAOYSA-N 441.918 5.036 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(Nc3ccccc3C#N)=C(c3cc(C)ccc3C)C2=O)cc1 1863409020 VMGJPPBQPWHKIF-HXUWFJFHSA-N 449.554 5.691 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C)c(C)c2)=C(c2ccccc2OC)C1=O 1863424342 JCPILNXZWFBWDL-UHFFFAOYSA-N 434.580 5.865 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(F)c2)=C(c2ccc(F)c(C)c2)C1=O 1863453725 TTYIMTUSFWCBTE-UHFFFAOYSA-N 426.507 5.826 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(NC(C)=O)cc2)C(=O)N([C@@H](C)CC)C1=O 1863547181 LQHLRKKOBWHUKV-IBGZPJMESA-N 441.616 5.254 30 10 IKEE Cc1ccc([C@@H](C#N)NC(=O)[C@H](NC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2)cc1 1867865577 AORUXGIVOSDTJD-JWQCQUIFSA-N 439.559 5.145 30 10 IKEE COc1cccc([C@@H]2c3ccccc3CCN2c2cc(Nc3ccccc3C#N)nc(C)n2)c1 1868490988 ZUSZNTRDTSDNAW-MUUNZHRXSA-N 447.542 5.561 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC[C@H](Oc3ccccc3)C2)nc(-c2ccccc2C)n1 1869158789 MQSWOLVKXPBZLR-DEOSSOPVSA-N 440.591 5.678 30 10 IKEE CCCCCCCCn1cc(OCCCc2ccccc2)c(=O)cc1CSC(C)(C)C 1870192608 RWUOCHVXCJMVAG-UHFFFAOYSA-N 443.697 7.252 30 10 IKEE C=CCn1cc(OCCCOc2ccc(C)cc2)c(=O)cc1CSc1ccc(C)cc1 1870220301 UVBGKQBGCLFWLB-UHFFFAOYSA-N 435.589 5.791 30 10 IKEE CCCCCCCCn1cc(OCCc2ccccc2)c(=O)cc1CN1CCC[C@@H](C)C1 1870691815 PRTMYZPFSVQVNF-XMMPIXPASA-N 438.656 6.062 30 10 IKEE C=CCn1cc(OCCc2ccccc2)c(=O)cc1CNc1cccc(Br)c1 1871141534 YSDGIHQCVUSZOG-UHFFFAOYSA-N 439.353 5.030 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc3c2CN(CCc2c[nH]c4ccccc24)CO3)C1=O 1871344921 IXYVEZREFZEQCL-WGARJPEWSA-N 436.511 5.487 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O3)CN(CCCN(C)C)CO2 1871346708 SCKRYGZFBKGOKT-HAHDFKILSA-N 434.580 5.012 30 10 IKEE CCCCC[C@H](CC)N1COc2cc(C)c3c(c2C1)O/C(=C\c1sccc1C)C3=O 1871347476 BDZSAAUITLFQCI-PKIWBCANSA-N 425.594 6.492 30 10 IKEE Cc1cc(OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc2c1C(=O)/C(=C/c1ccccc1F)O2 1871377620 UVDIMGSRVGDMHI-HQHQWOAWSA-N 445.402 5.277 30 10 IKEE Cc1cccc(OCCCCOc2cc(C)c3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)c1 1871403083 DOPRLBFDHHJXHL-XYGWBWBKSA-N 448.946 6.811 30 10 IKEE Cc1cccc(OCCCCOc2cc(C)c3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)c1 1871403415 KTGIUDNSGLVVEI-XYGWBWBKSA-N 432.491 6.297 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(O[C@H](C)C(=O)Nc3ccccc3C)c2C)C1=O 1871410088 WXYXAMVNRQSMRU-YPFLROGLSA-N 427.500 5.634 30 10 IKEE CCc1ccc(NC(=O)[C@@H](CC)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2)C3=O)cc1 1871424803 AJAZWNUXZAAXNP-TXUMJUCDSA-N 441.527 5.970 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(C(C)(C)C)cc2)ccc2c1O/C(=C\c1ccncc1)C2=O 1871445100 JHIAMJHYFANJSZ-HAHDFKILSA-N 442.515 5.321 30 10 IKEE CCc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871453992 CRUWEIMCLRRHNG-UCQKPKSFSA-N 447.918 5.845 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cc(C)cc(C)c4)ccc3C2=O)cc1 1871454013 DRROKROPKIPFBC-QFEZKATASA-N 427.500 5.500 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2C)C3=O)cc1Cl 1871456900 CRGVJBHQMHAGDB-FMCGGJTJSA-N 447.918 5.899 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cc(C)cc(C)c1)c1ccccc1)S(=O)(=O)c1ccccc1 1871993650 GYQCETNBYXMIDK-RUZDIDTESA-N 448.588 5.250 30 10 IKEE C=CCN([C@H](CC)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1cc(C)ccc1C 1872019676 YRKXTGUPRWSIDR-JOCHJYFZSA-N 442.625 5.195 30 10 IKEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(=O)(=O)c1ccccc1 1872206672 BKYOXUSKMRJQJL-NRFANRHFSA-N 448.588 5.256 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1ccc(C)cc1 1872302207 DSLVPPCMRNUYGY-QFIPXVFZSA-N 449.016 5.331 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccccc1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872411747 UIUSGDAJDHSCGY-QHCPKHFHSA-N 442.625 5.294 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccccc1C(C)C)[C@H](C)CC)S(=O)(=O)c1ccccc1 1872460043 BEWHELJLASYSNU-YKSBVNFPSA-N 442.625 5.430 30 10 IKEE CCOc1ccc(CCC(=O)[C@@H](C#N)c2nc(-c3ccccc3OC)cs2)cc1OC 1872766809 KLJSPDOIZNUKIF-GOSISDBHSA-N 436.533 5.035 30 10 IKEE CCCCCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 1872773541 QAMJVPDXKSSCNS-FQEVSTJZSA-N 448.544 5.988 30 10 IKEE CC(C)c1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccccc3C(C)C)n2)cc1 1872776735 WGDKMIUHSLMYOK-AVRDEDQJSA-N 432.589 6.701 30 10 IKEE C=CCc1ccccc1OCc1cccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)c1 1872846788 RRNBOZRNJLUICF-UHFFFAOYSA-N 440.587 5.573 30 10 IKEE CCCCCCCCCCNC1=C(c2cc(F)cc(F)c2)C(=O)N(CCCCCC)C1=O 1873110556 CEEJTESLBFAACD-UHFFFAOYSA-N 448.598 6.355 30 10 IKEE CCCCCCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCC)C1=O 1873168920 PVABOADAVKDCEL-UHFFFAOYSA-N 449.639 5.924 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(F)c2)=C(c2cc(F)c(F)cc2F)C1=O 1873242252 WFRFLEPADPUQQG-UHFFFAOYSA-N 448.460 5.796 30 10 IKEE C=CCN1C(=O)C(Nc2cccc(Cl)c2C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422627 GRUXJZYGBBNTPV-UHFFFAOYSA-N 445.950 5.434 30 10 IKEE CCCCCCCCCCNC(=O)c1cc2c(N3CCCC3)ncnc2n1CCCC 1873581202 BLJUPFKJDRZORC-UHFFFAOYSA-N 427.637 5.702 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1ccc(F)cc1F 1874257885 CSQOGDLGORVBIH-LGJNPRDNSA-N 442.535 5.638 30 10 IKEE CCCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccccc1[N+](=O)[O-] 1874271416 UWLYXUOZJGFWQD-LFVJCYFKSA-N 431.521 5.315 30 10 IKEE Cc1cccc(OCc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccccc2)c1C 1874323864 LIHSQNFEQGGHAB-JFLMPSFJSA-N 446.551 5.788 30 10 IKEE CCSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1cccc(Br)c1 1874330339 QXPFXXKTYHDERU-OEAKJJBVSA-N 443.414 5.437 30 10 IKEE Cc1ccccc1/C=N/n1c(CCc2ccccc2C)nnc1SCc1ccc(F)cc1 1874361366 QGKAJHJZLGAWAW-OGLMXYFKSA-N 444.579 5.994 30 10 IKEE CCCSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(OCC)c(OC)c1 1874368155 XFCMXIFPWNIXGC-OEAKJJBVSA-N 430.961 5.390 30 10 IKEE COc1cc(/C=N/n2c(SC)nnc2-c2ccco2)ccc1OCc1ccc(C)cc1 1874463269 AGVTYJJBLBBBSR-ZVHZXABRSA-N 434.521 5.038 30 10 IKEE COc1cc(/C=N/n2c(SC)nnc2-c2ccco2)ccc1OCCCc1ccccc1 1874464062 PEJVMBQCTNASDI-KOEQRZSOSA-N 448.548 5.162 30 10 IKEE Fc1ccc(CSc2nnc(-c3ccco3)n2/N=C/c2ccc(C(F)(F)F)cc2)cc1 1874464454 KNCDPHQVKMZDSN-RPPGKUMJSA-N 446.429 5.871 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2-c2ccco2)cc1 1874467863 GCBGJFFYENLOPB-WYMPLXKRSA-N 443.359 6.328 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2C(C)(C)C)c1 1874484068 DAORTWAJKWDELK-WGOQTCKBSA-N 436.625 6.156 30 10 IKEE CN(C)c1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C(C)(C)C)cc1 1874484400 UGVGBCBOXUZPJA-ZVHZXABRSA-N 428.005 5.470 30 10 IKEE Sc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874564460 FUCXSKINKLUFHH-MFKUBSTISA-N 434.952 5.272 30 10 IKEE CCCCCOc1ccccc1/C=N/n1c(S)nnc1COc1ccccc1Cl 1874565720 QXCNWJGRNDMRQE-OEAKJJBVSA-N 430.961 5.250 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCCC2 1874571929 NULDVWGLIONQDD-UKTHLTGXSA-N 447.918 6.602 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2c(C)cccc2C)cc1 1874572458 OFFMTRKJCGIYBS-WYMLVPIESA-N 447.962 6.433 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1C 1874573791 FIYCEFYHSVOFJX-RMKNXTFCSA-N 427.327 6.786 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2c(OCC(=O)Nc3ccccc3C)ccc3ccccc23)c1 1874580172 AINVLGGFSOIVHE-FOCLMDBBSA-N 449.550 6.679 30 10 IKEE CCN(CC)C(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(C(C)(C)C)cc1 1874583129 XQCDCTILFXYIOI-GXDHUFHOSA-N 427.972 5.781 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2c(F)cccc2Cl)cc1 1874584048 TYGYEXKRCFZHNO-ZRDIBKRKSA-N 443.345 7.731 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1cccc(OCc2ccc(Cl)cc2)c1 1874599685 ZEANWHMJDFRIQC-JXMROGBWSA-N 447.745 7.131 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1)NC1CCCCC1 1874609678 DVBFCVQNTWDVDU-SDNWHVSQSA-N 442.353 5.173 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OCCCCCCC)cc2)cc(OC)c1OCC 1874624829 XMASSPHZPSCFEW-QGOAFFKASA-N 436.592 7.068 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OCc1cc(C)ccc1C 1874629020 IQYUWZXAOBGIMP-ACCUITESSA-N 442.599 7.411 30 10 IKEE Cc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(-c4ccccc4)cc3)c2)cc1 1874692869 BMKSHIPTNSUVPK-XMHGGMMESA-N 432.519 6.706 30 10 IKEE CCCCC(=O)Oc1cc(/C=C/C(=O)c2ccc(C)cc2C)c(Br)cc1OC 1874702204 KREDPVZLEDRPPN-PKNBQFBNSA-N 445.353 6.066 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCCOc3ccccc3)c2)cc1F 1874706994 JYHFJSTXVANHPK-WYMLVPIESA-N 434.463 5.495 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OC(=O)CC(C)C 1874713763 MVXNIDRAIREFCX-CMDGGOBGSA-N 445.353 5.922 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(F)c(C)c2)CSc2nnc(C3CC3)n21 1874842425 VHVHSYCBZMYHCR-FQEVSTJZSA-N 430.593 5.665 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3[N+](=O)[O-])c(OC)c2)cc1 1875101854 SKAKDXDQLGJKQD-GXDHUFHOSA-N 445.471 5.210 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(CC)cc3)c(OC)c2)cc1 1875107804 JUKVPPUGTQNKCZ-LDADJPATSA-N 442.555 6.716 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2c(F)cccc2Cl)c(Cl)c1)c1ccccc1Cl 1875113471 JDSNSGPFFZVVCM-CSKARUKUSA-N 449.692 6.901 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)Cc1cc(C)ccc1C 1875116284 UHWMMCBEBORXRV-WUXMJOGZSA-N 445.471 5.264 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccncc1 1875132780 NYTIZWMBPNYKBV-XVNBXDOJSA-N 442.298 5.902 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(Cl)c1OC(=O)CCOC 1875154913 CSVPMDJISLJYCH-VAWYXSNFSA-N 438.907 5.730 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1Cl)c1cccc(Cl)c1 1875155243 SNYQWSQRHAFNAD-ACCUITESSA-N 447.317 7.262 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)COc1ccc(C)c(C)c1 1875159055 ADONJITZMNVTQM-LFYBBSHMSA-N 434.463 5.332 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)C3CC3)c(Br)c2)c(C)c1C 1875166900 KMPRCWNIQAQVJN-RUDMXATFSA-N 429.310 5.286 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)c1sccc1C 1875171901 SNUFSYGNNIPFSA-SOFGYWHQSA-N 436.529 5.806 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)Cc1ccccc1Cl 1875179003 OMBBZWVBHJSESQ-FMIVXFBMSA-N 434.919 6.010 30 10 IKEE Cc1c(C(=O)N2CCC[C@H](COc3cc(C#N)ccn3)C2)sc2ccc(Cl)cc12 1891236086 RSERDQLOHQNURO-INIZCTEOSA-N 425.941 5.061 30 10 IKEE C[C@H](c1cccs1)N(Cc1ccccc1)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 1915407677 PJZXYXMXYJZXCU-HXUWFJFHSA-N 433.426 5.811 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(CCC)CCCN1C(=O)OC(C)(C)C 1922077168 LHIMWLLDTSZRMV-OZXSUGGESA-N 430.633 5.697 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CC[C@H](CC)CCNC(=O)OC(C)(C)C)NCCC 1922077999 SLADYPUXVIHCKC-LADGPHEKSA-N 432.649 5.849 30 10 IKEE C=C1C[C@@H]1C[C@H](NCCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997454491 DLPXKPOSLCYYKB-UMFSSWHCSA-N 428.617 5.165 30 10 IKEE CCc1ccc(NC=CC(=O)c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 2040744342 PGGMBRRMXMNRAX-UHFFFAOYSA-N 426.343 6.943 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(Cl)cccc1Br 2041200479 JGXWGWFLCQLUAG-RDJZCZTQSA-N 429.786 5.060 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2070600088 LXWPNTDSXCDWNX-KBMIEXCESA-N 449.636 5.876 30 10 IKEE CCC#CC[C@@H](NC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071347049 VMIKWMYSKRVNMT-LEAFIULHSA-N 429.560 5.270 30 10 IKEE CCCC[C@@](C)(C#N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071350268 WZXSJPBAOVYNOM-IZLXSDGUSA-N 429.560 6.598 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C12CCCC2 2072185620 OVSWZJADQANGEQ-XMMPIXPASA-N 445.535 5.393 30 10 IKEE CC[C@H](c1ccc(C2CC2)cc1)n1nc(C2(C)CC2)c(/C=N/O)c1I 2079053020 YIPRTJHXUPMUDB-ORWNMUSCSA-N 449.336 5.224 30 10 IKEE CCc1nn([C@H](c2cc(C)c(C)cc2C)C2(C)CC2)c(I)c1C#N 2079123842 DXYWPZBOKQPYHH-GOSISDBHSA-N 433.337 5.237 30 10 IKEE CC(C)(C)n1nc(C(F)(F)F)c(-c2ccc(F)c(C(F)(F)F)c2)c1Br 2080934623 RWBDREGGRAEYSG-UHFFFAOYSA-N 433.165 6.244 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCCCC(F)(F)C1 2112642823 FBEFEYLZCBPXRF-SFHVURJKSA-N 429.305 6.052 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)cc(Br)cc1F 2145542707 BPIFMZVASKPGDC-AEFFLSMTSA-N 445.348 5.075 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(C)cc(Br)c1F 2159124464 HURKSNGWZHNKAA-HKUYNNGSSA-N 441.385 5.244 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)C1([C@@H]2CCCCO2)CC1 2164402336 ROVKWEWQEKGAFE-MSOLQXFVSA-N 435.362 5.432 30 10 IKEE CC(C)N(C[C@H]1CCCN1C(=O)OC(C)(C)C)c1cc(Br)c(C#N)cc1F 2174810490 NDWUUJRFAPRQHD-OAHLLOKOSA-N 440.357 5.074 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2cc(Br)cc(F)c2C#N)C[C@H]1C1CC1 2198267717 VWXQCYINFKAOER-KDOFPFPSSA-N 438.341 5.050 30 10 IKEE Cc1sc(C(=O)N(Cc2ccccc2)[C@H](C)C(C)C)c(C)c1B1OC(C)(C)C(C)(C)O1 2255595707 ANGAZFZYHKCGPY-GOSISDBHSA-N 441.446 5.351 30 10 IKEE CC1(C)OB(c2cccc(Oc3cc(Cl)c(Br)cc3Cl)n2)OC1(C)C 2266705511 DYFJVMBUIDOZTA-UHFFFAOYSA-N 444.949 5.242 30 10 IKEE C=CCCC1([C@H](NC)c2cc(C)c(Br)c(C)c2)CN(C(=O)OC(C)(C)C)C1 2281057216 ZFOMSABMOPGGEM-LJQANCHMSA-N 437.422 5.530 30 10 IKEE CC1(C)OB(c2cccc(NC(=O)Nc3ccc(OCc4ccccc4)cc3)c2)OC1(C)C 2282749731 OTNMRMBZFRNGNU-UHFFFAOYSA-N 444.340 5.209 30 10 IKEE C=CCN1C(=O)C(=Cc2ccccc2OCc2c(Cl)cccc2Cl)SC1=S 2293161003 JOGOVARKRNQNBZ-UHFFFAOYSA-N 436.385 5.960 30 10 IKEE CCCCCCCCOc1ccc(C=C2SC(=S)N(c3ccccc3)C2=O)cc1 2296013984 NZBVUBDPWGGZOS-UHFFFAOYSA-N 425.619 6.832 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)CC[C@@H](C)CNC(=O)OC(C)(C)C 2296310380 JAVMVRBMMCPAOJ-YLJYHZDGSA-N 437.422 5.110 30 10 IKEE Cc1c(OCc2ccc(Cl)cc2)ccc2c1OC(=Cc1cn(C)c3ccccc13)C2=O 2296872133 VRYCFNBHOQHNDY-UHFFFAOYSA-N 429.903 6.335 30 10 IKEE CCN=C1SC(=Cc2ccc(OCc3ccccc3)c(Br)c2)C(=O)N1CC 2313556715 JEJCMCZMRJCVID-UHFFFAOYSA-N 445.382 5.340 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(OCCCC)c(OC)c2)SC1=Nc1nccs1 2314542129 HFYXLNKLRAODKS-UHFFFAOYSA-N 429.567 5.121 30 10 IKEE Cc1ccc(O)c(N=C2NC(=O)C(=Cc3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)S2)c1 2314557206 RYUJSUIXNDAACL-UHFFFAOYSA-N 435.461 5.069 30 10 IKEE CCCCCCCCCOc1cc(Br)cc(I)c1 2316717737 LZTVEUXBRVMIIL-UHFFFAOYSA-N 425.148 6.183 30 10 IKEE N#Cc1nc([C@@H]2C[C@H]2c2ccccc2)oc1NN=Cc1ccc(OC(=O)c2ccccc2)cc1 2320837048 IBVIJOUYVVHZSP-XZOQPEGZSA-N 448.482 5.483 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1cc(Cl)ccc1O 2321048313 ZSKNABIKKALWFW-UHFFFAOYSA-N 441.771 5.681 30 10 IKEE Cc1ccccc1CSc1nncn1N=Cc1cccc(OCc2cccc(Cl)c2)c1 2321813339 LUTNVGYVEXGKFJ-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE CCCCc1nnc(S)n1N=Cc1cccc(OC)c1OCc1ccccc1Cl 2321911185 PACHSTOUYNPNKY-UHFFFAOYSA-N 430.961 5.033 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(C(C)C)cc1)O3)CN(Cc1ccc(F)cc1)CO2 2322052099 GFLSPMZXAMJFKO-UHFFFAOYSA-N 443.518 6.226 30 10 IKEE CCCCC[C@@H](CC)N1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(CC)cc1)C3=O 2322075906 YGMFNGPMPDIYSC-JOCHJYFZSA-N 433.592 6.684 30 10 IKEE COc1cccc(C=C2Oc3c(ccc4c3CN(C3CCCCCC3)CO4)C2=O)c1OC 2322078826 MKICDPOONSXNLB-UHFFFAOYSA-N 435.520 5.195 30 10 IKEE CCCCC[C@@H](CC)N1COc2c(cc3c(c2C)OC(=Cc2ccc(OCC)cc2)C3=O)C1 2322356791 LJJNIHAFEIFXJE-JOCHJYFZSA-N 449.591 6.521 30 10 IKEE COc1ccc([C@H](C)N2COc3c(cc4c(c3C)OC(=Cc3sccc3C)C4=O)C2)cc1 2322437727 LDVCIRCPHRIRIY-KRWDZBQOSA-N 447.556 5.903 30 10 IKEE COc1cccc(C=CC(=O)c2cc(C)ccc2C)c1OCc1c(Cl)cccc1Cl 2322617630 RVQHUTHCGBXVAX-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE Cc1c(OC(=O)c2cccnc2)ccc2c1OC(=Cc1ccc(Cl)cc1Cl)C2=O 2322807867 LXEGSRVUMLOBQJ-UHFFFAOYSA-N 426.255 5.532 30 10 IKEE O=C(C=Cc1cccc(OCc2cccc(Cl)c2)c1)c1ccc(Br)cc1 2323081489 BAHDQMYJGIBSDJ-UHFFFAOYSA-N 427.725 6.578 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1OCc1cc(C)ccc1C 2323327361 WTLCLQJUVFJAOF-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2323630980 KOCYZXWHLJTLRY-UHFFFAOYSA-N 448.902 6.210 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(OC)c1OCCc1ccccc1 2324097889 MOVYULQTCTZHAE-UHFFFAOYSA-N 442.511 5.670 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(F)c2)cc(Cl)c1OCc1ccccc1 2324115607 DFZQDLSBFRAWRK-UHFFFAOYSA-N 440.898 6.362 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(OC)c1OCc1ccc(C)cc1 2324172888 JNSAKANYFIXNRI-UHFFFAOYSA-N 440.583 7.331 30 10 IKEE Cc1c(O[C@@H](C)C(=O)Nc2ccc(F)cc2)ccc2c1OC(=Cc1cccc(F)c1)C2=O 2324319796 INOZAHBOTRWNAX-HNNXBMFYSA-N 435.426 5.295 30 10 IKEE COc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)OC(=Cc1cccc(F)c1)C2=O 2324473663 LFQBDPBLHNFNJO-MRXNPFEDSA-N 447.462 5.165 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2cc(Cl)ccc2OC)cc1 2324693558 LKEXTXZLZAAQKU-UHFFFAOYSA-N 429.944 5.272 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCCOc4cccc5ccccc45)c3C)C2=O)o1 2324696838 BAHMSZMDBVYICN-UHFFFAOYSA-N 426.468 6.124 30 10 IKEE Cc1cc(OCc2ccccc2)cc2c1C(=O)C(=Cc1cc(Cl)cc3c1OCOC3)O2 2324844449 INLZNYVOHXZDOR-UHFFFAOYSA-N 434.875 5.710 30 10 IKEE O=C(C=Cc1cccc(OCc2ccccc2)c1)C(=O)Nc1cc(Cl)ccc1Cl 2325669526 RHOJNMXTCVCROS-UHFFFAOYSA-N 426.299 5.793 30 10 IKEE Cc1cccc(OCC(=O)Oc2cccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)c2)c1C 2325684542 FATGUEUDYKAPJR-UHFFFAOYSA-N 431.444 5.092 30 10 IKEE Cc1cccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)CCCC4)c2)c1C 2325701803 LKUJDAHBQLWMDP-UHFFFAOYSA-N 440.539 6.063 30 10 IKEE COc1cccc(C(=O)C=Cc2cccc(OC(=O)c3[nH]c4ccc(C)cc4c3C)c2)c1 2325708020 YZCNLVHDKASEEG-UHFFFAOYSA-N 425.484 5.909 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccccc3)c2)cc1 2325710042 HQSYHWUVPNIIJC-UHFFFAOYSA-N 428.528 6.082 30 10 IKEE CCCCOc1cccc(C=Nn2c(CCC)nnc2SCc2ccc(F)cc2)c1 2326251901 RKXLEYPTOBBKIR-UHFFFAOYSA-N 426.561 5.723 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cccc(OC(C)C)c1 2326359086 QMWNBUXQRUVUPL-UHFFFAOYSA-N 443.016 6.236 30 10 IKEE CCCc1ccc(OCc2nnc(SCC)n2N=Cc2ccccc2OC(C)C)cc1 2327352012 URJJNMZTTJCGMB-UHFFFAOYSA-N 438.597 5.591 30 10 IKEE CCCOc1ccccc1C=Nn1c(COc2ccc(Cl)cc2)nnc1SCCC 2327576079 GILXDLPNYBGGKJ-UHFFFAOYSA-N 444.988 5.684 30 10 IKEE Cc1ccc(C=Nn2c(CCc3ccc(Cl)cc3)nnc2SCc2ccccc2)cc1 2328056630 HBVIPGGUQNONLF-UHFFFAOYSA-N 447.007 6.200 30 10 IKEE C=CCSc1nnc(COc2ccc(OC)cc2)n1N=Cc1ccc(C(F)(F)F)cc1 2328403498 GLFDORQPEOUNDK-UHFFFAOYSA-N 448.470 5.045 30 10 IKEE CCCSc1nnc(COc2c(C)cccc2C)n1N=Cc1ccc(Cl)cc1Cl 2328559548 GGTZSNQDTGNGAL-UHFFFAOYSA-N 449.407 6.165 30 10 IKEE Fc1ccccc1C=Nn1c(CC2CCCCC2)nnc1SCc1ccc(Cl)cc1 2330282998 MLHOBWSFGAXDNW-UHFFFAOYSA-N 442.991 6.368 30 10 IKEE Cc1cccc(CSc2nnc(Cc3cccs3)n2N=Cc2ccc([N+](=O)[O-])cc2)c1 2330345164 UJVHPGVXKRMVNF-UHFFFAOYSA-N 449.561 5.322 30 10 IKEE COc1ccc(C=Nn2c(Cc3cccs3)nnc2SCc2cccc(F)c2)cc1 2330358782 IAKLIYATDCVRCY-UHFFFAOYSA-N 438.553 5.253 30 10 IKEE COc1cccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccc(C)cc2)c1O 2330452739 QADOWPOCOOVEJN-UHFFFAOYSA-N 444.560 5.066 30 10 IKEE Fc1ccc(CSc2nnc(-c3cccs3)n2N=Cc2cccc(Cl)c2)cc1 2330540903 KMBIKJZGMMXANN-UHFFFAOYSA-N 428.945 5.974 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2ccccc2F)cc1 2330653656 PWDTYEYMZWDKFG-UHFFFAOYSA-N 433.468 5.167 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)ccc1OC(=O)Cc1ccccc1F 2330939057 BJXSWSUZMLWLDV-UHFFFAOYSA-N 438.882 5.922 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 2330979985 XDWACVSPVWZXTC-UHFFFAOYSA-N 447.443 5.117 30 10 IKEE Cc1ccc(CSc2nnc(C(F)(F)F)n2N=Cc2cn(C)c3ccccc23)cc1 2331108957 VTCWEGIWWPCLGS-UHFFFAOYSA-N 429.471 5.272 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3cccc(Cl)c3)cc2[N+](=O)[O-])c1 2331124052 HJFUXMBMYOKNHH-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)Cc1ccccc1 2331331835 XTJOHULAAJSGDV-UHFFFAOYSA-N 438.882 5.840 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)Cc1cc(C)ccc1C 2331344430 MLEXMPQMTBESTG-UHFFFAOYSA-N 446.518 6.194 30 10 IKEE CCc1ccc(C=Nn2c(SCC(=O)Nc3ccc(C)cc3C)nnc2C2CCC2)cc1 2331546002 POXIBTWCPKKPTB-UHFFFAOYSA-N 447.608 5.338 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cc(Cl)ccc2Cl)cc1)c1ccc(F)c(F)c1 2331554849 DCZWNGIAKZBRLW-UHFFFAOYSA-N 433.237 6.387 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccco3)c([N+](=O)[O-])c2)cc1C(C)C 2331577618 NWNWEYUJRYTXMH-UHFFFAOYSA-N 449.459 5.744 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2Cl)cc1C 2331705893 ZGXMQTVLRURYSV-UHFFFAOYSA-N 432.947 6.618 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)C(C)C)c(Br)c1 2331794699 MGLHJVGGXOXMHY-UHFFFAOYSA-N 443.381 6.513 30 10 IKEE C=CCOc1ccccc1C=C1C(=O)N(Cc2ccc(C)cc2)N=C1c1ccc(OC)cc1 2332114209 DKXAAHQDMRRYEU-UHFFFAOYSA-N 438.527 5.399 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc3c(c2)O[C@H](C)C(=O)N3CC(C)C)c1 12236436 DFICPGHRKZJEMO-GOSISDBHSA-N 435.568 5.546 30 10 IKEE O=C1ON=C(c2ccccc2)/C1=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1 13897890 ZKUISVOJZNRREC-ZHZULCJRSA-N 448.272 5.013 30 10 IKEE CCN(CC)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 20884011 ZJDYSMAQHKTQRT-XHCCPWGMSA-N 443.616 6.574 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(C)c2)cc1 21218318 OANCJXDRCBTSQF-PZGXJGMVSA-N 438.571 6.763 30 10 IKEE COc1ccc(-c2cc(/C(C)=N\OCc3ccc(F)cc3)c(C)n2-c2ccccc2F)cc1 35843380 XWZBDQJVALTDIS-YKQZZPSBSA-N 446.497 6.680 30 10 IKEE CC(C)(C)c1ccc(/C=C/c2nc(C#N)c(N3CCN(C(=O)c4cccs4)CC3)o2)cc1 36629224 PCSMDQHLJUPJID-DHZHZOJOSA-N 446.576 5.038 30 10 IKEE C=CCc1ccccc1OCCCCn1c(COc2cc(C)ccc2C)nc2ccccc21 40234393 HOGIGJDORVCLFG-UHFFFAOYSA-N 440.587 6.820 30 10 IKEE COc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)c1 41287528 MQWGIBHGAROCRV-IWIPYMOSSA-N 442.511 6.137 30 10 IKEE CCCCCCCOc1ccc(NC(=O)CNc2ccc(C(=O)N(CC)CC)cc2)cc1 100098667 DJUFDNOTEAAVEN-UHFFFAOYSA-N 439.600 5.568 30 10 IKEE CCCCCCCN1C(=O)C[C@@H](C(=O)Nc2cccc(C)c2)S/C1=N\c1ccccc1 100171412 PUXQZESGIRYIGC-YMVPSHTBSA-N 437.609 5.926 30 10 IKEE CCCCCCCCCCCCCC(=O)Nc1cccc(NC(=O)Cc2ccccc2)c1 100442552 JVLAQYLPIBQLIU-UHFFFAOYSA-N 436.640 7.507 30 10 IKEE CCCCCCCCCCCCn1c(CCCCCNC(=O)C2CC2)nc2ccccc21 102165214 PNGSTLIFRMYFGY-UHFFFAOYSA-N 439.688 7.196 30 10 IKEE CCCCCCCCCCCn1c([C@H](C)Oc2ccc(Cl)cc2)nc2ccccc21 102189051 NYHLODMICPBNCW-NRFANRHFSA-N 427.032 8.361 30 10 IKEE O=C(COc1cccc(Cl)c1)/N=C1/c2ccccc2CN1c1cccc(C(F)(F)F)c1 102957856 HYCXMWDSRXLBCS-SLMZUGIISA-N 444.840 5.731 30 10 IKEE Cc1ccc(-c2nc3ncccc3o2)cc1N/C=C1/C=C(Cl)C=C(Br)C1=O 136147445 MPGGYZQXSGTGHY-RAXLEYEMSA-N 442.700 5.478 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@@H]1c1cccs1)c1ccc(F)cc1 169986241 YIRYFRSKYXLFHY-JOCHJYFZSA-N 429.472 5.823 30 10 IKEE CC(C)Oc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccccc2)cc1 170053705 MRHMNETZVLORAK-QHCPKHFHSA-N 447.918 5.910 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 170062661 KKHYCRZXJIIEFD-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccc(C(C)C)cc2)s1 170067658 ZWABWNPHMKTQGK-NRFANRHFSA-N 447.560 5.057 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1cccc(O)c1)c1cccc(Cl)c1 170079846 TVMLMHPOEOHMEF-HXUWFJFHSA-N 441.817 5.107 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@H]1c1ccccc1OC 170125524 NRMSYZAZTNSCPS-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccc(C)c2)cc1 170140629 NHADXEZQPLLEOR-QHCPKHFHSA-N 431.463 5.316 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(F)cc1)c1cc2cc(Cl)ccc2o1 170239676 JOIWECQEIQIVOY-QFIPXVFZSA-N 447.849 6.008 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1c[nH]c2ccccc12)c1cc2ccccc2o1 170256418 KUIJQFLFFMRDAN-HSZRJFAPSA-N 426.472 5.435 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2c2ccccc2)cc1 170265506 DMWCVFPEFZGDDC-XMMPIXPASA-N 427.500 5.349 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)[C@H]2c2ccc(C)o2)cc1 170303953 BWPDCTNONUQVTL-JOCHJYFZSA-N 447.874 6.079 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 170362668 QRGJLRMKVFYFNJ-XMMPIXPASA-N 438.483 5.130 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(O)c(Cl)c2)cc1C 170368231 BAWJYSKVGMGWQM-HXUWFJFHSA-N 439.920 5.507 30 10 IKEE Cc1nc(CSc2ccccc2C(=O)Nc2cccc(C#Cc3ccccc3)c2)cs1 248044461 PUBZMDUPNOHTJV-UHFFFAOYSA-N 440.593 6.396 30 10 IKEE CCN1C(=O)/C(=C2\Sc3ccccc3N2C)SC1=Nc1cc(C(C)C)c(O)cc1C 254305586 JRCSBPUQZUADDP-QLMUGPIMSA-N 439.606 5.818 30 10 IKEE COC(=O)c1ccc(N=C2S/C(=C/c3cc(C(C)C)c(OC)cc3C)C(=O)N2C)cc1 254765105 WEVCKVMWAVHJNI-QJDZWDSLSA-N 438.549 5.147 30 10 IKEE C[C@@H]1[C@H](C#CC(C)(C)C)C[C@@H](N(C=O)C2CCCCC2)C[C@H]1OC(=O)c1cccs1 409421810 FQCBDXRDFJWTSI-UGESXGAOSA-N 429.626 5.529 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(C)cc2)cc1Cl 526492509 ZLBVQKWCNCOCFH-XMMPIXPASA-N 444.918 5.976 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(O)cc2)cc1 526515909 MWCKTOGSHQOSJZ-DEOSSOPVSA-N 426.472 5.110 30 10 IKEE Cc1ccc(CSc2nnc(C)n2/N=C\c2cc(Cl)c(OC(C)C)c(Cl)c2)cc1 526804245 JWYICVBEEHRZRL-MYKKPKGFSA-N 449.407 6.163 30 10 IKEE CCOc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccc(C)cc2)cc1 526805333 KPFBZSYCOBUPEH-IMRQLAEWSA-N 442.588 5.751 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(NC(=O)Nc3cccc(F)c3)CC2)c1 586089966 WYUGDUWSCSAQGC-UHFFFAOYSA-N 438.547 5.090 30 10 IKEE N#CCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586243054 IMQKQEGKUQEVPO-UHFFFAOYSA-N 447.343 5.291 30 10 IKEE C=CCN(CC=C)C(=O)Nc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1 586641659 FNRLJOOPESJBLD-UHFFFAOYSA-N 425.532 5.412 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2ccc(Br)cc2F)c1 698479587 XCNPHVOSHDMFCT-GOSISDBHSA-N 435.293 5.603 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCO[C@H](C(F)(F)F)C1 698497638 NHIQSERFDLQCTF-YOEHRIQHSA-N 449.267 5.194 30 10 IKEE C[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)CCN1C(=O)OC(C)(C)C 698897159 YEKMRCBYYNDVDY-WAIKUNEKSA-N 433.524 5.249 30 10 IKEE CC(C)(C)c1nn(Cc2ccccc2)cc1/C=C/C(=O)c1ccc(C(F)(F)F)nc1O 763291254 YVIFNOPAODLBIR-PKNBQFBNSA-N 429.442 5.244 30 10 IKEE Cc1ccc(C(CSc2nc3ccccc3s2)=NNc2cccc([N+](=O)[O-])c2)c(C)c1 1084077696 INKBSZSWCACSAK-UHFFFAOYSA-N 448.573 6.430 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)CSc2n[nH]c(NN=C(C)c3ccc(C)cc3)n2)cc1 1084131207 SNZDJJMAVWFAGW-INIZCTEOSA-N 436.585 5.194 30 10 IKEE COc1cc(Br)cc(C=Nc2cc(C(F)(F)F)ccc2-n2ccnc2)c1O 1084552313 PLPHSCUQWGWHIB-UHFFFAOYSA-N 440.219 5.118 30 10 IKEE Cc1ccc(-n2c(C)cc3c2CC(C)(C)CC3=NOC(=O)c2ccccc2Cl)cc1C 1772728330 HUHPSFNKSPRRIL-UHFFFAOYSA-N 434.967 6.589 30 10 IKEE Cc1nnc(N=C2S/C(=C/C(Cl)=C/c3ccccc3)C(=O)N2c2ccccc2)s1 1772735820 GPKSXRUIGUZCNT-XOFWCIAWSA-N 438.965 5.778 30 10 IKEE CC(/C=C1\SC(=Nc2ccncc2Cl)N(c2ccccc2)C1=O)=C\c1ccccc1 1772738773 WADYOKAFGZDSQU-VWZIXLGRSA-N 431.948 6.490 30 10 IKEE C/C(C=NN=C1S/C(=C/c2ccc(F)cc2)C(=O)N1Cc1ccco1)=C/c1ccccc1 1772758782 DFZATLBSPNDLAM-ILPWQEAMSA-N 445.519 5.981 30 10 IKEE N#Cc1cccc(Cn2c(-c3ccccn3)nc3scc(-c4cccs4)c3c2=O)c1 1857803798 BANVMALVOPNCTG-UHFFFAOYSA-N 426.526 5.168 30 10 IKEE N#Cc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)n(Cc3c(F)cccc3Cl)n2)cc1 1859386020 SQEKNJMDBKODEG-UHFFFAOYSA-N 448.860 5.654 30 10 IKEE COc1cc(-c2nc3ccc(C(=O)Nc4ccc(C#N)cc4)cc3[nH]2)ccc1OCC(C)C 1859442013 DKISRZIZISQREC-UHFFFAOYSA-N 440.503 5.397 30 10 IKEE C=CCOC(=O)c1sc(NC(=O)C2(Oc3ccccc3Cl)CCCCC2)nc1C 1859737059 KKWJYGKPULMGAE-UHFFFAOYSA-N 434.945 5.168 30 10 IKEE CCOc1ccc(/C=C/C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OCC 1860728717 JVECEJZMXRRZHT-WEVVVXLNSA-N 441.833 5.377 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)c1ccc(OC(C)=O)cc1 1861373091 DMCXAAPASMWFQH-HSZRJFAPSA-N 432.605 5.157 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)c1ccc2nc(C)c(C)nc2c1 1861402852 YLXGXVWYXZJOQV-NRFANRHFSA-N 426.605 5.012 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](C)NC(=O)c1ccc(OCCCC)c(OCC)c1 1861750308 PZXXSGVXFORJST-NRFANRHFSA-N 448.648 5.639 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccc(C)cc2)cc1 1862389940 RDDUEOFYWQEQNZ-RUZDIDTESA-N 449.591 5.731 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2cccc(F)c2)cc1 1862390349 BHHHMUDIUHOQKK-XYURVEJXSA-N 449.566 6.325 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccccc2F)c1 1862429039 DWAIITWWOVLDJP-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2C)cc1 1862475314 IRXVDKVVCAITNQ-CLOONOSVSA-N 441.527 5.652 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccccc1C(=O)O 1862493442 PSWFQIXKNHYSBQ-JOCHJYFZSA-N 435.520 5.160 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc(F)cc2F)cc1 1862515899 GPGSKHXDWPJFNS-QFIPXVFZSA-N 443.490 5.378 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(O)c(OC)c1 1862549565 RNEZXDUOIYIPMR-XMMPIXPASA-N 449.547 5.048 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1cccc(OC)c1 1862557736 OUGGGEKLLUEODQ-NFBKMPQASA-N 436.552 5.215 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(Cl)c1 1862583620 GGOAJHOLPPETHK-VOJFVSQTSA-N 438.738 6.024 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C2CCCCC2)cc1 1862592758 JTPSPQIGMRUETM-HSZRJFAPSA-N 433.548 5.601 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2cccc(F)c2)cc1 1862617046 UDUWXHSRWOSEBL-QHCPKHFHSA-N 444.506 5.297 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cc(Cl)cc(Cl)c1 1862632183 LKQYUDOEYQHVCK-NSPYISDASA-N 448.302 5.099 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(C)cc2)cc1F 1862636614 KQIIKBKHHINOET-HSZRJFAPSA-N 449.453 5.060 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2ccc(F)cc2)c1 1862661211 UQZZKBSBIGLDGZ-VWLOTQADSA-N 443.518 6.036 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2ccc(O)cc2)cc1 1862663327 RRQWAXSEXWXTDE-QHCPKHFHSA-N 447.556 5.398 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CC2)cc1 1862670365 RTYJRAXLSJTMOJ-XMMPIXPASA-N 433.548 5.730 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccccc1C 1862699742 XKAXYBYPHPCSJJ-DEOSSOPVSA-N 435.564 5.942 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(F)cc3)C2=O)cc1Cl 1862766268 ZNHUGOXDNXTUJX-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE CC(C)Oc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 1863363387 YASZSNRWFLZWET-WZONZLPQSA-N 443.547 5.116 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2cc(C)ccc2C)=C(c2cc(C)ccc2C)C1=O 1863741334 LTWXOWYNFAVQMJ-UHFFFAOYSA-N 446.635 6.150 30 10 IKEE CC[C@](C)(NC(=O)C[C@@H](c1ccc(Cl)cc1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866755229 MCWIVUUWJJELHQ-QPPBQGQZSA-N 425.960 5.265 30 10 IKEE CCC[C@@H](NC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866984146 HUQSAFQAYBXGJW-NHCUHLMSSA-N 446.378 5.528 30 10 IKEE CC[C@@](C)(NC(=O)[C@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1ccccc1C#N 1866992946 BJARUVJUIVGPSH-NZQKXSOJSA-N 446.378 5.528 30 10 IKEE CC(C)c1ccccc1-n1nnc(C#N)c1NC(=O)/C=C/c1ccc(Cl)cc1Cl 1870140984 UIPRJKRKSKLNSG-CSKARUKUSA-N 426.307 5.221 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)OCC)c(=O)cc1CSC(C)(C)C 1870193450 BWOCOTOLDZJTAR-UHFFFAOYSA-N 439.662 5.963 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSC(C)(C)C 1870233074 VSUVRNVTTGFETB-UHFFFAOYSA-N 440.653 6.691 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2F)c(=O)cc1CN1CCC(C)CC1 1870341887 HXMALCNTFUJGCT-UHFFFAOYSA-N 442.619 6.159 30 10 IKEE CCCCCCCCn1cc(OCCO)c(=O)cc1CNc1cc(Cl)cc(Cl)c1 1870790195 MUYWFKWPOLBQDN-UHFFFAOYSA-N 441.399 5.499 30 10 IKEE C=CCOc1cn(CCCOCCCC)c(CNc2cccc(C(C)(C)C)c2)cc1=O 1870810645 LOAHRQIPXLIESI-UHFFFAOYSA-N 426.601 5.530 30 10 IKEE CCCCCCCOc1cn(CCN(C)C)c(CNc2cccc(C(C)(C)C)c2)cc1=O 1870838332 YZGUQVWFEYKAEH-UHFFFAOYSA-N 441.660 5.669 30 10 IKEE O=C1/C(=C/c2cccc(F)c2)Oc2c1ccc1c2CN(C23CC4CC(CC(C4)C2)C3)CO1 1871352989 KNPHMCBRQPGDEV-VROXFSQNSA-N 431.507 5.563 30 10 IKEE Cc1cc(C)cc(OCCN2COc3c(cc4c(c3C)O/C(=C\c3ccccc3)C4=O)C2)c1 1871355367 HCEUBJQIZCNIMQ-QFEZKATASA-N 441.527 5.459 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O)c1cc([N+](=O)[O-])ccc1Cl 1871372971 UTZQOVKRSSYCPW-ZDLGFXPLSA-N 427.821 5.145 30 10 IKEE Cc1cc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2F)C3=O)ccc1[N+](=O)[O-] 1871373931 VXXBLNAJOKWFPZ-NHDPSOOVSA-N 433.391 5.186 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc(OC(=O)Cc3ccccc3[N+](=O)[O-])c2C)C1=O 1871376434 KQYNALLAERKOMG-UNOMPAQXSA-N 435.457 5.037 30 10 IKEE Cc1cc(OC(=O)c2cccc(Oc3ccccc3)c2)cc2c1C(=O)/C(=C/c1ccccc1)O2 1871379243 NDCOQBIKBQBBDP-QQXSKIMKSA-N 448.474 6.623 30 10 IKEE CN(Cc1c(O)ccc2c1O/C(=C\c1ccccc1OC(F)F)C2=O)C1CCCCC1 1871393456 NXFUGTODJVTFIP-BKUYFWCQSA-N 429.463 5.374 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2F)C3=O)c(C)c1 1871414687 WTKSVFWDCNQBBJ-DNNAEVNTSA-N 445.490 5.773 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCc3cccc(C(=O)OC)c3)ccc2C1=O 1871416093 LJXLAHOVOALIFE-OYKKKHCWSA-N 430.456 5.067 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc(OCC(=O)Nc3ccccc3C)c2C)C1=O 1871453696 MXJBRRJSJVCCPA-IWIPYMOSSA-N 443.499 5.336 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 1871835368 LQWHFAKBQDHBJQ-HSZRJFAPSA-N 428.598 5.184 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1cccs1 1871836046 NLYGIWKYEFPRPD-FQEVSTJZSA-N 434.627 5.246 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)c(C)c1)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1871886394 VDTKMLLAAGRTMP-DEOSSOPVSA-N 442.625 5.150 30 10 IKEE C=C(C)CN([C@@H](CC)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)c(C)c1 1872460739 MIZYYIZIKQTKNS-QFIPXVFZSA-N 449.016 5.249 30 10 IKEE CC(C)c1ccccc1O[C@@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872763767 UOQPNGBTWRVLGS-KXBFYZLASA-N 435.505 5.485 30 10 IKEE COc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)c(OC)c1 1872764875 AKKPYOWVIRLBPK-AIADIJKESA-N 434.517 5.034 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccc(C)cc3)n2)cc1 1872765191 JPJTVAOFVMEZBV-HSZRJFAPSA-N 432.589 6.497 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(Cl)c(C)c3)n2)cc1C 1872765506 QPPDVDPQXIVDHX-QGZVFWFLSA-N 426.925 5.344 30 10 IKEE CC(C)Oc1ccc(/C=C(/C(=O)[C@H](C#N)c2nc(C(C)(C)C)cs2)c2ccccc2)cc1 1872767844 BHXBJMFOEMGLCP-DWFNGTSHSA-N 444.600 6.645 30 10 IKEE Cc1cc(-c2csc([C@@H](C#N)C(=O)c3cccc(Oc4ccccc4)c3)n2)ccc1F 1872772763 SEYLSVBXCFGZGE-NRFANRHFSA-N 428.488 6.540 30 10 IKEE COc1ccc(OC)c(CC(=O)[C@H](C#N)c2nc(-c3cccc4ccccc34)cs2)c1 1872775573 UQLOEKISOCQJMY-NRFANRHFSA-N 428.513 5.399 30 10 IKEE CCCCCCCCCCNC(=O)c1cccc(COc2c(C)cccc2C(C)(C)C)c1 1872833888 FXGKHIJZUYRTRU-UHFFFAOYSA-N 437.668 7.742 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(N(CC)CC)cc2C)cc2c(NCCCC)ncnc21 1873604201 OHTGOSBLOUZXLQ-UHFFFAOYSA-N 434.588 5.236 30 10 IKEE Cc1ccc(CSc2nnc(CCCOc3ccccc3C)n2/N=C/c2ccc[nH]2)cc1 1874248565 VSEYFYDJLMAREA-WPWMEQJKSA-N 445.592 5.409 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccc(C)cc3C)n2/N=C/c2ccco2)c1 1874325653 AKWMZMVABBEBNH-AFUMVMLFSA-N 432.549 5.550 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2cccc(Cl)c2)n1/N=C/c1cccn1C 1874400862 AYBDZFZRGQBYQB-SCELWYEFSA-N 435.984 5.596 30 10 IKEE Cc1cccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccc([N+](=O)[O-])cc2)c1 1874407388 UXNLXVAXAWKAOT-PCLIKHOPSA-N 449.580 5.792 30 10 IKEE COc1cccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2-c2cccs2)c1 1874424502 OWWXMUUVIQQTAJ-YDZHTSKRSA-N 440.981 5.843 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2-c2ccccc2)cc1 1874429164 USGQRPMOTZVNIM-WPWMEQJKSA-N 436.540 5.978 30 10 IKEE Cc1ccc(COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1 1874569701 FFCSGMMJGPPNDQ-BMRADRMJSA-N 438.954 7.791 30 10 IKEE CCN(CC)C(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccc2c(c1)CCCC2 1874571719 BVBWDHKRHCAKBV-WUKNDPDISA-N 441.571 5.862 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCc2ccc(Cl)cc2)cc1 1874572695 AIPDKOGRXYTOQU-JLHYYAGUSA-N 441.354 7.040 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCC(=O)NC3CCCCC3)ccc3ccccc23)cc1 1874575131 XKTZNDQHOHVEOI-WUKNDPDISA-N 443.543 5.572 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Br)cc(Br)c1OC 1874576677 AGENPOYIMJYPDB-BQYQJAHWSA-N 426.104 5.125 30 10 IKEE Cc1ccc(C(=O)/C=C/c2c(OCc3cccc4ccccc34)ccc3ccccc23)c(C)c1 1874579047 UHMVTSQNZDBHNY-ISLYRVAYSA-N 442.558 8.085 30 10 IKEE CCc1ccccc1NC(=O)COc1ccccc1/C=C/C(=O)c1ccc(OC)c(F)c1 1874582352 JVHCJJASZOKBDA-WYMLVPIESA-N 433.479 5.310 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OCC(=O)Nc1ccc(C)c(C)c1 1874596337 MAVAJOSAYFNTRB-XYOKQWHBSA-N 443.543 5.842 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OCC(=O)Nc1cc(C)ccc1C 1874596590 ZZEGFIRSTBKBPH-ZRDIBKRKSA-N 443.543 5.842 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2Cl)cc(OC)c1OCc1ccccc1F 1874608606 XLMGDLHVRFTQNV-BUHFOSPRSA-N 436.910 6.691 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OCc1ccc(Cl)c(Cl)c1 1874608633 YTULGHZRBGVBSS-JXMROGBWSA-N 447.745 7.131 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1cccc(C)c1 1874614133 GMHLVOXBZLFCNW-WUXMJOGZSA-N 435.907 5.571 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)ccc1OCc1ccccc1C 1874635891 YQOMLDMOFRVEAX-DTQAZKPQSA-N 442.599 7.475 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1cccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c1 1874697864 DOJZRAQJILUXEC-LFIBNONCSA-N 445.471 5.564 30 10 IKEE CCc1ccccc1OCC(=O)Oc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC 1874701422 RUSBKKVZHUPVIR-SDNWHVSQSA-N 444.527 5.755 30 10 IKEE O=C(CCCOc1ccccc1)Oc1cccc(/C=C/C(=O)c2cccc3ccccc23)c1 1874707904 COOOYSMMHBHGNU-VHEBQXMUSA-N 436.507 6.501 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc(C(C)C)cc3)ccc2OC)cc1 1874708104 MNIGOJUOSDNENC-OMCISZLKSA-N 444.527 6.333 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(F)c(F)c3)c2)c1 1874710245 YCIZKSAHTPMJEB-UXBLZVDNSA-N 438.426 5.026 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccccn2)c1 1874711519 BDTZVYCIMPGCFB-CMDGGOBGSA-N 428.271 5.512 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3ccccc3)c2)c2ccccc12 1874717862 FLJBRXXMIOXBRP-JQIJEIRASA-N 438.479 5.729 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OC(C)=O)cc3)cc2)cc1 1875129783 TYALRZUCGOUYLY-UBKPWBPPSA-N 430.456 5.126 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1Cl 1875141722 QYTBAGOHYNUODR-YRNVUSSQSA-N 438.882 5.840 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(C)c3C)cc2OC)cc1 1875166588 NZPIGUARZIQYMU-AWNIVKPZSA-N 446.499 5.445 30 10 IKEE COCCC(=O)Oc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1Br 1875183337 VXONAVYTRINMGS-FNORWQNLSA-N 431.326 5.212 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(C)c3)c(OC)c2)cc1Cl 1875186139 GGTFRJCONHAKNI-JXMROGBWSA-N 436.891 5.781 30 10 IKEE CC1(C)OB(c2cccc(OCCN(Cc3ccccc3)Cc3cccs3)c2)OC1(C)C 1915409389 BKGRGBUCBORDLU-UHFFFAOYSA-N 449.425 5.129 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](O)c1ccccc1NC(=O)OC(C)(C)C 1922057340 LAOUOYAGBKOATQ-RPWUZVMVSA-N 440.584 5.208 30 10 IKEE CC(C)(C)OC(=O)N1CCC([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)CC1 1944711241 AZWBKZGBZFXXAU-LJQANCHMSA-N 433.524 5.106 30 10 IKEE C#CCCCC[C@H](NCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2005495594 ZSPHVARCOVTSNG-JYFHCDHNSA-N 428.617 5.002 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c1 2032042455 GJNREELXPQOTJE-AOUJKTHWSA-N 441.572 5.276 30 10 IKEE COc1cc(-c2nc3ccccc3n2CC#N)ccc1OCc1ccc(Cl)cc1Cl 2060406016 XXTDHLYBJLKTMV-UHFFFAOYSA-N 438.314 6.121 30 10 IKEE CC[C@H](c1ccc(C(C)C)cc1)n1nc(C(C)(C)C)c(C#N)c1I 2079971795 MCHNAMMLWMCYNJ-QGZVFWFLSA-N 435.353 5.780 30 10 IKEE COc1ccc([C@@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C2(C)CC2)cc1F 2080113680 PEEMFXKWNFBCDH-QGZVFWFLSA-N 436.325 5.042 30 10 IKEE Oc1c2c(nc3c(-c4ccc(C(F)(F)F)cc4F)c(C(F)(F)F)nn13)CCCCC2 2081277812 YHXGHDQVHQMPKU-UHFFFAOYSA-N 433.327 5.548 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1cc2sccc2s1 2140588719 GBTWWNQIJVBRER-AWEZNQCLSA-N 449.395 6.732 30 10 IKEE CN(c1cc(Br)cc(F)c1C#N)[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2163698825 SCDZTJPLZPDCTK-REPLKXPHSA-N 428.349 5.092 30 10 IKEE C#CCC1(NC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2Br)CCCCC1 2180044885 AUMYRGTYHAIYPS-UHFFFAOYSA-N 435.362 5.252 30 10 IKEE C[C@@H](c1cc(Br)cs1)N(C)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2186595612 SHTDHHQAGOWZLT-AWEZNQCLSA-N 436.224 5.003 30 10 IKEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(Cc2cc(Cl)c(C)c(Br)c2)CC1 2201804646 FTFSIJAFWYHWFB-UHFFFAOYSA-N 440.618 5.565 30 10 IKEE CCCCCCC[C@@H](O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2229101618 FMGAFFNLTXEZOB-RBUKOAKNSA-N 428.411 5.606 30 10 IKEE C=C1CCC(CC(=O)[C@H](Cc2cccc(Br)c2)NC(=O)OC(C)(C)C)CC1 2237418807 SGZNJXQXMBOONJ-IBGZPJMESA-N 436.390 5.591 30 10 IKEE Cc1cnc(Nc2cc(Br)c(Cl)cc2C)c(B2OC(C)(C)C(C)(C)O2)c1 2241094178 ZOHHZFAJHRBFKG-UHFFFAOYSA-N 437.574 5.157 30 10 IKEE CC(C)CN(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(F)cc1Cl 2258092906 VVGPXCRPXBMQFJ-UHFFFAOYSA-N 445.771 5.077 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Br)cc(C(C)C)c1 2280709787 XUVCFEFPEXKREN-PMACEKPBSA-N 437.422 5.530 30 10 IKEE CCn1cc(C=C2Oc3cc(OC(=O)c4ccccc4F)ccc3C2=O)c2ccccc21 2296593734 UREXVPYNLFKIIK-UHFFFAOYSA-N 427.431 5.636 30 10 IKEE CCCCN(CCCC)Cc1c(O)ccc2c1OC(=Cc1cn(CC)c3ccccc13)C2=O 2296595915 WEINRUDCSGIPGT-UHFFFAOYSA-N 446.591 6.385 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2313009028 KBGQXZSQAGWLRP-QSWVLOPZSA-N 447.620 5.532 30 10 IKEE COc1cccc(C=C2Oc3cc(OCc4ccc(Cl)c(Cl)c4)ccc3C2=O)c1 2314438304 OEMKBDXBEPVPRD-UHFFFAOYSA-N 427.283 6.197 30 10 IKEE O=C1C(=Cc2c[nH]c3ccccc23)SC(=Nc2ccncc2Cl)N1c1ccccc1 2314543239 YVMCJRSBJBXZFM-UHFFFAOYSA-N 430.920 6.025 30 10 IKEE CC1(C)OB(/C=C/c2ccc(N(CCC(F)(F)F)Cc3ccccc3)nc2)OC1(C)C 2317349963 LMWJGQXLDAZCDZ-WYMLVPIESA-N 432.295 5.685 30 10 IKEE Clc1cccc(CSc2nnc(C3CC3)n2N=Cc2cccc(Br)c2)c1 2320889467 DCMARASHZZCOLY-UHFFFAOYSA-N 447.789 5.746 30 10 IKEE CCc1nnc(SCCc2ccccc2)n1N=Cc1cccc(OCc2ccccc2)c1 2321010260 QMLWQAVGOKGTPC-UHFFFAOYSA-N 442.588 5.637 30 10 IKEE O=C1C(=Cc2ccc(Cl)c(Cl)c2)Oc2c1ccc1c2CN(C2CCCCCC2)CO1 2322078807 JEINRFVBZGYOTN-UHFFFAOYSA-N 444.358 6.484 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)N[C@H](C)c2ccccc2)cc1 2322371015 BPDFGHJZKLGAGJ-HXUWFJFHSA-N 443.543 5.410 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2cc(C)ccc2C)cc1 2322391401 MJMWJLCLAZZZIO-UHFFFAOYSA-N 441.571 6.560 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc(OC)c(C)c1 2322415528 GDIQNYKODIUJLV-UHFFFAOYSA-N 443.971 5.581 30 10 IKEE Cc1ccsc1C=C1Oc2c(cc3c(c2C)OCN(Cc2nc4ccccc4[nH]2)C3)C1=O 2322416051 BHBQNZVDZMOVLE-UHFFFAOYSA-N 443.528 5.210 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Br)ccc1OCc1ccccc1C 2322477431 XTIYAKXUMWBYQT-UHFFFAOYSA-N 437.333 6.241 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC)c2OCc2ccc(F)cc2)cc1C(C)C 2322805978 HYNUIYCBHMYYBM-UHFFFAOYSA-N 448.534 6.750 30 10 IKEE COc1cccc(C=CC(=O)c2c(C)cc(C)cc2C)c1OCc1ccc([N+](=O)[O-])cc1 2322952892 ABTHFOGZXOLGSH-UHFFFAOYSA-N 431.488 6.004 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cc(Cl)cc(OC)c1OCc1ccccc1 2323022672 OLYHSOVYFOTLRX-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3cc(OC(=O)Cc4ccc(F)cc4)ccc3C2=O)cc1 2323222496 GIMONAZGBKRBAB-UHFFFAOYSA-N 430.475 5.888 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cn(C)c4ccccc24)C3=O)cc1C 2323247891 BCXHUBGRSXPQLJ-UHFFFAOYSA-N 437.495 5.939 30 10 IKEE Cc1c(OC(=O)C=Cc2ccc(Cl)cc2)ccc2c1OC(=Cc1cccc(F)c1)C2=O 2323327539 VRFOHDCGJQRXCG-UHFFFAOYSA-N 434.850 6.023 30 10 IKEE CCCOc1ccccc1C=CC(=O)Oc1cc(C)c2c(c1)OC(=Cc1cccs1)C2=O 2323342069 VLGPYLRHZRACSX-UHFFFAOYSA-N 446.524 6.080 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)C=Cc3ccc([N+](=O)[O-])cc3)cc(C)c2C1=O 2323601918 JORVDWCUMCXYBA-UHFFFAOYSA-N 441.439 5.447 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)ccc1OCc1c(Cl)cccc1Cl 2323627163 OXYAKJMTFYGPLM-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3c(C)cccc3C)c(Cl)c2)cc1 2323628259 KSAYFVHXQUFRBK-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)CCOc4ccccc4)cc(C)c3C2=O)cc1 2323687957 DMKXHNOFOKCOFZ-UHFFFAOYSA-N 428.484 5.548 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)ccc1OCc1cccc2ccccc12 2323714072 VTFWRIGANFNYOC-UHFFFAOYSA-N 438.523 6.722 30 10 IKEE Cc1cc(OC(=O)C=Cc2ccccc2)cc2c1C(=O)C(=Cc1cn(C)c3ccccc13)O2 2323744874 MVMOXYWEFYFQOL-UHFFFAOYSA-N 435.479 5.722 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1Cl)Nc1ccccc1 2323790517 NMJLXWZZELGKTP-UHFFFAOYSA-N 426.299 5.907 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1 2323921724 PRQZZQYFMUCABF-UHFFFAOYSA-N 449.934 6.042 30 10 IKEE COC(=O)COc1ccc(C=CC(=O)c2cccc3ccccc23)cc1Br 2324133035 DAVGTQPSLMUXHH-UHFFFAOYSA-N 425.278 5.050 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccco2)C3=O)cc1Cl 2324353793 LVWKGCZLISUCER-OAHLLOKOSA-N 437.879 5.572 30 10 IKEE CCc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(Cl)c(Cl)c3)n2)cc1 2324378653 UGAZMLXVRWASEU-KRWDZBQOSA-N 427.356 6.569 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OCc2cccc(C)c2)c(Cl)c1 2324534722 BDEAWRUUHFRSBZ-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE CC(=O)Nc1ccc(C(=O)COc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2325234970 KAVJCEKQWINCNB-UHFFFAOYSA-N 447.874 5.176 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(O[C@@H](C)C(=O)Nc3ccc(C#N)cc3)c2C)C1=O 2325306856 CLIBUCRADQZFJN-INIZCTEOSA-N 444.512 5.259 30 10 IKEE COc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccccc2)cc1 2325448678 YHQCQIFAPMZPDG-UHFFFAOYSA-N 428.561 5.246 30 10 IKEE Cc1c(OCCC(=O)Nc2ccccc2)ccc2c1OC(=Cc1ccccc1Cl)C2=O 2325481718 ZBRQKSUYLTXBFU-UHFFFAOYSA-N 433.891 5.672 30 10 IKEE Cc1cc(OCCN2CCCCC2)cc2c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O2 2325701835 WUTMGLCBZHXTRF-UHFFFAOYSA-N 432.347 5.783 30 10 IKEE Cc1c(OCC(=O)Nc2ccccc2C(C)C)ccc2c1OC(=Cc1cccs1)C2=O 2325726427 SHYZOQYZZFTLIE-UHFFFAOYSA-N 433.529 5.814 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1OC(=O)Cc1cc(C)ccc1C 2325729013 LZGYPEAZHRBUHM-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)c2)c(C)c1 2325736383 SLCDGXMEDRGEIO-UHFFFAOYSA-N 444.487 5.393 30 10 IKEE O=C(Cc1ccc(Cl)cc1)Oc1cccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)c1 2325737039 VNNDCUOGORFGHM-UHFFFAOYSA-N 445.729 6.691 30 10 IKEE Cc1cccc(NC(=O)COc2cc(C)c3c(c2)OC(=CC=Cc2ccccc2)C3=O)c1C 2325738295 MKPDQIYJQIREDG-UHFFFAOYSA-N 439.511 5.802 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)c1 2325743589 WOVIHPIIBCMJJP-YADHBBJMSA-N 446.930 6.262 30 10 IKEE CCSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1ccc(CC)cc1 2325883199 KQDKFSFYOXPUDT-UHFFFAOYSA-N 444.604 6.000 30 10 IKEE CCSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1ccc(C)cc1 2325883331 LGGVLDNEIMORGA-UHFFFAOYSA-N 430.577 5.746 30 10 IKEE CCCOc1ccc(C=Nn2c(CCC)nnc2SCc2ccc(Cl)cc2)cc1 2326358127 USZMVILPKUGWLO-UHFFFAOYSA-N 428.989 5.847 30 10 IKEE Oc1ccc(C=Nn2c(CCc3ccccc3Cl)nnc2SCc2ccccc2)cc1 2327956743 HRXDNHMGYYDBIA-UHFFFAOYSA-N 448.979 5.597 30 10 IKEE CCCCC1CCC(c2nnc(SCC)n2N=Cc2ccc(C(C)(C)C)cc2)CC1 2328148299 HMZDVERQLGYJEM-UHFFFAOYSA-N 426.674 7.034 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2ccccc2)n1N=Cc1ccc(F)cc1 2328556632 NBZBUQZJBUEOGI-UHFFFAOYSA-N 446.551 5.788 30 10 IKEE Oc1ccc(C=Nn2c(CCc3cccs3)nnc2SCc2ccccc2F)cc1 2329663815 VYXDABLBXVWOIR-UHFFFAOYSA-N 438.553 5.144 30 10 IKEE Fc1cccc(C=Nn2c(COc3ccccc3)nnc2SCCc2ccccc2)c1 2329919386 OHLFELKHVYANBI-UHFFFAOYSA-N 432.524 5.213 30 10 IKEE Clc1cccc(CSc2nnc(CC3CCCCC3)n2N=Cc2cccs2)c1 2330290034 JLFAEFNKULWAQA-UHFFFAOYSA-N 431.030 6.290 30 10 IKEE CCOc1cccc(C=Nn2c(Cc3cccs3)nnc2SCc2cccc(C)c2)c1 2330347305 QXZVEEJGVXWVOG-UHFFFAOYSA-N 448.617 5.812 30 10 IKEE Cc1cccc(CSc2nnc(Cc3cccs3)n2N=Cc2c[nH]c3ccccc23)c1 2330353859 SXRQVFAKAZBQEH-UHFFFAOYSA-N 443.601 5.895 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)C=Cc1ccc([N+](=O)[O-])cc1 2330583122 IOHUIPQYPQMNPK-DEOSSOPVSA-N 431.577 5.150 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1 2330651451 CFEFEWZZGRXZDT-UHFFFAOYSA-N 442.514 7.037 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2ccc[nH]2)c(Cl)c1 2330695604 APSIDJFMIRIBGQ-UHFFFAOYSA-N 428.348 5.755 30 10 IKEE O=C(COc1ccccc1)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1 2330804573 UWLXQGHLYRVTON-UHFFFAOYSA-N 427.283 5.874 30 10 IKEE CCc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCC(=O)Nc2ccc(C)cc2)cc1 2330824205 ZMGBZZYWZUJMET-UHFFFAOYSA-N 449.624 5.351 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3F)c(OC)c2)cc1C 2330880208 TXAFFPQKKSDQKF-UHFFFAOYSA-N 434.463 5.196 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)c1cccc(F)c1 2330906148 ICBNJIXCALHBQT-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1 2331018185 HBRSVPDZICUIQC-UHFFFAOYSA-N 445.471 5.564 30 10 IKEE Fc1cccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CCCC2)c1 2331084130 MFCLRIJVPJTBSI-UHFFFAOYSA-N 430.552 6.403 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Br)c1OC(=O)CC(C)C 2331343672 JJRBZTDLMBVUBZ-UHFFFAOYSA-N 449.316 5.753 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2c(F)cccc2Cl)cc1)c1ccc2c(c1)OCCO2 2331397730 YPMLDQOQJDJYCL-UHFFFAOYSA-N 438.838 5.366 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccccc3Cl)nnc2C(C)(C)C)c1O 2331398108 HYLKPQATUHSGBV-UHFFFAOYSA-N 430.961 5.118 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(Oc4ccccc4)cc3)cc2)cc1C 2331592287 PKGOCFNTHJQGLS-UHFFFAOYSA-N 448.518 7.211 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2ccncc2)cc1 2331635383 UVJVJRPXNUBQBK-UHFFFAOYSA-N 428.271 5.512 30 10 IKEE CC(C)c1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1ccc(C(F)(F)F)cc1 2331673398 NMMBIMPGOFQYBB-UHFFFAOYSA-N 447.486 5.033 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2c(F)cccc2Cl)nnc1C(C)C 2331716324 QSAFKHABZULYSB-UHFFFAOYSA-N 444.963 5.933 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3c(C)cc(C)cc3C)cc2[N+](=O)[O-])cc1 2331770370 OWXFJRKWGAYGTC-UHFFFAOYSA-N 443.499 6.198 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)C(F)(F)F)c(Cl)c2)c2ccccc12 2331866704 WRNVBFQXMYQYCJ-UHFFFAOYSA-N 434.797 5.866 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2OC)ccc1OC(=O)c1ccncc1 2331878895 QQFCEKVMOSVNQD-UHFFFAOYSA-N 437.879 5.258 30 10 IKEE Cc1ccc(-n2nnc(C#N)c2NC(=O)C=Cc2ccc(Cl)c(Cl)c2)cc1Cl 2332188826 ZHVCGJYYPLYMJG-UHFFFAOYSA-N 432.698 5.060 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NC)c1c(C)c(C)c(Br)c(C)c1C 2372280200 TXMSFDJQBOLPDV-XLIONFOSSA-N 437.422 5.250 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(I)cc2)S/C1=N\c1ccccc1 12363575 WHFMYQWZAVJVBL-MNVZFQSXSA-N 446.313 5.081 30 10 IKEE C=CCn1c(COc2ccccc2)nnc1SCCC(=O)Nc1cc(Cl)ccc1C 20291145 CGOFFVKZKMMZMH-UHFFFAOYSA-N 442.972 5.126 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C)cc2)cc1 21222292 FJBCKQDFPNVSCH-KPURRNSFSA-N 438.571 6.763 30 10 IKEE O=C1C[C@H](c2ccc3ccccc3c2)C2=C(C[C@H](c3ccc(Cl)c(Cl)c3)CC2=O)N1 21227272 ZVPPOLDBCVAWNC-RBUKOAKNSA-N 436.338 6.151 30 10 IKEE Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2sc3c(c2C#N)CCCC3)c1 27520273 ZLHMFDCVVCUHNT-GNVQSUKOSA-N 439.540 6.038 30 10 IKEE CC(C)c1ccc(/C=C2/Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc3C2=O)cc1 33812276 MDHQUPNGFBBFKP-YDZHTSKRSA-N 429.428 5.554 30 10 IKEE c1ccc([C@H]2C/C(=N/N=C3/C[C@H](c4ccccc4)Oc4ccccc43)c3ccccc3O2)cc1 34095778 YRRHIUDRTJZIPK-RJHADZQFSA-N 444.534 6.928 30 10 IKEE C/C(=N/OCc1cccc(C)c1)c1cc(-c2ccc(F)cc2)n(-c2cccc(Cl)c2)c1C 35843483 WSMKQFMANYJLSX-FSGOGVSDSA-N 446.953 7.494 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(Oc4ccccc4)cc3)cc21 38707862 JMXMFXBLAAYQSP-UHFFFAOYSA-N 442.515 5.669 30 10 IKEE C=CCc1ccccc1OCCCCn1c(Cc2ccc(Cl)cc2)nc2ccccc21 40226023 HILCFSJDTGCTNO-UHFFFAOYSA-N 430.979 6.868 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3c(ccc4c3CN([C@H](C)c3ccccc3)CO4)C2=O)c1 41654918 PGMVDLGNHQLMIU-YMKHCOABSA-N 443.499 5.233 30 10 IKEE O=C1/C(=N/N(c2ccccc2)c2ccccc2)c2ccccc2N1CCOc1ccccc1 59166139 VGZDUAMWUORVFF-ORIPQNMZSA-N 433.511 5.655 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)CNc1cccc(NC(=O)CC)c1 100096116 PMILATHYWMBNGP-UHFFFAOYSA-N 445.692 7.045 30 10 IKEE CC1(C)CC(=O)C([C@H](C2=C(O)CC(C)(C)CC2=O)c2ccccc2C(F)(F)F)C(=O)C1 100134573 QGDIRBPFEOWIRU-LJQANCHMSA-N 436.470 5.565 30 10 IKEE CCCCCCCOc1ccc2ccccc2c1[C@@H]1Nc2ccccc2C(=O)N1[C@@H](C)CC 100139535 IJVACSKBDASVJD-RBTNQOKQSA-N 444.619 7.554 30 10 IKEE CCCCCCCCCCOc1ccc(CNCc2cc(OC)c(OC)cc2Cl)cc1 100153318 AHDYWCONSMRIJD-UHFFFAOYSA-N 448.047 7.167 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2ccc(OC)c(Cl)c2)cc1 100154290 WIVARJHGTVUBED-UHFFFAOYSA-N 434.989 5.825 30 10 IKEE CCN1/C(=C2\CC/C(=C/C=C3\N(CC)c4ccccc4C3(C)C)C2=O)Sc2ccccc21 100265668 VJULNMUKIIKDRJ-QEHLMEFOSA-N 442.628 6.821 30 10 IKEE CCCCCCCCNC(=O)c1cccnc1SCC(=O)Nc1ccc(C(C)C)cc1 102771003 PKUTXLRDQXESKN-UHFFFAOYSA-N 441.641 6.026 30 10 IKEE CCCCCCCCCCOc1ccc(C2=N/C(=C/c3ccccc3OC)C(=O)O2)cc1 103299505 WHGFKJJUGKEUNJ-HIXSDJFHSA-N 435.564 6.559 30 10 IKEE O=C1C[C@@H](S/C(=N/c2ccccc2)NCc2ccccc2)C(=O)N1c1cccc(Cl)c1 105533806 NQAJVLICPMXSQS-OAQYLSRUSA-N 449.963 5.183 30 10 IKEE COc1c(Br)cc(CNc2cc(C#N)ccc2Cl)cc1Br 127761786 YIUDSEYZKYLBAF-UHFFFAOYSA-N 430.527 5.357 30 10 IKEE CC1=CC(/C=N/Nc2cccc3cccnc23)=C/C(=C/NNc2cccc3cccnc23)C1=O 137890103 ILVSAIBZGZPWBQ-UFNPGZBTSA-N 446.514 5.137 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2cccc(F)c2)cc1 169921645 SLQDDEDJEAZKFL-QHCPKHFHSA-N 443.430 5.363 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2ccc(C)c(C)c2)=C(N2CCC[C@@H](C)C2)C1=O 170000734 XNRQDVXXVZRNBN-OAQYLSRUSA-N 438.656 6.256 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2cccnc2)c1 170012694 BGPRARNXTMLHQE-AREMUKBSSA-N 448.522 5.630 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2c2ccccc2C)c1 170037305 FKYXUWZWSQWXCD-VWLOTQADSA-N 441.527 5.739 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc2ccccc12)c1ccc(Cl)cc1 170045552 XFTZKGKZUMVPEU-HSZRJFAPSA-N 443.886 5.865 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccc(Cl)cc1 170057619 RJBCHWPPSLMRME-QHCPKHFHSA-N 435.882 5.581 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2sccc2C)cc1 170107983 MUUZPDVUSPOGCO-OAQYLSRUSA-N 435.520 5.537 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(OC(C)C)cc1 170151950 XJBPRCVECAHZBT-VWLOTQADSA-N 447.575 5.731 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccs2)ccc1OC(C)C 170163603 COBFDQMVTDRUOW-JOCHJYFZSA-N 448.544 5.017 30 10 IKEE Cc1ccc(-c2nc(C3=C(N)N(c4ccc(Cl)c(Cl)c4)CC3=O)sc2C)cc1 170179330 IPNXDFDSBJAOJB-UHFFFAOYSA-N 430.360 5.450 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccncc2)cc1C 170202781 VSAPWZFMNSNMIC-XMMPIXPASA-N 442.515 5.188 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccc2)cc1C(C)C 170224024 XBOJERCCAOFSJB-RUZDIDTESA-N 441.527 5.910 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2F)ccc1OC(C)C 170250619 QQBAFYCPKSFXAW-HSZRJFAPSA-N 449.478 5.293 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(CC)cc2)cc1 170265489 CILKUVUODZHCKS-DEOSSOPVSA-N 427.500 5.431 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1ccc(CC)cc1 170268189 FRUUAVVRPKVLRX-XMMPIXPASA-N 435.564 5.805 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccccc1C 170272320 NPYNGXIFXDLCSF-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccccc1C 170278501 OSDDUVOBXIWOKX-XMMPIXPASA-N 431.576 6.122 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccco1 170282503 YAPZTWORPQEUNB-IBGZPJMESA-N 441.842 5.172 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2c2ccc(F)cc2)o1 170299592 ZRFFNTDZGWJHAI-JOCHJYFZSA-N 435.451 5.297 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2sccc2C)c1 170315418 UHLNHAUESDZFCM-NRFANRHFSA-N 449.528 5.165 30 10 IKEE COc1cccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2Cc2cccc(C(F)(F)F)c2)c1 170431521 FGRGCGJRXKLJIW-IBGZPJMESA-N 447.453 5.225 30 10 IKEE CCOc1cc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2cc(C)ccc2C)ccc1OC 170440275 IMFUECLOHRFITP-DEOSSOPVSA-N 437.536 5.226 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(F)c(F)c2)cc1 170452464 DKBWVVBMMHNUDT-HSZRJFAPSA-N 442.506 5.326 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]1c1ccc(C(C)(C)C)cc1 170467030 BRWFJKGFGABANB-DEOSSOPVSA-N 435.564 5.504 30 10 IKEE CCCCCCCCP(=O)(CCCCCCCC)CC(=O)N(CC(C)C)CC(C)C 196483737 SJUHFQJCIBUABC-UHFFFAOYSA-N 443.697 8.211 30 10 IKEE COc1cccc(/C=C2/SC(=Nc3cccc(C)c3)N(c3cccc(C)c3)C2=O)c1O 252623758 OYOOXVFUTXGTNZ-XKEFNESHSA-N 430.529 5.826 30 10 IKEE CCc1ccc(N=C2S/C(=C\c3cn(C)c4ccccc34)C(=O)N2C2CCCCC2)cc1 252628449 SQKWGNBLDPPRJC-NARSBJQYSA-N 443.616 6.677 30 10 IKEE O=C(CCN1c2ccccc2Sc2ccccc21)N1CCCSC1=Nc1ccccc1 254578163 OTXHVXJOVKUIHT-UHFFFAOYSA-N 445.613 6.333 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)ccc(Br)c1F 407415977 MYKRGZWCSWVGOW-YJBOKZPZSA-N 447.364 5.628 30 10 IKEE CCN[C@H](C#Cc1ccccc1)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 407678132 NEKJKPPRQDQPNZ-LJQANCHMSA-N 429.358 5.498 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccc(Cl)c2)c1 526488026 CHBZNXQMLMNCEM-QHCPKHFHSA-N 430.891 5.668 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2c(C)n(C)c3ccccc23)cc1 526517148 TYDJXBOUGVPMRJ-SANMLTNESA-N 449.510 5.424 30 10 IKEE CCOc1cc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccc(C)c2)ccc1OC 526518113 YHHPQXVVTHFTPD-VWLOTQADSA-N 440.499 5.331 30 10 IKEE CCc1nnc(SCc2ccccc2)n1/N=C\c1cc(Cl)c(OC(C)C)c(Cl)c1 526799456 KIPASKOEQLGDKC-MSXFZWOLSA-N 449.407 6.109 30 10 IKEE O=[N+]([O-])c1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccccc2F)cc1 526803739 KUNFANRZJZENTM-MYYYXRDXSA-N 447.495 5.091 30 10 IKEE CCCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1c[nH]c2ccccc12 526806445 WJWDNGFOFUURMQ-QRQIAZFYSA-N 445.636 6.574 30 10 IKEE CCCCCCCCCCCCC[C@H](OC)[C@H](O)[C@H](O)CCOC(=O)c1ccccc1 585667891 QYIXQJPTLUBFQX-DSNGMDLFSA-N 436.633 5.671 30 10 IKEE C=CCN(CC=C)C(=O)c1cccc(NC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1 586717069 XBXWYYDHYRFQQM-UHFFFAOYSA-N 438.742 6.105 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@](C)(C#N)Cc1ccc(Br)cc1 698403468 CFAIQDUGHJOMLD-QFIPXVFZSA-N 429.358 5.711 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1ccc(F)cc1Cl 698407722 PBYZVGUPRYHHMZ-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE CC(C)[C@H]1CC[C@@H](C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 698459209 VSRJUWUMJPSPBF-DRSNIGMVSA-N 435.406 6.545 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCCC12CCCCC2 698495208 BXFDNKBLBXFXGX-QFIPXVFZSA-N 433.390 6.587 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@H](C#N)c1cccc(F)c1Br 698836941 BZNLJIHJZYNNRW-KRWDZBQOSA-N 425.342 6.113 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)C1 698882092 BIXXEWGSPVCQFY-HJPURHCSSA-N 449.979 5.621 30 10 IKEE C[C@H]1N(Cc2ccccc2)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 698945402 NHJHOERWIIWMMT-HOYKHHGWSA-N 425.960 5.638 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@]1(C#N)CCc2cc(Br)ccc2C1 710716730 FDDYUXVISAWNOC-QHCPKHFHSA-N 441.369 5.637 30 10 IKEE C=CCOc1ccc(/C=C2\SC(=Nc3nccs3)N(C3CCCCC3)C2=O)cc1 1772733185 IBCRPDRTUOLZAN-XUAJVFRHSA-N 425.579 5.645 30 10 IKEE O=C(O)c1cccc(N=C2S/C(=C\c3c[nH]c4ccccc34)C(=O)N2C2CCCCC2)c1 1772738234 UYFRWGXXAFGOHH-NDMCFCFYSA-N 445.544 5.803 30 10 IKEE OCc1ccc(-c2c(F)c(F)c(F)c(F)c2F)c(-c2c(F)c(F)c(F)c(F)c2F)n1 1848358569 MJHCGZWTJMDPHL-UHFFFAOYSA-N 441.224 5.299 30 10 IKEE CCCCCCCCCCNc1cc(N2CCN(CC)CC2)nc(-c2ccc(C)cc2)n1 1859792475 DQZKSZDTGPJZSD-UHFFFAOYSA-N 437.676 6.147 30 10 IKEE N#Cc1c(O)nc(SCCCOc2ccc(Cl)cc2)nc1-c1cccc(Cl)c1 1860466131 HNZLCPNAIPNQGX-UHFFFAOYSA-N 432.332 5.589 30 10 IKEE O=C(/C=C/c1ccc(Cl)c(Cl)c1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 1860726351 NROGWTGNQTXSBR-JXMROGBWSA-N 446.717 6.660 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)Cc1ccc(OCCC)c(C)c1 1860984476 KGEIBZMIAXOESQ-HSZRJFAPSA-N 432.649 5.478 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)[C@H](C)CC 1861054356 FCKLOBYWBHQXSM-DYESRHJHSA-N 443.459 6.395 30 10 IKEE CCCCCCCCNC(=O)[C@H](NC(=O)CCCOc1ccccc1C)c1ccccc1 1861708764 WUNJPBQHEZFHDI-AREMUKBSSA-N 438.612 5.488 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc(O)cc2)cc1 1862390493 FIZBECKCPSPZFK-XYURVEJXSA-N 447.575 5.892 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(F)cc2F)=C(O)C(=O)N1C1CCCCCCC1 1862411183 BFDZVRIAWMNKGE-QHCPKHFHSA-N 439.502 5.964 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2cccnc2)cc1 1862414890 KXFIUYMLEKNLFJ-HSZRJFAPSA-N 448.469 5.262 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCCOC(C)C)c1 1862428919 APEBGLHAQAGZBX-OAQYLSRUSA-N 427.928 5.042 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862438135 HQWNGBXSGOPCHI-ZMZPIMSZSA-N 449.290 5.278 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862438824 RHMKYTYOWXJXQC-SFHVURJKSA-N 449.290 5.280 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccccc1Cl)c1cccc(Cl)c1 1862445827 DZJKMBANSFOGHG-HXUWFJFHSA-N 439.298 5.167 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)c1 1862478531 JGVUEPQZMCJDLB-UQBPGWFLSA-N 441.527 5.733 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C(C)C)cc1OCC 1862497236 DZFLRTQJNBPOCO-HSZRJFAPSA-N 437.536 5.088 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(C(C)C)cc1 1862503757 FAVPZXGTGHCYIJ-QHCPKHFHSA-N 439.527 5.262 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2cccc(F)c2)cc1 1862529677 IZXSBWKZMZAMND-QHCPKHFHSA-N 433.454 5.306 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 1862538707 KLNAYXJHMFDKLN-OAQYLSRUSA-N 443.465 5.789 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2ccc3c(c2)CCCN3C)cc1 1862539007 SVEIOVVBWDQAQU-XDHUDOTRSA-N 432.564 5.008 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 1862620508 UAAMYPLOZHTBJE-HSZRJFAPSA-N 449.591 5.242 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1cccc2ccccc12 1862644082 BXDMKQQECVWBHN-DEOSSOPVSA-N 447.506 5.756 30 10 IKEE O=C(C1=C(O)C(=O)N(CCOc2ccccc2)[C@@H]1c1ccccc1)c1cccc2ccccc12 1862649234 SXYJIYNQLJOWNX-AREMUKBSSA-N 449.506 5.497 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccccc2OC)=C(c2ccccc2F)C1=O 1863648093 MDTWPIOOYFYMPI-UHFFFAOYSA-N 438.543 5.065 30 10 IKEE CCCCCCCCCCn1cc(OCC2CCCCC2)c(=O)cc1CSCCO 1870276613 ZHVVXVJJNFRUQY-UHFFFAOYSA-N 437.690 6.174 30 10 IKEE C=CCn1cc(OCc2c(Cl)cccc2Cl)c(=O)cc1CN1C[C@@H](C)C[C@H](C)C1 1870602172 QMPYSGQGLZCKFO-IRXDYDNUSA-N 435.395 5.398 30 10 IKEE CCCCCCCCCCn1cc(OCCCc2ccccc2)c(=O)cc1CN(C)C 1870689603 XGNBXDYSAIOESS-UHFFFAOYSA-N 426.645 6.062 30 10 IKEE CCCCCCCOc1cn(CCc2ccccc2)c(CNc2ccc(OC)cc2)cc1=O 1870830173 GVGNXHLUPGQFLN-UHFFFAOYSA-N 448.607 6.061 30 10 IKEE C=CCn1cc(OCc2ccccc2C)c(=O)cc1CNc1cc(Cl)cc(Cl)c1 1871079568 OWOQTMWDXBSVCP-UHFFFAOYSA-N 429.347 5.841 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2)Oc2c1ccc1c2CN(CCOc2ccccc2)CO1 1871346735 UGBMQZQSNVRYDL-UCQKPKSFSA-N 433.891 5.187 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc(C)cc4)ccc3C2=O)c1 1871366610 IAJSYYQGWHVXKH-QXXZEVIWSA-N 442.467 5.247 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4cc(Cl)ccc4Cl)ccc3C2=O)cc1 1871381367 QGPMLTZPMZMMME-FBHDLOMBSA-N 441.266 5.837 30 10 IKEE COc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1cccs1)C2=O 1871412479 SOKGFKFIHRLXRM-MNAFEPAFSA-N 435.501 5.087 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccc(Cl)cc2)C3=O)c(C)c1 1871418942 VLPNTVJHAUKTKH-QRVIBDJDSA-N 447.918 5.899 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(Cl)cc4C)ccc3C2=O)c1 1871454667 QSQUUNDBWDXLNP-FMCGGJTJSA-N 433.891 5.591 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)cc1)C(C)C)S(=O)(=O)c1c(C)cc(C)cc1C 1871753865 IZYYVNIYNQTHQG-QHCPKHFHSA-N 442.625 5.150 30 10 IKEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)c(C)c1 1871888201 ODEWREAVIXYBEW-XMMPIXPASA-N 442.625 5.150 30 10 IKEE N#C[C@@H](C(=O)C(c1ccccc1)c1ccccc1)c1nc(-c2ccc3c(c2)OCO3)cs1 1872773439 NUMXLGVIEADAQX-FQEVSTJZSA-N 438.508 5.547 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(C(C)(C)C)cc3)n2)cc1F 1872775005 IKJLETLLSROBDV-BQHJZSHBSA-N 434.536 6.145 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@H](C#N)C(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)n2)c1C 1872780299 FFQWLXVMYDOXPL-GOSISDBHSA-N 448.548 5.508 30 10 IKEE COC(=O)c1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc1 1872781664 XIACRVAHQGJIFE-OSICKASQSA-N 446.528 5.112 30 10 IKEE COc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)c(OC)c1 1872786826 TVZVIOAQVMYLSZ-FHVRUZERSA-N 432.545 5.642 30 10 IKEE COc1ccc(Cl)cc1C(=O)[C@H](C#N)c1nc(-c2ccc(OC)c3ccccc23)cs1 1872788520 KBIGLMAJUVDYAY-IBGZPJMESA-N 448.931 6.124 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCCCC)=C(c2ccc(F)cc2)C1=O 1873137986 WMQIAGBWAITXGC-UHFFFAOYSA-N 430.608 6.216 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCCCC)=C(c2ccc(Cl)cc2)C1=O 1873138089 BOFCDMRYVXSVHK-UHFFFAOYSA-N 447.063 6.731 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2[C@H](C)CC)=C(c2cc(Cl)ccc2Cl)C1=O 1873390509 PPWCIBJOKXLENI-CQSZACIVSA-N 429.347 5.885 30 10 IKEE C=CCOc1ccc(-c2nonc2NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 1873439217 TYZCLQPWXQMBFE-UHFFFAOYSA-N 448.306 5.406 30 10 IKEE CCCCCCCCC(=O)Nc1nnc(-c2ccc(Oc3ccc(Cl)cc3)cc2)s1 1873459119 VBHLMPVUJAHEND-UHFFFAOYSA-N 444.000 7.340 30 10 IKEE CCCCCCCCNC(=O)[C@H]1c2ccccc2C(=O)N(CCCC)C12CCCCC2 1873886470 WPYZJTJSQZCERY-XMMPIXPASA-N 426.645 6.206 30 10 IKEE CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1cccc2ccccc12 1874244012 KGXNMMZANQCFOM-WPWMEQJKSA-N 430.621 6.184 30 10 IKEE CCCOc1ccccc1/C=N/n1c(Cc2ccc(Cl)cc2)nnc1SCCC 1874343010 ULPOCJWZFNZFIH-LFVJCYFKSA-N 428.989 5.695 30 10 IKEE CCCSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1ccc(Br)cc1 1874380688 GFABSOSMBTTXHS-LPYMAVHISA-N 433.350 5.155 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(O)c(O)c1 1874394306 JFLZUARIXWNTFH-JOBSNELWSA-N 448.523 5.155 30 10 IKEE O=[N+]([O-])c1ccccc1/C=N/n1c(CC2CCCCC2)nnc1SCCc1ccccc1 1874408278 ORTSQEVZFWSSKC-XIEYBQDHSA-N 449.580 5.526 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(SCc2cccc(F)c2)nnc1[C@@H]1CCCO1 1874447487 DAPSFYNFRCXQIY-NFCNUSAFSA-N 440.544 5.230 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C(F)(F)F)cc1 1874463745 ZKCYGJBRRLPWGM-KTZMUZOWSA-N 432.805 5.403 30 10 IKEE Fc1ccc(CSc2nnc(-c3ccco3)n2/N=C/c2ccc(Cl)c(Cl)c2)cc1 1874465359 FIJQSXCNKWHRAW-BHGWPJFGSA-N 447.322 6.159 30 10 IKEE Fc1ccc(Br)cc1/C=N/n1c(SCc2ccccc2)nnc1C1CCC1 1874495594 UJZUGRZLDYGHTQ-FSJBWODESA-N 445.361 5.622 30 10 IKEE CCCSc1nnc(COC)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874502399 GBNZFCJRZHZKOE-YDZHTSKRSA-N 430.961 5.041 30 10 IKEE CCCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1/N=C/c1ccc(CC)cc1 1874504505 QNPSQCQLNXAPSI-MFKUBSTISA-N 435.597 5.023 30 10 IKEE CCCOC(=O)COc1c(/C=C/C(=O)c2ccc(OCCC)cc2)cc(Cl)cc1OC 1874580078 XDEPNPVOYAMXLB-DHZHZOJOSA-N 446.927 5.366 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cc(Cl)ccc2OCc2c(Cl)cccc2Cl)c1 1874580386 LEHPSFHNFLVIQL-CSKARUKUSA-N 445.773 7.739 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(F)cc2)c1OCC(=O)Nc1cc(C)ccc1C 1874584351 JXJIJDJLVNQGJX-SDNWHVSQSA-N 433.479 5.365 30 10 IKEE Cc1ccccc1COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-] 1874601378 IMRHTHZVPBWTST-GZTJUZNOSA-N 449.506 7.045 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 1874607642 XPZWRANCXXUOOS-MHWRWJLKSA-N 445.515 6.421 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)c(Cl)c1 1874610275 KDOVAWOFAWFUSO-UKTHLTGXSA-N 435.907 5.571 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 1874625548 KBUFIXGLZLHYJK-AWNIVKPZSA-N 447.506 5.755 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 1874629636 MWNVSPPBEOGJQU-NKSQBSFPSA-N 443.543 5.464 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1OC(=O)[C@H](C)c1ccccc1 1874693692 RILRNQVDNWIGFV-ZRNYNZGJSA-N 440.539 6.179 30 10 IKEE C[C@H](C(=O)Oc1cccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1)c1ccccc1 1874695885 XDLKIBNMVSUFKS-ISBHARSQSA-N 425.311 6.599 30 10 IKEE COc1ccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 1874705817 BKBKLKILFAGLFI-VCHYOVAHSA-N 442.555 6.427 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2ccc(F)cc2)cc1OC(=O)C1CCC1 1874709361 CBPAXIHTJDDDOJ-JXMROGBWSA-N 433.273 5.198 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1OC(=O)c1ccccc1C 1874710458 CHJVIWUPKJPFGP-ACCUITESSA-N 428.528 6.353 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)CC2CCCCC2)c1 1874711802 IJLWROJAVAOFMJ-ZHACJKMWSA-N 447.358 6.774 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 1875085255 WVQAZTALTAMCMQ-LFIBNONCSA-N 445.471 5.564 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1 1875096324 IJJPHCWYYYTPKT-LDADJPATSA-N 436.507 6.283 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1[N+](=O)[O-])c1ccc(Cl)cc1 1875120780 KFJHGIIIKLFBIB-XLUWADSXSA-N 443.789 5.642 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc(Cl)c3)cc2OC)cc1 1875121899 MSJGUJSNOJYGHN-NTUHNPAUSA-N 436.891 5.863 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 1875140184 UQVVUALMNYMBLD-PKNBQFBNSA-N 431.444 5.336 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc(OC)c1OC(=O)C(C)(C)C 1875153474 ISVSLYORPKVVOI-PKNBQFBNSA-N 426.484 5.419 30 10 IKEE COc1ccc(C(=O)Oc2c(OC)cc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2OC)cc1 1875175450 PSPUHZZESPZKSS-NTUHNPAUSA-N 446.499 5.445 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1ccc(C)c([N+](=O)[O-])c1 1875179026 PGWHXHFBMHOJFE-YRNVUSSQSA-N 445.471 5.644 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C(C)(C)C)ccc3C)cc2)c1 1875184052 GIAPBUYFZFQEDX-GHRIWEEISA-N 442.555 6.807 30 10 IKEE CC(C)(C)OC(=O)NC1CC2(CC[C@@]2(C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 1880300391 RXJBSAXCWVCZCN-GATLKJJBSA-N 441.572 5.153 30 10 IKEE C#Cc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc(CC(=O)OC)c1C 1887520709 DIJQXNLHPXMRJF-UHFFFAOYSA-N 425.484 5.053 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cc(C(F)(F)F)ccc3C)cc21 1890512427 JKLDSRNNOLYQLW-UHFFFAOYSA-N 432.442 5.204 30 10 IKEE CCCCCCC[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H]1C(=O)O 1951575548 BZUPYQGQSWAVFG-DVECYGJZSA-N 435.564 5.929 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C)([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 2022136904 XBQPGAKJHTXWPY-JPYJTQIMSA-N 449.979 5.621 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(Cc3ccccc3)[C@H](C)C2)c1 2037524448 AXIHTUTXLNSUBH-FQRUVTKNSA-N 435.568 5.384 30 10 IKEE C=C1C[C@@H]1C[C@@H](NC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071343359 CHYFPZVBKBFXNE-SKVJQKLOSA-N 429.560 5.432 30 10 IKEE C=CCCCCCC[C@@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)NCCC 2085842390 QFTFAGNXQDJJMM-VWLOTQADSA-N 445.692 5.908 30 10 IKEE C=CCCCCCCCC[C@H](NC)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2086261690 NPMCMRKOAJJOAV-HVCNVCAESA-N 446.676 6.380 30 10 IKEE N#C[C@@H](Nc1ccc(Br)cc1)c1cc(Br)ccc1Br 2088098926 ZYRJEMOEEKDTCQ-CQSZACIVSA-N 444.952 5.651 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@H](C(C)C)N(Cc3ccccc3)C2)cc1 2090228580 XCGMUDYNSQDZAP-SQHAQQRYSA-N 449.595 5.630 30 10 IKEE C=C([C@@H](NCCC)c1ccc(I)c(Br)c1)C(C)(C)C 2096634574 VWQQLIURNLBXJI-OAHLLOKOSA-N 436.175 5.697 30 10 IKEE N#Cc1c(F)cc(Br)cc1N[C@H]1CN(Cc2ccccc2)CC2(CCC2)C1 2163687706 HCUBUWJOBBVTTL-GOSISDBHSA-N 428.349 5.317 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@H](Nc3ccc(Br)c(C#N)c3)C[C@@H]21 2166954424 FMVMNAZPRADKEZ-LJHODMEESA-N 434.378 5.301 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCCC)c2c(F)cccc2Br)C1 2183007127 XCYCQMXZMRAAKV-SFHVURJKSA-N 441.385 5.490 30 10 IKEE COc1cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(C)c2)ccc1Br 2192140071 QFBMVWGZNBBKEY-SFHVURJKSA-N 431.330 5.773 30 10 IKEE CN[C@@H](C#CP(C)(C)=O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2213345059 PFFQMICVSAIAHN-DEOSSOPVSA-N 433.488 5.689 30 10 IKEE CCCCCCCC[C@H](N)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237429463 DZYLUFGLMXWQBO-PMACEKPBSA-N 441.454 5.963 30 10 IKEE C=CCC[C@H](C)[C@@H](NCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237431595 VVVDPRVVVQDRFO-PWIZWCRZSA-N 439.438 5.465 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)CC1 2250520526 UBDMYNAFGAAWLF-DEOSSOPVSA-N 429.561 5.502 30 10 IKEE C=CCCC1([C@H](O)c2c(F)cc(C)cc2Br)CN(C(=O)OC(C)(C)C)C1 2266203256 PSOKGFHELVVQRK-QGZVFWFLSA-N 428.342 5.133 30 10 IKEE C=CC[C@]1(COc2ccc(Br)cc2[N+](=O)[O-])CCCN1C(=O)OC(C)(C)C 2287689253 XIDMCVFWUCHVLD-LJQANCHMSA-N 441.322 5.082 30 10 IKEE Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccccc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1Cl 2296348650 BINWNJFDVAGUQV-OAQYLSRUSA-N 448.862 5.183 30 10 IKEE CCCOc1ccc(C=C2SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc1OC 2297324547 QOODNLLNLFMICV-UHFFFAOYSA-N 444.556 6.293 30 10 IKEE CSc1ccc(C=CC(=O)c2ccc(C(=O)C=Cc3ccc(SC)cc3)cc2)cc1 2313532890 JKKRFIORCCRLMO-UHFFFAOYSA-N 430.594 6.923 30 10 IKEE CCCN[C@@H](C#CCSC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2314681841 GLBBGCTWWDWDCJ-KRWDZBQOSA-N 427.408 5.203 30 10 IKEE CCCN[C@H](C#CC1CCC1)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2315779646 RUIIULRKZFJXOF-SQHAQQRYSA-N 440.628 5.002 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(ccc(OCC(=O)OC(C)(C)C)c3C)C2=O)cc1 2321736630 FSHDNUSDXXRUTG-UHFFFAOYSA-N 437.536 5.178 30 10 IKEE Cc1cc(OCc2ccccc2Cl)cc2c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O2 2321762262 FKXWUUXSPQCCPW-UHFFFAOYSA-N 445.729 7.150 30 10 IKEE Sc1nnc(CCc2ccccc2Cl)n1N=Cc1cccc(Oc2ccccc2)c1 2322119804 CIAQRBPGKWAHQE-UHFFFAOYSA-N 434.952 5.680 30 10 IKEE Cc1ccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3ccc(Cl)cc3)C4)C2=O)cc1 2322305553 VDIBSQAEWMMAEF-UHFFFAOYSA-N 431.919 5.925 30 10 IKEE Cc1c(OC(=O)c2ccccc2)ccc2c1OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2322660120 KHABHDZOZLCETE-UHFFFAOYSA-N 432.475 6.497 30 10 IKEE COc1cccc(C=CC(=O)c2ccc3c(c2)OCCO3)c1OCc1ccccc1Cl 2322681039 YWFPOTLQXSWDMI-UHFFFAOYSA-N 436.891 5.595 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccccc1OCC(=O)NC1CCCCC1 2322766950 FOWOGZXQONISLN-UHFFFAOYSA-N 449.591 5.717 30 10 IKEE Cc1c(OC(=O)c2cc3cc(Cl)ccc3o2)ccc2c1OC(=Cc1ccncc1)C2=O 2322846726 KHLHURLREBEJFJ-UHFFFAOYSA-N 431.831 5.625 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)C=Cc4ccc(F)cc4)ccc3C2=O)c(OC)c1 2323044072 LIGBCXPSXJPEIE-UHFFFAOYSA-N 446.430 5.078 30 10 IKEE COc1ccc(CCC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2)C3=O)cc1OC 2323097732 DGSBJNPSGIUCFE-UHFFFAOYSA-N 444.483 5.167 30 10 IKEE O=C(C=Cc1ccco1)Oc1ccc2c(c1)OC(=Cc1cccc(Br)c1)C2=O 2323157778 MYCNDBMMJCCQBY-UHFFFAOYSA-N 437.245 5.277 30 10 IKEE Cc1c(OC(=O)Cc2cc(Cl)ccc2Cl)ccc2c1OC(=Cc1ccco1)C2=O 2323404218 KEEZKXRUDHNMPD-UHFFFAOYSA-N 429.255 5.659 30 10 IKEE Cc1cc(OC(=O)c2ccc3nc(C)c(C)nc3c2)cc2c1C(=O)C(=Cc1ccccc1)O2 2323556860 YUPFQJOEAYOBBG-UHFFFAOYSA-N 436.467 5.390 30 10 IKEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1c(F)cccc1Cl 2323692092 CGVXAOFNGNKJQG-UHFFFAOYSA-N 441.842 5.871 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)cc1 2323832038 CNOJFJUGMBCIDR-UHFFFAOYSA-N 449.934 5.961 30 10 IKEE COc1cccc(C=NNc2nc(-c3ccc(C)cc3)cs2)c1OCc1cccc(C)c1 2323844488 UJZXTCGYTLYDGX-UHFFFAOYSA-N 443.572 6.461 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(OC)c2)C3=O)c1 2323858055 YFIJBOPKFOBTQF-UHFFFAOYSA-N 442.467 5.404 30 10 IKEE Cc1c(OCCCOc2ccccc2)ccc2c1OC(=Cc1ccc3c(c1)OCO3)C2=O 2324234557 JVGXHEHTKNNGDG-UHFFFAOYSA-N 430.456 5.188 30 10 IKEE Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2cccc(F)c2)C3=O)c(C)c1 2324331548 HEBHLTJASUWVPC-GOSISDBHSA-N 445.490 5.773 30 10 IKEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3cc(Cl)cc(C)c3OC)cc2)o1 2324522593 PMXSQRHPWXQNCY-UHFFFAOYSA-N 440.879 5.512 30 10 IKEE CCc1ccc(NC(=O)[C@H](CC)Oc2ccc3c(c2C)OC(=Cc2ccco2)C3=O)cc1 2324816898 SYNTUXOVAZOHBM-NRFANRHFSA-N 431.488 5.563 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCCOc3ccccc3F)cc(C)c2C1=O 2324857869 QPNVOPXFKKDWOM-UHFFFAOYSA-N 434.463 5.607 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1cc(C)c2c(c1)OC(=Cc1ccccc1F)C2=O 2325092797 OQFNWGRUNFETQS-NRFANRHFSA-N 440.511 6.031 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1C)OC(=Cc1cccc(F)c1)C2=O 2325142145 PFCLLPCLUWBDHF-SFHVURJKSA-N 445.490 5.773 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1N=Cc1c(OC)ccc2ccccc12 2325554525 KCHYUCFFKZPNIY-UHFFFAOYSA-N 434.540 5.706 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4Cl)ccc3C2=O)cc1 2325717717 ZMTCKAYRUGBDID-UHFFFAOYSA-N 449.890 5.372 30 10 IKEE Cc1cc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc(F)c(F)c3)c2)ccc1Cl 2325753515 GGUNTOLBPFTZKP-UHFFFAOYSA-N 442.845 5.807 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2cccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)c2)cc1 2325756859 QUEKYGATDIQZJG-UHFFFAOYSA-N 442.511 5.961 30 10 IKEE CCCSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1cccs1 2325884163 BEUIRRFDRMWJKX-UHFFFAOYSA-N 436.606 5.889 30 10 IKEE CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1ccccc1F 2325904421 OFPSHIZAPBKRHH-UHFFFAOYSA-N 426.561 5.596 30 10 IKEE CCCOc1ccc(C=Nn2c(CC)nnc2SCc2ccc(Cl)cc2)cc1Cl 2326352710 SZFKWIFCTOJBMI-UHFFFAOYSA-N 449.407 6.111 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1ccc(N(CC)CC)cc1 2326446242 JUTFEUXOAKBYJQ-UHFFFAOYSA-N 449.668 6.258 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1ccccc1OCCC 2326458337 YYBBNBBUAMMGSG-UHFFFAOYSA-N 436.625 6.201 30 10 IKEE CCCOc1ccc(C=Nn2c(COc3ccc(OCC)cc3)nnc2SCC)cc1 2326660325 RMLBJPFFERPGOR-UHFFFAOYSA-N 440.569 5.039 30 10 IKEE C=CCSc1nnc(COc2ccccc2OCC)n1N=Cc1ccccc1Cl 2326846339 XCBHKNIYOZLVKM-UHFFFAOYSA-N 428.945 5.070 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccc(C)c(C)c3)n2N=Cc2ccco2)cc1 2328922132 FJKSROCENGJKAT-UHFFFAOYSA-N 430.577 5.756 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccccc1OC(C)C 2329100534 JTBLNWQBVRCBDV-UHFFFAOYSA-N 441.000 5.860 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2)n1N=Cc1c(Cl)cccc1Cl 2330193609 KOXRLVQRNKXTIO-UHFFFAOYSA-N 431.392 5.921 30 10 IKEE Oc1cccc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccccc2Cl)c1 2330275663 QRKTZXNVVKTMHK-UHFFFAOYSA-N 441.000 5.934 30 10 IKEE C(=Nn1c(Cc2cccs2)nnc1SCc1cccc2ccccc12)c1ccncc1 2330422120 UELOTCRGTVPQBA-UHFFFAOYSA-N 441.585 5.653 30 10 IKEE Cn1cccc1C=Nn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1cccs1 2330607485 DNCLIFSZDQPHOC-UHFFFAOYSA-N 448.404 5.826 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4ccccc4c3)cc2)cc1OC 2330651467 DFHFOPDPSXZRDJ-UHFFFAOYSA-N 438.479 5.972 30 10 IKEE CN(C)c1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2-c2ccccc2)cc1 2330684798 HVDQDCDIKYNFGB-UHFFFAOYSA-N 447.995 5.839 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3ccccc3C)c(OC)c2)c1 2330777876 BDMPUNAGKXDEIS-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(CC(C)(C)C)n2N=Cc2ccccc2)cc1 2330821213 YNGDKJFPCMURBD-UHFFFAOYSA-N 435.597 5.042 30 10 IKEE CCCOc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccccc2F)cc1 2330844935 XEOACPQJJGUOGP-UHFFFAOYSA-N 440.588 5.969 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)c1ccncc1 2331084187 VLXHXJYKKBDOIB-UHFFFAOYSA-N 429.806 5.137 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OC(=O)c1ccccc1Cl 2331100972 IHDKHOWDMNYCAL-UHFFFAOYSA-N 442.845 6.132 30 10 IKEE Cc1ccccc1CCC(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1Cl 2331143905 HDZFCWFBXCJVQE-UHFFFAOYSA-N 439.338 6.736 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccco2)n1N=Cc1cn(C)c2ccccc12 2331174171 GOTAIBIHKJJTTB-UHFFFAOYSA-N 427.533 5.513 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 2331245499 SJPLEWDNDVQRLW-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(OC)c(OC)c1 2331281679 DLYDXAJFGSJKLU-UHFFFAOYSA-N 446.499 5.526 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2cccc(F)c2)c([N+](=O)[O-])c1 2331362629 BISFECSJYNJLPJ-UHFFFAOYSA-N 435.407 5.166 30 10 IKEE Cc1cccc(CSc2nnc(CC(C)C)n2N=Cc2ccc(C(F)(F)F)cc2)c1 2331440190 MQOXUXFVYQBKFL-UHFFFAOYSA-N 432.515 5.978 30 10 IKEE CC(C)Cc1nnc(SCc2cccc(F)c2)n1N=Cc1cccc(Br)c1 2331443296 JCYJQVVYXIIXPB-UHFFFAOYSA-N 447.377 5.553 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(F)c2)cc(Cl)c1OC(=O)C(F)(F)F 2331459073 IPPZYMXXXUMKPP-UHFFFAOYSA-N 446.780 5.250 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2C2CCC2)cc1 2331498048 BTFIYBRBQYWVJP-UHFFFAOYSA-N 434.609 6.207 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)[C@H](C)c1ccccc1 2331539692 KOMPYGYMKXEYDZ-LJQANCHMSA-N 444.502 6.168 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc1 2331571803 RIJJBKSEEHTHHK-UHFFFAOYSA-N 444.527 6.251 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)c(C)c1C 2331612407 RMJHYXBQCSCSPQ-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OC(=O)COc3ccccc3)c(Cl)c2)c1C 2331646617 LFMYGDKNRGVORF-UHFFFAOYSA-N 448.946 6.454 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C2CC2)cc1 2331735273 BWITUGLXYJFBSL-UHFFFAOYSA-N 437.525 5.027 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OC(=O)[C@@H](C)c2ccccc2)cc1 2331741444 XDFAHRWRLSDUBG-SFHVURJKSA-N 434.919 6.262 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OC 2331762833 VFDRLVODGRHXSY-UHFFFAOYSA-N 442.983 7.046 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(OCC(C)C)cc3)cc2)c(C)c1 2331764366 JCRMEJCRAAUXCE-UHFFFAOYSA-N 442.555 6.762 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3F)cc2)cc1Cl 2331818732 IZEWLFJBEDQKGR-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)ccc1OC(=O)c1cccnc1 2331869898 LBNVQKIQZFSVHT-UHFFFAOYSA-N 439.467 5.367 30 10 IKEE CC1(C)OB(C=Cc2ccc(NCC3(CCOCc4ccccc4)CC3)nc2)OC1(C)C 2339575453 WZQVTWMHPSKHTJ-UHFFFAOYSA-N 434.389 5.525 30 10 IKEE CC1(C)OB(C=Cc2ccc(Oc3cccc(I)c3)nc2)OC1(C)C 2339597666 YXQICQAHLAEKLZ-UHFFFAOYSA-N 449.097 5.123 30 10 IKEE C[C@@H]1CN(Cc2ccccc2)C[C@]1(C)CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2365115192 HDRZGRKEGBKAGN-ZBLYBZFDSA-N 447.432 5.296 30 10 IKEE CCCc1ccc(OCC(=O)Nc2sc3c(c2C#N)CCCC3)c(Br)c1 1984309 HUAYSBVWZCGXSD-UHFFFAOYSA-N 433.371 5.231 30 10 IKEE CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccccc2C#N)cc1 9966168 PCNZTYBUXPZBBM-UHFFFAOYSA-N 426.545 5.421 30 10 IKEE C/C(=N\Nc1nc(SCc2nc3ccc(C)cc3[nH]2)n[nH]1)c1ccc2ccccc2c1 21082239 DUILRJODOHADDT-JFLMPSFJSA-N 427.537 5.271 30 10 IKEE CC(C)(C)c1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(C(C)(C)C)cc2)C3)cc1 21234325 CFMRBVOUGVLRKP-OFNKIYASSA-N 429.604 6.286 30 10 IKEE C=CCn1c(SCC(=O)N[C@H](C)c2ccc(C)c(C)c2)nnc1-c1ccc(Cl)cc1 29829590 XMXPGJBXBNRBGZ-QGZVFWFLSA-N 441.000 5.371 30 10 IKEE O=C(/C=C/c1ccccc1[N+](=O)[O-])Oc1ccccc1/C=C\C(=O)c1cc2ccccc2o1 33376028 LFWRPHQHEBULBX-VCFJNTAESA-N 439.423 5.856 30 10 IKEE COc1cccc(/C=C\C(=O)c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)c1OC 33444964 OIGYMLUMOQCISE-QINSGFPZSA-N 443.930 6.777 30 10 IKEE C/C(=C1/S/C(=N/c2nc(-c3ccccc3)cs2)N(C)C1=O)c1ccc([N+](=O)[O-])cc1 39865745 XHEVNKOUKNESNB-ZIARRYFKSA-N 436.518 5.342 30 10 IKEE Cc1c(C(=O)Nc2ccc(F)cc2)oc2c1/C(=N/Nc1cccc(C(F)(F)F)c1)CCC2 40824054 VJSMIUISQRWMJJ-UXHLAJHPSA-N 445.416 6.151 30 10 IKEE C=C(C)COc1ccccc1NC(=O)CNc1cccc(OCCOc2ccccc2)c1 66063274 LRJSKPKRKQGDSF-UHFFFAOYSA-N 432.520 5.150 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)CNc1ccc(NC(C)=O)cc1 100054768 IZZWWTMDJHBAIY-UHFFFAOYSA-N 431.665 6.654 30 10 IKEE CCCCCCCCCCCCCCCCCCn1c([C@H](C)O)nc2cc(C)c(C)cc21 102247451 WCTDWNZTCIRBSE-SANMLTNESA-N 442.732 8.968 30 10 IKEE O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](c2ccccc2)/C1=C(/O)c1ccc(F)cc1 102609359 NBJGHJSMIDKCJL-LCPUNJGISA-N 441.380 5.471 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2cc(C)cc(C)c2)cc1 169922439 LZPBVUXPHAXWFN-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2cccc(C)c2)cc1 169922881 FNCFUYOKKCOZAT-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2cccc(C)c2C)c1 169933839 YJIHSRGWZWPYRQ-RUZDIDTESA-N 441.527 5.712 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccc(O)cc2)c(C)c1 169962842 ZPYFKVUHRUYXSB-DEOSSOPVSA-N 443.499 5.109 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccc(C)c2)cc1 169968996 OEDOYLFSHXCLTG-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2cccs2)cc1 169984895 BQQZTDHPLWMPBW-JOCHJYFZSA-N 444.512 5.411 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@@H]1c1cccs1)c1cccc(Cl)c1 169986151 MKVGLYUFSBKHNB-JOCHJYFZSA-N 445.927 6.338 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@H]1c1ccco1)c1cccc(Cl)c1 170092529 WEKKJVYRJGVRRZ-SFHVURJKSA-N 432.234 5.508 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccco1)c1ccc(F)cc1 170093934 GATMPSUMAMHFHQ-GOSISDBHSA-N 431.341 5.220 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C2CCCC2)c1 170121453 WTXKAIXLMQECBM-XMMPIXPASA-N 427.500 5.369 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccccn2)cc1C 170173723 RRALZGPWMQYFMM-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@H]1c1ccccc1 170225944 NLXWNNWSZYEJSW-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccc(F)cc1)c1cccc(Cl)c1 170238238 FQNPMKBEUIBJMT-FQEVSTJZSA-N 425.818 5.401 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccc(O)c2)c1 170258060 HCJVDTLBZBEFGZ-QHCPKHFHSA-N 447.462 5.101 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@@H]1c1cn(C)c2ccccc12 170269344 WZQGZVGAWKMGOD-DEOSSOPVSA-N 446.547 5.264 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2C)c1 170271072 BIMPRKKCVPTLDM-HSZRJFAPSA-N 431.463 5.316 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cccc3ccccc23)[C@H]1c1ccco1 170287123 MBXMZAZPOCWEJR-QHCPKHFHSA-N 425.440 5.224 30 10 IKEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@H]1c1ccco1)c1ccc2ccccc2c1 170297499 OKWSGBXQPCLMPC-QFIPXVFZSA-N 435.439 5.092 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2ccc(C)o2)c(C)c1 170304955 HYZUDMSSVFNAMT-XMMPIXPASA-N 443.499 5.313 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1sccc1C 170314441 IUXVHEGWVHHWKC-FQEVSTJZSA-N 437.492 5.296 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cccc(OCC(C)C)c2)cc1 170366004 OKQUJPHTBCBFJU-HSZRJFAPSA-N 447.556 5.874 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1ccc(OCC(C)C)cc1 170396870 CQQDBZXSVJVOIH-RUZDIDTESA-N 441.527 5.813 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccc(OC(C)(C)C)cc2)c1 170458245 CSSGUTZBBXIPEQ-QHCPKHFHSA-N 445.515 5.544 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2Cc2ccc(OCC(C)C)cc2)c1 170461400 RCZWKESHUBWMOZ-HSZRJFAPSA-N 435.564 5.541 30 10 IKEE N#Cc1ccc(Nc2cc(Br)ccc2Br)cc1Br 228180699 DHCXMLZDRVQYTJ-UHFFFAOYSA-N 430.925 5.589 30 10 IKEE N#Cc1sc(-c2cc(Br)sc2Br)c(-c2cccs2)c1N 236354861 CFSDFVDSQMHVON-UHFFFAOYSA-N 446.214 6.184 30 10 IKEE C=CCOc1ccccc1-c1cc(NC[C@@H]2CCCO2)nc(-c2ccc(O)c(OC)c2)c1 248122295 BRRQXGHWLJFRQM-FQEVSTJZSA-N 432.520 5.286 30 10 IKEE C[C@@H](NC(=O)CSc1nc2ccc(N=Cc3ccc(F)cc3)cc2s1)c1ccccc1 252597736 CUNJYZJOJJYKJT-MRXNPFEDSA-N 449.576 6.156 30 10 IKEE CCCN1C(=O)/C(=C\c2c(OCC)ccc3ccccc23)SC1=Nc1ccc(C)cc1 252600415 DQXVIDBRVRIHAD-DNKROPNVSA-N 430.573 6.561 30 10 IKEE O=C(ON=C1CCCc2c1[nH]c1ccc(C3CCCCC3)cc21)c1ccc([N+](=O)[O-])cc1 252613899 JEJISTTXHDGUTC-UHFFFAOYSA-N 431.492 6.021 30 10 IKEE COc1cc(/C=C2\SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc([N+](=O)[O-])c1O 254522019 CECVDZCKHKDGTD-KWKLDLJFSA-N 447.472 5.118 30 10 IKEE N#Cc1c(-c2ccccc2)c(-c2ccccc2)n(Cc2ccccc2)c1N=CN1CCOCC1 254523971 JCQBVOJAZNDGLZ-UHFFFAOYSA-N 446.554 5.734 30 10 IKEE COc1ccc(-c2oc(N=C/C(C)=C\c3ccccc3)c(C#N)c2-c2ccc(OC)cc2)cc1 263628418 QEHAEJLYBIUBNS-KOXVCHRDSA-N 448.522 7.308 30 10 IKEE C=CCCCCC[C@H](NCCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 406580912 VYCSWPBYBIWNIB-FQEVSTJZSA-N 439.438 6.973 30 10 IKEE COC(=O)c1ccc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526606916 QBCZMPNPPCYMQU-QFIPXVFZSA-N 444.874 5.055 30 10 IKEE Cc1ccc(SC2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(F)c(F)c3)C2=O)cc1 526662744 JWQMGOCNECZYPF-UHFFFAOYSA-N 447.466 5.134 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)cc1O 526745037 WVVFIOGUDNGMRR-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE CCCCOc1ccc(/C=N\n2cnnc2SCc2ccc(F)cc2)cc1OCC 526801636 YDJCJYQWKKGMPG-QFEZKATASA-N 428.533 5.169 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1ccc(O)c(OCC)c1 526811751 RJHIJJZOBSWEEH-MYYYXRDXSA-N 438.597 5.516 30 10 IKEE C=CCCN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(CCCCCC)cc1 586233421 MUGOHDUQTRGPIA-UHFFFAOYSA-N 431.598 5.598 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@@H](C#N)c1cc(Br)ccc1Cl 698831579 NYFJDEHLLBLKTH-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE COc1cccc(OC)c1C(=O)Nc1cccc(N=Cc2cc(Cl)cc(Cl)c2O)n1 1088677609 ASCRBGDWNAKLNN-UHFFFAOYSA-N 446.290 5.114 30 10 IKEE CC(C)n1c(O)nc2ccc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)cc21 1291640402 FAKUOZBPOKLRRU-UHFFFAOYSA-N 440.503 5.220 30 10 IKEE O=C(ON1C(=O)c2ccccc2C1=O)c1ccc(Oc2cc(Cl)ccc2Cl)cc1 1772792056 GENZGNRRTODTFA-UHFFFAOYSA-N 428.227 5.154 30 10 IKEE Fc1ccc(-n2cc(/C=N\NC(=S)Nc3ccccc3)c(-c3ccccc3)n2)cc1Cl 1857808209 VGZOJYMGDSOZCF-WGARJPEWSA-N 449.942 5.652 30 10 IKEE N#Cc1c(NC(=O)c2c(O)nnc(-c3ccccc3)c2-c2ccccc2)oc2c1CCCC2 1859491286 UHGUVTGCRWGNSO-UHFFFAOYSA-N 436.471 5.112 30 10 IKEE CC[C@H](C)N(C(=O)/C=C/c1cccc(F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1859899090 FWARWOSOBBMECD-GWJCSSMESA-N 433.367 6.708 30 10 IKEE CCCCCCCCNC(=O)[C@H](NC(=O)c1ccccc1Br)[C@@H](C)CC 1861025176 JGVHGJLGZCRFCT-QFBILLFUSA-N 425.411 5.070 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)/C=C/c1ccc(OC)c(OC)c1 1861073277 ZBNUCQATTYNSNT-RAJCYROYSA-N 446.632 5.259 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccccc1C 1862383303 SZRWTMAZMXVWRB-HXUWFJFHSA-N 448.346 5.307 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1cccc([N+](=O)[O-])c1 1862383835 NQIWZRHHMWTBTK-BBATYDOGSA-N 449.290 5.278 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccc2C)cc1C 1862401060 SNTMTAQXMIDLLO-DEOSSOPVSA-N 445.490 5.230 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C 1862406255 ZIOBZJMOXTXUQE-QHCPKHFHSA-N 435.564 5.535 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(F)cc1 1862413733 KAOXXILGJIMLOZ-JLCFBVMHSA-N 437.417 5.443 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(Cl)cc1Cl 1862416591 QGRAAJWLJPGVSS-GOSISDBHSA-N 440.273 5.650 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1F 1862443410 PEXKSCMMEXTOOJ-NRFANRHFSA-N 445.918 5.264 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1cccc2ccccc12 1862460048 HFSZRHRNSBAPCF-XMHCIUCPSA-N 439.433 5.634 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc(C)c2)cc1 1862475991 YSZMKGYAVSZFFR-VWLOTQADSA-N 425.528 5.433 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2c(Cl)cccc2Cl)cc1 1862481302 BLOYXRILBNRARZ-FQEVSTJZSA-N 448.346 5.305 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 1862518263 GAWXPRPSNPPQPV-KOSHJBKYSA-N 449.591 6.150 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1cccc(Cl)c1 1862535181 BJJOYMLARDGCHS-QFIPXVFZSA-N 425.956 6.061 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccccc2)c1 1862544070 VWSJJLGWIAXDAC-AREMUKBSSA-N 437.539 5.652 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)cc1 1862616565 ULAXKHSUYAAFCV-DEOSSOPVSA-N 425.528 5.763 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 1862675153 CRCWFADCLKJHNU-OAQYLSRUSA-N 439.845 5.397 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cc(Cl)cc(Cl)c1)c1ccc(F)cc1 1862679681 JZFSHXJZRNLONR-LJQANCHMSA-N 434.294 5.653 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(OC)c(OC)c1 1862717055 VMONEUMLTFCBFM-VOIUYBSRSA-N 445.515 5.234 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CC)cc1OCC 1862719949 UHWBTYVBQSLYQN-XMMPIXPASA-N 445.515 5.235 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2C2CCCCCC2)c1 1862736346 INSXMOZHTKAXMR-JOCHJYFZSA-N 434.492 5.204 30 10 IKEE N#Cc1cccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3cccc4ccccc34)C2=O)c1 1862794178 AHDNEGWQVLXDSL-UHFFFAOYSA-N 449.897 5.761 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Br)c(C)c2)=C(c2cccc3ccccc23)C1=O 1863226219 KNCKWLHSEPOSRH-UHFFFAOYSA-N 447.332 5.289 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(C)cc(C)c2)=C(c2ccccc2OC)C1=O 1863422519 CGGRXRRMCADUQX-UHFFFAOYSA-N 434.580 5.865 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(C)cc2)C(=O)N(Cc2cccc(C)c2)C1=O 1863623213 RYUCRLNQDMTFEB-UHFFFAOYSA-N 446.635 6.314 30 10 IKEE CCCCCCCCN1C(=O)C(NCCc2ccccc2)=C(c2ccc(F)cc2F)C1=O 1863661267 JYHPAQMEYKQYSZ-UHFFFAOYSA-N 440.534 5.238 30 10 IKEE Cc1ccc(N(C(=O)c2cccc(C#N)c2)C2CCN(Cc3ccccc3)CC2)cc1Cl 1865853384 RCSLFPJPXVWMSI-UHFFFAOYSA-N 443.978 5.832 30 10 IKEE N#Cc1nnn(-c2ccc(Oc3ccccc3)cc2)c1NC(=O)Cc1cccc2ccccc12 1870151647 DLBVBWJVHHUBDZ-UHFFFAOYSA-N 445.482 5.266 30 10 IKEE CCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCc2ccccc2C1 1870349206 FDTRWGONLOJWLN-UHFFFAOYSA-N 441.575 5.047 30 10 IKEE CCCCCCCCn1cc(OCC2CCCCC2)c(=O)cc1CN1C[C@H](C)O[C@H](C)C1 1870483388 PXFISKRJFGQNPK-ZRZAMGCNSA-N 446.676 5.777 30 10 IKEE CCCCCCCCn1cc(OC)c(=O)cc1CNc1ccc(N(CC)CC)cc1C 1870997542 RNTCKPXUVSZIJF-UHFFFAOYSA-N 427.633 5.984 30 10 IKEE C#CCOc1cn(CCCCCCCC)c(CNc2ccc(OC)c(Cl)c2)cc1=O 1871007159 PDKPFWLEFKARLV-UHFFFAOYSA-N 430.976 5.495 30 10 IKEE C#CCOc1cn(Cc2ccc(Cl)cc2)c(CNc2ccc(C(C)(C)C)cc2)cc1=O 1871010806 SZGMSSUDCLYKBD-UHFFFAOYSA-N 434.967 5.472 30 10 IKEE CCn1cc(/C=C2\Oc3c(ccc4c3CN(CCCOC(C)C)CO4)C2=O)c2ccccc21 1871346165 KGQAWGRQXZJRNN-QFEZKATASA-N 446.547 5.244 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN([C@@H]2CCCC[C@H]2C)C3)C1=O 1871356185 YTTICJALBRWRHW-KINXUWBGSA-N 433.548 5.741 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OC(=O)CCCOc3ccccc3)c2C)C1=O 1871371260 MXMLVPOGAZIQJM-ULJHMMPZSA-N 428.484 5.684 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc2c(c1C)O/C(=C\c1sccc1C)C2=O 1871371534 VWENEZPLNHARMI-JCMHNJIXSA-N 448.540 6.054 30 10 IKEE CCCOc1ccccc1/C=C/C(=O)Oc1ccc2c(c1)O/C(=C\c1cccc(C)c1)C2=O 1871376178 XJVOKSHKSGBIMU-DSAQXUNYSA-N 440.495 6.019 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1 1871387487 XSBGCMKWQYMFOR-XYGWBWBKSA-N 442.511 6.353 30 10 IKEE Cc1cc(O)c(CN2CCC[C@H](C)C2)c2c1C(=O)/C(=C/c1ccc(Cl)c(Cl)c1)O2 1871396411 DQSHWDMLJJRFHY-NLLJVSSUSA-N 432.347 5.856 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1C)C2=O 1871402866 OFPGFHMSTGSUCU-QETRNLNESA-N 441.527 5.888 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OCc3ccc(C(=O)OC(C)C)cc3)cc(C)c2C1=O 1871413988 HFAGUDHRPQFHSD-XKZIYDEJSA-N 448.540 6.125 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc(OCc3cc(C)c(C)cc3C)c2C)C1=O 1871417343 JORCVQQPAMXCDK-YSMPRRRNSA-N 428.528 6.514 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)c(Cl)c1 1871436021 KFFOXFBJOQIDCP-ABVWVXPPSA-N 445.902 5.838 30 10 IKEE CCOC(=O)c1ccc(COc2cc(C)c3c(c2)O/C(=C\c2ccccc2OCC)C3=O)o1 1871439293 RDYYKYFRLLMZPS-QRVIBDJDSA-N 448.471 5.359 30 10 IKEE CCc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871454147 IVGRYMKCLMZXLZ-BDUSHXLBSA-N 439.511 5.747 30 10 IKEE Cc1cc(C)c(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2F)C3=O)c(C)c1 1871458124 AMBHVNVIXQSFGA-QRVIBDJDSA-N 445.490 5.693 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C)c(C)c4)cc(C)c3C2=O)c1 1871458639 DXQRBSABSHBSFC-CFRMEGHHSA-N 427.500 5.554 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OCC(=O)Nc3cccc(C)c3C)cc(C)c2C1=O 1871459673 WZVZTZUOGTZTOT-MTJSOVHGSA-N 433.529 5.615 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(Cl)cc2)[nH]c(N2CCC(C)CC2)n1 1871524095 QJHXTTOMBBRWMF-UHFFFAOYSA-N 431.028 5.699 30 10 IKEE CCOc1ccc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1OC 1872764243 IHFBZBXGZIGRTB-LJQANCHMSA-N 436.533 5.035 30 10 IKEE CCOC(=O)Oc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc1 1872774970 HNAJYWUJBWIQGL-HXUWFJFHSA-N 434.517 5.959 30 10 IKEE CCCCC1CCC(C(=O)[C@H](C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)CC1 1872788149 FCGSPGXWVQGSKQ-RJYAGPCLSA-N 431.001 6.645 30 10 IKEE CCCCCCCCN1C(=O)C(NCCOc2ccccc2)=C(c2ccccc2C)C1=O 1873099068 MLMIIQWQJAZDKS-UHFFFAOYSA-N 434.580 5.104 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(Cl)cc2Cl)=C(c2ccccc2)C1=O 1873413516 GUSXFDQAFVGOGO-UHFFFAOYSA-N 445.390 6.546 30 10 IKEE COc1cc(/C=N/Nc2ccc(Cl)c(Cl)c2)ccc1OCc1cccc(Cl)c1 1873499054 ZWICBQHQSSWFBS-BRJLIKDPSA-N 435.738 6.680 30 10 IKEE C=CCNC(=O)c1ccc(Cn2c(Cc3cccc4ccccc34)nc3ccccc32)cc1 1873508278 GNXZYTVEJUTNMZ-UHFFFAOYSA-N 431.539 5.744 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc2c(NCCC)ncnc21 1873601106 IRJWCRNSYXUOFU-UHFFFAOYSA-N 427.508 5.484 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C)c2C)cc2c(NCc3ccccc3Cl)ncnc21 1873606533 WCXROMZVRGWWCQ-UHFFFAOYSA-N 445.954 5.752 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3)n2/N=C/c2cccnc2)cc1C 1874330668 YPMKONXIVTXPQX-WPWMEQJKSA-N 427.577 5.250 30 10 IKEE CCCSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1cc(Cl)ccc1O 1874331689 ZUMYTQIVHQRHIL-ZVHZXABRSA-N 428.989 5.423 30 10 IKEE Fc1cccc(/C=N/n2c(COCc3ccccc3)nnc2SCc2ccccc2)c1 1874355654 UXGNBDAXRIGSIK-CVKSISIWSA-N 432.524 5.309 30 10 IKEE CSc1nnc(CCc2ccccc2C)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874360144 QNCRHSDFKUNMQC-OVVQPSECSA-N 442.588 5.555 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2cccs2)n1/N=C/c1cccc(Cl)c1 1874410575 AMNRLTBZEUMWOP-ZVHZXABRSA-N 439.009 6.067 30 10 IKEE CSc1nnc(Cc2ccccc2)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874414664 DDZPNUCPNBEDTC-WGOQTCKBSA-N 448.979 5.705 30 10 IKEE Oc1ccccc1/C=N/n1c(Cc2ccccc2)nnc1SCc1cccc(Cl)c1 1874419657 XRLZWPHAMLISHN-MFKUBSTISA-N 434.952 5.402 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(SCc2ccccc2)nnc1-c1cccs1 1874422382 IZVAYZCKMRMQGE-BUVRLJJBSA-N 434.590 5.968 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)(C)C)n2/N=C/c2ccc(C(=O)O)cc2)c1 1874438597 IZVGYLBWSLLYNA-AFUMVMLFSA-N 436.581 5.356 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C2CCCC2)cc1OC 1874452802 NYEXBELOMABCDD-AFUMVMLFSA-N 440.544 5.267 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2cccc(C)c2)cc1 1874454117 BCGCHRBWPXAXFQ-MFKUBSTISA-N 433.581 5.166 30 10 IKEE Fc1ccccc1/C=N/n1c(SCc2ccc(Cl)c(Cl)c2)nnc1C1CCCC1 1874457339 LQICIHWYDJVPGX-BRJLIKDPSA-N 449.382 6.556 30 10 IKEE CCOc1ccc(/C=N/n2c(CC)nnc2SCc2c(F)cccc2Cl)cc1OC 1874529008 NTHZSDPQVFMCDC-WYMPLXKRSA-N 448.951 5.215 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2C)cc1 1874572218 BPJIYXASEPWECS-WYMLVPIESA-N 447.962 6.433 30 10 IKEE COc1cccc(/C=C/C(=O)c2cccc(Br)c2)c1OCc1cccc(F)c1 1874575186 AEAFQPFNYRIVLB-VAWYXSNFSA-N 441.296 6.072 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(C)ccc2C)c1OCC(=O)Nc1cccc(C)c1 1874580248 FNQQQMSSXLGDQT-BUHFOSPRSA-N 429.516 5.534 30 10 IKEE CCOc1c(OC)ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c1Br 1874593039 OREOEYWVKYHCRF-FYWRMAATSA-N 437.333 6.420 30 10 IKEE C=C(C)COc1c(OC)ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1Br 1874593068 QFTJEJKOEVCFDR-VQHVLOKHSA-N 432.270 5.217 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3ccccc3F)c2)cc1C 1874593698 XKJNPKONSPWCAJ-DHZHZOJOSA-N 449.478 5.065 30 10 IKEE CCCOC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(F)cc2F)cc1OCC 1874611629 OARPSPOUBOZXFI-VMPITWQZSA-N 438.854 5.245 30 10 IKEE Cc1ccccc1COc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 1874622293 ACWYFZPQMZLJRT-OQLLNIDSSA-N 429.516 6.676 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OCCc1ccccc1 1874626425 DWJCNIGMEPQJEC-SDNWHVSQSA-N 430.544 6.228 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)c2)c(C)c1 1874702477 SLCDGXMEDRGEIO-UKTHLTGXSA-N 444.487 5.393 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1cccc(/C=C/C(=O)c2cccc3ccccc23)c1 1874708216 SJIPLIKEQRMTGV-VHEBQXMUSA-N 442.514 7.037 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cccc(OC(=O)c3cccc(OC)c3)c2)c1 1874713392 UGHHFTBHPNOGRE-WYMLVPIESA-N 446.499 5.608 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(F)cc1F 1875127541 LEVSPUSGLVLXPG-WTDSWWLTSA-N 428.818 5.742 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)CCc1ccccc1 1875132676 YIGNMBAETGTKIL-GXDHUFHOSA-N 434.919 6.091 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1ccc(C)c(C)c1 1875136172 ARHRSJSJVPTGCW-RVDMUPIBSA-N 440.539 6.464 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(F)c3)c([N+](=O)[O-])c2)cc1 1875148093 AJWXBNANVONSEY-NTUHNPAUSA-N 447.462 6.147 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc1OCC 1875152633 YRXNTVXSRSMNMG-CSKARUKUSA-N 434.891 5.878 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1 1875154007 JDCBZLQZCXAIKE-OBGWFSINSA-N 438.479 5.972 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3ccco3)c(OC)c2)c(C)c1C 1875167941 QIGRTPSRBFIRKK-CSKARUKUSA-N 436.460 5.038 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1OC(=O)C1CCCC1 1875168453 CTLJEQGOWZHDPA-ZHACJKMWSA-N 440.967 6.574 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)CC1CCCCC1 1875171634 GNGRXEZNPRKPST-ZRDIBKRKSA-N 436.548 6.093 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(Cl)ccc3OC)cc2)cc1 1875191889 JMYLUZCIOHMNSP-MKMNVTDBSA-N 436.891 5.863 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)ccc1OC(=O)c1ccc(F)cc1 1875194312 PMWPDGOZDQHLAY-XCVCLJGOSA-N 440.854 5.612 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)C3(c4ccc(Cl)cc4)CCC3)ccc21 1890571745 URGPLCARDZMJFX-UHFFFAOYSA-N 438.955 5.338 30 10 IKEE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(C#N)cc1 1984694485 KLKDKGSVDOLHDQ-VWLOTQADSA-N 439.515 5.060 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C1 1997231349 UINHZSMLZGXDBU-KOSHJBKYSA-N 435.609 5.486 30 10 IKEE C[C@H](CC(C)(C)C#N)Nc1cc(Br)c(Br)c(Br)c1 2034335621 UHPVXTWWHOEXLF-MRVPVSSYSA-N 438.989 5.714 30 10 IKEE Cc1ccc(Sc2ccc(C=CC(=O)c3ccc(OC(F)F)cc3)cc2[N+](=O)[O-])cc1 2053613025 VSBQPCNLHHCOQI-UHFFFAOYSA-N 441.455 6.552 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@@H](NC(=O)OC(C)(C)C)C1(C)C 2066216281 AEAXVAXWPQMYLV-KOSHJBKYSA-N 445.560 5.022 30 10 IKEE Fc1ccc(C(F)(F)F)c(-c2c(C(F)(F)F)nn3c(Cl)c4c(nc23)CSC4)c1 2081522024 MXTCNZIZOCRGNB-UHFFFAOYSA-N 441.759 5.973 30 10 IKEE CCCCCC#CC[C@@H](N)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2083431449 SJQNCDVUDCZHPE-XMMPIXPASA-N 441.660 5.237 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)ccc(Br)c1F 2145529107 PKUIYDIIHRTTND-MAUKXSAKSA-N 445.348 5.075 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)C1([C@@H]2CCCCO2)CC1 2164393169 CEUGEIWZJSLWFI-ROUUACIJSA-N 435.362 5.432 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CC[C@H]2CCCN[C@H]2C1 2166987041 ZYPPNNGCDHNQLI-LDBYXDLTSA-N 434.378 5.005 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CN(c2cc(Br)cc(C#N)c2)C2(CCCCC2)C1 2174807528 CUJCLERLWXRQSQ-KRWDZBQOSA-N 434.378 5.127 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCN(c2ccc(Br)cc2C#N)c2ccccc21 2174810591 OBHYPMHYEVCGPO-KRWDZBQOSA-N 428.330 5.428 30 10 IKEE CCCCCCC[C@@H](O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229102400 WTVOVHCXSAUMCF-RTBURBONSA-N 428.411 5.606 30 10 IKEE CN[C@H](C#Cc1ccccc1Br)c1cccc(C)c1NC(=O)OC(C)(C)C 2235727479 LCVLTDMDCSTBFQ-LJQANCHMSA-N 429.358 5.417 30 10 IKEE CC(C)(C)OC(=O)NC1CCC(CC[C@@H](O)C#Cc2ccccc2Br)CC1 2235736001 WBSNBHCWLMSOGP-NKELODKYSA-N 436.390 5.025 30 10 IKEE CC[C@H]1CC=C(C(=O)[C@H](Cc2cccc(Br)c2)NC(=O)OC(C)(C)C)CC1 2237408651 IXYLOVVHIJAXBG-KXBFYZLASA-N 436.390 5.591 30 10 IKEE C=CC1(C[C@@H](NC)[C@@H](Cc2cccc(Br)c2)NC(=O)OC(C)(C)C)CCC1 2237409808 QQYTVKQEOHDKFA-RTBURBONSA-N 437.422 5.219 30 10 IKEE CCCCCCCC[C@H](N)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237432577 DZYLUFGLMXWQBO-PMACEKPBSA-N 441.454 5.963 30 10 IKEE CN[C@H](C#Cc1ccc(C)cc1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2239651375 ABEHIQUOKBEZIV-GDLZYMKVSA-N 447.578 6.465 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1C[C@@H]2C[C@H](C1)CN(C(=O)OC(C)(C)C)C2 2258605980 XNLKXJMIPMCEKE-NDBXHCKUSA-N 442.644 5.411 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(OC)c(Br)s1 2263743745 POKSANRXDSLYJL-DOMZBBRYSA-N 433.412 5.029 30 10 IKEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N(Cc1ccccc1)c1ccccc1 2267603935 JKZVFNQZTVHEFC-UHFFFAOYSA-N 427.353 5.141 30 10 IKEE Cc1cc(Oc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)ccc1NC(=O)OC(C)(C)C 2267827017 OULWHWFXYVQYSU-UHFFFAOYSA-N 440.349 5.016 30 10 IKEE C=CC[C@@]1(COc2ccc(Br)cc2N)CCCCN1C(=O)OC(C)(C)C 2272094230 YZRYQFZULPVEBK-FQEVSTJZSA-N 425.367 5.146 30 10 IKEE C#CCN1C(=O)SC(=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C1=O 2293161039 VNCULZCXSZTEGR-UHFFFAOYSA-N 441.339 5.666 30 10 IKEE O=C1NC(=Nc2cccc(Cl)c2Cl)SC1=Cc1ccc(-c2cccc(Cl)c2)o1 2296885430 URWAZAFYBWPTNS-UHFFFAOYSA-N 449.746 6.798 30 10 IKEE O=C1NC(=Nc2ccccc2)SC1=Cc1ccc(-c2cccc(Br)c2)o1 2297303392 GKMMFSAFTYITEF-UHFFFAOYSA-N 425.307 5.601 30 10 IKEE CCCCCCCOc1ccc(C2=NC(=Cc3ccc(Br)cc3)C(=O)O2)cc1 2297412504 MKPJCXUHQAICEA-UHFFFAOYSA-N 442.353 6.143 30 10 IKEE COc1ccc(-c2ccc(C=C3SC(=Nc4cc(C)ccc4C)NC3=O)o2)c([N+](=O)[O-])c1 2313514002 GBIKQFFULQIBRV-UHFFFAOYSA-N 449.488 5.372 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 2314429641 LIDJTOSHWNAQAY-UHFFFAOYSA-N 428.528 6.416 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2c2nccs2)cc1 2314475002 PAKPXSNVLRWBJL-JOCHJYFZSA-N 446.528 5.114 30 10 IKEE N#Cc1cc(F)cc(Sc2cc(I)ccc2Br)c1 2316385544 XCKJZUDFFQPKDX-UHFFFAOYSA-N 434.071 5.216 30 10 IKEE Cc1csc(C#CC(=O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)n1 2316418450 LNKPWZCPYYVQKJ-UHFFFAOYSA-N 439.536 5.844 30 10 IKEE C=CCC(CC=C)[C@H](NCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2316751370 CSXQAJYWGCWAEL-IGKIAQTJSA-N 442.644 5.577 30 10 IKEE COC(=O)c1ccc(C=C2Oc3cc(OCc4cccc(Cl)c4)cc(C)c3C2=O)cc1 2321766682 UYFSTPBBFSZOBY-UHFFFAOYSA-N 434.875 5.630 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OCc3c(F)c(F)c(F)c(F)c3F)c2C)C1=O 2321813517 CSLWESJAZATYPW-UHFFFAOYSA-N 446.371 6.194 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2c(OCc3ccccc3F)ccc3ccccc23)c1C 2322840678 NWQVIFRBHIIECO-UHFFFAOYSA-N 438.542 7.688 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)NC2CCCCC2)c(C)c1 2322949000 JIHCXNSLECNDKB-UHFFFAOYSA-N 439.983 5.989 30 10 IKEE COc1cccc(C=CC(=O)c2c(C)cc(C)cc2C)c1OCC(=O)Nc1ccc(F)cc1 2322952963 QUQQDUHVPPKNDS-UHFFFAOYSA-N 447.506 5.673 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc(OC(=O)C=Cc3ccc(C)cc3)c2C)C1=O 2323063360 KPUQVIWSIRBKMC-UHFFFAOYSA-N 426.468 5.547 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OCC(=O)Nc1cc(C)cc(C)c1 2323280092 NCAYSKVJSQPVBE-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc4ccccc4c3)cc2)cc1C 2323395756 GNIPKVRSNUCCLA-UHFFFAOYSA-N 435.523 6.370 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cc(C)ccc3C)c(Cl)c2)c1 2323486553 KJNSIBCFEQESPD-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE Cc1ccc(C)c(COc2ccc(C=CC(=O)c3ccc(Cl)cc3Cl)cc2Cl)c1 2323512364 JPHINCQVODBVHL-UHFFFAOYSA-N 445.773 7.739 30 10 IKEE CCOc1c(Br)cc(C=NNc2nc(-c3cccs3)cs2)cc1OC 2323854724 SVVZQFQZSLZXRT-UHFFFAOYSA-N 438.372 5.487 30 10 IKEE CCCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccco2)C3=O)cc1 2323934835 AZFFOEGGVHWFPH-UHFFFAOYSA-N 432.428 5.129 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 2323985631 MUCZTOBTWQAZJM-UHFFFAOYSA-N 447.506 5.673 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2cccc(F)c2)C3=O)c(C)c1 2324494508 SZOHDJOKQPQXTG-SFHVURJKSA-N 445.490 5.773 30 10 IKEE O=C1C(=Cc2ccccc2Cl)Oc2cc(OC(c3ccccc3)c3ccccc3)ccc21 2325215816 NUNSEDITQFZWLG-UHFFFAOYSA-N 438.910 7.125 30 10 IKEE COc1ccccc1C=C1Oc2cc(OCCC(=O)Nc3ccc(C)cc3)ccc2C1=O 2325224576 MCHIJVSMZRSVFI-UHFFFAOYSA-N 429.472 5.027 30 10 IKEE CCOc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1 2325705204 RXRXYTHZWDKWLV-UHFFFAOYSA-N 447.462 5.167 30 10 IKEE CCc1ccccc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1cccc(Cl)c1)C2=O 2325737415 PEOQXYXOFLGMCA-UHFFFAOYSA-N 447.918 5.845 30 10 IKEE COc1ccc(C=CC(=O)c2cccc3ccccc23)cc1OC(=O)c1ccc(F)cc1F 2325749546 YGIWJEKFWXRSES-UHFFFAOYSA-N 444.433 6.242 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(F)c(C)c3)c2)c(C)c1C 2325755496 CCGFNAMKPJMZHA-UHFFFAOYSA-N 432.491 5.804 30 10 IKEE COc1ccc(CCC(=O)Oc2cccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)c2)cc1 2325756936 VIGNNHRSUBSJGW-UHFFFAOYSA-N 442.555 6.363 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cccc(OC(=O)COc2ccc(C)cc2C)c1 2325757563 RIFIBDREYFKYEN-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CC[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C1 2326072197 IEAYMJAFEUFZJY-AOJNWGRGSA-N 442.600 5.088 30 10 IKEE CCCOc1ccc(C=Nn2c(CCC)nnc2SCc2cccc(F)c2)cc1OC 2326733766 TWMKNHGNNGEJAE-UHFFFAOYSA-N 442.560 5.342 30 10 IKEE CCCSc1nnc(-c2ccccc2Cl)n1N=Cc1cccc(OC)c1OCC 2329600338 WDKUPKHQVCIJLL-UHFFFAOYSA-N 430.961 5.390 30 10 IKEE C=C(C)CSc1nnc(CC2CCCCC2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2330269922 YNJHKKVAXALSOV-UHFFFAOYSA-N 433.965 5.513 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1cnc(C)cn1 2330695711 XVLDQLWRRVMPNI-UHFFFAOYSA-N 442.515 5.178 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3cc(C)cc(C)c3)c(OC)c2)cc1 2330738668 YAMVXGIEVIHKGY-UHFFFAOYSA-N 448.946 6.643 30 10 IKEE COc1cccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccc(C)cc2)c1OC 2330800634 PMXVPDDKWNFBDB-UHFFFAOYSA-N 438.597 5.367 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccc(Cl)c(C)c3)cc2)cc1 2330952332 SYMBDZGJAHSLJZ-UHFFFAOYSA-N 436.891 5.538 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2[C@@H]2CCCO2)c1 2330996161 UZWOPYWAPLZYRB-FQEVSTJZSA-N 442.972 5.356 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 2331018315 KTCRLLDRSNOTTQ-UHFFFAOYSA-N 429.472 6.008 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2OCC)cc1 2331177882 MIULRFSZVVGBOZ-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3OC)c(Cl)c2)cc1 2331195489 DIJUMQQBRSKXOR-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE COc1ccccc1C=Nn1c(SCc2c(F)cccc2Cl)nnc1-c1ccco1 2331232518 SPIMJNMONIPEQU-UHFFFAOYSA-N 442.903 5.514 30 10 IKEE CC(=O)Oc1c(Br)cc(C=CC(=O)c2ccc(C)cc2)cc1Br 2331260622 RNNMBCSNHVMFLC-UHFFFAOYSA-N 438.115 5.341 30 10 IKEE COCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1cccc(Cl)c1 2331295800 GDHNBZNVUPYBOY-UHFFFAOYSA-N 436.968 5.448 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCCO4)cc2)cc1 2331397555 OGYZECNHEWQXBG-UHFFFAOYSA-N 442.511 5.455 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1cccc(Cl)c1 2331430654 PPIPJYTYZUYLDJ-UHFFFAOYSA-N 448.946 6.761 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H](C)c3ccccc3)c(Cl)c2)cc1F 2331455602 AUHNSZJUDOMPKM-MRXNPFEDSA-N 438.882 6.093 30 10 IKEE Cc1ccsc1C(=O)Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1Cl 2331472773 UGPUJNUSAVIOQB-UHFFFAOYSA-N 432.928 6.978 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)c1ccc(F)cc1 2331492632 ASFDRUALJYDPGS-UHFFFAOYSA-N 448.490 6.082 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2C2CCC2)cc1OC 2331497867 IJWHVMRRJXGSAT-UHFFFAOYSA-N 436.581 5.436 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CCC2)cc1 2331525719 KGIZGGUHGHZONH-UHFFFAOYSA-N 441.000 6.162 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OC(=O)[C@@H]1CCCO1 2331589833 YOCZBUOWCDSESB-QHCPKHFHSA-N 438.520 5.116 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(Oc4ccccc4)cc3)cc2)cc1 2331592166 XBGAGBGXUMTUEK-UHFFFAOYSA-N 434.491 6.903 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2c[nH]c3ccccc23)c1 2331684825 VSVVQFYDVQOZDA-UHFFFAOYSA-N 446.580 5.113 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C(C)C)cc1 2331708697 LRAPUUKOPZIYRQ-UHFFFAOYSA-N 449.407 6.282 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc1OCC 2331758469 IPVMHNYUBDLVNR-UHFFFAOYSA-N 430.928 6.047 30 10 IKEE CCC(CC)(COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339601272 WYJUFFIOSXTZHD-CCEZHUSRSA-N 446.397 5.189 30 10 IKEE C=CCCC1([C@@H](NCCC)c2cncc(Br)c2)CN(C(=O)OC(C)(C)C)C1 2370483100 RADXWXJMRCWYPI-SFHVURJKSA-N 438.410 5.088 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NC)c2c(C)c(C)c(Br)c(C)c2C)C1 2372284808 MNVWMRYKALNEMF-LJQANCHMSA-N 437.422 5.557 30 10 IKEE O=S(=O)(Oc1ccc(/C=N\c2cccc(C(F)(F)F)c2)cc1)c1ccc(Cl)cc1 17918107 AFQMTHNCLKGKTP-MXAYSNPKSA-N 439.842 5.877 30 10 IKEE COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc2ccccc2c1 20881596 YONXZIYLFULHMK-SMSORMJASA-N 446.550 6.828 30 10 IKEE COc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccccc1[N+](=O)[O-] 21259150 ZFDTZPJYDJAGJM-DXPJPUQTSA-N 441.487 5.583 30 10 IKEE CCOc1ccc(Sc2ccc(/C=C3/C(=O)c4ccc5ccccc5c4N3C)cc2)cc1 33155132 NYBVANKNKCBURS-ITYLOYPMSA-N 437.564 7.063 30 10 IKEE O=C1N/C(=N\N=C\c2ccccc2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccccc1 35484997 BSXDHRGRFCACGD-XBSHTGLCSA-N 449.539 5.133 30 10 IKEE C=CCOc1cccc2c1cc(C(=O)NCC(C)C)n2Cc1cccc(C(F)(F)F)c1 35924520 UFVGNFNSVTWAKT-UHFFFAOYSA-N 430.470 5.659 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc21 38707999 DLWZSRGXGXLOHH-UHFFFAOYSA-N 433.430 5.287 30 10 IKEE C=C(C)C(=O)NCCCCCc1nc2ccccc2n1CCCOc1cccc(C)c1C 40219798 WKVMKOFMXSHPJO-UHFFFAOYSA-N 433.596 5.527 30 10 IKEE C=CCc1ccc(OCCCn2c(Cc3ccc(Cl)cc3)nc3ccccc32)c(OC)c1 40225990 SAUSCZDKDOSFPK-UHFFFAOYSA-N 446.978 6.487 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OC(=O)C(C)(C)C)cc(C)c3C2=O)c2cc(OC)ccc21 41250253 AVULBGQIPLOFRA-JJFYIABZSA-N 433.504 5.546 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(C(C)(C)C)cc1)C3=O)CN(C1CCCCC1)CO2 41588131 BYUUZEVALPJALR-OYKKKHCWSA-N 431.576 6.393 30 10 IKEE Cc1ccc(/N=C2\NC(=O)/C(=C/c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)S2)cc1C 59427283 IYBSATNRQLTGHW-UUYOSTAYSA-N 446.532 5.511 30 10 IKEE C/C(CC(C)C)=N\Nc1nc(SCCC(=O)Nc2c(Cl)cccc2Cl)n[nH]1 59892225 QFMLGAFBIQVDGA-SSDVNMTOSA-N 429.377 5.066 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccc3nc(SCC)sc3c2)nnc1C(C)C 59910553 FGEHJMQGEWFBCW-UHFFFAOYSA-N 433.628 5.040 30 10 IKEE Cc1ccc(C(=O)/N=C(/NCCc2c[nH]c3ccccc23)Nc2ccc(F)cc2)cc1F 66437715 NXWOZKMSVLSGSK-UHFFFAOYSA-N 432.474 5.195 30 10 IKEE CCCCCCCCCCCCCCCCNCc1ccc(O[C@@H](C)CC)c(OC)c1 100125347 YJCGSRXAAXQLSM-VWLOTQADSA-N 433.721 8.443 30 10 IKEE O=C(Nc1ccccc1Cl)[C@@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2ccccc2)S1 100391960 FXUROMYZTXFDIL-TYGLDRHGSA-N 449.963 5.501 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)S/C1=N/c1nnc(C)s1 101131330 FOAOGIVTYMEBFM-OZZFTROTSA-N 430.942 5.384 30 10 IKEE CCCCCCCCCn1c(CCCCCNC(=O)c2cccc(C)c2)nc2ccccc21 102167381 RXIKZLFFBRDXGY-UHFFFAOYSA-N 447.667 7.238 30 10 IKEE O=C1/C(=C2/Cc3ccccc3N2)c2ccc(Br)c3c(Br)ccc1c23 102605636 QWCRGDPYXUXUGC-VLGSPTGOSA-N 441.122 5.940 30 10 IKEE N#Cc1ccc(CNc2c(Br)cc(Br)cc2Br)o1 161038880 QJBYCWHUWZSFIC-UHFFFAOYSA-N 434.913 5.051 30 10 IKEE CCCOc1c(Cl)cc(/C=N\n2c(S)nnc2COc2ccccc2)cc1Cl 169914332 DZYKMBFXDQSTMS-JJFYIABZSA-N 437.352 5.124 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccc(OC)c2)c1 169930507 VXXUIVZMBRBVLH-XMMPIXPASA-N 443.499 5.185 30 10 IKEE CN1C(=S)N[C@@H](c2c(OCc3ccccc3)ccc3ccccc23)C2=C1CCCC2=O 169936424 RSDXIRNASHFFCP-VWLOTQADSA-N 428.557 5.287 30 10 IKEE CCCCCCCCCOc1ccc(/C=C2/C(=O)C3CCN2CC3)cc1Br 169942053 FZNBJPHLOOFCHE-FXBPSFAMSA-N 434.418 6.214 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2cc(C)ccc2O)c1 169970927 WBHMQUYNQFKWSI-QHCPKHFHSA-N 431.463 5.239 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccs1 169986979 PRCKYNDXBKLYHK-IBGZPJMESA-N 444.339 6.146 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2cccnc2)cc1 170002597 ZGHJMEIFRBUBHU-XMMPIXPASA-N 426.516 5.550 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2ccncc2)cc1C 170019349 UWJGKRLPYUOOJO-QFIPXVFZSA-N 432.907 5.443 30 10 IKEE O=C(C1=C(O)C(=O)N(c2nc3cc(F)ccc3[nH]2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 170056397 QSEKVLFHYJGZEY-HXUWFJFHSA-N 447.853 5.138 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(Cl)cc2)ccc1F 170056763 VLRBOBXQFIQJPQ-FQEVSTJZSA-N 441.911 5.628 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccc(Cl)cc2)c1 170058762 NWLVUSKKITZKHF-JOCHJYFZSA-N 432.907 5.130 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1c1ccc(N(C)C)cc1 170087144 ZHVVIKKMIQRETO-HSZRJFAPSA-N 446.934 5.497 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2sccc2C)c1 170106271 HPMYASDEYGJLDA-OAQYLSRUSA-N 433.529 5.465 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C2CCCCC2)cc1 170114782 WQLBZTABLLPHJK-NRFANRHFSA-N 425.912 5.260 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2c2ccccc2)c1 170141727 QIDUPJHKGCCOFL-RUZDIDTESA-N 441.527 5.813 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccs2)cc1C 170156694 FNZLIQNFCRKSQM-QFIPXVFZSA-N 433.529 5.547 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2cccnc2)cc1 170188570 NJBFJIVWUNUVBC-QFIPXVFZSA-N 448.906 5.305 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1ccc(OCC)cc1 170214133 VMTCIOZSGLLVDL-OAQYLSRUSA-N 439.895 5.473 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@@H]1c1cccc(OCC)c1 170217922 JQHAAXRMPPXNKT-NRFANRHFSA-N 443.927 5.126 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccccc2)cc1C 170228287 CPCVNKIBAPFJOO-VWLOTQADSA-N 441.527 5.712 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2)ccc1Cl 170233866 JMGYZGKIMXLMFL-OAQYLSRUSA-N 425.912 5.260 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1F)c1ccc(Cl)c(Cl)c1 170249139 UHRAPZMKMVGFRE-FQEVSTJZSA-N 442.273 5.915 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(CC)cc2)cc1 170266335 UHOXQQWVEPGIEU-XMMPIXPASA-N 445.515 5.409 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccc2C)c1 170273035 DSZJGKZVZHILKH-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccco2)cc1 170280874 MIYVTDNYTGJXGF-HSZRJFAPSA-N 426.472 5.667 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccco2)cc1Cl 170290436 PWUBWJPCLGZCGB-LJQANCHMSA-N 445.805 5.003 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2Cc2ccc(F)cc2)o1 170311184 KHRQLNGYVBDFRD-DEOSSOPVSA-N 445.490 5.384 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc(Cl)c(Cl)c2)=C(O)C(=O)N1Cc1ccco1 170316329 KFEFCEPDQKDYEU-QGZVFWFLSA-N 448.327 5.735 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccc(N(C)C)cc2)cc1 170338250 PHYORBWCWAQZBI-QHCPKHFHSA-N 448.469 5.122 30 10 IKEE Cc1nc(COc2cccc(/C=C\C(=O)Nc3ccccc3SCCC#N)c2)cs1 209930651 FIQKIEGGKDVZNV-KHPPLWFESA-N 435.574 5.688 30 10 IKEE Cc1ccc(N=C2/C(=C\Nc3ccc(C)cc3)CCc3c2c(C)nn3-c2ccccn2)cc1 252624762 PUPPBZVRWXBMAI-KDJMRDEISA-N 433.559 6.256 30 10 IKEE O=C(Oc1ccccc1C=Nc1cccc2ccccc12)c1sc2ccccc2c1Cl 254295604 WPTJANLCUFAVQJ-UHFFFAOYSA-N 441.939 7.678 30 10 IKEE O=C1/C(=C\c2cccc(O)c2)SC(=Nc2ccccc2)N1CCc1c[nH]c2ccccc12 254868220 QLBBFNNDICRPKB-OFYGDPCRSA-N 439.540 5.720 30 10 IKEE Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)cc(C(F)(F)F)c2C#N)cc1 261526840 MYZVKPYMLJBQFQ-UHFFFAOYSA-N 427.451 5.678 30 10 IKEE N#Cc1ccc(Nc2cc(Br)ccc2I)cc1Cl 305944491 FUURWQJVSHWSGW-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE C=C(COCC)[C@@H](NCCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 407087590 KIGSYQSBKGENDP-GOSISDBHSA-N 427.383 5.430 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(OC)cc2)cc1 526515401 JYVYXQOCHNXLCG-RUZDIDTESA-N 440.499 5.413 30 10 IKEE Cc1ccc([C@@H]2C(c3ccc(Cl)cc3Cl)=C(O)C(=O)N2c2ccccc2C#N)o1 526607977 BBQRXUIQTLQAPB-HXUWFJFHSA-N 425.271 5.824 30 10 IKEE CCCCOc1ccc(/C=N\n2c(CCCC)nnc2SCc2ccccc2F)cc1 526802375 FLLPIEVAOAGGFC-ONUIUJJFSA-N 440.588 6.113 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1ccc(OCC)c(Cl)c1 526803056 QIWLMHQUNFVXDE-CFRMEGHHSA-N 432.952 5.596 30 10 IKEE Oc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2cccc(Cl)c2)cc1 526812696 IKERMQDFDPGNSX-MYYYXRDXSA-N 434.952 5.402 30 10 IKEE C=CCCN(c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1cc(Cl)ccc1OC 586258533 MJDBQEFHBHQGAT-UHFFFAOYSA-N 435.851 5.019 30 10 IKEE CCCCCCC[S@](=O)CC(=O)Nc1scc(-c2ccccc2)c1C(=O)OCC 586295521 CFKPWTNBILFTNV-LJAQVGFWSA-N 435.611 5.249 30 10 IKEE CC(C)c1nc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)cs1 696459213 DDNRFQSOKHIEDP-INIZCTEOSA-N 436.375 6.035 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OCc3ccccc3)C2)c1 698472325 ZUAKYBXDDGIVKK-RUZDIDTESA-N 435.524 5.041 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCc2c(Br)cccc21 698480103 ZOJMUNRKPFANQB-QFIPXVFZSA-N 427.342 5.864 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccc(F)c(Br)c1 698483565 CNRKBIZBYOZLIH-KRWDZBQOSA-N 435.293 5.603 30 10 IKEE Cc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)cc1Cl 698487807 HUZYDLVQESRIDE-GOSISDBHSA-N 435.749 6.417 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@H](C#N)c1ccc(Cl)c(Br)c1 698843732 XMXUJNMFYGLFSK-GOSISDBHSA-N 441.797 6.627 30 10 IKEE CC(C)(C)c1ccc([C@H]2/C(=C(/O)c3cccs3)C(=O)C(=O)N2Cc2cccnc2)cc1 1613913390 RTVNIEMZFPPXBH-AGGMBTAESA-N 432.545 5.063 30 10 IKEE Cc1c(C(=O)Nc2ccc(C(C)C)cc2)oc2c1C(=NNc1ccccc1)CC(C)(C)C2 1772728971 CYSJEIHUDZQBSO-UHFFFAOYSA-N 429.564 6.752 30 10 IKEE CN1C(=O)/C(=C/C=C\c2ccccc2[N+](=O)[O-])SC1=Nc1nc(-c2ccccc2)cs1 1772734383 CWSACVAGZAKVFE-NABWLQBBSA-N 448.529 5.508 30 10 IKEE C/C(=C1\SC(=Nc2cccc(C(=O)O)c2)N(c2ccccc2)C1=O)c1ccc(C)c(C)c1 1772739010 ZNEJYVVOQKQHDP-JQJRQWMGSA-N 442.540 6.200 30 10 IKEE N#CCc1c(-c2ccccc2OC(F)(F)F)cncc1-c1ccccc1OC(F)(F)F 1848361989 VTLMEHXZXBCGLL-UHFFFAOYSA-N 438.327 6.279 30 10 IKEE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ncccc1OCc1ccc(C#N)cc1 1858754037 ZHEYIEGYMVWIOZ-CQSZACIVSA-N 442.302 5.245 30 10 IKEE N#Cc1ccccc1COc1cccc(NC(=O)c2ccc(OCc3ccccc3)cc2)c1 1860125750 BQCJTZAFAJLITO-UHFFFAOYSA-N 434.495 5.969 30 10 IKEE N#Cc1ccc(NC(=O)c2cccc(NC(=O)c3c(Cl)ccc(Cl)c3Cl)c2)cc1 1860860074 DASGHRGXQUUENC-UHFFFAOYSA-N 444.705 6.023 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)c1ccc(Br)cc1 1861339751 RRPHFGZHRREAOR-IBGZPJMESA-N 425.411 5.214 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)CC1CCCCC1 1861460566 AIHGZJSOUZBLON-VWLOTQADSA-N 428.661 5.941 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)c1cc(Cl)ccc1OC 1861540204 ZAORQKOCJFKSRB-HXUWFJFHSA-N 425.013 5.504 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)[C@@H](C)Oc1ccc(C(C)C)cc1 1861677082 JHOGMJYHLCFTCW-RDGATRHJSA-N 446.676 6.119 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2C)cc1 1862389706 LQNQMIGWNLPMFU-RUZDIDTESA-N 440.543 5.511 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CC(C)C)cc1 1862439948 QFMVEFZXHCYNJT-JOCHJYFZSA-N 440.971 5.421 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccccc2F)c1 1862443452 PPNVDLGGWNDEGA-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(O)cc1 1862443572 QBYOOFSPRKFMQI-XWRIVVANSA-N 425.912 5.203 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C(C)C)cc1 1862451938 QSOACDMIOKICJI-NRFANRHFSA-N 426.944 5.173 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccccc1Cl)c1c(F)cc(F)cc1F 1862463367 GPRGACXGMIDYEW-IBGZPJMESA-N 435.829 5.278 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2cccc(O)c2)c1 1862490312 SMDJRPKPXBEBMI-HOYKHHGWSA-N 427.500 5.349 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccc(Br)cc2)c1 1862496545 MKRMDBXOJBSTHG-LJQANCHMSA-N 428.326 5.053 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2c(Cl)cccc2Cl)cc1 1862538467 HOOWYJSPVYFCNQ-ZUOKHONESA-N 432.347 5.933 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCC(C)C)cc1 1862547888 FMWUZGZHSUVIHO-DEOSSOPVSA-N 433.548 5.198 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc(Cl)c1)c1ccc2c(c1)CCCC2 1862548566 VKBQMBJILOTATA-HSZRJFAPSA-N 447.918 5.590 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(C)cc1 1862580970 WHPNLJAKDMOILQ-NRFANRHFSA-N 446.374 6.460 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1 1862581090 YNZWUVOJPWBVNH-FQEVSTJZSA-N 432.347 6.152 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(C(C)(C)C)cc2)=C(O)C(=O)N1[C@@H]1CCCC[C@H]1C 1862613997 VEZYFFIXPFFQJW-RZPHLTDDSA-N 445.603 6.450 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccc1Br 1862657115 VHNFHJRVECYFRD-HXUWFJFHSA-N 436.305 5.201 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@@H]1c1ccc2cc[nH]c2c1)c1ccc(F)cc1 1862679326 YCPLQCHOLDHINQ-JOCHJYFZSA-N 446.503 5.190 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(C)cc1 1862722716 XMDMJEWLLLMISR-KBMIEXCESA-N 425.528 6.039 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Nc3ccccc3)cc2)=C(c2ccc(Cl)cc2)C1=O 1863171332 MUHDLMFTCJJQII-UHFFFAOYSA-N 429.907 5.462 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccccc2OC)C1=O 1863429549 HEEGJGLSCMAVLW-UHFFFAOYSA-N 431.536 5.119 30 10 IKEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2CC)[C@H]1c1ccccc1 1863989229 BTBCKDIPBNXXHF-OAQYLSRUSA-N 438.616 5.027 30 10 IKEE CCCCCCCOc1cn(Cc2ccccn2)c(CN2CCc3ccccc3C2)cc1=O 1870414302 KRGXZJGFWTZCOF-UHFFFAOYSA-N 445.607 5.199 30 10 IKEE CCCCCCCOc1cn(CC(C)C)c(CNc2ccc(OC)c(Cl)c2)cc1=O 1870832246 UQJGCEOEPQHRIA-UHFFFAOYSA-N 435.008 6.128 30 10 IKEE C=CCn1cc(OCc2c(C)cccc2C)c(=O)cc1CNc1ccc(N2CCCC2)cc1 1870920518 RYVXKNUSHDQRFW-UHFFFAOYSA-N 443.591 5.442 30 10 IKEE CCCCCCCCCCN=c1nc2c(cnn2C)c(Nc2ccc(Cl)cc2Cl)[nH]1 1871298643 FLNNLQWQUMCGJJ-UHFFFAOYSA-N 449.430 6.388 30 10 IKEE C=CCOc1cccc(C(=O)Nc2ccc3oc(C(=O)c4ccc(OC)cc4)c(C)c3c2)c1 1871357913 BFHHRKUKYPBRRN-UHFFFAOYSA-N 441.483 5.798 30 10 IKEE Cn1cc(/C=C2\Oc3cc(OC(=O)C(Cl)(Cl)Cl)ccc3C2=O)c2ccccc21 1871363034 CKDHXIPNUTYRMJ-IUXPMGMMSA-N 436.678 5.070 30 10 IKEE Cc1ccc(CCC(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)cc1 1871366278 BRWJCFVBFPTFKM-ONUIUJJFSA-N 440.539 6.447 30 10 IKEE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1OC 1871367040 VPUHKIQDAFODQS-WZHUGYCUSA-N 442.467 5.247 30 10 IKEE Cc1cc(OC(=O)/C=C/c2ccco2)cc2c1C(=O)/C(=C/c1cn(C)c3ccccc13)O2 1871369587 SJMLOGAPHNEWNO-NFVZFISFSA-N 425.440 5.315 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1 1871382255 PUGHLEWPCUVASS-QFEZKATASA-N 442.467 5.571 30 10 IKEE COc1ccc(Br)cc1/C=C1\Oc2cc(OC(=O)C=C(C)C)cc(C)c2C1=O 1871385113 VXCDEHZCAWOWJW-GRSHGNNSSA-N 443.293 5.254 30 10 IKEE C=CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2C)C3=O)c1 1871389743 MYFCSEABQXOKGA-IWIPYMOSSA-N 426.468 5.704 30 10 IKEE CCN(CCc1ccncc1)Cc1c(O)cc(C)c2c1O/C(=C\c1cccc(C)c1)C2=O 1871394428 XJNGNUHRMRFUCY-JLPGSUDCSA-N 428.532 5.085 30 10 IKEE Cc1cccc(OCCOc2cc(C)c3c(c2)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)c1 1871406859 KXLTVMDHOFIVTI-ONUIUJJFSA-N 442.555 6.675 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccccc2C)C3=O)c1 1871412551 VGZCZYLAMTWPMK-FXONECCMSA-N 441.527 5.942 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C(C)C)cc4)ccc3C2=O)c1 1871435416 KJEOTALQGRNCAI-QFEZKATASA-N 443.499 5.452 30 10 IKEE N#Cc1ccccc1COc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O 1871437388 VGUUQMXJHLMOAV-JJFYIABZSA-N 432.273 5.516 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccc(Cl)cc3)cc(C)c2C1=O 1871440673 BCTIUQYASMRMAR-UUYOSTAYSA-N 449.890 5.291 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc5ccccc45)cc(C)c3C2=O)cc1 1871452312 DUVPWZIQAGNBAN-YSMPRRRNSA-N 449.506 6.090 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)cc1 1871454684 RHEWCOLLAAFOAW-OYKKKHCWSA-N 442.515 5.003 30 10 IKEE C=CCN([C@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1872005641 GYHWFSGOPYKKOV-HXUWFJFHSA-N 442.625 5.113 30 10 IKEE C=CCN([C@H](CCC)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)c(C)c1 1872426478 BBXQWHYYGVKJHK-JOCHJYFZSA-N 449.016 5.249 30 10 IKEE N#C[C@@H](C(=O)c1cccc2ccccc12)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872759764 YZAXWNMOOXUWFW-VWLOTQADSA-N 430.532 7.120 30 10 IKEE N#C[C@@H](C(=O)c1cc2ccccc2oc1=O)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872787844 SVCCIIAVZORFSJ-HNNXBMFYSA-N 441.295 5.713 30 10 IKEE C[C@@H]1C[C@@H](C)CN(CC(=O)[C@H](C#N)c2nc(-c3ccccc3)c(-c3ccccc3)s2)C1 1872799848 MLKOYWZJQQMGHR-KNKQGSTJSA-N 429.589 5.631 30 10 IKEE C=CCc1ccccc1OCc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1 1872870830 URXMEEPEVVTTKE-UHFFFAOYSA-N 430.523 5.096 30 10 IKEE CCCCCCCCNC1=C(c2cc(C)ccc2C)C(=O)N([C@@H](CC)CCCCC)C1=O 1873150549 AXSPTVLBAYIMRG-QHCPKHFHSA-N 440.672 6.692 30 10 IKEE CCOc1ccc(CCc2nnc(SC)n2/N=C/c2ccc(C(C)C)cc2)cc1OC 1874197646 VFIVTZVQERNVHK-PCLIKHOPSA-N 438.597 5.198 30 10 IKEE CCCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1cccc(Cl)c1 1874218131 WEDTWXLETYEWAZ-WYMPLXKRSA-N 449.407 6.165 30 10 IKEE CCCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(OC)c(O)c1 1874271295 OHIXZVAUJGBDHM-PCLIKHOPSA-N 432.549 5.121 30 10 IKEE CCOc1c(/C=N/n2c(CCc3ccccc3Cl)nnc2SCC)cccc1OC 1874276262 CKALCZKSJNWQQZ-BUVRLJJBSA-N 444.988 5.118 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccccc3)n2/N=C/c2cccn2C)CC1 1874287928 FEAZDUUKUKUIJB-NLRVBDNBSA-N 435.641 6.255 30 10 IKEE C=CCSc1nnc(CCc2cccc(OC)c2)n1/N=C/c1c(F)cccc1Cl 1874310687 JJGCOFLILSTYHE-ZVHZXABRSA-N 430.936 5.025 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccc(C)c(C)c3)n2/N=C/c2cccnc2)c1 1874319146 BXKXCNBEGOAFIF-JFLMPSFJSA-N 443.576 5.352 30 10 IKEE CCCOc1ccc(/C=N/n2c(CCc3ccc(C)c(C)c3)nnc2SCCC)cc1 1874331849 ITPRSTIFIMWYMQ-NLRVBDNBSA-N 436.625 5.853 30 10 IKEE Oc1ccccc1/C=N/n1c(SCc2cccc(F)c2)nnc1-c1ccccc1Cl 1874366003 GSMKZGRQJVWGFK-DHRITJCHSA-N 438.915 5.618 30 10 IKEE CCCNC(=O)CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1ccc(C(C)C)cc1 1874393479 NYBQNNUZWBCDEE-FQNOVECQSA-N 449.624 5.054 30 10 IKEE Cc1ccsc1/C=N/n1c(SCc2ccc(F)cc2)nnc1[C@H](C)c1ccccc1 1874394402 LSBGEXLWMRIMSM-NFXIUMSZSA-N 436.581 6.113 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(O)cc1O 1874394905 YOKQFBRXVXHODP-JOBSNELWSA-N 448.523 5.155 30 10 IKEE C(=N/n1c(CC2CCCCC2)nnc1SCc1cccc2ccccc12)\c1ccccc1 1874409197 JZVRBXQXGLDZEU-TURZUDJPSA-N 440.616 6.729 30 10 IKEE COC(=O)c1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2C2CCCC2)cc1 1874452567 BPBOYGJRRMVIQE-MFKUBSTISA-N 434.565 5.205 30 10 IKEE Clc1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2ccccn2)c(Cl)c1 1874457366 MUVLEAQPUVIDFW-WYMPLXKRSA-N 432.380 5.812 30 10 IKEE Cc1ccc(COc2cccc(/C=N/n3c(S)nnc3Cc3ccc(C)cc3)c2)cc1 1874561259 KGNBPOLENPRJBH-WGOQTCKBSA-N 428.561 5.236 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)N[C@H](C)c2ccccc2)cc1 1874575872 LDIHSWRXZDKQGU-PMXLPMHFSA-N 449.934 5.501 30 10 IKEE CCN(CC)C(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(OC)c(F)c1 1874582457 OMTWEGJJIDMLCK-OUKQBFOZSA-N 435.495 5.131 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OCc1ccc([N+](=O)[O-])cc1 1874600655 WMGSGXOQNUXSRL-YRNVUSSQSA-N 431.488 6.004 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(Br)c1OCC 1874603815 GSNWOIJWANLQEF-FMIVXFBMSA-N 429.354 6.021 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)c1OCC(=O)N(CC)CC 1874617654 NHRIOKRDGWMTKU-ZRDIBKRKSA-N 443.971 5.499 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2[N+](=O)[O-])c1 1874633206 QRDFGFNMPMZEJJ-DHZHZOJOSA-N 444.487 5.434 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc(/C=C/C(=O)c3c(C)cc(C)cc3C)cc2)c1 1874633898 ACWIIFUAZYFPBW-DHZHZOJOSA-N 427.544 6.142 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1cccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c1 1874692849 AOIXCRBTJRTYMA-WOJGMQOQSA-N 436.482 6.537 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)[C@H](C)c1ccccc1 1874698282 OVBFJRHEIFCREU-LEHPZIBWSA-N 431.444 5.209 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OC(=O)c1c(OC)cccc1OC 1874703254 HHZICJQKNADFAV-ACCUITESSA-N 446.499 5.445 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC(=O)c2cccc(C)c2)c1 1874710276 ZXQXQTGHIWNJDW-WYMLVPIESA-N 428.528 6.416 30 10 IKEE Cc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(Oc4ccccc4)cc3)c2)cc1 1874712858 UDABGERJGAQEQU-XMHGGMMESA-N 448.518 6.832 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2cccc(OC(=O)c3ccccc3C)c2)cc1Cl 1874713671 IVRQNVRFLWXIEK-VAWYXSNFSA-N 436.891 5.781 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)c1 1875084950 IEEGSQAUNGFREH-CSKARUKUSA-N 449.890 5.909 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(Cl)c1OC(=O)c1ccccn1 1875101495 DGQPVJBGOUHEMU-ZHACJKMWSA-N 437.879 5.258 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)C3CCC3)c(OC)c2)cc1 1875105714 IJQIQPSSQFDBMR-SDNWHVSQSA-N 426.940 6.293 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(OC)c(OC(=O)c2sccc2C)c(OC)c1 1875118214 QZDFVBOPKLFHNF-MDZDMXLPSA-N 438.501 5.198 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)c1ccncc1 1875124953 KLZUAHQIUWMROI-ZZXKWVIFSA-N 443.833 5.527 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(Cl)c(OC(=O)c2ccncc2)c(OC)c1 1875143738 OCXJFUMFFILAEQ-AATRIKPKSA-N 437.879 5.176 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC(=O)CC(C)(C)C 1875148947 QQSWAHKAMGWWIW-NTEUORMPSA-N 438.564 6.239 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)CCc1ccccc1 1875150534 SASUWNLSQXNWGT-LICLKQGHSA-N 442.555 6.427 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccs2)c(Br)c1)c1ccc(F)cc1 1875158119 GOGCIYGQCTWHSU-YCRREMRBSA-N 431.282 5.765 30 10 IKEE C[C@H](C(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1[N+](=O)[O-])c1ccccc1 1875162741 SOIQEGBICWVDKT-USYSOWRXSA-N 437.398 5.478 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OC(=O)CSc1ccccc1 1875163306 FBPXGZBFSGWRRE-YRNVUSSQSA-N 440.467 5.567 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)ccc1OC(=O)c1ccco1 1875181724 UUYCEJBXURZDMG-SOFGYWHQSA-N 426.852 5.374 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)C3CCCC3)c(OC)c2)cc1Cl 1875187756 WGKTUCSJGIJLIQ-VQHVLOKHSA-N 449.330 6.002 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(F)c(F)c2F)cc1 1875191782 DMJBWZDAWHFDJG-ONNFQVAWSA-N 446.808 5.881 30 10 IKEE Cn1nc(-c2ccc(Cl)cc2Cl)cc1C(=O)N1CCC(C#N)(c2ccccc2)CC1 1891308038 NJLRDEBXIHKCOO-UHFFFAOYSA-N 439.346 5.091 30 10 IKEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1892768364 VQLDEPSOHOABAT-CEYNDMKZSA-N 443.588 5.351 30 10 IKEE CCC1(NC(=O)OC(C)(C)C)CC(C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 1932475523 IRHJXWLGDZIREV-UHFFFAOYSA-N 429.561 5.153 30 10 IKEE C#CCCN(C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C)C(C)(C)C 1984724903 XNHMZLVZTCTQNZ-VWLOTQADSA-N 446.591 5.200 30 10 IKEE C[C@@H]1CC[C@](C#N)(N(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)[C@H](OCc2ccccc2)C1 1998816892 CCTLRVLLZCMJSJ-BBNRHVKASA-N 428.573 5.070 30 10 IKEE C=CC1(C[C@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)CCC1 2002626744 AVXIZQRCBAYKAC-PUHATCMVSA-N 430.633 5.600 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1cc(I)ccc1F 2003649062 FSCZZLRUJNILSG-FQEVSTJZSA-N 439.312 5.244 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@H](C#N)[C@]1(C)CCCN1C(=O)OC(C)(C)C 2020804999 VYRZHPYDGYDGPY-JPYJTQIMSA-N 433.524 5.249 30 10 IKEE CC(C)(C)OC(=O)N(C[C@H]1CCCO1)[C@H](C#N)c1cc(Cl)cc(Br)c1 2027901951 RZBVULBQUHFYOU-HZPDHXFCSA-N 429.742 5.083 30 10 IKEE CC(C)(C)OC(=O)NC1CCC([C@@](C)(C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)CC1 2027941612 SMMBFUQSBZTXOD-ZPHNUYGRSA-N 449.636 5.922 30 10 IKEE CCN[C@H](CC#CC1CCCCC1)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2035464740 HVUORYVKJMVFMJ-RPBOFIJWSA-N 442.644 5.439 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](O)c2ccc(Br)c(Cl)c2F)C1 2063050330 LKAAXBKAFYMTLE-OAHLLOKOSA-N 434.733 5.136 30 10 IKEE C#CC[C@H](C[C@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1)C1CC1 2076108087 UXQQALSOPBRCGQ-PQVVKJAFSA-N 442.644 5.293 30 10 IKEE Cc1ccc([C@@H](C(C)C)n2nc(C(C)C)c(C#N)c2I)c(F)c1F 2079874387 DMGJATNAKPFMDO-QGZVFWFLSA-N 443.279 5.315 30 10 IKEE CC[C@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)F)c(C=NO)c1Br 2079992478 DQSHNZYTAOFPLH-LLVKDONJSA-N 444.173 5.549 30 10 IKEE Cc1cc(O)c([C@@H](n2nc(C3CCC3)c(C=NO)c2Br)C(C)(C)C)cc1C 2079997414 CHZZOVRHWZSOSQ-LJQANCHMSA-N 434.378 5.679 30 10 IKEE Cc1cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)sc1Br 2082340445 ZOFBBEXMKSZZLJ-AWEZNQCLSA-N 425.323 5.965 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCC[C@@H]2CSC[C@H]21 2087832671 ABQQKHARFNWUNW-SXGZJXTBSA-N 437.403 5.616 30 10 IKEE CC1(NC(=O)OC(C)(C)C)CCC(Nc2ccc(C#N)c(Br)c2F)CC1 2106020874 XVTLADGTFRZEDX-UHFFFAOYSA-N 426.330 5.098 30 10 IKEE N#Cc1c(F)cc(Br)cc1Oc1ccc(Br)cc1Br 2107431476 PEZROEJAFHNYNW-UHFFFAOYSA-N 449.899 5.777 30 10 IKEE CC(C)[C@H]1CC=C(C(=O)c2cc(Br)ccc2I)CC1 2125179597 CNIOTZVOFIXJBX-NSHDSACASA-N 433.127 5.619 30 10 IKEE N#Cc1cc(F)c(NC2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)cc1Br 2145456436 QXUUSQKQDKCSSP-YQQQUEKLSA-N 428.349 5.457 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(CCC[C@@H]2Nc2ccc(C#N)c(Br)c2F)C1 2162323796 QIJOZJSIDIDTCO-YWZLYKJASA-N 438.341 5.051 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@]2(CNc3ccc(Br)cc3C#N)CCC[C@@H]12 2165298716 CATCDRIDSPSXJB-WIYYLYMNSA-N 434.378 5.302 30 10 IKEE Cc1cc(C)cc(CSc2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)c1 2172769146 SUDRZEVUAPQUKR-UHFFFAOYSA-N 434.208 5.052 30 10 IKEE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@@H](CNc2cc(Br)ccc2C#N)CC1 2178648976 ZAHIEEQNSLNADW-LDTOLXSISA-N 440.357 5.156 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H](C)CN(C(=O)OC(C)(C)C)[C@@H]2C)c1 2220389257 DMVXTSKKLMSVQF-RRQZXNHTSA-N 443.588 5.664 30 10 IKEE C=C(Cl)C[C@@H](NCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2221684504 KWNVWJDTJKFNQG-SJORKVTESA-N 431.802 5.006 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)C1(NC(=O)OC(C)(C)C)CC2(CC(C)C2)C1 2251274437 AYGKJTQQQJWXJN-DXQPFGFXSA-N 428.617 5.211 30 10 IKEE CCCN[C@@H](C#CC1CCCCC1)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2251414598 SPGCBVYZZRVMBU-ZEQRLZLVSA-N 428.617 5.048 30 10 IKEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CCN(Cc2ccccc2)C(C)(C)C1 2261819506 JPWXQFTVFLAAOR-MHZLTWQESA-N 437.580 5.064 30 10 IKEE CC1(C)CCC(C)(C)[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Br)c2)C1 2290247451 NWGPGMQSUUCIMV-JOCHJYFZSA-N 435.406 6.689 30 10 IKEE CCN1C(=O)C(=C2Sc3ccc(OC)cc3N2C)SC1=Nc1ccc(C)c(Cl)c1 2295203822 IRZMPEFICQNLLK-UHFFFAOYSA-N 445.997 5.651 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@](C)(CC)CNC(=O)OC(C)(C)C 2296216422 KICLEOJIGQUUQY-DENIHFKCSA-N 437.422 5.110 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](CC[C@@H](O)C#Cc2cccc(Br)c2)C1 2296223979 GAEFLWTYSRNZTR-SXLOBPIMSA-N 436.390 5.025 30 10 IKEE CCC[C@@]1(C(=O)C#Cc2ccc(Br)cc2)CCCCN1C(=O)OC(C)(C)C 2296230504 UMOBZMYCUJVCKH-QFIPXVFZSA-N 434.374 5.330 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)C(C)(C)[C@@H](C)NC(=O)OC(C)(C)C 2296291292 MYQVXQXNJDFSBL-APWZRJJASA-N 437.422 5.108 30 10 IKEE C=C(C)COc1ccccc1[C@H]1CC(=O)Oc2ccc3c(c21)OC(=Cc1cccnc1)C3=O 2297596114 OITGNENIPHFEMQ-HXUWFJFHSA-N 439.467 5.094 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@H]1C[C@@H]2CC[C@H]1CN(C(=O)OC(C)(C)C)C2 2298032893 DLLXNLKHUQZJGN-CJRSTVEYSA-N 428.617 5.021 30 10 IKEE Cc1cc(C=C2SC(=Nc3ccc(F)cc3)NC2=O)c(C)n1-c1ccccc1Cl 2313558077 SCHXCBFVPZENIY-UHFFFAOYSA-N 425.916 5.778 30 10 IKEE COc1ccc(-c2csc(NN=Cc3ccc(OCCCc4ccccc4)cc3)n2)cc1 2318418094 PEEPJKIBXUAFCN-UHFFFAOYSA-N 443.572 6.276 30 10 IKEE CCN[C@@H](C#C[C@@H](OC)C1CCCC1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2320502557 KAYPHDXNNSGENQ-JWQCQUIFSA-N 442.644 5.391 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(ccc(OCc4cc(C)ccc4C)c3C)C2=O)cc1 2321759988 TYFSPIYCSKLHLV-UHFFFAOYSA-N 441.571 6.653 30 10 IKEE Cc1c(OCc2ccc(Cl)cc2)ccc2c1OC(=Cc1c(F)cccc1Cl)C2=O 2321770832 HECGUWLGRLFUAV-UHFFFAOYSA-N 429.274 6.636 30 10 IKEE Cc1cc(OCc2ccc(Cl)cc2Cl)cc2c1C(=O)C(=CC=Cc1ccccc1)O2 2321787314 QUCBSNVOWKDBNS-UHFFFAOYSA-N 437.322 7.053 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(N(C)C)cc1)O3)CN(C1CCCCCC1)CO2 2322083077 IYLVOBYTWSUHMA-UHFFFAOYSA-N 432.564 5.552 30 10 IKEE CCCCCCCCCCN1COc2ccc3c(c2C1)OC(=Cc1ccc(F)cc1)C3=O 2322130922 QSPYUFPPQACUCH-UHFFFAOYSA-N 437.555 6.735 30 10 IKEE CCc1ccccc1NC(=O)COc1ccccc1C=CC(=O)c1ccc(OC)c(C)c1 2322408346 YSAPOYUJUPEVRQ-UHFFFAOYSA-N 429.516 5.480 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(Br)cc2)c1OCc1ccccc1F 2322427805 SYIRLBQBRPXNJG-UHFFFAOYSA-N 441.296 6.072 30 10 IKEE COc1cccc(C=CC(=O)c2cc(C)ccc2C)c1OCC(=O)Nc1cc(C)ccc1C 2322624101 NPEYYKXBZUWDIC-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE Cc1ccc(C)c(COc2ccc(Cl)cc2C=CC(=O)c2c(C)c(C)cc(C)c2C)c1 2322842761 FIKOAUMQCZDDQP-UHFFFAOYSA-N 432.991 7.666 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1Cl 2323310588 OCVVWBSUJORIRD-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE CCCNC(=O)COc1c(Cl)cc(C=CC(=O)c2ccc(CC)cc2)cc1OCC 2323472573 OJIRWOQCCVJMFS-UHFFFAOYSA-N 429.944 5.102 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)C=Cc4ccc(C(C)C)cc4)ccc3C2=O)cc1 2323502038 NJUOUOHEJBBOIN-UHFFFAOYSA-N 440.495 6.054 30 10 IKEE CCN(CC)C(=O)COc1c(Cl)cc(C=CC(=O)c2ccc(Cl)cc2)cc1OC 2323783255 DJYUEHIGXZRSQF-UHFFFAOYSA-N 436.335 5.145 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OCCc1ccccc1 2323959920 DSUZSSAHARBDPT-UHFFFAOYSA-N 426.556 6.558 30 10 IKEE Cc1ccc(C)c(COc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2Cl)c1 2324059574 WRLBGLHBELFOPD-UHFFFAOYSA-N 432.991 7.729 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc3ccccc23)cc(Br)c1OCC 2324141103 OCXYUBKSZZTQQT-UHFFFAOYSA-N 425.322 6.296 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OCc1ccc([N+](=O)[O-])cc1 2324151839 QNXPDKDBXBLADY-UHFFFAOYSA-N 439.467 6.232 30 10 IKEE CCOc1ccc(C=CC(=O)c2cc(OC)c(Cl)cc2OC)cc1Br 2324412238 GXJCJTLYAKLLBQ-UHFFFAOYSA-N 425.706 5.415 30 10 IKEE Cc1cccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccc(F)cc2)C3=O)c1C 2324498963 INHMCECNBVPHNQ-SFHVURJKSA-N 445.490 5.773 30 10 IKEE Cc1ccc(OCCOc2ccc3c(c2)OC(=Cc2ccc(-c4ccccc4)cc2)C3=O)cc1 2324537459 ZGWUVFAYNNFYLL-UHFFFAOYSA-N 448.518 6.736 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1C 2324627015 AYFMOISIUSNREF-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)ccc1OCc1ccc(Cl)cc1 2324672810 QCNFVFRHFMVFJZ-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE Cc1c(OCC(=O)Nc2cccc(Cl)c2)ccc2c1OC(=Cc1ccc(F)cc1)C2=O 2325717355 XGELWWGIHRASNZ-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1cccc(C=CC(=O)c2ccccc2Cl)c1 2325717851 ZMLMUGCXDZWWCD-UHFFFAOYSA-N 434.919 6.309 30 10 IKEE COc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)CCc1ccccc1 2325721666 RXCOBXSJJNDPFA-UHFFFAOYSA-N 431.444 5.038 30 10 IKEE Cc1ccc2oc(=O)cc(COc3ccc4c(c3)OC(=Cc3cccc(Cl)c3)C4=O)c2c1 2325741516 ZLAOVKOLWMWYHB-UHFFFAOYSA-N 444.870 5.950 30 10 IKEE CCOc1ccc(C(=O)Oc2cccc(C=CC(=O)c3cc(C)cc(C)c3OC)c2)cc1 2325757536 FMSDZTOMDVTDGW-UHFFFAOYSA-N 430.500 5.826 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2cccc(OC(=O)[C@@H](C)c3ccccc3)c2)c1 2325758413 MOPLODHULNCROS-FQEVSTJZSA-N 444.527 6.089 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)c2ccc(F)c(F)c2F)c1 2325782484 VQGWTXKGWIRBFH-UHFFFAOYSA-N 446.808 5.881 30 10 IKEE CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1cccc(F)c1 2325905750 YYNRIHSVBAYSLH-UHFFFAOYSA-N 426.561 5.596 30 10 IKEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)CN(Cc2ccccc2)C2(CCCCC2)C1 2326074931 ABWWITNNBYETMI-MUUNZHRXSA-N 432.608 5.497 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccccc1C(F)(F)F 2326306317 WLMANOBLGPGPPL-UHFFFAOYSA-N 432.515 6.122 30 10 IKEE Cc1cc(C)cc(CSc2nnc(C)n2N=Cc2ccc(OCc3ccccc3)cc2)c1 2326398830 ZDKXZZKAHJAVJK-UHFFFAOYSA-N 442.588 5.957 30 10 IKEE CCCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1cc(OC)ccc1OC 2328075474 VCWFOPWUQRHBBQ-UHFFFAOYSA-N 444.988 5.118 30 10 IKEE C=CCOc1ccccc1C=Nn1c(COc2cccc(C)c2C)nnc1SCC=C 2328857499 DODLOUVXTGFAGR-UHFFFAOYSA-N 434.565 5.199 30 10 IKEE Cc1ccc(CCc2nnc(SCc3cccc(F)c3)n2N=Cc2ccccc2)cc1C 2328937200 YGCQIMVFEKTAHX-UHFFFAOYSA-N 444.579 5.994 30 10 IKEE C(=Nn1c(CC2CCCCC2)nnc1SCc1cccc2ccccc12)c1ccco1 2330279487 OAOKYTBIGMDUOG-UHFFFAOYSA-N 430.577 6.322 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCc3ccccc3)nnc2-c2cccs2)cc1 2330582202 FISIAINVRGZBKB-UHFFFAOYSA-N 447.633 6.027 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)c1ccc(-c2ccccc2)cc1 2330596506 FCUJWLIHXQAKFL-UHFFFAOYSA-N 449.462 6.377 30 10 IKEE O=C(COc1ccc(Cl)cc1)Oc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1 2330621423 KIXFZEGYMXLLAJ-UHFFFAOYSA-N 437.835 5.129 30 10 IKEE CCOc1cc(C=Nn2c(SCc3cccc(C)c3)nnc2-c2ccccc2)ccc1O 2330647889 FZTPXMJSVWBMCE-UHFFFAOYSA-N 444.560 5.532 30 10 IKEE CC(C)(C)Cc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1cccs1 2330858258 UODMBAIKTAHIQU-UHFFFAOYSA-N 439.437 6.410 30 10 IKEE Cc1ccccc1CSc1nnc([C@H]2CCCO2)n1N=Cc1c(F)cccc1Cl 2330895919 FVJBRZGVOGVWBN-LJQANCHMSA-N 430.936 5.405 30 10 IKEE Fc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2[C@@H]2CCCO2)c(F)c1 2330990087 GIRRWOSCNGXHFC-SFHVURJKSA-N 434.899 5.236 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2F)c(Cl)c1)c1ccc(Cl)c(Cl)c1 2331242378 VFSWYTACDMEGTG-UHFFFAOYSA-N 449.692 6.901 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)c(Cl)c2)c1 2331320307 XAOKYUSHBWGCRP-UHFFFAOYSA-N 446.974 7.370 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)c1 2331381219 YCTCTPBHBPEHDQ-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE CCc1ccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C(C)(C)C)cc1 2331400729 NZLYHGCUPYPUSR-UHFFFAOYSA-N 447.435 6.619 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc3ccccc23)cc(OC)c1OC(=O)C1CCC1 2331485078 OHOMFAUPEVBGJT-UHFFFAOYSA-N 426.512 6.179 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)CCOc3ccccc3)c(Cl)c2)cc1 2331494038 BDQVTWRTIKHFPO-UHFFFAOYSA-N 448.946 6.734 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cc(Cl)cc(C)c3OC)cc2)cc1 2331752356 DHGRDCJNSZKWCN-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE CC(C)(C)OC(=O)N[C@H](COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C(C)(C)C 2339585353 NZPYUQIILVEIKJ-GOSISDBHSA-N 446.397 5.044 30 10 IKEE CC1(C)OB(c2ccc(CSc3ccccc3Cl)cc2Br)OC1(C)C 2349808049 QEKOGKJAQKSNKD-UHFFFAOYSA-N 439.611 5.694 30 10 IKEE CC1(CNc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN(Cc2ccccc2)CC1 2365113119 DWUXGMBVRQXLAZ-DTQAZKPQSA-N 447.432 5.440 30 10 IKEE Cc1cc(CNCc2ccccc2OCc2ccccc2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369680792 WBQXCLFXSYBGMF-UHFFFAOYSA-N 443.396 5.163 30 10 IKEE N#Cc1ccc(N2C(=S)C3(CCCCC3)[C@@H](N3CCCC3)/C2=N\C2CCCCC2)cc1 15861764 HYJDMDBZIMBCOQ-OSQOMCJFSA-N 434.653 5.852 30 10 IKEE CCOc1ccccc1/C=C1\CC(c2ccccc2)C/C(=C\c2ccccc2OCC)C1=O 20115628 PUXRTJPMINDFRP-BFNWXZRRSA-N 438.567 7.098 30 10 IKEE COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)c1O 20882011 KNEJCWFDMKBFRX-PUAOIOHZSA-N 430.479 5.519 30 10 IKEE CN(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2Cl)cc1 21232001 GTUNUNQAFQMPIE-XRHLQHRESA-N 443.978 6.386 30 10 IKEE COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2c(F)cccc2Cl)c1 21260362 GOOUKOOCYRUABL-DXPJPUQTSA-N 448.925 6.467 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C/c1ccccc1Br)C2=O)c1cccs1 33402145 BDDOOEWSJSHCBG-LICLKQGHSA-N 427.275 5.346 30 10 IKEE COc1cc(/C=C\c2cc(-c3ccccc3)n3c(nc4ccccc43)c2C#N)cc(OC)c1 33499576 UILJSONZIPIMSH-SEYXRHQNSA-N 431.495 6.214 30 10 IKEE Cc1cc(C)c(-c2nn(-c3ccccc3)cc2/C=N/Nc2oc(C(C)C)nc2C#N)c(C)c1 33959120 VWXUFLIKZAEXJY-CCVNUDIWSA-N 438.535 5.894 30 10 IKEE C=CCN(CC(=O)Nc1nc(-c2ccc(C)cc2)cn1-c1ccc(C)cc1)C(=O)CC(C)C 36051364 BYDFHLKSDOKLBR-UHFFFAOYSA-N 444.579 5.155 30 10 IKEE O=C(C[C@@H]1S/C(=N/c2cccc3ccccc23)NC1=O)c1ccc(Br)cc1 39843296 BHADWHHDMCXMJL-IBGZPJMESA-N 439.334 5.094 30 10 IKEE C=CCOc1cccc([C@H]2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2CCCCC)c1 39912027 RJELBGHLYDAITB-VWLOTQADSA-N 445.563 5.699 30 10 IKEE C=CCc1ccc(OCCCCn2c([C@H](C)N3CCCC3)nc3ccccc32)c(OC)c1 39917002 ANBXHHNRXXQOEF-NRFANRHFSA-N 433.596 5.789 30 10 IKEE Cc1c(OC(=O)c2cc3ccccc3o2)ccc2c1O/C(=C\c1cn(C)c3ccccc13)C2=O 41352512 GNVWTXUKQXJFMJ-OYKKKHCWSA-N 449.462 6.068 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3c(ccc(OCc4cc(C)ccc4C)c3C)C2=O)c1 41433495 GMKURPXVRJGKCK-QFEZKATASA-N 430.500 5.824 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc3c2CN(CCc2ccc(F)cc2)CO3)C1=O 41656170 ONMCFIQWLDEAMV-MYYYXRDXSA-N 445.490 5.235 30 10 IKEE Oc1c(Cl)cc(Cl)cc1/C=N/c1ccccc1OC(F)(F)[C@@H](F)C(F)(F)F 59371563 MSDUGGXJGYRTMY-ZIXUGVCISA-N 432.147 6.322 30 10 IKEE Cc1cc(C)cc(/N=C2\NC(=O)/C(=C\c3ccc(N(C)C)c(Br)c3)S2)c1 83310196 IRVYREFMGMQWIV-WOJGMQOQSA-N 430.371 5.024 30 10 IKEE CCCCCCCCCCCCCCCCCCOC(=O)/C=C\c1ccc(O)c(O)c1 95913975 QYVZEPLDLPYECM-VZCXRCSSSA-N 432.645 7.916 30 10 IKEE biogenic,in-vitro N#Cc1cccc(CSc2ncnc3scc(-c4ccc(Br)cc4)c23)c1 96534843 MUSKJVCOMMGPEY-UHFFFAOYSA-N 438.375 6.285 30 10 IKEE CCCCCCCOc1ccc([C@]2(C)Nc3ccccc3C(=O)N2Cc2ccccc2)cc1 100139938 WNVAORMANLAAAR-GDLZYMKVSA-N 442.603 6.977 30 10 IKEE CCCCCCCOc1ccc(NC(=O)c2ccc(OCCC)c(Br)c2)cc1 100183790 YRXKTBKQOCBEIW-UHFFFAOYSA-N 448.401 6.839 30 10 IKEE CC(C)CCOc1ccc(C(=O)N(CCC#N)CCc2ccccc2)cc1Br 100438060 HMRBAPLAODTATC-UHFFFAOYSA-N 443.385 5.473 30 10 IKEE CCCCCCCCOc1ccc(OCC(=O)Oc2ccc(Oc3ccccc3)cc2)cc1 100972675 QLGHUMVSYUFVEA-UHFFFAOYSA-N 448.559 7.203 30 10 IKEE COCCN1C(=O)/C(=C/c2c(OC)ccc3ccc(OC)cc23)S/C1=N/c1ccccc1 101695627 LPEWYPMWXQNSGF-IVCURSBOSA-N 448.544 5.107 30 10 IKEE CCCCCCCCn1c(CCCCCNC(=O)c2ccccc2C)nc2ccccc21 102165775 YSSWLDMMDPRILN-UHFFFAOYSA-N 433.640 6.848 30 10 IKEE O=S(=O)(/N=C(\SC(=S)c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 104592429 FGCAWINSZOLPHC-QOCHGBHMSA-N 431.991 5.584 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2cccc(C)c2C)c1 169933577 HLJJUCYLXWYHCN-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccc(OC)c2)c1 169934496 QXCKDBDFQSNYQY-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE CCCCCCCCCOc1ccc([C@H]2NN=C3CCN(CCC)C[C@@H]32)cc1OCC 169942728 NBSUTJSEBMIYTD-BKMJKUGQSA-N 429.649 5.947 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(OC(C)C)cc1 169978986 ZKTZINQLWDQFAW-QHCPKHFHSA-N 437.536 5.251 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccccn2)c1 169990653 CDOUEOOVELRYDK-HSZRJFAPSA-N 440.455 5.009 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2cccnc2)cc1C 170005387 LUPORPRDMMUEEC-JOCHJYFZSA-N 432.907 5.443 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2ccncc2)c(C)c1 170019245 ARSLSUQSBMGXDB-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@H]2c2ccncc2)cc1 170022260 VMIKJCSLVHUCEM-QFIPXVFZSA-N 448.906 5.225 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccc(C)cc2)c1 170036841 CMAXVRFUXBACBP-HSZRJFAPSA-N 447.918 5.830 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2c[nH]c3ccccc23)cc1 170074502 CEHLXQKRICQTMI-XMMPIXPASA-N 438.483 5.268 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2sccc2C)cc1C 170106061 ODIPYVGULQTFQS-QFIPXVFZSA-N 442.540 5.938 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CCOC(C)C)c1 170139852 BOWKFBZWQVMDTQ-HXUWFJFHSA-N 448.346 5.305 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2C2CCCC2)c1 170148546 ZPUGUOGOLWRPOV-FQEVSTJZSA-N 440.337 5.278 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2cccs2)cc1 170158852 IHWBDTAPKHUAMI-JOCHJYFZSA-N 433.529 5.547 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccncc2)cc1C 170206409 CSBDRKGREVBORV-DEOSSOPVSA-N 442.515 5.270 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@H]1c1cccc(OCC)c1 170218567 GMOOEYXPFXGSAK-JOCHJYFZSA-N 441.499 5.002 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccccc2)cc1C 170225665 KLRPQRDWDUULDI-VWLOTQADSA-N 441.527 5.712 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2)ccc1Cl 170227039 PSTPBKHTWZLNBW-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)cc(Cl)c2OC)[C@@H]1c1ccccc1 170232926 LKZYFHAYINCRST-IBGZPJMESA-N 448.346 5.771 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2OC)[C@@H]1c1ccc(Cl)cc1 170236629 CIXPYPNYLMGXKI-NRFANRHFSA-N 443.927 5.126 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@H]1c1ccccc1F 170253398 DAQHTHDDJIMIBC-HXUWFJFHSA-N 445.918 5.565 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2cccc(O)c2)cc1 170257854 NBFJYPYFXCLBOP-QHCPKHFHSA-N 447.462 5.103 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccc(O)c2)cc1Cl 170259835 UHJKLGQELBUGHW-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccco1 170279817 LUCWLFHIAPRKHC-OAQYLSRUSA-N 435.545 5.726 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(Cl)c3)[C@H]2c2ccco2)c1C 170285986 HRRRRSIFAGRDJX-HXUWFJFHSA-N 442.298 5.986 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2ccc(F)cc2)o1 170299783 AAIZCIPSKSCZIN-HSZRJFAPSA-N 427.431 5.663 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CCC)c1 170323619 QYDWTWMIFNBDLD-HXUWFJFHSA-N 448.346 5.771 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 170342188 BZQKHFFEQKBVOR-VWLOTQADSA-N 440.543 5.624 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2c(C)[nH]c3ccccc23)cc1 170403634 XHBKLBWVVKUMCK-XMMPIXPASA-N 437.499 5.217 30 10 IKEE C=C(C(=O)Nc1ccccc1)[C@@H]([C@@H](O)CCCCCCCC)S(=O)(=O)c1ccccc1 196948188 UEOVPIUCXLDGGD-ZEQRLZLVSA-N 443.609 5.135 30 10 IKEE C=CCn1c(SCCC(=O)Nc2ccccc2C)nnc1C12CC3CC(CC(C3)C1)C2 253573859 RXHMLFPMMJONGS-UHFFFAOYSA-N 436.625 5.361 30 10 IKEE CCN(CC)C(=S)SCC(=NN(c1ccccc1)c1ccccc1)c1ccccc1 254617391 OAAMKNVORXRUGC-UHFFFAOYSA-N 433.646 6.589 30 10 IKEE CCOc1ccc([C@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1Cl 526520887 IYWDFWXWZFBKQQ-DEOSSOPVSA-N 444.918 5.976 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(N(C)C)cc2)c1 526606871 PAYIRWUDNKYJFE-RUZDIDTESA-N 439.515 5.080 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccc(OCC(C)C)cc1 526817837 ZVUUZOVKIICYLD-ROTLSHHCSA-N 446.979 5.842 30 10 IKEE CCCOc1ccc(/C=N\n2c(CC)nnc2SCc2cc(C)ccc2C)cc1Cl 526818462 KFCADPBGZUPNEA-QFEZKATASA-N 443.016 6.074 30 10 IKEE COc1c(Cl)cc(/C=N\n2cnnc2SCc2cccc3ccccc23)cc1Cl 526820081 JVKFZJYOSWQINZ-GATIEOLUSA-N 443.359 5.921 30 10 IKEE CC(C)Oc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)[C@@H]2CCCC[C@@H]2C)cc1 586148965 BNZMLIYGGFMXLO-YADARESESA-N 426.582 5.115 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]([C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 698830432 VMTSGHKLFYNGKC-WAIKUNEKSA-N 449.979 5.621 30 10 IKEE CC(=NNc1nc(SCC(=O)Nc2ccc(C)cc2C)n[nH]1)c1ccc2ccccc2c1 1083947614 VNECGDDHJYZOJK-UHFFFAOYSA-N 444.564 5.142 30 10 IKEE CCOc1cccc(C=Nc2cc(C(F)(F)F)ccc2Oc2ccc(Cl)cc2)c1O 1083950254 GLNVKKZDDYKEOK-UHFFFAOYSA-N 435.829 7.006 30 10 IKEE O=C1/C(=C\c2ccc(Cl)cc2)S/C(=N/N=C/c2ccc(O)cc2)N1Cc1ccco1 1615300576 PDOVIQGBJXRZLU-SGOVDTOHSA-N 437.908 5.145 30 10 IKEE CC(C)c1sc(NC(=O)CN2CCC(c3ccc(C#N)cn3)CC2)nc1-c1ccccc1 1620450260 ODJPVAQXBZEDHQ-UHFFFAOYSA-N 445.592 5.018 30 10 IKEE CCN1C(=O)/C(=C/c2cccc(OCc3ccc(C)cc3)c2)SC1=Nc1cccnc1 1772731772 QDVCHOORNYNVNU-YOIRLTMBSA-N 429.545 5.593 30 10 IKEE O=C1/C(=C/C(Cl)=C/c2ccccc2)SC(=Nc2nccs2)N1C1CCCCC1 1772732978 GFUPSPWZRYUOGA-KFQLJIPYSA-N 429.998 6.203 30 10 IKEE Cc1csc(N=C2S/C(=C\C(Cl)=C\c3ccccc3)C(=O)N2C2CCCCC2)n1 1772739442 RNWMDWADDUITQQ-GPBXXIHCSA-N 444.025 6.511 30 10 IKEE Cc1ccc(S(=O)(=O)O[C@H]2CC[C@@]3(C)C(=CC[C@@H]4[C@@H]3CC[C@]3(C)C(=O)C=C[C@@H]43)C2)cc1 1848437769 WIYABVPBJKGEFD-ZCQFWUSASA-N 440.605 5.377 30 10 IKEE Cc1cc(C(=O)Nc2c(C#N)cnn2-c2cc(C)c3cccc(C)c3n2)c2cccc(C)c2n1 1859656872 GMZRRKWAYKSMSV-UHFFFAOYSA-N 446.514 5.326 30 10 IKEE CC[C@H](C)N(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)c(F)c1F 1859922096 MCROLXSXMDTKIW-VIFPVBQESA-N 443.309 6.587 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCSC)NC(=O)c1cccc(OCC)c1 1861347440 LCUXXBIDLTVJKZ-QFIPXVFZSA-N 436.662 5.194 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccccc1 1862429711 SWTPEGYYUFDQIX-GCJKJVERSA-N 425.956 6.277 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCC(C)C)cc1 1862436578 WUTCOYJNPXSDRZ-NRFANRHFSA-N 427.928 5.363 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862444659 DCTKPARQNRKZEW-MZNJEOGPSA-N 445.946 6.242 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1cccc(OCC)c1 1862460662 YQDAQERLIAYZTA-OAQYLSRUSA-N 447.453 5.271 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccccc1Cl 1862470086 FOBOOSSRMCMGKT-KRWDZBQOSA-N 434.717 5.089 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(Cl)cc3)[C@H]2c2ccccc2C)cc1 1862475938 XTTMHIGOQFBBMS-DEOSSOPVSA-N 445.946 5.778 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(OCCCC)c(OC)c1 1862499877 RXWLBQLIMBNXKN-XMMPIXPASA-N 449.547 5.255 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccccc2)cc1 1862507790 UKKBWKCTBNWRAX-DEOSSOPVSA-N 429.491 5.264 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@@H]2c2cccc(O)c2)cc1 1862533625 MZNXCYSRAOXWAS-HSZRJFAPSA-N 447.918 5.387 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc(OC)cc2)cc1 1862536224 UJISEKHFIVKFAG-VXWZWFMZSA-N 433.548 5.415 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(C(C)(C)C)cc1 1862584769 HEWGVXABNLZXPY-HXUWFJFHSA-N 444.358 6.055 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862623696 VVLUQYGJFRSZHF-FQEVSTJZSA-N 445.481 5.991 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccc(OC)c1 1862663023 NGLHTJZEZVYNMQ-XMMPIXPASA-N 435.564 5.977 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2ccco2)c1 1862664448 JHXKCVDVUHQGFM-DEOSSOPVSA-N 445.515 5.580 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@@H]1c1cccc(F)c1)c1ccc(F)cc1 1862674246 UHFSTZWNCSSXPD-HSZRJFAPSA-N 433.454 5.176 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(C(C)C)cc2)c1 1862701458 FOBOUDGHLURZFA-RUZDIDTESA-N 447.575 6.120 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(CC)cc1 1862703703 XTBAFWFDNUIQAD-RCZVLFRGSA-N 449.591 6.195 30 10 IKEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(C)cc1 1862712975 FAPYEOFQWMTYSK-VWLOTQADSA-N 442.559 5.068 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCC(C)C)c1 1862714627 FFULNMDFQMSZNL-XMMPIXPASA-N 429.516 5.473 30 10 IKEE COc1ccccc1NC1=C(c2cccc3ccccc23)C(=O)N(c2cccc(C#N)c2)C1=O 1862850220 NETJUFVKGFHJEL-UHFFFAOYSA-N 445.478 5.117 30 10 IKEE CCCCc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3cc(C)ccc3C)C2=O)cc1 1863022348 JCGUFBWTVIEKQH-UHFFFAOYSA-N 449.554 5.914 30 10 IKEE N#Cc1ccccc1NC1=C(c2cc(Cl)ccc2Cl)C(=O)N(C2CCCCC2)C1=O 1863392249 WIAWCCNOOHLIGW-UHFFFAOYSA-N 440.330 5.390 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C)cc2C)=C(c2ccc(F)c(C)c2)C1=O 1863461881 KNGMEJLVIATOMO-UHFFFAOYSA-N 436.571 6.303 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccc(C)cc2)=C(c2cc(C)ccc2C)C1=O 1863741854 UHIWTCUIRIKGGX-UHFFFAOYSA-N 432.608 5.842 30 10 IKEE C=CCN(CC=C)c1cc(N2CCO[C@H](c3ccc(Cl)cc3)C2)nc(C(C)(C)C)n1 1869188546 USVHSMSGBUEKOH-FQEVSTJZSA-N 426.992 5.184 30 10 IKEE CCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSc1nc2ccccc2s1 1870233453 QGWWLSXUXJZKFT-UHFFFAOYSA-N 447.585 5.611 30 10 IKEE CCCCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CN(CCC)CCCC 1870352719 HJVRKCACNUJWET-UHFFFAOYSA-N 448.736 7.426 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(Cl)c(Cl)c2)cn1CCC(C)C 1870405560 UXQBCLYKHQSTQO-UHFFFAOYSA-N 449.422 5.954 30 10 IKEE C=CCOc1cn(CCCCc2ccccc2)c(CNc2ccc(Cl)c(C)c2)cc1=O 1870809484 FUSUKKRPHYRZJM-UHFFFAOYSA-N 436.983 6.010 30 10 IKEE CCCCCCCOc1cn(Cc2cccc(C)c2)c(CNc2ccccc2C)cc1=O 1870836315 VPRBKRZDCYGHGK-UHFFFAOYSA-N 432.608 6.475 30 10 IKEE CCCCC[C@H](CC)N1COc2ccc3c(c2C1)O/C(=C\c1cccc([N+](=O)[O-])c1)C3=O 1871347772 UWLGETDVMFKQEU-PVFDWLMNSA-N 436.508 5.722 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(ccc4c3CN([C@H]3CCCC[C@@H]3C)CO4)C2=O)cc1 1871351051 IBLMHGMXZTYJSH-PZXROFNFSA-N 446.591 5.880 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)C(Cl)(Cl)Cl)cc(C)c3C2=O)cc1 1871365974 LKHMOFORQTZXIB-SXGWCWSVSA-N 441.694 5.286 30 10 IKEE Cc1cc(OC(=O)/C=C/c2ccc(C(C)C)cc2)cc2c1C(=O)/C(=C/c1ccncc1)O2 1871380079 VJHNNJDBTROGGA-VVJZKVHRSA-N 425.484 5.748 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(CN4CCCc5ccccc54)c(O)cc(C)c3C2=O)cc1 1871394938 AFKZERKFGGAQDO-XYGWBWBKSA-N 441.527 5.668 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(O[C@@H](C)C(=O)Nc3ccc(F)cc3)cc(C)c2C1=O 1871401200 WFNOSOUHZUOWGJ-YOBACFSGSA-N 447.462 5.165 30 10 IKEE Cc1c(Cl)cccc1NC(=O)[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccco1)C2=O 1871405406 DEKDZEVVOSPEAV-RANIVTSPSA-N 437.879 5.572 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OCC(=O)Nc3cccc(Cl)c3C)c2C)C1=O 1871427899 YLVGQWDJWNHACZ-QRVIBDJDSA-N 447.918 5.899 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1ccc2c(c1C)O/C(=C\c1ccc(C)o1)C2=O 1871429832 ZNJYVCDJCNUMNV-AREJXAQWSA-N 426.509 5.794 30 10 IKEE CCOc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871452198 JMARCINLNNFAMG-QRVIBDJDSA-N 449.890 5.372 30 10 IKEE CCc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2OC)C3=O)cc1 1871454039 FVJBMXHHUCBUNL-IWIPYMOSSA-N 443.499 5.200 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(OCC)cc2)[nH]c(N2CCCC2)n1 1871533075 GIPKJNQBVPJGPD-UHFFFAOYSA-N 440.636 5.589 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 1871875161 CPZWJXBXXNHZCT-OAQYLSRUSA-N 434.989 5.023 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cc(C)cc(C)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872004609 QYRQWSHSQRWCIK-URXFXBBRSA-N 442.625 5.232 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1cc(C)ccc1C 1872089663 UWROXYORXQSPPX-QHCPKHFHSA-N 442.625 5.240 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)[C@H](C)CC)S(=O)(=O)CC 1872340399 XXQLWGQIYYDFQY-XXBNENTESA-N 436.662 5.514 30 10 IKEE C=CCNC(=O)c1ccc2nc(-c3cccc(OC)c3OCc3ccccc3Cl)[nH]c2c1 1872731520 YPBVNXOGWYBPEQ-UHFFFAOYSA-N 447.922 5.387 30 10 IKEE COc1ccccc1-c1csc([C@H](C#N)C(=O)COc2cc(Cl)ccc2Cl)n1 1872763623 QLPFLLXZICPWPY-CQSZACIVSA-N 433.316 5.381 30 10 IKEE COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1OC 1872765432 OSDWTDRTPNDRRT-OAHLLOKOSA-N 443.322 5.080 30 10 IKEE COc1ccc(Cl)cc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872768761 BLLJOJXARPRELJ-ZDUSSCGKSA-N 437.735 6.269 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccc(Cl)cc3)n2)cc1F 1872774856 DMDSYTRKEDMRJE-LRDDRELGSA-N 430.888 5.255 30 10 IKEE CCc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc1 1872779515 LIMOZPOSBBSUNW-GOSISDBHSA-N 426.488 5.686 30 10 IKEE CCc1ccccc1N1CC(=O)C(c2nc(-c3ccccc3)c(-c3ccccc3)s2)=C1N 1872796175 OFVIPQPTZSUHTD-UHFFFAOYSA-N 437.568 5.756 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC(C)C)=C(c2ccc(-n3cccc3)cc2)C1=O 1873035378 AOOKDVDAOPEGBM-UHFFFAOYSA-N 435.612 5.696 30 10 IKEE CCCCCCCCCCNC1=C(c2cccnc2)C(=O)N(Cc2ccc(C)cc2)C1=O 1873077447 ZVQVGZPVPLDTLM-UHFFFAOYSA-N 433.596 5.400 30 10 IKEE CCCCCCCCNC(=O)c1cc2c(N(CC)CCCC)ncnc2n1CCCOC 1873588936 GSBCXPMPWWXCTR-UHFFFAOYSA-N 445.652 5.185 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)cc2C)cc2c(N(C)Cc3ccccc3)ncnc21 1873660355 IRELDJNJGNKNCG-UHFFFAOYSA-N 425.536 5.123 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(CCCC)cc2)cc2c(N3C[C@@H](C)C[C@H](C)C3)ncnc21 1873664978 BIJFLAUIQQSGEN-PMACEKPBSA-N 445.611 5.695 30 10 IKEE CCCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1cccs1 1874203365 YIHOGQTVCKLNAB-OEAKJJBVSA-N 428.627 5.909 30 10 IKEE CCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccccc1Cl 1874213123 WNTGUWVCZUOXHZ-OEAKJJBVSA-N 435.380 5.591 30 10 IKEE Cc1ccccc1CSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1cccnc1 1874262897 WPEGLMHUMVAKTQ-VULFUBBASA-N 449.967 5.388 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2/N=C/c2ccccc2[N+](=O)[O-])CC1 1874287609 NPTBHOCWDJCRJB-XQNSMLJCSA-N 429.590 6.035 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3cc(C)ccc3C)n2/N=C/c2ccco2)cc1 1874303350 UVDSQKCZCYGORX-WGOQTCKBSA-N 446.576 5.652 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCc3ccccc3C)nnc2[C@@H](C)c2ccccc2)c1 1874392700 RVLPAUQXEUXAQL-BJRSOBTISA-N 442.588 5.927 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccccc1O 1874399272 LEKFIFZRXJKNQN-AEIQVQRHSA-N 448.979 5.963 30 10 IKEE CCCSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1cc(Br)ccc1O 1874399448 PSBHFTNRHGTOPP-CYGNYLSHSA-N 445.386 5.282 30 10 IKEE Fc1cccc(Cl)c1/C=N/n1c(Cc2cccs2)nnc1SCc1ccccc1 1874412127 DDRBJYJYRVMLFT-ZMOGYAJESA-N 442.972 5.897 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2ccc(Cl)cc2)c1 1874445857 MRRUIWSAAZWBCD-AFEQLLIESA-N 426.973 5.574 30 10 IKEE CCOc1cc(/C=N/n2c(SCc3ccccc3C)nnc2C2CCCC2)ccc1O 1874452507 YYTUNIAGFRXWQN-MFKUBSTISA-N 436.581 5.523 30 10 IKEE Cc1cccc(CSc2nnc(CC(C)C)n2/N=C/c2ccc(Br)cc2)c1 1874489478 UUQUHYZYVQVTOK-YDZHTSKRSA-N 443.414 5.722 30 10 IKEE Cc1cccc(CSc2nnc(C(C)C)n2/N=C/c2cc(Br)ccc2F)c1 1874511610 HBYOUULGOALBAY-FOKLQQMPSA-N 447.377 5.786 30 10 IKEE CCCCOc1ccc(/C=N/n2c(C)nnc2SCc2ccccc2F)cc1OCC 1874532256 CRBZERORQYKVAL-MFKUBSTISA-N 442.560 5.478 30 10 IKEE CCOc1cc(/C=N/n2c(S)nnc2CCc2ccccc2Cl)ccc1OC(C)C 1874566462 XRAIHKYBYWCBJR-ZVHZXABRSA-N 444.988 5.074 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCc2ccc(F)cc2)c1 1874572376 KBJBTBJBJQZDMC-DHZHZOJOSA-N 426.871 5.971 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OC)c1OCc1ccc([N+](=O)[O-])cc1 1874580883 KKMQWSQREBWPAN-JLHYYAGUSA-N 433.460 5.396 30 10 IKEE COc1cc(C(=O)/C=C/c2cc(Br)cc(OC)c2OC)c(OC)cc1Cl 1874587434 MONAGONERLHSEZ-AATRIKPKSA-N 441.705 5.033 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cccc(OC)c2OCc2ccccc2)c1 1874587601 VLAWBJJFHIGSCL-JQIJEIRASA-N 432.516 5.968 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C)c(C)c2)c1OCc1ccc(Cl)cc1Cl 1874588094 UNOXKOBAIXFUQK-ZRDIBKRKSA-N 441.354 7.094 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1OCc1ccc(C)cc1 1874595091 UCCBWZNWDVMGKI-ZRDIBKRKSA-N 437.333 6.241 30 10 IKEE CCCOc1c(OC)ccc(/C=C/C(=O)c2cc(Cl)ccc2OC)c1Br 1874601135 VXKBWKBHKFCDOD-VMPITWQZSA-N 439.733 5.805 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3F)c(OCC)c2)cc1 1874607077 ALVJOSJVYRPCJH-GHRIWEEISA-N 432.535 7.042 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3cccc4ccccc34)c(OC)c2)cc1C 1874607730 CLYUBIFLCKNBGC-SDNWHVSQSA-N 438.523 6.641 30 10 IKEE O=C(/C=C/c1ccc(OCc2c(F)cccc2Cl)c(Cl)c1)c1ccc(F)cc1F 1874612033 YAAFUIKBAFZFSI-XBXARRHUSA-N 437.244 6.886 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OCC(=O)Nc1cc(C)ccc1C 1874614325 FSTARMZRIMYZDV-OUKQBFOZSA-N 445.515 5.234 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2F)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 1874615541 DBCXRHBARGDUFQ-WEVVVXLNSA-N 446.261 6.516 30 10 IKEE CCc1ccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 1874692485 JKHAUNIFSHTMEN-FYWRMAATSA-N 429.472 5.592 30 10 IKEE COc1cccc(C(=O)/C=C/c2cccc(OC(=O)[C@H]3C[C@H]3c3ccccc3Cl)c2)c1 1874695053 IWHJKRCDISVPSD-VMLKDKMFSA-N 432.903 5.954 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2ccccc2OC)cc1OC(=O)CC(C)C 1874698673 IVWODBWTTOJXQO-MDZDMXLPSA-N 447.325 5.314 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCCOc3ccccc3)c2)cc1 1874701144 DRCDZDLTJBNQKI-QGOAFFKASA-N 430.500 5.746 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3cccc4ccccc34)c2)cc1 1874706018 LPRKEZULCBICMC-XMHGGMMESA-N 448.562 7.182 30 10 IKEE C=CCN(CC=C)CCC(=O)c1ccc(NC(=O)COc2cc(Cl)ccc2Cl)cc1 1874752495 FMAYZKTWAWUYPN-UHFFFAOYSA-N 447.362 5.258 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccccc2OC)CSc2nnc(C3CCC3)n21 1874883938 UBSQBHDWRKUFIK-HXUWFJFHSA-N 442.629 5.616 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(Cl)c1OC(=O)c1cccnc1 1875101143 OVHWEVMOTVYITD-FMIVXFBMSA-N 435.907 5.811 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2OCC)cc1 1875128759 SVCJJBAEGBBIPW-GHRIWEEISA-N 444.527 5.918 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)COCc1ccccc1 1875139835 CIORHYMPYUZVPT-ACCUITESSA-N 430.500 5.330 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccnc2)c(Br)c1)c1ccc(F)cc1 1875158054 CGYWCWJSVAQXBM-YCRREMRBSA-N 426.241 5.099 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)C3CC3)c(OC)c2)cc1 1875161222 FXCJZBOHULOUAF-LZYBPNLTSA-N 436.548 6.256 30 10 IKEE CCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)cc1OC 1875168127 TUKQGJMWTRQNNB-VOTSOKGWSA-N 439.291 5.231 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1 1875170698 METXGBMFPVDRKP-ONNFQVAWSA-N 449.434 5.475 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2Cl)cc1C 1875175636 ZGXMQTVLRURYSV-DHZHZOJOSA-N 432.947 6.618 30 10 IKEE N#Cc1ccnc(OC[C@H]2CCCN(C(=O)[C@H](Sc3ccccc3)c3ccccc3)C2)c1 1891478390 OAJQYWJAVJXVCB-SQJMNOBHSA-N 443.572 5.104 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C=CC(=O)Cc2ccc(F)cc2Br)cc1 1911990849 HZAAUMDWDNFZHL-UHFFFAOYSA-N 434.305 5.760 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@]1(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 1912199171 PGELNNXOQWUAKG-IERDGZPVSA-N 436.557 5.044 30 10 IKEE C=C(COCc1ccccc1)[C@H](Cc1ccccc1CNC(=O)OC(C)(C)C)NCCC 1922081112 UPPBWQNKESXKQY-VWLOTQADSA-N 438.612 5.395 30 10 IKEE C=C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)([C@H](CCC)C(=O)O)C(C)(C)C 1927519820 HKVVKEQIYVDQLT-YIXXDRMTSA-N 435.564 5.997 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 1944735974 IWXHRHDHZQCCMF-OALUTQOASA-N 433.524 5.249 30 10 IKEE C=C(C(=O)O)[C@@H](CCc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 1951600149 IKMWCFUARPTHTI-RUZDIDTESA-N 427.500 5.167 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NC)c1ccc(Br)c(Br)c1 1959980325 HOKWOYAHLWEQBO-GOSISDBHSA-N 425.164 5.245 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)C1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 1997652684 OJTHNYUTSXQQTD-ROUUACIJSA-N 435.609 5.341 30 10 IKEE CN(C(=O)OC(C)(C)C)C1CCC(C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)CC1 2002573723 FQKHGYGHWPHUQA-UHFFFAOYSA-N 435.609 5.628 30 10 IKEE CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2033647066 ZOIYJGUYKBMOPJ-PXNSSMCTSA-N 449.567 5.646 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)C1CCC(F)(CNC(=O)OC(C)(C)C)CC1 2058299795 VUKTWLWAWDSZRN-VVCJCJSVSA-N 448.623 5.551 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@@H]2C2CC2)c1 2067978841 GOXMLLZBZVVSSX-NLFFAJNJSA-N 441.572 5.418 30 10 IKEE Cc1ccc([C@H](n2nc(C3CC3)c(C#N)c2I)C2(C)CC2)cc1C 2079116855 USWBPXOVMKDTAX-SFHVURJKSA-N 431.321 5.243 30 10 IKEE COc1ccc([C@@H](n2nc(C(F)(F)F)c(C#N)c2Br)C2(C)CC2)cc1C 2080007131 NGWWTILXBNLYKB-OAHLLOKOSA-N 428.252 5.243 30 10 IKEE Fc1nc(-c2c(C(F)(F)F)nn3c(Cl)c4c(nc23)CSC4)ccc1C(F)(F)F 2081312338 GFDDONVWMHXIQN-UHFFFAOYSA-N 442.747 5.368 30 10 IKEE CCN[C@@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)C1CCCCC1 2086665161 LYEZSDOYWAKDND-NDEPHWFRSA-N 432.656 5.073 30 10 IKEE C=CCC[C@@H](C)[C@@H](NCCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2102111043 KDLGOPQKDXJMJN-DNVCBOLYSA-N 425.411 6.439 30 10 IKEE CC(C)[C@@H](C)[C@H](CNc1ccc(C#N)c(Br)c1F)NC(=O)OC(C)(C)C 2106006852 OXLLBYRCJNIUOH-DOMZBBRYSA-N 428.346 5.057 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCCC[C@@H]1C(F)(F)F 2144653818 IQTFWWDOTULYOB-YJBOKZPZSA-N 447.295 6.205 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@](C)(C#N)[C@@H]1C[C@H]2[C@@H](C1)C2(C)C 2149725794 ASFHYKZOHLEIHC-TVZIFOOBSA-N 433.390 6.155 30 10 IKEE N#C[C@H](C(=O)c1cc(Br)c(Cl)s1)c1ccc(Br)cc1F 2206171362 NSZLDWDIENXLKH-QMMMGPOBSA-N 437.515 5.556 30 10 IKEE CN[C@H](C#Cc1ccccc1Br)c1ccc(N(C)C(=O)OC(C)(C)C)cc1 2235725161 NGPUMNXTLBKSNQ-HXUWFJFHSA-N 429.358 5.133 30 10 IKEE CN[C@@H](C#Cc1ccccc1Br)CCC[C@H](NC(=O)OC(C)(C)C)C(C)C 2235745312 BXZHOVMLDDVDBH-QUCCMNQESA-N 437.422 5.108 30 10 IKEE CCN[C@@H](C#CC1CCCC1)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2260980240 JJBXTNJQMGCRIX-IGKIAQTJSA-N 440.628 5.002 30 10 IKEE CCC#C[C@@H](OCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2262286841 RVVXGXFHNIMCOV-XMMPIXPASA-N 430.500 5.400 30 10 IKEE Cc1cc(OCc2ccccc2)ccc1NC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267496192 WCTBDGDKKUIQOB-UHFFFAOYSA-N 449.381 5.187 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cccc(Cl)c1Br 2272011107 SMHIBXKKKDWXKA-FUHWJXTLSA-N 443.813 5.450 30 10 IKEE Cc1cc(O)cc(C)c1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2282825440 MWIJJTLFVKYGFP-GOSISDBHSA-N 431.330 5.778 30 10 IKEE C#CCN1C(=O)SC(=Cc2ccc(OCc3ccc4ccccc4c3)c(OCC)c2)C1=O 2293152676 KCZZJOSFEXUPKS-UHFFFAOYSA-N 443.524 5.487 30 10 IKEE Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccccc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1Cl 2296348649 BINWNJFDVAGUQV-NRFANRHFSA-N 448.862 5.183 30 10 IKEE Cc1ccc(NC(=S)NN=Cc2cn(-c3ccccc3F)nc2-c2ccccc2)cc1C 2296407502 JBWGKCORMCMPEG-UHFFFAOYSA-N 443.551 5.616 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@H](C#N)C12CC(CCN1C(=O)OC(C)(C)C)C2 2302511321 WDSFVOCDOGBDAM-ZIYFGUEUSA-N 433.593 5.238 30 10 IKEE CCn1cc(C=C2Oc3cc(OCc4ccc([N+](=O)[O-])cc4)ccc3C2=O)c2ccccc21 2321851305 QABPUVCWGISVPI-UHFFFAOYSA-N 440.455 5.765 30 10 IKEE COC(=O)c1ccc(COc2cc(C)c3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1 2321859582 DDFZFNIRESTACF-UHFFFAOYSA-N 426.468 5.533 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(Cl)cc2)c1OCc1cccc(C)c1 2322528666 XBDUNFDQACQYQA-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C)cc2C)c1OCC(=O)Nc1cc(C)ccc1C 2322579857 PJLVWEWMOXZQDF-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCc2c(F)cccc2Cl)cc1Cl 2322974778 SLMQXMJTMPWJES-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE Cc1c(OC(=O)c2ccc(Cl)c(Cl)c2)ccc2c1OC(=Cc1ccc(F)cc1)C2=O 2323259536 SLQYGTNRSCAEKP-UHFFFAOYSA-N 443.257 6.276 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OCC(=O)Nc1ccccc1F 2323280058 HPNSCFZPRMFVKN-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE COc1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2F)C3=O)cc1 2323423562 HPPKDPYBZORNES-UHFFFAOYSA-N 430.431 5.378 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OCc1ccccc1 2324332173 IDXBXZAGKLMTLZ-UHFFFAOYSA-N 430.544 6.413 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)c1 2324455779 WSWGAGMNEOYBML-HXUWFJFHSA-N 439.511 5.882 30 10 IKEE CCOc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 2324611635 LMDJOYZGHIVYBK-QFIPXVFZSA-N 430.573 6.396 30 10 IKEE COC(=O)c1cccc(COc2cc(C)c3c(c2)OC(=Cc2ccccc2Cl)C3=O)c1 2324745325 PWRXJRGCKMZIPJ-UHFFFAOYSA-N 434.875 5.630 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc(OCc3cccc(C(=O)OC)c3)c2C)C1=O 2324748336 SLZUMCXZNMFHTM-UHFFFAOYSA-N 444.483 5.376 30 10 IKEE CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2)C3=O)c1 2324825934 JUIVJEJGXNUSGQ-GOSISDBHSA-N 441.483 5.220 30 10 IKEE CCn1cc(C=C2Oc3cc(OCC(=O)C(C)(C)C)cc(C)c3C2=O)c2cc(OC)ccc21 2324926247 FFYLIMJFTNEEPG-UHFFFAOYSA-N 447.531 5.588 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccc(OC(C)C)c(OC)c1 2325541174 OSSAJJDOHVKMPO-UHFFFAOYSA-N 438.597 5.509 30 10 IKEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1c(F)cccc1Cl 2325631453 WHLZKCUOQBLKOT-UHFFFAOYSA-N 429.735 5.860 30 10 IKEE COc1cc(C=Nn2cnnc2SCc2cccc(F)c2)ccc1OCc1ccccc1 2325649586 QDPUVAFLWZKNQT-UHFFFAOYSA-N 448.523 5.179 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4cccc(C)c4)c3C)C2=O)cc1 2325727386 YJKJWXSBAVPFOF-UHFFFAOYSA-N 427.500 5.500 30 10 IKEE C[C@@H](Oc1ccc(Cl)cc1)C(=O)Oc1cccc(C=CC(=O)c2ccc(F)c(F)c2)c1 2325753512 DGNHMVCQYWDJDH-OAHLLOKOSA-N 442.845 5.887 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2cccc(OC(=O)c3cncc(C)c3)c2)cc1Cl 2325759674 PALHYGABHXLVJU-UHFFFAOYSA-N 437.879 5.176 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)CC34CC5CC(CC(C5)C3)C4)c2)c(C)c1 2325764821 AJOIYQULGRNRJP-UHFFFAOYSA-N 442.599 7.020 30 10 IKEE CCCSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1cc(C)ccc1O 2326399309 OAVMBOABAMDMKM-UHFFFAOYSA-N 438.597 5.305 30 10 IKEE CCc1nnc(SCc2ccc(Br)cc2)n1N=Cc1ccc(C(C)C)cc1 2326619118 JUCOJSDLJIMQAL-UHFFFAOYSA-N 443.414 5.901 30 10 IKEE CCCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1c[nH]c2ccccc12 2327771911 VFDHJHUCWCKQKE-UHFFFAOYSA-N 425.561 5.888 30 10 IKEE COc1ccccc1OCc1nnc(SCc2ccccc2)n1N=Cc1ccccc1 2328276365 ZBSKXNABLKZPKF-UHFFFAOYSA-N 430.533 5.040 30 10 IKEE CCSc1nnc(COc2cccc(C)c2C)n1N=Cc1cccc(Br)c1 2328841454 VKRBWLHSIROBHW-UHFFFAOYSA-N 445.386 5.231 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2ccc(C)cc2)cc1 2329277859 ABFCETMMOGMGSZ-UHFFFAOYSA-N 428.561 5.360 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2N=Cc2ccccc2)c1 2329405586 VIYLWUNHDPSDPG-UHFFFAOYSA-N 426.589 5.969 30 10 IKEE Cc1cccc(C=Nn2c(Cc3ccccc3F)nnc2SCCc2ccccc2)c1 2329750759 MXISWEPQQJUSIM-UHFFFAOYSA-N 430.552 5.533 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc[nH]1 2329764174 PDJVSKPCJVRQKD-UHFFFAOYSA-N 425.920 5.164 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccccc3)n2N=Cc2ccccc2F)c1 2329898456 IDCMUALCMUPICB-UHFFFAOYSA-N 432.524 5.479 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2)n1N=Cc1ccc(N(CC)CC)cc1 2330193813 DLKVYSBJGKZOCD-UHFFFAOYSA-N 433.625 5.460 30 10 IKEE Clc1cccc(CSc2nnc(CC3CCCCC3)n2N=Cc2cccnc2)c1 2330288595 XVWOOIOEBMDXDK-UHFFFAOYSA-N 425.989 5.624 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2N=Cc2ccccc2C)cc1 2330551677 GQOLAAMCQILJTA-UHFFFAOYSA-N 447.589 5.236 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2-c2ccccc2)c1 2330687358 FXZXVWBCFJPKNW-UHFFFAOYSA-N 448.979 6.172 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(OC)c(OC)c2)cc1OC 2330705833 GLROAASGNXLSKQ-UHFFFAOYSA-N 432.900 5.358 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3ccccc3OC)c(OC)c2)cc1 2330742706 ZMYSEEMFISQJDC-UHFFFAOYSA-N 446.499 5.390 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CC(C)C)c(Br)c2)cc1C 2330863175 RLEILBSKBCZPNK-UHFFFAOYSA-N 431.326 5.614 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)c1ccc([N+](=O)[O-])cc1 2331017950 XVOVVLJMTXXHMU-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE COc1cccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CCCC2)c1 2331084575 HXUSYSLAHMFUAT-UHFFFAOYSA-N 442.588 6.272 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 2331093959 UMGNCFAQJOTEQZ-UHFFFAOYSA-N 445.324 5.267 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2OC)cc1 2331157280 STORYPKVVWCWRK-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2-c2ccco2)c1 2331210462 HFZPZWFRMNWPSJ-UHFFFAOYSA-N 432.549 5.728 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1cc(C)cc(C)c1 2331259666 KEJJFIVNVTXFSL-UHFFFAOYSA-N 430.500 5.744 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)Cc1cc(C)ccc1C 2331709306 BGHUEADETMOCSI-UHFFFAOYSA-N 442.555 6.363 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)c1cccs1 2331864153 NCCLUJHDCPKNHA-UHFFFAOYSA-N 433.312 6.179 30 10 IKEE CCN[C@H](C#C[C@@H]1CC1(F)F)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2341040861 JVFDBVVJUIAOIB-CZUORRHYSA-N 429.305 5.105 30 10 IKEE COCCCN1C(=O)/C(=C\c2ccc(Cl)cc2)S/C1=N/CCc1ccc(Cl)cc1 12624747 IKMKXVZBYOVMAE-KCURZMHMSA-N 449.403 5.545 30 10 IKEE C=CCn1c(COc2cc(C)cc(C)c2)nnc1SCC(=O)Nc1ccccc1Cl 14125848 NOUJIQYJXCPZDE-UHFFFAOYSA-N 442.972 5.044 30 10 IKEE Clc1ccc(Oc2ccc(/N=C/Nc3ccc(Oc4ccc(Cl)cc4)cc3)cc2)cc1 16427882 HEXRPSQAGHHCEB-UHFFFAOYSA-N 449.337 8.350 30 10 IKEE C(=N/Nc1nnc(SCCCc2ccccc2)[nH]1)\c1cccc(Oc2ccccc2)c1 21038243 CXZLHSMDYKIRRF-XIEYBQDHSA-N 429.549 5.768 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(O)c2)cc1 21221136 RGMRRUXTHITNOC-UZTOHYMASA-N 426.516 5.770 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(Cl)c2Cl)cc1 21225685 IRXUPLHPEIHOKD-WMLDXEAASA-N 430.331 5.396 30 10 IKEE CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1Cl 21231260 BRDHMIQJXFOZFQ-PPHZAIPVSA-N 444.962 6.718 30 10 IKEE C=CCn1c(SCC(=O)c2cc(C)n(-c3ccc(OCC)cc3)c2C)nnc1C1CC1 23867808 AHVNABREUPWPGV-UHFFFAOYSA-N 436.581 5.123 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(c3ncnc4sc(CC)cc34)CC2)c1 31850105 XCJNAAXBEFIBFL-UHFFFAOYSA-N 449.624 5.054 30 10 IKEE O=C1/C(=C/c2ccc(Cl)c(Cl)c2)Oc2cc(OCc3cccc(Cl)c3)ccc21 33513951 NYEWNXVUFZUMQT-FBHDLOMBSA-N 431.702 6.842 30 10 IKEE CCN1C/C(=C/c2cc(Cl)ccc2Cl)C(=O)/C(=C/c2cc(Cl)ccc2Cl)C1 33679290 FSGWPDVVSDLBFA-BSHIDLADSA-N 441.185 6.672 30 10 IKEE COc1ccc(OC)c(-c2cs/c(=N\C3CCCCC3)n2/N=C(/C)c2cccnc2)c1 33759092 YNELKOSCJLJQDJ-VOMHGQTNSA-N 436.581 5.135 30 10 IKEE CCOc1ccc(/N=C2/NC(=O)S/C2=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 35517751 OWCPXCMKUYMIIX-MOSHPQCFSA-N 435.461 5.781 30 10 IKEE COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1Cl)C2=O 35550240 YCUMHDWCOMEPJS-JAIQZWGSSA-N 441.266 5.837 30 10 IKEE C=CCOC(=O)C1=C(C)N(Cc2ccc(F)c(F)c2)C(=O)C[C@H]1c1ccccc1Cl 37280146 FBUOQGQIWDTCNA-KRWDZBQOSA-N 431.866 5.138 30 10 IKEE C[C@H](Nc1ccc(C#N)cc1Br)c1ccc(I)cc1 37302226 JNARYSQSSHPWDD-JTQLQIEISA-N 427.083 5.098 30 10 IKEE C=CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cccc(Cl)c2)c1 39872793 OHYXBQPNOJXRDI-QHCPKHFHSA-N 443.886 5.761 30 10 IKEE C=Cc1ccc(COc2cc(C)c3c(c2)O/C(=C\c2ccc(C(=O)OC)cc2)C3=O)cc1 41504596 YAAKXEJZSNNERO-OYKKKHCWSA-N 426.468 5.620 30 10 IKEE CCCCCCCCOc1ccc(/C=C2\N=C(c3ccc(CCCC)cc3)OC2=O)cc1 97998387 QPJHLLMCIBVQMG-QLYXXIJNSA-N 433.592 7.113 30 10 IKEE C=CCn1c(C)c(/C=C2\S/C(=N/c3ccc(C(=O)O)cc3)N(CC)C2=O)c2ccccc21 100927425 BLEGWBFBVLVEGS-INCSMEFSSA-N 445.544 5.458 30 10 IKEE CCCCCCCCCCCC(=O)N1CCc2c([nH]c3ccc(OC)cc23)[C@@H]1CNC 102542811 IEWXIXGDERBBBW-DEOSSOPVSA-N 427.633 5.743 30 10 IKEE CCCN1C(=S)N[C@H](c2ccc(OCc3ccc(Cl)cc3)cc2)C2=C1CCCC2=O 169930172 OMXHBLOCWRZWTL-HSZRJFAPSA-N 440.996 5.567 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@@H](c2cc(Cl)c(OC(C)C)c(Cl)c2)NC(=S)N1C 169935529 MAYWYWJRDIPHSO-LJQANCHMSA-N 449.403 5.799 30 10 IKEE CCc1nc(N/N=C\c2ccc(OCc3ccccc3)c(Cl)c2)sc1C(=O)OC 169942717 IUOMOPJCUQNTQK-FMCGGJTJSA-N 429.929 5.171 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@H]2c2ccccn2)c1 169995905 FGGUQXSPWOXSNV-VWLOTQADSA-N 434.495 5.635 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@H]2c2ccncc2)cc1C 170022365 QHVFVJORPYNUGZ-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2cccc(O)c2)cc1 170080603 YKVSQUCEPKVNHW-XMMPIXPASA-N 427.500 5.354 30 10 IKEE Cc1[nH]c2ccccc2c1[C@@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1Cc1ccco1 170103970 KIBLTUKMOIIMSK-JOCHJYFZSA-N 446.890 5.501 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2sccc2C)c1 170105111 GORSGQGUJQWQLJ-LJQANCHMSA-N 439.920 5.501 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2cc(C)cc(C)c2OC)=C(O)C(=O)N1c1ccccc1 170122383 UEMGQNZYLGIKAH-QHCPKHFHSA-N 443.499 5.104 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)c(Cl)c2)[C@H]1c1cccs1 170165251 HUXYXQBUAZXGHL-OAHLLOKOSA-N 426.321 5.052 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@H]1c1ccncc1 170202500 PNPWGNWLPKMGAM-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccncc2)c(C)c1 170205485 BZDKPUMMVAFXHR-RUZDIDTESA-N 438.527 5.360 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccccc1 170230154 AAPOYQCUWPCEGX-REWPJTCUSA-N 433.548 5.050 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2F)cc1C 170248287 NYKMUMIWAAJKGJ-HSZRJFAPSA-N 449.453 5.455 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@H]1c1c[nH]c2ccccc12 170255348 HLYVIISQLJBCHE-HSZRJFAPSA-N 432.520 5.335 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2Cc2ccco2)cc1 170266283 GAFJKRIAEQMMPN-RUZDIDTESA-N 441.527 5.499 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccco2)cc1C 170286069 ITQWQJIVNBWFKG-XMMPIXPASA-N 445.515 5.777 30 10 IKEE COc1cc(Cl)cc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4)[C@@H]3c3ccco3)oc12 170286428 YZLYSEMCIVTTMJ-HXUWFJFHSA-N 449.846 5.471 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 170346424 XSRUZLBEYNCURE-JOCHJYFZSA-N 426.472 5.232 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(OCC)c2)c1 170363236 CAAGFJVYRPGMPT-XMMPIXPASA-N 443.499 5.267 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cn(C)c3ccccc23)c1 170394335 ZSMISYIFFLFNOG-VWLOTQADSA-N 436.511 5.578 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(N3CCCCC3)cc2)o1 170401685 SDVZFHIYSPMORO-XMMPIXPASA-N 442.515 5.361 30 10 IKEE Cc1[nH]c2ccccc2c1[C@H]1C(C(=O)c2ccco2)=C(O)C(=O)N1c1ccc(Cl)cc1 170404645 YMEYEGUGWGVTQV-NRFANRHFSA-N 432.863 5.506 30 10 IKEE O=c1c2c3c(sc2ncn1N=Cc1ccc(-c2ccccc2C(F)(F)F)o1)CCCC3 254379118 RUDFLUDTVWCYGM-UHFFFAOYSA-N 443.450 5.498 30 10 IKEE CCOc1ccc2ccccc2c1/C=C1\SC(=Nc2cccc(C(=O)O)c2)N(C)C1=O 254771428 MYOJNBBTEKBGAU-NGZUUMTHSA-N 432.501 5.171 30 10 IKEE O=C1C(=Nc2ccc3ccccc3c2)c2ccccc2N1CN1CCN(c2ccccc2)CC1 263629774 HCPLFFKKJFDTIF-UHFFFAOYSA-N 446.554 5.087 30 10 IKEE N#Cc1cccc(COc2ccc(NC(=O)CCc3cc4ccccc4nc3O)cc2F)c1 502961753 LGCZDNJXUAVJBP-UHFFFAOYSA-N 441.462 5.101 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 526490776 YMKVTBXQARADHL-LJQANCHMSA-N 437.864 5.239 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccc(F)c2)cc1Cl 526492449 XTRHRCNGEGZBSA-QHCPKHFHSA-N 448.881 5.807 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(Sc3ccc(Cl)cc3)C2=O)cc1 526665098 JFGVSMHPMDZGFO-UHFFFAOYSA-N 445.931 5.509 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1cccc(OC(C)C)c1 526813184 YHNGVDPPPISCDY-MYYYXRDXSA-N 443.016 6.236 30 10 IKEE Fc1cccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2c[nH]c3ccccc23)c1 526826163 VHPJWVGBTLYEOP-NTFVMDSBSA-N 441.535 5.664 30 10 IKEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1ccc(Cl)cc1 526829361 FJAMXUJYVVXKBF-XKZIYDEJSA-N 429.933 5.357 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1ccc(Cl)cc1F 698406908 LVQVYSMXBSBZSV-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE Cc1cc(C)c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)cc1C 698455064 BOVAKRYZMHPMOF-HXUWFJFHSA-N 429.358 6.381 30 10 IKEE CC(C)[C@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Br)CC1 698456242 MNYNKYPENNIYKM-JTSKRJEESA-N 435.406 6.689 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2c(F)cccc2Br)c1 698486213 PIBXORSQCPPXPP-KRWDZBQOSA-N 435.293 5.603 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@@]1(C#N)CCc2ccc(Br)cc21 698852850 SQWBCBIPPSBUGL-OAQYLSRUSA-N 447.760 6.209 30 10 IKEE COc1cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2)cc(Br)c1O 700616608 RUZPTRCUDKFQNA-INIZCTEOSA-N 433.302 5.170 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Cl)c1Br)NCCC 719443945 PFJFBIOBBZZPMP-IRXDYDNUSA-N 445.829 5.483 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CC[C@H]2CCCC[C@@H]2C1 723615746 SETIVPJIYJDCCW-DRSNIGMVSA-N 433.390 6.443 30 10 IKEE C=C(C)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@H]12 1076500091 MQYXUWHLBZFQQO-JWTKXZNESA-N 426.729 8.025 30 10 IKEE COc1ccc(C(CSc2nc3ccccc3[nH]2)=NNc2ccc([N+](=O)[O-])cc2)cc1 1084162927 UMJYMVMDKANPHK-UHFFFAOYSA-N 433.493 5.088 30 10 IKEE Cc1ccc(Cc2sc(NC(=O)CSc3nc4c(c(C)c3C#N)CCC4)nc2C)cc1 1188400279 GKCISWOQSORROP-UHFFFAOYSA-N 448.617 5.145 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=Nc1cccnc1 1772731359 MVCUHHLIOUIPFW-JGBPVPSRSA-N 432.461 5.040 30 10 IKEE Cc1nnc(N=C2S/C(=C\c3c(Cl)cccc3Cl)C(=O)N2c2ccccc2)s1 1772736786 JJNBOAQKNWQEJN-FIMHLPJISA-N 447.372 5.962 30 10 IKEE COc1ccc(C(=O)C[C@@H]2SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1 1772759993 KEHBYNGCHFUSBQ-DEOSSOPVSA-N 444.556 5.721 30 10 IKEE CCc1nc2ccc(F)cc2c(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C 1859620115 QXUZJNHFLRBDCF-UHFFFAOYSA-N 444.350 6.535 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862382579 DNXBNSYHEHUHGT-RBZFPXEDSA-N 448.346 5.769 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2[C@@H](C)CC)c1 1862436907 FDTOSFKDQAANIV-YCRPNKLZSA-N 427.928 5.506 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1 1862443018 MEUSAYVJHNACOH-RBBKRZOGSA-N 443.946 6.416 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1Br 1862453244 VLGUONQXTKLGOE-KRWDZBQOSA-N 434.717 5.091 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2C)cc1 1862475690 RZMHWJORMHDRKH-IBVKSMDESA-N 439.555 6.205 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccc(Cl)c2)c1 1862476626 MMSMKOLDLRMUPL-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2cccc3ccccc23)cc1 1862481165 YFPLKDHLOJZRLH-LNXUECGXSA-N 439.555 6.305 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccc(Cl)cc2)c1 1862489863 JBTHPEQOGHVBLB-XMMPIXPASA-N 445.946 6.044 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc3ccccc23)c1 1862494119 FWYZBSDKVLTXIE-SANMLTNESA-N 448.522 5.630 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccccc2Cl)ccc1F 1862503515 YVPHFNRMBSLWMI-OAQYLSRUSA-N 445.918 5.181 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(OCC)cc1 1862532141 CJVMZCYXOIAVQA-DEOSSOPVSA-N 435.564 5.806 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc([N+](=O)[O-])cc1 1862547148 NSSAXCAVHTYKST-HSZRJFAPSA-N 448.519 5.098 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C(C)C)c1 1862586217 OGCJMEHZGDGHOO-HXUWFJFHSA-N 448.346 5.769 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C2CCCCCC2)c1 1862595918 JTPOYXHNRPZQAO-XMMPIXPASA-N 449.547 5.482 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862596079 FSXKRNJXQWSLRR-QHCPKHFHSA-N 435.520 5.092 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(O)cc1 1862614006 VMDYMKZNJLGHNA-HSZRJFAPSA-N 435.564 5.848 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2)cc1 1862617335 YBYKHTGXUXSTGK-QHCPKHFHSA-N 426.516 5.158 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1Br 1862681087 RFUXFBAPIKGYBJ-LJQANCHMSA-N 446.316 5.357 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2cccc(C)c2)cc1 1862687089 GMEDXAJEQAHROL-UUOWRZLLSA-N 427.500 5.343 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cccc(F)c1)c1ccc(-c2ccccc2)cc1 1862724143 KAIZXAZWSVRAKK-VWLOTQADSA-N 441.502 6.014 30 10 IKEE N#Cc1ccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3cccc(Cl)c3)C2=O)cc1 1862793589 AWCCXPSWBDMPQY-UHFFFAOYSA-N 434.282 5.262 30 10 IKEE COc1ccccc1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2cccc3ccccc23)C1=O 1862846152 ZGEBFACZQNFHNJ-UHFFFAOYSA-N 445.478 5.117 30 10 IKEE Cc1cc(C)cc(NC2=C(c3cccc4ccccc34)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1862850041 JRKWDYUMTBQGHY-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE N#Cc1ccccc1NC1=C(c2cccc3ccccc23)C(=O)N(CCc2ccccc2)C1=O 1863231103 UJHMYLSGBIROQR-UHFFFAOYSA-N 443.506 5.146 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(OCC)cc2)C(=O)N(CCCCC)C1=O 1863566318 IOWAUMXPQZRGTP-UHFFFAOYSA-N 442.644 6.086 30 10 IKEE CCCCCCCCNC1=C(c2ccc(C)c(C)c2)C(=O)N(Cc2cccc(C)c2)C1=O 1863611161 MHBGOJWOKLXGIQ-UHFFFAOYSA-N 432.608 5.842 30 10 IKEE C=CCOc1ccccc1/C=C1\C(=O)N(Cc2c(F)cccc2Cl)N=C1C(F)(F)F 1865666574 MXTGRSOEIKOUFM-KAMYIIQDSA-N 438.808 5.388 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)/C=C/c2ccc(Br)cc2)c1 1866125572 POVVNDYJXQHGNW-XYOKQWHBSA-N 445.316 5.512 30 10 IKEE C[C@@H]1CN(c2cc(Nc3ccc(C#N)cc3)nc(C(C)(C)C)n2)C[C@@H](C)N1c1ccccc1 1868356184 UQBQAEZKMSHGKA-WOJBJXKFSA-N 440.595 5.493 30 10 IKEE Cc1ccc(C)c2c1C[C@@H](C)CN2c1cc(Nc2ccc(C#N)cc2)nc(-c2ccccc2)n1 1868376242 JFXPYIAVAOVQCL-LJQANCHMSA-N 445.570 6.706 30 10 IKEE CCCCCCCCC(=O)Nc1c(C#N)nnn1-c1ccc(Cl)c(C(F)(F)F)c1 1870159769 RUGXDWYZHJNOJS-UHFFFAOYSA-N 427.858 5.500 30 10 IKEE CCCCCCCCn1cc(OCc2ccc([N+](=O)[O-])cc2)c(=O)cc1CSC(C)C 1870190750 VLUDQLNHVXMRGP-UHFFFAOYSA-N 446.613 6.338 30 10 IKEE CCCN(CCC)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCc1ccccc1 1870348848 OMOAZOZJWPDVCD-UHFFFAOYSA-N 443.591 5.164 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCCCC)c(=O)cc1CN1CCC[C@@H](C)C1 1870764337 FPKKDGAWCCURDA-JOCHJYFZSA-N 448.648 5.163 30 10 IKEE CCCCCCCOc1cn(CCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870838736 REIGSOXQCWOIOP-UHFFFAOYSA-N 449.595 5.546 30 10 IKEE C#CCOc1cn(CCCCCCCCCC)c(CNc2ccc3[nH]ncc3c2)cc1=O 1871006189 TWZDHKYOFKNLNN-UHFFFAOYSA-N 434.584 5.489 30 10 IKEE CCCCCCCCn1cc(OCCCO)c(=O)cc1CNc1ccc2cc[nH]c2c1 1871266763 NZRWBDVUOVLQIV-UHFFFAOYSA-N 425.573 5.063 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(=O)c(-c4ccc(OC)cc4)c(C)oc3c2)c1 1871389148 WCZPRHHFXLXIEI-UHFFFAOYSA-N 442.467 5.561 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(OC)cc2)C3=O)cc1 1871389563 CDGORKXIFDGXJJ-JLPGSUDCSA-N 442.467 5.404 30 10 IKEE Cc1cc(O)c(CN2CCc3ccccc3C2)c2c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O2 1871394739 OJSJKUWVXPKCPW-YSMPRRRNSA-N 439.555 5.999 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4cc(C)ccc4C)ccc3C2=O)cc1 1871411918 MCDWOGADGSZIIC-LPANUZLBSA-N 427.500 5.634 30 10 IKEE Cc1cc(OCCOc2ccccc2F)cc2c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O2 1871417461 VVUZDCCFOVTSGO-XYGWBWBKSA-N 446.518 6.506 30 10 IKEE Cc1cc(OCC(=O)N[C@H](C)c2ccccc2)cc2c1C(=O)/C(=C/C=C/c1ccccc1)O2 1871421849 OHJDFBXEJLAISV-CSNNCILUSA-N 439.511 5.424 30 10 IKEE CCc1ccc(NC(=O)[C@H](CC)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2)C3=O)cc1 1871424801 AJAZWNUXZAAXNP-NAZSJVEXSA-N 441.527 5.970 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1ccc2c(c1)O/C(=C\c1sccc1C)C2=O 1871432763 GBKHXENRDMMBGW-SLOMDMAXSA-N 428.550 5.954 30 10 IKEE CCCCCCCCN=c1nc(N2CCC(C)CC2)[nH]c(=Nc2ccc(F)c(Cl)c2)[nH]1 1871655891 MONSXNNRQSTRCU-UHFFFAOYSA-N 449.018 5.260 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 1872761260 JKKXUMFDISXKLF-SSVWKNEZSA-N 434.517 5.116 30 10 IKEE N#C[C@@H](C(=O)c1cccc(Br)c1)c1nc(-c2cccc3ccccc23)cs1 1872774721 AFGIYSBJNNAMMP-IBGZPJMESA-N 433.330 6.216 30 10 IKEE N#C[C@H](C(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2cccc3ccccc23)cs1 1872775267 MRFGJSAKZRHGQN-GOSISDBHSA-N 433.876 6.015 30 10 IKEE COc1ccc(Cl)cc1C(=O)[C@@H](C#N)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872787245 FGLRZEMTOZBQJM-CQSZACIVSA-N 437.735 6.269 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(F)cc3)n2)c2ccccc12 1872788066 CFTOXBDOGUZGCR-HSRJRILOSA-N 428.488 6.001 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@H]2CCCC[C@H]2C)=C(c2ccc(C)cc2)C1=O 1873143753 ZYDCUMUZJKGOLP-VWNXMTODSA-N 438.656 6.384 30 10 IKEE CCCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1cccc([N+](=O)[O-])c1 1874234224 XWHKVSCSXRDNDE-KOEQRZSOSA-N 445.548 5.509 30 10 IKEE COc1cc(/C=N/n2c(CC34CC5CC(CC(C5)C3)C4)nnc2SC)cc(Cl)c1O 1874242335 AAVDMKSFIGGNIS-WYMPLXKRSA-N 447.004 5.009 30 10 IKEE CCCOc1ccccc1/C=N/n1c(COc2ccc(Cl)cc2)nnc1SCC 1874263066 GHUFATXLIHXKHD-OEAKJJBVSA-N 430.961 5.294 30 10 IKEE C=C(C)CSc1nnc(COc2cccc(C)c2C)n1/N=C/c1ccc(F)cc1F 1874323327 JRWAMQKAEACQEI-OPEKNORGSA-N 428.508 5.303 30 10 IKEE COc1cccc(/C=N/n2c(Cc3ccc(C)c(C)c3)nnc2SCc2ccccc2)c1 1874358421 HAOVAYOFXNZIQC-WPWMEQJKSA-N 442.588 5.669 30 10 IKEE CSc1nnc(Cc2ccccc2F)n1/N=C/c1cccc(OCc2ccccc2)c1 1874372814 STHBZCGYNQTNIJ-WGOQTCKBSA-N 432.524 5.191 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3F)n2/N=C/c2cccc(F)c2)cc1 1874373525 TXMGEZDTPGIEJP-JFLMPSFJSA-N 434.515 5.630 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2[C@H](C)c2ccccc2)cc1 1874394963 ZVZZSRDKJGIYMK-YFHGFKKUSA-N 440.616 6.475 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(CC2CCCCC2)n1/N=C/c1ccccn1 1874411410 RHEYXHZSECJGAM-VULFUBBASA-N 443.979 5.763 30 10 IKEE Cc1ccccc1CSc1nnc(-c2cccs2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874421059 SGWAJFSQUBACHJ-LPYMAVHISA-N 435.534 5.398 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccccc3)n2/N=C/c2cccc3ccccc23)c1 1874428283 AYPMZGZTZRWLEA-RDRPBHBLSA-N 448.595 6.890 30 10 IKEE Cc1ccccc1/C=N/n1c(CC(C)(C)C)nnc1SCC(=O)N[C@H](C)c1ccccc1 1874441160 LDERQHRWKGAUTE-DZTFFZQKSA-N 449.624 5.027 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C(F)(F)F)c1 1874462869 ITBCCYMHYWTKOB-PGGKNCGUSA-N 445.297 6.087 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccco3)n2/N=C/c2cccc3ccccc23)cc1 1874467381 GMTRDZWOWQQIKZ-CVKSISIWSA-N 444.947 6.519 30 10 IKEE C=C(C)CSc1nnc(C2CC2)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874519298 LSDXAFVMAPBUCS-DHRITJCHSA-N 438.984 5.938 30 10 IKEE COc1cccc(/C=N/n2c(S)nnc2C2CC2)c1OCc1ccc(Cl)c(Cl)c1 1874558789 YJISYSPYOYFPQB-AUEPDCJTSA-N 449.363 5.221 30 10 IKEE Fc1ccc(COc2ccc3ccccc3c2/C=N/n2c(S)nnc2[C@@H]2CCCO2)cc1 1874560063 DZSMCMBJJQPYAY-RVWJGDDESA-N 448.523 5.172 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Br)ccc1OCc1cccc(F)c1 1874576805 HIUUMRBSRMKAHI-PKNBQFBNSA-N 441.296 6.072 30 10 IKEE O=C(COc1cccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1)Nc1nccs1 1874595913 BIQYIDVZLVYNDU-QPJJXVBHSA-N 433.316 5.364 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3cccc(Cl)c3)c2)cc1Cl 1874599727 APWPWDAVBSVYOD-RMKNXTFCSA-N 443.326 6.486 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OCC(=O)NC1CCCCC1 1874622564 JMVNYGMCRYDUKL-MHWRWJLKSA-N 449.591 5.717 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc(Br)c1OCCO 1874635358 MEDDZRFHSJUSFZ-VQHVLOKHSA-N 447.369 5.331 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCc3ccccc3F)c([N+](=O)[O-])c2)cc1C 1874636605 JFOPKMHHSKYKRG-CSKARUKUSA-N 435.451 5.834 30 10 IKEE CCCCCCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1 1874657203 NSDBDNDDTLYWTI-RUZDIDTESA-N 433.596 5.262 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1OC(=O)c1ccco1 1874697485 ZZZSSTMWHOZMKU-ONNFQVAWSA-N 427.250 5.166 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(Cl)c(Cl)c3)c2)c1 1874702660 CMYIIUWIPZRDPK-RMKNXTFCSA-N 425.311 6.726 30 10 IKEE CCOc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)cc3OC)c2)cc1 1874714133 GAJHPSBVUYJVSN-OVCLIPMQSA-N 432.472 5.218 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(Cl)c1OC(=O)C1CCC1 1875095353 LVLYISQOWOBIAL-JLHYYAGUSA-N 434.919 6.494 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3OC)c(OC)c2)c1 1875104482 ZLTSOMFMPMJAKV-SDNWHVSQSA-N 446.499 5.147 30 10 IKEE C[C@H](C(=O)Oc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1)c1ccccc1 1875114111 DMUGTEKQRVKECL-VMEIHUARSA-N 435.317 6.054 30 10 IKEE COc1ccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2OC)cc1 1875129228 QJFWYGXJDIEOAM-MHWRWJLKSA-N 446.499 5.365 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)[C@H](C)c1ccccc1 1875136236 FNLFPBBLEGEECY-PVGBUVFQSA-N 440.539 6.337 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1ccc2c(c1)OCO2 1875156799 ISDVCQZHPRVVGX-NYYWCZLTSA-N 444.483 5.663 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 1875178981 NIXUSVCMYWHAFW-FMIVXFBMSA-N 431.444 5.336 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccccc2)c(Cl)c1 1875181306 YQLOFRHCUKWZNM-CSKARUKUSA-N 441.310 6.426 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C2CC2)c(Br)c1)c1cc(Cl)ccc1Cl 1875189336 LRAQIDJCHCNTEC-LREOWRDNSA-N 440.120 5.967 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1)c1cc(Cl)ccc1Cl 1875191257 FVVDTCHLXKDHML-XNTDXEJSSA-N 447.317 7.262 30 10 IKEE C[C@H](C#N)c1cccc(C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 1892410305 NWXZZSKNUMOBOV-OAHLLOKOSA-N 425.315 6.452 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C12CC2 1925720877 JZKVGZSKIFHDCG-QHCPKHFHSA-N 431.508 5.003 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1930146982 BOHSQIKQFUVVAQ-NBGIEHNGSA-N 443.588 5.401 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@]1(C#N)CC(C)(C)[C@@H]1OCc1ccccc1 1950400200 LOHVDNDRIVGLTJ-BKMJKUGQSA-N 426.601 6.224 30 10 IKEE CC1(C)C[C@H]([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)N(C(=O)OC(C)(C)C)C1 2033723845 RLCMWLDZHHIBPQ-RTBURBONSA-N 447.551 5.495 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)cc(Br)c1)NCC 2047968715 UUAOCIOZXWMHMY-IAGOWNOFSA-N 431.802 5.093 30 10 IKEE CC[C@H]1CC=C(C(=O)CC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)CC1 2061120250 WDGJIAIEYQKSIL-NRFANRHFSA-N 440.628 5.642 30 10 IKEE CC[C@H](c1ccc(C(F)(F)F)cc1)n1nc(C2(C)CC2)c(C=NO)c1Br 2079905035 UYMYEXIQOWSRQU-CQSZACIVSA-N 430.268 5.523 30 10 IKEE CCc1nn([C@@H](c2ccc(C(C)C)cc2)C(C)C)c(I)c1C=NO 2079905295 XBZLYPYHKRDCFN-GOSISDBHSA-N 439.341 5.227 30 10 IKEE C[C@@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C2CC2)c(C#N)c1I 2079999576 XHUMQERMALUKGI-QMMMGPOBSA-N 449.189 5.004 30 10 IKEE COc1ccc([C@@H](n2nc(C(C)(C)C)c(C=NO)c2Br)C2(C)CC2)cc1C 2080008722 VANURJYYZNHYLZ-GOSISDBHSA-N 434.378 5.458 30 10 IKEE C[C@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)(F)F)c(C=O)c1Br 2080053716 KTPDPWFUWCKNKG-ZCFIWIBFSA-N 433.121 5.244 30 10 IKEE CC(C)(C)n1nc(C(F)(F)F)c(-c2ccc(F)cc2C(F)(F)F)c1Br 2080798589 OUGFINYGOXMRMK-UHFFFAOYSA-N 433.165 6.244 30 10 IKEE CC(C)c1cc(C(F)(F)F)ccc1-c1cc(O)n2nc(C3CCCCC3)c(C#N)c2n1 2080843242 YZCJDPQVAOJETB-UHFFFAOYSA-N 428.458 6.163 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Cl)cc(Br)c1 2081552499 OWTNEMCCGKAPFU-IRXDYDNUSA-N 429.786 5.060 30 10 IKEE CCCN[C@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)CC1(C)CC1 2086577799 ARPIHLNWIQNVAM-MUUNZHRXSA-N 432.656 5.073 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](Nc2cc(Br)cc(F)c2C#N)CCC1(C)C 2107451650 WJGLOPXCMTWCHE-CYBMUJFWSA-N 426.330 5.050 30 10 IKEE CC1(C)OB(c2cc(C(F)(F)F)cnc2N(Cc2ccccc2)C2CCCC2)OC1(C)C 2116140188 JTDHXFUWQCUVOR-UHFFFAOYSA-N 446.322 5.349 30 10 IKEE CCCCCCCCC[C@H](N)[C@H](O)c1cc(Br)c(Br)s1 2148616058 DDPBSSLYSNQZOY-JSGCOSHPSA-N 427.246 5.775 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCCO[C@@H]1C(C)(C)C 2160258418 PUUAUWVNLCKFEX-DYESRHJHSA-N 437.378 5.678 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@H](Nc3ccc(Br)c(C#N)c3)C[C@H]21 2166954423 FMVMNAZPRADKEZ-DKSSEZFCSA-N 434.378 5.301 30 10 IKEE C=CC1(C[C@@H](NCCC)c2ccc(NC(=O)OC(C)(C)C)c(Br)c2)CCC1 2168028041 IZDGGUKHZYVSDU-LJQANCHMSA-N 437.422 6.583 30 10 IKEE CC#CCCCC[C@H](NCCC)c1ccc(I)c(Br)c1 2196170836 CUIXIVNDIUUIIB-KRWDZBQOSA-N 448.186 5.678 30 10 IKEE CC#CCCCC[C@@H](NCCC)c1cc(I)ccc1Br 2196172033 ONYBGFZJIOBBMH-QGZVFWFLSA-N 448.186 5.678 30 10 IKEE C=CCCCCCCC[C@H](NC)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2214624613 UVACHSMHFVXVET-ZEQRLZLVSA-N 431.665 5.516 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1sc(C)c(Br)c1C 2226026819 YHOSZNKVXMDZPB-DOTOQJQBSA-N 445.467 6.028 30 10 IKEE CCCCCCCCC(=O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237429342 BIZMXXAFHYAFSZ-LJQANCHMSA-N 440.422 6.205 30 10 IKEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)Cc1ccccc1 2241478314 CAWHGBDKZXCUDU-UHFFFAOYSA-N 441.380 5.137 30 10 IKEE C#CCCC[C@H](OCCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2276941886 PAOKTNAUYALHJT-MHZLTWQESA-N 443.587 6.055 30 10 IKEE Cc1cccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1B1OC(C)(C)C(C)(C)O1 2282106628 ANOFEHNFSHNLKJ-UHFFFAOYSA-N 443.352 5.126 30 10 IKEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Br)cc(C(C)(C)C)c1 2288658176 YUPNWLLXJZEEIX-OALUTQOASA-N 437.422 5.314 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NC)c1cc(Br)cc(C(C)(C)C)c1 2288664003 RLQSVCZEWIXDFT-RTBURBONSA-N 437.422 5.314 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)CCC(C)(C)NC(=O)OC(C)(C)C 2296218817 ILVCELYVDRAFSI-LJQANCHMSA-N 437.422 5.252 30 10 IKEE CCCCCCCCCCCCCCCCCCSCCN=Cc1ccc(O)cc1O 2296645877 TXQJBARSXVYLGF-UHFFFAOYSA-N 449.745 8.511 30 10 IKEE C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=NN=Cc3ccccc3C(F)(F)F)CC[C@H]12 2297480198 FHIHDASURXFVSB-TZSFBSPHSA-N 444.585 7.913 30 10 IKEE O=c1c(C=NCc2ccc(F)cc2)c(-c2ccccc2)[nH]n1-c1nc2ccccc2s1 2297736593 OGVRCBSKAMIRPR-UHFFFAOYSA-N 428.492 5.201 30 10 IKEE Fc1ccc(-c2nc(-c3ccccc3)c(N=C(c3ccccc3)N3CCCCC3)s2)cc1 2297748616 QVFMCHLDAJNSGR-UHFFFAOYSA-N 441.575 7.180 30 10 IKEE C=C(C)CSc1nnc(C2CC2)n1N=Cc1cccc(OC)c1OCc1cccc(C)c1 2320849916 LRUPMCVJZMNXJY-UHFFFAOYSA-N 448.592 5.602 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SCc3ccccc3F)nnc2C2CC2)cc1 2320851545 YSPAYLPKRPYEBV-UHFFFAOYSA-N 438.572 6.038 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(C(C)(C)C)cc1 2321028669 FQWWFGPUEDGNFD-UHFFFAOYSA-N 428.605 6.466 30 10 IKEE COc1cc(C=Nn2c(S)nnc2CC23CC4CC(CC(C4)C2)C3)ccc1OC(C)C 2322183643 ARXNEPGXTAXZEP-UHFFFAOYSA-N 440.613 5.004 30 10 IKEE Cc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2nc3ccccc3[nH]2)C4)cc1 2322192842 WQWFYVYTMITONC-UHFFFAOYSA-N 437.499 5.148 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)NCc2ccccc2)cc1C 2322415599 OOMRBRYNRSPGGH-UHFFFAOYSA-N 449.934 5.248 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OC)c1OCC(=O)Nc1ccc(C)cc1 2322657684 KGONTCFLMSVHMA-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE Cc1cc(OC(=O)c2ccccc2)cc2c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O2 2322667093 SEEKGMVGKNXUGI-UHFFFAOYSA-N 425.267 6.137 30 10 IKEE Cc1cc(OC(=O)c2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O2 2322705131 WKMUJBJCOJHEPL-UHFFFAOYSA-N 446.930 6.781 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OC(=O)c4ccc(Br)cc4)c3C)C2=O)c1 2322708485 PARQDAMLTDVNMZ-UHFFFAOYSA-N 449.300 5.901 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(F)cc2)c1OCc1c(Cl)cccc1Cl 2322748732 CHGQJLITDYTWOR-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE O=C(C=Cc1cc(Br)ccc1OCCc1ccccc1)c1ccc(F)c(F)c1 2322775606 DMRNARRHEKOBLD-UHFFFAOYSA-N 443.287 6.245 30 10 IKEE COc1cccc2cc(C(=O)Oc3ccc4c(c3C)OC(=Cc3ccccc3C)C4=O)oc12 2322860590 YOOPCNNEQJKFDJ-UHFFFAOYSA-N 440.451 5.894 30 10 IKEE Cc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(Br)c2)C3=O)c1 2322880677 JTHFVHLZOJKRKZ-UHFFFAOYSA-N 435.273 5.593 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2c(OCc3ccccc3C)ccc3ccccc23)cc1C 2322991781 HHOLBBQNZMVQJX-UHFFFAOYSA-N 436.551 7.249 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2OC)cc1OCC(=O)Nc1ccc(C)cc1 2323176463 AZZUFEDBOZIIGC-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(Cl)cc3Cl)cc2)o1 2323511768 MTULMSJMEDALFW-UHFFFAOYSA-N 445.298 6.238 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c3C)C2=O)c1 2323702061 DNJRDZBFTYIWBI-UHFFFAOYSA-N 449.846 5.700 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 2323987379 WVVJABOSTMOKTR-FQEVSTJZSA-N 429.516 5.156 30 10 IKEE CN(Cc1ccccc1)Cc1c(O)ccc2c1OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2324077497 RPUICTTVILQJST-UHFFFAOYSA-N 427.544 5.938 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)cc1F 2324124219 GFXJRALSDJVCPS-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OCc1ccccc1C 2324234602 XYOWXBBZJGRJHI-UHFFFAOYSA-N 444.571 6.785 30 10 IKEE C[C@H](Oc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O)C(=O)Nc1ccccc1Cl 2324388705 PLWWOPOQHSQMST-AWEZNQCLSA-N 437.854 5.501 30 10 IKEE Cc1cccc(OCCCCOc2cc(C)c3c(c2)OC(=Cc2sccc2C)C3=O)c1 2324574631 FAMOSTZRADGQCI-UHFFFAOYSA-N 434.557 6.528 30 10 IKEE CCOc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)cc1 2324706411 DYERWDQBYOAYGW-OAQYLSRUSA-N 432.545 5.724 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1N=Cc1cc(Cl)c(O)c(OC)c1 2325547065 FPTHRDSXCOHZTM-UHFFFAOYSA-N 430.961 5.081 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(Cl)c(Cl)c1 2325571552 ABQMYBBUYITRBW-UHFFFAOYSA-N 439.799 6.365 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(F)c(Cl)c2)ccc2c1OC(=Cc1ccccc1)C2=O 2325592975 FENYDTARNWUYKH-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE COc1cccc(CCC(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)CCCC4)c2)c1 2325702036 FUCPYXFZONIGHT-UHFFFAOYSA-N 440.539 6.008 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1OC(=O)c1c(F)cccc1Cl 2325725373 UGQWMJXTIRRXRP-UHFFFAOYSA-N 446.808 5.881 30 10 IKEE CCCC(=O)Oc1cc(C=CC(=O)c2ccc(F)c(F)c2)c(Br)cc1OC 2325753462 ZNTQKYCFYUSZGM-UHFFFAOYSA-N 439.252 5.338 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OC(=O)Cc1ccc(C)c(C)c1 2325764136 CWVNKLHEIXPUDA-UHFFFAOYSA-N 442.555 6.282 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(C)cc3)c2)cc1C 2325770076 WJTFAURCEAKBEA-UHFFFAOYSA-N 430.500 5.744 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3cc(Cl)ccc3Cl)c2)cc1 2325773595 KBCHITVIZJGHRU-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE C[C@H](C(=O)Oc1cccc(C=CC(=O)c2cc(Cl)ccc2Cl)c1)c1ccccc1 2325774558 JQLFUDQQXSQLKT-INIZCTEOSA-N 425.311 6.599 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(O)c(Cl)c1 2326570014 POSYGYGURKHTSU-UHFFFAOYSA-N 425.316 5.167 30 10 IKEE CCCOc1ccc(C=Nn2c(C)nnc2SCc2ccc(Br)cc2)cc1 2326608092 DMTFRPCIAFTORG-UHFFFAOYSA-N 445.386 5.312 30 10 IKEE CCCc1ccc(OCc2nnc(SCC)n2N=Cc2ccc(C(F)(F)F)cc2)cc1 2327351970 CVJNXPQSTWFAFQ-UHFFFAOYSA-N 448.514 5.823 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2ccccn2)cc1C 2328791267 ZYCOQAHEZLFJFL-UHFFFAOYSA-N 429.549 5.043 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3F)n2N=Cc2ccc(O)cc2)cc1C 2329428576 MKDSGJYLWBOXSC-UHFFFAOYSA-N 446.551 5.505 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccccc3Cl)n2N=Cc2ccc(F)cc2)cc1 2329523219 VRFTVMHUOVIEGT-UHFFFAOYSA-N 436.943 6.221 30 10 IKEE Cc1cccc(C=Nn2c(CCc3cccs3)nnc2SCc2cccc(F)c2)c1 2329644827 KXFAGAFQDUGODS-UHFFFAOYSA-N 436.581 5.747 30 10 IKEE Oc1ccc(C=Nn2c(CCc3cccs3)nnc2SCCc2ccccc2)cc1 2329667801 JRGCYNWTXROZPE-UHFFFAOYSA-N 434.590 5.047 30 10 IKEE Cc1ccccc1CSc1nnc(COc2ccccc2)n1N=Cc1ccccc1F 2329883768 NWDNVXNIGPSBQZ-UHFFFAOYSA-N 432.524 5.479 30 10 IKEE Oc1ccc(Cl)cc1C=Nn1c(Cc2ccccc2)nnc1SCCc1ccccc1 2330497517 NKSDQCWVVSXICS-UHFFFAOYSA-N 448.979 5.445 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2-c2cccs2)cc1 2330541266 ZWIQSHIXNPCHOU-UHFFFAOYSA-N 436.581 6.444 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2ccccc2Cl)cc1 2330700895 UMYYOIHNTJYOOW-UHFFFAOYSA-N 439.371 6.426 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1ccccc1Cl 2330705127 CNEGODBSJSDECE-UHFFFAOYSA-N 446.930 6.343 30 10 IKEE Cc1cccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccc(Cl)c(Cl)c2)c1 2330873384 MDMYOGWMJDBORJ-UHFFFAOYSA-N 447.435 6.656 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccccc3Cl)cc2[N+](=O)[O-])cc1C 2330934201 SYYOIKBTAVRINW-UHFFFAOYSA-N 435.863 5.980 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCC(=O)Nc3ccccc3)nnc2C(F)(F)F)cc1 2331109146 FLZROQMCAXGDOG-UHFFFAOYSA-N 447.486 5.033 30 10 IKEE Cc1ccc(CSc2nnc(C(F)(F)F)n2N=Cc2cccc3ccccc23)cc1 2331109265 XKFORBOFWPECPX-UHFFFAOYSA-N 426.467 5.933 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(F)c3)c(OCC)c2)cc1 2331208372 ZYZZNUCCKDLYBI-UHFFFAOYSA-N 434.463 5.738 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccco3)n2N=Cc2ccc(C(C)C)cc2)c1 2331210559 NIHINTYQNVGVTN-UHFFFAOYSA-N 430.577 6.453 30 10 IKEE COCCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(Cl)cc1Cl 2331281994 QYAJJHDPNOQAJO-UHFFFAOYSA-N 439.343 5.087 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2Cl)cc1 2331320305 WTJFRTARBPGZKT-UHFFFAOYSA-N 446.974 6.954 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3cc(OC)ccc3OC)cc2)cc1 2331377500 FPNLDYIJEWOYMH-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(C=CC(=O)c3cc(OC)ccc3OC)cc2)c1 2331381083 HDNCPKJYDSEURZ-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCCO4)cc2)cc1 2331397592 PWTHUJZLYXPALU-UHFFFAOYSA-N 442.511 5.871 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CC(C)C)nnc1SCc1ccc(Cl)cc1 2331467255 ULPQGVJKYOHPGF-UHFFFAOYSA-N 441.000 5.869 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1Cl 2331496326 KLAGZGYDCKVUFF-UHFFFAOYSA-N 441.011 8.016 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCC3)n2N=Cc2ccc(C(F)(F)F)cc2)c1 2331523351 RYFBQTNBGSUZLE-UHFFFAOYSA-N 444.526 6.356 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(SCc2cc(C)ccc2C)nnc1C(C)C 2331702026 GTXJTCYURRQFHM-UHFFFAOYSA-N 444.604 6.355 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)c1cnccn1 2331762783 NQYVWAYXEKXAAI-UHFFFAOYSA-N 436.895 5.179 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3cc4ccccc4n3C)cc2)cc1C 2331835492 ZKLSLGYVPYTOGO-UHFFFAOYSA-N 439.511 5.919 30 10 IKEE C[C@H](CCNC(=O)OC(C)(C)C)CCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339597536 RKIBRNHEEHZCJZ-GOSISDBHSA-N 446.397 5.046 30 10 IKEE COc1ccccc1COc1ccc2c(c1)O/C(=C/C1=Cc3ccccc3O[C@H]1C)C2=O 2127506 RTEUYVDLVWAUKU-HSOLMKNUSA-N 426.468 5.598 30 10 IKEE C=CCOc1ccc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1Br 14568841 FNGIZHWPIZGBNY-UHFFFAOYSA-N 441.281 5.112 30 10 IKEE CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(Cl)c2Cl)cc1 21235198 MUZSJEWLPQHFSH-YJBOKZPZSA-N 442.386 6.295 30 10 IKEE O=C(/C=C\C1=NN(c2ccccc2)[C@H](c2ccccc2)C1)c1ccc(-c2ccccc2)cc1 33395929 KIFCNWJRTXNGKJ-ZLBHOZEGSA-N 428.535 7.100 30 10 IKEE O=C(/C=C\c1ccc2ncccc2c1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O 33921173 FXEHMRFQWCIMSC-LCYFTJDESA-N 436.898 6.293 30 10 IKEE COc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(Br)cc3)c2)cc1 34954735 WQQQKFBQGNDUCM-LHHJGKSTSA-N 437.289 5.573 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2cccc([N+](=O)[O-])c2)c1)c1ccc(-c2ccccc2)cc1 34955634 QOVYUQLDHNPUBO-SFQUDFHCSA-N 449.462 6.377 30 10 IKEE Cc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3ccc(Br)cc3)cc1)N2 35167006 AARNPXITCXVHCB-IFGJPTHRSA-N 443.388 7.335 30 10 IKEE C=CCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2[C@H]1c1ccc(OCCCCCC)cc1 38594174 XVFACFRWRNTBRY-RUZDIDTESA-N 445.559 6.100 30 10 IKEE Cc1c(C(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)c(O)n([C@@H](C)c2ccccc2)c(=O)c1C#N 38622719 QKIDBTHTVNGGPZ-AXHNFQJDSA-N 445.346 5.117 30 10 IKEE COc1ccc(/C=C2\S/C(=N/c3nccs3)N(C3CCCCC3)C2=O)c(OC)c1 39865054 WMDGKJUHQFGOCB-LMCHCYRTSA-N 429.567 5.097 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCCC)c2)[C@@H]1c1cccc(OCC)c1 40101525 TZHOXMZOZVTUSR-QHCPKHFHSA-N 437.536 5.253 30 10 IKEE Sc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(Cl)cc1Cl 49050853 JSORKLJRJVWRRO-QPSGOUHRSA-N 448.162 5.642 30 10 IKEE CCCCCCn1c2ccccc2c2nnc(N/N=C/c3ccc(OCCCC)cc3)nc21 64981248 YBZMEQHJENSZMY-ZXVVBBHZSA-N 444.583 6.185 30 10 IKEE CCCCCCCOc1ccc(NC(=O)c2cc(Br)ccc2OC(C)C)cc1 100209710 QGEVEAVEIFOVEU-UHFFFAOYSA-N 448.401 6.838 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)N(CCC#N)CCc1ccccc1 100444514 PKMLBDKRSHRNJS-UHFFFAOYSA-N 443.701 6.547 30 10 IKEE C=CCOc1ccc(/C=C2\S/C(=N/c3cccc(C(=O)O)c3)N(CC)C2=O)cc1Cl 100938861 XDYGBVVLMVIJRH-QLIPUSLZSA-N 442.924 5.227 30 10 IKEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(C(C)C)cc2)cc1 102520853 IGKKIKNXSKMWIB-VFJWVMJUSA-N 446.572 5.818 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OC(=O)c4ccccc4Cl)ccc3C2=O)c2ccccc21 103024640 WVPREXVVWJCVTA-CFRMEGHHSA-N 443.886 6.150 30 10 IKEE CCOc1cc(/C=N\n2c(SC)nnc2C(C)C)ccc1OCc1ccccc1Cl 169915635 DPOSGUKCFJFCON-CFRMEGHHSA-N 444.988 5.637 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(F)cc2)=C(O)C(=O)N1c1ccc(C)c(C)c1 169943222 WKCDLHQDPDUIBM-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2cccc(C)c2)cc1C 169968529 FIZWJCOKVHWNPP-HSZRJFAPSA-N 449.453 5.373 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2CCC)cc1 169975896 OBAJYKSJXXSOQF-XMMPIXPASA-N 446.547 5.725 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@@H]2c2cccnc2)cc1C 170009584 BAGPWLQTQBPEIE-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 170056767 KHYYPKWQHGDXOM-IBGZPJMESA-N 444.339 5.833 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccccc2OC)=C(N2C[C@H](C)C[C@@H](C)C2)C1=O 170060063 XJWWSCLTTSDTLI-WOJBJXKFSA-N 426.601 5.114 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1)c1ccc2c(c1)CCO2 170062966 FLGWNCCWRJZLLS-QFIPXVFZSA-N 449.865 5.197 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1c[nH]c2ccccc12)c1ccc(Cl)cc1 170074067 IATYIZDTGZOVPW-JOCHJYFZSA-N 446.865 5.743 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccccc2C)c1 170086444 RJCQCEVGIPFZIH-VWLOTQADSA-N 427.500 5.106 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2nc3ccccc3[nH]2)o1 170103361 DFPIKQZYTKIEAI-HSZRJFAPSA-N 449.466 5.400 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2sccc2C)cc1 170105860 QRKCSVDIFASRNN-IBGZPJMESA-N 439.920 5.501 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2sccc2C)c1 170108005 AGQDAGREYDYNBO-NRFANRHFSA-N 435.520 5.591 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 170142309 COZHGAQNTUIYES-DEOSSOPVSA-N 433.467 5.131 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccccc1OC(C)C 170151200 BSONSEDQNZEJSD-XMMPIXPASA-N 433.548 5.341 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C(C)(C)C)ccc3C)[C@@H]2c2ccccn2)c1 170170647 XUZAWKSKWDDJBP-DEOSSOPVSA-N 440.543 5.779 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccncc2)c1 170200299 TYVITVWAVPIBRX-DEOSSOPVSA-N 442.515 5.269 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C2CCCC2)c1 170218809 KHNAEZOIQDTEJX-VWLOTQADSA-N 441.527 5.759 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1ccc(C(C)C)cc1 170246034 BVKIYYWAQOOYCV-FQEVSTJZSA-N 426.582 5.652 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2F)cc1C(C)C 170249104 FTCGVAHZHUKLBX-XMMPIXPASA-N 445.490 5.741 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccco2)c1 170285679 WTMAKXLRGAIDNZ-HSZRJFAPSA-N 431.488 5.467 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccco1)c1ccc2c(c1)CCCC2 170286903 HFBDODOOYKNAEC-QFIPXVFZSA-N 433.891 5.595 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2cccc(Cl)c2)o1 170303337 MSRDBDSSPVCRHN-OAQYLSRUSA-N 432.863 5.506 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2C2CCCCC2)o1 170308258 MTTDDVSPNRSHQT-QHCPKHFHSA-N 437.536 5.534 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1ccccc1O 170314604 VSRLCMKMWOYIOJ-SFHVURJKSA-N 425.893 5.198 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(OCC)c2)cc1 170359571 WYIBRLUGDKBXRB-DEOSSOPVSA-N 443.499 5.267 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccc(O)c(Cl)c1)c1cccs1 170366953 LJJXLNPGTRFJGJ-SFHVURJKSA-N 447.846 5.168 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1F)c1cccs1 170382034 SLLODEJVOSAWDK-SFHVURJKSA-N 447.409 5.689 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2cn(C)c3ccccc23)cc1C 170395485 VCTCFOVFFFXUTM-QHCPKHFHSA-N 426.472 5.171 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2c(C)[nH]c3ccccc23)c1 170403207 CVOGJYAMBWAZMQ-HSZRJFAPSA-N 442.540 5.938 30 10 IKEE Cn1cc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2ccc(F)cc2)c2ccccc21 170424143 QKBXKRLUPFUMBT-QFIPXVFZSA-N 446.503 5.157 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 170471226 RDVZVMIVXSSYON-JOCHJYFZSA-N 437.555 5.677 30 10 IKEE CCCCCCCCCCCn1c(CCNC(=O)/C=C\c2ccccc2)nc2ccccc21 207846489 TWHKSGYKKOILOH-MRCUWXFGSA-N 445.651 6.939 30 10 IKEE O=C1/C(=C/c2c[nH]c3ccc(Br)cc23)SC(=Nc2ccccc2)N1C1CC1 252611345 IJCKTLPHKMQYDC-BTXDWGDFSA-N 438.350 5.697 30 10 IKEE CCn1c2ccccc2c2cc(C=Nn3c(-c4ccc(OC)cc4)n[nH]c3=S)ccc21 254339679 GCMYYOBRGCTFPT-UHFFFAOYSA-N 427.533 5.626 30 10 IKEE CCOc1ccc(N=c2scc(-c3ccco3)n2N=Cc2c[nH]c3ccccc23)cc1 254733326 TTWVTSCXWFHAMN-UHFFFAOYSA-N 428.517 5.804 30 10 IKEE C=C1C[C@@]23CC[C@@H]4[C@](C)(CC[C@H](OC(=O)/C=C/c5ccccc5)[C@]4(C)C(=O)O)[C@H]2CC[C@H]1C3 257386683 BJQOPHXIKHSJOP-UBWASLQMSA-N 448.603 6.275 30 10 IKEE biogenic CC(C)Oc1cccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 526488664 LUGZHJOROOSGBM-DEOSSOPVSA-N 428.463 5.542 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccc(C(=O)O)cc1 526816397 AQNUJHHOYZWOLF-QRVIBDJDSA-N 428.945 5.147 30 10 IKEE N#Cc1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 586134563 UIOWDPWHQVONJG-UHFFFAOYSA-N 449.334 5.395 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2ncccc2C)cc1 586236648 ROOBEUAQRBMCFG-UHFFFAOYSA-N 447.604 5.780 30 10 IKEE CC(C)N1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)CC1 698483441 WIUJDMYORHQQCF-NRFANRHFSA-N 436.394 5.347 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@H](C#N)c1cc(Cl)ccc1Br 698816741 CUXVMCRHKZJPFQ-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@@](C)(C#N)c1ccc(Br)cc1F 698826522 FWGSJTCCPHPFCR-HNNXBMFYSA-N 425.220 5.126 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@H](C#N)c1cccc(Br)c1F 698858978 XNUPMHCJMYLHNA-QGZVFWFLSA-N 425.342 6.113 30 10 IKEE C=CCC1([C@@H](Cc2cccc(Cl)c2Br)NC)CN(C(=O)OC(C)(C)C)C1 722917760 GKAQUNVLKUNCOA-MRXNPFEDSA-N 443.813 5.046 30 10 IKEE C=CCC1([C@@H](NCCC)c2sccc2Br)CN(C(=O)OC(C)(C)C)C1 722937739 JVXQMZMURYEPJE-INIZCTEOSA-N 429.424 5.365 30 10 IKEE Cc1cc(N(CCC#N)C[C@@H]2CCCO2)ccc1N=Nc1ccc(Cl)cc1[N+](=O)[O-] 1088725932 LDGXSUPFTSYLSJ-SFHVURJKSA-N 427.892 5.871 30 10 IKEE Cc1sc2nc(CS[C@@H](C)C(=O)Nc3cc4ccccc4cc3C#N)nc(O)c2c1C 1528740589 HIWNQSQTGHVVHA-AWEZNQCLSA-N 448.573 5.299 30 10 IKEE CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(C)cc2)SC1=Nc1nccs1 1772735851 ISSBHRZGXAYKKV-VASVRFFCSA-N 435.574 5.654 30 10 IKEE C/C(C=NN=C1S/C(=C\c2cccs2)C(=O)N1Cc1ccco1)=C\c1ccccc1 1772758989 IVZXFHNYNAOJMB-QMJFFZQDSA-N 433.558 5.903 30 10 IKEE O=Cc1ccc(-c2c(F)c(F)c(F)c(F)c2F)nc1-c1c(F)c(F)c(F)c(F)c1F 1848358684 UYDOEPKJINBXBM-UHFFFAOYSA-N 439.208 5.619 30 10 IKEE Cc1ccc(CCC(=O)Nc2cccc3c(OC(=O)c4cccc(C#N)c4)cccc23)cc1 1858924987 PJZIKDOZSLLSED-UHFFFAOYSA-N 434.495 5.810 30 10 IKEE COc1ccc(Cl)c(-c2cc(C(=O)Nc3ccccc3C#N)nn2-c2ccccc2)c1 1859405310 HMCDTBFAEHFPLM-UHFFFAOYSA-N 428.879 5.325 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)CCCOc1c(C)cccc1C 1861678629 QTVDWUHCQVPFFW-QHCPKHFHSA-N 432.649 5.614 30 10 IKEE CCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)CCCOc1ccc(C(C)(C)C)cc1 1861693343 XIWWQPCLKKCZSV-DEOSSOPVSA-N 444.660 5.611 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CCCCCO)c1 1862380070 SDKVQTWIDLQTBA-FQEVSTJZSA-N 448.346 5.043 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CC(C)C)c1 1862385472 QGFNWJJYLJUNLJ-IBGZPJMESA-N 434.319 5.236 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(F)cc1F)c1ccc(F)cc1F 1862416549 HHPJNKNSLVHJCF-FQEVSTJZSA-N 433.401 5.154 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@H]2c2cccc(C)c2)cc1 1862429446 NABBQELLCPZTKX-HSZRJFAPSA-N 431.919 5.735 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(C(C)(C)C)cc1 1862435478 XCRSOTMXXDMDRH-VFNWGFHPSA-N 425.956 6.014 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(O)c1 1862442529 KDJGBKAVFKBFTK-UGKGYDQZSA-N 441.955 5.983 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(C(C)(C)C)cc1 1862449540 NNJBDEAIKHITIU-JOCHJYFZSA-N 439.983 6.262 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2C)cc1 1862475206 GQZSXFQWKCRCAM-DEOSSOPVSA-N 427.500 5.091 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccc(Cl)cc2Cl)cc1 1862481928 HWEJOUZDEPSGIH-FQEVSTJZSA-N 448.346 5.305 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccc(O)cc2)ccc1F 1862507497 MQGVYTSXOAGUHK-QHCPKHFHSA-N 435.495 5.309 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@H]1c1cccc(F)c1 1862517344 LEXSSFVKOZZVFX-HSZRJFAPSA-N 439.527 5.773 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccccc2Cl)cc1 1862536171 SEHXPQIXDWKKIH-QHCPKHFHSA-N 437.967 6.204 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(CC)cc1 1862555149 AMNRHQYDNMGFCF-XMMPIXPASA-N 434.580 5.770 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CCCO)cc1 1862584030 OMMQHTNHFUDDGU-FQEVSTJZSA-N 448.346 5.078 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccc(F)cc2)cc1 1862662108 HNDSEURZKLAQET-CJAUYULYSA-N 443.518 6.289 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccc(F)c2)cc1 1862663575 UTRPJNMXTWWDFG-QFIPXVFZSA-N 435.520 5.789 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccc(C)cc2)c1 1862676481 JZAWXNJAZGEIGB-XMMPIXPASA-N 445.490 5.311 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862705827 HWRTXOMEBHSDQQ-DJJJIMSYSA-N 433.426 5.091 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C2CC2)c1 1862718917 FWPHKDHVMRHINZ-DEOSSOPVSA-N 427.500 5.369 30 10 IKEE Cc1cccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3cccc4ccccc34)C2=O)c1 1862844677 AGTPGMULWSDNOQ-UHFFFAOYSA-N 429.479 5.417 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(C(F)(F)F)cc3)C2=O)cc1 1862900008 QSIVSRXEWDDEJA-UHFFFAOYSA-N 447.416 5.282 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc4ccccc4c3)C2=O)c1 1863024724 CHACULLDLUJQII-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)c(F)c2)=C(c2ccc(F)cc2F)C1=O 1863317449 GMZYNKOBHMCHQL-UHFFFAOYSA-N 448.460 5.796 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(Nc3ccccc3C#N)=C(c3ccccc3Cl)C2=O)c1 1863452263 FKFNRVYJHQGNJT-UHFFFAOYSA-N 441.918 5.221 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCCC)=C(c2ccccc2[N+](=O)[O-])C1=O 1863593662 JWGXSQMRHQBPSL-UHFFFAOYSA-N 443.588 5.595 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCOC(C)C)=C(c2ccc(C)c(C)c2)C1=O 1863607547 HWUANBMEZMBYRC-UHFFFAOYSA-N 428.617 5.149 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2cccc(C)c2)=C(c2ccc(C)cc2)C1=O 1863619834 IJLQIEOMWBGLQT-UHFFFAOYSA-N 446.635 6.314 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccc(C)cc2)=C(c2c[nH]c3ccccc23)C1=O 1863817325 FTLMNEHRYDIUIG-UHFFFAOYSA-N 443.591 5.707 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(OCC)c(OCC)c1 1866029671 ANRBZIWDSIJZFV-UHFFFAOYSA-N 447.704 8.684 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](NC(=O)C[C@H](c1ccc(C(C)C)cc1)C(C)C)c1ccccc1 1868703661 GEQBWTZPKLVEER-XTEPFMGCSA-N 446.635 5.998 30 10 IKEE CCCCCCCCCCn1cc(OCCc2ccccc2)c(=O)cc1CN(C)CCO 1870690944 DKDGEMVYUJAGEE-UHFFFAOYSA-N 442.644 5.035 30 10 IKEE C=CCOc1cn(Cc2cccnc2)c(CNc2ccc(Cl)c(C(F)(F)F)c2)cc1=O 1870810513 GRYQJRFTVUADRA-UHFFFAOYSA-N 449.860 5.141 30 10 IKEE CCCCCCCCCCn1cc(OCC(N)=O)c(=O)cc1CNc1ccc(CC)cc1 1871118406 OPOQSWRIAVSLRC-UHFFFAOYSA-N 441.616 5.028 30 10 IKEE Cc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(C23CC5CC(CC(C5)C2)C3)C4)cc1 1871352939 IOXQJKRWIMYTKE-GATIEOLUSA-N 441.571 6.040 30 10 IKEE CCc1ccc([C@@H](C)N2COc3cc(C)c4c(c3C2)O/C(=C\c2sccc2C)C4=O)cc1 1871354048 FQAPIFNCOJXAHG-VLZFXTDASA-N 445.584 6.457 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OC(=O)CCc3ccc(C)cc3)cc(C)c2C1=O 1871366521 JNIQGUCBWJBEBE-IWIPYMOSSA-N 428.484 5.466 30 10 IKEE O=C(Cc1cc(Cl)ccc1Cl)Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O 1871376328 FTDOZCORAPZELR-FBHDLOMBSA-N 443.257 5.897 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc(OC)cc4)ccc3C2=O)cc1 1871376652 BFLWWUUMGNDYIX-YOVYXIJGSA-N 442.467 5.329 30 10 IKEE COc1ccccc1/C=C1\Oc2c(ccc(OC(=O)c3cccc(OC(C)C)c3)c2C)C1=O 1871388278 MWUVKASDPWKXRL-IWIPYMOSSA-N 444.483 5.626 30 10 IKEE Cc1cc(OC(=O)CCc2cccs2)cc2c1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O2 1871392488 ZIUPNGHYJJPQLL-NDENLUEZSA-N 435.457 5.119 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4cccc(C)c4C)ccc3C2=O)cc1 1871414371 UCTWLJLPQVGBAM-ILRHRSLTSA-N 427.500 5.634 30 10 IKEE CCCOC(=O)[C@H](CC)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 1871433636 NKKLVSMOHVOHGU-ISRVBRPNSA-N 435.303 5.720 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4cc(Cl)ccc4C)c3C)C2=O)c1 1871457485 JNKOMUIXGKRFDL-FMCGGJTJSA-N 447.918 5.899 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1C 1871459551 QSFMGFMSFHKTCU-FMCGGJTJSA-N 433.891 5.591 30 10 IKEE C=CCN([C@@H](C)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(=O)(=O)c1ccc(C)cc1 1872207930 PRWBIRVGXJYCBN-NRFANRHFSA-N 448.588 5.174 30 10 IKEE CCc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1 1872761172 HUFYPQZOCRTYGC-DYVFJYSZSA-N 445.371 6.323 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccc(Cl)cc3)n2)cc1OC 1872761182 HYSQRYSPWBOVKL-SUMWQHHRSA-N 442.924 5.124 30 10 IKEE CCOc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2cccc3ccccc23)cs1 1872775443 QPMPRSYGUHZMCF-FQEVSTJZSA-N 428.513 5.617 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@@H]2CCCC[C@H]2C)=C(c2ccccc2F)C1=O 1873031152 OFNVCUKGPNRPGW-NFBKMPQASA-N 442.619 6.215 30 10 IKEE Cc1ccccc1COc1ccccc1/C=N/Nc1oc([C@@H]2C[C@@H]2c2ccccc2)nc1C#N 1873470268 DOGRESZFIWZVFC-NHRMUOROSA-N 448.526 6.151 30 10 IKEE CCCCCCCCN=c1nc2c(cnn2-c2ccccc2)c(Nc2ccc(CC)cc2)[nH]1 1873478401 VTDDMXPFLXRBSM-UHFFFAOYSA-N 442.611 6.316 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc3c(c1)OCO3)n2CC 1873619599 ITBINNIGXOVTSN-UHFFFAOYSA-N 437.544 5.205 30 10 IKEE Cc1c(CCC(=O)Nc2ccc(C#N)cc2)c(=O)oc2c(C)c3oc4c(c3cc12)CCCC4 1873864703 USZSLTOLVGUVLG-UHFFFAOYSA-N 440.499 5.478 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC)Oc1ccc2c3c(c(=O)oc2c1)CCCC3 1873935561 VIJFAHKRNKENSQ-XMMPIXPASA-N 441.612 6.086 30 10 IKEE C=CCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccccc1OC 1874232982 XIKRVCKNKKJRON-NLRVBDNBSA-N 428.561 5.385 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc(OC)c2)n1/N=C/c1cccc(OCC)c1 1874310230 LHOIFXABAOUAFA-PCLIKHOPSA-N 436.581 5.021 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3C)n2/N=C/c2cccc(O)c2)c1 1874361730 SDHKNNMMSDHQCQ-WPWMEQJKSA-N 442.588 5.560 30 10 IKEE Clc1ccccc1/C=N/n1c(SCc2cccc3ccccc23)nnc1[C@H]1CCCO1 1874450193 VTBVBZREBNZSHG-QVGKIPNLSA-N 448.979 6.111 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3)nnc2C(F)(F)F)cc1 1874458792 FLZROQMCAXGDOG-BRJLIKDPSA-N 447.486 5.033 30 10 IKEE FC(F)(F)c1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(Cl)cc1 1874462682 AEYQYNZMLIGFME-NUGSKGIGSA-N 431.270 5.778 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2ccc(C)cc2)nnc1-c1ccco1 1874464042 ODQBFICPXILTGG-PCLIKHOPSA-N 430.533 5.586 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(OCC)c(OCC)c1 1874504002 FNBYXGQZPSVTLC-MFKUBSTISA-N 442.560 5.342 30 10 IKEE CC(C)c1nnc(SCc2ccc(F)cc2)n1/N=C/c1cccc(Br)c1 1874510548 SRQABRQZGIGAAO-SSDVNMTOSA-N 433.350 5.478 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2C(C)C)cc1 1874512439 XYJCLBURWKDCET-MFKUBSTISA-N 426.561 5.894 30 10 IKEE C=C(C)CSc1nnc(C2CC2)n1/N=C/c1ccc(OCc2ccc(C)cc2)c(OC)c1 1874519529 XHJYVFBWJISNHR-VULFUBBASA-N 448.592 5.602 30 10 IKEE Sc1nnc(-c2ccccc2)n1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1874558932 JBHYOMAUDHPCBK-WPWMEQJKSA-N 436.540 5.848 30 10 IKEE O=C(/C=C/c1ccccc1OCc1c(Cl)cccc1Cl)c1ccc2c(c1)CCCC2 1874572161 YQUVAHITXKIFSD-CCEZHUSRSA-N 437.366 7.347 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Cl)ccc1OCC(=O)Nc1cccc(C)c1C 1874577068 UXIWKCAYIIQKGL-ACCUITESSA-N 449.934 5.879 30 10 IKEE O=C(/C=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)c1ccc(F)c(F)c1 1874585306 ROKABRPFTPVBOI-ACCUITESSA-N 445.421 6.501 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2C)c(C)c1C 1874586297 GLPFLYHYHUMMPW-SDNWHVSQSA-N 443.543 5.842 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1c(OCc2ccccc2)ccc2ccccc12 1874591879 GVKSKSDXVQKIEH-BUHFOSPRSA-N 428.915 6.977 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1OCc1ccc(Cl)cc1 1874592971 LRHQWZFJTQRRBM-RIYZIHGNSA-N 432.947 6.703 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 1874607626 WVKOKAQCEISXEE-OQLLNIDSSA-N 433.479 6.552 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(OC)c1OCc1ccccc1F 1874612460 WHDGCHRQCYWKOS-ZHACJKMWSA-N 426.871 5.971 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OCC(=O)Nc1ccccc1F 1874617713 PYUGYFQCZYQIOV-JLHYYAGUSA-N 447.506 5.755 30 10 IKEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2[N+](=O)[O-])o1 1874624273 UQAPCQXNTSVYBK-NYYWCZLTSA-N 449.459 5.573 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c([N+](=O)[O-])c2)c(C)c1 1874635616 UPSGAYGHXWLFLY-UXBLZVDNSA-N 446.459 5.903 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2)cc1 1874694542 ITCFYIUTYQTGFA-MDWZMJQESA-N 435.863 5.926 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OC(=O)c1cccc2ccccc12 1874701152 DXXHPVODUYIVFV-NTCAYCPXSA-N 436.507 6.581 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OC(=O)CCc1ccccc1C 1874708033 JDMJXTYUZFRYKO-CXUHLZMHSA-N 442.555 6.561 30 10 IKEE CCC(=O)Oc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)c(Br)cc1OC 1874713400 UPRBRRZJZIHOMD-BQYQJAHWSA-N 447.325 5.295 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1cncc(C)c1 1875096046 TYQXWOYVJQTGJT-XYOKQWHBSA-N 437.495 6.057 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(Cl)c1OC(=O)COC 1875097490 NDFZHJHQHMUGGZ-DHZHZOJOSA-N 428.912 5.065 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(OC)c1OC(=O)CC1CCCCC1 1875111680 NVXIBVFAWUWHOY-OUKQBFOZSA-N 442.939 6.129 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3c(C)ccc(C)c3C)cc2)cc1 1875112878 RTPKLPFOHKUULW-CXUHLZMHSA-N 430.500 5.501 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3C)c([N+](=O)[O-])c2)cc1F 1875152710 HPIFMMVPPFTNKK-JXMROGBWSA-N 435.407 5.166 30 10 IKEE O=C(Cc1ccccc1)Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1[N+](=O)[O-] 1875155152 OQPKUGOIJFTWFL-FYWRMAATSA-N 437.451 5.792 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc(Cl)c1OC(=O)c1ccco1 1875169133 AYZJRYXFJITDPH-BQYQJAHWSA-N 440.879 5.682 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc(Cl)c1OC(=O)C1CCC1 1875188239 QWTVJQNJDLURNS-MDZDMXLPSA-N 442.939 5.966 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(C1)CC(C#N)(N(Cc1cccs1)C(=O)OC(C)(C)C)C2 1917717020 BHILHNNBJOPFNN-UHFFFAOYSA-N 447.601 5.169 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1c(F)ccc(NC(=O)OC(C)(C)C)c1F 1922060734 RZGISEMWASCSMF-JOCHJYFZSA-N 432.511 5.735 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1scc(Br)c1C 1923038047 NGQSTQVMANYWGY-HOTGVXAUSA-N 429.424 5.166 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(C(=O)OC(C)(C)C)[C@H]3CCC[C@H]32)c1 1926541878 LKLRZMZQVPGMNZ-OHUGHZGNSA-N 441.572 5.418 30 10 IKEE CC[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)CN1Cc1ccccc1 1942589116 HWKHDJKMSSVCJO-ATIYNZHBSA-N 425.617 5.893 30 10 IKEE N#Cc1ccc([C@H](CCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c(F)c1 1951643470 JWNNQWGTVZZJKO-DEOSSOPVSA-N 444.462 5.142 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)C1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 1997653044 PQPYFBKZDHHBFQ-ROUUACIJSA-N 429.561 5.213 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@@H](C#N)[C@@]1(C)CCCN1C(=O)OC(C)(C)C 2020799432 VYRZHPYDGYDGPY-FDDCHVKYSA-N 433.524 5.249 30 10 IKEE C=CCC[C@@H](C)[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCC 2040533903 OBLBAIAADHPNHP-VWNXMTODSA-N 443.676 5.516 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Cc1ccc(Cl)c(Br)c1F 2047924705 OUPYPZNBDNUOTL-ZDUSSCGKSA-N 434.733 5.213 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C12CCC2 2057185981 SSKFYTFZKLQKQW-RUZDIDTESA-N 447.620 5.772 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Cl)c(Br)c1F 2063095939 XQQZVSUGAPWWMN-CZUORRHYSA-N 435.765 5.362 30 10 IKEE C[C@@H]1C[C@](C#N)([C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CO1 2071349396 OAHFVZQEBAROOG-LNYUQPRGSA-N 429.516 5.197 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CC[C@H](CC)CC1 2073935973 CJLSZTQIOZXTJI-DPPGTGKWSA-N 444.660 5.991 30 10 IKEE CCc1ccc([C@@H](n2nc(C3CC3)c(C#N)c2I)C(C)(C)C)cc1 2079070119 BEVWETNNPYEBIM-GOSISDBHSA-N 433.337 5.435 30 10 IKEE CC(C)[C@@H]1CC=C(C(=O)c2ccc(I)c(Br)c2)CC1 2125192623 JYLCTWSFPLUZSG-LLVKDONJSA-N 433.127 5.619 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2cc(C)c(Br)s2)c1 2137593427 UAWNFLFNYHXTRZ-OAHLLOKOSA-N 437.359 5.834 30 10 IKEE C=C([C@H](NCCC)[C@@H](O)c1cc(Br)c(Br)s1)C(C)(C)C 2152976736 JVYCZSLNQADMOI-STQMWFEESA-N 425.230 5.277 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(Nc3cc(Br)cc(C#N)c3)CCCCC[C@@H]12 2162344823 XSGXCVHYRMNQEC-NQIIRXRSSA-N 434.378 5.445 30 10 IKEE CCOc1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCC2)cc(Br)c1O 2187807141 VVXSOPJIMHPMSO-MRXNPFEDSA-N 439.350 5.298 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCCC)c2c(F)ccc(F)c2Br)C1 2197747702 GIBLDDOLHZNLBB-QGZVFWFLSA-N 445.348 5.382 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1sc(C)c(Br)c1C 2226137245 DQNSELOUWUIXRA-DOTOQJQBSA-N 443.451 5.475 30 10 IKEE C=C(C)C[C@@H](NCCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229122301 FKIBBFOVTRLCPW-RTBURBONSA-N 425.411 5.219 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)cc1CC 2229252561 SAGNQQIHKFGBBJ-OALUTQOASA-N 425.411 5.522 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCC[C@]2(C#N)Nc2ccccc2Br)C1 2233748983 GEUVKZLUXLNEPC-GCKMJXCFSA-N 434.378 5.180 30 10 IKEE CCC#CC[C@H](NCCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237424404 IKHHIHGUUDWDBS-PMACEKPBSA-N 437.422 5.057 30 10 IKEE CN[C@@H](C#Cc1ccc(C)cc1)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2239637039 XXWHOIISIHNXJA-IBGZPJMESA-N 429.358 5.417 30 10 IKEE CCCN[C@@H](C#CC1CCCCC1)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2260977186 QQSFNDZJMBDWKK-GVXSCFBNSA-N 442.644 5.437 30 10 IKEE C=CCCC1([C@H](NCCC)c2cc(Br)cs2)CN(C(=O)OC(C)(C)C)C1 2266318501 SQNDIGKACNUEPT-QGZVFWFLSA-N 443.451 5.755 30 10 IKEE C=CCCC1([C@@H](NC)c2cccc(Cl)c2Br)CN(C(=O)OC(C)(C)C)C1 2272006588 CNIZIISRDWAGMQ-KRWDZBQOSA-N 443.813 5.566 30 10 IKEE CN[C@@H](C#Cc1ccccc1Cl)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2295227600 XBXXYIAWRWYKKW-IBGZPJMESA-N 449.776 5.762 30 10 IKEE CCN[C@@H](C#Cc1cccc(Br)c1)C[C@@H](CC(C)C)NC(=O)OC(C)(C)C 2296266792 MDWWOIKKCFIBFW-VQTJNVASSA-N 437.422 5.108 30 10 IKEE O[C@H](C#Cc1cccc(Br)c1)c1c(Cl)cc(Br)cc1Cl 2296289934 XJHJJYGIOWAVJH-CQSZACIVSA-N 434.942 5.604 30 10 IKEE CN[C@H](C#Cc1ccc(Br)cc1)CCC[C@H](NC(=O)OC(C)(C)C)C(C)C 2296294930 YVLSNKGBQRDPBE-PMACEKPBSA-N 437.422 5.108 30 10 IKEE COc1ccc(C(O)=C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)C)cc2)cc1 2297740759 IUMNLIPDPAHJGZ-QHCPKHFHSA-N 431.488 5.034 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2308985693 PKJSPCOKTGOPMV-GJFMVHJQSA-N 445.535 5.153 30 10 IKEE Cc1ccc(COc2ccc(C=Nn3c(S)nnc3CCc3cccs3)cc2)cc1 2321988281 WRIWXZGPFSRKPL-UHFFFAOYSA-N 434.590 5.183 30 10 IKEE O=C(COc1ccc2ccccc2c1C=CC(=O)c1ccccc1Cl)Nc1ccccc1 2322436458 FKXNURSZWNTIGR-UHFFFAOYSA-N 441.914 6.407 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)c1OCc1ccccc1F 2322585760 SCAWWLQJBSYSKJ-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OC)c1OCc1c(F)cccc1Cl 2322649210 UWQVNSBFAKTPHU-UHFFFAOYSA-N 440.898 6.280 30 10 IKEE Cc1c(OC(=O)c2ccc3c(c2)OCO3)ccc2c1OC(=CC=Cc1ccccc1)C2=O 2322775620 FVCGTIWWNRWJPS-UHFFFAOYSA-N 426.424 5.115 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccccc1OCc1ccc([N+](=O)[O-])cc1 2322952875 VSFWQISNULPYKT-UHFFFAOYSA-N 429.516 6.676 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2ccccc2OCc2ccccc2C)cc1Cl 2322969231 XJJBENGKPJOIDE-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OCc2ccc(Cl)cc2)c1 2323230169 RUVJBKXALSMNQR-UHFFFAOYSA-N 434.963 7.121 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4Cl)ccc3C2=O)c1 2323302330 QYZUMFVJHAZKBS-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)ccc1OCc1ccccc1C 2323353720 FLZWBVMLDIIKED-UHFFFAOYSA-N 448.562 7.536 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)Oc1ccc2c(c1)OC(=Cc1ccc(C)o1)C2=O 2323666571 STMYYRPVDCUGCY-UHFFFAOYSA-N 445.254 5.739 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2ccccc2OC)cc1OC 2323719265 CJOBHMLSCYAIFD-UHFFFAOYSA-N 445.515 5.180 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2OC)ccc1OCC(=O)Nc1cc(C)ccc1C 2323719364 MPPXYKVWPTTZMM-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(Cl)c2)C3=O)c1 2323858187 PFVQGZYXXMYIBU-UHFFFAOYSA-N 446.886 6.049 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCc3cccc(Cl)c3)c(Br)c2)cc1 2323900618 NCEKILMUTZUQCZ-UHFFFAOYSA-N 441.752 6.886 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 2324055424 QDYPRISQCKGHRO-UHFFFAOYSA-N 441.571 6.515 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1F 2324102918 HYMBYMLWMIBDRP-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE O=C(C=Cc1ccc(OCCO)c(Br)c1)c1ccc(Oc2ccccc2)cc1 2324281539 SPUGBHDUNOJZAP-UHFFFAOYSA-N 439.305 5.509 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OCC(=O)OCC(C)C)c(Cl)c2)c1C 2324339262 ORVPOAAHVYYSTR-UHFFFAOYSA-N 428.956 6.048 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)ccc1OCc1cccc(Cl)c1 2324670279 KLZWWSWNWYCGKO-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE Cc1c(OCc2ccc(C#N)cc2)ccc2c1OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2324760643 KVEPTNKPLMKRDX-UHFFFAOYSA-N 436.294 6.369 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1cc(C)c2c(c1)OC(=CC=Cc1ccccc1)C2=O 2325098519 KNYWYHKYWSLADQ-QHCPKHFHSA-N 448.559 6.448 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccccc1F 2326074065 HGNIFAMDNKFYJP-UHFFFAOYSA-N 444.963 5.633 30 10 IKEE Cc1cc(C)cc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccccc2O)c1 2326422071 XSAQOLIZDFEXPD-UHFFFAOYSA-N 428.561 5.366 30 10 IKEE CCCCOc1cccc(C=Nn2c(CCCC)nnc2SCc2cccc(F)c2)c1 2326736242 XGNWLBXOZQHQRF-UHFFFAOYSA-N 440.588 6.113 30 10 IKEE Fc1ccccc1CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccc[nH]1 2326912670 FLBBNFGXOCHFSW-UHFFFAOYSA-N 449.599 5.679 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3C)n2N=Cc2ccccn2)c(C)c1 2328880226 QWHUZAMZAZEIAM-UHFFFAOYSA-N 443.576 5.352 30 10 IKEE Cn1cccc1C=Nn1c(SCc2ccccc2Cl)nnc1-c1ccccc1Cl 2329587385 SKTVJHIVRIUMAG-UHFFFAOYSA-N 442.375 5.765 30 10 IKEE COc1ccc(C=Nn2c(Cc3ccc(C)cc3)nnc2SCc2ccccc2C)cc1 2329938760 SEOJNLQWMNFTKE-UHFFFAOYSA-N 442.588 5.669 30 10 IKEE CCOc1cccc(C=Nn2c(CC3CCCCC3)nnc2SCc2cccc(C)c2)c1 2330245965 ZHDVBZYCPAJJAE-UHFFFAOYSA-N 448.636 6.283 30 10 IKEE COc1cccc(C=Nn2c(Cc3ccccc3)nnc2SCc2cccc(C)c2)c1O 2330468315 OLDQZLFGCVGDFF-UHFFFAOYSA-N 444.560 5.066 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2ccccc2C)o1 2330665793 IXHXVLIJRACURR-UHFFFAOYSA-N 446.532 5.198 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)CCOc3ccccc3)c(OC)c2)cc1 2330770392 DSISJQCLRKMXIH-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE C=C(C)CSc1nnc(CC(C)(C)C)n1N=Cc1ccc(OCCCC)c(OCC)c1 2330840918 MSCFEXQAMOIWBZ-UHFFFAOYSA-N 444.645 5.995 30 10 IKEE CC(C)Oc1ccc(C=C(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)c2ccccc2)cc1 2330873188 NHNRFJNKKDIXAT-UHFFFAOYSA-N 438.527 5.176 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)c3ccccc3)c(OC)c2)cc1C 2330881105 UGNBZQZJZXAMJV-IBGZPJMESA-N 430.500 5.617 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)c1cccnc1 2330935044 IUNZXNFJMPKCHK-UHFFFAOYSA-N 442.298 5.902 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCc3ccccc3)nnc2[C@@H]2CCCO2)cc1 2330954804 FNQDVXPXCPQBDK-QFIPXVFZSA-N 436.581 5.483 30 10 IKEE Cc1ccc(CSc2nnc(C3CCCC3)n2N=Cc2c(Cl)cccc2Cl)cc1 2331018494 ATGHQNKGRPFKET-UHFFFAOYSA-N 445.419 6.725 30 10 IKEE Oc1ccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CCCC2)cc1 2331093941 OSUICDHPHCILJF-UHFFFAOYSA-N 447.391 6.123 30 10 IKEE Cc1cccc(CSc2nnc(C(F)(F)F)n2N=Cc2ccc(Cl)cc2Cl)c1 2331122918 DOGXTAGBWLWSAH-UHFFFAOYSA-N 445.297 6.087 30 10 IKEE Fc1cccc(C=Nn2c(SCc3cccc4ccccc34)nnc2-c2ccco2)c1 2331216326 VKLJIOVXVYHMNR-UHFFFAOYSA-N 428.492 6.005 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)c(Cl)c2)cc1 2331265864 JJJATROSJPYPPH-UHFFFAOYSA-N 435.863 5.980 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3OC)cc2)c1 2331352373 NTUXRDPYOJMHLV-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccccc2OC)c([N+](=O)[O-])c1 2331362954 XRRRKTXRQUXESO-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)C)n2N=Cc2ccc(C(F)(F)F)cc2)c1 2331455883 VINLFZYMYMFJEC-UHFFFAOYSA-N 446.542 6.287 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccnc3)cc2)cc1 2331541601 LJLNJIVRHMEWQD-UHFFFAOYSA-N 443.543 6.546 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc3c(c2)OCO3)cc1 2331660226 XABBSPGOMPOCCC-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE CCc1ccc(C=Nn2c(SCC(=O)Nc3ccccc3CC)nnc2C(C)C)cc1 2331678644 NGSHYBVKHGOYRE-UHFFFAOYSA-N 435.597 5.139 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2c[nH]c3ccccc23)c(C)c1 2331712844 UGAJPKARBPWAQI-UHFFFAOYSA-N 446.580 5.113 30 10 IKEE COc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2OC)cc1 2331715489 WHNRTBMISSSWRQ-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)C3CCC3)c(Br)c2)c(C)c1 2331769083 XOYOTAWYPFWHAD-UHFFFAOYSA-N 427.338 5.976 30 10 IKEE C[C@H](CCC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CCC(=O)C=C1C[C@H]3O)C(=O)O 2333314525 SATGKQGFUDXGAX-GVSVBTKRSA-N 430.629 5.632 30 10 IKEE CC[C@@H](CCCNC(=O)OC(C)(C)C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339582131 ORURWDCUTUOGAS-IQGVVSCOSA-N 446.397 5.189 30 10 IKEE O=C1C(c2ccccc2)=C(c2ccccc2)[C@@]2(c3ccccc3)C=NN[C@@]12c1ccccc1 1584196 PUVLZQLQKKEMNT-KYJUHHDHSA-N 426.519 5.603 30 10 IKEE CCCCCSc1nc2n(n1)[C@H](c1ccc([N+](=O)[O-])cc1)C1=C(CC(C)(C)CC1=O)N2 20850336 KRNFPVXBBMHWIP-LJQANCHMSA-N 441.557 5.127 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc3ccccc23)cc1 21257378 JNVYXHLKDPNUOF-YKSBVNFPSA-N 425.528 5.633 30 10 IKEE O=C1C[C@@H](c2ccccc2)CC2=C1C(c1ccco1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 22500516 ZOMAHBYSHWQBDZ-BTKIAVBMSA-N 435.523 5.768 30 10 IKEE CCC(C)(C)[C@@H]1CCc2sc3ncnc(N/N=C\c4c(F)cccc4Cl)c3c2C1 27527947 PFEWZTWVQXTLCZ-ZMDPPLQJSA-N 430.980 6.471 30 10 IKEE CCCn1cc(CN/C(=N/C(=O)c2ccc(C)c(F)c2)Nc2cc(C)ccc2C)c(C)n1 32972877 YGTKJDUOILVOKE-UHFFFAOYSA-N 435.547 5.064 30 10 IKEE CCCOc1ccc2cc(C(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)c(=O)oc2c1 33811239 BDWKKFKAFTWOEU-UHFFFAOYSA-N 425.440 5.340 30 10 IKEE Cc1cccc(/N=C2/S/C(=C\c3ccccc3OCc3ccc(Cl)cc3)C(=O)N2C)n1 39863217 OJQLSDHNLYRGCV-WSUVFPRVSA-N 449.963 5.856 30 10 IKEE Cc1c(/N=N/c2ccccc2Br)c(O)n([C@H](C)c2ccccc2)c(=O)c1C#N 39871003 ODBZQNDRFXCKJC-INRROWENSA-N 437.297 5.521 30 10 IKEE CCc1ccc(Nc2sc3c(-c4ccc(Cl)cc4)c(C#N)c(N)nc3c2C(N)=O)cc1 39895245 DLMHZHDHDSBYFC-UHFFFAOYSA-N 447.951 5.475 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1ccc(OCCC)cc1 40080207 MSVHBNLGVHEIII-HSZRJFAPSA-N 437.536 5.171 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(C(C)(C)C)cc1 40085399 VFANQHFXXKEQHB-HSZRJFAPSA-N 435.564 5.680 30 10 IKEE CCOc1ccc(CCC(=O)Nc2sc(=S)c3c(c2C#N)CC[C@H](C)C3)cc1OC 41019124 KYESDCBRQFJXMA-AWEZNQCLSA-N 442.606 5.453 30 10 IKEE CCCCCCCOc1cccc(NC(=O)CNc2ccc(OC[C@H]3CCCO3)cc2)c1 100078474 MCZONACHEDBCPR-RUZDIDTESA-N 440.584 5.644 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)c1ccccc1OCCOCC 100234236 LXSNNYKKOLACPL-UHFFFAOYSA-N 433.677 7.313 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N\Nc1ccccc1)CC(C)(C)C2 101108909 LDJPEPXCEKLHJR-BRPDVVIDSA-N 435.955 6.591 30 10 IKEE CCCCCCCOc1c(Cl)cc(C(=O)Nc2ccccc2C(F)(F)F)cc1Cl 101138327 NXDVTMVTCXLPHF-UHFFFAOYSA-N 448.312 7.614 30 10 IKEE CCCCCCCOc1ccc(C(=O)N(Cc2ccccc2F)C[C@H]2CCCO2)cc1 101356715 LKHMLFCVTKDRBJ-XMMPIXPASA-N 427.560 5.996 30 10 IKEE Cc1c(OC(=O)/C=C\c2ccccc2)ccc2c1O/C(=C/c1cn(C)c3ccccc13)C2=O 103025024 OVYJDMMALFZLBV-SVEUREPUSA-N 435.479 5.722 30 10 IKEE CCN(CC)CCN1C(=O)C(=O)/C(=C(\O)c2ccc(C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 103107519 MPXDNGCESKKRIU-QQYUXEJHSA-N 448.607 5.056 30 10 IKEE CCOc1cc(/C=N/Nc2ccc(C)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 169877571 CWDFDRUFOFNNDX-VULFUBBASA-N 429.347 6.726 30 10 IKEE CCOc1cc(/C=N\n2c(C)nnc2S)ccc1OCc1ccc(Cl)c(Cl)c1 169909245 CHSHGYMUEWNPEK-YVNNLAQVSA-N 437.352 5.042 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(Oc3cc(C)cc(C)c3)cc2)NC(=S)N1 169937901 ZJJASPSVHDKXIX-DEOSSOPVSA-N 428.557 5.771 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(F)c(C)c2)=C(O)C(=O)N1c1cccc(C)c1 169941769 YPUWSAKFVAJXAE-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE COc1ccc(-c2csc(N/N=C\c3cc(Cl)c(OC(C)C)c(Cl)c3)n2)cc1 169941873 ATNBNOZMFZWDLM-RMORIDSASA-N 436.364 6.359 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccc(O)cc2)cc1C 169964050 KTCXDKUOARCNEQ-QFIPXVFZSA-N 435.426 5.070 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2cccc(C)c2)cc1C 169970615 ICDLLOZNHSNRAW-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(O)c(Cl)c2)c1 170043906 XUCIRPGXOQZNID-NRFANRHFSA-N 425.912 5.183 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccccc2C)cc1 170088850 HPXTWQBOZHKYRF-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2sccc2C)cc1 170107634 YVCJSDKLPJIXGZ-HXUWFJFHSA-N 427.566 5.012 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2cccs2)cc1C 170154009 VXYOJIVJERHRBT-JOCHJYFZSA-N 449.528 5.247 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2cccs2)c1 170158713 ZACUEJLQSKOAMG-QFIPXVFZSA-N 449.528 5.165 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccs2)c1 170163917 WFQFQICTUVMYSA-IBGZPJMESA-N 431.941 5.321 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@H]1c1ccccn1 170180986 IZFFVQVOWBXJEO-JOCHJYFZSA-N 436.552 5.156 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1cccnc1)c1cc2ccccc2o1 170188493 BDOYSNLPRJXBRM-NRFANRHFSA-N 430.847 5.264 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCN(C)C)cc1 170245053 UBFWKFWGMVKKFH-RUZDIDTESA-N 442.559 5.103 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2cccc(O)c2)cc1 170259493 PZSSKWBLKWTUNV-VWLOTQADSA-N 439.511 5.362 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccco2)cc1C(C)C 170281644 LCNNFYBJEDHAIF-QFIPXVFZSA-N 435.451 5.334 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccc(C)o1 170303314 UZEBRWWEADVILL-HXUWFJFHSA-N 441.842 5.172 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccc(C)o2)c(C)c1 170304692 SYDRLNYNRJTCLS-QHCPKHFHSA-N 426.472 5.469 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(OC)c(O)c1 170322542 KDVXUFOSEWDEKV-DEOSSOPVSA-N 445.515 5.323 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(Cl)cc1 170421412 WFQFPAFJDIQRHG-FQEVSTJZSA-N 439.920 5.189 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(C(C)(C)C)cc1 170467032 GVQPCKZZVCGSCB-QHCPKHFHSA-N 445.515 5.364 30 10 IKEE CCCc1ccc(OCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1 170522177 BMFAHCGGXBFEJR-UHFFFAOYSA-N 436.511 6.455 30 10 IKEE Clc1ccc(/C=C\C=Nc2ccc3oc(-c4ccccc4Cl)nc3c2)c(Cl)c1 252629729 UMMQOWRJBFAPFS-DIBCKIMCSA-N 427.718 7.871 30 10 IKEE COc1ccc(OC)c(/C=C2\SC(=Nc3cccc(C)c3)N(c3cccc(C)c3)C2=O)c1 252640615 YVSUAAIWHCGNFG-GCNWNYGFSA-N 444.556 6.129 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2O[C@H](C)CC)cc1 253565486 HUKXAHMBWTVVAI-LZNRXBQRSA-N 433.548 5.267 30 10 IKEE Cc1cccc(C=Nn2c(N)c(C(=O)Nc3cc(C)ccc3C)c3nc4ccccc4nc32)c1 254846277 QFYJFHQZABJNML-UHFFFAOYSA-N 448.530 5.226 30 10 IKEE Clc1ccc(C=NOCc2nnc(-c3ccccc3Br)o2)cc1Cl 254896310 SOZCJOGLKRJTAK-UHFFFAOYSA-N 427.085 5.357 30 10 IKEE CC(C=NOCc1c(Cl)cccc1Cl)=NNc1c(Cl)cc(Cl)cc1Cl 263629784 HPTPAKZHPHPDKI-UHFFFAOYSA-N 439.557 6.944 30 10 IKEE CC(C)c1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(Sc3ccccc3)C2=O)cc1 526659010 HESVVXKDXZBPOQ-UHFFFAOYSA-N 439.540 5.671 30 10 IKEE Oc1ccc2ccccc2c1/C=N\n1cnnc1SCc1c(Cl)cccc1Cl 526815218 ZIITWLHSVUUYLG-VROXFSQNSA-N 429.332 5.618 30 10 IKEE C=CCN(CC=C)C(=O)Nc1cccc(C(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)c1 586685391 SIJCEUVNHNQPRN-UHFFFAOYSA-N 446.576 5.885 30 10 IKEE C=C(C)CN=c1scc(-c2ccc(Cl)cc2)n1N=C1CCC(C(C)(C)CC)CC1 606347898 CVABUXBYUISWJI-UHFFFAOYSA-N 430.061 7.177 30 10 IKEE COc1nsc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(C)cc2)c1Br 690147302 BNAQGQNFTAMBHO-CYBMUJFWSA-N 438.347 5.229 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@](C)(C#N)c1ccc(Br)cc1F 698346599 AYXWBXMWJTZVJV-FQEVSTJZSA-N 425.342 5.897 30 10 IKEE CCCCCCC[C@H](C(N)=O)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 698488114 JICVQPJOKSXINO-QGZVFWFLSA-N 427.383 5.405 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)Cc2ccc(Cl)cc2C1 710830547 LXLLIJBWDJOOOB-NRFANRHFSA-N 447.760 5.905 30 10 IKEE Cc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)c(C)c1Br 719631281 DCKOKVXRLAPKLZ-SFHVURJKSA-N 449.776 6.726 30 10 IKEE C=CCC1([C@H](NCC)c2c(C)ccc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 722933454 JQALCXHKISYECP-GOSISDBHSA-N 441.385 5.360 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C1 724081453 PNZMPJBVYWHSPO-MHECFPHRSA-N 435.609 5.533 30 10 IKEE COc1ccc(NC(=S)N/N=C\c2cn(-c3cccc(F)c3)nc2-c2ccccc2)cc1 1857809475 WCWOXNNJCKSUAX-YSMPRRRNSA-N 445.523 5.008 30 10 IKEE Cc1sc(NC(=O)c2cc(C(C)(C)C)nc3c(Br)cccc23)c(C#N)c1C 1859647214 ABRSKYDIENFLDB-UHFFFAOYSA-N 442.382 6.097 30 10 IKEE O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 1860727658 ZJMJWZJRKJDAGS-NTUHNPAUSA-N 436.851 5.048 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)c1ccc2nc(C(C)C)[nH]c2c1 1861440654 UHWCEGLNXUOGGM-NRFANRHFSA-N 428.621 5.452 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@H]2c2ccc(OCC)cc2)cc1 1862392596 BIICSIONFSGRNO-DEOSSOPVSA-N 435.564 5.806 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(F)cc2F)=C(O)C(=O)N1CCc1ccccc1 1862411504 JKCWWAPRPABKDP-HSZRJFAPSA-N 433.454 5.094 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862431656 LVMZYMKDXFMNQG-HSZRJFAPSA-N 449.909 5.820 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(OCCC)cc1 1862437187 LFYBPKOKDYPEIZ-QFIPXVFZSA-N 441.955 5.897 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C(C)C)cc1 1862438922 GTEBKIFHUHUWMP-NRFANRHFSA-N 426.944 5.173 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2[C@@H](C)CC)cc1OC 1862439243 JZEITIQRTUTDSB-QKKBWIMNSA-N 443.927 5.124 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2C2CCCCC2)c1 1862458460 NSWDSAAVXLBNGE-NRFANRHFSA-N 445.437 5.024 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2cccc(Cl)c2)cc1 1862476243 GKLHNDAIRXNZSN-OAQYLSRUSA-N 437.948 5.531 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccc(C(C)C)cc2)cc1 1862476778 DZRPENKXBSFWPC-SANMLTNESA-N 445.603 6.810 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(F)cc1 1862502309 WMFMAOIAYTYYLC-QFIPXVFZSA-N 443.490 5.058 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc(F)cc1)c1ccc2c(c1)CCCC2 1862544953 OUKBZGWGHPHRAF-VWLOTQADSA-N 441.502 5.483 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccccc1F 1862545032 REVTUEBCKAUYET-DEOSSOPVSA-N 435.539 5.863 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(Cl)c2)cc1 1862617246 HIXKGYIPYAMLAK-JOCHJYFZSA-N 437.967 6.158 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CC)cc1 1862647099 VHYMNSNUTKOTSP-QFIPXVFZSA-N 441.499 5.002 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862684239 RVNLKLQMNHOQDD-UZUQRXQVSA-N 439.527 5.772 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2c(Cl)cccc2Cl)cc1 1862690642 SFWWNGCJHIIHHL-FQEVSTJZSA-N 446.330 5.523 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)c1 1862694322 GTHNPAWHPCBNMI-OZWPHOJSSA-N 449.547 5.251 30 10 IKEE CC(C)COc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3cccs3)C2=O)cc1 1863106904 MFOZPCDQZSLCNW-UHFFFAOYSA-N 443.528 5.051 30 10 IKEE Cc1ccc2nc(C(C)C)cc(C(=O)Nc3c(C#N)c(-c4ccccc4F)nn3C)c2c1 1866273241 ZFCTXNVHMFEOER-UHFFFAOYSA-N 427.483 5.330 30 10 IKEE CCCCC1CCC(C(=O)Nc2c(C#N)nnn2-c2ccc(-c3ccccc3C)cc2)CC1 1870153944 IXNAEGPVHFNKHT-UHFFFAOYSA-N 441.579 6.050 30 10 IKEE C=CCn1cc(OCc2ccccc2C)c(=O)cc1CNc1ccc(Br)cc1 1871079560 OQHDUPWULVVLGK-UHFFFAOYSA-N 439.353 5.296 30 10 IKEE C=CCn1cc(OCc2ccc(C)cc2)c(=O)cc1CNc1ccc(OC(F)(F)F)cc1 1871205478 LSFGUQUUPPCXPQ-UHFFFAOYSA-N 444.453 5.432 30 10 IKEE CCCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1cccc(C)c1 1871252658 MLIYTGPWMHTFNL-UHFFFAOYSA-N 429.564 5.800 30 10 IKEE CCCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(Cl)cc1 1871252985 XNKRWCZYPHQLQF-UHFFFAOYSA-N 449.982 6.145 30 10 IKEE O=C1/C(=C/c2ccccc2OC(F)F)Oc2c1ccc1c2CN(C2CCCCC2)CO1 1871346064 BOOCJJYTEMDEJH-MTJSOVHGSA-N 427.447 5.389 30 10 IKEE Cc1cc(OC(=O)c2cccc([N+](=O)[O-])c2C)cc2c1C(=O)/C(=C/c1ccc(Cl)cc1)O2 1871372357 MWJCGJPGGRYPGF-NHDPSOOVSA-N 449.846 5.700 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4C)cc(C)c3C2=O)cc1 1871374015 ZYYSKDXSCQBQST-QRVIBDJDSA-N 443.455 5.609 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4cccc([N+](=O)[O-])c4)c3C)C2=O)cc1 1871374054 NWDUYRFATNABQT-XKZIYDEJSA-N 429.428 5.301 30 10 IKEE CCCOc1ccccc1/C=C/C(=O)Oc1ccc2c(c1C)O/C(=C\c1cccnc1)C2=O 1871376105 UCETXFZDMOQNFQ-FNROFCJXSA-N 441.483 5.414 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccc(F)cc4)ccc3C2=O)cc1 1871401027 RRBNSOCJZZJSBA-SGMWPGOQSA-N 447.462 5.247 30 10 IKEE Cc1c(O[C@@H](C)C(=O)Nc2ccc(C#N)cc2)ccc2c1O/C(=C\c1cccc(F)c1)C2=O 1871435790 CAUHHPJTPFTUKX-YOBACFSGSA-N 442.446 5.028 30 10 IKEE COc1ccccc1/C=C1\Oc2c(ccc(OCC(=O)Nc3ccc(Cl)cc3)c2C)C1=O 1871440842 KJXLWZKYHPWDFE-XKZIYDEJSA-N 449.890 5.291 30 10 IKEE CCCCCCCCN=c1nc(N2CCCCCC2)[nH]c(=Nc2cc(Cl)ccc2C)[nH]1 1871514211 RAHKVLRMUUDFFB-UHFFFAOYSA-N 445.055 5.574 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(Cl)cc2)[nH]c(N2C[C@H](C)C[C@@H](C)C2)n1 1871523866 HPQGSCQQAFFGHS-RTBURBONSA-N 445.055 5.945 30 10 IKEE C=CCN([C@H](C(=O)Nc1cccc(Cl)c1C)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872423103 NJQQXBJFRJAFQT-QFIPXVFZSA-N 449.016 5.105 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(Br)c3)n2)cc1C 1872764999 DLVXZZCCZYDNMB-INIZCTEOSA-N 427.323 5.380 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3cccc4ccccc34)n2)c(C)c1C 1872778989 YVYDZXRRYUWQOA-JOCHJYFZSA-N 426.541 6.008 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccco2)=C(c2ccc(-n3cccc3)cc2)C1=O 1873033995 NAUBLUJOYDCBEC-UHFFFAOYSA-N 445.563 5.301 30 10 IKEE CCCCCCCCNC1=C(c2cccc(Br)c2)C(=O)N([C@@H](C)CC)C1=O 1873055323 BRGWPZBSXQUVSK-INIZCTEOSA-N 435.406 5.278 30 10 IKEE C=CCN1C(=O)C(Nc2cc(C)ccc2OCCC)=C(c2cccc(Cl)c2Cl)C1=O 1873341889 OQQKDCDULNHABC-UHFFFAOYSA-N 445.346 5.469 30 10 IKEE CCCCN(CCCC)c1nc(Nc2ccccc2C#N)c2cnn(-c3ccccc3)c2n1 1873482788 QEGYZLNPUIVBSL-UHFFFAOYSA-N 439.567 5.837 30 10 IKEE Cc1c(CCC(=O)Nc2ccc(C#N)cc2)c(=O)oc2cc3oc4c(c3cc12)CCCC4 1873864520 MXSWIFVZDSHYEW-UHFFFAOYSA-N 426.472 5.169 30 10 IKEE CCCCCCCCNC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccccc2)N1C(C)=O 1873891664 JHWFEAUMMYOCRX-XNMGPUDCSA-N 445.607 5.507 30 10 IKEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3ccc(F)cc3Cl)c(=O)oc2c1 1873909340 IZYMCROOKMDXAO-UHFFFAOYSA-N 429.875 5.420 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(CCCOc3cccc(C)c3)nnc2SC)cc1 1874245507 IKMZZQPKXRWSAY-XIEYBQDHSA-N 437.613 5.048 30 10 IKEE C=C(C)CSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1ccc(N(C)C)cc1 1874246029 IXYVTRVEVOLMRT-YZSQISJMSA-N 449.624 5.215 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccccc3)n2/N=C/c2ccc(C)cc2)CC1 1874288006 JCNCDGXVDVLKOR-TURZUDJPSA-N 446.664 7.225 30 10 IKEE CCCSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1ccc(Cl)cc1Cl 1874331531 QYGLLDKYAIAQRS-AFUMVMLFSA-N 447.435 6.371 30 10 IKEE Fc1ccc(CSc2nnc(Cc3ccc(Cl)cc3)n2/N=C/c2ccccn2)cc1 1874336115 BYTYENWIRLSFDF-VULFUBBASA-N 437.931 5.231 30 10 IKEE O=[N+]([O-])c1ccccc1/C=N/n1c(SCc2ccc(F)cc2)nnc1-c1cccs1 1874420804 FUGDGUGUGIXYJJ-WSDLNYQXSA-N 439.497 5.228 30 10 IKEE Oc1ccc(Cl)cc1/C=N/n1c(SCCc2ccccc2)nnc1-c1cccs1 1874422871 IZLKLACNHKSSCC-OEAKJJBVSA-N 440.981 5.583 30 10 IKEE C=CCSc1nnc(-c2ccccc2)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874429144 TVLXQEKRXJSKNN-NLRVBDNBSA-N 440.528 5.325 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2-c2ccco2)cc1O 1874467206 WYZIXULHIDFGCR-FSJBWODESA-N 440.912 5.080 30 10 IKEE COCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1c[nH]c2ccccc12 1874473809 YMBMDSUQWWCWTP-JVWAILMASA-N 441.560 5.276 30 10 IKEE COCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(F)cc1 1874473994 HJVHBKKKNWPCCO-FOKLQQMPSA-N 439.343 5.087 30 10 IKEE COc1ccc(OC)c(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CCC2)c1 1874497041 QXKYQMDGYVFKBP-ZMOGYAJESA-N 442.972 5.391 30 10 IKEE Cc1ccccc1NC(=O)CSc1nnc(C(C)C)n1/N=C/c1c(F)cccc1Cl 1874512457 YQBKICHXVGISJW-BHGWPJFGSA-N 445.951 5.115 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C(C)C)cc1OC 1874515581 GHUWAGUNGXRMRH-ZMOGYAJESA-N 444.988 5.637 30 10 IKEE CCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874527881 IVDDWXIQUBKBNY-ZMOGYAJESA-N 444.988 5.464 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/n2c(S)nnc2C2CCCC2)c(Cl)c1 1874560470 ZBDXDLZNHSLNMC-KOEQRZSOSA-N 449.064 6.889 30 10 IKEE Sc1nnc(CCc2cccc3ccccc23)n1/N=C/c1c(Cl)cccc1Cl 1874567621 HSMSITKIDINJHD-ZMOGYAJESA-N 427.360 5.694 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccccc2OCc2nc(O)c3ccccc3n2)cc1 1874573510 ROAYYUUVYVTMRL-ISLYRVAYSA-N 438.527 6.153 30 10 IKEE O=C(/C=C/c1cc(Br)ccc1OCc1ccc(F)cc1)c1ccccc1Cl 1874574885 KJZAQZLIPADVAN-YRNVUSSQSA-N 445.715 6.717 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(F)cc2)c1 1874580586 VLGAJHIUXXUHAW-VZUCSPMQSA-N 437.898 6.010 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1OCc1ccc(Cl)cc1 1874591611 TXMIHRCAVGDRFC-KPKJPENVSA-N 447.745 7.131 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2cccc(C)c2)c2ccccc12 1874592447 ZRWQLPCARVGZIF-JLHYYAGUSA-N 442.942 7.285 30 10 IKEE COC(=O)c1ccc(COc2cccc(/C=C/C(=O)c3cc(C(C)(C)C)ccc3OC)c2)o1 1874597977 NEXHAUATEYHEPC-FMIVXFBMSA-N 448.515 5.847 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OCC(=O)Nc1cc(C)ccc1C 1874608399 MFCKVAKSCOTFNI-ZRDIBKRKSA-N 449.934 5.879 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1Cl)NCc1ccco1 1874608935 OTGUZBKTWTWYQR-VQHVLOKHSA-N 430.287 5.178 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1cccc(Br)c1 1874610040 XRFVLCQXGOEURA-FMIVXFBMSA-N 427.725 6.578 30 10 IKEE CCOc1c(Br)cc(/C=C/C(=O)c2ccccc2OC)cc1Br 1874610405 RBWUEKHEOUABGH-CMDGGOBGSA-N 440.131 5.515 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc(F)c2)c(Br)c1)c1cccc(Cl)c1 1874612241 KBHSFCZUHSCPHA-VQHVLOKHSA-N 445.715 6.717 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OCCc3ccccc3)c([N+](=O)[O-])c2)c1C 1874628967 FYXAGVKCWYKBRU-ZRDIBKRKSA-N 429.516 6.346 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC(=O)c1ccccn1 1874710799 JRWCVMVOQSBRLG-PKNBQFBNSA-N 445.515 5.646 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(Cl)c(Cl)c3)c2)cc1C 1874713887 SOIJDDQSRZAHED-YRNVUSSQSA-N 425.311 6.726 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1OC(=O)c1ccccc1F 1874717576 CJPNXNXNZRZPNR-UXBLZVDNSA-N 445.273 6.256 30 10 IKEE CCCCCCCCC(=O)NCCc1nn2c(CCc3ccc(Cl)cc3)nnc2s1 1874784453 FXDBQFBCMRSPTR-UHFFFAOYSA-N 448.036 5.034 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc(Cl)c3)cc2OC)c1 1875123283 ZFEDKMBIVSUFKZ-ZRDIBKRKSA-N 436.891 5.863 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc(Cl)c2)c([N+](=O)[O-])c1)c1cccc(Cl)c1 1875124630 UOHUMJXBCNFGOG-VQHVLOKHSA-N 442.254 6.017 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)Cc1ccc(C)c(C)c1 1875128675 OQIBLAJPSFCFRP-CCEZHUSRSA-N 440.539 6.085 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cc(C)ccc3C)c(Cl)c2)c(C)c1 1875131645 IAGLGLAZBUBIFM-DHZHZOJOSA-N 432.947 6.618 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)Oc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1 1875132461 SPXVJCMHWGGTKO-VGOFMYFVSA-N 441.310 6.426 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1ccc(F)cc1 1875151394 JKIIIGRVKYCJFP-XCVCLJGOSA-N 434.419 5.068 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)cc2OC)cc1 1875170188 LENBKJUEUCBCFZ-NTUHNPAUSA-N 444.527 6.053 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)CC)c(OCC)c2)c(OCC)c1 1875177637 QIZDQTUUMOPPMG-FMIVXFBMSA-N 446.927 5.748 30 10 IKEE Cc1cc(CN(Cc2ccccc2)Cc2ccccc2)cc(B2OC(C)(C)C(C)(C)O2)c1 1892506109 JEJGKTUXUYOXSS-UHFFFAOYSA-N 427.397 5.497 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC[C@@H](CCC)CCNC(=O)OC(C)(C)C)NCCC 1922078314 VSYJPQDEXYIYOE-NOZRDPDXSA-N 446.676 6.239 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@](C)(O)c1ccc(OCc2ccccc2)cc1 1922100239 RIOMUEIXFNEPOI-NSOVKSMOSA-N 431.576 5.224 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 1922112887 OXXQKMMWPIKFPI-GVXSCFBNSA-N 438.612 5.640 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 1943909052 BLJJQZSWXWYZHM-FDDCHVKYSA-N 433.524 5.297 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCCN(C(=O)OC(C)(C)C)C1 2005383636 XQOJBBKBHVCBOV-DEOSSOPVSA-N 429.561 5.420 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2cccs2)cc1Cl 2033815744 QSYORPJVUGIZRF-GOSISDBHSA-N 445.949 5.250 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)CC1CCN(C(=O)OC(C)(C)C)CC1 2045574378 GIWFRIQRSZEXLU-HXUWFJFHSA-N 443.588 5.666 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1ccc(Cl)c(Br)c1F 2045770830 AAMNVNGOWFMMOS-FQEVSTJZSA-N 426.757 6.055 30 10 IKEE CC(C)(C)OC(=O)c1c(C2CC2)nn(-c2nc(C(F)(F)F)ccc2F)c1C(F)(F)F 2078878494 BDNGEXZZGOEDOD-UHFFFAOYSA-N 439.331 5.277 30 10 IKEE CC(C)[C@H](c1ccc(C2CC2)cc1)n1nc(C2CC2)c(C#N)c1I 2079026948 LSQPIURTUPQVJX-LJQANCHMSA-N 431.321 5.360 30 10 IKEE CC[C@H](c1ccc(C(C)C)cc1)n1nc(C(F)(F)F)c(C#N)c1I 2079978444 AMLGGQREYWAGKP-CQSZACIVSA-N 447.242 5.501 30 10 IKEE COc1ccc([C@@H](n2nc(C3CCC3)c(C=NO)c2Br)C(C)(C)C)c(O)c1 2080042503 HWOYOUFPVMDBOW-GOSISDBHSA-N 436.350 5.071 30 10 IKEE CCCCCC#CCC(=O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2083495626 HUCFBVJMLFHACN-UHFFFAOYSA-N 426.556 7.001 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)C1CC(C(F)(F)F)C1 2105183377 DTUMXBNQQGCZQB-QOZQQMKHSA-N 433.268 5.671 30 10 IKEE CC(C)(C)OC(=O)NC1(CNc2ccc(C#N)c(Br)c2F)CCCCC1 2106100712 UBKRZMLTAHLNQT-UHFFFAOYSA-N 426.330 5.099 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCC)c2cc(Br)ccc2F)C1 2126628345 VOXONXSKTCZYSQ-QGZVFWFLSA-N 427.358 5.100 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C=CC(=O)c2cc(Cl)cc(Br)c2)cc1 2136654410 XTJQELQELBHVDD-UHFFFAOYSA-N 436.733 6.346 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@@H]2Nc2cc(Br)cc(C#N)c2)C1 2162311475 WRBLMKFWJPXAGH-GHTZIAJQSA-N 434.378 5.302 30 10 IKEE CC(C)(C)OC(=O)N1CCN(c2cc(Br)ccc2C#N)C2(CCCCC2)C1 2174808911 TVSDXSIBPWXLHY-UHFFFAOYSA-N 434.378 5.081 30 10 IKEE CCCCN(C[C@H]1CCCN1C(=O)OC(C)(C)C)c1cc(Br)ccc1C#N 2174815830 XQVDBJBQDRYSTK-GOSISDBHSA-N 436.394 5.327 30 10 IKEE Cc1cc(C#N)cc(NC(=O)c2ccc(Br)c(NC(=O)OC(C)(C)C)c2)c1 2181055028 DMGBUCZTTDMIIT-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE C=CC[C@@H](C)[C@H](NCCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237415569 YXVCNNLPLGBCMT-AHRSYUTCSA-N 439.438 5.465 30 10 IKEE CCCCCC#CC[C@@H](N)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237417000 IKAFURBEIQCSDP-WOJBJXKFSA-N 437.422 5.186 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@H](C#N)c1sc(Cl)cc1Br 2250682757 WCCYFCIHCZFDLE-SNVBAGLBSA-N 434.747 5.666 30 10 IKEE C=CCCC1([C@@H](NC)c2ccc(Br)c(Cl)c2)CN(C(=O)OC(C)(C)C)C1 2266317212 FVKXWKFBFHPABZ-KRWDZBQOSA-N 443.813 5.566 30 10 IKEE Cc1ccc(Cl)c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)c1 2268101651 ORQPFMWERDGUIA-GOSISDBHSA-N 435.749 6.417 30 10 IKEE O=C(N[C@H](C(=O)C#Cc1cccc(Br)c1)c1ccccc1)OCc1ccccc1 2278743340 FPNQKLSNDADBKJ-QHCPKHFHSA-N 448.316 5.037 30 10 IKEE CC1(C)OB(c2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)sc2Cl)OC1(C)C 2281978105 YEBDWDDJUMXMCH-UHFFFAOYSA-N 432.565 5.260 30 10 IKEE N#Cc1ccc(-c2ccc(C=C3NC(=O)N(Cc4ccc(Cl)c(Cl)c4)C3=O)o2)cc1 2294143519 IOTOIZHVAMYJOC-UHFFFAOYSA-N 438.270 5.218 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C 2296310075 DVYFCLZXEQMKOA-OALUTQOASA-N 437.422 5.108 30 10 IKEE CCN[C@H](C#C[C@@H](OC)C1CCCC1)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 2303639874 HHELKJOCMKFRHW-DNQXCXABSA-N 428.617 5.001 30 10 IKEE CCCCCCOc1ccc(NC(=O)C(=O)C=Cc2ccc(OCC)c(OCC)c2)cc1 2318788911 VBCIQWBRUUQAKO-UHFFFAOYSA-N 439.552 5.664 30 10 IKEE C=C(C)CSc1nnc(C2CC2)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2320850050 ZVOIQLTUVXVTBY-UHFFFAOYSA-N 438.984 5.938 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc(COc2ccc(C=C[N+](=O)[O-])cc2)cc1 2321004456 MMAXKXOXOWURKM-UHFFFAOYSA-N 438.568 6.384 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc4c3CN(Cc3ccccc3OC)CO4)C2=O)cc1 2321993759 VSLBKEHVPCHOHR-UHFFFAOYSA-N 443.499 5.062 30 10 IKEE CCCCC[C@H](CC)N1COc2ccc3c(c2C1)OC(=Cc1ccccc1OCC)C3=O 2322071855 XYJSZUCIXNVUOP-FQEVSTJZSA-N 435.564 6.212 30 10 IKEE N#Cc1c(NC(=O)C=Cc2ccc3c(c2)OCCO3)oc(-c2ccccc2)c1-c1ccccc1 2322146036 QOQBIGUAQBTSSK-UHFFFAOYSA-N 448.478 5.908 30 10 IKEE CCc1ccccc1NC(=O)COc1ccccc1C=CC(=O)c1ccc2c(c1)CCCC2 2322328610 HUNIQYDMSAVXPO-UHFFFAOYSA-N 439.555 6.041 30 10 IKEE COC(=O)c1ccc(COc2ccc(Cl)cc2C=CC(=O)c2ccc(Cl)cc2)o1 2322534938 AQZRPTWLMPQQNP-UHFFFAOYSA-N 431.271 5.848 30 10 IKEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1ccc(Cl)cc1)Nc1ccccc1F 2322534991 PUVDTCOSNYWTLL-UHFFFAOYSA-N 444.289 6.046 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(Cl)ccc1OCC(=O)NC1CCCCC1 2322646499 CQRGXDDGWAXYOV-UHFFFAOYSA-N 441.955 5.381 30 10 IKEE CCCNC(=O)COc1c(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)cc1OC 2322842661 KMFKZXIYOMRNRX-UHFFFAOYSA-N 443.971 5.383 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12 2322851603 UUEROONQOXTUEN-UHFFFAOYSA-N 440.514 7.079 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OC(=O)c4cccc(C)c4)c3C)C2=O)c(OC)c1 2322880764 FSONOYRRPTVGRI-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE Cc1c(OC(=O)c2cccc(Cl)c2)ccc2c1OC(=Cc1ccc3c(c1)OCO3)C2=O 2322907204 WTZOPFCBJMFLNG-UHFFFAOYSA-N 434.831 5.213 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(OC)c3ccccc23)c1OCc1ccc(C)cc1 2323022141 AYRVYPRDGYHPNC-UHFFFAOYSA-N 438.523 6.641 30 10 IKEE COc1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(C)c2)C3=O)cc1 2323424050 MUVSTBVCKXHSMZ-UHFFFAOYSA-N 426.468 5.547 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OCc3ccccc3C)c(OC)c2)cc1OC 2323441301 YTPKKIWQWDOQBI-UHFFFAOYSA-N 448.515 5.505 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1cccc(C)c1C 2323802652 WDULJTNRDSBPBG-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCCOc1c(C=NNc2nc(-c3ccc(OC)c(OC)c3)cs2)cccc1OC 2323865843 JQTWKCSMLKOUPU-UHFFFAOYSA-N 427.526 5.071 30 10 IKEE CC(C)C(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1 2323933555 FVZQWHNCLQKYIE-UHFFFAOYSA-N 446.430 5.223 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2[N+](=O)[O-])c1 2323949546 PWQUDFZYPRJMQU-UHFFFAOYSA-N 444.487 5.434 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Cl)c1OCC(=O)N(CC)CC 2323978951 OZYHSYKVNULJNP-UHFFFAOYSA-N 447.934 5.330 30 10 IKEE O=C(C=Cc1ccc(OCc2nc(O)c3ccccc3n2)c(Cl)c1)c1ccc(F)cc1 2324183282 GRXRREYVDOLMRG-UHFFFAOYSA-N 434.854 5.603 30 10 IKEE O=C(C=Cc1ccc(OCc2c(Cl)cccc2Cl)c(Cl)c1)c1ccc(F)cc1 2324183311 MRRGMUAOUBITIJ-UHFFFAOYSA-N 435.709 7.261 30 10 IKEE COc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1OC 2324352112 JWTUNSUDTWBHKS-OAQYLSRUSA-N 440.524 5.870 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc(Cl)c1OCCCO 2324588681 FEULMBWSRZQATN-UHFFFAOYSA-N 445.726 5.321 30 10 IKEE Cc1ccccc1OCCCCOc1cc(C)c2c(c1)OC(=Cc1cccc(Cl)c1)C2=O 2324598823 KXMQKARGQZHONG-UHFFFAOYSA-N 448.946 6.811 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)c(OC)cc2C)ccc1OCc1ccc(C)cc1 2324645771 SNKCEJBZZDKWMP-UHFFFAOYSA-N 430.544 6.494 30 10 IKEE C=CCOc1c(Br)cc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1OC 2324665639 VXGNPISOXFBGPH-UHFFFAOYSA-N 442.136 6.225 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1ccc2c(c1)OC(=Cc1cccc(C)c1)C2=O 2325005318 STQWHHOAZNJAJU-UHFFFAOYSA-N 427.500 5.500 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O 2325092540 JZKRFDHBPILJMM-NRFANRHFSA-N 426.484 5.723 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1cc(C)c2c(c1)OC(=Cc1ccccc1F)C2=O 2325092798 OQFNWGRUNFETQS-OAQYLSRUSA-N 440.511 6.031 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1N=Cc1c(OC)ccc2ccccc12 2325514082 AEWQUDUCEBLKSE-UHFFFAOYSA-N 430.577 5.957 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccc(Cl)c(Cl)c1 2325522073 OVVDQUAPIIMCAI-UHFFFAOYSA-N 447.435 6.719 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1c(F)cccc1Cl 2325522844 FMBICKQRODAMKX-UHFFFAOYSA-N 430.980 6.205 30 10 IKEE O=C(C=Cc1cccc(OC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)c1)c1cccc([N+](=O)[O-])c1 2325690406 BDNZRYHIWMHPGW-FGZHOGPDSA-N 447.874 5.853 30 10 IKEE C[C@@H](C(=O)Oc1cccc(C=CC(=O)c2ccc(Cl)cc2Cl)c1)c1ccccc1 2325709926 XDLKIBNMVSUFKS-MRXNPFEDSA-N 425.311 6.599 30 10 IKEE CCCCCCC(=O)Oc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)ccc1OC 2325776034 VCEGPTHHMDCUOV-UHFFFAOYSA-N 446.543 6.629 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1cccc(C)c1 2326072260 VLCGDBAZDZEPCA-UHFFFAOYSA-N 441.000 5.802 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1N=Cc1cn(CC)c2ccccc12 2326389295 QVBUZIIPQOWQMQ-UHFFFAOYSA-N 431.609 6.078 30 10 IKEE Cc1cc(C)cc(CSc2nnc(C)n2N=Cc2ccccc2OCc2ccccc2)c1 2326398940 OYFAPTWFJMBEGX-UHFFFAOYSA-N 442.588 5.957 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1c(C)n(C)c2ccccc12 2326475087 ZVJGWDZMSCTRKI-UHFFFAOYSA-N 438.000 5.859 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1c[nH]c2ccccc12 2326705799 NVYMXIDKRDRBDI-UHFFFAOYSA-N 430.364 5.803 30 10 IKEE CCSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1c(Cl)cccc1Cl 2328942141 WTJMJZGUHYJSNH-UHFFFAOYSA-N 433.408 5.981 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccc(O)cc2)cc1C 2329396983 DUOFKCRKALTBRE-UHFFFAOYSA-N 446.551 5.505 30 10 IKEE CCc1ccc(C=Nn2c(SCCc3ccccc3)nnc2-c2ccccc2Cl)cc1 2329587393 VNEALPOBGMKVLK-UHFFFAOYSA-N 447.007 6.378 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCCCO)n1N=Cc1ccc(Cl)cc1Cl 2330133610 YSTFGWIUAQUEDF-CQSZACIVSA-N 435.380 5.093 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)C1CCCC1 2330610871 FPVZRAJERPZWQX-UHFFFAOYSA-N 440.539 6.744 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2cccc(C)c2)nnc1C1CCCC1 2331045437 QMSLPYAMRUKHLZ-UHFFFAOYSA-N 434.609 6.207 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)Cc1ccc(Cl)cc1 2331326164 HTHDHDNAFVPWAV-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE CCCCc1nnc(SCCc2ccccc2)n1N=Cc1c(Cl)cccc1Cl 2331339096 GQDYLGJAJGIXPX-UHFFFAOYSA-N 433.408 6.145 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1cccc(F)c1 2331411017 FBBXHKJPROXGOJ-UHFFFAOYSA-N 437.371 6.196 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccccc1F 2331424575 AFDCYZRUCMJYAY-UHFFFAOYSA-N 446.518 6.637 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OC(=O)C1CCCC1 2331432114 QRPHCWZXAPMMFM-UHFFFAOYSA-N 428.868 5.069 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3ccccn3)c(OC)c2)cc1F 2331450611 FIYSIFJTNZOHOP-UHFFFAOYSA-N 441.842 5.007 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCC(=O)Nc3ccccc3)nnc2C2CCC2)cc1 2331484431 NIUYMRJLLZPZGO-UHFFFAOYSA-N 433.581 5.282 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)C=Cc2cccc(Cl)c2)n(-c2ccc(C)cc2)n1 2331660220 WMFHTUFWWJQIER-UHFFFAOYSA-N 433.943 5.059 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)cc3F)c(Cl)c2)cc1C 2331705873 XLTWHZSEDBXYQT-UHFFFAOYSA-N 440.873 6.279 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2331715483 VKOVAFHSODLHNV-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE Fc1ccc(CSc2nnc(C3CC3)n2N=Cc2cccc(Br)c2)cc1 2331727361 HNUXRPJKLIANSN-UHFFFAOYSA-N 431.334 5.232 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(F)c(F)c2)cc1 2331741397 MWPQWTKFSPTZRU-UHFFFAOYSA-N 442.845 6.051 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1OCC 2331798517 RLWSWFFGNDITFU-UHFFFAOYSA-N 442.983 6.946 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1Cl 2331860178 TUKDMVDFNIXYQI-UHFFFAOYSA-N 439.766 7.419 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1cnc(C(F)(F)F)o1 2367983765 WQIVADSYFQOKIH-GFCCVEGCSA-N 446.223 5.462 30 10 IKEE COc1cc(COc2ccc(Br)c(NC(=O)OC(C)(C)C)c2)ccc1C#N 2370450733 MNPGMKKYSNSAEV-UHFFFAOYSA-N 433.302 5.255 30 10 IKEE C=CCN(CC=C)C(=S)NC(=O)c1cc(Br)ccc1OCCCCCC 14648560 OSZUUZOEOURONE-UHFFFAOYSA-N 439.419 5.097 30 10 IKEE CCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccccc1OC)C2 21242304 KUYIVVPDDMQZIR-KWMCUTETSA-N 440.543 6.073 30 10 IKEE COc1ccc(OC)c([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)c1 21258333 QCTYFKJCYALZPA-WHLCRQNOSA-N 440.543 5.992 30 10 IKEE O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)c1cccc(NC(=O)c2ccccc2)c1 28356979 VXONITCMXJEVPS-FYWRMAATSA-N 427.887 6.748 30 10 IKEE C=CCC[C@@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1 36306267 ZRLMXWCGYBMGSD-JOCHJYFZSA-N 449.595 5.427 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O 38320860 DAEKYBZPTHBASL-MTJSOVHGSA-N 436.847 5.193 30 10 IKEE Cc1c(C(=O)c2sc3cc(Cl)ccc3c2Cl)c(O)n(CC(C)C)c(=O)c1C#N 38617472 YAIQDZNQDJUCIO-UHFFFAOYSA-N 435.332 5.143 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)Cc3ccc(SC(C)C)cc3)cc21 38707853 LOKUAOJGYJQWJL-UHFFFAOYSA-N 438.593 5.306 30 10 IKEE Cc1c(/N=N/c2ccccc2Br)c(O)n(CCc2ccccc2)c(=O)c1C#N 39871004 LHXXCIFUJSFJNA-OCOZRVBESA-N 437.297 5.155 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)c(C)c2)[C@@H]1c1ccc(OC)cc1 40091773 XHEUBMBSPPCHST-QHCPKHFHSA-N 437.536 5.171 30 10 IKEE COc1cccc2cc(C(=O)Oc3ccc4c(c3C)O/C(=C\c3cccc(C)c3)C4=O)oc12 41353949 ZBVHFGKDQPAUPH-XKZIYDEJSA-N 440.451 5.894 30 10 IKEE CC(/C=N\N=C1\S/C(=C\c2ccccc2O)C(=O)N1Cc1ccco1)=C\c1ccccc1 47138817 FUFQHHQTFBJBSE-VNXZMMBDSA-N 443.528 5.547 30 10 IKEE CCCCCCN(CCCCCC)CN1C(=O)/C(=N\c2cccc(C)c2)c2ccccc21 59372703 CYKFAHMWRDTZMK-OHYPFYFLSA-N 433.640 6.883 30 10 IKEE COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc(Cl)c1O 59676359 UUJNQOYYOSDLCW-DHRITJCHSA-N 440.952 5.997 30 10 IKEE C=CCCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(CC)cc3)sc2c1 59721137 XWVWIFLQYMCWKW-UHFFFAOYSA-N 425.579 5.494 30 10 IKEE C=CCOc1cccc(-c2nc(C(=O)NCc3cccc(Oc4ccccc4)c3)cs2)c1 96281620 HGBPCZVQCCNTKH-UHFFFAOYSA-N 442.540 6.097 30 10 IKEE CCCCCCCCCCCCCC(=O)Nc1cccc(C(=O)N2CCCCCC2)c1 100442576 NZESBZOLFNZUNM-UHFFFAOYSA-N 428.661 7.342 30 10 IKEE CCCCCCCCn1c([C@@H]2CC(=O)N(Cc3ccc(OC)cc3)C2)nc2ccccc21 101906198 XDGQFJZSVAVAFG-JOCHJYFZSA-N 433.596 5.922 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(F)cc2)=C(O)C(=O)N1c1ccc(C)cc1C 169945264 RNQWJFNKBMEGLD-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2cccs2)cc1 169983816 HCJHCJAZZLBAEU-FQEVSTJZSA-N 425.456 5.372 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccn1 169994537 RMZSXVNKNZEXPB-HXUWFJFHSA-N 439.298 5.480 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2ccco2)c1 170038797 UEPIXQIHFKDOAM-HSZRJFAPSA-N 443.455 5.203 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1)c1c[nH]c2ccccc12 170057688 ZSWFLAFJQIKLFJ-JOCHJYFZSA-N 446.865 5.743 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccccc1F)c1cccc(Cl)c1 170070421 YEMMGVRGTXXHDP-HXUWFJFHSA-N 442.273 5.915 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1c[nH]c2ccccc12 170073873 NLHGLDNBTIAVKR-QHCPKHFHSA-N 442.446 5.099 30 10 IKEE CCCCCCCCCCN1C(=O)C(Sc2ccccc2)=C(c2ccc(C)cc2C)C1=O 170094608 OEIYNOJTYGXHRI-UHFFFAOYSA-N 449.660 7.316 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2cccs2)cc1 170159713 UWWIITBOAKAQJE-QHCPKHFHSA-N 425.509 5.993 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccn1 170174857 IIZIUAIJLDQLSR-DEOSSOPVSA-N 436.467 5.026 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccccc2)cc1C 170224705 AXQVUNYOANUXJZ-XMMPIXPASA-N 443.499 5.272 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccc(Cl)cc1 170236829 INRGSJZNLZJMPM-OYHNWAKOSA-N 439.939 5.432 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@H]1c1c[nH]c2ccccc12 170255197 NRVAQORXWUACHE-XMMPIXPASA-N 446.547 5.581 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1c[nH]c2ccccc12 170256510 UDNPOMGYBZEGCC-QHCPKHFHSA-N 430.504 5.006 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@H]1c1ccc(CC)cc1 170267619 WSJQATBVFLZGOB-JOCHJYFZSA-N 441.955 5.680 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)[C@H]2c2ccco2)cc1 170289902 IDUXRMBGNQXUKA-OAQYLSRUSA-N 444.830 5.334 30 10 IKEE CCOc1cc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2cc(C)cc(C)c2)ccc1OC 170439571 JCSRAMJBQYPCMQ-DEOSSOPVSA-N 437.536 5.226 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2cccc(Cl)c2)cc1 170453872 HBUSEBYMLUMGPB-HSZRJFAPSA-N 440.971 5.701 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(OC(C)C)cc2)c1 170472643 RNZLLOFLEJJYAD-HSZRJFAPSA-N 447.487 5.248 30 10 IKEE N#Cc1c(NC(=O)c2ccc(Br)o2)oc(-c2ccccc2)c1-c1ccccc1 170522124 RHSFGONQNYJHSH-UHFFFAOYSA-N 433.261 6.093 30 10 IKEE Cc1ccccc1/C=N/N=C1/S/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccco1 205687279 BMJBJCSURYQOJP-IOOFSVDWSA-N 446.488 5.003 30 10 IKEE CCOC(=O)Nc1ccc(Cl)cc1[C@](C#CC1CC1)(OC(=O)OCC)C(F)(F)F 212637239 HQQMKWWNIODVMV-SFHVURJKSA-N 433.810 5.253 30 10 IKEE C=CCOc1ccccc1-c1cc(NC[C@H]2CCCO2)nc(-c2ccc(O)c(OC)c2)c1 248122297 BRRQXGHWLJFRQM-HXUWFJFHSA-N 432.520 5.286 30 10 IKEE CCCCCCCCOc1ccc(C=Nn2cnc3c([nH]c4ccc(F)cc43)c2=O)cc1 254351961 SAHYVMBMRZNBDO-UHFFFAOYSA-N 434.515 5.638 30 10 IKEE N#Cc1c(-c2ccccc2)c(-c2ccccc2)n(Cc2ccco2)c1N=CN1CCCCC1 254808805 ZFCLZSIVKUHBIF-UHFFFAOYSA-N 434.543 6.481 30 10 IKEE COC(=O)c1ccc(/C=C2/SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1 254832699 IDTSPQIBXYVEAG-GQUXDKRHSA-N 442.540 5.899 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3Cl)[C@H]2c2cccc(O)c2)c1 526519500 AFLDOVDMQKDDTG-OAQYLSRUSA-N 437.282 5.628 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2ccc(Cl)c(Cl)c2)[C@H]1c1cccs1 526608729 MVBNYANQKVFYLS-LJQANCHMSA-N 427.312 5.984 30 10 IKEE Oc1cccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccccc2F)c1 526803860 RZNYLGUZDBGHFD-QQXSKIMKSA-N 432.524 5.083 30 10 IKEE CCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1c(C)[nH]c2ccccc12 526804934 ARZZCMOUWJZTDX-YSMPRRRNSA-N 431.609 6.102 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccccn2)c(C)c1 526812228 JYNPVGBEEMAWGV-PKAZHMFMSA-N 427.577 5.250 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1ccc(C(C)(C)C)s1 698489512 POAFBKWSBNUWGT-INIZCTEOSA-N 449.414 6.814 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCN(C(=O)OC(C)(C)C)CC2)cc1 704044306 RMGUMWVOWUBITC-DEOSSOPVSA-N 429.561 5.420 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 724029065 PDAGDUFSLCDYNJ-HOYKHHGWSA-N 429.561 5.466 30 10 IKEE CC1=NN(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)C1=NNc1c(C)cc(C)cc1C 1084257339 MMZHXLJIPBJNOI-UHFFFAOYSA-N 437.956 5.579 30 10 IKEE Cc1cc2c(n1-c1ccccc1)CC(C)(C)CC2=NOC(=O)c1cc2ccccc2oc1=O 1772728646 SNNATNWWRVZLSI-UHFFFAOYSA-N 440.499 5.426 30 10 IKEE CCCCOc1ccc(/C=C2\SC(=Nc3ccncc3Cl)N(CC)C2=O)cc1OC 1772732076 CISHSSPDLJNLGU-MJBUPYINSA-N 445.972 5.546 30 10 IKEE CCOc1ccc(/C=C2/SC(=Nc3nccs3)N(C3CCCCC3)C2=O)cc1OC 1772735625 RAGKHIJFUYQSCV-KDFQCDEHSA-N 443.594 5.487 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)c1ccc2nc[nH]c2c1)c1ccccc1 1861753617 DPJSTBBCFLOLOL-XMMPIXPASA-N 434.584 5.291 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccccc2)cc1C 1862401346 ZBJHXWPOZZAVCS-HOYKHHGWSA-N 427.500 5.343 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccccc2Cl)=C(O)C(=O)N1CCCOC(C)C 1862429152 HGMWUKSOBYSXAF-NRFANRHFSA-N 427.928 5.042 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccc(F)cc1F)c1cccc(Cl)c1 1862446600 WJPLLRVSFIANLE-NRFANRHFSA-N 445.893 5.919 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccccc2C)c1 1862489392 AVNVOELWZLTVTD-RUZDIDTESA-N 431.576 6.303 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccc(OCCC)c1 1862495017 JIXAXMPZOILUPD-VWLOTQADSA-N 449.591 6.251 30 10 IKEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccccc2)cc1 1862507435 LEFYUPVNVUBSJT-XDHUDOTRSA-N 445.490 5.482 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862535416 ZAMINQQTBIGLQZ-DEOSSOPVSA-N 428.532 5.641 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(N(C)C)cc1 1862546144 QTSCCCVZHNHEMF-BXKMTCNYSA-N 432.564 5.008 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1cccc(Cl)c1 1862641115 OSCLQFQAIJKCJI-HXUWFJFHSA-N 431.891 5.256 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cc(Cl)cc(Cl)c1 1862657145 ACCRJQNWQVQDAP-HXUWFJFHSA-N 426.299 5.745 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccc(O)c1 1862661688 FLAXJTPCJARMJS-DHLKQENFSA-N 449.591 6.453 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862665400 GBOLDINWAYDESY-HSZRJFAPSA-N 448.519 5.629 30 10 IKEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(C(C)(C)C)cc1 1862718585 AEIGVYACLGDTQD-BXKMTCNYSA-N 443.543 5.096 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2C(C)C)cc1 1862726876 QSAYSZQLXXRJOI-AREMUKBSSA-N 439.555 6.464 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(C(C)C)cc3)C2=O)c1 1863029672 UMKUMYBIMKSOIP-UHFFFAOYSA-N 435.527 5.695 30 10 IKEE C=CCN1C(=O)C(Nc2cc(C(F)(F)F)ccc2Cl)=C(c2ccc(Cl)cc2)C1=O 1863179911 MDMJXTQAJGCESR-UHFFFAOYSA-N 441.236 5.390 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(F)ccc2F)=C(c2ccc(F)cc2F)C1=O 1863316702 HQKKDCZYJPSAMY-UHFFFAOYSA-N 448.460 5.796 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccc(C)cc2)=C(c2ccc(OCC)cc2)C1=O 1863569370 RTRWLZIWEJWVOM-UHFFFAOYSA-N 448.607 5.624 30 10 IKEE C=CCOc1ccccc1OCC(=O)Nc1scc(-c2cccs2)c1C(=O)OCC 1865772799 HVCDVMVEXLOEEN-UHFFFAOYSA-N 443.546 5.236 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)NCc2ccccc2OC)c(=O)cc1C 1870082123 OPNDVHJHDBYKBF-UHFFFAOYSA-N 442.600 5.001 30 10 IKEE CCCCCCCOc1cn(CCN(CC)CC)c(CSCc2ccccc2)cc1=O 1870251406 ICXGSYJSJQRAHE-UHFFFAOYSA-N 444.685 5.973 30 10 IKEE CCCCCCCOc1cn(CCCC)c(CSc2nc3ccccc3s2)cc1=O 1870252527 XXZMXHFSXUYRDR-UHFFFAOYSA-N 444.666 6.900 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCCc2ccccc2)cn1Cc1ccc(F)cc1 1870687933 IHJNJYGWJROMCF-UHFFFAOYSA-N 446.566 5.221 30 10 IKEE C=CCOc1cn(Cc2ccco2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870811121 JWDIIHJOEQZQDN-UHFFFAOYSA-N 427.504 5.410 30 10 IKEE C=CCn1cc(OCc2c(C)cccc2C)c(=O)cc1CNc1ccc(CCCC)cc1 1870920324 NYRFTQONVYFWHN-UHFFFAOYSA-N 430.592 6.185 30 10 IKEE COc1ccc(CCC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2)C3=O)cc1OC 1871367293 DGSBJNPSGIUCFE-IWIPYMOSSA-N 444.483 5.167 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 1871371055 IKTWIMFPFRUACX-IWIPYMOSSA-N 446.474 5.823 30 10 IKEE Cc1c(OC(=O)COc2ccc(Cl)cc2)ccc2c1O/C(=C\c1ccc(F)cc1)C2=O 1871381152 QOOQNJGCHCRBLI-MTJSOVHGSA-N 438.838 5.388 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1cc(C)c2c(c1)O/C(=C\c1cccc(C)c1)C2=O 1871429743 WMOOLYXCZZGFAA-ZKFYFQMZSA-N 436.548 6.201 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 1871432124 VKLGYLUYKFCHRW-ICODJCHTSA-N 431.463 5.465 30 10 IKEE COc1ccc(CCOc2ccc3c(c2C)O/C(=C\c2ccc(N(C)C)cc2)C3=O)cc1 1871448479 RFNVGACNIVGCCC-UQQQWYQISA-N 429.516 5.307 30 10 IKEE C=CCN([C@@H](CC(C)C)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 1871985129 YIRMZUUJIVYEPD-QFIPXVFZSA-N 449.016 5.187 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(-c2ccccc2C)cc1)c1ccccc1)S(C)(=O)=O 1872216193 VCAUGQJTDZUZSN-VWLOTQADSA-N 448.588 5.180 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(-c2ccccc2C)cc1)[C@H](C)CC)S(=O)(=O)CCC 1872217779 VOFNRYIZJLIILT-DVECYGJZSA-N 442.625 5.243 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccccc1C)c1ccccc1)S(=O)(=O)c1ccc(C)c(C)c1 1872423226 VGZYENGJVPWXKK-RUZDIDTESA-N 448.588 5.169 30 10 IKEE Cc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3cccc(Br)c3)cs2)cc1C 1872764553 PVIGDESGJXZRSO-GOSISDBHSA-N 425.351 5.608 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-c4ccccc4)cc3)n2)cc1 1872770144 KYCVWKKSVPKUSR-XMMPIXPASA-N 438.552 6.756 30 10 IKEE Cc1cc(-c2csc([C@H](C#N)C(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)ccc1F 1872772008 HYMICEIGUJRDPM-LJQANCHMSA-N 449.551 5.161 30 10 IKEE CCCCCCCCNC(=O)c1ccc2nc(COc3ccc(C)cc3C(C)(C)C)[nH]c2c1 1872807724 BJVKUTJPPYEHAE-UHFFFAOYSA-N 449.639 6.838 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H](CC)CCCCC)=C(c2ccccc2C)C1=O 1873102732 GIYPNPBTVREDKQ-QFIPXVFZSA-N 426.645 6.384 30 10 IKEE CCCCCN1C(=O)C(Nc2ccccc2C#N)=C(c2c(Cl)cccc2Cl)C1=O 1873287106 GMZNQOOYLYJSRY-UHFFFAOYSA-N 428.319 5.247 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccccc1)n2CCCC 1873628958 CJBSFAYSUONLJE-UHFFFAOYSA-N 449.643 7.036 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/N=c2[nH]c3ccccc3[nH]c2=O)cc1Cl 1873792646 LURNKVDMKPUQBA-YZSQISJMSA-N 440.975 5.574 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1873936411 GIIKAFXWQCIMBN-QFIPXVFZSA-N 434.621 5.353 30 10 IKEE CCCOc1cccc(/C=N/n2c(COc3ccc(OCC)cc3)nnc2SCC)c1 1874235456 JROYPVZMLSXTBQ-LFVJCYFKSA-N 440.569 5.039 30 10 IKEE Cc1cccc(CSc2nnc(COc3c(C)cccc3C)n2/N=C/c2ccccn2)c1 1874298958 BKONMXOZNWQXMQ-JFLMPSFJSA-N 443.576 5.352 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3C)n2/N=C/c2ccncc2)cc1 1874359950 HLNHGUAHXHJHIS-WPWMEQJKSA-N 427.577 5.250 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1cccs1 1874392491 NQEDJGBWPXPBOO-SYXCRGJESA-N 447.589 5.104 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874394982 AGSUJHHDNRBPAP-LEBHPONQSA-N 443.532 5.513 30 10 IKEE Cc1ccccc1CSc1nnc(-c2cccs2)n1/N=C/c1ccc(F)cc1F 1874421073 TXNKGPFFBPJYAZ-WYMPLXKRSA-N 426.517 5.768 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2ccc(C)cc2)o1 1874427899 HHTHJDLKDSGOCE-MFKUBSTISA-N 446.532 5.198 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1cccs1 1874480035 FJAXYMUHKKCEHH-SRZZPIQSSA-N 425.410 6.164 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CCC)nnc2SCc2ccccc2F)cc1 1874507554 JEGQKYKGVPSYKE-PCLIKHOPSA-N 426.561 5.723 30 10 IKEE Clc1ccc(CSc2nnc(C3CC3)n2/N=C/c2ccc(Cl)cc2Cl)cc1 1874520159 DJYMUXXPNLRIKE-AUEPDCJTSA-N 437.783 6.290 30 10 IKEE CCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1/N=C/c1ccc(C(C)C)cc1 1874521776 LJAHJQTURYTHOL-AFUMVMLFSA-N 435.597 5.194 30 10 IKEE COc1cc(/C=N/n2c(S)nnc2[C@H](C)c2ccccc2)ccc1OCc1ccccc1 1874561347 NYDBGRIJZVFDIL-CVLFLDGLSA-N 444.560 5.188 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)cc1Cl 1874591200 XTGDIZZFZJBHIT-WUXMJOGZSA-N 439.870 5.401 30 10 IKEE CCCNC(=O)COc1cccc(/C=C/C(=O)c2ccc(OCCC)c(OCCC)c2)c1 1874594713 YSGFPOFTODHEMU-ZRDIBKRKSA-N 439.552 5.065 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3cc(C)ccc3C)c2)c(C)c1C 1874598430 LTLFLVVHHOCJJM-ACCUITESSA-N 443.543 5.842 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1Cl 1874618399 YTNWRUDLURUILV-PKNBQFBNSA-N 427.972 5.880 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])c1 1874625124 NJFVHJNEARGIRK-YCRREMRBSA-N 448.450 5.264 30 10 IKEE C=C(C)COc1c(OC)cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1OC 1874628289 VXPISPLZFOONGC-XNTDXEJSSA-N 430.500 6.347 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OCC(=O)Nc2ccccc2C)cc1 1874629470 FARLSLRXEKMMOF-SDNWHVSQSA-N 429.516 5.534 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc(OC)c1OCc1ccccc1 1874630567 ILUITRJSBJCFTJ-BUHFOSPRSA-N 442.555 6.524 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc([N+](=O)[O-])c1OCCCO 1874635496 OXGWFHPHUHZFKG-PKNBQFBNSA-N 441.524 5.257 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)c2)cc1 1874693842 YVTFKAXEMHXZPV-LFIBNONCSA-N 426.512 5.618 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3ccc(C)cc3C)c2)c(OC)c1 1874714078 CLWLFQYXMCHUEU-FMIVXFBMSA-N 446.499 5.201 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)CCc2ccccc2C)c1 1874717763 CBHBYBWYYADFTA-JLHYYAGUSA-N 434.919 6.091 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1ccncc1 1875082692 NBFANFXOGSQWEZ-NTUHNPAUSA-N 435.479 5.873 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3)c([N+](=O)[O-])c2)cc1 1875114399 RXKNKNBNUSEFFB-VGOFMYFVSA-N 431.444 5.038 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(Br)cc2)c(Cl)c1)c1ccccc1 1875127857 BLHDGJXRAYGIRW-WUXMJOGZSA-N 441.708 6.218 30 10 IKEE CCCCCCC(=O)Oc1c(OCC)cc(/C=C/C(=O)c2ccccc2)cc1[N+](=O)[O-] 1875128655 NQUINULOWMPPMQ-CCEZHUSRSA-N 425.481 5.765 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(Cl)c1OC(=O)c1ccncc1 1875153424 GKIKZJHHUTWPCC-MDZDMXLPSA-N 443.886 6.012 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(OCC)ccc2OCC)cc1OC 1875173341 YUIOSAMJTWEFDS-JLHYYAGUSA-N 426.509 5.484 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Br)c1OC(=O)C1CC1 1875176376 FLSQVANDLAWBJB-WEVVVXLNSA-N 429.310 5.286 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(F)cc2F)cc1 1875182245 UAKUILMXNHQDPB-BJMVGYQFSA-N 442.845 6.051 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)cc2)c(C)c1 1875182764 UJNJQSJPVQRLOA-LHMIDZBWSA-N 444.958 6.870 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2ccccc2)c(Cl)c1 1875184480 YEMUQUYDUYIJLB-SDNWHVSQSA-N 446.974 6.990 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N(C)Cc1ccccc1)n2CCC 1875205396 RJTIPMNINCOEON-UHFFFAOYSA-N 435.616 5.886 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N(C)CCCC)n2Cc1ccco1 1875233564 GPGCINHYJADIMA-UHFFFAOYSA-N 439.604 5.717 30 10 IKEE C=C(C)CC[C@H](NCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875652912 XGGDGFQVUFZJFD-WNJJXGMVSA-N 445.603 6.212 30 10 IKEE O=C(Nc1cc(Br)cc(C(F)(F)F)c1)c1ccc(C(F)(F)F)c(F)c1 1889902936 WIAUULHKMDPPPG-UHFFFAOYSA-N 430.117 5.878 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1cc(OC)ccc1NC(=O)OC(C)(C)C 1922077464 NXRDNIAVOOYCPA-DEOSSOPVSA-N 440.584 5.856 30 10 IKEE COc1cccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(C)cc2)c1Br 1927306284 RQZRXWQOWNHGRW-QGZVFWFLSA-N 431.330 5.773 30 10 IKEE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(C#N)cc1 1984694747 KLKDKGSVDOLHDQ-RUZDIDTESA-N 439.515 5.060 30 10 IKEE C=CC1(C[C@@H](C[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)NCCC)CCC1 2002635277 XMBJOLJNSQFZRF-DHIUTWEWSA-N 430.633 5.601 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C1(C)C 2005327271 DUKRYIRMYUHXLV-OSPHWJPCSA-N 435.609 5.389 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC[C@@]2(C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 2009499620 KVXRQLAYPPODOG-QHCPKHFHSA-N 447.963 5.375 30 10 IKEE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2037937297 XKPWKEVKEPSYII-WAQNLRHXSA-N 437.559 5.618 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCC(C#N)(N(C(=O)OC(C)(C)C)C3CCCC3)CC2)C1 2038430836 HWHLLQTYONZPOD-UHFFFAOYSA-N 447.620 5.630 30 10 IKEE COc1cccc2cc(C(=O)C=Cc3csc(N(C(C)=O)c4c(C)cccc4C)n3)oc12 2040483964 OXAMOHDAIONDFH-UHFFFAOYSA-N 446.528 6.095 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)[C@H]1C1CC1 2067979400 JQVFCLMFUTXWDR-NTKDMRAZSA-N 445.535 5.249 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CN(C(=O)OC(C)(C)C)[C@H]2C(C)(C)C)c1 2076160913 CCNXHXSATOXFGD-DFBJGRDBSA-N 443.588 5.664 30 10 IKEE C=C(c1ccccc1)[C@@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)NCCC 2076574483 SNPMOBFARQFNQH-RUZDIDTESA-N 437.628 5.095 30 10 IKEE CCCc1ccc([C@@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C(C)(C)C)cc1 2079879906 KTPGRCYFZKVYMD-LJQANCHMSA-N 432.406 6.093 30 10 IKEE CC1(c2nn([C@@H](c3ccc(C(F)(F)F)cc3)C(C)(C)C)c(Br)c2C#N)CC1 2079883325 AMMPRXJSQKZABQ-INIZCTEOSA-N 440.307 6.223 30 10 IKEE OCc1c(C(F)(F)F)nn([C@H](c2ccc(C(F)(F)F)cc2F)C2CCC2)c1Cl 2079978711 FXKATUYQWBPTAP-ZDUSSCGKSA-N 430.751 5.595 30 10 IKEE N#Cc1c(C2CCCC2)nn(Cc2ccc(C(F)(F)F)cc2Cl)c1Br 2080298678 YSBOVNXJJDSVOT-UHFFFAOYSA-N 432.671 5.895 30 10 IKEE Cc1ccc(Br)cc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 2098581621 ZLYYENIAVRRRKM-SFHVURJKSA-N 435.749 6.417 30 10 IKEE CCOc1cc([C@H](C#N)N(C(=O)OC(C)(C)C)[C@H](C)CC)cc(Br)c1O 2131261556 LVXFZBBWUHAPJZ-DOMZBBRYSA-N 427.339 5.154 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)C[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1 2174477913 NXOHLTDDYANGKV-MPZKKPTJSA-N 433.346 5.040 30 10 IKEE CC(C)CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cccc(Br)c1C#N 2174807727 FSMOTPOKAYGGIQ-INIZCTEOSA-N 436.394 5.183 30 10 IKEE COc1cccc(F)c1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2203463943 ZVDUNQLSWRSNEN-MRXNPFEDSA-N 435.293 5.603 30 10 IKEE C=CCCCCCC[C@H](NC)[C@@H](O)c1scc(Br)c1Br 2206896033 ZOGSJMWAYHBFPD-GXTWGEPZSA-N 425.230 5.421 30 10 IKEE CCCCCCCC[C@H](CO)N(CC1CC1)C(=O)OCC1c2ccccc2-c2ccccc21 2211084799 RXGUFWSSADHMCT-HSZRJFAPSA-N 449.635 6.759 30 10 IKEE O[C@H](C#Cc1ccccc1Br)c1c(Br)cccc1Br 2227486677 QFERYSDXJJGBDM-CQSZACIVSA-N 444.948 5.059 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCCC)c2ccc(Br)cc2C)C1 2237540186 FXADBWIYAYWWRV-IBGZPJMESA-N 437.422 5.659 30 10 IKEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)[C@@H](C)C(C)(C)C 2267600088 AJFYIEYDZYCJSR-FQEVSTJZSA-N 435.417 5.371 30 10 IKEE C=C(COC)[C@@H](OCCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2277263599 SSWLJNFUPPLMPB-MUUNZHRXSA-N 447.575 5.454 30 10 IKEE C#CCN(C[C@@H](NCCC)c1cc(Br)cc(C(C)C)c1)C(=O)OC(C)(C)C 2280709409 VUJDSPVTYPMSIL-HXUWFJFHSA-N 437.422 5.484 30 10 IKEE CC(C)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N(Cc2ccccc2)CC2CCC2)c1 2281935863 FYMZFFYNNHGFEY-UHFFFAOYSA-N 447.428 5.552 30 10 IKEE CC(C)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N(Cc2ccccc2)[C@@H](C)C(C)C)c1 2281937290 XWAMIPRVOFJOQV-NRFANRHFSA-N 449.444 5.796 30 10 IKEE Cc1cc(C(=O)N(Cc2ccccc2)CC2CCCCC2)ccc1B1OC(C)(C)C(C)(C)O1 2282119868 YCTYLDKDFVRCTP-UHFFFAOYSA-N 447.428 5.517 30 10 IKEE Cc1cc(OCc2ccccc2)ccc1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282664447 CUQUTVYVSPLVIB-UHFFFAOYSA-N 443.352 5.126 30 10 IKEE O=C1C(=Cc2cccc(Br)c2)Oc2cc(OCC=Cc3ccccc3)ccc21 2296597402 ZAALHXJBDMNOMY-UHFFFAOYSA-N 433.301 6.158 30 10 IKEE CCOC(=O)C1=C(Nc2cccc3ccccc23)SC(=Cc2cccc([N+](=O)[O-])c2)C1=O 2297624475 SIRXDYNIRYLIBD-UHFFFAOYSA-N 446.484 5.292 30 10 IKEE CCOc1cc(Br)cc(C=Nc2ccc(-c3nc4ccccc4o3)cc2)c1O 2297708074 CAEZPRRNWQHHBP-UHFFFAOYSA-N 437.293 6.112 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@]1(NC(=O)OC(C)(C)C)C[C@@H]2CCCC[C@@H]21 2298668566 KLERPAVUECNLHS-TUGCOKMYSA-N 428.617 5.211 30 10 IKEE C=CC[C@](C)(CC)[C@H](N)c1sc(Br)c(Br)c1Br 2304025634 UUFOXEVMRMBISW-PWSUYJOCSA-N 446.046 6.028 30 10 IKEE C=CCOc1cccc([C@@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2Cc2ccco2)c1 2314479034 YXWWPPGYIRXECR-RUZDIDTESA-N 441.483 5.023 30 10 IKEE CN1C(=O)C(=Cc2ccc(OCc3ccccc3Cl)cc2)SC1=Nc1ccccn1 2314541981 RJAHTZUXOUGMFO-UHFFFAOYSA-N 435.936 5.548 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O3)CN([C@H]1CCCC[C@H]1C)CO2 2322153075 CQWFIEPKGYXDES-JPYJTQIMSA-N 445.603 6.639 30 10 IKEE COc1ccc([C@@H](C)N2COc3ccc4c(c3C2)OC(=Cc2cccc(F)c2)C4=O)cc1 2322239837 FFNWEKIZVGOUIP-MRXNPFEDSA-N 431.463 5.364 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2c(C)cccc2C)cc1 2322359593 OFFMTRKJCGIYBS-UHFFFAOYSA-N 447.962 6.433 30 10 IKEE COc1ccccc1C=C1Oc2c(cc3c(c2C)OCN(CCCc2ccccc2)C3)C1=O 2322427200 JHPQMLNUOXPXMN-UHFFFAOYSA-N 441.527 5.405 30 10 IKEE CC(=O)Nc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2Cl)C3=O)c1 2322969274 NFCRGCDPCMVRTE-UHFFFAOYSA-N 447.874 5.442 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccccc1OCc1c(F)cccc1Cl 2323022215 VWLKOECVXHBMJG-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE Cc1c(OC(=O)C=Cc2ccc(F)cc2)ccc2c1OC(=Cc1ccc3c(c1)OCO3)C2=O 2323044163 BYRJFVFXVVDBDX-UHFFFAOYSA-N 444.414 5.098 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(=O)C=Cc4ccc(F)cc4)cc(C)c3C2=O)c1 2323044384 ZSDIOZPVAZNWDB-UHFFFAOYSA-N 430.431 5.378 30 10 IKEE Cc1ccc(NC(=O)COc2cccc(C=CC(=O)c3ccc4ccccc4c3)c2)cc1C 2323049387 JMTAETYHPNHIAH-UHFFFAOYSA-N 435.523 6.370 30 10 IKEE CCCOc1ccc(C=CC(=O)C(=O)N(Cc2ccccc2)c2ccccc2)cc1OCC 2323222828 WPJIWNUVKFBIIQ-UHFFFAOYSA-N 443.543 5.690 30 10 IKEE Cn1cc(C=C2Oc3cc(OC(=O)Cc4ccc(F)cc4)ccc3C2=O)c2ccccc21 2323226545 YXLQBWNPCIKUJG-UHFFFAOYSA-N 427.431 5.082 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCc3c(F)cccc3Cl)c2)c(OC)c1 2323283237 IZOVTCCMNWXATM-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE O=C(C=Cc1ccc(Cl)cc1)Oc1ccc2c(c1)OC(=Cc1ccc3c(c1)OCO3)C2=O 2323323721 YWFMKFMQEUJXML-UHFFFAOYSA-N 446.842 5.304 30 10 IKEE O=C(Cc1ccccc1[N+](=O)[O-])Oc1ccc2c(c1)OC(=Cc1cccc(Cl)c1)C2=O 2323379839 UQOJSDXGNZBIAZ-UHFFFAOYSA-N 435.819 5.013 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1 2323536449 XJRDKHXYNMUGKF-UHFFFAOYSA-N 427.544 6.251 30 10 IKEE Cc1c(OC(=O)c2ccc(OCC(C)C)cc2)ccc2c1OC(=Cc1ccncc1)C2=O 2323635340 NHOOAJJLUQLNFW-UHFFFAOYSA-N 429.472 5.260 30 10 IKEE COc1cccc(C=NNc2nc(-c3ccccc3)cs2)c1OCc1cccc(C)c1 2323865740 UEVQKIZTIXQIPE-UHFFFAOYSA-N 429.545 6.152 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c1C 2324345621 PALYMBOEDISWNY-UHFFFAOYSA-N 449.934 6.957 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc1 2324504784 BSCCJCHADWZSQJ-UHFFFAOYSA-N 443.971 5.581 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(C(=O)OC)cc3)n2)cc1 2324545766 DTSQYRUFXBDIPJ-OAQYLSRUSA-N 446.528 5.275 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3C)c([N+](=O)[O-])c2)cc1Cl 2324611440 PXXHNRAMKKJVFZ-UHFFFAOYSA-N 437.879 6.040 30 10 IKEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3cc(Cl)ccc3OC)cc2)o1 2324693900 WXJFIGADHVXTOK-UHFFFAOYSA-N 426.852 5.203 30 10 IKEE CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2cccs2)C3=O)c1 2324825800 SNRXSKROMZNGSL-MRXNPFEDSA-N 447.512 5.281 30 10 IKEE Cc1ccc(CCOc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2Cl)C3=O)cc1 2325367115 RCLOPCBWLFFANW-UHFFFAOYSA-N 425.311 6.540 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccccc1OC 2325532091 DSIHXKPAILGNNB-UHFFFAOYSA-N 430.577 5.957 30 10 IKEE COc1cccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(Cl)c(Cl)c3)c2)c1 2325737125 ZEYIIBVSUVAREF-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cccc(OC(=O)c3ccc4nc(C)c(C)nc4c3)c2)c1 2325740538 AJMFSEMTWRSYQZ-UHFFFAOYSA-N 436.511 5.979 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1OC(=O)CC1CCCCC1 2325765050 XNZXDTYPHWNQJJ-UHFFFAOYSA-N 448.603 7.073 30 10 IKEE CCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc([N+](=O)[O-])cc1 2326589382 XRZDEVAXSSJPGZ-UHFFFAOYSA-N 431.521 5.119 30 10 IKEE C=C(C)CSc1nnc(COc2cc(F)ccc2F)n1N=Cc1ccccc1Cl 2327459969 BMDHOLIRHHUJGG-UHFFFAOYSA-N 434.899 5.339 30 10 IKEE CSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(C(F)(F)F)cc1 2327702710 ALWPANOACGASJL-UHFFFAOYSA-N 426.467 5.645 30 10 IKEE C=CCSc1nnc(CCc2cccc(OC)c2)n1N=Cc1ccc(N(CC)CC)cc1 2328652359 CUWFKHXSQPUBDQ-UHFFFAOYSA-N 449.624 5.078 30 10 IKEE CCCSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1c(Cl)cccc1Cl 2328965122 UEFBIEAEZYAQQF-UHFFFAOYSA-N 447.435 6.371 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccc(C)cc3)n2N=Cc2cccc(O)c2)cc1 2329242404 RKCFSKHFLNSXAR-UHFFFAOYSA-N 444.560 5.066 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2sccc2C)cc1 2329247033 BBAIVBRYDRTWNH-UHFFFAOYSA-N 448.617 5.730 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccccc2Cl)n1N=Cc1sccc1C 2329539208 MPMLDTLYCXJDTL-UHFFFAOYSA-N 439.009 6.451 30 10 IKEE CCCOc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCCC)cc1OCC 2330499829 SBEFJDXCUUKKDW-UHFFFAOYSA-N 438.597 5.441 30 10 IKEE C(=Nn1c(SCc2ccccc2)nnc1-c1cccs1)c1cccc2ccccc12 2330580190 JDTHKEDVBUOMSY-UHFFFAOYSA-N 426.570 6.334 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC(C)C)NC(=O)C=Cc1ccc([N+](=O)[O-])cc1 2330584347 WQBNIXDBTIKMMZ-QHCPKHFHSA-N 445.604 5.396 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)ccc1OC(=O)c1ccc(OC)cc1 2330765105 CTAFSNWOHZHIIO-UHFFFAOYSA-N 430.500 5.772 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)cc3)c([N+](=O)[O-])c2)c1 2330785581 LRUAEBUJKPGJBY-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(OC)c(OC(=O)c2sccc2C)c(OC)c1 2331054901 QZDFVBOPKLFHNF-UHFFFAOYSA-N 438.501 5.198 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OC(=O)[C@@H](C)c1ccccc1 2331101314 RGBWWHKFUBGCLX-KRWDZBQOSA-N 436.454 5.969 30 10 IKEE CCOc1c(C=Nn2c(SCc3ccc(C)cc3)nnc2-c2ccco2)cccc1OC 2331167661 FYKCLEVWVGGNIR-UHFFFAOYSA-N 448.548 5.428 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1ccc(C=CC(=O)c2ccccc2)cc1[N+](=O)[O-] 2331170126 ALBJUNPAIUPIIO-UHFFFAOYSA-N 435.863 5.683 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2OCC)cc1 2331179223 ZLTHKZQEUXBRFJ-UHFFFAOYSA-N 444.527 5.918 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)c1ccc2cc(Cl)ccc2n1 2331183791 NAUDGTKFHPIVFI-UHFFFAOYSA-N 443.886 6.012 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1 2331238738 RKKBCPKKNOBWAO-UHFFFAOYSA-N 425.311 6.346 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)CCc1ccccc1 2331312678 NULLXMBPVFQFPU-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc3ccccc23)n1N=Cc1cccc([N+](=O)[O-])c1 2331402431 AHWZMUTXEMKNFK-UHFFFAOYSA-N 445.548 5.812 30 10 IKEE Cc1ccsc1C(=O)Oc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 2331417239 ZLCPXXSEOZBYJN-UHFFFAOYSA-N 449.528 6.378 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccccc1O 2331471215 WMYAWPKZAJXTFU-UHFFFAOYSA-N 435.380 5.664 30 10 IKEE COCc1nnc(SCc2ccccc2Cl)n1N=Cc1c(F)cccc1Cl 2331579882 UAQQUXIDQKCFMT-UHFFFAOYSA-N 425.316 5.045 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2Cl)cc1 2331705824 QWAJSGJGRRKXEI-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2c(F)cccc2Cl)nnc1C(C)C 2331716520 ANEMBBKGNLIBOE-UHFFFAOYSA-N 446.979 6.157 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cc(Cl)c(OC(=O)C2CCC2)c(OC)c1 2331741356 YCPYFBXTYOEZJX-UHFFFAOYSA-N 449.330 5.921 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)Cc2ccc(F)cc2)cc1 2331780397 AINLHXOGFPLAJB-UHFFFAOYSA-N 430.519 6.476 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)cc(OC)c1OC(=O)C(C)(C)C 2331859954 PIQWCKPNMMDDGL-UHFFFAOYSA-N 437.319 5.858 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)Cc2ccccc2)c(Cl)c1 2331876682 GHVPSSXAZSGRDA-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE N#Cc1ccc(OCc2cc(I)ccc2Cl)c(Br)c1 2352398129 NQQALLGNAORZTJ-UHFFFAOYSA-N 448.485 5.158 30 10 IKEE CC1(C)OB(/C=C/c2ccc(N[C@@H]3CC[C@@H]4CN(Cc5ccccc5)C[C@@H]43)nc2)OC1(C)C 2365054762 YGJVXDPDLMFCEG-CBTYUELSSA-N 445.416 5.049 30 10 IKEE CN(C[C@@H]1CCCCN1Cc1ccccc1)c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2365069263 YOHOGXGXIBYOTF-DEOSSOPVSA-N 447.432 5.217 30 10 IKEE N[C@H](C#Cc1cnn(C2CC2)c1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2365913684 LFVZHXYNMPFOSM-HHHXNRCGSA-N 449.554 5.428 30 10 IKEE CSc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OCC(C)C)cc2)C3)cc1 21227969 GKLWBPZVBNOFTB-UGKGYDQZSA-N 435.589 5.448 30 10 IKEE CCc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(SC)cc2)cc1 21240573 VFXBPEZKXGLCBT-PIKZIKFNSA-N 440.612 6.950 30 10 IKEE Cc1ccc(S(=O)(=O)/N=C(/Nc2ccc(F)c(Cl)c2)c2ccc(Cl)cc2)cc1 27490180 LXBKTVBUCAOBCO-UHFFFAOYSA-N 437.323 5.689 30 10 IKEE COc1ccccc1/C=C\C(=O)c1cc(Cl)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 33442019 RQAYOPCVMZJAMY-LUAWRHEFSA-N 437.835 5.372 30 10 IKEE N#Cc1c(/C=C\c2cccc(Cl)c2)cc(-c2ccc(Cl)cc2)n2c1nc1ccccc12 33571025 FSWMXHBUCZOOAA-HJWRWDBZSA-N 440.333 7.503 30 10 IKEE CCOc1ccc(/C=N/Nc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)n2)c(O)c1 38168011 ITQLCZJVFBUMOY-JVWAILMASA-N 428.467 5.500 30 10 IKEE CCc1ccc(Nc2sc3c(-c4ccc(C)cc4)c(C#N)c(N)nc3c2C(=O)NC)cc1 39895262 HRBDVJRKASQOBF-UHFFFAOYSA-N 441.560 5.391 30 10 IKEE Cc1ccccc1C(=O)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 41284896 XZVBOKFWERFFKA-IWIPYMOSSA-N 426.512 6.436 30 10 IKEE CC(C)(C)c1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccccc4)nn32)cc1 54642276 VWNPAICDUHWLGN-QHCPKHFHSA-N 444.604 5.890 30 10 IKEE CCN(CC)c1ccc(Nc2nc(SC)nc(-c3ccc(OC)c(OC)c3)c2C#N)cc1 62039740 JNCAZSHYHNZSIL-UHFFFAOYSA-N 449.580 5.344 30 10 IKEE C=C(Br)CNc1c(Br)cc(Br)cc1Br 71126116 XJVVEPKRHSRDHP-UHFFFAOYSA-N 448.778 5.295 30 10 IKEE C=CCn1nc(SCc2ccc(Cl)cc2F)nc1-c1ccc(Br)cc1 72264302 RSBZAQSYKVWDJI-UHFFFAOYSA-N 438.753 5.978 30 10 IKEE CCCCCCCOc1cccc(NCC(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)c1 100090091 LWQRYEOUOCQIDD-VWLOTQADSA-N 440.584 5.644 30 10 IKEE CCCCCCC[C@@](O)(c1ccc(OCC)cc1)[C@H](CN1CCOCC1)c1ccccc1 101662254 BDHOAVLJCSZZQQ-VSGBNLITSA-N 439.640 5.749 30 10 IKEE CCCCCCCCCCCn1c(CCNC(=O)c2cccs2)nc2ccccc21 102137909 SKRUOFQIICFRHU-UHFFFAOYSA-N 425.642 6.601 30 10 IKEE CCCCCCCCCN/C=C1\C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 136551784 BJECWUCCXYBPIH-VZCXRCSSSA-N 446.620 6.271 30 10 IKEE COc1cc(/C=N/Nc2ccc(Cl)cc2)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 169878808 UDHDVOVJPBJRDZ-ZMOGYAJESA-N 425.872 5.590 30 10 IKEE CCOc1cc(/C=N\S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1Cl 169908338 JAJRZRPICCEYNK-IWIPYMOSSA-N 429.925 5.126 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccc2OC)cc1 169941794 KUACTUONQPRNFE-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1 169953766 HPGQSBSYEIHNJZ-HSZRJFAPSA-N 446.934 5.497 30 10 IKEE CCCCc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccccn2)cc1 169993748 PXPNNGZLNYBERR-SANMLTNESA-N 440.543 5.526 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(O)c(Cl)c1)c1c[nH]c2ccccc12 170043713 FJZHNNJYMQOHAS-OAQYLSRUSA-N 436.895 5.048 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)s1 170063007 VWSZNEDOIJCCDG-SFHVURJKSA-N 442.899 5.335 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccccc2F)cc1C 170070050 UEOXVNIJNLIGME-QHCPKHFHSA-N 433.454 5.673 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@H]1c1ccc(C(C)(C)C)cc1 170150111 FJCRUIXBXFFVBX-OAQYLSRUSA-N 441.955 5.634 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2cccs2)c(C)c1 170156041 RFKRGFXWPBAREV-JOCHJYFZSA-N 433.529 5.465 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(Cl)c3)[C@H]2c2cccnc2)cc1 170185921 AUCLFLCWVHRPBR-JOCHJYFZSA-N 448.906 5.089 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1cccc(OCC(C)C)c1 170219133 SVSWDWAEKPNOKA-BXKMTCNYSA-N 449.547 5.033 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@@H]1c1cccc2ccccc12 170221194 CTXYRNOWURHLCS-DEOSSOPVSA-N 429.516 5.535 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@H]1c1ccccc1 170223841 WRMSYNVHMWGHGJ-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccc(C)o2)cc1 170305552 KVNTYDKOUBUJFX-QHCPKHFHSA-N 431.488 5.468 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2c(C)[nH]c3ccccc23)c1 170312137 IXYPHBOOIHKCLG-HSZRJFAPSA-N 432.520 5.253 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)c1 170471051 HRZHXZCWLJPVND-JOCHJYFZSA-N 435.564 5.504 30 10 IKEE CCOc1ccc(N2C(=O)C(=O)/C(=C(O)/C=C\c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 229101836 NXOUPXDCLRTMHD-HIPGSWILSA-N 443.474 5.407 30 10 IKEE CCCOc1ccc2ccccc2c1/C=C1/SC(=Nc2ccccc2CC)N(CC)C1=O 252629247 UCDIRXNTFIAGTA-OFGWUVNBSA-N 444.600 6.815 30 10 IKEE Sc1nnc(-c2ccco2)n1N=Cc1ccc(COc2ccc(Cl)c(Cl)c2)o1 254441829 CWHCOFTZMDOUMZ-UHFFFAOYSA-N 435.292 5.188 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccc(F)c2)cc1 526486687 NUWLBQKTHLZJNS-DEOSSOPVSA-N 428.463 5.543 30 10 IKEE CCN(CC)c1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526489757 RWCAFRCEQAUVBL-VWLOTQADSA-N 441.506 5.601 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1ccc(Cl)c(Cl)c1 526803163 TWEJLIVYPDGDAG-MSXFZWOLSA-N 437.371 6.241 30 10 IKEE CCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1ccc(Br)cc1 526811370 IXQFZNUCCHZSQP-UUYOSTAYSA-N 429.387 5.394 30 10 IKEE CCc1ccccc1N(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(OC(C)C)cc1 586254817 PEXCDBNYCSGZKD-UHFFFAOYSA-N 434.561 5.303 30 10 IKEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@@H](C#N)c1cc(Cl)ccc1Br 698831790 YGHSUZBHAYVYQI-LBPRGKRZSA-N 427.648 5.467 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 698855562 ZYSBUVNANNJYLA-DVECYGJZSA-N 447.551 5.639 30 10 IKEE C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)n(C)c2C)[n+]2ccc(CCC)cc2)c1 726572758 MZRRUDGMGGVWNZ-UHFFFAOYSA-O 430.597 5.187 30 10 IKEE Cc1ccc(Oc2ccc(C(F)(F)F)cc2N=Cc2cccc(Cl)c2O)c(Cl)c1 1083980824 BVHWZUGSVOUWJS-UHFFFAOYSA-N 440.248 7.569 30 10 IKEE CCCCCCOC(=O)CSc1n[nH]c(NN=C(C)C23CC4CC(CC(C4)C2)C3)n1 1084032898 XLLSBINYTZWYAJ-UHFFFAOYSA-N 433.622 5.025 30 10 IKEE C=C[C@@H](C#N)[S@@](=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-] 1088673369 PXNZVPKXMNDCTM-PSBQPLHCSA-N 430.791 5.245 30 10 IKEE CN1C/C(=C/c2ccc(C(F)(F)F)cc2)C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)C1 1088691007 SKRGGMSNWKYRIW-APGQMXJTSA-N 425.372 5.706 30 10 IKEE C[C@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccc2nc(O)oc2c1 1287384039 ADOKIMQINAISKQ-ZDUSSCGKSA-N 433.851 5.342 30 10 IKEE O=C1/C(=C/c2ccccc2)S/C(=N\N=C/c2cc(Cl)ccc2O)N1Cc1ccco1 1554646428 KIZOGBULFTVMJK-VBJGBMEFSA-N 437.908 5.145 30 10 IKEE COc1ccc(/C=C2/SC(=Nc3nc(C)cs3)N(C3CCCCC3)C2=O)cc1OC 1772734969 DYVMJJOKAAKLCB-VLTWACRQSA-N 443.594 5.405 30 10 IKEE C=C1CC[C@H](O)C/C1=C/[C@H](O)[C@]1(O)CCC[C@@]2(C)[C@H]([C@@H](C)/C=C/[C@H](C)C(C)C)CC[C@H]21 1857787970 KXILCRGOVVVVRF-XURQUDNNSA-N 430.673 5.807 30 10 IKEE Cc1ccc(-c2csc3nc(-c4ccncc4)n(Cc4cccc(C#N)c4)c(=O)c23)cc1C 1857804630 CAWWTTVKDLDFGI-UHFFFAOYSA-N 448.551 5.724 30 10 IKEE CCCCCCCCCCn1ccc(=O)c(OCc2cccc(C(=O)OC(C)C)c2)c1 1860774701 KUJDMEKBPIPMOR-UHFFFAOYSA-N 427.585 6.133 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1)[C@@H](C)CC 1861107278 UJFMQIXNNWEZCN-JAPWLKCZSA-N 435.052 6.141 30 10 IKEE CCCCCCCCNC(=O)[C@@H](NC(=O)c1ccc(Br)cc1)c1ccccc1 1861339415 LOHQJXBCNJJWOO-NRFANRHFSA-N 445.401 5.397 30 10 IKEE CCCCCCCCCCNC(=O)c1cc(CCc2ccccc2)n(Cc2ccccc2)n1 1862317067 PXNGZCKHTQRFQF-UHFFFAOYSA-N 445.651 6.587 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2c(F)cc(F)cc2F)n(-c2ccccc2Cl)n1 1862343875 MKNUDLVPOJMQRR-UHFFFAOYSA-N 431.845 5.424 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C(C)C)cc1 1862421664 NBHFVBUPZDJHJU-NRFANRHFSA-N 429.463 5.130 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@H]1c1ccc(F)cc1)c1cccc(Cl)c1 1862442993 MBPFLXMZDPJNGM-FQEVSTJZSA-N 441.911 5.362 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCc3ccccc3)[C@H]2c2ccc(F)cc2)cc1 1862474943 ZDVLOVKOBULBMD-VWLOTQADSA-N 443.518 5.735 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2cccc(F)c2)cc1 1862517601 QXOOOGJUBDNQDU-QFIPXVFZSA-N 425.500 5.239 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc(N(CC)CC)cc2)cc1 1862537671 ALQNYMXUYBJANG-VWLOTQADSA-N 448.607 5.720 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc(O)c1 1862650281 RTKIEVNLAAFHDG-WSNNEZGNSA-N 441.527 5.702 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1 1862675517 MYLVHQXHIHZDIG-GCJKJVERSA-N 441.499 5.174 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@H]1c1ccc2cc[nH]c2c1)c1ccc(F)cc1 1862679327 YCPLQCHOLDHINQ-QFIPXVFZSA-N 446.503 5.190 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862683866 VTHNIIROEBHVRA-IBGZPJMESA-N 435.417 5.469 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(C(C)C)cc1 1862726594 KLGBPJTYFSAJDJ-AREMUKBSSA-N 437.539 6.241 30 10 IKEE N#Cc1ccccc1NC1=C(c2ccc(Cl)cc2)C(=O)N(c2ccc(Cl)cc2)C1=O 1862793871 LCLWGBKMRQQBAF-UHFFFAOYSA-N 434.282 5.262 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C(C)C)c(C)c3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862905306 GWDWUWQDDXIOCJ-UHFFFAOYSA-N 435.527 5.695 30 10 IKEE CCCOc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(C)cc3)C2=O)cc1 1862973831 ITLZDMJSHZXFDQ-UHFFFAOYSA-N 437.499 5.052 30 10 IKEE Cc1ccc(NC2=C(c3ccccc3Cl)C(=O)N(c3cccc(C#N)c3)C2=O)cc1C 1863076485 PTVKUTTWKZQDFQ-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C)cc2C)=C(c2ccc(OC)cc2)C1=O 1863329113 XEJBPLMYAFSKMY-UHFFFAOYSA-N 434.580 5.865 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 1866342159 BHLOPVDGXVKINR-AREMUKBSSA-N 448.736 7.109 30 10 IKEE CCN(CC)c1cc(C)c2nc(C(=O)Nc3sc4c(c3C#N)CCCC4)cc(O)c2c1 1866561715 VMRZHWPGVKMAKZ-UHFFFAOYSA-N 434.565 5.159 30 10 IKEE C[C@H]1CN(c2cc(Nc3cccc(C#N)c3)nc(C(C)(C)C)n2)C[C@H](c2ccc(F)cc2)O1 1868333799 UQZUNSMIYHERBH-HTAPYJJXSA-N 445.542 5.495 30 10 IKEE Cc1nc(C2CCN(c3cc(Nc4ccccc4C#N)nc(C(C)(C)C)n3)CC2)sc1C 1868349981 APUDIOQVPUVREZ-UHFFFAOYSA-N 446.624 5.847 30 10 IKEE N#Cc1ccccc1Nc1cc(N2CCC[C@H](Oc3ccccc3)C2)nc(-c2cccnc2)n1 1868572821 IGEOHHKMSFNVRX-QHCPKHFHSA-N 448.530 5.202 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)OCC)c(=O)cc1CN(C)CCCC 1870695301 GGLVFURBJZNUJA-UHFFFAOYSA-N 436.637 5.163 30 10 IKEE C=CCn1cc(OCCCCCCC)c(=O)cc1CNc1cccc(Br)c1 1870833766 RLNLOAUKHYJZSS-UHFFFAOYSA-N 433.390 5.758 30 10 IKEE C=CCn1cc(OCc2cccc3ccccc23)c(=O)cc1CNc1ccc2c[nH]nc2c1 1870918784 PPSLHLCROLQPTR-UHFFFAOYSA-N 436.515 5.255 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3cc(OC(=O)/C=C/c4cccs4)ccc3C2=O)c1 1871379994 QUMFWGDXZXRFKT-JEUHMODBSA-N 434.469 5.000 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O)c1ccc(Cl)c([N+](=O)[O-])c1 1871384141 QXIFEEDZPREKOW-UKWGHVSLSA-N 439.782 5.223 30 10 IKEE CC(C)(Oc1ccc(Cl)cc1)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccccn1)C2=O 1871384915 PRVJFUYRWIITAB-BKUYFWCQSA-N 435.863 5.114 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2cccs2)C3=O)c(C)c1 1871411968 RXNFYLBWRPDGLT-VYZAVGSRSA-N 433.529 5.696 30 10 IKEE COC(=O)c1ccc(/C=C2\Oc3c(ccc(OCc4cc(C)c(C)cc4C)c3C)C2=O)cc1 1871418137 YRPLYUOYBKOUED-QFEZKATASA-N 442.511 5.902 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc5ccccc5c4)cc(C)c3C2=O)o1 1871419906 UNLALYXQTTZVLV-CFRMEGHHSA-N 439.467 5.683 30 10 IKEE CCCOC(=O)[C@H](CC)Oc1ccc2c(c1C)O/C(=C\c1cn(C)c3ccccc13)C2=O 1871434094 QTDOQNGIUCZWGU-KUOTXRDYSA-N 433.504 5.214 30 10 IKEE Cc1c(OCC(=O)Nc2cccc3ccccc23)ccc2c1O/C(=C\c1ccco1)C2=O 1871452315 FAYPGRHSMTYICP-UCQKPKSFSA-N 425.440 5.375 30 10 IKEE C=CCN=c1nc(Nc2ccc(Oc3ccccc3)cc2)[nH]c(N(C)Cc2ccccc2)n1 1871509399 ZVCBPAFKURPRSM-UHFFFAOYSA-N 438.535 5.064 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(OCC)cc2)[nH]c(N(CCC)CCC)n1 1871529546 BSNIGSQZTYCYEY-UHFFFAOYSA-N 442.652 5.835 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(C(C)C)cc1)c1ccccc1)S(=O)(=O)CCCC 1871843336 AVMHZVYZAIZLJB-DEOSSOPVSA-N 442.625 5.498 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)c(C)c1 1871990682 IHJZAGWIFYHZHM-DEOSSOPVSA-N 442.625 5.294 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)CCCC 1872427751 MPBJLDLMUFLSCE-HXUWFJFHSA-N 429.026 5.154 30 10 IKEE Cc1cccc(C)c1OCCCC(=O)[C@@H](C#N)c1nc(-c2c[nH]c3ccccc23)cs1 1872777942 ZTANRKHDIPDGBY-LJQANCHMSA-N 429.545 5.944 30 10 IKEE C=CCOc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2ccc(OC)c(C)c2C)cs1 1872778373 JWLHAASVGUXMFD-IBGZPJMESA-N 448.544 5.256 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)s3)n2)c1 1872780249 DIEHVRBKYRBZOB-AWEZNQCLSA-N 432.954 5.812 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2cccc(OC)c2)C1=O 1873214458 KPUPOSANHRCPET-OAQYLSRUSA-N 431.536 5.118 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(Cl)cc2)=C(c2ccccc2)C1=O 1873413005 HIHXTXPCPISIMR-UHFFFAOYSA-N 438.999 6.673 30 10 IKEE C=C(C)COc1ccc2c(C)c(CCC(=O)NC34CC5CC(CC(C5)C3)C4)c(=O)oc2c1 1873934032 OGIVDRXELCTXTK-UHFFFAOYSA-N 435.564 5.074 30 10 IKEE CSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874229764 ANVRDXHIIJOMDU-ZMOGYAJESA-N 428.989 5.721 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccccc3Cl)n2/N=C/c2ccccn2)cc1 1874265904 VJMDLPQLVBCFOW-VULFUBBASA-N 449.967 5.388 30 10 IKEE CCCCC1CCC(c2nnc(SCCO)n2/N=C/c2ccc(OCCC)cc2)CC1 1874286949 FWXCJEVDABQRKB-XIEYBQDHSA-N 444.645 5.498 30 10 IKEE C=CCSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874321367 OCCSFGXIITWEBQ-WGOQTCKBSA-N 434.609 5.932 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc(OCC)cc1 1874342409 OIBLKFHJLPMBAI-ZVHZXABRSA-N 426.973 5.471 30 10 IKEE C(=N/n1c(CC2CCCCC2)nnc1SCc1ccccc1)\c1cccc2ccccc12 1874407808 QJILCRJJKVQHNU-TURZUDJPSA-N 440.616 6.729 30 10 IKEE CCCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccc(O)cc1 1874479297 SXZCLVBTQRBPBS-FSJBWODESA-N 435.380 5.808 30 10 IKEE CCCOc1ccccc1/C=N/n1c(CCC)nnc1SCc1ccccc1Cl 1874507623 MMEFAUKANWVSPG-BUVRLJJBSA-N 428.989 5.847 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1cccc(OC)c1OC 1874508381 ZYABMTKMMUDXFC-YDZHTSKRSA-N 430.961 5.076 30 10 IKEE Sc1nnc(-c2ccco2)n1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1874559796 PESBQNZEZVPQOV-MFKUBSTISA-N 426.501 5.441 30 10 IKEE CCc1ccc(OCCCc2nnc(S)n2/N=C/c2c(Cl)cccc2Cl)cc1 1874568222 MOJNDGJMSLPXCQ-YDZHTSKRSA-N 435.380 5.330 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2c(C)cccc2C)cc1OC 1874571735 CXUVRZTZRBOENK-WYMLVPIESA-N 445.515 5.234 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(Cl)cc2)o1 1874578277 FQTQEOOFPMEKIA-BJMVGYQFSA-N 445.298 6.238 30 10 IKEE COC(=O)c1ccc(COc2ccc3ccccc3c2/C=C/C(=O)c2ccc(C)cc2)o1 1874579282 GLXAQPOCOPYIEB-BUHFOSPRSA-N 426.468 6.003 30 10 IKEE CCOc1c(Br)cc(Br)cc1/C=C/C(=O)c1ccc(C)c(C)c1 1874588348 IGOIEVXTPFOPSE-BQYQJAHWSA-N 438.159 6.123 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccccc2Cl)cc1Cl 1874590766 IMMAPEBJQWSFAY-RMKNXTFCSA-N 447.745 7.131 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2)c(Br)c1OCc1ccc(F)cc1 1874595386 IWCNFQANFMKPNW-UKTHLTGXSA-N 441.296 6.072 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2cccc(OCc3ccccc3F)c2)cc1Cl 1874600061 QINMGCFKQHXORT-MDZDMXLPSA-N 431.290 6.616 30 10 IKEE Cc1cccc(COc2ccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)cc2[N+](=O)[O-])c1 1874603892 JWZCISWRQGQMSK-UKTHLTGXSA-N 427.500 6.257 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)cc(Cl)c1OCc1ccccc1F 1874611143 CPCYRSBLVHJATQ-OUKQBFOZSA-N 440.898 6.362 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OCc1ccc(Cl)cc1 1874615105 HPLCFIMSRCYSKN-XYOKQWHBSA-N 436.935 6.449 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)c(C)c1 1874634133 MHYQRILXFNTMEC-GLBTYYSXSA-N 427.544 5.764 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)CSc3ccccc3)c2)cc1 1874696617 IVXNUMKNMNAUIJ-RIYZIHGNSA-N 434.513 5.298 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cccc(OC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 1874698972 WXKQPXNEHZUBJU-OBHPCNEJSA-N 436.891 5.618 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2ccccc2)cc1OC(=O)CC(C)(C)C 1874700196 GEOUKYDVPQFNCL-ZHACJKMWSA-N 431.326 5.695 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)c2)cc1 1874701915 NPHFHLFMQJGVPQ-KRWRZEAGSA-N 428.528 6.387 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1C 1874710421 BIUFMOWOCVFQQD-MDWZMJQESA-N 429.472 5.944 30 10 IKEE C=CCN(CC=C)CCC(=O)c1cccc(OC(=O)CCCOc2ccc(CC)cc2)c1 1874733052 OZGWCTAHMFNEPC-UHFFFAOYSA-N 435.564 5.260 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1sccc1C 1875096131 YHVLBEMCXLYQTB-XYOKQWHBSA-N 442.536 6.724 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)C3CCCC3)c(Br)c2)c1 1875102545 WKYYJHLNLGKHMG-PKNBQFBNSA-N 429.310 5.449 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3Cl)cc2)c1 1875104891 SXTGITAPMYOSDG-MDWZMJQESA-N 441.310 6.507 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)Cc2ccccc2Cl)c(Cl)c1 1875118869 SMICNAGNFMXTKV-ZRDIBKRKSA-N 441.310 6.046 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1ccc(Cl)cc1 1875125896 FWJIXTKCFKHVDT-QQDOKKFESA-N 442.254 6.017 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)Cc1ccc(C)cc1 1875141243 UTRMXGSWXCGPIT-FMIVXFBMSA-N 448.490 5.504 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)c1ccc(F)cc1 1875158955 VAVOLMBYVWXZRY-LHHJGKSTSA-N 434.438 5.817 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1[N+](=O)[O-])c1ccco1 1875189146 BEWPNWXBAZMOFI-XVNBXDOJSA-N 432.215 5.610 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC(C)(C)C)c(Cl)c2)c(OC)c1OC 1875194142 GNCOVTBXLURQIC-JXMROGBWSA-N 446.927 5.604 30 10 IKEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1cc(Cl)cc(C(F)(F)F)c1 1891111345 FLRCTCCTCLHZIJ-UHFFFAOYSA-N 435.751 5.190 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCOC[C@@H]1C(F)(F)F 1916555853 VWDGMOGLQRHQOV-YOEHRIQHSA-N 449.267 5.052 30 10 IKEE C=C(COCc1ccccc1)[C@@H](N)[C@H](O)c1ccc(-c2ccccc2Br)s1 1922066143 ROWNHICLXNWPNM-FGZHOGPDSA-N 444.394 5.311 30 10 IKEE CC1(C)CN(C(=O)OC(C)(C)C)C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 1922773061 WSIUIKZQRHEFDF-RUZDIDTESA-N 449.636 5.876 30 10 IKEE C=C([C@@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC)[Si](C)(C)C 1923016706 UEUOKWJGZCKBBF-FGZHOGPDSA-N 434.697 5.288 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 1953244005 UANCZTMGHQRUBJ-CLOONOSVSA-N 443.588 5.353 30 10 IKEE C#CCCN(CC(C)C)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1984724811 WFWSHPHOKHCKCL-SANMLTNESA-N 446.591 5.058 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)cn1 2003371641 OURFNBRHESHNPK-KRWDZBQOSA-N 444.557 5.492 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@H](C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2021497337 IOUWZFFRNAJMQA-QZTJIDSGSA-N 449.617 5.413 30 10 IKEE CCC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2032542389 VHFFTMSVKQDLRN-UQBPGWFLSA-N 443.588 5.748 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]12C[C@H]3CC[C@@H]([C@@H]1C2)N3C(=O)OC(C)(C)C 2043139670 CJGIVMSVXPHLJG-MMDWANJOSA-N 440.628 5.306 30 10 IKEE C#CCCCCC[C@@H](NC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071259139 SRXQGMIJCTULTN-HHHXNRCGSA-N 427.588 6.689 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)CC[C@H]2C)cc1 2076316169 FETVEWRKVIYMJX-KBMIEXCESA-N 443.588 5.666 30 10 IKEE Cc1ccc([C@@H](C(C)C)n2nc(C(C)C)c(C#N)c2I)cc1F 2079088075 WIHJIXBVGAGGMS-QGZVFWFLSA-N 425.289 5.176 30 10 IKEE Cc1ccc([C@@H](C2CCC2)n2nc(C(C)C)c(C=NO)c2Br)c(F)c1F 2079877901 GEYVJWPZRBVTKO-GOSISDBHSA-N 426.305 5.553 30 10 IKEE CCCOc1ccc([C@H](C2CCC2)n2nc(C(C)(C)C)c(C#N)c2Br)cc1 2080070524 DHEVVJXNPRKATD-IBGZPJMESA-N 430.390 5.993 30 10 IKEE N#Cc1c(C2CCCC2)nn(Cc2ccc(F)c(Br)c2)c1Br 2080294266 RIHQLAMFMWUXGH-UHFFFAOYSA-N 427.115 5.125 30 10 IKEE Cc1cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)ccc1Cl 2107697759 NJXXZWKGXXXNTJ-SFHVURJKSA-N 435.749 6.417 30 10 IKEE CC(C)(C)OC(=O)N1CCc2cccc(Nc3cc(Br)cc(C#N)c3)c2C1 2162417823 JFGOWQODYZNHPG-UHFFFAOYSA-N 428.330 5.358 30 10 IKEE CCN(c1cccc(Br)c1C#N)[C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 2174807892 HVXVMIZEYDWOAQ-YJBOKZPZSA-N 436.394 5.231 30 10 IKEE C#CC[C@H](C[C@@H](NCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br)C1CC1 2196853719 JUSQWQMXHJHZGV-OXQOHEQNSA-N 435.406 5.886 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1cc(Cl)ccc1NC(=O)OC(C)(C)C 2212700276 TXYKFXZDTMEHRR-JOCHJYFZSA-N 430.976 6.111 30 10 IKEE CC#C[C@@H](NCCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2218403528 QRIBATLILSXSQR-NAKRPHOHSA-N 429.560 5.270 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)C[C@@H](CCC)NC(=O)OC(C)(C)C 2235717333 JFLOVWSFWJLKGE-RBUKOAKNSA-N 437.422 5.252 30 10 IKEE CC#CCCC[C@@H](NCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237420603 UTEVYYNAKUDYDQ-WOJBJXKFSA-N 437.422 5.057 30 10 IKEE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCC#N)C(C)C 2243925623 YMTHYGDVNFDDOG-VWLOTQADSA-N 447.579 5.090 30 10 IKEE C=C(C)CC[C@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2262802750 IJFPJGGAOHHFGZ-SANMLTNESA-N 431.576 6.217 30 10 IKEE O=C(C#Cc1cccc(Br)c1)c1ccc(Br)c(Br)c1 2278808574 CVLOAAGMYJRAAJ-UHFFFAOYSA-N 442.932 5.209 30 10 IKEE CC1(C)OB(c2cc(C(=O)Nc3cc(Cl)c(Cl)c(Cl)c3)cs2)OC1(C)C 2282631907 DEJSMOMGZDDHHF-UHFFFAOYSA-N 432.565 5.260 30 10 IKEE CC(C)c1ccc([C@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2c2cccc(Cl)c2)cc1 2296208135 BIGUSMGZIZKJAE-QHCPKHFHSA-N 431.919 6.090 30 10 IKEE COc1cc(C=C2Sc3ccccc3C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 2296740239 OERFJZDXUYBERT-UHFFFAOYSA-N 438.526 5.101 30 10 IKEE CCN1C(=O)C(=C2Sc3ccc(OC)cc3N2C)SC1=Nc1cccc2ncccc12 2297312335 OOZYLMDLLGLYEG-UHFFFAOYSA-N 448.573 5.237 30 10 IKEE CCCCCCCOc1ccc(NC(=O)C(=Cc2cccc([N+](=O)[O-])c2)NC(C)=O)cc1 2313763936 CPJDOPJEMMFDNS-UHFFFAOYSA-N 439.512 5.060 30 10 IKEE O=C(C=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(NC(=O)c2cccs2)cc1 2314522955 DNLMJFXDDZBERV-UHFFFAOYSA-N 444.468 6.065 30 10 IKEE CC(=C1SC(=Nc2cccc(C(=O)O)c2)N(c2ccccc2)C1=O)c1ccc(O)cc1 2314547928 NBBJIAXGZLQJGT-UHFFFAOYSA-N 430.485 5.289 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)C2(NC(=O)OC(C)(C)C)CCCCC2)cc1 2318689848 FFIRPAXQRPGCHI-HXUWFJFHSA-N 443.588 5.856 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCc4ccc(C)cc4)c3C)C2=O)c(OC)c1OC 2321745658 BTLXAPSCXVVQJB-UHFFFAOYSA-N 446.499 5.524 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCc4ccc([N+](=O)[O-])cc4)cc(C)c3C2=O)cc1 2321853844 WHNKXEJGGITWOT-UHFFFAOYSA-N 431.444 5.497 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccco1)O3)CN(CCc1cn(C)c3ccccc13)CO2 2321911855 JXOYQMKVCNUCDO-UHFFFAOYSA-N 440.499 5.091 30 10 IKEE CCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1cccc(Br)c1)C3=O 2322040175 DESGVGYCTKLZRK-UHFFFAOYSA-N 428.326 5.326 30 10 IKEE Cc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(C23CC5CC(CC(C5)C2)C3)C4)cc1 2322238582 IOXQJKRWIMYTKE-UHFFFAOYSA-N 441.571 6.040 30 10 IKEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1ccc2c(c1)CCCC2)NCc1ccco1 2322335789 ULBHWLNVRYDGLR-UHFFFAOYSA-N 449.934 5.403 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2c(C)cccc2C)cc1 2322371049 JNXBYUJVJWBSEU-UHFFFAOYSA-N 443.543 5.788 30 10 IKEE CCOc1ccccc1C=NNc1cnn(-c2ccc(Cl)c(Cl)c2)c(=O)c1Cl 2322617453 MKCSKUYPROGTSO-UHFFFAOYSA-N 437.714 5.037 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2c(OCc3ccccc3Cl)ccc3ccccc23)cc1 2322731520 REIQZDRJBGURFQ-UHFFFAOYSA-N 440.970 8.092 30 10 IKEE CCCCCOc1ccc(C=C(C(=O)N(CCC#N)CCC#N)c2ccccc2)cc1OC 2322763122 XTFXUFCMRFWGHD-UHFFFAOYSA-N 445.563 5.461 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1ccccc1)c1ccc(Oc2ccccc2)cc1 2322807675 XCUPNZGIWLEUDJ-UHFFFAOYSA-N 440.926 7.607 30 10 IKEE COC(=O)COc1c(OC)ccc(C=CC(=O)c2ccc(C(C)C)cc2)c1Br 2323208241 VFHDBSRJFPXSHA-UHFFFAOYSA-N 447.325 5.029 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OCc1ccc([N+](=O)[O-])cc1 2323413116 RRKFSRGHRYRJOH-UHFFFAOYSA-N 439.467 6.232 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)c(Cl)c2)c1 2323486255 HSMLITKJRUBADY-GOSISDBHSA-N 449.934 5.501 30 10 IKEE CCCCCOc1ccc(C=NNc2nc(-c3ccc(Cl)cc3)cs2)cc1OCC 2323844464 QIHCPVWQZZHJRK-UHFFFAOYSA-N 444.000 6.877 30 10 IKEE CCCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccs2)C3=O)cc1 2323936743 IIODGNDAYHPCPS-UHFFFAOYSA-N 434.469 5.289 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OCc3ccccc3)c(Br)c2)ccc1F 2323972119 QOXIIRONECYHPT-UHFFFAOYSA-N 425.297 6.372 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 2324035812 RLFBMOWZMZPBEU-UHFFFAOYSA-N 441.310 6.240 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1cc(C)c2c(c1)OC(=Cc1cccc(C)c1)C2=O 2325093091 WMOOLYXCZZGFAA-QFIPXVFZSA-N 436.548 6.201 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O 2325141666 ACEWOQYZVLLKAI-QGZVFWFLSA-N 431.463 5.465 30 10 IKEE Cc1c(OCCN2CCCCC2)ccc2c1OC(=Cc1cccc(Br)c1)C2=O 2325701695 QBSHENYSYUYZIS-UHFFFAOYSA-N 442.353 5.238 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OCC(=O)Nc3cccc4ccccc34)cc(C)c2C1=O 2325707569 UBCWXINLCQRHEQ-UHFFFAOYSA-N 449.506 6.090 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OC(=O)c2ccccc2-c2ccccc2)c1 2325743583 VATWBAUSMATFID-UHFFFAOYSA-N 448.518 6.786 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(C(C)C)cc3)c2)cc1 2325750686 APNLOYSMHYVQTG-UHFFFAOYSA-N 428.484 5.851 30 10 IKEE Cc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)c2)cc1C 2325756733 VUHWFBDPEVJHCS-UHFFFAOYSA-N 426.556 6.581 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(OC)cc3)c2)c(OCC)c1 2325762705 WYAMONUSJNLPQM-UHFFFAOYSA-N 446.499 5.608 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(OC)c(OC(C)C)c1 2326251940 ILEJLJUTUXHRLI-UHFFFAOYSA-N 442.560 5.340 30 10 IKEE CCCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccccc1OC 2326606514 LPJAYUHZSYMXFR-UHFFFAOYSA-N 430.577 5.609 30 10 IKEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1c(C)[nH]c2ccccc12 2326823880 XVMMZAYUBANIKS-UHFFFAOYSA-N 448.552 5.493 30 10 IKEE Clc1ccccc1OCc1nnc(SCc2ccccc2)n1N=Cc1ccccn1 2327656244 YVOXWJQOOPMGRJ-UHFFFAOYSA-N 435.940 5.080 30 10 IKEE COc1cccc(CCc2nnc(SCc3ccccc3)n2N=Cc2ccccc2F)c1 2328638864 NPDHGWGFZILEEZ-UHFFFAOYSA-N 446.551 5.386 30 10 IKEE C=CCSc1nnc(CCc2ccccc2C)n1N=Cc1cccc(Br)c1 2329500688 YYPNXWCZWQMQDE-UHFFFAOYSA-N 441.398 5.295 30 10 IKEE C=C(C)CSc1nnc(CC2CCCCC2)n1N=Cc1ccc(N(CC)CC)cc1 2330269727 IAKGCOWJRREVQF-UHFFFAOYSA-N 425.646 5.798 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(Cc2cccs2)n1N=Cc1ccco1 2330416616 QQIRFKPNMXJLHG-UHFFFAOYSA-N 449.388 6.005 30 10 IKEE CCOc1cc(C=Nn2c(SC)nnc2-c2ccccc2)ccc1OCc1ccccc1 2330623429 URSZLXOGJMVECT-UHFFFAOYSA-N 444.560 5.527 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2cccs2)cc1 2330643485 PBUYLHFRRCPYAP-UHFFFAOYSA-N 447.589 5.182 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4ccccc4c3)cc2OC)cc1 2330674874 BVIDAOMTZJVKBK-UHFFFAOYSA-N 438.479 5.972 30 10 IKEE Cn1cccc1C=Nn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccccc1 2330679658 OSDRNBXAHMYSBD-UHFFFAOYSA-N 442.375 5.765 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)cc([N+](=O)[O-])c1OC(=O)c1ccco1 2330752853 WTXRLBOZYJTXHW-UHFFFAOYSA-N 435.432 5.264 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3cccc(OC)c3)cc2OC)cc1 2330800303 RRFHOVFOIKSUKL-UHFFFAOYSA-N 444.527 5.701 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)ccc1OC(=O)Cc1ccc(F)c(C)c1 2330977227 ZFBNZSVVFXHNGI-UHFFFAOYSA-N 448.490 5.586 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC(=O)C(C)(C)C 2331032777 DQKDZWAQTMNSJY-UHFFFAOYSA-N 431.872 5.495 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(OC)cc3)c(OCC)c2)cc1 2331206742 DOYAUWLWFPNWAW-UHFFFAOYSA-N 446.499 5.608 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OCC)cc2)cc(OC)c1OC(=O)c1ccccc1 2331211175 IAINDDWJKPQZRW-UHFFFAOYSA-N 442.511 5.938 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1 2331412718 AKQSZGWKAKGKEM-UHFFFAOYSA-N 429.472 6.008 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC(=O)c1ccco1 2331430143 ONVRDIBHLKRCTK-UHFFFAOYSA-N 444.527 6.430 30 10 IKEE Cc1ccc(C)c(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2)c1C 2331489780 DJILFMSWKCJJQD-UHFFFAOYSA-N 442.555 6.616 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)ccc1OC(=O)C1CCC1 2331608609 KIGYSYLEOIRTGQ-UHFFFAOYSA-N 428.484 6.089 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OC(=O)c1ccccc1 2331645474 CSYKKJFMMZNRRJ-UHFFFAOYSA-N 444.527 6.053 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3c(C)cc(C)cc3C)cc2Cl)cc1 2331768570 UEEPDXAKGLWQJC-UHFFFAOYSA-N 432.947 6.618 30 10 IKEE COc1cc(C=NNc2oc(-c3cccs3)nc2C#N)ccc1OCc1ccccc1F 2331938159 KAJCFBXCYIEFGK-UHFFFAOYSA-N 448.479 5.447 30 10 IKEE CCSC(=S)[C@@]1(C#N)N=C(c2ccccc2)c2ccccc2N1C(=O)c1ccccc1 977080 KBXPELSZBPOEIC-VWLOTQADSA-N 441.581 5.485 30 10 IKEE Cc1cc(C)nc(N/C(=N\C(=O)Nc2cccc(Cl)c2)Nc2cnc3ccccc3c2)n1 14159408 SQLHPDWXLIWWPQ-UHFFFAOYSA-N 445.914 5.407 30 10 IKEE CCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(Cl)c(Cl)c2)C3)cc1 21228963 PETKWNXBZSBFMZ-NVXWUHKLSA-N 430.331 5.396 30 10 IKEE CC(C)Oc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccncc2)cc1 21240032 NVTVRGSKPDTNKJ-NFQMXDRXSA-N 425.532 5.848 30 10 IKEE O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@@H](c1ccc([N+](=O)[O-])cc1)Nc1ccccc1N2 21247273 FUFVWDFAHKZAEW-CRICUBBOSA-N 429.451 5.713 30 10 IKEE CCOc1cc([N+](=O)[O-])cc(/C=N/c2cc(-c3nc4ccc(C)cc4o3)ccc2C)c1O 27473324 VZFWZIXJVCJTOV-DHRITJCHSA-N 431.448 5.875 30 10 IKEE O=C(/C=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(OCc2ccccc2)cc1 34857375 MFSGMVZXTSGGOA-KAMYIIQDSA-N 449.333 7.729 30 10 IKEE CC1=C(C(=O)OC(C)(C)C)[C@H](c2cccc(Cl)c2)CC(=O)N1Cc1cccc(C#N)c1 37576688 GQKNKGYIRFAEPF-NRFANRHFSA-N 436.939 5.343 30 10 IKEE O=C(O)c1cccc(/N=C2/S/C(=C\c3c[nH]c4ccccc34)C(=O)N2C2CCCCC2)c1 40467693 UYFRWGXXAFGOHH-ZQQCWGMFSA-N 445.544 5.803 30 10 IKEE C[C@H]1Oc2ccc(-c3csc(-c4ccccc4)n3)cc2N(Cc2ccc(C#N)cc2)C1=O 40593860 XFWIBTIIINQHSS-QGZVFWFLSA-N 437.524 5.663 30 10 IKEE Cc1c(OC(=O)c2ccccc2F)ccc2c1CCC/C2=N\OC(=O)c1ccccc1F 59377205 OUNIBEULZABPSK-XAYXJRQQSA-N 435.426 5.390 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OC/C=C/c4ccccc4)cc(C)c3C2=O)cc1 62942298 PISQHMZQDNABDW-IMRRZEAESA-N 439.555 6.550 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)[C@H](C)Oc1ccccc1[N+](=O)[O-] 100147558 HHNNINHDVNHAKS-QFIPXVFZSA-N 434.621 6.960 30 10 IKEE CCCCCCCCCCCCn1c(CCCCCNC(=O)C(C)C)nc2ccccc21 102164293 YJCTUCJIHFTIRX-UHFFFAOYSA-N 441.704 7.442 30 10 IKEE C[C@@H]1CCc2c(sc3nc(Cc4ccccc4F)n(Cc4cccc(C#N)c4)c(=O)c23)C1 169905665 FOVXZCTZFHLELS-MRXNPFEDSA-N 443.547 5.233 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccn1 169994031 OOZCRFUBWZLUCA-FQEVSTJZSA-N 439.298 5.480 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]2c2cccnc2)cc1C 170008828 ROMGPUKNOBCZLI-JOCHJYFZSA-N 432.907 5.443 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@@H]2c2ccncc2)c1 170022042 LOBXHQARHZTDAF-JOCHJYFZSA-N 448.906 5.225 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccncc2)c1 170026085 IXPTZNJQPHNEHJ-OAQYLSRUSA-N 441.512 5.091 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2cccc(O)c2)cc1C 170079405 RLHAYOKQLWVVHZ-VWLOTQADSA-N 441.527 5.915 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccc(C)c2)cc1C 170142192 PNOVZLWEUCZZOW-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(O)c(OCC)c1 170148982 RVUVBOJWIKQEHW-XMMPIXPASA-N 445.515 5.323 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccccn1)c1cc2cc(Cl)ccc2o1 170169262 NQOQKYGMFYVDIU-OAQYLSRUSA-N 448.837 5.403 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2cccnc2)c1 170182897 JUEIBZINTMYHDW-DEOSSOPVSA-N 436.467 5.026 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccncc2)ccc1Cl 170202518 JHEXTOLJMKSYBO-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccncc1 170206326 YXSFYWSOKPFTEL-DEOSSOPVSA-N 442.515 5.208 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(Cl)cc2)c1 170235104 OGHZLLZRNBVXHS-QFIPXVFZSA-N 433.891 5.522 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1C(C)C 170239530 SSYYAAKWQQNJGR-XMMPIXPASA-N 445.490 5.741 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccco2)cc1C(C)C 170279711 KLJWWUCGMRKCLQ-NRFANRHFSA-N 437.517 5.252 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1ccc(C)o1 170300305 IZABMCNPSVZLJZ-QFIPXVFZSA-N 431.488 5.305 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(OC(C)=O)cc2)cc1 170406906 LDGSHGJTBSLYOR-QFIPXVFZSA-N 447.512 5.019 30 10 IKEE COc1cccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 170432338 SBJQRVMUDYXPFA-LJQANCHMSA-N 436.533 5.129 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1cc(C(=O)OCC)ccn1 170491174 CGZCKZDYFASBLJ-UHFFFAOYSA-N 432.649 7.458 30 10 IKEE CCCCN(C)C[C@@H](O)Cn1cc(/C=C\C(=O)c2ccc(OCC)cc2)c2ccccc21 229383632 CIDKBTYELUXBPC-AONZOJHOSA-N 434.580 5.029 30 10 IKEE CC[C@H](C)Oc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1cccs1)C2 253571773 PJPXODVMDIJUEQ-WNGDZKDKSA-N 444.600 6.905 30 10 IKEE C=C1SC(=Nc2ccccc2Cl)N(C(=O)c2sc3ccccc3c2Cl)C1(C)C 254475819 UWGWRVLVWZBCQF-UHFFFAOYSA-N 447.412 7.377 30 10 IKEE Cc1ccc(N2C(=O)C3(CCCCC3)[C@H](N3CCCC3)C2=Nc2c(C)cc(C)cc2C)cc1 254737264 MHQBTGSCKXEFFD-AREMUKBSSA-N 443.635 6.412 30 10 IKEE CSc1nnc(C(F)F)n1N=Cc1ccc(COc2c(Cl)cccc2Cl)o1 254798909 UHSIPOQOJKSDIE-UHFFFAOYSA-N 433.267 5.299 30 10 IKEE COc1ccc(C=NN=C2CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]23C)cc1OC 254824743 KJCBMTPITIADGL-IILZIBOQSA-N 432.564 5.741 30 10 IKEE Cc1ccc(N2C(=O)C[C@@H](Sc3nc(C(C)(C)C)cc(C(F)(F)F)c3C#N)C2=O)cc1 261526539 AAOXEVPNWFSATE-MRXNPFEDSA-N 447.482 5.002 30 10 IKEE CCOc1ccc(NC(=O)c2c(N=Cc3cccc(F)c3)sc3c2CC[C@H](C)C3)cc1 263628686 FCEQIHZOIAIOKH-INIZCTEOSA-N 436.552 6.414 30 10 IKEE CCCCCCCCC(=O)Nc1ccc(Br)c(I)c1 302464613 XKRDQZCRUSNENX-UHFFFAOYSA-N 438.147 5.743 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3ccc(Cl)c(Cl)c3)[C@H]2c2cccc(F)c2)c1 526523147 USUSSIICULZERZ-OAQYLSRUSA-N 439.273 6.061 30 10 IKEE Cc1cccc([C@H]2C(c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2c2ccccc2C#N)c1 526606776 IRLYIYAJKMQMCA-QFIPXVFZSA-N 435.310 6.231 30 10 IKEE CCOc1c(Cl)cc(/C=N\n2c(C)nnc2SCc2ccccc2F)cc1Cl 526802529 JYRQCZJWNPFQRM-RMORIDSASA-N 439.343 5.606 30 10 IKEE COc1ccccc1/C=N\n1c(Cc2ccccc2)nnc1SCc1ccc(Cl)cc1 526807836 DNHVCKPVFCBWKH-QQXSKIMKSA-N 448.979 5.705 30 10 IKEE CCOc1cc(/C=N\n2c(CC)nnc2SCc2ccc(C)cc2C)cc(Cl)c1O 526811117 BSAWGNIFQMIURC-MSXFZWOLSA-N 444.988 5.390 30 10 IKEE Clc1ccccc1CSc1nncn1/N=C\c1ccccc1COc1ccccc1 526815833 RFIKDCYADQYFRM-WGARJPEWSA-N 434.952 5.685 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c1 698470383 PYUSDOHYGQCOEN-UJAPCULTSA-N 441.572 5.274 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCCCC12CCCC2 698483494 XFMGBRZMSFHNOM-QFIPXVFZSA-N 433.390 6.587 30 10 IKEE C[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)CCN1C(=O)OC(C)(C)C 698830199 IIUPRFSPYSKFNL-HJPURHCSSA-N 433.524 5.249 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@@H](C#N)c1cc(Cl)ccc1Br 698966454 NOIKBCOFAYYIAZ-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE CCN1C(=O)C[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)SC1=Nc1ccc(F)cc1 725400177 CKJVXKBISXKFDY-MRXNPFEDSA-N 440.327 5.113 30 10 IKEE O=C(/C=C\c1cc([N+](=O)[O-])ccc1N1CCC(C(F)(F)F)CC1)c1ccc(Cl)cc1 1082839281 MJCGIQBSBMWTHX-BAQGIRSFSA-N 438.833 5.923 30 10 IKEE C[C@@H]1CC(=Nc2ccc(F)cc2F)c2cc(F)ccc2N1C(=O)c1ccc(F)c(F)c1 1088669523 NLYONCCINBSILT-GFCCVEGCSA-N 430.376 5.942 30 10 IKEE CN1C(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)SC1=Nc1ccccn1 1772730308 CINWCPFYPPYXLA-QNPCYTEQSA-N 435.936 5.548 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(OCCCC)c(OC)c2)SC1=Nc1nc(C)cs1 1772738919 PMBQIUFDULQWQJ-HOMYTQLHSA-N 443.594 5.429 30 10 IKEE N#CCc1c(-c2cccc(OC(F)(F)F)c2)cncc1-c1cccc(OC(F)(F)F)c1 1848361858 NSGFFBIYKCIGQR-UHFFFAOYSA-N 438.327 6.279 30 10 IKEE CCCCCCCCCCN1C(=O)/C(=C\c2ccc(OCCC)c(OC)c2)SC1=S 1858586413 GZBGSEJWOUPOBK-RELWKKBWSA-N 449.682 6.826 30 10 IKEE C=CCN(CC=C)C(=O)Nc1ncccc1O[C@@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1 1858818413 ZEAJPKCWNXXRCU-AWEZNQCLSA-N 449.338 5.000 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)[C@H](C)Oc1ccccc1C(C)C 1861653624 MQATVGMWJWVANK-JTHBVZDNSA-N 432.649 5.729 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(F)cc1 1862383330 UILZRDTXJWPHLL-IBGZPJMESA-N 436.310 5.757 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2C)cc1 1862389761 NDGRPBGSINCVKP-VWLOTQADSA-N 440.543 5.511 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@H]2c2ccccc2C)cc1 1862429976 ZJBKIHRSHXAZDB-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2CC(C)C)c1 1862461433 FNYJQRZYXVYEQE-OAQYLSRUSA-N 447.453 5.127 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@@H]2c2ccccc2F)c1 1862490326 STVSNYBTTCQSCL-HSZRJFAPSA-N 449.909 5.874 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862497241 FDFPBSURIYKQGR-CPJSRVTESA-N 449.591 6.249 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1c(F)cccc1Cl 1862506112 WLQNIABPNHXRJX-OAQYLSRUSA-N 447.909 6.085 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(Br)cc1 1862513194 ZFNKRGGVRMMMLW-BFUOFWGJSA-N 446.316 5.273 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2ccc(Cl)cc2)cc1 1862515883 GJPLWVUGXDPZEJ-BTYIYWSLSA-N 427.928 5.506 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2CCC(C)C)cc1 1862539370 WUJMMFRXSXWNSL-RUZDIDTESA-N 449.591 6.052 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@@H]2c2cccc(OCc3ccccc3)c2)cc1 1862542316 GESPJOJDOKWARQ-RUZDIDTESA-N 441.527 5.426 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1)c1ccc(Cl)c(Cl)c1 1862580739 QUVSWRNDFPGXHF-OAQYLSRUSA-N 438.310 5.772 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1C(=O)O 1862583300 XQRUQYNXEBQJCN-GOSISDBHSA-N 448.302 5.070 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C2CCCCCCC2)c1 1862598323 SWCCHRURKLUULF-XMMPIXPASA-N 449.547 5.482 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C2CC2)cc1 1862622047 DPVBFCKTDPMWGZ-QHCPKHFHSA-N 433.548 5.514 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2cccc(C)c2)cc1F 1862636803 OROJGWCNGGNSKC-QHCPKHFHSA-N 449.453 5.060 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2cccc(Cl)c2)cc1 1862659821 BITGMEKWDRJLEQ-QFIPXVFZSA-N 441.955 5.204 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(F)cc2)=C(O)C(=O)N1CCc1ccc(F)cc1 1862673388 FBJZTIAUOKQKOG-HSZRJFAPSA-N 433.454 5.094 30 10 IKEE CN(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862678017 JFURXUJQKWQNGV-XMMPIXPASA-N 448.538 5.361 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc([N+](=O)[O-])cc1 1862717374 BLDDYOUXVRWRNE-OYHNWAKOSA-N 430.460 5.125 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccc(C#N)cc3)C(=O)N(Cc3ccc(Cl)cc3)C2=O)c1 1863401589 BPSXWYXAGCQCRB-UHFFFAOYSA-N 441.918 5.221 30 10 IKEE Cc1ccc([C@H](C(=O)N[C@@H](C(=O)Nc2ccc(C#N)cc2)c2ccccc2)C(C)C)cc1 1866960414 OPJIGDRNTVYZAW-JWQCQUIFSA-N 425.532 5.103 30 10 IKEE CC[C@](C)(NC(=O)c1cccc(Oc2ccccc2)c1)C(=O)N[C@H](C#N)c1ccc(C)cc1 1867702495 ZGGPKKSIXBVGOZ-SQHAQQRYSA-N 441.531 5.067 30 10 IKEE C[C@H]1Cc2ccccc2N(c2cc(Nc3cccc(C#N)c3)nc(-c3ccc(F)cc3)n2)C1 1868445746 UWVZSRAFWWMQCD-SFHVURJKSA-N 435.506 6.228 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC(C(=O)c3ccc(OC)c(C)c3)CC2)nc(C(C)C)n1 1869091455 KWGXGRQGBMEHHH-UHFFFAOYSA-N 448.611 5.195 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCC)c(=O)cc1CSCc1ccccc1 1870193920 TYAVMCVTXQJFRE-UHFFFAOYSA-N 445.625 5.584 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2F)c(CN2CCCCCC2)cc1=O 1870414429 PEWHXDKLMVHWJE-UHFFFAOYSA-N 428.592 5.761 30 10 IKEE CCCCCCCOc1cn(C[C@H](C)O)c(CNc2ccc(Cl)c(Cl)c2)cc1=O 1870836213 JCKVZIJRESWXSM-INIZCTEOSA-N 441.399 5.497 30 10 IKEE C=CCn1cc(OCc2ccc(CC)cc2)c(=O)cc1CNc1ccc(CCCC)cc1 1870890153 OIZXYVZRSRAZHW-UHFFFAOYSA-N 430.592 6.130 30 10 IKEE COc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN([C@@H]2CCCC[C@H]2C)C4)cc1OC 1871351282 SBCIJSYXTSXHLF-ZVBAGXSISA-N 449.547 5.359 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccccn1)C2=O)c1cccc(Oc2ccccc2)c1 1871379496 SMQISEUIZDRHKD-XYGWBWBKSA-N 435.435 5.709 30 10 IKEE CCn1cc(/C=C2\Oc3c(ccc(OC(=O)CC4CCCCC4)c3C)C2=O)c2ccccc21 1871380509 RNMAGWIRKMAQKG-XYGWBWBKSA-N 443.543 6.462 30 10 IKEE Cc1ccccc1OCCCCOc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 1871405508 SXTADWUIWYPUCJ-WKFBJJRUSA-N 426.512 6.405 30 10 IKEE Cc1cccc(OCCCCOc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)c1 1871405759 OYNBDGOUDVBDHY-XYGWBWBKSA-N 434.919 6.503 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2cccs2)C3=O)cc1 1871406134 ICSPBFRCVGDJSC-PJMHOZITSA-N 435.501 5.087 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OCCOc4cccc(C)c4)c3C)C2=O)c(OC)c1 1871408426 WMOMZNXAIVHQIY-MYYYXRDXSA-N 446.499 5.395 30 10 IKEE Cc1cc(OC(C)C)cc2c1C(=O)/C(=C/c1cc(Br)cc3c1OCOC3)O2 1871416095 LKOAYUICYBLXBE-WSVATBPTSA-N 431.282 5.027 30 10 IKEE CCCCCCCCCOc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O 1871429507 JRTREPDLBJDLFK-KQWNVCNZSA-N 443.381 7.195 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)c(Cl)c1 1871435957 HXARIFCCLBBZBX-JJFYIABZSA-N 437.854 5.421 30 10 IKEE CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2sccc2C)C3=O)cc1 1871449032 RIVMJRAIOCOVTO-GLFIFPSUSA-N 447.512 5.281 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871453622 IWGQIZYBTYFXAL-QFEZKATASA-N 427.500 5.752 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4c(C)cc(C)cc4C)cc(C)c3C2=O)c1 1871458797 MFBQLGRAQRYSFE-CFRMEGHHSA-N 441.527 5.862 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)c1 1871460446 MXCXCMSPHLPEEF-FMCGGJTJSA-N 433.891 5.591 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc2[nH]c(-c3ccc(OCCC)cc3)nc2c1 1872739254 CTVSIOQLJKLREC-UHFFFAOYSA-N 435.612 6.889 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccccc3C(C)C)n2)cc1C 1872765683 UVARSFIRLMXUCU-FXAWDEMLSA-N 434.561 5.894 30 10 IKEE Cc1cc(-c2csc([C@H](C#N)C(=O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)ccc1F 1872773163 XSHFVLZSGMJFCE-NSISKUIASA-N 447.535 5.044 30 10 IKEE COc1cc(-c2csc([C@H](C#N)C(=O)c3cccc4ccccc34)n2)c(OC)cc1Cl 1872782110 DTYUMITXVMKIQH-GOSISDBHSA-N 448.931 6.124 30 10 IKEE C=CCc1ccccc1OCc1cccc(C(=O)N2CCC(Cc3ccccc3)CC2)c1 1872846807 SVRGINMYNVGPDO-UHFFFAOYSA-N 425.572 6.089 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC(C)C)=C(c2cccc(Br)c2)C1=O 1873053127 LZCXHGOPVLVJSM-UHFFFAOYSA-N 449.433 5.668 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCOC)=C(c2c(C)cc(C)cc2C)C1=O 1873117547 KXOFCFNNNXCMBF-UHFFFAOYSA-N 428.617 5.068 30 10 IKEE N#Cc1ccccc1NC1=C(c2c(Cl)cccc2Cl)C(=O)N(Cc2ccccc2)C1=O 1873284578 QLSAECMGSBQNTN-UHFFFAOYSA-N 448.309 5.257 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc([N+](=O)[O-])c2)=C(c2ccccc2C)C1=O 1873305625 NDKMGXOLYCZWHO-UHFFFAOYSA-N 435.524 5.456 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2OC(C)C)=C(c2ccccc2C)C1=O 1873305778 UZXJTNLKNQODFI-UHFFFAOYSA-N 448.607 6.335 30 10 IKEE COc1ccc(OCCCc2nnc(SCc3ccccc3)n2/N=C/c2ccco2)cc1 1874220092 UCHMLWMYHSTCHF-KOEQRZSOSA-N 448.548 5.066 30 10 IKEE CCCOc1c(/C=N/n2c(CCc3ccc(Cl)cc3)nnc2SC)cccc1OC 1874281635 UCYOJLRYFYLIHW-BUVRLJJBSA-N 444.988 5.118 30 10 IKEE CCCCC1CCC(c2nnc(SCCc3ccccc3)n2/N=C/c2ccco2)CC1 1874288063 LVCAFCFJMKKUCJ-LGUFXXKBSA-N 436.625 6.552 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2)n1/N=C/c1ccc(F)cc1F 1874316854 NOIWTRDFYJHXIB-AFUMVMLFSA-N 428.508 5.118 30 10 IKEE Cc1ccc(/C=N/n2c(Cc3ccc(C)c(C)c3)nnc2SCc2cccc(C)c2)cc1 1874356891 FAQFHKDIMKELJJ-OGLMXYFKSA-N 440.616 6.277 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3ccccc3F)nnc2-c2ccccc2Cl)cc1 1874367066 JDBASGNIYAFZAC-DHRITJCHSA-N 438.915 5.618 30 10 IKEE Fc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2cccc(Cl)c2)cc1 1874379945 UONXCDFGHXLMQM-CVKSISIWSA-N 436.943 5.836 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2-c2cccs2)cc1O 1874420525 QDNVWMZDSPKSRD-YDZHTSKRSA-N 436.562 5.204 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2-c2cccs2)cc1 1874422278 DQVVNIZVHKZQTJ-MFKUBSTISA-N 432.618 6.360 30 10 IKEE C=CCSc1nnc(-c2cccs2)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874423031 RDCYDOUPZDQFLC-LFVJCYFKSA-N 446.557 5.386 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)(C)C)n2/N=C/c2cc(Cl)ccc2O)c1 1874438345 AZVFQAKJBSFWNB-DHRITJCHSA-N 443.016 6.017 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C(F)(F)F)c1 1874461557 TYYLFQMPCSDATP-AUEPDCJTSA-N 426.851 5.133 30 10 IKEE C(=N/n1c(SCc2cccc3ccccc23)nnc1-c1ccco1)\c1c[nH]c2ccccc12 1874467851 FRUZCMXDPBKDKE-LQKURTRISA-N 449.539 6.347 30 10 IKEE CCCCc1nnc(SCCc2ccccc2)n1/N=C/c1cccc(OC)c1OCC 1874478466 BHSVICARHJJKRM-XIEYBQDHSA-N 438.597 5.245 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccccc1OC(C)C 1874491550 XELYHBJAAPFJPP-AFUMVMLFSA-N 443.016 6.092 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccc(Cl)cc1 1874508644 OKVRQJZRZFPPKX-FOKLQQMPSA-N 439.799 6.365 30 10 IKEE COc1cc(/C=N/n2c(C)nnc2SCc2c(F)cccc2Cl)ccc1OC(C)C 1874534271 ZYYOTZFDSACVBN-BHGWPJFGSA-N 448.951 5.349 30 10 IKEE CCCOC(=O)COc1ccc(Br)cc1/C=C/C(=O)c1ccc(OCC)cc1 1874577863 JQOHFSULTREEQX-YRNVUSSQSA-N 447.325 5.076 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2c(F)cccc2Cl)cc1F 1874582197 BOSBRMFHPBKSBX-VMPITWQZSA-N 449.280 6.755 30 10 IKEE C=C(C)COc1c(/C=C/C(=O)c2cc(OC)c(Cl)cc2OC)cc(Cl)cc1OC 1874587405 LCCZRHSHLNIWOE-VOTSOKGWSA-N 437.319 5.870 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3ccc(C)cc3)c2)c(OCC)c1 1874600299 FDFGKOFYHISZOS-RVDMUPIBSA-N 446.543 6.276 30 10 IKEE Cc1ccc(COc2ccc(/C=C/C(=O)c3ccc(F)c(C)c3)cc2Br)cc1 1874618566 IHYIXPBGKUHYJZ-YRNVUSSQSA-N 439.324 6.680 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 1874635557 RZSPGIXMHNCQIZ-LZYBPNLTSA-N 445.534 6.345 30 10 IKEE CN(C)c1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(Cl)cc3Cl)c2)cc1 1874695622 KZLAVGZGZWOOQT-AWNIVKPZSA-N 440.326 6.175 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(OC)cc3)c2)cc1 1874695862 VWDQHPRQDWTHFI-RQZCQDPDSA-N 444.527 6.162 30 10 IKEE CCCc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c(C)c3)c2)cc1 1874695978 BXSOTGCIAFCACE-RVDMUPIBSA-N 444.527 5.837 30 10 IKEE COc1ccccc1CCC(=O)Oc1cccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c1 1874698019 HHDXUMXXYATIBH-OQLLNIDSSA-N 431.444 5.038 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(C(F)(F)F)cc2)c1)c1ccc(Cl)cc1 1874700669 GFBCNLHYWYQVNT-YIXHJXPBSA-N 430.809 6.474 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2cc(Cl)ccc2Cl)c1)c1ccc(Cl)cc1 1874700854 PWVHIMLVHKCIDL-NYYWCZLTSA-N 431.702 6.762 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(Cl)c1OC(=O)CCCSC 1875100517 FTLPBHLHPZTQBR-ZHACJKMWSA-N 448.968 5.692 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)cc2)cc1 1875113089 WABBSVNRVLONJO-GBWIRAHSSA-N 444.527 6.088 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1Br)c1cnccn1 1875113484 JPYBKJWXRNDTKX-FNORWQNLSA-N 443.684 5.008 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Br)c2)cc(OC)c1OC(=O)C(C)(C)C 1875114654 PBXXFCHGNZUSAN-MDZDMXLPSA-N 447.325 5.314 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 1875126223 VRZACSOJIQNOHH-VZUCSPMQSA-N 442.254 6.017 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 1875143565 GCQLTCAVBWPRCE-YRNVUSSQSA-N 435.407 5.166 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OC(=O)C1CCC1 1875149253 GPFIQYWWOBCYBS-NTEUORMPSA-N 440.967 6.638 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)c1cccnc1 1875156530 FWVIAZFPPCUKFY-KPKJPENVSA-N 449.934 6.372 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cc(C)ccc3C)cc2)c(C)c1C 1875168235 YNMDXODYBHVRQC-GXDHUFHOSA-N 428.528 5.973 30 10 IKEE Cc1cnc(C(=O)Oc2ccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)cc2[N+](=O)[O-])cn1 1875169491 TTWKSJVOTYAPLV-SOFGYWHQSA-N 445.475 5.042 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)cc3OC)cc2)cc1 1875178927 KCLWAEOBDYJYLQ-CXUHLZMHSA-N 446.499 5.147 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)ccc1OC(=O)C(F)(F)F 1875179869 FLDUUEWSBVNGPY-GQCTYLIASA-N 428.790 5.029 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@]1(C#N)C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 1880350141 JNRVZOJJFKPSKB-TTZMFTMZSA-N 432.564 5.701 30 10 IKEE CC(C)CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)ccc21 1891331361 LATOBAAFERTMGV-SFHVURJKSA-N 433.552 5.364 30 10 IKEE O=C(Nc1ccc(F)c(C(F)(F)F)c1)N1CC[C@H](Cc2ccc(C(F)(F)F)cc2)C1 1891398088 HGCVGXFCMLFBDD-CYBMUJFWSA-N 434.355 5.960 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1CN(C(=O)OC(C)(C)C)CCC12CCC2 1922087496 ZAYQBLPHZOEXGP-BJKOFHAPSA-N 442.644 5.555 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C12CC2 1925720874 JZKVGZSKIFHDCG-HSZRJFAPSA-N 431.508 5.003 30 10 IKEE CC(C)(C)OC(=O)N1CC2(C1)CC(C#N)(N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1)C2 2011946168 XTAJQGJERJSQCE-UHFFFAOYSA-N 447.963 5.375 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)C1(C#N)C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2033857246 WALYSWWRBKNGGO-VKSRLUHHSA-N 437.628 6.036 30 10 IKEE CCCN[C@@]1(C#N)CCC[C@H](CN(CCN(C)Cc2ccccc2)Cc2ccccc2)C1 2034739749 PPWHRZFEIDBVJL-NSOVKSMOSA-N 432.656 5.073 30 10 IKEE C=CCC1([C@@H](N)c2ccc(Cl)c(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2035947758 FURIXXLKVXFJPS-HNNXBMFYSA-N 433.749 5.055 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2037769243 WUQDROANEVSMHO-XMMPIXPASA-N 445.560 5.118 30 10 IKEE C=CCN(CC[C@H](Cc1ccc(Cl)cc1Br)NC)C(=O)OC(C)(C)C 2037967521 NCIYPJYECTXYHW-MRXNPFEDSA-N 431.802 5.046 30 10 IKEE CC(C)(C)OC(=O)NCC1CC2(C1)CC(C#N)(N(C(=O)OC(C)(C)C)C1CCCCC1)C2 2046444735 IDJFMDILHOGRIJ-UHFFFAOYSA-N 447.620 5.533 30 10 IKEE O=C(C=Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)c1cccs1 2053496558 BBKYVZZVKUFMFO-UHFFFAOYSA-N 435.346 6.259 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1CCN(C(=O)OC(C)(C)C)C12CCCC2 2058056449 GKQGNPSBJWFMMD-DNQXCXABSA-N 442.644 5.697 30 10 IKEE C=C1CC(C[C@@H](N)[C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1 2071360028 XKSXQUNPDDVFOI-NAKRPHOHSA-N 429.560 5.562 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccccc1 2072713294 QOVLLZGFUBNADZ-IBGZPJMESA-N 428.326 5.074 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@]1(C#N)CCN(Cc2ccccc2)C(C)(C)C1 2079242262 ZPPYLFJXWREJRF-AREMUKBSSA-N 437.559 5.904 30 10 IKEE C[C@H](c1ccc(C(F)(F)F)cc1)n1nc(C2(C)CC2)c(C#N)c1I 2079882116 RQMPIRSJHYUYPX-SNVBAGLBSA-N 445.226 5.039 30 10 IKEE CCc1nn([C@H](c2c(C)cc(C)cc2C)C2CCC2)c(I)c1C#N 2079977267 JVJJYBFIQCGWAI-IBGZPJMESA-N 433.337 5.237 30 10 IKEE COC(=O)c1c(C(F)(F)F)nn([C@@H](c2ccc(C(F)(F)F)c(F)c2)C(C)(C)C)c1N 2080048931 ZOMFUMMRTNYTJS-ZDUSSCGKSA-N 441.347 5.064 30 10 IKEE CCCOc1ccc([C@@H](C2CCC2)n2nc(C3(C)CC3)c(C#N)c2Br)cc1 2080068970 KENQZLQTDWOFBF-LJQANCHMSA-N 428.374 5.747 30 10 IKEE Cc1cc(Cn2nc(-c3ccccc3)c(C#N)c2Br)ccc1Br 2080353711 YXYPNVAOFXJAJG-UHFFFAOYSA-N 431.131 5.304 30 10 IKEE Cc1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)sc1Br 2082334983 AYOIEPZGLATOBX-CQSZACIVSA-N 425.323 5.965 30 10 IKEE Cc1cc(C#N)cc(Nc2cc(Br)c(Br)c(Br)c2)n1 2095445383 GXXSJESADDFLQI-UHFFFAOYSA-N 445.940 5.293 30 10 IKEE CC(C)C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1Nc1ccc(Br)c(C#N)c1 2149847012 RXZZBGPONAELKZ-QFBILLFUSA-N 436.394 5.404 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)ccc(F)c1Br 2159127120 CKUPCVVDGCEVLJ-QAPCUYQASA-N 445.348 5.075 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(Nc2ccccc2Br)C[C@@H]1C1CCC1 2194187599 LOIDPBMGNMPJMG-WIYYLYMNSA-N 434.378 5.323 30 10 IKEE N#Cc1ccc(NC[C@@]23CCC[C@@H]2CCN3Cc2ccccc2)c(F)c1Br 2197385907 YKHMYSPPXMLQNA-GCJKJVERSA-N 428.349 5.317 30 10 IKEE CCC#C[C@@H](NCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2218458315 PEMASRFCSRPXDM-NAKRPHOHSA-N 429.560 5.270 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[C@]2(C#N)Nc2ccccc2Br)C1 2233748986 GEUVKZLUXLNEPC-WHSLLNHNSA-N 434.378 5.180 30 10 IKEE CCC(C#N)(CC)NC(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2243924191 CQYRECDHXSVBFZ-XMMPIXPASA-N 447.579 5.138 30 10 IKEE CC(C)c1ccc(NC(=O)OC(C)(C)C)c(C(=O)NCC=CB2OC(C)(C)C(C)(C)O2)c1 2268782597 NCHVBTYKTANBRO-UHFFFAOYSA-N 444.381 5.074 30 10 IKEE CC(C)(C)OC(=O)N1Cc2sc(Nc3c(Br)cccc3C#N)nc2C1(C)C 2285237080 DCPZRZJMPXISCA-UHFFFAOYSA-N 449.374 5.507 30 10 IKEE CC(C)(C)OC(=O)N1CCC(CCCC(=O)C#Cc2ccc(Br)cc2)CC1 2296289004 NDPNQLKJIVWAGJ-UHFFFAOYSA-N 434.374 5.187 30 10 IKEE CCOc1ccc(C(=O)C(=Cc2ccc(OCC)c(OC)c2)c2nc3ccccc3o2)cc1 2296728684 CNBPTNLKEVJVCM-UHFFFAOYSA-N 443.499 6.057 30 10 IKEE Cc1ccccc1N=C1SC(=Cc2ccc3c(c2)OCO3)C(=O)N1c1ccccc1C 2296826701 FSNQOLKXMCXULO-UHFFFAOYSA-N 428.513 5.841 30 10 IKEE O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@@H](c2ccccc2)C1=C(O)c1ccc(F)cc1 2297060213 IYICTCVVUAHZNQ-FQEVSTJZSA-N 448.450 5.201 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC[C@@](C#N)(N(Cc3cccs3)C(=O)OC(C)(C)C)C2)C1 2301580193 NQGWAQMGMRSIPV-HSZRJFAPSA-N 447.601 5.169 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@@]12CC[C@@H](C1)N(C(=O)OC(C)(C)C)C2)NCCC 2302109002 RSBMUUKKFIRIOW-JCYRPKCISA-N 428.617 5.307 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@@H]2C=Cc1ccccc1 2313534821 FOHXMBOUDUWYPM-HXUWFJFHSA-N 440.465 5.733 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(-c3ccc(C(=O)O)cc3)o2)SC1=Nc1ccc(C)cc1 2314487583 JLNYRRRZBLYUMU-UHFFFAOYSA-N 444.512 5.743 30 10 IKEE O=C1C(=Cc2cccc([N+](=O)[O-])c2)SC(=Nc2ccncc2Cl)N1C1CCCCC1 2314543068 UXLGMDAAGUYPJH-UHFFFAOYSA-N 442.928 5.580 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(C2CC2)n1N=Cc1c[nH]c2ccccc12 2320915304 HWTIPGLDMGLBBU-UHFFFAOYSA-N 425.920 5.604 30 10 IKEE O=C1C(=Cc2ccc(-c3ccccc3)cc2)Oc2c1ccc1c2CN(C[C@@H]2CCCO2)CO1 2321961624 YWDQQZIMRXRHPZ-QFIPXVFZSA-N 439.511 5.301 30 10 IKEE C[C@H]1CCCC[C@H]1N1COc2ccc3c(c2C1)OC(=Cc1ccc(Cl)cc1Cl)C3=O 2322145971 HVOXMRJCAFSKAJ-VBKZILBWSA-N 444.358 6.340 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(S)nnc2CCCOc2ccc3ccccc3c2)cc1 2322274143 RVIWBAGPZYMEQW-UHFFFAOYSA-N 444.604 5.911 30 10 IKEE Cc1ccc(C=C2Oc3c(cc4c(c3C)OCN(CCOc3ccccc3)C4)C2=O)cc1 2322339028 HELCHKRJENDXRK-UHFFFAOYSA-N 427.500 5.151 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)c1OCc1cccc(C)c1 2322687377 GDXGYPBKGFXEBL-UHFFFAOYSA-N 448.990 7.430 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(F)c(F)c2)c1OCc1cccc(C)c1 2322781546 HTLLTGBIPSKPHG-UHFFFAOYSA-N 428.862 6.410 30 10 IKEE Cc1cc(OC(=O)C=Cc2ccc(F)cc2)cc2c1C(=O)C(=Cc1cccc(Cl)c1)O2 2323044321 JQJYUOXTZSLVJG-UHFFFAOYSA-N 434.850 6.023 30 10 IKEE Cc1c(OC(=O)c2ccccc2[N+](=O)[O-])ccc2c1OC(=Cc1ccc(Cl)cc1)C2=O 2323153949 CUZMAWBQAMQPPW-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE CCCOc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C)cc2)C3=O)cc1 2323460241 MMRUOWBZBWDNHU-UHFFFAOYSA-N 440.495 6.019 30 10 IKEE CCCC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2)C3=O)c1 2323921529 PLDTWDOJHIRYQF-UHFFFAOYSA-N 442.467 5.536 30 10 IKEE CCCOC(=O)COc1ccc(C=CC(=O)c2ccc(OCCC)cc2)cc1OCC 2323934183 SGPPLXPMHJOYJS-UHFFFAOYSA-N 426.509 5.102 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OCC(=O)NC1CCCCC1 2323959735 RVHXWWBMVLGUJN-UHFFFAOYSA-N 435.564 5.426 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OCc2ccc(C)cc2)c(Cl)c1 2324220856 WXBPMYOEGZTZTA-UHFFFAOYSA-N 448.990 7.430 30 10 IKEE Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccccc2)C3=O)c(C)c1 2324331949 IUZFXXYGINGFAK-FQEVSTJZSA-N 441.527 5.942 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1OCC(=O)OC 2324349412 QNUAAECOUGORJT-UHFFFAOYSA-N 430.928 5.420 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(O[C@H](C)C(=O)Nc4ccccc4)c3C)C2=O)c1 2324405503 HGDQPYZYZRWWLA-QGZVFWFLSA-N 429.472 5.026 30 10 IKEE COc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccc(C)cc4C)ccc3C2=O)cc1 2324493809 FSYCMVJYPXSLIN-GOSISDBHSA-N 443.499 5.334 30 10 IKEE Cc1ccc(OCCOc2ccc3c(c2C)OC(=Cc2cn(C)c4ccccc24)C3=O)cc1 2324538462 PIENKCRBQXHGSD-UHFFFAOYSA-N 439.511 5.869 30 10 IKEE C[C@@H](Oc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O)C(=O)Nc1ccc(Cl)cc1 2324609865 XUJLZJGFIZPKHL-CQSZACIVSA-N 437.854 5.501 30 10 IKEE CCc1ccc(OCCCOc2cc(C)c3c(c2)OC(=Cc2ccccc2C)C3=O)cc1 2324665651 XKBQIGTVZPWOIT-UHFFFAOYSA-N 428.528 6.330 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccccc3Cl)n2)c2ccccc12 2324840843 HIVHBHABXNSECG-FQEVSTJZSA-N 444.943 6.515 30 10 IKEE CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1C)OC(=Cc1c(Cl)cccc1Cl)C2=O 2325086551 ZLPMOPOOXHFDRP-GOSISDBHSA-N 449.330 6.029 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1ccc2c(c1)OC(=Cc1ccccc1OC)C2=O 2325092611 YLUDJRIMZFKNQX-OAQYLSRUSA-N 438.520 5.592 30 10 IKEE CC(C)c1ccc(NC(=O)COc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1 2325318216 BRVIJOIDFFSCRO-UHFFFAOYSA-N 439.511 6.000 30 10 IKEE C=CCSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1ccccc1OCCC 2325424671 NTZXIIGBXGHILQ-UHFFFAOYSA-N 436.581 5.423 30 10 IKEE Oc1ccccc1C=Nn1c(CCc2ccccc2)nnc1SCc1ccccc1Cl 2325449261 BYDOKVOEKLDDEW-UHFFFAOYSA-N 448.979 5.597 30 10 IKEE Cc1c(OCC(=O)NCc2ccccc2Cl)ccc2c1OC(=Cc1cccs1)C2=O 2325642680 ICMRVUSESNCTCU-UHFFFAOYSA-N 439.920 5.021 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(OC)c(OC)c3)c2)cc1 2325711509 XNDXXOBACQBENR-UHFFFAOYSA-N 444.527 6.162 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3ccc(C)cc3C)c2)cc1 2325711520 YYLMFJOBTFFTGL-UHFFFAOYSA-N 442.555 6.527 30 10 IKEE CCc1cccc(CC)c1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccco1)C2=O 2325718763 OFLNZICJWVBRIG-UHFFFAOYSA-N 431.488 5.347 30 10 IKEE CCc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2sccc2C)C3=O)cc1 2325723090 BIXVOBGDAJZIOJ-UHFFFAOYSA-N 433.529 5.561 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc3cc(Cl)ccc3n2)c1)c1ccc(Cl)cc1 2325730936 WDIMKVVLSHXOGA-UHFFFAOYSA-N 448.305 6.657 30 10 IKEE Cc1cc(C)c(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(F)cc2)C3=O)c(C)c1 2325736569 OFWHEKHNRKAHCK-UHFFFAOYSA-N 431.463 5.385 30 10 IKEE COc1ccc(CCC(=O)Oc2cc(C=CC(=O)c3ccc(C)cc3)ccc2OC)cc1 2325737808 JCQIPLRAGDCKBY-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE CCCOc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)OCO4)c2)cc1 2325747392 LQUVUWTYQYTVBC-UHFFFAOYSA-N 444.483 5.248 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)c3cc(C)cc(C)c3)c2)cc1C(C)C 2325754170 WTVVGHRYOSISGG-UHFFFAOYSA-N 442.555 6.859 30 10 IKEE Cc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1c(C)n(C)c2ccccc12 2326323816 FVWIBFZZGIEHFP-UHFFFAOYSA-N 431.609 5.859 30 10 IKEE COc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2ccccc2F)cc1 2328386353 HJUQKVWEXBRMQR-UHFFFAOYSA-N 448.523 5.179 30 10 IKEE CCSc1nnc(CCc2ccc(OC)cc2)n1N=Cc1ccc(Cl)cc1Cl 2328574921 SIAUHIBXGKYFST-UHFFFAOYSA-N 435.380 5.373 30 10 IKEE Fc1ccccc1C=Nn1c(CCOc2ccccc2)nnc1SCCc1ccccc1 2329200572 RLGUZOCNZLYBGQ-UHFFFAOYSA-N 446.551 5.256 30 10 IKEE Cc1cccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2C)c1 2329803715 SZIOHRTURRRUQY-UHFFFAOYSA-N 430.552 5.799 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)Cc3cccs3)c(OC)c2)cc1 2330736269 AXCWUXFDZSQPHT-UHFFFAOYSA-N 440.948 6.017 30 10 IKEE Cn1cc(C=Nn2c(SCc3cccc(F)c3)nnc2-c2ccco2)c2ccccc21 2331201402 YJDICHGTXJNIPS-UHFFFAOYSA-N 431.496 5.343 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)CCc1ccccc1 2331218704 WQZGJMUWMRXTEP-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)[C@H]1CCCO1 2331225697 PMZZIDUHKVLMCZ-OAQYLSRUSA-N 428.912 5.336 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1ccc(F)cc1 2331370183 JTXYSXRLZFHPPK-UHFFFAOYSA-N 434.463 5.657 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C(C)(C)C)c1 2331405527 SLENTXNXEVBYNA-UHFFFAOYSA-N 428.989 5.802 30 10 IKEE CC(C)Cc1nnc(SCc2ccccc2F)n1N=Cc1ccc(Br)cc1 2331453632 OSJYCZSEABLFSE-UHFFFAOYSA-N 447.377 5.553 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2Cl)cc1 2331493545 UQHLZZLIPWNZKW-UHFFFAOYSA-N 448.946 6.977 30 10 IKEE CCOc1ccc(C=Nn2c(COC)nnc2SCc2cccc3ccccc23)cc1 2331594845 HTTJGTARIMIGSU-UHFFFAOYSA-N 432.549 5.151 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccncc2)c([N+](=O)[O-])c1 2331794793 IUBYRJCCPLMNNL-UHFFFAOYSA-N 444.487 5.711 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C(F)(F)F)c([N+](=O)[O-])c1)c1cc(Cl)ccc1Cl 2331860587 DOTYXENKFQBAEU-UHFFFAOYSA-N 434.153 5.265 30 10 IKEE CC[C@@H](NC[C@H]1CCCCN1Cc1ccccc1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363837668 AZCCCUNICXFMTD-CLJLJLNGSA-N 448.460 5.081 30 10 IKEE CC(C)(C)OC(=O)N[C@@]1(C)C[C@H]2CC[C@H]1C[C@@H]2Nc1ccc(Br)c(C#N)c1 2380854243 DQIXPHASKXSJRO-YCNDBHRSSA-N 434.378 5.205 30 10 IKEE CC(C)(C)OC(=O)N[C@]1(C)C[C@H]2CC[C@H]1C[C@@H]2Nc1ccc(Br)cc1C#N 2380857461 WFJNKURCBZZLSZ-CUNIBPJMSA-N 434.378 5.205 30 10 IKEE CCCCN(C)C[C@H](O)Cn1cc(/C=C/C(=O)c2ccc(OCC)cc2)c2ccccc21 8611839 CIDKBTYELUXBPC-IGVGMEOHSA-N 434.580 5.029 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c(C)cc(C)cc1C)N2 14457853 OQSPCMZGJHCODQ-VMODYCNZSA-N 448.632 5.801 30 10 IKEE Fc1ccc(N2C(=S)C3(CCCCC3)[C@H](N3CCCCC3)/C2=N\C2CCCCC2)cc1 15861790 VVWRIFLZGXTUFT-LCQNATCMSA-N 441.660 6.509 30 10 IKEE CCc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(F)ccc2F)cc1 21223108 IZFAWUQJQBFAFF-CLYVBNDRSA-N 430.498 6.507 30 10 IKEE CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)ccc1O 21226900 NZWMMKQPXVFHCP-PIIWDFAUSA-N 440.543 6.079 30 10 IKEE CCOc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)c1 21248828 YHFYPGGOLGIMMV-XHCCPWGMSA-N 428.507 6.204 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccnc2)cc1OC 21259015 OSMITFMLMMZZSL-XHCCPWGMSA-N 441.531 5.468 30 10 IKEE CCOCCCNC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccco1 21356382 ZOPMHFYKLCHVJZ-QHCPKHFHSA-N 437.540 5.032 30 10 IKEE CCCn1cc(CN/C(=N/C(=O)c2ccccc2F)Nc2ccc(C(C)C)cc2)c(C)n1 32972917 ZDUOGVJYVXVIMD-UHFFFAOYSA-N 435.547 5.262 30 10 IKEE C=CCNC(=O)N(Cc1ccc(F)cc1)c1cccc(CC(=O)Nc2ccc(F)cc2)c1 37600584 WVBQQFCEASNVRN-UHFFFAOYSA-N 435.474 5.048 30 10 IKEE C=CCOc1ccc([C@@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2CCCC)cc1 38705214 VUZZXYXPPWATNQ-RUZDIDTESA-N 431.536 5.309 30 10 IKEE CCCCCCOc1ccc(C(=O)c2c(C)c(C#N)c(=O)n(C3CCCCC3)c2O)cc1 40522848 SGGLGVLPLFOMAR-UHFFFAOYSA-N 436.552 5.429 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1cc(C)c2c(c1)O/C(=C\c1cccc(C)c1)C2=O 41290071 MGIDISZTKVDPNK-XKZIYDEJSA-N 430.456 5.156 30 10 IKEE CC(=O)C1=C(C)Nc2nc(SCc3ccccc3F)nn2[C@@H]1c1ccc(Cl)cc1 54641587 VRXTYFLHLNGPKR-LJQANCHMSA-N 428.920 5.241 30 10 IKEE Cc1ccc(NC2=C(C(=S)Nc3ccccc3)C(=O)C[C@@H](c3ccc(Cl)cc3)C2)cc1 58840136 ZQNDOZORZIMSPZ-IBGZPJMESA-N 447.003 6.901 30 10 IKEE Clc1ccccc1CSc1n[nH]c(N/N=C/c2cccc(Oc3ccccc3)c2)n1 58994484 ZNHZMOAKQCIDKI-ZVHZXABRSA-N 435.940 5.989 30 10 IKEE O=C(O)c1ccc(COc2ccccc2/C=N/Nc2c(F)c(F)c(F)c(F)c2F)cc1 59160045 FMDMFJTUKNZUKW-OXUBWTJQSA-N 436.336 5.105 30 10 IKEE CCCCCCCCCCCCCCCCCCOC(=O)N[C@@]1(C)CCS(=O)(=O)C1 59568229 GYQPRLDQFGFHHF-DEOSSOPVSA-N 445.710 6.551 30 10 IKEE CCCCCCCOc1cccc(NC(=O)CNc2cccc(CCC(=O)N(C)C)c2)c1 100117811 NSIVLUPEWBJHGE-UHFFFAOYSA-N 439.600 5.107 30 10 IKEE CCCCCCCCCCn1c([C@H](C)NC(=O)c2ccccc2Cl)nc2ccccc21 102114800 LIIYQCJSGQZWRT-FQEVSTJZSA-N 440.031 7.321 30 10 IKEE CCCCCCCCCCn1c(CCCNC(=O)COc2ccccc2)nc2ccccc21 102158794 KONMVQUHKWSEHZ-UHFFFAOYSA-N 449.639 6.305 30 10 IKEE CN(C)c1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 102603001 JGIXGZPRIAAVOA-RKKARLDVSA-N 432.907 5.032 30 10 IKEE CCCCCCCCCCCCCC(=O)N1CCS[C@H]1c1cc(OC)ccc1OC 103000778 BLPSQMIHQCCWPL-VWLOTQADSA-N 435.674 6.979 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)cc(C)c2)c1 169930094 FFYTYPISYVEYCX-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE CCN1C(=S)N[C@@H](c2ccc(Oc3ccccc3C)cc2)C(C(=O)c2ccccc2)=C1C 169931971 MSPCOZUJYZWQSJ-VWLOTQADSA-N 442.584 6.195 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(C(C)(C)C)cc1 169974642 MMAXYVZPYUBKDS-XMMPIXPASA-N 441.527 5.776 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)c1 170057867 XKYVXJIGDYOYLW-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1cccc(O)c1 170081629 YNWSMGKSLFEMHQ-QHCPKHFHSA-N 433.891 5.148 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCc2ccc(F)cc2)o1 170102862 ZIPWJSZCYUQVBD-OAQYLSRUSA-N 439.870 5.202 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccc(C)c2)ccc1Cl 170141542 MEBSBURDFSYQBJ-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccccn2)cc1C 170173654 VKBFYRDAUPSRJY-QFIPXVFZSA-N 448.906 5.225 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1cccnc1 170191248 YMGRNMGNJMCCPD-XMMPIXPASA-N 440.543 5.779 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccncc2)c1 170204000 SBKXTVRWGCBCRX-QFIPXVFZSA-N 448.906 5.307 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccc(OCCC)cc1 170215245 XUAAJDWNNJDSQG-HSZRJFAPSA-N 432.520 5.335 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(F)cc1 170244230 CGUBIPYPPYYMJR-QHCPKHFHSA-N 435.539 5.953 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2C)cc1C 170271257 CTFCQIJKJDMHIC-XMMPIXPASA-N 445.490 5.624 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccco2)cc1C(C)(C)C 170291941 ARCKUWDHRHNLOL-QFIPXVFZSA-N 449.503 5.347 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccc(C)o2)c(C)c1 170302314 OMKCNECRODEJMX-QHCPKHFHSA-N 431.488 5.305 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 170409736 YWFNTKDZQJIWFT-XMMPIXPASA-N 438.483 5.130 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(Oc3ccccc3)cc2)[C@H]1c1ccc(O)cc1 170450097 VDFDKADGBXROGQ-VWLOTQADSA-N 443.499 5.700 30 10 IKEE COc1ccc2nc(Nc3c(C#N)cnn3-c3cc(C)c4cc(C)cc(C)c4n3)sc2c1 170547201 ZSOPCQBPCRQOHZ-UHFFFAOYSA-N 440.532 5.579 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)CCn1cnc2c(N)ncnc21 205171659 QUHDUXLUUZPERI-UHFFFAOYSA-N 430.641 5.396 30 10 IKEE CC(C)(C)c1ccc(/C=C2\S/C(=N\N=C/c3cccnc3)N(Cc3ccco3)C2=O)cc1 210546660 DCKIBDZCKKJLPD-OZQDGZCCSA-N 444.560 5.479 30 10 IKEE CCCCCCC[C@@H](NCC)c1cc(I)ccc1Br 232953465 YSAPJSKNDDCFRN-MRXNPFEDSA-N 438.191 6.065 30 10 IKEE C=C[C@@H](Sc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-])C(=O)O 249682128 BXUIXNRBCGUNPD-CQSZACIVSA-N 433.791 5.791 30 10 IKEE C=CCn1c(CNc2ccc(C)cc2)nnc1SCCCCOC(=O)c1ccccc1 253573933 RZUNOXZHYGLSGY-UHFFFAOYSA-N 436.581 5.114 30 10 IKEE CCC(=O)Nc1ccc(C(C)=NOCc2ccc(C(=O)Nc3ccc(OC)cc3)cc2)cc1 254393521 ZUHUMRIEYJKDGH-UHFFFAOYSA-N 445.519 5.237 30 10 IKEE CC(=NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc2c(c1)Nc1ccccc1S2 254490505 ZYLFSAZTMMOTNB-UHFFFAOYSA-N 444.438 6.658 30 10 IKEE CCCCCCCC[C@H](NC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 406756288 KJSKJQHJQOGGDH-IBGZPJMESA-N 427.427 6.807 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccc(OCC)c2)c1 526490386 VYDJKTSMBLOHKM-VWLOTQADSA-N 440.499 5.413 30 10 IKEE CCOc1cc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccc(C)c2)ccc1OC 526518109 YHHPQXVVTHFTPD-RUZDIDTESA-N 440.499 5.331 30 10 IKEE CCCOc1cccc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2C#N)c1 526606671 MTQWOBLXRPBTOH-DEOSSOPVSA-N 444.918 6.058 30 10 IKEE Cc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2c(C)n(C)c3ccccc23)cc1 526608078 DLXJYJNHGCMULF-AREMUKBSSA-N 433.511 5.724 30 10 IKEE COc1c(Cl)cc(/C=N\n2c(C)nnc2SCc2cc(C)ccc2C)cc1Cl 526818305 BOOCUZFKTHYFLV-RMORIDSASA-N 435.380 5.693 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(CCCC#N)CCc2ccc(F)cc2)cc1 586181876 ZXIFDWFGPJXFKC-UHFFFAOYSA-N 430.589 5.486 30 10 IKEE C=C(C)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(CCCCCC)cc1 586233386 LSHXBVKIKBWTFC-UHFFFAOYSA-N 431.598 5.598 30 10 IKEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2ccc(C)cc2Br)cc1 586712323 ZXMWGVHLYFWTCC-UHFFFAOYSA-N 428.330 5.216 30 10 IKEE C[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 698882556 DYAXSVONSCECLM-HJPURHCSSA-N 449.979 5.763 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1 698977843 HFDOAVACVHTKTK-VWLOTQADSA-N 428.532 6.580 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]([C@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)C1 699664538 ZAYYSAPPSGGOFR-XDHUDOTRSA-N 447.551 5.497 30 10 IKEE CCCCCCCCC[C@H](O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 702385025 RXKKVZPTMZEOOJ-JYFHCDHNSA-N 432.649 5.657 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@@H](C#N)c1ccsc1Br 706989844 DTPZQFUHAFQZBO-AWEZNQCLSA-N 427.751 6.170 30 10 IKEE CCCCCCCCOc1ccc(C=Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 725393945 DEISOKKYSDYOEK-UHFFFAOYSA-N 443.675 8.644 30 10 IKEE COC(=O)c1ccc(O)c(N/C(=N/Cc2cccc3ccccc23)N[C@@H]2CCCC[C@@H]2C)c1 1088709944 HSKHHWNLSYPZTP-FDDCHVKYSA-N 445.563 5.468 30 10 IKEE Cc1ccc(-c2nc(O)n[nH]2)cc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 1138798991 IBXAQYSVEKONAT-UHFFFAOYSA-N 445.866 5.055 30 10 IKEE CN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=Nc1ccccn1 1772730543 MBNNLKHTWLDFKT-CXJFQJJYSA-N 435.936 5.548 30 10 IKEE Cc1cccc(N=C2S/C(=C/C=C/c3ccccc3[N+](=O)[O-])C(=O)N2C2CCCCC2)n1 1772737503 OZBCQJBVZZASHN-NBDRXSTNSA-N 448.548 5.791 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=Nc1ccccc1C(=O)O 1772762496 LKPFJIKQVNCARE-HJTUMBPSSA-N 433.316 5.482 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccc2O[C@@H](C)C(=O)OCCCC)c1 1858731454 CULFRGOKYWUDLS-SFHVURJKSA-N 439.556 5.282 30 10 IKEE N#Cc1ccc(COc2ccc(NC(=O)Cc3ccc(Br)s3)cc2)cc1 1860162458 UDZXWWDVELANMM-UHFFFAOYSA-N 427.323 5.142 30 10 IKEE CCCCCCCCNC(=O)[C@](C)(CC)NC(=O)CCCOc1ccc(C(C)(C)C)cc1 1861692479 QTCFNKROTZKZOO-MHZLTWQESA-N 446.676 5.905 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1c(F)cccc1Cl 1862383649 PKLCZMULZCCTDE-QGZVFWFLSA-N 440.685 5.550 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc(C)cc2)cc1 1862389291 CGQJJUDUOZUWLU-ZOSUSCCZSA-N 445.603 6.495 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@@H]1c1c(F)cccc1Cl 1862396146 FCAIQLNOSVZYHI-NRFANRHFSA-N 427.903 5.586 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 1862397221 OKQLVCZZLLLXBN-KOSHJBKYSA-N 449.591 5.286 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1cccc(O)c1 1862412097 WPUNZQVRMNXJQB-JTSKRJEESA-N 443.490 5.608 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@H]1c1ccc(F)cc1)c1ccccc1Cl 1862430788 RTXJXYKECDUJGC-NRFANRHFSA-N 439.845 5.397 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(N(CC)CC)cc1 1862440138 SRIHAOBTADIOLJ-AOMKIAJQSA-N 440.971 5.563 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(C(C)C)cc1 1862446396 RFGINTJZYSOURY-JOCHJYFZSA-N 441.955 5.468 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1Cl 1862477370 WNJMSODXIBXWGJ-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OCCC)cc1 1862479488 IJZRLBLTAAAWOQ-DEOSSOPVSA-N 435.564 5.942 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CC(C)C)cc1 1862496287 GVLIRYJYBBHFBD-XMMPIXPASA-N 435.564 5.717 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccccc2)cc1 1862507676 QPNMDDNMRDDWFR-AVRWGWEMSA-N 443.518 6.036 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccc(Cl)cc2)cc1 1862535840 LGRBIYYDWSZVII-HSZRJFAPSA-N 449.909 5.820 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1cccc(Cl)c1 1862592092 VFIJLRWDNBOPEY-OYHNWAKOSA-N 433.891 5.385 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 1862662391 JCNAOSITEVSCDK-XMMPIXPASA-N 429.491 5.728 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2Cl)[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1 1862673296 LLSDBPXOPRFLBG-OAQYLSRUSA-N 439.845 5.397 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc(Cl)cc2)cc1 1862689274 MKMKVDNUGJQGIK-RBQRDFNRSA-N 439.939 5.506 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862703270 SLLUOMMYAUGXRS-RUZDIDTESA-N 445.559 5.726 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(Cl)cc1 1862725638 NZFITXVALJXDLM-HSZRJFAPSA-N 431.919 5.995 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(Cl)cc1Cl 1866029862 MBPNYULKJOPFRR-UHFFFAOYSA-N 428.488 9.193 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1ccccc1OCCCC 1866029988 SJZOWFZUCKPGQH-UHFFFAOYSA-N 431.705 9.066 30 10 IKEE CCCCCCOc1ccc(C(=O)N[C@H](CCC)C(=O)N[C@H](C#N)c2ccc(C)cc2)cc1 1867567515 VHUZVNCUALZQRQ-JWQCQUIFSA-N 449.595 5.234 30 10 IKEE COc1cccc(-c2nc(Nc3ccc(C#N)cc3)cc(N3C[C@@H](C)Cc4ccccc43)n2)c1 1868515867 IHOAGQDBSYKBPJ-IBGZPJMESA-N 447.542 6.098 30 10 IKEE CCCCCCCCCCn1cc(OCc2cccc(OC)c2)c(=O)cc1CSCC 1870164788 ROWJATBJKLBGOF-UHFFFAOYSA-N 445.669 6.830 30 10 IKEE CCCCCCCOc1cn(CCCOC)c(CNc2ccc(Cl)cc2C)cc1=O 1870830670 VSJXXGWHUAFDQI-UHFFFAOYSA-N 435.008 5.808 30 10 IKEE C#CCOc1cn(CC)c(CNc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1=O 1871004685 RZBZCPGJCWSUIE-UHFFFAOYSA-N 429.545 5.077 30 10 IKEE Cc1ccc(C)c(CN2COc3cc(C)c4c(c3C2)O/C(=C\c2ccccc2Cl)C4=O)c1 1871349411 SLMADRLZFORXCC-MSXFZWOLSA-N 445.946 6.234 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(C(C)C)cc1)C3=O)CN(CCCOC(C)C)CO2 1871351687 PAINABCBTNZUGX-CFRMEGHHSA-N 435.564 5.702 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2C)C3=O)cc1 1871382301 SFWAFLSKZKSWPM-UCQKPKSFSA-N 428.440 5.064 30 10 IKEE Cc1c(OC(=O)CCc2cccs2)ccc2c1O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 1871392436 WTHQTIXGMKHOMC-MOSHPQCFSA-N 435.457 5.119 30 10 IKEE C[C@@H]1CN(Cc2c(O)ccc3c2O/C(=C\c2ccc(-c4ccccc4)cc2)C3=O)C[C@@H](C)O1 1871395663 ZVLSSKKJLAAEFD-BCLROXSPSA-N 441.527 5.285 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)Nc2ccc(F)cc2)cc2c1C(=O)/C(=C/c1ccc(F)cc1)O2 1871400847 MWDWVVNNNGEJHF-QZDMBBGESA-N 435.426 5.295 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4)ccc3C2=O)cc1 1871403999 FYGJHLINEFHLJN-HZRSJKMUSA-N 429.472 5.108 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(O[C@H](C)C(=O)Nc3ccccc3C)cc(C)c2C1=O 1871409828 SNXLHOBNLABXPY-QHSFOXILSA-N 427.500 5.634 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OC[C@H]4CCCO4)cc(C)c3C2=O)c2cc(OC)ccc21 1871450241 RTWWONGVQIRXKY-BGMKMGARSA-N 433.504 5.152 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cccc(C)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1872266948 ARHHHCZRRHQANK-AVRDEDQJSA-N 449.016 5.269 30 10 IKEE N#C[C@@H](C(=O)/C=C\c1ccc2c(c1)OCCO2)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872760870 ZOKKWRFGXVUMNH-CTTRRDQISA-N 442.540 5.350 30 10 IKEE CCOc1ccc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(CC)cc3)cs2)cc1OC 1872761755 VEYIOIHRRDZLNO-HXUWFJFHSA-N 434.561 5.589 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(Nc2ccccc2C#N)=C(c2cc(F)cc(F)c2)C1=O 1873316351 DRJXVIDDFYVHJL-HXUWFJFHSA-N 437.490 5.387 30 10 IKEE CCCCCCCCN=c1nc2c(cnn2-c2ccc(C)cc2)c(Nc2ccc(C)cc2)[nH]1 1873488394 WCVQPESAJMXOKX-UHFFFAOYSA-N 442.611 6.370 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)cc2c(NCc3ccccc3Cl)ncnc21 1873605567 IFPPYZKNQPIYPY-UHFFFAOYSA-N 445.954 5.752 30 10 IKEE C=CCn1c(C(=O)Nc2ccccc2CC)cc2c(N(CCCC)CCCC)ncnc21 1873662326 MBLDDCUXTKSFMJ-UHFFFAOYSA-N 433.600 5.839 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1ccc(OCC)cc1 1874249550 GCGFQLBZNWNXRO-XIEYBQDHSA-N 438.597 5.381 30 10 IKEE Cn1cccc1/C=N/n1c(Cc2ccc(F)cc2)nnc1SCc1ccccc1Cl 1874379949 URRPXLRUGMROPR-AFUMVMLFSA-N 439.947 5.174 30 10 IKEE O=[N+]([O-])c1ccccc1/C=N/n1c(SCc2ccccc2F)nnc1-c1ccccc1 1874428241 YKPYECHZRRYIOU-ZVHZXABRSA-N 433.468 5.167 30 10 IKEE Cc1ccc(CSc2nnc(C(F)(F)F)n2/N=C/c2c(F)cccc2Cl)cc1 1874459119 XJBFZRQQELFAHI-PGGKNCGUSA-N 428.842 5.572 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C(F)(F)F)cc1 1874462935 LNJRYGJTQLGCQR-LIMNOBDPSA-N 447.269 5.484 30 10 IKEE COCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874473826 YZVYWJUPEOAYCK-MFKUBSTISA-N 443.016 5.592 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C/c1c(Cl)cccc1Cl 1874477399 YNNDMEVRXNFJAV-WYMPLXKRSA-N 437.371 6.241 30 10 IKEE CSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1/N=C/c1sccc1C 1874542023 FTJYBLYKDVTRLS-WSDLNYQXSA-N 435.018 5.534 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2cccc(Cl)c2)cc1OC 1874572743 CIDIDSMRGBLPCF-ZRDIBKRKSA-N 438.907 5.841 30 10 IKEE O=C(/C=C/c1ccccc1OCc1ccccc1Cl)c1ccc(Br)cc1 1874574409 LBZSBDGOMFGURG-SDNWHVSQSA-N 427.725 6.578 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cccc(OC)c1OCC(=O)Nc1cccc(C)c1C 1874576953 OGTUTDOGYBAEPZ-FOCLMDBBSA-N 445.515 5.234 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccccc2)c1OCC(=O)Nc1c(C)cccc1C 1874578416 MUHNJWVVKKNUOX-OUKQBFOZSA-N 449.934 5.879 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(F)cc2)c1OCc1ccc(Cl)cc1 1874583794 GUASIBURNHASOK-IZZDOVSWSA-N 431.290 6.616 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3cccc4ccccc34)c2)cc1C 1874593384 GZIRUNJXWHNPDN-SDNWHVSQSA-N 438.523 6.641 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OCC(=O)Nc1cccc(C)c1C 1874595007 PFUQCZVJMPBJJE-ACCUITESSA-N 449.934 5.879 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OCc3cccc(Cl)c3)c([N+](=O)[O-])c2)cc1 1874622710 QWFPMJUGCQZTGR-NTUHNPAUSA-N 449.934 7.021 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2)c1C 1874624000 GXUDKHCXFUFOMS-LICLKQGHSA-N 427.544 6.340 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OCC(=O)NCc2ccco2)cc1 1874624861 ZHUJWZYICFVNTF-UKTHLTGXSA-N 447.531 5.177 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3cc(C)ccc3C)c2)c1 1874694608 LZPYKOYYEJOISV-ZRDIBKRKSA-N 430.500 5.365 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc4nc(C)c(C)nc4c3)c2)c(C)c1 1874702539 WEINDRDFHFMMQX-UKTHLTGXSA-N 436.511 5.979 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)[C@@H](C)c3ccccc3)c2)c(OC)c1 1874714083 COWWLBZDASXZJD-MDNBWPLSSA-N 446.499 5.318 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3cccc(Br)c3)c2)c(C)c1 1874716344 NVZZPAFCYQMJDH-ZHACJKMWSA-N 449.344 6.490 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COCc3ccccc3)c(OC)c2)cc1C 1875108989 QSEBUHWMSGOHBK-FMIVXFBMSA-N 446.499 5.031 30 10 IKEE O=C(Cc1cccs1)Oc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl 1875116530 GKEXNUHDAVNONO-YCRREMRBSA-N 427.865 5.354 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)c2ccc3nc(C)c(C)nc3c2)cc1 1875118480 YGPPARNBBQKJSH-XNTDXEJSSA-N 438.483 5.371 30 10 IKEE COc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2Cl)cc1 1875133356 QTOXJHLDSQLUPU-WLRTZDKTSA-N 436.891 5.538 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccs3)c(Cl)c2)cc1 1875137469 NVCVXCSURQGPQN-VZUCSPMQSA-N 426.921 6.306 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Br)c1OC(=O)C(C)(C)C 1875140398 DPWWCYXAXSQJLD-MDZDMXLPSA-N 445.353 5.922 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC(=O)c1ccco1 1875149404 ONVRDIBHLKRCTK-XNTDXEJSSA-N 444.527 6.430 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1)c1ccc(F)c(F)c1 1875161960 PIVXFQVUMNONTB-YCRREMRBSA-N 448.421 5.227 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc(OC)c1OC(=O)C(C)C 1875185068 FNIWIRPASRGPQL-WYMLVPIESA-N 434.576 6.487 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc(Cl)c1OC(=O)C(C)C 1875189328 LDPISMUXKYNVPA-VMPITWQZSA-N 441.738 6.503 30 10 IKEE C[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)CN1C(=O)OC(C)(C)C 1900092024 SEMBLLIPBIDBLV-QRQCRPRQSA-N 435.952 5.373 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)cc1 1944076867 ZEDCZPODRPARMC-LJQANCHMSA-N 443.569 6.097 30 10 IKEE C=CCCCCC[C@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 1947476082 JIJKDDYOKTWOTF-DNQXCXABSA-N 432.649 5.991 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]1(C)[C@](C)(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1953199434 NVEJDGSLYUBSGP-ZEQRLZLVSA-N 429.561 5.105 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@]1(CC)CCCCN1C(=O)OC(C)(C)C 2007550079 HFULMLPSFICTSP-BVAGGSTKSA-N 430.633 5.697 30 10 IKEE CC[C@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(C)c1 2014649575 ZBZOKRBMIOFJBF-NTKDMRAZSA-N 429.561 5.418 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)cc1Br)NC 2028172233 OKDBTXFUTKZXCY-IRXDYDNUSA-N 431.802 5.093 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@H]2C[C@H]1C[C@H]2NC(=O)OC(C)(C)C 2046020904 XYKMGLHAKOKUNN-BBRCJUOPSA-N 441.572 5.322 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)[C@H]2CC[C@@H]21 2057587900 YZWTWFUXFPVVDG-ZYLNGJIFSA-N 447.620 5.628 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Cl)c1Br)NCCC 2063091035 YMGDVYLRMOHOLY-CVEARBPZSA-N 431.802 5.093 30 10 IKEE CCc1ccc([C@H](C(C)C)n2nc(C(F)(F)F)c(C#N)c2I)cc1 2079130814 JNKFAOSUZCDHCX-AWEZNQCLSA-N 447.242 5.186 30 10 IKEE CC(C)(C)[C@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)(F)F)c(C=NO)c1Cl 2079971801 MDUQRDGCNVXWNA-ZDUSSCGKSA-N 445.766 6.157 30 10 IKEE CCCOc1ccc([C@@H](n2nc(CC)c(C#N)c2I)C2(C)CC2)cc1 2080126212 NKIXHJPOFKFIJW-GOSISDBHSA-N 449.336 5.100 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(Cl)cc(Br)c1 2088228553 XBKAYDRBRNHIEP-GOSISDBHSA-N 435.749 6.417 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1c(C)sc(C)c1Br 2092953649 REYFHTJBLKTMHU-MRXNPFEDSA-N 435.387 6.442 30 10 IKEE CC(C)(C)OC(=O)NCC1CCC(CNc2ccc(C#N)c(Br)c2F)CC1 2162292972 GBBTUFZANOEUQV-UHFFFAOYSA-N 440.357 5.203 30 10 IKEE CN(Cc1cccc(CNc2cc(Br)cc(C#N)c2)c1)C(=O)OC(C)(C)C 2162328284 OOIULPGFZFFADN-UHFFFAOYSA-N 430.346 5.300 30 10 IKEE C=C(Cl)C[C@H](NCCC)c1cc(Br)cc(Br)c1OCC 2164215122 NWLVIOKYWAUJON-AWEZNQCLSA-N 425.592 5.794 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@H]2Nc1cc(Br)cnc1C#N 2167616030 HDWUPHNYNSFPFI-INIZCTEOSA-N 429.318 5.162 30 10 IKEE Cc1cc(Oc2ncc(I)cc2Br)c(C)c(C)c1C#N 2189901741 RETMOIBADROHST-UHFFFAOYSA-N 443.082 5.038 30 10 IKEE CC(C)(C)OC(=O)N1CCc2sccc2[C@@H]1CNc1cc(Br)cc(C#N)c1 2194006756 UZDCQRAPRIHBOK-KRWDZBQOSA-N 448.386 5.329 30 10 IKEE C=C(c1ccccc1)[C@@H](NCC)c1cc(Br)ccc1I 2197139628 LCBCSURONURTAH-QGZVFWFLSA-N 442.138 5.418 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1c(Cl)cc(Br)cc1Cl 2256189162 LFZAYBJWLJBASW-FQEVSTJZSA-N 443.212 6.570 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1c(NC(=O)OC(C)(C)C)cccc1OC 2256265015 LQTYUHLKRMRGFP-XMMPIXPASA-N 440.584 5.856 30 10 IKEE CCCN[C@H](CC#CC1CCCC1)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2261101843 XGUSFOYANYXZLB-SDUSCBPUSA-N 442.644 5.437 30 10 IKEE C=CCCC1([C@H](NC)c2ccc(F)cc2Br)CN(C(=O)OC(C)(C)C)C1 2266311359 ZCEIIAJVLOYXDI-QGZVFWFLSA-N 427.358 5.052 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NC)c1cc(Br)cc(C(C)(C)C)c1 2288667823 JWPZXVVNBZAGCE-RTBURBONSA-N 437.422 5.314 30 10 IKEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc([C@@H](N)C#Cc2ccc(Br)cc2)cc1 2296297112 VRWBFHDRDZYSGO-QRWLVFNGSA-N 429.358 5.086 30 10 IKEE CN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)cc2)SC1=Nc1nccs1 2314543069 UYYOEMLETZKOJY-UHFFFAOYSA-N 441.965 5.609 30 10 IKEE COc1ccc(C=CC(=O)Nc2sc(=S)c3c(c2C#N)CC[C@@H](C)C3)cc1OC 2314792794 FCXQOTWHSVVYRA-CYBMUJFWSA-N 426.563 5.143 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2321351079 HCOWLAKOCDKXMP-OALUTQOASA-N 445.535 5.249 30 10 IKEE Cc1ccccc1COc1ccccc1C=Nn1c(S)nnc1Cc1ccccc1F 2321981732 ZQUCLGKRIIRWKE-UHFFFAOYSA-N 432.524 5.066 30 10 IKEE CCCCCOc1ccc(C=Nn2c(S)nnc2Cc2ccc(Cl)cc2)cc1OC 2322035078 RZGJQNRUOKTDCW-UHFFFAOYSA-N 444.988 5.271 30 10 IKEE C[C@H](N1COc2ccc3c(c2C1)OC(=Cc1ccccc1)C3=O)C12CC3CC(CC(C3)C1)C2 2322261853 DIXPVDWMEWZZMX-CPLFSFDISA-N 441.571 6.060 30 10 IKEE Cc1ccccc1NC(=O)COc1ccccc1C=CC(=O)c1ccc2c(c1)CCCC2 2322328600 DYXYQVXYCLQYIZ-UHFFFAOYSA-N 425.528 5.787 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCc2ccccc2C)cc1C 2322415838 YNGJUBHRRWSBTD-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE COC(=O)c1ccc(COc2ccc3ccccc3c2C=CC(=O)c2ccc(F)c(F)c2)o1 2322781688 WQNNYFLFBYBPKW-UHFFFAOYSA-N 448.421 5.973 30 10 IKEE Cc1ccccc1COc1ccc2ccccc2c1C=CC(=O)c1cc(C(C)(C)C)ccc1C 2322953204 GWMZAAWFGKXFFT-UHFFFAOYSA-N 448.606 8.229 30 10 IKEE Cc1cccc(NC(=O)COc2cccc(C=CC(=O)c3ccc(Cl)c(Cl)c3)c2)c1 2323150663 BRSPVJIDDGODED-UHFFFAOYSA-N 440.326 6.215 30 10 IKEE O=C(C=Cc1ccc(F)c(Br)c1)C(=O)N(Cc1ccccc1)c1ccccc1 2323202365 LTVZARDNUGFSGL-UHFFFAOYSA-N 438.296 5.404 30 10 IKEE O=C(Cc1ccc(Cl)c(Cl)c1)Oc1ccc2c(c1)OC(=Cc1cccs1)C2=O 2323417063 FCLDZHXDTDIIQY-UHFFFAOYSA-N 431.296 5.819 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2OC)cc(OC)c1OCc1cccc(F)c1 2323718892 OCTCVTFGQUGLBJ-UHFFFAOYSA-N 432.491 6.047 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1Cl)Nc1nccs1 2323766295 YDHAIKRVJUPTNF-UHFFFAOYSA-N 433.316 5.364 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OCc1ccccc1F 2323959968 MIPQZUBMFAROCY-UHFFFAOYSA-N 430.519 6.655 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2cc(OC)ccc2OC)cc1 2324014945 UBPFPAMOKSCSJB-UHFFFAOYSA-N 445.515 5.180 30 10 IKEE COc1ccc(C=C2Oc3c(CN(C)C4CCCCC4)c(O)cc(C)c3C2=O)c(OC)c1 2324073526 GEZUPCGVVHZWLO-UHFFFAOYSA-N 437.536 5.099 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OCC)c(Br)c2)cc1 2324209640 CTNMOHAXQHHRPH-UHFFFAOYSA-N 445.397 7.093 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2ccc(OCc3cccc(Cl)c3)cc2)cc1Cl 2324588988 LSHGINVOIHKYRY-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE CCc1ccc(NC(=O)[C@H](CC)Oc2ccc3c(c2)OC(=Cc2ccccc2)C3=O)cc1 2324816716 PKIYBDCGRLUJHA-QHCPKHFHSA-N 427.500 5.661 30 10 IKEE CCCCCCOC(=O)COc1ccc2c(c1C)OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2325031423 XYJBNRTYRQHQOV-UHFFFAOYSA-N 439.464 5.022 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2)cc1 2325486001 WCANYARRUJXWPO-UHFFFAOYSA-N 440.616 6.341 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(C)c(C)c3)c2)c1 2325743939 WGSZNDJTCXAHGW-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc4nc(C)c(C)nc4c3)c2)cc1C 2325760521 VZFHWPBWXGYISI-UHFFFAOYSA-N 436.511 5.979 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1ccc(CC)cc1 2325909991 TYPWSZWJTNMLQS-UHFFFAOYSA-N 449.407 6.111 30 10 IKEE CCOc1cc(C=Nn2c(CCc3cccc4ccccc34)nnc2SCC)ccc1O 2326590107 BBPJVOUUXKHYHS-UHFFFAOYSA-N 446.576 5.315 30 10 IKEE CCCCCCCOc1ccccc1C=Nn1c(C)nnc1SCc1cccc(F)c1 2326728595 IIKZZRASRVDSCU-UHFFFAOYSA-N 440.588 6.249 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2N=Cc2cccc(OCC)c2)CC1 2328187046 LDAKKIYUHUAXOQ-UHFFFAOYSA-N 428.646 6.525 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1c(F)cccc1Cl 2329421933 LYFDVWIZIWSJHL-UHFFFAOYSA-N 428.964 5.829 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3C)n2N=Cc2cccnc2)cc1 2329465471 PHEKSTDONIQZPY-UHFFFAOYSA-N 427.577 5.250 30 10 IKEE Fc1ccc(CSc2nnc(Cc3cccs3)n2N=Cc2c[nH]c3ccccc23)cc1 2330335268 ORMPFHNVEWFHFH-UHFFFAOYSA-N 447.564 5.725 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccccc2)n1N=Cc1ccccc1Cl 2330458761 BXGAWOCDHXQYCP-UHFFFAOYSA-N 432.980 6.005 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(SCc2cccc(F)c2)nnc1-c1ccccc1 2330651725 NLXNFNRLKRIGLL-UHFFFAOYSA-N 446.551 6.046 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2-c2ccccc2)c1 2330684928 KUQIVHWLWSQPHD-UHFFFAOYSA-N 434.952 5.782 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(OC)c2)ccc1OC(=O)c1cccc(C)c1 2330731962 RBCAYVSBDSWTGM-UHFFFAOYSA-N 446.499 5.526 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(CC)cc3)cc2OCC)cc1 2330765195 XTJQYYVEXMENLW-UHFFFAOYSA-N 444.527 6.162 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccccc3Cl)cc2OC)c1 2330950754 CFUOMKLWTTXDEM-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)CCc1ccccc1 2331231716 SOHYMPRGBZSPKY-UHFFFAOYSA-N 428.528 6.136 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)CCCCCC 2331232627 JTXXYLMDRDLBSX-UHFFFAOYSA-N 434.576 6.812 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1cccnc1 2331251269 MEIQKTQDXPRIPV-UHFFFAOYSA-N 428.271 5.512 30 10 IKEE COCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccc(C(C)(C)C)cc1 2331282297 ARFSHQBVFLFBHU-UHFFFAOYSA-N 436.625 5.556 30 10 IKEE CC(C)COC(=O)CSc1nnc(C2CCC2)n1N=Cc1ccc(C(C)(C)C)cc1 2331541661 WLBPMUZNPBFQCN-UHFFFAOYSA-N 428.602 5.017 30 10 IKEE O=C(Cc1cccs1)Oc1ccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1 2331592123 PECNYLBTQWWGTO-UHFFFAOYSA-N 440.520 6.585 30 10 IKEE CCCSc1nnc(COC)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2331592654 NFVYQNGQZRSBKO-UHFFFAOYSA-N 430.961 5.041 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(COC)nnc2SCc2cccc(Cl)c2)cc1 2331597373 CUSBAOXRSIHHBQ-UHFFFAOYSA-N 444.004 5.099 30 10 IKEE CCCc1nnc(SCCc2ccccc2)n1N=Cc1ccc(OCC)c(OCC)c1 2331653521 UJXSPBIRQFGZLW-UHFFFAOYSA-N 438.597 5.245 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)c(C)c3)c(Cl)c2)c(C)c1 2331768473 HVJBCSGPDJQQLK-UHFFFAOYSA-N 446.974 6.926 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)cc3)c(Cl)c2)c(C)c1 2331768503 LYUHMEKIFYZZJH-UHFFFAOYSA-N 436.910 6.449 30 10 IKEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339589276 VGWIDWYBKFHLGO-LJQANCHMSA-N 446.397 5.044 30 10 IKEE N#Cc1c(Br)cccc1OCc1ccc(Cl)cc1I 2340088874 RTIIFYSXDOVRNF-UHFFFAOYSA-N 448.485 5.158 30 10 IKEE COc1ncc(Br)c(C)c1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2368191646 VJYHYPGVICLBRT-INIZCTEOSA-N 432.318 5.168 30 10 IKEE COCC/N=c1\scc(-c2ccc(Cl)s2)n1/N=C/c1c(O)ccc2ccccc12 12660926 IOMSIJCDWJCHMS-KRJGEVQMSA-N 443.981 5.220 30 10 IKEE CCOC(=O)c1ccc2c(c1)nc(SCc1ccccc1C#N)n2CCCOC(C)C 23334593 QWBZAVBBRLPAMP-UHFFFAOYSA-N 437.565 5.192 30 10 IKEE C=CCC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C1CC1 36346030 IJSJJTVOWIJOKW-QFIPXVFZSA-N 435.543 5.404 30 10 IKEE Cc1cc2c(cc1C)C(=O)/C(=C/c1cn(-c3ccccc3)nc1-c1cccc([N+](=O)[O-])c1)O2 39842699 CMOJIHPDYMODPW-OYKKKHCWSA-N 437.455 5.681 30 10 IKEE O=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(NC(=O)c2cccs2)cc1 39850878 DNLMJFXDDZBERV-ZRDIBKRKSA-N 444.468 6.065 30 10 IKEE O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(NC(=O)c2cccs2)cc1 39850882 SQMGXEUXDUTGPD-ACCUITESSA-N 444.468 6.065 30 10 IKEE C=CCc1ccccc1OCc1nc2ccccc2n1CCCCOc1ccccc1C 39907172 FOVSEZQVDVTNPC-UHFFFAOYSA-N 426.560 6.511 30 10 IKEE Cc1ccc(C(C)C)c(OCC(=O)Nc2sc(=S)c3c(c2C#N)CC[C@H](C)C3)c1 41014046 STKBCPMVSFVYHD-AWEZNQCLSA-N 426.607 5.923 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(CN4CCCCCC4)c(O)cc(C)c3C2=O)cc1 62957655 SPVXGAQVZSOOMK-ULJHMMPZSA-N 434.580 5.539 30 10 IKEE Cc1ccc(N/C(=N\C(=O)c2ccc(C)c(F)c2)NCCc2c[nH]c3ccccc23)cc1 66437772 NTEROUPCKCNLMQ-UHFFFAOYSA-N 428.511 5.364 30 10 IKEE CCCCCCCOc1cccc([C@@]2(C)Nc3ccccc3C(=O)N2Cc2ccccc2)c1 100140032 IAIMKTBWEMJKIL-LJAQVGFWSA-N 442.603 6.977 30 10 IKEE CCCCCCCCc1c(C)nn(C(=O)CCC(=O)Nc2ccc(OCC)cc2)c1C 100458804 YVXQHWKGLFTHND-UHFFFAOYSA-N 427.589 5.861 30 10 IKEE CCCCCCCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(F)cc1 101286289 ZKTBALKEUPJCNQ-XMMPIXPASA-N 435.543 6.368 30 10 IKEE CN1/C(=C2/S/C(=N/Cc3ccccc3)N(c3ccc(F)cc3)C2=O)Sc2ccccc21 102144175 RFEVNYPIKBENJP-LOIXAWJCSA-N 447.560 5.873 30 10 IKEE COc1ccc(N/C(=C\C(=O)/C(O)=C\C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1 104976017 CBGOOYIXKSWEGF-CPGHBSSUSA-N 433.891 5.696 30 10 IKEE C=CCN(Cc1ccccc1)C(=O)Cc1c(C)nn(-c2cccc(C(F)(F)F)c2)c1C 107789291 MAFDSNFISSCFDH-UHFFFAOYSA-N 427.470 5.265 30 10 IKEE CCCCCCCCCCOC[C@@H](O)CN(CCO)C(=O)CCCCCCCCC 138602001 FCYDPCFJNPIPDW-DEOSSOPVSA-N 429.686 5.466 30 10 IKEE CCCN1C(=S)N[C@@H](c2cccc(Br)c2)C(C(=O)c2ccccc2)=C1C 169928640 VDNZMKMGKCYNOQ-IBGZPJMESA-N 429.383 5.247 30 10 IKEE CCCCCOc1ccc([C@@H]2NC(=S)N(CCC)C(C)=C2C(=O)c2ccccc2)cc1 169928738 VSWQYDTZRFXOLC-DEOSSOPVSA-N 436.621 6.054 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2ccccn2)ccc1F 169994530 MYJZOVVCPGGVIO-OAQYLSRUSA-N 436.870 5.274 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccccc2F)c1 170070962 FFLOPQATAIOUAL-NRFANRHFSA-N 437.854 5.271 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2cccc(O)c2)c1 170082586 MXBZLVYFJQEJJO-JOCHJYFZSA-N 435.426 5.070 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccccc2C)c1 170086030 RXWJELGDNQSKHX-DEOSSOPVSA-N 438.483 5.268 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2sccc2C)cc1C 170106346 UXQHSFKLXLRAAF-QFIPXVFZSA-N 447.556 5.773 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2cccc(C)c2)cc1C 170141495 MDIRBAUYSZKWLR-DEOSSOPVSA-N 443.499 5.109 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)cc(Cl)c2OC)[C@H]1c1ccccc1 170232928 LKZYFHAYINCRST-LJQANCHMSA-N 448.346 5.771 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccccc2)cc1 170234319 BSPWCXADVUSJII-XMMPIXPASA-N 445.490 5.393 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2F)c1 170248110 SNTQQZQUZJOTCF-HSZRJFAPSA-N 449.453 5.535 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@H]1c1ccccc1F 170252778 LUWGSSREQGUZQM-OAQYLSRUSA-N 425.500 5.120 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@H]1c1cccc(O)c1 170263643 HKKMBDLJVBDISS-HXUWFJFHSA-N 443.927 5.131 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2ccc(C)o2)cc1 170305880 IAYXONJWDVSXLO-NRFANRHFSA-N 439.414 5.048 30 10 IKEE CC(C)Oc1cccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2CCc2ccc(F)cc2)c1 170475799 XLYAFUKYEDQRDI-QFIPXVFZSA-N 439.527 5.166 30 10 IKEE Cc1ccc2c(c1)S/C(=C1\C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)C1=O)S2 253622535 YMDSWPZYGHRYGY-MQCRAVFESA-N 438.702 8.016 30 10 IKEE Oc1ccc(N=C/C=C\c2ccc(Cl)cc2Cl)cc1-c1nc2ccccc2s1 254406659 FSCVJISZUKFERC-OHKTVLNTSA-N 425.340 7.391 30 10 IKEE COc1cc(OC)c(OC)cc1C=NNc1nc(C)nc2sc(-c3ccccc3)cc12 254478525 BIIOIMNEXQSASL-UHFFFAOYSA-N 434.521 5.139 30 10 IKEE CC(=NOCc1cccc(C)c1)c1cc(-c2ccc(F)cc2)n(-c2ccc(C)cc2)c1C 254554722 YLSRXAAFUYSOPU-UHFFFAOYSA-N 426.535 7.149 30 10 IKEE Cc1cc(C)c(NC(=S)NN=C2C(=O)N(Cc3ccccc3C)c3ccccc32)c(C)c1 254761305 ORJHYAIYUPDYDA-UHFFFAOYSA-N 442.588 5.158 30 10 IKEE CCCCN1C(=O)/C(=C2/Sc3ccccc3N2CC)SC1=Nc1cccc(O)c1 254905845 QOLWMZKVRGKFRI-BZMHFZIGSA-N 425.579 5.557 30 10 IKEE CC(C)COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccncc2)c1 526490101 ZJZFTAJQPSYXEW-DEOSSOPVSA-N 425.488 5.045 30 10 IKEE Cc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccc(OCC(C)C)c2)cc1 526491744 PUBXSSGSVQOEAC-AREMUKBSSA-N 438.527 5.959 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(OC)c(Cl)c2)cc1 526744180 QPTXSJOGTANTHT-HSZRJFAPSA-N 447.918 5.694 30 10 IKEE CCn1c(C)c(/C=N\n2cnnc2SCc2c(F)cccc2Cl)c2ccccc21 526817409 LLADHGFPVPZOAN-GATIEOLUSA-N 427.936 5.528 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1sccc1C 526824064 IIFHSEFGEXEBLP-JJFYIABZSA-N 439.437 6.472 30 10 IKEE CCc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2ccc(C(F)(F)F)cc2)cc1 586239765 KRXJFVYJQKNMJG-UHFFFAOYSA-N 444.478 5.535 30 10 IKEE CCOc1ccc(S(=O)(=O)N(CCCC#N)c2ccc(Oc3ccccc3)cc2)cc1 586253637 ITQHFFLZFWUWRT-UHFFFAOYSA-N 436.533 5.377 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)C1(C#N)CCC(C(F)(F)F)CC1 698457088 PLQOZKKLIURDIH-UHFFFAOYSA-N 447.295 6.205 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1cccc(Br)c1Cl 706513728 ZKXOUZOTOZLOMN-KRWDZBQOSA-N 435.749 6.417 30 10 IKEE C=CC[C@H](C)[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCCC 715791196 XOJXFEKWQNULQI-LADGPHEKSA-N 443.676 5.516 30 10 IKEE C=C1CCC(C[C@@H](N)C2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)CC1 724570282 QLRLUMUWZJWESL-HSZRJFAPSA-N 427.633 5.010 30 10 IKEE COc1cc(C=Nc2ccc(Cl)c(C(=O)O)c2)ccc1OCc1cccc(C(=O)O)c1 1083886634 SCFAXTCEHQJRIV-UHFFFAOYSA-N 439.851 5.075 30 10 IKEE C[C@@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@]43C)[C@H]1CCC2=NN=C/C=C\c1ccc([N+](=O)[O-])cc1 1084023708 PZDUXRAQOKZFJJ-HFMABYSGSA-N 447.623 7.468 30 10 IKEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CCCC1(C)C 1705482152 TXASPOVKJKCZRZ-JKSUJKDBSA-N 445.405 5.000 30 10 IKEE N#Cc1cccc(C(=O)NCc2ccc(OC(=O)Nc3ccccc3C(F)(F)F)cc2)c1 1858913218 WVQPUVUOXRYUKG-UHFFFAOYSA-N 439.393 5.118 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)c1c(Cl)ccc(Cl)c1Cl 1861144865 LPQQQCDHDFVMKL-QGZVFWFLSA-N 449.850 6.412 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCSC)NC(=O)c1cc2ccccc2n1C 1861393606 YLSGMWZITBTDFE-NRFANRHFSA-N 445.673 5.287 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)c1ccc2nc(C)c(C)nc2c1 1861400430 JARAGNKKBFDESR-AREMUKBSSA-N 440.632 5.402 30 10 IKEE C=CCNC(=O)[C@@H](CCCC)NC(=O)c1ccc2[nH]c(-c3ccc(C(C)(C)C)cc3)nc2c1 1861436201 BPCZLYOHJDAVCW-JOCHJYFZSA-N 446.595 5.118 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 1862393416 VRRZJMGMUHHQAZ-HSZRJFAPSA-N 448.519 5.458 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2Cl)cc1C 1862403508 XXCXTMREKYLCDH-JOCHJYFZSA-N 439.939 5.568 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2ccc(C)cc2)cc1 1862413956 ONVGFGXVCIZIQT-DEOSSOPVSA-N 447.481 5.614 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1c(F)cccc1Cl)c1ccccc1Cl 1862435318 SQQXVGURJYTDGD-IBGZPJMESA-N 446.261 5.504 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccccc1Br 1862439974 QVAQYMXAWZSLDR-SGTLLEGYSA-N 448.744 5.479 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(OCCC)cc1 1862461445 FTPXFBJPQDLPFY-OAQYLSRUSA-N 447.453 5.271 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862474163 LBGNWQZFNVULOR-CLOONOSVSA-N 425.528 5.897 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc(Cl)c1 1862477088 SAYFZDKKGYYKQW-GMAHTHKFSA-N 439.983 6.586 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2cccc(F)c2)c1 1862489051 NRIBRFNZOWGHGJ-QHCPKHFHSA-N 433.454 5.360 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cccc(F)c1 1862501659 HXQDXGYPUIOIJW-QHCPKHFHSA-N 441.518 6.212 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1cccc(C)c1 1862516104 YWGQRSDJCDARST-DEOSSOPVSA-N 435.564 5.942 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(Cl)cc1 1862527123 PGWMGZBQLYCZIS-XIKOKIGWSA-N 448.744 5.479 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccccc1F 1862530873 ZUHYKQVLXVXUOK-XMMPIXPASA-N 437.555 6.327 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccccc2C)cc1 1862532223 GETHTFVBBWKGQW-VWLOTQADSA-N 431.576 6.249 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc2cc[nH]c2c1 1862584395 XTKIKKHABLMPHJ-LJQANCHMSA-N 429.303 5.461 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(O)c(OC)c1 1862653695 UKHXTKLHIAXWEP-DEOSSOPVSA-N 445.515 5.323 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2Cl)cc1 1862660644 LOZFQWCADKMVHQ-JOCHJYFZSA-N 435.907 5.835 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(OC)cc1 1862674112 SPGRFNLTZWCKPK-REWPJTCUSA-N 439.527 5.772 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862678885 WLYZEEMTNAMOPL-QFIPXVFZSA-N 439.527 5.128 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3cccc(Cl)c3)C2=O)cc1C 1862874045 SXQVRBLPGNCMLQ-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(Nc2cccc(C#N)c2)=C(c2cccc3ccccc23)C1=O 1863225375 FFSUUIKKGMOWGQ-IBGZPJMESA-N 443.506 5.665 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(Nc2cccc(C#N)c2)=C(c2cccc3ccccc23)C1=O 1863225376 FFSUUIKKGMOWGQ-LJQANCHMSA-N 443.506 5.665 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCC(C)C)=C(c2ccccc2[N+](=O)[O-])C1=O 1863594002 XIBPGXWIPMBWSW-UHFFFAOYSA-N 429.561 5.061 30 10 IKEE COc1ccc(N(C)c2cc(Nc3cccc(C#N)c3)nc(-c3ccccc3)n2)cc1OC 1868354515 FEBXZJILZUXTGY-UHFFFAOYSA-N 437.503 5.544 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N2C[C@H](C)O[C@@H](C)C2)nn1-c1ccc(Cl)cc1 1869951254 TZZJBURYQJQMJB-ROUUACIJSA-N 448.011 5.223 30 10 IKEE CCCCCCCCNC(=O)c1cn(-c2ccc(Cl)c(C(F)(F)F)c2)c(=O)cc1O 1870128178 IKATULDHTLEPIV-UHFFFAOYSA-N 444.881 5.306 30 10 IKEE N#Cc1nnn(-c2ccc(Cl)c(Cl)c2)c1NC(=O)c1ccc(Cl)cc1Cl 1870148082 UVOPIPLLEVGNPT-UHFFFAOYSA-N 427.078 5.005 30 10 IKEE C=CCOc1cn(C[C@@H](O)c2ccc(Cl)cc2)c(CNc2ccc(C)cc2C)cc1=O 1870812267 AJMVEYOZDMYKCZ-XMMPIXPASA-N 438.955 5.029 30 10 IKEE CCCCCCCOc1cn(C[C@H]2CCCO2)c(CNc2ccc(C)c(F)c2)cc1=O 1870833423 IFNOIOOSBJIDQR-JOCHJYFZSA-N 430.564 5.436 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2)Oc2c1ccc1c2CN(CCCCc2ccccc2)CO1 1871354184 JKIUFZKBFYCPBX-XYGWBWBKSA-N 445.946 6.131 30 10 IKEE C[C@H](c1ccc2c(c1)CCCC2)N1COc2ccc3c(c2C1)O/C(=C\c1cccs1)C3=O 1871354274 MBQIGJJRWPUBSG-YMKHCOABSA-N 443.568 6.156 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccccc1Cl)C3=O)CN(CCC1=CCCCC1)CO2 1871354889 GSKNVXMEKKROIY-UCQKPKSFSA-N 435.951 6.307 30 10 IKEE Cc1ccc(CCC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)cc1 1871367526 PMMWBVDAMABEKC-UCQKPKSFSA-N 443.455 5.366 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O 1871368260 BZOZWPLVWWFGJG-XKZIYDEJSA-N 439.294 6.148 30 10 IKEE Cc1cc(OC(=O)CCc2cccs2)cc2c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O2 1871391893 KEEJMOONYYAESF-HAHDFKILSA-N 446.568 6.508 30 10 IKEE Cc1cc(O)c(CN2CCCC[C@@H]2CCO)c2c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O2 1871395878 AAXMMXPSUZKZAX-SSHUPFPWSA-N 449.591 5.351 30 10 IKEE Cc1c(OCCOc2ccccc2)ccc2c1O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 1871397499 UKJAKELUUKWHLK-HMAPJEAMSA-N 441.310 6.376 30 10 IKEE Cc1cccc(OCCCCOc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)c1 1871404999 KNTHHHPECNQIOD-XYGWBWBKSA-N 434.919 6.503 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4cccc(Cl)c4C)ccc3C2=O)c1 1871408462 VUNXVURWQLMKMI-ZKDCOOFMSA-N 447.918 5.979 30 10 IKEE CCc1ccc(OCCCOc2ccc3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1 1871413124 UJACJKQYKQTHIJ-XYGWBWBKSA-N 445.471 5.621 30 10 IKEE COc1ccc(OCCOc2cc(C)c3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1 1871414719 LODUVHZYYBGJEP-QQXSKIMKSA-N 444.527 6.201 30 10 IKEE CCc1ccc(NC(=O)[C@H](CC)Oc2ccc3c(c2C)O/C(=C\c2ccccc2)C3=O)cc1 1871425713 NJEQJCIEQLCECJ-XQGNUGGCSA-N 441.527 5.970 30 10 IKEE CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2sccc2C)C3=O)c1 1871426514 QXMMXVCRTOLXGX-GLFIFPSUSA-N 447.512 5.281 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)c1 1871454410 ORDYYSOXBORPPQ-QFEZKATASA-N 442.515 5.003 30 10 IKEE CCCCCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3cccc(OC)c3)cs2)cc1 1872762553 PYVHDLPMLODTIL-QFIPXVFZSA-N 434.561 6.268 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(Br)c3)n2)cc1 1872770030 HHJLEOPVSZBXMC-GOSISDBHSA-N 441.350 5.851 30 10 IKEE CCCCCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc1 1872779668 OPAKDJORAJEMEN-LJQANCHMSA-N 440.515 6.537 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@H](C#N)C(=O)c2c(F)cccc2Cl)n1 1872786214 DXHBRDZSNFUFRB-GFCCVEGCSA-N 435.307 6.063 30 10 IKEE CCOC(=O)Oc1ccc(C(=O)[C@H](C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc1 1872786732 QXPJQFGIJBZVIW-IBGZPJMESA-N 434.517 5.761 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCc2ccccc2)=C(c2ccccc2)C1=O 1873163052 UAQPWXIKLWFGNH-UHFFFAOYSA-N 446.635 6.130 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2C(C)(C)C)=C(c2ccccc2)C1=O 1873414260 ZDRWACIKVMVGJV-UHFFFAOYSA-N 432.608 6.537 30 10 IKEE N#Cc1nc(-c2cccs2)oc1N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 1873461934 FOVCRCNXVLAHEP-DHRITJCHSA-N 434.908 5.953 30 10 IKEE Cc1ccc(C)c(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccccn2)c1C 1874254774 BAAZYQBOTKPJBR-JFLMPSFJSA-N 443.576 5.352 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OCC)cc2)n1/N=C/c1cccc(Cl)c1 1874303676 MJXSRMADMUXXKR-ZVHZXABRSA-N 426.973 5.471 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccc(C)c(C)c3)n2/N=C/c2ccccn2)c1 1874331158 XTLJQSFTTNMUFS-OGLMXYFKSA-N 441.604 5.558 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(F)c3)n2/N=C/c2cccs2)cc1C 1874356974 JWMSMZNPLNPCCL-AFUMVMLFSA-N 436.581 5.861 30 10 IKEE CCSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1cccc(Br)c1 1874358035 LGFVELWPBCWLSM-LPYMAVHISA-N 429.387 5.242 30 10 IKEE COc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccccc2F)cc1 1874408255 NMMDVGQYUAMVLR-WGOQTCKBSA-N 438.572 5.723 30 10 IKEE CCCOc1ccccc1/C=N/n1c(Cc2ccccc2)nnc1SCc1ccccc1 1874416734 FWICPDVWJPJFBS-ZXVVBBHZSA-N 442.588 5.832 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3ccccc3C)nnc2-c2cccs2)cc1 1874420991 OQZCEMAPMDVFKB-PCLIKHOPSA-N 448.617 6.278 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)(C)C)n2/N=C/c2ccccc2[N+](=O)[O-])c1 1874438836 WIKFUVBGFDOQCB-ZVHZXABRSA-N 437.569 5.566 30 10 IKEE CCSc1nnc([C@H]2CCCO2)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874444801 LHYQTNUFPKALDW-LSCMLXDISA-N 442.972 5.356 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2cccc(C)c2)nnc1[C@@H]1CCCO1 1874448113 UCJMRMIYNZOZEQ-LWROZRRASA-N 434.565 5.177 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2[C@@H]2CCCO2)cc1 1874450861 LNWPAYBHAFSAKL-OGBFJMLUSA-N 447.391 5.919 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCCc3ccccc3)nnc2-c2ccco2)c1 1874467175 VNJCIBKWHVVTJO-XIEYBQDHSA-N 432.549 5.544 30 10 IKEE CC(C)(C)c1nnc(SCc2ccccc2F)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874481543 AVUYCCFMIJWDLR-FOKLQQMPSA-N 447.923 5.451 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C(C)(C)C)c1 1874484529 ADRKHINGUWPNIJ-BHGWPJFGSA-N 449.407 6.071 30 10 IKEE C=C(C)CSc1nnc(C2CCC2)n1/N=C/c1ccc(N(CC)Cc2ccccc2)cc1 1874495581 SZWFZAFEOILLDB-WPWMEQJKSA-N 445.636 6.123 30 10 IKEE CCCSc1nnc(C(C)C)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874514674 FZLVQKJSQJQKGA-ZVHZXABRSA-N 428.989 6.018 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/n2c(S)nnc2C(C)(C)C)c(Cl)c1 1874559440 RUHRLPKCGCHANX-LFVJCYFKSA-N 437.053 6.529 30 10 IKEE Cc1ccccc1COc1ccccc1/C=N/n1c(S)nnc1[C@@H](C)c1ccccc1 1874561325 MUYIPPKEOXLJCA-JHKMYFMNSA-N 428.561 5.488 30 10 IKEE O=C(/C=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1ccc2c(c1)CCCC2 1874571776 GBHQMFABUIWDKQ-WYMLVPIESA-N 437.366 7.347 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)NC2CCCCC2)c1 1874572558 UGKNFWDXQKPCIM-ZRDIBKRKSA-N 427.928 5.072 30 10 IKEE COC(=O)c1ccc(COc2ccc(Cl)cc2/C=C/C(=O)c2ccccc2Cl)o1 1874575122 WWSSDDPDPBYPHH-RMKNXTFCSA-N 431.271 5.848 30 10 IKEE COc1ccccc1C(=O)/C=C/c1c(OCc2ccccc2Cl)ccc2ccccc12 1874577094 WCUWXLGHRFMZKL-FOCLMDBBSA-N 428.915 6.977 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OCc1ccc(Cl)c(Cl)c1 1874594356 FTUWGIRONIDTED-DHZHZOJOSA-N 443.326 6.486 30 10 IKEE C[C@H](NC(=O)COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1)c1ccccc1 1874603987 PASLJNZLZHWKPR-DOIQENQNSA-N 439.555 5.718 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Cl)c(OCc3cccc(C)c3)c(OC)c2)cc1 1874606557 UZJMROOTUQUVOK-NTCAYCPXSA-N 448.990 7.475 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Br)c2)cc(Cl)c1OCCCO 1874609842 NFMLUPBDWGQKBL-BQYQJAHWSA-N 439.733 5.159 30 10 IKEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2[N+](=O)[O-])o1 1874618274 RYQJPERIZOOQER-RMKNXTFCSA-N 435.432 5.066 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OCc1cccc(Cl)c1 1874625018 IHCZGUSXWDAQRL-IZZDOVSWSA-N 445.317 7.006 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1cccc(/C=C/C(=O)c2ccccc2Cl)c1 1874696984 QHMOEQHAJGNHDQ-FOCLMDBBSA-N 426.899 6.537 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2)cc1OC(=O)[C@@H](C)Oc1ccc(Cl)cc1 1874700739 JYRSDKHAUIZDTE-LEHPZIBWSA-N 436.891 5.618 30 10 IKEE Cc1cc(C(=O)/C=C/c2cccc(OC(=O)COc3ccc(Cl)c(C)c3)c2)ccc1F 1874703755 GDIAGDCDKVVMLA-IZZDOVSWSA-N 438.882 5.976 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(F)cc3F)c2)cc1F 1874707158 RDMDIBXGYDXPSH-FPYGCLRLSA-N 442.389 5.236 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(F)cc3)c2)cc1Cl 1874715731 JMZLSNXVNMQXNB-BJMVGYQFSA-N 445.273 6.256 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc1OC(=O)Cc1ccccc1 1874717951 HCNVNVVLJJUGCQ-DHZHZOJOSA-N 436.891 5.401 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)cc1 1875088603 XAQLBFWJUMNAAH-XYOKQWHBSA-N 435.863 5.926 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(F)c3)c([N+](=O)[O-])c2)cc1 1875106211 HWTBOCKMKDMEQY-GXDHUFHOSA-N 447.462 6.192 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc4cc(Cl)ccc4n3)cc2)cc1 1875112270 ANOZTXBGYKLJFO-SYZQJQIISA-N 443.886 6.012 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)ccc1OC(=O)CCCSC 1875151882 HBHNDXPLEWJSBW-JXMROGBWSA-N 432.513 5.178 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCSC)c(Cl)c2)c(OC)c1 1875178251 AVWJZITTXXULGM-UXBLZVDNSA-N 434.941 5.302 30 10 IKEE N#Cc1ccc(OCc2ccc(Br)cc2Br)c(Br)c1 1889067399 SKYSVZLEQVPJKJ-UHFFFAOYSA-N 445.936 5.425 30 10 IKEE N#CC1(c2ccccc2)CCN(C(=O)c2ncoc2-c2cc(Cl)ccc2Cl)CC1 1891402690 AAKONMIPPQHMAI-UHFFFAOYSA-N 426.303 5.346 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)[C@H]2C[C@H]21 1907794199 STFYQZQZBKODPO-XLNZFTOWSA-N 433.593 5.238 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CN(C(=O)OC(C)(C)C)CC12CCC2 1922086498 QSOUHIBBDUWORM-PKTZIBPZSA-N 428.617 5.165 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H]1CC[C@@H]2CCCC[C@H]2N1C(=O)OC(C)(C)C 1922114820 BPDWAEIYZSTBTK-NDBXHCKUSA-N 442.644 5.696 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1cscc1Cl 1942308735 CXIDMJSWDWNYMM-OAHLLOKOSA-N 427.751 6.170 30 10 IKEE CCCCCCC[C@@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 1947479842 UCAIPTVMTWXQPZ-BJKOFHAPSA-N 434.665 6.215 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1csc(Cl)c1 1948775861 BBYAOJOKJHNKKI-CQSZACIVSA-N 427.751 6.170 30 10 IKEE CC(C)(C)OC(=O)NC1CC2(C1)CC(C#N)(N(C(=O)OC(C)(C)C)c1cccc(F)c1)C2 2056504888 WOXQSHQNAUYBRI-UHFFFAOYSA-N 445.535 5.297 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C12CCC2 2057186416 XHSVJEAJFUHOLI-DEOSSOPVSA-N 445.535 5.393 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CN(C(=O)OC(C)(C)C)[C@@H]2C(C)(C)C)c1 2076160912 CCNXHXSATOXFGD-CLOONOSVSA-N 443.588 5.664 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@]2(C)CCCN2C(=O)OC(C)(C)C)c1 2076984823 SDTPISOJQYWJIR-YADARESESA-N 445.560 5.118 30 10 IKEE CCc1ccc([C@H](CC)n2nc(C3CCC3)c(/C=N/O)c2I)cc1 2079089724 TUGAHZQUEVAOJB-RHLNUJDMSA-N 437.325 5.125 30 10 IKEE Cc1cc(C)c([C@H](C2CCC2)n2nc(C(F)F)c(C=NO)c2Br)c(C)c1 2079873530 QENZFQFDQOUBSA-KRWDZBQOSA-N 426.305 5.706 30 10 IKEE CCN[C@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)C1CCCCC1 2086665160 LYEZSDOYWAKDND-MUUNZHRXSA-N 432.656 5.073 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)c(C)c(Br)c1)NC 2111264379 MKWYTGUBXPIRCK-ROUUACIJSA-N 445.829 5.401 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)C1(C#N)C[C@@H]2CCC[C@H](C1)S2 2129831091 AMQWOEMMATURHL-XEWABKELSA-N 437.403 5.901 30 10 IKEE COc1ccc(Nc2cc(Br)c(C#N)cc2F)cc1NC(=O)OC(C)(C)C 2162349934 FDIGKLBGRJINLU-UHFFFAOYSA-N 436.281 5.559 30 10 IKEE Cc1cc(F)c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)c(Br)c1 2173406331 ZMRDMWXFUDCKBM-QGZVFWFLSA-N 437.284 6.042 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)NC2(C#N)CCCCCC2)c1 2181043692 CFJZUFHTQNLUTD-UHFFFAOYSA-N 436.350 5.142 30 10 IKEE C[C@H]1Cc2ccccc2[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2185486210 OUFIGEBYHASXIZ-NYHFZMIOSA-N 427.342 5.802 30 10 IKEE C#CC[C@@H](C[C@@H](NCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1)C1CC1 2196852351 AOSFBILPMLJYPS-OXJNMPFZSA-N 435.406 5.886 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(F)c(Br)cc1F 2198195569 KNSKWERAHHWIFC-QZTJIDSGSA-N 445.348 5.075 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(C)c(Br)c(C)c1 2227359906 NCXLMDYHVZOLGH-IEBWSBKVSA-N 425.411 5.576 30 10 IKEE C=C(Cl)C[C@H](NCCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229125226 CHJXAFRNYKTANO-ROUUACIJSA-N 445.829 5.396 30 10 IKEE CCOc1ncc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)s1 2231288166 ALKXKQVQPLVKDL-CQSZACIVSA-N 438.347 5.311 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Cl)cc(Cl)c1Cl 2235580620 FWWZVNGRRIPYHW-FUHWJXTLSA-N 433.807 5.994 30 10 IKEE CC#CCC[C@H](NCCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237421128 BEVKBAUDSVSQCL-PMACEKPBSA-N 437.422 5.057 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2cc(Br)ccc2C#N)C[C@@H]2CCCC[C@@H]21 2240973471 SRXABXMZSBXTJK-FNHZYXHNSA-N 434.378 5.301 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cccc(Cl)c1Br 2259397666 ZYRXBJXFWKVNPN-WBVHZDCISA-N 431.802 5.613 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCC)c2sc(Br)c(C)c2C)C1 2265892460 SWFYTQOREISEJZ-MRXNPFEDSA-N 443.451 5.639 30 10 IKEE C=CCCC1([C@@H](O)Cc2cccc(Br)c2Cl)CN(C(=O)OC(C)(C)C)C1 2266310746 SIDZZSAOFULQNV-INIZCTEOSA-N 444.797 5.209 30 10 IKEE C=CC[C@@]1(COc2cc(Br)ccc2N)CCCN(C(=O)OC(C)(C)C)C1 2272237857 FFHKZYLOVHJDNJ-HXUWFJFHSA-N 425.367 5.004 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(F)cc(Br)c1F 2272726453 OHOBCOGTZGHMRS-NVXWUHKLSA-N 433.337 5.237 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(Nc3c(Br)cccc3C#N)CCCCC[C@H]12 2285171768 QKWCKRAJQZDKHT-LAUBAEHRSA-N 434.378 5.445 30 10 IKEE C=CC[C@]1(COc2ccc([N+](=O)[O-])c(Br)c2)CCCN1C(=O)OC(C)(C)C 2287854374 JHUINNCHWGIAMD-LJQANCHMSA-N 441.322 5.082 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)cc(C(C)(C)C)c1 2288652743 QKUWAVHAVYDJPX-OALUTQOASA-N 439.438 5.867 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C=CC(=O)c2cccc(OCc3ccccc3)c2)cc1 2314503876 WVQDAQWAWUYMHB-UHFFFAOYSA-N 429.516 6.509 30 10 IKEE C=CCC1([C@H](N)c2cc(Cl)cc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2315457840 GWAAUHKMVWXVMV-OAHLLOKOSA-N 433.749 5.055 30 10 IKEE CC(C)[C@H]1C[C@@](C#N)(Nc2ccc(Br)cc2)CN1C(=O)OCc1ccccc1 2321365047 LUSVKFONQPTDDR-IRLDBZIGSA-N 442.357 5.190 30 10 IKEE CN(C)c1ccc(C=C2Oc3c(ccc4c3CN(Cc3ccccc3Cl)CO4)C2=O)cc1 2321958325 QGXXJEJZPNICNG-UHFFFAOYSA-N 446.934 5.374 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O3)CN(Cc1ccco1)CO2 2321962454 CMKJFDZXWSCPCK-UHFFFAOYSA-N 429.516 5.854 30 10 IKEE COc1ccccc1CCc1nnc(S)n1N=Cc1cccc(Oc2ccccc2)c1 2322070962 ZEILARKYWVXQCP-UHFFFAOYSA-N 430.533 5.035 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(C(C)C)cc1)O3)CN(C1CCCCCC1)CO2 2322079826 XVFODKIGWVHNRG-UHFFFAOYSA-N 431.576 6.609 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc4c(c1)OCO4)O3)CN([C@@H]1CCCC[C@@H]1C)CO2 2322153114 HBCCYXDBAPIPAX-HNAYVOBHSA-N 433.504 5.071 30 10 IKEE CCc1ccc(OCCCc2nnc(S)n2N=Cc2ccc(Cl)c(Cl)c2)cc1 2322217857 BXGFQTIONFAETM-UHFFFAOYSA-N 435.380 5.330 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc4c3CN(C[C@H](O)c3ccc(Cl)cc3)CO4)C2=O)cc1 2322234260 HDTLZRJXVAXKKV-QFIPXVFZSA-N 447.918 5.150 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCc3cccc(F)c3)ccc3ccccc23)c(OC)c1 2322904412 HMAXDHPDBLBQKU-UHFFFAOYSA-N 442.486 6.471 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1OCc1cc(C)ccc1C 2323149407 UGSAVNGONTYWKT-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCc3c(F)cccc3Cl)c2)cc1Cl 2323310700 ZDWQAHQDWQOSTC-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1OCc1cccc(Cl)c1 2323323496 JCAWWEGSYNZJCB-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE Cc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2sccc2C)C3=O)cc1[N+](=O)[O-] 2323336037 YQMNRSZEQONCBB-UHFFFAOYSA-N 435.457 5.417 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3cccc(Cl)c3)c(OC)c2)cc1OC 2323460649 RASPAEZXAQDJAX-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccccc1F 2323675551 YAOAYIZGNPWCKS-UHFFFAOYSA-N 437.423 5.226 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OCc2c(F)cccc2Cl)c(Cl)c1 2323992374 WKBKVJHKKXCZCQ-UHFFFAOYSA-N 445.317 6.925 30 10 IKEE Cc1c(OCCc2ccccc2)ccc2c1OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2324281560 WGDNKMYOCZBQFK-UHFFFAOYSA-N 432.519 6.900 30 10 IKEE N#C[C@@H](C(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc3ccccc3c2)cs1 2324354094 WNMACPZGGPGLQC-NRFANRHFSA-N 425.469 5.761 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OCc3ccccc3Cl)cc2)c1 2324383304 FXUYEYZEFVRXLK-UHFFFAOYSA-N 436.935 6.613 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCc3cccc4ccccc34)c(Cl)c2)cc1C 2324447338 PWCZIJZSXNXVFL-UHFFFAOYSA-N 426.943 7.585 30 10 IKEE Cc1cc(OCCOc2cccc3ccccc23)cc2c1C(=O)C(=Cc1cccc(F)c1)O2 2324693841 JSQAZKMEEFECCP-UHFFFAOYSA-N 440.470 6.361 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(F)cc3)n2)c(OCC)c1 2324765410 XXPZCGKBYDZKSV-FQEVSTJZSA-N 436.508 5.636 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4c(C)cccc4C(C)C)ccc3C2=O)cc1 2324989875 LXQIAIIGADNNNQ-UHFFFAOYSA-N 441.527 6.061 30 10 IKEE Clc1ccc(CSc2nnc(CCc3ccccc3)n2N=Cc2cccnc2)cc1 2325461761 WMBVWZUKPUZGDF-UHFFFAOYSA-N 433.968 5.286 30 10 IKEE CC(C)c1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 2325471355 JPFKUJKJKXPTHE-UHFFFAOYSA-N 444.579 6.306 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1OC(=O)c1ccccc1C 2325736837 POGLIPYVQKDHCU-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE COc1cccc(C=C2Oc3cc(OCC(=O)Nc4cccc(C)c4C)cc(C)c3C2=O)c1 2325737989 CLXSXSGSTZCHIM-UHFFFAOYSA-N 443.499 5.254 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OC(=O)Cc1ccc(C)c(C)c1 2325741001 USITYLSCOBEMGY-UHFFFAOYSA-N 432.491 5.804 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OC(=O)[C@@H](C)c1ccccc1 2325750419 UEJHWRWDNLGNTN-FQEVSTJZSA-N 428.528 6.424 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cccc(OC(=O)c2ccccc2Cl)c1 2325763377 PAYGPCRTGKIRPA-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1OC(=O)c1ccc(F)cc1 2325771604 QOOUBDVQBKAZOC-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE CCCOc1ccc(C=Nn2c(CCC)nnc2SCc2ccc(C)cc2)cc1OC 2326305258 SDPUSHNTFVEJKP-UHFFFAOYSA-N 438.597 5.511 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(OC(C)C)cc1 2326358094 KWAUJXRXGHUAFX-UHFFFAOYSA-N 428.989 5.846 30 10 IKEE Clc1ccc(OCc2nnc(SCCc3ccccc3)n2N=Cc2ccncc2)cc1 2327559793 RCHZLFDPLYPSEL-UHFFFAOYSA-N 449.967 5.123 30 10 IKEE CCCCC1CCC(c2nnc(SCC(=O)OC)n2N=Cc2sccc2C)CC1 2328179546 ZMPMTPBDRMDVML-UHFFFAOYSA-N 434.631 5.259 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccccc3Cl)n2N=Cc2cccnc2)c1 2329576814 HVBXYHMWDWPGAO-UHFFFAOYSA-N 433.968 5.785 30 10 IKEE CCCOC(=O)CSc1nnc(-c2ccccc2Cl)n1N=Cc1cccc(Cl)c1 2329622817 VOMRLBDCLLRUCQ-UHFFFAOYSA-N 449.363 5.179 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(CCc2cccs2)n1N=Cc1ccc[nH]1 2329698860 VXYSYNHJJRNMFF-UHFFFAOYSA-N 445.976 5.420 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccc(F)cc2)n1N=Cc1cccc(F)c1 2329803698 OCEWMFXKFHEGFQ-UHFFFAOYSA-N 434.515 5.630 30 10 IKEE COc1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2-c2cccs2)cc1O 2330559932 AJRHEFWXNMKPPB-UHFFFAOYSA-N 440.525 5.034 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1Cl 2330663336 XWBJJSBGWHJKPB-UHFFFAOYSA-N 440.926 6.928 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(SCc2ccc(F)cc2)nnc1[C@H]1CCCO1 2330910331 NBVVPIFTJNTOEK-OAQYLSRUSA-N 440.544 5.230 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C2CCCC2)c(Cl)c1)c1cccc(Br)c1 2331002464 UJMHTKPGFULGHU-UHFFFAOYSA-N 433.729 6.094 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CCCC2)cc1O 2331087211 FHJFWYLWSBPPCS-UHFFFAOYSA-N 442.972 5.478 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OC(=O)Cc1ccc(C)cc1 2331129944 KLXSIXWHCZWOEG-UHFFFAOYSA-N 434.919 6.091 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)c1cccc(C)c1 2331214845 QCTOXYRQJWSRGR-UHFFFAOYSA-N 434.919 6.389 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(Cl)cc3)c(Cl)c2)c(C)c1 2331219173 TUAZLHYDTWQFET-UHFFFAOYSA-N 439.338 6.654 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2c(F)cccc2Cl)c(Cl)c1)c1ccc(F)cc1 2331522864 KOMLANPLWAYVJU-UHFFFAOYSA-N 433.237 6.387 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CCC2)cc1O 2331539273 HAMWCPDSHOFUFM-UHFFFAOYSA-N 428.945 5.088 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3)cc2)cc1 2331541599 LDGGINVISYHFPW-UHFFFAOYSA-N 442.555 7.151 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(F)c3)cc2Cl)cc1 2331556972 HJIRBKNPFIGCFT-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)c1cccc(C)c1 2331630072 FGQYWHARNHJJFY-UHFFFAOYSA-N 444.527 6.134 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc(Cl)c1OC(=O)CC(C)(C)C 2331659250 VTPREROYOFVNRS-UHFFFAOYSA-N 444.955 6.212 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C(C)C)cc1 2331689817 GWXFYJOZQNQNLR-UHFFFAOYSA-N 439.541 5.273 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2)cc1OC 2331704331 AUYMXICRPKPHQY-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)[C@H](C)c1ccccc1 2331780286 UZFSBZFMYDSYLG-OAQYLSRUSA-N 428.528 6.226 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)c2cnccn2)c([N+](=O)[O-])c1 2331794867 AVBKNSCTWBSDHG-UHFFFAOYSA-N 445.475 5.106 30 10 IKEE CN(c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CN(Cc2ccccc2)C(C)(C)C1 2365107476 UCMAGSDMYJJCRO-QHCPKHFHSA-N 447.432 5.216 30 10 IKEE N#Cc1c(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)sc2c1CCCCCCCCCC2 2760368 QTYOCMLEDXPFCH-UHFFFAOYSA-N 435.937 5.376 30 10 IKEE CC1=C(C(=O)OC2CCCCC2)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(CC(C)(C)CC2=O)N1 3100781 BLERJTVSKPHGNG-QFIPXVFZSA-N 438.524 5.075 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 5924032 XHYOHAAIBFVLTH-HSZRJFAPSA-N 445.515 5.759 30 10 IKEE C=C1CC[C@H](O)C(C)(C)[C@@H]1CC/C(C)=C/CCC1=C(C)CC[C@@]2(C)CCC(C)(C)C[C@@H]12 13307295 OPDQSNQDIGJUIR-FEHKDBFISA-N 426.729 8.789 30 10 IKEE in-vitro O=C1/C(=C\c2ccc(Br)s2)CCC/C1=C/c1ccc(Br)s1 20115365 TVEAESGOBIRZPF-WGEIWTTOSA-N 444.213 6.555 30 10 IKEE O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1ccc(O)c([N+](=O)[O-])c1)Nc1ccccc1N2 21238785 YFIUNLUYPHKXAU-LFVRLGFBSA-N 433.489 5.341 30 10 IKEE O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@@H](c1ccc3ccccc3c1)Nc1ccccc1N2 21248303 QWOPBSRALSXGNI-PZGXJGMVSA-N 434.514 6.958 30 10 IKEE CC(C)[C@H](C(=O)O[C@H](C#N)c1cccc(Oc2ccc(O)cc2)c1)c1ccc(Cl)cc1 31516184 DHTRRTYYQFWHPE-RPWUZVMVSA-N 435.907 6.386 30 10 IKEE O=C1/C(=C/c2cccc(Cl)c2Cl)Oc2cc(OCc3cccc(Cl)c3)ccc21 33513949 YLKDMMDNENNAJH-JMIUGGIZSA-N 431.702 6.842 30 10 IKEE CCc1ccc(NC(=O)c2oc3c(c2C)/C(=N/Nc2ccc([N+](=O)[O-])cc2)CCC3)cc1 40814706 FTKJHOYCFRFRPX-NHFJDJAPSA-N 432.480 5.463 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1ccc2c(c1C)O/C(=C\c1ccccc1C)C2=O 41289931 MZKOJDDTULJZQT-HMAPJEAMSA-N 430.456 5.156 30 10 IKEE Cc1c(OCC(=O)OCc2ccccc2)ccc2c1O/C(=C\C=C\c1ccccc1)C2=O 41432551 WXEIRYNWEJHRTH-CSNXJAGESA-N 426.468 5.290 30 10 IKEE COc1cc(C)ccc1C(=O)/C=C\c1csc(N(C(C)=O)c2cccc(Cl)c2)n1 98002054 LSVATVNKVQALDL-NTMALXAHSA-N 426.925 5.694 30 10 IKEE O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1cccc(Cl)c1Cl)c1c(O)n[nH]c1N2 98036630 JLVGSBSCDDEIGY-BJOHPYRUSA-N 432.332 5.442 30 10 IKEE CCCCCCCCCCCCOc1ccc(I)c(C(=O)O)c1 103005547 DAYULLBGODQGEI-UHFFFAOYSA-N 432.342 6.289 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2cccc(OC)c2)c1 169930109 NWIOCAKANVWHKV-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(Oc3cc(C)cc(C)c3)cc2)NC(=S)N1C 169935278 QVWRLNAXOCFUBH-RUZDIDTESA-N 442.584 6.114 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccccc2OC)cc1 169943122 MTNRPYYZZFYBFG-VWLOTQADSA-N 441.527 5.657 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccc(F)cc2F)c1 169971276 SSUJIBNWTCZTQW-NRFANRHFSA-N 439.845 5.710 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2cccs2)cc1 169987751 PHBGITNNUYVEKO-FQEVSTJZSA-N 425.456 5.372 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccccn2)c(C)c1 169991686 GBTXKLSYKWDEKH-XMMPIXPASA-N 442.515 5.305 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccccn2)cc1 169998914 HFJVFTNHRSLUIZ-OAQYLSRUSA-N 441.512 5.037 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccccc2)ccc1F 170048909 QLEBNKLFVPLJPW-XMMPIXPASA-N 429.491 6.040 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccs1 170159959 ZYNKUTOWJKVBJY-NRFANRHFSA-N 431.469 5.286 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccs2)cc1C(C)C 170163831 YOCQLVOADMYBTO-QFIPXVFZSA-N 439.577 5.791 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccs2)cc1 170163894 JLTPWQIPVLZVJL-NRFANRHFSA-N 425.550 5.448 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2CCC)cc1 170215912 CTUYZRAALZPMEL-QHCPKHFHSA-N 432.520 5.335 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2ccccc2)c1 170223871 VYLOAYMHJNEEHD-DEOSSOPVSA-N 425.484 5.021 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1)c1ccc2c(c1)CCCO2 170238691 PWDBMQOYQXMQAK-HSZRJFAPSA-N 447.437 5.073 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(F)cc2)cc1C 170244251 UOJAYABIVYCZND-HSZRJFAPSA-N 437.511 5.444 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccc(O)c2)cc1C 170259692 IBPWMSWZNWLDRV-DEOSSOPVSA-N 443.499 5.109 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@@H]1c1ccc(CC)cc1 170268388 JZCKWVKDIRDTHU-DEOSSOPVSA-N 433.548 5.343 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(C)c(C)c4)[C@H]3c3ccco3)oc12 170285122 VHZRSAPGMPIMRS-QFIPXVFZSA-N 443.455 5.434 30 10 IKEE Cn1cc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)c2ccccc21 170395937 SOKCYJFQEBMCQH-QHCPKHFHSA-N 442.902 5.615 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cccc(OC)c2)c1 170409371 MPOZNMHYSFBPES-QFIPXVFZSA-N 449.528 5.328 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1ccc([N+](=O)[O-])cc1OC 170506180 VCJUANIJGKQNEP-UHFFFAOYSA-N 434.621 7.803 30 10 IKEE Cc1sc(NC(=O)CCn2c3ccccc3c3nc4ccccc4nc32)c(C#N)c1C 170582114 JJMWRFRZGQFGPB-UHFFFAOYSA-N 425.517 5.317 30 10 IKEE Cc1ccc(/C=C2/SC(=Nc3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)cc1 254312331 WYFIMJBZABAQJN-DFLSCLMCSA-N 437.568 6.323 30 10 IKEE CCOC(=O)c1ccc(NC(=O)c2c(N=Cc3cccnc3)sc3c2CCCCC3)cc1 254520216 AZXGPZNTHBRUJB-UHFFFAOYSA-N 447.560 5.592 30 10 IKEE Cc1ccc(OCCn2cc(C=N/N=c3/[nH]c4ccccc4s3)c3ccccc32)cc1C 254821283 XCPRMUFFFOGNGL-UHFFFAOYSA-N 440.572 5.815 30 10 IKEE CC1(C)CC[C@]2(C=O)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2C1 257545803 STHRNDDZYFUIDO-QFSZEMPUSA-N 440.712 7.348 30 10 IKEE endogenous,in-man CCCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1ccc(OC)cc1OC 526811764 RPGAZCAYCZLRDN-MYYYXRDXSA-N 438.597 5.429 30 10 IKEE CCOc1ccc(/C=N\n2cnnc2SCc2cccc3ccccc23)c(OCC)c1 526820203 MAQCDTZHBFNITJ-YSMPRRRNSA-N 432.549 5.403 30 10 IKEE CCCCCCCCCCCCC[C@H](OC)[C@@H](O)[C@@H](O)CCOC(=O)c1ccccc1 585667892 QYIXQJPTLUBFQX-SDHOMARFSA-N 436.633 5.671 30 10 IKEE Cc1cc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2cccs2)ccc1Br 586221523 WPRBONPFWKMXDV-UHFFFAOYSA-N 447.379 5.086 30 10 IKEE C=C(C)CN(c1ccc(CC(=O)O)cc1)S(=O)(=O)c1ccc(CCCCCC)cc1 586231036 JGAWFDSVXSQJPR-UHFFFAOYSA-N 429.582 5.208 30 10 IKEE COCc1cccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)c1 698443379 IWYIFQAERLYDFM-LJQANCHMSA-N 431.330 5.602 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCO[C@H](C(F)(F)F)C1 698456352 NFLKOKDNFWOUBR-YOEHRIQHSA-N 449.267 5.194 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCCCC12CCCC2 698483491 XFMGBRZMSFHNOM-JOCHJYFZSA-N 433.390 6.587 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CSCCC1(C)C 698490058 RFRACEZEPGXQGO-LJQANCHMSA-N 425.392 5.616 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)CC1 704033131 UJTDRWNSEMTWLY-DEOSSOPVSA-N 429.561 5.107 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCN(C(=O)OC(C)(C)C)CC2)c1 704041505 IBLKPCZQQWQRBF-XMMPIXPASA-N 429.561 5.420 30 10 IKEE CC[C@](C#N)(C1CN(C(=O)OC(C)(C)C)C1)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 716135773 QAXAGZYAHGQLPG-QHCPKHFHSA-N 449.979 5.621 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(C)ccc(Br)c1F 721195080 RXHACZXPOVIHMW-QAPCUYQASA-N 429.374 5.407 30 10 IKEE C=CCC1([C@@H](NCC)c2c(F)ccc(F)c2Br)CN(C(=O)OC(C)(C)C)C1 722928632 HISDVKXCICGKHH-KRWDZBQOSA-N 445.348 5.191 30 10 IKEE COC[C@]1(OC)CC[C@@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](c3ccc(C=NO)cc3)C[C@@]21C 888087318 GJMNAFGEUJBOCE-DEDGPGFPSA-N 449.591 5.426 30 10 IKEE CC(=O)O/N=C1/C=C2CC[C@@H]3[C@@H](CC[C@]4(C)[C@@H]3C[C@@H]3CCCC[C@@]34C(C)=O)[C@]2(C)CC1 1076146644 LQJAXDXIQDWPOB-JMFKOKRHSA-N 425.613 6.244 30 10 IKEE Cc1cccc(CSc2nc3ccc(N=Cc4c(Cl)cccc4Cl)cc3s2)c1 1083949060 DWVCDQGIPDKQNX-UHFFFAOYSA-N 443.424 7.954 30 10 IKEE CC(=NNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)c1ccc([N+](=O)[O-])cc1 1084270250 HJPXHSNWFPACKZ-UHFFFAOYSA-N 440.467 5.103 30 10 IKEE N#Cc1c(N=Cc2ccc(C=Nc3sc4c(c3C#N)CCC4)cc2)sc2c1CCC2 1084300539 VULOVOGPWXJXCA-UHFFFAOYSA-N 426.570 6.032 30 10 IKEE Cc1ccc(N=C2S[C@@H](C(=O)Nc3cc(Cl)cc(Cl)c3)CC(=O)N2C)cc1C 1084541755 VJQRYOYYMQTLHU-QGZVFWFLSA-N 436.364 5.200 30 10 IKEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CCC[C@H]1CC 1538983131 NZIBDNBIVMQWII-GVDBMIGSSA-N 445.405 5.000 30 10 IKEE CC(/C=N\N=C1/S/C(=C\c2ccccc2F)C(=O)N1Cc1ccco1)=C\c1ccccc1 1554646448 LUQPNGUDHMEXCB-OFSQMATGSA-N 445.519 5.981 30 10 IKEE CCCCCCOc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CS)cc1 1614621929 ZJXTYPBIMSMHIT-UPVQGACJSA-N 427.610 5.928 30 10 IKEE CCN1C(=O)/C(=C\c2cccc3ccccc23)SC1=Nc1nc(-c2ccccc2)cs1 1772736096 JDXAFCLLBBHESA-KHDUAGGOSA-N 441.581 6.587 30 10 IKEE CC[C@H]1CCCCN1C(=O)Oc1cccc2c(NC(=O)c3cccc(C#N)c3)cccc12 1858954848 SUWCMYOCYPFRSL-FQEVSTJZSA-N 427.504 5.727 30 10 IKEE CC(C)(C)c1ccc(Cn2nc(C(=O)Nc3ccc(C#N)cc3)cc2-c2ccccc2)cc1 1859380483 VXRXSGIKNDHUCQ-UHFFFAOYSA-N 434.543 6.020 30 10 IKEE N#Cc1ccc(NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)n(-c3ccc(Cl)cc3)n2)cc1 1859412164 OLTAMWZASYQBDG-UHFFFAOYSA-N 443.850 5.225 30 10 IKEE CC[C@@H](C)N(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)c(F)c1 1859922131 MTEPNYSHRAGJAX-SNVBAGLBSA-N 425.319 6.448 30 10 IKEE O=C(/C=C/c1ccc(Br)cc1F)C(=O)Nc1ccc(Nc2ccccc2)cc1 1860731456 QNTFOOYKHVLCBJ-NTUHNPAUSA-N 439.284 5.553 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 1861552807 BSAFLJNQTBBDII-CONWTENOSA-N 442.644 5.042 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@@H]1c1ccc(CC)cc1 1862390773 LVJBGYSDQFZRHA-VWLOTQADSA-N 433.592 6.360 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@H]2c2cc(Cl)cc(Cl)c2)cc1 1862394094 IJKYVRUZRSQYLJ-FQEVSTJZSA-N 432.347 5.934 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@H]1c1ccc(O)cc1)c1ccc(F)cc1F 1862412245 ZTDODODCRNECCN-QFIPXVFZSA-N 439.458 5.139 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@@H]2c2ccc(C)cc2)cc1 1862429929 XWAFFBJTXBMZAI-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1F 1862445944 HPTKMBAVCXWPTJ-FQEVSTJZSA-N 449.881 5.012 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1cccc(Cl)c1 1862464149 PTHAKKXMEDWXCP-LJQANCHMSA-N 437.845 5.382 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2cccc3ccccc23)cc1 1862480740 NISCPBKHRLUATQ-RUZDIDTESA-N 443.543 5.542 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccccc2Cl)cc1 1862507421 KXTGZXNSVGBZIO-QHCPKHFHSA-N 449.909 5.874 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2cccc(OC)c2)cc1 1862530577 SPECQEZUFYLLTL-XMMPIXPASA-N 445.490 5.175 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2[C@@H](C)CC)c1 1862546906 ITSCFEYABSNGQM-BXKMTCNYSA-N 433.548 5.341 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc2cc[nH]c2c1 1862583598 FWJDXMJYYYJDCF-FKIZINRSSA-N 443.330 5.852 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(C)cc1 1862613259 GMRPVBWMWOYHBS-QHCPKHFHSA-N 435.564 5.297 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cccc(C)c1 1862625605 KPPYIKMRFBCRQN-HYBUGGRVSA-N 449.547 5.661 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C(C)C)cc3)[C@H]2c2ccccc2C)cc1 1862659944 GOJZKLMFWZJWIZ-AREMUKBSSA-N 439.555 6.205 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2cccs2)cc1 1862660358 LENLQHLJZAOSDW-HSZRJFAPSA-N 431.557 5.958 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccc(F)c2)cc1 1862662932 NSHVKFBCVDQBMJ-HSZRJFAPSA-N 430.479 5.123 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(F)c2)cc1 1862672989 JKTVRBTZTWSMSX-GYCJOSAFSA-N 447.481 5.867 30 10 IKEE O=C(C1=C(O)C(=O)N(C23CC4CC(CC(C4)C2)C3)[C@@H]1c1ccccc1F)c1ccc(F)cc1 1862673642 NXNOPCMMOQGMDB-PHDLEGTPSA-N 449.497 5.512 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2cccc(C)c2)cc1 1862687088 GMEDXAJEQAHROL-MHECFPHRSA-N 427.500 5.343 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)cc1 1862727294 AETPXNVJFCLPME-HSZRJFAPSA-N 440.455 5.003 30 10 IKEE N#Cc1cccc(NC2=C(c3c[nH]c4ccccc34)C(=O)N(c3ccccc3Cl)C2=O)c1 1863134423 DAABKCOMNQSHDY-UHFFFAOYSA-N 438.874 5.090 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(Cl)cc2)C1=O 1863173117 DRYZEWTWUDQUBX-OAQYLSRUSA-N 435.955 5.763 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2OCC)=C(c2cc(C)ccc2C)C1=O 1863393911 SFVXJUNLJROSRC-UHFFFAOYSA-N 448.607 6.255 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(C)cc(C)c2)=C(c2ccc(F)c(C)c2)C1=O 1863453355 BXLIYGSROTUWNP-UHFFFAOYSA-N 436.571 6.303 30 10 IKEE C=CCOC(=O)c1sc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc1C 1865966345 MJMSYVRMGBEHIW-UHFFFAOYSA-N 438.349 5.084 30 10 IKEE C=CCN(CC=C)c1cc(N2C[C@@H](C)Cc3ccccc32)nc(-c2cccc(OC)c2)n1 1869307952 XAWUHCCOJJTOPV-FQEVSTJZSA-N 426.564 5.661 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)n(-c2ccc(C)cc2)n1 1870001704 PWYDNZBEDARFED-NHCUHLMSSA-N 447.970 5.150 30 10 IKEE CCCCCCCCn1cc(OCCCCC)c(=O)cc1CN1CCc2ccccc2C1 1870677438 DRGZEMRMCBDAAW-UHFFFAOYSA-N 438.656 6.336 30 10 IKEE C=CCOc1cn(CCc2ccc(C)cc2)c(CNc2ccc(OC)c(Cl)c2)cc1=O 1870809710 RIBDTNROUWKVJZ-UHFFFAOYSA-N 438.955 5.238 30 10 IKEE C=CCOc1cn(CCCCCC)c(CNc2ccc(Oc3ccccc3)cc2)cc1=O 1870813603 SVXHMHLPMCXWMM-UHFFFAOYSA-N 432.564 6.398 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O 1871385810 NSZYYWWBDJFYMK-HMAPJEAMSA-N 449.300 5.604 30 10 IKEE C[C@H]1C[C@@H](C)CN(Cc2c(O)ccc3c2O/C(=C\c2ccc(Br)cc2)C3=O)C1 1871396350 BDWWWIRMYFDNKP-SQXLMCOJSA-N 442.353 5.249 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(C)cc1)C2=O 1871402718 NADIZSKJTQCWIT-QETRNLNESA-N 441.527 5.888 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1 1871406703 JJJBJAKPJFYWQR-PDESAOGPSA-N 429.472 5.026 30 10 IKEE Cc1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)c1C 1871414390 UQAFLJHSTNCMQQ-ZKDCOOFMSA-N 447.918 5.979 30 10 IKEE Cc1c(OCCOc2ccc(C(C)(C)C)cc2)ccc2c1O/C(=C\c1ccc(F)cc1)C2=O 1871414742 MSRPIPTYTUNFLK-UQQQWYQISA-N 446.518 6.506 30 10 IKEE CCCCCCOC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(Cl)cc1)C2=O 1871421474 GFSKIVXCWITGTJ-STZFKDTASA-N 428.912 5.767 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCCC(=O)Nc4ccc(C)cc4)cc(C)c3C2=O)cc1 1871432730 OJXYCSHMHSYNPW-XYGWBWBKSA-N 441.527 5.890 30 10 IKEE CCc1cccc(CC)c1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O 1871455181 DQPRQVHHVYMIOZ-IWIPYMOSSA-N 427.500 5.445 30 10 IKEE Cc1cccc(COc2cc(C)c3c(c2)O/C(=C\c2ccccc2Br)C3=O)c1 1871455730 XRXFIYHQAPSHLU-UUYOSTAYSA-N 435.317 6.261 30 10 IKEE CCCCCCCCCCN=c1nc(N(CC)CC)[nH]c(=Nc2cccc(Cl)c2C)[nH]1 1871493125 IATBMANWDVTKPJ-UHFFFAOYSA-N 447.071 5.820 30 10 IKEE C=CCN([C@H](CCC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1871992146 VXDNUYQBVDXXFI-HSZRJFAPSA-N 442.625 5.213 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)[C@H](C)CC)S(=O)(=O)CC 1872340396 XXQLWGQIYYDFQY-AUSIDOKSSA-N 436.662 5.514 30 10 IKEE CCCc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 1872762191 FXTRPEIMWBUVGE-SFHVURJKSA-N 445.371 6.325 30 10 IKEE COc1cccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccc(C(C)(C)C)cc3)n2)c1 1872762781 WLRXPRCHARWKCZ-QFIPXVFZSA-N 448.588 6.152 30 10 IKEE CCCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1OCC 1872770205 NDINWMPTGVVCRF-HXUWFJFHSA-N 434.561 6.186 30 10 IKEE COc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872770597 ZFKCMQQQIZDXDI-CYBMUJFWSA-N 433.316 5.381 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(F)c(C)c3)cs2)cc1OC 1872772556 PZMXWPTUMMJHJR-YXOJNZSOSA-N 436.508 5.555 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)C(c3ccccc3)c3ccccc3)n2)cc1F 1872775453 QTSPITRGMHSLEW-FQEVSTJZSA-N 442.515 5.966 30 10 IKEE CCCCCCCOc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OC)cc3)n2)cc1 1872775885 CLJJKXUXBGIQMV-HSZRJFAPSA-N 448.588 6.658 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(N(CC)CC)cc2)=C(c2c(Cl)cccc2Cl)C1=O 1873289201 ASTHDEGWDRNSBQ-UHFFFAOYSA-N 444.362 5.218 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(C(C)(C)C)cc1)n2CCC 1873656770 LPCOYEFCEXPWKV-UHFFFAOYSA-N 431.584 5.570 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccc(OC(F)(F)F)cc3)c(=O)oc2c1 1873973862 CIQIZVUQLCYBBV-UHFFFAOYSA-N 447.409 5.136 30 10 IKEE C=CCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(OCC)cc1 1874270283 OFDDRPCQFLDQHX-NLRVBDNBSA-N 428.561 5.581 30 10 IKEE CCCSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1c(Cl)cccc1Cl 1874321553 XTCGKJLRFVMUKV-WYMPLXKRSA-N 449.407 6.165 30 10 IKEE Fc1ccc(CSc2nnc(Cc3ccc(Cl)cc3)n2/N=C/c2ccccc2)cc1 1874337409 SSZSGFIRHJCOJB-CVKSISIWSA-N 436.943 5.836 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccncc2)cc1C 1874357627 RIPQERQYQFGOFI-JFLMPSFJSA-N 431.540 5.194 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3F)n2/N=C/c2ccccc2)cc1C 1874358533 MPOATXXXXLHGTR-JVWAILMASA-N 430.552 5.799 30 10 IKEE CSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874386318 JHSGTTWFIGDFDI-YZSQISJMSA-N 428.561 5.360 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2F)n1/N=C/c1ccccc1F 1874395274 IUSZJDVPKJLGMM-JEWIKEISSA-N 434.515 5.883 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1cccs1 1874440520 FSRHOOKOHBIBTD-SSDVNMTOSA-N 439.437 6.410 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc([C@H]2CCCO2)n1/N=C/c1cccs1 1874449088 SRLAOHYXRRALCY-PPAWOMOGSA-N 439.393 5.672 30 10 IKEE COc1cccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CCCC2)c1 1874457641 ZBFJSTTYGLZBTL-ZVHZXABRSA-N 426.973 5.772 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccco3)n2/N=C/c2ccc(Cl)c(Cl)c2)c1 1874465856 DXNQMNIAUHDBNT-WYMPLXKRSA-N 443.359 6.328 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2c(F)cccc2Cl)nnc1-c1ccco1 1874468974 HIGNGAGCOCGOJM-WYMPLXKRSA-N 426.904 5.814 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1ccc(Br)cc1 1874475688 MRRQUGJQYRTEQT-OEAKJJBVSA-N 443.414 5.866 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2sccc2C)c1 1874486213 HHFZLBKWJRPDPO-FSJBWODESA-N 441.626 5.076 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(C(=O)O)cc1 1874508692 QEWNYTYDWIRLHS-MFKUBSTISA-N 430.533 5.257 30 10 IKEE CCCCC1CCC(c2nnc(S)n2/N=C/c2cc(OC)c(O)c(OCC)c2)CC1 1874563800 YGCXMUAZPHHWMT-OEAKJJBVSA-N 432.590 5.026 30 10 IKEE Cc1ccc(C(=O)/C=C/c2c(OCC(=O)Nc3cc(C)cc(C)c3)ccc3ccccc23)cc1 1874579406 LRTOQRMCTAHMPH-BUHFOSPRSA-N 449.550 6.679 30 10 IKEE CCCOc1c(OC)ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c1Br 1874592789 BZMMFTAFCSDANF-ZRDIBKRKSA-N 429.354 6.021 30 10 IKEE CCCN(CCC)C(=O)COc1cccc(/C=C/C(=O)c2ccc(Br)cc2)c1 1874593290 BXFINSSZKITQPW-MDWZMJQESA-N 444.369 5.373 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1C 1874607494 QRVKJZIZHQIJAS-IZZDOVSWSA-N 427.327 6.786 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Br)c2)ccc1OCc1ccccc1 1874610000 VVYMDCIWHAJLRD-ACCUITESSA-N 437.333 6.323 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(OC)c1OCc1ccccc1C 1874612593 CFCUVIQXRHUUDC-JLHYYAGUSA-N 434.482 6.485 30 10 IKEE C=C(C)COc1ccc(/C=C/C(=O)c2cc(OCC)ccc2OCC)cc1Br 1874630637 MILPXFGYZDYVIL-JXMROGBWSA-N 445.353 6.098 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1cccc(/C=C/C(=O)c2ccccc2Cl)c1 1874696786 LRUBPCOSQUVEJF-PKNBQFBNSA-N 427.283 6.117 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cccc(OC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)c2)c1 1874703455 QLMASDQCGKDLLH-ZRBKFCMDSA-N 430.931 6.562 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccco3)c2)cc1 1874708425 BTWYBPQLCOWBQR-SFQUDFHCSA-N 432.516 6.744 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC(=O)[C@H]1CCCO1 1874710591 FLEIFTVRPXOLSI-YIEPXFBBSA-N 438.520 5.116 30 10 IKEE Cc1cccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)c2)c1C 1874710817 KKCQDFHKWSEJPG-BUHFOSPRSA-N 442.555 6.418 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1 1875103672 KJFZLVWIXFLTLQ-XNTDXEJSSA-N 446.499 5.390 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1C 1875107474 RWBAKEWQVZTGFG-WEVVVXLNSA-N 430.544 6.022 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3Cl)cc2[N+](=O)[O-])cc1C 1875113684 SYYOIKBTAVRINW-DHZHZOJOSA-N 435.863 5.980 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1OCC 1875115550 JHTKSUVGEZDCMZ-ZRDIBKRKSA-N 431.326 5.840 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)c1ccc([N+](=O)[O-])cc1 1875129151 MTVNXMOTHGAPOT-XNTDXEJSSA-N 443.455 5.447 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccccc3)c([N+](=O)[O-])c2)cc1C 1875174614 AGPDSXATRQVEKX-FMIVXFBMSA-N 431.444 5.092 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)cc(Cl)c1OC(=O)C1CC1 1875188603 ACJOWMJPZFMQDN-XBXARRHUSA-N 435.303 5.612 30 10 IKEE C=C(COCc1ccccc1)[C@H](NC)[C@@H]1CC[C@@H]2CCCC[C@H]2N1C(=O)OC(C)(C)C 1922072875 YPTMPUGXHZFTJN-KIHHCIJBSA-N 428.617 5.306 30 10 IKEE COc1cccc([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)c1Br 1927304461 RIAZWJLSCKGNJV-QGZVFWFLSA-N 437.378 5.982 30 10 IKEE CCCCCCCCCC[C@H](NC)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1946523282 KYXWOUALXOSZGS-ZEQRLZLVSA-N 434.665 6.215 30 10 IKEE C=CCC[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](CCCC)C(=O)O 1958048395 RQBXSFWQCDGFHQ-SQHAQQRYSA-N 435.564 6.141 30 10 IKEE C=CCCCCC[C@@H](NC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997456297 QHXNBAHXCSJSNQ-BVAGGSTKSA-N 430.633 5.555 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1)NCCC 2006570593 JYPCKWXFGDBRFO-DHIUTWEWSA-N 430.633 5.553 30 10 IKEE C=C1CC(C[C@@H](NCC)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)C1 2011042201 RTFCZLHRPSTHQF-BVAGGSTKSA-N 428.617 5.165 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C12CCC2 2015373848 SRJFTFXSFXAIKX-HSZRJFAPSA-N 447.963 5.517 30 10 IKEE CCCN[C@H](CC#CC1CCCCC1)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2034429978 AXKLADLJTCAVBP-RPBOFIJWSA-N 442.644 5.439 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCC[C@H]2OCc2ccccc2)cc1 2043762661 NBEWLIMCLVIGIA-BVAGGSTKSA-N 436.552 5.858 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1ccc(NC(=O)OC(C)(C)C)nc1 2050053771 MDZHFJBNOLMKPZ-LJQANCHMSA-N 438.528 5.743 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)CC12CC2 2065974335 WQYUKFRHEAHKFA-RUZDIDTESA-N 441.572 5.420 30 10 IKEE C=C(C[C@H](NC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)OC 2071344099 JKZSDLKOFIIHLM-IGKIAQTJSA-N 433.548 5.016 30 10 IKEE CC[C@](C#N)(C(C)C)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071349908 UAAMIQHMPYYMKJ-IZLXSDGUSA-N 429.560 6.454 30 10 IKEE CC(C)(C)c1nn([C@@H](c2ccc(C(F)(F)F)cc2)C2CCC2)c(Br)c1C#N 2079895637 WNXVGYAXJZAXQA-MRXNPFEDSA-N 440.307 6.223 30 10 IKEE CCOc1ccc([C@@H](n2nc(C(C)C)c(C#N)c2I)C2(C)CC2)cc1 2080079823 MHCWGLPMSMUDMH-GOSISDBHSA-N 449.336 5.271 30 10 IKEE Fc1ccc(-c2c(C(F)(F)F)nn3c(Cl)c4c(nc23)CCCC4)nc1C(F)(F)F 2081147801 JGELKOJUVOFBBZ-UHFFFAOYSA-N 438.734 5.500 30 10 IKEE Cc1nc(SCC(=O)[C@@H](C#N)c2nc3c(s2)CCc2ccccc2-3)c(C#N)c(C)c1C 2084272971 MNAQQRRUQJVJKT-LJQANCHMSA-N 444.585 5.069 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 2133970217 VTHREUWWTCMRFV-LFYAFONDSA-N 448.563 5.714 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(Cc2ccccc2)C(C)(C)C1 2135148925 FBIGPIZMKHMTRZ-HHHXNRCGSA-N 449.595 5.774 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1c1ccc(Nc2cccc(Br)c2C#N)cc1 2162386745 GKYKKZLXFRNBKO-DNVCBOLYSA-N 428.330 5.445 30 10 IKEE COc1cccc(F)c1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2203462015 KEVZDTKFGPHRDO-INIZCTEOSA-N 435.293 5.603 30 10 IKEE CC1(C)OB(c2csc(CN(CCC(F)(F)F)Cc3ccccc3)c2)OC1(C)C 2211079796 PDEBQPGRWOEACB-UHFFFAOYSA-N 425.325 5.002 30 10 IKEE CCCN[C@H](C#CP(C)(C)=O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2225396459 IYQDPIKAUUUMMV-MRXNPFEDSA-N 443.322 5.420 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)cc(F)cc1Br 2233954894 IBFFDXDJFSZQDR-AEFFLSMTSA-N 445.348 5.075 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC 2235722747 KLTNOXCLMGRXRW-ILZDJORESA-N 437.422 5.108 30 10 IKEE CCCCCCCC[C@@](C)(CO)N(C(=O)OCc1ccccc1)c1cccc(Cl)c1 2240560411 GMOZKFXCZRAJHB-VWLOTQADSA-N 432.004 6.985 30 10 IKEE C#CCCCCC[C@H](NCCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2256705127 VBXHEJBGGYWCNK-DEOSSOPVSA-N 442.644 5.392 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)C[C@@H](C)C(C)(C)NC(=O)OC(C)(C)C 2296229507 KGCISGVDVJDWPL-VQIMIIECSA-N 437.422 5.108 30 10 IKEE COc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2c(Cl)cccc2Cl)C3=O)c1 2296866135 YKGHXVCGJISTFP-UHFFFAOYSA-N 441.266 5.837 30 10 IKEE Cc1ccc2oc(-c3ccc(N=Cc4cc([N+](=O)[O-])cc([N+](=O)[O-])c4O)c(C)c3)nc2c1 2297708084 CVCUIHNUPFYYPM-UHFFFAOYSA-N 432.392 5.384 30 10 IKEE O=C(NCc1ccccc1)c1c(N=Cc2c(O)ccc3ccccc23)sc2c1CCCC2 2297721787 CRTIXRJWHKMWCH-UHFFFAOYSA-N 440.568 6.166 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1C[C@@H]2CC[C@H]1CN(C(=O)OC(C)(C)C)C2 2312353078 WECCNIGSQRRFOR-JBXUNAHCSA-N 442.644 5.411 30 10 IKEE O=C1C(=Cc2ccccc2)SC(=Nc2ccc(Cl)cc2)N1c1ccc(Cl)cc1 2313619964 DVQCBBLRVBYYFY-UHFFFAOYSA-N 425.340 6.802 30 10 IKEE COc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C2CC2)c(OC)c1 2320920954 CZURJJPULXMVSH-UHFFFAOYSA-N 446.935 5.140 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OCC=Cc4ccccc4)cc(C)c3C2=O)cc1 2321817808 PISQHMZQDNABDW-UHFFFAOYSA-N 439.555 6.550 30 10 IKEE Sc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1cccc(OCc2ccccc2)c1 2322035010 FUCXSKINKLUFHH-UHFFFAOYSA-N 434.952 5.272 30 10 IKEE O=C(C=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12)c1ccc2c(c1)CCCC2 2322333403 VWCQXSCNPYHYAR-UHFFFAOYSA-N 436.526 7.333 30 10 IKEE Cc1cc(C(=O)C=Cc2c(OCc3cccc4ccccc34)ccc3ccccc23)ccc1F 2322630771 BKWKMWDDABRCFA-UHFFFAOYSA-N 446.521 7.916 30 10 IKEE Cc1cc(OC(=O)Cc2ccccc2)cc2c1C(=O)C(=Cc1cccc(Br)c1)O2 2322884526 BGCVLWQPMKLPOI-UHFFFAOYSA-N 449.300 5.522 30 10 IKEE COc1cc(C=NNc2cccc(C(=O)O)c2)ccc1OCc1ccc(Cl)cc1Cl 2322922871 QIGNXMDHWIGUBE-UHFFFAOYSA-N 445.302 5.725 30 10 IKEE Cc1ccc(NC(=O)COc2cccc(C=CC(=O)c3ccc4ccccc4c3)c2)c(C)c1 2323047626 NGRSDKJSKSDZER-UHFFFAOYSA-N 435.523 6.370 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc3c(c2)OC(=Cc2cccc(C)c2)C3=O)cc1OC 2323097656 CMBLGOQDOYCFTO-UHFFFAOYSA-N 444.483 5.167 30 10 IKEE Cc1c(OC(=O)c2ccc(F)c(F)c2F)ccc2c1OC(=Cc1ccc(F)cc1)C2=O 2323127037 QMCJZNZGEJEVEW-UHFFFAOYSA-N 428.337 5.387 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl)Nc1ccccc1 2323676211 XXZRGGNXKRVAJU-UHFFFAOYSA-N 436.851 5.162 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OCC)cc2)cc(OC)c1OCC(=O)OCCC 2323840727 OWFVFZDSPHNBCJ-UHFFFAOYSA-N 438.520 5.051 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)c(Cl)c2)c(C)c1 2323854561 UZOIURFZPGDTNV-FQEVSTJZSA-N 447.962 6.109 30 10 IKEE COc1ccc(-c2csc(NN=Cc3cc(Cl)c(OC)c(Cl)c3)n2)cc1OC 2323854676 NCCCWROZBMPFTH-UHFFFAOYSA-N 438.336 5.589 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 2324261518 YRUBIWYMEINOMZ-UHFFFAOYSA-N 425.387 5.357 30 10 IKEE CCOc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccc(C)o1)C2=O 2324331373 OLOZJJGNXGDTOZ-QGZVFWFLSA-N 447.487 5.317 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(O[C@H](C)C(=O)Nc3ccccc3C)ccc2C1=O 2324406222 QOJKOARCRGVZIJ-GOSISDBHSA-N 443.499 5.416 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(OC)cc3OC)n2)cc1 2324545733 ZOAMGXFXFNKQOM-NRFANRHFSA-N 448.544 5.506 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)ccc1OCc1cccc(F)c1 2324584964 ABDAXIQSUGNCJK-UHFFFAOYSA-N 446.562 7.305 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1C)OC(=Cc1ccccc1F)C2=O 2325142200 ZPRBFAFFCAELRP-SFHVURJKSA-N 445.490 5.773 30 10 IKEE O=C1C(=Cc2cccc(Cl)c2)Oc2cc(OC(c3ccccc3)c3ccccc3)ccc21 2325216039 VPLCWOGWCQAMMM-UHFFFAOYSA-N 438.910 7.125 30 10 IKEE COC(=O)c1ccc(COc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2Cl)C3=O)o1 2325373051 LJUVLVYDOZALBL-UHFFFAOYSA-N 445.254 5.568 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OCC(=O)Nc4c(C)cccc4C)c3C)C2=O)c1 2325502687 JFBKRBHZHVDWOS-UHFFFAOYSA-N 427.500 5.554 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(O)c(OCC)c1 2325565227 VSBLJZDTHGBEHN-UHFFFAOYSA-N 446.576 5.663 30 10 IKEE Cc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(-c4ccccc4)cc3)c2)cc1C 2325669235 ZKSLVSKEMIGOJU-UHFFFAOYSA-N 446.546 7.015 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccccc4Cl)c3C)C2=O)cc1 2325717862 BRCOOSZOFVSQKG-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE COc1ccc(C(=O)Oc2cccc(C=CC(=O)c3cccc(Br)c3)c2)cc1 2325720538 KEAGGUUPGPBAML-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3cccc(OC)c3)c2)cc1 2325739622 MYFKSSKLHXPSLG-UHFFFAOYSA-N 446.499 5.365 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2cccc(OC(=O)CC3CCCCC3)c2)c1 2325758113 BDIKZJBSVPIZEP-UHFFFAOYSA-N 436.548 6.256 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC(=O)CSc2ccccc2)c1 2325765954 XVGHCBZJMJSVHI-UHFFFAOYSA-N 444.596 6.886 30 10 IKEE CCOc1c(Cl)cc(C=Nn2c(CC)nnc2SCc2cccc(C)c2)cc1OC 2326379975 GWGFPKHRGTWTHC-UHFFFAOYSA-N 444.988 5.384 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc3ccccc23)n1N=Cc1cccc(Cl)c1 2326592341 UYSNXNGQKZAULJ-UHFFFAOYSA-N 447.007 6.420 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1cccc(C(F)(F)F)c1 2326681349 LUCZFRBHVYIWLA-UHFFFAOYSA-N 443.498 5.686 30 10 IKEE C=C(C)CSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1cccc2ccccc12 2328156018 NZPZACPAYURBBO-UHFFFAOYSA-N 446.664 7.446 30 10 IKEE C=CCSc1nnc(COc2ccccc2OC)n1N=Cc1ccc(C(C)(C)C)cc1 2328298075 INIKLCMGLIXXQR-UHFFFAOYSA-N 436.581 5.324 30 10 IKEE COc1ccc(CCc2nnc(SCc3cccc(C)c3)n2N=Cc2ccco2)cc1 2328572413 SVIBUUORHUNYSF-UHFFFAOYSA-N 432.549 5.148 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OC)cc2)n1N=Cc1ccccc1OCCC 2329271636 PHRWYCKUGQDUKL-UHFFFAOYSA-N 436.581 5.217 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(F)cc1 2329478003 GWMLPPBJENCYKX-UHFFFAOYSA-N 448.542 5.824 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2N=Cc2cccc(C)c2)cc1 2329941843 UMWLTFUZTYLCNU-UHFFFAOYSA-N 430.552 5.799 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2ccc(F)cc2)nnc1[C@@H](C)c1ccccc1 2330064047 VUGCZFNDCBEQFJ-IBGZPJMESA-N 430.552 6.052 30 10 IKEE CCCSc1nnc(Cc2ccccc2)n1N=Cc1ccc(OCc2ccccc2)cc1 2330499982 DONWNPRFCGXTKD-UHFFFAOYSA-N 442.588 5.832 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2-c2cccs2)c1 2330583470 BSAGTOZFGGATGB-UHFFFAOYSA-N 448.617 6.197 30 10 IKEE O=[N+]([O-])c1cccc(C=Nn2c(SCc3ccccc3F)nnc2-c2cccs2)c1 2330583629 LGNPYQOBTHNBAM-UHFFFAOYSA-N 439.497 5.228 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2F)c(Cl)c1)c1cccc([N+](=O)[O-])c1 2330627069 DIZMANLAOMRBTR-UHFFFAOYSA-N 425.799 5.503 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3C)c([N+](=O)[O-])c2)c1 2330786115 OHVVTAQEFJUXTO-UHFFFAOYSA-N 445.471 5.346 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3F)c(Cl)c2)cc1C 2330860375 ZATPUJKIRMBOOE-UHFFFAOYSA-N 438.882 5.840 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Br)cc2)cc(Cl)c1OC(=O)C1CC1 2330889459 WFTCPLWQNHCZEN-UHFFFAOYSA-N 449.728 5.713 30 10 IKEE Oc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C2CCCC2)c(O)c1 2331104329 LZHDFGFETQZANS-UHFFFAOYSA-N 446.935 5.314 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)[C@@H](C)c1ccccc1 2331279016 YWFXZDSPFZSPKA-IBGZPJMESA-N 448.946 6.652 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)Cc1ccc(F)cc1 2331429931 WUUGPRGOIUYQDS-UHFFFAOYSA-N 446.518 6.176 30 10 IKEE CCCCCCC(=O)Oc1c(OC)cc(C=CC(=O)c2cccc3ccccc23)cc1OC 2331471818 IWKLZTUBIXLNIY-UHFFFAOYSA-N 446.543 6.629 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3ccc(C=CC(=O)c4ccc(F)cc4)cc3Cl)c(C)c2c1 2331523345 RHZDCYDXFXUCHX-UHFFFAOYSA-N 447.893 6.693 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3C)c([N+](=O)[O-])c2)c(C)c1C 2331618420 WVJXPMAQSNVYJV-UHFFFAOYSA-N 445.471 5.644 30 10 IKEE C=CCSc1nnc(CCC)n1N=Cc1ccccc1OCc1ccccc1Cl 2331657537 WOIHRYZYSJCGPU-UHFFFAOYSA-N 426.973 5.623 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc(OC)c1OC(=O)c1ccccc1 2331660297 KSVUGKDWYVGLHW-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)[C@@H]3CCCO3)c(Cl)c2)c1 2331675040 VJJIXPRVZXYXBQ-QHCPKHFHSA-N 444.911 5.118 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3c(F)cccc3Cl)cc2)c(OC)c1 2331717134 VBESADSXLSXNIG-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE COc1cc(C=Nn2c(SCc3ccc(F)cc3)nnc2C2CC2)ccc1OC(C)C 2331727137 GGFZKYQDEPXBNP-UHFFFAOYSA-N 440.544 5.265 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)cc(OC)c1OC(=O)C1CC1 2331869883 HYDIMBTWQRUREX-UHFFFAOYSA-N 442.511 5.797 30 10 IKEE C=C1C[C@@]23CC[C@H]4[C@@](C)(C(=O)O)[C@@H](OC(=O)C=Cc5ccccc5)CC[C@]4(C)[C@@H]2CC[C@H]1C3 2333122822 BJQOPHXIKHSJOP-GQQLPBRGSA-N 448.603 6.275 30 10 IKEE C[C@@H](Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)c1cnn(Cc2ccccc2)c1 2339589452 XQFLLUPEIJITQV-LJQANCHMSA-N 430.361 5.144 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)[C@@H]1C[C@H]1c1ccccc1 2357745435 FDYWAJJRSNSHCR-QKLQHJQFSA-N 427.342 5.886 30 10 IKEE CC(C)c1ncccc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2367996000 SGWPGHAPPHMRLI-SFHVURJKSA-N 430.346 5.974 30 10 IKEE O=C(CSc1nc2ccc(/N=C/c3ccccc3O)cc2s1)NC1CCCCC1 3664756 BXDIGIUWBUWTND-YDZHTSKRSA-N 425.579 5.294 30 10 IKEE CC(C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)S/C1=N\c1ccc(Cl)cc1 12647652 SJSZQPZVWZZHQE-GOTYSUTNSA-N 433.936 5.095 30 10 IKEE Cc1ccc2nc(CSc3n[nH]c(N/N=C/c4ccc(Cl)cc4Cl)n3)[nH]c2c1 21076884 PWEFQHFLWYXJFL-ODCIPOBUSA-N 432.340 5.035 30 10 IKEE CCN(CC)c1ccc(/C=N\Nc2ncnc3sc4c(c23)C[C@H](C(C)(C)CC)CC4)cc1 33097085 TZKRCBPRLXRXGF-FHLIKIBJSA-N 449.668 6.525 30 10 IKEE CCN1C/C(=C\c2ccccc2OC(F)F)C(=O)/C(=C/c2ccccc2OC(F)F)C1 33623202 TXHCLNMMWYZGSW-JYFOCSDGSA-N 435.417 5.261 30 10 IKEE C=CCOc1ccc([C@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1 35444292 AKIOCRPXDFDKCH-AVWNRLRGSA-N 441.483 5.023 30 10 IKEE C=CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc1 39838163 ZMSWEFDRWGAIFA-XMMPIXPASA-N 438.483 5.119 30 10 IKEE Clc1ccc(CSc2n[nH]c(N/N=C/c3cccc(Cl)c3Cl)n2)cc1Cl 59015671 AVKXWRPIFNFZFZ-QPSGOUHRSA-N 447.178 6.157 30 10 IKEE COCC/N=C(/O)c1ccc(OC2CCN(C/C(C)=C\c3ccccc3)CC2)c(Cl)c1 64622121 VCCSYJWDYVAOPK-MNDPQUGUSA-N 442.987 5.238 30 10 IKEE CCCCCCCOc1cccc(NCC(=O)Nc2cccc(NC(=O)C(C)(C)C)c2)c1 100090262 UJCSQKIQUIBXBJ-UHFFFAOYSA-N 439.600 6.071 30 10 IKEE CCCCCCCOc1ccccc1[C@]1(C)Nc2ccccc2C(=O)N1C[C@@H]1CCCO1 100141080 RYDHWEQYJCFAJT-KDYSTLNUSA-N 436.596 5.955 30 10 IKEE C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)Oc1ccc(NC(=O)[C@]34CC[C@@H](C3)C(C)(C)C4=C)cc1)C2 100924962 JBHYNXIYPQPAMP-JKTOGDHLSA-N 433.592 6.296 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)S/C1=N/c1ccccn1 101124056 VKLLJJHJVWNEEA-AGEIGWASSA-N 449.963 5.938 30 10 IKEE CCN1/C(=C/C=C2/CC/C(=C3/Sc4ccccc4N3CC)C2=O)Sc2ccccc21 101400105 IKXDZJWYHLIPJC-GVKPEJJJSA-N 432.614 6.593 30 10 IKEE CCCCCCCCCCCn1c(COc2cccc3ccccc23)nc2ccccc21 102191037 NEEYUCLUNBFLCP-UHFFFAOYSA-N 428.620 8.299 30 10 IKEE Cc1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1Cl 102533891 RGPZFPVPVVZFBS-SADKCHQCSA-N 448.862 5.183 30 10 IKEE CCn1cc(/C=C2\Oc3c(ccc(OC(=O)c4ccco4)c3C)C2=O)c2cc(OC)ccc21 102734187 JERPKLSNTQTINY-FMCGGJTJSA-N 443.455 5.407 30 10 IKEE Cc1c(OC(=O)c2ccccc2Cl)ccc2c1O/C(=C\c1cn(C)c3ccccc13)C2=O 103024810 AADFMXWZGNGALF-QRVIBDJDSA-N 443.886 5.976 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(NC(=O)c4ccco4)cc3)n2)cc1 108978583 JPHBJBCSTWMQNX-IBGZPJMESA-N 443.484 5.154 30 10 IKEE N#Cc1cccc(C(=O)Oc2ccc(-c3nc4ccccc4n3Cc3ccccc3)cc2)c1 169852842 LJNFOCKHXYOXOV-UHFFFAOYSA-N 429.479 5.842 30 10 IKEE CCOc1cc(/C=N\n2c(SC)nnc2C(C)C)ccc1OCc1cc(C)ccc1C 169915732 ARWQQNCTOMKAAX-QFEZKATASA-N 438.597 5.600 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2ccc(C)cc2)cc1 169925231 WXSLFOSMHAODJP-XMMPIXPASA-N 438.483 5.268 30 10 IKEE CCCOc1c(Cl)cc(/C=N\Nc2nc(-c3ccc(OC)cc3)cs2)cc1OCC 169940461 INLPNJYRBVEVBQ-CFRMEGHHSA-N 445.972 6.106 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2cccs2)cc1 169985879 IZXFLQJSLWFZII-LJQANCHMSA-N 425.893 5.193 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2cccnc2)cc1 170006255 JKLUWSBCSKBEIG-QFIPXVFZSA-N 448.906 5.225 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccccc2C)cc1 170029911 VTETXGCATBMIQU-HSZRJFAPSA-N 447.918 5.830 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccc(C(C)C)cc2)cc1 170067473 LXMWEMFGEGISKQ-XMMPIXPASA-N 426.516 5.292 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2c[nH]c3ccccc23)c1 170074453 SINPAKLDHLYARA-HSZRJFAPSA-N 442.902 5.913 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C2CCCCC2)c1 170119278 LEPSOIWSYRQCEF-RUZDIDTESA-N 441.527 5.759 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1cccc(C)c1 170139024 HJXRHBYTRFEPFR-QFIPXVFZSA-N 447.556 5.460 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1ccccn1 170170742 FCTBAKMJCRCCNL-OAQYLSRUSA-N 448.906 5.143 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccncc1)c1cc2cc(Cl)ccc2o1 170209506 AXZTYKQZPKMEMF-NRFANRHFSA-N 436.895 5.392 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CCC)cc1 170215838 WYBXMOKNSNAPIP-JOCHJYFZSA-N 449.503 5.219 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc(OCC)c1 170218396 IJROVKIUQXEFAM-VWLOTQADSA-N 443.543 6.007 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2OC)[C@@H]1c1cccc2ccccc12 170220836 FMRKQWNPRHWFJC-DEOSSOPVSA-N 429.516 5.535 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccccc2)cc1C 170226946 VUUXPQCYAROJHC-HSZRJFAPSA-N 447.918 5.830 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@@H]1c1ccc(Cl)cc1 170236069 MUDDJEKIISRPMZ-QFIPXVFZSA-N 441.955 5.753 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccc(F)cc2)cc1 170238930 NPLHNSXMOUUUPK-HSZRJFAPSA-N 431.463 5.316 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1F 170248129 HIKUBCNUWYUURV-JOCHJYFZSA-N 449.453 5.373 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@@H]1c1ccccc1F 170253056 JLHGLNLNCFWEDL-IBGZPJMESA-N 436.508 5.246 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccc2C)cc1 170270876 VBQIAJSBFUOXCZ-XMMPIXPASA-N 445.490 5.706 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cc3cc(Cl)ccc3o2)=C(O)C(=O)N1Cc1ccco1 170274227 GKWAHFOSEHAHNR-JOCHJYFZSA-N 447.874 5.766 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1C1CCCCC1 170275504 OOHNPLCOLJHTGF-RUZDIDTESA-N 425.528 6.059 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)c(C)c3)[C@H]2c2ccco2)c1 170279166 DNVHZXKIGNFYDQ-HSZRJFAPSA-N 447.487 5.168 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccco2)c(OC)c1 170280961 ACNJEEZENCFJQL-QHCPKHFHSA-N 447.487 5.203 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccco1 170288521 GQYQYCOVOQNNED-OAQYLSRUSA-N 432.863 5.506 30 10 IKEE CC(C)C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1cccc(Oc2ccccc2)c1 170455449 IXFUHXMMSNSMPJ-QFIPXVFZSA-N 433.529 5.661 30 10 IKEE COC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 170468086 YHDDUXGORLTRTB-QHCPKHFHSA-N 449.547 5.286 30 10 IKEE CC(=NOCc1cccc(C(=O)N=[S@@](C)(=O)c2ccccc2)c1)c1ccc(Cl)cc1 254383746 JTBBXGSNDACVEM-PMERELPUSA-N 440.952 5.578 30 10 IKEE O=C(CON=Cc1ccc(Cl)cc1Cl)Nc1ccc(OCc2ccccc2)cc1 254744385 VWMCDZUJLINEPS-UHFFFAOYSA-N 429.303 5.562 30 10 IKEE CCCCOc1ccc([C@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526489733 CEOIYJBQCWDSFB-SANMLTNESA-N 438.527 6.103 30 10 IKEE CC(C)COc1cccc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2cccc(C#N)c2)c1 526516110 MUKUWFXIHIAPMX-HSZRJFAPSA-N 430.529 5.712 30 10 IKEE COc1ccc2c(c1)c([C@H]1C(c3cccs3)=C(O)C(=O)N1c1cccc(C#N)c1)cn2C 526517688 VFUDQZLOQVBHSV-QHCPKHFHSA-N 441.512 5.177 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccc(O)c2)cc1 526517751 WBAFYSATJCWVHN-XMMPIXPASA-N 426.472 5.110 30 10 IKEE CC(C)COc1c(Cl)cc(/C=N\n2cnnc2SCc2ccccc2)cc1Cl 526798845 ALVUWMONAMQQDY-VROXFSQNSA-N 435.380 5.794 30 10 IKEE Cc1nnc(SCc2ccccc2)n1/N=C\c1ccc(OC(=O)c2cccs2)cc1 526800292 ZKBFVSBVUJXVIW-UCQKPKSFSA-N 434.546 5.042 30 10 IKEE CCOc1c(Cl)cc(/C=N\n2c(CC)nnc2SCc2cccc(C)c2)cc1Cl 526808683 ZTNFGEZYXNBALI-MSXFZWOLSA-N 449.407 6.029 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccc(C(C)C)cc1 526822460 ZSPLSODGDDMPOG-PKAZHMFMSA-N 428.605 6.682 30 10 IKEE CCCCCCOc1ccc(/C=N\n2cnnc2SCc2ccc(C#N)cc2)cc1OC 526823199 SQGUJDPIWHQMFH-YUMHPJSZSA-N 449.580 5.292 30 10 IKEE COc1cc(C)c(C)cc1S(=O)(=O)N(Cc1cccc(C#N)c1)[C@@H](C)c1ccccc1 586164570 YUPWKKJKCXKRGR-FQEVSTJZSA-N 434.561 5.136 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(C#N)cc2)cc1 586181124 ZNUAPEIQDDAWHS-UHFFFAOYSA-N 446.616 6.072 30 10 IKEE C=C(C)CN(c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(CCCCCC)cc1 586233321 KYBIBPIMTJNAOK-UHFFFAOYSA-N 427.654 6.878 30 10 IKEE CCCCCCCCCCCCC(=O)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 692489213 SVZZWBQEQIZIPL-UHFFFAOYSA-N 431.661 7.694 30 10 IKEE C[C@H](CC(C)(C)C#N)Nc1c(Br)cc(Br)cc1Br 695812636 OOJZTSOELVQEAL-MRVPVSSYSA-N 438.989 5.714 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C#N)c1ncc(Br)cc1Br 698396916 HYTMHCXRIUQVKN-GWCFXTLKSA-N 447.171 5.207 30 10 IKEE C[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)c2ccccc21 698402774 BBKCGQZYNBVNBE-OYHNWAKOSA-N 427.342 6.117 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2cccc(F)c2Br)c1 698479562 WVZTYANWMPWJIQ-QGZVFWFLSA-N 435.293 5.603 30 10 IKEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@@H](C#N)c1ccc(Br)c2cccnc12 698827399 IGFWJBBCWLLBJC-AWEZNQCLSA-N 444.251 5.361 30 10 IKEE CCCc1cc[n+](/C(C(=S)Nc2ccccc2OC)=C(/O)c2ccc(C#N)cc2)cc1 762437386 INWAARIWEOUCDU-UHFFFAOYSA-O 430.553 5.130 30 10 IKEE Cc1ccc(Oc2ccc(C(F)(F)F)cc2N=Cc2cc(Cl)ccc2O)c(Cl)c1 1084001200 GKAWWNAJYSAOJA-UHFFFAOYSA-N 440.248 7.569 30 10 IKEE COC(=O)c1c(N=Cc2cc(Cl)cc(Cl)c2O)sc(Cc2ccccc2)c1C 1084435874 CWAHGKYSAGOUKQ-UHFFFAOYSA-N 434.344 6.197 30 10 IKEE Cc1ccc2nc(-c3ccc(N=C/C=C\c4ccc(Br)cc4)cc3)sc2c1 1565517534 LLVBNFOCBYXEIP-KLRHYXIJSA-N 433.374 7.450 30 10 IKEE Cc1cccc(-n2cc(/C=N\NC(=S)Nc3ccc(F)cc3)c(-c3cccs3)n2)c1 1857808559 DCXXZQGULBJVGB-CFRMEGHHSA-N 435.553 5.369 30 10 IKEE CC(C)c1ccc(-n2cc(/C=N\NC(=S)Nc3ccccc3)c(-c3cccs3)n2)cc1 1857808866 JMSRNPRBDRHRLG-MYYYXRDXSA-N 445.617 6.045 30 10 IKEE N#Cc1ccc(NC(=O)c2nn(Cc3cccc(Cl)c3)c(-c3ccccc3)c2Cl)cc1 1859382810 RLEDREJSWSOGQU-UHFFFAOYSA-N 447.325 6.029 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](C)NC(=O)c1cc(C)n(-c2cccc(Cl)c2)n1 1860936401 NXKQTLLGONMFAZ-IBGZPJMESA-N 447.023 5.209 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)c1ccccc1Br 1861021418 VAFZZJXTVDZSFB-LJQANCHMSA-N 425.411 5.214 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 1862392667 CTCZNGOEIXUDKM-QHCPKHFHSA-N 448.519 5.458 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccc(F)cc2)cc1C 1862401612 FTLVDNCQUNDKSH-OSPHWJPCSA-N 445.490 5.482 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2c(Cl)cccc2Cl)cc1C 1862406679 VKKRCPBZFGNOPM-HXUWFJFHSA-N 448.346 5.545 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@H]2c2ccccc2C)c1 1862411747 OBACRLARDZHEOC-XMMPIXPASA-N 447.481 5.669 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(F)cc1 1862430028 ANSUAAGQERVYCI-NRFANRHFSA-N 445.918 5.264 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CCCCCC2)cc1 1862431220 BZOOCWLABHVDLM-HSZRJFAPSA-N 437.967 6.204 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2cccnc2)cc1 1862432404 DFPOSBSISDVTMM-HSZRJFAPSA-N 446.934 5.637 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@H]1c1ccccc1F)c1cccc(Cl)c1 1862442235 HUFBSCPEOVYMKG-QFIPXVFZSA-N 439.914 5.948 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCCC2)cc1 1862494514 CDQNVKKIVZKNHE-VWLOTQADSA-N 447.575 6.003 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccccc2F)ccc1F 1862502156 SJYCRFMMUDMFCD-QMHKHESXSA-N 433.454 5.613 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccccc2F)ccc1F 1862502157 SJYCRFMMUDMFCD-WAIKUNEKSA-N 433.454 5.613 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2cccc(F)c2)cc1 1862530727 WRJGJXOKQNHBSP-XMMPIXPASA-N 447.481 5.348 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCCC)cc1 1862567278 OQIGWZUENMGCBS-HSZRJFAPSA-N 436.552 5.216 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(OC)cc1 1862591665 LSXUOAJVRSQBMR-XXBNENTESA-N 437.536 5.338 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1ccc(Cl)cc1Cl 1862646006 VFPVYFPXZNDWJU-GOSISDBHSA-N 438.282 5.129 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2cccc(Cl)c2)cc1 1862661791 SBJUOFCBCIIERU-HSZRJFAPSA-N 446.934 5.637 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1c(F)cccc1Cl 1862666869 NTKXQCDFKSTTCQ-QKKBWIMNSA-N 429.919 5.979 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccccc2F)cc1 1862686935 CYKYRMFVMHWRGM-WAIKUNEKSA-N 431.463 5.174 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1c(Cl)cccc1Cl 1862744765 UNDCSLLPFVGQIZ-BBATYDOGSA-N 449.290 5.278 30 10 IKEE N#Cc1ccc(NC2=C(c3cccs3)C(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1 1863102376 GXHMBXIYDWKZJZ-UHFFFAOYSA-N 440.311 5.323 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc3nc[nH]c3c2)=C(c2ccc(F)cc2)C1=O 1863146102 TUMJFGDTQRVSDD-UHFFFAOYSA-N 434.515 5.255 30 10 IKEE COc1ccc(-c2ccc(C(=O)Nc3scc(C(C)(C)C)c3C#N)c(C)n2)cc1OC 1865785693 JUXYTNGYPAEGMO-UHFFFAOYSA-N 435.549 5.557 30 10 IKEE Cn1nc(-c2ccccc2F)c(C#N)c1NC(=O)CCC1(c2ccccc2)CCCCC1 1866228696 HHVUFYKZBOSDDS-UHFFFAOYSA-N 430.527 5.719 30 10 IKEE CC[C@@](C)(NC(=O)C[C@@H](c1ccc(Cl)cc1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866755232 MCWIVUUWJJELHQ-ZJSXRUAMSA-N 425.960 5.265 30 10 IKEE C=CCN(CC=C)c1cc(N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)nc(-c2ccc(OCC)cc2)n1 1867997345 SKWFUZPDIBAEAX-DFHRPNOPSA-N 446.639 6.126 30 10 IKEE Cc1nc(Nc2ccc(C#N)cc2)cc(N2CCc3ccccc3[C@@H]2c2cccc(F)c2)n1 1868496591 DCOYZKLFHCICON-MHZLTWQESA-N 435.506 5.692 30 10 IKEE CCCCCCCCn1cc(OCC2CCCCC2)c(=O)cc1CNc1ccc(F)cc1 1870912753 DHJPPGVWCFCJNX-UHFFFAOYSA-N 442.619 6.919 30 10 IKEE CCCCCCCCn1cc(OCCCCCC)c(=O)cc1CNc1ccc(F)cc1 1871124946 DVOYNVZNTDJHBP-UHFFFAOYSA-N 430.608 6.919 30 10 IKEE O=C(COc1ccccc1)Oc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 1871364872 XFQKETJSBYMFIY-PKAZHMFMSA-N 448.474 5.954 30 10 IKEE COc1ccccc1/C=C1\Oc2c(ccc(OC(=O)/C=C/c3ccc(C)cc3)c2C)C1=O 1871366759 KPUQVIWSIRBKMC-SMDHAYCWSA-N 426.468 5.547 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OC(=O)c4ccc(C(F)(F)F)cc4)ccc3C2=O)c1 1871376129 VHCHLPLVWGRCLZ-MTJSOVHGSA-N 440.373 5.549 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871382265 QJYBLEDIGBJHPA-UUYOSTAYSA-N 434.831 5.101 30 10 IKEE CCCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccs2)C3=O)c1 1871390767 CGZOQOFQEIULTG-STZFKDTASA-N 434.469 5.289 30 10 IKEE COc1cccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4C)ccc3C2=O)c1 1871404283 KXJARSLFIDEYED-PDESAOGPSA-N 429.472 5.026 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCCCOc4cccc(C)c4)ccc3C2=O)c(OC)c1 1871405684 MUGMDQGHFTWALV-YSMPRRRNSA-N 446.499 5.476 30 10 IKEE CCCC[C@H](Oc1cc(C)c2c(c1)O/C(=C\c1cn(C)c3ccc(OC)cc13)C2=O)C(=O)O 1871423397 RLJYHLBUGLGNER-CQLJBLRDSA-N 449.503 5.134 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C(C)C)cc4)cc(C)c3C2=O)cc1 1871435304 DPQWDUXPXLCKRN-QFEZKATASA-N 441.527 6.061 30 10 IKEE Cc1cc(OCC(=O)Nc2c(F)cccc2F)cc2c1C(=O)/C(=C/c1cccc(F)c1)O2 1871440963 PWMSVNQWBKSJTH-JMIUGGIZSA-N 439.389 5.046 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4c(F)cccc4F)c3C)C2=O)cc1 1871441006 SCQUKPXFHWNOGD-XKZIYDEJSA-N 449.453 5.469 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(OC)cc2C)[nH]c(N2CCCCC2)n1 1871691713 BIEIXEZYCISVOH-UHFFFAOYSA-N 426.609 5.117 30 10 IKEE C=CCN([C@@H](C(=O)Nc1cccc(C)c1)[C@H](C)CC)S(=O)(=O)c1c(C)cc(C)cc1C 1872268136 QIDYWQSCMPCZQQ-AUSIDOKSSA-N 442.625 5.150 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)S(=O)(=O)C1CC1 1872332725 KWJYPCZRKWBAMZ-XMMPIXPASA-N 448.673 5.801 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 1872762908 ZHJAQOUHUCKBNO-DNXKIMQPSA-N 443.355 6.405 30 10 IKEE N#C[C@@H](C(=O)Cc1ccccc1Cl)c1nc(-c2cccc(Br)c2)cs1 1872764524 OYFCZXATUNYBED-HNNXBMFYSA-N 431.742 5.645 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(C)c(C)c3)n2)cc1OCCC 1872767017 NBDGADWGAFHROR-OAQYLSRUSA-N 448.588 6.495 30 10 IKEE N#C[C@H](C(=O)c1ccc(F)c(F)c1F)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872770503 WNRCXOAHVNIDDR-SNVBAGLBSA-N 427.234 6.024 30 10 IKEE COc1ccc(/C=N/n2c(S)nnc2C2CC2)cc1OCc1ccc(Cl)cc1Cl 1873502884 XOWQRVFFLOTHNN-AUEPDCJTSA-N 449.363 5.221 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc2c(NCCCCC)ncnc21 1873622862 NHTFNCWFFHKCDH-UHFFFAOYSA-N 442.907 5.033 30 10 IKEE Clc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2cccnc2)cc1 1874264885 FUTIRVCQRJYCGJ-AFUMVMLFSA-N 435.940 5.080 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2cccc(F)c2)n1/N=C/c1cccn1C 1874299015 DZZNVBUWOVZCOV-VULFUBBASA-N 449.555 5.126 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1ccc(Cl)cc1 1874329898 GCJVDYJMRKSQHW-AFUMVMLFSA-N 425.001 5.884 30 10 IKEE COc1ccc(OC)c(/C=N/n2c(SCc3ccc(F)cc3)nnc2-c2ccccc2)c1 1874426624 QVOGSHKSCSWQPO-CVKSISIWSA-N 448.523 5.276 30 10 IKEE CCCSc1nnc(CCOC)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874473371 BEPNSQDMURQMCC-BUVRLJJBSA-N 444.988 5.084 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1/N=C/c1ccc(Br)cc1 1874476213 JSARDNSQWCCRFX-YDZHTSKRSA-N 447.377 5.697 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1cccc(OCC)c1 1874508837 YEWKFWMIWDCORL-ZMOGYAJESA-N 449.407 6.111 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C(C)C)c1 1874515159 SPQGUZAXNOAVLS-DHRITJCHSA-N 446.979 6.157 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1C 1874573860 ISLYKVHRGHBORY-DHZHZOJOSA-N 427.327 6.786 30 10 IKEE CCCOC(=O)COc1ccc(Br)cc1/C=C/C(=O)c1cccc(Cl)c1 1874576422 MFTZAPKXLYAMSS-SOFGYWHQSA-N 437.717 5.331 30 10 IKEE C=CCOc1c(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(Br)cc1OC 1874587052 RSYLBYJSZSDCOU-CMDGGOBGSA-N 429.354 6.152 30 10 IKEE Cc1ccc(C(=O)/C=C/c2c(OCc3c(F)cccc3Cl)ccc3ccccc23)cc1C 1874588528 RAOVQHWIRKHIIX-BUHFOSPRSA-N 444.933 7.724 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OCC(=O)N[C@@H](C)c1ccccc1 1874595986 DJAQJYMNTWWYRY-KVDXNUTJSA-N 443.543 5.464 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1OCc1cccc(Cl)c1 1874596901 IVWDJNMPBQAXHF-VMPITWQZSA-N 436.891 5.595 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc1OCc1ccc(C)cc1 1874601154 WVXKXHFKWUEQSG-NTCAYCPXSA-N 438.523 6.641 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1 1874606556 UXBPUXNHBUZBGZ-FOWTUZBSSA-N 447.962 6.596 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(C)cc3)c([N+](=O)[O-])c2)cc1 1874607329 IJBVDVBEQWGDMC-FOWTUZBSSA-N 429.516 6.721 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3nc(O)c4ccccc4n3)cc2)cc1C 1874607679 ZYNJRLSVNCKGOB-UKTHLTGXSA-N 426.472 5.128 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)ccc1OCc1cc(C)ccc1C 1874622109 MNSIXABKNNEFLS-JXMROGBWSA-N 444.527 5.948 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1 1874625797 WLKKPBXOTQLPFB-RGVLZGJSSA-N 446.562 7.650 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)cc(Br)c1OC 1874637415 YSMUWNHSUQUJFH-SNAWJCMRSA-N 446.124 5.678 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)CC3CCCCC3)c2)cc1F 1874707385 CMAWJZILPFXNQN-DHZHZOJOSA-N 426.484 5.615 30 10 IKEE COc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3cccc4ccccc34)c2)cc1 1874708290 VJGCKPIXIBHRNS-SFQUDFHCSA-N 438.479 5.729 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccc(F)c(F)c2F)c1 1874713375 SOQMHWHFQZPEAE-JXMROGBWSA-N 440.417 5.845 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1 1874715497 CISBEXBBLFZAHN-OQLLNIDSSA-N 443.499 6.316 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(F)c(C)c2)CSc2nnc(C(C)C)n21 1874846652 IMCPANCNWUYPJQ-HXUWFJFHSA-N 432.609 5.911 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)c1ccncc1 1875111552 KJFRBLXRXGICGJ-VOTSOKGWSA-N 428.271 5.512 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1)c1ccc(-c2ccccc2)cc1 1875120376 QULGPRQAUPYQNT-CAOOACKPSA-N 440.445 6.747 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)cc1)c1ccc(Cl)cc1 1875123234 YBQZOKMWUIIYSF-KXYJEEOFSA-N 437.322 6.599 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC(=O)Cc1ccc(C)c(C)c1 1875126791 XCZZQFJBWLFQPX-NTUHNPAUSA-N 448.946 6.400 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)COCc3ccccc3)c([N+](=O)[O-])c2)c1 1875139555 NRCITBCRILQYMY-ZRDIBKRKSA-N 445.471 5.230 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(C)c3)cc2[N+](=O)[O-])c1 1875142072 KAARRQGXFZXJDC-XBXARRHUSA-N 433.435 5.774 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)c1ccco1 1875142366 XRCAQZCOHCJUSS-RMKNXTFCSA-N 428.843 5.895 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)Cc1cc(C)ccc1C 1875142609 LDXHFQKSUDKLQC-YRNVUSSQSA-N 432.491 5.804 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1Br 1875146078 CXZUDZCJNBWNPM-VMPITWQZSA-N 445.309 5.212 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(OC)c1OC(=O)c1ccncc1 1875154138 QSEWJEAJYAGMAI-ZHACJKMWSA-N 439.467 5.367 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCSC)c([N+](=O)[O-])c2)c(C)c1C 1875167179 SKDBLBNXLRCHHD-JXMROGBWSA-N 443.521 5.165 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3cccs3)c([N+](=O)[O-])c2)c1C 1875169672 XDVIKHLQMWYKSA-VQHVLOKHSA-N 449.528 5.934 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1ccccn1 1875170420 WVDUZRITFARAAV-ZRDIBKRKSA-N 429.516 5.829 30 10 IKEE CCCC(=O)Oc1c(OCC)cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1[N+](=O)[O-] 1875183633 LLFOQJRAKGJHTD-MDZDMXLPSA-N 425.481 5.520 30 10 IKEE C=CC1(C[C@@H](N)[C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCC1 1875670351 ZNYOWRBCCBMUFU-LEAFIULHSA-N 443.587 5.952 30 10 IKEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1ccc(OCc2ccccc2)cc1 1891687743 MFBXAMQJPKBRMA-UHFFFAOYSA-N 439.433 5.097 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](O)c1ccc(Br)c(Cl)c1 1922067418 BFGWAQMXVUGHRH-LEWJYISDSA-N 438.793 5.277 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1ccc(Br)cc1C(F)(F)F 1922114329 XNFSDQVZPCGRTP-LJQANCHMSA-N 428.292 5.892 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2010803550 PKMJDYXVWHQVRC-XQUALCHDSA-N 428.617 5.306 30 10 IKEE CC[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(OC)cc2)CN1Cc1ccccc1 2029759365 LVIYOWOFYIKDRY-RLWLMLJZSA-N 435.568 5.384 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(Cc2ccccc2)[C@H](C)C1 2037526900 LDNMMLRGXVVZRK-IBVKSMDESA-N 435.568 5.384 30 10 IKEE Cc1cc(Br)sc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2039290463 TYDLLUWDSNKAAS-CQSZACIVSA-N 425.323 5.965 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)([C@@H](O)CC#CC2CCCCC2)C1 2041887476 PUOQLMWMZUHXMC-IGKIAQTJSA-N 441.612 5.165 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)[C@H]2CC[C@H]21 2057587899 YZWTWFUXFPVVDG-WZOHSFFVSA-N 447.620 5.628 30 10 IKEE CCc1nn([C@@H](c2ccc(C3CC3)cc2)C(C)(C)C)c(I)c1C#N 2079007520 UTPFKFAAVPCXGT-SFHVURJKSA-N 433.337 5.435 30 10 IKEE CC(C)c1nn([C@H](c2ccc(C3CCC3)cc2)C2CCC2)c(Br)c1C=NO 2079926329 ABXFOQMTKHWKJN-NRFANRHFSA-N 430.390 6.234 30 10 IKEE CC[C@@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)(F)F)c(C=O)c1Br 2080053356 IDUZKRLLNLWXFR-NSHDSACASA-N 447.148 5.634 30 10 IKEE CCc1nn([C@@H](c2ccc(OC(C)C)cc2)C2(C)CC2)c(I)c1C#N 2080108040 XFRVTGUMEQYSMC-SFHVURJKSA-N 449.336 5.098 30 10 IKEE C=CCCCCCCCCC[C@@H](O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2086264681 WJCFTYYNMQETMV-JWQCQUIFSA-N 446.676 6.070 30 10 IKEE CN[C@@H](CC#CC1CCCCC1)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2149864086 HHGSGKGFDBUIPB-FQEVSTJZSA-N 435.406 6.030 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CC[C@H](Nc3ccc(C#N)cc3Br)C2)CC1 2155284164 LKAXKTOBRIGSEF-INIZCTEOSA-N 434.378 5.302 30 10 IKEE CN[C@H](C#Cc1ccccc1Br)c1ccc(NC(=O)OC(C)(C)C)c(Cl)c1 2235733397 UKPICXTULASKEO-GOSISDBHSA-N 449.776 5.762 30 10 IKEE Cc1cc(NC(=O)[C@@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)cc(C)c1C#N 2243057826 BYSUQUYXYNHIEB-GOSISDBHSA-N 439.515 5.041 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)C1(C(F)F)CCN(C(=O)OC(C)(C)C)CC1 2251542397 JMKXWCIYPMCTNN-HXUWFJFHSA-N 438.559 5.020 30 10 IKEE C[C@H](c1cccs1)N(Cc1ccccc1)c1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2254792224 JHKHZCFSXWLFQN-QGZVFWFLSA-N 438.377 5.349 30 10 IKEE C=CCCC1([C@@H](NCC)c2cscc2Br)CN(C(=O)OC(C)(C)C)C1 2255004165 QINGQERPWBLKFL-INIZCTEOSA-N 429.424 5.365 30 10 IKEE CC1(C)OB(c2cc(C(=O)N(Cc3ccccc3)C3CCCCC3)n(C3CC3)c2)OC1(C)C 2281806765 GUXRCXAIAMRFLI-UHFFFAOYSA-N 448.416 5.097 30 10 IKEE COc1ccc(CNc2ccc(Br)cc2C#N)cc1NC(=O)OC(C)(C)C 2284073432 PVPCUBOCOYIXSD-UHFFFAOYSA-N 432.318 5.288 30 10 IKEE CC(C)(C)OC(=O)NC1C[C@@H]2CCC[C@H](C1)C2Nc1cc(Br)ccc1C#N 2285781077 XDFCZEKSDQMRGB-BQIGGSFXSA-N 434.378 5.205 30 10 IKEE C=CC[C@]1(COc2cc(Br)nc(C(C)C)n2)CCCN1C(=O)OC(C)(C)C 2287728053 IKXGPRKLVMUDPL-HXUWFJFHSA-N 440.382 5.087 30 10 IKEE CCN[C@H](CC#CC1CCCC1)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2289840876 WGLQUPIMJUOKEY-HXUWFJFHSA-N 435.406 6.030 30 10 IKEE Cc1cc(C)c2nc(N3C(=O)C(=O)C(=C(O)c4ccco4)[C@@H]3c3ccccc3F)sc2c1 2296125299 AATNAHBSEMHYAL-FQEVSTJZSA-N 448.475 5.272 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1c(F)cccc1Cl)C2=O)c1cccc([N+](=O)[O-])c1 2296208212 XOAAHTJFEJHVDY-UHFFFAOYSA-N 439.782 5.223 30 10 IKEE Cc1cc(Cl)cc(C(=O)C#Cc2ccc(Br)cc2)c1NC(=O)OC(C)(C)C 2296220140 VHWWZTOBUDLRLD-UHFFFAOYSA-N 448.744 5.992 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1CC[C@H](O)C#Cc1cccc(Br)c1 2296233619 ZBCXDQAXMKTBON-DFQSSKMNSA-N 436.390 5.025 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C 2296300696 LLFAZQBLMMGESA-RBUKOAKNSA-N 437.422 5.108 30 10 IKEE Cc1ccc(CN2c3ccccc3C(=O)C(=CNc3ccc(C)c(C)c3)S2(=O)=O)cc1 2297375449 JTYSBGWNNOURLW-UHFFFAOYSA-N 432.545 5.098 30 10 IKEE O=C(Oc1ccc(C=Nc2ccc3c(c2)OCCO3)cc1)c1ccc(Br)cc1 2297672195 PVUZBUVQQOWLBN-UHFFFAOYSA-N 438.277 5.190 30 10 IKEE COc1ccccc1C=NN=C1SC(=CC=Cc2ccccc2)C(=O)N1Cc1ccco1 2314818953 PCVGKOUSEUWJMM-UHFFFAOYSA-N 443.528 5.351 30 10 IKEE CN[C@H](C#C[C@H]1CC1(C)C)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2317331634 WVTYWDCBSPDJSO-IZZNHLLZSA-N 425.572 6.155 30 10 IKEE COc1ccc(CN2COc3cc(C)c4c(c3C2)OC(=Cc2cccc(F)c2)C4=O)cc1 2321950412 UYDJHAYZBLLWNH-UHFFFAOYSA-N 431.463 5.111 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2)Oc2c1ccc1c2CN(CCOc2ccccc2)CO1 2322038096 UGBMQZQSNVRYDL-UHFFFAOYSA-N 433.891 5.187 30 10 IKEE CCc1ccccc1NC(=O)COc1ccccc1C=CC(=O)c1ccc2ccccc2c1 2322312546 AIXFVEWJFLUWHI-UHFFFAOYSA-N 435.523 6.316 30 10 IKEE Cc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)cc1 2322680930 DBCSKKYQPFUWGV-UHFFFAOYSA-N 426.512 6.436 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccccc1OCc1cc(C)ccc1C 2322766941 DTAOPCPJUQRJJA-UHFFFAOYSA-N 428.572 7.085 30 10 IKEE CCCOC(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccc(OC)c(C)c1C 2322818817 NNQWSJDTFQKFAU-UHFFFAOYSA-N 432.516 5.693 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccccc1OCC(=O)OCC(C)C 2322825235 XWKFJWKUDVMUQD-UHFFFAOYSA-N 437.319 5.476 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1OCc1ccc(Cl)c(Cl)c1 2323106001 BJZJNFCJLQFPHB-UHFFFAOYSA-N 449.280 6.755 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)cc(C)c3C2=O)cc1 2323310758 NMFMMWITQSHUAS-UHFFFAOYSA-N 429.428 5.301 30 10 IKEE CCCOc1ccccc1C=CC(=O)Oc1ccc2c(c1)OC(=Cc1ccccc1)C2=O 2323341225 GOFCRQPWLUXGIU-UHFFFAOYSA-N 426.468 5.710 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1ccc2ccccc2c1 2323395668 TWIYRKGSGLXNDJ-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OC(=O)Cc3cccc4ccccc34)c2C)C1=O 2323400809 ZXVPMTQLOHQTKV-UHFFFAOYSA-N 434.491 6.221 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(CC)cc2)cc(OC)c1OCCc1ccccc1 2323482971 ZERMCXFGDVNPOL-UHFFFAOYSA-N 426.556 6.504 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)c4cc(Cl)ccc4Cl)c3C)C2=O)cc1 2323583777 TXXQHOPQNAKFRP-UHFFFAOYSA-N 439.294 6.446 30 10 IKEE COc1ccc(Br)cc1C=C1Oc2cc(OC(=O)C=C(C)C)cc(C)c2C1=O 2323719958 VXCDEHZCAWOWJW-UHFFFAOYSA-N 443.293 5.254 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2OC)C3=O)cc1 2323864646 BLSLYEOMENVVPM-UHFFFAOYSA-N 428.440 5.095 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Cl)c(Cl)c1 2323879613 MBPLGEUYURPJGO-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(C)cc1 2323890188 RVMBNDXCIQRSLB-UHFFFAOYSA-N 441.354 7.176 30 10 IKEE CCCOc1c(Cl)cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc1OCC 2324265129 HLTRJGWECNPFFO-UHFFFAOYSA-N 430.972 6.864 30 10 IKEE COc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4Cl)ccc3C2=O)cc1 2324386072 YCMOYTMECIPQRS-HNNXBMFYSA-N 449.890 5.371 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1 2324451614 FWEKMSFDJUKUMU-MRXNPFEDSA-N 447.462 5.165 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OCc2ccc(F)cc2)c(Cl)c1 2324696866 FKFMZVJZIJGIRC-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE COc1cc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(F)cc3)n2)c(OC)cc1Cl 2324741428 BUEZBKQXEMFEEH-MRXNPFEDSA-N 442.899 5.509 30 10 IKEE Cc1ccc(CCOc2ccc3c(c2)OC(=Cc2ccccc2Br)C3=O)cc1 2325367156 AJNLCQYMOSTQRH-UHFFFAOYSA-N 435.317 5.995 30 10 IKEE CC(C)OC(=O)c1ccc(COc2ccc3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)o1 2325385182 MKZKQQBGMUYEQP-UHFFFAOYSA-N 446.499 6.163 30 10 IKEE O=[N+]([O-])c1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 2325471275 VAAQZEBZKBWIDT-UHFFFAOYSA-N 447.495 5.091 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccc(Cl)cc3)cc(C)c2C1=O 2325513734 NQHKCQONYNUMIC-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(OCC(=O)Nc3ccc(F)c(F)c3)c2C)C1=O 2325528766 BMCDNAFIYRIFJD-UHFFFAOYSA-N 441.455 5.277 30 10 IKEE COc1ccc(C(=O)Oc2cc(C=CC(=O)c3ccc4c(c3)CCCC4)ccc2OC)cc1 2325700860 WCKPSDZUUVMONF-UHFFFAOYSA-N 442.511 5.698 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC(=O)c2ccccc2F)c1 2325752731 YJJVQAOENTZTNF-UHFFFAOYSA-N 432.491 6.247 30 10 IKEE CCCSc1nnc(CCCOc2ccc(OC)cc2)n1N=Cc1sccc1C 2326272539 SVPVUCGRKWOROM-UHFFFAOYSA-N 430.599 5.053 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1ccccc1OC(C)C 2328179719 PSAVKPISMONHSX-UHFFFAOYSA-N 440.657 6.690 30 10 IKEE CCCCOc1ccc(C=Nn2c(SC)nnc2[C@H](C)c2ccccc2)cc1OCC 2330047857 GLDPSAMHHIFQLB-GOSISDBHSA-N 438.597 5.612 30 10 IKEE Oc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCc2cccc(F)c2)c(O)c1 2330251668 CLETUTAWXYCWPM-UHFFFAOYSA-N 440.544 5.126 30 10 IKEE C=CCSc1nnc(Cc2ccccc2)n1N=Cc1ccc(OCc2ccccc2)cc1 2330499092 HDGSRIHLDOTBNI-UHFFFAOYSA-N 440.572 5.608 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2cccs2)c1C 2330632797 RBRMTUDRHWWSAS-UHFFFAOYSA-N 447.589 5.236 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(CC)cc2)cc1OC 2330738765 YWPGKBDPJJBWNC-UHFFFAOYSA-N 428.956 6.683 30 10 IKEE COc1ccc(OC)c(C=Nn2c(CC(C)(C)C)nnc2SCc2cccc(C)c2)c1 2330821930 DLFJWSNKGDFTTJ-UHFFFAOYSA-N 438.597 5.367 30 10 IKEE COc1cccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccccc2F)c1OC 2330844861 GYAITQWJCYFPTP-UHFFFAOYSA-N 442.560 5.198 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)COCc2ccccc2)c(Cl)c1 2331063777 VAEIUJRFFKHUFM-UHFFFAOYSA-N 436.891 5.367 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)C(F)(F)F 2331094110 AEXJHEWGFGICSW-UHFFFAOYSA-N 434.744 5.381 30 10 IKEE CCCCC(=O)Oc1c(OCC)cc(C=CC(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 2331150505 MVTFFJWFDCJFCR-UHFFFAOYSA-N 431.872 5.639 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Br)c1OC(=O)CCCSC 2331177873 LBKHVBYSEHFSJU-UHFFFAOYSA-N 449.366 5.402 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)CC(C)(C)C)c(OC)c2)cc1 2331187669 NQQGGZDGWNERKF-UHFFFAOYSA-N 430.928 5.985 30 10 IKEE C=CCSc1nnc(C(C)(C)C)n1N=Cc1ccc(N(CC)Cc2ccccc2)cc1 2331399632 GIQZDFMEVAIQGJ-UHFFFAOYSA-N 433.625 5.762 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)C3CCC3)c(Br)c2)cc1F 2331456823 KFYLVHXTKVDNRR-UHFFFAOYSA-N 433.273 5.198 30 10 IKEE CCCOc1ccccc1C=Nn1c(CC(C)C)nnc1SCc1cccc(Cl)c1 2331470817 NCJZSJMTFDUGMH-UHFFFAOYSA-N 443.016 6.093 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc3ccccc23)cc(OC)c1OC(=O)c1cccnc1 2331484489 BRVAWNMMQUQQEW-UHFFFAOYSA-N 449.506 6.087 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc3ccccc23)cc(OC)c1OC(=O)CC(C)C 2331484797 SVDGTLVJJZSABO-UHFFFAOYSA-N 428.528 6.425 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc([N+](=O)[O-])c1OC(=O)C1CCC1 2331500564 WZLPWZDIGGFCMV-UHFFFAOYSA-N 437.492 5.719 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cc(Cl)c(OC(=O)C3CC3)c(OC)c2)cc1C(C)C 2331571699 ZCWROYIGGYMNCU-UHFFFAOYSA-N 442.939 6.001 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)c(C)c1C 2331612400 QWCAOMCFIYQDRY-UHFFFAOYSA-N 445.471 5.644 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Br)c1OC(=O)CC(C)C 2331708483 QXDVVYCSPOVSKP-UHFFFAOYSA-N 445.353 5.922 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccccn2)c(Cl)c1 2331793001 XNHQEKYVOLJUCW-UHFFFAOYSA-N 433.935 6.456 30 10 IKEE CC#CCN(C[C@@H](NC)c1cc(Br)cc(C(C)(C)C)c1)C(=O)OC(C)(C)C 2363134683 CSPAUSHOWKKGPL-LJQANCHMSA-N 437.422 5.268 30 10 IKEE CCC(=O)Oc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)cc1OC 3633804 CYZNXHPBTVKKAQ-MHZLTWQESA-N 427.500 5.837 30 10 IKEE CN(C)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(-c4ccc(Cl)cc4)c32)cc1 9597278 ZOAZGYVZTCJMFM-NRFANRHFSA-N 446.982 5.997 30 10 IKEE O=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(NC(=O)c2ccco2)cc1 39850877 IEHBAUKWMFELCG-ZRDIBKRKSA-N 428.400 5.596 30 10 IKEE C=C(Br)Cn1c([C@@H](Sc2ccccc2)c2ccccc2)nc2ccccc21 39907363 MOGCUIARIJBYLD-QFIPXVFZSA-N 435.390 6.827 30 10 IKEE COc1cccc2cc(C(=O)Oc3ccc4c(c3)O/C(=C\C=C\c3ccccc3)C4=O)oc12 41354191 DZJIIKFIGYUJJD-XMVJLOIKSA-N 438.435 5.833 30 10 IKEE Cc1ccc(/N=C/c2ccccc2OCc2ccccc2)cc1I 59508043 DBWCMVMEIRXVAZ-OEAKJJBVSA-N 427.285 5.929 30 10 IKEE C=CCn1c(SCCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccccc1 59776492 VQNKAOZHFGXAFP-UHFFFAOYSA-N 432.471 5.271 30 10 IKEE C=CCn1c(CCc2ccc(I)cc2)nnc1SCCCCC 59877670 LITVYPQZWNRBCF-UHFFFAOYSA-N 441.382 5.136 30 10 IKEE O=c1c2c3c(sc2nc(SCC#Cc2ccccc2)n1-c1ccccc1)CCCC3 72262383 PTTFXNWEDJNNMK-UHFFFAOYSA-N 428.582 5.470 30 10 IKEE CCCCCCCOc1ccc(NCC(=O)Nc2cccc(NC(=O)CC)c2C)cc1 100077906 QVOMKYSBNNAMEV-UHFFFAOYSA-N 425.573 5.743 30 10 IKEE CCCC[C@H]1S/C(=N/N=C/c2cccc3ccccc23)N(Cc2ccc(F)cc2)C1=O 101344976 CDXXXPXFENUARQ-HWRYFGFYSA-N 433.552 6.003 30 10 IKEE CCCCCCCCCn1c(CCCCCNC(=O)Cc2ccccc2)nc2ccccc21 102176254 XVZVUBYEOASQMI-UHFFFAOYSA-N 447.667 6.859 30 10 IKEE CCCCCCCCOc1ccc(/C=C2/SC(=S)N(c3cccc(O)c3)C2=O)cc1 102433245 CZARGXPMJOQSJW-CJLVFECKSA-N 441.618 6.537 30 10 IKEE CC(C)Oc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(Cl)cc2)cc1 103106580 LPVSOYZFSIQTAP-VFJWVMJUSA-N 448.906 5.149 30 10 IKEE CCCCCCCCNCc1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12 103592198 OLEDLIPDWBHMJN-UHFFFAOYSA-N 431.451 7.755 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccc(O)cc2)cc1 169961754 SAVRTXSCZDEXIH-QFIPXVFZSA-N 449.890 5.227 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(C)c(C)c2)[C@H]1c1cccc(C)c1 169967164 KLBKXSUKCILRKX-RUZDIDTESA-N 441.527 5.399 30 10 IKEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2cccnc2)cc1 170001498 CBKYZRRYGQJREY-RUZDIDTESA-N 449.510 5.084 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccccc2C)cc1 170030182 WNHZQUDHAULLRA-NRFANRHFSA-N 448.544 5.250 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2cccc(C)c2)c1 170036048 KYDIBFDJHQDUHL-AREMUKBSSA-N 441.527 5.496 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2)c1 170047091 SFFXOXWPVHKFCJ-DEOSSOPVSA-N 427.500 5.567 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@@H]1c1c[nH]c2ccccc12 170075731 JOPPFQLJVPWIPN-SANMLTNESA-N 436.511 5.578 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccccc2C)cc1 170088673 MLXDVDDJRVYZAC-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 170150182 AEXUKNHYOJDMKX-QHCPKHFHSA-N 435.564 5.761 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1ccc(OCC(C)C)cc1 170167193 TXZHKDFCHIHFPQ-QHCPKHFHSA-N 437.536 5.027 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1cccnc1)c1ccc2c(c1)CCCC2 170184433 TUFXHSKCFYLKCN-QHCPKHFHSA-N 446.453 5.022 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2cccnc2)cc1Cl 170187740 DCAVFXRHQHZBSN-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccncc2)cc1 170201187 ZFLVWNIEYDPONT-VWLOTQADSA-N 434.495 5.580 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1ccncc1)c1ccc2c(c1)CCCC2 170207021 XLFSRZCZQFIWES-QHCPKHFHSA-N 446.453 5.022 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccccc1 170233131 JASQPNSAFTUUPP-DEOSSOPVSA-N 435.564 5.798 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@H]1c1ccc(C(C)C)cc1 170245716 CUELNKLCZOFPQY-OAQYLSRUSA-N 441.955 5.769 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2F)cc1 170249423 PSOUAOPDQLNWCB-DEOSSOPVSA-N 445.490 5.706 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@H]1c1c[nH]c2ccccc12 170255281 VGODHUZDGBALIT-XMMPIXPASA-N 446.547 5.678 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccc(O)c2)cc1Cl 170259506 PKQWTUOBIZSZDG-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@H]1c1ccc(CC)cc1 170268308 RONMKIDVNXTTSM-XMMPIXPASA-N 435.564 5.806 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccc2C)cc1OC 170271441 CIGFKFZLAVLZON-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccco2)c1 170285588 JXHVKCKTYUUEMU-DEOSSOPVSA-N 427.500 5.558 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@H]2c2ccco2)c1 170287178 LTWXSTWCGQHUQM-DEOSSOPVSA-N 439.467 5.614 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccc(C)o2)c1 170304747 FUNRGOFIPYWONA-HSZRJFAPSA-N 447.487 5.005 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(C)o2)c1 170305072 KALJBJQTFOPINP-QHCPKHFHSA-N 442.471 5.031 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2sccc2C)c(C)c1 170313463 NFIBUODKVRDKGG-FQEVSTJZSA-N 437.492 5.296 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1sccc1C 170318743 KIQCMEXEUYASHV-HXUWFJFHSA-N 427.566 5.470 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cccc(OCC)c2)c1 170363214 YPIUDAQGHAFLNZ-QFIPXVFZSA-N 449.528 5.328 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(CC)cc2)ccc1OC 170439746 OFDZTVMXFRIRPH-XMMPIXPASA-N 437.536 5.172 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)ccc1O 170464908 KSOZFKLIJHVJBK-HXUWFJFHSA-N 443.927 5.268 30 10 IKEE COc1cc2sc(N3C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]3c3cccs3)nc2cc1C 170477522 QDNRXXCSZJVKHW-KRWDZBQOSA-N 442.562 5.190 30 10 IKEE CCN=C(Nc1nc2c(OCC)cccc2s1)Nc1nc2c(OCC)cccc2s1 195987246 GGAVGBDCEZJRBP-UHFFFAOYSA-N 441.582 5.603 30 10 IKEE CCOC(=O)c1c(N=Cc2cc(N=Nc3ccccc3)ccc2O)sc(C(C)=O)c1C 254520346 MZTNGDZVIGBGPT-UHFFFAOYSA-N 435.505 6.307 30 10 IKEE CCCCN1C(=O)/C(=C2\Sc3ccccc3N2CC)SC1=Nc1cccc(O)c1 254905847 QOLWMZKVRGKFRI-CUCKYGFWSA-N 425.579 5.557 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1Nc1ccc(Br)cc1C#N 312150739 KEQYIIRCMFSSJW-NZSAHSFTSA-N 434.378 5.301 30 10 IKEE Cc1ccc([C@H]2C(c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2c2ccc(C#N)cc2)o1 526488795 CCWRSEUDPQDCJI-FQEVSTJZSA-N 425.271 5.824 30 10 IKEE CCOc1cc(/C=N\n2c(C)nnc2SCc2ccccc2)cc(Cl)c1OC(C)C 526799169 HDMRFSMSHASOIX-CFRMEGHHSA-N 444.988 5.600 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccc(C(C)C)cc1 526812661 GSHWTACTPCMSID-MYYYXRDXSA-N 427.017 6.572 30 10 IKEE Fc1cccc(CSc2nncn2/N=C\c2ccc(OCCCc3ccccc3)cc2)c1 526824893 ZGUSLAOYSVGCCT-QRQIAZFYSA-N 446.551 5.603 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(NC(=O)Nc3ccc(C)c(C)c3)CC2)c1 586088378 HIISJNPPKFDZLA-UHFFFAOYSA-N 448.611 5.567 30 10 IKEE CCOc1ccc(C(=O)C[C@H]2SC(=Nc3ccc(-c4ccccc4)cc3)NC2=O)cc1 606657490 RLGGSHCUTDJEHS-HSZRJFAPSA-N 430.529 5.244 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)C(C)(C)C1 698423538 HLTKCVYNMAWKGJ-RUZDIDTESA-N 443.588 5.808 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCCCC12CCCC2 698441627 BLMATSSJEMSPDD-QFIPXVFZSA-N 433.390 6.587 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@H](C#N)c1cccc(Br)c1Cl 706499397 LKYNLXLKDTWPLR-KRWDZBQOSA-N 435.749 6.104 30 10 IKEE CCCCCCCCCC(=O)c1ccc(I)c(Br)c1 721339772 NVKZPIBOKQIDQV-UHFFFAOYSA-N 437.159 6.377 30 10 IKEE CC(C)=NNc1nc2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)cc2s1 953082798 WDUWPZKVWUTSCF-LLVKDONJSA-N 437.352 5.817 30 10 IKEE Cc1ccc(-c2nc(NN=Cc3ccc(Br)cc3)sc2-c2ccccc2)cc1 1084311922 UTOZXQYVIRPLCL-UHFFFAOYSA-N 448.389 6.994 30 10 IKEE O=C1/C(=C/C=C/c2ccccc2)S/C(=N\N=C/c2ccc(O)cc2)N1Cc1ccco1 1554646104 HXFADCGQJDCLMI-SUEQWXEVSA-N 429.501 5.048 30 10 IKEE COc1ccc(CCN2/C(=N/c3ccc(C)cc3)S[CH][C@@H]2c2ccc(F)cc2)cc1OC 1614592993 AEDLIWIKAWCREA-WNMDNWPKSA-N 449.571 6.333 30 10 IKEE O=C1/C(=C\C=C\c2ccco2)S/C(=N/c2cccc(Cl)c2)N1c1cccc(Cl)c1 1614805050 GTPLHNPPPHNSDI-RSEREEBOSA-N 441.339 6.951 30 10 IKEE N#CCc1ccc(-c2ccc(OC(F)(F)F)cc2)nc1-c1ccc(OC(F)(F)F)cc1 1848361891 PPHAQBJWHNUIGP-UHFFFAOYSA-N 438.327 6.279 30 10 IKEE N#Cc1ccccc1NC(=O)c1nn(-c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)c1Cl 1859414411 GVQHOBXFJHGFQU-UHFFFAOYSA-N 443.850 5.225 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(O)cc2)cc1 1862390013 SUZGNOIUQMORCT-XMMPIXPASA-N 433.548 5.646 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2ccc(OC)c(O)c2)cc1 1862395882 APBLDBBGQGOKFQ-QMHKHESXSA-N 437.536 5.120 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2c(F)cccc2Cl)cc1 1862397178 NZOYVFNLNHDPAE-NRFANRHFSA-N 429.919 5.808 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1cccc2ccccc12 1862461029 VVXLZKCOVBEYDU-OAQYLSRUSA-N 425.406 5.245 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862488733 HLIFIMGWDVJYDR-VWLOTQADSA-N 443.518 5.783 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccccc2C)c1 1862490356 UBFGPXNOMKROFY-RUZDIDTESA-N 443.518 5.572 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862533942 PHYAFRSUVFCLGZ-RUZDIDTESA-N 441.527 5.426 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccccc1C 1862687283 IPSPQSFQALMQHL-XMMPIXPASA-N 435.564 5.942 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@H]2c2cccc(C)c2)cc1 1862687303 IUQRFSRXZOPGMR-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccccc2C)cc1 1862687940 RYIGKBAXMNFKKN-HOYKHHGWSA-N 427.500 5.343 30 10 IKEE O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1cccc2ccccc12)c1ccc(-c2ccccc2)cc1 1862727518 GUXSDPFHVARILK-AREMUKBSSA-N 449.506 5.077 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(C(C)C)c(C)c2)=C(c2ccc(Br)cc2)C1=O 1863200153 HVYXWWZFACCXGL-UHFFFAOYSA-N 439.353 5.259 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Cl)cc2Cl)=C(c2cc(Cl)ccc2Cl)C1=O 1863390221 BVSSEPYNLCZALG-UHFFFAOYSA-N 442.129 5.678 30 10 IKEE COc1cccc([C@H]2c3ccccc3CCN2c2cc(Nc3cccc(C#N)c3)nc(C)n2)c1 1868466705 ACJAXOLEJRBEEW-NDEPHWFRSA-N 447.542 5.561 30 10 IKEE COc1cccc(-c2nc(Nc3ccc(C#N)cc3)cc(N3CC[C@H](c4ccco4)C3)n2)c1 1868516094 MSCPGFBBNYLCKE-FQEVSTJZSA-N 437.503 5.354 30 10 IKEE CC(C)(C)c1ccc(-n2nnc(C#N)c2NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 1870140951 SAJNKFKHMZRPGW-VZUCSPMQSA-N 440.334 5.395 30 10 IKEE N#Cc1ccc(COc2cn(Cc3ccco3)c(CSc3ccccc3)cc2=O)cc1 1870232821 LDUAALNJOLWKGC-UHFFFAOYSA-N 428.513 5.233 30 10 IKEE N#Cc1ccc(COc2cn(Cc3ccccn3)c(CSc3ccccc3)cc2=O)cc1 1870233204 YFEPCHLBWHPDDE-UHFFFAOYSA-N 439.540 5.035 30 10 IKEE CCCCCCCOc1cn(CCCCCC)c(CNc2ccccc2C(C)C)cc1=O 1870839211 AEKRXQVNOJCGPJ-UHFFFAOYSA-N 440.672 7.513 30 10 IKEE C#CCOc1cn(Cc2ccccc2C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871007356 YHTYZTLSQOXCRM-UHFFFAOYSA-N 449.554 5.573 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)cc2Cl)c(=O)cc1CNc1cccc(C)c1C 1871250315 XTWPZQWFGYRRSQ-UHFFFAOYSA-N 443.374 6.149 30 10 IKEE C=CCOc1ccc(C(=O)Nc2ccc3oc(C(=O)c4ccc(C)cc4)c(C)c3c2)cc1 1871357956 CBTQTTCSQWPTHR-UHFFFAOYSA-N 425.484 6.098 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OC(=O)c4ccc(C)c(C)c4)cc(C)c3C2=O)c1OC 1871372859 OZLYGFPHJGTWRH-QRVIBDJDSA-N 444.483 5.464 30 10 IKEE Cc1c(OC(=O)c2ccc(-n3cccc3)cc2)ccc2c1O/C(=C\C=C\c1ccccc1)C2=O 1871383995 JXGWDDJIYOBNBD-GBYMPPBLSA-N 447.490 6.177 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(C(C)C)cc2)C3=O)c1 1871386958 AVNQZBSTQCPWGI-MYYYXRDXSA-N 442.511 6.353 30 10 IKEE Cc1c(OC(=O)c2ccc(OC(C)C)cc2)ccc2c1O/C(=C\c1cccc(F)c1)C2=O 1871387887 DDPHKRWSLAQAMX-UCQKPKSFSA-N 432.447 5.757 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2C)C3=O)c1 1871390215 LCUVZDMLGALMGH-UCQKPKSFSA-N 442.467 5.454 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871411148 LKGUVFFLEOIVPQ-SUVVMJBMSA-N 431.488 5.481 30 10 IKEE Cc1cc(C)c(COc2ccc3c(c2)O/C(=C\c2ccccc2Br)C3=O)cc1C 1871417804 RICPWDLVPHFCCW-MSXFZWOLSA-N 449.344 6.570 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 1871429013 DSCKIJIUCWQFIT-FYYJVHHASA-N 440.511 6.031 30 10 IKEE CCCCCCCCCCN=c1nc(N2CCC[C@H](C)C2)[nH]c(=Nc2cccc(C)c2)[nH]1 1871650640 GWQZIWLUNSGILF-QFIPXVFZSA-N 438.664 5.556 30 10 IKEE C=CCN=c1nc(N(CCCC)CCCCCC)[nH]c(=Nc2ccc(F)c(Cl)c2)[nH]1 1871654048 IAHZSVBEAIZDGC-UHFFFAOYSA-N 434.991 5.036 30 10 IKEE C=CCN([C@H](C)C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)S(=O)(=O)c1ccc(C)cc1 1872322137 OCGZXWPXPFLESM-HXUWFJFHSA-N 442.625 5.446 30 10 IKEE C[C@H](c1ccccc1)N1C[C@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)CC1=O 1872767140 SZPKFCCPRCDWIE-XFQXTVEOSA-N 449.963 5.249 30 10 IKEE COc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)c(OC)c1 1872772448 DHZVLHJGBUPLRL-XYJBSGBBSA-N 446.572 6.014 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(Br)cc3)n2)cc1F 1872775113 KDPYCOJFFMSYBX-HNNXBMFYSA-N 445.313 5.139 30 10 IKEE N#C[C@@H](C(=O)c1cccc(Oc2ccccc2)c1)c1nc(-c2ccc(Cl)s2)cs1 1872789360 GWBLMFWKUBJHHO-KRWDZBQOSA-N 436.945 6.807 30 10 IKEE C=CCc1ccccc1OCc1ccc(C(=O)Nc2ccc(C)cc2Br)cc1 1872859468 RTWUUDJFSOSILI-UHFFFAOYSA-N 436.349 6.317 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2C)n1/N=C/c1ccccc1Cl 1874250339 YGUVYCNJLNKUBO-MFKUBSTISA-N 441.000 5.802 30 10 IKEE C=CCSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1cn(C)c2ccccc12 1874258714 FIEAZMMYASFPES-WGOQTCKBSA-N 445.592 5.462 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(COc2ccc(Cl)cc2)nnc1SC 1874262795 QWIGTYNATJICJH-ZMOGYAJESA-N 438.940 5.276 30 10 IKEE Cc1ccc(CSc2nnc(Cc3cccc4ccccc34)n2/N=C/c2ccc[nH]2)cc1 1874268371 UBFKDOWQBUBLRN-OGLMXYFKSA-N 437.572 5.833 30 10 IKEE COc1cccc(CCc2nnc(SCc3ccccc3C)n2/N=C/c2ccccc2)c1 1874308154 IWBZFLNWCJHWFG-OVVQPSECSA-N 442.588 5.555 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(Cl)cc3)n2/N=C/c2ccccc2C)c1 1874336985 QQWUKGIPDYYIQA-JVWAILMASA-N 447.007 6.314 30 10 IKEE Oc1ccc(/C=N/n2c(Cc3ccc(Cl)cc3)nnc2SCc2ccccc2)cc1 1874342271 IBHUXTOOJUFTME-MFKUBSTISA-N 434.952 5.402 30 10 IKEE Cc1cccc(/C=N/n2c(CCOc3ccccc3)nnc2SCc2cccc(F)c2)c1 1874344608 WFSMZQAPHRLCFO-WPWMEQJKSA-N 446.551 5.522 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OC)cc2)n1/N=C/c1c(F)cccc1Cl 1874349466 MSQYIBJYLANANK-WYMPLXKRSA-N 430.936 5.220 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1cccc(OC)c1OC 1874367257 UFSLHUNKWJXPKF-FSJBWODESA-N 428.945 5.166 30 10 IKEE COc1cccc(/C=N/n2c(Cc3ccc(C)cc3)nnc2SCCc2ccccc2)c1 1874389279 LWHCGUHCRNXJFU-ZXVVBBHZSA-N 442.588 5.403 30 10 IKEE CCCSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1cc(Br)ccc1F 1874389867 JPLBIUJFDFDZQG-YDZHTSKRSA-N 447.377 5.463 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc4ccccc34)n2/N=C/c2ccccc2)cc1 1874390288 FYXMMQBAGXFAGK-VUTHCHCSSA-N 448.595 6.505 30 10 IKEE CCc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2cccc(F)c2)cc1 1874406509 LIZCYGCDHIAHRK-WPWMEQJKSA-N 436.600 6.277 30 10 IKEE Clc1ccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccco2)cc1Cl 1874409968 UTUSJUIXRZKYDW-ZMOGYAJESA-N 449.407 6.475 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2-c2ccccc2)cc1 1874429342 FYBCHQFFYGNSOH-OGLMXYFKSA-N 438.531 6.412 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2[C@@H]2CCCO2)cc1 1874449580 GOCOUGBUJKPNJQ-PGLVWIQMSA-N 426.973 5.520 30 10 IKEE CCCc1nnc(SCc2cccc(F)c2)n1/N=C/c1cccc(Br)c1 1874503316 BOZXBPZGMOCVIC-WSDLNYQXSA-N 433.350 5.307 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)c1 1874580801 HDVRYHYJPSMIAP-BJMVGYQFSA-N 426.871 5.971 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccccc2OCc2ccc(Cl)cc2Cl)c1C 1874587186 ZJDAPRRHYGURHX-ZRDIBKRKSA-N 439.382 7.702 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1OCc1ccccc1F 1874591677 WQJXNHDNYCXUDV-FMIVXFBMSA-N 431.290 6.616 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc([N+](=O)[O-])c1OCc1ccccc1 1874612399 SLLIAFSASPCIEI-VAWYXSNFSA-N 437.879 6.122 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OCc1ccc(Cl)cc1Cl 1874620302 SEYGSYCZTFXMKB-YCRREMRBSA-N 445.317 6.925 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 1874624906 BZZLBPWCWHQIEQ-NYYWCZLTSA-N 441.842 5.871 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(OC)c1OCc1cccc(F)c1 1874626121 NHCSCJLIPXLUDW-RMKNXTFCSA-N 428.406 5.596 30 10 IKEE CCCCCCC(=O)Oc1cc(/C=C/C(=O)c2cc(OC)ccc2OC)ccc1OC 1874706398 FSZLPKNPZDAFHQ-JLHYYAGUSA-N 426.509 5.484 30 10 IKEE O=C(Cc1ccc(Cl)cc1)Oc1cccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)c1 1874706667 UDCCLELHXUEBHS-UXBLZVDNSA-N 434.875 5.155 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cccc(OC(=O)c2cc3ccccc3n2C)c1 1874713437 WFZGXCOOPBLIGO-OUKQBFOZSA-N 439.511 5.919 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc1OC(=O)c1ccncc1 1874715175 HBSMLOWYUOFYSZ-GQCTYLIASA-N 437.879 5.176 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2cccc(OC)c2)CSc2nnc(C(C)C)n21 1874851746 GZPGRUIGAQOJHO-HXUWFJFHSA-N 430.618 5.472 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(OC)cc2)CSc2nnc(CC(C)C)n21 1874888165 WKXQBKWRDAPMQU-NRFANRHFSA-N 444.645 5.547 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(OC)c(OC(=O)[C@@H](C)c2ccccc2)c(OC)c1 1875118602 FPIYKGVMGMGZHS-JJJPLKNQSA-N 446.499 5.318 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccco2)c(Br)c1)c1cccc(Cl)c1 1875121417 OKUXHHBSZNWKIZ-SOFGYWHQSA-N 431.669 5.811 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)cc2F)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 1875126480 KNZAQKONGOLVOK-XLUWADSXSA-N 443.789 5.642 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)cc(Cl)c1OC(=O)C1CCC1 1875145423 LIBYABYENVXWSW-MDZDMXLPSA-N 428.912 5.657 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OC(=O)[C@H]1CCCO1 1875148287 ACFQLSMGCWHBLI-JYNAJPCDSA-N 442.939 5.627 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC(=O)C(F)(F)F 1875149285 IDGDBYFEFISBLD-MDWZMJQESA-N 446.465 6.085 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(OC)c1OC(=O)CCCC 1875154385 BOIKPOHQLJGGIJ-WUKNDPDISA-N 428.528 6.569 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)ccc1OC(=O)c1ccco1 1875165934 HSPRYEVCOQRLGQ-FNORWQNLSA-N 447.270 5.719 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)cc3F)cc2)c1C 1875168581 KNISMLCNFNPVCI-KPKJPENVSA-N 434.482 6.243 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2Cl)cc1 1875175233 FMOLTKVGUVCQQP-AWNIVKPZSA-N 434.919 6.471 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)c(F)c3F)c(Cl)c2)cc1C 1875175309 JDHQEUBYVZKSKZ-RUDMXATFSA-N 444.836 6.489 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)ccc1OC(=O)C(C)(C)C 1875181811 YRDGWBRPQQBGEB-CSKARUKUSA-N 430.928 5.903 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc(Cl)c1OC(=O)C(C)(C)C 1875184869 VJSNTXUXLKFCRC-ZRDIBKRKSA-N 442.983 6.802 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@H](C#N)[C@H]1CCCCN1C(=O)OC(C)(C)C 1880102214 RYFIDYBTXUMOOW-WOJBJXKFSA-N 429.561 5.105 30 10 IKEE C=C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)(c1ccccc1)[C@H](C)C(=O)O 1927433883 GVVGJRHCGZIHGV-DNOBIOAJSA-N 427.500 5.327 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]12CCC[C@@H](CC1)N2C(=O)OC(C)(C)C 1951094840 GLZKWXSUMLIJMQ-JCYRPKCISA-N 428.617 5.450 30 10 IKEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1999929751 DHVJWQOQVQTHDT-HXOBKFHXSA-N 449.617 5.415 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@H](C#N)[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2017960062 ZNKYPRSLIFPLPG-AEFFLSMTSA-N 449.617 5.413 30 10 IKEE Cc1cc(Br)c([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)s1 2029268024 PGFSSTZYYLHCIC-HNNXBMFYSA-N 441.778 6.479 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)ccc1O[C@@H](C)C(=O)N(C)C 2040457308 LRKMWQUIXUIRLR-AWEZNQCLSA-N 436.335 5.144 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2)SC(=Nc2ccccc2)N1[C@@H]1CCCc2ccccc21 2040469915 TWKSTXVZGLYRBY-HSZRJFAPSA-N 444.987 7.022 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(Cc2ccc(Cl)c(Br)c2F)C1 2047954811 WBPYMNNNOBQRQS-GOSISDBHSA-N 431.733 5.325 30 10 IKEE C=C(C)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@H](O)[C@H](O)C[C@@]34C)[C@H]12 2054357185 OESLKRXCBRUCJZ-SIZQVWDJSA-N 442.728 6.996 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@H](NC(=O)OC(C)(C)C)C1(C)C 2066216283 AEAXVAXWPQMYLV-UUOWRZLLSA-N 445.560 5.022 30 10 IKEE C=CC[C@H](C)[C@H](NC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071357639 RCYVRQRLGDFDDD-NUKCWJJBSA-N 431.576 5.678 30 10 IKEE CC#CCCCC[C@H](NC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2075373685 RBTMCMVXTTWONQ-MHZLTWQESA-N 427.588 6.689 30 10 IKEE Cc1ccc([C@H](C2CCC2)n2nc(C(C)(C)C)c(C#N)c2I)c(O)c1 2079032152 YESXIXJLFHOYCX-KRWDZBQOSA-N 449.336 5.060 30 10 IKEE CC(C)[C@H](c1ccc(C2CC2)cc1)n1nc(C2CCC2)c(C#N)c1I 2079036347 UMJUWLWHYIFEEH-HXUWFJFHSA-N 445.348 5.750 30 10 IKEE CC(C)(C)[C@H](c1ccc(C2CCC2)cc1)n1nc(C(F)(F)F)c(C#N)c1Br 2079986467 UCEZBUUONGAZOL-KRWDZBQOSA-N 440.307 6.439 30 10 IKEE C=CCCCCCCCCCC(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2086261092 HVMATQVQODIBFO-XMMPIXPASA-N 444.660 6.278 30 10 IKEE C[C@@H]1CCCN(c2cc(Br)cc(C#N)c2)[C@H]1CCCNC(=O)OC(C)(C)C 2174807935 IHZGLONMUKDPGK-BEFAXECRSA-N 436.394 5.231 30 10 IKEE CCCN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cc(Br)cc(C#N)c1 2174815846 XTUOTAUYJXOMSI-INIZCTEOSA-N 436.394 5.184 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)[C@H]1C[C@H]1C1CCOCC1 2200300915 YNUSDLDFJMFZHR-GBESFXJTSA-N 435.362 5.145 30 10 IKEE C=CCCCCC[C@@H](O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229099774 PVBZGDGURJGAIL-RTBURBONSA-N 426.395 5.382 30 10 IKEE C#CCCCC[C@@H](NCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237403920 AHDHDOSHEDBPJI-UXHICEINSA-N 437.422 5.057 30 10 IKEE CC#CC[C@@H](OCCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2262854756 AQDBXKMFVSQGCJ-AREMUKBSSA-N 429.560 5.665 30 10 IKEE C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2267583507 SPHZBTDNIFFTQB-LJQANCHMSA-N 447.409 5.451 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)CC[C@@H](CC)NC(=O)OC(C)(C)C 2296217199 RQZKVYCLPLNIPX-UXHICEINSA-N 437.422 5.252 30 10 IKEE CCCCCCCCOc1ccc(C=C2SC(=S)N([C@H](CCC)C(=O)O)C2=O)cc1 2296266087 UUJHKKOKSMAUKB-LJQANCHMSA-N 449.638 5.880 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1CC[C@H](O)C#Cc1ccc(Br)cc1 2296275093 XTDPNFWENIZOPP-MISYRCLQSA-N 436.390 5.025 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1CCC(=O)C#Cc1ccc(Br)cc1 2296275743 ADIIVGJFCWPCTA-PXNSSMCTSA-N 434.374 5.233 30 10 IKEE CN[C@@H](C#Cc1cccc(Br)c1)c1c(C)cccc1NC(=O)OC(C)(C)C 2296281258 JPEYUQKBURQHND-SFHVURJKSA-N 429.358 5.417 30 10 IKEE Cc1c(NC(=O)OC(C)(C)C)ccc([C@@H](N)C#Cc2ccc(Br)cc2)c1C 2296309101 QLYDLSHERASHER-IBGZPJMESA-N 429.358 5.464 30 10 IKEE COCCN1C(=O)C(=Cc2ccc(-c3ccc(C(C)=O)cc3)o2)SC1=Nc1ccccc1 2313609913 OIOFWBZESKJEDA-UHFFFAOYSA-N 446.528 5.400 30 10 IKEE C=CCC(CC=C)[C@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2316714362 GJMMUXPYNGPZBW-RPLLCQBOSA-N 441.660 5.292 30 10 IKEE CC(C)(C)[C@@H](CS)COCc1cc(I)ccc1Br 2319156706 GLMJMJOWZZEWRF-LLVKDONJSA-N 443.188 5.162 30 10 IKEE COc1cc(C=NNc2oc(-c3ccccc3)nc2C#N)ccc1OCc1ccc(C)cc1 2320833997 VNLBDPZUJGCOFZ-UHFFFAOYSA-N 438.487 5.555 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCc4ccc(Cl)cc4Cl)c3C)C2=O)cc1 2321779918 UBNMARSVOPWNOM-UHFFFAOYSA-N 441.310 6.506 30 10 IKEE Cn1cc(C=C2Oc3c(ccc4c3CN(Cc3cccs3)CO4)C2=O)c2ccccc21 2321968134 FAPSTXHTMBQVQQ-UHFFFAOYSA-N 428.513 5.208 30 10 IKEE CCCOC(=O)COc1ccc(Br)cc1C=CC(=O)c1ccc(OCC)cc1 2322549489 JQOHFSULTREEQX-UHFFFAOYSA-N 447.325 5.076 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C)cc2C)c1OCC(=O)Nc1ccc(C)cc1C 2322575334 TXNVHHSXPHXWQD-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(C)cc2)c1OCc1ccc(Cl)cc1 2322593568 KOXDVDJKDSFALH-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE COc1ccc(OC)c(C=C2Oc3c(ccc(OC(=O)c4ccccc4C)c3C)C2=O)c1 2322681251 JGEDWYGLDKDKFB-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2cccc3ccccc23)c1OCc1ccccc1 2322724498 JQYDEBGPWQRMTA-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE Cc1cc(OC(=O)Cc2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1ccc(Cl)cc1)O2 2322899742 ACLSPMOQLQCXEW-UHFFFAOYSA-N 439.294 6.066 30 10 IKEE O=C(C=Cc1cccc(OCc2ccccc2)c1)C(=O)N(Cc1ccccc1)c1ccccc1 2323230862 OGOOSSQHTPYOEB-UHFFFAOYSA-N 447.534 6.081 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)C=Cc1ccc(C(C)C)cc1 2323261664 DPTSMBJEYBHQEQ-VWLOTQADSA-N 426.645 6.071 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)cc(Br)c1OC 2323532405 VPOABGRCPORSID-UHFFFAOYSA-N 430.125 6.059 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OCc3ccccc3F)c(OC)c2)cc1C 2323561039 OWJHCGGIZJZQPO-UHFFFAOYSA-N 436.479 5.635 30 10 IKEE CCCCC1CCC(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(OC)cc2)C3=O)CC1 2323652035 GPXWTXAXRNIEGG-UHFFFAOYSA-N 448.559 6.522 30 10 IKEE CCCOc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(F)c2)C3=O)c1 2323831755 ANDLBVYJNFWOQE-UHFFFAOYSA-N 432.447 5.758 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(C=CC(=O)c3ccc4c(c3)OCO4)cc2Cl)c1 2324087268 PKRJSWJWOIAVQM-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE C=C(C)COc1c(Br)cc(C=CC(=O)c2ccc3c(c2)OCO3)cc1OC 2324097410 PZRCYGCPPPOXGL-UHFFFAOYSA-N 431.282 5.037 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OCc1cc(C)ccc1C 2324097530 OLFDPBVURORXKX-UHFFFAOYSA-N 430.500 5.906 30 10 IKEE C=CCOc1c(Cl)cc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)cc1OC 2324319121 CIQNTBAEEZJCLD-UHFFFAOYSA-N 427.711 6.125 30 10 IKEE CCOc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC 2324490587 AEGNWCUNUBRKJS-SFHVURJKSA-N 438.936 5.760 30 10 IKEE C=CCOc1ccc(C=CC(=O)c2ccc(OCC)cc2OCC)cc1Br 2324493959 AVUTYSMDAPDBEM-UHFFFAOYSA-N 431.326 5.707 30 10 IKEE Cc1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)c1C 2324498766 MFFLCKBLBYBUHE-KRWDZBQOSA-N 447.918 5.979 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)NC3CCCCC3)cc2)cc1Cl 2324607191 PVRLEDVBGMMVQV-UHFFFAOYSA-N 427.928 5.072 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)cc(Cl)c1OCc1ccccc1 2324651362 XDOQFOCACWFYAD-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE COc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)cc1OC 2324706232 DDDRMZAUJSVIFB-IBGZPJMESA-N 448.544 5.342 30 10 IKEE Cc1cc(I)ccc1NC(=O)C(=O)C=Cc1ccc(C(C)(C)C)cc1 2325506631 ZOESOFZRONRZKG-UHFFFAOYSA-N 447.316 5.118 30 10 IKEE CCCCOc1ccc(C=Nn2cnnc2SCc2cc(C)ccc2C)cc1OCC 2325653022 NKJBBPLXRBZYMI-UHFFFAOYSA-N 438.597 5.647 30 10 IKEE Cc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)CCCC4)c2)c(C)c1 2325701788 JMVVFTPKJNDNNT-UHFFFAOYSA-N 440.539 6.063 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(Cl)cc3)c2)cc1 2325710022 DTRMSRZGPXCADD-UHFFFAOYSA-N 448.946 6.807 30 10 IKEE COc1cccc(CCC(=O)Oc2cc(C=CC(=O)c3ccc(C)cc3C)ccc2OC)c1 2325735644 WYKHPYVANAHIAB-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cccc(OC(=O)CCCOc3c(C)cccc3C)c2)c1 2325740477 XPMRNPGNCAZIEL-UHFFFAOYSA-N 442.555 6.581 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cccc(OC(=O)COc2ccccc2)c1 2325763452 ZPTZGVZNQYNKIC-UHFFFAOYSA-N 436.891 5.538 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1N=Cc1ccco1 2325818339 CXMWOFPGPRKSTQ-UHFFFAOYSA-N 440.569 5.307 30 10 IKEE C=CCSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1ccc(F)cc1 2325913585 SDPAJBMSLXJGSF-UHFFFAOYSA-N 437.327 5.463 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1sccc1C 2326006681 MWIWCUKWNGEVGE-UHFFFAOYSA-N 447.029 5.863 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccc(C)cc1 2326072125 ALPQQLIYUZWXMQ-UHFFFAOYSA-N 441.000 5.802 30 10 IKEE Cc1nnc(SCc2ccccc2)n1N=Cc1ccc(OC(=O)c2cccs2)cc1 2326211886 ZKBFVSBVUJXVIW-UHFFFAOYSA-N 434.546 5.042 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1ccc(OC)c(O)c1Cl 2326415983 TXDJFGYYNJBYEO-UHFFFAOYSA-N 444.988 5.390 30 10 IKEE CCOc1ccccc1OCc1nnc(SC)n1N=Cc1c(Cl)cccc1Cl 2326795724 FZIJOXMZIZXBRA-UHFFFAOYSA-N 437.352 5.167 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2OCC)n1N=Cc1cccc(Cl)c1 2326832648 UVXWVVMZXONAJW-UHFFFAOYSA-N 442.972 5.460 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CC23CC4CC(CC(C4)C2)C3)nnc1SCC 2326900816 NGZBGURAXMYINV-UHFFFAOYSA-N 436.625 5.596 30 10 IKEE CSc1nnc(COc2cc(F)ccc2F)n1N=Cc1ccc(Cl)c(Cl)c1 2327410522 VOHUVWYKTHCPFI-UHFFFAOYSA-N 429.279 5.046 30 10 IKEE Fc1ccccc1CSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccco1 2327558071 SRXLOEWXIKTXSQ-UHFFFAOYSA-N 442.903 5.417 30 10 IKEE Fc1ccc(CSc2nnc(COc3ccccc3Cl)n2N=Cc2ccco2)cc1 2327619118 GPOYXLSXUAPGKK-UHFFFAOYSA-N 442.903 5.417 30 10 IKEE Cc1ccc(C=Nn2c(Cc3ccc(C)c(C)c3)nnc2SCc2ccccc2F)cc1 2329427896 LTXPDALJHRLIRB-UHFFFAOYSA-N 444.579 6.108 30 10 IKEE C=CCSc1nnc(CCc2ccccc2C)n1N=Cc1ccc(OCCCCC)cc1 2329499748 CKLAHXWPGCRRBB-UHFFFAOYSA-N 448.636 6.101 30 10 IKEE Clc1ccccc1CSc1nnc(COc2ccccc2)n1N=Cc1ccccn1 2329919343 ZFJDLRJXOUDSAD-UHFFFAOYSA-N 435.940 5.080 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)cc3)n2N=Cc2cccc(F)c2)cc1 2329936201 RITBXXHNMDHJEQ-UHFFFAOYSA-N 430.552 5.799 30 10 IKEE Clc1ccc(CSc2nnc(-c3cccs3)n2N=Cc2ccc[nH]2)c(Cl)c1 2330607506 GQOJAQAZQWNMJY-UHFFFAOYSA-N 434.377 5.816 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OC(=O)CC(C)C 2330635018 QYKLTCPNZAVVKQ-UHFFFAOYSA-N 431.872 5.495 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(F)cc1 2330641170 ZLFCFCDSXCSREA-UHFFFAOYSA-N 435.407 5.248 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccccn1 2330820989 OZNDEUPNSUXVRQ-UHFFFAOYSA-N 442.298 5.902 30 10 IKEE Cc1cccc(C=Nn2c(CC(C)(C)C)nnc2SCC(=O)Nc2ccc(C)cc2C)c1 2330880151 DTCDNUYBTXUWQJ-UHFFFAOYSA-N 449.624 5.405 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)CCc1ccccc1C 2331081496 QQHBDHRMARTMMW-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2ccc(F)cc2)nnc1C(F)(F)F 2331116304 LXVWYIJDOOTVBE-UHFFFAOYSA-N 436.434 5.175 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(OCC)cc2)cc1OC 2331188466 HKEGKJHXUJCPNU-UHFFFAOYSA-N 444.955 6.519 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)cc2)c(C)c1 2331216153 PICGDNFCAABVCC-UHFFFAOYSA-N 444.487 5.393 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1N=Cc1sccc1C 2331319480 YWYTYJFCKGGDIQ-UHFFFAOYSA-N 441.626 5.220 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OC 2331350687 MAJDTGNBWDWHHM-UHFFFAOYSA-N 426.528 6.695 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)[C@@H](C)c2ccccc2)c([N+](=O)[O-])c1 2331362444 KRDGQGZLZNNUCD-SFHVURJKSA-N 445.471 5.517 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1sccc1C 2331424923 NOHZYHRQLXYDDP-UHFFFAOYSA-N 448.584 6.868 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)CCCSC 2331569581 XJDQXHRPNRVJOW-UHFFFAOYSA-N 446.515 5.647 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2ccc(Cl)cc2)nnc1C(C)C 2331706633 CXFXFVRXMNQRPZ-UHFFFAOYSA-N 426.973 5.794 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc(OC)c1OC(=O)C1CCC1 2331801436 SONPFQDBYQTEIY-UHFFFAOYSA-N 446.587 6.631 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(OC)c(Cl)c2)cc1OCC 2331832156 SVTALNBCAXXGRG-UHFFFAOYSA-N 437.319 6.002 30 10 IKEE SCCCCCCCCCOCc1ccc(Cl)cc1I 2365638230 NINJKJRGGJOMHC-UHFFFAOYSA-N 426.791 6.122 30 10 IKEE COC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)cc1 2419096 ZVAPNJYYKRPRSA-MYYYXRDXSA-N 442.511 5.966 30 10 IKEE COc1ccc([C@@H]2CC(=O)C3=C(C2)NC2=C(C(=O)c4ccccc42)[C@@H]3c2ccccc2)cc1 17098442 VXQQDPYJSPRWEC-UQBPGWFLSA-N 433.507 5.390 30 10 IKEE CCCOc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(OC(C)C)cc1)C2 21233485 MKMZJFXKLQVVJP-KNQAVFIVSA-N 433.548 5.267 30 10 IKEE CCOc1ccc(/C=C2\S/C(=N/c3ccncc3Cl)N(c3ccccc3)C2=O)cc1 39864552 NYEBAAZDDGJJNN-USXILQPXSA-N 435.936 5.942 30 10 IKEE C=CCN1C(=O)c2[nH]nc(-c3cc(Cl)c(C)cc3O)c2[C@@H]1c1ccc(OCCC)cc1 39914521 OLUKPSGTXZXSLP-QHCPKHFHSA-N 437.927 5.264 30 10 IKEE C=CCc1ccccc1OCCn1c([C@@H](C)NC(=O)Cc2ccccc2)nc2ccccc21 40194412 QIFWUWRHEZVATP-OAQYLSRUSA-N 439.559 5.264 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3c(ccc(OC/C=C/c4ccccc4)c3C)C2=O)c1 41436219 DCGUAYFPCBMHLS-WREQSARCSA-N 428.484 5.721 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN(Cc2ccc4c(c2)OCO4)C3)C1=O 41587936 BCHWOICQSXILQG-MYKKPKGFSA-N 441.483 5.000 30 10 IKEE Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/Nc2cc(Cl)ccc2Cl)cc1 59165752 ZSWWNHNLHMHTCX-YDZHTSKRSA-N 435.332 5.516 30 10 IKEE Cc1c(Cc2ccccc2)sc(/N=C/c2c3ccccc3cc3ccccc23)c1C(N)=O 59449648 RWKBUCOTRJBBGB-OCSSWDANSA-N 434.564 6.803 30 10 IKEE O=C1C[C@H](S/C(=N/c2ccccc2)NCc2ccc(Cl)cc2)C(=O)N1c1ccccc1 59489409 ZTZWNLMWYNSXRZ-NRFANRHFSA-N 449.963 5.183 30 10 IKEE CCCCCCCCCCCCCC[C@H](O)[C@H](O)[C@@H](CO)NC(=O)CCCCCCC 78976356 XQNJLWJVISBYSS-RMTZWNOUSA-N 443.713 5.637 30 10 IKEE CC[C@@H]1CSC(=Nc2ccccc2)N1C(=O)CSC(c1ccccc1)c1ccccc1 96576473 BKZAEAIZWWPNJV-HSZRJFAPSA-N 446.641 6.551 30 10 IKEE CCCCCCCCCCCCCCCCC[C@@H](C)OC(=O)c1ccc(C(N)=O)cc1 100333885 SYSPPNMMPCRQLZ-HSZRJFAPSA-N 431.661 7.592 30 10 IKEE CCCCCCCOc1c(Cl)cc(C(=O)Nc2nnc(SCC)s2)cc1Cl 101196559 DIIMNTFNNPCSBB-UHFFFAOYSA-N 448.441 6.558 30 10 IKEE O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCC/N=C\c1cc(Cl)cc(Cl)c1O 101645874 OTLMMIUGFKJGCC-AQHIEDMUSA-N 436.217 5.547 30 10 IKEE Cc1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1Cl 102533897 RGPZFPVPVVZFBS-AGGMBTAESA-N 448.862 5.183 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccc(N(C)C)cc2)cc1 169953725 OPVPUANUPKBTHC-HSZRJFAPSA-N 446.934 5.497 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2cc(F)ccc2F)c1 169971650 DLWIJCQEHFFGNU-HSZRJFAPSA-N 445.421 5.802 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cccc(OC(C)C)c1 169981071 FMMBNWURPDMKRY-QHCPKHFHSA-N 439.527 5.690 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@H]1c1cccs1)c1ccc(F)cc1 169986244 YIRYFRSKYXLFHY-QFIPXVFZSA-N 429.472 5.823 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2ccccc2C)c1 170037501 GGEJKPWQNYRDHA-XMMPIXPASA-N 443.499 5.185 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccccc2F)cc1 170071493 LCKAKJHOYHVPKL-VWLOTQADSA-N 448.453 5.633 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccccc2C)c1 170086264 UTFOTSNRMLDPKY-SANMLTNESA-N 449.506 5.940 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCc2ccc(F)cc2)o1 170102907 ULJSFZSTIWWKNB-OAQYLSRUSA-N 439.870 5.202 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1c1ccc(Cl)cc1 170106586 IJDDMYWRHUCOJL-SFHVURJKSA-N 444.339 6.146 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1ccc(OC)cc1 170116815 HONGLUMIUKSVCL-JOCHJYFZSA-N 449.503 5.219 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccs2)cc1C(C)C 170159119 UWFZFVFNWVUTHB-HSZRJFAPSA-N 447.556 5.971 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccs2)cc1 170159750 JHPZWUMORCROKU-QRQCRPRQSA-N 431.513 5.163 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccccn2)c1 170170233 KQMCPHJOWIOHHL-XMMPIXPASA-N 442.515 5.269 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccc(F)cc2)cc1C 170239001 XOUKFPYQUBMPHQ-DEOSSOPVSA-N 445.490 5.624 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccccc1F 170247927 WOQWAMRVSFGOMN-JOCHJYFZSA-N 435.426 5.065 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2C2CCCC2)cc1 170268633 VONOOQWKJQATDI-RUZDIDTESA-N 447.575 5.805 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccc2C)c1 170271545 HUPJDMMGAUAVNA-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccco2)c1 170279027 AKPWZALRQHMHIT-DEOSSOPVSA-N 443.499 5.340 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(Cl)ccc2C)[C@H]1c1ccco1 170284361 OOQVGFMIGSAAKV-NRFANRHFSA-N 437.879 5.341 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc(OCC(C)C)c3)=C(O)C(=O)N2c2cccc(F)c2)o1 170298912 RVHHLUJLBGTRAX-QHCPKHFHSA-N 449.478 5.545 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(C)o2)cc1 170303850 YFQVHWRTGMFEJW-HSZRJFAPSA-N 431.488 5.468 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1sccc1C 170319569 ZZVYDBVUQPPZHK-LJQANCHMSA-N 425.550 5.203 30 10 IKEE COc1cccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)c1 170430993 AGUPORYLTZGURZ-SFHVURJKSA-N 433.426 5.229 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1Cl 170469996 QTFZWKGOUKEKDC-NRFANRHFSA-N 425.956 6.071 30 10 IKEE CCCCCCCOc1ccc(C(=O)Oc2ccc(C=Nc3ccc(O)cc3)cc2)cc1 254744673 RUIZYAVMTZKBPC-UHFFFAOYSA-N 431.532 6.711 30 10 IKEE C=CCCCCC[C@@H](NCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 406251490 UBPNKKYNSHJMSW-GOSISDBHSA-N 425.411 6.583 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccc(OC(C)C)c2)cc1 526485290 FBGWMTKTVCHYNG-RUZDIDTESA-N 440.499 5.411 30 10 IKEE COc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2cccc(Cl)c2)cc1 526812776 LDZCXWBBXYMLGC-QQXSKIMKSA-N 448.979 5.705 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)Nc3ccc(CC)cc3)C2)c1 585879333 JJVJOMBYAKBNBO-DEOSSOPVSA-N 448.611 5.513 30 10 IKEE CCCCCCC(=O)NC1CCC(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 586509500 WIEGKYJECVHMBT-UHFFFAOYSA-N 436.401 5.097 30 10 IKEE CC[C@@H](C)c1cc(B2OC(C)(C)C(C)(C)O2)cc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 607718039 UVLSOCHWRZSFSV-QZTJIDSGSA-N 444.425 5.009 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(F)cc(Br)cc1F 689336370 IRPOILMUFFXEFZ-RDJZCZTQSA-N 433.337 5.237 30 10 IKEE C=CCN(C[C@@H](NCCC)c1c(F)cc(Br)cc1F)C(=O)OC(C)(C)C 689349302 FZAHXKQLPFSGDD-MRXNPFEDSA-N 433.337 5.191 30 10 IKEE CN(C)c1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)cc1 698460784 WMSCUQSXSTZVOX-IBGZPJMESA-N 430.346 5.521 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCN(C(=O)OC(C)(C)C)[C@@H]1C 698484405 OBBCGHIXIUYDLG-HOYKHHGWSA-N 429.561 5.418 30 10 IKEE CC(C)C[C@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Br)c2)C1 698496290 HXOLPEIYLOWPFC-VGOFRKELSA-N 435.406 6.689 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCCC[C@@H]1C(C)(C)C 698498462 TUOJXGQKKFAOKN-GCJKJVERSA-N 435.406 6.689 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 698831486 ZYGTTWACNZJKHC-WZONZLPQSA-N 433.524 5.249 30 10 IKEE C=CCCCCCN(C)Cc1nc(O)c2cc(Br)cc(Br)c2n1 1652546799 OEBNWNSXSJTKOQ-UHFFFAOYSA-N 443.183 5.039 30 10 IKEE Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)Cc3ccc4c(c3)CCCC4)cc(C)c2c1 1859657154 VANMRDOASIGFSV-UHFFFAOYSA-N 449.558 5.277 30 10 IKEE Cc1c(Cl)cccc1NC(=O)[C@H](C)Oc1cccc(NC(=O)c2cccc(C#N)c2)c1 1860132745 JBVROFAEILFOLB-INIZCTEOSA-N 433.895 5.178 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)c1ccc2nc(C(C)C)[nH]c2c1 1861448118 SZLVLJKEDMUKOU-AREMUKBSSA-N 442.648 5.842 30 10 IKEE CCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)/C=C/c1ccc(Cl)cc1Cl 1861559887 SDLGSBNZKZDQQR-XSEIIIHRSA-N 427.416 5.768 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(N(C)C)cc1 1862381314 XCLHABWWYPOGKP-IBGZPJMESA-N 433.335 5.048 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862393086 NJDOXSZPRDCTFR-JOCHJYFZSA-N 436.508 5.172 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccccc1C 1862411285 CYUGDYPNMGFGPT-JPYJTQIMSA-N 441.518 6.210 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccccc1F 1862411762 OJTSANJEYHILFN-OPAMFIHVSA-N 445.481 6.041 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CCCCC2)c1 1862433920 OIUQALAXIDLUBW-JOCHJYFZSA-N 439.939 5.650 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc(OCCC)c1 1862437724 XPYXTMYAZJXSFI-NRFANRHFSA-N 427.928 5.507 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2[C@@H](C)CC)cc1OC 1862439242 JZEITIQRTUTDSB-LHSJRXKWSA-N 443.927 5.124 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc(O)c2)cc1 1862474450 NRKOGAPNJBCFLY-AVRWGWEMSA-N 441.527 5.603 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862486773 LBIGWZJCADBIOW-VWLOTQADSA-N 429.560 6.081 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccccc2F)c1 1862490571 YYFJTGVFGCTIAB-QHCPKHFHSA-N 433.454 5.360 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2cccc(Cl)c2)c1 1862491085 LQJAMFWOTSKMEE-QHCPKHFHSA-N 449.909 5.874 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@H]1c1ccc(F)cc1F 1862516455 OLKKGIXESQRSDP-OAQYLSRUSA-N 429.463 5.132 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1cccc(Cl)c1 1862527240 SRWWFOJCARKCIR-SGTLLEGYSA-N 448.744 5.479 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@H]2c2ccccc2C)cc1 1862535010 ZFRUKTPOLPTDHW-DEOSSOPVSA-N 445.946 5.989 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(O)cc1)c1ccc2c(c1)CCCC2 1862544348 BFPHCWMKPCASLD-RUZDIDTESA-N 439.511 5.050 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)CCCC2 1862551023 OSJWZLKDRKQHBC-NRFANRHFSA-N 441.449 5.325 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C2CC2)cc1 1862583793 KCXGZCVASMIBGJ-HXUWFJFHSA-N 430.331 5.858 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862591449 ZILZVBSGMQLKAX-XMMPIXPASA-N 433.548 5.646 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1ccccc1 1862637411 YADJUXVGNHJVNR-XXBNENTESA-N 439.527 5.772 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C(C)C)cc1 1862658397 QBKWSCLVJPWGOT-VWLOTQADSA-N 442.559 5.673 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccc(C)c1 1862659680 CEMPHXMJDHOSAI-AHWVRZQESA-N 447.619 7.056 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2cccc(F)c2)cc1 1862661478 BZFPRVJVOUAFDS-BVZFJXPGSA-N 443.518 6.289 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1Cl 1862675074 AZUUEZNDCKFIDJ-AVRDEDQJSA-N 443.946 6.416 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(OCCC)cc1 1862707073 NIOBULUNKOELHV-QHCPKHFHSA-N 437.536 5.253 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2C(C)C)c1 1862723916 HOEBTBWXKCPUKU-DEOSSOPVSA-N 427.500 5.349 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccccc3Cl)C(=O)N(c3ccccc3C#N)C2=O)c1 1863037038 RQQJVOCQDFBNAA-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE N#Cc1ccc(N2C(=O)C(Nc3cc(Cl)cc(Cl)c3)=C(c3cccs3)C2=O)cc1 1863110627 YAWBULKQKPMJES-UHFFFAOYSA-N 440.311 5.323 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCC)=C(c2ccc(NC(C)=O)cc2)C1=O 1863545759 MDABSZDDQKTNTI-UHFFFAOYSA-N 441.616 5.255 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC[C@@H](C)O)=C(c2cccc3ccccc23)C1=O 1863582855 CTPLDTDTMBVHMN-HXUWFJFHSA-N 436.596 5.031 30 10 IKEE CCCCCCCCNC1=C(c2ccc(Cl)c(Cl)c2)C(=O)N([C@H](C)CC)C1=O 1863633762 BMVNTIOJEONUFQ-OAHLLOKOSA-N 425.400 5.822 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N1Cc2ccccc2C[C@H]1C(=O)O 1866342785 YUFHKEOVFBBZHH-SANMLTNESA-N 443.672 7.286 30 10 IKEE CC[C@@](C)(NC(=O)[C@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866989922 GJGBBXFMYDPYNA-NZQKXSOJSA-N 446.378 5.528 30 10 IKEE C=CCOc1cn(Cc2ccccc2Cl)c(CNc2ccc(C(F)(F)F)cc2)cc1=O 1870809994 GKIYZHNTQUVHJI-UHFFFAOYSA-N 448.872 5.746 30 10 IKEE C=CCOc1cn(CCCCCCCC)c(CNc2cc(NC(C)=O)ccc2C)cc1=O 1870812476 VACAVCOKHQIUNJ-UHFFFAOYSA-N 439.600 5.653 30 10 IKEE C=CCn1cc(OCc2cccc(C)c2)c(=O)cc1CNc1ccc(N2CCCCC2)cc1 1871070005 KAZSDDCKWXYQSB-UHFFFAOYSA-N 443.591 5.524 30 10 IKEE CCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(OCC)cc1 1871251022 JRRJDJJYMSIQQU-UHFFFAOYSA-N 431.536 5.110 30 10 IKEE COc1ccc(Oc2ccc(-c3nc(C)c(C(=O)Nc4cccc(C#N)c4)s3)cc2)cc1 1871278140 MPDMPLMSADYZFP-UHFFFAOYSA-N 441.512 6.043 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2c(F)cccc2Cl)C3=O)cc1C 1871372439 RHWBHKGVIPUZIG-UUYOSTAYSA-N 436.866 6.240 30 10 IKEE Cc1cc(OC(=O)c2cccc3ccccc23)cc2c1C(=O)/C(=C/C=C/c1ccccc1)O2 1871377763 CGRZMGMPXWQOBP-WQAFGEAQSA-N 432.475 6.540 30 10 IKEE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)cc1 1871388341 QKBKLFFVXUHLRU-QRVIBDJDSA-N 445.427 5.217 30 10 IKEE Cc1ccc(OCCCCOc2ccc3c(c2C)O/C(=C\c2ccccc2C)C3=O)cc1 1871405428 RAQYZIMRRUFHBX-ITYLOYPMSA-N 428.528 6.466 30 10 IKEE CCc1cccc(CC)c1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O 1871406477 IGLFPLNZLSRERT-VBHMAFOESA-N 447.556 5.895 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccc(C)cc4C)ccc3C2=O)cc1 1871411763 RCAYCTYNQKYJOO-APQFFPOMSA-N 441.527 5.888 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)CCCC 1871947350 YTCODLXMDNPKSU-GOSISDBHSA-N 435.417 5.109 30 10 IKEE CC(C)c1ccccc1O[C@H](C)C(=O)[C@H](C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1872760107 HODYVCGVZVVZKP-BEFAXECRSA-N 435.505 5.485 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(NC(C)=O)cc3)n2)cc1 1872762578 QTRSTJTYTSNQFG-JOCHJYFZSA-N 431.561 5.530 30 10 IKEE N#C[C@@H](C(=O)c1ccccc1C(=O)c1ccccc1)c1nc(-c2ccc(F)cc2F)cs1 1872766408 GJBOKUCZJUZKCO-FQEVSTJZSA-N 444.462 5.809 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)n2)c1C 1872780343 GEYJFXNINZSNFU-JRMCHAMMSA-N 431.517 5.842 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@@H](C#N)C(=O)COc2ccc(C)c(C)c2)n1 1872789191 ZZAANCGKQLTYBC-SFHVURJKSA-N 426.925 5.344 30 10 IKEE COc1ccc(/C=N/Nc2oc([C@H]3C[C@H]3c3ccccc3)nc2C#N)cc1Br 1873471041 VDWGDEHUZKLPGV-GAVIZYNASA-N 437.297 5.034 30 10 IKEE C=CCn1c(C(=O)Nc2ccccc2C(C)C)cc2c(NCCCN(CC)CC)ncnc21 1873626200 NSYMGAIRQGWDJF-UHFFFAOYSA-N 448.615 5.137 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)cc2C)cc2c(N(CCC)CCCC)ncnc21 1873659437 RDENSYLMJZWFFY-UHFFFAOYSA-N 439.991 5.848 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2C)n1/N=C/c1cc(C)ccc1O 1874250070 RNXYDBKFSUPIOM-MFKUBSTISA-N 436.581 5.163 30 10 IKEE CCCCOc1ccc(/C=N/n2c(COc3ccc(Cl)cc3)nnc2SCC)cc1 1874263455 ZGAGZKQDSKILOR-BUVRLJJBSA-N 444.988 5.684 30 10 IKEE C=C(C)CSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1cccc(Cl)c1 1874269836 QTBINGVQFYXUCS-CVKSISIWSA-N 432.980 6.226 30 10 IKEE CC(C)c1ccc(/C=N/n2c(CCc3ccccc3Cl)nnc2SCCCO)cc1 1874282683 UMOXPYJIQOGZHD-PCLIKHOPSA-N 443.016 5.197 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2ccccc2F)n1/N=C/c1ccco1 1874300252 DEFFPDHDXPVVTD-DHRITJCHSA-N 436.512 5.381 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CCCOc2ccccc2)nnc1SCC=C 1874317992 VWGOWCNNCPKSQC-NCELDCMTSA-N 434.565 5.015 30 10 IKEE COc1cccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2cccc(F)c2)c1 1874402256 PLUFWQWZCGKUEK-WPWMEQJKSA-N 446.551 5.386 30 10 IKEE Cc1ccsc1/C=N/n1c(CC2CCCCC2)nnc1SCc1cccc(F)c1 1874406578 NBLIMJVQGOJDRD-ZVHZXABRSA-N 428.602 6.084 30 10 IKEE O=[N+]([O-])c1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2F)cc1 1874416845 KUNFANRZJZENTM-MFKUBSTISA-N 447.495 5.091 30 10 IKEE Clc1cccc(/C=N/n2c(Cc3ccccc3)nnc2SCCc2ccccc2)c1 1874416914 OLVODYPKKNDJAG-NLRVBDNBSA-N 432.980 5.739 30 10 IKEE CCc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2cccc(Cl)c2)cc1 1874440708 PDJOMVCNRDEFBX-MFKUBSTISA-N 427.017 6.257 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2-c2ccco2)cc1 1874467782 BOHPERICFLICLY-WGOQTCKBSA-N 440.528 5.874 30 10 IKEE CC(C)Cc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(Cl)cc1Cl 1874487841 IPTTXCFUHSMEDQ-BHGWPJFGSA-N 437.371 6.097 30 10 IKEE C=CCSc1nnc(C2CC2)n1/N=C/c1ccc(OCc2ccccc2)c(OCC)c1 1874521533 XSICLUDVCKBSDE-PCLIKHOPSA-N 434.565 5.294 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C)n2/N=C/c2ccc(Cl)c(Cl)c2)c(C)c1 1874534045 OXHCURLOKMQUBE-AUEPDCJTSA-N 448.379 5.123 30 10 IKEE Cc1ccccc1CCc1nnc(S)n1/N=C/c1cccc(OCc2ccccc2)c1 1874562446 XDUQUNPYLCNSBW-YZSQISJMSA-N 428.561 5.122 30 10 IKEE COc1cccc(/C=C/C(=O)c2cccc(Cl)c2)c1OCc1ccc(Cl)c(Cl)c1 1874577179 ADFUHTSTDQDLRN-PKNBQFBNSA-N 447.745 7.131 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccc(CC)cc3)c2)cc1 1874596155 HQBOKYPVLQECIP-LICLKQGHSA-N 429.516 5.561 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1Cl 1874599921 KSRGEYILVXBJNM-DHZHZOJOSA-N 449.934 5.879 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc(OC)c1OCc1ccc(C)cc1 1874620711 PDHXXEMZXNQVDR-CSKARUKUSA-N 446.499 5.259 30 10 IKEE Cc1cc(C(=O)/C=C/c2cccc(OC(=O)c3ccc4nc(C)c(C)nc4c3)c2)ccc1F 1874703718 DOGQDHKUFOJUNP-KPKJPENVSA-N 440.474 5.809 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OC(=O)c1ccccc1Cl 1874707951 FNXFISRKQIYTSC-RIYZIHGNSA-N 434.919 6.587 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1OC(=O)c1cnc(C)cn1 1874715916 SDGZLVBHXSBJSD-DHZHZOJOSA-N 444.531 5.515 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc1OC(=O)c1ccco1 1874719031 XCTNHNGOKVBBLY-FMIVXFBMSA-N 428.440 5.565 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1 1875080281 IGMFMLCAKWPSPD-DEDYPNTBSA-N 448.518 6.406 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3cccc(OC)c3)cc2)cc1 1875101814 RKIIBVBUHGRZDS-LFIBNONCSA-N 430.500 5.528 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OC 1875110262 CHAVQMCKFMGBMN-ACCUITESSA-N 436.891 5.401 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccc(Cl)cc1 1875123309 ZOFKUQJPCSFQST-KGVSQERTSA-N 442.254 6.017 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)CSc1ccccc1 1875128956 CXROJAUWQJRZSW-FOCLMDBBSA-N 444.552 6.018 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)c(Cl)c2)c(C)c1 1875131694 KGFHTGGQTAQLGX-QPJJXVBHSA-N 448.990 6.975 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)c3ccc4cc(Cl)ccc4n3)cc2)ccc1F 1875141212 SWCKQHQJEXYJAE-YIXHJXPBSA-N 445.877 6.451 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)c1ccccn1 1875156121 LFKIYZPLMLTHRB-KPKJPENVSA-N 435.907 5.982 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)cc2Cl)cc1 1875168482 FMUCJEGXSRHEHJ-WUXMJOGZSA-N 448.946 6.698 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)C2CCC2)c([N+](=O)[O-])c1 1875180907 FHFDKTWLWPGGRF-SOFGYWHQSA-N 429.856 5.167 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1C 1875186895 MZPRWENOHACMCT-FMIVXFBMSA-N 431.444 5.336 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N(C)C)n2Cc1ccco1 1875234366 MFNBMWINDVUZCL-UHFFFAOYSA-N 425.577 5.327 30 10 IKEE CC1(C)OB([C@H](N)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)OC1(C)C 1883108994 RXZPIYXVLFJNQW-RUZDIDTESA-N 445.368 5.476 30 10 IKEE C#Cc1cc(CC(=O)OC)cc(N(C)C(=O)OCC2c3ccccc3-c3ccccc32)c1C 1887521529 XVXLYFAIRUYPAY-UHFFFAOYSA-N 439.511 5.077 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1ccc(Cl)cc1I 1901578593 MGTYHFPKELNGPI-LJQANCHMSA-N 441.740 5.368 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C 1922056756 ZKKGQUVAGKHEIZ-JWQCQUIFSA-N 438.612 5.264 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1945527362 SPLGIESRWKMHHB-ATZDWAIDSA-N 449.979 5.619 30 10 IKEE N#Cc1cc(F)c(NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)c(F)c1 1977563770 MSKFVZTWVNCIEQ-UHFFFAOYSA-N 449.457 5.109 30 10 IKEE CC(C)(C)OC(=O)NC(C)(C)[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1991735856 KEDNOSBTVHZAMB-JOCHJYFZSA-N 437.968 5.667 30 10 IKEE C[Si](C)(C)C#CC[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2016728276 XSEABLPOWIVACO-VWLOTQADSA-N 430.620 6.149 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)CC#CC2CCCCC2)C1 2041906613 QMYGPJQRKFYVGS-HHHXNRCGSA-N 439.596 5.373 30 10 IKEE CCCc1ccc([C@H](n2nc(C(C)(C)C)c(C=NO)c2Br)C(C)(C)C)cc1 2079880863 IHWSSULKMRWUHM-IBGZPJMESA-N 434.422 6.339 30 10 IKEE CC1(c2nn([C@H](c3ccc(C(F)(F)F)cc3)C3(C)CC3)c(Br)c2C#N)CC1 2079883605 CXNIJYJPOSFUHJ-MRXNPFEDSA-N 438.291 5.977 30 10 IKEE CC(C)(C)c1nn([C@H](c2ccc(C3CCC3)cc2)C2(C)CC2)c(Br)c1C=NO 2079985855 PQINLCMJWXKYCJ-HXUWFJFHSA-N 444.417 6.408 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)C1(C#N)C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2094885024 MWXNTZMYZYDARD-RRZWQVKKSA-N 447.579 5.526 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(Cl)ccc(Br)c1F 2122139700 LFTJWRWHEDYLAZ-WMLDXEAASA-N 447.776 5.199 30 10 IKEE CC1(C)CC2(CC([C@H](C#N)N(C(=O)OC(C)(C)C)c3cccc(Br)c3)C2)C1 2158847404 URQZDIKCHRQDSL-SFHVURJKSA-N 433.390 6.299 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(Nc2ccc(C#N)c(Br)c2)cc1 2162388603 ZZJQHUACWHFELN-PKOBYXMFSA-N 428.330 5.445 30 10 IKEE N#Cc1c(F)cc(Br)cc1NC[C@@]12CC[C@@H]1CCCN2Cc1ccccc1 2163707445 JYRCCGWKCXDYJM-JTSKRJEESA-N 428.349 5.317 30 10 IKEE Cc1cccc(C(=O)Nc2ccc(C#N)cc2Br)c1NC(=O)OC(C)(C)C 2181108507 TUFLDSSCSJZAIV-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)cc(F)cc1Br 2225599229 GPPYAOJGUPXTST-DOTOQJQBSA-N 433.337 5.237 30 10 IKEE C=CCCCCCCC[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2227281161 FHCZULYVFCPFJX-NDEPHWFRSA-N 444.615 7.795 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)C(C)(C)CCCNC(=O)OC(C)(C)C 2235723325 BMYBPYIJNGVZNZ-LJQANCHMSA-N 437.422 5.110 30 10 IKEE CC(C)(C)OC(=O)N[C@H](CC(=O)C#Cc1ccccc1Br)C1CCCCC1 2235726510 FKGMWSCLVAAGKO-HXUWFJFHSA-N 434.374 5.233 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@H](C#N)c1sc(Cl)cc1Br 2259921219 OHELGQDMQYEVRW-AWEZNQCLSA-N 447.826 6.689 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCC(=O)O)c1cc(Br)ccc1Cl 2262206057 HMFAURUANGCIQG-IBGZPJMESA-N 425.706 5.018 30 10 IKEE N[C@H](C#CC1CCCC1)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2274001648 OZSAVNXGEBXLPX-GGXMVOPNSA-N 441.571 5.399 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)C1CCN(Cc2ccccc2)CC1 2296225703 YBDDXJILTXLXJX-XMMPIXPASA-N 425.414 5.081 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)C(C)(C)[C@H](CC)NC(=O)OC(C)(C)C 2296296861 SKQOTVGXPAITOB-OALUTQOASA-N 437.422 5.108 30 10 IKEE CCNc1ccc(C#N)cc1N=C1SC(=C2Sc3ccccc3N2CC)C(=O)N1CC 2297321680 UGQCCWISLYGAJD-UHFFFAOYSA-N 449.605 5.374 30 10 IKEE O=C1C(=Cc2ccc(Br)cc2)SC(=Nc2cccnc2)N1C1CCCCC1 2314539846 CGSICEASRCZEJH-UHFFFAOYSA-N 442.382 5.781 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](CSc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2317313012 PWGUVUCCZOBGEQ-SFHVURJKSA-N 446.422 5.075 30 10 IKEE CCOc1c(Cl)cc(C=Nn2cnnc2SCc2cc(C)ccc2C)cc1Cl 2318571931 WHAPDOCHANVCHI-UHFFFAOYSA-N 435.380 5.775 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)C1(NC(=O)OC(C)(C)C)CCCC1 2318913680 BJNULGGWUIJLQA-IBGZPJMESA-N 445.560 5.166 30 10 IKEE Clc1ccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CC2)cc1 2320909291 KYBCOCBOZRAXCC-UHFFFAOYSA-N 437.783 6.290 30 10 IKEE Cc1cc(OCc2ccc(F)cc2)cc2c1C(=O)C(=Cc1ccc(Br)cc1)O2 2321799319 QGRJJGLBTIFALF-UHFFFAOYSA-N 439.280 6.092 30 10 IKEE Sc1nnc([C@@H]2CCCO2)n1N=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2321884207 JALSJODPDHAMJJ-SFHVURJKSA-N 449.363 5.186 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(C(C)C)cc1)O3)CN(Cc1cccnc1)CO2 2321973049 JLNIUONNUYBFIT-UHFFFAOYSA-N 426.516 5.482 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc(OCC)cc1 2322552875 NUKOOJNAIGPRDU-UHFFFAOYSA-N 443.971 5.662 30 10 IKEE Cc1cc(OC(=O)c2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1ccc(Cl)cc1)O2 2322698974 GUPYQGUONKFCED-UHFFFAOYSA-N 425.267 6.137 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2cccc(Cl)c2)c(OC)c1 2322906343 DESSNHDRSGJUBT-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)c(Br)c1OC 2323306779 JKWPPKWQYQWHMM-UHFFFAOYSA-N 446.124 5.678 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCc3ccc(Cl)cc3)c2)c(OC)c1OC 2323341185 CJFKVRDHYCEDEF-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE COc1cc(C=NS(=O)(=O)c2ccccc2)ccc1OCc1ccc(C(C)(C)C)cc1 2323441890 UDKHOKWPNRGIFN-UHFFFAOYSA-N 437.561 5.380 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3)c(Br)c2)cc1 2323540123 YLBWXBHHTIJIGQ-UHFFFAOYSA-N 449.388 7.267 30 10 IKEE CSc1nnc(Cc2ccccc2)n1N=Cc1cc(Cl)c(OC(C)C)c(Cl)c1 2323582897 XZWHBZSYCSLXTO-UHFFFAOYSA-N 435.380 5.567 30 10 IKEE CCCOc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1 2323827343 WEFYRKQOAWXCCL-UHFFFAOYSA-N 432.447 5.758 30 10 IKEE CCCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(C)c2)C3=O)cc1 2323934864 KWMMKJQIKAFABV-UHFFFAOYSA-N 442.467 5.536 30 10 IKEE C[C@H]1C[C@@H](C)CN(Cc2c(O)ccc3c2OC(=Cc2cccc(Br)c2)C3=O)C1 2324054963 UTYMRLOQCFREDN-GASCZTMLSA-N 442.353 5.249 30 10 IKEE COc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 2324395010 KAWNUQRLQVLOCE-QGZVFWFLSA-N 429.328 6.015 30 10 IKEE CCOc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3OC)cs2)cc1 2324762415 IQTGOFZTJSGIOT-FQEVSTJZSA-N 434.517 5.116 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccccc1O 2325535539 WHMOCKHYBJLKRD-UHFFFAOYSA-N 435.380 5.808 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1cccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)c1 2325686256 BRGTZZUUIXLYPX-UHFFFAOYSA-N 435.863 5.683 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2cccc(C=CC(=O)c3ccc(F)cc3F)c2)c1 2325725886 IIYJXVMBJIDAHW-UHFFFAOYSA-N 438.426 5.026 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2cccc(OC(=O)CCCOc3ccccc3)c2)cc1 2325746389 YLIGVLKDKSHSRJ-UHFFFAOYSA-N 442.555 6.645 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)c3cnc(C)cn3)c2)cc1C(C)C 2325754030 JXCISQSGQXKTQW-UHFFFAOYSA-N 430.504 5.341 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccccc3[N+](=O)[O-])c2)c(C)c1C 2325755758 KQYBNIMIKPBECZ-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)C=Cc1ccc(C(=O)OC)cc1 2325806188 KTCQCLIUGVXITG-HSZRJFAPSA-N 444.616 5.028 30 10 IKEE Cc1cc(OCc2nnc(SCc3ccccc3)n2N=Cc2ccco2)ccc1Cl 2326525030 ZVLIFYQGSPDFIO-UHFFFAOYSA-N 438.940 5.586 30 10 IKEE CCCCCCOc1ccccc1C(=O)C=Nn1cnnc1SCc1cccc(F)c1 2326724376 HBHXNLUFOCJLPH-UHFFFAOYSA-N 440.544 5.385 30 10 IKEE CCOc1c(C=Nn2c(CC34CC5CC(CC(C5)C3)C4)nnc2SC)cccc1OC 2326867996 OEAPCXRYKCJMLF-UHFFFAOYSA-N 440.613 5.048 30 10 IKEE CCCCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1N=Cc1cccc(F)c1 2326879008 WYHISHQAMGRZQX-UHFFFAOYSA-N 444.532 5.093 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccc(Cl)cc3)n2N=Cc2ccccc2)c1 2327527141 IHDLHJXHEPCSTJ-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE CCCCC1CCC(c2nnc(SCCO)n2N=Cc2cccc(OCC)c2)CC1 2328211576 ORXYGVFAYZQRJW-UHFFFAOYSA-N 430.618 5.107 30 10 IKEE COc1ccc(CCc2nnc(SCc3ccccc3)n2N=Cc2ccccc2F)cc1 2328577056 BYIRRFUKJHZCJF-UHFFFAOYSA-N 446.551 5.386 30 10 IKEE Oc1ccccc1C=Nn1c(CCc2cccs2)nnc1SCc1ccccc1F 2329665354 KXEPHWWTIOONRA-UHFFFAOYSA-N 438.553 5.144 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2ccccc2)n1N=Cc1ccc(F)cc1 2330164718 DBKJWHLBCYBRIR-UHFFFAOYSA-N 430.552 5.685 30 10 IKEE Clc1ccc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccccc2)cc1 2330209744 UZGAOYGTDIJXTF-UHFFFAOYSA-N 432.980 5.891 30 10 IKEE Oc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2-c2ccccc2)c(O)c1 2330674938 OZEKAHJMJDTQPX-UHFFFAOYSA-N 436.924 5.184 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(OC)c(OC(=O)[C@H](C)c3ccccc3)c(OC)c2)c1 2330778080 WEBALBJOHXEIAQ-GOSISDBHSA-N 446.499 5.318 30 10 IKEE CCCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccc(F)cc2F)cc1OC 2331100655 MEUZRBGOTCCHRP-UHFFFAOYSA-N 439.252 5.338 30 10 IKEE CCSc1nnc(-c2ccco2)n1N=Cc1ccc(OCCc2ccccc2)c(OC)c1 2331193941 GVQVAANOQMPJSX-UHFFFAOYSA-N 448.548 5.162 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccc(C)cc2)cc1Cl 2331265937 GKPLTMQWXBATPP-UHFFFAOYSA-N 434.919 6.091 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)Cc1ccccc1Cl 2331281745 MYTFEDOQPUAFTL-UHFFFAOYSA-N 434.919 6.091 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3)c(OC)c2)cc1 2331311490 NBXQUFSJBBFAMW-UHFFFAOYSA-N 434.463 5.738 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(O)c(O)c1 2331344452 OBELKPSITOWFQU-UHFFFAOYSA-N 432.549 5.360 30 10 IKEE CCCSc1nnc(C(C)(C)C)n1N=Cc1ccc(OCc2ccccc2)c(OC)c1 2331402269 IRLRJGZOHSTRTR-UHFFFAOYSA-N 438.597 5.548 30 10 IKEE CN(C)c1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CCC2)cc1 2331535258 AVLMBBZFFDEFFX-UHFFFAOYSA-N 441.604 5.939 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1N=Cc1ccc(C(C)C)cc1 2331632459 UQVUCYNJNGPKBC-UHFFFAOYSA-N 449.624 5.584 30 10 IKEE CC(C)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1cccc2ccccc12 2331688851 IWJKRKDUAAFPME-UHFFFAOYSA-N 431.521 5.637 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)[C@@H]1CCCO1 2331762534 JTDRLKOMZXEXJY-FQEVSTJZSA-N 428.912 5.254 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1ncc(C(F)F)s1 2343570533 SLHPFIVXAQTIJO-LBPRGKRZSA-N 444.301 5.850 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2cc(Br)cc(F)c2C#N)C[C@@H]2CCC[C@H]21 2360241349 DTZUNNHHNONNNM-XAYKYTGQSA-N 438.341 5.050 30 10 IKEE COCc1ccc(CN(C(=O)OC(C)(C)C)[C@@H](C#N)c2cc(Cl)sc2Cl)s1 2368029792 PVYCIVLBOIEYFG-AWEZNQCLSA-N 447.409 6.265 30 10 IKEE CC1(C)[C@@H]2CC[C@@]1(C)/C(=N\N=C1/NC(=O)/C(=C\c3cccc(Br)c3)S1)C2 15974009 XGBYPXJUPDRINW-ZQXCDQKPSA-N 432.387 5.211 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc3ccccc23)cc1OC 21249082 NCCGTDDKPCXWDF-KNQAVFIVSA-N 441.527 5.251 30 10 IKEE CC1=CC(=O)C(C(C)C)=C/C1=C(/c1cc(C(C)C)c(O)cc1C)c1ccccc1C(=O)O 33594478 DYKVXNALUDOXCR-PNHLSOANSA-N 430.544 6.436 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C\C(=O)c3ccc(-c4ccccc4)cc3)cc2)c1 34954582 KMAMZVOJWOOUIO-UNOMPAQXSA-N 434.491 6.478 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(Br)cc3)c2)cc1 34954822 SMNRGEFXSFPWPX-LHHJGKSTSA-N 437.289 5.573 30 10 IKEE C=C(Br)Cn1c([C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)nc2ccccc21 38586301 WIBDMCUVKQQTFK-CQSZACIVSA-N 430.733 5.119 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccccc3OC)cc(C)c2C1=O 41285799 GITRVUIDEYXAET-UCQKPKSFSA-N 430.456 5.238 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc(OCc4ccc([N+](=O)[O-])cc4)c3C)C2=O)cc1 41501416 ZGJGWXWYZXLWTG-UCQKPKSFSA-N 431.444 5.497 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O3)CN(C1CCCCC1)CO2 41648254 VRQLWIXWEXQMPD-IWIPYMOSSA-N 431.576 6.393 30 10 IKEE CCCCCCCCCCCn1c([C@H](C)NC(=O)CCc2ccccc2)nc2ccccc21 102125002 WIVXAWOVIJHEFY-DEOSSOPVSA-N 447.667 7.377 30 10 IKEE CCCCCCCCCCCn1c(CNC(=O)/C=C\c2ccccc2)nc2ccccc21 102125906 YGMHPCGBLMRIIP-MRCUWXFGSA-N 431.624 6.897 30 10 IKEE CCCCN1C(=O)C(=O)/C(=C(\O)c2ccc(Cl)cc2)[C@H]1c1ccc(Br)cc1 103107737 DNSKRIVHMVOPGI-LYHOESIGSA-N 448.744 5.324 30 10 IKEE CCCCCCCCC[C@H]1N(c2ccccc2)[N]C(c2ccccc2)=NN1c1ccccc1 103614719 UQKJSFRAJISOPS-UHFFFAOYSA-N 439.627 7.361 30 10 IKEE CCCCCCCCCCOc1ccc(C2=N/C(=C/c3ccc(C(C)C)cc3)C(=O)O2)cc1 104081317 YQCWKEPWROTOBZ-SZXQPVLSSA-N 447.619 7.674 30 10 IKEE CC1(C)CS/C(=N/CCc2ccccc2)N1C(=O)c1cccnc1Sc1ccccc1 105084249 BAXCSXFKHRPQSV-SOYKGTTHSA-N 447.629 5.799 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2cccs2)cc1C 169983824 ZGNINVGDZMFSDS-FQEVSTJZSA-N 425.456 5.426 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@H]2c2cccs2)cc1C 169986105 IXFIRNWOEDGPDJ-DEOSSOPVSA-N 439.536 6.301 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccccc1F)c1cccc(Cl)c1 170070424 YEMMGVRGTXXHDP-FQEVSTJZSA-N 442.273 5.915 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cn(C)c2ccccc12 170085813 JWEPQBDOHWWPEX-XMMPIXPASA-N 444.531 5.016 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OCC)cc3)[C@@H]2c2ccc(C)o2)cc1 170101459 RJBYBLHIFJLIHU-HSZRJFAPSA-N 447.487 5.168 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccc(OC)c2)cc1 170118072 QPHXFYMURCQXIV-DEOSSOPVSA-N 443.499 5.267 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1ccc(O)cc1)c1cccc2ccccc12 170132387 XWHHNFWCCVPEHK-DEOSSOPVSA-N 437.451 5.034 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1cccs1)c1ccc2c(c1)CCCC2 170157269 FMMGRMIRXAOVLF-QFIPXVFZSA-N 431.513 5.115 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2cccs2)c1 170157944 JTZODIOXXGNIDS-QHCPKHFHSA-N 447.556 5.937 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccn2)ccc1OC(C)C 170169938 GQVBNTBOKQUBAC-HSZRJFAPSA-N 446.478 5.099 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)cc(C)c3OC)[C@H]2c2ccccn2)cc1 170170833 RDFGFPUSONKEHL-HSZRJFAPSA-N 442.515 5.052 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1cccnc1 170188244 XYMJFJQKSNTKSO-HSZRJFAPSA-N 426.516 5.470 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccccc2)c1 170225736 IUSDGEBJZPMUJW-XMMPIXPASA-N 427.500 5.485 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccc(F)cc1 170243859 BTZHJFQAGGDKQS-HSZRJFAPSA-N 439.527 5.629 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2F)cc1Cl 170253527 HKVFHZSVCJCJJQ-FQEVSTJZSA-N 429.875 5.009 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc(O)c2)ccc1OC(C)C 170261947 KOMZSLBRLRIWNK-XMMPIXPASA-N 449.547 5.399 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2ccc(C)o2)cc1C 170304255 KWZYYDVZGZJGAU-QHCPKHFHSA-N 447.487 5.087 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(C(C)(C)C)cc2)c1 170329809 AYSOEDIPVNSIND-QHCPKHFHSA-N 442.515 5.171 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)cc1 170391361 RYLMCJJMFCGDMJ-HXUWFJFHSA-N 441.911 5.886 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2cccc(OC(C)C)c2)cc1 170475283 WTRXCPKLLGVBGN-HSZRJFAPSA-N 447.487 5.248 30 10 IKEE O=C(CSc1nc2ccc(N=Cc3ccc(Cl)cc3Cl)cc2s1)NC1CC1 254293710 SNALJFXDKBFKCA-UHFFFAOYSA-N 436.389 5.724 30 10 IKEE Cc1ccc(N=C(c2ccccc2)[C@H]2SC(=N)N(c3ccccc3)[C@H]2c2ccccc2)cc1 254391869 BJWFNANIWVLDLW-WUFINQPMSA-N 447.607 7.414 30 10 IKEE CCCOc1ccc([C@H]2C(c3cccc(OC)c3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526518077 WNRNFSXQCMAIAW-VWLOTQADSA-N 440.499 5.413 30 10 IKEE CCOc1ccc(/C=N\n2cnnc2SCc2cc(C)cc(C)c2)cc1Br 526809632 KAGKESFBSYZMAR-KSEXSDGBSA-N 445.386 5.231 30 10 IKEE C=CCCN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586143728 HEBRQGUGSIBSNZ-UHFFFAOYSA-N 425.516 5.770 30 10 IKEE CCc1ccccc1N(Cc1ccc(C#N)cc1)S(=O)(=O)c1cc(C)c(C)cc1OC 586215574 QDELXAYPYHFYRZ-UHFFFAOYSA-N 434.561 5.142 30 10 IKEE CSc1cccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2cccc(Cl)c2)c1 586223158 SYUFXNIEFWOADE-UHFFFAOYSA-N 428.966 5.329 30 10 IKEE C=CCCN(c1ccc(OCC)c(OCC)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586244526 ZCWKVFLDUPRTCY-UHFFFAOYSA-N 444.380 5.562 30 10 IKEE Cc1ccccc1N(C(=O)c1cccc(C#N)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586268871 MPKLERATPQJKCR-UHFFFAOYSA-N 445.327 5.209 30 10 IKEE CCCCCCCC[C@@H](NCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 693657870 UAJDKJGUXFCPJE-SQHAQQRYSA-N 445.692 5.885 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCN(C(=O)OC(C)(C)C)[C@H]2C)cc1 698987734 NJQRTDOSAKLISU-XDHUDOTRSA-N 445.560 5.118 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@@H](C#N)c1cccc(Br)c1Cl 706533803 AZICYGPJWZNLAI-INIZCTEOSA-N 439.712 6.248 30 10 IKEE O=C1ON=C(c2cccc([N+](=O)[O-])c2)/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1081095275 OPMLANDLXCWTHI-MTJSOVHGSA-N 434.835 5.172 30 10 IKEE CCOc1cc2nc(N=CNc3nc4cc(OCC)c(C)cc4s3)sc2cc1C 1614466820 QHOFCKFFSWXLCJ-UHFFFAOYSA-N 426.567 6.092 30 10 IKEE COc1ccccc1C=NN=C1S/C(=C/C=C\c2ccccc2)C(=O)N1Cc1ccco1 1772757426 PCVGKOUSEUWJMM-MXBMRLKSSA-N 443.528 5.351 30 10 IKEE Cc1nc(O)c(-c2c(F)c(F)c(F)c(F)c2F)cc1-c1c(F)c(F)c(F)c(F)c1F 1848358747 ZFJUBEUEJRSEPB-UHFFFAOYSA-N 441.224 5.821 30 10 IKEE CCCCCCCCNC(=O)[C@](C)(CC)NC(=O)COc1cc(C)c(Cl)c(C)c1 1861639427 ASSSGPYZWZLRMY-QHCPKHFHSA-N 425.013 5.097 30 10 IKEE CCCCCCCCNC(=O)[C@@H](C)NC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 1861720018 JZPPBGNOHIGVQF-BENYOCTQSA-N 436.596 5.260 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@@H]2c2ccc(C)cc2)cc1 1862389798 NXGWCYDVJWVVNU-RUZDIDTESA-N 448.607 5.258 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2ccccc2C)cc1 1862389988 SERSAVYMPXIYDK-DEOSSOPVSA-N 435.564 5.079 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(CC)cc2)cc1 1862390656 JDYHLXPBMLPJKZ-RUZDIDTESA-N 443.543 5.963 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccc2cc[nH]c2c1)c1ccccc1Cl 1862432932 QGKBOAXMTAEPHV-HSZRJFAPSA-N 448.950 6.122 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2C2CCCCC2)cc1 1862458930 YIQCJVRBBOJNGT-NRFANRHFSA-N 445.437 5.024 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCc3ccccc3)[C@H]2c2ccc(C)cc2)cc1 1862475729 SXMKKQJTWQNTIC-SANMLTNESA-N 439.555 5.905 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862507648 QIMGOZINWTYJLT-HOYKHHGWSA-N 429.491 5.782 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C2CCCCCCC2)c1 1862559501 PSNQUMVPIJAYKZ-XMMPIXPASA-N 448.563 5.359 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccccc2Cl)c1 1862560931 OVZSYHKHUZYDQC-JOCHJYFZSA-N 438.955 5.613 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1c(F)cccc1Cl)c1cccc(O)c1 1862592339 ASPHVUFMRIGWDZ-OAQYLSRUSA-N 443.902 5.486 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCC(C)C)cc1 1862617030 UBDGJCGITAOVME-DEOSSOPVSA-N 433.592 6.171 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2[C@H](C)c2ccccc2)c1 1862625982 RHAWVZLAWBFSNK-OSPHWJPCSA-N 441.483 5.063 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1c(F)cccc1Cl 1862644233 GRGUPEIZFWWGFK-WYRIXSBYSA-N 435.854 5.004 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(OCCC)cc1 1862669419 VVSSJUQVQGYKIS-VWLOTQADSA-N 449.591 6.367 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1cccc2ccccc12)c1ccc(F)cc1 1862677279 CCHINGJWXFCEPD-XMMPIXPASA-N 438.458 5.152 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc3cc[nH]c3c2)c1 1862702113 VBVBGDXOJHKPDY-XTZPKPCCSA-N 444.531 5.334 30 10 IKEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2ccccc2)cc1 1862731610 XYSYYUMAIXPZDG-DEOSSOPVSA-N 435.564 6.024 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1Cl 1862739361 WVOGUONQWLOULM-HXUWFJFHSA-N 442.899 5.407 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(C(C)C)c(C)c3)C2=O)c1 1863032525 RVYAUHGXHNNBTM-UHFFFAOYSA-N 449.554 6.004 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccc(OC)cc2)=C(c2ccc(C)c(C)c2)C1=O 1863607766 MJRUGFIXESTWQS-UHFFFAOYSA-N 448.607 5.542 30 10 IKEE CCCCCCCCNC1=C(c2ccc(OC)cc2)C(=O)N(CCCc2ccccc2)C1=O 1863673164 YEDKQNIXFGETAQ-UHFFFAOYSA-N 448.607 5.358 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC[C@@H]2CCCO2)=C(c2ccc(F)c(C)c2)C1=O 1863791034 ZEVAALBRUWNHII-NRFANRHFSA-N 444.591 5.123 30 10 IKEE N#Cc1cc(Br)c(NC(=O)c2ccc3ccccc3c2)c(Br)c1 1865956145 QUVQYXSKGWQMDI-UHFFFAOYSA-N 430.099 5.489 30 10 IKEE CC[C@@H](NC(=O)[C@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866991530 NPHBMHDPXCXYPE-UXHICEINSA-N 432.351 5.138 30 10 IKEE CCCC[C@H](NC(=O)C[C@H](CC(C)C)c1ccc(F)cc1)C(=O)Nc1ccccc1C#N 1867104410 OPPWHAGTTOHHNJ-URXFXBBRSA-N 437.559 5.531 30 10 IKEE CC(C)c1ccc(Cn2nnc(C#N)c2NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1 1870106735 VWGKXBKTNRXIQT-UXBLZVDNSA-N 440.334 5.280 30 10 IKEE CC(C)(C)c1ccc(-n2nnc(C#N)c2NC(=O)[C@H](Cc2ccccc2)c2ccccc2)cc1 1870148087 UYHKIZLRXLQLPS-XMMPIXPASA-N 449.558 5.401 30 10 IKEE CCCCCCCOc1cn(Cc2cccc(C)c2)c(CN(C)Cc2ccccc2)cc1=O 1870413202 VOJKWGUJDOYWJG-UHFFFAOYSA-N 446.635 6.186 30 10 IKEE CCCCCCCCCCn1cc(OCC(C)C)c(=O)cc1CN1CCC(CO)CC1 1870437511 USLFYIQKUOJGGA-UHFFFAOYSA-N 434.665 5.228 30 10 IKEE CCCCCCCCCCn1cc(OCCc2ccccc2)c(=O)cc1CN(CC)CC 1870690870 AVKFLKGPDGXUKZ-UHFFFAOYSA-N 440.672 6.452 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(C)cc2)cn1CCCOCCCC 1870766164 DIIRWEOIVGBJBS-UHFFFAOYSA-N 438.612 5.117 30 10 IKEE CCCCCCCOc1cn(CC(C)C)c(CNc2cc(NC(C)=O)ccc2C)cc1=O 1870832098 PSTOAYUEKXTFLO-UHFFFAOYSA-N 441.616 5.732 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OC(=O)COc4ccccc4OC)c3C)C2=O)cc1 1871370461 MXPBDYNLLYKYQW-IWIPYMOSSA-N 444.483 5.167 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4cccc(Oc5ccccc5)c4)ccc3C2=O)o1 1871379491 SLTMCZQLVIDRRT-XYGWBWBKSA-N 438.435 6.216 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2F)C3=O)c1 1871389099 JSAJKGZGVBEIST-XKZIYDEJSA-N 446.430 5.285 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(O[C@H](C)C(=O)Nc3ccccc3Cl)ccc2C1=O 1871406522 SPNYJHCHEAJVSB-GEWRUKCFSA-N 433.891 5.671 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2cccs2)C3=O)cc1 1871412162 VKESSDJJSDWTDS-VOMLJKFNSA-N 433.529 5.641 30 10 IKEE C=CCN(CC=C)c1nc(=NCCC(C)C)nc(Nc2ccc(Oc3ccccc3)cc2)[nH]1 1871511092 MNFRQHZUONFQQG-UHFFFAOYSA-N 444.583 5.466 30 10 IKEE COc1cc(OC)cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Br)cc3)cs2)c1 1872765257 KZSNMDFHDZSAIW-KRWDZBQOSA-N 443.322 5.080 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc1 1872780141 AZQCVSDRCPJZRM-MAIVGLDJSA-N 432.545 5.724 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC2CCCCC2)=C(c2ccccc2Cl)C1=O 1873031556 FDVYJLJXBOTVPZ-UHFFFAOYSA-N 445.047 6.483 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2[N+](=O)[O-])C(=O)N(C2CCCCCC2)C1=O 1873139968 LDWUAFWCJVMTAY-UHFFFAOYSA-N 441.572 5.348 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(Nc2ccccc2C#N)=C(c2cccc(OC)c2)C1=O 1873214186 DBWVTJIOAJGKGF-FQEVSTJZSA-N 431.536 5.118 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2[C@H](C)CC)=C(c2ccccc2)C1=O 1873414165 VWSUZELNFGPZEG-OAQYLSRUSA-N 432.608 6.753 30 10 IKEE C=CCN=c1nc2c(cnn2-c2ccccc2)c(Nc2ccc(Oc3ccccc3)cc2)[nH]1 1873469881 LVKQFIFQQWSRGJ-UHFFFAOYSA-N 434.503 5.371 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1c[nH]c2cc(Cl)ccc12 1873500496 YPJZGUCWRVSJIE-BRJLIKDPSA-N 444.391 6.193 30 10 IKEE CC(C)(C)n1ncc(N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c(Cl)c1=O 1873526819 XYXKYZYNJJYIFB-BRJLIKDPSA-N 445.350 5.330 30 10 IKEE CCCCCCCCCCNC(=O)c1cc2c(N3C[C@@H](C)C[C@@H](C)C3)ncnc2n1C 1873568891 XZIFXTRPWMXBPW-BGYRXZFFSA-N 427.637 5.321 30 10 IKEE CSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1ccccc1OC(C)C 1874225126 VCRPGIIQMVPNMC-PCLIKHOPSA-N 438.597 5.298 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1cc(Cl)ccc1O 1874253795 KXTUWULFZSMFMV-BUVRLJJBSA-N 442.972 5.117 30 10 IKEE CCCCC1CCC(c2nnc(SCC(=O)OC)n2/N=C/c2ccc(CC)cc2)CC1 1874286726 VUCBBWCLMYILFV-PCLIKHOPSA-N 442.629 5.452 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccc(C)cc3C)n2/N=C/c2ccccc2)c1 1874325982 RQHXRVNNZOEMAG-JVWAILMASA-N 442.588 5.957 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc(OC)c(OC)c1 1874342136 AGSUTWOPLIUPNW-ZMOGYAJESA-N 442.972 5.090 30 10 IKEE Cn1cccc1/C=N/n1c(Cc2ccc(Cl)cc2)nnc1SCc1ccccc1F 1874342467 RNGCTIAZHIVXNQ-AFUMVMLFSA-N 439.947 5.174 30 10 IKEE Cc1ccc(/C=N/n2c(CCc3cccs3)nnc2SCc2ccccc2F)cc1 1874371503 CLWRNRMLRMMSET-MFKUBSTISA-N 436.581 5.747 30 10 IKEE Cc1ccc(CSc2nnc(Cc3cccs3)n2/N=C/c2ccc(C(=O)O)cc2)cc1 1874411476 VVBWKGDBFBDBTA-ZVHZXABRSA-N 448.573 5.112 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2ccccc2F)nnc1-c1ccccc1 1874428226 XRZOXSNHOQKVCB-WPWMEQJKSA-N 446.551 6.048 30 10 IKEE Cc1ccccc1/C=N/n1c(CC(C)(C)C)nnc1SCC(=O)Nc1ccccc1C 1874437738 QFUWWHZFSIODOA-MFKUBSTISA-N 435.597 5.097 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SCCC)nnc2[C@@H]2CCCO2)cc1OC 1874450066 SIHRDONKLFTVTJ-LKZQPVPRSA-N 432.590 5.092 30 10 IKEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3c(C)cccc3C)nnc2C2CCCC2)c1 1874454783 PGWFDYVUURCYBW-CVKSISIWSA-N 447.608 5.474 30 10 IKEE CCc1ccc(/C=N/n2c(CC(C)C)nnc2SCC(=O)Nc2ccc(C)c(C)c2)cc1 1874488918 PWAJGTZPEVJPOO-CVKSISIWSA-N 449.624 5.269 30 10 IKEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3c(C)cccc3C)nnc2C2CCC2)c1 1874493159 YFKAHROPGUCEAL-AFUMVMLFSA-N 433.581 5.084 30 10 IKEE COCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874503274 ZNTFAAOTDAKKBD-YSURURNPSA-N 440.878 5.271 30 10 IKEE CCCc1nnc(SCCc2ccccc2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874508034 JIXPNHDMSBCWCT-HYARGMPZSA-N 429.933 5.009 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C(C)C)cc1 1874512431 XLKXXUNZBIMZTC-MFKUBSTISA-N 426.561 5.894 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2ccccc2C)cc1 1874572379 KKGISCBWRPISPU-WUKNDPDISA-N 429.516 5.480 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2c(OCC(=O)NCc3ccccc3)ccc3ccccc23)c1 1874580600 WMAIMUHYYBQNCJ-FOCLMDBBSA-N 449.550 6.048 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(C)c2)c1 1874580666 ZZLSYGLGUQHALO-DHZHZOJOSA-N 447.962 6.487 30 10 IKEE O=C(COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(F)c(F)c1)NC1CCCCC1 1874585317 RUCWQIAKSRQOCY-WYMLVPIESA-N 449.497 5.842 30 10 IKEE CCCNC(=O)COc1c(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)cc1OC 1874586901 KMFKZXIYOMRNRX-CMDGGOBGSA-N 443.971 5.383 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1 1874593538 ODBMVVSYLUCUMK-GHRIWEEISA-N 441.571 6.560 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3cccc(Cl)c3)c2)c(OC)c1 1874598757 CPEHWBOPTVEUIK-YRNVUSSQSA-N 438.907 5.841 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Cl)c1OCc1ccc(F)cc1 1874611251 DRFPXWKPIKMJPX-BJMVGYQFSA-N 446.852 6.631 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc([N+](=O)[O-])c1OCc1ccccc1 1874617717 QBYIGGXNNKCKKC-ACCUITESSA-N 431.488 6.085 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(Br)c1OCCO 1874623283 VDLIQLGHXSRBFK-ZHACJKMWSA-N 441.321 5.268 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3C)c([N+](=O)[O-])c2)cc1C 1874633146 NTYRAAAQJZLWFD-FMIVXFBMSA-N 444.487 5.434 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OCC(=O)NC1CCCCC1 1874635805 YTTXTHXUJWJMOB-ACCUITESSA-N 449.591 5.734 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc1OC(=O)c1ccccc1C 1874718828 YDZBNQWLPWITFE-DHZHZOJOSA-N 436.891 5.781 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2cccc(OC(C)C)c2)CSc2nnc(C)n21 1874827483 RLXNWHLUVZWITL-NRFANRHFSA-N 430.618 5.436 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1C 1875107380 NFGDWFYIFDXZBP-KPKJPENVSA-N 431.444 5.336 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(CC)cc1 1875115916 AWKARIDUHBXYNG-VIZOYTHASA-N 445.471 5.671 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2Cl)cc1 1875116704 OGRXNCKJKKPUGC-WLRTZDKTSA-N 435.863 5.926 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)CCCCCC 1875134038 JTXXYLMDRDLBSX-JQIJEIRASA-N 434.576 6.812 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2cccc3ccccc23)cc1OCC 1875154938 FITGEGODXMXTSP-CCEZHUSRSA-N 436.935 6.884 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccco2)c(Cl)c1 1875180387 LAOGORKSWIBUCK-FNORWQNLSA-N 431.271 6.019 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc(OC)c1OC(=O)C1CC1 1875190072 BQQMNBBLBVDBBW-BJMVGYQFSA-N 431.315 5.942 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)c1cccc(F)c1 1875190484 JYBQJNPCUDTCPU-WEVVVXLNSA-N 445.273 6.256 30 10 IKEE N#C[C@@H]1CC12CCN(C(=O)c1cc(-c3ccccc3)nc3ccc(Br)cc13)CC2 1891256211 IZPWDOSNODCOKV-KRWDZBQOSA-N 446.348 5.430 30 10 IKEE C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 1892410304 NWXZZSKNUMOBOV-HNNXBMFYSA-N 425.315 6.452 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OC(C)(C)C 1922067502 BSPKRZJZXTXPKZ-ACIOBRDBSA-N 448.648 5.225 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C 1922076638 HCEIMAHHKAOLAG-TZRRMPRUSA-N 430.633 5.601 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)C1(C)C 1947970036 HDAHIZRHCWXBNT-DEOSSOPVSA-N 429.561 5.418 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@H](C#N)[C@H]1CCCCN1C(=O)OC(C)(C)C 1991948695 BTOWVTOFOAXOPM-MSOLQXFVSA-N 435.590 5.167 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@@]1(C#N)CCCCN(Cc2ccccc2)C1 2003427872 NISYSSFPCAKSET-RUZDIDTESA-N 439.987 6.030 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1C[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C1(C)C 2005340594 QQZUCULYYCVRHI-WAIKUNEKSA-N 449.617 5.318 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2046018756 KLQLDNPXNFYFJA-YFPXKRJOSA-N 445.535 5.153 30 10 IKEE C=C1CC(C[C@@H](N)[C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1 2071360017 XKSXQUNPDDVFOI-LEAFIULHSA-N 429.560 5.562 30 10 IKEE Fc1cc(Cn2nc(C3CC3)c(Br)c2C(F)(F)F)ccc1C(F)(F)F 2079016996 WEWREZTVLWXYID-UHFFFAOYSA-N 431.149 5.748 30 10 IKEE Cc1nn([C@H](c2ccc(C3CCC3)cc2)C2(C)CC2)c(I)c1C#N 2079897166 UFPGUIUKGSVGSC-GOSISDBHSA-N 431.321 5.325 30 10 IKEE Cc1ccc([C@@H](n2nc(C(F)(F)F)c(C#N)c2Br)C(C)(C)C)c(F)c1F 2079951786 YCXUBKNDYLNLQD-CQSZACIVSA-N 436.222 5.758 30 10 IKEE COc1ccc([C@@H](C2CCC2)n2nc(C3CCC3)c(C=NO)c2Br)cc1C 2079982509 WKUSFWQLDVYPLA-HXUWFJFHSA-N 432.362 5.428 30 10 IKEE C[C@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)Nc1cc(Br)c(C#N)cc1F 2162420846 AKOYEJQPKBJWPA-RBZFPXEDSA-N 440.357 5.345 30 10 IKEE CC(C)N(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(C#N)c(Br)c1 2174811809 CRSVDZBOHZRIPN-MRXNPFEDSA-N 436.394 5.183 30 10 IKEE C#CCN(C(=O)c1ccc(Br)cc1NC(=O)OC(C)(C)C)C1CCCCC1 2180051107 QHTSGLAGCYLDEU-UHFFFAOYSA-N 435.362 5.204 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)[C@@H]1C[C@@H]1c1ccccc1 2200293422 JPRGUGSMQGSHGJ-VAMGGRTRSA-N 427.342 5.886 30 10 IKEE C=CCCCCCCCC[C@H](O)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2207424542 GKWJVTHUXDNQPD-FQEVSTJZSA-N 440.422 7.136 30 10 IKEE CC[C@H](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 2252638273 PFWZPFAOCAYMRJ-AUSJPIAWSA-N 449.514 5.246 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(OC)c(Br)s1 2263739683 POKSANRXDSLYJL-IUODEOHRSA-N 433.412 5.029 30 10 IKEE C=CCCC1([C@@H](NC)c2c(C)sc(C)c2Br)CN(C(=O)OC(C)(C)C)C1 2266303562 VFODSZQCADQESP-KRWDZBQOSA-N 443.451 5.591 30 10 IKEE Cc1cc(C(=O)N(Cc2ccccc2)CC2CCCC2)cc(C)c1B1OC(C)(C)C(C)(C)O1 2282663684 SLNZGRXRJVBRMK-UHFFFAOYSA-N 447.428 5.435 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CCC[C@H](C1)[C@@]2(C#N)Nc1ccccc1Br 2285961207 QFBQZIUDGOBVKF-QUUZMZQQSA-N 434.378 5.227 30 10 IKEE C=CCC1([C@H](NCC)c2cc(F)cc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2288355757 QECCQHLXOCWXGE-QGZVFWFLSA-N 445.348 5.191 30 10 IKEE CC=CCSC(=NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Sc1ccc(Cl)cc1 2293311778 UYJRVIXDNKROQI-UHFFFAOYSA-N 442.971 5.395 30 10 IKEE O=C1C(=Cc2c[nH]c3ccc(Br)cc23)SC(=Nc2ccccc2)N1C1CC1 2297559060 IJCKTLPHKMQYDC-UHFFFAOYSA-N 438.350 5.697 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@](C#N)(N(C(=O)OC(C)(C)C)C3CCCCC3)C[C@@]2(C)C1 2309553133 UDFVEWXHXRVOJM-AYCKEJKLSA-N 447.620 5.486 30 10 IKEE CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C=Cc3ccc(-c4ccccc4)o3)c2C#N)C1 2313785490 YOIJJLVFJQDKTQ-GOSISDBHSA-N 430.573 6.683 30 10 IKEE O=C1C(=Cc2c(Cl)cccc2Cl)Oc2c1ccc1c2CN(C2CCCCC2)CO1 2322016333 WZHZPGOJNAMPBG-UHFFFAOYSA-N 430.331 6.094 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O3)CN(C1CCCCCC1)CO2 2322079578 ATCMLFIBSJPENY-UHFFFAOYSA-N 445.603 6.783 30 10 IKEE CCCCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1cc(OC)ccc1OC)C3=O 2322082971 IKFQLGCNHGZYGH-UHFFFAOYSA-N 437.536 5.361 30 10 IKEE CCc1ccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3ccc(C)cc3)C4)C2=O)cc1 2322307615 SPJPJDFKUZOFJL-UHFFFAOYSA-N 425.528 5.834 30 10 IKEE CCCCCCCCN1COc2c(cc3c(c2C)OC(=Cc2ccccc2Cl)C3=O)C1 2322415735 JRVXGGBKDBWOBN-UHFFFAOYSA-N 439.983 6.777 30 10 IKEE Cc1ccsc1C=C1Oc2c(cc3c(c2C)OCN(CCCCc2ccccc2)C3)C1=O 2322450127 MLMWUJULKYZUDQ-UHFFFAOYSA-N 445.584 6.156 30 10 IKEE O=C(C=Cc1ccccc1OCc1cccc2ccccc12)c1ccc(Cl)c(Cl)c1 2322580385 VXZJJRGPGOONKQ-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE Cc1ccc(-n2ncc(NN=Cc3ccc(OCc4ccccc4)cc3)c(Cl)c2=O)cc1 2322586084 MTUCBQPNZXQMJV-UHFFFAOYSA-N 444.922 5.219 30 10 IKEE Cc1cc(OC(=O)c2ccccc2Cl)cc2c1C(=O)C(=Cc1ccc3c(c1)OCO3)O2 2322725177 NBCOCFUCPIPGLN-UHFFFAOYSA-N 434.831 5.213 30 10 IKEE O=C(C=Cc1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)c1ccc(F)cc1 2322748060 MJWBVAYKYFEIIP-UHFFFAOYSA-N 427.431 6.362 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1cc(C)c2c(c1)OC(=Cc1ccccc1C)C2=O 2322762899 QYUFHYDEISLABM-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)c1OCc1ccccc1C 2322842722 IPMYTASWEKNSBD-UHFFFAOYSA-N 448.990 7.366 30 10 IKEE O=C(Cc1ccc(Cl)cc1)Oc1ccc2c(c1)OC(=Cc1cccc(Cl)c1)C2=O 2322894789 JWKGBTZOBVKMGP-UHFFFAOYSA-N 425.267 5.758 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1OCc1cccc2ccccc12 2323106014 FGKNQSNHKSGTAG-UHFFFAOYSA-N 430.450 6.602 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2cccc(OCC(=O)N[C@H](C)c3ccccc3)c2)cc1 2323211536 NUSQTYYFIRKQQX-OAQYLSRUSA-N 427.544 5.962 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cccc(OCC(=O)Nc2ccc(C)cc2C)c1 2323260338 VVKLTKQDAZLNSF-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(OC(=O)c3cccc([N+](=O)[O-])c3C)c2C)C1=O 2323270450 DZISCCAIMDGZEV-UHFFFAOYSA-N 435.457 5.417 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1[N+](=O)[O-] 2323330402 PJSZCQPFRSGMMJ-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)Cc4ccccc4[N+](=O)[O-])cc(C)c3C2=O)cc1 2323395949 BGHXMPYSUNTPIF-UHFFFAOYSA-N 443.455 5.230 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)C=Cc1ccc(C(C)(C)C)cc1 2323439383 JTTMLLQCLFDSDY-DEOSSOPVSA-N 428.661 6.149 30 10 IKEE COc1ccc(OC)c(C=C2Oc3cc(OC(=O)C=Cc4cccs4)cc(C)c3C2=O)c1 2323520806 KASIFBBUECKKSL-UHFFFAOYSA-N 448.496 5.309 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccccc2Cl)cc1Cl)NCc1ccccc1 2323603176 WIHLLCSADIHACA-UHFFFAOYSA-N 440.326 5.585 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc3ccccc23)c(Cl)c1)c1ccccc1Cl 2323603182 XEDVZFNPYUFRLW-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(OCC)cc2)C3=O)CC1 2323651097 WMVQWWWZOHOBBF-UHFFFAOYSA-N 448.559 6.604 30 10 IKEE COc1cc(Br)cc(C=NNc2nc(-c3ccc(C)cc3)cs2)c1OC 2323864656 DXKHXYDUGHLJMA-UHFFFAOYSA-N 432.343 5.344 30 10 IKEE CCCCOc1ccc(C=NNc2nc(-c3cccc(OC)c3)cs2)cc1OCC 2323874540 WFCKOBIBGMCVFQ-UHFFFAOYSA-N 425.554 5.842 30 10 IKEE CCOc1ccc(C=C2Oc3c(CN4CCOc5ccccc54)c(O)cc(C)c3C2=O)cc1 2324155878 HYSBJCFDBIDHDW-UHFFFAOYSA-N 443.499 5.115 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OCCc1ccccc1 2324355872 AOYOZZKMGGNYNP-UHFFFAOYSA-N 428.572 6.837 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cccc(C)c3)cc2)cc1Cl 2324608286 ITQJITCIQXOZKH-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE N#C[C@H](C(=O)C=Cc1ccc(Cl)c(Cl)c1)c1nc(-c2c[nH]c3ccccc23)cs1 2324672840 VNAXRCCEQDZBKF-OAHLLOKOSA-N 438.339 6.488 30 10 IKEE CCOc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc1OC 2324688378 ZUCWLCLOFXGADQ-MRXNPFEDSA-N 440.471 5.385 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(OCCC)cc1 2325512632 SLRISPKWJIIUGK-UHFFFAOYSA-N 426.561 5.723 30 10 IKEE COc1ccc(CCC(=O)Oc2cccc(C=CC(=O)c3ccc4ccccc4c3)c2)cc1 2325700639 CCSTVZZVWFORHY-UHFFFAOYSA-N 436.507 6.283 30 10 IKEE CCn1cc(C=C2Oc3cc(OCc4cccc(C)c4)ccc3C2=O)c2cc(OC)ccc21 2325720769 CFTYRUKEGNYEQW-UHFFFAOYSA-N 439.511 6.173 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OCC(=O)Nc3cc(Cl)ccc3C)cc(C)c2C1=O 2325724139 IYAAAYXNOSOFSP-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE C[C@H](C(=O)Oc1cccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)c1)c1ccccc1 2325737388 GQRXSIKXTTXMJB-INIZCTEOSA-N 425.311 6.599 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OC(=O)c1ccc(C)c([N+](=O)[O-])c1 2325740088 ROFHHVWIIVOQOV-UHFFFAOYSA-N 445.471 5.644 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1OC(=O)c1ccc(C)c(C)c1 2325746982 ZCAICJCGLDNRML-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)c3ccc(C)cc3)c2)cc1C(C)C 2325753973 HPJIFKJMIGPOKS-UHFFFAOYSA-N 428.528 6.551 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1cccc(O)c1 2325909955 QQCVLRVQHOKIBW-UHFFFAOYSA-N 435.336 5.030 30 10 IKEE Cc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccccc1C(F)(F)F 2326567576 IWDGQPMCEZJOJG-UHFFFAOYSA-N 428.842 5.572 30 10 IKEE CC(C)(C)Oc1ccc(C=Nn2cnnc2SCc2ccc(Br)cc2)cc1 2326606501 IMGXKILVSMPVJM-UHFFFAOYSA-N 445.386 5.392 30 10 IKEE COc1ccccc1OCc1nnc(SCc2ccccc2F)n1N=Cc1ccccc1 2328280244 LKQSWDRGIBAWDC-UHFFFAOYSA-N 448.523 5.179 30 10 IKEE Cc1ccc(C)c(CSc2nnc(COc3c(C)cccc3C)n2N=Cc2ccc[nH]2)c1 2328558534 SNKKWGUBNDZXAO-UHFFFAOYSA-N 445.592 5.593 30 10 IKEE CCCOc1cccc(C=Nn2c(COc3c(C)cccc3C)nnc2SCCC)c1 2328559542 FQVSGSFPAXRMGL-UHFFFAOYSA-N 438.597 5.647 30 10 IKEE Cc1ccccc1C=Nn1c(CCOc2ccccc2)nnc1SCc1ccccc1 2329189927 ONVKSWURUKSXSS-UHFFFAOYSA-N 428.561 5.383 30 10 IKEE O=[N+]([O-])c1ccccc1C=Nn1c(CCc2cccs2)nnc1SCc1ccccc1 2329662899 LTISKPBQNHUARB-UHFFFAOYSA-N 449.561 5.208 30 10 IKEE Cc1ccc(CSc2nnc([C@@H](C)c3ccccc3)n2N=Cc2ccc(O)cc2)cc1 2330051572 FGGHPQNUXSQNFZ-IBGZPJMESA-N 428.561 5.618 30 10 IKEE Cc1ccsc1C=Nn1c(SCc2ccc(F)cc2)nnc1[C@H](C)c1ccccc1 2330066353 LSBGEXLWMRIMSM-QGZVFWFLSA-N 436.581 6.113 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OC(=O)C(F)(F)F 2330700828 FBCYFZUWRGVSML-UHFFFAOYSA-N 444.449 5.666 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)ccc1OC(=O)Cc1ccc(C)cc1 2330939346 VKHQCGHRXBMHQY-UHFFFAOYSA-N 434.919 6.091 30 10 IKEE C=C(C)CSc1nnc(-c2ccco2)n1N=Cc1ccc(OCCCC)c(OC)c1 2331204954 MMUZUFGVGCVTEJ-UHFFFAOYSA-N 426.542 5.276 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccccc2C)n1N=Cc1ccc(CC)cc1 2331327821 YZJONTMBHABEQU-UHFFFAOYSA-N 435.597 5.105 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)CCCSC 2331334747 HPJPHMSGOPPFQF-UHFFFAOYSA-N 432.513 5.096 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C(C)(C)C)cc1 2331417257 AIVHQTZPVHGGAG-UHFFFAOYSA-N 446.979 5.941 30 10 IKEE CCCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1N=Cc1ccccc1Cl 2331632374 IEJHXHJTWVSYPO-UHFFFAOYSA-N 441.988 5.114 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2cccs2)c(Cl)c1 2331755414 VFXXGGWGVPPASL-UHFFFAOYSA-N 447.339 6.487 30 10 IKEE C=CC[C@H]1CCCCN(Cc2ccc(I)c(Br)c2)C1 2349780748 IKZJODFPYYAWLN-ZDUSSCGKSA-N 434.159 5.232 30 10 IKEE C=CCCCCC[C@H](OCC(=O)O)c1sc(Cl)cc1I 2366688574 OZTTZWKMFMPRHG-NSHDSACASA-N 428.719 5.285 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C/C2=Cc4ccccc4O[C@@H]2C)C3=O)cc1 2133404 JFDAJWXBYOTKBR-FRQJIFLKSA-N 440.451 5.238 30 10 IKEE CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1Cl 9861343 YRYPSTAXPBKBDQ-DEOSSOPVSA-N 443.374 6.691 30 10 IKEE C=C(C)COc1ccc(NC(=O)COc2ccc([C@@H](C)CC)cc2Br)cc1 14832079 OQYQLHPIQDBZFG-INIZCTEOSA-N 432.358 5.935 30 10 IKEE N#CC1(c2ccc(NC(=S)NC(=O)CSc3ccc(Cl)cc3)cc2)CCCC1 20979641 PZUKBSOMATYUAK-UHFFFAOYSA-N 429.998 5.281 30 10 IKEE CCn1nc(C)c(CN/C(=N\C(=O)c2ccc(OC)cc2)Nc2ccc(C(C)C)cc2)c1C 32972252 WJHLAQASWDSGQH-UHFFFAOYSA-N 447.583 5.050 30 10 IKEE COc1ccccc1/C=C/C=C1\Oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc2C1=O 33740232 HDOVEDWCWCGTCC-YUMLRZHGSA-N 429.428 5.355 30 10 IKEE COc1cc([C@H]2c3sc(O)nc3SC[C@@H]2C=O)ccc1OCc1ccc(Cl)cc1 35531306 MJZKPHKXIPBTSD-KBXCAEBGSA-N 447.965 5.142 30 10 IKEE CCCCN(CCCC)Cc1c(O)ccc2c1O/C(=C/c1c(F)cccc1Cl)C2=O 37857962 NMLQAGQGAZFHHB-HYARGMPZSA-N 431.935 6.203 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)c(C)c2)[C@H]1c1ccc(OC)cc1 40091772 XHEUBMBSPPCHST-HSZRJFAPSA-N 437.536 5.171 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O3)CN([C@@H](C)c1ccccc1)CO2 41645856 DFEJUGWXLJZEND-YIRYVTQCSA-N 439.555 6.648 30 10 IKEE N#Cc1c(NC(=O)CSc2nnc(C3CCC3)n2-c2ccccc2)sc2c1CCCC2 59907054 CMQZTSSDXIQHSN-UHFFFAOYSA-N 449.605 5.078 30 10 IKEE CCNc1ccc(Br)cc(C(=O)/C=C\c2ccc(C(F)(F)F)cc2)c1=O 97474805 LSXHQQBCFABOJC-YHYXMXQVSA-N 426.232 5.156 30 10 IKEE C/C(=N\OCc1cccc(C)c1)c1cc(-c2ccc(F)cc2)n(-c2ccccc2F)c1C 97629489 XCJZOJHUHJDEGQ-NDZAJKAJSA-N 430.498 6.980 30 10 IKEE CCCCCCCOc1ccc(NC(=O)CNc2ccccc2OCc2ccccc2)cc1 100087839 LIKBIORLBHZDHI-UHFFFAOYSA-N 446.591 6.665 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3ccccc3OC)cs2)cc(Br)c1O 169940167 QTSCYCSSLNFPMX-FBHDLOMBSA-N 448.342 5.132 30 10 IKEE CCCOc1c(OC)cc(/C=N\Nc2nc(-c3ccccc3OC)cs2)cc1OC 169943073 YXZPNCKQWPHOKS-QRVIBDJDSA-N 427.526 5.071 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2cccc(C)c2)cc1 169968845 CBZVCOUDVBBTSK-AREMUKBSSA-N 449.506 5.940 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@@H]2c2cccnc2)c(C)c1 170009256 WRELRDVCZFCSGL-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2ccccc2C)cc1 170029982 GLPWLLJSFYPZDH-XMMPIXPASA-N 443.499 5.185 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2ccccc2)c1 170036501 OGLWZKGCXSNKTF-SANMLTNESA-N 449.506 6.021 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 170068145 GYYVXKGEWIZPND-QHCPKHFHSA-N 446.934 5.637 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccccc1F 170070260 CDHJHJHZJOPRGU-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2cccc(C)c2)cc1 170140227 JKYZZAMAYSTRNB-DEOSSOPVSA-N 445.490 5.706 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccc(C)c2)c1 170142706 QWJBGOAWBDWDDJ-DEOSSOPVSA-N 427.500 5.485 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(OC(C)C)cc1 170151974 WYFZRFYCCAJEMY-NRFANRHFSA-N 427.928 5.506 30 10 IKEE Cc1ccc(-c2nc(C3=C(N)N(Cc4ccc(OC(C)(C)C)cc4)CC3=O)sc2C)cc1 170179196 LJOMJMFWRSEGNG-UHFFFAOYSA-N 447.604 5.316 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@@H]1c1ccc(Cl)cc1 170236032 RWYHEKBJMMXQTF-IBGZPJMESA-N 434.319 5.380 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(F)cc1 170241201 PLCLSDAIUHCHCM-QHCPKHFHSA-N 447.506 5.803 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCCOC)cc1 170266911 XNRNMTCXOKDHNC-DEOSSOPVSA-N 429.516 5.017 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccc(C)o2)cc1C 170302255 IWMMCTBBYRWRCU-XMMPIXPASA-N 445.515 5.613 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(C)cc2C)cc1 170454401 WMIPJJGDDRIOEJ-VWLOTQADSA-N 434.580 5.665 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C(C)C)cc2)ccc1O 170463700 BJDNDXUESQHUJE-HSZRJFAPSA-N 447.487 5.290 30 10 IKEE Fc1c(F)c(F)c(C=NNc2cc(-c3ccccc3)nc(-c3ccccc3)n2)c(F)c1F 254352325 SBGTZHOCELNPCL-UHFFFAOYSA-N 440.375 5.952 30 10 IKEE COc1cc(N=Cc2cc(Br)cc(Cl)c2O)ccc1NC(=O)c1ccco1 254743915 PMSZPJFLCGMBSG-UHFFFAOYSA-N 449.688 5.413 30 10 IKEE C=C(COCCC)[C@@H](NCCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 407170728 ZIXHDIVGVUGQAN-LJQANCHMSA-N 441.410 5.820 30 10 IKEE CC(C)COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccnc2)c1 526603620 AOBRQQMISRGXKL-DEOSSOPVSA-N 425.488 5.045 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(OC)cc2)c1 526607287 UQFCRSWVYXNUBA-DEOSSOPVSA-N 426.472 5.023 30 10 IKEE CC(C)c1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(SCc3ccco3)C2=O)cc1 526668692 NRZTVGCUUALKSY-UHFFFAOYSA-N 443.528 5.405 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2sccc2C)cc1 526805796 SKARORHHMXDYLR-XYGWBWBKSA-N 432.618 5.916 30 10 IKEE CCCCCCCOc1ccccc1/C=N\n1cnnc1SCc1ccc(Cl)cc1 526806806 VPUMSYORAAYMKK-QQXSKIMKSA-N 443.016 6.455 30 10 IKEE Cc1cc(C)cc(CSc2nnc(C)n2/N=C\c2ccccc2OCc2ccccc2)c1 526809834 OYFAPTWFJMBEGX-YUMHPJSZSA-N 442.588 5.957 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1ccc(O)c([N+](=O)[O-])c1 526811076 AUGATSKTTOOWHV-QRVIBDJDSA-N 439.541 5.026 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccc(Br)cc1 526811248 GHGQARGANMRZCK-UUYOSTAYSA-N 449.805 5.821 30 10 IKEE C=CCNC(=O)Nc1cccc(C(=O)Nc2scc(-c3ccccc3)c2C(=O)OCC)c1 586637355 SERKCRBIDAYKEF-UHFFFAOYSA-N 449.532 5.152 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1cccc2c1OCC2 693149309 CDOHVOIAWIVREW-SFHVURJKSA-N 429.314 5.390 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)c1 698425747 CGGOWDXTFZSJPR-OSPHWJPCSA-N 445.560 5.118 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCCC[C@H]1C(C)(C)C 710752915 UZITWODAPCFIEQ-PGRDOPGGSA-N 435.406 6.689 30 10 IKEE C[C@@]12CC[C@@]3(C)[C@@](C)(CC[C@@]4(C)C(=O)/C(=C\c5cccnc5)C[C@]34C)[C@@]1(C)CC[C@H](O)C2 1082488537 KJQCPCBMQUPVPN-DOHZEPLVSA-N 435.652 6.608 30 10 IKEE C[C@@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@]43C)[C@@H]1CCC2=NN=C/C=C/c1ccc([N+](=O)[O-])cc1 1084023711 PZDUXRAQOKZFJJ-ZQUOIQKZSA-N 447.623 7.468 30 10 IKEE O=C1CS/C(=N\N=C2\Oc3ccccc3[CH][C@@H]2c2ccc(Cl)cc2)N1c1ccccc1 1614732841 AERSYFCFJQBQQO-NLAIAWIOSA-N 446.939 5.518 30 10 IKEE CCOC(=O)[C@@H](Oc1ccc2c(c1)O/C(=C/C=C/c1ccccc1)C2=O)c1ccccc1 1772721801 QNJSQLOKZOIRFR-SAVCETGTSA-N 426.468 5.542 30 10 IKEE O=C1N=C(NN=Cc2ccccc2)S/C1=C\c1ccc(-c2nc3ccccc3s2)o1 1772724801 RNOMBIHZBHHJMD-VDFVIHNLSA-N 430.514 5.150 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(C(C)C)cc2)SC1=Nc1nc(-c2ccccc2)cs1 1772737944 OFFZIOZQXLVCET-OWJZXNPYSA-N 445.613 6.724 30 10 IKEE N#Cc1cccc(NC(=O)Oc2cccc3c(NC(=O)c4cc(F)ccc4F)cccc23)c1 1858779540 WNQZQZZLCZZKGM-UHFFFAOYSA-N 443.409 5.853 30 10 IKEE N#Cc1c(NC(=O)CCc2ncc(-c3ccc(Br)cc3)o2)sc2c1CCC2 1859749160 IADHDLJKKGRFGK-UHFFFAOYSA-N 442.338 5.097 30 10 IKEE N#Cc1cccc(C(=O)Nc2ccc(Cl)c(NC(=O)c3cccc(C(F)(F)F)c3)c2)c1 1860460612 OJCMLCAUXDCGCX-UHFFFAOYSA-N 443.812 5.735 30 10 IKEE CCCCCCCCNC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 1861821367 KANNKLMRXLNKNE-NRFANRHFSA-N 445.947 5.196 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc(C)c(C)c1 1861827335 USOIHFXOZWUHFH-DEOSSOPVSA-N 426.576 5.260 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(OC)c(C)c2)n(-c2cccc3ccccc23)n1 1862335733 HBZJFCCOQJOPPE-UHFFFAOYSA-N 437.543 5.824 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(OC)cc2)n(Cc2c(F)cccc2Cl)n1 1862374839 BEMGHFGFBPOUJV-UHFFFAOYSA-N 439.918 5.214 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2c(F)cccc2Cl)cc1C 1862404358 BLBAOECTFSQLDM-NRFANRHFSA-N 445.918 5.421 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1cccc(F)c1 1862413374 AWUOXPFTUIFVQA-XFPJRNFQSA-N 429.438 5.261 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@H](C)CC)c1 1862419604 WLBFZAMJCZJGHF-SPLOXXLWSA-N 429.463 5.130 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2cccc(C)c2)cc1 1862514050 DBMRIFHXTWQFFE-RZPHLTDDSA-N 447.575 5.941 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc(O)c(OC)c2)cc1 1862530987 CMPSXVUWBKSGEI-SRDOKRBCSA-N 449.547 5.120 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(C)cc1 1862613921 SSBMKBUYEOHNET-XMMPIXPASA-N 433.592 6.451 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccc(O)cc2)cc1 1862688655 YJTZAOQDMKXFEI-QHCPKHFHSA-N 435.520 5.092 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1c(Cl)cccc1Cl 1862760696 UMDFZDSNYWFRDN-SFHVURJKSA-N 449.290 5.136 30 10 IKEE CSc1cccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1862798858 UFDIBVVPBOBIPN-UHFFFAOYSA-N 445.931 5.330 30 10 IKEE N#Cc1ccccc1NC1=C(c2ccc(Cl)cc2)C(=O)N(c2ccccc2Cl)C1=O 1862800706 MDYJONAYYUUWLW-UHFFFAOYSA-N 434.282 5.262 30 10 IKEE COc1ccc(C2=C(Nc3cccc4ccccc34)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862968658 ZHVPNGGGCBKIEH-UHFFFAOYSA-N 445.478 5.117 30 10 IKEE CC(C)c1ccc(NC2=C(c3c[nH]c4ccccc34)C(=O)N(c3ccccc3C#N)C2=O)cc1 1863136467 POPZYTLHFMSNPX-UHFFFAOYSA-N 446.510 5.560 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2cccc(C)c2)=C(c2ccccc2Cl)C1=O 1863778787 UGNSJMSSWFVEAU-UHFFFAOYSA-N 438.999 5.879 30 10 IKEE CCC[C@H](NC(=O)c1cccc(Oc2ccccc2)c1)C(=O)N[C@H](C#N)c1ccc(C)cc1 1867701284 UAYVDOSIKLCZMW-LOSJGSFVSA-N 441.531 5.067 30 10 IKEE CC(C)c1ccc(-n2nnc(C#N)c2NC(=O)CCCOc2ccc3ccccc3c2)cc1 1870144890 MTWFYPFZLRFWAO-UHFFFAOYSA-N 439.519 5.213 30 10 IKEE CCCCCCCCn1cc(OCCc2ccc(OC)cc2)c(=O)cc1CN(CC)CC 1870605739 PVXOWZRBFOSVNW-UHFFFAOYSA-N 442.644 5.681 30 10 IKEE CCCCCCCCn1cc(OCc2cccc(OC)c2)c(=O)cc1CN1CCCCC1 1870608401 DZXMECSBAGYYGX-UHFFFAOYSA-N 440.628 5.782 30 10 IKEE C=CCOc1cn(CCc2ccccc2)c(CNc2cc(C(C)C)cc(C(C)C)c2)cc1=O 1870810035 IIZMUKBCTHLBII-UHFFFAOYSA-N 444.619 6.515 30 10 IKEE CCCCCCCOc1cn(CCc2ccccc2)c(CNc2ccccc2C)cc1=O 1870830389 LUNUQOHARFQLAA-UHFFFAOYSA-N 432.608 6.361 30 10 IKEE CCCCCCCOc1cn(CCC)c(CNc2ccc(Br)cc2)cc1=O 1870832005 MDYOZLZOHJFJFI-UHFFFAOYSA-N 435.406 5.982 30 10 IKEE Cc1c2c(cc3c1O/C(=C\C=C\c1ccccc1)C3=O)CN(Cc1nc3ccccc3[nH]1)CO2 1871355841 ZGMNWPSJXKILOX-OBJYXWAWSA-N 449.510 5.396 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc(F)cc4)ccc3C2=O)c1 1871366147 USJQVGLNDAKHSB-QXUOMHFPSA-N 446.430 5.078 30 10 IKEE Cc1c(OC(=O)c2ccc([N+](=O)[O-])cc2)ccc2c1O/C(=C\c1ccc(Cl)cc1)C2=O 1871370768 DIBPXQSLQSGLSC-NDENLUEZSA-N 435.819 5.392 30 10 IKEE C[C@@H](Oc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O)C(=O)Nc1ccc(F)cc1 1871400756 KGSGGCZJGVJOJO-JCRYTKJOSA-N 437.854 5.501 30 10 IKEE CC(C)=C1Oc2cc(OCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc2C1=O 1871430952 ODQGMTMDSBXCSM-UHFFFAOYSA-N 425.790 5.245 30 10 IKEE C=CCN([C@@H](CC)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1872019685 YVFLUBNYIPVMDS-QHCPKHFHSA-N 442.625 5.195 30 10 IKEE C=CCN([C@H](C(=O)Nc1cccc(C(C)(C)C)c1)[C@H](C)CC)S(=O)(=O)c1cccs1 1872234242 JSUBPQJDJNGZJD-UTKZUKDTSA-N 448.654 5.276 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1cccs1 1872458542 RULAMBHVZSAQEK-GOSISDBHSA-N 441.018 5.084 30 10 IKEE CC(C)(C)c1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 1872760008 FHRYRHQMVQPROG-USXRGHEGSA-N 436.580 7.150 30 10 IKEE COc1cccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)c1 1872762853 XZLWTTHWLDPAJZ-WBMJQRKESA-N 447.343 5.769 30 10 IKEE COc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 1872768834 DAFUOYROMJAWLF-UFNQUYMESA-N 429.328 6.015 30 10 IKEE Cc1cccc(C)c1OCCCC(=O)[C@H](C#N)c1nc(-c2ccc(C(C)(C)C)cc2)cs1 1872773730 WQRPBQUSAKQTEV-QFIPXVFZSA-N 446.616 6.760 30 10 IKEE CC(C)c1ccccc1O[C@H](C)C(=O)[C@@H](C#N)c1nc(-c2c[nH]c3ccccc23)cs1 1872777414 NBAJYOLEKIAEOT-VQIMIIECSA-N 429.545 6.059 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccccc3C(C)C)n2)c(C)c1C 1872778754 SUKIUDZZDPLMMW-WIYYLYMNSA-N 448.588 6.203 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(C)c(C)c3)n2)c2ccccc12 1872787420 JLHXBVVVMYKIFX-JOCHJYFZSA-N 426.541 6.008 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2OC)C(=O)N(C2CCCCCCC2)C1=O 1873152642 KURGYEQDEQMCHW-UHFFFAOYSA-N 440.628 5.838 30 10 IKEE CCCCCCN1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(-n3cccc3)cc2)C1=O 1873204700 PPAFIPPENGTHKT-UHFFFAOYSA-N 438.531 5.121 30 10 IKEE O=c1c(Cl)c(N/N=C/c2ccc(Cl)cc2Cl)cnn1-c1ccc(Cl)cc1 1873526653 PNZSBFBJTDIZPJ-GZIVZEMBSA-N 428.106 5.292 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(CCCC)cc2)cc2c(NCc3ccccn3)ncnc21 1873633615 VZSBIYRUWYOHFA-UHFFFAOYSA-N 440.551 5.219 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1sccc1C 1874216445 UENPQLMKDLTWGY-YDZHTSKRSA-N 447.029 5.863 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CCc2ccccc2Cl)nnc1SCC=C 1874279788 RURJXYCDVYGATF-KOEQRZSOSA-N 438.984 5.442 30 10 IKEE CCCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc(O)c(OCC)c1 1874279970 WVOZIMNQHCRGOX-BUVRLJJBSA-N 444.988 5.205 30 10 IKEE Clc1ccc(CCc2nnc(SCc3ccccc3)n2/N=C/c2ccncc2)cc1 1874283283 YWSKQLPCAAMYIE-WGOQTCKBSA-N 433.968 5.286 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2/N=C/c2cccn2C)cc1 1874355948 JPUXSBZKYCKWSB-WGOQTCKBSA-N 429.593 5.307 30 10 IKEE Clc1ccccc1/C=N/n1c(CCc2cccs2)nnc1SCc1ccccc1 1874371939 ZBMMFJKECOUCGW-BUVRLJJBSA-N 439.009 5.953 30 10 IKEE Cc1ccccc1/C=N/n1c(SCCc2ccccc2)nnc1[C@@H](C)c1ccccc1 1874395457 NBFVPYSVFZVCMC-YQEDBCDYSA-N 426.589 5.955 30 10 IKEE CCc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2cccc(C)c2)cc1 1874416070 XHXHCIHNCMHJEI-OVVQPSECSA-N 426.589 5.914 30 10 IKEE C=C(C)CSc1nnc(Cc2ccccc2)n1/N=C/c1cccc(Br)c1 1874416829 KBLVLDLCZBVKFE-LPYMAVHISA-N 427.371 5.182 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccccc2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874426089 QRQIQXJZKUMPJX-BUVRLJJBSA-N 429.505 5.336 30 10 IKEE CCOc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2cccc(F)c2)c1 1874438979 DKEHXESBESBSKB-MFKUBSTISA-N 426.561 5.579 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc(Cl)cc1 1874439955 BRDLEZMZORFGKD-ZMOGYAJESA-N 433.408 6.348 30 10 IKEE COc1cc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccc(Cl)cc2)ccc1O 1874440907 ZGZWYKPYKYESRB-ZMOGYAJESA-N 444.988 5.409 30 10 IKEE Fc1cccc(CSc2nnc(C(F)(F)F)n2/N=C/c2ccc(C(F)(F)F)cc2)c1 1874461028 SGLPAFGLYLRVKZ-JQAMDZJQSA-N 448.367 5.629 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2cccc3ccccc23)nnc1C(F)(F)F 1874461760 FERXSJATGHARQF-LGJNPRDNSA-N 426.467 5.933 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1ccc(Cl)cc1 1874476578 PUEBVUXAKLYGDE-ZMOGYAJESA-N 445.951 5.026 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1/N=C/c1ccc(C)cc1 1874478312 ZAFCMTMTSYFQFA-MFKUBSTISA-N 435.597 5.159 30 10 IKEE CCCc1nnc(SCc2ccccc2C)n1/N=C/c1ccc(OCC)c(OCC)c1 1874504991 LPGHVGKCCLINDH-PCLIKHOPSA-N 438.597 5.511 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1ccc(C(C)C)cc1 1874505452 YFUUVCFLLJFSRN-AFUMVMLFSA-N 439.560 5.106 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C(C)C)c1OC 1874513612 HXEXOLUKQGDWEA-FSJBWODESA-N 430.961 5.247 30 10 IKEE O=[N+]([O-])c1cc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CC2)ccc1Cl 1874519643 DQSLUVZFGVNUSG-LSHDLFTRSA-N 448.335 5.545 30 10 IKEE FC(F)(F)c1nnc(S)n1/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 1874559585 ADZBVQNFXHLPOJ-LIMNOBDPSA-N 447.269 5.354 30 10 IKEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1ccc2ccccc2c1)NC1CCCCC1 1874571283 FONYNDUVRFJVBS-WYMLVPIESA-N 447.962 6.217 30 10 IKEE Cc1cc(C(=O)/C=C/c2cc(Cl)ccc2OCc2c(F)cccc2Cl)ccc1F 1874581328 IFGVUYITDZEYTB-RMKNXTFCSA-N 433.281 7.055 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(F)cc2)c1OCc1cccc(Cl)c1 1874583756 DZXYFANYERPNDK-JXMROGBWSA-N 431.290 6.616 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2cc(Br)cc(OC)c2OC)cc1Cl 1874588695 ZIXGLPUHNKCACP-AATRIKPKSA-N 441.705 5.033 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3cccc(C)c3)c(OC)c2)cc1OC 1874603322 SLPRTNVBSBKTOM-PKNBQFBNSA-N 448.515 5.505 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1ccccc1Cl 1874608869 LLUSAGWJSOLBBM-YRNVUSSQSA-N 428.271 6.377 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)cc1 1874609230 GAMDXYHXFDQGFX-WUXMJOGZSA-N 443.326 6.486 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OCC(=O)Nc1ccccc1C 1874613064 ANUQVWVXLBVMHK-ACCUITESSA-N 449.934 5.961 30 10 IKEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2[N+](=O)[O-])o1 1874617607 KQYCGXKZYZRSJR-WEVVVXLNSA-N 435.432 5.066 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2F)c([N+](=O)[O-])c1)c1cccc2ccccc12 1874623110 MMSYJSXHTKYRLH-WYMLVPIESA-N 427.431 6.362 30 10 IKEE C=CCOc1c(Br)cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1OCC 1874629408 BASUBKVLWOBJQC-MDZDMXLPSA-N 443.381 6.542 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1OC(=O)Cc1ccccc1 1874701903 CQMPQFURXHLFSU-YRNVUSSQSA-N 441.310 6.046 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2cccs2)CSc2nnc(-c3ccco3)n21 1874915515 NMGVGRKBBJANMF-MRXNPFEDSA-N 430.599 5.662 30 10 IKEE CCCCCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2ccc3ccccc3c2)cc1OC 1875096645 XZHWBGVWCTZOGK-DTQAZKPQSA-N 446.543 6.629 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2[N+](=O)[O-])cc1C 1875117475 HQUVTXXUKRVAMO-NYYWCZLTSA-N 446.415 5.235 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1)c1ccc(Cl)c(Cl)c1 1875120331 OTGIIRJCPCHDCU-XCVCLJGOSA-N 433.237 6.387 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(Cl)cc3)c([N+](=O)[O-])c2)c1 1875139456 JSPHTHCMTZQTGY-YRNVUSSQSA-N 449.890 5.909 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)cc2)ccc1F 1875141061 LPNHSVHQWGYXKY-FALBMNKOSA-N 446.518 6.527 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(C)c3)cc2[N+](=O)[O-])c1 1875142022 HULXTQPWEBNCGO-YRNVUSSQSA-N 449.434 5.556 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3ccccc3C)cc2)cc1C 1875175896 MJYMPTGGDFKOTR-GHRIWEEISA-N 428.528 6.273 30 10 IKEE CC1(C)OB([C@]23C[C@H]2CCN(Cc2cccc(Br)c2Cl)C3)OC1(C)C 1879796401 VDFKCHMTFZFCFP-KUHUBIRLSA-N 426.591 5.161 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CC1)CC(C#N)(N(C(=O)OC(C)(C)C)C1CCCC1)C2 1917723675 BLJUWXLTAZFJQV-UHFFFAOYSA-N 433.593 5.240 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1C[C@H]2[C@@H](C[C@H]2NC(=O)OC(C)(C)C)C1 1922065798 OZWUBIGDOAORIF-SJSRKZJXSA-N 428.617 5.067 30 10 IKEE COc1cccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2C)c1Br 1927303895 JXSNUGUMTPOWPY-KRWDZBQOSA-N 431.330 5.773 30 10 IKEE C[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)[C@H](C)CN1C(=O)OC(C)(C)C 1944380610 WTANGYJIPMZTRR-QZTZHPFYSA-N 429.561 5.356 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)C2(C#N)CC(CCNC(=O)OC(C)(C)C)C2)c1 2007657821 UMICHWYHWWHNCF-UHFFFAOYSA-N 429.561 5.324 30 10 IKEE CC1(C)C[C@@H]([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)N(C(=O)OC(C)(C)C)C1 2033724614 XTXCKLJRGPIUGZ-PMACEKPBSA-N 449.636 5.874 30 10 IKEE C[C@@]1(Nc2ccc(C#N)c(Br)c2F)CCCN(C(=O)OCc2ccccc2)C1 2043969817 BOQWIAMIDDNPLY-OAQYLSRUSA-N 446.320 5.063 30 10 IKEE CC(C)[C@@H](c1ccc(C2CC2)cc1)n1nc(C(C)(C)C)c(C#N)c1I 2079063568 KJUXPNUMFABZNN-SFHVURJKSA-N 447.364 5.780 30 10 IKEE CCOc1ccc([C@H](C2CCC2)n2nc(C(F)(F)F)c(C#N)c2Br)cc1 2080107026 ILBFKGIEHMYOGE-HNNXBMFYSA-N 428.252 5.324 30 10 IKEE COc1ccc(C(F)(F)F)cc1-n1nc(C2CCCCC2)c(C#N)c1Br 2080312316 YGJQFMWCTYTOQW-UHFFFAOYSA-N 428.252 5.582 30 10 IKEE N#Cc1cnc2c(-c3cc(C(F)(F)F)cc(Cl)n3)c(C3CCCC3)nn2c1Cl 2081145668 DPXMNMGYUHBXCR-UHFFFAOYSA-N 426.229 5.646 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Cl)cc(Br)c1 2081552497 OWTNEMCCGKAPFU-DLBZAZTESA-N 429.786 5.060 30 10 IKEE C=CCCCCCCCC[C@H](NC)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2086261692 NPMCMRKOAJJOAV-PZUNEJSGSA-N 446.676 6.380 30 10 IKEE CC(C)(C)OC(=O)NC1(CC(=O)C2=Cc3ccccc3C2)CCN(Cc2ccccc2)CC1 2088989723 KAERYDGFYCQYFI-UHFFFAOYSA-N 446.591 5.145 30 10 IKEE CN(c1ccc(C#N)c(Br)c1F)[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2151256248 ACASTNIAOLWDKN-REPLKXPHSA-N 428.349 5.092 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CNC2(CCCCC2)C1 2155300211 NUKREAHOYUIZBH-OAQYLSRUSA-N 434.378 5.149 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1cc(Br)ccc1OCCC 2164222393 TVPTXMVXLSFKDM-HSZRJFAPSA-N 432.402 6.052 30 10 IKEE CCC1CCC([C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)CC1 2168398018 UPJNCUKDLZLAOM-CNXQINBVSA-N 435.406 6.689 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CN(c2ccc(C#N)c(Br)c2)C2(CCCCC2)C1 2174809339 YQGKCNFEQSJMSL-MRXNPFEDSA-N 434.378 5.127 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](CNc2ccc(Br)cc2C#N)[C@@H]2CCCC[C@@H]21 2179392948 MXZINMACBQCKFE-IEZWGBDMSA-N 434.378 5.158 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)c1ccccc1NC(=O)OC(C)(C)C 2235719923 OHORCTSBWYQXLX-LJQANCHMSA-N 429.358 5.498 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)cc1CC 2237539155 IIFDCXSBUBABMG-PMACEKPBSA-N 439.438 5.912 30 10 IKEE CC1(C)OB(c2cccc(Cl)c2C(=O)N(Cc2ccccc2)c2ccccc2)OC1(C)C 2267489195 VQXWVRPYZWWXKS-UHFFFAOYSA-N 447.771 5.486 30 10 IKEE C=CC[C@H](C)[C@H](NCCC)[C@@](C)(O)c1cc(Br)c(Br)s1 2281227645 YKTOWJICEPKOFK-XEGUGMAKSA-N 425.230 5.061 30 10 IKEE C=CCCC[C@@H](NCCC)[C@@](C)(O)c1cc(Br)c(Br)s1 2281280078 LXAQKPXNFWLQIJ-IUODEOHRSA-N 425.230 5.205 30 10 IKEE COc1cc(Cl)c([C@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)cc1Cl 2281483220 SKBOCKHVYMXVCV-INIZCTEOSA-N 427.353 6.065 30 10 IKEE C[C@H](N=Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)c1ccccc1 2295880063 NHIVKJVPLGQPJF-JHOBJCJYSA-N 429.567 7.222 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](CCC(=O)C#Cc2ccc(Br)cc2)C1 2296217329 SXTNGPQQROCXOD-HKUYNNGSSA-N 434.374 5.233 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C 2296269530 PISPXZMEFAHLST-RBUKOAKNSA-N 437.422 5.108 30 10 IKEE CC(C)[C@@H](CCNC(=O)OC(C)(C)C)CC[C@@H](N)C#Cc1ccc(Br)cc1 2296309638 YNHYMSGWUQZXPN-QUCCMNQESA-N 437.422 5.095 30 10 IKEE CCOc1cccc(C=C2SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)c1 2296826693 DMVNZPBABRIATL-UHFFFAOYSA-N 428.557 6.511 30 10 IKEE COc1ccc(C(=O)C=C(CC(=O)c2ccc(Br)cc2)c2ccccc2)cc1 2297554394 ZSSXBNVKMBKHSS-UHFFFAOYSA-N 435.317 5.997 30 10 IKEE CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2299165544 YNHLTHVYXFNLBL-ZWKOTPCHSA-N 433.524 5.105 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C3CCCCC3)C2)C1 2301580081 MVVMFBUYITZMCO-XMMPIXPASA-N 433.593 5.240 30 10 IKEE C=CCC1([C@H](NCC)c2cccc(OCc3ccccc3)c2)CN(C(=O)OC(C)(C)C)C1 2314448063 DQNJEGRECRVWAG-XMMPIXPASA-N 436.596 5.729 30 10 IKEE C=CCN1C(=O)C(=Cc2cccc(OCc3ccc(C)cc3)c2)SC1=Nc1cccnc1 2314542458 VIOPYAUDRVXLJO-UHFFFAOYSA-N 441.556 5.759 30 10 IKEE C[C@@H]1CC(C#N)(N(C(=O)OC(C)(C)C)c2cccc(Br)c2)C[C@@H](C)S1 2317628420 AKLVTFMWFCHQSB-ZIAGYGMSSA-N 425.392 5.757 30 10 IKEE Oc1ccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C2CC2)cc1O 2320867907 XHIOHICXZVVKHZ-UHFFFAOYSA-N 435.336 5.048 30 10 IKEE FC(F)(F)c1nnc(S)n1N=Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1 2321914990 ADZBVQNFXHLPOJ-UHFFFAOYSA-N 447.269 5.354 30 10 IKEE CCCCCOc1ccc(C=Nn2c(S)nnc2COc2ccc(Cl)cc2)cc1 2322145509 AUWPZEUDOHQADC-UHFFFAOYSA-N 430.961 5.250 30 10 IKEE CCOc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN([C@H]1CCCC[C@H]1C)C3 2322153095 FBBMPWPZZHSXIJ-UTKZUKDTSA-N 433.548 5.741 30 10 IKEE COc1ccccc1CN1COc2c(cc3c(c2C)OC(=Cc2ccccc2Cl)C3=O)C1 2322318975 NJUXFPZRIWYWMA-UHFFFAOYSA-N 447.918 5.625 30 10 IKEE Cc1ccc(CCC(=O)Oc2ccc3c(c2C)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)cc1 2323086025 KYYADVJUVWCOPN-UHFFFAOYSA-N 443.455 5.366 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Br)c2)cc1OCc1ccc(F)cc1 2323097830 LSYOCOBITMPKPS-UHFFFAOYSA-N 441.296 6.072 30 10 IKEE COC(=O)c1ccc(COc2cccc(C=CC(=O)c3cccc(Br)c3)c2)o1 2323097888 COVIMUGEYIORLF-UHFFFAOYSA-N 441.277 5.304 30 10 IKEE CCc1ccc(NC(=O)COc2cccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 2323099662 XDIRDDHECJZTMT-UHFFFAOYSA-N 430.460 5.071 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)C=Cc1cccc(Cl)c1 2323135244 AHJXXOVEUQDAKH-HSZRJFAPSA-N 435.052 6.285 30 10 IKEE COc1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=CC=Cc2ccccc2)C3=O)cc1 2323423984 DYKQRATZCODYAQ-UHFFFAOYSA-N 438.479 5.795 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cc(C)ccc3C)c(Cl)c2)cc1 2323628474 OHLHXUOYXFADBR-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccs2)C3=O)c(OCC)c1 2323780631 LSIPFZOZECYAMG-UHFFFAOYSA-N 436.485 5.381 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OC(=O)c3cccc(OC(C)C)c3)c2C)C1=O 2323812598 ICLHJEVIBFRVDB-UHFFFAOYSA-N 428.484 5.926 30 10 IKEE C=C(C)COc1c(Cl)cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1OCC 2323888925 SBXWTGBVHJSMML-UHFFFAOYSA-N 425.739 6.897 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2)c1C 2324155728 GXUDKHCXFUFOMS-UHFFFAOYSA-N 427.544 6.340 30 10 IKEE CCCOc1c(Br)cc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OCC 2324171726 HHXQOJHGZXWVDU-UHFFFAOYSA-N 431.370 6.656 30 10 IKEE Cc1ccccc1C=C1Oc2cc(O[C@H](C)C(=O)Nc3ccccc3Cl)cc(C)c2C1=O 2324397325 AMYDNKOVBZQMCR-QGZVFWFLSA-N 447.918 5.979 30 10 IKEE CCOc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2F)C3=O)cc1 2324521395 SZHYTEZAEIDEDX-INIZCTEOSA-N 447.462 5.247 30 10 IKEE CCOc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccco2)C3=O)cc1 2324521622 ANAVUIBZQPHBFE-INIZCTEOSA-N 433.460 5.009 30 10 IKEE CC(C)c1ccc(C=C2Oc3cc(OCCCCOc4ccccc4)ccc3C2=O)cc1 2324574742 CVRJAAGKNXFOID-UHFFFAOYSA-N 428.528 6.664 30 10 IKEE CCCCCCCOc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccco3)n2)cc1 2324665834 JBHHMXAIMRSJIO-QFIPXVFZSA-N 434.561 6.642 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 2324693512 GBOJJRGGZNUNJG-GOSISDBHSA-N 449.934 5.501 30 10 IKEE CCCCCCOC(=O)COc1ccc2c(c1)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2325027780 TYCMCLRBVGOXIA-UHFFFAOYSA-N 449.330 6.112 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4c(C)cccc4C)cc(C)c3C2=O)cc1 2325141986 KJVHTCDQQUMMMO-FQEVSTJZSA-N 441.527 5.942 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2)cc1 2325705828 ITCFYIUTYQTGFA-UHFFFAOYSA-N 435.863 5.926 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1cccc(Cl)c1)C2=O)Nc1cccc(Cl)c1 2325717105 WONLPSLYHWHNSK-UHFFFAOYSA-N 440.282 5.627 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cccs3)c2)cc1 2325751956 JWUXWOGQDOUVBJ-UHFFFAOYSA-N 448.584 7.213 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2cccc(OC(=O)c3ccccc3C)c2)c1 2325758334 ZRVUCRFQMPXOGH-UHFFFAOYSA-N 430.500 5.908 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1OC(=O)c1cccc(C)c1 2325765250 SINMJURIEPGROK-UHFFFAOYSA-N 442.555 6.725 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(F)c(F)c3F)c2)cc1Cl 2325769365 ZHKAYPLHNVMZNY-UHFFFAOYSA-N 446.808 5.881 30 10 IKEE CCSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1ccc(Cl)cc1 2326382369 HPWJFZLFXXBVFP-UHFFFAOYSA-N 428.989 5.554 30 10 IKEE CCOc1cccc(C=Nn2c(CCc3cccc4ccccc34)nnc2SCC)c1 2326589386 AWOZAJGMHAKVBE-UHFFFAOYSA-N 430.577 5.609 30 10 IKEE CCCOc1cccc(C=Nn2c(CCCOc3ccc(C)cc3)nnc2SCC)c1 2327175133 NBVORTSNVCYIQC-UHFFFAOYSA-N 438.597 5.381 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccccc3Cl)n2N=Cc2ccc[nH]2)cc1 2327604270 XEICHWRKZHFFAI-UHFFFAOYSA-N 437.956 5.322 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2cccc(F)c2)c(C)c1 2328897872 VAWITNQSKVMDGD-UHFFFAOYSA-N 446.551 5.788 30 10 IKEE C=C(C)CSc1nnc(CCOc2ccccc2)n1N=Cc1cccc(OCCC)c1 2329189932 UHKHKQITZQVEDG-UHFFFAOYSA-N 436.581 5.239 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2cccs2)cc1C 2329395483 FHJZKOPQSQBJRS-UHFFFAOYSA-N 432.618 6.030 30 10 IKEE C=CCSc1nnc(-c2ccccc2Cl)n1N=Cc1cccc(Br)c1 2329597707 MYRYGJIYHVNJQW-UHFFFAOYSA-N 433.762 5.521 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2N=Cc2ccncc2)cc1 2330022047 OONYHBRZYQKSBD-UHFFFAOYSA-N 433.968 5.400 30 10 IKEE C=CCN(CC=C)C(=O)Oc1cccc2c(NC(=O)C=Cc3ccc(C)cc3)cccc12 2330023010 CXNMUROOHCLCMT-UHFFFAOYSA-N 426.516 5.973 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccc(F)cc2)n1N=Cc1cccc(O)c1 2330066043 FMNINXIALQUOOP-KRWDZBQOSA-N 432.524 5.449 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2ccccc2)n1N=Cc1ccccc1O 2330164802 XJYPWJIDIIMUFJ-UHFFFAOYSA-N 428.561 5.252 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cncc(C)c3)c(OCC)c2)cc1 2330844743 HDPSVFCBZOTBQP-UHFFFAOYSA-N 443.543 6.247 30 10 IKEE O=C(Cc1ccc(Cl)cc1)Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1Cl 2330911489 TZSJPDCOECCTNO-UHFFFAOYSA-N 445.729 6.691 30 10 IKEE CCCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccccc2Cl)cc1OC 2330939029 ALPKKLVYJVKWLJ-UHFFFAOYSA-N 437.717 5.713 30 10 IKEE COC(=O)c1ccc(C=Nn2c(SCc3ccccc3C)nnc2C2CCCC2)cc1 2331030481 WJDCZLNUKLWWIA-UHFFFAOYSA-N 434.565 5.205 30 10 IKEE COc1cc(C=Nn2c(SCc3ccccc3)nnc2C2CCCC2)cc(Cl)c1O 2331069473 BPNJOXHUUNGOTI-UHFFFAOYSA-N 442.972 5.478 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3cccc(Cl)c3)cc2)cc1 2331116221 ZNAXDULQNBHSMO-UHFFFAOYSA-N 434.919 6.309 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)c1cncc(C)c1 2331218609 PAGVVBVYFVGHPT-UHFFFAOYSA-N 431.488 5.139 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1N=Cc1ccc(CC)cc1 2331327570 ULCZIPWSFVCXLX-UHFFFAOYSA-N 435.597 5.105 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2OC)cc1 2331330913 MPZMDXLLEXKLBZ-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCCO4)cc2OC)cc1 2331408145 CIOPTHNUKFBRFA-UHFFFAOYSA-N 444.483 5.144 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccccc1O 2331411757 KLUFAHFRQVNFFG-UHFFFAOYSA-N 435.380 5.763 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3)c(Cl)c2)cc1 2331414468 JKOWTHKEZHNZJF-UHFFFAOYSA-N 432.947 6.682 30 10 IKEE CC(C)Cc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1cccc(F)c1 2331461871 QDQCFQRDIZMFGD-UHFFFAOYSA-N 437.371 6.097 30 10 IKEE Cc1ccsc1C(=O)Oc1ccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1 2331592346 ZCKBIHOSJMNULY-UHFFFAOYSA-N 440.520 6.964 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)[C@@H](C)c1ccccc1 2331673284 ADUJSOVJGXRQTJ-FQEVSTJZSA-N 444.527 5.926 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)Cc1ccc(C)cc1 2331703554 VSCQTOOKGKYVPW-UHFFFAOYSA-N 448.946 6.318 30 10 IKEE CCc1ccc(C(=O)Oc2c(Cl)cc(C=CC(=O)c3ccc(C)c(C)c3)cc2OC)cc1 2331704393 JMTYAIQYMMLEPH-UHFFFAOYSA-N 448.946 6.643 30 10 IKEE COc1cc(C=Nn2c(SCc3cccc4ccccc34)nnc2C(C)C)ccc1O 2331705874 XMLYRIIZQATRAX-UHFFFAOYSA-N 432.549 5.443 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)C(C)C)c(OC)c2)c(OCC)c1 2331731041 NFHNXFMGVMEOSO-UHFFFAOYSA-N 446.927 5.604 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3C)cc2)cc1C 2331835384 BGPWWEJGYYSQRW-UHFFFAOYSA-N 428.528 6.055 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)CCOc2ccccc2)cc1 2331875129 UJNCGTPHFXXNDN-UHFFFAOYSA-N 436.891 5.619 30 10 IKEE CC[C@H](C)N(CCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2339578329 FTEKESATWDZZFM-JKGDOXCYSA-N 446.397 5.141 30 10 IKEE CC(C)[C@H](CCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339578331 FTLFRDXBIMRYNC-XUDAUXSOSA-N 446.397 5.044 30 10 IKEE Cc1cc(CN(Cc2ccccc2)CC2CCCCC2)cc(B2OC(C)(C)C(C)(C)O2)c1 2343694072 QEQLFYYOARZXND-UHFFFAOYSA-N 433.445 5.877 30 10 IKEE C[C@H](CCSCc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1)C(F)F 2349810019 FAEKCRHHZTXWQZ-GFCCVEGCSA-N 435.183 5.273 30 10 IKEE CC1(C)OB(/C=C/c2ccc(=NCc3ccc(OCc4ccccc4)cc3)[nH]c2)OC1(C)C 2365051548 CYROUPCMLXEGIR-WUKNDPDISA-N 442.368 5.339 30 10 IKEE O=C(/C=C/c1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1)c1cccc2ccccc12 8426899 FRJUSNJBEHTICZ-FLFKKZLDSA-N 438.526 7.785 30 10 IKEE C=CCn1c(SCc2ccc(OC(C)C)cc2)nc2sc3c(c2c1=O)CCCC3 9993244 KRMDQFQNFORMDD-UHFFFAOYSA-N 426.607 5.602 30 10 IKEE C(=C/c1ccccc1)\C1=NN(c2ccc(/C=N/Nc3ccccc3)cc2)[C@@H](c2ccccc2)C1 15773234 RBLGNQNHYNUEHW-NDAUGLPWSA-N 442.566 7.153 30 10 IKEE O=C(CCSc1nnc(NN=C2CCCCCC2)[nH]1)Nc1ccc(C(F)(F)F)cc1 20837822 VUSBPZVZQBJISP-UHFFFAOYSA-N 440.495 5.067 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2)cc1OC 21234613 NJEIRUGYKXUSIN-MMTVBGGISA-N 440.543 6.073 30 10 IKEE CCn1nc(C)c(CN/C(=N/C(=O)c2cc(C)cc(C)c2)Nc2cccc(SC)c2)c1C 32972046 CWBCDCCRYVKTPM-UHFFFAOYSA-N 449.624 5.257 30 10 IKEE CCCn1cc(CN/C(=N/C(=O)c2ccc(C)c(C)c2)Nc2cccc(CC)c2)c(C)n1 32972933 REZNVYHIWCQDFI-UHFFFAOYSA-N 431.584 5.179 30 10 IKEE COc1ccc(/C=C2/CCc3ccccc3C2=O)cc1COc1ccc([N+](=O)[O-])c(C)c1 33248982 KKRCBYMADURPBY-ZHZULCJRSA-N 429.472 5.703 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccc(Cl)cc1)c1cc2ccccc2o1 33379838 NIKIRGZABONCBG-JOCHJYFZSA-N 444.874 5.260 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(C(C)(C)C)cc4)c3C)C2=O)cc1 41288441 IGYNQNMERIMAQN-JLPGSUDCSA-N 442.511 6.137 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1cc(C)c2c(c1)O/C(=C\c1ccccc1C)C2=O 41290074 QYUFHYDEISLABM-XKZIYDEJSA-N 430.456 5.156 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O3)CN(Cc1ccco1)CO2 41648293 CMKJFDZXWSCPCK-QRVIBDJDSA-N 429.516 5.854 30 10 IKEE C=CCOc1ccc(NC(=S)NC(=O)C(C)(C)CCCOc2cc(C)ccc2C)cc1 66201645 ZNDOSZRQQZWPDY-UHFFFAOYSA-N 440.609 5.567 30 10 IKEE CCCN(CCC)C[C@@H](O)Cn1cc(/C=C\C(=O)c2ccc(OCC)cc2)c2ccccc21 96498702 HCFKZLXAHFGJTC-ODTUPPAISA-N 448.607 5.419 30 10 IKEE O=C1/C(=C2/S/C(=N\c3ccc(Cl)cc3)N=C2O)c2ccccc2N1Cc1ccccc1 96835953 BTMOZMHKLNRTCM-QZQOTICOSA-N 445.931 5.989 30 10 IKEE N#Cc1ccc(-c2ccc(OC(=O)/C=C\c3cc(Cl)c4c(c3)OCCCO4)cc2)cc1 97997344 ZFZPSQCXTFVHIE-WCIBSUBMSA-N 431.875 5.659 30 10 IKEE CC(C)(C)C1=CC(/C=C/C2=C[C@H](C(C)(C)C)C(=O)C(C(C)(C)C)=C2)=C[C@@H](C(C)(C)C)C1=O 100237970 ZDIDXLNLBLSWQH-QLCPQDBUSA-N 436.680 7.830 30 10 IKEE CCN1C(=O)/C(=C(\C)c2ccc(Br)cc2)S/C1=N/c1ccncc1Cl 101127425 XQFSYHVUHQIVRZ-GUJZCJQQSA-N 436.762 5.512 30 10 IKEE CCOc1cc(/C=N/Nc2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)c(Cl)c1 169876671 WUGJDFDXWKMVDA-MZJWZYIUSA-N 443.374 7.034 30 10 IKEE CN1C(=S)N[C@H](c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)C2=C1CCCC2=O 169936857 YPAKPJOEDAAKCV-OAQYLSRUSA-N 447.387 5.441 30 10 IKEE CCCOc1c(Cl)cc([C@H]2NC(=S)NC(C)=C2C(=O)c2ccccc2)cc1Cl 169938052 UNTXNQGJGXMXMK-GOSISDBHSA-N 435.376 5.458 30 10 IKEE CCOc1cc([C@H]2NC(=S)NC(C)=C2C(=O)c2ccccc2)cc(Cl)c1OC(C)C 169938290 RAFVWKGWYHNAOO-HXUWFJFHSA-N 444.984 5.202 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2cc(C)ccc2C)=C(O)C(=O)N1c1ccc(F)cc1 169940604 OKJMDEFCYIQECY-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1ccccc1OC 169946264 CRAPCXTWAPXEMJ-XMMPIXPASA-N 443.499 5.104 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccc(O)cc2)cc1C 169958055 DBHRKVLTMVUBIB-RUZDIDTESA-N 441.527 5.915 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2cccs2)s1 169985598 SONUCUJXEWSUJP-MRXNPFEDSA-N 430.938 5.258 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@H]2c2ccncc2)cc1 170017123 NPKCNCXVFJRPOC-QHCPKHFHSA-N 426.516 5.470 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccc(C)cc2)c1 170036904 NTLUBKYQZHIWHZ-DEOSSOPVSA-N 445.490 5.624 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccco2)c1 170038811 MRKGZQFAGQBNQZ-OAQYLSRUSA-N 437.879 5.110 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2ccccc2)c1 170047447 POWYVEPULKGNSM-DEOSSOPVSA-N 427.500 5.485 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@@H]2c2ccccc2C)cc1 170088980 HUIXXJDLTFMUDU-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4cccc(Cl)c4)[C@@H]3c3ccc(C)o3)nc2c1 170103604 IMJXOVOCVPMWJY-FQEVSTJZSA-N 447.878 5.209 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccc(O)cc2)c1 170131915 QRSPPESAUROGOY-XMMPIXPASA-N 443.499 5.272 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(C)c2)ccc1Cl 170143758 VGPQXWXFGAZXJK-NRFANRHFSA-N 437.879 5.029 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)cc(Cl)c2OC)[C@@H]1c1ccccn1 170181036 PZRMQTGTOVGFAS-SFHVURJKSA-N 449.334 5.166 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccccc2)cc1 170224246 ULCQGHHDUQZTLG-VWLOTQADSA-N 441.527 5.819 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccccc2)cc1 170229177 CRRFIYFDPQMQIR-JOCHJYFZSA-N 435.426 5.146 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1ccc(F)cc1 170243954 PWDAGFYAECMYRS-OAQYLSRUSA-N 441.886 5.994 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(C(C)C)cc1 170245918 HSEWKDYCMLNXSJ-VWLOTQADSA-N 449.591 6.366 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccco2)cc1C(C)C 170283508 APRUWFCNFVTNTC-QHCPKHFHSA-N 447.487 5.290 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)cc(C)c3OC)[C@H]2c2ccc(C)o2)cc1 170301329 JFBLKNTWPBVAMC-JOCHJYFZSA-N 447.487 5.005 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccc(C)o2)cc1 170303863 OKCARUIUDRJNQP-QHCPKHFHSA-N 431.488 5.467 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2sccc2C)cc1 170314309 DGDCPABPSXRUFV-JOCHJYFZSA-N 447.556 5.937 30 10 IKEE Cc1[nH]c2ccccc2c1[C@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1c1cccc(Cl)c1 170404752 VPOLHNFWZUHLGV-NRFANRHFSA-N 448.931 5.974 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2nc3ccc(C(C)C)cc3s2)c1 170462456 PHLWLJZWQMFBGS-OAQYLSRUSA-N 448.588 6.243 30 10 IKEE Cc1ccc(OCCCC(=O)Nc2c(C#N)cnn2-c2cc(C)c3cccc(C)c3n2)cc1 170536845 RVXGSWONDFOPDW-UHFFFAOYSA-N 439.519 5.015 30 10 IKEE Clc1cccc(C=NNc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)c1Cl 252616666 KDEOOYRWKMDXQY-UHFFFAOYSA-N 442.354 5.358 30 10 IKEE Cc1ccc(N=C2S/C(=C/c3cccc(O)c3)C(=O)N2c2ccc(C)c(C)c2)cc1C 252624209 PIYTUXFPRDSHRQ-APZKEAJMSA-N 428.557 6.434 30 10 IKEE Cc1ccc(N=c2scc(-c3ccccc3F)n2N=Cc2ccc3c(c2)OCCO3)cc1 254486291 RHIFBNWBUCGKQG-UHFFFAOYSA-N 445.519 5.550 30 10 IKEE Cc1ccc(-n2c(-c3ccccc3)cc(C=Nc3ccc(C)cc3C)c2-c2ccccc2)cc1 254509886 QRFXJRPXECQHFE-UHFFFAOYSA-N 440.590 8.487 30 10 IKEE CCOc1cc([N+](=O)[O-])cc(C=Nc2ccc(O)c(-c3nc4ccccc4s3)c2)c1O 254678005 LMQPPHVBSGAURI-UHFFFAOYSA-N 435.461 5.432 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3)cc2C=NN(c2ccccc2)c2ccccc2)cc1 254699554 GYIKXGVMLDFKAH-UHFFFAOYSA-N 444.538 6.720 30 10 IKEE CC(C)COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccc(O)c2)c1 526489642 XCWAHRHIJIVIND-VWLOTQADSA-N 440.499 5.356 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccco2)cc1OCC 526490652 NVXDKXCURNQGIX-HSZRJFAPSA-N 430.460 5.006 30 10 IKEE O=[N+]([O-])c1cc(/C=N\n2cnnc2SCc2ccc(Cl)c(Cl)c2)ccc1Cl 526813821 APQOILJCHSFQCI-YXSASFKJSA-N 442.715 5.321 30 10 IKEE CCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1ccc(OCC)c(Cl)c1 526823564 XTAUKSOEELZSAS-QFEZKATASA-N 439.972 5.329 30 10 IKEE CCc1nnc(SCc2cccc(F)c2)n1/N=C\c1c(Cl)ccc(Cl)c1Cl 526825524 YBPNNNGUPPSRHL-AQHIEDMUSA-N 443.762 6.114 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCc2cc(F)ccc21 698470273 PFQWUFSKWIEKMN-OAQYLSRUSA-N 431.305 5.695 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@@H](C#N)c1ccc(F)cc1Br 698834330 WYUONVYFBGZDHU-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE CCCCCCCCC[C@@H](O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 702385020 RXKKVZPTMZEOOJ-BVAGGSTKSA-N 432.649 5.657 30 10 IKEE CCCN(CC1CC1)/C(=N/Cc1cc(Br)ccc1F)Nc1ccc(O)cc1 1088684354 QRQUTNYUDZAWJP-UHFFFAOYSA-N 434.353 5.384 30 10 IKEE Cn1cc(/C=C2\SC(=Nc3ccncc3Cl)N(c3ccccc3)C2=O)c2ccccc21 1772737371 ORKHZBOWAPJUPT-WOZVDNMVSA-N 444.947 6.035 30 10 IKEE CCc1ccc(-n2cc(/C=N\NC(=S)Nc3ccc(C)cc3)c(-c3cccs3)n2)cc1 1857809852 CRFFZNVDRNNYFW-MYYYXRDXSA-N 445.617 5.792 30 10 IKEE C=CCN(CC=C)C(=O)Oc1cccc2c(NC(=O)c3ccc(Cl)cc3F)cccc12 1858953215 UOVQOXCZIAGCBE-UHFFFAOYSA-N 438.886 6.057 30 10 IKEE Cc1cccc(Cn2nc(C(=O)Nc3ccccc3C#N)c(Cl)c2-c2ccccc2)c1 1859381241 LBPFXWYOLNYNTD-UHFFFAOYSA-N 426.907 5.684 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccccc2C)cc1 1862389576 IYTXQKQKLXYQIJ-AREMUKBSSA-N 445.603 6.639 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccccc2F)cc1C 1862402109 QPTJRKMQVLCHEJ-MZNJEOGPSA-N 445.490 5.482 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(C)c1 1862442220 HIRBSFOTBUQWLD-GGAORHGYSA-N 439.983 6.586 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2)cc1 1862475631 QXIZTXZZVDCPKW-DFBJGRDBSA-N 425.528 5.897 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 1862481783 IOMKUNSWHYUFDC-HXUWFJFHSA-N 429.438 5.535 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(Cl)c(Cl)c1 1862498442 IUJXSFMNLPEMQI-JLTOFOAXSA-N 432.347 5.987 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(F)cc1 1862502304 WLISSGKOOSMQQD-HSZRJFAPSA-N 449.453 5.060 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2cccc(O)c2)ccc1F 1862507232 HBOUIODMPKBAKT-DEOSSOPVSA-N 445.490 5.051 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@H]2c2ccc(C)cc2)cc1 1862531728 BBMXOZUZNDKDAJ-SANMLTNESA-N 439.555 5.687 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(OC)cc2)cc1 1862535836 LDAGEVAUIONBIC-DEOSSOPVSA-N 445.490 5.175 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2ccc(Cl)cc2)cc1 1862558560 ZGFNUXWKPFVXCS-HSZRJFAPSA-N 446.934 5.052 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cc(Cl)cc(Cl)c2)c1 1862562620 JPVBEIYAAMVCIO-IBGZPJMESA-N 431.319 5.097 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C2CC2)cc1 1862583792 KCXGZCVASMIBGJ-FQEVSTJZSA-N 430.331 5.858 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1Cl 1862584228 SLLRADDMZQRTFT-GOSISDBHSA-N 438.738 5.881 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2ccccc2Cl)c1 1862596553 UYMOXAMKQPMIDD-QHCPKHFHSA-N 447.918 5.441 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1Cl 1862683850 VLLIZMFYOVPTIS-IBGZPJMESA-N 436.310 5.901 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1F 1862749479 ZESNEEHXKPAQOX-QRQCRPRQSA-N 446.434 5.073 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccccc2)=C(c2ccc(OCC)cc2)C1=O 1863206215 ORTOYGYYAJHBIH-UHFFFAOYSA-N 448.607 6.418 30 10 IKEE CCCC[C@H](NC(=O)/C=C(/c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1ccccc1C#N 1866690751 AFTWGLQMAPZVPS-ZMIGGIFCSA-N 429.564 5.282 30 10 IKEE CCCCCCOc1ccc(C(=O)Nc2c(C#N)nnn2Cc2ccc(Cl)cc2)cc1 1870107339 FLKSUYQGRPWLEM-UHFFFAOYSA-N 437.931 5.063 30 10 IKEE CCCCCCOc1ccc(C(=O)Nc2c(C#N)nnn2Cc2c(C)cccc2C)cc1 1870107627 RFAFOUVYEUIECJ-UHFFFAOYSA-N 431.540 5.026 30 10 IKEE CCCCCCCCn1cc(OCCc2ccc(OC)cc2)c(=O)cc1CSCCO 1870162907 DDDKVZNGZWWZQI-UHFFFAOYSA-N 447.641 5.064 30 10 IKEE C=CCOc1cn(CCCCN2CCCC2)c(CNc2ccc(C(C)(C)C)cc2)cc1=O 1870812487 VREXXQWYVPLNAN-UHFFFAOYSA-N 437.628 5.199 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(F)cc2)c(CNc2cccc(F)c2)cc1=O 1870833199 CLPOPNCAWNXOLI-UHFFFAOYSA-N 440.534 6.136 30 10 IKEE C=CCn1cc(OCC=C(C)C)c(=O)cc1CNc1ccc(OCc2ccccc2)cc1 1871058849 LDDHGKFPNGOAPS-UHFFFAOYSA-N 430.548 5.570 30 10 IKEE C=CCn1cc(OCCCCCC)c(=O)cc1CNc1ccc(-c2ccccc2C)cc1 1871123868 CRLGKSWQMGDWAD-UHFFFAOYSA-N 430.592 6.581 30 10 IKEE CCCCCCCCn1cc(OCCCCC)c(=O)cc1CNc1cccc(Cl)c1C 1871130040 DWWVIDWHIJBRHA-UHFFFAOYSA-N 447.063 7.352 30 10 IKEE C=CCn1cc(OCCCCOc2ccccc2C)c(=O)cc1CNc1ccccc1CC 1871227866 IUJDSSSFVYKOOG-UHFFFAOYSA-N 446.591 5.755 30 10 IKEE Cc1cc(OC(=O)C(c2ccccc2)c2ccccc2)cc2c1C(=O)/C(=C/c1cccnc1)O2 1871371927 PQRXARZDBDTBNB-XYGWBWBKSA-N 447.490 5.744 30 10 IKEE Cc1cc(OC(=O)CC2CCCCC2)cc2c1C(=O)/C(=C/c1c(F)cccc1Cl)O2 1871380281 GBDRLLABIZHCKK-BKUYFWCQSA-N 428.887 6.280 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(O[C@@H](C)C(=O)Nc3ccccc3Cl)c2C)C1=O 1871403794 ABSJEMIIUAQISG-PGECNJAHSA-N 447.918 5.979 30 10 IKEE Cc1cc(OCCC(=O)OCCC(C)C)cc2c1C(=O)/C(=C/c1ccccc1Cl)O2 1871428911 AIRSFVDEQHYUMU-BKUYFWCQSA-N 428.912 5.623 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 1871433040 JZKRFDHBPILJMM-FYYJVHHASA-N 426.484 5.723 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(F)c(Cl)c2)cc2c1C(=O)/C(=C/c1ccco1)O2 1871441429 MWQVXZOFNSOLGM-OCKHKDLRSA-N 427.815 5.014 30 10 IKEE Cc1c(OCC(=O)Nc2cccc(Cl)c2)ccc2c1O/C(=C\c1ccccc1F)C2=O 1871454839 WAYDFRDAJBOMKS-NHDPSOOVSA-N 437.854 5.421 30 10 IKEE COc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2sccc2C)C3=O)cc1 1871457174 SITUILJAIYFBTF-NDENLUEZSA-N 435.501 5.007 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccc(C)c(C)c4)c3C)C2=O)c1 1871458909 FRAOMVBUGBUTKZ-OYKKKHCWSA-N 443.499 5.254 30 10 IKEE CCCCc1ccc(N2C[C@@H](C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)CC2=O)cc1 1872768071 IUZPDZBFONGLKM-UNMCSNQZSA-N 443.572 5.382 30 10 IKEE N#C[C@@H](C(=O)/C=C\c1ccc2c(c1)OCCO2)c1nc(-c2cccc3ccccc23)cs1 1872775511 SCCXOEREQXZDNR-FLJMFPIGSA-N 438.508 5.624 30 10 IKEE CCCCCCCCNC1=C(c2cccc3ccccc23)C(=O)N([C@@H]2CCCC[C@H]2C)C1=O 1873025639 OGTMZRYGXRBEHW-PXDATVDWSA-N 446.635 6.449 30 10 IKEE CCCCOc1ccccc1/C=N/Nc1oc(-c2ccc(Br)o2)nc1C#N 1873461993 ISNQIGSRXPMRJY-WSDLNYQXSA-N 429.274 5.194 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(Cl)c2C)cc2c(NCCCCCC)ncnc21 1873639187 VZGQDVCBBPGSPV-UHFFFAOYSA-N 425.964 5.824 30 10 IKEE CCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1/N=C/c1ccc(C)cc1 1874194324 JNFKTSAKIUCCTM-MFKUBSTISA-N 438.597 5.466 30 10 IKEE CSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1c[nH]c2ccccc12 1874201801 UUULUTBIGTWJQR-VULFUBBASA-N 433.581 5.548 30 10 IKEE CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1ccccc1F 1874202669 OFPSHIZAPBKRHH-AFUMVMLFSA-N 426.561 5.596 30 10 IKEE CCCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1cccc(O)c1 1874203317 WABGTQJNRKOLGR-MFKUBSTISA-N 438.597 5.553 30 10 IKEE CCSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1c(F)cccc1Cl 1874252434 MDOYPHMAMFUFQI-ZVHZXABRSA-N 432.952 5.385 30 10 IKEE CSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc(Cl)c(Cl)c1 1874275852 JNPOTQMOICDKQJ-SSDVNMTOSA-N 425.772 5.628 30 10 IKEE CCCSc1nnc(CCc2ccccc2OC)n1/N=C/c1ccc(C(C)(C)C)cc1 1874313604 CLMQAXQLFHWLPW-NLRVBDNBSA-N 436.625 5.754 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3F)n2/N=C/c2ccc(O)cc2)c1 1874374867 RGYKGGQHNBYAKE-CVKSISIWSA-N 432.524 5.197 30 10 IKEE CSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1ccc(OCc2ccccc2C)cc1 1874377240 MFRLRRRBIGIMLX-JVWAILMASA-N 446.551 5.500 30 10 IKEE C(=N/n1c(COc2ccccc2)nnc1SCc1ccccc1)\c1c[nH]c2ccccc12 1874384331 KAIZNFVBALUCNL-JVWAILMASA-N 439.544 5.513 30 10 IKEE Cc1cccc(CSc2nnc([C@@H](C)c3ccccc3)n2/N=C/c2cccc(Cl)c2)c1 1874394068 FXBVSKQAIXCETB-FQNOVECQSA-N 447.007 6.566 30 10 IKEE Cn1cccc1/C=N/n1c(CCc2ccccc2)nnc1SCc1ccccc1Cl 1874403443 AKSAHXALCOGGCF-PCLIKHOPSA-N 435.984 5.230 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2-c2cccs2)cc1 1874422066 SKSJVQRYIJBZQO-BUVRLJJBSA-N 434.590 5.888 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccccc3)n2/N=C/c2ccc(O)c(O)c2)c1 1874428623 RXKOCEPEIRQQMG-AFUMVMLFSA-N 430.533 5.148 30 10 IKEE Cc1ccccc1CSc1nnc([C@H]2CCCO2)n1/N=C/c1cccc2ccccc12 1874443428 BMEJOAWDHIXBSO-VUEBRRCKSA-N 428.561 5.766 30 10 IKEE Fc1cccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CCCC2)c1 1874457330 LJTZSWOOWRWKQD-BRJLIKDPSA-N 449.382 6.556 30 10 IKEE COc1cc(/C=N/n2c(SC)nnc2C(C)(C)C)ccc1OCCCc1ccccc1 1874480549 BPIOSPUKTRWABB-KOEQRZSOSA-N 438.597 5.200 30 10 IKEE CC(C)Cc1nnc(SCc2ccccc2F)n1/N=C/c1ccccc1OC(C)C 1874489661 DKFQLOZNWIOLSO-AFUMVMLFSA-N 426.561 5.577 30 10 IKEE CCSc1nnc(C(C)C)n1/N=C/c1ccc(OCCCc2ccccc2)c(OC)c1 1874512703 LDKMGTOTMDSHJF-KOEQRZSOSA-N 438.597 5.416 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(C)nnc2SCc2cccc(F)c2)cc1OC 1874530796 BBIUGYWQMKKDFQ-MFKUBSTISA-N 442.560 5.478 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c1OCc1ccccc1Cl 1874572126 XESSDXREVYUNJC-FOCLMDBBSA-N 432.947 6.703 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Cl)ccc1OCC(=O)Nc1ccccc1C 1874576745 DPZBMIQPJYENBV-ACCUITESSA-N 435.907 5.571 30 10 IKEE Cc1ccc(C(=O)/C=C/c2c(OCc3cccc(Cl)c3)ccc3ccccc23)c(C)c1 1874578782 GQPUEERBGVFOFZ-BUHFOSPRSA-N 426.943 7.585 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1c(OCCCO)ccc2ccccc12 1874587133 WVAJCZFUDFQOIE-CMDGGOBGSA-N 431.315 5.813 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)c1OCc1ccccc1 1874592140 FOHUAJIKIBALKR-FYWRMAATSA-N 434.488 5.196 30 10 IKEE O=C(/C=C/c1cccc(OCc2nc(O)c3ccccc3n2)c1)c1cccc2ccccc12 1874597401 KAEMVWOLTYIONR-FOCLMDBBSA-N 432.479 5.964 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3c(F)cccc3Cl)c2)cc1F 1874597484 PKBJQBISGGAYRK-RMKNXTFCSA-N 444.861 6.111 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1OC 1874604506 QJINWMJERMKDNO-IZZDOVSWSA-N 438.907 5.841 30 10 IKEE Cc1cccc(COc2ccc(/C=C/C(=O)c3ccc(Br)cc3)cc2Cl)c1 1874607905 MIOZPLRDFPQTCK-VZUCSPMQSA-N 441.752 6.886 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OCC(=O)Nc1ccccc1 1874619614 JXAKPWWWNPSYHF-ACCUITESSA-N 445.515 5.316 30 10 IKEE C=C(C)COc1c(Br)cc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc1OCC 1874623808 WGDNDLRQKIPXCQ-SOFGYWHQSA-N 449.316 5.847 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(OC)c1OCc1ccccc1F 1874623834 XUTSMLBZIGZHOB-CCEZHUSRSA-N 442.486 6.471 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)cc2)c1 1874628880 AITIWCYIZPLYSE-SDNWHVSQSA-N 427.544 6.142 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@H]3C[C@H]3c3ccccc3Cl)c2)cc1C 1874696047 GCNUFABAGJIPKC-XPHCTPJTSA-N 446.930 6.262 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3cc(C)c(Cl)c(C)c3)c2)c(C)c1 1874702456 RDMHCAWDQBZCOS-PKNBQFBNSA-N 448.946 6.454 30 10 IKEE Cc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(Cl)c(Cl)c3)c2)cc1C 1874703111 ZHAADACNXRPRPJ-YRNVUSSQSA-N 425.311 6.726 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1cccc(/C=C/C(=O)c2ccc3c(c2)OCO3)c1 1874707843 ZGEGYECTCJRYMW-ACCUITESSA-N 436.463 5.613 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1C 1875107545 VTTHLGAQOUAQPG-VZUCSPMQSA-N 441.310 6.426 30 10 IKEE CC(C)COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3Cl)cc2)cc1 1875112035 WFHMLBZVZAWRPC-CXUHLZMHSA-N 434.919 6.490 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)c(C)c3)c([N+](=O)[O-])c2)cc1 1875113936 GHWRTOGMYLFJSH-LFYBBSHMSA-N 431.444 5.336 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC(=O)Cc1ccccc1Cl 1875121788 HWZGZGGCTIMOBZ-PKNBQFBNSA-N 441.310 6.046 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)c1cccc(F)c1 1875123457 MUGKKXIESCWDEA-CMDGGOBGSA-N 445.273 6.256 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc([N+](=O)[O-])c1OC(=O)c1ccccc1OC 1875127187 RPXFHALNNRNJAE-BUHFOSPRSA-N 447.443 5.117 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Br)c(OC(=O)CC)c(OCC)c2)cc1 1875130304 FLVODYZDIMACJC-KPKJPENVSA-N 447.325 5.458 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3)c(Br)c2)c(C)c1 1875131770 NAWWGMJIXXVCHD-FMIVXFBMSA-N 449.344 6.110 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)cc2)cc1C 1875147111 PTYMGKYBTZASMC-YRNVUSSQSA-N 428.484 5.119 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 1875148791 NAOOJAUFMQXLIL-WOJGMQOQSA-N 428.528 6.498 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3ccncc3)c(OC)c2)cc1F 1875152208 JGBNRSXPIHMLTM-HWKANZROSA-N 441.842 5.007 30 10 IKEE O=C(Cc1ccc(Cl)cc1)Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1 1875191398 KEGGSERBLNMFIJ-LFYBBSHMSA-N 445.729 6.691 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C12CCC2 1880185270 PZIYRWIAJLTZEV-VWLOTQADSA-N 441.572 5.250 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1ccc2c(c1)CCN2C(=O)OC(C)(C)C 1922053616 DGDBCQXLSLXMLA-VWLOTQADSA-N 436.596 5.798 30 10 IKEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1931194546 QOLNLHUHNDOJDH-NHCUHLMSSA-N 445.604 5.503 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 1944693965 DILLWRVIPZGCGG-AZUAARDMSA-N 429.561 5.276 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2000550139 YIDNIDXABIBCEO-MIVVTYSHSA-N 427.545 5.014 30 10 IKEE CCCN[C@@]1(C#N)CCC[C@@H]1CCN(CCN(C)Cc1ccccc1)Cc1ccccc1 2034739403 LCOLPSDZWHSZCY-VSGBNLITSA-N 432.656 5.073 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)CCC1(C)C 2038519462 NAOLNAHBNWMFDZ-DEOSSOPVSA-N 447.551 5.639 30 10 IKEE CC(C)(C)OC(=O)NC1(CC(=O)C2=CCC(F)(F)CC2)CCN(Cc2ccccc2)CC1 2045231211 VDALXBVLQDZAPJ-UHFFFAOYSA-N 448.554 5.251 30 10 IKEE CC[C@H](c1ccc(C(F)(F)F)cc1)n1nc(C(C)C)c(C#N)c1I 2079853828 GUCCTXKGUJLBPY-CQSZACIVSA-N 447.242 5.501 30 10 IKEE CC[C@@H](c1ccc(C(C)C)cc1)n1nc(C2CCC2)c(C#N)c1I 2079945479 ICSZMLWUZIHRFF-SFHVURJKSA-N 433.337 5.750 30 10 IKEE CCCOc1ccc([C@H](n2nc(C3CCC3)c(C=NO)c2Br)C2(C)CC2)cc1 2080063917 LKOPDGUEUFCXLH-FQEVSTJZSA-N 446.389 5.900 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)C2(C#N)[C@H]3CC[C@H]2CN(Cc2ccccc2)C3)c1 2099267020 UTMKDXBFWVKBAO-VXKWHMMOSA-N 447.579 5.241 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](CNc2cc(Br)ccc2C#N)(C(C)(C)C)C1 2162292127 VCWDSYCKASPIIM-OAQYLSRUSA-N 436.394 5.406 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(CCC[C@H]2Nc2cc(Br)cc(F)c2C#N)C1 2163689450 GFNDIVOJDLVPAY-XLIONFOSSA-N 438.341 5.051 30 10 IKEE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)C(=O)C=Cc1ccccc1 2237433713 NSDKBZFMZNDEOE-LJQANCHMSA-N 430.342 5.167 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@@H](C#N)c1sc(Cl)cc1Br 2250682755 WCCYFCIHCZFDLE-JTQLQIEISA-N 434.747 5.666 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)c1ccc(Br)cc1Cl 2275134393 JINXAFJNGXAQLV-HXUWFJFHSA-N 439.733 5.408 30 10 IKEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Br)cc(C(C)(C)C)c1 2288658175 YUPNWLLXJZEEIX-MOPGFXCFSA-N 437.422 5.314 30 10 IKEE CC(C)Oc1ccc2ccccc2c1C=C1SC(=O)N(Cc2ccccc2C#N)C1=O 2293816437 ZCMMOHVFOJDQGY-UHFFFAOYSA-N 428.513 5.735 30 10 IKEE CN[C@H](C#Cc1cccc(Br)c1)c1cc(C)ccc1NC(=O)OC(C)(C)C 2296266842 MPDZYPQRXIGUSA-LJQANCHMSA-N 429.358 5.417 30 10 IKEE CCCCN(CCCC)Cc1c(O)ccc2c1OC(=Cc1ccc(Cl)cc1Cl)C2=O 2296602873 BVRMDAIBQYJEHH-UHFFFAOYSA-N 448.390 6.717 30 10 IKEE CC(=C1SC(=Nc2cccc(C(=O)O)c2)N(c2ccccc2)C1=O)c1ccc(C)c(C)c1 2314549013 ZNEJYVVOQKQHDP-UHFFFAOYSA-N 442.540 6.200 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(Cl)cc1Cl 2318571427 KJYMSPSQTLATNJ-UHFFFAOYSA-N 439.799 6.365 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1N=Cc1cccnc1 2321371253 YLJDTOQVCXWNQP-UHFFFAOYSA-N 448.379 5.152 30 10 IKEE Cn1cc(CCN2COc3ccc4c(c3C2)OC(=Cc2ccccc2)C4=O)c2ccccc21 2321911742 OOPRBRUTECEMAE-UHFFFAOYSA-N 436.511 5.189 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc4c3CN([C@@H](C)c3ccc5c(c3)CCCC5)CO4)C2=O)o1 2322259199 TXSSFDHBAXRTBM-SFHVURJKSA-N 441.527 5.996 30 10 IKEE CCc1ccc([C@H](C)N2COc3cc(C)c4c(c3C2)OC(=Cc2cccs2)C4=O)cc1 2322260121 BNRQNZALMWKZLQ-KRWDZBQOSA-N 431.557 6.148 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(F)cc1)C3=O)CN(CCCCc1ccccc1)CO2 2322442913 HRJHAZHQTNPXAG-UHFFFAOYSA-N 443.518 5.925 30 10 IKEE CCCCOc1ccc(C=NNc2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)cc1 2322611746 CQZVMGTWKOBSTD-UHFFFAOYSA-N 431.323 5.164 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(Cl)cc2C=CC(=O)c2ccc(F)c(C)c2)c1 2322634833 UNWWYMRILDBOHW-UHFFFAOYSA-N 437.898 6.010 30 10 IKEE CCOc1cc(C=NNc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1Cl 2322953293 HDRFRPOWDZMAOG-UHFFFAOYSA-N 433.310 6.556 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OCC(=O)Nc2c(C)cccc2C)c1 2323332174 DBWFCGFBQRCWPR-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(Cl)c1OCc1ccccc1 2323423808 MIJIUJWJRNOKPD-UHFFFAOYSA-N 446.974 7.093 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3c(F)cccc3Cl)c([N+](=O)[O-])c2)cc1 2323631010 LWBOVHQMHYJXHD-UHFFFAOYSA-N 441.842 5.871 30 10 IKEE CCOc1cc(C=NNc2nc(-c3ccc(C)c(C)c3)cs2)cc([N+](=O)[O-])c1OCC 2323854248 ACJUPRCPOIQFKS-UHFFFAOYSA-N 440.525 5.579 30 10 IKEE CCCC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccco2)C3=O)c1 2323921475 BENRWWAPEWVLPF-UHFFFAOYSA-N 432.428 5.129 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OCC(=O)Nc3cccc(C)c3C)c(Cl)c2)c1 2323943795 LJENYZWIFWEPPG-UHFFFAOYSA-N 447.962 6.487 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OCc3cc(C)ccc3C)c([N+](=O)[O-])c2)cc1C 2324637611 UAVULRZGUYYAKO-UHFFFAOYSA-N 445.515 6.312 30 10 IKEE Cc1cccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4c(C)cccc4C)ccc3C2=O)c1 2325141849 APXJDYIQVDEMFD-LJQANCHMSA-N 427.500 5.634 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccc(C(C)C)cc4)c3C)C2=O)c1 2325318860 WWOCFYFUQNEKOO-UHFFFAOYSA-N 441.527 6.061 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(F)c(F)c2)ccc2c1OC(=Cc1ccccc1F)C2=O 2325522847 GBJTUUVKIFWIQC-UHFFFAOYSA-N 439.389 5.046 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1cccc(C)c1 2325535440 WHEMARZUOPSMJX-UHFFFAOYSA-N 433.408 6.410 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(C(C)C)cc1 2325610408 DUPYNLRKOUNLSX-UHFFFAOYSA-N 433.408 6.445 30 10 IKEE O=C(Oc1cccc(C=CC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(Cl)cc1 2325709267 SXXUVCXYQXLDQB-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE COc1ccc(C(=O)Oc2cccc(C=CC(=O)c3cc(C)ccc3C)c2)cc1[N+](=O)[O-] 2325740997 UBHWTOHBKVRDSY-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1OC(=O)c1cccc(C)c1 2325757208 ALFKEAUYVZQVKC-UHFFFAOYSA-N 430.500 5.744 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1OC(=O)c1ccncc1 2325772528 ONQWSXXMUYUNAD-UHFFFAOYSA-N 428.271 5.512 30 10 IKEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1c(O)ccc2ccccc12 2326489461 HQGHVMHJVMZMPN-UHFFFAOYSA-N 443.359 5.927 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccc(C)cc3)n2N=Cc2ccc(C)cc2)cc1 2329242447 FQTWSNGOUVBXAI-UHFFFAOYSA-N 442.588 5.669 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2N=Cc2cccc(C)c2)cc1 2330551673 GDCSLBOTXNTBOL-UHFFFAOYSA-N 447.589 5.236 30 10 IKEE Cc1cccc(C=Nn2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccccc2)c1 2330653850 UVULEEBPWJZBNA-UHFFFAOYSA-N 429.505 5.336 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccccc3)n2N=Cc2ccccc2[N+](=O)[O-])c1 2330672238 QGOOZJSVYXXACL-UHFFFAOYSA-N 443.532 5.645 30 10 IKEE C=CCSc1nnc(-c2ccccc2)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2330678584 TVLXQEKRXJSKNN-UHFFFAOYSA-N 440.528 5.325 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2)cc1 2330742271 RIZFVNGFWUQFIF-UHFFFAOYSA-N 440.495 5.511 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(N(C)C)cc3)c(Cl)c2)c1 2330781161 RYPJZURTMVLQJB-UHFFFAOYSA-N 435.907 5.530 30 10 IKEE O=C(Cc1ccccc1Cl)Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1Cl 2330913277 DJEASGBWLZCUCE-UHFFFAOYSA-N 445.729 6.691 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OC(=O)COc1ccccc1 2331131550 KYMOWLCUWTUOKJ-UHFFFAOYSA-N 436.891 5.619 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H]3CCCO3)c(Br)c2)c(C)c1 2331224847 TWOIZBOCEGXQMP-NRFANRHFSA-N 429.310 5.046 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1 2331238737 RJSSTZULUNVONC-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE COCCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(Cl)c(Cl)c1 2331259384 WTAMOOXMKNAONY-UHFFFAOYSA-N 439.343 5.087 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3cccc(C)c3)c(Cl)c2)cc1 2331266065 VMHYCTXKLZJMBI-UHFFFAOYSA-N 448.946 6.618 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3)cc2OC)cc1 2331292984 FIIFNDMDJSNPKW-UHFFFAOYSA-N 444.527 5.837 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(C(C)(C)C)cc2)cc1 2331352457 YDTFGSYDULJXSW-UHFFFAOYSA-N 428.528 6.416 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(Cl)cc3)cc2)c1 2331377462 BHKIFRONFNMZHU-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc3ccccc23)cc(Cl)c1OC(=O)C1CCC1 2331474427 GUZWRKLLZFFWHI-UHFFFAOYSA-N 434.919 6.494 30 10 IKEE CCOc1c(C=Nn2c(SCc3cccc(C)c3)nnc2C2CCC2)cccc1OC 2331498050 BVVFWQJNVNXSCZ-UHFFFAOYSA-N 436.581 5.436 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(C)c3C)cc2)cc1 2331612162 LGLKUQVUGVWGPG-UHFFFAOYSA-N 430.500 5.826 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)C(=Cc2ccccc2)c2ccccc2)n(C(C)(C)C)n1 2331668601 CSFSJOMLFTXOJX-UHFFFAOYSA-N 441.579 5.391 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2ccc(OC(=O)CC3CCCCC3)cc2)cc1Cl 2331696029 DNKJXEREGXPQES-UHFFFAOYSA-N 442.939 6.129 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc4nc(C)c(C)nc4c3)cc2)cc1C 2331704683 UPSPMQSRAJCWOM-UHFFFAOYSA-N 436.511 5.979 30 10 IKEE C[C@@H](CC(C)(C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339597853 VAZGGDVZWZYZFE-KRWDZBQOSA-N 446.397 5.187 30 10 IKEE COc1ccc(-c2nc3cc(/N=C/c4cccc(Cl)c4)ccc3o2)cc1Br 1883673 ZGLVOIDCNPTHIT-WYMPLXKRSA-N 441.712 6.670 30 10 IKEE Oc1c(Cl)cc(Br)cc1/C=N/c1ccc(I)cc1 3115099 KYNKJWCMAHTUDW-REZTVBANSA-N 436.474 5.163 30 10 IKEE Clc1ccc(/C=N/Nc2cc(N3CCCCCC3)nc(N3CCCCCC3)n2)cc1 4738244 MEENJTHHQSMUCL-XIEYBQDHSA-N 426.996 5.337 30 10 IKEE N/C(=N/OC(=O)c1cc(-c2ccc(Cl)cc2)oc1C(F)(F)F)c1ccc(Cl)cc1 12369156 JDTKQDUEAOPONH-UHFFFAOYSA-N 443.208 5.750 30 10 IKEE Clc1ccc(C2=NN(c3ccc(/C=N/c4ccccc4)cc3)[C@@H](c3ccccc3)C2)cc1 27474039 DFEQTOYKKZYOKV-AWUWXFTQSA-N 435.958 7.446 30 10 IKEE N#CCCSc1sc(=S)sc1SCc1c(F)c(F)c(F)c(F)c1F 27552236 AYWVJAHBIKPEDF-UHFFFAOYSA-N 431.523 6.533 30 10 IKEE C/C(=C/CC/C=C(/C)CC/C=C(/C)CC[C@H]1OC1(C)C)CC/C=C(/C)CCC[N+](C)(C)[O-] 33954375 CHOZGZSGIDAVLS-ZKGSIVHPSA-N 445.732 8.424 30 10 IKEE C=CCOc1cccc2c1cc(C(=O)NCc1ccccc1)n2Cc1cc(F)ccc1F 35927875 AYPRRJAWQWCFHZ-UHFFFAOYSA-N 432.470 5.463 30 10 IKEE C=C(Br)Cn1c([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)nc2ccccc21 38585901 DFMPPJGTKQBWFU-AWEZNQCLSA-N 430.733 5.119 30 10 IKEE C=CCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2[C@H]1c1ccc(OCCC)c(OCC)c1 38593873 YOPOWIWUENANGP-XMMPIXPASA-N 447.531 5.329 30 10 IKEE C=CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCCC)cc1OCC 38609108 XTRVQHOUACYFQA-DEOSSOPVSA-N 447.531 5.492 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCc4c(F)c(F)c(F)c(F)c4F)ccc3C2=O)cc1 39754216 SVUYTFLVEXQSMQ-IUXPMGMMSA-N 432.344 5.886 30 10 IKEE CCCCc1ccc(C[C@@H]2S/C(=N/N=C/c3ccc(-c4ccccc4)o3)NC2=O)cc1 39888300 HNECBFREUVWPCN-OINMWHHXSA-N 431.561 5.453 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)cc(C)c3C2=O)cc1 41288594 KQQSVHOKCJGMON-IWIPYMOSSA-N 442.511 6.137 30 10 IKEE Cc1ccc(/C(CSc2nc3ccccc3s2)=N\Nc2cccc([N+](=O)[O-])c2)c(C)c1 59460568 INKBSZSWCACSAK-QLYXXIJNSA-N 448.573 6.430 30 10 IKEE O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C/c1ccc(-c2ccc(F)cc2)o1 59566974 PJDDKCPEYFHWLP-LICLKQGHSA-N 433.291 6.284 30 10 IKEE COc1ccc(/C=C2\S/C(=N\c3ccc(Br)cc3C)NC2=O)cc1Cl 96475749 JGMVFJLFZKPFLZ-SXGWCWSVSA-N 437.746 5.311 30 10 IKEE Cc1cccc(-c2nc3sc4c(c3c(=O)n2Cc2cccc(C#N)c2)CC[C@H](C)C4)c1 96531464 SCGZOMZPYYYVEE-KRWDZBQOSA-N 425.557 5.478 30 10 IKEE CN1C(=O)C[C@H](C(=O)Nc2cccc(Cl)c2)S/C1=N\c1ccc(Cl)c(Cl)c1 100262774 NSCZDITUVZHZPQ-VKWHMPGMSA-N 442.755 5.237 30 10 IKEE COc1ccc(OC)c(/C=N/c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)c1 100324785 OARZFRWXYAJZJE-JVWAILMASA-N 434.561 5.325 30 10 IKEE C=CCN1C(=O)[C@@H](CC(=O)Nc2c(C)cc(C)cc2C)S/C1=N/c1cc(C)ccc1C 105003869 NWBGBTNMXMVFRS-JMSHBIQUSA-N 435.593 5.375 30 10 IKEE CCC(C)(C)[C@@H]1CCc2nc(SCC(=O)N3CCc4ccccc4C3)c(C#N)cc2C1 145607213 VGWZLSAFMVKGER-JOCHJYFZSA-N 433.621 5.171 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(OC)cc2)cc1 169921996 QANWXIDEDIPTRA-HSZRJFAPSA-N 431.463 5.180 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2ccc(C)cc2C)cc1 169925777 LECNUIDCEVDEGW-XMMPIXPASA-N 443.499 5.104 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1ccc(C)c(C)c1 169943238 IWCSGXBMZXDAOF-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(O)c(OCC)c1 169974464 CEZUPKSCJFTVTP-JOCHJYFZSA-N 441.499 5.007 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2cccs2)cc1C 169982127 GYLQVKTVWNGNLH-JOCHJYFZSA-N 432.545 5.214 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)C)cc2)[C@H]1c1cccs1 169983047 OOGALOOXOHGVMV-QHCPKHFHSA-N 447.556 5.971 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2cccs2)cc1 169984914 VACZGJHCDGOXQC-JOCHJYFZSA-N 449.528 5.247 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccccc2)c1 170054781 FYWKJDMZRYOOKJ-XMMPIXPASA-N 427.500 5.091 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(Cl)cc2)c1 170059670 IGKDKWJOSYJIBX-JOCHJYFZSA-N 439.939 5.650 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@@H]2c2ccco2)cc1 170090903 JUYDHPWVASIQIP-JOCHJYFZSA-N 431.488 5.369 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2cc(C(C)(C)C)ccc2C)=C(O)C(=O)N1C1CCCC1 170126127 FVSDNLHEZUWZCI-XMMPIXPASA-N 447.575 5.822 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1ccc(O)cc1 170131948 JIZYJHBMEQMVPH-HSZRJFAPSA-N 443.499 5.109 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2cccs2)cc1 170157354 SFEVBOKKFJGPIQ-NRFANRHFSA-N 435.501 5.025 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC(C)C)cc3)[C@@H]2c2ccccn2)cc1 170174366 SKMFUQKDGLGVOQ-DEOSSOPVSA-N 442.515 5.208 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccncc2)cc1 170200440 GYFIXESYSIODTH-DEOSSOPVSA-N 442.515 5.270 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccccc2)c1 170225548 ACUGVVWHMQTUCY-RUZDIDTESA-N 441.527 5.874 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1ccc(C(C)C)cc1 170245757 JEXAHSKYGJUTAE-XMMPIXPASA-N 435.564 5.896 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@@H]1c1ccc(C(C)C)cc1 170246041 QHOYXGINDUHKAZ-QHCPKHFHSA-N 439.527 5.726 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccccc1F 170249822 ODMYDTGGQOJQFH-VOIUYBSRSA-N 443.474 5.240 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1C1CCCC1 170319551 CLSIFKJBNSHTRL-HXUWFJFHSA-N 425.550 5.365 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cccc3ccccc23)ccc1O 170464732 UZTCCJZSAJBGEZ-HSZRJFAPSA-N 445.515 5.459 30 10 IKEE CCOc1cc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(Cl)cc2C)ccc1O 170465085 XOAKWZBTTNPQFQ-FQEVSTJZSA-N 443.927 5.268 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1Cl 170470007 CIHVWQAUQAPHLP-JOCHJYFZSA-N 449.934 6.322 30 10 IKEE COc1ccc(/C=C2/SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)c(OC)c1 252627482 RVGPTYYAVVIMHX-APZKEAJMSA-N 444.556 6.129 30 10 IKEE O=c1c2ccccc2nc(COc2cccc3ccccc23)n1N=Cc1cc2ccccc2[nH]1 254593049 OKHMETFZFZZGFI-UHFFFAOYSA-N 444.494 5.492 30 10 IKEE N#CC[C@H](Nc1ccc(I)c(Br)c1)c1ccccc1 388364300 JAFGBPHWQONJCN-HNNXBMFYSA-N 427.083 5.121 30 10 IKEE Cc1ccc(SC2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(F)cc3F)C2=O)cc1 526663048 OUVPMNFZGLAOGE-UHFFFAOYSA-N 447.466 5.134 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1c(O)ccc2ccccc12 526809520 MYYPMGMUJMPNOV-YUMHPJSZSA-N 444.604 6.271 30 10 IKEE C=CCNC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 586634219 SGHPIEYXTMRSHN-UHFFFAOYSA-N 447.347 5.677 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@](C#N)(N(C(=O)OC(C)(C)C)C3CCCCC3)C[C@H]2C1 698355808 WJOFOYGWZKIQLL-MHPIHPPYSA-N 447.620 5.486 30 10 IKEE CC(C)(C)OC(=O)N(C1CCC1)[C@@H](C#N)c1cc(Br)cc(Br)c1 712367071 RPXMNGJCJZJECO-HNNXBMFYSA-N 444.167 5.566 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@@]1(C#N)CCCN(C(=O)OCc2ccccc2)C1 720801062 PWELOQMSQGXEPL-RUZDIDTESA-N 435.524 5.123 30 10 IKEE CCCOc1ccc(C=Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1OCC 725438145 RWXDWZCEDVZVDW-UHFFFAOYSA-N 430.573 7.210 30 10 IKEE N#Cc1ccc(/C(O)=C(/C(=S)Nc2ccc3c(c2)CCC3)[n+]2cccc(O)c2Cl)cc1 762440240 LQMIPBWTCNICOC-UHFFFAOYSA-O 448.955 5.017 30 10 IKEE CSc1ccc(/C(=N/OCc2cc(=O)c(OCc3ccccc3)cn2C)C2CC2)cc1 821234578 XCHNLLWJPNCDTN-OCEACIFDSA-N 434.561 5.017 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)CSc2n[nH]c(NN=C(C)c3ccc(F)cc3)n2)cc1 1083980105 APMCCRQVBMBDOZ-AWEZNQCLSA-N 440.548 5.024 30 10 IKEE O=C1/C(=C\c2ccccc2F)S/C(=N/N=C/c2ccc(Cl)cc2)N1Cc1ccco1 1615301467 SAZNLMJUCAEFNY-RZBRCAFVSA-N 439.899 5.579 30 10 IKEE Cc1cc2c(n1-c1ccc(Cl)cc1)CC(C)(C)CC2=NOC(=O)c1ccc(Cl)cc1 1772728252 ARBWNBJHZAXUKD-UHFFFAOYSA-N 441.358 6.626 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(OCc3ccc(C)cc3)cc2)SC1=Nc1ccccn1 1772731360 LEMCLSHLNJYVLM-ULHXHRCFSA-N 441.556 5.759 30 10 IKEE Cc1ccc(COc2ccc(/C=C3\SC(=Nc4ccncc4Cl)N(C)C3=O)cc2)cc1 1772732849 HENBIWFVXFRINQ-WOZVDNMVSA-N 449.963 5.856 30 10 IKEE CC(/C=C1\SC(=NN=Cc2ccccc2O)N(Cc2ccco2)C1=O)=C\c1ccccc1 1772756824 DQGIMOIJYALVHJ-BCUWXCOBSA-N 443.528 5.438 30 10 IKEE CCCCCCn1c2ccccc2c2nnc(NN=Cc3ccc(OCCC)cc3)nc21 1772764911 IYYIKCCSGQSPOA-UHFFFAOYSA-N 430.556 5.795 30 10 IKEE Cc1ccc(-n2cc(/C=N\NC(=S)Nc3cc(C)cc(C)c3)c(-c3cccs3)n2)cc1 1857811800 DYGNPXFUMYUXHM-QFEZKATASA-N 445.617 5.847 30 10 IKEE N#Cc1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc([N+](=O)[O-])cc2)n1 1859387327 GBVRFQAUNIFDOZ-UHFFFAOYSA-N 443.850 5.225 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCCCC2)cc1 1862488629 FBBDVSXYHRYNQG-XMMPIXPASA-N 433.548 5.613 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)cc1 1862489200 RLEXEXFROHUXGK-BFMBIBTESA-N 431.576 6.023 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccccc1F 1862489599 DDCHCQDESSRYID-QHCPKHFHSA-N 439.527 5.228 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(F)cc2F)c1 1862491247 OGQFUXYRSJNMEB-QHCPKHFHSA-N 433.454 5.360 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc(C(C)C)cc2)c1 1862493483 QMPRVPUVPIIBIC-KHMOSXFSSA-N 445.603 6.584 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2cccc(F)c2)ccc1F 1862502282 VYUQYRNPXPHGGP-DEOSSOPVSA-N 447.481 5.484 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2ccccc2Cl)cc1 1862516466 OTUSCJHMKDUVPR-BTYIYWSLSA-N 427.928 5.506 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1cccc(C)c1 1862523549 JZGPNANUASZKBM-LJQANCHMSA-N 428.326 5.136 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2ccc(Cl)cc2)cc1 1862536378 XABSJYXBPJDYIW-DEOSSOPVSA-N 445.946 5.989 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(N(C)C)cc1 1862559683 UOHXWGXOTKLKPD-XMMPIXPASA-N 449.595 5.274 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1ccc(Cl)c(Cl)c1 1862643766 VJYYXFBPFHCGNM-GOSISDBHSA-N 438.282 5.129 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2cccc(O)c2)cc1 1862664003 ZWXDAHYHEBHYCY-CUHUQNRHSA-N 433.548 5.673 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2cccc(OC)c2)cc1 1862687260 IRZGUAMILFHDER-QHCPKHFHSA-N 435.520 5.005 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2C2CCCC2)c1 1862695092 AEJNAUMIQJIYMB-HSZRJFAPSA-N 435.520 5.005 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CCc2cccs2)cc1 1862703846 ZCKAEOMORKYHSO-HSZRJFAPSA-N 447.556 5.140 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(OC(C)C)c(OC)c1 1862718513 BTMMEQOYBHMUQT-XMMPIXPASA-N 445.515 5.234 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862729329 WMKWAXKHVALNDH-VWLOTQADSA-N 439.555 6.249 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccc2ccccc12 1862756211 JVPONUFHRDRJTD-IVZQSRNASA-N 430.460 5.125 30 10 IKEE CCOc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(C3CCCCCCC3)C2=O)cc1 1863211400 OZLXBCNJQUWKBL-UHFFFAOYSA-N 443.547 5.262 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1cccc(Cl)c1Cl 1866030094 YQIDJFFQEOMVGS-UHFFFAOYSA-N 428.488 9.193 30 10 IKEE Cc1ccccc1-c1nc(Nc2ccccc2C#N)cc(N2CCO[C@@H](c3ccccc3)C2)n1 1868306195 BAPHVALZRBPOHQ-RUZDIDTESA-N 447.542 5.645 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N(CC)CCCC)nn1-c1cccc(Cl)c1 1869986551 ZLGVKIZIRJCCTC-UHFFFAOYSA-N 434.028 6.236 30 10 IKEE C=CCn1cc(OCCCc2ccccc2)c(=O)cc1CSc1ccc(Cl)cc1 1870189980 POOSBKSYKDGEJG-UHFFFAOYSA-N 425.981 5.992 30 10 IKEE C#CCOc1cn(CCCCCC)c(CSc2nc3ccccc3n2CCC)cc1=O 1870302223 IMDOARMIAQWTJR-UHFFFAOYSA-N 437.609 5.493 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)c(Cl)c2)c(=O)cc1CN(CCC)CCCC 1870404318 GYHRIWOTSWUFON-UHFFFAOYSA-N 437.411 5.932 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2)c(CNc2cccc(C)c2C)cc1=O 1870833376 GNGIFGABEWUUAG-UHFFFAOYSA-N 432.608 6.475 30 10 IKEE C#CCOc1cn(CCCCc2ccccc2)c(CNc2ccc(Cl)cc2C)cc1=O 1871006944 CRLOCWMCYKZMOX-UHFFFAOYSA-N 434.967 5.457 30 10 IKEE C=CCn1cc(OCc2ccc(C)cc2)c(=O)cc1CNc1cc(C(C)C)cc(C(C)C)c1 1871205353 KEYVHQHNWRWGAF-UHFFFAOYSA-N 444.619 6.781 30 10 IKEE CCCCCCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc([N+](=O)[O-])cc1)C3=O 1871348384 CAOXTSWFIOPAFJ-HAHDFKILSA-N 436.508 5.723 30 10 IKEE CCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871379676 JLCSBLPVOVEFBG-NFOYZZEQSA-N 430.431 5.459 30 10 IKEE Cc1cc(O[C@H](C)C(=O)OC(C)C)cc2c1C(=O)/C(=C/c1c(Cl)cccc1Cl)O2 1871401196 WEBQJGFABGGJJX-XTBHVRTMSA-N 435.303 5.637 30 10 IKEE CCCC[C@@H](Oc1cc(C)c2c(c1)O/C(=C\c1ccc(N(CC)CC)cc1)C2=O)C(=O)O 1871422718 AGXICLRTXRWBHI-FYYJVHHASA-N 437.536 5.480 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(F)c(Cl)c4)ccc3C2=O)c1 1871441443 NGHKBLVMUJZGHF-YVNNLAQVSA-N 437.854 5.421 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccccc2)C3=O)cc1 1871450470 GVQGGRVSYOFGNJ-SDPDQUOZSA-N 427.500 5.834 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[C@@H](C)CC)S(=O)(=O)CCCC 1871825790 MADKVXMKNINDAW-QFBILLFUSA-N 448.551 5.067 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C(C)C)cc1)C(C)C)S(=O)(=O)c1cccs1 1871828880 DCJCJCBEWFXZAG-OAQYLSRUSA-N 434.627 5.102 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)c(C)c1 1871892257 ZTVPYOHUNWZMIK-XMMPIXPASA-N 442.625 5.294 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)[C@@H](C)CC)S(=O)(=O)CC 1872340398 XXQLWGQIYYDFQY-WMZHIEFXSA-N 436.662 5.514 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccc(Cl)cc3)n2)cc1F 1872775576 UREBFODUOBBRKP-QGZVFWFLSA-N 444.915 5.647 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@@H](C#N)C(=O)CCCOc3c(C)cccc3C)n2)c1C 1872780288 DZUSXQJIDGTBMM-QFIPXVFZSA-N 446.616 6.696 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@@H](C#N)C(=O)COc2ccc(C)cc2C)n1 1872784906 ZWMCEMWOUHJFJZ-KRWDZBQOSA-N 440.952 5.653 30 10 IKEE CCCCCCCCC(=O)Nc1nnc(SCc2ccc(Cl)cc2Cl)s1 1873441051 JMBMGIHSGBTZEA-UHFFFAOYSA-N 432.442 6.826 30 10 IKEE COc1ccc(-n2ncc(N/N=C/c3cccc(Oc4ccccc4)c3)c(Cl)c2=O)cc1 1873525703 RNLWFAYHQBNWDO-CVKSISIWSA-N 446.894 5.133 30 10 IKEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3ccc(C)c(Cl)c3)c(=O)oc2c1 1873903500 WDTJUYPFCZPESH-UHFFFAOYSA-N 425.912 5.589 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1c2ccccc2C(=O)N(C(C)C)[C@@H]1c1ccccc1 1873935421 PSSFNDCPHGZSHW-RRPNLBNLSA-N 448.651 6.633 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1 1873936725 PFCRERPDOCYVGJ-KRWDZBQOSA-N 428.495 5.195 30 10 IKEE C=CCSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1cc(C)ccc1O 1874206645 MOOKSZOZKQIVAQ-FOKLQQMPSA-N 449.363 5.338 30 10 IKEE C=CCSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1cccc2ccccc12 1874261018 DUQGDTQUDAQYIT-VULFUBBASA-N 436.487 5.449 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2OC)n1/N=C/c1ccc(Cl)cc1 1874289120 ZFXUSTBLBMFWOC-FSJBWODESA-N 428.945 5.070 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(COc2ccc(C)cc2C)nnc1SCC(=C)C 1874327757 ZGZJVOHOXXBODF-CVKSISIWSA-N 448.592 5.589 30 10 IKEE Cc1ccccc1CCc1nnc(SCCCO)n1/N=C/c1ccc(Cl)c(Cl)c1 1874363517 JRYXQSVCZRAFOF-ZVHZXABRSA-N 449.407 5.035 30 10 IKEE Fc1ccc(/C=N/n2c(COc3ccccc3)nnc2SCCc2ccccc2)cc1 1874384591 YFKIMZPCPGXVQU-YZSQISJMSA-N 432.524 5.213 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2[C@@H](C)c2ccccc2)cc1 1874399009 HQCMIZPVWFJGPU-FQNOVECQSA-N 447.007 6.566 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCC)cc1OCC 1874407063 CSAZKUAMPJBNIN-XIEYBQDHSA-N 444.645 5.973 30 10 IKEE COc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2cccc(C)c2)cc1O 1874415640 AGQOCHNUQCNGEJ-WGOQTCKBSA-N 444.560 5.066 30 10 IKEE Cc1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2ccccc2[N+](=O)[O-])cc1 1874420299 GKFGPZOOGCMLBM-LPYMAVHISA-N 435.534 5.398 30 10 IKEE C=CCSc1nnc([C@@H]2CCCO2)n1/N=C/c1ccc(OCc2ccc(C)cc2)cc1 1874448847 NCHASNXBVJCHIM-LWROZRRASA-N 434.565 5.177 30 10 IKEE Oc1ccccc1/C=N/n1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccco1 1874467809 CUBBBYRDBHQYQY-FOKLQQMPSA-N 445.331 5.725 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)C)n2/N=C/c2cn(C)c3ccccc23)c1 1874489785 KNIBZXINXIYSCN-VULFUBBASA-N 431.609 5.760 30 10 IKEE CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1c(Cl)cccc1Cl 1874524745 DDPNZKWCBXIUCF-UFFVCSGVSA-N 436.324 5.230 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)N[C@H](C)c2ccccc2)cc1 1874579179 AQGPEJFAKRRYAQ-XYDKVEKUSA-N 433.935 5.801 30 10 IKEE Cc1ccc(COc2ccc(Br)cc2/C=C/C(=O)c2ccc(F)c(C)c2)cc1 1874580559 UCVQJWXGFNGPMK-DHZHZOJOSA-N 439.324 6.680 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2cccc3ccccc23)c1OCCc1ccccc1 1874583555 SYQYZGZMYRGTDG-CCEZHUSRSA-N 442.942 7.019 30 10 IKEE CCCOC(=O)COc1c(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cccc1OC 1874586404 LZYJVAHXWJQVIV-SAPNQHFASA-N 446.499 5.716 30 10 IKEE CCc1ccc(NC(=O)COc2cc(/C=C/C(=O)c3ccc(Cl)cc3)ccc2OC)cc1 1874595657 XOAZZGZMWYPZHN-MKMNVTDBSA-N 449.934 5.825 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OCC(=O)Nc1cccc(C)c1 1874612713 IQWAVDDTALCHQL-UXBLZVDNSA-N 437.442 5.195 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1OCCc1ccccc1 1874616444 ACDUEEXGEJXNEQ-SDNWHVSQSA-N 431.488 5.820 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1cc(C)ccc1C 1874622794 VUVNYOVXSCZOKX-MHWRWJLKSA-N 442.599 7.475 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1Cl)NCc1ccccc1 1874626242 SOWNNJOWHUPBQK-UXBLZVDNSA-N 441.861 5.210 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)cc2OC)cc(OC)c1OCc1ccccc1 1874632322 BVBFTYGGLBQZGC-NTCAYCPXSA-N 444.527 5.916 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OC(=O)COc2cccc(C)c2C)c1 1874704485 RANUXSVRSZCIBP-OUKQBFOZSA-N 430.500 5.501 30 10 IKEE C=CCN(CC=C)CCC(=O)c1ccc(OC(=O)C(c2ccccc2)c2ccccc2)cc1 1874741907 PLJQNSITQIEZQR-UHFFFAOYSA-N 439.555 5.671 30 10 IKEE CCCCCCCCC(=O)N1[C@H](C(C)(C)C)CSc2nnc(Cc3ccc(C)cc3)n21 1874973881 FBDFZCRRMWGIFW-NRFANRHFSA-N 442.673 5.913 30 10 IKEE O=C(COc1ccc(Cl)cc1)Oc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1 1875084996 KIXFZEGYMXLLAJ-AWNIVKPZSA-N 437.835 5.129 30 10 IKEE C[C@@H](C(=O)Oc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-])c1ccccc1 1875088710 ZZWUKSBOQVUUIG-YBHKSSGVSA-N 446.415 5.108 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(CC)cc2)cc1 1875103872 UJANZBGLGUWRNT-QGOAFFKASA-N 430.500 5.528 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(N(C)C)cc1 1875122553 GGCDRHTZZYYDBJ-NTUHNPAUSA-N 435.907 5.530 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(C)cc3C(C)(C)C)cc2)cc1 1875132679 YKAJUUXTBHLYRH-LFIBNONCSA-N 442.555 6.481 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)COCc1ccccc1 1875140269 YLUGKUDGFADLQY-WYMLVPIESA-N 444.527 5.720 30 10 IKEE CCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1Br 1875148485 OVULDIOAUHOSRJ-NTUHNPAUSA-N 429.354 6.348 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1cccc(Cl)c1 1875157150 QFWVMHVKVGOKHJ-RIYZIHGNSA-N 448.946 6.977 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Br)c1OC(=O)C1CCC1 1875158565 BOJHNPBCTRZHED-BJMVGYQFSA-N 433.273 5.198 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(C)c3)c([N+](=O)[O-])c2)c(C)c1C 1875166617 ACUVWIVVUBTZNG-DHZHZOJOSA-N 445.471 5.644 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OC(=O)CC(C)(C)C 1875168698 QGKJEWUCCKQYDM-ZHACJKMWSA-N 438.564 6.175 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3cc(C)cc(C)c3OC)cc2)cc1 1875169552 NGAJFHMUGOXSEO-FOWTUZBSSA-N 442.555 6.309 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)CC1CCCCC1 1875170093 HUBHGPPUAPHLKL-ACCUITESSA-N 434.576 6.701 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)Cc1ccc(F)cc1 1875170309 QLBWGKPSUFRLJX-XYOKQWHBSA-N 446.518 6.112 30 10 IKEE COc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OC 1875179107 STDKFASXNYRRKF-JLHYYAGUSA-N 446.499 5.201 30 10 IKEE C=C(CC)C[C@@H](NCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875653309 YLETWRIVPLHTGC-UHSQPCAPSA-N 445.603 6.212 30 10 IKEE C=CCN(CC[C@@H](NCCC)c1ccc(Br)cc1F)C(=O)OC(C)(C)C 1877001778 UDURZHLUZSAOAV-GOSISDBHSA-N 429.374 5.442 30 10 IKEE CCN(CC)c1cccc(OCC#CCNC(=O)c2ccccc2CCc2ccccc2)c1 1891728777 LSKZZJJXOIQSDU-UHFFFAOYSA-N 440.587 5.130 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC1(CNC(=O)OC(C)(C)C)CCCC1)NCCC 1922055196 PJRWQORTYMIPJZ-QHCPKHFHSA-N 430.633 5.603 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1N(C(=O)OC(C)(C)C)CCSC1(C)C 2018260338 BBLMFDFDZOPLBL-VXKWHMMOSA-N 448.673 5.259 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCC[C@H]2NC(=O)OC(C)(C)C)cc1 2031466559 URZOCXHOHPFLGZ-DVECYGJZSA-N 445.560 5.166 30 10 IKEE CN(C[C@@](C#N)(N(C(=O)OC(C)(C)C)c1ccc(F)cc1)C(C)(C)C)C(=O)OC(C)(C)C 2032015341 WXJWEKOUAKKQNC-XMMPIXPASA-N 449.567 5.743 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)[C@H]1CCSC1(C)C 2033645864 OJBVACVRRGAZHM-CJNGLKHVSA-N 425.392 5.614 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)CC12CCC2 2038094780 AMRKWHKQTKKUEU-DEOSSOPVSA-N 445.535 5.393 30 10 IKEE CCCc1ccc([C@H](C(C)C)n2nc(C3CCC3)c(C#N)c2I)cc1 2079858437 QAIULGXRGLTUDE-FQEVSTJZSA-N 447.364 5.825 30 10 IKEE ON=Cc1c(C(F)(F)F)nn([C@@H](c2ccc(C(F)(F)F)cc2F)C2CCC2)c1Cl 2079969979 LPDCHVKONJSHAR-CYBMUJFWSA-N 443.750 5.911 30 10 IKEE CCCCCCCN(C(=O)OCc1ccccc1)[C@H](C)c1ccc(Br)cc1 2081125332 JKNGMJHHCZGLFO-LJQANCHMSA-N 432.402 7.119 30 10 IKEE Cc1cc([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)sc1Br 2082337817 DDNGHAOHRAIODV-HNNXBMFYSA-N 427.408 6.344 30 10 IKEE Cc1sc([C@H](C#N)C(=O)CSc2ccccn2)nc1-c1ccc(Br)cc1 2084273036 VWJGHPXKRGFLMU-OAHLLOKOSA-N 444.379 5.245 30 10 IKEE C=CCC[C@H](C)[C@@H](NCCC)c1cc(Br)ccc1I 2102099799 GPXRLTVHTZMKOD-BLLLJJGKSA-N 436.175 5.697 30 10 IKEE CC1(C)OB(c2cc(Cl)cnc2Oc2cc(Cl)c(Cl)cc2Cl)OC1(C)C 2172631169 ZYEQIPIQJHUDQZ-UHFFFAOYSA-N 434.943 5.787 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](Nc2cc(Br)c(C#N)cc2F)[C@H]2CCCC[C@@H]21 2179392022 ZPUHLXMKTKHDHN-BVGQSLNGSA-N 438.341 5.050 30 10 IKEE C=CCCCCCCC[C@H](N)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2214620705 ZKZQRYUCXBIARK-JYFHCDHNSA-N 429.649 5.400 30 10 IKEE CC(C)(C)C#C[C@H](N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2218465628 ILCDVAJXCKIOGR-IGKIAQTJSA-N 429.560 5.255 30 10 IKEE C=CCCC[C@H](NCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229110259 BRRBYQKJSXMIOX-OALUTQOASA-N 425.411 5.219 30 10 IKEE CN[C@H](C#Cc1ccc(Cl)cc1)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2239463069 RIHOYNCBCANLMR-LJQANCHMSA-N 449.776 5.762 30 10 IKEE C=CCN(CC[C@@H](NCCC)c1ccc(Br)cc1OC)C(=O)OC(C)(C)C 2239660409 INDOXZNWEKLHCY-GOSISDBHSA-N 441.410 5.312 30 10 IKEE N#Cc1c(Br)cccc1Oc1cc(I)ccc1Cl 2259914587 NWHLOHHHLWOOCI-UHFFFAOYSA-N 434.458 5.371 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCC(=O)O)c1ccc(Cl)cc1Br 2261984654 VUPMRJGSHXNKFT-LJQANCHMSA-N 425.706 5.018 30 10 IKEE CC(C)(C)OC(=O)NCc1cc(F)cc(Nc2cc(Br)cc(F)c2C#N)c1 2280498831 FWPSCVWLRGVJQN-UHFFFAOYSA-N 438.272 5.367 30 10 IKEE CC(C)CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1c(Br)cccc1C#N 2285220545 KSTMDTVVDMZOJH-KRWDZBQOSA-N 436.394 5.183 30 10 IKEE Cc1cccc(N=C2SC(=C3Sc4ccccc4N3C)C(=O)N2c2ccc(O)cc2)c1 2295203836 KEUSPPSJYVNLFB-UHFFFAOYSA-N 445.569 5.879 30 10 IKEE CCCCCC(C=Nn1c(O)nc2c([nH]c3ccc(OC)cc32)c1=O)=Cc1ccccc1 2295891381 NHDIHNHRYHQRHE-UHFFFAOYSA-N 430.508 5.090 30 10 IKEE CCN[C@@H](C#Cc1cccc(Br)c1)C(CC)(CC)CNC(=O)OC(C)(C)C 2296219504 PBMZKALVDOVPEB-IBGZPJMESA-N 437.422 5.110 30 10 IKEE COc1c(Cl)cc(Cl)cc1C=CC(=O)C=Cc1cc(Cl)cc(Cl)c1OC 2297453293 XZWYIFJCMITUSW-UHFFFAOYSA-N 432.130 6.613 30 10 IKEE Cc1ccc2oc(-c3cccc(N=Cc4ccc(I)cc4)c3)nc2c1 2297710169 BOQHSGCDXSGPDT-UHFFFAOYSA-N 438.268 6.158 30 10 IKEE O=C1C(=Cc2ccc(-c3ccccc3)cc2)Oc2cc(OCc3ccc(Cl)cc3)ccc21 2314437701 UKNHTDMLBFZOJD-UHFFFAOYSA-N 438.910 7.202 30 10 IKEE CC(C)c1ccc(C=C2Oc3cc(OCc4c(Cl)cccc4Cl)ccc3C2=O)cc1 2314438100 HLRYHIRDNYZGBE-UHFFFAOYSA-N 439.338 7.312 30 10 IKEE Cn1cccc1C=C1SC(=Nc2nc(-c3ccccc3)cs2)N(c2ccccc2)C1=O 2314543373 BYPDZRNUKUPTLN-UHFFFAOYSA-N 442.569 5.957 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 2319204208 NOIGHAQGTHFNJY-QKNQBKEWSA-N 443.588 5.712 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2N=Cc2ccc(Cl)cc2)c(C)c1 2320907614 UUTLMOYHFSCRGB-UHFFFAOYSA-N 439.972 5.039 30 10 IKEE CCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1N=Cc1cccc2ccccc12 2321059146 ORVAVZUHAUVZCD-UHFFFAOYSA-N 443.576 5.224 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OCc4ccccc4Cl)c3C)C2=O)c1OC 2321762202 HBSUVUCVYYQKES-UHFFFAOYSA-N 436.891 5.861 30 10 IKEE Cc1cc(C)cc(CSc2nnc(C)n2N=Cc2cccc(OCc3ccccc3)c2)c1 2321817816 RAFGFTYMBCTMOE-UHFFFAOYSA-N 442.588 5.957 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc2cc[nH]c2c1 2321823557 DTIBWDQICSGXCW-UHFFFAOYSA-N 444.391 6.193 30 10 IKEE CCN(CC)CCCN1COc2c(cc3c(c2C)OC(=Cc2ccccc2Cl)C3=O)C1 2322378793 GWWQPTHHDTXJJN-UHFFFAOYSA-N 440.971 5.148 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccccc2)c(OCC)c1 2322922423 JOJWUULXHYHJOK-UHFFFAOYSA-N 436.935 6.613 30 10 IKEE Cc1ccc(NC(=O)COc2cccc(C=CC(=O)c3cccc4ccccc34)c2)cc1C 2323203540 XUKSDZRXSDPGQW-UHFFFAOYSA-N 435.523 6.370 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2F)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 2323423093 FSRLVVPHUJLFOK-UHFFFAOYSA-N 431.463 6.088 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3cccc(OC)c3)cc2Cl)o1 2323486996 ZBYDYOBPVYXCPK-UHFFFAOYSA-N 440.879 5.593 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCc3cccc(C)c3)cc2)cc1OCCC 2323744064 SZCGIALCGNKSAM-UHFFFAOYSA-N 444.571 7.048 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(OC)c1OCc1cccc(Cl)c1 2323759558 NCOJGOYNHAGQGO-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE Cc1cc(OC(=O)c2cccc(OC(C)C)c2)cc2c1C(=O)C(=CC=Cc1ccccc1)O2 2323812487 SCNUUIOPUNJECE-UHFFFAOYSA-N 440.495 6.174 30 10 IKEE Cc1cc(OC(=O)c2ccc(OC(C)C)cc2)cc2c1C(=O)C(=Cc1ccc(F)cc1)O2 2323813233 OFHFZCAQGBDJEG-UHFFFAOYSA-N 432.447 5.757 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OCc1ccc(F)cc1 2324058780 FJRFMUQVJGULOU-UHFFFAOYSA-N 448.534 6.616 30 10 IKEE CCN(CC)Cc1c(O)cc(C)c2c1OC(=Cc1cn(CC)c3ccc(OC)cc13)C2=O 2324133177 KVCBADHHZCOOHE-UHFFFAOYSA-N 434.536 5.142 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OCc1c(Cl)cccc1Cl 2324195007 OTWIIMVZFOHKPO-UHFFFAOYSA-N 445.317 7.006 30 10 IKEE COc1cc(C(=O)C=Cc2ccc(OCc3ccccc3)c(OC)c2)c(OC)cc1Cl 2324420827 SMLJTSDQVRBXDR-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OCc3cc(C)ccc3C)c([N+](=O)[O-])c2)c(C)c1 2324555187 XQJHBVKUCLHXRN-UHFFFAOYSA-N 429.516 6.612 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2324693577 PBNYDVTWXHVFPM-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE Cc1c(OCC(=O)NC2CCCCC2)ccc2c1OC(=Cc1ccccc1Cl)C2=O 2325327198 BGSSKBZLYQLQAR-UHFFFAOYSA-N 425.912 5.092 30 10 IKEE Cc1cc(OCc2ccc(C(=O)OC(C)C)o2)cc2c1C(=O)C(=CC=Cc1ccccc1)O2 2325388122 YFYMTYIVTWJCCD-UHFFFAOYSA-N 444.483 5.905 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCC(=O)Nc4cc(C)cc(C)c4)cc(C)c3C2=O)c1 2325721786 BZBYPCMXZIOHLX-UHFFFAOYSA-N 427.500 5.554 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2OC)cc1OC(=O)c1ccc(C)c([N+](=O)[O-])c1 2325723279 OTPNPTQOESHFHU-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(F)cc4)cc(C)c3C2=O)cc1 2325728546 SPIVEVVXAYGMDT-UHFFFAOYSA-N 431.463 5.330 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(Br)cc3)c2)cc1 2325750816 WVTIQOMXZPJBCA-UHFFFAOYSA-N 449.344 6.688 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2cccc(Oc3ccccc3)c2)c1)c1ccc(F)cc1 2325751370 WNTOLNPDFTZQHW-UHFFFAOYSA-N 438.454 6.733 30 10 IKEE CCCSc1nnc(CCCOc2ccc(OC)cc2)n1N=Cc1cccc(Cl)c1 2326272479 TYWPRDABOKLBMJ-UHFFFAOYSA-N 444.988 5.336 30 10 IKEE CCOc1cc(C=Nn2c(C)nnc2SCc2ccc(C)cc2)cc(Cl)c1OC 2326295460 SGFDCZLVOAVKSD-UHFFFAOYSA-N 430.961 5.130 30 10 IKEE CCSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1cc(Cl)ccc1O 2326379971 DZUGXGFGHFCQEL-UHFFFAOYSA-N 444.988 5.260 30 10 IKEE Cc1cc(C)cc(CSc2nnc(C)n2N=Cc2ccc(OC(C)C)c(Cl)c2)c1 2326399141 QUPOVFWFFTYKQE-UHFFFAOYSA-N 428.989 5.818 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1ccc(Br)cc1 2326444495 XUWCKILFPVWZCX-UHFFFAOYSA-N 443.414 5.784 30 10 IKEE Cc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1cccc(C(F)(F)F)c1 2326567565 BOAYMEJJBGQKEL-UHFFFAOYSA-N 428.842 5.572 30 10 IKEE C=C(C)CSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1ccc(O)c(OC)c1 2328156032 SYERYXNFXWWDND-UHFFFAOYSA-N 442.629 6.007 30 10 IKEE C=CCSc1nnc(COc2c(C)cccc2C)n1N=Cc1cccc(OCCC)c1 2328559515 TYTPADGXHDFGDD-UHFFFAOYSA-N 436.581 5.423 30 10 IKEE CCSc1nnc(CCCOc2ccccc2)n1N=Cc1ccc(Br)cc1 2328730016 DDJBNFQBHCQEPZ-UHFFFAOYSA-N 445.386 5.046 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCOc3ccccc3)n2N=Cc2ccco2)c1 2329200198 SPLKVNMHUZPNSB-UHFFFAOYSA-N 432.549 5.284 30 10 IKEE Cc1cccc(C=Nn2c(Cc3ccccc3F)nnc2SCc2cc(C)ccc2C)c1 2329745813 YKFDUCWKNODVHE-UHFFFAOYSA-N 444.579 6.108 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccco1 2329789373 FHKRMFCSKYOJOR-UHFFFAOYSA-N 444.894 5.568 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cc(C)ccc3C)n2N=Cc2cccc(F)c2)cc1 2329995296 UOOLPPUPTVSFKP-UHFFFAOYSA-N 444.579 6.108 30 10 IKEE Cc1ccc(CSc2nnc(Cc3cccs3)n2N=Cc2ccc(Cl)cc2)cc1 2330317216 DUOCKKZWSIJTKH-UHFFFAOYSA-N 439.009 6.067 30 10 IKEE CCCOc1cccc(C=Nn2c(Cc3cccs3)nnc2SCc2ccccc2)c1 2330390445 YHTRIYSMNADXPA-UHFFFAOYSA-N 448.617 5.894 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2cccc(C)c2)nnc1-c1cccs1 2330549558 PIKWEUJPKFAWQG-UHFFFAOYSA-N 446.601 6.054 30 10 IKEE Clc1cccc(C=Nn2c(SCc3ccccc3Cl)nnc2-c2cccs2)c1 2330584461 VAODCEMHXKUVMO-UHFFFAOYSA-N 445.400 6.488 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@@H]3CCCO3)n2N=Cc2ccc(C(C)(C)C)cc2)c1 2330961676 TVTQGQHCWRBYBU-QHCPKHFHSA-N 448.636 6.218 30 10 IKEE Clc1ccc(CSc2nnc(C3CCCC3)n2N=Cc2cccc(Cl)c2)cc1 2331086529 FDYYMPGQVQJDSP-UHFFFAOYSA-N 431.392 6.417 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)c1ccccn1 2331096977 OXVWWKKDIGMRFP-UHFFFAOYSA-N 443.833 5.527 30 10 IKEE FC(F)(F)c1nnc(SCc2cccc(Cl)c2)n1N=Cc1cccc2ccccc12 2331154830 MSPZCBZCPQYAGH-UHFFFAOYSA-N 446.885 6.278 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)Cc1ccc(F)cc1 2331216329 WRXBWSJKHJYUKO-UHFFFAOYSA-N 448.490 5.504 30 10 IKEE Cc1cccc(CSc2nnc(C(C)(C)C)n2N=Cc2ccc(Cl)c([N+](=O)[O-])c2)c1 2331377442 ZRPSGVOQNXJLLS-UHFFFAOYSA-N 443.960 5.620 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(Cl)c3)c([N+](=O)[O-])c2)cc1 2331498437 QIUXABVRQHQCJG-UHFFFAOYSA-N 449.890 6.487 30 10 IKEE O=C(Cc1ccc(Cl)c(Cl)c1)Oc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1 2331555088 SMAQKKFVQUMIFT-UHFFFAOYSA-N 447.264 6.316 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)c1sccc1C 2331556052 KCBPFZDUBGWRHV-UHFFFAOYSA-N 444.455 5.467 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OC(=O)[C@H](C)c1ccccc1 2331566074 DDWLNPFLZSYZEZ-QGZVFWFLSA-N 436.454 5.969 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)Cc1ccc(C)c(C)c1 2331708747 RQITYFRIPHVJJK-UHFFFAOYSA-N 442.555 6.363 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)cc(OC)c1OC(=O)CCC 2331869857 DLAQRIXDJKABIW-UHFFFAOYSA-N 444.527 6.187 30 10 IKEE CC1(C)C[C@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)[C@H]1OCc1ccccc1 2339547397 PWUHNUQHNRVJFD-KCLGYEACSA-N 434.389 5.522 30 10 IKEE CC1(C)CC=C(B2OC(C)(C)C(C)(C)O2)CN1Cc1sc(Cl)cc1Br 2346064441 REKWGHISSMMMLX-UHFFFAOYSA-N 446.647 5.706 30 10 IKEE Cc1cc(CNc2ccc(Br)cc2Cl)cc(B2OC(C)(C)C(C)(C)O2)c1 2369677356 LKXILUGAPONHDX-UHFFFAOYSA-N 436.586 5.322 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(O)cc2)cc1 21226854 OZBLUESEQWINFN-UZTOHYMASA-N 426.516 5.770 30 10 IKEE Cc1ccc(N/C(=N\C(=O)c2ccccc2Cl)NCCc2c[nH]c3ccccc23)cc1 32943351 RSHCQPJNPKEQOS-UHFFFAOYSA-N 430.939 5.570 30 10 IKEE CC(C)(C)c1ccc(/C=C2\Oc3cc(OCc4ccc([N+](=O)[O-])cc4)ccc3C2=O)cc1 33368907 JMKQWVHLXDQERN-OYKKKHCWSA-N 429.472 6.088 30 10 IKEE O=C(/C=C\c1cc(Cl)cc2c1OCOC2)c1cc(Cl)ccc1OCc1ccccc1 33786609 BJLHGORFIZVQSD-VURMDHGXSA-N 441.310 6.335 30 10 IKEE Cc1ccc2c(C)c(C(=O)c3c(C)c(C#N)c(=O)n([C@@H](C)c4ccccc4)c3O)oc2c1C 38623508 LQELWCFAKKRQOD-SFHVURJKSA-N 440.499 5.246 30 10 IKEE C=CCOc1ccc([C@@H]2c3c(oc4ccc(CC)cc4c3=O)C(=O)N2c2nccs2)cc1 38730629 PEJNDNKVBUJLBC-OAQYLSRUSA-N 444.512 5.127 30 10 IKEE COc1ccc(Nc2oc(-c3ccc(OCc4ccccc4Cl)cc3)nc2C#N)cc1 39841553 ZSSNKLPSOKVKID-UHFFFAOYSA-N 431.879 6.198 30 10 IKEE C=CCc1ccc(OCCCCn2c([C@@H](C)NC(=O)C(=C)C)nc3ccccc32)c(OC)c1 40191202 JUYCFXSKYCMEAB-HXUWFJFHSA-N 447.579 5.386 30 10 IKEE C=C(C)COc1ccccc1NCC(=O)Nc1ccc(NC(=O)c2cccc(C)c2)cc1 66062920 WGMPSGOEAHRCQS-UHFFFAOYSA-N 429.520 5.253 30 10 IKEE C=C(C)COc1ccc(NC(=O)CNc2cccc(C(=O)N[C@H](C)c3ccccc3)c2)cc1 66096867 ARBIPNSNBLGBEX-HXUWFJFHSA-N 443.547 5.183 30 10 IKEE CCCCCCCCCCCCCCCCNCC(=O)Nc1cccc(NC(=O)CC)c1 100055860 ASZZUBPSVVWZJX-UHFFFAOYSA-N 445.692 7.045 30 10 IKEE CCCCCCCCc1ccc(-c2ccc(C3=N/C(=C\c4ccc(C)o4)C(=O)O3)cc2)cc1 100166127 WVIVSZMKIGRAQS-OOAXWGSJSA-N 441.571 7.503 30 10 IKEE CC/N=C1\S[C@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1C1CCCCCC1 103892034 YOGWQOHIDGWWFP-LTRAUPRXSA-N 442.412 5.365 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2cc(C)ccc2C)=C(O)C(=O)N1c1cccc(F)c1 169940047 VCNKOZSQQANARM-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccccc2OC)cc1 169945333 IHKNNFIHRBGQRY-XMMPIXPASA-N 443.499 5.104 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccc(N(C)C)cc2)cc1 169953702 MSKZRAWZMJWVBI-RUZDIDTESA-N 440.543 5.461 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccc(O)cc2)cc1C 169963666 POIYMAKEJHHGBR-JOCHJYFZSA-N 435.426 5.070 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2cccc(C)c2)cc1 169969803 DTUNUZNTZVVXHT-HSZRJFAPSA-N 447.918 5.830 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2cccs2)cc1 169982803 ZULZGVUHSFYNSK-HSZRJFAPSA-N 442.540 6.136 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2cccs2)cc1 169988622 LZUMDIHMUZGPGA-QFIPXVFZSA-N 433.529 5.152 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccccc2C)cc1 170088486 FADJCMOZXUFMJP-DEOSSOPVSA-N 438.483 5.268 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)[C@@H]2c2ccco2)c(C)c1 170094862 FIWKCACPLXURAR-HSZRJFAPSA-N 447.487 5.167 30 10 IKEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccco2)cc1 170097084 XCRAUUPJPLSYMG-NRFANRHFSA-N 437.879 5.110 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@@H]2c2ccc(C)o2)c1 170099625 HOZQSLNIAYKWAR-QHCPKHFHSA-N 447.487 5.087 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccc(C)c2)c1 170140833 XRMWQBKYPJBDPO-RUZDIDTESA-N 441.527 5.875 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@@H]1c1cccc(C)c1 170147324 BRHRLNTULANYOH-VWLOTQADSA-N 449.591 6.286 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccs2)c1 170153857 XEMNRPZZQGVTLF-NRFANRHFSA-N 431.469 5.286 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1cccs1)c1ccc2c(c1)CCCC2 170155745 FJFLSVDSFPYXII-JOCHJYFZSA-N 433.504 5.549 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2cccs2)cc1 170157358 JVOQWXHXPTYJHS-QFIPXVFZSA-N 449.528 5.271 30 10 IKEE NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1c1ccc(C(F)(F)F)cc1 170179904 WIFRCPYSXLTJQN-UHFFFAOYSA-N 435.858 5.199 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccccc2)c1 170227739 HRCFDJGTUPQMGT-VWLOTQADSA-N 439.511 5.362 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccccc2)c1 170229034 IMMHNPFPULDCHU-HSZRJFAPSA-N 449.453 5.537 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C2CCCCC2)cc1 170266570 UQQVIORSYMZOGF-AREMUKBSSA-N 443.587 6.039 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccc2C)c(C)c1 170270726 JAQJAFQXULOMDE-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2cc(F)ccc2F)o1 170306149 KKWCCQSBNTZFAZ-NRFANRHFSA-N 435.382 5.395 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2sccc2C)c1 170316499 CHRGZQJWPKIJKF-OAQYLSRUSA-N 448.544 5.019 30 10 IKEE Cc1[nH]c2ccccc2c1[C@@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1Cc1ccc(F)cc1 170424846 SYBLVFXZPDOUKE-JOCHJYFZSA-N 446.503 5.455 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc(CC(=O)O)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 170469116 IDYDFGSROGDHFG-JOCHJYFZSA-N 449.547 5.126 30 10 IKEE C=CCCCCC[C@H](NCC)c1cc(Br)ccc1I 233543076 KIWAXACJMXHJDW-INIZCTEOSA-N 436.175 5.841 30 10 IKEE FC(F)(F)c1ccccc1NC(=S)NN=Cc1c(-c2ccccc2)[nH]c2ccccc12 254844760 QCPSHYHTHRMICA-UHFFFAOYSA-N 438.478 6.174 30 10 IKEE C=CCON=C(CCC)C1C(=NOCC)CC(C[C@H](C)SCC)CC1=NOCC 254871049 MSKXSYDVWIKAML-LYGNXSNRSA-N 425.639 5.688 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(Cl)cc2)c1 526485631 FZIKHQYNUUONCV-XMMPIXPASA-N 444.918 6.058 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(N(C)C)cc2)cc1 526604548 ORHOILLLAXNHEZ-VWLOTQADSA-N 439.515 5.080 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@@H]1c1cccc2ccccc12)c1ccccc1 526772490 JLTFOINNQYLCQP-RUZDIDTESA-N 449.462 5.351 30 10 IKEE CCn1cc(/C=N\n2cnnc2SCc2c(Cl)cccc2Cl)c2ccccc21 526814064 JPTJOXCJPDAGIC-VROXFSQNSA-N 430.364 5.734 30 10 IKEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1c(C)n(C)c2ccccc12 526815122 VXGFWKQRJRAAAJ-MYKKPKGFSA-N 444.391 5.868 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1cc(OC)ccc1OC 526819330 SUXZFIDXEUHMMS-MYYYXRDXSA-N 438.597 5.429 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccc(O)c([N+](=O)[O-])c1 526821417 RNWJPRZSTDKCKF-OYKKKHCWSA-N 447.520 5.172 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1ccc(OCCC)cc1 526825920 PCZACLJOTOKGNM-XYGWBWBKSA-N 426.561 5.723 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)/C=C/c3ccc(C)cc3)C2)c1 586003062 XMPNHZNGDRRRFJ-DACFSCGWSA-N 445.607 5.267 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CC[C@H](CNC(=O)OC(C)(C)C)C1 724066206 AMNVSFLVMBEGKV-BXKMTCNYSA-N 445.560 5.024 30 10 IKEE COCO[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCC(=O)OC)[C@H]12 725237573 JYIDECZSCQDTCO-RBSVDQLZSA-N 446.628 5.323 30 10 IKEE CCOc1cc(C=NNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1F 1084657428 REOWOZUBTCCFMB-UHFFFAOYSA-N 443.862 5.811 30 10 IKEE CC(C)c1ccc(NC(=O)[C@@]23CC[C@@](C)(C(=NOC(=O)c4ccccc4)C2)C3(C)C)cc1 1772722848 YDQZUEWMXYRIGZ-RRPNLBNLSA-N 432.564 6.178 30 10 IKEE O=C1/C(=C/c2ccc(O)cc2)SC(=NN=Cc2ccc(Cl)cc2)N1Cc1ccco1 1772757924 MQYMPGSWNVOAJK-GBUPQRAWSA-N 437.908 5.145 30 10 IKEE OCc1c(-c2c(F)c(F)c(F)c(F)c2F)cncc1-c1c(F)c(F)c(F)c(F)c1F 1848358344 AIQLQCTWZVYDCI-UHFFFAOYSA-N 441.224 5.299 30 10 IKEE Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2/C=N\NC(=S)Nc2cccc(F)c2)cc1 1857808471 DGWHSZXQZDKJLE-VYYCAZPPSA-N 447.514 5.446 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc2nc(-c3cccc(OCCC)c3)[nH]c2c1 1861863271 AAHQCYBCMNYYCX-UHFFFAOYSA-N 435.612 6.889 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cccc(O)c1)c1ccc(Cl)cc1Cl 1862382139 LHXQEPVNOJHXBY-LJQANCHMSA-N 432.303 5.220 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccc(F)cc2)cc1 1862391422 ZXSUUHJCUJUPOC-DEOSSOPVSA-N 444.506 5.342 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccc(O)cc2)cc1C 1862400503 GIOBSZXZNCDHAP-XMMPIXPASA-N 449.547 5.400 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862413119 WCIWJSORGAINEH-WAIKUNEKSA-N 433.454 5.613 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(OCC)cc1 1862418561 JPZFSPUKCHIPGA-OAQYLSRUSA-N 429.463 5.132 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@H]2c2ccc(C)cc2)cc1 1862428894 AEQUKVXYEMRYTK-HSZRJFAPSA-N 431.919 5.735 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CC(C)C)c1 1862437623 VOPAUPPVUVNBSQ-OAQYLSRUSA-N 427.928 5.363 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OCc2ccccc2)cc1 1862483744 HACJOIMFMDEODD-DEOSSOPVSA-N 427.500 5.172 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccc2ccccc12 1862493885 AAGOOMPDSARGRM-SANMLTNESA-N 441.571 6.615 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccccc1Br 1862513112 YLFALPCMXGOZNM-YJYMSZOUSA-N 446.316 5.273 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccccc2)cc1 1862515180 TVTPEWAAKBAQHT-RUZDIDTESA-N 445.559 5.944 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1[N+](=O)[O-] 1862582454 FFXZZMVWOVCLMW-ADLMAVQZSA-N 449.290 5.278 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(F)c2)cc1 1862614425 APLCKHFUMLEJMA-HSZRJFAPSA-N 444.506 5.297 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2cc(Cl)cc(Cl)c2)cc1 1862668020 ORBVQXTZFIIJQZ-FQEVSTJZSA-N 432.347 6.104 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc(O)c1 1862674378 MUTYMIUQYDPBMK-DENIHFKCSA-N 425.500 5.469 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@H]1c1ccccc1Cl)c1ccc(F)cc1 1862675339 IGQQSEXFAQNJJW-QFIPXVFZSA-N 441.930 6.170 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2Cc2ccccc2)c1 1862713890 ZGVLEVBUUJEQKV-AREMUKBSSA-N 433.507 5.927 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3cccc(C#N)c3)C(=O)N(CCC3=CCCCC3)C2=O)c1 1863403010 QEWGBOQSQGJETM-UHFFFAOYSA-N 425.532 5.258 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2Cl)=C(c2ccccc2Cl)C1=O 1863449712 NRMGPNZDEWDASU-UHFFFAOYSA-N 445.390 6.546 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccccc2OC)=C(c2cccs2)C1=O 1863474512 ARQCEGDUDHYRPJ-UHFFFAOYSA-N 440.609 6.089 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2C(=O)OC)=C(c2cccs2)C1=O 1863476784 BVMATBIEIQYONI-UHFFFAOYSA-N 440.565 5.087 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(OCC)cc2)C(=O)N(C2CCCC2)C1=O 1863565413 XXJBDYXIOUBZTK-UHFFFAOYSA-N 440.628 5.838 30 10 IKEE CCCCCCCCNC1=C(c2ccc(F)cc2F)C(=O)N([C@@H](C)c2ccccc2)C1=O 1863658718 YAFOPZWQWBKPKP-SFHVURJKSA-N 440.534 5.756 30 10 IKEE N#Cc1cc(Br)c(NC(=O)C2(c3ccccc3)CCCC2)c(Br)c1 1866221769 VOYQRMTYHQYQEE-UHFFFAOYSA-N 448.158 5.534 30 10 IKEE C[C@H](CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(C#N)cc1)c1cccc(Cl)c1 1867170270 UZWTYUUZTPYLAZ-HOYKHHGWSA-N 445.950 5.071 30 10 IKEE CC(C)(C)c1nc(Nc2ccccc2C#N)cc(N2CC[C@@H](c3ccc4c(c3)OCO4)C2)n1 1868350369 HPILTDHPVGMINE-LJQANCHMSA-N 441.535 5.112 30 10 IKEE COc1ccc2c(c1)CCN(c1cc(Nc3cccc(C#N)c3)nc(-c3ccccc3)n1)[C@@H]2C 1868354752 LUHIKAQDQYHEKN-LJQANCHMSA-N 447.542 5.891 30 10 IKEE C=CCN(CC=C)c1cc(N(C)c2ccc(OC)c(OC)c2)nc(-c2cccc(OC)c2)n1 1869317683 GHODLRNGTWCSOC-UHFFFAOYSA-N 446.551 5.116 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(C)cc2)cn1Cc1ccc(F)cc1 1870768183 QCKHAEHVKICADG-UHFFFAOYSA-N 432.539 5.097 30 10 IKEE CCCCCCCOc1cn(CC)c(CNc2ccc(N(CC)CC)cc2C)cc1=O 1870836274 SRRFSZOBSKYCHD-UHFFFAOYSA-N 427.633 5.984 30 10 IKEE CCCCCCCCn1cc(OCCC(=O)OCC)c(=O)cc1CNc1ccccc1 1870878350 LMOPNLYLNAXLBV-UHFFFAOYSA-N 428.573 5.153 30 10 IKEE COc1ccccc1/C=C1\Oc2c(ccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2C)C1=O 1871374677 ASWPMRGGHJQBGX-XKZIYDEJSA-N 445.427 5.056 30 10 IKEE CCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871379916 MRBOWTSOUOQDPV-DTAINRSBSA-N 446.886 5.974 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OCCOc4ccc(C)cc4)ccc3C2=O)c2ccccc21 1871406013 PGENJTLHBFFHCM-YUMHPJSZSA-N 439.511 6.044 30 10 IKEE Cc1c(O[C@H](C)C(=O)Nc2ccccc2)ccc2c1O/C(=C\c1ccc(N(C)C)cc1)C2=O 1871406488 SBUDWQXYGZBLCV-GJQHCVRFSA-N 442.515 5.083 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4cc(Cl)ccc4C)ccc3C2=O)c1 1871414949 YLWJRFNCFJPESL-SAMUYDCASA-N 447.918 5.979 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OCc4cc(C)c(C)cc4C)ccc3C2=O)c2ccccc21 1871417280 GJRBOXIKIUQUFD-MUXKCCDJSA-N 437.539 6.782 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc(C)c(C)c1 1871968999 OUIPGOZXOHYLFL-QHCPKHFHSA-N 446.588 5.063 30 10 IKEE C=CCN([C@@H](C(=O)Nc1cccc(C)c1)[C@@H](C)CC)S(=O)(=O)c1c(C)cc(C)cc1C 1872268138 QIDYWQSCMPCZQQ-WMZHIEFXSA-N 442.625 5.150 30 10 IKEE COc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)c(OC)c1 1872760294 LHFZUXVLOHEOJE-YUAYGMJFSA-N 440.524 5.870 30 10 IKEE CCc1ccc(-c2csc([C@@H](C#N)C(=O)/C(=C\c3ccccc3)c3ccccc3)n2)cc1 1872761352 LQUKOBGNFLSXRL-LUPSEXQWSA-N 434.564 6.790 30 10 IKEE Cc1cc(OCC(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc(C)c1Cl 1872773835 ZBLXKTYSEGYQOP-INIZCTEOSA-N 440.908 5.064 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(C(C)(C)C)cc3)n2)c(C)c1C 1872778091 CYLWESLNSWDDNC-SNMYMPMCSA-N 444.600 6.623 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(C(C)C)cc3)n2)c(C)c1C 1872779012 ZKWCHRULQDNGBT-UBQCRTFRSA-N 430.573 6.449 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccccc2F)=C(c2cccc(OC)c2)C1=O 1873046188 TXFUDYAJPNLIJN-UHFFFAOYSA-N 438.543 5.065 30 10 IKEE COc1ccc(/C=N/Nc2ccc(Br)cc2)cc1OCc1cccc(Cl)c1 1873498760 HPUJTFGUMQFGNW-ZMOGYAJESA-N 445.744 6.136 30 10 IKEE CCCSc1nnc(C(C)C)n1/N=C/c1ccc(OCc2ccccc2)c(OCC)c1 1873503532 NKJAIYFNDZSISH-PCLIKHOPSA-N 438.597 5.764 30 10 IKEE CCc1ccc(N2CC(=O)C(c3nc(-c4ccccc4)c(-c4ccccc4)s3)=C2N)cc1 1873527819 SHSMPNHHIKZUJC-UHFFFAOYSA-N 437.568 5.756 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2F)n1/N=C/c1cccc(F)c1 1874395509 OIGILDQSAYPIKI-VSWHYLHOSA-N 434.515 5.883 30 10 IKEE CCCSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1cc(Br)ccc1F 1874399424 PBJLVYWLLVXVIW-JMKVTYIUSA-N 447.377 5.716 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2ccccc2C)cc1 1874452733 KFXDYRHPQLHZKR-WGOQTCKBSA-N 447.608 5.420 30 10 IKEE CC(C)Cc1nnc(SCCc2ccccc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874490475 SJYILLUKYLBNST-CVKSISIWSA-N 432.515 5.712 30 10 IKEE Fc1ccccc1CSc1nnc(C2CCC2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874495912 LIZBDVOZIBIJIE-BHGWPJFGSA-N 435.355 6.166 30 10 IKEE Fc1ccc(COc2ccc3ccccc3c2/C=N/n2c(S)nnc2C(F)(F)F)cc1 1874559787 OTKMLNVRJDTWDD-KBKYJPHKSA-N 446.429 5.339 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1 1874571313 HECFZLKJJQGFEX-UKTHLTGXSA-N 443.886 6.877 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccccc2OCc2ccccc2)cc1OCCC 1874576344 IWWZJSUPQVLPBN-JQIJEIRASA-N 430.544 6.739 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(C(C)C)cc1 1874584134 YAPITCMXKVVAKQ-ACCUITESSA-N 441.999 6.387 30 10 IKEE CCc1ccc(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc(OC)c(Cl)c2)cc1 1874591177 WWEOYUMNTSOQRR-GXDHUFHOSA-N 449.934 5.825 30 10 IKEE O=C(COc1cccc(/C=C/C(=O)c2cccc(Br)c2)c1)Nc1ccccc1 1874594969 NEMVLKWZMMDWRJ-OUKQBFOZSA-N 436.305 5.363 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OCc1nc(O)c2ccccc2n1 1874595915 BJVCSWLYXIHUGN-UKTHLTGXSA-N 426.472 5.128 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(-c4ccccc4)cc3)cc2)c1 1874601346 GGQAVCAOOBYBIF-XDHOZWIPSA-N 447.534 6.576 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Cl)c1OCc1ccccc1F 1874608737 DVGNSZGATIENCC-ZHACJKMWSA-N 431.290 6.616 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(/C=C/C(=O)c3cccc(Cl)c3)cc2Cl)c1 1874612186 HAZWVQSTAFVYLD-CSKARUKUSA-N 440.326 6.215 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3F)c(Br)c2)cc1 1874616433 ZKAPQKAYBSPVII-XYOKQWHBSA-N 425.297 6.372 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OCc1ccccc1Cl 1874624148 OAFKIILCPKAWSU-OQLLNIDSSA-N 434.963 7.337 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)Cc1ccc(F)c(C)c1 1874698081 KLKHJAZQDZZVPS-NYYWCZLTSA-N 449.434 5.095 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OC(=O)c1ccc([N+](=O)[O-])cc1 1874704132 XVGBHNSGDQJPLO-QDEBKDIKSA-N 435.407 5.166 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@@H](C)Oc3ccc(Cl)cc3)c2)cc1C 1874714344 QLELIDGKJDEMJI-XOVNIXPASA-N 434.919 6.226 30 10 IKEE C=CCN(CC=C)CCC(=O)c1cccc(NC(=O)CCCOc2ccc(CC)cc2)c1 1874722798 PDBGCMOOFVKDFW-UHFFFAOYSA-N 434.580 5.294 30 10 IKEE C[C@@H](C(=O)Oc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1Cl)c1ccccc1 1875088043 NFDZACOUDLBWDO-YBHKSSGVSA-N 435.863 5.853 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)cc3)c(Cl)c2)cc1C 1875107160 CYWSEYMUONFCRN-BJMVGYQFSA-N 438.882 5.840 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)c2cccc(Cl)c2)c(Cl)c1 1875118982 YADQLKVWSBSXRT-PKNBQFBNSA-N 427.283 6.117 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2Cl)cc1 1875126143 RQBVTMCDRSDLFT-UUILKARUSA-N 441.310 6.046 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)CCCSC 1875131143 JRHATTKYAXDIQK-CSKARUKUSA-N 432.969 5.910 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1 1875133145 HGIMAIIYEVNOEH-ONNFQVAWSA-N 445.729 7.071 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)CSc1ccccc1 1875134518 WEMZLQPTGBYXRK-JLHYYAGUSA-N 432.541 5.906 30 10 IKEE CCCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2cc(C)ccc2OC)cc1OC 1875145661 RZDYJOUHBODXEG-CMDGGOBGSA-N 447.325 5.376 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)c3cccc(C)c3)c(OC)c2)c1 1875146719 BEINXGULHNHMBX-DHZHZOJOSA-N 432.472 5.136 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)c1cccc(Cl)c1 1875158124 GXTWNXQSLYAETN-IZZDOVSWSA-N 440.854 5.612 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)c(C)c3)cc2)c1 1875171965 WEPUPMXAFQJMRI-XNTDXEJSSA-N 444.527 6.216 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cc(OC)c(OC(=O)C2CCC2)c(OC)c1 1875180043 FAIJKAGLZUPJJB-CMDGGOBGSA-N 444.911 5.276 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cccs3)cc2)c2ccccc12 1875190780 QKYWKBYEVPNSNC-GXDHUFHOSA-N 428.509 5.954 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1C[C@]12CCCN(C(=O)OC(C)(C)C)C2 1922101846 ZORWFMOKIHMNHP-FXSPECFOSA-N 428.617 5.165 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NC)c1scc(Br)c1Br 1922119627 OWMNJJAWUPFEPY-OAHLLOKOSA-N 431.193 5.307 30 10 IKEE CN(CCN(Cc1ccccc1)c1ccc(Br)cc1C#N)Cc1ccccc1 1932082290 VEASKNQOPCXHTQ-UHFFFAOYSA-N 434.381 5.459 30 10 IKEE CC[C@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1938158430 XVMLQARPHGRAER-QAPCUYQASA-N 437.968 5.525 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)cc1 1944076866 ZEDCZPODRPARMC-IBGZPJMESA-N 443.569 6.097 30 10 IKEE C#Cc1ccc([C@@H]2[C@H](C(=O)O)CCN2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 1952802276 XAKNHWNHRZTSBC-AOYPEHQESA-N 437.495 5.065 30 10 IKEE CCC[C@@H]1CC[C@@H](C#N)[C@H]([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)C1 1983609771 ZEGISDNGHKYMSK-IUPPTMKVSA-N 446.547 5.334 30 10 IKEE Cc1ccc(C(=O)Nc2cccc(C=C3SC(=Nc4cc(C)ccc4C)NC3=O)c2)cc1 2042445976 KJWREIBXDUVDKW-UHFFFAOYSA-N 441.556 5.756 30 10 IKEE CC[C@@H]1[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)CC[C@]1(C#N)NC(C)C 2058737664 KFTKAOUHSYTVGK-OZNIXHKMSA-N 432.656 5.070 30 10 IKEE Cc1ccc([C@H](C2CCC2)n2nc(C(C)(C)C)c(C#N)c2I)cc1 2079032678 HYOWZJGMNCCWEA-KRWDZBQOSA-N 433.337 5.355 30 10 IKEE CC[C@H](c1ccc(C(F)(F)F)cc1)n1nc(C(F)(F)F)c(C=NO)c1Br 2079933544 ACTVIFPLIWWNNX-LLVKDONJSA-N 444.173 5.491 30 10 IKEE C[C@@H](c1ccc(C2CCC2)cc1)n1nc(C2CC2)c(C=NO)c1I 2079950407 DYJLDEMLKBXONI-LBPRGKRZSA-N 435.309 5.050 30 10 IKEE C=CCCCCCC[C@H](N)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2085842035 MTYZIDWDENQHAK-MHZLTWQESA-N 429.604 7.371 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCCCC[C@@H]1Nc1ccc(C#N)c(Br)c1F 2106036732 BIHGPRZRECSQRC-KBPBESRZSA-N 426.330 5.098 30 10 IKEE CC[C@@]1(CNc2cc(Br)cc(F)c2C#N)CCCN1C(=O)OC(C)(C)C 2107451050 MNMGLTWCAUOXDW-IBGZPJMESA-N 426.330 5.051 30 10 IKEE CC[C@H]1CN(c2ccc(C#N)c(Br)c2F)[C@@H](CC)CN1C(=O)OC(C)(C)C 2174808896 SZYSIHBZKBFQEI-GJZGRUSLSA-N 440.357 5.074 30 10 IKEE C=CCCCC[C@@H](NCCC)[C@H](O)c1cc(Br)c(Br)s1 2179676017 BTVLNPNNPLHYRJ-OCCSQVGLSA-N 425.230 5.421 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@](C)(C#N)c1ccc(CN)cc1 2187551492 LECWANUFYUORHA-OAQYLSRUSA-N 430.346 5.088 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(C)c(Br)cc1C 2201064802 ZYIFUIBEEGYEPS-WOJBJXKFSA-N 437.422 5.413 30 10 IKEE CN[C@H](C#Cc1ccccc1Br)CCC1(NC(=O)OC(C)(C)C)CCCC1 2235724386 MFTSYSWVMYFDPD-GOSISDBHSA-N 435.406 5.006 30 10 IKEE CC(C)(C)OC(=O)Nc1c(Cl)cc([C@H](O)C#Cc2cccc(Cl)c2)cc1Cl 2239459958 ATNMRDQZRYLRHY-QGZVFWFLSA-N 426.727 6.079 30 10 IKEE CC(C)(C)C#CC=CCC(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248507772 CCXMMTPSIUIAQW-UHFFFAOYSA-N 425.569 5.005 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1cc(Br)cc(C(C)(C)C)c1 2273003218 MBOQFTUYCKAOJC-ROUUACIJSA-N 425.411 5.477 30 10 IKEE CC1(C)OB(c2cc(Nc3cccc(OCc4ccccc4)c3)ccc2[N+](=O)[O-])OC1(C)C 2282937059 AWTJZKAVQPPHFF-UHFFFAOYSA-N 446.312 5.217 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(F)cc(Br)c1F 2288348931 KENIMVFQHLLKJV-AEFFLSMTSA-N 447.364 5.628 30 10 IKEE O=C1C(=Cc2ccc(Br)cc2)CCCC1=Cc1ccc(Br)cc1 2294930939 HXRSOYCNABLYMF-UHFFFAOYSA-N 432.155 6.432 30 10 IKEE O=C1C(=CNCCc2ccc(Cl)cc2Cl)Nc2ccc(Br)c(Cl)c21 2295934276 TZNHOYJXOBGSOX-UHFFFAOYSA-N 446.559 5.691 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@@](C)(CCC)NC(=O)OC(C)(C)C 2296296720 QVFGUXFVJHFLLB-SIKLNZKXSA-N 437.422 5.252 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)C(=C(O)c4ccco4)[C@@H]3c3ccccc3)sc2c1 2296608288 ODMCDKCDPHGAPK-FQEVSTJZSA-N 430.485 5.078 30 10 IKEE Cc1cccc(C)c1N=C1SC(=Cc2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1 2296737704 ARBUPTTYLSOIQS-UHFFFAOYSA-N 429.501 6.020 30 10 IKEE O=C1C(=Cc2ccc(Cl)c([N+](=O)[O-])c2)SC(=Nc2ccccc2)N1c1ccccc1 2297325344 CGSSCFISYSKLIY-UHFFFAOYSA-N 435.892 6.057 30 10 IKEE O=C1NC(=Nc2ccc(O)cc2)SC1=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 2297462412 UPQKROPZXASXBH-UHFFFAOYSA-N 431.300 5.851 30 10 IKEE CCCN[C@H](C#CC1CCC1)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2315779645 RUIIULRKZFJXOF-SHQCIBLASA-N 440.628 5.002 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccc([N+](=O)[O-])cc2)cc1 2318574282 JFRHXJAYHFPHAE-UHFFFAOYSA-N 443.532 5.260 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CC2)cc1 2320889478 IPMSNBLBHDWSIO-UHFFFAOYSA-N 440.016 5.830 30 10 IKEE CCCCCCCCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccccc1)C3=O 2322131490 ONWNPCYYPJBOIH-UHFFFAOYSA-N 433.592 6.904 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(N(C)C)cc1)C3=O)CN([C@H]1CCCC[C@@H]1C)CO2 2322391745 BDEVAFHLLCDFFE-SBUREZEXSA-N 432.564 5.408 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCc2ccc(F)cc2)cc1 2322456885 JVBFMYGULLQFKJ-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccccc2)c1OCc1c(F)cccc1Cl 2322545662 JTCJENRGJBYCAZ-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccccc2OCc2cccc(F)c2)cc1 2322749029 YHKCCGFHDNWQOK-UHFFFAOYSA-N 446.562 7.650 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cc(Cl)ccc2OCc2ccccc2C)cc1C(C)C 2322799330 ZLMIUFHOMZMBDD-UHFFFAOYSA-N 448.990 7.564 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2cccc(OC)c2OCc2ccccc2)c1 2322863998 VLAWBJJFHIGSCL-UHFFFAOYSA-N 432.516 5.968 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2cccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)c2)c1 2323046683 JSVBOZRHFDMICW-UHFFFAOYSA-N 430.460 5.125 30 10 IKEE Cc1ccc(CCC(=O)Oc2ccc3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)cc1 2323078826 DBRGOPLYXQWXQT-UHFFFAOYSA-N 429.428 5.058 30 10 IKEE C=C(C)COc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1Br 2323583751 QNPFCEHQDMUFKG-UHFFFAOYSA-N 436.143 6.063 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2OC)cc(OC)c1OCc1cc(C)ccc1C 2323718798 CSZSNMCJPDQDNN-UHFFFAOYSA-N 442.555 6.524 30 10 IKEE CCOc1c(Br)cc(C=NNc2nc(-c3ccccc3)cs2)cc1OC 2323865222 WCPFFJGOKMZHRO-UHFFFAOYSA-N 432.343 5.426 30 10 IKEE CCCOc1c(Br)cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1OCC 2324380934 LTUINNBDVSKOAX-UHFFFAOYSA-N 447.369 6.158 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O 2325005075 WKXLGVCNYPIHBO-UHFFFAOYSA-N 447.918 5.845 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OCC(=O)Nc4cc(C)cc(C)c4)c3C)C2=O)c1 2325721878 ZCXBMZDHZHXXOE-UHFFFAOYSA-N 443.499 5.254 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 2325722465 XBEQRLNZTYIVCS-UHFFFAOYSA-N 429.472 6.008 30 10 IKEE CCc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccc(C)cc2)C3=O)cc1 2325722782 ZNBKZBRCFBJORO-UHFFFAOYSA-N 427.500 5.500 30 10 IKEE Cc1cc(C(=O)C=Cc2cccc(OC(=O)Cc3cc(Cl)ccc3Cl)c2)ccc1F 2325741880 TZTRELRWYLIRQS-UHFFFAOYSA-N 443.301 6.485 30 10 IKEE COc1cc(C=Nn2cnnc2SCc2ccccc2)ccc1OCc1ccccc1F 2326208331 YMJSIINNXDQSDU-UHFFFAOYSA-N 448.523 5.179 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1cccc(OCC)c1OC 2326252199 MMBHWULMNBTGCG-UHFFFAOYSA-N 442.560 5.342 30 10 IKEE CCOc1ccc2ccccc2c1C=Nn1c(CC)nnc1SCc1ccccc1F 2326269115 NFGYVQBSDPOJRL-UHFFFAOYSA-N 434.540 5.706 30 10 IKEE CCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1cccc([N+](=O)[O-])c1 2326927001 MIQDQZHHGZBPGV-UHFFFAOYSA-N 439.585 5.330 30 10 IKEE CSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1c(Cl)cccc1Cl 2327147444 FQZKVOXXRGOIOC-UHFFFAOYSA-N 435.380 5.509 30 10 IKEE Cc1ccc(OCCCc2nnc(SCc3ccccc3)n2N=Cc2cccs2)cc1 2327191081 MQPZNCLSVULHPM-UHFFFAOYSA-N 448.617 5.834 30 10 IKEE CSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccc(Br)cc1 2327235224 ULVDDVUUNOAQRG-UHFFFAOYSA-N 445.386 5.149 30 10 IKEE Cc1ccccc1CSc1nnc(COc2ccccc2Cl)n1N=Cc1ccccn1 2327619130 PCHVEIKBJWOGAL-UHFFFAOYSA-N 449.967 5.388 30 10 IKEE CCSc1nnc(COc2c(C)cccc2C)n1N=Cc1ccc(Br)cc1 2328554337 FIICAJUZJOTPGM-UHFFFAOYSA-N 445.386 5.231 30 10 IKEE C=C(C)CSc1nnc(COc2cccc(C)c2C)n1N=Cc1cc(Cl)ccc1O 2328846842 HYMLLKLNDRMQQV-UHFFFAOYSA-N 442.972 5.383 30 10 IKEE COc1ccccc1C=Nn1c(COc2ccccc2)nnc1SCc1cccc(C)c1 2329891701 WIBBEJDZKLMHTI-UHFFFAOYSA-N 444.560 5.349 30 10 IKEE Clc1ccc(CSc2nnc(COc3ccccc3)n2N=Cc2ccccn2)cc1 2329921999 XAETXWZGFWIPRZ-UHFFFAOYSA-N 435.940 5.080 30 10 IKEE Clc1cccc(CSc2nnc(Cc3cccs3)n2N=Cc2cccs2)c1 2330431677 YZDLGBFQLBAISZ-UHFFFAOYSA-N 431.011 5.820 30 10 IKEE Clc1ccc(CSc2nnc(-c3cccs3)n2N=Cc2c[nH]c3ccccc23)cc1 2330600229 FPDUPMCPAGDSNT-UHFFFAOYSA-N 449.992 6.316 30 10 IKEE Fc1cccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2-c2cccs2)c1 2330603702 XGZCMSHLAOPEML-UHFFFAOYSA-N 428.945 5.974 30 10 IKEE CCSc1nnc(-c2ccccc2)n1N=Cc1ccc(N(CC)Cc2ccccc2)cc1 2330662071 NLYXSAPJHXWVSE-UHFFFAOYSA-N 441.604 5.966 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(OC)c2)ccc1OC(=O)c1ccccc1C 2330731972 SUBDKDKKNTZJAA-UHFFFAOYSA-N 446.499 5.526 30 10 IKEE C=C(C)CSc1nnc(C2CCCC2)n1N=Cc1cccc(OCc2ccccc2)c1 2331069125 YNBPLQXUKSQMTL-UHFFFAOYSA-N 432.593 6.065 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1cc(C)cc(C)c1 2331132541 VIHIHHBPWPKLAT-UHFFFAOYSA-N 434.919 6.471 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)c1cccc2ccccc12 2331164162 INVZDVGDTQUDID-UHFFFAOYSA-N 438.479 5.972 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OCC)cc2)cc(OC)c1OC(=O)c1ccccn1 2331211416 ALYZKXJJIKCMSN-UHFFFAOYSA-N 443.499 5.333 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1OCC 2331404017 RGYUAACRGUSFCD-UHFFFAOYSA-N 438.520 5.628 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(CC(C)C)n2N=Cc2sccc2C)c1 2331440171 KKNVPINVFWRCTA-UHFFFAOYSA-N 441.626 5.076 30 10 IKEE CC(C)COC(=O)CSc1nnc(C2CCC2)n1N=Cc1ccc(Cl)c(Cl)c1 2331541562 DRDRBUPHECAYHJ-UHFFFAOYSA-N 441.384 5.026 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)C(C)(C)C)c(OC)c2)c(C)c1C 2331611871 RYLKIJROIPBQMG-UHFFFAOYSA-N 430.928 5.822 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1Br 2331646953 KRBHMCQYWJSIOJ-UHFFFAOYSA-N 443.381 6.674 30 10 IKEE CCCc1nnc(SCCc2ccccc2)n1N=Cc1cc(Br)ccc1F 2331652779 BYTQQZCCMAKDEQ-UHFFFAOYSA-N 447.377 5.349 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1ccc(C)cc1 2331657437 IWXBHJUEWCMPOJ-UHFFFAOYSA-N 428.528 6.353 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3)cc2)cc1Cl 2331696087 OLTYGMJALWFWOX-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H]3CCCO3)c(Br)c2)cc1C 2331706926 SHNKYNIGUCRAAE-OAQYLSRUSA-N 429.310 5.046 30 10 IKEE C=CCN(CC[C@H](NC)c1cc(Br)cc(OC2CC2)c1)C(=O)OC(C)(C)C 2362719598 GIZMVQOSMWNDEH-IBGZPJMESA-N 439.394 5.064 30 10 IKEE CC[C@H](NCc1sccc1Br)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363844207 OOCLMUDNBPIVAP-KRWDZBQOSA-N 436.224 5.051 30 10 IKEE C=CCc1ccccc1OCC(=O)Nc1scc(-c2ccc(C)c(C)c2)c1C(=O)OCC 2610017 VFOLINAIRJOJNI-UHFFFAOYSA-N 449.572 5.955 30 10 IKEE O=C1/C(=C\c2ccc(-c3ccccc3OC(F)(F)F)o2)CSc2ccc(Cl)cc21 12369196 NSHJFOLWROMZSD-XFXZXTDPSA-N 436.838 6.871 30 10 IKEE Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@@H]3c2ccc(Cl)cc2)cc1 19630857 NSFXZRIULSZWTK-AFMDSPMNSA-N 439.946 6.414 30 10 IKEE COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(-c4ccc([N+](=O)[O-])cc4)c32)cc1 20134799 GIHWLBZUBFIBJV-FQEVSTJZSA-N 444.491 5.194 30 10 IKEE O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1c(Cl)cccc1Cl)Nc1ccccc1N2 20881966 IVKUZMAZBFTXIQ-JCQPUDPBSA-N 441.383 7.034 30 10 IKEE COc1cccc([C@@H]2C(C(=O)Nc3ccccc3F)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 27547198 VRJMMVCEVLBWOQ-HSZRJFAPSA-N 434.511 5.077 30 10 IKEE COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccc(F)cc2)cc1OC 28052541 IOCYXWBLZAIPPU-MWTRTKDXSA-N 434.467 5.098 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccccc2Br)c1)c1ccc(Cl)cc1 34955095 SIJWAQUPSWNNME-MDWZMJQESA-N 441.708 6.218 30 10 IKEE CCCCOc1ccc(/C=C2\S/C(=N/c3nc(C)cs3)N(CC)C2=O)cc1OC 39865264 FFGGVRDYENMPQT-LMCHCYRTSA-N 431.583 5.263 30 10 IKEE C=CCc1ccc(OCCCCn2c([C@@H](C)NC(=O)CCC)nc3ccccc32)c(OC)c1 40189052 KWAGUMWDAWLLQS-HXUWFJFHSA-N 449.595 5.610 30 10 IKEE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1/C(=N/Nc1ccc(F)cc1)CCC2 40823828 MZDSNHHGXAQSDO-MTDXEUNCSA-N 446.309 6.439 30 10 IKEE CCOc1ccccc1N/C(=N/C(=O)c1ccc(C(C)(C)C)cc1)NCc1ccncc1 45939473 OARIYXWYAWXVSF-UHFFFAOYSA-N 430.552 5.176 30 10 IKEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)C1c2ccccc2Oc2ccccc21 90730459 ZMIRUSHHFDEZOU-UHFFFAOYSA-N 437.417 5.142 30 10 IKEE CCCCCCCOc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1OC 100133476 DZIRVTRHWSRBRZ-SANMLTNESA-N 448.563 6.404 30 10 IKEE CCOc1ccc(/N=C/c2cc(Cc3ccccc3Cl)cc(Br)c2O)cc1 100242772 OGGDUGLWAWCOEE-AFUMVMLFSA-N 444.756 6.548 30 10 IKEE O=C1/C(=C\c2cc(Cl)cc3c2OCOC3)Oc2cc(OCc3ccc(F)cc3)ccc21 102720340 MRFTVKPEYRPCTH-LSFURLLWSA-N 438.838 5.541 30 10 IKEE COc1cc(/C=N/Nc2ccc(C)c(Cl)c2)ccc1OCc1c(Cl)cccc1Cl 169879397 NHPSYIAQPDPNMT-RPPGKUMJSA-N 449.765 6.989 30 10 IKEE CCCCCCCOc1ccccc1/C=N\n1c(S)nnc1Cc1ccc(F)cc1 169913705 INZSMQNFSICXJO-UQQQWYQISA-N 426.561 5.528 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc3c(c2)OCO3)=C(c2cccs2)C1=O 170018392 SXPQCSAJOQFKQT-UHFFFAOYSA-N 426.538 5.029 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccncc2)c1 170025529 ZEZDJLRLNJLPBM-XMMPIXPASA-N 426.516 5.094 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(O)c(Cl)c2)c1 170040793 YAFLIEXANICDBW-JOCHJYFZSA-N 433.891 5.445 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(O)c(Cl)c1)c1cc2ccccc2o1 170043924 QCOVLSDKCMJDJG-NRFANRHFSA-N 437.879 5.313 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(C)o2)cc1 170102173 LQGBSVVGDQINKG-NRFANRHFSA-N 437.879 5.029 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccccn2)c1 170170231 KQMCPHJOWIOHHL-DEOSSOPVSA-N 442.515 5.269 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(OC)c3)[C@H]2c2ccccn2)cc1 170170772 OUZBXFCGAOTMNN-JOCHJYFZSA-N 448.906 5.089 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@H]1c1ccccn1 170171877 IEPRQWSNQAWPLJ-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccncc2)c1 170209258 JKGQRDKFJCKESW-HSZRJFAPSA-N 434.536 5.027 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(OCC(C)C)c1 170219010 GUJOHHGICSLWHB-OAQYLSRUSA-N 427.928 5.363 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2)ccc1Cl 170223296 IKGUWGSBIISGTJ-NRFANRHFSA-N 437.854 5.271 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1 170236702 PZAWRUXOOFCHPZ-LJQANCHMSA-N 428.872 5.017 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2c2ccc(F)c(F)c2)o1 170299305 YOSHNUHZGVLNDD-HSZRJFAPSA-N 449.453 5.528 30 10 IKEE CCOc1cccc(/C=C2\SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)c1O 252626801 RFVVUCLNNPKHOI-MLSYBWHESA-N 444.556 6.216 30 10 IKEE CCc1ccccc1N=C1S/C(=C\c2ccccc2Cl)C(=O)N1c1ccccc1CC 252642361 ZLIKNLUFMVQUGZ-AIMMPNMZSA-N 447.003 7.273 30 10 IKEE Cc1cccc(-n2c(C)cc(C=Nn3cnc4sc5c(c4c3=O)CCCC5)c2C)c1C 254765433 QCDVQMAPZBDBHX-UHFFFAOYSA-N 430.577 5.243 30 10 IKEE CCCCN1C(=O)/C(=C2/Sc3ccccc3N2CC)SC1=Nc1ccc(F)cc1 254870568 WFTROEHQCDJWQO-KNOSKDQYSA-N 427.570 5.990 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2ccc(Br)cc2)cc1 526489022 OOMKCIOIJWSAKU-IBGZPJMESA-N 437.318 5.439 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(Nc2cccc(C#N)c2)=C(SCc2ccco2)C1=O 526667608 CXYZEBVRIZCIFY-UHFFFAOYSA-N 449.919 5.243 30 10 IKEE Cc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1cccc(Br)c1 526816587 AGTHDOMCOPXINL-NKVSQWTQSA-N 439.741 5.316 30 10 IKEE CC(C)(C)OC(=O)NC1(C(=O)C2=CCCCCCC2)CCN(Cc2ccccc2)CC1 693649448 KMBMFANVASEPIU-UHFFFAOYSA-N 426.601 5.396 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@H]1CCCN1C(=O)OC(C)(C)C 698371956 GDHVTNMDUKLNMG-DVECYGJZSA-N 445.560 5.118 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@H](C#N)c1ccc(OCc2ccccc2)cc1 698972705 RTRHAZAWYYOZNK-XMMPIXPASA-N 448.950 6.925 30 10 IKEE CCCCCCCCCCCC[C@@H](CN(Cc1ccccc1)C(=O)OC(C)(C)C)NCC 701432795 YCSGMVBKXJTYAU-SANMLTNESA-N 446.720 7.713 30 10 IKEE O=[N+]([O-])c1cccc(C=NNP2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)c1 886014678 OVKJBEGYDFQFGT-UHFFFAOYSA-N 431.388 5.824 30 10 IKEE C=CCSc1nc2ccc(N=Cc3ccc(OCCCCCCCC)cc3)cc2s1 1083908357 NHJYMRWWRVBZMQ-UHFFFAOYSA-N 438.662 8.064 30 10 IKEE CCCOc1ccc(NC(=O)[C@H]2CC(=O)N(CC)C(=Nc3cccc(Cl)c3)S2)cc1 1084160660 MNJBOTGNBQJOHR-LJQANCHMSA-N 445.972 5.109 30 10 IKEE Clc1ccc(-n2c(-c3ccccc3)cc(C=NNc3ccccc3)c2-c2ccccc2)cc1 1084170541 MWKXJYUWUBGBNQ-UHFFFAOYSA-N 447.969 7.911 30 10 IKEE Oc1cccc(N/C(=N/Cc2cc(Br)ccc2F)NCc2cccs2)c1 1088736253 PQCJRNVKNDCWBT-UHFFFAOYSA-N 434.334 5.113 30 10 IKEE C=CCCCCCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1cscc1C 1740855014 CENAXVMZYXICOB-UHFFFAOYSA-N 448.596 5.195 30 10 IKEE CCN1C(=O)/C(=C/C(C)=C\c2ccccc2)SC1=Nc1nc(-c2ccccc2)cs1 1772733508 BXBDGVLXUFCFRM-RMBFMXSBSA-N 431.586 6.380 30 10 IKEE O=C1/C(=C\c2cccc(Cl)c2)SC(=Nc2ccncc2Cl)N1C1CCCCC1 1772735179 GYHRYSFLCQTHLR-KHCNQNERSA-N 432.376 6.325 30 10 IKEE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=S)Nc2ccccc2)CCC3)cc1 1772749895 GRFAXEPMTWUYGC-UHFFFAOYSA-N 432.549 5.176 30 10 IKEE O=C1/C(=C\c2ccccc2F)SC(=NN=C/C=C\c2ccccc2)N1Cc1ccco1 1772759031 KABWHWKATCWJBJ-XZTACXQBSA-N 431.492 5.590 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](CC)NC(=O)c1ccc2[nH]c(-c3ccc(C(C)C)cc3)nc2c1 1862095353 BMSCNEZGVKWBBK-QFIPXVFZSA-N 444.579 5.062 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(F)cc2F)=C(O)C(=O)N1Cc1ccc(F)cc1 1862412153 XVGBAJRUBMAAFL-QFIPXVFZSA-N 437.417 5.191 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862486957 OPWVPWKRTAWUTO-NLFFAJNJSA-N 425.528 5.951 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)c1 1862493339 NDENRNLFOJQMQM-RZPHLTDDSA-N 447.575 5.859 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccccc2C(=O)O)c1 1862493810 YJACVANXXMQYRM-AMHTUMDSSA-N 447.531 5.159 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2cccc(Cl)c2)c1 1862503426 XIZMYWPJIZMXHY-HSZRJFAPSA-N 449.909 5.874 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(O)cc1 1862544577 GTZXJBPGBDQFAO-WSNNEZGNSA-N 445.559 5.428 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2cccc(F)c2)cc1 1862614753 DPVMAENXDIRQIE-DEOSSOPVSA-N 443.518 5.902 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1c(F)cccc1Cl 1862619698 AUWNWUKCWWSSAZ-NRFANRHFSA-N 443.946 6.011 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CCCCC2)cc1 1862665205 BHDGNWSGFLUHJW-VWLOTQADSA-N 447.575 6.120 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccccc1F 1862687020 FHIFJOGPJJTCKT-WZONZLPQSA-N 439.527 5.772 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cc(Cl)cc(Cl)c2)cc1 1862689954 DIYAVSSNSUUMHI-FQEVSTJZSA-N 446.330 5.523 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862700300 DIRSALQAWXAVIG-DEOSSOPVSA-N 449.547 5.395 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(F)cc1 1862702899 ONEAUINHYLTXRA-QHCPKHFHSA-N 439.527 5.773 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(F)cc1 1862714787 GLFHKXQWPQUJGZ-XMMPIXPASA-N 431.507 6.138 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862716610 JXDXLMSGISAOIZ-NRFANRHFSA-N 438.310 5.911 30 10 IKEE Cc1ccc(C2=C(Nc3cccc4cccnc34)C(=O)N(c3cccc(C#N)c3)C2=O)cc1C 1862879608 XKYHIBPTDJKHOB-UHFFFAOYSA-N 444.494 5.120 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(Nc2cccc(C#N)c2)=C(c2c[nH]c3ccccc23)C1=O 1863495544 XPENWULBKMGNNV-HXUWFJFHSA-N 440.547 5.590 30 10 IKEE CC(C)Oc1ccc(/C=C(/C(=O)Nc2sc3c(c2C#N)CCC3)c2ccccc2)cc1 1865905900 XWPXEBALHCMYTC-PXLXIMEGSA-N 428.557 6.075 30 10 IKEE N#Cc1cc(Br)c(NC(=O)c2cccc(Cl)c2Cl)c(Br)c1 1866123729 QKUMOMNOMMXHPI-UHFFFAOYSA-N 448.929 5.642 30 10 IKEE CCCOc1ccc(-c2csc(NC(=O)c3ccc(C#N)cc3)c2C(=O)OCC)cc1 1866125287 TYHKHDCYKISIQL-UHFFFAOYSA-N 434.517 5.505 30 10 IKEE C[C@H]1c2ccc(C#N)n2CCN1C(=O)c1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 1866353230 CKJUFWZTECXKJN-SFHVURJKSA-N 440.547 5.127 30 10 IKEE CCCc1nc(Nc2ccccc2C#N)cc(N2CCS[C@@H](c3ccc(OC)cc3)C2)n1 1868398123 JKPXUGHQJIVPCJ-JOCHJYFZSA-N 445.592 5.347 30 10 IKEE C=CCn1cc(OCC(=O)Nc2cc(Cl)ccc2C)c(=O)cc1CSC(C)(C)C 1870203544 URXJWLFHNPAAKQ-UHFFFAOYSA-N 434.989 5.045 30 10 IKEE CCCCCCCCn1cc(OCCCC(=O)OCC)c(=O)cc1CSC(C)(C)C 1870241757 LAIKXCDIDKNUMJ-UHFFFAOYSA-N 439.662 5.963 30 10 IKEE CCCCCCCOc1cn(CCOC)c(CSc2nc3ccccc3s2)cc1=O 1870252439 SWYWBRRALKZGAO-UHFFFAOYSA-N 446.638 5.746 30 10 IKEE CCCCCCCOc1cn(Cc2ccccn2)c(CN(C)Cc2ccccc2)cc1=O 1870414589 RZQHLPJUWHOAHA-UHFFFAOYSA-N 433.596 5.273 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2C)c(=O)cc1CN1CCC(C)CC1 1870628161 VSAMWGYTUBJALZ-UHFFFAOYSA-N 438.656 6.328 30 10 IKEE C#CCOc1cn(CCCCCC)c(CNc2cccc(OCc3ccccc3)c2)cc1=O 1871008678 ILSRFCZJHKQKDB-UHFFFAOYSA-N 444.575 5.632 30 10 IKEE Cc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(CCc1ccc(Cl)cc1)C3 1871344498 IDVKUZJMPFGXTE-OYKKKHCWSA-N 445.946 5.968 30 10 IKEE COc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN(CCc2ccccc2)C3)C1=O 1871349114 YMGIESBWRBUQRL-IWIPYMOSSA-N 427.500 5.014 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)ccc3C2=O)cc1 1871375190 XSZRYJRUSOPQTE-XGAOGLQDSA-N 444.914 6.698 30 10 IKEE Cc1cccc(OCCCCOc2cc(C)c3c(c2)O/C(=C\c2ccccc2Cl)C3=O)c1 1871403021 AOLSLGZLPCNOST-XYGWBWBKSA-N 448.946 6.811 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(F)c(F)c4F)ccc3C2=O)c1 1871443484 SNNOLEUEFSGYJW-JMIUGGIZSA-N 439.389 5.046 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(C(C)C)cc1)C(C)C)S(=O)(=O)c1ccc(F)cc1 1871829251 IHXONJRYWWXSLY-QHCPKHFHSA-N 446.588 5.179 30 10 IKEE N#C[C@@H](C(=O)Cc1ccc(Cl)c(Cl)c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1872759558 SFZNQDKAXNBAAU-AWEZNQCLSA-N 432.288 5.444 30 10 IKEE COc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccccc3Cl)cs2)cc1 1872764731 WMNFCTOSEGMTEW-GOSISDBHSA-N 426.925 5.508 30 10 IKEE N#C[C@@H](C(=O)/C=C/c1ccccc1Cl)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872769507 TZEXXCYXOVFCEZ-OWNNVSBGSA-N 433.747 6.660 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)Cc3ccc(F)c(C)c3)n2)cc1C(C)C 1872779885 TYIPWAJVPZGIDP-FQEVSTJZSA-N 436.552 6.117 30 10 IKEE COc1cc(-c2csc([C@@H](C#N)C(=O)Cc3ccccc3F)n2)c(OC)cc1Cl 1872780865 MSKHKWUNHPPROO-AWEZNQCLSA-N 430.888 5.039 30 10 IKEE COc1c(Cl)cc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(C)cc3)n2)cc1Cl 1872785248 JFIKMGQTZGLGKA-HNNXBMFYSA-N 431.344 5.853 30 10 IKEE Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)s3)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1872788432 ZZSAKLYODZXTMP-LLVKDONJSA-N 448.869 5.140 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(OC)cc1C)n2CC 1873619456 BNDPKYCSEUBWIF-UHFFFAOYSA-N 437.588 5.793 30 10 IKEE C=CCn1c(C(=O)Nc2ccc3nc[nH]c3c2)cc2c(NCCC3=CCCCC3)ncnc21 1873639357 NWBISACEQZEVQV-UHFFFAOYSA-N 441.539 5.048 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)cc2C)cc2c(NCc3ccc(O)cc3)ncnc21 1873641216 HKWLOSFSQPEOSB-UHFFFAOYSA-N 447.926 5.149 30 10 IKEE N#Cc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(Cc3ccccc3)C23CCCCC3)cc1 1873866855 HDTJGZCRRNZXRK-SANMLTNESA-N 449.554 5.639 30 10 IKEE Cc1cc2oc(=O)c(CC(=O)Nc3ccccc3C#N)c(C)c2c2occ(C(C)(C)C)c12 1873868415 BTSLCRRJVVXOPE-UHFFFAOYSA-N 428.488 5.506 30 10 IKEE CCCCCCCCNC(=O)CCc1c(C)c2cc3c(cc2oc1=O)OC(C)(C)CC3 1873891410 BCHYXZRUERJHCW-UHFFFAOYSA-N 427.585 5.614 30 10 IKEE COc1ccc(/C=N/n2c(CCCOc3ccc(C(C)(C)C)cc3)nnc2SC)cc1 1874195611 XNDXYALLSXLKGM-KOEQRZSOSA-N 438.597 5.200 30 10 IKEE CCSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1cc(Cl)ccc1O 1874225317 DZUGXGFGHFCQEL-ZVHZXABRSA-N 444.988 5.260 30 10 IKEE C=CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1c[nH]c2ccccc12 1874244606 KOMZOVOMGHJKRF-JVWAILMASA-N 431.609 5.679 30 10 IKEE CCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1cn(C)c2ccccc12 1874248199 FIAAAEBSPREUKS-PCLIKHOPSA-N 433.581 5.084 30 10 IKEE C=CCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc(C(C)(C)C)cc1 1874279978 XHKSQAVPNDZRAH-YZSQISJMSA-N 439.028 6.175 30 10 IKEE C=CCSc1nnc(COc2c(C)cccc2C)n1/N=C/c1ccc(OCCC)cc1 1874300703 YZDHZCKWSZIRKN-PCLIKHOPSA-N 436.581 5.423 30 10 IKEE C=CCSc1nnc(Cc2ccc(OCC)cc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874303055 FLNVGXDVOQHTMN-ZVHZXABRSA-N 447.391 5.735 30 10 IKEE CCCOc1cccc(/C=N/n2c(COc3cccc(C)c3C)nnc2SCCC)c1 1874324842 VHGWRCSGLOCDRB-PCLIKHOPSA-N 438.597 5.647 30 10 IKEE Clc1cccc(CSc2nnc(CCc3cccs3)n2/N=C/c2ccco2)c1 1874374421 WNSYXXQCXDONSS-LPYMAVHISA-N 428.970 5.546 30 10 IKEE COc1ccccc1/C=N/n1c(Cc2ccc(C)cc2)nnc1SCCc1ccccc1 1874389568 SURADGQRTNUWNU-ZXVVBBHZSA-N 442.588 5.403 30 10 IKEE Fc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccccc2F)c(F)c1 1874407542 CFMWFAUVFHYUOQ-MZJWZYIUSA-N 444.526 5.993 30 10 IKEE Cc1cccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2cccc3ccccc23)c1 1874418949 PORMEZWBZFQRIP-VUTHCHCSSA-N 448.595 6.505 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2cccs2)cc1 1874421569 RZXBAZPGSKUQAJ-YBFXNURJSA-N 427.536 5.151 30 10 IKEE Cc1ccccc1/C=N/n1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccccc1 1874427003 LSHDHSTUHWMSMV-WGOQTCKBSA-N 441.560 5.175 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2ccccc2C)cc1 1874427022 MIGKWQPFLSSUEK-WGOQTCKBSA-N 441.560 5.175 30 10 IKEE CCCOc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccc(C)cc2)cc1 1874435701 SRJAZQUMHQBEBY-YZSQISJMSA-N 436.625 6.138 30 10 IKEE O=[N+]([O-])c1ccccc1/C=N/n1c(SCc2ccccc2Cl)nnc1C1CCCC1 1874455643 CGTBOKDNGLWZHZ-YDZHTSKRSA-N 441.944 5.672 30 10 IKEE O=C(CSc1nnc(C2CCCC2)n1/N=C/c1ccc(Cl)cc1)NC1CCCCC1 1874456746 ILXMTQPKETYUSO-ZVHZXABRSA-N 446.020 5.012 30 10 IKEE Cc1cccc(/C=N/n2c(CC(C)C)nnc2SCc2ccc(Cl)cc2Cl)c1 1874492288 HBSCGLICRFUGMC-WYMPLXKRSA-N 433.408 6.266 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2C(C)C)cc1 1874513775 PAAQDIAEYLCPGK-LGUFXXKBSA-N 436.625 6.188 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(Cl)cc1Cl 1874526303 WEAUSMGTIHITAE-DHRITJCHSA-N 441.387 6.475 30 10 IKEE Cc1cc(C(=O)/C=C/c2c(OCc3cccc(Cl)c3)ccc3ccccc23)ccc1F 1874580556 UBOZWGAWEBLLKC-ACCUITESSA-N 430.906 7.416 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)c1OCCCO 1874585163 LNULLASSHDBIAD-JLHYYAGUSA-N 438.907 5.798 30 10 IKEE CCCOc1c(OC)ccc(/C=C/C(=O)c2ccc3ccccc3c2)c1Br 1874592836 DYSBTCDUXKSJGX-ZRDIBKRKSA-N 425.322 6.296 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1OCc1cc(C)ccc1C 1874597198 ZDTVJWJZSPWDLW-OQLLNIDSSA-N 428.572 7.085 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OCC(=O)N[C@@H](C)c1ccccc1 1874598955 OCWYTGOBSQJIFS-KVDXNUTJSA-N 443.543 5.464 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC)c(OCc3cccc(Cl)c3)c2)cc1C 1874599826 GEHDFXVDANFTMP-CSKARUKUSA-N 436.935 6.449 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OCC(=O)OC 1874602106 USKUXJWHYKQUQC-LFIBNONCSA-N 442.511 5.539 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(OC)c1OCC(=O)OCC(C)C 1874605342 XCGFHJLLSFNDOM-SDNWHVSQSA-N 436.548 5.460 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OCc1cccc(Cl)c1 1874614664 MYHRSRWIDPCHQC-VAWYXSNFSA-N 427.327 6.867 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OCc1cccc(Cl)c1 1874633038 JAHOQVDKVCTJIH-ACCUITESSA-N 446.974 7.169 30 10 IKEE CCCc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 1874692829 ZPEXIPVJOKUQHE-NTCAYCPXSA-N 445.471 5.428 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)CCc1ccccc1C 1874693091 MSILVBWBNICRFO-JLHYYAGUSA-N 445.471 5.346 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccccc2-c2ccccc2)c1)c1ccccc1Cl 1874696367 ALRSNRUYFQGUFQ-ISLYRVAYSA-N 438.910 7.122 30 10 IKEE O=C(Oc1cccc(/C=C/C(=O)c2cccc3ccccc23)c1)c1cc(Cl)ccc1Cl 1874708306 WCMLAFCYQQFHDU-SDNWHVSQSA-N 447.317 7.262 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cc(Cl)ccc2Cl)cc1)c1cccc(Cl)c1 1875123502 PPVHNUGEOSWQJV-IZZDOVSWSA-N 431.702 6.762 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(N(C)C)cc3)c([N+](=O)[O-])c2)ccc1F 1875141563 JYVOCAGSGZFEKW-UUILKARUSA-N 448.450 5.224 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)CC3CCCCC3)c([N+](=O)[O-])c2)ccc1F 1875141783 UVVWSEQGTAZBRM-YRNVUSSQSA-N 425.456 5.814 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OC(=O)CC(C)(C)C 1875151036 RAKMRIZQDNKWFT-SOFGYWHQSA-N 444.911 5.705 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(C)c3)c(Cl)c2)c(C)c1C 1875168225 YAKYITZMNGWJHY-DHZHZOJOSA-N 434.919 6.389 30 10 IKEE Cc1cnc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C(C)(C)C)ccc3C)cc2Cl)cn1 1875184213 NWOJPKQWYROLPZ-JXMROGBWSA-N 448.950 6.160 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)ccc1OC(=O)c1cccc(C)c1 1875194390 RBFLKMGKOSPDLD-JXMROGBWSA-N 436.891 5.781 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@H](C#N)[C@@H]1CCCCN1C(=O)OC(C)(C)C 1880102213 RYFIDYBTXUMOOW-VQTJNVASSA-N 429.561 5.105 30 10 IKEE C=C(COCc1ccccc1)[C@@H](O)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 1922104801 UIXORQQBFWEVKN-HXUWFJFHSA-N 448.357 5.603 30 10 IKEE Cc1cc(Br)c(F)c([C@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)c1 1927528379 LFIGEHAMFLXPEJ-SFHVURJKSA-N 433.321 5.899 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 1944696263 YGEBMJNDGUXQHR-QFBILLFUSA-N 433.524 5.106 30 10 IKEE C#CCCCCC[C@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 1947474584 JMSKEYWWBMQJDJ-DNQXCXABSA-N 430.633 5.439 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1CC(F)(F)CCN1C(=O)OC(C)(C)C 1948813939 GSJXECXTRNSXPS-NHCUHLMSSA-N 438.559 5.162 30 10 IKEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2020788148 DGFTZBQIENDWSM-DLBZAZTESA-N 443.535 5.093 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@]1(C)CCCN1C(=O)OC(C)(C)C 2020798615 MEDWOZRJMALTLH-NTKDMRAZSA-N 429.561 5.418 30 10 IKEE Cc1cccc(-c2cc(C=Cc3ccccc3[N+](=O)[O-])c(C#N)c3nc4ccccc4n23)c1 2053510977 YVAVTHYBUDYACU-UHFFFAOYSA-N 430.467 6.413 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)c(C)c(Br)c1)NCC 2063094797 KPXBIJCLRGHVIS-SJORKVTESA-N 431.802 5.011 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2076318624 PVGRDUIBJOFYIG-MZNJEOGPSA-N 447.551 5.497 30 10 IKEE CC(C)[C@H](c1ccc(C2CCC2)cc1)n1nc(C2CC2)c(C#N)c1I 2079946665 ZFWMLHANTOJOQR-HXUWFJFHSA-N 445.348 5.750 30 10 IKEE CC(C)Oc1ccc([C@H](n2nc(C3CC3)c(C=NO)c2Br)C2(C)CC2)cc1 2080125361 FWCRWWGCZYEMCC-IBGZPJMESA-N 432.362 5.508 30 10 IKEE C=CCN(C[C@H](NCCC)c1cccc(Br)c1Cl)C(=O)OC(C)(C)C 2081392751 RDFZNFAWWJEFTE-INIZCTEOSA-N 431.802 5.566 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1c1c(C2CCCCC2)nn2c(Cl)c(C#N)cnc12 2081495395 ZEQLQESKJFDBQX-QGZVFWFLSA-N 443.979 5.764 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCCCC[C@@H]1Nc1cc(Br)cc(F)c1C#N 2107451549 PQTSVVGWABOBST-HOTGVXAUSA-N 426.330 5.098 30 10 IKEE CCCc1c(-c2ccc(Br)cc2I)sc(C#N)c1N 2142286863 IZODBKMVOCLMNJ-UHFFFAOYSA-N 447.139 5.189 30 10 IKEE COc1ccc(C)c([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)c1 2145975366 HOWHAPLYCGVCMK-IBGZPJMESA-N 431.330 5.773 30 10 IKEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(CN(Cc2ccccc2)CC2CCCCC2)c1 2152158448 JIPNGEKYLMIPKP-UHFFFAOYSA-N 449.444 5.577 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCCN(C(C)(C)C)C1 2158639528 MRMAAYLHDIYDAB-NRFANRHFSA-N 436.394 5.347 30 10 IKEE C[C@@H]1[C@@H](Nc2cc(Br)cc(F)c2C#N)C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2163710072 BRKCGWBMHZPCAD-OUJAOWMXSA-N 438.341 5.048 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2cc(Br)ccc2C#N)c(F)c1 2181136749 JQUGYVBWJWKUIT-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE C=CCN(CC[C@H](NCCC)c1cc(Cl)cc(Cl)c1Cl)C(=O)OC(C)(C)C 2235595611 WKEBLLVEAYTKRC-KRWDZBQOSA-N 435.823 6.501 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)[C@H](C[C@@H](C)CC)NC(=O)OC(C)(C)C 2235727225 KBDYIERRHHZDPS-DBVUQKKJSA-N 437.422 5.108 30 10 IKEE C#CCN(CC(C)C)C(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2243919314 RULOCLYMOFTNMY-AREMUKBSSA-N 446.591 5.058 30 10 IKEE C=C(COC)[C@@H](OCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2275662568 VWGGXZVHMDKZGC-HHHXNRCGSA-N 448.515 5.190 30 10 IKEE O[C@@H](C#Cc1cccc(Br)c1)c1cccc(Br)c1Br 2278784045 OATMUCBOYCATRR-AWEZNQCLSA-N 444.948 5.059 30 10 IKEE C=C(C)CCCC[C@@H](OCC(=O)O)c1cc(Br)c(Br)s1 2292716154 XVAQHUJKIJAVKV-LLVKDONJSA-N 426.170 5.552 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C 2296284346 PYYFJWIKPSSAIB-MOPGFXCFSA-N 437.422 5.108 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)cc1 2299174624 SLIVHNVJPJGZQL-RTBURBONSA-N 429.561 5.274 30 10 IKEE CCc1ccc(N=C2SC(=Cc3cccc(C)c3)C(=O)N2c2ccc(CC)cc2)cc1 2313556878 NOHBORSDOZDUQA-UHFFFAOYSA-N 426.585 6.928 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2Cl)cc1)c1ccc(-c2ccccc2)cc1 2314429188 AKZXMFKIBWIGSE-UHFFFAOYSA-N 438.910 7.122 30 10 IKEE O=C1NC(=NN=Cc2ccco2)SC1=Cc1ccc(-c2c(Cl)cccc2Cl)o1 2314482221 CITYEBDFSKZRQJ-UHFFFAOYSA-N 432.288 5.440 30 10 IKEE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2Oc3ccc(C)cc3C2=O)cc1C 2314519715 ZQNSOHNRVZFDCS-UHFFFAOYSA-N 436.511 6.171 30 10 IKEE CCOc1cccc(C=C2Oc3cc(OC)ccc3C2=O)c1OC(=O)c1ccccc1C 2314527065 CMQZIEIQQYFWKV-UHFFFAOYSA-N 430.456 5.238 30 10 IKEE C=CCSc1nnc(CC)n1N=Cc1ccc(OCCCc2ccccc2)c(OC)c1 2321018171 MDGPPHPPYFFGDB-UHFFFAOYSA-N 436.581 5.021 30 10 IKEE CCCCCOc1ccc(C=Nn2cnnc2SCCc2ccccc2)cc1OCC 2321289992 GQSLLVGANJRFSQ-UHFFFAOYSA-N 438.597 5.463 30 10 IKEE CCOc1cc(C=NNc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(C)cc1 2321718140 JNXHMOBYTQLYQD-UHFFFAOYSA-N 429.347 6.726 30 10 IKEE CCn1cc(C=C2Oc3cc(OCc4ccc(F)cc4)cc(C)c3C2=O)c2ccccc21 2321799226 AAAGQHYBLWXMPT-UHFFFAOYSA-N 427.475 6.304 30 10 IKEE Cc1ccc(Cc2nnc(S)n2N=Cc2ccccc2OCc2ccccc2)cc1C 2321998423 KKNFHJKSLZFJDG-UHFFFAOYSA-N 428.561 5.236 30 10 IKEE COc1ccccc1C=C1Oc2c(cc3c(c2C)OCN(Cc2ccc(C)cc2)C3)C1=O 2322307587 JWAGLQXSYDJUHP-UHFFFAOYSA-N 427.500 5.280 30 10 IKEE CCCCC[C@H](CC)N1COc2c(cc3c(c2C)OC(=CC=Cc2ccccc2)C3=O)C1 2322356870 ZTNPBYGJRZPXNT-QHCPKHFHSA-N 431.576 6.678 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCc2ccccc2)cc1 2322391835 RYKRXQWGXUSRAM-UHFFFAOYSA-N 434.963 7.166 30 10 IKEE Cc1ccc(C(=O)C=Cc2c(OCC(=O)NCc3ccco3)ccc3ccccc23)cc1C 2322890060 TXSMNSGUXGRXFC-UHFFFAOYSA-N 439.511 5.641 30 10 IKEE CCc1ccccc1NC(=O)COc1cccc(C=CC(=O)c2cc(C)cc(C)c2OC)c1 2323260431 HJSGTVHRGKDNLZ-UHFFFAOYSA-N 443.543 5.788 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OCC(=O)Nc1ccc(C)cc1 2323302242 DVIKBLWRONBYCT-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2OC)cc(OC)c1OCc1ccccc1C 2323718881 MZXOTCRNVOOXHK-UHFFFAOYSA-N 428.528 6.216 30 10 IKEE CCCN(CCC(=O)OCC)Cc1c(O)cc(C)c2c1OC(=CC=Cc1ccccc1)C2=O 2323992303 AOJGBDDIUMNUHO-UHFFFAOYSA-N 449.547 5.038 30 10 IKEE Cc1c(OCC(=O)OCc2ccccc2)ccc2c1OC(=Cc1ccc(Cl)cc1)C2=O 2324233754 VSVAWKWTIRXPJK-UHFFFAOYSA-N 434.875 5.387 30 10 IKEE COC(=O)c1ccc(C=C2Oc3c(ccc(OCCOc4cccc(C)c4)c3C)C2=O)cc1 2324534719 AYKDTLCELOOVFO-UHFFFAOYSA-N 444.483 5.164 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OCC(=O)N[C@@H](C)c4ccccc4)c3C)C2=O)c1 2325019942 OTSPIHUPEFGZGH-IBGZPJMESA-N 427.500 5.176 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OCC(=O)Nc3ccc(C(C)C)cc3)c2C)C1=O 2325318796 GDGXQAYPEZVGOE-UHFFFAOYSA-N 441.527 6.061 30 10 IKEE O=C(C=Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 2325592914 NMSWHTJGGJKDEL-UHFFFAOYSA-N 426.299 5.793 30 10 IKEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(C(F)(F)F)cc1 2325631361 VTFNEGHINLVJJG-UHFFFAOYSA-N 445.297 6.087 30 10 IKEE CCCC(=O)Oc1cc(C=CC(=O)c2ccc(OC)cc2)c(Br)cc1OC 2325719010 IWILTXTWIDPODY-UHFFFAOYSA-N 433.298 5.068 30 10 IKEE CCCOc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccccc3OC)c2)cc1 2325723928 GABNUHWXGPOXLO-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1cccs1)C2=O)Nc1ccc(Cl)c(Cl)c1 2325733482 YXZZCZCNGDTJCD-UHFFFAOYSA-N 446.311 5.689 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2cccc(OC(=O)c3cc(Cl)ccc3Cl)c2)cc1 2325750719 YHOTYZQXJPKOBU-UHFFFAOYSA-N 439.338 7.232 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cccc(OC(=O)Cc2ccc(C)c(C)c2)c1 2325757453 FRZSGHVEUMHKSJ-UHFFFAOYSA-N 428.528 5.973 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cccc(OC(=O)Cc2ccc(F)cc2)c1 2325763330 QQSGFBBXKYAEAP-UHFFFAOYSA-N 438.882 5.840 30 10 IKEE C=CCN(CC=C)C(=O)Nc1ccc(OC(=O)C=Cc2ccc(Cl)cc2Cl)cc1 2325908149 QDMILMRZQLOFII-UHFFFAOYSA-N 431.319 5.818 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCC(=C)C)n1N=Cc1cccc(C)c1 2326460701 GIRXWLVKSMMQTA-UHFFFAOYSA-N 434.565 5.281 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2Cl)n1N=Cc1cc(C)ccc1O 2327956705 JGDVOPZOISYGNJ-UHFFFAOYSA-N 426.973 5.281 30 10 IKEE CCOc1c(C=Nn2c(CCc3ccc(Cl)cc3)nnc2SCC)cccc1OC 2328051456 MBMFAIDCECGPFI-UHFFFAOYSA-N 444.988 5.118 30 10 IKEE Cc1ccc(C=Nn2c(COc3ccc(C)c(C)c3)nnc2SCc2ccccc2)cc1 2328791873 DZHIPVADUQVRCW-UHFFFAOYSA-N 442.588 5.957 30 10 IKEE Fc1cccc(C=Nn2c(COCc3ccccc3)nnc2SCCc2ccccc2)c1 2329342813 IXNWOTKFZMUOIA-UHFFFAOYSA-N 446.551 5.351 30 10 IKEE C=CCSc1nnc(-c2ccccc2Cl)n1N=Cc1cccc(OC)c1OCCC 2329588337 SHFBEOGLZDLKLT-UHFFFAOYSA-N 442.972 5.556 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccc(F)cc2)cc1 2329941796 HXWIOGNAQORKKG-UHFFFAOYSA-N 434.515 5.630 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)Cc1ccccc1F 2330701183 POYPMQXHWGSROX-UHFFFAOYSA-N 444.502 5.757 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(Cl)c2)c1 2330778258 LBFCHAUOEMOAPK-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1 2330824565 NCKPXKFGTTZKRI-UHFFFAOYSA-N 444.527 6.162 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(C=CC(=O)c3cccc(Br)c3)cc2)c1 2330994021 IOXPSPFZIZHVFN-UHFFFAOYSA-N 449.344 6.110 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)cc1 2331051749 IPLVHMKDNYWGLK-YADHBBJMSA-N 432.903 5.954 30 10 IKEE C(=Nn1c(SCCc2ccccc2)nnc1C1CCCC1)c1cccc2ccccc12 2331086562 MAVLUVVRWCWBSS-UHFFFAOYSA-N 426.589 6.306 30 10 IKEE O=C(Cc1cccs1)Oc1ccc(C=CC(=O)c2ccccc2)cc1Br 2331167856 GGCSUEPXQYCVSY-UHFFFAOYSA-N 427.319 5.555 30 10 IKEE Cc1cc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)c(Cl)c3)cc2)ccc1F 2331238608 CPQNASARGJNBQG-UHFFFAOYSA-N 443.301 6.485 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C(F)(F)F)cc3)c(Cl)c2)cc1 2331266089 XJRPXJWYAUDCDN-UHFFFAOYSA-N 444.836 6.783 30 10 IKEE CCCCCCOc1ccc(C=Nn2c(SCCC)nnc2C(C)(C)C)cc1OC 2331402204 ZHKQDWJINAVHRU-UHFFFAOYSA-N 432.634 5.928 30 10 IKEE CC(C)(C)c1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(F)cc1F 2331417389 LWMNOVAPGMEVFE-UHFFFAOYSA-N 438.906 5.821 30 10 IKEE Fc1cccc(CSc2nnc(C3CCC3)n2N=Cc2c(Cl)cccc2Cl)c1 2331501200 VWADFQFOHAWGIL-UHFFFAOYSA-N 435.355 6.166 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)CC1CCCCC1 2331553015 DZOCXAGMJDFPQU-UHFFFAOYSA-N 448.893 6.399 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)c1ccc(F)c(F)c1 2331554999 DSZNVCFHKYVRFV-UHFFFAOYSA-N 433.237 6.387 30 10 IKEE CC(C)(C)c1ccc(C=CC(=O)Nc2c(C#N)nnn2-c2ccc(Cl)c(Cl)c2)cc1 2332189018 WHMIXCONJATGKX-UHFFFAOYSA-N 440.334 5.395 30 10 IKEE N#CC[C@H](Sc1cc(I)ccc1Br)c1ccccc1 2338404239 PZIZDGFLDNEXNN-AWEZNQCLSA-N 444.135 5.801 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(C)cc(Br)c1OC 2365226528 VTHIEOLMJORXOG-ROUUACIJSA-N 441.410 5.276 30 10 IKEE C=C(C)CN1C(=O)[C@H](C)Oc2ccc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)cc21 12082149 DRFVRXUWRYRMFX-KVEVGEHQSA-N 431.319 5.335 30 10 IKEE C=CCOC(=O)C(Cc1ccc2c3cccc4cccc(c5cccc1c52)c43)C(=O)OCC=C 15772161 IPPQMPMZDFTCGT-UHFFFAOYSA-N 448.518 6.354 30 10 IKEE CSc1ccc([C@@H]2[C@H](C(=O)C(C)(C)C)N3C=Cc4ccccc4[C@@H]3C2(C#N)C#N)cc1 16037489 LHQXQIFPZWYZJA-DNVJHFABSA-N 427.573 5.551 30 10 IKEE COc1ccc(COc2ccc(/C=N/Nc3nc(SCc4ccc(C)cc4)n[nH]3)o2)cc1 20424643 NKBCKFSNDZBPQV-ZMOGYAJESA-N 449.536 5.032 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(C)c2)cc1 21218323 OANCJXDRCBTSQF-KPURRNSFSA-N 438.571 6.763 30 10 IKEE O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@@H](c1ccccc1[N+](=O)[O-])Nc1ccccc1N2 21254734 FQQJTOGKYRPJBR-IVCQMTBJSA-N 429.451 5.713 30 10 IKEE CCc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 21255416 OLGULQAUNUFOEN-NFQMXDRXSA-N 439.515 6.137 30 10 IKEE O=C1/C(=C/c2c(Cl)cccc2Cl)Oc2cc(OCc3ccc(Cl)cc3)ccc21 38320969 UQYFADXVKRPAGY-NHDPSOOVSA-N 431.702 6.842 30 10 IKEE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)/C(=N/Nc2ccc(F)cc2)CCC3)c1 40823803 MJQCNJVKJFFVQP-MTDXEUNCSA-N 437.471 5.149 30 10 IKEE Cc1ccc(C)c(COc2ccc3c(c2C)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)c1 41433537 MQXJVSIWCWGKIJ-QQXSKIMKSA-N 426.556 7.105 30 10 IKEE CCOC(=O)c1sc(/N=C/c2ccccc2OCc2ccccc2)c(C(=O)OC)c1C 59461204 UBNOJEJXISFXFY-AFUMVMLFSA-N 437.517 5.349 30 10 IKEE Oc1c(Cl)cccc1/C=N/c1cc(C(F)(F)F)ccc1N1CCc2ccccc2C1 59463176 MGKYVXJPLLDNKC-XODNFHPESA-N 430.857 6.378 30 10 IKEE C=CCn1c(SCCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccc(F)cc1 59795773 WWYNOYAKPIDJRC-UHFFFAOYSA-N 430.936 5.353 30 10 IKEE CCN(CC)c1ccc(N/N=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 95117452 RMWZSBQMRHAPTC-VFCFBJKWSA-N 443.532 5.102 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2cccc(OCCOc3ccccc3)c2)cc1 100235297 DTZVGWRAOPFFKJ-UHFFFAOYSA-N 447.575 6.746 30 10 IKEE CCOc1cccc(NC(=O)[C@@H]2CC(=O)N(CC)/C(=N/c3ccc(C)c(Cl)c3)S2)c1 100248674 TVSZUVDMWGNMQN-NWIBBQCFSA-N 445.972 5.027 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)S/C1=N/c1ccccn1 101123874 DOHOYRWNPYJWGG-ZXMQTSGQSA-N 440.868 5.137 30 10 IKEE CCCCCCCCCCCn1c([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc2ccccc21 101323445 LHKKARLCVHRCNX-QFIPXVFZSA-N 449.614 7.227 30 10 IKEE O=C(O)C/C(=N/Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1Oc1ccccc1 104998542 UVCWEBYBJAWYSB-QJOMJCCJSA-N 425.828 5.331 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OCC(=O)Nc1ccccc1C 164197304 QKEHRDIAUGMBHE-OQLLNIDSSA-N 445.515 5.316 30 10 IKEE CCOc1cc(/C=N\Nc2nc(CC)c(C(=O)OC)s2)cc(Cl)c1OCC(C)C 169941402 LOUOCRNOEDOBDE-YVNNLAQVSA-N 439.965 5.025 30 10 IKEE COc1cc(/C=N\Nc2nc(-c3ccc(C)cc3)cs2)ccc1OCc1ccccc1 169942737 NRDZMCPAUOOMIA-YSMPRRRNSA-N 429.545 6.152 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc(F)c(C)c2)=C(O)C(=O)N1c1ccc(C)c(C)c1 169943231 ONQNCAVHMDSYLA-DEOSSOPVSA-N 445.490 5.542 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccc2OC)cc1C 169946326 QVMOODRKKULUQT-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccccn2)cc1 169992227 ACEJLGSPUOGQSC-QFIPXVFZSA-N 446.934 5.815 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccccn2)cc1Cl 169996432 QFSGEEBXMRHODS-FQEVSTJZSA-N 439.298 5.480 30 10 IKEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccccc2)cc1 170055604 YMXJYRSEXACMBB-QHCPKHFHSA-N 447.918 5.517 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccco1 170093762 RZGMEMALPKQOOU-IBGZPJMESA-N 443.377 5.090 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1C1CCCC1 170125932 NURRRGFIHWIVEO-HSZRJFAPSA-N 435.520 5.003 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(C)c2)c(OCC)c1 170148514 CUJMUOQFXHCCNI-DEOSSOPVSA-N 449.547 5.313 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccncc1)c1ccc2c(c1)CCCC2 170204067 OZWYWGYTIFUFCY-QHCPKHFHSA-N 444.918 5.397 30 10 IKEE COCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc2ccccc12 170220495 YRCXLOJSGMQKSP-VWLOTQADSA-N 437.495 5.218 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1C 170235285 XXZFCVHLSCJLMB-QHCPKHFHSA-N 447.918 5.830 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1F)c1cccc2ccccc12 170251618 ROBASDXKQALLOB-XMMPIXPASA-N 429.491 5.890 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc(O)c2)c1 170261755 WWRSBCTZYGFUQX-XMMPIXPASA-N 449.547 5.338 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cc(OC)ccc3OC)=C(O)C(=O)N2C2CCCCC2)cc1 170266529 XRAGZCZTALOECX-DEOSSOPVSA-N 449.547 5.177 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@@H]1c1ccc(CC)cc1 170268129 NYYMHRXMNAKRQE-QFIPXVFZSA-N 441.955 5.680 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)=C(O)C(=O)N1Cc1cccs1 170270008 OJIOHFOWSXGQCO-WAIKUNEKSA-N 445.540 5.158 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2C)c1 170275468 KJMZRMZZPYGEFS-QFIPXVFZSA-N 439.939 5.568 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)C)cc2)[C@@H]1c1ccco1 170281174 AUWYNNRAVLYMGE-JOCHJYFZSA-N 435.451 5.334 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@@H]2c2ccco2)cc1C 170288772 MFLBZMDGXOFEPG-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2ccc(Cl)cc2)o1 170303270 XHJNIBMHRZJCLJ-PEBXRYMYSA-N 449.890 5.348 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1c1ccc(F)cc1 170313912 RFVUCTMHWMWLQB-SFHVURJKSA-N 427.884 5.632 30 10 IKEE COc1cc(C=Nc2ccc(C(C)=O)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 252643552 ZVVHEEOKUZGKEE-UHFFFAOYSA-N 435.392 5.257 30 10 IKEE COc1ccc(C=Nn2cc(-c3ccccc3)nc2SCC(=O)c2ccccc2)cc1 254798944 XCHLBJBOPATIPE-UHFFFAOYSA-N 427.529 5.416 30 10 IKEE CCCC(C#N)(CCC)C(=O)Nc1ccc(I)c(Br)c1 383553232 UBYPFFYUQCELKN-UHFFFAOYSA-N 449.130 5.102 30 10 IKEE CCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccc(OCC(C)C)cc1 526811906 VIGXZNQLSXLPRQ-CFRMEGHHSA-N 428.989 5.703 30 10 IKEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1ccccc1C(F)(F)F 526814100 FVUVCOGRUHAQPS-OPVMPGTRSA-N 445.297 6.087 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1ccccc1OCC 526814831 USVZOEJRTOMJCJ-CFRMEGHHSA-N 449.407 6.111 30 10 IKEE Cc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)c(Cl)c1 698406728 RGUYLJRTIPIDCB-SFHVURJKSA-N 435.749 6.417 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2ccc(Br)cc2Cl)cc1 698852690 RRRBPWKJFINLOY-SFHVURJKSA-N 435.749 6.417 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)CC1(C)C 698878352 YLSGUBIWSFYFDW-RUZDIDTESA-N 449.636 6.018 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1scnc1Cl 713492044 IXJINWCETRTGRN-GFCCVEGCSA-N 428.739 5.565 30 10 IKEE C=CCC1(C(=O)Cc2cc(Cl)ccc2Br)CN(C(=O)OC(C)(C)C)C1 722949984 KLKGMOJZVIODGW-UHFFFAOYSA-N 428.754 5.027 30 10 IKEE C=C1CCC(C[C@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)CC1 724570002 NIRAQBFHXZULLL-ZODMCCGTSA-N 444.660 5.990 30 10 IKEE Cc1cccc(C)c1NC(=S)/C(=C(/O)c1ccc(C#N)cc1)[n+]1cc(O)cc(Cl)c1 762440368 XLEVCMVGOHSPJF-UHFFFAOYSA-O 436.944 5.145 30 10 IKEE CCOC(=O)c1ccc(N=Cc2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1 1084271720 BGTFTNLKLNVFBW-UHFFFAOYSA-N 436.895 5.285 30 10 IKEE O=[N+]([O-])c1ccc(CSc2n[nH]c(NN=Cc3cccc(Oc4ccccc4)c3)n2)cc1 1084409379 YHDOENIVKADUFX-UHFFFAOYSA-N 446.492 5.244 30 10 IKEE COc1ccccc1C/N=C(/Nc1cc(-c2ccccc2)ccc1O)N1C[C@H](C)C[C@@H](C)C1 1088684503 ZZAWXQOSWPQKPE-NHCUHLMSSA-N 443.591 6.014 30 10 IKEE C=CC[C@@H]1CCCC[C@H]1NC(=O)CCSCc1nc(O)c2c3c(sc2n1)CCCC3 1557474568 GSXMPMMENHSPIC-NVXWUHKLSA-N 445.654 5.150 30 10 IKEE CCN1C(=O)/C(=C\c2c(Cl)cccc2Cl)S/C1=N/c1ccc(O)cc1C(=O)O 1614234356 KWERLCNBZABFJP-FJQPQQQZSA-N 437.304 5.021 30 10 IKEE C/C(C=NN=C1S/C(=C/c2ccccc2O)C(=O)N1Cc1ccco1)=C\c1ccccc1 1772758843 FUFQHHQTFBJBSE-BPTPUJEQSA-N 443.528 5.547 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)Cc2ccc(Cl)cc2Cl)nc2ccccc12 1859657053 OZLCGRJMSZABKN-UHFFFAOYSA-N 436.302 5.089 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2Cl)=C(O)C(=O)N1C1CCCCC1 1862379732 JGURTHUCGLAMIW-OAQYLSRUSA-N 444.358 6.213 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccccc2C)cc1C 1862401120 UPTDPCWNHCEMFJ-DEOSSOPVSA-N 427.500 5.091 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862413289 ZEQOPVMYLIMPRT-QHCPKHFHSA-N 433.454 5.360 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1 1862444022 WGNNUTZEGPRIGC-XWRIVVANSA-N 427.903 5.636 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1Cl 1862476611 MDZUAMIQGMJWCV-XXBNENTESA-N 439.983 6.586 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cccc2ccccc12 1862504885 FNHNYEYBHBTDIA-XMMPIXPASA-N 447.506 5.292 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1cccc(O)c1 1862514315 HNAQWLBTNBUTOW-QHCPKHFHSA-N 437.536 5.340 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(C)cc1 1862523248 CQUVMRLKDTYLIF-AUUYWEPGSA-N 428.326 5.134 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc2cc[nH]c2c1 1862584394 XTKIKKHABLMPHJ-IBGZPJMESA-N 429.303 5.461 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2ccc(C)cc2)cc1 1862687519 MAQOPQWKIUMOKO-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(Cl)cc2)C1=O 1862790704 BESUUGCQOGRVMK-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(OC)cc2)=C(c2ccc(Cl)cc2)C1=O 1863166576 USPYVEBTGNDSAY-UHFFFAOYSA-N 440.971 5.901 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(Nc2ccccc2C#N)=C(c2c[nH]c3ccccc23)C1=O 1863501290 AJLINCUZWFOSIA-LJQANCHMSA-N 440.547 5.590 30 10 IKEE C=CCN(CC=C)c1cc(N(Cc2ccccc2)Cc2ccccc2)nc(-c2ccccc2)n1 1867972716 SDDDKVQJCLTVCZ-UHFFFAOYSA-N 446.598 6.529 30 10 IKEE C[C@H]1Cc2ccccc2N(c2cc(Nc3ccc(C#N)cc3)nc(Cc3ccccc3)n2)C1 1868219701 HXYSJUATHZBFRF-FQEVSTJZSA-N 431.543 6.013 30 10 IKEE C[C@@H]1COCCN1c1cc(Nc2ccc(C#N)cc2)nc(-c2ccc(C(C)(C)C)cc2)n1 1868552617 IRYWTOJRGFIAQJ-GOSISDBHSA-N 427.552 5.281 30 10 IKEE COc1ccc2c(c1)C[C@H](C)CN2c1cc(Nc2ccccc2C#N)nc(-c2cccnc2)n1 1868572932 VVDUMMNYZJWVIQ-SFHVURJKSA-N 448.530 5.493 30 10 IKEE C#CCOc1cn(CCc2ccc(F)cc2)c(CN(CCCC)CCCCCC)cc1=O 1870560180 KMFNNOMCTHROFH-UHFFFAOYSA-N 440.603 5.425 30 10 IKEE C=CCOc1cn(C[C@H](c2ccccc2)N2CCCC2)c(CNc2ccc(F)cc2)cc1=O 1870811895 JLOUSVXZHAAUNT-RUZDIDTESA-N 447.554 5.001 30 10 IKEE C=CCn1cc(OCCOc2ccc(Cl)cc2)c(=O)cc1CNc1cccc(Cl)c1 1870883212 PVFYDZHHBICIEB-UHFFFAOYSA-N 445.346 5.411 30 10 IKEE COc1cccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3cccc(Cl)c3)C4)C2=O)c1 1871355278 BFBLFHPEJYEGMH-KSEXSDGBSA-N 447.918 5.625 30 10 IKEE Cc1c(OC(=O)CCOc2ccccc2)ccc2c1O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871383644 LHMAEDDJHPMLBV-UQQQWYQISA-N 442.511 6.109 30 10 IKEE CCCOc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871388129 WEFYRKQOAWXCCL-UCQKPKSFSA-N 432.447 5.758 30 10 IKEE O=C1/C(=C/c2c(F)cccc2Cl)Oc2cc(OCCCCOc3ccccc3)ccc21 1871403038 BKSKFVOBTAQOEV-JLPGSUDCSA-N 438.882 6.333 30 10 IKEE CCOc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2cccs2)C3=O)cc1 1871408422 WKFBCVWQFNYYAP-VOMLJKFNSA-N 449.528 5.477 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(O[C@@H](C)C(=O)Nc3cc(Cl)ccc3C)ccc2C1=O 1871413275 CVCKHUPAILAPHL-VJUVOTIISA-N 447.918 5.979 30 10 IKEE CCCCCCCCCOc1cc(C)c2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 1871429659 NCKHCGFPNHACCK-HAHDFKILSA-N 447.402 8.047 30 10 IKEE CCCCCCCCN=c1nc(N(CCC)CCC)[nH]c(=Nc2ccc(F)c(F)c2)[nH]1 1871682209 AALIBEDXSMPNLX-UHFFFAOYSA-N 434.579 5.136 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1cc(C)ccc1C 1871762409 BJOXEKYXWLYHQN-QHCPKHFHSA-N 442.625 5.376 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)CCCC 1871789148 WEVRDWADPBSLCW-IBGZPJMESA-N 449.444 5.499 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(C)c(C)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1871911130 NXOZAQQKLPQXFJ-AOMKIAJQSA-N 449.016 5.187 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc2[nH]c(-c3ccc(N(CC)CC)cc3)nc2c1 1872739560 SYYXAYWESFDOJO-UHFFFAOYSA-N 448.655 6.947 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccc(Cl)cc3)n2)cc1 1872770188 MSVROXBLFYBVCC-FOIQADDNSA-N 440.952 5.896 30 10 IKEE CCOc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2cc(C(C)(C)C)ccc2C)cs1 1872784922 AEQHIDDPJIHYIN-FQEVSTJZSA-N 448.588 6.070 30 10 IKEE CCCCCCCCNC1=C(c2cc(F)cc(F)c2)C(=O)N(Cc2ccc(C)cc2)C1=O 1873113235 NRUJPLKDYSGKPK-UHFFFAOYSA-N 440.534 5.503 30 10 IKEE Sc1nnc(Cc2cccs2)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1873504774 LBZPLAGQTBYFKY-YDZHTSKRSA-N 440.981 5.334 30 10 IKEE CC(C)(C)C1CCC(CC(=O)Nc2ccccc2C#N)(N2Cc3ccccc3C2=O)CC1 1873868892 VRVKNOTWQXGWJW-UHFFFAOYSA-N 429.564 5.518 30 10 IKEE Cc1ccc(OCCCc2nnc(SCc3ccccc3F)n2/N=C/c2ccc[nH]2)cc1 1874252154 IWXAPDQXJIEBFD-JVWAILMASA-N 449.555 5.240 30 10 IKEE CCSc1nnc(COc2c(C)cccc2C)n1/N=C/c1c(OC)ccc2ccccc12 1874299487 CRBHSFYCAGKVMF-CVKSISIWSA-N 446.576 5.630 30 10 IKEE CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1cc(Br)ccc1F 1874339238 OEKBXJWPZISJMR-UFFVCSGVSA-N 439.741 5.028 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3F)n2/N=C/c2cccs2)cc1C 1874358693 VFDAXEWWMJIOJD-AFUMVMLFSA-N 436.581 5.861 30 10 IKEE Cc1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCCc2ccccc2)cc1 1874380966 UWXRBZZOTLZDEN-OVVQPSECSA-N 430.552 5.533 30 10 IKEE Clc1cccc(CSc2nnc(COc3ccccc3)n2/N=C/c2cccs2)c1 1874387061 UCOSPDNRHDMAOY-YDZHTSKRSA-N 440.981 5.747 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3Cl)n2/N=C/c2ccccn2)cc1 1874388978 FHUXXCKXVILASD-CVKSISIWSA-N 433.968 5.400 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2)n1/N=C/c1c[nH]c2ccccc12 1874395140 FCSSHOORVJGHEO-WKTMJKCCSA-N 437.572 6.086 30 10 IKEE Cc1ccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccc(O)cc2O)cc1 1874405447 YCKQSTBZRAXYKN-MFKUBSTISA-N 436.581 5.295 30 10 IKEE C=C(C)CSc1nnc(CC2CCCCC2)n1/N=C/c1ccc(OCC)c(OC)c1 1874407556 DFODGJOSVOCYLP-BUVRLJJBSA-N 428.602 5.359 30 10 IKEE Cc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SCC(=O)Nc2ccccc2C)c1 1874437685 NWYWPFCZXRHGJM-MFKUBSTISA-N 435.597 5.097 30 10 IKEE Cc1ccccc1CSc1nnc(C(F)(F)F)n1/N=C/c1cn(C)c2ccccc12 1874458265 DSOJQVGPARBMMY-OPEKNORGSA-N 429.471 5.272 30 10 IKEE Cn1cc(/C=N/n2c(SCc3ccccc3Cl)nnc2C(F)(F)F)c2ccccc21 1874461397 LJZZCHWZPKBPLI-KIBLKLHPSA-N 449.889 5.617 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2-c2ccco2)cc1 1874468266 AHDDVGCLRDKTEF-ZVHZXABRSA-N 438.940 5.765 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1/N=C/c1ccccc1OC(C)C 1874476373 MGGZDKLPEMPNFK-MFKUBSTISA-N 426.561 5.722 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(OC)c(O)c1 1874480540 AXSKAFKJINXOOC-WYMPLXKRSA-N 448.951 5.302 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(CCCC)nnc2SCC(=O)OCCC)cc1 1874481274 VUJSCPNVZZCGRQ-JJIBRWJFSA-N 446.617 5.117 30 10 IKEE CC(C)(C)c1nnc(SCCc2ccccc2)n1/N=C/c1cccc(Br)c1 1874484354 RHPSYPIVXQZWLW-HZHRSRAPSA-N 443.414 5.555 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2C2CCC2)cc1OC 1874494446 MLVPSRVMNJXUIE-AFUMVMLFSA-N 440.544 5.267 30 10 IKEE CCOc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2C(C)C)cc1OCC 1874514272 PZENLVVTCNBBHC-KOEQRZSOSA-N 438.597 5.416 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2cccc3ccccc23)cc1 1874518105 BIIMOJNZMUKVTL-CVKSISIWSA-N 441.560 5.230 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/n2c(S)nnc2CCCC)cc1OC 1874559372 NLCHAIYLHGRYTI-HKOYGPOVSA-N 432.634 5.930 30 10 IKEE C=C(C)COc1c(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(Br)cc1OC 1874587120 WGNVLOXIDNGRGP-CMDGGOBGSA-N 443.381 6.542 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OCC(=O)Nc1ccc(C)cc1C 1874598951 NWGMHGVOSZEBLT-XYOKQWHBSA-N 443.543 5.842 30 10 IKEE CCOc1c(OC)ccc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)c1Br 1874600472 OKMRWROMWKCYKS-SOFGYWHQSA-N 439.733 5.723 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1)Nc1ccccc1 1874606156 ZECJAHYRSFTDQX-MDWZMJQESA-N 426.299 5.907 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1Cl)NC1CCCCC1 1874608766 GKVKKCGCCQVSQV-ZRDIBKRKSA-N 432.347 5.717 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cccc(C)c3C)c(OC)c2)cc1 1874609610 ALDULIDIVWRLMD-RIYZIHGNSA-N 445.515 5.234 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1Cl)NCc1ccco1 1874613154 FSYDDCYUJIMRJC-YCRREMRBSA-N 430.287 5.178 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccc(C)cc1 1874615012 BUEMPNHXDOIMGU-SFQUDFHCSA-N 442.555 6.606 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1F 1874616070 IRTIUGHRIXSBJB-UXBLZVDNSA-N 431.290 6.616 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OCc1cccc2ccccc12 1874621579 JWLNXJYBGFEARV-FMIVXFBMSA-N 438.479 6.052 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(OC)c1OCC(=O)OCC(C)C 1874624319 XJUVEAKJTNQDQK-KPKJPENVSA-N 440.536 5.301 30 10 IKEE C=C(C)COc1c(OC)cc(/C=C/C(=O)c2ccc(OCC)cc2OCC)cc1OC 1874632159 NVYQPVSZYPDKPR-FMIVXFBMSA-N 426.509 5.352 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(Cl)c(Cl)c3)c2)cc1C 1874696142 KNSIMFUSITUWSA-UXBLZVDNSA-N 441.310 6.426 30 10 IKEE CCCCC1CCC(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(OCC)cc3)c2)CC1 1874701262 JOMUBCHZEPHGGN-XDHOZWIPSA-N 434.576 6.883 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2cccc(OC(=O)CCCOc3ccccc3)c2)cc1 1874706278 YLIGVLKDKSHSRJ-XMHGGMMESA-N 442.555 6.645 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCc3ccccc3)c2)c(OCC)c1 1874714718 KNZAUXPVRRAOHD-GHRIWEEISA-N 444.527 5.918 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)ccc1OC(=O)c1ccc(C)cc1 1875099375 FMCSAELHRHSKAE-MDWZMJQESA-N 446.499 5.526 30 10 IKEE CCCCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccccc2OC)cc1OC 1875119530 ZNCICQNQBIMCQI-VAWYXSNFSA-N 447.325 5.458 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc([N+](=O)[O-])c1OC(=O)c1ccc(C)cc1 1875126844 DTRINJSERVYJJZ-SDNWHVSQSA-N 431.444 5.417 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)CCCCCC 1875139930 IMRQQFOWHOAYST-FOCLMDBBSA-N 434.576 6.812 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)[C@H](C)c1ccccc1 1875183429 ALWBQZDKIJJZIM-XSEIIIHRSA-N 442.555 6.616 30 10 IKEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)n[nH]2)c1C 1889729299 APSSEINTYSMHKD-UHFFFAOYSA-N 437.853 5.391 30 10 IKEE CC(C)(C)c1cc(C(=O)N2CCC(COc3ncccc3C#N)CC2)cc(C(C)(C)C)c1 1891178623 GHESAFJDZRZGKL-UHFFFAOYSA-N 433.596 5.479 30 10 IKEE C=CCC1(NCc2ccc(F)cc2Br)CCN(C(=O)OC(C)(C)C)CC1 1924541766 DCXJMKIEMHIVNU-UHFFFAOYSA-N 427.358 5.024 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](CC1CCCC1)NC(=O)OC(C)(C)C 1926576275 ZZVDBZZUCNYHLX-ZEQRLZLVSA-N 430.633 5.601 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2)NCC 2006451440 UHRXJYQYVFRBIK-VJBWXMMDSA-N 428.617 5.211 30 10 IKEE C=CCN(CC[C@H](NCC)c1c(Cl)cccc1Br)C(=O)OC(C)(C)C 2037962856 NMAVVYGPNVNCIS-INIZCTEOSA-N 431.802 5.566 30 10 IKEE CC(=O)N(c1nc(C=CC(=O)c2ccccc2C(F)(F)F)cs1)c1cccc(C)c1C 2040483968 PCDXDIXRGJAOJW-UHFFFAOYSA-N 444.478 6.359 30 10 IKEE CC[C@@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)CN1C(=O)OC(C)(C)C 2040669698 CAQYENAIBXXQES-OSPHWJPCSA-N 447.551 5.639 30 10 IKEE C[C@@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)[C@@H](OCc2ccccc2)C1 2043773937 LZWBIKLKGBMLLM-BLFHIAQRSA-N 438.543 6.235 30 10 IKEE C[C@@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)[C@@H](OCc2ccccc2)C1 2043777247 UWPCEBXGVXJFMS-FRPAHBMMSA-N 438.543 6.235 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Br)c(Cl)c1F 2060548128 ZYZHJXFKIZYFSB-GFCCVEGCSA-N 435.721 5.040 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@@H]2C2CC2)cc1 2067979880 MHAPHWQYEMHKMM-CJFMBICVSA-N 441.572 5.418 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCN(C(=O)OC(C)(C)C)C12CC2 2070829392 KORAQKZFFRBKRC-RUZDIDTESA-N 441.572 5.562 30 10 IKEE C=CCN(CC=C)[C@H](CN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071265346 RLLIVFCOELPLFC-AREMUKBSSA-N 428.576 5.518 30 10 IKEE CCc1ccc([C@@H](n2nc(C(C)C)c(C#N)c2I)C2(C)CC2)cc1 2079042079 DJLWHDRQZVZJEU-GOSISDBHSA-N 433.337 5.435 30 10 IKEE CCOc1ccc([C@H](C2CCC2)n2nc(C3(C)CC3)c(C=NO)c2Br)cc1 2080104697 HEPBDGGITIBQKF-SFHVURJKSA-N 432.362 5.293 30 10 IKEE CC(C)(C)OC(=O)N[C@H](CCNc1ccc(C#N)c(Br)c1)c1ccccc1 2162414468 KFERALSJFDKNIX-LJQANCHMSA-N 430.346 5.389 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1c1cc(Br)cc(C#N)c1 2174811841 CYTSSMIGLQKCKV-RTBURBONSA-N 434.378 5.079 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](Cc2cc(Br)ccc2C)NCCC)C1 2197748194 JSHODDZZYQICQI-LJQANCHMSA-N 437.422 5.282 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)cc1CC 2229252560 SAGNQQIHKFGBBJ-MOPGFXCFSA-N 425.411 5.522 30 10 IKEE Cc1c(NC(=O)OC(C)(C)C)cccc1NC(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1 2255793108 SCWQEWABIPHJHE-UHFFFAOYSA-N 430.354 5.297 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](Nc2cccc(Br)c2C#N)C[C@@H]1C(F)(F)F 2279229009 UJZMNGNXKCWOIP-XHDPSFHLSA-N 448.283 5.063 30 10 IKEE O=C1NC(=Nc2cccc(C(F)(F)F)c2)SC1=Cc1cccc(OC2CCCC2)c1 2295499517 YFKHYGLIMXDITI-UHFFFAOYSA-N 432.467 5.918 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@](C)(NC(=O)OC(C)(C)C)C(C)(C)C 2296292068 UNJGJSWYIUNRLT-GCJKJVERSA-N 437.422 5.108 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(OC(=O)c4cccs4)c3C)C2=O)c2ccccc21 2296602967 XEGLHOMLADYVKA-UHFFFAOYSA-N 429.497 5.867 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)C(=C(O)c4cccs4)[C@H]3c3ccco3)sc2c1 2296774276 FOQLOESFQAVPSU-GOSISDBHSA-N 436.514 5.140 30 10 IKEE O=C(Nc1ccc(N=CC=Cc2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1Cl 2297456451 RKVOIYPIDGWDSG-UHFFFAOYSA-N 429.734 7.315 30 10 IKEE O=C1NC(=Nc2ccccc2)SC1=Cc1ccc(-c2ccc([N+](=O)[O-])c(Cl)c2)o1 2297550334 KMVLDKQZXPNHKT-UHFFFAOYSA-N 425.853 5.400 30 10 IKEE O=C1C(=Cc2c(Cl)cccc2Cl)Oc2cc(OCc3cccc(Cl)c3)ccc21 2314438602 YQTPJGAXHXAMIN-UHFFFAOYSA-N 431.702 6.842 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(O)c(OC)c2)SC1=Nc1nc(-c2ccccc2)cs1 2314543711 KYDVCOVOCUWOMB-UHFFFAOYSA-N 449.557 5.314 30 10 IKEE O=C1C(=Cc2ccco2)SC(=Nc2nc(-c3ccccc3)cs2)N1C1CCCCC1 2314544314 YOOWHYVBFVAEBC-UHFFFAOYSA-N 435.574 6.340 30 10 IKEE CC#CCN(C[C@@H](NCCC)c1cccc(OCc2ccccc2)c1)C(=O)OC(C)(C)C 2316105460 IAUNBKCSRIWQAW-RUZDIDTESA-N 436.596 5.567 30 10 IKEE Cc1cc(OCc2ccc(Cl)cc2Cl)cc2c1C(=O)C(=Cc1ccccc1F)O2 2321784414 MOASUWHMQBOTCZ-UHFFFAOYSA-N 429.274 6.636 30 10 IKEE CCOc1cc(C=Nn2c(S)nnc2CC(C)C)ccc1OCc1ccc(Cl)cc1 2321899012 SNDSEVSPEQJMHV-UHFFFAOYSA-N 444.988 5.279 30 10 IKEE CCOc1cc(C=Nn2c(S)nnc2C2CCCC2)ccc1OCc1ccccc1F 2321928078 WEWAVKAKNXKUQV-UHFFFAOYSA-N 440.544 5.223 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc([N+](=O)[O-])cc1)C3=O)CN([C@@H]1CCCC[C@H]1C)CO2 2322391882 ZUKXCNBBOYRBHU-QVKFZJNVSA-N 434.492 5.250 30 10 IKEE Cc1c(OC(=O)c2ccc(Cl)cc2)ccc2c1OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2322703692 LKOLAXGBBLLUTL-UHFFFAOYSA-N 446.930 6.781 30 10 IKEE COc1cccc2cc(C(=O)Oc3ccc4c(c3)OC(=Cc3ccc(Cl)cc3)C4=O)oc12 2322856980 WDTBLFKZPITSSZ-UHFFFAOYSA-N 446.842 5.930 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cc(Cl)ccc1OCc1ccccc1 2322926412 XSSWQTYGOSNOOP-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccccc2OCc2ccc(Cl)cc2Cl)c(C)c1 2322942047 XSZFAERAQXRMDB-UHFFFAOYSA-N 425.355 7.394 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cc(Cl)ccc2OCc2cccc3ccccc23)c(C)c1 2322949035 RSJHYWUDEPCAHM-UHFFFAOYSA-N 440.970 7.894 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OCC(=O)Nc1cc(C)cc(C)c1 2323153357 FCNSHBPTSVCSKW-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3cccc(C)c3)c2)c(C)c1C 2323248398 MPMCRRIIWSRVSK-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE CCN(Cc1ccccc1)c1ccc(C=Nn2c(S)nnc2Cc2ccc(F)cc2)cc1 2323540653 GHIAARZNRGUKQN-UHFFFAOYSA-N 445.567 5.205 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OCc3cc(C)ccc3C)c(OC)c2)cc1 2323627445 ZLPLKSCUEMHUDW-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE C=CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(C)c2)C3=O)c1 2323858310 FYXIFLIPXCYWAV-UHFFFAOYSA-N 426.468 5.704 30 10 IKEE C[C@H]1C[C@H](C)CN(Cc2c(O)ccc3c2OC(=Cc2ccccc2OC(F)F)C3=O)C1 2324055204 REBUDMNXPJYNKG-GJZGRUSLSA-N 429.463 5.088 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OCc3nc(O)c4ccccc4n3)cc2)cc1 2324055283 JFRYHIGDRAKDHX-UHFFFAOYSA-N 438.527 6.108 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 2324154461 QCOJSHDJORATIH-UHFFFAOYSA-N 425.355 7.592 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OCc1ccc(F)cc1 2324154490 VXKHCUXCYINEIB-UHFFFAOYSA-N 438.926 7.086 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)OC(C)C)cc2c1C(=O)C(=Cc1ccc(-c3ccccc3)cc1)O2 2324305691 GZZAKNAYLOOLPG-IBGZPJMESA-N 442.511 5.997 30 10 IKEE CCCC[C@H](Oc1cc(C)c2c(c1)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O)C(=O)O 2324784621 MISANKWMBRTVOG-QHCPKHFHSA-N 442.511 6.300 30 10 IKEE CCCCCOc1ccc(C=C(C(=O)Nc2ccc(C#N)cc2)c2ccccc2)cc1OC 2325250798 SYKPPXSHGQVOKK-UHFFFAOYSA-N 440.543 6.315 30 10 IKEE COc1cccc(COc2ccc3c(c2C)OC(=Cc2ccc(-c4ccccc4)cc2)C3=O)c1 2325698988 JETXRAMCCDUIEP-UHFFFAOYSA-N 448.518 6.866 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OC(=O)c1c(OC)cccc1OC 2325735243 UISOCIYXGCDLHA-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4cc(C)ccc4C)cc(C)c3C2=O)cc1 2325740656 VAJZFQCMGVAUSB-UHFFFAOYSA-N 427.500 5.554 30 10 IKEE Cc1cc(C(=O)C=Cc2cccc(OC(=O)COc3ccc(Cl)c(C)c3)c2)ccc1F 2325741937 GDIAGDCDKVVMLA-UHFFFAOYSA-N 438.882 5.976 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2cccc(C=CC(=O)c3cccc4ccccc34)c2)c1 2325749906 SFVCBEVXNKLHFD-UHFFFAOYSA-N 438.479 5.972 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cccc(C)c3)c2)cc1Cl 2325767592 WXDKCWJCXPEBJJ-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cccc(F)c3)c2)cc1C 2325770446 IDXAJKKMTZDYRF-UHFFFAOYSA-N 434.463 5.575 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccncc1 2327716045 JWSFICAAXGTIQP-UHFFFAOYSA-N 449.583 5.900 30 10 IKEE C=C(C)CSc1nnc(COc2c(C)cccc2C)n1N=Cc1ccc(F)cc1F 2328557072 HVXUMJJFSZMSOL-UHFFFAOYSA-N 428.508 5.303 30 10 IKEE C=CCSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1ccc(OCCCC)cc1 2329436461 IEWOQWKFFPZGQC-UHFFFAOYSA-N 434.609 5.825 30 10 IKEE Cc1ccccc1CCc1nnc(SCCc2ccccc2)n1N=Cc1ccccc1F 2329489458 IDHOCRZBONZNIP-UHFFFAOYSA-N 444.579 5.728 30 10 IKEE Cc1ccc(C(=CC(=O)N[C@H](C(=O)Nc2cccc(C#N)c2)c2ccccc2)C2CC2)cc1C 2329603115 ZDBQQDXRSPYAKL-NDEPHWFRSA-N 449.554 5.465 30 10 IKEE CCCSc1nnc(Cc2ccc(C)cc2)n1N=Cc1ccc(Br)cc1 2330016057 OIUMHBFYQOLCQE-UHFFFAOYSA-N 429.387 5.324 30 10 IKEE Cc1cccc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccccc2Cl)c1 2330275678 WIDYSOAPVODHIC-UHFFFAOYSA-N 439.028 6.537 30 10 IKEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC(=O)c1ccccc1C 2330624928 BPOWFHMNUIPLCY-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc(C=CC(=O)c3ccc4ccccc4c3)cc2)c1 2330651780 VPQKHMKWWYOJFZ-UHFFFAOYSA-N 438.479 5.972 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc(Cl)c2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 2331029298 WROVPJWJQWGPAQ-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)Cc1ccc(F)c(C)c1 2331046954 JEDJOMYAZPIEKP-UHFFFAOYSA-N 449.434 5.095 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)c2ccc3cc(Cl)ccc3n2)cc1 2331051912 ZFVUFYPRNVECHN-UHFFFAOYSA-N 443.886 6.012 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)CC(C)(C)C 2331150140 SUHDLNSIMOAMTP-UHFFFAOYSA-N 435.347 6.630 30 10 IKEE COCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccc(Cl)c(Cl)c1 2331239993 DNCLQDOEJJXVKL-UHFFFAOYSA-N 435.380 5.257 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OCCC)cc2)cc(OC)c1OC(=O)C(C)(C)C 2331311178 ACXHOXKIINHRFV-UHFFFAOYSA-N 436.548 6.060 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)c1sccc1C 2331312293 DIAVPSSCQRZGBT-UHFFFAOYSA-N 440.948 6.451 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)c1cccc(F)c1 2331312778 YTIABXAQVABBPZ-UHFFFAOYSA-N 438.882 6.220 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2[N+](=O)[O-])cc1 2331322637 WHHJAXUOBVVSAD-UHFFFAOYSA-N 445.471 5.264 30 10 IKEE CC(C)Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccccc1Cl 2331443869 GVOQTGRDCLCAPQ-UHFFFAOYSA-N 429.933 5.213 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccccc3)c(Cl)c2)cc1F 2331454130 ZSZKEKDALMFAJQ-UHFFFAOYSA-N 440.854 5.368 30 10 IKEE COC(=O)c1ccc(C=Nn2c(CC(C)C)nnc2SCc2cccc(Cl)c2)cc1 2331470114 IWHJSGAKPFLTDB-UHFFFAOYSA-N 442.972 5.091 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCC3)n2N=Cc2ccc3c(c2)OCCO3)c1 2331523316 PXDVTEMIDOBITM-UHFFFAOYSA-N 434.565 5.108 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)COc3cccc(C)c3C)cc2)cc1C 2331835544 KULMMYXUPVFIOA-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)CCCSC)c(OC)c2)cc1C 2331857371 LVZPACKETXKQGN-UHFFFAOYSA-N 428.550 5.265 30 10 IKEE CCc1csc(C#C[C@@H](N)c2cc(Cl)c(NC(=O)OC(C)(C)C)c(Cl)c2)n1 2363980372 GMJWKDWVGPKUQZ-OAHLLOKOSA-N 426.369 5.411 30 10 IKEE C=CCC(CC=C)[C@H](NCCC)c1cc(Br)ccc1I 2364094368 CAAGAWQIFJECNF-KRWDZBQOSA-N 448.186 5.863 30 10 IKEE O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)O/C(=C/c1cccc(Br)c1)C2=O 2429421 NXHQZHWFMNLASK-CNVFKFROSA-N 447.284 5.684 30 10 IKEE COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(Cl)c2)c1 21244918 BRJPBJWJDBAXIO-HFJWLAOPSA-N 430.935 6.328 30 10 IKEE C=CCn1c(S[C@H](C)c2nc(C(C)C)no2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 27764973 SCPWHRLPRDEFRV-CHWSQXEVSA-N 430.599 5.129 30 10 IKEE Cc1cccc(/N=C2/S/C(=C\C=C\c3ccccc3[N+](=O)[O-])C(=O)N2c2ccccc2)n1 39863582 RYEXVQYMQXWBNB-CVNQXDSCSA-N 442.500 5.663 30 10 IKEE O=C1N/C(=N\N=C\c2ccc(-c3ccccc3)o2)S[C@H]1Cc1ccc(Cl)c(Cl)c1 39888094 OHKJIKWPKJBZIT-OGBFJMLUSA-N 444.343 5.418 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccc(C(C)C)cc1 40096094 OLUXTXRATKJXQD-BXKMTCNYSA-N 433.548 5.512 30 10 IKEE C=C(C)C(=O)N[C@@H](C)c1nc2ccccc2n1CCCCOc1ccc([C@@H](C)CC)cc1 40191230 XHEOVWTVWQYMFW-SFTDATJTSA-N 433.596 6.162 30 10 IKEE Cc1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2ccc(N(C)C)cc2)C4=O)cc1 41662999 UHLLAYSUVIZPDX-QFEZKATASA-N 426.516 5.029 30 10 IKEE CCOc1cc(/C=C2/S/C(=N/c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)ccc1O 100223259 NAPOFXOYNJXIQX-PHSRYYMBSA-N 444.556 6.216 30 10 IKEE CCCCCCCCCCc1ccc2c(=O)c(O)c(-c3ccc(O)c(O)c3O)oc2c1 100302249 VSVYQNBXCGCWTF-UHFFFAOYSA-N 426.509 5.966 30 10 IKEE COCCN1C(=O)/C(=C/c2ccc(Sc3ccccc3)o2)S/C1=N/c1ccccc1 101695326 JNZDVOKXDPDMSP-MCLTZNTQSA-N 436.558 5.681 30 10 IKEE O=C1/C(=C\c2ccccc2Br)Oc2cc(OC/C=C\c3ccccc3)ccc21 102727907 BVTITMCTPLJMCT-UICORMPRSA-N 433.301 6.158 30 10 IKEE Cc1ccc(CN2c3ccccc3C(=O)/C(=C/Nc3cc(C)cc(C)c3)S2(=O)=O)cc1 105285780 BMXKBYAZPFGLNT-IWIPYMOSSA-N 432.545 5.098 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)/C(=C\c1ccccc1)NC(C)=O 111236681 KJRPQCIYDJHIAJ-WNAAXNPUSA-N 428.661 6.761 30 10 IKEE CCc1ccc2c(c1)N/C(=C1/C=C(N/C=C3/C=C(Cc4ccccc4)C=CC3=O)C=CC1=O)O2 136539612 MKTJUIBYKPSXBS-WFOVDEDBSA-N 448.522 5.069 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2OC)c1 169940494 JATMQGVJPCTPCS-HSZRJFAPSA-N 447.462 5.016 30 10 IKEE CC(C)Oc1cccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccccc2)c1 169979865 JKHXCUWZZVHWKH-AREMUKBSSA-N 441.527 5.576 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2cccc(C)c2)cc1 170028098 NMFGRKOVQRYYMY-XMMPIXPASA-N 443.499 5.185 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2ccccc2)c1 170036157 NDVSXCKRCGWACR-XMMPIXPASA-N 438.483 5.350 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2ccc(F)cc2)cc1 170061689 NWODXUDOGQQBPR-XMMPIXPASA-N 429.491 5.788 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(C)cc2)=C(N(CC)Cc2ccccc2)C1=O 170077471 NWAYSYZQFCNUJV-UHFFFAOYSA-N 432.608 5.958 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@@H]1c1cccs1 170159908 AHJLHYBNUXSRLZ-NRFANRHFSA-N 449.528 5.165 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1cccnc1)c1ccc(Cl)cc1 170188949 AQOYYCFBSHDQOO-IBGZPJMESA-N 425.271 5.171 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2OC)[C@H]1c1ccc(Cl)cc1 170236665 XLGXBDGLMPJLMY-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@H]1c1c[nH]c2ccccc12 170255490 IYXBJJOBJOGPQG-HSZRJFAPSA-N 432.520 5.172 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1c1ccc(F)cc1 170271141 UHOVMWNCKRZJEU-HSZRJFAPSA-N 427.431 5.663 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccco1 170284172 ZYZHBRILDIWJRK-OAQYLSRUSA-N 432.863 5.506 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccco1 170284435 XPQZPONSPVWNTM-FPTDNZKUSA-N 449.890 5.348 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2OCC)[C@@H]1c1ccc(C)o1 170309897 HWMFPHSQAGUVFN-QFIPXVFZSA-N 441.524 5.154 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2ccc(F)cc2)o1 170311199 WAQIBYMLPHPRHU-JOCHJYFZSA-N 431.419 5.252 30 10 IKEE CCCCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2ccc(CC)cc2)cc1 170391803 QPHWDYWAQKFYGV-VWLOTQADSA-N 440.543 5.770 30 10 IKEE COc1cccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(OCC(C)C)cc2)c1 170430310 XSOQWHRLHJFWFA-XMMPIXPASA-N 437.536 5.245 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(Cc2ccc(C(=O)O)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 170468263 HFECZBZNRRHCKC-QHCPKHFHSA-N 449.547 5.193 30 10 IKEE c1ccc(N=C2S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=Nc2ccccc2)cc1 252629050 TXPDBMSODBCQAQ-UZKHZQDVSA-N 444.648 7.517 30 10 IKEE CO/N=C1/C[C@@H]2[C@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@@H]1/C(C)=N/OC 253537518 KLCZPBNZZJGNRW-DXDANGSTSA-N 432.605 5.212 30 10 IKEE N#Cc1c(NC(=O)CON=Cc2cccs2)oc(-c2ccccc2)c1-c1ccccc1 254439366 QLEUAUCXSXUIOE-UHFFFAOYSA-N 427.485 5.536 30 10 IKEE CCCCCCCCC(=O)Nc1ccc(I)cc1Br 311586293 WJFFZEFSSJPEES-UHFFFAOYSA-N 438.147 5.743 30 10 IKEE CCN[C@H](C#Cc1ccccc1)c1cc(NC(=O)OC(C)(C)C)ccc1Br 407671172 LAPDJJCBRPRFEX-HXUWFJFHSA-N 429.358 5.498 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526489084 PDMBRFFSECDDGG-XMMPIXPASA-N 426.491 6.052 30 10 IKEE CC(C)Oc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(F)ccc2F)cc1 526711214 ZEOGVIXGHHULNI-QHCPKHFHSA-N 449.453 5.535 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1/N=C\c1ccccc1OCCC 526803749 LCDIGULGFOINOX-XYGWBWBKSA-N 426.561 5.723 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1ccc(OC)c(OC(C)C)c1 526805565 OKQUMNHPVIIBMO-MYYYXRDXSA-N 438.597 5.509 30 10 IKEE Cc1ccc(C)c(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 586250074 VERGNWMKVYMYRB-UHFFFAOYSA-N 432.589 5.868 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@H](C#N)c1ccc(F)cc1Br 710749713 AJXNTKCQBMKAFF-GOSISDBHSA-N 425.342 6.113 30 10 IKEE c1ccc(CN(Cc2ccccc2)C2(C/N=C3/NC4(CCCCCC4)CS3)COC2)cc1 713213034 FBWVSBUFLXZNAG-UHFFFAOYSA-N 449.664 5.243 30 10 IKEE CN(c1ccccc1)c1ccc(/C=C/C(=O)c2ccc(C(F)(F)F)nc2O)cc1[N+](=O)[O-] 731564438 FFVFXZLWLWPGCW-DHZHZOJOSA-N 443.381 5.378 30 10 IKEE CC/N=C1\S/C(=C/c2c(OCc3cccc(C)c3)ccc3ccccc23)C(=O)N1CC 1083993881 PJYUYHKWGJNTLN-YCJCGMCGSA-N 430.573 6.039 30 10 IKEE CCOC(=O)[C@]1(C#N)C(=O)/C(=C/c2ccccc2Cl)SC1=Nc1ccccc1Cl 1088693679 TXAVTQDSSMPLNW-YACPUAFSSA-N 445.327 5.453 30 10 IKEE Cc1ccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)nn2-c2ccc([N+](=O)[O-])cc2)cc1C 1859395465 UPTGGJVFASRGPU-UHFFFAOYSA-N 437.459 5.188 30 10 IKEE N#Cc1ccccc1NC(=O)c1cc(-c2cccs2)n(Cc2c(F)cccc2Cl)n1 1859410726 WOCZFQHSOCTKRY-UHFFFAOYSA-N 436.899 5.576 30 10 IKEE CC[C@H](C)N(C(=O)c1ccc(F)c(F)c1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1859899473 PORPNGQLYMNGAX-VIFPVBQESA-N 443.309 6.587 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(C)cc1 1861101785 ZPYADQLSYFXIGT-DBVVVMIYSA-N 448.651 5.993 30 10 IKEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 1861219354 LCFKNQAFKCCJLM-XMMPIXPASA-N 443.676 5.050 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccccc2)cc1 1862387392 JDWHXPXBNNLXGD-RUZDIDTESA-N 443.518 5.947 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@@H](C)c2ccccc2)c1 1862413694 IXSVTAAJPQTVLC-NPMXOYFQSA-N 449.453 5.313 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2ccc(F)cc2)cc1 1862474233 LJZSIXOAPYFOQJ-XMMPIXPASA-N 429.491 5.529 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc(OCCC)c1 1862480055 WUIGIDPXCBOCRT-XMMPIXPASA-N 435.564 5.942 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCCC2)cc1 1862482324 MWHXPMZKKTUEHA-RUZDIDTESA-N 447.575 6.085 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccccc1C 1862490527 XSAZGFFKWAYIHQ-SQJMNOBHSA-N 433.592 6.549 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1cccc(OC)c1 1862530485 QYZJZWABUHOMQF-VWLOTQADSA-N 449.591 6.196 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2cccc(OC)c2)cc1 1862530812 YKPUYYPHNMIAJD-BSDZUQITSA-N 433.548 5.415 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C34CC5CC(CC(C5)C3)C4)[C@H]2c2ccccc2)cc1 1862534845 YAKOJPCQAHTQLN-KYRCVXBYSA-N 441.571 5.796 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(C(C)C)cc2)=C(O)C(=O)N1CCC1=CCCCC1 1862660535 NNUOMEDAMUBPRH-SANMLTNESA-N 443.587 6.587 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862674075 SCNXFJZZTKHLEI-XDHUDOTRSA-N 429.491 5.728 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2cccc(Cl)c2)cc1 1862689525 SNPKWQIOTWQJCW-QPJICYPMSA-N 439.939 5.506 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2cc(Cl)cc(Cl)c2)c1 1862706411 VYVBOXHVZPGXHK-LJQANCHMSA-N 434.319 5.236 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc2ccccc2c1 1862718380 ZEVRNQLACZGSEL-HSZRJFAPSA-N 442.471 5.269 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1c(F)cccc1Cl)c1ccc2ccccc2c1 1862718636 AXZYEJJVNBQOBL-QHCPKHFHSA-N 449.909 6.153 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2CC)cc1 1862726177 ADRVWCHQUMPQBZ-XMMPIXPASA-N 427.500 5.351 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1F 1862749478 ZESNEEHXKPAQOX-OYHNWAKOSA-N 446.434 5.073 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(Cl)c1 1862758950 IIEXHZURIOYGAD-BBATYDOGSA-N 449.290 5.278 30 10 IKEE COc1cccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3cccc4ccccc34)C2=O)c1 1862840326 HVAYAFGJBFLIBN-UHFFFAOYSA-N 445.478 5.117 30 10 IKEE COc1ccc(C#N)c(NC(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c1 1865906615 ZQENWMIYOBGUKO-WUXMJOGZSA-N 448.906 5.460 30 10 IKEE CCCCCCCCCCCC(=O)Nc1c(C(=O)OCC)cnn1-c1ccc(Cl)cc1 1865986094 NOLYILWIFDYROE-UHFFFAOYSA-N 448.007 6.562 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](NC(=O)C[C@@H](c1ccc(F)c(C)c1)C(C)C)c1ccccc1 1868713487 IIWXLXIINVMKFH-ZEQKJWHPSA-N 436.571 5.322 30 10 IKEE C=CCN(CC=C)c1cc(N2CCCc3ccc(N4CCCC4)cc32)nc(C(C)(C)C)n1 1869190093 SBTPXVGEGHYVHU-UHFFFAOYSA-N 431.628 5.637 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC[C@@H](C(=O)CCCc3ccccc3)C2)nc(CCC)n1 1869230249 GSGNQBGGJZHFTM-XMMPIXPASA-N 446.639 5.416 30 10 IKEE CCCCCCCCCCNC(=O)c1cn(-c2ccc(CCCC)cc2)c(=O)cc1O 1870133118 LCUUIQIRIJMCCS-UHFFFAOYSA-N 426.601 5.756 30 10 IKEE C=CCOc1cn(CC(C)C)c(CSc2nc3ccccc3n2-c2ccccc2)cc1=O 1870243924 PMZBSUSVEVFHLA-UHFFFAOYSA-N 445.588 5.700 30 10 IKEE C=CCOc1cn(CCCN(CC)CC)c(CN(CCCC)CCCCCC)cc1=O 1870385998 VUTDKHPFDXMBNH-UHFFFAOYSA-N 433.681 5.327 30 10 IKEE CCCCCCCOc1cn(CCN(C)C)c(CNc2ccc(C)c(Cl)c2)cc1=O 1870837921 FMMPZUNMDYOZRQ-UHFFFAOYSA-N 434.024 5.333 30 10 IKEE CCCCCCCCn1cc(OCCCCC)c(=O)cc1CNc1cc(C)ccc1C 1871130280 LBAJFRIJKPCVSQ-UHFFFAOYSA-N 426.645 7.007 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3nc5ccccc5[nH]3)CO4)C2=O)cc1 1871348965 LLZHRIXPFIUFIO-CFRMEGHHSA-N 437.499 5.094 30 10 IKEE CCCOc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(CC)cc2)C3=O)c1 1871387697 KDCRGGCHRLRKKY-MYYYXRDXSA-N 442.511 6.182 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OCCOc4ccccc4)c3C)C2=O)cc1OC 1871397477 STGQPCAMYSTWEF-JLPGSUDCSA-N 432.472 5.086 30 10 IKEE Cc1cccc(OCCCOc2cc(C)c3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)c1 1871405690 NCPJXXKBMYMUAG-FHCMCQOFSA-N 426.512 6.324 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccc(OC)cc4)ccc3C2=O)cc1 1871408470 VWGSBEAMSWPCBP-WZJLVRHISA-N 443.499 5.280 30 10 IKEE COC(=O)c1cccc(COc2ccc3c(c2C)O/C(=C\c2ccc(C(C)C)cc2)C3=O)c1 1871415981 FIJFJKQTKWJBHI-MYYYXRDXSA-N 442.511 6.100 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)c4ccc(NC(C)=O)cc4)ccc3C2=O)cc1 1871432346 FTLLBZONLWFWTD-WGARJPEWSA-N 441.483 5.085 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OCc4ccccc4C#N)c3C)C2=O)cc1OC 1871436890 ANZWSHWWDQIPCD-CFRMEGHHSA-N 427.456 5.079 30 10 IKEE CC(=O)c1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871448987 QHMAEKNLFXSVEP-QWUOEIFBSA-N 445.471 5.121 30 10 IKEE CC(C)=C1Oc2cc(OCC(=O)Nc3ccccc3Sc3ccccc3)cc(C)c2C1=O 1871450738 OMESAXGOVVOSRH-UHFFFAOYSA-N 445.540 6.033 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(C)c(C)c1)C(C)C)S(=O)(=O)c1c(C)cc(C)cc1C 1871885754 DBCJDIGRJANJFS-HSZRJFAPSA-N 442.625 5.069 30 10 IKEE C=C(C)CN([C@@H](CC)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1872237848 QLDLMHAVQLHCKB-NRFANRHFSA-N 449.016 5.249 30 10 IKEE N#C[C@H](C(=O)Cc1ccc(F)cc1F)c1nc(-c2ccc(Br)cc2)cs1 1872765046 FPJNOAYPHFZRHE-OAHLLOKOSA-N 433.277 5.270 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)[C@@H](C#N)c1nc(-c2ccc3c(c2)OCO3)cs1 1872772889 JELFNNWESXPWOI-LLVKDONJSA-N 447.299 5.344 30 10 IKEE COc1cccc(C(=O)[C@@H](C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)c1 1872778996 YXBHWLCCZJZQAO-OAHLLOKOSA-N 433.316 5.624 30 10 IKEE N#C[C@@H](C(=O)/C=C/c1ccc(F)cc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872779830 SHIWMBRUYALDBS-XAYULXIRSA-N 440.499 6.631 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3OC)cs2)cc1 1872783823 IQTGOFZTJSGIOT-BESKYLIDSA-N 434.517 5.116 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccc(OC(C)C)cc3)c(=O)oc2c1C 1873927722 SJUUDJQAYMNHKQ-UHFFFAOYSA-N 435.520 5.333 30 10 IKEE CSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1c[nH]c2ccccc12 1874215027 RSKNKLFFDQERRM-ZVHZXABRSA-N 425.945 5.029 30 10 IKEE C=CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1cccc(F)c1 1874218060 SJLINBIHPTUCHO-WYMPLXKRSA-N 430.936 5.427 30 10 IKEE Cc1ccc(/C=N/n2c(CCc3ccc(Cl)cc3)nnc2SCc2ccccc2)cc1 1874283430 HBVIPGGUQNONLF-WPWMEQJKSA-N 447.007 6.200 30 10 IKEE CCCSc1nnc(CCc2cccc(OC)c2)n1/N=C/c1c(Cl)cccc1Cl 1874310604 DXFSZJWSAHQDRM-ZVHZXABRSA-N 449.407 5.763 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2O)cc1C 1874330669 YRRSGMMJRVFVKZ-WPWMEQJKSA-N 442.588 5.560 30 10 IKEE Cc1ccc(CSc2nnc([C@H](C)c3ccccc3)n2/N=C/c2ccccc2F)cc1 1874392754 UAOIIEYRDYNCKG-BWJYWGHISA-N 430.552 6.052 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3ccccc3)nnc2[C@@H](C)c2ccccc2)c1 1874395476 NNVJIORBLBUJNJ-FGAYPWGZSA-N 442.588 6.003 30 10 IKEE CCCSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1ccc(OCC)c(OCC)c1 1874399257 KVPRVIDQBGPZJT-WLXKGNRNSA-N 438.597 5.612 30 10 IKEE Cc1ccc(CSc2nnc(CC(C)(C)C)n2/N=C/c2cn(C)c3ccccc23)cc1 1874436630 KCKVNTMKHMBHPA-CVKSISIWSA-N 431.609 5.841 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc3ccccc23)n1/N=C/c1cccc(O)c1 1874440272 RPDFCAWCFYGMGQ-WGOQTCKBSA-N 430.577 5.900 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2C(F)(F)F)cc1 1874460887 LGOYSZMZAPLWFN-VULFUBBASA-N 447.530 5.626 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccccc2CC)n1/N=C/c1sccc1C 1874476245 HDHANJHJEBRNQJ-OEAKJJBVSA-N 441.626 5.166 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1cccc(OCC)c1 1874479551 GOAVZOORCDJFTG-BUVRLJJBSA-N 428.989 5.847 30 10 IKEE COc1cc(/C=N/n2c(SC)nnc2C(C)C)ccc1OCc1ccc(Cl)cc1 1874509607 LNXQXACVDYYJST-FSJBWODESA-N 430.961 5.247 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2)nnc1C(C)C 1874515529 CXFXFVRXMNQRPZ-ZVHZXABRSA-N 426.973 5.794 30 10 IKEE CCCCc1nnc(S)n1/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 1874559330 KYXNPTAICPAAQV-CVKSISIWSA-N 434.540 5.663 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCCc2ccccc2)cc1C 1874573754 CWQNHWVEZDQOSQ-PKNBQFBNSA-N 436.935 6.183 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1)Nc1ccc(F)cc1 1874605826 IAWVCTWBIXFZAD-KGVSQERTSA-N 444.289 6.046 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OCc1cc(C)ccc1C 1874619458 BSECPTIDOXSGER-ZRDIBKRKSA-N 430.544 6.494 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OCc1nc(O)c2ccccc2n1 1874627723 SPUURFAZWXYORZ-UXBLZVDNSA-N 448.425 5.097 30 10 IKEE CCCOC(=O)COc1c(Cl)cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1OC 1874628530 IJGQZRGHHFSMAJ-CMDGGOBGSA-N 444.955 5.810 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(Br)c1OCC 1874629698 PHKVICMBBOPRJQ-MDZDMXLPSA-N 431.370 6.376 30 10 IKEE C=C(C)COc1c(Cl)cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc1OCC 1874634406 AHERXIJJVJPEHR-BQYQJAHWSA-N 435.347 6.560 30 10 IKEE C=C(C)COc1c(Br)cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OC 1874635747 XBSCXDCLNRBFSQ-BQYQJAHWSA-N 429.354 6.234 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1OC(=O)Cc1ccc(C)c(C)c1 1874704010 SMKLJTJLOHGVHS-PKNBQFBNSA-N 444.527 5.673 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2Cl)cc(OC)c1OC(=O)CCCSC 1875110456 LWDQOJOXDOXYFM-OUKQBFOZSA-N 444.980 6.022 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)COc1ccc(OC)cc1 1875137069 UQALVLXGERUYHZ-VIZOYTHASA-N 446.499 5.283 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1cnc(C)cn1 1875150234 CLNLTWPFQDZLLV-WUXMJOGZSA-N 430.504 5.206 30 10 IKEE CCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc1OC 1875160953 QZSIFBBWUNNNHJ-ZRDIBKRKSA-N 440.536 5.612 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(Cl)c3)cc2)cc1Cl 1875186747 ATSROLDWYRQQDG-YRNVUSSQSA-N 427.283 6.117 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)OC(C)(C)C 1922077281 MGHSOXROPOSWGT-LSBAASHUSA-N 428.617 5.067 30 10 IKEE C=CCN(C[C@H](NCCC)c1cc(C)cc(Br)c1F)C(=O)OC(C)(C)C 1926708967 HMNIAWRLFCSNPH-KRWDZBQOSA-N 429.374 5.360 30 10 IKEE CC(C)(C)OC(=O)NCC1CCC(C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)CC1 1942877903 KILRODCNMHRIEQ-UHFFFAOYSA-N 449.617 5.462 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1943910934 JCLDQPNMUQGART-MBSDFSHPSA-N 449.979 5.811 30 10 IKEE N#Cc1ccc([C@@H](CCC(=O)O)CNC(=O)OCC2c3ccccc3-c3ccccc32)s1 1951554580 CSGUQRBLDCOWRF-INIZCTEOSA-N 446.528 5.107 30 10 IKEE C=CCC[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCC)C(=O)O 1958048392 RQBXSFWQCDGFHQ-IGKIAQTJSA-N 435.564 6.141 30 10 IKEE C#CCN(CC(C)C)C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC 1984779072 OUMMZBHGBQLPQR-RXFWQSSRSA-N 446.591 5.058 30 10 IKEE CC1(C)CC[C@@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)[C@H](OCc2ccccc2)C1 1998841969 ZYVPZLWFQZTPTM-XXBNENTESA-N 427.549 5.592 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C)([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)C1 2022136278 GCPGAWRJBAVYLC-JPYJTQIMSA-N 433.524 5.106 30 10 IKEE C#CCCCCC(=O)Nc1cc(Br)c(Br)c(Br)c1 2034340954 DEDPTFUINRJRMW-UHFFFAOYSA-N 437.957 5.106 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CCC[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C 2052946690 XUTLEOYXOOHZJV-LIONHTAISA-N 442.644 5.553 30 10 IKEE CCCCOc1ccc(C=C2CN(CC)CC(=Cc3ccc(OCCCC)cc3)C2=O)cc1 2053613201 YLBPZFUDYOLCMF-UHFFFAOYSA-N 447.619 6.416 30 10 IKEE CC[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(OC)c1 2067965181 XNHWZXJRBPLAQE-CYFREDJKSA-N 445.560 5.118 30 10 IKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 2074137378 ADUUIEZKSDBQBP-CLOONOSVSA-N 449.636 6.018 30 10 IKEE Cc1ccc([C@@H](C2CCC2)n2nc(C3CC3)c(C#N)c2I)c(F)c1 2079060696 LGJZMUOMPMXCFH-GOSISDBHSA-N 435.284 5.074 30 10 IKEE C=CCC[C@H](C(=O)N[C@H]1CCCCN(C(=O)C2(CC=C)CCCCC2)C1)c1ccccc1 2080466183 ZUWGTHGTIYCMMG-DQEYMECFSA-N 436.640 5.760 30 10 IKEE Cc1nn(C(F)(F)F)c(I)c1-c1cc(F)ccc1C(F)(F)F 2080673658 PFJSBCQNJMUDGM-UHFFFAOYSA-N 438.084 5.097 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Br)c1C)NCC 2087424315 MZUBRRVEYWBABW-RBUKOAKNSA-N 425.411 5.138 30 10 IKEE CCCN[C@@]1(C#N)C[C@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)CCC1(C)C 2099190026 SKQAPSAKQHTKLW-XRKRLSELSA-N 446.683 5.461 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)C[C@H]2CCCC[C@@]2(C)C1 2154232081 JNJZTAFURVSZHY-URZJWIJPSA-N 433.390 6.443 30 10 IKEE C=C1C[C@@H]1C[C@H](NCCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2158690302 XAMHJFFNSAXSCM-YZGWKJHDSA-N 437.422 5.219 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(CNc3cc(Br)cc(F)c3C#N)CCC[C@@H]12 2163692774 QQNGJUOOBLFBAO-XLIONFOSSA-N 438.341 5.051 30 10 IKEE C#CCC1(NC(=O)c2ccc(Br)cc2NC(=O)OC(C)(C)C)CCCCC1 2180050049 AQXIKTARNMFHQF-UHFFFAOYSA-N 435.362 5.252 30 10 IKEE CN(c1ccc(C#N)cc1Br)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1 2197457557 DAGWGNODQWHINP-IBGZPJMESA-N 430.346 5.023 30 10 IKEE C#CC[C@H](C[C@H](NCC)c1ccc(Br)cc1I)C1CC1 2207273085 RLPMGIMEJCMDDF-DYVFJYSZSA-N 446.170 5.144 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)nn1C(C)C 2232458378 KNRPUOVWKSLEEU-CRAIPNDOSA-N 443.430 5.127 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)[C@H](O)C#Cc1ccccc1Br 2235731370 LTPGYOMTSDEMMR-VQTJNVASSA-N 436.390 5.025 30 10 IKEE CC#CCCC[C@H](NCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237428920 UTEVYYNAKUDYDQ-PMACEKPBSA-N 437.422 5.057 30 10 IKEE C=C(COCc1ccccc1)[C@](C)(OCCC(=O)O)c1ccc(OCc2ccccc2)cc1 2275806955 LJRQJTPLFOCRBQ-NDEPHWFRSA-N 446.543 5.745 30 10 IKEE C=C(C)CCCC[C@H](NC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2287381129 WBWZLDVCWUHXEN-VQTJNVASSA-N 439.438 5.609 30 10 IKEE CCOC(=O)C1=C(Nc2cccc3ccccc23)SC(=Cc2ccc(N(C)C)cc2)C1=O 2293606156 WRNXQTKBLFBTSF-UHFFFAOYSA-N 444.556 5.449 30 10 IKEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccccc2)cc1 2296102851 CULBWZKLZZUWJE-JOCHJYFZSA-N 440.524 5.539 30 10 IKEE CCOc1ccc([C@@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2c2cccc(Cl)c2)cc1 2296193979 YJEAIVDFNQKTTI-JOCHJYFZSA-N 433.891 5.365 30 10 IKEE CN[C@H](C#Cc1cccc(Br)c1)[C@H](C)CCC[C@H](C)NC(=O)OC(C)(C)C 2296216002 GOGFMKUNASAKHD-FUHIMQAGSA-N 437.422 5.108 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)c1csc(CNC(=O)OC(C)(C)C)c1 2296219020 KENCOEZNUALJBH-LJQANCHMSA-N 449.414 5.238 30 10 IKEE O=C(C=Cc1cccc([N+](=O)[O-])c1)c1c(O)nc2ccc(Cl)cc2c1-c1ccccc1 2297161558 BCXHNAPLPBHTEH-UHFFFAOYSA-N 430.847 6.065 30 10 IKEE O=C(C=CN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(-c2ccccc2)cc1 2297533050 NLVUVQWIHDMUQA-UHFFFAOYSA-N 436.477 5.891 30 10 IKEE C=CCC(C)(C)[C@@H](NN)c1sc(Br)c(Br)c1Br 2304050192 WBTVJXBRGUBMAI-VIFPVBQESA-N 447.034 5.142 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@@H]3C[C@H]2C[C@H]3NC(=O)OC(C)(C)C)c1 2308985882 QCDKBHLHDFTRFC-PSRXAIMNSA-N 441.572 5.322 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(Cl)c2Cl)C3=O)cc1 2314437502 NYPUZBWIPSKUFT-UHFFFAOYSA-N 425.267 6.137 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cccc(OCc2ccccc2)c1 2314455759 RKUMRRULOYVIBD-DQEYMECFSA-N 438.612 6.166 30 10 IKEE CSC1(C#C[C@@H](O)c2cc(NC(=O)OC(C)(C)C)ccc2Br)CCC1 2314651684 HVMJNDIVLQBPCH-MRXNPFEDSA-N 426.376 5.119 30 10 IKEE CCOc1cc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CC2)ccc1O 2320858335 JSXPJSMPWKRIOJ-UHFFFAOYSA-N 428.945 5.088 30 10 IKEE Cc1cc(OCc2ccc(F)cc2)cc2c1C(=O)C(=Cc1ccc(-c3ccccc3)cc1)O2 2321802175 LIZFLZZACVTPKV-UHFFFAOYSA-N 436.482 6.996 30 10 IKEE Cc1c(OCc2c(F)cccc2Cl)ccc2c1OC(=Cc1ccccc1Cl)C2=O 2321802416 UHCDTGAHNOPCDL-UHFFFAOYSA-N 429.274 6.636 30 10 IKEE CCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1ccc2cc[nH]c2c1 2321817115 HUFXYPZHXNHOCN-UHFFFAOYSA-N 431.609 6.184 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(S)n1N=Cc1cccc(OCc2ccc(Cl)cc2)c1 2321962051 DDAGOHACRAIATA-KRWDZBQOSA-N 448.979 5.833 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCCc3ccccc3)ccc3ccccc23)cc1OC 2322346987 NPPYRTXUJGEAFR-UHFFFAOYSA-N 438.523 6.375 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc4c(c1)OCO4)C3=O)CN([C@H]1CCCC[C@@H]1C)CO2 2322391651 LKHJUWMNFFEARM-YWZLYKJASA-N 433.504 5.071 30 10 IKEE Cc1ccc(C(=O)C=Cc2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1C 2322886651 UYISXKSRJGIPKY-UHFFFAOYSA-N 426.943 7.585 30 10 IKEE Fc1ccc(NN=Cc2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1 2322968945 AGZIRZBIKCYOJO-NDEPHWFRSA-N 434.518 6.627 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OC(=O)c4cccc([N+](=O)[O-])c4C)c3C)C2=O)cc1 2323260573 XBLZFSQMKBZZBS-UHFFFAOYSA-N 445.427 5.056 30 10 IKEE Cc1ccc(COc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2Br)cc1 2323790768 ISERNZZHTDEYBR-UHFFFAOYSA-N 441.752 6.886 30 10 IKEE CCOc1cc(C=NNc2nc(-c3ccc(OC)cc3OC)cs2)cc(Cl)c1OC 2323840226 BGNIAARNAKLZBT-UHFFFAOYSA-N 447.944 5.334 30 10 IKEE Cc1cc(O)c(CN2CCC(Cc3ccccc3)CC2)c2c1C(=O)C(=Cc1cccs1)O2 2324029930 YEAPVVXEUCXSME-UHFFFAOYSA-N 445.584 5.833 30 10 IKEE Cc1ccsc1C=C1Oc2c(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c(O)cc(C)c2C1=O 2324097876 KMMHPBBCNGPIOX-QUGAMOGWSA-N 437.605 6.087 30 10 IKEE C=C(C)COc1ccc(C=CC(=O)c2ccc(OCCCCCCC)cc2)cc1[N+](=O)[O-] 2324209920 MRGMPOGJKURUIK-UHFFFAOYSA-N 437.536 6.795 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OCc1ccc(Cl)cc1 2324257710 YVVHVIYDCLNUMU-UHFFFAOYSA-N 428.862 6.492 30 10 IKEE C=CCOc1c(Cl)cc(C=CC(=O)c2cc(OCC)ccc2OCC)cc1OCC 2324397380 KKFVSLDEUJLGEX-UHFFFAOYSA-N 430.928 5.997 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OCC(=O)NC1CCCCC1 2324567892 ZVZODTCAEOBXLQ-UHFFFAOYSA-N 435.564 5.344 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2c(c1C)OC(=Cc1ccccc1Cl)C2=O 2325198555 QONHFVUFOSEKNY-UHFFFAOYSA-N 427.928 5.292 30 10 IKEE O=C1C(=Cc2cccc(Cl)c2)Oc2cc(OCc3nc(O)c4ccccc4n3)ccc21 2325201013 ILDCTMSGKYJKPC-UHFFFAOYSA-N 430.847 5.184 30 10 IKEE Cc1cc(OCCC(=O)Nc2ccccc2)cc2c1C(=O)C(=Cc1ccc(N(C)C)cc1)O2 2325489147 NVLXKDJPVFJOND-UHFFFAOYSA-N 442.515 5.085 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(F)c(F)c2F)c1)c1ccc2ccccc2c1 2325700618 ZUNMYNQKSBLOLU-UHFFFAOYSA-N 432.397 6.372 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2ccc(F)cc2)cc1OC(=O)C(C)(C)C 2325751188 PDTLMJWMUBULLS-UHFFFAOYSA-N 435.289 5.444 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1cccc(C=CC(=O)c2ccc(F)c(F)c2)c1 2325753526 MQTGNCNWINOVIL-UHFFFAOYSA-N 436.454 5.934 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cc(Br)c(O)c(Br)c1 2325797905 JVOUSLZHMBRXKT-UHFFFAOYSA-N 446.522 5.475 30 10 IKEE CCCSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1cccs1 2325913897 ZENYQZVMOVTKIV-UHFFFAOYSA-N 427.382 5.610 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1N=Cc1cccc(OCC)c1O 2326550133 ZLIAQGLQROZRHA-UHFFFAOYSA-N 430.961 5.163 30 10 IKEE CCCCOc1ccc(C=Nn2c(CCc3cccc4ccccc34)nnc2SC)cc1 2326561652 KHNGBFPKOGFJRV-UHFFFAOYSA-N 444.604 6.000 30 10 IKEE Cc1ccccc1CSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccccc1 2327516366 GZOUZZYEDYBMOJ-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE CCCSc1nnc(Cc2cccs2)n1N=Cc1ccc(OCc2ccccc2)cc1 2330418761 BGRZRYQTYDOPQX-UHFFFAOYSA-N 448.617 5.894 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)C=Cc1ccc(Cl)cc1Cl)c1ccccc1 2330440109 QCYNYKLJSJOUFD-QFIPXVFZSA-N 429.347 5.065 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 2330621808 AROYKOSMQGMNMZ-UHFFFAOYSA-N 429.472 5.592 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2ccccc2C)nnc1-c1ccccc1 2330635015 QJBUMOIVIIQTSV-UHFFFAOYSA-N 442.588 6.217 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2cccs2)c(Cl)c1 2330692872 MNORCIXTBGBVAQ-UHFFFAOYSA-N 445.400 6.488 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)cc(Cl)c1OC(=O)c1cccs1 2330972174 OVXOAZCGBWLALJ-UHFFFAOYSA-N 442.920 5.924 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1 2331116191 WEYAMPBYTHXLBW-UHFFFAOYSA-N 434.919 6.309 30 10 IKEE O=[N+]([O-])c1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C(F)(F)F)cc1 2331138224 RGWQEGOJAKDVJN-UHFFFAOYSA-N 441.822 5.033 30 10 IKEE CCSc1nnc(-c2ccco2)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2331193330 ZSAYPGKHSCDSBO-UHFFFAOYSA-N 438.940 5.765 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccco3)n2N=Cc2ccc(C(=O)O)cc2)c1 2331208198 UNTPNOGJLDFDMF-UHFFFAOYSA-N 432.505 5.028 30 10 IKEE Fc1ccc(CSc2nnc(C3CCC3)n2N=Cc2ccc(C(F)(F)F)cc2)cc1 2331492774 OEPKYFNAOPQJQD-UHFFFAOYSA-N 434.462 5.878 30 10 IKEE O=C(O)c1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CCC2)cc1 2331525883 OBKOWPFQIKNTHY-UHFFFAOYSA-N 426.929 5.072 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc2c(c1)OCO2 2331535295 FXPDWGTZTONQPR-UHFFFAOYSA-N 434.419 5.068 30 10 IKEE CC[C@@H](C[C@@H](C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339596958 MTVOOFSDOVOIKR-MJGOQNOKSA-N 446.397 5.187 30 10 IKEE Cc1cc(CNc2cccc(NC(=O)OC(C)(C)C)c2)ccc1B1OC(C)(C)C(C)(C)O1 2343591158 BKHXOSCVQVYSBQ-UHFFFAOYSA-N 438.377 5.253 30 10 IKEE COc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(OCc4cccc(C)c4)cc3)S2)cc1 2184908 NIVJVGWEIQFBNK-HAHDFKILSA-N 430.529 5.474 30 10 IKEE CC(C)N1C(=O)/C(=C2\S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)c2ccccc21 19643904 ZLXNDITXEAJULI-MUWFNEMMSA-N 445.588 5.749 30 10 IKEE Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2coc3ccccc3c2=O)cc1 21226635 KIRBILXTLUCEEX-VKGTZQKMSA-N 448.522 6.081 30 10 IKEE COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(C(C)C)cc1 21252244 AAHZSZKCYHXWCV-LGGPFLRQSA-N 438.571 6.798 30 10 IKEE O=C(/C=C/C1=NN(c2ccccc2)[C@H](c2ccccc2)C1)c1ccc(Br)cc1 27474055 SHRIWFBMSXEZQC-TVXVBNPNSA-N 431.333 6.196 30 10 IKEE Cc1ccc(C(=O)/N=C(\NCCc2c[nH]c3ccccc23)Nc2cc(Cl)ccc2C)cc1 32943250 BDSPPEARICHCLL-UHFFFAOYSA-N 444.966 5.879 30 10 IKEE COc1cc(/C=C\C(=O)c2ccccc2)ccc1OC(=O)N(c1ccccc1)c1ccccc1 34955759 NYJMLYGSXFZKQT-ZPHPHTNESA-N 449.506 6.928 30 10 IKEE C=CCc1ccccc1OCc1nc2ccccc2n1CCCOc1cccc2ccccc12 39907116 ORIRSWUYHCDZRL-UHFFFAOYSA-N 448.566 6.966 30 10 IKEE C=C(Br)Cn1c([C@H](Sc2ccccc2)c2ccccc2)nc2ccccc21 39907362 MOGCUIARIJBYLD-JOCHJYFZSA-N 435.390 6.827 30 10 IKEE C=C(C)C(=O)NCCCCCc1nc2ccccc2n1CCOc1ccc(Cl)c(C)c1 40219785 PARFKIDJGWFKCS-UHFFFAOYSA-N 439.987 5.482 30 10 IKEE CCCCCCN(CCCCCC)CN1C(=O)/C(=N/c2ccc(CC)cc2)c2ccccc21 59378032 MIKAPMMEXBHFOE-SJCQXOIGSA-N 447.667 7.137 30 10 IKEE O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc(OC(F)(F)C(F)F)cc2)c1O 59378885 IMJOUBKQHLXLBV-QPSGOUHRSA-N 437.143 5.050 30 10 IKEE CCN(CC)c1ccc(/C=C2/C[C@H](C)C(=O)/C(=C\c3ccc(N(CC)CC)cc3)N2)cc1 59941143 HPVTZUCRCWCBJD-IGWAXRLBSA-N 431.624 5.960 30 10 IKEE C=CCn1c(=O)sc2cc(NC(=O)c3c(-c4ccccc4Cl)noc3C)ccc21 64473033 UJPDNMAUIKMKGT-UHFFFAOYSA-N 425.897 5.118 30 10 IKEE CCCCCCCCCCCn1c(CCCNC(=O)c2ccc(C)cc2)nc2ccccc21 102154646 JYJBOXHERBJBQN-UHFFFAOYSA-N 447.667 7.238 30 10 IKEE CCCCCCCCCCCn1c([C@@H](C)NC(=O)c2cccc(OC)c2)nc2ccccc21 102223853 FOBLQKARJMVOFL-JOCHJYFZSA-N 449.639 7.067 30 10 IKEE COc1ccc(OC)c(/C=C2/Oc3cc(OCc4ccc(F)cc4Cl)ccc3C2=O)c1 103016837 BRPFOMTUFIAXNP-AUEPDCJTSA-N 440.854 5.692 30 10 IKEE C[C@H](CCC=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@H]5CCCCO5)CC[C@]4(C)[C@H]3CC[C@@]21C 140805874 LLPUNUWSDVKWLQ-MGBIXZQRSA-N 442.684 7.092 30 10 IKEE COc1cc(/C=N\Nc2nc3cc(C)ccc3[nH]2)cc([N+](=O)[O-])c1OCc1cccc(C)c1 169893432 FLSYSIHIWIWKJT-MXAYSNPKSA-N 445.479 5.122 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)CCc2ccccc2)=C(O)C(=O)N1c1cc(C)cc(C)c1 169941406 HFOIIZDWTTYAAH-AREMUKBSSA-N 441.527 5.414 30 10 IKEE CC(C)Oc1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2C2CCCC2)cc1 169979150 LEMCLGKGVNYYCM-XMMPIXPASA-N 444.531 5.476 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1cccs1)c1c[nH]c2ccccc12 169985631 PAAJDTQFBSCGBQ-HXUWFJFHSA-N 434.904 5.666 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cccc3ccccc23)cc1C 170044558 UPCOCWQVMKRXFG-PXDATVDWSA-N 441.527 5.214 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1)c1cccc(Cl)c1 170062828 ZTIALOOZRONOQJ-HXUWFJFHSA-N 442.273 5.915 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccccc2F)cc1 170069585 HUHCXPAZTCEEJJ-QHCPKHFHSA-N 443.430 5.363 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OCC)c3)[C@@H]2c2ccc(C)o2)c1 170099472 AYSSWBKJOAYTFC-HSZRJFAPSA-N 447.487 5.168 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccc(C)c2)c(OC)c1 170142028 UKGMIARFKPEHGC-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccn2)c1 170176124 DPRHFKTVILAPCI-JOCHJYFZSA-N 448.906 5.225 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccn2)cc1C(C)C 170181923 KVSSTXLFNDENCW-QHCPKHFHSA-N 434.536 5.125 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2cccnc2)ccc1Cl 170190252 XVPASGVEILWVSN-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@H]1c1ccc(CC)cc1 170268390 JZCKWVKDIRDTHU-XMMPIXPASA-N 433.548 5.343 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccco2)cc1 170281704 HNZGPHBOYONOAD-QHCPKHFHSA-N 449.478 5.771 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccco1)c1ccc2ccccc2c1 170287036 MYYJJCHOMQQZPD-QFIPXVFZSA-N 429.859 5.869 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccco2)c1 170297167 OGBJOZBFKACWRA-RUZDIDTESA-N 437.495 5.828 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccc(C)o2)cc1 170300067 KMOVQWMGYYIPAW-DEOSSOPVSA-N 445.515 5.777 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccc(C)o2)cc1 170300720 HNIMWTPGBIELII-RUZDIDTESA-N 437.495 6.087 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccc(C)o2)cc1C 170303574 DWXKEYOCNNWGHC-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccco2)=C(O)C(=O)N1c1cc(Cl)cc(Cl)c1 170398028 IOZYHUFVCSCIEQ-IBGZPJMESA-N 428.271 5.678 30 10 IKEE COc1cccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2Cc2cccc(C(F)(F)F)c2)c1 170431530 KBFIHMVZFYASBC-OAQYLSRUSA-N 447.453 5.225 30 10 IKEE CC(C)(C)c1ccc(CSc2nnc(N/N=C/c3ccc(Cl)cc3Cl)[nH]2)cc1 253561547 CFAUNQFUTRESKL-FOKLQQMPSA-N 434.396 6.147 30 10 IKEE C=CCn1c(SCc2nnc(-c3ccc(F)cc3)o2)nnc1-c1ccc2ccccc2c1 253572445 QEFTYCWJTWNENL-UHFFFAOYSA-N 443.507 5.766 30 10 IKEE CCOC(=O)Nc1sc(NN=Cc2cccc([N+](=O)[O-])c2)nc1-c1ccc(C)cc1 254761388 AOAAJUVZFUBWMO-UHFFFAOYSA-N 425.470 5.041 30 10 IKEE CC(C)(C)c1ccc(C=NNc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1 254854683 SEOOWLFRCFIBHY-UHFFFAOYSA-N 437.551 6.102 30 10 IKEE N#C[C@H](Nc1ccc(Br)cc1)c1c(Br)cncc1Br 394539657 VITOQNKRXNEJPM-LBPRGKRZSA-N 445.940 5.046 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccccc2OC)cc1 526486888 SHFPMKIXCJYXKN-XMMPIXPASA-N 426.472 5.023 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(Sc3ccccc3)C2=O)cc1Cl 526658941 FUFHUABYXGDQHL-UHFFFAOYSA-N 445.931 5.509 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1/N=C\c1c(OC)ccc2ccccc12 526802653 KCHYUCFFKZPNIY-YSMPRRRNSA-N 434.540 5.706 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1cc(Cl)c(O)c(Cl)c1 526805733 RCNPUHPXTRAYBT-KSEXSDGBSA-N 435.380 5.726 30 10 IKEE CCOc1ccc(/C=N\n2c(C)nnc2SCc2cccc(Cl)c2)c(OCC)c1 526811548 NYXHXODZSMCSFM-QRVIBDJDSA-N 430.961 5.212 30 10 IKEE FC(F)(F)c1ccccc1/C=N\n1cnnc1SCc1ccc(Br)cc1 526820064 RJYZDDPXPXVOBN-AQHIEDMUSA-N 441.276 5.234 30 10 IKEE CCOc1c(Cl)cc(/C=N\n2cnnc2SCc2cccc(F)c2)cc1Cl 526824845 WZUOGBMXLAAKRL-AQHIEDMUSA-N 425.316 5.297 30 10 IKEE CCCCOc1cccc(/C=N\n2c(CCC)nnc2SCc2cccc(F)c2)c1 526825528 YELHSFHLFZUAQS-XYGWBWBKSA-N 426.561 5.723 30 10 IKEE CCCCc1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(OCC)cc2)cc1 586252890 CUWWUHSINULINJ-UHFFFAOYSA-N 448.588 5.695 30 10 IKEE O=C1C(=NNc2cc(Cl)ccc2Cl)c2ccccc2N1Cc1ccccc1Cl 1084379570 ALMWDSZNOHEHRR-UHFFFAOYSA-N 430.722 6.010 30 10 IKEE CC(=O)O/N=C(\C)[C@]12C[C@@H]1C[C@@H]1[C@H]3CC=C4C[C@H](OC(C)=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 1565534847 GGQIDQJAIYDGEX-NSSMBUTDSA-N 427.585 5.436 30 10 IKEE CC(=C\c1ccccc1)/C=C1/S/C(=N/N=C/c2ccccc2F)N(Cc2ccco2)C1=O 1615304530 GKGGPHXJSSIQFI-YDKMZGAXSA-N 445.519 5.872 30 10 IKEE C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1cccc2ccccc12 1772727223 DNQJLWYYAYBTHZ-NRFANRHFSA-N 433.508 5.125 30 10 IKEE COc1ccc(NC(=O)c2oc3c(c2C)C(=NNc2ccc(F)cc2)CCC3)c(OC)c1 1772749354 LUIHFVJRMQGWQL-UHFFFAOYSA-N 437.471 5.149 30 10 IKEE Cc1ccc(-c2csc3nc(-c4cccnc4)n(Cc4cccc(C#N)c4)c(=O)c23)cc1C 1857804312 XWTSYRXUMZEOHC-UHFFFAOYSA-N 448.551 5.724 30 10 IKEE Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N\NC(=S)Nc2ccc(C)c(C)c2)cc1 1857811666 VZIQRVHPIJTRHG-YUMHPJSZSA-N 439.588 5.785 30 10 IKEE CCc1ccc(NC(=S)N/N=C\c2cn(-c3ccc(C)cc3)nc2-c2cccs2)cc1 1857812056 QMFUHGLQFPVARF-MYYYXRDXSA-N 445.617 5.792 30 10 IKEE Cc1nc2c(cc1C(=O)Nc1oc(-c3ccccc3)c(-c3ccccc3)c1C#N)CCCC2 1859760602 KMUXFCWBOJJOQJ-UHFFFAOYSA-N 433.511 6.320 30 10 IKEE CCCCCCCCCOc1cccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)c1 1860112966 BIVXHHFTMCFJDP-UHFFFAOYSA-N 436.552 5.441 30 10 IKEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)Sc3nc(-c4ccccc4)cs3)cc21 1860795989 XWCSPQZGWXIDBV-OAHLLOKOSA-N 436.558 5.085 30 10 IKEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)C(c1ccccc1)c1ccccc1 1861479413 VKZOGVQFGZUHNT-UHFFFAOYSA-N 436.640 5.970 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 1861764835 LJLJNTHFENEPOU-HXUWFJFHSA-N 427.416 5.855 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(F)cc2)n(-c2ccc(Br)cc2)n1 1862373154 YYROSMRARJLVKI-UHFFFAOYSA-N 440.316 5.255 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccccc1F 1862382995 QIMTXQJIBVPRIJ-LJQANCHMSA-N 436.310 5.757 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2)cc1 1862387343 HVLHWWZLGTWXSJ-XMMPIXPASA-N 426.516 5.203 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc(F)cc2)cc1 1862391275 XEAUXZLCHXFASW-XYURVEJXSA-N 449.566 6.325 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1C 1862402626 CVNUKWIYKIEEDY-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccccc2Cl)=C(O)C(=O)N1CCC1=CCCCC1 1862428906 ALGBCVVXJPFJDO-HSZRJFAPSA-N 435.951 6.117 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccccn2)cc1 1862433311 YWYKJFFGUIPXFE-QHCPKHFHSA-N 446.934 5.637 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(C(F)(F)F)cc1 1862441971 AKVIXYWKCHWJJS-SFHVURJKSA-N 437.845 5.593 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccccc1)c1c(F)cc(F)cc1F 1862455988 HKTYJYWGJPLOGG-NRFANRHFSA-N 441.380 5.022 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)cc1 1862489543 XIACYXYNEPBLQO-IHLLOCCUSA-N 433.548 5.469 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 1862531514 PBQVUAWHIJKNDJ-RUZDIDTESA-N 445.603 6.458 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CC)cc1 1862553072 GQQGTBQNODZIIK-DEOSSOPVSA-N 432.564 5.010 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(C(C)C)cc1 1862561263 ROOXKUATDUKMIV-ZCYQVOJMSA-N 448.607 6.329 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(OC)cc1 1862581573 KWGCDZNOUYDXKB-BUXKBTBVSA-N 434.319 5.379 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1C(=O)O 1862582426 DIGWVLWCFQOXQG-VOJFVSQTSA-N 448.302 5.068 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1cc(Cl)cc(Cl)c1)c1cccc2ccccc12 1862657822 KALARYDEWBOPDM-NRFANRHFSA-N 438.310 5.887 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cc(Cl)c(O)c(OC)c1 1862671082 JCEBCFIZQJLYQG-FQEVSTJZSA-N 443.927 5.166 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862716768 NYNXZNGUIDJSLI-NRFANRHFSA-N 439.433 5.847 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(O)c(O)c1 1862726124 ZGPFDWLCBSIYSD-UPCLLVRISA-N 443.499 5.142 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2CCO)cc1 1862726846 QAJKKWLVGZCJLS-RUZDIDTESA-N 441.527 5.048 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(CC)cc1 1862735128 CIQDEFHXBCKZNR-JOCHJYFZSA-N 436.508 5.316 30 10 IKEE N#Cc1cccc(N2C(=O)C(Nc3ccccc3F)=C(c3cccc4ccccc34)C2=O)c1 1862850244 OMZQOPXKVNOXCA-UHFFFAOYSA-N 433.442 5.247 30 10 IKEE CCCOc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccccc3C)C2=O)cc1 1862975848 UPVBKGHEWNLTGV-UHFFFAOYSA-N 437.499 5.052 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1c(C(C)C)cccc1C(C)C 1866029997 SYEOYQQSQBYCNE-UHFFFAOYSA-N 443.760 10.133 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N(CC(=O)O)Cc1ccccc1 1866342540 ORRMQFZGCVFXOT-UHFFFAOYSA-N 431.661 7.361 30 10 IKEE CCCCCCCOc1cn(CCCCCO)c(CSCc2ccccc2)cc1=O 1870251441 JTAYEXBNZCHYAF-UHFFFAOYSA-N 431.642 5.794 30 10 IKEE C#CCOc1cn(CCCCCCCCCC)c(CNc2ccc(F)c(F)c2)cc1=O 1871006069 NWFLCSNQRREMKZ-UHFFFAOYSA-N 430.539 5.891 30 10 IKEE Cc1ccc(CCC(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871367284 CVACEKMOZRMYEC-HAHDFKILSA-N 432.903 6.111 30 10 IKEE Cc1c(OC(=O)/C=C/c2ccco2)ccc2c1O/C(=C\c1c(Cl)cccc1Cl)C2=O 1871369475 NCFORAWOZPTMNP-NMSZSRSNSA-N 441.266 6.130 30 10 IKEE Cc1cc(OC(=O)c2ccc(Cl)c(Cl)c2)cc2c1C(=O)/C(=C/c1cccc(F)c1)O2 1871372326 KSHZKPBZEYUNCB-UKWGHVSLSA-N 443.257 6.276 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3c(ccc(OCCCOc4ccccc4)c3C)C2=O)c1 1871398473 QYWMBQIJQUOLCR-UQQQWYQISA-N 446.499 5.476 30 10 IKEE Cc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 1871408250 CIXCTKRCUANHAV-CWCKBNEXSA-N 439.511 5.882 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2)cc2c1C(=O)/C(=C/c1ccccc1)O2 1871415112 SVMRXXVPWWHLRM-GLFIFPSUSA-N 433.891 5.671 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccc(Cl)cc4)ccc3C2=O)cc1 1871415155 UWCAAMKWPXNLDH-DNPFKWNUSA-N 447.918 5.925 30 10 IKEE CCCC[C@@H](Oc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O)C(=O)O 1871423642 VZUDGKFFOXMTDX-HPKGMJOESA-N 431.282 5.088 30 10 IKEE COc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871457003 JFTOOOVQHJWPAX-UUYOSTAYSA-N 449.890 5.291 30 10 IKEE CCCCCCCCN=c1nc(N(CCC)CCCC)[nH]c(=Nc2cccc(C)c2)[nH]1 1871649905 BNRNWFIZAQMIIF-UHFFFAOYSA-N 426.653 5.556 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(C(C)C)cc1)[C@H](C)CC)S(=O)(=O)c1ccccc1 1871851773 PBBLLWRYMCCAIX-AUSIDOKSSA-N 428.598 5.040 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cccc(C(C)(C)C)c1)c1ccccc1)S(=O)(=O)CCC 1872229360 WYGUTIPYRYOOEB-HSZRJFAPSA-N 442.625 5.282 30 10 IKEE N#C[C@H](C(=O)c1ccc(F)c(F)c1F)c1nc(-c2cccc(Br)c2)cs1 1872763412 LJPVFQKLUBWMML-GFCCVEGCSA-N 437.240 5.480 30 10 IKEE CCCCC1CCC(C(=O)[C@H](C#N)c2nc(-c3ccc(Br)cc3)cs2)CC1 1872765106 HJIZOTJJMZIGCB-KVWWFHCMSA-N 445.426 6.745 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(Br)cc3)n2)cc1 1872767859 BYKYDWNINFUZES-SFHVURJKSA-N 441.350 5.390 30 10 IKEE CC(C)(C)c1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 1872773600 RNXSQONSSXSPPC-ZAOIQFLMSA-N 430.529 5.726 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@H](C#N)C(=O)C23CC4CC(CC(C4)C2)C3)n1 1872788961 VOBPQDONASGYOU-MRJKMQNQSA-N 426.969 5.865 30 10 IKEE CC(=O)Nc1ccc(NC(=O)c2cccc(CSc3nc(C)c(C)c(C)c3C#N)c2)cc1 1872893035 DAWDEJJNVIAISY-UHFFFAOYSA-N 444.560 5.382 30 10 IKEE C=CCn1c(C(=O)N(C)CCCC)cc2c(N(CCCC)CCCCCC)ncnc21 1873562480 FOCDJQSACBYRPM-UHFFFAOYSA-N 427.637 5.676 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C(C)(C)C)c2)cc2c(NCCCOC(C)C)ncnc21 1873628483 DFFPUWBRXKLWOM-UHFFFAOYSA-N 449.599 5.394 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)Nc1cccc(C)c1C)n2C 1873629200 QNWQPILZLJAOBX-UHFFFAOYSA-N 435.616 6.390 30 10 IKEE CCOc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2)cc1 1874235782 ABXNFMGFGJTBTA-YZSQISJMSA-N 444.560 5.430 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc(CC)cc1 1874282865 CSVGNUQAWPIZPQ-MFKUBSTISA-N 425.001 5.830 30 10 IKEE C=CCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1ccc(Cl)cc1Cl 1874296486 DESTXACZYVFMAT-WSDLNYQXSA-N 448.335 5.244 30 10 IKEE CCCSc1nnc(CCc2ccccc2OC)n1/N=C/c1cccc2ccccc12 1874313698 JEMOGRKCOVMZAY-NLRVBDNBSA-N 430.577 5.609 30 10 IKEE CCCOc1cccc(/C=N/n2c(CCc3ccccc3OC)nnc2SCCC)c1 1874313726 KQHFLFLZLCYUBJ-XIEYBQDHSA-N 438.597 5.245 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1cn(C)c2ccccc12 1874330494 ULFMJNXJMRQWRZ-JFLMPSFJSA-N 443.620 5.722 30 10 IKEE CCCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc(Br)cc1 1874342686 DCRVBLHTZZVFOE-LPYMAVHISA-N 449.805 5.669 30 10 IKEE Fc1cccc(/C=N/n2c(CCOc3ccccc3)nnc2SCc2ccccc2)c1 1874346345 KIMWCCXNLBRZQU-YZSQISJMSA-N 432.524 5.213 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccccc3Cl)n2/N=C/c2ccc(O)cc2)c1 1874365910 AOARWUAWUAUPOA-AFUMVMLFSA-N 434.952 5.787 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccc(F)cc3)n2/N=C/c2ccncc2)c1 1874379769 LIDFAFDDJSWEDT-JFLMPSFJSA-N 431.540 5.194 30 10 IKEE CCOc1cccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2)c1 1874379836 PBIZEORWYJTZKV-WPWMEQJKSA-N 446.551 5.581 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccncc1 1874401214 JMWLWUBCWADSOD-AEIQVQRHSA-N 433.968 5.653 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccccc3)n2/N=C/c2ccccc2[N+](=O)[O-])c1 1874426580 PKDRNPPNAUBQDM-BUVRLJJBSA-N 429.505 5.336 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccccc1C(=O)O 1874479776 QPVILIKWCMHTEF-YDZHTSKRSA-N 428.945 5.147 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1cc(Cl)ccc1O 1874491340 MAJAJPCVRGJXGW-FOKLQQMPSA-N 435.380 5.664 30 10 IKEE Cc1ccc(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc3c(c2)CCCC3)c(C)c1 1874572133 XOUKNVZGLDEPAW-JQIJEIRASA-N 439.555 6.096 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1C 1874573915 LMRBIGKGPHZHMM-DHZHZOJOSA-N 427.327 6.786 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccccc1OC 1874577142 YFPSSEVFPOFVHJ-FOCLMDBBSA-N 445.559 5.772 30 10 IKEE Cc1cc(C(=O)/C=C/c2cc(Br)ccc2OCCc2ccccc2)ccc1F 1874580304 HRBXDOVWGBXQNQ-DHZHZOJOSA-N 439.324 6.414 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2cccc3ccccc23)c1OCc1ccc(F)cc1 1874583371 KMXPBJNKEOIOHN-SDNWHVSQSA-N 446.905 7.116 30 10 IKEE CCN(CC)C(=O)COc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OC 1874593178 WPHLDQHGRZJRBK-GZTJUZNOSA-N 443.543 5.506 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OCC(=O)Nc2cc(C)ccc2C)c1 1874597117 VPEMAQIKTMIYLF-VAWYXSNFSA-N 429.516 5.534 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC)c(OCc3cccc(Cl)c3)c2)c1 1874597175 YCUJIABPNDYCJZ-JXMROGBWSA-N 438.907 5.841 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)c1 1874606136 XZBLJCASNABUKM-PKNBQFBNSA-N 443.326 6.486 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OCc1c(F)cccc1Cl 1874611329 HZVBICWNRGRROU-ZRDIBKRKSA-N 426.871 5.971 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OCc1ccccc1F 1874638127 JQRHQBWLEZNURP-YRNVUSSQSA-N 445.317 7.006 30 10 IKEE CCCCCCCOc1ccc(C(=O)CCN2CCN(c3cccc(Cl)c3)CC2)cc1 1874690574 ZUSVUYBFTZRILF-UHFFFAOYSA-N 443.031 6.084 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1OC(=O)CCCSC 1874693065 LONWOFKGEMDPLU-MHWRWJLKSA-N 446.568 6.307 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3ccc(C)cc3C)c2)cc1 1874702186 UUFLBXDCGXHSRB-NTEUORMPSA-N 444.527 5.973 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OC(=O)c1ccc(N(C)C)cc1 1874704061 VJBHGJVJDIHTEC-WLRTZDKTSA-N 433.479 5.324 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(Cl)c(Cl)c3)c2)cc1F 1874706986 JOBHFZJMQSVVIB-WEVVVXLNSA-N 445.273 6.256 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1OC(=O)c1cc(C)cc(C)c1 1874707130 PWYIFHBHZAOXMC-ACCUITESSA-N 436.507 6.581 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1OC(=O)Cc1ccc(F)cc1 1874707248 WHIQZMXSFRTNMB-RVDMUPIBSA-N 440.470 6.032 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C)c(C)c3)c2)cc1 1874714243 LPEYXOUQWYCRFW-FOWTUZBSSA-N 428.528 6.273 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc(Cl)c1OC(=O)C1CC1 1875078287 INNZEKJZNNQZEU-OVCLIPMQSA-N 446.930 6.617 30 10 IKEE CCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1Br 1875097627 UXQFIUBKVZXTBA-XYOKQWHBSA-N 427.338 5.930 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3ccc(C)cc3)c(OC)c2)cc1 1875103605 HISMUXOFOPKGAZ-NTEUORMPSA-N 434.919 6.335 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3Cl)cc2Cl)c1 1875113534 LTTPOCNDTGEUFG-PKNBQFBNSA-N 427.283 6.117 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)c(F)c3F)c(Cl)c2)c(C)c1 1875131686 KAAYRIMVALJKFR-RUDMXATFSA-N 444.836 6.489 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)CCc1ccccc1C 1875140223 WJSCZSMPYSSLSQ-NTCAYCPXSA-N 442.555 6.445 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1ccc(Cl)cc1 1875156580 BPVCBWXACFIZAP-LNKIKWGQSA-N 434.919 6.587 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])cc1C 1875158092 FFANXRIICYXNES-NYYWCZLTSA-N 449.434 5.231 30 10 IKEE C[C@@H]1C[C@](C#N)([C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)[C@@H](C)O1 1875689163 CERNWJGXORKJOG-BGUKFENGSA-N 443.543 5.585 30 10 IKEE Cc1c(N=[N+]=[N-])c(C)c(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1C(=O)OC(C)(C)C 1887514540 QARCLVDRSBYKOV-UHFFFAOYSA-N 445.564 5.566 30 10 IKEE CC(C)[C@@H]1C[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)CN1Cc1ccccc1 1912206613 TYXCEIVJIPVRDE-NZQKXSOJSA-N 426.565 5.117 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)OC(C)(C)C 1922059872 KVYYGMHJIUZNDX-NDBXHCKUSA-N 442.644 5.696 30 10 IKEE Cc1cccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)c1Br 1927302628 KIPXKGMXPWCEDP-KRWDZBQOSA-N 435.749 6.417 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C 1949112061 PWIMRFQOTAVEKK-YJLYGGOZSA-N 427.545 5.028 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CN(C(=O)OC(C)(C)C)C(C)(C)C2)cc1 1949595058 GIUPGASMPFWNPQ-DEOSSOPVSA-N 429.561 5.418 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@]1(C#N)CC(C)(C)[C@@H]1OCc1ccccc1 1950396203 FADBUKFXXSQHCN-OFVILXPXSA-N 440.971 6.359 30 10 IKEE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCC#N)C(C)C 1985178613 BSZSPJOWPGWRDL-KBMIEXCESA-N 447.579 5.090 30 10 IKEE CCCCCC#CC[C@H](O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2024347732 UBYYFBAMTGUGPG-JYFHCDHNSA-N 429.601 5.165 30 10 IKEE O=C1NC(=Nc2cccc(Cl)c2Cl)SC1=Cc1ccc(N2CCCCC2)cc1 2053525599 LGCPWEPBLZUWIX-UHFFFAOYSA-N 432.376 5.875 30 10 IKEE C#CC[C@@H](C[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C1CC1 2075955366 DYCPUQICWYURDO-BDYUSTAISA-N 426.556 6.318 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NC)c2ccc(Cl)cc2Br)C1 2077749671 AQXDBAKPIFVYBN-INIZCTEOSA-N 429.786 5.224 30 10 IKEE Cc1cc(C)c([C@H](C2CC2)n2nc(C3CC3)c(C#N)c2I)cc1C 2078979567 ORLRMNZYVFUGMV-IBGZPJMESA-N 431.321 5.161 30 10 IKEE Cc1ccc([C@@H](n2nc(C3CC3)c(/C=N/O)c2I)C(C)(C)C)cc1 2079004828 VAPHLXNJGUZKFL-LASGFXPTSA-N 437.325 5.117 30 10 IKEE Cc1ccc([C@H](n2nc(C(F)(F)F)c(/C=N/O)c2Br)C2(C)CC2)c(F)c1 2079123647 CISWUKZYIPGHDF-GRLVRZOXSA-N 434.231 5.310 30 10 IKEE Cc1ccc(F)c(-c2cc(N)n3nc(C4CCCCC4)c(C#N)c3n2)c1Br 2081198785 BKLAAPICHUWVKP-UHFFFAOYSA-N 428.309 5.108 30 10 IKEE CCCCC#CC[C@H](NCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2083448060 QOHASQRGVZQFRB-DEOSSOPVSA-N 441.660 5.108 30 10 IKEE C=CCC1(C(=O)Nc2cc(Br)c(Cl)cc2C)CN(C(=O)OC(C)(C)C)C1 2138098343 KSNXGQZXWMPYCZ-UHFFFAOYSA-N 443.769 5.163 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)cc(Br)cc1F 2145542713 BPIFMZVASKPGDC-FUHWJXTLSA-N 445.348 5.075 30 10 IKEE CC(C)(C)OC(=O)NCCc1ccc(CNc2cccc(Br)c2C#N)cc1 2162418075 MGIKMLXGJXALTE-UHFFFAOYSA-N 430.346 5.000 30 10 IKEE CC[C@H]1CN(c2cc(Br)c(C#N)cc2F)[C@H](CC)CN1C(=O)OC(C)(C)C 2174808662 QOPAFHDEFZZBII-CABCVRRESA-N 440.357 5.074 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCC)c2c(F)ccc(Br)c2F)C1 2183006238 IXMMWAYWNRDWPH-KRWDZBQOSA-N 445.348 5.239 30 10 IKEE Cc1cnc(Nc2ccc(NC(=O)OC(C)(C)C)c(C)c2)c(B2OC(C)(C)C(C)(C)O2)c1 2232283036 SCAUTFWBKCIEFY-UHFFFAOYSA-N 439.365 5.088 30 10 IKEE C=CCCCCCCC[C@@H](NC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2235533156 RLPBSFLGQXSBTC-HXUWFJFHSA-N 439.438 6.973 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)C[C@H](C)CCNC(=O)OC(C)(C)C 2235747467 QDIWEBFDEXXWBA-MJGOQNOKSA-N 437.422 5.110 30 10 IKEE C[C@H](N(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(C)(C)C 2247917133 IHJIYHNGNYXUBG-KRWDZBQOSA-N 427.419 5.124 30 10 IKEE C=C(COCc1ccccc1)[C@@]1(OCCCN)CN(Cc2ccccc2)C2(CCCC2)C1 2263016311 MGZKWGDEODBIRT-NDEPHWFRSA-N 434.624 5.082 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1sc(Br)c(C)c1C 2265884733 VIVOVIQWPFMSRZ-MRXNPFEDSA-N 435.387 6.442 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](CNc2c(Br)cccc2C#N)C(F)(F)CC1 2285241966 UESWCFHDIKJHDL-CQSZACIVSA-N 444.320 5.015 30 10 IKEE C=CCCC1([C@H](NC)c2cc(F)cc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2288344304 IGAYEAHVPYBMID-QGZVFWFLSA-N 445.348 5.191 30 10 IKEE COCCN1C(=O)C(=Cc2c(OC)ccc3ccc(OC)cc23)SC1=Nc1ccccc1 2294137545 LPEWYPMWXQNSGF-UHFFFAOYSA-N 448.544 5.107 30 10 IKEE CCCCN1C(=O)C(=C2Sc3ccccc3N2C)SC1=Nc1cccc(Cl)c1 2295196166 ZJZNRZDTSJKFGU-UHFFFAOYSA-N 429.998 6.114 30 10 IKEE CCOc1cc(C=C2SC(=Nc3ccc(Cl)cc3C(F)(F)F)NC2=O)ccc1O 2296160387 OMQQQKGMCLCRJR-UHFFFAOYSA-N 442.846 5.355 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)C[C@@H](CCC)NC(=O)OC(C)(C)C 2296308574 KEZNEXNIXKFTLZ-VQTJNVASSA-N 437.422 5.252 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2)OC(=CC=Cc2ccccc2OC)C3=O)cc1 2296868030 OWXVZQKTMABCDS-UHFFFAOYSA-N 428.440 5.095 30 10 IKEE COc1ccc(N=C2SC(=C3Sc4ccccc4N3C)C(=O)N2c2ccccc2)cc1 2297321672 OAJMJRWJQMVKLI-UHFFFAOYSA-N 445.569 5.874 30 10 IKEE C=CCN1C(=O)C(=Cc2ccccc2OCCOc2cc(C)cc(C)c2)SC1=S 2297624585 FVORODWENYSOJG-UHFFFAOYSA-N 425.575 5.148 30 10 IKEE C=CCCN(Cc1ccccc1)[C@](C)(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)O 2306525733 ISPAEDJJSXGSDK-SQJMNOBHSA-N 430.589 5.088 30 10 IKEE Cc1cccc(N=C2NC(=O)C(=Cc3cc(Br)c(N4CCCC4)o3)S2)c1C 2313565091 RFKAYEUJGQNETE-UHFFFAOYSA-N 446.370 5.151 30 10 IKEE C[C@H](Oc1ccc(C=C2SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc1)C(=O)O 2313565166 XDMKMXGMKYAWSP-KRWDZBQOSA-N 444.512 5.347 30 10 IKEE CCCOc1ccc(C=NNc2oc([C@@H]3C[C@@H]3c3ccccc3)nc2C#N)cc1OCC 2320836916 DVHDFXMCQVEHIX-WOJBJXKFSA-N 430.508 5.451 30 10 IKEE Cc1cccc(C)c1OCc1nnc(S)n1N=Cc1ccccc1OCc1ccccc1 2322092419 BSNLYFGSTDCVLR-UHFFFAOYSA-N 444.560 5.224 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(C(C)C)cc1)C3=O)CN(Cc1ccncc1)CO2 2322312239 YHVQUEOBLDHKEP-UHFFFAOYSA-N 426.516 5.482 30 10 IKEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1cccc2ccccc12)Nc1nccs1 2322724680 SOADVQCYBJCFBJ-UHFFFAOYSA-N 448.931 5.863 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OCc3ccc(Cl)c(Cl)c3)c2)cc1 2323060740 XCUDQUWLSBICDM-UHFFFAOYSA-N 441.354 7.040 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3cc(C)ccc3C)c2)cc1C 2323081365 YLDCDEZWEBAMAM-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCc3ccc(Cl)cc3Cl)c2)cc1 2323094392 UQVZYBDSNAADEV-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1OCC(=O)Nc1ccccc1F 2323106118 QJAYAVKABUYCRB-UHFFFAOYSA-N 441.405 5.026 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1cccc(OCc2ccccc2Cl)c1 2323301741 ZKDJMWAZAWHJSJ-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1OCc1ccc(C)cc1 2323303112 JTSGANHFJFAHBI-UHFFFAOYSA-N 428.572 7.085 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc(C)c3C2=O)c1 2323331722 HGKISIGQMIQGSH-UHFFFAOYSA-N 445.427 5.056 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)c(OC)c1OC 2323341187 CREUNRRKJINBIZ-UHFFFAOYSA-N 449.459 5.096 30 10 IKEE Cc1cc(OC(=O)C(Cl)=Cc2ccccc2)cc2c1C(=O)C(=CC=Cc1ccccc1)O2 2323444131 FLCFCLLSXZRUGB-UHFFFAOYSA-N 442.898 6.353 30 10 IKEE CCCCCCCCCOc1ccc(C=C2CN(CC)CCC2=O)cc1Br 2323857924 CZBRAGBZTXXELI-UHFFFAOYSA-N 436.434 6.257 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OCC(=O)Nc1ccc(C)cc1 2324010297 ALHYMPOCUFOYJR-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE Cc1cc(O)c(CN2C[C@H](C)O[C@@H](C)C2)c2c1C(=O)C(=Cc1c(Cl)cccc1Cl)O2 2324017925 NBFQKWBWTISMIZ-KBPBESRZSA-N 448.346 5.233 30 10 IKEE Cc1cc(O)c(CN2CCCC[C@H]2CCO)c2c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O2 2324140849 AAXMMXPSUZKZAX-NRFANRHFSA-N 449.591 5.351 30 10 IKEE CCCCCOc1ccc2c(c1)OC(=Cc1cc(Br)cc3c1OCOC3)C2=O 2324262204 XNUKQMVOTWFPBC-UHFFFAOYSA-N 445.309 5.501 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccccc2C)C3=O)cc1 2324380823 WGDKYBXFLJZLGU-LJQANCHMSA-N 427.500 5.634 30 10 IKEE Cc1c(OCc2ccc(C(=O)OC(C)C)cc2)ccc2c1OC(=Cc1cccc(F)c1)C2=O 2324606049 PQVQZXCRMOGYIY-UHFFFAOYSA-N 446.474 5.895 30 10 IKEE CCN(CC)C(=O)COc1ccc(C=CC(=O)c2cc(C)c(OC)cc2C)cc1Cl 2324631073 RKJYSCDHZHSCTA-UHFFFAOYSA-N 429.944 5.109 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccc(OCC)c(OCC)c1 2325541298 XSZPFGOHLFOLJO-UHFFFAOYSA-N 438.597 5.511 30 10 IKEE CCc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2C)C3=O)cc1 2325723004 KLCQWEGHPQOTHE-UHFFFAOYSA-N 427.500 5.500 30 10 IKEE CCc1ccc(C(=O)Oc2cc(C=CC(=O)c3c(C)c(C)cc(C)c3C)ccc2OC)cc1 2325756647 ZZSOCQBHQBPQAZ-UHFFFAOYSA-N 442.555 6.607 30 10 IKEE Cc1ccc(CSc2nncn2N=Cc2cccc(OCc3ccc(Cl)cc3)c2)cc1 2326287115 DUUMZPRXCLJBQM-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccc(OC(C)(C)C)cc1 2326306451 PMJXBJHZVGQBHY-UHFFFAOYSA-N 436.625 6.281 30 10 IKEE CCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1ccc(O)c(Br)c1 2326442367 BIMALVVZPMIWLN-UHFFFAOYSA-N 445.386 5.100 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1cccc(OC)c1OCC 2326446333 OKFDSUJSGATGPS-UHFFFAOYSA-N 438.597 5.429 30 10 IKEE CCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1ccc(OCC)cc1OCC 2326681165 AEHXOYQJKXJZJX-UHFFFAOYSA-N 449.580 5.074 30 10 IKEE CCCCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1N=Cc1ccccc1C 2326881220 CLZBRJZQCGQEJA-UHFFFAOYSA-N 440.569 5.262 30 10 IKEE Cn1cccc1C=Nn1c(CC23CC4CC(CC(C4)C2)C3)nnc1SCc1ccccc1 2326912674 IHQXBOUCOUUYBQ-UHFFFAOYSA-N 445.636 5.550 30 10 IKEE Cc1ccc(O)c(C=Nn2c(COc3ccccc3)nnc2SCc2ccc(F)cc2)c1 2329883856 NSXYSKZJZINHCA-UHFFFAOYSA-N 448.523 5.185 30 10 IKEE Clc1ccc(CSc2nnc(CC3CCCCC3)n2N=Cc2cccnc2)cc1 2330283010 NZSUMXMEVLCUNB-UHFFFAOYSA-N 425.989 5.624 30 10 IKEE CCCCCCOc1ccc(C=Nn2c(Cc3cccs3)nnc2SC)cc1OC 2330313498 VAOZXRBWSBYCJD-UHFFFAOYSA-N 444.626 5.502 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc4nc(C)c(C)nc4c3)cc2)cc1 2330952194 UNKZGLPEQPKBQS-UHFFFAOYSA-N 438.483 5.371 30 10 IKEE CCCSc1nnc([C@H]2CCCO2)n1N=Cc1ccc(OCc2ccc(C)cc2)cc1 2330979766 NEUYVLNVIUZWMI-JOCHJYFZSA-N 436.581 5.401 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Br)c2)cc(Cl)c1OC(=O)CC 2331004581 SKCZBHFXFIWCAN-UHFFFAOYSA-N 437.717 5.713 30 10 IKEE CC(C)c1ccccc1OCCCC(=O)Oc1ccc(C=CC(=O)c2ccccc2)cc1 2331163213 JJDLEHXIINRMSZ-UHFFFAOYSA-N 428.528 6.471 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)c(C)c3)c(OC)c2)cc1 2331212538 LQNDRLYJFDSQHF-UHFFFAOYSA-N 430.500 5.826 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)c1cnccn1 2331226485 AMERMFDNYISWTP-UHFFFAOYSA-N 436.895 5.261 30 10 IKEE COCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccc(Cl)c(Cl)c1 2331282290 ZESPMDMIWFZUJW-UHFFFAOYSA-N 449.407 5.565 30 10 IKEE CCOc1c(C=Nn2c(SCc3ccc(F)cc3)nnc2C(C)(C)C)cccc1OC 2331375967 AXZSPNCNWSOFNC-UHFFFAOYSA-N 442.560 5.297 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2C(C)(C)C)cc1 2331381052 BQOXBIBUGMDGTE-UHFFFAOYSA-N 435.641 5.905 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2)c(C)c1 2331411200 YLHIUCIJKFZJSS-UHFFFAOYSA-N 442.555 6.481 30 10 IKEE CCc1ccc(C=Nn2c(CC(C)C)nnc2SCC(=O)Nc2cccc(C)c2C)cc1 2331430703 STBYQPRLKROOGU-UHFFFAOYSA-N 449.624 5.269 30 10 IKEE O=C(Cc1ccccc1F)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1Cl 2331437886 QPZXKYRVTOGDRX-UHFFFAOYSA-N 438.838 5.252 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)c1ccccn1 2331507955 YUKQPGPWYASSIT-UHFFFAOYSA-N 441.527 6.057 30 10 IKEE CCCOc1cccc(C=Nn2c(COC)nnc2SCc2ccccc2Cl)c1 2331577946 QFMFISWFFLDVHM-UHFFFAOYSA-N 430.961 5.041 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(C(C)C)n2N=Cc2sccc2C)c1 2331670124 YDIWZFSETDRFOP-UHFFFAOYSA-N 427.599 5.001 30 10 IKEE C=CCSc1nnc(C(C)C)n1N=Cc1ccc(OCc2ccc(C)cc2)c(OC)c1 2331704823 MYPRMTDUGUHJDR-UHFFFAOYSA-N 436.581 5.458 30 10 IKEE C=CCCC1([C@H](N)c2cc(Cl)cc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2337103142 UGLJQZHFXCUHKP-MRXNPFEDSA-N 447.776 5.445 30 10 IKEE CC#CCN(C[C@H](NCC)c1ccc(Br)c(Cl)c1F)C(=O)OC(C)(C)C 2337900440 FTIMJCZSDDIEGB-HNNXBMFYSA-N 447.776 5.153 30 10 IKEE C[C@H](CC(C)(C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339597854 VAZGGDVZWZYZFE-QGZVFWFLSA-N 446.397 5.187 30 10 IKEE CC(C)(C)OC(=O)N1[C@@H](CNc2cc(Br)ccc2C#N)C[C@H]2CCCC[C@H]21 2358974353 SRXABXMZSBXTJK-LSBZLQRGSA-N 434.378 5.301 30 10 IKEE C=CCOc1cccc(NC(=O)c2cc(Br)ccc2OCCCCCC)c1 14783789 NKBLHYDLOMMTMP-UHFFFAOYSA-N 432.358 6.225 30 10 IKEE Cc1cc(C)c(OCC(=O)Nc2ccc(C3(C#N)CCCC3)cc2)c(Br)c1 20972006 YTLJYFBWTOUUBP-UHFFFAOYSA-N 427.342 5.419 30 10 IKEE CCOc1cc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(CC)cc2)C3)ccc1OC(C)C 21228421 YKCVKWZCUVTBHH-FCHUYYIVSA-N 447.575 5.439 30 10 IKEE Cc1ccc(-c2cc(-c3ccccc3)nc(S[C@@H](C(=O)O)c3ccccc3)c2C#N)cc1 22869104 KEYRBWCAIULCDS-RUZDIDTESA-N 436.536 6.514 30 10 IKEE C/C(=C/CC/C=C(/C)CC/C=C(/C)CC[C@@H]1OC1(C)C)CC/C=C(/C)CCC[N+](C)(C)[O-] 33954376 CHOZGZSGIDAVLS-IQLCXPLTSA-N 445.732 8.424 30 10 IKEE Cc1ccc2oc(C(=O)c3c(C)c(C#N)c(=O)n(Cc4ccccc4Cl)c3O)c(C)c2c1 38626431 OKQHVBQLVMSOIL-UHFFFAOYSA-N 446.890 5.030 30 10 IKEE CCc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(CCc3cccs3)C4)C2=O)cc1 41588092 RCRWAIZAXDLWAL-QRVIBDJDSA-N 431.557 5.630 30 10 IKEE CCCCCOc1ccc(/C=N/Nc2nnc3c4ccccc4n(CC)c3n2)cc1OC 64981370 RPYKJCBULDGXMT-PCLIKHOPSA-N 432.528 5.023 30 10 IKEE CCOC(=O)c1sc2nc(-c3ccc(C#N)cc3)c(NCc3ccc(F)cc3)n2c1C 65315848 OZPVEBYATUIHBO-UHFFFAOYSA-N 434.496 5.171 30 10 IKEE CCCCCCCOc1ccc(NC(=O)c2ccc(OCC)c(Br)c2)cc1 100214561 IGKUAHYOGPJIMS-UHFFFAOYSA-N 434.374 6.449 30 10 IKEE CCCCCCCCCCn1c(COc2ccc(Cl)cc2Cl)nc2ccccc21 102185070 IYQUEJYCAXROSE-UHFFFAOYSA-N 433.423 8.063 30 10 IKEE C=C(C)n1c(=O)n(CCCCCCCCCCCCCCCC)c2cc(C)c(C)cc21 102249361 OODSLYXNPCPXKA-UHFFFAOYSA-N 426.689 8.392 30 10 IKEE CCc1ccc(/C=C2/S/C(=N/c3cccc4ccccc34)N(Cc3ccccc3)C2=O)cc1 105789861 NHMYWLKXCPQTMO-QXTIGVTFSA-N 448.591 7.206 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2ccc(F)cc2)c1 169929194 GBDQRXIDINUHHJ-QHCPKHFHSA-N 442.446 5.099 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(C)c(C)c2)=C(O)C(=O)N1c1ccc(F)cc1 169940570 JZXJMMIGZVLGSR-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE COc1cccc(-c2csc(N/N=C\c3ccc(OCCCc4ccccc4)cc3)n2)c1 169940810 AILMMXDTOQPPQB-IMRQLAEWSA-N 443.572 6.276 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2cc(C)ccc2O)c1 169971012 OQLSGMRDSJIUJF-AREMUKBSSA-N 449.506 5.945 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2cccs2)c1 169985310 RJKSJOVYGSDKGH-FQEVSTJZSA-N 439.920 5.583 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(Cl)cc1 170057104 CBRDXCGHHNLVQN-QHCPKHFHSA-N 449.934 5.497 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2cccc(O)c2)cc1 170079558 RKECIIUNLGPWTN-DEOSSOPVSA-N 443.499 5.307 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1cccc(O)c1)c1cccc(Cl)c1 170082608 VKJBZUZXVPNUGI-FQEVSTJZSA-N 441.817 5.107 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)o1 170101969 YWFCZAMALZCQQC-SFHVURJKSA-N 442.924 5.406 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2cccs2)cc1 170161121 AREBHJHTZVATIK-HSZRJFAPSA-N 436.492 5.556 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@@H]1c1ccc(O)c(Cl)c1 170219817 GBTHYOGUWWODDK-NRFANRHFSA-N 443.927 5.131 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc2ccccc12 170220874 ILCGGDIECJYUOU-SANMLTNESA-N 435.523 6.371 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccccc2)cc1 170224871 ADLLARRRFCXVPE-HSZRJFAPSA-N 425.440 5.224 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccccc2)cc1Cl 170225164 NHVOJSNRNXWPBT-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1ccccc1)c1ccc2c(c1)CCCC2 170229471 FZJJPEPDANXBAV-XMMPIXPASA-N 445.465 5.627 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@H]1c1ccco1 170289234 PNACYZZNAIGLER-NRFANRHFSA-N 437.879 5.341 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2ccco2)ccc1Cl 170290690 KQCLFZLBRXHIRV-LJQANCHMSA-N 445.805 5.003 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)(C)C)c2)[C@@H]1c1ccc(C)o1 170309450 TWWVQVNUGPSXLF-NRFANRHFSA-N 425.525 5.273 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2sccc2C)cc1 170313962 PGJGPXMZCSEROV-FQEVSTJZSA-N 437.492 5.377 30 10 IKEE CC(C)C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(OCc2ccccc2)cc1 170437927 BADPXJIZQUZOSX-DEOSSOPVSA-N 427.500 5.391 30 10 IKEE C=CCOC(=O)c1sc(NC(=O)CCc2ncc(-c3ccc(C(C)C)cc3)o2)nc1C 170553689 WHMXKJUDIXXPIS-UHFFFAOYSA-N 439.537 5.144 30 10 IKEE C/C(=N\OCc1ccccc1C#N)c1cc(-c2ccc(F)cc2)n(-c2cccc(C)c2)c1C 207092796 HLNPWUWOEAAEOC-AJBULDERSA-N 437.518 6.713 30 10 IKEE CCOc1ccc(N2C(=O)C(=O)/C(=C(O)/C=C\c3ccccc3)[C@@H]2c2ccccc2)cc1 229181623 RWRNKYRPZNKWEG-UTEJKZPISA-N 425.484 5.268 30 10 IKEE COc1ccc(-c2cc(C(C)=NOCc3ccccc3F)c(C)n2-c2ccccc2F)cc1 254296639 ZPAJBZQUOGJSOE-UHFFFAOYSA-N 446.497 6.680 30 10 IKEE O=[N+]([O-])c1ccc(C=NNc2nc(-c3ccccc3)c3cc(Br)ccc3n2)o1 254393034 AMFHUDPQIPHXIT-UHFFFAOYSA-N 438.241 5.007 30 10 IKEE aggregator Cc1ccccc1N=C1S/C(=C2\C(=O)Nc3ccccc32)C(=O)N1c1ccccc1C 254700549 FOZMYJZSCDZMOL-GLFMYUHVSA-N 425.513 5.434 30 10 IKEE C(=Nc1ccccc1)C1=C(c2ccccc2)S[C@H](c2ccccc2)C(Cc2ccccc2)=C1 254842096 YNKQRWKIVXESQW-SSEXGKCCSA-N 443.615 8.457 30 10 IKEE C[C@H]1CN(c2ccc(C=Nc3ccc(O)c(-c4nc5ccccc5s4)c3)o2)C[C@H](C)O1 254865162 WWXYEDMQPPLPMT-HOTGVXAUSA-N 433.533 5.626 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)cc1 526773252 LKFMAEOGYBIDFZ-QHCPKHFHSA-N 449.909 6.385 30 10 IKEE Cc1ccccc1N(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586241343 MWSZTNVWBDARPV-UHFFFAOYSA-N 431.344 5.569 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H]1C(C)(C)[C@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 693750857 GZDSOCRZNUCQIV-HHJKRLRDSA-N 447.620 5.484 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CC[C@H](C)N(C(=O)OC(C)(C)C)C1 698481838 ABLXAZYAARKLTE-UUOWRZLLSA-N 429.561 5.418 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C#N)(Cc1cc(Cl)ccc1Br)C2 712793773 BNRQUSYXJZCMOU-HOTGVXAUSA-N 439.781 5.717 30 10 IKEE Oc1ccc(Br)cc1C=Nc1cc(C(F)(F)F)ccc1OC1CCCCC1 1084120535 NJPQGLDJJDIMIJ-UHFFFAOYSA-N 442.275 6.636 30 10 IKEE C/C=C/C(=O)N=C1SC[C@@H](c2ccccc2)N1c1ccc(I)cc1 1088706793 VPNOIMNSBJLNJB-DJEZOVMZSA-N 448.329 5.044 30 10 IKEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1286771911 ASKDUBNBEWNAMU-UHFFFAOYSA-N 448.596 5.165 30 10 IKEE CSc1nc(O)c(C(=O)Nc2ccc(Oc3cccc(F)c3)c3ccncc23)cc1C#N 1318234443 NCTKAYDBOVCPEX-UHFFFAOYSA-N 446.463 5.113 30 10 IKEE Cc1sc(NC(=O)CN2CC=C(c3ccc(C#N)cc3)CC2)nc1-c1ccc(Cl)cc1 1559714630 CIUFYTJRUPJBLE-UHFFFAOYSA-N 448.979 5.371 30 10 IKEE Cc1cccc(-c2nc3sc(C)c(-c4ccccc4)c3c(=O)n2Cc2cccc(C#N)c2)c1 1857803515 WANTWTBXDULLGC-UHFFFAOYSA-N 447.563 6.329 30 10 IKEE Cc1ccc(-c2c(C)sc3nc(-c4ccccn4)n(Cc4cccc(C#N)c4)c(=O)c23)cc1 1857804446 SZNHTPTUKIKNHC-UHFFFAOYSA-N 448.551 5.724 30 10 IKEE Cc1sc2nc(-c3ccncc3)n(Cc3cccc(C#N)c3)c(=O)c2c1-c1ccccc1 1857804942 RPXYRLBLXAGPJL-UHFFFAOYSA-N 434.524 5.415 30 10 IKEE CCc1ccc(NC(=S)N/N=C\c2cn(-c3cccc(F)c3)nc2-c2cccs2)cc1 1857808747 KODKRBBLERHPLT-QFEZKATASA-N 449.580 5.623 30 10 IKEE Cc1cc(C)cc(NC(=S)N/N=C\c2cn(-c3ccccc3)nc2-c2cccs2)c1 1857810622 ABFJUYPDZQAOAR-OYKKKHCWSA-N 431.590 5.538 30 10 IKEE CCc1ccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)nn2Cc2ccccc2Cl)cc1 1859400035 DCQWPYCLBGQEKU-UHFFFAOYSA-N 440.934 5.938 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)COc1c(C)ccc(C)c1C 1861665360 DXOOBWZVQCHGDQ-HSZRJFAPSA-N 430.633 5.239 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccccc1F 1862381531 BXEDVGILSOBHMV-LJQANCHMSA-N 436.310 5.901 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862405380 CAGQTDXYDDHHKW-IBGZPJMESA-N 433.426 5.011 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccccc1F)c1ccc(F)cc1F 1862411234 CCMSGZZWNYVEQQ-NRFANRHFSA-N 429.438 5.405 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2ccccc2)c1 1862419390 ROSBOFBAFUGQGB-QHCPKHFHSA-N 449.453 5.142 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc(F)c1 1862431900 QZYYAGVWWXXSKJ-JOCHJYFZSA-N 443.946 6.418 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccccc1 1862441226 CLRIPFZDOVSGLC-IFMALSPDSA-N 425.956 6.277 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2cccc(Cl)c2)cc1 1862476266 HICWAKIMHZEAOP-HSZRJFAPSA-N 431.919 5.735 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccc(C)cc2)cc1 1862507756 STXKGDUGPKIQGN-DEOSSOPVSA-N 445.490 5.230 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1cccc(O)c1 1862533849 OZCONEOBVLJOFI-XMMPIXPASA-N 435.564 5.893 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862534478 RWVUNJKBGSXVHX-XMMPIXPASA-N 435.564 5.113 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccc(Cl)cc2)c1 1862554721 JLXSPGZZTGCADW-QFIPXVFZSA-N 432.907 5.009 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)c(Cl)c2)=C(O)C(=O)N1CCCCCO 1862580501 LCTNPFKEBQDVMA-HXUWFJFHSA-N 448.346 5.043 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1cccc(O)c1)c1cccc2ccccc12 1862649394 XFKFCIOWONAZOD-RUZDIDTESA-N 435.479 5.324 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccc(F)cc2F)cc1 1862659817 BFJFXQLXBCXKIA-QHCPKHFHSA-N 448.469 5.262 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C(C)C)cc3)[C@H]2c2ccc(F)cc2)c1 1862661058 CHTKKMFPRUHXMO-RUZDIDTESA-N 443.518 6.036 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2cccc(F)c2)cc1 1862662949 OBZZSVPKRWPRQA-VWLOTQADSA-N 443.518 5.770 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(C(=O)O)cc2)cc1 1862663558 ATMOCCUNLOFGBL-QFIPXVFZSA-N 433.504 5.029 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC(C)C)cc1 1862682437 OWBMESUUWQPKNV-QFIPXVFZSA-N 425.500 5.239 30 10 IKEE Cc1cccc(NC2=C(c3cccc4ccccc34)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1862849217 CYQXMRAQMQCUBL-UHFFFAOYSA-N 429.479 5.417 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCCC)=C(c2ccc(Cl)cc2)C1=O 1863533866 WLHXIJXSVUJRLE-UHFFFAOYSA-N 433.036 6.340 30 10 IKEE C=CCN(CC=C)c1cc(N2CCCC[C@H]2CCO)nc(-c2ccc(C(C)(C)C)cc2)n1 1867997617 FSDLJMBWWBPOAQ-QHCPKHFHSA-N 434.628 5.361 30 10 IKEE CCCc1nc(Nc2cccc(C#N)c2)cc(N2C[C@H](CC)Cc3cc(OC)ccc32)n1 1868377780 BCDLHPBMQRUXRZ-GOSISDBHSA-N 427.552 5.773 30 10 IKEE CCCCCCCCn1cc(OCC(=O)Nc2ccccn2)c(=O)cc1CSC(C)C 1870282647 OGSFHLRIMXSEFR-UHFFFAOYSA-N 445.629 5.263 30 10 IKEE CCCCCCCCn1cc(OCC(=O)N(C)CCCC)c(=O)cc1CSC(C)C 1870286186 GJXQKWOHTCBATP-UHFFFAOYSA-N 438.678 5.488 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(CC)cc2)cn1CCc1ccccc1 1870464076 SYZITXGEUFKTKI-UHFFFAOYSA-N 442.603 5.406 30 10 IKEE CCCCCCCCCCn1cc(OCCCC)c(=O)cc1CNc1ccc(F)cc1 1871112626 LTEJMKHCAKKBFM-UHFFFAOYSA-N 430.608 6.919 30 10 IKEE CCc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCC(C)C)cc1 1871252010 GZQSAJDGXKBGCE-UHFFFAOYSA-N 429.564 5.520 30 10 IKEE CCCCOCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1cccc(Cl)c1)C3=O 1871350841 WVEPFLLXJRQQPY-HMAPJEAMSA-N 441.955 5.623 30 10 IKEE C=CCOc1ccc(C(=O)Nc2ccc3c(C)c(C(=O)c4cccc(OC)c4)oc3c2)cc1 1871359227 WUGFFSXZJVENDT-UHFFFAOYSA-N 441.483 5.798 30 10 IKEE O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O 1871377325 GDDUNRWSPKWGKL-JEUHMODBSA-N 447.830 5.483 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)Oc1cc(C)c2c(c1)O/C(=C\c1ccco1)C2=O 1871383981 ZJIOPCKFPKDURH-MFOYZWKCSA-N 445.254 5.739 30 10 IKEE CC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2Cl)C3=O)c1 1871390243 MDNPIOOBFOVFGU-UUYOSTAYSA-N 448.858 5.409 30 10 IKEE Cc1c(OCCc2ccccc2)ccc2c1O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 1871400098 HEYWZONAXUSXBC-HMAPJEAMSA-N 425.311 6.540 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(O[C@H](C)C(=O)Nc3ccc(C)cc3)ccc2C1=O 1871406963 KOUDEMGJZYQRST-SNNLMFDCSA-N 429.472 5.026 30 10 IKEE CCc1ccc(OCCCOc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871412877 JHTCWDDVQYIOIM-XYGWBWBKSA-N 434.919 6.367 30 10 IKEE COc1ccc(C)cc1NC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O 1871428678 OCMTWQPKYQUWFM-FMCGGJTJSA-N 449.890 5.291 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1ccc2c(c1C)O/C(=C\c1ccc(F)cc1)C2=O 1871429020 DZJNQAWWPGYHRZ-BNDVRQRFSA-N 440.511 6.031 30 10 IKEE CCN(CC)CCOc1cc(C)c2c(c1)O/C(=C\c1cccc(Br)c1)C2=O 1871452020 ZJQFEHPIXVOQBQ-MOSHPQCFSA-N 430.342 5.094 30 10 IKEE C=CCN(CC=C)c1nc(=NCc2cccc(C)c2)nc(Nc2ccc(Cl)c(C)c2)[nH]1 1871663553 DHGABTOUOASBOI-UHFFFAOYSA-N 434.975 5.098 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(N(C)C)cc2)[nH]c(N2CCC(C)CC2)n1 1871695404 ZEKWHGCHCCVDKD-UHFFFAOYSA-N 439.652 5.112 30 10 IKEE C=CCN(CC=C)c1nc(=NCCCCCCCC)[nH]c(=Nc2cccc3ccccc23)[nH]1 1871729844 UAGCXSSYVXSYBF-UHFFFAOYSA-N 444.627 5.563 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)CCC 1871844507 CQYBCAQYOTZRAA-QHCPKHFHSA-N 444.597 5.204 30 10 IKEE CCCOc1c(OC)cccc1-c1nc2ccc(C(=O)Nc3cccc(C#N)c3)cc2[nH]1 1872735039 BNNMAUKVVCNDNK-UHFFFAOYSA-N 426.476 5.151 30 10 IKEE COc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1OC 1872759610 ULXPNDABHHHCIX-NRFANRHFSA-N 440.524 5.984 30 10 IKEE CC(C)COc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)c1 1872773761 XSRNUNDVYZPYOZ-IBGZPJMESA-N 434.517 5.106 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)c3ccc(N(C)C)cc3)n2)cc1C(C)C 1872779818 RVRUFQHVRBALBM-OAQYLSRUSA-N 433.577 5.807 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3cccc(Cl)c3)n2)cc1Cl 1872785475 NUVPEPYHIKJNRK-YERXGYGTSA-N 429.328 6.015 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)Cc2ccccc2Cl)n1 1872785829 AMNQLCJEHWXDRI-INIZCTEOSA-N 431.344 5.853 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)n2)cc1C 1872787662 OWBQSVGECMSZNI-AIADIJKESA-N 433.489 5.233 30 10 IKEE C=CCN(CC=C)C(=O)c1cccc(CSc2nc3ccccc3n2-c2ccccc2)c1 1872887327 RGUAHFQLYWRTEY-UHFFFAOYSA-N 439.584 6.132 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccc(OC)cc2)=C(c2cccnc2)C1=O 1873074636 YXTDSUBLNFBRFR-UHFFFAOYSA-N 449.595 5.101 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCCC)=C(c2c(Cl)cccc2Cl)C1=O 1873093037 NOGOSIUKFBTSNV-UHFFFAOYSA-N 439.427 6.214 30 10 IKEE C=CCn1c(C(=O)Nc2ccccc2C)cc2c(NCc3ccc(Cl)cc3)ncnc21 1873637706 MCPAUIZQNZKNQL-UHFFFAOYSA-N 431.927 5.444 30 10 IKEE CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccc(Cl)c(Cl)c1 1874244121 OWSJOYLPLNQKCV-DHRITJCHSA-N 449.451 6.338 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2C)n1/N=C/c1cccc(OC)c1 1874250344 YNHHDFOSUKILQV-PCLIKHOPSA-N 436.581 5.157 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3Cl)n2/N=C/c2ccc[nH]2)c1 1874275054 SACNFSFIVVYVCG-CVKSISIWSA-N 435.984 5.528 30 10 IKEE Cc1ccc(CSc2nnc(CCCOc3ccccc3)n2/N=C/c2ccco2)cc1 1874315382 PUQLGFODAGKNED-KOEQRZSOSA-N 432.549 5.366 30 10 IKEE CCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874339897 SJLSFNYWVRENOF-SRZZPIQSSA-N 436.324 5.078 30 10 IKEE Cn1cccc1/C=N/n1c(CCc2cccs2)nnc1SCc1ccc(Cl)cc1 1874372135 JVHINGWOIWIXKO-OEAKJJBVSA-N 442.013 5.291 30 10 IKEE COc1ccccc1/C=N/n1c(Cc2ccc(C)cc2)nnc1SCc1ccc(F)cc1 1874388359 IMTPEFQCXPRIDF-JVWAILMASA-N 446.551 5.500 30 10 IKEE Oc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccc(Cl)cc2)cc1 1874404864 SWFVCFSAUHLENG-WGOQTCKBSA-N 448.979 5.597 30 10 IKEE C=CCSc1nnc(CC2CCCCC2)n1/N=C/c1ccc(OCCCC)c(OC)c1 1874409028 BVODNHKROUGKDL-XIEYBQDHSA-N 442.629 5.749 30 10 IKEE Cc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2cccc(Cl)c2)cc1 1874409700 JHEWRUHNOBREDD-WGOQTCKBSA-N 439.028 6.537 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2C2CCCC2)cc1 1874456071 ZHBHLVJNOCSRAK-LGUFXXKBSA-N 434.609 5.942 30 10 IKEE COC(=O)c1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CCC2)cc1 1874497352 GHLXSQXPSPMZOK-ZMOGYAJESA-N 440.956 5.160 30 10 IKEE COCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874506223 SQNQGKWADPCNMD-ZMOGYAJESA-N 428.989 5.550 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccccc2Cl)c1OCc1cc(C)ccc1C 1874575150 YHWNFQAPCUZZHP-ZHACJKMWSA-N 441.354 7.094 30 10 IKEE O=C(COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(F)cc1F)Nc1ccccc1 1874576934 NTABWFJNNPSCJQ-BUHFOSPRSA-N 443.449 6.032 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3ccccc3c2/C=C/C(=O)c2ccc(C)cc2C)cc1 1874578949 OOQSVDZCIMTWPN-FOCLMDBBSA-N 449.550 6.679 30 10 IKEE Cc1ccccc1NC(=O)COc1ccccc1/C=C/C(=O)c1ccc(C(C)(C)C)cc1 1874582048 SZSOXPHSXDRXAX-OBGWFSINSA-N 427.544 6.206 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(C(C)C)cc2)c1OCc1cccc(F)c1 1874583709 BUHMDPPESMBSNH-VAWYXSNFSA-N 438.926 7.086 30 10 IKEE CCN(CC)C(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(OC)c(C)c1C 1874586345 JSUKGDHGLGUBHO-FYWRMAATSA-N 445.559 5.609 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1nccs1 1874616307 SDRXXJAITGYZFO-VMPITWQZSA-N 442.924 5.027 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)c1OCC(=O)Nc1ccccc1 1874617246 RVCYAJCZFGKRNO-VAWYXSNFSA-N 449.934 5.879 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1Cl 1874625423 DKIHPAHUDINDCU-WTDSWWLTSA-N 431.290 6.616 30 10 IKEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)cc1 1874628701 RBXOBPRMYBGHFI-DHZHZOJOSA-N 436.335 5.145 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OCC(=O)Nc2cc(C)ccc2C)cc1 1874629707 PRXVQEAQCHJYQU-JLHYYAGUSA-N 443.543 5.842 30 10 IKEE CCCOc1c(Br)cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc1OC 1874636752 QTEYRCCIDNTTGJ-BQYQJAHWSA-N 433.342 5.768 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(F)c(C)c3)c2)cc1 1874703833 JLXRGDWFKFQBNR-XNTDXEJSSA-N 432.491 6.103 30 10 IKEE COc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc(C)c(C)c3)ccc2OC)cc1OC 1874713833 PWOAUIYFZXMVHD-YRNVUSSQSA-N 446.499 5.445 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(Cl)cc3)c2)cc1C 1874717827 MBHIAAYVNAFDAX-FMIVXFBMSA-N 434.919 6.010 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc(F)c2)c(Cl)c1)c1ccc2ccccc2c1 1875096513 RIPRPIYDRHDSQD-XYOKQWHBSA-N 430.862 6.748 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(C)c3)c(OC)c2)cc1OC 1875103482 AUWUZRSGIYMUHE-DHZHZOJOSA-N 432.472 5.136 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)C(C)C)c(Cl)c2)cc1OCCC 1875123759 CVTGHDDDEZQBTB-JXMROGBWSA-N 444.955 6.375 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)CCc1cccc(OC)c1 1875128636 MPCALLQZRUBZLP-NTCAYCPXSA-N 430.500 5.528 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)c3ccccc3)c(Cl)c2)cc1 1875129793 UIGNHGNSNYOMLK-DWCFMXGVSA-N 434.919 6.344 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(-n2cccc2)cc1 1875136603 RLSVOKKCVCCZPW-VIZOYTHASA-N 437.495 5.910 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3F)c(Cl)c2)c1 1875139699 VPWJZMGEXOHEHH-WEVVVXLNSA-N 426.846 6.350 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2Cl)cc1 1875148566 QBFOVQUZSCOSFB-VIZOYTHASA-N 432.947 7.061 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)c3ccccc3)c(Cl)c2)cc1F 1875152354 AUHNSZJUDOMPKM-KXKDPZRNSA-N 438.882 6.093 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OC(=O)c1ccccn1 1875164976 KMSDBNQZGDKNNL-PKNBQFBNSA-N 445.515 5.646 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)C(C)(C)C)c(OC)c2)c(OC)c1 1875178921 JTCJGWCTQGOAIC-JXMROGBWSA-N 432.900 5.213 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1 1875191076 BUVYDSZGUPFTQK-LFYBBSHMSA-N 429.274 6.177 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@H](C#N)c1c(Cl)ccc(Cl)c1Cl 1888328649 ASDHGOJBJHBVFW-MRXNPFEDSA-N 425.743 6.649 30 10 IKEE CCCCCCCCC[C@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)NC 1947443086 VAMZZACPYIOHIM-XMMPIXPASA-N 433.681 5.742 30 10 IKEE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccc(C#N)c1 1984692971 WZWWCGQYMZFBEA-VWLOTQADSA-N 439.515 5.060 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C1(C)C 1987009345 KBSSXRYCVSNZMJ-AOMKIAJQSA-N 435.590 5.071 30 10 IKEE CC#CC[C@@H](NCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071348766 JUDWCAXWPIMKBP-LEAFIULHSA-N 429.560 5.270 30 10 IKEE CC(C)c1nn(Cc2c(F)cccc2C(F)(F)F)c(Br)c1C(F)(F)F 2079798633 HZNJXGMTCAVWGW-UHFFFAOYSA-N 433.165 5.994 30 10 IKEE CCCc1ccc([C@H](n2nc(C(C)C)c(C#N)c2I)C2(C)CC2)cc1 2080042255 FTIDSDSRTGYYGV-IBGZPJMESA-N 447.364 5.825 30 10 IKEE Cc1c(Br)cccc1CC(=O)C=Cc1ccc(NC(=O)OC(C)(C)C)cc1 2143734422 VEKLJJWFKVUPCR-UHFFFAOYSA-N 430.342 5.930 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)C1(C#N)CC2(C[C@H]3CC[C@H]2C3)C1 2156637154 FCOWMEOPMRWGCW-TUKZGULFSA-N 431.374 6.053 30 10 IKEE C[C@@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)Nc1ccc(C#N)c(Br)c1F 2162423437 SNRLZYDIUGYOAN-XCLFUZPHSA-N 440.357 5.345 30 10 IKEE CCN(c1ccc(Br)cc1C#N)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2174815304 RUPFWVZRJYVXFA-JWTNVVGKSA-N 434.378 5.078 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)Nc2cccc(C(F)(F)F)c2Br)C1 2197752882 LVJCDLHXIXDVDW-UHFFFAOYSA-N 449.267 5.020 30 10 IKEE C=CCCCCCCC[C@@H](NC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2220090400 WTBKETQFMXJPSY-SQHAQQRYSA-N 443.676 5.661 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(C)c(Br)c(C)c1 2235612537 POPSDDURXBXXLQ-AZUAARDMSA-N 439.438 5.966 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](CCC(=O)C#Cc2ccccc2Br)C1 2235717266 IYWMLQQZHGJRRL-SJLPKXTDSA-N 434.374 5.233 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)C[C@H](CC(C)C)NC(=O)OC(C)(C)C 2235731382 PYYUJRHRRPDPST-OALUTQOASA-N 437.422 5.108 30 10 IKEE C[C@H](N(Cc1ccccc1)C(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2247861346 JYYVTBHXFOKLCG-KRWDZBQOSA-N 427.419 5.124 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C#N)(Cc1c(Cl)nc(Cl)nc1Cl)C2 2281552756 BIPMVBAWUWPUMH-QWRGUYRKSA-N 431.751 5.051 30 10 IKEE C=C(C)CCCC[C@H](NC)[C@](C)(O)c1cc(Br)c(Br)s1 2287390791 TYRPAPAAQBUCPA-WFASDCNBSA-N 425.230 5.205 30 10 IKEE C#CCN1C(=O)SC(=Cc2cc(CC=C)c(OCc3ccccc3)c(OCC)c2)C1=O 2293441560 MFCQJBVXEFPPQA-UHFFFAOYSA-N 433.529 5.062 30 10 IKEE O=C(C=Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)c1ccccc1 2297149103 YGDXBCKMROYHHD-LJAQVGFWSA-N 428.535 6.938 30 10 IKEE Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)C=Cc1ccc2cccnc2c1 2297421925 PWYPCMVWQCPFOW-UHFFFAOYSA-N 434.926 7.308 30 10 IKEE C=CCc1cc(C=C2SC(=NCC)N(CC)C2=O)cc(OC)c1OCc1ccccc1 2313556631 GNFNUEVPKUBEOA-UHFFFAOYSA-N 436.577 5.315 30 10 IKEE Cc1cc(OCc2ccc(Cl)c(Cl)c2)cc2c1C(=O)C(=Cc1ccc(Cl)cc1)O2 2321787426 BIYQDYPKXINFJE-UHFFFAOYSA-N 445.729 7.150 30 10 IKEE CCOc1cc(C=Nn2c(S)nnc2-c2ccccc2)ccc1OCc1ccc(F)cc1 2321944872 RIQGVVIQCAIZSL-UHFFFAOYSA-N 448.523 5.233 30 10 IKEE COc1cccc(C=Nn2c(S)nnc2CC2CCCCC2)c1OCc1ccccc1 2321958519 AGFFAXCPVHXKRQ-UHFFFAOYSA-N 436.581 5.159 30 10 IKEE Cc1ccc(OCc2nnc(S)n2N=Cc2ccccc2OCc2ccccc2)c(C)c1 2322052070 VUHDFLOXULCTJO-UHFFFAOYSA-N 444.560 5.224 30 10 IKEE CCCCC[C@@H](CC)N1COc2ccc3c(c2C1)OC(=Cc1cn(C)c2ccccc12)C3=O 2322075894 VWDBDGZGQDPZBC-HXUWFJFHSA-N 444.575 6.305 30 10 IKEE COc1ccc(CN2COc3c(cc4c(c3C)OC(=Cc3ccccc3C)C4=O)C2)cc1 2322305420 RRHJDSZVBROUPY-UHFFFAOYSA-N 427.500 5.280 30 10 IKEE Cc1ccc(C=C2Oc3c(cc4c(c3C)OCN(CCc3ccc(C)cc3)C4)C2=O)cc1 2322436550 MREJNNDKNGJXIZ-UHFFFAOYSA-N 425.528 5.623 30 10 IKEE Cc1ccccc1C(=O)Oc1cc(C)c2c(c1)OC(=Cc1ccccc1Br)C2=O 2322681313 YZTXXWBGEODLFO-UHFFFAOYSA-N 449.300 5.901 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O)c1cc2cc(Cl)ccc2o1 2322844904 UHQYFKQIQURNFQ-UHFFFAOYSA-N 434.806 6.061 30 10 IKEE COc1ccc(NN=Cc2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1 2323069086 RSILRSMAJWDHOM-UHFFFAOYSA-N 441.325 5.491 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OC(=O)Cc4ccccc4[N+](=O)[O-])c3C)C2=O)cc1 2323395921 YEFUFRGJHVAWPD-UHFFFAOYSA-N 443.455 5.230 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 2323675851 UOYOOPUSHXFXDU-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE C[C@@H]1C[C@@H](C)CN(Cc2c(O)ccc3c2OC(=Cc2cccc(Br)c2)C3=O)C1 2324054965 UTYMRLOQCFREDN-HUUCEWRRSA-N 442.353 5.249 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2Cl)Oc2cc(OCCOc3ccccc3)ccc21 2324220044 FIMAKMUJQZITTI-UHFFFAOYSA-N 427.283 6.067 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2324378678 WUDXOHSLCQHYTB-KRWDZBQOSA-N 447.918 5.979 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc([N+](=O)[O-])cc3)n2)cc1 2324405790 ZWNLSVCDWNYJQZ-NRFANRHFSA-N 431.517 5.951 30 10 IKEE Cc1cccc(COc2ccc(C=CC(=O)c3c(C)cc(C)cc3C)cc2Br)c1 2324553368 HYZQTDHFSJINLK-UHFFFAOYSA-N 449.388 7.158 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2OC)ccc1OCCc1ccccc1 2324706285 KPXMFLDALPNIFU-UHFFFAOYSA-N 436.935 6.265 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@@H](C#N)C(=O)C=Cc2ccc(Cl)cc2)n1 2324773980 KILABTSQXHVTBW-KRWDZBQOSA-N 443.355 6.324 30 10 IKEE O=C(C=Cc1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc(N2CCCCC2)cc1 2325669523 PZXCRRJASSBQFU-UHFFFAOYSA-N 440.543 5.477 30 10 IKEE Cc1c(OCCN2CCCCC2)ccc2c1OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2325701714 SXPBTEZDPMKSSS-UHFFFAOYSA-N 432.347 5.783 30 10 IKEE Cc1cccc(C)c1OCCCC(=O)Oc1cccc(C=CC(=O)c2ccc(Cl)cc2)c1 2325730398 UVWQRICXKWZAHH-UHFFFAOYSA-N 448.946 6.618 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cccc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2)c1 2325740852 UTPALAHQQSVOLP-UHFFFAOYSA-N 435.863 5.980 30 10 IKEE CCCCCCCCC(=O)Oc1cccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)c1 2325765890 DJGILEXZLKCKJS-UHFFFAOYSA-N 434.620 7.845 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cccc(Cl)c1Cl 2326357958 USWIMNISSSNYLQ-UHFFFAOYSA-N 425.772 5.975 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C)n2N=Cc2c(Cl)ccc(Cl)c2Cl)c1 2326589514 XQKYWLKUIKXPLO-UHFFFAOYSA-N 439.799 6.338 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CCc2cccc3ccccc23)nnc1SCC 2326589580 UQAJWQRDHAJRMN-UHFFFAOYSA-N 442.588 5.776 30 10 IKEE CCCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc(C(C)C)cc1 2326618204 ATBRYMOINHFUFS-UHFFFAOYSA-N 442.632 6.724 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2C)n1N=Cc1c(F)cccc1Cl 2327114308 SWCIUVMEYWFYBX-UHFFFAOYSA-N 444.963 5.551 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1cc(C)ccc1O 2327549095 PVFPZFFEAHNYMF-UHFFFAOYSA-N 428.945 5.075 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccncc2)cc1C 2328939826 VAIPTUNUQDEWEQ-UHFFFAOYSA-N 445.567 5.389 30 10 IKEE Cc1ccc(C=Nn2c(Cc3ccc(Cl)cc3)nnc2SCc2ccccc2)cc1 2329101092 RKBCCTGPQPCQJQ-UHFFFAOYSA-N 432.980 6.005 30 10 IKEE Cc1ccc(CSc2nnc(CCOc3ccccc3)n2N=Cc2ccc(F)cc2)cc1 2329148689 AKYAGCNXPFRABK-UHFFFAOYSA-N 446.551 5.522 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@H](NC(=O)C=Cc3cccc(F)c3)C2)c1 2329377587 ZNKHUMXKKWUQSZ-DEOSSOPVSA-N 449.570 5.098 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccc(F)cc3)n2N=Cc2ccccn2)c1 2329842572 NDSDPYUBPMSOEW-UHFFFAOYSA-N 431.540 5.194 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2)n1N=Cc1cccc(Cl)c1 2330108559 UHZAWOAQZJTSTE-SFHVURJKSA-N 432.980 6.258 30 10 IKEE COc1cc(C=Nn2c(SCc3ccccc3C)nnc2-c2cccs2)ccc1O 2330537263 VUTRBOAOSAMUPJ-UHFFFAOYSA-N 436.562 5.204 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1ccccc1 2330609304 WSTRPYIWQYKGSA-UHFFFAOYSA-N 448.518 6.868 30 10 IKEE CCOc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccc(Cl)cc2)cc1 2330867343 WZMSAXQSZBGCQN-UHFFFAOYSA-N 443.016 6.093 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Br)c2)cc(Cl)c1OC(=O)C(C)C 2330993553 YTLOHEQVFLKZBU-UHFFFAOYSA-N 437.717 5.569 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cccc(Cl)c3)cc2Cl)cc1C 2331123303 FNJAUGWPDWAVIE-UHFFFAOYSA-N 425.311 6.726 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccs2)c(Br)c1)c1cccc(Cl)c1 2331123588 SYKVYLWFUDNPLQ-UHFFFAOYSA-N 447.737 6.279 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2ccccc2F)nnc1-c1ccco1 2331206780 JQZWOHIACXFLHB-UHFFFAOYSA-N 436.512 5.641 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc([N+](=O)[O-])c1OC(=O)C1CCCC1 2331326085 YNZPHIIJJIIBOG-UHFFFAOYSA-N 437.492 5.602 30 10 IKEE CCSc1nnc(C2CCC2)n1N=Cc1ccccc1OCc1ccccc1Cl 2331507826 BNBPUYAOMJEBIO-UHFFFAOYSA-N 426.973 5.772 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)cc(Cl)c1OC(=O)C1CC1 2331618497 RUSOEHHPAUHMHH-UHFFFAOYSA-N 428.912 5.576 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)c(OC)cc2C)ccc1OC(=O)c1ccc(C)cc1 2331852025 XHWYFICXKHCFJV-UHFFFAOYSA-N 444.527 6.134 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2OC)cc([N+](=O)[O-])c1OC(=O)C(C)C 2331877404 FDELXNRAGQMSAJ-UHFFFAOYSA-N 447.871 5.113 30 10 IKEE C[C@H](Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCN(Cc2ccccc2)C1 2339545453 WOEQDXBCBNCCNX-NZQKXSOJSA-N 433.405 5.049 30 10 IKEE CC1(C)OB(C=Cc2ccc(N[C@@H]3CCN(Cc4ccccc4)C4(CC4)C3)nc2)OC1(C)C 2365056021 ZFXLRLPPTYXTRQ-HSZRJFAPSA-N 445.416 5.335 30 10 IKEE COc1ccccc1/N=C1/C(=O)N(CN2CCC(Cc3ccccc3)CC2)c2ccccc21 2247672 YLNFZQMYLJAABO-ORIPQNMZSA-N 439.559 5.075 30 10 IKEE CC(C)(C)c1cc(/C=N/c2nc3ccccc3n2Cc2ccccc2)cc(C(C)(C)C)c1O 15773654 WDNQYDNLIWCOLB-UXHLAJHPSA-N 439.603 7.136 30 10 IKEE Clc1ccccc1COc1ccccc1/C=N/Nc1n[nH]c(SC2CCCCC2)n1 21083311 KINDYONFEHOBEL-ZVHZXABRSA-N 441.988 5.908 30 10 IKEE O=C1C[C@@H](c2ccccc2Cl)CC2=C1[C@@H](c1c[nH]c3ccccc13)Nc1ccccc1N2 21223418 MKDXKLPBPOAZEA-RKOGDMNLSA-N 439.946 6.801 30 10 IKEE CCc1ccccc1NC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1 21356081 UGITXKOPXMTIIX-VWLOTQADSA-N 443.572 6.523 30 10 IKEE CC(C)(C)[C@@H]1CCc2nc(SC/C=C/c3ccccc3)c(C#N)c(C(F)(F)F)c2C1 27751135 MREORCRZXXGOLC-PYUISTEWSA-N 430.539 6.929 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O)c1ccccc1F 33368914 XHPLWJXFAAXSTG-JMIUGGIZSA-N 429.230 5.968 30 10 IKEE C=CCNC(=O)[C@H](C)Oc1ccc2c(c1)[C@@H](c1ccccc1)N(Cc1ccccc1F)CC2 34667497 YPWTUUKWFBFQLO-CCLHPLFOSA-N 444.550 5.043 30 10 IKEE C=C[C@](C)(O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(C)cc1)CC1CC1 36346832 IYZFTIUBGSOPEM-NDEPHWFRSA-N 445.607 5.684 30 10 IKEE Cc1ccc(C)n1-c1ccc(/N=C/c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)cc1 59250348 OKWZJUVKVGQGMQ-RWPZCVJISA-N 445.950 6.604 30 10 IKEE C=C(C)COc1ccccc1NC(=O)CNc1cccc(C(=O)N(CC)c2ccccc2)c1 66090806 MLGHPMQUASHXLL-UHFFFAOYSA-N 443.547 5.359 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2 100348900 DOIJMOAFZJZRSY-MRJKTFCFSA-N 449.591 6.796 30 10 IKEE CN1/C(=C/C(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)C(C)(C)c2ccccc21 102408442 JIGZDXOYCFNJHA-YBFXNURJSA-N 425.535 5.177 30 10 IKEE CCCCCCCCOc1ccc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cc1 103743583 OJTZFKCXMUKUKM-OQKWZONESA-N 443.609 6.971 30 10 IKEE CN(C)c1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2ccccc2)cc1 169953359 OWGNNCHEJLKGMA-SANMLTNESA-N 448.522 5.689 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2cccc(C)c2)cc1 170028530 WPEYYYQEQJBOIH-SANMLTNESA-N 441.527 5.496 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccccc2F)cc1 170069925 AUTSGEIUBRMTRF-XMMPIXPASA-N 429.491 5.788 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1cccc(O)c1)c1ccc(Cl)cc1 170081114 OXBDLDFLZXEOCD-HXUWFJFHSA-N 440.282 5.482 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2cccs2)c1 170155270 HIVHBFJLGZLXAN-OAQYLSRUSA-N 437.492 5.459 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(C4CCCCC4)[C@H]3c3cccs3)oc12 170164015 JYFQSEZGBGYQHI-FQEVSTJZSA-N 437.517 5.414 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1ccccc1 170228934 LUPRMOVTUQZZTR-HSZRJFAPSA-N 443.886 6.178 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1 170230563 WUIXAVYGMMDELB-HXUWFJFHSA-N 437.879 5.029 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccccc1F)c1c[nH]c2ccccc12 170246739 XDRBUDATZPMJRH-OAQYLSRUSA-N 432.476 5.147 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)c(Cl)c2)=C(O)C(=O)N1C1CCCC1 170278437 PZSRIDRISORMEY-HXUWFJFHSA-N 430.331 5.823 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C(C)(C)C)ccc3C)[C@H]2c2ccco2)cc1C 170285066 KSLJAQPHNUVOHY-XMMPIXPASA-N 443.543 6.285 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1sccc1C 170315276 ZCQRGYKUKVUDIR-OAQYLSRUSA-N 449.528 5.165 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1Cc1cccnc1 170316861 HUSMYBSEGYECIS-QFIPXVFZSA-N 444.556 5.109 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2c(C)[nH]c3ccccc23)c1 170403233 QXKSBSYDZZPCSR-RUZDIDTESA-N 436.511 5.876 30 10 IKEE O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cc(-c2ccncc2)nc2ccccc12 247755477 WVTNBZBMVCPODS-UHFFFAOYSA-N 426.479 5.344 30 10 IKEE O=C(OCc1ccccc1)N1C[C@@H](CS)[C@@H](c2cc(Br)ccc2Cl)C1 382693916 OVTMCNXJUWOUTK-YOEHRIQHSA-N 440.790 5.385 30 10 IKEE N#Cc1ccc(Nc2ccc(I)cc2Br)c(Cl)c1 384996157 RPLLWSZGOXIHQE-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(/C=C\C(=O)c2c(F)ccc(F)c2Br)cc1 406115908 QNQPYCWIPCXCMU-WDZFZDKYSA-N 438.268 5.970 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccc(Cl)c2)c1 526514446 FPPUFSIOFSDDBM-XMMPIXPASA-N 444.918 6.058 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2sccc2C)c1 526605860 USTIKMPSSLQHNU-QHCPKHFHSA-N 444.556 6.164 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1ccc(N(CC)CC)cc1 526823476 VPPOVNCGZQOAFG-IMRQLAEWSA-N 446.624 5.513 30 10 IKEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1cn(C)c2ccccc12 526829764 ZGEXMCVFXZPRPU-OYKKKHCWSA-N 448.552 5.195 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(/C=C/C(=O)c2ccc(Br)c(F)c2F)cc1 689598864 ICYJQOAUIHZFBS-IZZDOVSWSA-N 438.268 5.970 30 10 IKEE COc1nsc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2C)c1Br 690136981 LZNCIMXLFJOELX-CYBMUJFWSA-N 438.347 5.229 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(F)ccc1Br 698483162 ARPUUOSXKZTCLW-KRWDZBQOSA-N 435.293 5.603 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@](C)(C#N)Cc1ccc(Br)cc1 698857993 VGUKZQOZHLCYCX-JOCHJYFZSA-N 435.406 6.234 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@@](C)(C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 699669620 WVEIHPBWLJHCTJ-KBMIEXCESA-N 449.636 5.876 30 10 IKEE C=C(C)CNC(=S)/C(=C(/O)c1cccc(C(F)(F)F)c1)[n+]1ccc2c(c1)CCCC2 783693032 PZKQBYRUGIKDES-UHFFFAOYSA-O 433.519 5.249 30 10 IKEE Fc1ccc(CSc2n[nH]c(NN=Cc3ccccc3OCc3ccccc3)n2)cc1 1084312663 HMFWQRSCJLSJJW-UHFFFAOYSA-N 433.512 5.261 30 10 IKEE O=C1C=C(NCCCCNC2=CC(=O)C[C@H](c3ccccc3)C2)C[C@H](c2ccccc2)C1 1088709289 JPPDHEABUZZDRS-PSWAGMNNSA-N 428.576 5.007 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)SC1=Nc1ccccn1 1772732221 VKLLJJHJVWNEEA-ZJRBDENDSA-N 449.963 5.938 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(C(=O)OC)cc2)SC1=Nc1nc(-c2ccccc2)cs1 1772735107 GUCSEAKTEOFRKS-GKJKXNJGSA-N 449.557 5.221 30 10 IKEE COc1cc2cc(C#N)c(SCC(=O)Nc3cc(Cl)cc(Cl)c3)nc2cc1OC 1858204901 ZTOUATGFSCXNRW-UHFFFAOYSA-N 448.331 5.161 30 10 IKEE CCOc1ccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)nn2Cc2ccc(F)cc2)cc1 1859406951 BYCFKVWBBSGDAK-UHFFFAOYSA-N 440.478 5.260 30 10 IKEE CC(C)N(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1 1859893225 INNOTTJOWDBRNS-UHFFFAOYSA-N 443.309 6.798 30 10 IKEE O=C(/C=C/c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 1860726345 NMSWHTJGGJKDEL-NTUHNPAUSA-N 426.299 5.793 30 10 IKEE CCCOc1ccc(/C=C/C(=O)C(=O)Nc2ccc(C)c(Br)c2)cc1OCC 1860728658 RTECHJJCLQHCSY-JXMROGBWSA-N 446.341 5.166 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)c1ccc2nc(C)c(C)nc2c1 1861396232 LVYLFWXRBHZGSH-JOCHJYFZSA-N 426.605 5.012 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)CC1CCCCC1 1861460565 AIHGZJSOUZBLON-RUZDIDTESA-N 428.661 5.941 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(F)cc2)cc1 1862390814 MQMGWZXTKXVNNM-DEOSSOPVSA-N 435.539 6.079 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CCCCC2)cc1 1862415237 SDXWQMGHDZENPG-QHCPKHFHSA-N 439.502 5.999 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1c(F)cccc1Cl)c1ccc(F)cc1F 1862420195 FEYIMDMREZHKLZ-HXUWFJFHSA-N 449.856 5.668 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(N(C)C)cc1 1862433882 NQVWAMMVPSBDMO-NRFANRHFSA-N 426.944 5.175 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccccc1 1862442383 RQTSQJKRPUVBQS-OAQYLSRUSA-N 427.928 5.125 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(C)cc1 1862486839 MIFOMBYWYCIAAD-RCZVLFRGSA-N 433.592 6.549 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccc(O)cc2)c1 1862490392 UPXKWLZYDPSRCS-HOYKHHGWSA-N 427.500 5.349 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(F)cc1 1862524715 LNJSERGWUCKZQE-LJQANCHMSA-N 446.316 5.213 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2c(F)cccc2Cl)cc1 1862530909 AOVHPTNTHZTBCX-OAQYLSRUSA-N 439.870 5.413 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(Br)cc1 1862540192 IMKHQBUYQUNFIB-FQEVSTJZSA-N 442.353 5.390 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1 1862541313 IYVSSQQGSRNTLW-VWLOTQADSA-N 441.527 5.426 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CC(C)C)c1 1862582449 FCKOVPSATDVVAY-HXUWFJFHSA-N 448.346 5.626 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C2CCCCC2)cc1 1862601017 UKLIALILEGQQJK-XMMPIXPASA-N 448.563 5.149 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1cccc(O)c1)c1cccc2ccccc12 1862649395 XFKFCIOWONAZOD-VWLOTQADSA-N 435.479 5.324 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc(Cl)c1 1862652295 FYEZCXSUVUISCO-QHCPKHFHSA-N 433.935 6.118 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862664019 VFYQSXHLYWRYSG-VWLOTQADSA-N 447.575 6.120 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C(C)C)cc1 1862667553 FADZMRMEOOGMML-XMMPIXPASA-N 434.580 5.643 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CC(C)C)cc1OC 1862668645 DIMLTBKHEXMBIJ-QHCPKHFHSA-N 437.536 5.062 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C2CCCCCC2)c1 1862676668 OLQKCYKZIUEUMD-HSZRJFAPSA-N 437.511 5.526 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2C2CCCCC2)cc1 1862695934 KIHPGAFSMVKZIE-DEOSSOPVSA-N 449.547 5.395 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(C(C)C)cc1 1862714262 IACRWWLQMXGGQJ-AVRWGWEMSA-N 427.544 6.340 30 10 IKEE Cc1ccc(C)c(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1862798618 OOAFZMGLOAEPJV-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCc2ccccc2)=C(c2cc(C)ccc2C)C1=O 1863741018 FINFPBVHHYAWAC-UHFFFAOYSA-N 446.635 5.966 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H](C)c2ccc(OC)cc2)=C(c2cccs2)C1=O 1863805368 UHZIZMYZAYDAFE-SFHVURJKSA-N 440.609 5.548 30 10 IKEE CCCC[C@@H](NC(=O)C[C@@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866747663 YFEBLOFFONYLCT-CLJLJLNGSA-N 447.623 6.125 30 10 IKEE CC[C@@H](C(=O)N[C@H](C(=O)Nc1ccc(C#N)cc1)c1ccccc1)c1ccc(Cl)cc1 1866953411 ZILUGEHZXQRXBM-PKTZIBPZSA-N 431.923 5.201 30 10 IKEE CCCCCCCCCCNC(=O)CCC(=O)N1CCC[C@H]1c1nc2ccccc2s1 1868195252 VXBQVRBANHYWPC-NRFANRHFSA-N 443.657 5.997 30 10 IKEE CC1(C)CN(c2cc(Nc3ccc(C#N)cc3)nc(Cc3ccccc3)n2)c2ccccc21 1868219708 IFVLQTAJBQLHCF-UHFFFAOYSA-N 431.543 6.112 30 10 IKEE C=CCOc1cn(CCCCCCCC)c(CSc2nc3ccccc3s2)cc1=O 1870244595 XZFNTQFZKNFVQS-UHFFFAOYSA-N 442.650 6.676 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(Cl)cc2)c(=O)cc1CN1CCCCC1 1870439440 XVUHZPXAWHEVNB-UHFFFAOYSA-N 445.047 6.427 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3cccc(Cl)c3)CO4)C2=O)cc1 1871347970 HORVKCSKDVKIDE-CFRMEGHHSA-N 431.919 5.871 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OC(=O)/C=C/c4cccs4)ccc3C2=O)c1OC 1871380076 VGWXKNQWXPYYLP-BGVJUERLSA-N 434.469 5.000 30 10 IKEE Cc1c(OC(=O)c2cc(Cl)ccc2Cl)ccc2c1O/C(=C\c1cccnc1)C2=O 1871380811 CXPYIBANANYZCO-OCKHKDLRSA-N 426.255 5.532 30 10 IKEE Cc1ccc(/C=C2\Oc3c(CN4C[C@@]5(C)C[C@H]4CC(C)(C)C5)c(O)cc(C)c3C2=O)cc1 1871394245 MVLSSIKCVDFCNB-LYWBRZNZSA-N 431.576 6.026 30 10 IKEE CCOc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1cccs1)C2=O 1871403141 SSVCDYJWUMRUNZ-LRSOKBAUSA-N 449.528 5.477 30 10 IKEE Cc1ccc(OCCOc2ccc3c(c2)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)cc1 1871404603 AALSVMFVZOENAV-ONUIUJJFSA-N 428.528 6.367 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871411709 PKYZPPILNJEXIP-PDESAOGPSA-N 445.490 5.719 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)CCCC 1871806562 XWIRHIOOLJGKTR-IBGZPJMESA-N 448.551 5.067 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccccc1)S(=O)(=O)c1c(C)cc(C)cc1C 1872136126 DJJALLGDGUNPHP-HSZRJFAPSA-N 442.625 5.376 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)[C@@H](C)CC)S(=O)(=O)C1CC1 1872339731 UNCCMBVVNYQHTM-YADARESESA-N 448.673 5.657 30 10 IKEE Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Br)cc3)cs2)ccc1[N+](=O)[O-] 1872764723 WGRHATBFJNIUBN-HNNXBMFYSA-N 442.294 5.279 30 10 IKEE N#C[C@@H](C(=O)/C(=C\c1ccccc1)c1ccccc1)c1nc(-c2cccc(Cl)c2)cs1 1872766638 MQBAEHGGPRKQCM-SINAZASISA-N 440.955 6.881 30 10 IKEE CCCOc1ccc(CC(=O)[C@H](C#N)c2nc(-c3cc(OC)ccc3OC)cs2)cc1 1872770991 JJAGAXUTRZZIQO-FQEVSTJZSA-N 436.533 5.035 30 10 IKEE CCOC(=O)Oc1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1 1872778488 MDNZBFMJMZWERL-HXUWFJFHSA-N 448.544 6.069 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3cccc4ccccc34)n2)c(OC)c1 1872783531 BWCSDUAYHKVMID-OAQYLSRUSA-N 428.513 5.399 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(Cl)cc3)n2)c(OCC)c1 1872784209 PYCXAUOTDACPAB-LJQANCHMSA-N 440.952 5.680 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(F)c(F)c3F)n2)c(OCC)c1 1872784775 XIPMCDNDZYNPNJ-OAHLLOKOSA-N 446.450 5.515 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C(C)=O)cc2)=C(c2ccccc2F)C1=O 1873189094 NDDBJTBJLXGPRB-UHFFFAOYSA-N 436.527 5.581 30 10 IKEE CCOc1ccccc1OCc1nnc(SC)n1/N=C/c1ccc(Cl)cc1Cl 1874239701 UYTKBMFVXVDDOJ-SSDVNMTOSA-N 437.352 5.167 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2/N=C/c2ccc(OC)c(OC)c2)CC1 1874287430 DVXJNPBDNWDDJR-KOEQRZSOSA-N 444.645 6.144 30 10 IKEE CCCCC1CCC(c2nnc(SCCO)n2/N=C/c2c(F)cccc2Cl)CC1 1874289097 OPXMLLJWTUNBRP-ZVHZXABRSA-N 439.000 5.501 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1cccc(OCC)c1 1874320578 YXLPGBALSPOXQF-AFUMVMLFSA-N 436.581 5.423 30 10 IKEE Cc1cccc(OCc2nnc(SCCc3ccccc3)n2/N=C/c2ccccc2)c1C 1874324377 CBDRUNKAZCZINI-OVVQPSECSA-N 442.588 5.691 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3cccs3)n2/N=C/c2ccccn2)c1 1874371131 KRERNUZKSBLVPM-MFKUBSTISA-N 433.606 5.311 30 10 IKEE Cc1cccc(/C=N/n2c(COc3ccccc3)nnc2SCc2cc(C)ccc2C)c1 1874384285 IDFRSRPARFRIIW-JVWAILMASA-N 442.588 5.957 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3Cl)n2/N=C/c2ccc(O)cc2)cc1 1874389254 LHJVSQVSCRAZIL-CVKSISIWSA-N 448.979 5.711 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@H](C)c3ccccc3)n2/N=C/c2cccc(O)c2)c1 1874395355 KTBZTWWETXHJQG-CSWGWEJPSA-N 442.588 5.927 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc[nH]1 1874397610 DXUJACNYFXHEKT-PBEVGHANSA-N 439.947 5.725 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2ccccc2C)c(C)c1 1874457813 JCWLBELJBZEECF-CVKSISIWSA-N 447.608 5.474 30 10 IKEE Fc1ccccc1CSc1nnc(-c2ccco2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874466568 QFDPIDVTKIRDAJ-RPPGKUMJSA-N 446.429 5.871 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1ccc(Cl)cc1Cl 1874475606 JKLSNNCMSUEKMV-ZMOGYAJESA-N 433.408 6.410 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2ccc(F)cc2)nnc1C(C)(C)C 1874483182 INVWDMNJZIKSFT-MFKUBSTISA-N 426.561 5.678 30 10 IKEE COCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(F)cc1F 1874506251 UKSROWJKVJKVPA-LIMNOBDPSA-N 443.306 5.184 30 10 IKEE Cc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874530272 ZYCBUYHUGMRFDZ-CVKSISIWSA-N 432.524 5.479 30 10 IKEE COc1cc(/C=N/n2c(S)nnc2CC(C)(C)C)ccc1OCc1ccc(Cl)cc1 1874560277 PJFYXLMNTNOKDM-ZMOGYAJESA-N 444.988 5.279 30 10 IKEE Cc1cc(OCc2nnc(S)n2/N=C/c2ccc(Cl)c(Cl)c2)ccc1Cl 1874568169 KQUPCGDNUDQKSQ-ODCIPOBUSA-N 427.744 5.297 30 10 IKEE Cc1cccc(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc3ccccc3c2)c1C 1874571452 NYSIYLXDSSXOAI-WUKNDPDISA-N 435.523 6.370 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCC(=O)Nc3ccccc3)ccc3ccccc23)cc1 1874574840 IMXRTMUUUKJUFE-WUKNDPDISA-N 437.495 5.762 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(C)cc2C)cc1 1874578758 FMFKXEDTEORGKH-KPKJPENVSA-N 433.935 6.179 30 10 IKEE Cc1ccc(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1C 1874582044 SWFHTSQSPSXWDU-GHRIWEEISA-N 441.571 6.515 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2Cl)cc(OC)c1OCc1cccc(C)c1 1874608345 JINGMEJVGURFTO-BUHFOSPRSA-N 432.947 6.861 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1)NCc1ccccc1 1874615661 JWMUXXJBQQHTLW-MDWZMJQESA-N 440.326 5.585 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1F 1874623503 GFXJRALSDJVCPS-JXMROGBWSA-N 426.871 5.971 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OCc1c(Cl)cccc1Cl 1874625525 IZTNMWJFFKLUMN-VZUCSPMQSA-N 431.290 6.616 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1874629480 FPFMPVJFISWTIG-IZZDOVSWSA-N 441.354 7.094 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2ccc(OCc3cccc(F)c3)cc2)cc1Cl 1874637134 KKYVWHCLRDSZDU-JXMROGBWSA-N 431.290 6.616 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccccc2-c2ccccc2)c1)c1ccc2c(c1)OCO2 1874707767 WEWZLIMYLWQZSX-FYWRMAATSA-N 448.474 6.198 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1OC 1875096726 BWGQGIUYRFZIPY-JLHYYAGUSA-N 426.940 6.219 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1Cl)c1cnccn1 1875104763 MZGFABJMKQZBNX-ORCRQEGFSA-N 433.678 5.552 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Br)c2)cc(OC)c1OC(=O)CC(C)C 1875114656 PGKCLNFHSDZEMU-CMDGGOBGSA-N 447.325 5.314 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)cc2)c(C)c1 1875131164 KQDPZFIGQCQASW-WUXMJOGZSA-N 425.311 6.726 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc4ccccc34)c(Cl)c2)cc1 1875133080 CZFYSIUAPGIQLG-RVDMUPIBSA-N 426.899 6.917 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cccs3)c(Br)c2)cc1 1875133363 RCPCGCYAYOLVMC-UXBLZVDNSA-N 441.346 5.863 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1ccc(Cl)cc1 1875136563 PYZPITTUPBMNNY-OVCLIPMQSA-N 446.930 6.501 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)Cc1ccccc1F 1875136775 JVDCZGVAJCGUCO-NTCAYCPXSA-N 444.502 5.915 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 1875137032 SCWZTSRVEOGRHN-NTUHNPAUSA-N 445.471 5.726 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)Cc1cccs1 1875149452 QKTBEVUZFJGXCQ-RIYZIHGNSA-N 448.584 6.489 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OC(=O)CC1CCCCC1 1875154373 BDZTXUJGVRWXPK-JQIJEIRASA-N 428.528 6.620 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(Cl)c1OC(=O)C1CCCC1 1875155389 VSTVPNZEINTQGG-CCEZHUSRSA-N 448.946 6.884 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H]3CCCO3)c(Cl)c2)c(OCC)c1 1875177355 HNBFXACMGANMFE-NDEHPHGNSA-N 444.911 5.118 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)c3ccccc3)c(Cl)c2)c(C)c1 1875183392 YIXYQSXVIHOOSU-ZAHGZRRWSA-N 432.947 6.870 30 10 IKEE C=CCn1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc2c(NCCC)ncnc21 1875226388 BSZPUQRRVVENSV-UHFFFAOYSA-N 439.563 5.282 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@](C#N)(C1CCC1)C(F)(F)F 1892917172 OIUBHPXZWDNSLA-QGZVFWFLSA-N 433.268 5.815 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](O)c1c(Cl)cccc1Br 1922047995 XKYSCNBWXJTHGT-LEWJYISDSA-N 438.793 5.277 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1cccc2c1OCCN2C(=O)OC(C)(C)C 1922125549 NZWFOIAXRFKGTE-HSZRJFAPSA-N 438.568 5.244 30 10 IKEE CC(C)C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(CC1CC1)C(=O)OC(C)(C)C 1944806529 NCCOGVCICCAFJX-YADARESESA-N 435.609 5.199 30 10 IKEE CC(C)[C@H](COc1cc(C#N)cc(Cl)n1)N(Cc1ccccc1)C(=O)OC(C)(C)C 1986473274 NHJRUOFRSVNHJF-IBGZPJMESA-N 429.948 5.447 30 10 IKEE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)C1=CC[C@H](C(C)(C)C)CC1 2010730547 ZPJRICIMHQLZOZ-VXKWHMMOSA-N 429.601 5.828 30 10 IKEE CCCCCCCCCC[C@H](NCC)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2034441928 XRKYYBDOVJYODY-LOSJGSFVSA-N 448.692 6.605 30 10 IKEE Cc1cc(C)cc(NC=Cc2nc3c(c(-c4ccccc4F)c2C#N)C(=O)c2ccccc2-3)c1 2040750533 YVRRLGLZKDJPAI-UHFFFAOYSA-N 445.497 6.670 30 10 IKEE C=C(C[C@H](NC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)OC 2071344144 JKZSDLKOFIIHLM-RPLLCQBOSA-N 433.548 5.016 30 10 IKEE Cc1ccc([C@@H](n2nc(C3CC3)c(C#N)c2I)C2(C)CC2)cc1C 2079116854 USWBPXOVMKDTAX-GOSISDBHSA-N 431.321 5.243 30 10 IKEE CC(C)[C@@H](c1ccc(C(F)(F)F)cc1)n1nc(C2CC2)c(C=NO)c1Br 2079854511 JQSMEKIVGLPFJI-INIZCTEOSA-N 430.268 5.595 30 10 IKEE CCOc1ccc([C@@H](C2CCC2)n2nc(C(F)F)c(C=NO)c2Br)cc1 2080117497 FWAADOCRRDENDO-MRXNPFEDSA-N 428.277 5.180 30 10 IKEE N#Cc1c(C2CCCCC2)nn2c(Cl)cc(-c3cc(F)cc(Br)c3)nc12 2081165322 NPLOZUHKNWGHLQ-UHFFFAOYSA-N 433.712 5.871 30 10 IKEE CCCCCC#CC[C@@H](NCCC)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2083431206 QQZPTKFFVSAORP-RPBOFIJWSA-N 443.676 5.354 30 10 IKEE C#C[C@H](Nc1cc(Br)c(Br)c(Br)c1)c1ccccc1 2095439871 PUMIACSUDXVPOA-AWEZNQCLSA-N 443.964 5.761 30 10 IKEE CC(C)N[C@@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)c1ccccc1 2095877567 NDZPUWKUTWTMPS-LJAQVGFWSA-N 440.635 5.038 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]1C(C)(C)Nc1ccc(C#N)c(Br)c1F 2106000303 JYWXWFNJCHUXBH-AWEZNQCLSA-N 426.330 5.050 30 10 IKEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1ccc(Br)c(Cl)c1 2124448567 MQMIRWWGPGKISJ-OAHLLOKOSA-N 444.757 5.018 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCCO[C@@H]1C(C)(C)C 2160256934 IRYUUODVPYTUDT-UTKZUKDTSA-N 437.378 5.678 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CN(c2ccc(C#N)cc2Br)C2(CCCCC2)C1 2174807845 HEYCDUBKTSNVQS-INIZCTEOSA-N 434.378 5.127 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCCC)c2cc(Cl)c(Cl)cc2Cl)C1 2201293794 VVQZOXVPJHHZSS-QGZVFWFLSA-N 433.807 6.301 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)C[C@@H](CCC)NC(=O)OC(C)(C)C 2235746320 JFLOVWSFWJLKGE-RBUKOAKNSA-N 437.422 5.252 30 10 IKEE CCCCCCCCCC[C@H](O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2256701734 NBDHVUQRTIELCV-DEOSSOPVSA-N 447.660 6.332 30 10 IKEE CC(C)(C)OC(=O)NC1C[C@@H]2CCC[C@H](C1)C2(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 2258055105 LBCSPFDLQOHWEW-MBRCDQNCSA-N 447.620 5.532 30 10 IKEE C#C[C@H](C)[C@@H](OCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2261772701 MSFYGSAPAFZMEB-CCLHPLFOSA-N 430.500 5.256 30 10 IKEE C=CCCCCCC[C@H](N)[C@](C)(O)c1cc(Br)c(Br)s1 2281229926 CTOUTLHLJSVLSD-WFASDCNBSA-N 425.230 5.335 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NC)c1cc(Br)cc(C(C)(C)C)c1 2288667822 JWPZXVVNBZAGCE-RBUKOAKNSA-N 437.422 5.314 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)c1c(F)cc(C)cc1Br 2292212886 OPJWEAQGGVMMAI-NRFANRHFSA-N 437.305 5.202 30 10 IKEE C[C@@H](N=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1ccccc1 2295880064 NHIVKJVPLGQPJF-WVXBCFDCSA-N 429.567 7.222 30 10 IKEE CCCOc1ccc(C(=O)C(=Cc2cccc([N+](=O)[O-])c2)c2nc3ccccc3o2)cc1 2296729477 PDQSCKRBPKFUEK-UHFFFAOYSA-N 428.444 5.948 30 10 IKEE COc1ccc(OC)c(C=C2Oc3cc(OCc4ccc(F)cc4Cl)ccc3C2=O)c1 2296865688 BRPFOMTUFIAXNP-UHFFFAOYSA-N 440.854 5.692 30 10 IKEE Cc1ccc(C(O)=C2C(=O)C(=O)N(CCc3ccccc3)[C@H]2c2ccccc2Cl)cc1 2296924153 XADIILSENQXNOH-QHCPKHFHSA-N 431.919 5.313 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)cc1OC 2297213699 GCYFXVGPAAVVBB-UHFFFAOYSA-N 443.930 6.777 30 10 IKEE CC(C)c1ccc([C@H]2C(=C(O)c3ccc(Cl)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1 2297740185 NOTJRJLLRHSPHC-QHCPKHFHSA-N 446.934 5.480 30 10 IKEE CCCCCOc1ccc(C=CC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1OC 2314730716 KWHQJQGCVWEYGZ-KRWDZBQOSA-N 438.593 5.974 30 10 IKEE C=C(C)CSc1nnc(C2CC2)n1N=Cc1ccc(N(CC)Cc2ccccc2)cc1 2320850007 BPPAEOQYNXRZSM-UHFFFAOYSA-N 431.609 5.732 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OCc4cccc(Cl)c4)c3C)C2=O)c1OC 2321762455 QBPXCYZFCNJZGW-UHFFFAOYSA-N 436.891 5.861 30 10 IKEE Cc1ccc(COc2ccc(C=Nn3c(S)nnc3[C@H](C)c3ccccc3)cc2)cc1 2321962129 QISFROOAMIHQIX-LJQANCHMSA-N 428.561 5.488 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccco1)O3)CN(C(c1ccccc1)c1ccccc1)CO2 2322166742 TUWSQMNAILRIRB-UHFFFAOYSA-N 449.506 6.146 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(F)cc2F)c1OCc1nc(O)c2ccccc2n1 2322502583 LIKLTAUMUSFBLL-UHFFFAOYSA-N 448.425 5.097 30 10 IKEE Cc1c(OC(=O)c2ccccc2Cl)ccc2c1OC(=Cc1c(F)cccc1Cl)C2=O 2322725031 RAMDMJIJVSPCEH-UHFFFAOYSA-N 443.257 6.276 30 10 IKEE Cc1ccc(NN=Cc2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1 2322930336 GFIPWUMERBPLHY-LJAQVGFWSA-N 430.555 6.797 30 10 IKEE Fc1ccc(NN=Cc2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1 2322961424 QKOGCFMHSUDHMC-UHFFFAOYSA-N 432.502 6.791 30 10 IKEE CCCN(CCC)C(=O)COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC 2323302199 XWYRUFCXUPFXLC-UHFFFAOYSA-N 437.580 5.544 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2)ccc1OCC(=O)Nc1ccccc1 2323579900 OLCWRWRAGAYIFY-UHFFFAOYSA-N 445.515 5.316 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1cc(C)ccc1C 2323683590 LRSRJQAMXBHGRC-UHFFFAOYSA-N 431.488 6.085 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCc3cc(C)ccc3C)c(OCC)c2)cc1 2323934202 WCENMRLGNLOSIB-UHFFFAOYSA-N 444.571 6.966 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2324380807 TZRYAMOPAAPCCX-QGZVFWFLSA-N 447.918 5.979 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)ccc1OCc1ccccc1C 2324665804 DTNJDDQRSUVNHQ-UHFFFAOYSA-N 441.354 7.176 30 10 IKEE Cc1cc(OCC(=O)N[C@@H](C)c2ccccc2)cc2c1C(=O)C(=Cc1ccccc1F)O2 2325019744 JOVJSRJEIMMPGC-KRWDZBQOSA-N 431.463 5.007 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3)n2N=Cc2cccnc2)c1 2325449003 CYBHENUKHKPMND-UHFFFAOYSA-N 427.577 5.250 30 10 IKEE Cc1ccccc1CCC(=O)Oc1cccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)c1 2325669636 UJAXDSJVHCYUKL-UHFFFAOYSA-N 446.546 7.096 30 10 IKEE C[C@H](C(=O)Oc1cccc(C=CC(=O)c2ccc(Cl)cc2Cl)c1)c1ccccc1 2325709925 XDLKIBNMVSUFKS-INIZCTEOSA-N 425.311 6.599 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc4c(c3)OCO4)c2)cc1 2325746537 XOYUNVIXEZEWHZ-UHFFFAOYSA-N 428.484 5.828 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2ccc(F)cc2)cc1OC(=O)C1CCC1 2325751223 CBPAXIHTJDDDOJ-UHFFFAOYSA-N 433.273 5.198 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccccc3Br)c2)cc1C 2325760435 VGELOSCJASGCTL-UHFFFAOYSA-N 435.317 6.181 30 10 IKEE C=C(C)CSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1ccc(C)cc1 2325912681 OFADJTNYZQUYFS-UHFFFAOYSA-N 447.391 6.023 30 10 IKEE CCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1ccc(C(C)C)cc1 2326331555 LGTJIGNLXAMVFJ-UHFFFAOYSA-N 434.653 6.826 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(OC)c(OCC)c1 2326357981 DCIVABZPRUDREP-UHFFFAOYSA-N 444.988 5.466 30 10 IKEE CCOc1cc(C=Nn2cnnc2SCc2ccccc2Cl)cc(Cl)c1OC 2326532880 ILPMOCNUMIZKDT-UHFFFAOYSA-N 437.352 5.167 30 10 IKEE Cc1ccccc1CSc1nnc(CCCOc2ccccc2C)n1N=Cc1ccco1 2327054316 XQGULMTVTPMQJO-UHFFFAOYSA-N 446.576 5.674 30 10 IKEE C=CCSc1nnc(CCc2ccccc2Cl)n1N=Cc1cccc2ccccc12 2327975006 OGXPOFYXCUPUIH-UHFFFAOYSA-N 432.980 6.030 30 10 IKEE Cc1ccc(CCc2nnc(SCCc3ccccc3)n2N=Cc2ccccc2)cc1C 2328957786 SWFHZKFFXGJCRC-UHFFFAOYSA-N 440.616 5.897 30 10 IKEE CCOc1ccc(C=Nn2c(SCC)nnc2-c2ccccc2Cl)cc1OCC 2329563041 QOTRYKZTPCPMAJ-UHFFFAOYSA-N 430.961 5.390 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc4c(c3)OCO4)c(Cl)c2)cc1 2330747543 BCHCCUXZVXGMIR-UHFFFAOYSA-N 434.875 5.746 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1OC(=O)C1CC1 2330801297 CQUQFMPLRHEQFC-UHFFFAOYSA-N 425.695 5.867 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(C)c3)cc2)cc1 2330855589 GBINQRGVYFIUFX-UHFFFAOYSA-N 428.528 6.000 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)ccc1OC(=O)[C@H](C)c1ccccc1 2330944183 TXVSFXPREHEOHF-GOSISDBHSA-N 434.919 6.344 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)c2cccc(Cl)c2)c([N+](=O)[O-])c1 2331069288 WEBKHDWOJNCNEM-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE Oc1ccc(Cl)cc1C=Nn1c(SCc2ccccc2F)nnc1C1CCCC1 2331070944 IHHDLYXQDXPXEB-UHFFFAOYSA-N 430.936 5.608 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OC(=O)CCc1ccccc1 2331101325 SWCYQRMHHZMRIM-UHFFFAOYSA-N 436.454 5.798 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2[N+](=O)[O-])c(Cl)c1)c1cccc(Cl)c1 2331123262 YQHLLYPIGXFZGO-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CCC2)c1 2331525816 MTRWJOFASYJTLK-UHFFFAOYSA-N 441.000 6.162 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)CCc1ccccc1 2331705572 HLYDCDDMLSZSFR-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)cc(Cl)c1OC(=O)C1CC1 2331864422 VGCMJXWYKLFOCX-UHFFFAOYSA-N 436.891 5.722 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(Cl)c3)cc2)c2ccccc12 2331866048 PPHCPMRWHAXXKT-UHFFFAOYSA-N 442.898 6.617 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(Cl)ccc2OC)cc(OC)c1OC(=O)CC(C)C 2331882874 QDUMGUDLKZEJAX-UHFFFAOYSA-N 442.939 5.933 30 10 IKEE CC#CCN(C[C@H](NCCC)c1c(C)sc(C)c1Br)C(=O)OC(C)(C)C 2337921925 QFEJXHVHHUEUHF-INIZCTEOSA-N 443.451 5.429 30 10 IKEE CC(C)N[C@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)[C@H]1CC12CCC2 2344981308 SIEUFIIGEIRMFA-LMSSTIIKSA-N 444.667 5.071 30 10 IKEE CC[C@@H](NCc1ccsc1Br)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363845943 GSCQZGRSLQZPQR-QGZVFWFLSA-N 436.224 5.051 30 10 IKEE O=C1/C(=C\C2=Cc3ccccc3OC2)Oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc21 2230945 RKKCASPPSLYVJF-WYMPLXKRSA-N 427.412 5.109 30 10 IKEE C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2)nnc1-c1ccc(Cl)cc1Cl 9594843 XSIGLLPQUUCCBG-CQSZACIVSA-N 447.391 5.866 30 10 IKEE Brc1ccc(-c2csc(NN=Cc3cccc(Br)c3)n2)cc1 12123542 MZLYJDQTRITRKC-UHFFFAOYSA-N 437.160 5.781 30 10 IKEE C=CCn1c(COc2cc(C)cc(C)c2)nnc1SCC(=O)Nc1c(C)cccc1C 14125885 YXEPIVDWJRFXMO-UHFFFAOYSA-N 436.581 5.008 30 10 IKEE O=[N+]([O-])c1ccc(/N=C/c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1 16667725 ARKNBPIURBWUES-CNXRAYQQSA-N 446.510 6.701 30 10 IKEE COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(SC)cc2)c1 20886376 AHSPAJMDKOYKAJ-PPHZAIPVSA-N 442.584 6.397 30 10 IKEE CC(C)COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccnc2)cc1 21259651 DLUQIULSYSVAFW-KMRXNPHXSA-N 439.559 6.096 30 10 IKEE Cc1ccc(NC(=O)[C@@]23CC[C@@](C)(/C(=N/OC(=O)c4ccc([N+](=O)[O-])cc4)C2)C3(C)C)cc1 33960652 QWAOVTYNYCUOJG-STCJDUAWSA-N 449.507 5.271 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc(C(C)(C)C)cc3)ccc2C1=O 38320839 VORRFCFVZVPCSS-IWIPYMOSSA-N 428.484 5.828 30 10 IKEE C=CCN1C(=O)/C(=C/c2cccc(OCc3ccc(C)cc3)c2)S/C1=N/c1cccnc1 39862920 VIOPYAUDRVXLJO-WFFFFOTMSA-N 441.556 5.759 30 10 IKEE CCc1ccc(/C=C2\S/C(=N/c3cccc(C(=O)O)c3)N(C3CCCCC3)C2=O)cc1 39866868 IOOWEZFKWMTONV-INCSMEFSSA-N 434.561 5.884 30 10 IKEE COc1ccc(-c2nc(-c3ccc(C)cc3)c(/N=C(\N)c3ccc(Cl)cc3)s2)cc1 53994185 ZWKGFMWFCLYSQW-UHFFFAOYSA-N 433.964 6.485 30 10 IKEE S=c1[nH]c2ccc(/N=C/c3ccc(Sc4nc5ccccc5s4)o3)cc2s1 59386338 NZAMMZNWQQTHLE-KEBDBYFISA-N 425.585 7.063 30 10 IKEE O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1ccc(Cl)c(Cl)c1)c1c(O)n[nH]c1N2 98036611 QEYTXOORWHXMGP-MGPLVRAMSA-N 432.332 5.442 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(N(CC)CC)cc1)N2 100342205 CYQPRXLJKOIFKT-ALTZYDRJSA-N 432.652 7.709 30 10 IKEE N#Cc1ccc(Cl)cc1Oc1c(Br)cc([N+](=O)[O-])cc1Br 110262986 ARHMLCUIZQGFOY-UHFFFAOYSA-N 432.455 5.437 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1Cl 169884464 MSKZCWOGPNVHRL-XIEYBQDHSA-N 432.033 6.790 30 10 IKEE CCCN1C(=S)N[C@@H](c2cc(Cl)c(OCC(C)C)c(Cl)c2)C(C(C)=O)=C1C 169930211 RUOQFXZFEMEWIT-SFHVURJKSA-N 429.413 5.532 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1cccnc1 170009231 VEUIQZPVMBIVGY-JOCHJYFZSA-N 443.890 5.308 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccncc2)cc1C 170016457 DAHHHRASYAOQBI-XMMPIXPASA-N 426.516 5.605 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccccc2)cc1 170028919 GXFQUASQALHHBT-QHCPKHFHSA-N 431.463 5.316 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccccc2)cc1 170032519 GFSHXQKMEMKIQD-VWLOTQADSA-N 441.527 5.875 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4cc(F)ccc4[nH]3)[C@H]2c2ccccc2)cc1 170056316 ACWSZSONAXLERT-QFIPXVFZSA-N 441.462 5.047 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccc(F)cc2)cc1 170063571 PQZPCVCFUOUVMJ-RUZDIDTESA-N 448.453 5.633 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@H]1c1ccccc1OC 170125488 OVJVSPYVIWYFMI-HXUWFJFHSA-N 448.544 5.115 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccc(O)cc2)c1 170132076 SLEAWDDFCWTKOW-DEOSSOPVSA-N 443.499 5.271 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2cccs2)c1 170156329 KHPRGIQIQURXHD-QFIPXVFZSA-N 431.513 5.083 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccccn1)c1ccc(Cl)c(Cl)c1 170169146 YWJWDDZKECCZNX-LJQANCHMSA-N 443.261 5.310 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccc(C)o2)cc1C 170300478 KVMDHZIKMFCISB-QHCPKHFHSA-N 431.488 5.386 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC)c2)[C@H]1c1c(C)[nH]c2ccccc12 170311801 QWLSGQXTUOCQBH-HSZRJFAPSA-N 432.520 5.253 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1sccc1C 170314323 VFULPFMRFDCUFE-NRFANRHFSA-N 433.529 5.465 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@@H]1c1sccc1C 170318589 ZFJGOKCCFUHCEF-HXUWFJFHSA-N 441.593 5.741 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(O)cc2)cc1Cl 170339480 ZTPFBFZVSVTGOZ-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(C(C)(C)C)cc1 170468616 UPULJDKCHJSTRS-QFIPXVFZSA-N 449.934 6.322 30 10 IKEE COc1ccc(Cl)cc1/C=C1/SC(=Nc2ccc(C)cc2)N(c2ccc(C)cc2)C1=O 252621153 MTZVPOYKYSIUND-ZRAGWZJNSA-N 448.975 6.774 30 10 IKEE CN(C)c1ccc(C=Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1[N+](=O)[O-] 254607509 PFOUTHINLBXPLA-UHFFFAOYSA-N 436.471 6.210 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(O)c(Cl)c2)cc1 526487209 XLXLHVJNYAAYSL-QHCPKHFHSA-N 446.890 5.373 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2cc(Cl)c(O)c(Cl)c2)cc1 526490419 WPRVECPBOLHLOC-SFHVURJKSA-N 443.311 5.689 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1/N=C\c1cc(Br)ccc1O 526799608 HKRAEDLXACCLBM-XKZIYDEJSA-N 445.386 5.263 30 10 IKEE CCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1ccc(Cl)c([N+](=O)[O-])c1 526811130 BYRGJJBTSSQGOU-JJFYIABZSA-N 429.933 5.193 30 10 IKEE CCOc1cccc(/C=N\n2c(CC)nnc2SCc2cccc3ccccc23)c1OC 526821218 HGGIZJDIWGLBRM-QQXSKIMKSA-N 446.576 5.576 30 10 IKEE C=CCCN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(OC(C)C)cc1 586151125 REMBPJZXHWCBOM-UHFFFAOYSA-N 427.488 5.260 30 10 IKEE CC(C)COc1ccc(N(CCCC#N)S(=O)(=O)c2ccc(OC(C)C)cc2)cc1 586257294 YRTUZEPPKYJXOR-UHFFFAOYSA-N 430.570 5.008 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@H](C#N)c1ccc(I)cc1 698407688 OBNFDHJAHGTFAB-SFHVURJKSA-N 448.304 5.293 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@H](C#N)c1cc(Br)c(Cl)s1 698409684 VIMPDEVSTUCZJV-AWEZNQCLSA-N 441.778 6.166 30 10 IKEE CC(C)C[C@@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Br)C1 698459219 VVNOCGZJJXRNOE-HTAPYJJXSA-N 435.406 6.689 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CSCCC1(C)C 698490052 RFRACEZEPGXQGO-IBGZPJMESA-N 425.392 5.616 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 698900311 DYIFCAJVKFWUDB-WAIKUNEKSA-N 449.979 5.621 30 10 IKEE CCCCCCCCCC[C@H](O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 705511018 LEDMFYFFSIYIIZ-NHTMILBNSA-N 435.649 6.377 30 10 IKEE CC(C)(C)OC(=O)N(C[C@H]1CCCO1)[C@@H](C#N)c1cccc(Br)c1Cl 706501266 VCPLWQBDKNJNQV-DOMZBBRYSA-N 429.742 5.083 30 10 IKEE C#CCCCCC[C@H](NCC)c1ccc(I)c(Br)c1 721592906 LACAFFIVBAQWQH-INIZCTEOSA-N 434.159 5.288 30 10 IKEE Cc1ccc(NC(=O)[C@@H]2CC(=O)N(C)C(=Nc3cc(Cl)cc(Cl)c3)S2)c(C)c1 1084064651 CVVJBSXSRJAWLL-KRWDZBQOSA-N 436.364 5.200 30 10 IKEE COC(=O)c1c(N=Cc2ccc(Br)s2)sc(Cc2ccccc2)c1C 1084420482 YVMFNXYTIMUKIL-UHFFFAOYSA-N 434.380 6.009 30 10 IKEE Cc1c(C(=O)NCc2cccnc2)oc2c1C(=NNc1cccc(C(F)(F)F)c1)CCC2 1772750802 MVZIJPKIICNBCE-UHFFFAOYSA-N 442.441 5.084 30 10 IKEE CCOc1cc(C(=O)Nc2ccc(Nc3ccc(C#N)cc3)nc2)cc(OCC)c1OCC 1858427277 YZCGDWKKJIFGDN-UHFFFAOYSA-N 446.507 5.145 30 10 IKEE CC(=O)c1c(C)oc(NC(=O)c2cccc(-c3nc4cccc(C(C)C)c4o3)c2)c1C#N 1859748593 NZCHILZHTKVCHX-UHFFFAOYSA-N 427.460 5.846 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2Cl)=C(O)C(=O)N1C1CCCC1 1862379825 LUUNZYUOFRIJTO-FQEVSTJZSA-N 430.331 5.823 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccccc1[N+](=O)[O-] 1862384664 XNXDAIWEAYLFHJ-ADLMAVQZSA-N 449.290 5.278 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(Cl)cc1 1862385655 UYXFFTVYVKWAOP-SFHVURJKSA-N 438.738 6.025 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(F)cc1F)c1ccc(F)cc1F 1862416932 MGMIJWRDCXRQEO-IBGZPJMESA-N 447.409 5.083 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(F)cc1F 1862432773 MRSRSUPEXLKPPP-HXUWFJFHSA-N 433.882 5.777 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc2c(c1)CCCN2C 1862442599 FZFCSLQAMGDXGP-IVZQSRNASA-N 438.955 5.099 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cc(Cl)cc(Cl)c1 1862444313 WFYADUDXBPBLAP-VOJFVSQTSA-N 438.738 6.024 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc(O)c2)cc1 1862474453 NRKOGAPNJBCFLY-IQGLISFBSA-N 441.527 5.603 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(Cl)cc3)[C@@H]2c2ccc(C)cc2)cc1 1862475331 JDKXSUALWDBWEF-XMMPIXPASA-N 445.946 5.778 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCCCN2CCCC2)c1 1862490283 RURFGEZFZLRXLM-VWLOTQADSA-N 446.591 5.066 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2ccccc2F)ccc1F 1862501316 ABTLMVFCAQUJGK-NRFANRHFSA-N 439.483 5.156 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(F)cc1F 1862546396 WXXCHECFJQQGPQ-PEBXRYMYSA-N 425.475 5.220 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(Cl)cc2Cl)c1 1862562545 IJJAYUUDVYIBHS-LJQANCHMSA-N 431.319 5.097 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2cccc(C)c2)cc1OC 1862576644 YRMIKLJFAVHQTF-WPSZSDGUSA-N 449.547 5.169 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2Cc2cccnc2)cc1 1862649789 GPOVXKOEAGPHSX-SANMLTNESA-N 448.522 5.576 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(Cl)cc1 1862661535 RCMUGTPEWRJMIU-QFIPXVFZSA-N 425.956 6.232 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 1862683651 SBVIHVQRFMTODI-HXUWFJFHSA-N 447.428 5.756 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(F)cc1 1862725041 ZQYLNZCQOLKYCT-MZNJEOGPSA-N 429.491 5.870 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(Cl)c3C)C(=O)N(c3cccc(C#N)c3)C2=O)cc1C 1862879171 KVKAVGWWMQGSSW-UHFFFAOYSA-N 441.918 5.534 30 10 IKEE Cc1ccc(C2=C(Nc3cccc4c3CCCC4)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1C 1862879871 JQRUMMKLIIPGLF-UHFFFAOYSA-N 447.538 5.451 30 10 IKEE C[C@H]1CCCC[C@@H]1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2cccc3ccccc23)C1=O 1863223989 CVZMBZUTUBPUBG-UUOWRZLLSA-N 435.527 5.482 30 10 IKEE CCC[C@@H](NC(=O)C[C@H](c1ccc(Cl)cc1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866751261 VEJQKHGZLJPEBA-FCHUYYIVSA-N 425.960 5.265 30 10 IKEE CC(C)c1nc(Nc2cccc(C#N)c2)cc(N2CCC[C@H]2Cc2ccc(Cl)cc2)n1 1868221293 IEXAUAVMMJJPIL-QFIPXVFZSA-N 431.971 6.080 30 10 IKEE C[C@@H]1CN(c2cc(Nc3ccccc3C#N)nc(C(C)(C)C)n2)C[C@H](c2ccc(F)cc2)O1 1868350432 JLQRTQBISGSZCK-VGOFRKELSA-N 445.542 5.495 30 10 IKEE Cc1ccc(C)c2c1C[C@@H](C)CN2c1cc(Nc2ccc(C#N)cc2)nc(-c2cccnc2)n1 1868576376 SKNJBCCZPGQKBL-GOSISDBHSA-N 446.558 6.101 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3ccc([N+](=O)[O-])cc32)nc(-c2ccccc2C)n1 1869141121 IRUUNLVCUXVYOQ-UHFFFAOYSA-N 427.508 5.233 30 10 IKEE CCCCCCOc1ccc(C(=O)Nc2c(C#N)nnn2-c2cccc(Cl)c2C)cc1 1870144356 ZBQJOSLCWBXNJU-UHFFFAOYSA-N 437.931 5.312 30 10 IKEE CCCCCCCCCCn1cc(OCCC)c(=O)cc1CSCc1ccccc1 1870181845 XIKWKIYNXWSPAJ-UHFFFAOYSA-N 429.670 7.211 30 10 IKEE CCCCCCCOc1cn(Cc2ccncc2)c(CN(CCC)CCCC)cc1=O 1870413171 UNKQDZYZOXOPKY-UHFFFAOYSA-N 427.633 5.653 30 10 IKEE CCCCCCCCn1cc(OCCCC)c(=O)cc1CN(CCCC)CCCCCC 1870664262 UERHCGYCJQQUJW-UHFFFAOYSA-N 448.736 7.570 30 10 IKEE CCCCCCCOc1cn(CCCOC(C)C)c(CNc2ccccc2C)cc1=O 1870837514 KATPYXPUYGESDG-UHFFFAOYSA-N 428.617 5.933 30 10 IKEE CCCCCCCCNS(=O)(=O)c1nc(-c2ccccc2)sc1-c1ccccc1 1871288492 RTIACGBDPMNZJD-UHFFFAOYSA-N 428.623 6.116 30 10 IKEE O=C1/C(=C/c2c(Cl)cccc2Cl)Oc2c1ccc1c2CN(C2CCCCCC2)CO1 1871347514 DJPXMFOKEODAJN-UUYOSTAYSA-N 444.358 6.484 30 10 IKEE CCCCC[C@@H](CC)N1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc2c(c1)OCO2)C3=O 1871347598 JZNFCBONVKDTAI-RIMPEIONSA-N 449.547 5.851 30 10 IKEE CCCCC[C@H](CC)N1COc2ccc3c(c2C1)O/C(=C\c1c(F)cccc1Cl)C3=O 1871347668 ORJMWFMNGPKBOA-YOBACFSGSA-N 443.946 6.606 30 10 IKEE CCCCCCCCCCN1COc2ccc3c(c2C1)O/C(=C\c1cccc(F)c1)C3=O 1871348689 LBKKRTNSRQOTKU-UQQQWYQISA-N 437.555 6.735 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(CCC1=CCCCC1)C3 1871349829 WDIVWPYYWUTYRO-XYGWBWBKSA-N 445.559 6.052 30 10 IKEE Cc1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871366629 JBGGDUHGJKRWQX-DYAARSSKSA-N 430.887 6.192 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc(OC(=O)CCCOc3ccccc3)c2C)C1=O 1871371279 OIRCSJZCAIJQFW-QNGOZBTKSA-N 434.513 5.746 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc(OC(=O)/C=C/c3ccc(C(C)C)cc3)c2C)C1=O 1871379899 LXHJBXQKCYUZLC-JRWSPRBFSA-N 444.552 6.723 30 10 IKEE Cc1cc(OC(=O)c2cc(Cl)ccc2Cl)cc2c1C(=O)/C(=C/c1ccccn1)O2 1871381599 XXROZXKYNQNCRQ-GRSHGNNSSA-N 426.255 5.532 30 10 IKEE O=C1/C(=C/c2ccccc2Cl)Oc2cc(OCCCOc3ccc(Cl)cc3)ccc21 1871404478 BRRNOHMRRYJTST-UCQKPKSFSA-N 441.310 6.458 30 10 IKEE CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871407379 MAMRSOMCWHHZGP-DNPFKWNUSA-N 447.462 5.247 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccc(Cl)cc4)cc(C)c3C2=O)c1 1871413939 FDHKGQVRGQHHNT-ICODJCHTSA-N 447.918 5.979 30 10 IKEE Cc1c(OCc2ccc(C#N)cc2)ccc2c1O/C(=C\c1ccccc1Br)C2=O 1871417838 SXTJMRCOFBWAFF-UUYOSTAYSA-N 446.300 5.824 30 10 IKEE COc1ccc(CCOc2ccc3c(c2C)O/C(=C\c2cc(OC)ccc2OC)C3=O)cc1 1871447844 DVLSEXJLQFUVFA-XYGWBWBKSA-N 446.499 5.259 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccccc1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872411746 UIUSGDAJDHSCGY-HSZRJFAPSA-N 442.625 5.294 30 10 IKEE Cc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1C 1872765330 MUNSWCKBLPJMQP-SFHVURJKSA-N 441.350 5.445 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@@H](C#N)C(=O)c2c(F)cccc2Cl)n1 1872786215 DXHBRDZSNFUFRB-LBPRGKRZSA-N 435.307 6.063 30 10 IKEE CCCCCCCCNC1=C(c2c(Cl)cccc2Cl)C(=O)N([C@H](C)CC)C1=O 1873095579 GPUSKUUTCMYRBL-OAHLLOKOSA-N 425.400 5.822 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)N(CCCC)CCCC)n2Cc1ccco1 1873563287 CBISVRWHNIGIRL-UHFFFAOYSA-N 449.599 5.293 30 10 IKEE Cc1cc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n(-c2cccc(F)c2)n1 1873684080 NRCPISIQUVNZIU-UHFFFAOYSA-N 431.311 5.610 30 10 IKEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3ccc(N(CC)CC)cc3)c(=O)oc2c1 1873948083 KPLLEGXQRSUXTM-UHFFFAOYSA-N 448.563 5.474 30 10 IKEE CCSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1cccc(Cl)c1 1874206164 NGHRCMCRGIRMEN-LSHDLFTRSA-N 441.771 5.812 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1cccc(O)c1 1874231834 DMPNGCQLNCWXDR-WGOQTCKBSA-N 428.561 5.473 30 10 IKEE CCCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc(OC)c(O)c1 1874233851 FHCVKOOFMPVQNG-YZSQISJMSA-N 446.576 5.315 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccco2)c(C)c1 1874325975 RKCMUHHPRCFTML-DHRITJCHSA-N 436.512 5.381 30 10 IKEE COc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2/N=C/c2ccccc2)cc1 1874350894 JJJULWMLAPDCEY-WGOQTCKBSA-N 448.979 5.705 30 10 IKEE C=CCSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1cc(Br)ccc1O 1874400297 NHTGDLXAYDSUOR-KOUDTOEKSA-N 443.370 5.058 30 10 IKEE O=[N+]([O-])c1cccc(/C=N/n2c(SCc3ccccc3Cl)nnc2-c2ccco2)c1 1874467058 PRTICMGGFLZGST-WSDLNYQXSA-N 439.884 5.274 30 10 IKEE C=CCSc1nnc(CCCC)n1/N=C/c1ccc(N(CC)Cc2ccccc2)cc1 1874479183 MXGLOONDNFBPNQ-LGUFXXKBSA-N 433.625 5.808 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/n2c(S)nnc2CC(C)C)cc1Cl 1874559502 VTNYDADDLCZLEY-LFVJCYFKSA-N 437.053 6.430 30 10 IKEE O=C(COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(F)cc1F)NC1CCCCC1 1874576723 CLIDVNDYWVZYEL-BUHFOSPRSA-N 449.497 5.842 30 10 IKEE O=C(/C=C/c1c(OCc2cccc(Cl)c2)ccc2ccccc12)c1ccc(Cl)cc1 1874577409 MMFQJYKWPROAPI-BUHFOSPRSA-N 433.334 7.622 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(F)cc2)c1OCC(=O)Nc1ccccc1 1874583861 KHODTGVYAXNDPY-FMIVXFBMSA-N 439.870 5.401 30 10 IKEE Cc1ccc(C(=O)/C=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)cc1C 1874588194 DYNLGFRTEBRLEK-CCEZHUSRSA-N 426.943 7.585 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)c2ccccc12 1874591953 KJOYKLUROAHLCR-MDWZMJQESA-N 446.905 7.116 30 10 IKEE CCCOC(=O)COc1c(/C=C/C(=O)c2ccc(OC)c3ccccc23)cccc1OC 1874592239 UCZKCFVHZQCLKG-WYMLVPIESA-N 434.488 5.085 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc1OCc1ccccc1 1874598129 VRKBARVWNQFDDT-SDNWHVSQSA-N 430.544 6.476 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OCC(=O)Nc1ccc(C)c(C)c1 1874599165 YEAKVZQLTJQZPA-XYOKQWHBSA-N 443.543 5.842 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OCC(=O)OC 1874606181 AVVRVPMAVNGLIB-RMKNXTFCSA-N 435.303 5.178 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OCc1ccc(C)cc1 1874622305 AQONCGQAZLJUHN-VQHVLOKHSA-N 436.891 5.861 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874624524 HUSHITPYPTWSFY-OQLLNIDSSA-N 434.963 7.121 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3cc(F)ccc3F)c2)cc1C 1874696363 VAKOYSZLHABCOU-UXBLZVDNSA-N 438.426 5.162 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)CC34CC5CC(CC(C5)C3)C4)c2)cc1 1874697682 KTDQKMWTNNGSQX-BJMVGYQFSA-N 430.544 6.103 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)c1)c1ccc2c(c1)OCO2 1874707542 KGMPLUPAWYBYGV-BPFVEMAFSA-N 446.886 5.674 30 10 IKEE CCc1ccc(CCC(=O)Oc2cc(/C=C/C(=O)c3ccc(F)cc3)ccc2OC)cc1 1874709359 CACAWBIHCNOHPI-OVCLIPMQSA-N 432.491 5.831 30 10 IKEE O=C(/C=C/c1cc(Br)c(O)c(Br)c1)c1cccc2ccccc12 1874719155 IVZAFSJABSACCL-CMDGGOBGSA-N 432.111 5.967 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC(=O)Cc1ccc(C)cc1 1875126373 DWXAPXAWHHBJFG-RIYZIHGNSA-N 434.919 6.091 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)COc1ccccc1 1875132374 QROJLWOSAHWRHJ-JLHYYAGUSA-N 436.891 5.538 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(F)c3)c(OCC)c2)cc1 1875138804 FRMKNWMTRFMDCV-RIYZIHGNSA-N 448.490 6.129 30 10 IKEE C[C@@H](C(=O)Oc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1Cl)c1ccccc1 1875148285 KRPWENZXXLFYSG-OUQXZNHLSA-N 446.974 7.243 30 10 IKEE C=CCn1c(C(=O)N(C)Cc2ccccc2)cc2c(NCc3ccc(Cl)cc3)ncnc21 1875231087 YYABXGZOHARCRT-UHFFFAOYSA-N 445.954 5.155 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21)NCC 1922116428 QEYOPIMCWZCEBP-UPVQGACJSA-N 436.596 5.667 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)C12CC2 1925711826 YUDGCWCKZURAFD-DEOSSOPVSA-N 427.545 5.172 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](CC1CCCCC1)NC(=O)OC(C)(C)C 1926639276 QFMCLVXKZGGDPX-JWQCQUIFSA-N 444.660 5.991 30 10 IKEE CC1(C)CC[C@H](Nc2ccc(Br)cc2C#N)[C@@H](CNC(=O)OC(C)(C)C)C1 1927067895 FTOUTPOGWQVFDU-QAPCUYQASA-N 436.394 5.452 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@]1(C#N)CN(Cc2ccccc2)C2(CCC2)C1 1934344806 IZPLLIRUFJJMOH-MHZLTWQESA-N 431.580 5.515 30 10 IKEE C=C(CC)C[C@H](NCCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997460116 WCWQOWNYIAABJP-OZXSUGGESA-N 430.633 5.555 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1[C@@H]2CCC[C@@H]2[C@H]1NC(=O)OC(C)(C)C 2005466103 MVTBCFNEFAHMBV-LYCSZFELSA-N 428.617 5.067 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CN(C(=O)OC(C)(C)C)C23CCC3)c1 2015371805 GUXUFDGSSNTURE-DEOSSOPVSA-N 427.545 5.172 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]([C@](C)(C#N)N(C(=O)OC(C)(C)C)C2CCCC2)CC1 2023550924 LWIKRHJQSRJPBP-RHGYRFJNSA-N 435.609 5.532 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCC[C@H]2CNC(=O)OC(C)(C)C)c1 2032225067 PRPIDEWNDDIFFG-XDHUDOTRSA-N 445.560 5.024 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Br)ccc1Cl)NC 2047974581 XDELHMHGGGHDPL-DLBZAZTESA-N 431.802 5.093 30 10 IKEE C=CC1(C[C@H](NCCC)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)CCC1 2049034467 BRQLRZCJMLCXFK-HOFKKMOUSA-N 441.660 5.270 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)CCCN(C)C(=O)OC(C)(C)C)cc1 2049127918 RZEJWPBZYDZQDL-XMMPIXPASA-N 447.576 5.366 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@](C#N)(N(C(=O)OC(C)(C)C)C3CCCCC3)C[C@@]2(C)C1 2052771891 UDFVEWXHXRVOJM-RIEVBORMSA-N 447.620 5.486 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C12CCC2 2053039086 CSDLPBMJLYWUGP-BVZFJXPGSA-N 441.572 5.405 30 10 IKEE O=C(C=CNc1cccc([N+](=O)[O-])c1)c1cccc(OCc2c(F)cccc2Cl)c1 2053528188 NORWHDKICJKJIV-UHFFFAOYSA-N 426.831 5.775 30 10 IKEE COC(=O)c1ccc(COc2ccccc2C=CC(=O)c2ccc(OC(F)F)cc2)cc1 2053612392 FQUHAZFHFGZLSW-UHFFFAOYSA-N 438.426 5.550 30 10 IKEE COc1ccc([C@@H](C2CCC2)n2nc(C3(C)CC3)c(C=NO)c2Br)c(C)c1 2079908751 YIGSHWHHTZFDOH-GOSISDBHSA-N 432.362 5.212 30 10 IKEE N#Cc1c(C2CC2)nn([C@H](c2ccc(C3CCC3)cc2)C2CC2)c1I 2079945674 KJYJUYURNLHLFQ-HXUWFJFHSA-N 443.332 5.504 30 10 IKEE CC(C)[C@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)(F)F)c(N)c1Br 2079979027 KGQSRJNFDDFRNV-LLVKDONJSA-N 448.180 5.650 30 10 IKEE COc1ccc([C@@H](C2CCC2)n2nc(C(F)F)c(C=NO)c2Br)cc1C 2080043196 QVQFQTDOHACNCJ-MRXNPFEDSA-N 428.277 5.098 30 10 IKEE CCOC(=O)c1c(C(F)(F)F)nn([C@@H](C)c2ccc(C(F)(F)F)c(F)c2)c1Cl 2080051785 DRAMHVVYWCKENI-ZETCQYMHSA-N 432.723 5.499 30 10 IKEE Nc1c2c(nc3c(-c4cc(F)ccc4C(F)(F)F)c(C(F)(F)F)nn13)CCCCC2 2081507885 KASUQJSQPPQQMM-UHFFFAOYSA-N 432.343 5.424 30 10 IKEE CC[C@]1(CNc2cc(Br)cc(F)c2C#N)CCCN1C(=O)OC(C)(C)C 2107451051 MNMGLTWCAUOXDW-LJQANCHMSA-N 426.330 5.051 30 10 IKEE CN(Cc1ccccc1Nc1ccc(C#N)c(Br)c1F)C(=O)OC(C)(C)C 2162339709 HZHZEGQIZVYBSF-UHFFFAOYSA-N 434.309 5.570 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](CNc2ccc(C#N)c(Br)c2)[C@H]2CCCC[C@H]21 2179394047 WPSKMVNLKFYODE-KVSKMBFKSA-N 434.378 5.158 30 10 IKEE CC(C)(C)OC(=O)NCc1ccc([C@@](C)(C#N)Nc2cccc(Br)c2)cc1 2187543775 OUCLBWNCOLHAFV-OAQYLSRUSA-N 430.346 5.325 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCC)c2sc(C)c(C)c2Br)C1 2229310213 YDPNTOMYSRABAL-QGZVFWFLSA-N 443.451 5.639 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)cc(F)cc1Br 2233950758 CXGVIXAETULRLN-SJLPKXTDSA-N 447.364 5.628 30 10 IKEE CCCCCC#CC[C@@H](N)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237405094 NCSGDNUPMUYRAQ-UXHICEINSA-N 437.422 5.186 30 10 IKEE CC[C@@H](C)N(Cc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(Cl)c1 2247768409 QZVBZRQQUSMBEE-QGZVFWFLSA-N 427.781 5.080 30 10 IKEE CCN[C@H](CC#CC1CCCC1)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2251480330 BMJUJZBWRFSPRN-ZTCOLXNVSA-N 428.617 5.047 30 10 IKEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1sc(Br)c(C)c1C 2265880743 QVIOMISUTVBASZ-OAHLLOKOSA-N 444.439 5.271 30 10 IKEE C=CCCC1([C@@H](NC)c2cc(F)ccc2Br)CN(C(=O)OC(C)(C)C)C1 2266310268 NLGWHQAKONVMLL-KRWDZBQOSA-N 427.358 5.052 30 10 IKEE Cc1sc(C(=O)N(Cc2ccccc2)c2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1C 2267103807 NKGDIRYVKGJKLI-UHFFFAOYSA-N 447.409 5.511 30 10 IKEE CCCCCCCCCC[C@](C)(O)c1cc(Br)c(Br)s1 2281276496 MIHUKGQOPQMHKN-INIZCTEOSA-N 426.258 7.011 30 10 IKEE Cc1c(NC(=O)OC(C)(C)C)ccc([C@@H](N)C#Cc2ccccc2Br)c1C 2283402502 SZQICMVVCHQAKQ-IBGZPJMESA-N 429.358 5.464 30 10 IKEE CC(C)(C)OC(=O)NCC(C)(C)C1CCN(c2c(Br)cccc2C#N)CC1 2285229991 YQQZZRAMDDKQQT-UHFFFAOYSA-N 436.394 5.088 30 10 IKEE C=CCC[C@H](C)[C@@H](OCCC(=O)O)c1cc(Br)c(Br)s1 2291014553 FMFRBDFXKASTOR-TVQRCGJNSA-N 426.170 5.408 30 10 IKEE O=C1C(=Cc2cc(Cl)c(O)c(Cl)c2)SC(=Nc2ccccc2)N1Cc1ccco1 2293983759 VPMSMQTXADUFCU-UHFFFAOYSA-N 445.327 6.096 30 10 IKEE CCCN1C(=O)C(=Cc2ccc(OC)c(OC)c2)SC1=Nc1ccc(OCC)cc1 2294619901 JQFLEOSSGQGCKX-UHFFFAOYSA-N 426.538 5.117 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@@H](C)CN(CC)C(=O)OC(C)(C)C 2296219251 MHOWMQJYVVZOQD-PXNSSMCTSA-N 437.422 5.062 30 10 IKEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H](CCC(C)(C)C)NC(=O)OC(C)(C)C 2296219324 MTIPJTIYKGMVGD-RTBURBONSA-N 437.422 5.108 30 10 IKEE O=C1C(=Cc2ccc3c(c2)OCO3)Oc2cc(OCc3ccc(Cl)cc3Cl)ccc21 2296631160 XVOMTHXRTYKHDW-UHFFFAOYSA-N 441.266 5.917 30 10 IKEE CC[C@@H](C)N1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(Br)cc1)C3=O 2322092230 FUXQPWJWLKITFT-CQSZACIVSA-N 428.326 5.324 30 10 IKEE COc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(C2CCCCCCC2)C4)cc1 2322178891 DJNFVBRFNNDDJB-UHFFFAOYSA-N 433.548 5.885 30 10 IKEE Cc1cccc(COc2ccc(Cl)cc2C=CC(=O)c2ccc(-c3ccccc3)cc2)c1 2322305744 XSHYXPCCLCOLBT-UHFFFAOYSA-N 438.954 7.791 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2cc(C)ccc2C)cc1C 2322408292 JGWDTWRNNHGKPM-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(F)c(F)c2)c1OCC(=O)Nc1ccc(C)cc1 2322785115 ZCFRGVINYFKLQW-UHFFFAOYSA-N 437.442 5.195 30 10 IKEE O=C(COc1ccccc1)Oc1ccc2c(c1)OC(=Cc1c(Cl)cccc1Cl)C2=O 2322945311 RORKWLFMUOUUBQ-UHFFFAOYSA-N 441.266 5.594 30 10 IKEE O=C(C=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1)c1cccc([N+](=O)[O-])c1 2323046676 HSAWBTFNTHSFHS-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE Cc1cc(OC(=O)C=Cc2ccco2)cc2c1C(=O)C(=Cc1c(Cl)cccc1Cl)O2 2323168786 BRRZGYOUJDNPIJ-UHFFFAOYSA-N 441.266 6.130 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OC(=O)CCCOc4ccccc4)c3C)C2=O)cc1 2323178086 GLZOUPWKNOKTFT-UHFFFAOYSA-N 444.483 5.384 30 10 IKEE Cc1cc(OC(=O)Cc2ccc(Cl)c(Cl)c2)cc2c1C(=O)C(=Cc1ccccc1)O2 2323419454 HXVSKDCBBPHCGB-UHFFFAOYSA-N 439.294 6.066 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)Cc4ccc(Cl)c(Cl)c4)c3C)C2=O)o1 2323421568 QRCQAKPOJZGCIN-UHFFFAOYSA-N 443.282 5.968 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1 2323464868 WGHQBTSYJNWDEB-UHFFFAOYSA-N 445.773 7.684 30 10 IKEE Cc1nc2ccc(C(=O)Oc3ccc4c(c3)OC(=Cc3cccs3)C4=O)cc2nc1C 2323554866 GQEJFCGZCNDWBP-UHFFFAOYSA-N 428.469 5.144 30 10 IKEE Cc1c(OC(=O)C=Cc2ccc([N+](=O)[O-])cc2)ccc2c1OC(=Cc1ccccc1F)C2=O 2323597976 UFDXTLFHLIQSFD-UHFFFAOYSA-N 445.402 5.277 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Cl)c1OCc1cccc(F)c1 2323719674 RASGYEJTCDYZJC-UHFFFAOYSA-N 432.825 6.241 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cccc(C)c3C)c(Cl)c2)c(C)c1 2323854644 HWFQMXJJXLAENR-UHFFFAOYSA-N 447.962 6.487 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1cccc(F)c1 2323895953 SSBPRUFEOVOOTG-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OCc1cccc(F)c1 2323959871 UAEKCLYKQWZDNP-UHFFFAOYSA-N 430.519 6.655 30 10 IKEE Cc1cc(O)c(CN(C2CCCCC2)C2CCCCC2)c2c1C(=O)C(=Cc1cccnc1)O2 2324044714 DZEBVYCOHOBRCR-UHFFFAOYSA-N 446.591 6.179 30 10 IKEE Cc1cc(O)c(CN2C[C@H](C)C[C@@H](C)C2)c2c1C(=O)C(=Cc1c(Cl)cccc1Cl)O2 2324055253 YEJBOWMVRDWRGL-ZIAGYGMSSA-N 446.374 6.102 30 10 IKEE CCCCN(CC)Cc1c(O)cc(C)c2c1OC(=Cc1ccccc1Br)C2=O 2324121735 YQPZWZNEYMUDIM-UHFFFAOYSA-N 444.369 5.701 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OCC(=O)NC3CCCCC3)c(Cl)c2)cc1 2324158626 HRHVDWBWWKTSJB-UHFFFAOYSA-N 439.983 6.187 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)OC)c(Cl)c2)cc1 2324209784 WMVXMZMNRIQJPD-UHFFFAOYSA-N 444.955 6.137 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2C)C3=O)cc1 2324451415 JJJBJAKPJFYWQR-QGZVFWFLSA-N 429.472 5.026 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccccc1F 2324451441 LAARMZHGXHCIQW-UHFFFAOYSA-N 438.926 6.970 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3C)cc2)cc1C 2324628353 ZLECKFNROQOEGS-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE COc1ccc(OC)c(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)s3)cs2)c1 2324820386 ABLRRWZJOSAQLY-AWEZNQCLSA-N 430.938 5.432 30 10 IKEE Cc1c(OCC(=O)OCC(C)C)ccc2c1OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2325068629 OLKGUICGSGHYBB-UHFFFAOYSA-N 435.303 5.496 30 10 IKEE CCOCCOC(=O)[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1ccc(C(C)C)cc1)C2=O 2325074190 QHPWBQYPMZPQPY-GOSISDBHSA-N 438.520 5.082 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O)Nc1ccc(F)c(F)c1 2325514203 VQEVRIHMYDBFTF-UHFFFAOYSA-N 441.817 5.252 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(N(C)C)cc1 2325565209 PQVBFRAHALJLMI-UHFFFAOYSA-N 429.593 5.624 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1OC(=O)[C@H](C)c1ccccc1 2325701341 RILRNQVDNWIGFV-HXUWFJFHSA-N 440.539 6.179 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1cccs1)C2=O)Nc1ccccc1C(F)(F)F 2325705795 BCIICBHEIMQZPJ-UHFFFAOYSA-N 445.418 5.401 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccccc3-c3ccccc3)c2)cc1 2325719541 UHIBWPIITCPDJG-UHFFFAOYSA-N 434.491 6.478 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OC(=O)c1ccc(F)c(F)c1F 2325741423 WGUXHPOCNHQXBI-UHFFFAOYSA-N 444.380 5.675 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC(=O)CCCSC)c1 2325752890 MLBWFJLQZFPWNA-UHFFFAOYSA-N 426.578 5.937 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)COc3cccc(C)c3C)c2)c(C)c1 2325764705 UEKBRTRMOUAULW-UHFFFAOYSA-N 428.528 6.109 30 10 IKEE CCOc1ccc2ccccc2c1C=Nn1c(CC)nnc1SCc1cccc(C)c1 2326379853 NMQWJECOUWXLET-UHFFFAOYSA-N 430.577 5.875 30 10 IKEE C(=Nn1c(CCc2cccc3ccccc23)nnc1SCc1ccccc1)c1ccco1 2326600138 QNHMNMJWELKQSU-UHFFFAOYSA-N 438.556 5.984 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(OC(C)=O)cc1 2326639875 GZYVNHSMECIUNB-UHFFFAOYSA-N 444.560 5.484 30 10 IKEE C=C(C)CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1sccc1C 2326909333 GOPTWHQSLOQGSQ-UHFFFAOYSA-N 426.655 5.957 30 10 IKEE CCCSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1ccc(C(C)C)cc1 2327385591 PCHFBBSJAJSRSP-UHFFFAOYSA-N 436.625 6.317 30 10 IKEE Clc1ccccc1CCc1nnc(SCc2ccccc2)n1N=Cc1cccnc1 2327956801 JEPWVIMFBPBUTJ-UHFFFAOYSA-N 433.968 5.286 30 10 IKEE CCCSc1nnc(CCc2ccccc2C)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2329501056 XTMDDWNTLQJVIZ-UHFFFAOYSA-N 443.960 5.318 30 10 IKEE Fc1ccc(Cc2nnc(SCc3ccccc3F)n2N=Cc2ccccc2F)cc1 2329842763 XGESFVNTPIHMON-UHFFFAOYSA-N 438.478 5.461 30 10 IKEE CCOc1ccc(C=Nn2c(COc3ccccc3)nnc2SCc2ccccc2)cc1 2329918669 HTLARIQFIBYNQL-UHFFFAOYSA-N 444.560 5.430 30 10 IKEE CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1cccc(OCc2ccccc2)c1 2330045658 FXKBXUFGGUKLQJ-LJQANCHMSA-N 428.561 5.613 30 10 IKEE C=C(C)CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1ccc(OCC)c(OC)c1 2330103798 GRYWWDFCERBESI-GOSISDBHSA-N 436.581 5.388 30 10 IKEE Fc1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2c(F)cccc2Cl)cc1 2330639963 BCPHXODXIDTUQT-UHFFFAOYSA-N 440.906 6.051 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc4ccccc4c3)cc2)cc1 2330653474 FYMFYNLABUCVDK-UHFFFAOYSA-N 434.535 6.837 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3OC)c([N+](=O)[O-])c2)cc1 2330749783 FZGZBKLSRRTOMA-UHFFFAOYSA-N 445.471 5.210 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@H]2C[C@H]2c2ccccc2Cl)cc1)c1ccccc1Cl 2330911151 IZLFWPOIRIXPKZ-SFTDATJTSA-N 437.322 6.599 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Br)c2)ccc1OC(=O)C1CCCC1 2331007107 QEOYLIGHTGDWJL-UHFFFAOYSA-N 443.337 5.840 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3ccccc3F)nnc2C2CCCC2)cc1 2331071874 UTHHNBFSIPBCLZ-UHFFFAOYSA-N 438.572 6.038 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OC(=O)Cc1ccc(F)cc1 2331174090 RLKOCJBBKSCXEQ-UHFFFAOYSA-N 438.882 5.922 30 10 IKEE COCCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1cccc(C)c1 2331294216 CZZGCEUEKQTBIP-UHFFFAOYSA-N 435.380 5.257 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)Cc3cccs3)c([N+](=O)[O-])c2)ccc1F 2331339332 ZNIPVFZRJPWIAL-UHFFFAOYSA-N 425.437 5.148 30 10 IKEE Cc1ccc(C=Nn2c(SCC(=O)Nc3c(C)cccc3C)nnc2C2CCC2)cc1 2331512041 BHHWTPNXVHVAMP-UHFFFAOYSA-N 433.581 5.084 30 10 IKEE O=C(CSc1nnc(C2CCC2)n1N=Cc1cccc2ccccc12)NC1CCCCC1 2331530247 MEVUPNBSGZDIAV-UHFFFAOYSA-N 447.608 5.122 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)c1cnc(C)cn1 2331531386 SYADNKUIVDZOGF-UHFFFAOYSA-N 440.858 5.092 30 10 IKEE COCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1c(F)cccc1Cl 2331608835 TVWMICREUIGETP-UHFFFAOYSA-N 425.316 5.045 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H](Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C(C)(C)C 2339596753 LLQRIJVAYWPHSV-KAUXGEHWSA-N 446.397 5.044 30 10 IKEE COc1cc(Oc2cc(NC(=O)OC(C)(C)C)c(C)cc2Br)ccc1C#N 2370355589 WREIVQVTCXKITN-UHFFFAOYSA-N 433.302 5.777 30 10 IKEE CC1CC2(C1)CC(SCc1ccc(B3OC(C)(C)C(C)(C)O3)c(Br)c1)C2 2377291405 NPQDDAMNYGJLNA-UHFFFAOYSA-N 437.252 5.560 30 10 IKEE CS/C(=N/S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCCCC1 12339822 SYADGPTZTRATPH-OEAKJJBVSA-N 448.454 5.008 30 10 IKEE O=C(/C=C\N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(Cl)cc1Cl 31910851 SLYVPOZHJCOETN-SREVYHEPSA-N 429.269 5.531 30 10 IKEE C=C(C)C(=O)NCCc1nc2ccccc2n1CCCCOc1ccc(/C=C/C)cc1OC 35144668 AKMOZYZPLWALBH-BJMVGYQFSA-N 447.579 5.172 30 10 IKEE C=CCOc1ccc([C@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CC=C)cc1OCC 38593939 LJINJWRPQBTQBJ-DEOSSOPVSA-N 445.515 5.105 30 10 IKEE C=CCNc1ncnc(Nc2cc(Cl)c([C@H](C#N)c3ccc(Cl)cc3)cc2C)c1N 40688628 OWRYUXQMYRECNC-QGZVFWFLSA-N 439.350 5.671 30 10 IKEE C=Cc1ccc(COc2ccc3c(c2C)O/C(=C\c2ccc(N(CC)CC)cc2)C3=O)cc1 62957605 GHTJSQRDEZQEQN-IMRQLAEWSA-N 439.555 6.679 30 10 IKEE CCN1C(=O)C[C@@H](C(=O)Nc2ccc(C)c(Cl)c2)S/C1=N\c1ccc(C)c(C)c1 100194055 NISQJTKWYKNLHH-NWIBBQCFSA-N 429.973 5.245 30 10 IKEE CCCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccc(F)cc1 100461805 ZQMNURSKYLYPPD-UHFFFAOYSA-N 433.696 9.586 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2Cl)S/C(=N/c2ccccn2)N1c1ccccc1 101124494 HABIZVFLVFAIQA-FOXVTAEVSA-N 426.328 6.197 30 10 IKEE Cc1ccsc1/C=C1/Oc2cc(OS(=O)(=O)c3ccc(Cl)cc3)ccc2C1=O 102912878 JRINUCJPJLYVPP-WOJGMQOQSA-N 432.906 5.094 30 10 IKEE O=C(/C=C\c1ccccc1)Oc1ccc2c(c1)O/C(=C/c1c(Cl)cccc1Cl)C2=O 103017573 FYNBSVPJWWVETR-VORDKCKHSA-N 437.278 6.228 30 10 IKEE CCOc1ccc(/N=C2/SC[C@@H](C)N2C(=O)CCCOc2ccc(OCC)cc2)cc1 103019214 OHRGRPRIIFNRBB-PZPYUUCDSA-N 442.581 5.295 30 10 IKEE CCCCCCCCCC(=O)Oc1ccc(/N=N/c2ccc(C(=O)CCCC)cc2)cc1 111459016 NRZWTVDAZMMIMS-ZQHSETAFSA-N 436.596 8.521 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2cccc(C)c2)cc1 169922848 WJDYDCJXCUDCQX-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccc(OCC)c2)c1 170036223 VZKCWWUNQRILQJ-DEOSSOPVSA-N 443.499 5.267 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@H]2c2ccccc2)cc1 170049329 QWNCBZXRPDNCSX-DEOSSOPVSA-N 425.528 6.075 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccc(F)cc2)c1 170060606 CJNPHXDHRMIWQR-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE Cc1cc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccco3)[nH]c2cc1C 170098889 IWABAKAGWLKTCE-HXUWFJFHSA-N 447.878 5.209 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(O)cc1)c1ccc2c(c1)CCCC2 170135572 KZULSPMMOUVMJE-XMMPIXPASA-N 431.532 5.182 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3OC)[C@@H]2c2cccs2)cc1 170156902 QPIHQWPRXQFWQD-QFIPXVFZSA-N 449.528 5.111 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2cccnc2)c1 170185299 STDOCIJHRGLTEH-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2cccc(OCC)c2)cc1C 170218154 UPAZVMCGCCSRIW-QHCPKHFHSA-N 437.536 5.171 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2)[C@@H]1c1cccc(OCC)c1 170218424 QLPJYMDOAIGADN-QHCPKHFHSA-N 437.536 5.253 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)c(OC)cc3C)[C@H]2c2ccccc2)c1 170221578 SYRHYORQCVUCMF-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccccc2)cc1 170223792 DSMZWWMUKUYSFZ-RUZDIDTESA-N 441.527 5.875 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(F)cc2)c1 170238494 BIXBWRQTGIVYMC-QHCPKHFHSA-N 449.453 5.535 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccc2F)c1 170248416 UHRHYTYLLSCWOS-XMMPIXPASA-N 445.490 5.706 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(Cl)c3)[C@H]2c2ccco2)c1 170289061 KBEULWAJWLWTSV-LJQANCHMSA-N 444.270 5.383 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@@H]1c1c(C)[nH]c2ccccc12 170311827 QKTVJENXVCIURK-QHCPKHFHSA-N 446.547 5.480 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(Cl)cc(Cl)c2)[C@H]1c1cccc(O)c1)c1ccco1 170386423 ZXUMOPKEIGLZHF-SFHVURJKSA-N 430.243 5.075 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(OC)cc2)c1 170409547 OONGIGDRPCMCQR-QFIPXVFZSA-N 449.528 5.328 30 10 IKEE O=C(/C=C/C=C\c1ccccc1)C(C(=O)/C=C/C=C/c1ccccc1)=C1SCCS1 254441427 OVOLHPLRXFFCOQ-XCBHXTLASA-N 430.594 6.355 30 10 IKEE CC(=NOCc1cccc(C)c1)c1cc(-c2ccc(F)cc2)n(-c2cccc(C)c2)c1C 254631053 OMHJHUJPRHIDOT-UHFFFAOYSA-N 426.535 7.149 30 10 IKEE COc1ccc(-c2cc(-c3ccc(C)cc3)nc(NN=Cc3ccccc3O)n2)cc1OC 254762623 IIXDPFUYJOOTOY-UHFFFAOYSA-N 440.503 5.288 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2sccc2C)c1OC 526519389 CFXJBJMKMCXCMU-FQEVSTJZSA-N 432.501 5.003 30 10 IKEE Cc1ccc(NC2=C(SCc3ccco3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1Cl 526645633 RAGYMULCGJPASB-UHFFFAOYSA-N 449.919 5.243 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(Sc3ccccc3)C2=O)c1 526657036 KFIFIYGBZHWJJC-UHFFFAOYSA-N 425.513 5.164 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(SCc2ccco2)C1=O 526666474 FSEOAFLZXAFTMI-UHFFFAOYSA-N 449.919 5.243 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1ccc(OC(C)C)c(Cl)c1 526804437 SYIGYSUBNUJLIE-QFEZKATASA-N 443.016 6.154 30 10 IKEE CCCOc1c(Cl)cc(/C=N\n2cnnc2SCc2cccc(C)c2)cc1OCC 526808812 SKUCYWBBHYXYQU-MXAYSNPKSA-N 444.988 5.602 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C)n2/N=C\c2ccc(OCc3ccccc3)cc2)c1 526818365 FYFBXHBVWLIDFG-YUMHPJSZSA-N 442.588 5.957 30 10 IKEE CCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1ccccc1OCC(C)C 526825467 VOXGXOYDLFUZOY-QFEZKATASA-N 426.561 5.579 30 10 IKEE Cc1ccccc1/N=C\C1=C2NC3=C(/C=N\c4ccccc4C)CCC[C@@]3(C#N)C=C2CCC1 606631268 KEEKIIKFXXIHAJ-VZMXUXRSSA-N 446.598 7.324 30 10 IKEE Cc1cc(/C=C2/SC(=Nc3ccc(Cl)cc3)NC2=O)c(C)n1-c1ccc(F)cc1 1083900341 VSJGNGMNXPNKFE-UDWIEESQSA-N 425.916 5.778 30 10 IKEE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(C=NN(c2ccccc2)c2ccccc2)c1C 1084185498 DAJBPOCGLLRONV-UHFFFAOYSA-N 441.491 5.578 30 10 IKEE CC(C)(C)c1ccc(CSc2n[nH]c(NN=Cc3ccc(Cl)cc3Cl)n2)cc1 1084354751 CFAUNQFUTRESKL-UHFFFAOYSA-N 434.396 6.147 30 10 IKEE C=CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(CC(C)C)C1CCCC1 1359202656 ZBMFKYASVSWKDA-UHFFFAOYSA-N 434.588 5.355 30 10 IKEE C=CCN1C(=O)/C(=C\c2cccc3ccccc23)S/C1=N/c1ccc(C(=O)O)c(O)c1 1614234659 XGGPAGIAQNRKRN-LSRULMOLSA-N 430.485 5.034 30 10 IKEE CCOc1ccc(/C=C2/C[C@](O)(C(F)(F)F)C/C(=C\c3ccc(OCC)cc3)C2=O)cc1 1615539764 VYWCULQYUXXSLQ-GVOWZYAYSA-N 446.465 5.607 30 10 IKEE CC(C)c1ccc(/C=C2/SC(=Nc3cccc(C(=O)O)c3)N(c3ccccc3)C2=O)cc1 1772735122 IGMPMGLOQJJAEB-SMQJIGSPSA-N 442.540 6.317 30 10 IKEE Cc1ccccc1/C=C1/SC(=NN=C/C=C\c2ccccc2)N(Cc2ccco2)C1=O 1772758758 CTUFJOPURQYXAN-NTLLLACHSA-N 427.529 5.760 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc3c(OC(=O)Nc4cccnc4Cl)cccc23)c1 1858779930 GNZYCITUIKKCDQ-UHFFFAOYSA-N 442.862 5.623 30 10 IKEE C=CCN(CC=C)C(=O)Cc1c(C)c2cc3c(-c4ccccc4)coc3c(C)c2oc1=O 1860272293 BCGFGVNPPRCPGD-UHFFFAOYSA-N 427.500 5.566 30 10 IKEE CCCOc1ccc(/C=C/C(=O)C(=O)Nc2ccc(C)cc2Br)cc1OCC 1860728713 SZJNKGUTBAFXMK-JXMROGBWSA-N 446.341 5.166 30 10 IKEE O=C(/C=C/c1ccc([N+](=O)[O-])s1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 1860730058 XHLOSIGLEHLQRX-VQHVLOKHSA-N 428.853 5.323 30 10 IKEE CCCCOc1ccc(NC(=O)C(=O)/C=C/c2cccc(OCc3ccccc3)c2)cc1 1860730070 XSTZZCUCPGHOJX-SFQUDFHCSA-N 429.516 5.666 30 10 IKEE CCCCCCCCNC(=O)[C@H](NC(=O)COc1ccc(CCC)cc1)c1ccccc1 1861654889 BLKHHIZXWQZGEX-AREMUKBSSA-N 438.612 5.352 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl 1861838354 JFYRHKNIFLUPAB-FQEVSTJZSA-N 437.968 5.110 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862402249 UNUKUPRRIKBGFL-VWLOTQADSA-N 441.527 5.345 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc(Cl)cc2)cc1C 1862402597 CASCPZDLOOWRKP-OAQYLSRUSA-N 427.928 5.281 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2cccc3ccccc23)cc1C 1862404392 CJCRIBUCZUXSCX-DEOSSOPVSA-N 429.516 5.391 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CC)cc1OCC 1862453816 IRGVXCKQWWMYKN-NRFANRHFSA-N 443.927 5.126 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc(C(=O)O)cc2)c1 1862493584 UBZRWYYPGBHVJA-AMHTUMDSSA-N 447.531 5.159 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@H]2c2ccc(C)cc2)cc1 1862534485 URSOXCVMNUGENU-VWLOTQADSA-N 441.527 5.345 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1cccc(OCC)c1 1862535337 YQXLPCONCQZELD-XMMPIXPASA-N 435.564 5.806 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2CCC(C)C)cc1 1862536683 DOAJCQJZCSYCQN-XMMPIXPASA-N 435.564 5.662 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(C(C)(C)C)cc2)=C(O)C(=O)N1C[C@@H]1CCCO1 1862614109 XYYSHGGVHNBCRO-REWPJTCUSA-N 433.548 5.050 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1cccc(F)c1 1862616564 QOXWSYLGGIGOPQ-HSZRJFAPSA-N 437.555 6.282 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(C(C)C)cc2)=C(O)C(=O)N1CCC1=CCCCC1 1862660534 NNUOMEDAMUBPRH-AREMUKBSSA-N 443.587 6.587 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1 1862721466 FTDUJMYUAHTUPJ-RUZDIDTESA-N 435.479 5.725 30 10 IKEE Cc1cccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(Cl)c(Cl)c3)C2=O)c1 1862909317 JELFEVGFQAQYKY-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(C)cc2)C(=O)N(CCc2ccccc2)C1=O 1863612558 FVAUJWCQQKESLC-UHFFFAOYSA-N 446.635 6.048 30 10 IKEE CCc1nc2ccc(C)cc2c(C(=O)Nc2c(C#N)c(-c3ccccc3F)nn2C)c1C 1866272990 USXLJOHMBGEYHU-UHFFFAOYSA-N 427.483 5.078 30 10 IKEE CCCCCCCCn1cc(OCC)c(=O)cc1CSCc1nc2ccccc2[nH]1 1870237844 ITOJNPOTLDDKIB-UHFFFAOYSA-N 427.614 5.917 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(F)cc2)c(CN(CCC)CCCC)cc1=O 1870410769 FEMGVTJYSMNBNV-UHFFFAOYSA-N 444.635 6.397 30 10 IKEE CCCCCCCCCCn1cc(OCc2c(C)noc2C)c(=O)cc1CN(CC)CC 1870566720 BGEKGIGCKLJPEI-UHFFFAOYSA-N 445.648 6.015 30 10 IKEE CCCCCCCOc1cn(C[C@@H](C)O)c(CNc2ccc(OCCCC)cc2)cc1=O 1870836336 KDJYNMLPJXAISV-OAQYLSRUSA-N 444.616 5.369 30 10 IKEE C=CCn1cc(OCc2ccc(C(C)C)cc2)c(=O)cc1CNc1ccc2nc[nH]c2c1 1870897074 DQDWTSQSWFSQAX-UHFFFAOYSA-N 428.536 5.225 30 10 IKEE C=CCn1cc(OCc2ccc(F)cc2)c(=O)cc1CNc1ccc(OCCCC)cc1 1871073830 SHEJVIVFUHPYTK-UHFFFAOYSA-N 436.527 5.543 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O3)CN(C1CCCCCCC1)CO2 1871348357 AUXLHPPBJOECJZ-UCQKPKSFSA-N 448.519 5.784 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O3)CN(C1CCCCCCC1)CO2 1871349763 ZXVSNZLALBRMOJ-UCQKPKSFSA-N 448.519 5.784 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(Cl)cc4[N+](=O)[O-])c3C)C2=O)o1 1871373258 SSWBRURTKBEJJJ-GRSHGNNSSA-N 439.807 5.293 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc(OC(=O)/C=C/c3ccc(Cl)cc3)c2C)C1=O 1871375220 ZOOWAEXSDULHDS-RKJRYWECSA-N 436.916 6.253 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871375641 WEOJCHYRUZDHDA-HAHDFKILSA-N 448.902 5.811 30 10 IKEE COC(=O)c1ccc(/C=C2\Oc3cc(OC(=O)CC4CCCCC4)cc(C)c3C2=O)cc1 1871380471 PTPQYTMQCLHCAJ-XKZIYDEJSA-N 434.488 5.274 30 10 IKEE Cc1cccc(OCCCCOc2ccc3c(c2C)O/C(=C\c2ccc(Cl)cc2)C3=O)c1 1871403032 BDBWUVFAYAFOKA-UQQQWYQISA-N 448.946 6.811 30 10 IKEE COc1ccccc1/C=C1\Oc2c(ccc(OCC(=O)Nc3ccc(C)c(C)c3)c2C)C1=O 1871458650 FCJBPCITHVUARI-OYKKKHCWSA-N 443.499 5.254 30 10 IKEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 1871830863 ZJIGGGIDFHQKQZ-XMMPIXPASA-N 442.625 5.349 30 10 IKEE C=CCN([C@@H](CC)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1ccc(Cl)cc1 1872226238 JHDSIKCBGQAWEA-NRFANRHFSA-N 449.016 5.232 30 10 IKEE COc1c(Cl)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)C(Cl)(Cl)Cl)n1 1872778096 DAWBHXDZKFGBSD-QMMMGPOBSA-N 444.554 5.672 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 1872785628 RMRPCQMPQSSZIJ-IBGZPJMESA-N 433.533 6.123 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)n2)cc1C 1872787369 IMWROPUMHBKRBQ-GCJKJVERSA-N 448.588 6.203 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCC)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873086183 ZLRPZZXYVZRYJX-UHFFFAOYSA-N 432.608 6.184 30 10 IKEE CCCCCCCCNC1=C(c2c(C)cc(C)cc2C)C(=O)N(CCCCCC)C1=O 1873121336 YMBJGKJVFMIQIG-UHFFFAOYSA-N 426.645 6.222 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2[C@H](C)CC)=C(c2ccc(Cl)c(Cl)c2)C1=O 1873187551 QJTRBZHAYUSRDS-CQSZACIVSA-N 429.347 5.885 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2[C@H](C)CC)=C(c2ccc(C)cc2)C1=O 1873368127 UMVRSLKARNPGKX-JOCHJYFZSA-N 446.635 7.061 30 10 IKEE C=C(C)CSc1nnc(COc2cccc(C)c2C)n1/N=C/c1cn(C)c2ccccc12 1874323149 ANXFGNWKJPHTEA-LGJNPRDNSA-N 445.592 5.516 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1c(F)cccc1Cl 1874327265 FUGYQHDBGVJKRL-OPEKNORGSA-N 444.963 5.817 30 10 IKEE Cc1ccccc1CSc1nnc(COCc2ccccc2)n1/N=C/c1ccccc1O 1874352850 FCSARUPRVPETIS-CVKSISIWSA-N 444.560 5.183 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccccc3Cl)n2/N=C/c2ccccn2)c1 1874365691 PTOGEZJAIKREFO-VULFUBBASA-N 433.968 5.785 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(O)cc1O 1874440388 YJOXRUDMNZGDSU-CVKSISIWSA-N 446.576 5.606 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2c[nH]c3ccccc23)c1 1874446086 SFOBZHDWXLBPAQ-RVWJGDDESA-N 431.565 5.402 30 10 IKEE C=C(C)CSc1nnc(-c2ccco2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874466140 ALTXOAGQRKVGKH-MFKUBSTISA-N 430.533 5.668 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2cccc3ccccc23)nnc1-c1ccco1 1874467661 UZWNZLUMDHRBQQ-WGOQTCKBSA-N 440.528 5.874 30 10 IKEE O=C(O)c1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CCC2)cc1 1874495966 OBKOWPFQIKNTHY-FSJBWODESA-N 426.929 5.072 30 10 IKEE C=C(C)CSc1nnc(C2CC2)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874519446 SZYJKSWUVVWTKM-DHRITJCHSA-N 438.984 5.938 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCCc1ccccc1)c1cccc(Br)c1 1874575874 LGBXSDUKUUHEKR-PKNBQFBNSA-N 441.752 6.620 30 10 IKEE COc1c(Br)cc(Br)cc1/C=C/C(=O)c1ccc(C(C)C)cc1 1874583194 BLVDITYDEKEBMB-CMDGGOBGSA-N 438.159 6.240 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)c1OCc1cccc(C)c1 1874591975 LVMCVDZMFORGNN-JQIJEIRASA-N 438.523 6.641 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2cccc(OCc3ccccc3)c2)cc1 1874598081 SQAKGTFVTFTKOY-HMMYKYKNSA-N 428.572 7.511 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)ccc1OCc1ccc(C)cc1 1874604518 RFFKAVDLWYLDCA-JLHYYAGUSA-N 432.516 5.886 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OCC(=O)Nc1ccccc1F 1874608193 ARZMOILUESXLBD-ZRDIBKRKSA-N 439.870 5.401 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCc3c(Cl)cccc3Cl)c(Cl)c2)c(C)c1 1874615336 SEPJYRPOAACFHS-JXMROGBWSA-N 445.773 7.739 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OCc3cc(C)ccc3C)c(OC)c2)c1 1874620707 PBNNRNCIYNGKHZ-DHZHZOJOSA-N 432.516 5.804 30 10 IKEE Cc1ccc(C)c(COc2ccc(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2[N+](=O)[O-])c1 1874621046 HHDDYXDDNMXDQY-VMPITWQZSA-N 431.444 5.415 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2)c1 1874624063 KGRHJIZLDUFXPI-VGOFMYFVSA-N 427.544 6.340 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(OC)c1OCc1ccccc1 1874624954 FHXJRYJLBCXMBO-SFQUDFHCSA-N 426.556 7.022 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OCCc1ccccc1 1874626888 BNRRSOQRJBFOKD-ACCUITESSA-N 444.571 6.653 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OCc1cc(C)ccc1C 1874628747 UNDNZJYUVQLZJH-FMIVXFBMSA-N 430.544 6.413 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccccc3C)c2)c(OCC)c1 1874714865 RMQZEGYIBDMSRG-DTQAZKPQSA-N 430.500 5.908 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3OC)c([N+](=O)[O-])c2)cc1 1875100878 LZJNYVFNZDUQIE-GXDHUFHOSA-N 431.444 5.281 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(C(F)(F)F)cc2)c(Cl)c1)c1ccccc1 1875127971 HWDCDUWHVHZEIL-WUXMJOGZSA-N 430.809 6.474 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)c1cccc2ccccc12 1875136963 OXJXCTLHNFOIMV-GHRIWEEISA-N 436.507 6.662 30 10 IKEE CCCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2cc(C)ccc2C)cc1OCC 1875139862 DUSQILONZPDTPL-ZHACJKMWSA-N 445.353 6.066 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(F)c(F)c1F 1875159269 KWJCELIZGUBUEQ-WTDSWWLTSA-N 430.353 5.367 30 10 IKEE O=C(COc1cc(F)ccc1F)Oc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1 1875162070 VSGOSKZXTGLFOD-XCVCLJGOSA-N 430.353 5.124 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1ccc(Cl)cc1 1875169853 AXOVBPVIEAQHPJ-WUXMJOGZSA-N 448.946 6.698 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)c(C)c3)c(Cl)c2)cc1C 1875188436 VJYQMXYLGWZJNS-JXMROGBWSA-N 448.946 6.698 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@]1(CCC)CCCN(C(=O)OC(C)(C)C)C1 1922090829 CUYSPDMNRRTQCX-BVAGGSTKSA-N 430.633 5.555 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)NCC 1922117297 YTTUOZLIPIVAHL-QDSKXPNFSA-N 430.633 5.411 30 10 IKEE CC[C@H]1CC[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)CN1C(=O)OC(C)(C)C 1996583784 UPTWTDORAUWSOZ-GAJHUEQPSA-N 449.617 5.557 30 10 IKEE CCCCCCCCC[C@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCC 2035462274 QEIANOJLWVYZNU-JWQCQUIFSA-N 448.692 6.605 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)CC#CC2CCCCC2)C1 2041906614 QMYGPJQRKFYVGS-MHZLTWQESA-N 439.596 5.373 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@@H]1C1CC1 2067980308 ORNWBOIYWXFVJL-CJFMBICVSA-N 441.572 5.418 30 10 IKEE COc1ccc([C@@H](n2nc(C(C)C)c(C#N)c2I)C2(C)CC2)cc1C 2079938262 DQXLEILSAQLUSD-GOSISDBHSA-N 449.336 5.189 30 10 IKEE CCCOc1ccc([C@H](n2nc(C3CCC3)c(C#N)c2Br)C(C)(C)C)cc1 2080068698 GNFGJKAADQVKGX-FQEVSTJZSA-N 430.390 6.209 30 10 IKEE Fc1cccc(C(F)(F)F)c1-c1cc(Cl)n2nc(C(F)(F)F)c(C3CCC3)c2n1 2081195522 NUBYLZMAGBSLKL-UHFFFAOYSA-N 437.746 6.494 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cccc(Br)c1Cl 2081391262 FCFFZCHIXIHXSJ-RDJZCZTQSA-N 431.802 5.613 30 10 IKEE C=CCN(C[C@@H](NCCC)c1cc(Cl)cc(Br)c1)C(=O)OC(C)(C)C 2081562647 ODFIWINYMOWNAB-QGZVFWFLSA-N 431.802 5.566 30 10 IKEE CCCC#CCC(=O)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2083463101 UHFAGTIRXFEPPE-NDEPHWFRSA-N 428.528 5.641 30 10 IKEE CC(C)c1ncc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)s1 2114344266 NTAFBVSBFPUTFF-HNNXBMFYSA-N 436.375 6.035 30 10 IKEE C=CCN(CC[C@@H](NCC)c1cc(F)c(Br)c(F)c1)C(=O)OC(C)(C)C 2142189419 UGODKRONGQVCLP-MRXNPFEDSA-N 433.337 5.191 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCCC[C@H]1C(F)(F)F 2144653815 IQTFWWDOTULYOB-CRAIPNDOSA-N 447.295 6.205 30 10 IKEE COc1ccc(Nc2cc(Br)cc(F)c2C#N)cc1NC(=O)OC(C)(C)C 2163708607 PIIKNZLJXPKTPZ-UHFFFAOYSA-N 436.281 5.559 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(C#N)c(Br)c2F)[C@@H]1C(C)(C)C 2192488501 QDOPPEMWFJTRHC-WMLDXEAASA-N 440.357 5.296 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 2220388472 BPIVCMIUFRDJEZ-SRGWNRLKSA-N 447.551 5.495 30 10 IKEE C=CCN(CC[C@H](NCC)c1ccc(Br)cc1CC)C(=O)OC(C)(C)C 2229247090 SMHUQAIGQNTKJX-IBGZPJMESA-N 425.411 5.475 30 10 IKEE CC#CCC[C@@H](NCCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237413922 OEJHZLIUQFSWOB-WOJBJXKFSA-N 437.422 5.057 30 10 IKEE C=C(COCc1ccccc1)[C@H](CCCCCCCCCNC(=O)OC(C)(C)C)NC 2248829132 VHYGRAAYVWWYKG-DEOSSOPVSA-N 432.649 5.993 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C1CC(C2CN(C(=O)OC(C)(C)C)C2)C1 2250494313 APBAAORHWUZIJK-IWAAJCSBSA-N 428.617 5.021 30 10 IKEE C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2255640844 MGOHPFQJEDRNJH-KRWDZBQOSA-N 439.792 5.080 30 10 IKEE CCCCCC#CC[C@H](NCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2256702225 KYOAMSOWVNHREY-DEOSSOPVSA-N 442.644 5.392 30 10 IKEE Cc1cc(C)cc(N=C2NC(=O)C(=Cc3cc(C)n(-c4cc(C)cc(C)c4)c3C)S2)c1 2294025379 ODEYDXCZDABXND-UHFFFAOYSA-N 429.589 6.219 30 10 IKEE CCC[C@]1([C@@H](O)C#Cc2cccc(Br)c2)CCCCN1C(=O)OC(C)(C)C 2296223539 AWCIOSOIFWKNRT-SIKLNZKXSA-N 436.390 5.121 30 10 IKEE CCOC(=O)c1c(C)oc2c1C(=CNCCc1c[nH]c3ccccc13)C(=O)c1ccccc1-2 2297312530 LOORQDQPUJQCAW-UHFFFAOYSA-N 440.499 5.283 30 10 IKEE Cn1cc(C=C2C[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]3(C)C2=O)c(-c2ccccc2)n1 2297576345 ZWJGCLYWSNNVLL-JMDODURXSA-N 438.571 5.911 30 10 IKEE COc1ccc(C=C2Oc3c(ccc4c3[C@@H](c3ccnc5ccccc35)CC(=O)O4)C2=O)cc1 2297596353 XHQWTGPOCVGBEE-OAQYLSRUSA-N 449.462 5.301 30 10 IKEE C=CCC(CC=C)[C@@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)NCCC 2301036150 DBVJTIVUFNGRGV-XMMPIXPASA-N 429.649 5.150 30 10 IKEE CCc1cccc(C)c1-n1c(C)cc(C=C2SC(=Nc3ccc(OC)cc3)NC2=O)c1C 2313556295 UVQLNQVTPOSERG-UHFFFAOYSA-N 445.588 5.865 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)C(=Cc1ccccc1)NC(C)=O 2313730764 KJRPQCIYDJHIAJ-UHFFFAOYSA-N 428.661 6.761 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1ccc(Br)cc1)C2=O)c1ccccc1 2314437453 MVDCCKPLRWVNSO-UHFFFAOYSA-N 435.273 5.327 30 10 IKEE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2Oc3ccc(C)cc3C2=O)cc1 2314519330 JGYCZUBKKOJRNX-UHFFFAOYSA-N 436.511 6.253 30 10 IKEE C=CCOc1ccccc1C=C1SC(=Nc2nc(C)cs2)N(c2ccccc2)C1=O 2314543855 NXNHLYMKVVTIPN-UHFFFAOYSA-N 433.558 5.825 30 10 IKEE Cn1cccc1C=C1SC(=Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C1=O 2314600111 GPVIUJYRJXIINV-UHFFFAOYSA-N 428.344 6.141 30 10 IKEE COc1ccccc1C=C1Oc2cc(OCc3ccc(Cl)cc3Cl)cc(C)c2C1=O 2321779945 YEMZSIVDIYNAFW-UHFFFAOYSA-N 441.310 6.506 30 10 IKEE Cc1ccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C(F)(F)F)[nH]1 2321802455 LGOZTEXRSQTZME-UHFFFAOYSA-N 434.274 5.415 30 10 IKEE CCN(CC)C(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccc2ccccc2c1 2322318998 UUHBTYIJADKCBD-UHFFFAOYSA-N 437.539 6.136 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2cc(C)ccc2C)cc1OC 2322350232 JAQINOKDHIETDK-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2nccs2)cc1C 2322415515 FECDUTJUWNHZMZ-UHFFFAOYSA-N 442.924 5.027 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2cccc3ccccc23)cc1F 2322711343 CPHQFPAMDPWZAP-UHFFFAOYSA-N 442.486 6.471 30 10 IKEE Cc1cc(OC(=O)C2CCCCC2)cc2c1C(=O)C(=Cc1ccc(Br)cc1)O2 2322738203 KBPICFFKHXOZRX-UHFFFAOYSA-N 441.321 5.859 30 10 IKEE O=C(C=Cc1cc(Br)ccc1OCc1ccccc1Cl)c1ccc(F)cc1 2322738288 GVKAKCORLLBRMW-UHFFFAOYSA-N 445.715 6.717 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccccc1OCc1nc(O)c2ccccc2n1 2322845604 XVUPZFOIPDVXTH-UHFFFAOYSA-N 440.499 5.436 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)c4cc5cccc(OC)c5o4)ccc3C2=O)cc1 2322856705 COBDMRKGYOIUOQ-UHFFFAOYSA-N 442.423 5.285 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Br)cc(OC)c2OCC)c(OCC)c1 2322922649 OPMZGCNUIQZZJU-UHFFFAOYSA-N 449.341 5.550 30 10 IKEE O=C(COc1cccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)c1)Nc1ccccc1F 2323150885 SCTMXUDVBFNQFT-UHFFFAOYSA-N 444.289 6.046 30 10 IKEE COc1cc(C=NNc2nc3ccccc3s2)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 2323153800 JZFWGISDCJWNNM-UHFFFAOYSA-N 448.504 5.547 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3cc(OC(=O)C=Cc4ccco4)ccc3C1=O)cn2C 2323163262 DWQFFBVGKIGRQD-UHFFFAOYSA-N 441.439 5.015 30 10 IKEE CCc1ccccc1NC(=O)COc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC 2323164096 PEGGTDXNFHDSCA-UHFFFAOYSA-N 443.543 5.788 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc1OCc1ccccc1C 2323231855 WMZDBUNYKQVTGS-UHFFFAOYSA-N 444.571 6.919 30 10 IKEE CCCOc1c(OC)ccc(C=CC(=O)c2cc(C)cc(C)c2OC)c1Br 2323259902 WMRPWFNGPJGTBJ-UHFFFAOYSA-N 433.342 5.768 30 10 IKEE CCCOc1ccccc1C=CC(=O)Oc1cc(C)c2c(c1)OC(=Cc1cccnc1)C2=O 2323341454 ACKURTVVBQKBGT-UHFFFAOYSA-N 441.483 5.414 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 2323768001 ZDTYVQVFHKDXRU-UHFFFAOYSA-N 437.879 6.122 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(OC)c2)C3=O)c1 2323799738 OWIJLMOVILDGFM-UHFFFAOYSA-N 430.456 5.238 30 10 IKEE CCOc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc1 2324725849 AZQCVSDRCPJZRM-NRFANRHFSA-N 432.545 5.724 30 10 IKEE COc1cc(OC)c(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(C)cc3)n2)cc1Cl 2324745112 OTEVTQLPUGYWTI-KRWDZBQOSA-N 438.936 5.679 30 10 IKEE Cc1c(OCC(=O)NC2CCCCC2)ccc2c1OC(=Cc1c(F)cccc1Cl)C2=O 2325327241 JSAXNZZGRXLHNI-UHFFFAOYSA-N 443.902 5.231 30 10 IKEE CCCC(=O)Oc1cc(C=CC(=O)c2ccc(C)cc2C)c(Br)cc1OC 2325736061 DHQQEVSCEIPEEM-UHFFFAOYSA-N 431.326 5.676 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OC(=O)c1ccc(-n2cccc2)cc1 2325737619 GJMLWCFASVNDCK-UHFFFAOYSA-N 437.495 5.910 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OC(=O)c1ccc(OC)c([N+](=O)[O-])c1 2325737903 ADTLEVRNBGLQKA-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)CCCOc3ccccc3Cl)c2)cc1 2325738410 YMCYOFVOEKZVFV-UHFFFAOYSA-N 434.919 6.309 30 10 IKEE Cc1cc(C(=O)C=Cc2cccc(OC(=O)[C@@H](C)Oc3ccc(Cl)cc3)c2)ccc1F 2325741991 XIDCXWSTFLURJC-QGZVFWFLSA-N 438.882 6.057 30 10 IKEE O=C(C=Cc1cccc(OC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)c1)c1ccc2c(c1)OCO2 2325747690 KGMPLUPAWYBYGV-RTWAWAEBSA-N 446.886 5.674 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OC(=O)COc1ccc(C)c(C)c1 2325759761 PCGSQRQPBBJDRC-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC(=O)c2cccc([N+](=O)[O-])c2)c1 2325765800 GVOVTQKVIZZKKN-UHFFFAOYSA-N 443.499 6.316 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1ccccc1O 2325909012 HZVQHPZUVDUJHB-UHFFFAOYSA-N 449.363 5.420 30 10 IKEE CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1cccc(Cl)c1 2326127307 CYUWMCVPROULMO-UHFFFAOYSA-N 435.380 5.775 30 10 IKEE C=C(C)CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccccc1C 2326130554 FXOZVOKMSMVZKT-UHFFFAOYSA-N 441.000 5.986 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1ccccc1O 2326322750 UZBNWCUMUISAGZ-UHFFFAOYSA-N 436.581 5.108 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1cccc(OCC(C)C)c1 2326415970 QAOGGIZCZFWVLY-UHFFFAOYSA-N 436.625 6.057 30 10 IKEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1cccc(C(F)(F)F)c1 2326489348 TVVVUOFVQMCKTL-UHFFFAOYSA-N 445.297 6.087 30 10 IKEE CCn1c(C)c(C=Nn2c(C)nnc2SCc2c(F)cccc2Cl)c2ccccc21 2326569950 RXAVREBIFQMTDL-UHFFFAOYSA-N 441.963 5.837 30 10 IKEE CCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccc(OC)c(OC)c1Cl 2326592264 LENRFIYVJWXDGS-UHFFFAOYSA-N 444.988 5.302 30 10 IKEE CC(C)COc1cccc(C=Nn2cnnc2SCc2ccc(Br)cc2)c1 2326606580 ZVSUVJYZELTDBQ-UHFFFAOYSA-N 445.386 5.250 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(F)cc3)n2N=Cc2ccc(F)cc2)cc1 2329796311 ZQCWYWSWLMHPPZ-UHFFFAOYSA-N 434.515 5.630 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cc(C)ccc3C)n2N=Cc2ccccc2O)cc1 2329995329 COIVOUAFFJLMSW-UHFFFAOYSA-N 442.588 5.674 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccncc1 2330136712 FPCWTFMUJPJVEB-KRWDZBQOSA-N 433.968 5.653 30 10 IKEE Oc1ccccc1C=Nn1c(SCc2cccc3ccccc23)nnc1[C@@H]1CCCO1 2330979702 RRPJCFNRGZJDFF-QFIPXVFZSA-N 430.533 5.163 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2[N+](=O)[O-])c1 2331146248 KJHKLFOREDFBIJ-UHFFFAOYSA-N 449.890 5.909 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc(F)c2)c(Br)c1)c1ccccc1 2331168006 HDEUBCIPAGVLFD-UHFFFAOYSA-N 425.253 5.704 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3)c(OC)c2)cc1 2331311642 IIMWLEDYBDVJGC-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc([N+](=O)[O-])c1OC(=O)CC(C)C 2331342978 KAOHGKPCKVNPLP-UHFFFAOYSA-N 429.444 5.289 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2Cl)c1 2331416201 UPFSQCMJURKOEH-UHFFFAOYSA-N 446.974 7.370 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1Cl 2331437861 ONKMGNYRFSSUKG-UHFFFAOYSA-N 426.896 5.841 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1F 2331451137 ROSSPKQBVNDAMD-UHFFFAOYSA-N 426.443 6.103 30 10 IKEE O=C(Cc1ccc(F)cc1F)Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1 2331468608 CODSWXUNLKZESR-UHFFFAOYSA-N 428.434 6.162 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)c1ccc(C)c(C)c1 2331539713 OCVZIGZLSFANTB-UHFFFAOYSA-N 444.502 6.295 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1Cl)c1ccccc1F 2331860209 ZFIBOKJVQSIWGK-UHFFFAOYSA-N 449.692 6.901 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1c(C)c(C)c(Br)c(C)c1C 2345961352 IKHBJHAIKROXSW-VQIMIIECSA-N 425.411 5.413 30 10 IKEE CCCN[C@H](C#CC(C)(C)OC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2363534888 OWZSLPUBDZALOQ-GOSISDBHSA-N 439.394 5.265 30 10 IKEE CN(C[C@H]1CCCN(Cc2ccccc2)C1)c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2365118243 YNSYIUKVKOMRKI-XMMPIXPASA-N 447.432 5.075 30 10 IKEE CO[C@@H](C#C[C@H](O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1)C1CCCC1 2369526532 LXDGCMDVVOSMIW-OALUTQOASA-N 438.362 5.038 30 10 IKEE CSc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc1 21228738 PDMRNOXTEQDRIM-QLXKLKPCSA-N 447.003 7.041 30 10 IKEE O=[N+]([O-])c1cc(/N=C/c2ccc3ccccc3c2)ccc1/N=C/c1ccc2ccccc2c1 27831365 KQFVFXUFXIHRLK-ZZASANORSA-N 429.479 7.402 30 10 IKEE COc1cc(/C=C2/CC/C(=C\c3ccc(OC(C)C)c(OC)c3)C2=O)ccc1OC(C)C 33334027 BPFXIWBXTKYKNV-VOKWCDJLSA-N 436.548 6.108 30 10 IKEE CCCCOc1ccc(C(=O)/C(=C\c2ccc(Cl)cc2)c2nc3ccccc3o2)cc1 33618582 LBYMAGCKHUAGHX-OQKWZONESA-N 431.919 7.084 30 10 IKEE C=CCNC(=O)[C@H](C)Oc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1ccc(C)cc1)CC2 34671788 CUBSDPUTKIWKAF-DWACAAAGSA-N 440.587 5.212 30 10 IKEE COc1cc(/C=C\C(=O)c2ccc(OC(=O)c3ccc(C)cc3)cc2)cc(OC)c1OC 34954244 YHUYLNLSPVXXRA-AUWJEWJLSA-N 432.472 5.136 30 10 IKEE C=CCOc1ccc([C@H]2c3c(oc4ccc(CC)cc4c3=O)C(=O)N2c2nccs2)cc1 38730632 PEJNDNKVBUJLBC-NRFANRHFSA-N 444.512 5.127 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OCC(=O)OC(C)(C)C)cc(C)c3C2=O)c2ccccc21 41432403 HOFDKJOMSLSBKK-UUYOSTAYSA-N 433.504 5.306 30 10 IKEE Cc1ccc(CN2COc3c(cc4c(c3C)O/C(=C\c3ccc5c(c3)OCO5)C4=O)C2)cc1 41588798 IACNVHVXWJLLNY-VROXFSQNSA-N 441.483 5.000 30 10 IKEE C(=N/Nc1nc(SCc2ccncc2)n[nH]1)\c1ccc2ccc3cccc4ccc1c2c34 59310267 JSQVBIQWMUIMDU-MZJWZYIUSA-N 434.528 5.835 30 10 IKEE Cc1cccc(/N=C2/C(=O)N(CN(C3CCCCC3)C3CCCCC3)c3ccccc32)c1C 59377817 BKWBVSQOHJQCCB-SJCQXOIGSA-N 443.635 6.696 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccco2)C4)cc1 62993099 PVLTZAXKCSZNBD-OYKKKHCWSA-N 444.531 5.403 30 10 IKEE C=C(C)COc1ccc(NCC(=O)Nc2cccc(OCCCc3ccccc3)c2)cc1 66062143 XOHBYWKFEMMTOU-UHFFFAOYSA-N 430.548 5.704 30 10 IKEE O=C(/C=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1cccc(N2CCOC2=O)c1 72047177 MVSIPSNXSMIJHA-VMPITWQZSA-N 438.823 5.361 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1CNc1nc2ccccc2n1Cc1ccc(C#N)cc1 95086495 KUUIXODBAGSPAO-NRFANRHFSA-N 445.567 5.158 30 10 IKEE N#Cc1cccc(COc2ccc(NCc3cc(=O)oc4ccc5ccccc5c34)cc2)c1 97543305 JRQKATYGNLMNGJ-UHFFFAOYSA-N 432.479 6.009 30 10 IKEE CCCCCCCOc1ccc(NCC(=O)Nc2cccc(C(=O)NCCC)c2)cc1 100077760 RZXNVPAFCIKZMF-UHFFFAOYSA-N 425.573 5.226 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)c1ccc(OCCC(C)C)cc1 100150941 ZIMBQDMDXFDSMT-UHFFFAOYSA-N 431.705 8.323 30 10 IKEE CCCCCCCOc1ccc(NC(=S)NC(=O)c2ccc(O[C@H](C)CC)cc2)cc1 100251631 HUMRQVKEULTRAU-LJQANCHMSA-N 442.625 6.340 30 10 IKEE CN1C(=O)/C(=C/C(Cl)=C/c2ccccc2)S/C1=N/c1nc(-c2ccccc2)cs1 101130096 JFZGEKGLDWXPMH-AMGIMTBESA-N 437.977 6.167 30 10 IKEE Cc1ccc(C(C)(C)C)cc1S(=O)(=O)N/N=C/c1ccccc1OCc1ccccc1 169902284 MAUUQSSBHWUAJV-YZSQISJMSA-N 436.577 5.184 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@@H](c2ccccc2OCc2ccc(C)cc2)NC(=S)N1C 169935162 DORZTRKPQTVODB-RUZDIDTESA-N 442.584 5.592 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2cccc(C)c2)c1 169965972 KHZNJICDQGKTAP-XMMPIXPASA-N 438.483 5.268 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(OC(C)C)c2)ccc1F 169981462 LEVAKMOIGFBJQL-QHCPKHFHSA-N 437.511 5.442 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccco2)c1 170038773 FOPMRCPXNCQWDE-HSZRJFAPSA-N 431.488 5.074 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1ccc(F)cc1 170064106 GNMOCHWTMGQLDS-HSZRJFAPSA-N 437.417 5.206 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1c[nH]c2ccccc12)c1ccc(Cl)cc1 170078349 WZCJSEUERMCDEX-JOCHJYFZSA-N 434.923 5.732 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1CCCOC(C)C 170107699 SWQCPFNWGVZDMV-JOCHJYFZSA-N 449.572 5.603 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1cccc(C)c1 170145816 GUADENFISMYBKH-HSZRJFAPSA-N 435.564 5.216 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2ccc(OC(C)C)cc2)c1 170152259 HUQNIYGUSJMYHI-QHCPKHFHSA-N 437.536 5.251 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2cccs2)c1 170157960 MJHVUPDHYOEPHP-QFIPXVFZSA-N 449.528 5.165 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)cc(Cl)c2OC)[C@@H]1c1cccs1 170164920 GBXKZZGRBDTOPB-INIZCTEOSA-N 440.348 5.442 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCC)cc1 170215783 DAIJMYXFXSQHPQ-XMMPIXPASA-N 429.516 5.617 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2ccccc2)ccc1Cl 170227337 JUYVPUBTEONRFH-QFIPXVFZSA-N 449.890 5.140 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)cc1 170236706 ZRZVKLGSKPIHPV-LJQANCHMSA-N 428.872 5.017 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccc(F)cc1)c1ccc2ccccc2c1 170242059 YCMSCYXBLNDAJS-DEOSSOPVSA-N 438.458 5.152 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1ccccc1C 170271343 VHKWDJZSJMHFSS-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2C)cc1Cl 170272445 DIKNYUMGAWYAFZ-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@@H]2c2ccco2)c1 170278844 IDZHLVJXIRCYEA-QHCPKHFHSA-N 447.487 5.167 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccco2)c1 170297054 ZJXZRRJZCFCTGE-HSZRJFAPSA-N 427.456 5.421 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2ccc(C)c(C)c2)o1 170301594 OYMSPWDHKWRUTQ-QHCPKHFHSA-N 426.472 5.469 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccc(C)o2)cc1 170301770 UAKNZFLVPAULCT-XMMPIXPASA-N 445.515 5.777 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@@H]1c1ccc(C)o1 170302534 WNEZXPYELKHLJL-HSZRJFAPSA-N 447.487 5.005 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(Cl)cc(Cl)c2)c1 170388725 KHTQJKFNNWFMGX-LJQANCHMSA-N 428.271 5.678 30 10 IKEE Cc1ccc(-c2nc3ccccc3[nH]2)cc1N=Cc1cc(Br)cc(Cl)c1O 252617416 KSJYUJRNBIRKMZ-UHFFFAOYSA-N 440.728 6.410 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)SC1=Nc1ccc(C)c(C)c1 254615559 OVQFSPIYGSAIGZ-HBAYPHMUSA-N 446.528 5.886 30 10 IKEE Cc1cc(C=NNc2nc3ccccc3s2)c(C)n1-c1ccc(Br)cc1 254696440 RNKFCDFKWWMQPM-UHFFFAOYSA-N 425.355 5.912 30 10 IKEE Cc1nc(NN=C2C[C@H]3C[C@H]2[C@H](C)C3(C)C)sc1C(=O)Nc1cccc([N+](=O)[O-])c1 254757320 KEQZDFJKOYAAEQ-GHJWDPDVSA-N 427.530 5.082 30 10 IKEE C[C@H](ON=Cc1ccccc1OC(F)F)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 254793040 XWEUAZVKUAQIIA-VIFPVBQESA-N 437.657 5.626 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(OC)c(Cl)c2)cc1 526487489 ZGCFAMIHCSLPIP-QHCPKHFHSA-N 446.890 5.286 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccccn2)cc1Cl 526520611 ITEUFFVQVIXHQH-QFIPXVFZSA-N 431.879 5.063 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1cccc(Br)c1 526802791 NCXUJXIDWFKUSA-UUYOSTAYSA-N 433.350 5.307 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1ccc(N(CC)CC)cc1 526811510 MGFCSTFHPHGZHN-ONUIUJJFSA-N 435.641 5.868 30 10 IKEE CCOc1cc(/C=N\n2c(C)nnc2SCc2cccc3ccccc23)ccc1OC 526821322 MJDUPWMCORPBPX-MYYYXRDXSA-N 432.549 5.322 30 10 IKEE CCOc1cc(/C=N\n2c(CC)nnc2SCc2cccc3ccccc23)ccc1OC 526821372 PDEGGNPCEHZRQL-QQXSKIMKSA-N 446.576 5.576 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccc(C(=O)O)cc1 526822020 QEWNYTYDWIRLHS-MYYYXRDXSA-N 430.533 5.257 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(NC(=O)Nc3ccc(CC)cc3)CC2)c1 586090109 FCZKEQPTKBFCLU-UHFFFAOYSA-N 448.611 5.513 30 10 IKEE CCCCCCCCC[S@@](=O)CC(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 586354437 VKQXSHMCUSFSNA-GDLZYMKVSA-N 441.659 5.241 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@](C#N)(N(C(=O)OC(C)(C)C)C3CCCCC3)CC[C@H]2C1 698355813 WJOFOYGWZKIQLL-OSWQYVSFSA-N 447.620 5.486 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1cccc(Cl)c1F 698408495 SBFOYPVNYTVXMH-MRXNPFEDSA-N 439.712 6.248 30 10 IKEE COc1cc(C=Nc2ccccc2Br)ccc1OCc1cccc(C(=O)O)c1 1083959412 IGMBEJZTYYEMBO-UHFFFAOYSA-N 440.293 5.486 30 10 IKEE Cc1nnc([C@H](C)Sc2n[nH]c(NN=Cc3c4ccccc4cc4ccccc34)n2)o1 1084394265 QTSKCFJPYZYNOG-ZDUSSCGKSA-N 429.509 5.102 30 10 IKEE CN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=Nc1ccccn1 1772730324 DOHOYRWNPYJWGG-BPHBXOPHSA-N 440.868 5.137 30 10 IKEE Cc1cccc(NC(=S)N/N=C\c2cn(-c3cccc(F)c3)nc2-c2cccs2)c1 1857809175 QDSCPFWXQRJERY-CFRMEGHHSA-N 435.553 5.369 30 10 IKEE COc1cccc(NC(=S)N/N=C\c2cn(-c3ccc(C)cc3)nc2-c2ccccc2)c1 1857811953 LQKCHXVPRFRTBL-QQXSKIMKSA-N 441.560 5.177 30 10 IKEE N#Cc1ccc(NC(=O)c2nn(Cc3ccc(F)cc3)c(-c3ccc(F)cc3)c2Cl)cc1 1859384175 BZAVMWGKUVEUPH-UHFFFAOYSA-N 448.860 5.654 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)c1ccccc1OCC(C)C 1861357023 ZABPQGKBGOUOHQ-HSZRJFAPSA-N 432.649 5.877 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1cccc(F)c1 1862381898 IJINGEVULFBIIC-IBGZPJMESA-N 436.310 5.901 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@H](C)c2ccccc2)c1 1862489674 YBYQOZJLNYLGBW-CLOONOSVSA-N 441.527 5.652 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccccc2F)ccc1F 1862501723 IXHJITUEKDMMGU-OTPBECDQSA-N 425.475 5.430 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@H]2c2ccccc2F)cc1 1862529616 IMVWGGYMNCCICV-DEOSSOPVSA-N 445.490 5.045 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@H]2c2cccc(F)c2)cc1 1862529702 JFJVOSQDKKYQEN-QHCPKHFHSA-N 449.909 5.820 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2CCCC)cc1 1862538144 IQYHEIJAGMAAII-DEOSSOPVSA-N 435.564 5.806 30 10 IKEE CN1CCCc2cc([C@@H]3C(C(=O)c4ccc(C(C)(C)C)cc4)=C(O)C(=O)N3C3CC3)ccc21 1862622335 DAHYATUEYPSCRD-XMMPIXPASA-N 444.575 5.107 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(Cl)c(Cl)c1 1862658201 NWSGMELASZSKSS-HXUWFJFHSA-N 426.299 5.745 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862662182 UNOKBXQYQXOITQ-RUZDIDTESA-N 442.559 6.202 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(OC(C)C)c(OC)c1 1862670828 CTKGYTXYRVNIBR-HSZRJFAPSA-N 437.536 5.204 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc2ccccc12 1862678143 ORDCIZDQAGXPIW-XMMPIXPASA-N 431.507 6.138 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(C(C)C)cc1 1862691832 WTJBMZRIVNVYGO-DEOSSOPVSA-N 435.564 5.977 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc(O)c1 1862713647 SNIUUTYGJKMGJC-HFJWLAOPSA-N 449.506 5.885 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(OC(C)C)c(OC)c1 1862718512 BTMMEQOYBHMUQT-DEOSSOPVSA-N 445.515 5.234 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(F)cc1F 1862725226 DERKXXMNZCEGEY-HSZRJFAPSA-N 433.454 5.619 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)c1 1862747351 PUITYQGTPWBSTE-QGCDCVKKSA-N 434.492 5.060 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cccc(Cl)c3)C2=O)cc1C 1862874110 XKIPYIGXTKWURN-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE Cc1ccc(C2=C(Nc3cc(Cl)ccc3C)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862902861 FPZYPJOXOOMPHC-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(CC)cc2)=C(c2ccc(F)cc2F)C1=O 1863309769 PCAVOWAEMTXGMZ-UHFFFAOYSA-N 440.534 6.080 30 10 IKEE CCCCCCCCN1C(=O)C(NCCc2ccc(Cl)cc2)=C(c2cccs2)C1=O 1863805384 VBQDQHXCHNLCAX-UHFFFAOYSA-N 445.028 5.674 30 10 IKEE CCCCCCCOc1cn(CC)c(CSc2nc3ccccc3n2CCC)cc1=O 1870251942 XTEYUMYHJZGERM-UHFFFAOYSA-N 441.641 6.269 30 10 IKEE CCCCCCCOc1cn(C[C@@H]2CCCO2)c(CSc2ccc(C)cc2)cc1=O 1870252062 BFAKUAUAXXNUHF-QFIPXVFZSA-N 429.626 5.977 30 10 IKEE CCCCOCCCN1COc2c(cc3c(c2C)O/C(=C\c2sccc2C)C3=O)C1 1871355696 GZDGUUDEPNWLOW-MOSHPQCFSA-N 427.566 5.340 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc3C2=O)c1 1871382940 GWEJPZHZCNMHGH-QFEZKATASA-N 444.483 5.565 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)c4cccc(OC(C)C)c4)cc(C)c3C2=O)cc1 1871388449 WXOPECQTGADERA-QFEZKATASA-N 442.511 6.180 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc(O)c3CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)C2=O)cc1 1871394463 ZNTVHIQAFIUWOV-TYDNZCBRSA-N 447.575 5.808 30 10 IKEE O=C1/C(=C/c2cc(Cl)cc3c2OCOC3)Oc2cc(OCCCc3ccccc3)ccc21 1871399595 OCZNNCPAHUHBEY-CFRMEGHHSA-N 448.902 5.834 30 10 IKEE CCCCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 1871400949 PYAFCGYETJVMEU-GRSHGNNSSA-N 435.303 5.640 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(OCC)cc1)C2=O 1871430357 IGOWYMVPQZGAKP-KQWNVCNZSA-N 437.536 5.037 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)CC 1871845490 BYXAANBINWWWAL-HSZRJFAPSA-N 444.597 5.060 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1ccc(F)cc1 1872089113 GLRBUKSAGYJOTG-QHCPKHFHSA-N 446.588 5.152 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccccc1C(C)C)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1872460042 BEWHELJLASYSNU-RDPSFJRHSA-N 442.625 5.430 30 10 IKEE CN(C)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1[N+](=O)[O-] 1872760775 XOZURDADAYRFJM-IBGZPJMESA-N 442.500 5.428 30 10 IKEE CCc1cccc(CC)c1N1C[C@H](C(=O)[C@@H](C#N)c2nc(-c3cccs3)cs2)CC1=O 1872774398 PUTJOCBIRGHOHD-QZTJIDSGSA-N 449.601 5.226 30 10 IKEE COc1cc(-c2csc([C@@H](C#N)C(=O)c3ccnc(Cl)c3)n2)c(OC)cc1Cl 1872782167 FYQRVOIIROUGHF-LBPRGKRZSA-N 434.304 5.019 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccccc3C)n2)c(OC)c1 1872784794 XVDMMULCWGCPIH-IBGZPJMESA-N 436.533 5.171 30 10 IKEE CC(C)c1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 1872788258 YMJBBABOVULUJT-CEQQRPIWSA-N 441.383 7.130 30 10 IKEE CCCCCCCCN1C(=O)C(NC2CCCCC2)=C(c2ccc(OC)c(OC)c2)C1=O 1873019047 MAMUXSFQMPKZJH-UHFFFAOYSA-N 442.600 5.067 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/Nc2cnn(C)c(=O)c2Cl)cc1OC 1873526168 QRYBFYOSKDDGKK-BUVRLJJBSA-N 434.968 5.018 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C(C)(C)C)cc2)cc2c(NCc3cccnc3)ncnc21 1873609215 PHDXWYWVBAZQIG-UHFFFAOYSA-N 440.551 5.174 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(Cl)c2C)cc2c(N3C[C@H](C)C[C@@H](C)C3)ncnc21 1873666921 YEAQSSCROXAAAE-HZPDHXFCSA-N 437.975 5.314 30 10 IKEE C=CCOc1ccccc1OCC(=O)Nc1ccc2c(c1)nc(C)n2CCc1ccccc1 1873737175 DSVZSVACQYKLIV-UHFFFAOYSA-N 441.531 5.170 30 10 IKEE CCCCCCCCNC(=O)c1c2c(nc3ccccc13)-c1cc(OC)c(OC)cc1C2 1873891473 CXYLQYYCELXAML-UHFFFAOYSA-N 432.564 5.914 30 10 IKEE C=CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccc(CC)cc1 1874217735 ISIHRDLIBGSDEB-AFUMVMLFSA-N 441.000 5.850 30 10 IKEE CCCSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1ccc(F)cc1 1874224118 SXSJSKLZTDHZFB-KOEQRZSOSA-N 426.561 5.376 30 10 IKEE C=CCSc1nnc(COc2ccc(OC)cc2)n1/N=C/c1ccc(Cl)cc1Cl 1874293750 RYJPECLCDRCBLM-FSJBWODESA-N 449.363 5.333 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1c[nH]c2ccccc12 1874320232 HGTMHVXGZFKMFF-LGJNPRDNSA-N 431.565 5.506 30 10 IKEE CCCSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1ccc(OC)c(OC)c1 1874331482 PACVGUNPDHYKBD-PCLIKHOPSA-N 438.597 5.082 30 10 IKEE Cc1ccccc1CSc1nnc(COCc2ccccc2)n1/N=C/c1cccc(O)c1 1874352886 GYEKBDHGJPGUNQ-CVKSISIWSA-N 444.560 5.183 30 10 IKEE Cc1ccsc1/C=N/n1c(Cc2ccc(F)cc2)nnc1SCc1cccc(F)c1 1874377783 NKWNJSHKOUYRLB-DHRITJCHSA-N 440.544 5.692 30 10 IKEE COc1cccc(/C=N/n2c(COc3ccccc3)nnc2SCc2ccccc2C)c1 1874383471 BVPNYBDZZJPLFR-WGOQTCKBSA-N 444.560 5.349 30 10 IKEE Fc1cccc(CSc2nnc(Cc3cccs3)n2/N=C/c2c[nH]c3ccccc23)c1 1874411736 KCAXQQPXIBZRLA-VULFUBBASA-N 447.564 5.725 30 10 IKEE O=[N+]([O-])c1ccccc1/C=N/n1c(SCCc2ccccc2)nnc1-c1cccs1 1874423021 QLHWQNXEHCOLMH-PXLXIMEGSA-N 435.534 5.132 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3ccccc3Cl)nnc2[C@@H]2CCCO2)c1 1874445372 CQAFWYWJTIRQIR-PGLVWIQMSA-N 442.972 5.356 30 10 IKEE C=C(C)CSc1nnc(C2CCCC2)n1/N=C/c1ccc(OCCCC)c(OC)c1 1874454723 NAVQGTJKYWRJKV-BUVRLJJBSA-N 428.602 5.674 30 10 IKEE C=CCSc1nnc(C2CCCC2)n1/N=C/c1ccc(OCCCCC)c(OCC)c1 1874456661 FLFRFBFVOQMXTN-XIEYBQDHSA-N 442.629 6.064 30 10 IKEE C=CCSc1nnc(C2CCCC2)n1/N=C/c1ccc(OCc2ccccc2C)cc1 1874456842 NGCOYGVHBNNYPJ-YZSQISJMSA-N 432.593 5.983 30 10 IKEE COc1cc(/C=N/n2c(SCc3ccccc3F)nnc2C(C)(C)C)cc(Cl)c1O 1874481923 PQBUKKUNVXMLDV-BHGWPJFGSA-N 448.951 5.257 30 10 IKEE COC(=O)c1ccc(CSc2nnc(C3CCC3)n2/N=C/c2cccc3ccccc23)o1 1874495777 DWOULBNSLNLJAO-AFUMVMLFSA-N 446.532 5.253 30 10 IKEE CCCOc1ccccc1/C=N/n1c(CC)nnc1SCc1c(F)cccc1Cl 1874528925 IRJXQDVMTFCBIU-ZMOGYAJESA-N 432.952 5.596 30 10 IKEE CC(C)Cc1nnc(S)n1/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 1874559256 GSEXUSPFTHRCTL-VULFUBBASA-N 434.540 5.519 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cc(Cl)ccc1OCc1cccc(F)c1 1874590336 GFYGGKDOMQQQAD-FMIVXFBMSA-N 436.954 7.560 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OCC(=O)N[C@@H](C)c3ccccc3)c2)cc1 1874593254 ADXZTPXMSGLNPC-JHNUBAFKSA-N 441.571 6.182 30 10 IKEE COC(=O)c1ccc(COc2cc(/C=C/C(=O)c3ccccc3Cl)ccc2OC)o1 1874594920 KLEJMIVXYFQFJI-JXMROGBWSA-N 426.852 5.203 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1OCC(=O)OCC(C)C 1874600184 YKRUCNHRSMSPHJ-FMIVXFBMSA-N 438.564 5.775 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)c1OCc1ccc(C)cc1 1874617932 AJSMNHFPWBGFMK-OUKQBFOZSA-N 434.963 7.139 30 10 IKEE Cc1ccccc1COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1Br 1874624287 VFZRVFWRKZNPKE-RIYZIHGNSA-N 449.388 7.356 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc(F)c2)c(Br)c1)c1ccc(F)c(F)c1 1874626321 YMJQDOCTDXDRLJ-XBXARRHUSA-N 447.250 6.342 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCc3cc(C)ccc3C)c(Cl)c2)cc1C 1874636555 GPARDSRSWKCVQJ-CSKARUKUSA-N 434.963 7.057 30 10 IKEE Cc1cc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(Cl)cc3Cl)c2)ccc1F 1874704103 WVDIKHKFVPSELO-BJMVGYQFSA-N 429.274 6.556 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)c2)c1 1874706694 VBNLNXJNGAGWIC-CSKARUKUSA-N 428.484 5.119 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc(C)c(C)c3)ccc2OC)c1 1874713539 BQZFTQAVGYIWJJ-JLHYYAGUSA-N 430.500 5.826 30 10 IKEE COc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3cc(Cl)cc(C)c3OC)c2)cc1 1874715357 PPCUNWKQAGGANY-KPKJPENVSA-N 436.891 5.781 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3sccc3C)c([N+](=O)[O-])c2)cc1C 1875108162 AOZWENYGIDAHFF-QPJJXVBHSA-N 437.473 5.397 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1Br)c1ccccn1 1875113614 PODZHYBDPTVDMD-CSKARUKUSA-N 442.696 5.613 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3OC)cc2OCC)c1 1875119771 LXKYKRQSGMEUCV-FYWRMAATSA-N 446.499 5.608 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)CCCOc1ccccc1 1875128567 JYQIINHDGMIYOQ-BMRADRMJSA-N 430.500 5.746 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3F)c(Cl)c2)c(C)c1 1875131927 VVQWFWBHVLZZSK-RUDMXATFSA-N 426.846 6.350 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)C(c3ccccc3)c3ccccc3)cc2)cc1 1875132106 GETNBQOUZQVWLI-LTGZKZEYSA-N 432.519 6.629 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)c1ccc(C)c(C)c1 1875157512 BEKCMHCWGSPNNU-WUXMJOGZSA-N 434.463 5.575 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 1875158420 VNQDGQJFARMYLI-VZUCSPMQSA-N 425.799 5.503 30 10 IKEE CCCCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccc(F)cc2)cc1OCC 1875158770 MAGQXNADTQDSSQ-KPKJPENVSA-N 449.316 5.979 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Oc4ccccc4)cc3)cc2)cc1 1875165325 INBDURZHZQBYAT-CIAFOILYSA-N 448.518 7.157 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)c1cccs1 1875176746 NVOAWAGWXBDLGH-ZRDIBKRKSA-N 432.541 6.217 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3c(C)cc(C)cc3C)cc2[N+](=O)[O-])c1 1875182994 FNTSAKBWLVGTKR-CSKARUKUSA-N 445.471 5.644 30 10 IKEE CC1(C)OB([C@@]23C[C@@H]2CCN(Cc2cc(Cl)ccc2Br)C3)OC1(C)C 1879794455 LWXXCKBHGCILGF-IFXJQAMLSA-N 426.591 5.161 30 10 IKEE O=C(NCCOc1cccc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1C(F)(F)F 1889920446 SLTAILNPIBLNFU-UHFFFAOYSA-N 445.281 5.552 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1[C@@H]2CCCCN(C(=O)OC(C)(C)C)[C@H]21 1922105865 ZNBJQZSERUILIQ-NEWJYFPISA-N 428.617 5.163 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@@H](NC(=O)OC(C)(C)C)C1CCCC1)NCCC 1922118923 LFCRQKJQCNTHJA-DNQXCXABSA-N 430.633 5.601 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H]([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C1 1993188592 LREWQKORWQSDOK-MAUKXSAKSA-N 435.952 5.231 30 10 IKEE C=C1CCC(C[C@H](O)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)CC1 1997447458 JRUGEAQCHAPJCY-OZXSUGGESA-N 429.601 5.328 30 10 IKEE C=C([C@H](NCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)[Si](C)(C)C 1997468552 HKFUOKAZJQITIY-DHLKQENFSA-N 446.708 5.242 30 10 IKEE CC#CCCCC[C@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2019511669 XTOKIHYTKZIZNR-NHTMILBNSA-N 430.633 5.437 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@]2(C)CCCN2C(=O)OC(C)(C)C)c1 2020804802 SPLPFXCDOUTWPB-DVECYGJZSA-N 429.561 5.418 30 10 IKEE CC(C)(C)OC(=O)NCC1CCC(C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)CC1 2030040528 UWPZLMKHSHGQIL-UHFFFAOYSA-N 447.551 5.544 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@]1(C#N)C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2033845307 DQIQVWWFJDWSDL-ACWUQQCTSA-N 435.543 5.657 30 10 IKEE COc1ccc(N2C(=O)N[C@@](c3ccccc3)(C(F)(F)F)SC2=NC(C)(C)C)cc1 2040465017 SAZVCVPUFLNCES-HXUWFJFHSA-N 437.487 5.528 30 10 IKEE C=CCNC(=O)C(NC(=O)c1ccccc1)=C(Sc1ccc(Cl)cc1)c1ccccc1 2053493633 BCCVPYSEHREEFF-UHFFFAOYSA-N 448.975 5.533 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)Cc2cccc(Br)c2Cl)C1 2062969390 NQYQWOPNYKMBGG-UHFFFAOYSA-N 428.754 5.075 30 10 IKEE C=C1CC[C@H](O)CC1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@@](C)(O)C(C)(C)O 2069593928 BPEQZNMKGFTMQE-PEJJZQNXSA-N 428.657 5.871 30 10 IKEE CCCc1ncc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)s1 2114348503 UXNVEVUKNRYIRF-HNNXBMFYSA-N 436.375 5.864 30 10 IKEE CC1(C)OB(c2cnc(SCc3ccc(Cl)cc3)c(Br)c2)OC1(C)C 2116130697 MXTNVGOWRMERCO-UHFFFAOYSA-N 440.599 5.089 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Cl)c1)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 2216976675 DOZYWBGYCNUXLG-DEOSSOPVSA-N 441.015 5.887 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)CN(C(=O)OC(C)(C)C)[C@@H](C)CC 2235721131 APUAHJMNQXCKBE-HKUYNNGSSA-N 437.422 5.204 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)[C@H](CCC(C)C)NC(=O)OC(C)(C)C 2235732497 SHVXAXQWTAOELV-UXHICEINSA-N 437.422 5.108 30 10 IKEE C=C([C@@H](NCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)C(C)(C)C 2237401729 AVFLXCASHYZUAU-RBUKOAKNSA-N 439.438 5.465 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)C[C@H]2CCCC[C@@H]21 2259968125 LWNMPTVQHXAWAF-HKQJZWTQSA-N 442.644 5.601 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@H](O)C#Cc2ccc(Br)cc2)cc1Cl 2278792356 ZOLBIQOGSCKFQS-GOSISDBHSA-N 436.733 5.535 30 10 IKEE C=CCCC1([C@H](NCC)c2cc(Br)ccc2C)CN(C(=O)OC(C)(C)C)C1 2281038354 SBIGRFXIEGEGID-LJQANCHMSA-N 437.422 5.611 30 10 IKEE CCCCCCCC[C@H](N)[C@](C)(O)c1cc(Br)c(Br)s1 2281282835 YVQBQUVJFIWOME-WFASDCNBSA-N 427.246 5.559 30 10 IKEE C=CC[C@@]1(COc2cc(Br)c(F)cc2N)CCCN(C(=O)OC(C)(C)C)C1 2287760410 LEJCVUOCZKSZBY-HXUWFJFHSA-N 443.357 5.143 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)CC[C@H](CC)NC(=O)OC(C)(C)C 2296217198 RQZKVYCLPLNIPX-PMACEKPBSA-N 437.422 5.252 30 10 IKEE O=C1C(=Cc2ccc(Br)cc2)SC(=Nc2ccccc2)N1Cc1ccccc1 2296373975 NFCGDKANQDHJRW-UHFFFAOYSA-N 449.373 6.253 30 10 IKEE C=CCN1C(=O)C(=Cc2cccc(OCCCOc3c(C)cccc3C)c2)SC1=S 2297624695 DCELAXMYPYGBPS-UHFFFAOYSA-N 439.602 5.539 30 10 IKEE O=[N+]([O-])c1cccc(C=CC=Nc2ccc3oc(-c4ccc(Br)cc4)nc3c2)c1 2297708237 PNQQPEFGMNQVAF-UHFFFAOYSA-N 448.276 6.581 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC(=O)C=Cc3ccccc3)cc2)cc(OC)c1OC 2314429878 QVFQEHJWYKTJTD-UHFFFAOYSA-N 444.483 5.227 30 10 IKEE COc1ccc(C=C2SC(=Nc3nccs3)N(C3CCCCC3)C2=O)cc1OC 2314541936 FJRGROSOQGYTTG-UHFFFAOYSA-N 429.567 5.097 30 10 IKEE CSC1(C#C[C@@H](N)c2ccc(Br)cc2NC(=O)OC(C)(C)C)CCC1 2314670230 WURTZXJOURSYBD-OAHLLOKOSA-N 425.392 5.085 30 10 IKEE CCOc1cc(C=Nn2cnnc2SCc2ccccc2Cl)ccc1OC(C)C 2318571565 NNEJALQWQOIQAV-UHFFFAOYSA-N 430.961 5.292 30 10 IKEE N#Cc1nc(-c2ccccc2)oc1NN=Cc1c(O)ccc2cc(Br)ccc12 2320833988 RWRGKXITOZXKTD-UHFFFAOYSA-N 433.265 5.281 30 10 IKEE CSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1N=Cc1sccc1C 2321355504 DUVZDKYTVKXVIA-UHFFFAOYSA-N 441.409 5.571 30 10 IKEE CC(C)OCCCN1COc2ccc3c(c2C1)OC(=Cc1ccc(C(C)(C)C)cc1)C3=O 2322019758 IZHXESXRUPAWPL-UHFFFAOYSA-N 435.564 5.567 30 10 IKEE CCOc1ccc(C=Nn2c(S)nnc2CCc2cccc3ccccc23)cc1OCC 2322206932 YOLAVWGDDOOIGB-UHFFFAOYSA-N 446.576 5.185 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccc(F)cc2)cc1 2322391407 MZQKDRNLBREXKP-UHFFFAOYSA-N 431.507 6.082 30 10 IKEE COc1cccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)c1OCc1cccc2ccccc12 2322474911 FNGMGJJGMGZRDQ-UHFFFAOYSA-N 439.467 6.232 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OC(=O)c4ccccc4C)c3C)C2=O)c1OC 2322681274 OBBKNVQGAZDINL-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(F)c(F)c2)c1OCc1ccc(Cl)cc1 2322781434 GPXGZPZDMKYCSM-UHFFFAOYSA-N 449.280 6.755 30 10 IKEE Cc1c(OC(=O)c2cc3ccccc3o2)ccc2c1OC(=Cc1ccccc1Cl)C2=O 2322842800 XSHLOVGBCGLCIM-UHFFFAOYSA-N 430.843 6.230 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2ccccc2OCc2cc(C)ccc2C)cc1Cl 2322969252 FUPAAQPBVYBPLL-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE COc1ccccc1C=C1Oc2cc(OC(=O)C=Cc3ccc(C)cc3)cc(C)c2C1=O 2323060678 GFZADFKODWEBFF-UHFFFAOYSA-N 426.468 5.547 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OC(=O)COc4ccc(C)cc4)c3C)C2=O)cc1 2323201662 XOXPDETWNGLZPY-UHFFFAOYSA-N 428.484 5.466 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2cccc(OCC(=O)Nc3ccccc3F)c2)c1C 2323259650 MEWZYNOCUNENAK-UHFFFAOYSA-N 431.507 5.973 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)c3cccc(Oc4ccccc4)c3)ccc2C1=O 2323559699 GKWPQLLEUZFNOA-UHFFFAOYSA-N 448.474 6.623 30 10 IKEE O=C(C=Cc1ccc(OCc2c(F)cccc2Cl)c(Br)c1)c1ccccc1 2323809164 FPZLXMWDCNNYPX-UHFFFAOYSA-N 445.715 6.717 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)c(OCc3ccccc3C)c(OC)c2)cc1 2323827239 LFRSYGNAFDEUPP-UHFFFAOYSA-N 436.935 6.531 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(OC)c(OCc3ccc(F)cc3)c(OC)c2)cc1 2323831280 ORNJPZJAFFPBML-UHFFFAOYSA-N 436.479 5.717 30 10 IKEE Cc1cccc(COc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2Br)c1 2323857950 GNPACOHWGNOZAJ-UHFFFAOYSA-N 435.361 6.849 30 10 IKEE CCOC(=O)c1sc(NN=Cc2ccc(OCc3ccccc3)c(Cl)c2)nc1C 2323865523 NOSACHHIORVYKS-UHFFFAOYSA-N 429.929 5.307 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)c1 2323895680 MQPHTBLZINLPME-UHFFFAOYSA-N 446.430 5.285 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(O)c3CN(Cc3ccccc3)C(C)C)C2=O)cc1 2324011923 AMAXXHGAGVRJFV-UHFFFAOYSA-N 443.543 5.818 30 10 IKEE Cc1c(OCCOc2ccccc2)ccc2c1OC(=Cc1c(Cl)cccc1Cl)C2=O 2324220739 GNNUZFIBRJIMHG-UHFFFAOYSA-N 441.310 6.376 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(O[C@H](C)C(=O)OC(C)C)cc(C)c3C2=O)cc1 2324305683 FZEPIZSJLYZYPZ-GOSISDBHSA-N 437.536 5.176 30 10 IKEE CCOc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC 2324339259 OIRDBOFNPXZQBY-SFHVURJKSA-N 449.488 5.015 30 10 IKEE CCCOc1c(Br)cc(C=CC(=O)c2ccc(OC)cc2OC)cc1OCC 2324475071 MTUVOQWHHMKJRE-UHFFFAOYSA-N 449.341 5.550 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(Cl)c2)ccc1OCCc1ccccc1 2324623204 IBMXQJFFLCRXPV-UHFFFAOYSA-N 436.935 6.265 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2OC)ccc1OCc1cc(C)ccc1C 2324708422 PSQCJYGHRLEMQL-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE COc1cccc(C=C2Oc3cc(OCc4ccccc4C#N)cc(C)c3C2=O)c1OC 2325352700 CLWORCFKKNKCRK-UHFFFAOYSA-N 427.456 5.079 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OCC(=O)Nc3c(F)cccc3F)cc(C)c2C1=O 2325512681 AXATYWFYEUKBPD-UHFFFAOYSA-N 441.455 5.277 30 10 IKEE COc1cccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(Cl)cc3Cl)c2)c1 2325707733 CHUNVYGABWUNFC-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3cccc(C)c3C)c2)cc1 2325734623 HBFGHDYLAMSMGW-UHFFFAOYSA-N 430.500 5.583 30 10 IKEE COc1ccccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccccc1Cl)C2=O 2325736245 BDLFJVXTDDARGD-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC(=O)c2cccc(F)c2)c1 2325752703 NCFBKNBVQXKHNZ-UHFFFAOYSA-N 432.491 6.247 30 10 IKEE CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1ccc(F)cc1 2325905727 TZQUQENXJREPAO-UHFFFAOYSA-N 426.561 5.596 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2N=Cc2sccc2C)c(C)c1 2326460582 YTZHNPQAKPOSGK-UHFFFAOYSA-N 446.645 6.225 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccc(F)cc2)c(C)c1 2326460788 VYSQSMHZOXQLCW-UHFFFAOYSA-N 444.579 5.994 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccccc1C 2326590573 BGPQBQLLGSEQCL-UHFFFAOYSA-N 426.589 6.075 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1ccc(OC)cc1OC 2328179427 GCKGTLKTESZRSR-UHFFFAOYSA-N 442.629 5.920 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2cccc(O)c2)cc1 2328567870 JJBNOKOLYKBDIQ-UHFFFAOYSA-N 444.560 5.148 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccc(C)cc3)n2N=Cc2sccc2C)cc1 2329242377 GCBLGBHPCQBETN-UHFFFAOYSA-N 448.617 5.730 30 10 IKEE C=C(C)CSc1nnc(COCc2ccccc2)n1N=Cc1cccc2ccccc12 2329341359 SNEFAWDBNUSGLH-UHFFFAOYSA-N 428.561 5.699 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2N=Cc2ccccc2O)c1 2329400865 RNCMULIKJKJDOT-UHFFFAOYSA-N 442.588 5.674 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(F)c3)n2N=Cc2ccccc2O)cc1C 2329405488 HMMFSPYHFUTEKX-UHFFFAOYSA-N 446.551 5.505 30 10 IKEE COc1cccc(C=Nn2c(SCCc3ccccc3)nnc2-c2ccccc2Cl)c1 2329587762 ZEAFRGONRZTDKA-UHFFFAOYSA-N 448.979 5.824 30 10 IKEE Cc1ccc(C=Nn2c(Cc3ccc(C)cc3)nnc2SCc2ccc(Cl)cc2)cc1 2330023007 BTOLIOSCADQGBX-UHFFFAOYSA-N 447.007 6.314 30 10 IKEE Cn1cccc1C=Nn1c(Cc2cccs2)nnc1SCc1c(F)cccc1Cl 2330449426 BLWACDJKOMBYTE-UHFFFAOYSA-N 445.976 5.236 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC(=O)c1ccccc1 2330645335 HKXIOQBMFBSTJB-UHFFFAOYSA-N 443.455 5.447 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2F)c(Cl)c1)c1ccc2ccccc2c1 2330662020 FBMPMZRIWYEAPR-UHFFFAOYSA-N 430.862 6.748 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3ccccc3C)c(OC)c2)cc1 2330951489 WXFOTHYVFVRWDP-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(SCc3ccccc3F)nnc2[C@@H]2CCCO2)cc1 2330961187 AWRUWWIWGGRDLH-NRFANRHFSA-N 438.572 5.741 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1 2331116032 AGRZHEUYYVUSEY-UHFFFAOYSA-N 436.891 5.619 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccccc3C)nnc2-c2ccco2)cc1OC 2331174383 CUVJHUGVDKTUEF-UHFFFAOYSA-N 448.548 5.428 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)c1ccccc1Cl 2331183104 MPUQOGIOAOCGRX-UHFFFAOYSA-N 432.903 6.192 30 10 IKEE C=CCSc1nnc(-c2ccco2)n1N=Cc1ccc(OCCCCCC)c(OC)c1 2331214767 CWDJCFGMFBQWCP-UHFFFAOYSA-N 440.569 5.666 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)c1c(OC)cccc1OC 2331232890 WAEXQYCUTINSPA-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)CSc3ccccc3)c([N+](=O)[O-])c2)c1 2331322966 OJQKCDOOYIGMAS-UHFFFAOYSA-N 447.512 5.805 30 10 IKEE CCCCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccc(F)c(C)c2)cc1OC 2331344227 ZEPKFXZIEMTKEM-UHFFFAOYSA-N 449.316 5.897 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(OC)ccc2OC)ccc1OC(=O)CC(C)(C)C 2331392192 AHSYCOJQYYJRLR-UHFFFAOYSA-N 426.509 5.340 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc3ccccc23)n1N=Cc1c[nH]c2ccccc12 2331402297 MBZBGMPYBTZMTN-UHFFFAOYSA-N 439.588 6.385 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2331541469 PDEIKLSPRIMFNL-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE COc1cccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CCC2)c1OC 2331541760 OMRBUVAGBKFALG-UHFFFAOYSA-N 442.972 5.391 30 10 IKEE CCCc1nnc(SCc2ccccc2C)n1N=Cc1cc(Cl)c(O)c(OC)c1 2331632378 IZILULXRUFJHFT-UHFFFAOYSA-N 430.961 5.081 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1cccnc1 2331653545 YVLZBXQKESTXMY-UHFFFAOYSA-N 429.516 5.829 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)C=Cc2ccc(C(C)C)cc2)n(-c2ccccc2)n1 2331665419 XPXFUEWGQBCJEU-UHFFFAOYSA-N 427.552 5.221 30 10 IKEE CCCSc1nnc(C(C)C)n1N=Cc1ccccc1OCc1ccccc1Cl 2331705579 IFZYAHKMGGGDIE-UHFFFAOYSA-N 428.989 6.018 30 10 IKEE CCCN[C@H](CC#C[Si](C)(C)C)c1sc(Cl)cc1I 2340972007 TWUBHSPDADSGSU-GFCCVEGCSA-N 425.839 5.318 30 10 IKEE CC1(C)OB(c2ccc(CSCCCCC3CC3)cc2Br)OC1(C)C 2349807926 KLUMOYYNZDUHMV-UHFFFAOYSA-N 425.241 5.562 30 10 IKEE NC(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)=N\OC(=O)c1ccc(Cl)cc1 12339838 FYKFTSNWPPBNNT-BHQIHCQQSA-N 436.739 5.520 30 10 IKEE C=CCN(CC=C)C(=O)c1ccc(-n2nc(C(=O)OCC)cc2-c2ccc(Cl)cc2)cc1 23438077 MSXLRPOXFSCDNN-UHFFFAOYSA-N 449.938 5.184 30 10 IKEE C=CCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2[C@@H]1c1cccc(Oc2ccccc2)c1 36293552 YHHILYOJMZFESY-VWLOTQADSA-N 437.495 5.933 30 10 IKEE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\Oc3ccc(C)cc3C2=O)c(C)c1 39842430 VTQHRSKDYIFSDM-QQXSKIMKSA-N 436.511 6.171 30 10 IKEE CCOc1ccc(/C=C2\S/C(=N/c3nccs3)N(c3ccccc3)C2=O)cc1OC 39864957 GRNUYNXCWKKRAW-TWBIDLLHSA-N 437.546 5.359 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1cccc(OCC)c1 40078271 RTOZYQQHKRZDQJ-QHCPKHFHSA-N 437.536 5.253 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)c4cc5cccc(OC)c5o4)ccc3C2=O)cc1 41354177 YBMMSNCHJCPICU-QRVIBDJDSA-N 440.451 5.839 30 10 IKEE CCCCCCCCCCCCCCCCNC(=S)NC(=O)CCc1ccccc1 100068286 WJGRLDGWQRIFID-UHFFFAOYSA-N 432.718 7.091 30 10 IKEE CCCCCCCCCCCn1c([C@H](C)NC(=O)c2cccs2)nc2ccccc21 102134665 MZNZDDXKZDLLEW-FQEVSTJZSA-N 425.642 7.120 30 10 IKEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccc(F)cc2)cc1 103089951 CGUGPNGMUCWTCC-AGGMBTAESA-N 444.487 5.370 30 10 IKEE CCCCCCCCCCCCCCCC(=O)O[C@H](CC(=O)OC(C)C)C[N+](C)(C)C 137796047 KEGFTSGFVQNRIB-XMMPIXPASA-N 442.705 6.427 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@@H](c2cc(Cl)c(OCC(C)C)c(Cl)c2)NC(=S)N1 169938482 IUDVOGLMEPBFRI-LJQANCHMSA-N 449.403 5.704 30 10 IKEE COc1cc(/C=N\Nc2nc(-c3ccc(C)c(C)c3)cs2)cc(Br)c1OC 169940416 HAWUAGJWCUFINU-YVNNLAQVSA-N 446.370 5.653 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccc(N(C)C)cc2)ccc1F 169954166 WQXAGDNMPDABCA-DEOSSOPVSA-N 444.506 5.291 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2cccc3ccccc23)ccc1F 170044776 CGZLMDHFGDGYRB-CYFREDJKSA-N 445.490 5.045 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(C)o2)cc1 170101529 CPTQIDVXSCHAPK-QHCPKHFHSA-N 447.487 5.087 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C(C)C)c3)=C(O)C(=O)N2C2CCCC2)cc1 170116999 QMEIDZPTXAOLOC-XMMPIXPASA-N 449.547 5.348 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(O)cc1)c1cc2cc(Cl)ccc2o1 170134476 IZLNSHGQDMXKDT-OAQYLSRUSA-N 449.846 5.163 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccc(C)c2)cc1 170142120 BOKDHYRYMQGIBP-VWLOTQADSA-N 441.527 5.875 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccc(C)c2)cc1OC 170142767 YEJXXZMSVFFYNY-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1cccs1 170163588 ZJBHVERVYAXBMK-QFIPXVFZSA-N 446.572 5.528 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cccc(OCC(C)C)c1 170219128 SVSWDWAEKPNOKA-OSPHWJPCSA-N 449.547 5.033 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1F)c1ccc2c(c1)CCCC2 170248158 MLGPGGYHHCWQIU-DEOSSOPVSA-N 445.465 5.627 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1ccccc1F)c1cc2ccccc2o1 170248823 AFBBIMFXMZELKL-QFIPXVFZSA-N 429.403 5.060 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2C)cc1Cl 170275391 FEHXVOIZHNFMBB-QFIPXVFZSA-N 439.939 5.568 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)[C@H]1c1ccccc1F)c1ccccc1 170382340 QVJXNEMLFBBCDX-FQEVSTJZSA-N 441.380 5.627 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccco2)=C(O)C(=O)N1CCc1ccc(Cl)cc1 170425316 QEWUXYFCWJGVNK-SFHVURJKSA-N 427.909 5.124 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)Cc2cccc3ccccc23)nc2c(C)cccc12 170509463 VLRCCGPSYYZAAP-UHFFFAOYSA-N 431.499 5.243 30 10 IKEE O=[N+]([O-])c1ccc(-c2ccc(C=NNc3ncnc4scc(-c5ccccc5)c34)o2)cc1 254316392 HGUWJLILPSRAQU-UHFFFAOYSA-N 441.472 5.973 30 10 IKEE Cc1ccc(N=C(c2ccccc2)[C@@H]2SC(=N)N(c3ccccc3)[C@H]2c2ccccc2)cc1 254391867 BJWFNANIWVLDLW-NSOVKSMOSA-N 447.607 7.414 30 10 IKEE Oc1ccc(Br)cc1C=Nc1ccc2c(ccc3c4ccccc4ccc23)c1 254479809 TUZLLMWGZZMJEX-UHFFFAOYSA-N 426.313 7.365 30 10 IKEE O=C(CSc1nc2ccc(N=Cc3ccc(F)cc3)cc2s1)NCCc1ccccc1 254853259 GORLEAICECERQT-UHFFFAOYSA-N 449.576 5.637 30 10 IKEE CCCCCN(CCCCC)c1ccc(C=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 254872218 LSIDPRICDYDZJC-UHFFFAOYSA-N 441.532 6.136 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 526488268 GPITVYBMAFVDEI-NRFANRHFSA-N 439.273 6.061 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccco2)cc1OC 526604328 HUIHWFIOSCBFOO-QHCPKHFHSA-N 430.460 5.006 30 10 IKEE COc1ccc(/C=N\n2cnnc2SCc2ccc(C(C)(C)C)cc2)c(Cl)c1O 526805753 PJEYZOMPDABZRX-MYKKPKGFSA-N 430.961 5.118 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccc(C(=O)O)cc2)c1 526809277 YZFIWAPZLBZMLH-QQXSKIMKSA-N 442.544 5.050 30 10 IKEE CCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1ccccc1C(F)(F)F 526829211 WUYMKPXPKKFMQV-MSXFZWOLSA-N 449.458 5.332 30 10 IKEE N#CCCCN(c1cccc(Br)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586240420 ATCHVHPRKLMYGH-UHFFFAOYSA-N 448.169 5.255 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCN(C(=O)OC(C)(C)C)[C@@H]1C 698484407 OBBCGHIXIUYDLG-KOSHJBKYSA-N 429.561 5.418 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCN(C(=O)OC(C)(C)C)CC1 704042119 JHNIIDKLQDJMEQ-XMMPIXPASA-N 445.560 5.120 30 10 IKEE Cc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)c(C)c1Br 719633514 OHLRRSBJYVDHFR-GOSISDBHSA-N 433.321 6.211 30 10 IKEE C=C1CCC(C[C@@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)CC1 724569998 NIRAQBFHXZULLL-FTBPSBKWSA-N 444.660 5.990 30 10 IKEE C=CCSc1nc2ccc(N=Cc3ccc(I)cc3)cc2s1 1084346855 IYAPQQYRZBAOHS-UHFFFAOYSA-N 436.343 5.930 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2)SC(=NN=Cc2ccccc2)N1N=Cc1ccccc1 1084402125 NROCBNXIRZZCDF-PNHSIORTSA-N 444.947 5.681 30 10 IKEE Oc1ccc(N/C(=N/Cc2cc(Br)ccc2F)NCc2cccs2)cc1 1088684475 YNXRINVWEYBORV-UHFFFAOYSA-N 434.334 5.113 30 10 IKEE CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C[C@H]([C@H](C)[N+](=O)[O-])[C@@H](C(C)=NO)[C@@]4(C)CC[C@H]32)C1 1565517363 VOETZVYTDQTIBX-PYPVYBQXSA-N 446.588 5.239 30 10 IKEE C=CCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)[C@H]1CCN(Cc2ccccc2)C1 1860029974 BCAMPGWHBDELRZ-PXNSSMCTSA-N 433.379 5.050 30 10 IKEE CCCCCCCCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1860153112 JSUGHRPMHDOYCJ-UHFFFAOYSA-N 429.473 5.885 30 10 IKEE O=C(/C=C/c1ccccc1C(F)(F)F)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 1860724756 QWNOBKZEHKVNMG-ZRDIBKRKSA-N 445.824 6.372 30 10 IKEE Cc1ccc(C)c(-c2csc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n2)c1 1860817135 YCCFJFOXOMAKGJ-UHFFFAOYSA-N 439.631 5.970 30 10 IKEE O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CCCN(Cc2cccc(F)c2)C1 1861858592 ZWFQBAJHOQWCOR-AWEZNQCLSA-N 448.382 5.714 30 10 IKEE CCCCCCCCCCNC(=O)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O 1861871510 CKJXHQBMVYYBBE-UHFFFAOYSA-N 437.411 6.074 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(CC)cc2)cc1 1862390718 KRFKSILNBOHCLT-AREMUKBSSA-N 445.603 6.503 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccccc2F)cc1 1862391118 SPCOEVNZHYRDDP-DVKBMCPXSA-N 449.566 6.325 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2c(F)cccc2Cl)cc1 1862398061 UNNOVUNHLDBADL-NRFANRHFSA-N 445.918 5.046 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2cccc(C)c2)cc1C 1862401280 XSANPGUTRSETFX-HSZRJFAPSA-N 447.556 5.195 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2Cc2cccs2)cc1 1862401519 CQWXWIRPVZOTJV-QHCPKHFHSA-N 447.556 5.406 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccc(F)cc1)c1ccccc1Cl 1862430383 JFLUDDOJQKOCGR-OAQYLSRUSA-N 427.903 5.780 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1 1862441664 BNTZQXKTTCKZPX-IVZQSRNASA-N 435.882 5.819 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@H]1c1ccc(F)cc1)c1cccc(Cl)c1 1862443086 MZQCFYPXXRGINN-NRFANRHFSA-N 439.845 5.397 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1cc(Cl)cc(Cl)c1 1862467136 JNJUJPXEXOPSJX-KRWDZBQOSA-N 444.236 5.397 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc(C)c2)cc1 1862475610 QKGZNUDOCUWASV-FNZWTVRRSA-N 439.555 6.205 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2cccc(Cl)c2)c1 1862490756 DANDBTAZWUOTBN-HSZRJFAPSA-N 449.909 5.874 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cccc(C)c1 1862508010 XBESXHQCJXEFFN-DEOSSOPVSA-N 437.555 6.381 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1F 1862581369 GNORGEZSZQMFKL-LJQANCHMSA-N 436.310 5.757 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C[C@H](C)O)cc1 1862584136 QLYZDAZASPXSNX-RBZFPXEDSA-N 448.346 5.076 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 1862616534 UDQBLKIRJPNESQ-HSZRJFAPSA-N 429.516 5.664 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCC2=CCCCC2)c1 1862660083 HKIMJDPXPMICKR-SANMLTNESA-N 443.587 6.587 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862660572 KAWYCRRFDPXOKG-XUZZJYLKSA-N 444.531 5.049 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(Br)cc1 1862719157 KIFMTURELZCUIR-OAQYLSRUSA-N 448.316 5.367 30 10 IKEE N#Cc1ccccc1NC1=C(c2ccccc2Cl)C(=O)N(c2ccc3ccccc3c2)C1=O 1863071878 LXPWUMGPJCAZHZ-UHFFFAOYSA-N 449.897 5.761 30 10 IKEE N#Cc1cccc(NC2=C(c3ccccc3Cl)C(=O)N(Cc3cccc(Cl)c3)C2=O)c1 1863446500 AKCXBIABCCYMRF-UHFFFAOYSA-N 448.309 5.257 30 10 IKEE CCCCCCCCNC1=C(c2ccc(OCC)cc2)C(=O)N(Cc2cccc(C)c2)C1=O 1863572726 KBWZAGKQMYCYEW-UHFFFAOYSA-N 448.607 5.624 30 10 IKEE CC(C)c1nc(Nc2ccc(C#N)cc2)cc(N2CCC[C@H]2c2nc3ccccc3s2)n1 1868243185 WRJRLZZIDRJCCF-FQEVSTJZSA-N 440.576 6.166 30 10 IKEE CCCc1nc(Nc2ccc(C#N)cc2)cc(N2[C@@H](Cc3ccccc3)COCC2(C)C)n1 1868400709 ATPSTWOPQRMYCY-QHCPKHFHSA-N 441.579 5.271 30 10 IKEE C=CCN(CC=C)c1cc(N2Cc3cc(OC)c(OC)cc3C3(CCCCC3)C2)nc(C)n1 1869304266 QUXCAPZUCCSBPG-UHFFFAOYSA-N 448.611 5.203 30 10 IKEE N#Cc1nnn(-c2ccc(Cc3ccccc3)cc2)c1NC(=O)c1ccccc1C(F)(F)F 1870159746 RFAFJPLPICCAOE-UHFFFAOYSA-N 447.420 5.001 30 10 IKEE CC(C)(C)SCc1cc(=O)c(OCc2ccc(C#N)cc2)cn1Cc1ccccc1F 1870232890 NPZHNWCGSUWZLI-UHFFFAOYSA-N 436.552 5.518 30 10 IKEE CCCCCCCOc1cn(CCCOCC)c(CN(CCCC)CCCC)cc1=O 1870409451 SSNNSLCDNSVCGG-UHFFFAOYSA-N 436.681 6.026 30 10 IKEE CCCCCCCOc1cn(CCN(CC)CC)c(CNc2cccc(C)c2C)cc1=O 1870837367 CAAICYASUWZBMQ-UHFFFAOYSA-N 441.660 5.768 30 10 IKEE C#CCOc1cn(Cc2ccccc2)c(CNc2ccc(-c3ccccc3C)cc2)cc1=O 1871006471 IBMAQPBSXDTYCP-UHFFFAOYSA-N 434.539 5.496 30 10 IKEE Cc1ccc(C)c(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCC(C)C)c1 1871255316 VKYWYXUWQBKUJC-UHFFFAOYSA-N 429.564 5.574 30 10 IKEE CCCCCCCCCCN=c1nc2c(cnn2C)c(Nc2cccc(C(F)(F)F)c2)[nH]1 1871299106 SGBGXQBGPGAGSJ-UHFFFAOYSA-N 448.537 6.100 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OC(=O)c3cc(Cl)ccc3Cl)cc(C)c2C1=O 1871380764 AIEGBKHIBUIGEF-ZDLGFXPLSA-N 445.323 6.507 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCCCOc4ccccc4)cc(C)c3C2=O)cc1OC 1871397352 OVRMZOIYTZZCMP-XYGWBWBKSA-N 446.499 5.476 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OCCCOc4ccccc4)c3C)C2=O)c1OC 1871398013 DSHXYMYKWXAIIY-ULJHMMPZSA-N 446.499 5.476 30 10 IKEE CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccco1)C2=O 1871402702 MSYVRRYHXZLKMH-VOMLJKFNSA-N 433.460 5.009 30 10 IKEE CC(=O)c1cccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)c1 1871438583 GLRGRRZSZLOHAB-KSEXSDGBSA-N 447.874 5.176 30 10 IKEE COc1ccc(CCOc2ccc3c(c2C)O/C(=C\c2c(F)cccc2Cl)C3=O)cc1 1871448734 YAIIDAFYUWOVBD-UCQKPKSFSA-N 438.882 6.034 30 10 IKEE CCCCCCCCN=c1nc(N2CCCCC2)[nH]c(=Nc2cccc3ccccc23)[nH]1 1871729775 QYMAIXJAJDNDQG-UHFFFAOYSA-N 432.616 5.375 30 10 IKEE COc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872759381 MRNJGINUMHORIN-OAQYLSRUSA-N 440.524 5.741 30 10 IKEE N#C[C@H](C(=O)c1cc2ccccc2oc1=O)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872760256 KTLCJNZTLIWLMH-HXUWFJFHSA-N 426.497 5.285 30 10 IKEE N#C[C@H](C(=O)/C=C/c1cccc(Cl)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872762232 GTICFWJADVRLLM-IEXSPKMKSA-N 433.747 6.660 30 10 IKEE COc1cccc(-c2csc([C@H](C#N)C(=O)COc3cc(Cl)ccc3Cl)n2)c1 1872762753 VZAHYAGPBPHUJO-OAHLLOKOSA-N 433.316 5.381 30 10 IKEE Cc1cccc(C)c1OCCCC(=O)[C@@H](C#N)c1nc(-c2ccc(C(C)C)cc2)cs1 1872776361 OCDCUMQKPNYZIZ-JOCHJYFZSA-N 432.589 6.586 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4ccccc4oc3=O)n2)c(C)c1C 1872778541 NLKRSHYQNWKXLS-GOSISDBHSA-N 430.485 5.032 30 10 IKEE CC[C@H](C)c1ccccc1NC(=O)c1ccc(CSc2nc(C)c(C)c(C)c2C#N)cc1 1872895105 CGFNMPWIAZUYGN-KRWDZBQOSA-N 443.616 6.937 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2C(F)(F)F)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873276997 ZBESZEJOOIMZCI-UHFFFAOYSA-N 448.444 5.750 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1sccc1C 1874224261 BCCXFTBKLPPEMK-BUVRLJJBSA-N 440.638 5.772 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccccc1OC 1874230660 VOFYBOHQLNELTA-WYMPLXKRSA-N 442.972 5.378 30 10 IKEE CCCSc1nnc(COc2ccc(OCC)cc2)n1/N=C/c1cccc(Cl)c1 1874236526 NHJJNEGOZRLSAU-OEAKJJBVSA-N 430.961 5.294 30 10 IKEE Cc1ccc(CSc2nnc(CCCOc3ccc(C)cc3)n2/N=C/c2ccc[nH]2)cc1 1874250706 RDLURIRCAQETHF-WPWMEQJKSA-N 445.592 5.409 30 10 IKEE Cc1ccc(CSc2nnc(Cc3cccc4ccccc34)n2/N=C/c2cccnc2)cc1 1874268389 UYVXQWZMSPQJIX-RDRPBHBLSA-N 449.583 5.900 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccncc1 1874275394 YSPYMTXDSZCLHI-JVWAILMASA-N 447.995 5.595 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc[nH]1 1874299062 GXACVTZAJXRHEZ-LGJNPRDNSA-N 435.528 5.116 30 10 IKEE CCOc1ccc(Cc2nnc(SCC)n2/N=C/c2ccc(Br)cc2)cc1 1874303014 CLPDMCWYBCMIFV-HYARGMPZSA-N 445.386 5.024 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccccc3)n2/N=C/c2ccc(O)cc2)cc1 1874382808 JUCRKPSLBOJDBQ-MFKUBSTISA-N 430.533 5.046 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccccc3)n2/N=C/c2ccc(Cl)cc2)c1 1874383617 UNNSUGSEUPNHHP-CVKSISIWSA-N 448.979 5.993 30 10 IKEE Cc1ccc(/C=N/n2c(COc3ccccc3)nnc2SCCc2ccccc2)cc1 1874385746 GEIHNCQYQPVTPX-NLRVBDNBSA-N 428.561 5.383 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1c(OC)ccc2ccccc12 1874388901 AFJRZHOIFDECKQ-JVWAILMASA-N 442.588 5.890 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2ccc(N(C)C)cc2)cc1 1874388907 ALLGWEKVHOREDC-OVVQPSECSA-N 441.604 5.418 30 10 IKEE Cc1cccc(CSc2nnc([C@@H](C)c3ccccc3)n2/N=C/c2ccccc2O)c1 1874394787 VTJLUCKUQRQAMB-JHKMYFMNSA-N 428.561 5.618 30 10 IKEE C(=N/n1c(CC2CCCCC2)nnc1SCc1ccccc1)\c1ccc2c(c1)OCCO2 1874407892 UXYDMZPPBKQYNA-YZSQISJMSA-N 448.592 5.347 30 10 IKEE Oc1ccc(Cl)cc1/C=N/n1c(SCc2ccc(F)cc2)nnc1-c1ccccc1 1874426360 DVYQVXUYEJCMBD-DHRITJCHSA-N 438.915 5.618 30 10 IKEE Clc1cccc(CSc2nnc([C@H]3CCCO3)n2/N=C/c2cccc3ccccc23)c1 1874451459 ZYMKNMMNVZTAHB-QVGKIPNLSA-N 448.979 6.111 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874479483 CDPDRUFJYIFLKL-LPYMAVHISA-N 429.933 5.357 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2)nnc1C(C)(C)C 1874485351 PWYKIGXSYFIKOA-MFKUBSTISA-N 443.016 6.192 30 10 IKEE CCCSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1/N=C/c1ccccc1 1874541615 JORHVMMKBPDZLO-BUVRLJJBSA-N 449.407 5.981 30 10 IKEE Fc1cccc(Cl)c1COc1ccc(/C=N/n2c(S)nnc2-c2ccccc2)cc1 1874559008 OPUXXCXWDRJXDR-DHRITJCHSA-N 438.915 5.488 30 10 IKEE COc1cccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2cccc(C)c2C)c1 1874573537 SSIGYHWZXMQSPB-CCEZHUSRSA-N 445.515 5.234 30 10 IKEE Cc1ccc(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1 1874573547 UAAQYKOLBRWMLK-MDWZMJQESA-N 440.326 6.215 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2c(OCC(N)=O)ccc3ccccc23)cc1OCCC 1874576176 AIIYZZXIBLCLSB-VAWYXSNFSA-N 447.531 5.178 30 10 IKEE CCc1ccccc1NC(=O)COc1cccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c1 1874594131 UPOAOSQCHIHUIV-SAPNQHFASA-N 439.555 6.041 30 10 IKEE CCOc1c(OC)ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1Br 1874601187 YDXIUAOWWPHRMW-XBXARRHUSA-N 430.125 6.059 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(OC)c1OCc1ccc(F)cc1 1874602301 FHLXKBKFIBMPOY-NTEUORMPSA-N 442.486 6.471 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 1874635540 RGJUEYSWDKGQIA-YRNVUSSQSA-N 431.488 6.004 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(C)c(C)c3)c2)cc1 1874701122 CDMHULNNLUAPGO-VGOFMYFVSA-N 430.500 5.826 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2cc(C)ccc2C)cc1OC(=O)CC(C)C 1874703568 WAXOZZXGXHJUBM-CMDGGOBGSA-N 445.353 5.922 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(F)c(F)c3)c2)cc1 1874711058 QZRFXHCQWHTTFQ-NTEUORMPSA-N 436.454 5.934 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC(=O)COc2ccccc2)c1 1874715795 MDPMDLWITZKYQX-JQIJEIRASA-N 428.528 6.173 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1 1875085001 KQENTBAMUGMSKG-YRNVUSSQSA-N 437.835 5.372 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 1875101821 ZQNVEXSOSWTUFR-NTUHNPAUSA-N 447.443 5.117 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)c(C)c3)c([N+](=O)[O-])c2)cc1 1875114340 PSHYAJVMYJWFAH-WUXMJOGZSA-N 445.471 5.264 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Br)c2)ccc1OC(=O)CC(C)(C)C 1875117350 OVYJXJFFFXTWMB-CSKARUKUSA-N 431.326 5.695 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc(Cl)c3)cc2Cl)c1 1875121440 PNVABXGIZFKWHO-PKNBQFBNSA-N 441.310 6.507 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)c(F)c3)c([N+](=O)[O-])c2)c(C)c1 1875134704 GVCLCQOMRMOBKW-RUDMXATFSA-N 437.398 5.605 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1ccccc1Cl 1875142259 RWVREYMQYKGQOB-XYOKQWHBSA-N 438.882 6.302 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2Br)cc1 1875158165 IVUOSCAAQFYAFH-UUILKARUSA-N 439.280 6.012 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)C(F)(F)F)c(Cl)c1 1875160929 QCVPNVVUKWBOHB-VMPITWQZSA-N 440.845 6.010 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3F)c(OC)c2)cc1Cl 1875186075 CLMCRJBBWAEPBH-JXMROGBWSA-N 440.854 5.612 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)ccc1OC(=O)CC(C)(C)C 1875193751 YFEYLNBBBQCAJS-JXMROGBWSA-N 430.928 5.985 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@@]1(C#N)Nc1ccccc1Br 1924920149 JPNRTPDNYWEKRG-BTYIYWSLSA-N 434.378 5.228 30 10 IKEE CN(CCC[C@](C)(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1980066253 VJKGLRHPOAFUFO-JOCHJYFZSA-N 437.606 5.415 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@](C)(CC(F)F)NC(=O)OC(C)(C)C 1982479763 SRSFKDZDHOOOAE-REWPJTCUSA-N 426.548 5.066 30 10 IKEE C=CC1(C[C@H](NCCC)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)CCC1 2002629155 ZXSWQVBYHRHUOL-GOTSBHOMSA-N 429.649 5.126 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C1(C)C 2005327924 GMROTMNADIHLOT-OSPHWJPCSA-N 429.561 5.261 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)C1(C)C 2013407806 OXYLPOUWKZEPPR-SBUREZEXSA-N 449.979 5.667 30 10 IKEE C=C1CCC(C[C@H](CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)NCCC)CC1 2035440376 DLKCWSYFSLHARK-RUZDIDTESA-N 443.676 5.518 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C12CCCCC2 2072196523 FTMPVDSJBJNBIS-VWLOTQADSA-N 441.572 5.644 30 10 IKEE C#CC[C@H](C)C[C@@H](NCCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2076099330 OYEZMBJZDAQIFH-CAKYRVLISA-N 442.644 5.248 30 10 IKEE Cc1ccc([C@H](C2CCC2)n2nc(C3CCC3)c(C#N)c2I)c(C)c1 2079038114 VMENPYBIKGWCQH-FQEVSTJZSA-N 445.348 5.633 30 10 IKEE CCCc1ccc([C@@H](n2nc(C(F)(F)F)c(C#N)c2Br)C(C)(C)C)cc1 2079895196 PTMGFHVRHFGUHI-MRXNPFEDSA-N 428.296 6.124 30 10 IKEE COc1ccc([C@H](C2CCC2)n2nc(C(F)(F)F)c(C#N)c2Br)cc1F 2080119804 QJKGLYDWJJEYFU-AWEZNQCLSA-N 432.215 5.073 30 10 IKEE Cc1sc([C@H](C#N)C(=O)CSCCc2nc3ccccc3[nH]2)nc1-c1ccccc1 2084270691 QCUXZTSIYRZOEH-QGZVFWFLSA-N 432.574 5.147 30 10 IKEE N#Cc1ccc(Nc2cc(Br)c(Br)c(Br)c2)c(N)c1 2095445919 NZSBLSNMDFQNKV-UHFFFAOYSA-N 445.940 5.172 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)C1CC2(C1)CC2(F)F 2130895703 MQWAYLWYTZDMAE-HBSPSFQMSA-N 427.289 5.518 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)ccc(F)c1Br 2145542518 ARMYKUIGXLYYSF-CRAIPNDOSA-N 445.348 5.075 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)CCC12CC2 2208959200 KEWFEYFPAPJUES-RUZDIDTESA-N 441.572 5.250 30 10 IKEE CCCC#C[C@@H](NCCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2213316847 VZVBKZDSCVBGAC-ZEQKJWHPSA-N 428.617 5.002 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CCCC[C@]2(C#N)N(C(=O)OC(C)(C)C)C2CCCC2)C1 2215767195 QVWVXWVDOBPCRC-XMMPIXPASA-N 433.593 5.240 30 10 IKEE N#Cc1cc(Br)ccc1Nc1cc(Br)c(Br)cc1N 2225694770 YXCBQPQJKAIFEK-UHFFFAOYSA-N 445.940 5.172 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1sc(C)c(C)c1Br 2229303043 AAINOLHXMAHDFQ-DOTOQJQBSA-N 445.467 6.028 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1Cc2ccc(Nc3cc(Br)cc(C#N)c3)cc2C1 2234126026 HQXMLDCKMAEJMO-IBGZPJMESA-N 428.330 5.056 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(CC2CC2)C(=O)OC(C)(C)C)C[C@H]2CCCC[C@H]21 2246646656 KDJDVJNWRUYCKH-IECBHUPTSA-N 433.593 5.095 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)C1(C#N)CCCN(C(=O)OC(C)(C)C)CCC1 2257007612 DGNAXQDHILYVBN-UHFFFAOYSA-N 443.588 5.810 30 10 IKEE C=CCCC1([C@H](O)c2cc(Br)cc(C(C)C)c2)CN(C(=O)OC(C)(C)C)C1 2280950747 VHJJMGBOIOCDGK-LJQANCHMSA-N 438.406 5.809 30 10 IKEE CCCN[C@H](C#CC1CCCC1)c1cc(I)ccc1Br 2289781836 BAFIFVKZNPAHQL-QGZVFWFLSA-N 446.170 5.288 30 10 IKEE CCCCN1C(=O)C(=C2Sc3ccc(Cl)cc3N2C)SC1=Nc1ccccc1C 2295190055 MRMVEXZDGFXVGY-UHFFFAOYSA-N 444.025 6.423 30 10 IKEE O=C(Oc1ccc(F)cc1C(=O)C=Cc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 2296001971 RLMRDGMPZIOTPM-UHFFFAOYSA-N 425.799 5.503 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C(=O)C#Cc2ccc(Br)cc2)(C(C)(C)C)C1 2296230226 RCWDYPPOAGDSLF-JOCHJYFZSA-N 434.374 5.043 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)C(C)(C)CN(C)C(=O)OC(C)(C)C 2296302366 IBZLAFHGHMWLSZ-IBGZPJMESA-N 437.422 5.062 30 10 IKEE Cc1c(OCc2cccc(Cl)c2)ccc2c1OC(=Cc1cn(C)c3ccccc13)C2=O 2296605656 IONAXSZBJDZEKE-UHFFFAOYSA-N 429.903 6.335 30 10 IKEE Cc1ccc([C@@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 2296925466 HJUJNWSQBWVYSQ-JOCHJYFZSA-N 440.524 5.539 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)[C@H]2CC[C@H]21 2297066829 MZKHEYBDKFWBJN-DFIYOIEZSA-N 441.572 5.105 30 10 IKEE O=c1c(C=NC2CCCCCCC2)c(-c2ccccc2)[nH]n1-c1nc2ccccc2s1 2297100578 LCOQGMQPGYDEEH-UHFFFAOYSA-N 430.577 5.974 30 10 IKEE C=CCC(CC=C)[C@H](NCCC)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2301038095 WGRFMUHOJQBYIZ-ZEQRLZLVSA-N 429.649 5.148 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1CCCC12CN(C(=O)OC(C)(C)C)C2 2301375756 KDLUETZEPJNVRP-XZOQPEGZSA-N 428.617 5.165 30 10 IKEE C[C@@H]1CC[C@]2(N=Cc3ccccc3O)Oc3ccccc3[C@@H](N=Cc3ccccc3O)[C@H]2C1 2313625002 OWYKDRRRWCDWCE-ATWUYVGHSA-N 440.543 5.902 30 10 IKEE CCc1nnc(SCc2ccccc2)n1N=Cc1cccc(OCc2ccccc2)c1 2321004391 RLKKRJBMBYRCDR-UHFFFAOYSA-N 428.561 5.594 30 10 IKEE Cc1cc(C)cc(CSc2nnc(C)n2N=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 2321817826 URVLZOZJUKQGSJ-UHFFFAOYSA-N 447.520 5.546 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc3c2CN(Cc2ccc(C)cc2)CO3)C1=O 2321958540 LICGVXBDTJFQMM-UHFFFAOYSA-N 427.500 5.362 30 10 IKEE Cc1ccc(COc2cccc(C=Nn3c(S)nnc3CCc3ccccc3C)c2)cc1 2321993806 IKVISXQAUVSNMT-UHFFFAOYSA-N 442.588 5.430 30 10 IKEE CCCCCCCCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(C)o1)C3=O 2322134286 XZCYTKTURFLSHL-UHFFFAOYSA-N 437.580 6.805 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Br)ccc2OCc2ccccc2F)cc1 2322586254 NPWKYIKIYJKHBO-UHFFFAOYSA-N 425.297 6.372 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2ccccc2)cc1 2322611829 YHSGIOMDAFXSGR-UHFFFAOYSA-N 449.934 6.042 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1 2322732925 SDBSMKSPIUKSJK-UHFFFAOYSA-N 440.970 8.092 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cc(Cl)ccc2OCCc2ccccc2)cc1C(C)C 2322799785 GTUQIZYUUFCLCI-UHFFFAOYSA-N 448.990 7.298 30 10 IKEE CCn1cc(C=C2Oc3cc(OC(=O)Cc4cccs4)ccc3C2=O)c2ccccc21 2322864043 QYRBNVZEGMIWGS-UHFFFAOYSA-N 429.497 5.487 30 10 IKEE CCN(CC)C(=O)COc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)ccc1OC 2323328224 MCJLFCFGEGLARY-UHFFFAOYSA-N 447.531 5.000 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1C 2323370603 WFRGAJNFWMOFJJ-UHFFFAOYSA-N 430.460 5.125 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1ccccc1F 2323379629 XMJWBJVOBNUOFK-UHFFFAOYSA-N 447.462 5.946 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc3C2=O)cc1 2323396216 JSRAWBFPYZBEHA-UHFFFAOYSA-N 436.463 5.613 30 10 IKEE Sc1nnc(C2CCCCC2)n1N=Cc1cccc(OCc2ccc(Cl)cc2)c1 2323481757 NHBOYTWDZGEOJO-UHFFFAOYSA-N 426.973 5.729 30 10 IKEE CCOc1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2sccc2C)C3=O)cc1 2323512323 DBPZMAGERWCAIR-UHFFFAOYSA-N 446.524 5.999 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(OC)c(OCc3cccc(F)c3)c(OC)c2)cc1 2323536831 SICOJOYSIYOMJP-UHFFFAOYSA-N 448.534 6.661 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)ccc1OCc1ccc(Cl)cc1Cl 2323627010 SAOUWERNQKMFRK-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)ccc1OCC(=O)NC1CCCCC1 2323627199 UDYPACDWSTZWCN-UHFFFAOYSA-N 427.928 5.072 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)cc(Cl)c1OCc1ccc(F)cc1 2323702451 FFXIRZAHFJTSGA-UHFFFAOYSA-N 440.898 6.362 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(Cl)c2)cc(OC)c1OCc1ccc(C)cc1 2323775017 OLXUDLRACXRLTJ-UHFFFAOYSA-N 432.947 6.861 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OCC(=O)Nc1c(C)cccc1C 2323777421 FDRTXXCISCCFTG-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc(F)c2)c(Br)c1)c1ccc(Cl)cc1 2323790786 KEWWKIAMKAPQGE-UHFFFAOYSA-N 445.715 6.717 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(CC)cc2)C3=O)c1 2323858233 VSJDRCCCUTYGAK-UHFFFAOYSA-N 440.495 5.958 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@H]3CC[C@H]2N(C(=O)OC(C)(C)C)C3)cc1 2324110154 UTCRMBKCELYTRB-BSWQBHCVSA-N 441.572 5.418 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OCc1ccc(Cl)cc1 2324561624 CXLIPSRMUSJLQT-UHFFFAOYSA-N 434.963 7.139 30 10 IKEE Cc1cc(OCCCCOc2ccccc2)cc2c1C(=O)C(=Cc1ccc(C(C)C)cc1)O2 2324584973 CPNHQTAQQQZSGM-UHFFFAOYSA-N 442.555 6.973 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCCCO)c(Br)c2)c2ccccc12 2324682828 UDDCQGUJFNCUEA-UHFFFAOYSA-N 441.321 5.268 30 10 IKEE CCCCCCOC(=O)COc1cc(C)c2c(c1)OC(=Cc1cn(C)c3ccccc13)C2=O 2325031046 GUOOSYCJHUHKRL-UHFFFAOYSA-N 447.531 5.605 30 10 IKEE Cc1ccccc1C=C1Oc2cc(O[C@@H](C)C(=O)Nc3c(C)cccc3C)cc(C)c2C1=O 2325145639 RGAKFVWOFDVKMR-FQEVSTJZSA-N 441.527 5.942 30 10 IKEE Cc1ccsc1C=C1Oc2cc(O[C@H](C)C(=O)Nc3ccc(C#N)cc3)cc(C)c2C1=O 2325307092 SRDWGQOCBINPFK-MRXNPFEDSA-N 444.512 5.259 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OCc3ccc(C(=O)OC(C)C)o3)cc(C)c2C1=O 2325388107 VBQRMOINWHUOTO-UHFFFAOYSA-N 432.472 5.657 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccccc1[N+](=O)[O-] 2325522065 NTTIQZQMAWZPMM-UHFFFAOYSA-N 429.933 5.357 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(F)c(Cl)c2)cc2c1C(=O)C(=Cc1ccco1)O2 2325592907 MWQVXZOFNSOLGM-UHFFFAOYSA-N 427.815 5.014 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)COc3ccc(C)c(C)c3)c2)cc1 2325704336 UGVLSMRCIUYDDB-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)CCCOc3ccc(C)cc3)c2)cc1C 2325714855 SZFSAAJDEHHRQN-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccccc3OC)c2)cc1 2325733870 HOGICPNXBFNJFW-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE COc1cccc(CCC(=O)Oc2cc(C=CC(=O)c3ccc(C)cc3)ccc2OC)c1 2325737806 HXVQYVDCUCCDOC-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cccc(OC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)c2)c1 2325740448 JUIBNQLUORKLGJ-JOCHJYFZSA-N 442.555 6.696 30 10 IKEE CCOc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3cc(OC)ccc3OC)c2)cc1 2325744215 BDLAYXXKJQPREY-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2cccc(OC(=O)c3cccc4ccccc34)c2)cc1 2325746351 DIUHHDVFWTVDRW-UHFFFAOYSA-N 434.535 7.253 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1OC(=O)CCCOc1ccc(C)cc1 2325750929 ZECRFDWRGVUBTA-UHFFFAOYSA-N 448.490 5.803 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)c2ccccn2)c1 2325756132 BDTZVYCIMPGCFB-UHFFFAOYSA-N 428.271 5.512 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OC(=O)Cc1cc(C)ccc1C 2325759724 RXQLBMBTZOCOLH-UHFFFAOYSA-N 428.528 5.973 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)ccc2OC)cc1OC(=O)c1sccc1C 2325779367 IRDYRRHBVGRURT-UHFFFAOYSA-N 442.920 5.842 30 10 IKEE CCCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1ccc(CC)cc1 2326331801 FOSZDWUWTXAVBV-UHFFFAOYSA-N 434.653 6.655 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccc(OC)c(OC)c1Cl 2326382506 QSIBQXQLRZBULP-UHFFFAOYSA-N 444.988 5.384 30 10 IKEE CCOc1cc(C=Nn2c(C)nnc2SCc2ccc(C)cc2C)cc(Cl)c1O 2326433238 JHUPKGIQQTYOJA-UHFFFAOYSA-N 430.961 5.136 30 10 IKEE Clc1ccc(C=Nn2cnnc2SCc2ccc(Br)cc2)c(Cl)c1 2326606557 UXYOLTRCWBEIAI-UHFFFAOYSA-N 442.169 5.522 30 10 IKEE CCOc1cccc(C=Nn2c(CC)nnc2SCc2cccc3ccccc23)c1O 2326637587 QABYJBDPTNPNJL-UHFFFAOYSA-N 432.549 5.273 30 10 IKEE CCCc1nnc(SCc2cccc(F)c2)n1N=Cc1cc(Cl)c(OC)c(OC)c1 2326733604 NPZYZTFGNRILOH-UHFFFAOYSA-N 448.951 5.215 30 10 IKEE CCc1nnc(SCc2ccc(C(=O)OC)cc2)n1N=Cc1ccc(Cl)c(Cl)c1 2326793826 QTCGPWBILTWFNW-UHFFFAOYSA-N 449.363 5.108 30 10 IKEE C=C(C)CSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(OCC)cc1 2327751667 NGDYHAUVHBDVNB-UHFFFAOYSA-N 442.588 5.971 30 10 IKEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1c(F)cccc1Cl 2328075377 ZHJCGHGGBYJGNO-UHFFFAOYSA-N 435.355 5.670 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2N=Cc2ccc(O)c(OCC)c2)CC1 2328179972 KTUFZOKLXFQTEC-UHFFFAOYSA-N 444.645 6.231 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2)n1N=Cc1ccc(Cl)cc1 2329486860 JCZDBNHJCPQTQV-UHFFFAOYSA-N 447.007 6.200 30 10 IKEE Clc1ccccc1CSc1nnc(COc2ccccc2)n1N=Cc1cccs1 2329919414 XPTUBJMYLFIPPT-UHFFFAOYSA-N 440.981 5.747 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cc(C)ccc3C)n2N=Cc2ccccn2)cc1 2329995438 XEQKEVIYJAQFSX-UHFFFAOYSA-N 427.577 5.364 30 10 IKEE CSc1nnc(-c2ccccc2)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2330621983 UUTSZWQFQQEZRM-UHFFFAOYSA-N 434.952 5.782 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2)n1N=Cc1ccc(OCCCC)c(OC)c1 2330671380 ILMADPSNUATLCA-UHFFFAOYSA-N 436.581 5.683 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1cccc(F)c1 2330695712 XXHAPZDDNZGWSB-UHFFFAOYSA-N 444.502 6.219 30 10 IKEE CCCCCCC(=O)Oc1c(OC)cc(C=CC(=O)c2cccc(OC)c2)cc1OC 2330778186 UCJPDZKDOSYTMR-UHFFFAOYSA-N 426.509 5.484 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1)c1ccc(Cl)cc1Cl 2330804394 BLMOWJOJFLRTQS-UHFFFAOYSA-N 447.317 7.262 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(CC(C)(C)C)n2N=Cc2sccc2C)cc1 2330824152 AHMYXTFNTTUCJO-UHFFFAOYSA-N 441.626 5.158 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3cccc(C)c3C)cc2)cc1 2330824495 ACPDBUQZDKRSGQ-UHFFFAOYSA-N 442.555 6.527 30 10 IKEE O=C(Cc1ccc(Cl)c(Cl)c1)Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1 2330910528 RBNLIGASMAGWDM-UHFFFAOYSA-N 445.729 6.691 30 10 IKEE C=C(C)CSc1nnc([C@@H]2CCCO2)n1N=Cc1ccc(OCc2ccc(C)cc2)cc1 2330953278 KPCCQTBPBXCPDT-QHCPKHFHSA-N 448.592 5.567 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)c1cccs1 2331084086 CRQARUVKTLIJID-UHFFFAOYSA-N 434.847 5.804 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccco3)n2N=Cc2ccc(C(C)(C)C)cc2)c1 2331183666 WMCDBUYFAYLFGC-UHFFFAOYSA-N 430.577 6.319 30 10 IKEE COCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1cccc2ccccc12 2331282313 CYSCAZVXAHNTJS-UHFFFAOYSA-N 430.577 5.412 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3C)c(OC)c2)cc1 2331311996 SDAFKMDTZJIPSZ-UHFFFAOYSA-N 430.500 5.908 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(OCC)c(OC)c1 2331328824 PVSPVLXHYPEJQJ-UHFFFAOYSA-N 442.560 5.342 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C(C)(C)C)cc1O 2331405487 MECSSRAAUSQIQE-UHFFFAOYSA-N 430.961 5.118 30 10 IKEE CC(C)Cc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2331443413 KOSMRFQJMRFGBN-UHFFFAOYSA-N 447.923 5.352 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc4ccccc4n3C)cc2)cc1F 2331452175 OOAWEEYDGJPTHE-UHFFFAOYSA-N 429.447 5.441 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2ccc(C=CC(=O)c3cccc4ccccc34)cc2)cc1 2331470129 LGRNLPZIELGSPA-UHFFFAOYSA-N 434.535 7.253 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2)cc1 2331489975 PKPRDKNCYBIFSG-UHFFFAOYSA-N 442.555 6.643 30 10 IKEE O=C(Cc1ccccc1Cl)Oc1ccc(C=CC(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 2331527586 IYKLIRWTVYIZNO-UHFFFAOYSA-N 439.826 5.432 30 10 IKEE COCc1nnc(SCc2ccccc2F)n1N=Cc1c(Cl)cccc1Cl 2331577638 SBQOGUZJPXJHMI-UHFFFAOYSA-N 425.316 5.045 30 10 IKEE CCCc1nnc(SCc2ccc(C(=O)OC)o2)n1N=Cc1ccc(C(C)(C)C)cc1 2331648997 LVBXOINZYWJKOZ-UHFFFAOYSA-N 440.569 5.082 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2)cc1C 2331705259 XEGZFNDNKFZUMI-UHFFFAOYSA-N 440.495 5.565 30 10 IKEE CC(C)c1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(Cl)c(Cl)c1 2331708203 PQOQKDLWFVMUNK-UHFFFAOYSA-N 439.799 6.536 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3OC)cc2)c(OC)c1 2331717139 VUUFNKDFHUNYSX-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE CN(C)c1ccc(-c2nc3cc(/N=C/c4cc(Cl)cc(Cl)c4O)ccc3o2)cc1 1958515 DNMBYQSRDFBFPT-BRJLIKDPSA-N 426.303 6.324 30 10 IKEE C=CCc1ccccc1OCC(=O)Nc1scc(-c2ccc(C)cc2)c1C(=O)OCC 2610016 UBVRZEQKQOERSI-UHFFFAOYSA-N 435.545 5.646 30 10 IKEE O/C(Cc1cc2ccccc2[nH]1)=N\[C@@H](/C(O)=N/c1ccc2c(c1)OCCO2)c1ccccc1 3614634 PBKXATUQAJWITG-RUZDIDTESA-N 441.487 5.468 30 10 IKEE CN(Cc1ccccc1)S(=O)(=O)c1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1 12493120 OPSOPKZRXLVMGK-ZMOGYAJESA-N 449.359 5.270 30 10 IKEE Cc1ccccc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2nc(SCc3ccccc3)nn21 17097177 KYUQQIPAPLFSLE-QFIPXVFZSA-N 430.577 5.537 30 10 IKEE Cc1ccc(SCCC(=O)Nc2sc3c(c2C#N)CCN(Cc2ccccc2)C3)cc1 20547181 WVSOFYPHHRPMBG-UHFFFAOYSA-N 447.629 5.607 30 10 IKEE COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2OC)c1 21218835 WDGCUGFWJBGAGP-CLYVBNDRSA-N 426.516 5.683 30 10 IKEE N#Cc1ccc(C(=O)Nc2ccc(-c3cccc(-c4ccc5c(c4)OCCO5)n3)cc2)cc1 23460113 ZPMNDTWYXYWOHM-UHFFFAOYSA-N 433.467 5.311 30 10 IKEE O=C(/C=C/c1ccc(-c2cccc(Cl)c2)o1)c1ccc(NC(=O)c2ccccc2)cc1 28357052 SGDKTSUZZQEWID-FYWRMAATSA-N 427.887 6.748 30 10 IKEE N#CC1(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)o3)cc2)CCCC1 30826360 INUJFMMDDFRFRL-UHFFFAOYSA-N 425.315 6.841 30 10 IKEE COc1ccc(/N=C2/S/C(=C/c3ccc(OCc4ccc(F)cc4)cc3)C(=O)N2C)cc1 33349591 VCUUGNMDCWTESF-VCICBFQVSA-N 448.519 5.647 30 10 IKEE C=CCN1C(=O)c2[nH]nc(-c3cc(Cl)c(C)cc3O)c2[C@H]1c1ccc(SC)cc1 39914579 CXUNSOQDTBCKOI-OAQYLSRUSA-N 425.941 5.197 30 10 IKEE COc1ccccc1CN1COc2c(cc3c(c2C)O/C(=C\c2ccccc2F)C3=O)C1 41586932 DUWUXTDJMQTSMP-FMCGGJTJSA-N 431.463 5.111 30 10 IKEE COC(=O)/C(=N/Nc1ccccc1)Sc1ncc(-c2ccccc2)n1-c1ccccc1 59121458 KSBDHCPLHSUSBM-QYQHSDTDSA-N 428.517 5.230 30 10 IKEE CCOc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc2ccccc12 59535939 GBBMEMKXZGQDNI-WPWMEQJKSA-N 441.487 6.172 30 10 IKEE CCOc1ccc(C(=O)/N=C(/NCCc2c[nH]c3ccccc23)Nc2ccc(F)cc2)cc1 66437683 YUEGGYKFJSDUPG-UHFFFAOYSA-N 444.510 5.146 30 10 IKEE CCCCCCCOc1cccc(NCC(=O)Nc2cccc(C(=O)N(CC)CC)c2)c1 100090179 BQVQTCNGMBKHQI-UHFFFAOYSA-N 439.600 5.568 30 10 IKEE CCCCCCCC(=O)NN1C(=O)c2ccccc2N[C@H]1c1ccc(Br)o1 101314507 MAXIAUKWUPLLLS-LJQANCHMSA-N 434.334 5.000 30 10 IKEE CC(C)(C)c1ccc(C(=O)N2CCN(c3oc(/C=C\c4cccs4)nc3C#N)CC2)cc1 102887949 GOXPVVIIQFTAGJ-KHPPLWFESA-N 446.576 5.038 30 10 IKEE Cc1ccc(/C=C2/Oc3cc(OS(=O)(=O)c4ccc(Cl)cc4)ccc3C2=O)cc1 103022493 JXRFANOIPHASNZ-CIAFOILYSA-N 426.877 5.032 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C/c1cc(Cl)cc3c1OCOC3)C2=O)c1ccccc1 103024762 ZFANWYHKOXQKNJ-UFFVCSGVSA-N 434.831 5.042 30 10 IKEE O=C1/C(=C\c2ccccc2F)Oc2cc(OCc3c(F)c(F)c(F)c(F)c3F)ccc21 110527047 XHMRZVUQSPAIOW-FRKPEAEDSA-N 436.307 5.716 30 10 IKEE C=CCN(C)CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)cc1F 148844272 ZQGTWYBVWBJYAX-UHFFFAOYSA-N 448.376 5.876 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2cccc(C)c2)cc1 169923047 KPZWIBVHCFRGHU-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CCN1C(=S)N[C@@H](c2cc(Cl)ccc2OC(C)C)C(C(=O)c2ccccc2)=C1C 169931539 WTLJYGWPKMRELY-NRFANRHFSA-N 428.985 5.535 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2cccs2)cc1 169984611 DRCKOMVPWKMEBR-OAQYLSRUSA-N 437.948 6.055 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2cccs2)c1 169987708 ZDGUJFKWCLFXFT-HXUWFJFHSA-N 441.455 5.208 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C2CCCCC2)cc1 170114710 ZJZYMEBQKRKVAN-RUZDIDTESA-N 445.559 5.485 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@H]1c1ccc(OC)cc1 170116524 KECSQANYZZSGAX-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(O)cc2)ccc1OC(C)C 170138508 OGCNRIBSJHIVQO-QHCPKHFHSA-N 435.520 5.009 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc(OC(C)C)c1 170153209 JWWSMMXJPHVLLE-VWLOTQADSA-N 443.543 6.005 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2cccs2)c1 170156087 QZBOHOJEJSVPDV-JOCHJYFZSA-N 449.528 5.165 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1cccs1 170157426 JPXYCKHJWFFOFM-JOCHJYFZSA-N 447.556 5.843 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccccn2)cc1C 170172159 JYOPWJZKQOSYOU-DEOSSOPVSA-N 442.515 5.188 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(C(C)C)cc2)cc1 170246241 PPAQSSNBBNJVON-VWLOTQADSA-N 447.575 6.120 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4)[C@H]3c3ccccc3F)oc12 170249239 JQFASIUIRWNWKE-QFIPXVFZSA-N 443.430 5.363 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2ccccc2)cc1 170265585 HBPGPTAFXZIHTR-GKVSMKOHSA-N 439.511 5.355 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2ccco2)c1 170290737 ATKOJWIZILJEMO-OAQYLSRUSA-N 439.414 5.128 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccc(C)o2)c1 170301975 IVVDQEBZDKFSGZ-XMMPIXPASA-N 445.515 5.777 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@H]1c1sccc1C 170319247 RWMPEZNWELWZRO-NRFANRHFSA-N 441.593 5.860 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C(C)(C)C)cc2)cc1 170326522 LYNOHDPMLHNHIO-QFIPXVFZSA-N 431.488 5.369 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(O)c(Cl)c2)cc1C 170368256 QWPPCHUVSWFNFI-QFIPXVFZSA-N 433.891 5.445 30 10 IKEE Cc1cc2nc(N3C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]3c3ccc(O)cc3)sc2cc1C 170451265 GBDWLUWBQTYNBQ-LJQANCHMSA-N 436.533 5.134 30 10 IKEE COc1ccc(-c2ccc(Nc3c(C#N)cnn3-c3cc(C)c4cccc(C)c4n3)nn2)cc1 170547579 UWFSGIFJMNCHNF-UHFFFAOYSA-N 447.502 5.118 30 10 IKEE O=C(/C=C\c1ccc([N+](=O)[O-])cc1)c1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1 207017059 OXTHCMFUXVRIEM-KNBRTIFXSA-N 428.400 5.295 30 10 IKEE CC(C)(C)c1cc(N=C/C=C\C2=C3N(CCC2)c2ccccc2C3(C)C)cc(C(C)(C)C)c1 254402994 PQNSURMKLICNHT-BXRZWNTRSA-N 440.675 8.386 30 10 IKEE Cc1cccc(C)c1N=C1c2ccccc2C2=NC(=O)N[C@@](c3ccccc3)(C(F)(F)F)N21 254404237 PDPNBRKRUUTBAI-XMMPIXPASA-N 448.448 5.582 30 10 IKEE O=S(=O)(Nc1ccccn1)c1ccc(N=Cc2ccccc2OCc2ccccc2)cc1 254483988 ZUAMHLSIDAJCBN-UHFFFAOYSA-N 443.528 5.212 30 10 IKEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(NC(=O)c2cccc(OCc3ccccc3)c2)c1 405001377 LZATXAXNZUUHPR-UHFFFAOYSA-N 443.352 5.126 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccncc2)c1 526488578 PMFBQKZQTYYDRO-DEOSSOPVSA-N 425.488 5.189 30 10 IKEE CCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccc(Cl)c([N+](=O)[O-])c1 526811530 NLGNFKBWYJREJZ-FBHDLOMBSA-N 436.324 5.230 30 10 IKEE CCc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccc(Cl)cc1Cl 526817193 WJNXGYRCBGJOQN-YVNNLAQVSA-N 425.772 5.975 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1cccc(OCC)c1O 526818111 QWIWWFOKOCWHTK-MSXFZWOLSA-N 448.951 5.302 30 10 IKEE Cc1ccc(/N=C(\C(=N)Nc2ccc(C)cc2)N(c2ccc(C)cc2)c2ccc(C)cc2)cc1 585668536 MDAYYRNSZUYAAI-KKYHWDRJSA-N 446.598 7.878 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@](C)(C#N)Cc1ccccc1F 698483147 UKLKOBUMIVVSDS-OAQYLSRUSA-N 433.321 5.855 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1 698823990 DZQMHFZTPIFOTQ-BXKMTCNYSA-N 445.560 5.118 30 10 IKEE CCCCCCCCCC[C@H](O)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 703014441 UBBQBTDEAATYEK-FQEVSTJZSA-N 442.438 7.360 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)CC1 704042096 JENQDDUGGORPPN-HSZRJFAPSA-N 433.524 5.251 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)CC1 704046534 ZCWORXRWYUNJHO-QHCPKHFHSA-N 433.524 5.251 30 10 IKEE CCCCCCCCCCC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 705476130 HUOWHRRSLIYEIJ-XUZZJYLKSA-N 433.633 6.585 30 10 IKEE CSc1nc2ccc(N=Cc3ccc(Sc4ccccn4)c([N+](=O)[O-])c3)cc2s1 1083920958 XGXKFEQRKRLFBK-UHFFFAOYSA-N 438.559 6.223 30 10 IKEE Oc1ccccc1C=Nc1ccc2nc(SCc3c(Cl)cccc3Cl)sc2c1 1083953730 ZRDCHGXCFSEDPB-UHFFFAOYSA-N 445.396 7.352 30 10 IKEE O=C1CSC(=NN=Cc2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)N1c1ccccc1 1088645940 LGAPWEORQSIXJO-UHFFFAOYSA-N 444.947 5.958 30 10 IKEE Fc1c(F)c(F)c(NN=Cc2cccc(OCc3ccc(Cl)cc3)c2)c(F)c1F 1565518918 QBXFQVLTLNLCDL-UHFFFAOYSA-N 426.772 6.061 30 10 IKEE N#C[C@H](c1ccc(Br)cc1F)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 1614720160 KPHQIZYDKYEQNU-APWZRJJASA-N 431.305 5.244 30 10 IKEE CCOc1ccc(NC(=NN=Cc2ccc(C(C)C)cc2)c2nc3ccccc3s2)cc1 1772742246 YXRSVKXDKVHTIL-UHFFFAOYSA-N 442.588 6.711 30 10 IKEE Cc1ccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)nn2Cc2cccc(Cl)c2)cc1C 1859395022 AIHRMQGIZYDMGE-UHFFFAOYSA-N 440.934 5.993 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 1860729852 QVHUFBVVTJGDNS-FMIVXFBMSA-N 426.299 5.793 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)c1ccccc1C(F)(F)F 1861042616 SFECVDJAEYPVHJ-HXUWFJFHSA-N 428.539 5.861 30 10 IKEE CCCCCCCCNC(=O)[C@@H](C)NC(=O)c1ccc2[nH]c(-c3ccc(CC)cc3)nc2c1 1861435533 ABGGXWWWEWJXRL-LJQANCHMSA-N 448.611 5.387 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2)cc1 1862387639 PILOUBBMGUZPDF-QHCPKHFHSA-N 431.557 5.869 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc(O)c(O)c2)cc1 1862392156 QSZDJZBXAZHHCZ-HSZRJFAPSA-N 437.536 5.065 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@@H]2c2ccccc2F)cc1OCCC 1862426076 MWSNKHOXAYEVOD-JOCHJYFZSA-N 441.499 5.002 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(C(C)C)cc1 1862434276 VVGOGTDLKNQWDC-JOCHJYFZSA-N 425.956 6.088 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(C)cc1 1862464681 CTUVFBYKOUEAAM-HXUWFJFHSA-N 442.353 5.526 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2C)cc1 1862475688 RZMHWJORMHDRKH-FNZWTVRRSA-N 439.555 6.205 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccccc2C)cc1 1862532246 GRQORQZADHLBCB-CLOONOSVSA-N 425.528 5.897 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(OCCCCC)cc1 1862540834 XDFCCNCXAOXUKK-DEOSSOPVSA-N 433.548 5.582 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1c(Cl)cccc1Cl 1862553061 GOBSMJFPXQDMLA-OAQYLSRUSA-N 444.358 5.859 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(C(=O)O)cc1 1862582631 JIQVUTXUCCJSRH-SFHVURJKSA-N 448.302 5.070 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2cccc(F)c2)cc1 1862615868 MUSLZKSCUVZVHI-DEOSSOPVSA-N 449.566 6.424 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccccc1Cl 1862618659 XHHPAYLADOOBGI-OAQYLSRUSA-N 441.955 5.252 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(Cl)cc2)cc1 1862661484 QMHLDJPXUKCORQ-QHCPKHFHSA-N 437.967 6.374 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCCc2ccccc2)[C@H]1c1cccc(F)c1)c1ccc(F)cc1 1862674238 UDFUAZSVRYCLGG-DEOSSOPVSA-N 447.481 5.566 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(OCC)c(OC)c1 1862680149 VGKHIOPZGVMCHU-QFIPXVFZSA-N 441.499 5.002 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccccc1F)c1ccc2ccccc2c1 1862715778 RIKNIQIDTZDRHP-RUZDIDTESA-N 443.518 6.280 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(C(F)(F)F)c3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862903848 XSWVRYBWAYQDRB-UHFFFAOYSA-N 447.416 5.282 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(F)c2)=C(c2ccc(OCC)cc2)C1=O 1863203157 HDGOTZVHFGZZHS-UHFFFAOYSA-N 438.543 5.777 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(C)ccc2C)=C(c2ccc(C)c(C)c2)C1=O 1863248429 QTWDPWLAFTYJOA-UHFFFAOYSA-N 432.608 6.473 30 10 IKEE CCCCCCCCNC1=C(c2ccc(F)cc2F)C(=O)N(Cc2ccccc2F)C1=O 1863656730 UADNNSFWWOGVCN-UHFFFAOYSA-N 444.497 5.334 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)c2cccc(Oc3ccccc3)c2)c1 1866007091 JKKTUBVXRPXBCU-UHFFFAOYSA-N 432.479 6.142 30 10 IKEE CCCCCCCCC(=O)Nc1scc(-c2ccc(C(C)C)cc2)c1C(=O)OCC 1866090368 HCWURKTYYIOGBB-UHFFFAOYSA-N 429.626 7.404 30 10 IKEE CCCCCCCCn1cc(OCCOC(C)C)c(=O)cc1CN(C)Cc1ccccc1 1870540911 TXUXQSLMTQDIMF-UHFFFAOYSA-N 442.644 5.645 30 10 IKEE CCCCCCCOc1cn(Cc2ccco2)c(CNc2ccc(OCC)cc2)cc1=O 1870835850 ADCAMYQPKQZFLZ-UHFFFAOYSA-N 438.568 5.850 30 10 IKEE CCCCCCCCn1cc(OCCCO)c(=O)cc1CNc1ccc(Cl)cc1C 1871266762 NWVQLFGDLLTVFJ-UHFFFAOYSA-N 435.008 5.544 30 10 IKEE CCCCCCCCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(OC)cc1)C3=O 1871349520 VJOOPVDVJWDMQQ-ITYLOYPMSA-N 449.591 6.604 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(Cl)cc1)O3)CN(C1CCCCCCC1)CO2 1871349636 UOGPNVUETFUCKT-UCQKPKSFSA-N 437.967 6.529 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3ccccc3F)C4)C2=O)cc1 1871352332 ALSRLTWAMSYELP-MSXFZWOLSA-N 445.490 5.501 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc4c3CN([C@@H](C)c3ccc5c(c3)CCCC5)CO4)C2=O)o1 1871354550 TXSSFDHBAXRTBM-GFEOOXAPSA-N 441.527 5.996 30 10 IKEE Cc1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1 1871367225 ZZOFBKFVCLBCCN-FDTILGBMSA-N 441.439 5.447 30 10 IKEE Cc1c(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(Cl)c2)C3=O)cccc1[N+](=O)[O-] 1871373472 IMQBZWJFOLEVPV-MTJSOVHGSA-N 449.846 5.700 30 10 IKEE Cc1cc(OC(=O)/C(Cl)=C/c2ccccc2)cc2c1C(=O)/C(=C/C=C/c1ccccc1)O2 1871377309 FLCFCLLSXZRUGB-RZBJXWCISA-N 442.898 6.353 30 10 IKEE O=C1/C(=C/c2ccncc2)Oc2cc(OC(=O)c3c(Cl)ccc(Cl)c3Cl)ccc21 1871383844 WWTWVBAYHKEWFK-MFOYZWKCSA-N 446.673 5.877 30 10 IKEE Cc1ccc(OCCCCOc2cc(C)c3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871404602 LPUBZZUHLHXNFE-XYGWBWBKSA-N 448.946 6.811 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccc(CC)cc4)ccc3C2=O)cc1 1871411951 RRSKFLKPVKMYQD-FELJGRNJSA-N 441.527 5.834 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccc(Cl)cc4)ccc3C2=O)cc1 1871414866 QOUZEMAPAXSGIE-GEWRUKCFSA-N 433.891 5.671 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1cc(C)c2c(c1)O/C(=C\c1cccc(F)c1)C2=O 1871429819 YZBLUSBRGKLPQH-FYYJVHHASA-N 440.511 6.031 30 10 IKEE CCOc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2sccc2C)C3=O)cc1 1871452556 RUFYAYCJLIKLTH-BKUYFWCQSA-N 435.501 5.089 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2cccc(Cl)c2)C3=O)cc1C 1871459748 AYJULDUULFVUBJ-QRVIBDJDSA-N 447.918 5.899 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCc4cc(=O)oc5ccc(C)cc45)ccc3C2=O)cc1 1871460624 WNNLMLAFLYMVTE-ROTLSHHCSA-N 440.451 5.305 30 10 IKEE CCCCCCCCN=c1nc(N(CC)CCCC)[nH]c(=Nc2cccc(Cl)c2C)[nH]1 1871492029 STUBMYCZQKKPDG-UHFFFAOYSA-N 447.071 5.820 30 10 IKEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(F)cc1 1871828871 CABRQJKIFHKOCV-QHCPKHFHSA-N 446.588 5.179 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(Cl)cc1 1872529202 DBOUIYDBFKEZIY-JOCHJYFZSA-N 449.016 5.331 30 10 IKEE CC(C)c1ccccc1O[C@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc3ccccc3c2)cs1 1872760076 GTRUQVYXXMCDHE-WZONZLPQSA-N 440.568 6.730 30 10 IKEE N#C[C@@H](C(=O)Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2cccs2)cs1 1872771575 XKPWAALHQWNYSJ-FQEVSTJZSA-N 430.554 5.870 30 10 IKEE CCCSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1cccc(O)c1 1874206469 DFIPBXCSGNXONG-SSDVNMTOSA-N 437.352 5.254 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1ccccc1Cl 1874252589 PUUCVOVEQFECRE-MFKUBSTISA-N 441.000 5.802 30 10 IKEE CCCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc(N(C)C)cc1 1874279844 UBKLBRKZVIVZEN-LFVJCYFKSA-N 428.005 5.167 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2/N=C/c2cccc(OC)c2O)CC1 1874287501 IDXAJDZPOYIXBO-LFVJCYFKSA-N 430.618 5.841 30 10 IKEE CCSc1nnc(COc2c(C)cccc2C)n1/N=C/c1ccc(N(CC)CC)cc1 1874299495 DBDQXOPDPTVHTC-PCLIKHOPSA-N 437.613 5.314 30 10 IKEE C=CCSc1nnc(CCc2ccc(OC)cc2)n1/N=C/c1ccccc1OC(C)C 1874307201 KJRPJRNSPZJLGL-KOEQRZSOSA-N 436.581 5.019 30 10 IKEE COc1ccc(Cc2nnc(SCc3cccc(C)c3)n2/N=C/c2ccccc2)cc1 1874350293 FBACQHBXAFBUME-YZSQISJMSA-N 428.561 5.360 30 10 IKEE Cc1cccc(/C=N/n2c(CCc3cccs3)nnc2SCc2cccc(C)c2)c1 1874370045 FNZVBVYNHUJERG-PCLIKHOPSA-N 432.618 5.916 30 10 IKEE COc1cc(/C=N/n2c(SCc3ccccc3)nnc2[C@@H](C)c2ccccc2)ccc1O 1874395249 IDDXBQKVKCRAKM-PMFZIYJTSA-N 444.560 5.319 30 10 IKEE CCc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCc2ccccc2C)cc1 1874410670 GHZBITGOWQMEKY-PCLIKHOPSA-N 432.618 5.976 30 10 IKEE Cc1ccsc1/C=N/n1c(SCc2ccc(Cl)cc2)nnc1-c1cccs1 1874423979 OGAZOMJAPBBWEU-SRZZPIQSSA-N 431.011 6.204 30 10 IKEE C=C(C)CSc1nnc(C(C)C)n1/N=C/c1ccc(OCCCCCC)c(OC)c1 1874513284 PPMHRKCYKACPPZ-BUVRLJJBSA-N 430.618 5.920 30 10 IKEE CCCOc1ccc(/C=N/n2c(C)nnc2SCc2cccc(F)c2)cc1OCC 1874531226 XWDMKGXDABXPRI-ZVHZXABRSA-N 428.533 5.088 30 10 IKEE Cc1ccc(C(=O)/C=C/c2c(OCC(=O)NCc3ccccc3)ccc3ccccc23)cc1 1874579492 RCBDQIARYKWTKN-WUKNDPDISA-N 435.523 5.740 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCc2cccc(C)c2)cc1F 1874582285 HIKNTCHFECCMDH-VQHVLOKHSA-N 440.898 6.280 30 10 IKEE CCCOC(=O)COc1c(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)cc1OC 1874583045 UBOOWXPZCALVHS-FMIVXFBMSA-N 444.955 5.874 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3c(Cl)cccc3Cl)c2)cc1 1874595131 VXLLGLVZTIOBSU-WUXMJOGZSA-N 443.326 6.486 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OCC)c(OCC)c2)cc1OCCC 1874612980 VYUSBXLEFKOWQD-PKNBQFBNSA-N 446.971 6.611 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1 1874619494 DBOCSEDCQWRZHV-PKNBQFBNSA-N 435.907 5.571 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc(Cl)c1OCc1ccccc1 1874620480 CVLLZDQPVUAGHR-VQHVLOKHSA-N 436.891 5.595 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc(OC)c1OCc1ccc(C)cc1 1874623670 PILQCHZAHUKSPW-ACCUITESSA-N 446.518 6.355 30 10 IKEE CCCOc1ccc(/C=C/C(=O)c2cc(OCC)ccc2OCC)cc1Br 1874630511 GGZKCVCIKSYDHB-JXMROGBWSA-N 433.342 5.931 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OCC(=O)Nc2cccc(C)c2)cc1 1874633875 YXCCZJSHHZQWGP-FMIVXFBMSA-N 449.934 5.879 30 10 IKEE Cc1nc2ccc(C(=O)Oc3cccc(/C=C/C(=O)c4cccc(Cl)c4)c3)cc2nc1C 1874699460 WKKUJJLTTIVWBN-FMIVXFBMSA-N 442.902 6.015 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccccc2-c2ccccc2)c1 1874704561 VATWBAUSMATFID-WUKNDPDISA-N 448.518 6.786 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(C)c(C)c3)c2)cc1C 1874718416 YRNGQQJMEOUAOH-DHZHZOJOSA-N 444.527 6.053 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2OC)c1 1875094639 BUHWKCCHFSZUIR-ZRDIBKRKSA-N 447.443 5.117 30 10 IKEE O=C(Cc1cccs1)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1Cl 1875096754 CVZINHJNBCTFIH-YRNVUSSQSA-N 436.960 6.325 30 10 IKEE CSCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1[N+](=O)[O-] 1875097307 DYLQNNHNZLNYQS-XYOKQWHBSA-N 439.533 5.418 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 1875103248 PEWZYJBNGWUFJU-VIZOYTHASA-N 445.471 5.671 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1OC(=O)COC 1875105335 PGJYWSNLARJXEY-QPJJXVBHSA-N 443.710 5.493 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3)c(OCC)c2)cc1 1875106424 SBJWDTXXDMWCDE-NBVRZTHBSA-N 442.555 6.472 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)cc3)c(OC)c2)cc1C 1875109171 ZUZKAXQQXGLLET-NYYWCZLTSA-N 436.891 5.781 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3cncc(C)c3)c(OC)c2)cc1 1875112647 NBFUQIACENHKCJ-RUDMXATFSA-N 437.879 5.176 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)cc3)cc2[N+](=O)[O-])cc1 1875114110 KXUVZOCAHLDXGG-LNKIKWGQSA-N 447.443 5.117 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc4ccccc4n3C)c(OC)c2)cc1 1875115212 RNAUPBWNUXPWHO-RIYZIHGNSA-N 441.483 5.311 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)c1ccc(F)cc1 1875134299 WGLJULGIOVOJOF-RIYZIHGNSA-N 444.502 6.295 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccn3)c(Br)c2)c(C)c1 1875134695 GSLLVDDOIMIJET-JXMROGBWSA-N 436.305 5.576 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCSC)c(OC)c2)cc1 1875138558 AFRRTAXDSZWWKL-NTUHNPAUSA-N 428.550 5.429 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)CCCSC 1875182568 JYXSITXTBKNQQT-MDZDMXLPSA-N 442.577 5.574 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)cc(OC)c1OC(=O)C(C)(C)C 1875186406 UVUIKUFVZDLKQU-PKNBQFBNSA-N 442.939 5.933 30 10 IKEE N#C[C@H]1CC12CCN(C(=O)c1ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c1)CC2 1891809840 QLMLWQVMJFAELE-HSZRJFAPSA-N 444.538 5.730 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@H]1Nc1ccc(Br)cc1C#N 1924915299 RIEQYOWJESDVPY-KDOFPFPSSA-N 434.378 5.206 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@]1(C#N)Cc1cc(Br)ccc1Br 1982476672 VNVHQYWGHWOFNV-KRWDZBQOSA-N 444.167 5.047 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CC(F)(F)CCNC(=O)OC(C)(C)C)NCCC 1984172823 GJNGJLAGXYDNGP-HXUWFJFHSA-N 426.548 5.068 30 10 IKEE C=C1CCC(C[C@H](N)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)CC1 1997470765 ZCPLTEPXPMSLJN-OZXSUGGESA-N 428.617 5.294 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)CCCN(C)C(=O)OC(C)(C)C)c1 2002708284 IPLSLCBTAOWCKU-DEOSSOPVSA-N 431.577 5.666 30 10 IKEE N#Cc1cc(F)c(Cl)cc1NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2012481492 LKILDWQWHZDWHT-UHFFFAOYSA-N 435.930 5.234 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@]2(C)CCCN2C(=O)OC(C)(C)C)c1 2020808293 SPLPFXCDOUTWPB-YADARESESA-N 429.561 5.418 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(CCF)CCN(C(=O)OC(C)(C)C)C1 2023662915 YXFVWDHYBITHSG-DHLKQENFSA-N 434.596 5.114 30 10 IKEE C=CCCCCCC[C@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCC 2026013209 VUJBAFDYKZFDCF-RPWUZVMVSA-N 432.649 5.991 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Br)ccc1Cl)NCC 2047968262 QBFQUYHVVQHIQP-SJORKVTESA-N 431.802 5.093 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)C1(C#N)[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2 2048811485 JUHTYSVFWZXOSX-GOTSBHOMSA-N 437.628 5.751 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@@H](C#N)[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2073117293 BRUDWBRRXABFKZ-APWZRJJASA-N 447.551 5.495 30 10 IKEE CC#CCCC[C@@H](NCCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2073676312 LKVAHJMBBBITBB-SQHAQQRYSA-N 442.644 5.392 30 10 IKEE Cc1ccc([C@@H](C2CCC2)n2nc(C3CC3)c(/C=N/O)c2I)c(C)c1 2079030793 AFYIOBZIRRLHGZ-AZHVYHFMSA-N 449.336 5.180 30 10 IKEE O/N=C/c1c(C2CCC2)nn([C@@H](c2ccc(C3CC3)cc2)C2CCC2)c1Br 2079041654 WOQPQDSWWHRIDO-HLQTZPMBSA-N 428.374 5.988 30 10 IKEE CCc1nn([C@@H](c2cc(C)c(C)cc2C)C(C)C)c(I)c1/C=N/O 2079126213 VAHXQMTZRVLMSI-VMHWHBCQSA-N 439.341 5.029 30 10 IKEE Cc1nn([C@@H](c2ccc(C(C)C)cc2)C2CCC2)c(I)c1C=NO 2079882636 ZFXJGKYATLTMSJ-GOSISDBHSA-N 437.325 5.117 30 10 IKEE CCCOc1ccc([C@@H](C2CCC2)n2nc(C(C)(C)C)c(C#N)c2Br)cc1 2080070525 DHEVVJXNPRKATD-LJQANCHMSA-N 430.390 5.993 30 10 IKEE Fc1ccc(C(F)(F)F)cc1-c1c(C(F)(F)F)nn([C@@H]2CCOC2)c1Br 2080875216 GNLNKDICZCKBLQ-MRVPVSSYSA-N 447.148 5.451 30 10 IKEE CCN(c1ccc(C#N)c(Br)c1)[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 2174808743 RJGZNYNEKAJBJU-QFBILLFUSA-N 436.394 5.231 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Cl)cc1)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 2216916812 XPRBYNFIENCPSW-DEOSSOPVSA-N 441.015 5.887 30 10 IKEE C=CCCCCCCC[C@@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)NCC 2220090168 WAMOZFASCKQNHZ-VWLOTQADSA-N 445.692 5.908 30 10 IKEE C=CCC[C@H](C)[C@@H](NC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229122794 HOOPUPGBJHZBBP-ZYSHUDEJSA-N 425.411 5.075 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[C@@]2(C#N)Nc2ccccc2Br)C1 2233748988 GEUVKZLUXLNEPC-ZOCZFRKYSA-N 434.378 5.180 30 10 IKEE C#CCC[C@@H](OCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2261612131 AERFIBWLMUYKGI-XMMPIXPASA-N 430.500 5.400 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C=CC(=O)c2cccc(Cl)c2Br)cc1 2272018287 DEHPVXHDQSOGHT-UHFFFAOYSA-N 436.733 6.346 30 10 IKEE C=CCCC1([C@H](NC)c2c(F)cc(C)cc2Br)CN(C(=O)OC(C)(C)C)C1 2281038915 XOJDSEYFSIZYCN-GOSISDBHSA-N 441.385 5.360 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)c1ccc(NC(=O)OC(C)(C)C)cc1 2296274411 ULFFRMXJVWQABS-HXUWFJFHSA-N 429.358 5.498 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@@H](C#N)c1cc(Cl)c(O)c(Cl)c1 2296280761 CXUKXPASDROURM-INIZCTEOSA-N 427.715 6.359 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1ccc2c(c1)OC(=Cc1cccc(Cl)c1)C2=O 2296867951 IYWSSMMBWIKISM-UHFFFAOYSA-N 436.847 5.193 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3cc(OCc4cc(C)ccc4C)ccc3C1=O)cn2C 2296871316 MZNFHAVAKVNQEW-UHFFFAOYSA-N 439.511 5.999 30 10 IKEE CCCCCCCCOc1ccc(C=C2SC(=Nc3cccc(Cl)c3)NC2=O)cc1 2296882428 UTUOAPGFLFOGNJ-UHFFFAOYSA-N 443.012 6.971 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCCC)c2ccc(OCc3ccccc3)cc2)C1 2314468234 SIXNWLOTLOMGIG-DEOSSOPVSA-N 436.596 5.920 30 10 IKEE CC(=C1SC(=Nc2nnc(C)s2)N(C2CCCCC2)C1=O)c1ccc(C)c(C)c1 2314547239 FEPCKOZNPRDFJV-UHFFFAOYSA-N 426.611 5.790 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CC2)cc1 2320858277 BTXZWBAYSNWRGK-UHFFFAOYSA-N 426.973 5.772 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1cn(C)c4ccccc14)O3)CN(CCCOC(C)C)CO2 2322024049 OWRAGIWZGSNNAG-UHFFFAOYSA-N 446.547 5.070 30 10 IKEE Cc1cccc(OCc2nnc(S)n2N=Cc2ccccc2OCc2ccccc2)c1C 2322052313 XAJZWHZMPKHFLH-UHFFFAOYSA-N 444.560 5.224 30 10 IKEE CCCCC[C@H](CC)N1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(C(C)C)cc1)C3=O 2322075869 SGMNIVIBUALSBX-QHCPKHFHSA-N 447.619 7.245 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCCO)cc1OCCC 2322502862 TYFIRRYTQZJDME-UHFFFAOYSA-N 448.943 5.193 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3ccccc3c2C=CC(=O)c2ccc(C)cc2C)c1 2322572603 KWIYAGVTWAJISP-UHFFFAOYSA-N 449.550 6.679 30 10 IKEE CC(C)(C)n1ncc(NN=Cc2cccc(OCc3cccc(Cl)c3)c2)c(Cl)c1=O 2322601392 NOBBPKITOTYWLE-UHFFFAOYSA-N 445.350 5.330 30 10 IKEE C=C(C)COc1c(C=CC(=O)c2cc(OC)ccc2OC)cc(Br)cc1OC 2322667057 LUFRAIWPBCELRY-UHFFFAOYSA-N 447.325 5.326 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccccc1OCc1cccc2ccccc12 2322952904 CKRATGCGFFUENG-UHFFFAOYSA-N 434.579 7.921 30 10 IKEE CCOc1ccc(CCC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccco2)C3=O)cc1OC 2323098346 YOALOAMKWPLLCQ-UHFFFAOYSA-N 448.471 5.150 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O 2323101774 UFUFLSPLQRBYCO-UHFFFAOYSA-N 439.294 6.148 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OCC(=O)N[C@H](C)c2ccccc2)c1 2323177385 KAHYPZJLKAQANZ-HXUWFJFHSA-N 429.516 5.156 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3c(C)cccc3C)c2)cc1Cl 2323310349 XDYFDYIQECWHHO-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1 2323419636 FRZOVHVTPBQJOM-UHFFFAOYSA-N 425.528 5.787 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(OC)c2)ccc1OCc1cccc(C)c1 2323459073 VQYNJGKUEROEMJ-UHFFFAOYSA-N 432.516 5.886 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3cccc4ccccc34)c(OC)c2)cc1C 2323580167 CLYUBIFLCKNBGC-UHFFFAOYSA-N 438.523 6.641 30 10 IKEE Cc1cc(O)c(CN2C[C@@H](C)C[C@@H](C)C2)c2c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O2 2324054994 AWIBRYLFRZAKOY-OKILXGFUSA-N 446.374 6.102 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OCc1ccccc1 2324091017 MFQPUWKEMNVYJQ-UHFFFAOYSA-N 436.891 5.943 30 10 IKEE C=C(C)COc1c(Cl)cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc1OC 2324219968 SYFFQERAAYIPOU-UHFFFAOYSA-N 428.956 6.506 30 10 IKEE C[C@H](Oc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O)C(=O)Nc1ccccc1Cl 2324388714 QMYGENKKDDVGSC-AWEZNQCLSA-N 437.854 5.501 30 10 IKEE Cc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O 2324406243 WBVQAIHAPOOLRN-MRXNPFEDSA-N 433.891 5.671 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(OCCCOc3ccc(Cl)cc3)c2C)C1=O 2324561338 OVMRXDAMEZMYJP-UHFFFAOYSA-N 440.948 6.482 30 10 IKEE Cc1c(OCC(=O)Nc2ccc3ccccc3c2)ccc2c1OC(=Cc1ccco1)C2=O 2324959901 WQJRAJYEFCYQOD-UHFFFAOYSA-N 425.440 5.375 30 10 IKEE Cc1ccc(CCOc2ccc3c(c2C)OC(=Cc2ccc(Cl)cc2Cl)C3=O)cc1 2325370683 XHFYDIVLKOPXNR-UHFFFAOYSA-N 439.338 6.848 30 10 IKEE COc1ccccc1C(=O)C=Cc1cccc(OC(=O)c2ccc(Br)cc2)c1 2325724716 QHFZVNKVFUVVMR-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3cc(C)ccc3C)c2)cc1F 2325747832 XYUOTVITZLRPPJ-UHFFFAOYSA-N 448.490 5.504 30 10 IKEE Cc1cccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(Oc4ccccc4)cc3)c2)c1 2325754838 DEWSTVTZYSRVSS-UHFFFAOYSA-N 434.491 6.903 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1ccc(C)cc1 2325910074 LUXLFADROUCQFZ-UHFFFAOYSA-N 435.380 5.857 30 10 IKEE Cc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccccc1COc1ccccc1 2326238351 XUEVIEQDVHPLHR-UHFFFAOYSA-N 432.524 5.479 30 10 IKEE CCSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1cccc2ccccc12 2326320959 YHWHTENDYQNJGH-UHFFFAOYSA-N 444.604 6.000 30 10 IKEE CCOc1c(Cl)cc(C=Nn2cnnc2SCc2cccc(F)c2)cc1Cl 2326725935 WZUOGBMXLAAKRL-UHFFFAOYSA-N 425.316 5.297 30 10 IKEE COc1cc(C=Nn2c(CC34CC5CC(CC(C5)C3)C4)nnc2SC)cc(Cl)c1O 2326881316 AAVDMKSFIGGNIS-UHFFFAOYSA-N 447.004 5.009 30 10 IKEE CCCCC1CCC(c2nnc(SCC)n2N=Cc2c(Cl)cccc2Cl)CC1 2328150936 DBMLKRYFKGMDEN-UHFFFAOYSA-N 439.456 7.043 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2)n1N=Cc1c(F)cccc1Cl 2328754356 JWMPVDJLOQWDPS-UHFFFAOYSA-N 432.952 5.467 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3cccs3)n2N=Cc2ccc(O)cc2)c1 2329667352 DKZLJXZAFLMAOY-UHFFFAOYSA-N 448.617 5.622 30 10 IKEE Clc1cccc(CSc2nnc(CCc3cccs3)n2N=Cc2ccc[nH]2)c1 2329687214 NKJMHJNULSMERS-UHFFFAOYSA-N 427.986 5.281 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccccn1 2330129476 QWQZQFHEPZZGJM-KRWDZBQOSA-N 433.968 5.653 30 10 IKEE Oc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2-c2cccs2)c(O)c1 2330600508 USPNKMOAIYOYGX-UHFFFAOYSA-N 442.953 5.246 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3cccc(C)c3)cc2)cc1 2330742329 HHNYIUNTEJECQY-UHFFFAOYSA-N 428.528 6.218 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc(OC)cc(OC)c3)c(OC)c2)cc1 2330769958 JDPJZJYTJRTSGU-UHFFFAOYSA-N 446.499 5.390 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)cc([N+](=O)[O-])c1OC(=O)c1ccccc1 2330793261 XHKYGMGRVIAAAN-UHFFFAOYSA-N 447.443 5.117 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCSC)c(OCC)c2)cc1 2330844815 ZIRMIXPQUPBNJW-UHFFFAOYSA-N 440.605 6.373 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(Cl)cc1 2330873391 NDCADVRWZIBXEA-UHFFFAOYSA-N 433.408 6.348 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OC(=O)c1cccc(F)c1 2331101151 OKMNGEAWSCDBCP-UHFFFAOYSA-N 426.390 5.618 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CC)c(OC)c2)cc1OCCC 2331115457 WUTNVJKGAGRPGC-UHFFFAOYSA-N 426.509 5.484 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)Cc1ccc(F)c(C)c1 2331182779 MKUANRHFHGOZSU-UHFFFAOYSA-N 444.502 5.915 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cccs3)c(OCC)c2)cc1 2331206810 NPZPKVFDITZBLB-UHFFFAOYSA-N 436.529 5.590 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc([N+](=O)[O-])c1OC(=O)CC(C)(C)C 2331229790 KYGMXBULZMHNCB-UHFFFAOYSA-N 439.508 5.848 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OC 2331232616 JJTWDNJHPWWPSY-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)c1cccc(C)c1 2331329021 OTBMCXBCJBILGT-UHFFFAOYSA-N 440.539 6.464 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)c1ccc(F)cc1 2331333834 GRTYAULCSRCGQJ-UHFFFAOYSA-N 438.426 5.406 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 2331659487 MALPFWICRSOOIY-UHFFFAOYSA-N 445.471 5.644 30 10 IKEE C=C(C)CSc1nnc(C(C)C)n1N=Cc1ccc(OCc2ccccc2)c(OC)c1 2331698390 RABGLVWGAWYEHS-UHFFFAOYSA-N 436.581 5.540 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)COc3cc(F)ccc3F)cc2)c(C)c1 2331764195 KCANHLUQSMHYOL-UHFFFAOYSA-N 436.454 5.771 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)c1cnc(C)cn1 2331864119 HDZDTXMXNSNFDA-UHFFFAOYSA-N 443.286 5.216 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H](C)c3ccccc3)cc2)c(OC)c1OC 2331885533 HGCQJYZJECHNLF-GOSISDBHSA-N 446.499 5.318 30 10 IKEE CC(C)C[C@@H](CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339541847 SKXRWCMSKVJHKP-IBGZPJMESA-N 445.413 5.078 30 10 IKEE Cc1cc(Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)ccc1NC(=O)OC(C)(C)C 2364750163 UIPRUNATIHFMID-UHFFFAOYSA-N 449.360 5.257 30 10 IKEE COC(=O)c1ccc(/C=N/c2ccc3oc(-c4cccc(Br)c4)nc3c2)cc1 3079744 RXNMJZFQBSLDQP-ZMOGYAJESA-N 435.277 5.795 30 10 IKEE CCc1ccc(/N=C(\C)c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)cc1 16161371 OCQPBHIFHGOJBS-ZXVVBBHZSA-N 428.557 6.344 30 10 IKEE O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@H](c1ccccc1[N+](=O)[O-])Nc1ccccc1N2 21254743 FQQJTOGKYRPJBR-CPJLOUKISA-N 429.451 5.713 30 10 IKEE O=C(/C=C\C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1)c1ccc(-c2ccccc2)cc1 33395928 KIFCNWJRTXNGKJ-ZXURBSKLSA-N 428.535 7.100 30 10 IKEE O=C(/C=C/c1ccccc1OC(=O)c1ccc(F)cc1)c1ccc(Br)cc1 35343052 XKALSOKOFWQGNM-NTEUORMPSA-N 425.253 5.704 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCc4ccc(Cl)c(Cl)c4)ccc3C2=O)cc1 39754140 IFHSFSQPKYGARI-JJFYIABZSA-N 427.283 6.197 30 10 IKEE C=CCOc1ccc(/C=C2\S/C(=N/c3cccc(C)n3)N(C3CCCCC3)C2=O)cc1 39863666 XXSACHBHWLEJAL-VDQWIUFOSA-N 433.577 5.892 30 10 IKEE C=CCc1ccc(OCCn2c([C@H](C)Oc3ccccc3)nc3ccccc32)c(OC)c1 40236168 CDPJDSXPPTUXQM-FQEVSTJZSA-N 428.532 5.992 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc([N+](=O)[O-])cc1)C3=O)CN(Cc1ccc(F)cc1)CO2 41588179 UHHYMHHETSYSRE-YVNNLAQVSA-N 446.434 5.011 30 10 IKEE Cc1ccc(N/N=C2\C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)cc1 59152379 VRXAYKVTOFSPSE-ROMGYVFFSA-N 434.337 5.163 30 10 IKEE COc1ccc(-c2nc(SC)nc(Nc3cccc4ccccc34)c2C#N)cc1OC 62039810 FMTVENZRQJNFQJ-UHFFFAOYSA-N 428.517 5.651 30 10 IKEE CCCCCCC[C@@](Cc1ccccc1)(Sc1ccccc1)n1nnc2ccccc21 100000773 PQBXYXHIQSPNCU-MHZLTWQESA-N 429.633 7.480 30 10 IKEE CCCCCCCCCCCCCCCCNC(=S)NC(=O)c1ccccc1[N+](=O)[O-] 100067640 ITUFBRYXASGNGQ-UHFFFAOYSA-N 449.661 6.680 30 10 IKEE CCCCCCCCc1c(C)nn(C(=O)c2ccc(NC(=O)C3CCCCC3)cc2)c1C 100458846 BQRICJHAHHJQCG-UHFFFAOYSA-N 437.628 6.610 30 10 IKEE Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)Nc1ccc(C#N)c(Cl)c1 107766633 YWOIZLVARWXGNG-UHFFFAOYSA-N 432.833 5.214 30 10 IKEE COc1c(Br)cc(/C=N/Nc2ccc(C)c(Cl)c2)cc1Br 169879515 JWBUGGDFLMHWAW-UFWORHAWSA-N 432.543 5.628 30 10 IKEE CCOc1c(Br)cc(/C=N/Nc2ccc(C)c(Cl)c2)cc1Br 169879517 HYDPAGWFLOAZNE-AWQFTUOYSA-N 446.570 6.018 30 10 IKEE CCN1C(=S)N[C@H](c2ccc(OCc3ccccc3)cc2)C(C(=O)c2ccccc2)=C1C 169931953 HEKYUFYCXAMTQS-RUZDIDTESA-N 442.584 5.674 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@H]1c1ccccc1OC 169943465 OEUQKOUJSKKKDD-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2cccc(C)c2)cc1 169972392 QLFGWENQUQDLOJ-XMMPIXPASA-N 429.491 5.475 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@@H]2c2ccncc2)cc1 170022110 FFUXIKGASFQPEB-JOCHJYFZSA-N 432.907 5.389 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCCC)c2)[C@@H]1c1ccc(OC)cc1 170116553 OPKGABCIJWDTDT-QHCPKHFHSA-N 437.536 5.253 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C2CCCC2)c1 170121477 VQLFZPRDFHZANQ-HXUWFJFHSA-N 446.330 5.523 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2OC)[C@H]1c1cccc(OC(C)C)c1 170153169 UZCVAVIBMQHWKU-HSZRJFAPSA-N 437.536 5.169 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@@H]1c1cccc(OC(C)C)c1 170153571 GMFXFLDMXRDQOH-NRFANRHFSA-N 443.927 5.124 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccs2)c1 170154178 JTGPBUKWFMVLRF-HXUWFJFHSA-N 439.558 5.375 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccs2)ccc1OC(C)C 170162578 VNKGNOGUZWVJDJ-NRFANRHFSA-N 437.517 5.215 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccs2)cc1C 170164038 DVHDNCJHHLUTAD-NRFANRHFSA-N 425.550 5.285 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccccc2)cc1 170224963 XXKMPKUSSNUCJM-VWLOTQADSA-N 435.479 5.631 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccccc1 170226612 QITCUCTVZYBOHD-JOCHJYFZSA-N 449.890 5.140 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccc(C(C)C)cc1 170245998 CRCMPQYXAQJXQM-BVZFJXPGSA-N 447.575 5.902 30 10 IKEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(C4CCCCC4)[C@H]3c3ccccc3F)ccc2O1 170251735 SCIISRPDDRVJTJ-WNSKOXEYSA-N 435.495 5.060 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1c[nH]c2ccccc12 170255709 MBXWBTRNVAJQRO-LJQANCHMSA-N 429.303 5.463 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@@H]1c1cccc(O)c1 170263438 LSYBZUQKTWQJPB-QHCPKHFHSA-N 437.536 5.293 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(CC)cc2)c1 170266513 KVOGWWCOKQNDBY-RUZDIDTESA-N 447.575 5.949 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccco2)cc1 170290506 DZWLDMLEYIXZEI-OAQYLSRUSA-N 439.414 5.130 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@H]1c1ccc(C)o1 170309828 LACDRGZDLDNZDV-JOCHJYFZSA-N 439.552 5.663 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1F)c1cccs1 170382033 SLLODEJVOSAWDK-GOSISDBHSA-N 447.409 5.689 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cccc(OC(C)=O)c2)cc1 170407963 LQUFPWQQULGJOF-JOCHJYFZSA-N 447.512 5.019 30 10 IKEE CCOC(=O)C1=C(Nc2cccc(C(F)(F)F)c2)S/C(=C\c2ccc(C)cc2O)C1=O 206879483 CAJKNRMPYWDZRW-YVLHZVERSA-N 449.450 5.263 30 10 IKEE C=C(C)COc1ccc(-c2nc3ccc(N)cn3c2CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc1 242690898 CWYFXZSZDOLBBV-DFHRPNOPSA-N 444.623 5.939 30 10 IKEE CCc1ccccc1N=C1S/C(=C/c2ccc3c(c2)OCO3)C(=O)N1C1CCCCC1 252628270 SMEIBFKIOWIDLV-ZQXLJOGCSA-N 434.561 5.914 30 10 IKEE COc1ccc(N=CC2=C(c3cccs3)Oc3ccccc3[C@@H]2c2ccccc2C)cc1 252630930 VFZJJXPBAFCJGD-MHZLTWQESA-N 437.564 7.403 30 10 IKEE CN(N=Cc1cc(-c2ccccc2)c(C(F)(F)F)s1)c1cccc(C(F)(F)F)n1 254578849 XBXANXGAIFFEFH-UHFFFAOYSA-N 429.389 6.318 30 10 IKEE CCOCCN1C(=O)/C(=C/c2ccc(OC)c3ccccc23)SC1=Nc1ccccc1 254622555 AIQYXDWFYMPQRS-CMEWOCMCSA-N 432.545 5.489 30 10 IKEE COc1ccccc1NC(=O)c1c(N=Cc2ccc(N(C)C)cc2)sc2c1CC[C@H](C)C2 254630459 GRBPHZITUAMPKJ-KRWDZBQOSA-N 447.604 5.950 30 10 IKEE Cc1ccc(C=Nn2c(N)c(C(=O)Nc3cc(C)cc(C)c3)c3nc4ccccc4nc32)cc1 254704656 OPASOXSXPQBQJD-UHFFFAOYSA-N 448.530 5.226 30 10 IKEE CCCOc1ccc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526517013 REOBQMVKEAWBJR-XMMPIXPASA-N 444.918 6.058 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526606582 GPIZJBUTEDOXLF-RUZDIDTESA-N 441.506 5.601 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1/N=C\c1ccc(N(CC)CC)cc1 526802664 KKEPFSBORUSKRH-XYGWBWBKSA-N 425.577 5.390 30 10 IKEE Fc1cccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccccc2F)c1 526803697 IKIZTPHUZARNTD-YUMHPJSZSA-N 434.515 5.516 30 10 IKEE COc1ccc(/C=N\n2c(C)nnc2SCc2ccc(Cl)cc2)cc1OC(C)C 526806564 JYOFWTODFRXDMJ-FMCGGJTJSA-N 430.961 5.210 30 10 IKEE CCOc1cc(/C=N\n2cnnc2SCc2cc(C)cc(C)c2)cc(Cl)c1OC 526810104 XIUFVPRZAPQPMJ-MYKKPKGFSA-N 430.961 5.130 30 10 IKEE C=CCN(c1cccc(OC(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586244364 FQQLTPQOIBGLSS-UHFFFAOYSA-N 426.243 5.273 30 10 IKEE N#Cc1cccc(C(=O)N(c2ccc(F)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 586314366 VZTIUNWPBBJHGZ-UHFFFAOYSA-N 449.290 5.040 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 698823837 CIFNFOPVUFJNJP-HJPURHCSSA-N 449.979 5.621 30 10 IKEE C=CC[C@@H](C)[C@@H](NCCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 715785687 BTETVLJCYZJXAD-NSISKUIASA-N 439.438 5.465 30 10 IKEE O=C1/C(=C\c2cc(Cl)ccc2O)SC(=NN=Cc2cccs2)N1Cc1ccco1 1772757874 UXRQJSPKXQFUSA-ZRYNEFLPSA-N 443.937 5.207 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(F)c(C)c2)n(Cc2c(F)cccc2Cl)n1 1862348353 HLINUNZWGUTTCS-UHFFFAOYSA-N 441.909 5.653 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@@H]1c1ccc(O)cc1)c1ccc(F)cc1F 1862411310 DWQLWFAWWDHAFQ-JOCHJYFZSA-N 441.474 5.362 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1cccc(F)c1)c1ccc(F)cc1F 1862414217 VAGQJSWZMNPZFL-OAQYLSRUSA-N 441.380 5.022 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)c(OCCC)c2)[C@H]1c1ccccc1C 1862425957 KIBNIBWCCWTNPD-XMMPIXPASA-N 449.547 5.337 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@H]2c2ccccc2C)cc1 1862475757 UEJAQZVVASCPAP-QHCPKHFHSA-N 431.919 5.735 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862481304 BMKAINQQVOFEIH-NRFANRHFSA-N 446.374 6.460 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(C(F)(F)F)cc1 1862495002 ITNFQGQGEFBZAD-FQEVSTJZSA-N 431.454 5.701 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCc2ccccc2)c1 1862507827 VDIMOXNXPBXQOH-XMMPIXPASA-N 429.491 5.264 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(C(C)C)cc1 1862526357 DUVZKORBKBYDHW-HXUWFJFHSA-N 442.353 5.561 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccccc2C)cc1 1862531707 AXRDSFXNMSRQSC-RUZDIDTESA-N 429.560 6.026 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862533151 GWCXWICBWQFKIJ-DEOSSOPVSA-N 446.547 5.124 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862563102 VPKLTELVTOHJCT-FQEVSTJZSA-N 447.362 5.734 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2cccc(Cl)c2)cc1 1862591758 NACRVVBJMYSKFX-JOCHJYFZSA-N 433.891 5.133 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1cccc2ccccc12 1862592649 HNLYIPQYWYFQPV-WSNNEZGNSA-N 441.527 5.702 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(Cl)cc1 1862618541 VLZRLZPLSHSGJN-OAQYLSRUSA-N 425.956 6.016 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1c(Cl)cccc1Cl 1862622663 HATZXDUKKOFATO-LJQANCHMSA-N 432.347 5.889 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C2CC2)cc1 1862654299 YSNZDHXXPKBTTQ-XMMPIXPASA-N 425.528 5.878 30 10 IKEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccccc1C 1862662742 LSMPEKUMVHEMIH-DEOSSOPVSA-N 434.580 5.039 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(Cl)cc1Cl 1862668393 XZKZQOCDUGVAGN-HXUWFJFHSA-N 430.331 5.881 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2cccc(Cl)c2)cc1 1862688860 CSBGSOLVBLULST-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccccc2Cl)c1 1862701105 WJOAJSMIQKYHEF-ZAOYMGCJSA-N 439.939 5.506 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccccc1 1862721623 HAMCDBNTORVCJN-VWLOTQADSA-N 425.528 5.978 30 10 IKEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@@H]2c2ccccc2C)cc1 1862733333 RCWJXPLRURCTNG-XMMPIXPASA-N 435.564 5.942 30 10 IKEE CSc1cccc(NC2=C(c3ccc(C)c(C)c3)C(=O)N(c3ccccc3C#N)C2=O)c1 1862885051 JZLKSLCNJKNBSP-UHFFFAOYSA-N 439.540 5.294 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccccc2C)=C(c2ccc(C)cc2)C1=O 1863269478 GLVOWVVTCZLLTI-UHFFFAOYSA-N 432.608 6.636 30 10 IKEE CCCCCCCCNC1=C(c2ccc(F)cc2F)C(=O)N(Cc2ccc(F)cc2)C1=O 1863656037 NXERCOWGVFRVAF-UHFFFAOYSA-N 444.497 5.334 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(OC)cc2)C(=O)N(Cc2ccncc2)C1=O 1863665750 ROKONABNNNISAF-UHFFFAOYSA-N 449.595 5.101 30 10 IKEE COc1ccccc1[C@@H]1c2ccccc2CCN1c1cc(Nc2ccccc2C#N)nc(C)n1 1868490772 SBQMSDOUPZUMIF-NDEPHWFRSA-N 447.542 5.561 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2F)c(=O)cc1CN1CCCCC1 1870342305 RFXAQYBRDMNHDR-UHFFFAOYSA-N 428.592 5.913 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2)c(=O)cc1CN1C[C@H](C)O[C@@H](C)C1 1870468049 MOSNCXVMBHSZOF-GOTSBHOMSA-N 440.628 5.397 30 10 IKEE C=CCOc1cn(Cc2ccc(OC)cc2)c(CNc2ccc(CCCC)cc2)cc1=O 1870813492 NBRCLFMGMHXRKZ-UHFFFAOYSA-N 432.564 5.425 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)c(Cl)c2)c(=O)cc1CNc1ccc(Cl)cc1 1870826361 VEUSDKZSCGDXOX-UHFFFAOYSA-N 449.765 6.186 30 10 IKEE C=C(C)COc1ccc2c(=O)c(-c3ccc4c(c3)OCCCO4)c(C(F)(F)F)oc2c1 1871343082 DRSKPDMJFTUNSH-UHFFFAOYSA-N 432.394 5.595 30 10 IKEE CC(=O)Nc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)c1 1871365067 MNSPXLRPINHVKN-MXAYSNPKSA-N 441.483 5.604 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)/C=C/c4ccc(F)cc4)c3C)C2=O)cc1 1871365963 LCUCHBADOGLOSV-XTARUNKESA-N 430.431 5.378 30 10 IKEE O=C(/C=C/c1cccs1)Oc1ccc2c(c1)O/C(=C\c1ccccc1OC(F)F)C2=O 1871381525 YZILXKYCCIEVLA-NKTOACBESA-N 440.423 5.585 30 10 IKEE Cc1cc(OC(=O)c2cc(Cl)ccc2Cl)cc2c1C(=O)/C(=C/c1ccc(F)cc1)O2 1871381614 YJJFJFCQVWXGGL-UKWGHVSLSA-N 443.257 6.276 30 10 IKEE Cc1cc(O)c(CN2C[C@@H](C)C[C@H](C)C2)c2c1C(=O)/C(=C/c1cn(C)c3ccccc13)O2 1871396322 AAUSMVDBEWCWNO-QBLLPBFBSA-N 430.548 5.286 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4)cc(C)c3C2=O)cc1 1871403832 BCEJADLZNGABTQ-XHFXOGKZSA-N 443.499 5.416 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OCCCCOc4ccccc4C)c3C)C2=O)c1 1871404588 KWWDJMWGUJAFOU-ITYLOYPMSA-N 428.528 6.466 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2sccc2C)C3=O)cc1 1871409094 XCHOQKUSFQFKBR-OJSPLJLUSA-N 433.529 5.696 30 10 IKEE CCCC[C@@H](Oc1cc(C)c2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O)C(=O)O 1871423194 OEWKCXAQYRDKET-HPKGMJOESA-N 445.309 5.396 30 10 IKEE CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1C)O/C(=C\c1c(F)cccc1Cl)C2=O 1871433330 MFXWDYJBJMUUDT-BDBXIWDTSA-N 432.875 5.514 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 1871993313 XCBMLKKFOMWVIV-QHCPKHFHSA-N 428.598 5.068 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(OC(C)C)cc3)n2)cc1 1872762902 ZFHOQGFTSMHRQD-HSZRJFAPSA-N 432.589 6.359 30 10 IKEE CCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 1872765051 FWUVRIMDIGKDOH-KRWDZBQOSA-N 427.323 5.461 30 10 IKEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3I)n2)cc1 1872770171 LYUMIVANKGDOIP-HNNXBMFYSA-N 444.297 5.213 30 10 IKEE N#C[C@H](C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(-c2cccs2)cs1 1872774117 HUHOEDWHJTXQPS-GFCCVEGCSA-N 446.397 6.399 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc([N+](=O)[O-])cc3)n2)c(OCC)c1 1872783927 LQIUOMKMLWJHRH-SFHVURJKSA-N 437.477 5.006 30 10 IKEE Cc1cc(C)c(C2=C(Nc3ccc(C#N)cc3)C(=O)N(CCCc3ccccc3)C2=O)c(C)c1 1873333395 RCJLOJUXKFHOFR-UHFFFAOYSA-N 449.554 5.308 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(C(C)=O)cc2)=C(c2ccccc2)C1=O 1873413168 PIKSKSYKYXMRRZ-UHFFFAOYSA-N 446.591 6.222 30 10 IKEE Cc1oc2cc(OCC(=O)Nc3ccc(C#N)cc3)ccc2c(=O)c1-c1ccc(Cl)cc1 1873864457 KPBBGFXLLAUFPZ-UHFFFAOYSA-N 444.874 5.311 30 10 IKEE C=CCSc1nnc(COc2ccc(OCC)cc2)n1/N=C/c1cccc2ccccc12 1874236456 JZWITXQONQDJEW-YZSQISJMSA-N 444.560 5.569 30 10 IKEE Cc1ccc(C)c(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccco2)c1C 1874255898 KBRQSLQALWSBLO-AFUMVMLFSA-N 432.549 5.550 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2ccccc2Cl)n1/N=C/c1cccnc1 1874274523 JNRQQFRFBGYZEN-JVWAILMASA-N 447.995 5.595 30 10 IKEE Cc1ccc(CSc2nnc(CCCOc3ccccc3)n2/N=C/c2cccn2C)cc1 1874315174 FSGICBBNKQNEJJ-NLRVBDNBSA-N 445.592 5.111 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2/N=C/c2ccccn2)cc1 1874351116 VCRIHEBIADIVBF-CVKSISIWSA-N 449.967 5.100 30 10 IKEE CCCOc1ccc(/C=N/n2c(SC)nnc2-c2ccccc2Cl)cc1OCC 1874364959 DBCAYAHAHVQGTI-OEAKJJBVSA-N 430.961 5.390 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(F)c3)n2/N=C/c2cccc(O)c2)cc1 1874387919 LJVIRZPWADJPTG-CVKSISIWSA-N 432.524 5.197 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc4ccccc34)n2/N=C/c2ccc[nH]2)cc1 1874390285 FUSOXODDYLVHAQ-OGLMXYFKSA-N 437.572 5.833 30 10 IKEE C(=N/n1c(SCCc2ccccc2)nnc1-c1cccs1)\c1cccc2ccccc12 1874423092 USJHJWJDENOKGE-NLRVBDNBSA-N 440.597 6.377 30 10 IKEE CCCSc1nnc(-c2cccs2)n1/N=C/c1ccc(OCc2ccccc2C)cc1 1874423903 LAVOJMHCZACHLD-PCLIKHOPSA-N 448.617 6.278 30 10 IKEE Cc1ccsc1/C=N/n1c(SCc2c(F)cccc2Cl)nnc1-c1ccccc1 1874429819 DJNFKMTWNIBSJZ-WYMPLXKRSA-N 442.972 6.282 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874476172 ILKMZPJKOYHIBY-LPYMAVHISA-N 429.933 5.357 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc(F)cc1 1874485648 GUSPFHGLKOOJSN-BHGWPJFGSA-N 437.371 6.196 30 10 IKEE CCCSc1nnc(C(C)C)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874514813 IFZYAHKMGGGDIE-ZVHZXABRSA-N 428.989 6.018 30 10 IKEE CCOc1ccccc1/C=N/n1c(S)nnc1CCCOc1cc(C)c(Cl)c(C)c1 1874571176 ZPVQGZUCUJHPDT-ZVHZXABRSA-N 444.988 5.130 30 10 IKEE CCN(CC)C(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1cc(C)cc(C)c1OC 1874585943 NKZCMEBSVQYWMS-CSKARUKUSA-N 429.944 5.109 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1OCc1nc(O)c2ccccc2n1 1874594332 DOUXONBUPDKONH-UXBLZVDNSA-N 448.425 5.097 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccc(C)cc3)c2)cc1 1874596536 YJSHOUCKAOWAJJ-CXUHLZMHSA-N 429.516 5.697 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccc(F)cc3)c2)cc1 1874597216 AAVKYTIADXYVNT-FRKPEAEDSA-N 431.507 6.037 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(OC)c1OCc1ccc(C)cc1 1874605730 CLSBRGHWZCBHIZ-CCEZHUSRSA-N 428.528 6.216 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OCc1ccccc1Cl 1874616303 SBHMIJSKBYRYTI-JLHYYAGUSA-N 441.354 7.176 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 1874619176 NCRBKGUBHLADEM-VZUCSPMQSA-N 443.326 6.486 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OCc1ccc(C(=O)OC)o1 1874633186 PPGMOBRMHAHYEX-YRNVUSSQSA-N 434.488 5.557 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2ccc(OCc3ccccc3Cl)cc2)cc1Cl 1874637055 GLAGGVKKARTJHI-DHZHZOJOSA-N 447.745 7.131 30 10 IKEE CCCOc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 1874692764 WMWYQQRJAJXWBG-SDNWHVSQSA-N 445.471 5.428 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cccc4ccccc34)c2)cc1 1874695670 NFLIYEKMDVAOQA-LVZFUZTISA-N 434.535 7.298 30 10 IKEE CCC(=O)Oc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)c(Br)cc1OC 1874710394 AEKXLWXSXDLTPL-CMDGGOBGSA-N 445.353 5.903 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1OC(=O)c1cccc(F)c1 1874710939 MVPUBLARYXCDIT-CSKARUKUSA-N 434.463 5.575 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)CSc3ccccc3)c2)cc1Cl 1874716618 AMFOUYUZSKZNAM-ZRDIBKRKSA-N 438.932 5.942 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)ccc1OC(=O)COCc1ccccc1 1875103381 WTTICPCXYLHOKF-FOWTUZBSSA-N 444.527 5.666 30 10 IKEE O=C(Cc1cc(Cl)ccc1Cl)Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1 1875111253 AWPFWVNJYFEOOQ-KPKJPENVSA-N 445.729 6.691 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H]3CCCO3)cc2)cc1OCCC 1875123918 KKKRRPNCGFXMOW-JEAXJQIYSA-N 438.520 5.245 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1 1875135272 IUYWQCMQRUBFJM-VGOFMYFVSA-N 425.311 6.671 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(OCC(C)C)cc2)cc1 1875143949 YTRMUUPFVXENSA-OVCLIPMQSA-N 444.527 6.154 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1OCC 1875149243 GDZVJNHZMNSURE-LDADJPATSA-N 436.592 7.155 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OC(=O)c1cccs1 1875150183 APCYYIFOXZZNON-GQCTYLIASA-N 442.876 5.254 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3ccc(/C=C/C(=O)c4ccc(F)cc4)cc3Cl)c(C)c2c1 1875158360 RHZDCYDXFXUCHX-NYYWCZLTSA-N 447.893 6.693 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccccn3)c(Cl)c2)cc1C(C)C 1875162651 JUEOFQRETMUODY-CSKARUKUSA-N 449.934 6.291 30 10 IKEE CCC(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc1Br 1875180946 GRRNSROBUKKLJL-FNORWQNLSA-N 437.717 5.631 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc(OC)c1OC(=O)COC 1875185498 WCSDLYVAWRZQEU-ACCUITESSA-N 436.548 5.478 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cccs3)c(OC)c2)cc1Cl 1875186107 DQKDTIGZUGDQSD-VMPITWQZSA-N 442.920 5.463 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)C(F)(F)F 1875191335 ZGVFQVPJUYDFDA-XVNBXDOJSA-N 433.209 5.756 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 1875192887 IQYOYGWPHVNUDH-YRNVUSSQSA-N 427.283 6.117 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1880461183 OTFNCFRUZOHUEK-CLOONOSVSA-N 443.588 5.353 30 10 IKEE C=CCSc1cccc([Sn](CCCC)(CCCC)CCCC)n1 1882041107 QGMSIYYTTFMTDV-UHFFFAOYSA-N 440.285 6.416 30 10 IKEE C=C(c1ccccc1)[C@@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 1888711902 NRKIIEZFFDQRAI-LEAFIULHSA-N 449.639 5.237 30 10 IKEE N#Cc1cncc(C2=CCN(C(=O)Cc3cc(Cl)ccc3Oc3ccccc3)CC2)c1 1891433972 YFQFYCDUCLOHSV-UHFFFAOYSA-N 429.907 5.257 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CCC[C@@]2(C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 1918330430 VKZGZDYDCHBSKP-VWLOTQADSA-N 447.620 5.630 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)CC1(C)C 1949560871 LTHVZUFOZRCVBK-XMMPIXPASA-N 435.609 5.628 30 10 IKEE CC[C@@H](C(=O)O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(C#N)c1 1979576181 ZXQJGRKZYGGZQK-CLOONOSVSA-N 440.499 5.249 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)C1(C#N)CCC2(CC1)C[C@@H]2CNC(=O)OC(C)(C)C 1996453849 KGUJMBWNYSGGCN-WZFBRQLOSA-N 435.609 5.247 30 10 IKEE C=C(Cl)C[C@H](NCCC)c1ccc(Br)cc1I 2026219324 WCHKFASPFRVQNN-ZDUSSCGKSA-N 428.539 5.237 30 10 IKEE C=C(COCC)[C@H](NCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071263776 ZJHBLYYHWGPSBG-NDEPHWFRSA-N 431.576 6.088 30 10 IKEE COc1ccc([C@@H](C2CCC2)n2nc(C(F)(F)F)c(C#N)c2Br)cc1C 2080008391 SJLSTQYCAQYCPJ-OAHLLOKOSA-N 428.252 5.243 30 10 IKEE Fc1ccc(C(F)(F)F)c(-c2c(C(F)(F)F)nn(C(F)F)c2Br)c1 2080825725 UYWRJMWZKGFCEU-UHFFFAOYSA-N 427.064 5.884 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)C1CCC(F)(F)CC1 2087489911 BDTYSRNCWDLKID-MRXNPFEDSA-N 429.305 5.908 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CC[C@H]2[C@@H](C1)C2(F)F 2090784341 HAUXFPDMLDPSAM-HDMKZQKVSA-N 427.289 5.518 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1cc(Br)ccc1OC(F)F 2107867772 XYYPCJIEOODMJI-LJQANCHMSA-N 426.301 5.474 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](Nc2cc(Br)ccc2C#N)CC12CCCC2 2194600899 QZFNURNYWGPHQG-KRWDZBQOSA-N 434.378 5.445 30 10 IKEE C#C[C@H](NC(=O)c1cc(NC(=O)OC(C)(C)C)c(C)cc1Br)C1CCCC1 2203847448 GJDMJKJGAWHRAD-KRWDZBQOSA-N 435.362 5.026 30 10 IKEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1sc(C)c(C)c1Br 2221829296 DXPXAQZXUIAAFC-ZBFHGGJFSA-N 429.424 5.085 30 10 IKEE N#Cc1cc(Nc2cc(Br)c(Br)cc2N)ccc1Br 2225694810 ZKBJHSQYCXKSOY-UHFFFAOYSA-N 445.940 5.172 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1CN(Cc2ccccc2)C(C)(C)C1 2235724346 LYVIJVXXJRDWHF-JTHBVZDNSA-N 425.414 5.079 30 10 IKEE C=C1CCC(C[C@H](N)[C@H](Cc2cccc(Br)c2)NC(=O)OC(C)(C)C)CC1 2237400320 WGEVROCBYYXXQA-PMACEKPBSA-N 437.422 5.349 30 10 IKEE CCCN[C@H](C#CC1CCCCC1)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2251420027 SPGCBVYZZRVMBU-RPWUZVMVSA-N 428.617 5.048 30 10 IKEE Cc1cc(O)cc(C)c1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2282825443 MWIJJTLFVKYGFP-SFHVURJKSA-N 431.330 5.778 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(F)cc(Br)c1F 2288348932 KENIMVFQHLLKJV-FUHWJXTLSA-N 447.364 5.628 30 10 IKEE CCOC(=O)C1=C(Nc2ccc(F)cc2)SC(=Cc2cccc(Br)c2)C1=O 2293644683 GEUCTLMLMPOZKC-UHFFFAOYSA-N 448.313 5.132 30 10 IKEE CN1C(=C2SC(=Nc3ccccc3O)N(C3CCCCC3)C2=O)Sc2ccccc21 2295201821 GBILBIULZNPRHV-UHFFFAOYSA-N 437.590 5.699 30 10 IKEE CN[C@@H](C#Cc1cccc(Br)c1)c1ccc(NC(=O)OC(C)(C)C)c(F)c1 2296217684 XHTRZXOVFDHHKD-SFHVURJKSA-N 433.321 5.247 30 10 IKEE Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1 2296592293 IQGMRFWZLVWOJG-UHFFFAOYSA-N 426.877 5.032 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1c(Cl)cccc1Cl)C2=O)c1ccccc1F 2296865972 QGDIUBPZKNDAOA-UHFFFAOYSA-N 429.230 5.968 30 10 IKEE C=CCN1C(=O)C(=Cc2cccc(OCCOc3cc(C)cc(C)c3)c2)SC1=S 2297335661 WKRDWXRLUCRAGL-UHFFFAOYSA-N 425.575 5.148 30 10 IKEE O=C1C(=O)N(c2nccs2)[C@@H](c2cccc(Cl)c2)C1=C(O)c1ccc(Cl)cc1 2297739686 LYVLFACVDGUCBI-INIZCTEOSA-N 431.300 5.076 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 2310843686 FDXXIQDBUNTIMS-RNLGNXJRSA-N 432.564 6.014 30 10 IKEE COc1cccc(C=C2SC(=Nc3cccnc3Cl)N(C3CCCCC3)C2=O)c1 2314540382 OWYQHECDOFGFQI-UHFFFAOYSA-N 427.957 5.680 30 10 IKEE COc1ccc(C=Nn2c(CCCOc3cc(C)c(Cl)c(C)c3)nnc2SC)cc1 2321392304 QAKSLRADUXHBFZ-UHFFFAOYSA-N 444.988 5.173 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCc3ccc(F)cc3Cl)cc(C)c2C1=O 2321862909 ILTYVJFBPOODJS-UHFFFAOYSA-N 438.882 6.381 30 10 IKEE Cc1c2c(cc3c1OC(=CC=Cc1ccccc1)C3=O)CN(CCc1ccc(F)cc1)CO2 2322286823 NDXFQXGGZQFUSS-UHFFFAOYSA-N 441.502 5.701 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccccc2C=CC(=O)c2ccc3ccccc3c2)c1 2322312495 KTZIGJGKWBWJEC-UHFFFAOYSA-N 435.523 6.370 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc(C)cc1 2322595626 SECSQGFYTUDAFA-UHFFFAOYSA-N 433.935 6.124 30 10 IKEE COc1cccc(C=CC(=O)c2cc(Cl)cc(C)c2OC)c1OCc1cccc(C)c1 2322942280 ILEXSFWWUWAJCF-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE C=C(C)COc1c(OC)ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)c1Br 2323045794 QFTJEJKOEVCFDR-UHFFFAOYSA-N 432.270 5.217 30 10 IKEE CCCCCCCCCOc1ccc(C=NNc2nc3ccccc3s2)c(Cl)c1 2323153715 YUODGFZTAZCKKD-UHFFFAOYSA-N 430.017 7.525 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OCC(=O)Nc1ccc(C)cc1C 2323157905 YDXGCHGTQSVFKV-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OCC(=O)NCc3ccco3)c2)cc1C(C)C 2323232162 JKLUGBVDOKKGHO-UHFFFAOYSA-N 447.531 5.311 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)cc(C)c3C2=O)cc1 2323323702 XEVXHEVSMATKMQ-UHFFFAOYSA-N 446.886 5.892 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2)ccc1OCc1ccccc1Cl 2323579657 FRQQIGBHTRPFJT-UHFFFAOYSA-N 436.935 6.531 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)ccc1OCc1c(F)cccc1Cl 2323711038 UMTZYWBXDUTSTI-UHFFFAOYSA-N 440.898 6.362 30 10 IKEE CCOC(=O)c1ccc(COc2c(Cl)cc(C=CC(=O)c3ccccc3)cc2OC)o1 2323802784 MNORNGPVGJOGMB-UHFFFAOYSA-N 440.879 5.593 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1cccc(C)c1 2323895904 IVVCHNOAPGCHCR-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c([N+](=O)[O-])c2)cc1 2324161793 OOHKQYZWQBEZMC-UHFFFAOYSA-N 446.459 6.102 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc(F)c2)c(Br)c1)c1ccc(F)cc1 2324187121 WQDQDTRWDSOBKK-UHFFFAOYSA-N 429.260 6.202 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OCC(=O)NC3CCCCC3)cc2)cc1C(C)C 2324261856 KZRHGFGMZNXOLA-UHFFFAOYSA-N 449.591 5.851 30 10 IKEE CCOc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1OC 2324451469 PKPWNUKXRSYVSD-SFHVURJKSA-N 449.488 5.015 30 10 IKEE COc1cccc(C=C2Oc3cc(OCCOc4cccc(C)c4)ccc3C2=O)c1OC 2324522631 VLTFPEPNGPYTOS-UHFFFAOYSA-N 432.472 5.086 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)ccc1OCc1ccccc1C 2324693477 YYHCSUNKWLPOFH-UHFFFAOYSA-N 438.523 6.641 30 10 IKEE COc1cccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2Cl)c1 2325490334 CKPKOHALNSRSOO-UHFFFAOYSA-N 448.979 5.705 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OCC(=O)Nc3c(F)cccc3F)c2C)C1=O 2325512726 IOBGSBXWSJDRCT-UHFFFAOYSA-N 435.426 5.215 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Br)c2)cc1OC(=O)CCCSC 2325720262 ONNGTLJMMLCVAA-UHFFFAOYSA-N 449.366 5.402 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(-c3ccccc3)cc2)c1)c1ccc([N+](=O)[O-])cc1 2325722123 QAEHPMNGJGSCMS-UHFFFAOYSA-N 449.462 6.377 30 10 IKEE Cc1ccc2oc(=O)cc(COc3ccc4c(c3)OC(=Cc3ccc(F)cc3)C4=O)c2c1 2325741358 CKCODKHBDOIRNQ-UHFFFAOYSA-N 428.415 5.436 30 10 IKEE C=CCSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1ccccc1C 2325913327 BGTGGQMZXCXADX-UHFFFAOYSA-N 433.364 5.633 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccccc1OC 2326075178 NRRFPAXLPJDZSE-UHFFFAOYSA-N 444.988 5.336 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccc(OCC(C)C)cc1 2326306480 YORAPXABIFHJEX-UHFFFAOYSA-N 436.625 6.138 30 10 IKEE CCCOc1ccc(C=Nn2cnnc2SCc2ccc(Br)cc2)cc1 2326606288 DPLKHBCWLDQIOJ-UHFFFAOYSA-N 431.359 5.004 30 10 IKEE CCCOc1ccccc1C=Nn1cnnc1SCc1ccc(Br)cc1 2326606520 MXVPSLYLUVXRKX-UHFFFAOYSA-N 431.359 5.004 30 10 IKEE CCCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1c(F)cccc1Cl 2327026536 YJJHRDGLRJMHHO-UHFFFAOYSA-N 446.979 5.775 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2cccc(F)c2)n1N=Cc1cccn1C 2328553127 DZZNVBUWOVZCOV-UHFFFAOYSA-N 449.555 5.126 30 10 IKEE C=CCSc1nnc(COc2cccc(C)c2C)n1N=Cc1ccc(OCCC)cc1 2328857445 SWINJPFXBGUFOI-UHFFFAOYSA-N 436.581 5.423 30 10 IKEE Fc1ccc(CSc2nnc(Cc3ccc(F)cc3)n2N=Cc2cccc(F)c2)cc1 2329808132 CHCSFHSFDBXLJQ-UHFFFAOYSA-N 438.478 5.461 30 10 IKEE Cc1ccc(CSc2nnc(-c3cccs3)n2N=Cc2c(F)cccc2Cl)cc1 2330531101 AVBFAIFCIYWBCZ-UHFFFAOYSA-N 442.972 6.282 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4ccccc4c3)cc2)cc1 2330653832 PGJHCLMVCBCOSD-UHFFFAOYSA-N 436.463 5.880 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OC(=O)c1cccnc1 2330680208 BIHGBXILBHYEBP-UHFFFAOYSA-N 443.499 5.093 30 10 IKEE Cc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)CCCC4)cc2Cl)c1 2330683653 FYLLPHCJVGBUTN-UHFFFAOYSA-N 430.931 6.643 30 10 IKEE CCCOC(=O)CSc1nnc(-c2ccccc2)n1N=Cc1ccc(C(C)(C)C)cc1 2330705965 ZVCVSHQEOKJKQN-UHFFFAOYSA-N 436.581 5.170 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)[C@H](C)c3ccccc3)c(OC)c2)cc1 2330742733 HIJPKFJWZGHXBF-LJQANCHMSA-N 444.527 5.871 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)CSc3ccccc3)c([N+](=O)[O-])c2)cc1 2330750023 GZMOQTNMKYUERT-UHFFFAOYSA-N 447.512 5.751 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(CC(C)(C)C)n2N=Cc2cccs2)cc1C 2330807495 QIFDGDOZFOMBNT-UHFFFAOYSA-N 441.626 5.158 30 10 IKEE Clc1ccc(CSc2nnc([C@H]3CCCO3)n2N=Cc2cccs2)cc1Cl 2330996106 JJWOHKMGPHIBML-MRXNPFEDSA-N 439.393 5.672 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3F)cc2)c(OC)c1 2331084251 IURSDJLWRKOTOB-UHFFFAOYSA-N 438.426 5.026 30 10 IKEE Fc1ccccc1C=Nn1c(SCc2ccc(Cl)cc2Cl)nnc1C(F)(F)F 2331156040 CCHMXFFCOPZJEM-UHFFFAOYSA-N 449.260 5.917 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)Cc1ccccc1[N+](=O)[O-] 2331179162 LJQNCWQCAQTKKW-UHFFFAOYSA-N 431.444 5.038 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)c1ccc(C)c(C)c1 2331214842 PWNOYVAJXSOXRF-UHFFFAOYSA-N 448.946 6.698 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)CSc1ccccc1 2331260649 VSQASAPAPASHNE-UHFFFAOYSA-N 448.540 5.606 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)Cc1ccc(Cl)cc1 2331348903 ZLIWQEPMXPBVIR-UHFFFAOYSA-N 438.882 5.840 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C(C)(C)C)c1 2331417320 FRRGPKJXHHRRNZ-UHFFFAOYSA-N 432.952 5.557 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccn3)cc2)cc1 2331541816 ZTKNRUTUWXILOC-UHFFFAOYSA-N 443.543 6.546 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1[N+](=O)[O-] 2331618081 AEYYIFSQOZHMHX-UHFFFAOYSA-N 439.508 5.992 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)ccc1OC(=O)C1CCC1 2331639532 NVCIPBUCCPQXEC-UHFFFAOYSA-N 449.330 6.002 30 10 IKEE CC(C)[C@@H](CCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339602076 FTLFRDXBIMRYNC-LJQANCHMSA-N 446.397 5.044 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)cc(COC)c1 2362290643 LFUYRTOEOBOQAH-RBUKOAKNSA-N 441.410 5.106 30 10 IKEE O=[N+]([O-])c1cc(/C=N/c2ccc3oc(-c4cccc(Cl)c4)nc3c2)c(O)c([N+](=O)[O-])c1 3144741 DIDHTVRLJXPKDA-LSHDLFTRSA-N 438.783 5.421 30 10 IKEE CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 9861142 AUCKOSJKLBGHCU-JOCHJYFZSA-N 435.955 5.286 30 10 IKEE Cc1c(Cl)cccc1N/C(S)=C(/C(=O)c1ccc(OC(F)F)cc1)[n+]1ccccc1 20834545 ORVLVAGPFSIUEJ-UHFFFAOYSA-O 447.914 5.588 30 10 IKEE CC(C)COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2OC(C)C)cc1 21248324 AJEWIEKQBJMGFL-NZQKXSOJSA-N 447.575 5.513 30 10 IKEE CN(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(F)c2)cc1 21254138 FABYKDNOCWVEQO-PPHZAIPVSA-N 427.523 5.871 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(CC)cc2)C3)cc1OC 21255451 HZRVCPUDUCIBPF-SFTDATJTSA-N 433.548 5.051 30 10 IKEE CC(C)(C)c1cc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)n(-c2ccc(C#N)cc2)n1 23427912 DHVUJVNSUCACCM-UHFFFAOYSA-N 430.405 5.452 30 10 IKEE CCOC(=O)c1[nH]c(C)c(C(=O)/C=C\c2ccc(OCc3ccccc3)c(OC)c2)c1C 33523964 VZZLUUSEURTYAA-QBFSEMIESA-N 433.504 5.292 30 10 IKEE O=C(/C=C/NNc1ccc(Cc2ccc(Cl)cc2Cl)nn1)/C=C/c1cccs1 38168196 VVLVYQFUFRTZEL-AVQMFFATSA-N 431.348 5.148 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(Cc1ccc(C)cc1)C3 41646381 KPVSATAXTAWWDI-QFEZKATASA-N 441.527 5.670 30 10 IKEE CC(/C=C1\S/C(=N/N=C\c2cccs2)N(Cc2ccco2)C1=O)=C\c1ccccc1 47138061 TWXLBPYDFKOZOC-NUQQURFKSA-N 433.558 5.794 30 10 IKEE Cc1ccccc1/C=N\N=C1\S/C(=C\C=C\c2ccccc2)C(=O)N1Cc1ccco1 47138650 DPYAJECKBJBKRU-QLGGYIGGSA-N 427.529 5.651 30 10 IKEE CC1=NN(/C(=N/c2nnc(C)s2)N2CCc3ccccc3C2)[C@@H](c2ccc(C)cc2)S1 96557022 MRYZLGGBZOLKEJ-VANSDEMISA-N 448.621 5.282 30 10 IKEE CCCCCCCCCCOc1ccc(/C=C2\N[C@@H](c3ccc(Cl)cc3)OC2=O)cc1 100167661 QMSCVJKPRCHJJC-RLDXSPPBSA-N 441.999 7.046 30 10 IKEE CCCCCCCC[C@H](NCCC)c1cc(Br)c(Br)s1 128262999 HHNMFOIWDYMRTG-AWEZNQCLSA-N 425.274 7.064 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)CCc2ccccc2)=C(O)C(=O)N1c1ccc(C)c(C)c1 169943389 CWUCWSGGRQUCSB-SANMLTNESA-N 441.527 5.414 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2C)[C@@H]1c1cccnc1 170005606 DFEZJYNNOAMDLT-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OCC)c3)[C@H]2c2ccccc2)c1 170047394 WAYCKURBVRUBOJ-DEOSSOPVSA-N 443.499 5.267 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)ccc4[nH]3)[C@H]2c2ccc(C)o2)cc1 170103559 ARBUTLYHVLLMNX-QFIPXVFZSA-N 441.487 5.118 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(O)cc1)c1cc2cc(Cl)ccc2o1 170132884 KHYKUWICBSGXPF-QFIPXVFZSA-N 445.858 5.575 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(Cl)cc3C)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170172236 QHEMCYYBUNLSHI-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2cccnc2)cc1 170188558 JPVIALULECTADF-QFIPXVFZSA-N 448.906 5.307 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1ccncc1 170201638 LQLKCKXFRYICBV-HSZRJFAPSA-N 442.515 5.176 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccc2)cc1C 170228891 LPZLIXRBUKMCIL-XMMPIXPASA-N 427.500 5.485 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(F)cc2)cc1C 170238414 MWOCPQPSXYILTG-HSZRJFAPSA-N 449.453 5.373 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(C(C)C)cc1 170245527 AGRMRWQUIBKWHD-FQEVSTJZSA-N 442.353 5.561 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1c[nH]c2ccccc12 170255725 YBUBXEABVDSVJR-QHCPKHFHSA-N 432.520 5.191 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccco2)cc1Cl 170288313 KYNHCCUTYDIRRY-QHCPKHFHSA-N 443.886 6.178 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(C)o2)cc1C 170308328 JLOVXLLMZQUHQY-QHCPKHFHSA-N 437.536 5.596 30 10 IKEE CCc1ccccc1N=C1S/C(=C/c2sccc2C)C(=O)N1c1ccccc1CC 252611293 IISNDDMLSLRENI-MPVWDOOLSA-N 432.614 6.990 30 10 IKEE COc1cc(/C=C2\SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc(OC)c1O 254407333 ILJZTQJFNMSQKP-AQAUNXFGSA-N 432.501 5.218 30 10 IKEE Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1C1CC1 254607988 ZKQOYYSKIQLWCJ-JOCHJYFZSA-N 443.572 5.579 30 10 IKEE CCCCCCCNc1nc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cs1 257657174 VDSBCKHQOWYTCC-UHFFFAOYSA-N 435.659 5.757 30 10 IKEE CCCCOc1ccc([C@@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526489732 CEOIYJBQCWDSFB-AREMUKBSSA-N 438.527 6.103 30 10 IKEE CC(C)COc1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526607385 PUIHWNUQOTUCMV-VWLOTQADSA-N 442.490 5.789 30 10 IKEE CCOc1ccc(/C=N\n2c(CC)nnc2SCc2cc(C)cc(C)c2)cc1Cl 526809703 LNOFSQMRASTWAV-CFRMEGHHSA-N 428.989 5.684 30 10 IKEE COc1c(Cl)cc(/C=N\n2c(C)nnc2SCc2ccc(C)cc2C)cc1Cl 526810977 WUGOFQGNGJURDK-RMORIDSASA-N 435.380 5.693 30 10 IKEE C[C@H]1CCCC[C@H]1N(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(Br)cc1 586127007 VYDAOBWLPJDUIP-HRAATJIYSA-N 447.398 5.090 30 10 IKEE C#CCCCCC[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NC 686827384 XGAWHMCIPIGCSB-XMMPIXPASA-N 441.660 5.108 30 10 IKEE Cc1ccc(C#N)c([C@](C)(CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 687753676 ZXEPQCHRTAFOCQ-MHZLTWQESA-N 440.499 5.095 30 10 IKEE CCCN(C(=O)OC(C)(C)C)[C@H](C#N)c1ccc(Br)c(Br)c1 698961592 COZZCUVOWAGDCH-CQSZACIVSA-N 432.156 5.423 30 10 IKEE CCCCCCC[C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 707832881 CDJPKAPCJKEIAF-YFNKSVMNSA-N 434.665 6.214 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)C1CCCCC1)C2 709341607 VAUVLZAPJJFISE-KDLAUNOPSA-N 433.593 5.238 30 10 IKEE CCOC(=O)[C@]1(C#N)C(=O)/C(=C\c2ccccc2Cl)SC1=Nc1ccccc1Cl 1088693677 TXAVTQDSSMPLNW-KMHFMZOPSA-N 445.327 5.453 30 10 IKEE CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=Nc1cccnc1 1772731537 NJOYYWFOBWNWQH-WEYXMBDUSA-N 430.316 5.882 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=Nc1ccccn1 1772731555 NSKRMJINOBNDSP-JLFKZYKSSA-N 444.343 6.272 30 10 IKEE CN(C)c1ccc(/C=C2/SC(=Nc3cccc(C(=O)O)c3)N(C3CCCCC3)C2=O)cc1 1772733848 CTUPRIGJQDVAQJ-XKEFNESHSA-N 449.576 5.388 30 10 IKEE COC(=O)c1ccc(/C=C2\SC(=Nc3nc(C)cs3)N(C3CCCCC3)C2=O)cc1 1772734947 DYHFBWMRYQDLFS-IWNQXXOGSA-N 441.578 5.175 30 10 IKEE COc1ccc(CCn2c(O)c(N=Nc3ccc4ccccc4c3)c(C)c(C#N)c2=O)cc1 1772740911 MTDQQLKEAQKZRX-UHFFFAOYSA-N 438.487 5.554 30 10 IKEE COc1cc2cc(C#N)c(SCC(=O)Nc3cc(Cl)ccc3Cl)nc2cc1OC 1858204836 UOJHXKSGVZBEMZ-UHFFFAOYSA-N 448.331 5.161 30 10 IKEE C=CCN(C(=O)c1ccc(OCc2ccccc2)cc1)[C@H]1CCN(Cc2ccccc2)C1 1860030261 ITBWXUOJTRVVEN-SANMLTNESA-N 426.560 5.168 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2C2CCCC2)c1 1862404326 AKJSTPLHBQBBMM-DEOSSOPVSA-N 449.547 5.313 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc2ccccc12 1862435512 XMNGEOZVGJTWLY-JOCHJYFZSA-N 435.907 5.108 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccccc1Cl 1862446559 VNJQSVYRYIZWIH-HXUWFJFHSA-N 448.346 5.387 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2cccc(Cl)c2)cc1 1862476267 HICWAKIMHZEAOP-QHCPKHFHSA-N 431.919 5.735 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1c(F)cccc1Cl 1862493982 CCXWTDIJTHBVTM-NRFANRHFSA-N 445.918 5.101 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(Cl)cc1Cl 1862552707 CDGSQEWJLMPMPM-HXUWFJFHSA-N 430.331 5.470 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)c1 1862559180 JEAROPKJZJDSLI-OSPHWJPCSA-N 442.515 5.007 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 1862620303 PHNJFEPYJFVPAT-QHCPKHFHSA-N 431.576 6.022 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(Br)cc1 1862624879 RTMURZNFGVCUFS-LJQANCHMSA-N 442.353 5.345 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccccc2Br)cc1 1862669947 IULYFOXMCWBPLB-HXUWFJFHSA-N 442.353 5.559 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(Cl)c(Cl)c1 1862716197 AHUZQPFFIFALRG-OAQYLSRUSA-N 440.326 6.133 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 1862741244 NUVPKBORXUOMPS-NRFANRHFSA-N 448.862 5.027 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cc(Cl)cc(Cl)c1 1862759996 CYUUAPASEJKCEV-BBATYDOGSA-N 449.290 5.278 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1C 1862870261 GBSCZAPDMXHULJ-UHFFFAOYSA-N 441.918 5.534 30 10 IKEE N#Cc1ccccc1NC1=C(c2cccc3ccccc23)C(=O)N(CCC2=CCCCC2)C1=O 1863230898 PLQAXEXYRWBGGU-UHFFFAOYSA-N 447.538 5.794 30 10 IKEE CCCCCCCCNC1=C(c2ccc(OCCC)cc2)C(=O)N(C2CCCC2)C1=O 1863680408 WKBSUCKQTXLHCO-UHFFFAOYSA-N 426.601 5.448 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)c2c[nH]c3ccc(C(C)C)cc3c2=O)c1 1866422138 CDGAYIVEFVJGBK-UHFFFAOYSA-N 449.510 5.315 30 10 IKEE CCCc1nc(Nc2cccc(C#N)c2)cc(N(Cc2cccnc2)c2cccc(C)c2)n1 1868377791 BHKKGEPAGXDBTF-UHFFFAOYSA-N 434.547 6.086 30 10 IKEE C=CCn1cc(OCC(=O)OCCCCCC)c(=O)cc1CNc1ccc(Cl)cc1C 1870840253 UYHFDOCESIUMMC-UHFFFAOYSA-N 446.975 5.111 30 10 IKEE CCCCCCCCn1cc(OCC(C)C)c(=O)cc1CNc1ccc(NC(C)=O)cc1 1870858121 VCBWHHINXNWTQY-UHFFFAOYSA-N 441.616 5.814 30 10 IKEE Cc1cccc(Cn2cc(OCc3ccc(C#N)cc3)c(=O)cc2CNc2ccccc2C)c1 1871250685 RCMRMTXBKMKUPY-UHFFFAOYSA-N 449.554 5.576 30 10 IKEE CCCCCCCCCCn1cc(OCCCO)c(=O)cc1CNc1cccc(C)c1 1871265038 HHFOULSVALIAJZ-UHFFFAOYSA-N 428.617 5.671 30 10 IKEE CCCCCCCCCCN=c1nc2c(cnn2C)c(Nc2ccc(OC)c(OC)c2)[nH]1 1871298815 JKWGJNSOZKXJMC-UHFFFAOYSA-N 440.592 5.099 30 10 IKEE CCCCCCCCCCN=c1[nH]c(Nc2ccc(CC)c([N+](=O)[O-])c2)ncc1[N+](=O)[O-] 1871306358 KVOUGEJRJWCJKZ-UHFFFAOYSA-N 444.536 5.574 30 10 IKEE CCCCCN1COc2c(cc3c(c2C)O/C(=C\c2ccc(Cl)c(Cl)c2)C3=O)C1 1871352569 QKGYIWJZGRIKKE-JMIUGGIZSA-N 432.347 6.260 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OC(=O)c3cc4ccccc4oc3=O)c2C)C1=O 1871379036 HDXMEJSMGSALFT-UCQKPKSFSA-N 438.435 5.245 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(OCC(C)C)cc4)c3C)C2=O)o1 1871383822 UHNOHSIMKGVBHH-QRVIBDJDSA-N 432.472 5.767 30 10 IKEE CCCCOc1ccc2c(c1)O/C(=C\c1cc(Br)cc3c1OCOC3)C2=O 1871398293 NHNGXLTWAGBVIS-OCKHKDLRSA-N 431.282 5.111 30 10 IKEE Cc1c(O[C@@H](C)C(=O)OC(C)C)ccc2c1O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 1871401009 RHWUBIUZNBDXIK-LIAPLOTISA-N 442.511 5.997 30 10 IKEE Cc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccc(F)cc1)C2=O 1871409898 VACWBDMQWKIURK-PGECNJAHSA-N 431.463 5.465 30 10 IKEE CC(C)c1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 1871456238 UBDYAIYEXSVEPT-MPYFKCLBSA-N 439.511 6.000 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc(C)c4C)cc(C)c3C2=O)cc1 1871459540 QLULCJVDKPODFU-CFRMEGHHSA-N 443.499 5.254 30 10 IKEE CC(C)(C)c1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4)ccc3C2=O)cc1 1871459807 FDTZCNRQVXZRMC-IWIPYMOSSA-N 427.500 5.618 30 10 IKEE C=CCN([C@H](C(=O)Nc1cc(C)cc(C)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1871996854 HGTGBDSHVCMHQA-CYFREDJKSA-N 442.625 5.150 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)CCCC 1872427640 USTZYYDCDJGCLP-FQEVSTJZSA-N 429.026 5.010 30 10 IKEE N#C[C@H](C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872762743 VQMQCZLYQQUHBF-ILNGBFOMSA-N 444.299 5.915 30 10 IKEE COc1ccccc1-c1csc([C@H](C#N)C(=O)/C(=C\c2ccccc2)c2ccccc2)n1 1872763367 KLTMDZUZLXKBQZ-YTMAHBJJSA-N 436.536 6.236 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)Cc3cc(Cl)ccc3Cl)n2)cc1 1872768677 ZEFXSKCXEXTEIT-QGZVFWFLSA-N 431.344 5.935 30 10 IKEE CCOc1ccc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(F)c(C)c3)cs2)cc1OC 1872773372 ZRZZXXCACKVKAQ-SFHVURJKSA-N 438.524 5.474 30 10 IKEE N#C[C@@H](C(=O)c1ccc(Cl)c(Cl)c1)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872774204 KAQCNEYSULUICL-ZDUSSCGKSA-N 431.300 5.378 30 10 IKEE N#C[C@H](C(=O)Cc1ccc(Br)cc1)c1nc(-c2cccc3ccccc23)cs1 1872775626 VXBODIUGVSGPLA-HXUWFJFHSA-N 447.357 6.145 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2OC)=C(c2cc(F)cc(F)c2)C1=O 1873317823 AUWKPCGAPPNRSD-UHFFFAOYSA-N 442.506 5.526 30 10 IKEE CN(Cc1ccccc1)c1nc(Nc2ccccc2C#N)c2cnn(-c3ccccc3)c2n1 1873482350 SWLBUJSUXCLQML-UHFFFAOYSA-N 431.503 5.067 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccccc1CC)n2CC 1873629155 OJYVJPHFRSJABD-UHFFFAOYSA-N 449.643 6.819 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1ccc(N(C)C)cc1 1874249480 AFLXQCKSKHAUBD-XIEYBQDHSA-N 437.613 5.048 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874287397 CLMWCJMLJUNZBO-XQNSMLJCSA-N 427.574 5.811 30 10 IKEE CCSc1nnc(COc2ccc(OC)cc2)n1/N=C/c1c(Cl)cccc1Cl 1874292572 KWRIFVDCDYBGMC-SSDVNMTOSA-N 437.352 5.167 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccc(Cl)cc3)n2/N=C/c2ccccn2)c1 1874342845 LJBAGYOBGSLDKL-JFLMPSFJSA-N 447.995 5.709 30 10 IKEE CCCSc1nnc(COCc2ccccc2)n1/N=C/c1c(Cl)cccc1Cl 1874354922 IRBKASGLKFKXOE-FSJBWODESA-N 435.380 5.686 30 10 IKEE COc1cccc(/C=N/n2c(SCc3cccc(F)c3)nnc2[C@H](C)c2ccccc2)c1 1874393000 AONMKBLOTIGNOD-AXNZHVIBSA-N 446.551 5.752 30 10 IKEE COc1cccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2cccc(C)c2)c1O 1874415932 OLDQZLFGCVGDFF-WGOQTCKBSA-N 444.560 5.066 30 10 IKEE CCOc1cc(/C=N/n2c(SCc3ccccc3C)nnc2-c2ccccc2)ccc1O 1874425887 GBIRSZYXILAKDM-WGOQTCKBSA-N 444.560 5.532 30 10 IKEE CC(C)c1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCC(=O)Nc2ccccc2)cc1 1874436816 RUNYNNDVVCJXJX-WGOQTCKBSA-N 449.624 5.603 30 10 IKEE COc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2cccc(Cl)c2)c1O 1874440421 AAZPTDDFQVYHCY-ZMOGYAJESA-N 444.988 5.409 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CCCC2)cc1 1874455895 PDWGPVCLUCWTCN-ZVHZXABRSA-N 426.973 5.772 30 10 IKEE C=C(C)CSc1nnc(CCCC)n1/N=C/c1ccc(OCCCC)c(OCC)c1 1874476803 YLXRREXVBBIZFF-LFVJCYFKSA-N 430.618 5.749 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccccc2C)n1/N=C/c1ccc(CC)cc1 1874478416 YZJONTMBHABEQU-PCLIKHOPSA-N 435.597 5.105 30 10 IKEE CCc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2c(Cl)cccc2Cl)cc1 1874490253 HBSNAKHCQWLVTL-DHRITJCHSA-N 447.435 6.520 30 10 IKEE C=CCSc1nnc(CC)n1/N=C/c1ccc(OCc2ccccc2C)c(OCC)c1 1874525686 APRJDQBHMYCPBN-PCLIKHOPSA-N 436.581 5.287 30 10 IKEE Cc1ccccc1COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(Cl)c(Cl)c1 1874578860 KKWQTNGDVUNFCP-WYMLVPIESA-N 447.361 7.930 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Br)ccc2OCc2ccccc2)cc1F 1874582198 BPANUAIVWLZRGU-JXMROGBWSA-N 441.296 6.072 30 10 IKEE O=C(/C=C/c1cc(Br)ccc1OCc1ccc(F)cc1)c1ccc(F)c(F)c1 1874584889 GNZAKPMKGFKFDH-RUDMXATFSA-N 447.250 6.342 30 10 IKEE Cc1ccc(NC(=O)COc2cccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)c2)c(C)c1 1874594273 BBBLRRPGQAZBFK-NTUHNPAUSA-N 430.460 5.125 30 10 IKEE CCCOc1c(Br)cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1OCC 1874604414 LMIYNEKGIYRHRQ-VQHVLOKHSA-N 449.341 5.550 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(OC)c1OCc1cccc(F)c1 1874605699 BCUWECSQCBSMOJ-OUKQBFOZSA-N 432.491 6.047 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 1874616032 HJVDGLBPTKUMKV-MDWZMJQESA-N 433.460 5.396 30 10 IKEE C=C(C)COc1ccc(/C=C/C(=O)c2ccc(OCCCCCCC)cc2)cc1OCC 1874624849 YGMXOJPDSPJADB-GZTJUZNOSA-N 436.592 7.286 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1C 1874636736 PYNVKLOZBXZGAC-PKNBQFBNSA-N 449.934 5.879 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)c2)cc1 1874693635 PEGHGOIPKVDKFA-WOJGMQOQSA-N 438.567 6.978 30 10 IKEE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2cccc(/C=C/C(=O)c3cccc(Cl)c3)c2)cc1 1874699266 MQNGKSCZQQVATH-XATQLNLPSA-N 448.946 6.732 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2ccccc2)cc1OC(=O)c1cccs1 1874700144 DEOWSDSRWGYPIU-MDZDMXLPSA-N 443.318 5.635 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OC(=O)c1ccc(C(C)(C)C)cc1 1874703843 KFFKWKISXFMHRV-MKMNVTDBSA-N 446.518 6.556 30 10 IKEE CCC(=O)Oc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)c(Br)cc1OC 1874707978 GNCBXNHRGREYFT-ZHACJKMWSA-N 431.326 5.793 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OC(=O)c1cccc([N+](=O)[O-])c1 1874716602 ZZKNHKRLYMVKSY-CSKARUKUSA-N 445.471 5.644 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cccc(F)c3)c2)cc1Cl 1874716778 JMXJWQDJKCERSX-RMKNXTFCSA-N 440.854 5.612 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccccc3C)c2)cc1Cl 1874717004 UKGNUOBURXRFKC-DHZHZOJOSA-N 436.891 5.781 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(Cl)c1OC(=O)c1ccco1 1875094773 IDFGBXMBVVMXTB-DHZHZOJOSA-N 432.859 6.210 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H]3C[C@H]3c3ccccc3Cl)cc2)cc1 1875099835 BCLCSOSLUMRTSD-CCRYGVNXSA-N 430.931 6.508 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1cccc(F)c1 1875116148 NPATWKUKEFVSHT-WUXMJOGZSA-N 435.407 5.248 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc([N+](=O)[O-])c1OC(=O)c1ccccc1 1875134912 QIGVQDZZIDWYLH-ACCUITESSA-N 445.471 5.726 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)[C@@H](C)c1ccccc1 1875152365 KXPMTUGJMHNESO-YRYLYKBFSA-N 430.456 5.029 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)COc2ccc(C)c(C)c2)cc1 1875169577 OCQACAUJVGEBAN-UKTHLTGXSA-N 444.527 5.809 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2ccc(OC(=O)c3ccco3)c(Cl)c2)cc1Cl 1875174167 CTTWRJLVXRQPKP-FNORWQNLSA-N 447.270 5.719 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](O)c1cc(Br)ccc1Cl 1922056442 XURORVPJADCTSW-NHCUHLMSSA-N 438.793 5.277 30 10 IKEE CC1(C)CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCC2)[C@@H](CNC(=O)OC(C)(C)C)C1 1927164754 IZDSCDGGLWXVLH-OSPHWJPCSA-N 435.609 5.389 30 10 IKEE C=C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C1CC1)[C@H](CC(C)C)C(=O)O 1927550289 KESGPCQUBBCPLH-SQHAQQRYSA-N 433.548 5.607 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@]1(C#N)CCN(Cc2ccccc2)C2(CC2)C1 1997673810 MGSWFHSQMVBPIK-VWLOTQADSA-N 437.609 5.576 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(C)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2022145007 OSUZEKYBQBJZLP-BKMJKUGQSA-N 430.633 5.553 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CC[C@@H](CCNC(=O)OC(C)(C)C)C2)cc1 2037233694 VGPZMOONJSVDEN-DFBJGRDBSA-N 443.588 5.714 30 10 IKEE COc1ccc(C=Cc2cc(-c3cccc(F)c3)n3c(nc4ccccc43)c2C#N)cc1O 2040461186 COPYYWXEMCVZRM-UHFFFAOYSA-N 435.458 6.050 30 10 IKEE COc1ccc(N(C(C)=O)c2nc(C=CC(=O)c3ccc(Cl)cc3Cl)cs2)cc1 2040483863 LHVOLNHFJWJWRS-UHFFFAOYSA-N 447.343 6.039 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1(C)C 2053042341 APWUDCNZUFMFCD-GYCJOSAFSA-N 447.551 5.400 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCN(C(=O)OC(C)(C)C)C[C@H]2C)c1 2070602308 FQEJURZQWIJHKQ-KBMIEXCESA-N 443.588 5.666 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@H](C#N)[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2073118911 ONYYCMFHTBSZNV-QFBILLFUSA-N 447.551 5.495 30 10 IKEE Cc1ccc([C@H](C(C)C)n2nc(C(F)F)c(C#N)c2I)cc1C 2079015522 VYKPKCPCEQFVPT-HNNXBMFYSA-N 429.252 5.159 30 10 IKEE Cc1ccc([C@@H](n2nc(C(F)(F)F)c(/C=N/O)c2Br)C(C)(C)C)c(F)c1 2079126657 BNMUWUQARDXGSI-VKKHMPROSA-N 436.247 5.556 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(Cc2ccccc2)C(C)(C)C1 2079261816 DGZYPZNQOXLEFL-HHHXNRCGSA-N 433.596 6.074 30 10 IKEE CCCc1ccc([C@@H](C2CC2)n2nc(C(C)(C)C)c(C#N)c2I)cc1 2079880787 HHPQXYWYFFLFEH-SFHVURJKSA-N 447.364 5.609 30 10 IKEE C=CCC[C@H](C)[C@H](NC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2102110465 GMTVKXBJOOPIGI-IPELMVKDSA-N 425.411 5.075 30 10 IKEE CN(Cc1ccc(CNc2ccc(Br)cc2C#N)cc1)C(=O)OC(C)(C)C 2162335301 PIGGVACXLNHSNQ-UHFFFAOYSA-N 430.346 5.300 30 10 IKEE CC(C)(C)OC(=O)NC1(c2cccc(Nc3ccc(C#N)c(Br)c3)c2)CC1 2169060824 HFLGLSMBPWFHLV-UHFFFAOYSA-N 428.330 5.578 30 10 IKEE CC1(C)CCCN(Cc2ccccc2)[C@H]1CNc1cc(Br)cc(F)c1C#N 2184357925 IHZUBTBWSXSVLP-NRFANRHFSA-N 430.365 5.563 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@H](CSC(C)(C)C)NC(=O)OC(C)(C)C 2212711878 MLBMEJIWKXOKHM-NHCUHLMSSA-N 436.662 5.163 30 10 IKEE CC1(C)OB(C2=CCCN(Cc3c(Br)sc4ccccc34)C2)OC1(C)C 2233006593 RXRDAROLHSRXNU-UHFFFAOYSA-N 434.208 5.427 30 10 IKEE Cc1c(Br)sc([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)c1C 2254667981 WDNRPZMFZILISK-HNNXBMFYSA-N 427.408 6.262 30 10 IKEE CC(C)[C@@H](C)N(Cc1ccccc1)C(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2255647203 VFIICSMBDQGBII-GOSISDBHSA-N 441.808 5.326 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)c1cc(Br)cc(C(C)(C)C)c1 2273002604 FDFDMWURZSXNID-QZTJIDSGSA-N 426.395 5.640 30 10 IKEE COc1ccc(C=C2Oc3cc(OCc4ccc(F)cc4Cl)ccc3C2=O)c(OC)c1 2296867475 RQVBOYVJJZCQLX-UHFFFAOYSA-N 440.854 5.692 30 10 IKEE COc1cccc(C=C2N=C(SCc3ccccc3)SC2=O)c1OCc1ccccc1 2297620096 LLJSAXOVIAHFHT-UHFFFAOYSA-N 447.581 6.178 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(Br)cc3)cc2)cc1 2314429837 PXRSRSNWNTWODT-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE CC1(C)OB(c2cc(Cl)cnc2Nc2cccc(OCc3ccccc3)c2)OC1(C)C 2317218192 HKVXZSLINZDVRD-UHFFFAOYSA-N 436.748 5.357 30 10 IKEE Cc1ccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C(F)(F)F)[nH]1 2321787338 ZAMFULFKRUZIBL-UHFFFAOYSA-N 434.274 5.415 30 10 IKEE Cc1c(OCc2c(F)cccc2Cl)ccc2c1OC(=Cc1cccc(Cl)c1)C2=O 2321802424 VYWQFNOOCCMOSL-UHFFFAOYSA-N 429.274 6.636 30 10 IKEE COc1ccc(OC)c(C=C2Oc3cc(OCc4ccc([N+](=O)[O-])cc4)cc(C)c3C2=O)c1 2321850055 AMKIORQQNMRJBP-UHFFFAOYSA-N 447.443 5.116 30 10 IKEE Cc1c(OCc2ccc([N+](=O)[O-])cc2)ccc2c1OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2321853867 ZERXRMXSEQBEMY-UHFFFAOYSA-N 432.388 5.007 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc4c3CN(CCc3ccc(C)cc3)CO4)C2=O)cc1 2322220563 GMVZYDRZXZTZDW-UHFFFAOYSA-N 425.528 5.568 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2c(OCC(=O)Nc3ccccc3C)ccc3ccccc23)c1 2322616977 AINVLGGFSOIVHE-UHFFFAOYSA-N 449.550 6.679 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(Br)cc2)C3=O)cc1 2322680142 JVLACRPOXLPNIF-UHFFFAOYSA-N 449.300 5.901 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3ccccc3CC)c2)cc1 2323078529 FUIWQDOGQWBTAZ-UHFFFAOYSA-N 441.571 6.505 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3cc(C)cc(C)c3)c2)cc1 2323078556 JZUPOSCDHQRWBU-UHFFFAOYSA-N 441.571 6.560 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OCC(=O)Nc1cc(C)cc(C)c1 2323160886 RSKWHMHDBINSJA-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE Cc1c(OC(=O)C(c2ccccc2)c2ccccc2)ccc2c1OC(=Cc1ccco1)C2=O 2323208152 HMXGOFQIXUEWOK-UHFFFAOYSA-N 436.463 5.942 30 10 IKEE COC(=O)c1ccc(C=C2Oc3cc(OC(=O)c4ccc(C)c(C)c4)cc(C)c3C2=O)cc1 2323248202 ONXHJWLBEVNHMB-UHFFFAOYSA-N 442.467 5.234 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OCC(=O)OC 2323353635 USKUXJWHYKQUQC-UHFFFAOYSA-N 442.511 5.539 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OCc1ccc(Cl)cc1Cl 2323777679 SYUYNOPULGKDFB-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE COc1cccc(C=NNc2nc(-c3ccccc3)c(C)s2)c1OCc1ccccc1 2323865680 LNGXJXWDNOOGTG-UHFFFAOYSA-N 429.545 6.152 30 10 IKEE CCCCN(CC)Cc1c(O)cc(C)c2c1OC(=Cc1cccc(Br)c1)C2=O 2324121662 IJVHCSBWDKNZSY-UHFFFAOYSA-N 444.369 5.701 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OCCc3ccccc3)c(Cl)c2)cc1C(C)C 2324262338 VYPASQWGFVFQBQ-UHFFFAOYSA-N 448.990 7.298 30 10 IKEE CCOc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4)cc(C)c3C2=O)cc1 2324405797 BCEJADLZNGABTQ-SFHVURJKSA-N 443.499 5.416 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2sccc2C)C3=O)c(C)c1 2324494972 HSDWPVQXHIIPGU-GOSISDBHSA-N 447.556 6.004 30 10 IKEE COc1ccc(C=C(C(=O)[C@H](C#N)c2nc(-c3cccs3)cs2)c2ccccc2)cc1 2324588857 MCMHLRJCPALENN-NRFANRHFSA-N 442.565 6.297 30 10 IKEE CCCCCCCCCOc1ccc2c(c1C)OC(=Cc1ccc(OC)c(OC)c1)C2=O 2325185245 ONXBBUHSNBNTFN-UHFFFAOYSA-N 438.564 6.758 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3)n2N=Cc2cccs2)c1 2325448981 YILMVTIRMVZZLE-UHFFFAOYSA-N 432.618 5.916 30 10 IKEE Cc1ccccc1C=Nn1c(Cc2ccccc2)nnc1SCc1ccc(Cl)cc1 2325491144 JYBFBZDNEFFIAO-UHFFFAOYSA-N 432.980 6.005 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4C(C)C)ccc3C2=O)cc1 2325726019 POENHVVGTNAEDA-UHFFFAOYSA-N 427.500 5.752 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)c1 2325726929 QBECHNHBZUHMCR-UHFFFAOYSA-N 427.500 5.752 30 10 IKEE CCCCCCOc1ccccc1C(=O)C=Nn1cnnc1SCc1ccc(F)cc1 2326235111 VSJVACRWPLXYMT-UHFFFAOYSA-N 440.544 5.385 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1ccccc1OC 2326339654 AOIKSYRGKPCBKN-UHFFFAOYSA-N 436.581 5.021 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1c(C)n(C)c2ccccc12 2326458424 VVAWEEXUQVLRID-UHFFFAOYSA-N 445.636 6.212 30 10 IKEE CC(C)Oc1c(Cl)cc(C=Nn2cnnc2SCc2ccc(C#N)cc2)cc1Cl 2326660554 NSORUUJJFQYMET-UHFFFAOYSA-N 446.363 5.418 30 10 IKEE C=CCSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1cccc(Br)c1 2329437866 HOIQCJAQNJUEBH-UHFFFAOYSA-N 441.398 5.409 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3ccccc3)nnc2-c2ccccc2Cl)c1 2329575965 VAKRPHHMEMIRBF-UHFFFAOYSA-N 448.979 6.172 30 10 IKEE Cc1ccccc1C=Nn1c(COc2ccccc2)nnc1SCc1cccc(Cl)c1 2329921959 NLVFJADGUGHJNU-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE C=CCSc1nnc(Cc2ccc(C)cc2)n1N=Cc1ccc(OCC)c(OCC)c1 2330008149 DCNQHDOFFABZER-UHFFFAOYSA-N 436.581 5.135 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc4ccccc34)n2N=Cc2ccccc2)cc1 2330019327 FYXMMQBAGXFAGK-UHFFFAOYSA-N 448.595 6.505 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2)n1N=Cc1cccc2ccccc12 2330105001 WVDWHVUMSRAXMG-NRFANRHFSA-N 448.595 6.758 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCc3ccccc3F)nnc2[C@@H](C)c2ccccc2)c1 2330109118 HCKNESTTZKISPF-SFHVURJKSA-N 446.551 5.758 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc([N+](=O)[O-])c1OC(=O)C1CCC1 2330692667 CTEUMHPFNPALNV-UHFFFAOYSA-N 449.503 5.474 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)c(C)c3)cc2)cc1OC 2330707438 UAXSVOMIWKYTDV-UHFFFAOYSA-N 434.463 5.196 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(O)cc1O 2330873383 MCRDDSXSFMMSMV-UHFFFAOYSA-N 430.961 5.106 30 10 IKEE COCCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccc(Cl)cc1Cl 2331256685 PLYYGMWKZFWJKQ-UHFFFAOYSA-N 435.380 5.257 30 10 IKEE Fc1cccc(Cl)c1C=Nn1c(SCc2ccccc2Cl)nnc1C1CCC1 2331526134 YBZDMNLJKMQWEA-UHFFFAOYSA-N 435.355 6.166 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2)c1 2331704720 YIXMMFAMZJZEBM-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C(C)(C)C 2339577000 NZPYUQIILVEIKJ-JKGDOXCYSA-N 446.397 5.044 30 10 IKEE CC(C)C[C@H](COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339600014 PQCFLGSUQUCENZ-JXOMPUQVSA-N 446.397 5.044 30 10 IKEE Cc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)c(C)c1 2761109 KNQJMCSHVHVPRN-PFBJBMPXSA-N 429.523 5.588 30 10 IKEE O=C(/C(=C\c1ccc(N2CCOCC2)cc1)c1nc2ccccc2[nH]1)c1cccc(Cl)c1 12564291 XPVLVQSVOHDDCB-CJLVFECKSA-N 443.934 5.476 30 10 IKEE CC(C)COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(C(C)C)cc2)cc1 21223183 BLNFPKSVWBIGNL-LADGPHEKSA-N 431.576 5.849 30 10 IKEE COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2OC)C3)cc1 21253391 VOFQCSWNAADGRM-MYUZEXMDSA-N 426.516 5.683 30 10 IKEE Cc1cccc(N/C(=N\C(=O)c2ccc(F)c(Cl)c2)NCCc2c[nH]c3ccccc23)c1 32943208 ZRTYVJVNKWJDMT-UHFFFAOYSA-N 448.929 5.709 30 10 IKEE CCc1cccc(N/C(=N\C(=O)c2ccc(C)c(C)c2)NCc2c(C)nn(CC)c2C)c1 32971765 YVPWJDTWKZQNEQ-UHFFFAOYSA-N 431.584 5.097 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)/C=C\c3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 33417149 FHDWDEJFAWUXBB-YUKPMKIRSA-N 440.455 5.086 30 10 IKEE O=C(/C(=C/c1ccc(-c2ccccc2Cl)o1)c1nc2ccccc2o1)c1ccccc1 33891126 ITKBAFZKQLIQIV-SILNSSARSA-N 425.871 7.165 30 10 IKEE C=CCN1C(=O)/C(=C(\C)c2ccc(Br)cc2)S/C1=N/c1cccnc1Cl 39863997 HZZGAXMPXUQXND-LCAAEPSCSA-N 448.773 5.678 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc2c(c1C)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 41284767 IDIHDEAFJZPYJQ-IMRQLAEWSA-N 446.502 6.806 30 10 IKEE CCCN(CCC)C[C@H](O)Cn1cc(/C=C\C(=O)c2ccc(OCC)cc2)c2ccccc21 96498699 HCFKZLXAHFGJTC-LFRSYBKYSA-N 448.607 5.419 30 10 IKEE CC(C)c1nc2scc(-c3ccc4c(c3)CCCC4)c2c(=O)n1Cc1cccc(C#N)c1 96526732 NKNXEAGIDATVPC-UHFFFAOYSA-N 439.584 6.047 30 10 IKEE COc1ccc(-n2c(-c3cccc(OC)c3)cc(/C(C)=N/OCc3ccccc3)c2C)cc1 97632619 HMGIFGOQLBPHKC-ZTKZIYFRSA-N 440.543 6.411 30 10 IKEE CCCCCCCC(=O)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(C)C 98018030 KINBMIOQBDQNOC-UHFFFAOYSA-N 426.601 5.448 30 10 IKEE CCCCCCCOc1cccc(NC(=O)CNc2ccccc2OCc2ccccc2)c1 100087885 AZOQFMYLHMIXJT-UHFFFAOYSA-N 446.591 6.665 30 10 IKEE Cc1[nH]c2ccc(F)cc2c1CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 108373929 IBVODPLDIXJQDY-UHFFFAOYSA-N 427.479 5.442 30 10 IKEE COc1cccc(/N=C(/C=C2N(C)c3ccccc3N2C)SCc2ccc(C)cc2)c1 109087459 WGYCIRSKDDMZLC-RFBIWTDZSA-N 429.589 6.395 30 10 IKEE C=CCn1c(C(=O)Nc2nc3c(s2)C[C@H](C(C)(C)C)CC3)c(C)c2cc(C(C)C)ccc21 169874204 WVAYFMSDCZUBKA-LJQANCHMSA-N 449.664 7.119 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2ccc(C)cc2)c1 169934727 CHXQHSCGRYZFMO-SANMLTNESA-N 449.506 5.940 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(OCc3ccccc3)cc2)NC(=S)N1C 169934739 NLBTYKWOSAMHIZ-XMMPIXPASA-N 428.557 5.284 30 10 IKEE COc1ccc(-c2csc(N/N=C\c3cc(Br)c(OC)c(OC)c3)n2)cc1 169940152 JLKFVJNTUXEMJH-FBHDLOMBSA-N 448.342 5.044 30 10 IKEE Cc1cccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccc(F)cc2F)c1 169971439 BHTMEKMMZJFDJH-DEOSSOPVSA-N 433.454 5.375 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@H]1c1ccccn1)c1cccc(Cl)c1 169993146 RVPHDUXWIWKFQS-IBGZPJMESA-N 443.261 5.310 30 10 IKEE CCCCCCCCCCN1C(=O)C(SCc2ccccc2)=C(c2cccs2)C1=O 170017698 RZGRIQFASNESQY-UHFFFAOYSA-N 441.662 6.902 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2sccc2C)cc1C 170106154 LITZTDBFGGEFGX-JOCHJYFZSA-N 431.557 6.073 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@@H]1c1cccc(OC)c1 170121013 WLRDFWBICUTSAG-QFIPXVFZSA-N 437.536 5.089 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1C1CCCCC1 170123790 CZSKKQRYDBIDQW-NRFANRHFSA-N 425.912 5.260 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccccn2)c1 170173818 YTJXCSWYNUZSMK-JOCHJYFZSA-N 448.906 5.305 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2cccnc2)cc1Cl 170185194 UTUFHEZUBPSAKN-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2cccnc2)cc1Cl 170187396 RDKRTBLPZOZDIS-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@@H]1c1cccnc1 170187693 NYGMCBBWZSKDOR-HSZRJFAPSA-N 442.515 5.107 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccc2C)c1 170271544 HUPJDMMGAUAVNA-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@H]1c1ccco1 170294749 DYWWCAGQQNXUMY-JOCHJYFZSA-N 425.525 5.570 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2ccco2)cc1C 170297174 DNQNVJFZTIIEBV-XMMPIXPASA-N 445.515 5.382 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2c2ccccc2C)o1 170305635 OOWNLVZUFOFIPA-HSZRJFAPSA-N 429.472 5.004 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3cc(OC)ccc3Cl)=C(O)C(=O)N2CCC)c1 170323646 SIAZUVIMBXQRQY-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3ccc(O)cc3)sc2c1 170451448 QVQDDRBBKXTXMV-NRFANRHFSA-N 436.533 5.080 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2nc3ccc(C(C)(C)C)cc3s2)[C@H]1c1ccccn1 170479599 MHQPCTKKULQAHG-NRFANRHFSA-N 449.576 5.504 30 10 IKEE C=C(C(=O)Nc1ccccc1)[C@H]([C@H](O)CCCCCCCC)S(=O)(=O)c1ccccc1 196948169 UEOVPIUCXLDGGD-DNQXCXABSA-N 443.609 5.135 30 10 IKEE C/C=C\C(=O)NCCCCCc1nc2ccccc2n1CCCCCCCCCCCC 205735717 FEXSAQFTVDOKBY-PVOVUMCXSA-N 439.688 7.362 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 226740575 KERKURAQSTYQPD-RNHFSVANSA-N 440.971 7.424 30 10 IKEE CC(C)N=c1scc(-c2ccc(-c3ccccc3)cc2)n1N=Cc1c[nH]c2ccccc12 254764804 OYZWWQNEHJHVNS-UHFFFAOYSA-N 436.584 6.556 30 10 IKEE Cc1ccc(N=C(c2ccccc2Cl)N(C(=O)c2ccccc2)c2ccc(C)cc2)cc1 254846933 RMOCSCKITFQMLQ-UHFFFAOYSA-N 438.958 7.382 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(F)cc2)c1 526515776 LWWHFMMRMZYKRI-DEOSSOPVSA-N 428.463 5.543 30 10 IKEE CC(C)c1ccc(NC2=C(Sc3ccccc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 526635929 CZAOZBDNKLYMBS-UHFFFAOYSA-N 439.540 5.671 30 10 IKEE Cc1ccc(SC2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccccc3C)C2=O)cc1 526663096 RLOLMQNTHOBGGQ-UHFFFAOYSA-N 425.513 5.164 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccccc2Cl)cc1 526806124 YPFAULZKRDJWRT-QQXSKIMKSA-N 432.980 6.005 30 10 IKEE CCCOc1ccc(/C=N\n2c(C)nnc2SCc2ccccc2Cl)cc1OCC 526815551 BCFHERAQADMTHM-OYKKKHCWSA-N 444.988 5.602 30 10 IKEE N#Cc1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2cccc(Cl)c2)cc1 586170347 IZXBEPXZPFRANV-UHFFFAOYSA-N 431.344 5.256 30 10 IKEE CCOc1ccc([C@@H](O)C[C@H]2SC(=Nc3ccc(-c4ccccc4)cc3)NC2=O)cc1 606655836 AXFLRPHEHXUIOZ-XZOQPEGZSA-N 432.545 5.095 30 10 IKEE Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C\C(=O)c1ccc(C(F)(F)F)nc1O 731564524 ICWXPLHGAHTGBL-CLFYSBASSA-N 435.833 5.217 30 10 IKEE CCC(C)=NNc1nc2cc(C)c(NC(=O)c3cncc(Br)c3)c(C)c2s1 1081377961 WLYYVINRXKHJOE-UHFFFAOYSA-N 446.374 5.521 30 10 IKEE Cc1ccc(N=Cc2ccc(Sc3nnc(-c4ccccc4)n3-c3ccccc3)o2)cc1 1083898629 OGVJHVJETOMJNS-UHFFFAOYSA-N 436.540 6.738 30 10 IKEE CCOC(=O)/C(=C\Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C(=O)c1ccccc1 1088686238 RCDNWWFYABDERW-IWQUUTMOSA-N 444.918 5.737 30 10 IKEE C[C@@H](NC(=O)N[C@H](C)c1ccc2nc(O)oc2c1)c1ccc(-c2cccc(C#N)c2)cc1 1312478599 HRPYOPQQIRKFPX-HZPDHXFCSA-N 426.476 5.193 30 10 IKEE N#Cc1nn(-c2ccc(Cl)c(Cl)c2Cl)c(N)c1SC(Cl)(Cl)Cl 1614948884 SPQOYWVAQGKWKF-UHFFFAOYSA-N 436.966 5.706 30 10 IKEE COc1ccc(OC)c(/C=C2/SC(=Nc3cccc(C)n3)N(C3CCCCC3)C2=O)c1 1772737352 NUJLVYYZGNOFNY-LLLXPECQSA-N 437.565 5.344 30 10 IKEE CC(C)(C)c1ccc(/C=C2/SC(=NN=Cc3ccccc3)N(Cc3ccco3)C2=O)cc1 1772758319 RGSJONOTLGJETO-WHJACJQHSA-N 443.572 6.084 30 10 IKEE CCc1ccc(-c2nn(-c3ccc(Oc4ccccc4)cc3)cc2/C=N\NC(N)=S)cc1 1857807045 SAOOTVCOSWEKNO-YUMHPJSZSA-N 441.560 5.061 30 10 IKEE COc1cccc(-c2nn(-c3ccccc3)cc2/C=N\NC(=S)Nc2ccc(C)cc2)c1 1857811076 JZDZENQJEXCQOU-QQXSKIMKSA-N 441.560 5.177 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)[C@@H](C)CC 1861132149 SYYAAKQUDHWYTP-NBHZBUMCSA-N 445.604 5.396 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2Cc2ccco2)cc1 1862379478 CJRRMGQVNQLPNH-FQEVSTJZSA-N 442.298 5.673 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(OC)cc1 1862401673 GOUKZXLBIUMPNR-QHCPKHFHSA-N 437.536 5.171 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1c(Cl)cccc1Cl 1862405375 BXEYJTZZBPVVPX-ZUOKHONESA-N 448.346 5.687 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(Cl)cc1)c1c(F)cc(F)cc1F 1862458865 WZOSITPQIVDSKX-LJQANCHMSA-N 435.829 5.278 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(C(F)(F)F)cc1 1862495864 WTUCMLKJTLTHRM-QRWLVFNGSA-N 431.454 5.699 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)CCCC2 1862551025 OSJWZLKDRKQHBC-OAQYLSRUSA-N 441.449 5.325 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CCC(C)C)c1 1862580714 QITUUTJLUFDDRN-FQEVSTJZSA-N 432.347 5.926 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(CC)cc1 1862617094 USGWXDNXICTRPW-VWLOTQADSA-N 447.619 6.705 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccccc1Cl 1862626930 IQNHNPOTMRMJLY-NRFANRHFSA-N 441.911 5.227 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccc(O)cc2)c1 1862650472 WWFDGJQDEQWYJE-AREMUKBSSA-N 449.506 5.632 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(C(C)C)cc1 1862651943 YWBPCJYRXYJKCY-RUZDIDTESA-N 427.544 6.198 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862660346 KZCDERNKBMGUIL-RUZDIDTESA-N 443.518 6.036 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(Cl)cc2)cc1 1862661495 CDCIVTUWTJWLQL-JOCHJYFZSA-N 435.907 5.835 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1c(Cl)cccc1Cl 1862690303 MBKVFWDOQLUUQK-BUXKBTBVSA-N 434.319 5.379 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(OCCC)cc1 1862697002 WTKOELHYUFXVGO-HSZRJFAPSA-N 437.536 5.253 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2cccc(C)c2)c1 1862698450 HVRKASKPGMANDX-VWLOTQADSA-N 441.527 5.399 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc3cc[nH]c3c2)c1 1862701470 FVAOEZNDGPJQCR-DEOSSOPVSA-N 444.531 5.478 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)c1 1862703189 DDIZHNGJLGTGRH-VXWZWFMZSA-N 449.547 5.251 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2cccc3ccccc23)c1 1862704566 CWEMKMAZOBBASJ-DEOSSOPVSA-N 429.516 5.473 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1Cl 1862712787 ZKGVCJZADROSMW-QHCPKHFHSA-N 433.935 6.118 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc(O)cc1)c1ccc2ccccc2c1 1862712961 DOXQSDFDUXUXEA-SANMLTNESA-N 449.506 5.366 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)Nc2cccc(Cl)c2C)c(=O)cc1C 1870082394 XINXRXBULVDKSL-UHFFFAOYSA-N 447.019 6.277 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCCCCCCC 1870349188 DMNOMQRCSYNQAR-UHFFFAOYSA-N 447.623 5.833 30 10 IKEE CCCCCCCCn1cc(OCCCc2ccccc2)c(=O)cc1CN(CC)CCO 1870688911 UUBLJOWVGRWBBB-UHFFFAOYSA-N 442.644 5.035 30 10 IKEE C=CCOc1cn(Cc2ccco2)c(CNc2ccc(Cl)c(C(F)(F)F)c2)cc1=O 1870811979 LOQAJSNRYAXDBE-UHFFFAOYSA-N 438.833 5.339 30 10 IKEE C=CCn1cc(OCc2cccc3ccccc23)c(=O)cc1CNc1ccc(OCC)cc1 1870918685 KZXCWSODOHWJSU-UHFFFAOYSA-N 440.543 5.777 30 10 IKEE Cc1ccc(CCN2COc3cc(C)c4c(c3C2)O/C(=C\c2ccccc2Cl)C4=O)cc1 1871348100 QKYXQZFMDJGWKK-OYKKKHCWSA-N 445.946 5.968 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc([N+](=O)[O-])cc1)C3=O)CN([C@H]1CCCC[C@H]1C)CO2 1871356227 ZUKXCNBBOYRBHU-YSJGDPSDSA-N 434.492 5.250 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OC(=O)CCc4ccc(Cl)cc4)c3C)C2=O)c1 1871369066 XJNYYLQOFHPHGR-HAHDFKILSA-N 448.902 5.811 30 10 IKEE Cc1c(OC(=O)Cc2cccc3ccccc23)ccc2c1O/C(=C\c1ccccc1F)C2=O 1871376755 WIWFMRJOTCZLCA-MYYYXRDXSA-N 438.454 6.052 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccccc1C)C2=O 1871424657 ROGKRKPABPJIMC-OYKKKHCWSA-N 441.527 5.808 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OCCC(=O)OCCC(C)C)ccc3C2=O)c2ccccc21 1871429036 FYQINAMNQCHHDE-MYYYXRDXSA-N 447.531 5.636 30 10 IKEE CCCCc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2cccs2)C3=O)cc1 1871455352 OCJUNMXRLBCGLM-HAHDFKILSA-N 447.556 6.033 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)cc1)[C@@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1871776816 PJUDCXDAPWBKDL-AVRDEDQJSA-N 449.016 5.269 30 10 IKEE C=CCN([C@H](CCC)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)c(C)c1 1872456700 KUTCLLIORNHZFW-JOCHJYFZSA-N 449.016 5.249 30 10 IKEE COc1ccc(Cl)cc1C(=O)[C@@H](C#N)c1nc(-c2cc(C)c(Cl)cc2OC)cs1 1872783673 FSYACVOQBQRPOZ-OAHLLOKOSA-N 447.343 5.933 30 10 IKEE CC(=O)Oc1cccc(C(=O)[C@@H](C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)c1 1872785023 CPSGNYGAYAAUGO-OAQYLSRUSA-N 432.545 5.831 30 10 IKEE C=CCc1ccccc1OCc1ccc(C(=O)Nc2cccc(OC(F)(F)F)c2)cc1 1872858968 DAYRCMRVDAWMBR-UHFFFAOYSA-N 427.422 6.145 30 10 IKEE C=CCNC1=C(c2cc(F)cc(F)c2)C(=O)N(C2CCCCCCCCCCC2)C1=O 1873113943 HYVGGSIBEPCUOH-UHFFFAOYSA-N 430.539 5.494 30 10 IKEE C=CCOc1ccccc1OCc1nc2ccccc2n1Cc1c(Cl)cccc1Cl 1873513437 BBLCHPZOFMJBHH-UHFFFAOYSA-N 439.342 6.535 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(Br)cc1C)n2CCCC 1873612573 CASDSYYXZWXCOB-UHFFFAOYSA-N 442.361 5.153 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(CC)cc2)cc2c(NCc3ccc(Cl)cc3)ncnc21 1873638110 XATBPZSYJABBPI-UHFFFAOYSA-N 445.954 5.698 30 10 IKEE CCCCCCCCNC(=O)[C@H](C)Oc1cc2oc(=O)cc(CCCC)c2cc1Cl 1873892226 WMUIDNZVFCDNRG-KRWDZBQOSA-N 435.992 6.033 30 10 IKEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3ccc(C(F)(F)F)cc3)c(=O)oc2c1 1873942897 VDSYVUAHIMBZDA-UHFFFAOYSA-N 445.437 5.646 30 10 IKEE CCCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1/N=C/c1ccncc1 1874195911 LLMDNCOYKTXGCO-NLRVBDNBSA-N 437.613 5.367 30 10 IKEE CCSc1nnc(CCCOc2ccc(OC)cc2)n1/N=C/c1cccc2ccccc12 1874221307 FIDYAYCZAYCRDH-NLRVBDNBSA-N 446.576 5.446 30 10 IKEE CCOc1ccccc1OCc1nnc(SC)n1/N=C/c1c(Cl)cccc1Cl 1874239394 FZIJOXMZIZXBRA-SSDVNMTOSA-N 437.352 5.167 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2OCC)n1/N=C/c1ccc(CC)cc1 1874240924 GIJUQSIIUODWFL-MFKUBSTISA-N 436.581 5.369 30 10 IKEE CCCCC1CCC(c2nnc(SCC)n2/N=C/c2ccc(Cl)cc2Cl)CC1 1874284945 HMHJWMHPSMSDHV-ZVHZXABRSA-N 439.456 7.043 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2)n1/N=C/c1ccccc1OC(C)C 1874317641 DVXIMXIISAEGLW-XIEYBQDHSA-N 438.597 5.461 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(Cl)cc3)n2/N=C/c2ccccn2)cc1 1874339252 OPFWPBYXIZKLGN-CVKSISIWSA-N 433.968 5.400 30 10 IKEE Cc1ccccc1/C=N/n1c(COc2ccccc2)nnc1SCc1cccc(Cl)c1 1874385403 NLVFJADGUGHJNU-CVKSISIWSA-N 448.979 5.993 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2C)c1 1874416156 AZNLSFBQCJZCOG-WGOQTCKBSA-N 428.561 5.366 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3cccs3)n2/N=C/c2ccc([N+](=O)[O-])cc2)c1 1874422492 OVDHIMHQTIGYQZ-YDZHTSKRSA-N 449.561 5.706 30 10 IKEE COc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2cccc(F)c2)c(OC)c1 1874437702 ONNJLDBJCXYVEL-AFUMVMLFSA-N 442.560 5.198 30 10 IKEE Cc1ccc(CSc2nnc(C(C)(C)C)n2/N=C/c2ccc(Cl)cc2Cl)cc1 1874481462 XHRNMOUCFQLZCW-WYMPLXKRSA-N 433.408 6.365 30 10 IKEE C=C(C)CSc1nnc(C(C)(C)C)n1/N=C/c1ccc(OCc2ccccc2C)cc1 1874481762 MLOWZLQMIVZPEW-CVKSISIWSA-N 434.609 6.013 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(C2CCC2)n1/N=C/c1sccc1C 1874495178 YTYYHYYEVAZQSY-YDZHTSKRSA-N 439.610 5.091 30 10 IKEE O=[N+]([O-])c1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CCC2)cc1 1874496128 WGXSKIUJPXZIMJ-WSDLNYQXSA-N 427.917 5.282 30 10 IKEE COCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1ccc(Cl)c(Cl)c1 1874501601 PIGHJDGCBGFZAI-AUEPDCJTSA-N 435.380 5.523 30 10 IKEE CCCOc1cccc(/C=N/n2c(CCC)nnc2SCc2cccc(Cl)c2)c1 1874510428 NFPOWVDXYPEVJB-BUVRLJJBSA-N 428.989 5.847 30 10 IKEE Cc1cccc(C)c1NC(=O)CSc1nnc(C)n1/N=C/c1c(Cl)cccc1Cl 1874532511 MVXKMOSXRHDMMK-AUEPDCJTSA-N 448.379 5.123 30 10 IKEE CCOc1cccc(/C=N/n2c(S)nnc2CCCOc2cc(C)c(Cl)c(C)c2)c1 1874570935 OZXZNOWMZLAGEM-ZVHZXABRSA-N 444.988 5.130 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OC)c2OCc2ccccc2Cl)c1 1874580740 DNNVBVDVHXDNGR-ACCUITESSA-N 438.907 5.841 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OC)c1OCC(=O)Nc1ccc(C)cc1 1874580879 KGONTCFLMSVHMA-SDNWHVSQSA-N 445.515 5.234 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(F)c(C)c2)c1OCC(=O)Nc1c(C)cccc1C 1874581363 KBCSMWCXLVDLOO-WYMLVPIESA-N 447.506 5.673 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(F)c(C)c2)c1OCc1ccccc1Cl 1874581374 KQLBOIYKDACDLN-CSKARUKUSA-N 445.317 6.925 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1OCC(=O)Nc1ccccc1C 1874597202 ZFODXNVWUQOEQS-ZRDIBKRKSA-N 445.515 5.234 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3cc(C)ccc3C)c2)c(OC)c1 1874600509 PSVGKWZLLBOCOE-JLHYYAGUSA-N 445.515 5.234 30 10 IKEE Cc1ccc(NC(=O)COc2cccc(/C=C/C(=O)c3cc(Cl)ccc3Cl)c2)cc1 1874600955 LIKADFBEPIIBKH-KPKJPENVSA-N 440.326 6.215 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCc3c(Cl)cccc3Cl)c([N+](=O)[O-])c2)cc1 1874616402 YAPGOPIMDDSQMF-YRNVUSSQSA-N 442.298 6.685 30 10 IKEE O=C(CCCOc1ccccc1)Oc1cccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c1 1874697989 FTNPERNNAYZGKY-LFIBNONCSA-N 431.444 5.256 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2)cc1OC(=O)c1ccc(OCC(C)C)cc1 1874700219 HFYWOFZYLFRNGQ-OQLLNIDSSA-N 430.500 5.845 30 10 IKEE CCCCCCC(=O)Oc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)ccc1OC 1874715591 WJDWUFVAEVNCFZ-ZRDIBKRKSA-N 444.955 6.438 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1OC(=O)CC(C)C 1874715947 ULBUDXDMMQAQMH-FNORWQNLSA-N 437.319 5.858 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2cccc3ccccc23)c1)c1cc(Cl)ccc1Cl 1874718806 NVIGKSVTGQPLTO-SDNWHVSQSA-N 447.317 7.262 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@H]2CCCO2)c([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 1875078291 IQMPZPWEHZRKAC-WCLOKENTSA-N 443.455 5.242 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)CC(C)C 1875082337 AKRVSOZKMACBJS-MHWRWJLKSA-N 428.528 6.600 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccs2)c(Br)c1)c1cccc(Cl)c1 1875121512 SYKVYLWFUDNPLQ-SOFGYWHQSA-N 447.737 6.279 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3cccc(OC)c3)cc2)cc1 1875129453 CWAMYOBMBPDVRF-RQZCQDPDSA-N 430.500 5.528 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C2CCC2)c([N+](=O)[O-])c1)c1ccc(Oc2ccccc2)cc1 1875165350 JHGRNEHCLRPOON-OQLLNIDSSA-N 443.455 5.989 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)C2CC2)c(Br)c1 1875170728 NNOXIHUWOYSMJT-XBXARRHUSA-N 429.310 5.286 30 10 IKEE CCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)c(OC)cc2OC)cc1OCC 1875174325 LMWOLBWGPVJVIJ-CSKARUKUSA-N 432.900 5.358 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccs3)c(Br)c2)cc1C 1875175407 NTVIELPPGRFPJC-RMKNXTFCSA-N 441.346 6.243 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1C 1875175415 OCJNVYPSFOJQKS-NYYWCZLTSA-N 425.311 6.726 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)c1cncc(C)c1 1875179316 YDDPZLNJMOXTKV-PKNBQFBNSA-N 441.527 5.859 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OC(=O)C2CCCC2)c([N+](=O)[O-])c1 1875179903 GXFVFJOMQXYUMV-VQHVLOKHSA-N 443.883 5.557 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)[C@@H]1CCCO1 1875182934 CDNJEGSTUVDCAK-SHBDEGQCSA-N 442.939 5.644 30 10 IKEE CC1(C)OB([C@@]23C[C@@H]2CCN(Cc2ccc(Br)cc2Cl)C3)OC1(C)C 1879792120 DQKMSPXRTKXKQN-IFXJQAMLSA-N 426.591 5.161 30 10 IKEE C#CCC[C@H](CNC(=O)OC(C)(C)C)Oc1cc(Br)ccc1C(F)(F)F 1903151523 KGTIFNRUOXMWDJ-CYBMUJFWSA-N 436.268 5.153 30 10 IKEE CCc1cc(Br)c([C@H](C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)s1 1912199629 VKAFBYPHGJKYFJ-ZDUSSCGKSA-N 428.356 5.575 30 10 IKEE CCCCCCCC[C@H](NCC)c1sc(Br)c(C)c1Br 1922933627 XXMVUFQVUBNAJG-ZDUSSCGKSA-N 425.274 6.983 30 10 IKEE CC(C)(C)OC(=O)NCC1CCC(C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)CC1 2030039507 DMMFNXSCUXIYNJ-UHFFFAOYSA-N 449.636 5.924 30 10 IKEE CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2033647065 ZOIYJGUYKBMOPJ-FXAWDEMLSA-N 449.567 5.646 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](N)Cc1cc(Cl)c(C)c(Br)c1 2048645548 MEUMHYWQEDKONC-IRXDYDNUSA-N 431.802 5.140 30 10 IKEE C=C(C)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@H](O)C[C@H](O)[C@@]34C)[C@H]12 2053639385 SWEUJTWPRYKNNX-XMGYHEPJSA-N 442.728 6.996 30 10 IKEE COc1ccc([C@H](n2nc(C(F)(F)F)c(C#N)c2Br)C2(C)CC2)c(F)c1 2080070563 FAMQLNMGDCFKPT-AWEZNQCLSA-N 432.215 5.073 30 10 IKEE COc1ccc(-c2cc(Cl)n3nc(C4CCCC4)c(C#N)c3n2)c(Br)c1 2081165716 WYYUWUXFTZLUIL-UHFFFAOYSA-N 431.721 5.350 30 10 IKEE Fc1ccc(-c2cc(Cl)n3nc(C(F)(F)F)c(C4CCC4)c3n2)nc1C(F)(F)F 2081233156 IRWCKLYKCRHQRO-UHFFFAOYSA-N 438.734 5.889 30 10 IKEE C=CCCCCCCCC[C@@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NC 2086264034 NZEPCOFSRGHJMW-DQEYMECFSA-N 446.676 6.381 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NC)c2c(Cl)ccc(Br)c2F)C1 2126626477 VMEFHAKEHCFXSH-INIZCTEOSA-N 447.776 5.363 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(F)c(Br)cc1F 2198195571 KNSKWERAHHWIFC-ZWKOTPCHSA-N 445.348 5.075 30 10 IKEE C=CCCCCCCC[C@H](NCCC)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2220095916 ARXYJBJSTQWPEI-DQEYMECFSA-N 446.676 6.381 30 10 IKEE C=C(CC)C[C@H](NCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229116937 TUEIVNSCQWCPPL-OALUTQOASA-N 425.411 5.219 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)C#Cc1ccc(Cl)cc1 2231081683 XORGOMXBSCJLAA-UHFFFAOYSA-N 434.717 5.684 30 10 IKEE C=CCCCCCCC[C@H](N)[C@@H](O)c1cc(Br)c(Br)s1 2235520738 CASCMJBTGKLQMW-GXTWGEPZSA-N 425.230 5.551 30 10 IKEE C=CC[C@@H](C)[C@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2262775563 ISLQOCVMHYHBNZ-DFHRPNOPSA-N 431.576 6.073 30 10 IKEE C=CCC[C@H](COc1nc2ccc(Br)cc2s1)NC(=O)OC(C)(C)C 2264301343 IWEFXXBMFYZJPO-CYBMUJFWSA-N 427.364 5.297 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1sc(Br)c(C)c1C 2265926951 HDDVGUDWPWFMJU-JKSUJKDBSA-N 443.451 5.475 30 10 IKEE CCCCCCCCCCOc1ccc(C2=NC(=Cc3ccc(C(C)C)cc3)C(=O)O2)cc1 2297322665 YQCWKEPWROTOBZ-UHFFFAOYSA-N 447.619 7.674 30 10 IKEE SC[C@@H](CSc1cc(I)ccc1Br)C1CCC1 2300805097 JOHUEZUGXZYIMD-JTQLQIEISA-N 443.213 5.492 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C)NCC 2304000000 FAYVSOIVBAZQAM-RJGXRXQPSA-N 430.633 5.457 30 10 IKEE COc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)c1 2314437622 RGXDPWPMEUFKPN-UHFFFAOYSA-N 428.484 5.828 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3)cc2C=CC(=O)c2ccc(NC(C)=O)cc2)cc1 2314522860 BDBZXYDROADTGE-UHFFFAOYSA-N 437.499 5.402 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1cccc(C(F)(F)F)c1 2318574658 PIFHZFZIGBYLGL-UHFFFAOYSA-N 446.542 6.431 30 10 IKEE CCCOc1c(OC)cc(C=NNc2oc([C@@H]3C[C@H]3c3ccccc3)nc2C#N)cc1OC 2320837485 ZNCQJXOFDULTPA-RBUKOAKNSA-N 446.507 5.069 30 10 IKEE Cc1c(OCc2ccccc2F)ccc2c1OC(=Cc1ccccc1Br)C2=O 2321796409 AKOUBWNTELZKCK-UHFFFAOYSA-N 439.280 6.092 30 10 IKEE Cc1ccc(C=C2Oc3c(cc4c(c3C)OCN(CCCc3ccccc3)C4)C2=O)cc1 2322427149 CQLBGUTZHQSIIB-UHFFFAOYSA-N 425.528 5.704 30 10 IKEE COc1cccc(C=CC(=O)c2ccccc2Cl)c1OCC(=O)Nc1ccc(C)cc1C 2322437063 UUJDQTSXKSQXOT-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE Cc1ccc(C(=O)C=Cc2c(OCC(=O)Nc3ccccc3C)ccc3ccccc23)cc1 2322591588 MRDBHBQIYVUDJK-UHFFFAOYSA-N 435.523 6.370 30 10 IKEE Cc1cc(OC(=O)c2ccc(F)cc2)cc2c1C(=O)C(=Cc1c(Cl)cccc1Cl)O2 2322781908 WRIBOXFRFMNUST-UHFFFAOYSA-N 443.257 6.276 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2cccc(F)c2)c(OC)c1 2322904473 PAKJWDNZEPXGRD-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE CCCOc1c(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc(Br)cc1OC 2322961456 ZDNZGDGTNWKUIK-UHFFFAOYSA-N 445.397 6.749 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2OC)cc1OCc1c(F)cccc1Cl 2323099497 LIOIVVNXFMZOKZ-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE Cc1cc(OC(=O)c2ccc(F)c(F)c2F)cc2c1C(=O)C(=Cc1ccccc1F)O2 2323126999 KWLWSYFYCCEOSN-UHFFFAOYSA-N 428.337 5.387 30 10 IKEE Cc1c(OC(=O)c2cccc([N+](=O)[O-])c2)ccc2c1OC(=Cc1ccccc1Cl)C2=O 2323310327 SXLBDYWUZJJEPZ-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Br)c1OCCCO 2323768069 HKKBBLOXAIZQPI-UHFFFAOYSA-N 439.733 5.159 30 10 IKEE CCOc1cc(C=NNc2nc(-c3ccc(C)cc3C)cs2)cc([N+](=O)[O-])c1OCC 2323854385 SWIBMQQZIGMDDT-UHFFFAOYSA-N 440.525 5.579 30 10 IKEE CCCOC(=O)COc1c(OC)cc(C=CC(=O)c2cccc3ccccc23)cc1OC 2324129464 HRLSQYMQKSONGF-UHFFFAOYSA-N 434.488 5.085 30 10 IKEE COc1ccccc1-c1csc([C@H](C#N)C(=O)C(=Cc2ccccc2)c2ccccc2)n1 2324455528 KLTMDZUZLXKBQZ-HSZRJFAPSA-N 436.536 6.236 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2C)C3=O)c(C)c1 2324494966 HIILKYOAQDVTCE-FQEVSTJZSA-N 441.527 5.942 30 10 IKEE O=C(C=Cc1ccccc1Br)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2325603832 SOCKBNWTHMZDRM-UHFFFAOYSA-N 432.623 5.342 30 10 IKEE COc1cccc(CCC(=O)Oc2cccc(C=CC(=O)c3ccc4ccccc4c3)c2)c1 2325700567 PXZWOCIZARDXEF-UHFFFAOYSA-N 436.507 6.283 30 10 IKEE CCN(CC)CCOc1ccc2c(c1C)OC(=Cc1ccc(Br)cc1)C2=O 2325703587 CGEPEAWDONYJSH-UHFFFAOYSA-N 430.342 5.094 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCc4cc(=O)oc5ccc(C)cc45)cc(C)c3C2=O)cc1 2325741576 SEXSIJSDKUBZBS-UHFFFAOYSA-N 438.479 5.913 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC(=O)c2ccccc2Cl)c1 2325752596 KRMCHWJKCJPHHS-UHFFFAOYSA-N 448.946 6.761 30 10 IKEE CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1ccc(OC)cc1 2325903825 SOHNMGKBLPQDAJ-UHFFFAOYSA-N 438.597 5.466 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccc(Cl)cc1 2326542300 DYTZHRPCJJVACW-UHFFFAOYSA-N 435.380 5.857 30 10 IKEE Clc1ccccc1CSc1nnc(CCc2cccs2)n1N=Cc1cccs1 2329667655 BNYUYPHPBXGVKY-UHFFFAOYSA-N 445.038 6.014 30 10 IKEE Oc1ccc(C=Nn2c(Cc3ccccc3F)nnc2SCc2cccc(F)c2)cc1 2329725728 LDUUXOGDAMNPKJ-UHFFFAOYSA-N 436.487 5.027 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc4ccccc34)n2N=Cc2ccco2)cc1 2330016011 BCKHHSCUYPJNKV-UHFFFAOYSA-N 438.556 6.098 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(O)cc1 2330082204 XSRWAJRVRFMCGX-QGZVFWFLSA-N 432.524 5.449 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2F)n1N=Cc1ccc(O)cc1O 2330108809 XIZXCUMXQPNBQM-MRXNPFEDSA-N 448.523 5.155 30 10 IKEE Cc1cccc(CSc2nnc(CC3CCCCC3)n2N=Cc2ccccc2Cl)c1 2330245912 NSNCUKYYEFCFTN-UHFFFAOYSA-N 439.028 6.537 30 10 IKEE O=[N+]([O-])c1ccccc1C=Nn1c(SCc2ccccc2F)nnc1-c1cccs1 2330580183 IXBJJSZKBLJZSN-UHFFFAOYSA-N 439.497 5.228 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Br)cc2)ccc1OC(=O)C1CCCC1 2330896087 MAXORWAWXGTHGE-UHFFFAOYSA-N 429.310 5.449 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccccc3Cl)cc2[N+](=O)[O-])cc1 2330934240 WQCKAODKWJUBFE-UHFFFAOYSA-N 435.863 5.926 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)ccc1OC(=O)CCc1ccccc1C 2330979691 OZMIBQUZORQYEM-UHFFFAOYSA-N 444.527 5.837 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OC(=O)CCOc1ccccc1 2331108634 HSADBEBQDSURPM-UHFFFAOYSA-N 438.426 5.244 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cnccn2)c(Cl)c1)c1ccc(Cl)c(Cl)c1 2331242459 FBBAVMKZNUAMIR-UHFFFAOYSA-N 433.678 5.552 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])CC1 2331273326 HOMMPFADAUUBLG-UHFFFAOYSA-N 449.547 6.701 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)cc2)c(Cl)c1)c1ccc2c(c1)OCCO2 2331399547 VXDBEKSBCCZMGY-UHFFFAOYSA-N 438.838 5.366 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1cccs1 2331411144 SXNOFDSPCRUNAX-UHFFFAOYSA-N 425.410 6.118 30 10 IKEE CC(C)(C)c1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccccc1C(=O)O 2331417492 UHWRSVJQVXDODT-UHFFFAOYSA-N 446.935 5.241 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc(Cl)c1OC(=O)C1CCC1 2331659249 VPEGKZANAVLWQS-UHFFFAOYSA-N 428.912 5.576 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(C=CC(=O)c3cc(Cl)ccc3Cl)cc2)c1 2331859074 HRCVYYJIPNZOPR-UHFFFAOYSA-N 439.338 6.654 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NC)c1cc(Br)cc(OC2CC2)c1 2362724522 KKGNLVUCRPYHHX-RTBURBONSA-N 439.394 5.110 30 10 IKEE CC1(C)OB(/C=C/c2ccc(N[C@H]3C[C@@H]4C[C@H](OCc5ccccc5)C[C@H]34)nc2)OC1(C)C 2365102004 XFXYPNYSXUYUEV-GWSAUYKKSA-N 446.400 5.522 30 10 IKEE CCCCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C)cc1)C1=C(CC(C)(C)CC1=O)N2 9608863 SFNQSRDYNIYEOC-IBGZPJMESA-N 437.609 5.561 30 10 IKEE C=CCOC[C@@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1 36304871 AZPDFYVQEHWWMB-DEOSSOPVSA-N 449.595 5.057 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCc3ccc(C(=O)OC)cc3)ccc2C1=O 39754503 LUWOPPSVDPAFQO-OYKKKHCWSA-N 430.456 5.067 30 10 IKEE O=C1N/C(=N/c2nc3ccccc3s2)S[C@H]1Cc1cc(C(F)(F)F)ccc1Cl 39847202 QGIWYMZAQMHXCX-AWEZNQCLSA-N 441.887 5.430 30 10 IKEE O=C1/C(=C/c2cccc(Cl)c2)S/C(=N/c2ccncc2Cl)N1C1CCCCC1 39864612 GYHRYSFLCQTHLR-AVIKPBSTSA-N 432.376 6.325 30 10 IKEE C/C(=C1/S/C(=N/c2cccc(C(=O)O)c2)N(c2ccccc2)C1=O)c1ccc(Cl)cc1 39866789 GFJHSECZKYDYJV-SYUAUQEVSA-N 448.931 6.237 30 10 IKEE CCOc1ccc(/C=C2/S/C(=N/c3cccc(Cl)c3Cl)NC2=O)c2ccccc12 59433558 OTJGCGLEXCZTRA-XDHOZWIPSA-N 443.355 6.437 30 10 IKEE Cc1ccc(Oc2ccc(C(F)(F)F)cc2/N=C/c2cc(Cl)ccc2O)c(Cl)c1 59507021 GKAWWNAJYSAOJA-LUOAPIJWSA-N 440.248 7.569 30 10 IKEE CCCCN(CCCC)C[C@@H](O)Cn1cc(/C=C\C(=O)c2ccc(C)cc2)c2ccccc21 96498605 HUVFCCVAOSDMDI-VNBGQBMQSA-N 446.635 6.109 30 10 IKEE CC(=O)N(c1nc(/C=C\C(=O)c2cc(Cl)ccc2Cl)cs1)c1c(C)cccc1C 96924473 UXKROIWEFVVRFK-NTMALXAHSA-N 445.371 6.647 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(Cl)cccc1Cl)N2 100371044 XTSJLIXIXIFJGB-HHJKRLRDSA-N 430.419 8.169 30 10 IKEE Cc1ccc2nc(N3C(=O)C(=O)/C(=C(\O)c4ccccc4)[C@@H]3c3ccccc3)sc2c1 102541280 KHRNUCZVOCCLJL-AGGMBTAESA-N 426.497 5.231 30 10 IKEE O=C(/N=C1\N=C/C(=N\Nc2cccc(C(F)(F)F)c2)S1)c1ccc(Cl)cc1Cl 105885600 ORKVDDSDMFJVNT-ZIWRNTLOSA-N 445.253 5.752 30 10 IKEE C[C@H](Oc1cccc(C#N)c1)C(=O)Nc1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 108983497 FSICMNHNBRZGGE-SFHVURJKSA-N 441.531 5.514 30 10 IKEE N#Cc1sc(-c2cc(Br)c(Br)s2)c(-c2cccs2)c1N 128581807 DGLNGJPIODNVRJ-UHFFFAOYSA-N 446.214 6.184 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\Nc2nc(C(C)C)cc(=O)[nH]2)cc1OCC 169896449 UJNZXDZNSOYLHC-ITYLOYPMSA-N 442.604 5.867 30 10 IKEE CCCOc1c(Cl)cc(/C=N\n2c(S)nnc2CCc2ccccc2)cc1OCC 169911308 QTLHNBWPQROXDB-IWIPYMOSSA-N 444.988 5.075 30 10 IKEE Cc1ccc(-c2csc(N/N=C\c3cccc(OCc4ccc(Cl)cc4)c3)n2)cc1C 169940180 BSPWCFNOQROTSY-VYYCAZPPSA-N 447.991 7.105 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(N(C)C)cc2)cc1 169957012 LFXKLEKZBJMBPV-XMMPIXPASA-N 448.563 5.062 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2cccc(C)c2)c(C)c1 169970008 OMIJPFBDKKSYQF-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2cccc(C)c2)cc1 169972394 QLFGWENQUQDLOJ-DEOSSOPVSA-N 429.491 5.475 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccnc1 170009473 YUERSORZBNIGNF-HXUWFJFHSA-N 439.298 5.480 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccccc1 170049141 DAWMCNDFNMYJLM-XMMPIXPASA-N 441.527 5.776 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccc(F)cc2)cc1 170061778 SLUPCPSBOWWATK-HSZRJFAPSA-N 433.454 5.619 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccco1 170093760 RZGMEMALPKQOOU-LJQANCHMSA-N 443.377 5.090 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]2c2ccco2)cc1C 170093861 TXXBSXMZQNLNIP-HXUWFJFHSA-N 441.405 5.698 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)o1 170101935 LWRWHSSEYSPYKG-HSZRJFAPSA-N 435.907 5.652 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccn2)cc1 170182119 CAPRDJRFKVQZDC-HSZRJFAPSA-N 434.536 5.172 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1cccc(OCC)c1 170218144 IAIMEBJJJYEILN-QHCPKHFHSA-N 437.536 5.169 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cccc2ccccc12 170220772 QOLRRDSXCPAMFF-SANMLTNESA-N 439.555 6.097 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@H]1c1ccc(F)cc1 170243740 QZPWQNBQZOLVGU-OAQYLSRUSA-N 445.918 5.646 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1c[nH]c2ccccc12 170255410 XNEJLGCPFLPKPX-XMMPIXPASA-N 444.575 6.152 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(F)ccc3OC)[C@H]2c2ccc(C)o2)cc1 170300895 FSZAHQCVUGXRNS-JOCHJYFZSA-N 435.451 5.081 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(C)o1 170311154 OKIHRITUZBQRME-QFIPXVFZSA-N 449.478 5.131 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2sccc2C)c1 170319683 NPVKKGCMKOTJJU-GOSISDBHSA-N 431.941 5.239 30 10 IKEE CC(C)c1ccc(-c2cnc(CCC(=O)Nc3c(C#N)cnn3-c3ccccc3)o2)cc1 170571254 DQJRIPZYZPCQNU-UHFFFAOYSA-N 425.492 5.094 30 10 IKEE C=C(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)C(=O)C[C@@H](O)[C@@]34C)[C@@H]12 257514284 POKGESLRCWHPFR-ULHDAZMSSA-N 440.712 7.204 30 10 IKEE C=CCCCCC[C@@H](NCCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 406127514 ACFQNSPKTKYVFK-LJQANCHMSA-N 439.438 6.973 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526517527 UKHCTWMTBHIQKB-RUZDIDTESA-N 441.506 5.601 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1/N=C\c1ccc(OC(C)C)cc1 526802251 AQXUQFOCCBKKEP-MYYYXRDXSA-N 426.561 5.722 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1ccc(O)c([N+](=O)[O-])c1 526809384 JUSJKPIDPCEISD-QRVIBDJDSA-N 439.541 5.026 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1ccc(OCCC)cc1 526811549 NGQCSYFLECBLBH-ONUIUJJFSA-N 436.625 6.201 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1cn(C)c2ccccc12 526812688 IAWYBPCIRNIPJF-QFEZKATASA-N 438.000 5.940 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1ccccc1OC 526815333 YLZQSYHNVROWEC-FMCGGJTJSA-N 435.380 5.721 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1cn(C)c2ccccc12 526817130 PZIUEICJYOVZJY-QFEZKATASA-N 438.000 5.940 30 10 IKEE COc1ccc(Br)cc1[C@@H](C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 698405747 IRLQMSIUQZGAMD-GOSISDBHSA-N 431.330 5.460 30 10 IKEE COCc1cccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)c1 698482526 OTEYNLLBEBEVPC-IBGZPJMESA-N 431.330 5.602 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@]1(C#N)CCc2cc(Br)ccc21 698904522 RIFVCLCSFJOUQV-NRFANRHFSA-N 447.760 6.209 30 10 IKEE C[C@@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)CN1C(=O)OC(C)(C)C 698989424 MYSCQCCIUIUADE-WAIKUNEKSA-N 449.979 5.763 30 10 IKEE CCC(C)=NNc1nc2c(Cl)cc(NC(=O)c3ccccc3Cl)c(Cl)c2s1 1081382463 SFFKMJJPUOUQQV-UHFFFAOYSA-N 441.771 6.707 30 10 IKEE CC1(C)[C@H](/C=C(/Cl)C(F)(F)F)[C@H]1C(=O)/C=C/c1ccc(OC(F)(F)C(F)F)cc1 1616046857 RAEFVZKWZMVWIK-UOLKMPLWSA-N 444.774 6.463 30 10 IKEE C=CCN1C(=O)/C(=C\c2c(Cl)cccc2Cl)SC1=Nc1cccc(C(=O)O)c1 1772733649 CKBFHZHZJCJEMO-DJCXZETLSA-N 433.316 5.482 30 10 IKEE Cc1ccc(N=C2S[C@@H](CC(=O)c3ccc(C)cc3)C(=O)N2c2ccc(C)cc2)cc1 1772759887 DDCPFLOQKZCUJM-DEOSSOPVSA-N 428.557 6.021 30 10 IKEE N#Cc1cccc(Cn2c(-c3ccccc3Cl)nc3scc(-c4ccco4)c3c2=O)c1 1857803026 XFVNLDUTKCEDCN-UHFFFAOYSA-N 443.915 5.958 30 10 IKEE N#Cc1ccccc1NC(=O)c1cc(-c2cc(Cl)ccc2Cl)n(Cc2ccccc2)n1 1859391114 QAWAMJFAFRYWDQ-UHFFFAOYSA-N 447.325 6.029 30 10 IKEE CC(C)N(C(=O)c1ccccc1C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1859876484 YNZVFNAWTORDTG-UHFFFAOYSA-N 443.309 6.798 30 10 IKEE C=CCN(CC=C)C(=O)Cc1c(C)c2cc3c(-c4ccc(F)cc4)coc3cc2oc1=O 1860275592 FGDNMGDDFISFOJ-UHFFFAOYSA-N 431.463 5.397 30 10 IKEE N#Cc1cccc(C(=O)Nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc2Cl)c1 1860451696 VRQWFLKDMCSADF-UHFFFAOYSA-N 440.286 5.135 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@H](C)Sc2nc(O)c(C#N)c(-c3ccccc3Cl)n2)c1 1860826656 IGTYWLYZJVGQCR-AWEZNQCLSA-N 438.940 5.110 30 10 IKEE CCCCCCCCNC(=O)[C@H]1CCCN1C(=O)Cc1cc(Cl)ccc1SCC 1861009907 FNRUYAMAUIDSAA-HXUWFJFHSA-N 439.065 5.462 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2cccc(C)c2)cc1C 1862400709 KTERMBZDPXZXGJ-VWLOTQADSA-N 441.527 5.399 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(Cl)cc1 1862403320 SHWLWBNLLFOKNM-JOCHJYFZSA-N 441.955 5.816 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2ccc(C)cc2)c1 1862414041 QINUXQXUFZWMBO-QHCPKHFHSA-N 449.453 5.060 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@H]2c2ccc(O)cc2)cc1 1862474691 RUKHOWVLKBSBGJ-QFIPXVFZSA-N 433.891 5.133 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862476443 AAYDGAOKLCOTJL-RZPHLTDDSA-N 431.576 6.275 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862477130 IJMZQGNOHLEDNI-BVZFJXPGSA-N 436.511 5.816 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 1862478196 AUSJJVXBHPIVSV-CNDZOEFASA-N 434.492 5.060 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccccc1C 1862490524 XSAZGFFKWAYIHQ-BWKNWUBXSA-N 433.592 6.549 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(Cl)cc1 1862556708 COGOOHABJCVEOC-RBBKRZOGSA-N 440.971 5.859 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1ccc(C(C)C)cc1 1862572553 ITFWIJUGYRYHFZ-MWTRTKDXSA-N 437.536 5.204 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(F)cc1F 1862583952 NDKIBAGJLCNZOM-KRWDZBQOSA-N 426.246 5.260 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cccc([N+](=O)[O-])c1)c1cccc2ccccc12 1862653246 CNQNFCFIXCDKJB-QHCPKHFHSA-N 442.471 5.269 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1cccc(F)c1)c1ccc2ccccc2c1 1862715340 MDLSBADNXDYYQE-RUZDIDTESA-N 443.518 6.280 30 10 IKEE Cc1cc(C2=C(Nc3ccc(C)c(Cl)c3)C(=O)N(c3ccccc3C#N)C2=O)ccc1F 1863100546 SWSUMUTUBIZWOQ-UHFFFAOYSA-N 445.881 5.364 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccccc3C#N)C(=O)N(Cc3cccc(Cl)c3)C2=O)c1 1863408392 GRVFZQRGIIOYOX-UHFFFAOYSA-N 441.918 5.221 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2F)C(=O)N(CCCc2ccccc2)C1=O 1863646637 STYZNQMHRSOCEW-UHFFFAOYSA-N 436.571 5.489 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2Cl)C(=O)N(CCCOCCCC)C1=O 1863777552 HQKLOAZMUYBJKF-UHFFFAOYSA-N 449.035 5.577 30 10 IKEE CCCC[C@H](NC(=O)C[C@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866737716 CMYUSNDMUBUJFG-UIOOFZCWSA-N 447.623 6.125 30 10 IKEE C=CCOc1ccccc1OCC(=O)N1CCc2c([nH]c3ccccc23)[C@H]1C1CCCCC1 1868115007 DFYOSAXBSPUVSV-MUUNZHRXSA-N 444.575 5.818 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](CCCC)NC(=O)C[C@H](c1ccccc1)c1cccc(F)c1 1868722714 CLYPAOSHDWROMT-RPBOFIJWSA-N 436.571 5.223 30 10 IKEE CCCCCCCCn1cc(OCC(=O)Nc2cc(Cl)ccc2Cl)c(=O)cc1C 1870086332 CEEXLOKFHSQSII-UHFFFAOYSA-N 439.383 5.842 30 10 IKEE CCCCCCOc1ccc(C(=O)Nc2c(C#N)nnn2-c2ccc(F)c(Cl)c2)cc1 1870143801 CIZDZVABUQPLIW-UHFFFAOYSA-N 441.894 5.143 30 10 IKEE CCCCCCCCCCn1cc(OCCC)c(=O)cc1CSc1ccc(C)cc1 1870181337 KLLKRZKXNPFANV-UHFFFAOYSA-N 429.670 7.379 30 10 IKEE CCCCCCCCn1cc(OCc2cccc(C)c2)c(=O)cc1CN1CCC[C@H](C)C1 1870621335 WVQFLIHAZBEOJP-DEOSSOPVSA-N 438.656 6.328 30 10 IKEE CCCCCCCCCCn1cc(OCCCC)c(=O)cc1CN1CCC(N(C)C)CC1 1870662774 AOSONNCQEPWGGK-UHFFFAOYSA-N 447.708 5.694 30 10 IKEE C=CCOc1cn(CCCCc2ccccc2)c(CNc2ccc(C(C)(C)C)cc2)cc1=O 1870809460 DGSLZQMKUJUCIP-UHFFFAOYSA-N 444.619 6.346 30 10 IKEE CCCCCCCOc1cn(CC(C)C)c(CNc2ccc(CC)c([N+](=O)[O-])c2)cc1=O 1870832539 YPZQPGDYYSHLFF-UHFFFAOYSA-N 443.588 5.936 30 10 IKEE CCCCCCCOc1cn(CCN(CC)CC)c(CNc2cccc(OC)c2)cc1=O 1870837490 JDNUIVPBRKOFNR-UHFFFAOYSA-N 443.632 5.160 30 10 IKEE CCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CNc1ccccc1CC 1871258249 ORPSBWNVGZGNKE-UHFFFAOYSA-N 426.645 6.808 30 10 IKEE Cc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(CCc3ccc(C)cc3)C4)C2=O)cc1 1871359375 MREJNNDKNGJXIZ-QFEZKATASA-N 425.528 5.623 30 10 IKEE O=C(Cc1ccc(Cl)c(Cl)c1)Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O 1871376715 FGTHBFRPBBSIIH-FBHDLOMBSA-N 443.257 5.897 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)CC4CCCCC4)cc(C)c3C2=O)cc1OC 1871380609 XNTMHCWHPQQNJU-QRVIBDJDSA-N 436.504 5.504 30 10 IKEE O=C(/C=C/c1ccc(-c2ccccc2)cc1)Oc1ccc2c(c1)O/C(=C\c1ccccn1)C2=O 1871384062 WQELVGMJQRNQQY-HOMPUVQKSA-N 445.474 5.984 30 10 IKEE CCOc1ccccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccccc1C)C2=O 1871418427 SXFGBJISGHACHL-IWIPYMOSSA-N 443.499 5.336 30 10 IKEE CCCCCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O 1871426918 DMBRISDZTVHTKV-JMIUGGIZSA-N 435.303 5.722 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(O[C@@H](C)C(=O)Nc3c(C)cccc3C)cc(C)c2C1=O 1871431359 RGAKFVWOFDVKMR-CFKHXJFWSA-N 441.527 5.942 30 10 IKEE CCCCc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccccc2)C3=O)cc1 1871455172 LVYLCIMZOIQHDF-XYGWBWBKSA-N 427.500 5.663 30 10 IKEE Cc1cccc(COc2cc(C)c3c(c2)O/C(=C\c2cc(Cl)cc4c2OCOC4)C3=O)c1 1871455569 UHVGYAHFGPIXLF-RMORIDSASA-N 448.902 6.019 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1ccccc1CC)S(=O)(=O)c1ccc(Cl)cc1 1872475507 LFOJXJJHKMXGHL-QFIPXVFZSA-N 449.016 5.277 30 10 IKEE N#C[C@H](C(=O)CCCOc1ccccc1Cl)c1nc(-c2ccc3ccccc3c2)cs1 1872760404 NODONRHXUSWVLS-HXUWFJFHSA-N 446.959 6.652 30 10 IKEE Cc1c([N+](=O)[O-])cc(C(=O)[C@H](C#N)c2nc(-c3ccccc3Cl)cs2)cc1[N+](=O)[O-] 1872764618 SDZZWGPEPGGHPN-ZDUSSCGKSA-N 442.840 5.078 30 10 IKEE Cc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3cccc4ccccc34)cs2)cc1 1872775784 ZRMHGWFSUDXHQI-QHCPKHFHSA-N 426.541 6.307 30 10 IKEE CC(C)c1ccc(-c2csc([C@H](C#N)C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)cc1 1872776279 MKVGQSGJRZHSNM-GOSISDBHSA-N 436.449 5.240 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)COc2ccc(C)cc2C)n1 1872786748 RIUKKBKCAPGGSE-GOSISDBHSA-N 440.952 5.653 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCCCC)=C(c2c(C)cc(C)cc2C)C1=O 1873120501 PEKIEWLCDBJCQO-UHFFFAOYSA-N 426.645 6.222 30 10 IKEE CCCCCCCCCCNC1=C(c2cccs2)C(=O)N(C2CCCCCC2)C1=O 1873155930 MWQWHRROCRBDKU-UHFFFAOYSA-N 430.658 6.281 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(Cl)c(Cl)c2)=C(c2ccccc2)C1=O 1873415677 WZAXHCMZIJILJM-UHFFFAOYSA-N 445.390 6.546 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(CCCC)cc2)cc2c(NCc3ccncc3)ncnc21 1873618259 GXQJDGWVXRMALL-UHFFFAOYSA-N 440.551 5.219 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](C)Oc1ccc2c(CCC)cc(=O)oc2c1C 1873935370 NZNHXVZTKYIUFA-HXUWFJFHSA-N 429.601 6.078 30 10 IKEE C=CCSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1cccs1 1874198760 RGDBTJWILJWOBK-JJIBRWJFSA-N 434.590 5.665 30 10 IKEE Oc1ccccc1/C=N/n1c(CC2CCCCC2)nnc1SCc1ccccc1Cl 1874408450 XSBQMECSEIFDGW-MFKUBSTISA-N 441.000 5.934 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccccc2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874426252 YJCHVTASOQNZJE-ZVHZXABRSA-N 445.504 5.042 30 10 IKEE Cc1cccc(C)c1NC(=O)CSc1nnc(CC(C)(C)C)n1/N=C/c1cccs1 1874438422 VPDOJQZQMPSXIM-YDZHTSKRSA-N 441.626 5.158 30 10 IKEE O=[N+]([O-])c1cccc(/C=N/n2c(SCc3ccccc3F)nnc2C2CCCC2)c1 1874455827 MRDVEYSUVVFDII-YDZHTSKRSA-N 425.489 5.158 30 10 IKEE Oc1cccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C(F)(F)F)c1 1874462413 RRNSWDRCLDRERR-BRJLIKDPSA-N 428.439 5.330 30 10 IKEE COc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C2CCC2)cc1 1874498848 SLRFQZPABZNGPJ-WYMPLXKRSA-N 430.936 5.521 30 10 IKEE COc1ccc(OC)c(/C=N/n2c(C)nnc2SCc2c(Cl)cccc2Cl)c1 1874533533 NRHVTYPATKWPOR-LSHDLFTRSA-N 437.352 5.085 30 10 IKEE Sc1nnc(Cc2cccs2)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874560871 UEZNZLREKSIFBR-YDZHTSKRSA-N 440.981 5.334 30 10 IKEE COc1ccc(/C=N/n2c(S)nnc2[C@@H](C)c2ccccc2)cc1OCc1ccccc1 1874561540 WPEZHCGOHFDONU-PMFZIYJTSA-N 444.560 5.188 30 10 IKEE Cc1ccc(NC(=O)COc2cccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)c2)c(C)c1 1874592879 HMGSVVNQCHNMNX-RVDMUPIBSA-N 439.555 6.096 30 10 IKEE C=C(C)COc1c(OC)ccc(/C=C/C(=O)c2cc(OC)ccc2OC)c1Br 1874597077 SJPBHVASDIYJCG-RMKNXTFCSA-N 447.325 5.326 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OCC(=O)Nc1ccccc1 1874613135 DXOSNGYACFILGB-ACCUITESSA-N 435.907 5.652 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OCc2ccccc2)c(Br)c1 1874619805 UGCPUWKPMJAJTJ-PKNBQFBNSA-N 437.333 6.241 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)cc2)c(OC)c1 1874632616 MHBGFUKUXZVDRE-KPKJPENVSA-N 445.515 5.234 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1)c1cc(Cl)ccc1Cl 1874637860 VUGYSHFKSXCURZ-UXBLZVDNSA-N 428.271 6.377 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1cccc(/C=C/C(=O)c2ccc3ccccc3c2)c1 1874692591 OFZRTSVDAWOCNC-UKTHLTGXSA-N 442.898 6.617 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3c(C)ccc(C)c3C)c2)cc1C 1874696182 MGVNTJVWPSOBTM-ACCUITESSA-N 444.527 5.809 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1OC(=O)c1c(F)cccc1Cl 1874699937 UGQWMJXTIRRXRP-WEVVVXLNSA-N 446.808 5.881 30 10 IKEE O=C(CC12CC3CC(CC(C3)C1)C2)Oc1cccc(/C=C/C(=O)c2ccc(F)c(F)c2)c1 1874711309 YTODJRDTWGUICQ-QPJJXVBHSA-N 436.498 6.373 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OC(=O)c1ccc(N(C)C)cc1 1874713745 MAOSPJGWKRMUIS-VGOFMYFVSA-N 429.516 5.493 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3sccc3C)c(Cl)c2)cc1OC 1875099151 ZBJSMRJKXHZNBP-QPJJXVBHSA-N 442.920 5.842 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1Br 1875113680 SUVFZUQANWCGBO-ACCUITESSA-N 449.772 6.874 30 10 IKEE CCCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccc(C)cc2C)cc1OCC 1875133574 BCKMKJAJTMVFFD-PKNBQFBNSA-N 445.353 6.066 30 10 IKEE CN(C)c1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1 1875134112 KZPGCOSWBIQVPP-LHHJGKSTSA-N 440.326 6.175 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)cc2)c(Cl)c1)c1ccc(Cl)c(Cl)c1 1875135404 OUSLGTMYYPSECK-XLUWADSXSA-N 449.692 6.901 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2OC)c1 1875159505 RWBRBVSPQOCSLA-AWNIVKPZSA-N 434.463 5.277 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)CC(C)(C)C 1875181691 SHLFTRMDQVPJGJ-CMDGGOBGSA-N 428.956 6.512 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3cccc(Cl)c3)c(Cl)c2)c(C)c1 1875183073 JDKJFSIZHXRXAN-VQHVLOKHSA-N 439.338 7.034 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3)c([N+](=O)[O-])c2)cc1Cl 1875188977 RXUGKSIQWMAJIO-JXMROGBWSA-N 437.835 5.372 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc1 1875191932 LNJZMCYAOFRNGS-UKTHLTGXSA-N 436.891 5.401 30 10 IKEE N[C@@H](CC#CC1CCCCC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875689199 CQGONTARNIJBHI-NDEPHWFRSA-N 439.599 6.818 30 10 IKEE N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)[C@H](c3ccccc3)c3ccc(Cl)cc3)C2)c1 1891449200 GQQWKIGKENMSAA-CJFMBICVSA-N 445.950 5.056 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C=CC(=O)c2ccc(Cl)cc2Br)cc1 1898225386 RVKHOBVERZDSPH-UHFFFAOYSA-N 436.733 6.346 30 10 IKEE COc1cc(C)ncc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 1927183181 VWJULWVOYQVOON-QGZVFWFLSA-N 432.318 5.168 30 10 IKEE C=CCC[C@@H](C)[C@H](NCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 1996467089 MYPONGLPFDCMIZ-GGAORHGYSA-N 429.649 5.126 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@](C#N)(N(CC3CC3)C(=O)OC(C)(C)C)C[C@@H]21 2001953866 JLFGYLGKVHPJCP-IMWIBFENSA-N 433.593 5.095 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CN(Cc2ccccc2)C2(CCCCCC2)C1 2038912919 LQICXSHNQLEARU-WXVAWEFUSA-N 439.644 6.283 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)C1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2042146451 FKCJHHRUQYKPNJ-IRXDYDNUSA-N 447.551 5.352 30 10 IKEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2045241447 RRKPPOJFRNQWLZ-BXKMTCNYSA-N 447.551 5.497 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)c(C)cc1Br 2060545839 NGCAORICHAWCJB-AWEZNQCLSA-N 431.758 5.209 30 10 IKEE CC#CCCCC[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NC 2075367987 OFVYTLCRDNVHLZ-XMMPIXPASA-N 441.660 5.108 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)[C@@H]1C(C)(C)C 2076161202 JTLFXZDIWWZNDE-DFBJGRDBSA-N 449.636 5.874 30 10 IKEE C=CCN(C[C@@H](NCCC)c1ccc(Cl)cc1Br)C(=O)OC(C)(C)C 2077805974 OSGBCFLNPROKRW-QGZVFWFLSA-N 431.802 5.566 30 10 IKEE CCCc1ccc([C@@H](n2nc(C(C)(C)C)c(C=NO)c2Br)C2(C)CC2)cc1 2079878833 TZHYBEZKTQSYHM-LJQANCHMSA-N 432.406 6.093 30 10 IKEE CC(=O)Oc1ccc([C@H](C2CCC2)n2nc(C(C)(C)C)c(C#N)c2Br)cc1 2080079693 KQILVATUKKHFKL-SFHVURJKSA-N 430.346 5.130 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cccc(Br)c1Cl 2081383800 QRPXQTUAJDPQIP-NVXWUHKLSA-N 429.786 5.060 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1sc(Br)cc1C 2100760705 BKNSRZFUFUMTPA-AWEZNQCLSA-N 437.359 5.834 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)cc(Br)cc1F 2159129721 IUHDRTZKIRKLKO-SJLPKXTDSA-N 445.348 5.075 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H](CNc2cc(Br)cc(C#N)c2)C1 2162334367 PPTYWDOVCQUWPD-INIZCTEOSA-N 434.378 5.160 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCc2ccc(F)cc21 2163697179 OBRJDIDXVQVBOY-OAQYLSRUSA-N 431.305 5.695 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@H](C#N)c1c(F)cc(Br)cc1F 2170704560 NHMWUDCRJAKCJB-QGZVFWFLSA-N 443.332 6.252 30 10 IKEE CC(C)(C)C#CC(=O)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2218505282 FLLQMXCJXOUKSL-MHZLTWQESA-N 428.528 5.497 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)OC(C)(C)C 2223875112 KVYYGMHJIUZNDX-OJJQZRKESA-N 442.644 5.696 30 10 IKEE C=C(Cl)C[C@H](NCCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229124363 SESPMYKTEZUHAF-ZWKOTPCHSA-N 445.829 5.396 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)C1(NC(=O)OC(C)(C)C)CCCC1 2235730403 OOOPIZZYILWHBJ-LJQANCHMSA-N 435.406 5.006 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)[C@@H](CCC)CNC(=O)OC(C)(C)C 2235734825 XFZLQFSSILLZTB-ICSRJNTNSA-N 437.422 5.110 30 10 IKEE C=C(C)CCCC[C@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 2250135309 FFZZZOHJSMDGTB-DNQXCXABSA-N 432.649 5.991 30 10 IKEE C=C(C)CCCCC(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2250155866 HAJMYZJXFNDGDM-UHFFFAOYSA-N 428.617 5.642 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)c1cc(Br)c(C)s1 2262201983 GJCZSJBAPHCKJJ-LJQANCHMSA-N 425.344 5.124 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1cc(F)ccc1Cl 2268120130 RTNWJGVWQOSPLC-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE C=CC[C@@]1(COc2ccc(N)c(Br)c2)CCCN(C(=O)OC(C)(C)C)C1 2272151571 WBRFBQFWBATSSV-HXUWFJFHSA-N 425.367 5.004 30 10 IKEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1ccc(Br)cc1Cl 2278016564 SMNYHKKFHORBFR-OAHLLOKOSA-N 444.757 5.018 30 10 IKEE CN[C@@H](CC=CC#CC(C)(C)C)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2284138543 ZSFNXJPHBIKWKJ-IBGZPJMESA-N 435.406 6.052 30 10 IKEE Cc1cccc(COc2ccccc2C=C2SC(=Nc3ccccc3Cl)NC2=O)c1 2294064393 PXNFAZOJKPAVLI-UHFFFAOYSA-N 434.948 6.119 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](C[C@H](O)C#Cc1cccc(Br)c1)C1CCCCC1 2296220136 VHHKNMAVDYVMOX-UXHICEINSA-N 436.390 5.025 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@](C)(CCC)NC(=O)OC(C)(C)C 2296281850 PAVQIDJUBGAVQH-UGKGYDQZSA-N 437.422 5.252 30 10 IKEE O=[N+]([O-])c1ccc(C=CC=Nc2ccc3oc(-c4ccccc4Br)nc3c2)cc1 2297193190 KJUFOAQBWVFGPE-UHFFFAOYSA-N 448.276 6.581 30 10 IKEE Cc1ccc(OCCOc2ccc([N+](=O)[O-])cc2C=NNc2nc3ccccc3s2)cc1 2297730654 UPIASSOMIORTSM-UHFFFAOYSA-N 448.504 5.417 30 10 IKEE N#Cc1cn(C(=O)C=Cc2ccc(-c3ccc(F)cc3Br)o2)c2ccccc12 2314014002 KIMMONWNTOEEGP-UHFFFAOYSA-N 435.252 6.028 30 10 IKEE Brc1cccc(C=Nn2c(SCCc3ccccc3)nnc2C2CC2)c1 2320859299 KGXMKJDJAVGNHO-UHFFFAOYSA-N 427.371 5.135 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCc4ccc(Cl)c(Cl)c4)cc(C)c3C2=O)cc1 2321790260 KFNANGAZGJQQAV-UHFFFAOYSA-N 439.338 7.059 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1cccc(Cl)c1)O3)CN([C@@H](C)c1ccccc1)CO2 2322092336 HFRMFMIJHIHISE-KRWDZBQOSA-N 431.919 6.178 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(Cl)cc2C=CC(=O)c2ccccc2Cl)o1 2322436832 MXKORRHVMSMFRY-UHFFFAOYSA-N 445.298 6.238 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(F)cc2)c1OCC(=O)Nc1ccc(C)c(C)c1 2322748828 AOUBNHXSRAUEDK-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2cc(C)ccc2C)c(C)c1C 2322825109 YSDVVZOTXWNLRX-UHFFFAOYSA-N 434.963 7.057 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OC(=O)c4cccc5ccccc45)c3C)C2=O)cc1 2323481638 LHPCFEINLHZAKD-UHFFFAOYSA-N 434.491 6.546 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OCC(=O)Nc1c(C)cccc1C 2323813605 GZROCVLIRQCFEH-UHFFFAOYSA-N 429.516 5.616 30 10 IKEE Cc1cc(O)c(CN2CCC[C@H](C)C2)c2c1C(=O)C(=Cc1ccc(Br)cc1)O2 2324066780 CMVKWTVGFDPACA-AWEZNQCLSA-N 442.353 5.311 30 10 IKEE O=C1C(=Cc2cccc(Br)c2)Oc2cc(OCCCc3ccccc3)ccc21 2324268994 QVZVUKYMHVSREG-UHFFFAOYSA-N 435.317 6.077 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OCc3cccc(Cl)c3)c([N+](=O)[O-])c2)c1C 2324349092 QCPWMZFBGCWXNA-UHFFFAOYSA-N 449.934 6.957 30 10 IKEE COc1cccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4C)ccc3C2=O)c1 2324406355 KXJARSLFIDEYED-KRWDZBQOSA-N 429.472 5.026 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2cccc(C)c2)C3=O)cc1 2324490727 GUASMHFKHJWRCO-LJQANCHMSA-N 441.527 5.888 30 10 IKEE Cc1ccc(OCCCOc2cc(C)c3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1 2324545774 FMRMAZBAWXJJFU-UHFFFAOYSA-N 426.512 6.324 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OCC(=O)Nc3cccc(C)c3)cc2)cc1C 2324628280 XVSYACQJCKHSDU-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCc4ccccc4)c3C)C2=O)c(OC)c1OC 2324844609 MXEYAEQSOMZJQB-UHFFFAOYSA-N 432.472 5.216 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@@H](C#N)C(=O)C=Cc2ccccc2Cl)n1 2324847629 JAECUMFKCABZOK-INIZCTEOSA-N 429.328 6.015 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccccc2[N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 2325709932 YROYHFKXENOPDT-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(F)c(F)c3)c2)cc1C 2325713770 PPSBATVCMVYXRD-UHFFFAOYSA-N 438.426 5.406 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1cccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)c1 2325722161 WKOVWDVRBYXKEB-UHFFFAOYSA-N 437.451 5.792 30 10 IKEE O=C(Cc1cc(Cl)ccc1Cl)Oc1cccc(C=CC(=O)c2ccc(F)cc2F)c1 2325725938 XIVBHOKSCLPRDZ-UHFFFAOYSA-N 447.264 6.316 30 10 IKEE COc1ccccc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O 2325736203 LYIGPUNQQHAMQB-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OC(=O)COc1ccc(C)c(C)c1 2325739946 ZPGNZZNDKBCWBM-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE CCCOc1cccc(C=Nn2c(CCCOc3ccc(CC)cc3)nnc2SC)c1 2326295303 GPXNEWRWPXRYAU-UHFFFAOYSA-N 438.597 5.245 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccccc1C(F)(F)F 2326357994 IYPLCWURWAVPAN-UHFFFAOYSA-N 438.906 6.077 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccc(C)cc3)n2N=Cc2ccncc2)CC1 2328106905 VLXVHOFLGYDFCN-UHFFFAOYSA-N 447.652 6.620 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccc(C)c(C)c3)n2N=Cc2cccnc2)cc1 2328922117 XYTKVCNKRGDYCK-UHFFFAOYSA-N 441.604 5.558 30 10 IKEE Cc1ccc(C=Nn2c(Cc3ccccc3F)nnc2SCc2ccccc2F)cc1 2329745749 XAUCIDIWYYIVET-UHFFFAOYSA-N 434.515 5.630 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccccc1 2330132509 YIWXGLCKMBNVJF-SFHVURJKSA-N 432.980 6.258 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Br)cc2)cc(Cl)c1OC(=O)CC 2330889583 RMEZABXFAUCFLS-UHFFFAOYSA-N 437.717 5.713 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1)c1ccccc1Cl 2330911226 XDZZNDVSOOMFCT-UHFFFAOYSA-N 446.886 5.602 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2OC)cc(OC)c1OC(=O)CC1CCCCC1 2331079436 WNMMILPMKUENCO-UHFFFAOYSA-N 448.559 6.204 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)C3CC3)c(OCC)c2)cc1 2331305956 SARKQPOZORWZAW-UHFFFAOYSA-N 428.912 5.739 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1N=Cc1cc(Cl)ccc1O 2331337789 AAXYNZGFBDNLCI-UHFFFAOYSA-N 435.380 5.808 30 10 IKEE CCc1ccc(C=Nn2c(CC(C)C)nnc2SCC(=O)Nc2ccc(C)c(C)c2)cc1 2331430662 PWAJGTZPEVJPOO-UHFFFAOYSA-N 449.624 5.269 30 10 IKEE CC(C)Cc1nnc(SCc2cccc(F)c2)n1N=Cc1ccccc1OC(C)C 2331443427 LTYRCEHAVDXLGW-UHFFFAOYSA-N 426.561 5.577 30 10 IKEE N#Cc1c(Cl)cccc1OCc1cc(I)ccc1Br 2341769537 WHRRVMRDZUVVRT-UHFFFAOYSA-N 448.485 5.158 30 10 IKEE CCCCCCCC[C@H](NC)[C@H](O)c1sc(Cl)cc1I 2366653315 OGWKXFMVKBSLEX-JSGCOSHPSA-N 429.795 5.378 30 10 IKEE CC(C)(C#Cc1ccc([C@@H]2SCCN2C(=S)Nc2ccc(Cl)cc2)s1)CO 2727539 NZHMPFVKDZOPRQ-SFHVURJKSA-N 437.055 5.216 30 10 IKEE Cc1cc(C)cc(NC(=S)N/N=C2\C(=O)N(Cc3cccc(Cl)c3)c3ccccc32)c1 3041550 SRQYKYZOVVUVDJ-QYQHSDTDSA-N 448.979 5.194 30 10 IKEE CC(=O)c1cc(C)c(C)cc1NC(=O)/C(=N\c1ccc(C)c(C)c1)C(=O)c1cccs1 20138850 PSWXQESTVXIHFM-RWEWTDSWSA-N 432.545 5.778 30 10 IKEE CC(C)Oc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(C(F)(F)F)cc2)cc1 21224354 CFLTXRGVFVGTFV-YLJYHZDGSA-N 443.465 5.497 30 10 IKEE CCn1nc(C)c(CN/C(=N\C(=O)c2ccccc2Cl)Nc2ccc(C)cc2C)c1C 32972149 XGOYKDPGBNEWFW-UHFFFAOYSA-N 437.975 5.188 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC(=O)c3ccccc3C)cc2)cc(OC)c1OC 34954251 JNJQSTNNZROVBI-NTEUORMPSA-N 432.472 5.136 30 10 IKEE C=CCOc1ccc2ccccc2c1/C=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 35087405 VVFSOUCFJSKHDW-LHLOQNFPSA-N 430.507 6.239 30 10 IKEE CCOc1cc(C)c(/C=C2\S/C(=N/c3ccc(C(=O)O)cc3)N(C)C2=O)cc1C(C)C 35656325 NMKRWQHYCVCXCI-CQJVDGAYSA-N 438.549 5.449 30 10 IKEE C=CCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cc(C)ccn2)c1 39838173 GVLVCSSVGWSADN-XMMPIXPASA-N 438.483 5.119 30 10 IKEE CCn1cc(/C=C2\Oc3c(ccc4c3CN(Cc3ccncc3)CO4)C2=O)c2ccccc21 41662162 LEZJTMONNKDKGY-MXAYSNPKSA-N 437.499 5.025 30 10 IKEE CCCCOc1cccc([C@@H]2C(C(C)=O)=C(C)Nc3nc(SCc4ccccc4)nn32)c1 54644175 WBAKQVIJRNPPPC-HSZRJFAPSA-N 448.592 5.627 30 10 IKEE Cc1ccc(/N=C2/S/C(=C/c3ccc4c(c3)OCO4)C(=O)N2c2ccc(C)cc2)cc1 100138398 QEPHNXKTLMAJFR-HRRUJZEASA-N 428.513 5.841 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)S/C1=N/c1nc(C)cs1 101129136 XOMOJBVNVXMYKE-JFDXAFBFSA-N 449.601 5.963 30 10 IKEE CCCCCCCCCCn1c(CCCNC(=O)c2ccccc2OC)nc2ccccc21 102150187 APKDNPUBGSXZRM-UHFFFAOYSA-N 449.639 6.548 30 10 IKEE CCCCCCCCCCCn1c([C@@H]2CC(=O)N(C3CCCCC3)C2)nc2ccccc21 102212701 MWSXTBNNKUWKNK-HSZRJFAPSA-N 437.672 7.216 30 10 IKEE C=CCN1C(=O)C[C@@H](C(=O)Nc2cccc(Cl)c2)S/C1=N/c1ccc(Cl)cc1 104912735 FVIBBWJCCMJIIH-OVJLLXBISA-N 434.348 5.140 30 10 IKEE Cc1cccc(N/C=C2\C(=O)c3sccc3N(Cc3ccc(Cl)cc3)S2(=O)=O)c1 105336650 LHZZYHSNRRJNJX-XDHOZWIPSA-N 444.965 5.196 30 10 IKEE COc1cc(/C=N\Nc2nc3ccccc3[nH]2)ccc1OCc1ccc(C(C)(C)C)cc1 169899952 NUADKBSRSDUECK-YUMHPJSZSA-N 428.536 5.894 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CCC)cc1 169976099 MOXNVPIEFMAGFA-QHCPKHFHSA-N 437.536 5.253 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(O)c(Cl)c1)c1cc2ccccc2o1 170040817 PYRRLIXCACQCRI-QFIPXVFZSA-N 445.858 5.575 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(O)c(Cl)c2)cc1C 170042058 ZHDCRSFOJBFVKR-JOCHJYFZSA-N 439.939 5.573 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccccc1F 170071149 TVPCIOVOLXUIPZ-HSZRJFAPSA-N 435.882 5.581 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2c[nH]c3ccccc23)cc1C 170073606 QCLXPVFWYOMPKO-DEOSSOPVSA-N 440.474 5.707 30 10 IKEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccco1)c1c[nH]c2ccccc12 170098005 NHIJCVHJQORJED-HXUWFJFHSA-N 441.468 5.154 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2C2CCCCC2)c1 170119253 WPTUCOVGPYHAFM-QHCPKHFHSA-N 431.488 5.352 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(O)cc1)c1cccc2ccccc12 170135615 GNBFDGGSVHYNKJ-DEOSSOPVSA-N 427.500 5.456 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@@H]1c1cccc(C)c1 170147532 GNNKVNNEUVPNNS-NRFANRHFSA-N 427.928 5.426 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccccc1OC(C)C 170151019 AUANQUCLCHMAHP-BXKMTCNYSA-N 449.547 5.176 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2cccs2)cc1 170157080 HUUJITSYDZKNEC-HSZRJFAPSA-N 445.540 5.418 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2cccs2)c1 170158513 GERQEIWRYSSQRQ-DEOSSOPVSA-N 439.536 6.301 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)c(Cl)c2)[C@@H]1c1cccs1 170164968 DDHJJDVYVOFTSL-INIZCTEOSA-N 440.348 5.442 30 10 IKEE Cc1ccc(NC2=C(c3ccc(OC(C)C)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170173287 JSFZEHIJXNGGLT-UHFFFAOYSA-N 437.499 5.051 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)cc(OC)c3o2)[C@@H]1c1ccccc1F 170253034 QTGYPUQGONSWBE-IBGZPJMESA-N 443.858 5.222 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2cccc(O)c2)cc1 170259533 QNZUPEBFFZWZHF-VWLOTQADSA-N 435.479 5.637 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1C 170275273 DDSYXLPJNYMJEE-JOCHJYFZSA-N 439.939 5.568 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2ccco2)c(C)c1 170289523 RRYIDLBNOCRBSV-HSZRJFAPSA-N 429.472 5.004 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H](C)C2(c3ccc(Br)cc3)CC2)c1 170294899 XDLZHRLSYRXIRM-KRWDZBQOSA-N 441.413 6.137 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccc(C)o2)c1 170300432 QQQBJZZWBKZBEO-NRFANRHFSA-N 437.879 5.341 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1c(C)[nH]c2ccccc12 170312387 PLEJAUDCGUXWHE-JOCHJYFZSA-N 448.906 5.864 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 170375132 VCHHSCMGVWZLQF-FQEVSTJZSA-N 442.273 5.915 30 10 IKEE COc1ccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(C(C)C)cc2)cc1OC 170433734 PUYOYTRPYFOMIH-JOCHJYFZSA-N 437.536 5.342 30 10 IKEE CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(Oc3ccccc3)cc2)[C@H]1c1ccc(O)cc1 170450089 FSRYXDVDKWZDGA-QHCPKHFHSA-N 429.472 5.310 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)CC23CC4CC(CC(C4)C2)C3)nc2ccccc12 170536873 YJVQUKDDPXWRIY-UHFFFAOYSA-N 425.536 5.146 30 10 IKEE CCCCCCCCCC[C@@H](CCCCCCCC)CO[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O 207639654 UZLPXVWSLFHDJE-NHTNDUFYSA-N 430.670 5.340 30 10 IKEE O=C(/C=C/C=C\c1ccccc1)C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21 221028998 IHJRFJPQJFYAPL-FGLVJAMNSA-N 443.930 5.303 30 10 IKEE C=CCN1C(=O)[C@@H](Cc2ccc(SC(F)F)cc2)SC1=Nc1ccc(C(=O)O)cc1 254739981 HBKZEXDNNIEMKH-QGZVFWFLSA-N 448.516 5.060 30 10 IKEE O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC(=S)N1N=Cc1ccccc1 254880430 ZTITUMAIGNCSEU-ZVIZHOBCSA-N 435.486 5.090 30 10 IKEE CC(C)(C)c1csc(-c2ccc(C=NOC(=O)c3cccc(C(F)(F)F)c3)cc2)n1 254905430 WLBUJKHTBFEBOU-UHFFFAOYSA-N 432.467 6.317 30 10 IKEE N#Cc1ccc(Cl)cc1Nc1ccc(I)c(Br)c1 310826751 IBVBUUMYFVMDEJ-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1/N=C\c1cc(Cl)c(O)c(Cl)c1 526799688 IUTMMSKLMOUSJH-FMCGGJTJSA-N 435.380 5.808 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)NC2CCN(C(=O)N[C@H]3CCCC[C@H]3C)CC2)c1 585910087 CJDDLNFQANKMGW-XXBNENTESA-N 440.632 5.007 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)OC2CCC(NC(=O)C(CC)CC)CC2)cc1 586506158 GXLOJNAQGAWHAG-UHFFFAOYSA-N 437.646 5.378 30 10 IKEE CC(C)(C)OC(=O)N(C[C@H]1CCCO1)[C@H](C#N)c1cc(Br)ccc1Cl 698469161 GFYBVTSHCSTNFI-CZUORRHYSA-N 429.742 5.083 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 698971507 CTDGXHJKIKMMAS-DEOSSOPVSA-N 432.495 6.411 30 10 IKEE c1ccc(CN(Cc2ccccc2)C2(C/N=C3/N[C@H](C4CCCCC4)CS3)COC2)cc1 705690674 BHKXOOAWBROQKN-VWLOTQADSA-N 449.664 5.099 30 10 IKEE CCCCCCCC[C@H](NCC)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 707885167 HXGUIGPWBKWFSW-YFNKSVMNSA-N 434.665 6.214 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C#N)(CCOc1cccc(Br)c1)C2 712808270 UVXUWQFPUIVNCC-IRXDYDNUSA-N 435.362 5.290 30 10 IKEE O=C(Nc1ccccc1)c1c(N=Cc2cccc(Cl)c2Cl)sc2c1CCCC2 1084406856 MHEAENAEUYQRJA-UHFFFAOYSA-N 429.372 6.937 30 10 IKEE O=C1NC(=NN=Cc2ccc(-c3ccccc3Cl)o2)S[C@@H]1Cc1cccc(Cl)c1 1772742536 WPFVCIYPURJOEZ-LJQANCHMSA-N 444.343 5.418 30 10 IKEE Cc1cccc(NC(=S)N/N=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c1 1857810760 DLZVJKXXERMLAR-YSMPRRRNSA-N 429.524 5.307 30 10 IKEE C=CCN(CC=C)C(=O)Oc1cccc2c(NC(=O)Cc3c(F)cccc3F)cccc12 1858954709 PQTKFSZIGBXPSR-UHFFFAOYSA-N 436.458 5.472 30 10 IKEE CCCOc1cc(-c2nc3ccc(C(=O)Nc4ccc(C#N)cc4)cc3[nH]2)ccc1OC 1859441559 RPTAVQZOQIGAJS-UHFFFAOYSA-N 426.476 5.151 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1C(F)(F)F 1861046712 GEBJZWZBUWJWNE-JOCHJYFZSA-N 448.529 5.523 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(OC)cc1OC 1861057161 JNYIQNIBJRFDRG-QFIPXVFZSA-N 434.621 5.105 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@H]1c1ccc(N(C)C)cc1 1862395026 MUGUKKKFRYXRGV-RUZDIDTESA-N 448.607 5.864 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(C)cc1 1862413202 XUBFOKFAKLHRDX-WMZHIEFXSA-N 441.518 6.210 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccc2ccccc12)c1ccccc1Cl 1862435525 XUGAISKRLNVDSY-QHCPKHFHSA-N 443.886 5.865 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCCC2)cc1 1862445718 BWXLICLYWKKZKQ-HSZRJFAPSA-N 437.967 6.374 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccc(O)cc2)cc1 1862529147 BVOJGDXSZWWXKY-DEOSSOPVSA-N 431.532 5.423 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CC(C)C)cc1 1862582010 UMTAQMXTWGSZBS-FQEVSTJZSA-N 432.347 5.790 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2ccco2)c1 1862664449 JHXKCVDVUHQGFM-XMMPIXPASA-N 445.515 5.580 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCC(C)C)c1 1862695885 KBXZPIROLFBHPT-QHCPKHFHSA-N 437.536 5.108 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc2cc[nH]c2c1)c1ccc2ccccc2c1 1862715651 XDDTUKLONKHKOO-VWLOTQADSA-N 436.511 5.842 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(OC)cc1 1862725619 NLXVUGJRYWWFTC-IQGLISFBSA-N 441.527 5.739 30 10 IKEE CCCOc1ccc(NC2=C(c3ccc(C)cc3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862905186 AMYBPOGPGHYEGU-UHFFFAOYSA-N 437.499 5.052 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C(C)C)cc2)=C(c2cc(C)ccc2C)C1=O 1863400708 SDBAESHZSZWRDG-UHFFFAOYSA-N 446.635 6.979 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3cc(C)ccc3C)C2=O)cc1 1863401548 ASBQMJVOJMYVKE-HXUWFJFHSA-N 449.554 5.691 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(C)ccc2C)=C(c2ccccc2OC)C1=O 1863424065 OHPVADULHIEIEJ-UHFFFAOYSA-N 434.580 5.865 30 10 IKEE CCCCCCCCN1C(=O)C(NCCc2ccc(C)cc2)=C(c2ccc(C)c(C)c2)C1=O 1863607942 PFXBNSVOVRUEKQ-UHFFFAOYSA-N 446.635 5.885 30 10 IKEE CCOC(=O)c1sc(NC(=O)c2ccc(-c3ccc4cnccc4c3)cc2)c(C#N)c1C 1866180288 RYXGUSVPHYPPQS-UHFFFAOYSA-N 441.512 5.572 30 10 IKEE Cc1ccccc1-c1nc(Nc2ccc(C#N)cc2)cc(N2CCO[C@H](c3cccnc3)C2)n1 1868310583 ARWAYYUKBMBNRC-DEOSSOPVSA-N 448.530 5.040 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)Nc2ccc(C)c(C)c2)c(=O)cc1C 1870087209 LXKDDXDIZICNDT-UHFFFAOYSA-N 426.601 5.932 30 10 IKEE C=CCn1cc(OCCOc2cccc(C)c2)c(=O)cc1CSc1ccc(Cl)cc1 1870217473 NVXGLROWJVGLBG-UHFFFAOYSA-N 441.980 5.746 30 10 IKEE C#CCOc1cn(Cc2cccc(C)c2)c(CNc2ccc(OCCCC)cc2)cc1=O 1871004602 OADABRGNJZIIRU-UHFFFAOYSA-N 430.548 5.008 30 10 IKEE C=CCn1cc(OCc2cccc(OC)c2)c(=O)cc1CNc1cccc(C(F)(F)F)c1 1871054695 NAUSZXYAKLSNJA-UHFFFAOYSA-N 444.453 5.253 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)cc2Cl)c(=O)cc1CNc1ccccc1C 1871250036 LBFKRQDGZDRXGH-UHFFFAOYSA-N 429.347 5.841 30 10 IKEE COc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(CCc1ccc(F)cc1)C3 1871344278 BLVQEKNBPWDYJY-OYKKKHCWSA-N 445.490 5.154 30 10 IKEE Cc1ccc(OCC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871370247 VNROXKOWTIXDLL-UUYOSTAYSA-N 434.875 5.557 30 10 IKEE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871377102 VAYKEKGYJLBBKH-DIBFYORYSA-N 446.886 5.892 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OC(=O)/C(Cl)=C/c3ccccc3)ccc2C1=O 1871377254 BXCNONZJVTVWCD-WBWJRUQASA-N 446.886 5.887 30 10 IKEE Cc1c(OC(=O)CCOc2ccccc2)ccc2c1O/C(=C\c1cccc(Cl)c1)C2=O 1871384117 QGOMWUDAWBWDFK-JCMHNJIXSA-N 434.875 5.639 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(OC)cc2)C3=O)c1 1871389124 UWOIKPYBHIZTDA-OYKKKHCWSA-N 428.440 5.095 30 10 IKEE CCCCCCCCCOc1cc(C)c2c(c1)O/C(=C\c1cn(CC)c3ccccc13)C2=O 1871429467 IMCPWJLNXITDQX-IMRQLAEWSA-N 445.603 7.715 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(O[C@@H](C)C(=O)Nc3ccc(C#N)cc3)c2C)C1=O 1871435924 HAVNBWUCDVGKBI-SMNNTEATSA-N 438.483 5.197 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)c(Cl)c1)C(C)C)S(=O)(=O)c1ccc(C)cc1 1871789718 GXTBHKRKBCMDLM-JOCHJYFZSA-N 449.016 5.187 30 10 IKEE N#C[C@@H](C(=O)/C=C/c1ccc(Cl)cc1Cl)c1nc(-c2cccc(Cl)c2)cs1 1872766510 KLIUHBPFKVJKCF-YERXGYGTSA-N 433.747 6.660 30 10 IKEE N#C[C@@H](C(=O)CCCOc1ccccc1Cl)c1nc(-c2c[nH]c3ccccc23)cs1 1872777451 OCOBNJWSWAYHHG-INIZCTEOSA-N 435.936 5.980 30 10 IKEE COc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(C)c(C)c3)cs2)c(C(C)(C)C)c1 1872782391 ITQAQRXNGGQILU-HXUWFJFHSA-N 448.588 5.988 30 10 IKEE COc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)c(OC)c1 1872785463 NJZVPVJBASCIOY-OAQYLSRUSA-N 448.588 5.852 30 10 IKEE COc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)c(OC)c1 1872786827 TVZVIOAQVMYLSZ-JCOOBLOPSA-N 432.545 5.642 30 10 IKEE N#Cc1ccccc1NC(=O)[C@@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 1873868847 UHRQLXMNTPSNTF-VWLOTQADSA-N 435.527 5.249 30 10 IKEE C=CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccc(F)cc1F 1874217706 HRUBRISISNOHJM-OPEKNORGSA-N 448.926 5.566 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(CC23CC4CC(CC(C4)C2)C3)nnc1SC 1874241903 FIFINCMKMGNDBK-JVWAILMASA-N 446.620 5.803 30 10 IKEE CCCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(O)c(OCC)c1 1874271408 USZBJVSQLUOUGW-YZSQISJMSA-N 446.576 5.511 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCC)nnc2C2CCC(CCCC)CC2)cc1 1874284903 DWKQHXPWOPVMCN-LGUFXXKBSA-N 442.673 6.915 30 10 IKEE COc1ccccc1CCc1nnc(SCc2ccccc2)n1/N=C/c1ccc(F)cc1 1874314299 MJEVHFZSZDUMFT-WPWMEQJKSA-N 446.551 5.386 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccc(O)cc2)c(C)c1 1874327479 PWCUHLFYJJUJJW-CVKSISIWSA-N 444.560 5.354 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3C)n2/N=C/c2ccccn2)cc1C 1874329147 YPBSQZHNGWRNQD-OGLMXYFKSA-N 441.604 5.558 30 10 IKEE COc1ccc(/C=N/n2c(CCc3cccs3)nnc2SCc2cccc(C)c2)cc1 1874370102 IKRHUMKDSFMXLL-PCLIKHOPSA-N 448.617 5.616 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccccc3C)nnc2[C@H](C)c2ccccc2)cc1 1874392167 GAVMHINEPPMFTH-AYQSFACRSA-N 442.588 5.921 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2cc(C)ccc2C)nnc1[C@@H]1CCCO1 1874450901 MXWLEPYIJMSJJD-LRULAXNGSA-N 448.592 5.486 30 10 IKEE Clc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2-c2ccco2)cc1 1874467400 HKXPLXOFIZMNFX-FSJBWODESA-N 429.332 6.019 30 10 IKEE CCCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccc(F)cc1 1874478972 BIHSUIGBGCKDRE-WYMPLXKRSA-N 437.371 6.241 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(O)c(OC)c1 1874481309 WTEZSVXJXLYBJP-WYMPLXKRSA-N 448.951 5.302 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCc3ccccc3C)nnc2C2CCC2)cc1 1874494870 JAOHUSJOJACXSH-YZSQISJMSA-N 434.609 6.207 30 10 IKEE O=[N+]([O-])c1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C2CCC2)cc1 1874498308 BBNUOMTWFPOQCD-FOKLQQMPSA-N 445.907 5.421 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C(C)C)cc1 1874514914 MAODGVDMBWBSOL-WYMPLXKRSA-N 432.952 5.767 30 10 IKEE COc1cc(/C=N/n2c(SCc3ccccc3C)nnc2C2CC2)ccc1OC(C)C 1874516127 HXJSKPWHIRHZNO-AFUMVMLFSA-N 436.581 5.434 30 10 IKEE Clc1cccc(CSc2nnc(C3CC3)n2/N=C/c2ccc(Br)cc2)c1 1874520662 SRSHNBDOEGTYBC-SSDVNMTOSA-N 447.789 5.746 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccccc1OCC(=O)Nc1cccc(C)c1C 1874581309 HGFUEFWVIROAPS-BUHFOSPRSA-N 429.516 5.534 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)c1OCc1ccc(F)cc1 1874591983 MDGFYCHEIDENNH-FOWTUZBSSA-N 442.486 6.471 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OCC(=O)Nc2cccc(C)c2C)c1 1874597213 ZUKXYSKPIXMDTL-OUKQBFOZSA-N 429.516 5.534 30 10 IKEE CCCOC(=O)COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OC 1874598158 WYSDOBANCCBGIW-DHZHZOJOSA-N 440.536 5.229 30 10 IKEE C=CCOc1c(Br)cc(/C=C/C(=O)c2ccc3ccccc3c2)cc1OCC 1874602854 COLHNIKFZROEAL-FMIVXFBMSA-N 437.333 6.462 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)cc1C 1874607633 XJJJBQQJFSVFPZ-GXDHUFHOSA-N 429.516 5.534 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 1874616788 SHZOZXDDYUFWLA-IZZDOVSWSA-N 427.327 6.786 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)c1 1874619159 MLBZWUCJTUUXLP-JXMROGBWSA-N 443.326 6.486 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)[C@H](C)c3ccccc3)c(OC)c2)cc1 1875103529 CXCXOHAHJGKZBN-NKAIQICCSA-N 448.946 6.516 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)c3ccccc3)c(Cl)c2)cc1 1875107047 XOXJRGQBEOKJEX-XMJIKXADSA-N 446.974 7.288 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)c1ccco1 1875124693 XSKYCWDFLXOJNZ-CMDGGOBGSA-N 431.271 6.100 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1)c1ccccc1 1875126796 CMVIMUSHWNAMKM-WUXMJOGZSA-N 441.361 5.729 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)c1ccc(-c2ccccc2)cc1 1875129283 SVSNPUJZMHAMCU-LDADJPATSA-N 434.491 6.478 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1 1875129598 KPEWWRYZZZABSL-LFYBBSHMSA-N 430.544 6.103 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)COc1ccc(C)cc1C 1875133793 CFDJDXYJBBGJGG-DHZHZOJOSA-N 444.527 5.809 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3cccc(Cl)c3)c([N+](=O)[O-])c2)c1 1875139729 XOQBLTOONHNUMM-CSKARUKUSA-N 435.863 5.980 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C(F)(F)F)cc3)cc2)ccc1F 1875141168 QOYPUDLEBHPMOG-YIXHJXPBSA-N 428.381 6.268 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)Cc1cccs1 1875150535 SBESDTCCSMGKCC-NTUHNPAUSA-N 434.557 6.098 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2[N+](=O)[O-])cc1C 1875150757 CWMUHXLNJUYZFR-XBXARRHUSA-N 445.427 5.056 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1ccc(F)c(F)c1 1875157164 QXDPXSBIXYGBGC-UUILKARUSA-N 436.454 6.212 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)c1ccccc1F 1875159684 JWSGKRJXJSTIIX-KPKJPENVSA-N 442.845 6.132 30 10 IKEE COCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc1Cl 1875160865 NCOJLNZURNMHCN-RMKNXTFCSA-N 430.928 5.484 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OCC(C)C)cc3)cc2)cc1C 1875175717 CINWCTYCEXMTFC-LZYBPNLTSA-N 428.528 6.454 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)cc2)cc1C 1875175797 HMOXPGRHYLZPPO-RIYZIHGNSA-N 444.487 5.393 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(-n4cccc4)cc3)cc2)c(C)c1 1875182635 MZXOAGIXSJYAIZ-OVCLIPMQSA-N 435.523 6.518 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1ccc(N(C)C)cc1 1875184959 ZBANNGHYJICJLQ-NTUHNPAUSA-N 443.543 5.802 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)c1cccc(C)c1 1875185904 UWBBOCLLWGCMIA-SDNWHVSQSA-N 442.555 6.725 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc(OC)c1OC(=O)C(C)C 1875190803 RHUUXHYOTKNGHM-ZRDIBKRKSA-N 434.488 5.323 30 10 IKEE N#Cc1cccc(NC(=O)NCCSc2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)c1 1891900354 JYVMBHLUVJJHPK-UHFFFAOYSA-N 446.963 6.274 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](O)c1ccccc1NC(=O)OC(C)(C)C 1922057341 LAOUOYAGBKOATQ-ZEQRLZLVSA-N 440.584 5.208 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(F)F 1922097438 ASPYENFOJDOHCM-LEWJYISDSA-N 438.559 5.020 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](O)c1cccc(OCc2ccccc2)c1 1922102207 GOBGJQVECNAFED-IZLXSDGUSA-N 431.576 5.440 30 10 IKEE CCCCCCCNc1cc(Br)c(Br)c(Br)c1 1946432588 LYOWCOWVFHUDER-UHFFFAOYSA-N 428.006 6.356 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@]1(C#N)CCCC[C@]12CCN(C(=O)OC(C)(C)C)C2 1950307483 NKOJFMNQRUMBGG-RPWUZVMVSA-N 435.609 5.343 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CN(C(=O)OC(C)(C)C)CC[C@@H]1C 1999948336 XNUMFOFFNZGUAZ-MHECFPHRSA-N 429.561 5.276 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@]12CC[C@@H]1CN(C(=O)OC(C)(C)C)C2)NCCC 2026367965 YLPYHOVAFCNZQN-UMFSSWHCSA-N 428.617 5.165 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(C)s2)cc1 2033813998 XPWGOCVKOCEARQ-FQEVSTJZSA-N 439.558 5.295 30 10 IKEE O=C(C=Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc(Cl)c([N+](=O)[O-])c1 2053589201 YNYGOQGWNKVQHV-UHFFFAOYSA-N 442.786 5.984 30 10 IKEE Cc1nc2cc(Cl)ccc2c(-c2ccccc2)c1C(=O)C=Cc1ccc(F)c(Cl)c1 2054609510 NOYZXGUDTUFTSY-UHFFFAOYSA-N 436.313 7.552 30 10 IKEE C=CCN(CC(=C)Br)C(=O)c1ccc(Cl)c(NC(=O)OC(C)(C)C)c1 2060567156 WFWHFEIFTMJLRW-UHFFFAOYSA-N 429.742 5.224 30 10 IKEE CC(C)c1ccc([C@@H](C(C)C)n2nc(C(C)(C)C)c(C#N)c2I)cc1 2079971021 ASFDTVUIISSXCM-GOSISDBHSA-N 449.380 6.026 30 10 IKEE CC1([C@@H](c2ccc(C(F)(F)F)c(F)c2)n2nc(C(F)(F)F)c(C(=O)O)c2Cl)CC1 2080048306 QLNAEDJHMRLSKX-GFCCVEGCSA-N 444.734 5.801 30 10 IKEE Fc1cc(-c2c(C(F)(F)F)nn(C(F)(F)F)c2Br)ccc1C(F)(F)F 2080792429 NBXZLLLCJGZEPB-UHFFFAOYSA-N 445.054 5.966 30 10 IKEE C=C(COCc1ccccc1)[C@H](NC)[C@]1(O)CN(Cc2ccccc2)C2(CCCCCC2)C1 2100356461 PVYAPVMWJGLTHS-LMSSTIIKSA-N 448.651 5.077 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCC(C)(C)C[C@H]1OCc1ccccc1 2105752295 VOMOKVVXDLLFIM-UFHPHHKVSA-N 448.607 6.794 30 10 IKEE CC1(C)OB(C=C2CCN(C(=O)c3cccc(OCc4ccccc4)c3)CC2)OC1(C)C 2107462062 VEHJFMGEPMTFJH-UHFFFAOYSA-N 433.357 5.059 30 10 IKEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(Cc2ccc(Cl)cc2Br)CC1 2137177650 PCARZFUDOUQKDE-UHFFFAOYSA-N 426.591 5.256 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(CNc3cc(Br)c(C#N)cc3F)CCC[C@@H]12 2162404071 XTLSEQBSCSHJMF-XLIONFOSSA-N 438.341 5.051 30 10 IKEE COC1C(C)(C)C(C#N)(N(C(=O)OC(C)(C)C)c2cccc(Br)c2)C1(C)C 2169334664 ZBJHYVGGRSIJNG-UHFFFAOYSA-N 437.378 5.534 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)[C@@H]1C[C@@H]1c1ccccc1 2200291629 FDYWAJJRSNSHCR-MBOZVWFJSA-N 427.342 5.886 30 10 IKEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CC[C@H](C)C[C@H]1OCc1ccccc1 2262202785 AXQXPURPMFEDPM-MAFNXUKGSA-N 438.564 5.395 30 10 IKEE C=CCCC1([C@H](NCC)c2cc(F)ccc2Br)CN(C(=O)OC(C)(C)C)C1 2281032627 LEKQAOQXRPKEJT-GOSISDBHSA-N 441.385 5.442 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CCCN(Cc2ccccc2)C1 2296309088 QJCWTEPAORSUAP-LADGPHEKSA-N 425.414 5.081 30 10 IKEE COc1cccc(C=C2SC(=Nc3cccc(C)c3)N(c3cccc(C)c3)C2=O)c1O 2296826768 OYOOXVFUTXGTNZ-UHFFFAOYSA-N 430.529 5.826 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)C(=Cc1ccccc1C)NC(C)=O 2313739287 SYPRWRPONFEPCB-UHFFFAOYSA-N 442.688 7.070 30 10 IKEE O=C1C(=Cc2cccc(Cl)c2Cl)Oc2cc(OCc3ccc(Cl)cc3)ccc21 2314437075 BVPVGJQQIQNLGF-UHFFFAOYSA-N 431.702 6.842 30 10 IKEE CCN1C(=O)C(=Cc2ccc(OCc3ccc(C)cc3)cc2)SC1=Nc1cccnc1 2314541424 LNMQPNCKMNFJOK-UHFFFAOYSA-N 429.545 5.593 30 10 IKEE CCCCSc1nnc(CCC)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2321762415 CARHXPWQEVEBSC-UHFFFAOYSA-N 443.016 6.237 30 10 IKEE CN(C)CCCCN1COc2ccc3c(c2C1)OC(=Cc1ccc(C(C)(C)C)cc1)C3=O 2322119834 LGXJQXDPPJGZPL-UHFFFAOYSA-N 434.580 5.094 30 10 IKEE COc1cccc(C(=O)C=Cc2c(OCc3ccc(Cl)cc3)ccc3ccccc23)c1 2322371534 NFEMIKFNPZGSIN-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE COC(=O)c1ccc(COc2ccc3ccccc3c2C=CC(=O)c2ccccc2Cl)o1 2322436469 IYOWFINCZBSPGM-UHFFFAOYSA-N 446.886 6.348 30 10 IKEE COc1cccc2cc(C(=O)Oc3ccc4c(c3C)OC(=Cc3ccc(F)cc3)C4=O)oc12 2322860236 NJBGOCLBRSJOKW-UHFFFAOYSA-N 444.414 5.724 30 10 IKEE CC(=O)Nc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2sccc2C)C3=O)c1 2322969196 PNKSQTAEUPNZSB-UHFFFAOYSA-N 433.485 5.159 30 10 IKEE COC(=O)c1ccc(COc2cc(C=CC(=O)c3ccc4c(c3)CCCC4)ccc2OC)o1 2323053058 MXYLFGWTWDWRPI-UHFFFAOYSA-N 446.499 5.429 30 10 IKEE CCCOc1c(Br)cc(C=NNc2nc3ccc(C)cc3[nH]2)cc1OCC 2323202665 XOIIQJXJDUYWPR-UHFFFAOYSA-N 431.334 5.267 30 10 IKEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)o1 2323371184 LGCAYKQYENAVRV-UHFFFAOYSA-N 441.823 5.103 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2OC)ccc1OCC(=O)Nc1cc(C)cc(C)c1 2323719019 DCFUGXVBQPWMLW-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)c(OCc3ccccc3)c(OCC)c2)cc1 2323839422 LUNQGZXIGWOBPI-UHFFFAOYSA-N 436.935 6.613 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1cccnc1)C2=O)c1ccc(OCc2ccccc2)cc1 2323839992 XIFOMPNORSUCAR-UHFFFAOYSA-N 449.462 5.496 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(Cl)c(Cl)c3)cc2)o1 2323879582 HCNICJMQDIRKEX-UHFFFAOYSA-N 445.298 6.238 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2Cl)c(C)c1 2323944036 BFANNRGBLFPADQ-UHFFFAOYSA-N 447.962 6.487 30 10 IKEE CCCOc1c(OCC)cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc1[N+](=O)[O-] 2324224472 PFPKBUHGJBSSPQ-UHFFFAOYSA-N 441.524 5.985 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OCc1cccc(C)c1 2324306628 DJIQPOCIHYJGCL-UHFFFAOYSA-N 430.544 6.494 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OCCOc3ccc(C(C)(C)C)cc3)ccc2C1=O 2324685750 MDHBKDHDPBLIDS-UHFFFAOYSA-N 434.557 6.428 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O 2325092496 AAXFNOPJSLCJOV-OAQYLSRUSA-N 426.484 5.723 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccccc1C(=O)O 2325532383 FGEPZQCXCMAJGP-UHFFFAOYSA-N 428.945 5.147 30 10 IKEE COc1ccccc1C(=O)C=Cc1cccc(OC(=O)c2[nH]c3ccc(C)cc3c2C)c1 2325724625 AQIXNPBIPHBIRB-UHFFFAOYSA-N 425.484 5.909 30 10 IKEE O=C(C=Cc1cccc(OC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)c1)c1cccc(Cl)c1 2325728785 BKVWQHFSUOZFJA-FCHUYYIVSA-N 437.322 6.599 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2cccc(C=CC(=O)c3ccc(C)c(C)c3)c2)cc1 2325760424 LPEYXOUQWYCRFW-UHFFFAOYSA-N 428.528 6.273 30 10 IKEE CCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccc(Cl)cc1 2326063600 FMWOLIDFSLOZED-UHFFFAOYSA-N 435.380 5.591 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(OC)cc2)n1N=Cc1ccccc1C 2326252243 ANAXTMISMYZQOY-UHFFFAOYSA-N 436.581 5.157 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1cccc2ccccc12 2327571114 PHHOTDGJWGEAHO-UHFFFAOYSA-N 434.952 5.824 30 10 IKEE C=CCSc1nnc(COc2ccccc2OC)n1N=Cc1cccc2ccccc12 2328298160 WKSJAPHGSGGDKL-UHFFFAOYSA-N 430.533 5.179 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(Cl)cc3)n2N=Cc2ccccc2C)c1 2329080824 QQWUKGIPDYYIQA-UHFFFAOYSA-N 447.007 6.314 30 10 IKEE Cc1ccc(C(=CC(=O)N[C@H](C(=O)Nc2ccccc2C#N)c2ccccc2)C2CC2)cc1C 2329603354 MHAPZBRXMJHCSJ-NDEPHWFRSA-N 449.554 5.465 30 10 IKEE Fc1ccccc1C=Nn1c(CCc2ccccc2)nnc1SCCc1ccccc1 2330200083 DFFCHVJZSADETL-UHFFFAOYSA-N 430.552 5.419 30 10 IKEE CC(C)c1ccc(C=Nn2c(Cc3ccccc3)nnc2SCCc2ccccc2)cc1 2330497796 CRZWJNYKOVDOIJ-UHFFFAOYSA-N 440.616 6.209 30 10 IKEE Cc1ccccc1CSc1nnc(-c2cccs2)n1N=Cc1ccc([N+](=O)[O-])cc1 2330535045 ZYEMABFZTNJQMY-UHFFFAOYSA-N 435.534 5.398 30 10 IKEE Cc1cccc(C=Nn2c(SCC(=O)Nc3cccc(C)c3)nnc2-c2ccccc2)c1 2330643371 KFVLGZBIDKLDSK-UHFFFAOYSA-N 441.560 5.175 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4ccccc4c3)cc2Cl)cc1 2330659031 IQWSTDYWDGERQF-UHFFFAOYSA-N 442.898 6.617 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3OC)c(OC)c2)c1 2330800346 ZLTSOMFMPMJAKV-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE Cc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCC(=O)Nc2ccc(C)c(C)c2)cc1 2330807731 LXACQFMJSUUMTO-UHFFFAOYSA-N 449.624 5.405 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1 2330883125 QSXVZWIKVJEEKQ-UHFFFAOYSA-N 443.381 7.001 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1C 2331017975 BCYBJVVRCQPDED-UHFFFAOYSA-N 431.444 5.092 30 10 IKEE CC(C)(C)CC(=O)Oc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1Br 2331030444 RJQCUYPESJIEGI-UHFFFAOYSA-N 446.297 5.595 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccco3)n2N=Cc2ccc(C(F)(F)F)cc2)c1 2331183126 PTUHYWPELRRXEC-UHFFFAOYSA-N 442.466 6.040 30 10 IKEE COc1ccc(OC)c(C=Nn2c(SCc3cccc(C)c3)nnc2-c2ccco2)c1 2331183555 CWMYHNYNWVZYNV-UHFFFAOYSA-N 434.521 5.038 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccc(C)c(C)c3)cc2)cc1 2331189487 ORHBRBYIORAYLH-UHFFFAOYSA-N 430.500 5.583 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccco1 2331216023 QQHHJUHPDAZGEC-UHFFFAOYSA-N 443.359 6.328 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3cc(F)ccc3F)c(Cl)c2)cc1 2331266106 ZNWZWSLUWQDGOL-UHFFFAOYSA-N 442.845 5.807 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OC(=O)C1CCC1 2331410894 NVIZPSMCBYEBKI-UHFFFAOYSA-N 426.940 6.248 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(F)c3)cc2)CC1 2331451205 ATVDLSXBBLKYTD-UHFFFAOYSA-N 438.539 6.632 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2ccc(OC(=O)C3CCC3)c(Cl)c2)cc1Cl 2331698303 FDYWQBMMTWHQSX-UHFFFAOYSA-N 435.303 5.612 30 10 IKEE Cc1cc(CNCc2cccc(OCc3ccccc3)c2)ccc1B1OC(C)(C)C(C)(C)O1 2369698020 XHPHJMWIQKPRLB-UHFFFAOYSA-N 443.396 5.163 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H](Nc2cc(Br)ccc2C#N)[C@H]1C(F)(F)F 2370056231 DECDYMRZDLXFQI-ZFWWWQNUSA-N 448.283 5.063 30 10 IKEE Cc1ccc(-n2c(NC(=O)c3ccccc3Cl)c(C#N)c3nc4ccccc4nc32)cc1 3261011 BQDRBGXPJVKFSR-UHFFFAOYSA-N 437.890 5.660 30 10 IKEE C=CCSc1nnc2c(n1)O[C@H](/C=C/c1ccco1)Nc1ccc(Br)cc1-2 9601914 YFMJWLZVLZWNCS-IQIBNGDESA-N 443.326 5.016 30 10 IKEE Cc1ccc(NS(=O)(=O)c2ccc(/N=C/c3ccc(Cl)cc3Cl)cc2)c(C)c1 12482339 YLVBRVUZFQJSBZ-ZMOGYAJESA-N 433.360 6.162 30 10 IKEE C=CCn1c(SCc2cc(=O)n3c(C)cccc3n2)nnc1-c1ccc(C(C)(C)C)cc1 18771601 DNYJNUYFVBUOSZ-UHFFFAOYSA-N 445.592 5.037 30 10 IKEE CCc1ccccc1N/C=C1\C(=O)c2ccccc2N(Cc2cccc(C)c2)S1(=O)=O 20132860 VZIHHWYSXBNSPI-LFVJCYFKSA-N 432.545 5.044 30 10 IKEE CC(C)Oc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(C(C)(C)C)cc2)C3)cc1 21223850 HDKZYMSKZLGJJI-NZQKXSOJSA-N 431.576 5.776 30 10 IKEE COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2OC)C3)c1 21244322 OBJRFQJSGKKWBG-CLYVBNDRSA-N 426.516 5.683 30 10 IKEE O=C(/C=C\c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1ccccc1 33246177 YGDXBCKMROYHHD-JAKPFLBLSA-N 428.535 6.938 30 10 IKEE C/C(=N\Nc1nc(-c2ccccc2)cc(-c2ccc(F)cc2)n1)c1cccc([N+](=O)[O-])c1 33391076 LAEZOPXWDZHZJL-LQKURTRISA-N 427.439 5.694 30 10 IKEE COc1cccc(/C(O)=N/[C@@H](/C=C\c2ccccc2)c2cc(Cl)c3cccnc3c2O)c1 33420107 MIDIVLDQHNVZLB-FRHQNKJESA-N 444.918 6.362 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(-c4ccccc4)cc3)ccc21 38707295 ZBBIKTZKQGXCCF-UHFFFAOYSA-N 426.516 5.544 30 10 IKEE Cc1cc(S[C@H](C)C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)ncn1 40171284 WSHWUSAQDUEONY-QGZVFWFLSA-N 440.528 5.703 30 10 IKEE C=C(C)C(=O)NCCc1nc2ccccc2n1CCCOc1cc(C)c(Cl)c(C)c1 40203787 OQBBOLWOSOILSB-UHFFFAOYSA-N 425.960 5.010 30 10 IKEE Oc1cc(Cl)ccc1/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 59249602 UMDNDFQXEHVVJO-ZVBGSRNCSA-N 443.149 6.956 30 10 IKEE Cc1cc(/C=C2/S/C(=N/c3ccc(Cl)c(Cl)c3)NC2=O)c(C)n1-c1ccccc1 59433560 MHYOXDCQJXIYEA-RGVLZGJSSA-N 442.371 6.293 30 10 IKEE C=CCn1c(COc2ccccc2F)nnc1SC/C(=C\C(=O)C(C)(C)C)C(C)(C)C 97171032 OTKWGKUNSANVAC-SAPNQHFASA-N 445.604 5.862 30 10 IKEE CC[C@H]1S/C(=N/N=C/c2cccc3ccccc23)N(Cc2cccc3ccccc23)C1=O 97447284 SGZYKMMJIROBTI-AEOQXANVSA-N 437.568 6.237 30 10 IKEE CCCCCCCCCC(=O)NCc1ccc(-c2ccc(OC)c(C)c2)c2ccncc12 98020143 BJBIWCXKBWTZSD-UHFFFAOYSA-N 432.608 6.976 30 10 IKEE biogenic CCCCCCCOc1cccc(NCC(=O)Nc2ccc(C(=O)NCCCC)cc2)c1 100090187 RTSVPEDOJNENIF-UHFFFAOYSA-N 439.600 5.616 30 10 IKEE CCCCCCCCCOc1ccc2ccccc2c1CN1CCN(CCCN)CC1 100156757 ZJYBDWBAVRGEKW-UHFFFAOYSA-N 425.661 5.436 30 10 IKEE CCCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccc(OC)cc1 100461827 NXEIYLGSLBRYLW-UHFFFAOYSA-N 445.732 9.456 30 10 IKEE CCCCCCCOc1cc(C(NC(=O)CCCC)NC(=O)CCCC)ccc1OC 101328822 HWUSFQGQRDBGPE-UHFFFAOYSA-N 434.621 5.656 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(N2CCN(C)CC2)c1N 101511851 LKLHLBQTCREYGW-UHFFFAOYSA-N 432.701 5.704 30 10 IKEE N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)cc1 108371176 DXYMTSWXIBHEIV-UHFFFAOYSA-N 444.490 5.795 30 10 IKEE CCCN1C(=S)N[C@H](c2ccc(OC)c(OC(C)C)c2)C(C(=O)c2ccccc2)=C1C 169928795 XQTVQTJWBSMIIV-HSZRJFAPSA-N 438.593 5.281 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccc(OC)c2)cc1 169930589 KAJNRONOCUAMTE-DEOSSOPVSA-N 427.500 5.349 30 10 IKEE CCCOc1c(OCC)cc(/C=N\Nc2nc(-c3ccccc3)cs2)cc1[N+](=O)[O-] 169943281 OMGLOZSRDGRDAP-XKZIYDEJSA-N 426.498 5.352 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2cccc(C)c2)c1 169966123 LMTDYQQDXMGOCZ-AREMUKBSSA-N 449.506 5.940 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2cccs2)cc1 169983084 DUJOQRLQFTXIJO-JOCHJYFZSA-N 447.512 5.383 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccncc2)c1 170026088 IXPTZNJQPHNEHJ-NRFANRHFSA-N 441.512 5.091 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccccc2)cc1 170055257 FZONVTVSYWCSOX-DEOSSOPVSA-N 445.490 5.045 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 170059451 ZRTHHOLGVILPMD-FQEVSTJZSA-N 439.298 5.167 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2c2ccccc2)cc1 170113494 MFAQRZBERYUSNR-JOCHJYFZSA-N 449.890 5.140 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2)[C@@H]1c1ccc(OC(C)C)cc1 170152026 KZXMROPMOFRYKQ-QHCPKHFHSA-N 437.536 5.251 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1cccnc1 170184961 IMRCQGSWEMBKJS-HSZRJFAPSA-N 444.506 5.610 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccccc1)c1ccc2c(c1)CCCO2 170226648 YUHXWKCESASJCS-QHCPKHFHSA-N 445.902 5.448 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4)[C@@H]3c3ccc(F)cc3)oc12 170239678 HYQHGPGHIOJSNO-JOCHJYFZSA-N 443.430 5.363 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@H]1c1ccccc1C 170277279 DJTUNEHVSZWZLO-XMMPIXPASA-N 449.591 6.070 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2ccco2)c1 170283880 AJMOQPRSAADNSQ-OAQYLSRUSA-N 437.879 5.423 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccco1)c1ccc2c(c1)CCCO2 170286739 KTFMJPLTXOJPGZ-NRFANRHFSA-N 435.863 5.041 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccc(C)o2)c1 170297782 BXWCKUDVMJMWDY-QHCPKHFHSA-N 447.487 5.167 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccs4)[C@H]3c3ccc(C)o3)oc12 170298201 BOSFGQPKMAFXHS-FQEVSTJZSA-N 449.484 5.183 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2ccc(F)c(F)c2)o1 170299204 VEGXJCKOYGWWJD-OAQYLSRUSA-N 434.398 5.130 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(C)o2)cc1C(C)C 170303790 DDPQPLDYKFJTHP-XMMPIXPASA-N 445.515 5.811 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2sccc2C)c1 170316807 HUCQOXXFEICALN-OAQYLSRUSA-N 448.544 5.019 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(N3CCCC3)cc2)c1 170342466 UDLLVPJLBNFNTA-QHCPKHFHSA-N 444.556 5.440 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(O)c(Cl)c2)c1 170367273 JIVHCKOMOFIVDD-HXUWFJFHSA-N 439.920 5.507 30 10 IKEE COc1cc(Br)c(Br)c(C=Nc2ccc3ccccc3c2)c1O 252607319 HAGNHINXYCWZFP-UHFFFAOYSA-N 435.115 5.830 30 10 IKEE CCN1C(=O)/C(=C/c2cc(C)n(-c3ccccc3F)c2C)SC1=Nc1ccc(OC)cc1 252626823 RGESGHJANGBKBU-YOIRLTMBSA-N 449.551 5.866 30 10 IKEE O=[N+]([O-])/C(C=Nc1ccc(C2CCCCC2)cc1)=C/Nc1ccc(C2CCCCC2)cc1 252679350 LEOQHCSULHBRTG-FVWYQJPYSA-N 431.580 7.715 30 10 IKEE FC(F)(F)c1ccccc1C=NNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 254305728 MPXXGOZXIGCONM-UHFFFAOYSA-N 449.440 5.824 30 10 IKEE CSc1ccc(C=NNc2ccc(C(=O)c3c(C)cc4ccccn34)cc2[N+](=O)[O-])cc1 254521906 AQLISBBRSONJCX-UHFFFAOYSA-N 444.516 5.555 30 10 IKEE CCCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccc(C)cc2)cc1Cl 526804290 MBCWMDLCBOPCNF-OYKKKHCWSA-N 428.989 5.766 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1cccc(Cl)c1Cl 526811228 FOKLAMURSOMVOT-MSXFZWOLSA-N 433.408 6.329 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccc(O)c(OCC)c1 526811391 JOSBCOIQIKBOOV-QRVIBDJDSA-N 430.961 5.163 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1c(C)[nH]c2ccccc12 526821874 OTDPLQJQBCBWJC-YUMHPJSZSA-N 439.588 6.348 30 10 IKEE CC(C)(C[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1)NC(=O)OC(C)(C)C 698892078 RGJIYISREQMWDN-QGZVFWFLSA-N 437.968 5.667 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1scnc1Cl 713492182 LIQAWONRRAZUJK-GFCCVEGCSA-N 428.739 5.565 30 10 IKEE Cc1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2cc(O)cc(Cl)c2)cc1C 738011475 CKEGKESPEMECCT-UHFFFAOYSA-O 436.944 5.145 30 10 IKEE O=C(Nc1ccccc1)[C@H]1CC(=O)N(Cc2cccs2)C(=Nc2ccc(F)cc2)S1 1084181318 GFICGGACJTVXAI-LJQANCHMSA-N 439.537 5.048 30 10 IKEE CC(C)(C)[C@@H]1CCc2c(sc(N=Cc3ccc(F)cc3)c2C(=O)Nc2ccccc2)C1 1084227514 MDAYYFUJQRQZSO-GOSISDBHSA-N 434.580 7.041 30 10 IKEE Clc1cc(Cl)cc(/N=C/C(Br)=C\Nc2cc(Cl)cc(Cl)c2)c1 1088674074 PUXXFCISDZYIEE-HHEWUMRXSA-N 438.967 7.351 30 10 IKEE O=C1/C(=C/c2ccc(F)cc2)S/C(=N\N=C/C=C/c2ccccc2)N1Cc1ccco1 1554646418 IZTCHOWDWBLWMD-CKTINRHFSA-N 431.492 5.590 30 10 IKEE C=CCOc1ccccc1/C=C1/SC(=Nc2cccc(C)n2)N(c2ccccc2)C1=O 1772739005 UJVWSOVOLHQTJH-VJGHDNFWSA-N 427.529 5.763 30 10 IKEE CCCCCCCCCCCCC[C@]1(CCCC(=O)OCCO)OCC(C)(C)N1O 1848441143 FHQBYOLJBRCIBR-XMMPIXPASA-N 429.642 5.590 30 10 IKEE Cc1cccc(NC(=S)N/N=C\c2cn(-c3ccc(F)cc3)nc2-c2ccccc2)c1 1857808927 MIZRHAAATCFZJM-YSMPRRRNSA-N 429.524 5.307 30 10 IKEE CC(C)N(C(=O)c1c(F)cccc1Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1859875945 FIBAMSPNLCXGTB-UHFFFAOYSA-N 427.747 6.572 30 10 IKEE N#Cc1c(O)nc(SCCCCOc2ccc(Cl)cc2)nc1-c1ccccc1Cl 1860825142 OSKKGMKXALDLBN-UHFFFAOYSA-N 446.359 5.979 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)/C=C/c1ccc(OCC)cc1 1861581527 MGLONQGTGHKHAV-MONSYSNTSA-N 444.660 6.030 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccccc1 1862380291 ZBHUWJGMSKXASS-HXUWFJFHSA-N 432.347 6.152 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862406466 QJHAPWZIYOPZQH-XCLFUZPHSA-N 448.346 5.687 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccccc1F)c1ccccc1Cl 1862430813 SJWCWUHQSLGEHZ-LJQANCHMSA-N 427.884 5.319 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(N(CC)CC)cc1 1862438430 BGJOSSMOGZBULS-QFIPXVFZSA-N 440.971 5.565 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccccc1Cl 1862559964 AQHTZWHAODYJAA-OYHNWAKOSA-N 432.907 5.262 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CCCCCO)cc1 1862580830 SUBCTVFDSLIXAC-FQEVSTJZSA-N 448.346 5.043 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2Cc2ccncc2)cc1 1862649634 CJAUSSPIFJMIKD-AREMUKBSSA-N 448.522 5.576 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccc(Br)c1 1862670513 VULZBPOVPHBKOT-HXUWFJFHSA-N 442.353 5.561 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1cccc(C)c1 1862699187 RPWLDDRAPKDDQU-URXFXBBRSA-N 435.564 5.941 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 1862736445 YGFQXPZLXLVSKX-NYHFZMIOSA-N 446.434 5.073 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(C(C)(C)C)cc1 1862737767 LJWVTZCWYBWBBL-YCRPNKLZSA-N 436.508 5.269 30 10 IKEE N#Cc1ccccc1N1C(=O)C(Nc2ccc3ccccc3c2)=C(c2ccc(F)cc2)C1=O 1862776557 UYPPYELTXLNULM-UHFFFAOYSA-N 433.442 5.247 30 10 IKEE COc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cccc4ccccc34)C2=O)cc1 1862958206 IRZRFVFJXFEOCH-UHFFFAOYSA-N 445.478 5.117 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2C)=C(c2ccc(OC(C)C)cc2)C1=O 1863357327 HNXYRLJLYLNVIJ-UHFFFAOYSA-N 448.607 6.335 30 10 IKEE CCc1ccc(OCCCC(=O)Nc2ccc(C#N)cc2C(=O)c2cccc(C)c2)cc1 1865937353 NKZIHZHVRRJTGR-UHFFFAOYSA-N 426.516 5.458 30 10 IKEE CCCc1nc(Nc2ccc(C#N)cc2)cc(N2C[C@@H](CC)Cc3cc(OC)ccc32)n1 1868400766 DJBRUBFYOJBEKQ-SFHVURJKSA-N 427.552 5.773 30 10 IKEE CCCN(CCC)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCC1=CCCCC1 1870350564 LUWZDUGHZIJHSR-UHFFFAOYSA-N 447.623 5.811 30 10 IKEE CCCCCCCOc1cn(CCN(CC)CC)c(CNc2ccc(CC)cc2)cc1=O 1870837346 AUZAQBDCSFGNCK-UHFFFAOYSA-N 441.660 5.714 30 10 IKEE CCCCCCCCn1cc(OCCCCCC)c(=O)cc1CNc1ccc(C)c(F)c1 1871125092 LMVDCPRYIJXVNA-UHFFFAOYSA-N 444.635 7.228 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(Cl)cc1)O3)CN(CCc1ccccc1)CO2 1871344281 BNXSCNOFSPQRCF-UCQKPKSFSA-N 431.919 5.659 30 10 IKEE Cc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCc2ccc(C)cc2)C4)cc1 1871347908 DIFLOASHFUUXMN-MYYYXRDXSA-N 425.528 5.623 30 10 IKEE O=C1/C(=C/c2cccc(Cl)c2)Oc2c1ccc1c2CN(Cc2cccc(Cl)c2)CO1 1871347984 JDFHENAXZHEAIW-JJFYIABZSA-N 438.310 5.962 30 10 IKEE Cc1cc(OC(=O)/C=C/c2ccco2)cc2c1C(=O)/C(=C/c1ccc(Cl)c(Cl)c1)O2 1871369800 ZAWXAEGDYSGFBY-QBEBGYDGSA-N 441.266 6.130 30 10 IKEE COc1ccc(Br)cc1/C=C1\Oc2c(ccc(OC(=O)CC(C)C)c2C)C1=O 1871386267 MSEXNTLBLWURNG-ODLFYWEKSA-N 445.309 5.334 30 10 IKEE CCCOc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(C)c2)C3=O)c1 1871388186 YONBAVLUKSRMCL-OYKKKHCWSA-N 428.484 5.928 30 10 IKEE C[C@H]1C[C@H](C)CN(Cc2c(O)ccc3c2O/C(=C\c2cccc(Br)c2)C3=O)C1 1871396755 UTYMRLOQCFREDN-QZNHCPNFSA-N 442.353 5.249 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OCc3ccc(C(=O)OC(C)C)cc3)ccc2C1=O 1871406254 YVGLUGBPJGYCGS-QFEZKATASA-N 444.483 5.456 30 10 IKEE CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2)C3=O)c1 1871425919 JUIVJEJGXNUSGQ-WTZXFZKGSA-N 441.483 5.220 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cc(C)cc(C)c4)cc(C)c3C2=O)cc1 1871454641 VPBVTUPYCMNWRR-QFEZKATASA-N 441.527 5.808 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4cc(C)cc(C)c4)c3C)C2=O)cc1 1871454824 ZPJPPQYBEYYDTE-OYKKKHCWSA-N 443.499 5.254 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 1871878909 HVJBKHIEIKBPFI-QFIPXVFZSA-N 449.016 5.413 30 10 IKEE C=CCN([C@@H](C(=O)Nc1cccc(C)c1C)[C@@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872521668 MQYDCBOQTYOZEE-MHECFPHRSA-N 442.625 5.150 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(F)cc1 1872527279 ROFPHIVCJRXAIR-QHCPKHFHSA-N 446.588 5.063 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NS(=O)(=O)c1cc(C)ccc1C)[C@@H](C)CC 1872612603 FSBQZFIQBYAQCY-NZQKXSOJSA-N 438.678 5.253 30 10 IKEE COc1cccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(Cl)cc3Cl)n2)c1 1872762842 XUHPQIDCFGVKJV-DBWMJRBXSA-N 429.328 6.015 30 10 IKEE N#C[C@H](C(=O)/C=C/c1ccc(OCc2ccccc2)cc1)c1nc(-c2ccccc2)cs1 1872767802 AOJYOXCOZASRIX-KROBSHITSA-N 436.536 6.279 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3Br)n2)cc1Cl 1872785732 UZNGLWDNKSKKFG-CYBMUJFWSA-N 447.741 5.725 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(OCCCC)cc2)cc2c(N3CCC(C)CC3)ncnc21 1873644304 JPXPXLAEZCXADS-UHFFFAOYSA-N 447.583 5.285 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(COc2c(C)cccc2C)nnc1SCC(=C)C 1874299498 DDMHORRQPQKLDG-CVKSISIWSA-N 448.592 5.589 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3C)n2/N=C/c2cccn2C)cc1C 1874319815 LIHPTCAKVOLHJN-CVKSISIWSA-N 445.592 5.295 30 10 IKEE C=CCSc1nnc(COc2cccc(C)c2C)n1/N=C/c1c(Cl)cccc1Cl 1874324831 PPISOQDCLDBXAD-WYMPLXKRSA-N 447.391 5.941 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(F)c3)n2/N=C/c2cccc(F)c2)cc1 1874388163 YINKXLQXSCQBTJ-JFLMPSFJSA-N 434.515 5.630 30 10 IKEE C=C(C)CSc1nnc(CC2CCCCC2)n1/N=C/c1ccc(N(CC)CC)cc1 1874407639 IAKGCOWJRREVQF-KOEQRZSOSA-N 425.646 5.798 30 10 IKEE CCCOc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccccc2)cc1 1874408305 PVIYZJUCOVSGNJ-ZXVVBBHZSA-N 448.636 6.364 30 10 IKEE COc1cc(/C=N/n2c(SC)nnc2-c2ccccc2)ccc1OCc1ccccc1 1874425443 JMJPBNIDXUQSJI-PCLIKHOPSA-N 430.533 5.137 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2[C@@H]2CCCO2)c1 1874448407 AVAMLDSTOWYZGG-OGBFJMLUSA-N 447.391 5.919 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C2CCCC2)c1 1874452709 JINOJTMJDWGKJU-WGOQTCKBSA-N 438.572 6.038 30 10 IKEE COCCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1ccc(Cl)c(Cl)c1 1874472831 ZESPMDMIWFZUJW-WYMPLXKRSA-N 449.407 5.565 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1cccc(C)c1 1874480423 WHEMARZUOPSMJX-ZMOGYAJESA-N 433.408 6.410 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CCC2)cc1 1874497038 QVUUNVMNDHJWAD-ZVHZXABRSA-N 426.973 5.772 30 10 IKEE CCCOC(=O)COc1c(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cccc1OC 1874570244 SWPBXGOHLLNRFO-WUKNDPDISA-N 430.500 5.590 30 10 IKEE C=C(C)COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(OCCC)c(OCCC)c1 1874576204 BTQMJPOTLKDHPL-BUHFOSPRSA-N 444.571 7.268 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCCCO)cc1OCCC 1874576219 CLAPZEZNOHGHBH-RMKNXTFCSA-N 432.944 5.575 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1OCc1cccc(Cl)c1 1874596868 HDETZKJSAUCUCJ-RIYZIHGNSA-N 434.963 7.121 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)c(C)c1 1874617693 OYLGWXYXVKHURB-NYYWCZLTSA-N 437.898 6.010 30 10 IKEE COc1ccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 1874692443 HDHRLLFLOJXAAB-GXDHUFHOSA-N 431.444 5.038 30 10 IKEE CCCCCCCCC(=O)Oc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OC 1874692658 RGOYVJSEUOSCMU-NBVRZTHBSA-N 444.571 7.401 30 10 IKEE CCCOc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c(F)c3)c2)cc1 1874707192 TWJIZXFDICZDKI-UKTHLTGXSA-N 448.490 5.667 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 1875084967 IVWRIAZDWJPZGJ-GXDHUFHOSA-N 431.444 5.038 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(OC)c1OC(=O)CCCC 1875095675 BDDNRQWKJGHOGK-DTQAZKPQSA-N 428.528 6.569 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCOc3ccccc3)cc2)cc1 1875106737 IKNDONZEPAUGEP-XMHGGMMESA-N 428.528 6.300 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1Cl 1875113672 SEUZUYKSLPMFJA-FYWRMAATSA-N 433.375 7.546 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 1875118385 UBNRNAUQYWQNPA-MDWZMJQESA-N 437.835 5.372 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(OC)cc1 1875125487 LHHUMFMAAUNIRZ-LNKIKWGQSA-N 436.891 5.863 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2)cc1 1875137780 DPSYEYMUMYIBFT-SFQUDFHCSA-N 428.528 6.273 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)CCc2ccc(Cl)cc2)cc1 1875143730 NRWBHBYPKPCVHT-RIYZIHGNSA-N 434.919 6.091 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3)c(Br)c2)cc1 1875155808 UHNFZDIGXWZVPN-RIYZIHGNSA-N 449.344 6.688 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc(Br)c1OC(C)=O 1875166237 BXPDGNKAJXBZRM-VQHVLOKHSA-N 447.325 5.295 30 10 IKEE C=C(COCC)[C@@H](NC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875689111 BPVYAHPXXWCYGG-VSGBNLITSA-N 447.575 5.059 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@](C)(C#N)C(C)(C)C(F)(F)F 1878633162 XXTVFJAPTSERQI-QGZVFWFLSA-N 435.284 6.061 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[C@H](C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1890762821 KWFZFYJOFAWMIE-AQNXPRMDSA-N 429.561 5.009 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@H]1CCCN(C(=O)OC(C)(C)C)CC1)NCCC 1922115110 DRDPESDSSKGHCZ-UPVQGACJSA-N 430.633 5.555 30 10 IKEE CC[C@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(C)cc1 2014644790 IURUTLLDGPYIJC-DVECYGJZSA-N 429.561 5.418 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@@H](C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2021497966 PDGITEZCJOEEAY-OALUTQOASA-N 429.561 5.356 30 10 IKEE N#Cc1ccc(CNc2cc(Br)c(Br)c(Br)c2)o1 2034334304 LKAUALRGEUMJLE-UHFFFAOYSA-N 434.913 5.051 30 10 IKEE CC(C)[C@H]1CC=C(C(=O)C2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)CC1 2061122611 QNJKWIBLVUEQSC-QFIPXVFZSA-N 440.628 5.498 30 10 IKEE C=C(c1ccccc1)[C@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2076572775 KNUIFMGWAVVGQZ-TUSQITKMSA-N 438.612 5.567 30 10 IKEE CCOC(=O)c1c(C(C)C)nn(Cc2cccc(C(F)(F)F)c2F)c1C(F)(F)F 2079089568 FHOSHSFEUBNHKC-UHFFFAOYSA-N 426.332 5.408 30 10 IKEE CC(C)c1nn([C@@H](c2ccc(C(F)(F)F)c(F)c2)C2CC2)c(Br)c1C=NO 2079976677 AYDXTQKGOUNOMM-MRXNPFEDSA-N 448.258 5.734 30 10 IKEE CCCOc1ccc([C@H](C2CC2)n2nc(C3CC3)c(C#N)c2I)cc1 2080063265 AMVKFIKLGYTBGT-IBGZPJMESA-N 447.320 5.025 30 10 IKEE Cc1ccc(Cn2nc(C3CCCCC3)c(C#N)c2Br)cc1C(F)(F)F 2080312468 IPJNRIIIXXXQAH-UHFFFAOYSA-N 426.280 5.941 30 10 IKEE C[C@@H](Nc1cc(Br)c(C#N)cc1F)c1csc(NC(=O)OC(C)(C)C)n1 2114324221 IKVIYQXQJFLYPN-SECBINFHSA-N 441.326 5.436 30 10 IKEE C=CCC[C@@H](C)[C@@H](NCCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134733146 CXXPPNWAKBYJKQ-AYWVHJORSA-N 443.631 7.488 30 10 IKEE C=CCCCC[C@H](NCCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134734558 RMOJPWZWOGHUBN-NDEPHWFRSA-N 443.631 7.632 30 10 IKEE CCC1(CC)OCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2155126203 QJCIZRRZOMFVKH-HXUWFJFHSA-N 437.378 5.822 30 10 IKEE Cc1cc(Br)c(N=C2N[C@@H](C(F)(F)F)[C@H](C)S2)c(Br)c1 2195313151 CYUUKTSXTSXBPZ-QUBYGPBYSA-N 432.103 5.163 30 10 IKEE CC#CCCCC[C@H](NC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2196175051 UNGAMZUBDOTFRC-VQTJNVASSA-N 437.422 5.057 30 10 IKEE C=CCC[C@@H](C)[C@@H](NC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229109241 HOOPUPGBJHZBBP-ATZDWAIDSA-N 425.411 5.075 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H](CC(C)C)NC(=O)OC(C)(C)C 2235728437 LNWGXJCQFANCCP-WOJBJXKFSA-N 437.422 5.108 30 10 IKEE CCC[C@H](CCNC(=O)OC(C)(C)C)CC[C@@H](O)C#Cc1ccccc1Br 2235738821 CVEGIMUDGXAERW-PKOBYXMFSA-N 438.406 5.273 30 10 IKEE C[C@@H](N(Cc1ccccc1)C(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1)C(C)(C)C 2247863151 MTCPBHDMINYENH-QGZVFWFLSA-N 427.419 5.124 30 10 IKEE CC(C)(C)OC(=O)Nc1cc([C@@H](O)C#Cc2ccc(Br)cc2)ccc1Cl 2278794180 SQIMMDJVGVDTLY-SFHVURJKSA-N 436.733 5.535 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1CCC(=O)C#Cc1ccc(Br)cc1 2296275744 ADIIVGJFCWPCTA-XLIONFOSSA-N 434.374 5.233 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1OC 2314438007 DPYMYMWLVYFRPI-UHFFFAOYSA-N 436.847 5.193 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccc(Cl)c(Cl)c1 2314477724 LPGQKEZCSKGHDT-NRFANRHFSA-N 446.330 5.008 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2319203502 KBPFZOFTAZZCRE-AQNXPRMDSA-N 447.551 5.543 30 10 IKEE COCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(Cl)cc1Cl)C3=O 2322016635 VZJTUEGJBVEPMU-UHFFFAOYSA-N 434.319 5.106 30 10 IKEE CCCCCCCCN1COc2c(cc3c(c2C)OC(=Cc2ccc4c(c2)OCO4)C3=O)C1 2322415742 KLZIGLNSAWIQCZ-UHFFFAOYSA-N 449.547 5.852 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccccc2Cl)c1OCc1cccc(F)c1 2322436769 QJYXMHLIUVOPMM-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE COc1cccc(C=CC(=O)c2ccccc2Cl)c1OCc1c(F)cccc1Cl 2322437043 PPCYPKDWBOJASM-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE Cc1ccc(-n2ncc(NN=Cc3cccc(OCc4ccccc4)c3)c(Cl)c2=O)cc1 2322586055 GXCDOOCCNCREMF-UHFFFAOYSA-N 444.922 5.219 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OC)c2OCc2cccc(Cl)c2)c1 2322667186 HQEAPQVNWVOSKS-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccccc1OCc1c(Cl)cccc1Cl 2322845607 YSTOXSSOSVBZBT-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE C[C@@H](NC(=O)COc1cccc(C=CC(=O)c2ccc3c(c2)CCCC3)c1)c1ccccc1 2323054952 SFVHBUMFEYYCTI-OAQYLSRUSA-N 439.555 5.718 30 10 IKEE C=C(C)COc1c(Br)cc(C=CC(=O)c2ccc(OC)cc2)cc1OCC 2323648214 HVGCQOGQGYBCIC-UHFFFAOYSA-N 431.326 5.707 30 10 IKEE C[C@H]1CCCN(Cc2c(O)ccc3c2OC(=Cc2ccc(Br)cc2)C3=O)C1 2324066446 MCXLAWNVTPQCLI-AWEZNQCLSA-N 428.326 5.003 30 10 IKEE Cc1cc(O)c(CN(C)C2CCCCC2)c2c1C(=O)C(=Cc1c(F)cccc1Cl)O2 2324077333 NHVFEZRCXFDJHN-UHFFFAOYSA-N 429.919 5.874 30 10 IKEE C=CCN(CC=C)Cc1c(O)cc(C)c2c1OC(=Cc1c(Cl)cccc1Cl)C2=O 2324082543 IFLWWMNWQKJQNA-UHFFFAOYSA-N 430.331 5.798 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(Cl)c2)ccc1OCc1ccc(F)cc1 2324623332 GLCFRXATKATLRN-UHFFFAOYSA-N 440.898 6.362 30 10 IKEE CCCN(CCC)C(=O)COc1cc(C)c2c(c1)OC(=Cc1cn(C)c3ccccc13)C2=O 2325198343 MZLLMBXNWVJQMY-UHFFFAOYSA-N 446.547 5.130 30 10 IKEE Cc1nc2ccc(C(=O)Oc3cccc(C=CC(=O)c4ccccc4Cl)c3)cc2nc1C 2325717801 PNBYUBDJAHPKIM-UHFFFAOYSA-N 442.902 6.015 30 10 IKEE O=C(Cc1ccc(Cl)cc1)Oc1cccc(C=CC(=O)c2cc(Cl)ccc2Cl)c1 2325773597 LILWKNAYWJFOOF-UHFFFAOYSA-N 445.729 6.691 30 10 IKEE Cc1nnc(SCc2ccc(Br)cc2)n1N=Cc1ccc(OC(C)C)cc1 2326608160 QLTFYFKDQKKAIS-UHFFFAOYSA-N 445.386 5.311 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc[nH]1 2327716033 CIOHHHQDEDTBGK-UHFFFAOYSA-N 437.572 5.833 30 10 IKEE CCCOc1ccc(C=Nn2c(COc3c(C)cccc3C)nnc2SCCC)cc1 2328559724 WYUSZDLKRFMDOA-UHFFFAOYSA-N 438.597 5.647 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(OC)cc2)n1N=Cc1c[nH]c2ccccc12 2328576744 JCFZYMOKNXDLLZ-UHFFFAOYSA-N 431.565 5.104 30 10 IKEE Cc1ccsc1C=Nn1c(Cc2ccccc2F)nnc1SCc1cccc(F)c1 2329725715 FEFDYCVTMNGIOM-UHFFFAOYSA-N 440.544 5.692 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3ccc(OC)cc3)c(OC)c2)cc1 2330742403 BSHWKTFDUJPSSA-UHFFFAOYSA-N 446.499 5.390 30 10 IKEE COc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccccc2C)cc1OC 2330808076 MWKJGNCHHRKKKL-UHFFFAOYSA-N 438.597 5.367 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3ccccc3)c(OC)c2)cc1C 2330856594 UYFGDSVSYNYYFI-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccccc1O 2330862769 FJAJJXAIYSQPPD-UHFFFAOYSA-N 430.577 5.900 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc3ccccc23)n1N=Cc1cccc(O)c1 2330863075 RPDFCAWCFYGMGQ-UHFFFAOYSA-N 430.577 5.900 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2330950666 PWPOSOPALAILJD-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE FC(F)(F)c1ccc(C=Nn2c(SCCc3ccccc3)nnc2[C@H]2CCCO2)cc1 2330967867 HTASTNYCMDTSPU-LJQANCHMSA-N 446.498 5.365 30 10 IKEE COc1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2-c2ccco2)c(OC)c1 2331183177 XITIEDAXLLLQNB-UHFFFAOYSA-N 434.521 5.038 30 10 IKEE COCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(C(C)C)cc1 2331305129 RHZLJRDRBPSDJF-UHFFFAOYSA-N 428.989 5.418 30 10 IKEE COc1cc(C=Nn2c(CC(C)C)nnc2SCc2ccc(Cl)cc2)ccc1O 2331467609 KKFLSTROHTVCDQ-UHFFFAOYSA-N 430.961 5.019 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2ccc(Cl)cc2)c1 2331494408 VLKMPAFDLYERRG-UHFFFAOYSA-N 439.972 5.120 30 10 IKEE COc1cc(C=Nn2c(SCc3ccccc3)nnc2C2CCC2)cc(Cl)c1O 2331520928 QSRNTRQODGWETH-UHFFFAOYSA-N 428.945 5.088 30 10 IKEE C=CC1(CNCc2ccc(I)c(Br)c2)CCCCC1 2349839832 KCAMBZRPMQBJCP-UHFFFAOYSA-N 434.159 5.280 30 10 IKEE CCOc1ccc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 9805304 SDHHXLUJMMYDQT-IIMAJNMQSA-N 446.550 6.701 30 10 IKEE Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(SCc4ccccc4C)nn32)cc1 20850011 UXZRGWIVQOCFRW-QHCPKHFHSA-N 444.604 5.845 30 10 IKEE COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(N(C)C)cc2)C3)cc1 21221441 VOTMQYGQQKGDHW-WTYVLRPYSA-N 439.559 5.741 30 10 IKEE COc1ccc(OC)c(-c2cccc(-c3ccc(NC(=O)c4ccc(C#N)cc4)cc3)n2)c1 23460686 JKDPMDLCKJZGMV-UHFFFAOYSA-N 435.483 5.557 30 10 IKEE CCCn1cc(CN/C(=N/C(=O)c2cccc(F)c2)Nc2ccc(C(C)C)cc2)c(C)n1 32972922 NPNBVIWJOOMDQB-UHFFFAOYSA-N 435.547 5.262 30 10 IKEE C/C(=N/N1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccccc1 33400408 ZPMUQRJHSHASDR-KPISKDHLSA-N 438.358 5.761 30 10 IKEE Cc1c(C(=O)NCc2ccccn2)oc2c1/C(=N/Nc1cccc(C(F)(F)F)c1)CCC2 40823967 FHGBWVSUZKHZPH-UXHLAJHPSA-N 442.441 5.084 30 10 IKEE Oc1ccc(Cl)cc1/C=N/Nc1nnc(SCc2ccc(Cl)c(Cl)c2)[nH]1 59018539 PGJWUMZZJYEMTI-IFRROFPPSA-N 428.732 5.209 30 10 IKEE C=CCn1c(CCc2ccccc2)nnc1SCCC(=O)Nc1ccc(Cl)cc1 59263861 XAJMYDLKVXRJMX-UHFFFAOYSA-N 426.973 5.024 30 10 IKEE Cc1ccc(CSc2nc3ccc(/N=C/c4ccc([N+](=O)[O-])cc4)cc3s2)c(C)c1 59505914 IQJXMQWZIGVTFK-ZMOGYAJESA-N 433.558 6.864 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccc(Cl)c(OC)c2)nnc1-c1cccc(Cl)c1 59794789 PPIKWIXUVHXDIQ-UHFFFAOYSA-N 449.363 5.177 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(ccc(OCc4cccc(OC)c4)c3C)C2=O)cc1 62957602 SMXMTRJDIOTFSE-ONUIUJJFSA-N 443.543 6.045 30 10 IKEE C=CCN1C(=S)N[C@@H](c2ccc(C(F)(F)F)cc2)C(C(=O)Nc2ccccc2C)=C1C 96278255 CKFDOFQBRZLEMP-FQEVSTJZSA-N 445.510 5.344 30 10 IKEE CCOC(=O)C1=C(Nc2cccc3ccccc23)S/C(=C/c2ccc(N(C)C)cc2)C1=O 100209246 WRNXQTKBLFBTSF-CJLVFECKSA-N 444.556 5.449 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)ON1C(=O)c2ccccc2C1=O 117857515 TZIBXMAKOSEWSS-UHFFFAOYSA-N 429.601 7.002 30 10 IKEE CCCN1C(=S)N[C@H](c2cccc(OCc3cc(C)ccc3C)c2)C2=C1CCCC2=O 169929918 RQPXXTSFVUZPLB-RUZDIDTESA-N 434.605 5.531 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2cccc(C)c2)cc1 169968768 GTWMDSQJBXOWJH-DEOSSOPVSA-N 427.500 5.349 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1cccs1)c1c[nH]c2ccccc12 169988080 SXDKKQNAJBEYSQ-FQEVSTJZSA-N 436.439 5.291 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2c[nH]c3ccccc23)ccc1F 170074848 WASVTCZYLKQDEQ-QHCPKHFHSA-N 442.446 5.104 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)CCc2ccccc2)=C(O)C(=O)N1c1ccc(F)c(F)c1 170088394 RYEICIGYHYDYNE-XMMPIXPASA-N 433.454 5.375 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(O)cc1)c1cccc2ccccc12 170131667 ZHBAHDRTRKGZBL-DEOSSOPVSA-N 439.442 5.467 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2cccs2)c1 170153769 YKIKGKXIWLQDPD-JOCHJYFZSA-N 449.528 5.328 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2cccs2)cc1C 170160160 ZLVNZNPUPQVULO-JOCHJYFZSA-N 449.528 5.165 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccccn2)ccc1Cl 170170049 YXKSOTDLODMKOX-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)cc(OC)c3o2)[C@@H]1c1ccc(F)cc1 170243633 RALLLCIPXNEBBC-IBGZPJMESA-N 443.858 5.222 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1c1ccc(F)cc1 170271166 KDGFFEJWDGZTHL-RUZDIDTESA-N 437.470 6.070 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccco2)cc1 170285666 KDIBTKZDPWWNQQ-HSZRJFAPSA-N 431.488 5.468 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccc(C)o2)c1 170301636 WQDFPJVRVDKEDP-QHCPKHFHSA-N 431.488 5.386 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2sccc2C)c1 170314408 IUFMAMCGQDYKKH-KSFYIVLOSA-N 445.540 5.471 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2sccc2C)cc1C(C)C 170319613 MWWDNMVYNSBUBW-OAQYLSRUSA-N 439.577 5.709 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2ccc(Cl)c(Cl)c2)c1 170380224 LEKZRFDQFAIMIY-HXUWFJFHSA-N 439.298 5.480 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1c1ccc(C(F)(F)F)cc1 170399470 DVDYWZVXZQAHBZ-LJQANCHMSA-N 443.446 5.858 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)c1 170466493 RLKWJODXLDCPAP-HSZRJFAPSA-N 449.591 6.288 30 10 IKEE COc1ccc2c(C#Cc3ccccc3)c3ccccc3c(C#Cc3ccccc3)c2c1OC 207483562 VKRGDXVDWQUWAD-UHFFFAOYSA-N 438.526 6.810 30 10 IKEE CN1C(=O)/C(=C/c2ccc(OCc3ccccc3C#N)cc2)SC1=Nc1ccccc1 252600892 DVEURUIBUFCIJC-YOIRLTMBSA-N 425.513 5.371 30 10 IKEE COc1cccc(/C=C2\SC(=Nc3ccc(C)cc3)N(CCc3ccccc3)C2=O)c1 254396452 RZNALYVPKBLOEL-MMKHHPBPSA-N 428.557 5.850 30 10 IKEE O=c1c2ccccc2nc(-c2ccccc2)n1N=C/C(Br)=C/c1ccccc1 254499049 HGYLTINOWWQHLB-KNKAKDCUSA-N 430.305 5.333 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2cccc(Cl)c2Cl)cc1 526487919 BHCDAWOPVKOXKB-IBGZPJMESA-N 427.312 5.984 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2sccc2C)c(OC)c1 526490247 URTHSXNWCDBBDM-OAQYLSRUSA-N 432.501 5.003 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccc(C)c2)cc1OC 526515824 KMKUXGRTGBTXDT-VWLOTQADSA-N 440.499 5.331 30 10 IKEE CCc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(Sc3ccc(C)cc3)C2=O)cc1 526660597 MEYGDCSKCVBISS-UHFFFAOYSA-N 439.540 5.418 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccc(Cl)cc1Cl 526807310 UJLDOKWMLSXKEM-YVNNLAQVSA-N 425.772 5.975 30 10 IKEE CCCOc1c(Cl)cc(/C=N\n2c(C)nnc2SCc2cccc(C)c2)cc1Cl 526808546 VHBAHUFFUPXWFX-MSXFZWOLSA-N 449.407 6.165 30 10 IKEE CCCOc1c(Cl)cc(/C=N\n2cnnc2SCc2cc(C)cc(C)c2)cc1Cl 526809649 KWCBDZOOLSAYJG-GATIEOLUSA-N 449.407 6.165 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1ccc(OCC)cc1 526815444 WXVNFMQCPAMZSJ-CFRMEGHHSA-N 449.407 6.111 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(CC#N)Cc2cccc(C(F)(F)F)c2)cc1 586180600 HZDMZPUIARYAMU-UHFFFAOYSA-N 438.515 5.543 30 10 IKEE C=CCN(CC=C)C(=O)Nc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1 586663678 LCOHZZBRAHXUEY-UHFFFAOYSA-N 432.568 5.381 30 10 IKEE N#Cc1ccccc1NC(=O)Nc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1 586687398 DOCGIHPZLPOSAU-UHFFFAOYSA-N 446.510 5.722 30 10 IKEE Cc1ccc(NC(=O)c2cnn3c2N[C@H](c2ccccc2)C2=C3CC(C)(C)CC2=O)cc1 606630117 FEAZXSSEUBRUPI-HSZRJFAPSA-N 426.520 5.211 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)[C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C1(C)C 693741681 RTVOAMSYSYNXFL-MNFWLRKXSA-N 435.609 5.340 30 10 IKEE CCCCCCCCC[C@@H](O)c1cc(NC(=O)OC(C)(C)C)ccc1Br 696117611 XWOHXTMVUMVHJW-LJQANCHMSA-N 428.411 6.970 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 698468153 GYGNSWQOZDEAJL-MHECFPHRSA-N 429.561 5.276 30 10 IKEE COc1ccc(Br)cc1[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698856949 RSOXBINZGBMSCO-SFHVURJKSA-N 437.378 5.982 30 10 IKEE COc1ccc(Br)c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)c1 698891394 XVZJTOCLDSYDAS-GOSISDBHSA-N 435.293 5.603 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2cccc(Br)c2Cl)cc1 706526003 JZRSENXRMVNUCT-KRWDZBQOSA-N 435.749 6.417 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@H](C#N)c1cccc(Cl)c1Br 719725376 HOGUZPJRYMCHDA-MRXNPFEDSA-N 439.712 6.248 30 10 IKEE Cc1ccc(-c2nc(NN=Cc3ccc([N+](=O)[O-])cc3)sc2-c2ccccc2)c(C)c1 1084262671 QXSBLAADXIGKRS-UHFFFAOYSA-N 428.517 6.448 30 10 IKEE C=CCN1C(=O)/C(=C\c2cccc(OCc3ccc(C)cc3)c2)SC1=Nc1nccs1 1772734082 MCJVOSMPSKFETD-LLLXPECQSA-N 447.585 5.821 30 10 IKEE O=C1/C(=C/C=C/c2ccccc2[N+](=O)[O-])SC(=Nc2nccs2)N1c1ccccc1 1772734666 NQCINMDHEBSMJH-VKLNBLMMSA-N 434.502 5.416 30 10 IKEE COc1ccc(/C=C2\SC(=Nc3cccc(C)n3)N(c3ccccc3)C2=O)cc1OC 1772735143 GCVPTWOOMTZJFO-POLMPROESA-N 431.517 5.216 30 10 IKEE N#Cc1cccc(NC(=O)Oc2cccc3c(NC(=O)/C=C/c4ccccc4)cccc23)c1 1858774013 QBAFQLICTYTAGC-FOCLMDBBSA-N 433.467 5.974 30 10 IKEE Cc1ccc(CCCC(=O)Nc2c(C#N)cnn2-c2cc(C)c3cccc(C)c3n2)c(C)c1 1859656949 KSKKHNUTMYJKQM-UHFFFAOYSA-N 437.547 5.487 30 10 IKEE CSc1ccc(Cl)cc1CC(=O)Nc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1 1860907037 UYZQCMMMOZNAOT-UHFFFAOYSA-N 435.936 5.367 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2Cl)=C(O)C(=O)N1C[C@@H]1CCCO1 1862380037 RMUCHWKZXPUBTH-MGPUTAFESA-N 446.330 5.059 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1cccc2ccccc12 1862381780 ATNWBHFHLRSIPW-NRFANRHFSA-N 438.310 5.911 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(CC)cc1 1862384942 DKVVDPFTXWRAJJ-FQEVSTJZSA-N 432.347 5.934 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@H]1c1ccc(C(C)C)cc1 1862394808 KKEXLEVFPJDIPB-AREMUKBSSA-N 447.619 6.921 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2cccc(C)c2)cc1C 1862400325 BBVYUMDAEGGUPF-XMMPIXPASA-N 427.500 5.091 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2cccc(C)c2)cc1C 1862400680 KBSQQDGRXDVOGP-UQJUWTFNSA-N 433.548 5.469 30 10 IKEE O=C(C1=C(O)C(=O)N(C23CC4CC(CC(C4)C2)C3)[C@@H]1c1ccccc1)c1ccc(F)cc1F 1862413018 SYGVKVJGGHRZFF-PHDLEGTPSA-N 449.497 5.512 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)c1 1862431443 HMMNINZQJCPZOV-ZAOYMGCJSA-N 439.939 5.506 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cc(Cl)cc(Cl)c1 1862444315 WFYADUDXBPBLAP-ZMZPIMSZSA-N 438.738 6.024 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc(Cl)c2)cc1 1862476150 CYSDRIPZGLCSJN-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862479541 JSVYPVMGOJRQDT-QHCPKHFHSA-N 447.531 5.083 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2ccccc2)c1 1862486969 OWXVPMSMARCUCO-QHCPKHFHSA-N 431.919 5.735 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2[N+](=O)[O-])c1 1862492764 YWGGAXTXJQMSKI-NRFANRHFSA-N 448.500 5.052 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(O)cc1 1862507633 QDAKFOFHRMFJIC-CVDCTZTESA-N 439.527 5.777 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(C(F)(F)F)cc1 1862508704 OMFNSNMBDHIZQB-BFUOFWGJSA-N 435.417 5.530 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccccc2F)cc1 1862517211 IAWJMKSHLAQWGA-QFIPXVFZSA-N 425.500 5.239 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@H]2c2ccc(O)cc2)cc1 1862529437 GFJYHFWDYAFXTM-QHCPKHFHSA-N 447.918 5.387 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 1862539321 RJKGPZPXVUVLFZ-HXUWFJFHSA-N 432.347 5.934 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(N(CC)CC)cc1 1862624498 YBJWGJVXFZRJSQ-DEOSSOPVSA-N 446.591 5.595 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccccc2F)cc1 1862663794 WYPIBERGPTZPNL-DEOSSOPVSA-N 447.481 5.867 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862672985 JFLVHHIVPKWQDO-WAIKUNEKSA-N 431.463 5.174 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cc(Cl)cc(Cl)c1)c1ccc(F)cc1 1862680160 VOFLGSYYNRKSLR-FQEVSTJZSA-N 448.321 6.044 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccccc1F 1862688487 WZVMLAOIZZLPAZ-QHCPKHFHSA-N 439.527 5.773 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(Cl)cc2)cc1 1862689446 QTUMTMTWEAGALJ-JOCHJYFZSA-N 439.939 5.650 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(C(C)C)cc1 1862726665 MHCUGCFLVAILMO-VWLOTQADSA-N 425.528 6.075 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1Cl 1862743703 DGQQUHPWJQWUBD-SFHVURJKSA-N 449.290 5.280 30 10 IKEE Cc1ccc(C)c(NC2=C(c3ccccc3Cl)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1863077147 DCSJLJDTWHFXCW-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(Nc2ccccc2C#N)=C(c2ccccc2[N+](=O)[O-])C1=O 1863245905 LPKGUCYXPUUYEC-GOSISDBHSA-N 446.507 5.017 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(Cl)cc2)=C(c2ccc(C)c(C)c2)C1=O 1863248930 CXJWJDIWCHOBNB-UHFFFAOYSA-N 438.999 6.509 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(F)c(C)c2)C(=O)N(C2CCCC2)C1=O 1863787488 INWSJKAUTMZHPO-UHFFFAOYSA-N 428.592 5.887 30 10 IKEE C=CCOc1ccccc1/C=C1/C(=O)N(Cc2ccccc2F)N=C1c1ccc(OC)cc1 1865666556 MBUOCGVRBQQTRV-HAVVHWLPSA-N 442.490 5.229 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2Cl)c(=O)cc1CSC(C)C 1870230738 NFAJDQTWILCAAB-UHFFFAOYSA-N 436.061 7.083 30 10 IKEE Cc1ccc(SCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2C[C@H]2CCCO2)cc1 1870233498 SCQDUJKCBIINLA-HSZRJFAPSA-N 446.572 5.079 30 10 IKEE C=CCOc1cn(Cc2ccc(O)cc2)c(CSc2nc3ccccc3s2)cc1=O 1870244950 PPKYUMFVXQNIDK-UHFFFAOYSA-N 436.558 5.069 30 10 IKEE CCCCCCCCn1cc(OCCOC(C)C)c(=O)cc1CSc1ccccn1 1870293115 IKMRDTAFDZQYOO-UHFFFAOYSA-N 432.630 5.700 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc(Cl)c2)cn1Cc1cccc(C)c1 1870407417 ZDVJZBMDMAEIDA-UHFFFAOYSA-N 448.994 5.611 30 10 IKEE C#CCOc1cn(Cc2ccncc2)c(CNc2cc(C(C)C)cc(C(C)C)c2)cc1=O 1871007169 PPQBMXQMLVNVIH-UHFFFAOYSA-N 429.564 5.163 30 10 IKEE CCCCCCCCn1cc(OCCCCC)c(=O)cc1CNc1cc(C)cc(C)c1 1871130003 CNMWINXCGXUASS-UHFFFAOYSA-N 426.645 7.007 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871405591 CYQFKGZJPXEHBU-OQLNFPPLSA-N 427.500 5.634 30 10 IKEE Cc1cc(OCc2cccc3ccccc23)cc2c1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O2 1871435124 ZLEKBIGAJROHLG-QFEZKATASA-N 437.451 6.252 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1cccs1)C2=O)Nc1ccc(C(F)(F)F)cc1 1871443141 QZFCUMROKNWGNM-ODLFYWEKSA-N 445.418 5.401 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCCC(=O)Nc3ccccc3)cc(C)c2C1=O 1871446555 DPNQYJLUNVNCJN-JLPGSUDCSA-N 443.499 5.418 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4Cl)cc(C)c3C2=O)cc1 1871455201 FYKKUAKTFJJSNE-QRVIBDJDSA-N 447.918 5.845 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4Cl)ccc3C2=O)cc1 1871455860 ZMTCKAYRUGBDID-QRVIBDJDSA-N 449.890 5.372 30 10 IKEE C=CCN([C@H](CC(C)C)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1cccs1 1872212524 BCHOQTKEACDFLO-HXUWFJFHSA-N 448.654 5.276 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cccc(Cl)c1C)c1ccccc1)S(=O)(=O)CCCC 1872433125 IFQAXLGQWGFTLH-QFIPXVFZSA-N 449.016 5.336 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 1872612444 DOJCAMGHJOUTOI-XMMPIXPASA-N 444.641 5.272 30 10 IKEE N#C[C@@H](C(=O)/C(=C\c1ccccc1)c1ccccc1)c1nc(-c2ccccc2Cl)cs1 1872764392 LUBPTFRWJNZKFG-GYZZIOIESA-N 440.955 6.881 30 10 IKEE CC(C)c1ccc(-c2csc([C@H](C#N)C(=O)/C(=C\c3ccccc3)c3ccccc3)n2)cc1 1872776595 SPKPHMPWBAVDMC-ARDUGYFRSA-N 448.591 7.351 30 10 IKEE COc1ccccc1C(=O)[C@@H](C#N)c1nc(-c2cc(Cl)cc(Cl)c2OC)cs1 1872778454 LOQOBFKPULSOBB-CQSZACIVSA-N 433.316 5.624 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)c3ccc(-n4cccc4)cc3)n2)cc1C 1872787491 KSAIVWFLICCBMK-OAQYLSRUSA-N 427.529 5.716 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccccc3[N+](=O)[O-])n2)c2ccccc12 1872788038 VXUIZOLDCNVJGN-IBGZPJMESA-N 443.484 5.299 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCCCC)=C(c2cc(F)c(F)cc2F)C1=O 1873062782 ZNGJPPURFOWMSH-UHFFFAOYSA-N 438.534 5.714 30 10 IKEE CCCCCCCCCCNC(=O)c1cc2c(N(CC)CCCC)ncnc2n1CCC 1873574914 JIBINHVDXZWXNH-UHFFFAOYSA-N 443.680 6.338 30 10 IKEE C=C(C)CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1cccn1C 1874217401 LCUDWPVLQGYGRR-FOKLQQMPSA-N 429.977 5.016 30 10 IKEE CCCSc1nnc(COc2ccc(OCC)cc2)n1/N=C/c1cccc(OCC)c1 1874236688 VIPOHEHHBSAVKT-LFVJCYFKSA-N 440.569 5.039 30 10 IKEE OCCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1cccc(Cl)c1 1874244803 LJLALISXOFYVIB-MFKUBSTISA-N 445.032 5.047 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1ccc(C(C)(C)C)cc1 1874250187 WQJSZBHTVPUCQK-ZXVVBBHZSA-N 448.636 6.056 30 10 IKEE CCCSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1ccc(C(C)(C)C)cc1 1874327779 GNNXZSACXPRUJF-WGOQTCKBSA-N 436.625 6.156 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccc(C)c(C)c3)n2/N=C/c2ccncc2)c1 1874331050 RTOMTWNCBZRKGQ-OGLMXYFKSA-N 441.604 5.558 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccc(Cl)cc3)n2/N=C/c2cccnc2)c1 1874342904 OPMYXYDSGKGVLG-JFLMPSFJSA-N 447.995 5.709 30 10 IKEE Oc1cccc(/C=N/n2c(Cc3ccccc3F)nnc2SCc2ccc(F)cc2)c1 1874373422 JEAFOZYENBFZGG-VULFUBBASA-N 436.487 5.027 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3ccccc3C)nnc2[C@H](C)c2ccccc2)cc1 1874392902 XZMVLARWADTYAW-ADIMLFFHSA-N 426.589 6.221 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3cccc(F)c3)nnc2[C@H](C)c2ccccc2)c1 1874393954 XOWAHOFCFPNRIR-BWJYWGHISA-N 430.552 6.052 30 10 IKEE C(=N/n1c(Cc2ccccc2)nnc1SCc1cccc2ccccc12)\c1cccnc1 1874418910 OGPMYDJEIQGDMO-MTDXEUNCSA-N 435.556 5.592 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2-c2ccccc2)cc1 1874428621 RSTSMSGUEDWXJR-WGOQTCKBSA-N 428.561 5.745 30 10 IKEE Fc1cccc(CSc2nnc([C@H]3CCCO3)n2/N=C/c2c(F)cccc2Cl)c1 1874444091 AGBWSYVCZUGNJC-SFQCIDFKSA-N 434.899 5.236 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C(C)(C)C)cc1O 1874485265 MECSSRAAUSQIQE-FSJBWODESA-N 430.961 5.118 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C2CCC2)cc1 1874497532 NYAXPTQMGWRNDL-WYMPLXKRSA-N 431.392 6.335 30 10 IKEE CC(C)(C)c1ccc(/C=N/n2c(S)nnc2CCCOc2ccc3ccccc3c2)cc1 1874569333 RVIWBAGPZYMEQW-OVVQPSECSA-N 444.604 5.911 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OCc1cccc2ccccc12 1874600326 GOPRPMOVQYRWTO-WYMLVPIESA-N 436.551 7.249 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)c(OCC)c1 1874600397 KIIIVANEMTUKBK-XNTDXEJSSA-N 447.487 5.867 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(Cl)c1OCc1ccccc1 1874603368 PABQEXRLJPODLB-NTCAYCPXSA-N 442.942 7.367 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OCc1cccc2ccccc12 1874613505 XWEFKXPXEPWNTN-WYMLVPIESA-N 428.915 6.977 30 10 IKEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3cccc4ccccc34)cc2Cl)o1 1874623485 FQKYSBATSBVSGN-FMIVXFBMSA-N 446.886 6.348 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2)c(Cl)c1)c1ccc(Oc2ccccc2)cc1 1874628050 JLBZKZWKELSBSM-GZTJUZNOSA-N 440.926 7.607 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OC(=O)c1cccc([N+](=O)[O-])c1 1874697392 VEUHMRBUBSGTMK-PKNBQFBNSA-N 437.835 5.372 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)CC)c2)cc1OCCC 1874699941 UMEOARLFUQNWCV-DHZHZOJOSA-N 426.509 5.484 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1OC(=O)c1cncc(C)c1 1874718874 OKUGREUGOCTFOF-XVNBXDOJSA-N 442.298 5.821 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1ccccc1F 1875095909 NKZKQMPTKFUYLJ-GXDHUFHOSA-N 426.443 6.103 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2[N+](=O)[O-])cc1 1875127305 YCEYNESXHPJGBN-RVDMUPIBSA-N 445.471 5.428 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)COCc3ccccc3)c(Cl)c2)ccc1F 1875141569 KNNSORAFCHQLMI-YRNVUSSQSA-N 438.882 5.806 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1ccc(N(C)C)cc1 1875142572 JLUIMTMCCDXNCO-MKMNVTDBSA-N 447.506 5.714 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(F)c(Br)cc1F 1894881743 PUWWUHQFIWFIMD-DLBZAZTESA-N 433.337 5.237 30 10 IKEE C[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)CN1C(=O)OC(C)(C)C 1900295168 AXORYJSZBLRLCL-QRQCRPRQSA-N 435.952 5.373 30 10 IKEE C=C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(C)C)[C@@H](CCCC)C(=O)O 1927515253 YACKMBUARHQUDL-IGKIAQTJSA-N 435.564 5.997 30 10 IKEE CC(C)(C)OC(=O)Nc1ccccc1[C@@H](C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1929828991 NAPGHZYABSTCLA-OAQYLSRUSA-N 437.540 6.036 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1944587201 BECFRQMYJIFXJN-HJPURHCSSA-N 449.979 5.669 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@](NC(=O)OC(C)(C)C)(C(C)C)C(F)(F)F 1950530355 LIQXIWWBVRCEMR-SIKLNZKXSA-N 444.538 5.219 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 2005382657 NPEHWMMPPRTMOA-HSZRJFAPSA-N 449.979 5.765 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)C2(C#N)CC(CCNC(=O)OC(C)(C)C)C2)cc1 2007656990 OKAGACAAPODUGT-UHFFFAOYSA-N 429.561 5.324 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C)NCCC 2022686788 IUKUFQURKIJSHW-SFTDATJTSA-N 438.559 5.162 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Br)ccc1Cl)NCC 2047968259 QBFQUYHVVQHIQP-DLBZAZTESA-N 431.802 5.093 30 10 IKEE C=CCN(CCC(=O)Cc1cc(Cl)c(C)c(Br)c1)C(=O)OC(C)(C)C 2048642972 NOCMPHCZTFIHHV-UHFFFAOYSA-N 430.770 5.336 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)CCC12CCC2 2057367903 VWJYWNRZIPWYGI-QFIPXVFZSA-N 448.568 5.140 30 10 IKEE CC#CCC[C@@H](NCCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071268390 XFDWNFAOJIOEBV-HHHXNRCGSA-N 427.588 6.689 30 10 IKEE C=CCN[C@H](C(=O)OCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071357187 QORPTOQZVYJEHN-SANMLTNESA-N 431.532 5.224 30 10 IKEE N#CC1([C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCCCC1 2071358421 SLVVLWGIPGQLRR-HHHXNRCGSA-N 427.544 6.352 30 10 IKEE CC(C)(C)[C@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)(F)F)c(C=NO)c1N 2079971271 FBDXCHXFENQSQE-ZDUSSCGKSA-N 426.336 5.086 30 10 IKEE CCCOc1ccc([C@@H](C2CCC2)n2nc(C3(C)CC3)c(C=NO)c2Br)cc1 2080070265 BUTWYUGGVRABKD-LJQANCHMSA-N 446.389 5.684 30 10 IKEE O[C@@H](CC#CC1CCCCC1)c1ccc(I)c(Br)c1 2093463278 SDFQXACKGHRKCO-INIZCTEOSA-N 433.127 5.061 30 10 IKEE C=CCN(CC[C@@H](NCC)c1ccc(Br)c(F)c1F)C(=O)OC(C)(C)C 2099294069 AMYNXVUKJDTOCV-OAHLLOKOSA-N 433.337 5.191 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CC12CCC(Nc1ccc(Br)cc1C#N)CC2 2158248898 GUFRKYXNNPUCIK-NNDYNSRJSA-N 434.378 5.206 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(CCCNc2cc(Br)ccc2C#N)cn1 2169162465 OLJTZKNRQJRJBZ-UHFFFAOYSA-N 431.334 5.107 30 10 IKEE CC(C)CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(C#N)c(Br)c1 2174808474 OQWXGOKDZHVXNI-SFHVURJKSA-N 436.394 5.183 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2cc(Br)cc(C#N)c2)c2ccccc21 2174810207 JOYGUCWQGODQOQ-GOSISDBHSA-N 428.330 5.428 30 10 IKEE OC1(C#Cc2sc(Br)c(Br)c2Br)CCCCC1 2216408960 BQEBUYIEIGLJFT-UHFFFAOYSA-N 442.998 5.082 30 10 IKEE CCCCCCC[C@@H](NC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237421185 BUIYJPCYZHHKAN-UXHICEINSA-N 441.454 5.833 30 10 IKEE N#CC1(NC(=O)CCCNC(=O)OCC2c3ccccc3-c3ccccc32)CCCCCC1 2243917199 PZBAETZZQWRFDH-UHFFFAOYSA-N 445.563 5.038 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cccc(Cl)c1Br 2259399006 UZALSKFQGOUXTC-NVXWUHKLSA-N 431.802 5.613 30 10 IKEE C=CCN(CC[C@@H](O)c1cc(Br)cc(C(C)(C)C)c1)C(=O)OC(C)(C)C 2273013155 XYJLDYXTDCPMSA-GOSISDBHSA-N 426.395 5.593 30 10 IKEE C#C[C@H](C)[C@@H](OCCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2275035957 ZNEPGRVQLHSPJW-RBTNQOKQSA-N 444.527 5.646 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCC(=O)O)c1ccc(Br)c(Cl)c1F 2275813777 AJGPDWZOVIODLB-IBGZPJMESA-N 443.696 5.157 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NC)c1cc(Br)cc(C(C)(C)C)c1 2288654003 FYSJAYBKXNDVON-RTBURBONSA-N 439.438 5.867 30 10 IKEE COc1cc(C=CC(=O)c2ccc(N3CCCCC3)cc2)ccc1CSc1ccccc1 2294898602 MCXHJECOEGPMSD-UHFFFAOYSA-N 443.612 6.874 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)C(C)(C)[C@@H](C)NC(=O)OC(C)(C)C 2296216875 ONBBCBTZGFQCPD-APWZRJJASA-N 437.422 5.108 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)C(C)(C)CCCNC(=O)OC(C)(C)C 2296308211 FFDXLPVWCFYJSD-LJQANCHMSA-N 437.422 5.110 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CCCN(Cc2ccccc2)C1 2296309087 QJCWTEPAORSUAP-ISKFKSNPSA-N 425.414 5.081 30 10 IKEE Cc1cc(C)c2nc(N3C(=O)C(=O)C(=C(O)c4ccco4)[C@H]3c3cccc(F)c3)sc2c1 2296936021 VFYCESCPIZMDQX-HXUWFJFHSA-N 448.475 5.272 30 10 IKEE COc1cccc(C=NC[C@]2(O)CC[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]32C)c1O 2297472090 PFLCXOYUUHWAGR-YNSRUVRMSA-N 439.640 5.984 30 10 IKEE CCCCO[C@H]1Oc2ccc(C)cc2C(=O)C1=CN=c1[nH]c2c(Cl)cccc2s1 2297532620 IDRMWPKNUVIWBO-NRFANRHFSA-N 428.941 5.394 30 10 IKEE CN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)cc2)SC1=Nc1ccccn1 2314541457 MBNNLKHTWLDFKT-UHFFFAOYSA-N 435.936 5.548 30 10 IKEE CCN1C(=O)C(=Cc2ccccc2OCc2ccccc2Cl)SC1=Nc1ccccn1 2314541876 REODKIAFDVOADB-UHFFFAOYSA-N 449.963 5.938 30 10 IKEE O=C1C(=Cc2ccc(Br)cc2)SC(=Nc2nccs2)N1C1CCCCC1 2314543050 UKNVBSGRDZJOFX-UHFFFAOYSA-N 448.411 5.842 30 10 IKEE CCCOc1c(C=Nn2c(SCc3ccccc3F)nnc2C2CC2)cccc1OC 2320856195 KFLHJXXXGIYTJM-UHFFFAOYSA-N 440.544 5.267 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(C2CC2)n1N=Cc1c[nH]c2ccccc12 2320867870 XDUHDDRQRCAQAM-UHFFFAOYSA-N 442.375 6.118 30 10 IKEE Cc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCc2ccc(F)cc2)C4)cc1 2321937011 FFKIUWGTPDDHEV-UHFFFAOYSA-N 429.491 5.453 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O3)CN(C[C@H]1CCCO1)CO2 2321961926 LCAMSINGFVBDNM-OAHLLOKOSA-N 446.330 5.249 30 10 IKEE COc1cccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN([C@@H]2CCCC[C@@H]2C)C4)c1OC 2322146240 WXRZMQRLZNJCRH-OXJNMPFZSA-N 449.547 5.359 30 10 IKEE CC(C)Oc1ccc(C=Nn2c(S)nnc2COc2ccc(Cl)cc2Cl)cc1 2322260159 KKXSEFHVUVJQQE-UHFFFAOYSA-N 437.352 5.122 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccc(F)cc2)cc1OC 2322350257 NISRMYDSYDKOJA-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccccc2)c1OCC(=O)Nc1cc(C)cc(C)c1 2322545766 MVAQCGDXXXHPFS-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE C=C(C)COc1c(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(Br)cc1OC 2322687614 ZUQJRSQBKNAVPC-UHFFFAOYSA-N 443.381 6.606 30 10 IKEE Cc1c(OC(=O)c2cccc(Cl)c2)ccc2c1OC(=Cc1c(F)cccc1Cl)C2=O 2322914349 JSSHHQILMWHFNK-UHFFFAOYSA-N 443.257 6.276 30 10 IKEE Cc1cc(OC(=O)c2cccc(Cl)c2)cc2c1C(=O)C(=Cc1ccc(C(C)C)cc1)O2 2322915990 MTCOVEFTBMKFOE-UHFFFAOYSA-N 432.903 6.607 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1OCC(=O)Nc1nccs1 2323047755 YDNQGNLUODFUTD-UHFFFAOYSA-N 444.512 5.219 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1 2323078577 ODBMVVSYLUCUMK-UHFFFAOYSA-N 441.571 6.560 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc3C2=O)cc1 2323203657 RKRXKHNRFBENJM-UHFFFAOYSA-N 446.502 6.349 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OCc3cc(C)ccc3C)c2)cc1C(C)C 2323232250 URSHBZOSOPNMHS-UHFFFAOYSA-N 428.572 7.219 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OC(=O)CC4CCCCC4)c3C)C2=O)c1OC 2323485850 WIWLUWXBXSRKCP-UHFFFAOYSA-N 436.504 5.504 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccccc1F 2323530442 IJFMETQBLPSOGO-UHFFFAOYSA-N 445.317 7.006 30 10 IKEE CSc1nnc(Cc2ccccc2)n1N=Cc1cc(Cl)c(OCC(C)C)c(Cl)c1 2323582751 PQDCKIVJAVHIPP-UHFFFAOYSA-N 449.407 5.815 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccccc1 2323870616 LORCNSCXTWTMRT-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 2323921263 PLYDFBDNUBKZPE-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE CCCNC(=O)COc1ccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1Cl 2324281693 YTDOXJSXEYZQHZ-UHFFFAOYSA-N 449.934 5.933 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 2324522655 YOKILYZXJWOCJF-UHFFFAOYSA-N 437.879 6.040 30 10 IKEE Cc1c(OCCCCOc2ccccc2)ccc2c1OC(=Cc1ccccc1Cl)C2=O 2324584963 ZTJQJAGESVZFIU-UHFFFAOYSA-N 434.919 6.503 30 10 IKEE CCOC(COc1cc(C)c2c(c1)OC(=Cc1ccc(Cl)cc1Cl)C2=O)OCC 2324741848 DMSKNTROSRPDJV-UHFFFAOYSA-N 437.319 5.696 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(C)cc3)n2)c(OCC)c1 2324765342 GNHWPHYSCRJSME-NRFANRHFSA-N 432.545 5.806 30 10 IKEE CCn1cc(C=C2Oc3cc(OCc4ccccc4)cc(C)c3C2=O)c2cc(OC)ccc21 2324844821 WDBZFJCNNJMCAX-UHFFFAOYSA-N 439.511 6.173 30 10 IKEE CCCCCCCCCOc1cc(C)c2c(c1)OC(=Cc1c(F)cccc1Cl)C2=O 2325196518 RAQXPNKHYKWWPQ-UHFFFAOYSA-N 430.947 7.533 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2c(c1C)OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2325198587 XKJJLGPTADFAIU-UHFFFAOYSA-N 449.591 5.936 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(OC)c(O)c1 2325565308 RPADHHCNYWXXMA-UHFFFAOYSA-N 432.549 5.273 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1c(F)cccc1Cl 2325572134 FZSOCHVMTDCKDR-UHFFFAOYSA-N 441.334 5.990 30 10 IKEE CCCCOc1ccc(C=Nn2c(C)nnc2SCc2c(F)cccc2Cl)cc1 2325645493 AGWKNMSBTJCOIK-UHFFFAOYSA-N 432.952 5.732 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)CCC)c2)cc1OCCC 2325726638 CRXJCXAQMDBXKN-UHFFFAOYSA-N 440.536 5.874 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OC(=O)c1c(OC)cccc1OC 2325739833 HHZICJQKNADFAV-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1OC(=O)CCOc1ccccc1 2325753178 NRGQTYPARFWSML-UHFFFAOYSA-N 438.426 5.244 30 10 IKEE C=CCSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1ccccc1O 2325913576 QEKDEBNDCKPSHV-UHFFFAOYSA-N 435.336 5.030 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccccc1OC 2326015908 DJEQJPNDXOOZQB-UHFFFAOYSA-N 442.972 5.112 30 10 IKEE CCc1nnc(SCc2ccc(Br)cc2)n1N=Cc1ccc(Cl)cc1 2326619082 AXQRUWPDZOFTIC-UHFFFAOYSA-N 435.778 5.431 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3)n2N=Cc2ccccn2)cc1C 2328945942 PMTGCUNKDCIXBA-UHFFFAOYSA-N 427.577 5.250 30 10 IKEE C=CCSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1cccc(OCCC)c1 2328959836 VQGVTTKGJHDPDH-UHFFFAOYSA-N 434.609 5.629 30 10 IKEE Cc1ccccc1C=Nn1c(CCOc2ccccc2)nnc1SCc1ccc(F)cc1 2329162392 AKZWLRRMNFPGBF-UHFFFAOYSA-N 446.551 5.522 30 10 IKEE COc1ccccc1C=Nn1c(Cc2ccccc2F)nnc1SCCc1ccccc1 2329750647 YIFAKGWHVWZNCI-UHFFFAOYSA-N 446.551 5.234 30 10 IKEE Clc1ccc(C=Nn2c(COc3ccccc3)nnc2SCCc2ccccc2)cc1 2329919476 FSJQJEHRJIXNLJ-UHFFFAOYSA-N 448.979 5.728 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1 2330678488 VMLIDALAKBHZBO-UHFFFAOYSA-N 442.511 5.698 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OC(=O)C(C)(C)C 2330807328 KXCXKVZRXVGMLE-UHFFFAOYSA-N 437.319 5.858 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(-n3cccc3)cc2)cc1)c1ccc([N+](=O)[O-])cc1 2331017996 FDDWBRKTEWAKIH-UHFFFAOYSA-N 438.439 5.501 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 2331081374 SMMNDUMTBBOQSI-UHFFFAOYSA-N 444.527 6.117 30 10 IKEE C=CCSc1nnc(C2CCCC2)n1N=Cc1ccc(OCc2ccc(C)cc2)cc1 2331081383 UNRLNDFDCZRJQF-UHFFFAOYSA-N 432.593 5.983 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3F)cc2Cl)cc1 2331089728 DRHLLNQDKRFCKB-UHFFFAOYSA-N 442.845 6.132 30 10 IKEE COc1ccccc1C=Nn1c(SCc2cccc(Cl)c2)nnc1C(F)(F)F 2331154867 VZQNIXGOVIRJJN-UHFFFAOYSA-N 426.851 5.133 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OC(=O)Cc1ccccc1F 2331174140 YUJPRCCGHXMUHS-UHFFFAOYSA-N 438.882 5.922 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)c3ccccc3)c(OC)c2)cc1 2331212983 ZTIJGVFJQULQMG-IBGZPJMESA-N 430.500 5.699 30 10 IKEE COc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3)cc2Cl)cc1 2331266010 QTOXJHLDSQLUPU-UHFFFAOYSA-N 436.891 5.538 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)COCc1ccccc1 2331345773 XHQNNGFGOULSQL-UHFFFAOYSA-N 448.490 5.551 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)Cc1ccccc1Cl 2331349004 JBEKQVKSXZFVRL-UHFFFAOYSA-N 438.882 5.840 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC(=O)Cc1ccc(C)cc1 2331370264 TUWSBYYHRBVJHY-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(C(C)C)cc1 2331467569 GEYJCQFBDPRSKX-UHFFFAOYSA-N 427.017 6.428 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)c(C)c3)cc2)c1 2331674027 WEPUPMXAFQJMRI-UHFFFAOYSA-N 444.527 6.216 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(N(C)C)cc3)c(Cl)c2)cc1C 2331706407 MQWZDQJZFKEMJR-UHFFFAOYSA-N 433.935 6.138 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)Cc1cc(C)ccc1C 2331779966 JLLVRFJCEATFHP-UHFFFAOYSA-N 442.555 6.282 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)c(OC)cc2C)ccc1OC(=O)c1ccc(F)cc1 2331852009 UEMDHHKCHMKGTG-UHFFFAOYSA-N 448.490 5.965 30 10 IKEE C=CCC(CC=C)[C@H](NCC)c1ccc(Br)cc1I 2338737309 CBXYONLOZNSGGM-INIZCTEOSA-N 434.159 5.473 30 10 IKEE CC(C)(C)OC(=O)Nc1ccccc1Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339604264 NDHNRSGBNTZABE-UHFFFAOYSA-N 438.333 5.866 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(C)c(C)c(Br)c(C)c1C 2345959300 WQACETKWRBHDOJ-VQIMIIECSA-N 425.411 5.413 30 10 IKEE CC1(C)OB(/C=C/c2ccc(N[C@@H]3C[C@H]4C[C@@H](C3)N(Cc3ccccc3)C4)nc2)OC1(C)C 2365130251 SJVJMBUFOAUKSA-VDWVSCKXSA-N 445.416 5.191 30 10 IKEE CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)ccc1O 21219837 OVDYNYMQVCVDSU-DNOBIOAJSA-N 444.506 5.910 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc3ccccc23)cc1 21257372 JNVYXHLKDPNUOF-HYBUGGRVSA-N 425.528 5.633 30 10 IKEE O=C(Oc1ccc(/C=C2/Sc3ccccc3C2=O)cc1)c1ccc(Cl)cc1Cl 33347590 IUZVZCXMSWUNFC-RGVLZGJSSA-N 427.308 6.542 30 10 IKEE O=C1/C(=C/c2c(Cl)cccc2Cl)Oc2cc(OCc3ccccc3Cl)ccc21 38320960 GUBGACDGOSEULU-NHDPSOOVSA-N 431.702 6.842 30 10 IKEE CCCCC1CCC(C(=O)c2c(C)c(C#N)c(=O)n(Cc3ccccc3Cl)c2O)CC1 38626419 QAOCMWFMLBOCGO-UHFFFAOYSA-N 440.971 5.615 30 10 IKEE Cc1oc(-c2ccc(Br)cc2)cc1C(=O)Nc1sc2c(c1C#N)CCCC2 40179457 SYZDOJJHFKHQEX-UHFFFAOYSA-N 441.350 6.082 30 10 IKEE COc1cc(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cc(Cl)c1O 59245992 LQJZTJBZWHJNOY-DHRITJCHSA-N 447.000 5.808 30 10 IKEE C#CCn1cc(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c2ccccc21 59246012 RGURHEDPMWHNAX-OGLMXYFKSA-N 443.616 6.028 30 10 IKEE C=CCOc1ccccc1[C@H]1CC(=O)Nc2c1sc(C(=O)O)c2-c1ccc(OC)cc1 64796722 HDEBSVYQEQZSFK-QGZVFWFLSA-N 435.501 5.161 30 10 IKEE N#Cc1cccc(CSc2nc(=O)c3c(-c4ccc5c(c4)CCCC5)csc3[nH]2)c1 96535373 HMEZGWPZCBMIMV-UHFFFAOYSA-N 429.570 5.694 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1ccc(OCC(C)C)cc1 100443850 AJNBNHHVVCDQRS-UHFFFAOYSA-N 434.690 7.236 30 10 IKEE COC(=O)c1ccc2c(c1)C(=O)/C(=C\c1cn(-c3ccccc3)nc1-c1ccc(C)cc1)O2 102852069 VJUIQCFHUDGWAP-BUVRLJJBSA-N 436.467 5.251 30 10 IKEE COc1ccc(C(=O)/C=C\Nc2ccc(N/C=C\C(=O)c3ccc(OC)cc3)cc2)cc1 109006307 LHEGFAUWEYPCOX-IQRFGFHNSA-N 428.488 5.321 30 10 IKEE C[C@H](Nc1ccc(Br)cc1C#N)c1ccc(I)cc1 132126197 TXTXHEGOTVFTEU-JTQLQIEISA-N 427.083 5.098 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C)cc2C)cc1 169925771 ZTVMJAJHPKIIJP-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE CCN1C(=S)N[C@@H](c2ccc(OCc3cc(C)ccc3C)c(OC)c2)C(C(C)=O)=C1C 169933218 NBFSFLFAQSYCLA-DEOSSOPVSA-N 438.593 5.005 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccc(O)cc1)c1cccc(Cl)c1 169958521 DJPCDOFIWISYKA-FQEVSTJZSA-N 441.817 5.107 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@H]1c1cccc(OC(C)C)c1 169981202 LWLDZKPLHAFYFY-RUZDIDTESA-N 435.564 5.561 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2)c1 170036395 HWINHLLMEAIVAT-QFIPXVFZSA-N 433.891 5.522 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccccc2OC)=C(N2CCc3ccccc32)C1=O 170060095 GOOYZOXIKVDVPU-UHFFFAOYSA-N 432.564 5.198 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)C)cc2)cc1C 170067187 NSXGPHYBSZPJSS-XMMPIXPASA-N 445.515 5.499 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccccc2C)cc1 170088295 PSTGFNBPQVHYAZ-QFIPXVFZSA-N 435.426 5.065 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]2c2ccco2)c1 170093879 WTFYXOXJVGNAQB-HXUWFJFHSA-N 441.405 5.698 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(C)o2)cc1 170101395 WFHFUOHUHCTJCB-QHCPKHFHSA-N 443.455 5.516 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(O)cc1 170132924 RGFANLUBFYUVJK-NRFANRHFSA-N 449.890 5.146 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(C(C)(C)C)cc1 170149806 UJXHIBICCAJHSI-RUZDIDTESA-N 445.603 6.241 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccs2)cc1 170161533 CAOHNBATMWHLDN-JOCHJYFZSA-N 433.529 5.628 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1cccnc1 170188442 CFFYZOFUROHGKP-NRFANRHFSA-N 448.906 5.143 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccccc2)c1 170225409 SJIUPARQGZTMTQ-VWLOTQADSA-N 441.527 5.875 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccccc2)cc1C 170225602 LLEQFBVUGGGLCE-VWLOTQADSA-N 441.527 5.793 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccccc1)c1ccc2c(c1)CCO2 170226651 RPJSNTGNSFVSPB-QFIPXVFZSA-N 431.875 5.058 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2ccccc2F)cc1 170249499 YJBRCEMXAOAWQE-XMMPIXPASA-N 443.474 5.242 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1ccccc1C 170277533 BNPOWTJZSLVNPY-JOCHJYFZSA-N 433.504 5.518 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC(C)C)c(C)c3)[C@H]2c2ccco2)cc1 170287717 JGZGERWXKKGKCS-XMMPIXPASA-N 445.515 5.714 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1ccco1 170290298 BOANBPYTIFCCGW-HXUWFJFHSA-N 437.879 5.341 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccc(C)o2)cc1 170300062 SHBHCTVGEKVCEP-HSZRJFAPSA-N 431.488 5.386 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2c2cccc(C)c2C)o1 170302399 VDIUNCFENFKIPD-RUZDIDTESA-N 441.527 5.867 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2sccc2C)c1 170312485 LGPUKNVOWXCTHX-IBGZPJMESA-N 439.558 5.295 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1c1ccccc1 170314983 ZVHILSWOPSBOHY-JOCHJYFZSA-N 425.509 5.993 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C2CCCC2)cc1O 170322918 DBFVNGRTNROOKL-DEOSSOPVSA-N 443.499 5.075 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccc(O)c(Cl)c2)cc1 170368382 DISDFYQSAZLGEY-QHCPKHFHSA-N 447.918 5.754 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1)c1ccco1 170421196 FDGODHMTDDWVAK-LJQANCHMSA-N 427.378 5.077 30 10 IKEE CCCCCCCCCCCCCC[C@@H](OS(=O)(=O)c1ccc(C)cc1)C(=O)OC 207015499 ABGQWYBWRQCJHN-HSZRJFAPSA-N 440.646 6.333 30 10 IKEE COc1cc(/C=C\C(=O)N[C@H](c2ccc(Cl)cc2)c2ccsc2)ccc1OCC#N 213986978 WCLJNGHETJPSOT-BFKIFKNXSA-N 438.936 5.231 30 10 IKEE CCCCCCC[C@](C)(C(=O)O)N(CC)C(=O)OCC1c2ccccc2-c2ccccc21 226789076 UVKWIIZZZGICIV-HHHXNRCGSA-N 437.580 6.461 30 10 IKEE O=C1Nc2ccc(Cl)cc2/C1=C1\SC(=Nc2ccccc2)N(c2ccccc2)C1=O 252625622 QNTRTJMGXWKNAD-RVXGYWATSA-N 431.904 5.471 30 10 IKEE CCCN1C(=O)/C(=C/c2cc(Cl)c(O)c(Cl)c2)SC1=Nc1ccc(OC)cc1 254379411 XQEHCVCZTGGBMR-BPHBXOPHSA-N 437.348 5.722 30 10 IKEE CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C/C(=C/c5cnn(C)c5C)C(=O)[C@@]4(C)CC[C@H]32)C1 254714474 JMQZWPIAQPSGBR-PPNPWPBBSA-N 436.596 5.185 30 10 IKEE O=C1/C(=C\c2cccc(C(F)(F)F)c2)SC(=Nc2ccccc2)N1Cc1ccco1 254834523 BUQUYMMABQGASJ-OAHXEOETSA-N 428.435 6.103 30 10 IKEE C=C(COC(C)C)[C@H](NCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 407104745 AVZJQDRKSOAMAK-SFHVURJKSA-N 427.383 5.428 30 10 IKEE CC(C)COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccc(O)c2)c1 526489640 XCWAHRHIJIVIND-RUZDIDTESA-N 440.499 5.356 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccc(F)c2)cc1 526604856 RFNFXBCVOLEAKN-XMMPIXPASA-N 428.463 5.543 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 526772396 HWAJMFMVKGKAEJ-QHCPKHFHSA-N 445.946 6.420 30 10 IKEE CCCOc1cc(/C=N\n2cnnc2SCc2ccc(C(C)(C)C)cc2)ccc1OC 526805857 RGVPDVMNSHJYOK-YSMPRRRNSA-N 438.597 5.548 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2sccc2C)c1 526808443 JDQRZGZEXMSSSD-XYGWBWBKSA-N 432.618 5.916 30 10 IKEE Fc1cccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2cccc(Cl)c2)c1 526812589 BSIUFXCJFYUKDT-YSMPRRRNSA-N 436.943 5.836 30 10 IKEE CCCCCOc1ccc(/C=N\n2cnnc2SCc2ccccc2Cl)cc1OC 526815693 JNNURGCWKVJDBL-QFEZKATASA-N 444.988 5.684 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1cccc(Cl)c1 526817804 BSVWNGNDUDIGPG-MSXFZWOLSA-N 437.371 6.241 30 10 IKEE CCc1nnc(SCc2ccc(C(=O)OC)cc2)n1/N=C\c1ccc(Cl)c(Cl)c1 526827980 QTCGPWBILTWFNW-KSEXSDGBSA-N 449.363 5.108 30 10 IKEE N#Cc1cccc(CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 586241769 QPKUKDFXIRXHDV-UHFFFAOYSA-N 435.307 5.400 30 10 IKEE C=CCN(CC=C)C(=O)Nc1cccc(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)c1 586684245 JVKMMIKMYTUCMJ-UHFFFAOYSA-N 432.549 5.577 30 10 IKEE CN=c1scc(-c2ccccc2Br)n1N=C1CCC(c2ccccc2)CC1 606347473 GSWZMERWYPEZCC-UHFFFAOYSA-N 440.410 6.072 30 10 IKEE CCCCCCCCCC[C@H](CCN(Cc1ccccc1)C(=O)OC(C)(C)C)NCCC 701327068 MAOLYMSFEHYETQ-AREMUKBSSA-N 446.720 7.713 30 10 IKEE Oc1cccc(C=Nc2ccc(Cc3ccc(N=Cc4cccc(O)c4O)cc3)cc2)c1O 1084178796 WVUOUEYVWFMKKO-UHFFFAOYSA-N 438.483 5.601 30 10 IKEE Cc1ccccc1/C=C1\SC(=Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C1=O 1088692005 PWGUPOWBRFQKPY-RNJGGXIZSA-N 439.367 7.110 30 10 IKEE Cc1nc(O)c2ccc(C(=O)N(Cc3ccc(Cl)cc3)c3cccc(C#N)c3)cc2n1 1529431747 CPQNVIXWQANVHY-UHFFFAOYSA-N 428.879 5.016 30 10 IKEE Cc1nc(NCC(=O)N[C@](C)(C#N)C2CCCCC2)c2cc(-c3ccccc3)sc2n1 1586348953 KUEPLIHCMOKZKJ-XMMPIXPASA-N 433.581 5.057 30 10 IKEE N#Cc1cnn(-c2ccc3ccccc3n2)c1NC(=O)c1cnc(C2CCCCC2)s1 1859742209 WCOBJNPWXDFVJX-UHFFFAOYSA-N 428.521 5.049 30 10 IKEE Cc1ccc(/C=C/C(=O)N2CC=C(c3ccc(OC(=O)c4cccc(C#N)c4)cc3)CC2)cc1 1860676642 DADRSIXSDJLSOW-NTEUORMPSA-N 448.522 5.415 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] 1861129624 JAXRAPGQAXDZER-ZSVKVYQISA-N 445.604 5.540 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)COc1ccc(CCC)cc1 1861656754 NFKQZLVAJLBYRI-SANMLTNESA-N 432.649 5.560 30 10 IKEE N#Cc1ccc(NC(=O)c2cc(CCc3ccccc3)n(-c3ccc(Cl)cc3)n2)cc1 1862329611 OFZXBBWZNFUGMP-UHFFFAOYSA-N 426.907 5.435 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CCCCCO)cc1 1862379918 OJWNQCAPBBXNAI-FQEVSTJZSA-N 448.346 5.043 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccc(C)cc2)cc1 1862389545 IEOSTFBXERWJPW-VWLOTQADSA-N 440.543 5.511 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862406464 QJHAPWZIYOPZQH-RBZFPXEDSA-N 448.346 5.687 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CCCCC2)cc1 1862433432 BNEKDJMQSAMKCX-JOCHJYFZSA-N 439.939 5.650 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2cccc(F)c2)c1 1862445549 YGUXZXHFVBBWAN-QHCPKHFHSA-N 449.909 5.874 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccccc2F)cc1 1862474731 SPKOLFXFSKVNSS-XMMPIXPASA-N 429.491 5.264 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C)cc2)cc1 1862475152 FKHVZRFEHIDSKV-FNZWTVRRSA-N 439.555 6.205 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC(C)C)c(OC)c1 1862483495 BDRCJBALVWFCJW-SBUREZEXSA-N 437.536 5.168 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccccc2F)cc1 1862490460 WDWFSUFOWBHWLC-RUZDIDTESA-N 443.518 5.572 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2Cl)c1 1862490999 JHODGFXVVKIODH-OAQYLSRUSA-N 437.948 5.797 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862501410 BRDJFXHNGFFHTR-HSZRJFAPSA-N 449.453 5.060 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cccc(F)c1)c1cccc(Br)c1 1862525283 YTSLSLJWPNWKPW-LJQANCHMSA-N 444.300 5.109 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 1862531515 PBQVUAWHIJKNDJ-VWLOTQADSA-N 445.603 6.458 30 10 IKEE CCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccccc1 1862532387 HFRFMOJRYMRZJK-SANMLTNESA-N 447.619 6.968 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cccc(O)c1 1862545436 ZZLKSNQJMRVBDU-DEOSSOPVSA-N 433.548 5.430 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C(C)C)cc1 1862554311 ZTCRBGCLILLEBJ-VWLOTQADSA-N 447.575 5.731 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2ccc(F)cc2)cc1 1862555826 JBYCBVQHUFAVAP-UPCLLVRISA-N 444.506 5.310 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2c(Cl)cccc2Cl)cc1F 1862643742 UUVLONKXDWBTOI-GOSISDBHSA-N 438.282 5.128 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccc(F)cc1)c1cccc2ccccc12 1862649965 KOLZLFSWWPPJPH-VWLOTQADSA-N 443.518 6.280 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccccc2Cl)cc1 1862659998 DMPMQMMDOTUYMD-HSZRJFAPSA-N 446.934 5.637 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(C(C)C)cc2)=C(O)C(=O)N1[C@H]1CCCC[C@@H]1C 1862660276 JMENVCPZTOILPW-BFMBIBTESA-N 431.576 6.275 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccc3c(c2)CCCN3C)cc1 1862667481 CDMJRYTXQYVCDZ-XMMPIXPASA-N 432.564 5.179 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(O)cc1 1862673008 AMCDYLGRSCCJMM-SIKLNZKXSA-N 425.500 5.469 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccccc3C(F)(F)F)C2=O)cc1 1862897967 PHWFJKLUTKIHCL-UHFFFAOYSA-N 447.416 5.282 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccccc2)=C(c2ccc(F)c(C)c2)C1=O 1863458243 TWEPGLFGMQGWDK-UHFFFAOYSA-N 436.571 6.467 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cccc(C)c2C)=C(c2cccs2)C1=O 1863471322 NGNXASXJZDHMMO-UHFFFAOYSA-N 438.637 6.698 30 10 IKEE CCCCCCCCN1C(=O)C(NCCc2ccc(C)cc2)=C(c2ccccc2F)C1=O 1863648139 NVZZNXCXDNNIIB-UHFFFAOYSA-N 436.571 5.407 30 10 IKEE C=CCOc1cn(CCCOC(C)C)c(CSc2nc3ccccc3s2)cc1=O 1870245817 FZBYRDVYUUWUNC-UHFFFAOYSA-N 430.595 5.130 30 10 IKEE CCCCCCCCn1cc(OCCOC(C)C)c(=O)cc1CSc1ccccc1 1870293087 HOWRFVILZPZMRW-UHFFFAOYSA-N 431.642 6.305 30 10 IKEE CCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CNc1ccc2nc[nH]c2c1 1871058443 FZSAPBLAXNLOKJ-UHFFFAOYSA-N 436.600 6.042 30 10 IKEE CCc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2cc(C)ccc2C)C4)cc1 1871349345 PJBVYERBWQZHNP-WGARJPEWSA-N 439.555 6.143 30 10 IKEE C=CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871389877 SCBGYFARZNDOIX-IWIPYMOSSA-N 426.468 5.704 30 10 IKEE CCCCCCOc1cc(C)c2c(c1)O/C(=C\c1ccc(OC)c(OC)c1OC)C2=O 1871399861 YADSJCILOPTYNP-STZFKDTASA-N 426.509 5.596 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCCCCOc4cccc(C)c4)cc(C)c3C2=O)cc1 1871403670 TWRKHDROSCXOQW-ONUIUJJFSA-N 428.528 6.466 30 10 IKEE Cc1ccc(OCCCOc2ccc3c(c2C)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871406662 SWDCYEXIXLDJOK-JLPGSUDCSA-N 434.919 6.421 30 10 IKEE Cc1cc(OCc2c(Cl)ccc(Cl)c2Cl)cc2c1C(=O)/C(=C/c1ccccc1)O2 1871428131 KJVQWLYIHCOINF-JMIUGGIZSA-N 445.729 7.150 30 10 IKEE CC(=O)c1ccccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccccc1C)C2=O 1871442111 ZQZZBSYDSGWDQW-OYKKKHCWSA-N 441.483 5.140 30 10 IKEE CC(=O)Nc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 1872768832 CZEVCUGAPIUIPZ-INIZCTEOSA-N 444.343 5.494 30 10 IKEE N#C[C@@H](C(=O)/C=C/c1cccc(Cl)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872769475 SNKABGYINUVKRY-SZTZYQKNSA-N 433.747 6.660 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC2CCCCC2)=C(c2cccc(OC)c2)C1=O 1873045004 ZTNKRGFHTGLZLA-UHFFFAOYSA-N 440.628 5.838 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(C)cc2)C(=O)N(C2CCCCCC2)C1=O 1873143439 NBYNCPRYKKEPOG-UHFFFAOYSA-N 438.656 6.528 30 10 IKEE CCSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1sccc1C 1874204478 DWZNUTYJYPOVMM-AWQFTUOYSA-N 427.382 5.528 30 10 IKEE C=CCSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1ccc(C)cc1 1874209433 ISGLAJQLYHXIMW-HYARGMPZSA-N 427.371 5.100 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccc(Cl)cc3)n2/N=C/c2ccccn2)c1 1874281231 YDRXISRWGRRPQH-JVWAILMASA-N 447.995 5.595 30 10 IKEE COc1cccc(CCc2nnc(SCc3ccc(C)cc3)n2/N=C/c2ccco2)c1 1874308102 GIBYKVRNCODMHT-PCLIKHOPSA-N 432.549 5.148 30 10 IKEE Cc1ccc(CSc2nnc(CCCOc3ccccc3)n2/N=C/c2cccs2)cc1 1874315143 DKVTYMKACQRSRG-KOEQRZSOSA-N 448.617 5.834 30 10 IKEE Clc1ccccc1CSc1nnc(CCOc2ccccc2)n1/N=C/c1ccncc1 1874346241 DVDJKFKSCGTXPI-WGOQTCKBSA-N 449.967 5.123 30 10 IKEE C=CCSc1nnc(COCc2ccccc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874354839 DPMJLLVPZGBEKI-FSJBWODESA-N 433.364 5.462 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(F)cc3)n2/N=C/c2sccc2C)c1 1874378827 VSIFEDVMCXUNII-AFUMVMLFSA-N 436.581 5.861 30 10 IKEE C=C(C)CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1c(OC)ccc2ccccc12 1874395066 CMNANIGFINYJFR-BWJYWGHISA-N 442.588 6.142 30 10 IKEE C=C(C)CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1ccc(OCCCC)cc1 1874395786 VUHIWVAANMTSDR-UBYGEMSKSA-N 434.609 6.159 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(CC3CCCCC3)n2/N=C/c2ccccc2)c1 1874406108 AOIQHLBZBUHRQV-YZSQISJMSA-N 447.608 5.322 30 10 IKEE CCc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCC(=O)OCC(C)C)cc1 1874408530 BHJZYWNXLYAICB-MFKUBSTISA-N 442.629 5.137 30 10 IKEE CC(C)(C)c1ccc(/C=N/n2c(SCc3ccccc3F)nnc2[C@@H]2CCCO2)cc1 1874445194 AWRUWWIWGGRDLH-YYHBXHNPSA-N 438.572 5.741 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1/N=C/c1ccc(C(C)C)cc1 1874477807 IKSZYPHJBMQQEI-WGOQTCKBSA-N 449.624 5.666 30 10 IKEE CCCCc1nnc(SCCc2ccccc2)n1/N=C/c1ccc(N(CC)CC)cc1 1874478831 UQXFRJUKVVIMTN-LHLOQNFPSA-N 435.641 5.684 30 10 IKEE CC(C)(C)c1nnc(SCc2ccccc2Cl)n1/N=C/c1cccc2ccccc12 1874484222 LEVHISGCAGJRRJ-CVKSISIWSA-N 434.996 6.557 30 10 IKEE CCCOc1ccccc1/C=N/n1c(CC(C)C)nnc1SCc1cccc(F)c1 1874489177 DQGOIUZQGJHNGS-MFKUBSTISA-N 426.561 5.579 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C(C)C)c1 1874515653 JPNZTKSFWQFKRK-FOKLQQMPSA-N 435.380 5.891 30 10 IKEE O=C(COc1ccccc1/C=C/C(=O)c1ccc(-c2ccccc2)cc1)Nc1nccs1 1874570995 ROXUCRQTUUMTBL-CCEZHUSRSA-N 440.524 5.724 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OC)c1OCc1cccc2ccccc12 1874580888 KQVQAXMDMMPUQK-FOCLMDBBSA-N 438.523 6.641 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2cccc(Cl)c2)c(C)c1C 1874586533 RVAQRDGGIMDDPL-ACCUITESSA-N 436.935 6.449 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccc(C)cc3C)c2)cc1OC 1874594241 ZVCXVCFUWOZPRH-FMIVXFBMSA-N 445.515 5.234 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 1874610312 LXECLCCWSXWKCC-FMIVXFBMSA-N 426.871 5.971 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Cl)c1OCc1ccccc1F 1874611257 DZKDJFKOBXPIPP-JXMROGBWSA-N 446.852 6.631 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc(F)c(C)c3)ccc2OC)c1 1874704034 UCYLQTOPFAXVHM-XYOKQWHBSA-N 434.463 5.657 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)CC(C)(C)C)c2)cc1 1874708437 CJANOAVVLGGECY-QGOAFFKASA-N 436.592 7.274 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)C34CC5CC(CC(C5)C3)C4)c2)c(C)c1 1874716396 PZORSENGVHRWNU-BQYQJAHWSA-N 428.572 6.630 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(Cl)s2)CSc2nnc(C3CC3)n21 1874850053 STFORCUDRKKVQG-HNNXBMFYSA-N 439.050 5.933 30 10 IKEE CCCCCCCCC(=O)N1[C@H](C)CSc2nnc(COc3c(C)cccc3C)n21 1875042582 PLTRJPMHBWWNHM-LJQANCHMSA-N 430.618 5.183 30 10 IKEE Cc1cccc(C)c1OCC(=O)Oc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1 1875084906 GOSJJRDAZONDFU-SDNWHVSQSA-N 431.444 5.092 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1 1875094632 BMABMGWGYUPJCT-QGOAFFKASA-N 436.507 6.283 30 10 IKEE O=C(Cc1ccccc1Cl)Oc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1Cl 1875121154 BWKSAWRGQORRSQ-CSKARUKUSA-N 445.729 6.691 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc([N+](=O)[O-])c1OC(=O)C1CCCC1 1875124701 XYXWXEGXDIXSAX-ZHACJKMWSA-N 443.883 5.639 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OC(=O)c1ccc(F)cc1F 1875127015 KVGHHTLXNNWAGJ-DHZHZOJOSA-N 442.845 6.132 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)Cc1ccc(C)cc1 1875137754 CLAIITYXDCNSRV-OUKQBFOZSA-N 444.527 5.673 30 10 IKEE Cc1cc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2)ccc1F 1875149124 ZQWIWUSCCLNRPB-LZYBPNLTSA-N 430.519 6.476 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2)CC1 1875150215 BVDIBFIOVBRIJQ-OQLLNIDSSA-N 434.532 6.213 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC 1875163622 UVDDLOROTUQQNC-MDZDMXLPSA-N 444.955 6.391 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)c(F)c3F)cc2)c(OC)c1 1875179144 VLFRXWIHDUXVKQ-LFYBBSHMSA-N 442.389 5.236 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N1CCC[C@H](C)C1)n2CC(C)C 1875210652 OBANIRHOSNIPBU-FQEVSTJZSA-N 427.637 5.732 30 10 IKEE Cc1ccc(Nc2nc(C)cc(Nc3ccc(NC(=O)Cc4ccc(C#N)cc4)cc3)n2)cc1 1891839552 GZZBMXLSPQLEBK-UHFFFAOYSA-N 448.530 5.634 30 10 IKEE C=C(C)CCSC(C)(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1892307271 IPSVZYTZCQYTSS-QFIPXVFZSA-N 439.577 5.456 30 10 IKEE C=C1CCC(C[C@@H](NCCC)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)CC1 1946537171 BRGJZWPIOQAVHG-RPWUZVMVSA-N 430.633 5.601 30 10 IKEE CC#CCC[C@H](NCCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997458655 OCZAMFWLCCRIEU-OZXSUGGESA-N 428.617 5.002 30 10 IKEE C=CCCCCCCCC[C@H](O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2026312146 FWBPVIPQXUJBBB-ZEQRLZLVSA-N 433.633 6.154 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2032216267 HCIXRKXSUOHPSY-MZNJEOGPSA-N 447.551 5.544 30 10 IKEE O=C(C=Cc1ccc(F)cc1Cl)c1c(O)nc2ccc(Cl)cc2c1-c1ccccc1 2054618889 JXJFMJNOQPFLSN-UHFFFAOYSA-N 438.285 6.949 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)cc1Br)NCCC 2063098769 IKPNPIGCJURRTQ-SJORKVTESA-N 431.802 5.093 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2071501013 MEOPFIBTHNFAOQ-KNOQFWTLSA-N 447.620 5.628 30 10 IKEE Cc1ccc([C@@H](C2CCC2)n2nc(C(F)(F)F)c(/C=N/O)c2Br)cc1F 2079007097 NBYQFOPGSAUSHA-VKKHMPROSA-N 434.231 5.310 30 10 IKEE CCCc1ccc([C@@H](n2nc(C(F)(F)F)c(C#N)c2Br)C2(C)CC2)cc1 2079894895 LUTGKGLGDMFVAX-MRXNPFEDSA-N 426.280 5.878 30 10 IKEE Cc1nn([C@@H](c2ccc(C(F)(F)F)cc2)C(C)(C)C)c(I)c1C#N 2080029601 AUSHRIJGPVZDAJ-AWEZNQCLSA-N 447.242 5.322 30 10 IKEE COc1ccc(-c2c(C3CCCC3)nn3c(Cl)c(C#N)cnc23)c(Br)c1 2081198315 PMXCWFWEPGKNOC-UHFFFAOYSA-N 431.721 5.350 30 10 IKEE C=CCCCCCC[C@@H](NC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2085838413 CVPVDTMORSQQEU-SQHAQQRYSA-N 444.660 5.945 30 10 IKEE C=CCC1([C@H](Cc2cc(Cl)cc(Br)c2)NC)CN(C(=O)OC(C)(C)C)C1 2110498136 OAVXUUFJPVRAKW-KRWDZBQOSA-N 443.813 5.046 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1cccc(F)c1Cl 2119569655 VQJHODMHNWMUQU-INIZCTEOSA-N 439.712 6.248 30 10 IKEE C#CCN1CCC[C@H](NCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1 2139344630 BGMRYZVRMNAIQM-MHZLTWQESA-N 440.587 5.032 30 10 IKEE C=CCCCCCCCC(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2220085691 XNTHLKCHWWVELZ-UHFFFAOYSA-N 442.644 6.032 30 10 IKEE C=C(C)CC[C@@H](NCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229107129 GFFPYULGFVRFHV-RTBURBONSA-N 425.411 5.219 30 10 IKEE CCCCCCCC[C@](C)(CO)N(C(=O)OCc1ccccc1)c1ccccc1Cl 2240556331 OJOYLMPLWGVJKH-RUZDIDTESA-N 432.004 6.985 30 10 IKEE Cc1c(Br)sc([C@H](C#N)N(C[C@H]2CCCO2)C(=O)OC(C)(C)C)c1C 2254664395 HNAXEKNSKPBCKT-KGLIPLIRSA-N 429.380 5.108 30 10 IKEE Cc1c(Br)sc(C(=O)C=Cc2ccc(NC(=O)OC(C)(C)C)cc2)c1C 2265883105 FAPXUWUBUXEYHL-UHFFFAOYSA-N 436.371 6.371 30 10 IKEE O=C1NC(=Nc2ccc(F)cc2)SC1=Cc1cn(Cc2ccccc2F)c2ccccc12 2313558289 XEOAAYWTCYOMPT-UHFFFAOYSA-N 445.494 5.859 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2Cc2ccccc2)c1 2314477357 FUGNRLJSNVXWFJ-SANMLTNESA-N 439.511 5.263 30 10 IKEE CC(=C1SC(=Nc2nccs2)N(C2CCCCC2)C1=O)c1ccc([N+](=O)[O-])cc1 2314541686 AUUOKNJOVCSQKY-UHFFFAOYSA-N 428.539 5.378 30 10 IKEE Cc1ccccc1COc1ccc(C=Nn2c(S)nnc2CCc2cccs2)cc1 2321988220 GMHHMFFTOZQHKY-UHFFFAOYSA-N 434.590 5.183 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O3)CN(C1CCCC1)CO2 2322016137 FTAFIBOEPNCZCV-UHFFFAOYSA-N 430.331 6.013 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1cn(C)c4ccccc14)O3)CN(C1CCCCC1)CO2 2322016389 UGFLJLLCVYOASJ-UHFFFAOYSA-N 428.532 5.588 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc3c2CN(CCc2ccc(C)cc2)CO3)C1=O 2322218228 VLPFUMDCYNGUJW-UHFFFAOYSA-N 427.500 5.014 30 10 IKEE O=C1C(=Cc2ccccc2F)Oc2c1ccc1c2CN(CCCCc2ccccc2)CO1 2322249350 PYDHBGYUUHBNIN-UHFFFAOYSA-N 429.491 5.617 30 10 IKEE COc1ccc(CCN2COc3c(cc4c(c3C)OC(=Cc3ccc(C)cc3)C4=O)C2)cc1 2322288736 ATAQRRUDOLWCKH-UHFFFAOYSA-N 441.527 5.323 30 10 IKEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1ccccc1Cl)NC1CCCCC1 2322436796 AWBSACNMTGEMGQ-UHFFFAOYSA-N 432.347 5.717 30 10 IKEE CC(C)(C)n1ncc(NN=Cc2cccc(OCc3ccc(Cl)cc3)c2)c(Cl)c1=O 2322601336 FLXCPWBJAJKATQ-UHFFFAOYSA-N 445.350 5.330 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccccc2OCC(=O)Nc2c(C)cccc2C)cc1C 2322981295 KLNBYHFBYBDEAQ-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE Cc1ccccc1NC(=O)COc1cccc(C=CC(=O)c2ccc(Cl)cc2Cl)c1 2323076014 MXQBVQSUBKVVDD-UHFFFAOYSA-N 440.326 6.215 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OCC(=O)Nc2ccc(C)cc2C)c1 2323177436 QXTIBILQFMWMPH-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)Cc4cc(Cl)ccc4Cl)ccc3C2=O)cc1 2323404037 NFRRFMAHYMKRMG-UHFFFAOYSA-N 439.294 6.066 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2)cc([N+](=O)[O-])c1OCc1ccccc1 2323570750 QBKUSDPFPWIORR-UHFFFAOYSA-N 447.487 5.786 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)c3cc4ccccc4oc3=O)cc(C)c2C1=O 2323579583 VBOQPCAXDLEFNF-UHFFFAOYSA-N 438.435 5.245 30 10 IKEE CCCCCCOc1ccccc1C(=O)C=Nn1c(Cc2ccccc2)nnc1SC 2323581509 MXIZFPAMAMQVDZ-UHFFFAOYSA-N 436.581 5.267 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-])Nc1ccccc1 2323767133 XAHFVFJNUCIBNE-UHFFFAOYSA-N 436.851 5.162 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc(OCC)cc4)c3C)C2=O)cc1 2323791704 WOPPFFKNHSBTDF-UHFFFAOYSA-N 444.483 5.628 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1Cl 2323854739 UUHRJCGHZVMYSW-UHFFFAOYSA-N 447.962 6.433 30 10 IKEE CCCOC(=O)COc1c(OC)cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1OC 2324055399 JYLUZCHDQUKEAN-UHFFFAOYSA-N 440.536 5.229 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OCc1cccc(C)c1 2324169542 BRBQJCGBRNCVSR-UHFFFAOYSA-N 448.990 7.646 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(OC)c1OCc1cc(C)ccc1C 2324261364 XIRKYNFFEAMZBF-UHFFFAOYSA-N 448.509 6.794 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1 2324370445 ZLVLGINJNRJAMB-MRXNPFEDSA-N 433.891 5.671 30 10 IKEE COc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)OC(=Cc1sccc1C)C2=O 2324474175 BHTFOMIECMDLPQ-MRXNPFEDSA-N 449.528 5.396 30 10 IKEE Cc1cccc(OCCOc2cc(C)c3c(c2)OC(=Cc2c(F)cccc2Cl)C3=O)c1 2324537025 DNKYATOYZGSCLT-UHFFFAOYSA-N 438.882 6.170 30 10 IKEE CCOC(COc1ccc2c(c1C)OC(=Cc1ccc(Cl)cc1Cl)C2=O)OCC 2324741758 FSZPBAPWTGICFM-UHFFFAOYSA-N 437.319 5.696 30 10 IKEE COc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1OC 2324817355 UPKAAZJMMMQPGR-ZDUSSCGKSA-N 430.938 5.432 30 10 IKEE CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2cccc(F)c2)C3=O)c1 2324825701 MADNKEOXKHWXKA-MRXNPFEDSA-N 445.446 5.051 30 10 IKEE N#C[C@H](C(=O)C=Cc1cccc([N+](=O)[O-])c1)c1nc(-c2cc(Cl)ccc2Cl)cs1 2324834578 XLWMHLPTKROCGB-MRXNPFEDSA-N 444.299 5.915 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2c(c1C)OC(=Cc1ccc(OCC)cc1)C2=O 2325198508 IGOWYMVPQZGAKP-UHFFFAOYSA-N 437.536 5.037 30 10 IKEE COc1ccc(C=C2Oc3cc(OCCc4ccc(C)cc4)ccc3C2=O)c(OC)c1OC 2325367111 QFWMAHLJCWTIGD-UHFFFAOYSA-N 446.499 5.259 30 10 IKEE CCCOc1c(C=Nn2c(CCC)nnc2SCc2ccc(C)cc2)cccc1OC 2325541305 YLHYJQQDQDUMTP-UHFFFAOYSA-N 438.597 5.511 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)CCOc3ccccc3)c2)cc1 2325704656 JOCBVCXBPHRADZ-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)cc1 2325715051 UKEARZUJBFCRQS-UHFFFAOYSA-N 441.527 5.926 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OC(=O)COc2c(C)cccc2C)c1 2325743567 OIUUYCMXURKTCD-UHFFFAOYSA-N 430.500 5.501 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1c(C)n(CC)c2ccccc12 2326444471 QZYKTIYTWVZMEV-UHFFFAOYSA-N 445.636 6.305 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccccc1OCC 2326714434 YNHBLSXAFDAQNJ-UHFFFAOYSA-N 449.407 6.111 30 10 IKEE Fc1ccccc1CSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccco1 2327956891 VIBIEGBAYFNOJB-UHFFFAOYSA-N 440.931 5.623 30 10 IKEE CCCSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1cc(Cl)ccc1O 2328568832 ZTYQUKJNYGTREP-UHFFFAOYSA-N 430.961 5.011 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2OC)n1N=Cc1c[nH]c2ccccc12 2328687901 FWOSJDFOXBVLFK-UHFFFAOYSA-N 431.565 5.104 30 10 IKEE Fc1cccc(C=Nn2c(Cc3ccccc3F)nnc2SCCc2ccccc2)c1 2329750378 DGXZZTOIIODFRN-UHFFFAOYSA-N 434.515 5.364 30 10 IKEE Clc1ccccc1CSc1nnc(COc2ccccc2)n1N=Cc1cccnc1 2329919319 OPSOUMVBSLCUMT-UHFFFAOYSA-N 435.940 5.080 30 10 IKEE CCOc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccc(C)cc2)cc1 2330221699 QLBOAMUBFJBHRS-UHFFFAOYSA-N 448.636 6.283 30 10 IKEE COc1ccccc1C=Nn1c(SCc2cccc(Cl)c2)nnc1-c1cccs1 2330603472 YDWXHDUGOGNUHI-UHFFFAOYSA-N 440.981 5.843 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(-c2ccccc2)n1N=Cc1ccncc1 2330678599 XWOJDQAHLLAUTE-UHFFFAOYSA-N 440.359 5.821 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(Cl)c1OC(=O)C(C)(C)C 2330690315 AYKVMEJRWKEIKU-UHFFFAOYSA-N 440.967 6.465 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)CC3CCCCC3)c(Cl)c2)cc1 2330831065 KWAJNQXMZLEOKV-UHFFFAOYSA-N 438.995 7.455 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(O)c(O)c1 2330867481 XQLQNJFWXQZYRI-UHFFFAOYSA-N 430.961 5.106 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCCC3)n2N=Cc2cn(C)c3ccccc23)c1 2331071719 GSVITAZECSBCGX-UHFFFAOYSA-N 443.620 6.219 30 10 IKEE COc1ccccc1C=Nn1c(SCc2ccc(Cl)cc2)nnc1C1CCCC1 2331092930 YAILZGUSMJCRMA-UHFFFAOYSA-N 426.973 5.772 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1ccc(OC)cc1 2331286565 KTIATPNIJFFIAE-UHFFFAOYSA-N 442.511 5.856 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc([N+](=O)[O-])cc1 2331404453 IAKWTTNUXDLVRE-UHFFFAOYSA-N 429.933 5.312 30 10 IKEE COc1cc(C=Nn2c(CC(C)C)nnc2SCc2ccccc2)cc(Cl)c1O 2331452191 QIGUHALSSZJICM-UHFFFAOYSA-N 430.961 5.019 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)Cc2ccc(F)cc2F)cc1 2331659329 JIOYCAIOVHKTFX-UHFFFAOYSA-N 436.454 5.634 30 10 IKEE COC(=O)c1nc(-c2cccs2)oc1NN=Cc1ccccc1OCc1ccccc1 2331931897 FYZPCGMIYVGEMP-UHFFFAOYSA-N 433.489 5.215 30 10 IKEE CC(C)c1cc(C(C)C)cc(-n2nnc(C#N)c2NC(=O)C=Cc2ccc(Cl)cc2)c1 2332187682 ZCBLLYWAJFVCBB-UHFFFAOYSA-N 433.943 5.691 30 10 IKEE CSc1cccc(Oc2cc(Br)cc(I)c2)c1C#N 2338667150 QOOFZPYMHSTYOC-UHFFFAOYSA-N 446.107 5.440 30 10 IKEE Cc1cccc(NC(=O)N(Cc2ccccc2)[C@H](C)C2CC2)c1B1OC(C)(C)C(C)(C)O1 2352784388 WRSRLUYANOPCDL-LJQANCHMSA-N 434.389 5.127 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Br)cc(OC2CC2)c1 2362709910 RMWHEGQLAUTVLD-RTBURBONSA-N 439.394 5.110 30 10 IKEE CC1(C)OB(c2ccc(NCc3ccccc3OCc3ccccc3)c(C#N)c2)OC1(C)C 2364740703 CXWPRDUETWAZBZ-UHFFFAOYSA-N 440.352 5.049 30 10 IKEE COc1cc(OC)c(OC)cc1/C=C1/Oc2cc(OCc3ccc(C)cc3)ccc2C1=O 2099414 KHOSNNIXTTXMDZ-BRJLIKDPSA-N 432.472 5.216 30 10 IKEE C=CCn1c(S[C@H](C)C(=O)c2ccccc2)nc2scc(-c3ccc(C)cc3)c2c1=O 8950474 ZDCMQGYTTGKSOM-QGZVFWFLSA-N 446.597 5.983 30 10 IKEE C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccccc1OC 10230420 OUIWDUQTDXQKOI-ZDUSSCGKSA-N 446.935 5.052 30 10 IKEE C=CCOc1ccc(C(=O)Nc2ccc(OCCCCCC)cc2)cc1Br 14669293 AELDHKJCHFAWFS-UHFFFAOYSA-N 432.358 6.225 30 10 IKEE CC(C)Oc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccnc2)cc1 20885037 BFJHTKQSUAGPAC-CCLHPLFOSA-N 425.532 5.848 30 10 IKEE Cc1cc(C)c2c(c1)C(=O)/C(=C\c1cn(-c3ccccc3)nc1-c1cc3ccccc3o1)CC2 25395241 WGMIEBJBQNZPGT-JWGURIENSA-N 444.534 7.115 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2)S/C(=N/c2ccncc2Cl)N1C1CCCCC1 39864613 BHXUXQMUBJBVEW-AVIKPBSTSA-N 432.376 6.325 30 10 IKEE C=CCc1ccccc1OCc1nc2ccccc2n1CCCCOc1ccc(OC)cc1 39907178 HITDVFHCFLJYDD-UHFFFAOYSA-N 442.559 6.212 30 10 IKEE C=CCc1ccc(OCCn2c(CCCCCNC(=O)CC)nc3ccccc32)c(OC)c1 40211116 GVYXRLJZCSXSFL-UHFFFAOYSA-N 449.595 5.091 30 10 IKEE O=C(Nc1cccc(-c2csc(N/N=C/c3c[nH]c4ccccc34)n2)c1)c1ccccc1 40570788 BVIJHWOIVLWDJC-JFLMPSFJSA-N 437.528 5.990 30 10 IKEE CC(C)(C)NC(=O)CSc1nc2ccc(/N=C/c3cc(Cl)ccc3O)cc2s1 59517506 QMACFVFYNFGMDG-LSHDLFTRSA-N 433.986 5.413 30 10 IKEE C[C@@H]1CCc2c(sc3nc(SCc4cccc(C#N)c4)n(-c4ccccc4)c(=O)c23)C1 96535357 VIHCTYUQCCGJGR-MRXNPFEDSA-N 443.597 5.736 30 10 IKEE CC[C@H]1S/C(=N/N=C/c2ccc(OC)c(OC)c2)N(Cc2cccc3ccccc23)C1=O 97447334 ZETWLCDQKVYEKX-BUMUASTJSA-N 447.560 5.101 30 10 IKEE C=CCN1C(=O)c2ccccc2N[C@H]1c1c(OCCCCCCC)ccc2ccccc12 100140751 QJVAWHLQMXXDEH-HHHXNRCGSA-N 428.576 6.942 30 10 IKEE C=CCOc1ccc(NC(=S)NC(=O)c2ccc(OCCCCCCC)cc2)cc1 100157584 LQJKRQPSIILRMX-UHFFFAOYSA-N 426.582 5.727 30 10 IKEE COc1cc(/C=N/Nc2ccc(F)cc2)ccc1OCc1ccc(Br)cc1 169878957 BUVBUGCQWXZJKX-ZMOGYAJESA-N 429.289 5.622 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2cccs2)cc1 169984371 QBDNOXURDVLGQI-FQEVSTJZSA-N 439.920 5.501 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@H]2c2cccs2)s1 169986799 ZCFXTMDHLJISQS-KRWDZBQOSA-N 444.965 5.566 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2ccncc2)cc1C 170018787 GEOKMROOVYBPLF-JOCHJYFZSA-N 432.907 5.443 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2ccncc2)cc1 170019342 SMEXRAHMSOCGNH-JOCHJYFZSA-N 432.907 5.389 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2ccccc2)cc1 170049067 DZZDBUBMAGTXQP-RUZDIDTESA-N 439.511 5.528 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(F)cc1)c1cc2ccccc2o1 170065285 HIHXAJUSOPVTGT-QHCPKHFHSA-N 445.421 5.490 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)o1 170101063 RXNXGZUNUDMXTP-LJQANCHMSA-N 429.806 5.303 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(C)o2)cc1 170101398 WFHFUOHUHCTJCB-HSZRJFAPSA-N 443.455 5.516 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2cccc(C)c2)cc1C 170140372 VLLYKMTXOPIPSN-DEOSSOPVSA-N 445.490 5.542 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccc(C)c2)cc1C 170141103 VOGLKAPYBKNJOV-VWLOTQADSA-N 441.527 5.712 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(OC(C)C)cc1 170151952 XJBPRCVECAHZBT-RUZDIDTESA-N 447.575 5.731 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2cccnc2)c1 170185296 STDOCIJHRGLTEH-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@@H]1c1ccncc1 170202125 SETRKBUJYVQQCM-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@H]1c1cccc(OCC)c1 170218510 YRUQHWGJYQAXCX-XMMPIXPASA-N 449.547 5.179 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2)cc1C 170226312 SYFQCBYTXJBIAP-DEOSSOPVSA-N 427.500 5.567 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1ccc(F)cc1 170240261 UICRMLVCHCCSJZ-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(F)cc1)c1ccc2c(c1)CCCC2 170242256 GDTJOJKNJDPGEU-XMMPIXPASA-N 433.523 5.616 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(C(C)C)cc1 170246135 MOBPWPKQFHJLCS-DEOSSOPVSA-N 447.575 5.956 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccc2C)cc1C 170273281 VGFMLIXNYUZNCX-VWLOTQADSA-N 441.527 5.712 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)c(Cl)c2)=C(O)C(=O)N1C1CCCCC1 170275443 FTVMSVOOSUKYNS-NRFANRHFSA-N 444.358 6.213 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@@H]2c2ccco2)cc1 170283352 PLBWTZHFZRUHIJ-HSZRJFAPSA-N 431.488 5.414 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@H]1c1sccc1C 170319481 MNDMQNXXJORDNB-FQEVSTJZSA-N 427.566 5.450 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1cccc2ccccc12)c1ccncc1 170370245 CJRQVPZPMZZWJL-HSZRJFAPSA-N 440.886 5.671 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(CC(=O)O)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 170469127 RNGUORXAYZSHIL-DEOSSOPVSA-N 449.547 5.126 30 10 IKEE O=C(/C=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(NC(=O)c2cccs2)cc1 210043579 OLLGJDMGSUUIQM-QBFSEMIESA-N 444.468 6.065 30 10 IKEE CCOc1cccc(/C=C2/SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)c1 252599923 DMVNZPBABRIATL-DNKROPNVSA-N 428.557 6.511 30 10 IKEE Oc1c(Cl)cc(Cl)cc1C=Nc1cc(C(F)(F)F)ccc1OCC(F)(F)F 252631820 VMRBXAQNCGPVSW-UHFFFAOYSA-N 432.147 6.410 30 10 IKEE O=C(CSc1nnc(NN=C2CCCC2)[nH]1)N1c2ccccc2Sc2ccccc21 253567795 KLQWGBHVCXCPRY-UHFFFAOYSA-N 436.566 5.068 30 10 IKEE CCN1/C(=C2/SC(=Nc3ccccc3)N(c3ccc(F)cc3)C2=O)Sc2ccccc21 254398364 OBWRFYOVKSJAFR-APPJTMTASA-N 447.560 6.395 30 10 IKEE CN1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)SC1=Nc1ccc(N2CCOCC2)cc1 254450316 UHNDKKPQBIPCFW-LXDPFISSSA-N 435.593 5.055 30 10 IKEE COc1ccc(C=Nc2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)s2)c(OC)c1 254488044 ZYQTWHMXXRYSCY-UHFFFAOYSA-N 426.847 6.250 30 10 IKEE CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C/C(=C/c5cn(C)nc5C)C(=O)[C@]4(C)CC[C@H]32)C1 254656110 DXRJBJUDWMWZPC-DUNAETHDSA-N 436.596 5.185 30 10 IKEE CCOc1cc([N+](=O)[O-])cc(C=Nc2ccc(-c3cc4ccccc4oc3=O)cc2)c1O 254814611 JHMBKYHLNBJGFG-UHFFFAOYSA-N 430.416 5.223 30 10 IKEE CCCC(C#N)(CCC)C(=O)Nc1cc(I)ccc1Br 312445425 QUNRBOIRHFFISL-UHFFFAOYSA-N 449.130 5.102 30 10 IKEE CC(C)[C@@]1(C)CSC(=Nc2c(Br)cc(Cl)cc2Br)N1 398511881 RDJUNNHWXBKPBX-CYBMUJFWSA-N 426.605 5.604 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccc(OC(C)C)c2)cc1 526513988 CIMZIHTYKBRBDX-RUZDIDTESA-N 440.499 5.411 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1ccc(OCC)cc1OCC 526804268 KYTBTFIRWRYQRU-XYGWBWBKSA-N 438.597 5.511 30 10 IKEE Cc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2cc(C)cc(C)c2)cc1 526810607 CDYIKZWXGCVQHS-PKAZHMFMSA-N 426.589 5.969 30 10 IKEE CCOc1cc(/C=N\n2cnnc2SCc2ccc(Cl)cc2Cl)ccc1OC 526823326 GUQUOMDCIKPBOV-RMORIDSASA-N 437.352 5.167 30 10 IKEE FC(F)(F)Sc1c(C(F)(F)F)cc(I)cc1C(F)(F)F 575340454 DFEGWACIUQWDQW-UHFFFAOYSA-N 440.068 5.941 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(CCCC#N)c2cccc(C(=O)OC)c2)cc1 586236288 OHTWSAIZHQXBCX-UHFFFAOYSA-N 442.581 5.095 30 10 IKEE CCc1ccccc1N(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(OC(C)C)cc1 586255307 TWGKUTJXXRYSMK-UHFFFAOYSA-N 434.561 5.303 30 10 IKEE C=CCNC(=O)c1ccc(NC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 586686771 XJSKBZGMJBSUMA-UHFFFAOYSA-N 442.544 5.832 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C#N)c1c(Br)cncc1Br 698407386 NSQUSTUBVDYJEF-GWCFXTLKSA-N 447.171 5.207 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCC1)[C@@H](C#N)c1ccc(Br)c2cccnc12 698883857 ZOAOOYOLIGGLJV-SFHVURJKSA-N 430.346 5.742 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@H](C#N)c1cc(Br)c(Cl)s1 698973043 VASPMKVJIAJKRA-CYBMUJFWSA-N 445.741 6.309 30 10 IKEE COCc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)cc1 710708469 OOVYSEAGDIOYND-IBGZPJMESA-N 431.330 5.602 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 724031570 YRVSVWFHMNLDGA-SBUREZEXSA-N 433.524 5.297 30 10 IKEE CCn1cc(C=Nc2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c2ccccc21 1083902775 BMUSKFJAYTWPMZ-UHFFFAOYSA-N 427.573 6.604 30 10 IKEE COc1cc(C=Nc2cc(C(F)(F)F)ccc2Oc2ccccc2)c(O)c([N+](=O)[O-])c1 1084092159 SMRZULLBYTYWOU-UHFFFAOYSA-N 432.354 5.871 30 10 IKEE O=S(=O)(Nc1nccs1)c1ccc(N=Cc2ccccc2OCc2ccccc2)cc1 1084178120 VMFMYPLJBNULIB-UHFFFAOYSA-N 449.557 5.274 30 10 IKEE CC(=NNc1nc(SCc2ccc(Cl)c(Cl)c2)n[nH]1)c1ccc2ccccc2c1 1084224422 IEVFSFYLRFLSSY-UHFFFAOYSA-N 442.375 6.393 30 10 IKEE CCOc1cc(/C=N/N(Cc2ccccc2)c2ccccc2)ccc1OCc1nonc1C 1554647239 LCVDMGHVPOZNAK-WPWMEQJKSA-N 442.519 5.396 30 10 IKEE CC1(C)[C@@H]2CC[C@]1(C)[C@@H](C=Nc1ccccc1N=C[C@@H]1[C@@H]3CC[C@@](C)([C@@H]1O)C3(C)C)[C@H]2O 1565517594 PUXWGFKLGBSUCF-WJTMKNOLSA-N 436.640 5.958 30 10 IKEE Cc1ccc(-n2c(C)cc3c2CC(C)(C)CC3=NOC(=O)c2cccc([N+](=O)[O-])c2)cc1 1772728744 XAMZWYULLBINOE-UHFFFAOYSA-N 431.492 5.536 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)Nc2cccc(C)c2)c(=O)cc1C(=O)O 1857891319 QXGACBIGRUWDKQ-UHFFFAOYSA-N 442.556 5.013 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)c1cc2ccccc2n1C)c1ccccc1 1861393507 VSMRLSKKUUJTTH-SANMLTNESA-N 447.623 5.906 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)CCCOc1c(C)cccc1C 1861677358 DAOVFXLURCIZND-HSZRJFAPSA-N 432.649 5.614 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccc(O)cc2)cc1C 1862401176 VMZZWQBLRGFQLE-DEOSSOPVSA-N 447.531 5.178 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(C(C)(C)C)cc1 1862434953 KUMYBXQSLGLYHH-OAQYLSRUSA-N 425.956 6.016 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccccc2C(=O)O)cc1 1862476499 BAEXKMVZRHDHQY-GAJHUEQPSA-N 441.483 5.033 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCCc2ccccc2)c1 1862490614 ZRLAXOIASBMKNJ-AREMUKBSSA-N 439.555 5.823 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccccc2Cl)c1 1862491380 RMISCQXSKMNFFV-HSZRJFAPSA-N 449.909 5.874 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(Br)cc1 1862496293 GWMGMVPZXYXPJG-LJQANCHMSA-N 428.326 5.054 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862501473 CWCSVRNNZKYSSP-XDHUDOTRSA-N 445.490 5.482 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2Cl)cc1 1862515523 CIYBLOLPWHYTBF-QFIPXVFZSA-N 439.939 5.650 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccc(C)cc2)cc1 1862532242 GRPVZSAXJVLXFB-RUZDIDTESA-N 429.560 6.026 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2[C@H](C)CC)cc1 1862547259 QKYSLSIYYRFOJY-MZNJEOGPSA-N 433.548 5.341 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(Cl)cc1Cl 1862562619 JPRRDEJNKHNQDQ-LJQANCHMSA-N 433.335 5.344 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCOC(C)C)cc1 1862648675 IDMHHHAXLPEVFC-XMMPIXPASA-N 429.516 5.152 30 10 IKEE COc1cc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CCCCC2)ccc1O 1862665267 CKULEYCEZGCESZ-XMMPIXPASA-N 449.547 5.435 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(F)cc1 1862715216 LPNAOVHEGADILP-HGMMTPDKSA-N 443.518 6.136 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(F)c(Cl)c3)C2=O)cc1C 1862873127 XRACGKHQESOXIQ-UHFFFAOYSA-N 445.881 5.364 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cccc4ccccc34)C2=O)cc1 1862893664 LTMXALMUPULXEY-UHFFFAOYSA-N 429.479 5.417 30 10 IKEE Cc1cc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(C(C)C)cc3)C2=O)ccc1F 1863093366 NAGSRSUVPCARHS-UHFFFAOYSA-N 439.490 5.526 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(OC)c2)=C(c2ccc(OC)cc2)C1=O 1863320846 GNSJCIRFXOSSOV-UHFFFAOYSA-N 436.552 5.256 30 10 IKEE CC(C)Oc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 1863356735 JELXVKPCMGAHKO-MBSDFSHPSA-N 443.547 5.116 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2[N+](=O)[O-])C(=O)N(CC(C)C)C1=O 1863593167 OSSKWIUBIQECEH-UHFFFAOYSA-N 429.561 5.061 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1cc(C)c(Cl)cc1OC 1866029952 QWUZAMVSKCZFDO-UHFFFAOYSA-N 438.096 8.857 30 10 IKEE CC[C@](C)(NC(=O)C[C@@H](c1ccc(Cl)cc1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866753685 AVGXKYMLZUTTHD-QPPBQGQZSA-N 425.960 5.265 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccccc1)NC(=O)C[C@@H](c1ccc(C)c(C)c1)C1CC1 1868688310 FXSOQQNTZCDLLL-KAYWLYCHSA-N 444.619 5.115 30 10 IKEE C=CCN(CC=C)c1cc(N2CC[C@H](c3ccc4c(c3)OCO4)C2)nc(-c2ccccc2)n1 1869204395 BZPGHCZTRUFOFY-QFIPXVFZSA-N 440.547 5.045 30 10 IKEE CCCCCCCCCCn1cc(OCc2c(C)cccc2C)c(=O)cc1CSCC 1870277743 VYEXZNDUEMPTFC-UHFFFAOYSA-N 443.697 7.438 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCCC(=O)OCC)cn1CCCCCCCC 1870368602 SKJAJMXAROCFEX-UHFFFAOYSA-N 446.632 5.105 30 10 IKEE C=CCn1cc(OCCc2ccc(OC)cc2)c(=O)cc1CNc1ccc(Cl)c(C)c1 1871051812 YWMXEXDOTMVQPM-UHFFFAOYSA-N 438.955 5.238 30 10 IKEE C=CCn1cc(OCc2ccccc2Cl)c(=O)cc1CNc1cc(Cl)ccc1C 1871241467 ABRDRUROGXAOAR-UHFFFAOYSA-N 429.347 5.841 30 10 IKEE O=C1/C(=C/c2ccc(-c3ccccc3)cc2)Oc2c1ccc1c2CN(CCCCCO)CO1 1871352143 RPDJSYCKPWDBRX-ONUIUJJFSA-N 441.527 5.284 30 10 IKEE CCCCN1COc2c(cc3c(c2C)O/C(=C\c2ccc(-c4ccccc4)cc2)C3=O)C1 1871352521 OBIVUJSHPGPEHA-MYYYXRDXSA-N 425.528 6.230 30 10 IKEE COc1cccc(/C=C2\Oc3c(cc4c(c3C)OCN(C3CCCCCCC3)C4)C2=O)c1 1871355565 NBEVVOUTISKOEY-OYKKKHCWSA-N 433.548 5.885 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(C)c(C)c4)c3C)C2=O)cc1OC 1871372595 AEDUTPQUAFWSET-OYKKKHCWSA-N 444.483 5.464 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc(C(C)C)cc4)ccc3C2=O)cc1 1871380415 NEVUISYEGDPONJ-NNHGJSDKSA-N 438.523 6.607 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCCCCOc4ccccc4C)cc(C)c3C2=O)cc1 1871404627 MKCWYUDXCUTVBS-ONUIUJJFSA-N 428.528 6.466 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccccc4)ccc3C2=O)cc1 1871406578 TVJVWPVBORXIDC-SDPDQUOZSA-N 427.500 5.832 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871409178 ZBFMDIGYABVLPS-SUVVMJBMSA-N 431.463 5.465 30 10 IKEE COC(=O)c1ccc(/C=C2\Oc3c(ccc(OCCc4ccc(C)cc4)c3C)C2=O)cc1 1871437534 GIJYSROWVCJVMU-JLPGSUDCSA-N 428.484 5.328 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc(Cl)c4)ccc3C2=O)cc1 1871454274 GLVBENYBKMDURZ-FMCGGJTJSA-N 449.890 5.372 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)cc1C)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872547671 FHFQSRFXIVMOSG-YKSBVNFPSA-N 442.625 5.232 30 10 IKEE N#C[C@@H](C(=O)Cc1ccc(Cl)c(Cl)c1)c1nc(-c2c[nH]c3ccccc23)cs1 1872777707 UDMFARQCCOJTFT-AWEZNQCLSA-N 426.328 6.017 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)c3ccc(OC(C)=O)cc3)n2)cc1C(C)C 1872779935 UYIZOUGCRFEBRD-NRFANRHFSA-N 448.544 5.666 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@H](C#N)C(=O)Cc3c[nH]c4ccccc34)n2)c1 1872781722 YIFDNUXZCIOAOT-HXUWFJFHSA-N 445.544 5.508 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccccc3OC)n2)c(OCC)c1 1872784056 OYLJNTKVIOCMMR-IBGZPJMESA-N 436.533 5.035 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3cc(Cl)ccc3Cl)n2)c(OC)c1 1872784180 PIVCGWZXLWQLDX-INIZCTEOSA-N 447.343 5.553 30 10 IKEE Cc1cc(C)c(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)n2)c(C)c1 1872785884 BISGHJORCPDQSR-DENIHFKCSA-N 432.589 6.503 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)Cc2ccc(F)cc2F)n1 1872786296 HBDCKUCKXNLZTB-INIZCTEOSA-N 432.879 5.478 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc(COc2ccc(C(F)(F)F)cc2)cc1 1872866474 LIWXFLSVLAGELO-UHFFFAOYSA-N 435.530 7.155 30 10 IKEE CCCCCCCCN1C(=O)C(NCCC2=CCCCC2)=C(c2cccc(OC)c2)C1=O 1873043870 OBAIQGRUWMBOJO-UHFFFAOYSA-N 438.612 5.616 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C)c2)=C(c2c(C)cc(C)cc2C)C1=O 1873331358 HBFOWEDKNOSEIP-UHFFFAOYSA-N 432.608 6.473 30 10 IKEE N#Cc1ccccc1NC1=C(c2cccc(Cl)c2Cl)C(=O)N(Cc2ccccc2)C1=O 1873333904 HKEMGUHOWFAMOI-UHFFFAOYSA-N 448.309 5.257 30 10 IKEE CCCCOc1ccc(/C=N/Nc2oc([C@H]3C[C@H]3c3ccccc3)nc2C#N)cc1OCC 1873470790 QUZSXLWIMDWMQF-RUDJBYLXSA-N 444.535 5.841 30 10 IKEE CC(C)c1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1cnc2ccccc2n1 1873505307 JSRCTOBYHUBGEC-OPEKNORGSA-N 440.935 5.312 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)cc2)cc2c(NCCc3ccc(C)cc3)ncnc21 1873616687 BTHOFHMDUJUNQE-UHFFFAOYSA-N 445.954 5.486 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2OC)n1/N=C/c1c[nH]c2ccccc12 1874314161 FWOSJDFOXBVLFK-CVKSISIWSA-N 431.565 5.104 30 10 IKEE Cc1ccc(/C=N/n2c(COCc3ccccc3)nnc2SCc2ccccc2F)cc1 1874355659 VCECZKHUDCGIIU-JFLMPSFJSA-N 446.551 5.617 30 10 IKEE Fc1ccc(CSc2nnc(Cc3ccc(F)cc3)n2/N=C/c2cccc(F)c2)cc1 1874378061 CHCSFHSFDBXLJQ-MZJWZYIUSA-N 438.478 5.461 30 10 IKEE Fc1ccc(Cc2nnc(SCc3cccc4ccccc34)n2/N=C/c2ccco2)cc1 1874381163 FKUMQLGHZQHXOK-JVWAILMASA-N 442.519 5.929 30 10 IKEE Cc1ccc(CSc2nnc([C@@H](C)c3ccccc3)n2/N=C/c2ccc(Cl)cc2)cc1 1874392927 YNBSVFAHJFXTCU-FQNOVECQSA-N 447.007 6.566 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(CC2CCCCC2)n1/N=C/c1ccc[nH]1 1874411057 GIKPRAACOUQXFC-DHRITJCHSA-N 431.968 5.696 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCc3ccccc3Cl)nnc2-c2cccs2)c1 1874422994 PCSBAXVMWCTBCT-FSJBWODESA-N 440.981 5.849 30 10 IKEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1cc(Cl)ccc1O 1874477413 ZENGUPITDVWTKW-WSDLNYQXSA-N 445.932 5.062 30 10 IKEE CCCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874503563 OAMYAWMWPKJXIP-SSDVNMTOSA-N 433.896 5.106 30 10 IKEE Cc1ccccc1NC(=O)CSc1nnc(C(C)C)n1/N=C/c1ccc(C(C)(C)C)cc1 1874512292 QEASMLMCJDOGPE-CVKSISIWSA-N 449.624 5.620 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCC(=O)Nc3nccs3)ccc3ccccc23)cc1 1874574919 LKBUVWOZHFRVGF-VAWYXSNFSA-N 444.512 5.219 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2cc(C)cc(C)c2)cc1 1874575834 IZKTXZFONVXTKN-JLHYYAGUSA-N 445.515 5.234 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(C)cc1C 1874578676 ATZGEMTXXGSSMR-DHZHZOJOSA-N 427.972 5.880 30 10 IKEE Cc1ccccc1COc1ccc2ccccc2c1/C=C/C(=O)c1cc(C(C)(C)C)ccc1C 1874590347 GWMZAAWFGKXFFT-ISLYRVAYSA-N 448.606 8.229 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cccc(OCC(=O)N[C@H](C)c3ccccc3)c2)c(C)c1 1874600400 KLHQRFGMFGFOMC-DGXIYAMASA-N 427.544 5.764 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3F)c(OC)c2)cc1 1874615273 PBAHICLSDBEODG-RIYZIHGNSA-N 449.478 5.147 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(OC)ccc2OC)ccc1OCc1cccc(C)c1 1874620895 YZJSFTRTWXEFTF-FMIVXFBMSA-N 432.516 5.886 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cc(Cl)c(OCCCO)c(OC)c1 1874624471 FOHWIMIRQDRAGQ-VQHVLOKHSA-N 432.944 5.312 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)cc1Cl 1874636090 ITQJITCIQXOZKH-XYOKQWHBSA-N 435.907 5.571 30 10 IKEE CCCCCCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N(CC)CCCC 1874645217 VWXONECWFSTDQV-XMMPIXPASA-N 427.633 5.594 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1C 1874696463 XDKWUEKPARFOMT-JXMROGBWSA-N 447.443 5.036 30 10 IKEE COc1ccc(OCCCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C)cc3C)c2)cc1 1874702491 TWMBWJCDGAGIQD-MHWRWJLKSA-N 444.527 5.973 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1OC(=O)Cc1cccs1 1874712160 BDKWGEATMUZOJX-JXMROGBWSA-N 436.529 5.426 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cccc(OC(=O)c2cccc([N+](=O)[O-])c2)c1 1874713138 ICOULWPZHINCKD-ZHACJKMWSA-N 431.444 5.336 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(C)cc3)c2)c1 1874713324 QLXISOCLUUIGNA-FYWRMAATSA-N 444.527 5.837 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(F)c(F)c3F)c2)c(OC)c1 1874714513 ZOOMPUNEXMTZLD-IZZDOVSWSA-N 442.389 5.236 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3ccccc3Br)c2)c(C)c1 1874716282 LHVWFXHXJOSPQM-VAWYXSNFSA-N 449.344 6.490 30 10 IKEE C=CCN(CC=C)CCC(=O)c1cccc(NC(=O)COc2cc(Cl)ccc2Cl)c1 1874722341 ZJLVZTOONMURGE-UHFFFAOYSA-N 447.362 5.258 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3Cl)cc2[N+](=O)[O-])c1 1875113629 QEHZZBMSOTWNAB-PKNBQFBNSA-N 437.835 5.372 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)cc2)c1 1875137894 JWUFGOBEGFESMT-IHSQGBLNSA-N 442.555 6.696 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)ccc1F 1875140870 BTEATSAREFJZMF-NYYWCZLTSA-N 439.826 5.811 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1ccccc1OC 1875142454 DVBUNGBUMWWRTG-UKTHLTGXSA-N 434.463 5.657 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1 1875155845 CMQQMMNRPHXNMS-WOJGMQOQSA-N 428.528 6.253 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2F)c(Br)c1)c1ccc(F)cc1 1875158503 YYKQMNARQFUJEJ-VZUCSPMQSA-N 443.243 5.843 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c(C)c1C 1875167679 KUUAFXSOMOWQJQ-MDWZMJQESA-N 445.471 5.644 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OC(=O)C1CCCC1 1875170288 PSUOKKRIIACFRK-BUHFOSPRSA-N 446.587 6.649 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2ccc(OC(=O)c3ccccn3)cc2)cc1Cl 1875185455 DUMFOMKFUXNBRV-JXMROGBWSA-N 428.271 5.512 30 10 IKEE COc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3cc(C)c(OC)cc3C)cc2)cc1 1875186571 BRSCESPIHNLFHS-VGOFMYFVSA-N 446.499 5.201 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CCc1cnc(NC(=O)OC(C)(C)C)s1)NCCC 1922103962 PBXMVPMFQUNJID-OAQYLSRUSA-N 445.629 5.564 30 10 IKEE CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 1941062071 RKUJPZFXKWSCGI-JPYJTQIMSA-N 435.540 5.399 30 10 IKEE CCCCCCCC1CC(NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)O)C1 1952432272 WRNTVWIXMBOBOT-UHFFFAOYSA-N 435.564 6.119 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2cccs2)s1 2033813359 PKNWFKSDGSPVMS-GOSISDBHSA-N 429.950 5.550 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)CCCN(C)C(=O)OC(C)(C)C)c1 2049128307 VRUDURRCPFXYTI-DEOSSOPVSA-N 447.576 5.366 30 10 IKEE Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)C=Cc3ccccc3OC(F)F)cc2)cc1 2053621846 BASBCDVYIVEQBY-UHFFFAOYSA-N 443.471 5.293 30 10 IKEE COc1ccc([C@H](C(C)C)n2nc(C3CCC3)c(C#N)c2I)c(C)c1 2079882572 YJHIBBINPLRXGU-IBGZPJMESA-N 449.336 5.189 30 10 IKEE CC(=O)Oc1ccc([C@H](n2nc(C(C)C)c(C=NO)c2Br)C(C)(C)C)cc1 2080074709 MJXZFPTZAPKZIL-SFHVURJKSA-N 436.350 5.138 30 10 IKEE CC(C)Oc1ccc([C@@H](n2nc(C3(C)CC3)c(C#N)c2Br)C2(C)CC2)cc1 2080124836 BGDCKIOQQCIACS-LJQANCHMSA-N 428.374 5.745 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Cl)cc(Br)c1 2081555142 NCWGVVSBKCTJFX-DLBZAZTESA-N 431.802 5.613 30 10 IKEE CCCCCCCCC[C@@H](N)c1ccc(Br)cc1I 2142284014 XIHXTUPZPXYIQX-MRXNPFEDSA-N 438.191 6.194 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@@H](C#N)c1c(F)cc(Br)cc1F 2170702452 CKVDTXVHEXMBFX-INIZCTEOSA-N 441.247 5.873 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1c(F)cc(Br)cc1F 2170704177 MPWPOMJBVPQEKF-QGZVFWFLSA-N 437.284 6.042 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)C(C)(C)CN(C)C(=O)OC(C)(C)C 2235730226 VCLIFTNYSLNZMO-LJQANCHMSA-N 437.422 5.062 30 10 IKEE C=C1CCC(CC(=O)[C@@H](Cc2cccc(Br)c2)NC(=O)OC(C)(C)C)CC1 2237401064 SGZNJXQXMBOONJ-LJQANCHMSA-N 436.390 5.591 30 10 IKEE C=CC[C@]1(COc2cc(NC(=O)OC(C)(C)C)ccc2N)CCCN1C(=O)OC(C)(C)C 2259482182 BLFGOMZHYMIHJO-XMMPIXPASA-N 447.576 5.340 30 10 IKEE C=C(COCc1ccccc1)[C@](C)(OCC(=O)O)c1cccc(NC(=O)OC(C)(C)C)c1 2261973522 JCMUCYIVMHBLSA-VWLOTQADSA-N 441.524 5.123 30 10 IKEE C=CCC1(Oc2nc3ccc(Br)cc3s2)CN(C(=O)OC(C)(C)C)C1 2264283987 AUJYGMMVEFOCAI-UHFFFAOYSA-N 425.348 5.003 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Br)cc(C(C)C)c1 2266003474 RBHDMPYIBVFNNT-OALUTQOASA-N 425.411 5.693 30 10 IKEE CC(C)(C)OC(=O)NC1(c2cccc(Nc3c(Br)cccc3C#N)c2)CC1 2285235367 UPABEPFEMMMZQK-UHFFFAOYSA-N 428.330 5.578 30 10 IKEE C=CCC[C@@H](C)[C@@H](OCCC(=O)O)c1scc(Br)c1Br 2291032857 KWHRJTKVSJEDIC-NOZJJQNGSA-N 426.170 5.408 30 10 IKEE CC[C@H](CCNC(=O)OC(C)(C)C)CC[C@H](C#Cc1cccc(Br)c1)NC 2296217496 VGGUFRXOFMJODU-FXAWDEMLSA-N 437.422 5.110 30 10 IKEE CCCN1C(=O)C(=Cc2cc(Cl)c(O)c(OC)c2)SC1=Nc1ccc(OCC)cc1 2297462051 XCYWWJXXNPXLAA-UHFFFAOYSA-N 446.956 5.467 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc3c2[C@H](c2ccccc2Cl)CC(=O)O3)C1=O 2297591579 BRBHDKFDQXTHIG-KRWDZBQOSA-N 432.859 5.406 30 10 IKEE C=CC[C@H](C)[C@@H](NCC)c1sc(Br)c(Br)c1Br 2304046782 VJKPYGAFDTXTKJ-OIBJUYFYSA-N 446.046 5.898 30 10 IKEE COC(=O)c1ccc(C=CC(=O)c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 2314429838 PXSQJPPKYVCRED-UHFFFAOYSA-N 442.511 5.886 30 10 IKEE COc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2F)cc1 2318574678 QEAIPVHTGZNTIX-UHFFFAOYSA-N 432.524 5.191 30 10 IKEE CCOc1c(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CC2)cccc1OC 2320892107 UTKZGBYCXDUNEU-UHFFFAOYSA-N 442.972 5.391 30 10 IKEE CC(C)[C@H]1C[C@](C#N)(Nc2ccc(Br)cc2)CN1C(=O)OCc1ccccc1 2321365046 LUSVKFONQPTDDR-IFMALSPDSA-N 442.357 5.190 30 10 IKEE O=C1C(=Cc2ccc(-c3ccccc3)cc2)Oc2c1ccc1c2CN(Cc2ccccc2)CO1 2321978884 XKMBRWRHZFQGKB-UHFFFAOYSA-N 445.518 6.322 30 10 IKEE Cc1ccc(COc2cccc(C=Nn3c(S)nnc3Cc3ccc(Cl)cc3)c2)cc1 2322035031 KVDTVCAQEOOQEM-UHFFFAOYSA-N 448.979 5.581 30 10 IKEE O=C1C(=Cc2ccc3c(c2)OCO3)Oc2c1ccc1c2CN(Cc2cccc(Cl)c2)CO1 2322214285 PDMNRBAFHGDOEJ-UHFFFAOYSA-N 447.874 5.037 30 10 IKEE COc1cccc(C=CC(=O)c2cc(Cl)ccc2Cl)c1OCCc1ccccc1 2323005208 RAXBWYROYOPPAJ-UHFFFAOYSA-N 427.327 6.520 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cc(Cl)ccc1OCc1ccccc1C 2323022769 JCJFLLYLJKHNQI-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE COc1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(C)c2)C3=O)cc1 2323423746 DXOFQBNZFWCHHL-UHFFFAOYSA-N 426.468 5.547 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Cl)c1OCc1cccc(F)c1 2323725848 XGRMNSLGQQGGRP-UHFFFAOYSA-N 446.852 6.631 30 10 IKEE COc1cc(C=NNc2nc(-c3ccc(C)cc3C)cs2)ccc1OCc1ccccc1 2323844463 QFTREEZSNOURBD-UHFFFAOYSA-N 443.572 6.461 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 2323922509 NOYJCTFJAQSBIG-UHFFFAOYSA-N 441.354 7.257 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)c1 2323943833 ZMXKPJJUBRHIDR-UHFFFAOYSA-N 437.898 6.010 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OCC(=O)Nc1ccccc1F 2324261577 KJHJMKMRDONGLF-UHFFFAOYSA-N 441.405 5.026 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)OC(C)C)cc2c1C(=O)C(=Cc1cccc(Br)c1)O2 2324305239 LPGDOUCUKRLESI-AWEZNQCLSA-N 445.309 5.093 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OCc3ccccc3F)c([N+](=O)[O-])c2)cc1C 2324637537 JFOPKMHHSKYKRG-UHFFFAOYSA-N 435.451 5.834 30 10 IKEE CCOC(COc1ccc2c(c1C)OC(=Cc1cn(CC)c3ccccc13)C2=O)OCC 2324741671 MRNCHMNUHQABSS-UHFFFAOYSA-N 435.520 5.364 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccccc3Cl)n2)cc1Cl 2324807422 ZUQZNWWQCGGVOM-OAHLLOKOSA-N 429.328 6.015 30 10 IKEE COc1cccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C)cc4Cl)ccc3C2=O)c1 2325292249 HCDLKPNHHOGQKC-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE COc1ccc(C=C2Oc3cc(OCc4ccccc4C#N)cc(C)c3C2=O)cc1OC 2325352696 BCNGOHYIWAZEGA-UHFFFAOYSA-N 427.456 5.079 30 10 IKEE COc1cc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccc(C)cc2)ccc1O 2325470908 KLBGAAOHKYXXGB-UHFFFAOYSA-N 444.560 5.066 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccc(C)o2)C3=O)cc1 2325622953 JBCMBAQWURFRTI-INIZCTEOSA-N 445.515 6.044 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(C)c(C)c3)c2)cc1OC 2325702859 AFFPAYJLFGZNJA-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccccc3)c2)cc1OCCC 2325726887 BWWQPDFIZKUWID-UHFFFAOYSA-N 444.527 6.380 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 2325737763 TVQNNFHHYKXCGX-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(F)cc3F)c2)cc1 2325746320 RYWALCGJTSTSMX-UHFFFAOYSA-N 434.482 6.307 30 10 IKEE CCOc1cccc(C=Nn2c(CCCOc3ccccc3Cl)nnc2SCC)c1 2326063599 FIJVJPUVNORLII-UHFFFAOYSA-N 444.988 5.336 30 10 IKEE Cc1nnc(SCc2ccccc2F)n1N=Cc1ccccc1OCc1ccccc1 2326265656 GUHSIZKNOZHLGV-UHFFFAOYSA-N 432.524 5.479 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1c(C)n(C)c2ccccc12 2326415945 KUOVCRPUIISNKI-UHFFFAOYSA-N 431.609 5.822 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1ccc(Cl)cc1Cl 2326415961 NSOJKEDERPMQOE-UHFFFAOYSA-N 433.408 6.329 30 10 IKEE CCCCc1nnc(SCc2cccc(C(=O)OC)c2)n1N=Cc1ccc(Cl)cc1 2326766661 ZJZSBCDRRCPIKP-UHFFFAOYSA-N 442.972 5.235 30 10 IKEE Cc1ccc(CSc2nnc(CC34CC5CC(CC(C5)C3)C4)n2N=Cc2ccc[nH]2)cc1 2326878854 ZRUCHMUBBGXUTC-UHFFFAOYSA-N 445.636 5.848 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc(N(C)C)cc1 2327956842 BVCFPZRYNKIKTO-UHFFFAOYSA-N 440.016 5.333 30 10 IKEE Cn1cccc1C=Nn1c(SCc2c(Cl)cccc2Cl)nnc1-c1cccs1 2330592347 YVBSWEVZQNJAAG-UHFFFAOYSA-N 448.404 5.826 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)CC(C)(C)C)c(OC)c2)cc1 2330824316 GAXAMZUXYSPTTJ-UHFFFAOYSA-N 442.983 6.929 30 10 IKEE Cc1ccc(CSc2nnc([C@@H]3CCCO3)n2N=Cc2ccccc2OC(C)C)cc1 2330889730 YBUJJNLAWAVNEN-QFIPXVFZSA-N 436.581 5.400 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1)c1ccccc1Cl 2330911136 GNNAMPXKIDINCR-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccco3)c(Br)c2)cc1 2330965828 UAKBNKRAVMGKGN-UHFFFAOYSA-N 427.250 5.166 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)c1cccc(C)c1 2331086538 HBXMNIXGAISIAZ-UHFFFAOYSA-N 438.426 5.406 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OC(=O)CC1CCCCC1 2331100850 PYILUWADMQHZHX-UHFFFAOYSA-N 428.475 6.135 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OC(=O)CCc1ccccc1 2331132455 CVEUQFXJKSSDII-UHFFFAOYSA-N 434.919 6.173 30 10 IKEE CCc1ccccc1OCC(=O)Oc1c(OC)cc(C=CC(=O)c2ccccc2)cc1OC 2331165108 WWYMYOJCIQSTMN-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3cccc(C)c3C)c([N+](=O)[O-])c2)cc1 2331273457 GEEDGAOCWVSTKS-UHFFFAOYSA-N 445.471 5.401 30 10 IKEE COCCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1cccc(F)c1 2331294226 FQMRGQGFJZMJQP-UHFFFAOYSA-N 439.343 5.087 30 10 IKEE COc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C(C)(C)C)cc1O 2331418338 SJKQPWNHMNKUSW-UHFFFAOYSA-N 448.951 5.257 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1 2331498119 KOEGADIPAZGGPG-UHFFFAOYSA-N 449.890 6.487 30 10 IKEE CC(C)c1ccccc1OCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(F)cc2)cc1 2331517681 REGLYBFVBYNMNC-UHFFFAOYSA-N 446.518 6.610 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc([N+](=O)[O-])c1OC(=O)C(C)C 2331651939 HMILNZRBMXPLBA-UHFFFAOYSA-N 439.508 5.685 30 10 IKEE Cc1ccccc1NC(=O)CSc1nnc(C(C)C)n1N=Cc1ccc(C(C)C)cc1 2331687456 MQORVVQIPZVXTB-UHFFFAOYSA-N 435.597 5.446 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCc3ccccc3F)nnc2C(C)C)cc1 2331699406 LOYVQEWQJDENTN-UHFFFAOYSA-N 425.577 5.561 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)ccc1OC(=O)C1CC1 2331814612 ZCFQFXBLWYQWEC-UHFFFAOYSA-N 435.303 5.612 30 10 IKEE CC(C)(C)c1ccc(C=CC(=O)Nc2c(C#N)nnn2-c2ccc(C(C)(C)C)cc2)cc1 2332189035 XPAGGPSPTXEJDG-UHFFFAOYSA-N 427.552 5.386 30 10 IKEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339575405 WGELNUFYEATCRC-JXOMPUQVSA-N 445.413 5.078 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1cc(Br)cc(OC2CC2)c1 2362708161 KKGNLVUCRPYHHX-OALUTQOASA-N 439.394 5.110 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1cnc2c(c1)CCC2 2368002708 XHPQSDUERPYWRN-IBGZPJMESA-N 428.330 5.339 30 10 IKEE Cc1cccc([C@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccccc4Cl)nn32)c1 17101006 ZYCGSSGHSVMZGY-NRFANRHFSA-N 436.968 5.554 30 10 IKEE C=CCn1c(CNc2ccccc2)nnc1SCCC(=O)Nc1ccc([C@H](C)CC)cc1 20831097 HSLAZEPIZQWKGD-LJQANCHMSA-N 449.624 5.711 30 10 IKEE COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccccc2C)cc1OC 28052535 VHXXFYJDKOXMIE-BXKMTCNYSA-N 430.504 5.267 30 10 IKEE COc1ccc(C(=O)COc2ccc3c(c2)O/C(=C/C=C\c2ccccc2OC)C3=O)cc1 33888816 KOFWIWVSKFDSOD-SMHVBLDXSA-N 442.467 5.138 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(Cl)cc2)cc1 34933663 ISUIONVKHTXZOO-OAQYLSRUSA-N 437.879 5.110 30 10 IKEE O=C(/C=C/c1ccccc1Cl)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 34955083 UUQRNDWYPRAZFS-NTEUORMPSA-N 441.708 6.218 30 10 IKEE C=CCOc1ccc([C@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCC)cc1OCC 38593927 ZFPWSUYAPQLVMS-DEOSSOPVSA-N 447.531 5.329 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 40085858 WISVTONMGRGAJK-DEOSSOPVSA-N 449.591 6.070 30 10 IKEE C=Cc1ccc(COc2cc(C)c3c(c2)O/C(=C\c2cc(OC)ccc2OC)C3=O)cc1 41504584 QMVULKBKAHFTDJ-QFEZKATASA-N 428.484 5.850 30 10 IKEE COc1ccccc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2nc(SCc3ccccc3)nn21 97964552 SLKIPFXXLBNJEZ-QFIPXVFZSA-N 446.576 5.237 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1 100154664 VIQJAYMRCBZMRP-QFIPXVFZSA-N 434.621 6.960 30 10 IKEE CC(C)COc1ccc(Br)cc1C(=O)N(CCC#N)CCc1ccccc1 100438114 MLTPAWRYZMRPGV-UHFFFAOYSA-N 429.358 5.082 30 10 IKEE CCCCCCCCCCn1c([C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)nc2ccccc21 102103830 OHGZOMALSLDCHS-ZCYQVOJMSA-N 445.651 7.254 30 10 IKEE CCCCCCCCCCCCn1c(CNC(=O)c2ccc(F)cc2)nc2ccccc21 102220336 INNNNMSXGKOTNS-UHFFFAOYSA-N 437.603 7.026 30 10 IKEE CCCCCCCCCn1c([C@H](C)NC(=O)c2cccc(Cl)c2)nc2ccccc21 102225180 QFFYUOXWPNUHEO-IBGZPJMESA-N 426.004 6.931 30 10 IKEE Cc1ccc(N/C=C2\C(=O)c3ccccc3N(Cc3ccc(Cl)cc3)S2(=O)=O)cc1 105286174 HUIRGLOPJCPRTO-HYARGMPZSA-N 438.936 5.135 30 10 IKEE C=C1C[C@H](OC(=O)c2ccccc2)[C@@H]2[C@](C)(CO)CCC[C@]2(C)[C@@H]1CC/C(C)=C/CO 140984633 WGSYIFPPMZUQAN-COYRXAQJSA-N 426.597 5.312 30 10 IKEE biogenic CCN1C(=S)N[C@H](c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C(C(C)=O)=C1C 169933359 XGXRZTPAWDSSEM-JOCHJYFZSA-N 444.984 5.042 30 10 IKEE O=C1CCCC2=C1[C@@H](c1ccccc1OCc1ccc(Cl)cc1Cl)NC(=S)N2 169938963 HFVCXJYQNLNCMU-HXUWFJFHSA-N 433.360 5.098 30 10 IKEE COc1cc(/C=C2\CN(Cc3ccccc3)CCC2=O)cc(OC)c1OCc1ccccc1 169940827 IMBOROBHFQEEES-BUVRLJJBSA-N 443.543 5.141 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccccc2OC)cc1 169941088 MSHLMGLYGTWHDV-VWLOTQADSA-N 441.527 5.657 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccc(O)cc2)c1 169960519 RQAXIWXQSMZMQC-XMMPIXPASA-N 427.500 5.409 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2cccs2)cc1 169982802 ZULZGVUHSFYNSK-QHCPKHFHSA-N 442.540 6.136 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2ccccn2)cc1 169993941 BDNLMZWMIHUINM-QFIPXVFZSA-N 432.907 5.389 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(Cl)cc2)cc1C 170057410 FRWKZWIOPLRUCT-QFIPXVFZSA-N 435.882 5.879 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(F)cc2)cc1C 170065253 GILFXORYCUGNBP-QHCPKHFHSA-N 433.454 5.360 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@@H]2c2ccccc2C)c1 170086506 ULLDEZSVPXSBCV-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@H]1c1cccc(OC)c1 170120570 SJRJRGTYWTXTOO-HSZRJFAPSA-N 437.536 5.206 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccc(C)c2)cc1 170142858 AVNKCOSEOQCPLV-DEOSSOPVSA-N 427.500 5.485 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@H]1c1ccc(C(C)(C)C)cc1 170149921 OZGYATZAPIQNSO-HSZRJFAPSA-N 433.548 5.297 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccs2)c1 170163750 YLLVOUMNUBFLAY-QFIPXVFZSA-N 439.577 5.694 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccccc2)cc1 170224408 ZWCRTZVBXUNKSR-XMMPIXPASA-N 427.500 5.349 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccccc1 170227023 YGDYHJFPSLMRPG-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccccc2)c1 170234181 YNGOLVTXZAXGAZ-XMMPIXPASA-N 445.490 5.393 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(F)cc2)ccc1Cl 170239427 KGOXNHGFTANSIR-NRFANRHFSA-N 437.854 5.271 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(F)cc1 170239795 OFLMFENEECQMMH-QHCPKHFHSA-N 445.490 5.542 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(F)cc1 170239905 ZMDCXTZGDBFTCT-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1ccccc1C 170271542 MJSHECQDJRXZKY-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccco1)c1ccc(Cl)c(Cl)c1 170279756 DXIPDSISAHPPJR-QGZVFWFLSA-N 434.300 5.426 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccco2)c1 170290370 GAORNNCHABYVNR-OAQYLSRUSA-N 439.414 5.128 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2c2ccccc2)o1 170302826 FESRJWHJWSLIKU-IBGZPJMESA-N 428.271 5.678 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(C(C)C)cc2)cc1 170360179 SMBHRWIFRIYMMU-HSZRJFAPSA-N 447.556 6.053 30 10 IKEE Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(CC3CCCCC3)C2=O)c(C)c1 252600960 DWKRQECERAXCQG-QHCPKHFHSA-N 449.620 5.844 30 10 IKEE Cc1[nH]c2ccccc2c1C=Nn1c(-c2ccco2)csc1=Nc1cccc(Cl)c1C 254818604 IQWMWHUWACXJKI-UHFFFAOYSA-N 446.963 6.676 30 10 IKEE CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N/[C@H](C)c1ccccc1 254826784 MADKRYSQLQJOKH-QSNUEOGFSA-N 425.579 5.119 30 10 IKEE Cc1cccc(N2C(=O)/C(=C3/Sc4ccccc4N3C)SC2=Nc2ccc(F)cc2)c1 254846800 XGHFKLYZRCEBSE-APPJTMTASA-N 447.560 6.313 30 10 IKEE CCCCCCC[C@@H](NCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 406971036 TVXXKMOXTKINCE-GOSISDBHSA-N 427.427 6.807 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccc(F)c2)cc1OC 526486462 LFRAIFHUBCTMEA-DEOSSOPVSA-N 444.462 5.162 30 10 IKEE COc1ccc([C@@H]2C(c3cccc4ccccc34)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526522098 PAEYTAYEHISQPN-AREMUKBSSA-N 432.479 5.777 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccc(O)c2)c1 526604180 KDLAHTBXHIDSFW-XMMPIXPASA-N 426.472 5.110 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2O)c1 526759993 SIGOSEZRHDUBFC-QHCPKHFHSA-N 447.462 5.103 30 10 IKEE COc1ccccc1/C=N\n1c(Cc2ccccc2)nnc1SCc1ccc(C)cc1 526805083 GAQFSQPVSXGJBZ-ONUIUJJFSA-N 428.561 5.360 30 10 IKEE CCOc1ccc2ccccc2c1/C=N\n1c(CC)nnc1SCc1cc(C)cc(C)c1 526810150 ZRUNRKNDAPEDJR-YUMHPJSZSA-N 444.604 6.184 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccc(C(=O)O)cc1 526822243 VLBVLRNAFFWFCO-QQXSKIMKSA-N 444.560 5.647 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)NC2CCN(C(=O)Nc3ccc(CC)cc3)CC2)c1 585858803 GKDYRAINNJAHDC-UHFFFAOYSA-N 448.611 5.513 30 10 IKEE COc1ccc(Cl)cc1S(=O)(=O)N(Cc1cccc(C#N)c1)c1ccc(Cl)cc1 586257902 FQQOGCSSROGGEP-UHFFFAOYSA-N 447.343 5.269 30 10 IKEE CC(C)COc1ccc(NC(=O)c2cccc(NC(=O)Nc3ccccc3C#N)c2)cc1 586731684 LFGCNESUPFRTMR-UHFFFAOYSA-N 428.492 5.489 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2cc(Br)c(Cl)s2)c1 698418723 MRPVWIGZJZVEAO-AWEZNQCLSA-N 441.778 6.479 30 10 IKEE Cc1sc([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)cc1Br 710724298 HMKBAZFZYMBFCL-INIZCTEOSA-N 427.408 6.344 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1ccc(F)c(Cl)c1 710752677 NEBJGUIWBMBTBK-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE CC[C@](C#N)(CC1CCCCC1)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 720368517 QVDQZNPIHUXNQO-JOCHJYFZSA-N 435.406 6.833 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 724082489 VZYMYFCDHAVLBM-CPJSRVTESA-N 443.588 5.401 30 10 IKEE O=C(Nc1ccc(F)cc1)[C@H]1CC(=O)N(Cc2cccs2)C(=Nc2ccccc2)S1 1083964238 MWRKCDNGVHFKEV-LJQANCHMSA-N 439.537 5.048 30 10 IKEE COc1cc(C=NNc2cc(Cl)ccc2Cl)ccc1OCc1ccc(C(=O)O)cc1 1084004895 CLDVOUDKAVBWKV-UHFFFAOYSA-N 445.302 5.725 30 10 IKEE Cc1cc(C)c(NS(=O)(=O)c2ccc(N=Cc3cccc4ccccc34)cc2)c(C)c1 1084398708 WWQDDGCUARYSJO-UHFFFAOYSA-N 428.557 6.316 30 10 IKEE O=[N+]([O-])c1ccc(NN=C(CSc2nc3ccccc3o2)c2ccc([N+](=O)[O-])cc2)cc1 1084443109 IKPZLYNRUOMTFR-UHFFFAOYSA-N 449.448 5.253 30 10 IKEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)O[C@H](c1ccc2ccccc2c1)C(F)(F)F 1586747228 CEXNZHYKGFEGKJ-OAQYLSRUSA-N 428.410 5.208 30 10 IKEE O=C1/C(=C\c2ccccc2O)S/C(=N/N=C/c2ccc(Cl)cc2)N1Cc1ccco1 1615301482 VRFLYLWZSNUSMA-SGOVDTOHSA-N 437.908 5.145 30 10 IKEE O=C1C(C(=O)c2ccccc2)=C2CCCC[C-]2/C1=C(/C(=O)c1ccccc1)c1ccccc1 1615946002 AJPVJVZTVDLPBN-QPLCGJKRSA-N 431.511 6.234 30 10 IKEE C=CCN1C(=O)[C@@H](CC(=O)c2ccc(Cl)c(C)c2)SC1=Nc1cccc2ccccc12 1772759841 AMVRFIJTMOCWSY-HSZRJFAPSA-N 448.975 6.192 30 10 IKEE Cc1ccc(NC(=S)N/N=C\c2cn(-c3ccc(C)c(C)c3)nc2-c2cccs2)cc1 1857809678 YZGNJWPRCTYFQD-QFEZKATASA-N 445.617 5.847 30 10 IKEE Cc1ccc(-n2cc(/C=N\NC(=S)Nc3ccccc3)c(-c3ccc(C)cc3C)n2)cc1 1857811952 LPWGXWZNBHZSON-YUMHPJSZSA-N 439.588 5.785 30 10 IKEE CCCCCCCCNC(=O)[C@@H](NC(=O)c1c(Cl)ccc(Cl)c1OC)[C@@H](C)CC 1861146017 AMFLQERXTIRLKM-KXBFYZLASA-N 445.431 5.623 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCC)NC(=O)c1ccc2nc(C(C)(C)C)[nH]c2c1 1861448084 ZQIBAUKVOKNYOI-FQEVSTJZSA-N 428.621 5.236 30 10 IKEE CCCCCCCCCCNC(=O)c1cc(CCC)n(Cc2c(F)cccc2Cl)n1 1862315585 ZXRTXAQHZISCNG-UHFFFAOYSA-N 436.015 6.547 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccccc2C(=O)O)cc1 1862393986 AVAKXGOKHDOUHL-HSZRJFAPSA-N 449.547 5.352 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(F)cc1 1862430509 LYCPVGXIBWVZNF-NYHFZMIOSA-N 435.882 5.819 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@@H]1c1ccc(O)cc1)c1cccc(Cl)c1 1862443844 UNJFHOFOENPROW-JOCHJYFZSA-N 439.939 5.737 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1862445169 PZBAAMYDWBGZNG-RCDICMHDSA-N 449.890 5.091 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2cccc(F)c2)ccc1F 1862501672 IFJHMQAVDVAGNX-HSZRJFAPSA-N 433.454 5.094 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccccc2C)ccc1F 1862507964 VWBIHRFZQJWTGT-HOYKHHGWSA-N 429.491 5.782 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862564083 RVAGTGRPVAECCM-XMMPIXPASA-N 448.563 5.359 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(Cl)cc1 1862616387 CHBODOWHMZQGIP-OAQYLSRUSA-N 441.955 5.252 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862619068 MVBZMLFAYWPYFJ-SBUREZEXSA-N 435.564 5.760 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(F)cc1F 1862660637 LLDBWNKDTSIOMB-QHCPKHFHSA-N 441.518 6.247 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862672983 JFLVHHIVPKWQDO-MWTRTKDXSA-N 431.463 5.174 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CC)cc1OC 1862685165 PMXBVOCYEHULOG-QFIPXVFZSA-N 441.499 5.002 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2c(Cl)cccc2Cl)c1 1862705640 CVGHPKWNHSNURJ-FQEVSTJZSA-N 446.330 5.523 30 10 IKEE Cc1c(Cl)cccc1NC1=C(c2ccccc2Cl)C(=O)N(c2ccc(C#N)cc2)C1=O 1863077556 SZRNNEXBCLULAB-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2Oc2ccccc2)=C(c2ccccc2Cl)C1=O 1863446941 LPGIMLJJDBNKOK-UHFFFAOYSA-N 430.891 5.510 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(Cl)c2)=C(c2c[nH]c3ccccc23)C1=O 1863490132 KJRMKODDXKIBEY-UHFFFAOYSA-N 449.982 6.374 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2OC)C(=O)N(Cc2cccc(C)c2)C1=O 1863765580 GEWOXISIZGHDDL-UHFFFAOYSA-N 434.580 5.234 30 10 IKEE Cc1ccc([C@@H](C#N)NC(=O)c2ccc(N3COc4ccc5ccccc5c4C3)cc2)cc1 1868015448 CAQARTYBGOZFIA-AREMUKBSSA-N 433.511 5.499 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](c1ccc(C(C)C)cc1)C(C)C 1868854491 ZEYCNWQDICKNGB-KAYWLYCHSA-N 446.635 5.478 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC[C@@H](Oc3ccccc3)C2)nc(Cc2ccccc2)n1 1869082180 CAONESNGZBXOCT-RUZDIDTESA-N 440.591 5.294 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N2C[C@@H](C)C[C@H](C)C2)nn1-c1cccc(Cl)c1 1870017914 NXUQXBSTKFTXGW-OALUTQOASA-N 446.039 6.092 30 10 IKEE CC(C)(C)SCc1cc(=O)c(OCc2ccc(C#N)cc2)cn1Cc1ccc(O)cc1 1870232917 OYZQOOVFMWPFDU-UHFFFAOYSA-N 434.561 5.085 30 10 IKEE CCCCCCCCn1cc(OCCO)c(=O)cc1CSc1nc2ccccc2s1 1870239426 MTZCWVLBLOUFKX-UHFFFAOYSA-N 446.638 5.482 30 10 IKEE C=CCOc1cn(CCOc2ccc(OC)cc2)c(CSc2ccc(C)cc2)cc1=O 1870244733 FXIBNYVIVFRCFQ-UHFFFAOYSA-N 437.561 5.101 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OC(C)C)c(=O)cc1CN1C[C@@H](C)C[C@@H](C)C1 1870477854 CYGKVFSULLEFCQ-SZPZYZBQSA-N 448.648 5.017 30 10 IKEE CCCCCCCOc1cn(CCOC)c(CNc2ccc(C(F)(F)F)cc2)cc1=O 1870832080 PHDUBPPNLVUNML-UHFFFAOYSA-N 440.506 5.475 30 10 IKEE CCCCCCCOc1cn(CCCCCC)c(CNc2ccc3nc[nH]c3c2)cc1=O 1870839674 WRYPCHYMBZUEEI-UHFFFAOYSA-N 438.616 6.266 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccccc1Cl)C3=O)CN(C1CCCCCCC1)CO2 1871355436 LCAMQUKDSYYFGC-UCQKPKSFSA-N 437.967 6.529 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1cccs1)C3=O)CN(CCCCc1ccccc1)CO2 1871359568 QQDUIPWFBDGTIG-HAHDFKILSA-N 431.557 5.848 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)c1 1871387170 IEHDOCFXBRUQFM-XKZIYDEJSA-N 445.427 5.137 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(ccc(OCCOc4ccccc4)c3C)C2=O)cc1 1871397003 DNUQSIQAGQFFPF-XHPQRKPJSA-N 443.543 5.915 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(O[C@H](C)C(=O)Nc4ccccc4Cl)c3C)C2=O)cc1 1871404481 LRQJPEDWRCVURE-NQRZERFFSA-N 447.918 5.979 30 10 IKEE COc1ccc(OCCCOc2ccc3c(c2)O/C(=C\c2ccccc2OC)C3=O)cc1 1871415702 PBSUJROYEKWBBP-XYGWBWBKSA-N 432.472 5.168 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCc4cccc(C(=O)OC)c4)cc(C)c3C2=O)cc1 1871417162 FOHRMKUOYCLGDE-OYKKKHCWSA-N 428.484 5.539 30 10 IKEE CC(=O)Nc1ccc(C(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871432753 PIHPCOCAAZTKBJ-MXAYSNPKSA-N 441.483 5.140 30 10 IKEE C=CCN([C@@H](CCC)C(=O)Nc1ccccc1CC)S(=O)(=O)c1c(C)cc(C)cc1C 1872470227 CVLXXJQLIFWHMY-QHCPKHFHSA-N 442.625 5.158 30 10 IKEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1 1872490770 XDIZXEOLYJPUOE-JOCHJYFZSA-N 449.016 5.187 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 1872504250 JXZQBORRUGXKOM-DEOSSOPVSA-N 442.625 5.232 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(OC)cc3OC)n2)cc1 1872762839 XRFONCLEZQKAFO-XSEIIIHRSA-N 446.572 6.060 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1 1872768298 OYPIXKHRTJXDFT-INIZCTEOSA-N 427.869 5.260 30 10 IKEE COc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1OC 1872769651 XMCDVDDILPQUJR-CQSZACIVSA-N 447.343 5.553 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(Cl)cc3)n2)c2ccccc12 1872788053 WAHUVMSWGCPILT-HXUWFJFHSA-N 432.932 6.044 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC2CCCCC2)=C(c2cc(F)cc(F)c2)C1=O 1873109397 MNZUYVJRMZBAPX-UHFFFAOYSA-N 446.582 6.108 30 10 IKEE C=C(C)Cn1c(-c2cc(Br)c(OCCCCC)c(OC)c2)nc2ccccc21 1873522464 XJNRIBYHTHJQCT-UHFFFAOYSA-N 443.385 6.620 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(F)c2)cc2c(NCCCCc3ccccc3)ncnc21 1873619582 PLSSNASADKPNFM-UHFFFAOYSA-N 443.526 5.444 30 10 IKEE CSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1/N=C/c1cccc(F)c1 1874195440 NWNKOZFXDBDMFR-PCLIKHOPSA-N 426.561 5.330 30 10 IKEE C=C(C)CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccc(C(C)C)cc1 1874243381 CRKWTYHFXMPTGI-LQKURTRISA-N 448.680 6.711 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2F)n1/N=C/c1ccccc1F 1874362568 LGDHLSPWOYTLMH-LQKURTRISA-N 448.542 5.824 30 10 IKEE Fc1ccc(/C=N/n2c(CCc3cccs3)nnc2SCc2cccc(F)c2)cc1 1874370135 JXVIXJSODPXFNP-AFUMVMLFSA-N 440.544 5.578 30 10 IKEE Cc1ccccc1/C=N/n1c(CC2CCCCC2)nnc1SCc1ccc(Cl)cc1 1874408535 BMZPNGCWQBCUGP-WGOQTCKBSA-N 439.028 6.537 30 10 IKEE Cc1ccsc1/C=N/n1c(CC2CCCCC2)nnc1SCc1ccc(Cl)cc1 1874408785 PYDULIYWZNXEBV-ZVHZXABRSA-N 445.057 6.599 30 10 IKEE Oc1ccccc1/C=N/n1c(Cc2ccccc2)nnc1SCc1ccccc1Cl 1874418263 HKAANPCBGDFDCO-MFKUBSTISA-N 434.952 5.402 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCc3cc(C)ccc3C)nnc2-c2ccccc2)c1 1874428296 CAFHYNFENDQJGT-CVKSISIWSA-N 428.561 5.750 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2ccc(C)cc2)nnc1[C@@H]1CCCO1 1874444285 VRBCYDFAOGRMQV-LWROZRRASA-N 436.581 5.401 30 10 IKEE CCSc1nnc(C2CCCC2)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1874455590 ZXFRNXNEMUTDOD-MFKUBSTISA-N 441.000 6.162 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(N(CC)CC)cc1 1874510021 BWPVNHPBXWGQKX-PCLIKHOPSA-N 442.032 5.905 30 10 IKEE CCCCOc1ccc(/C=N/n2c(C)nnc2SCc2ccccc2C)cc1OCC 1874528665 VKMRPJTWRFYWDC-PCLIKHOPSA-N 438.597 5.647 30 10 IKEE FC(F)(F)c1nnc(S)n1/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 1874559675 GTJSHQDMEPFQTC-LIMNOBDPSA-N 447.269 5.354 30 10 IKEE CCc1ccc(OCCCc2nnc(S)n2/N=C/c2ccc(Cl)cc2Cl)cc1 1874568137 JDKGECGBLDRDIB-YDZHTSKRSA-N 435.380 5.330 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2)cc1 1874577936 NANCLOAKLBKLRU-UKTHLTGXSA-N 449.934 5.961 30 10 IKEE COC(=O)c1ccc(COc2c(/C=C/C(=O)c3ccc(C(C)C)cc3)cccc2OC)o1 1874583904 MBHYKBZRJQBJIG-WYMLVPIESA-N 434.488 5.673 30 10 IKEE Cc1ccc(C)c(COc2ccc(Cl)cc2/C=C/C(=O)c2cc(Cl)ccc2Cl)c1 1874591634 VBNGJRCXOBHYTN-WEVVVXLNSA-N 445.773 7.739 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)cc1 1874595369 HXJRVCNSKJAICZ-MKMNVTDBSA-N 433.460 5.477 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OCC(=O)Nc1cc(C)cc(C)c1 1874596005 FCNSHBPTSVCSKW-YRNVUSSQSA-N 429.516 5.534 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC)c(OCCc3ccccc3)c2)c1 1874599598 VGRJAIVZWMCPEV-SDNWHVSQSA-N 446.543 6.010 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OCc2c(F)cccc2Cl)c(Cl)c1 1874619854 WKBKVJHKKXCZCQ-VQHVLOKHSA-N 445.317 6.925 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OCC(=O)Nc2ccc(C)c(C)c2)cc1 1874629392 AFEMICCWLHKTLV-UKTHLTGXSA-N 443.543 5.842 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccc(F)cc1 1874632984 GDLQUGNMSXKHPE-AWNIVKPZSA-N 447.506 5.755 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874633400 AMGCFIUMIPOWNZ-KPKJPENVSA-N 427.327 6.786 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)ccc1OCc1ccccc1C 1874637488 BZVIOLLSURUUJT-ACCUITESSA-N 430.544 6.494 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3cccc(/C=C/C(=O)c4ccc5ccccc5c4)c3)c(C)c2c1 1874693353 ASEGSUANTITVBP-RVDMUPIBSA-N 445.518 7.053 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)cc1 1874694577 KGBNDAUTMANOCO-DHZHZOJOSA-N 446.415 5.181 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cccc(OC)c3)c2)cc1 1874695834 UUHAIZJXRCLHSE-FOWTUZBSSA-N 444.527 6.162 30 10 IKEE Cc1cc(C(=O)/C=C/c2cccc(OC(=O)c3cccc(Br)c3)c2)ccc1F 1874703878 LZVZXZQIBPJNMZ-DHZHZOJOSA-N 439.280 6.012 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(F)c(F)c3F)c2)cc1 1874706005 KXNICQVCOIKZJF-VGOFMYFVSA-N 438.445 6.517 30 10 IKEE CCc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3cc(C(C)C)c(OC)cc3C)c2)cc1 1874710802 JTIDIJZASGFATD-NTCAYCPXSA-N 442.555 6.805 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1OC(=O)c1ccc(F)cc1 1874716120 BOWVAMFTNQWGFA-VGOFMYFVSA-N 446.518 6.556 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccccc2OC)CSc2nnc(C3CC3)n21 1874850101 UILDBDFVBUTCOG-IBGZPJMESA-N 428.602 5.226 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1)c1ccc(-c2ccccc2)cc1 1875080719 QAJMPSIOFRACKE-WOJGMQOQSA-N 438.910 7.122 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OC(=O)Cc1ccc(C)cc1 1875112524 BZKZLHVUEOGNCL-OQLLNIDSSA-N 430.500 5.447 30 10 IKEE CCc1ccc(C(=O)Oc2c(OC)cc(/C=C/C(=O)c3ccc(OC)cc3)cc2OC)cc1 1875112686 OEGAQIYXNBEDGZ-OVCLIPMQSA-N 446.499 5.390 30 10 IKEE O=C(Cc1ccccc1Cl)Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1Cl 1875113288 DJEASGBWLZCUCE-PKNBQFBNSA-N 445.729 6.691 30 10 IKEE C[C@@H](Oc1ccc(Cl)cc1)C(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1 1875123248 YUKUOJDUYCATBF-UDCCBSLUSA-N 441.310 6.262 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)c3ccccc3)c(Cl)c2)cc1 1875129794 UIGNHGNSNYOMLK-IKFRKZOMSA-N 434.919 6.344 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3cc(OC)ccc3OC)cc2)cc1 1875145170 CXCIFSHXGWFRGP-LFIBNONCSA-N 444.527 5.701 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)CC12CC3CC(CC(C3)C1)C2 1875159457 QSKIOYQFVPQAOJ-KRXBUXKQSA-N 448.534 6.242 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1Cl 1875168646 NTQQLHUBIODOSZ-ZRDIBKRKSA-N 448.946 6.698 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3)cc2)cc1Cl 1875185841 REQXLGJYMADVNY-FMIVXFBMSA-N 441.310 6.046 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N1CCCCC1)n2CCOC 1875225263 HYWOVVMLHWMOOC-UHFFFAOYSA-N 443.636 5.256 30 10 IKEE C=CC(=O)c1c(Br)c(Br)cc(Br)c1Br 1906131393 FGQOWVTXRNAWQP-UHFFFAOYSA-N 447.746 5.105 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@H]1CC(C)(C)CN1C(=O)OC(C)(C)C)NCCC 1922061253 XSOKNWGEICOSAO-XZOQPEGZSA-N 430.633 5.553 30 10 IKEE CC1(C)CC[C@@H](Nc2ccc(Br)cc2C#N)[C@@H](CNC(=O)OC(C)(C)C)C1 1927067887 FTOUTPOGWQVFDU-CRAIPNDOSA-N 436.394 5.452 30 10 IKEE C[C@@H]1C[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)OC(C)(C)C 1944373802 BGVNWDKUUVGAGN-QZMQVMSPSA-N 449.617 5.413 30 10 IKEE CCC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1C 1945774338 SZQWGUXYXPQFPU-ICSRJNTNSA-N 431.577 5.570 30 10 IKEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@@]1(C#N)CN(Cc2ccccc2)C2(CCCC2)C1 1950346159 CIQABFBQTUCRSQ-QFIPXVFZSA-N 437.506 5.267 30 10 IKEE CC[C@@H](C(=O)O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(C#N)c1 1979576183 ZXQJGRKZYGGZQK-KBMIEXCESA-N 440.499 5.249 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1982204767 JLJXADBUVCDDQE-NYHFZMIOSA-N 435.952 5.279 30 10 IKEE CCc1cc(Br)c([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)s1 2029266332 CXFXDYCJAYKIFK-INIZCTEOSA-N 427.408 6.207 30 10 IKEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@]1(C#N)CC[C@H](C)C[C@@H]1OCc1ccccc1 2043776925 TWRFSPQCIPLNOH-KJOQGJGQSA-N 443.632 5.233 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)cc(Br)c1)NC 2047965563 QYIYYAYAWPSRGI-DLBZAZTESA-N 431.802 5.093 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H]3C[C@H](OCc4ccccc4)C[C@@H]32)c1 2070323883 AIPUTIOSGREJRR-YQNORIIPSA-N 432.564 6.014 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCCC)c2ccc(Br)s2)C1 2072360315 IFAFFTCJRUORQL-INIZCTEOSA-N 429.424 5.412 30 10 IKEE Fc1ccc(C(F)(F)F)cc1-c1c(C(F)(F)F)nn2c(Cl)c3c(nc12)CCOC3 2081334101 RDFFSMGLJIJPHQ-UHFFFAOYSA-N 439.718 5.299 30 10 IKEE Cc1ccc(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 2084270841 YGXCHVYGBBPRBT-JOCHJYFZSA-N 440.593 6.754 30 10 IKEE N#Cc1ccc(Nc2cc(Br)c(Br)c(Br)c2)cc1F 2095445614 JVPZJCXJPRSWBX-UHFFFAOYSA-N 448.915 5.728 30 10 IKEE C=CCC1([C@@H](N)Cc2cc(Cl)c(C)c(Br)c2)CN(C(=O)OC(C)(C)C)C1 2111272457 KMMRNMPHBVHFLU-KRWDZBQOSA-N 443.813 5.094 30 10 IKEE C[C@@H](C1CC1)N(Cc1ccccc1)c1ncc(C(F)(F)F)cc1B1OC(C)(C)C(C)(C)O1 2116139172 VYGAIGPDPIOHQP-INIZCTEOSA-N 446.322 5.205 30 10 IKEE CC[C@@H]1C[C@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)C[C@@](C#N)(NC2CC2)C1 2118767340 RZKHUQPWAMSREE-MHZHKKNFSA-N 444.667 5.214 30 10 IKEE C=CC1(C[C@H](NCCC)c2ccc(Br)cc2NC(=O)OC(C)(C)C)CCC1 2168021750 AYJSIOSVQSFFOY-IBGZPJMESA-N 437.422 6.583 30 10 IKEE CCN[C@H](CC#C[Si](C)(C)C)c1cc(Cl)c(NC(=O)OC(C)(C)C)c(Cl)c1 2187469192 XADURVGVRNRLCO-QGZVFWFLSA-N 429.464 6.262 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(Nc2cccc(Br)c2)C[C@@H]1C1CCC1 2194184569 CEYGDRZWNPMKGL-WIYYLYMNSA-N 434.378 5.323 30 10 IKEE CCCN[C@](C#N)(CN(Cc1ccccc1)CC1CCCCC1)C1(Br)CC1 2206639792 NJFIJXPWOGOSAW-HSZRJFAPSA-N 432.450 5.258 30 10 IKEE C=CCN(CC[C@@H](NCC)c1ccc(Br)cc1Cl)C(=O)OC(C)(C)C 2222741647 JGYFLILONVXOTG-QGZVFWFLSA-N 431.802 5.566 30 10 IKEE Cc1cc(Cl)cc([C@@H](N)C#Cc2ccccc2Br)c1NC(=O)OC(C)(C)C 2240851077 JIEOEMNGHDUPQB-SFHVURJKSA-N 449.776 5.809 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CSCc1ccc(Br)cc1C#N 2260259409 OGWYFWDLTNYFDN-DYVFJYSZSA-N 425.392 5.199 30 10 IKEE Cc1ccccc1CN1C(=O)[C@@](O)(CC(=O)C=Cc2ccccc2)c2cc(Cl)ccc21 2294377335 VBOAJZKGULBSLR-AREMUKBSSA-N 431.919 5.055 30 10 IKEE CCCCN1C(=O)C(=C2Sc3ccc(Cl)cc3N2CC)SC1=Nc1ccccc1 2295190039 LBIKVCOQQOZPGS-UHFFFAOYSA-N 444.025 6.504 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)CC(C)(C)[C@H](C)NC(=O)OC(C)(C)C 2296296774 RHYHAAZWROKXBD-QFBILLFUSA-N 437.422 5.108 30 10 IKEE O=C1C(=Cc2ccc(Br)cc2)Oc2cc(OC(=O)C3CCCCC3)ccc21 2296593653 AUTSBAJUYOZATP-UHFFFAOYSA-N 427.294 5.551 30 10 IKEE CCN1C(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=Nc1ccc(OC)cc1 2297560623 SWMOBNPBOILOTF-UHFFFAOYSA-N 449.488 5.487 30 10 IKEE O=C1C(=Cc2c(F)cccc2Cl)Oc2cc(OCc3c(F)cccc3Cl)ccc21 2314438441 SJGPRVABFFQTAN-UHFFFAOYSA-N 433.237 6.467 30 10 IKEE Clc1cccc(CSc2nncn2N=Cc2cccc(OCc3ccccc3)c2)c1 2321323513 DAWXTIZPXQXKHX-UHFFFAOYSA-N 434.952 5.685 30 10 IKEE CCCCCCCCCOc1ccc(C=Nn2c(S)nnc2CC(C)C)cc1OC 2321906953 OQAKPQFYSGOMPG-UHFFFAOYSA-N 432.634 5.786 30 10 IKEE CCc1ccc([C@@H](C)N2COc3cc(C)c4c(c3C2)OC(=Cc2sccc2C)C4=O)cc1 2322260255 FQAPIFNCOJXAHG-GOSISDBHSA-N 445.584 6.457 30 10 IKEE CCCNC(=O)COc1c(C=CC(=O)c2ccc3c(c2)CCCC3)cc(Cl)cc1OC 2322335675 MFNDCXWZLLNAIB-UHFFFAOYSA-N 441.955 5.029 30 10 IKEE CCN(CC)CCCCN1COc2c(cc3c(c2C)OC(=Cc2ccccc2F)C3=O)C1 2322388142 XXEXBQSDCHIRDG-UHFFFAOYSA-N 438.543 5.024 30 10 IKEE CCn1cc(C=C2Oc3c(cc4c(c3C)OCN(CCC(C)C)C4)C2=O)c2ccccc21 2322436992 YOXWLRJIEMUMRQ-UHFFFAOYSA-N 430.548 5.784 30 10 IKEE CCOc1ccc(C(=O)C=Cc2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1 2322549777 QTIFKXOEWNSJJG-UHFFFAOYSA-N 442.942 7.367 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(Cl)cc2C=CC(=O)c2ccc(C)cc2C)cc1 2322572907 NRJOJSQIBYFSBD-UHFFFAOYSA-N 447.962 6.433 30 10 IKEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1ccc(F)c(F)c1)NCc1ccccc1 2322781758 OHZCHTUDPOPEPD-UHFFFAOYSA-N 441.861 5.210 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(F)c(F)c2)c1OCC(=O)Nc1cccc(C)c1 2322785085 SEESZDBPDYFGJZ-UHFFFAOYSA-N 437.442 5.195 30 10 IKEE CC(=O)Nc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2C)C3=O)c1 2322969226 WJPINOOSRWYDHY-UHFFFAOYSA-N 427.456 5.097 30 10 IKEE O=C(C=Cc1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1Cl 2322999497 YEYQTXDNXHMKRF-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE O=C(COc1cccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)c1)NCc1ccco1 2323044231 SJSAGISXAMFWIW-UHFFFAOYSA-N 437.495 5.538 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3cc(C)ccc3C)c2)cc1 2323078625 ZNJBDTNVLUQXJD-UHFFFAOYSA-N 441.571 6.560 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc(Cl)c2)c(Cl)c1)c1ccc2c(c1)CCCC2 2323422767 NOMZWGROAFNYQN-UHFFFAOYSA-N 437.366 7.347 30 10 IKEE Cc1c(OC(=O)c2ccc(-n3cccc3)cc2)ccc2c1OC(=Cc1cccc(F)c1)C2=O 2323676081 OFAMMLTVISZRAZ-UHFFFAOYSA-N 439.442 5.760 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2F)cc(OC)c1OCc1cccc(C)c1 2323743784 YKCSLVBDRCMYNG-UHFFFAOYSA-N 434.482 6.485 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cc(C)cc(C)c3)cc2)cc1 2323921404 DBMMWFQBYBWHIJ-UHFFFAOYSA-N 443.543 6.006 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OCC(=O)Nc1ccc(C)cc1 2323960152 WOCOXHCVFZRYJB-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OCCc1ccccc1 2324055156 LAIJWFDXZXRZBK-UHFFFAOYSA-N 448.990 7.164 30 10 IKEE O=C1C(=Cc2ccc(Cl)c(Cl)c2)Oc2c1ccc(O)c2CN1CCCC[C@@H]1CCO 2324140366 HCWIFLCXTVTQSL-OAHLLOKOSA-N 448.346 5.052 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OCc1c(F)cccc1Cl 2324257739 ZXLIQPSPGICRJS-UHFFFAOYSA-N 446.852 6.631 30 10 IKEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)cc2OC)o1 2324356603 AAKHQCGGWJYELU-UHFFFAOYSA-N 448.515 5.784 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)c(C)c1 2324546027 UHVDRUBMTBLUED-UHFFFAOYSA-N 433.935 6.179 30 10 IKEE Cc1c(OCC(=O)N[C@@H](C)c2ccccc2)ccc2c1OC(=Cc1ccccc1Cl)C2=O 2325019921 KNJHEWBZSCKMAE-KRWDZBQOSA-N 447.918 5.521 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C)cc4Cl)ccc3C2=O)cc1 2325294568 VUPFFCPWZWUIMQ-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE Cc1ccsc1C=Nn1c(CCc2ccccc2)nnc1SCc1ccc(F)cc1 2325440387 LKNTYHJEPFDDSW-UHFFFAOYSA-N 436.581 5.747 30 10 IKEE Cc1ccccc1C=Nn1c(CCc2ccccc2)nnc1SCc1cccc(F)c1 2325441896 XIDSDKGCXYRIPJ-UHFFFAOYSA-N 430.552 5.685 30 10 IKEE CCCOc1ccc(C=CC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OC 2325649098 BAWLSVKYCUFZQF-UHFFFAOYSA-N 431.488 5.497 30 10 IKEE COc1cccc(COc2cc(C)c3c(c2)OC(=Cc2ccc(Cl)cc2Cl)C3=O)c1 2325699781 CBMXWJKOCNKTBN-UHFFFAOYSA-N 441.310 6.506 30 10 IKEE CCOc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2325704935 YLRIPDXISGDNQY-UHFFFAOYSA-N 449.890 5.372 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc1OC(=O)C(F)(F)F 2325763626 NLJGGZSWLPHJKI-UHFFFAOYSA-N 428.790 5.029 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC(=O)[C@@H](C)c2ccccc2)c1 2325765927 PUXSJIKKVJBYJA-NRFANRHFSA-N 426.556 6.898 30 10 IKEE COc1cccc(C=Nn2c(CCCOc3ccc(C(C)(C)C)cc3)nnc2SC)c1 2325828156 IYJYYAWFQPJUOZ-UHFFFAOYSA-N 438.597 5.200 30 10 IKEE CCCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccccc1OC 2326139946 FQLURCCWBNTZAF-UHFFFAOYSA-N 444.988 5.520 30 10 IKEE C=C(C)CSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccc(N(C)C)cc1 2327272518 ZZNJAERBYVFIJV-UHFFFAOYSA-N 449.624 5.399 30 10 IKEE CCCSc1nnc(CCc2ccccc2Cl)n1N=Cc1cccc(OCC)c1 2327980170 NBDWCZLGLIHXJA-UHFFFAOYSA-N 428.989 5.500 30 10 IKEE C=C(C)CSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1ccccc1OC 2328155901 IMASLLLVYLJEKT-UHFFFAOYSA-N 426.630 6.301 30 10 IKEE Cc1ccc(OCc2nnc(SCc3cccc(F)c3)n2N=Cc2ccccc2)cc1C 2328782248 XSXWGYKWWJTOHO-UHFFFAOYSA-N 446.551 5.788 30 10 IKEE C=CCSc1nnc(COc2cccc(C)c2C)n1N=Cc1ccc(C(C)(C)C)cc1 2328857521 RVWIOOPEIOWRKA-UHFFFAOYSA-N 434.609 5.932 30 10 IKEE Cc1ccc(C=Nn2c(CCc3ccccc3C)nnc2SCCc2ccccc2)cc1 2329489516 SQYGUYMMBWOUQQ-UHFFFAOYSA-N 440.616 5.897 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3F)n2N=Cc2ccccc2O)cc1 2329700692 JDSMNROYRGCJPK-UHFFFAOYSA-N 432.524 5.197 30 10 IKEE Fc1ccc(C=Nn2c(Cc3ccccc3F)nnc2SCc2cccc(F)c2)cc1 2329722553 QMIUIJTXEYMIMX-UHFFFAOYSA-N 438.478 5.461 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2-c2ccccc2)cc1 2330651530 JRSNVNBXAPKSBD-UHFFFAOYSA-N 430.552 6.382 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@@H]3CCCO3)n2N=Cc2ccccc2Cl)c1 2330961337 BMGWDILRBIKROT-FQEVSTJZSA-N 426.973 5.574 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)cc2)cc(OC)c1OC(=O)Cc1ccccc1 2330982087 KTQAZSLESQJIJI-UHFFFAOYSA-N 442.511 5.477 30 10 IKEE C=CCSc1nnc(C(F)(F)F)n1N=Cc1ccc(OCc2ccccc2C)cc1 2331143929 MHSOVLNVXYGALY-UHFFFAOYSA-N 432.471 5.345 30 10 IKEE Oc1cccc(C=Nn2c(SCc3cccc4ccccc34)nnc2-c2ccco2)c1 2331216593 ZLOYKAHHCJTGCM-UHFFFAOYSA-N 426.501 5.571 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)c1cccnc1 2331232025 IYYYUMAVMBAUFQ-UHFFFAOYSA-N 427.500 5.551 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1cccc(C)c1 2331254455 OKRWDTPRYSAORT-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)c(Cl)c2)cc1 2331265902 AYXSPXBLDDAENG-UHFFFAOYSA-N 432.947 7.061 30 10 IKEE COCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(Cl)cc1 2331616332 IYSYRIJUXKFZGJ-UHFFFAOYSA-N 425.316 5.045 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)CCc1ccccc1 2331632448 SXSNWXCYNUEFKG-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)CCCSC 2331762685 CUYUILHGOZKSEV-UHFFFAOYSA-N 446.996 6.219 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1CNc1ccc(Br)cc1C#N 2358976961 GWZSFGRCLRJTNB-YJLNNSPDSA-N 434.378 5.301 30 10 IKEE CCc1csc(C#C[C@H](N)c2cc(Cl)c(NC(=O)OC(C)(C)C)c(Cl)c2)n1 2363980371 GMJWKDWVGPKUQZ-HNNXBMFYSA-N 426.369 5.411 30 10 IKEE CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=N/Nc2nc3ccccc3s2)C(C)(C)CCC1 5231817 KCMAPBCFQUECSB-SKZNHFNYSA-N 431.649 8.226 30 10 IKEE Clc1ccc(/C=N/Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)cc1Cl 8386567 DFQZKDUCCMXISQ-ZVHZXABRSA-N 442.354 5.358 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)CCSc2n[nH]c(N/N=C(\C)c3cccs3)n2)cc1 20835854 GHWLHJHPYOVNQQ-YJMCUSNWSA-N 442.614 5.337 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O)c1ccc(Cl)cc1 39754328 QIXYCPJWZBUBNM-JJFYIABZSA-N 425.267 5.871 30 10 IKEE C=C(C)C(=O)NCCCCCc1nc2ccccc2n1CCCCOc1ccc(C)c(C)c1 40219840 FMXFXVDMSOETAT-UHFFFAOYSA-N 447.623 5.917 30 10 IKEE COc1ccc2c(c1)c(/C=C1\Oc3cc(OC(=O)c4cccc(F)c4)ccc3C1=O)cn2C 41430829 FNWZRXBMRNDLGG-MYKKPKGFSA-N 443.430 5.161 30 10 IKEE CCn1cc(/C=C2\Oc3c(cc4c(c3C)OCN(C3CCCC3)C4)C2=O)c2ccccc21 41589068 OOLJITCHWFBRIF-CFRMEGHHSA-N 428.532 5.680 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(CCc1cccs1)C3 41646495 YFIMHRFDFDOSAE-UCQKPKSFSA-N 447.556 5.466 30 10 IKEE O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(OCC(F)(F)C(F)F)c([N+](=O)[O-])c1 59922781 LNXSMUDCJVVUBB-UHFFFAOYSA-N 440.271 5.145 30 10 IKEE CCCCCCCOc1ccc(NC(=O)CNc2ccc(C)c(NC(=O)CC)c2)cc1 100118655 SHUMUBFGJOZUIA-UHFFFAOYSA-N 425.573 5.743 30 10 IKEE CCCCCCCOc1ccccc1[C@@]1(C)Nc2ccccc2C(=O)N1C[C@@H]1CCCO1 100141082 RYDHWEQYJCFAJT-IDISGSTGSA-N 436.596 5.955 30 10 IKEE CCCCCCCCCCn1c(CCCNC(=O)C2CCCCC2)nc2ccccc21 101322555 GEFAWQCOLUWFNO-UHFFFAOYSA-N 425.661 6.806 30 10 IKEE CCCCCCCOc1cc(C(NC(=O)C(C)(C)C)NC(=O)C(C)(C)C)ccc1OC 101328827 PGVWZFUXDSWBIQ-UHFFFAOYSA-N 434.621 5.368 30 10 IKEE CCCCCCCCCCCCCCC#CC#CC#CCCCCCCCCC(=O)O 138607888 HTKRVRRIWSEOMZ-UHFFFAOYSA-N 426.685 8.293 30 10 IKEE COc1cc(/C=N/Nc2cccc(C(=O)O)c2)ccc1OCc1c(Cl)cccc1Cl 169876854 FMZMQFPWXJERIH-BRJLIKDPSA-N 445.302 5.725 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2cc(C)cc(C)c2)cc1 169922354 GMOSUNIKXNEKAN-VWLOTQADSA-N 441.527 5.712 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3ccccc3)c(C)s2)cc(Cl)c1OCC(C)C 169940762 PYSJHPJYYOSSSO-MXAYSNPKSA-N 444.000 6.651 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc(C)c2)cc1 169968873 KUYNRKMUQHFLFO-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccccn2)cc1C 169991963 QFCAVIRLRVQZPU-XMMPIXPASA-N 442.515 5.305 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccncc2)cc1 170017350 BIZSAECXWJQKKB-RUZDIDTESA-N 440.543 5.481 30 10 IKEE CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccccc2)cc1 170053335 STDNIUPVGXGRRF-XMMPIXPASA-N 440.499 5.045 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccc(F)cc2)cc1 170062519 AEAYWJCFVGCIJN-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccccc2F)cc1 170072365 SPDAJXLHYWLIMW-HSZRJFAPSA-N 433.454 5.306 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2c[nH]c3ccccc23)cc1 170074759 HILUKLJMCMWSNG-XMMPIXPASA-N 438.483 5.219 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccccc2C)cc1 170088070 PBXHQYBPNQFCSX-HSZRJFAPSA-N 433.454 5.619 30 10 IKEE Cc1cc2nc(N3C(=O)C(O)=C(C(=O)c4cccc(Cl)c4)[C@H]3c3ccco3)[nH]c2cc1C 170098847 CODZFZZXYWMTKZ-HXUWFJFHSA-N 447.878 5.209 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2cccc(F)c2)c1 170140021 GUVYQTHIETXDNS-HSZRJFAPSA-N 426.447 5.398 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1cccs1 170155602 QLUCRHLIADZSMR-IBGZPJMESA-N 443.883 5.332 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccs2)c1 170156727 DNCRFPLUCHJMSL-OYHNWAKOSA-N 431.513 5.163 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1cccs1 170159415 FIDJPJPDSXJPDC-IBGZPJMESA-N 439.920 5.501 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C(C)(C)C)ccc3C)[C@@H]2c2cccs2)cc1 170159709 QGYVGXPPJBEHNA-QHCPKHFHSA-N 445.584 6.445 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccnc2)ccc1Cl 170185505 LWVFRBRWHRMBEJ-JOCHJYFZSA-N 448.906 5.225 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@@H]1c1ccc(Cl)cc1 170236394 SCCVEJZWRYXHJZ-NRFANRHFSA-N 427.928 5.460 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 170266049 NFBRVMGDSMLZTN-NOZRDPDXSA-N 441.527 5.160 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccco2)cc1 170286655 NABZPMCBMJYXDM-OAQYLSRUSA-N 437.879 5.505 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2sccc2C)c1 170314259 RBXLLGDYMVBVRZ-IBGZPJMESA-N 434.473 5.056 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@H]1c1sccc1C 170318687 WOYHSMSBKQGXIR-FQEVSTJZSA-N 427.566 5.567 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 170362670 QRGJLRMKVFYFNJ-DEOSSOPVSA-N 438.483 5.130 30 10 IKEE CCOc1cc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(Cl)cc2)ccc1OC 170440627 WXGYPQWVPMMSFX-QFIPXVFZSA-N 443.927 5.263 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1cccc(Oc2ccccc2)c1 170457138 WZZFTXMPCLUKPW-HSZRJFAPSA-N 442.515 5.385 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@H]2c2cccc(C)c2)cc1OCC 170459475 FTYZCZSFTOFBJV-XMMPIXPASA-N 437.536 5.308 30 10 IKEE COc1cc(/C=C\C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)ccc1OCC#N 207626080 VDOISUNGHVQFCL-QPEQYQDCSA-N 441.512 5.526 30 10 IKEE Cc1cccc2oc(-c3cc(N=Cc4ccc(-c5cccc(Cl)c5)o4)ccc3O)nc12 252623184 OLWURIXSGARMNR-UHFFFAOYSA-N 428.875 7.173 30 10 IKEE COc1cc(C=Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c([N+](=O)[O-])cc1OC 254307984 HLFBZNAVJDCLCR-UHFFFAOYSA-N 433.489 5.948 30 10 IKEE COc1ccc(OC)c(/C=C2\SC(=Nc3ccccc3)N(CCc3ccccc3)C2=O)c1 254344256 VDFSRGUKTMXNFI-MMKHHPBPSA-N 444.556 5.551 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cccc(Br)c1F 407332268 ATOVJJHFJHOCID-AEFFLSMTSA-N 429.374 5.488 30 10 IKEE CCC(CC)(CNC(=O)c1cc(C#N)c(SC)nc1O)c1ccc(Cl)c(Cl)c1 490590672 WLTNYSQVZZAIKN-UHFFFAOYSA-N 438.380 5.175 30 10 IKEE CN(C)c1ccc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526487707 GDUDQKFHCAECRY-QHCPKHFHSA-N 429.907 5.335 30 10 IKEE CC(C)COc1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526488463 JDHPVSDOSXERLB-VWLOTQADSA-N 442.490 5.789 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(F)c2)cc1 526708711 BKIQUKVKPFLZSE-DEOSSOPVSA-N 445.490 5.788 30 10 IKEE CCOc1cc(/C=N\n2c(C)nnc2SCc2ccc(F)cc2)cc(Cl)c1OCC 526801543 VHSMQSUVMPKSOK-MSXFZWOLSA-N 448.951 5.351 30 10 IKEE CCCCOc1cccc(/C=N\n2c(C)nnc2SCc2ccc(Cl)c(Cl)c2)c1 526814720 OSKFPIBDEMBKGR-CFRMEGHHSA-N 449.407 6.247 30 10 IKEE C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@H](C)/C=C\[C@@](C)(O)C(C)(C)O 606302931 BPEQZNMKGFTMQE-SDIVLNPASA-N 428.657 5.871 30 10 IKEE COc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(C)c2)c(Br)c1 698418051 LAUOLQYRICYRAK-IBGZPJMESA-N 431.330 5.773 30 10 IKEE CC(C)[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 698937579 ANVSFYQIBNOKBF-VQIMIIECSA-N 435.540 5.256 30 10 IKEE C[C@@H]1c2ccccc2C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 698963237 HOCVZCGGTKOYED-IVZQSRNASA-N 427.342 5.813 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCN(C(=O)OCc2ccccc2)C1 720802689 FJFLPFCABSYUPH-SANMLTNESA-N 449.551 5.432 30 10 IKEE CCCCCCCCC[C@@H](NC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 822109701 AFRZJNYDQDOGEZ-SHQCIBLASA-N 445.692 5.885 30 10 IKEE COc1ccccc1C=Nc1nc(-c2ccc(C)cc2C)c(-c2ccc([N+](=O)[O-])cc2)s1 1084352297 YCXPBYRNJPWEMD-UHFFFAOYSA-N 443.528 6.761 30 10 IKEE C#CCOC(=O)/C=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 1084418234 LTCPSQDGJVKWNW-ALCCZGGFSA-N 425.695 5.424 30 10 IKEE O=C1/C(=C/c2ccc(Br)o2)SC(=Nc2ccccn2)N1c1ccccc1 1772731881 RNEINOZZKCYPIQ-FDXKLOFQSA-N 426.295 5.246 30 10 IKEE O=C1/C(=C\c2cccnc2)SC(=Nc2nc(-c3ccccc3)cs2)N1c1ccccc1 1772737346 MKHLQEPMJQEMLK-RWYGKYMDSA-N 440.553 6.014 30 10 IKEE O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=Nc2ccncc2Cl)N1c1ccccc1 1772737709 QGTYZQSWVWICPN-DGIAZZNKSA-N 436.880 5.452 30 10 IKEE Cc1c(N=Nc2ccc(Cl)cc2Cl)c(O)n([C@@H](C)c2ccccc2)c(=O)c1C#N 1772740267 GGKGDPGUEKNUPR-ZDUSSCGKSA-N 427.291 6.066 30 10 IKEE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1C(=NNC(N)=S)CCC2 1772749860 GFDDXCOEBSCDIG-UHFFFAOYSA-N 446.536 5.129 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2)SC(=NN=Cc2ccccc2F)N1Cc1ccco1 1772759286 PFHMQTSZFBNIPY-FIRUFQLUSA-N 439.899 5.579 30 10 IKEE CCCCCCCCCCCCCC[C@@H](C)O[S@](=O)(=S)CCCCCCCC 1848349916 VWJIXEVUJAFBAX-YWEHKCAJSA-N 434.796 8.505 30 10 IKEE CCCCCCCCn1cc(OCc2c(Cl)cccc2Cl)c(=O)cc1C(=O)O 1857891058 KVGOFTNJPKDQNW-UHFFFAOYSA-N 426.340 5.793 30 10 IKEE COc1ccc(-c2nc3ccc(C(=O)Nc4ccc(C#N)cc4)cc3[nH]2)cc1OCC(C)C 1859440748 ADXCHCWUAQGNII-UHFFFAOYSA-N 440.503 5.397 30 10 IKEE C=C(C)Cc1c(C)nn(CCC(=O)N2CCC[C@H]2c2nc3ccccc3n2C(C)C)c1C 1860305183 NOFRCUGFOBEOMG-DEOSSOPVSA-N 433.600 5.303 30 10 IKEE C[C@H](Sc1nc(O)c(C#N)c(-c2cccc(Cl)c2)n1)C(=O)Nc1ccccc1Cl 1860463667 MRGDGYWEAFKUOC-NSHDSACASA-N 445.331 5.147 30 10 IKEE N#Cc1cccc(C(=O)Oc2ccc(C3CCN(C(=O)c4cc5ccccc5[nH]4)CC3)cc2)c1 1860708624 IUVPLAKHIVVIPC-UHFFFAOYSA-N 449.510 5.279 30 10 IKEE CCCCCCCCNC(=O)C(C)(C)NC(=O)c1ccc2nc(Cc3ccccc3)[nH]c2c1 1860970123 ZSRVSRDRVUWTNL-UHFFFAOYSA-N 448.611 5.139 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2cc(C)ccc2C)n(Cc2c(F)cccc2Cl)n1 1862345955 RMPBKZUMDSDWDK-UHFFFAOYSA-N 437.946 5.822 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862438791 QZNWSIUCYKWDAW-SFHVURJKSA-N 449.290 5.136 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(N(CC)CC)cc1 1862451496 HKNZSDPVIMNWLD-AOMKIAJQSA-N 440.971 5.563 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862488449 ADYOPCYTRKVJLE-VWLOTQADSA-N 441.527 5.399 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cccc(C)c1 1862508011 XBESXHQCJXEFFN-XMMPIXPASA-N 437.555 6.381 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccc(F)cc2)cc1 1862530009 MHBJRHPYUIGXNL-OSPHWJPCSA-N 429.491 5.728 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2cccc(Cl)c2)cc1 1862535686 ITRLYZLKIFZGTA-DEOSSOPVSA-N 445.946 5.989 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)OCO3)=C(O)C(=O)N1CCC1=CCCCC1 1862626207 XJURLFWCWIEYDR-XMMPIXPASA-N 445.515 5.193 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc(O)c1 1862649526 AJDVYAPBWYZIQR-QYBDOPJKSA-N 449.506 5.885 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc(O)c1 1862649527 AJDVYAPBWYZIQR-WXTAPIANSA-N 449.506 5.885 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc(O)c(O)c2)cc1 1862664425 ZUWFINIEGIQETO-SRDOKRBCSA-N 449.547 5.378 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C2CCCC2)cc1 1862679263 BDODMEWDSMHHHE-QHCPKHFHSA-N 436.527 5.193 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2c(Cl)cccc2Cl)cc1 1862689982 DZRNPIJWBNZJFX-IBGZPJMESA-N 434.319 5.236 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H](C)c2ccccc2)=C(c2ccc(F)cc2F)C1=O 1863661900 YBXSETLHKUJEEB-SFHVURJKSA-N 440.534 5.756 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccc(C)cc2)=C(c2ccc(OC)cc2)C1=O 1863671462 RRTQIEPDHVJLDI-UHFFFAOYSA-N 434.580 5.234 30 10 IKEE CCc1ccc(OCCCC(=O)Nc2scc(C(C)(C)C)c2C#N)c(Br)c1 1865769203 OHGZILGZXOFCLW-UHFFFAOYSA-N 449.414 6.040 30 10 IKEE Cc1ccc([C@H](C#N)NC(=O)c2ccc(N3COc4ccc5ccccc5c4C3)cc2)cc1 1868015449 CAQARTYBGOZFIA-SANMLTNESA-N 433.511 5.499 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC[C@@H]2c2nc3ccccc3s2)nc(C(C)(C)C)n1 1869170939 DOIZYTAEIGQVJP-LJQANCHMSA-N 433.625 5.904 30 10 IKEE CCCCCCCCCCn1cc(OCCCCC)c(=O)cc1CSc1ncccn1 1870189000 YKKMPAGQDTWOAZ-UHFFFAOYSA-N 445.673 6.640 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2Cl)c(CN(CC)CCCC)cc1=O 1870409208 LMLADILVWIGDRU-UHFFFAOYSA-N 447.063 6.521 30 10 IKEE CCCCCCCCCCn1cc(OCC(C)C)c(=O)cc1CNc1cc(C)ccc1C 1870858631 RHMGZFYDNKRZNE-UHFFFAOYSA-N 440.672 7.253 30 10 IKEE C=CCn1cc(OCCCCOc2ccccc2)c(=O)cc1CNc1ccc(C)c(F)c1 1871224450 YZPWYGJRHWNDJU-UHFFFAOYSA-N 436.527 5.332 30 10 IKEE N#Cc1ccc(COc2cn(Cc3ccc(F)cc3)c(CNc3ccccc3)cc2=O)cc1 1871251957 DPYPCPSBOAYVGM-UHFFFAOYSA-N 439.490 5.098 30 10 IKEE COc1ccc([C@H](C)N2COc3cc(C)c4c(c3C2)O/C(=C\c2ccc(F)cc2)C4=O)cc1 1871354233 LILXIKUIOALIIL-GHRPQRKGSA-N 445.490 5.672 30 10 IKEE COc1ccc(CC(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2C)C3=O)cc1OC 1871374547 PZOCZMVKZHUGPU-IWIPYMOSSA-N 444.483 5.085 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2)C3=O)c(OCC)c1 1871386933 VPGKIBCTCGWXID-OYKKKHCWSA-N 444.483 5.628 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O 1871402024 CFKZIYWALSZQCF-VOMLJKFNSA-N 433.529 5.641 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OCc3ccc(C(=O)OC(C)C)cc3)ccc2C1=O 1871404669 NOPMVFGHELLLKQ-XKZIYDEJSA-N 434.513 5.817 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc(OCc3nc(O)c4ccccc4n3)c2C)C1=O 1871431100 UJRPIXVASLFTEL-ODLFYWEKSA-N 430.485 5.209 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4c(C)cccc4C)cc(C)c3C2=O)o1 1871431526 VCKASUMQKVTPOQ-WQFTWXBESA-N 431.488 5.535 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCc4cccc(Oc5ccccc5)c4)cc(C)c3C2=O)o1 1871436876 UVVGFAVQDGTKDK-YSMPRRRNSA-N 438.479 6.884 30 10 IKEE CCOC(=O)c1ccc(COc2ccc3c(c2C)O/C(=C\c2ccccc2Cl)C3=O)o1 1871439159 KUCVHFFVBUMZHH-MTJSOVHGSA-N 438.863 5.613 30 10 IKEE CCc1cccc(CC)c1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccncc1)C2=O 1871455073 AHFSUEKUGJJCDU-HAHDFKILSA-N 442.515 5.149 30 10 IKEE CCCCCCCCCCN=c1nc(N2CCCCC2)[nH]c(=Nc2ccc(F)c(F)c2)[nH]1 1871685791 YULPKAOIAOXAIM-UHFFFAOYSA-N 446.590 5.280 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 1871802003 QVWZCMWSEAYXKE-QFIPXVFZSA-N 449.016 5.413 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(C(C)C)cc1)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1871829764 MGSBDZXRSHZFCM-DEOSSOPVSA-N 442.625 5.267 30 10 IKEE C=CCN([C@H](C(=O)Nc1cccc(Cl)c1C)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872436135 BHSODCJUKFFOAU-VGSWGCGISA-N 449.016 5.187 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(Cl)cc1C)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872508637 YVGVSKHEODMBGI-VGSWGCGISA-N 449.016 5.187 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)COc3cc(Cl)ccc3Cl)n2)cc1 1872767902 DIXJZLSHUKIJKV-INIZCTEOSA-N 447.343 5.771 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)n2)cc1 1872770575 YKWMERQUXQCBSM-DVZTZUIZSA-N 433.489 5.397 30 10 IKEE Cc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)c(C(C)(C)C)c1 1872773556 QKTPMOOHGSPGLW-QGZVFWFLSA-N 448.544 5.400 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(Br)cc3)n2)cc1C 1872783112 RPWNMDFIDQDQRT-GOSISDBHSA-N 425.351 5.608 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-n4cccc4)cc3)n2)cc1Cl 1872789297 DMBAEHSSVBSOAU-SFHVURJKSA-N 433.920 5.753 30 10 IKEE CN(CC(=O)[C@@H](C#N)c1nc(-c2ccccc2)c(-c2ccccc2)s1)Cc1ccccc1 1872801263 ZVLUPMONNVNRAI-HSZRJFAPSA-N 437.568 5.785 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2C)C(=O)N([C@@H](CC)CCCCC)C1=O 1873104137 KZPHPVYAAOSHPR-QFIPXVFZSA-N 426.645 6.384 30 10 IKEE CCCCCCCCNC1=C(c2cccc(Cl)c2Cl)C(=O)N(CCCC)C1=O 1873129130 DSURFZIKDNECKW-UHFFFAOYSA-N 425.400 5.824 30 10 IKEE COc1cc(/C=N/Nc2oc(-c3ccccc3)nc2C#N)ccc1OCc1ccccc1F 1873470143 ADKFJKRAPIAVHX-RWPZCVJISA-N 442.450 5.386 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)NCCCCc1ccccc1)n2CCCC 1873580998 SJDOMPRPKHOKJK-UHFFFAOYSA-N 445.611 5.163 30 10 IKEE CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1ccc(Cl)cc1 1874202438 BIXHHNOWQFRMFB-AFUMVMLFSA-N 443.016 6.111 30 10 IKEE CCCSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874259054 LPRUHFXIGVWCAE-HZHRSRAPSA-N 439.541 5.102 30 10 IKEE C=CCSc1nnc(CCc2ccccc2C)n1/N=C/c1ccc(OCCCC)cc1 1874362155 QJBDEMUROKJPOP-LGUFXXKBSA-N 434.609 5.711 30 10 IKEE C(=N/n1c(Cc2cccs2)nnc1SCc1cccc2ccccc12)\c1ccncc1 1874413951 UELOTCRGTVPQBA-WGOQTCKBSA-N 441.585 5.653 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(Cc2ccccc2)nnc1SCc1ccccc1 1874416837 KLEUWNUXXCLIOD-OVVQPSECSA-N 442.588 5.831 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3cccs3)n2/N=C/c2ccc(C(=O)O)cc2)c1 1874422392 JRQCBCPRKNUOMK-ZMOGYAJESA-N 448.573 5.496 30 10 IKEE COc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2-c2ccccc2)cc1OC 1874428740 ZIQIAOPHWJOVHU-NLRVBDNBSA-N 444.560 5.179 30 10 IKEE CCOc1cccc(/C=N/n2c(CCOC)nnc2SCc2cccc3ccccc23)c1 1874473411 CZYGRUXTLMIUPT-YZSQISJMSA-N 446.576 5.193 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccccc2C)n1/N=C/c1ccc(C(C)(C)C)cc1 1874503757 YJSQPBFTAAUQBR-WGOQTCKBSA-N 449.624 5.450 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1cccc(Cl)c1 1874511456 ZDVNTGQUTBXPNR-FOKLQQMPSA-N 439.799 6.365 30 10 IKEE CCOc1ccc(/C=N/n2c(CC)nnc2SCc2cc(C)ccc2C)cc1OCC 1874526442 ODCSHQJDTPHVRK-MFKUBSTISA-N 438.597 5.429 30 10 IKEE CCOc1cc(/C=N/n2c(C)nnc2SCc2ccc(Cl)c(Cl)c2)ccc1O 1874535252 DKHORRRTQIFGDN-LSHDLFTRSA-N 437.352 5.172 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Br)cc(OC)c2OCCCO)cc1 1874573844 IDGYJVKNWOSLMB-VAWYXSNFSA-N 447.369 5.458 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(F)c(C)c2)c1OCC(=O)OCC(C)C 1874581178 AMGZHYAUTXFEEV-SOFGYWHQSA-N 434.891 5.270 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2c(OCc3cc(C)ccc3C)ccc3ccccc23)c(C)c1 1874590146 VIXGNVTTXCKEDO-BUHFOSPRSA-N 434.579 7.857 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3ccccc3Cl)c2)cc1 1874595827 GCPACAUJMZTUHA-RIYZIHGNSA-N 436.935 6.613 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)c(C)c1 1874600491 PCBDVCKOXBSCQE-JXMROGBWSA-N 425.355 7.394 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccc2ccccc2c1 1874602373 ITEVNMATGMFQKH-VGOFMYFVSA-N 433.334 7.622 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(F)cc3F)cc2Cl)c1 1874611805 RZNUHGXLWYNACT-WEVVVXLNSA-N 441.861 5.840 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1cccc(Cl)c1 1874613405 SCQHCCYOTPKLDF-BJMVGYQFSA-N 447.745 7.131 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OCc1c(F)cccc1Cl 1874614376 NPLXGQPUBYONHG-ZHACJKMWSA-N 431.290 6.616 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3C)c(Cl)c2)c1 1874618129 LIJZZZADBJIDGK-ZRDIBKRKSA-N 433.935 6.179 30 10 IKEE Cc1ccc(C)c(COc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2[N+](=O)[O-])c1 1874624156 OMDPTZPUFVIGNO-NTUHNPAUSA-N 429.516 6.810 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)c1cccc(Cl)c1 1874697816 BPQDVTWCGHHMCJ-VZUCSPMQSA-N 437.835 5.372 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cnccn3)c2)cc1OCCC 1874699242 LHJVCSAISPYGBK-CSKARUKUSA-N 446.503 5.170 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(OC)c(OC)c3)c2)cc1 1874701661 DTYZOTQVDSCEGC-RIYZIHGNSA-N 446.499 5.608 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cccc([N+](=O)[O-])c3)c2)c(C)c1C 1874712061 OZJUCYCYNWXVKF-ZRDIBKRKSA-N 431.444 5.336 30 10 IKEE C=CCN(CC=C)CCC(=O)c1ccc(OC(=O)c2c(Cl)ccc(Cl)c2OC)cc1 1874744134 RJEDKGHDPSUUCW-UHFFFAOYSA-N 448.346 5.468 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(F)cc2)CSc2nnc([C@H]3CCCO3)n21 1874947090 VLIXDBZCRIYCKE-VQTJNVASSA-N 446.592 5.331 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)c(C)c3)cc2)cc1 1875105864 PXQITXWBDIUWQW-GZTJUZNOSA-N 430.519 6.521 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)c1cccc(Cl)c1 1875119876 QYGANAHWMGYDCF-ACCUITESSA-N 436.891 5.863 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC(=O)c1ccc(F)c(F)c1F 1875121911 BFULQEYOTDYSFT-KRXBUXKQSA-N 448.343 5.506 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1 1875123227 XXVNINZHXPUQOA-LICLKQGHSA-N 434.919 6.309 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)c1cccs1 1875124477 NGSDTQUHAGXJQA-CMDGGOBGSA-N 447.339 6.569 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)c1cc2ccccc2n1C 1875136776 WPOKLRJVGMEYDM-GXDHUFHOSA-N 425.484 5.611 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)CCCSC 1875140042 NDCGWLKEOKHNAG-OUKQBFOZSA-N 438.589 5.985 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3)c([N+](=O)[O-])c2)ccc1F 1875142368 XZCLJCPPGNGHFK-KPKJPENVSA-N 433.435 5.477 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc(OC)c1OC(=O)c1ccco1 1875171188 KLOCUUMEZWIVKF-ZHACJKMWSA-N 446.499 5.757 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)c1ccccn1 1875174775 HWYGFLJLKRYOSR-PKNBQFBNSA-N 435.907 5.866 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)[C@H]2CCCO2)c(Cl)c1 1875180893 DRFJZCNRQKZQNK-ZEZYUPADSA-N 435.303 5.291 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc(OC)c1OC(=O)C1CC1 1875193905 FYQXYJCVYIFTPX-UXBLZVDNSA-N 426.896 5.297 30 10 IKEE C=CCc1c(O)nc(-c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)nc1O 1875669947 VBLAMNNVYVRZPP-UHFFFAOYSA-N 440.499 5.441 30 10 IKEE C#CC[C@H](C)C[C@H](NCCC)c1cc(I)ccc1Br 1887488027 FEEFNNZYXNPLEW-LRDDRELGSA-N 434.159 5.144 30 10 IKEE Cc1nc(-c2ccc(F)cc2)sc1C(=O)NCC#CCOc1cccc(C(F)(F)F)c1 1891459999 WTMVAOUQIQWVOT-UHFFFAOYSA-N 448.441 5.089 30 10 IKEE CCCN[C@@H](C#CC1(SC)CCC1)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 1899963904 WDSMJXFHBIHIII-QFIPXVFZSA-N 430.658 5.471 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CCc1cnc(NC(=O)OC(C)(C)C)s1)NCC 1922104026 POUXNMBRDHWRPW-HXUWFJFHSA-N 431.602 5.174 30 10 IKEE CC(C)[C@H](NC(=O)OC(C)(C)C)[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 1941062072 RKUJPZFXKWSCGI-MBSDFSHPSA-N 435.540 5.399 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H]([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)C1 1993188795 WSSSEKYOXVRZDD-YJBOKZPZSA-N 435.952 5.231 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCC1)[C@]1(C#N)CCC(F)(F)C[C@@H]1OCc1ccccc1 1998813833 JMHKCBAMQDVCEO-REWPJTCUSA-N 434.527 5.833 30 10 IKEE O=C(CC#CC1CC1)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071361396 WACYPHIGRFCAAV-NDEPHWFRSA-N 426.512 5.251 30 10 IKEE CCc1nn([C@H](c2ccc(C3CCC3)cc2)C2CCC2)c(I)c1C#N 2079902417 GRUGYLHQYGPVEU-FQEVSTJZSA-N 445.348 5.579 30 10 IKEE CCc1nn([C@@H](c2c(C)cc(C)cc2C)C2CCC2)c(I)c1C#N 2079977268 JVJJYBFIQCGWAI-LJQANCHMSA-N 433.337 5.237 30 10 IKEE CCOc1ccc([C@@H](C2CCC2)n2nc(C(C)C)c(C#N)c2I)cc1 2080079316 FUYBILFVMHAUHG-LJQANCHMSA-N 449.336 5.271 30 10 IKEE N#Cc1cc(Br)cc(NCc2cc(Br)ccc2Br)c1 2088102267 LLCRYYMGIHQZTH-UHFFFAOYSA-N 444.952 5.458 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CC[C@@H]2[C@H](C1)C2(F)F 2090785846 UYMZCRFCCGDCQY-FHSNZYRGSA-N 427.289 5.518 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)C1(C#N)CCC(C(F)F)CC1 2093099453 WOMZEFAJCXKPBZ-UHFFFAOYSA-N 429.305 5.908 30 10 IKEE C#CCN(C[C@H](NCCC)c1ccc(Cl)c(Br)c1F)C(=O)OC(C)(C)C 2097183864 KZPPZWGICDOJFO-HNNXBMFYSA-N 447.776 5.153 30 10 IKEE C=CCN(CC[C@H](NCC)c1c(F)ccc(F)c1Br)C(=O)OC(C)(C)C 2099295441 RISILBMUMCLXFH-HNNXBMFYSA-N 433.337 5.191 30 10 IKEE CC(C)c1ncc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)s1 2114344267 NTAFBVSBFPUTFF-OAHLLOKOSA-N 436.375 6.035 30 10 IKEE CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1Nc1cc(Br)ccc1C#N 2149854908 ZSAWKZAJTJHAPI-AEFFLSMTSA-N 436.394 5.404 30 10 IKEE CC(C)c1ccccc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2174246896 LHISHJWWTTZJEV-HXUWFJFHSA-N 429.358 6.579 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)cc1CC 2229252562 SAGNQQIHKFGBBJ-RBUKOAKNSA-N 425.411 5.522 30 10 IKEE C=C1CC(C[C@H](NCC)[C@H](Cc2cccc(Br)c2)NC(=O)OC(C)(C)C)C1 2237407665 TUNDRRNGIDGTSI-PMACEKPBSA-N 437.422 5.219 30 10 IKEE CCCCCCC[C@H](NC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237421186 BUIYJPCYZHHKAN-VQTJNVASSA-N 441.454 5.833 30 10 IKEE C=CC[C@@H](C)[C@H](NCCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237480006 BTETVLJCYZJXAD-UXPWSPDFSA-N 439.438 5.465 30 10 IKEE C=CCCC1([C@H](O)c2c(C)sc(C)c2Br)CN(C(=O)OC(C)(C)C)C1 2254993254 DFXZJDDZAYZDOC-MRXNPFEDSA-N 430.408 5.364 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](N)c1cc(Br)cc(C(C)(C)C)c1 2273001608 SINWFJHRCBKJAF-QZTJIDSGSA-N 425.411 5.606 30 10 IKEE C=CCN(CC[C@H](NCCC)c1cc(OC)c(Br)s1)C(=O)OC(C)(C)C 2278365157 CRBGCGRWYPGCRP-AWEZNQCLSA-N 447.439 5.373 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Br)cc(C(C)C)c1 2280707827 CZRUNAKYISRYCH-VQTJNVASSA-N 439.438 6.083 30 10 IKEE C[C@H](c1ccc(NC(=O)OC(C)(C)C)cc1)[C@@H](N)C#Cc1cccc(Br)c1 2296216175 IBGOKDDVFMSHBW-QRWLVFNGSA-N 429.358 5.279 30 10 IKEE CCCC[C@@H](NC(=O)OC(C)(C)C)[C@H](C#Cc1cccc(Br)c1)NCCC 2296219947 SXFFNFDVXVGLAI-VQTJNVASSA-N 437.422 5.252 30 10 IKEE CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)[C@@H](O)C#Cc1ccc(Br)cc1 2296276833 MHOKFKZMPYVJEE-UXHICEINSA-N 436.390 5.025 30 10 IKEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H](C)CCC[C@@H](C)NC(=O)OC(C)(C)C 2296288646 JFGPOUPWSQESJI-SQGPQFPESA-N 437.422 5.108 30 10 IKEE CC(=Cc1ccccc1)C=C1SC(=NN=Cc2ccccc2C)N(Cc2ccco2)C1=O 2314819009 PYRWDHQGFOLKPZ-UHFFFAOYSA-N 441.556 6.041 30 10 IKEE Cc1ccc(C)c(COc2cc(C)c3c(c2)OC(=Cc2ccc(Cl)cc2Cl)C3=O)c1 2321759881 CWIIBHQEXRYQHU-UHFFFAOYSA-N 439.338 7.114 30 10 IKEE Cc1cc(OCc2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O2 2321773103 PZHATUJMPSUMTK-UHFFFAOYSA-N 445.729 7.150 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O3)CN(CCCOC(C)C)CO2 2322024042 LHYRVUQYIOJZEM-UHFFFAOYSA-N 449.591 5.876 30 10 IKEE CCCCCCCCCCN1COc2ccc3c(c2C1)OC(=Cc1ccccc1OC)C3=O 2322130927 UEQVMZYPLHAPTC-UHFFFAOYSA-N 449.591 6.604 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2)Oc2c1ccc1c2CN(CCCCc2ccccc2)CO1 2322248798 JKIUFZKBFYCPBX-UHFFFAOYSA-N 445.946 6.131 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCc2ccccc2C)cc1 2322398412 RHUOXEFXYVXRFY-UHFFFAOYSA-N 448.990 7.475 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc(Br)cc4)c3C)C2=O)cc1 2322708465 DVBRZWMSYYDATC-UHFFFAOYSA-N 449.300 5.901 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(=O)CCc4ccc(C)cc4)ccc3C2=O)c1OC 2323078807 AHMMLGAZKCTEGR-UHFFFAOYSA-N 444.483 5.167 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1OCc1cccc(Cl)c1 2323149462 AJAARYKKRJONHD-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE Cc1cc(C)c(S(=O)(=O)NN=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C)c1 2323379364 OOQRNWVADNLGKA-UHFFFAOYSA-N 430.614 5.225 30 10 IKEE CC(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2F)C3=O)cc1 2323502184 RNNVZOUKYSSJFM-UHFFFAOYSA-N 428.459 6.184 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OCc1c(Cl)cccc1Cl 2323777631 NGCGOTWYRYSYKB-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OCc1c(F)cccc1Cl 2323792002 WSDZGVXPRCBJKP-UHFFFAOYSA-N 445.317 7.006 30 10 IKEE Cc1cc(OC(=O)c2ccc(OC(=O)C(C)C)cc2)cc2c1C(=O)C(=Cc1ccccc1)O2 2323933940 FCSCRPHSYQNLGW-UHFFFAOYSA-N 442.467 5.392 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(F)c2)cc(OC)c1OCc1cccc(C)c1 2324121701 RUCYEJJXBQLFQW-UHFFFAOYSA-N 446.518 6.355 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)c1ccc(F)cc1 2324183294 JQVDUQNCUGPQIF-UHFFFAOYSA-N 435.709 7.261 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OCC(=O)Nc1c(C)cccc1C 2324195048 VEGHEAWIALGHIK-UHFFFAOYSA-N 447.506 5.755 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OCCCCOc4ccccc4C)c3C)C2=O)cc1 2324599230 XFUMYTVFFAVVOG-UHFFFAOYSA-N 442.555 6.720 30 10 IKEE CCc1ccc(OCCCOc2ccc3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)cc1 2324654014 XWYBNVMIXAJKSM-UHFFFAOYSA-N 445.471 5.621 30 10 IKEE COc1ccc(Br)cc1C=Nn1c(C)nnc1SCc1cc(C)cc(C)c1 2324966920 AVJBWUJTMRXGKB-UHFFFAOYSA-N 445.386 5.149 30 10 IKEE Cc1ccccc1C=C1Oc2cc(O[C@H](C)C(=O)Nc3c(C)cccc3C)cc(C)c2C1=O 2325145640 RGAKFVWOFDVKMR-HXUWFJFHSA-N 441.527 5.942 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCc4ccccc4C#N)c3C)C2=O)cc1OC 2325354346 ANZWSHWWDQIPCD-UHFFFAOYSA-N 427.456 5.079 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccc(Cl)cc2)c1 2325471451 BSKYJZWRAHZZHH-UHFFFAOYSA-N 432.980 6.005 30 10 IKEE CCCCCOc1ccc(C=Nn2c(CC)nnc2SCc2ccccc2F)cc1 2325592546 UAQFWJIBNAHMHH-UHFFFAOYSA-N 426.561 5.723 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)[C@@H](C)c3ccccc3)c2)cc1OC 2325702940 ZYTQFZFINHILGL-SFHVURJKSA-N 446.499 5.318 30 10 IKEE CCN(CC)CCOc1cc(C)c2c(c1)OC(=Cc1ccc(Br)cc1)C2=O 2325703322 FBUFGSQBJXVTIX-UHFFFAOYSA-N 430.342 5.094 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCC(=O)Nc4cccc5ccccc45)cc(C)c3C2=O)c1 2325707256 HOVASCCFASOTDB-UHFFFAOYSA-N 449.506 6.090 30 10 IKEE O=C(Oc1cccc(C=CC(=O)c2ccccc2Cl)c1)c1ccc(Cl)c(Cl)c1 2325717584 RGBACFRCLAUDFW-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE COc1ccccc1C(=O)C=Cc1cccc(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 2325724594 YYXIWRVKDGPYAW-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccccc3OC)c2)c(OCC)c1 2325762850 QEGBEGBPPKEGQD-UHFFFAOYSA-N 446.499 5.608 30 10 IKEE CCSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1ccc(Cl)cc1 2325909019 KQLYOAZXFQTZFV-UHFFFAOYSA-N 441.771 5.812 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(OC)c(O)c1Cl 2326356856 KXEJQWGGSRVISS-UHFFFAOYSA-N 437.352 5.036 30 10 IKEE CCOc1ccccc1OCc1nnc(SCC)n1N=Cc1ccc(C(C)(C)C)cc1 2326823639 YHOLKRLVDNVBNN-UHFFFAOYSA-N 438.597 5.548 30 10 IKEE CCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccc(C(C)C)cc1 2326932923 ZIISWIBQKIIAEM-UHFFFAOYSA-N 436.669 6.545 30 10 IKEE CCCCOc1ccc(C=Nn2c(Cc3cccc4ccccc34)nnc2SCC)cc1 2327739352 YAIIOTVRPANKDK-UHFFFAOYSA-N 444.604 6.195 30 10 IKEE Clc1ccc(CCc2nnc(SCc3ccccc3)n2N=Cc2ccccc2)cc1 2328056644 LLTPKHJWUVYGRT-UHFFFAOYSA-N 432.980 5.891 30 10 IKEE Cc1cccc(CSc2nnc(COc3c(C)cccc3C)n2N=Cc2cccs2)c1 2328552313 WZVIJAZNYUESOD-UHFFFAOYSA-N 448.617 6.018 30 10 IKEE CCCSc1nnc(COc2c(C)cccc2C)n1N=Cc1c(Cl)cccc1Cl 2328559611 RZPXJOZBWXGXCA-UHFFFAOYSA-N 449.407 6.165 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccc(F)cc3)n2N=Cc2cccn2C)c1 2329842490 HNVAYACJDGNIJZ-UHFFFAOYSA-N 433.556 5.138 30 10 IKEE Cc1ccccc1C=Nn1c(COc2ccccc2)nnc1SCc1ccccc1Cl 2329919043 SKUOCJNOIFKAFV-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2F)n1N=Cc1cccc(O)c1 2330108812 XSWLMHFXOCRJDE-KRWDZBQOSA-N 432.524 5.449 30 10 IKEE Fc1cccc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccc(Cl)cc2)c1 2330283066 VLKOZFBJCTUZEP-UHFFFAOYSA-N 442.991 6.368 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccccc3)nnc2-c2cccs2)cc1OC 2330578329 DZYSKCAIVQOWSX-UHFFFAOYSA-N 436.562 5.198 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccccc3)n2N=Cc2ccc(C(=O)O)cc2)c1 2330645758 VKTUDMZIHMOKAJ-UHFFFAOYSA-N 428.517 5.126 30 10 IKEE COc1ccccc1C=Nn1c(CC(C)(C)C)nnc1SCc1ccccc1Cl 2330846581 OJYJHPCREUMSSQ-UHFFFAOYSA-N 428.989 5.703 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(O)cc1 2330862849 WNFLBUPUQNHLDG-UHFFFAOYSA-N 430.577 5.900 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccccc3Cl)cc2Cl)c1 2330920503 VXMHAKJKXGUBQI-UHFFFAOYSA-N 441.310 6.507 30 10 IKEE C(=Nn1c(SCCc2ccccc2)nnc1[C@@H]1CCCO1)c1cccc2ccccc12 2330970132 XUSUMKBSYBBVIZ-QHCPKHFHSA-N 428.561 5.500 30 10 IKEE Fc1cccc(C=Nn2c(SCc3cccc4ccccc34)nnc2[C@@H]2CCCO2)c1 2330977135 UDHAGTHYLVJNAJ-QFIPXVFZSA-N 432.524 5.596 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2[C@H]2CCCO2)cc1 2331001081 VQHMOLVBCKOLBT-OAQYLSRUSA-N 441.000 6.081 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)c2cccc3ccccc23)c(Cl)c1 2331059643 YJLICNWQGLNFCY-UHFFFAOYSA-N 442.898 6.617 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)CCCOc1ccc(C)cc1 2331184532 GUYPRCKSSISAMH-UHFFFAOYSA-N 430.500 5.664 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3)cc2OC)cc1 2331293358 AIORNIJOKKKEGK-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 2331350608 GCQLTCAVBWPRCE-UHFFFAOYSA-N 435.407 5.166 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)c3cccs3)c(Cl)c2)c1 2331385621 BEYGZTNFQCYEIA-UHFFFAOYSA-N 428.893 5.534 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCCc3ccccc3)nnc2C(C)(C)C)cc1 2331399544 VRLMASZSYJUUKA-UHFFFAOYSA-N 435.641 5.639 30 10 IKEE Cc1cccc(CSc2nnc(CC(C)C)n2N=Cc2cccc(Br)c2)c1 2331440074 XOVUOJUZNVWLTP-UHFFFAOYSA-N 443.414 5.722 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2cccnc2)cc1 2331633283 BATXZXFEXNZIKX-UHFFFAOYSA-N 428.271 5.512 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2C2CC2)cc1OCC 2331734184 SBKHWEVGEMIUBZ-UHFFFAOYSA-N 440.544 5.267 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CC(C)C)c(Cl)c2)c(OC)c1OC 2331885676 PYNGXRUZLHEUBV-UHFFFAOYSA-N 432.900 5.213 30 10 IKEE C[C@@H](CCC[C@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CCC(=O)C=C1C[C@H]3O)C(=O)O 2333314527 SATGKQGFUDXGAX-UVMOSJGRSA-N 430.629 5.632 30 10 IKEE Cc1cc(Br)c(Oc2ccc(Cl)cc2C#N)cc1NC(=O)OC(C)(C)C 2344219078 PPDUGOGLJCZCDQ-UHFFFAOYSA-N 437.721 6.422 30 10 IKEE CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N1 3098488 JDELGNMCBOORLD-JOCHJYFZSA-N 442.342 5.705 30 10 IKEE Cc1ccccc1[C@H]1C2=C(CCCC2=O)Nc2nc(SCc3ccccc3Cl)nn21 9856513 FRYCUHWHCCWHRC-NRFANRHFSA-N 436.968 5.554 30 10 IKEE C=C(C)COc1cccc2c1N[C@@H](c1ccc3c(c1)c1ccccc1n3CC)[C@@H]1CC=C[C@H]21 13642964 RXMVELVCNTVQSB-IXQRDTAUSA-N 434.583 7.596 30 10 IKEE CCCCCCCCCOC(=O)CCc1cc(Cl)ccc1C(=O)CCCNC(C)=O 14233583 FMMDYFHBIZWHQF-UHFFFAOYSA-N 438.008 5.665 30 10 IKEE CC(C)Oc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(OC(C)C)cc2)cc1 21224998 YKQGRJIYAIKREF-NZQKXSOJSA-N 433.548 5.265 30 10 IKEE COc1cccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(Oc3ccccc3)c2)c1 21240113 IAEFKCPXLRUXBZ-YKSBVNFPSA-N 439.511 5.492 30 10 IKEE CCc1ccccc1NC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1 21355956 VGVXVFRZFLVXMX-VWLOTQADSA-N 427.504 6.054 30 10 IKEE CC/C(=N/Nc1nc(C)nc2sc(-c3ccccc3)cc12)c1ccc(OC)c(OC)c1 33504744 XJHLFKIQFBQJLO-DIBXZPPDSA-N 432.549 5.910 30 10 IKEE Cc1c(Nc2c(C#N)cnc3sc(I)cc23)ccc2[nH]ccc12 35309813 WBTOBYCVRZKRBS-UHFFFAOYSA-N 430.274 5.306 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(O)c(OC)c2)S/C1=N/c1nc(-c2ccccc2)cs1 39865901 KYDVCOVOCUWOMB-DMDNQVQLSA-N 449.557 5.314 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccc(Cl)cc1 40095776 HANXNUMQKBIQGT-SPLOXXLWSA-N 425.912 5.042 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OCc4ccccc4)cc(C)c3C2=O)c2cc(OC)ccc21 41432908 WDBZFJCNNJMCAX-ZMFRSBBQSA-N 439.511 6.173 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O3)CN(Cc1ccccc1)CO2 41648277 WJYDRHBSCVBMEN-MYYYXRDXSA-N 439.555 6.261 30 10 IKEE Cc1ccccc1/C=N/c1cc2c3c(c1)[C@@H](c1ccccc1)CCN3CC[C@H]2c1ccccc1 59506179 ADUWLHJXDRIDLW-MRDBGVBGSA-N 442.606 7.623 30 10 IKEE Cc1cc(/C=N/c2ccccc2Br)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59679105 XANBYLILRNBMMA-FOKLQQMPSA-N 431.717 5.959 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccc3nc(SCCC)sc3c2)nnc1C1CC1 59911499 OJACXGOBHWIOLU-UHFFFAOYSA-N 445.639 5.184 30 10 IKEE CCCCCCCCCCCCOc1ccc(C(=N)N(CCC)CCC)c2ccccc12 95741684 JIHVRPVQHFTOTC-UHFFFAOYSA-N 438.700 8.587 30 10 IKEE C[C@@H](O[C@@H]1OCCN=C1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 97974054 KHOSCFXAHZBOCH-ZMZPIMSZSA-N 435.339 5.787 30 10 IKEE CCCCCCCCCCCCCC(=O)Nc1cccc(OCCOc2ccccc2)c1 100442248 MPNZLOOEBLTPCG-UHFFFAOYSA-N 439.640 7.784 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)S/C1=N/c1ccncc1Cl 101127120 QKBDMUXLUJLKHB-DZHGSHHNSA-N 440.868 5.137 30 10 IKEE CCCOc1cc(/C=N\Nc2nc(-c3ccc(OC)cc3OC)cs2)ccc1OC 169943111 RDHGFSOMEAAVBV-QRVIBDJDSA-N 427.526 5.071 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2cc(C)ccc2C)=C(O)C(=O)N1c1ccccc1C 169946126 HSYPYRGEMMCDNJ-XMMPIXPASA-N 427.500 5.403 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccc(O)cc2)c(C)c1 169963107 FRPANPMIWLVYGN-SANMLTNESA-N 449.506 5.945 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2cccc(C)c2)cc1 169967548 QVPLXVCKEPZKTI-AREMUKBSSA-N 439.555 6.464 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccccn2)cc1Cl 169996423 YMGSAQGNEFSTME-QFIPXVFZSA-N 444.874 5.573 30 10 IKEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccccc2)cc1 170055658 FCOKCRVSHNKHKH-DEOSSOPVSA-N 445.490 5.311 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2ccc(F)cc2)cc1C 170062601 FRNNODHTZSVRIC-XMMPIXPASA-N 443.474 5.160 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(C(C)C)cc2)cc1 170066504 CIXUOGJTMFLVON-UPVQGACJSA-N 433.548 5.130 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccccc2F)c1 170070483 VLTPKHXCPFOQDT-NRFANRHFSA-N 437.854 5.271 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccccc2C)cc1 170088658 NLRGKRGFSAWAIX-DEOSSOPVSA-N 439.467 5.533 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2sccc2C)c1 170107013 HGNVVERXPNKMKG-IBGZPJMESA-N 439.920 5.501 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1ccc(O)cc1 170131866 CXEQHSSLFIMWOK-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@H]1c1cccs1 170165551 GVYSNLKGNDUJAN-JOCHJYFZSA-N 441.593 5.957 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccn2)cc1 170169161 LJKDAPZVASTLKB-HSZRJFAPSA-N 446.478 5.038 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccccn2)cc1C 170172051 QUZIHBDCGJXYLT-RUZDIDTESA-N 434.495 5.635 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2cccnc2)c1 170187521 VSTHSGKUYIDPKE-VWLOTQADSA-N 434.495 5.635 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCC)cc1 170215733 RFYCJAPQXPAGMA-QHCPKHFHSA-N 437.536 5.251 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1cccc2ccccc12 170220719 FJHUGMHDBYIPSH-RUZDIDTESA-N 443.543 6.005 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc(O)c2)cc1 170261894 LTMYTKCKHIIJNP-QHCPKHFHSA-N 435.520 5.090 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2C)cc1C 170275524 RFIRZTYROOOZLY-RUZDIDTESA-N 447.575 6.003 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2sccc2C)c(OC)c1 170315155 AGUFAILVAGIGMP-NRFANRHFSA-N 449.528 5.165 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(OCC(C)C)cc2)cc1 170350397 UDMYYHVMOZKTBW-HSZRJFAPSA-N 431.488 5.406 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Nc3ccccc3)cc2)[C@@H]1c1ccco1)c1ccco1 170400611 RGQGXCVOYUHSGC-JOCHJYFZSA-N 426.428 5.399 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2ccc(C(C)C)cc2)cc1 170452280 ZOPYUOXIHXKUHE-XMMPIXPASA-N 434.580 5.781 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(CC(=O)OC(C)C)cc2)c1 170459816 BAVWUGQRHYXDIP-HSZRJFAPSA-N 449.547 5.004 30 10 IKEE CC(=O)c1c(C)oc(NC(=O)/C(=C/c2ccc(OC(C)C)cc2)c2ccccc2)c1C#N 170528259 XXBLHFRGOOBZQH-HYARGMPZSA-N 428.488 5.629 30 10 IKEE Brc1cccc(-c2csc(=Nc3ccccc3)n2N=Cc2ccccn2)c1 254303735 QGGVQMPHICHFDG-UHFFFAOYSA-N 435.350 5.489 30 10 IKEE O=[N+]([O-])c1ccc(C=Nc2cccc3c(N=Cc4ccc([N+](=O)[O-])s4)cccc23)s1 254594351 CCBCZSOMLDATOT-UHFFFAOYSA-N 436.474 6.280 30 10 IKEE Cc1ccc(N=C2S/C(=C/c3cccc([N+](=O)[O-])c3)C(=O)N2c2ccc(C)cc2)cc1 254703374 CJVRVNXVLRVBKZ-LAJNNLEESA-N 429.501 6.020 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2cccc3ccccc23)[C@@H]1c1c[nH]c2ccccc12 526611861 YQCCHBRWTPJQEW-MHZLTWQESA-N 441.490 6.250 30 10 IKEE CCCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccc(Cl)cc2)cc1OC 526807329 VVMKGHHHFIHZAO-OYKKKHCWSA-N 444.988 5.466 30 10 IKEE Cc1ccccc1/C=N\n1c(CCc2ccccc2)nnc1SCc1cccc(F)c1 526826242 XIDSDKGCXYRIPJ-PKAZHMFMSA-N 430.552 5.685 30 10 IKEE COc1ccc(Cl)cc1S(=O)(=O)N(CCC1=CCCCC1)Cc1ccc(C#N)cc1 586155259 OKPNHIPADRYYQR-UHFFFAOYSA-N 444.984 5.302 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(CCCC#N)c2ccc(C(C)=O)cc2)cc1 586231863 WVBNOMFHMSRGMD-UHFFFAOYSA-N 426.582 5.511 30 10 IKEE N#Cc1ccccc1NC(=O)Nc1cccc(C(=O)NC(c2ccccc2)c2ccccc2)c1 586698540 DKMXFTPLNIWBCT-UHFFFAOYSA-N 446.510 5.722 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCCc2ccccc21 698404480 FWCKKXGYFRPSAR-JOCHJYFZSA-N 427.342 5.946 30 10 IKEE COc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2C)c(Br)c1 698480005 YLTJITNKOJEOLZ-LJQANCHMSA-N 431.330 5.773 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1ccc(C(F)F)cc1 698481458 HHEVSVCLKUZNMC-KRWDZBQOSA-N 437.284 6.393 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@@H](C#N)c1ccc(Br)s1 698901628 KDTNFRVHHXGVBZ-ZDUSSCGKSA-N 427.751 6.170 30 10 IKEE Cc1sc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)cc1Br 698918506 DHQZCFPWDDLIJQ-OAHLLOKOSA-N 441.778 6.479 30 10 IKEE CC[C@@H](/C=C/[C@H](C)[C@@H]1CC[C@@H]2[C@H]3C[C@H](O)C4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C)C(C)C 1082880841 FFKIQLXJMQUBQZ-KXUNRJCMSA-N 426.685 6.980 30 10 IKEE C=CCCC[C@@H](NC(=O)c1cccc(-c2cnc3nc(O)n(C)c3c2)c1)c1ccccc1 1455290770 PSTSSFCPVLFGQY-JOCHJYFZSA-N 426.520 5.168 30 10 IKEE CN(/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=S)Nc1ccc(Cl)cc1 1615217127 XBMKPKMRRGBBGR-AFUMVMLFSA-N 432.033 6.303 30 10 IKEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CCCC(C)(C)C 1705481478 HFMXHYJNPJEBEW-OAHLLOKOSA-N 433.394 5.000 30 10 IKEE O=C(O)c1ccc(N=C2S[C@@H](Cc3ccccc3Cl)C(=O)N2Cc2ccco2)cc1 1772728194 UKZNFRGFQUEJDZ-IBGZPJMESA-N 440.908 5.006 30 10 IKEE CCN1C(=O)/C(=C\c2cn(C)c3ccccc23)SC1=Nc1nc(-c2ccccc2)cs1 1772738464 PQPULIOAFATMMG-TVWUMHKZSA-N 444.585 5.926 30 10 IKEE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1C(=NNc1ccc(F)cc1)CCC2 1772748897 HGRQQFBTSUHWNW-OAHLLOKOSA-N 449.501 6.000 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 1862433119 VIHAWOHAOIEBKP-GCJKJVERSA-N 439.939 5.221 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(Cl)c(Cl)c1 1862443665 NWSJHAZOWSHBCE-BBATYDOGSA-N 438.738 6.024 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(Cl)cc1)c1c(F)cc(F)cc1F 1862458707 TYJQAAJPDUGSKF-HXUWFJFHSA-N 449.856 5.668 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(Cl)cc1Cl 1862467029 GJNLGUVWFBEKKB-QGZVFWFLSA-N 444.236 5.397 30 10 IKEE COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCCCCC2)ccc1O 1862480944 SHNXKZSJTHSGAK-DEOSSOPVSA-N 449.547 5.400 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccccc2Cl)c1 1862491699 ZABCLUVTNTUPAZ-UUOWRZLLSA-N 445.946 6.296 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccccc2)c1 1862506828 BEIFCKLEQQNTLY-XMMPIXPASA-N 429.491 5.529 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCC(C)C)cc1 1862653672 GNNMVAPETJGZEP-RUZDIDTESA-N 443.543 5.863 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2Cl)cc1 1862661416 PXGGLRQLTKMWLG-XMMPIXPASA-N 445.946 6.242 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 1862667680 IDGMPNZJOKNKQC-XCLFUZPHSA-N 448.346 5.076 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc(C)c1 1862687870 QRYRKSPDXGEPCD-ZJSXRUAMSA-N 435.564 5.941 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1cccc(O)c1 1862699533 VCNRJXUOZDSYNE-CVDCTZTESA-N 437.536 5.338 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1 1862723451 ABYFSXYVBLOKDB-VWLOTQADSA-N 441.502 6.014 30 10 IKEE CCCCc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(C)c(C)c3)C2=O)cc1 1862872894 WBWDCHUMMGNATO-UHFFFAOYSA-N 449.554 5.914 30 10 IKEE CCCCc1ccc(NC2=C(c3cc(C)ccc3C)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1863029183 AKPGMXSUKRRVSY-UHFFFAOYSA-N 449.554 5.914 30 10 IKEE C=CCNC1=C(c2ccc(Cl)c(Cl)c2)C(=O)N(CCCCCCCCCC)C1=O 1863633687 YUTJWSSECIBENW-UHFFFAOYSA-N 437.411 5.990 30 10 IKEE COc1ccc(N(C)c2cc(Nc3ccccc3C#N)nc(-c3ccccc3)n2)cc1OC 1868373205 QNBLOKILEGRGLB-UHFFFAOYSA-N 437.503 5.544 30 10 IKEE CCCCCCCCn1cc(OCCCOc2ccc(C)cc2)c(=O)cc1CSCC 1870220275 SXVIBJZYVAPNJL-UHFFFAOYSA-N 445.669 6.618 30 10 IKEE C=CCOc1cn(Cc2ccccc2F)c(CSc2nc3ccccc3s2)cc1=O 1870245723 BRGJRUYCERGNDC-UHFFFAOYSA-N 438.549 5.503 30 10 IKEE C=CCn1cc(OCC(=O)OC2CCCCC2)c(=O)cc1CSc1ccc(Cl)cc1 1870306033 REZJJDBJSGHVLH-UHFFFAOYSA-N 447.984 5.235 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCCCCC)c(=O)cc1CN1CCCCC1 1870420712 KANBOTOYWQSZHY-UHFFFAOYSA-N 448.648 5.307 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCC2CCCCC2)cn1CCc1ccc(F)cc1 1870482942 HILSNPRYUSHSLF-UHFFFAOYSA-N 438.587 5.363 30 10 IKEE CCCCCCCOc1cn(CCCCC)c(CNc2ccc(C(C)(C)C)cc2)cc1=O 1870837584 NHGBLRWDHGKFHS-UHFFFAOYSA-N 440.672 7.297 30 10 IKEE CCCCCCCOc1cn(CCCCC)c(CNc2cc(OC)cc(OC)c2)cc1=O 1870837697 SZSXLWRDFBYMLE-UHFFFAOYSA-N 444.616 6.017 30 10 IKEE C=CCn1cc(OCCOc2ccc(OC)cc2)c(=O)cc1CNc1ccc(C(C)C)cc1 1870884723 NSHPDMWRVDPUKM-UHFFFAOYSA-N 448.563 5.236 30 10 IKEE CCCCCCCCN1COc2ccc3c(c2C1)O/C(=C\c1cccc(Cl)c1)C3=O 1871349399 RVXHLYHXQXKBNX-HAHDFKILSA-N 425.956 6.469 30 10 IKEE CC[C@H](C)N1COc2cc(C)c3c(c2C1)O/C(=C\c1cccc(Br)c1)C3=O 1871351979 KHVDJQJLKPPIQK-VAODSVERSA-N 428.326 5.324 30 10 IKEE Cc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1[N+](=O)[O-] 1871375061 QNAZWGNITSLXRG-FBHDLOMBSA-N 449.846 5.700 30 10 IKEE COC(=O)c1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1 1871381795 DEILDKYHDVCADP-DHLMYGRGSA-N 440.451 5.017 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OC(=O)c3ccc(OCC(C)C)cc3)ccc2C1=O 1871382742 CUDXMDDHSYDTIM-XKZIYDEJSA-N 434.513 5.927 30 10 IKEE Cc1c(OC(=O)C(C)(C)Oc2ccc(Cl)cc2)ccc2c1O/C(=C\c1ccncc1)C2=O 1871384947 RGWCVKZIOSWNKA-STZFKDTASA-N 449.890 5.423 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)c1 1871386937 ABXQPLWIFUNDSN-NRSKTENOSA-N 426.468 5.785 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc(O[C@H](C)C(=O)Nc4ccccc4)c3C)C2=O)cc1 1871407375 XVKPHEUCNSDCSJ-GJQHCVRFSA-N 443.499 5.416 30 10 IKEE Cc1cc(C)c(COc2cc(C)c3c(c2)O/C(=C\c2c(F)cccc2Cl)C3=O)cc1C 1871423733 YMRGXAIXLBSCMN-MSXFZWOLSA-N 436.910 6.908 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccccc1F)C2=O 1871424661 RSJZRLJHORNPCZ-UCQKPKSFSA-N 445.490 5.639 30 10 IKEE C=C(C)CN([C@@H](CC)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)c(C)c1 1872434234 PRESSXVFEPKOLE-QFIPXVFZSA-N 449.016 5.249 30 10 IKEE COc1ccccc1CC(=O)[C@@H](C#N)c1nc(-c2cc(C)c(Cl)cc2OC)cs1 1872784201 PTBIRNDYGJHPFN-MRXNPFEDSA-N 426.925 5.208 30 10 IKEE Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)ccc1[N+](=O)[O-] 1872787533 LIYZCGBDQICVFH-CQSZACIVSA-N 432.288 5.824 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccccc3Cl)n2)c2ccccc12 1872787750 QQYIWYPOYWWPQP-IBGZPJMESA-N 432.932 6.044 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(Cl)ccc3Cl)n2)cc1Cl 1872789575 NIKLPDZEWPVQLF-ZDUSSCGKSA-N 437.735 6.269 30 10 IKEE C=CCc1ccccc1OCc1cccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 1872846862 WPBWTXGYXUOOHD-UHFFFAOYSA-N 446.978 5.610 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccccc3OCCCC)c(=O)oc2c1 1873953875 NZGYTCLZTQRIDF-UHFFFAOYSA-N 435.520 5.416 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1/N=C/c1cccnc1 1874194898 MMYBRINPTXFTSX-NLRVBDNBSA-N 435.597 5.143 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1ccccc1Cl 1874224129 UBLRFJLEKJHVTN-KOEQRZSOSA-N 441.000 5.666 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccncc1 1874336898 LXYJNSNQQIFXKQ-CVKSISIWSA-N 433.968 5.400 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(F)cc3)n2/N=C/c2ccc(F)cc2)cc1 1874379565 ZQCWYWSWLMHPPZ-JFLMPSFJSA-N 434.515 5.630 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2/N=C/c2cccs2)cc1 1874387801 GDQKUYYNKXQYIZ-OEAKJJBVSA-N 449.561 5.322 30 10 IKEE Cc1ccccc1CSc1nnc(CC2CCCCC2)n1/N=C/c1cccc(Cl)c1 1874406443 OTSVASFWGAHDJZ-WGOQTCKBSA-N 439.028 6.537 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(SCc2cccc(F)c2)nnc1C1CCCC1 1874454265 INZUYZLNGWMYAW-CVKSISIWSA-N 438.572 6.037 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2C(F)(F)F)cc1 1874461537 RYEDMIXEIKIRIQ-MFKUBSTISA-N 434.487 5.303 30 10 IKEE Cc1cccc(CSc2nnc(CC(C)C)n2/N=C/c2ccc(Cl)cc2Cl)c1 1874489326 LUBSJYFUGYMCIS-WYMPLXKRSA-N 433.408 6.266 30 10 IKEE CCCc1nnc(SCc2ccccc2C)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874505085 PVYLCPXTLPMKCI-WSDLNYQXSA-N 429.933 5.275 30 10 IKEE COCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1cccc(F)c1 1874506247 UFBQGDMPTFVTDQ-LSFURLLWSA-N 425.316 5.045 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2ccc([N+](=O)[O-])cc2)nnc1C(C)C 1874511843 CXEZUVWAGZXREO-OEAKJJBVSA-N 439.541 5.273 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCc3ccc(C)cc3)ccc3ccccc23)cc1OC 1874573150 YENNTZXDESBVKF-CCEZHUSRSA-N 438.523 6.641 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccccc2Cl)cc1 1874577907 LUCYXTUSUZQISU-UKTHLTGXSA-N 427.327 6.867 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1C 1874593331 DTJOFMYUSOWTKD-UXBLZVDNSA-N 427.327 6.786 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OCC(=O)Nc1ccc(C)cc1C 1874595451 LYHRPNQJKVQMLF-LFYBBSHMSA-N 449.934 5.879 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OCC(=O)Nc1cccc(C)c1C 1874596034 LCJXWCIIFMSVDS-ACCUITESSA-N 443.543 5.842 30 10 IKEE COc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc4ccccc4c3)ccc2OC)cc1 1874692654 RBJODKBMSLZGQW-VIZOYTHASA-N 438.479 5.972 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OC(=O)c1ccccc1[N+](=O)[O-] 1874704021 SUHNVQYQVBROQJ-YRNVUSSQSA-N 435.407 5.166 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OC(=O)[C@H](C)c1ccccc1 1874708250 UEJHWRWDNLGNTN-NXZBIGBUSA-N 428.528 6.424 30 10 IKEE COc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)c2)cc1OC 1874710741 IYUMAEYZRWILAI-ZRDIBKRKSA-N 444.527 6.053 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](C)CSc2nnc(CCc3ccccc3Cl)n21 1875054441 DTPKRFHDSNNJGF-KRWDZBQOSA-N 435.037 5.426 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2Cl)cc(OC)c1OC(=O)c1ccccn1 1875110616 SXVYCGRYOIXTFI-OUKQBFOZSA-N 433.891 5.587 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 1875113735 VNNVIMQUUCJWBT-VZUCSPMQSA-N 425.799 5.503 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)CCCOc1ccccc1 1875119768 LQIKIAOWUZCCMZ-JQIJEIRASA-N 446.499 5.365 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cc(C)ccc3C)c([N+](=O)[O-])c2)cc1 1875135751 GHXAQFKBHCZVGP-XYOKQWHBSA-N 429.472 5.564 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc(OC)c1OC(C)=O 1875164280 AWJFOYPKDHLFAX-LFIBNONCSA-N 428.484 6.037 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N(CC)CCO)n2CCCC 1875211415 DHZDZBJMKUFVRE-UHFFFAOYSA-N 445.652 5.238 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)[C@H]2CCC[C@H]21 1926541052 FEOSGYPCLRAKGY-GLDPYIMESA-N 427.545 5.110 30 10 IKEE COc1cccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(C)cc2)c1Br 1927306283 RQZRXWQOWNHGRW-KRWDZBQOSA-N 431.330 5.773 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 1943914680 CEXKEDOSUVTQLW-NTKDMRAZSA-N 435.609 5.676 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@@]1(C#N)CC(C)(C)[C@@H]1OCc1ccccc1 1950403685 SEFPVPQMUPAEEV-SQJMNOBHSA-N 440.971 6.359 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]12CC[C@@H](C[C@H]1NC(=O)OC(C)(C)C)C2 1998056636 KLSHRFZDJXQCER-NZCWTCFWSA-N 428.617 5.211 30 10 IKEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@]1(C#N)CCC(F)(F)C[C@H]1OCc1ccccc1 1998814219 LQCHEYOVHYBBTF-APWZRJJASA-N 448.432 5.453 30 10 IKEE C=CCC[C@H](C)[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCC 2040533901 OBLBAIAADHPNHP-LADGPHEKSA-N 443.676 5.516 30 10 IKEE N#Cc1c(NC(=O)C=Cc2ccccc2)n(Cc2ccccc2)c2nc3ccccc3nc12 2053509054 NAEICXRISLRCSX-UHFFFAOYSA-N 429.483 5.156 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCCC)c2cscc2Br)C1 2062981483 DVBNOIFRFZTIHI-MRXNPFEDSA-N 429.424 5.412 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Br)ccc1Cl)NCCC 2063091046 YOCMPSYVDIPEAU-SJORKVTESA-N 431.802 5.093 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CN(C(=O)OC(C)(C)C)[C@H]1C(C)(C)C 2076161745 UTXRTEZOXJHPJD-UQBPGWFLSA-N 443.588 5.664 30 10 IKEE Cc1cc(Br)cc(Cn2nc(-c3ccccc3)c(C#N)c2Br)c1 2080355913 IBEAJIJFOJJVFK-UHFFFAOYSA-N 431.131 5.304 30 10 IKEE Fc1ccc(-c2c(C(F)(F)F)nn3c(Cl)c4c(nc23)CSC4)nc1C(F)(F)F 2081322558 QTFYBIZQCQHVFO-UHFFFAOYSA-N 442.747 5.368 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)NCCC 2084688558 CIQKTOHPQKCMSK-VJTSUQJLSA-N 444.660 5.991 30 10 IKEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN(Cc1ccccc1)C1CCCCC1 2095913545 WMFICDUQEFJNAM-UHFFFAOYSA-N 435.417 5.329 30 10 IKEE C=CCN(CC[C@H](NCCC)c1ccc(Br)c(Cl)c1)C(=O)OC(C)(C)C 2103287911 RFSUKBFZGMFLPY-SFHVURJKSA-N 445.829 5.956 30 10 IKEE C=CCCCCCC[C@@H](NC)c1cc(I)ccc1Br 2141907870 IWRJYLCNUNSGCZ-MRXNPFEDSA-N 436.175 5.841 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](Nc2cc(Br)ccc2C#N)CC12CCCCC2 2155304823 HODDBJYAQRYMHS-QGZVFWFLSA-N 434.378 5.445 30 10 IKEE CC(C)(C)OC(=O)N1CCCC12CCC(Nc1ccc(C#N)c(Br)c1)CC2 2167913283 FCCPLZUPUUWOOM-UHFFFAOYSA-N 434.378 5.445 30 10 IKEE Cc1ccc(C#N)cc1NC(=O)c1ccc(Br)c(NC(=O)OC(C)(C)C)c1 2181055007 DHSLPGJIJCGFNN-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCCC)c2cc(C)cc(Br)c2)C1 2190668091 FTPBSZBXVIOIDU-IBGZPJMESA-N 437.422 5.659 30 10 IKEE C=CCC1([C@H](NCCC)c2ccc(Br)c(F)c2)CN(C(=O)OC(C)(C)C)C1 2198205580 UGWQDZIDCRYILJ-GOSISDBHSA-N 441.385 5.442 30 10 IKEE C=CCC[C@@H](C)[C@@H](NC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2229177014 GMTVKXBJOOPIGI-AYOQOUSVSA-N 425.411 5.075 30 10 IKEE O=C(OCc1ccccc1)N(CC(F)(F)F)[C@H](CO)c1ccc(F)c(C(F)(F)F)c1 2235303480 STKWFSPTCBXHHR-MRXNPFEDSA-N 439.327 5.079 30 10 IKEE COc1cc(C(=O)C#Cc2ccccc2Br)ccc1NC(=O)OC(C)(C)C 2235735274 YPRKSSHTWJJCMH-UHFFFAOYSA-N 430.298 5.039 30 10 IKEE CCC[C@H](CCNC(=O)OC(C)(C)C)CC[C@H](N)C#Cc1ccccc1Br 2235746059 HQSCREFGISSSGJ-HKUYNNGSSA-N 437.422 5.239 30 10 IKEE C#C[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2243925463 WHVCFNRTZIYFLH-IBVKSMDESA-N 446.591 5.104 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)CC1 2250520527 UBDMYNAFGAAWLF-XMMPIXPASA-N 429.561 5.502 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)c1ccccc1NC(=O)OC(C)(C)C 2262200788 VHWRCYMQLIEDLJ-HSZRJFAPSA-N 441.524 5.339 30 10 IKEE O[C@@H](C#Cc1nccs1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2300734391 XMPKRWFLRFOMLN-QHCPKHFHSA-N 427.525 5.386 30 10 IKEE Cc1cc(OCc2ccccc2F)cc2c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O2 2321796482 PRSZJBDFEHHEBN-UHFFFAOYSA-N 429.274 6.636 30 10 IKEE Cc1cc(C)cc(OCCN2COc3ccc4c(c3C2)OC(=Cc2ccc(F)cc2)C4=O)c1 2322193151 MELYGHWADMEPQJ-UHFFFAOYSA-N 445.490 5.290 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1cccs1)C3=O)CN(CCc1c[nH]c3ccccc13)CO2 2322284111 JDUBCBWITHAUEL-UHFFFAOYSA-N 442.540 5.549 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2c(F)cccc2Cl)cc1 2322457268 HJMDMCWFESFTKG-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1 2322552891 RKFSZXCSAIQKQZ-UHFFFAOYSA-N 427.327 6.867 30 10 IKEE COC(=O)COc1ccc(Br)cc1C=CC(=O)c1cccc2ccccc12 2322720523 AUIMGLHNZCKHPO-UHFFFAOYSA-N 425.278 5.050 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2)c1C 2322842746 ZYEDICRVIMLGOF-UHFFFAOYSA-N 439.382 7.702 30 10 IKEE CCOc1c(OC)ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)c1Br 2323044093 OREOEYWVKYHCRF-UHFFFAOYSA-N 437.333 6.420 30 10 IKEE Cc1ccc(CCC(=O)Oc2ccc3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)cc1 2323078745 JZKJPAFLYWWBTB-UHFFFAOYSA-N 427.500 5.215 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Br)c2)cc1OCCc1ccccc1 2323097763 MJBIACWCYMHNNR-UHFFFAOYSA-N 437.333 5.975 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 2323423112 HDJRDENWNUJMJY-UHFFFAOYSA-N 447.918 6.602 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3cccc(F)c3)c([N+](=O)[O-])c2)cc1OC 2323444427 UJSIDHJXZBREBZ-UHFFFAOYSA-N 437.423 5.226 30 10 IKEE CCCOc1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccnc2)C3=O)cc1 2323460412 HSPLNGNVXFLWNB-UHFFFAOYSA-N 441.483 5.414 30 10 IKEE CCOc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C)cc2)C3=O)cc1 2323511375 SXYIAZOSVRLRDF-UHFFFAOYSA-N 426.468 5.629 30 10 IKEE CCCCC1CCC(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2F)C3=O)CC1 2323652273 BFWYZLZUXBZOTL-UHFFFAOYSA-N 436.523 6.652 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1Cl 2324608330 PTYYORMCJFDELJ-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1ccccc1)O2 2324610000 SVMRXXVPWWHLRM-INIZCTEOSA-N 433.891 5.671 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OCc3ccccc3C)c([N+](=O)[O-])c2)cc1C 2324637654 ZMFYOKOZWGOMBO-UHFFFAOYSA-N 431.488 6.004 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4c(C)cccc4C(C)C)c3C)C2=O)o1 2324990218 KJOXSTVUZJLYHG-UHFFFAOYSA-N 445.515 5.962 30 10 IKEE Cc1cc(OCCC(=O)OCCC(C)C)cc2c1C(=O)C(=Cc1ccc(N(C)C)cc1)O2 2325104190 YGFNLSKJARFLFI-UHFFFAOYSA-N 437.536 5.035 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1cccc(OC)c1OC 2325566711 UQCYGWMZMCPWEN-UHFFFAOYSA-N 430.961 5.076 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(F)c(Cl)c4)ccc3C2=O)cc1 2325592786 HTEPCXIJQLHHGH-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccco2)C3=O)cc1 2325616498 DHGIWKSIXHDQPR-MRXNPFEDSA-N 431.488 5.735 30 10 IKEE CCCCOc1ccc(C=Nn2cnnc2SCc2ccc(Cl)c(Cl)c2)cc1 2325668973 BZOVYZUGCDBYOR-UHFFFAOYSA-N 435.380 5.938 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(Cl)cc3Cl)c2)cc1 2325709062 SSDMUETXFPWBPI-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE COc1ccc(OCCCC(=O)Oc2cccc(C=CC(=O)c3ccc(OC)cc3)c2)cc1 2325719373 OLYJVJJEKKTSNQ-UHFFFAOYSA-N 446.499 5.365 30 10 IKEE CCc1ccccc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc(OC)cc1)C2=O 2325737296 YYODOIMZMQQVJZ-UHFFFAOYSA-N 443.499 5.200 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccc(Cl)cc2)C3=O)c1 2325740930 IWLREKBBIDVZKJ-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(F)cc3F)c2)c2ccccc12 2325778108 YMVRBCDMULOYOB-UHFFFAOYSA-N 444.433 6.242 30 10 IKEE C=CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccc(CC)cc1 2326136767 ISIHRDLIBGSDEB-UHFFFAOYSA-N 441.000 5.850 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1c(C)n(C)c2ccccc12 2326252250 DXXSOUJVPYKOED-UHFFFAOYSA-N 435.572 5.734 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2C)n1N=Cc1ccc(N(C)C)cc1 2327117931 AFLXQCKSKHAUBD-UHFFFAOYSA-N 437.613 5.048 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccccc3Cl)n2N=Cc2ccccn2)c1 2327622705 UZBVWJWQDGWYSA-UHFFFAOYSA-N 449.967 5.388 30 10 IKEE Cc1cccc(OCc2nnc(SCc3ccccc3)n2N=Cc2ccccc2)c1C 2328846938 JNLZJIKFMHYDNI-UHFFFAOYSA-N 428.561 5.648 30 10 IKEE C=CCSc1nnc(COc2ccc(C)cc2C)n1N=Cc1ccccc1OCCC 2328903649 AFWYIQBFZRSESP-UHFFFAOYSA-N 436.581 5.423 30 10 IKEE Cc1ccc(CSc2nnc(CCOc3ccccc3)n2N=Cc2cccc(O)c2)cc1 2329153698 VIEHPEGFEQPCAN-UHFFFAOYSA-N 444.560 5.088 30 10 IKEE O=[N+]([O-])c1ccccc1C=Nn1c(Cc2ccccc2F)nnc1SCc1ccccc1 2329741247 NVXZWRKVCMYIAN-UHFFFAOYSA-N 447.495 5.091 30 10 IKEE Fc1ccc(CSc2nnc(CC3CCCCC3)n2N=Cc2cccc(Cl)c2)cc1 2330236245 BOYJESZQYRQOML-UHFFFAOYSA-N 442.991 6.368 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(CC3CCCCC3)n2N=Cc2cccs2)cc1 2330251756 RDIGMQZUWXDPES-UHFFFAOYSA-N 441.582 5.545 30 10 IKEE Clc1ccc(CSc2nnc(CC3CCCCC3)n2N=Cc2ccncc2)cc1 2330283015 PBFCKOZHZKIKAK-UHFFFAOYSA-N 425.989 5.624 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)ccc1OC(=O)CSc1ccccc1 2330979975 WDKHBHLKJALDEA-UHFFFAOYSA-N 448.540 5.688 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Br)c2)ccc1OC(=O)c1ccco1 2331009133 OBTZBLFSGBCEDJ-UHFFFAOYSA-N 427.250 5.166 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)CCc1ccccc1C 2331165481 PKXCLCNMSQGKTA-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE CCCCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccccc2)cc1OCC 2331182738 HAHZDLBKXONOMJ-UHFFFAOYSA-N 431.326 5.840 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)cc2)c(C)c1 2331216247 IKJFYROXTIQZKT-BJKOFHAPSA-N 430.931 6.562 30 10 IKEE Oc1ccccc1C=Nn1c(SCc2c(F)cccc2Cl)nnc1-c1ccco1 2331235124 SAYAXUKJODBNKI-UHFFFAOYSA-N 428.876 5.211 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(CC(C)C)n2N=Cc2sccc2C)cc1C 2331430625 OAALAWJDQXZUGX-UHFFFAOYSA-N 441.626 5.076 30 10 IKEE COc1cccc(OCC(=O)Oc2ccc(C=CC(=O)c3cccc4ccccc34)cc2)c1 2331470773 IZIWROYJNXUTCG-UHFFFAOYSA-N 438.479 5.729 30 10 IKEE COCCC(=O)Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1Br 2331473109 GBXYMOZIVBTEAP-UHFFFAOYSA-N 439.305 5.440 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(F)cc2)cc1OCC 2331532229 PKUUNAIKXIYBOZ-UHFFFAOYSA-N 432.919 6.650 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(N(C)C)cc1 2331535509 RKLBUXUYDFIIND-UHFFFAOYSA-N 433.479 5.406 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2sccc2C)c(C)c1 2331545266 PPKNAZAVDRTXQH-UHFFFAOYSA-N 439.610 5.145 30 10 IKEE C=C(C)CSc1nnc(C(C)C)n1N=Cc1ccc(OCCCCC)c(OCC)c1 2331698019 IXMNSKUYACHNLT-UHFFFAOYSA-N 430.618 5.920 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)Cc1ccccc1F 2331708797 ZVUXCQKJSILRAY-UHFFFAOYSA-N 432.491 5.885 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2cc(Cl)ccc2OC)cc1[N+](=O)[O-] 2331877064 SAUJHZNPJJKLFV-UHFFFAOYSA-N 445.899 6.029 30 10 IKEE CC(C)c1ccc(C=CC(=O)Nc2c(C#N)nnn2-c2cc(C(C)C)cc(C(C)C)c2)cc1 2332187545 QUGQJLISPBUECE-UHFFFAOYSA-N 441.579 6.161 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1C(C)(C)C(=O)C#Cc1ccccc1Br 2363486784 HEVHZBLEYAFWFR-GOSISDBHSA-N 434.374 5.186 30 10 IKEE Cc1cc(NCc2ccc(I)c(Br)c2)cc(C)c1C#N 2377335382 RSFQNMFDEMYTHP-UHFFFAOYSA-N 441.110 5.154 30 10 IKEE CCCCCCCOc1ccc(C2=N/C(=C/c3ccc(Cl)cc3Cl)C(=O)O2)cc1 2025367 IENAOGUKRFUZDR-KGENOOAVSA-N 432.347 6.687 30 10 IKEE Cc1cccc(N/N=C(C(=O)c2ccccc2)/C(O)=N/c2nc(-c3ccccc3)cs2)c1 2075461 UGZXSFLNWPFLLE-QUPMIFSKSA-N 440.528 6.058 30 10 IKEE C=CCSC1=N/C(=C/c2cc(Cl)c(OCc3ccccc3)c(OCC)c2)C(=O)S1 3002235 WGLPHRSAFXBFEY-LDADJPATSA-N 445.993 6.207 30 10 IKEE C=CCNC(=O)c1cccc2c1N[C@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CC=C[C@H]21 14469925 AOGSDGIGTFTVIZ-CLCZQPDDSA-N 436.555 6.008 30 10 IKEE CCCCN(CCCC)C[C@@H](O)Cn1cc(/C=C/C(=O)c2ccc(C)cc2)c2ccccc21 20439295 HUVFCCVAOSDMDI-ZMNABIIRSA-N 446.635 6.109 30 10 IKEE COc1cc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(C(C)C)cc2)ccc1OC(C)C 21254426 KYVRNIALWGUMDM-VXKWHMMOSA-N 447.575 5.610 30 10 IKEE CCCOc1ccc(C(=O)/C(=C\c2ccc(C(C)C)cc2)c2nc3ccccc3o2)cc1 33768081 HFDROJLHVNYNGZ-HKOYGPOVSA-N 425.528 7.164 30 10 IKEE O=C(C[C@H]1S/C(=N/N=C/c2c3ccccc3cc3ccccc23)NC1=O)c1ccccc1 33810811 VMGNTEMQXNYTJR-UJBXUPAJSA-N 437.524 5.188 30 10 IKEE C=C(C)C(=O)NCc1nc2ccccc2n1CCCCOc1ccc(/C=C/C)cc1OC 40194280 ZRQJGMNPVOYRJU-BJMVGYQFSA-N 433.552 5.130 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccc(C)cc3)CO4)C2=O)cc1 41655952 BMUNTTSCHCXIMI-QFEZKATASA-N 427.500 5.362 30 10 IKEE C=CCCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(C(C)=O)cc3)sc2c1 59721160 QGWHUHLIZVIJTH-UHFFFAOYSA-N 439.562 5.134 30 10 IKEE O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1ccc(Cl)c(Cl)c1)c1c(O)n[nH]c1N2 98036609 QEYTXOORWHXMGP-HWPZZCPQSA-N 432.332 5.442 30 10 IKEE CCCCCCCCCn1c([C@@H](C)NC(=O)Cc2ccc(OC)cc2)nc2ccccc21 102131400 SJHSOPIUAUQXNF-OAQYLSRUSA-N 435.612 6.215 30 10 IKEE CCCCCCCCCn1c(CCCCCNC(=O)c2ccccc2)nc2ccccc21 102165474 HDQDCNQSIAKEPB-UHFFFAOYSA-N 433.640 6.930 30 10 IKEE CN(C)c1ccc(/C=C2/S/C(=N/Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1 103897579 SCZDWWWCUJAVTH-RWBSCQHUSA-N 427.573 5.425 30 10 IKEE CCCCCCCC/C=C/CCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)O 111398760 ZKWJQNCOTNUNMF-VAWYXSNFSA-O 425.678 5.691 30 10 IKEE CO/N=C(\C)[C@H]1/C(=N/OC)C[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118914455 KLCZPBNZZJGNRW-PBFFWNRLSA-N 432.605 5.212 30 10 IKEE C=CCOC(=O)N[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O 138148829 FFOBCBHGUPRUJY-HSZRJFAPSA-N 447.556 5.077 30 10 IKEE Cc1nnc(S)n1/N=C\c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 169909425 WGBXQLOCKZJUKU-XGPRFBRNSA-N 438.560 5.113 30 10 IKEE CCOc1ccccc1-c1nnc(S)n1/N=C\c1ccccc1OCc1ccccc1 169912332 DDFCJKUIXQZNPM-XYGWBWBKSA-N 430.533 5.094 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(O)cc2)c1C 169960976 WPSQFAHCSNNQQE-JOCHJYFZSA-N 433.891 5.445 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2cccc(C)c2)c(C)c1 169971542 YWRVFUMOXZCWLB-QHCPKHFHSA-N 449.453 5.373 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(OC(C)C)cc1 169978773 GVJAUBAKZPIFAD-XMMPIXPASA-N 435.564 5.805 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2ccc(F)cc2)=C(N2C[C@@H](C)O[C@H](C)C2)C1=O 169985756 CDDSTFHUZMVXCZ-WOJBJXKFSA-N 444.591 5.156 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2cccnc2)cc1 170012602 KIUZTHTVFGYPEJ-DEOSSOPVSA-N 426.516 5.039 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(O)c(Cl)c2)cc1C 170042061 ZHDCRSFOJBFVKR-QFIPXVFZSA-N 439.939 5.573 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccc(F)cc2)cc1 170063549 SLHMOTNLXICUKP-OAQYLSRUSA-N 432.838 5.134 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OCC)cc3)[C@H]2c2ccc(C)o2)cc1 170101461 RJBYBLHIFJLIHU-QHCPKHFHSA-N 447.487 5.168 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(OC)c2)cc1 170121490 DFAOQZHDMBRMAF-QHCPKHFHSA-N 435.520 5.005 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2cccs2)c1 170156171 OSLXIRAOVUVKCH-FQEVSTJZSA-N 434.473 5.056 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccs2)c1 170156724 DNCRFPLUCHJMSL-NYHFZMIOSA-N 431.513 5.163 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC(C)C)cc3)[C@@H]2c2cccs2)cc1 170159653 RKCGLOVZANIDJL-QHCPKHFHSA-N 447.556 5.874 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccccn2)c1 170175232 LPGKMOFWWTYPIE-XMMPIXPASA-N 436.467 5.032 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1cccnc1)c1cccc2ccccc12 170191930 CAHABQNKCFTIAN-QHCPKHFHSA-N 442.421 5.296 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccnc2)cc1C(C)C 170196981 WUAUWPDMEJFLGR-HSZRJFAPSA-N 434.536 5.043 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)[C@H]2c2ccncc2)c1 170200943 LMXQAFARPKPPMY-JOCHJYFZSA-N 444.874 5.573 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccccc2)cc1 170225879 BVUVMXZKIWSAPG-XMMPIXPASA-N 427.500 5.485 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2)cc1 170230461 QKJODHBLEWXMKA-XMMPIXPASA-N 445.515 5.627 30 10 IKEE COCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(C(C)C)cc1 170244452 NYRFGPGLWMPYFY-DEOSSOPVSA-N 429.516 5.188 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(C(C)C)cc1 170245766 CDVQBICQAMGAJP-DEOSSOPVSA-N 449.547 5.350 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccc(C(C)C)cc1 170246002 CRCMPQYXAQJXQM-AVRWGWEMSA-N 447.575 5.902 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccc(O)c2)cc1C 170259316 RCQARZAWCYTPSD-DEOSSOPVSA-N 443.499 5.272 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cccc(O)c1)c1ccc2c(c1)CCCC2 170261810 RTCYHFAHOLFFJI-DEOSSOPVSA-N 431.532 5.182 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cccc(O)c1 170264170 IGDUVPAGHCRDJP-HSZRJFAPSA-N 449.547 5.219 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@@H]3c3ccccc3C)oc12 170274231 PYKRYERVWPWQEI-JOCHJYFZSA-N 443.455 5.121 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccco2)c1 170284872 LAWSVVBMQIKSKT-HSZRJFAPSA-N 431.488 5.468 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCC)c1 170323639 ABLKEMQULWZHCS-HSZRJFAPSA-N 437.536 5.251 30 10 IKEE CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cccc(C)c2)cc1 170343716 PACPLGRZEAAOSR-OAQYLSRUSA-N 447.512 5.016 30 10 IKEE Cc1[nH]c2ccccc2c1[C@H]1C(C(=O)c2ccco2)=C(O)C(=O)N1c1cccc(Cl)c1 170404965 OIPDPFGWARSLOB-NRFANRHFSA-N 432.863 5.506 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)[C@@H]1c1ccc(N(C)C)cc1 170445728 FXSFNTOPMHPTGH-OAQYLSRUSA-N 446.469 5.287 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 170454919 HNIMPOPXWCAREB-QFIPXVFZSA-N 438.543 5.183 30 10 IKEE CCCCCCCCC(=O)c1ccc(O)c(C(=O)Nc2cccc(C(=O)OCC)c2)c1 204812709 RWWKAQDONNWMPI-UHFFFAOYSA-N 425.525 5.755 30 10 IKEE CCOc1ccc2c(c1)O/C(=C/c1ccc(OC(=O)c3ccccc3F)c(OC)c1)C2=O 210091580 VOEVDPABLIKSTB-YDZHTSKRSA-N 434.419 5.068 30 10 IKEE CC1=CC(=NN=C2N=C(O)[C@H](CC(=O)Nc3cccc(Cl)c3C)S2)CC(C)(C)C1 252591348 BADZRKRDDRKKTO-KRWDZBQOSA-N 432.977 5.527 30 10 IKEE c1ccc(N=C2S/C(=N/C3CCCCC3)N(C3CCCCC3)C2=Nc2ccccc2)cc1 252629049 TXPDBMSODBCQAQ-FSLDJLOBSA-N 444.648 7.517 30 10 IKEE CC(C)(C)NC(=S)NN=Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 254758479 HVYODSDVDRSCKW-UHFFFAOYSA-N 440.447 5.002 30 10 IKEE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2cccc(C#N)c2)[C@H]1c1cccc(F)c1 526520047 FPHOJLJBSRIRKM-QHCPKHFHSA-N 444.462 5.162 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccc(O)cc2)c(C)c1 526811998 FLHHCLMDXSNIJH-PKAZHMFMSA-N 442.588 5.560 30 10 IKEE C[C@H]1CCCC[C@@H]1N(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(Br)cc1 586127012 VYDAOBWLPJDUIP-KKSFZXQISA-N 447.398 5.090 30 10 IKEE CCc1ccc(S(=O)(=O)N(CCCC#N)c2ccc(OCc3ccccc3)cc2)cc1 586240691 WFGPWOFKUAJLRC-UHFFFAOYSA-N 434.561 5.327 30 10 IKEE C=CCCC[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCCC 686842725 ZEHXFZAHAWMVMI-XMMPIXPASA-N 443.676 5.661 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)cc(Br)cc1F 701864889 VGSHYLIBDZKESK-AEFFLSMTSA-N 447.364 5.628 30 10 IKEE C=C(Cl)C[C@@H](NCCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 710718346 FZUASVZMOGAQEV-OAQYLSRUSA-N 436.040 5.057 30 10 IKEE Brc1cc(Br)cc(N=C2NC3(CCSCC3)CCS2)c1 719668833 HYABMLWYVSNZSV-UHFFFAOYSA-N 436.238 5.191 30 10 IKEE CCCCC(C)=NNc1nc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n[nH]1 1083953851 WKQVVZQGTJDAGN-UHFFFAOYSA-N 448.902 5.186 30 10 IKEE C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@@]2(C)[C@@H]1CCc1ccoc1CN1CCCCC1 1565535479 FSLAVQGJZYEXIY-CIOIWQPASA-N 427.629 6.150 30 10 IKEE Cc1ccc(S(=O)(=O)n2cc(C[C@@H]3CCCC[C@H]3CCC=O)c3cc(F)ccc32)cc1 1616049069 RIYPEZISYYVQNV-PMACEKPBSA-N 441.568 5.654 30 10 IKEE C=CCN1C(=O)/C(=C\c2c(C(C)C)nc3c(Cl)cc(C(F)(F)F)cn23)SC1=S 1858587297 UHYCOWBAAZOXIM-NTUHNPAUSA-N 445.919 5.517 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)n2)c1 1860581280 SMKVUYAOWMRGBY-UHFFFAOYSA-N 446.510 5.048 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2cccc(C)c2)cc1 1862389211 ANDZKOJZWVALMY-VWLOTQADSA-N 440.543 5.511 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(OC)cc1 1862413878 MSVLHZABAFRABN-NRFANRHFSA-N 429.463 5.132 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2cccs2)cc1 1862445113 ORJJFSQUIXENBE-OAQYLSRUSA-N 437.948 5.742 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccc(F)cc1F)c1cccc(Cl)c1 1862446601 WJPLLRVSFIANLE-OAQYLSRUSA-N 445.893 5.919 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C(C)C)cc1OCC 1862454128 PZWZWPGPEWWHNU-NRFANRHFSA-N 443.927 5.124 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccccc1C 1862468461 PRCBQQJRUPMLLN-IFXJQAMLSA-N 428.326 5.134 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cc(C)ccc2C)cc1 1862474447 NPEHSWVCOVCZHA-SANMLTNESA-N 439.555 5.953 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccc(F)cc2)c1 1862488858 JXVUTICWUFKVIB-DEOSSOPVSA-N 445.490 5.230 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc2c(c1)CCCN2C 1862498979 VMOUFUUGFUJCIS-UUOWRZLLSA-N 432.564 5.063 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@H]1c1ccc(CC)cc1 1862517214 ICZMOUYXPPDMBD-RUZDIDTESA-N 449.591 6.196 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2cccc(O)c2)cc1 1862533816 OSVAVYFXMBZYGJ-QHCPKHFHSA-N 447.918 5.387 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(C(F)(F)F)cc1 1862550786 LOWWBGWPCQAZAT-NRFANRHFSA-N 441.449 5.349 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCOC(C)C)cc1 1862614072 XGIIUFHABNNIMW-HSZRJFAPSA-N 435.564 5.296 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)OCO3)=C(O)C(=O)N1[C@@H](C)c1ccccc1 1862625795 NTKBYBDXQXSSQM-XDHUDOTRSA-N 441.483 5.063 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccccc2C)c1 1862648454 BGIRQSBQLFTGBM-HHHXNRCGSA-N 447.534 6.235 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C(C)C)cc3)[C@@H]2c2ccccc2C)cc1 1862659945 GOJZKLMFWZJWIZ-SANMLTNESA-N 439.555 6.205 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C(C)C)cc3)[C@H]2c2cccc(F)c2)c1 1862661801 CWWSMUHJFFGBNU-RUZDIDTESA-N 443.518 6.036 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2ccccc2)cc1 1862687289 IQQSFFYQNIHHFI-BVZFJXPGSA-N 441.527 5.597 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)cc1 1862740606 FNXFPECGZBUQHX-XORNHQRDSA-N 448.519 5.314 30 10 IKEE N#Cc1ccccc1N1C(=O)C(Nc2ccccc2)=C(c2ccc(Cl)c(Cl)c2)C1=O 1862914580 AOSAIKNBGRCRES-UHFFFAOYSA-N 434.282 5.262 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3cc(Cl)ccc3C)C2=O)c1 1863021460 PBTNFGPHEXBNDN-UHFFFAOYSA-N 441.918 5.534 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(F)cc2)C(=O)N(Cc2cccnc2)C1=O 1863504489 RIZAAWABCAIQRV-UHFFFAOYSA-N 437.559 5.231 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2Cl)C(=O)N(Cc2cccs2)C1=O 1863771148 XBTVQHHFSSWKCO-UHFFFAOYSA-N 431.001 5.632 30 10 IKEE CCCCCCCCNC1=C(c2cccs2)C(=O)N([C@@H](C)c2ccc(CC)cc2)C1=O 1863812752 GJIXPGFPVIFHKA-IBGZPJMESA-N 438.637 6.102 30 10 IKEE CCCCCCCCn1cc(OCCOc2ccccc2)c(=O)cc1CN1CCCCC1 1870600109 BZYZPRRNGWNZOH-UHFFFAOYSA-N 440.628 5.653 30 10 IKEE C=CCOc1cn(CCC(C)C)c(CNc2cccc(OCc3ccccc3)c2)cc1=O 1870808956 IRKDEGLWNZAPJX-UHFFFAOYSA-N 432.564 5.650 30 10 IKEE CCCCCCCCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccccc1C)C3=O 1871348505 IYTOCRUVSWMTDE-ITYLOYPMSA-N 433.592 6.904 30 10 IKEE Cc1cc(OC(=O)/C=C/c2ccco2)cc2c1C(=O)/C(=C/c1ccc(-c3ccccc3)cc1)O2 1871369493 NWESTBHUUIAARM-BECMDXFXSA-N 448.474 6.490 30 10 IKEE CCOc1ccc(CC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(OC)cc2)C3=O)cc1 1871375288 DDXSUXKAVWVBHM-OYKKKHCWSA-N 444.483 5.167 30 10 IKEE Cc1cc(OC(=O)c2ccc(C(F)(F)F)cc2)cc2c1C(=O)/C(=C/c1ccccn1)O2 1871375833 FZZBVVZWYDYVBM-ODLFYWEKSA-N 425.362 5.244 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4cccc(OCC(C)C)c4)cc(C)c3C2=O)o1 1871381201 NEXYQKHIUKJNNL-FMCGGJTJSA-N 432.472 5.767 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3oc(=O)c(-c4ccc(OC)cc4)c(C)c3c2)c1 1871389185 XXLHZQVQOIAJLC-UHFFFAOYSA-N 442.467 5.561 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(-c4cc(F)c(F)c(F)c4)noc3c2)cc1 1871389623 GLGJHBPMJVCOEZ-UHFFFAOYSA-N 425.362 5.696 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)cc1 1871389659 INOWNXLNNIQIFR-XYGWBWBKSA-N 441.483 5.153 30 10 IKEE Cc1ccc(OCCCCOc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871403729 WWCHHVHGNJSYQD-XYGWBWBKSA-N 434.919 6.503 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCc4ccc(C(=O)OC(C)C)cc4)ccc3C2=O)c1 1871404341 JEOSYPTVAUNAQS-QFEZKATASA-N 444.483 5.456 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 1871410538 DFNLOIMXADCWHE-SGMWPGOQSA-N 431.463 5.410 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccc(C(C)C)cc3)ccc2C1=O 1871435588 SZSVNIRFZKQQDX-QFEZKATASA-N 443.499 5.452 30 10 IKEE Cc1c(OCCC(=O)Nc2ccccc2)ccc2c1O/C(=C\c1cccc(Cl)c1)C2=O 1871447394 ROGZSSOIKIXLOR-JCMHNJIXSA-N 433.891 5.672 30 10 IKEE C=CCN(CC=C)c1nc(=NCc2cccc(C)c2)nc(Nc2ccc(Cl)cc2C)[nH]1 1871566655 BFTYWYILBPHXGP-UHFFFAOYSA-N 434.975 5.098 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(OC(C)C)cc2)[nH]c(N(C)CCCC)n1 1871722327 CKWUSWGIABBKEC-UHFFFAOYSA-N 442.652 5.833 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)CCCC 1872014917 NCEMZEGDIAXBAC-QFIPXVFZSA-N 436.662 5.489 30 10 IKEE C=CCN([C@H](C(=O)Nc1cc(Cl)ccc1C)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872464831 ANBRDJKRPHLQSW-VGSWGCGISA-N 449.016 5.187 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(Cl)cc1 1872529204 DBOUIYDBFKEZIY-QFIPXVFZSA-N 449.016 5.331 30 10 IKEE N#C[C@@H](C(=O)COc1ccc(Cl)cc1Cl)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1872760129 HZLZSUZVZXRIBC-AWEZNQCLSA-N 448.287 5.280 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)Cc2ccc(C)c(C)c2)n1 1872777953 ZYQDVJXMFBFYBB-NRFANRHFSA-N 432.589 6.152 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@@H](C#N)C(=O)CCCOc2ccccc2)n1 1872786637 ORYGZDLJQKDWQK-SFHVURJKSA-N 440.952 5.816 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2Br)C(=O)N(C2CC2)C1=O 1873070215 OKDAVYHQUIPNRN-UHFFFAOYSA-N 447.417 5.422 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@H]2CCCC[C@H]2C)=C(c2cccs2)C1=O 1873156038 RINRLLLMEDBDIE-UXHICEINSA-N 430.658 6.137 30 10 IKEE CCCOc1ccc(/C=N/n2c(CC)nnc2SCc2ccc(F)cc2)cc1OCC 1873501336 QOUZESIZNJZCRO-MFKUBSTISA-N 442.560 5.342 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)c(Cl)c2)cc2c(N3C[C@H](C)C[C@@H](C)C3)ncnc21 1873666560 PYVSVDSIQNHIFM-HZPDHXFCSA-N 437.975 5.314 30 10 IKEE Cc1oc2cc(OCC(=O)Nc3ccccc3C#N)ccc2c(=O)c1-c1ccc(Cl)cc1 1873868725 OVZIVHQACYHASY-UHFFFAOYSA-N 444.874 5.311 30 10 IKEE CC(C)(C)C1CCC2(CC1)CC(=O)c1ccc(OCC(=O)Nc3ccccc3C#N)cc1O2 1873869434 SPRMGAFPNMGJOW-UHFFFAOYSA-N 446.547 5.516 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccccc3Br)c(=O)oc2c1 1873966478 CSHINQOICYPKIB-UHFFFAOYSA-N 442.309 5.000 30 10 IKEE C=CCSc1nnc(COc2ccccc2OCC)n1/N=C/c1cccc2ccccc12 1874243104 OMHOQCNFEREEPW-YZSQISJMSA-N 444.560 5.569 30 10 IKEE C=C(C)CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1cccc(OC)c1 1874243439 GGUWARMNNZZGFP-CVKSISIWSA-N 436.625 5.596 30 10 IKEE Clc1ccccc1OCc1nnc(SCc2ccccc2)n1/N=C/c1ccccc1 1874266582 DGHUABUXDNJQAI-MFKUBSTISA-N 434.952 5.685 30 10 IKEE Cc1cccc(CSc2nnc(CCOc3ccccc3)n2/N=C/c2ccc(O)cc2)c1 1874344495 PSEXPYXLMDJZDA-YZSQISJMSA-N 444.560 5.088 30 10 IKEE C=C(C)CSc1nnc(CCc2cccs2)n1/N=C/c1ccc(OCCCC)cc1 1874371735 OAALJHDQBULGEO-LFVJCYFKSA-N 440.638 5.854 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3F)n2/N=C/c2ccc(O)cc2)c1 1874376420 VQXHJTHZIYXHCE-JFLMPSFJSA-N 446.551 5.505 30 10 IKEE O=C(O)c1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2)nnc1-c1ccccc1 1874429309 CVBCEQBCVCQEGK-AFUMVMLFSA-N 448.935 5.471 30 10 IKEE CCCc1nnc(SCC)n1/N=C/c1ccc(OCCCc2ccccc2)c(OC)c1 1874506429 BSOYSGWWNZJTGQ-XIEYBQDHSA-N 438.597 5.245 30 10 IKEE Cc1ccc(COc2ccccc2/C=N/n2c(S)nnc2Cc2ccc(Cl)cc2)cc1 1874564363 BAHFBKWYWBPHQJ-CVKSISIWSA-N 448.979 5.581 30 10 IKEE CCOc1cc(/C=N/n2c(S)nnc2CCc2ccc(Cl)cc2)ccc1OC(C)C 1874566364 UKTAUGRYKNPOFF-ZVHZXABRSA-N 444.988 5.074 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(S)nnc2CC23CC4CC(CC(C4)C2)C3)cc1 1874567362 TWBVYRBUBQUSKH-YZSQISJMSA-N 438.641 5.777 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Br)cc2)ccc1OCc1cccc(C)c1 1874608991 RJJBZHNPJROEDA-WUXMJOGZSA-N 437.333 6.241 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc([N+](=O)[O-])c1OCCc1ccccc1 1874617661 NQIUORCFQJQYFE-ACCUITESSA-N 445.515 6.128 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OCC(=O)Nc1cccc(C)c1 1874617848 WNWLGKIHDWZBHQ-FMIVXFBMSA-N 429.516 5.534 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(F)c(C)c3)cc2Cl)c1 1874618646 LQOUMUDYSVSVEZ-UXBLZVDNSA-N 437.898 6.010 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OCC(=O)Nc1nccs1 1874632987 GFSIYYFUQLUQIG-RMKNXTFCSA-N 436.533 5.072 30 10 IKEE O=C(Cc1ccc(Cl)c(Cl)c1)Oc1cccc(/C=C/C(=O)c2cccc(Cl)c2)c1 1874699350 QQGLCBVMCRFJEJ-CSKARUKUSA-N 445.729 6.691 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OC(=O)c1ccc2c(c1)OCO2 1874700704 IOXIDSWCOSJBRN-XNWCZRBMSA-N 436.847 5.193 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3Cl)cc2)c1 1875104837 QOTMACYZKCGXBD-BJMVGYQFSA-N 425.311 6.726 30 10 IKEE CCCCC(=O)Oc1c(OCC)cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc1[N+](=O)[O-] 1875109420 MMZLWERJXNTDQZ-PKNBQFBNSA-N 441.480 5.302 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2Cl)cc1OC 1875128159 QPXVJHGWKWYPOU-DHZHZOJOSA-N 436.891 5.401 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OCC(C)C)cc3)cc2)cc1 1875129785 TZMZVNAMEARYPD-CNHKJKLMSA-N 444.527 6.235 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3Br)cc2)cc1 1875156116 LBNXUFORLUWHBF-CXUHLZMHSA-N 449.344 6.688 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc([N+](=O)[O-])c1OC(=O)C1CCC1 1875157282 WZLPWZDIGGFCMV-MDWZMJQESA-N 437.492 5.719 30 10 IKEE Cc1cc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])ccc1F 1875158161 IOAYUMYYCGYBCK-XCVCLJGOSA-N 437.398 5.226 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccncc2)c(Cl)c1 1875160942 QPDVCYKCEVZKAP-VMPITWQZSA-N 449.934 6.156 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCC)c(OC)c2)cc1 1875161448 QDBDSCYJHRLLJH-GZTJUZNOSA-N 438.564 6.646 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc(Cl)c1OC(=O)C1CCC1 1875169951 VPEGKZANAVLWQS-CMDGGOBGSA-N 428.912 5.576 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)CC(C)C 1875183105 KXGKYYPRZXWIFJ-CMDGGOBGSA-N 428.956 6.512 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)CCSc3ccc(Cl)cc3)ccc21 1891710636 HYTXLBMMCNWHSX-UHFFFAOYSA-N 444.984 5.399 30 10 IKEE CC[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)CN1Cc1ccccc1 1942588845 GJXMHVGEERRCNA-OFVILXPXSA-N 439.987 6.028 30 10 IKEE CCC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(C)cc1 1945773626 PKQKKCGJYSVVSA-AZUAARDMSA-N 431.577 5.570 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]12CCC[C@@H](CC1)N2C(=O)OC(C)(C)C 1951094841 GLZKWXSUMLIJMQ-PPJWLVRDSA-N 428.617 5.450 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](CSCCC)NC(=O)OC(C)(C)C 1975727004 KLSXNPDBVUHOKZ-FGZHOGPDSA-N 436.662 5.164 30 10 IKEE CC(C)(C)OC(=O)N(CCN=[N+]=[N-])[C@]1(C#N)CCC(F)(F)C[C@H]1OCc1ccccc1 1998813604 ILXHOIIMTGXTGD-XLIONFOSSA-N 435.475 5.201 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2016224227 IQDHQWIXGRZXRD-MHECFPHRSA-N 429.561 5.357 30 10 IKEE CC(C)(C)OC(=O)NC[C@](C#N)(c1ccccc1)N(C(=O)OC(C)(C)C)C1CCCC1 2020671393 LMHXXDBCTBFQPX-XMMPIXPASA-N 429.561 5.110 30 10 IKEE O=C(C(=Cc1c(F)cccc1F)c1nc2ccccc2[nH]1)c1ccc(Br)cc1 2040458888 LAMHXVFJKLZVQF-UHFFFAOYSA-N 439.259 6.027 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)C2(C#N)C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c1 2040984933 FWDKTKFDMGWYMK-OALUTQOASA-N 441.572 5.276 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)CC[C@@H](C)C[C@@H]1OCc1ccccc1 2043824396 NHVMBKCEUQVTAQ-DRBLOIPVSA-N 437.624 5.264 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1ccc(N(CC)C(=O)OC(C)(C)C)nc1 2067374394 CQABPQOYTAKQBO-DEOSSOPVSA-N 439.600 5.657 30 10 IKEE Cc1cc(C)c([C@H](C2CC2)n2nc(C(F)F)c(C#N)c2I)c(C)c1 2079858149 LRSKCCQUBCYZCM-INIZCTEOSA-N 441.263 5.222 30 10 IKEE CC1([C@@H](c2ccc(C(F)(F)F)cc2)n2nc(C3CCC3)c(C#N)c2Br)CC1 2079874923 MBEXNWKEFZMMJU-QGZVFWFLSA-N 438.291 6.193 30 10 IKEE CC(C)[C@H](c1ccc(C(F)(F)F)cc1)n1nc(C(F)(F)F)c(C#N)c1Br 2079908312 RGJJUJKSSGITSX-GFCCVEGCSA-N 440.185 5.800 30 10 IKEE ON=Cc1c(C(F)(F)F)nn([C@H](c2ccc(C(F)(F)F)cc2)C2CCC2)c1Cl 2079935093 VUBKDOCTJIWWEE-ZDUSSCGKSA-N 425.760 5.772 30 10 IKEE CC[C@H](c1ccc(C)c(F)c1F)n1nc(C(F)(F)F)c(C=NO)c1Br 2079954280 KBQGZBSGSKXOBK-SNVBAGLBSA-N 426.183 5.059 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@H](C#N)c1ccc(Cl)c(Br)c1F 2097607398 MIRJQWZKZUOFDN-OAHLLOKOSA-N 445.760 6.376 30 10 IKEE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)[C@@H]2C[C@H](c3ccccc3)CC[C@@H]2C#N)C1 2117931185 OJVRWGJDSPZLNG-DGWZTRNLSA-N 445.607 5.584 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H](Nc2cc(Br)c(C#N)cc2F)CC1 2133530284 RZZGAQAOCFHYIH-KBPBESRZSA-N 426.330 5.098 30 10 IKEE CO[C@@H]1CC(F)(F)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2162037967 YINWHHNJFTVLBC-QAPCUYQASA-N 445.304 5.287 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(CCCNc2cc(Br)cc(C#N)c2)cn1 2169161182 AQQWNECMMHZQAE-UHFFFAOYSA-N 431.334 5.107 30 10 IKEE CC(C)N(C[C@@H]1CCCN(c2cccc(Br)c2C#N)C1)C(=O)OC(C)(C)C 2174815828 XQBOKBVEAOVUEV-MRXNPFEDSA-N 436.394 5.183 30 10 IKEE Cc1ccc(C#N)cc1NC(=O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2181047333 OPHJTEJOFMIPHF-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1sc(C)c(Br)c1C 2218930219 ATBWGFHUGJJBJO-GDBMZVCRSA-N 429.424 5.085 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Br)cc1CC 2229242845 CUEHQZCCALZXJK-OALUTQOASA-N 425.411 5.522 30 10 IKEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cccc(Cl)c1Br 2259400242 FTNVCAYEDLETJD-WBVHZDCISA-N 429.786 5.060 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(Br)cc2C#N)C[C@@H]1C(F)(F)F 2279311409 SEYHIAQFWGPLDQ-DZGCQCFKSA-N 448.283 5.063 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1cc(Br)cc(C(C)(C)C)c1 2288667821 JWPZXVVNBZAGCE-OALUTQOASA-N 437.422 5.314 30 10 IKEE CCCN[C@H](C#CC1CCCC1)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2289693989 RNYBRQLLHAPIKT-HXUWFJFHSA-N 435.406 6.030 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@@](C)(NC(=O)OC(C)(C)C)C(C)C 2296228259 XGGZOKXMIGZHQB-UGKGYDQZSA-N 437.422 5.108 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(F)c([C@@H](N)C#Cc2cccc(Br)c2)cc1F 2296230846 XODVUNWNZIFEJX-KRWDZBQOSA-N 437.284 5.126 30 10 IKEE CCCCCCCCOc1ccc(C=C2SC(=S)N([C@@H](CCC)C(=O)O)C2=O)cc1 2296266084 UUJHKKOKSMAUKB-IBGZPJMESA-N 449.638 5.880 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)SC1=S 2297242727 CUXIXMQHPVSDDF-UHFFFAOYSA-N 431.966 5.315 30 10 IKEE CC1(C)CC(N=C2C=CC3=N[C@]45CCCC[C@@H]4CC4=C(CCCC4)N5C3=C2)CC(C)(C)N1 2297450322 VSDVPTFEBFDIBD-NGOKVRLYSA-N 432.656 6.065 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccc(-c2ccccc2)cc1 2314429800 OYGNOBGOUXMUMD-UHFFFAOYSA-N 449.462 6.377 30 10 IKEE CCCCCCOc1ccc(C=C2Oc3ccc(Br)cc3C2=O)cc1OC 2314519459 PMDXFFPYYFZOCH-UHFFFAOYSA-N 431.326 6.033 30 10 IKEE Cc1ccc(COc2ccccc2C=NNc2oc([C@H]3C[C@@H]3c3ccccc3)nc2C#N)cc1 2320839994 OFEYFVLQLXDRNJ-RPWUZVMVSA-N 448.526 6.151 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2C2CC2)cc1 2320858284 GIOHVXVQQSDYFF-UHFFFAOYSA-N 448.636 6.516 30 10 IKEE CC(C)[C@@H]1C[C@@H](Nc2ccc(Br)c(C#N)c2)CN1C(=O)OCc1ccccc1 2321252440 GWDVIUWCOARFNI-CTNGQTDRSA-N 442.357 5.168 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2321348390 HCOWLAKOCDKXMP-OALUTQOASA-N 445.535 5.249 30 10 IKEE COC(=O)c1ccc(COc2ccc3c(c2C)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2321856537 BFCAQEPYFXXEDH-UHFFFAOYSA-N 434.875 5.630 30 10 IKEE Cc1ccc(Cc2nnc(S)n2N=Cc2ccccc2OCc2ccccc2Cl)cc1 2321968406 BQXRDGNFIRTTQT-UHFFFAOYSA-N 448.979 5.581 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(S)nnc1COc1ccc(Cl)c(C)c1 2322211049 PFSWWMQPVKMWBH-UHFFFAOYSA-N 438.940 5.152 30 10 IKEE COc1ccc(CCN2COc3c(cc4c(c3C)OC(=Cc3ccccc3)C4=O)C2)cc1 2322288862 MIGVFGAKOCKBJQ-UHFFFAOYSA-N 427.500 5.014 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2ccc([N+](=O)[O-])cc2)cc1OC 2322350444 RYSPQNIIKBBPFB-UHFFFAOYSA-N 449.459 5.096 30 10 IKEE COc1ccccc1C=C1Oc2cc(OC(=O)c3cccc(OCC(C)C)c3)ccc2C1=O 2323579658 FRTOABDGBZIPBV-UHFFFAOYSA-N 444.483 5.565 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Br)c2)ccc1OCc1ccccc1C 2323673145 BYOUMVOKOUQPLE-UHFFFAOYSA-N 437.333 6.241 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)c(OCC(=O)OCC(C)C)c(OC)c2)cc1 2323827226 IYCLBASDZFYPMM-UHFFFAOYSA-N 446.927 5.221 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(OC)c(OCc3ccccc3C)c(OC)c2)cc1 2323831204 DDFXFCSTSKMDFG-UHFFFAOYSA-N 432.516 5.886 30 10 IKEE COc1cccc(C=NNc2nc(-c3cccs3)c(C)s2)c1OCc1ccccc1 2323858367 NSWUGHSESCDUBT-UHFFFAOYSA-N 435.574 6.214 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OCC 2323959377 OLFLGHDEYWTIOV-UHFFFAOYSA-N 437.580 5.626 30 10 IKEE Cc1cc(OC(=O)CCc2cccs2)cc2c1C(=O)C(=Cc1cn(C)c3ccccc13)O2 2323974835 BRRJZAUZYSTYFB-UHFFFAOYSA-N 443.524 5.703 30 10 IKEE CCCNC(=O)COc1c(Cl)cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1OC 2324055044 MJNYZFNARCOKNG-UHFFFAOYSA-N 443.971 5.447 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OCc1ccc(C)cc1 2324080529 AQONCGQAZLJUHN-UHFFFAOYSA-N 436.891 5.861 30 10 IKEE Cc1c(OCCOc2ccccc2)ccc2c1OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2324220833 SRVIHHQXOMIUNT-UHFFFAOYSA-N 428.528 6.367 30 10 IKEE CC(C)OC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2324304966 DKCTXHWWGRXAPH-GOSISDBHSA-N 428.484 5.689 30 10 IKEE COc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4)cc(C)c3C2=O)cc1 2324402061 HQXFISWSPDAHRE-KRWDZBQOSA-N 429.472 5.026 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(C(C)C)cc3)n2)cc1 2324404240 LPIXTWTXJFXJPC-XMMPIXPASA-N 428.601 7.166 30 10 IKEE CCOc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(F)cc3F)cs2)cc1OC 2324470933 BVVZZKFWNARUTL-KRWDZBQOSA-N 440.471 5.385 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2cccc(F)c2)C3=O)c(C)c1 2324494228 FSSWVABVGJQRGF-KRWDZBQOSA-N 431.463 5.465 30 10 IKEE Cc1ccc(OCCCCOc2ccc3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)cc1 2324586205 MQXKGBUKFGSPTI-UHFFFAOYSA-N 445.471 5.757 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2ccc(OCCO)c(Br)c2)cc1Cl 2324598622 VOERIWBAHXFNRX-UHFFFAOYSA-N 446.124 5.032 30 10 IKEE CCCOC(=O)COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] 2324658422 XQNOIJJRTWNBGC-UHFFFAOYSA-N 438.263 5.130 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)cc(Cl)c1OCC(=O)OC 2324662070 CGDACWITEPKOTG-UHFFFAOYSA-N 443.710 5.493 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)NCc3ccco3)cc2)c2ccccc12 2324672980 GQJNGKKSPBGKAE-UHFFFAOYSA-N 441.483 5.033 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(ccc(OCc4ccc(C#N)cc4)c3C)C2=O)cc1 2324760605 BOBOOJNFXSKANE-UHFFFAOYSA-N 438.527 5.908 30 10 IKEE CC(C)c1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1 2325318152 QDYIMPKNEUUZKF-UHFFFAOYSA-N 447.918 6.097 30 10 IKEE Cc1c(OCC(=O)Nc2c(F)cccc2F)ccc2c1OC(=Cc1ccc(F)cc1)C2=O 2325511628 AQRPOASGYGRRJK-UHFFFAOYSA-N 439.389 5.046 30 10 IKEE COc1cccc(C(=O)C=Cc2cccc(OC(=O)CCCOc3ccc(C)cc3)c2)c1 2325707584 XWUWEXLLTMNLNK-UHFFFAOYSA-N 430.500 5.664 30 10 IKEE Cc1cc(C(=O)C=Cc2cccc(OC(=O)COc3cc(F)ccc3F)c2)ccc1F 2325742133 KZLPKQXWGIWSFR-UHFFFAOYSA-N 426.390 5.293 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(F)c(F)c3F)c2)c(C)c1C 2325755637 RIBFKEXKAOEKES-UHFFFAOYSA-N 440.417 5.845 30 10 IKEE O=C(COCc1ccccc1)Oc1cccc(C=CC(=O)c2cc(Cl)ccc2Cl)c1 2325774552 GPTGLYQLXYKQCC-UHFFFAOYSA-N 441.310 6.012 30 10 IKEE CCCSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1cccc(Cl)c1 2325969644 CFMYOJWTMRQBAX-UHFFFAOYSA-N 449.805 5.669 30 10 IKEE CCCOc1ccc(C=Nn2c(COc3ccc(Cl)c(C)c3)nnc2SCC)cc1 2326519828 VRIZUEXIVUJPMI-UHFFFAOYSA-N 444.988 5.602 30 10 IKEE CCCCc1nnc(SCc2cccc(C(=O)OC)c2)n1N=Cc1cccc(Cl)c1 2326766573 BXCAFWKITCOILO-UHFFFAOYSA-N 442.972 5.235 30 10 IKEE Clc1ccccc1CCc1nnc(SCCc2ccccc2)n1N=Cc1ccccc1 2327969458 JZHAFRPXMWPCGL-UHFFFAOYSA-N 447.007 5.934 30 10 IKEE C=C(C)CSc1nnc(COc2cccc(C)c2C)n1N=Cc1c[nH]c2ccccc12 2328846762 JWRDWCZUCSRDON-UHFFFAOYSA-N 431.565 5.506 30 10 IKEE CCSc1nnc(-c2ccccc2Cl)n1N=Cc1cc(Br)ccc1O 2329561032 DCFDTHQXWLFBAT-UHFFFAOYSA-N 437.750 5.061 30 10 IKEE Cc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2[C@@H](C)c2ccccc2)cc1 2330136093 VNEYAATXSGLOBU-IBGZPJMESA-N 447.007 6.566 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(Cc2cccs2)n1N=Cc1cccnc1 2330449020 ULQMLUFTEXMABX-UHFFFAOYSA-N 443.960 5.292 30 10 IKEE Cn1cccc1C=Nn1c(SCc2c(F)cccc2Cl)nnc1-c1cccs1 2330621482 PVQUTKOLMWXFGG-UHFFFAOYSA-N 431.949 5.312 30 10 IKEE N#Cc1ccc(OC2CN(C(=O)C=Cc3ccc(OCc4ccccc4Cl)cc3)C2)cc1 2330873176 MBLYWTLEVOAECN-UHFFFAOYSA-N 444.918 5.094 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1Cl 2330919461 XBYKTMUNLNNSCR-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE Cc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2[C@H]2CCCO2)cc1 2331016332 SIZMMKOHXNLNRG-LJQANCHMSA-N 430.936 5.405 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3cccc(F)c3)nnc2C2CCCC2)c1 2331049638 XYELGIOGLRADLT-UHFFFAOYSA-N 438.572 6.038 30 10 IKEE O=C(Cc1ccc(Cl)c(Cl)c1)Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1 2331084267 KIKHGBWXFYTFJM-UHFFFAOYSA-N 447.264 6.316 30 10 IKEE Cc1ccsc1C=Nn1c(SCc2c(F)cccc2Cl)nnc1C1CCCC1 2331103605 DZWBACAUCMDMOH-UHFFFAOYSA-N 434.993 6.273 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(SCc2ccc(F)cc2)nnc1C(F)(F)F 2331115652 FPIHBVSMRLAUCF-UHFFFAOYSA-N 438.450 5.398 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)c1ccccc1C 2331122101 KSRUCETVTGXMIS-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2Cl)cc1OC 2331165699 QPXVJHGWKWYPOU-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)c1ccccc1C 2331318665 MHMWLCHWSFIYFW-UHFFFAOYSA-N 430.500 5.744 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)C(F)(F)F)c(Br)c2)c1 2331319915 AXEYAJDUGTZXLW-UHFFFAOYSA-N 427.216 5.430 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2cccc(Cl)c2)nnc1C(C)(C)C 2331408332 YSQIZPMZPPESKA-UHFFFAOYSA-N 443.016 6.192 30 10 IKEE CC(C)Cc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccccc1Cl 2331474379 CAIDEPFVDZLPMY-UHFFFAOYSA-N 437.371 6.097 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(C(C)C)n2N=Cc2ccccc2Cl)c1 2331670127 ZCFICZFYHPYOFS-UHFFFAOYSA-N 441.988 5.285 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)cc1C 2331704854 OWLNMRDKMNMWFL-UHFFFAOYSA-N 435.863 5.980 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(CC)cc3)cc2)c(OCC)c1 2331733079 NVTKOBRYMSRCOH-UHFFFAOYSA-N 444.527 6.162 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)Cc2cc(C)ccc2C)cc1 2331752560 PPXVMGIIEVZVGT-UHFFFAOYSA-N 448.946 6.318 30 10 IKEE CC(C)c1ccccc1-n1nnc(C#N)c1NC(=O)C=Cc1ccc(Cl)c(Cl)c1 2332188605 REDVITNSLZZDAZ-UHFFFAOYSA-N 426.307 5.221 30 10 IKEE C=CCN(CC[C@@H](NC)c1cc(Br)cc(OC2CC2)c1)C(=O)OC(C)(C)C 2362719599 GIZMVQOSMWNDEH-LJQANCHMSA-N 439.394 5.064 30 10 IKEE CN(Cc1sccc1Br)c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2365068332 OWBSWWCPMIBWHF-CSKARUKUSA-N 435.196 5.187 30 10 IKEE CN(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(Cl)c2)cc1 20883055 OZRWXWSCXFEASX-UZTOHYMASA-N 443.978 6.386 30 10 IKEE COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(Cl)ccc2O)cc1 21256340 DJUMLIDDNWNZOB-AKJBCIBTSA-N 446.934 6.034 30 10 IKEE COc1ccc(-c2csc(NC(=O)[C@H](C)Sc3ccc4ccccc4n3)c2C#N)cc1 32528241 KSSIQFQBQZOJIQ-HNNXBMFYSA-N 445.569 5.963 30 10 IKEE Cc1ccc(C(C)C)c(OCCCN2C(=O)/C(=N\O)c3cc(Br)cc(C)c32)c1 39854048 DYCBYJWXHKZHIB-GFMRDNFCSA-N 445.357 5.183 30 10 IKEE C/C(=C1/S/C(=N/c2nc(-c3ccccc3)cs2)N(C)C1=O)c1ccc(Cl)cc1 39865744 IBDVRMSVCPHWIJ-QACXOHACSA-N 425.966 6.087 30 10 IKEE COCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(-c2ccccc2)cc1)C3=O 41649777 RRNWVPUTOMRIQU-XYGWBWBKSA-N 441.527 5.467 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccc(F)cc3)CO4)C2=O)cc1 41655976 CWOHDBDVNRGDMH-CFRMEGHHSA-N 431.463 5.193 30 10 IKEE CC/N=C1/S/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)N1CC 59104723 IMLMBBXOLHGSEK-ONNNIBOUSA-N 435.376 5.885 30 10 IKEE O=C1N/C(=N\c2ccccc2)S/C1=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 59514530 AYXFJGQCZPYBGW-WQRHYEAKSA-N 425.853 5.400 30 10 IKEE CCCCCCCOc1cccc(NCC(=O)Nc2cccc(OCc3ccccc3)c2)c1 100090050 QDBAOMFJZACHOF-UHFFFAOYSA-N 446.591 6.665 30 10 IKEE O=C(Nc1ccccc1)[C@@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2ccc(Cl)cc2)S1 100397541 SIZYZTYBBTTWPZ-AQTDBHCXSA-N 449.963 5.501 30 10 IKEE CCCCCCCCCCCCn1c([C@@H](C)NC(=O)[C@H]2CCCO2)nc2ccccc21 102133481 IHNACFYKYWIHJL-ZJSXRUAMSA-N 427.633 6.313 30 10 IKEE CCOc1ccc(N2C(=O)C(=O)/C(=C(O)/C=C/c3ccccc3)[C@H]2c2ccc(F)cc2)cc1 103120909 NXOUPXDCLRTMHD-NMFQLYCZSA-N 443.474 5.407 30 10 IKEE CCCc1nnc(S)n1/N=C\c1ccc(OCc2cccc(Cl)c2)c(OCC)c1 169910640 FLONIJWSRHRNTQ-QRVIBDJDSA-N 430.961 5.033 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\Nc2nc(C)c(C(C)=O)s2)cc1OC 169942401 LWCQBTNZPDSZMU-JLPGSUDCSA-N 431.602 6.238 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2cccs2)cc1C 169984615 UMSXTTOUHREBJN-OAQYLSRUSA-N 437.948 6.110 30 10 IKEE CCCCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccn2)cc1 169993610 RMLUFEKSNUCEPH-HSZRJFAPSA-N 446.934 5.861 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)cc1C 170070381 NMIMHJLEMGEGPN-JOCHJYFZSA-N 435.882 5.879 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2c[nH]c3ccccc23)c1 170074008 DZGSAYGDDDQRBP-DEOSSOPVSA-N 440.474 5.707 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1c[nH]c2ccccc12 170075595 BOILJXZJLMJWCT-QHCPKHFHSA-N 426.447 5.398 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)CCc2ccccc2)=C(O)C(=O)N1c1ccc(N(C)C)cc1 170087372 FYSYSVRNJYLATJ-SANMLTNESA-N 440.543 5.163 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@@H]2c2ccc(C)o2)c1 170101004 SBBAISREKMNKRM-OAQYLSRUSA-N 439.870 5.780 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cc(C)cc(C)c3OC)=C(O)C(=O)N2c2ccccc2)c1 170117951 LVVIICCPZQXPDK-QHCPKHFHSA-N 443.499 5.104 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1cccc(C)c1 170146757 KCAYICKGZGQCJA-LJQANCHMSA-N 428.326 5.136 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccs1 170161610 HTQPWNWGJHNOFW-HSZRJFAPSA-N 425.509 5.993 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccccn2)cc1 170172460 XYHIJQIKLNRNHG-XMMPIXPASA-N 442.515 5.270 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1cccnc1)c1ccc(Cl)c(Cl)c1 170188182 VAVAWNHQQNFAEG-LJQANCHMSA-N 425.271 5.171 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1cccnc1 170196151 BGIKJPNOQBCALN-HSZRJFAPSA-N 436.552 5.193 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccncc1)c1cccc2ccccc12 170204111 KACXXEDCDKBSQY-QHCPKHFHSA-N 440.886 5.671 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccc2)cc1 170222783 IJVZUWYLJOGHKB-HSZRJFAPSA-N 431.463 5.397 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccccc2)cc1C 170225146 LAFLKYWDWZABTO-SANMLTNESA-N 437.539 5.965 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccc2)c1 170228841 VTMIHIUCVYVRDO-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2)ccc1OCC(C)C 170230515 ILICHSMTWTZGHY-DEOSSOPVSA-N 445.515 5.401 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2c(C)[nH]c3ccccc23)cc1 170403632 XHBKLBWVVKUMCK-DEOSSOPVSA-N 437.499 5.217 30 10 IKEE CC(C)c1ccc2nc(N3C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]3c3cccs3)sc2c1 170477699 VQAJWCHKTKNFRH-GOSISDBHSA-N 440.590 5.996 30 10 IKEE CCCCCCCCCCCCCCCCn1c(/C=C\c2ccco2)nc2ccccc21 205756699 LJNZIHIWQRBSHD-FCQUAONHSA-N 434.668 9.281 30 10 IKEE C=CCOc1cccc2c1cc(C(=O)NC1CCN(Cc3ccccc3)CC1)n2C/C=C/C 210617016 QCSIRJPYFSARMI-HWKANZROSA-N 443.591 5.177 30 10 IKEE O=C(/C=C\c1ccc(Br)cc1)Oc1ccc(C=Nc2ccc(Cl)cc2)cc1 252596313 CIHHNIOZHNJFRI-IOMJMWMXSA-N 440.724 6.472 30 10 IKEE C=CCn1c(SCCC(=O)Nc2ccc(C)cc2)nnc1-c1ccc2ccccc2c1 253571110 OMZSLOZHDWYYGS-UHFFFAOYSA-N 428.561 5.714 30 10 IKEE CC(=O)Nc1ccc(N=Cc2c(O)c(C(=O)Nc3ccccc3C)cc3ccccc23)cc1 254309975 RVNBRYXOGRKJOT-UHFFFAOYSA-N 437.499 5.815 30 10 IKEE C=CCSc1nc2ccc(N=Cc3ccc(I)o3)cc2s1 254351046 VGAQLFTUVZXDDQ-UHFFFAOYSA-N 426.304 5.523 30 10 IKEE CCCCCCCCCCC(=NO)C(=NO)c1cc(C)ccc1OC(=O)c1ccccc1 254440991 CHEYMHAQGXUSCW-UHFFFAOYSA-N 438.568 6.754 30 10 IKEE CCCCCCCCOc1ccc(C=NNc2nnnn2-c2cccc3ccccc23)cc1 254450018 JXVUMQAQZSXBEE-UHFFFAOYSA-N 442.567 6.001 30 10 IKEE CCN1/C(=C2\SC(=Nc3ccccc3)N(c3cccc(C)c3)C2=O)Sc2ccccc21 263631691 MWVVIEWHBGCKQJ-CJKMRZRNSA-N 443.597 6.564 30 10 IKEE N#CCc1ccnc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1C(F)(F)F 514261304 FXXLQJJFEHYFHT-UHFFFAOYSA-N 434.459 7.100 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccc(Cl)c2)c1 526487249 VYCZYDJGBVHXNW-XMMPIXPASA-N 444.918 6.058 30 10 IKEE COc1ccc([C@@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1Cl 526490018 CUAMWRVBSXRFSR-HSZRJFAPSA-N 430.891 5.586 30 10 IKEE Cc1ccc([C@H]2C(c3cccc(OCC(C)C)c3)=C(O)C(=O)N2c2ccccc2C#N)o1 526606425 YRXUPZNTIDJURL-DEOSSOPVSA-N 428.488 5.552 30 10 IKEE Cc1ccc([C@H]2C(c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526608731 MXCHBRMQSPYIFK-QFIPXVFZSA-N 435.310 6.231 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1/N=C\c1ccc(OC(C)C)c(Cl)c1 526799233 DNHZSBCPLBAILU-MYYYXRDXSA-N 443.016 6.236 30 10 IKEE CCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1ccc(O)c(OC)c1 526806264 RNTMRVBHWUWDMW-MYYYXRDXSA-N 438.597 5.417 30 10 IKEE Cc1cccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2cccc3ccccc23)c1 526821989 PORMEZWBZFQRIP-CEUNXORHSA-N 448.595 6.505 30 10 IKEE CCCCc1nnc(SCc2cccc(C(=O)OC)c2)n1/N=C\c1ccc(Cl)cc1 526827428 ZJZSBCDRRCPIKP-OYKKKHCWSA-N 442.972 5.235 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)C2CCCCC2)cc1 586179828 JFTQXXVJFVMNHM-UHFFFAOYSA-N 438.637 6.205 30 10 IKEE C=C(C)CN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(CCCCCC)cc1 586236279 NTERXVAKNRBIDV-UHFFFAOYSA-N 439.543 6.600 30 10 IKEE C=CCN(CC=C)C(=O)Nc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 586665008 VIWAALHHOSMPBS-UHFFFAOYSA-N 438.742 6.105 30 10 IKEE OCc1ccnc(-c2c(F)c(F)c(F)c(F)c2F)c1-c1c(F)c(F)c(F)c(F)c1F 1848358413 DVOKMTKHPVHMBM-UHFFFAOYSA-N 441.224 5.299 30 10 IKEE CCCCCCCCNC(=O)c1oc2cc(OC)ccc2c(=O)c1-c1ccc(OC)cc1 1859779737 DUZXDNMENLGVMX-UHFFFAOYSA-N 437.536 5.568 30 10 IKEE N#Cc1c(O)nc(SC(c2ccccc2)c2ccccc2)nc1-c1ccccc1Cl 1860824946 DPBGEEKFZMWMON-UHFFFAOYSA-N 429.932 6.256 30 10 IKEE N#Cc1ccc(NC(=O)c2ccc(NC(=O)/C=C/c3ccc(Br)cc3)cc2)cc1 1860915051 AJHPPUIYIYKASJ-LHHJGKSTSA-N 446.304 5.225 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)/C=C/c1ccc(OC)cc1 1861075305 PGALTZVAKIMOAJ-ARHOYUFESA-N 430.633 5.640 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)[C@@H](C)Oc1ccccc1C(C)C 1861655586 XKTHQDUINHWVKR-GGAORHGYSA-N 432.649 5.729 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2cccc3ccccc23)n(Cc2cc(C)ccc2C)n1 1862371351 SPIZLRSYIMQQPW-UHFFFAOYSA-N 435.571 6.183 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@H]2c2ccc3c(c2)OCCO3)cc1 1862396571 IPSNFXQNEBWLEG-DEOSSOPVSA-N 449.547 5.179 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2cccc(F)c2)cc1C 1862401536 DAGVTNXXDHWRLR-HSZRJFAPSA-N 449.453 5.060 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CCCCC2)cc1 1862431781 OQCPSWPHJNFVGB-OAQYLSRUSA-N 425.912 5.260 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(OCc2ccccc2)cc1 1862455296 RLTYNLQHSSYNDG-HSZRJFAPSA-N 447.918 5.517 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccccc2)cc1 1862475632 QXIZTXZZVDCPKW-KBMIEXCESA-N 425.528 5.897 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2cccs2)cc1 1862489261 SXRAFQAWBUWWSL-QHCPKHFHSA-N 431.557 5.706 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2c(F)cccc2Cl)c1 1862494028 DCFLCQKNENKJJR-NRFANRHFSA-N 445.918 5.099 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cc(Cl)c(O)c(OC)c1 1862497407 JNWUYCOZLVTLJU-XOBRGWDASA-N 443.927 5.048 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862501654 HSCKKFFWHWNYTP-HSZRJFAPSA-N 449.453 5.060 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cccc(C)c1 1862507266 HWCSPEFEYQGSKM-HSZRJFAPSA-N 439.527 5.228 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2cccc(O)c2)ccc1F 1862508231 ZFRQLTGUKNAOJV-QHCPKHFHSA-N 435.495 5.309 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(C)cc1 1862543198 AMJBTHGKBCUESG-RUZDIDTESA-N 431.576 6.032 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(C)cc1 1862613920 SSBMKBUYEOHNET-DEOSSOPVSA-N 433.592 6.451 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(O)cc2)cc1 1862662696 KIZMCFFSJDMBLJ-DEOSSOPVSA-N 427.500 5.294 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1c(Cl)cccc1Cl 1862668125 RBXDNEVAPWFMII-OAQYLSRUSA-N 446.374 6.351 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccccc2Br)cc1 1862669909 IBLOESWZLVMBDM-HXUWFJFHSA-N 440.337 5.313 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)cc1 1862675462 LJIHZLVXODSVDU-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(Cl)cc1 1862726154 ZSYOBRFICBEGKB-OSPHWJPCSA-N 445.946 6.384 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C(=O)N1C1CCCCCC1 1862746199 AQSGBBDEPJJYLF-QFIPXVFZSA-N 434.492 5.204 30 10 IKEE C=CCN1C(=O)C(Nc2cc(C)c(Br)cc2C)=C(c2cc(C)ccc2C)C1=O 1863407612 WBTCZKAHNQLOAG-UHFFFAOYSA-N 439.353 5.061 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(C)cc2)C(=O)N(Cc2ccccc2)C1=O 1863612679 HGQDSHYNZTUAKS-UHFFFAOYSA-N 432.608 6.005 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N2C[C@H](C)O[C@H](C)C2)nn1-c1cccc(Cl)c1 1869945086 BPVWVUGGNGVLDP-HDICACEKSA-N 448.011 5.223 30 10 IKEE CCCCCCOc1ccc(-n2nnc(C#N)c2NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 1870160989 UMBCZRYTQSXANU-UHFFFAOYSA-N 447.583 5.253 30 10 IKEE CCCCCCCOc1cn(Cc2cccc(C)c2)c(CSc2ccccn2)cc1=O 1870251606 MSRFMTQULLJAIX-UHFFFAOYSA-N 436.621 6.242 30 10 IKEE CCCCCCCCCCn1cc(OCCCO)c(=O)cc1CN(C)Cc1ccccc1 1870359870 NLYOFHOAKUWEEH-UHFFFAOYSA-N 442.644 5.382 30 10 IKEE C=CCOc1cn(CCCOCC)c(CN(Cc2ccccc2)Cc2ccccc2)cc1=O 1870383289 DDOIAYNQIDXLMD-UHFFFAOYSA-N 446.591 5.042 30 10 IKEE CCCCCCCOc1cn(CCCCCC)c(CNc2ccc(Cl)cc2C)cc1=O 1870839698 XWCYRWQAUFPBRP-UHFFFAOYSA-N 447.063 7.352 30 10 IKEE O=C1/C(=C/c2ccccc2Cl)Oc2c1ccc1c2CN(CCOc2ccccc2)CO1 1871346635 OSZXHWRSSYHYQE-UCQKPKSFSA-N 433.891 5.187 30 10 IKEE O=C1/C(=C/c2c(F)cccc2Cl)Oc2c1ccc1c2CN(C2CCCCCCC2)CO1 1871349349 PKQQALAVQUCZAG-QRVIBDJDSA-N 441.930 6.360 30 10 IKEE CCCCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(Br)cc1)C3=O 1871352227 VWQTUFVCRWKKAE-BKUYFWCQSA-N 442.353 5.798 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OC(=O)CCc4ccc(C)cc4)cc(C)c3C2=O)c1 1871366472 GYOIZGBYMPPWDQ-IWIPYMOSSA-N 428.484 5.466 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc(OC(=O)c3cc(Cl)ccc3Cl)c2C)C1=O 1871380964 GVXJPLOLGAHTNZ-ZDLGFXPLSA-N 445.323 6.507 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccc(F)cc4)ccc3C2=O)cc1 1871401211 WUUALQXTZHVKOS-DNPFKWNUSA-N 431.463 5.410 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1C)C2=O 1871402865 OFPGFHMSTGSUCU-MGKUZBKYSA-N 441.527 5.888 30 10 IKEE Cc1cc(OCCOc2ccc(C(C)(C)C)cc2)cc2c1C(=O)/C(=C/c1cccc(F)c1)O2 1871414799 POANIJUDAUJXFU-XYGWBWBKSA-N 446.518 6.506 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4c(F)cccc4F)c3C)C2=O)c1 1871440714 CVGSTWDJZGHDPN-MTJSOVHGSA-N 435.426 5.215 30 10 IKEE N#Cc1ccccc1N1CC(=O)C(c2nc(-c3ccccc3)c(-c3ccccc3)s2)=C1N 1872725857 AEYQWOMYZLPQAO-UHFFFAOYSA-N 434.524 5.065 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc2nc(-c3ccccc3OCCCC)[nH]c2c1 1872739219 AZQKIDIYWFEEDR-UHFFFAOYSA-N 449.639 7.279 30 10 IKEE Cc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(Br)cc3)cs2)c(C)c1 1872764886 AMVSLZPRWAVFIJ-QGZVFWFLSA-N 441.350 5.445 30 10 IKEE Cc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c(C)c1 1872768946 FZAWAGDFJKIZKT-HNNXBMFYSA-N 431.344 5.989 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2cccs2)=C(c2c(C)cc(C)cc2C)C1=O 1873115603 ABOWRSRTWCORBV-UHFFFAOYSA-N 438.637 5.904 30 10 IKEE CCCCCCCCN1C(=O)C(NC2CCCCCCC2)=C(c2ccc(Cl)cc2)C1=O 1873138416 PUJJYFOIOZSSDV-UHFFFAOYSA-N 445.047 6.483 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C(C)C)c(C)c2)=C(c2ccccc2C)C1=O 1873305608 MNHJFONCUWGJFI-UHFFFAOYSA-N 446.635 6.979 30 10 IKEE COc1ccc(/C=N/Nc2oc([C@@H]3C[C@H]3c3ccccc3)nc2C#N)cc1Br 1873471044 VDWGDEHUZKLPGV-OVOPOKIJSA-N 437.297 5.034 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(CC)cc1 1874205291 TYPWSZWJTNMLQS-ZMOGYAJESA-N 449.407 6.111 30 10 IKEE CSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1ccc(Cl)cc1 1874205684 NBGDXXPDINIEMT-ZVBGSRNCSA-N 427.744 5.421 30 10 IKEE Clc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccccn2)cc1 1874265447 YAFCJVVKNUOCFF-AFUMVMLFSA-N 435.940 5.080 30 10 IKEE CCCCC1CCC(c2nnc(SC)n2/N=C/c2c(OC)ccc3ccccc23)CC1 1874285974 IWFYWYHFWBBFER-YZSQISJMSA-N 436.625 6.508 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1ccc(C(=O)OC)cc1 1874329697 ACRIYUBOPQBAHR-CVKSISIWSA-N 448.592 5.017 30 10 IKEE CCSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1c(OC)ccc2ccccc12 1874330341 QZGLYQSGISTDHE-WPWMEQJKSA-N 444.604 5.836 30 10 IKEE C=CCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874342948 RGPJYKFNFCTYBO-FSJBWODESA-N 449.363 5.050 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccccc3C)nnc2[C@@H](C)c2ccccc2)c1 1874392921 YKONTWYFKXOPSX-KKMLCIJBSA-N 442.588 5.921 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3ccccc3F)nnc2[C@@H](C)c2ccccc2)c1 1874395167 FWIFSSGBVDXSKS-FQNOVECQSA-N 430.552 6.052 30 10 IKEE C=C(C)CSc1nnc(CC2CCCCC2)n1/N=C/c1cccc(Br)c1 1874407747 NKKHBTMXEBZLPM-LPYMAVHISA-N 433.419 5.714 30 10 IKEE Cn1cccc1/C=N/n1c(Cc2cccs2)nnc1SCc1c(F)cccc1Cl 1874414632 BLWACDJKOMBYTE-FSJBWODESA-N 445.976 5.236 30 10 IKEE Cc1ccc(CSc2nnc(CC(C)(C)C)n2/N=C/c2ccc3c(c2)OCCO3)cc1 1874436572 HSEYFQAWNLZFMS-MFKUBSTISA-N 436.581 5.121 30 10 IKEE Fc1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2c(F)cccc2Cl)cc1 1874452549 AVIGFOHKTVHWKD-BRJLIKDPSA-N 432.927 6.042 30 10 IKEE Oc1ccccc1/C=N/n1c(SCc2c(F)cccc2Cl)nnc1-c1ccco1 1874469690 SAYAXUKJODBNKI-FOKLQQMPSA-N 428.876 5.211 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccccc1C 1874479678 LXEBVMZVTIETJL-ZMOGYAJESA-N 433.408 6.410 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1ccc(Br)cc1 1874507541 IRTHPWIIRRWPCF-YDZHTSKRSA-N 443.414 5.784 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cccc(OC)c1OCC(=O)Nc1ccc(C)c(C)c1 1874577013 RCCLWOJXGWBBHV-FYWRMAATSA-N 445.515 5.234 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3ccccc3c2/C=C/C(=O)c2ccccc2)c(C)c1 1874578455 OPRFJMQMQBECRV-JQIJEIRASA-N 435.523 6.370 30 10 IKEE CCOc1c(Br)cc(Br)cc1/C=C/C(=O)c1ccc(F)c(F)c1 1874585136 NUAPEZNQKUOSSH-GQCTYLIASA-N 446.085 5.785 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C)c(C)c2)c1OCc1nc(O)c2ccccc2n1 1874587902 KLBBEYQUDDONCI-BUHFOSPRSA-N 440.499 5.436 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Br)ccc2OCC(=O)OCC(C)C)cc1C 1874588444 MSUTYPILTYGBOT-VQHVLOKHSA-N 445.353 5.540 30 10 IKEE O=C(/C=C/c1cccc(OCc2cccc(Cl)c2)c1)c1cccc(Br)c1 1874595148 WXENQHKBSYFARB-ZHACJKMWSA-N 427.725 6.578 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc3ccccc23)c([N+](=O)[O-])c1)c1cccc(Cl)c1 1874612438 VIEWOLDIKGVXQL-ACCUITESSA-N 443.886 6.877 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)cc(Cl)c1OCc1ccccc1 1874619633 KWPWPMITUKIUDA-VAWYXSNFSA-N 436.935 6.531 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Br)c1OCc1ccccc1 1874625665 QGOQGWWNXQJQIN-KPKJPENVSA-N 441.296 6.072 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(OC)c1OCc1cc(C)ccc1C 1874634093 LBYQFIZZPOBQEB-ZHACJKMWSA-N 444.571 6.721 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OCc2c(F)cccc2Cl)cc1 1874634409 AIXROXCWLWPKJD-DHZHZOJOSA-N 445.317 6.925 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OC(=O)Cc1ccc(Cl)cc1 1874703504 TVAWKELIYSVNEN-XYOKQWHBSA-N 434.919 6.010 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1OC(=O)CCCSC 1874705865 DQODJBJKWKHYRI-RIYZIHGNSA-N 426.578 5.937 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OC(=O)C1CCC1 1874713972 YCZGMKBFJQQKSQ-MDZDMXLPSA-N 443.337 5.676 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)cc1 1875084989 KBWDYKQHNUIQMU-VZUCSPMQSA-N 437.835 5.372 30 10 IKEE O=C(Cc1ccccc1F)Oc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1Cl 1875096180 APPIYKVLGFKFMK-UKTHLTGXSA-N 444.889 6.677 30 10 IKEE O=C(COc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1Cl 1875097221 AJOMVVCGWGDWRG-GXDHUFHOSA-N 446.930 6.099 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc(N(C)C)cc1 1875110325 GAMDKJGCNFUATB-RIYZIHGNSA-N 435.907 5.530 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc4ccccc34)c(Cl)c2)cc1 1875114409 SNUKWALILJHKMO-OQLLNIDSSA-N 442.898 6.617 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC(=O)CSc1ccccc1 1875122988 RDTWDRSBNVJTPC-ZRDIBKRKSA-N 438.932 5.942 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@H]2C[C@H]2c2ccccc2Cl)cc1)c1ccc(Cl)cc1 1875123237 YBQZOKMWUIIYSF-YXOZBRPMSA-N 437.322 6.599 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cnccn3)cc2)cc1OCCC 1875123803 FTXKBUMZJDGTLR-YRNVUSSQSA-N 446.503 5.170 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1cccc(Cl)c1 1875127803 YUIHKGNCRFEJAA-VZUCSPMQSA-N 427.283 6.117 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc(Cl)ccc3Cl)cc2)c(C)c1 1875131069 GTJLIJRBGMLNNZ-WUXMJOGZSA-N 425.311 6.726 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)C(F)(F)F)c(OC)c2)cc1 1875136822 YHUMBHCKMJPKOQ-RUDMXATFSA-N 442.817 5.501 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2c(F)cccc2Cl)cc1)c1ccc2c(c1)OCCO2 1875147438 YPMLDQOQJDJYCL-UXBLZVDNSA-N 438.838 5.366 30 10 IKEE Cc1cnc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2[N+](=O)[O-])cn1 1875148429 NMDSQVJNYPVFDX-VZUCSPMQSA-N 445.475 5.106 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)[C@@H](C)c1ccccc1 1875157720 LQWOIEKCMGVFSU-ZGUWOUCSSA-N 434.463 5.448 30 10 IKEE Cc1ccccc1CCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 1875159806 LTDRGAVWJICKHU-AWNIVKPZSA-N 433.435 5.477 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1ccc2c(c1)OCO2 1875184502 DNGCXJVRVGBCDH-VMPITWQZSA-N 444.483 5.464 30 10 IKEE N#Cc1ccc(C(=O)N2CCC(c3ccc4cc(-c5ccccc5)cnc4n3)CC2)c(F)c1 1890782851 KJKXKIHJNMUMIZ-UHFFFAOYSA-N 436.490 5.327 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)Nc3c(Cl)cccc3Cl)cc21 1891062609 UGMXNNLAMJTGKX-UHFFFAOYSA-N 434.323 5.575 30 10 IKEE CN(CC#CCNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1)Cc1ccccc1 1891816856 IOVWZCSGORRXCR-UHFFFAOYSA-N 441.962 5.354 30 10 IKEE C=CCN(CC[C@@H](NCCC)c1ccc(Br)c(F)c1)C(=O)OC(C)(C)C 1894880701 HITUEYFEKDWPBI-GOSISDBHSA-N 429.374 5.442 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCC23CN(C(=O)OC(C)(C)C)C3)cc1 1918320862 KITHBHLGDYNUDC-RUZDIDTESA-N 441.572 5.420 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 1945519748 AGMPTPMTPFRTEW-MNEFBYGVSA-N 433.524 5.105 30 10 IKEE C[C@H]1CN(Cc2ccccc2)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1949314811 SMAKVIKVUPTDPD-UQBPGWFLSA-N 439.987 5.886 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1cnn(C(C)C)c1NC(=O)OC(C)(C)C 2015157844 HGBBLTULHOOJFA-OAQYLSRUSA-N 428.577 5.235 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCC[C@@H]2NC(=O)OC(C)(C)C)cc1 2031466558 URZOCXHOHPFLGZ-CYFREDJKSA-N 445.560 5.166 30 10 IKEE CC1(C)C[C@@H]([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)N(C(=O)OC(C)(C)C)C1 2033723345 NWAYDFHDERDOKG-OALUTQOASA-N 447.551 5.495 30 10 IKEE N#CC1(c2ccccc2)CC(=Cc2ccccc2Cl)C(=O)C(=Cc2ccccc2Cl)C1 2053622320 UQKCZQYCSDNAOB-UHFFFAOYSA-N 444.361 7.285 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H]3C[C@H](OCc4ccccc4)C[C@H]32)c1 2070323881 AIPUTIOSGREJRR-NEGYVOTHSA-N 432.564 6.014 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCCC)c2scc(Br)c2C)C1 2077084774 WKSYSDZITGUWRL-INIZCTEOSA-N 429.424 5.473 30 10 IKEE CC(C)(C)c1nn(-c2cc(C(F)(F)F)cc(F)n2)c(C(F)(F)F)c1Br 2078895888 JEJFXZGKKIPGHO-UHFFFAOYSA-N 434.153 5.504 30 10 IKEE Cc1ccc([C@H](C(C)C)n2nc(C3CCC3)c(C#N)c2I)c(C)c1 2079036023 OMYSXOWRIBKJBI-IBGZPJMESA-N 433.337 5.489 30 10 IKEE CCc1ccc([C@@H](n2nc(C3CCC3)c(C#N)c2I)C2(C)CC2)cc1 2079080131 YGEHOQIPSCIOAS-LJQANCHMSA-N 445.348 5.579 30 10 IKEE COc1ccc([C@H](C2CCC2)n2nc(C(F)F)c(C=NO)c2Br)c(C)c1 2079951653 WDIWCAVIBASHKR-INIZCTEOSA-N 428.277 5.098 30 10 IKEE CC(C)c1ccc([C@H](C2CC2)n2nc(C(F)(F)F)c(C=NO)c2Br)cc1 2079988067 ZLHKOWVWQDUEOY-OAHLLOKOSA-N 430.268 5.595 30 10 IKEE CC(C)Oc1ccc([C@@H](C2CC2)n2nc(C3(C)CC3)c(C=NO)c2Br)cc1 2080057867 PLSRGDXJIWFSBA-GOSISDBHSA-N 432.362 5.292 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](Nc2ccc(C#N)c(Br)c2F)CC1 2133523301 BIHIKESBYSXDRW-UONOGXRCSA-N 426.330 5.098 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(C)c1Br)NCCC 2144180024 ILGMEPLYYHRIAX-RTBURBONSA-N 439.438 5.528 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)C[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1 2174481769 YNYVZAZQFPSYME-NAIAOIPJSA-N 433.346 5.040 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)C[C@H]2CCC[C@@](F)(C2)C1 2175556693 PJVYFDYWYOFDOM-RVHYNSKXSA-N 437.353 6.145 30 10 IKEE CCCCCCCCCCCC[S@](=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2195290372 YPTGZNOMCVLHJT-DFXYEROKSA-N 439.618 5.036 30 10 IKEE C#CC[C@H](C[C@H](NCC)c1cc(I)ccc1Br)C1CC1 2196856973 IMETXLAUKUQOEH-DYVFJYSZSA-N 446.170 5.144 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)cc1Cl 2222741515 WIOTYCGPFMNRAK-IRXDYDNUSA-N 431.802 5.613 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C 2235725030 GXIMMOGVFJOWST-RBUKOAKNSA-N 437.422 5.108 30 10 IKEE C[C@@H](N(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(C)(C)C 2247917135 IHJIYHNGNYXUBG-QGZVFWFLSA-N 427.419 5.124 30 10 IKEE N[C@@H](C#Cc1cccc(Br)c1)c1c(Br)cccc1Br 2278738417 VUBMDJXBGYNRNM-AWEZNQCLSA-N 443.964 5.026 30 10 IKEE CC(C)c1cc(Br)cc([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)c1 2280735539 FQMVPZKDDAFWEQ-HXUWFJFHSA-N 435.406 6.707 30 10 IKEE N[C@@H](C#Cc1ccc(Br)cc1)c1c(Cl)cc(Br)cc1Cl 2296220092 VADAXMDBPWIJQL-AWEZNQCLSA-N 433.958 5.570 30 10 IKEE O=C1ON=C(c2cccc([N+](=O)[O-])c2)C1=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2297577675 OPMLANDLXCWTHI-UHFFFAOYSA-N 434.835 5.172 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(OCCOc3cc(C)cc(C)c3)cc2)SC1=S 2297624653 XNLHFROSRDJQDC-UHFFFAOYSA-N 425.575 5.148 30 10 IKEE CN=C1SC(=Cc2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)N1C 2313556751 KDAUBMHQGSRBQR-UHFFFAOYSA-N 444.387 5.837 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)c4ccccc4Br)ccc3C2=O)cc1 2314437496 NWNHXICYRHKGHR-UHFFFAOYSA-N 449.300 5.847 30 10 IKEE O=C1N=C(NN=Cc2ccccc2)SC1=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 2314480789 SYJDLAVALMEKLP-UHFFFAOYSA-N 442.327 5.847 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CC2)cc1 2320869739 AMOVHHJNWOAQQC-UHFFFAOYSA-N 442.588 6.272 30 10 IKEE CCN(Cc1ccccc1)c1ccc(C=Nn2cnnc2SCc2ccccc2C)cc1 2321239363 KRRPEFJISMIABZ-UHFFFAOYSA-N 441.604 5.788 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1c[nH]c2ccc(OC)cc12 2321773147 KEXXHYBKNKVGJT-UHFFFAOYSA-N 439.972 5.548 30 10 IKEE Cc1cc(OCc2ccc(Cl)cc2Cl)cc2c1C(=O)C(=Cc1ccc(Cl)cc1)O2 2321784393 DTVIVRJDELEXFV-UHFFFAOYSA-N 445.729 7.150 30 10 IKEE Sc1nnc(-c2ccco2)n1N=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1 2321912029 RDYYKFMXRIUUJH-UHFFFAOYSA-N 445.331 5.595 30 10 IKEE CCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(Br)cc1)C3=O 2322040384 WXSGWIOQMDCQBR-UHFFFAOYSA-N 428.326 5.326 30 10 IKEE C[C@H](c1ccccc1)N1COc2ccc3c(c2C1)OC(=Cc1ccc(C(C)(C)C)cc1)C3=O 2322092471 RTGPPOZLOOKWBX-LJQANCHMSA-N 439.555 6.513 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc4c(c1)OCO4)O3)CN([C@H]1CCCC[C@@H]1C)CO2 2322153116 HBCCYXDBAPIPAX-KXBFYZLASA-N 433.504 5.071 30 10 IKEE CCc1ccc([C@@H](C)N2COc3ccc4c(c3C2)OC(=Cc2cccc(Cl)c2)C4=O)cc1 2322260215 VWWNCISNAMMJSN-QGZVFWFLSA-N 445.946 6.432 30 10 IKEE O=C(C=Cc1ccccc1OCc1ccc(Cl)cc1Cl)c1ccc2c(c1)CCCC2 2322328510 GBHQMFABUIWDKQ-UHFFFAOYSA-N 437.366 7.347 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc([N+](=O)[O-])cc1)C3=O)CN([C@H](C)c1ccccc1)CO2 2322371276 LCXUSBOJERAQKE-QGZVFWFLSA-N 442.471 5.433 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Br)cc(Br)c2OC)cc1C 2322415249 VHPKWWILMIFJDT-UHFFFAOYSA-N 440.131 5.433 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2c(OCC(=O)Nc3ccccc3)ccc3ccccc23)c1 2322617280 OQIYYIBQOQCEAQ-UHFFFAOYSA-N 435.523 6.370 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4ccccc4Br)cc(C)c3C2=O)cc1 2322711299 AAJCZAQXYQPECB-UHFFFAOYSA-N 449.300 5.901 30 10 IKEE Cc1cccc(COc2ccc(Br)cc2C=CC(=O)c2ccc(C(C)C)cc2)c1 2322732845 DGYXLHIUJCFENR-UHFFFAOYSA-N 449.388 7.356 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(Cl)cc2C=CC(=O)c2ccc(C)c(C)c2)cc1 2322899788 RLBKEWKTRGVINJ-UHFFFAOYSA-N 447.962 6.433 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3C)c(OC)c2)cc1 2323485589 CGTWQVQWQAYDME-UHFFFAOYSA-N 429.516 5.480 30 10 IKEE Cc1cc(OC(=O)c2cccc(OCC(C)C)c2)cc2c1C(=O)C(=Cc1ccccn1)O2 2323580396 IWWMQWXSRANWPF-UHFFFAOYSA-N 429.472 5.260 30 10 IKEE COc1ccccc1C=C1Oc2cc(OC(=O)c3ccc(OC(C)C)cc3)ccc2C1=O 2323812933 GHQWDMUMLYKWNM-UHFFFAOYSA-N 430.456 5.318 30 10 IKEE Cc1c(O[C@@H](C)C(=O)Nc2ccccc2Cl)ccc2c1OC(=Cc1cccs1)C2=O 2324392511 MHVVZCUKKRPINO-AWEZNQCLSA-N 439.920 5.732 30 10 IKEE Cc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O 2324406275 BFZLNRIGIUNWLD-LJQANCHMSA-N 425.484 5.573 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccc(F)cc1 2324455395 GDLQUGNMSXKHPE-UHFFFAOYSA-N 447.506 5.755 30 10 IKEE COc1ccccc1C=C1Oc2cc(O[C@@H](C)C(=O)Nc3cc(C)ccc3C)ccc2C1=O 2324455516 IJHAFBMKZBJRTM-SFHVURJKSA-N 443.499 5.334 30 10 IKEE COc1ccc(C=C(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c2ccccc2)cc1 2324495753 XOJXVYSUZKWMJJ-DEOSSOPVSA-N 436.536 6.236 30 10 IKEE COc1ccc(C=C(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c2ccccc2)cc1 2324495754 XOJXVYSUZKWMJJ-XMMPIXPASA-N 436.536 6.236 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)CCc3ccccc3C)c2)cc1OC 2325703995 OFHGURSFICCUFY-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC(=O)c3c(OC)cccc3OC)c2)cc1 2325711416 MNFXAQYOLMAKRP-UHFFFAOYSA-N 444.527 6.162 30 10 IKEE CCc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2cccc(C)c2)C3=O)cc1 2325723066 ZDVMOMLAWPYUBS-UHFFFAOYSA-N 427.500 5.500 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1cccc(C=CC(=O)c2cccc(Cl)c2)c1 2325728336 GPWJWAGKZVUGRE-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE CCN(CC)C(=O)COc1ccc2c(c1C)OC(=Cc1c(Cl)cccc1Cl)C2=O 2325743340 VLBMDWYNLUPMMR-UHFFFAOYSA-N 434.319 5.165 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)CCCOc3ccccc3Cl)c2)cc1C 2325760530 XSAIECXMRIUTOP-UHFFFAOYSA-N 448.946 6.618 30 10 IKEE CCCCCCC(=O)Oc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)ccc1OC 2325763818 WJDWUFVAEVNCFZ-UHFFFAOYSA-N 444.955 6.438 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1cccc(C=CC(=O)c2cc(Cl)ccc2Cl)c1 2325773582 BOLLRIHYYHZNGO-UHFFFAOYSA-N 429.274 6.177 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC)c3ccccc23)cc1OC(=O)C(F)(F)F 2325775134 XEUNMNTVXANOTO-UHFFFAOYSA-N 430.378 5.221 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1N=Cc1ccc(C)cc1 2325856734 OWXAVNKTNDSJSA-UHFFFAOYSA-N 448.636 6.056 30 10 IKEE Cc1nnc(SCc2cccc3ccccc23)n1N=Cc1c(C)n(C)c2ccccc12 2326637387 HQMRGPYUSCVIBN-UHFFFAOYSA-N 425.561 5.714 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2329568735 GPFSHMSPXALRBL-UHFFFAOYSA-N 448.335 5.711 30 10 IKEE Oc1ccc(C=Nn2c(SCc3ccccc3F)nnc2-c2ccccc2Cl)cc1 2329576817 JDBASGNIYAFZAC-UHFFFAOYSA-N 438.915 5.618 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cccn1C 2330129312 DMWYZPIQUDABNB-QGZVFWFLSA-N 435.984 5.596 30 10 IKEE Clc1ccc(CSc2nnc(CC3CCCCC3)n2N=Cc2ccc[nH]2)c(Cl)c1 2330292986 RPUXZDZRTXHOFT-UHFFFAOYSA-N 448.423 6.210 30 10 IKEE COc1ccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2-c2cccs2)cc1 2330584052 VNELSCHFZNFVEC-UHFFFAOYSA-N 434.590 5.807 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 2330620573 VQFVFHKTGQXZHV-UHFFFAOYSA-N 431.444 5.038 30 10 IKEE C(=Nn1c(SCCc2ccccc2)nnc1-c1ccccc1)c1cccc2ccccc12 2330676055 FQBZWBMGZPWPBX-UHFFFAOYSA-N 434.568 6.315 30 10 IKEE COC(=O)c1ccc(CSc2nnc(CC(C)(C)C)n2N=Cc2cccc(Cl)c2)o1 2330840404 LXDYDKGGWHZXCD-UHFFFAOYSA-N 446.960 5.074 30 10 IKEE C=C(C)CSc1nnc([C@H]2CCCO2)n1N=Cc1ccc(OCCCC)c(OCC)c1 2330953307 OWQZMHLCBMOSHI-HXUWFJFHSA-N 444.601 5.258 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)ccc1OC(=O)c1ccc(N(C)C)cc1 2330979712 SEYUXYYNNOBGIT-UHFFFAOYSA-N 445.515 5.275 30 10 IKEE CCCCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccccc2OC)cc1OC 2331076235 ZNCICQNQBIMCQI-UHFFFAOYSA-N 447.325 5.458 30 10 IKEE C=CCSc1nnc(CCCC)n1N=Cc1ccccc1OCc1ccccc1Cl 2331342973 JFFNMBSDKSSWOF-UHFFFAOYSA-N 441.000 6.013 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1ccc(Cl)cc1 2331448982 XSVGQAUXKLQCAS-UHFFFAOYSA-N 436.847 5.193 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(F)c3)cc2)cc1 2331451188 YNYCHHLIIMSPQD-UHFFFAOYSA-N 448.490 5.667 30 10 IKEE CCCCCOc1ccc(C=Nn2c(COC)nnc2SCc2ccc(F)cc2)cc1 2331554907 NPIDYBBWVALYGW-UHFFFAOYSA-N 442.560 5.307 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1 2331612360 LYQMYMPUHVMKEO-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)c1C 2331644451 CTCNVBAACYAKOB-UHFFFAOYSA-N 428.484 5.764 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)CC(C)(C)C)c(Cl)c2)c1 2331675102 YCLXOJJZXOEBTM-UHFFFAOYSA-N 444.955 6.375 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H](C)c3ccccc3)c(OC)c2)c(OC)c1 2331730033 MDXJFNKNCKAJTO-GOSISDBHSA-N 446.499 5.318 30 10 IKEE COc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2Cl)C2=C(CC(C)(C)CC2=O)N3)cc1 9597381 YVUYQXCLOWMDBF-FQEVSTJZSA-N 433.939 5.939 30 10 IKEE COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(Cl)ccc2O)c1 21230885 NKZHQCAMXFZPHM-YHAMSUFESA-N 446.934 6.034 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(CC)cc2)cc1 21234005 GRSFCMFKCAVMOE-KPURRNSFSA-N 438.571 6.627 30 10 IKEE CCOC(=O)/C(=N/Nc1cc(C(F)(F)F)ccc1Cl)N(CCC(C)C)CCC(C)C 33616753 QPJPYMLVGISYSL-DIBXZPPDSA-N 449.945 6.042 30 10 IKEE C=CCC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C1CC1 36304496 RTNKCNRXZROLDB-QHCPKHFHSA-N 447.579 5.273 30 10 IKEE Cc1c(/N=N/c2cccc(Br)c2)c(O)n(CCc2ccccc2)c(=O)c1C#N 39871516 HDYXSCZYUPNORU-OCOZRVBESA-N 437.297 5.155 30 10 IKEE C=C(C)C(=O)NCCCCCc1nc2ccccc2n1CCCCOc1ccccc1C 40219827 WFOYNYOLVOVCLZ-UHFFFAOYSA-N 433.596 5.609 30 10 IKEE COc1ccccc1/C=C1\Oc2c(ccc(OC(=O)c3ccc(C(C)(C)C)cc3)c2C)C1=O 41288396 BVOFSUBAKDACQP-JLPGSUDCSA-N 442.511 6.137 30 10 IKEE CCc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN([C@H](C)c2ccccc2)C4)cc1 41648079 XJDKMUFMYACTTF-MGKUZBKYSA-N 425.528 6.087 30 10 IKEE COc1cc(C(=O)/C(=C\c2cccc(Cl)c2)c2nc3ccccc3o2)cc(OC)c1OC 43685281 CEDGMPQHEBUTKF-LDADJPATSA-N 449.890 5.931 30 10 IKEE CC(C)(C)c1ccc(/C=N\N=C2\S/C(=C\c3cccnc3)C(=O)N2Cc2ccco2)cc1 47137714 PJNOLZRIJFFJPP-HTITUMPVSA-N 444.560 5.479 30 10 IKEE CCCCCCN(CCCCCC)CN1C(=O)/C(=N\c2cccc(C)c2C)c2ccccc21 59372670 OOWGYTXCFBBGDT-HYOGKJQXSA-N 447.667 7.191 30 10 IKEE CCCCCCCCCCCCCCCCCCNC(=S)N[C@@H]1CCS(=O)(=O)C1 59568211 YFEYADSGOQSFNV-JOCHJYFZSA-N 446.767 5.899 30 10 IKEE COc1ccc(Nc2nc(SC)nc(-c3ccc(OC)c(OC)c3)c2C#N)cc1Cl 62039754 HJFSWRHPUQEXMC-UHFFFAOYSA-N 442.928 5.160 30 10 IKEE CCCCCCCOc1ccccc1NC(=O)O[C@H](COCCC)CN1CCCCC1 95828105 MWPFSGMARWJGCQ-QFIPXVFZSA-N 434.621 5.865 30 10 IKEE CCCCCCCNCC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 100065889 JZUNXSPFCMGMBP-UHFFFAOYSA-N 435.490 5.456 30 10 IKEE CCCCCCCOc1ccc([C@@]2(CC)Nc3ccccc3C(=O)N2CCCOC)cc1 100136518 ZUXOWUXKYWDWLX-MHZLTWQESA-N 438.612 6.203 30 10 IKEE CCCC/C=C/CCCCCCCCCCCCCC1=C(OC)C(=O)C(C)=C(OC)C1=O 100179925 YUAATYHCINDNTB-CMDGGOBGSA-N 446.672 7.777 30 10 IKEE CCN(CC)c1ccc(/C=N/c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)cc1 100189340 KIPXLOZZHCLRHC-LGUFXXKBSA-N 433.577 5.035 30 10 IKEE CCCCCCCOc1ccc(NC(=S)NC(=O)c2cccc(O[C@@H](C)CC)c2)cc1 100258288 SEHCJFHLIHSGKS-IBGZPJMESA-N 442.625 6.340 30 10 IKEE O=C(/C=C/Nc1ccc(-c2ccc(N/C=C/C(=O)c3cccnc3)cc2)cc1)c1cccnc1 110032607 YHXPDHJDRWYOGT-HBKJEHTGSA-N 446.510 5.761 30 10 IKEE CCOc1cc(/C=N\n2c(S)nnc2CCc2ccccc2)cc(Cl)c1OC(C)C 169911310 RUGUBTUJIKWFDH-OYKKKHCWSA-N 444.988 5.074 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2cccc(F)c2)c1 169928892 OUICNLOPWRJRCO-HSZRJFAPSA-N 443.430 5.363 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2c[nH]c3ccccc23)cc1 170075657 BWHLFHOFBTZFSH-XMMPIXPASA-N 438.483 5.268 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccccc2C)cc1 170088487 FADJCMOZXUFMJP-XMMPIXPASA-N 438.483 5.268 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@@H]1c1ccccc1OC 170124915 DRQNDRGPINMZRR-NRFANRHFSA-N 443.927 5.126 30 10 IKEE CN(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C2CCCC2)cc1 170129892 QIHNHRCJEBDEKQ-RUZDIDTESA-N 444.575 5.152 30 10 IKEE Cc1ccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1C 170137230 LJWMQBXKOIDAPT-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccccn2)cc1 170171689 FYHHHUASJQSHKF-XMMPIXPASA-N 436.467 5.026 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccccc2)c1 170225906 DZFXUIAKLIVJOT-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2)c1 170231496 RCPNWVWZWREOOR-OAQYLSRUSA-N 425.912 5.260 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)cc(OC)c3o2)[C@H]1c1ccccc1 170232488 BSJKXJFZPZGLTA-HXUWFJFHSA-N 439.895 5.473 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(CCOC(C)C)[C@@H]1c1ccccc1C 170270600 VMSSZTIMUTXNDE-XMMPIXPASA-N 449.591 5.604 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccccc2C)c1 170271718 RKEZKOUIHSQHKG-DEOSSOPVSA-N 443.499 5.272 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccccc1C 170276711 AJZLLJYQOFPHQD-IBGZPJMESA-N 428.326 5.136 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C(C)(C)C)ccc3C)[C@@H]2c2ccco2)cc1C 170285064 KSLJAQPHNUVOHY-DEOSSOPVSA-N 443.543 6.285 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(C)c(C)c4)[C@@H]3c3ccco3)oc12 170285120 VHZRSAPGMPIMRS-JOCHJYFZSA-N 443.455 5.434 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccco2)cc1 170292963 VYBRJDFGOSLEIV-HSZRJFAPSA-N 446.503 5.022 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(C)o2)cc1C 170298217 BTOFVFIQAFPBBR-NRFANRHFSA-N 437.517 5.053 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)[C@H]1c1ccc(O)cc1)c1cccs1 170341532 VPUJEXIUSBDNOH-SFHVURJKSA-N 445.418 5.255 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(Cl)cc(Cl)c2)[C@@H]1c1cccc(O)c1)c1ccccc1 170386237 NEZGESZHNAMODC-HXUWFJFHSA-N 440.282 5.482 30 10 IKEE Cc1cccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2Cc2ccc(OCC(C)C)cc2)c1 170461401 RCZWKESHUBWMOZ-QHCPKHFHSA-N 435.564 5.541 30 10 IKEE COc1ccc2nc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3cccc(C)c3)sc2c1 170461938 KTBVKYAPVVXDFJ-NRFANRHFSA-N 436.533 5.129 30 10 IKEE CC(C)COc1ccc(/C=C2/SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)cc1 252622348 NTITWBAYXKMOTE-UYJNXHFOSA-N 442.584 6.526 30 10 IKEE C[C@]12CCCC[C@H]1CC[C@H]1[C@H]2CC[C@@]2(C)C(=O)/C(=C\c3ccc(Br)cc3)C[C@H]12 253562012 CTGFFXZZHKKDLF-LGSKJGEGSA-N 441.453 7.444 30 10 IKEE Cc1ccc2c(c1)S/C(=C1\C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]3(C)C1=O)S2 253622537 YMDSWPZYGHRYGY-VZZWHTAOSA-N 438.702 8.016 30 10 IKEE Cc1ccc(N=C2SCCCN2C(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)cc1Cl 254488806 JGQAOZIPUQAQIF-KILAXVPQSA-N 437.436 6.179 30 10 IKEE CCN1C(=O)/C(=C2\Sc3ccccc3N2C)SC1=Nc1ccc(C2CCCCC2)cc1 254874477 GZBNOXZWWFHUEE-CJKMRZRNSA-N 449.645 6.728 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1c(F)ccc(Br)c1F)NCCC 407403315 JTLRVISHGCSUSL-IRXDYDNUSA-N 447.364 5.107 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526607447 QQDDXPHNXAKSKO-DEOSSOPVSA-N 426.491 6.052 30 10 IKEE CCCOc1c(Cl)cc(/C=N\n2cnnc2SCc2ccccc2F)cc1OCC 526802449 HHEGARBIRKEUNZ-ROTLSHHCSA-N 448.951 5.433 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1cc(Cl)c(O)c(Cl)c1 526803294 UGCUONWHPYGPGJ-RMORIDSASA-N 439.343 5.557 30 10 IKEE Cc1cccc(CSc2nncn2/N=C\c2cccc(OCc3ccc(Cl)cc3)c2)c1 526808372 LYOPKEOJEJPEJE-VYYCAZPPSA-N 448.979 5.993 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1ccc(C(F)(F)F)cc1 526809159 WDEHPBAICCVKLL-WGARJPEWSA-N 432.515 6.122 30 10 IKEE Cc1cc(C)cc(CSc2nncn2/N=C\c2c(Cl)ccc(Cl)c2Cl)c1 526809870 PJMOEUNYVYBRCD-NYAPKIOYSA-N 425.772 6.030 30 10 IKEE CCOc1ccc(/C=N\n2c(CC)nnc2SCc2c(F)cccc2Cl)cc1OC 526817479 NTHZSDPQVFMCDC-MSXFZWOLSA-N 448.951 5.215 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccc(Cl)cc1Cl 526821511 WEAUSMGTIHITAE-MXAYSNPKSA-N 441.387 6.475 30 10 IKEE N#Cc1ccc(Cl)cc1NC(=O)Cc1csc2nc(-c3ccc(Cl)cc3)cn12 585167128 KQZWXFJXBREHOA-UHFFFAOYSA-N 427.316 5.422 30 10 IKEE Cc1ccc(C)c(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 586241388 OPMPTZOBPCTNRT-UHFFFAOYSA-N 445.371 5.877 30 10 IKEE C=CCSC1=NN2[C@H](C(=O)N1)c1ccccc1N[C@H]2c1cccc(Oc2ccccc2)c1 588229225 NYBKUWCZLAXXFC-XZOQPEGZSA-N 442.544 5.266 30 10 IKEE CCCCCCCCC[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 698497650 NKXMXBCWGFYZHU-FQEVSTJZSA-N 437.422 7.223 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2cc(Br)ccc2Cl)cc1 698852835 SNLQYBOBRDFSJW-GOSISDBHSA-N 435.749 6.417 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CC[C@@H]2COCC[C@@H]2C1 723663578 MQESSAIWQXGBFK-WHSLLNHNSA-N 435.362 5.290 30 10 IKEE CCOC(=O)c1ccc(-n2c(C)cc(C=Nc3cccc(Br)c3)c2C)cc1 1083971941 PXTNZWKXWOZPIX-UHFFFAOYSA-N 425.326 5.784 30 10 IKEE Cc1cc(/C=C2\SC(=Nc3ccc(F)cc3)NC2=O)c(C)n1-c1ccccc1Cl 1084070038 SCHXCBFVPZENIY-NDENLUEZSA-N 425.916 5.778 30 10 IKEE N#Cc1c(NC(=O)C2CCN(c3ncccn3)CC2)oc(-c2ccccc2)c1-c1ccccc1 1177120562 FBMOZWRTIIVCEM-UHFFFAOYSA-N 449.514 5.130 30 10 IKEE C[C@@H]1C/C(=N/c2ccc(F)cc2)c2cc(F)ccc2N1C(=O)c1cccc(C(F)(F)F)c1 1615946488 NJXNDPFUYSEFGK-QAHKSRLISA-N 444.403 6.543 30 10 IKEE Cc1c(CO/N=C(/CCC(F)=C(F)F)c2ccc(Cl)cc2)cccc1-c1ccccc1 1616046922 WEWYHCAIBUXCKS-KRUMMXJUSA-N 443.896 8.094 30 10 IKEE C=CCOc1ccccc1/C=C1/SC(=Nc2nc(-c3ccccc3)cs2)N(C)C1=O 1772738776 OYVSEQOSWGYODU-SKYIDQJDSA-N 433.558 5.609 30 10 IKEE Fc1ccc(-c2nn(-c3ccccc3F)cc2/C=N\NC(=S)Nc2ccccc2)cc1 1857811131 YUDIVJSDRLHMNA-WGARJPEWSA-N 433.487 5.138 30 10 IKEE Cc1ccc(-n2cc(/C=N\NC(=S)Nc3cccc(F)c3)c(-c3cccs3)n2)cc1 1857811970 MFJJROABWQCCCP-CFRMEGHHSA-N 435.553 5.369 30 10 IKEE N#Cc1ccc(COc2cccnc2NC(=O)N(Cc2ccccc2)c2ccccc2)cc1 1858827546 PCEBXEWEHHUWGY-UHFFFAOYSA-N 434.499 5.771 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)c1ccc(OC)cc1OC)[C@@H](C)CC 1861063004 GAUDKPJBCJZISW-WMZHIEFXSA-N 434.621 5.105 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2cccc(O)c2)cc1C 1862401186 VQYIKFRXICRQKT-OSPHWJPCSA-N 443.499 5.049 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1862445166 PZBAAMYDWBGZNG-FPTDNZKUSA-N 449.890 5.091 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 1862533302 IQXWIXQTLQXSTG-RUZDIDTESA-N 440.543 5.094 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862533488 LMAALVUXNHHCDM-QFIPXVFZSA-N 436.508 5.316 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(OCCC)cc1 1862536817 IIICPSHRSFKBNK-XMMPIXPASA-N 435.564 5.806 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CCC(C)C)cc1 1862579920 BYFWKIVAJMOUPM-FQEVSTJZSA-N 432.347 5.926 30 10 IKEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(C)cc1 1862613476 IPAAZAHGQYOMFG-DEOSSOPVSA-N 448.607 5.213 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccc1 1862648461 BOTCHUOCKVOTRH-BKMJKUGQSA-N 441.571 6.777 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1[C@@H](C)c1ccccc1 1862648559 FHJVFAVHOMDIDN-DCFHFQCYSA-N 447.534 6.488 30 10 IKEE COc1cc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CCCC2)ccc1O 1862666047 UPKQUCUZSMXEOF-QHCPKHFHSA-N 435.520 5.045 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 1862675416 KKIDVJFXXRXBBM-NRFANRHFSA-N 439.845 5.397 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862736982 QPHYXQAXBRKLFL-SBUREZEXSA-N 442.471 5.243 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 1862737636 ZCAIRFRASXVGCI-JOCHJYFZSA-N 432.476 5.064 30 10 IKEE Cc1cc(C)cc(NC2=C(c3cccc4ccccc34)C(=O)N(c3ccccc3C#N)C2=O)c1 1862854094 LNYBXTZRQMMEAR-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc4ccccc4c3)C2=O)cc1 1862890108 UEGFKCXGKMVNFH-UHFFFAOYSA-N 429.479 5.417 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccccc2[N+](=O)[O-])C1=O 1863238129 HYERJVXEYNXKDV-LJQANCHMSA-N 446.507 5.017 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2F)C(=O)N(Cc2ccco2)C1=O 1863640284 GISHRORTATVATQ-UHFFFAOYSA-N 426.532 5.429 30 10 IKEE COc1ccc(-c2ncccc2C(=O)Nc2ccc(C#N)cc2C(=O)c2cccc(C)c2)cc1 1866165795 SBKQGQYSSUILPO-UHFFFAOYSA-N 447.494 5.421 30 10 IKEE CC(C)c1nc(Nc2cccc(C#N)c2)cc(N2C[C@H](c3ccc(F)cc3)O[C@H](C)C2)n1 1868221456 MTLMIJWOCQVYLR-VGOFRKELSA-N 431.515 5.321 30 10 IKEE CCCCCCCCn1cc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(=O)cc1C 1870090761 BRRIMKFTRGZMDR-UHFFFAOYSA-N 438.490 5.554 30 10 IKEE CCCCCCCOc1cn(CCCCN(CC)CC)c(CN2CCCCCC2)cc1=O 1870411468 AHGRZGBJKYCABL-UHFFFAOYSA-N 447.708 5.696 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(Cl)cc1Cl)O3)CN(CCCN(C)C)CO2 1871346314 YXUYMWUFLBAGQU-JMIUGGIZSA-N 447.362 5.022 30 10 IKEE CCOc1ccc(CCC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccco2)C3=O)cc1OC 1871369089 YOALOAMKWPLLCQ-UCQKPKSFSA-N 448.471 5.150 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(/C=C/C(=O)O)cc4)cc(C)c3C2=O)cc1 1871381679 BVEOJPGYZVUOCR-FDTILGBMSA-N 440.451 5.237 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)c1 1871388543 BOBRGBZYJJCDCR-QRVIBDJDSA-N 432.859 5.740 30 10 IKEE CCCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)c1 1871390912 GGHZVHXZPONEOE-UCQKPKSFSA-N 446.430 5.367 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCCc4ccccc4)cc(C)c3C2=O)c(OC)c1OC 1871400320 WEKUWLFXPABGLV-HAHDFKILSA-N 446.499 5.259 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OCc3ccc(C(=O)OC(C)C)cc3)c2C)C1=O 1871415386 ZFNRUMURMGMAOR-MYYYXRDXSA-N 442.511 6.064 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O)Nc1cccc(C(F)(F)F)c1 1871417493 AZTPNKXAEQTRRR-NHDPSOOVSA-N 439.389 5.339 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 1871434997 XDSFGJUVJNHAHH-KEDSGYKESA-N 434.532 6.140 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccccc1Cl)C2=O 1871453496 BGHHOSYAPIXPIW-XKZIYDEJSA-N 433.891 5.591 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1ccco1)C2=O)Nc1ccc(Cl)c(Cl)c1 1871458285 UGKAPQZRMYYNPX-GRSHGNNSSA-N 430.243 5.220 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(Cl)cc1)[C@H](C)CC)S(=O)(=O)c1cccs1 1871893208 SNUQSZWIXCDEJL-BEFAXECRSA-N 441.018 5.022 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(CC)cc1)[C@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872098686 PBDMRMFZFYKRCD-NTKDMRAZSA-N 442.625 5.096 30 10 IKEE C=C(C)CN([C@H](CC)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1cc(C)ccc1C 1872460513 JIFSPIIIAFVCFK-OAQYLSRUSA-N 449.016 5.249 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3Br)n2)cc1OC 1872761190 IBFBZJDPBXOUPH-CQSZACIVSA-N 443.322 5.080 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@H](C#N)C(=O)COc2ccc(C)c(C)c2)n1 1872786712 QHEZMTAJRAPSCS-GOSISDBHSA-N 440.952 5.653 30 10 IKEE N#C[C@@H](C(=O)Cc1ccc(Br)cc1)c1nc(-c2ccc(Cl)s2)cs1 1872789767 UQBPFTLBFZGVDZ-LBPRGKRZSA-N 437.771 5.706 30 10 IKEE CCCCCCCSc1nc2ccc(C(=O)N3CCC(C(=O)OCC)CC3)cc2[nH]1 1872824226 ZGGANJJQVAQGFL-UHFFFAOYSA-N 431.602 5.041 30 10 IKEE COc1ccc(C)cc1NC(=O)c1ccc(CSc2nc(C)c(C)c(C)c2C#N)cc1 1872895128 DFGDNTNVWPXJJI-UHFFFAOYSA-N 431.561 5.740 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCC)=C(c2ccccc2Br)C1=O 1873067557 IDAOHEWTASKDQG-UHFFFAOYSA-N 449.433 5.669 30 10 IKEE C=CCN=c1nc2c(cnn2-c2ccccc2)c(Nc2cc(C(F)(F)F)ccc2Cl)[nH]1 1873469739 FKODXYBCKPBMPO-UHFFFAOYSA-N 444.848 5.251 30 10 IKEE Cc1ccccc1CSc1nncn1/N=C/c1cccc(OCc2cccc(Cl)c2)c1 1873501729 LUTNVGYVEXGKFJ-MZJWZYIUSA-N 448.979 5.993 30 10 IKEE C=CCn1c(C(=O)Nc2cc(Cl)ccc2C)cc2c(NCCCOC(C)C)ncnc21 1873628565 ILWMVYJGAVLFLQ-UHFFFAOYSA-N 441.963 5.058 30 10 IKEE CCCCCCc1c(C)c2ccc(O[C@H](C)C(=O)Nc3ccccc3C#N)c(C)c2oc1=O 1873866300 AWJPVQMKDCXPSW-LJQANCHMSA-N 446.547 5.810 30 10 IKEE CN1C(=O)C[C@H](C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1c1cccc(F)c1 1874181146 JHXOIHZCQPTMSE-RDJZCZTQSA-N 448.338 5.021 30 10 IKEE CCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1cccc(OC)c1O 1874244388 CLIOOBQPRHWKBD-MFKUBSTISA-N 440.613 5.136 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1cn(C)c2ccccc12 1874249502 BQYWQRHSQCYVRU-YZSQISJMSA-N 445.592 5.250 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccc(C(C)C)cc1 1874264760 NVHXIOFFRSXOMD-ZVHZXABRSA-N 426.973 5.794 30 10 IKEE Cc1ccccc1CSc1nnc(COc2c(C)cccc2C)n1/N=C/c1cccn1C 1874297710 PZWHWKZELGZDQT-CVKSISIWSA-N 445.592 5.295 30 10 IKEE COc1ccc(CCc2nnc(SCc3ccccc3C)n2/N=C/c2ccccc2)cc1 1874306033 CDFOTNCQJCKOJP-OVVQPSECSA-N 442.588 5.555 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3)n2/N=C/c2ccc(F)cc2)c1 1874402908 OKDWYXFDOFENPI-OGLMXYFKSA-N 444.579 5.994 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC3CCCCC3)n2/N=C/c2sccc2C)c1 1874408336 QXFAYBDXUALCTO-MFKUBSTISA-N 438.666 6.562 30 10 IKEE Clc1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2cccs2)cc1Cl 1874422349 HMXKFAUJEGUMMM-FSJBWODESA-N 445.400 6.488 30 10 IKEE CCOc1cc(/C=N/n2c(SC)nnc2C2CCCC2)ccc1OCc1ccccc1 1874451924 VJRDGOVEWHCELM-PCLIKHOPSA-N 436.581 5.518 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2-c2ccco2)c1 1874466882 HFZPZWFRMNWPSJ-MFKUBSTISA-N 432.549 5.728 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(SCc2cccc(C)c2)nnc1C(C)C 1874512562 DIMNOKIMYLQKMT-CVKSISIWSA-N 430.577 6.046 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccccc1C(=O)O 1874517032 JQGAOCQJNAGUJA-AUEPDCJTSA-N 449.363 5.581 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CC2)cc1 1874523614 XTKOKHADCOSSET-FOKLQQMPSA-N 433.364 5.645 30 10 IKEE CCCCCOc1ccccc1/C=N/n1c(S)nnc1CCc1ccc(Cl)cc1 1874565907 BPDJCMBTRONYSP-LFVJCYFKSA-N 428.989 5.457 30 10 IKEE COC(=O)c1ccc(COc2ccc3ccccc3c2/C=C/C(=O)c2ccc(F)cc2F)o1 1874576814 HPFBBZUGRJXGDA-ZHACJKMWSA-N 448.421 5.973 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccccc1OCC(=O)Nc1cccc(C)c1 1874589707 ZGQTUFUQHPQPEU-VAWYXSNFSA-N 449.934 5.879 30 10 IKEE CCOC(=O)c1ccc(COc2c(/C=C/C(=O)c3c(C)cc(C)cc3C)cccc2OC)o1 1874589959 LTLWVZIJEZCNOX-ZRDIBKRKSA-N 448.515 5.865 30 10 IKEE CCCNC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1cc(Cl)ccc1Cl 1874591316 FAMSXYZPARVNML-PKNBQFBNSA-N 442.342 5.948 30 10 IKEE Cc1ccccc1NC(=O)COc1cccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1 1874600862 HGRTWKAVLIJXNM-FMIVXFBMSA-N 440.326 6.215 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OCC(=O)Nc1ccccc1C 1874612944 UAFHVNBGYBNVQX-YRNVUSSQSA-N 437.442 5.195 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OCC(=O)Nc1cccc(C)c1 1874613306 NQSVTZOUZXDRNV-ZRDIBKRKSA-N 449.934 5.961 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)cc1 1874613611 DGRVTONVLQZPHA-NTEUORMPSA-N 436.935 6.531 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OCc3cc(C)ccc3C)cc2)c1 1874630775 UDNAUHABOSLPQA-RVDMUPIBSA-N 430.544 6.576 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)CCc3ccc(Cl)cc3)c2)cc1 1874694322 XIHSWEBGJITOKH-OVCLIPMQSA-N 448.946 6.345 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OC(=O)Cc1ccc(F)c(C)c1 1874700806 NRRXMMLKNCGQLU-NYYWCZLTSA-N 438.882 5.840 30 10 IKEE Cc1cc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(-n4cccc4)cc3)c2)ccc1F 1874703780 HJHXVDQEWCFDAK-VGOFMYFVSA-N 425.459 6.040 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccccc3C)c2)c1 1874704232 DGQFTUJZQISDRZ-FMIVXFBMSA-N 432.472 5.136 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(F)cc3F)c2)c(OC)c1 1874714096 DEVGOLCMLMWISV-IZZDOVSWSA-N 438.426 5.026 30 10 IKEE CCc1ccccc1OCC(=O)Oc1cccc(/C=C/C(=O)c2c(C)cc(C)cc2C)c1 1874716126 CDEYLBJADRGPRO-BUHFOSPRSA-N 428.528 6.055 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc(-c4ccccc4)cc3)c2)c(C)c1 1874716201 GWSLWSAIXQJSTA-SFQUDFHCSA-N 446.546 7.394 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)cc1 1875085239 WISRQMUVUMTKEI-PKNBQFBNSA-N 435.863 5.601 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(C)=O)c(OC)c2)cc1OCCC 1875123845 HGHZFFFCDGBKTC-VQHVLOKHSA-N 446.927 5.748 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)c1ccc(C)cc1 1875125461 KJDVWEPUONFVAF-OVCLIPMQSA-N 446.930 6.501 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)c(Cl)c3)cc2)c1 1875134140 LJOAPUCZIOIACG-BJMVGYQFSA-N 425.311 6.726 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1OC 1875148456 DXTPFMZEXYOIFJ-NTEUORMPSA-N 428.956 6.638 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1Cl 1875149902 NILDVLISCYFKBX-RMKNXTFCSA-N 436.847 5.193 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)c3ccccc3)cc2)cc1C(C)C 1875162652 JWADMWLWABILFT-RDOKFVIMSA-N 442.555 6.732 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1 1875165323 IJAIJCNOJUJQAB-KGENOOAVSA-N 428.528 7.251 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(N(C)C)cc3)cc2)c1C 1875168876 YOGCLRHABMGHRL-CXUHLZMHSA-N 427.544 6.102 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OC(=O)[C@@H]1CCCO1 1875169884 CTGCMWBIGITJCX-LCJITAHGSA-N 448.559 5.638 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Br)c1OC(=O)C1CCC1 1875176523 HWDQTEOJBCAQPC-CSKARUKUSA-N 443.337 5.676 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)CCSc3ccc(Cl)cc3)cc21 1891710653 IOLHQBNMBDGESQ-UHFFFAOYSA-N 444.984 5.399 30 10 IKEE Cc1ccc(Nc2nc(C)cc(Nc3ccc(NC(=O)c4ccc(C)c(C#N)c4)cc3)n2)cc1 1891866538 NYUVJVSWTSWUKM-UHFFFAOYSA-N 448.530 6.013 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 1922084911 DLKMXHLOOCZGRN-NOZRDPDXSA-N 436.596 5.667 30 10 IKEE C=C(COCc1ccccc1)C(=O)[C@H](O)c1ccc(-c2ccc(Br)cc2)s1 1922097378 AGNQLRIAFMEQLS-JOCHJYFZSA-N 443.362 5.553 30 10 IKEE C=C[C@@](CCC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1927495986 UEGBQWSBEJRFDH-MHZLTWQESA-N 427.500 5.471 30 10 IKEE C=C1C[C@H]2CC(NCCCONC(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H](C1)C2 1937200268 XYNRIIJKJHUSRU-CBQGHPETSA-N 446.591 5.571 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)c1 1949489999 RQFXOYNRSKFVQO-KHCICDEESA-N 427.545 5.028 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@H](COc1cc(C#N)cc(Cl)n1)C1CC1 1986476212 VZNPDHDPLUOHLY-LJQANCHMSA-N 427.932 5.201 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@]2(CC[C@@]2(C#N)N(C(=O)OC(C)(C)C)C2CCCC2)C1 2013353827 FVQDKGLAASMWGU-RPWUZVMVSA-N 433.593 5.240 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@](C)(C#N)C(C)(C)NC(=O)OC(C)(C)C 2020525230 YUXGJNCOTROCKF-QHCPKHFHSA-N 433.549 5.022 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@]2(C)CCCN2C(=O)OC(C)(C)C)cc1 2020804715 RZAFPXFMWCSPMA-NTKDMRAZSA-N 429.561 5.418 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(Cc3ccccc3)[C@@H](C)C2)c1 2037524447 AXIHTUTXLNSUBH-FNZWTVRRSA-N 435.568 5.384 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)[C@@H]2CCCC[C@H]21 2058930098 QLEJZBJUFGRGAJ-FHAGJXEFSA-N 447.620 5.628 30 10 IKEE C=C(C(=O)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(C)(C)C 2071350076 VEAIPNZPLJTCQI-MHZLTWQESA-N 430.544 6.049 30 10 IKEE C[C@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)(F)F)c(C(=O)O)c1Br 2079972071 PRTQCFWJZNCQAI-RXMQYKEDSA-N 449.120 5.130 30 10 IKEE N#Cc1c(C2CCC2)nn([C@H](c2ccc(C(F)(F)F)c(F)c2)C2CC2)c1Br 2080004116 WHEXELJEZOHPHF-KRWDZBQOSA-N 442.254 5.942 30 10 IKEE Cc1cc(C)c([C@H](C(C)C)n2nc(C3CCC3)c(C#N)c2I)c(C)c1 2080011642 CZQHRYCTMMGFGN-FQEVSTJZSA-N 447.364 5.798 30 10 IKEE CCCOc1ccc([C@H](C2CC2)n2nc(C(F)(F)F)c(C#N)c2Br)cc1 2080078248 QKUADRVTWAPGKU-HNNXBMFYSA-N 428.252 5.324 30 10 IKEE N#Cc1c(C(F)(F)F)nn(Cc2ccc(C(F)(F)F)cc2Br)c1Cl 2080280720 CFRXSAWVFDYXJO-UHFFFAOYSA-N 432.549 5.257 30 10 IKEE N#Cc1c(C2CCCCC2)nn(Cc2cc(C(F)(F)F)ccc2F)c1Br 2080307811 LYGNENYKFGRCCO-UHFFFAOYSA-N 430.243 5.771 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)c(C)n1 2100784847 SDXNOQJLDMZHHN-AEFFLSMTSA-N 426.399 5.053 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)C[C@@H]2CCCC[C@@]2(C)C1 2154232082 JNJZTAFURVSZHY-WQTXXOFMSA-N 433.390 6.443 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(C#N)c(Br)c2F)[C@@H]1C(C)(C)C 2192488500 QDOPPEMWFJTRHC-RHSMWYFYSA-N 440.357 5.296 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1sc(C)c(Br)c1C 2219016558 DJTYYBMLIHPELK-GOEBONIOSA-N 429.424 5.085 30 10 IKEE C=CCCCCCCC[C@H](NC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2235533155 RLPBSFLGQXSBTC-FQEVSTJZSA-N 439.438 6.973 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1c(F)cccc1I 2247958292 MNIWLJJLTXRPRQ-FQEVSTJZSA-N 439.312 5.244 30 10 IKEE CCCCCCC[C@@H](C)NC1CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C1 2250304775 KFTWRIFIDVABGQ-LJQANCHMSA-N 441.657 5.181 30 10 IKEE CCN[C@H](CC#CC1CCCC1)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2251481772 WKOOWROGVSYEQP-RPWUZVMVSA-N 428.617 5.048 30 10 IKEE C=C(C)CC[C@@H](OCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2275338177 KSLQBINSPTZGPT-RUZDIDTESA-N 446.543 6.343 30 10 IKEE N[C@@H](C#Cc1ccc(Br)cc1)c1ccc(Br)c(Br)c1 2278810801 BXMNIXMSBLWKSF-HNNXBMFYSA-N 443.964 5.026 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)c1c(F)cc(C)cc1Br 2292212887 OPJWEAQGGVMMAI-OAQYLSRUSA-N 437.305 5.202 30 10 IKEE O=C1C(=Cc2cc3cc(Br)ccc3o2)Oc2c1ccc(O)c2CN1CCCC1 2293035059 XQSFMPSDTNVLTQ-UHFFFAOYSA-N 440.293 5.113 30 10 IKEE O=C1C(=C2Cc3ccccc3N2)c2ccc(Br)c3c(Br)ccc1c23 2293308657 QWCRGDPYXUXUGC-UHFFFAOYSA-N 441.122 5.940 30 10 IKEE CCN1C(=O)C(=C2Sc3ccc(Cl)cc3N2CC)SC1=Nc1ccc(C)cc1O 2295201877 KHCCQYHRDHALJV-UHFFFAOYSA-N 445.997 5.738 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1CC[C@H](O)C#Cc1ccc(Br)cc1 2296275092 XTDPNFWENIZOPP-DFQSSKMNSA-N 436.390 5.025 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)c1ccc(CNC(=O)OC(C)(C)C)s1 2296290724 GXGWSKKBHFYBFV-GOSISDBHSA-N 449.414 5.238 30 10 IKEE CN[C@@H](C#Cc1ccc(Br)cc1)CCCCCCCNC(=O)OC(C)(C)C 2296307463 UVZZJVUTYVVKCK-HXUWFJFHSA-N 437.422 5.254 30 10 IKEE COc1ccc(OC)c(C=C2SC(=Nc3c(C)cccc3C)N(c3ccccc3)C2=O)c1 2296739278 OLVQEPYPKVCBKT-UHFFFAOYSA-N 444.556 6.129 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1C[C@@H]2CC[C@H]1CN(C(=O)OC(C)(C)C)C2 2312353079 WECCNIGSQRRFOR-OJJQZRKESA-N 442.644 5.411 30 10 IKEE O=C(C=Cc1cccc(NC(=O)c2ccccc2-c2ccccc2C(=O)O)c1)c1ccccc1 2313518347 SMVIWOQBEVIMMO-UHFFFAOYSA-N 447.490 6.200 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)c(OC)c1 2314429881 QWFNHVFYOBQIDZ-UHFFFAOYSA-N 444.527 6.117 30 10 IKEE C=CCN1C(=O)C(=C(C)c2ccc(Br)cc2)SC1=Nc1cccc(C)n1 2314540500 RJDTVPHNVCXSHH-UHFFFAOYSA-N 428.355 5.333 30 10 IKEE C=CC[C@H]1CCC[C@H]1NCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2315454434 XASQOXYWYQROKR-RRPNLBNLSA-N 427.588 6.679 30 10 IKEE COc1cc(OC)c(OC)cc1C=C1Oc2c(ccc(OCc3ccccc3C)c2C)C1=O 2321742542 VFGCUFSLGZDINI-UHFFFAOYSA-N 446.499 5.524 30 10 IKEE CCCCC[C@@H](CC)N1COc2cc(C)c3c(c2C1)OC(=Cc1cccc(OC)c1)C3=O 2322072621 GMUWYRXCCRHUOJ-HXUWFJFHSA-N 435.564 6.131 30 10 IKEE CCN(CC)CCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(C)cc1)C3=O 2322123000 WKUNPZLVRYHINL-UHFFFAOYSA-N 434.580 5.194 30 10 IKEE C[C@H]1CCCC[C@@H]1N1COc2ccc3c(c2C1)OC(=Cc1c(Cl)cccc1Cl)C3=O 2322145986 INXISPLBRNCVQG-XOBRGWDASA-N 444.358 6.340 30 10 IKEE COc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN([C@H]2CCCC[C@H]2C)C4)c(OC)c1 2322146144 GXVCSHURXFCNNR-IERDGZPVSA-N 449.547 5.359 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc3c2CN(Cc2cccc(Cl)c2)CO3)C1=O 2322211692 HGRANIKYCUUGOR-UHFFFAOYSA-N 433.891 5.317 30 10 IKEE CCc1ccc([C@@H](C)N2COc3c(cc4c(c3C)OC(=Cc3ccc(F)cc3)C4=O)C2)cc1 2322455531 ZPBYKAWOIBSORU-GOSISDBHSA-N 443.518 6.226 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2nc(O)c3ccccc3n2)cc1 2322596032 RDXAUXNLXZCJEM-UHFFFAOYSA-N 430.891 5.772 30 10 IKEE Cc1cc(OC(=O)c2cccs2)cc2c1C(=O)C(=Cc1ccc(Br)cc1)O2 2322667304 DOZAYIAQELVXEL-UHFFFAOYSA-N 441.302 5.654 30 10 IKEE COc1cc(Br)cc(C=CC(=O)c2ccc(F)cc2)c1OCc1ccccc1 2322748523 QMRSWKDDSFLAFL-UHFFFAOYSA-N 441.296 6.072 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccccc2OCC(=O)NCc2ccco2)cc1C(C)C 2322788525 MOLBDHYMBLONGS-UHFFFAOYSA-N 447.531 5.311 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cc(Br)ccc2OCCO)cc1C(C)C 2322792130 ZPYQPJCKSLXPRL-UHFFFAOYSA-N 433.342 5.157 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2c(OCCCO)ccc3ccccc23)cc1Cl 2322969383 UFRZOFDPVBHFPS-UHFFFAOYSA-N 431.315 5.813 30 10 IKEE Cc1ccc(NC(=O)COc2cccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)c2)c(C)c1 2323046743 SCNWVENIYOKLSY-UHFFFAOYSA-N 430.460 5.125 30 10 IKEE O=C(C=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccc([N+](=O)[O-])cc1 2323098266 LDGDNVQNYDJXHI-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O 2323169179 LPEFCJJDFUNHOZ-UHFFFAOYSA-N 432.447 5.515 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1cc(C)c2c(c1)OC(=Cc1ccncc1)C2=O 2323176524 HZSTYPOFSDGBDQ-UHFFFAOYSA-N 429.472 5.079 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC)c(OCc3cccc(Cl)c3)c2)c1 2323177306 YCUJIABPNDYCJZ-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE CCOc1ccc(CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2323370920 GLZNXYUQPVZVEQ-UHFFFAOYSA-N 448.902 5.811 30 10 IKEE C=CCOc1c(Br)cc(C=CC(=O)c2ccc(CCCC)cc2)cc1OCC 2323556827 VZRMITVMYZAERM-UHFFFAOYSA-N 443.381 6.651 30 10 IKEE Cc1cc(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc2c1C(=O)C(=Cc1cccs1)O2 2323701747 PBCPYRJRVLCLII-UHFFFAOYSA-N 441.848 5.454 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Cl)c1OCc1ccccc1C 2323719623 LUWAHBRYNTZPEO-UHFFFAOYSA-N 428.862 6.410 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(OC)cc2)C3=O)cc1 2323858677 ZZXVLDCATXRSFU-UHFFFAOYSA-N 428.440 5.095 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)ccc1OCc1cc(C)ccc1C 2324044649 MNSIXABKNNEFLS-UHFFFAOYSA-N 444.527 5.948 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1Cl 2324608465 VIQCMDRNSURPDQ-UHFFFAOYSA-N 439.870 5.401 30 10 IKEE O=[N+]([O-])c1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccccc2)cc1 2325448482 JEMLEVUITLORBF-UHFFFAOYSA-N 443.532 5.146 30 10 IKEE COc1cccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2)c1OC 2325481545 JAJYTDGRJMSPAW-UHFFFAOYSA-N 444.560 5.061 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccc(Cl)cc4)c3C)C2=O)cc1 2325513351 UENOJHPVYXNWHR-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(OCC(=O)Nc3cccc(Cl)c3)c2C)C1=O 2325717585 RMWBVOZBFSYAGH-UHFFFAOYSA-N 439.920 5.652 30 10 IKEE O=C(Oc1cccc(C=CC(=O)c2ccccc2Cl)c1)c1ccc2cc(Cl)ccc2n1 2325718029 OXBXRLCVLJVWGJ-UHFFFAOYSA-N 448.305 6.657 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2OC)cc1OC(=O)COc1c(C)cccc1C 2325723374 COKIOCOCRJYXBS-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1OC(=O)c1c(F)cccc1Cl 2325727611 DXLMGJCGWXZKBH-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2cccc(C=CC(=O)c3ccc(Cl)cc3)c2)cc1 2325730365 PGPFOQQVOPGLTJ-IBGZPJMESA-N 448.946 6.732 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3cccc4ccccc34)c2)cc1 2325734485 LHVXVCCODJXCNP-UHFFFAOYSA-N 436.507 6.283 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OCC(=O)Nc4cccc(C)c4C)c3C)C2=O)c1 2325738079 DEGDIDDUOXQZPM-UHFFFAOYSA-N 443.499 5.254 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(Cl)c(Cl)c3)c2)cc1C 2325760377 NXTKEOJLTUVXMD-UHFFFAOYSA-N 439.338 6.654 30 10 IKEE C[C@@H](C(=O)Oc1cccc(C=CC(=O)c2cc(Cl)ccc2Cl)c1)c1ccccc1 2325774559 JQLFUDQQXSQLKT-MRXNPFEDSA-N 425.311 6.599 30 10 IKEE CCCCOc1ccc(C=Nn2c(CC34CC5CC(CC(C5)C3)C4)nnc2SC)cc1 2326867944 BQEXBLJDKNOWFS-UHFFFAOYSA-N 438.641 5.820 30 10 IKEE C(=Nn1c(CC23CC4CC(CC(C4)C2)C3)nnc1SCc1ccccc1)c1cccnc1 2326911309 ZNNAOLKPOQOXOY-UHFFFAOYSA-N 443.620 5.607 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)cc2C)n1N=Cc1cc(Cl)ccc1O 2328897914 VJDFUUKLEAOUOU-UHFFFAOYSA-N 442.972 5.383 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C=Cc1ccc(C)cc1 2330317817 ZPYADQLSYFXIGT-HHHXNRCGSA-N 448.651 5.993 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2-c2cccs2)cc1 2330599645 JDUZTRMJDXSSDE-UHFFFAOYSA-N 440.981 5.843 30 10 IKEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC(=O)c1cccc(C)c1 2330623949 WNWRDHQGQIBNJL-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)cc2)c(Cl)c1)c1ccc2c(c1)CCCC2 2330682890 XCPLQRSVHCGOMV-UHFFFAOYSA-N 434.894 6.473 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1Cl)c1ccccc1 2330807582 HETWEWWNNLALTE-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE CCSc1nnc([C@@H]2CCCO2)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2330944229 ZNKFJHYAAKRQNE-FQEVSTJZSA-N 442.972 5.356 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@@H]3CCCO3)n2N=Cc2ccc(F)cc2F)c1 2330961487 DDDWIHYFPLBMIH-FQEVSTJZSA-N 428.508 5.199 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)ccc1OC(=O)c1ccc(CC)cc1 2330979726 UTYVCMQLCCCUNL-UHFFFAOYSA-N 430.500 5.772 30 10 IKEE Cc1ccc(C=Nn2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2C2CCCC2)cc1 2331025512 FKHRJZGHAKAQAL-UHFFFAOYSA-N 447.608 5.474 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCCC3)n2N=Cc2ccc(C(=O)O)cc2)c1 2331071810 WBXWFGQHBVEJMF-UHFFFAOYSA-N 434.565 5.425 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1cc2ccccc2n1C 2331158141 YCXBOPVNIBGWDA-UHFFFAOYSA-N 445.902 5.956 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)C3CCCC3)c(OC)c2)cc1 2331294101 PSJRWMIUDZKARD-UHFFFAOYSA-N 442.939 6.129 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccccc3[N+](=O)[O-])c(Cl)c2)c1 2331320180 UCHSRGMFAAFTDR-UHFFFAOYSA-N 435.863 5.980 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(OCC)c(OC)c1 2331323534 BEKRMNICNXTUAL-UHFFFAOYSA-N 442.560 5.342 30 10 IKEE CCCCc1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1cccc2ccccc12 2331340347 ZXDORHAUDPZLJN-UHFFFAOYSA-N 449.624 5.197 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1ccc(F)c(F)c1 2331350633 IEWYNBCQQCKOFW-UHFFFAOYSA-N 426.390 5.536 30 10 IKEE O=C(Cc1ccc(Br)cc1)Oc1ccc(C=CC(=O)c2ccc(F)cc2)cc1 2331512818 NFMUEZJJPBWEKZ-UHFFFAOYSA-N 439.280 5.632 30 10 IKEE Clc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CCC2)cc1 2331535276 CNZZGVIVZZLVFL-UHFFFAOYSA-N 432.980 6.527 30 10 IKEE COCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(Cl)c(Cl)c1 2331577598 KPLHWFMZFNLFTM-UHFFFAOYSA-N 425.316 5.045 30 10 IKEE O=C(Cc1ccccc1)Oc1ccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1 2331592109 MMTIHQAQDIAYFS-UHFFFAOYSA-N 434.491 6.523 30 10 IKEE CC(C)C[C@@H](CNC(=O)OC(C)(C)C)Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339575404 WGELNUFYEATCRC-HYSAVQALSA-N 445.413 5.078 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Oc2ccc(C#N)c([N+](=O)[O-])c2)ccc1Br 2370353198 MTAFLGUGGBXVPJ-UHFFFAOYSA-N 434.246 5.368 30 10 IKEE CCCCCCCc1ccc(-c2noc(-c3c(-c4ccccc4Cl)noc3C)n2)cc1 3584693 SMIGWRDFGLUSGL-UHFFFAOYSA-N 435.955 7.533 30 10 IKEE CN(C)c1ccc(-c2nc3n(n2)[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 9602022 IOCCMMVEIYNIQY-JOCHJYFZSA-N 447.970 5.323 30 10 IKEE Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(SCc4ccccc4)nn32)cc1 17097179 INKNDIJRHADGJW-JOCHJYFZSA-N 430.577 5.537 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(OC)cc2)cc1 21260081 UNLGHJDEWVNOHI-MMTVBGGISA-N 440.543 6.073 30 10 IKEE C=CCC[C@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1 36306485 JTULQWLBDRVLHV-QHCPKHFHSA-N 433.596 5.727 30 10 IKEE C=CCC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)CC1CC1 36342121 CSEMQFDYTRFVLU-DEOSSOPVSA-N 449.570 5.651 30 10 IKEE C[C@@H]1CCCCN1Cc1c(O)ccc2c1O/C(=C/c1ccc(-c3ccccc3)cc1)C2=O 37857786 WUEDDSYVZIQZJQ-VKELSTCCSA-N 425.528 6.050 30 10 IKEE C=CCN1C(=O)c2[nH]nc(-c3c(C)cc(C)cc3O)c2[C@H]1c1cccc(OCCC(C)C)c1 38705750 ONBCYRYVTLNTDK-AREMUKBSSA-N 445.563 5.555 30 10 IKEE Cc1c(/N=N/c2ccc(-c3ccccc3)cc2)c(O)n([C@H](C)c2ccccc2)c(=O)c1C#N 39870741 IYJOYOJWJQONIZ-VJNOSPCCSA-N 434.499 6.426 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@H]1c1cccc2ccccc12 40085951 BTNJMKXTRRJJQB-RUZDIDTESA-N 443.543 5.925 30 10 IKEE O=[N+]([O-])c1cccc(/C=N/c2ccc3nc(SCc4c[nH]c5ccccc45)sc3c2)c1 59391607 AAPXKENXIHPUOF-WYMPLXKRSA-N 444.541 6.729 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(C3CCCCC3)C4)C2=O)cc1 62977253 SWRIKKDXXFOXQH-MYYYXRDXSA-N 446.591 5.942 30 10 IKEE Cc1ccc(C/N=C(\NCC23CC4CC(CC(C4)C2)C3)Nc2ccc(C(=O)O)cc2)cc1 65304877 CZNPNQBZLXGIOK-UHFFFAOYSA-N 431.580 5.467 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1CNc1nc2ccccc2n1Cc1ccccc1C#N 95086502 AJJYXJLAKCFEGD-OAQYLSRUSA-N 445.567 5.158 30 10 IKEE CCCCCCCCCCCCCCCCNC(=S)NC(=O)/C=C/c1cccs1 100088924 NYHQQJOHIGEKQC-VHEBQXMUSA-N 436.731 7.233 30 10 IKEE CCCCCCCOc1cccc([C@]2(C)Nc3ccccc3C(=O)N2Cc2ccccc2)c1 100140031 IAIMKTBWEMJKIL-GDLZYMKVSA-N 442.603 6.977 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CCC3)cc1 100162887 LYNVSTMIBVSPMB-UHFFFAOYSA-N 441.622 5.584 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1cccc(NC(=O)C(C)C)c1 100444096 CUSUESSJQNQUQQ-UHFFFAOYSA-N 447.689 6.795 30 10 IKEE O=C1CS/C(=N/N=c2/oc3ccccc3cc2-c2ccccc2)N1Cc1ccccc1 101301035 BHLHACIIIPKLSK-OWUYFMIJSA-N 425.513 5.047 30 10 IKEE CCCCCCCCCCCCCCCCn1c(CCCNC(C)=O)nc2ccccc21 102145282 RUZCCOOFPNEIHS-UHFFFAOYSA-N 441.704 7.586 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1Cl 169886893 ZPAIDGZHXGYMSW-HKOYGPOVSA-N 437.005 5.782 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccc(O)cc2)cc1 169963463 NUPPOEIODOYXTM-VWLOTQADSA-N 446.462 5.200 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccc(OC(C)C)c2)cc1 169979711 VAUKCVJQSQAXFR-XMMPIXPASA-N 427.500 5.565 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@@H]2c2ccccn2)ccc1F 169992275 VHGISVLSCHFZKN-HSZRJFAPSA-N 444.506 5.610 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@@H]1c1ccccn1)c1cc2ccccc2o1 169995920 SJGAIDMVEUPLOS-RUZDIDTESA-N 446.462 5.764 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2cccnc2)cc1C 170006384 IJYIONKGDQIHCL-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C)c2)c1 170035851 YQNYRIUABVOVOZ-HSZRJFAPSA-N 447.918 5.830 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccccc2)cc1 170049082 XKLJDOHAQJZGCZ-AREMUKBSSA-N 425.528 5.912 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(C)o2)c1 170099449 NRXDUNJFMNFSPB-HSZRJFAPSA-N 447.487 5.087 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc(F)cc2)=C(O)C(=O)N1c1cccc(Cl)c1 170106998 MJNQUINAYVHSKT-SFHVURJKSA-N 427.884 5.632 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCCC2)c1 170119259 VKOZFIYCIKJFGK-OAQYLSRUSA-N 425.912 5.260 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2C2CCCC2)c1 170121558 LQNBDKVKARTQFD-DEOSSOPVSA-N 449.547 5.312 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cccs1 170164052 VOBCEJZTRSULHD-LJQANCHMSA-N 445.968 5.630 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccn1 170178072 OBVGOLRVWPEOCR-JOCHJYFZSA-N 430.504 5.059 30 10 IKEE NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1c1ccc(OCc2ccccc2)cc1 170179095 IZQNEGGJXREKTH-UHFFFAOYSA-N 439.540 5.106 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(Cl)cc1)c1cccc2ccccc12 170237031 MZWPGEGVZCRERP-QHCPKHFHSA-N 431.919 6.014 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCCC)c2)[C@H]1c1c[nH]c2ccccc12 170255189 AVUBWKJBMJJSPU-HSZRJFAPSA-N 432.520 5.335 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccc(C)o2)c1 170302085 GDSCCCBRJWVULX-RUZDIDTESA-N 437.495 6.141 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccc(C)o2)cc1OC 170304783 FUZWRNJQGFZWAD-QHCPKHFHSA-N 447.487 5.005 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(C)cc2C)ccc1OC 170441330 AICANLVZFDMJFJ-XMMPIXPASA-N 437.536 5.226 30 10 IKEE Cc1ccccc1/C=C1\S/C(=N\N=C/c2cccc([N+](=O)[O-])c2)N(Cc2ccco2)C1=O 205689022 BONOSBDPPXMOPW-WLUIOLKMSA-N 446.488 5.003 30 10 IKEE COc1cccc(/C=C2\SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)c1OC 252626585 RBRZIZZMGSUBAI-MLSYBWHESA-N 444.556 6.129 30 10 IKEE CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2C)SC1=Nc1cccc2ccccc12 252628105 SIDJDATZBYQNHC-JOCHJYFZSA-N 431.561 5.437 30 10 IKEE CCn1c2ccccc2c2cc(C=Nc3ccc(S(=O)(=O)N4CCCC4)cc3)ccc21 254313392 XLLPTQINUBTCAX-UHFFFAOYSA-N 431.561 5.350 30 10 IKEE COc1cc(C=NNC(=S)NC2CCCCC2)ccc1OCc1ccc(Cl)cc1 254617114 JHYGDRPMURPOIA-UHFFFAOYSA-N 431.989 5.058 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1 526486283 NYUZQFHAAAVLKZ-VWLOTQADSA-N 439.515 5.080 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccc(OC)c2)cc1 526486727 QTIGADLIIQDMAV-XMMPIXPASA-N 426.472 5.023 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1/N=C\c1cccc(Cl)c1Cl 526803638 FARWYWZRIIYFQN-MSXFZWOLSA-N 437.371 6.241 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccccc1C(F)(F)F 526807125 IYPLCWURWAVPAN-ROTLSHHCSA-N 438.906 6.077 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1c(F)cccc1Cl 526824081 JCNFWZIWIBNCHU-AQHIEDMUSA-N 443.762 6.114 30 10 IKEE Cc1cc(Cl)cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)c1 698468097 GRQUKNNVZMAKSE-SFHVURJKSA-N 435.749 6.417 30 10 IKEE CC(C)CN1CCC(C#N)(N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)CC1 698482136 MKNCWVHADHCBTH-UHFFFAOYSA-N 436.394 5.205 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 698908035 FZXFGIAOGLCZPY-AOMKIAJQSA-N 435.590 5.024 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 698908042 FZXFGIAOGLCZPY-ZHRRBRCNSA-N 435.590 5.024 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 698940848 BSURPJMSONUMRC-HJPURHCSSA-N 433.524 5.106 30 10 IKEE C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@H]2C(=O)/C=C\c1ccc(Cl)cc1 1088690230 MCQDPLIJIWZQHR-ROIKZZITSA-N 439.039 6.862 30 10 IKEE CC1(C)Cc2cccc([C@H](C#N)OC(=O)[C@H]3[C@@H](/C=C(/Cl)C(F)(F)F)C3(C)C)c2O1 1615199686 OAVOLVCXKGWJOS-JEDFDLIISA-N 427.850 5.465 30 10 IKEE COC(=O)c1ccc(/C=C2/SC(=Nc3cccc(C)n3)N(C3CCCCC3)C2=O)cc1 1772739624 XPTHHYGLLKECOP-VDCIBEPTSA-N 435.549 5.113 30 10 IKEE Cc1c(N=Nc2ccc(Br)cc2)c(O)n(CCc2ccccc2)c(=O)c1C#N 1772740674 WAZOJNWCKSTDGI-UHFFFAOYSA-N 437.297 5.155 30 10 IKEE CCN(C(=O)Oc1cccc2c(NC(=O)c3cccc(C#N)c3)cccc12)c1cccc(C)c1 1858954726 QGZHYQOKWATWGL-UHFFFAOYSA-N 449.510 6.298 30 10 IKEE N#Cc1ccccc1NC(=O)c1nn(-c2ccccn2)c(-c2ccc(Cl)cc2)c1Cl 1859387922 HVKQBMHNDHRFNV-UHFFFAOYSA-N 434.286 5.365 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 1862145516 DYCOAUJSFDOHQR-HSEDLZSMSA-N 448.582 5.065 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2cc(OC)ccc2OC)n(-c2ccc(Cl)cc2)n1 1862351387 PBWVYEHJBVYCPZ-UHFFFAOYSA-N 437.927 5.024 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1cccc(OC)c1 1862385142 IRFCMSJPIOPQIA-BLVKFPJESA-N 434.319 5.379 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862393006 LDCHFMANZRWYCR-OPAMFIHVSA-N 436.508 5.314 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccccc1C 1862411286 CYUGDYPNMGFGPT-MBSDFSHPSA-N 441.518 6.210 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccc(C)cc2)cc1 1862445383 UUEZNEFHVXGSMG-XMMPIXPASA-N 445.946 5.989 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccccc1C(=O)O 1862493443 PSWFQIXKNHYSBQ-QFIPXVFZSA-N 435.520 5.160 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(OC)cc1 1862501998 OUCYKGHUXGSIQZ-JOCHJYFZSA-N 425.500 5.301 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccccc2Cl)cc1 1862502534 CJTDRSDNYWLSDR-HSZRJFAPSA-N 449.909 5.874 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccccc2Cl)ccc1F 1862503366 WGZYTNHVXRTRNQ-JEWAVWJGSA-N 441.930 5.945 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN(CC)CC)[C@H]2c2ccccc2C)cc1 1862532603 HWHVFTVQPHCGSR-VWLOTQADSA-N 448.607 5.258 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccccc1C(=O)O 1862545610 DXEUUEMBRNQAPM-HSZRJFAPSA-N 447.531 5.032 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc2cc[nH]c2c1)c1ccc2c(c1)CCCC2 1862545793 IXXDHPIZZXFVSL-VWLOTQADSA-N 440.543 5.568 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1c(F)cccc1Cl 1862561212 NPCWVOAJDLFDRZ-MPKWNAGQSA-N 442.918 5.218 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(C(F)(F)F)cc1 1862597628 LFUPHHMBGOTZGZ-HXUWFJFHSA-N 447.453 5.570 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1cccc(F)c1 1862617005 TYIAKVNQCCXCAH-OUPRXKBMSA-N 449.566 6.280 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C2CC2)c1 1862623835 XKUOHWBBXMWCIM-QHCPKHFHSA-N 433.548 5.514 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2ccccc2C)cc1F 1862639338 WDOZLKVBUOAVTM-DEOSSOPVSA-N 445.490 5.230 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccc1[N+](=O)[O-] 1862654660 PDHDHXWQUNIMGY-HSZRJFAPSA-N 444.487 5.372 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCc2ccccc2)c1 1862660510 NBGWZBMLWOOUEG-AREMUKBSSA-N 439.555 5.939 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccccc1F)c1ccc(-c2ccccc2)cc1 1862723724 FBKXBWPBJQOQBH-RUZDIDTESA-N 441.502 6.014 30 10 IKEE Cc1cc(C)cc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1862798287 GTHJLIWTDDLYCG-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE Cc1cc(Cl)ccc1NC1=C(c2ccc(Cl)cc2)C(=O)N(c2ccccc2C#N)C1=O 1862805510 XPYITEDPZFEDED-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE N#Cc1cccc(NC2=C(c3cccc4ccccc34)C(=O)N(c3ccccc3Cl)C2=O)c1 1862852079 VZFCPRNSZUOPHY-UHFFFAOYSA-N 449.897 5.761 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1 1862888528 RZSIWFPDZNWDJN-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE Cc1cc(C2=C(Nc3cccc(Cl)c3C)C(=O)N(c3ccccc3C#N)C2=O)ccc1F 1863100462 OXEFUTGKDAJTHQ-UHFFFAOYSA-N 445.881 5.364 30 10 IKEE Cc1cc(C)cc(NC2=C(c3c[nH]c4ccccc34)C(=O)N(c3ccccc3C#N)C2=O)c1 1863136311 ILBUMBNTHJHFPK-UHFFFAOYSA-N 432.483 5.053 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccco2)=C(c2ccc(F)cc2)C1=O 1863507589 WUHDNIBTKJASBY-UHFFFAOYSA-N 426.532 5.429 30 10 IKEE CCCCCCCCNC1=C(c2ccc(Cl)cc2)C(=O)N([C@@H](C)c2ccccc2)C1=O 1863534971 PQIDZLJLLOXBHS-IBGZPJMESA-N 438.999 6.131 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC2CCCC2)=C(c2ccc(OCC)cc2)C1=O 1863568839 SOQMOXCSVCJKKJ-UHFFFAOYSA-N 440.628 5.838 30 10 IKEE Cn1nc(-c2ccccc2F)c(C#N)c1NC(=O)c1c2c(nc3ccc(Cl)cc13)CCC2 1866282923 NTUJEBCVAUWXDI-UHFFFAOYSA-N 445.885 5.040 30 10 IKEE CCCN(CCCN(C)C)c1cc(Nc2ccccc2C#N)nc(-c2ccc(C)cc2)n1 1868326437 CUEQVXFMWNSWCY-UHFFFAOYSA-N 428.584 5.235 30 10 IKEE C[C@@H]1CN(c2cc(Nc3ccc(C#N)cc3)nc(-c3ccc(Cl)cc3)n2)C(C)(C)CO1 1868442557 TYOWVUCLGJNGBB-MRXNPFEDSA-N 433.943 5.416 30 10 IKEE Cc1ccc(-n2nnc(C#N)c2NC(=O)CCCOc2ccc3ccccc3c2)cc1Cl 1870145152 UYAOVBODBJEVMC-UHFFFAOYSA-N 445.910 5.052 30 10 IKEE Cc1ccccc1-c1ccc(-n2nnc(C#N)c2NC(=O)CCc2ccc(Cl)cc2)cc1 1870155901 LQAZMWAFMVNWLK-UHFFFAOYSA-N 441.922 5.339 30 10 IKEE C=CCn1cc(OCCCOc2ccccc2)c(=O)cc1CSc1ccc(Cl)cc1 1870172380 XKOUXLFZDZFPSD-UHFFFAOYSA-N 441.980 5.828 30 10 IKEE C=CCn1cc(OCC(=O)Nc2ccc(C)c(Cl)c2)c(=O)cc1CSC(C)(C)C 1870207341 LZMVMSLNQKODRK-UHFFFAOYSA-N 434.989 5.045 30 10 IKEE C=CCn1cc(OCC(=O)Nc2c(Cl)cccc2Cl)c(=O)cc1CSC(C)C 1870258297 QMQPZIGMZXBKHY-UHFFFAOYSA-N 441.380 5.000 30 10 IKEE C=CCOc1cn(CCCCc2ccccc2)c(CNc2ccc(Cl)cc2C)cc1=O 1870812581 WLGJMIATTYWIFE-UHFFFAOYSA-N 436.983 6.010 30 10 IKEE C=CCn1cc(OCC(=O)OC2CCCCC2)c(=O)cc1CNc1ccccc1C(C)C 1871022161 BKUFDKWRIQLPRX-UHFFFAOYSA-N 438.568 5.025 30 10 IKEE C=CCn1cc(OCCc2ccc(OC)cc2)c(=O)cc1CNc1cc(Cl)ccc1C 1871050711 BSTPOMTYKNZIOQ-UHFFFAOYSA-N 438.955 5.238 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc3C2=O)cc1 1871371954 RKRXKHNRFBENJM-IMRQLAEWSA-N 446.502 6.349 30 10 IKEE Cc1c(OC(=O)c2ccc(OCC(C)C)cc2)ccc2c1O/C(=C\c1ccc(F)cc1)C2=O 1871384156 ZYKZTWYJJWYSSO-OYKKKHCWSA-N 446.474 6.004 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2F)C3=O)c1 1871412686 ZDDIRXHIXFQAAU-WTZXFZKGSA-N 445.490 5.773 30 10 IKEE CCCC[C@H](Oc1cc(C)c2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O)C(=O)O 1871423096 MISANKWMBRTVOG-NAZSJVEXSA-N 442.511 6.300 30 10 IKEE CC(=O)Nc1ccc(C(=O)COc2ccc3c(c2C)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871432897 QSQSAKZEARTJJB-QFEZKATASA-N 441.483 5.140 30 10 IKEE C[C@@H](Oc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O)C(=O)Nc1nc2ccccc2s1 1871439595 FESHUWZKXBCXQL-PJMHOZITSA-N 442.496 5.319 30 10 IKEE CCc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871454146 IUJUMESQKDCCDH-QRVIBDJDSA-N 433.891 5.536 30 10 IKEE Cc1cc(C)c(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccc(C)o2)C3=O)c(C)c1 1871458767 LGJMFAJGTQEJOE-JJFYIABZSA-N 431.488 5.455 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(F)cc1 1871992940 NWZVKOPQUMVTID-HSZRJFAPSA-N 446.588 5.207 30 10 IKEE N#C[C@H](C(=O)c1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872759792 ZTWBVNSJOXFPLK-LJQANCHMSA-N 449.362 7.274 30 10 IKEE CC(C)c1ccccc1O[C@@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872759943 DAWHCFXRSPPTGS-FDDCHVKYSA-N 444.600 6.456 30 10 IKEE Cc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccccc3Cl)cs2)c(C(C)(C)C)c1 1872764820 YVCVLOIHVLNAPO-QGZVFWFLSA-N 438.980 6.325 30 10 IKEE Cc1c([N+](=O)[O-])cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1[N+](=O)[O-] 1872767202 UQRUOMFBMMWJOJ-CQSZACIVSA-N 442.840 5.078 30 10 IKEE CCCCC1CCC(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)CC1 1872769516 UBYIQBUDRTVDHZ-DQPZFDDXSA-N 435.420 7.290 30 10 IKEE COc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)c(OC)c1 1872772447 DHZVLHJGBUPLRL-TZTLJZABSA-N 446.572 6.014 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)Cc3ccc(F)c(C)c3)n2)cc1C(C)C 1872779886 TYIPWAJVPZGIDP-HXUWFJFHSA-N 436.552 6.117 30 10 IKEE COc1cc(OC)c(-c2csc([C@@H](C#N)C(=O)c3cccc4ccccc34)n2)cc1Cl 1872782989 OZPNHIQMXHEWOL-SFHVURJKSA-N 448.931 6.124 30 10 IKEE CCCCCCCCN1C[C@@H](C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CC1=O 1872967750 OQQCZSUXRHQDRF-AZUAARDMSA-N 427.614 5.169 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(C(C)C)c(C)c2)=C(c2ccc(-n3cccc3)cc2)C1=O 1873203275 HZLXKHQHXRBYQC-UHFFFAOYSA-N 425.532 5.287 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)cc2C)cc2c(N(CCC)CCC)ncnc21 1873665322 DWYIBKZMCTVZBX-UHFFFAOYSA-N 425.964 5.458 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(OC)cc2)n1/N=C/c1cccc(C)c1 1874219807 FQFBIZWPHCGHQF-PCLIKHOPSA-N 436.581 5.157 30 10 IKEE C(=N/n1c(CC23CC4CC(CC(C4)C2)C3)nnc1SCc1ccccc1)\c1ccc[nH]1 1874243444 GRLQEGKXNVURGV-JVWAILMASA-N 431.609 5.540 30 10 IKEE CCCSc1nnc(COc2c(C)cccc2C)n1/N=C/c1ccccc1OC(C)C 1874300287 MWEONQZXTXTTQS-MFKUBSTISA-N 438.597 5.645 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(CCCOc2ccccc2)nnc1SC 1874315267 KNPOCVMELQXRDI-KOEQRZSOSA-N 432.549 5.056 30 10 IKEE Fc1ccc(CSc2nnc(Cc3ccc(Cl)cc3)n2/N=C/c2ccco2)cc1 1874336892 LSRQHQXJWUSXOC-ZMOGYAJESA-N 426.904 5.429 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(F)c3)n2/N=C/c2cccnc2)cc1C 1874357282 ZBWMMVQGEFEESA-JFLMPSFJSA-N 431.540 5.194 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3ccccc3C)nnc2-c2ccccc2Cl)cc1 1874364410 ARGBPESXZKSPES-CVKSISIWSA-N 432.980 6.390 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2ccccc2)n1/N=C/c1ccccc1Cl 1874375586 DGLIJTMCMQFSSV-CVKSISIWSA-N 436.943 5.836 30 10 IKEE O=[N+]([O-])c1cccc(/C=N/n2c(CC3CCCCC3)nnc2SCCc2ccccc2)c1 1874408259 NTHMYVUHAGESSH-XIEYBQDHSA-N 449.580 5.526 30 10 IKEE Oc1ccc(Cl)cc1/C=N/n1c(SCc2ccccc2Cl)nnc1[C@@H]1CCCO1 1874449275 YGKLDKQAFHQELH-RIDKEVFESA-N 449.363 5.317 30 10 IKEE Cn1cccc1/C=N/n1c(SCc2ccc(Cl)c(Cl)c2)nnc1C1CCCC1 1874457230 HONVDEXEBBTGCD-FSJBWODESA-N 434.396 5.756 30 10 IKEE COc1cccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C(F)(F)F)c1 1874463267 AFQUTGPBIQELPY-PGGKNCGUSA-N 444.841 5.273 30 10 IKEE CCSc1nnc(C(C)(C)C)n1/N=C/c1ccc(OCCc2ccccc2)c(OC)c1 1874482318 PLRKCGZYHLDPTD-KOEQRZSOSA-N 438.597 5.200 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C(C)(C)C)cc1 1874484157 IEZRTJCINXRITI-AFUMVMLFSA-N 427.017 6.527 30 10 IKEE CCCOc1ccc(/C=N/n2c(COC)nnc2SCc2cccc3ccccc23)cc1 1874502376 FBDWVAJDZMJTDR-WGOQTCKBSA-N 446.576 5.541 30 10 IKEE COc1cccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C(C)C)c1 1874515390 WBFDJSOGYGBEBI-FOKLQQMPSA-N 435.380 5.891 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SCc3ccccc3C)nnc2C2CC2)cc1 1874516395 VSRRWZXVROCIJG-YZSQISJMSA-N 434.609 6.207 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CC)nnc2SCc2ccc(Cl)cc2)cc1 1874527498 REMOGXVYRAXTJJ-BUVRLJJBSA-N 428.989 5.847 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1cn(C)c2ccccc12 1874535467 IUAJCIYSQFKGJM-AUEPDCJTSA-N 430.364 5.560 30 10 IKEE CCCCCOc1ccc(/C=N/n2cnnc2SCc2cccc(C)c2)cc1OCC 1874536864 ZYSLOTAAWGEDTH-WGOQTCKBSA-N 438.597 5.729 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/n2c(S)nnc2-c2ccco2)cc1Cl 1874559795 PDPQONSMXYXJMW-LFVJCYFKSA-N 447.004 6.492 30 10 IKEE CC(C)(C)c1cc(/C=N/n2c(S)nnc2Cc2ccc(F)cc2)cc(C(C)(C)C)c1O 1874561942 SPWRVYXILFNBFV-VULFUBBASA-N 440.588 5.480 30 10 IKEE CCCOc1c(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(Br)cc1OC 1874571830 IPVKCIGRNPYKST-ZHACJKMWSA-N 429.354 6.021 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccccc2Cl)c1OCC(=O)N[C@H](C)c1ccccc1 1874574847 IXERRXKYRBNORG-WXWBBQJKSA-N 449.934 5.501 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Br)ccc2OCCc2ccccc2)c(C)c1 1874579057 UORDLUSQIVTQPT-FMIVXFBMSA-N 435.361 6.584 30 10 IKEE O=C(/C=C/c1cc(Br)ccc1OCc1ccccc1)c1ccc(F)c(F)c1 1874584748 DSFDFULLFOOKKK-JXMROGBWSA-N 429.260 6.202 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3C)c(OCC)c2)cc1 1874607113 CQIALVFOPSFUEG-NBVRZTHBSA-N 428.572 7.211 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)cc1 1874637154 LCUKNNHSOMQXSV-XYOKQWHBSA-N 429.944 5.272 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OCc1ccc(Cl)cc1 1874638253 QCNFVFRHFMVFJZ-ONNFQVAWSA-N 447.745 7.131 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1OC(=O)c1ccc(C)cc1 1874702580 YFXZZQLEPCTPSZ-VZUCSPMQSA-N 441.310 6.426 30 10 IKEE CCCCC1CCC(C(=O)Oc2cccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)c2)CC1 1874710767 JSKNBNLYMUDLPD-SAPNQHFASA-N 446.631 7.718 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)[C@H](C)c1ccccc1 1875099182 UOVUAVLPQRSIOL-ZRNYNZGJSA-N 440.539 6.179 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3ccccc3C)cc2)cc1 1875100113 OLHHONNGAORMIN-XMHGGMMESA-N 428.528 6.218 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)c3ccccc3)c(OC)c2)cc1 1875107667 CREFFTLDLJKLBM-TVADFSRQSA-N 442.555 6.643 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)COc1ccc(Cl)cc1 1875128778 UJAOCBZZVTWTLQ-RIYZIHGNSA-N 436.891 5.619 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2)cc1 1875131364 UMFJKVSBOHFCSZ-GZTJUZNOSA-N 428.528 6.136 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)COc1ccc(C)cc1C 1875136595 QZUILGRNAJHCQH-XYOKQWHBSA-N 430.500 5.501 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OC 1875140959 GZTBJMBXPNERNW-FMIVXFBMSA-N 432.919 6.568 30 10 IKEE Cn1c(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2)cc2ccccc21 1875149897 MZCJQWOOFNVLAK-XYOKQWHBSA-N 425.440 5.022 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)cc1F 1875151973 BREKKFOPRWDAHZ-XBXARRHUSA-N 448.534 6.242 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3ccccc3C)cc2)cc1F 1875152173 HNYCIMXKWDIEOD-RVDMUPIBSA-N 448.490 5.803 30 10 IKEE COc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3cccc4ccccc34)cc2)cc1 1875154160 RKKDRGJFHWIEAT-WOJGMQOQSA-N 438.479 5.729 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)CSc1ccccc1 1875157180 RKWIXDYAFDMLSM-OQLLNIDSSA-N 446.568 6.412 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(F)c3)cc2Cl)cc1 1875161791 HSBVJVJHNMDPRJ-UXBLZVDNSA-N 426.846 5.971 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3)cc2)cc1C(C)C 1875163070 UJZKPAUPICFPNI-FOWTUZBSSA-N 442.555 6.561 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)ccc1OC(=O)c1ccccc1F 1875189880 LFPRVTDYRRHTJD-ZRDIBKRKSA-N 448.490 5.965 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc(OC)c1OC(=O)CCCC 1875194572 WCDWUZXSLCBHLR-ZRDIBKRKSA-N 442.939 6.077 30 10 IKEE O=C(Nc1cccc(Br)c1F)c1cccc(C(F)(F)F)c1C(F)(F)F 1889902663 HQKHVHQXUJYLDJ-UHFFFAOYSA-N 430.117 5.878 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)CCc3ccc4c(c3)CCCC4)cc21 1890627414 CTGYLZQCDPPLES-UHFFFAOYSA-N 432.564 5.074 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)NCCC 1922115111 DRDPESDSSKGHCZ-VWNXMTODSA-N 430.633 5.555 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1ccc(Br)c(Br)c1 1978551664 XRBJWUIBHFBXRT-LJQANCHMSA-N 439.191 5.635 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C(C)(C)C1 2013251729 AYWUINRFXSDUES-XMMPIXPASA-N 435.609 5.486 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCC2)CC12CCCC2 2018642907 NCBRUEFJKKJDKI-DEOSSOPVSA-N 433.593 5.382 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@@H](C#N)[C@@]1(C)CCCN1C(=O)OC(C)(C)C 2020798913 OVSNYZMMPBOTHH-FDDCHVKYSA-N 449.979 5.763 30 10 IKEE CCCCCCCCC[C@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)NCC 2035456297 HQHPDBIYJWTAHZ-RUZDIDTESA-N 447.708 6.132 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@]1(C(C)(C)C)CCN(C(=O)OC(C)(C)C)C1 2058042384 FJYHSXSLNMTBCX-KCWPFWIISA-N 444.660 5.801 30 10 IKEE C=C(CC[C@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@]35CC[C@]12C)C(C)C 2069385903 AEAWOMODYBIREN-GFGVQASPSA-N 438.740 8.623 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCC)c2ccc(Cl)cc2Br)C1 2077743277 JEICUZOVTDLMFE-INIZCTEOSA-N 429.786 5.367 30 10 IKEE Cc1ccnc(C#N)c1Nc1cc(Br)c(Br)c(Br)c1 2097119907 SFGJRYYFGOZNGU-UHFFFAOYSA-N 445.940 5.293 30 10 IKEE CCCCCCC[C@@](C)(CO)N(CC1CC1)C(=O)OCC1c2ccccc2-c2ccccc21 2211086422 HODLKKSVDUWQQJ-LJAQVGFWSA-N 449.635 6.759 30 10 IKEE CC[C@@H](C#N)Oc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C(=O)O)c1 2243586146 MCDOUMADABYDBS-INIZCTEOSA-N 442.471 5.427 30 10 IKEE C=CCCCCCCCSc1ncc(I)cc1Br 2259010867 ZCGWCHZQDCLPMT-UHFFFAOYSA-N 440.188 6.067 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cccc(Cl)c1Br 2259408808 UHKIMGQTGVKBRH-RDJZCZTQSA-N 429.786 5.060 30 10 IKEE N[C@H](CC#CC1CCCC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2261146318 QTPRFZOQTPWHTE-HHHXNRCGSA-N 425.572 6.428 30 10 IKEE CC[C@H]1CC[C@@](NC(=O)OC(C)(C)C)([C@@H](O)C#Cc2cccc(Br)c2)CC1 2296231351 CLQBJEHMXVXYKY-BPXKWBHBSA-N 436.390 5.025 30 10 IKEE CCN[C@@H](C#Cc1cccc(Br)c1)CC1(NC(=O)OC(C)(C)C)CCCC1 2296271439 DOADRSFQIFIKAZ-IBGZPJMESA-N 435.406 5.006 30 10 IKEE CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)C(=O)C#Cc1ccc(Br)cc1 2296289058 NRTMMILWVAGXJP-LJQANCHMSA-N 434.374 5.233 30 10 IKEE Cc1ccc(NC(=S)NN=Cc2cn(-c3cccc(F)c3)nc2-c2ccccc2)cc1C 2296405246 SVOYFAMOTRPKKO-UHFFFAOYSA-N 443.551 5.616 30 10 IKEE O=C(C=Cc1cccc(NC(=O)c2ccccc2)c1)c1cccc(NC(=O)c2ccccc2)c1 2297312941 IPWLHYSXJOKDFW-UHFFFAOYSA-N 446.506 6.087 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccc(Cl)cc1 2297333169 YKPAGHFWHBMDOY-DEOSSOPVSA-N 429.903 5.831 30 10 IKEE C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC(=Cc1cccc(Cl)c1Cl)C2=O 2297480174 ANTLLZHQDMIOLB-YTNHROHJSA-N 447.446 6.959 30 10 IKEE CCCCCOc1ccc(C=NNc2nc(-c3cccs3)c(C)s2)cc1OCC 2318417734 DLUUEQBXTJOEPT-UHFFFAOYSA-N 429.611 6.594 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C)NCCC 2321066399 ANKYZDWCVLMRBA-KMDXXIMOSA-N 444.660 5.847 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1cccc2[nH]ccc12 2321802281 OKVTWWHOJOFOEU-UHFFFAOYSA-N 444.391 6.193 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2)Oc2c1ccc1c2CN(CCc2ccc(F)cc2)CO1 2321934984 CFISGJLHVAIKKY-UHFFFAOYSA-N 435.882 5.490 30 10 IKEE Cc1ccc(CCc2nnc(S)n2N=Cc2ccc(OCc3ccccc3)cc2)cc1C 2322044904 VDIADIIAMPAJRN-UHFFFAOYSA-N 442.588 5.430 30 10 IKEE CCCOC(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc(-c2ccccc2)cc1 2322305572 ZMOIFONBNDZVOB-UHFFFAOYSA-N 434.919 6.235 30 10 IKEE C=C(C)COc1ccc(Br)cc1C=CC(=O)c1cccc(Br)c1 2322457490 USTIXYVVZBOCKE-UHFFFAOYSA-N 436.143 6.063 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Br)ccc2OCc2cccc(F)c2)cc1 2322586176 AQVAHROFHCCRCA-UHFFFAOYSA-N 425.297 6.372 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccccc2OCc2ccc(Cl)c(Cl)c2)c1C 2322833101 MHCBQHVWFQASIV-UHFFFAOYSA-N 439.382 7.702 30 10 IKEE COc1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(C)o2)C3=O)cc1OC 2323072504 TUILNZVRXNXWPP-UHFFFAOYSA-N 446.455 5.149 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OC(=O)c4ccc(C)c(C)c4)ccc3C2=O)cc1 2323248343 FNAJTWGSCAJKDT-UHFFFAOYSA-N 441.527 5.985 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1OCCc1ccccc1 2323327262 PKNRESALBVJDQX-UHFFFAOYSA-N 427.327 6.520 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(OC)c1OCCc1ccccc1 2323409762 MFSNURAWPUIFRM-UHFFFAOYSA-N 448.562 7.095 30 10 IKEE CCCCCCCCCOc1ccc(C=NNc2nc(CC(=O)OC)cs2)cc1OC 2323840217 ABTUHXMOVVJCJY-UHFFFAOYSA-N 447.601 5.443 30 10 IKEE C[C@@H](Oc1ccc2c(c1)OC(=Cc1ccco1)C2=O)C(=O)Nc1ccccc1C(F)(F)F 2324356332 IWVNYJNSAWRCML-CYBMUJFWSA-N 443.377 5.321 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(OC)c(OC)c3)n2)cc1 2324404194 GDIWTPYQRJQZQU-OAQYLSRUSA-N 446.572 6.060 30 10 IKEE N#C[C@@H](C(=O)C=Cc1ccc(Cl)cc1Cl)c1nc(-c2ccc(Cl)cc2)cs1 2324490791 OPHIABNARGHZCE-INIZCTEOSA-N 433.747 6.660 30 10 IKEE CCCC[C@H](Oc1cc(C)c2c(c1)OC(=Cc1ccc(N(CC)CC)cc1)C2=O)C(=O)O 2324784593 AGXICLRTXRWBHI-NRFANRHFSA-N 437.536 5.480 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1cn(C)c2ccccc12 2325610583 WJAMILKGJRYKES-UHFFFAOYSA-N 444.391 5.814 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2Cl)cc1OC(=O)c1ccc(F)cc1F 2325717164 FRVXNONIWAZTHC-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE O=C(Oc1cccc(C=CC(=O)c2ccccc2Cl)c1)c1ccc(Br)cc1 2325717969 BBDWPFOMSHAHTK-UHFFFAOYSA-N 441.708 6.218 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)[C@@H](Cc3ccccc3)c3ccccc3)c2)cc1 2325738602 YUDYUUPMIJNFPO-LJAQVGFWSA-N 446.546 6.823 30 10 IKEE CCCc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)OCO4)c2)cc1 2325747515 XAGBGVSZGHVHHF-UHFFFAOYSA-N 444.483 5.248 30 10 IKEE O=C(Oc1cccc(C=CC(=O)c2cccc3ccccc23)c1)c1ccc(Cl)cc1Cl 2325750054 JCBZJBCKVXSTSP-UHFFFAOYSA-N 447.317 7.262 30 10 IKEE CCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1c(O)ccc2ccccc12 2326323942 JZEXHXTWZYJZTJ-UHFFFAOYSA-N 444.604 6.171 30 10 IKEE CCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1ccccc1OCC 2326331747 QQWPIGYQCYOAFK-UHFFFAOYSA-N 436.625 6.101 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2N=Cc2cccnc2)c(C)c1 2326460702 GWSZANOGUJYBGF-UHFFFAOYSA-N 427.577 5.250 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1ccc2c(c1)OCCO2 2328179676 ZSEVKLCXOQDOOX-UHFFFAOYSA-N 440.613 5.674 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2C)n1N=Cc1ccc(OCCC)cc1 2329484434 VFQNHHIDJKWQCI-UHFFFAOYSA-N 434.609 5.711 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2N=Cc2cccs2)cc1 2330023044 KJMCVYSLTGFZGC-UHFFFAOYSA-N 439.009 6.067 30 10 IKEE Cc1ccc(CSc2nnc([C@H](C)c3ccccc3)n2N=Cc2sccc2C)cc1 2330050899 SAXACJHHDAHSFA-LJQANCHMSA-N 432.618 6.283 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2F)n1N=Cc1ccc(O)c(O)c1 2330108700 JNWXUIQZOMMQMJ-INIZCTEOSA-N 448.523 5.155 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1OC 2330592357 ZKHJHCWQQIYDAK-UHFFFAOYSA-N 448.946 7.007 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)CC(C)C 2330608831 AKRVSOZKMACBJS-UHFFFAOYSA-N 428.528 6.600 30 10 IKEE CN(C)c1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2cccc(F)c2)cc1 2330824391 ASZKCFWQWCUZSR-UHFFFAOYSA-N 425.577 5.246 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccn2)c(Cl)c1)c1ccc(Br)cc1 2330887155 KSVGHQYQEANWKZ-UHFFFAOYSA-N 442.696 5.613 30 10 IKEE Clc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CCCC2)cc1 2331086522 BUVPCLMDTIGGPZ-UHFFFAOYSA-N 431.392 6.417 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)c1sccc1C 2331142352 ZFIMSVWVARUMCR-UHFFFAOYSA-N 442.920 5.842 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)c1cccc(F)c1 2331232564 LCCGLEKXDPXNLL-UHFFFAOYSA-N 444.502 6.295 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)Cc1ccccc1[N+](=O)[O-] 2331329876 QVUYXELGIFCBBP-UHFFFAOYSA-N 445.471 5.264 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C(C)(C)C)cc1 2331409056 OXHZGOYYEAIFSD-UHFFFAOYSA-N 428.989 5.802 30 10 IKEE CCOc1cc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C(C)(C)C)ccc1O 2331409070 QKVGWJLWBMXDRR-UHFFFAOYSA-N 444.988 5.508 30 10 IKEE COCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(F)cc1F 2331611789 DUVHQIPGIYTPBN-UHFFFAOYSA-N 443.306 5.184 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)c1ccccc1F 2331703743 YEWUKJQIYQKAPM-UHFFFAOYSA-N 438.882 6.220 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(OC)cc2OC)cc1OC 2331716794 PKYDJHJMUJFMMC-UHFFFAOYSA-N 432.900 5.358 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3)cc2)cc1Cl 2331802607 GRSBZNKEVMPFAD-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE COC1(C#C[C@@H](O)c2ccc(Br)cc2NC(=O)OC(C)(C)C)CCCCC1 2363524200 PTAMVMWFDOWACT-GOSISDBHSA-N 438.362 5.182 30 10 IKEE CC1(C)OB(/C=C/c2ccc(Nc3ccc(Cl)c(Br)c3)nc2)OC1(C)C 2365107830 RFWXFSSLIPPZCX-MDZDMXLPSA-N 435.558 5.886 30 10 IKEE O=C1SC(c2cc(I)ccc2Cl)=N/C1=C\c1cccs1 3663530 QBBPKFLNJQFYRK-GHXNOFRVSA-N 431.707 5.067 30 10 IKEE C=CCn1c(S[C@H](C)C(=O)O[C@H](C)CC)nc2scc(-c3ccc(C)cc3)c2c1=O 8950557 HTUMQLXJGJFRMC-HZPDHXFCSA-N 442.606 5.442 30 10 IKEE CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2cccc(C#N)c2)[C@H]1c1cccs1 9433197 YEBLZTWALSQZMT-XZOQPEGZSA-N 429.545 5.195 30 10 IKEE C=C(C)COc1ccc(NC(=O)COc2ccc3ccccc3c2Br)cc1 9812958 TUAKBSQVWWUKKS-UHFFFAOYSA-N 426.310 5.575 30 10 IKEE C=C1/C(=C\C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)(C)O)C[C@@H](O)C[C@@H]1O 12496790 ZGLHBRQAEXKACO-QZQOGYSZSA-N 428.657 5.727 30 10 IKEE in-vitro C=CCN1C(=O)/C(=C/C(Cl)=C/c2ccccc2)S/C1=N\c1ccc(C(=O)O)c(O)c1 16927390 JAIVANUZWQTNGR-YSJYHMPESA-N 440.908 5.003 30 10 IKEE COc1ccc(OC)c([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1 21251553 XVDKIPSPRWOPMI-MQNRADLISA-N 432.545 5.745 30 10 IKEE CCCCSc1nnc2c(n1)O[C@H](c1ccc(C#N)cc1)N(C(C)=O)c1ccc(C)cc1-2 32997448 GXRPNNSVTOAIQF-HSZRJFAPSA-N 445.548 5.055 30 10 IKEE COc1cc(/C=C\C(=O)c2ccc(OC(F)F)cc2OC(F)F)ccc1OC(F)F 33665407 XMJHMAUYYGJJRA-KXFIGUGUSA-N 436.304 5.396 30 10 IKEE O=C1/C(=C\c2cc3cc(Br)ccc3o2)Oc2c1ccc(O)c2CN1CCCC1 37857864 XQSFMPSDTNVLTQ-RGVLZGJSSA-N 440.293 5.113 30 10 IKEE Cc1c(C(=O)c2sc3cccc(Cl)c3c2Cl)c(O)n(CC(C)C)c(=O)c1C#N 38617473 GJOKTTUIDSVASV-UHFFFAOYSA-N 435.332 5.143 30 10 IKEE C=CCOc1ccc([C@@H]2c3c(-c4cc(Cl)c(C)cc4O)n[nH]c3C(=O)N2CCC)cc1 39914240 YIAMFPKVUPGFDF-HSZRJFAPSA-N 437.927 5.264 30 10 IKEE N#CC(Cc1ccccc1)(Cc1ccccc1)c1cn(Cc2ccccc2)c2ccccc12 48547336 MCRQPTFFXYAFHR-UHFFFAOYSA-N 426.563 6.936 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OC/C=C/c4ccccc4)ccc3C2=O)cc1 62942299 HLRSGJHQHYGOMP-IESXFDMNSA-N 425.528 6.241 30 10 IKEE Cc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4cccc(C(F)(F)F)c4)CC3)c2c1 65034384 WCACJYIRFNTWQI-UHFFFAOYSA-N 438.453 5.289 30 10 IKEE CCCCCCCCOc1ccc2ccccc2c1CNCc1ccc(C(C)(C)C)cc1 100046227 HGPPSMBUHOYRFL-UHFFFAOYSA-N 431.664 8.166 30 10 IKEE CCCCCCC/C=C/C(=O)CCCCCCCCC[C@@H](CCCCCCC)C(=O)O 100076666 LMKTZOYZOYTOMH-NODBZWTFSA-N 436.721 9.044 30 10 IKEE CCN1C(=O)C[C@H](C(=O)Nc2ccc(Cl)cc2)S/C1=N\c1ccc(C)c(Cl)c1 100194451 YRSBAFSDTNRSPK-BJUXRVGASA-N 436.364 5.282 30 10 IKEE CCN1C(=O)/C(=C(\C)c2ccc(C)c(C)c2)S/C1=N/c1nc(-c2ccccc2)cs1 101130422 RNIKORPMDKISIE-UWISNPKHSA-N 433.602 6.441 30 10 IKEE CCCCCCCOc1c(Cl)cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1Cl 101138449 OYSTUGDDHACNNK-UHFFFAOYSA-N 439.339 6.812 30 10 IKEE CCCC/N=C(\C=C1/SN(CCC)C(=S)N1c1ccccc1)c1ccc(Cl)cc1 101464469 WIORRTOUMOHFKB-UANWXEMFSA-N 444.069 6.936 30 10 IKEE CCCCCCCCCn1c([C@@H](C)NC(=O)c2ccc(Cl)cc2)nc2ccccc21 102221628 HSCWRWWMJPXYCR-LJQANCHMSA-N 426.004 6.931 30 10 IKEE CCN(Cc1ccccc1)c1ccc(/C=N\Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 169940289 RETYPPVIGFVGSO-YUMHPJSZSA-N 447.007 6.936 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1cccs1 169984051 VGVHHFYKNJJYOQ-OAQYLSRUSA-N 425.456 5.128 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccccc2F)cc1 170069927 AUTSGEIUBRMTRF-DEOSSOPVSA-N 429.491 5.788 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2c[nH]c3ccccc23)cc1 170073602 ZFYVRVPPYRGMJR-DEOSSOPVSA-N 440.474 5.652 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccccc2C)cc1 170087080 UXJIMTHLIGWGLF-RUZDIDTESA-N 440.543 5.406 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccc(C)c2)c1 170141969 VPHXLAFGZHJPPO-DEOSSOPVSA-N 427.500 5.485 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@H]1c1cccc(C)c1 170147388 NDQJEQSAUFIENZ-RUZDIDTESA-N 449.591 6.204 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2OC)[C@@H]1c1ccc(OC(C)C)cc1 170152052 PAXKFFPUOSHKSV-QHCPKHFHSA-N 437.536 5.169 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(Cl)c3)[C@H]2c2ccccn2)cc1 170170878 FMKJYBLTQXHMCO-JOCHJYFZSA-N 448.906 5.089 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@@H]1c1ccncc1 170202591 BBEHLDNUJPGAFG-HSZRJFAPSA-N 442.515 5.107 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@@H]2c2ccccc2)c1 170224234 MMABOEGWOLFYCP-RUZDIDTESA-N 441.527 5.821 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccccc2)c1 170225423 QBSQKUPTYPJBIS-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCOC(C)C)cc1 170265142 TVVBUZCXZQFKRK-RUZDIDTESA-N 443.543 5.406 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccc2C)cc1 170273151 VLSZFWQFHHXLJK-DEOSSOPVSA-N 427.500 5.485 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccco1 170284108 BDNDXGKEQUCFQL-MCMMXHMISA-N 449.890 5.348 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccco2)c1 170290358 YAEANYBXRUFWFN-OAQYLSRUSA-N 439.414 5.130 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(C)o1 170297992 NWZSGWBTTXFJAX-HXUWFJFHSA-N 437.517 5.053 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(C)o2)cc1C(C)C 170298983 GUJKEZRVTIDLTA-HSZRJFAPSA-N 449.478 5.642 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1c(C)[nH]c2ccccc12 170311948 ATSMJIINGBJYIC-DEOSSOPVSA-N 446.547 5.642 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1sccc1C 170316257 LDUIBELAAPDNNO-IBGZPJMESA-N 437.517 5.053 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1C1CCCCC1 170317568 JQKJHENNBCTSLE-OAQYLSRUSA-N 439.577 5.755 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@H]1c1sccc1C 170319307 BPBXFTRGJLXPMA-SFHVURJKSA-N 433.957 5.487 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(OC(F)(F)F)cc2)o1 170401354 MTCPOXRUVBEAHA-QGZVFWFLSA-N 449.406 5.331 30 10 IKEE COc1ccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 170428738 CKFDUKYFTFRSIE-OAQYLSRUSA-N 436.533 5.129 30 10 IKEE CCOc1cc([C@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2cccc3ccccc23)ccc1O 170464735 ODWOUPGENDQLKQ-QHCPKHFHSA-N 431.488 5.069 30 10 IKEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]3c3ccc(OC(C)C)cc3)nc2c1 170474566 SJKHHJVZHMIUKV-NRFANRHFSA-N 447.535 5.174 30 10 IKEE C=CCOc1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4n3C)C2)cc2sccc12 222374466 YSXUANSIBZCZGE-QGZVFWFLSA-N 431.561 5.373 30 10 IKEE CSc1nc(NCCNc2cccc3ccccc23)c(C#N)c(-c2cccc(Cl)c2)n1 244302669 WYRKMCSYTPHKHU-UHFFFAOYSA-N 445.979 6.068 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=Nc1ccc(C(=O)OC)cc1 252622737 OBPBUAWGQFZUQD-HJTUMBPSSA-N 435.332 5.404 30 10 IKEE COc1cc(/C=C2/SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)ccc1O 252628810 SYGYADBSIGVFRH-ZQXLJOGCSA-N 430.529 5.826 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1ccc2ccccc2c1 253574359 SMRYSZDVBXAFBD-UHFFFAOYSA-N 436.487 5.293 30 10 IKEE 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@@H]3CC[C@@]21C 254620102 KAIVGEVOBNIWLR-WSBLAIEGSA-N 428.657 5.705 30 10 IKEE O=C1C(=Nc2cccc(F)c2)c2ccccc2N1CN1CCC(Cc2ccccc2)CC1 254789836 AGIAWQKZZSPRQK-UHFFFAOYSA-N 427.523 5.205 30 10 IKEE CCOc1cc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(F)cc2)ccc1OC 526485264 DHKHPZFCGKETSC-DEOSSOPVSA-N 444.462 5.162 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)cc2F)cc1 526708750 QPFLEUVOAQKFPQ-QHCPKHFHSA-N 447.481 6.045 30 10 IKEE CCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1ccc(O)c(Cl)c1 526805841 RCCPNCMIUXFBGF-CFRMEGHHSA-N 428.989 5.672 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@](C)(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 698437758 LXLIHAMNCRJSRU-CPJSRVTESA-N 443.588 5.496 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)C1(C#N)CCN(C(=O)OCc2ccccc2)CC1 698493870 RSHAVUZTZDLYCN-UHFFFAOYSA-N 435.524 5.123 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@@]1(C#N)CCc2ccc(Br)cc21 698829552 FNUDIHSQTIAVNT-OAQYLSRUSA-N 447.760 6.209 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)cc1 698897688 ZPEJCAAIEKAVOC-LOJFUVEFSA-N 441.572 5.274 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 699659002 LYUSMQRLXPTZDP-DFBJGRDBSA-N 443.588 5.666 30 10 IKEE C[C@H]1[C@H]2CC[C@@H](C[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCC1)N2C(=O)OC(C)(C)C 709330453 KOSSIGKNTBVXTL-IYBGNGRRSA-N 433.593 5.236 30 10 IKEE 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)c1ccc(F)cc1 710715947 JBXUYMKLLLDYDZ-JVNPVLLESA-N 445.535 5.105 30 10 IKEE CC(=NN1C(=O)c2ccccc2N[C@@H]1c1ccc(Cl)cc1Cl)c1ccccc1O 725325939 PSLBUIMSVOPXPB-NRFANRHFSA-N 426.303 5.690 30 10 IKEE COc1ccc(C=Nc2nc(-c3ccc(C)cc3C)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 1084076098 YXKSSQOPQMVAOY-UHFFFAOYSA-N 443.528 6.761 30 10 IKEE C=CCn1cc(/C=C2\SC(=Nc3ccccc3)N(C3CCCCC3)C2=O)c2ccccc21 1084427054 GCSOGIKNJZEHLY-SBEYKLCGSA-N 441.600 6.764 30 10 IKEE O=c1c2sccc2nc(-c2ccccc2Cl)n1N=Cc1c(Cl)cccc1Cl 1088666983 JAJXFPSCTVMDPH-UHFFFAOYSA-N 434.735 5.967 30 10 IKEE Cc1ccc(NC(Nc2ccc(C)cc2)=C(C(=O)c2ccccc2)C(=O)c2ccccc2)cc1 1088751116 ZSBUATPZVRXKDK-UHFFFAOYSA-N 446.550 6.805 30 10 IKEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CCC[C@@H]1CC 1538983133 NZIBDNBIVMQWII-YESZJQIVSA-N 445.405 5.000 30 10 IKEE CCN1/C(=N/c2ccc(C)cc2)S[CH][C@H]1c1ccc(S(=O)(=O)N2CCCCC2)cc1 1614593168 INGXYEXGNNDUFC-ACOCPHQRSA-N 442.630 5.129 30 10 IKEE Cc1cccc(N=C2S/C(=C\c3ccc(-c4c(Cl)cccc4Cl)o3)C(=O)N2C)n1 1772732542 YEACIEVOFWXNJK-KUYAPCGNSA-N 444.343 6.191 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)SC1=Nc1nccs1 1772736331 KAHRAFWEXDFVPA-VASVRFFCSA-N 435.574 5.654 30 10 IKEE CC(C)(C)c1ccc(NC(=O)Oc2ccc(CNC(=O)c3cccc(C#N)c3)cc2)cc1 1858913216 WSFGOELNFKELPL-UHFFFAOYSA-N 427.504 5.397 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)CCc1ccc(OC)c(OC)c1 1861082490 HATBLSHQMDKXOX-QFIPXVFZSA-N 448.648 5.178 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)CCc1ccc(Cl)cc1 1861106645 NDFTYSRBVSCIBS-HSZRJFAPSA-N 437.068 6.205 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)c1cc(Cl)ccc1OC 1861541500 DNUDGIACYVKDBN-QHCPKHFHSA-N 425.013 5.504 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)CCCOc1ccc(C)cc1 1861682765 ZXAQLSVSUWOBFT-RUZDIDTESA-N 446.676 6.086 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2cccc(C)c2)cc1 1862390277 ZJWWVHNECXLKFW-SANMLTNESA-N 439.555 6.116 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCc2cnc[nH]2)cc1 1862434364 XOEPUVTZCTWQOG-JOCHJYFZSA-N 449.938 5.008 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862445604 ZPOUSUZFMSJJKP-HJPURHCSSA-N 447.918 5.688 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCOc3cc(C)cc(C)c3)[C@H]2c2ccccc2)cc1 1862475013 AXZBYUBTGOSUQM-VWLOTQADSA-N 441.527 5.269 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2cccc(C)c2)cc1 1862516168 ZSLGTBLVMROGMH-RUZDIDTESA-N 447.575 6.085 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@H]2c2cccc(F)c2)cc1 1862529031 BDLBCQCJNXPUEF-QHCPKHFHSA-N 449.909 5.820 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cccc(F)c1)c1ccc(Cl)c(Cl)c1 1862581949 SIAXRIMCGPOJID-LJQANCHMSA-N 434.294 5.653 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(F)cc1 1862590625 MDIOWZFFNWWQHS-UGKGYDQZSA-N 425.500 5.469 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc([N+](=O)[O-])c1 1862654676 PKQURQSAKKUINT-IVZQSRNASA-N 430.460 5.125 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCCCN(C)C)cc1 1862659865 FCPCDAUAMJFJLA-XMMPIXPASA-N 434.580 5.039 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1cccc(C)c1 1862698913 ODGIQQJFAILPIT-XMMPIXPASA-N 435.564 5.942 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccc(F)cc2)c1 1862703150 SDBUBXCHPXFKGG-HSZRJFAPSA-N 435.495 5.303 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2cccc(C)c2)cc1 1862712971 DXMRRIMBUSNPGG-MHZLTWQESA-N 447.534 6.235 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 1862735542 NLAKVURAUVOAST-NRFANRHFSA-N 438.455 5.035 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2Cl)=C(c2ccc(F)cc2)C1=O 1863148976 VHKPVPNHBNWLQK-UHFFFAOYSA-N 428.935 6.032 30 10 IKEE CCCOc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 1863348606 JHWXQSCMWRKVEX-WZONZLPQSA-N 443.547 5.118 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cc(C)cc(C)c2)=C(c2cccs2)C1=O 1863470928 WMKNTVYMGCZUMR-UHFFFAOYSA-N 438.637 6.698 30 10 IKEE CCCCCCCCNC1=C(c2cccs2)C(=O)N([C@@H](C)c2ccc(OC)cc2)C1=O 1863813635 SOFDQZZIGAMVAL-SFHVURJKSA-N 440.609 5.548 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1ccccc1C(F)(F)F 1866029762 GIEJNPJBJOINCD-UHFFFAOYSA-N 427.595 8.905 30 10 IKEE C[C@@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(C#N)c1)c1cccc(Cl)c1 1867184471 KCGJIAJNBMCCGL-UUOWRZLLSA-N 445.950 5.071 30 10 IKEE CCCc1nc(Nc2cccc(C#N)c2)cc(N2CCO[C@@H](c3cccc(Cl)c3)C2)n1 1868378208 IFKYPEQHYHSBLO-OAQYLSRUSA-N 433.943 5.276 30 10 IKEE Cc1ccc(C)c2c1C[C@H](C)CN2c1cc(Nc2ccc(C#N)cc2)nc(-c2cccnc2)n1 1868576377 SKNJBCCZPGQKBL-SFHVURJKSA-N 446.558 6.101 30 10 IKEE CCN(CC)CCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSC(C)C 1870232764 IUZODYRNTQPXIV-UHFFFAOYSA-N 441.641 5.063 30 10 IKEE CCCCCCCOc1cn(CCC2=CCCCC2)c(CN2CCC(C)CC2)cc1=O 1870416708 LOGHEARUSPOGRL-UHFFFAOYSA-N 428.661 6.320 30 10 IKEE C=CCOc1cn(Cc2cccnc2)c(CNc2ccc(Cc3ccccc3)cc2)cc1=O 1870810795 RTQQDUKNPUBPID-UHFFFAOYSA-N 437.543 5.059 30 10 IKEE CCCCCCN1COc2c(cc3c(c2C)O/C(=C\c2ccc(N(CC)CC)cc2)C3=O)C1 1871353619 VUXPRXHAWWONFH-XYGWBWBKSA-N 448.607 6.190 30 10 IKEE CCOc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1 1871452096 DIBQABWAXXPDFL-OYKKKHCWSA-N 429.472 5.027 30 10 IKEE CCCCCCCCCCN=c1nc(N2CCCCC2)[nH]c(=Nc2cccc(F)c2)[nH]1 1871546448 TXXFJTSNHVAWLL-UHFFFAOYSA-N 428.600 5.141 30 10 IKEE C=CCN([C@@H](C(=O)Nc1cccc(C)c1C)[C@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1872522394 YKZSFUDVTTVAQP-OPAMFIHVSA-N 449.016 5.187 30 10 IKEE N#C[C@H](C(=O)c1c(F)cccc1Cl)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872759457 OZNZVXBGOFEMLP-GOSISDBHSA-N 432.907 6.760 30 10 IKEE Cc1cccc(C)c1OCCCC(=O)[C@H](C#N)c1nc(-c2ccc(F)cc2F)cs1 1872766725 KBNRHKAYMMGYNV-SFHVURJKSA-N 426.488 5.741 30 10 IKEE CC[C@@H](C)N1C(=O)c2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)cc2C1=O 1872770368 REGSBLNINOAQJA-FOIQADDNSA-N 443.528 5.003 30 10 IKEE Cc1cc(-c2csc([C@H](C#N)C(=O)CCCOc3ccc(Cl)cc3)n2)ccc1F 1872771715 AMRLPVDYLIOVHU-GOSISDBHSA-N 428.916 5.947 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)c(Cl)c3)n2)c1C 1872778256 HGIGOYPFKKQXBZ-MRXNPFEDSA-N 429.372 6.841 30 10 IKEE CCOc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1 1872787585 NCEBJPMRERPDFW-QFIPXVFZSA-N 442.540 5.790 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Nc3ccccc3)cc2)=C(c2cc(F)cc(F)c2)C1=O 1873315673 CQUUETCRGMPLSM-UHFFFAOYSA-N 431.442 5.086 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(N(CC)CC)cc2)cc2c(N3CCCCCC3)ncnc21 1873655464 FIIRSOXAPURAQP-UHFFFAOYSA-N 446.599 5.096 30 10 IKEE Cc1c(CCC(=O)Nc2ccccc2C#N)c(=O)oc2c(C)c3occ(C(C)(C)C)c3cc12 1873868663 LZEUMKDITYGKOG-UHFFFAOYSA-N 442.515 5.897 30 10 IKEE CSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1cccc(Cl)c1 1874201877 YPAFIQJFALBYNA-ZMOGYAJESA-N 428.989 5.721 30 10 IKEE C=C(C)CSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1ccc(O)cc1 1874225395 IRAMMZOCLIDSFJ-MFKUBSTISA-N 436.581 5.163 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccc(Cl)cc3)n2/N=C/c2ccncc2)c1 1874281817 BIWHERJHOMZFDN-JVWAILMASA-N 447.995 5.595 30 10 IKEE Fc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2cccc(Cl)c2)cc1 1874409770 MLZGZCLZRCBIBM-CVKSISIWSA-N 442.991 6.368 30 10 IKEE COc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccc(Cl)cc2)cc1 1874418673 CMZMOHRAOWRQDW-WGOQTCKBSA-N 448.979 5.705 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2-c2cccs2)cc1 1874422214 AEIMIQWAUWDEOS-MFKUBSTISA-N 448.617 6.197 30 10 IKEE COc1cc(/C=N/n2c(CC(C)(C)C)nnc2SC)ccc1OCCc1ccccc1 1874435783 XDUQTTVSVBRHRJ-KOEQRZSOSA-N 438.597 5.101 30 10 IKEE CC(C)Cc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(C(C)C)cc1 1874490634 BPWXQUKPDBLYTL-OGLMXYFKSA-N 442.632 6.928 30 10 IKEE COc1ccccc1/C=N/n1c(CC(C)C)nnc1SCc1cccc2ccccc12 1874490997 VDWUXWBKCPHDGI-WGOQTCKBSA-N 430.577 5.813 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(Cl)cc1Cl 1874511149 MSXOZPJFQCMWML-FOKLQQMPSA-N 439.799 6.365 30 10 IKEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1cc(Cl)ccc1O 1874535464 IOCDCELQPCHRLP-ODCIPOBUSA-N 427.744 5.427 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Cl)ccc1OCC(=O)Nc1ccc(C)c(C)c1 1874576906 MPMNHOFHZKFWCD-FMIVXFBMSA-N 449.934 5.879 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1 1874582133 YAGCNIQFMJVOHS-RVDMUPIBSA-N 439.382 7.766 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cc(Br)ccc1OCCCO 1874584515 RZPVQGPCCFHLEL-RMKNXTFCSA-N 447.369 5.413 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cc(Cl)ccc1OCc1ccccc1F 1874592284 HWWQCNXHKPSNJC-RMKNXTFCSA-N 431.290 6.616 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)cc3C)c(OC)c2)c1 1874605796 GRTMQHVUWNTDGN-FMIVXFBMSA-N 445.515 5.234 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1cccc(Cl)c1 1874616111 KBYRPNYZQNIQIT-WEVVVXLNSA-N 447.745 7.131 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)cc1 1874616505 DRAFKLXDXXSSLV-LICLKQGHSA-N 443.543 6.006 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OCC(=O)Nc2ccc(C)cc2C)cc1 1874638675 MOLFTAWYZJLVQO-KPKJPENVSA-N 449.934 5.879 30 10 IKEE Cc1cccc(C)c1OCCCC(=O)Oc1cccc(/C=C/C(=O)c2ccccc2Cl)c1 1874697268 YTPWPFHILIGXQR-FOCLMDBBSA-N 448.946 6.618 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3cccc(C)c3C)c2)cc1 1874701209 HBFGHDYLAMSMGW-LFIBNONCSA-N 430.500 5.583 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OC(=O)Cc1ccccc1Cl 1874708056 KGNKNIQXYQDQPI-RIYZIHGNSA-N 448.946 6.516 30 10 IKEE Cc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(C(C)C)cc3)c2)cc1[N+](=O)[O-] 1874709322 AUZQNSBOETYLFV-RIYZIHGNSA-N 429.472 6.142 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC(=O)c1cnccn1 1874711090 RZCMDABCAWBXOS-SOFGYWHQSA-N 446.503 5.041 30 10 IKEE C=CCN(CC=C)CCC(=O)c1ccc(NC(=O)CCCOc2ccccc2Cl)cc1 1874751478 KPNPUUKARGQNMX-UHFFFAOYSA-N 440.971 5.385 30 10 IKEE CC(C)(C)C(=O)Oc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1Br 1875096411 MXTOHULZJDYHJU-XYOKQWHBSA-N 437.333 6.450 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2OC)cc(OC)c1OC(=O)c1sccc1C 1875119586 BPNRXOAEWVMRTL-VAWYXSNFSA-N 448.540 5.918 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)C(C)C)c(Br)c2)cc1 1875138322 LYJYTSYWXQSFEL-VZUCSPMQSA-N 431.326 5.695 30 10 IKEE Cc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2Br)c1 1875139482 KUZXLLPGRGHYRT-PKNBQFBNSA-N 449.344 6.490 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3cncc(C)c3)cc2)cc1C(C)C 1875163179 YTUDBGQDHNQEPF-DHZHZOJOSA-N 429.516 5.946 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3ccc(Cl)cc3)cc2)cc1C 1875176005 RONNAJAXVYXABS-LZYBPNLTSA-N 448.946 6.618 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)C(C)C)c(OCC)c2)c(OCC)c1 1875179378 HLSAUFXXBZEJJO-UKTHLTGXSA-N 426.509 5.340 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2ccc(OC(=O)c3cccnc3)cc2)cc1Cl 1875185432 CSOISNASUXGGHI-RMKNXTFCSA-N 428.271 5.512 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3cc(C)c(OC)cc3C)cc2)cc1 1875186540 AEOVNZKAQJNQIV-FOWTUZBSSA-N 442.555 6.309 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(C)cc3C)cc2)cc1C 1875186884 MVZYPVJJKMFSHA-FMIVXFBMSA-N 444.527 5.809 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(Cl)c3)cc2)cc1 1875187896 YAKTWPGUDHXZTE-XNTDXEJSSA-N 448.946 6.345 30 10 IKEE C=CCC[C@H](C)[C@@H](NC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875653545 ZPWNAOWZSGHDKY-UNUDWIFVSA-N 445.603 6.068 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1944588348 LCNQOCOVDRMWBE-QMHKHESXSA-N 449.979 5.669 30 10 IKEE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1(C#N)CCCCCCC1 1984691390 YXCSMIZEECGDTQ-IBGZPJMESA-N 445.563 5.036 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C1 1997228737 AEMXHQKUSXJAJV-KOSHJBKYSA-N 429.561 5.357 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C1 1997228738 AEMXHQKUSXJAJV-MHECFPHRSA-N 429.561 5.357 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)ccc1O[C@H](C)C(=O)N(C)C 2040457309 LRKMWQUIXUIRLR-CQSZACIVSA-N 436.335 5.144 30 10 IKEE C[C@H]1CN(CCCB2OC(C)(C)C(C)(C)O2)c2ccccc2CN1C(=O)OC(C)(C)C 2044531857 SMVOIBSDNLAJDE-SFHVURJKSA-N 430.398 5.115 30 10 IKEE Cc1c(Cl)cc(C[C@@]2(C=O)CCCCN2C(=O)OC(C)(C)C)cc1Br 2048495375 AWCIRPUHLARJQY-LJQANCHMSA-N 430.770 5.312 30 10 IKEE O=C(Oc1ccccc1C=C1Sc2ccccc2C1=O)c1ccc(Br)o1 2053493713 DJLKLTPGRDBWDI-UHFFFAOYSA-N 427.275 5.591 30 10 IKEE CCOC(=O)c1c(C2CCC2)nn(-c2c(F)c(F)c(F)c(F)c2F)c1C(F)(F)F 2079061296 WAWHBZZUJVNDIJ-UHFFFAOYSA-N 428.279 5.031 30 10 IKEE Cc1ccc([C@H](C(C)C)n2nc(C(C)C)c(C#N)c2I)c(F)c1F 2079874386 DMGJATNAKPFMDO-KRWDZBQOSA-N 443.279 5.315 30 10 IKEE CC1([C@H](c2ccc(C(F)(F)F)cc2)n2nc(C(F)(F)F)c(C=NO)c2Cl)CC1 2079932082 JPNWMEPFRIHFDT-ZDUSSCGKSA-N 425.760 5.772 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)C1CC(C(F)(F)F)C1 2105183376 DTUMXBNQQGCZQB-KOHJWAIASA-N 433.268 5.671 30 10 IKEE C#CC(C)(C)C[C@@H](NCCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134731830 ORUIUMJSZCFWPB-HHHXNRCGSA-N 441.615 6.935 30 10 IKEE C[C@H](NC(=O)OC(C)(C)C)c1ccc(Nc2ccc(C#N)c(Br)c2F)cc1 2162317214 YMKKTYJUSSAGDU-LBPRGKRZSA-N 434.309 5.789 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(CNc1ccc(C#N)c(Br)c1F)C2 2162383925 STSRCWFPMXKTFS-GJZGRUSLSA-N 438.341 5.050 30 10 IKEE C[C@H]1CC[C@]2(CSC(=Nc3ccc(Cl)c(I)c3Cl)N2)C1 2194661470 MWKRJSCXPKIBCM-RMLUDKJBSA-N 441.165 5.481 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NC)c1cc(Cl)cc(C)c1NC(=O)OC(C)(C)C 2212718075 BQJUMKWBGMETIE-OAQYLSRUSA-N 430.976 6.029 30 10 IKEE C=CCCCCCCCC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2214618904 RUNSQVWCDRYUIW-AREMUKBSSA-N 428.617 5.642 30 10 IKEE C=C1CC([C@H](NCC)c2sc(Br)c(Br)c2Br)C1 2216390336 CJUPXSRCGPABJP-JTQLQIEISA-N 444.030 5.652 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)cc1CC 2237544502 VFUIDXUQGJOAOF-WOJBJXKFSA-N 437.422 5.359 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 2252599665 CKJWALDYJYLAKT-MGPUTAFESA-N 449.514 5.104 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CCCCCCCCCNC(=O)OC(C)(C)C)NCC 2257273797 SWUAHHVTFBZNMG-RUZDIDTESA-N 446.676 6.383 30 10 IKEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)[C@@H](C)C(C)(C)C 2267598288 XWSFGDPQJBGCNI-FQEVSTJZSA-N 435.417 5.371 30 10 IKEE C=C(C)CCCC[C@H](O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2271755248 MCTFUBWIPRFOFP-OALUTQOASA-N 426.395 5.382 30 10 IKEE CC(C)(C)OC(=O)NC[C@H](CC(=O)C#Cc1ccc(Br)cc1)C1CCCC1 2296273817 QTLYAWZRMXBEMN-SFHVURJKSA-N 434.374 5.091 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(F)c([C@H](N)C#Cc2ccc(Br)cc2)c1F 2296304780 LCANZPSRRMMGJV-OAHLLOKOSA-N 437.284 5.126 30 10 IKEE Cc1cc(N2C(=O)C(=O)C(=C(O)c3ccc(F)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)no1 2296573934 FFAXGXFFLXBTER-NRFANRHFSA-N 434.467 5.046 30 10 IKEE COc1ccc(OCc2cc(C=CC(=O)c3ccc(-n4ccnc4)cc3)ccc2OC)cc1 2297115603 IIYXLHHZHOMYDA-UHFFFAOYSA-N 440.499 5.365 30 10 IKEE O=C1C(=Cc2cccc(Cl)c2)Oc2cc(OCc3ccc(Br)cc3)ccc21 2314437464 MZVQOWMAUUIQOY-UHFFFAOYSA-N 441.708 6.298 30 10 IKEE Cc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1cccc(C(F)(F)F)c1 2318574253 INHXOVOROHVXCC-UHFFFAOYSA-N 432.515 6.077 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)C2(NC(=O)OC(C)(C)C)CCCCC2)cc1 2318689847 FFIRPAXQRPGCHI-FQEVSTJZSA-N 443.588 5.856 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C)n2N=Cc2ccc(Cl)c(Cl)c2)c1C 2321086098 NEGRIXSOQJUHKJ-UHFFFAOYSA-N 448.379 5.123 30 10 IKEE CCCOC(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc(Cl)cc1Cl 2322390959 VPSXFWSNNLUAQU-UHFFFAOYSA-N 427.711 5.875 30 10 IKEE Cc1cc(OC(=O)c2cccs2)cc2c1C(=O)C(=Cc1c(Cl)cccc1Cl)O2 2322667571 CMADQULQWKYULK-UHFFFAOYSA-N 431.296 6.199 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccccc2OCC(=O)N[C@H](C)c2ccccc2)c1C 2322833138 YBLILSJUOXJAQR-HSZRJFAPSA-N 441.571 6.073 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2cccc(OCC(=O)OCCC)c2)cc1 2323226372 CQXBWWHEBBDUPY-UHFFFAOYSA-N 438.564 6.264 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc3ccccc23)cc1)c1ccc(Br)cc1 2323580897 ZDCKMLSEFRQMCZ-UHFFFAOYSA-N 443.340 7.077 30 10 IKEE COc1cc(Br)cc(C=NNc2nc(-c3ccccc3)c(C)s2)c1OC 2323864725 MOBBGCSZJYDPBI-UHFFFAOYSA-N 432.343 5.344 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(OCC)cc2)C3=O)cc1 2323864885 TUVQTWBLHKIZKQ-UHFFFAOYSA-N 442.467 5.486 30 10 IKEE C=C(C)COc1c(Br)cc(C=CC(=O)c2ccc(C)cc2C)cc1OCC 2323865695 OBMLRYWCAOUGAM-UHFFFAOYSA-N 429.354 6.316 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)ccc1F 2323969268 DPDBVZIUODFZRF-UHFFFAOYSA-N 449.736 7.569 30 10 IKEE Cc1ccccc1COc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 2324041765 SANVVOYHHBBGTL-UHFFFAOYSA-N 431.444 5.150 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2Cl)c(Cl)c1)c1ccc2c(c1)OCO2 2324087119 CLMVYVQLSQDIOI-UHFFFAOYSA-N 427.283 6.197 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1Cl)Nc1ccccc1F 2324241530 BVSBSHRJZWGJPS-UHFFFAOYSA-N 445.824 5.671 30 10 IKEE Cc1ccccc1OCCCCOc1ccc2c(c1)OC(=Cc1ccccc1Cl)C2=O 2324595505 RYOFLEJBKFCNFS-UHFFFAOYSA-N 434.919 6.503 30 10 IKEE COc1ccc(OC)c(C=CC(=O)[C@H](C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)c1 2324825830 CDLGQANSTJIYMV-FQEVSTJZSA-N 448.544 5.342 30 10 IKEE CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1)OC(=Cc1ccc(Br)cc1)C2=O 2325079298 XVHGPJGKSMVNEU-GOSISDBHSA-N 445.309 5.176 30 10 IKEE CCCN(CCC)C(=O)COc1cc(C)c2c(c1)OC(=Cc1ccccc1OCC)C2=O 2325198674 SNTIUJMFHFLERP-UHFFFAOYSA-N 437.536 5.037 30 10 IKEE Cc1c(OCc2cccc3ccccc23)ccc2c1OC(=Cc1cccc(Cl)c1)C2=O 2325279419 RVUBLBCTVUEXLC-UHFFFAOYSA-N 426.899 6.997 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccc(Br)cc1 2325541175 OXQPOZZGQJYBAC-UHFFFAOYSA-N 429.387 5.476 30 10 IKEE CSc1ccc(C=CC(=O)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 2325572168 SVDNJFWVCBCBKI-UHFFFAOYSA-N 433.373 5.667 30 10 IKEE COc1cc(C=C2Oc3cc(OCc4cccc(C)c4)ccc3C2=O)cc(OC)c1OC 2325720407 MWPUFRCSTPRGQM-UHFFFAOYSA-N 432.472 5.216 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OC(=O)c1cccc2ccccc12 2325739891 CEOQELLXSUUXMA-UHFFFAOYSA-N 436.507 6.581 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(OCC)c(O)c([N+](=O)[O-])c2)cc1OCCC 2325791633 ONABDDPUASBNEP-UHFFFAOYSA-N 429.469 5.173 30 10 IKEE C=CCSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1cccs1 2325913490 SEKZLSIHOZALBO-UHFFFAOYSA-N 425.366 5.386 30 10 IKEE Cc1ccc(C)c(CSc2nncn2N=Cc2ccccc2COc2ccccc2)c1 2326589048 KMRUJMMKBBTZSJ-UHFFFAOYSA-N 428.561 5.648 30 10 IKEE C=CCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc(N(CC)CC)cc1 2329121032 IILJJIUXWMSPHB-UHFFFAOYSA-N 440.016 5.529 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccc(C)cc3)n2N=Cc2ccccc2)cc1 2329242473 RUVOAXJFQXNTTM-UHFFFAOYSA-N 428.561 5.360 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2C)n1N=Cc1cccc(O)c1 2329475291 SQMINDGJNOBGLI-UHFFFAOYSA-N 442.588 5.560 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2F)n1N=Cc1ccccc1 2329487419 SCEHUJHFPWUUIP-UHFFFAOYSA-N 430.552 5.685 30 10 IKEE C=C(C)CSc1nnc(CC2CCCCC2)n1N=Cc1ccc(Br)cc1 2330269792 TWOYRBGQFNHHJU-UHFFFAOYSA-N 433.419 5.714 30 10 IKEE Clc1ccc(CSc2nnc(-c3cccs3)n2N=Cc2ccc[nH]2)cc1Cl 2330608615 CTGDVJHHRYOSMQ-UHFFFAOYSA-N 434.377 5.816 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3ccco3)c(Br)c2)c1 2330784130 BXFVLOFXYCBVRV-UHFFFAOYSA-N 427.250 5.166 30 10 IKEE CSc1nnc([C@@H]2CCCO2)n1N=Cc1c(OCc2ccccc2)ccc2ccccc12 2330883113 OSMXBONYELZRGH-QHCPKHFHSA-N 444.560 5.466 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)cc(Cl)c1OC(=O)C1CCCC1 2330973773 CTDGAEBQABBRFL-UHFFFAOYSA-N 428.912 5.739 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2Br)cc1)c1ccc(F)cc1F 2331084627 SXHWRSQDMKOIGM-UHFFFAOYSA-N 443.243 5.843 30 10 IKEE C[C@@H](C(=O)Oc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1Cl)c1ccccc1 2331123109 DYFYIMFVBJIOSR-MRXNPFEDSA-N 425.311 6.599 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2Cl)c(Cl)c1)c1ccc(Cl)cc1 2331142817 WKHBSBSEVVYDOD-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)cc([N+](=O)[O-])c1OC(=O)c1ccco1 2331150257 UTOJSVTWKKRORA-UHFFFAOYSA-N 441.823 5.355 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)cc([N+](=O)[O-])c1OC(=O)CC(C)(C)C 2331150355 OQHAJPSMPZCKOE-UHFFFAOYSA-N 445.899 5.885 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OC(=O)c1cc2ccccc2n1C 2331159693 CVEXTZDYYQGDHC-UHFFFAOYSA-N 445.902 5.956 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc(Br)c2)c(Cl)c1)c1ccccc1 2331165899 PZPVVZDDGCDSRK-UHFFFAOYSA-N 441.708 6.218 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)CCCOc1ccccc1C 2331184589 KQWXITSDUCHZLJ-UHFFFAOYSA-N 430.500 5.664 30 10 IKEE CCCCCCC(=O)Oc1c(OC)cc(C=CC(=O)c2ccc(OCC)cc2)cc1OC 2331193902 DFDNJOVMLQMWKL-UHFFFAOYSA-N 440.536 5.874 30 10 IKEE O=[N+]([O-])c1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2-c2ccco2)cc1 2331211150 BLVNHWVACFYTCZ-UHFFFAOYSA-N 439.884 5.274 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1OC(=O)CCCSC 2331281177 PUGUUYLTCHKSJB-UHFFFAOYSA-N 443.521 5.247 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 2331349277 GYFBTAIRAOHNIW-UHFFFAOYSA-N 448.534 6.161 30 10 IKEE Cn1cc(C=Nn2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C(C)(C)C)c2ccccc21 2331385430 CQGMBKAWMZDRBK-UHFFFAOYSA-N 448.552 5.150 30 10 IKEE CCOc1ccc(C=Nn2c(CC(C)C)nnc2SCc2cccc(F)c2)cc1OC 2331443659 DPFXJHJYZGZEHR-UHFFFAOYSA-N 442.560 5.198 30 10 IKEE CCC(=O)Oc1c(Cl)cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc1OC 2331545196 BTABRJYZMFZDFC-UHFFFAOYSA-N 430.928 5.866 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C(C)C)cc1 2331705839 SKYZKDAHDRTQQT-UHFFFAOYSA-N 428.605 6.853 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)CC(C)(C)C)c(OC)c2)c(OC)c1 2331716594 NPROKYGGIPQMRA-UHFFFAOYSA-N 446.927 5.604 30 10 IKEE OCCC#Cc1ccc(CN(Cc2ccccc2)CC2CCCC2)cc1Br 2377349888 JNHUKBLIPSYJIP-UHFFFAOYSA-N 426.398 5.375 30 10 IKEE CC(C)[C@@]1(CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@@H]1C 4096249 XUBCLKHKJZCPFZ-UMKPQZCOSA-N 428.701 7.156 30 10 IKEE in-vitro O=C1N/C(=N\c2cccc(C(F)(F)F)c2)S/C1=C\c1cccc(OC2CCCC2)c1 15016386 YFKHYGLIMXDITI-UNOMPAQXSA-N 432.467 5.918 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)cc2Cl)cc1 21241268 GHMVZFHOEOAJFA-KBXCAEBGSA-N 430.331 5.396 30 10 IKEE C=CCOc1cccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(C)cc3s2)c1 33271543 GUTXDTFTBAZCKA-SFHVURJKSA-N 430.533 5.138 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1 35444282 GKCPVUBWGGFHAZ-PBWBSBDWSA-N 443.499 5.247 30 10 IKEE O=C1/C(=N\Nc2c3ccccc3nc3ccccc23)c2ccccc2N1Cc1ccccc1 39557500 UFOABJJINZXSGN-QVTSOHHYSA-N 428.495 5.751 30 10 IKEE C=CCOc1ccc([C@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCCC)cc1OC 39910637 KVHJOZWJXXXAED-QHCPKHFHSA-N 447.531 5.329 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc(OC)cc3)cc(C)c2C1=O 41285331 OFPVSMTZQZMZHA-UCQKPKSFSA-N 430.456 5.238 30 10 IKEE CC(C)(C)c1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccncc3)CO4)C2=O)cc1 41659280 KDRWOMSRJNXBJH-OYKKKHCWSA-N 426.516 5.347 30 10 IKEE Cc1ccc(-n2nc(C)c(/C=N/Nc3ccc(I)cc3)c2C)cc1C 59165897 IJKXZEXISSACCY-WSDLNYQXSA-N 444.320 5.157 30 10 IKEE Cc1cc(C)c(/C(CSc2nc3ccccc3o2)=N\Nc2ccc([N+](=O)[O-])cc2)cc1C 59460533 NCKYIQJLIZGLSO-QYQHSDTDSA-N 446.532 6.270 30 10 IKEE CCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@]12C 97978340 JKWKMORAXJQQSR-BKOXWDCJSA-N 428.657 7.181 30 10 IKEE in-vitro C=CCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)S/C1=N/c1cccc(C(=O)O)c1 101132881 DJOOOLQPFVEPRT-PQUPTFKKSA-N 433.316 5.482 30 10 IKEE CCCCCCCCCCn1c(/C=C/c2c(Cl)cccc2Cl)nc2ccccc21 101263324 TWBVXYZRFMLPJD-ISLYRVAYSA-N 429.435 8.654 30 10 IKEE O=C(/C=C1/NCCc2cc3c(cc21)OCCCO3)CCCOc1ccc(Cl)cc1Cl 102606372 IARRSMQUTGESDU-DEDYPNTBSA-N 448.346 5.070 30 10 IKEE O=C1/C(=C\c2ccccc2Cl)Oc2cc(OS(=O)(=O)c3ccc(Cl)cc3)ccc21 102767714 HIAXUMMNQYNGAQ-RGVLZGJSSA-N 447.295 5.377 30 10 IKEE CCCCCCCCCCCCOC[n+]1cn(CCN2CCCCC2)c2ccccc21 103005491 PWMIUJGTYXOOKC-UHFFFAOYSA-N 428.685 6.310 30 10 IKEE O=C(/N=C1\N=C/C(=N/Nc2cccc(C(F)(F)F)c2)S1)c1ccc(Cl)cc1Cl 105885597 ORKVDDSDMFJVNT-ZPFKXTQVSA-N 445.253 5.752 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@H](c2ccccc2OCc2ccccc2)NC(=S)N1C 169934691 JKLGNOCTPLPNBZ-DEOSSOPVSA-N 428.557 5.284 30 10 IKEE CCCOc1c(OC)cc(/C=N\Nc2nc(-c3ccc(OC)cc3)cs2)cc1OC 169943075 JIDKNSOQGAJHEO-QRVIBDJDSA-N 427.526 5.071 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2cccc(C)c2)cc1 169970455 LQHXIESLJYBWMT-XMMPIXPASA-N 427.500 5.349 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@H]2c2ccccn2)cc1C 169993097 AETPAYWMUIDDBB-NRFANRHFSA-N 436.870 5.274 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2ccc(C)cc2)c1 170036990 BDOJNCNBAITYFV-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@H]2c2ccc(F)cc2)c1 170065658 MPZQRIMARBTOJV-QFIPXVFZSA-N 441.462 5.102 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1ccc(OC)cc1 170116082 HODSNHADBOFSNL-HSZRJFAPSA-N 435.564 5.680 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@@H]1c1ccc(OC)cc1 170116585 JZOIADRTPYOWIV-QFIPXVFZSA-N 437.536 5.089 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc(OCC(C)C)c3)=C(O)C(=O)N2C2CCCCC2)c1 170145272 LBKHJGIRMADMPQ-VWLOTQADSA-N 447.575 5.941 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1OC(C)C 170151280 KIJBSZFBURASHE-FQEVSTJZSA-N 448.346 5.769 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC)c2)[C@H]1c1cccc(OC(C)C)c1 170153006 XSYHTGIOUCZISY-HSZRJFAPSA-N 437.536 5.251 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccs2)cc1 170157722 JYQRVBYIJYAVAT-IBGZPJMESA-N 425.893 5.193 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@H]1c1ccc(OCC)cc1 170213790 QJBQXEDCNURXPZ-HSZRJFAPSA-N 437.536 5.089 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2cccc(O)c2)c1 170257729 DIDDYFHFJBLMLR-QHCPKHFHSA-N 447.462 5.101 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)c(Cl)c2)[C@@H]1c1ccc(CC)cc1 170267921 JRLGKUSMPHNTLD-IBGZPJMESA-N 448.346 5.553 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccco2)cc1C(C)C 170285939 RKPHNUYJLHTTDZ-DEOSSOPVSA-N 445.515 5.811 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1ccco1)c1cccc2ccccc12 170290471 KEQXJIMDAIZENS-QFIPXVFZSA-N 431.394 5.494 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2ccccc2C)o1 170305643 HODXEUOKSIDSQS-WAIKUNEKSA-N 429.472 5.003 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@H]1c1c(C)[nH]c2ccccc12 170312089 QRYATCLGSPJZLW-OAQYLSRUSA-N 438.911 5.127 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C)cc2C)cc1 170454402 QHMOFRXCJFPATH-XMMPIXPASA-N 444.531 5.526 30 10 IKEE CN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1cccc2ccccc12 252594296 BQLAPSVLVYMZJW-QHCPKHFHSA-N 439.540 5.583 30 10 IKEE CCOc1ccc(/C=C2\SC(=Nc3ccccc3)N(CCOC)C2=O)c2ccccc12 252626123 QXBDYDYTACEPOV-CMEWOCMCSA-N 432.545 5.489 30 10 IKEE C(/C=C\c1ccccc1)=NN=C(NN=C/C=C/c1ccccc1)NN=C/C=C/c1ccccc1 254482929 HZUAMPDDPCIIEZ-KCIRJQJUSA-N 446.558 5.619 30 10 IKEE O=C1Nc2ccccc2/C1=C1/SC(=Nc2ccc(F)cc2)N(c2ccc(F)cc2)C1=O 254527433 XXXZJQNYFCICPR-KYAAWVSQSA-N 433.439 5.096 30 10 IKEE O=S(=O)(NCc1ccc(C=Nc2ccc(OCc3ccccc3)cc2)o1)c1ccccc1 254601827 WLVBHWBEGVDVHV-UHFFFAOYSA-N 446.528 5.088 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cn(C)c3ccccc23)cc1 526484138 AYBUPYPOUKBNNI-AREMUKBSSA-N 449.510 5.506 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cn(C)c3ccccc23)cc1 526485282 DUIYXRGNXBUUFG-RUZDIDTESA-N 435.483 5.116 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccc(C)c2)cc1OC 526486930 RPEUMCDALVJBRM-RUZDIDTESA-N 440.499 5.331 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(N(C)C)cc2)c1 526516019 LOWMYQFJSWCSKD-VWLOTQADSA-N 439.515 5.080 30 10 IKEE CCCCOc1cccc([C@@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)c1 526520905 IZWVYGAPUVOSSZ-AREMUKBSSA-N 438.527 6.103 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2cccc(O)c2)c1 526809166 WOERTTWXBQORMM-ONUIUJJFSA-N 428.561 5.252 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1c(O)ccc2ccccc12 526809933 YBKAIZFRRYOVTO-YSMPRRRNSA-N 430.577 5.881 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccc(C(F)(F)F)cc1 526811550 OAHMYMADQPKSQV-ROTLSHHCSA-N 438.906 6.077 30 10 IKEE N#Cc1cccc(/C=C/c2nc(Cc3nc(O)c4c(-c5ccccc5)csc4n3)no2)c1 546248359 WDQCJPHQJCJPHU-MDZDMXLPSA-N 437.484 5.080 30 10 IKEE Cc1ccc(C)c(N(C(=O)c2cccc(C#N)c2)S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 586293049 UVRUBPWRCWZFJA-UHFFFAOYSA-N 446.572 5.508 30 10 IKEE N#Cc1cccc(NC(=O)c2ccc(NC(=O)NC(c3ccccc3)c3ccccc3)cc2)c1 586615367 DAFSEVACHIEYBU-UHFFFAOYSA-N 446.510 5.722 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1ccc2c(c1)CCO2 698482799 QYACDAZTXVFZHB-GOSISDBHSA-N 429.314 5.390 30 10 IKEE Cc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)c(Br)c1 698957541 OSZCANZXVHIFIF-GOSISDBHSA-N 435.749 6.417 30 10 IKEE CCCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@H]1[C@@H]1CCCCN1C(=O)OC(C)(C)C 698971036 XSJSQGKKRSINKD-JXQFQVJHSA-N 435.609 5.486 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H]2CC[C@](C#N)(N(C(=O)OC(C)(C)C)C3CCCCC3)[C@H]1C2 721746203 IHQRUQIQYOBFLR-RQBNJVACSA-N 447.620 5.628 30 10 IKEE N#Cc1ccc(/C(O)=C(/C(=S)Nc2cccc(OC(F)(F)F)c2)[n+]2ccccc2)cc1 762439905 PIHRDWWWJGEGEC-UHFFFAOYSA-O 442.442 5.068 30 10 IKEE C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C=Nc2ccc3c(c2)oc2ccccc23)[C@H](C)C1 1083999039 MYJMTEJTKDRHMF-QZTJIDSGSA-N 427.504 6.870 30 10 IKEE Cc1cccc(CSc2nc3ccc(N=Cc4ccc(O)c([N+](=O)[O-])c4)cc3s2)c1 1084095422 WLSYXNRTTMJMOR-UHFFFAOYSA-N 435.530 6.261 30 10 IKEE Oc1ccccc1C=Nc1cc(C(F)(F)F)ccc1Oc1ccc(C2CCCCC2)cc1 1084275480 QJOCFGMWNMQBID-UHFFFAOYSA-N 439.477 8.002 30 10 IKEE CCCCC(C)=NNc1nc(SCCC(=O)Nc2ccc(Cl)cc2Cl)n[nH]1 1084313429 MXEKBYNZGSMQOY-UHFFFAOYSA-N 429.377 5.210 30 10 IKEE CC(C)(C)c1ccc(/C=N\N=C2/S/C(=C\c3ccccc3)C(=O)N2Cc2ccco2)cc1 1554646084 GHMHMBWYHDUHAO-QLPPCVCKSA-N 443.572 6.084 30 10 IKEE CCCCCCCCNC(=O)[C@H](C)NC(=O)c1ccc2nc(-c3cccc(C)c3)[nH]c2c1 1861442660 WSSKQZWTCCWKLN-IBGZPJMESA-N 434.584 5.133 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)c1cccc(OCC(C)C)c1 1861757160 BCHUMCCGNIGRNA-XMMPIXPASA-N 432.649 5.877 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862408376 KOKMSGQNRZSREI-RBZFPXEDSA-N 448.346 5.687 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2cccs2)cc1 1862412622 JCEFKLNUKAIJLT-FQEVSTJZSA-N 425.456 5.113 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccccc2Cl)=C(O)C(=O)N1Cc1ccc(F)cc1 1862429147 GYHMNRACJUYAMJ-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)cc1 1862431914 RHKSDRIZABVHNO-GJULWVSJSA-N 439.939 5.506 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccccc1Cl)c1ccccc1Cl 1862432452 FGGYRUNALPJXSB-NRFANRHFSA-N 444.358 6.295 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc2cc[nH]c2c1 1862476461 AKYABMUINBHIFM-WIOPSUGQSA-N 444.575 6.414 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 1862482414 QIIPMJDFCXBQAT-FQEVSTJZSA-N 441.405 5.385 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc(C(=O)O)cc2)c1 1862493586 UBZRWYYPGBHVJA-OAOOKAIFSA-N 447.531 5.159 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@@H]2c2ccccc2C)ccc1F 1862507255 HPTAIWMFKYUIOS-XMMPIXPASA-N 445.490 5.100 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccc(O)cc2)ccc1F 1862508132 XNBZIXWDMOUAKF-HJPURHCSSA-N 431.463 5.179 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2ccccc2F)cc1 1862530827 YPVGTXSNQKBHFY-XMMPIXPASA-N 429.491 5.475 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)cc1 1862543702 NBSRJCIWICRTRQ-GJQIQAERSA-N 443.587 6.031 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCC(C)C)cc1 1862601150 XPQLXPRPNBEFJQ-HSZRJFAPSA-N 437.536 5.196 30 10 IKEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2cccc(C)c2)cc1 1862733754 WQLYOJDJXIPQRW-RUZDIDTESA-N 447.575 6.085 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 1862750926 GBRDVGKEAVNFBC-OAQYLSRUSA-N 448.862 5.027 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(F)cc3Cl)C(=O)N(c3cccc(C#N)c3)C2=O)cc1C 1862879131 JJYMZDLWDZMQEH-UHFFFAOYSA-N 445.881 5.364 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C(F)(F)F)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862896435 NRXXJSUBIUXHRC-UHFFFAOYSA-N 447.416 5.282 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccccc3Cl)C2=O)c1 1863445801 KYKDOXOHEFJMNM-UHFFFAOYSA-N 441.918 5.221 30 10 IKEE Cc1nc(Nc2cccc(C#N)c2)cc(N2CCC[C@@H](C(=O)CCCc3ccccc3)C2)n1 1868466858 GMYUTSYYEDSIKY-HSZRJFAPSA-N 439.563 5.209 30 10 IKEE CC(C)c1ccc(Cn2nnc(C#N)c2NC(=O)c2cccc(Oc3ccccc3)c2)cc1 1870109988 UHWPHQIJNZWVLC-UHFFFAOYSA-N 437.503 5.366 30 10 IKEE CCCCCCOc1ccc(C(=O)Nc2c(C#N)nnn2-c2ccc(CCCC)cc2)cc1 1870144072 MVBZWQBHTKUSCM-UHFFFAOYSA-N 445.567 5.693 30 10 IKEE CCCCCCCCCCn1cc(OCc2cccc(F)c2)c(=O)cc1CSC(C)C 1870167620 ZHCJSDDCDQVZGV-UHFFFAOYSA-N 447.660 7.349 30 10 IKEE Cc1ccc(Cn2cc(OCc3ccc(C#N)cc3)c(=O)cc2CN2CCCCCC2)cc1 1870350779 WBNZYXMBOVKMHZ-UHFFFAOYSA-N 441.575 5.032 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCC2CCCCC2)cn1Cc1ccc(OC)cc1 1870483912 PBCYBHLEIWASGO-UHFFFAOYSA-N 436.596 5.038 30 10 IKEE CCCCCCCCCCn1cc(OCCCC)c(=O)cc1CNc1cccc(OC)c1 1871112805 UWZKQOCBVHISTM-UHFFFAOYSA-N 442.644 6.789 30 10 IKEE CCCCCCOc1ccc(NS(=O)(=O)c2oc(-c3ccc(C)cc3)nc2C#N)cc1 1871281864 HOKIOXYZMQGIFU-UHFFFAOYSA-N 439.537 5.282 30 10 IKEE N#Cc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(Cl)c(Cl)c3)n2)c1 1871317769 FWXNXJZTWLFZLM-UHFFFAOYSA-N 434.286 5.365 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc(F)cc4)ccc3C2=O)cc1 1871366057 PSLWMWPMJFWWIA-XGAOGLQDSA-N 428.459 6.184 30 10 IKEE CCOc1ccc(OCC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871366330 FJXXNMJYIYDGAC-OYKKKHCWSA-N 444.483 5.303 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(Cl)c(Cl)c4)ccc3C2=O)cc1 1871372424 QQKNDDIBKZATBQ-FBHDLOMBSA-N 425.267 6.137 30 10 IKEE Cc1c(OC(=O)c2cccc(Oc3ccccc3)c2)ccc2c1O/C(=C\c1ccccc1)C2=O 1871379849 YTSRAEPFPRPEBW-ONUIUJJFSA-N 448.474 6.623 30 10 IKEE CC(C)(C)c1ccc(/C=C2\Oc3cc(OCc4cccc5ccccc45)ccc3C2=O)cc1 1871433926 JFFIRONHHUSZLC-QRQIAZFYSA-N 434.535 7.333 30 10 IKEE CC(=O)c1cccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2cccc(C)c2)C3=O)c1 1871438836 UNJPJSJQDHGVMX-CFRMEGHHSA-N 441.483 5.140 30 10 IKEE CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccccc2)C3=O)cc1 1871449423 WMASJVYGDKBYKC-XHFXOGKZSA-N 441.483 5.220 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(ccc(OCCN4CCCCC4)c3C)C2=O)cc1 1871451177 HZXMNXUVWGUPET-PLRJNAJWSA-N 434.580 5.322 30 10 IKEE CCCCCCCCCCN=c1nc(N2CCCC2)[nH]c(=Nc2cccc(Cl)c2C)[nH]1 1871492424 CEZMMIVMDPEXEV-UHFFFAOYSA-N 445.055 5.574 30 10 IKEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1ccc(C)cc1 1871827595 SMOSBOYMADBIHW-XMMPIXPASA-N 442.625 5.322 30 10 IKEE N#C[C@H](C(=O)CCOc1ccccc1)c1nc(-c2cccc(Br)c2)cs1 1872763443 MHQJEPHVCZPDHP-QGZVFWFLSA-N 427.323 5.218 30 10 IKEE Cc1ccc(C)c(-c2csc([C@H](C#N)C(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)c1 1872772020 IFLMKTPMRQPNIL-OAQYLSRUSA-N 445.588 5.331 30 10 IKEE CC(C)COc1cccc(C(=O)[C@@H](C#N)c2nc(-c3cccc4ccccc34)cs2)c1 1872775001 IHNUVFRPDPAFBQ-HSZRJFAPSA-N 426.541 6.488 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(OCC(C)C)c3)n2)c(OC)c1 1872783948 LZZMQFKOKCUGNW-FQEVSTJZSA-N 436.533 5.352 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 1872786514 MEHKHUZCBZOIPX-INIZCTEOSA-N 441.896 5.487 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 1872881935 SWLMFJWPQARLOK-UHFFFAOYSA-N 449.683 5.875 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H]2CCCC[C@H]2C)=C(c2cc(F)cc(F)c2)C1=O 1873113879 FXIKXNKSRKPUHG-UTKZUKDTSA-N 432.555 5.574 30 10 IKEE CCCc1nnc(SCc2c(Cl)ccc(Cl)c2Cl)n1/N=C/c1ccc(C)[nH]1 1873500741 BCWQTAZMRSBYBM-LSFURLLWSA-N 442.803 6.002 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)cc2C)cc2c(NCc3ccc(F)cc3)ncnc21 1873611469 BMWFYCBFWQDTBU-UHFFFAOYSA-N 449.917 5.583 30 10 IKEE CSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1cc(Cl)ccc1O 1874203487 DNJOMZLWMFDUAD-ODCIPOBUSA-N 443.743 5.127 30 10 IKEE CCCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(O)c(OC)c1 1874271083 DHNHQIBNRBPOGQ-PCLIKHOPSA-N 432.549 5.121 30 10 IKEE Fc1ccc(CSc2nnc(CCc3ccc(Cl)cc3)n2/N=C/c2ccco2)cc1 1874280791 AZNURIOITVAZGF-AFUMVMLFSA-N 440.931 5.623 30 10 IKEE CCCCC1CCC(c2nnc(SCC)n2/N=C/c2ccc(O)c(OCC)c2)CC1 1874285062 NESDPRYLMOZERH-LFVJCYFKSA-N 430.618 5.841 30 10 IKEE CCCSc1nnc(CCc2ccc(OC)cc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874307880 UVDUAXMFOWSLGF-NLRVBDNBSA-N 436.625 5.754 30 10 IKEE CCSc1nnc(CCc2ccccc2OC)n1/N=C/c1c(Cl)cccc1Cl 1874313183 IDFZCPHOIIXYPL-YDZHTSKRSA-N 435.380 5.373 30 10 IKEE C=CCSc1nnc(COc2cccc(C)c2C)n1/N=C/c1cccc(OCCC)c1 1874324354 ASPAXFOIVHTXNL-PCLIKHOPSA-N 436.581 5.423 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccc(C)cc3C)n2/N=C/c2ccccc2)cc1 1874325470 QQYWYVFBSXTWHQ-JVWAILMASA-N 442.588 5.957 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2/N=C/c2ccco2)cc1C 1874359158 RYRRCUQRNUMNNJ-AFUMVMLFSA-N 436.968 5.907 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccccc2Cl)n1/N=C/c1cccc(O)c1 1874364794 VGBUVPQFOVTFQR-AFUMVMLFSA-N 434.952 5.787 30 10 IKEE Oc1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SCc2ccccc2F)cc1 1874375842 QJRWEMHARCXXMA-VULFUBBASA-N 436.487 5.027 30 10 IKEE C(=N/n1c(CC2CCCCC2)nnc1SCc1ccccc1)\c1c[nH]c2ccccc12 1874407821 QUYIDVQNEPBELT-WPWMEQJKSA-N 429.593 6.057 30 10 IKEE Cc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2cccc3ccccc23)cc1 1874439956 BUILSWIDDGWIKM-WPWMEQJKSA-N 428.605 6.503 30 10 IKEE Clc1ccc(/C=N/n2c(SCc3ccccc3)nnc2[C@@H]2CCCO2)cc1Cl 1874445888 NPKONGNBFKEPPD-KCDOPAPYSA-N 433.364 5.611 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(Cl)cc2)c1OCC(=O)N[C@@H](C)c1ccccc1 1874578594 WPYSGNRGWYLRIG-QCUIPMNBSA-N 449.934 5.501 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2cc(C)ccc2C)c(C)c1C 1874586505 QLEUOERXAKHCII-WYMLVPIESA-N 430.544 6.413 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccccc1OCc1c(Cl)cccc1Cl 1874591924 JBGWGHIYLAHKNN-PKNBQFBNSA-N 447.745 7.131 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OCC(=O)Nc2ccc(C)c(C)c2)c1 1874596801 DIVDUOLAQYQQLS-ZRDIBKRKSA-N 429.516 5.534 30 10 IKEE CCCN(CCC)C(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccccc2)cc1OC 1874614141 GWLQXPDSQHLWGZ-VAWYXSNFSA-N 429.944 5.272 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OCc3cccc4ccccc34)c([N+](=O)[O-])c2)ccc1F 1874618489 CYVIPCQVUWXVIR-UKTHLTGXSA-N 441.458 6.671 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cc(Cl)c(OCCCO)c(OCC)c2)c1 1874629927 BQHVCBCWIGIIGB-CSKARUKUSA-N 448.943 5.193 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OCc2ccc(C)cc2)c(Cl)c1 1874633581 KPQUFBMYCWBOAZ-CSKARUKUSA-N 441.354 7.094 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)ccc1OCc1cccc(F)c1 1874634923 ABDAXIQSUGNCJK-SDNWHVSQSA-N 446.562 7.305 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)ccc1OCCc1ccccc1 1874637845 VHLLUTZQHSVTRE-ACCUITESSA-N 430.544 6.228 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1OC(=O)CCc1ccccc1 1874692633 PZJDAWMJRNCLQI-LFIBNONCSA-N 436.507 6.283 30 10 IKEE COc1cccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(-c4ccccc4)cc3)c2)c1 1874694919 BDVYIZZLXVWWSW-QGOAFFKASA-N 434.491 6.478 30 10 IKEE Cc1cc(OCC(=O)Oc2cccc(/C=C/C(=O)c3cccc(Cl)c3)c2)ccc1Cl 1874699477 XEQOTWQMJDVQKF-DHZHZOJOSA-N 441.310 6.182 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(Oc4ccccc4)cc3)c2)c1 1874712676 LAHFQKUOHHYTMA-LFIBNONCSA-N 448.518 7.211 30 10 IKEE COc1ccccc1C(=O)Oc1cccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)c1 1874715691 HMAGXKLEYUEIMP-JQIJEIRASA-N 428.528 6.416 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC(=O)c1cccc(C)c1 1875085246 WNWRDHQGQIBNJL-ZHACJKMWSA-N 447.443 5.036 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccc(OC)cc3)c(Cl)c2)cc1 1875100152 QRCIFWCAJVZSTG-OVCLIPMQSA-N 448.946 6.345 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3sccc3C)c(Cl)c2)cc1 1875129615 LPKJVPPIQIUWCD-ONNFQVAWSA-N 426.921 6.224 30 10 IKEE CC(C)(C)CC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 1875132801 OUUUSQOAAYSSCA-XBXARRHUSA-N 436.291 6.139 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OCCC)cc3)cc2)CC1 1875137214 BKZCWQIGVIZHAJ-RGVLZGJSSA-N 448.603 7.274 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)COCc3ccccc3)cc2)cc1 1875137658 XVYHZPNQSXSXEU-LICLKQGHSA-N 430.500 5.494 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccccn3)c(Br)c2)c1 1875139602 QCOHGTAYKDVAQY-CSKARUKUSA-N 436.305 5.576 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1ccc(C)c(C)c1 1875163882 IECFNHBZQMLSSW-IZZDOVSWSA-N 436.454 6.096 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3)c([N+](=O)[O-])c2)c(C)c1C 1875166893 JXYPBUWNNZKMMQ-FMIVXFBMSA-N 445.471 5.264 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)cc2OC)cc1OC 1875177951 OFQYZNBODGZVLE-GXDHUFHOSA-N 426.509 5.484 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)c1ccncc1 1875181660 QTXZMVWOPWMLPN-AATRIKPKSA-N 435.907 5.784 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc(Cl)c1OC(=O)C1CCC1 1875184865 VGORKBQCLRODKJ-ZRDIBKRKSA-N 440.967 6.556 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H]3CCCO3)c(Cl)c2)c2ccccc12 1875190409 LPMPAEPRVSSJQV-DDVUFSRBSA-N 436.891 5.482 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N1CCCCC1)n2Cc1ccco1 1875233509 FGSWANMVOPHOJY-UHFFFAOYSA-N 437.588 5.471 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(-c4nccs4)s3)cc21 1890654304 UYUNFFQLASCOTQ-UHFFFAOYSA-N 439.562 5.062 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(F)c(C(F)(F)F)c3)ccc21 1891263431 VWSHSBNOFZBHCM-UHFFFAOYSA-N 436.405 5.034 30 10 IKEE CC(C)(C)OC(=O)N(CCN=[N+]=[N-])[C@@H](C#N)c1ccc(Cl)c(Br)c1F 1912157231 SBDYXLXOKJIFQM-NSHDSACASA-N 432.681 5.354 30 10 IKEE C=C(COCc1ccccc1)[C@H](NC)c1cc(Br)ccc1Br 1922067624 COPDMSDHWJRVGS-SFHVURJKSA-N 425.164 5.245 30 10 IKEE CCCCCCCCCCCC[C@@H](N)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2034426241 KIDRKNXLYOGFKY-JWQCQUIFSA-N 448.692 6.735 30 10 IKEE CCN1CC(=Cc2ccccc2OC(F)F)C(=O)C(=Cc2ccccc2OC(F)F)C1 2040463942 TXHCLNMMWYZGSW-UHFFFAOYSA-N 435.417 5.261 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@@H]2C2CC2)cc1 2067979883 MHAPHWQYEMHKMM-NLFFAJNJSA-N 441.572 5.418 30 10 IKEE C=C(C)CC[C@@H](NCCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071266735 HXSAQXVRBSMOPI-HHHXNRCGSA-N 429.604 7.242 30 10 IKEE CC(C)(C)[C@@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)F)c(C=NO)c1Cl 2079984805 LIWMTANZIFUNLR-CYBMUJFWSA-N 427.776 6.076 30 10 IKEE N#Cc1c(C2CCCCC2)nn(Cc2cccc(Br)c2F)c1Br 2080304281 RAIPUZKWUHUTPL-UHFFFAOYSA-N 441.142 5.515 30 10 IKEE O[C@@H](CC#CC1CCCCC1)c1cc(I)ccc1Br 2093457358 LITAEODSKXKABX-INIZCTEOSA-N 433.127 5.061 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)C1(C#N)C[C@@H]2CCC[C@H](C1)S2 2129832124 PVJNTPDIMMVFNW-XEWABKELSA-N 437.403 5.901 30 10 IKEE CN(c1cc(Br)c(C#N)cc1F)[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21 2190460627 PSDUOWBDMZVXHO-NWUWZPLHSA-N 429.333 5.280 30 10 IKEE Cc1ccc(NC(=O)OC(C)(C)C)cc1CNc1cc(Br)c(C#N)cc1F 2203816912 OHLNTGHJAAFXJT-UHFFFAOYSA-N 434.309 5.727 30 10 IKEE CCCCCCCC[C@H](C(N)=O)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2207466734 CRQLUUFYMZOZEP-GOSISDBHSA-N 441.410 5.795 30 10 IKEE N#C[C@@H](C(=O)c1scc(Br)c1Br)c1ccc(F)c(Cl)c1 2233373095 TWDLGRYSKGGVHR-SSDOTTSWSA-N 437.515 5.556 30 10 IKEE C=C(C)CC[C@H](NCCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237408607 IOKKUFDUXYIVER-PMACEKPBSA-N 439.438 5.609 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)CC1 2250516558 JQGMCARRHLOBHZ-DEOSSOPVSA-N 435.609 5.630 30 10 IKEE C=CCCC1(C(=O)c2cccc(Br)c2Cl)CN(C(=O)OC(C)(C)C)C1 2254925939 RVZXJPJZWFHKPV-UHFFFAOYSA-N 428.754 5.489 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)[C@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 2258090853 LBCSPFDLQOHWEW-ARJLHZIISA-N 447.620 5.532 30 10 IKEE CC1(C)OB(c2ccnc(Nc3ccc(Br)c(Cl)c3Cl)c2)OC1(C)C 2265861611 BAFJUENDYRDCPS-UHFFFAOYSA-N 443.965 5.194 30 10 IKEE C=CCCC1([C@H](NC)c2c(F)ccc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2281037488 JYVNDDUXAAQAIJ-QGZVFWFLSA-N 445.348 5.191 30 10 IKEE CCN1C(=O)C(=C2Sc3ccc(OC)cc3N2CC)SC1=Nc1ccccc1OC 2295213182 QVQPWUFZOVOSRX-UHFFFAOYSA-N 441.578 5.088 30 10 IKEE CCN[C@@H](C#Cc1cccc(Br)c1)CCC[C@H](CC)NC(=O)OC(C)(C)C 2296227037 LIYONJBABDNIMP-VQTJNVASSA-N 437.422 5.252 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](CC[C@H](O)C#Cc2ccc(Br)cc2)C1 2296274522 UUPVNLGSWZQTLN-DFQSSKMNSA-N 436.390 5.025 30 10 IKEE CC(C)(C)OC(=O)NCC1([C@H](O)C#Cc2ccc(Br)cc2)CCCCCC1 2296282045 RTPWYRBJPHDZEM-LJQANCHMSA-N 436.390 5.027 30 10 IKEE CCCOc1ccc(C(O)=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2cccc(Cl)c2)cc1 2296923876 DZUPHVCNUFEGNO-JOCHJYFZSA-N 448.906 5.150 30 10 IKEE O=C1C(=Cc2cccc(Cl)c2)SC(=Nc2ccncc2Cl)N1c1ccccc1 2314542068 GUVYFYPSLBPKNH-UHFFFAOYSA-N 426.328 6.197 30 10 IKEE Cc1cc(OCC(=O)OC(C)(C)C)cc2c1C(=O)C(=Cc1ccc(-c3ccccc3)cc1)O2 2321736727 SYQMDDLKHHNVHP-UHFFFAOYSA-N 442.511 5.999 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCc4cccc(Cl)c4)c3C)C2=O)cc1OC 2321762382 NTFHDLNOKJWPET-UHFFFAOYSA-N 436.891 5.861 30 10 IKEE CCOc1cc(C=Nn2c(S)nnc2CC(C)(C)C)ccc1OCc1ccc(F)cc1 2321936792 BFYHGCILHCARGB-UHFFFAOYSA-N 442.560 5.154 30 10 IKEE Cc1ccc(NC(=O)COc2ccccc2C=CC(=O)c2ccc3c(c2)CCCC3)cc1 2322328606 GPQVYHKUVMCPNS-UHFFFAOYSA-N 425.528 5.787 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(N(C)C)cc1)C3=O)CN([C@@H]1CCCC[C@H]1C)CO2 2322391746 BDEVAFHLLCDFFE-UZUQRXQVSA-N 432.564 5.408 30 10 IKEE Cc1ccccc1C=C1Oc2c(cc3c(c2C)OCN(CCCc2ccccc2)C3)C1=O 2322427908 ZYBHZZFWZPYESC-UHFFFAOYSA-N 425.528 5.704 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(Cl)cc2)c1OCc1cccc(F)c1 2322528674 ZVELIBJMEZKAJM-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2cc(Br)cc(OC)c2OC)c1 2322860652 AKNGSIZUWVDPSM-UHFFFAOYSA-N 435.314 5.160 30 10 IKEE Cc1ccc(NC(=O)COc2cccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)c2)cc1C 2323259728 XJXQRPHJDNHXTH-UHFFFAOYSA-N 441.571 6.451 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3C)C2=O)c1 2323331959 FNWHFPBVXIMIRK-UHFFFAOYSA-N 445.427 5.056 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)Cc4cc(Cl)ccc4Cl)cc(C)c3C2=O)o1 2323410061 UGGLGYZQGKICCZ-UHFFFAOYSA-N 443.282 5.968 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OC(=O)C=Cc4cccs4)ccc3C2=O)cc1 2323524538 OOMYIBNXMJYTCB-UHFFFAOYSA-N 445.540 5.829 30 10 IKEE COc1ccc(C=Nn2c(S)nnc2-c2cccs2)cc1OCc1ccc(C)cc1 2323532113 JGQWABBWWZFSHY-UHFFFAOYSA-N 436.562 5.074 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3cccc4ccccc34)c(Cl)c2)cc1 2323628353 WFFKEAMZWBGSKP-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE CCCCCCCCCOc1ccc(C=NNC(=S)NCc2ccccc2)c(Cl)c1 2323840419 AJBBZYAMFPNNGP-UHFFFAOYSA-N 446.060 6.468 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C)o2)C3=O)c1 2323896025 CVXNNOOONKMGPL-UHFFFAOYSA-N 432.428 5.047 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1c(C)cccc1C 2323921168 IWIUAQOBCZKFQA-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 2324197049 IJRPFFFSVTXUNI-UHFFFAOYSA-N 447.462 5.946 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1Cl)NC1CCCCC1 2324241470 OGQWJVFBCAECDN-UHFFFAOYSA-N 433.882 5.342 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3)c(OC)c2)c(OCC)c1 2324498882 ZPQVTARTFYODEY-UHFFFAOYSA-N 432.516 5.968 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(F)cc2)c([N+](=O)[O-])c1)c1cc(Cl)ccc1Cl 2324662251 ITHDXTPJCHTRSF-UHFFFAOYSA-N 446.261 6.516 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCc3ccc(C(=O)OC(C)C)o3)ccc2C1=O 2325385197 QDFRTAWZXCNPTI-UHFFFAOYSA-N 448.471 5.439 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O)Nc1ccc(F)c(Cl)c1 2325592699 KKYLUWBNYHKWAN-UHFFFAOYSA-N 441.817 5.252 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc4cc(Cl)ccc4n3)c2)cc1 2325706188 QTCBDARPBCUXJR-UHFFFAOYSA-N 441.914 6.566 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2OC)cc1OC(=O)CCOc1ccccc1 2325742810 YFFFEZXVXIRYSX-UHFFFAOYSA-N 446.499 5.283 30 10 IKEE COc1ccccc1CC(=O)Oc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OC 2325752959 FFNJRXCWBBWKGR-UHFFFAOYSA-N 438.426 5.026 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2cccc(C=CC(=O)c3cc(Cl)ccc3Cl)c2)c1 2325774433 VMRLSRAQOAHNCC-UHFFFAOYSA-N 425.311 6.726 30 10 IKEE CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1ccccc1OC 2325903908 GBETYIOCPWGBFM-UHFFFAOYSA-N 438.597 5.466 30 10 IKEE C=CCSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1ccc(F)cc1F 2325952287 YRNBNPZVILHFMA-UHFFFAOYSA-N 449.324 5.070 30 10 IKEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccccc1OCC(C)C 2326513068 QOLHMOXAJQUISA-UHFFFAOYSA-N 449.407 6.103 30 10 IKEE CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1cc(OC)ccc1OC 2326908411 DNHJQIVISXDNNE-UHFFFAOYSA-N 440.613 5.048 30 10 IKEE Cc1ccccc1C=Nn1c(COc2ccccc2)nnc1SCc1ccccc1C 2329883441 MVCVSLCTFZVXIX-UHFFFAOYSA-N 428.561 5.648 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccco2)c([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 2330601927 WCPBPCRQPXISPX-UHFFFAOYSA-N 439.423 5.970 30 10 IKEE Fc1ccccc1C=Nn1c(SCc2cccc3ccccc23)nnc1-c1ccccc1 2330683233 GOFMJCVUCJBIIU-UHFFFAOYSA-N 438.531 6.412 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3)c(Cl)c2)cc1OC 2330718014 DONCGVNGSCBVMT-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)C3CCC3)c(Br)c2)cc1OC 2330718925 SCYFIZBVAXZWCC-UHFFFAOYSA-N 445.309 5.068 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccccc3Cl)cc2[N+](=O)[O-])cc1C 2330929579 LMGDQJDAMSLUKX-UHFFFAOYSA-N 449.890 5.909 30 10 IKEE COc1ccc(OC)c(C=Nn2c(SCc3cccc(C)c3)nnc2C2CCCC2)c1 2331046450 YYNGQHOKZYCPSN-UHFFFAOYSA-N 436.581 5.436 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H](C)c3ccccc3)c([N+](=O)[O-])c2)c(C)c1 2331225256 DEUDJZDCAFADQI-LJQANCHMSA-N 429.472 5.817 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)CCc1ccccc1C 2331236579 ILZRFZWYJYUDAQ-UHFFFAOYSA-N 428.528 6.055 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3)c(OCC)c2)cc1 2331307392 OJQXHYVFMHDFJR-UHFFFAOYSA-N 448.490 6.129 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)cc2)c1 2331313304 BNPOMPHLENXOGL-UHFFFAOYSA-N 425.311 6.726 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)COCc1ccccc1 2331350652 KAXCAXCGOIEJCL-UHFFFAOYSA-N 434.463 5.161 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3cccs3)c(OC)c2)cc1F 2331453635 OXHFKIFOQIBQCO-UHFFFAOYSA-N 442.464 5.028 30 10 IKEE O=C(Cc1ccccc1F)Oc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1Cl 2331557053 RWLWMLSQCSVZLQ-UHFFFAOYSA-N 430.809 5.802 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)c1ccccn1 2331630194 BGZBEVGWKYUJPU-UHFFFAOYSA-N 431.488 5.221 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2cccs2)cc1 2331635320 JYPUQGLINQPSQR-UHFFFAOYSA-N 433.312 6.179 30 10 IKEE C=CCn1c(SCc2nc(-c3ccccc3Cl)no2)nnc1-c1ccc(Cl)cc1 8936618 KRKFOSGKTXDBQY-UHFFFAOYSA-N 444.347 5.780 30 10 IKEE CCCOc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(C(C)(C)C)cc1)C2 21230760 ONJAKPVGGPUSAV-KNQAVFIVSA-N 431.576 5.777 30 10 IKEE CC(C)(C)c1cc(NC(=O)c2ccc(OC(F)(F)F)cc2)n(-c2ccc(C#N)cc2)n1 23335215 IIQSNHSEDWSHJK-UHFFFAOYSA-N 428.414 5.192 30 10 IKEE COc1ccc(/C=C\C(=O)C23CC4CC(CC(C4)C2)C3)cc1Cn1nc(C)c([N+](=O)[O-])c1C 33636457 QNPMMGIKKSPCBU-ALCCZGGFSA-N 449.551 5.264 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)cc2)cc1)c1ccc(Br)cc1 35343067 ONEKAJPDADGPFV-LZWSPWQCSA-N 425.253 5.704 30 10 IKEE COc1cc(/C=N\Nc2nc(-c3ccccc3)c(C)s2)ccc1OCc1ccccc1 35394767 IDPKXTSIWGQAMZ-QQXSKIMKSA-N 429.545 6.152 30 10 IKEE C=CCC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C(C)C 36307579 FQCXGBLXKWODMX-JOCHJYFZSA-N 437.559 5.556 30 10 IKEE COc1cccc(Oc2cc(-c3ccccc3)nc(SCc3cccc(C#N)c3)n2)c1 36349467 PUGAXOXDJKCJNV-UHFFFAOYSA-N 425.513 6.108 30 10 IKEE N#Cc1ccccc1COc1ccc2ccccc2c1/C=C1\NC(=O)N(c2ccccc2)C1=O 96473356 MIPXVWUCLJUECP-XYGWBWBKSA-N 445.478 5.388 30 10 IKEE CCCCCCCCCCCCCCCCNC[C@@H](C)Oc1ccc(C(C)(C)C)cc1 100023663 XLQIANXVXUGCJO-AREMUKBSSA-N 431.749 8.822 30 10 IKEE CCN1C(=O)C[C@H](C(=O)Nc2ccccc2Cl)S/C1=N\c1ccc(C)c(Cl)c1 100194247 DVNGBTVDDZPYRI-HLGQQVFSSA-N 436.364 5.282 30 10 IKEE CCCCCCCOc1ccc(NC(=S)NC(=O)c2ccc(OCCOC)cc2)cc1 100196984 BNHPJQPVOFHVGS-UHFFFAOYSA-N 444.597 5.188 30 10 IKEE CC(C)(C)c1ccc([C@@H]2/C(=C(/O)c3ccc(Cl)cc3)C(=O)C(=O)N2Cc2ccco2)cc1 102586955 QCSDCGJXIZDHRH-RKKARLDVSA-N 449.934 5.852 30 10 IKEE O=C1C(=O)N(Cc2ccccc2)[C@@H](c2ccc(Br)cc2)/C1=C(/O)c1ccccc1 103222491 MTYHCNYORSVLJB-AGGMBTAESA-N 448.316 5.071 30 10 IKEE C[C@H]1CCc2c(sc3nc(Cc4ccccc4)n(Cc4cccc(C#N)c4)c(=O)c23)C1 169906045 XALRMWBYSNKWTE-KRWDZBQOSA-N 425.557 5.094 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2sc(C)nc2C)=C(O)C(=O)N1c1cccc(C)c1C 169944437 UFMSOXBAJWWMLX-NRFANRHFSA-N 448.544 5.168 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(C)c(C)c2)[C@@H]1c1cccc(C)c1 169970459 WEOZHNFBFQEFSY-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(OC(C)C)c2)c1 169981338 AYBHYWRTJYEQAQ-DEOSSOPVSA-N 449.547 5.393 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2cccnc2)cc1 170003005 YJCRWKANNAAUEM-RUZDIDTESA-N 426.516 5.307 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 170063217 YRXWMBUHHSCDMC-FQEVSTJZSA-N 442.273 5.915 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@@H]2c2ccccc2F)c1 170072767 JBDXBORTSGFWAE-JOCHJYFZSA-N 441.462 5.102 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cn(C)c3ccccc23)ccc1F 170085762 JYBHPXROTCJRPD-QHCPKHFHSA-N 432.495 5.147 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2OC)c1 170122349 COLSWKOIKLPBPL-DEOSSOPVSA-N 443.499 5.267 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2Cc2ccncc2)c1 170145113 JXDGHVVDRPYALL-VWLOTQADSA-N 434.495 5.322 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2cccnc2)ccc1Cl 170190254 XVPASGVEILWVSN-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@H]1c1ccc(OCC)cc1 170213957 VDNSDUYRFKSVDX-HSZRJFAPSA-N 437.536 5.206 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(OCCC)cc1 170215436 RPPUMIIUCUSHHZ-VWLOTQADSA-N 443.543 6.007 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(O)c(Cl)c1 170219810 BPUUIMCLBVQCBB-JOCHJYFZSA-N 435.907 5.577 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccc2F)cc1C 170248613 VRCOACBPDFPFNW-XMMPIXPASA-N 445.490 5.624 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2cccc(Cl)c2)o1 170303461 NCSUKTXBONZNRK-IBGZPJMESA-N 428.271 5.678 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2ccc(C)o2)cc1C 170304657 TWKRJAWYIHQRSF-QHCPKHFHSA-N 447.487 5.010 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(N3CCCC3)cc2)[C@H]1c1ccccc1F)c1cccs1 170380721 LYZPMPSJVXUEGS-QFIPXVFZSA-N 448.519 5.270 30 10 IKEE CCCCCC(=O)/C=C\[C@H]1[C@@H]2CC(=O)O[C@H]2C[C@H]1OC(=O)c1ccc(-c2ccccc2)cc1 230124929 KVAPQSSLLZXBHI-NTWWELEVSA-N 446.543 5.536 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[C@H]1Nc1cc(Br)ccc1C#N 312185520 IAFYFFBKFJZKKM-YQVWRLOYSA-N 434.378 5.301 30 10 IKEE N#Cc1cc(F)c(Oc2cc(Cl)c(Br)cc2Cl)cc1Br 312478891 SZVNGPXPCXRHQD-UHFFFAOYSA-N 439.893 6.321 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(Cl)cc2)c1 526604973 ROUHNYKVENKLRQ-DEOSSOPVSA-N 444.918 6.058 30 10 IKEE N#Cc1ccccc1NC1=C(Sc2ccccc2)C(=O)N(c2ccccc2Cl)C1=O 526659405 QKCRMWVWHNESCS-UHFFFAOYSA-N 431.904 5.201 30 10 IKEE Cc1ccccc1NC1=C(Sc2ccc(Cl)cc2)C(=O)N(c2cccc(C#N)c2)C1=O 526666034 XUHYUEFXXHSZBD-UHFFFAOYSA-N 445.931 5.509 30 10 IKEE CC(C)COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(F)c2)cc1 526711119 XTPNERPCIOLVSF-DEOSSOPVSA-N 445.490 5.643 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1/N=C\c1ccc(OCC)c(Cl)c1 526803595 BVYFOICYNQPTRB-QFEZKATASA-N 446.979 5.986 30 10 IKEE Cc1ccc(CSc2nncn2/N=C\c2cc(Cl)c(OC(C)C)c(Cl)c2)c(C)c1 526810800 MYVSZFSFTPTPJZ-MRUKODCESA-N 449.407 6.163 30 10 IKEE CCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1ccc(Br)cc1 526821911 ANSCJDZTWQNGCS-QRVIBDJDSA-N 440.370 5.039 30 10 IKEE CCOc1ccc2ccccc2c1/C=N\n1c(CC)nnc1SCc1ccc(C#N)cc1 526822125 DZDPTOAPGCJCMB-YUMHPJSZSA-N 441.560 5.439 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1cccc(OCC(C)C)c1 526822649 MKKGSNAFUYOEIJ-YUMHPJSZSA-N 447.608 5.702 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2ccc(Cl)cc2Br)c1 698419959 RBOXJBRXEDNGMG-GOSISDBHSA-N 435.749 6.417 30 10 IKEE CCCN[C@H](CC#CC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 705505527 FWVITJOTMPBZRV-MDNUFGMLSA-N 430.633 5.293 30 10 IKEE CC1(C)OB(c2ccc(Cn3ccc4c(OCc5ccccc5)cccc43)cc2)OC1(C)C 720926198 IGMAHORMHHQXIG-UHFFFAOYSA-N 439.364 5.568 30 10 IKEE Ic1ccc(-c2ccc(C=Nc3ccc4c5c(cccc35)CC4)o2)cc1 1084332231 TZWQQGOBWUMGEG-UHFFFAOYSA-N 449.291 6.554 30 10 IKEE N#CCc1nc(C(F)(F)F)ccc1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1848370209 UITFDUQQNSWISS-UHFFFAOYSA-N 434.459 7.100 30 10 IKEE Cc1ccc2c(CC(=O)Nc3oc(-c4ccccc4)c(-c4ccccc4)c3C#N)noc2c1 1859650329 OFSXBLAGBJYBLX-UHFFFAOYSA-N 433.467 6.116 30 10 IKEE CCCOC(=O)c1ccc(CSc2nc(O)c(C#N)c(-c3ccccc3Cl)n2)cc1 1860825080 LYEYYLFQKVBLHT-UHFFFAOYSA-N 439.924 5.233 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CC)NC(=O)c1ccc2nc(-c3cccc(C)c3)[nH]c2c1 1861442160 SESWZSHXPLBDQM-JOCHJYFZSA-N 448.611 5.523 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@@H]2c2cccc(F)c2)c1 1862413759 KKFMRXBXXSGRKA-QFIPXVFZSA-N 437.417 5.191 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@@H]1c1cccc(F)c1)c1ccc(F)cc1F 1862413864 MMRNINIECRSDMR-JOCHJYFZSA-N 441.449 5.573 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCC2=CCCCC2)c1 1862501616 GSBKEUYFOHCJRP-DEOSSOPVSA-N 449.522 5.612 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc3cc[nH]c3c2)ccc1F 1862503934 ISHOTWPUQWDTBF-DEOSSOPVSA-N 440.474 5.394 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862515837 FYMJJFVDRCVQNZ-WAIKUNEKSA-N 432.520 5.334 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCC(C)C)cc1 1862565276 STHUDYUOKOCJAJ-HSZRJFAPSA-N 436.552 5.072 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1cccc(Cl)c1 1862591981 SDZJDICVRCBAAL-QFIPXVFZSA-N 441.955 5.984 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(C(C)C)cc1 1862614270 BHSFDGKRQLMBTO-DEOSSOPVSA-N 433.592 6.342 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862618980 LIXYFIMXLPFDHA-NRFANRHFSA-N 436.508 5.127 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2ccccc2)cc1F 1862636546 JJRHNNMTGLAUBQ-DEOSSOPVSA-N 445.490 5.045 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccccc2F)cc1 1862662135 IIDYLKAPIYOGCP-XMMPIXPASA-N 435.539 6.250 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 1862666415 DBRZBRBEEWVOCZ-XMMPIXPASA-N 433.592 6.342 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2ccccc2Cl)cc1 1862688784 ASQPOCMDOFXNAI-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc(Cl)c1 1862712729 YGXXWXCJAQVNKC-QFIPXVFZSA-N 435.907 5.108 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)cc1 1862736889 PQDNPDJGMJPRNY-XUEUYAKLSA-N 434.492 5.060 30 10 IKEE Cc1ccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1Cl 1862798810 QZXCQNDQQSHQQP-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE Cc1cc(C)cc(NC2=C(c3ccccc3Cl)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1863077094 BFZAGEYJKXKBIL-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2Sc2ccccc2)=C(c2ccc(F)cc2)C1=O 1863144864 WGBWHWZQMKHPBI-UHFFFAOYSA-N 430.504 5.355 30 10 IKEE N#Cc1ccccc1NC1=C(c2ccccc2Cl)C(=O)N(Cc2ccc(Cl)cc2)C1=O 1863452224 DBSXSAARKKVUAL-UHFFFAOYSA-N 448.309 5.257 30 10 IKEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CC)[C@H]1c1ccc(Cl)cc1 1864101649 QIBIXQHMIUPNHW-HXUWFJFHSA-N 445.007 5.036 30 10 IKEE CCc1ccc([C@@H]2CN(c3cc(Nc4cccc(C#N)c4)nc(C(C)(C)C)n3)CCO2)cc1 1868333294 DWKZQSMGSYMEOO-QHCPKHFHSA-N 441.579 5.530 30 10 IKEE CC[C@H]1CCCN1c1cc(Nc2ccccc2C#N)nc(-c2ccc(C(C)(C)C)cc2)n1 1868550349 PBXIXZGQRIMQRG-QFIPXVFZSA-N 425.580 6.435 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3ccc([N+](=O)[O-])cc32)nc(-c2ccccc2Cl)n1 1869231117 LSJHBRWXUFXOIY-UHFFFAOYSA-N 447.926 5.578 30 10 IKEE Cc1ccc(/C=C/C(=O)Nc2c(C#N)nnn2Cc2c(Cl)ccc(Cl)c2Cl)cc1 1870106366 JLWMACUTLKSCSN-RMKNXTFCSA-N 446.725 5.119 30 10 IKEE C=CCn1cc(OCCCCCC)c(=O)cc1CSc1ccc(Br)cc1 1870186171 DLQSSSOELBLQCT-UHFFFAOYSA-N 436.415 6.048 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCC2CCCCC2)cn1CCCCN(CC)CC 1870484928 KEDQFUPPPCSMPT-UHFFFAOYSA-N 443.676 5.103 30 10 IKEE C=CCn1cc(OCc2ccc(OC)c(F)c2)c(=O)cc1CNc1ccc(F)c(Cl)c1 1870806450 JVSDNAKNIRVZPK-UHFFFAOYSA-N 446.881 5.166 30 10 IKEE C=CCn1cc(OCC(=O)OCCCCCC)c(=O)cc1CNc1cccc(Cl)c1C 1870840273 WCXMYOJJKOMXJK-UHFFFAOYSA-N 446.975 5.111 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccccc1)O3)CN(CCc1ccc(Cl)cc1)CO2 1871344531 JVBXPKVQRBAUEJ-UCQKPKSFSA-N 431.919 5.659 30 10 IKEE Cc1ccc(CCN2COc3cc(C)c4c(c3C2)O/C(=C\c2ccc(Cl)cc2)C4=O)cc1 1871348214 YMPLVYDGLYYOAA-OYKKKHCWSA-N 445.946 5.968 30 10 IKEE Cc1ccc(CCC(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(N(C)C)cc2)C3=O)cc1 1871367399 JNRKSAFUPJZFNJ-UQQQWYQISA-N 441.527 5.524 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc2c(c1)O/C(=C\c1ccccc1OC(F)F)C2=O 1871385867 QICVDXMYGOECJX-HMAPJEAMSA-N 436.410 5.442 30 10 IKEE CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccccc1)C2=O 1871403398 XQTCEAIGVHGVCT-WSLHGYQHSA-N 443.499 5.416 30 10 IKEE Cc1c(O[C@@H](C)C(=O)Nc2ccccc2)ccc2c1O/C(=C\c1ccccc1Cl)C2=O 1871404473 LQEZJLLJFSBDTD-VOMLJKFNSA-N 433.891 5.671 30 10 IKEE Cc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O 1871407308 WBVQAIHAPOOLRN-YOBACFSGSA-N 433.891 5.671 30 10 IKEE CCCCCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 1871427118 ORXNEHPGEDWZSZ-JAIQZWGSSA-N 449.330 6.030 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(c4ccccc4)c4ccccc4)ccc3C2=O)cc1 1871431668 REMMTQIUSBYNLY-USHMODERSA-N 432.519 7.034 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\C=C\c2ccccc2)C3=O)cc1C 1871460189 ZOKJWYBAMYCVMH-BDUSHXLBSA-N 439.511 5.802 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1cccs1 1871836549 VVWQIPAQVYLKKH-HXUWFJFHSA-N 434.627 5.246 30 10 IKEE N#Cc1ccccc1NC(=O)c1ccc2nc(-c3ccccc3OCc3ccccc3)[nH]c2c1 1872734992 AGDOLDSNTSMFDO-UHFFFAOYSA-N 444.494 5.933 30 10 IKEE COc1ccc(OC)c(-c2csc([C@@H](C#N)C(=O)Cc3cccc4ccccc34)n2)c1 1872771625 YCTDJWGVCCJGAV-NRFANRHFSA-N 428.513 5.399 30 10 IKEE C=CCOc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2cc(C)cc(C)c2OC)cs1 1872781688 XRXWAGRYRKSFBW-LJQANCHMSA-N 448.544 5.256 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)COc3cc(Cl)ccc3Cl)n2)cc1C 1872782603 LCXCEGYPZYZJHR-MRXNPFEDSA-N 431.344 5.989 30 10 IKEE COc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 1872787860 TZHPMRQBHSILHE-MDGVGCGJSA-N 429.328 6.015 30 10 IKEE N#C[C@@H](C(=O)CN1CCc2ccccc2C1)c1nc(-c2ccccc2)c(-c2ccccc2)s1 1872799771 KJBGJNKPEFEKCS-DEOSSOPVSA-N 449.579 5.712 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccc(C)cc2)=C(c2c(C)cc(C)cc2C)C1=O 1873116201 CMVIEPDWVBXEBL-UHFFFAOYSA-N 446.635 6.150 30 10 IKEE CCCCOc1ccccc1/C=N/Nc1cnn(-c2ccccc2Cl)c(=O)c1Cl 1873529100 NEORQQHXWLKESY-ZMOGYAJESA-N 431.323 5.164 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(F)c(Cl)c1)n2C 1873619794 NSHQUFJIWJVWIX-UHFFFAOYSA-N 431.943 5.786 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(F)c(F)c2)cc2c(N(CCC)CCCC)ncnc21 1873659420 PYONNJPQSDDMSN-UHFFFAOYSA-N 427.499 5.164 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1cccnc1 1874204601 KVJOPPMZOLAROW-AUEPDCJTSA-N 434.352 5.109 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1ccc(OCC)cc1 1874249548 GBAUTLLWDINIAS-XIEYBQDHSA-N 436.581 5.157 30 10 IKEE Clc1ccc(CCc2nnc(SCc3ccccc3)n2/N=C/c2cccnc2)cc1 1874283057 NARMLHICGFALGG-WGOQTCKBSA-N 433.968 5.286 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCCOc3ccccc3)n2/N=C/c2ccc[nH]2)c1 1874318010 WSDJRBRNYNEEEM-WPWMEQJKSA-N 445.592 5.409 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3C)n2/N=C/c2ccc[nH]2)c(C)c1 1874325513 SVTIFSSALQGGAF-VULFUBBASA-N 431.565 5.285 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccccc1 1874361064 KORKCYIHCPBEFI-WPWMEQJKSA-N 430.552 5.685 30 10 IKEE COc1ccc(/C=N/n2c(COc3ccccc3)nnc2SCc2cccc(F)c2)cc1 1874383354 MHFZGZDONUGERU-CVKSISIWSA-N 448.523 5.179 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2F)n1/N=C/c1ccccc1O 1874395485 NQORAQUMKXYMKW-CIRUFVMISA-N 432.524 5.449 30 10 IKEE COc1cccc(/C=N/n2c(SCCc3ccccc3)nnc2[C@@H](C)c2ccccc2)c1 1874400623 VTIYVSNJQSJMKZ-RUTRRBQKSA-N 442.588 5.656 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(Cc2cccs2)n1/N=C/c1ccc[nH]1 1874414623 AZSHAINIGLSOPA-FOKLQQMPSA-N 431.949 5.226 30 10 IKEE CCOc1cccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccc(F)cc2)c1 1874416603 YQCOLMOQEOEBBH-WPWMEQJKSA-N 446.551 5.581 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2cccs2)cc1Cl 1874430299 BTVDDHRVVLGSEJ-FSJBWODESA-N 445.400 6.488 30 10 IKEE CC(C)(C)c1ccc(/C=N/n2c(SCc3ccccc3F)nnc2C(F)(F)F)cc1 1874461676 ZXTDDOIOAGHBRS-RPPGKUMJSA-N 436.478 5.908 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2cccc(F)c2)nnc1C(C)(C)C 1874482335 AQUPZFDSNAEYSA-MFKUBSTISA-N 426.561 5.678 30 10 IKEE CCOc1cc(/C=N/n2c(SCc3ccccc3Cl)nnc2C(C)(C)C)ccc1O 1874484133 GXNNOWVODNCSRT-ZMOGYAJESA-N 444.988 5.508 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CC(C)C)nnc1SCc1cc(C)ccc1C 1874490045 XICDDVILQCCXFT-WGOQTCKBSA-N 434.609 5.833 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2ccc(C)cc2)cc1 1874493728 BJWBGNPSGICJCM-MFKUBSTISA-N 433.581 5.029 30 10 IKEE Cc1ccc(COc2ccc(/C=N/n3c(C)nnc3SCc3ccc(C)cc3)cc2)cc1 1874529769 ZWVVOHMODRZLBR-JVWAILMASA-N 442.588 5.957 30 10 IKEE CCCCOc1ccc(/C=N/n2c(C)nnc2SCc2ccc(F)cc2)cc1OCC 1874530268 ZRRPSDLLQYKYPD-MFKUBSTISA-N 442.560 5.478 30 10 IKEE CSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1/N=C/c1cccc(F)c1 1874542295 SSQSAYSZXOFDGM-ZMOGYAJESA-N 432.952 5.303 30 10 IKEE COC(=O)c1ccc(COc2ccccc2/C=C/C(=O)c2ccc(Br)cc2)o1 1874574296 FVFJZYOLGGBTOK-XYOKQWHBSA-N 441.277 5.304 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Cl)ccc1OCc1cccc2ccccc12 1874577099 WHBYPUFXANBBND-FYWRMAATSA-N 428.915 6.977 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccccc2OCc2ccc(Cl)cc2)c(OCC)c1 1874589644 WUKPHTBUNQZDGU-LFIBNONCSA-N 436.935 6.613 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OCC(=O)N[C@@H](C)c1ccccc1 1874595892 ICSFZZLGLDHCBG-OSJHKOOESA-N 443.543 5.464 30 10 IKEE CCCN(CCC)C(=O)COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC 1874597468 OSBGDSVFJRWFID-RIYZIHGNSA-N 437.580 5.742 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccc2c(c1)OCO2 1874597524 RCTGQHSLEGZYCY-XBXARRHUSA-N 427.283 6.197 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OCc1cccc(F)c1 1874602838 BWXNPDGJNDMIPF-GXDHUFHOSA-N 426.487 6.853 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OCC(=O)Nc2ccc(C)cc2C)cc1 1874620128 KJTXKEQKPYVSDE-UKTHLTGXSA-N 429.516 5.534 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OCc1ccccc1F 1874629171 PIYLDELLKDQLAV-VAWYXSNFSA-N 448.534 6.552 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccccc3[N+](=O)[O-])c2)cc1 1874694852 XVEZBVSBKMSYFA-GXDHUFHOSA-N 431.444 5.281 30 10 IKEE Cc1nc2ccc(C(=O)Oc3cccc(/C=C/C(=O)c4ccccc4Cl)c3)cc2nc1C 1874696973 PNBYUBDJAHPKIM-JLHYYAGUSA-N 442.902 6.015 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cccc(OC(=O)c2cccc(Br)c2)c1 1874698668 IQBHVTHUXTXJHD-OUKQBFOZSA-N 437.289 5.573 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2ccccc2)cc1OC(=O)c1ccccc1 1874700242 IJZAKGGPLQQDPI-OUKQBFOZSA-N 437.289 5.573 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccccc2C)c1 1874711682 FZQMSPIJJIGZMY-ZHACJKMWSA-N 441.310 6.426 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(OCC(C)C)cc2)CSc2nnc(C)n21 1874829357 RKXLWNJLDNCAQT-JOCHJYFZSA-N 444.645 5.684 30 10 IKEE CCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccc3ccccc3c2)cc1OC 1875095557 VYJZMORLIJIMCC-DHZHZOJOSA-N 439.305 5.822 30 10 IKEE COc1ccc(C(=O)Oc2c(OC)cc(/C=C/C(=O)c3ccc(C)cc3C)cc2OC)cc1 1875131693 KFXKFBCWSAQNTP-NTUHNPAUSA-N 446.499 5.445 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)Cc1cccs1 1875133712 IJDLOVZESYMJSW-ZRDIBKRKSA-N 446.568 6.146 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC(=O)COCc1ccccc1 1875144686 ZMMVALFCDUMLSI-ZRDIBKRKSA-N 446.499 5.031 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)c3ccccc3)c([N+](=O)[O-])c2)cc1 1875157121 UMUBJURYHYJROY-RNYZQXAPSA-N 443.499 6.323 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)c1cccnc1 1875160034 WZQNKKLQXREZHU-BJMVGYQFSA-N 425.843 5.388 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3Cl)cc2)c1C 1875168529 HSNRKHGDHOTEGR-SDNWHVSQSA-N 432.947 6.618 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)C(C)(C)C)c(OC)c2)cc1Cl 1875187872 XPDYOLKLWNODLG-SOFGYWHQSA-N 437.319 5.858 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCC)c2c(C)ccc(Br)c2F)C1 1892684596 OSURRKACGOVSQC-QGZVFWFLSA-N 427.358 5.161 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCCC)c2ccc(Br)c(Cl)c2)C1 1892684673 PNWZSBQQNVHGLN-QGZVFWFLSA-N 443.813 5.757 30 10 IKEE CN(CCC[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1)C(=O)OC(C)(C)C 2002713531 YROZBYGCCKACNT-HSZRJFAPSA-N 435.540 5.497 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@H]1C[C@H]2CC[C@H]1CN(C(=O)OC(C)(C)C)C2 2005309140 DLLXNLKHUQZJGN-NAVOZUGXSA-N 428.617 5.021 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@H]2C[C@@H]21 2008449731 USPLFSVDZPIBFG-KDLAUNOPSA-N 427.545 5.028 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)[C@H]1C(C)(C)C 2020136515 MHBYORQVSGVVIT-KOSHJBKYSA-N 429.561 5.356 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@@H](C#N)[C@@]1(C)CCCN1C(=O)OC(C)(C)C 2020799609 YGQGYHUBINSKPD-FDDCHVKYSA-N 433.524 5.249 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2C[C@](C#N)(N(C(=O)OC(C)(C)C)C3CCCCC3)CC[C@H]21 2027455721 CXDXNRQMWRHHJK-RQBNJVACSA-N 447.620 5.628 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@@](C)(C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)cc1 2027947611 JVUKKSDNJLNASW-RUZDIDTESA-N 443.588 6.342 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CC[C@@H](CCNC(=O)OC(C)(C)C)C2)c1 2037231082 JAENMOYCAZLGJV-DFBJGRDBSA-N 443.588 5.714 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)C1CCC2(CC1)CC(NC(=O)OC(C)(C)C)C2 2040321752 JHYMOVRQJWCJKK-QHBYUATHSA-N 442.644 5.601 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)C[C@@H](C)C2)c1 2041559195 HUHSDDVLVZLCSN-UQBPGWFLSA-N 443.588 5.666 30 10 IKEE CCc1ccc([C@@H](CC)n2nc(C(C)(C)C)c(/C=N/O)c2I)cc1 2079112271 QYKYFSLSBJYHDX-SVZNOHIVSA-N 439.341 5.155 30 10 IKEE Cc1cc(O)c([C@@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C2(C)CC2)cc1C 2080002536 YXXKXHLTSTVZBF-GOSISDBHSA-N 432.362 5.217 30 10 IKEE Fc1cc(-c2c(C3CCCC3)nn(C(F)(F)F)c2Br)ccc1C(F)(F)F 2080784753 ALASGYLNDHQQRT-UHFFFAOYSA-N 445.176 6.604 30 10 IKEE FC(F)(F)c1cccc(-c2c(C(F)(F)F)nn(C(F)(F)F)c2Br)c1 2080877662 CFQUGLFLDDTAIE-UHFFFAOYSA-N 427.064 5.827 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Br)c1C)NCC 2087424316 MZUBRRVEYWBABW-RTBURBONSA-N 425.411 5.138 30 10 IKEE C#CC(C)(C)C[C@@H](NCCC)c1ccc(I)c(Br)c1 2111303398 BIJGGYVGIIKZBI-OAHLLOKOSA-N 434.159 5.144 30 10 IKEE C#CC(C)(C)C[C@H](NCCC)c1cc(I)ccc1Br 2111304157 KSWQSLFWBXWNQC-HNNXBMFYSA-N 434.159 5.144 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1c1ccc(Nc2cc(Br)ccc2C#N)cc1 2162386699 FYCSQBIEKKJZBE-HKUYNNGSSA-N 428.330 5.445 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1ccc(-c2ccc(Br)cc2)s1 2164106611 DEBRADWPFQOXJF-QHCPKHFHSA-N 442.422 6.601 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)C1(C#N)C[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1 2174481766 YNYVZAZQFPSYME-BRSBDYLESA-N 433.346 5.040 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1c1cc(Br)ccc1C#N 2174812315 JUHFILNHTWRRDM-ZWKOTPCHSA-N 434.378 5.079 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 2220395466 YONDQENJDQNBNN-UAVUOLJFSA-N 447.551 5.495 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1cccc2c1OCO2 2233871086 JQCAVTHKLUPGMT-MRXNPFEDSA-N 431.286 5.184 30 10 IKEE C[C@H](N(Cc1ccccc1)C(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2247908438 UOGPVMVRASGRJF-KRWDZBQOSA-N 427.419 5.124 30 10 IKEE O=C(C#Cc1cccc(Br)c1)c1csc(Br)c1Br 2264118625 CQNFPNCZACJMDV-UHFFFAOYSA-N 448.961 5.270 30 10 IKEE CC(C)(C)OC(=O)NC[C@H](CC1CCCC1)C(=O)C#Cc1ccc(Br)cc1 2296280289 YTHLTKPEKPXEHO-SFHVURJKSA-N 434.374 5.091 30 10 IKEE CCC(=O)C=Cc1cc(Br)c(OCc2c(Cl)cccc2Cl)c(OC)c1 2296515047 AKAGVQBWGBEHRX-UHFFFAOYSA-N 444.152 6.336 30 10 IKEE Cc1cc(N2C(=O)C(=O)C(=C(O)c3cc4ccccc4o3)[C@@H]2c2cccc(Cl)c2)no1 2296598775 JEOOHVQHZYKLPK-FQEVSTJZSA-N 434.835 5.009 30 10 IKEE COc1ccc(C=C2SC(=Nc3ccccc3)NC2=O)cc1OCc1ccccc1F 2297533960 MIYFSRPUHNPORV-UHFFFAOYSA-N 434.492 5.305 30 10 IKEE Cc1ccc2oc(-c3cccc(N=Cc4cc5c(cc4Br)OCO5)c3)nc2c1 2297708194 MSLYXSZABPHCDR-UHFFFAOYSA-N 435.277 6.045 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(Cl)cc2Cl)SC1=Nc1ccc(C(=O)O)c(O)c1 2314926380 HYWUIKBRSGVGEG-UHFFFAOYSA-N 449.315 5.187 30 10 IKEE N#C[C@@H]1CCCCC[C@@H]1Sc1cc(I)ccc1Br 2316465349 KVMJJGWDCVXIQR-GWCFXTLKSA-N 436.156 5.618 30 10 IKEE COc1cccc(-c2csc(NN=Cc3ccc(OCc4ccccc4)c(OC)c3)n2)c1 2318418193 SOBOBUJXBMTWQF-UHFFFAOYSA-N 445.544 5.852 30 10 IKEE COc1cccc(C(=O)C=CC(=O)NCC[C@@H](C)c2cccc(-c3ccc(O)cc3)c2)c1 2320927750 RERDCZHHLNNIPH-LJQANCHMSA-N 429.516 5.117 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)c1OCc1ccc(C)cc1 2322307617 TXXGUVWWMQGDQQ-UHFFFAOYSA-N 434.535 7.146 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1cccc(F)c1)c1cccc(Br)c1 2322464784 JPIQYWKLLSNEEB-UHFFFAOYSA-N 445.715 6.717 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccccc1OC(F)F)C2=O)c1ccccc1Cl 2322724693 BFQRNESLJPNOFQ-UHFFFAOYSA-N 442.801 5.777 30 10 IKEE Cc1c(OC(=O)C2CCCCC2)ccc2c1OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2322747963 QSPROHZPQCPDAL-UHFFFAOYSA-N 431.315 6.404 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC)c2OCCc2ccccc2)cc1C(C)C 2322801354 XGWRTMCDBMNEIA-UHFFFAOYSA-N 444.571 6.653 30 10 IKEE Cc1cc(OC(=O)Cc2ccccc2)cc2c1C(=O)C(=Cc1ccc(Br)cc1)O2 2322884527 BHLUXMRHIHGAJJ-UHFFFAOYSA-N 449.300 5.522 30 10 IKEE CCCCCCCCCOc1ccc(C=NNc2ccc(OC)cc2)cc1Br 2323069257 IROWBMZKBMPZQB-UHFFFAOYSA-N 447.417 7.033 30 10 IKEE CC(C)c1ccc(C=C2Oc3cc(OC(=O)CCCOc4ccccc4)ccc3C2=O)cc1 2323177725 JLNAZEJLPMQNMR-UHFFFAOYSA-N 442.511 6.191 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2C1=O 2323231816 QZRLFCYUODXRGH-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE CCCOC(=O)COc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1OC 2323354692 WVOOXATXDAUHBT-UHFFFAOYSA-N 430.500 5.590 30 10 IKEE COc1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C)cc2)C3=O)cc1 2323423172 NNHPHVGEBVUZJK-UHFFFAOYSA-N 426.468 5.547 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cc(C)ccc3C)c(Cl)c2)cc1 2323464918 DGPWHVDKJNIXJK-UHFFFAOYSA-N 447.962 6.433 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1C 2323561484 ZEPBWTDCTVIJDY-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O)c1ccc(-n2cccc2)cc1 2323675397 JUSRWYZUMIYSHV-UHFFFAOYSA-N 441.870 5.966 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)c(OC)c1 2323767489 DDHTVIBUFQJHTG-UHFFFAOYSA-N 436.847 5.193 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OCc1ccccc1Cl 2324151764 FSMASVUIVHJKGG-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE N#C[C@@H](C(=O)C(=Cc1ccccc1)c1ccccc1)c1nc(-c2cccc(Cl)c2)cs1 2324475069 MQBAEHGGPRKQCM-QHCPKHFHSA-N 440.955 6.881 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc(C=CC(=O)c3c(C)cc(C)cc3C)cc2)c1 2324545559 ACWIIFUAZYFPBW-UHFFFAOYSA-N 427.544 6.142 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OCC(=O)NCc2ccccc2)cc1 2324570223 FFKZXMWEKCSGNB-UHFFFAOYSA-N 441.571 5.884 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3F)c(Cl)c2)cc1Cl 2324610134 TZGCHTQHFXBQKO-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1)NC1CCCCC1 2324651815 XKCDQKKEJFIEKR-UHFFFAOYSA-N 432.347 5.717 30 10 IKEE CCCCCOC(=O)COc1cc(C)c2c(c1)OC(=Cc1c(Cl)cccc1Cl)C2=O 2325045158 ISYGOXYQMSJXNF-UHFFFAOYSA-N 449.330 6.030 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccc(N(CC)CC)cc1 2325513814 BTKLOUXONWBAAW-UHFFFAOYSA-N 435.641 5.950 30 10 IKEE CCCC(=O)Oc1cc(C=CC(=O)c2cccc(Cl)c2)c(Br)cc1OC 2325728135 FIFHBWXBTJPFBV-UHFFFAOYSA-N 437.717 5.713 30 10 IKEE COc1ccccc1OCC(=O)Oc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC 2325740008 UPJFJURLFJQNGA-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2cccc(OC(=O)Cc3cccc4ccccc34)c2)c1C 2325756714 NPHQIUXWNPTBQV-UHFFFAOYSA-N 448.562 7.118 30 10 IKEE CCCSc1nnc(CCc2ccc(OCC)c(OC)c2)n1N=Cc1sccc1C 2325893775 FTVKBHGKAZECNK-UHFFFAOYSA-N 444.626 5.225 30 10 IKEE CCCSc1nnc(CCc2ccc(OC)c(OC)c2)n1N=Cc1ccccc1Cl 2326210394 RPIDIQFYIDEFAX-UHFFFAOYSA-N 444.988 5.118 30 10 IKEE COc1ccc(C=Nn2c(C)nnc2SCc2cc(C)cc(C)c2)cc1Br 2326398579 USFFGGIFZJVRIU-UHFFFAOYSA-N 445.386 5.149 30 10 IKEE C=CCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(O)c(OCC)c1 2327768125 SIAVFZSUDIXJCX-UHFFFAOYSA-N 444.560 5.287 30 10 IKEE CCCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc(C(C)C)cc1 2328078792 PORHEDDWDWXSPG-UHFFFAOYSA-N 427.017 6.224 30 10 IKEE CC(C)C[C@@H](CS)COCc1ccc(I)c(Br)c1 2328526911 AQQDGUXPLKPMPB-GFCCVEGCSA-N 443.188 5.162 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2ccc(C)cc2)cc1 2328567522 ARRGSFDPCHYJKY-UHFFFAOYSA-N 442.588 5.751 30 10 IKEE Fc1ccccc1C=Nn1c(CCc2cccs2)nnc1SCc1ccccc1F 2329665540 XFYBYQXNBBLTHL-UHFFFAOYSA-N 440.544 5.578 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2ccccc2F)nnc1[C@H](C)c1ccccc1 2330108822 YMPLSJCYSPODCX-LJQANCHMSA-N 430.552 6.052 30 10 IKEE Clc1ccccc1C=Nn1c(CCc2ccccc2)nnc1SCCc1ccccc1 2330199895 QYTFRGUJMOIALR-UHFFFAOYSA-N 447.007 5.934 30 10 IKEE CCc1ccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2-c2cccs2)cc1 2330583288 DQVVNIZVHKZQTJ-UHFFFAOYSA-N 432.618 6.360 30 10 IKEE COc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC(=O)C1CCC1 2330596931 LVZORNIOMZWPED-UHFFFAOYSA-N 442.511 5.972 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)c(F)c2F)cc1)c1ccc2ccccc2c1 2330653835 PIRRFAMLAJINBE-UHFFFAOYSA-N 432.397 6.372 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccc(C)c(C)c3)c(OC)c2)cc1 2330770301 ORKZGGJPNBQYKE-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE C=CCN(C(=O)C=Cc1ccc(Cl)cc1Cl)C1CCN(Cc2ccccc2)CC1 2331017813 DWROKAFSUNCKGI-UHFFFAOYSA-N 429.391 5.686 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CCCC2)cc1 2331092854 WHSXQPAWPFFAQG-UHFFFAOYSA-N 441.000 6.162 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccco2)cc1 2331187569 BPMIVQPXPXXVCV-UHFFFAOYSA-N 447.520 5.744 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(F)cc1F 2331344098 PUEAJSONTGJINF-UHFFFAOYSA-N 436.531 6.227 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)cc3F)cc2)c1 2331377545 JHDSRZQTOMSUFR-UHFFFAOYSA-N 438.426 5.026 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccccc1[N+](=O)[O-] 2331403858 LAWVSOZYXYXHGI-UHFFFAOYSA-N 429.933 5.312 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc(Cl)c2)c([N+](=O)[O-])c1)c1ccc(F)cc1 2331530204 ITXOFRXAOQJFQT-UHFFFAOYSA-N 425.799 5.503 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)c1ccc(CC)cc1 2331539727 PQQHSSVEBQRBSF-UHFFFAOYSA-N 444.502 6.241 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)CCc2ccccc2C)cc1 2331660089 DAYAREPVBXUBQV-UHFFFAOYSA-N 428.528 6.055 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2ccc(C(C)C)cc2)c(C)c1 2331710099 PSUKIRKHZGZRPH-UHFFFAOYSA-N 449.624 5.755 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccccn2)c([N+](=O)[O-])c1 2331794839 UGVZEKSJUGXXDZ-UHFFFAOYSA-N 444.487 5.711 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccnc3)c(Cl)c2)cc1Cl 2331818917 FJSCENYKFKXAFY-UHFFFAOYSA-N 428.271 5.512 30 10 IKEE CC[C@H](N[C@@H]1CN(Cc2ccccc2)C(C)(C)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363835548 DXTCHXAGBWAASP-DQEYMECFSA-N 448.460 5.080 30 10 IKEE C=CCn1c(SCc2ccc(C(C)(C)C)cc2)nc2scc(-c3ccccc3)c2c1=O 9041645 JINXVVLVMSQQKV-UHFFFAOYSA-N 446.641 6.901 30 10 IKEE Cc1ccc(/C=N/n2c(-c3ccc([N+](=O)[O-])cc3)cs/c2=N\C2CCCCC2)s1 15911317 POXLGGBJROQUOE-ISURTVLTSA-N 426.567 5.610 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(C(C)C)cc1)N2 20697955 CQBVXCZRZFFYER-OASJLCFRSA-N 448.632 5.999 30 10 IKEE CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)ccc1O 21219833 OVDYNYMQVCVDSU-CLYVBNDRSA-N 444.506 5.910 30 10 IKEE Cc1ccc(-c2ccc(/C=C/C(=O)c3cccc(NC(=O)c4ccco4)c3)o2)c([N+](=O)[O-])c1 28356093 ZUXMKFNYNGIPFF-DHZHZOJOSA-N 442.427 5.905 30 10 IKEE Cc1ccc(/C=C\C(=O)c2c(-c3ccccc3)c3cc(Br)ccc3[nH]c2=O)o1 33246271 XLGJFDCEFSNHSL-BENRWUELSA-N 434.289 5.755 30 10 IKEE C=C(Br)Cn1c(CCCCCNC(=O)c2cccc(C)c2)nc2ccccc21 40213330 LVWSAOQFYHEOKC-UHFFFAOYSA-N 440.385 5.396 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1 41285169 UKZUUWDSGDQBDS-IWIPYMOSSA-N 428.484 5.962 30 10 IKEE COc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(C3CCCCC3)C4)C2=O)cc1OC 41587052 YQHQWYPKEBOFTN-FMCGGJTJSA-N 435.520 5.113 30 10 IKEE Cc1cc(C)c(CSc2nnc(N/N=C/c3cccc(Br)c3)[nH]2)c(C)c1 58993977 ZSEXBTLCFOQEBI-UFFVCSGVSA-N 430.375 5.231 30 10 IKEE CCOc1cc(N(CC)CC)ccc1/C=C1/S/C(=N/c2ccc(OC)cc2)N(C)C1=O 59398483 CHLBOIBYKICALE-UQRBVYKBSA-N 439.581 5.174 30 10 IKEE Cc1cc(C)nc(N/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)n1 59678430 UCZZBAPEXGPJAC-AWQFTUOYSA-N 437.750 5.700 30 10 IKEE Cc1cc(Sc2nnc(-c3cccs3)n2C2CC2)n2c(nc3ccccc32)c1C#N 71872245 PQDAQXSZJLHWFF-UHFFFAOYSA-N 428.546 5.474 30 10 IKEE CCCCCCCOc1ccc(NCC(=O)Nc2ccccc2OCc2ccccc2)cc1 100077538 LAKZKDAXGFQQCZ-UHFFFAOYSA-N 446.591 6.665 30 10 IKEE Cc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccccc3)N(Cc3ccccc3)C2=O)c(C)c1 100113899 RKGPZXKLJQNHEY-YQMJRWHPSA-N 443.572 5.464 30 10 IKEE C=C(C)COc1cccc(NC(=S)NC(=O)c2ccc(OCCCCCCC)cc2)c1 100234185 WMIJXJRCGDDNCI-UHFFFAOYSA-N 440.609 6.118 30 10 IKEE O=C(/C=C\Nc1cccc(-c2ccccc2N/C=C\C(=O)C(F)(F)F)c1)C(F)(F)F 101362307 SJRVXUNODVGNTM-WGEIWTTOSA-N 428.332 5.468 30 10 IKEE C=CC(=O)NCCCCCc1nc2ccccc2n1CCCCCCCCCCCC 102173362 RINZGOPCWKNKII-UHFFFAOYSA-N 425.661 6.972 30 10 IKEE CCCN1C(=S)N[C@H](c2cccc(OCc3cccc(Cl)c3)c2)C(C(C)=O)=C1C 169930130 JGTOJFLRQSQIEW-JOCHJYFZSA-N 428.985 5.423 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(OC)c2)cc1 169931378 AGVKOLXDJWOXQJ-HSZRJFAPSA-N 431.463 5.180 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2cccc(C)c2)cc1 169970072 GECHELWPZHBWLG-QHCPKHFHSA-N 431.919 5.994 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2cccs2)c1 169981973 QIWOKSGETPYFHG-HSZRJFAPSA-N 433.529 5.249 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1cccs1 169984053 VGVHHFYKNJJYOQ-NRFANRHFSA-N 425.456 5.128 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2cccs2)c1 169985835 DDHDOQXIJYRGNE-IBGZPJMESA-N 425.893 5.193 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@H]2c2cccs2)c1 169989852 AZVYLZCMPUWGKK-FQEVSTJZSA-N 429.501 5.024 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(OCC)cc2)=C(N(C)Cc2ccccc2)C1=O 169993779 PEHMJYBINSERAW-UHFFFAOYSA-N 448.607 5.658 30 10 IKEE CN(C1=C(c2ccc(Cl)cc2Cl)C(=O)N(c2ccc(C#N)cc2)C1=O)c1ccccc1 170066240 ALXSWHYXXRAFME-UHFFFAOYSA-N 448.309 5.286 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2C)cc1 170089234 BIOQPKXBKZTERX-QHCPKHFHSA-N 431.463 5.316 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@@H]1c1ccc(OC)cc1 170116165 GBSMBQUBJKFQFL-QHCPKHFHSA-N 437.536 5.206 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2Cc2ccco2)c1 170118953 BQHCVKVJSHNMIC-XMMPIXPASA-N 439.467 5.220 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccc(C)c2)c1 170140837 BZAKNLRRADGVMK-XMMPIXPASA-N 427.500 5.485 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2cccc(C)c2)c1 170141385 HPLSGYBJXCCWAM-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccc(C)c2)c(OC)c1 170142769 VPXDTGQYFVNMOD-XMMPIXPASA-N 443.499 5.104 30 10 IKEE Cc1ccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1Cl 170150004 QNCBLCYCRQRDLY-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2cccs2)cc1C 170156299 WDGRHBCSNXWQSS-QHCPKHFHSA-N 447.556 5.855 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)cc(Cl)c2OC)[C@H]1c1cccnc1 170195929 JBGLNMFHRIFVHK-GOSISDBHSA-N 449.334 5.166 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@@H]1c1cccc2ccccc12 170221072 LPYUGECZTGWWRV-QFIPXVFZSA-N 435.907 5.490 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1OC 170226477 DPLBFMSYJWJWSE-JOCHJYFZSA-N 449.890 5.140 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2)c1 170233844 FPWXXJPDGITQEW-NRFANRHFSA-N 425.912 5.260 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(C(C)C)cc2)cc1 170246239 PPAQSSNBBNJVON-RUZDIDTESA-N 447.575 6.120 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccc(O)c2)cc1 170259567 KOAHDOYZIZOREK-DEOSSOPVSA-N 443.499 5.272 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1ccc(CC)cc1 170267774 DMIFTNUONXCUPY-JOCHJYFZSA-N 437.923 6.027 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@@H]2c2ccco2)s1 170287441 BIYZJIYOVVCVHG-HXUWFJFHSA-N 430.485 5.289 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2sccc2C)cc1 170315118 VKDKYKKCXCFEJN-JOCHJYFZSA-N 447.556 5.935 30 10 IKEE Cc1ccc(-c2nc3cc(N=Cc4ccc(-c5ccc(Cl)c(Cl)c5)o4)ccc3o2)cc1 252613711 JDBFIODEXNKCJN-UHFFFAOYSA-N 447.321 8.121 30 10 IKEE CCCOc1ccc2ccccc2c1/C=C1/SC(=Nc2ccc(C)cc2)N(CC)C1=O 252620133 LXYQEMYXQSEUKH-DNKROPNVSA-N 430.573 6.561 30 10 IKEE O=C1/C(=C\c2ccc(Cl)c(Cl)c2)SC(=Nc2ccccc2)N1Cc1ccccc1 254806553 ZRWUUPHGWIYMQT-OMYHDSEFSA-N 439.367 6.798 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)c(Cl)c1F 407262095 RULVRPRSPBESJY-YOEHRIQHSA-N 449.792 5.752 30 10 IKEE CC(C)Oc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)[C@@H]2CCCC[C@H]2C)cc1 586148964 BNZMLIYGGFMXLO-NTKDMRAZSA-N 426.582 5.115 30 10 IKEE N#Cc1ccc(CN(c2cccc3cccnc23)S(=O)(=O)c2ccccc2Cl)cc1 586226515 WXHNQZOYWHZCIP-UHFFFAOYSA-N 433.920 5.155 30 10 IKEE CCN(C(=O)Nc1ccc(C(=O)Nc2scc(C(C)(C)C)c2C#N)cc1)c1ccccc1 586688089 UYRWOIXRWCNMTN-UHFFFAOYSA-N 446.576 6.228 30 10 IKEE COc1nsc([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)c1Br 690150842 JLIRPHPMJNNOLI-ZDUSSCGKSA-N 444.395 5.439 30 10 IKEE CCCCCCC[C@](C)(C(N)=O)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 698451332 JWIQXZRLDZADPI-OAQYLSRUSA-N 441.410 5.795 30 10 IKEE CCC[C@@H]1CC[C@H](C#N)[C@H]([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)C1 700361374 ZEGISDNGHKYMSK-MEROFXMNSA-N 446.547 5.334 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1scnc1Cl 713493179 ZORCVTCIQHVSCL-GFCCVEGCSA-N 428.739 5.565 30 10 IKEE C=C[C@@H]1c2ccccc2N(S(=O)(=O)c2ccc(C)cc2)[C@H]1C(=O)/C=C\c1ccccc1 725430485 ITBWHUMMDVMSIT-LOCFWAOFSA-N 429.541 5.125 30 10 IKEE Fc1ccc(CSc2n[nH]c(NN=Cc3c4ccccc4cc4ccccc34)n2)cc1 1084156231 SBAAKWPCLVWFFS-UHFFFAOYSA-N 427.508 5.989 30 10 IKEE CCON=Cc1ccc(CN2CCC(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)cc1 1088687209 DHFLGXRHQUGSAR-UHFFFAOYSA-N 434.458 5.051 30 10 IKEE O=C(OCc1ccccc1)N1C[C@H](CS)[C@H](c2cc(C(F)(F)F)ccc2Cl)C1 1614629249 QOVOQBTXLRARAV-RHSMWYFYSA-N 429.891 5.641 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2)SC(=NN=Cc2cccs2)N1Cc1ccco1 1772757939 MUGUXGVPZXRJBH-VLNHPUBZSA-N 427.938 5.501 30 10 IKEE Cc1ccccc1N=C1S[C@@H](CC(=O)c2ccc(Cl)cc2)C(=O)N1c1ccccc1C 1772760176 WVQPIUUPPLHDAO-QHCPKHFHSA-N 448.975 6.366 30 10 IKEE CCCCCCCCc1ccc(CC[C@]2(CO)CN[C@@H](c3ccc(OC)cc3)O2)cc1 1848434886 YMEALZCJALPJPV-KAYWLYCHSA-N 425.613 5.581 30 10 IKEE CCCCCCCCCCn1cc(OCCCCOc2ccccc2)c(=O)cc1C(=O)O 1857890761 CGLWFXMWEOMPHR-UHFFFAOYSA-N 443.584 5.925 30 10 IKEE C=CCNC(=O)Oc1cccc2c(NC(=O)/C=C/c3ccccc3OCCC)cccc12 1858943132 QPBANYDYNKKNFI-FOCLMDBBSA-N 430.504 5.555 30 10 IKEE COc1ccc(-c2cc(C(=O)Nc3ccccc3C#N)nn2-c2cccc(Cl)c2)cc1 1859400649 AJPXUEADTJYDFC-UHFFFAOYSA-N 428.879 5.325 30 10 IKEE N#Cc1ccccc1NC(=O)c1cccc(NC(=O)CC(c2ccccc2)c2ccccc2)n1 1860552895 ADSFEYYOVUHJMI-UHFFFAOYSA-N 446.510 5.366 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CC(C)C)NC(=O)c1c(Cl)ccc(Cl)c1Cl 1861149733 GMAACKIQSUSYOO-QGZVFWFLSA-N 449.850 6.268 30 10 IKEE CCCCCCCCNC(=O)[C@H]1CCCN1C(=O)COc1ccc(C)cc1C(C)(C)C 1861628480 ASLNIMWLJNFRIS-JOCHJYFZSA-N 430.633 5.139 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccc(Cl)cc2)c1 1862473430 BHXVOVXEQBCZQD-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2C2CC2)cc1 1862511595 LZIDTYVPIZGYNO-QHCPKHFHSA-N 437.511 5.444 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2c(Cl)cccc2Cl)cc1 1862538465 HOOWYJSPVYFCNQ-RNODOKPDSA-N 432.347 5.933 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2Cc2cccnc2)cc1 1862543740 NRMIAGSIGIONRK-RUZDIDTESA-N 438.527 5.047 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(C(C)C)cc1 1862545938 MDTXMVIJEJYPJY-AVRWGWEMSA-N 431.576 6.066 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862562814 OJFXIFKRBCPRAY-IBGZPJMESA-N 433.335 5.344 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(OC)cc1 1862581572 KWGCDZNOUYDXKB-BLVKFPJESA-N 434.319 5.379 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1cccc(Cl)c1 1862591870 QAEAPSWFIKENGC-DENIHFKCSA-N 441.955 5.983 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccccc2F)cc1 1862662073 HAIKQFLSNLKCPZ-BSDZUQITSA-N 435.539 6.106 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@H]1c1cccc(Cl)c1)c1ccc(F)cc1 1862676024 YQXNDRLDMJRTIU-FQEVSTJZSA-N 441.911 5.362 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)c1 1862700499 HXMRAIBVHLFPCZ-WAIKUNEKSA-N 447.918 5.688 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1[C@@H]1CCCC[C@@H]1C 1862713632 SKAMCQYCWYEULQ-YQIFXUADSA-N 439.555 6.305 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1c(Cl)cccc1Cl 1862716791 OFTCEBDMSQEBSO-OAQYLSRUSA-N 440.326 6.135 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccc(Cl)c1 1862725349 HFZDUKPVVKHTBX-XMMPIXPASA-N 445.946 6.385 30 10 IKEE N#Cc1ccccc1NC1=C(c2cccc3ccccc23)C(=O)N(Cc2ccc(F)cc2)C1=O 1863231212 YTXFWCGPYNYRQX-UHFFFAOYSA-N 447.469 5.243 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCOC)=C(c2ccc(C)c(C)c2)C1=O 1863607096 TUZNECRISREXAU-UHFFFAOYSA-N 428.617 5.150 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCC)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863633139 LIUDVJSCDPBHDP-UHFFFAOYSA-N 439.427 6.214 30 10 IKEE C=CCN(CC=C)c1cc(N2C[C@@H](C)Cc3ccccc32)nc(-c2ccccc2Cl)n1 1869239762 BYYDJEYSSMSAQA-IBGZPJMESA-N 430.983 6.306 30 10 IKEE N#Cc1nnn(Cc2c(Cl)ccc(Cl)c2Cl)c1NC(=O)CC1CCCCC1 1870104799 JPUHKCAEBHAPKW-UHFFFAOYSA-N 426.735 5.067 30 10 IKEE C=CCn1cc(OCc2ccccc2Cl)c(=O)cc1CNc1ccc(Cl)c(Cl)c1 1871241499 BTIGAQFJOBSWJK-UHFFFAOYSA-N 449.765 6.186 30 10 IKEE Cc1ccsc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(CCc1ccc(F)cc1)C3 1871344849 ZTYDLQYUUMAGSX-MTJSOVHGSA-N 435.520 5.515 30 10 IKEE Cn1cc(/C=C2\Oc3c(ccc4c3CN(C3CCCCCC3)CO4)C2=O)c2ccccc21 1871351837 CMQUXHAIQGTXMI-QFEZKATASA-N 428.532 5.669 30 10 IKEE CCCCN1COc2c(cc3c(c2C)O/C(=C\c2ccccc2Br)C3=O)C1 1871352446 JOKPTZGDRSACKX-ODLFYWEKSA-N 428.326 5.326 30 10 IKEE COc1ccc2c(c1)c(/C=C1\Oc3c(ccc4c3CN(CCC(C)C)CO4)C1=O)cn2C 1871352868 FYQCDHQPOVOYRI-MYKKPKGFSA-N 432.520 5.001 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc([N+](=O)[O-])c(C)c4)c3C)C2=O)c1 1871373815 UYUFKHCINJHRKH-XKZIYDEJSA-N 429.428 5.355 30 10 IKEE CCCCN(CCCC)Cc1c(O)cc(C)c2c1O/C(=C\c1ccc(OCC)cc1)C2=O 1871393382 IGTITUJTUAMDKX-ULJHMMPZSA-N 437.580 6.118 30 10 IKEE O=C1/C(=C/c2c(Cl)cccc2Cl)Oc2c1ccc(O)c2CN1CCCC[C@@H]1CCO 1871396174 SQQPGKUXWMZGHK-LQFJMUIISA-N 448.346 5.052 30 10 IKEE COc1ccccc1/C=C1\Oc2c(ccc(O[C@@H](C)C(=O)Nc3ccccc3)c2C)C1=O 1871404056 HUMLELNNQJOOAV-XYLCRUHJSA-N 429.472 5.026 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2Cl)C3=O)c1 1871456229 SYZAUFGHDIXYBG-XKZIYDEJSA-N 433.891 5.591 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[C@H](C)CC)S(=O)(=O)CCCC 1871825788 MADKVXMKNINDAW-APWZRJJASA-N 448.551 5.067 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cccc(C)c1)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 1872255139 SRXLGEDACTWLFQ-VWLOTQADSA-N 448.588 5.250 30 10 IKEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccccc1CC)S(=O)(=O)c1ccc(C)c(C)c1 1872474438 IXBKBJNSVTZJMB-DEOSSOPVSA-N 442.625 5.096 30 10 IKEE COc1cccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(Cl)c(Cl)c3)n2)c1 1872762653 SVZZYSMFPDLWML-IQIBNGDESA-N 429.328 6.015 30 10 IKEE CC(C)(C)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 1872764373 LEFHIXAPZSIXHR-SFHVURJKSA-N 439.378 6.360 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(Cl)c(Cl)c3)n2)cc1 1872768012 HMUFCOATFIILEA-COKXLDBZSA-N 443.355 6.405 30 10 IKEE Cc1ccc(C)c(-c2csc([C@@H](C#N)C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)c1 1872772565 QEPQAZMLNZSXCU-KRWDZBQOSA-N 436.449 5.042 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccccc3C(C)C)n2)cc1F 1872775374 PCNSFYGNQPJGBR-MAUKXSAKSA-N 438.524 5.725 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC2CCCCC2)=C(c2ccccc2F)C1=O 1873029278 IOUVHZQCIOXOIV-UHFFFAOYSA-N 428.592 5.969 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H](CC)CCCCC)=C(c2ccccc2F)C1=O 1873029827 PKVDLIQWAXJXLO-HXUWFJFHSA-N 430.608 6.215 30 10 IKEE C=CCN1C(=O)C(NCc2ccccc2Cl)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873082734 VDBKUIUJAGYLAN-UHFFFAOYSA-N 428.919 5.063 30 10 IKEE Cc1ccc(CN2C(=O)C(Nc3cccc(C#N)c3)=C(c3c(C)cc(C)cc3C)C2=O)cc1 1873323005 BDUPRPITTNMXJY-UHFFFAOYSA-N 435.527 5.184 30 10 IKEE C=CCn1c(C(=O)N(C)Cc2ccccc2)cc2c(N(CCCC)CCCC)ncnc21 1873562348 YRDWPDIGRQCBFD-UHFFFAOYSA-N 433.600 5.296 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccccc1OC 1874214420 LNQOIWZCCNXZNX-LFVJCYFKSA-N 442.972 5.112 30 10 IKEE COc1cccc(CCc2nnc(SCCc3ccccc3)n2/N=C/c2ccccc2)c1 1874310704 JYVFXDIIKHHFJK-NHFJDJAPSA-N 442.588 5.289 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2cccc(Cl)c2)cc1 1874349302 FERMEIOKMSTSKH-WGOQTCKBSA-N 448.979 5.705 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2ccccc2)c(C)c1 1874429767 AMLFXDSHZHPOOC-WGOQTCKBSA-N 441.560 5.175 30 10 IKEE COc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccccc2C)cc1OC 1874436686 MWKJGNCHHRKKKL-MFKUBSTISA-N 438.597 5.367 30 10 IKEE Cc1ccccc1/C=N/n1c(SCC(=O)Nc2cccc(C)c2C)nnc1C1CCCC1 1874452530 ZYWQOODULAXJEP-CVKSISIWSA-N 447.608 5.474 30 10 IKEE COCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1c(F)cccc1Cl 1874473385 BUYNDTLHIGWPDS-FOKLQQMPSA-N 439.343 5.087 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1/N=C/c1cccc(Cl)c1 1874478016 OOTYHSMDIMXCDC-ZVHZXABRSA-N 441.988 5.196 30 10 IKEE C=C(C)CSc1nnc(C(C)C)n1/N=C/c1ccc(OCc2ccccc2)c(OC)c1 1874513819 RABGLVWGAWYEHS-AFUMVMLFSA-N 436.581 5.540 30 10 IKEE C=CCSc1nnc(C(C)C)n1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1874514472 ZNXYQTAVBUJLFE-WPWMEQJKSA-N 442.588 6.294 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCC(=O)N[C@@H](C)c3ccccc3)nnc2C2CC2)cc1 1874523050 DHLFRVZBBMHHSB-CMPFEXHJSA-N 447.608 5.131 30 10 IKEE Cc1cccc(C)c1OCc1nnc(S)n1/N=C/c1cccc(OCc2ccccc2)c1 1874565351 VYXHAVGCUVKUQP-CVKSISIWSA-N 444.560 5.224 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C(C)C)cc2)c1OCC(=O)Nc1nccs1 1874583717 CHHKAMZTSMBMNB-VAWYXSNFSA-N 436.533 5.189 30 10 IKEE CCc1ccccc1NC(=O)COc1ccccc1/C=C/C(=O)c1cc(C)c(OC)cc1C 1874591076 QUICTZAUJFZAPJ-CCEZHUSRSA-N 443.543 5.788 30 10 IKEE Cc1cccc(NC(=O)COc2cccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)c2)c1C 1874599451 NLTIUPISHOCBKQ-BUHFOSPRSA-N 441.571 6.451 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1OCCCO 1874605784 GDVTXMXMIKTDLH-QPJJXVBHSA-N 429.727 5.703 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1Cl)Nc1nccs1 1874608820 IZGYTRUBCIKYNY-FNORWQNLSA-N 433.316 5.364 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2Cl)c([N+](=O)[O-])c1)c1cccc2ccccc12 1874623144 OFCAMHCOXCZYBN-WYMLVPIESA-N 443.886 6.877 30 10 IKEE C=C(C)COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc1Br 1874624594 LFDHDTJGJLGJEG-JXMROGBWSA-N 443.381 6.606 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1Cl 1874624934 DJVJCLMVCAKBKD-WUXMJOGZSA-N 437.898 6.010 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1Cl 1874637375 WYDWMEKAJIEMDD-ONNFQVAWSA-N 447.745 7.131 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(C)cc3)c2)cc1OC 1874694314 WNZPRWBFNGJGIW-KPKJPENVSA-N 432.472 5.136 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cccc(Br)c3)c2)cc1 1874698122 WXJJFLKTYHWTDN-MDWZMJQESA-N 437.289 5.573 30 10 IKEE CCOc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C)c(C)c3)c2)cc1 1874714364 RHHFLZSNEJXQLA-OQLLNIDSSA-N 430.500 5.583 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2cccc3ccccc23)CSc2nnc(CC)n21 1874839061 AAOJTYIVKGFBKD-JOCHJYFZSA-N 436.625 6.056 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc4ccccc4c3)cc2Cl)cc1 1875096320 IJADQUBYDVJVHX-GXDHUFHOSA-N 440.926 6.846 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3C)c([N+](=O)[O-])c2)cc1 1875106237 JBCTZELGMKXMDV-FOWTUZBSSA-N 443.499 6.361 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OC(=O)c1ccccc1Cl 1875113225 VBAKLSQPRYAPOX-RIYZIHGNSA-N 436.891 5.863 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)CCOc2ccccc2)c(Cl)c1 1875118531 BIDJQSYZLZWUGQ-ACCUITESSA-N 436.891 5.619 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2Cl)c1 1875149973 RCBIFZQZOGBUOI-VMPITWQZSA-N 436.847 5.193 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3cc(C(C)(C)C)ccc3C)cc2)cc1 1875184341 AIAZZJQGQXDBIV-GZTJUZNOSA-N 442.555 6.345 30 10 IKEE C=CCn1c(C(=O)N2CCCCC2)cc2c(NCCCCCCCCCC)ncnc21 1875228756 CLHMOGWRRCMCJB-UHFFFAOYSA-N 425.621 5.796 30 10 IKEE C=CCCC[C@@H](NCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875645926 IQMPBAPNAJMYQI-UHSQPCAPSA-N 445.603 6.212 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1sccc1I 1922069340 PVUREYAIAPXTSE-QGZVFWFLSA-N 427.351 5.166 30 10 IKEE C[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1938770699 GVNQGUFEWGMDKZ-OYHNWAKOSA-N 435.952 5.373 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 1944587296 BSIAJPROYOTIJF-WAIKUNEKSA-N 433.524 5.154 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 1944696497 AHWPULMHDVMZQY-VQIMIIECSA-N 433.524 5.106 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1CC(C)(C)CCN1C(=O)OC(C)(C)C 1948801874 XGEQFESPVMRMTO-DHIUTWEWSA-N 430.633 5.553 30 10 IKEE Cc1cc(C#N)cc([C@H](CCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 1951866143 DHBIYFMYVMFDIH-VWLOTQADSA-N 440.499 5.311 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 2014447834 LBHABUHVDONMDS-URXFXBBRSA-N 430.633 5.411 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C12CCC2 2015373849 SRJFTFXSFXAIKX-QHCPKHFHSA-N 447.963 5.517 30 10 IKEE Cc1ccc(-c2cc(C=Cc3ccc(C(C)(C)C)cc3)c(C#N)c3nc4ccccc4n23)cc1 2040461177 CGKMMOYUKCFUMS-UHFFFAOYSA-N 441.578 7.803 30 10 IKEE CCCCCCCCCCCCCCCc1cccc(OP(=O)(O)O)c1C(=O)O 2069425514 BAQCONCIBGFGAD-UHFFFAOYSA-N 428.506 6.490 30 10 IKEE C=C(C(=O)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)[Si](C)(C)C 2071349696 RIJBPIQKPGLVOQ-MHZLTWQESA-N 446.619 5.881 30 10 IKEE Cc1nn([C@@H](c2ccc(C3CCC3)cc2)C2(C)CC2)c(I)c1C#N 2079897167 UFPGUIUKGSVGSC-SFHVURJKSA-N 431.321 5.325 30 10 IKEE Oc1c2c(nc3c(-c4cc(C(F)(F)F)ccc4F)c(C(F)(F)F)nn13)CCSC2 2081250088 NGXZAYBYDMYRQJ-UHFFFAOYSA-N 437.340 5.068 30 10 IKEE CCCCC#CC[C@@H](NCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2083430542 KVOXBTSPDDJDSU-SHQCIBLASA-N 442.644 5.392 30 10 IKEE Cc1cc(NC(=O)OC(C)(C)C)ccc1NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2094850432 XHMYJLUNIYZESX-UHFFFAOYSA-N 438.377 5.253 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cccc(Br)c1Cl 2136582016 DGOYSPNYLNSWLU-WMZOPIPTSA-N 445.829 6.003 30 10 IKEE CCC1(CC)OCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2155125612 LYIWFRJETIJTTQ-FQEVSTJZSA-N 437.378 5.822 30 10 IKEE N#Cc1cc(F)c(N[C@@H]2CCN(Cc3ccccc3)C3(CCC3)C2)cc1Br 2173445949 VBTVFKNOOITMRU-GOSISDBHSA-N 428.349 5.459 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H](C(C)C)N(C)C(=O)OC(C)(C)C 2235734017 VTXRKEIVXDCFKZ-WOJBJXKFSA-N 437.422 5.060 30 10 IKEE CC[C@H](C)N(Cc1ccccc1)C(=O)c1sc(C)c(B2OC(C)(C)C(C)(C)O2)c1C 2247933451 XLQMBDHYXVWCGX-INIZCTEOSA-N 427.419 5.105 30 10 IKEE Cc1sc(C(=O)N(Cc2ccccc2)[C@@H](C)C(C)C)c(C)c1B1OC(C)(C)C(C)(C)O1 2255595712 ANGAZFZYHKCGPY-SFHVURJKSA-N 441.446 5.351 30 10 IKEE O[C@@H](C#Cc1cccc(Br)c1)c1ccc(Br)c(Br)c1 2278743554 HQRXNRQJABXVGJ-HNNXBMFYSA-N 444.948 5.059 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@H](CC(C)C)NC(=O)OC(C)(C)C 2296293978 OYDCKZQZYKGHLN-UXHICEINSA-N 437.422 5.108 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)CC 2296300379 HIPOVXGZYULYQA-AHRSYUTCSA-N 437.422 5.108 30 10 IKEE Cc1ccc(NC(=S)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 2296404883 APLBMSQIRFLLEZ-UHFFFAOYSA-N 425.561 5.477 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc4c(c2)OCO4)C3=O)cc1 2296871050 DFZSSNONVFSAFH-UHFFFAOYSA-N 442.467 5.548 30 10 IKEE CCCCCCCCCCOc1ccc(C2=NC(=CC=Cc3ccccc3)C(=O)O2)cc1 2297182772 QUQXTDLJMPDNBJ-UHFFFAOYSA-N 431.576 7.107 30 10 IKEE C=CCN1C(=O)C(=Cc2ccccc2OCCOc2ccccc2Cl)SC1=S 2297335710 NNGUSNTXYXBREH-UHFFFAOYSA-N 431.966 5.185 30 10 IKEE C=CCOC(=O)c1cccc(-c2ccc(C=C3C(=O)N(c4ccc(F)cc4)N=C3C)o2)c1 2297366011 BKJLMDWYDOEDQW-UHFFFAOYSA-N 430.435 5.235 30 10 IKEE COc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2SC(=Nc3ccc(C)cc3C)NC2=O)o1 2313514040 NVUMETUEWLSIEC-UHFFFAOYSA-N 449.488 5.372 30 10 IKEE O=C1C(=Cc2ccc(Br)o2)SC(=Nc2nccs2)N1C1CCCCC1 2314541742 BVYHNXZFYHCKTO-UHFFFAOYSA-N 438.372 5.435 30 10 IKEE COc1ccc(NN=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 2318413644 QWINKDPDNWQUTE-UHFFFAOYSA-N 431.319 6.036 30 10 IKEE Cc1c(OCc2c(Cl)cccc2Cl)ccc2c1OC(=Cc1cccc(F)c1)C2=O 2321774185 XUSICLKUNIJKEZ-UHFFFAOYSA-N 429.274 6.636 30 10 IKEE CCCCCCCCN1COc2ccc3c(c2C1)OC(=Cc1ccccc1Cl)C3=O 2322183661 BYRSVERJQGXEHI-UHFFFAOYSA-N 425.956 6.469 30 10 IKEE COc1cccc(C=C2Oc3c(cc4c(c3C)OCN(CCCc3ccccc3)C4)C2=O)c1 2322427194 ILDJIRFSILIYAC-UHFFFAOYSA-N 441.527 5.405 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2sccc2C)C3=O)c1 2322807089 YRLQHQKYIIMGTE-UHFFFAOYSA-N 436.485 5.218 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1OCc1nc(O)c2ccccc2n1 2323106008 DOUXONBUPDKONH-UHFFFAOYSA-N 448.425 5.097 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)C=Cc1cccc(Cl)c1 2323154285 RARCIWCCCFXLIC-HXUWFJFHSA-N 425.038 5.068 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OC(=O)C=Cc4ccco4)cc(C)c3C2=O)cc1 2323168797 CPRJQZMIUWVSLP-UHFFFAOYSA-N 443.499 5.669 30 10 IKEE CCc1ccc(NC(=O)COc2cccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)c2)cc1 2323259713 VINMWDBOQOIFGK-UHFFFAOYSA-N 441.571 6.396 30 10 IKEE Cc1cc(C(=O)Oc2ccc3c(c2C)OC(=Cc2sccc2C)C3=O)ccc1[N+](=O)[O-] 2323280115 QIMWJEAKUFPHOT-UHFFFAOYSA-N 435.457 5.417 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cc(C)ccc3C)c(OC)c2)c1 2323511293 KGLOACRTABSEOS-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)NC3CCCCC3)c(Cl)c2)cc1 2323628337 VFCXGPJTSIYZDC-UHFFFAOYSA-N 427.928 5.072 30 10 IKEE CCN(CC)C(=O)COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1Br 2323972733 PYNVGVBJHQLOAU-UHFFFAOYSA-N 448.332 5.040 30 10 IKEE Cc1cccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccc(C)c(Cl)c4)ccc3C2=O)c1 2324352243 WHSVIXHJYOSACR-QGZVFWFLSA-N 447.918 5.979 30 10 IKEE Cc1cc(O[C@H](C)C(=O)Nc2ccccc2)cc2c1C(=O)C(=Cc1ccc(Cl)cc1)O2 2324404208 HJBZYKQIDWZHTG-MRXNPFEDSA-N 433.891 5.671 30 10 IKEE Cc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1ccc(N(C)C)cc1)C2=O 2324406126 CCFBFEGXCQEHNA-GOSISDBHSA-N 442.515 5.083 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)C=Cc2ccc(F)cc2)n1 2324781143 CGRYBIGLNBWITI-GOSISDBHSA-N 426.900 5.809 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2cccc3ccccc23)c1)c1ccc2c(c1)CCCC2 2325701824 UCZAWUASSMVHPE-UHFFFAOYSA-N 432.519 6.834 30 10 IKEE Cc1cccc(COc2ccc3c(c2C)OC(=Cc2c(Cl)cccc2Cl)C3=O)c1 2325720987 QGZITEMPHDIGAF-UHFFFAOYSA-N 425.311 6.805 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)c2)cc1 2325734971 AEMAZZDMPPGYOC-DNQXCXABSA-N 446.930 6.344 30 10 IKEE Cc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C 2325746362 KGXVLVLCGUKWJJ-UHFFFAOYSA-N 442.555 6.481 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(Cl)cc3)c2)cc1Cl 2325768654 PJMZMHIKLAEKTN-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE CCCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccccc1C 2326137621 OMVKHKUAQXPCJD-UHFFFAOYSA-N 428.989 5.820 30 10 IKEE CCCOc1ccc(C=Nn2cnnc2SCc2ccc(C(C)(C)C)cc2)cc1Cl 2326315416 QQHVTSLPJPVZPP-UHFFFAOYSA-N 443.016 6.192 30 10 IKEE CSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1c(F)cccc1Cl 2326503742 NJZFOBKVIRFJOF-UHFFFAOYSA-N 425.316 5.216 30 10 IKEE CCCOc1ccccc1C=Nn1c(COc2ccccc2Cl)nnc1SCCC 2327675885 YCDYZTSRMFDXJS-UHFFFAOYSA-N 444.988 5.684 30 10 IKEE CCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1ccc(Cl)c(Cl)c1 2328475069 IIKSWOXIEQHFMG-UHFFFAOYSA-N 436.324 5.078 30 10 IKEE C=CCSc1nnc(COc2ccc(C)cc2C)n1N=Cc1ccc(Cl)cc1Cl 2328907058 NDOGAJIWCRYCOY-UHFFFAOYSA-N 447.391 5.941 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(F)cc3)n2N=Cc2sccc2C)cc1 2329799689 NAIVQTQPWRKVIF-UHFFFAOYSA-N 436.581 5.861 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(COc2ccccc2)n1N=Cc1ccc[nH]1 2329929968 HDGJFDSLQLMOQK-UHFFFAOYSA-N 441.919 5.152 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3Cl)n2N=Cc2cccn2C)cc1 2330004215 OWCBXBQTONBLRF-UHFFFAOYSA-N 435.984 5.344 30 10 IKEE Cc1cccc(CSc2nnc([C@H](C)c3ccccc3)n2N=Cc2ccc(O)cc2O)c1 2330075782 QPYOVQOJIOWHJH-GOSISDBHSA-N 444.560 5.324 30 10 IKEE Clc1cccc(CSc2nnc(CC3CCCCC3)n2N=Cc2ccccc2)c1 2330293214 FOFGQUCTRAAFSP-UHFFFAOYSA-N 425.001 6.229 30 10 IKEE Clc1ccc(CSc2nnc(Cc3cccs3)n2N=Cc2cccnc2)cc1 2330422806 CQQZIICLBHMSTD-UHFFFAOYSA-N 425.970 5.153 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCC)nnc2-c2cccs2)cc1OCC 2330570675 AKDTVUYHJZYIIR-UHFFFAOYSA-N 430.599 5.578 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2cccc3ccccc23)cc1 2330625462 OGBAJNMJSFHISG-UHFFFAOYSA-N 434.568 6.581 30 10 IKEE CCOc1cccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccc(F)cc2)c1 2330814608 MLRMRMAMVQHKHE-UHFFFAOYSA-N 426.561 5.579 30 10 IKEE CCSc1nnc(C2CCCC2)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2331052067 ZXFRNXNEMUTDOD-UHFFFAOYSA-N 441.000 6.162 30 10 IKEE Fc1cccc(CSc2nnc(C(F)(F)F)n2N=Cc2cccc3ccccc23)c1 2331123589 UGEINOJEDSWWGJ-UHFFFAOYSA-N 430.430 5.764 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)cc2F)c(Cl)c1)c1ccc(Cl)cc1 2331144001 ZBKONYWHOOTNGP-UHFFFAOYSA-N 433.237 6.387 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2Br)c1 2331169243 RAPHXNIRUNITFR-UHFFFAOYSA-N 435.317 6.181 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)Cc1cc(OC)ccc1OC 2331179161 KXKMSIKFQRCIIE-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OC 2331293418 ISZVQOTWRRUWQW-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(C)c3)cc2[N+](=O)[O-])cc1C 2331340046 PKUZEZAAKRMIQO-UHFFFAOYSA-N 433.435 5.774 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)cc(Cl)c1OC(=O)CC(C)C 2331618350 AMKMINLCVGRERW-UHFFFAOYSA-N 444.955 6.212 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OC(=O)CSc3ccccc3)cc2)c1C 2331644393 DGGKDTQPDOTGHP-UHFFFAOYSA-N 430.569 6.514 30 10 IKEE CC(C)c1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccccc1Cl 2331705478 SORACJMDHPMGSC-UHFFFAOYSA-N 439.799 6.536 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2ccccc2C)c(Cl)c1 2331876604 MSZFTSNBAAEGDC-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CC(C)(C)C)c(Cl)c2)c(OC)c1OC 2331885750 GNCOVTBXLURQIC-UHFFFAOYSA-N 446.927 5.604 30 10 IKEE C=CCOc1ccccc1C=C1C(=O)N(Cc2c(F)cccc2Cl)N=C1C(F)(F)F 2332114288 MXTGRSOEIKOUFM-UHFFFAOYSA-N 438.808 5.388 30 10 IKEE CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CC[C@@H]1OC1(C)C 2333122838 QYIMSPSDBYKPPY-LJAQVGFWSA-N 426.729 9.816 30 10 IKEE CC(=CCCC=C(C)CCC=C(C)CC[C@@H]1OC1(C)C)CCC=C(C)CC[C@@H]1OC1(C)C 2333213058 KABSNIWLJXCBGG-NSOVKSMOSA-N 442.728 9.027 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1snnc1C1CC1 2336542841 BSKPKNRPTUOSEN-CQSZACIVSA-N 435.347 5.184 30 10 IKEE CC1(C)[C@H](CNc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN1Cc1ccccc1 2365124563 IXIJKKPXNKFLRX-INJZMFEXSA-N 447.432 5.439 30 10 IKEE CC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1sc2c(c1C#N)CCCC2 1932449 FHQFTEBPBLOPLB-UHFFFAOYSA-N 447.398 5.576 30 10 IKEE COc1ccccc1/C=C/C=C1/Oc2cc(OC(=O)c3ccccc3Cl)ccc2C1=O 2415845 HBAPEQCAOZZERL-RJABIYPMSA-N 432.859 5.740 30 10 IKEE C=CCOc1cccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(C)cc3s2)c1 33271542 GUTXDTFTBAZCKA-GOSISDBHSA-N 430.533 5.138 30 10 IKEE CCCN(CCCNc1ccc(N=[N+]=[N-])cc1[N+](=O)[O-])[C@H]1CCc2cccc(OC)c2C1 33753432 NSSKXPZJFSGUMR-IBGZPJMESA-N 438.532 5.617 30 10 IKEE CCOc1ccc2oc(C)c(C(=O)Oc3ccc(/C=C/C(=O)c4ccc(C)cc4)cc3)c2c1 34954967 NMWMRACENXHTTJ-OQLLNIDSSA-N 440.495 6.564 30 10 IKEE C[C@H](Nc1oc(-c2ccc(OCc3ccccc3Cl)cc2)nc1C#N)c1ccccc1 39841537 UHPWXCGGOULFSY-KRWDZBQOSA-N 429.907 6.619 30 10 IKEE COc1ccc(/C=C2\S/C(=N/c3nccs3)N(C3CCCCC3)C2=O)cc1OC 39865056 FJRGROSOQGYTTG-ZIARRYFKSA-N 429.567 5.097 30 10 IKEE CCCCCCCCOc1ccc(-c2nnc([C@@](C)(N)CO)s2)cc1C(F)(F)F 43208591 JVHRETCRWVFQEC-IBGZPJMESA-N 431.524 5.129 30 10 IKEE in-vivo C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)nnc1-c1ccco1 45643319 HJQZCUIZDVKPKK-LBPRGKRZSA-N 437.352 5.000 30 10 IKEE O=C1/C(=N/Nc2ccc([N+](=O)[O-])cc2)c2ccccc2N1C(c1ccccc1)c1ccccc1 59165634 UUAVDVGHSFMVKH-XLVZBRSZSA-N 448.482 5.547 30 10 IKEE COc1ccc(-c2nc(SC)nc(Nc3ccc(F)c(Cl)c3)c2C#N)cc1OC 62039739 ADSPXQHFEQVHOG-UHFFFAOYSA-N 430.892 5.290 30 10 IKEE C=CCOc1cccc2c1cc(C(=O)NCCCC)n2Cc1ccc(C(F)(F)F)cc1 96280158 KTBSASSDJWGUEP-UHFFFAOYSA-N 430.470 5.803 30 10 IKEE CCCCCCCCCCCCCCCCNCC(=O)Nc1cccc(C(=O)NCC)c1 100055994 IDGTZVRMODOUFE-UHFFFAOYSA-N 445.692 6.446 30 10 IKEE CCCCCCCOc1ccc(NCC(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1 100077829 GOQKRTPIKXUVIY-UHFFFAOYSA-N 437.584 5.322 30 10 IKEE CCCCCCCCCCOc1ccc(/C=C2/N[C@@H](c3ccc(Cl)cc3)OC2=O)cc1 100167658 QMSCVJKPRCHJJC-FLXPQLCOSA-N 441.999 7.046 30 10 IKEE Oc1c(Br)cc(Br)cc1/C=N/c1ccc(OC(F)(F)F)cc1 101055256 AQAJMQBTPKLOKE-IFRROFPPSA-N 439.025 5.566 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)S/C1=N/c1nc(-c2ccccc2)cs1 101130620 FNHBXXXPRFEPDG-ROIOHNFESA-N 447.541 5.329 30 10 IKEE C=CC(=O)N[C@H](C)c1nc2ccccc2n1CCCCCCCCCCCCCCCC 102123259 FUAYSQXWIRCHGT-XMMPIXPASA-N 439.688 7.881 30 10 IKEE CCCCCCCn1c([C@@H](C)NC(=O)Cc2ccc(OC)c(OC)c2)nc2ccccc21 102131852 YQCKRYATWATMPD-LJQANCHMSA-N 437.584 5.444 30 10 IKEE CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(Cl)cc2)cc1 102484829 YNCMWBGODJXPGF-VFJWVMJUSA-N 448.906 5.150 30 10 IKEE COc1ccc(C(=O)/C(=C\c2ccccc2[N+](=O)[O-])c2nc3ccccc3o2)cc1OC 102724217 QBGDXLJPTXQEDH-GHRIWEEISA-N 430.416 5.177 30 10 IKEE CC1=C(C)SC([C@H]2SC(NN=C(c3ccccc3)c3ccccc3)=NC2=O)S1 102777159 FTWFZLHLYBBVRR-SFHVURJKSA-N 425.604 5.084 30 10 IKEE CC(C)COC(=O)c1cc(-c2ccc(/C=C3/C(=O)ON=C3c3ccccc3)o2)ccc1Cl 103771025 PSOSDOPBGNGVHK-DEDYPNTBSA-N 449.890 5.757 30 10 IKEE N#C[C@@H]1CCCC[C@@H]1Nc1c(Br)cc(Br)cc1Br 104013836 PWLCZYHNTZFBDU-UFBFGSQYSA-N 436.973 5.468 30 10 IKEE Cc1ccccc1/N=C1/S/C(=C2\Sc3ccccc3N2C)C(=O)N1Cc1ccccc1 109397891 VTHCPHUYQRIFCF-QPRJYHLLSA-N 443.597 6.169 30 10 IKEE C=CCn1c(C(=O)Nc2cc(OC)c(OC)cc2C(=O)O)c(C)c2cc(C(C)C)ccc21 169870253 SXKSRQIAESLBGQ-UHFFFAOYSA-N 436.508 5.227 30 10 IKEE CCCOc1c(Cl)cc(/C=N\n2c(S)nnc2CCc2ccccc2)cc1Cl 169911343 SEGGJSWASRJNOR-QRVIBDJDSA-N 435.380 5.330 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2cccs2)c1 169928485 YEEGZBRIKXXMCW-JOCHJYFZSA-N 445.496 5.281 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccc(F)cc2)c1 169929405 JFOWJRAAYIHHCI-NRFANRHFSA-N 437.854 5.271 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1c1ccc(C)cc1 169944478 UKNNUJMOAZYXJZ-XMMPIXPASA-N 438.483 5.268 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2cc(C)ccc2C)=C(O)C(=O)N1c1ccc(C)cc1C 169945203 HJMGIWBGCXXNIF-VWLOTQADSA-N 441.527 5.712 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@H]2c2ccccn2)cc1 169996490 IWQSDINEJGDXFI-QFIPXVFZSA-N 448.906 5.225 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@H]2c2cccnc2)cc1 170003456 OWACSEDJONJWBG-QHCPKHFHSA-N 426.516 5.470 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccncc2)cc1Cl 170021641 SQIPKODTDPGFQO-HXUWFJFHSA-N 439.298 5.480 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 170050462 ADEAWIKUFNXDTQ-HXUWFJFHSA-N 442.273 5.915 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@@H]2c2ccccc2)cc1 170050532 IDONJYHIYOOVAC-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccc(Cl)cc2)cc1C 170058744 ZZKWVKIYWNSSDG-QFIPXVFZSA-N 432.907 5.130 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccccc1F)c1ccc(F)cc1 170070463 WAKSVMDYBTWTSH-HXUWFJFHSA-N 425.818 5.401 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@@H]1c1cccs1 170156279 NCUWMDWNWPJYHV-JOCHJYFZSA-N 449.528 5.165 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2cccs2)c1 170156687 SQIHAGFHZJWGFK-HSZRJFAPSA-N 425.509 5.993 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1ccccn1 170176435 VKOVQGXKUHKKDE-OAQYLSRUSA-N 448.906 5.143 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccnc2)cc1C(C)C 170191124 VBMRODCRNVKDHG-XMMPIXPASA-N 442.515 5.305 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccnc2)cc1C(C)C 170194051 RSBGIXQACMEIJR-DEOSSOPVSA-N 448.563 5.515 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1ccc(C(C)C)cc1 170245630 JGWMUFINBRXABH-DEOSSOPVSA-N 433.592 6.404 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccccc2F)c1 170248605 UYKSLVQLVDGGHZ-VWLOTQADSA-N 437.470 6.070 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1cccc(O)c1 170263606 QGIARRAORLQZIB-OAQYLSRUSA-N 439.895 5.560 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccco2)ccc1OC(C)C 170296199 NULBTOWIZRKTGH-QHCPKHFHSA-N 449.478 5.293 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2sccc2C)c1 170314265 BRELNAGGBXGYBR-LJQANCHMSA-N 434.473 5.056 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)cc1 170391383 NKLZBWGCLLAUMO-JOCHJYFZSA-N 435.882 5.824 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2cccc(Cl)c2)cc1O 170409275 CHKRRSJVYAVWTO-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE CCOc1cc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(Cl)cc2C)ccc1O 170465095 BMIAQWVOEFEFKX-QFIPXVFZSA-N 443.927 5.268 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 170467197 ADJHUBJVRCELNE-HSZRJFAPSA-N 433.592 6.623 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c(O)ccc3ccccc13)N2 226904800 HTSIDBQSLJNPIE-UQARTHHBSA-N 427.588 7.721 30 10 IKEE COc1ccc2c(c1)C(=NNC(=S)Nc1ccc(Oc3ccccc3)cc1)CC(C)(C)O2 254559839 JZRJFUMRKWZZJP-UHFFFAOYSA-N 447.560 5.739 30 10 IKEE COc1ccc(OC)c(-c2csc(=Nc3ccc(F)cc3F)n2N=Cc2ccco2)c1 254569570 RKJOQONABXHHDM-UHFFFAOYSA-N 441.459 5.220 30 10 IKEE COc1cccc(C=Nc2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c1OC 254700982 LODFTWUBCBRYFR-UHFFFAOYSA-N 426.582 5.457 30 10 IKEE C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](C(=O)COC(=O)c3ccccc3)CC[C@H]12 504153358 RSZHYTMCURJIHZ-RLOIXHENSA-N 434.576 5.561 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccccc2OC)cc1 526486886 SHFPMKIXCJYXKN-DEOSSOPVSA-N 426.472 5.023 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(O)c(Cl)c2)cc1 526603188 JVKWZIVVNGSAFB-HSZRJFAPSA-N 446.890 5.373 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(F)c1 526608747 NHZFRRAALXZFTD-OAQYLSRUSA-N 439.273 6.061 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1ccc(O)c(Cl)c1 526811315 HKDVHSDJSOBPBH-CFRMEGHHSA-N 428.989 5.771 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccc(OCCC)cc1 526816998 SHPJWRHOLUCGKU-XYGWBWBKSA-N 443.016 6.237 30 10 IKEE Cc1ccsc1/C=N\n1c(CCc2ccccc2)nnc1SCc1cccc(F)c1 526825218 AVRVYBBZEIDWIT-MYYYXRDXSA-N 436.581 5.747 30 10 IKEE CCCCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1/N=C\c1cccc(C)c1 526831397 PXFSKVYJWWPVRD-OYKKKHCWSA-N 440.569 5.262 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 698375604 TWZULIMZIRANJQ-DEOSSOPVSA-N 444.531 6.281 30 10 IKEE 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 700605738 ULYMDNKCDFNHNC-OETAKHSWSA-N 433.593 5.094 30 10 IKEE C=CC[C@@H](C)[C@@H](NCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 715786518 GTXXBKRJGMDREG-ATZDWAIDSA-N 425.411 5.075 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@]1(C#N)C[C@@H]2C[C@@H](CN2Cc2ccccc2)C1 716619772 HMEXXPPZZCPXBM-ONBPZOJHSA-N 431.580 5.371 30 10 IKEE CCCCCCCCC[C@H](O)c1ccc(I)c(Br)c1 721595114 TUQMITMUMATPFJ-INIZCTEOSA-N 439.175 6.228 30 10 IKEE CN1C(=O)C[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)SC1=Nc1ccc(Cl)cc1 725419003 RXJZOCWFXMJWKJ-OAHLLOKOSA-N 442.755 5.237 30 10 IKEE Fc1ccc(N=Cc2cc(Br)c(Sc3ccc(Cl)cc3)o2)c(F)c1 1084412926 OTPRPXNLKJGJLJ-UHFFFAOYSA-N 428.685 6.876 30 10 IKEE Cc1ccccc1/C=C1/S/C(=N/N=C/c2ccc(Cl)cc2)N(Cc2ccco2)C1=O 1615301491 XWSIPQHPGJUCKC-IBTWPMPSSA-N 435.936 5.748 30 10 IKEE O=C1/C(=C/C=C\c2ccccc2[N+](=O)[O-])SC(=Nc2cccnc2)N1C1CCCCC1 1772731745 RIRRVVYPFVMSLJ-WHKUUTJHSA-N 434.521 5.483 30 10 IKEE COc1ccccc1/C=C1\SC(=NN=Cc2ccccc2C)N(Cc2ccco2)C1=O 1772757891 VAGGZXULUACBER-KGXKECERSA-N 431.517 5.103 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccc2O[C@H](C)C(=O)OCC(C)C)c1 1858734927 FVYHLGRDZOVGLA-GOSISDBHSA-N 439.556 5.138 30 10 IKEE N#Cc1ccccc1NC(=O)c1nn(Cc2ccc(Cl)cc2)c(-c2ccccc2)c1Cl 1859381169 IJJZIWXFCBPSLX-UHFFFAOYSA-N 447.325 6.029 30 10 IKEE COc1ccc(-n2nc(C(=O)Nc3ccc(C#N)cc3)c(Cl)c2-c2ccc(F)cc2)cc1 1859383823 PUZMHJYLSINANW-UHFFFAOYSA-N 446.869 5.464 30 10 IKEE CCOC(=O)c1sc(NC(=O)c2ccc(-c3ccc(C)c(C)c3)nc2C)c(C#N)c1C 1859757649 FPKCYKYKNUASMU-UHFFFAOYSA-N 433.533 5.344 30 10 IKEE N#Cc1c(-c2ccccc2)ccnc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 1859810612 LYFQBUXQMRNVCG-UHFFFAOYSA-N 430.555 5.532 30 10 IKEE CCCCCCCCCOc1cccc(NC(=O)/C=C/c2cc(OC)ccc2OC)c1 1860123176 ANEUDPJOZFGDIA-SAPNQHFASA-N 425.569 6.485 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCC)NC(=O)Cc1cc(Cl)ccc1SC 1860972809 BQMWGCNFFGHMHY-LJQANCHMSA-N 427.054 5.366 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(CCCC)cc2)n(-c2ccc(OC)cc2)n1 1862333918 DERSPBZVNJBEHQ-UHFFFAOYSA-N 429.564 5.705 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)cc1Cl 1862452038 SJCMIACEUYJLAW-VOJFVSQTSA-N 438.738 6.024 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1cc(Cl)cc(Cl)c1 1862467326 NLIMHDLDRAIUQV-KRWDZBQOSA-N 442.220 5.175 30 10 IKEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc(O)c2)cc1 1862475654 RJYYHUUECUPOOZ-BXKMTCNYSA-N 443.499 5.049 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc(OCCC)c1 1862480054 WUIGIDPXCBOCRT-DEOSSOPVSA-N 435.564 5.942 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCc2cccs2)cc1 1862501921 NSDAKLRZYVPAKK-QHCPKHFHSA-N 449.547 5.579 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(OCCCCC)cc1 1862511231 JISRGEMVRUTPFS-QHCPKHFHSA-N 437.511 5.467 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2cccc(OC)c2)cc1 1862529770 JUIJYWIWRLTENS-VWLOTQADSA-N 447.575 5.949 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2ccccc2Cl)cc1 1862536163 SBCAYPCVBWLDEO-XMMPIXPASA-N 445.946 5.989 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1c(Cl)cccc1Cl 1862538493 IGHGNKKTLVVSDY-HXUWFJFHSA-N 432.347 5.934 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862619066 MVBZMLFAYWPYFJ-GAJHUEQPSA-N 435.564 5.760 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc(C(C)C)cc2)cc1 1862690609 CEUKDHNKARWVIV-MQVPCNEGSA-N 447.575 5.976 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)c1 1862713783 WKEMDVBJHUVXRH-NFQMXDRXSA-N 447.534 6.488 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1 1862721040 AQOKBAUQOOLOEH-AREMUKBSSA-N 437.539 6.265 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(Cl)cc1Cl 1862721715 QXZYRTQFGRFBBX-NRFANRHFSA-N 440.326 6.135 30 10 IKEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1 1862722636 WFAIUFKEUDTILO-UKILVPOCSA-N 439.511 5.111 30 10 IKEE Cc1cccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(Cl)cc3)C2=O)c1C 1862791461 PYFKDPBPRHJLEV-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(Cl)cc3)C2=O)c(C)c1 1862797588 XFKZUOKIYJSPPY-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CC(C)(C)c1ccccc1NC1=C(c2ccccc2F)C(=O)N(c2ccccc2C#N)C1=O 1862934805 WSZIRAXZGZZORL-UHFFFAOYSA-N 439.490 5.391 30 10 IKEE N#Cc1cccc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C(F)(F)F)c1 1865780591 FHERTLAUSLNOJZ-UHFFFAOYSA-N 436.220 6.198 30 10 IKEE Cc1nc(Nc2ccc(C#N)cc2)cc(N2CCC[C@H]2Cc2ccc(Br)cc2)n1 1868494155 ALHHWNACLZAHFF-NRFANRHFSA-N 448.368 5.374 30 10 IKEE N#Cc1nnn(-c2ccc(Cl)c(Cl)c2)c1NC(=O)c1ccc(-c2ccccc2)cc1 1870137521 PUZHCGPUUAVPDE-UHFFFAOYSA-N 434.286 5.365 30 10 IKEE CC(C)(C)c1ccc(/C=C/C(=O)Nc2c(C#N)nnn2-c2cc(Cl)cc(Cl)c2)cc1 1870140849 MUTAKIVSRJDRTM-RMKNXTFCSA-N 440.334 5.395 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2)c(CNc2ccccc2CC)cc1=O 1870833448 JQXQDFYMIBEJQV-UHFFFAOYSA-N 432.608 6.420 30 10 IKEE CCCCCCCCn1cc(OCCCCCC)c(=O)cc1CNc1ccc(OC)cc1 1871124915 CRSDDAXMLZHXHW-UHFFFAOYSA-N 442.644 6.789 30 10 IKEE CCCCCCCCCCn1cc(OCCCCC)c(=O)cc1CNc1ccc(C)cc1 1871132819 YSYUDHASGIDCGX-UHFFFAOYSA-N 440.672 7.479 30 10 IKEE C=CCn1cc(OCCCCOc2ccccc2C)c(=O)cc1CNc1cccc(C)c1 1871228115 VKCSQWBXIVYAKE-UHFFFAOYSA-N 432.564 5.501 30 10 IKEE CCCCCCCCN1COc2ccc3c(c2C1)O/C(=C\c1cn(C)c2ccccc12)C3=O 1871348615 JDJRJMJGQOCBEH-QQXSKIMKSA-N 444.575 6.307 30 10 IKEE CCCCCCCCCCN1COc2c(cc3c(c2C)O/C(=C\c2cccc(C)c2)C3=O)C1 1871356183 YTICZMVSQGCZOW-ONUIUJJFSA-N 447.619 7.212 30 10 IKEE C=CCOc1cccc(C(=O)Nc2ccc3oc(-c4ccc(OC)cc4)cc(=O)c3c2)c1 1871358565 PLAWFNONRWQSNJ-UHFFFAOYSA-N 427.456 5.286 30 10 IKEE Cc1cc(OC(=O)c2cccc(Br)c2)cc2c1C(=O)/C(=C/c1ccco1)O2 1871364516 PMVUGAPETOQLGI-ZDLGFXPLSA-N 425.234 5.186 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OC(=O)CCc4ccccc4)ccc3C2=O)cc1 1871385737 JZNSHJSLVGGOKA-ITYLOYPMSA-N 441.527 5.687 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccccc2C)C3=O)cc1 1871412022 UEFLIQOTNQZIRX-UFAQQFSPSA-N 441.527 5.888 30 10 IKEE CCc1ccc(OCCCOc2ccc3c(c2)O/C(=C\c2ccccc2OC)C3=O)cc1 1871412750 BOYLZZQHGFIVJN-ONUIUJJFSA-N 430.500 5.722 30 10 IKEE COc1ccc(OCCCOc2ccc3c(c2C)O/C(=C\c2sccc2C)C3=O)cc1 1871415733 QNAUOLLRSINCHI-JCMHNJIXSA-N 436.529 5.838 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2c(c1C)O/C(=C\c1cn(C)c3ccccc13)C2=O 1871430409 JHYSCJSAGXYGEQ-IWIPYMOSSA-N 446.547 5.130 30 10 IKEE CCc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2sccc2C)C3=O)cc1 1871453974 BIXVOBGDAJZIOJ-BKUYFWCQSA-N 433.529 5.561 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(C)c(C)c2)[nH]c(N2CCOCC2)n1 1871528757 SGJBNXOOUAAWES-UHFFFAOYSA-N 440.636 5.043 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)CCCC 1872012613 MOLKANQFYDFHBO-QFIPXVFZSA-N 436.662 5.345 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1C)[C@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1872440850 HGUFJDRQKHUNPC-VGOFRKELSA-N 449.016 5.269 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(C)cc1C)C(C)C)S(=O)(=O)c1c(C)cc(C)cc1C 1872519879 LXXYJAAUTUCFTQ-HSZRJFAPSA-N 442.625 5.069 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(F)cc1 1872556546 ISNNSAUVGLDAHY-HSZRJFAPSA-N 446.588 5.207 30 10 IKEE N#C[C@H](C(=O)Cc1ccccc1[N+](=O)[O-])c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872759647 VDIPTLNPXJWFPS-OAQYLSRUSA-N 439.496 5.804 30 10 IKEE N#C[C@H](C(=O)/C=C/c1cccc(Cl)c1)c1nc(-c2cccc(Br)c2)cs1 1872763018 CCFFYLKPYPIOOH-IWAYRVGRSA-N 443.753 6.116 30 10 IKEE CC(C)COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 1872768757 BJDYIFYFFXRWNM-QGZVFWFLSA-N 445.371 6.642 30 10 IKEE CC(C)c1ccccc1O[C@@H](C)C(=O)[C@@H](C#N)c1nc(-c2c[nH]c3ccccc23)cs1 1872777413 NBAJYOLEKIAEOT-QFBILLFUSA-N 429.545 6.059 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3Br)n2)c(OC)c1 1872784642 WIGZXIQRHNVEBR-HNNXBMFYSA-N 443.322 5.080 30 10 IKEE COc1cccc(OC)c1C(=O)[C@@H](C#N)c1nc(-c2cc(C(C)(C)C)ccc2C)cs1 1872785196 HYWRQXSXWSALLT-GOSISDBHSA-N 434.561 5.923 30 10 IKEE COc1c(Cl)cc(-c2csc([C@H](C#N)C(=O)c3ccc(N(C)C)cc3)n2)cc1Cl 1872785729 UYNJLDLVRWTLKQ-OAHLLOKOSA-N 446.359 5.682 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)COc2ccc(C)cc2C)n1 1872786749 RIUKKBKCAPGGSE-SFHVURJKSA-N 440.952 5.653 30 10 IKEE COc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 1872787861 TZHPMRQBHSILHE-QVNOTHCHSA-N 429.328 6.015 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@@H](C)CC)=C(c2c(C)cc(C)cc2C)C1=O 1873120804 WEYYXUICMZSNEV-QFIPXVFZSA-N 426.645 6.221 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2OC)C(=O)N(CCC2=CCCCC2)C1=O 1873152212 APHCHRUYSPIKBQ-UHFFFAOYSA-N 438.612 5.616 30 10 IKEE CCCCCN1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873275403 GMSJLDXQGLLYKY-UHFFFAOYSA-N 435.527 5.607 30 10 IKEE O=c1c(Cl)c(N/N=C/c2c(Cl)cccc2Cl)cnn1-c1cccc(Cl)c1 1873526645 PHWJDBFIOZGPHJ-GZIVZEMBSA-N 428.106 5.292 30 10 IKEE C=CCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1ccc(Cl)cc1 1873685410 QHBUVAYMDOMZHR-UHFFFAOYSA-N 428.941 5.029 30 10 IKEE CCCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccco1 1874194056 VMJPCYYBAKCZQA-OEAKJJBVSA-N 432.977 5.537 30 10 IKEE C=CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1cccc(O)c1 1874203295 VAGRHDRYIKLGSC-MFKUBSTISA-N 436.581 5.329 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2ccccc2)n1/N=C/c1ccncc1 1874300180 BTIGTSCEMBWMBJ-CVKSISIWSA-N 429.549 5.043 30 10 IKEE CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874339439 WMDFDXPBQQGXMO-WGOQTCKBSA-N 448.979 5.705 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc[nH]1 1874377424 VLYXNGXARSHWGV-RPPGKUMJSA-N 443.910 5.303 30 10 IKEE Cc1cccc(CSc2nnc([C@H](C)c3ccccc3)n2/N=C/c2ccccc2C)c1 1874394021 DXNNQSQYKSIVRW-ADIMLFFHSA-N 426.589 6.221 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCC)cc1OC 1874403006 NIEIBXZDPWVHRE-XIEYBQDHSA-N 438.597 5.245 30 10 IKEE CCCOc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccccc2C)c1 1874437119 KUIPVBFIAAZSJP-YZSQISJMSA-N 436.625 6.138 30 10 IKEE Fc1cccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C2CCC2)c1 1874496320 GLLLVBLUOQWMFX-BHGWPJFGSA-N 435.355 6.166 30 10 IKEE CCCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1/N=C/c1ccccc1Cl 1874504914 IEJHXHJTWVSYPO-ZMOGYAJESA-N 441.988 5.114 30 10 IKEE Cc1cccc(CSc2nncn2/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c1 1874536697 PZALKJTYZQFSQE-MZJWZYIUSA-N 448.979 5.993 30 10 IKEE Oc1ccc2cc(Br)ccc2c1/C=N/n1c(S)nnc1CC1CCCCC1 1874560651 ISMPJEYYSUKSMH-WSDLNYQXSA-N 445.386 5.193 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(S)n1/N=C/c1cccc(OCc2ccccc2Cl)c1 1874561392 PRNUCGROVOSDLX-AEIQVQRHSA-N 448.979 5.833 30 10 IKEE Cc1ccc(COc2cccc(/C=N/n3c(S)nnc3Cc3ccc(F)cc3)c2)cc1 1874561939 SISXEYTWWBYFOJ-CVKSISIWSA-N 432.524 5.066 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(Cl)cc(OC)c1OCc1cccc(F)c1 1874581512 RBMBXIOXBRHDTN-CMDGGOBGSA-N 440.898 6.280 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1cccc(Br)c1 1874609859 OBFUJQOSHSWLCO-MDWZMJQESA-N 427.725 6.578 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3cccc(F)c3)c(OC)c2)cc1 1874614028 ZQUNOLMYIKYXGD-MDWZMJQESA-N 436.479 5.717 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3cccc(F)c3)c(OC)c2)cc1F 1874621756 SGSZETRBZLLRPB-VQHVLOKHSA-N 440.442 5.466 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc(Cl)c1OCC(=O)OC 1874637987 CGDACWITEPKOTG-QPJJXVBHSA-N 443.710 5.493 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(F)c1 1874668438 GWNJNLCFGOUFJB-XMMPIXPASA-N 437.559 5.125 30 10 IKEE COc1ccccc1CCC(=O)Oc1cccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1 1874692562 NDQMCFMCRYZYNI-WYMLVPIESA-N 431.444 5.038 30 10 IKEE CCOc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c(OC)c3)c2)cc1 1874694033 IQEXBCHWWDSZDH-GXDHUFHOSA-N 446.499 5.147 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3c(C)cccc3C)c2)cc1 1874696292 QKZCOPVYOYASKH-OBGWFSINSA-N 442.555 6.527 30 10 IKEE COc1ccc(OCC(=O)Oc2cc(/C=C/C(=O)c3ccc(C)cc3C)ccc2OC)cc1 1874701213 HFNGFRVWJCMYJT-AWNIVKPZSA-N 446.499 5.201 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)CCc3ccccc3C)c2)cc1F 1874706971 IROJTBPPANZATB-XYOKQWHBSA-N 448.490 5.586 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc(C)cc3)c2)cc1C(C)C 1874710674 HPJIFKJMIGPOKS-SDNWHVSQSA-N 428.528 6.551 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccccc2[N+](=O)[O-])c1)c1cc(Cl)ccc1Cl 1874719082 ZTKRNEHRFLNRGC-DHZHZOJOSA-N 442.254 6.017 30 10 IKEE CCCCCCCCC(=O)NCc1nn2c(C3CCC(CCCC)CC3)nnc2s1 1874767644 DXHUZXCBZJOXOT-UHFFFAOYSA-N 433.666 6.017 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OC(=O)C(F)(F)F 1875088622 XSKXIOYPKQUJTP-VOTSOKGWSA-N 443.761 5.011 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2cccc(OC)c2)cc1OC 1875101769 QASRKNWWVAYQLG-OUKQBFOZSA-N 430.928 6.129 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)c1ccccc1C 1875112000 VFHVOJLBBKKTTG-VAWYXSNFSA-N 441.310 6.426 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3Cl)cc2[N+](=O)[O-])cc1 1875113809 ZGCIVBJWCAFTQR-WUXMJOGZSA-N 437.835 5.372 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)c1ccc(C)cc1 1875120295 MGFLHOWSSOFSLE-BJMVGYQFSA-N 442.845 6.051 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)CCCOc1ccccc1C 1875129095 KQWXITSDUCHZLJ-JQIJEIRASA-N 430.500 5.664 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Br)c1OC(=O)C(C)C 1875137103 WBVYGJIIRBAOLY-DHZHZOJOSA-N 431.326 5.614 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cncc(C)c3)c(OC)c2)cc1 1875138714 DNHSPASWXHLCLV-VZUCSPMQSA-N 431.488 5.303 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)c1ccc(N(C)C)cc1 1875140045 NDYGVDYKVQSODZ-RIYZIHGNSA-N 429.516 5.493 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1cc(C)cc(C)c1 1875145709 UUMWLBHBIRPUPM-CSKARUKUSA-N 444.527 6.134 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc(OC)c1OC(=O)c1ccccn1 1875153518 KTJKKGCGJODYCS-PKNBQFBNSA-N 447.462 5.082 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3)c(OC)c2)c1 1875172628 FMOOHLWISMULEI-SDNWHVSQSA-N 446.499 5.608 30 10 IKEE CCCCCCCCCCNC(=O)c1cc2c(=O)n3ccccc3nc2n1Cc1ccco1 1875234782 ALWFYXXPGTYQFL-UHFFFAOYSA-N 448.567 5.161 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1(C)C 1880059624 ROWPGDDWFMMSBE-KOSHJBKYSA-N 429.561 5.009 30 10 IKEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)Nc3ccc(OCc4ccccc4)cc3)n[nH]2)c1C 1892392640 JELHSCBOOTXSLG-UHFFFAOYSA-N 441.535 5.297 30 10 IKEE CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 1912177437 DYLOBGUKOGMKTO-DLBZAZTESA-N 438.573 5.003 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](O)c1cccc(NC(=O)OC(C)(C)C)c1 1922056866 GLFGQTRABIHCAH-DNQXCXABSA-N 440.584 5.208 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CC[C@@H](CCC)CCNC(=O)OC(C)(C)C)NCCC 1922078313 VSYJPQDEXYIYOE-ILBGXUMGSA-N 446.676 6.239 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 1944736438 NKHDNYMAWHNSTH-RBUKOAKNSA-N 433.524 5.249 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C12CCC2 2015373919 UEFWHPNOLNLFPY-HSZRJFAPSA-N 447.963 5.517 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(Cl)cc1)c1ccc(F)c(F)c1 2033814319 ONEWXQUXISHYGD-LJQANCHMSA-N 445.874 5.458 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)[C@@H]1C1CC1 2067978210 CACRAWOJWJZKGI-CYFREDJKSA-N 445.535 5.249 30 10 IKEE CC(C)(C)c1nn([C@@H](c2ccc(C(F)(F)F)cc2F)C(C)(C)C)c(Cl)c1C=NO 2079950874 KXORPIJXKCVGNQ-INIZCTEOSA-N 433.877 6.436 30 10 IKEE CC[C@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)(F)F)c(C#N)c1Br 2079969664 HDTRULBWVSOZPL-LLVKDONJSA-N 444.148 5.693 30 10 IKEE CCOc1ccc([C@@H](n2nc(C(F)(F)F)c(C#N)c2Br)C2(C)CC2)cc1 2080107491 OOPAZECSURINLR-OAHLLOKOSA-N 428.252 5.324 30 10 IKEE FC(F)(F)c1ccc(-c2c(C(F)(F)F)nn(C(F)(F)F)c2Br)cc1 2080716529 UBXYPKJMNPPACD-UHFFFAOYSA-N 427.064 5.827 30 10 IKEE C=CCC1([C@@H](NC)c2ccc(Cl)c(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2097187065 VFXKJTSGGXVTQH-INIZCTEOSA-N 447.776 5.315 30 10 IKEE CCCN[C@@]1(C#N)C[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)CC(C)(C)C1 2127194159 ZMDSATGXNADVCV-YTMVLYRLSA-N 446.683 5.461 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H](CNc1ccc(C#N)c(Br)c1F)C2 2162291978 STSRCWFPMXKTFS-XMQYKBBCSA-N 438.341 5.050 30 10 IKEE CC(C)(C)OC(=O)NCCCN(c1cccc(Br)c1)[C@H]1CCCC[C@@H]1C#N 2174566033 SNCNJHBRXJAQEI-APWZRJJASA-N 436.394 5.253 30 10 IKEE COc1cc(Nc2cc(Br)cc(C#N)c2)ccc1CNC(=O)OC(C)(C)C 2192918930 ODWPELZSCOGAEP-UHFFFAOYSA-N 432.318 5.098 30 10 IKEE N#Cc1ccc(Oc2c(Cl)cc(Br)cc2Cl)c(F)c1Br 2202927672 OORVRHMLTBMOMM-UHFFFAOYSA-N 439.893 6.321 30 10 IKEE O=C(C#Cc1ccccc1Br)c1cc(Br)ccc1Br 2227505232 KSSUMHHBCWCRQW-UHFFFAOYSA-N 442.932 5.209 30 10 IKEE C=CCCCCC[C@@H](O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2229106951 CVCILOLUIQKTQA-RBUKOAKNSA-N 426.395 5.382 30 10 IKEE C=CCCCCC[C@@H](NC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237429239 ZLKUUOSWIWVNKZ-WOJBJXKFSA-N 439.438 5.609 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCC[C@]1(C)CNC(=O)OC(C)(C)C 2258853780 FOIGHBGHBRSJQH-JWQCQUIFSA-N 443.588 5.714 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](O)c1sc(Cl)cc1Br 2259957549 HTXPCQALASHCOH-ZWKOTPCHSA-N 444.822 5.339 30 10 IKEE C=CCCC1(C(=O)Nc2cc(Cl)ccc2Br)CN(C(=O)OC(C)(C)C)C1 2266308933 ZAWJDZGJTCNEIH-UHFFFAOYSA-N 443.769 5.244 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Cl)cc1[C@@H](O)C#Cc1ccc(Br)cc1 2278792375 ZWKBGNGHXHOYQJ-SFHVURJKSA-N 436.733 5.535 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(C(=O)C#Cc2ccc(Br)cc2)ccc1Cl 2278799018 AABRDDNNLGYPHI-UHFFFAOYSA-N 434.717 5.684 30 10 IKEE C=CCCC1([C@H](NC)c2ccc(Br)cc2CC)CN(C(=O)OC(C)(C)C)C1 2281059071 QGQJTKQBXJEWFT-LJQANCHMSA-N 437.422 5.475 30 10 IKEE CCN[C@@H](C#CC1CCCCC1)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2289679777 BGKCVFQZIAUUDL-IBGZPJMESA-N 435.406 6.030 30 10 IKEE C=CCN1C(=O)C(=Cc2ccccc2OC[C@@H](C)COc2ccccc2)SC1=S 2293700583 JQZSDQWCPXHKOE-KRWDZBQOSA-N 425.575 5.168 30 10 IKEE CCCCCCCCCCCCN1C(=O)C(=CC2=Cc3ccccc3OC2)SC1=S 2296712144 BFDPYDCFLVDGIG-UHFFFAOYSA-N 443.678 7.128 30 10 IKEE CC(C)(C)OC(=O)N[C@@]1(C)C[C@H]2CC[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)C1CCC1 2307591337 LTSIZLVJDPSCQN-OOADCZFESA-N 433.593 5.142 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)OC(C)(C)C 2312625749 KVYYGMHJIUZNDX-JBXUNAHCSA-N 442.644 5.696 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O)c1ccc(F)cc1 2314437076 BWCKTJUITHQHIG-UHFFFAOYSA-N 429.230 5.968 30 10 IKEE CCn1cc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CC(C)C)C4)c2cc(OC)ccc21 2322071795 OJPSLLAJZUTTDG-UHFFFAOYSA-N 446.547 5.402 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1C 2322415520 FIYCEFYHSVOFJX-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCc3cccc(Cl)c3)ccc3ccccc23)cc1F 2322708439 VBJNOFIIWROKRS-UHFFFAOYSA-N 446.905 7.116 30 10 IKEE CCN(CC)C(=O)COc1ccc2ccccc2c1C=CC(=O)c1cccc2ccccc12 2322722451 GMUAYGTUTSTTGU-UHFFFAOYSA-N 437.539 6.136 30 10 IKEE COc1ccc(OC)c(C=C2Oc3cc(OC(=O)c4cccc(Cl)c4)ccc3C2=O)c1 2322906391 LHDSQGYDICSRTP-UHFFFAOYSA-N 436.847 5.193 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1OCc1ccccc1F 2323040707 WTCPPAFYQWQPJB-UHFFFAOYSA-N 438.498 6.976 30 10 IKEE Cc1c(OC(=O)C=Cc2ccc(Cl)cc2)ccc2c1OC(=Cc1ccccc1F)C2=O 2323327236 MXFMHXHVKWZJKF-UHFFFAOYSA-N 434.850 6.023 30 10 IKEE COc1ccc(CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2C)C3=O)cc1OC 2323379157 PZOCZMVKZHUGPU-UHFFFAOYSA-N 444.483 5.085 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)ccc1OCC(=O)Nc1ccc(F)cc1 2323481634 JZDBYOQPBNGEHU-UHFFFAOYSA-N 447.506 5.700 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccccc1Cl 2323606826 BORDJAIAXGHGKJ-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE C=C(C)COc1c(Br)cc(C=CC(=O)c2ccccc2Cl)cc1OCC 2323621247 IDLGIYZYHMHJHA-UHFFFAOYSA-N 435.745 6.352 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc([N+](=O)[O-])c1OCc1cccc(C)c1 2323865046 AIRXDUWSYSFWMT-UHFFFAOYSA-N 445.515 6.394 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2OC)cc(OC)c1OCc1cccc(F)c1 2324010120 MJZAFZDVNGVFKJ-UHFFFAOYSA-N 446.518 6.355 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OCC(=O)Nc2cc(C)ccc2C)cc1 2324358618 PRXVQEAQCHJYQU-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE COc1ccc(OCCCOc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1 2324697148 BPCRCADAOABTJV-UHFFFAOYSA-N 428.484 5.716 30 10 IKEE Cc1cc(OCCOc2ccccc2F)cc2c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O2 2324857877 VVUZDCCFOVTSGO-UHFFFAOYSA-N 446.518 6.506 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OCC(=O)Nc3c(C)cccc3C(C)C)ccc2C1=O 2324989846 DLRSWUROWLHXDK-UHFFFAOYSA-N 441.527 6.061 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O 2325141705 IZRIFQINQABTNP-KRWDZBQOSA-N 447.918 5.979 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(F)c(F)c4F)ccc3C2=O)cc1 2325530431 YQTABINIWVKHBI-UHFFFAOYSA-N 439.389 5.046 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccccc1C(=O)O 2325532317 NOOKUHDINYHLSJ-UHFFFAOYSA-N 444.560 5.647 30 10 IKEE COc1ccc(C=CC(=O)c2cccc3ccccc23)cc1OC(=O)Cc1ccccc1F 2325748921 BKRHMSDINOVHKR-UHFFFAOYSA-N 440.470 6.032 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccco3)c2)c1 2325757935 ZNBQKMSEZDREOJ-UHFFFAOYSA-N 436.460 5.201 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3ccc(C)cc3C)c2)c(OC)c1 2325761351 CLWLFQYXMCHUEU-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE CSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1cccc2ccccc12 2325926399 YRGRPLSCUQUCNI-UHFFFAOYSA-N 437.366 5.389 30 10 IKEE Cc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccc(C(C)(C)C)cc2)o1 2326341694 JCRDAOOZFLNDKB-UHFFFAOYSA-N 444.604 6.242 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1ccc(N(CC)CC)cc1 2326417809 JCHAZOOMNBAMTC-UHFFFAOYSA-N 449.668 6.258 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc(Cl)cc1 2326592328 QBJFBQSDJPOCLZ-UHFFFAOYSA-N 447.007 6.420 30 10 IKEE CCCc1nnc(SCc2ccc(Br)cc2)n1N=Cc1sccc1C 2326619651 LTPJRTAYAHISSC-UHFFFAOYSA-N 435.416 5.538 30 10 IKEE CCCCc1nnc(SCc2ccc(Br)cc2)n1N=Cc1sccc1C 2326622314 XPJYUYMKKUMXAS-UHFFFAOYSA-N 449.443 5.928 30 10 IKEE CCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1cccc(C(F)(F)F)c1 2326821148 IBBLIJCXJMHKFX-UHFFFAOYSA-N 449.458 5.332 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccccc3F)n2N=Cc2ccco2)cc1 2328567890 RPDITLRWBLEZIG-UHFFFAOYSA-N 436.512 5.174 30 10 IKEE CCCOc1ccccc1C=Nn1c(Cc2ccc(Cl)cc2)nnc1SCCC 2329114594 ULPOCJWZFNZFIH-UHFFFAOYSA-N 428.989 5.695 30 10 IKEE C=C(C)CSc1nnc(COCc2ccccc2)n1N=Cc1cccc(OCCC)c1 2329339542 YFRVNOVAFYDJGP-UHFFFAOYSA-N 436.581 5.334 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccc(F)cc3)n2N=Cc2ccc(O)cc2)c1 2329842663 ZRBXBTUDQPBWGV-UHFFFAOYSA-N 446.551 5.505 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccccc3F)nnc2[C@H](C)c2ccccc2)c1 2330104962 RVMRHRPHHXBOSW-GOSISDBHSA-N 446.551 5.752 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2cccc3ccccc23)n1N=Cc1ccccn1 2330124361 WQJFAMRMGGRCOR-FQEVSTJZSA-N 449.583 6.153 30 10 IKEE Cn1cccc1C=Nn1c(Cc2cccs2)nnc1SCc1cccc(Cl)c1 2330431265 CGHJWPCVFDZCCZ-UHFFFAOYSA-N 427.986 5.097 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccccc2)n1N=Cc1ccc(Cl)cc1 2330461822 URCBDGCQOZMBSA-UHFFFAOYSA-N 432.980 6.005 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OC(=O)Cc1ccccc1F 2330674952 RGWBFFKBFCKCRQ-UHFFFAOYSA-N 440.470 6.032 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc(F)c2)c(Cl)c1)c1ccc2c(c1)CCCC2 2330683654 FZXYCQJSHFCFNL-UHFFFAOYSA-N 434.894 6.473 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cc(Cl)ccc3Cl)cc2)cc1 2330738708 IMTLIASHNKCILP-UHFFFAOYSA-N 439.338 6.600 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)CSc3ccccc3)c(Cl)c2)c1 2330783020 UJKHKQGMSZYUFH-UHFFFAOYSA-N 438.932 5.942 30 10 IKEE Cc1ccsc1C(=O)Oc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1 2330881575 ZNHTZLVLASHJAF-UHFFFAOYSA-N 427.319 5.934 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)c1cnc(C)cn1 2330899696 MEDKMZJPHUNYAP-UHFFFAOYSA-N 443.286 5.216 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(Br)c2)cc(OC)c1OC(=O)CCC 2331007387 RBJPXZTYTNMXSZ-UHFFFAOYSA-N 443.337 5.788 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 2331305396 YCJARZPLHVTKMC-UHFFFAOYSA-N 449.434 5.638 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(OCC(C)C)cc3)cc2)c1 2331315910 GWVLQYHJNYTEQC-UHFFFAOYSA-N 428.528 6.454 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(Cl)c2)c1 2331319738 DSFRJPPRNDXDDD-UHFFFAOYSA-N 435.863 5.980 30 10 IKEE CCCCc1nnc(SCC)n1N=Cc1ccc(OCc2ccccc2)c(OCC)c1 2331331525 JYZNBOBZVWVPMU-UHFFFAOYSA-N 438.597 5.593 30 10 IKEE Cc1ccsc1C=Nn1c(SCC(=O)Nc2c(C)cccc2C)nnc1C(C)(C)C 2331392345 TWQFECMHTSEDQB-UHFFFAOYSA-N 441.626 5.175 30 10 IKEE C=C(C)CSc1nnc(CCC)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2331649296 ALWRAQCGXCPBRI-UHFFFAOYSA-N 441.000 6.013 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2ccc(OC(=O)c3cccs3)cc2)cc1Cl 2331695859 VOIFBIHVJVJHMX-UHFFFAOYSA-N 428.893 5.534 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3C)c([N+](=O)[O-])c2)c(OC)c1 2331725115 RFMXSDHZHJQBBE-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1snnc1C1CC1 2336542840 BSKPKNRPTUOSEN-AWEZNQCLSA-N 435.347 5.184 30 10 IKEE CC1(C)OB(c2cc(Cl)cnc2Oc2cccc(Br)c2Cl)OC1(C)C 2339442860 JKTLCNGFJWFVAC-UHFFFAOYSA-N 444.949 5.242 30 10 IKEE C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339574607 KIOJYSXRLYFELY-ITTSFCMDSA-N 433.405 5.049 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H](Nc2cccc(Br)c2C#N)[C@H]1C(F)(F)F 2370171935 HNOJCZUETCLNEN-CABCVRRESA-N 448.283 5.063 30 10 IKEE COc1ccc(/C=C2/C(=O)c3c(Oc4ccc(OC)cc4)cccc3[C@@H]2c2ccccc2)cc1 3133474 KMGJEOONQRBYEI-QWYUUOJISA-N 448.518 6.908 30 10 IKEE C=C(C)COc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc3c(c1)c1ccccc1n3CC)N2 13642946 DDLSFWQYCHTJTL-RSDZZNSJSA-N 434.583 7.596 30 10 IKEE CCN1/C(=C/C(O)=N/S(=O)(=O)c2ccc(C)cc2)C(C)(C)c2ccc3ccccc3c21 16035799 NADAVYJJJUEDEK-CJLVFECKSA-N 434.561 5.495 30 10 IKEE COc1ccccc1[C@@H]1C2=C(C[C@H](c3ccc(F)cc3)CC2=O)Nc2nc3ccccc3n21 19629602 CHCXLECKFGUQCQ-MRDQGFSESA-N 439.490 5.600 30 10 IKEE CCc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(Cl)cc2)cc1 20881769 BGAJWVWKHKTOFM-NFQMXDRXSA-N 428.963 6.882 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(O)cc2)cc1 20882742 SBPCEQFWRGDIGQ-PIIWDFAUSA-N 440.543 6.161 30 10 IKEE Cc1ccsc1/C=C1/C(=O)c2c(Oc3ccc(Cl)cc3)cccc2[C@H]1c1ccccc1 33371956 HKTBNOQEZATRBJ-UQTDQPHJSA-N 442.967 7.914 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2c2nccs2)cc1 35420786 PAKPXSNVLRWBJL-NSDWXSQCSA-N 446.528 5.114 30 10 IKEE C=CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cccc(C)n2)cc1 39838217 LNMOLYQIOWCIMJ-XMMPIXPASA-N 438.483 5.119 30 10 IKEE CN(C)c1ccc(/C=C2\S/C(=N/c3cccnc3Cl)N(c3ccccc3)C2=O)cc1 39864064 NGRQXENZPCLJJM-PKPRBZMYSA-N 434.952 5.610 30 10 IKEE CCn1cc(/C=C2\Oc3c(cc4c(c3C)OCN(C(C)C)C4)C2=O)c2cc(OC)ccc21 41589214 SFWUDKGMQFPASR-RMORIDSASA-N 432.520 5.155 30 10 IKEE FC(F)(F)c1cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nn1-c1ccccc1 97950184 KUSQAGULABDSCR-UHFFFAOYSA-N 430.192 5.816 30 10 IKEE CCN1C(=O)C[C@@H](C(=O)Nc2ccc(F)cc2)S/C1=N\c1ccc(Cl)c(Cl)c1 100194670 CISYSCXUCXSURH-WGCOJADFSA-N 440.327 5.113 30 10 IKEE CN1C(=O)C[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)S/C1=N\c1cccc(Cl)c1 100263173 HYSJYZDKYVRAEN-ACNSNUFOSA-N 442.755 5.237 30 10 IKEE CCN1C(=O)/C(=C/c2cccc(OCc3ccc(C)cc3)c2)S/C1=N/c1nccs1 101128110 WEARCPFWTSIMOD-QJYUKRAPSA-N 435.574 5.654 30 10 IKEE CCN1C(=O)/C(=C(\C)c2ccc(OC)cc2)S/C1=N/c1nc(-c2ccccc2)cs1 101130405 ZPSJELFZYXSKBK-UTYGHKOPSA-N 435.574 5.833 30 10 IKEE Cc1c(/N=N/c2ccc(/N=N\c3ccccc3)cc2)c(O)n(C[C@H]2CCCO2)c(=O)c1C#N 101146227 XINNYRWHYYAPRU-VHXDFTALSA-N 442.479 5.744 30 10 IKEE CCCCCCCCCCCn1c(CCCCCNC(=O)C(C)C)nc2ccccc21 102164291 RMOVFEYASSBPCK-UHFFFAOYSA-N 427.677 7.052 30 10 IKEE CCCCCCCCNC(=O)c1ccc(CNC(=O)c2ccc(Br)cc2)cc1 102771970 JEGUZHVEAXGZJU-UHFFFAOYSA-N 445.401 5.469 30 10 IKEE CCCC1CCC(=Nn2c(-c3cccc([N+](=O)[O-])c3)cs/c2=N/C2CCCCC2)CC1 105611063 YYLIPENMSWBHEO-AMYCESTFSA-N 440.613 6.553 30 10 IKEE CCOc1ccccc1/C=C1/Oc2cc(OCc3ccc(C(=O)OC)cc3)ccc2C1=O 110529228 LUWOPPSVDPAFQO-ZVHZXABRSA-N 430.456 5.067 30 10 IKEE COc1cccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccccc2C)c1 169937231 VVVSKZCEIQLRTA-VWLOTQADSA-N 427.500 5.106 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@H]1c1ccc(O)cc1 169963056 MUFNXNYDWFUJEI-DEOSSOPVSA-N 443.499 5.109 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(OC(C)C)cc2)cc1 169979343 PXZXAOULZJQLEJ-DEOSSOPVSA-N 449.547 5.393 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(O)c(Cl)c2)ccc1F 170043989 YXXPVRYLMOHJHN-FQEVSTJZSA-N 429.875 5.014 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@@H]2c2ccccc2)cc1 170048304 BCTZTTRRLXHGGN-XMMPIXPASA-N 427.500 5.036 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C2CCCCC2)cc1 170114712 ZJZYMEBQKRKVAN-VWLOTQADSA-N 445.559 5.485 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccs1 170161494 VDTFPVXAVWDRJS-QHCPKHFHSA-N 425.509 5.993 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccccn2)cc1C 170170356 WNORWTURCYFMSM-XMMPIXPASA-N 442.515 5.107 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccccn1)c1cc2ccccc2o1 170173901 TVWDGYATJNQJJQ-OAQYLSRUSA-N 430.847 5.264 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccn2)cc1C(C)C 170179170 YYFYUVRFTCUCEC-DEOSSOPVSA-N 448.563 5.515 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2cccnc2)c1 170184023 FLVXYLAPINCZDJ-HSZRJFAPSA-N 446.478 5.038 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(F)cc1 170239411 DQGMAMZAJWCLNP-NRFANRHFSA-N 437.854 5.271 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@H]1c1ccc(F)cc1 170243792 ZFMSJQAXVYHOKU-HXUWFJFHSA-N 431.891 5.256 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2ccccc2)cc1 170265582 HBPGPTAFXZIHTR-NSYGIPOTSA-N 439.511 5.355 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccc2C)c1 170271406 OAAOMIZOKMMEHW-XMMPIXPASA-N 443.499 5.104 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccco1 170281841 GECNXHJKLIMFCL-IBGZPJMESA-N 445.805 5.003 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(Cl)c2)[C@H]1c1ccco1 170288497 XJKCPDHRQUMAJB-FQEVSTJZSA-N 441.842 5.172 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccco1 170295689 QSYAUPMWNBWWIR-QGZVFWFLSA-N 436.291 5.116 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2sccc2C)c1 170312487 LGPUKNVOWXCTHX-LJQANCHMSA-N 439.558 5.295 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(C(F)(F)F)cc2)c1 170345085 UPAMBIJPUALMES-HXUWFJFHSA-N 438.405 5.192 30 10 IKEE Cc1cccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2Cc2ccc(OC(C)(C)C)cc2)c1 170458243 DXFABGCBPPKHGP-DEOSSOPVSA-N 435.564 5.683 30 10 IKEE CCCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@H]2c2cccc(C)c2)cc1 170460531 PAYCABNCYWOKFJ-HSZRJFAPSA-N 435.520 5.077 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(C(C)C)cc2)[C@H]1c1ccc(OC(C)C)cc1 170473169 DDPUOPIJQJMMSI-VWLOTQADSA-N 435.564 6.112 30 10 IKEE COc1ccc(O)c(-c2cc(-c3ccc(C#N)cc3)cc(N[C@@H]3CCC[C@H](C(=O)O)C3)n2)c1 247877633 HVJHVUIODQULTQ-AZUAARDMSA-N 443.503 5.057 30 10 IKEE C=CCn1c(-c2ccc(Cl)cc2)csc1=Nc1c(C)n(C)n(-c2ccccc2)c1=O 252675029 SROGWZWKRJBQEJ-UHFFFAOYSA-N 436.968 5.086 30 10 IKEE Cc1ccc(N2Cc3ccccc3C2=NC(=O)c2ccc(-c3ccccc3)cc2)cc1Cl 254291319 KMXVVWICWBYRAB-UHFFFAOYSA-N 436.942 6.923 30 10 IKEE CCCCCOc1ccc(C=NN=c2sc3cc(C)ccc3n2Cc2ccccc2)cc1 254764792 ZZZCASQHTLXFSC-UHFFFAOYSA-N 443.616 6.563 30 10 IKEE FC(F)(F)Oc1ccccc1-c1c(C(F)(F)F)cc(C(F)(F)F)cc1C(F)(F)F 514253898 HETDYGNIZUJSSF-UHFFFAOYSA-N 442.199 7.309 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(Cl)cc2)c1OC 526489331 GXIGYIPETQXWOM-JOCHJYFZSA-N 446.890 5.286 30 10 IKEE Cc1cccc([C@@H]2C(c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)c1 526517074 PVVDMTWCCMGWTC-AREMUKBSSA-N 438.527 5.959 30 10 IKEE COc1ccc2c(c1)c([C@@H]1C(c3cccs3)=C(O)C(=O)N1c1ccccc1C#N)cn2C 526607605 ZFQNGJROHZICMQ-HSZRJFAPSA-N 441.512 5.177 30 10 IKEE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccccc2C#N)[C@@H]1c1sccc1C 526608855 ORXOVWMNPFLEKW-NRFANRHFSA-N 446.528 5.393 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(Nc3cccc(C#N)c3)=C(Sc3ccccc3)C2=O)c1 526657752 SWKIRYVRJWLRBF-UHFFFAOYSA-N 425.513 5.164 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1cccc(OC(C)C)c1 526803411 XXADRBYYZGQAIS-MYYYXRDXSA-N 426.561 5.722 30 10 IKEE CCOc1ccc2ccccc2c1/C=N\n1c(CC)nnc1SCc1ccc(C)cc1 526804011 BARHCFFYFOZJLA-QQXSKIMKSA-N 430.577 5.875 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccc(OC(C)C)c(Cl)c1 526806786 USBQMCOHVYEDNB-KSEXSDGBSA-N 435.380 5.855 30 10 IKEE Cc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccc(OCc2ccccc2)cc1 526811861 ALTGBLPBZGFAQT-YSMPRRRNSA-N 448.979 5.993 30 10 IKEE Cc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2cccc(Br)c2)cc1 586198835 YBVKQDIMLJSCPF-UHFFFAOYSA-N 441.350 5.025 30 10 IKEE Clc1cc(Br)c(N=C2NC3(CCCC3)CCS2)c(Br)c1 687319937 LKETXYVJLFZUQZ-UHFFFAOYSA-N 438.616 5.892 30 10 IKEE C=CCCCCC[C@@H](NC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 693698066 RLACOFNHMNVKPB-HSZRJFAPSA-N 429.649 5.270 30 10 IKEE COc1ccc(Br)cc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1C 698476688 NQGDDRJXSRHVSO-SFHVURJKSA-N 431.330 5.773 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@]1(C#N)CCc2cc(Br)ccc21 698885955 BTZJHUJHXBQZGP-NRFANRHFSA-N 431.305 5.695 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C#N)(N(C(=O)OC(C)(C)C)c1ccccc1F)C2 709414802 BPDBQWJHLIHQSN-IRXDYDNUSA-N 445.535 5.391 30 10 IKEE COc1ccccc1CNN=Cc1cn(Cc2ccc(Br)cc2)c2ccccc12 1084533011 BXPGPRKBHTWFKG-UHFFFAOYSA-N 448.364 5.584 30 10 IKEE CCOC(=O)C1=C(/N=C/c2c(C)c(Cl)c(C)c([N+](=O)[O-])c2O)S[C@@H]2CCCC[C@@H]12 1088682579 PEPGOIDAHCTRTG-PVYQFYGISA-N 438.933 5.070 30 10 IKEE COc1ccc(Br)cc1[C@H](C#N)OC(=O)[C@H]1[C@@H](C=C(Cl)Cl)C1(C)C 1088723975 BZVTYPJSGVSKGQ-OSAQELSMSA-N 433.129 5.157 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccc2OCc2ccc(C(=O)OC)o2)c1 1858754595 GQAGCBZLJGBFNX-UHFFFAOYSA-N 449.507 5.130 30 10 IKEE CC(C)c1ccc(-c2cc(C(=O)Nc3ccccc3C#N)nn2Cc2ccc(F)cc2)cc1 1859396260 LAIXWSITMLZAEK-UHFFFAOYSA-N 438.506 5.985 30 10 IKEE CCOC(=O)c1sc(NC(=O)c2ccc3nc(-c4cccc(C)c4)oc3c2)c(C#N)c1C 1859736319 WYBCIBHGUZTJAX-UHFFFAOYSA-N 445.500 5.474 30 10 IKEE N#Cc1ccccc1COc1ccc(NC(=O)Cc2ccc(Br)s2)cc1 1860162298 DJOASCNFMGDPJS-UHFFFAOYSA-N 427.323 5.142 30 10 IKEE COc1cc(/C=N/NC(=S)NC23CC4CC(CC(C4)C2)C3)ccc1OCc1ccccc1 1860499095 DHMTXQSIMMYRNY-JVWAILMASA-N 449.620 5.041 30 10 IKEE CCCOc1ccc(CC(=O)Nc2ccc(C(=O)Nc3ccc(C#N)cc3)cc2)cc1C 1860906978 SFEIQKUXCJZDRB-UHFFFAOYSA-N 427.504 5.089 30 10 IKEE CCCCCCCCNC(=O)[C@@H](NC(=O)COc1ccc(CCC)cc1)c1ccccc1 1861654890 BLKHHIZXWQZGEX-SANMLTNESA-N 438.612 5.352 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1c(Cl)cccc1Cl 1862416425 OHWRXAUCBSIJIZ-YPMLDQLKSA-N 440.273 5.648 30 10 IKEE O=C(C1=C(O)C(=O)N(C23CC4CC(CC(C4)C2)C3)[C@@H]1c1ccccc1)c1ccccc1Cl 1862429442 MYBDYIHEXVGAFK-RXCMBHOCSA-N 447.962 5.887 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc(OC)c1 1862474760 ULGOMTCNRIJECV-QPPBQGQZSA-N 435.564 5.941 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)ccc1F 1862503362 WEFJYBFANYOFHZ-QMHKHESXSA-N 449.909 6.127 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2cccc(Cl)c2)ccc1F 1862503429 XJEABYQCHBMUAV-MWTRTKDXSA-N 449.909 6.127 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)cc3)=C(O)C(=O)N2CC)cc1 1862521147 AHWAINPOYHHXHN-QHCPKHFHSA-N 437.536 5.253 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(OC)cc3)[C@@H]2c2ccc(C)cc2)cc1 1862534829 XUQIYBUQQQDOQD-RUZDIDTESA-N 441.527 5.345 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccc(Cl)c2)cc1 1862535892 MFKZMQJFUZDMPL-NRFANRHFSA-N 437.948 5.742 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2CCCC)cc1 1862540641 SBFNVRUBIXUBPT-VWLOTQADSA-N 449.591 6.196 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C2CCCCC2)cc1 1862617891 ZLDXRTCKOPBRAI-VWLOTQADSA-N 445.603 6.458 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccccc2C)cc1F 1862638453 BEANWGZXMAEFBK-XDHUDOTRSA-N 445.490 5.482 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(N(C)C)cc1 1862651059 KKACYAMMRJXDEL-VWLOTQADSA-N 442.559 5.530 30 10 IKEE O=C(O)c1ccccc1[C@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1C1CCCC1 1862651987 ZICROYMNPONHLW-QHCPKHFHSA-N 441.483 5.059 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCC(C)C)cc1O 1862665627 LGJMLXNFHNYDJY-QHCPKHFHSA-N 437.536 5.149 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccc(F)cc1F)c1ccc(F)cc1 1862675942 XCNVDWOEDRMJDQ-NRFANRHFSA-N 429.438 5.405 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(F)cc1F 1862712737 YKTYYPIFAFEERD-XMMPIXPASA-N 449.497 6.277 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862713578 REVVTHIGFNFYOM-AREMUKBSSA-N 439.555 6.449 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccccc3C(C)(C)C)C2=O)cc1C 1862886156 ZOTTYVOUVFGDGB-UHFFFAOYSA-N 449.554 5.869 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(C)c(C)c3)C2=O)cc1 1863253359 FTUSXSQVAZPRJG-FQEVSTJZSA-N 449.554 5.691 30 10 IKEE C=CCN1C(=O)C(Nc2cccc(Cl)c2Cl)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863286869 URCJNIRWUDJCGV-UHFFFAOYSA-N 442.129 5.678 30 10 IKEE CCCCCCCCNC1=C(c2ccc(Cl)cc2)C(=O)N([C@H](C)c2ccccc2)C1=O 1863534972 PQIDZLJLLOXBHS-LJQANCHMSA-N 438.999 6.131 30 10 IKEE C=CCN(CC=C)c1cc(N(CCCC)CCCC)nc(-c2ccc(C(C)(C)C)cc2)n1 1867997650 HDLGNJYPJJJYNM-UHFFFAOYSA-N 434.672 7.026 30 10 IKEE CC(C)(C)c1cccc(-n2nnc(C#N)c2NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)c1 1870142787 VSDRRBRBKLXYDQ-CSKARUKUSA-N 440.334 5.395 30 10 IKEE CCCCCCCCn1cc(OCCOc2cccc(C)c2)c(=O)cc1CSCCO 1870218138 PGRXJBCRQOBYIH-UHFFFAOYSA-N 447.641 5.201 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(F)cc2)c(CN2C[C@H](C)C[C@@H](C)C2)cc1=O 1870410678 AUHYIFOSKRIILU-FGZHOGPDSA-N 442.619 5.863 30 10 IKEE CCCCCCCCn1cc(OCC)c(=O)cc1CNc1ccc(Oc2ccccc2)cc1 1870784612 WZAGZRXZGUBTFN-UHFFFAOYSA-N 448.607 7.012 30 10 IKEE Cc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2Cc2ccccc2)c(C)c1 1871252376 XUKPEXFHCZXCDT-UHFFFAOYSA-N 449.554 5.576 30 10 IKEE Cc1c(OC(=O)/C=C/c2ccc(F)cc2)ccc2c1O/C(=C\C=C\c1ccccc1)C2=O 1871366138 UGIXYVHNXQWNOZ-FGPSWBBPSA-N 426.443 5.925 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc([N+](=O)[O-])c(C)c4)ccc3C2=O)cc1 1871373818 VDWNWKUCEVGDIN-QRVIBDJDSA-N 429.428 5.301 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccc(F)cc4)cc(C)c3C2=O)cc1 1871400678 IFBSHOYRLJVSKY-SUVVMJBMSA-N 431.463 5.465 30 10 IKEE CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccc(C)o1)C2=O 1871402484 JJGBAYROSGUBCQ-PGECNJAHSA-N 447.487 5.317 30 10 IKEE Cc1c(OCCCCOc2ccccc2)ccc2c1O/C(=C\c1ccc3c(c1)OCO3)C2=O 1871403218 GKQOAUZTFRTLTJ-XYGWBWBKSA-N 444.483 5.578 30 10 IKEE COc1ccc(OCCCOc2ccc3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)cc1 1871415570 JBUFWHLSJZZWJD-ONUIUJJFSA-N 445.515 5.225 30 10 IKEE CCOCCOC(=O)CCOc1ccc2c(c1C)O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871428741 QHZRFYMBHIKXDX-KQWNVCNZSA-N 438.520 5.083 30 10 IKEE CC(=O)c1cccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2C)C3=O)c1 1871438571 FWYSQOIPJTZDBU-CFRMEGHHSA-N 441.483 5.140 30 10 IKEE COc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1Cl 1871453032 BYPCESXRCMKLIZ-KSEXSDGBSA-N 449.890 5.291 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3cc(Cl)ccc3C)ccc2C1=O 1871457373 BYEWIEXSEHPDSU-KSEXSDGBSA-N 449.890 5.291 30 10 IKEE Cc1c(OCC(=O)Nc2ccccc2)ccc2c1O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871459954 MYUUIZSJKVCWFF-IWIPYMOSSA-N 427.500 5.752 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1C)[C@@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1872440848 HGUFJDRQKHUNPC-HTAPYJJXSA-N 449.016 5.269 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3Br)n2)cc1C 1872765873 YNCWKCQLLQSKBH-OAHLLOKOSA-N 427.323 5.380 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@H](C#N)C(=O)c3ccc(-n4cccc4)cc3)n2)c1C 1872780859 MRQGAORVRDLQAZ-JOCHJYFZSA-N 425.557 6.325 30 10 IKEE CC(=O)Nc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1 1872786156 ZSUSKGRJMAXLSA-JOCHJYFZSA-N 445.588 5.793 30 10 IKEE C=CCc1ccccc1OCc1cccc(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)c1 1872834392 UTJMQGCKJNPVAT-UHFFFAOYSA-N 429.516 5.812 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2cccs2)=C(c2cccnc2)C1=O 1873075237 BLCQTOOIAOBOHA-UHFFFAOYSA-N 425.598 5.154 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc3ccccc23)=C(c2cccnc2)C1=O 1873269181 OEPJBRMKMHXYSW-UHFFFAOYSA-N 427.548 5.787 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)c(F)c2)=C(c2ccccc2C)C1=O 1873305634 NLZIYUMVMMMGDY-UHFFFAOYSA-N 426.507 5.826 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cc(C)cc(C)c2)=C(c2ccccc2)C1=O 1873412952 DWMFCFFFNHZQBX-UHFFFAOYSA-N 432.608 6.636 30 10 IKEE C=CCn1c(C(=O)NCCCCCCCC)cc2c(N(CCC)CCCC)ncnc21 1873593787 HQVXTDGIQXVRDP-UHFFFAOYSA-N 427.637 5.724 30 10 IKEE CCCSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1cccc(F)c1 1874206820 VKZXOYSEHWATOB-FOKLQQMPSA-N 439.343 5.687 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccc(C)cc3)n2/N=C/c2cccn2C)CC1 1874286038 MCAISBHJQIJZBX-OVVQPSECSA-N 449.668 6.564 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2ccccc2F)n1/N=C/c1cccn1C 1874300534 KQTZYJRPIALUPD-VULFUBBASA-N 449.555 5.126 30 10 IKEE Cc1ccccc1CSc1nnc(CCCOc2ccccc2)n1/N=C/c1ccc[nH]1 1874316500 WLDCURJKQXYMTD-YZSQISJMSA-N 431.565 5.101 30 10 IKEE Cc1ccc(OCc2nnc(SCc3cccc(F)c3)n2/N=C/c2cccnc2)c(C)c1 1874327341 JBCRTWMTCSRWTR-MZJWZYIUSA-N 447.539 5.183 30 10 IKEE CCCSc1nnc(CCc2cccs2)n1/N=C/c1ccc(OCC)c(OCC)c1 1874372079 HMDCKKDXEFNAPN-XQNSMLJCSA-N 444.626 5.307 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2)n1/N=C/c1ccc(Cl)cc1Cl 1874402683 IYZYQQXKFWNZSC-ZMOGYAJESA-N 431.392 5.921 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2cccc(C)c2)nnc1-c1cccs1 1874422013 PIKWEUJPKFAWQG-PCLIKHOPSA-N 446.601 6.054 30 10 IKEE Fc1cccc(CSc2nnc(C3CCCC3)n2/N=C/c2cccc3ccccc23)c1 1874455008 WIVDEQYNTBEWAT-JVWAILMASA-N 430.552 6.403 30 10 IKEE Cc1ccccc1/C=N/n1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccco1 1874465213 XUSKEFAYVYHDRO-AFUMVMLFSA-N 445.548 5.076 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)NC2CCCCC2)cc1 1874578122 XKZVZEBJTMYSAD-GXDHUFHOSA-N 441.955 5.463 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c1OCC(=O)NC1CCCCC1 1874583112 WZYVBGUDAFNLPK-OBGWFSINSA-N 449.591 5.717 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccccc2Cl)cc1 1874583735 DFIDJCCPJOXJFD-ACCUITESSA-N 425.355 7.592 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2cccc(OCc3ccccc3F)c2)cc1 1874598172 YFJQIPUCAOUSGF-XMHGGMMESA-N 446.562 7.650 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(Br)c1OCC 1874603016 GVEGEMNDHYTTFM-FMIVXFBMSA-N 425.322 6.296 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(Cl)c1OCC(=O)OCC(C)C 1874609440 RGFBXUHWYWLMKD-IZZDOVSWSA-N 446.927 5.221 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 1874610641 COWLXFNIGZXBJL-VZUCSPMQSA-N 438.823 5.632 30 10 IKEE CCOc1c(Br)cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1OC 1874615761 POSLKPVIAHLLPA-QPJJXVBHSA-N 430.125 6.059 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OCC(=O)Nc1ccccc1F 1874617761 RVDRKNFRCQBVGJ-FMIVXFBMSA-N 433.479 5.365 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1Cl 1874619844 WDDXNKFETMSRDP-CSKARUKUSA-N 443.971 5.581 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OCC(=O)Nc1ccc(C)cc1 1874624993 GYHJWCPZABZRPV-AWNIVKPZSA-N 449.478 5.065 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc(OC)c1OCc1ccccc1C 1874629409 BBLDVFUZEIRSKA-VAWYXSNFSA-N 446.543 6.113 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)ccc1OCc1cccc(C)c1 1874633962 DPNYGXXIJPKAJV-CSKARUKUSA-N 436.935 6.449 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3cccc(/C=C/C(=O)c4ccc5c(c4)OCO5)c3)c(C)c2c1 1874707433 FLWAURZZSSBOLE-JXMROGBWSA-N 439.467 5.629 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1OC(=O)c1ccccc1C 1874711133 QQWSULSQYPWPKI-ZRDIBKRKSA-N 430.500 5.744 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccccc2OCC)CSc2nnc(C(C)C)n21 1874854612 KEPOQVYROCXRJL-HXUWFJFHSA-N 444.645 5.862 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(C)c(C)c1 1875094719 GFLPQJAVXYTOLN-DHZHZOJOSA-N 431.444 5.336 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3F)c(Cl)c2)c1 1875102593 YIQNISAWHCODIA-WEVVVXLNSA-N 428.818 5.742 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)c(F)c3)c(Cl)c2)c1 1875102849 QISYCJKFCVSVKA-WEVVVXLNSA-N 428.818 5.742 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc(Cl)ccc3OC)cc2)cc1C 1875107185 DZPMKDYOQYANQG-IZZDOVSWSA-N 436.891 5.781 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(C)c3)cc2OC)cc1 1875108674 AJJTVUUCPLVJKX-AWNIVKPZSA-N 446.499 5.526 30 10 IKEE C[C@H](C(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1[N+](=O)[O-])c1ccccc1 1875125047 NYILJYNDWVDIKZ-USYSOWRXSA-N 437.398 5.478 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)c1sccc1C 1875131614 GSMHVMMPXAOQRY-VQHVLOKHSA-N 436.529 5.806 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)CC(C)C)c(OC)c2)cc1 1875136561 PYVYWFVYMFIROK-IZZDOVSWSA-N 430.928 5.985 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCSC)c(Cl)c2)cc1 1875137404 KNGSYMOOMDHWGQ-WUXMJOGZSA-N 432.969 6.074 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccccc1 1875149533 VEVUDKSBXLMBNE-GZTJUZNOSA-N 428.528 6.498 30 10 IKEE CCCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1OC 1875184469 XZLFCPRQCFUJCO-WYMLVPIESA-N 438.564 6.301 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)C(F)(F)F)c([N+](=O)[O-])c1 1875184482 YGAOUPJPVALORP-RMKNXTFCSA-N 435.398 5.565 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(F)c3)c(Cl)c2)cc1Cl 1875188762 INMGEWFTSVQBQK-VMPITWQZSA-N 445.273 6.256 30 10 IKEE CC(C)N(C(=O)OC(C)(C)C)[C@]1(C#N)[C@@H](CNC(=O)OC(C)(C)C)CCCC12CCC2 1924819345 VCRGTWGTDCHLCR-HOYKHHGWSA-N 435.609 5.389 30 10 IKEE CC[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)CN1Cc1ccccc1 1942589396 JKKAUXKYWLVXOK-PXDATVDWSA-N 439.987 6.028 30 10 IKEE CCC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 1945772206 HLUIFNMBXSHKKK-LPHOPBHVSA-N 435.540 5.400 30 10 IKEE C=C1CCC(C[C@H](NCCC)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)CC1 1946537172 BRGJZWPIOQAVHG-ZEQRLZLVSA-N 430.633 5.601 30 10 IKEE CCCCCCCC[C@@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)NCC 1947471947 YKCCZYOSBKGZMV-DEOSSOPVSA-N 433.681 5.742 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1C[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1(C)C 1953337659 YBFMOADHUPFGIU-KBMIEXCESA-N 443.588 5.257 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1982205629 OOSUKHORBAHQQT-QRQCRPRQSA-N 435.952 5.279 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H]1C[C@H]2CC[C@H]1CN(C(=O)OC(C)(C)C)C2 2005309141 DLLXNLKHUQZJGN-QPXUXIHVSA-N 428.617 5.021 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C12CCC2 2015371093 DHVVNKPCPCDDGL-XMMPIXPASA-N 433.593 5.382 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@H](C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2021498521 WAJGHWUJOHEOIC-RTBURBONSA-N 435.609 5.484 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CC[C@@H](CCNC(=O)OC(C)(C)C)C1 2037231033 IPHCWQRZWWNKLD-UQBPGWFLSA-N 443.588 5.714 30 10 IKEE C=CCN(C[C@H](NCC)c1c(Br)ccc(Cl)c1F)C(=O)OC(C)(C)C 2037658400 ARAKPTBNWQLWRP-AWEZNQCLSA-N 435.765 5.315 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(Cl)cccc1Br 2041204084 JGXWGWFLCQLUAG-WBVHZDCISA-N 429.786 5.060 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(C)C 2051305464 KGXCXPLWCNOGLO-SDHSZQHLSA-N 444.660 5.657 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1CC[C@](F)(CNC(=O)OC(C)(C)C)CC1 2058305330 VUKTWLWAWDSZRN-PLXFJCCSSA-N 448.623 5.551 30 10 IKEE C=CCC[C@@H](NCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071348057 GDYZZHWWRKOHQW-NAKRPHOHSA-N 431.576 5.822 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)cc1 2077947221 DYYRZLCJFCIQGR-VQTJNVASSA-N 443.588 5.664 30 10 IKEE CC(C)[C@@H](c1ccc(C2CC2)cc1)n1nc(C2CCC2)c(C#N)c1I 2079036346 UMJUWLWHYIFEEH-FQEVSTJZSA-N 445.348 5.750 30 10 IKEE CCCc1ccc([C@H](CC)n2nc(C(C)(C)C)c(C#N)c2I)cc1 2079880212 CRKNHBXWYQIHDQ-KRWDZBQOSA-N 435.353 5.609 30 10 IKEE CC[C@@H](c1c(C)cc(C)cc1C)n1nc(C2CC2)c(C=NO)c1I 2080012187 LPOUFKVALOMSDF-INIZCTEOSA-N 437.325 5.098 30 10 IKEE Cc1c(F)cccc1-c1c(C(F)(F)F)nn(C(F)(F)F)c1I 2080921089 SZIXAHJPOVNTGO-UHFFFAOYSA-N 438.084 5.097 30 10 IKEE CC(C)c1cc(C(F)(F)F)ccc1-c1cc(=O)n2nc(C3CCCCC3)c(C#N)c2[nH]1 2081005915 CZWYDTYQZQXAAF-UHFFFAOYSA-N 428.458 5.751 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(C)c1Br)NCC 2087873849 AFIHNMCXKSQXSG-MSOLQXFVSA-N 425.411 5.138 30 10 IKEE Cc1c(Cl)cc(C(=O)N2CCC[C@H](B3OC(C)(C)C(C)(C)O3)C2)cc1Br 2167376646 KMFCTMJGOKKUTQ-AWEZNQCLSA-N 442.590 5.109 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCCN1c1ccc(C#N)c(Br)c1 2174812498 LMFYVHIRAFPEIR-OALUTQOASA-N 434.378 5.079 30 10 IKEE Cc1cccc(NC(=O)c2ccc(Br)c(NC(=O)OC(C)(C)C)c2)c1C#N 2181056085 POBCCJHACUAJFC-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE CCCCCC#CC[C@H](NCC)c1cc(Br)ccc1I 2203807128 KMCJSLPFLCVQAV-KRWDZBQOSA-N 448.186 5.678 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C1 2214836266 JCDMQFBVORLFSN-LLJLJFOGSA-N 429.561 5.356 30 10 IKEE O=C(C1=CCCCCC1)c1sc(Br)c(Br)c1Br 2216395290 OSHXJOJMOHUPNT-UHFFFAOYSA-N 442.998 6.109 30 10 IKEE C=CCC1([C@@H](NC)c2sc(C)c(C)c2Br)CN(C(=O)OC(C)(C)C)C1 2221818827 VJRVULHJKMQDPQ-INIZCTEOSA-N 429.424 5.201 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C(=O)C#Cc2ccccc2Br)(C(C)(C)C)C1 2235728682 HVIOAKNPPNARLP-QFIPXVFZSA-N 434.374 5.043 30 10 IKEE C=C1C[C@H]1C[C@@H](NCCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237401899 CXJHJVBVRNMJIA-SXLOBPIMSA-N 437.422 5.219 30 10 IKEE C=C([C@H](NCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)C(C)(C)C 2237422766 APIUYYHBUGNIOY-OALUTQOASA-N 439.438 5.465 30 10 IKEE C=CCCC1([C@@H](C[C@H](C)COCc2ccccc2)NCC)CN(C(=O)OC(C)(C)C)C1 2247410379 CYMJYWKEECUJKH-JTHBVZDNSA-N 430.633 5.411 30 10 IKEE C=C(C)CCCC[C@@H](O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2250187932 KDXVPHMFMPFMSQ-HSZRJFAPSA-N 430.633 5.433 30 10 IKEE CC1(C)CC[C@@H](Nc2c(Br)cccc2C#N)[C@@H](CNC(=O)OC(C)(C)C)C1 2285178462 FPWMYEAWXDDNOQ-NVXWUHKLSA-N 436.394 5.452 30 10 IKEE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)C=Cc3ccc4c(c3)OCO4)cc2)cc1 2295934396 PTJPHWXNWPBHDJ-UHFFFAOYSA-N 427.500 5.861 30 10 IKEE CC(C)(C)OC(=O)NC1CCC(CC[C@H](O)C#Cc2cccc(Br)c2)CC1 2296229826 NJMROZVSNZVZPV-GQOXECLESA-N 436.390 5.025 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@](C)(CC(C)C)NC(=O)OC(C)(C)C 2296294504 VBSWHTGRXQDQNK-SIKLNZKXSA-N 437.422 5.108 30 10 IKEE CCCCOc1ccc(C(=O)C(=Cc2ccccc2OC)c2nc3ccccc3o2)cc1 2296696641 CZRQXRRGBHIJGR-UHFFFAOYSA-N 427.500 6.439 30 10 IKEE C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=NO)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 2297475075 IBHLVHLIYYDTRV-FBJARBBYSA-N 439.728 8.494 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1ccc(NC(=O)OC(C)(C)C)cc1Cl 2299438367 HPPXPUJIDKLVHM-HSZRJFAPSA-N 445.003 6.501 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@@]1(C#N)C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 2310843367 ARQPHMFWARCBCW-KKPNIWNPSA-N 436.527 5.845 30 10 IKEE C[C@@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@]43C)[C@H]1CCC2=NN=CC=Cc1ccc([N+](=O)[O-])cc1 2313652953 PZDUXRAQOKZFJJ-YCWBTHGBSA-N 447.623 7.468 30 10 IKEE Cc1occc1C(=O)Nc1ccc(C(=O)C=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 2314522831 ADXFBSAXFLWCSS-UHFFFAOYSA-N 442.427 5.905 30 10 IKEE CCN1C(=O)C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=Nc1ccccn1 2314540941 BRVXUQNYRRAPAQ-UHFFFAOYSA-N 444.343 6.272 30 10 IKEE Cc1nnc(N=C2SC(=Cc3ccc(Br)o3)C(=O)N2c2ccccc2)s1 2314548431 SXBIKZPMGUHGKA-UHFFFAOYSA-N 447.339 5.011 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCC(=O)N[C@H](C)c3ccccc3)nnc2C2CC2)cc1 2320895018 DHLFRVZBBMHHSB-GOSISDBHSA-N 447.608 5.131 30 10 IKEE CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C=CC(=O)c1cccc(OC)c1 2320940822 RGDCLBPZCHESAE-UHFFFAOYSA-N 449.528 5.286 30 10 IKEE CCSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1N=Cc1cccs1 2321359142 NDZDHWBQOWYEKK-UHFFFAOYSA-N 441.409 5.652 30 10 IKEE Cc1ccccc1COc1cc(C)c2c(c1)OC(=Cc1ccc(Cl)cc1Cl)C2=O 2321742610 KSTJCOJIYQHZOW-UHFFFAOYSA-N 425.311 6.805 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCc3ccc([N+](=O)[O-])cc3)cc(C)c2C1=O 2321853770 DEYLSDHYZNJRHA-UHFFFAOYSA-N 431.444 5.497 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc3c2CN(CCCc2ccccc2)CO3)C1=O 2322214392 ABWNAVIMJLENHE-UHFFFAOYSA-N 427.500 5.096 30 10 IKEE COC(=O)c1ccc(COc2ccccc2C=CC(=O)c2ccc(-c3ccccc3)cc2)o1 2322286930 LXNDOKLGUVSVTB-UHFFFAOYSA-N 438.479 6.208 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc([N+](=O)[O-])cc1)C3=O)CN(CCC1=CCCCC1)CO2 2322377453 PBSRMTSUTWYYEH-UHFFFAOYSA-N 446.503 5.562 30 10 IKEE CCN(CC)C(=O)COc1c(C=CC(=O)c2ccc(Cl)cc2)cc(Cl)cc1OC 2322532076 CJUMBFHJQFOIGB-UHFFFAOYSA-N 436.335 5.145 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCc2ccc(C)cc2)cc1F 2322708569 SUFDHKLPKJPVSV-UHFFFAOYSA-N 440.898 6.280 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1cc(Cl)ccc1OCc1cccc(C)c1 2322931782 XZDIPQJFSARJTH-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE C=C(C)COc1c(OC)ccc(C=CC(=O)c2ccc(CCCC)cc2)c1Br 2323076237 QSMAXJABDLEKRE-UHFFFAOYSA-N 443.381 6.651 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C)cc2)C3=O)cc1OC 2323097655 CLCPXLLDPKTRLK-UHFFFAOYSA-N 444.483 5.167 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)cc1 2323154213 HLSIZYMELPGGRH-UHFFFAOYSA-N 447.487 5.867 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 2323157612 ZIXJOIRWLHMVRK-UHFFFAOYSA-N 441.354 7.257 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2cccc(OCC(=O)Nc3c(C)cccc3C)c2)c1C 2323259445 HJZVXVSYXWGXQB-UHFFFAOYSA-N 441.571 6.451 30 10 IKEE Cc1cc(OC(=O)c2ccc(Cl)c(Cl)c2)cc2c1C(=O)C(=Cc1ccccn1)O2 2323259689 QWUXSKJEDHRRMU-UHFFFAOYSA-N 426.255 5.532 30 10 IKEE COC(=O)c1ccc(COc2cccc(C=CC(=O)c3cc(C(C)(C)C)ccc3C)c2)o1 2323303393 RNZCJGFJVNENKS-UHFFFAOYSA-N 432.516 6.147 30 10 IKEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CCC(C)(C)C[C@H]1CNC(=O)OC(C)(C)C 2323467652 VEONHUJWUTXNGA-HFZDXXHNSA-N 444.616 5.239 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 2323647404 INKPAUTUTFPVOX-UHFFFAOYSA-N 445.515 5.316 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OCc1cccc2ccccc12 2323777838 XWEFKXPXEPWNTN-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OCc1cccc(Cl)c1 2323917431 AULPRBQRJWHGOY-UHFFFAOYSA-N 432.947 6.861 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O 2324335547 GCWDQYQCWDTEGJ-KRWDZBQOSA-N 445.490 5.719 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OCc2cccc(Cl)c2)c(Cl)c1 2324365911 IKELHXURMPBJLK-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE CCc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(Cl)cc3Cl)n2)cc1 2324378473 JVPZKWRDEJTUSU-GOSISDBHSA-N 427.356 6.569 30 10 IKEE CC(C)(C)c1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 2324451314 XTBGLXPSTAJSGT-HXUWFJFHSA-N 431.517 5.905 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2F)C3=O)c1 2324455576 PMRCHBUBWGAPMU-KRWDZBQOSA-N 431.463 5.465 30 10 IKEE COc1ccccc1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)OC(=Cc1cccc(C)c1)C2=O 2324473795 HFLXMNIXHOORKA-SFHVURJKSA-N 443.499 5.334 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2)c([N+](=O)[O-])c1)c1cc(Cl)ccc1Cl 2324662315 VUGYSHFKSXCURZ-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OCCOc4ccc(C(C)(C)C)cc4)c3C)C2=O)c1 2324691137 BYLHYDPOUGTPQN-UHFFFAOYSA-N 442.555 6.675 30 10 IKEE Cc1c(OCCC(=O)OCCC(C)C)ccc2c1OC(=Cc1ccc(N(C)C)cc1)C2=O 2325104107 HCRBTEGQFKRLHY-UHFFFAOYSA-N 437.536 5.035 30 10 IKEE COc1ccc(C)cc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccccc1F)C2=O 2325118922 GQHGGVKKOBWBNM-UHFFFAOYSA-N 447.462 5.085 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(O[C@H](C)C(=O)Nc3c(C)cccc3C)c2C)C1=O 2325145451 BSODBJOHTIXJJW-GOSISDBHSA-N 447.556 6.004 30 10 IKEE O=C1C(=Cc2ccccc2Cl)Oc2cc(OCc3nc(O)c4ccccc4n3)ccc21 2325200728 OCJGQDNYIPVLDY-UHFFFAOYSA-N 430.847 5.184 30 10 IKEE Fc1cccc(CSc2nnc(Cc3ccccc3)n2N=Cc2c[nH]c3ccccc23)c1 2325471674 VHPJWVGBTLYEOP-UHFFFAOYSA-N 441.535 5.664 30 10 IKEE Fc1cccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccc(Cl)cc2)c1 2325493093 IPUKAVDWEGIVCP-UHFFFAOYSA-N 436.943 5.836 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1cccc(OC)c1OC 2325564624 FCMRDJIHJGQUKR-UHFFFAOYSA-N 446.576 5.576 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1cccs1)C2=O)Nc1cc(Cl)cc(Cl)c1 2325707616 AHDUUHOQKRQHQF-UHFFFAOYSA-N 446.311 5.689 30 10 IKEE Cc1cccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)c1 2325727373 VHJIUEWERWLPMH-UHFFFAOYSA-N 441.527 6.061 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1OC(=O)c1ccc(N(C)C)cc1 2325729530 GILZJQIBYOUJLK-UHFFFAOYSA-N 435.907 5.530 30 10 IKEE Cc1cc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc(Cl)cc3)c2)ccc1Cl 2325730388 SYVWGRISZCRHHX-UHFFFAOYSA-N 441.310 6.182 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(Cl)c(Cl)c3)c2)c(C)c1 2325736108 VHOKGXJAKYWIGN-UHFFFAOYSA-N 439.338 6.654 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OC(=O)COc1cccc(C)c1C 2325737662 VOVCQDOCDYVXRI-UHFFFAOYSA-N 430.500 5.501 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cc4ccccc4n3C)c2)c(OC)c1 2325761890 MFLSWQMAIXBHSO-UHFFFAOYSA-N 441.483 5.311 30 10 IKEE CCOc1ccc(C(=O)Oc2cccc(C=CC(=O)c3cc(C(C)(C)C)ccc3C)c2)cc1 2325765654 IVSGWILHQHHSOO-UHFFFAOYSA-N 442.555 6.807 30 10 IKEE COc1cccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c4ccccc34)c2)c1 2325776565 ADNPOBGJKIUMLG-UHFFFAOYSA-N 438.479 5.972 30 10 IKEE C=CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1cccc(O)c1 2325905730 VAGRHDRYIKLGSC-UHFFFAOYSA-N 436.581 5.329 30 10 IKEE C=CCSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1cccc(C)c1 2325913595 VPALWLFMEQIXAM-UHFFFAOYSA-N 433.364 5.633 30 10 IKEE CCCOc1ccccc1C=Nn1c(Cc2ccc(Br)cc2)nnc1SC 2325925383 YECKPLKNRFHBIW-UHFFFAOYSA-N 445.386 5.024 30 10 IKEE CSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1ccc(C(C)C)cc1 2325926372 PMGWOFRWAUJJFO-UHFFFAOYSA-N 429.387 5.359 30 10 IKEE CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1cccc(OC)c1 2326121465 XQHFQRNWNCRDMY-UHFFFAOYSA-N 430.961 5.130 30 10 IKEE CCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1cc(Cl)c(OC)c(Cl)c1 2326442557 ZVSGWWWPGKIODQ-UHFFFAOYSA-N 449.407 5.947 30 10 IKEE CCCCC1CCC(c2nnc(SCCc3ccccc3)n2N=Cc2cccn2C)CC1 2328173524 QZQVQJROMVXOEI-UHFFFAOYSA-N 449.668 6.298 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2N=Cc2cc(OC)ccc2OC)CC1 2328189812 VVUBVBUCMGAHGW-UHFFFAOYSA-N 444.645 6.144 30 10 IKEE Cc1ccc(CSc2nnc(COc3cccc(C)c3C)n2N=Cc2ccco2)cc1 2328818710 SMWWYZLUOCFEJM-UHFFFAOYSA-N 432.549 5.550 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(F)cc2)n1N=Cc1ccc(C(F)(F)F)cc1 2329835401 JOIONUTYQTUHOQ-UHFFFAOYSA-N 434.462 5.577 30 10 IKEE COc1cccc(C=Nn2c(Cc3ccc(C)cc3)nnc2SCc2ccccc2F)c1 2329995174 OBTANJPPIQPKAG-UHFFFAOYSA-N 446.551 5.500 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2)n1N=Cc1ccccc1Cl 2330109098 DUIMLRMOQNRLDM-GOSISDBHSA-N 432.980 6.258 30 10 IKEE C(=Nn1c(CC2CCCCC2)nnc1SCc1cccc2ccccc12)c1ccccc1 2330279452 JZVRBXQXGLDZEU-UHFFFAOYSA-N 440.616 6.729 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc4ccccc4c3)cc2)cc1 2330651507 HIBZBAYTXBUFKI-UHFFFAOYSA-N 436.507 6.283 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)cc2F)c(Cl)c1)c1ccc2ccccc2c1 2330663794 VHVBKNAGHRRMIT-UHFFFAOYSA-N 448.852 6.887 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)COCCOC)c(Cl)c2)cc1 2330833037 JWWZTPAGPYMDGS-UHFFFAOYSA-N 430.928 5.147 30 10 IKEE O=C(COc1cc(F)ccc1F)Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1 2330911139 HJENNHSVDOOYSQ-UHFFFAOYSA-N 428.818 5.499 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1OCC 2330944041 AQIGQSKQRSSMQT-UHFFFAOYSA-N 442.983 7.291 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)c(F)c3)c(Cl)c2)cc1 2330961713 YEMLSIWZOYFSJR-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE Fc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2[C@H]2CCCO2)cc1 2330979643 MNTUCPDKVGSBBO-JOCHJYFZSA-N 432.524 5.596 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC(=O)c1ccccc1 2331046394 PCHNCLQQQPDBFL-UHFFFAOYSA-N 443.455 5.447 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(OC)ccc2OC)ccc1OC(=O)c1cccs1 2331392196 AVFXQJDMMGZCBJ-UHFFFAOYSA-N 438.501 5.279 30 10 IKEE CC(C)Cc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1c[nH]c2ccccc12 2331477352 KYQCEUNWXIXCLF-UHFFFAOYSA-N 441.963 5.925 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2ccc(C(C)C)cc2)cc1C 2331673822 MPKVSDYWVKPGGW-UHFFFAOYSA-N 449.624 5.755 30 10 IKEE CC(C)c1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc2c(c1)OCCO2 2331715327 NEMLLTHRPSMORU-UHFFFAOYSA-N 446.935 5.140 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CC3CCCCC3)c(Cl)c2)cc1Cl 2331818976 SQQYFMADUWQDCQ-UHFFFAOYSA-N 447.358 6.774 30 10 IKEE COc1ccc2ccccc2c1C=NNc1oc(Cc2cccc3ccccc23)nc1C#N 2331932626 HJCQVFURXGTWGZ-UHFFFAOYSA-N 432.483 5.898 30 10 IKEE Cc1ccccc1-c1ccc(-n2nnc(C#N)c2NC(=O)C=Cc2ccc(C(C)C)cc2)cc1 2332187102 AZKJHTMJEBMDFJ-UHFFFAOYSA-N 447.542 5.890 30 10 IKEE C[C@@H]1C[C@@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN(Cc2ccccc2)C1 2339534325 DXCMFJGPQZDSQP-NFBKMPQASA-N 433.405 5.049 30 10 IKEE CC1(C)OB(C=Cc2ccc(NC[C@@]34CC[C@H]3CN(Cc3ccccc3)C4)nc2)OC1(C)C 2365048586 MCDDVWCYQLZDDY-WNCULLNHSA-N 445.416 5.050 30 10 IKEE Cc1ccccc1OCCCC(=O)Nc1c(C#N)cnn1-c1cc(C)c2cccc(C)c2n1 12240506 PNWZVXGVXKAPCG-UHFFFAOYSA-N 439.519 5.015 30 10 IKEE CN1CCN(C=Nc2c(C#N)c(-c3ccccc3)c(-c3ccccc3)n2Cc2ccco2)CC1 15986710 GSLMHCIDVZVFAJ-UHFFFAOYSA-N 449.558 5.242 30 10 IKEE COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@H]3c2ccco2)cc1OC 19633737 OQKPJURGWLAHOG-CPJLOUKISA-N 441.487 5.062 30 10 IKEE Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N/c2c(C)ccc3nccc(C)c23)cc1 20368338 CCAKSPCTAOQVQS-JVWAILMASA-N 429.545 5.711 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(O)cc2)cc1 20882744 SBPCEQFWRGDIGQ-MMTVBGGISA-N 440.543 6.161 30 10 IKEE O=C(/C=C\c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc2c(c1)-c1ccccc1C2 35253395 MIGABVYRIIRCFF-QINSGFPZSA-N 449.937 7.060 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2Cc2ccco2)c1 35444332 ZDVASQCFUJZRGS-KMAVEXBHSA-N 443.499 5.247 30 10 IKEE COc1c(Br)cc(Br)cc1CNc1ccc(Cl)c(C#N)c1 37282009 HTPKPKWEDYNJGD-UHFFFAOYSA-N 430.527 5.357 30 10 IKEE CCn1c(O)c(C(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)c(C)c(C#N)c1=O 38616130 LTGCKAWKZQDFAQ-UHFFFAOYSA-N 441.723 5.160 30 10 IKEE O=C1/C(=C\c2ccc(Br)o2)S/C(=N/c2ccccn2)N1C1CCCCC1 39863041 ZULHQBVKOFZLSM-DGEPWBBQSA-N 432.343 5.374 30 10 IKEE Cc1nnc(/N=C2/S/C(=C\c3cn(C)c4ccccc34)C(=O)N2c2ccccc2)s1 39866423 LKJLXVWAFRUIPZ-POJNRUHKSA-N 431.546 5.147 30 10 IKEE C=CCOc1ccc([C@H]2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2CCCCC)cc1 39912003 QDSPFZUDVJPSRT-VWLOTQADSA-N 445.563 5.699 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(CN4CCCC[C@@H]4C)c(O)cc(C)c3C2=O)cc1 62957635 SXLILBICLYSEJN-UZXDDYOISA-N 434.580 5.537 30 10 IKEE Cc1cc(C)c(/N=C2\S[C@@H](CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2C)c(C)c1 96594222 DKUIRAHKCVKKRS-IDICYNCBSA-N 449.498 5.221 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 100353731 KERKURAQSTYQPD-OHUGHZGNSA-N 440.971 7.424 30 10 IKEE CCCCCCCSc1nnc2c(n1)O[C@H](C(=O)c1ccccc1)Nc1ccccc1-2 101007401 MSOZYYWGVCBILY-HSZRJFAPSA-N 434.565 5.614 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(NCCOC)c1[N+](=O)[O-] 101479288 YMIZSJIDJNRFQD-UHFFFAOYSA-N 437.629 6.336 30 10 IKEE CCCCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N/c1cccc(O)c1 107117961 NBRUHMFTBIDXIS-ZCGWOIPMSA-N 441.578 5.175 30 10 IKEE C=CCN(Cc1ccccc1F)C(=O)/C=C\c1csc(N(C(C)=O)c2ccccc2)n1 108435349 UEMZFIIEXBCEHQ-YPKPFQOOSA-N 435.524 5.195 30 10 IKEE CC(C)[C@@H](CS)COc1c(Br)cc(Br)cc1Br 127129786 NRTBTKHEDCXDJX-MRVPVSSYSA-N 447.030 5.555 30 10 IKEE CCOc1cc(/C=N/Nc2ccc(C)c(Cl)c2)ccc1OCc1ccccc1Cl 169879407 BBDWGOQSQWQJQC-VULFUBBASA-N 429.347 6.726 30 10 IKEE COc1ccc(/C=N\Nc2nc(-c3cccs3)cs2)cc1OCc1ccc(C)cc1 169941931 DJIKJRQLGFURHI-CFRMEGHHSA-N 435.574 6.214 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)C)cc2)[C@H]1c1cccnc1 170003086 YXIDVOJJHJUOGW-QHCPKHFHSA-N 446.478 5.136 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@@H]2c2cccnc2)c1 170009385 OYKLRGFIPIDAEF-JOCHJYFZSA-N 432.907 5.443 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccccc2)c1 170036329 JKNAWBXJWINVTH-DEOSSOPVSA-N 439.467 5.614 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccccc2)cc1 170049466 YKUGKMJAHBCNAV-AREMUKBSSA-N 439.555 6.086 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cc(Cl)ccc2C)[C@@H]1c1ccccc1 170052154 CQSJVOROPQXPFU-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2ccccc2)cc1 170055538 KXPRIJZAAGRIOS-VWLOTQADSA-N 441.527 5.481 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2nc3ccccc3[nH]2)o1 170103363 DFPIKQZYTKIEAI-QHCPKHFHSA-N 449.466 5.400 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1 170223275 QVUIIPFYDRYWTN-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2OC)[C@H]1c1ccccc1 170227320 SSAVJPNCFDYXJJ-QFIPXVFZSA-N 449.890 5.140 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccccc1 170230150 AAPOYQCUWPCEGX-NZQKXSOJSA-N 433.548 5.050 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccc(F)cc2)cc1 170239263 QUDUDRZOEZOGND-HSZRJFAPSA-N 447.462 5.103 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(C(C)C)cc1 170245568 OFVRBDWIVVZZCI-HXUWFJFHSA-N 432.347 6.105 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1c1ccccc1 170272055 CYGBFCSKOOSGBB-XMMPIXPASA-N 427.500 5.565 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccccc1C 170272518 OJHQXEOQVLLOOI-XMMPIXPASA-N 427.500 5.403 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccccc1C 170278261 PPYJVQMHLMHQBC-OAQYLSRUSA-N 425.912 5.178 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]2c2ccco2)cc1C 170288414 CJSDPYKEDUKQHL-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1ccco1)c1cccc2ccccc12 170290469 KEQXJIMDAIZENS-JOCHJYFZSA-N 431.394 5.494 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2Cc2cccs2)o1 170298109 DMNAPNBJCXKOCF-NRFANRHFSA-N 437.517 5.215 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@@H]1c1ccc(C)o1 170309224 UIEICEZMXLOZNV-SFHVURJKSA-N 432.314 5.037 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2sccc2C)cc1C 170315283 HVAKMLVIYRVRFH-NRFANRHFSA-N 433.529 5.465 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1sccc1C 170319712 IMOKHLXNHFTLBC-NRFANRHFSA-N 437.605 6.183 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2cccc(OCC(C)C)c2)cc1 170366141 NKCMCFWJFOCMSC-XMMPIXPASA-N 442.515 5.208 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2cc(Cl)cc(Cl)c2)c1 170388641 VXEVWIBYPLBWFZ-FQEVSTJZSA-N 439.298 5.480 30 10 IKEE Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)c3ccccc3C(F)(F)F)cc(C)c2c1 170536240 TYFZZJJQDVCCCU-UHFFFAOYSA-N 449.436 5.489 30 10 IKEE COc1ccc(C=NNc2nc(-c3ccc(F)cc3)c(NC(=O)c3ccccc3)s2)cc1 254866476 JGVCUKFHZOOTDO-UHFFFAOYSA-N 446.507 5.656 30 10 IKEE CCCCCCC[C@H](NCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 407048821 CGFPZKJLGHWURQ-SFHVURJKSA-N 427.427 6.807 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cccc(Br)c1F 407332274 ATOVJJHFJHOCID-WMZOPIPTSA-N 429.374 5.488 30 10 IKEE CCCOc1cccc([C@@H]2C(c3ccc(OC)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 526487026 SULSGESSWVXXQE-RUZDIDTESA-N 440.499 5.413 30 10 IKEE CCCOc1ccc(/C=N\n2c(CCC)nnc2SCc2ccccc2)cc1OCC 526798832 BHHIWHDSTFEIKG-UQQQWYQISA-N 438.597 5.593 30 10 IKEE Oc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccccc2Cl)cc1 526816787 JTLLIKIQXWJSJT-MYYYXRDXSA-N 434.952 5.402 30 10 IKEE COc1cc(C)c(C)cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)[C@H](C)c1ccccc1 586161040 BJUDLSAXQYBCQL-HXUWFJFHSA-N 434.561 5.136 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@H](C#N)c1cc(Br)cs1 698890027 GCYCFSYITSCWLQ-CQSZACIVSA-N 427.751 6.170 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 698890961 JWBWOVCBEOOWGT-DVECYGJZSA-N 429.561 5.418 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)C1 724028720 NLNPUYIDEKOUGL-HJPURHCSSA-N 449.979 5.811 30 10 IKEE COC(=O)c1ccc(N=C2S/C(=C\c3cc(C)n(-c4ccccc4)c3C)C(=O)N2C)cc1 725400628 SODXTSLUZWUPGV-JXJWTFEASA-N 445.544 5.115 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(Br)cc3)n2)cc1 920143532 RFYJNRXLFPAAST-KRWDZBQOSA-N 427.323 5.000 30 10 IKEE CCOc1cc(C=Nc2ccccc2C)ccc1OC(=O)c1sc2ccccc2c1Cl 1083968538 OBIRRFLHLVOAMU-UHFFFAOYSA-N 449.959 7.232 30 10 IKEE CC/C(=C/C(=O)c1ccc(Br)cc1)Nc1ccc(N=Nc2ccccc2)cc1 1084331676 ZGMBZAWXBVKJIE-NINFKADKSA-N 434.337 7.453 30 10 IKEE Cc1ccc2nc(-c3ccc(N=C/C=C/c4ccc(Br)cc4)cc3)sc2c1 1565517535 LLVBNFOCBYXEIP-OKBFCTOBSA-N 433.374 7.450 30 10 IKEE COc1ccc(/C=C2/CC[C@]3(C[C@@H]4CCCC[C@]4(O)O[C@H]3c3ccc(OC)cc3)C2=O)cc1 1614465131 LHZZMHLXKOFUGQ-VCOOSQQOSA-N 448.559 5.477 30 10 IKEE O=C1C(=O)N(c2ccccc2)[C@@](Nc2ccccc2)(c2ccccc2)/C1=C(\O)c1ccccc1 1615200361 WJLZBBXBJKZCHN-FZDPWXFSSA-N 446.506 5.537 30 10 IKEE Cc1cc(C)cc(-n2c(C)cc3c2CC(C)(C)CC3=NOC(=O)c2cccc([N+](=O)[O-])c2)c1 1772728249 ALPVXCNDSVCJJV-UHFFFAOYSA-N 445.519 5.844 30 10 IKEE CN1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2)SC1=Nc1ccccn1 1772730746 WWKSZISTKQMHIY-CXJFQJJYSA-N 435.936 5.548 30 10 IKEE Cc1ccc(-c2ccc(/C=C3\SC(=Nc4cccc(C)n4)N(C)C3=O)o2)c([N+](=O)[O-])c1 1772731654 PWKUXJQGKFTOFQ-PNVGRYOSSA-N 434.477 5.100 30 10 IKEE Cc1csc(N=C2S/C(=C/c3cn(C)c4ccccc34)C(=O)N2c2ccccc2)n1 1772739681 SXLNPFHFKLQMLR-HHZJYHKJSA-N 430.558 5.752 30 10 IKEE CC(C)c1c(Cl)c(C(=O)Nc2ccccc2C#N)nn1Cc1ccc(C(C)(C)C)cc1 1859377969 QVTJHWJNARZBCB-UHFFFAOYSA-N 434.971 6.130 30 10 IKEE Cc1ccc(/C=C/C(=O)N2CCC(C(=O)Nc3scc(C(C)(C)C)c3C#N)CC2)cc1 1860631123 WTOJBDSSBPJDOC-MDZDMXLPSA-N 435.593 5.116 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1cccc(F)c1 1862413372 AWUOXPFTUIFVQA-DYHNYNMBSA-N 429.438 5.261 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCC(C)C)cc1 1862437271 NOXIQFFGBVNLTP-QFIPXVFZSA-N 441.955 5.753 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2CCC(C)C)cc1 1862458850 WTDXGUDGVKQMJI-NRFANRHFSA-N 431.454 5.291 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Br)cc1 1862488420 ZLBQRWPTJKOYOM-FQEVSTJZSA-N 442.353 5.526 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(O)c(O)c2)c1 1862488548 BZCGPGRORIMWGO-HSZRJFAPSA-N 435.520 5.016 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(C)cc2)cc1 1862533790 OQGILHXBINPETN-DEOSSOPVSA-N 429.491 5.475 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 1862536032 PJDIMVSZYWJYKA-BXKMTCNYSA-N 445.946 6.242 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2cccc(Cl)c2)cc1 1862592163 WQDGGJDTMNXWPU-QHCPKHFHSA-N 447.918 5.175 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(C(C)(C)C)cc2)=C(O)C(=O)N1Cc1ccco1 1862613689 NENLGACKRHLPOO-QHCPKHFHSA-N 429.516 5.664 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2ccc(C)cc2)cc1F 1862636407 GSLLZZTUCYWIAK-XMMPIXPASA-N 445.490 5.230 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(OCCC)cc1 1862655956 SVZUAOLWQGUQOI-DEOSSOPVSA-N 427.500 5.393 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2cccc(O)c2)cc1 1862663170 QGTGILRGWWWCHB-DEOSSOPVSA-N 433.548 5.817 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(CC)cc1 1862723894 HCBLFCJBRTVQND-RUZDIDTESA-N 425.528 5.904 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)[C@@H]2CCCN2c2ccc(Cl)cc2)c1 1866142445 RZKQHFGRSWZGIG-DEOSSOPVSA-N 443.934 5.359 30 10 IKEE CCCC[C@H](NC(=O)C[C@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866747666 YFEBLOFFONYLCT-UIOOFZCWSA-N 447.623 6.125 30 10 IKEE O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CCCN1Cc1ccccc1F 1868174192 NXOHNZWOIRYJFG-QGZVFWFLSA-N 434.355 5.466 30 10 IKEE Cc1ccc(-c2nc(Nc3ccccc3C#N)cc(N3CCO[C@@H](c4ccncc4)C3)n2)cc1 1868327564 WIBQMZPTGGROLO-XMMPIXPASA-N 448.530 5.040 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3cc4cccc(C)c4nc32)nc(-c2cccnc2)n1 1869359848 XNUWVIQFCPVHKC-UHFFFAOYSA-N 434.547 5.268 30 10 IKEE CC(C)c1ccccc1OCCCC(=O)Nc1c(C#N)nnn1-c1ccc(C(C)(C)C)cc1 1870162028 IZIGLUYCDPMZNK-UHFFFAOYSA-N 445.567 5.358 30 10 IKEE C=CCn1cc(OCC=C(C)C)c(=O)cc1CSc1nc2ccc(OC(F)F)cc2[nH]1 1870166328 OIDSFNSFTIEBME-UHFFFAOYSA-N 447.507 5.149 30 10 IKEE CCCCCCCCCCn1cc(OCCCC)c(=O)cc1CSCc1ccccc1 1870182530 LACWPOOHYGRLNO-UHFFFAOYSA-N 443.697 7.601 30 10 IKEE CCCCCCCOc1cn(Cc2ccccn2)c(CNc2ccc(C)c(F)c2)cc1=O 1870837934 GABFJYBWAQABLX-UHFFFAOYSA-N 437.559 5.700 30 10 IKEE C=CCn1cc(OCc2ccccc2)c(=O)cc1CNc1ccc(Cc2ccccc2)cc1 1870895010 UICDGBYSUBXBPQ-UHFFFAOYSA-N 436.555 5.816 30 10 IKEE Cc1ccccc1NCc1cc(=O)c(OCc2ccc(C#N)cc2)cn1Cc1ccccc1 1871251886 AZQLVGRRCDQQOI-UHFFFAOYSA-N 435.527 5.268 30 10 IKEE COc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCC(C)C)c(C)c1 1871255474 YIGAUDYUCHPPHK-UHFFFAOYSA-N 445.563 5.274 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccccc1Cl)O3)CN(CCc1ccc(F)cc1)CO2 1871344756 UOVSHDVNHSJLTK-QRVIBDJDSA-N 449.909 5.798 30 10 IKEE C=CCOc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4Cl)cc(=O)c3c2)cc1 1871358556 OYYBMWJIMONEKM-UHFFFAOYSA-N 431.875 5.931 30 10 IKEE O=C(Cc1ccccc1[N+](=O)[O-])Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O 1871374390 ILHDDNLPSYRBKX-NHDPSOOVSA-N 435.819 5.013 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O)c1ccc(C(F)(F)F)cc1 1871376189 XXUCNDJCMOOWBF-JAIQZWGSSA-N 444.792 6.194 30 10 IKEE COc1ccc(OCCCOc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871415473 DIAHXPOEZCNTDC-IWIPYMOSSA-N 436.891 5.813 30 10 IKEE CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)c1 1871426475 PLRJCEHZHUGLGE-XLFQKYORSA-N 445.446 5.051 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(=O)(=O)CCC 1872209979 SEDCCIIWVMYXBT-XMMPIXPASA-N 442.625 5.387 30 10 IKEE C=CCN([C@@H](C(=O)Nc1cccc(C)c1)c1ccccc1)S(=O)(=O)c1ccc(C)c(C)c1 1872255523 VBBXKGJLGSKSJS-RUZDIDTESA-N 448.588 5.169 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)CCCC 1872497686 HDTSRDLNMIAYOV-FQEVSTJZSA-N 429.026 5.154 30 10 IKEE Cc1cc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)ccc1Cl 1872759872 BLIHPUACHUIONQ-HXUWFJFHSA-N 436.964 5.906 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(OC)cc3OC)n2)cc1 1872770602 ZOAMGXFXFNKQOM-NBILRRPASA-N 448.544 5.506 30 10 IKEE CC(C)c1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(Cl)cc3Cl)n2)cc1 1872776334 NRDPIJCKFBHECE-RQMBKDMJSA-N 441.383 7.130 30 10 IKEE CC(C)c1ccccc1O[C@@H](C)C(=O)[C@H](C#N)c1nc(-c2c[nH]c3ccccc23)cs1 1872777412 NBAJYOLEKIAEOT-LPHOPBHVSA-N 429.545 6.059 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ccc(Cl)cc3)n2)c2ccccc12 1872788459 IWNJBVCDZFCILV-OAQYLSRUSA-N 446.959 6.434 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc4ccccc34)n2)c2ccccc12 1872788504 JQNYMEFDANDTKH-HSZRJFAPSA-N 434.520 6.615 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccccc2)=C(c2cc(F)cc(F)c2)C1=O 1873106888 BXMYGUKDUAANMH-UHFFFAOYSA-N 426.507 5.195 30 10 IKEE NC1=C(c2nc(-c3ccccc3)c(-c3ccccc3)s2)C(=O)CN1Cc1ccccc1F 1873528411 XDWMNEFVSXRLBX-UHFFFAOYSA-N 441.531 5.328 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(F)c(Cl)c1)n2CC(C)C 1873656534 CNSZJOAUSWIZKA-UHFFFAOYSA-N 441.938 5.311 30 10 IKEE CCCCCCCCCCNC(=O)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1 1873937057 XUBIZEPNOYRCGM-UHFFFAOYSA-N 438.015 7.063 30 10 IKEE C=CCSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccc(OCCC)cc1 1874267599 GGBSEQMWDKTSDP-BUVRLJJBSA-N 442.972 5.460 30 10 IKEE CCCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1c(F)cccc1Cl 1874271479 YGWJBPJYDCQKQJ-CVKSISIWSA-N 438.959 6.199 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(OC)cc2)n1/N=C/c1cn(C)c2ccccc12 1874305890 UQHZDTFNNIGHGU-CVKSISIWSA-N 445.592 5.114 30 10 IKEE Cc1cccc(OCc2nnc(SCCc3ccccc3)n2/N=C/c2ccc[nH]2)c1C 1874325109 YZTLCPRIAUUDEE-WGOQTCKBSA-N 431.565 5.019 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2C)cc1 1874349314 FZGVDQONPQRNMZ-YZSQISJMSA-N 428.561 5.360 30 10 IKEE Cc1ccc(/C=N/n2c(CCc3cccs3)nnc2SCc2ccc(C)cc2)cc1 1874369262 RISMCCGFNDCNLA-PCLIKHOPSA-N 432.618 5.916 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2cccc(F)c2)n1/N=C/c1cccc(O)c1 1874393390 LIJCOJMQFBSXSB-AEIQVQRHSA-N 432.524 5.449 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2)n1/N=C/c1cc(Cl)ccc1O 1874395814 WJZOSOWGRJEOPW-AEIQVQRHSA-N 448.979 5.963 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2cccc(Cl)c2)nnc1[C@H](C)c1ccccc1 1874401282 KPWZVNWTLFMWGB-BWJYWGHISA-N 447.007 6.566 30 10 IKEE CCOc1cccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccc(C)cc2)c1 1874415607 YWPZPWXIPDCNRO-OVVQPSECSA-N 442.588 5.751 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCc3ccccc3F)nnc2-c2cccs2)cc1 1874422316 GGYNHGQVEPDEJQ-AFUMVMLFSA-N 436.581 6.444 30 10 IKEE CCOc1cc(/C=N/n2c(SCc3ccccc3)nnc2-c2cccs2)ccc1O 1874422702 ZUWLSLFLAMTDML-OEAKJJBVSA-N 436.562 5.285 30 10 IKEE Cc1ccccc1/C=N/n1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccccc1 1874426107 RLZMSRLLTXCEAS-CVKSISIWSA-N 445.523 5.006 30 10 IKEE COc1ccc(OC)c(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccc(C)cc2)c1 1874437084 ZVDOQTTWGHDACT-MFKUBSTISA-N 438.597 5.367 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C2CCCC2)c1 1874457897 MWWPWNCIZZAJHP-DHRITJCHSA-N 428.964 6.211 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccco2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874464582 RDIANKWEGZVZDK-LGJNPRDNSA-N 442.466 6.040 30 10 IKEE CCCOc1cccc(/C=N/n2c(CCOC)nnc2SCc2ccccc2Cl)c1 1874472611 NQIAGFCSYFNHGY-BUVRLJJBSA-N 444.988 5.084 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(C)(C)C)n2/N=C/c2ccc(C(C)(C)C)cc2)c1 1874484262 NJJFTHDTQAHVSH-JVWAILMASA-N 434.653 6.664 30 10 IKEE COc1ccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C2CCC2)cc1 1874496252 CDXOJQZWKUYJAD-WYMPLXKRSA-N 447.391 6.036 30 10 IKEE O=C(O)c1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CCC2)cc1 1874497761 ZABZVDAMDHFOLK-FSJBWODESA-N 426.929 5.072 30 10 IKEE CCCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1/N=C/c1cccc(Cl)c1 1874505257 SQBMXGMTHXSCHC-ZMOGYAJESA-N 441.988 5.114 30 10 IKEE COCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(F)cc1 1874506239 TWOAFCIUFYLNPB-LSFURLLWSA-N 425.316 5.045 30 10 IKEE CCSc1nnc(C(C)C)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 1874512720 MGBSZGYORRBPIX-ZMOGYAJESA-N 444.988 5.637 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1ccccc1Cl)c1ccc2c(c1)CCCC2 1874572027 SJLQFKVKMKHVBX-ACCUITESSA-N 437.366 7.347 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cc(Br)cc(OC)c2OCC)c1 1874587634 WTJZDIFEZRYERA-CSKARUKUSA-N 449.341 5.550 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1OCc1ccccc1F 1874593805 CIAVXGFRPSBNHU-UXBLZVDNSA-N 431.290 6.616 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1cccc(/C=C/C(=O)c2ccc(C(C)C)cc2)c1 1874597868 IRGUVNZPGDHYQU-LFIBNONCSA-N 427.544 6.340 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OCC(=O)Nc1ccccc1 1874600627 VODRGOUHGJENFW-ZRDIBKRKSA-N 429.516 5.534 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(OC)c1OCc1cc(C)ccc1C 1874604713 BDWPXZBACVPDEY-DTQAZKPQSA-N 440.583 7.078 30 10 IKEE Cc1ccccc1COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1Br 1874608916 NMOUVDPWVHGNSG-ZRDIBKRKSA-N 441.752 6.886 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Br)cc2)ccc1OCCc1ccccc1 1874609118 YNJMTRNOLXSNFR-NTUHNPAUSA-N 437.333 5.975 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)c1OCc1ccccc1F 1874618308 UMONSRIZPRPQON-VAWYXSNFSA-N 438.926 6.970 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)cc1C(C)C 1874627411 RJYHSYKLVNSDFY-ZRDIBKRKSA-N 445.515 6.510 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Cl)c1OCc1ccccc1C 1874627512 NLXNSYOZWHFINY-DHZHZOJOSA-N 442.889 6.800 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(OCC)ccc2OCC)cc(OC)c1OCC(=C)C 1874630077 JPFJAQNSAIMETI-ACCUITESSA-N 436.548 6.072 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)cc1 1874697743 NMHQRDQCVUYSIE-LFYBBSHMSA-N 437.835 5.372 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)Cc3ccccc3)c(OC)c2)c1 1875101991 UXKUSRQJYNWSSJ-VAWYXSNFSA-N 436.891 5.401 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)c(C)c3)c(Cl)c2)c1 1875103074 WIYSUQYMULFMPK-JXMROGBWSA-N 438.882 5.840 30 10 IKEE Cc1cc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2Cl)ccc1Cl 1875128059 LEPTYRFVVFVNEZ-YRNVUSSQSA-N 441.310 6.182 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2Cl)cc1 1875131807 PAXAOAQYEFXTAS-NTUHNPAUSA-N 448.946 6.400 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(Cl)cc3)c(Cl)c2)cc1 1875133203 JONCGBAGNWWHPK-UUILKARUSA-N 441.310 6.182 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Br)c1OC(=O)CC 1875134379 ZIRSAVVGEIBFDP-CSKARUKUSA-N 431.326 5.676 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)c1c(OC)cccc1OC 1875134514 WAEXQYCUTINSPA-JLHYYAGUSA-N 446.499 5.445 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(CC)cc3)c(Cl)c2)cc1 1875137424 LUCJQZRYVWKYNY-VIZOYTHASA-N 448.946 6.807 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)CC(C)(C)C)c(Br)c2)ccc1F 1875141450 FUPUEQVPLLVSOJ-WEVVVXLNSA-N 433.317 6.134 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)c1cccnc1 1875156633 DVYVZBHYIQRCBV-NTEUORMPSA-N 441.527 6.057 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OC(=O)C1CCC1 1875165222 RDPYHBVGPWVICM-ZRDIBKRKSA-N 436.548 6.127 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc([N+](=O)[O-])c1OC(=O)CC 1875192477 NMURPWODZJHJAV-ZRDIBKRKSA-N 449.459 5.367 30 10 IKEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N(Cc3ccccc3)c3ccccc3)n[nH]2)c1C 1891547528 VIBOPYCKQUSIMF-UHFFFAOYSA-N 425.536 5.313 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1ccc2c(c1)CCN2C(=O)OC(C)(C)C 1922053615 DGDBCQXLSLXMLA-RUZDIDTESA-N 436.596 5.798 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1cc(Br)c(Br)s1 1922068747 KXKXLJFHDZCSAS-INIZCTEOSA-N 445.220 5.697 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](NC(=O)OC(C)(C)C)C1CC(C)(C)C1 1924301696 YIZBXWFQALRISV-DHIUTWEWSA-N 430.633 5.457 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(C)sc(C)c1Br 2027387451 AYYXWCLDSURWNZ-YOEHRIQHSA-N 431.440 5.638 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)([C@@H](N)CC#CC2CCCCC2)C1 2041893604 MKNPQJKUBMZWLO-IGKIAQTJSA-N 440.628 5.132 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2071500520 HHKSVIJVGRYWJS-MTJJIEKYSA-N 445.535 5.249 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2077947299 FPZNNJFLCDSBMM-AZUAARDMSA-N 443.588 5.664 30 10 IKEE CC[C@H](c1ccc(C)cc1F)n1nc(C2CCC2)c(/C=N/O)c1I 2079088818 JXUDOHVQDMJKIR-PPAWOMOGSA-N 441.288 5.010 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Cl)cc(Br)c1 2081554407 HAHFYOIFDGHUMX-IRXDYDNUSA-N 429.786 5.060 30 10 IKEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(Cl)cc(Br)c1 2088228388 VHKHRPHLLOVWNI-KRWDZBQOSA-N 444.801 5.246 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@H](C#N)c1c(F)cc(Br)cc1F 2114283061 KOZJUKPIYAWBCO-CYBMUJFWSA-N 430.253 5.229 30 10 IKEE CN(Cc1cccc(Nc2cc(Br)c(C#N)cc2F)c1)C(=O)OC(C)(C)C 2162349847 DBFZWIWTAPHSMD-UHFFFAOYSA-N 434.309 5.570 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2cccc(F)c2C#N)cc1Br 2181048671 SZTZTZYBZDPOKU-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CC[C@@]2(CCCOC2)C1 2185133238 MEQJMKSPZKNLSO-LEWJYISDSA-N 435.362 5.434 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C1 2214839060 TVNJKVJYMGGYEA-LLJLJFOGSA-N 435.609 5.484 30 10 IKEE C=CCC[C@H](NCCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2229117136 WEYVVUUUOOXGIZ-OALUTQOASA-N 425.411 5.219 30 10 IKEE CCCCCCCC[C@H](O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237396498 JXIKFDAKMHKRRR-UXHICEINSA-N 442.438 5.996 30 10 IKEE CCN[C@H](CC=CC#CC(C)(C)C)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2248482129 SWUVJDPWHOZLAS-PKTZIBPZSA-N 428.617 5.070 30 10 IKEE CCN1C(=C2SC(=NC3CCCCC3)N(C3CCCCC3)C2=O)Sc2ccccc21 2295201809 FHDQEWZBUVEURS-UHFFFAOYSA-N 441.666 6.385 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(=C(O)c3ccc(Cl)cc3)C(=O)C(=O)N2Cc2ccco2)cc1 2296226443 QCSDCGJXIZDHRH-JOCHJYFZSA-N 449.934 5.852 30 10 IKEE Cc1cc(N2C(=O)C(=O)C(=C(O)c3cc4ccccc4o3)[C@@H]2c2ccc(Cl)cc2)no1 2296778312 ITVKISHVGHKKJA-FQEVSTJZSA-N 434.835 5.009 30 10 IKEE Clc1ccccc1-c1nc2cc(N=CC=Cc3ccc(Br)cc3)ccc2o1 2297096225 OHPYJYQMIULWFR-UHFFFAOYSA-N 437.724 7.326 30 10 IKEE COc1ccc(N=C2SC(=Cc3ccc(OCc4ccccc4F)cc3)C(=O)N2C)cc1 2297462768 GYWBLQYMNLXOHM-UHFFFAOYSA-N 448.519 5.647 30 10 IKEE O=C1NC(=Nc2ccc(O)cc2)C(=Cc2cn(-c3ccccc3)nc2-c2ccccc2)S1 2314480576 JJUKSMNPYMPFGG-UHFFFAOYSA-N 438.512 5.772 30 10 IKEE C=CCC1([C@H](O)c2cc(Cl)cc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2315500544 UQALEJNKFCPBQT-OAHLLOKOSA-N 434.733 5.088 30 10 IKEE Clc1ccc(-c2csc(NN=Cc3ccc(OCCCc4ccccc4)cc3)n2)cc1 2318417817 HETORBMZLAUWPQ-UHFFFAOYSA-N 447.991 6.921 30 10 IKEE COc1cc(C=NNc2nc(-c3ccc(C)cc3)cs2)cc([N+](=O)[O-])c1OC(C)C 2318417938 KTHUTBCXIUFCDB-UHFFFAOYSA-N 426.498 5.269 30 10 IKEE N#Cc1nc(-c2ccccc2)oc1NN=Cc1cccc(OCc2cccc(Cl)c2)c1 2320833948 GLNJOYWFILDHGV-UHFFFAOYSA-N 428.879 5.892 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc3c2CN(Cc2ccccc2Cl)CO3)C1=O 2321958313 NEWRAQRKWQAFKK-UHFFFAOYSA-N 433.891 5.317 30 10 IKEE Cc1ccccc1COc1ccccc1C=Nn1c(S)nnc1-c1ccccc1Cl 2321993314 KTDBWJOFXDXURC-UHFFFAOYSA-N 434.952 5.657 30 10 IKEE O=C(COc1ccccc1C=CC(=O)c1ccc(Cl)cc1Cl)NCc1ccco1 2322379307 QMAYRYDGZHXRSE-UHFFFAOYSA-N 430.287 5.178 30 10 IKEE COc1cccc(C=CC(=O)c2cccc(Cl)c2)c1OCC(=O)Nc1cc(C)ccc1C 2322528083 KUFRNQASISVUMP-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE Cc1c(OC(=O)c2ccccc2Br)ccc2c1OC(=Cc1ccccc1)C2=O 2322711360 FQGYBULSHGEUBX-UHFFFAOYSA-N 435.273 5.593 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2c(OCc3ccccc3Cl)ccc3ccccc23)c(C)c1 2322948441 AWYNHNSLCMSKAG-UHFFFAOYSA-N 440.970 7.894 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(OC)c3ccccc23)c1OCC(=O)OCC(C)C 2323019180 ZBVTXGHRBVKPOD-UHFFFAOYSA-N 448.515 5.331 30 10 IKEE CCCOC(=O)COc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)ccc1OC 2323040709 XKIGVQDLGYDUDH-UHFFFAOYSA-N 430.500 5.590 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2cccc(C=CC(=O)c3ccc4ccccc4c3)c2)c1 2323049389 JNUZPTLLKWYWSN-UHFFFAOYSA-N 435.523 6.370 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)cc(C)c3C2=O)cc1 2323328096 YOMNOWGQMYEMNZ-UHFFFAOYSA-N 444.914 6.446 30 10 IKEE O=C(C=Cc1ccc(OCCc2ccccc2)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 2323423250 XSMCNCXMUSTXBG-UHFFFAOYSA-N 427.500 5.991 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(OC)c(OCc3cc(C)ccc3C)c(OC)c2)cc1 2323461603 CJZBTOXZXXGNPE-UHFFFAOYSA-N 430.544 6.358 30 10 IKEE CC(C)COc1c(Cl)cc(C=Nn2c(S)nnc2CCc2ccccc2)cc1Cl 2323510874 WHVOPLPDYSLUKR-UHFFFAOYSA-N 449.407 5.576 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc(Cl)c2)cc1)c1ccc(Br)cc1 2323580882 WMIQLWLPCRIXSD-UHFFFAOYSA-N 427.725 6.578 30 10 IKEE CCCOc1c(Cl)cc(C=NNc2nc(-c3ccc(C)cc3C)cs2)cc1OCC 2323844443 OCYKOZIZGBHBJV-UHFFFAOYSA-N 444.000 6.714 30 10 IKEE COc1cc(C=NNc2nc(-c3cccs3)cs2)ccc1OCc1ccc(C)cc1 2323858287 BVXJAEHJXFCUCQ-UHFFFAOYSA-N 435.574 6.214 30 10 IKEE C=CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2sccc2C)C3=O)c1 2323858608 RERDETWRPFZMQF-UHFFFAOYSA-N 432.497 5.765 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(OC)c1OCc1ccc(F)cc1 2324261279 KHFRSMVVTWBWSY-UHFFFAOYSA-N 438.445 6.316 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OCCO)c(Br)c2)cc1C(C)C 2324262432 LEFCQNYNQZNHHK-UHFFFAOYSA-N 433.342 5.157 30 10 IKEE Cc1c(O[C@@H](C)C(=O)Nc2ccccc2)ccc2c1OC(=Cc1ccccc1Cl)C2=O 2324405690 LQEZJLLJFSBDTD-INIZCTEOSA-N 433.891 5.671 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2Cl)c(C)c1 2324441885 SBSMSHNHNUKBKS-UHFFFAOYSA-N 447.962 6.487 30 10 IKEE CC(C)c1ccc(C=C2Oc3cc(OCCCOc4ccc(Cl)cc4)ccc3C2=O)cc1 2324548042 DLXSAMCKBJEXQZ-UHFFFAOYSA-N 448.946 6.928 30 10 IKEE Cc1cccc(OCCCOc2cc(C)c3c(c2)OC(=Cc2ccc4c(c2)OCO4)C3=O)c1 2324567853 ULMPXLWUSXQMQS-UHFFFAOYSA-N 444.483 5.496 30 10 IKEE COc1ccc(C=C2Oc3cc(OCCCCOc4ccccc4)ccc3C2=O)cc1OC 2324574795 NRXWGNOVWUXKQC-UHFFFAOYSA-N 446.499 5.558 30 10 IKEE CCCCCOC(=O)COc1ccc2c(c1C)OC(=Cc1c(Cl)cccc1Cl)C2=O 2325045227 VAYTYFSVZHJWOW-UHFFFAOYSA-N 449.330 6.030 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2)cc1C 2325715071 XWNOHVLXHXCTRD-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)c2)cc1C 2325715128 GCNUFABAGJIPKC-DHIUTWEWSA-N 446.930 6.262 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)c1 2325744519 OGFWXQMRWYGDIP-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)c3cccc(F)c3)c2)cc1C(C)C 2325754099 XXIBZJRGTJGJMA-UHFFFAOYSA-N 432.491 6.381 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)c2ccc(C)cc2)c1 2325756042 RYQPQSHBLFWOQG-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE CCCSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1cccc(F)c1 2325884092 GZANTZQTJMQUSR-UHFFFAOYSA-N 448.567 5.966 30 10 IKEE CCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccc(OC(C)C)c(Cl)c1 2326296254 JTTSWGMUBOUYGL-UHFFFAOYSA-N 428.989 5.764 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccc(F)cc1F 2326525936 CLUXSITVMPJONJ-UHFFFAOYSA-N 448.926 5.648 30 10 IKEE COc1ccc(C=Nn2c(C)nnc2SCc2ccccc2Cl)c(Cl)c1OC 2326542351 VUEWYJGTGXVBMG-UHFFFAOYSA-N 437.352 5.085 30 10 IKEE Cc1ccc(C)c(OCc2nnc(SCCc3ccccc3)n2N=Cc2ccco2)c1C 2327281835 WLIDYLSZVIPONW-UHFFFAOYSA-N 446.576 5.592 30 10 IKEE CCCc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2ccncc2)cc1 2327365812 BQEOVDMPKWDTQZ-UHFFFAOYSA-N 443.576 5.379 30 10 IKEE CC(C)(C)OC(=O)N[C@]1(C)C[C@H]2CC[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 2327836519 KMUVJGPGRAHHOG-ISNLERQRSA-N 447.620 5.532 30 10 IKEE CCSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc(C(C)(C)C)cc1 2327950769 DQXLKURHTITZKX-UHFFFAOYSA-N 427.017 6.008 30 10 IKEE C=CCSc1nnc(COc2c(C)cccc2C)n1N=Cc1ccc(C(F)(F)F)cc1 2328559400 YLVAMSTZMRZDFU-UHFFFAOYSA-N 446.498 5.653 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2ccc(F)cc2)c(C)c1 2328897822 LFKNEARTWXUPNH-UHFFFAOYSA-N 446.551 5.788 30 10 IKEE Cc1ccccc1C=Nn1c(Cc2ccc(F)cc2)nnc1SCc1cccc(F)c1 2329831171 YUBVFFAFGDNVLC-UHFFFAOYSA-N 434.515 5.630 30 10 IKEE Cc1ccccc1CSc1nnc(COc2ccccc2)n1N=Cc1cccc(F)c1 2329878952 BCCNDVACDJCOQN-UHFFFAOYSA-N 432.524 5.479 30 10 IKEE CSc1nnc(Cc2ccc(C)cc2)n1N=Cc1ccc(OCc2ccccc2C)cc1 2329929906 STQHXFMYNOWMRT-UHFFFAOYSA-N 442.588 5.669 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2N=Cc2cccn2C)cc1 2330032565 RLAOYNVDSISGRY-UHFFFAOYSA-N 435.984 5.344 30 10 IKEE CCc1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2[C@H](C)c2ccccc2)cc1 2330078494 JCUFDPPOXYCSMT-LJQANCHMSA-N 444.579 6.306 30 10 IKEE CCCCCCCCNC(=O)[C@](C)(CC)NC(=O)C=Cc1ccc(Br)cc1 2330499240 SZJHJRNYFDGRQB-QFIPXVFZSA-N 437.422 5.224 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(CC)cc2)cc(OC)c1OC(=O)Cc1ccccc1 2330767006 SRSKIMNZWLLPBP-UHFFFAOYSA-N 440.539 6.030 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1 2330884348 QIAMIBROCOYXNQ-UHFFFAOYSA-N 435.317 5.883 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3ccc(F)cc3)c(OC)c2)cc1 2330951209 WKLYHNXNLIBCJN-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE CC(C)CC(=O)Oc1ccc(C=CC(=O)c2cccc(Br)c2)cc1[N+](=O)[O-] 2331003667 DUTQCSODZYTRPH-UHFFFAOYSA-N 432.270 5.205 30 10 IKEE CCSc1nnc(C(F)(F)F)n1N=Cc1ccc(N(CC)Cc2ccccc2)cc1 2331129362 NTPMZSBWBXLUJF-UHFFFAOYSA-N 433.503 5.318 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2ccc(F)cc2)nnc1-c1ccco1 2331182642 QGINNKXWURTCKZ-UHFFFAOYSA-N 434.496 5.417 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)c1ccc2c(c1)OCO2 2331183467 PSNBLSDWDCXHBS-UHFFFAOYSA-N 442.467 5.268 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)c1ccccn1 2331225754 ZHLLAZVKPNYAGS-UHFFFAOYSA-N 435.907 5.866 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)CC1CCCCC1 2331256181 ZDOCFMMEACHJLW-UHFFFAOYSA-N 426.940 6.429 30 10 IKEE COCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(C(C)C)cc1 2331306103 KGFIXVCRMGFTIG-UHFFFAOYSA-N 428.989 5.418 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)c3ccc4c(c3)OCO4)c(Cl)c2)ccc1F 2331335977 BHOFJSWCQSVZPF-UHFFFAOYSA-N 438.838 5.632 30 10 IKEE CC(C)(C)c1nnc(SCCc2ccccc2)n1N=Cc1ccc(C(F)(F)F)cc1 2331398066 AVENPVLLGHPWDC-UHFFFAOYSA-N 432.515 5.811 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C(C)(C)C)c1 2331411160 VBADMJQSSOOHRZ-UHFFFAOYSA-N 449.407 6.066 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC(=O)CCOC 2331429621 MLXDZFXOSOFTMA-UHFFFAOYSA-N 436.548 5.559 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)COc1ccccc1 2331510266 OPJWVHAKSPONTP-UHFFFAOYSA-N 440.854 5.368 30 10 IKEE Fc1ccc(Br)cc1C=Nn1c(SCc2ccccc2)nnc1C1CCC1 2331521348 UJZUGRZLDYGHTQ-UHFFFAOYSA-N 445.361 5.622 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1N=Cc1ccc(CC)cc1 2331630629 UVYXTGPJHKXLHH-UHFFFAOYSA-N 435.597 5.023 30 10 IKEE COc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3cc(C)cc(C)c3OC)cc2)cc1 2331659526 SQRJVIHYNFCLNN-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)Cc1ccccc1 2331802382 GKBGBKUDZJSORR-UHFFFAOYSA-N 442.555 6.345 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1Cl)c1cccs1 2331860166 QHNGWSPRUDLGNQ-UHFFFAOYSA-N 437.731 6.824 30 10 IKEE CC(C)C[C@H](CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339575186 SKXRWCMSKVJHKP-JXOMPUQVSA-N 445.413 5.078 30 10 IKEE COc1ccccc1/N=C/c1c(O)c(C(=O)Nc2ccccc2OC)cc2ccccc12 1229500 KEGFHTCSYGMFGV-JVWAILMASA-N 426.472 5.566 30 10 IKEE CCOc1c(OC)cccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccccc1)C2 21225741 VUOSLJZHEYGZCE-PPHZAIPVSA-N 440.543 6.073 30 10 IKEE O=C(CCCSc1ccccc1)Oc1ccccc1/C=C\C(=O)c1cc2ccccc2o1 33794341 YIVXHAMGCGZPCD-MSUUIHNZSA-N 442.536 6.807 30 10 IKEE C=CCOc1cccc([C@@H]2c3c(-c4cc(Cl)ccc4O)n[nH]c3C(=O)N2CCCC)c1 39898483 YTPCNCYQWJYKDH-HSZRJFAPSA-N 437.927 5.346 30 10 IKEE Cc1cc(OC(=O)c2cccnc2)cc2c1C(=O)/C(=C/c1ccc(-c3ccccc3)cc1)O2 41293414 HRSCCFIVDKHNKV-MYYYXRDXSA-N 433.463 5.892 30 10 IKEE CC(C)(C)c1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccccc3)CO4)C2=O)cc1 41659246 XQYCLOLKPGXELS-MYYYXRDXSA-N 425.528 5.952 30 10 IKEE C=C(C)[C@@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 95909782 FELCJAPFJOPHSD-MHYAHYFVSA-N 440.712 7.204 30 10 IKEE biogenic CCCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC[C@@H](C)C3 101140244 VCLKCPBOEZJMOV-GOSISDBHSA-N 440.678 6.943 30 10 IKEE O=C(/C=C\Nc1nc(-c2ccc(OC(F)F)cc2)cs1)C12CC3CC(CC(C3)C1)C2 110779948 ONFNDVCFTDPORB-WAYWQWQTSA-N 430.520 6.123 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@H]2c2cccs2)cc1 169986101 KOQLIMZQPWVNCI-DEOSSOPVSA-N 439.536 6.247 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc(OC)c1OC 170127056 WDIXODVKUAYLIT-QHCPKHFHSA-N 445.515 5.235 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(O)cc1 170138263 BXNHZKNWROVDEZ-QHCPKHFHSA-N 449.547 5.219 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1cccs1 170155713 ORDAUPBJYKIQBV-HXUWFJFHSA-N 437.492 5.296 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)[C@@H]2c2cccs2)cc1 170159762 UPSXNYDHWOVXCY-NRFANRHFSA-N 449.915 6.239 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccccn2)c1 170170281 FFRFXIUVIBFVNA-VWLOTQADSA-N 434.495 5.635 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccccn2)c1 170172855 WVOMAYKNWUXUBQ-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(Cl)c3)[C@H]2c2cccnc2)c1 170185620 JWJNZHFREDJRBF-HXUWFJFHSA-N 439.298 5.480 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccncc2)cc1 170204146 MTSXTHVUEIBBIJ-JOCHJYFZSA-N 448.906 5.307 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1ccc(F)cc1 170243919 PTEODHIEXTXSGR-QHCPKHFHSA-N 439.527 5.690 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(F)cc2)ccc1Cl 170244017 CGANVDQMTKAMQC-FQEVSTJZSA-N 429.875 5.009 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccc2F)cc1 170248551 IQEOAHPGFZDKEJ-DEOSSOPVSA-N 445.490 5.706 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccc(O)c2)cc1C(C)C 170259181 UXVDSTIPMHWIGO-DEOSSOPVSA-N 443.499 5.307 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccccc2C)c1 170271611 DAOLKRRTFOKTPT-CJAUYULYSA-N 439.511 5.410 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(Cl)c2)[C@@H]1c1ccco1 170288495 XJKCPDHRQUMAJB-HXUWFJFHSA-N 441.842 5.172 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccco2)c1 170293139 YPKPIJWROLDIEJ-HXUWFJFHSA-N 429.900 5.243 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2c2cccc(F)c2)o1 170298916 XGSAGOUEQZVARG-QFIPXVFZSA-N 435.451 5.297 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2c2ccc(C)c(C)c2)o1 170301855 GIFYHMAIIQTVRM-XMMPIXPASA-N 443.499 5.313 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1ccc(C)o1 170310082 UBMDBEBDIUNCSY-FQEVSTJZSA-N 427.884 5.756 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2sccc2C)c1 170314170 AYADEQMHVRHYQR-OAQYLSRUSA-N 433.529 5.547 30 10 IKEE Cc1cc2sc(N3C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]3c3ccccn3)nc2cc1Cl 170480292 JTWYTJZLHGPBAB-KRWDZBQOSA-N 441.940 5.168 30 10 IKEE COc1ccccc1/C=C1\SC(=Nc2ccc(C)c(C)c2)N(c2ccc(C)c(C)c2)C1=O 252592786 BHJMIYJHPKGHJO-IXQMQDOZSA-N 442.584 6.737 30 10 IKEE CCN/C(S)=N/N=Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 254483028 NNQNRYRVBVWMBP-DEOSSOPVSA-N 427.577 5.272 30 10 IKEE CCOc1cccc([C@H]2C(c3ccc(OC)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)c1 526516567 PUMZREJRRMOEPQ-DEOSSOPVSA-N 426.472 5.023 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)c1 526772088 BVOIIUXZNHMJPW-QHCPKHFHSA-N 447.918 5.830 30 10 IKEE Fc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccc(Cl)cc2)cc1 526809112 XZNOROQFTKPPCM-YSMPRRRNSA-N 436.943 5.836 30 10 IKEE N#Cc1ccc(CN(CCC2=CCCCC2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 586135252 MWSKDARERIHURW-UHFFFAOYSA-N 449.403 5.946 30 10 IKEE Cc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2cccc3cccnc23)cc1C 586213593 PODPPEMSCLCQIA-UHFFFAOYSA-N 427.529 5.119 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2cccc(C)c2)cc1 586232469 FDDTXPWPZNLNKD-UHFFFAOYSA-N 446.616 6.385 30 10 IKEE CC(C)(C)OC(=O)N1CCC([C@@](C)(C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)CC1 698896858 DRHOTCYJWWFXDE-HSZRJFAPSA-N 449.617 5.415 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@H](C#N)c1cc(Br)c(Cl)s1 710809083 QSOOTONYRDAYHG-CYBMUJFWSA-N 427.751 6.170 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCC[C@H](CNC(=O)OC(C)(C)C)C2)cc1 724086459 GLNLZZVQJOMJNV-UQBPGWFLSA-N 443.588 5.714 30 10 IKEE Cc1cc(C=Nc2ccc(-c3ccccc3)cc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 1084186180 PQWHFBRZKSIWMX-UHFFFAOYSA-N 428.919 6.863 30 10 IKEE C=CCN1C(=O)[C@H](CC(=O)c2ccc(C)c(C)c2)SC1=Nc1cccc2ccccc12 1772760067 ODBHVLJEUQUYMH-DEOSSOPVSA-N 428.557 5.847 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(Br)cc2)c(=O)cc1C(=O)O 1857891065 LEAWPLRIPYVEGK-UHFFFAOYSA-N 436.346 5.249 30 10 IKEE CCCOC(=O)c1ccc(NC(=O)C(=O)/C=C/c2cccc(OCc3ccccc3)c2)cc1 1860729884 RNTQHSAYHDNQSK-LFIBNONCSA-N 443.499 5.053 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2cccc(Cl)c2)n(Cc2ccccc2Cl)n1 1862339949 HBNYRHDRIYYWPE-UHFFFAOYSA-N 426.347 5.719 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccccc2)cc1 1862390169 XBFOHUZUORFRIA-RZPHLTDDSA-N 431.576 6.186 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccccc2C)cc1C 1862400796 MXTFITPFDWUVPC-RUZDIDTESA-N 445.559 5.781 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862402248 UNUKUPRRIKBGFL-RUZDIDTESA-N 441.527 5.345 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(Cl)cc1Cl 1862417371 YZGYXROWTBEQKF-GOSISDBHSA-N 440.273 5.506 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(N(C)C)cc1 1862478015 XIKZFWVDMAZSLL-VWLOTQADSA-N 448.607 6.000 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 1862482177 NBNIVSNZNLRKPV-HXUWFJFHSA-N 432.347 5.926 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(N(CC)CC)cc1 1862510144 XRKAXQVBTMMXTE-HSZRJFAPSA-N 438.543 5.359 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 1862520604 MEEVTVSQKDGGQZ-FQEVSTJZSA-N 445.437 5.235 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@@H]1c1ccccc1)c1ccc2c(c1)CCCC2 1862543318 DIAPXOYFZJYTOK-RUZDIDTESA-N 441.502 5.483 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc2ccccc12 1862585058 NKOCOJLKPGTTQF-NRFANRHFSA-N 440.326 6.133 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCCOC(C)C)cc1 1862649280 VBBIOFMIYAZRBE-RUZDIDTESA-N 443.543 5.542 30 10 IKEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(C(C)(C)C)cc1 1862654308 YXLKFAKGFLNAJB-BXKMTCNYSA-N 443.543 5.096 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(F)cc2F)cc1 1862659974 CWAJKJMXFVFCGP-DEOSSOPVSA-N 447.481 5.867 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862694576 MRABANRQEPKWFV-DEOSSOPVSA-N 449.547 5.395 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc(O)c1 1862713646 SNIUUTYGJKMGJC-DWXRJYCRSA-N 449.506 5.885 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccccc1F 1862723467 ALIOBDJXQDTEAR-VWLOTQADSA-N 443.518 6.117 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2CC)c1 1862728700 INPXYQAKZLNUKJ-RUZDIDTESA-N 441.527 5.741 30 10 IKEE N#Cc1ccccc1NC1=C(c2cccs2)C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 1863101332 HYWBYDWGQYGUDY-UHFFFAOYSA-N 440.311 5.323 30 10 IKEE N#Cc1ccc(NC2=C(c3cccc4ccccc34)C(=O)N(Cc3ccccc3F)C2=O)cc1 1863224524 NEXDILGOAHKOHP-UHFFFAOYSA-N 447.469 5.243 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(C)cc2)C1=O 1863270411 MUWUWDODIGJBRQ-UHFFFAOYSA-N 443.591 6.199 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2cccs2)=C(c2ccc(C)cc2)C1=O 1863620485 VSJVMOWVTPQZRZ-UHFFFAOYSA-N 438.637 6.067 30 10 IKEE CC(C)Oc1ccc(/C=C(/C(=O)Nc2ccc(C#N)cc2[N+](=O)[O-])c2ccccc2)cc1 1865907617 HMVKFVVPKSFWSN-HYARGMPZSA-N 427.460 5.433 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N(CC)CCCC)nn1-c1ccccc1Cl 1869987249 XPANQTVUBYYBIB-UHFFFAOYSA-N 434.028 6.236 30 10 IKEE CCCCCCCCNC(=O)c1cn(-c2cc(C(C)C)cc(C(C)C)c2)c(=O)cc1O 1870128525 ZWVHNSKYROCJIC-UHFFFAOYSA-N 426.601 5.880 30 10 IKEE CCCCCCCOc1cn(CCCCc2ccccc2)c(CSC(C)C)cc1=O 1870251646 OUHUEYGOYQCKDA-UHFFFAOYSA-N 429.670 6.862 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2C)c(=O)cc1CN1CCC(O)CC1 1870628091 SGMBAFWNWJLKQX-UHFFFAOYSA-N 440.628 5.053 30 10 IKEE CCCCCCCCn1cc(OCCO)c(=O)cc1CNc1cccc(C(F)(F)F)c1 1870789991 GORYZZHCWZOWNY-UHFFFAOYSA-N 440.506 5.211 30 10 IKEE C=CCOc1cn(CCCCN2CCCC2)c(CNc2cccc(C(C)(C)C)c2)cc1=O 1870812051 NDKRGLAAKXETDG-UHFFFAOYSA-N 437.628 5.199 30 10 IKEE CCCCCCCCn1cc(OCCCC)c(=O)cc1CNc1cc(OC)cc(OC)c1 1871110861 GUWFQXZSMABRAN-UHFFFAOYSA-N 444.616 6.017 30 10 IKEE C=CCn1cc(OCCCCOc2ccccc2C)c(=O)cc1CNc1cc(C)cc(C)c1 1871228073 SWFZQFBYRWOIJR-UHFFFAOYSA-N 446.591 5.810 30 10 IKEE CCCCCCCCCCN=c1nc2c(cnn2C)c(Nc2ccc(OC(C)C)cc2)[nH]1 1871298840 LCOKAXZJMRNCCN-UHFFFAOYSA-N 438.620 5.869 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc([N+](=O)[O-])c(C)c4)c3C)C2=O)c1 1871373328 ABEBTJIXXJTKAY-XKZIYDEJSA-N 445.427 5.056 30 10 IKEE CCCOc1ccccc1/C=C/C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(C)cc1)C2=O 1871376154 WJIXWBDMTBNLSV-FTDKWWBHSA-N 440.495 6.019 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)/C(Cl)=C/c4ccccc4)ccc3C2=O)cc1 1871377238 BIXMKRURUXLGDT-GOIUUMNHSA-N 432.859 5.497 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4cccc(OCC(C)C)c4)c3C)C2=O)o1 1871381423 TVMIKUHDQFHCAZ-QRVIBDJDSA-N 432.472 5.767 30 10 IKEE CC(C)Oc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)c1 1871387338 PTGPRDXSFBBZJD-WGARJPEWSA-N 442.511 6.433 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(CN3CCC(N4CCCCC4)CC3)c(O)cc(C)c2C1=O 1871398728 NGNHUYMJOZJAMX-UQQQWYQISA-N 446.591 5.076 30 10 IKEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 1871839351 AMEDAUIFZFLBHT-QHCPKHFHSA-N 428.598 5.103 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1C(C)C)[C@H](C)CC)S(=O)(=O)c1ccccc1 1872460041 BEWHELJLASYSNU-HYBUGGRVSA-N 442.625 5.430 30 10 IKEE Cc1cc(OCC(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)ccc1Cl 1872759871 BLIHPUACHUIONQ-FQEVSTJZSA-N 436.964 5.906 30 10 IKEE Cc1ccccc1-c1ccc(N2CC(=O)C(c3nc4c(s3)CCc3ccccc3-4)=C2N)cc1 1872796197 PIDCLNKGGHBGHY-UHFFFAOYSA-N 449.579 5.601 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2Cl)C(=O)N(C2CCCCCCC2)C1=O 1873032340 OKSNHIVBWIPPIE-UHFFFAOYSA-N 445.047 6.483 30 10 IKEE CCCCCCCCCCNC1=C(c2cc(F)c(F)cc2F)C(=O)N([C@@H](C)CC)C1=O 1873062599 OJYNKSWIYHHZCH-INIZCTEOSA-N 438.534 5.713 30 10 IKEE CCCCCCCCNC1=C(c2ccc(-c3ccccc3)cc2)C(=O)N(CCCCC)C1=O 1873088208 BEFVXBGVBNOERL-UHFFFAOYSA-N 446.635 6.574 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCC)=C(c2c(Cl)cccc2Cl)C1=O 1873092893 HFNIDGRJNAOMAV-UHFFFAOYSA-N 439.427 6.214 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@H]2CCCC[C@@H]2C)=C(c2ccccc2C)C1=O 1873104869 MEJPEZAKEGYYRK-UPVQGACJSA-N 438.656 6.384 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2[N+](=O)[O-])C(=O)N([C@H]2CCCC[C@@H]2C)C1=O 1873140104 QWEAFGDLNGWMAN-ICSRJNTNSA-N 441.572 5.204 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCCCC)=C(c2cc(OC)ccc2OC)C1=O 1873147332 JYZFJEAQRCENIO-UHFFFAOYSA-N 444.616 5.314 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)c(F)c2)cc2c(NCCCCCCCC)ncnc21 1873621258 NBRBVZWFDPHYCE-UHFFFAOYSA-N 437.563 6.090 30 10 IKEE CCCCCCCCCCNC(=O)C1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 1873935200 LENHWUGXNSAKBR-UHFFFAOYSA-N 439.644 5.596 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCC(=C)C)n1/N=C/c1cccs1 1874227033 PSEBAQATJRVGNZ-LPYMAVHISA-N 426.567 5.034 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc(OC)c2)n1/N=C/c1cccc(Cl)c1 1874310270 NFBJONSVFPHWCD-ZVHZXABRSA-N 426.973 5.276 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2ccccc2C)nnc1[C@@H](C)c1ccccc1 1874392561 PIHLQPQVOOGZBI-XLKFHUSGSA-N 426.589 6.221 30 10 IKEE C=C(C)CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874395446 MVLIZWJPMKUDOH-ZIFAQYRBSA-N 431.392 6.287 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCCC)cc1 1874404522 BVYVVJJAHDSJBV-LHLOQNFPSA-N 436.625 6.017 30 10 IKEE Oc1ccccc1/C=N/n1c(SCc2cccc3ccccc23)nnc1-c1ccccc1 1874429352 GMHAZMSNKKSQSH-WPWMEQJKSA-N 436.540 5.978 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(CC(C)(C)C)n2/N=C/c2ccccc2C)o1 1874437933 ATJSLACPAWSAEW-ZVHZXABRSA-N 440.569 5.119 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2cccc3ccccc23)nnc1C1CCCC1 1874456429 RCAXSKHIGBYLOS-WPWMEQJKSA-N 442.588 6.272 30 10 IKEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2-c2ccco2)cc1 1874465814 CJLBBOJFVKOXBA-AFUMVMLFSA-N 445.548 5.076 30 10 IKEE COc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2-c2ccco2)cc1 1874468975 HJOOLXCQZPVSLA-WYMPLXKRSA-N 442.903 5.514 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1cccc(OC)c1O 1874480761 KPJJRQSKWACBTG-WYMPLXKRSA-N 448.951 5.302 30 10 IKEE CC(C)Cc1nnc(SCc2ccccc2F)n1/N=C/c1cccc(Br)c1 1874489688 FSCFMQBIYNDDCU-FSJBWODESA-N 447.377 5.553 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2ccc(Cl)cc2)cc1 1874494055 COFOOVQYSAIZCJ-ZMOGYAJESA-N 439.972 5.120 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1cccc([N+](=O)[O-])c1 1874509431 CACHCSCQDMWKLT-SSDVNMTOSA-N 433.896 5.106 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CC)nnc1SCc1cccc2ccccc12 1874526359 XZVXWGHCAYMNNH-YZSQISJMSA-N 428.561 5.733 30 10 IKEE C=C(C)CSc1nnc(CC)n1/N=C/c1ccc(OCc2ccc(C)cc2)c(OC)c1 1874526779 GQOVYQMHBGJSGM-AFUMVMLFSA-N 436.581 5.287 30 10 IKEE CCOc1c(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc(Br)cc1OC 1874569687 DNJBCXURCXPQCP-BUHFOSPRSA-N 437.333 6.420 30 10 IKEE O=C(COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(F)cc1)NCc1ccccc1 1874584116 XFKOIYLYOQGTCM-FOCLMDBBSA-N 439.486 5.570 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2ccccc2OCc2cccc(F)c2)cc1Cl 1874590302 DHHPCCQGARVGGA-MDZDMXLPSA-N 431.290 6.616 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3ccc(F)cc3)c(OC)c2)cc1 1874606482 QIBDDLQJKUNBOX-LFIBNONCSA-N 448.534 6.661 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 1874610532 XPGILEHIYBJYLI-JXMROGBWSA-N 447.745 7.131 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3F)c([N+](=O)[O-])c2)cc1F 1874621662 NSHQWUPFOXELLP-RMKNXTFCSA-N 425.387 5.357 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1C(C)C 1874627302 ISWDLUZVMRWYQQ-NTEUORMPSA-N 434.963 7.256 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1 1874635275 IZYUWVWRONXFBC-MDWZMJQESA-N 436.954 7.560 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C)cc3C)c2)cc1 1874702446 QPNUFLBHZGOECL-GHRIWEEISA-N 442.555 6.527 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1OC(=O)c1ccc(C)cc1 1874718384 WPCYSDOZYAKVSG-VZUCSPMQSA-N 441.310 6.426 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)[C@@H]3CCCO3)c(OC)c2)cc1 1875105947 UBZMJBFGZWGQKD-FLSMSTFGSA-N 442.939 5.672 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC(=O)CC(C)C 1875118256 VBESJQZLSFEKTN-BJMVGYQFSA-N 431.872 5.495 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)CC12CC3CC(CC(C3)C1)C2 1875128605 LLUSUGOJLBJODO-CSKARUKUSA-N 444.571 6.493 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2[N+](=O)[O-])c1 1875134597 AJHATAHCIWKULL-DHZHZOJOSA-N 431.444 5.336 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)[C@H]1CCCO1 1875140654 QGOGDXLECIDAJP-LCCNJJIFSA-N 428.912 5.336 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC(=O)Cc1ccccc1F 1875144051 CURYEUJEAXAZHE-PKNBQFBNSA-N 434.463 5.196 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)c1ccccn1 1875163393 JDEPMUSBGRFLTE-DHZHZOJOSA-N 435.426 5.212 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCOc3ccccc3)cc2)c(C)c1C 1875168199 WXEGNPGGHXOJTB-RVDMUPIBSA-N 430.500 5.583 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC(C)C)c(OC)c2)c(OCC)c1 1875179194 CLBIEUHYBBEYDP-XYOKQWHBSA-N 426.509 5.340 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)c(C)c3)c(Cl)c2)c(C)c1 1875182528 HVJBCSGPDJQQLK-CSKARUKUSA-N 446.974 6.926 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)c(C)c3)cc2)c2ccccc12 1875191170 ZUSZPMJSXWYRDA-LFIBNONCSA-N 436.507 6.581 30 10 IKEE C=CCN(CC[C@H](NCCC)c1ccc(Cl)cc1Br)C(=O)OC(C)(C)C 1898191897 RKOYLMQTZJQIHH-SFHVURJKSA-N 445.829 5.956 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)C(F)(F)[C@H](NC(=O)OC(C)(C)C)C1CC1 1922067559 CDXINOMFLWRYML-NHCUHLMSSA-N 438.559 5.066 30 10 IKEE C#Cc1ccccc1[C@@H](CCC(=O)O)CNC(=O)OCC1c2ccccc2-c2ccccc21 1951863932 SXRSVQVWSCSXNZ-FQEVSTJZSA-N 439.511 5.155 30 10 IKEE C=CCCC[C@@H](NCCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997468961 KMIIQONQDVCZPK-ZEQKJWHPSA-N 430.633 5.555 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1c(Cl)cccc1Cl)c1ccco1 2033814363 RBCPRDLQOOQSMA-QGZVFWFLSA-N 434.300 5.426 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 2041559906 NICBVTRQZLLNKQ-MZNJEOGPSA-N 447.551 5.497 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@H]2C[C@H]1C[C@@H]2NC(=O)OC(C)(C)C 2046020905 XYKMGLHAKOKUNN-USTRSKKPSA-N 441.572 5.322 30 10 IKEE COc1cccc(C=CC(=O)c2c(O)nc3ccccc3c2-c2ccc(Cl)cc2)c1OC 2053614506 WFNWXDFWRFIQJO-UHFFFAOYSA-N 445.902 6.174 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCN(C(=O)OC(C)(C)C)C23CC3)cc1 2070829856 OSFMVDZWURFMJV-VWLOTQADSA-N 441.572 5.562 30 10 IKEE Fc1cc(Cn2nc(C3CCC3)c(Br)c2C(F)(F)F)ccc1C(F)(F)F 2078994715 PSPUQLMSPDHTGW-UHFFFAOYSA-N 445.176 6.138 30 10 IKEE Cc1cc(O)c([C@@H](C2CCC2)n2nc(C(F)F)c(C=NO)c2Br)cc1C 2080054090 MYPYKXZYURKBAI-MRXNPFEDSA-N 428.277 5.103 30 10 IKEE N#Cc1c(C(F)(F)F)nn(Cc2ccc(C(F)(F)F)cc2Cl)c1Br 2080321539 GMLDBITXNFKWDJ-UHFFFAOYSA-N 432.549 5.257 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CN(Cc3ccccc3)[C@]3(CCOC3)C2)cc1 2100065900 CLUJLAFRZRVOCM-SXOMAYOGSA-N 447.579 5.064 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H](Nc3ccc(C#N)c(Br)c3F)[C@H]1CC2 2162321943 BKVFYNBQNQVFAL-OFQRWUPVSA-N 438.341 5.192 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(CNc3cc(Br)c(C#N)cc3F)CCC[C@@H]12 2162404072 XTLSEQBSCSHJMF-YLJYHZDGSA-N 438.341 5.051 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)C1(C#N)CCC2(CCCN2)CC1 2167915305 ZHLOJKJJYYQIEJ-UHFFFAOYSA-N 434.378 5.149 30 10 IKEE Cc1cc(Br)c(C(=O)NC2(C#N)CCCCC2)cc1NC(=O)OC(C)(C)C 2181044262 AGNVYVUNCPRTJA-UHFFFAOYSA-N 436.350 5.061 30 10 IKEE COc1cccc(C)c1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2183191649 QTEBZXBUKXAELU-KRWDZBQOSA-N 431.330 5.773 30 10 IKEE CCCCCCCCC(=O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237430397 BIZMXXAFHYAFSZ-IBGZPJMESA-N 440.422 6.205 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@H](C#N)c1c(F)ccc(Br)c1F 2239743406 LYEYNJNYDKVBDK-INIZCTEOSA-N 443.332 6.252 30 10 IKEE CC1(C)OB(c2cc(Cl)cc(C(=O)N(Cc3ccccc3)CC3CCC3)c2)OC1(C)C 2255825056 SVTMKSWSTHJLFE-UHFFFAOYSA-N 439.792 5.082 30 10 IKEE C=C(C)CCCC[C@@H](O)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2271755252 MCTFUBWIPRFOFP-RTBURBONSA-N 426.395 5.382 30 10 IKEE C=CC[C@]1(COc2cc(Cl)c(Br)cc2N)CCN(C(=O)OC(C)(C)C)C1 2272233439 CROSHZRYHUQEJV-IBGZPJMESA-N 445.785 5.267 30 10 IKEE C=C(C)CCCC[C@H](OCC(=O)O)c1scc(Br)c1Br 2292714433 GFKPBZIZWARYNN-NSHDSACASA-N 426.170 5.552 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H](CNc2ccc(C#N)c(Br)c2F)CC1 2295177260 KABBGNWJFXJXCI-AWEZNQCLSA-N 440.357 5.299 30 10 IKEE O=C(C=Cc1ccc(Cl)cc1Cl)c1cc(Cl)ccc1OC(=O)N1CCOCC1 2296797029 DKVHLNFWHOMDQL-UHFFFAOYSA-N 440.710 5.374 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(=Cc1ccc(Br)cc1)C2=O 2314437690 UAOKZUSXPOJRBX-UHFFFAOYSA-N 435.273 5.593 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(OC)cc2)SC1=Nc1nc(-c2ccccc2)cs1 2314543494 FPXSMXSDBZTPRX-UHFFFAOYSA-N 433.558 5.609 30 10 IKEE Cc1c(OCc2ccc([N+](=O)[O-])cc2)ccc2c1OC(=Cc1ccc(N(C)C)cc1)C2=O 2321853784 JEXJBDSAFDUPLG-UHFFFAOYSA-N 430.460 5.164 30 10 IKEE CCOc1c(Br)cc(Br)cc1C=CC(=O)c1cccc(Cl)c1 2322524986 URVJTRHVROGHGL-UHFFFAOYSA-N 444.550 6.160 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 2322527772 JNNGHLXNPUNTMX-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE Cc1cc(OC(=O)c2ccccc2Cl)cc2c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O2 2322725105 DNFYXTGDRMVBFM-UHFFFAOYSA-N 446.930 6.781 30 10 IKEE Cc1c(OC(=O)C=Cc2ccco2)ccc2c1OC(=Cc1cn(C)c3ccccc13)C2=O 2323163929 WHFYGJCSEAYJMX-UHFFFAOYSA-N 425.440 5.315 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCc3nc(O)c4ccccc4n3)c(Cl)c2)cc1 2323464764 FSXZQHZSOLMXNG-UHFFFAOYSA-N 444.918 6.026 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OCc3ccc(C)cc3)c(Br)c2)c1 2323489821 RCKFIXSORCVEMY-UHFFFAOYSA-N 437.333 6.241 30 10 IKEE CCCCc1nnc(S)n1N=Cc1ccc(OCc2cc(C)ccc2C)c(OCC)c1 2323502185 ROZUMJYCUOWARI-UHFFFAOYSA-N 438.597 5.386 30 10 IKEE Cc1cc(OC(=O)c2cccc(OC(C)C)c2)cc2c1C(=O)C(=Cc1ccc(Cl)cc1)O2 2323808980 DMWSYQTZAUZZDL-UHFFFAOYSA-N 448.902 6.271 30 10 IKEE Cc1ccccc1C=C1Oc2c(CN3CCC(N4CCCCC4)CC3)c(O)cc(C)c2C1=O 2324210314 NGNHUYMJOZJAMX-UHFFFAOYSA-N 446.591 5.076 30 10 IKEE Cc1cc(OCCOc2ccccc2)cc2c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O2 2324220920 KXZHVDMUTXDYFG-UHFFFAOYSA-N 441.310 6.376 30 10 IKEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(Cl)cc3Cl)n2)c(C)c1 2324522026 HCMYDNGIUJNYLM-SFHVURJKSA-N 427.356 6.623 30 10 IKEE Cc1cccc(OCCOc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2Cl)C3=O)c1 2324522571 LVPGBWIOGGWZRT-UHFFFAOYSA-N 441.310 6.376 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3cccc([N+](=O)[O-])c3)n2)cc1 2324545690 QGBUKMRYXBXKEW-HXUWFJFHSA-N 433.489 5.397 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)ccc1OCCc1ccccc1 2324584893 MTACCKPBWYLSNJ-UHFFFAOYSA-N 442.599 7.209 30 10 IKEE COc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)s3)cs2)c(OC)c1 2324817258 HKBHTQOVYVXHDC-CQSZACIVSA-N 430.938 5.432 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1OC)C2=O 2325005151 SQERUTLLKNWHHK-UHFFFAOYSA-N 443.499 5.200 30 10 IKEE Cc1c(OCC(=O)N[C@@H](C)c2ccccc2)ccc2c1OC(=Cc1ccccc1F)C2=O 2325019633 MKSGCPSWRIESPG-KRWDZBQOSA-N 431.463 5.007 30 10 IKEE CCCOC(=O)[C@H](CC)Oc1ccc2c(c1)OC(=Cc1ccccc1Br)C2=O 2325079270 ROZKYMFUIOJFGZ-SFHVURJKSA-N 445.309 5.176 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(Cc2ccccc2)n1N=Cc1cccs1 2325506526 AFGNNCAPEBRPDG-UHFFFAOYSA-N 442.972 5.897 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(N(CC)CC)cc1 2325566630 BWPVNHPBXWGQKX-UHFFFAOYSA-N 442.032 5.905 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC(=O)Cc2ccc(F)cc2)c1 2325752511 KLOOZZRCZJQDIP-UHFFFAOYSA-N 446.518 6.176 30 10 IKEE CSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1ccccc1OC(C)C 2326358226 VCRPGIIQMVPNMC-UHFFFAOYSA-N 438.597 5.298 30 10 IKEE CCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1c(Cl)cccc1Cl 2326681341 KMXBICURXNYDRA-UHFFFAOYSA-N 430.364 5.584 30 10 IKEE C=CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1cccc2ccccc12 2326924384 SYLVPYXIBXGXGX-UHFFFAOYSA-N 442.632 6.351 30 10 IKEE CCCSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc([N+](=O)[O-])cc1 2327976857 RVXFJKHCYGJIGP-UHFFFAOYSA-N 429.933 5.009 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1cccc(OCC)c1 2328944892 VZCGGTGUWKKNCD-UHFFFAOYSA-N 434.609 5.629 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1ccccc1OC(C)C 2329421977 JINCETDXSCIBTG-UHFFFAOYSA-N 434.609 5.823 30 10 IKEE Fc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2cccc(F)c2)cc1 2329852984 SCTXDLPEQQVSLC-UHFFFAOYSA-N 434.515 5.364 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@H](C)c3ccccc3)n2N=Cc2ccccc2C)c1 2330109293 YAVDZAKQXVTKOE-JOCHJYFZSA-N 440.616 6.530 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)[C@@H](C)c3ccccc3)c(OC)c2)cc1 2330738579 CXCXOHAHJGKZBN-SFHVURJKSA-N 448.946 6.516 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2cccc3ccccc23)nnc1C1CCCC1 2331084129 MBJFUYMYPGECLD-UHFFFAOYSA-N 426.589 6.572 30 10 IKEE CCCCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccc(C)cc2)cc1OCC 2331286917 ZCQBYBONVBAILS-UHFFFAOYSA-N 445.353 6.148 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(Br)c1OC(C)=O 2331421457 RQTHCIVRZBTYFH-UHFFFAOYSA-N 431.326 5.577 30 10 IKEE COc1cc(C=Nn2c(CC(C)C)nnc2SCCc2ccccc2)cc(Cl)c1O 2331456563 CWAOWBOTDXYZNU-UHFFFAOYSA-N 444.988 5.061 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CCC2)c1 2331541817 ZUPPBDKXHKUJAD-UHFFFAOYSA-N 447.391 6.036 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1N=Cc1ccc(C(C)C)cc1 2331638709 AVOTVWGKWGTLAU-UHFFFAOYSA-N 435.597 5.275 30 10 IKEE CCCCOc1ccc(C=Nn2c(CCC)nnc2SCc2ccccc2)cc1OC 2331649196 OSNHOBYXVVXLQO-UHFFFAOYSA-N 438.597 5.593 30 10 IKEE Cc1cc(C)c(Cn2nnc(C#N)c2NC(=O)C=Cc2ccc(Cl)cc2Cl)c(C)c1 2332148473 SWBFOLZNVLTECJ-UHFFFAOYSA-N 440.334 5.082 30 10 IKEE CO[C@@H](C#C[C@H](O)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1)C1CCCC1 2369619060 QDCXZXLBFRKHQA-OALUTQOASA-N 438.362 5.038 30 10 IKEE COc1cc(OC)cc(-c2nnc(SCc3ccc(C#N)cc3)n2-c2ccccc2C)c1 4211654 IQIJQAUVERUEFX-UHFFFAOYSA-N 442.544 5.424 30 10 IKEE Cc1ccc(C2=NN(c3ccc(/C=N/c4ccccc4O)cc3)[C@H](c3ccccc3)C2)cc1 15772848 ORJYMCAPQVIWKI-LUJVFJMUSA-N 431.539 6.807 30 10 IKEE COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2)cc1OC 21223197 SLKJTZONLDJCJH-XHCCPWGMSA-N 426.516 5.683 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(C(C)(C)C)cc2)cc1OC 21225435 VRCBTBWLALUGJE-TZIWHRDSSA-N 447.575 5.396 30 10 IKEE O=C(Oc1ccc(F)cc1C(=O)/C=C\c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 33442515 RLMRDGMPZIOTPM-JYOAFUTRSA-N 425.799 5.503 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 34955602 HNPDTRUTYFUNAL-PJQLUOCWSA-N 448.946 6.761 30 10 IKEE C=CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C(C)C 36304770 APAFCTNXBLZGJM-DEOSSOPVSA-N 449.595 5.055 30 10 IKEE Cc1ccc(C(C)C)c(O[C@H](C)C(=O)c2c(C)c(C#N)c(=O)n(C3CCCCC3)c2O)c1 38618395 XGPDKKWCJBZARP-GOSISDBHSA-N 436.552 5.321 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@@H]1c1ccc(Cl)cc1 40085834 CTVQNCYEQWXMHL-NRFANRHFSA-N 427.928 5.426 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(C(C)(C)C)cc1)C3=O)CN(C[C@@H]1CCCO1)CO2 41588146 VGRUKLMBWOXHOD-DZCITIIWSA-N 433.548 5.240 30 10 IKEE C[C@H](c1ccccc1)N1COc2ccc3c(c2C1)O/C(=C\c1cccc([N+](=O)[O-])c1)C3=O 41655340 BYJBMKLMBRNGNM-GEWRUKCFSA-N 428.444 5.124 30 10 IKEE C=CCN1C(=O)/C(=C\c2cc(Cl)ccc2OCCOc2cccc(C)c2)SC1=S 83329290 UFVVHBVWZBYHFY-XSFVSMFZSA-N 445.993 5.493 30 10 IKEE CCCCCCCCCCCCCCCCNCC(=O)Nc1cccc(OC(C)C)c1 100055817 KZHNSBZSXQUZQB-UHFFFAOYSA-N 432.693 7.483 30 10 IKEE CCCCCCCOc1ccc(NCC(=O)Nc2cccc(C(=O)N[C@H](C)CC)c2)cc1 100077694 QOZGFBYNOXNPQC-HXUWFJFHSA-N 439.600 5.615 30 10 IKEE C=CCOc1cccc(NC(=S)NC(=O)c2sc3cc(OC)ccc3c2Cl)c1 100464811 AOKSVSIJIORJGH-UHFFFAOYSA-N 432.954 5.255 30 10 IKEE CCCC[C@H]1O[C@H]1CCCCCCCCCCCCCC1=C(O)C(=O)C(C)=C(O)C1=O 100502366 CQYLCXGDVUAPIN-YADHBBJMSA-N 434.617 6.811 30 10 IKEE O=C1C(=O)N(Cc2ccco2)[C@@H](c2ccccc2Cl)/C1=C(/O)c1ccc(Cl)cc1 102602117 WFFZWQJUYCGRDV-HQMFNGAOSA-N 428.271 5.208 30 10 IKEE O=C1CCCC2=C1[C@@H](c1ccc(OCc3c(Cl)cccc3Cl)cc1)NC(=S)N2 169938903 IREYOQFAHGIWCO-HXUWFJFHSA-N 433.360 5.098 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccc(C(C)C)cc2)c1 169967631 XKJOYTRDWGUUGE-RUZDIDTESA-N 443.518 6.349 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1cccs1)c1cccc([N+](=O)[O-])c1 169985406 PJOZURMVLWIYFV-SFHVURJKSA-N 440.864 5.093 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1cccs1)c1cc2ccccc2o1 169987789 BDSRJPLXSHYKSN-HXUWFJFHSA-N 437.423 5.555 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2cccnc2)cc1C 170005695 QFPTZKHLIJZPJS-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@@H]2c2cccnc2)cc1 170009352 RBACPTGACDUENW-JOCHJYFZSA-N 432.907 5.389 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)c1 170057803 PKBGDMQENZPWKI-QFIPXVFZSA-N 435.882 5.879 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccc(C(C)C)cc2)ccc1F 170066102 JEOLOFLPNPHVRR-HSZRJFAPSA-N 439.527 5.261 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccccc2F)cc1 170071320 BCELMNZDNOYREP-HSZRJFAPSA-N 426.447 5.043 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1c[nH]c2ccccc12)c1cccc(Cl)c1 170074029 JWPSMOIPTACGIK-QFIPXVFZSA-N 446.865 5.743 30 10 IKEE Cn1cc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2C2CCCC2)c2ccccc21 170085573 IBCNQTPATVQEPN-DEOSSOPVSA-N 439.515 5.181 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1cccs1)c1ccc(Cl)c(Cl)c1 170162853 KKARCLKQNFYYCZ-GOSISDBHSA-N 445.327 5.228 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccncc2)cc1C 170202403 PCFHOPOCDVSDKW-DEOSSOPVSA-N 442.515 5.188 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(OCC)c2)c1 170218628 BLHQWWMUMKQKMX-DEOSSOPVSA-N 449.547 5.395 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1c[nH]c2ccccc12 170255360 GWELGCHPGXWMDM-QHCPKHFHSA-N 432.520 5.334 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@H]2c2ccco2)cc1C 170283426 UAEGBBFDLLUSNA-DEOSSOPVSA-N 445.515 5.722 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OCC)cc3)[C@@H]2c2ccco2)cc1 170285333 HWJVDUIWENGUDE-HSZRJFAPSA-N 447.487 5.250 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccco2)ccc1Cl 170290692 KQCLFZLBRXHIRV-IBGZPJMESA-N 445.805 5.003 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)cc(OC)c3o2)[C@H]1c1ccco1 170294371 PEXASLYWSRIPAF-GOSISDBHSA-N 429.856 5.066 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc(OCC(C)C)c3)=C(O)C(=O)N2c2cccc(F)c2)o1 170298910 RVHHLUJLBGTRAX-HSZRJFAPSA-N 449.478 5.545 30 10 IKEE CC(C)COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccc(O)c2)cc1 170385267 BURVBHZWKLPIHP-XMMPIXPASA-N 443.499 5.210 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1cccc2ccccc12)c1ccncc1 170420801 AAGCUMBMNWIPBQ-DEOSSOPVSA-N 438.458 5.152 30 10 IKEE CCc1ccc2nc(Nc3c(C#N)cnn3-c3cc(C)c4cccc(OC)c4n3)sc2c1 170547654 JQFOHKSNFNDPQK-UHFFFAOYSA-N 440.532 5.525 30 10 IKEE O=C1C(=NNc2ccc([N+](=O)[O-])cc2)Sc2nc(-c3ccccc3)c(-c3ccccc3)n21 254392449 MOPWHNVGHYBXAG-UHFFFAOYSA-N 441.472 5.297 30 10 IKEE CCN1/C(=C2\SC(=Nc3ccccc3)N(c3ccc(F)cc3)C2=O)Sc2ccccc21 254398368 OBWRFYOVKSJAFR-GAUWVFOVSA-N 447.560 6.395 30 10 IKEE Cc1[nH]c2ccccc2c1/C=C1\SC(=Nc2ccccc2)N([C@H](C)c2ccccc2)C1=O 254826833 OUHSPJKTHNYAMN-HIEKKTARSA-N 437.568 6.842 30 10 IKEE C=CCN=c1scc(-c2ccc(OC)cc2OC)n1N=C(CC)c1ccc(F)cc1 263621989 XHVWJEVQWLKFFP-UHFFFAOYSA-N 425.529 5.122 30 10 IKEE N#Cc1cc(F)c(Nc2ccc(Br)cc2Br)cc1Br 311411294 LDNXQXUSSGALRH-UHFFFAOYSA-N 448.915 5.728 30 10 IKEE COc1cccc(/C=N/C[C@]2(O)CC[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]32C)c1O 504255763 PFLCXOYUUHWAGR-BAVMAUPFSA-N 439.640 5.984 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3ccc(Cl)c(Cl)c3)[C@H]2c2ccc(F)cc2)c1 526521236 LJXLUAMRKHBHRP-OAQYLSRUSA-N 439.273 6.061 30 10 IKEE CC(C)COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccc(O)c2)cc1 526604323 HTDIAOGLYZKVAK-RUZDIDTESA-N 440.499 5.356 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1ccc(OC(C)=O)cc1 526811335 HUQIYWVPVBFKKY-MYYYXRDXSA-N 436.581 5.337 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccc(C(C)(C)C)cc1 526818220 WOIPHTLRZOMGON-WGARJPEWSA-N 445.007 6.495 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCc2ccc(Br)cc21 698475724 ITAIXEODUKHXHG-JOCHJYFZSA-N 427.342 5.864 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)c(F)c1F)NCCC 701318231 KNIACCHTBXSYQR-CVEARBPZSA-N 447.364 5.107 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)CC1 704039956 DWPIUKABKQIPEW-HSZRJFAPSA-N 433.524 5.251 30 10 IKEE CCC(C)=NNc1nc2cc(C)c(NC(=O)c3cccc(Br)c3)c(C)c2s1 1081377944 IYDBUDXGJSIYJM-UHFFFAOYSA-N 445.386 6.126 30 10 IKEE COc1cc([N+](=O)[O-])ccc1-c1ccc(C=NNc2c(F)c(F)c(F)c(F)c2F)o1 1565518958 UQVVHUFUERUTQO-UHFFFAOYSA-N 427.285 5.005 30 10 IKEE COc1cccc(NC(=O)Oc2cccc3c(NC(=O)c4cccc(C#N)c4)cccc23)c1 1858780255 QYCGFNVCDMSLSO-UHFFFAOYSA-N 437.455 5.583 30 10 IKEE N#Cc1ccccc1NC(=O)c1nn(-c2cccc(Cl)c2)c(-c2ccccc2)c1Cl 1859381593 QYZNGHCXZYURIH-UHFFFAOYSA-N 433.298 5.970 30 10 IKEE CCCOc1ccc(-c2nc3ccc(C(=O)Nc4ccc(C#N)cc4)cc3[nH]2)cc1OCC 1859442877 ZXVSVDJSPRQZKM-UHFFFAOYSA-N 440.503 5.541 30 10 IKEE N#Cc1c(NC(=O)CSc2nc(-c3cccc(Cl)c3)cs2)sc2c1CCC2 1860819124 RHAFMGIVZZFUOV-UHFFFAOYSA-N 431.995 5.616 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(CCCC)cc2)n(-c2cccc3ccccc23)n1 1862334597 KXPHEVRTXAXDKD-UHFFFAOYSA-N 449.598 6.849 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1C 1862406873 ZQUNNFIGQIXOFQ-LJQANCHMSA-N 434.319 5.297 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCC(C)C)cc1 1862418917 OAMYQQOWUUAIDV-JOCHJYFZSA-N 443.490 5.378 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(C(C)(C)C)cc1 1862434899 JSZMGOZLRRPDRB-OAQYLSRUSA-N 441.955 5.252 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(F)c1 1862445216 QYSIZQHIXWEINB-IFMALSPDSA-N 443.946 6.416 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862450286 DDLPDKVOFIEIBJ-BTYIYWSLSA-N 427.928 5.506 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C(C)C)cc1 1862451463 GTXKWISRGSUOEO-OAQYLSRUSA-N 427.928 5.506 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(Cl)cc3)[C@@H]2c2ccccc2F)cc1 1862473900 IKVFNHZNRBVSJF-HSZRJFAPSA-N 449.909 5.609 30 10 IKEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc2ccccc12 1862480283 CHXCDIRWANPFNH-VWLOTQADSA-N 442.559 5.068 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc(OCC)cc2)cc1 1862519228 FMUWNAPLLARJTK-HSZRJFAPSA-N 437.536 5.108 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccc(OC)cc3)[C@H]2c2ccccc2)cc1 1862535073 ZKMYWGLFUZJWFD-CJAUYULYSA-N 441.527 5.597 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1cccc2ccccc12)c1ccc(Cl)c(Cl)c1 1862584911 KLPLSKAPHKYKJM-OAQYLSRUSA-N 438.310 5.887 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccc(C)cc2)cc1 1862590116 BDWMPRVTPHSDCA-DEOSSOPVSA-N 427.500 5.042 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(O)cc1 1862613928 SXGSFEVTVJHZBI-BSDZUQITSA-N 447.575 5.847 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cccc(Cl)c1 1862627737 RNTUYKXEIRQUSF-OAQYLSRUSA-N 441.911 5.227 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CCCCCCC2)c1 1862660512 NCMXNEZMPGJBMW-AREMUKBSSA-N 445.603 6.810 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862690229 KBNMMVBGYIGWKK-YJYMSZOUSA-N 433.426 5.091 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2ccccc2C)c1 1862699577 WCXYIAZPTVPMDB-VWLOTQADSA-N 441.527 5.215 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(O)c(O)c1 1862711935 GDTHYJWGXPSFPD-QHCPKHFHSA-N 431.488 5.020 30 10 IKEE Cc1cccc(NC2=C(c3ccccc3Cl)C(=O)N(c3ccc(C#N)cc3)C2=O)c1C 1863077124 CBOSGOPUWGFXDP-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc3ccccc3c2)=C(c2ccc(C)cc2)C1=O 1863265124 RTXJKSPAWGNHPT-UHFFFAOYSA-N 440.587 6.701 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCc2cccs2)=C(c2cccs2)C1=O 1863808723 SQMHOBMQEIZVIW-UHFFFAOYSA-N 444.666 5.863 30 10 IKEE CCCCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CC)[C@H]1c1ccccc1 1863994724 YNALTSIRWLFTEX-JOCHJYFZSA-N 438.616 5.163 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1cccc(C(F)(F)F)c1F 1866029981 SCTSOAKUMNOHDG-UHFFFAOYSA-N 445.585 9.045 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N[C@H](C)c1nc2ccccc2[nH]1 1866030025 UUQBKDIUCGACMB-HSZRJFAPSA-N 427.677 8.002 30 10 IKEE CC(C)[C@H](CC(=O)N[C@H](C(=O)Nc1ccccc1C#N)c1ccccc1)c1ccc(F)cc1 1866749233 RCXYHQIINQCCIT-OZXSUGGESA-N 443.522 5.323 30 10 IKEE C=CCn1cc(OCCCCOc2cccc(C)c2)c(=O)cc1CN1C[C@@H](C)C[C@H](C)C1 1870315423 JJIVYJFPUMSPSO-GOTSBHOMSA-N 438.612 5.059 30 10 IKEE C=CCOc1cn(CCCCN(CC)CC)c(CNc2ccc(CCCC)cc2)cc1=O 1870812736 HTIVGIMWNZYSOD-UHFFFAOYSA-N 439.644 5.490 30 10 IKEE C#CCOc1cn(CCCOC(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871005930 HDDIYIFHYKPKDI-UHFFFAOYSA-N 445.563 5.031 30 10 IKEE CCCCCCCCCCn1cc(OCCCC)c(=O)cc1CNc1cccc(C)c1C 1871112492 GOKLVGJFUSEVTH-UHFFFAOYSA-N 440.672 7.397 30 10 IKEE CCCCCCCCn1cc(OCCCCC)c(=O)cc1CNc1ccc(Cl)cc1 1871130473 SBOXSRGFJOLWKQ-UHFFFAOYSA-N 433.036 7.043 30 10 IKEE C=CCn1cc(OCCCCOc2cccc(C)c2)c(=O)cc1CNc1cc(C)cc(C)c1 1871220928 FGHSEQIMCWKUCO-UHFFFAOYSA-N 446.591 5.810 30 10 IKEE N#Cc1ccc(COc2cn(Cc3ccccc3F)c(CNc3ccccc3)cc2=O)cc1 1871252542 GPTFKQCNIKJUTR-UHFFFAOYSA-N 439.490 5.098 30 10 IKEE Cc1c(OC(=O)c2ccc(F)c(F)c2F)ccc2c1O/C(=C\c1ccccc1F)C2=O 1871370407 KJFDZLQETJEOKR-ZDLGFXPLSA-N 428.337 5.387 30 10 IKEE Cc1nc2ccc(C(=O)Oc3ccc4c(c3)O/C(=C\c3ccccc3F)C4=O)cc2nc1C 1871379441 RERMGHLQPKKWRT-MSXFZWOLSA-N 440.430 5.221 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)cc1 1871387627 GZPIFJQJPAJXQY-XYGWBWBKSA-N 443.499 5.377 30 10 IKEE CCCCN(CC)Cc1c(O)cc(C)c2c1O/C(=C\c1cccc(Br)c1)C2=O 1871395745 IJVHCSBWDKNZSY-MOSHPQCFSA-N 444.369 5.701 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccc(C)cc4C)c3C)C2=O)c1 1871414931 XVVWJAJIWOBPME-FXONECCMSA-N 441.527 5.942 30 10 IKEE CCOc1ccccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(F)cc1)C2=O 1871418529 YHMGZNQHCKSGJD-UCQKPKSFSA-N 447.462 5.167 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C(C)(C)C)cc4)ccc3C2=O)c1 1871445226 NWAGJKXMQAMUPU-MYYYXRDXSA-N 441.527 5.926 30 10 IKEE O=C1/C(=C/c2ccc(-c3ccccc3)cc2)Oc2cc(OCCN3CCCCC3)ccc21 1871451251 LPDKMTABPOGCPW-DIBXZPPDSA-N 425.528 5.835 30 10 IKEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1ccc(Cl)cc1 1871816433 FYOKXVKLHRORTE-SFHVURJKSA-N 449.016 5.277 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 1871841317 MXXDGQABVIJBSB-XMMPIXPASA-N 442.625 5.574 30 10 IKEE C=CCN([C@H](CCC)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872556074 WONWPIQAFBMZLJ-HSZRJFAPSA-N 442.625 5.213 30 10 IKEE N#C[C@@H](C(=O)COc1ccc(Cl)cc1Cl)c1nc(-c2ccc(F)cc2F)cs1 1872766111 CCYVESIAJBAHDK-ZDUSSCGKSA-N 439.270 5.650 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 1872773240 LMDJOYZGHIVYBK-URWPNFCTSA-N 430.573 6.396 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)c3c(F)cccc3Cl)n2)cc1C(C)C 1872779193 DJKYPYFCONJXOW-INIZCTEOSA-N 442.943 6.533 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@H](C#N)C(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)c1C 1872781736 YRGFTDIDFYARFV-QGZVFWFLSA-N 439.924 6.095 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)COc3c(C)ccc(C)c3C)n2)cc1Cl 1872785159 HBRCYQOEKLWMKG-QGZVFWFLSA-N 440.952 5.653 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)c3cc(Cl)ccc3OC)n2)cc1C 1872787561 MJEWLMHVSLECMR-QGZVFWFLSA-N 426.925 5.588 30 10 IKEE Cc1c(CC(=O)Nc2cccc(C#N)c2)c(=O)oc2cc3c(cc12)CCC1(CCCCC1)O3 1873866537 ASZPSBLUPPWUBH-UHFFFAOYSA-N 442.515 5.182 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc2c(c1)C(=O)N(C1CCCCCCC1)C2=O 1873934891 CIIDIBYFGRLRPE-UHFFFAOYSA-N 440.628 6.266 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1/N=C/c1ccc[nH]1 1874194761 GARSOKXPRRVOSF-WGOQTCKBSA-N 437.613 5.466 30 10 IKEE C=C(C)CSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1cccc(C)c1 1874206096 JZFCCNNAPWKZBO-BHGWPJFGSA-N 447.391 6.023 30 10 IKEE CCc1ccc(OCCCc2nnc(SC)n2/N=C/c2ccccc2OC(C)C)cc1 1874223507 PMWLRWWGKUYEAN-KOEQRZSOSA-N 438.597 5.243 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccc(C)cc3)n2/N=C/c2ccco2)CC1 1874286108 POBCSOJZWOCUIX-YZSQISJMSA-N 436.625 6.818 30 10 IKEE COc1cccc(CCc2nnc(SCc3ccccc3)n2/N=C/c2cccs2)c1 1874310432 VWUPFQCBQLNJNM-LFVJCYFKSA-N 434.590 5.308 30 10 IKEE CCSc1nnc(COc2cccc(C)c2C)n1/N=C/c1ccc(Cl)cc1Cl 1874324106 YLMHQCAPXCKNHP-FOKLQQMPSA-N 435.380 5.775 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3C)n2/N=C/c2ccccn2)c(C)c1 1874325478 QWHUZAMZAZEIAM-JFLMPSFJSA-N 443.576 5.352 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2C)n1/N=C/c1ccccc1F 1874361550 VEBHBAYQCAQTFY-OGLMXYFKSA-N 444.579 5.994 30 10 IKEE Cc1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SCc2ccc(F)cc2)cc1 1874373245 FNHXHMIUPHZAGR-JFLMPSFJSA-N 434.515 5.630 30 10 IKEE Oc1ccccc1/C=N/n1c(Cc2ccccc2F)nnc1SCc1ccccc1F 1874375762 MASSGZFGROHIGS-VULFUBBASA-N 436.487 5.027 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccccc3C)nnc2[C@H](C)c2ccccc2)c1 1874392920 YKONTWYFKXOPSX-AYQSFACRSA-N 442.588 5.921 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2Cl)n1/N=C/c1ccccn1 1874395370 LBQMHOWDRYSUBK-AEIQVQRHSA-N 433.968 5.653 30 10 IKEE COc1ccccc1/C=N/n1c(CC2CCCCC2)nnc1SCc1ccccc1C 1874406522 QNMKFLZEESCJFB-YZSQISJMSA-N 434.609 5.892 30 10 IKEE Clc1ccccc1CSc1nnc(-c2cccs2)n1/N=C/c1c[nH]c2ccccc12 1874422488 OQARCIMWUMAVLL-DHRITJCHSA-N 449.992 6.316 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2c(F)cccc2Cl)nnc1-c1ccccc1 1874430049 QGVMEWDJVADCIP-VULFUBBASA-N 436.943 6.221 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCc3ccccc3)nnc2[C@H]2CCCO2)cc1 1874445462 FNQDVXPXCPQBDK-YALBQKEFSA-N 436.581 5.483 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1cccc2ccccc12 1874475368 WVQJSYMUBAJEIJ-YZSQISJMSA-N 443.576 5.387 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(N(C)C)cc1 1874480960 OCJFVMGZXKTFMQ-AFUMVMLFSA-N 445.995 5.654 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(CC(C)C)nnc2SCc2cc(C)ccc2C)cc1 1874490071 YMUQVAYOPUSKFP-WPWMEQJKSA-N 449.668 6.114 30 10 IKEE CCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1/N=C/c1ccc(C(C)C)cc1 1874504189 KNUVTZZFQLZLTQ-MFKUBSTISA-N 435.597 5.275 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(N(CC)CC)cc1 1874525702 BMQBBRCDGSKXJY-OVVQPSECSA-N 443.620 6.014 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(C)nnc1SCc1c(Cl)cccc1Cl 1874533564 PTLWEHKUUIKJDN-FSJBWODESA-N 433.364 5.633 30 10 IKEE CCCOC(=O)COc1ccccc1/C=C/C(=O)c1ccc(OCCC)c(OCCC)c1 1874576646 YLNCZMHIWWQNBZ-ACCUITESSA-N 440.536 5.492 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1OCC(=O)NCc1ccco1 1874593248 ZVHVEBPXQPVGQF-XYOKQWHBSA-N 441.483 5.033 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(OC)c(OC)c3)cc2)cc1 1874602935 HAGMBFKHYCSCJE-OQLLNIDSSA-N 445.515 5.180 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccccc1 1874606540 TZYKVLZFEVEGID-XYOKQWHBSA-N 427.327 6.867 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3C)c([N+](=O)[O-])c2)cc1 1874616256 PXQPQSSVKDUMPL-UKTHLTGXSA-N 430.460 5.125 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OCc1ccc(C)cc1 1874629379 ZVJDKIGNJDETIA-OUKQBFOZSA-N 444.571 6.721 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 1874634871 XSQINNCMEHJSPG-CSKARUKUSA-N 437.879 6.040 30 10 IKEE COc1cccc(CCC(=O)Oc2cc(/C=C/C(=O)c3ccc(C)cc3C)ccc2OC)c1 1874701517 WYKHPYVANAHIAB-UKTHLTGXSA-N 444.527 5.755 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccccc3[N+](=O)[O-])c2)cc1 1874703257 HKQMOWORKCAUSH-XNTDXEJSSA-N 431.444 5.499 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccc(C(C)(C)C)cc2)c1 1874704268 FVKIJFHSJRJYPG-XNTDXEJSSA-N 428.528 6.416 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccc(C)c(C)c2)c1 1874715255 KRJVLGUUWHZXMY-PKNBQFBNSA-N 434.919 6.389 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1C 1874717531 AKGAYRRFSRNGQQ-ZHACJKMWSA-N 431.444 5.336 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccccc2OC)CSc2nnc(CCCC)n21 1874897169 MANYIIDTSSCMNK-FQEVSTJZSA-N 444.645 5.692 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccs3)c(Br)c2)cc1 1875100899 MYTBJTQPYRZVNH-YRNVUSSQSA-N 441.346 6.188 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC(C)(C)C)c(Br)c2)cc1 1875101202 RSSJDVCIPNXYHI-XYOKQWHBSA-N 429.354 6.249 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])c1)c1ccccc1 1875127241 UWRQKLMQRIHLHC-GZTJUZNOSA-N 449.462 6.377 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)c1ccccc1Cl 1875132166 IJOJUUZPWFXPCP-FMIVXFBMSA-N 441.310 6.426 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(Cl)cc3)cc2)c(C)c1C 1875168252 YYWFCHBKWOYRPY-RIYZIHGNSA-N 434.919 6.010 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2ccc(OC(=O)C3CCCC3)c(Cl)c2)cc1Cl 1875174194 FGBNFXJFMFAKBO-VQHVLOKHSA-N 449.330 6.002 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(OCC)cc2OCC)cc1OC 1875177609 GAJBTDILUKJXRY-FMIVXFBMSA-N 446.927 5.748 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3)cc2)c(OCC)c1 1875178195 YBVCFPJMQLXRMU-LDADJPATSA-N 444.527 5.918 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccccc3)cc2)c2ccccc12 1875190944 VLNHFSUQVPKEPH-GHRIWEEISA-N 438.479 5.729 30 10 IKEE CC[C@]1(C)N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1887216758 IFVAWSVKEJTAGQ-LOSJGSFVSA-N 443.588 5.496 30 10 IKEE C#CC[C@@H](C)C[C@H](NCCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1887451201 CSSSUFSHBMIFCM-YWEHKCAJSA-N 441.615 6.935 30 10 IKEE N#Cc1ccnc(OC[C@H]2CCCN(C(=O)c3cc(-c4ccccc4)nc4ccccc34)C2)c1 1891648025 QXHHQRDDIRUPDG-NRFANRHFSA-N 448.526 5.100 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1[C@H](C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1892756233 MYVPIDOTCRHYED-PMACEKPBSA-N 441.572 5.105 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 1997652681 OJTHNYUTSXQQTD-PFWHTEFJSA-N 435.609 5.341 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)C12CCCCC2 2017321035 NNYDDZPHRNBPQU-DEOSSOPVSA-N 433.593 5.382 30 10 IKEE C=CCCCCCCCC[C@H](O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2026314840 VVNZMWMEUZJKCQ-ZEQRLZLVSA-N 432.649 5.679 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2032216266 HCIXRKXSUOHPSY-BXKMTCNYSA-N 447.551 5.544 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)CC12CC2 2065974336 WQYUKFRHEAHKFA-VWLOTQADSA-N 441.572 5.420 30 10 IKEE CCc1ccc([C@@H](n2nc(C(F)(F)F)c(/C=N/O)c2Br)C(C)(C)C)cc1 2079138340 IJVOGZQWOZVMBD-GQLBNTDBSA-N 432.284 5.670 30 10 IKEE ON=Cc1c(C(F)F)nn([C@@H](c2ccc(C(F)(F)F)c(F)c2)C2CCC2)c1Cl 2079858789 VRXURWJKWBLIIG-CQSZACIVSA-N 425.760 5.830 30 10 IKEE Cc1ccc(F)c(-c2cc(O)n3nc(C4CCCCC4)c(C#N)c3n2)c1Br 2080933144 CEFJLXGVNGQCKI-UHFFFAOYSA-N 429.293 5.231 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CN(Cc2ccccc2)C2(CCCC2)C1 2100066118 DSIVGGONTDWLNG-NDEPHWFRSA-N 445.607 6.218 30 10 IKEE CC[C@H]1CC[C@@H](Nc2cc(Br)cc(F)c2C#N)CN1C(=O)OC(C)(C)C 2107452093 ZADYXLZACHESSX-KGLIPLIRSA-N 426.330 5.050 30 10 IKEE C[C@@H](C[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br)C(F)(F)F 2121445580 SDPULYPXAXOUIC-YVEFUNNKSA-N 435.284 6.061 30 10 IKEE CCCCCCCCC[C@@H](N)[C@H](O)c1cc(Br)c(Br)s1 2148616059 DDPBSSLYSNQZOY-OCCSQVGLSA-N 427.246 5.775 30 10 IKEE C=CCCCCC[C@H](NCC)[C@H](O)c1scc(Br)c1Br 2150566705 KSSXIFNDYXMEBG-JSGCOSHPSA-N 425.230 5.421 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)C(C)(C)[C@@H]1CCCCO1 2151440393 TTXCZZLAFDQBHK-ROUUACIJSA-N 437.378 5.678 30 10 IKEE COC1(C(F)(F)F)CC(C#N)(N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)C1 2156339886 QCIPEZYDJRSBQS-UHFFFAOYSA-N 449.267 5.194 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCN(c2cccc(Br)c2C#N)c2ccccc21 2174811600 ZUEVCTVSFGGELS-KRWDZBQOSA-N 428.330 5.428 30 10 IKEE CC(C)N(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(Br)cc1C#N 2174812153 HPXKEPQBSBTNLA-MRXNPFEDSA-N 436.394 5.183 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCC)c2c(F)cc(Br)cc2F)C1 2183008212 MIWHRAZYWFFOHY-QGZVFWFLSA-N 445.348 5.239 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](Cc2cccc(Br)c2C)NCC)C1 2183011917 UPXHXVJXUKDTBD-IBGZPJMESA-N 437.422 5.139 30 10 IKEE CN(c1ccc(Br)cc1C#N)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1 2197458484 LCIWVVCCYKPZOG-IBGZPJMESA-N 430.346 5.023 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)CCC12CC2 2220216005 RISUJMRLOZRJQL-VWLOTQADSA-N 447.620 5.772 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1sc(C)c(C)c1Br 2221832398 NMQIEZXFNKPPOU-GDBMZVCRSA-N 431.440 5.638 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Cl)c(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)c1 2224135686 QWIAIIFJFXASRF-UHFFFAOYSA-N 446.740 5.174 30 10 IKEE CCCN[C@@H](C#Cc1ccc(CCC)cc1)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 2231227909 HUYFEBWHJPBJSV-MHZLTWQESA-N 448.651 6.186 30 10 IKEE CC1(C)OB(c2ccc(Nc3ccc(Br)c(Cl)c3Cl)nc2)OC1(C)C 2232252550 VZTPJZYVWNODON-UHFFFAOYSA-N 443.965 5.194 30 10 IKEE O=C(OCc1ccccc1)N(CC(F)(F)F)[C@@H](CO)c1cccc(C(F)(F)F)c1F 2235306011 PLCIGQSUXRSJFW-HNNXBMFYSA-N 439.327 5.079 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C 2235730296 OQOAUBWQIOBOLH-IEBWSBKVSA-N 437.422 5.108 30 10 IKEE C=CCCC[C@H](NCCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237401360 WQRSIZHOJAMVNA-PMACEKPBSA-N 439.438 5.609 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)cc1CC 2237549646 IIFDCXSBUBABMG-PMACEKPBSA-N 439.438 5.912 30 10 IKEE CC(C)(C)OC(=O)NC[C@@]1(C)CCC[C@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 2249882978 RUIYQJMOZVSNBR-DHIUTWEWSA-N 449.617 5.462 30 10 IKEE C=CCCC1([C@H](N)c2sc(Br)c(C)c2C)CN(C(=O)OC(C)(C)C)C1 2254993663 IFHKYLJJYYSSFH-OAHLLOKOSA-N 429.424 5.331 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](N)c1cc(Br)cc(C(C)(C)C)c1 2273003717 SINWFJHRCBKJAF-ROUUACIJSA-N 425.411 5.606 30 10 IKEE N#C[C@H](C(=O)c1scc(Br)c1Cl)c1ccc(F)cc1Br 2279289828 KINPWFNEJUEDLZ-QMMMGPOBSA-N 437.515 5.556 30 10 IKEE Cc1ccc(NC=C2SC(=Nc3ccc(Br)cc3)N(C)C2=O)cc1Cl 2295213117 FUVQAWZQDAPQMG-UHFFFAOYSA-N 436.762 5.557 30 10 IKEE Cc1ccc(N=C2NC(=O)C(=Cc3ccc(OCc4ccccc4C#N)cc3)S2)cc1 2296738445 WNSQAHIRDVOQCU-UHFFFAOYSA-N 425.513 5.337 30 10 IKEE C=CCOc1ccc(C=C2SC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC 2297297250 WFPCETNNZLDDSG-UHFFFAOYSA-N 436.316 5.808 30 10 IKEE CCCN1C(=O)C(=C2C=Cc3ccccc3N2CC)SC1=Nc1cccc([N+](=O)[O-])c1 2297453834 XRDVLDXPUDTUDX-UHFFFAOYSA-N 434.521 5.333 30 10 IKEE O=C1C(=Cc2ccc(-c3ccccc3OC(F)(F)F)o2)CSc2ccc(Cl)cc21 2297563401 NSHJFOLWROMZSD-UHFFFAOYSA-N 436.838 6.871 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=Nc1nccs1 2314490076 XUVBPNFVMVPVDO-UHFFFAOYSA-N 438.490 5.101 30 10 IKEE CCOc1ccc(C=C2SC(=Nc3ccccn3)N(c3ccccc3)C2=O)cc1OC 2314542223 SZBPCTDJZWROBU-UHFFFAOYSA-N 431.517 5.298 30 10 IKEE COc1cccc(C(=O)C=CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)c1 2320933983 NOAKXUVHLXPHEQ-UHFFFAOYSA-N 432.442 5.082 30 10 IKEE CCCCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(OC)cc1OC)C3=O 2322083182 BHSJKRPLVGGOKV-UHFFFAOYSA-N 437.536 5.361 30 10 IKEE CC[C@H](C)N1COc2cc(C)c3c(c2C1)OC(=Cc1cn(C)c2ccc(OC)cc12)C3=O 2322092257 MARDRUNRSKOFFP-INIZCTEOSA-N 432.520 5.062 30 10 IKEE CCc1ccc([C@H](C)N2COc3cc(C)c4c(c3C2)OC(=Cc2sccc2C)C4=O)cc1 2322260256 FQAPIFNCOJXAHG-SFHVURJKSA-N 445.584 6.457 30 10 IKEE O=C(C=Cc1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 2322416509 RBYOPXKPCRHKGS-UHFFFAOYSA-N 438.277 5.832 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(F)c(C)c2)c1OCC(=O)N[C@@H](C)c1ccccc1 2322638075 FEYKRCFDEVHESE-IBGZPJMESA-N 447.506 5.295 30 10 IKEE Cc1c(OC(=O)c2cccs2)ccc2c1OC(=Cc1cccc(Br)c1)C2=O 2322667575 CYEBHQZNMLBROU-UHFFFAOYSA-N 441.302 5.654 30 10 IKEE Cc1cc(OC(=O)C2CCCCC2)cc2c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O2 2322748035 GAJFQFHTXSUHOK-UHFFFAOYSA-N 431.315 6.404 30 10 IKEE Cc1cc(OC(=O)COc2ccccc2)cc2c1C(=O)C(=Cc1c(F)cccc1Cl)O2 2322948845 DMBAFGSTRSIYBQ-UHFFFAOYSA-N 438.838 5.388 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2cc(C)ccc2C)cc1Cl 2322979128 XXWCYUWJRRFVRF-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE Cc1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2323060670 DKDAVUZCUFEXBJ-UHFFFAOYSA-N 430.887 6.192 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)CCc4ccc(Cl)cc4)cc(C)c3C2=O)cc1 2323106042 OWJYJWVYCDBHAW-UHFFFAOYSA-N 432.903 6.111 30 10 IKEE Cc1c(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc2c1OC(=Cc1cccs1)C2=O 2323232256 UYZZAVBVLDBRTL-UHFFFAOYSA-N 441.848 5.454 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)cc1C 2323310830 YNVYJTAZKUHLEP-UHFFFAOYSA-N 447.487 5.704 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3ccccc3)c2)cc1C 2323318615 XLLLOYSXFGKXLM-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE Cc1cc(OC(=O)C=Cc2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1ccc(F)cc1)O2 2323323727 ZLXZHKONKHZNGM-UHFFFAOYSA-N 434.850 6.023 30 10 IKEE Cc1cc(OC(=O)c2c(F)cccc2Cl)cc2c1C(=O)C(=Cc1cccc(F)c1)O2 2323353557 OTEXESXDNHTHES-UHFFFAOYSA-N 426.802 5.762 30 10 IKEE CCN(Cc1ccccc1)c1ccc(C=Nn2c(S)nnc2CCc2ccccc2)cc1 2323503392 QPQJTRXXHOADGZ-UHFFFAOYSA-N 441.604 5.261 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OCC(=O)Nc1cccc(C)c1 2323768132 NQSVTZOUZXDRNV-UHFFFAOYSA-N 449.934 5.961 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2Cl)C3=O)c1 2323858342 JRDFKSWNMVKMQJ-UHFFFAOYSA-N 446.886 6.049 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(OC)c(OCc2cccc(C)c2)c(OC)c1 2323992275 SJYZCCULVAJOQH-UHFFFAOYSA-N 432.516 5.804 30 10 IKEE CCn1cc(C=C2Oc3c(CN4CCCC[C@@H]4C)c(O)cc(C)c3C2=O)c2ccccc21 2324010339 JCCMWLUTSHQUTA-SFHVURJKSA-N 430.548 5.666 30 10 IKEE O=C1C(=Cc2ccc(-c3ccccc3)cc2)Oc2cc(OCCCOc3ccccc3)ccc21 2324234421 ZNMOAHIGNQLTGN-UHFFFAOYSA-N 448.518 6.818 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Cl)c1OCc1ccccc1F 2324234718 DOSLVPREXVEAOH-UHFFFAOYSA-N 432.825 6.241 30 10 IKEE N#C[C@H](C(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc3ccccc3c2)cs1 2324354095 WNMACPZGGPGLQC-OAQYLSRUSA-N 425.469 5.761 30 10 IKEE Cc1cccc(OCCCOc2ccc3c(c2)OC(=Cc2c(F)cccc2Cl)C3=O)c1 2324561606 AEKVPHXCRAOXFL-UHFFFAOYSA-N 438.882 6.252 30 10 IKEE CC(C)c1csc([C@@H](C#N)C(=O)C=Cc2ccc(OCc3ccccc3Cl)cc2)n1 2324598873 VKJPYEFDPBYGFS-FQEVSTJZSA-N 436.964 6.389 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCCCOc4ccc(CC)cc4)ccc3C2=O)cc1 2324658177 FXXQBIQAIROLQB-UHFFFAOYSA-N 428.528 6.276 30 10 IKEE COC(=O)c1cccc(COc2ccc3c(c2C)OC(=Cc2ccccc2Cl)C3=O)c1 2324748339 SRGKLYJCMDHOAB-UHFFFAOYSA-N 434.875 5.630 30 10 IKEE Cc1c(OCC(=O)N[C@@H](C)c2ccccc2)ccc2c1OC(=Cc1ccc(F)cc1)C2=O 2325019649 PIPBZNDXFBNICW-KRWDZBQOSA-N 431.463 5.007 30 10 IKEE Cc1cc(OCc2ccccc2C#N)cc2c1C(=O)C(=Cc1ccc(-c3ccccc3)cc1)O2 2325357931 VWRVZACUKNNXEM-UHFFFAOYSA-N 443.502 6.729 30 10 IKEE O=C(C=Cc1ccc([N+](=O)[O-])s1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1 2325684045 BJHNZQQOHVEFKA-UHFFFAOYSA-N 442.880 5.110 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccc(OC)cc4)c3C)C2=O)cc1 2325731858 DAGCNZVFNCXBFQ-UHFFFAOYSA-N 443.499 5.200 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)c1 2325743586 WOVIHPIIBCMJJP-FCHUYYIVSA-N 446.930 6.262 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3c(C)cccc3C)c2)cc1F 2325748824 FHPMGRLQTQYOSP-UHFFFAOYSA-N 434.463 5.332 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OC(=O)Cc1ccc(C)cc1 2325750229 OJOGHJIMAHCRIX-UHFFFAOYSA-N 428.528 6.171 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1OC(=O)Cc1ccccc1 2325756413 FXRNIHLHTUPKFK-UHFFFAOYSA-N 428.528 5.973 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Br)c(O)c(OCC)c2)c(OCC)c1 2325796894 HPPYSTBHOCOHTG-UHFFFAOYSA-N 435.314 5.247 30 10 IKEE CSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1ccc(C(F)(F)F)cc1 2326357968 ZXNPQSOUUHUQHY-UHFFFAOYSA-N 448.514 5.529 30 10 IKEE CCCSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1c[nH]c2ccccc12 2326399049 FEHDMCMQYUSURN-UHFFFAOYSA-N 447.608 5.772 30 10 IKEE CCSc1nnc(CCCOc2ccccc2)n1N=Cc1cccc(Br)c1 2328730011 CUQFCJKIXQIPAW-UHFFFAOYSA-N 445.386 5.046 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3C)n2N=Cc2ccncc2)cc1 2329465445 HLNHGUAHXHJHIS-UHFFFAOYSA-N 427.577 5.250 30 10 IKEE CCc1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCc2ccc(F)cc2)cc1 2329809685 AGCFJEAIIBIPAR-UHFFFAOYSA-N 448.542 5.884 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2ccc(F)cc2F)cc1 2330004166 BXRFKCMPGAERTA-UHFFFAOYSA-N 448.542 5.673 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccc(F)cc2)n1N=Cc1ccccc1F 2330064102 BOCKVRJUNGFREM-KRWDZBQOSA-N 434.515 5.883 30 10 IKEE CSc1nnc(CCc2ccccc2)n1N=Cc1ccc(OCc2ccccc2C)cc1 2330155886 ALHNLHFARQUGQS-UHFFFAOYSA-N 442.588 5.555 30 10 IKEE Oc1ccccc1C=Nn1c(SCc2cccc3ccccc23)nnc1-c1cccs1 2330596457 ATMKANJOBQQNRC-UHFFFAOYSA-N 442.569 6.040 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)Cc1ccc(C)c(C)c1 2331080372 QMYIXZHRENMGHQ-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)Cc1ccccc1Cl 2331163334 WZFDIDNHPRXQCO-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2Br)cc1C 2331168022 KKEHGMAFURUHNH-UHFFFAOYSA-N 435.317 6.181 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc([N+](=O)[O-])c1OC(=O)c1ccco1 2331228576 MIMLSAHDQJICRK-UHFFFAOYSA-N 435.432 5.319 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2sccc2C)c1 2331377193 VYGRDYKIAJWNJF-UHFFFAOYSA-N 441.626 5.175 30 10 IKEE CC(C)Cc1nnc(SCc2ccccc2F)n1N=Cc1ccc(Cl)c(Cl)c1 2331453840 RILRYQGJGACSSD-UHFFFAOYSA-N 437.371 6.097 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2C2CC2)cc1 2331726607 IYCWOEOPROTSCV-UHFFFAOYSA-N 438.572 6.038 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)ccc1OC(=O)C(C)(C)C 2331751984 MIVJZYINTBCNTQ-UHFFFAOYSA-N 430.928 5.903 30 10 IKEE C=CCCC[C@H](Cc1ccc(I)c(Br)c1)NCCC 2349788267 UUIZKQBKFRWECC-CQSZACIVSA-N 436.175 5.321 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C/c1ccc(-c3ccccc3)cc1)C2=O)c1ccccc1F 2244524 BTGVZXOJQDXOLZ-WGOQTCKBSA-N 436.438 6.328 30 10 IKEE COc1ccc(Br)cc1/C=C1\Oc2cc(OCc3ccccc3)ccc2C1=O 2439580 WELHJUZSJZZKPT-UUYOSTAYSA-N 437.289 5.653 30 10 IKEE COc1cc(/C=C2/N=C(SCc3ccccc3)SC2=O)ccc1OCc1ccccc1 2834974 IDHVZPHIXKUNDK-KGENOOAVSA-N 447.581 6.178 30 10 IKEE CCOC(=O)C1=C(Nc2cccc3ccccc23)S/C(=C\c2ccc3c(c2)OCO3)C1=O 6378669 QHQHLTCPWHOYGY-BKUYFWCQSA-N 445.496 5.112 30 10 IKEE CC(C)CCOc1cccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CCCC3)c1 14644678 POJQRUQQBVCBKH-UHFFFAOYSA-N 427.595 5.050 30 10 IKEE COc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@H](C)C3)[C@H]2c2ccccc2)cc1 17102304 PBICLIAEHRNSOA-DNOBIOAJSA-N 438.527 5.762 30 10 IKEE COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cc(F)ccc1F 20883598 GWKGQVCTOONWKY-QWXGXRTQSA-N 432.470 5.953 30 10 IKEE COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(F)ccc2F)c1 20885518 AZYOXAYXKGRIQV-AKJBCIBTSA-N 432.470 5.953 30 10 IKEE CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C\c2ccc(Oc3ccccc3)cc2)cc1 34771771 DIZBDXWPJIBTTP-UNOMPAQXSA-N 435.545 5.406 30 10 IKEE CC[C@H](Sc1cc(-c2ccccc2)nc(C)n1)C(=O)Nc1sc2c(c1C#N)CCCC2 40171948 AXFZQOCFBCQQGK-FQEVSTJZSA-N 448.617 5.773 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccccc4C)cc(C)c3C2=O)c(OC)c1 41284830 KSCIVBVFFZWXMY-FMCGGJTJSA-N 430.456 5.156 30 10 IKEE COc1cccc2cc(C(=O)Oc3cc(C)c4c(c3)O/C(=C\c3ccc(F)cc3)C4=O)oc12 41354001 LZJWRURJXJPSAJ-NHDPSOOVSA-N 444.414 5.724 30 10 IKEE COc1ccc2c(c1)c(/C=C1\Oc3c(CN4CCC(C)CC4)c(O)cc(C)c3C1=O)cn2C 41512899 AHSBPDZIJYQEEW-MSXFZWOLSA-N 446.547 5.049 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(CN3CCN(c4ccccc4)CC3)c(O)cc(C)c2C1=O 41585113 SDCQSRUTAPJMTJ-JCMHNJIXSA-N 446.572 5.009 30 10 IKEE Cc1cc(/N=C/c2ccc(-c3ccc(C)c(C(=O)O)c3)o2)ccc1I 59104334 SQFRKXWBIUFRSD-SSDVNMTOSA-N 445.256 5.617 30 10 IKEE O=[N+]([O-])c1ccc(N/N=C/c2cc(Cl)ccc2OCc2ccccc2)c([N+](=O)[O-])c1 59145682 ASZGKTYUFJWRRZ-WSDLNYQXSA-N 426.816 5.181 30 10 IKEE Clc1ccccc1CSc1n[nH]c(N/N=C/c2c3ccccc3cc3ccccc23)n1 59310053 DPICLBSFEUEENZ-VULFUBBASA-N 443.963 6.503 30 10 IKEE CCCCCCCOc1ccc([C@@]2(C)Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc1 100140900 CFQIBYMZCWICCF-KCWPFWIISA-N 436.596 5.955 30 10 IKEE CCCCCCCOc1ccc(NC(=O)Nc2ccc(OCCCCCCC)cc2)cc1 100274610 DBLGZQMFCHBQSF-UHFFFAOYSA-N 440.628 8.029 30 10 IKEE O=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 101010943 SWBZTRHTCCTJGS-CQSZACIVSA-N 445.281 5.206 30 10 IKEE Cc1nc(N2C(=O)C(=O)/C(=C(\O)c3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)sc1C 103221426 MXMUOWKXALQQEG-AGGMBTAESA-N 432.545 5.510 30 10 IKEE COc1ccc(/C=C2/Oc3cc(OCc4c(F)c(F)c(F)c(F)c4F)ccc3C2=O)cc1 110527335 OHWXPAKDJYOROR-CAOOACKPSA-N 448.343 5.586 30 10 IKEE C[C@H](CCS)CCOc1c(Br)cc(Br)cc1Br 127128344 RYUXGUKIAKIEDI-QMMMGPOBSA-N 447.030 5.699 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccc(O)cc1 169961482 KOPJPUZNWMYNBL-HSZRJFAPSA-N 433.891 5.148 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2cccc(C)c2)c(C)c1 169970758 VABABQTVLAMMIW-XMMPIXPASA-N 443.499 5.109 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(OC(C)C)cc2)c1 169979339 NEJOEJXBEYIFLY-QHCPKHFHSA-N 435.520 5.003 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccs1 169986970 ADLVNPHLJUUSSP-NRFANRHFSA-N 449.915 6.239 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(OCC)c3)=C(O)C(=O)N2c2ccccc2)cc1 170028680 LPGFQGJBFJBWBI-XMMPIXPASA-N 443.499 5.267 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccc(C)o2)cc1 170102135 OEOUAECZCYUCGG-OAQYLSRUSA-N 437.879 5.029 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1cccs1)c1ccc2ccccc2c1 170155886 PPFBEIGWRHZMAX-QFIPXVFZSA-N 429.472 5.823 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2cccs2)cc1C 170158601 VDKZGKRXJQQBRP-HSZRJFAPSA-N 447.556 5.773 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccccn2)cc1C 170171994 YBUZLXJZOKPDND-VWLOTQADSA-N 438.527 5.360 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1ccncc1 170206380 OXONBKDBFCQNEC-XMMPIXPASA-N 440.543 5.779 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1cccc(OCC)c1 170217806 WOIFCKJEVNHCDZ-XMMPIXPASA-N 449.591 6.070 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1c[nH]c2ccccc12 170255200 FCCMGPGWRCLCGS-QHCPKHFHSA-N 432.520 5.334 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cccc(O)c1 170264371 LXKVNGIZJFPHNJ-QHCPKHFHSA-N 433.548 5.519 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@H]1c1ccccc1C 170276598 LASRSRYJWHFFPF-HSZRJFAPSA-N 435.564 5.680 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccco2)cc1C 170286071 ITQWQJIVNBWFKG-DEOSSOPVSA-N 445.515 5.777 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc3ccccc23)cc1 170369943 HVXMBNZCPRRKIC-AREMUKBSSA-N 449.506 5.940 30 10 IKEE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/Oc3ccc(C)cc3C2=O)c(C)c1 213993235 VTQHRSKDYIFSDM-WGOQTCKBSA-N 436.511 6.171 30 10 IKEE CC(=O)[C@]12O[C@](C)(c3ccccc3)O[C@H]1C[C@@H]1[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 263592574 AHBKIEXBQNRDNL-ZWDZRRBGSA-N 448.603 5.744 30 10 IKEE Cc1cccc([C@H]2C(c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)c1 526517077 PVVDMTWCCMGWTC-SANMLTNESA-N 438.527 5.959 30 10 IKEE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2cccc(C#N)c2)[C@@H]1c1cccc(C)c1 526521586 MPADDBQLVWSRIV-XMMPIXPASA-N 440.499 5.331 30 10 IKEE CCOc1ccc([C@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1OC 526522706 RVNRQRROJBQCQH-VWLOTQADSA-N 440.499 5.331 30 10 IKEE CCOc1cc(/C=N\n2cnnc2SCc2ccc(Cl)c(Cl)c2)ccc1OC 526812697 IKIVJDJJBIWZPG-RMORIDSASA-N 437.352 5.167 30 10 IKEE C=CCCN(C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(OC(C)C)cc1 586151295 SJJPBJJLSQAYFG-UHFFFAOYSA-N 435.589 5.830 30 10 IKEE C=C(C)CC[C@@H](NCCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 693688582 XLXUTOXCVLBFCV-HSZRJFAPSA-N 429.649 5.270 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCCc2ccccc21 698458781 QXJSXPDFQCYBLL-JOCHJYFZSA-N 427.342 5.946 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1cccc(OCc2ccccc2)c1 698490272 IAOTUYYWKXDYOB-XMMPIXPASA-N 444.531 6.281 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2ccc(Cl)c(Br)c2)cc1 698853821 UTVYZPCKVBYDHL-SFHVURJKSA-N 435.749 6.417 30 10 IKEE CCCCCCCCCC[C@H](O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 702446764 YUSWSOWZFCWVJQ-ZEQRLZLVSA-N 434.665 5.903 30 10 IKEE CN(C)C1(C)CCC(C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Br)CC1 715184835 VCSSFINPZRAJMC-UHFFFAOYSA-N 436.394 5.347 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCO[C@H](C(C)(C)C)C1 721578401 VSPWGAAXIYHEEI-UWJYYQICSA-N 437.378 5.678 30 10 IKEE C[C@@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@]43C)[C@H]1C/C(=C\c1ccc(Br)cc1)C2=O 1074740207 CTGFFXZZHKKDLF-REFWQGGGSA-N 441.453 7.444 30 10 IKEE C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@@]2(C)[C@@H]1CCc1ccoc1CN1CCCC[C@@H]1C 1565535504 KXDYHZVEOJTNPL-VXGARWPTSA-N 441.656 6.539 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)SC1=Nc1ccc(C)cc1 1772724998 JLNYRRRZBLYUMU-XKEFNESHSA-N 444.512 5.743 30 10 IKEE COc1ccc(/C=C2/SC(=Nc3cccc(C(=O)O)c3)N(C3CCCCC3)C2=O)cc1 1772738994 ZJXBPXHWRZWRCP-ZOQGDPGVSA-N 436.533 5.330 30 10 IKEE Cc1ccc(C(=O)C[C@@H]2SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1C 1772760192 YJCNVFWMEHWJAJ-VWLOTQADSA-N 442.584 6.329 30 10 IKEE CC(=O)[C@H](C=NOCc1c(Cl)cccc1Cl)C(=O)Nc1ccc(Cl)cc1Cl 1848352939 NPIVENQXQWFUMU-LBPRGKRZSA-N 448.133 5.647 30 10 IKEE Cc1ccc(-c2csc3nc(-c4ccncc4)n(Cc4cccc(C#N)c4)c(=O)c23)c(C)c1 1857804783 KCEQZFNKNKURDF-UHFFFAOYSA-N 448.551 5.724 30 10 IKEE C=C(C)Cc1c(C)nn(CCC(=O)N[C@@H](c2nc3ccccc3n2C(C)C)C(C)C)c1C 1860304866 BEADRKLBCGPMTE-RUZDIDTESA-N 435.616 5.453 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)[C@H](C)Oc1ccc(Cl)cc1 1861670402 OTQCKEDOEMLLGM-GHTZIAJQSA-N 425.013 5.259 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCCc2ccccc2)[C@H]1c1ccccc1)c1ccccc1Cl 1862429260 JGHOCWLZZXWBMJ-DEOSSOPVSA-N 445.946 5.941 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccc(C)cc2)cc1 1862441291 DTZMVCASYQYAFE-QHCPKHFHSA-N 431.919 5.735 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccccc1F)c1c(F)cc(F)cc1F 1862456997 FTSMNBWIEAYLFV-LJQANCHMSA-N 447.409 5.083 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1cccc(Cl)c1 1862470947 ZGJNJHJHNIAJDI-KZULUSFZSA-N 448.744 5.479 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc(Cl)c1 1862477143 SSEWXGCTSCHAKI-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc(N(C)C)cc2)cc1 1862477877 UMBCIZZEKKQSOA-IHLLOCCUSA-N 432.564 5.218 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccc(C(=O)O)cc2)cc1 1862479007 WHDSPOABDHCOES-UZUQRXQVSA-N 441.483 5.033 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2c(F)cccc2Cl)cc1 1862480640 LGIXAMGMAJYVAG-FQEVSTJZSA-N 441.911 5.628 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccccc2[N+](=O)[O-])c1 1862492635 WJLBGAUHCMUGPP-QHCPKHFHSA-N 448.519 5.513 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2ccc(F)cc2)cc1 1862529548 HPFKJYKRWUSYRJ-DEOSSOPVSA-N 429.491 5.475 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@H]2c2cccc(O)c2)cc1 1862533111 KLYLRNWFBWIEJQ-QHCPKHFHSA-N 447.918 5.387 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@H]2c2cccc(C)c2)cc1 1862533382 LZSFMZVTSZSXJB-DEOSSOPVSA-N 445.946 5.989 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2[C@H](C)CC)cc1OC 1862537745 CGRBIVMUIGBOPK-WAIKUNEKSA-N 437.536 5.033 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2Cc2ccncc2)cc1 1862543533 JKTVVKAZJPADGD-VWLOTQADSA-N 438.527 5.047 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862561733 XQLQYKROYQWDKF-VWLOTQADSA-N 446.591 6.083 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2ccccc2Cl)c1 1862595193 KRCNMCXQLWTRDQ-QFIPXVFZSA-N 433.891 5.133 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2ccncc2)c1 1862659930 GDRLNBPITUAACS-DEOSSOPVSA-N 426.516 5.292 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 1862666235 ZCSDUJMAQMNDTH-QFIPXVFZSA-N 434.492 5.239 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cccs2)cc1 1862679025 UGDWNSPOSLEVHS-JOCHJYFZSA-N 435.520 5.789 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1cccc(F)c1)c1ccc2ccccc2c1 1862714308 AIMZZPSFNXCVFX-XMMPIXPASA-N 438.458 5.152 30 10 IKEE Cc1ccc(NC2=C(c3ccccc3Cl)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1C 1863077421 MDRYKTFTNWPXPU-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(N(CC)CC)cc2C)=C(c2cccc3ccccc23)C1=O 1863225747 LUZXMFJDOXMPPB-UHFFFAOYSA-N 439.559 5.372 30 10 IKEE CCCCCCCCN1C(=O)C(NCCc2ccc(C)cc2)=C(c2ccc(OC)cc2)C1=O 1863671620 WHJYLNAHGQFQIF-UHFFFAOYSA-N 448.607 5.276 30 10 IKEE CC(C)c1nc(Nc2ccc(C#N)cc2)cc(N2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)n1 1868242750 QRADNDCZZDOOBM-VGSWGCGISA-N 431.515 5.321 30 10 IKEE Cc1ccc(-n2nnc(C#N)c2NC(=O)CCCOc2ccccc2C(C)C)cc1Cl 1870162146 NBBNANDILJVTBM-UHFFFAOYSA-N 437.931 5.022 30 10 IKEE C=CCn1cc(OCC(=O)Nc2ccccc2CC)c(=O)cc1CSCc1ccccc1 1870211538 HJFGDHOVDRXOOT-UHFFFAOYSA-N 448.588 5.048 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2C)c(CSc2ccc(C)cc2)cc1=O 1870251315 CNDOICSRUKLPBC-UHFFFAOYSA-N 449.660 7.155 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2Cl)c(=O)cc1CN1CCCCC1 1870340742 WAJGZYNLCSHKMC-UHFFFAOYSA-N 445.047 6.427 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2F)c(CN2CCC(C)CC2)cc1=O 1870414127 HAYUINQBDQJYII-UHFFFAOYSA-N 428.592 5.617 30 10 IKEE CCCCCCCCCCn1cc(OCC)c(=O)cc1CNc1ccc(Cl)cc1C 1870785680 WUZPFNKTCJDXGH-UHFFFAOYSA-N 433.036 6.962 30 10 IKEE CCCCCCCCn1cc(OCC(C)C)c(=O)cc1CNc1ccc(N(C)C)cc1 1870857904 LKUDXUYJKLGBES-UHFFFAOYSA-N 427.633 5.922 30 10 IKEE C=CCn1cc(OCc2cccc(C)c2)c(=O)cc1CNc1cc(Cl)cc(Cl)c1 1871069323 DIYFPDGVYBVZIY-UHFFFAOYSA-N 429.347 5.841 30 10 IKEE CCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1cccc(Cl)c1 1871253696 FXFSRORQXSFTHT-UHFFFAOYSA-N 435.955 5.755 30 10 IKEE Cc1ccc(CCN2COc3ccc4c(c3C2)O/C(=C\c2ccc(C(C)C)cc2)C4=O)cc1 1871347965 HJTWQENMUDOFAW-YUMHPJSZSA-N 439.555 6.129 30 10 IKEE CCOCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(Cl)c(Cl)c1)C3=O 1871350459 HBEQHCROXXLFDL-JAIQZWGSSA-N 434.319 5.188 30 10 IKEE Cc1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871366766 KVULLKFSZQEISF-KGECZUTASA-N 430.887 6.192 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OC(=O)c3ccc(C(F)(F)F)cc3)ccc2C1=O 1871375798 DLQNUTVTHVMTLG-WQRHYEAKSA-N 430.403 5.911 30 10 IKEE Cc1cc(OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc2c1C(=O)/C(=C/c1cccs1)O2 1871377404 JQQWHRXGTPOHQF-VQZJWSCISA-N 433.441 5.200 30 10 IKEE Cc1c(OC(=O)CC2CCCCC2)ccc2c1O/C(=C\c1ccc(Cl)cc1Cl)C2=O 1871380552 UZQNQLXLVYPVIB-MTJSOVHGSA-N 445.342 6.794 30 10 IKEE Cc1cc(O)c(CN2C[C@@H](C)O[C@H](C)C2)c2c1C(=O)/C(=C/c1ccc(Cl)c(Cl)c1)O2 1871395359 PAQZCJAOXXJMNL-XXHSQQAKSA-N 448.346 5.233 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCCOc4cccc(C)c4)cc(C)c3C2=O)c1OC 1871406004 FQHNKJRZVBOGFJ-IWIPYMOSSA-N 446.499 5.395 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871409199 ZLVLGINJNRJAMB-GEWRUKCFSA-N 433.891 5.671 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 1871801900 OULRPKWPDKLWNY-NRFANRHFSA-N 434.989 5.023 30 10 IKEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccccc1 1872443777 MVKDXHDUPYAIOL-QHCPKHFHSA-N 428.598 5.040 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(Cl)cc1C)C(C)C)S(=O)(=O)c1ccc(C)cc1 1872488733 QAKRRVAJNWLFQJ-QFIPXVFZSA-N 449.016 5.187 30 10 IKEE Cc1ccc(CC(=O)[C@H](C#N)c2nc(-c3cccc(Br)c3)cs2)cc1C 1872764554 PVIGDESGJXZRSO-SFHVURJKSA-N 425.351 5.608 30 10 IKEE CCc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc1 1872776614 SYUPLPRPLRMGLG-QHCPKHFHSA-N 432.589 6.531 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc4ccccc34)n2)c(OCC)c1 1872783467 AGLHNQCFTNCRFW-QFIPXVFZSA-N 442.540 6.251 30 10 IKEE CCCOc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3OC)cs2)cc1 1872784018 NQOMJXVFVMRPQU-FQEVSTJZSA-N 436.533 5.035 30 10 IKEE COc1c(Cl)cc(-c2csc([C@H](C#N)C(=O)C(Cl)(Cl)Cl)n2)cc1Cl 1872786150 ZPAAHJBISMIGMU-SSDOTTSWSA-N 444.554 5.672 30 10 IKEE COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1OC 1872786621 OKZIXYCBEZGYBK-MRXNPFEDSA-N 442.924 5.288 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(F)c(Cl)c2)cc2c(N3C[C@@H](C)C[C@@H](C)C3)ncnc21 1873666639 RLKNTSTUXDDVNJ-GASCZTMLSA-N 441.938 5.144 30 10 IKEE CCOc1ccc(/C=N/n2c(COc3cc(C)c(Cl)c(C)c3)nnc2SC)cc1 1874215328 GWCWWXLPHJJJSH-FSJBWODESA-N 430.961 5.130 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1ccc(OC)cc1 1874223976 MKQMIUMKVPLZQY-XIEYBQDHSA-N 436.581 5.021 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccccn1 1874299320 UKFPOAPHJLTHBC-MZJWZYIUSA-N 447.539 5.183 30 10 IKEE CCCOc1ccc(/C=N/n2c(CCc3ccc(OC)cc3)nnc2SCCC)cc1 1874307560 DBFOAAWKWABUAR-XIEYBQDHSA-N 438.597 5.245 30 10 IKEE Cc1ccc(/C=N/n2c(CCOc3ccccc3)nnc2SCc2ccccc2C)cc1 1874345157 ZHNYNYDSRAWUNN-OVVQPSECSA-N 442.588 5.691 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccccc1C(=O)O 1874438710 OVSGGGGGDWOABW-ZMOGYAJESA-N 442.972 5.393 30 10 IKEE Clc1ccc(CSc2nnc([C@H]3CCCO3)n2/N=C/c2c[nH]c3ccccc23)cc1 1874449900 OGSYFEZOPQYKQF-ORBAKXMTSA-N 437.956 5.439 30 10 IKEE CCOc1cc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2-c2ccco2)ccc1O 1874466790 BEROHVPUZGJRSK-AFUMVMLFSA-N 448.548 5.434 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1/N=C/c1cccc(Br)c1 1874476556 QLBRJYZQAJISFG-HYARGMPZSA-N 429.387 5.558 30 10 IKEE COc1cccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2C(C)(C)C)c1OC 1874484511 ZOXYHDGUGCPZAJ-AFUMVMLFSA-N 438.597 5.384 30 10 IKEE CC(C)Cc1nnc(SCc2cccc3ccccc23)n1/N=C/c1cccc(Cl)c1 1874490699 FYCAXGHRAUPKOO-CVKSISIWSA-N 434.996 6.458 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874507461 FCZBFKWLROQDDR-FSJBWODESA-N 443.960 5.584 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1OCC(=O)OCC(C)C 1874573230 CFKVVIIGCVQXTQ-JXMROGBWSA-N 437.319 5.476 30 10 IKEE Cc1ccccc1COc1ccc(Br)cc1/C=C/C(=O)c1ccc(F)cc1F 1874576924 NMCHOCWEJYFYED-UXBLZVDNSA-N 443.287 6.511 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)c(C)c1 1874579046 UHIGCXNNRXRWCN-WEVVVXLNSA-N 445.773 7.739 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2)cc1F 1874582305 IBXJWSLVTYBVMS-JXMROGBWSA-N 439.870 5.401 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)NC2CCCCC2)cc1F 1874582355 JZCCIACVBUMXRQ-JXMROGBWSA-N 445.918 5.212 30 10 IKEE CCOc1ccc(Br)cc1/C=C/C(=O)c1cc(OC)c(Cl)cc1OC 1874587596 VFEHVOBQZGMQHH-FNORWQNLSA-N 425.706 5.415 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccccc2OCC(=O)Nc2cccc(C)c2C)cc1C 1874590438 AGPSMNQBMDPGFT-BUHFOSPRSA-N 443.543 5.842 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2c(OCc3ccc(C)cc3)ccc3ccccc23)cc1C 1874590735 IBTGSDGODARPCG-CCEZHUSRSA-N 436.551 7.249 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)c(OC)c1OC 1874592636 ULSPUHOUQSEHRZ-GXDHUFHOSA-N 449.459 5.096 30 10 IKEE CCOC(=O)c1ccc(COc2cccc(/C=C/C(=O)c3cc(Cl)ccc3OC)c2)o1 1874600822 FLJURMAPYMCXHC-JXMROGBWSA-N 440.879 5.593 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OCc1cc(C)ccc1C 1874618177 NOZVPVLQOZXQDW-VAWYXSNFSA-N 430.544 6.413 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OCC(=O)Nc1ccc(C)cc1 1874635019 DBQSNAKPDQUJFG-XYOKQWHBSA-N 443.543 5.842 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OCCc2ccccc2)c(Cl)c1 1874639327 UORJMGWMQSHUHD-JXMROGBWSA-N 427.327 6.520 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OC(=O)COc1ccc(C)cc1C 1874702990 UINKEEYUJUZUGL-XYOKQWHBSA-N 430.500 5.501 30 10 IKEE O=C(Oc1cccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1)c1ccc2c(c1)OCO2 1874718648 KFDWJCOWJXOFMP-XBXARRHUSA-N 441.266 5.837 30 10 IKEE CC(C)(C)CC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 1875105115 FFYYBOGTFHMPLL-XBXARRHUSA-N 436.291 6.139 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1 1875111346 FSBHWDSEUIWVPU-DTQAZKPQSA-N 436.891 5.619 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3F)cc2Cl)cc1 1875120991 UMYCZVMONGEJIU-VZUCSPMQSA-N 426.846 6.296 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 1875122313 XKXLXLRVJYQVPJ-VZUCSPMQSA-N 437.835 5.372 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccccc3)c(Cl)c2)cc1 1875148764 UPHJEICGCJNYSA-OQLLNIDSSA-N 448.946 6.518 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc4ccccc34)cc2[N+](=O)[O-])cc1 1875155171 PJMKCVHEDUSPBZ-RVDMUPIBSA-N 437.451 6.172 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)Cc1ccccc1 1875157117 ULKSBSOHZBPVLG-MHWRWJLKSA-N 428.528 6.253 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(F)c3)cc2)c1 1875161963 PKZTWFXHHOCEKP-VZUCSPMQSA-N 438.426 5.026 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)c1cccnc1 1875164239 ZEURHLKEXQPCQB-JXMROGBWSA-N 435.426 5.212 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)c1cncc(C)c1 1875174739 GMBYMXBPFNYXSQ-VQHVLOKHSA-N 449.934 6.174 30 10 IKEE CCN(CC)c1cccc(OCC#CCNC(=O)c2c3ccccc3cc3ccccc23)c1 1891953292 BSHOCMNVUPSSFR-UHFFFAOYSA-N 436.555 5.651 30 10 IKEE C=CCC1([C@@H](NCC)c2ccc(F)cc2Br)CN(C(=O)OC(C)(C)C)C1 1898133550 QHPRCRSRIUXVBQ-KRWDZBQOSA-N 427.358 5.052 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)C23CC3)c1 1925705392 ALQZSTSIHFNHIF-XMMPIXPASA-N 427.545 5.172 30 10 IKEE C[C@H](NCCCONC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C#N)cc1 1937195777 DYGIYTUICNJPOM-IBGZPJMESA-N 441.531 5.069 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 1944593738 NGNAIABXSJUNBD-MHECFPHRSA-N 435.609 5.533 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CC[C@H]1NC(=O)OCc1ccccc1 1959029912 IHGWYIWRGQQGBQ-BWKNWUBXSA-N 435.524 5.088 30 10 IKEE C=CCCCCCC[C@H](NCCC)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2026003187 OFCWJQINAANHRX-ZEQRLZLVSA-N 432.649 5.991 30 10 IKEE CN(C)c1ccc(C=CC=NN=C2CC[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]23C)cc1 2040465357 KJCIEPRMJJUJPF-CPPNCWEISA-N 445.695 7.625 30 10 IKEE CCOc1cc(C=CC(=O)Nc2cccc(C#N)c2)ccc1OCCOc1ccc(F)cc1 2042442293 PZQHZNAREKGEGZ-UHFFFAOYSA-N 446.478 5.206 30 10 IKEE CC(C)(C)OC(=O)c1nn(Cc2ccc(C(F)(F)F)cc2F)c(C(F)(F)F)c1Cl 2079177670 QDRFFKXVOLEMAA-UHFFFAOYSA-N 446.750 5.717 30 10 IKEE CC(C)c1nn([C@H](c2ccc(C(F)(F)F)c(F)c2)C2CCC2)c(Br)c1C#N 2079970352 QUFAUPXHFBKGFZ-KRWDZBQOSA-N 444.270 6.188 30 10 IKEE Cc1cc(O)c([C@@H](n2nc(C(F)F)c(C=NO)c2Br)C2(C)CC2)cc1C 2080053416 ILVNEISQVNNVFA-OAHLLOKOSA-N 428.277 5.103 30 10 IKEE CCN[C@@H](CC#CC(C)(C)C)c1ccc(Br)cc1I 2142287693 NXWNRSSBLVVQHR-HNNXBMFYSA-N 434.159 5.144 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CC1)CC(Nc1cc(Br)cc(F)c1C#N)C2 2163690114 OSSDZTFZMULDSA-UHFFFAOYSA-N 438.341 5.051 30 10 IKEE COc1cc(Br)ccc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2165551716 QHYKCFSOZRQMFE-QGZVFWFLSA-N 435.293 5.603 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](Cc2ccc(Br)cc2)NCCC)C1 2183011003 IXQSMRAMCPRWSF-LJQANCHMSA-N 437.422 5.221 30 10 IKEE CNc1cccc(C#Cc2sc(Br)c(Br)c2Br)c1 2222447663 HFPONNDSFQCBAA-UHFFFAOYSA-N 449.993 5.477 30 10 IKEE C[C@@H](Nc1ccc(Br)cc1I)c1cccc(C#N)c1 2231664337 CIPOWEDLLXDBHZ-SNVBAGLBSA-N 427.083 5.098 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1cc(F)c(NC(=O)OC(C)(C)C)cc1F 2256273877 CLXIZAHYMSSBST-HSZRJFAPSA-N 446.538 6.126 30 10 IKEE CCN1C(=O)C(=Cc2ccc(-c3ccc(C(=O)O)cc3)o2)SC1=Nc1ccc(F)cc1 2294216890 MJXLWSRHRRLPKK-UHFFFAOYSA-N 436.464 5.408 30 10 IKEE CCC[C@@H](CCNC(=O)OC(C)(C)C)CC[C@@H](N)C#Cc1ccc(Br)cc1 2296304256 FDFROFWSHYZUOP-YLJYHZDGSA-N 437.422 5.239 30 10 IKEE O=C1C(=CN(C(=O)c2ccco2)c2ccc(Br)cc2)Sc2ccccc21 2296681275 DALYEYYKQBDCGB-UHFFFAOYSA-N 426.291 5.519 30 10 IKEE O=C1C(=O)N(c2cccc(Br)c2)[C@H](c2ccccc2)C1=C(O)c1ccccc1 2296767328 RTKMTWAHZZSDBE-HXUWFJFHSA-N 434.289 5.075 30 10 IKEE O=C1C(=Cc2cccnc2)Oc2cc(OC(=O)N(c3ccccc3)c3ccccc3)ccc21 2296867329 IUMGQZBDXQQQEU-UHFFFAOYSA-N 434.451 6.035 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 2302795824 MKZJIQVWGCELMO-CMKODMSKSA-N 429.561 5.322 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 2314429179 AFSRXGRIBQMIBU-UHFFFAOYSA-N 444.527 6.117 30 10 IKEE CC(=C1SC(=Nc2cccnc2Cl)N(c2ccccc2)C1=O)c1ccc(Cl)cc1 2314540722 WWFJGRCBQXPHME-UHFFFAOYSA-N 440.355 6.587 30 10 IKEE Fc1ccc(Br)cc1C=Nn1c(SCc2ccccc2F)nnc1C1CC1 2320853590 RZPSKHXWQFOGDK-UHFFFAOYSA-N 449.324 5.371 30 10 IKEE CCc1nnc(SCc2ccccc2C)n1N=Cc1ccc(OCc2ccccc2)cc1 2320940780 ZTCGVSZNSVRIOB-UHFFFAOYSA-N 442.588 5.902 30 10 IKEE CCCc1nnc(SCc2ccccc2)n1N=Cc1cccc(OCc2ccccc2)c1 2321766827 MRHGXCJGWMBORS-UHFFFAOYSA-N 442.588 5.984 30 10 IKEE COc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN([C@H](C)c2ccccc2)C4)cc1 2322092490 WSEFSVDOYUZZNY-GOSISDBHSA-N 427.500 5.533 30 10 IKEE CCCCCCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1sccc1C)C3=O 2322192743 XYDHVRRTMWLJMO-UHFFFAOYSA-N 425.594 6.494 30 10 IKEE O=C(COc1ccccc1C=CC(=O)c1ccc2ccccc2c1)Nc1ccc(F)cc1 2322312562 GZJZBEWCIMHQEQ-UHFFFAOYSA-N 425.459 5.893 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(F)c(C)c2)c1OCc1ccccc1F 2322634560 HCANGDLNDNHDEZ-UHFFFAOYSA-N 428.862 6.410 30 10 IKEE COc1ccc(C=CC(=O)c2cccc3ccccc23)cc1OCC(=O)NCc1ccco1 2323202847 SDRHAHNHHOOMSG-UHFFFAOYSA-N 441.483 5.033 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OCCc3ccccc3)c2)c(OCC)c1 2323283622 RCSBDDIVSSKEMQ-UHFFFAOYSA-N 446.543 6.010 30 10 IKEE CCOC(=O)c1ccc(COc2cc(C=CC(=O)c3c(C)cc(C)cc3C)ccc2OC)o1 2323302214 ZXYQOCBCLFLCJM-UHFFFAOYSA-N 448.515 5.865 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)c4ccc(C(F)(F)F)cc4)ccc3C2=O)cc1 2323351753 HGOAEBAUDBVHRK-UHFFFAOYSA-N 438.401 6.103 30 10 IKEE Cc1cccc(COc2ccc(C=CC(=O)c3ccc(-c4ccccc4)cc3)cc2Cl)c1 2323351830 NRIQFXYOKQPJES-UHFFFAOYSA-N 438.954 7.791 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(OC)c1OCc1cccc(C)c1 2323395975 DNPLADBFIQKMJY-UHFFFAOYSA-N 438.523 6.641 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OC(=O)c3ccc(C=CC(=O)O)cc3)c2C)C1=O 2323621235 HLUFGBRSFDEKSQ-UHFFFAOYSA-N 440.451 5.237 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2OC)cc(OC)c1OCc1ccc(Cl)cc1 2323718716 SMCVDMONGSIANN-UHFFFAOYSA-N 448.946 6.561 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Cl)c1OCc1ccc(Cl)cc1 2323756263 BSGLVFIAGZUXNG-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(=O)c4cccc(OC(C)C)c4)cc(C)c3C2=O)c1 2323808810 CBZIVXRTRFZTLN-UHFFFAOYSA-N 444.483 5.626 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 2324357048 MWNVSPPBEOGJQU-OAQYLSRUSA-N 443.543 5.464 30 10 IKEE N#C[C@@H](C(=O)C=Cc1ccc(Cl)cc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2324451231 PYIOAZRKBORROO-INIZCTEOSA-N 444.299 5.915 30 10 IKEE COc1ccccc1C=C1Oc2cc(O[C@H](C)C(=O)Nc3ccc(Cl)cc3)ccc2C1=O 2324609763 BQOQSZGELSRJQI-OAHLLOKOSA-N 449.890 5.371 30 10 IKEE COc1ccc(OC)c(C=CC(=O)[C@H](C#N)c2nc(-c3c[nH]c4ccccc34)cs2)c1 2324673169 GMOXQIHQWNRXOL-SFHVURJKSA-N 429.501 5.198 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCCOc4ccc(C(C)(C)C)cc4)ccc3C2=O)cc1 2324685781 RMOKOBUGKYVJFV-UHFFFAOYSA-N 428.528 6.367 30 10 IKEE Cc1cc(OCc2ccc(C#N)cc2)cc2c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O2 2324760670 UIWIBYPGRDFSNL-UHFFFAOYSA-N 436.294 6.369 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1cc(C)c2c(c1)OC(=Cc1sccc1C)C2=O 2325098691 WZBAEESDIQKPSL-LJQANCHMSA-N 442.577 6.262 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OCC(=O)Nc3ccc(F)c(F)c3)cc(C)c2C1=O 2325528774 DLZVGJLGFKJXPG-UHFFFAOYSA-N 441.455 5.277 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OC(=O)C12CC3CC(CC(C3)C1)C2 2325741515 YWACWAQHHKKMIR-UHFFFAOYSA-N 448.534 6.161 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1OC(=O)c1cc(C)cc(C)c1 2325746017 FZBYPKPALAMUHR-UHFFFAOYSA-N 442.555 6.725 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)c2cccc(C)c2)c1 2325756166 RZCWDUARGIZCMD-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE C=CCSc1nnc(COc2ccccc2Cl)n1N=Cc1cccc(OCC)c1 2327673953 JGOPCZWQMDFSCF-UHFFFAOYSA-N 428.945 5.070 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccccc3)n2N=Cc2ccccn2)CC1 2328156048 DICSUINNQZHYBV-UHFFFAOYSA-N 433.625 6.312 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2ccccc2F)n1N=Cc1ccc[nH]1 2328557125 KLNWAIQUTMMQEZ-UHFFFAOYSA-N 435.528 5.116 30 10 IKEE COc1ccc(CCc2nnc(SCCc3ccccc3)n2N=Cc2cccs2)cc1 2328578429 HXJREJJBWVCZGD-UHFFFAOYSA-N 448.617 5.350 30 10 IKEE CCSc1nnc(CCCOc2ccccc2)n1N=Cc1c(Cl)cccc1Cl 2328730320 NDOKOAXMDDAQBC-UHFFFAOYSA-N 435.380 5.591 30 10 IKEE Cc1ccc(CCc2nnc(SCCCO)n2N=Cc2cccc3ccccc23)cc1C 2328969763 QXEHVPWJNGCLBM-UHFFFAOYSA-N 444.604 5.190 30 10 IKEE Cc1cccc(CSc2nnc([C@@H](C)c3ccccc3)n2N=Cc2ccc(O)cc2)c1 2330074520 KHYWUZVTJJLYEO-IBGZPJMESA-N 428.561 5.618 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3ccc(C=CC(=O)c4ccc5c(c4)CCCC5)cc3)c(C)c2c1 2330679651 NFAMCEYCHPOVIL-UHFFFAOYSA-N 449.550 6.779 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1OC(=O)COC 2330819438 PGJYWSNLARJXEY-UHFFFAOYSA-N 443.710 5.493 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccncc3)c([N+](=O)[O-])c2)cc1 2330833699 LDHFIQKLPSNONV-UHFFFAOYSA-N 430.460 5.448 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)Cc1cc(C)ccc1C 2331080303 BSZNTVGFFOFQFL-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1ccc(Cl)cc1 2331142615 FWJIXTKCFKHVDT-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1OC(=O)c1cccc(F)c1 2331279584 RODQCPLNXBECCL-UHFFFAOYSA-N 449.434 5.556 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2OC)c1 2331331240 ZCHCVIFRDYQVJX-UHFFFAOYSA-N 430.500 5.826 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1ccc(N(C)C)cc1 2331377180 UQITUIZPMABRJR-UHFFFAOYSA-N 445.515 5.194 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OC(=O)C(C)(C)C 2331417868 WGEKYKJHGSVQOD-UHFFFAOYSA-N 442.983 6.884 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1cc(C)cc(C)c1 2331449344 POKKOKJEODTPJR-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE COc1ccc(C=Nn2c(CC(C)C)nnc2SCc2ccccc2Cl)c(OC)c1 2331456859 OJRYCPXQNATBJZ-UHFFFAOYSA-N 444.988 5.322 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2Cl)c1 2331493539 TWTQLAHHQMUEPT-UHFFFAOYSA-N 434.919 6.587 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)cc2)c(Br)c1)c1ccc(F)cc1 2331523585 IZROAMLZHYUBAM-UHFFFAOYSA-N 443.243 5.843 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)CC3CCCCC3)cc2)cc1C(C)C 2331571443 KXUOTFDHAINSOZ-UHFFFAOYSA-N 434.576 6.899 30 10 IKEE C=C(C)CSc1nnc(CCC)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2331649443 OWWHDUBFIRIFDM-UHFFFAOYSA-N 441.000 6.013 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(F)c(F)c2F)cc1 2331659510 QBXIHWFJTDQERX-UHFFFAOYSA-N 440.417 5.845 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc(OC)c1OC(=O)c1ccco1 2331660278 HXICBIHIFDGWRZ-UHFFFAOYSA-N 436.460 5.038 30 10 IKEE CC(C)c1nnc(SCc2cccc3ccccc23)n1N=Cc1ccccc1[N+](=O)[O-] 2331706218 MZLKTTJYGWCXBQ-UHFFFAOYSA-N 431.521 5.637 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2ccc(OC(=O)c3cnc(C)cn3)cc2)cc1Cl 2331804782 GEWJLZPUMCNGRW-UHFFFAOYSA-N 443.286 5.216 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(F)c(F)c2F)cc1 2331872687 DMJBWZDAWHFDJG-UHFFFAOYSA-N 446.808 5.881 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Cl)cc(Br)c1F 2337108951 KZGDKMKYNQEGAC-NVXWUHKLSA-N 449.792 5.752 30 10 IKEE C=CCC(CC=C)[C@H](NCC)c1ccc(I)c(Br)c1 2338737466 DNJQGTUSXHACHI-INIZCTEOSA-N 434.159 5.473 30 10 IKEE CC1(C)OB(c2ccc(Nc3ccccc3OCc3ccccc3)c(C#N)c2)OC1(C)C 2339442095 BNLGVRCMIRKVJU-UHFFFAOYSA-N 426.325 5.180 30 10 IKEE CC[C@@H](CCCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339596786 LWZYALHJMCGVPB-IQGVVSCOSA-N 446.397 5.189 30 10 IKEE CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1OC 20882060 KJXWZCAMVQCZOM-QLXKLKPCSA-N 446.572 6.135 30 10 IKEE CC(C)Oc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2c(F)cccc2Cl)cc1 21242031 VASOUMJEPHBDMS-WBVHZDCISA-N 427.903 5.271 30 10 IKEE N#CC1(c2ccc(NC(=O)c3ccc(-c4cc5ccccc5oc4=O)cc3)cc2)CCCC1 30826833 GUNRXHPYKIVPHZ-UHFFFAOYSA-N 434.495 6.048 30 10 IKEE CCn1nc(C)c(CN/C(=N/C(=O)c2cc(C)cc(C)c2)Nc2cccc(C)c2C)c1C 32972048 GRGDULUBEQWWOF-UHFFFAOYSA-N 431.584 5.152 30 10 IKEE O=C1C=CC2=C3Oc4c(ccc5cc(O)ccc45)[C@@H](c4ccccc4C(=O)O)[C@@H]3C=CC2=C1 33394735 VNHHOVLAMIJEAS-ZCYQVOJMSA-N 434.447 5.273 30 10 IKEE CCCCOc1ccc(C(=O)/C(=C\c2ccccc2OC)c2nc3ccccc3o2)cc1 34386786 CZRQXRRGBHIJGR-RELWKKBWSA-N 427.500 6.439 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2c2nccs2)c1 35521217 KBCUVJWSMJJOPH-GJCOWUBNSA-N 446.528 5.114 30 10 IKEE C=CCC[C@@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1 36307702 VHSWOMYBSSYUFI-JOCHJYFZSA-N 437.559 5.558 30 10 IKEE COC(=O)c1ccc(/C=C2\Oc3cc(OC(=O)c4cc5ccccc5o4)ccc3C2=O)cc1 41352673 JPLOMXSCQBUGAA-UUYOSTAYSA-N 440.407 5.055 30 10 IKEE COc1ccc2c(c1)c(/C=C1\Oc3cc(OC(=O)Cc4cccs4)ccc3C1=O)cn2C 41354788 BVQHQAPFUGXBSU-RMORIDSASA-N 445.496 5.013 30 10 IKEE Oc1ccc(/N=N/c2cccc(Br)c2)cc1/C=N/c1cccc(C(F)(F)F)c1 101097762 WKLNRBSPPMJBLY-YPAHDUIOSA-N 448.242 7.340 30 10 IKEE CCCCCCn1c(O)c(/N=N/c2ccc(/N=N\c3ccccc3)cc2)c(C)c(C#N)c1=O 101146189 GPJSIICVCCJRHV-UVWPASAXSA-N 442.523 7.145 30 10 IKEE CCCCCCCCCCn1c(CNC(=O)c2ccccc2Cl)nc2ccccc21 102217921 UIKKTUFDBQQPAI-UHFFFAOYSA-N 426.004 6.760 30 10 IKEE COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SC/C=C\c3ccccc3)n2)cc1 102731116 PGJMISBOGDTTCK-YVMONPNESA-N 426.463 6.453 30 10 IKEE CCCCCCOc1c(OC)cc(/C=N\Nc2nc3cc(C)ccc3[nH]2)cc1[N+](=O)[O-] 169893441 BJBHPOMCHOQPOJ-UCQKPKSFSA-N 425.489 5.193 30 10 IKEE CCN1C(=S)N[C@H](c2ccc(OCc3ccc(Cl)cc3)cc2)C2=C1CCCC2=O 169932939 UQVWKOQEFYLVCL-JOCHJYFZSA-N 426.969 5.177 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2cccc(C)c2)cc1 169968650 HDQYPOBTYGWZLK-XMMPIXPASA-N 438.483 5.268 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2cc(C)ccc2O)c1 169970885 JWUSTZSRDMRBKU-JOCHJYFZSA-N 433.891 5.445 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2ccc(F)cc2)c1 169972432 CVCJLQUTBMXFMS-DEOSSOPVSA-N 441.458 5.659 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc([N+](=O)[O-])cc2)=C(N2C[C@H](C)C[C@@H](C)C2)C1=O 169979151 DMNHOSGJLVSHSR-RTBURBONSA-N 441.572 5.013 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1cccs1)c1cc2ccccc2o1 169983869 MFDVGSPUWLWBDC-HXUWFJFHSA-N 437.423 5.555 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2cccnc2)cc1C 170002936 XLPHVGLOMKAURW-XMMPIXPASA-N 442.515 5.305 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@@H]2c2cccnc2)cc1C 170004694 SUXKRDFTCMVUDS-OAQYLSRUSA-N 436.870 5.274 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2ccccc2)cc1 170032647 DPMMSCBQTBMMQP-XMMPIXPASA-N 443.499 5.267 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2ccccc2)=C(N2CCc3ccccc3C2)C1=O 170041294 FYLHSRJZLCRYBM-UHFFFAOYSA-N 444.619 5.966 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccccc1 170052039 UXBFOZOMNFFJID-JOCHJYFZSA-N 447.874 5.160 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 170057909 BKRKUHNQEPURNJ-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2c[nH]c3ccccc23)cc1C 170075516 LMWXYOXOEBXQRV-RUZDIDTESA-N 436.511 5.876 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@H]1c1cccc(OC)c1 170120542 BNEJQPZYZKDCDZ-HXUWFJFHSA-N 443.927 5.044 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2CCOC(C)C)c1 170139918 QDAVDPKCUCSJDC-DEOSSOPVSA-N 449.591 5.604 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@@H]1c1ccc(OC(C)C)cc1 170152342 YFJBRZONNKOQFQ-NRFANRHFSA-N 443.927 5.124 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2cccs2)cc1 170156854 ODMFDNMUYXVDRM-HSZRJFAPSA-N 447.556 5.881 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2cccs2)c(C)c1 170160580 OVSFLGWZVLXYDT-QFIPXVFZSA-N 428.513 5.629 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccnc2)ccc1Cl 170189178 MCYQKTYNYCHUKG-JOCHJYFZSA-N 448.906 5.225 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccnc2)cc1 170192935 IWMMOCPFGYRQJZ-HSZRJFAPSA-N 446.503 5.022 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccncc2)cc1C 170204264 XSIOBWCRIMLBCT-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cccc(OCC)c1 170218354 YULFJUAZXLESFC-VWLOTQADSA-N 447.575 5.733 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1)c1cc2cc(Cl)ccc2o1 170223577 YCNBYBKREPFWMH-JOCHJYFZSA-N 447.849 6.008 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2)cc1 170226240 DGPUVYUQGHJDAT-VWLOTQADSA-N 441.527 6.039 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccccc2)c(C)c1 170226738 BWHFOGAPBHTJPU-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1cccc2ccccc12 170235196 SETPHNICRRAQSN-XMMPIXPASA-N 439.898 6.276 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@@H]1c1ccc(C(C)C)cc1 170245424 SGIINBYWJRYUHU-DEOSSOPVSA-N 449.591 6.104 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccccc1F 170253260 IERLBMKTMODWET-HSZRJFAPSA-N 439.527 5.629 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@@H]1c1ccc(CC)cc1 170267836 OYCCZKYGDDABAR-FQEVSTJZSA-N 442.353 5.308 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1C 170272313 QEALSHHFMMDPEI-JOCHJYFZSA-N 447.918 5.748 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(C)o1 170304202 LLPBLZCNWDTJNO-HSZRJFAPSA-N 447.487 5.167 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1sccc1C 170319377 ISCGPCDBNYTZDA-HXUWFJFHSA-N 427.566 5.612 30 10 IKEE Cc1cccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2nc3cc(C)c(C)cc3s2)c1 170462105 NBZZCKQUNXOJTR-FQEVSTJZSA-N 434.561 5.737 30 10 IKEE CC(C)COC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2cccs2)cc1 170476678 ZFOMGCQWHYKWOY-IBGZPJMESA-N 441.549 5.076 30 10 IKEE CCCCCCCCCCCCn1c(CNC(=O)/C=C/c2ccccc2)nc2ccccc21 205708237 KFHUNNPQXRBKQO-QURGRASLSA-N 445.651 7.287 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccc(Cl)c2)cc1 526486088 JRYWAMJFSPUZGS-DEOSSOPVSA-N 444.918 6.058 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(F)c1 526608746 NHZFRRAALXZFTD-NRFANRHFSA-N 439.273 6.061 30 10 IKEE CCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccc(Cl)c(Cl)c1 526811235 FRZPXRJYYRLHMB-YVNNLAQVSA-N 425.772 5.975 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)Cc2ccccn2)cc1 586179400 BBLZGSUDIATILM-UHFFFAOYSA-N 447.604 5.467 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)Cc2ccccn2)cc1 586179523 FPACHEGGTAODOE-UHFFFAOYSA-N 447.604 5.467 30 10 IKEE C=CCN(CC=C)C(=O)Nc1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)cc1 586681184 AHMRGYRTULPFKU-UHFFFAOYSA-N 448.548 5.277 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)cc(Br)cc1F 689351711 RYJKRCAMERKLRB-NVXWUHKLSA-N 433.337 5.237 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H](Nc3ccc(C#N)c(Br)c3)C(C)(C)[C@@H]21 693666557 KUXABNOJMCULTM-KBAYOESNSA-N 434.378 5.157 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 724029705 RMRZPFJAAKZDFS-UZUQRXQVSA-N 433.524 5.297 30 10 IKEE O=Cc1ccc(-c2ccc(Br)c(-c3cccc(C#Cc4ccccc4)c3)c2)cc1 725412556 FZBDKOUXCHRWNQ-UHFFFAOYSA-N 437.336 6.995 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(Br)c(Cl)s1 829346658 FPDVNLWZGWEMAW-AWEZNQCLSA-N 441.778 6.479 30 10 IKEE CN(C)c1ccc(C=Nc2cc(-c3ccc(Br)cc3)nn2-c2ccccc2)cc1 1084206993 YMXFZKGESSXEAC-UHFFFAOYSA-N 445.364 6.118 30 10 IKEE C[C@H](/C(=N/N(c1ccccc1)c1ccccc1)c1ccccc1)c1nc2ccccc2[nH]c1=O 1088708346 CDWIJKWXQNKXEF-VZNDNHDMSA-N 444.538 6.269 30 10 IKEE C=CCCCCn1c(-c2ccc(CC)cc2)nnc1N(C)Cc1nc(O)c2sccc2n1 1539952926 BKLMWBQAGJYTQU-UHFFFAOYSA-N 448.596 5.211 30 10 IKEE O=C1/C(=C\c2ccc3c(c2)OCO3)SC(=Nc2ccncc2Cl)N1c1ccccc1 1772738197 SMWIYOMEQYBEHA-YICNLQCZSA-N 435.892 5.272 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccccc2C)cc1C 1862400797 MXTFITPFDWUVPC-VWLOTQADSA-N 445.559 5.781 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(F)cc2F)=C(O)C(=O)N1CCC1=CCCCC1 1862411816 PQZRFCDZJFQXQU-HSZRJFAPSA-N 437.486 5.742 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCCC)cc1 1862438347 AHPCFAKISRHTIN-QFIPXVFZSA-N 441.955 5.897 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2cccs2)cc1 1862445112 ORJJFSQUIXENBE-NRFANRHFSA-N 437.948 5.742 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862445210 QWVAJJIZZJOGLH-DEOSSOPVSA-N 449.978 6.371 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cccc(Cl)c1)c1cccc(Cl)c1 1862446674 XZKCXHKUHJASKU-FQEVSTJZSA-N 430.331 5.904 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2ccc(Cl)cc2)cc1 1862476424 KYALVQWIADBPSO-HSZRJFAPSA-N 431.919 5.735 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccccc2F)c1 1862490061 NBVBZAPPQMPXEJ-XMMPIXPASA-N 435.539 6.134 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2cccc3ccccc23)c1 1862494570 NWPLNWWZWAGCQB-RUZDIDTESA-N 427.544 6.081 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc2c(c1)OCCO2 1862494961 RVMSLEFFXRKYKJ-XMMPIXPASA-N 449.547 5.233 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(OCCCCC)cc1 1862497875 VAOUVPRBQXNDDG-XMMPIXPASA-N 433.548 5.637 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2cccc(OCCC)c2)cc1 1862520133 ASGJTXLTYZXVGR-QHCPKHFHSA-N 437.536 5.251 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc(F)cc2F)cc1 1862535029 WAQYGOLQSGPGFR-YCASGBEESA-N 439.502 5.684 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C2CCCCC2)c1 1862613550 KHPHRHMXTDZGFZ-DEOSSOPVSA-N 431.576 6.204 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc2c(c1)CCCN2C 1862622749 HLVIJLMUTNMYNG-XMMPIXPASA-N 446.591 5.353 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)cc1 1862627064 JHFODNGQOVYJSN-AAORUROXSA-N 447.531 5.135 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@@H]1c1ccccc1)c1cccc2ccccc12 1862649440 YGYVUDHNSFRRLY-AREMUKBSSA-N 439.555 6.531 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc([N+](=O)[O-])c1 1862654200 KDRPRCNZTBBUQN-QFIPXVFZSA-N 430.460 5.126 30 10 IKEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(C)c2)cc1 1862674144 KFFRTNTUBUANPW-OSPHWJPCSA-N 445.490 5.482 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2Cc2cccs2)cc1 1862688600 XKSOLXCIGKQUEE-JOCHJYFZSA-N 433.529 5.098 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(C(F)(F)F)cc1 1862716765 NPPRUYNMMVKRMG-OAQYLSRUSA-N 437.417 5.623 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C(F)(F)F)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862897366 KJGHDONVTIDMPZ-UHFFFAOYSA-N 447.416 5.282 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cccc(C)c2)=C(c2ccccc2F)C1=O 1863293566 KQGFMEFCMCBUIG-UHFFFAOYSA-N 436.571 6.467 30 10 IKEE CCCCCCCCCCNC1=C(c2cccc3ccccc23)C(=O)N([C@@H](C)CC)C1=O 1863582217 HMASEQHLCAKZGE-NRFANRHFSA-N 434.624 6.449 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCOC(C)C)=C(c2cc(C)ccc2C)C1=O 1863740774 CTINCIPEEHCWAM-UHFFFAOYSA-N 428.617 5.149 30 10 IKEE CC[C@@H]1Cc2cc(OC)ccc2N(c2cc(Nc3cccc(C#N)c3)nc(C(C)(C)C)n2)C1 1868333434 JRLAZDNLDWVRQM-GOSISDBHSA-N 441.579 6.118 30 10 IKEE CN1CCN(c2cc(Nc3ccc(C#N)cc3)nc(C(C)(C)C)n2)C[C@@H]1c1ccc(F)cc1 1868355695 NVFGQESJAZKTNQ-JOCHJYFZSA-N 444.558 5.022 30 10 IKEE N#Cc1nnn(-c2ccc(Cl)c(C(F)(F)F)c2)c1NC(=O)c1ccc2ccccc2c1 1870147477 RRISNFHTERWUHU-UHFFFAOYSA-N 441.800 5.217 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)OC)c(=O)cc1CSc1ccccn1 1870264868 ABNIXUCVWOSMEA-UHFFFAOYSA-N 446.613 5.228 30 10 IKEE C#CCOc1cn(CCCC)c(CSc2nc3ccccc3n2-c2ccccc2)cc1=O 1870298808 LEOLTHBOZUBKHA-UHFFFAOYSA-N 443.572 5.292 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(CC)cc2)c(=O)cc1CN(CC)CC 1870465080 KYSZNAMBYOAKQT-UHFFFAOYSA-N 426.645 6.192 30 10 IKEE CCCCCCCCn1cc(OCC2CCCCC2)c(=O)cc1CN(CC)CCCC 1870482650 CARLGAZLIAISQG-UHFFFAOYSA-N 432.693 6.790 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCc2ccc(OC)cc2)cn1CCCCCC 1870606781 CJVKQICTIPFXAP-UHFFFAOYSA-N 438.612 5.233 30 10 IKEE C=CCn1cc(OCCOc2ccc(C)cc2)c(=O)cc1CNc1ccc(Cl)c(C)c1 1871213205 QSTDBZXRPRXMND-UHFFFAOYSA-N 438.955 5.374 30 10 IKEE CCc1ccccc1NCc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCC(C)C 1871252198 ONZUVDXLWTURMY-UHFFFAOYSA-N 429.564 5.520 30 10 IKEE CCCCCCCCN=c1nc2c(cnn2C)c(Nc2ccccc2Br)[nH]1 1871295017 ATAZQOAEXPQJMQ-UHFFFAOYSA-N 431.382 5.064 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4C)cc(C)c3C2=O)cc1 1871372110 ABEWCQWQNAILSZ-UUYOSTAYSA-N 429.428 5.355 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OC(=O)c4ccc(C)c(C)c4)ccc3C2=O)c2ccccc21 1871372685 FXNJIQKNDUJXNP-WGARJPEWSA-N 437.495 6.113 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OC(=O)c3ccc(OC(=O)C(C)C)cc3)ccc2C1=O 1871391175 UDJHZOKGFLBOLJ-BKUYFWCQSA-N 448.496 5.453 30 10 IKEE Cc1cc(O[C@H](C)C(=O)OC(C)C)cc2c1C(=O)/C(=C/c1ccccc1Br)O2 1871400566 FISSKOFZZQYWOH-SAGYFLTASA-N 445.309 5.093 30 10 IKEE Cc1c(O[C@H](C)C(=O)Nc2ccc(F)cc2)ccc2c1O/C(=C\c1ccc(F)cc1)C2=O 1871400810 LUYZYZHDBOQODY-VUZLNAKASA-N 435.426 5.295 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccc(C)c(Cl)c4)ccc3C2=O)c1 1871402549 WHSVIXHJYOSACR-SAMUYDCASA-N 447.918 5.979 30 10 IKEE Cc1c(Cl)cccc1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O 1871407812 RRZURLXNVJXSQF-YOBACFSGSA-N 433.891 5.671 30 10 IKEE COc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O 1871410384 ZMYHRTUJPSPJLF-WQKDKYNYSA-N 449.890 5.371 30 10 IKEE C[C@@H](Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O)C(=O)Nc1ccc(C#N)cc1 1871436298 UHGPQQZJABOJFA-HQXWYHRWSA-N 444.874 5.234 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccc(C)c(C)c3)cc(C)c2C1=O 1871458914 FVYOFHCTONTFJZ-CFRMEGHHSA-N 443.499 5.254 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)c1C 1871459220 LTUNSJGLSBRKKB-WGARJPEWSA-N 441.527 6.061 30 10 IKEE COc1ccccc1/C=C1\Oc2c(ccc(OCC(=O)Nc3cc(C)ccc3C)c2C)C1=O 1871460525 RHOXKYAYTGVCEX-OYKKKHCWSA-N 443.499 5.254 30 10 IKEE CCCCCCCCN=c1nc(N2CCC[C@@H](C)C2)[nH]c(=Nc2ccccc2C(C)C)[nH]1 1871495011 DTNZRNUHSYXDNJ-OAQYLSRUSA-N 438.664 5.591 30 10 IKEE CCCCCCCCN=c1nc(N(CC)CCCC)[nH]c(=Nc2ccc(C)cc2C)[nH]1 1871602170 DULUYWUISXSGFE-UHFFFAOYSA-N 426.653 5.475 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1C)[C@@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872441726 SDHSUNKUVIINSX-MHECFPHRSA-N 442.625 5.232 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NS(=O)(=O)c1ccc(C)c(C)c1)[C@H](C)CC 1872612382 CJXMYOAEDIJWMB-XXBNENTESA-N 438.678 5.253 30 10 IKEE N#C[C@@H](C(=O)/C=C\c1ccc(Cl)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872759219 HOJYQLSPZVMPDL-KZIPJVBGSA-N 440.955 7.020 30 10 IKEE CC(=O)Nc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 1872772289 CBUBPVLRYBSWIM-NRFANRHFSA-N 431.561 5.485 30 10 IKEE COc1ccc(OC)c(CC(=O)[C@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)c1 1872773021 JOUZENVFJDGJLX-FQEVSTJZSA-N 434.561 5.544 30 10 IKEE COC(=O)c1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)cc1 1872788063 WGFAVFKATOWHBF-OSICKASQSA-N 446.528 5.112 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2C)C(=O)N(CCCCCCCC)C1=O 1873104409 XSJILACZDUXJIV-UHFFFAOYSA-N 426.645 6.386 30 10 IKEE Cc1cc(C)cc(CSc2nnc(C)n2/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 1873501888 URVLZOZJUKQGSJ-ZMOGYAJESA-N 447.520 5.546 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(-c3ccccc3C)cc2)cc2c(NCC(C)C)ncnc21 1873602963 QUFXCITXCPXXKL-UHFFFAOYSA-N 439.563 5.913 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(Cl)c2C)cc2c(NCc3ccccc3)ncnc21 1873608505 FPQLXIIDAKCTCD-UHFFFAOYSA-N 431.927 5.444 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)c(F)c2)cc2c(NCc3cccc(C)c3)ncnc21 1873617281 IFHJZMQWOOPRGD-UHFFFAOYSA-N 429.499 5.238 30 10 IKEE C=CCn1c(C(=O)Nc2ccccc2CC)cc2c(NCCC3=CCCCC3)ncnc21 1873639524 XEVNFFWGZXVVQB-UHFFFAOYSA-N 429.568 5.734 30 10 IKEE N#Cc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCCC3)C23CCCC3)cc1 1873867387 OXQKUYBPXQHFPU-DEOSSOPVSA-N 427.548 5.382 30 10 IKEE CCSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874252470 NXAWXOLKFSHNST-ZVHZXABRSA-N 449.407 5.899 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1c(F)cccc1Cl 1874253870 OZGLNGBOBSEYPZ-MFKUBSTISA-N 444.963 5.551 30 10 IKEE C=CCSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccc(C(C)C)cc1 1874267548 CNDOUEJBCOBQSD-ZVHZXABRSA-N 426.973 5.794 30 10 IKEE Cc1cccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2F)c1C 1874323273 HDYOSNJNCBJWEI-JFLMPSFJSA-N 446.551 5.788 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)cc3)n2/N=C/c2sccc2C)cc1 1874387482 POFROSXODYQHLS-MFKUBSTISA-N 432.618 6.030 30 10 IKEE CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874391800 TWTNEUZWJOTZAD-WYZSWBMLSA-N 442.544 5.253 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3ccccc3F)nnc2-c2ccccc2)c1 1874428560 OTDYPVGIRPJCDZ-WGOQTCKBSA-N 432.524 5.657 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1c(OC)ccc2ccccc12 1874503950 CYCBGZPOWGQEKQ-WGOQTCKBSA-N 430.577 5.875 30 10 IKEE C=C(C)CSc1nnc(C)n1/N=C/c1ccc(OCc2ccccc2C)c(OCC)c1 1874532700 WNUKFJXCCNKCFK-AFUMVMLFSA-N 436.581 5.423 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(F)c(F)c2)c1OCc1ccc([N+](=O)[O-])cc1 1874585095 LPYBXEBMGVXKIN-XYOKQWHBSA-N 425.387 5.357 30 10 IKEE COC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(OC)c2ccccc12 1874591910 IGQKQVFGQQGUSK-WYMLVPIESA-N 426.468 5.450 30 10 IKEE CCc1ccc(NC(=O)COc2cccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)c2)cc1 1874594083 QXHGWLIHLQQIJK-SFQUDFHCSA-N 439.555 6.041 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3cccc(C)c3C)c2)cc1 1874596115 NNIITLKMNRJJBE-LFIBNONCSA-N 443.543 6.006 30 10 IKEE Cc1ccccc1COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1Br 1874611236 DDOQBGDRSHOEJE-UXBLZVDNSA-N 443.287 6.511 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1Cl 1874614095 DKYSXVARAWFJDZ-NTUHNPAUSA-N 427.327 6.867 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OCc3c(Cl)cccc3Cl)cc2)c1 1874619107 JRGRKGYZLOSZSH-XYOKQWHBSA-N 443.326 6.486 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3cc(C)ccc3OC)cc2)cc1 1874620027 FKHRENGRCIJHCO-XNTDXEJSSA-N 429.516 5.480 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC(=O)Cc2ccc(F)cc2)c1 1874715457 ALIZBRLTPGZWBE-RVDMUPIBSA-N 430.519 6.476 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1 1875094606 ADBUZPMPSFSJCO-RIYZIHGNSA-N 442.898 6.617 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3cccs3)c(OC)c2)cc1 1875103594 HAPFKTBZVJZKCC-DHZHZOJOSA-N 426.921 6.088 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl 1875129052 IQKVDISIVOSQPM-NGSBPTJYSA-N 432.903 5.954 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)cc3)c([N+](=O)[O-])c2)cc1 1875130051 HURMKPILDRSNDD-RIYZIHGNSA-N 445.471 5.346 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)CC1CCCCC1 1875137713 AHAKBIUBSSWXJL-OUKQBFOZSA-N 436.548 6.093 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)cc2OC)cc(OC)c1OC(=O)c1ccco1 1875178215 ZAVMXKVSJKNGHW-FMIVXFBMSA-N 448.471 5.149 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1cccc(C)c1 1875183768 RMCCFKUGLPGPAY-ZRDIBKRKSA-N 428.528 6.434 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(F)c3)cc2)c2ccccc12 1875191000 WSLDHYLJVHXBBN-RVDMUPIBSA-N 426.443 6.103 30 10 IKEE COC(=O)c1cc(N=[N+]=[N-])cc(N(C)C(=O)OCC2c3ccccc3-c3ccccc32)c1C 1887521538 YRDRVZGXRMYZIG-UHFFFAOYSA-N 442.475 6.109 30 10 IKEE O=C(Nc1cccc(Br)c1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1889902723 LQROKOITGIYZTL-UHFFFAOYSA-N 430.117 5.878 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](O)c1cccc(Br)c1Cl 1922047222 PTFOORWCUFNELE-RTWAWAEBSA-N 438.793 5.277 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1CCC(C)(C)CN1C(=O)OC(C)(C)C 1922069109 NXYBHNCHQRTDEK-XZOQPEGZSA-N 430.633 5.553 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@]1(C#N)CCCCN(Cc2ccccc2)C1 1980547141 DRKXGMGGZYPSTJ-DEOSSOPVSA-N 425.598 5.434 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC[C@@]2(C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C1 2009500963 ZBIIPEVKKPPWSR-QHCPKHFHSA-N 447.963 5.375 30 10 IKEE C=C(COCc1ccccc1)[C@H](NC)[C@@H](NC(=O)OC(C)(C)C)C1CCC(F)(F)CC1 2016133751 XXACPAWHBYBQDS-SFTDATJTSA-N 438.559 5.066 30 10 IKEE Cc1sc(C)c([C@H](C#N)N(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)c1Br 2032033463 XCYMXSZZBYGVAE-KBPBESRZSA-N 429.380 5.108 30 10 IKEE CC(C)N[C@@]1(C#N)CCC[C@@H](CN(CCN(C)Cc2ccccc2)Cc2ccccc2)C1 2034739853 QUJKQICHTSBTFY-IZLXSDGUSA-N 432.656 5.071 30 10 IKEE O=C1C(=Cc2ccc(F)cc2)CC2(CC1=Cc1ccc(F)cc1)C(=O)Nc1ccccc12 2040807802 LRJRMZRQLYDBFT-UHFFFAOYSA-N 427.450 5.685 30 10 IKEE Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)C=Cc1ccc(N(C)C)cc1 2042452729 CCHQAHAGXCKWPP-UHFFFAOYSA-N 426.947 6.826 30 10 IKEE Cc1ccc(Sc2ccc(C=C3CCc4c(C)cc(C)cc4C3=O)cc2[N+](=O)[O-])cc1 2053613206 YTNJANKVPNWBIP-UHFFFAOYSA-N 429.541 6.884 30 10 IKEE CCOC(=O)c1c(C(C)(C)C)nn(-c2cccc(C(F)(F)F)c2F)c1C(F)(F)F 2079040821 SLPGDPOKIGRAMJ-UHFFFAOYSA-N 426.332 5.523 30 10 IKEE CC1(c2nn([C@H](c3ccc(C(F)(F)F)cc3)C(C)(C)C)c(Br)c2C#N)CC1 2079883326 AMMPRXJSQKZABQ-MRXNPFEDSA-N 440.307 6.223 30 10 IKEE CSc1ccc([C@H](C(C)C)n2nc(C(C)C)c(C#N)c2I)cc1 2080105937 QWGIEZUNRZOJNV-KRWDZBQOSA-N 439.366 5.450 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 2082160774 JRKVIFASZHRVQQ-HHJKRLRDSA-N 443.588 5.712 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)C2(C#N)[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)cc1 2099266375 PFEJMMTXQMWJJA-SFTDATJTSA-N 449.595 5.487 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](Cc2ccc(Br)cc2Cl)NC)C1 2126684617 JJFOGWIPNVVUAW-KRWDZBQOSA-N 443.813 5.094 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(F)c(Br)c(F)c1 2142155627 LGBXXTOJEVMBFZ-RDJZCZTQSA-N 433.337 5.237 30 10 IKEE CCN(Cc1cccc(Nc2cc(Br)cnc2C#N)c1)C(=O)OC(C)(C)C 2167617110 OOAUETBWSPXXIY-UHFFFAOYSA-N 431.334 5.216 30 10 IKEE C=CCCCCCCC[C@H](NCC)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2214615774 RGJSNLHTZNZSJB-ZEQRLZLVSA-N 432.649 5.991 30 10 IKEE CN[C@H](C#Cc1ccccc1Br)c1cccc(NC(=O)OC(C)(C)C)c1C 2235723782 HVANPWFJUOPZHP-HXUWFJFHSA-N 429.358 5.417 30 10 IKEE C=CC1(C[C@@H](NC)[C@H](Cc2ccc(Br)cc2)NC(=O)OC(C)(C)C)CCC1 2237397409 CAUMWBNINOQXQS-RBUKOAKNSA-N 437.422 5.219 30 10 IKEE C#CCCCCC[C@@H](NC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237398193 KSEYACQADDRSID-UXHICEINSA-N 437.422 5.057 30 10 IKEE CC#CCCCC[C@@H](NC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237430531 DUNQQUFLFPJOQV-UXHICEINSA-N 437.422 5.057 30 10 IKEE C=C1C[C@@H]1COc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C(=O)O)c1 2243588369 BRLODHHJBHLOHR-QGZVFWFLSA-N 441.483 5.701 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)cc(C(C)C)c1 2265993659 ZEFSEKFIWBQMLZ-OALUTQOASA-N 425.411 5.693 30 10 IKEE CCC#CC[C@@H](OCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2275030318 MNAWLWFHPBIEND-RUZDIDTESA-N 444.527 5.790 30 10 IKEE CC(C)(C)OC(=O)NC1C[C@@H]2CCC[C@H](C1)C2Nc1ccc(Br)c(C#N)c1 2285768771 DWWPFMGVVRWUIZ-BQIGGSFXSA-N 434.378 5.205 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(Nc2ccc(Br)cc2)C[C@H]1C(F)(F)F 2294636979 PPKMJXSWVZKOAU-WMLDXEAASA-N 448.283 5.085 30 10 IKEE Cc1cccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)c1 2296114345 XXNYPZYFQKYNGI-DEOSSOPVSA-N 440.455 5.086 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)C[C@H](CCC)NC(=O)OC(C)(C)C 2296300579 KEZNEXNIXKFTLZ-PMACEKPBSA-N 437.422 5.252 30 10 IKEE CCCCCCCCOc1ccc(C=C2SC(=Nc3cccc(C)c3C)NC2=O)cc1 2296882317 ONSUEHPOAPMAFD-UHFFFAOYSA-N 436.621 6.934 30 10 IKEE O=C1C(=O)N(c2ccc(F)cc2)[C@H](c2cccc(F)c2)C1=C(O)c1ccc(Cl)cc1 2297060131 DNOPMMFDKDKMMA-HXUWFJFHSA-N 425.818 5.245 30 10 IKEE CCOc1ccc(C=C2CSC(=Cc3ccc(OCC)c(OC)c3)C2=O)cc1OC 2297337331 IHNGRUIGEDESGY-UHFFFAOYSA-N 426.534 5.242 30 10 IKEE COc1ccccc1CN1Cc2cc3c(C)ccc(C)c3nc2SC1=NC[C@@H]1CCCO1 2297506846 YAFRQDZKKMPZOU-NRFANRHFSA-N 447.604 5.503 30 10 IKEE CCCCOc1ccc(C=CC(=O)Nc2sc(=S)c3c(c2C#N)CC[C@H](C)C3)cc1 2314792610 BBPVLKKMXGUALD-INIZCTEOSA-N 438.618 6.305 30 10 IKEE C[C@@H]1CC(C#N)(N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)C[C@@H](C)S1 2317651199 DSHJEGSSWFEHRZ-ZIAGYGMSSA-N 425.392 5.757 30 10 IKEE COc1ccc(CCN2COc3ccc4c(c3C2)OC(=Cc2ccc(Cl)cc2)C4=O)cc1 2321937344 FJASPMRYXGKHQG-UHFFFAOYSA-N 447.918 5.359 30 10 IKEE CCCCCN1COc2ccc3c(c2C1)OC(=Cc1cc(Cl)cc2c1OCOC2)C3=O 2322046655 RHZNRYVIZISPNG-UHFFFAOYSA-N 441.911 5.165 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(S)nnc2CCc2cccc3ccccc23)cc1 2322203179 FRNRYTGKHVIDEC-UHFFFAOYSA-N 429.593 5.234 30 10 IKEE COc1ccc([C@H](C)N2COc3cc(C)c4c(c3C2)OC(=Cc2cccs2)C4=O)cc1 2322239869 PFUZDQLPPDQGPG-INIZCTEOSA-N 433.529 5.594 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)cc1 2322456843 FXBKLYFCRYKDSL-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE O=C(C=Cc1cc(Br)ccc1OCc1cccc(Cl)c1)c1ccccc1 2322542587 PPGXFRQNRJKMAP-UHFFFAOYSA-N 427.725 6.578 30 10 IKEE O=C(C=Cc1c(OCc2c(Cl)cccc2Cl)ccc2ccccc12)c1ccccc1 2322545513 MIBZXGHBZPHANM-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE CCCOC(=O)COc1c(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cccc1OC 2322801078 IFIUNSKZQDFKCC-UHFFFAOYSA-N 440.536 5.364 30 10 IKEE C=C(C)COc1c(C=CC(=O)c2cc(C)cc(C)c2OC)cc(Br)cc1OC 2322856679 YXFZJVGDLFQWPN-UHFFFAOYSA-N 445.353 5.934 30 10 IKEE COc1cccc2cc(C(=O)Oc3ccc4c(c3)OC(=Cc3ccc(F)cc3)C4=O)oc12 2322856898 IHIJNZIISMZHTD-UHFFFAOYSA-N 430.387 5.416 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)COc4ccccc4OC)cc(C)c3C2=O)cc1 2323126480 YZWGXNYTDVZVGV-UHFFFAOYSA-N 444.483 5.167 30 10 IKEE Cc1c(OC(=O)c2ccc(Cl)c(Cl)c2)ccc2c1OC(=Cc1ccccc1)C2=O 2323259541 TWMBCJLVTARQHD-UHFFFAOYSA-N 425.267 6.137 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)ccc1OCC(=O)Nc1cccc(C)c1 2323503345 NAIDVXDVMDDABU-UHFFFAOYSA-N 445.515 5.316 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)ccc1OCC(=O)Nc1ccccc1F 2323627073 ARZMOILUESXLBD-UHFFFAOYSA-N 439.870 5.401 30 10 IKEE Cc1c(OC(=O)CCOc2ccccc2)ccc2c1OC(=Cc1ccccc1Cl)C2=O 2323686641 YFBSCYXOLKQFFB-UHFFFAOYSA-N 434.875 5.639 30 10 IKEE Cc1cc(O)c(CN2CCOc3ccccc32)c2c1C(=O)C(=Cc1ccc(C(C)C)cc1)O2 2324155901 NFGSNTFMRDWVKC-UHFFFAOYSA-N 441.527 5.839 30 10 IKEE C=CCOc1c(CC=C)cc(C=CC(=O)c2cc(OC)c(Cl)cc2OC)cc1OC 2324416585 LIPZBUCQSHVNFR-UHFFFAOYSA-N 428.912 5.555 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc(C)cc3)c([N+](=O)[O-])c2)cc1Cl 2324612141 MKZDWHOQWWUJHG-UHFFFAOYSA-N 437.879 6.040 30 10 IKEE O=C1C(=Cc2c(F)cccc2Cl)Oc2cc(OCCOc3ccccc3F)ccc21 2324850973 FPERJAUPCZPMBB-UHFFFAOYSA-N 428.818 5.692 30 10 IKEE CCCOc1ccc(C=Nn2c(CCC)nnc2SCc2ccccc2)cc1OCC 2324965323 BHHIWHDSTFEIKG-UHFFFAOYSA-N 438.597 5.593 30 10 IKEE COc1cccc(C=Nn2c(Cc3ccccc3)nnc2SCc2cccc(C)c2)c1 2325471357 KATDYMAHDVDPQU-UHFFFAOYSA-N 428.561 5.360 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(Cl)c(Cl)c1 2325513166 NCSXGBBMYBMPRQ-UHFFFAOYSA-N 437.371 6.241 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccc(C(C)(C)C)cc3)ccc2C1=O 2325552417 IWFDRWZWCKELTQ-UHFFFAOYSA-N 441.527 5.926 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C=CC(=O)c3cccc(OC)c3)ccc2OC)cc1 2325706389 UUFTXFDMDQDKGG-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE COc1ccc(CC(=O)Oc2cc(C=CC(=O)c3ccc(OC)c(C)c3)ccc2OC)cc1 2325713191 RWGGZZBKJGUGJN-UHFFFAOYSA-N 446.499 5.065 30 10 IKEE Cc1cc(OCC(=O)Nc2ccccc2Cl)cc2c1C(=O)C(=CC=Cc1ccccc1)O2 2325718417 WBRONBRWPGSITL-UHFFFAOYSA-N 445.902 5.838 30 10 IKEE O=C(COc1ccc(Cl)cc1)Oc1cccc(C=CC(=O)c2cccc(Cl)c2)c1 2325728469 FMZQZICEKJBNIU-UHFFFAOYSA-N 427.283 5.874 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OC(=O)Cc1ccc(F)c(C)c1 2325739834 HMPGWZSKPKEFIH-UHFFFAOYSA-N 432.491 5.804 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OC(=O)[C@H](C)c1ccccc1 2325750420 UEJHWRWDNLGNTN-HXUWFJFHSA-N 428.528 6.424 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccncc3)c2)c1 2325757983 ZFLUCHJPDYERKT-UHFFFAOYSA-N 447.487 5.003 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)COCc2ccccc2)c1 2325783472 NPWQBTLEUBBJMY-UHFFFAOYSA-N 436.891 5.367 30 10 IKEE Cc1ccc(COc2ccccc2C=Nn2cnnc2SCc2ccc(C)cc2C)cc1 2326426922 KMGKYHUYEROBQZ-UHFFFAOYSA-N 442.588 5.957 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(CCCOc3ccc(C)cc3)nnc2SC)cc1 2327141654 LSSVBWZYONFQON-UHFFFAOYSA-N 437.613 5.048 30 10 IKEE Clc1ccc(CCc2nnc(SCCc3ccccc3)n2N=Cc2ccco2)cc1 2328069557 QPHNTFSBTKYDPY-UHFFFAOYSA-N 436.968 5.527 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccccc3C)n2N=Cc2cccn2C)CC1 2328120587 BXYSXNAZBHYQNL-UHFFFAOYSA-N 449.668 6.564 30 10 IKEE CCCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1cccc(OC)c1OCC 2329121612 QZQIPQPUAPEOPP-UHFFFAOYSA-N 444.988 5.314 30 10 IKEE Cc1ccc(CSc2nnc(Cc3cccs3)n2N=Cc2ccc(C(=O)O)cc2)cc1 2330316899 VVBWKGDBFBDBTA-UHFFFAOYSA-N 448.573 5.112 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(CC)cc2)cc(OC)c1OC(=O)c1ccccc1C 2330767889 ZHORFJIPCPOYCT-UHFFFAOYSA-N 440.539 6.410 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(Br)c3)cc2)c1 2330775744 BKHULZMXPMWHJC-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(C)c3)cc2[N+](=O)[O-])cc1 2330866690 GSAAETVYDJZHHJ-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3cccc(F)c3)nnc2[C@@H]2CCCO2)c1 2330935335 YUTVGJFVRPXUMV-NRFANRHFSA-N 440.544 5.232 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2[C@@H]2CCCO2)cc1 2330965654 MPWDDUKOVWTMNC-FQEVSTJZSA-N 442.972 5.356 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c(OC)c2)cc1 2330990445 KGYVLVNFJKLDPT-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)cc(Cl)c1OC(=O)c1ccncc1 2331069494 FTNAUGROHVQKBA-UHFFFAOYSA-N 437.879 5.258 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)Cc1ccc(C)cc1 2331182748 IOLNJORYPVAOHT-UHFFFAOYSA-N 426.512 5.776 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)c(C)c1 2331216164 RUKIDIXSYMZJKS-UHFFFAOYSA-N 428.572 6.711 30 10 IKEE CN(C)c1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2-c2ccco2)cc1 2331224263 AWHHSOSWZVAIBZ-UHFFFAOYSA-N 437.956 5.432 30 10 IKEE CCc1ccc(C=Nn2c(CC(C)C)nnc2SCc2cccc3ccccc23)cc1 2331464072 WGCCOYQMLBPZJR-UHFFFAOYSA-N 428.605 6.367 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)CC(C)C 2331499850 YOHQFCZTIZZPRL-UHFFFAOYSA-N 428.956 6.710 30 10 IKEE O=[N+]([O-])c1cc(C=Nn2c(SCc3ccccc3)nnc2C2CCC2)ccc1Cl 2331521047 ZWLGMVYPLHIFAJ-UHFFFAOYSA-N 427.917 5.282 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)cc(Br)c1OC(C)=O 2331630361 BXPDGNKAJXBZRM-UHFFFAOYSA-N 447.325 5.295 30 10 IKEE CCOc1c(C=Nn2c(SCc3cccc(F)c3)nnc2C(C)C)cccc1OC 2331688066 YQOZXSYOWNYBER-UHFFFAOYSA-N 428.533 5.122 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2OCC)c1 2331711566 DAYRQNXYLHWNCH-UHFFFAOYSA-N 444.527 6.216 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)COc3ccc(Cl)cc3)cc2)c(C)c1 2331764355 HBBDWAZVXWGZSZ-UHFFFAOYSA-N 434.919 6.146 30 10 IKEE CC#CCN(C[C@@H](NCCC)c1c(F)ccc(Br)c1F)C(=O)OC(C)(C)C 2363133798 VCFBCOMAXJZRQI-MRXNPFEDSA-N 445.348 5.028 30 10 IKEE C[C@H]1CN(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)[C@H](C)[C@@H](C)N1Cc1ccccc1 2365103946 PACQSMIBNPYWKD-BHDDXSALSA-N 447.432 5.214 30 10 IKEE C=C([C@H](OCCC(=O)O)c1sc(Cl)cc1I)C(C)(C)C 2366704478 NWZBPBZBBHCQIW-LBPRGKRZSA-N 428.719 5.141 30 10 IKEE CCCOc1nc2ccccc2nc1Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N 3201993 QZUHYUOGSMZXBU-UHFFFAOYSA-N 446.510 6.961 30 10 IKEE CCNC(=S)N/N=C/c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1 8798158 PRICEJFVOPIETO-OVVQPSECSA-N 425.561 5.024 30 10 IKEE CCOc1cc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(CC)cc2)C3)cc(Cl)c1O 20884495 YQJZGAQVMFIELZ-WMZOPIPTSA-N 439.939 5.011 30 10 IKEE CC(C)[C@@H](C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2O)c1)c1ccc(Cl)cc1 31516200 DGQZGRIBSTXBJK-DNQXCXABSA-N 435.907 6.386 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1 34954747 XPEVCPSBXSTOIZ-SYZQJQIISA-N 437.289 5.573 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)S/C1=N/c1ccccn1 39862534 QZECYMVASURYJZ-YJECAWTJSA-N 446.488 5.348 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1ccc(C(C)C)cc1 40078293 PIEJGXRXNUIXGO-DEOSSOPVSA-N 435.564 5.977 30 10 IKEE CCCCCCCCCCCCCCCCCCOC(=O)NC[C@@H]1CCS(=O)(=O)C1 59568247 HYSUTHJXDRCECK-QHCPKHFHSA-N 445.710 6.409 30 10 IKEE O=C1/C(=C\c2ccc(Br)cc2)S/C(=N/c2ccccc2)N1C1CCCCC1 100055863 YEPOMVOZKCOTOD-WJGQKVTCSA-N 441.394 6.386 30 10 IKEE Cc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccccc3)N(Cc3ccccc3)C2=O)c(C)c1 100113900 RKGPZXKLJQNHEY-YGKZTHBJSA-N 443.572 5.464 30 10 IKEE CCCCCCCC(=O)NC(=S)Nc1ccc(NC(=O)CCc2ccccc2)cc1 100320818 WXXDGIRSWFCACB-UHFFFAOYSA-N 425.598 5.431 30 10 IKEE CCCCCCOCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 100550699 FHQVFWFMYXCYQP-UHFFFAOYSA-N 448.263 6.712 30 10 IKEE CCCCCCCCCCCn1c(CCNC(=O)C2CCCCC2)nc2ccccc21 101322367 CIJLAVAORBBGME-UHFFFAOYSA-N 425.661 6.806 30 10 IKEE CCCCCCCCCn1c([C@H](C)NC(=O)Cc2ccc(Cl)cc2)nc2ccccc21 102132428 UGNWFAANZLMLTG-FQEVSTJZSA-N 440.031 6.860 30 10 IKEE CCCCCCCCCCC[C@H](N)c1cc(Br)c(Br)s1 128162710 YWKPVYBJMCYOKW-AWEZNQCLSA-N 425.274 7.194 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2cccc(C)c2)c1 169966457 FDKZYBIOJASCFR-RUZDIDTESA-N 441.527 5.793 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2cccs2)ccc1F 169987842 MCLXZWQEFCEZRQ-IBGZPJMESA-N 429.419 5.257 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2ccc(OC)cc2)=C(N(C)c2ccccc2)C1=O 170029906 UWXSCEQUVPZSLP-UHFFFAOYSA-N 448.607 6.052 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccccc2C)c1 170037654 SMRVRUUOUKPAAD-NRFANRHFSA-N 448.544 5.250 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@H]1c1ccc(F)cc1 170062268 XADAJMHWONXVTH-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccccc2F)c(C)c1 170069864 CKJMSWHYYCNTDV-DEOSSOPVSA-N 445.490 5.542 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2c[nH]c3ccccc23)c1 170078185 ALUWCFPNXVMUHO-DEOSSOPVSA-N 444.531 5.478 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1c[nH]c2ccccc12)c1ccc2c(c1)CCO2 170078463 GTWWGRWQYYTGQQ-XMMPIXPASA-N 442.515 5.014 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(O)cc2)cc1 170131350 XSBNPPFWOGITCI-QHCPKHFHSA-N 447.462 5.103 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccs2)cc1C 170156692 FNZLIQNFCRKSQM-JOCHJYFZSA-N 433.529 5.547 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccccn2)c1 170171928 BUECGEMMMOWLRX-XMMPIXPASA-N 442.515 5.270 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccccn2)cc1C 170172540 SEFITYKFIZMEDX-DEOSSOPVSA-N 442.515 5.188 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccccn1 170179177 RODBILBLDYQCIB-HSZRJFAPSA-N 448.563 5.299 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1cccnc1 170186400 HOVOOQDVMQEXGN-HSZRJFAPSA-N 442.515 5.176 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1ccc(OCC)cc1 170213562 SUXGQIKXLLSTOL-HSZRJFAPSA-N 437.536 5.251 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2CCC)cc1 170216124 MPYAGNVKGBFKGW-QHCPKHFHSA-N 437.536 5.171 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2ccccc2)cc1C 170221518 KMKKVWJGUUZTKR-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(F)cc1)c1cc2cc(Cl)ccc2o1 170239674 JOIWECQEIQIVOY-JOCHJYFZSA-N 447.849 6.008 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(C4CCCCC4)[C@H]3c3ccc(F)cc3)oc12 170242435 RRGBTPGWWINANT-QFIPXVFZSA-N 449.478 5.492 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)(C)C)c2)[C@@H]1c1ccc(F)cc1 170243346 BBIIKIPRPIDMCU-QFIPXVFZSA-N 439.527 5.510 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccco1)c1ccc(Cl)c(Cl)c1 170296118 PANSUMZYUJCYQR-LJQANCHMSA-N 446.261 5.504 30 10 IKEE CCCCCCCCCCCCCC[C@H](OS(=O)(=O)c1ccc(C)cc1)C(=O)OC 207015458 ABGQWYBWRQCJHN-QHCPKHFHSA-N 440.646 6.333 30 10 IKEE CCOc1ccc(N2C(=O)C(=O)/C(=C(O)\C=C/c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 229101849 NXOUPXDCLRTMHD-VRQKEESCSA-N 443.474 5.407 30 10 IKEE C=CCN1C(=O)/C(=C2\Sc3ccc(Cl)cc3N2C)SC1=Nc1ccc(Cl)cc1 252627255 RPXZXDKQLMGGMG-POSJOTSYSA-N 448.400 6.154 30 10 IKEE CCOC(=O)Cc1ccc(N=Cc2ccc(N(CC(C)C)CC(C)C)c([N+](=O)[O-])c2)cc1 254302493 IGZUHXJOCCNLEQ-UHFFFAOYSA-N 439.556 5.569 30 10 IKEE Cc1onc(-c2c(Cl)cccc2Cl)c1C=NNc1c(Cl)cc(Cl)cc1Cl 254745826 QOLQWIWTIXAYTD-UHFFFAOYSA-N 449.552 7.363 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2c[nH]c3ccccc23)cc1 526605681 YXLPWTQKKOAZHN-AREMUKBSSA-N 449.510 5.886 30 10 IKEE N#Cc1cccc(N2C(=O)C(Nc3ccccc3Cl)=C(Sc3ccccc3)C2=O)c1 526660481 GLNIJQNAUXWCGG-UHFFFAOYSA-N 431.904 5.201 30 10 IKEE CCCOc1ccc(/C=N\n2c(C)nnc2SCc2ccc(F)cc2)cc1OCC 526801662 YVPOCJNCXCSWNP-OYKKKHCWSA-N 428.533 5.088 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1/N=C\c1cc(Cl)c(OC)c(OC)c1 526803503 WSZCJQJXSCJWOK-MSXFZWOLSA-N 448.951 5.215 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1ccc(OC)cc1OC 526818868 DYYVDUOAWXJDMZ-MYYYXRDXSA-N 438.597 5.429 30 10 IKEE CCCOc1ccc(/C=N\n2cnnc2SCc2ccc(Br)cc2)cc1 526819193 DPLKHBCWLDQIOJ-UUYOSTAYSA-N 431.359 5.004 30 10 IKEE FC(F)(F)c1ccc(/C=N\n2cnnc2SCc2ccc(Br)cc2)cc1 526819232 FQZZWSJAFHUPTJ-AQHIEDMUSA-N 441.276 5.234 30 10 IKEE CCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1ccc(C(F)(F)F)cc1 526822306 IJNRNGWIKUIXFE-ZMFRSBBQSA-N 429.471 5.296 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(CCCC#N)c2cccc(C(=O)O)c2)cc1 586230926 PFXCGFUJPPUSHC-UHFFFAOYSA-N 428.554 5.007 30 10 IKEE C#CCN(c1ccc(N2CCC(C)CC2)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586243760 UMTUWORZYUDOOD-UHFFFAOYSA-N 437.392 5.058 30 10 IKEE C=C1CC[C@H](O)C/C1=C\[C@H](O)[C@@]1(O)CCC[C@]2(C)[C@@H]([C@@H](C)/C=C/[C@@H](C)C(C)C)CC[C@@H]12 616582678 KXILCRGOVVVVRF-LTFUNDGZSA-N 430.673 5.807 30 10 IKEE COc1ccc(Br)c([C@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)c1 698403507 CKAQPQFVZMAYQV-IBGZPJMESA-N 431.330 5.460 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1c(F)cccc1Br 698490273 IBEHKBDAGWDJBN-INIZCTEOSA-N 435.293 5.603 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@H](C#N)c1ccc(Br)cc1F 698864656 AGGHSSMJLUTPLT-INIZCTEOSA-N 425.323 5.652 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CC1 698876957 JWAIXVMPJZMMRK-XLNZFTOWSA-N 433.593 5.238 30 10 IKEE CCCCCCCCC[C@@H](NCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 707888016 ZARDKZXSOOQKKK-ICDZXHCJSA-N 448.692 6.604 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@@H]2C[C@@H](CN2Cc2ccccc2)C1 716622499 VTPQRWCMLRVMRV-KHVXQDHOSA-N 431.580 5.683 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 724082491 VZYMYFCDHAVLBM-NBGIEHNGSA-N 443.588 5.401 30 10 IKEE CC(C)(C)C1CCC(OC(=O)CO/N=C(/c2ccc(-c3ccccc3)cc2)C2CC2)CC1 821228998 FGNUTKGBISBJOK-OHYPFYFLSA-N 433.592 6.632 30 10 IKEE COc1cc(C=Nc2ccc(-c3ccccc3)cc2)ccc1OCc1cccc(C(=O)O)c1 1084614582 YPANHYCKSGAJSP-UHFFFAOYSA-N 437.495 6.390 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)Nc1cccc(CC#N)c1 1195560807 ULXQSAMOVTWTLM-UHFFFAOYSA-N 430.302 5.114 30 10 IKEE COc1ccc(/C(C)=C2/SC(=Nc3cccc(C(=O)O)c3)N(c3ccccc3)C2=O)cc1 1772734937 HFEKKWJNCVAUMB-SBECIKHMSA-N 444.512 5.592 30 10 IKEE CN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=Nc1nccs1 1772737361 OQTLQGJDOQWLKX-OEMMCLACSA-N 446.897 5.199 30 10 IKEE CCc1ccc(-c2csc3nc(-c4ccccn4)n(Cc4cccc(C#N)c4)c(=O)c23)cc1 1857803801 BCTJRJWUNSYOIW-UHFFFAOYSA-N 448.551 5.669 30 10 IKEE Fc1ccc(-n2cc(/C=N\NC(=S)Nc3ccc(Cl)cc3)c(-c3ccccc3)n2)cc1 1857808354 DHIMZYKMHDFZST-WGARJPEWSA-N 449.942 5.652 30 10 IKEE CCCC[C@H](C)N(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(F)c1 1859995997 KFOWPKVUXOKUHI-ZDUSSCGKSA-N 435.383 7.089 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)C1CCN(Cc2ccccc2)CC1 1861163876 LWMWPYCNBFCECR-RUZDIDTESA-N 443.676 5.050 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)c1c(F)cccc1Cl)c1ccccc1 1861845743 MVJFDDGKYDEGPL-QHCPKHFHSA-N 446.994 6.207 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc([N+](=O)[O-])cc1 1862384654 XEPYLTCUUKDCNP-GOSISDBHSA-N 449.290 5.280 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@H]1c1cccc(C)c1 1862389208 ALFLUOIQGWYAHE-RUZDIDTESA-N 433.592 6.496 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 1862394110 IUSRAODCCFFKSV-NRFANRHFSA-N 444.358 6.077 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1cccc(O)c1 1862411306 DVKCKQFWDRMWHA-FPTDNZKUSA-N 435.426 5.010 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccccc2F)c1 1862443453 PPNVDLGGWNDEGA-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccc(C)cc2)cc1 1862532330 HCTVCMKGQMUMQJ-XMMPIXPASA-N 429.491 5.475 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CC(C)C)c1 1862551614 WICTUZXKJORUDD-RUZDIDTESA-N 447.575 5.589 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(Cl)cc1Cl 1862598185 PAWYNASEPZZMDX-LJQANCHMSA-N 434.319 5.323 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(C(C)C)cc1 1862650793 DNGNPBQGBSHQFC-BVZFJXPGSA-N 427.544 6.340 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccccc2)cc1 1862659656 BZGTXBAGXIJYCY-RUZDIDTESA-N 431.576 6.501 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccc1Cl 1862712141 KHVNNCCSONVCHL-XMMPIXPASA-N 447.962 6.652 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCc2ccccc2)cc1 1862713484 PNBGGAVLJLGMKV-HHHXNRCGSA-N 447.534 5.969 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2C(C)C)cc1 1862723582 CKOFNDAVRMSMIN-VWLOTQADSA-N 425.528 5.903 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc2cc[nH]c2c1 1862726755 NZPLNEGOWLTKPU-VWLOTQADSA-N 434.495 5.599 30 10 IKEE N#Cc1cccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3ccc4ccccc4c3)C2=O)c1 1862764428 NUUNFYSRKBZQOA-UHFFFAOYSA-N 433.442 5.247 30 10 IKEE N#Cc1ccccc1N1C(=O)C(Nc2cccc(Cl)c2)=C(c2cccc3ccccc23)C1=O 1862853882 GGNUZIMQDMNTGB-UHFFFAOYSA-N 449.897 5.761 30 10 IKEE CCCCOc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3cccs3)C2=O)cc1 1863117266 ZSPDNJSKTKURNY-UHFFFAOYSA-N 443.528 5.195 30 10 IKEE N#Cc1ccccc1Nc1cc(N2CCO[C@@H](c3ccccc3)C2)nc(Cc2ccccc2)n1 1868216239 WUKPRHXOJAAKKQ-RUZDIDTESA-N 447.542 5.261 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC[C@@H](Oc3ccccc3)C2)nc(-c2ccccc2C)n1 1869158790 MQSWOLVKXPBZLR-XMMPIXPASA-N 440.591 5.678 30 10 IKEE C=CCn1cc(OCCCCOc2ccccc2)c(=O)cc1CN(CCCC)CCCC 1870317546 AKHUHARJJRBRHS-UHFFFAOYSA-N 440.628 5.675 30 10 IKEE CCCCCCCOc1cn(CCCCc2ccccc2)c(CNc2ccccc2)cc1=O 1870836881 ZJDRADPMUGQJJS-UHFFFAOYSA-N 446.635 6.833 30 10 IKEE CCCCCCCCCCn1cc(OCC(C)C)c(=O)cc1CNc1cccc(Cl)c1 1870858773 UKAIUZVXZOQNHH-UHFFFAOYSA-N 447.063 7.289 30 10 IKEE C=CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1cccc(C(C)(C)C)c1 1871252155 NGKPLRLELPWOCJ-UHFFFAOYSA-N 427.548 5.395 30 10 IKEE Cc1cc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCC(C)C)ccc1Cl 1871255410 WQJXTAPYNJEYRE-UHFFFAOYSA-N 449.982 5.919 30 10 IKEE CCCCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1cn(CC)c2ccccc12)C3=O 1871351902 GLNLXLVVYDCZKM-MYYYXRDXSA-N 444.575 6.318 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(C(C)(C)C)cc1)C3=O)CN(C1CCCCCC1)CO2 1871353125 GDKXLSDOXLDAGC-MYYYXRDXSA-N 445.603 6.783 30 10 IKEE CCCOc1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccco2)C3=O)cc1 1871378487 OTKZNEKLBRYZOG-FZCBTXPFSA-N 430.456 5.612 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2F)C3=O)CC1 1871383194 OEESCHKSYLPLFQ-JLPGSUDCSA-N 436.523 6.652 30 10 IKEE COc1ccc(Br)cc1/C=C1\Oc2c(ccc(OC(=O)C=C(C)C)c2C)C1=O 1871384796 JWUDVLZBMLRBOI-ODLFYWEKSA-N 443.293 5.254 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2sccc2C)C3=O)c1 1871389973 XJUWFJRWNPOXCZ-STZFKDTASA-N 432.497 5.765 30 10 IKEE CC(C)C(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2)C3=O)c1 1871390332 QNDQMDGOPPQLST-QRVIBDJDSA-N 428.440 5.083 30 10 IKEE C[C@H]1C[C@H](C)CN(Cc2c(O)ccc3c2O/C(=C\c2ccccc2Br)C3=O)C1 1871396329 ABRQEYRUUAWLEP-QZNHCPNFSA-N 442.353 5.249 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(C)c1)C2=O 1871401915 CAVNOJSQHBUEMW-MGKUZBKYSA-N 441.527 5.888 30 10 IKEE Cc1ccc(OCCOc2ccc3c(c2)O/C(=C\c2ccc(Cl)c(Cl)c2)C3=O)cc1 1871405999 PAGCYOKXANQXON-QRVIBDJDSA-N 441.310 6.376 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(O[C@@H](C)C(=O)Nc4cc(C)ccc4C)c3C)C2=O)cc1 1871412691 ZFIBSOIJFOAPBO-FXONECCMSA-N 441.527 5.942 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OC(c4ccccc4)c4ccccc4)c3C)C2=O)cc1 1871431720 UCPCMPSXBWZLEL-DIBXZPPDSA-N 432.519 7.088 30 10 IKEE Cc1c(OCC(=O)NCc2ccco2)ccc2c1O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871445610 ZIHDHHZOSZBIIZ-QRVIBDJDSA-N 431.488 5.023 30 10 IKEE COc1cc(/C=C2\Oc3c(ccc(OCc4cccc(C)c4)c3C)C2=O)cc(OC)c1OC 1871455013 HBFBSHMXLRUYIE-UUYOSTAYSA-N 446.499 5.524 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccc(N(C)C)cc2)C3=O)c1 1871456612 NLGNRYVDNAQALI-IWIPYMOSSA-N 442.515 5.003 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccccc3F)cc(C)c2C1=O 1871460174 ZCDJOPYGGGJNMK-QRVIBDJDSA-N 447.462 5.167 30 10 IKEE C=CCN(CC=C)c1nc(=NCCCCCCCC)[nH]c(=Nc2cccc(Cl)c2)[nH]1 1871647803 LEKCTKOSZYQYKS-UHFFFAOYSA-N 429.012 5.063 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1ccccc1 1872089144 HKGZPGOUKWRXLG-HSZRJFAPSA-N 428.598 5.013 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccccc1C(C)C)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872435890 WPFGVUNMIKNAEK-DEOSSOPVSA-N 442.625 5.267 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1 1872497333 AGPWHSMAPQUSNM-QFIPXVFZSA-N 449.016 5.331 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)COc3ccc(C)c(C)c3)n2)cc1C(C)C 1872779958 VSAXEUYEKWCYLM-QFIPXVFZSA-N 448.588 6.123 30 10 IKEE CC(C)COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 1872787812 RRIORSHSQOCPJM-GOSISDBHSA-N 445.371 6.642 30 10 IKEE CCCCCCCCCCNC1=C(c2cc(F)c(F)cc2F)C(=O)N(CC(C)C)C1=O 1873062687 SCBDICLDDIQNRK-UHFFFAOYSA-N 438.534 5.570 30 10 IKEE CCCCCCCCN1C(=O)C(NCCOc2cc(C)cc(C)c2)=C(c2ccccc2)C1=O 1873161318 PTFAAGKOLNAFDQ-UHFFFAOYSA-N 448.607 5.412 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc([N+](=O)[O-])c2)=C(c2ccc(C)cc2)C1=O 1873367765 MFTCSQNHZTWOCZ-UHFFFAOYSA-N 435.524 5.456 30 10 IKEE Cc1ccc(COc2ccccc2/C=N/Nc2oc([C@H]3C[C@@H]3c3ccccc3)nc2C#N)cc1 1873470661 OFEYFVLQLXDRNJ-IBHBEKDDSA-N 448.526 6.151 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(OCCCCCC)cc2)cc2c(N(CC)CC)ncnc21 1873670712 LYBSFWQDMCBVEJ-UHFFFAOYSA-N 449.599 5.675 30 10 IKEE CCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1/N=C/c1ccc(O)cc1 1874195130 ZAPKYAPTTWMGND-KOEQRZSOSA-N 438.597 5.287 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2OCC)n1/N=C/c1cccc(Cl)c1 1874241216 UVXWVVMZXONAJW-ZMOGYAJESA-N 442.972 5.460 30 10 IKEE CCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1cn(C)c2ccccc12 1874244670 LDDDLKPORFFMNU-JVWAILMASA-N 447.652 5.913 30 10 IKEE C=CCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1cc(Cl)ccc1O 1874247136 NXBKRZWNPCNSGZ-BUVRLJJBSA-N 442.972 5.117 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2C)n1/N=C/c1ccc(OC)cc1 1874250150 TVHXMAFGSQSYFW-PCLIKHOPSA-N 436.581 5.157 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1cccc2ccccc12 1874264902 QCLLZCYKAROXCU-VULFUBBASA-N 448.979 6.214 30 10 IKEE Cc1ccc(/C=N/n2c(Cc3ccc(C)c(C)c3)nnc2SCc2ccc(C)cc2)cc1 1874356049 OXXJFXPVLGHRNG-OGLMXYFKSA-N 440.616 6.277 30 10 IKEE COc1ccc(/C=N/n2c(Cc3ccc(C)cc3)nnc2SCCc2ccccc2)cc1 1874389714 BCOSZUWPNPKCNC-ZXVVBBHZSA-N 442.588 5.403 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2cccc(F)c2)n1/N=C/c1cccc(F)c1 1874393363 KKRBVYJUGWTUBZ-VSWHYLHOSA-N 434.515 5.883 30 10 IKEE Cc1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2ccc(C(C)(C)C)cc2)cc1 1874451782 OTUORXOYBRIAIL-WPWMEQJKSA-N 432.637 6.716 30 10 IKEE COCCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(Cl)cc1Cl 1874471195 IEAGPZVOANLOEE-FOKLQQMPSA-N 439.343 5.087 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc(OC)c(O)c1 1874478887 WXECYIVNTBFIRI-YDZHTSKRSA-N 430.961 5.163 30 10 IKEE COCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1cccc(Cl)c1 1874505691 UHHIRFAVBURRTQ-LSFURLLWSA-N 425.316 5.045 30 10 IKEE CC(C)c1nnc(SCc2ccc(F)cc2)n1/N=C/c1cc(Br)ccc1O 1874512167 ZIYQZTIMBBJJJD-LSHDLFTRSA-N 449.349 5.183 30 10 IKEE CCCN(CCC)C(=O)CSc1nnc(C(C)C)n1/N=C/c1ccc(C(C)C)cc1 1874514617 CIGPADSBXFQWNA-BUVRLJJBSA-N 429.634 5.148 30 10 IKEE CC(C)(C)c1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CC2)cc1 1874520381 KIRUAJJQNNKFSL-AFUMVMLFSA-N 425.001 6.281 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1ccccc1F)c1ccc(-c2ccccc2)cc1 1874570325 WABVLMAOHCCHGI-JQIJEIRASA-N 442.917 7.621 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C/C(=O)c2ccc3c(c2)OCO3)c1 1874583167 ZVCZBIQUKQQEQP-VMPITWQZSA-N 449.890 5.291 30 10 IKEE CCCNC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1cc(C)c(OC)cc1C 1874591062 QHPAEJDNCYGOLR-VAWYXSNFSA-N 431.532 5.266 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccc(C)cc2)c2ccccc12 1874592179 QWFNFKGOJUVQPS-SDNWHVSQSA-N 442.942 7.285 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC)c(OCc3c(Cl)cccc3Cl)c2)c1 1874593878 GIUDCZZDAAINIR-PKNBQFBNSA-N 443.326 6.486 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(OC)c1OCc1cccc(F)c1 1874611799 ROUSTWJDCLGZJY-RMKNXTFCSA-N 428.406 5.596 30 10 IKEE CCCNC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OCC 1874614199 KJCHOJOOKYGYQR-BJMVGYQFSA-N 436.335 5.193 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OCc1ccc(F)cc1 1874628970 GEAHSAUPOPOFEP-UKTHLTGXSA-N 432.535 6.933 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1OC(=O)c1ccc(C)cc1 1874693812 XLTDLHZALMSOLO-OQLLNIDSSA-N 426.512 5.998 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OC(=O)c1ccc(N(C)C)cc1 1874701415 RQIHDEFRQVWDAJ-VGOFMYFVSA-N 429.516 5.493 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1OC(=O)COc1ccccc1 1874707257 WTJUFBSODVDOIF-JQIJEIRASA-N 438.479 5.729 30 10 IKEE C[C@H](Oc1ccc(Cl)cc1)C(=O)Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1 1875111535 JGHPFZLJBYKCMW-AHQMPEJBSA-N 441.310 6.262 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1 1875111560 KTQYNRUIYMFECA-XYOKQWHBSA-N 427.283 6.117 30 10 IKEE CC(C)COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2[N+](=O)[O-])cc1 1875127040 LUTCOPBPHMNWDN-RIYZIHGNSA-N 445.471 5.745 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OC(=O)Cc1ccc(Cl)cc1 1875127662 RAUOTZVXJIFQJJ-FMIVXFBMSA-N 441.310 6.046 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)c1c(OC)cccc1OC 1875128706 QFIIGUWLVMJYPN-FYWRMAATSA-N 432.472 5.218 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)c1ccc(F)c(F)c1 1875134342 XSTDAXNVINZWTO-IZZDOVSWSA-N 436.454 6.096 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)Cc1cc(C)ccc1C 1875137169 ZJMURAZZYPWXGA-GXDHUFHOSA-N 428.528 6.055 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)c(C)c3)c(Cl)c2)c1 1875139440 IYARWVHXPAMKKN-JXMROGBWSA-N 436.910 6.449 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2[N+](=O)[O-])cc1 1875139766 ZAWDYDLQPIZQTQ-UKTHLTGXSA-N 429.472 5.889 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)c(F)c3)c(OC)c2)cc1F 1875153514 KOTLAXLFFNKFRH-FPYGCLRLSA-N 442.389 5.236 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Br)c1OC(=O)CC(C)C 1875160008 VSVKOPWZCSRQGZ-RUDMXATFSA-N 435.289 5.444 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3ccco3)c(OC)c2)c(C)c1C 1875164628 SRWRYWATEIPJLM-VQHVLOKHSA-N 440.879 5.682 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2ccc(OC(=O)c3cncc(C)c3)cc2)cc1Cl 1875172919 CRRYKLOQOMRSLN-RMKNXTFCSA-N 437.879 5.176 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)Cc1cc(C)ccc1C 1875179296 XMUSXKIQNYGQTO-FMIVXFBMSA-N 428.528 5.973 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C=CC(=O)Cc2cc(F)ccc2Br)cc1 1911889201 ZWIKJQPUZYZJNO-UHFFFAOYSA-N 434.305 5.760 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1cc(F)ccc1NC(=O)OC(C)(C)C 1922053379 BMJIMKGABMASMO-QHCPKHFHSA-N 428.548 5.986 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C12CC2 1925721585 LZBXMZRCKOQLGR-HSZRJFAPSA-N 447.963 5.517 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 1944586997 AIZLODUYVQGFOG-MWTRTKDXSA-N 433.524 5.154 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 1944697681 LASCUBRMEUVOOM-QUCCMNQESA-N 435.609 5.486 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CC2)C1 1949347480 GKCCUDVQIXNJFX-PKTZIBPZSA-N 428.617 5.307 30 10 IKEE CCCCCCC[C@@H](NC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997462504 UQSRFHFTPLQXBV-ZEQKJWHPSA-N 432.649 5.779 30 10 IKEE C#CCCCCC[C@H](NC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997467930 BQDLJZCWHKYCST-OZXSUGGESA-N 428.617 5.002 30 10 IKEE C=CCN(C[C@@H](NCCC)c1c(C)sc(C)c1Br)C(=O)OC(C)(C)C 2027395211 KWMIZHPXQNEHNY-OAHLLOKOSA-N 431.440 5.591 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CN(Cc3ccccc3)C(C)(C)C2)c1 2037384402 VSOUDFIVWJQYRB-SANMLTNESA-N 435.568 5.384 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(C(=O)OC(C)(C)C)C3(CCC3)C2)cc1 2038096782 OEDJEOPTIHLYTP-RUZDIDTESA-N 441.572 5.562 30 10 IKEE CC(C)(C)OC(=O)N(C1CCC1)[C@@]1(C#N)CN(Cc2ccccc2)C2(CCCCCC2)C1 2038911277 CZLAKQLRKOBKNY-MHZLTWQESA-N 437.628 6.037 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1 2070602309 FQEJURZQWIJHKQ-UQBPGWFLSA-N 443.588 5.666 30 10 IKEE COC(=O)c1c(C(F)(F)F)nn([C@@H](c2ccc(C(F)(F)F)c(F)c2)C2CC2)c1Cl 2080054853 WPIKXYQNYKBMPG-GFCCVEGCSA-N 444.734 5.499 30 10 IKEE N#Cc1cnc2c(-c3cccc(F)c3Br)c(C3CCCCC3)nn2c1Cl 2081421100 DQWMVRIEXWJVPA-UHFFFAOYSA-N 433.712 5.871 30 10 IKEE N#Cc1cnc2c(-c3cc(C(F)(F)F)cc(Cl)n3)c(C(F)(F)F)nn2c1Cl 2081522293 PFFBRLZXXFWPQM-UHFFFAOYSA-N 426.107 5.007 30 10 IKEE C=CCCCCCCCCC[C@@H](N)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2086280373 FVNLTXYAPKNDRT-RPBOFIJWSA-N 445.692 6.036 30 10 IKEE C#CCCCCC[C@H](NCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134731044 SDEVAHNUVJIRCN-NDEPHWFRSA-N 441.615 7.079 30 10 IKEE N[C@@H](CC#CC1CCCCC1)c1ccc(Br)cc1I 2142276177 AFORXUWTRWDHCO-INIZCTEOSA-N 432.143 5.027 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(C)cc(Br)c1F 2159127569 HURKSNGWZHNKAA-HKUYNNGSSA-N 441.385 5.244 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(F)c(Nc2ccc(C#N)c(Br)c2F)c1F 2162315147 QYYVXQUJGSQGEF-UHFFFAOYSA-N 442.235 5.829 30 10 IKEE CC(C)(C)OC(=O)NCC[C@H]1CCC[C@@H](Nc2cc(Br)cc(F)c2C#N)C1 2163701506 ZAQKCXOTWACLCG-UKRRQHHQSA-N 440.357 5.345 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](Cc2cccc(Br)c2)NCCC)C1 2183012222 YYKPVZIEAKFVKB-IBGZPJMESA-N 437.422 5.221 30 10 IKEE C[C@@H](c1cscc1Br)N(C)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2186595094 NGBYYQFIQSSCGH-AWEZNQCLSA-N 436.224 5.003 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(Br)c(C#N)c2)C[C@@H]1C1CCC1 2194105409 VNXDAMPNVGDPSE-PKOBYXMFSA-N 434.378 5.301 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1sc(C)c(Br)c1C 2226137248 DQNSELOUWUIXRA-RDJZCZTQSA-N 443.451 5.475 30 10 IKEE C=CC[C@H](C)[C@@H](NCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229117222 XCCZSTOMNVSQPN-ZYSHUDEJSA-N 425.411 5.075 30 10 IKEE C=C(C)CC[C@H](NCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229134961 KRFAXWPHUGYUFS-RBUKOAKNSA-N 425.411 5.219 30 10 IKEE Cc1sc(C(=O)N(Cc2ccccc2)CC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2247823391 NBPJYDNPPJVRCE-UHFFFAOYSA-N 427.419 5.044 30 10 IKEE CC1(C)OB(c2cc(Oc3ccc(OCc4ccccc4)cc3)ccc2[N+](=O)[O-])OC1(C)C 2282994656 KYHMQAATXAQOEX-UHFFFAOYSA-N 447.296 5.265 30 10 IKEE CC[C@H]1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)C#Cc2ccc(Br)cc2)CC1 2296273453 OZEVCJJOWPCAJG-CIEDQVTBSA-N 434.374 5.233 30 10 IKEE O=C1CCCCC1=C1SC(=Nc2ccccc2)C(=Nc2ccccc2)N1c1ccccc1 2297460589 UQFVZTVHLXGIEC-UHFFFAOYSA-N 437.568 7.055 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(OCCOc3cc(C)ccc3C)cc2)SC1=S 2297624642 VNBFQWNAWVFDTE-UHFFFAOYSA-N 425.575 5.148 30 10 IKEE CCOC(=O)[C@@H](Oc1ccc2c(c1)OC(=Cc1cccc(Cl)c1)C2=O)c1ccccc1 2314437799 WYRSRVHGSADAQB-DEOSSOPVSA-N 434.875 5.639 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCc3ccc(C(=O)OC)cc3)ccc2C1=O 2314438224 LUWOPPSVDPAFQO-UHFFFAOYSA-N 430.456 5.067 30 10 IKEE CC(=C1SC(=Nc2cccnc2Cl)N(C2CCCCC2)C1=O)c1ccc(C)c(C)c1 2314542419 KZHJXVPOCUYJCN-UHFFFAOYSA-N 440.012 6.679 30 10 IKEE COc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CC2)cc1OC 2320887017 KLSZBTOLEGSEFO-UHFFFAOYSA-N 428.945 5.001 30 10 IKEE CCCCCCOc1ccc(C=Nn2c(S)nnc2[C@H](C)c2ccccc2)cc1OC 2321962036 BYBCKBARADSYIF-GOSISDBHSA-N 438.597 5.569 30 10 IKEE CC(C)Oc1cccc(C=Nn2c(S)nnc2CCCOc2ccc3ccccc3c2)c1 2322274111 HKHYMPFUPAIKQZ-UHFFFAOYSA-N 446.576 5.401 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2c(C)cccc2C)cc1OC 2322346778 CXUVRZTZRBOENK-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE O=C(C=Cc1c(OCc2cccc3ccccc23)ccc2ccccc12)c1cccc(Cl)c1 2322524773 SFUBUCXXQBHDLP-UHFFFAOYSA-N 448.949 8.122 30 10 IKEE C=C(C)COc1c(C=CC(=O)c2cc(C)ccc2OC)cc(Br)cc1OC 2322648686 VTDVUCIEGKYAEG-UHFFFAOYSA-N 431.326 5.626 30 10 IKEE Cc1cc(OC(=O)c2ccc(Cl)c(Cl)c2)cc2c1C(=O)C(=Cc1ccccc1)O2 2323259374 VWPPZGGILGBRLX-UHFFFAOYSA-N 425.267 6.137 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(Cl)c1OCc1cccc(F)c1 2323387678 DKCVITFIPROXBX-UHFFFAOYSA-N 446.905 7.116 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(OC)c(OCc3cccc(Cl)c3)c(OC)c2)c1 2323485952 NAYFFLUARCXKCB-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 2323540801 WVKOKAQCEISXEE-UHFFFAOYSA-N 433.479 6.552 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)C=Cc1ccc(Cl)c(Cl)c1 2323628362 XMTIEOONCJSOBB-NRFANRHFSA-N 441.443 6.158 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1OCC 2323792015 YKHYSGHPGNOXNQ-UHFFFAOYSA-N 443.971 5.662 30 10 IKEE COc1ccc(-c2csc(NN=Cc3cccc(OCc4ccccc4)c3)n2)cc1OC 2323843106 YDWSRWCMGLCESK-UHFFFAOYSA-N 445.544 5.852 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OC 2323872514 FOIMUKNTUCZYIY-UHFFFAOYSA-N 443.543 5.788 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OCC(=O)Nc2ccc(C)cc2C)cc1 2323987251 KJTXKEQKPYVSDE-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE CCCN(CCC)Cc1c(O)cc(C)c2c1OC(=Cc1ccc(N(CC)CC)cc1)C2=O 2324097345 FJGWHLXKEPOFPR-UHFFFAOYSA-N 436.596 5.785 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1Cl 2324197138 DKIHPAHUDINDCU-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc(Cl)c1OCCO 2324221000 DEIDKYJPOKDUBT-UHFFFAOYSA-N 432.944 5.312 30 10 IKEE Cc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1ccccc1F)C2=O 2324412625 CJWSRFWABFPDRE-QGZVFWFLSA-N 431.463 5.465 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(Cl)c(Cl)c3)n2)c(C)c1 2324522119 QWPHFRAXDCYMKH-QGZVFWFLSA-N 427.356 6.623 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc(Br)c1OC 2324538809 GBPIEFPFVMFPCP-UHFFFAOYSA-N 439.733 5.723 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 2324574769 JZHNCAZUGXHEGZ-UHFFFAOYSA-N 429.516 6.676 30 10 IKEE CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(C)cc2)C3=O)c1 2324825681 HYAKAACXPIMTGT-GOSISDBHSA-N 441.483 5.220 30 10 IKEE CCOC(=O)c1ccc(COc2ccc3c(c2)OC(=Cc2cn(C)c4ccccc24)C3=O)o1 2325402258 WGTQGCDKRPQMQC-UHFFFAOYSA-N 443.455 5.143 30 10 IKEE CCc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccc(C)cc2)cc1 2325470939 SGWQBHYNEFXXSX-UHFFFAOYSA-N 426.589 5.914 30 10 IKEE Fc1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccc(Cl)cc2)cc1 2325471190 DBRRZQZJOZGBIN-UHFFFAOYSA-N 436.943 5.836 30 10 IKEE CC(=O)c1ccccc1NC(=O)COc1ccc2c(c1)OC(=Cc1cccc(Cl)c1)C2=O 2325566641 DOQYRRUIHWLJAE-UHFFFAOYSA-N 447.874 5.176 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1OC(=O)c1cccc(Cl)c1 2325699119 QOFLGICHBFGUEH-UHFFFAOYSA-N 442.898 6.617 30 10 IKEE O=C(C=Cc1cccc(OC(=O)[C@H]2C[C@H]2c2ccccc2Cl)c1)c1ccc([N+](=O)[O-])cc1 2325722678 BTSJDZIDFJVEDI-VXKWHMMOSA-N 447.874 5.853 30 10 IKEE CCCSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1cccc(O)c1 2325913919 DFIPBXCSGNXONG-UHFFFAOYSA-N 437.352 5.254 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1cccc(OCC(C)C)c1 2326600993 LNUJDMVXTXXJRA-UHFFFAOYSA-N 436.625 6.057 30 10 IKEE CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1cccc(Cl)c1Cl 2326821204 ZKQXRIXKHXEDTM-UHFFFAOYSA-N 436.324 5.230 30 10 IKEE CCSc1nnc(CCc2ccc(OC)cc2)n1N=Cc1c(OC)ccc2ccccc12 2328575320 QGHGMFAJOOGNTL-UHFFFAOYSA-N 446.576 5.228 30 10 IKEE COc1ccccc1CCc1nnc(SCc2ccccc2)n1N=Cc1ccccc1F 2328691476 BHXRQERBUFTKTI-UHFFFAOYSA-N 446.551 5.386 30 10 IKEE CSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1cccc(Br)c1 2328920861 NOMHKNMBHASOEF-UHFFFAOYSA-N 429.387 5.047 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccccc2)cc1C 2328931838 OBYNUBSKGLKUGQ-UHFFFAOYSA-N 444.579 5.994 30 10 IKEE Clc1ccc(Cc2nnc(SCc3ccccc3Cl)n2N=Cc2ccc[nH]2)cc1 2329102755 CWKMGQHTPCHAHX-UHFFFAOYSA-N 442.375 5.678 30 10 IKEE Cc1ccc(C=Nn2c(CCc3ccccc3C)nnc2SCc2cccc(C)c2)cc1 2329477624 BFHVOKVZAGLPDW-UHFFFAOYSA-N 440.616 6.163 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@H](C)c3ccccc3)n2N=Cc2cccs2)c1 2330132948 FLMZAIMUHNWBMZ-LJQANCHMSA-N 432.618 6.283 30 10 IKEE CCOc1cccc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccc(C)cc2)c1 2330221925 ZTTDNFLMSBAWSM-UHFFFAOYSA-N 448.636 6.283 30 10 IKEE CCCCCOc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCCCO)cc1 2330288567 UCDMFAZGDQSZCF-UHFFFAOYSA-N 444.645 5.327 30 10 IKEE CCCOc1ccc(C=Nn2c(SCCc3ccccc3)nnc2-c2cccs2)cc1 2330588407 RNAGMJDISKZMOL-UHFFFAOYSA-N 448.617 6.012 30 10 IKEE CN(C)c1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1 2330594705 SUQACIYLSZXQRB-UHFFFAOYSA-N 447.534 6.535 30 10 IKEE Fc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2-c2cccs2)c(F)c1 2330600479 QNUQJIIIXSQCNW-UHFFFAOYSA-N 446.935 6.113 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2ccc(F)cc2)nnc1-c1ccccc1 2330638224 LGVUHFGHDILSFY-UHFFFAOYSA-N 446.551 6.048 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)CC1CCCCC1 2330640193 UPQIYQIACMIMHZ-UHFFFAOYSA-N 437.492 5.765 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OC(=O)c1ccccn1 2330681420 IUONCCMJGGARIE-UHFFFAOYSA-N 443.499 5.093 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)c(C)c3)c([N+](=O)[O-])c2)c1 2330785555 GTCLCJQEISSHIU-UHFFFAOYSA-N 445.471 5.264 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)CCCSC 2330910327 MRFXASWDCRYGTH-UHFFFAOYSA-N 439.360 5.947 30 10 IKEE Cc1ccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2[C@H]2CCCO2)cc1 2330979534 BXKPBSOLSFOYDT-LJQANCHMSA-N 447.391 5.919 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(C2CCCC2)n1N=Cc1cccc(C)c1 2331030518 AJVCKWFWLFSLOG-UHFFFAOYSA-N 447.608 5.420 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCCC3)n2N=Cc2cccc3ccccc23)c1 2331077663 SIYKBCSCLUMILJ-UHFFFAOYSA-N 440.616 6.880 30 10 IKEE Cc1ccccc1CCC(=O)Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1Cl 2331092521 NPHFUIGLUOJSTB-UHFFFAOYSA-N 440.873 6.361 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(C(=O)OC)cc1 2331345752 VQCOYYHGZHORAY-UHFFFAOYSA-N 442.972 5.235 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1ccc(C)c(C)c1 2331377122 LUCHWESVARWLLL-UHFFFAOYSA-N 430.500 5.744 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(F)c2)ccc1OC(=O)CCCSC 2331463426 HBHNDXPLEWJSBW-UHFFFAOYSA-N 432.513 5.178 30 10 IKEE C(=Nn1c(SCc2cccc3ccccc23)nnc1C1CCC1)c1cccc2ccccc12 2331535445 FUQMFFCTHHHZEI-UHFFFAOYSA-N 448.595 7.027 30 10 IKEE Cc1cc(Br)c(Oc2cc(Cl)ccc2C#N)cc1NC(=O)OC(C)(C)C 2344217562 HHDSMSZUGWORTR-UHFFFAOYSA-N 437.721 6.422 30 10 IKEE Cc1cc(C(=O)N2CC(B3OC(C)(C)C(C)(C)O3)=CCC2(C)C)sc1Br 2362678193 HSISKHYDFJGSSI-UHFFFAOYSA-N 440.212 5.001 30 10 IKEE COC1(C#C[C@@H](O)c2cc(NC(=O)OC(C)(C)C)ccc2Br)CCCCC1 2363512395 UOKDZOJLXAGOIN-GOSISDBHSA-N 438.362 5.182 30 10 IKEE Cc1cc(CNc2ccc(Br)cc2Cl)ccc1B1OC(C)(C)C(C)(C)O1 2369612583 HLKFZSQGPXPYKV-UHFFFAOYSA-N 436.586 5.322 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C/c2ccc(C(C)C)cc2)C3=O)cc1OC 2100821 ZYHNCCHPRCWFCV-DHRITJCHSA-N 444.483 5.663 30 10 IKEE O=C1C(c2ccccc2)=C(c2ccccc2)[C@@]2(c3ccccc3)CN=N[C@]12c1ccccc1 5051996 VOLBMCYGGKVCFS-XZWHSSHBSA-N 426.519 6.479 30 10 IKEE CCCCCOc1cccc(C(=O)Nc2sc3c(c2C#N)CC(C)(C)NC3(C)C)c1 6322358 LDZZSMQSEQOPLV-UHFFFAOYSA-N 425.598 5.600 30 10 IKEE N#CC1(C#N)[C@H](c2ccccc2)[C@H](C(=O)c2ccsc2)N2c3ccc(Cl)cc3C=C[C@@H]21 8809680 UBBBVGJLBBETIZ-DNVJHFABSA-N 441.943 5.686 30 10 IKEE C=CCSc1nnc2c(n1)O[C@@H](/C=C/c1ccco1)Nc1ccc(Br)cc1-2 9601913 YFMJWLZVLZWNCS-BVBGJJFLSA-N 443.326 5.016 30 10 IKEE C=C(C)COc1ccccc1NC(=S)NC(=O)c1ccccc1OCCc1ccccc1 10510493 YOFXCAXOAMHIOE-UHFFFAOYSA-N 446.572 5.390 30 10 IKEE CCCOc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(OCC(C)C)cc1)C2 21252031 XVWJTRFOVYVIQB-REWPJTCUSA-N 447.575 5.515 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(OC)cc2)cc1 21260072 UNLGHJDEWVNOHI-WTYVLRPYSA-N 440.543 6.073 30 10 IKEE CC1(C)CC(=O)C(C(=S)Nc2ccc(F)c(Cl)c2)=C(NC2Cc3ccccc3C2)C1 21344850 WXEPTHYHNKNIMZ-UHFFFAOYSA-N 442.987 5.619 30 10 IKEE CCn1nc(C)c(CN/C(=N/C(=O)c2cccc(C)c2)Nc2ccc(Cl)cc2C)c1C 32971922 ZVKBBFZRCRPZRU-UHFFFAOYSA-N 437.975 5.188 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)/C=C\c2ccccc2)[C@H]1c1ccc(Cl)cc1 33417054 YKPAGHFWHBMDOY-NSXGMPHASA-N 429.903 5.831 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(/C=C\C(=O)c2ccc(-c3ccccc3)cc2)cc1 34954576 IVPOSNCVRGTHPJ-MOSHPQCFSA-N 434.491 6.478 30 10 IKEE C=CCOc1cccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccc(C)cc2)c1 39876736 FZWDDFYBSHAIRT-DEOSSOPVSA-N 441.458 5.555 30 10 IKEE O=[N+]([O-])c1cccc(/C=N/c2ccc3nc(SCc4nc5ccccc5[nH]4)sc3c2)c1 59387260 HMNMQFWMEGYUDQ-FSJBWODESA-N 445.529 6.124 30 10 IKEE CCOc1ccc(/C=C2\S/C(=N/Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1 100243254 ZPQSHBUBRJJJCC-LTUYXDACSA-N 428.557 5.758 30 10 IKEE CCCCCCCOc1cccc(NC(=S)NC(=O)c2ccc(OCCC)cc2)c1 100246705 GSOUJMWWNJVHTI-UHFFFAOYSA-N 428.598 5.951 30 10 IKEE CN1C(=O)C[C@H](C(=O)Nc2ccc(Cl)cc2)S/C1=N\c1ccc(Cl)c(Cl)c1 100262800 MTQVZOZAOVUUOH-VKWHMPGMSA-N 442.755 5.237 30 10 IKEE COc1ccccc1CN1Cc2cc3cc(C)c(C)cc3nc2S/C1=N\C[C@@H]1CCCO1 101493261 BSASZMQBWNRELJ-RIACQAHJSA-N 447.604 5.503 30 10 IKEE CCCCCCCCCCOc1ccc(C2=N/C(=C/c3ccc(OCC)cc3)C(=O)O2)cc1 103299502 LHYNERIHICUYKK-YYADALCUSA-N 449.591 6.949 30 10 IKEE CCCCCCCCOc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 105455154 XKQBOGVQGDINTF-LHLOQNFPSA-N 439.556 5.921 30 10 IKEE CC(C)COc1c(Cl)cc(/C=N\Nc2nc(-c3ccccc3)cc(=O)[nH]2)cc1Cl 169896974 MNXSFLDXRMPVBF-MYKKPKGFSA-N 431.323 5.225 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2cccc(OC)c2)cc1 169928965 LYYHHXWXSFZJPE-QHCPKHFHSA-N 447.462 5.016 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2cccs2)cc1 169985191 OYAWQQLIJFPVPX-QHCPKHFHSA-N 433.529 5.249 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@@H]2c2ccncc2)c1 170017030 JZQUCMJBDSBVQV-XMMPIXPASA-N 440.543 5.779 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccccc2)cc1 170032622 VOMOMAVFKVWXSZ-DEOSSOPVSA-N 427.500 5.567 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2c2ccccc2)c1 170036185 QBAPINNJPXMYCJ-XMMPIXPASA-N 443.499 5.185 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2ccccc2)cc1 170052032 GIQQPTHVDAEPHL-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2sccc2C)cc1C 170106386 NMDBPEBSJRZWDW-QHCPKHFHSA-N 431.557 5.775 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@H]1c1ccccc1OC 170125725 JGAPLCYXRDIHKM-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(N(CC)CC)cc1 170138845 WTBPPSKOFQXLKL-RUZDIDTESA-N 442.559 5.674 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccc(C)c2)cc1C 170141793 YCEXNEYWBMXKNI-DEOSSOPVSA-N 427.500 5.485 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@@H]1c1cccc(C)c1 170146661 SRFYVTNXOAWCJW-NRFANRHFSA-N 427.928 5.426 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccs2)c1 170156342 WVPAJOSGXKUQCK-HJPURHCSSA-N 445.540 5.471 30 10 IKEE CC(C)COc1ccc(N2CC(=O)C(c3nc(-c4ccc(Cl)cc4)cs3)=C2N)cc1 170179875 VJMQZOHDTZKLBN-UHFFFAOYSA-N 439.968 5.215 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2)ccc1Br 170233822 OWYJCRFQZDUPRH-HXUWFJFHSA-N 440.337 5.278 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1ccc(F)cc1 170239071 JFURJCXETKAQSI-JOCHJYFZSA-N 435.426 5.065 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@@H]1c1ccc(F)cc1 170243357 KOPONCCAYZGUBO-QFIPXVFZSA-N 425.500 5.336 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(F)cc2)ccc1OC(C)C 170244243 VINPEWOGPAOOFU-HSZRJFAPSA-N 437.511 5.442 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccc2F)cc1C 170248034 GOTSFQCPBQHKIS-HSZRJFAPSA-N 449.453 5.373 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccco2)cc1C(C)(C)C 170293133 IKUGZXKHMVPNGV-QFIPXVFZSA-N 437.536 5.497 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2ccc(C#N)cc2)o1 170305266 HOYXEEHFQNJOSK-DEOSSOPVSA-N 434.451 5.396 30 10 IKEE CC(C)C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1cccc(Oc2ccccc2)c1 170456329 KGGWNUNKLULHDS-QHCPKHFHSA-N 429.472 5.310 30 10 IKEE O=C1N[C@](c2ccccc2)(C(F)(F)F)SC(=Nc2ccccc2)N1c1ccccc1 252593553 BKVSGKFSOGKEMG-NRFANRHFSA-N 427.451 6.052 30 10 IKEE Cc1ccc2oc(-c3cccc(N=Cc4cc([N+](=O)[O-])cc([N+](=O)[O-])c4O)c3C)nc2c1 252610345 IATNGOIMCLGWNA-UHFFFAOYSA-N 432.392 5.384 30 10 IKEE CCOC(=O)c1ccc(N2C(SC)=NC(=Nc3cccc(C)c3)C23CCCCC3)cc1 252613493 JCJOSZXCNPTOFQ-UHFFFAOYSA-N 435.593 6.144 30 10 IKEE N#Cc1c(Cl)cccc1Nc1cc(I)ccc1Br 302346065 IFKUMTHDJIFYGW-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE CC(C)(C)[C@H](C#N)CNc1c(Br)cc(Br)cc1Br 397598025 REZJSLKTEXMCMG-MRVPVSSYSA-N 438.989 5.572 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccco2)cc1OC 526489960 XZDIVRJUWLZNPZ-QHCPKHFHSA-N 430.460 5.006 30 10 IKEE N#Cc1cccc(CN(Cc2cccc(C(F)(F)F)c2)S(=O)(=O)c2cccs2)c1 586167465 OBKXEKOPWLEHFP-UHFFFAOYSA-N 436.480 5.030 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@]1(C#N)CCc2c(Br)cccc21 698825412 OVMUHPIHPHOGSH-FQEVSTJZSA-N 433.371 5.613 30 10 IKEE C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(Cl)ccc2Cl)[n+]2ccccc2)c1 726573318 AGDYQMSJFXGZNY-UHFFFAOYSA-O 426.348 5.586 30 10 IKEE COc1ccc(/C(C)=C2/SC(=Nc3cccnc3Cl)N(C3CCCCC3)C2=O)cc1 1772733201 LLSDHUIQYLUZRT-SUYASHRRSA-N 441.984 6.070 30 10 IKEE CC(=C/c1ccccc1)/C=C1/SC(=NN=Cc2cccnc2)N(Cc2ccco2)C1=O 1772758300 QWXKTRALIQPCKW-GHOHGLBRSA-N 428.517 5.128 30 10 IKEE S=C(N/N=C\c1cn(-c2ccccc2)nc1-c1cccs1)Nc1ccc(Cl)cc1 1857811672 WKOAJEVLAARQPS-QRVIBDJDSA-N 437.981 5.575 30 10 IKEE CC(C)(C)c1csc(NC(=O)[C@@H]2CCCN(C(=O)CCC3CCCCC3)C2)c1C#N 1860655357 OAQLGVZFZGJCCN-GOSISDBHSA-N 429.630 5.455 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)/C=C/c1ccc(C)cc1)c1ccccc1 1861096821 SOYYJFZCTXBLDU-BDMVNMLNSA-N 434.624 6.123 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCSC)NC(=O)Cc1ccc(Cl)cc1 1861135230 BZFXNNVBSMDCJC-NRFANRHFSA-N 441.081 5.377 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](C)NC(=O)CCCOc1ccccc1Cl 1861703837 TVWQBFNTLAGHTL-IBGZPJMESA-N 425.013 5.261 30 10 IKEE CCCCCCCCCCNC(=O)CNC(=O)c1ccc(OCCCC)c(OCC)c1 1861747446 XNGMOZLJXRDPKH-UHFFFAOYSA-N 434.621 5.251 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1cccc(O)c1 1862381719 GNIRUFXXDOFYAG-HXUWFJFHSA-N 448.346 5.858 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2cccc(O)c2)cc1 1862389280 BXGJDABLILQFGV-RUZDIDTESA-N 447.575 6.036 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 1862397962 POLAKSSEXHGGOH-NRFANRHFSA-N 443.465 5.789 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccc(C)cc2)cc1C 1862400444 FALRKUDTGJZKBX-RUZDIDTESA-N 447.575 6.003 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@@H]2c2ccc(F)cc2)c1 1862413913 NOTZZBAFUZAUDT-QFIPXVFZSA-N 437.417 5.191 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C(C)C)cc1 1862421665 NBHFVBUPZDJHJU-OAQYLSRUSA-N 429.463 5.130 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccccc2Cl)=C(O)C(=O)N1CCCOC(C)C 1862429153 HGMWUKSOBYSXAF-OAQYLSRUSA-N 427.928 5.042 30 10 IKEE COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCC2)ccc1OC(C)C 1862483921 HCCWFBJCPWVVAD-XMMPIXPASA-N 449.547 5.312 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862487034 QWPCMNHOEPLDBQ-DEOSSOPVSA-N 429.491 5.529 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccccc2Cl)c1 1862491161 MZXQYDZIRKAPLI-QHCPKHFHSA-N 437.967 6.258 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccc(OCCC)cc2)cc1 1862520702 PVNUPEZOBHZSIO-HSZRJFAPSA-N 437.536 5.251 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862532824 GMEHDUWCXSSMOK-JOCHJYFZSA-N 434.492 5.068 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 1862580657 PIHIGLGKQPPXBB-UZLBHIALSA-N 446.330 5.059 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccccc1[N+](=O)[O-])c1cccc2ccccc12 1862654741 QVSJYYQACDDRSK-QHCPKHFHSA-N 442.471 5.269 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@H]2c2ccccc2C)c1 1862698955 OXAQZBYMMNYZTQ-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862705829 HWRTXOMEBHSDQQ-YJYMSZOUSA-N 433.426 5.091 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2Cc2ccccn2)cc1 1862715001 JQZXKTMESXUFNP-SANMLTNESA-N 448.522 5.576 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862721614 QSFGONCLNASMMN-NRFANRHFSA-N 438.310 5.911 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862727925 PBGZXQBGNRKEQP-QHCPKHFHSA-N 442.471 5.250 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(OC)cc2)C1=O 1863336948 RGWVHPXAHFDEMB-FQEVSTJZSA-N 431.536 5.118 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(OCCCC)cc2)=C(c2ccc(OC(C)C)cc2)C1=O 1863361123 YVWVZACFWKVYIJ-UHFFFAOYSA-N 434.536 5.031 30 10 IKEE COCCc1nc(Nc2cccc(C#N)c2)cc(N2C[C@@H](C)Cc3c(C)ccc(C)c32)n1 1868246343 HRIOFHFDEIFONT-KRWDZBQOSA-N 427.552 5.228 30 10 IKEE COc1ccc2c(c1)C[C@@H](C)CN2c1cc(Nc2cccc(C#N)c2)nc(C(C)(C)C)n1 1868333720 RRXHGIPEKQIRJZ-QGZVFWFLSA-N 427.552 5.728 30 10 IKEE COc1ccc2c(c1)CCN(c1cc(Nc3ccccc3C#N)nc(C(C)(C)C)n1)[C@H]2C 1868351557 YMVDRMCLFWNNPD-KRWDZBQOSA-N 427.552 5.522 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(C(C)C)cc2)cn1Cc1ccccn1 1870471571 MBXSKTZJOPFKTP-UHFFFAOYSA-N 443.591 5.168 30 10 IKEE CCCCCCCCn1cc(OCc2c(C)noc2C)c(=O)cc1CNc1ccccc1 1871011997 MMVPKWZIGJPCJU-UHFFFAOYSA-N 437.584 6.005 30 10 IKEE Cc1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2ccccc2OC(F)F)C4=O)cc1 1871345743 LBVXYUCSAIOJDK-FMCGGJTJSA-N 449.453 5.565 30 10 IKEE COc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3ccccc3F)C4)C2=O)cc1 1871352606 SFYUDZDOULSQBD-KSEXSDGBSA-N 431.463 5.111 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc2c(c1C)O/C(=C\c1ccncc1)C2=O 1871370815 BFDSWMYFMRPYJP-KQWNVCNZSA-N 429.472 5.079 30 10 IKEE Cc1cc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(F)c2)C3=O)ccc1[N+](=O)[O-] 1871373821 VIWXUWXBUHSBOG-MTJSOVHGSA-N 433.391 5.186 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)COc4ccc(Cl)cc4)cc(C)c3C2=O)cc1 1871381315 UEGANZXTEZAWSF-QRVIBDJDSA-N 448.902 5.811 30 10 IKEE Cc1c(OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)ccc2c1O/C(=C\c1cccc(F)c1)C2=O 1871382182 NDTOGBALOFXIPZ-BWXIOLLUSA-N 445.402 5.277 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2)C3=O)cc1 1871389377 SBUHOZAPPFKXFZ-HMAPJEAMSA-N 428.440 5.146 30 10 IKEE CCCCOC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 1871400326 WNBOAGKXDBWKNL-ODLFYWEKSA-N 435.303 5.640 30 10 IKEE Cc1ccccc1OCCCCOc1ccc2c(c1C)O/C(=C\c1cccc(F)c1)C2=O 1871404173 FWCQNMZCANBVAN-UQQQWYQISA-N 432.491 6.297 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871408531 XNTUHAQIBYEQSB-PDESAOGPSA-N 429.472 5.026 30 10 IKEE COc1ccc(OCCOc2cc(C)c3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871414811 QFCWABMOEAMGCI-AJRXITOCSA-N 428.484 5.634 30 10 IKEE Cc1cc(OCc2ccc(C#N)cc2)cc2c1C(=O)/C(=C/c1c(Cl)cccc1Cl)O2 1871417274 GDFYBFKVSPRHKQ-JJFYIABZSA-N 436.294 6.369 30 10 IKEE CCCN(CCC)C(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O 1871430677 OCOAEFAXZLKKHJ-BKUYFWCQSA-N 427.928 5.292 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(C(C)C)cc1)c1ccccc1)S(=O)(=O)c1ccccc1 1871843606 HKTWZSMBUPWGDZ-RUZDIDTESA-N 448.588 5.367 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc2[nH]c(-c3ccc(OC(C)C)cc3)nc2c1 1872739495 PWRHWCZOCNTZBI-UHFFFAOYSA-N 435.612 6.888 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@@H](C#N)C(=O)/C=C/c3cccc([N+](=O)[O-])c3)n2)c1C 1872778067 CMTXCJLAYFUOKJ-IBDYFIJFSA-N 431.517 5.842 30 10 IKEE Cc1nc(SCc2cccc(C(=O)Nc3cccc(Cl)c3C)c2)c(C#N)c(C)c1C 1872893573 ZSBMJCSOBYJNEC-UHFFFAOYSA-N 435.980 6.385 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2C)C(=O)N(Cc2ccc(Cl)cc2)C1=O 1873104445 ZFAFUJVFCGDUFN-UHFFFAOYSA-N 438.999 5.879 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C)c2C)cc2c(NCc3ccc(OC)cc3)ncnc21 1873635921 BXTKNZDYVHUCNU-UHFFFAOYSA-N 441.535 5.107 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1cc(Cl)ccc1O 1874264659 JPYNJWZRVKYLFO-SSDVNMTOSA-N 435.336 5.030 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1c[nH]c2ccccc12 1874264963 SPYIWJJEANAPKO-ZMOGYAJESA-N 425.945 5.376 30 10 IKEE Clc1ccccc1OCc1nnc(SCc2ccccc2)n1/N=C/c1cccs1 1874266831 QQYSAPDHWRPTJL-YDZHTSKRSA-N 440.981 5.747 30 10 IKEE CCCSc1nnc(Cc2ccc(OCC)cc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874304407 XCYUKTWPBPCDIZ-CVKSISIWSA-N 448.514 5.671 30 10 IKEE Cc1ccc(CSc2nnc(COc3cccc(C)c3C)n2/N=C/c2ccccn2)cc1 1874322267 IZRJDQTWXLOGNJ-JFLMPSFJSA-N 443.576 5.352 30 10 IKEE COc1ccc(Cc2nnc(SC)n2/N=C/c2cccc(OCc3ccccc3)c2)cc1 1874347758 DYJQJXUJQPZFGA-YZSQISJMSA-N 444.560 5.061 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccccc2O)cc1C 1874357398 FHUVJCXFNYNBGJ-JFLMPSFJSA-N 446.551 5.505 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(F)cc3)n2/N=C/c2ccccc2C)cc1 1874379364 OBWFYOMJAQEGQN-JVWAILMASA-N 430.552 5.799 30 10 IKEE C(=N/n1c(SCCc2ccccc2)nnc1-c1cccs1)\c1c[nH]c2ccccc12 1874422885 JSDBDAZMCWNFJU-PCLIKHOPSA-N 429.574 5.705 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2/N=C/c2ccccc2)c(C)c1 1874424801 DEBAQXCVUGQXIH-ZVHZXABRSA-N 447.589 5.236 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2ccccc2)nnc1-c1ccccc1 1874427781 AJIJVCFFHDZWNV-NLRVBDNBSA-N 426.545 5.684 30 10 IKEE Cc1ccccc1/C=N/n1c(CC(C)(C)C)nnc1SCc1cccc2ccccc12 1874439934 AWNGABYPJZQJMY-WPWMEQJKSA-N 428.605 6.503 30 10 IKEE Fc1cccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C2CCCC2)c1 1874457063 YGXADSYEGSPZJL-BRJLIKDPSA-N 449.382 6.556 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2cccc(C)c2)cc1 1874483542 AXJXQQAJKYNFSS-MFKUBSTISA-N 435.597 5.059 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1cccc2ccccc12 1874485420 TXCOPGLOPJWOPI-CVKSISIWSA-N 434.996 6.557 30 10 IKEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(C)cc3)nnc2C2CCC2)cc1 1874493898 KAOUFRFMNDDGNX-MFKUBSTISA-N 433.581 5.029 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2ccc(Cl)cc2)c1 1874516135 IHEWFFGCETXNSP-WYMPLXKRSA-N 439.972 5.039 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2C2CC2)cc1 1874519673 GIOHVXVQQSDYFF-WPWMEQJKSA-N 448.636 6.516 30 10 IKEE CCCOC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(-c2ccccc2)cc1 1874570468 ZMOIFONBNDZVOB-WYMLVPIESA-N 434.919 6.235 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc3c(c2)CCCC3)c1 1874571992 QXHZZFJXXJOWNT-FOCLMDBBSA-N 439.555 6.096 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc(Cl)cc2/C=C/C(=O)c2cc(C)ccc2C)c1 1874580205 CJMSWDZJYRCYHG-VQHVLOKHSA-N 447.962 6.487 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1OCc1ccccc1C 1874593259 AOLNCSRCTWQJIV-NTUHNPAUSA-N 437.333 6.241 30 10 IKEE Cc1ccc(NC(=O)COc2cccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)c2)c(C)c1 1874596886 ICEYSRVDSAPNIV-MHWRWJLKSA-N 441.571 6.515 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc(Cl)c1OCCCO 1874601619 UECRQHJUROZCGU-NTEUORMPSA-N 436.935 6.063 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)c(OCc3cc(C)ccc3C)c(OC)c2)cc1 1874604523 RLIOEGZBRLCVPW-JLHYYAGUSA-N 434.963 7.003 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OCC(=O)Nc1cccc(C)c1 1874608424 NSZHWKGUGPWSPI-ACCUITESSA-N 449.934 5.961 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(Br)c1OCCO 1874622784 VHIDLBQDBDRYRC-IZZDOVSWSA-N 447.369 5.413 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OCC(=O)NC3CCCCC3)c(Cl)c2)cc1 1874624021 HRHVDWBWWKTSJB-RIYZIHGNSA-N 439.983 6.187 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)CCc1ccccc1C 1874698444 WUAPZFRDTXYFNS-VGOFMYFVSA-N 445.471 5.346 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCOC)c2)cc1OCCC 1874699686 IFYADFQDIBGNFP-PKNBQFBNSA-N 426.509 5.102 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OC(=O)c2cc(Cl)ccc2Cl)c1 1874704641 WAPFFZDXCYAVNK-JXMROGBWSA-N 441.310 6.426 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cccc(OC(=O)c3cncc(C)c3)c2)c1 1874711764 JPEBYOZDPJYSLY-PKNBQFBNSA-N 431.488 5.303 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OC(=O)COc1c(C)cccc1C 1874713856 QZEAKPYDDBNIMK-JLHYYAGUSA-N 444.527 5.809 30 10 IKEE Cc1ccsc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1Cl 1875097337 GOWFJJXLBPKUJV-UXBLZVDNSA-N 436.960 6.704 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(Cl)c1OC(=O)c1ccco1 1875101904 HECPFNZIUIHSGB-MDZDMXLPSA-N 426.852 5.456 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)ccc1OC(=O)COc1ccccc1 1875103150 MOGMRRZPEBYDFY-FOWTUZBSSA-N 430.500 5.528 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-])c1ccccn1 1875105147 GKBPHUFEOARULC-XBXARRHUSA-N 443.242 5.412 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)ccc1OC(=O)c1cncc(C)c1 1875109512 QZKHKRVOURPAFE-RMKNXTFCSA-N 431.488 5.221 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(-c3ccccc3)cc2)cc1 1875118033 NGFUNRHTRCLGRE-DEDYPNTBSA-N 434.491 6.478 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc(Cl)ccc3OC)cc2)cc1 1875129628 MBWNCZWUPIQQCE-MKMNVTDBSA-N 436.891 5.863 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)Cc1ccc(C)c(C)c1 1875132169 ISROEPLICNUHBM-FMIVXFBMSA-N 448.946 6.318 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)Cc1ccccc1F 1875133929 MOQNTCQVGJKRSR-JLHYYAGUSA-N 432.491 5.885 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(F)cc2F)c(Cl)c1 1875143392 XDSOAPYLUNDKTL-XBXARRHUSA-N 442.845 6.051 30 10 IKEE Cc1ccccc1CCC(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1Cl 1875149729 DYRQJDKMAVHMHO-UXBLZVDNSA-N 448.902 5.811 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(-c3ccccc3)cc2)cc1)c1ccc2c(c1)OCO2 1875150313 GZNWIDXMUQFUPQ-LZYBPNLTSA-N 448.474 6.198 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccccc2F)cc1 1875161257 HPZQGQIIPNKSKE-RVDMUPIBSA-N 432.491 6.247 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc1OC 1875161529 VFBZMRQRXUCJMV-PKNBQFBNSA-N 444.955 6.256 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1OCC 1875169674 XFOTXSMHTUVYNK-ZHACJKMWSA-N 428.956 6.574 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCOc3ccccc3)c(Cl)c2)cc1C 1875175530 ULQQVOCYHXVDMJ-FMIVXFBMSA-N 434.919 6.227 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C(F)(F)F)c([N+](=O)[O-])c1)c1cc(Cl)ccc1Cl 1875189214 DOTYXENKFQBAEU-ORCRQEGFSA-N 434.153 5.265 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(Cl)ccc3Cl)cc2)c1 1875191511 PYRXCKMHUMWMCY-KPKJPENVSA-N 427.283 6.117 30 10 IKEE C[C@@H]1CCC[C@](C#N)([C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1 1875690583 WFHCOLOJTFWGCX-YDTRGFDASA-N 441.571 6.598 30 10 IKEE N#Cc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Br)s2)cc1 1890776278 DEWRMNCMKBPRRF-UHFFFAOYSA-N 449.333 5.487 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1C(C)(C)[C@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 1907890849 NQEMQBXUSXVBPS-NXMSCROESA-N 433.593 5.094 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](O)c1cccc(Cl)c1Br 1922069217 OYOUZHQDYPYSJM-LEWJYISDSA-N 438.793 5.277 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@]1(C#N)Nc1cccc(Br)c1 1924921536 PYSYJVZUVZGZJT-YCRPNKLZSA-N 434.378 5.228 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C1 1949184693 NIPHBASNXPNACJ-DEOSSOPVSA-N 427.545 5.111 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@]1(C#N)CC[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C1 2001955989 OBXUIGXCGOIEJR-XLNZFTOWSA-N 435.609 5.341 30 10 IKEE Cc1cc(C)cc(-c2cc(C=Cc3cccc(Cl)c3)c(C#N)c3nc4ccccc4n23)c1 2040461246 GNZUKEZCCBPZTM-UHFFFAOYSA-N 433.942 7.467 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)CC2(C)C)cc1 2065978093 CHIRRLSZZBHILB-RUZDIDTESA-N 443.588 5.666 30 10 IKEE Cc1ccc([C@H](n2nc(C(F)(F)F)c(C#N)c2I)C2(C)CC2)cc1 2079040994 QMMAQWGTYDXPBP-AWEZNQCLSA-N 445.226 5.076 30 10 IKEE Fc1cc(Cn2nc(C3CCC3)c(C(F)(F)F)c2Br)ccc1C(F)(F)F 2079823989 OCUIEUUFPOONQX-UHFFFAOYSA-N 445.176 6.138 30 10 IKEE CC(C)c1nn([C@@H](c2ccc(C(F)(F)F)cc2)C2(C)CC2)c(Br)c1C=NO 2079848370 HEBVZQVWWWLPRU-INIZCTEOSA-N 444.295 5.985 30 10 IKEE CCCc1ccc([C@@H](CC)n2nc(C(C)(C)C)c(C#N)c2I)cc1 2079880213 CRKNHBXWYQIHDQ-QGZVFWFLSA-N 435.353 5.609 30 10 IKEE Cc1ccc([C@@H](n2nc(C(F)(F)F)c(C#N)c2Br)C2(C)CC2)c(F)c1F 2079951582 UVGJPNSEQDNPID-CQSZACIVSA-N 434.206 5.512 30 10 IKEE CCCOc1ccc([C@@H](C2CC2)n2nc(C(F)F)c(C=NO)c2Br)cc1 2080086550 DCTHFRWHQVOBAE-MRXNPFEDSA-N 428.277 5.180 30 10 IKEE Fc1ccc(-c2c(C(F)(F)F)nn([C@@H]3CCOC3)c2Br)cc1C(F)(F)F 2080822330 MZTMWJOPLFVFST-MRVPVSSYSA-N 447.148 5.451 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@H](Nc3ccc(C#N)cc3Br)C[C@@H]21 2166974553 DZYSJWNDRFFPOK-GJYPPUQNSA-N 434.378 5.301 30 10 IKEE CN(C(=O)OC(C)(C)C)C1CCC(N(C)c2cc(Br)c(C#N)cc2F)CC1 2174811688 BFDCNVILDNKYLW-UHFFFAOYSA-N 440.357 5.074 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](Nc2cc(Br)cc(F)c2C#N)C[C@H]1C1CC1 2198267718 VWXQCYINFKAOER-KSSFIOAISA-N 438.341 5.050 30 10 IKEE CCCCCC#CC[C@@H](NCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2203809285 FEDPKHLIQBBAKF-LJQANCHMSA-N 437.422 6.421 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(C(F)(F)F)ccc1Br 2228089825 VTKSCQUQLICLGY-OAHLLOKOSA-N 435.284 5.926 30 10 IKEE C=CCC[C@@H](NCCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229125969 KHJUVOHBNRNEKF-RTBURBONSA-N 425.411 5.219 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCC12CC(F)(F)C2 2230725368 WLMPPJQVAADMOM-GOSISDBHSA-N 427.289 5.662 30 10 IKEE C=C(C)CC[C@H](NCCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237399165 HFJYZTWMKGQGHA-PMACEKPBSA-N 439.438 5.609 30 10 IKEE CCCC#C[C@@H](NCCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237416034 KQYXOYIBXZSJEA-WOJBJXKFSA-N 437.422 5.057 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1sc(Br)c(C)c1C 2254700438 ZHUQCFRVXOGRTC-HUUCEWRRSA-N 431.440 5.638 30 10 IKEE Cc1cc(NC(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)ccc1NC(=O)OC(C)(C)C 2255612507 RSPFQXJTHSCZDL-IYBDPMFKSA-N 430.354 5.153 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](Cc2c(F)cccc2Br)NCCC)C1 2289562390 VWYPNLWZZHVHCC-SFHVURJKSA-N 441.385 5.112 30 10 IKEE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S 2296729335 BBABVYNQFCBUHX-UHFFFAOYSA-N 437.977 5.580 30 10 IKEE CC(C)[C@H]1CC(CCN=Cc2ccc(N(C)C)cc2)(c2ccc(F)cc2)C[C@H](C(C)C)O1 2297590552 WDVYMEQCQYFSKG-KAYWLYCHSA-N 438.631 6.498 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)[C@H]2CC[C@H]21 2309991212 VONGSPDVQJHEDC-GLDPYIMESA-N 445.535 5.249 30 10 IKEE O=C1NC(=Nc2ccc(F)cc2)C(=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)S1 2314482403 KHGFFVSZZAJXJI-UHFFFAOYSA-N 432.398 6.632 30 10 IKEE CC(=O)Nc1ccc(C(=O)C=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 2314522889 BVSZWZXSSLUKKD-UHFFFAOYSA-N 441.918 6.047 30 10 IKEE COc1ccc(C=Nn2c(C)nnc2SCc2cc(C)ccc2C)cc1Br 2318571257 GMANSVMOTAATTL-UHFFFAOYSA-N 445.386 5.149 30 10 IKEE COc1cc(C=Nn2cnnc2SCc2ccccc2C)ccc1OCc1ccccc1 2321230145 SUDBNBRFXVENPZ-UHFFFAOYSA-N 444.560 5.349 30 10 IKEE COC(=O)c1ccc(C=C2Oc3cc(OCc4cc(C)ccc4C)cc(C)c3C2=O)cc1 2321759991 UMYMTIGDSCDWQH-UHFFFAOYSA-N 428.484 5.594 30 10 IKEE Cc1cccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3ccc(Cl)cc3)C4)C2=O)c1 2322305529 POTWNZGPEZKWJI-UHFFFAOYSA-N 431.919 5.925 30 10 IKEE CCOc1ccc(C(=O)C=Cc2c(OCC(=O)OCC(C)C)ccc3ccccc23)cc1 2322549816 ZZDRYQWSOLXMNE-UHFFFAOYSA-N 432.516 5.713 30 10 IKEE COc1cc(C=NNc2ccc(C)cc2)ccc1OCc1c(Cl)ccc(Cl)c1Cl 2322927141 NENHASQKPRXHSQ-UHFFFAOYSA-N 449.765 6.989 30 10 IKEE O=C(COc1cccc(C=CC(=O)c2ccc(Cl)cc2Cl)c1)Nc1ccc(F)cc1 2323075962 CBZHSKSGDPIRAT-UHFFFAOYSA-N 444.289 6.046 30 10 IKEE C=CCOc1c(OC)ccc(C=CC(=O)c2ccc(CCCC)cc2)c1Br 2323076261 VZAMISAYISQOSG-UHFFFAOYSA-N 429.354 6.261 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1C 2323580484 WXEOYRJOCKYJEB-UHFFFAOYSA-N 433.460 5.396 30 10 IKEE Cc1c(OC(=O)c2ccc(OCC(C)C)cc2)ccc2c1OC(=Cc1cccc(F)c1)C2=O 2323635291 FXGPOLSKHABFEC-UHFFFAOYSA-N 446.474 6.004 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)c4cccc(OC(C)C)c4)ccc3C2=O)cc1 2323808015 PYPNIPLLOXUOBL-UHFFFAOYSA-N 430.456 5.318 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)C=Cc1ccc(OCC)cc1 2323831274 OHNCVWJDFGMATO-AREMUKBSSA-N 430.633 5.640 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1cccc(F)c1 2323889930 QRDBPGAIIMBXAT-UHFFFAOYSA-N 445.317 7.006 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2[N+](=O)[O-])o1 2323949637 YCZLYUVPPQYKIT-UHFFFAOYSA-N 449.459 5.456 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Cl)c1OCC(=O)OCC(C)C 2323953059 QCNZQGYBMIHMGY-UHFFFAOYSA-N 444.955 5.830 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Cl)c1OCc1cccc(Cl)c1 2323960201 GZQGKRRIBUWVIO-UHFFFAOYSA-N 445.317 6.925 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 2324055366 BPMMFJXBBCBXKR-UHFFFAOYSA-N 441.571 6.515 30 10 IKEE Cc1cc(O)c(CN(C)Cc2ccccc2)c2c1C(=O)C(=Cc1cn(C)c3ccccc13)O2 2324077542 BMXNQPQNYSZFBS-UHFFFAOYSA-N 438.527 5.441 30 10 IKEE Cc1ccccc1C=C1Oc2c(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c(O)cc(C)c2C1=O 2324097738 FTRCRSHTQWQWHI-NGOKVRLYSA-N 431.576 6.026 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)cc(Cl)c1OCc1ccccc1C 2324128287 BIJCNZLYGUCDND-UHFFFAOYSA-N 442.942 7.285 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OCC(=O)NCc3ccccc3)c(Cl)c2)cc1 2324158604 COGXWPXJLYPEEZ-UHFFFAOYSA-N 447.962 6.055 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2cc(OCC)c(OC)c([N+](=O)[O-])c2)cc1 2324209989 BHRIYNOANLGRAE-UHFFFAOYSA-N 441.524 6.247 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCc3cccc(Cl)c3)cc2)c(OCC)c1 2324478410 ZCDLAIBQGCZEGX-UHFFFAOYSA-N 436.935 6.613 30 10 IKEE COC(=O)c1cccc(COc2ccc3c(c2)OC(=Cc2cn(C)c4ccccc24)C3=O)c1 2324745286 AWGKAMABLPEUPT-UHFFFAOYSA-N 439.467 5.160 30 10 IKEE CCCCCOC(=O)COc1ccc2c(c1)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2325041197 LYNOHPLDYRPXJP-UHFFFAOYSA-N 442.511 6.082 30 10 IKEE CCn1cc(C=C2Oc3cc(OCCC(=O)OCCC(C)C)ccc3C2=O)c2ccccc21 2325103748 FYQINAMNQCHHDE-UHFFFAOYSA-N 447.531 5.636 30 10 IKEE CCCN(CCC)C(=O)COc1cc(C)c2c(c1)OC(=Cc1c(F)cccc1Cl)C2=O 2325198653 ORMFKHGJDWQXSY-UHFFFAOYSA-N 445.918 5.431 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1c(F)cccc1Cl 2325565309 SPRGANJYACGVMF-UHFFFAOYSA-N 438.959 6.351 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(OC(=O)CC)c(OC)cc2Br)cc1 2325734336 LQJPGKNBWKIARJ-UHFFFAOYSA-N 433.298 5.068 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4)cc(C)c3C2=O)cc1 2325740219 NDEOQEDPOUSJKB-UHFFFAOYSA-N 429.472 5.027 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2OC)cc1OC(=O)Cc1ccc(C)cc1 2325742289 YYXKDGWZPSBARU-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE Cc1ccc(C(=O)Oc2cccc(C=CC(=O)c3cc(C(C)(C)C)ccc3C)c2)cc1C 2325765829 PHZLSFRZZDTGET-UHFFFAOYSA-N 426.556 7.025 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)C=Cc1ccc(C(=O)OC)cc1 2325812477 VAGMFTFICNICEB-AREMUKBSSA-N 444.616 5.028 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccc(O)cc1 2326083976 SAIFROQUZCCUKC-UHFFFAOYSA-N 430.961 5.033 30 10 IKEE CCOc1ccccc1OCc1nnc(SCC)n1N=Cc1ccccc1OC(C)C 2326823734 DICMDIBKZRJVNH-UHFFFAOYSA-N 440.569 5.037 30 10 IKEE CCCSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1cccc2ccccc12 2327385609 SYRBFWLBFYPFNJ-UHFFFAOYSA-N 444.604 6.347 30 10 IKEE C=CCSc1nnc(COc2c(C)cccc2C)n1N=Cc1ccccc1OC(C)C 2328559345 NNQIAETUFRLWRV-UHFFFAOYSA-N 436.581 5.421 30 10 IKEE C=CCSc1nnc(CCc2ccc(OC)cc2)n1N=Cc1ccc(Cl)c(Cl)c1 2328579833 ZBYFNTOEHGPQHL-UHFFFAOYSA-N 447.391 5.539 30 10 IKEE Fc1ccc(CSc2nnc(COCc3ccccc3)n2N=Cc2ccccc2)cc1 2329313352 DBNLHQMIEWDIAQ-UHFFFAOYSA-N 432.524 5.309 30 10 IKEE CCCSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1ccc(Br)cc1 2329438944 IJUUQJUNYIUUIO-UHFFFAOYSA-N 443.414 5.633 30 10 IKEE C=CCSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(OCCCCC)cc1 2329588269 HMABEGWEOJBQDZ-UHFFFAOYSA-N 441.000 6.328 30 10 IKEE CCCSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(N(CC)CC)cc1 2329599683 HKJDPFOKOOOJCN-UHFFFAOYSA-N 428.005 5.829 30 10 IKEE CCCCOc1ccc(C=Nn2c(CCc3cccs3)nnc2SC)cc1OCC 2329624243 CFFGMGIKGSXLMT-UHFFFAOYSA-N 444.626 5.307 30 10 IKEE Cc1cccc(CSc2nnc(-c3cccs3)n2N=Cc2cccc([N+](=O)[O-])c2)c1 2330549439 BOBUYGINWPFFBB-UHFFFAOYSA-N 435.534 5.398 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)cc1 2330952869 APRDEXDBUOTBAY-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)CCCSC)c(Br)c1 2331065770 BVFARAIXGBEZPU-UHFFFAOYSA-N 449.366 5.402 30 10 IKEE CCOc1cc(C=Nn2c(SC)nnc2-c2ccco2)ccc1OCc1ccccc1C 2331165196 JSBIJSBWEBQLKB-UHFFFAOYSA-N 448.548 5.428 30 10 IKEE O=C(Cc1ccc(Cl)c(Cl)c1)Oc1ccc(C=CC(=O)c2ccccc2)cc1Cl 2331165738 WRFCGZNKHVCFFJ-UHFFFAOYSA-N 445.729 6.691 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2Br)c1 2331167689 JQTCQZMSFWMKEO-UHFFFAOYSA-N 449.344 6.110 30 10 IKEE Cc1cccc(C=Nn2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2-c2ccco2)c1 2331174098 SDCBQJHODZOHDW-UHFFFAOYSA-N 445.548 5.076 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)CCc2ccccc2)c([N+](=O)[O-])c1 2331362425 IWRDIMBJZIYFAU-UHFFFAOYSA-N 445.471 5.346 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(F)c2)cc(Cl)c1OC(=O)CC(C)(C)C 2331460665 RSVPJHUYIKZOBE-UHFFFAOYSA-N 448.918 6.124 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)ccc1OC(=O)C(C)C 2331597024 LUSKXIBVGAEUIR-UHFFFAOYSA-N 430.500 6.335 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C(C)C)c1 2331709391 OMBHZMFHBWKUBF-UHFFFAOYSA-N 449.407 6.282 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(OC)cc2OC)cc1OCC 2331726331 ZIGPOJOOUXVZNE-UHFFFAOYSA-N 432.900 5.358 30 10 IKEE CC1(C)OB(/C=C/c2ccc(Oc3cc(Br)ccc3Cl)nc2)OC1(C)C 2365125833 YAKBYLSRZYACDE-MDZDMXLPSA-N 436.542 5.934 30 10 IKEE Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)/C=C/c3ccccc3Cl)cc(C)c2c1 12241580 BHSDSEBKBVORSE-CMDGGOBGSA-N 441.922 5.523 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c[nH]c3ccccc13)N2 14544843 WHZBANUYPOABQG-HEKZAOSPSA-N 445.588 5.357 30 10 IKEE CN1/C(=C2\S/C(=N/Cc3ccccc3)N(C3CCCCC3)C2=O)Sc2ccccc21 15945481 VQFJVUYSBOEGII-PSBCSISTSA-N 435.618 5.862 30 10 IKEE O=C(/C=C1/S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)Nc1cccc(Cl)c1 20353538 GZDUYTRYVKOIIC-WXECKQFNSA-N 433.920 5.630 30 10 IKEE CCCCCSc1nc2n(n1)[C@H](c1ccccc1OCC)C1=C(CC(C)(C)CC1=O)N2 20850891 XJDHSOJMMPNYJU-OAQYLSRUSA-N 440.613 5.617 30 10 IKEE O=C1C[C@@H](c2ccccc2Cl)CC2=C1[C@H](c1c[nH]c3ccccc13)Nc1ccccc1N2 21223423 MKDXKLPBPOAZEA-OQRWROFFSA-N 439.946 6.801 30 10 IKEE C[C@@H](Nc1ccc(C#N)cc1Br)c1ccc(I)cc1 37302228 JNARYSQSSHPWDD-SNVBAGLBSA-N 427.083 5.098 30 10 IKEE C=CCc1ccc(OCCn2c(COc3ccccc3C)nc3ccccc32)c(OC)c1 40233767 OXLPTJILOLVWQO-UHFFFAOYSA-N 428.532 5.740 30 10 IKEE COc1cccc(-c2c(C#N)c(SCc3ccc(F)cc3)nc3c2CN(C)CC3)c1OC 40569900 PWTLPFSWQYJRTN-UHFFFAOYSA-N 449.551 5.057 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)c4cccc(OC)c4)cc(C)c3C2=O)cc1 41287628 FRNXHXZSBMRNAI-QRVIBDJDSA-N 430.456 5.238 30 10 IKEE Cc1ccc(CN2COc3c(cc4c(c3C)O/C(=C\c3ccc([N+](=O)[O-])cc3)C4=O)C2)cc1 41588172 PHRVXVYKYMNSRX-KSEXSDGBSA-N 442.471 5.180 30 10 IKEE C=CCSC1=N/C(=C\c2ccc(OC(C)C)cc2)C(=O)N1c1ccc(OC)c(Cl)c1 96448954 FPMODSGDTICMFM-MOSHPQCFSA-N 442.968 5.799 30 10 IKEE N#Cc1cccc(Cn2c(Cc3ccccc3)nc3scc(-c4ccccc4)c3c2=O)c1 96533985 VDEWNWFTQZGPOY-UHFFFAOYSA-N 433.536 5.636 30 10 IKEE CCCCCCCCCCCCCCCCNCC(=O)Nc1ccccc1OCCCC 100055781 RACCIVHSBDIJMJ-UHFFFAOYSA-N 446.720 7.875 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 100351618 VHNLTAOOLJKMRA-DFIYOIEZSA-N 440.971 7.424 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 100353741 KERKURAQSTYQPD-UMEGOILYSA-N 440.971 7.424 30 10 IKEE O=C1C(=O)N(c2ccccc2)[C@H](c2ccccc2)/C1=C(/O)c1ccc(Br)cc1 102903753 AQIAOSBTZOGYBE-GOBJLOIFSA-N 434.289 5.075 30 10 IKEE CCCCCCCC1=NN2C(=N)/C(=C\c3cc(Cl)c(O)c(Cl)c3)C(=O)N=C2S1 103680320 VQEACJSJGZUGLJ-SWGFWHAOSA-N 439.368 5.679 30 10 IKEE CC(C)(C)c1ccc(S(=O)(=O)/N=C2\C=C(Nc3ccccc3)C(=O)c3ccccc32)cc1 103746154 PFTSWONMVBFREO-WEMUOSSPSA-N 444.556 5.354 30 10 IKEE Cc1ccc(SC2=C/C(=N/S(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1 103746882 IAUZUAMSUXQGME-PYCFMQQDSA-N 425.556 5.107 30 10 IKEE CCOc1c(Cl)cc(/C=N/NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1Cl 169902780 OKJSRBHBLWJNOC-DNTJNYDQSA-N 442.151 5.011 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2cccc(C)c2C)cc1 169924984 ZEMZAZMSXGARQT-RUZDIDTESA-N 441.527 5.712 30 10 IKEE COc1ccc(-c2csc(N/N=C\c3ccc(OCc4ccccc4)c(Cl)c3)n2)cc1 169939965 WSFGQPDEUOXTCR-WGARJPEWSA-N 449.963 6.497 30 10 IKEE CCCCCOc1c(OC)cc(/C=N\Nc2nc(-c3ccccc3)cs2)cc1[N+](=O)[O-] 169941249 KFOSZLUSGVFVCC-UCQKPKSFSA-N 440.525 5.742 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2cccc(C)c2)cc1 169969575 QFUNTFKLKLFPTI-NRFANRHFSA-N 448.544 5.250 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccnc1 170006145 CXPXDAWQOUKHQP-JOCHJYFZSA-N 444.874 5.573 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(O)c(Cl)c1)c1ccc(Cl)cc1 170040907 XHDJVHUSBFIRLE-HXUWFJFHSA-N 440.282 5.482 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(C(C)C)cc2)cc1 170068052 VLKKHKDIOPQLBB-VWLOTQADSA-N 440.543 5.546 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccccc1C 170087608 KAHFCEXMPFKXAJ-RUZDIDTESA-N 441.527 5.399 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@H]2c2ccco2)c1 170092448 HPTKKKNFEROPAR-FQEVSTJZSA-N 441.842 5.254 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccco2)ccc1F 170098172 YFQLJQAMYNAFMR-IBGZPJMESA-N 434.448 5.120 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccc(C)c2)cc1C 170141883 BWILYEHHNLLZSV-XMMPIXPASA-N 427.500 5.403 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccs2)c1 170160388 JSODQOUEQNOHGT-LJQANCHMSA-N 425.893 5.198 30 10 IKEE Cc1cc(Cl)ccc1NC1=C(c2ccc(Cl)cc2)C(=O)N(c2ccc(C#N)cc2)C1=O 170169375 RLUBPVQFZVNTHF-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccccn1)c1ccc2ccccc2c1 170182540 CKGAQDOJOSGQQG-DEOSSOPVSA-N 438.458 5.152 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccncc2)c1 170204342 WTXLDIAEYOXTEE-JOCHJYFZSA-N 448.906 5.225 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3cc(C)cc(C)c3OC)=C(O)C(=O)N2CCC)cc1 170215608 XGPMHWWCXQBKHD-QFIPXVFZSA-N 437.536 5.089 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccccc2)cc1 170230073 WGXJVTUVXWWHKU-UPVQGACJSA-N 449.547 5.013 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(Cl)cc2)c1 170236931 KMSNVPZOXMRCBG-NRFANRHFSA-N 425.912 5.260 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccc(F)cc2)c1 170238900 RALIOKRRIIEONF-VWLOTQADSA-N 437.470 6.070 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2F)c1 170249043 HSTQDDLKSREVNV-HSZRJFAPSA-N 431.463 5.397 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2C2CCCC2)cc1 170268643 WVBJCABTABXIAI-DEOSSOPVSA-N 433.548 5.557 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1c1ccc(F)cc1 170271079 SUZLJDQGIMXHNI-XMMPIXPASA-N 445.490 5.704 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1Cc1cccnc1 170274763 RELWHFJQKHQMKC-RUZDIDTESA-N 434.495 5.322 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc(C)o1 170298853 BRYZXDXDBZIPPG-HXUWFJFHSA-N 441.842 5.172 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(C)o1 170310756 WXWYHQZYWMCBNG-QFIPXVFZSA-N 437.536 5.415 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cccc(OCC)c2)cc1 170364778 QDLOBWMEDDSEFP-JOCHJYFZSA-N 449.528 5.328 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccccc1 170422482 UVBGURSEOUTRJP-HXUWFJFHSA-N 439.298 5.167 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(F)cc2F)cc1 170454577 ZHCRXPAQRWZBHC-QHCPKHFHSA-N 442.506 5.326 30 10 IKEE Cc1cc(C)c2oc(-c3ccc(C(=O)Nc4sc5c(c4C#N)CCC5)cc3)cc(=O)c2c1 170573817 WVXGHMAFZGFCPU-UHFFFAOYSA-N 440.524 5.751 30 10 IKEE CC(C)(C)C1=CC(=NN=C(c2ccccc2)c2ccccc2)[C@H]2CN=N[C@]2(C(C)(C)C)C1=O 254383162 AVACOHUQWPOENZ-DFHRPNOPSA-N 440.591 6.302 30 10 IKEE CCOc1ccc2c(c1)/C(=C1\SC(=Nc3ccccc3)N(c3ccccc3)C1=O)C(=O)N2 263629992 ALQBXPSBGNDKSG-SNWRPHOWSA-N 441.512 5.216 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)cc1Cl)NCC 406117983 BQGYQRBVYJUGNM-QZTJIDSGSA-N 445.829 5.483 30 10 IKEE CC(C)Oc1ccc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526489621 WXIVTHYZLNSELK-XMMPIXPASA-N 444.918 6.056 30 10 IKEE CCCOc1ccc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1OC 526517010 RECIBMNQKQUWQG-HSZRJFAPSA-N 446.528 5.474 30 10 IKEE Cc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 526523315 WNXNDCAFSRZUDK-QFIPXVFZSA-N 445.862 5.486 30 10 IKEE CCn1cc(/C=N\n2cnnc2SCc2ccc(Cl)cc2Cl)c2ccccc21 526822983 BLZMYVHPJFCXHL-VROXFSQNSA-N 430.364 5.734 30 10 IKEE C#CCCCCC[C@@H](NCCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 686708789 CWIFGJWJOSBDOQ-HXUWFJFHSA-N 437.422 6.421 30 10 IKEE N#Cc1cc(C(F)(F)F)ccc1Nc1nc(Br)c(Br)s1 686905521 GVIJTWUVDVYMLA-UHFFFAOYSA-N 427.043 5.302 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)c(F)c1F 689647069 MKCYCEHEUXANPT-CRAIPNDOSA-N 447.364 5.628 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@H](C#N)c1cc(F)ccc1Br 698956812 KQECXEZOGYKAAE-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE COC1(OC)CCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 704570522 BIDPOGSZEBBYEG-IBGZPJMESA-N 439.350 5.016 30 10 IKEE Brc1ccc(N=C2NC3(CCSCC3)CCS2)c(Br)c1 719677706 VPCYGDAMHRCDAU-UHFFFAOYSA-N 436.238 5.191 30 10 IKEE COc1cc(/C=C\C(=O)c2ccc(C(F)(F)F)nc2O)ccc1OCc1ccccc1 731565012 XSOBGILRYXFQMH-YFHOEESVSA-N 429.394 5.290 30 10 IKEE CCCCCCN(CCCCCC)CN1C(=O)C(=Nc2ccc(C)c(C)c2)c2ccccc21 1084034990 JMIZPQBXTCVNHB-UHFFFAOYSA-N 447.667 7.191 30 10 IKEE CC(C)c1ccc(/C=C\C=NNc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1 1084247173 BVDRVHBTQDZKFX-UMSXRFPESA-N 449.562 6.593 30 10 IKEE C#CCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)c(C)s1)[C@@H]1CCc2ccccc21 1307430694 JAPVOLWJEUMGBP-OAQYLSRUSA-N 435.980 5.333 30 10 IKEE O=C1/C(=C\C=C\c2ccccc2)S/C(=N/N=C/c2ccccc2O)N1Cc1ccco1 1615301681 WFGQLJVTJNJWQU-SBJRIHBGSA-N 429.501 5.048 30 10 IKEE Cc1ccccc1C[C@H]1SC(=Nc2ccc(C(=O)O)cc2)N(Cc2ccccc2)C1=O 1772728024 FRISNLNMXHFVFV-JOCHJYFZSA-N 430.529 5.068 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=Nc1ccncc1Cl 1772734645 QKBDMUXLUJLKHB-FZOVEGBXSA-N 440.868 5.137 30 10 IKEE O=C1/C(=C/c2cccc(Cl)c2)SC(=Nc2cccnc2Cl)N1c1ccccc1 1772734714 QQBIAGPMULMEQJ-LCQIMXFNSA-N 426.328 6.197 30 10 IKEE N#Cc1cccc(NC(=O)Oc2cccc3c(NC(=O)c4ccccc4F)cccc23)c1 1858767461 CCTZUBWQGMMZQH-UHFFFAOYSA-N 425.419 5.714 30 10 IKEE N#Cc1ccc(NC(=O)c2nn(-c3ccccc3)c(-c3cccc([N+](=O)[O-])c3)c2Cl)cc1 1859414916 QYIQZEJLTYJVMI-UHFFFAOYSA-N 443.850 5.225 30 10 IKEE N#Cc1cccc(C(=O)Nc2cc(C(=O)N(Cc3ccccc3)c3ccccc3)ccn2)c1 1860540990 DCPOHEKCXNGYSC-UHFFFAOYSA-N 432.483 5.053 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)c1ccc(OC)cc1OC 1861057428 KCRBNMUCCYQPQD-QFIPXVFZSA-N 434.621 5.249 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@@H]1c1ccc(O)cc1 1862389386 DZXSBZAVFGPEJQ-DEOSSOPVSA-N 435.564 5.893 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862395556 SGDNTCROOAYHFP-DEOSSOPVSA-N 430.548 5.889 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CCCCCC2)cc1 1862413314 ZWJHLWAUYPAFEZ-JOCHJYFZSA-N 425.475 5.574 30 10 IKEE O=C(C1=C(O)C(=O)N(C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccccc1)c1ccccc1Cl 1862429443 MYBDYIHEXVGAFK-VPUNUDNGSA-N 447.962 5.887 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)cc1 1862431762 OHALKFSIJKYRST-FQQGMQMYSA-N 437.967 6.059 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862445661 AWHRTANSWQMUGB-XMMPIXPASA-N 445.946 6.242 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cc(Cl)cc(Cl)c2)cc1 1862482245 LARPCFWUORHDAA-HXUWFJFHSA-N 442.298 5.673 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2cccc(F)c2)c1 1862489236 SQOJASNIDJEFEA-HOYKHHGWSA-N 429.491 5.782 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCCC2)cc1OC 1862494592 CLVALTIFCQRFQM-DEOSSOPVSA-N 449.547 5.232 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(F)cc1 1862501520 DVOALGIJARZBDR-NFBKMPQASA-N 441.518 6.210 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc3c(c2)CCCN3C)cc1 1862538790 QFARIZMJPYSZGC-RUZDIDTESA-N 444.575 5.152 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(F)cc1F 1862583690 ILSJEPPCMNCLOW-MGNBDDOMSA-N 440.273 5.648 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc2cc[nH]c2c1 1862584407 YBIHDZVBFDARBX-HXUWFJFHSA-N 443.330 5.709 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(Cl)cc2)cc1 1862661498 CDCIVTUWTJWLQL-QFIPXVFZSA-N 435.907 5.835 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1cccc(F)c1 1862703474 VHEIFJKCWCLBID-OFNKIYASSA-N 439.527 5.772 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2[C@@H](C)CC)c1 1862715307 ULMUIZGIMLAMTB-XDHUDOTRSA-N 429.516 5.615 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cc(Cl)cc(Cl)c1 1862721975 UOZFDYZLCXRUTF-OAQYLSRUSA-N 440.326 6.133 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1Cl 1862739389 XMQZOBYCBRAWEP-LJQANCHMSA-N 428.872 5.017 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3cccc4ccccc34)C2=O)c(C)c1 1862847385 MHSCFPCXISGHHW-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE CCCOc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N([C@H]3CCCC[C@H]3C)C2=O)cc1 1863344773 GPHZUIUWHAECCN-JPYJTQIMSA-N 443.547 5.118 30 10 IKEE CCCCCCCCCCNC1=C(c2cccc3ccccc23)C(=O)N(C[C@H](C)O)C1=O 1863581542 JOFZDLIZAZFUNW-FQEVSTJZSA-N 436.596 5.031 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1c(Cl)cccc1C(=O)O 1866029950 QNQMNUAQVFAGKJ-UHFFFAOYSA-N 438.052 8.238 30 10 IKEE N#Cc1ccccc1NC(=O)[C@H](NC(=O)CCCc1cccc(Cl)c1)c1ccccc1 1867125740 WWLYEDNOSHYYMX-XMMPIXPASA-N 431.923 5.031 30 10 IKEE N#Cc1nnn(-c2cccc(C(F)(F)F)c2)c1NC(=O)c1ccc(-c2ccccc2)cc1 1870137311 HSAIKFVIZXLVAV-UHFFFAOYSA-N 433.393 5.077 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2)c(CSc2ccc(C)cc2)cc1=O 1870251696 QQGAJDYBGIDJHI-UHFFFAOYSA-N 435.633 6.847 30 10 IKEE CCCCCCCOc1cn(Cc2ccncc2)c(CNc2cccc(N(C)C)c2)cc1=O 1870835757 HXLDLPKBMBBRRR-UHFFFAOYSA-N 448.611 5.319 30 10 IKEE C=CCn1cc(OCc2cccc(OC)c2)c(=O)cc1CNc1cc(Cl)cc(Cl)c1 1871055191 ZMDZGRWZJNGBBY-UHFFFAOYSA-N 445.346 5.541 30 10 IKEE Cc1ccc(Cl)cc1NCc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCC(C)C 1871252226 PROZJIZYULHKEG-UHFFFAOYSA-N 449.982 5.919 30 10 IKEE CCOc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCC(C)C)cc1 1871255304 URUGZLSRXBVECS-UHFFFAOYSA-N 445.563 5.356 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccccc1F)O3)CN(Cc1cccc(Cl)c1)CO2 1871348010 KSDFOXHILMQQSB-JJFYIABZSA-N 435.882 5.756 30 10 IKEE CCCCOCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(CC)cc1)C3=O 1871350780 UPWFFAVLGAUAGZ-JLPGSUDCSA-N 435.564 5.532 30 10 IKEE Cc1ccc(C)c(CN2COc3c(cc4c(c3C)O/C(=C\c3ccc(F)cc3)C4=O)C2)c1 1871356023 RBDBZHRFRDZJDQ-MYKKPKGFSA-N 429.491 5.719 30 10 IKEE Cc1cc(OC(=O)CCc2ccc(Cl)cc2)cc2c1C(=O)/C(=C/c1cccc(F)c1)O2 1871369061 XGWMJRRBJUKLGT-XKZIYDEJSA-N 436.866 5.942 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OC(=O)c4ccc(F)c(F)c4F)cc(C)c3C2=O)c1 1871370221 GPTSQNYBTYIBFM-GRSHGNNSSA-N 440.373 5.256 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4cccs4)ccc3C2=O)c(OC)c1 1871379605 GJHBHKCHYBUPMU-MPKDLLNHSA-N 434.469 5.000 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccccc2)C3=O)c(C)c1 1871413189 BNABSEWKWCJHJY-OQLNFPPLSA-N 427.500 5.634 30 10 IKEE Cc1c(OCc2cccc3ccccc23)ccc2c1O/C(=C\c1cccc(Cl)c1)C2=O 1871434618 RVUBLBCTVUEXLC-MYYYXRDXSA-N 426.899 6.997 30 10 IKEE COC(=O)c1ccc(/C=C2\Oc3c(ccc(OCCc4ccc(OC)cc4)c3C)C2=O)cc1 1871448732 XVLIPMPWHIIJSH-JLPGSUDCSA-N 444.483 5.028 30 10 IKEE CCOc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871452373 NHESRTSMUFKJCS-OYKKKHCWSA-N 429.472 5.027 30 10 IKEE C=CCN(CC=C)c1nc(Nc2ccc(OCCCC)cc2)nc(N(CC=C)CC=C)n1 1871733353 DENXDDKWVYQHJE-UHFFFAOYSA-N 434.588 5.151 30 10 IKEE C=CCN([C@H](CC(C)C)C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)S(=O)(=O)CCC 1872324807 OXIZVWKTSWRCRZ-HSZRJFAPSA-N 436.662 5.514 30 10 IKEE Cc1nc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc5c(c4)CCCC5)cs3)cc2nc1C 1872759845 AYWISFUWGONMSK-NRFANRHFSA-N 438.556 5.739 30 10 IKEE N#C[C@@H](C(=O)Cc1cc(Cl)ccc1Cl)c1nc(-c2cccc3ccccc23)cs1 1872775489 RNGOWJDITDSLCZ-IBGZPJMESA-N 437.351 6.689 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccc(C(C)C)cc3)n2)c1C 1872781280 RGGVGEAHLHJLOH-REWPJTCUSA-N 446.616 6.811 30 10 IKEE COc1c(Cl)cc(-c2csc([C@H](C#N)C(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1Cl 1872785924 WWWIVGYEUIZDRA-CYBMUJFWSA-N 448.287 5.524 30 10 IKEE C=CCN(CC=C)C(=O)c1cc2c(N(CCCC)CCCCCC)ncnc2n1CCC 1873547185 LFEJLPAFKBZMMW-UHFFFAOYSA-N 439.648 5.842 30 10 IKEE CCCCCCCCCCNC(=O)c1cc2c(N(CC)CC)ncnc2n1CC(C)C 1873579187 WASVQJDEPGEBPZ-UHFFFAOYSA-N 429.653 5.804 30 10 IKEE C=CCn1c(C(=O)NCc2ccco2)cc2c(N(CCCC)CCCCCC)ncnc21 1873593992 ZSIJTYPBLVUMEZ-UHFFFAOYSA-N 437.588 5.327 30 10 IKEE Cc1ccc(OCCCc2nnc(SCc3ccccc3)n2/N=C/c2cccs2)cc1 1874252337 MQPZNCLSVULHPM-KOEQRZSOSA-N 448.617 5.834 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(OC)cc2)n1/N=C/c1ccccc1Cl 1874305794 OYPUWXPJVLNXDU-ZVHZXABRSA-N 426.973 5.276 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)cc3)n2/N=C/c2ccccc2Cl)cc1 1874386323 JOMPYRHUSDKSRC-JVWAILMASA-N 447.007 6.314 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2ccc(C)cc2)nnc1[C@@H](C)c1ccccc1 1874392673 RJQIQPGCCRKYOL-KKMLCIJBSA-N 442.588 5.921 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc(F)c2)n1/N=C/c1c(F)cccc1Cl 1874439092 JBGRRCPJIHVXQD-BRJLIKDPSA-N 434.943 5.973 30 10 IKEE Oc1ccccc1/C=N/n1c(SCc2ccc(Cl)c(Cl)c2)nnc1[C@@H]1CCCO1 1874451347 XGIHYSLKXZJYCF-RIDKEVFESA-N 449.363 5.317 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2ccc(F)cc2)nnc1-c1ccco1 1874464591 RMBFIGAPVJBXOO-MFKUBSTISA-N 436.512 5.641 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874479036 FMJYYWINQLBHOL-PCLIKHOPSA-N 445.548 5.857 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CCC2)c(OC)c1 1874497549 OVQGHPGMJBGXLV-ZMOGYAJESA-N 442.972 5.391 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C(C)C)c1 1874515275 VXUQYHSZNWBULQ-WGOQTCKBSA-N 430.577 6.128 30 10 IKEE COc1cc(/C=N/n2c(S)nnc2C2CCCC2)ccc1OCc1ccc(Cl)cc1 1874559598 AVYUIGPVLLISIP-ZMOGYAJESA-N 442.972 5.348 30 10 IKEE Sc1nnc([C@H]2CCCO2)n1/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 1874560382 VADAALRDBZCXNX-TYLRVVQJSA-N 449.363 5.186 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1 1874576033 UDSUNHYLGWRWSK-BJMVGYQFSA-N 447.745 7.131 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1 1874577839 IHMCZORETLUOEP-GXDHUFHOSA-N 427.327 6.867 30 10 IKEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(Cl)cc1)NC1CCCCC1 1874578406 MKVUMVPVXDIGFS-XYOKQWHBSA-N 432.347 5.717 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OCc1c(Cl)cccc1Cl 1874597758 CUCKINLTWGZXRO-WEVVVXLNSA-N 449.280 6.755 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1cccc(OCc2cccc(C)c2)c1 1874599383 KGTSWTKOCWUVBZ-MDZDMXLPSA-N 427.327 6.786 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc1OCc1ccccc1C 1874600772 CFQOQXFFSAFHCT-NTCAYCPXSA-N 438.523 6.641 30 10 IKEE O=C(/C=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)c1ccc2c(c1)CCCC2 1874603999 PPAWPFGHEDHKNM-XNTDXEJSSA-N 437.366 7.347 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)c(OC)c2)cc1 1874605436 ZKIISEQZUXEUCX-XYOKQWHBSA-N 443.543 5.788 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1C 1874631812 VOLICAXXKOMLHQ-WEVVVXLNSA-N 445.773 7.739 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)cc1C 1874636513 DUEZWVYHKYIYIB-UKTHLTGXSA-N 443.543 5.842 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(C)c1 1874669211 ZBZCILWSGDNQLX-RUZDIDTESA-N 433.596 5.294 30 10 IKEE COc1ccc(CC(=O)Oc2cc(/C=C/C(=O)c3ccc(C)cc3)ccc2OC)cc1OC 1874703065 XLQBRDHABSFSMW-KPKJPENVSA-N 446.499 5.065 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCc3ccccc3C)c2)cc1Cl 1874716975 SDGPYQSAOPLJNP-JLHYYAGUSA-N 434.919 6.091 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1Br)c1ccncc1 1875113472 JFEFYIAWIHIURW-FNORWQNLSA-N 442.696 5.613 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)Cc1ccc(F)c(C)c1 1875136703 HUCOHAVTQINVEJ-MDWZMJQESA-N 432.491 5.885 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cncc(C)c3)c([N+](=O)[O-])c2)cc1 1875138927 ZVGGAERBOZYQSH-ONNFQVAWSA-N 446.459 5.202 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)cc3)c(Cl)c2)ccc1F 1875141522 ILLNEKABYPCNNH-ONNFQVAWSA-N 426.846 5.971 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(Cl)c(OC(=O)C(F)(F)F)c(OC)c1 1875143617 IZEQTLAPGQZELB-AATRIKPKSA-N 428.790 5.029 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(OC)c(OC(=O)CC(C)(C)C)c(OC)c1 1875143694 MIXPEBXWSYUZGS-MDZDMXLPSA-N 426.509 5.259 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)cc([N+](=O)[O-])c1OC(=O)C(C)(C)C 1875145026 BNCVBOYOSBRWBU-MDZDMXLPSA-N 441.480 5.158 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(OC)c1OC(=O)C(C)(C)C 1875154462 GLKXXXKHZUZHOE-FOCLMDBBSA-N 428.528 6.425 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)c1ccccc1C 1875160308 JNWPKBXLRXBQEY-JXMROGBWSA-N 442.845 6.051 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1 1875167733 LYQMYMPUHVMKEO-LFIBNONCSA-N 444.527 5.755 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3)cc2)c1 1875171583 DFIBQYBOOXXOSI-VIZOYTHASA-N 434.463 5.738 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)ccc1OC(=O)Cc1cccs1 1875193796 AFOQDPGJBWMVQN-VMPITWQZSA-N 442.920 5.463 30 10 IKEE COc1ccc(NS(=O)(=O)c2cccc(-c3ccc(C(F)(F)F)cc3)c2)cc1C#N 1891688708 DYWHWCMNDBWZJV-UHFFFAOYSA-N 432.423 5.053 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2 1922087276 XMUBAVFBFVLICN-JCYRPKCISA-N 428.617 5.307 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C 1922121591 YPTFHQASQLBANC-LPHRJVMESA-N 430.633 5.409 30 10 IKEE CC1(NC(=O)OC(C)(C)C)CCC(C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)CC1 1940837029 QBEZNHLLJRMLSY-UHFFFAOYSA-N 435.609 5.676 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCC[C@H]2NC(=O)OC(C)(C)C)cc1 1943909022 BIJPLHZGBMLYSY-NTKDMRAZSA-N 429.561 5.466 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 1944587282 BSIAJPROYOTIJF-HJPURHCSSA-N 433.524 5.154 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@]1(C)CCCN1C(=O)OC(C)(C)C 2020802426 MEDWOZRJMALTLH-CYFREDJKSA-N 429.561 5.418 30 10 IKEE CC[C@@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)CN1C(=O)OC(C)(C)C 2040671312 OYAJLXGKXGMIFV-KBMIEXCESA-N 449.636 6.018 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)C1CCCCCC1)C2 2041702380 OWWDBVREEFQMRO-FZWXVRBQSA-N 447.620 5.771 30 10 IKEE CC[C@H](C)N(Cc1ccccc1)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(F)(F)F 2052614539 PQGMOXWTHIGPGZ-KRWDZBQOSA-N 433.323 5.810 30 10 IKEE N[C@@H](CC#CC1CC1)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071343675 FYILVRCTCATNFU-LSYYVWMOSA-N 427.544 5.009 30 10 IKEE Cc1cc(C)c([C@H](n2nc(C)c(/C=N/O)c2I)C(C)(C)C)cc1C 2079112781 ZVFAQOGQSLICFF-GVLJNOETSA-N 439.341 5.165 30 10 IKEE CC(C)(C)[C@@H](c1ccc(C2CCC2)cc1)n1nc(C2CCC2)c(C#N)c1Br 2079953084 RPUFCGYSCLKAHU-OAQYLSRUSA-N 426.402 6.688 30 10 IKEE CC(C)c1ccc([C@H](C2CCC2)n2nc(C(C)(C)C)c(C=NO)c2Br)cc1 2079983207 YXAMAXWRGMINDH-IBGZPJMESA-N 432.406 6.264 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)C(C)(C)C1CCCCC1 2151426312 LXRUVPMGIYSITA-IBGZPJMESA-N 435.406 6.689 30 10 IKEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNc2cccc(Br)c2C#N)cc1 2162318257 LQQYWDKHHJDHHK-CQSZACIVSA-N 430.346 5.519 30 10 IKEE C[C@H](Nc1ccc(C#N)c(Br)c1F)c1ccc(NC(=O)OC(C)(C)C)cc1 2162350115 HXXHCRTYYSLTLY-LBPRGKRZSA-N 434.309 5.980 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H](Nc2cc(Br)cc(C#N)c2)Cc2ccccc21 2162386555 DCBGNFHITGHUQI-SFHVURJKSA-N 428.330 5.099 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@H](Nc3ccc(C#N)cc3Br)C[C@H]21 2166974555 DZYSJWNDRFFPOK-JTDSTZFVSA-N 434.378 5.301 30 10 IKEE C[C@@H]1CCCN(c2ccc(C#N)c(Br)c2)[C@H]1CCCNC(=O)OC(C)(C)C 2174808200 LJOWPNNFOPQEQL-BEFAXECRSA-N 436.394 5.231 30 10 IKEE CN(Cc1cccc(NC(=O)OC(C)(C)C)c1)c1ccc(C#N)c(Br)c1F 2174812166 HTIUDVUYLYTKNT-UHFFFAOYSA-N 434.309 5.443 30 10 IKEE CCCCC#CC[C@@H](NCCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2203820543 WTMZSPCBFUDUEE-HXUWFJFHSA-N 437.422 6.421 30 10 IKEE C=CCCCCCC[C@H](O)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2206895769 XIRXCGVMIJRBRT-UXHICEINSA-N 440.422 5.772 30 10 IKEE C[C@@H](c1cccs1)N(Cc1ccccc1)Cc1nscc1B1OC(C)(C)C(C)(C)O1 2214603648 SZUGGKBTJQNLQA-KRWDZBQOSA-N 440.443 5.267 30 10 IKEE CCCCCCCCCOc1ncc(I)cc1Br 2223240043 IFSHEUZGPHSULP-UHFFFAOYSA-N 426.136 5.578 30 10 IKEE C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)[C@H]1C[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2247817400 UBQKXUITERWHFE-RLLQIKCJSA-N 425.403 5.710 30 10 IKEE C=CCC[C@H](C)[C@@H](NCC)[C@](C)(O)c1cc(Br)c(Br)s1 2281280721 AYDGJDYKJCYYTP-PSOPSSQASA-N 425.230 5.061 30 10 IKEE Cc1ccc(SC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1 2293092012 IAUZUAMSUXQGME-UHFFFAOYSA-N 425.556 5.107 30 10 IKEE C=CCCCCC[C@@H](OCCCN)c1cc(Br)c(Br)s1 2294036742 UIQIIILFLYCDIL-CYBMUJFWSA-N 425.230 5.816 30 10 IKEE N[C@H](C#Cc1ccc(Br)cc1)c1c(Cl)cc(Br)cc1Cl 2296220093 VADAXMDBPWIJQL-CQSZACIVSA-N 433.958 5.570 30 10 IKEE CCc1ccc(NC(=O)OC(C)(C)C)c([C@H](O)C#Cc2ccc(Br)cc2)c1 2296284796 UVKFLJZCRKTACV-HXUWFJFHSA-N 430.342 5.444 30 10 IKEE CCN1C(=O)C(=C2Sc3ccccc3N2C)SC1=Nc1ccc(-c2ccccc2)cc1 2297550028 CVPFOUAZYJXPCJ-UHFFFAOYSA-N 443.597 6.348 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CCC[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C 2312592032 XUTLEOYXOOHZJV-JBXUNAHCSA-N 442.644 5.553 30 10 IKEE Cc1ccc(Cn2cc(C=C3SC(=Nc4ccc(F)cc4)NC3=O)c3ccccc32)cc1 2313557452 DAPSSRKXLQFYLG-UHFFFAOYSA-N 441.531 6.029 30 10 IKEE C=CCC1([C@@H](NCC)c2cccc(OCc3ccccc3)c2)CN(C(=O)OC(C)(C)C)C1 2314448062 DQNJEGRECRVWAG-DEOSSOPVSA-N 436.596 5.729 30 10 IKEE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCC)c2)SC1=S 2314475834 DCIIQGUSMIKEJP-UHFFFAOYSA-N 447.585 5.325 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@H](C#N)C12CC(CCN1C(=O)OC(C)(C)C)C2 2318782143 MEEOTFLTSSWXJP-GTUCJRJXSA-N 447.620 5.628 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OCc4ccc(Cl)c(Cl)c4)c3C)C2=O)c1 2321790265 LAPMLOOOTJVBTB-UHFFFAOYSA-N 425.311 6.805 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Br)ccc2OCc2cccc(C)c2)c1 2322371515 JJMZFVOISDQKGM-UHFFFAOYSA-N 437.333 6.241 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(C(C)C)cc1)C3=O)CN([C@H]1CCCC[C@@H]1C)CO2 2322391792 LCRIFPUGZIUUFC-UUOWRZLLSA-N 431.576 6.465 30 10 IKEE CCCOC(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccc(OCCC)cc1 2322607332 YFNJAJVKIQKUTQ-UHFFFAOYSA-N 432.516 5.857 30 10 IKEE CCCOC(=O)COc1ccc(Br)cc1C=CC(=O)c1cc(C)ccc1C 2322614588 AZEOGIJZMBIZMX-UHFFFAOYSA-N 431.326 5.294 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(OC)c3ccccc23)c1OCc1ccccc1F 2323019991 AYLPODNGHFRKPP-UHFFFAOYSA-N 442.486 6.471 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1Cl)NC1CCCCC1 2323766477 DWBZGJUXXBDHJE-UHFFFAOYSA-N 432.347 5.717 30 10 IKEE CCOc1c(Br)cc(C=CC(=O)c2ccc(Cl)cc2)cc1Br 2323789876 CZCIVXLIJUKQNI-UHFFFAOYSA-N 444.550 6.160 30 10 IKEE CCCCCCOc1ccc(C=NNc2nc(-c3ccccc3OC)cs2)cc1OC 2323854515 MIFUCUITWJJGOZ-UHFFFAOYSA-N 439.581 6.232 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2cccc3ccccc23)cc1)Nc1ccccc1F 2324128052 BKTOGHJANGPAEV-UHFFFAOYSA-N 425.459 5.893 30 10 IKEE CCN(CC)C(=O)COc1ccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1 2324281238 HEACXDNWRRMEFI-UHFFFAOYSA-N 429.516 5.622 30 10 IKEE Cc1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2F)C3=O)c1C 2324498640 VTGHNNSHARYNRL-QGZVFWFLSA-N 431.463 5.465 30 10 IKEE Cc1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)c1C 2324499220 RBXHMUKTYIPFID-GOSISDBHSA-N 445.490 5.773 30 10 IKEE Cc1ccc(OCCOc2cc(C)c3c(c2)OC(=Cc2cn(C)c4ccccc24)C3=O)cc1 2324538541 HEHNVEQEOODMGR-UHFFFAOYSA-N 439.511 5.869 30 10 IKEE C=CCOc1c(Br)cc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OCC 2324563973 ZUDHUIVHLSXGQI-UHFFFAOYSA-N 429.354 6.234 30 10 IKEE COc1ccc(OCCCOc2cc(C)c3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1 2324706324 PQAQRDXCQNZTGK-UHFFFAOYSA-N 442.511 6.024 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@@H](C#N)C(=O)C=Cc2ccc(C(C)C)cc2)n1 2324725741 LZOIWNNDASVHHL-QFIPXVFZSA-N 430.573 6.449 30 10 IKEE CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2cccs2)C3=O)cc1 2325427769 REJWCTBBMXSDBG-MRXNPFEDSA-N 447.512 5.281 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1N=Cc1c(OC)ccc2ccccc12 2325513377 XIAALVCUXULZBQ-UHFFFAOYSA-N 448.567 6.096 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)CCCOc3ccccc3)c2)cc1 2325718250 JQRPPEHTWJGHKY-UHFFFAOYSA-N 446.499 5.365 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCC(=O)Nc3cc(C)ccc3C)ccc2C1=O 2325740356 MEBYNVRDVYPHSV-UHFFFAOYSA-N 443.499 5.336 30 10 IKEE Cc1ccc2oc(=O)cc(COc3ccc4c(c3)OC(=Cc3ccccc3F)C4=O)c2c1 2325741404 PQNNQGPKDAUCEY-UHFFFAOYSA-N 428.415 5.436 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2cccc(Br)c2)c1)c1ccc(F)cc1 2325751299 USWOEDYJRUSNMS-UHFFFAOYSA-N 425.253 5.704 30 10 IKEE CCCCC1CCC(C(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c(C)c3C)c2)CC1 2325755624 NRXSQYCAEXWIFE-UHFFFAOYSA-N 448.603 7.110 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)c2)cc1C 2325760634 LGKZHNGAYZWZNV-RPWUZVMVSA-N 430.931 6.562 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)c2cc(C)cc(C)c2)c1 2325764059 SQOWAIGQEXANFO-UHFFFAOYSA-N 434.919 6.389 30 10 IKEE CCCSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1cc(C)ccc1O 2326341773 GGBQMAPUVNZSOQ-UHFFFAOYSA-N 438.597 5.250 30 10 IKEE CCSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1c[nH]c2ccccc12 2326380134 RXRQQKJOAFQOPY-UHFFFAOYSA-N 433.581 5.382 30 10 IKEE C=C(C)CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1cccc(Cl)c1 2326912125 XFOPPSTXJVANRM-UHFFFAOYSA-N 441.044 6.241 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)cc2C)n1N=Cc1ccc(F)cc1F 2328895878 MTDNJKYZXXFKEL-UHFFFAOYSA-N 428.508 5.303 30 10 IKEE Cc1ccc(C=Nn2c(CCc3ccccc3C)nnc2SCc2ccc(C)cc2)cc1 2329465744 PZATZYNMLQBGAJ-UHFFFAOYSA-N 440.616 6.163 30 10 IKEE CCCSc1nnc(CC2CCCCC2)n1N=Cc1cccc(OCc2ccccc2)c1 2330277683 ZKLZTTIGRUPYLC-UHFFFAOYSA-N 448.636 6.364 30 10 IKEE Cc1ccsc1C(=O)Oc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl 2331025616 WWVDYASHALBOAV-UHFFFAOYSA-N 427.865 5.733 30 10 IKEE CCOc1c(C=Nn2c(SCc3ccccc3)nnc2C2CCCC2)cccc1OC 2331070865 VOFALHBFAKYILY-UHFFFAOYSA-N 436.581 5.518 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)c1ccccc1C 2331086610 XWRLDSVMMNNVJX-UHFFFAOYSA-N 438.426 5.406 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)c1cccc(C)c1 2331156120 QVHDFHSHKRKQFT-UHFFFAOYSA-N 446.930 6.501 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 2331293458 NYCHGUNPRMZQJB-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)Cc1ccccc1F 2331326139 GDZDWZRQFPYNQA-UHFFFAOYSA-N 432.491 5.885 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1N=Cc1ccc(Cl)cc1 2331327689 IMCDXLLTFPUPSQ-UHFFFAOYSA-N 441.988 5.196 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)CCc1ccccc1 2331509828 HULQUTIMHFIGLR-UHFFFAOYSA-N 428.528 6.253 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)[C@@H](C)c1ccccc1 2331521226 LQWOIEKCMGVFSU-KRWDZBQOSA-N 434.463 5.448 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)COC)c(Cl)c2)cc1 2331543445 VIYWPDIOJWAYJW-UHFFFAOYSA-N 444.955 6.137 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1Cl 2331558566 IFWPCXVLSQJGLK-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE CCCOc1ccccc1C=Nn1c(COC)nnc1SCc1ccc(Cl)cc1 2331595412 IRUABYIEHDIZGQ-UHFFFAOYSA-N 430.961 5.041 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)c1ccc(C)cc1 2331703526 RFBHLDOQYHQXKR-UHFFFAOYSA-N 434.919 6.389 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)CSc2ccccc2)cc1 2331786941 GQEGOZHSGSHAAE-UHFFFAOYSA-N 444.596 6.886 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cc(OC)c(OC(=O)CC(C)C)c(OC)c1 2331876430 YHLOCADXAAAIDX-UHFFFAOYSA-N 432.900 5.213 30 10 IKEE CCCCCCCCc1ccc(-c2ccc(C3=N/C(=C/c4ccc(C)o4)C(=O)O3)cc2)cc1 3053025 WVIVSZMKIGRAQS-NHFJDJAPSA-N 441.571 7.503 30 10 IKEE O=C1C(c2ccccc2)=C(c2ccccc2)[C@]2(c3ccccc3)CN=N[C@]12c1ccccc1 5051995 VOLBMCYGGKVCFS-LOYHVIPDSA-N 426.519 6.479 30 10 IKEE Cc1ccc(S(=O)(=O)/N=C(\Nc2cccc(C(F)(F)F)c2)c2ccc(F)cc2)cc1 6235128 IBYCJSJPFRQFIP-UHFFFAOYSA-N 436.430 5.401 30 10 IKEE CCN(C(=O)c1ccc(NC=C2C(=O)CC(C)(C)CC2=O)cc1)c1cccc2ccccc12 14568589 MYHZUZYXZMIGGT-UHFFFAOYSA-N 440.543 5.761 30 10 IKEE CCCCOc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(C(C)(C)C)cc1)C2 21254798 NENWTTQSCSQNIX-OFNKIYASSA-N 445.603 6.167 30 10 IKEE COc1ccc(-c2csc(NC(=O)[C@H](C)n3c(=O)cc(C)c4ccccc43)c2C#N)cc1 32526566 XSWKOAPEMDEEDY-INIZCTEOSA-N 443.528 5.118 30 10 IKEE O=[N+]([O-])c1ccc(N/N=C(\c2ccccc2)c2ccc(Br)cc2)c([N+](=O)[O-])c1 33387298 JAGVPBGFOWXWKA-ZBJSNUHESA-N 441.241 5.130 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)Cc3ccc(-c4ccccc4)cc3)ccc21 38707304 SWEQDBUWMHATLA-UHFFFAOYSA-N 440.543 5.472 30 10 IKEE CCCCOc1ccc([C@H]2C(C(C)=O)=C(C)Nc3nc(SCc4ccccc4)nn32)cc1 54642195 TZXDFYYBJQYWRX-QHCPKHFHSA-N 448.592 5.627 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(O)ccc3ccccc13)N2 100372803 HTSIDBQSLJNPIE-UAABGXCFSA-N 427.588 7.721 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccc(OC)cc2)cc1 169922532 AXQGAAYZTSJBDI-XMMPIXPASA-N 443.499 5.104 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2cc(C)ccc2C)c1 169933238 SSEKULGPCRDPQT-XMMPIXPASA-N 427.500 5.403 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(O)cc2)c1 169958960 DQFMIUDSEATBQP-JOCHJYFZSA-N 433.891 5.445 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccccn1 169992067 PYSAVYZJGPJHQB-HSZRJFAPSA-N 442.515 5.171 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 170059768 NXEDZHQXEHKMLG-HXUWFJFHSA-N 440.883 5.159 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccc(F)cc2)cc1C 170062426 QCAMYDRDOLSBBO-QFIPXVFZSA-N 435.882 5.879 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2ccc(F)cc2)c1 170064283 FNHZAPPESYHYJE-JOCHJYFZSA-N 437.417 5.504 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(C)o2)cc1 170101530 CPTQIDVXSCHAPK-HSZRJFAPSA-N 447.487 5.087 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@H]1c1ccc(OC)cc1 170116694 VLJGVKOWYSLCNH-HSZRJFAPSA-N 437.536 5.253 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1c1ccccc1 170122361 QMZNGPUZVPMBRP-DEOSSOPVSA-N 443.499 5.265 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1cccc(C)c1 170142137 ASFLARGRYWKOCE-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1OC(C)C 170150895 MILYGHXNEFQRPB-NRFANRHFSA-N 427.928 5.506 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(OC)c3)[C@@H]2c2ccccc2)c1 170221287 SMASZEOVAVQLOE-QFIPXVFZSA-N 449.890 5.140 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccccc2)c1 170226767 YQEFQNRDJDCLRL-QFIPXVFZSA-N 449.890 5.140 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2)cc1C(C)C 170230423 ZTBZIGGIROWHIZ-HSZRJFAPSA-N 431.488 5.190 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@H]1c1ccc(Cl)cc1 170236339 CLPWAXJDFQCECY-JOCHJYFZSA-N 441.955 5.769 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(C(C)C)cc2)c1 170246120 FUIOUWPDPDJUBY-DEOSSOPVSA-N 449.547 5.348 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccccc1F 170250608 GRNUGNFQPUYKOU-QHCPKHFHSA-N 447.506 5.803 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccco2)cc1C(C)C 170281588 GCYRZUKXIOKDFT-QHCPKHFHSA-N 449.478 5.642 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccco2)cc1C 170285104 JXGXJHWEPLVDJN-MWTRTKDXSA-N 429.472 5.003 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)c(OC)cc3C)[C@H]2c2ccc(C)o2)c1 170297891 BDLPFZNZEBGBLS-HSZRJFAPSA-N 447.487 5.005 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1c(C)[nH]c2ccccc12 170312291 OPXGBBCZVUDNFS-QHCPKHFHSA-N 432.520 5.252 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OCC)c(C)c3)=C(O)C(=O)N2CCC)c1 170323687 JJZKOILNYLCQOC-HSZRJFAPSA-N 437.536 5.171 30 10 IKEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)CC(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 170470709 JKNRXCAIUXCAGJ-RUZDIDTESA-N 449.591 5.546 30 10 IKEE CCCCCC(=O)/C=C/[C@H]1[C@@H]2CC(=O)O[C@H]2C[C@H]1OC(=O)c1ccc(-c2ccccc2)cc1 230124933 KVAPQSSLLZXBHI-SEDPEYLVSA-N 446.543 5.536 30 10 IKEE COc1cc(Cl)c(C)cc1Nc1nc(SC)nc(-c2cccc(Cl)c2)c1C#N 243229413 KMALDLUCCCJHHJ-UHFFFAOYSA-N 431.348 6.105 30 10 IKEE C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1cccc2ccccc12 252632017 VOFBKTRGDNDUCS-QFIPXVFZSA-N 429.545 5.295 30 10 IKEE CCC(C)(C)[C@H]1CCc2sc3ncnc(NN=C/C=C\c4ccccc4OC)c3c2C1 254398968 OQMKVRXONMWMOV-XRQYSTDXSA-N 434.609 6.352 30 10 IKEE Cc1c(C=Nc2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c2ccccc2n1C 254447814 IDOLUSWFEQDZEN-UHFFFAOYSA-N 433.621 6.240 30 10 IKEE CCCCCCCc1nc(C#N)c(NN=Cc2ccc(OCc3ccccc3)c(OC)c2)o1 254521255 GZMCJAKJSKURQJ-UHFFFAOYSA-N 446.551 6.093 30 10 IKEE COC(=O)[C@]12CCC(C)(C)C[C@@H]1C1=CC[C@@H]3[C@]4(C)CC/C(=N\O)[C@@H]4CC[C@@]3(C)[C@@]1(C)CC2 504596339 UKXCLLYLCRBBDH-OVJSPBDOSA-N 441.656 6.765 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1ccc(OC)c(O)c1Cl 526805375 LFPXMNQEBNKLHC-CFRMEGHHSA-N 444.988 5.471 30 10 IKEE C=CCN(CCCOc1ccc(OC)cc1)S(=O)(=O)c1ccc(CCCCCC)cc1 586180880 WZBQPTBFOWXCQQ-UHFFFAOYSA-N 445.625 5.464 30 10 IKEE Cc1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(Br)cc2)cc1 586206756 ZEMKJMZZLFKALB-UHFFFAOYSA-N 441.350 5.025 30 10 IKEE C=CCCCCC[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NC 686823444 AHKYBMFZWRDSLB-XMMPIXPASA-N 443.676 5.661 30 10 IKEE CCCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@@H]1[C@@H]1CCCCN1C(=O)OC(C)(C)C 698971033 XSJSQGKKRSINKD-IMWIBFENSA-N 435.609 5.486 30 10 IKEE COc1ccc(NN=C(Sc2ncc(-c3ccccc3)n2-c2ccccc2)C(C)=O)cc1 1084006296 FPVRAPQWPNWPJN-UHFFFAOYSA-N 442.544 5.655 30 10 IKEE C=CCN(CCc1ccccc1)C(=O)CNc1nc(C)nc2sc(-c3ccccc3)cc12 1542629175 HTMGTWHRLKKCAW-UHFFFAOYSA-N 442.588 5.336 30 10 IKEE CCc1ccc(C(=O)N2c3ccc(F)cc3[C@](C#N)(Nc3ccc(F)cc3)C[C@H]2C)cc1 1615950568 SDZZHJVCVGORLR-QUGAMOGWSA-N 431.486 5.797 30 10 IKEE Cc1c(C(=O)N2CCc3ccccc3C2)oc2c1C(=NNc1ccccc1)CC(C)(C)C2 1772729488 QGKYXIQXEZNEDI-UHFFFAOYSA-N 427.548 5.575 30 10 IKEE N#Cc1c(NC(=O)c2c3c(nc4ccc(Br)cc24)CCC3)oc2c1CCCC2 1859662558 OLUWRQQDOQBTQB-UHFFFAOYSA-N 436.309 5.082 30 10 IKEE CCCCCCCCNc1cc(N2CCN(CC)CC2)nc(-c2ccc(OC)cc2)n1 1859788389 IAHNQEIDMKIOBO-UHFFFAOYSA-N 425.621 5.067 30 10 IKEE CC(C)(C)c1csc(NC(=O)C2CCN(C(=O)CCC3CCCCC3)CC2)c1C#N 1860629791 GTANJSMIPOYGFD-UHFFFAOYSA-N 429.630 5.455 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccccc2C)cc1C 1862401061 SNTMTAQXMIDLLO-XMMPIXPASA-N 445.490 5.230 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2ccccc2F)cc1C 1862401523 CTPHUNPJMGXIGD-XMMPIXPASA-N 445.490 5.230 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CC2)cc1 1862423270 YGWWNXCTQOVLSF-JOCHJYFZSA-N 441.474 5.275 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1c(F)cccc1Cl)c1ccccc1Cl 1862435319 SQQXVGURJYTDGD-LJQANCHMSA-N 446.261 5.504 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc2ccccc12 1862435339 UESTVIMZHAFHAU-QHCPKHFHSA-N 449.934 5.498 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc2cc[nH]c2c1 1862445877 GLFXOLWDGIGBLR-QFIPXVFZSA-N 436.939 5.980 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCCCCC2)c1 1862476825 PCSYJDXAMRFKHN-DEOSSOPVSA-N 433.548 5.695 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccccc2F)c1 1862478702 OOZWICVFGHXOTK-DEOSSOPVSA-N 445.490 5.311 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(OC)cc1 1862489669 XXICZIRBUWEIEQ-SQJMNOBHSA-N 449.591 6.249 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(C(C)(C)C)cc2)ccc1F 1862505060 JJUSAKXSFIPNAJ-DEOSSOPVSA-N 449.566 6.343 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(Cl)cc1 1862527120 PGWMGZBQLYCZIS-KPZWWZAWSA-N 448.744 5.479 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2Cc2ccncc2)cc1 1862543532 JKTVVKAZJPADGD-RUZDIDTESA-N 438.527 5.047 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)c1 1862564293 WRENGSZZPWZVRW-VXWZWFMZSA-N 448.563 5.215 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCc2cccs2)cc1 1862594365 CVQRDEFOYGJNOV-QHCPKHFHSA-N 447.556 5.398 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862596706 HIXXZUZTWCSJAV-FQEVSTJZSA-N 448.346 5.858 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCCCCO)cc1 1862614384 AGUGCTOWYBECDW-DEOSSOPVSA-N 449.591 5.287 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1cccc2ccccc12 1862644089 CCNRXRCNKBMAMM-IQMFZBJNSA-N 433.479 5.364 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CC)cc1 1862658628 SYLYZHXIVUVDOU-DEOSSOPVSA-N 428.532 5.284 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(C(C)C)cc1 1862664022 DPSHVWGEXDVAJO-RUZDIDTESA-N 433.592 6.558 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862670482 VFIWXTYSCSSVCL-FQEVSTJZSA-N 440.883 5.136 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1cccc2ccccc12)c1ccc(F)cc1 1862677289 CGFHKKHAKARLDF-XMMPIXPASA-N 438.458 5.152 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccccc2C)cc1 1862687944 RYIGKBAXMNFKKN-MHECFPHRSA-N 427.500 5.343 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862717351 BCMXTQKAJRWBOF-QHCPKHFHSA-N 444.487 5.372 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(CC)cc1 1862724633 QMDMXZWJUJJBTP-SANMLTNESA-N 439.555 6.294 30 10 IKEE CCCCOc1ccccc1NC1=C(c2cccs2)C(=O)N(c2cccc(C#N)c2)C1=O 1863112493 FLHJXBGJULYWBT-UHFFFAOYSA-N 443.528 5.195 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC(C)C)c1ccc(OC)c(Br)c1 1868196440 IROYXLFFWQMIJP-HXUWFJFHSA-N 440.466 6.844 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](CCCC)NC(=O)[C@H](c1ccc(Br)cc1)C(C)C 1868855241 RIMCKBVLXAXVHO-RTWAWAEBSA-N 449.433 5.064 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCCC)c(=O)cc1CSc1ccccc1 1870227514 LILVFUSBZJADAO-UHFFFAOYSA-N 445.625 5.833 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccccc2C)cn1Cc1ccccc1F 1870630993 QQSZWFDRZRFLPH-UHFFFAOYSA-N 432.539 5.097 30 10 IKEE C=CCn1cc(OCc2c(F)cccc2Cl)c(=O)cc1CNc1cccc(C)c1C 1871089485 NQKFGEPMOXCGCQ-UHFFFAOYSA-N 426.919 5.635 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCCC)c(=O)cc1CNc1cccc(C)c1 1871234986 QSSSVAVKPFEPPX-UHFFFAOYSA-N 442.600 5.461 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1c(Cl)cccc1Cl)C3=O)CN(CCC(C)C)CO2 1871359030 FTOBZSKEAMECDH-JMIUGGIZSA-N 432.347 6.116 30 10 IKEE Cc1c(OC(=O)C(Cl)(Cl)Cl)ccc2c1O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871365687 DPEUOBYHNZOPEV-YVLHZVERSA-N 439.722 6.010 30 10 IKEE Cc1cc(OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc2c1C(=O)/C(=C/c1ccc(F)cc1)O2 1871377446 LTZLITMQULNMQW-JEUHMODBSA-N 445.402 5.277 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871381703 CVLLTNKXOHYFIE-QRVIBDJDSA-N 428.440 5.064 30 10 IKEE Cc1cc(OC(=O)c2ccc(/C=C/C(=O)O)cc2)cc2c1C(=O)/C(=C/c1ccccc1F)O2 1871382082 MFZROAZZNUKAPO-YAWPGIFISA-N 444.414 5.067 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)OC(C)C)cc2c1C(=O)/C(=C/c1ccccc1Br)O2 1871400567 FISSKOFZZQYWOH-VAODSVERSA-N 445.309 5.093 30 10 IKEE CCOc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(C)o1)C2=O 1871402876 OLOZJJGNXGDTOZ-SUVVMJBMSA-N 447.487 5.317 30 10 IKEE COc1ccc(OCCCOc2ccc3c(c2C)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871415806 UCMDKFUCCIKEGA-JLPGSUDCSA-N 434.463 5.607 30 10 IKEE CCc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2cccc(OC)c2)C3=O)cc1 1871454796 YHWNWIAHFXFOGO-OYKKKHCWSA-N 443.499 5.200 30 10 IKEE Cc1cc(OCC(=O)Nc2ccccc2Cl)cc2c1C(=O)/C(=C/c1cccc(F)c1)O2 1871455226 GZMJYNFBQIBRKM-NHDPSOOVSA-N 437.854 5.421 30 10 IKEE Cc1c(OCC(=O)Nc2ccccc2F)ccc2c1O/C(=C\c1cccc(Cl)c1)C2=O 1871459747 AXKRRNZZVKYSDO-MTJSOVHGSA-N 437.854 5.421 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)CCCC 1871947351 YTCODLXMDNPKSU-SFHVURJKSA-N 435.417 5.109 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccccc1C)S(=O)(=O)c1cc(C)ccc1C 1872412276 HYWLGRJVBCRPGS-HSZRJFAPSA-N 442.625 5.376 30 10 IKEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccc(C)cc1 1872450235 ATFWJYPYGYCDTN-QHCPKHFHSA-N 428.598 5.103 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccccc1CC)S(=O)(=O)c1cccs1 1872475994 XVRNGSNKGOXOPK-FQEVSTJZSA-N 434.627 5.075 30 10 IKEE N#C[C@H](C(=O)c1c(F)cccc1Cl)c1nc(-c2cccc(Br)c2)cs1 1872763552 OUWUFPYYGYWXNK-GFCCVEGCSA-N 435.705 5.855 30 10 IKEE CC(C)c1ccccc1O[C@@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872763766 UOQPNGBTWRVLGS-HNAYVOBHSA-N 435.505 5.485 30 10 IKEE N#C[C@@H](C(=O)Cc1ccc(Br)cc1)c1nc(-c2ccc(F)c(F)c2)cs1 1872777673 SNHBHGWGRVTKHX-AWEZNQCLSA-N 433.277 5.270 30 10 IKEE CCOc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872787262 FPSBKNQBAVPCJA-HNNXBMFYSA-N 447.343 5.771 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(Cl)cc3)n2)cc1Cl 1872789646 PUNOSYHWQWDECS-HNNXBMFYSA-N 433.316 5.381 30 10 IKEE C=CCNC1=C(c2ccccc2Br)C(=O)N(CCCCCCCCCC)C1=O 1873070420 UFEXLNFYQQYVIY-UHFFFAOYSA-N 447.417 5.445 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCCC3 1873935696 WGIHZLKRGORLHX-IBGZPJMESA-N 427.585 5.696 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1ccccc1OC 1874204334 VYQCYWJVCAPJBV-FSJBWODESA-N 449.363 5.333 30 10 IKEE C=CCSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1cccc(Cl)c1 1874209725 SKEIZLWEPBQVDF-LPYMAVHISA-N 447.789 5.445 30 10 IKEE CCCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccccc1Cl 1874214158 YUQBSXDHQWYPFB-BUVRLJJBSA-N 449.407 5.981 30 10 IKEE C=C(C)CSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1cccc(O)c1 1874225568 REYLEXFXYZRFMF-MFKUBSTISA-N 436.581 5.163 30 10 IKEE CCCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(C(C)(C)C)cc1 1874271108 FIXMZXARESSHSF-TURZUDJPSA-N 442.632 6.704 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(OCCC)cc1 1874365468 DJNKZPXOVHGZSU-ZVHZXABRSA-N 426.973 5.938 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2ccccc2F)cc1 1874387290 FLIVZZFGMHOYDT-JVWAILMASA-N 430.552 5.799 30 10 IKEE COc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccccc2Cl)c1 1874438372 CALISDIGKAVNMB-ZVHZXABRSA-N 428.989 5.703 30 10 IKEE CCOc1cc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C2CCCC2)ccc1O 1874452927 VMIIWEKSDSETEM-AFUMVMLFSA-N 440.544 5.354 30 10 IKEE Fc1ccc(CSc2nnc(C(F)(F)F)n2/N=C/c2ccc(Cl)cc2Cl)cc1 1874459546 SRJVLOIQCDFQIF-KTZMUZOWSA-N 449.260 5.917 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1cccs1 1874492185 CIBPVJOLFHDHNU-UFFVCSGVSA-N 425.410 6.019 30 10 IKEE CC(C)c1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc(Cl)cc1Cl 1874513796 QCCWNPGKKGOABF-AUEPDCJTSA-N 439.799 6.536 30 10 IKEE CC(C)(C)Cc1nnc(S)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 1874560006 BNSXZQBTNCRZFQ-WYMPLXKRSA-N 449.407 5.923 30 10 IKEE Cc1ccc(COc2ccc(/C=N/n3c(S)nnc3CCc3ccccc3C)cc2)cc1 1874562321 OHFGOSXLFGSBKW-WPWMEQJKSA-N 442.588 5.430 30 10 IKEE Cc1ccccc1COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(Br)cc1 1874574612 VZSHTJZLZQQLDL-XYOKQWHBSA-N 441.752 6.886 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2C)cc1 1874578077 UWBUSULUDZYNON-GXDHUFHOSA-N 449.934 5.961 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C)cc2)c1OCC(=O)Nc1cc(C)ccc1C 1874579722 FFJJTXYSUGCBAT-CCEZHUSRSA-N 429.516 5.534 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OCC(=O)N[C@@H](C)c1ccccc1 1874595557 RLZRQOWOKKFEBI-YLZCUGDYSA-N 449.934 5.501 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1 1874595717 ACCJQOLHTUCFBG-OQLLNIDSSA-N 443.543 6.006 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1OCc1ccc(Cl)cc1 1874599679 YXHSEQSNJOXKAK-XYOKQWHBSA-N 434.963 7.057 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OCC(=O)NCc2ccco2)c1 1874599795 DRZAREQIADGWCD-ACCUITESSA-N 431.532 5.477 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OCc3nc(O)c4ccccc4n3)c2)cc1C 1874600210 ZOMMKOCJISZWKA-VAWYXSNFSA-N 440.499 5.436 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1ccc(F)cc1F 1874611638 ORMUJSRQPFAMBF-YCRREMRBSA-N 447.250 6.342 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Cl)c1OCc1ccccc1C 1874611901 UUNKXUXFERRWMM-DHZHZOJOSA-N 442.889 6.800 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)NC3CCCCC3)c(Cl)c2)c(C)c1 1874615428 XMIXUJCXYAANQW-FMIVXFBMSA-N 425.956 5.681 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1OCCc1ccccc1 1874615831 BJGYDMMTAYQKJR-YRNVUSSQSA-N 427.327 6.520 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2)c(Br)c1)c1cccc2ccccc12 1874622963 DZQYKWCUPYKLHN-FYWRMAATSA-N 443.340 7.077 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OCC(=O)N(CC)CC 1874633247 SQRYLKGEJJPWAI-ZRDIBKRKSA-N 443.971 5.499 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)COc3cccc(C)c3C)c2)cc1 1874696806 MODOMQLCNLSBNC-RIYZIHGNSA-N 446.499 5.201 30 10 IKEE COc1ccccc1CC(=O)Oc1cccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)c1 1874711188 TVQTXHBCWASIHN-BUHFOSPRSA-N 428.528 5.973 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1OC(=O)c1ccc(C)cc1 1874716125 CBCFNYHIGFNTJD-XNTDXEJSSA-N 442.555 6.725 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)c(F)c2)cc1)c1ccc(-c2ccccc2)cc1 1875080269 HILLOSWMQCBUHZ-CAOOACKPSA-N 440.445 6.747 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3Cl)cc2)c1 1875104081 FKJYUMUPYPXJAL-KPKJPENVSA-N 427.283 6.117 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)c(C)c3)c([N+](=O)[O-])c2)cc1C 1875108393 MXOJNRSDAKUAQU-UXBLZVDNSA-N 445.471 5.644 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)c1ccc(OC)cc1 1875119668 GQYSKPPCKLTMNY-OQLLNIDSSA-N 432.472 5.218 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2OC)cc(OC)c1OC(=O)C(F)(F)F 1875144382 QEXZWPOHTIAXSM-CMDGGOBGSA-N 434.410 5.105 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2)cc1 1875150321 HHYJNKNZZNIFKP-MKMNVTDBSA-N 428.484 5.828 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccncc2)c(Br)c1)c1ccc(F)c(F)c1 1875162354 JABGAEFYIKMRGI-ORCRQEGFSA-N 444.231 5.238 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc(OC)c1OC(=O)C(C)(C)C 1875184035 FOPDGGWAUFJSRM-ACCUITESSA-N 438.564 6.157 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2ccc(Cl)cc2)cc1 1875184706 MHZQPXAEGZTRBJ-MHWRWJLKSA-N 446.974 6.990 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cccs3)c(Cl)c2)cc1Cl 1875187181 OFKJWGGYHAZUMP-QPJJXVBHSA-N 447.339 6.108 30 10 IKEE C[C@@H](c1cccs1)N(Cc1ccccc1)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 1915407675 PJZXYXMXYJZXCU-FQEVSTJZSA-N 433.426 5.811 30 10 IKEE Cc1cc(Br)c(F)c([C@@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)c1 1927537475 GIGAVLHTPKLXDC-MRXNPFEDSA-N 439.350 5.960 30 10 IKEE CC[C@H]1C[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)CN1Cc1ccccc1 1937132928 ZXJRHRUTGCAWRD-GBXCKJPGSA-N 425.598 5.432 30 10 IKEE C#Cc1ccc([C@@H](CCNC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)O)cc1 1952224464 KPUBCMPEIDGODA-NRFANRHFSA-N 439.511 5.155 30 10 IKEE CCCN(CCC#N)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC 1985183437 XBDKOJPDJJWEQG-DFBJGRDBSA-N 447.579 5.092 30 10 IKEE CC[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1987801856 XDDITQPDNCITMD-JTSKRJEESA-N 435.590 5.167 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)C2(C#N)CC3(CN(C(=O)OC(C)(C)C)C3)C2)cc1 2011945133 KUIJEQITHUOECL-UHFFFAOYSA-N 427.545 5.030 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@]1(C#N)C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21 2070327482 LIQWKUZBJXOPJM-YCUIJWHHSA-N 436.527 5.845 30 10 IKEE CC1([C@@H](c2ccc(C3CC3)cc2)n2nc(C3CC3)c(C#N)c2I)CC1 2079023548 UYSSPWGCIMSSLM-LJQANCHMSA-N 443.332 5.504 30 10 IKEE CCCOc1ccc([C@@H](C2CC2)n2nc(C(F)(F)F)c(C=NO)c2Br)cc1 2080089180 UZIPPGDLZZISFI-OAHLLOKOSA-N 446.267 5.261 30 10 IKEE CC[C@H](c1ccc(OC(C)C)cc1)n1nc(C(C)C)c(C#N)c1I 2080114648 WXGMNJWNFYWPRX-QGZVFWFLSA-N 437.325 5.269 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1c1cc(Cl)n2nc(C3CCCCC3)c(C#N)c2n1 2081420185 JBAQPDBBOQYADF-GOSISDBHSA-N 443.979 5.764 30 10 IKEE Cc1ccc(I)cc1Nc1cc(Br)cc(F)c1C#N 2107448134 TVBGLRWKDZUZHX-UHFFFAOYSA-N 431.046 5.117 30 10 IKEE CC(C)[C@@H](C)N(Cc1ccccc1)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(F)(F)F 2116144158 CNDGIPIUBMTCBL-GOSISDBHSA-N 447.350 6.056 30 10 IKEE CCN[C@]1(C#N)C[C@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)CC2(CCC2)C1 2127160253 ZRDTYQCUXRFNQF-XRKRLSELSA-N 444.667 5.215 30 10 IKEE N#Cc1ccc(N[C@@H]2CCN(Cc3ccccc3)CC23CCC3)c(F)c1Br 2154919667 FHELMVMVLYPIKD-LJQANCHMSA-N 428.349 5.317 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@]2(Nc3cc(Br)cc(F)c3C#N)CCC[C@@H]12 2163689476 GSDONTHVEPNEJM-XLIONFOSSA-N 438.341 5.194 30 10 IKEE C[C@@H]1CCCN(c2ccc(C#N)cc2Br)[C@H]1CCCNC(=O)OC(C)(C)C 2174808313 MNBYXRXZMBVEEK-QAPCUYQASA-N 436.394 5.231 30 10 IKEE C[C@@H](CC1CCN(c2cc(Br)ccc2C#N)CC1)N(C)C(=O)OC(C)(C)C 2203597412 WRPYPIVHUNRTFC-HNNXBMFYSA-N 436.394 5.183 30 10 IKEE CN[C@@H](C#Cc1ccccc1Br)c1cc(Cl)cc(NC(=O)OC(C)(C)C)c1 2235723594 LHPHEBHQXKKLBF-IBGZPJMESA-N 449.776 5.762 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 2248877719 GXFXTYZPSWAELF-MIVVTYSHSA-N 433.593 5.142 30 10 IKEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1sc(Br)c(C)c1C 2254674389 UFBXQBCVRSVDGD-LSDHHAIUSA-N 429.424 5.085 30 10 IKEE C[C@H](N(Cc1ccccc1)C(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2267402554 AVTFFAHRYJGTDF-SFHVURJKSA-N 439.380 5.202 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)C1(C#N)CCC2(CCS2)CC1 2272963584 LNOUMKNAYHLGCJ-UHFFFAOYSA-N 437.403 5.903 30 10 IKEE C=CCC1(COc2nc(Cl)c(Cl)cc2Cl)CCN(C(=O)OC(C)(C)C)CC1 2287705146 FBTZWDKZLGZZCI-UHFFFAOYSA-N 435.779 6.014 30 10 IKEE Cc1ccc(NC=C2SC(=Nc3ccc(C4CCCCC4)cc3)N(C)C2=O)cc1Cl 2295213111 FEOYDAIPBVXBKG-UHFFFAOYSA-N 440.012 6.842 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H](C(C)C)N(C)C(=O)OC(C)(C)C 2296287888 AFIXHKVGENDHFX-WOJBJXKFSA-N 437.422 5.060 30 10 IKEE Cc1ccc(N=C2NC(=O)C(=Cc3ccc(-c4cc(Cl)ccc4Cl)o3)S2)c(C)c1 2296684220 GJQAKTFKLDGHOQ-UHFFFAOYSA-N 443.355 6.762 30 10 IKEE CN(C)c1ccc(C=C2SC(=Nc3ccccc3)N(CCc3ccccc3)C2=O)cc1 2297307836 CUIUOADXVJYRCI-UHFFFAOYSA-N 427.573 5.599 30 10 IKEE C[C@@H]1CC[C@]2(N=Cc3ccccc3O)Oc3ccccc3[C@H](N=Cc3ccccc3O)[C@@H]2C1 2313625006 OWYKDRRRWCDWCE-OHRJOTIESA-N 440.543 5.902 30 10 IKEE CC=CC(=O)NCCCCCc1nc2ccccc2n1CCCCCCCCCCCC 2314884316 FEXSAQFTVDOKBY-UHFFFAOYSA-N 439.688 7.362 30 10 IKEE COC1(C#C[C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCC1 2315701741 XQCKMOMGNRDBOE-RUZDIDTESA-N 428.528 5.451 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCc3ccccc3)nnc2C2CC2)cc1OC 2320851438 UYJVPBUHBMHFJF-UHFFFAOYSA-N 436.581 5.518 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc3c2CN(CCc2ccccc2)CO3)C1=O 2321937148 KGKCTTBRHPXKJK-UHFFFAOYSA-N 427.500 5.096 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O3)CN(Cc1ccco1)CO2 2321962613 WHQJUISKVOCLCI-UHFFFAOYSA-N 442.298 5.863 30 10 IKEE Sc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccccc1OCc1ccccc1 2322034956 UBUQVKSMHNSFOB-UHFFFAOYSA-N 434.952 5.272 30 10 IKEE CC(C)(C)c1ccc(OCCCc2nnc(S)n2N=Cc2ccccc2Cl)cc1 2322278299 KADSHDQVSHCVIV-UHFFFAOYSA-N 428.989 5.412 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(C)c2)c(C)c1 2322573067 WBEPWJYKUZSPGC-UHFFFAOYSA-N 447.962 6.487 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2ccc(F)cc2)c1 2322617484 VLGAJHIUXXUHAW-UHFFFAOYSA-N 437.898 6.010 30 10 IKEE Cc1c(OC(=O)c2ccc(C(C)(C)C)cc2)ccc2c1OC(=Cc1ccc(Cl)cc1)C2=O 2322737773 JSVAXAFUWYXOGG-UHFFFAOYSA-N 446.930 6.781 30 10 IKEE O=C(Cc1ccc(Cl)cc1)Oc1ccc2c(c1)OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2322894815 VUYHRHRAIZTNRW-UHFFFAOYSA-N 435.819 5.013 30 10 IKEE CC(=O)Nc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)c1 2322953390 MNSPXLRPINHVKN-UHFFFAOYSA-N 441.483 5.604 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc2c(c1C)OC(=Cc1ccc(F)cc1)C2=O 2323176652 WMNAVBVEAYHSQE-UHFFFAOYSA-N 446.474 5.823 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCc3ccc(Cl)cc3)c2)c2ccccc12 2323331615 VHECVSYJFPVGDI-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2)c(Br)c1)c1cccc([N+](=O)[O-])c1 2323374339 CSHKNOKUJGBCLM-UHFFFAOYSA-N 438.277 5.832 30 10 IKEE Cc1ccc(C)c(COc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2[N+](=O)[O-])c1 2323676643 SXACDDBNOKCWEN-UHFFFAOYSA-N 432.432 5.595 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Cl)c1OCc1ccccc1C 2323725746 UUNKXUXFERRWMM-UHFFFAOYSA-N 442.889 6.800 30 10 IKEE C=C(C)COc1ccc(C=CC(=O)c2ccc(OCCC)c(OCCC)c2)cc1OCC 2323752484 LAAYSTAGKQUTSB-UHFFFAOYSA-N 438.564 6.514 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OCC(=O)Nc1ccc(F)cc1 2323896647 DVPSDKSQMWLDPO-UHFFFAOYSA-N 449.478 5.065 30 10 IKEE COc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)c(OC)c1 2324356667 KKKITRUANCCGRC-JOCHJYFZSA-N 444.556 5.596 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(C(C)C)cc3)n2)cc1OC 2324366201 ZTHOHXYZCSPDRR-FQEVSTJZSA-N 432.545 5.840 30 10 IKEE COc1cccc(C=C2Oc3cc(OCCCCOc4ccccc4C)cc(C)c3C2=O)c1 2324598882 XJWAGIULPVVVAF-UHFFFAOYSA-N 444.527 6.166 30 10 IKEE Cc1ccccc1OCCCCOc1ccc2c(c1C)OC(=Cc1ccccc1F)C2=O 2324599101 UJAVDVXVVCVTLY-UHFFFAOYSA-N 432.491 6.297 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1N=Cc1cccc(Br)c1 2325512874 KRCASSSFUYXSBX-UHFFFAOYSA-N 443.414 5.866 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCC(=O)Nc4nc5ccccc5s4)ccc3C2=O)c1 2325589944 LUXKRNKCXHDMIX-UHFFFAOYSA-N 442.496 5.238 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2)C3=O)cc1 2325619991 AHXGVFNJSRRCGM-SFHVURJKSA-N 441.527 6.142 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccc(C(C)C)cc1)C2=O 2325714260 DKQORCBPGBAWQB-UHFFFAOYSA-N 441.527 6.061 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)[C@H]3C[C@H]3c3ccccc3Cl)c2)cc1C 2325760635 LGKZHNGAYZWZNV-ZEQRLZLVSA-N 430.931 6.562 30 10 IKEE CCOc1c(Cl)cc(C=Nn2c(CC)nnc2SCc2ccc(C)cc2)cc1Cl 2326296290 SEPOPTTUMMHZOZ-UHFFFAOYSA-N 449.407 6.029 30 10 IKEE Cc1nnc(SCc2cccc(Cl)c2)n1N=Cc1cc(Cl)c(O)c(Cl)c1 2326467622 JMIGAYQPKVFZJL-UHFFFAOYSA-N 427.744 5.427 30 10 IKEE C=CCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc(Cl)cc1 2326608033 TXAQDLGWXKXGBW-UHFFFAOYSA-N 432.980 6.030 30 10 IKEE CCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccc(O)c(OC)c1 2326927007 NVQBHJVZZRPTFP-UHFFFAOYSA-N 440.613 5.136 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(CCCOc2ccc(C)cc2)nnc1SC 2327144731 GXJUAZNFJRNSFN-UHFFFAOYSA-N 446.576 5.364 30 10 IKEE Cc1cccc(CSc2nnc(COc3c(C)ccc(C)c3C)n2N=Cc2ccc[nH]2)c1 2327252071 SEUQLYBYVWAFPD-UHFFFAOYSA-N 445.592 5.593 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2N=Cc2ccc(OCC)cc2)CC1 2328180570 JLOKMWYTXPBQRI-UHFFFAOYSA-N 428.646 6.525 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CCc2ccc(OC)cc2)nnc1SCC(=C)C 2328576569 GUKMKGIGKIVDLY-UHFFFAOYSA-N 448.592 5.187 30 10 IKEE C=CCSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1ccc(OCCC)cc1 2328801554 VOKKSBVYDWYSJI-UHFFFAOYSA-N 436.581 5.423 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)C=Cc3cccc(F)c3)C2)c1 2329101361 KJNXPXJVXZGFHT-DEOSSOPVSA-N 449.570 5.098 30 10 IKEE CCc1ccc(C=Nn2c(SCc3ccccc3C)nnc2[C@H](C)c2ccccc2)cc1 2330057347 LWRQVFIYQFUILR-OAQYLSRUSA-N 440.616 6.475 30 10 IKEE Cc1ccccc1CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1ccccc1Cl 2330057870 YNBHCDMZHVSOBU-LJQANCHMSA-N 447.007 6.566 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2ccccc2)n1N=Cc1ccccc1Cl 2330172797 DOONQQYTJJIGIS-UHFFFAOYSA-N 447.007 6.200 30 10 IKEE CCc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2-c2ccccc2)cc1 2330684697 IKEJCBRZKVJISS-UHFFFAOYSA-N 432.980 6.335 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c(OC)c2)c1 2330800518 YOYVMCQHUWZHRN-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(CCCC)cc2)cc(OC)c1OC(=O)c1ccco1 2330844999 MVVVBFIZMQKJLR-UHFFFAOYSA-N 444.527 6.475 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2Cl)cc(OC)c1OC(=O)c1cncc(C)c1 2330949025 AFFIZTZPBUDVLA-UHFFFAOYSA-N 447.918 5.896 30 10 IKEE Clc1cccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2[C@@H]2CCCO2)c1 2330994560 RXHOZORDLOGQFM-SFHVURJKSA-N 433.364 5.611 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Br)c2)cc(Cl)c1OC(=O)C1CC1 2331004503 HHTVFGKQTMGZCA-UHFFFAOYSA-N 449.728 5.713 30 10 IKEE COc1cccc(C=Nn2c(SC)nnc2C2CCCC2)c1OCc1cccc(C)c1 2331009325 YSKWUWZWAKWRFJ-UHFFFAOYSA-N 436.581 5.436 30 10 IKEE COc1cc(C=Nn2c(SCc3cc(C)ccc3C)nnc2C2CCCC2)ccc1O 2331071674 DSMCSEOXYWIXKZ-UHFFFAOYSA-N 436.581 5.441 30 10 IKEE CSc1nnc(C(F)(F)F)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2331104237 UKCXZEDMZUUVCU-UHFFFAOYSA-N 426.851 5.133 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1N=Cc1ccc(CC)cc1 2331320733 YXYURBHGBFJKIL-UHFFFAOYSA-N 449.624 5.413 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)[C@@H](C)c1ccccc1 2331345428 JFDRHDOVPVQPAX-IBGZPJMESA-N 432.491 6.138 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C(C)(C)C)c1 2331400601 ADRKHINGUWPNIJ-UHFFFAOYSA-N 449.407 6.071 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3cccnc3)c(Cl)c2)cc1C(C)C 2331575462 WCBMGCWWYUESPL-UHFFFAOYSA-N 449.934 6.291 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1cnc(C)cn1 2331653680 UTIVPQXVGUDRBY-UHFFFAOYSA-N 444.531 5.533 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc(C=CC(=O)c3cc(C)cc(C)c3OC)cc2)c1 2331659381 VMJRBXRPAQIIJY-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE COc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1 2331659568 ZVSOBOQKHJQGAE-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE CC(C)c1nnc(SCc2cccc3ccccc23)n1N=Cc1c(F)cccc1Cl 2331705769 KJJPVADTGMWNCZ-UHFFFAOYSA-N 438.959 6.522 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cc(OC)c(OC(=O)CC(C)C)c(OC)c1 2331741438 WFBRASUMKJVHDK-UHFFFAOYSA-N 446.927 5.522 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2cnccn2)c(Cl)c1 2331756744 BGLXCJVXACHXSZ-UHFFFAOYSA-N 443.286 5.216 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)c(OC)cc2C)cc(OC)c1OC(=O)C(F)(F)F 2331854061 AJTKPJUQGQBNOL-UHFFFAOYSA-N 448.437 5.413 30 10 IKEE C[C@H](CNC(=O)OC(C)(C)C)C[C@@H](C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339578226 DOQOEEQMCWXNJR-UCMOUWFMSA-N 446.397 5.044 30 10 IKEE CCCCCCCCCOCc1ccc(I)c(Br)c1 2349812258 LDWYDBPHTXQJOY-UHFFFAOYSA-N 439.175 6.321 30 10 IKEE COc1ccc(S(=O)(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1 39866978 JJCIYKPONWDUSL-UHFFFAOYSA-N 430.485 5.295 30 10 IKEE C=CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccc(C)cc2)cc1 39879450 XRVZUXWYASMMFB-VWLOTQADSA-N 437.495 5.724 30 10 IKEE Cc1c(OC(=O)c2cccc(F)c2)ccc2c1O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 41430529 IHZKDFSANKXILA-UCQKPKSFSA-N 430.475 6.267 30 10 IKEE Cc1ccc(/N=C/c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)c(Br)c1 59302945 ZHEKBBJHYBTQBB-BHGWPJFGSA-N 445.744 6.267 30 10 IKEE O=c1c2cc(Br)ccc2nc(/C=C/c2ccccc2)n1/N=C/c1ccccc1 59482472 QULIQMXCWCBNKO-SHXDQTRASA-N 430.305 5.212 30 10 IKEE C=CCN(CC=C)C(=O)C1CCN(c2nc(C)nc3sc(-c4ccccc4)cc23)CC1 96463996 KHRVAVQKPJDXKN-UHFFFAOYSA-N 432.593 5.084 30 10 IKEE CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(C)cc2)S/C1=N/c1cccc(C)n1 101125504 ICIYVYJDHAEHDQ-GTNDZFBQSA-N 443.572 5.901 30 10 IKEE CCCCCCCCCn1c(CNC(=O)COc2cc(C)ccc2C)nc2ccccc21 102126734 SHSTVZTXSIQBLZ-UHFFFAOYSA-N 435.612 6.099 30 10 IKEE CCOc1ccc([C@@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 102907572 XINCQOIJQABJQG-UGUGFTGJSA-N 447.918 5.673 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)ccc1OCC(=O)Nc1ccccc1C 164442409 BIYOTHMHMNJUGE-WYMLVPIESA-N 445.515 5.316 30 10 IKEE COc1ccccc1-c1csc(N/N=C\c2cccc(OCc3ccc(Cl)cc3)c2)n1 169939955 MIGFRGYEOYLEGY-WGARJPEWSA-N 449.963 6.497 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccc(O)cc2)cc1 169958051 LKAKVEKAOUMVQK-RUZDIDTESA-N 441.527 5.861 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccccn2)cc1 169992414 URXBBCQUYUMSEH-RUZDIDTESA-N 440.543 5.481 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)(C)C)cc2)[C@H]1c1cccnc1 170003103 SCQPZJVVVYMEQC-QHCPKHFHSA-N 442.515 5.171 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2ccc(C)cc2)c1 170036988 BDOJNCNBAITYFV-XMMPIXPASA-N 443.499 5.185 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2ccccc2)c1 170047310 FNAMIBYUJYJDAL-NRFANRHFSA-N 448.544 5.332 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)ccc1F 170057860 YBSYFGNZZOZHBJ-NRFANRHFSA-N 439.845 5.710 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)c1 170057869 XKYVXJIGDYOYLW-NRFANRHFSA-N 437.854 5.271 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1cccc(O)c1)c1cc2ccccc2o1 170081457 MKCOHXKOANKWRJ-QFIPXVFZSA-N 445.858 5.575 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1cccc(C)c1 170140775 MVTOCMGRNCDPIO-QFIPXVFZSA-N 435.426 5.065 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OC(C)C)cc1 170152015 IUTONBGBSVSJEJ-NRFANRHFSA-N 427.928 5.506 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2cccs2)cc1 170159742 QJDUVMQBOUULGZ-QFIPXVFZSA-N 431.513 5.164 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(OCC(C)C)cc1 170167320 QNBQGDPYAQEAOZ-RUZDIDTESA-N 443.543 5.863 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccn1)c1ccc(Cl)c(Cl)c1 170169845 WQCOZEKRTVVJDP-LJQANCHMSA-N 443.261 5.310 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccncc2)c1 170202558 BMTDLKUKZXAZJS-DEOSSOPVSA-N 442.515 5.270 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccccc2)cc1C 170223190 APDLYLFFHUVYQK-HSZRJFAPSA-N 449.453 5.455 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@H]1c1ccccc1 170225043 PCQUPOXSCKRALX-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1ccccc1)c1cccc2ccccc12 170229521 ZOZNBLRPYDPLAD-DEOSSOPVSA-N 441.433 5.901 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(Cl)cc2)cc1 170237076 AZEIOHLHHWFDPU-QFIPXVFZSA-N 439.939 5.648 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccc(F)cc2)cc1 170239730 VUFQHVGTUPXNSX-QHCPKHFHSA-N 426.447 5.398 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1F)c1cccc(Cl)c1 170248179 GMHFLTMRXLXTMR-FQEVSTJZSA-N 425.818 5.401 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2ccccc2F)c1 170248631 PFBRRYJLNHRRCM-DEOSSOPVSA-N 443.474 5.242 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@@H]1c1ccc(CC)cc1 170267876 QWUSCUQSYWEYRB-NRFANRHFSA-N 427.928 5.289 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccccc2C)c1 170271579 NFJSTZSJXQJIBF-AREMUKBSSA-N 433.507 6.240 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1c1ccc(F)cc1 170313891 OMRKDHPTOJLQIB-JOCHJYFZSA-N 447.531 5.857 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2sccc2C)c1 170314398 QKAABVIMBOOSOJ-NRFANRHFSA-N 431.513 5.083 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1Cc1cccnc1 170316942 ZEFBQGJOLPVHOG-NRFANRHFSA-N 448.544 5.017 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@H]1c1sccc1C 170318594 TWNVSRXAMRKYQS-KRWDZBQOSA-N 448.382 5.506 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@H]1c1sccc1C 170319258 AXMGYRXMVSTDSL-IBGZPJMESA-N 447.984 5.877 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C(F)(F)F)cc2)c1 170431356 UABSIHCUDPYDPV-LJQANCHMSA-N 443.377 5.090 30 10 IKEE O=C(NCc1ccco1)c1ccsc1N=Cc1cn(Cc2ccccc2)c2ccccc12 254816512 QEZXMCVQMNVIHA-UHFFFAOYSA-N 439.540 6.025 30 10 IKEE CCCCN1C(=O)/C(=C2/Sc3ccccc3N2CC)SC1=Nc1ccc(C)cc1O 254820863 ICCMDCIAIFKJMN-JSYGVCDLSA-N 439.606 5.865 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=S)Nc2ccc(C)cc2)cc1 254867151 WYFXXQFMSHBTCY-UHFFFAOYSA-N 441.560 5.177 30 10 IKEE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2cccc(C#N)c2)[C@@H]1c1cccc(F)c1 526520046 FPHOJLJBSRIRKM-HSZRJFAPSA-N 444.462 5.162 30 10 IKEE CCN(C1=C(Sc2ccc(C)cc2)C(=O)N(c2ccccc2C#N)C1=O)c1ccccc1 526685885 GEGILKUUOWZRMP-UHFFFAOYSA-N 439.540 5.270 30 10 IKEE Cc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccc(Cl)cc2)cc1 526809068 WVHYCVGXONYDFG-QQXSKIMKSA-N 432.980 6.005 30 10 IKEE N#Cc1ccc(CN(c2cccc(F)c2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 586241630 QJSXCKQTMVHLFN-UHFFFAOYSA-N 435.307 5.400 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)CN(C(=O)OC(C)(C)C)C(C)(C)C)cc1 698893954 WPQMWTSZUGANMZ-GOSISDBHSA-N 447.576 5.364 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C1 724073647 WIOOONOTBBCIIV-HJPURHCSSA-N 449.979 5.669 30 10 IKEE O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1cccc(N=Cc2cc(Cl)ccc2O)c1 1084628638 OFYJCZVCQPYFOO-UHFFFAOYSA-N 436.773 6.516 30 10 IKEE COc1ccc(CCn2c(O)c(N=Nc3ccc(C)c(C)c3)c(C)c(C#N)c2=O)cc1OC 1772740033 AREXVQBRSJWSQB-UHFFFAOYSA-N 446.507 5.026 30 10 IKEE Cc1ccc(NC(=S)N/N=C\c2cn(-c3cccc(F)c3)nc2-c2ccccc2)cc1C 1857809264 SVOYFAMOTRPKKO-DICXZTSXSA-N 443.551 5.616 30 10 IKEE CC(C)c1cc(C(=O)Nc2oc3c(c2C#N)CCCC3)c2cc(Br)ccc2n1 1859662791 VFGYFELWCUJBEX-UHFFFAOYSA-N 438.325 5.716 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2cc(OC)ccc2OC)n(-c2ccccc2Cl)n1 1862351562 WUOAGSDITBLLOP-UHFFFAOYSA-N 437.927 5.024 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccccc2)c1 1862441719 MIKTUOXSUGAKFT-QHCPKHFHSA-N 431.919 5.735 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCc3ccccc3)[C@@H]2c2ccccc2F)cc1 1862474490 ORQVLMDDEVXJQH-RUZDIDTESA-N 443.518 5.735 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C34CC5CC(CC(C5)C3)C4)[C@@H]2c2cccc(C)c2)cc1 1862475485 MYEXTVVBMJSNFD-MMBGETBOSA-N 441.571 5.851 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccccc2F)c1 1862489393 VRQXUMHFOKDMLV-DEOSSOPVSA-N 445.490 5.230 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccccc2Cl)c1 1862490662 APPKIJKPSVBUQL-HSZRJFAPSA-N 449.909 5.874 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(C(C)C)cc1 1862504085 MAQHYWLVRNNNQQ-XMMPIXPASA-N 437.555 6.416 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862510574 CBZVBMGQJZIKJG-CWTRNNRKSA-N 446.862 5.073 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(OCCCC)cc1 1862553878 PXZXLCMZAYVMGW-RUZDIDTESA-N 445.559 5.509 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1c(Cl)cccc1Cl 1862554254 YQAXQAMFDFZZDL-NRFANRHFSA-N 442.342 5.637 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2cccc(Cl)c2)c1 1862591958 RUHZSAOUVDFCBY-HSZRJFAPSA-N 447.918 5.441 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCC(C)C)cc1 1862617032 UBDGJCGITAOVME-XMMPIXPASA-N 433.592 6.171 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(F)cc2)cc1F 1862639258 USHSMHFXZRJEEC-JOCHJYFZSA-N 441.474 5.275 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CC(C)C)ccc1O 1862656197 YKUXPTJCZHLYES-XMMPIXPASA-N 445.515 5.178 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2cccc(O)c2)cc1 1862663171 QGTGILRGWWWCHB-XMMPIXPASA-N 433.548 5.817 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C(C)C)cc1 1862670878 DOCXVLIGXODKHH-RUZDIDTESA-N 449.591 6.366 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc(F)c1 1862674272 UZGODYZYKAUMSH-JOCHJYFZSA-N 427.491 5.904 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2cccc(C)c2)c1 1862698439 HJEUJNUMNZMMEJ-XMMPIXPASA-N 433.548 5.695 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2cccc(C)c2)c1 1862698718 LVKXHFFPPRMPGN-HOYKHHGWSA-N 427.500 5.343 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C2CCCCC2)cc1 1862713690 UGHWEBWAUHRROX-RUZDIDTESA-N 425.528 6.059 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccc1F 1862714397 BQSSMAWNVGRHLD-XMMPIXPASA-N 431.507 6.138 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CC(C)C)cc1OC 1862716579 JEEAEWVCTQPYDE-XMMPIXPASA-N 445.515 5.091 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccc(F)c1 1862724897 WREPSKHPELWXDN-VWLOTQADSA-N 443.518 6.261 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(F)c(C)c2)C1=O 1863460755 COXHGVLCYCDAAA-OAQYLSRUSA-N 433.527 5.557 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(C)cc2C)=C(c2cccs2)C1=O 1863476672 SCPWCGJPAOPDJO-UHFFFAOYSA-N 438.637 6.698 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(NC(C)=O)cc2)C(=O)N(CCCC)C1=O 1863542708 CTPSXUZIPYLTQY-UHFFFAOYSA-N 441.616 5.255 30 10 IKEE CCCCCCCCCCNC1=C(c2cccs2)C(=O)N(CCc2cccs2)C1=O 1863804901 HOIWWZUATBJIQU-UHFFFAOYSA-N 444.666 5.863 30 10 IKEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2CCC)[C@@H]1c1ccccc1 1864007678 RVZIENYUSYVGIH-NRFANRHFSA-N 438.616 5.027 30 10 IKEE N#Cc1cc(Br)c(NC(=O)CCc2cccc(Cl)c2)c(Br)c1 1866093265 OUSOUQFOILMARP-UHFFFAOYSA-N 442.538 5.308 30 10 IKEE Cc1cc(C)c(Cn2nnc(C#N)c2NC(=O)CCCOc2ccccc2C(C)C)c(C)c1 1870111217 DGOHJYTUVSJPBZ-UHFFFAOYSA-N 445.567 5.044 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCC=C(C)C)cn1CCCCCCCCCC 1870611966 HGALRLPHCBSACE-UHFFFAOYSA-N 428.661 6.508 30 10 IKEE C=CCn1cc(OCCOC(C)C)c(=O)cc1CNc1cccc(OCc2ccccc2)c1 1870987289 QVVZVHMQIVZCQD-UHFFFAOYSA-N 448.563 5.029 30 10 IKEE C=CCn1cc(OCc2c(F)cccc2Cl)c(=O)cc1CNc1cccc(Cl)c1C 1871089321 FYGXHJKILUBBPR-UHFFFAOYSA-N 447.337 5.980 30 10 IKEE C=CCn1cc(OCc2ccc(C)cc2)c(=O)cc1CNc1ccc(Cl)c(Cl)c1 1871205533 OLRFPIJLPXFYJZ-UHFFFAOYSA-N 429.347 5.841 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3c(cc4c(c3C)OCN([C@@H]3CCCC[C@H]3C)C4)C2=O)c1 1871355869 KFPCLAHVMHMLHM-VHXHAFSZSA-N 449.547 5.359 30 10 IKEE Cc1c(OC(=O)c2ccccc2[N+](=O)[O-])ccc2c1O/C(=C\c1ccc(Cl)cc1)C2=O 1871369275 CUZMAWBQAMQPPW-NDENLUEZSA-N 435.819 5.392 30 10 IKEE Cc1c(OC(=O)c2cccc(OCC(C)C)c2)ccc2c1O/C(=C\c1ccccc1F)C2=O 1871381409 SODXYWLFUGKYSE-OYKKKHCWSA-N 446.474 6.004 30 10 IKEE Cc1ccc(OCCCOc2cc(C)c3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1 1871404662 BMIQURKYQIAYEV-IWIPYMOSSA-N 445.471 5.676 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871411748 QRSOPNLBQPVFLU-UFAQQFSPSA-N 441.527 5.888 30 10 IKEE CCCCCCCCCOc1ccc2c(=O)c(-c3ccc(OC)cc3)c(C3CC3)oc2c1 1871429403 FXEKWEFUKGIBPA-UHFFFAOYSA-N 434.576 7.475 30 10 IKEE O=C1/C(=C/c2c(F)cccc2Cl)Oc2cc(OCc3nc(O)c4ccccc4n3)ccc21 1871431128 VTWYYRQTHAQKSG-NHDPSOOVSA-N 448.837 5.323 30 10 IKEE CCCN(CCC)C(=O)COc1cc(C)c2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O 1871431411 XYAQGDWBJNNXNO-BKUYFWCQSA-N 427.928 5.292 30 10 IKEE Cc1c(OCC(=O)Nc2ccccc2C(C)C)ccc2c1O/C(=C\c1cccc(F)c1)C2=O 1871456073 KZEQNQOEPSQIRD-OYKKKHCWSA-N 445.490 5.891 30 10 IKEE C=CCN([C@@H](C(=O)Nc1cc(C)cc(C)c1)[C@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1871996847 HDYUQOUGEQSKLJ-XMSQKQJNSA-N 449.016 5.187 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872060522 VFHMCRLQBSYQHJ-HSZRJFAPSA-N 446.588 5.125 30 10 IKEE N#Cc1ccccc1NC(=O)c1ccc2nc(-c3cccc(Oc4ccccc4)c3)[nH]c2c1 1872735037 BMGLQMWGJGCLRA-UHFFFAOYSA-N 430.467 6.146 30 10 IKEE CCCCC1CCC(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)CC1 1872761494 OLYXFIOMRSVSAT-TVPLGVNVSA-N 426.582 6.000 30 10 IKEE Cc1cccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(Br)cc3)cs2)c1C 1872765788 WYPBBOGVRNGZTK-QGZVFWFLSA-N 441.350 5.445 30 10 IKEE COc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc1OC 1872780560 JWWGHCDFHRBMHD-ZLQZBKBYSA-N 448.544 5.342 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc(COc2ccc(C(=O)OC)cc2)cc1 1872855589 DDAXBHWAPCDAPQ-UHFFFAOYSA-N 425.569 5.923 30 10 IKEE CCOc1cccc(NC(=O)c2cccc(CSc3nc(C)c(C)c(C)c3C#N)c2)c1 1872893048 DVWMAILAQLZBMF-UHFFFAOYSA-N 431.561 5.822 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccncc2)=C(c2c(C)cc(C)cc2C)C1=O 1873115752 ILYHZANJHXJMOX-UHFFFAOYSA-N 433.596 5.237 30 10 IKEE CCCCCCCCNC1=C(c2ccc(Cl)cc2)C(=O)N([C@H]2CCCC[C@H]2C)C1=O 1873138617 YJTJNGCGLULTIU-NQIIRXRSSA-N 431.020 5.949 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCCCC)=C(c2ccc(F)c(C)c2)C1=O 1873153176 UNVBMAMVICJPIA-UHFFFAOYSA-N 444.635 6.525 30 10 IKEE Cc1c(CCC(=O)Nc2cccc(C#N)c2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 1873867134 LZMDMCZRSGLBCN-UHFFFAOYSA-N 428.488 5.588 30 10 IKEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3cc(Cl)ccc3OC)c(=O)oc2c1 1873938752 DLFQRPBDEVMPCB-UHFFFAOYSA-N 441.911 5.290 30 10 IKEE CSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874212536 RJMNVUFGJUGIQD-PCLIKHOPSA-N 443.016 5.845 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1cccc(F)c1 1874212852 IMHKITWQCMQLSF-AFUMVMLFSA-N 444.963 5.633 30 10 IKEE Cc1ccc(OCCCc2nnc(SCc3ccccc3)n2/N=C/c2ccncc2)cc1 1874252799 ZJCBRKPFRQCNAJ-OVVQPSECSA-N 443.576 5.168 30 10 IKEE C=C(C)CSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccc(N(C)C)cc1 1874255407 ZZNJAERBYVFIJV-VULFUBBASA-N 449.624 5.399 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1ccc(C(C)C)cc1 1874330627 VZLSXNDRJDFDQX-JVWAILMASA-N 432.637 6.354 30 10 IKEE C=CCSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874331586 UERXILRFVXREEF-AFUMVMLFSA-N 445.419 6.147 30 10 IKEE Fc1cccc(CSc2nnc(Cc3ccc(Cl)cc3)n2/N=C/c2ccccc2)c1 1874337546 ZYZAPKAZJLNMCN-CVKSISIWSA-N 436.943 5.836 30 10 IKEE CCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1cccc(Br)c1 1874339573 BGSFLQUTTGERFB-CIAFOILYSA-N 435.778 5.279 30 10 IKEE Cc1ccc(CSc2nnc([C@@H](C)c3ccccc3)n2/N=C/c2cccc(O)c2)cc1 1874392204 GSBPURGHWNFABK-JHKMYFMNSA-N 428.561 5.618 30 10 IKEE Fc1cccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccccc2F)c1 1874402672 IKIZTPHUZARNTD-JVWAILMASA-N 434.515 5.516 30 10 IKEE Fc1ccccc1/C=N/n1c(Cc2cccs2)nnc1SCc1ccccc1F 1874412614 RSSBTYYWFBCSGV-ZMOGYAJESA-N 426.517 5.383 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3)n2/N=C/c2ccccc2O)c1 1874416695 CXNMSIVTWFIBDK-WGOQTCKBSA-N 428.561 5.366 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1 1874425384 GJPXZFNGEHHBGV-ZVHZXABRSA-N 445.504 5.042 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)(C)C)n2/N=C/c2cccc3ccccc23)c1 1874438576 HTYCRZJEKZCPBG-OGLMXYFKSA-N 442.632 6.811 30 10 IKEE CN(C)c1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2[C@H]2CCCO2)cc1 1874450609 GUFFPASPBJXKCN-LSCMLXDISA-N 441.988 5.024 30 10 IKEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2-c2ccco2)c1 1874464607 SDCBQJHODZOHDW-AFUMVMLFSA-N 445.548 5.076 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(F)cc2)n1/N=C/c1cccc(Br)c1 1874483933 VNRDMDUYWDEONP-FSJBWODESA-N 447.377 5.652 30 10 IKEE CCOc1c(/C=N/n2c(SCCc3ccccc3)nnc2C(C)(C)C)cccc1OC 1874484337 QSOSCDCKPYOHEP-KOEQRZSOSA-N 438.597 5.200 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(F)cc2)n1/N=C/c1c(Cl)cccc1Cl 1874487874 UPXLPWPRPJNCGP-BHGWPJFGSA-N 437.371 6.097 30 10 IKEE COCc1nnc(SCc2cccc(C)c2)n1/N=C/c1c(OC)ccc2ccccc12 1874498187 VJACWXGOULCMJZ-AFUMVMLFSA-N 432.549 5.069 30 10 IKEE CC(C)c1nnc(SCc2ccccc2F)n1/N=C/c1cccc(Br)c1 1874513887 VKKRXUXHHUZOIM-SSDVNMTOSA-N 433.350 5.478 30 10 IKEE CCOc1ccc(/C=N/n2cnnc2SCc2c(Cl)cccc2Cl)cc1OC 1874539615 NXTQRVOHNVJVEJ-AUEPDCJTSA-N 437.352 5.167 30 10 IKEE CSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1/N=C/c1cccc(F)c1 1874540452 OPRXERDHUSZIRI-FSJBWODESA-N 439.343 5.340 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/n2c(S)nnc2CCOC)cc1Cl 1874559920 XHKAOXWYRZFJQX-XQNSMLJCSA-N 439.025 5.421 30 10 IKEE C[C@H](c1ccccc1)c1nnc(S)n1/N=C/c1cccc(OCc2ccccc2Cl)c1 1874561393 PRNUCGROVOSDLX-CIRUFVMISA-N 448.979 5.833 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCc2c(Cl)cccc2Cl)cc1OC 1874572182 ZWXZZLVHHCOYQY-ZRDIBKRKSA-N 443.326 6.486 30 10 IKEE COC(=O)c1ccc(COc2ccc(Br)cc2/C=C/C(=O)c2ccccc2)o1 1874578518 RRDLOEAQVHQWME-JXMROGBWSA-N 441.277 5.304 30 10 IKEE Cc1ccccc1NC(=O)COc1cccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c1 1874592865 GEITWOOJVXXVDO-XMHGGMMESA-N 447.534 6.576 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(OC)c1OCC(=O)OCC(C)C 1874602315 GANOSFNUULGWJT-FMIVXFBMSA-N 448.515 5.331 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1OCCC 1874612726 JFYNSPPRVBRHHU-FOWTUZBSSA-N 430.544 6.739 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(OC)c1OCc1ccc(C)cc1 1874613327 OLXUDLRACXRLTJ-BUHFOSPRSA-N 432.947 6.861 30 10 IKEE CCCOc1c(OCC)cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc1[N+](=O)[O-] 1874627207 MCXUFNNUHNRGME-MDZDMXLPSA-N 441.524 6.119 30 10 IKEE CCOc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3cc(C)ccc3OC)c2)cc1 1874704298 HDRHRRBZEBSVAV-SDNWHVSQSA-N 430.500 5.447 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3c(C)cccc3C)c2)cc1F 1874706886 FHPMGRLQTQYOSP-ZRDIBKRKSA-N 434.463 5.332 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCCOc3ccc(C)cc3)c2)cc1F 1874706916 GMUNQVRVCYXKDO-GXDHUFHOSA-N 448.490 5.803 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cccc(OC(=O)c3cc(C)cc(C)c3)c2)c1 1874711729 IRPPPYZKZYZBSH-ZRDIBKRKSA-N 444.527 6.216 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1cccc(F)c1 1875096040 TWMMOKUDBFGUAO-GXDHUFHOSA-N 440.470 6.493 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)c1cccc(F)c1 1875121014 VPDQSXJNNNVOJE-RMKNXTFCSA-N 442.389 5.236 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)[C@@H]1CCCO1 1875125496 LONXEXUMHVRTMN-SQEWALACSA-N 426.896 5.058 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(-n3cccc3)cc2)c(Cl)c1)c1ccccc1 1875128145 PKLOIGDWAFQJCY-RIYZIHGNSA-N 427.887 6.246 30 10 IKEE CC(C)(C)CC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1Cl 1875135588 YAVBVOMWRMOOAW-XBXARRHUSA-N 425.739 6.885 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)c1 1875137719 AMYJVAIMKPDLSU-KPKJPENVSA-N 435.863 5.980 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1 1875156063 JALJYJGAHNMEFK-XDHOZWIPSA-N 442.555 6.779 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1ccc(OC)cc1 1875176731 NIZWYCWOBCDZCL-VGOFMYFVSA-N 430.500 5.826 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OCC)cc2OCC)cc1Cl 1875177729 SYBIGOIHBHDJFX-UKTHLTGXSA-N 430.928 6.129 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C(C)(C)C)ccc3C)cc2)cc1C 1875184771 PJBWPBNVDSRISX-LFIBNONCSA-N 426.556 7.025 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1 1875191672 YFHUJURQOYANIG-LFIBNONCSA-N 433.375 7.546 30 10 IKEE CN(CC#CCNC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)Cc1ccccc1 1891653509 GGGYBDICZBZLHS-UHFFFAOYSA-N 436.477 5.238 30 10 IKEE CCCCCCC[C@](C)(O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1917173715 HUABBMWAKHAKLP-OZXSUGGESA-N 439.552 5.090 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@](C)(O)c1ccc(OCc2ccccc2)cc1 1922073072 ALUHHXDCCZZUNX-VMPREFPWSA-N 445.603 5.614 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 1944375141 DSMKJLAYOOCYEV-RHGYRFJNSA-N 435.609 5.484 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1991926174 GAFDSKRUZMXPBQ-MSOLQXFVSA-N 435.952 5.373 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 1996779734 QCYDFIYFAHCUEC-KIHHCIJBSA-N 428.617 5.021 30 10 IKEE CCCCCCCC[C@H](N)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997454549 FEIDTKIVMRIGAE-JYFHCDHNSA-N 432.649 5.908 30 10 IKEE CCc1cc(Br)c([C@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)s1 2029268420 SJCRMAKRXAOCMD-HNNXBMFYSA-N 441.416 6.136 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2032216268 HCIXRKXSUOHPSY-OSPHWJPCSA-N 447.551 5.544 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCC1)[C@@]1(C#N)CN(Cc2ccccc2)C2(CCCCC2)C1 2038674429 RYXABJIRIZMTKH-MHZLTWQESA-N 437.628 6.037 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCCN(Cc2ccccc2)C1 2050133246 JFGAIRBCRXAVPY-AREMUKBSSA-N 435.568 5.385 30 10 IKEE C=C1CC(C[C@H](NCCC)C2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)C1 2061665900 VEKJXMYSHXSQGZ-DEOSSOPVSA-N 441.660 5.270 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C12CCCCC2 2072196522 FTMPVDSJBJNBIS-RUZDIDTESA-N 441.572 5.644 30 10 IKEE Cc1ccc([C@@H](C2CC2)n2nc(C(C)(C)C)c(C=NO)c2Br)c(F)c1F 2079937876 CHNFWUGYNLGJOD-MRXNPFEDSA-N 426.305 5.337 30 10 IKEE CCc1nn([C@H](c2ccc(SC)cc2)C2CCC2)c(I)c1C#N 2080102417 SURADJARLOXFMH-KRWDZBQOSA-N 437.350 5.033 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCC(C)(C)C[C@H]2OCc2ccccc2)cc1 2105746489 ASWKPTBJGFABJV-UFHPHHKVSA-N 448.607 6.794 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCC(Nc3ccc(Br)cc3C#N)CC2)C1 2155992548 BASJRQVLGXOIBN-UHFFFAOYSA-N 434.378 5.302 30 10 IKEE Cc1ccc(C[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)cc1 2159882780 OVNBNVVKWXBALG-QFIPXVFZSA-N 429.358 6.024 30 10 IKEE CC(C)(C)OC(=O)N1CCc2cccc(Nc3cc(Br)ccc3C#N)c2C1 2162417480 DQSVNTSYPWTTIX-UHFFFAOYSA-N 428.330 5.358 30 10 IKEE CC1(C)CCC(CNc2ccc(C#N)c(Br)c2)(NC(=O)OC(C)(C)C)CC1 2201480433 NVZJTKSNJNFIFX-UHFFFAOYSA-N 436.394 5.596 30 10 IKEE CC(C)(C)OC(=O)NC1(CNc2cc(Br)ccc2C#N)CCC(F)(F)CC1 2201480776 UOSXSBKCKGYNOE-UHFFFAOYSA-N 444.320 5.205 30 10 IKEE Cc1sc([C@@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)c(C)c1Br 2209011874 CUWXMVKIKXHJJC-MRXNPFEDSA-N 435.387 6.129 30 10 IKEE CCCCCCC[C@@H](N)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229135499 UHPUJGJEZLLCDO-MOPGFXCFSA-N 427.427 5.573 30 10 IKEE C=C1CCC(C[C@@H](N)[C@@H](Cc2ccccc2Br)NC(=O)OC(C)(C)C)CC1 2237426233 DGINILOYYCHEKC-WOJBJXKFSA-N 437.422 5.349 30 10 IKEE C=CCCC1([C@H](N)c2cc(Cl)cc(Br)c2)CN(C(=O)OC(C)(C)C)C1 2255000848 GTMUQXAKCSSZJW-MRXNPFEDSA-N 429.786 5.306 30 10 IKEE CC(C)[C@@H](C)N(Cc1ccccc1)c1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2s1 2264340800 IKUGMAKKDAAYBK-GOSISDBHSA-N 436.430 5.647 30 10 IKEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CN(Cc2ccccc2)C2(CCCC2)C1 2275815531 PAQZNEIAPDYURS-MUUNZHRXSA-N 449.591 5.208 30 10 IKEE C=CCC1(C(=O)c2cc(Br)cc(C(C)(C)C)c2)CN(C(=O)OC(C)(C)C)C1 2288755398 GXKQVFGGCZIWOC-UHFFFAOYSA-N 436.390 5.743 30 10 IKEE CCc1ccc(N=C2SC(=Cc3ccc(OC)c(Br)c3)C(=O)N2C)cc1 2293752404 MKGALFJXTVPANF-UHFFFAOYSA-N 431.355 5.254 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C 2296267100 PISPXZMEFAHLST-OALUTQOASA-N 437.422 5.108 30 10 IKEE CC(=O)c1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 2296348760 BYABYNRGWUNXIM-QFIPXVFZSA-N 431.875 5.169 30 10 IKEE CCc1ccccc1NC=C1C(=O)c2ccccc2N(Cc2ccc(C)cc2)S1(=O)=O 2297375443 IBPARMHKZPYYRG-UHFFFAOYSA-N 432.545 5.044 30 10 IKEE CCCCCCCCC=CCCCCCCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C 2297719553 IPOLTUVFXFHAHI-HSZRJFAPSA-O 426.662 6.117 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1 2314429808 PFPGKLXICUJDQU-UHFFFAOYSA-N 434.491 6.478 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@@H](C#N)[C@@]1(C)CCCCN1C(=O)OC(C)(C)C 2318815827 HRPWNLMSYIPDRY-YADARESESA-N 447.551 5.639 30 10 IKEE Cc1ccccc1COc1ccc(C=Nn2c(C)nnc2SCc2cccc(F)c2)cc1 2321121902 JKVIQPCZAZDSCD-UHFFFAOYSA-N 446.551 5.788 30 10 IKEE Cc1c(OCc2cccc(F)c2)ccc2c1OC(=Cc1ccccc1Br)C2=O 2321888338 KGWXBHWMUVRYOO-UHFFFAOYSA-N 439.280 6.092 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2c(OCc3ccccc3C)ccc3ccccc23)cc1 2322391684 SAKWUZQCEXCKOE-UHFFFAOYSA-N 434.579 7.966 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 2322748360 DZPOAXJVKCUJOY-UHFFFAOYSA-N 435.709 7.261 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2ccccc2OCc2cccc(F)c2)cc1Cl 2322880969 UGRLTZICPJUMPW-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE CCCNC(=O)COc1ccc(Cl)cc1C=CC(=O)c1cc(Cl)cc(C)c1OC 2322931785 YZIUVYDTQDYEGB-UHFFFAOYSA-N 436.335 5.112 30 10 IKEE CCCOc1c(OC)ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)c1Br 2323259246 ASJYLBJPSBBOPI-UHFFFAOYSA-N 431.370 6.376 30 10 IKEE C=CCOc1c(OC)ccc(C=CC(=O)c2cc(C)c(OC)cc2C)c1Br 2323318296 ADYOXQKHCPSTHA-UHFFFAOYSA-N 431.326 5.544 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)cc(C)c3C2=O)cc1 2323327172 GMRHNMMFVRRHTM-UHFFFAOYSA-N 430.887 6.192 30 10 IKEE Cc1ccc(C(C)(C)C)cc1S(=O)(=O)NN=Cc1ccc(OCc2ccccc2)cc1 2323352335 OUVNEFCRTREYKB-UHFFFAOYSA-N 436.577 5.184 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc(F)c2)c([N+](=O)[O-])c1)c1ccc2ccccc2c1 2323400406 HMBNSROLFPFBCZ-UHFFFAOYSA-N 427.431 6.362 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(OC)c2)ccc1OCc1ccc(C)cc1 2323460280 RFFKAVDLWYLDCA-UHFFFAOYSA-N 432.516 5.886 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)ccc1OCC(=O)Nc1ccccc1C 2323647507 QKEHRDIAUGMBHE-UHFFFAOYSA-N 445.515 5.316 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc3ccccc23)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 2323675810 QRXPCGARIUEPMN-UHFFFAOYSA-N 443.886 6.877 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OCC(=O)Nc1cccc(C)c1 2323823771 LHABBUKJTMPYMR-UHFFFAOYSA-N 441.527 5.646 30 10 IKEE Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2C)C3=O)c(C)c1 2324331765 YOUNYXNFHYDOBJ-HXUWFJFHSA-N 441.527 5.942 30 10 IKEE CCc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4C)cc(C)c3C2=O)cc1 2324412964 PNAQJYRSIYSQFM-IBGZPJMESA-N 441.527 5.888 30 10 IKEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(Cl)c(Cl)c3)n2)c(C)c1 2324522118 QWPHFRAXDCYMKH-KRWDZBQOSA-N 427.356 6.623 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O 2325141942 YVLORWMJNVCHIF-FQEVSTJZSA-N 439.511 5.882 30 10 IKEE Cc1cc(OCc2cccc3ccccc23)cc2c1C(=O)C(=Cc1ccc3c(c1)OCO3)O2 2325279340 WMKJUUZKVDUSIX-UHFFFAOYSA-N 436.463 6.072 30 10 IKEE COCC(=O)Oc1cc(C=CC(=O)c2ccc(C(C)C)cc2)c(Br)cc1OC 2325750583 OYPDBSVZBUUOOY-UHFFFAOYSA-N 447.325 5.029 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1cccc(OCC(C)C)c1 2326570084 PEWPDAGIEDYJML-UHFFFAOYSA-N 446.979 5.842 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CCc2ccccc2Cl)nnc1SCC 2327950768 DGXDKWWLKGZBQS-UHFFFAOYSA-N 426.973 5.276 30 10 IKEE CCOc1ccc(Cc2nnc(SCC)n2N=Cc2ccc(N(CC)CC)cc2)cc1 2328566144 FTILJVFYFMEHLO-UHFFFAOYSA-N 437.613 5.108 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3C)n2N=Cc2ccccc2)c(C)c1 2328880193 FNJMKFQTCJQSQR-UHFFFAOYSA-N 442.588 5.957 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1cccnc1 2329510066 YVBXEMLKYYOKDW-UHFFFAOYSA-N 447.995 5.595 30 10 IKEE C=CCSc1nnc(CCc2cccs2)n1N=Cc1ccc(Br)cc1 2329672144 CBNAPRWFPJAYHY-UHFFFAOYSA-N 433.400 5.048 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2cccc(Cl)c2)n1N=Cc1cccnc1 2329777429 AIFGKPNXCKQZBM-UHFFFAOYSA-N 437.931 5.231 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3F)c(OC)c2)cc1C 2330881113 VDXUYGYZXUDEAE-UHFFFAOYSA-N 438.426 5.406 30 10 IKEE Oc1cccc(C=Nn2c(SCc3cccc4ccccc34)nnc2[C@H]2CCCO2)c1 2330979689 OZKMNUGHTNYEGA-JOCHJYFZSA-N 430.533 5.163 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1cccc(Cl)c1 2331345460 MRWOCNQLHYGPRN-UHFFFAOYSA-N 438.882 6.302 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)cc1)c1ccc2c(c1)OCO2 2331434660 JKKCHSZYPUNYKJ-RTWAWAEBSA-N 446.886 5.674 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1ccc(OC)cc1 2331779589 AUVIMHZNMARVPT-UHFFFAOYSA-N 444.527 6.134 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cc(Cl)c(OC(=O)C2CCC2)c(OC)c1 2331871455 PFYZPTHDYMINTA-UHFFFAOYSA-N 435.303 5.612 30 10 IKEE CC1(C)CN(Cc2ccccc2)CC[C@@H]1Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2365061069 PBFLZYWDMRYHIJ-INJZMFEXSA-N 447.432 5.439 30 10 IKEE COc1ncc(Br)c(C)c1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2368191647 VJYHYPGVICLBRT-MRXNPFEDSA-N 432.318 5.168 30 10 IKEE Cc1ccc(/N=C2\NC(=S)N(c3ccccc3Cl)C23CCC(C(C)(C)C)CC3)cc1 27471971 CWFRNJGNMWYDIU-UHFFFAOYSA-N 440.056 7.048 30 10 IKEE CCCCSc1nnc2c(n1)O[C@H](c1ccccc1C#N)N(C(=O)CC)c1ccccc1-2 32997100 HNKVCEJYWCIEKT-HSZRJFAPSA-N 445.548 5.137 30 10 IKEE N#Cc1c(/C=C\c2ccccc2F)nc2c(c1-c1ccc3c(c1)OCO3)C(=O)c1ccccc1-2 34877587 ZNUCKXWUCRGMHX-LUAWRHEFSA-N 446.437 5.870 30 10 IKEE C=CCC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)CC1CC1 36342120 CSEMQFDYTRFVLU-XMMPIXPASA-N 449.570 5.651 30 10 IKEE C=CCn1c(SCc2ccc(C(=O)N[C@@H](C)CC)cc2)nnc1-c1ccccc1Cl 37398173 CQIRTIWPQCPQCF-INIZCTEOSA-N 441.000 5.605 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2Cl)Oc2cc(OCc3ccc(F)cc3Cl)ccc21 38321036 DLNKDQSEYZOTAN-YXSASFKJSA-N 449.692 6.981 30 10 IKEE C=CCc1ccc(OCCCCn2c(-c3ccccc3C)nc3ccccc32)c(OC)c1 40239543 GKETVXAJVVGBQY-UHFFFAOYSA-N 426.560 6.608 30 10 IKEE CCCCCCCCCCCCCCCCOC(=S)NC[C@@H]1CCS(=O)(=O)C1 59568437 JOPNLECKISKIEQ-NRFANRHFSA-N 433.724 5.794 30 10 IKEE CCCCCCCC(=O)NCc1cccc(-c2ncc(-c3cc(OC)ccc3OC)[nH]2)c1 97940608 ZUOBDOIIQAWHIA-UHFFFAOYSA-N 435.568 5.738 30 10 IKEE biogenic CCCCCCCCCCCCCCCCCCCCCC(=O)NCCCCCCC 100461944 SENWWZGFHRJZEY-UHFFFAOYSA-N 437.797 9.895 30 10 IKEE CCCCCCCCOc1ccc(OCC(=O)OCCOc2ccc([N+](=O)[O-])cc2)cc1 100972646 SSRUYDDVSAFAGK-UHFFFAOYSA-N 445.512 5.335 30 10 IKEE CCCCCCCCCCCCCCCCn1c([C@H](C)NC(C)=O)nc2ccccc21 102116700 OKXZPLONGICEIG-QHCPKHFHSA-N 427.677 7.715 30 10 IKEE CCCCCCCCCCn1c([C@H]2CC(=O)N(c3cc(C)ccc3C)C2)nc2ccccc21 102200993 TWBDABDIJNTSTH-DEOSSOPVSA-N 445.651 7.314 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2cccs2)cc1 169921264 BCOQJLUMDXGFHN-QFIPXVFZSA-N 433.529 5.152 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(N(C)C)cc2)c1 169956905 WJEJWGYCLIYECY-XMMPIXPASA-N 432.564 5.280 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccc(O)cc2)c1 169964972 UCNRWWSVTQJADZ-XMMPIXPASA-N 445.490 5.235 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C(C)C)cc2)c1 169967637 RKERTUIVBURKRE-DEOSSOPVSA-N 445.946 6.555 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccccc2)cc1 170055162 TVVSFAWIPVCIDQ-DEOSSOPVSA-N 429.491 5.209 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(F)cc1 170065369 KIRZUPFHVKQTBV-QHCPKHFHSA-N 449.453 5.060 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2sccc2C)cc1 170105951 PVYZEFBVSNJXDM-OAQYLSRUSA-N 449.528 5.165 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@@H]1c1ccccc1OC 170125502 LBHYDRMROYSHFE-NRFANRHFSA-N 443.927 5.126 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2ccccc2O)c1 170141425 HYYBRFVWYJRDQZ-RUZDIDTESA-N 435.479 5.637 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc(OC(C)C)c1 170153498 WBJOBGVXQMSGQZ-XMMPIXPASA-N 429.516 5.615 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2cccs2)c1C 170158928 NPSCREJFJWXVBW-DEOSSOPVSA-N 439.536 6.301 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2cccs2)c1 170160416 MWHQXIPVCKSVQV-QFIPXVFZSA-N 449.528 5.332 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1cccs1 170165790 JYSFICPNATYEQH-LJQANCHMSA-N 429.925 5.916 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccncc1 170206312 PKQAQPHRMBYKFL-HXUWFJFHSA-N 439.298 5.480 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2)c1 170221818 STDNQLBWIVWVPX-HXUWFJFHSA-N 439.920 5.189 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccccc2)ccc1Cl 170225061 DIPFTOPCEQNUJG-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(F)cc2)c1 170238874 OZSUCXXEGNXQLN-QHCPKHFHSA-N 427.431 5.663 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccc(F)cc2)c1 170238902 RALIOKRRIIEONF-RUZDIDTESA-N 437.470 6.070 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@H]1c1ccc(C(C)C)cc1 170245806 BBVPMWVDYNQYLB-XMMPIXPASA-N 449.591 6.204 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)c(Cl)cc2OC)[C@H]1c1ccccc1C 170276659 DRYFCYIOYXZAKU-OAQYLSRUSA-N 443.927 5.044 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC(C)C)c3)[C@H]2c2ccco2)c1 170282568 WZUXSIOOOUUIHZ-XMMPIXPASA-N 445.515 5.714 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccco2)c1 170286513 AHBJWRUBCVGDLS-NRFANRHFSA-N 437.879 5.505 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1Cc1cccs1 170312444 FGOTUYTUAKWFMQ-LJQANCHMSA-N 434.542 5.378 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1c1cccc(F)c1 170313686 NDQGVJOFXAVGDL-JOCHJYFZSA-N 443.499 6.132 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2sccc2C)cc1C 170315041 CKQPOHLAPBLBLJ-OAQYLSRUSA-N 433.529 5.465 30 10 IKEE C=CCOc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCCC)c1 170324108 NQVCFJVAVVSKGY-NRFANRHFSA-N 425.912 5.283 30 10 IKEE C=C(C)CCSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 229756631 NOVXKCWZUHVLRR-QFIPXVFZSA-N 425.550 5.068 30 10 IKEE CSc1nc(Nc2cccc(C(=O)OC(C)C)c2)c(C#N)c(-c2cccc(Cl)c2)n1 240620737 ACBHJYSPLFFYTP-UHFFFAOYSA-N 438.940 5.699 30 10 IKEE CSc1nc(Nc2ccc(OC(F)(F)F)cc2)c(C#N)c(-c2cccc(Cl)c2)n1 244226840 WDDIQQLICFPTOB-UHFFFAOYSA-N 436.846 6.033 30 10 IKEE Cc1cccc(C)c1N=C1S/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1 252590207 ARBUPTTYLSOIQS-AQAUNXFGSA-N 429.501 6.020 30 10 IKEE Cc1ccc(N=C2S/C(=C/c3ccc(C(C)C)cc3)C(=O)N2c2ccc(C)cc2)cc1 252638032 XYYLBIODGXJWHQ-UYJNXHFOSA-N 426.585 7.235 30 10 IKEE Cc1ccc2oc(-c3cccc(N=Cc4cc5c(cc4Br)OCO5)c3C)nc2c1 252638402 YCAWLUWDXCXSTB-UHFFFAOYSA-N 449.304 6.353 30 10 IKEE COc1cccc(/C=C2/SC(=Nc3ccccc3)N(Cc3ccc(C(=O)O)cc3)C2=O)c1 254292135 QMVYJJUAUVALBU-XKEFNESHSA-N 444.512 5.198 30 10 IKEE Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(N=Cc3c(Cl)cccc3Cl)cc1)N2 254393288 CWPKVJRKDYJFFN-XMERXJNXSA-N 433.382 7.879 30 10 IKEE Cc1ccc(/C=C2\SC(=Nc3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)s1 254849136 PGYRRRXXHPHWPZ-YOIRLTMBSA-N 443.597 6.385 30 10 IKEE N#Cc1c(-c2ccccc2)c(-c2ccccc2)n(Cc2ccco2)c1N=CN1CCCCCC1 254862426 SQCNKEDYQDNTNZ-UHFFFAOYSA-N 448.570 6.871 30 10 IKEE CCCCCCCO[C@@H]1[C@H](OCc2ccccc2)C[C@@H](O)[C@H]1N(C)CCCCCCC 256515400 ZXVORAHNQMMMDB-FPCALVHFSA-N 433.677 5.963 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccc(OC)c2)c1 526487089 USXCHLHQUCLRHZ-VWLOTQADSA-N 440.499 5.413 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(OC)cc2)cc1 526602921 CRFRAPNNZDRRCV-DEOSSOPVSA-N 426.472 5.023 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1ccc(C(F)(F)F)cc1 526805866 UOSVDIRSUMDYDB-WGARJPEWSA-N 432.515 6.122 30 10 IKEE CCCOc1ccc(/C=N\n2c(CC)nnc2SCc2cc(C)cc(C)c2)cc1OC 526810054 VEQBDQPMRAOKMY-MYYYXRDXSA-N 438.597 5.429 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1ccc(O)c(Cl)c1 526822230 HKLWAIJKQLFBGQ-CFRMEGHHSA-N 425.945 5.026 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(CC#N)c2ccc(OCC)c(OCC)c2)cc1 586236257 MJAFWJMOSBWAGY-UHFFFAOYSA-N 444.597 5.326 30 10 IKEE CCOc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2ccc(F)c(Cl)c2)cc1 586252871 BXRVNNBWXFMTSP-UHFFFAOYSA-N 444.915 5.145 30 10 IKEE N#Cc1ccc(NC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1 586744652 YWRJHRRPSNRTBP-UHFFFAOYSA-N 426.479 6.088 30 10 IKEE COc1ccc(Br)cc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1C 698476687 NQGDDRJXSRHVSO-GOSISDBHSA-N 431.330 5.773 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 698482792 GMDLXUNDTNBFCZ-MHECFPHRSA-N 429.561 5.276 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1ccc(Cl)c(F)c1 698489090 NXNOGOSXBQDLHI-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE C[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)CN1Cc1ccccc1 698947486 UXAVBPUEUGBGAC-MHECFPHRSA-N 425.960 5.638 30 10 IKEE CCCCCCC[C@H](NCCC)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 702510699 OGLCUOIRCIVCMM-BJKOFHAPSA-N 433.681 5.740 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCC[C@H](NC(=O)OC(C)(C)C)C2)c1 724025785 FIALLPDXEVPKFZ-BXKMTCNYSA-N 445.560 5.166 30 10 IKEE C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccccc1SCc1ccc(C#N)cc1 826779500 UTHMSKRVPKACDX-QGZVFWFLSA-N 443.597 6.293 30 10 IKEE O=C1/C(=C\c2ccc(N3CCCC3)o2)SC(=Nc2ccccc2)N1Cc1ccccc1 1084110659 ZSAKKLPUNVREFP-FLDUPFSJSA-N 429.545 5.684 30 10 IKEE COc1ccc(-c2c(-c3ccccc3)oc(N=Cc3cc([N+](=O)[O-])ccc3C)c2C#N)cc1 1084331484 WDJDPJCHKJVNEA-UHFFFAOYSA-N 437.455 6.461 30 10 IKEE C/C(=C/c1ccccc1)C(=O)Nc1cc(Cl)c([C@@H](C#N)c2ccc(Cl)cc2)cc1C 1084331510 IITAYKOUJYEQQQ-SJAXDAAESA-N 435.354 6.999 30 10 IKEE O=C1/C(=C\c2ccc(Br)o2)SC(=Nc2ccccc2)N1C1CCCCC1 1084370099 ZCWDKFBPYYYJMF-GGYXWTDNSA-N 431.355 5.979 30 10 IKEE N[C@H]1CCCC[C@@H]1N/C(=N/C1CCCC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1088684458 XWJVIFPXSYRCGC-IRXDYDNUSA-N 436.444 5.294 30 10 IKEE N#Cc1cnc(-c2c(F)c(F)c(F)c(F)c2F)c(-c2c(F)c(F)c(F)c(F)c2F)c1 1848358656 SHCDADITRZMYRO-UHFFFAOYSA-N 436.208 5.678 30 10 IKEE COc1ccc(-n2cc(/C=N\NC(=S)Nc3ccc(F)cc3)c(-c3ccccc3)n2)cc1 1857809053 NMKMKOOPKRFNES-YSMPRRRNSA-N 445.523 5.008 30 10 IKEE N#C[C@H](c1cccs1)N1CCC(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 1858106821 KSQZNXBFMMVXLW-MRXNPFEDSA-N 427.879 5.336 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CC(C)C)NC(=O)Cc1cc(Cl)ccc1SC 1860976639 PMGRWDUOVSXEDT-HXUWFJFHSA-N 441.081 5.612 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)/C=C/c1ccc(C)cc1)c1ccccc1 1861096822 SOYYJFZCTXBLDU-DBVVVMIYSA-N 434.624 6.123 30 10 IKEE CCCCCCCCNC(=O)[C@@H](NC(=O)c1cccc(Br)c1)c1ccccc1 1861333352 NFHJLNUTHFWKAC-NRFANRHFSA-N 445.401 5.397 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc2nc(-c3cccc(OC)c3OC)[nH]c2c1 1861872777 USRAYJLVRBSKMR-UHFFFAOYSA-N 437.584 6.118 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(C(C)(C)C)cc2)n(Cc2cccc(F)c2)n1 1862366881 UGVTUYLOSVQCJJ-UHFFFAOYSA-N 431.555 5.849 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc2cc[nH]c2c1 1862380361 AQGJHURXNQECIZ-LJQANCHMSA-N 427.287 5.239 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(C(C)(C)C)cc1 1862381942 CFZASVPEMMFYNK-FQEVSTJZSA-N 446.374 6.278 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2F)cc1 1862391251 WMIGETXDZSZIEE-QHCPKHFHSA-N 449.547 6.008 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccccc1C 1862400894 PAWKLJWIKRNIRE-BWKNWUBXSA-N 449.591 6.249 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@H]2c2ccc(F)cc2)c1 1862430794 SCGDVQLPTONBQJ-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc(Cl)c1 1862432990 ROMQSWQIBBWOJU-XWRIVVANSA-N 444.358 6.150 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(OC)cc1 1862444815 HZKBVJAFDMLQHQ-OAQYLSRUSA-N 427.928 5.507 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1cccc2ccccc12)c1ccc(Br)cc1 1862471236 HBTUCASFSVLCHA-NRFANRHFSA-N 448.316 5.343 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862489255 SWLUHCRDRSNNKZ-VWLOTQADSA-N 443.518 5.783 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2cccc(Cl)c2)ccc1F 1862502797 JDVBFGQPHQEBEO-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2cccc3ccccc23)ccc1F 1862504706 ALDKAAKRJJLGPS-DEOSSOPVSA-N 447.506 5.028 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccccc1Br 1862513107 YLFALPCMXGOZNM-DJJJIMSYSA-N 446.316 5.273 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2CCCC)cc1 1862538145 IQYHEIJAGMAAII-XMMPIXPASA-N 435.564 5.806 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)c1 1862543204 AOUZWEJLKWMKHS-GJQIQAERSA-N 443.587 6.031 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(CC)cc1 1862548059 JKIYQFXCNZGKHW-SANMLTNESA-N 445.603 6.286 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(N)c2)=C(O)C(=O)N1CCc1ccc(Cl)cc1 1862555626 XWFCPAYXHQTXQW-QHCPKHFHSA-N 446.934 5.052 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(C(=O)OC)cc1 1862620725 YXZQSFLZOYRDBS-QFIPXVFZSA-N 449.547 5.149 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(OC)c(O)c1 1862666210 YOJPRWAQDWKSQM-HSZRJFAPSA-N 437.536 5.293 30 10 IKEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc(Cl)c1 1862712089 JGDKQHWRAMLXJT-QHCPKHFHSA-N 448.950 5.023 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(F)cc1F 1862712391 PXLBCZALGGZGNX-QHCPKHFHSA-N 435.470 5.742 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 1862740449 DFDRMTRIKZPWNO-OAQYLSRUSA-N 448.862 5.027 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(OCC)cc2)C1=O 1863210713 KVAOZIWTRUGUGE-QFIPXVFZSA-N 445.563 5.508 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2c[nH]c3ccccc23)C1=O 1863493393 OOKKBHSZQCNTNX-UHFFFAOYSA-N 440.547 5.592 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)[C@H](C)Oc2ccccc2C(C)C)c1 1865930469 LAVMRWYRNCOQJD-IBGZPJMESA-N 426.516 5.627 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(CCC(=O)O)cn1 1866032792 XOZQERQIPCPDPR-UHFFFAOYSA-N 432.649 7.299 30 10 IKEE CCCCCCCCC(=O)N1CC(Oc2ccc(C(=O)Nc3ccc(OC)cc3)cc2)C1 1869904134 RAOWBRNKQXPIHH-UHFFFAOYSA-N 438.568 5.288 30 10 IKEE C=CCn1cc(OCCCCOc2ccc(C)cc2)c(=O)cc1CN1C[C@@H](C)C[C@@H](C)C1 1870319264 DCZQKFCUOIUMDE-ZRZAMGCNSA-N 438.612 5.059 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCCc2ccccc2)cn1CCc1ccccc1 1870687088 XXXKUINVNPMOOE-UHFFFAOYSA-N 442.603 5.277 30 10 IKEE CCCCCCCCCCn1cc(OCC)c(=O)cc1CNc1ccc(OC)cc1C 1870784773 DGSDJBFHHPNOED-UHFFFAOYSA-N 428.617 6.317 30 10 IKEE C=CCOc1cn(CCCCCCCC)c(CNc2cccc(C(F)(F)F)c2)cc1=O 1870811478 BGOLQSVMVAAJDP-UHFFFAOYSA-N 436.518 6.405 30 10 IKEE C=CCOc1cn(CCCCCO)c(CNc2cc(C(C)C)cc(C(C)C)c2)cc1=O 1870812989 QXNFZXLYDBEUHE-UHFFFAOYSA-N 426.601 5.435 30 10 IKEE CCCCCCCOc1cn(CCCCCO)c(CNc2ccc(C)c(Cl)c2)cc1=O 1870838216 UJJKPSANPNLWMV-UHFFFAOYSA-N 449.035 5.934 30 10 IKEE CCCCC[C@@H](CC)N1COc2c(cc3c(c2C)O/C(=C\c2ccc4c(c2)OCO4)C3=O)C1 1871353024 AAHBPPKJTHZNDZ-AYUJEJKZSA-N 449.547 5.851 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)CCc4ccc(C)cc4)ccc3C2=O)cc1OC 1871366651 KSPDWSCSCJXSLO-MYYYXRDXSA-N 444.483 5.167 30 10 IKEE Cc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2cn(C)c4ccccc24)C3=O)cc1 1871366760 KQKJHFQPAXNELC-LGLVZHBUSA-N 435.479 5.722 30 10 IKEE CCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2sccc2C)C3=O)cc1 1871379375 DSQPRPDVNNHJGY-CNYFCZIJSA-N 432.497 5.690 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871389592 DQPNSZDTMAGHAC-HAHDFKILSA-N 446.886 6.049 30 10 IKEE Cc1cccc(OCCCOc2cc(C)c3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)c1 1871407229 ZMQUWOBKLAGWEK-IWIPYMOSSA-N 445.471 5.676 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871408072 TVRPYTPNBMZOMJ-VRHSPDTKSA-N 449.890 5.371 30 10 IKEE COc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O 1871411258 HISKMBAOGDYCSW-VRHSPDTKSA-N 449.890 5.371 30 10 IKEE Cc1cccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2F)C3=O)c1C 1871413334 DODBRTRDCOLPKJ-DNNAEVNTSA-N 445.490 5.773 30 10 IKEE Cc1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccccc2)C3=O)c1C 1871414710 XGDHPFUPFCJATN-YPFLROGLSA-N 427.500 5.634 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1cccs1 1871801334 ICZCCTPWVQKROI-SFHVURJKSA-N 441.018 5.084 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 1871836546 VTHNHKQBWREOBQ-DEOSSOPVSA-N 442.625 5.493 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(CC)cc1)[C@@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872098688 PBDMRMFZFYKRCD-YADARESESA-N 442.625 5.096 30 10 IKEE C=CCN([C@@H](C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)c1ccccc1)S(=O)(=O)CC 1872338723 NSIPKZBTMKAICI-XMMPIXPASA-N 442.625 5.451 30 10 IKEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(Cl)cc3Cl)n2)c(C)c1 1872769011 HCMYDNGIUJNYLM-MOTZXUDYSA-N 427.356 6.623 30 10 IKEE Cc1ccc(C)c(-c2csc([C@H](C#N)C(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)c1 1872773122 WPWFPEKSPWYEHZ-MRXNPFEDSA-N 436.449 5.042 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)c3cccc(NC(C)=O)c3)n2)cc1C(C)C 1872780056 YNAZESLCHHXKEN-OAQYLSRUSA-N 447.560 5.699 30 10 IKEE COc1cc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(F)cc3)n2)c(OC)cc1Cl 1872781879 ZNDZQUOHEMXBOT-HNNXBMFYSA-N 430.888 5.039 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(OC)cc3)n2)c(OCC)c1 1872783907 LCRBZEZVRYLXBE-HXUWFJFHSA-N 436.533 5.035 30 10 IKEE Cc1cc(C)c(-c2csc([C@H](C#N)C(=O)COc3cc(C)c(Cl)c(C)c3)n2)c(C)c1 1872786495 LXCCBKKTHWHHFK-LJQANCHMSA-N 438.980 6.261 30 10 IKEE Cc1nc(SCc2ccc(C(=O)Nc3ccc4nc[nH]c4c3)cc2)c(C#N)c(C)c1C 1872895327 OLYQERXYKBIMEH-UHFFFAOYSA-N 427.533 5.299 30 10 IKEE CC(C)(C)c1ccc(/C=N/Nc2cnn(-c3ccc(Cl)c(Cl)c3)c(=O)c2Cl)cc1 1873529164 OFWWFAOJAXHGIA-OPEKNORGSA-N 449.769 5.936 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C(C)(C)C)c2)cc2c(NCc3ccncc3)ncnc21 1873618164 BAXOQUVMMLDXOC-UHFFFAOYSA-N 440.551 5.174 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc(F)cc1F 1874279107 UMEYFQFIXOETLV-BRJLIKDPSA-N 432.927 5.545 30 10 IKEE Cc1ccccc1/C=N/n1c(CCCOc2ccccc2)nnc1SCc1ccccc1 1874315648 CTZAFONOKZQQSZ-ZXVVBBHZSA-N 442.588 5.773 30 10 IKEE CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874391399 FXKBXUFGGUKLQJ-OJWZXOLNSA-N 428.561 5.613 30 10 IKEE Cc1ccsc1/C=N/n1c(SCc2cccc3ccccc23)nnc1-c1cccs1 1874423788 FLJRSKQUFIFMFX-ZVHZXABRSA-N 446.626 6.704 30 10 IKEE FC(F)(F)c1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccccc1 1874463059 REMIHCGGAPVZDE-NUGSKGIGSA-N 431.270 5.778 30 10 IKEE Clc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2-c2ccco2)cc1Cl 1874467150 UEMDPXPEVBXFOV-ZVHZXABRSA-N 443.359 6.062 30 10 IKEE Fc1cccc(CSc2nnc(C3CCC3)n2/N=C/c2cccc(Br)c2)c1 1874494458 NEPHDKFMPRLDTG-FSJBWODESA-N 445.361 5.622 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874503391 FPTHRDSXCOHZTM-FSJBWODESA-N 430.961 5.081 30 10 IKEE COCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc(Cl)cc1 1874506032 KTYZXVWIHNZBMS-LSFURLLWSA-N 441.771 5.559 30 10 IKEE Cc1ccccc1NC(=O)CSc1nnc(C(C)C)n1/N=C/c1cccc2ccccc12 1874512016 HJPGFHUVSHLOTM-CVKSISIWSA-N 443.576 5.476 30 10 IKEE Oc1ccc(Cl)cc1/C=N/n1c(SCc2cccc3ccccc23)nnc1C1CC1 1874520998 VWUMXDDFILJXQA-DHRITJCHSA-N 434.952 5.842 30 10 IKEE CCCOc1ccccc1/C=N/n1c(C)nnc1SCc1ccc(Cl)c(Cl)c1 1874535828 YMWDARPBFFYWJR-FSJBWODESA-N 435.380 5.857 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 1874583519 RNTCXRVWJPDEBM-WYMLVPIESA-N 425.355 7.592 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3cc(C)cc(C)c3)c2)cc1 1874593970 KVJRHMVUGAEFOZ-XYOKQWHBSA-N 443.543 5.788 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)cc2)c1 1874603724 BNCDEHNYVILJHD-LFIBNONCSA-N 425.528 5.787 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)c1 1874605427 ONQHRJCNZMTCKG-WEVVVXLNSA-N 447.745 7.131 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)c(C)c1 1874615439 YLBOEMJOSYQMLJ-WEVVVXLNSA-N 445.773 7.739 30 10 IKEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc1Cl 1874624673 PLHAOLUYELVZAO-JXMROGBWSA-N 444.955 5.874 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OC(=O)Cc1ccc(C)c(C)c1 1874697238 QEKQEDUPHYTIIM-ZRDIBKRKSA-N 434.919 6.010 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OC(=O)Cc1ccccc1Cl 1874716456 SPZAEMZSILPMTC-PKNBQFBNSA-N 448.946 6.318 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)Cc1ccccc1 1875105687 HHQSVAAGYQKPFT-YRNVUSSQSA-N 441.310 6.046 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc([N+](=O)[O-])c1OC(=O)c1ccc(OC)cc1 1875126967 IPSNSMXFEIDKQN-NTEUORMPSA-N 447.443 5.117 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1Cl 1875131969 XYYZLSYZNBGBHJ-NTCAYCPXSA-N 426.984 7.509 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)Cc1ccccc1 1875137804 FRCFWFRXGICGTA-VAWYXSNFSA-N 434.919 6.010 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)CCCOc1ccccc1 1875142541 IELSLOFBHBOUOR-GXDHUFHOSA-N 448.490 5.803 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 1875144037 CJHRBCIAEJYLCG-PKNBQFBNSA-N 447.443 5.036 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 1875161145 AWZBQPKRBSJYQY-RVDMUPIBSA-N 448.946 6.761 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C(C)(C)C)ccc3C)cc2)cc1 1875184623 IYGWCXAUQZJQKP-LDADJPATSA-N 426.556 6.970 30 10 IKEE CCN(CC)CC#CCNC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 1891786442 WIPPHNSMHUOKHF-UHFFFAOYSA-N 448.570 5.039 30 10 IKEE C[C@@H](c1cccs1)N(Cc1ccccc1)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 1915407331 NDCLSVNSQRKPOR-FQEVSTJZSA-N 433.426 5.811 30 10 IKEE C=C(COCc1ccccc1)[C@@H](O)c1cc(Cl)c(NC(=O)OC(C)(C)C)c(Cl)c1 1922071368 JYKJSCKJGXUBGB-HXUWFJFHSA-N 438.351 6.147 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CC[C@@H]2NC(=O)OCc2ccccc2)cc1 1959030070 JLEZZFOBLBYNDS-OFVILXPXSA-N 435.524 5.088 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C12CCC2 2015371884 HFDGEOGTLRINAZ-HSZRJFAPSA-N 431.508 5.003 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CCC2 2037014684 DNUYNHRJTPHRKS-DPZBCOQUSA-N 442.644 5.697 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)C1(C#N)[C@H]2CC[C@H]1CN(Cc1ccccc1)C2 2037935126 JMTKYIZTEUBMNT-SFTDATJTSA-N 435.543 5.372 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCN(Cc3ccccc3)CC2)c1 2042390174 CWVVVGVKCIAUPJ-AREMUKBSSA-N 435.568 5.385 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(C)C 2051305461 KGXCXPLWCNOGLO-DSITVLBTSA-N 444.660 5.657 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1N(Cc1ccccc1)[C@@H](C)c1cccs1 2052559217 ZEPWBJOBVZKQMA-IBGZPJMESA-N 434.414 5.519 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OS(=O)(=O)c3c(C)cc(C)cc3C)cc2)cc1 2053487759 YCYQULDYTBVOSU-UHFFFAOYSA-N 436.529 5.284 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCC23CC(NC(=O)OC(C)(C)C)C3)cc1 2064202341 INHCROHDMXOWEK-VHNLKAGOSA-N 441.572 5.466 30 10 IKEE CCOC(=O)c1c(C(F)(F)F)nn([C@H](CC)c2ccc(C(F)(F)F)cc2F)c1Cl 2079971160 CHZCJIWAWKCXDZ-LLVKDONJSA-N 446.750 5.889 30 10 IKEE CC[C@@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C2(C)CC2)c(C#N)c1Br 2080024141 HSPDKEUAORJVGN-AWEZNQCLSA-N 430.243 5.726 30 10 IKEE COc1c2c(nc3c(-c4ccc(F)cc4C(F)(F)F)c(C(F)(F)F)nn13)CCCC2 2081158852 LWGUADHMSOBBMP-UHFFFAOYSA-N 433.327 5.460 30 10 IKEE Fc1ccc(-c2c(C(F)(F)F)nn3c(Cl)c4c(nc23)CCCC4)cc1C(F)(F)F 2081251399 UAVLZZYPTGHUJL-UHFFFAOYSA-N 437.746 6.105 30 10 IKEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1c(C)sc(C)c1Br 2092953524 PYCAWGLWFRPJDA-HNNXBMFYSA-N 444.439 5.271 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CC[C@@H](P(C)(C)=O)C1 2104502584 XXKRWMNDDRWIRF-AUUYWEPGSA-N 441.306 5.628 30 10 IKEE C=CCC1([C@@H](Cc2cc(Cl)cc(Br)c2)NC)CN(C(=O)OC(C)(C)C)C1 2110498137 OAVXUUFJPVRAKW-QGZVFWFLSA-N 443.813 5.046 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccc(C#N)c(Br)c2F)C1(C)C 2138961453 PCXZIFBOLHISQY-CQSZACIVSA-N 426.330 5.050 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(Nc2ccc(Br)cc2)C(F)(F)CC1 2196981314 YATLMXVJPCVBOL-SFHVURJKSA-N 444.320 5.180 30 10 IKEE CCc1ccc(C#N)c(Nc2ccc(Br)cc2I)c1 2231656908 RXMJAHGWTPJBHO-UHFFFAOYSA-N 427.083 5.231 30 10 IKEE CCCCCCCC[C@H](C)Nc1ccc(I)c(Br)c1 2231923787 NHBVLUQSTCJMHH-ZDUSSCGKSA-N 438.191 6.605 30 10 IKEE CC1(C)OB(C2=CCN(Cc3c(Br)sc4ccccc34)CC2)OC1(C)C 2233007043 WDSPTNCXKQTBIG-UHFFFAOYSA-N 434.208 5.427 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)[C@H](CC(C)C)NC(=O)OC(C)(C)C 2235718349 LNWGXJCQFANCCP-PMACEKPBSA-N 437.422 5.108 30 10 IKEE C=C(C)CCCC[C@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 2250180793 FFZZZOHJSMDGTB-RPWUZVMVSA-N 432.649 5.991 30 10 IKEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2255917366 AQKSVVBZPUZSSQ-NBGIEHNGSA-N 443.588 5.603 30 10 IKEE C=CCCC1([C@@H](O)c2cccc(Cl)c2Br)CN(C(=O)OC(C)(C)C)C1 2259404682 JRXOHRRQOYMYKQ-INIZCTEOSA-N 430.770 5.339 30 10 IKEE Cc1cc(C(=O)N(Cc2ccccc2)[C@H](C)C2CC2)cc(C)c1B1OC(C)(C)C(C)(C)O1 2267107438 NTSQSYQHGWCZJB-HXUWFJFHSA-N 433.401 5.044 30 10 IKEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)cc(C(C)C)c1 2280716891 AUCZHTZSCMHNSV-PMACEKPBSA-N 437.422 5.530 30 10 IKEE Cc1cc(F)c([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)c(F)c1 2283414744 RXNRVDJHGYWBOP-KRWDZBQOSA-N 437.284 6.042 30 10 IKEE COc1ccc(C=C(C(=O)c2ccc(OC(C)C)cc2)c2nc3ccccc3o2)cc1OC 2296696640 CZRLFMHIINUUNG-UHFFFAOYSA-N 443.499 6.056 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@H](C#N)C12CC(CCN1C(=O)OC(C)(C)C)C2 2302508262 CKDWSOUWJCZZDS-BISSLNBESA-N 447.601 5.167 30 10 IKEE CC1(C)[C@@H](C(=O)Nc2ccccc2N=CC=Cc2ccc([N+](=O)[O-])cc2)CC[C@@]1(C)C(=O)O 2313652958 SQGJAJWFORJZOI-CLOONOSVSA-N 449.507 5.476 30 10 IKEE O=C(C=Cc1ccccc1Cl)c1ccc(OC(=O)c2ccccc2Br)cc1 2314429696 MMTHWRKZKKLYPR-UHFFFAOYSA-N 441.708 6.218 30 10 IKEE COc1ccc(C(C)=C2SC(=Nc3ccncc3Cl)N(c3ccccc3)C2=O)cc1 2314542805 OYOIHYUKWRDZTF-UHFFFAOYSA-N 435.936 5.942 30 10 IKEE CCSc1nncn1N=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2321268052 XZYPWXRBGXEDFT-UHFFFAOYSA-N 444.560 5.430 30 10 IKEE O=C1C(=CC=Cc2ccccc2)Oc2c1ccc1c2CN(Cc2ccccc2Cl)CO1 2321958435 XNGHVVNIZJCDGY-UHFFFAOYSA-N 429.903 5.865 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3c(ccc4c3CN(Cc3ccccc3)CO4)C2=O)cc1 2321978894 XQYCLOLKPGXELS-UHFFFAOYSA-N 425.528 5.952 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O3)CN(CCC(C)C)CO2 2322236309 FWSRQHBPKBVUTI-UHFFFAOYSA-N 432.347 6.116 30 10 IKEE Sc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1cccc2ccccc12 2322274112 HLOMCPVMMCKVSW-UHFFFAOYSA-N 438.556 5.767 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(Cl)cc1)C3=O)CN(Cc1ccc(F)cc1)CO2 2322348122 GRVGJFCHWCCZOX-UHFFFAOYSA-N 435.882 5.756 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)c4cc5cc(Cl)ccc5o4)cc(C)c3C2=O)c1 2322846721 JZJJVCLEKQFISA-UHFFFAOYSA-N 444.870 6.538 30 10 IKEE CCOc1cc(C=NNc2ccccn2)ccc1OCc1ccc(Br)cc1 2322930468 QAMKKWFLMZNTTP-UHFFFAOYSA-N 426.314 5.268 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1cccc(OCc2cccc(C)c2)c1 2323258969 KGTSWTKOCWUVBZ-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2F)C3=O)cc1 2323371209 NFPCYWROYVLNEJ-UHFFFAOYSA-N 432.447 5.297 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)C=Cc1ccccc1Cl 2323375215 FIATYLSQEXVPRP-HSZRJFAPSA-N 435.052 6.285 30 10 IKEE CCCOC(=O)COc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1OCC 2323594717 BDKSGEUCPHHRMM-UHFFFAOYSA-N 447.325 5.076 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1ccc([N+](=O)[O-])cc1 2323674851 HVXDOEZGQFJZJM-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE Cc1cc(OC(=O)c2ccc(-n3cccc3)cc2)cc2c1C(=O)C(=Cc1cccs1)O2 2323675651 GMJMHTXWXJZEPV-UHFFFAOYSA-N 427.481 5.683 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1 2323900561 FKCJXEQKSNQBLC-UHFFFAOYSA-N 441.752 6.886 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OCc1cc(C)ccc1C 2324190752 GPHCTNUKEGVESR-UHFFFAOYSA-N 438.926 6.970 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 2324357027 JPLNSPATYQEKOX-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE COc1ccccc1C=C1Oc2cc(OCCCCOc3ccc(C)cc3)cc(C)c2C1=O 2324588694 HGXOKNIHKWVFLT-UHFFFAOYSA-N 444.527 6.166 30 10 IKEE CCCCCOc1ccc(C=Nn2c(C)nnc2SCc2ccccc2F)cc1OC 2325630776 FQWNGLAWGFQHHN-UHFFFAOYSA-N 442.560 5.478 30 10 IKEE CCc1ccccc1OCC(=O)Oc1cccc(C=CC(=O)c2cccc3ccccc23)c1 2325750052 HOOHWNFQRNBZPY-UHFFFAOYSA-N 436.507 6.283 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2cccc(OC(=O)c3cc(C)cc(C)c3)c2)c1 2325758302 IRPPPYZKZYZBSH-UHFFFAOYSA-N 444.527 6.216 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OC(=O)Cc1ccc(C)cc1 2325764150 LSVGGNPAYXYBBT-UHFFFAOYSA-N 428.528 5.973 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1cccs1 2326006695 QVGSFTPFGVLPKH-UHFFFAOYSA-N 433.002 5.555 30 10 IKEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CCc2cc(NC(=O)OC(C)(C)C)ccc21 2326061102 DYVUJMICNRQCTP-AREMUKBSSA-N 436.552 5.338 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1N=Cc1ccc(OCCC)c(OC)c1 2326222472 GRBKKUNPYGJPEA-UHFFFAOYSA-N 438.597 5.593 30 10 IKEE CCOc1ccc(C=Nn2c(CC)nnc2SCc2ccc(Cl)cc2)cc1Cl 2326352631 DCTDLZDEXWVRRO-UHFFFAOYSA-N 435.380 5.721 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCC)n1N=Cc1ccc(Cl)cc1 2326458394 OIXRIGDFFNULPV-UHFFFAOYSA-N 428.945 5.070 30 10 IKEE CCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1cc(Cl)c(O)c(Cl)c1 2326468023 BIXBMLVOBJIYKK-UHFFFAOYSA-N 441.771 5.681 30 10 IKEE CCCCC1CCC(c2nnc(SCC(=O)OC)n2N=Cc2ccccc2Cl)CC1 2328187102 SURFNYPDKSSWPK-UHFFFAOYSA-N 449.020 5.543 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc(OC)c2)n1N=Cc1cccc(OCC)c1 2328636499 LHOIFXABAOUAFA-UHFFFAOYSA-N 436.581 5.021 30 10 IKEE Cc1ccc(C)c(CSc2nnc(COc3ccc(C)c(C)c3)n2N=Cc2ccc[nH]2)c1 2328793379 PQQIJHPCDCNJJF-UHFFFAOYSA-N 445.592 5.593 30 10 IKEE CCCSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1ccc(N(CC)CC)cc1 2328964770 IAMFKYCFVONBIX-UHFFFAOYSA-N 449.668 5.911 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2N=Cc2ccncc2)cc1 2329288486 MVQRBIXKECTCCM-UHFFFAOYSA-N 449.967 5.100 30 10 IKEE Fc1cccc(CSc2nnc(CC3CCCCC3)n2N=Cc2ccc(F)cc2F)c1 2330251359 XZSINVXFFZEBBN-UHFFFAOYSA-N 444.526 5.993 30 10 IKEE CCc1ccc(C=Nn2c(Cc3cccs3)nnc2SCc2ccccc2F)cc1 2330393386 YUFGHXQZOSENLY-UHFFFAOYSA-N 436.581 5.806 30 10 IKEE COc1cc(C=Nn2c(SC)nnc2-c2cccs2)ccc1OCc1ccccc1 2330529525 FZEWZAVYWOMUCT-UHFFFAOYSA-N 436.562 5.198 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2ccc(C(=O)O)cc2)cc1 2330625143 AKDYOUQYUVYTGB-UHFFFAOYSA-N 428.517 5.126 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2-c2ccccc2)cc1 2330639950 ZCAJFIIYYJLBSC-UHFFFAOYSA-N 446.551 6.048 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OC(=O)C1CCC1 2330701300 QCLUCZBJDXHYGX-UHFFFAOYSA-N 430.544 5.904 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(CC(C)(C)C)nnc1SCCc1ccccc1 2330851017 YWUUGOKTWAPXLH-UHFFFAOYSA-N 436.625 5.871 30 10 IKEE COc1cccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccccc2Cl)c1O 2330852163 UDTZMRFLUOQGKE-UHFFFAOYSA-N 444.988 5.409 30 10 IKEE CN(C)c1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C(F)(F)F)cc1 2331138494 YFBUXMBKMNBQST-UHFFFAOYSA-N 439.894 5.191 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)c(C)c1 2331215848 IFRYAIZCPJDFSD-UHFFFAOYSA-N 439.338 6.654 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc4c(c3)OCO4)c(Cl)c2)c(C)c1 2331224307 IUEQFMNEVRZQAX-UHFFFAOYSA-N 434.875 5.801 30 10 IKEE COc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C(C)(C)C)cc1O 2331410974 YPTQCNIOQJFIGJ-UHFFFAOYSA-N 430.961 5.118 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)cc3)c([N+](=O)[O-])c2)cc1F 2331456735 YUXDZWBQGVSCQE-UHFFFAOYSA-N 449.434 5.095 30 10 IKEE CCCSc1nnc(CC(C)C)n1N=Cc1ccccc1OCc1ccccc1Cl 2331463908 BRCZIXAUOUNVCY-UHFFFAOYSA-N 443.016 6.093 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCc3ccccc3C)nnc2C2CCC2)cc1 2331489960 NWHFXCQNALTDSK-UHFFFAOYSA-N 433.625 5.875 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)CC(C)(C)C)c(OC)c2)c(C)c1C 2331612035 VUBIYXZBBSNCHU-UHFFFAOYSA-N 444.955 6.212 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)cc(Cl)c1OC(=O)C(C)(C)C 2331618508 UMTPRTFOYWNGON-UHFFFAOYSA-N 444.955 6.212 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2cccc(Cl)c2)c1C 2331675930 SPRYGIQFSWYVHI-UHFFFAOYSA-N 441.988 5.285 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2cccs2)c([N+](=O)[O-])c1 2331877048 NWCPBGTYWIPUEO-UHFFFAOYSA-N 443.864 5.434 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2OC)ccc1OC(=O)c1cccnc1 2331877186 UPGMZISSHURXDX-UHFFFAOYSA-N 437.879 5.258 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]2C[C@@H]1CNc1ccc(C#N)c(Br)c1F 2360223509 QHRKHTMPXNQUMW-BJJXKVORSA-N 438.341 5.050 30 10 IKEE COc1cccc(/N=C(/SCc2c(C)c(C)c(C)c(C)c2C)N(CCC#N)CCC#N)c1 12339708 ICMITAIQPYGNJJ-PBBVDAKRSA-N 448.636 6.288 30 10 IKEE COc1cc(-c2cc(/N=C(/Nc3ccc(C(C)C)cc3)SC)[nH]n2)cc(OC)c1OC 20440344 OXMZMJJIKWGTQD-UHFFFAOYSA-N 440.569 5.689 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C)o2)cc1 21255538 UWPOMKGSMXSJRI-PPHZAIPVSA-N 428.532 6.356 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)O 28538043 PHZQULSGYVCYNC-VWLOTQADSA-N 431.661 7.060 30 10 IKEE CCn1nc(C)c(CN/C(=N/C(=O)c2ccc(C(C)(C)C)cc2)Nc2ccccc2C)c1C 32971625 DGZLKGNFDYQBKB-UHFFFAOYSA-N 445.611 5.524 30 10 IKEE COc1ccc(C(=O)[C@@H]2[C@@H](c3cccs3)C(C#N)(C#N)[C@@H]3c4ccccc4C=CN23)cc1 33288398 YMCXLLPIHSKVQS-CUYJMHBOSA-N 437.524 5.167 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O)c1ccccc1 33365806 IOSAFSKCJNOARJ-UUYOSTAYSA-N 435.273 5.327 30 10 IKEE O=C(/C=C\c1cccc(NC(=O)c2ccccc2-c2ccccc2C(=O)O)c1)c1ccccc1 35318015 SMVIWOQBEVIMMO-ZCXUNETKSA-N 447.490 6.200 30 10 IKEE C=CCOc1cccc([C@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2Cc2ccco2)c1 35444338 YXWWPPGYIRXECR-AHAAGLQNSA-N 441.483 5.023 30 10 IKEE C=C(C)C(=O)N[C@H](C)c1nc2ccccc2n1CCCCOc1cc(C)ccc1C(C)C 40191193 VHHOQEJGTZHDKG-OAQYLSRUSA-N 433.596 6.081 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OCc4ccccc4)c3C)C2=O)c(OC)c1OC 41432791 MXEYAEQSOMZJQB-HMAPJEAMSA-N 432.472 5.216 30 10 IKEE COc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN(CCCc2ccccc2)C3)C1=O 41586942 JHPQMLNUOXPXMN-XYGWBWBKSA-N 441.527 5.405 30 10 IKEE O=C1/C(=C\c2ccc(N3CCCCC3)o2)S/C(=N/c2ccccc2)N1C1CCCCC1 59138055 AVFRQZBQMXLKRN-DIPDZEALSA-N 435.593 6.207 30 10 IKEE Cc1c(/C=C2/S/C(=N/C3CCCCC3)N(C3CCCCC3)C2=O)c2ccccc2n1C 59303093 IJHRKCPPOUTLAB-RWBSCQHUSA-N 435.637 6.424 30 10 IKEE Cc1cccc(CSc2nnc(N/N=C/c3ccc4ccc5cccc6ccc3c4c56)[nH]2)c1 59310263 SKZVFNQLSSOHIA-RWPZCVJISA-N 447.567 6.749 30 10 IKEE O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccccc1/C=N/c1cccc2ccccc12 59500330 QCUCSVALGSVPAN-RWPZCVJISA-N 436.389 7.310 30 10 IKEE CCCCCCCCCCCCCCCCCCOC(=S)N[C@H]1C=CS(=O)(=O)C1 59568238 QYVZTMJEJPVCBD-QFIPXVFZSA-N 445.735 6.450 30 10 IKEE C=CCn1c(SCCC(=O)Nc2ccc(OC)cc2C)nnc1-c1ccc(Cl)cc1 59794988 RVTJBDQPMKQSQW-UHFFFAOYSA-N 442.972 5.222 30 10 IKEE CN(C)c1cc(C(F)(F)F)cc(-c2cccc(CC(=O)/C=N/c3ccc(Cl)cc3)c2)n1 95082532 BEEBLBRZSUAZAR-CCVNUDIWSA-N 445.872 6.001 30 10 IKEE CCCCCCCCCCOc1ccc(C2=N/C(=C\c3cccc(OC)c3)C(=O)O2)cc1 97997737 KRXMUTUJIGCAJY-QQTULTPQSA-N 435.564 6.559 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2 100348896 DOIJMOAFZJZRSY-LXWOLXCRSA-N 449.591 6.796 30 10 IKEE CCCCCCCCCCCCN1C(=O)C2(OCCCO2)c2ccc(Cl)c(Cl)c21 101326434 QPXUONRVTYROFF-UHFFFAOYSA-N 442.427 6.851 30 10 IKEE CCCCCCCCn1c(CCCCCNC(=O)Cc2ccccc2C)nc2ccccc21 102176541 GXBAKVKLNUQBSQ-UHFFFAOYSA-N 447.667 6.777 30 10 IKEE CCCCCCCCC(=O)N1CCC[C@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1 102996011 UOUOFESPRJTXGB-QHCPKHFHSA-N 440.534 7.187 30 10 IKEE CCCCCCCCCCCCCC(=O)Nc1ccc(Br)cc1C(=O)O 104664809 DPNIDLXMKWSCFN-UHFFFAOYSA-N 426.395 6.787 30 10 IKEE CCCCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N/c1ccc(C)cc1 107213850 PARCEWYDERHZNB-VHPLVOQASA-N 439.606 5.778 30 10 IKEE CCOc1ccc2oc(C)c(C(=O)Oc3ccc4c(c3)O/C(=C/c3ccccc3)C4=O)c2c1 110522832 WVDSHKNXBTWCAD-ZMOGYAJESA-N 440.451 5.975 30 10 IKEE CCCCCCCCCCCC[C@@H](N)c1cc(Br)c(Br)s1 162509529 VIPVCZXAEVTJBZ-OAHLLOKOSA-N 439.301 7.584 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\Nc2nc3cc(C)ccc3[nH]2)c(Cl)c1 169893363 XBDRRODJONOYCG-ONUIUJJFSA-N 426.992 7.100 30 10 IKEE CCCN1C(=S)N[C@@H](c2ccc(OCc3cc(C)ccc3C)cc2)C2=C1CCCC2=O 169929937 DTVCMPUHMTYZQR-VWLOTQADSA-N 434.605 5.531 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2cc(C)cc(C)c2)c1 169930067 FMKCVLIUTQCQHK-XMMPIXPASA-N 427.500 5.403 30 10 IKEE CCCN1C(=S)N[C@H](c2cc(Cl)c(OCC(C)C)c(OCC)c2)C(C(C)=O)=C1C 169930348 MINNGEYXBBHPRE-HXUWFJFHSA-N 439.021 5.278 30 10 IKEE CCCCCOc1ccc([C@@H]2NC(=S)N(C)C(C)=C2C(=O)c2ccccc2)cc1OC 169934998 HCZOZJMCYBQZQW-QHCPKHFHSA-N 438.593 5.282 30 10 IKEE COc1cccc(-c2csc(N/N=C\c3cc(Cl)c(OC(C)C)c(Cl)c3)n2)c1 169941876 XRXJTUIBZKEGBR-RMORIDSASA-N 436.364 6.359 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(C)c(C)c2)[C@H]1c1cccc(C)c1 169970461 WEOZHNFBFQEFSY-XMMPIXPASA-N 427.500 5.403 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@H]2c2cccs2)cc1 169986306 BLTCEQGTVHSENQ-QHCPKHFHSA-N 441.508 5.693 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2)cc1 170032624 KXPSRBGZHUEERX-HSZRJFAPSA-N 431.463 5.397 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@@H]2c2ccccc2)c1 170050394 CTRMQBRUGJMEOF-JOCHJYFZSA-N 435.882 5.879 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2sccc2C)c1 170104976 WDJANCVZCRIEGZ-OAQYLSRUSA-N 449.528 5.247 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C2CCCCC2)c1 170145331 BBZUDBPEZMLGDS-VWLOTQADSA-N 429.560 5.785 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1cccnc1)c1cccc2ccccc12 170191929 CAHABQNKCFTIAN-HSZRJFAPSA-N 442.421 5.296 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@@H]1c1cccc(OCC(C)C)c1 170219121 RVGBCEAQMQNDKR-DEOSSOPVSA-N 449.547 5.035 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccc2)cc1Cl 170222727 WNJMLUISFFXZJT-NRFANRHFSA-N 437.854 5.271 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccccc2)cc1C 170225273 BKPDMWASAQEXIG-SANMLTNESA-N 433.507 6.240 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1)c1ccc(Br)cc1 170231443 QWFQZHLHRIBSRW-HXUWFJFHSA-N 440.337 5.360 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2C2CCCC2)cc1 170246196 FZPWVQSRGFWUJR-JOCHJYFZSA-N 434.492 5.239 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@H]1c1c[nH]c2ccccc12 170255540 DRNJRXFPPOWUIY-HSZRJFAPSA-N 446.547 5.462 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccc(O)c2)ccc1OC(C)C 170259309 HIEPRHMEWYEPBH-DEOSSOPVSA-N 443.499 5.271 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2sccc2C)c1 170316497 CHRGZQJWPKIJKF-NRFANRHFSA-N 448.544 5.019 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(N3CCCCC3)cc2)[C@H]1c1ccccc1)c1cccs1 170371381 KVHZDWLBRVEWPL-QHCPKHFHSA-N 444.556 5.521 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccncc2)=C(O)C(=O)N1c1cc(Cl)cc(Cl)c1 170397947 YDXCLCKJKJAOKY-FQEVSTJZSA-N 439.298 5.480 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1cccc(Oc2ccccc2)c1 170455457 RVBUNOLOEUXNOO-DEOSSOPVSA-N 447.556 6.051 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1nc2ccc(F)cc2s1 170499193 XLUPHKBUFVPQGJ-UHFFFAOYSA-N 434.665 8.635 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N[C@H](CCSCC)C(=O)O 170505352 SCRBTDXXULGWQQ-JOCHJYFZSA-N 429.711 6.961 30 10 IKEE C[Si](C)(C)CCB(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F 196374926 XUQWTZGNRDQRCS-UHFFFAOYSA-N 446.169 5.025 30 10 IKEE CCCCCCCSC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 226828791 QDGCMVISBQLQKD-QHCPKHFHSA-N 441.593 5.682 30 10 IKEE CCOc1ccc(N=C2S/C(=C/c3cc(Cl)c(O)c(OCC)c3)C(=O)N2CC)cc1 252630267 UYEFUCBMVPRGOI-HOMYTQLHSA-N 446.956 5.467 30 10 IKEE COc1ccc(/C=C2/SC(=Nc3ccc(OC)cc3)N(c3ccc(OC)cc3)C2=O)cc1 254556325 MEVSHNUCCHKUCQ-MPVWDOOLSA-N 446.528 5.521 30 10 IKEE Cc1ccc(S(=O)(=O)O[C@@H]2C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]2O)cc1 263631350 BKOGUJNRCSWUNA-FWPQBTNRSA-N 446.653 5.473 30 10 IKEE N#Cc1cc(Br)ccc1NCc1cc(Cl)ccc1I 405298560 MCJBVZZBIZIZOT-UHFFFAOYSA-N 447.501 5.191 30 10 IKEE CCCCCCC[C@@H](NCCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 406912193 XSYHKMNMYYCCON-LJQANCHMSA-N 441.454 7.197 30 10 IKEE CC(C)COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccs2)c1 526488927 SDAZBYPMMWHGLT-QHCPKHFHSA-N 430.529 5.712 30 10 IKEE CC(C)c1ccc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526516674 QFYYGHCOKGHZGF-DEOSSOPVSA-N 428.919 6.392 30 10 IKEE COc1ccc(/C=N\n2c(C)nnc2SCc2cccc(Cl)c2)cc1OC(C)C 526811891 UXMNMDQIOWWPGA-FMCGGJTJSA-N 430.961 5.210 30 10 IKEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1ccc(C(F)(F)F)cc1 526815101 VTFNEGHINLVJJG-OPVMPGTRSA-N 445.297 6.087 30 10 IKEE CCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1c(C)n(CC)c2ccccc12 526818843 CRGIZZNQUFLAGJ-YSMPRRRNSA-N 431.609 5.915 30 10 IKEE CC1(C)[C@H]2CC[C@@]1(C)C(=NNC1=NC(=O)/C(=C\c3ccc(Br)cc3)S1)C2 575732318 OSOWLGLZNFHGQW-IOXCJHSGSA-N 432.387 5.211 30 10 IKEE CSc1cccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccccc2Cl)c1 586227359 QJZUFQNDBSUPRK-UHFFFAOYSA-N 428.966 5.329 30 10 IKEE CC[C@H](/C=C/[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 616581925 FFKIQLXJMQUBQZ-MRZUNHOJSA-N 426.685 6.980 30 10 IKEE biogenic Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@H]1CCCN1C(=O)OC(C)(C)C 698484035 MSCDRYLLLVBSTC-DVECYGJZSA-N 429.561 5.418 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCc2cc(F)ccc21 698487189 FHLUHSOUICYDBY-NRFANRHFSA-N 431.305 5.695 30 10 IKEE CCCCCCCC[C@@H](NCC)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 702479431 GXJQNSWJSKCEEL-RPWUZVMVSA-N 433.681 5.740 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCN(C(=O)OCc3ccccc3)C2)cc1 720801928 CXPLQVLLBNKLLA-AREMUKBSSA-N 449.551 5.432 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCO[C@H](C(C)(C)C)C1 721576033 OIEGMNAKBFOQGS-LAUBAEHRSA-N 437.378 5.678 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCC[C@H](NC(=O)OC(C)(C)C)C1 724031488 XYJDQMPQLGLTAD-XDHUDOTRSA-N 445.560 5.166 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1cccc(OCc2ccccc2)c1 829347737 NZQNIEDMKSPEBZ-RUZDIDTESA-N 428.532 6.580 30 10 IKEE COc1cc(C=Nc2sc3c(c2C(=O)Nc2ccccc2)CCCC3)ccc1OCC#N 1084280119 ZCGUZRHRIMGLIW-UHFFFAOYSA-N 445.544 5.541 30 10 IKEE CCN1C(=O)/C(=C\c2cccc(OCc3ccc(C)cc3)c2)SC1=Nc1nc(C)cs1 1772736478 UOTCPNLLTPOOMJ-TVWUMHKZSA-N 449.601 5.963 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(CC)cc2)SC1=Nc1nc(-c2ccccc2)cs1 1772739242 SPUYATCJABKXOT-LLLXPECQSA-N 431.586 6.163 30 10 IKEE C=CCN(CC=C)c1nc(-c2ccnc(N(CC)Cc3ccccc3)c2)cc2cnccc12 1857840794 NBAWDRYKWNWIPJ-UHFFFAOYSA-N 435.575 5.897 30 10 IKEE N#Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)n(Cc3ccc(F)cc3)n2)cc1 1859387405 JSNKLANTLNWKMR-UHFFFAOYSA-N 430.870 5.515 30 10 IKEE CC(C)(C)c1csc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c1C#N 1860653070 TUPCBMDUFJSWTL-OAHLLOKOSA-N 429.973 5.062 30 10 IKEE COc1cc(/C=C/C(=O)C(=O)OCCCc2ccccc2)ccc1OCc1ccccc1 1860738627 LDWUWTIBTSSTNQ-JQIJEIRASA-N 430.500 5.033 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)c1ccc2nc(CC)[nH]c2c1 1860960578 JMFWYRBOGNRAEK-QFIPXVFZSA-N 442.648 5.671 30 10 IKEE CCCCCCCCNC(=O)C(C)(C)NC(=O)c1ccc2nc(-c3cccc(C)c3)[nH]c2c1 1861439645 BMUWPNSEUPTISM-UHFFFAOYSA-N 448.611 5.523 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2cccc(C)c2)cc1C 1862401230 WOKCSDJYKBGOKG-DEOSSOPVSA-N 433.548 5.613 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1c(F)cccc1Cl 1862449316 JBYHRHRQUXPGFO-IBGZPJMESA-N 436.310 5.901 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(Br)cc1 1862452714 JDMGZHYWNAXYPV-GOSISDBHSA-N 448.744 5.481 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccccc1 1862456205 MSYHJHRPOXEXFP-RCDICMHDSA-N 437.417 5.443 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2C2CCCCC2)cc1 1862458394 MQDRGYWFZWSFIY-JOCHJYFZSA-N 443.465 5.577 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(Cl)c(Cl)c1 1862468047 YELBJTMUDLTQJL-KRWDZBQOSA-N 444.236 5.397 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccccc2C(=O)O)cc1 1862476504 BAEXKMVZRHDHQY-SBUREZEXSA-N 441.483 5.033 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1Cl 1862476607 MDZUAMIQGMJWCV-AUSIDOKSSA-N 439.983 6.586 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccc(F)cc2F)cc1 1862478144 ZVUWUUOMSYDYIZ-HJPURHCSSA-N 433.454 5.613 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)cc1O 1862492182 LJSMMIIXINKQFX-WPSZSDGUSA-N 449.547 5.175 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)c1 1862501970 OOXZTDDKTRJFAG-OSPHWJPCSA-N 445.490 5.482 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc(OC)cc2)cc1 1862517632 RSTVTJAOPUVTHD-HSZRJFAPSA-N 437.536 5.108 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(Cl)cc1 1862526979 MEQZTAYNGZMBNX-QGZVFWFLSA-N 434.717 5.089 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@H]2c2cccc(F)c2)cc1 1862529028 BDAAFSDUMPCKSV-VWLOTQADSA-N 443.518 5.518 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@H]1c1ccccc1)c1ccc2c(c1)CCCC2 1862544069 VUFWWSHRWRBOBO-SANMLTNESA-N 441.571 6.034 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862621892 APAVIXLLIDCYCB-IBGZPJMESA-N 431.454 5.601 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862623154 RMDQSUCIWPBPPT-FQEVSTJZSA-N 444.358 6.055 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccc(Cl)c1 1862660163 FZOGQGSRXIRFME-QHCPKHFHSA-N 439.983 6.622 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2cccc(F)c2)cc1 1862687065 GBMJMKFIHCRENM-XMMPIXPASA-N 445.490 5.230 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc3ccccc23)c1 1862705124 QPSAHQLAFGWKSV-DEOSSOPVSA-N 427.500 5.369 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(F)cc2)C1=O 1863144337 GASPFJKBUKPUED-UHFFFAOYSA-N 447.554 6.030 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(F)cc2F)=C(c2cccs2)C1=O 1863480092 RTURSRIEIMHEKL-UHFFFAOYSA-N 446.563 6.359 30 10 IKEE Cc1nc(Nc2ccc(C#N)cc2)cc(N2CC(C)(C)c3ccccc3[C@@H]2c2ccccc2)n1 1868494167 AUZUMVDHHMIHGR-NDEPHWFRSA-N 445.570 6.288 30 10 IKEE CCCCCCCCCCNC(=O)c1cn(-c2ccc(OC)c(Cl)c2)c(=O)cc1O 1870133267 RAECNDXKPZNESD-UHFFFAOYSA-N 434.964 5.076 30 10 IKEE CCCCCCCCn1cc(OCCCOc2cccc(C)c2)c(=O)cc1CSCC 1870221969 UXBWIQZPJNSPDW-UHFFFAOYSA-N 445.669 6.618 30 10 IKEE C=CCOc1cn(Cc2ccc(Cl)cc2)c(CSc2ccc(Cl)cc2)cc1=O 1870246304 XIJXQJGESSCWLZ-UHFFFAOYSA-N 432.372 6.061 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccccc2Cl)cn1CCCOC(C)C 1870342587 AVOCXUHLGORVKW-UHFFFAOYSA-N 445.003 5.070 30 10 IKEE CCCCCCCCn1cc(OCC2CCCCC2)c(=O)cc1CN(CCC)CCCC 1870483461 UERPSUXRDATNDZ-UHFFFAOYSA-N 446.720 7.180 30 10 IKEE C=CCOc1cn(CCCCCCCC)c(CNc2ccc(OC)c(OC)c2)cc1=O 1870812512 VVZIVJFZDHXZSU-UHFFFAOYSA-N 428.573 5.403 30 10 IKEE C=CCOc1cn(Cc2ccc(C)cc2)c(CNc2ccc(C(F)(F)F)cc2)cc1=O 1870814015 QAGNKXOXJHKQOZ-UHFFFAOYSA-N 428.454 5.401 30 10 IKEE CCCCCCCCn1cc(OCc2cccc(OC)c2)c(=O)cc1CNc1ccccc1 1871055527 QUFZWCQAYWQZRR-UHFFFAOYSA-N 448.607 6.409 30 10 IKEE C=CCn1cc(OCCc2ccccc2)c(=O)cc1CNc1ccc(OCCCC)cc1 1871141120 CGFROPUBUKUNQG-UHFFFAOYSA-N 432.564 5.447 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccccc3OC(C)(C)C)CO4)C2=O)o1 1871345085 QYSCJWPYXYKUCZ-CFRMEGHHSA-N 445.515 5.734 30 10 IKEE CCCOc1ccccc1/C=C/C(=O)Oc1cc(C)c2c(c1)O/C(=C\c1ccco1)C2=O 1871376019 PJUAHNLOGVXPMI-UDPYIURASA-N 430.456 5.612 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc21 1871379573 UYPPAQWZOQCCMU-JJFYIABZSA-N 444.826 5.282 30 10 IKEE Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2)C3=O)c(C)c1 1871402094 DXGCZBHEKINONA-QHSFOXILSA-N 427.500 5.634 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2)cc2c1C(=O)/C(=C/C=C/c1ccccc1)O2 1871407698 YNNWHAUUWTZWSL-VOMVCNTBSA-N 425.484 5.573 30 10 IKEE Cc1ccc(CCOc2ccc3c(c2C)O/C(=C\c2ccc(Cl)cc2Cl)C3=O)cc1 1871437691 XHFYDIVLKOPXNR-QRVIBDJDSA-N 439.338 6.848 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4cc(Cl)ccc4C)cc(C)c3C2=O)c1 1871457375 CAVWJALQMRNVHM-KSEXSDGBSA-N 447.918 5.899 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 1871878446 DFBDRDNSSKPVCZ-OAQYLSRUSA-N 434.989 5.104 30 10 IKEE C=CCN([C@H](C(=O)Nc1cccc(Cl)c1)[C@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872249622 XTHAIOGNNXIMEG-VGSWGCGISA-N 449.016 5.187 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)C(c3ccccc3)c3ccccc3)n2)cc1 1872768252 OABQKXOSXSEZTE-HSZRJFAPSA-N 438.552 6.217 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)nc3)n2)c(OCC)c1 1872783549 CIJMWXNORPDBAX-MRXNPFEDSA-N 427.913 5.146 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc4ccccc34)n2)c(OC)c1OC 1872789181 ZUZQGBPSIMEMKO-LJQANCHMSA-N 444.512 5.479 30 10 IKEE CCCCCCCCN1C[C@H](C(=O)N(CCCC)C[C@@H]2CCCN3CCCC[C@H]23)CC1=O 1872994091 UGAPKJIPMNHWEA-ISJGIBHGSA-N 447.708 5.089 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H]2CCCC[C@H]2C)=C(c2ccccc2Cl)C1=O 1873031743 MHIAUDGLHQTQRW-WIYYLYMNSA-N 431.020 5.949 30 10 IKEE CCSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(OC)cc1 1874204554 IJTAGHUXRFFTFZ-SSDVNMTOSA-N 437.352 5.167 30 10 IKEE Cc1cccc(C)c1OCCCc1nnc(SCc2ccccc2)n1/N=C/c1ccc[nH]1 1874225414 JQNJFTKANLEBTO-WPWMEQJKSA-N 445.592 5.409 30 10 IKEE CCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1c[nH]c2ccccc12 1874232268 RYKDXAQTRCZPOW-WPWMEQJKSA-N 425.561 5.692 30 10 IKEE CCCSc1nnc(COc2cccc(C)c2C)n1/N=C/c1ccc(Cl)c(Cl)c1 1874324878 XBSZGCLDNXDXAR-WYMPLXKRSA-N 449.407 6.165 30 10 IKEE C=CCSc1nnc(CCc2cccs2)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874370962 APYHMJYMILUNJZ-HZHRSRAPSA-N 442.610 5.081 30 10 IKEE CSc1nnc(COc2ccccc2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874382583 XMIQCJDSWODOFA-PCLIKHOPSA-N 430.533 5.040 30 10 IKEE CCSc1nnc(CC2CCCCC2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874407160 IBGUABGNESNMPZ-NLRVBDNBSA-N 434.609 5.974 30 10 IKEE Fc1cccc(Cl)c1/C=N/n1c(Cc2ccccc2)nnc1SCc1ccccc1 1874416728 FNMWBSHCQCYUIO-CVKSISIWSA-N 436.943 5.836 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2-c2cccs2)c1 1874423959 NNQAKJDFCCWZBK-FSJBWODESA-N 440.981 5.849 30 10 IKEE Clc1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2ccccc2)c(Cl)c1 1874457538 UADLLWSVLFSTDQ-ZMOGYAJESA-N 431.392 6.417 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874504333 MQMUZWJUYJTOJU-FSJBWODESA-N 430.961 5.081 30 10 IKEE CCCSc1nnc(C2CC2)n1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1874520325 CTDSVUUWUUUQLX-WPWMEQJKSA-N 442.588 6.272 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(F)c(C)c2)c1OCC(=O)N[C@H](C)c1ccccc1 1874581273 FEYKRCFDEVHESE-OCKXMSAZSA-N 447.506 5.295 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)NCc2ccccc2)cc1 1874583946 OARZMIZSTZOUTA-WYMLVPIESA-N 447.962 6.055 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1OCC(=O)NC1CCCCC1 1874592782 BRRLUGGNYLEIBA-RVDMUPIBSA-N 443.543 5.572 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OCc1ccc(Cl)c(Cl)c1 1874596211 JYBKLZBCALNTLC-UXBLZVDNSA-N 441.354 7.094 30 10 IKEE COC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1OC 1874605947 NJGXVPKHXRWNDC-ZZXKWVIFSA-N 429.683 5.103 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3nccs3)c(Cl)c2)c(C)c1 1874615212 MMJSNBRUHWTDMD-QPJJXVBHSA-N 426.925 5.327 30 10 IKEE C[C@@H](NC(=O)COc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1)c1ccccc1 1874623505 GFZUNBVGXKVVDW-WEIUTZTHSA-N 435.523 5.992 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1)c1ccc(F)cc1 1874625017 IENRUVFHHRGHIT-XNWCZRBMSA-N 446.261 6.516 30 10 IKEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1Cl 1874628353 YTDOXJSXEYZQHZ-RIYZIHGNSA-N 449.934 5.933 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc(Cl)c1OCCCO 1874638350 VMKZGPAZHLUGNB-QPJJXVBHSA-N 429.727 5.703 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OC(=O)CCc1ccc(Cl)cc1 1874702707 GCKWRFCLDUXHTQ-VGOFMYFVSA-N 434.919 6.091 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(Br)c(O)c(Br)c1 1874719335 XXAONQJKQOPNEA-SNAWJCMRSA-N 426.104 5.130 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3c(C)cccc3C)cc2)cc1 1875106506 BQUNXDKYIKRCEE-XMHGGMMESA-N 442.555 6.527 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3c(OC)cccc3OC)cc2)cc1C 1875107297 JIVFATPBMZRSAI-GXDHUFHOSA-N 432.472 5.136 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)Cc2ccc(Cl)c(Cl)c2)cc1 1875118458 XIOFVWRWYCIIFO-UKTHLTGXSA-N 441.310 6.046 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3OC)cc2Cl)c1 1875118954 XBWXMNMHEHLBBL-ACCUITESSA-N 436.891 5.863 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)CC1CCCCC1 1875139952 JHEALWKJXQDPAH-CCEZHUSRSA-N 446.587 6.812 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2)cc1 1875150221 CEAVRBQDOAPNRY-NTUHNPAUSA-N 444.483 5.248 30 10 IKEE CC#CCCC[C@@H](NCCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1879644249 NIHLZENBMGLVTN-MUUNZHRXSA-N 441.615 7.079 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]([C@](C)(C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)C1 1911092406 JIIGCNUBGMAVFH-MFEFFIJZSA-N 449.617 5.461 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(CCC)CCN(C(=O)OC(C)(C)C)C1 1922068431 IORCYVGKOSGDRM-JYFHCDHNSA-N 430.633 5.555 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)C1(CNC(=O)OC(C)(C)C)CCCCC1 1922085634 JYOJNTYKVNSBRY-HSZRJFAPSA-N 430.633 5.603 30 10 IKEE CC1(C)CC[C@](C#N)(Nc2ccccc2Br)[C@@H](CNC(=O)OC(C)(C)C)C1 1927167194 SBPDMWFOKMQMEF-QVKFZJNVSA-N 436.394 5.474 30 10 IKEE CC[C@](C#N)([C@H](C)NC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)c1ccc(OC)cc1 1944154348 UYSVQXXJJWQPJF-HJPURHCSSA-N 433.549 5.022 30 10 IKEE N#Cc1ccccc1[C@@H](CCNC(=O)OCC1c2ccccc2-c2ccccc21)CC(=O)O 1951931392 XUGAUCOIRWGWKT-SFHVURJKSA-N 440.499 5.045 30 10 IKEE C#Cc1ccccc1[C@H](CCCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 1951971947 XJGMVLITRDIXHG-SANMLTNESA-N 439.511 5.503 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]1[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1978217226 YWJFKESJUCKYKQ-VGSWGCGISA-N 435.952 5.373 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(C)CC(F)(F)CN1C(=O)OC(C)(C)C 1996104867 HYUCJSOHPHQNOE-NZQKXSOJSA-N 438.559 5.162 30 10 IKEE CCCCCCCC[C@@H](N)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997454548 FEIDTKIVMRIGAE-BVAGGSTKSA-N 432.649 5.908 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)c2c(Cl)ccc(Br)c2F)C1 2062978024 KIFAVYLGAVSLOO-UHFFFAOYSA-N 432.717 5.285 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)c(Br)c1)NCCC 2063090203 LGUMLUOQTVQDAF-IRXDYDNUSA-N 431.802 5.093 30 10 IKEE C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2076319568 UKSCWZOSXBEQPU-BXKMTCNYSA-N 447.551 5.497 30 10 IKEE Cc1cc(O)c([C@H](C2CCC2)n2nc(C(C)C)c(C#N)c2I)cc1C 2079945203 DBWMNDRXBWSQKT-IBGZPJMESA-N 449.336 5.195 30 10 IKEE COc1ccc([C@H](C2CCC2)n2nc(C3CCC3)c(C=NO)c2Br)cc1F 2080107218 LFUKIPLNKXUFGJ-IBGZPJMESA-N 436.325 5.258 30 10 IKEE CC(C)(C)OC(=O)NCc1ccc(CNc2ccc(C#N)c(Br)c2F)cc1 2162348031 FUOMGVKIBTVITR-UHFFFAOYSA-N 434.309 5.097 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1c1ccc(Nc2cc(Br)cc(C#N)c2)cc1 2162387069 JHXIPUQOEHLSBD-MOPGFXCFSA-N 428.330 5.445 30 10 IKEE Cn1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)c(C(F)F)n1 2178749635 FHHABLZIKCGCIB-CQSZACIVSA-N 441.276 5.127 30 10 IKEE CC(C)(C)[C@@H]1CC=C(C(=O)c2cc(I)ccc2Br)CC1 2181641595 OEDJYEVCILXAFY-GFCCVEGCSA-N 447.154 6.009 30 10 IKEE CC(C)(C)OC(=O)N1CCCC(C)(C)[C@@H]1CNc1cc(Br)c(C#N)cc1F 2184314220 XVOOBRMYLURUEP-KRWDZBQOSA-N 440.357 5.297 30 10 IKEE C[C@@H]1Cc2ccccc2[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2185486661 RBLICZYRCMUIMY-IVZQSRNASA-N 427.342 5.802 30 10 IKEE CC(C)(C)OC(=O)N1CCc2sccc2[C@H]1CNc1cc(Br)ccc1C#N 2194005433 JECPVLDJQLWYSK-QGZVFWFLSA-N 448.386 5.329 30 10 IKEE C#CC[C@@H](C[C@H](NCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br)C1CC1 2196853717 JUSQWQMXHJHZGV-JXFKEZNVSA-N 435.406 5.886 30 10 IKEE C=CCC1([C@@H](NCCC)c2cc(Br)ccc2C)CN(C(=O)OC(C)(C)C)C1 2202474059 IHKRWRCDUTXRFK-IBGZPJMESA-N 437.422 5.611 30 10 IKEE C=CCCCCCCCCCSC(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2207413066 IICNQNCKXZRZDM-NRFANRHFSA-N 435.630 6.185 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)CC1(NC(=O)OC(C)(C)C)CCCC1 2235719193 FRFMKWZOICFTJR-SFHVURJKSA-N 435.406 5.006 30 10 IKEE C=C(CC)C[C@@H](NCCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237401325 WGHRMOKSPNBRSZ-UXHICEINSA-N 439.438 5.609 30 10 IKEE N[C@@H](C#Cc1ccc(Br)cc1)c1cc(Br)ccc1Br 2278731720 AOPGOJLDBWZGPK-HNNXBMFYSA-N 443.964 5.026 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Cl)cc1[C@H](N)C#Cc1ccc(Br)cc1 2278799815 RVOJBZXLBSOOSN-QGZVFWFLSA-N 435.749 5.501 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H]1CCCN(Cc2ccccc2)C1 2285325730 ABYSWLQJIJYLBK-ISKFKSNPSA-N 425.414 5.081 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)CC(C)(C)[C@H](C)NC(=O)OC(C)(C)C 2296274256 SVVJBFWSYYACCA-QFBILLFUSA-N 437.422 5.108 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1 2297319072 AXWIXMAJZRTHCP-SSEXGKCCSA-N 442.562 7.247 30 10 IKEE COc1ccc(C(O)=C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)C)cc2)cc1 2297740758 IUMNLIPDPAHJGZ-HSZRJFAPSA-N 431.488 5.034 30 10 IKEE C=CCC(CC=C)[C@@H](NCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2301057073 FLHMOYZGHKGJDR-HSZRJFAPSA-N 428.617 5.187 30 10 IKEE CCc1ccc(N=C2SC(=Cc3ccccc3Cl)C(=O)N2c2ccc(CC)cc2)cc1 2313556481 AQBDILCMMRMSCZ-UHFFFAOYSA-N 447.003 7.273 30 10 IKEE O=C1C(=Cc2c(Cl)cccc2Cl)SC(=Nc2nccs2)N1C1CCCCC1 2314542231 IFVOFDYECVLOHB-UHFFFAOYSA-N 438.405 6.387 30 10 IKEE CCCSc1nnc(CC)n1N=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2321027730 ZYESFJFKEFXZLO-UHFFFAOYSA-N 449.407 6.111 30 10 IKEE O=C(Oc1ccc(C=Nn2cnnc2SCc2cccc(Cl)c2)cc1)c1ccccc1 2321323555 HGSFHNMURDLZAX-UHFFFAOYSA-N 448.935 5.325 30 10 IKEE COc1ccc([C@H](C)N2COc3ccc4c(c3C2)OC(=Cc2cccc(OC)c2)C4=O)cc1 2322238814 VEOUQCQVXQLKBU-KRWDZBQOSA-N 443.499 5.233 30 10 IKEE CCCCC[C@@H](CC)N1COc2c(cc3c(c2C)OC(=Cc2ccccc2OC)C3=O)C1 2322356680 AIUFYOSXPMLBDF-OAQYLSRUSA-N 435.564 6.131 30 10 IKEE O=C(C=Cc1ccccc1OCc1c(F)cccc1Cl)c1ccc(Cl)cc1Cl 2322378835 UDHPXNHKYHMRRY-UHFFFAOYSA-N 435.709 7.261 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC)c2OCc2cccc(F)c2)cc1C(C)C 2322805896 CQNKDCIFRYOAGU-UHFFFAOYSA-N 448.534 6.750 30 10 IKEE Cc1c(OC(=O)Cc2ccccc2)ccc2c1OC(=Cc1c(Cl)cccc1Cl)C2=O 2322884664 GVTBSZDZSSRKON-UHFFFAOYSA-N 439.294 6.066 30 10 IKEE COc1ccc(CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2322904320 VUPMGHDKJUMBON-UHFFFAOYSA-N 434.875 5.421 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2OC)cc1OCc1c(F)cccc1Cl 2323176896 UEVXXSQJZYFTQM-UHFFFAOYSA-N 440.898 6.280 30 10 IKEE C=C(C)COc1c(Br)cc(C=CC(=O)c2ccc3ccccc3c2)cc1OC 2323404052 OQVQSYHARNFLDB-UHFFFAOYSA-N 437.333 6.462 30 10 IKEE O=C(C=Cc1ccc(OCc2c(F)cccc2Cl)cc1)c1ccc(Cl)cc1Cl 2323511609 XANZPAAVYMKBDK-UHFFFAOYSA-N 435.709 7.261 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)OC(=CC=Cc2ccccc2)C3=O)cc1 2323628288 OLKOYEKMTXKTRH-UHFFFAOYSA-N 440.451 5.312 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3C)cc2)cc1OCCC 2323744112 YQMDPNUHEZTAQL-UHFFFAOYSA-N 444.571 7.048 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2Cl)c(C)c1 2323854438 ATBXOLFURJFHIQ-UHFFFAOYSA-N 447.962 6.487 30 10 IKEE CCCOc1ccc(C=NNc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1Cl 2323865693 NVCFWTDXQMBXKZ-UHFFFAOYSA-N 428.945 5.657 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(ccc(O)c3CN3C[C@@H](C)C[C@@H](C)C3)C2=O)cc1 2324055207 RJAXDGXUPWLWCK-KDURUIRLSA-N 434.580 5.333 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 2324158615 FNPFMHYQZRHRPB-UHFFFAOYSA-N 425.355 7.592 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OCCCO)c(OCC)c2)cc1 2324210103 CWOQVQRHOPQLTK-UHFFFAOYSA-N 440.580 6.092 30 10 IKEE COc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccccc4C)ccc3C2=O)cc1 2324406020 IGFDINOUWYYRST-QGZVFWFLSA-N 429.472 5.026 30 10 IKEE CCOc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC 2324490585 AEGNWCUNUBRKJS-GOSISDBHSA-N 438.936 5.760 30 10 IKEE COC(=O)c1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)cc1 2324706573 CTYMSZVODMZPSY-FQEVSTJZSA-N 446.528 5.112 30 10 IKEE COC(=O)c1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1 2324722225 ILWXJZJLFCIAKR-OAQYLSRUSA-N 444.556 5.720 30 10 IKEE CCOc1ccc(NC(=O)COc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1 2325705011 DDZRINJUJGVUPV-UHFFFAOYSA-N 441.483 5.275 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2ccccc2Cl)cc1OC(=O)C1CC1 2325717291 ITNNLTPFLSUWSA-UHFFFAOYSA-N 435.701 5.323 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C=CC(=O)c3cc(C)ccc3OC)ccc2OC)cc1 2325742437 WLQFNTOPUWHKJR-UHFFFAOYSA-N 446.499 5.526 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OC(=O)CCc1ccccc1C 2325759998 TZZAZZYLHSFXNH-UHFFFAOYSA-N 428.528 6.055 30 10 IKEE COc1ccccc1CCC(=O)Oc1cccc(C=CC(=O)c2c(C)cc(C)cc2C)c1 2325764860 WJXIPXHSDOILFB-UHFFFAOYSA-N 428.528 6.055 30 10 IKEE CCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccc(C)cc1 2325809928 BXZFHDUJLIJTRU-UHFFFAOYSA-N 443.016 5.863 30 10 IKEE CCc1nnc(SCc2ccccc2F)n1N=Cc1c(Cl)ccc(Cl)c1Cl 2326269346 DMYCHNBXBXGOJK-UHFFFAOYSA-N 443.762 6.114 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1cc(C)ccc1O 2326338556 VGOXROUGOCHMAR-UHFFFAOYSA-N 436.581 5.026 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccc(OC(C)(C)C)cc1 2326388606 AOGNIMLAJZQINW-UHFFFAOYSA-N 436.625 6.281 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1cccc([N+](=O)[O-])c1 2326540991 PEMDDJLSHPZUGA-UHFFFAOYSA-N 445.932 5.111 30 10 IKEE Cc1ccc(C)c(OCc2nnc(SCc3ccccc3F)n2N=Cc2ccc[nH]2)c1C 2327288830 BEZYRGKWKXQLOU-UHFFFAOYSA-N 449.555 5.424 30 10 IKEE CCCOc1c(C=Nn2c(Cc3cccc4ccccc34)nnc2SC)cccc1OC 2327702720 GDHVZTQYTHONOO-UHFFFAOYSA-N 446.576 5.424 30 10 IKEE CCCSc1nnc(COc2ccc(C)cc2C)n1N=Cc1cccc2ccccc12 2328904703 GRWJVJCALWXDAW-UHFFFAOYSA-N 430.577 6.011 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccccn1 2329478153 OQSIZELXKIAPRV-UHFFFAOYSA-N 431.540 5.080 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccccc1OCCC 2329566779 YJILAOXBPKMXPQ-UHFFFAOYSA-N 426.973 5.938 30 10 IKEE Clc1cccc(CSc2nnc(COc3ccccc3)n2N=Cc2ccncc2)c1 2329923149 POJAKPHTQGTDTN-UHFFFAOYSA-N 435.940 5.080 30 10 IKEE Cc1ccc(CSc2nnc([C@H](C)c3ccccc3)n2N=Cc2ccccc2F)cc1 2330050907 UAOIIEYRDYNCKG-LJQANCHMSA-N 430.552 6.052 30 10 IKEE O=C(COc1ccccc1)Oc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1 2330594410 KCBUDXKJTJMUQU-UHFFFAOYSA-N 434.491 6.234 30 10 IKEE CCCOc1ccc(C=Nn2c(SCCc3ccccc3)nnc2-c2ccccc2)cc1 2330675190 IBODBJSLYLVYMJ-UHFFFAOYSA-N 442.588 5.951 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccccc2Cl)cc1OCC 2330935582 LPSAOEJSSBXFET-UHFFFAOYSA-N 449.374 7.164 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2Cl)cc(OC)c1OC(=O)c1ccncc1 2330949234 IKJYKNQSYXKXSX-UHFFFAOYSA-N 433.891 5.587 30 10 IKEE Fc1ccccc1CSc1nnc(-c2ccco2)n1N=Cc1ccc(Cl)cc1Cl 2331208289 KZOPHJBDBORRAP-UHFFFAOYSA-N 447.322 6.159 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3)c(OCC)c2)cc1 2331208338 TXZZAPPUKAOUPJ-UHFFFAOYSA-N 444.527 5.918 30 10 IKEE COc1cccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C(C)(C)C)c1 2331417021 SEPIJDDNWQAJRN-UHFFFAOYSA-N 432.952 5.551 30 10 IKEE COCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(Cl)cc1Cl 2331595794 RTXUTBPZCPDIQB-UHFFFAOYSA-N 441.771 5.559 30 10 IKEE CCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1Br 2331616344 KBCHAWMZEVEVFI-UHFFFAOYSA-N 431.326 5.676 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)Cc2ccccc2)c(Cl)c1 2331661832 ZGQKMWTZZUHYGR-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2OC)cc1 2331712753 DYNZMYBPPCJBLT-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1cc2ccccc2n1C 2331716279 JXDBOKCIJCDXGA-UHFFFAOYSA-N 439.511 5.919 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C(C)C)cc1 2331716288 MAODGVDMBWBSOL-UHFFFAOYSA-N 432.952 5.767 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3c(C)cc(C)cc3C)cc2Cl)cc1 2331768456 GEUJDJQUGLNLBX-UHFFFAOYSA-N 448.946 6.318 30 10 IKEE N#Cc1nnn(-c2ccc(Nc3ccccc3)cc2)c1NC(=O)C=Cc1ccc(Cl)cc1 2332187476 ORMSHFJVDRECHD-UHFFFAOYSA-N 440.894 5.188 30 10 IKEE CC#CCN(C[C@@H](NCCC)c1ccc(Br)cc1Cl)C(=O)OC(C)(C)C 2337912015 HXCTXCCFHAPBCI-GOSISDBHSA-N 443.813 5.404 30 10 IKEE CC1(C)OB(c2cc(Cl)cnc2Oc2cc(Cl)cc(Br)c2)OC1(C)C 2339446160 KFEUHMZLGJNVPK-UHFFFAOYSA-N 444.949 5.242 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(C)cc(Br)c1OC 2365226527 VTHIEOLMJORXOG-QZTJIDSGSA-N 441.410 5.276 30 10 IKEE Cc1ccc([C@H]2CC(=O)C3=C(C2)NC(Nc2nc4ccccc4o2)=N[C@@H]3c2ccccc2)cc1 1460151 WPCZZCNSNLXKQG-FQRUVTKNSA-N 448.526 5.649 30 10 IKEE Cc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(-c4ccccc4)cc2)C3=O)c1 41355379 OXOVHAGMFRJSMP-PKAZHMFMSA-N 432.475 6.497 30 10 IKEE CCCCOc1ccc(/C=N/Nc2nnc3c4ccccc4n(CCCC)c3n2)cc1OC 64981364 FQISCGNONWIMAH-YZSQISJMSA-N 446.555 5.413 30 10 IKEE CN1C(=O)C[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)S/C1=N\c1cccc(Cl)c1 100263181 PYFCTNRXJNGSJC-ACNSNUFOSA-N 442.755 5.237 30 10 IKEE CCCCCCCc1c(C)nn(C(=O)COc2ccc(C(C)C)cc2Br)c1C 100458557 HTKKCBXHHNFZAR-UHFFFAOYSA-N 449.433 6.618 30 10 IKEE CC1(C)CC(=O)C([C@H](C2=C(O)CC(C)(C)CC2=O)c2cccc(Br)c2)C(=O)C1 105443183 DPXWNXOKFXGWIC-LJQANCHMSA-N 447.369 5.308 30 10 IKEE CCCCCCCCOc1ccc(-c2nnc([C@](C)(N)CO)s2)cc1C(F)(F)F 148173504 JVHRETCRWVFQEC-LJQANCHMSA-N 431.524 5.129 30 10 IKEE CCOc1c(Br)cc(/C=N/Nc2ccc(C)c(C)c2)cc1Br 169876757 OPJMFOPEBKLKDY-KEBDBYFISA-N 426.152 5.673 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccc(N(C)C)cc2)cc1 169952969 RORQDACJVFQRFS-XMMPIXPASA-N 426.516 5.152 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccc(O)cc2)cc1C 169961819 GLUBGQAWYFVINU-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)C)cc2)[C@@H]1c1cccnc1 170003082 YXIDVOJJHJUOGW-HSZRJFAPSA-N 446.478 5.136 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@@H]1c1ccccc1C 170087851 YUCTZPLOVSBJBZ-SANMLTNESA-N 441.527 5.101 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2OC)cc1 170126074 DNFZBHHNVLCHGD-QHCPKHFHSA-N 435.520 5.005 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(N(C)C)cc2)c1 170129825 ZPMRVJFBJZBQDW-XMMPIXPASA-N 448.563 5.062 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)c(Cl)c2)[C@H]1c1cccc(C)c1 170146738 HDTXMPKJCGWNHR-LJQANCHMSA-N 448.346 5.689 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Br)ccc3o2)[C@@H]1c1cccs1 170165437 OWMVEDCOPVVKHM-KRWDZBQOSA-N 446.322 5.245 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC(C)C)cc3)[C@@H]2c2ccccn2)c1 170170595 LTWQMFUXQDNOFB-DEOSSOPVSA-N 442.515 5.208 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccnc1 170191182 NOEKIXFDJPTLDK-HXUWFJFHSA-N 439.298 5.480 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2)ccc1Cl 170227041 PSTPBKHTWZLNBW-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@@H]1c1ccccc1 170233208 PFCGWQPEMBCHTE-FQEVSTJZSA-N 427.928 5.426 30 10 IKEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(F)c4)[C@H]3c3ccc(F)cc3)ccc2O1 170238385 ABLNKIIGIHDHHO-PSLXWICFSA-N 447.437 5.071 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 170244168 SQPQVWWXZDWNGS-LJQANCHMSA-N 434.294 5.653 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(Cl)c3)[C@@H]2c2ccco2)cc1 170283286 QAZPJYHINXBUCW-NRFANRHFSA-N 437.879 5.287 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccco2)c1C 170286088 ODXSRCYVWNZMRE-IQMFZBJNSA-N 429.472 5.003 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccco1 170287788 WHHMSFCEJUCDCB-FQEVSTJZSA-N 437.879 5.341 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccco1)c1cc2cc(Cl)ccc2o1 170293386 SEWOFNQYOPHZAO-FQEVSTJZSA-N 425.868 5.590 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2ccc(C)o2)cc1 170303934 SYUYYRUHZGLWJS-HSZRJFAPSA-N 429.472 5.004 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2Cc2cccnc2)cc1 209984631 LFFWRHKFRKWLKI-PLAGLATNSA-N 438.527 5.383 30 10 IKEE Oc1ccc(Br)cc1C=Nc1cc(C(F)(F)F)ccc1N1CCCCC1 252630693 VDLYBHHNMHNKHX-UHFFFAOYSA-N 427.264 5.914 30 10 IKEE COc1ccc(C=NNc2nc(C(F)(F)F)c(-c3ccc(F)cc3)s2)c(OC)c1 254483993 QOSLWYWLLHQDSV-UHFFFAOYSA-N 425.407 5.431 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(Cl)cccc1Br 407160044 MTHDHRSZRYREQV-NVXWUHKLSA-N 431.802 5.613 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(F)ccc2F)cc1 526711127 XVDNPBKNYILQCH-HSZRJFAPSA-N 449.453 5.537 30 10 IKEE Fc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccccc2F)cc1 526802711 KYOAWJWPRAWYLB-YUMHPJSZSA-N 434.515 5.516 30 10 IKEE CCOc1cc(/C=N\n2c(CC)nnc2SCc2ccc(C(C)(C)C)cc2)ccc1O 526805965 OBLYQDBGAWTEOU-MYYYXRDXSA-N 438.597 5.417 30 10 IKEE CCCCOc1ccc(/C=N\n2cnnc2SCc2c(Cl)cccc2Cl)cc1 526814045 JEVQZRSHQKCXSY-MSXFZWOLSA-N 435.380 5.938 30 10 IKEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1c(O)ccc2ccccc12 526814431 NYFCMGRBPBIRKC-MYKKPKGFSA-N 443.359 5.927 30 10 IKEE CCCOc1cc(/C=N\n2c(C)nnc2SCc2c(F)cccc2Cl)ccc1OC 526817429 MVIYUMKQRQVVRF-MSXFZWOLSA-N 448.951 5.351 30 10 IKEE CCCOc1ccc(/C=N\n2c(CC)nnc2SCc2cccc(F)c2)cc1OCC 526824956 CGMMYEZQFQPIME-MYYYXRDXSA-N 442.560 5.342 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]2[C@H]1C(C)(C)[C@@H]2Nc1ccc(Br)cc1C#N 693664777 ASXKFVMPXOQIOW-NXHRZFHOSA-N 434.378 5.157 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@H](C#N)c1ccc(Cl)cc1Br 698452736 CSSKYTAITWUGAK-QGZVFWFLSA-N 427.770 6.237 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@H]1Nc1ccc(Br)c(C#N)c1 709701567 PJRMJRIPMCJTGY-BHIYHBOVSA-N 434.378 5.301 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)CN(C(=O)OC(C)(C)C)C(C)(C)C)cc1 710705711 BXELWPUFLPBNQO-LJQANCHMSA-N 431.577 5.664 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H]2CC[C@](C#N)(N(C(=O)OC(C)(C)C)C3CCCC3)[C@H]1C2 721766681 DWIYDDZDPNLKEE-ROMRWMGNSA-N 433.593 5.238 30 10 IKEE Oc1ccccc1C=Nc1cc(C(F)(F)F)ccc1Oc1ccc(-c2ccccc2)cc1 1084106533 QEVMLFKJHGPSMG-UHFFFAOYSA-N 433.429 7.621 30 10 IKEE Cc1cc(O)ccc1N/C(=N/Cc1cc(Br)ccc1F)N1C[C@H](C)C[C@@H](C)C1 1088663297 KJROPGRECUHHRS-HUUCEWRRSA-N 448.380 5.548 30 10 IKEE C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)(C)O)C[C@H](O)C[C@H]1O 1307267281 ZGLHBRQAEXKACO-DXGWAWTHSA-N 428.657 5.727 30 10 IKEE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNc1ccccc1)CC(C)(C)C2 1772729570 UXLYFQJBPIQBTB-UHFFFAOYSA-N 445.519 5.416 30 10 IKEE Cc1ccc(N=C2S[C@H](CC(=O)c3ccc(Cl)cc3)C(=O)N2c2ccc(C)cc2)cc1 1772760135 SUVBXPKXSKAOOD-HSZRJFAPSA-N 448.975 6.366 30 10 IKEE O=C(ON1C(=O)c2ccccc2C1=O)c1c(Cl)cccc1Oc1ccccc1Cl 1772792108 GTPBXQJMDPYSHF-UHFFFAOYSA-N 428.227 5.154 30 10 IKEE Cc1ccc(NC(=S)N/N=C\c2cn(-c3ccc(F)cc3)nc2-c2cccs2)cc1 1857809469 VZOAVLQJZDHKGU-CFRMEGHHSA-N 435.553 5.369 30 10 IKEE N#Cc1cccc(C(=O)Oc2cccc3c(NC(=O)/C=C/c4ccc(F)cc4)cccc23)c1 1858923583 OPKNFJQWAKVUOO-NTCAYCPXSA-N 436.442 5.722 30 10 IKEE CCCCCCCCCCn1ccc(=O)c(OCc2ccc(Br)cc2F)c1 1860774925 VVCILKGDWJYNDT-UHFFFAOYSA-N 438.381 6.470 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 1861125204 LIVCITFVXURODO-QWYDYZLZSA-N 431.577 5.150 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(F)cc1)c1ccc(Cl)cc1Cl 1862383286 SSSKDAKELQKWOV-IBGZPJMESA-N 446.261 5.504 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(C(F)(F)F)cc1 1862406322 MPCTZDFNQDTZEZ-JLTOFOAXSA-N 447.453 5.399 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1cc(Cl)cc(Cl)c1 1862408377 KOKMSGQNRZSREI-RNODOKPDSA-N 448.346 5.687 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(C)cc1 1862413189 XQMYJEZKYJZOFV-QHCPKHFHSA-N 441.518 6.212 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@H]2c2ccc(C)cc2)cc1 1862429641 REZKBIREPUWPCO-XMMPIXPASA-N 445.946 5.778 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(F)cc1F 1862476710 DIAQRCSRSHPXEZ-QHCPKHFHSA-N 449.453 5.060 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccccc2)c1 1862493274 LYRILPDIDNJTHX-RUZDIDTESA-N 441.527 5.481 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862532124 CIUVNEIFIUGBFV-QFIPXVFZSA-N 436.508 5.316 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2c(Cl)cccc2Cl)cc1 1862539706 WCPZZRBISLJMKL-FQEVSTJZSA-N 448.346 5.171 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2ccc(C(C)C)cc2)cc1 1862560122 FNOVICVHJCWLIE-RUZDIDTESA-N 440.543 5.479 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862582557 HPDWXVHLGMKIKM-SFHVURJKSA-N 449.290 5.280 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2Cc2cccs2)cc1 1862648633 GXTRYHJEHCYBHL-XMMPIXPASA-N 439.536 5.988 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1F 1862675182 DCASCNXAZCKAPB-DYHNYNMBSA-N 429.438 5.261 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(OCCC)cc1 1862681896 IILPPLQVCJHTFJ-JOCHJYFZSA-N 425.500 5.383 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccccc1C(=O)O 1862726893 RFBRHLUMIPYPFG-QHCPKHFHSA-N 441.483 5.040 30 10 IKEE CCOc1ccc(NC2=C(c3ccccc3Cl)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1863076337 JCFUWOOHHVMDSS-UHFFFAOYSA-N 443.890 5.007 30 10 IKEE CCCCc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3cccs3)C2=O)cc1 1863103730 RMBMQTORXHZOFJ-UHFFFAOYSA-N 427.529 5.359 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cccc(C)c2)=C(c2ccc(C)cc2)C1=O 1863265799 WYPAYQPVOTYANT-UHFFFAOYSA-N 432.608 6.636 30 10 IKEE CCCCCCCCNC1=C(c2cc(Cl)ccc2Cl)C(=O)N([C@@H](C)CC)C1=O 1863728480 CMQQIIZGVQNRSZ-HNNXBMFYSA-N 425.400 5.822 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)NCCN1C(=O)CSC1=O 1866029832 KNJUQATWRFOXIL-UHFFFAOYSA-N 426.667 6.060 30 10 IKEE CC[C@H]1Cc2cc(OC)ccc2N(c2cc(Nc3ccccc3C#N)nc(C(C)C)n2)C1 1868237639 BCCIJPOCWFSRLH-SFHVURJKSA-N 427.552 5.944 30 10 IKEE CC(C)=CCOc1cn(Cc2ccco2)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870166329 OIVROJPJWNNPJM-UHFFFAOYSA-N 449.576 5.319 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2Cl)c(=O)cc1CN(CC)CC 1870340465 KGTQNBCHGLKQEU-UHFFFAOYSA-N 433.036 6.283 30 10 IKEE CCCCCCCCCCn1cc(OCCCCCCC)c(=O)cc1CN1CC(O)C1 1870411595 GOOMAYTYLMZFCU-UHFFFAOYSA-N 434.665 5.515 30 10 IKEE CCCCCCCOc1cn(CCCCN2CCCC2)c(CN2CCC(C)CC2)cc1=O 1870414074 GBKWYYWUGQWVGW-UHFFFAOYSA-N 445.692 5.305 30 10 IKEE C=CCOc1cn(Cc2ccccc2)c(CNc2ccc(N3CCCCC3)cc2)cc1=O 1870810666 MMGDDBAAPKYTOS-UHFFFAOYSA-N 429.564 5.064 30 10 IKEE CCCCCCCOc1cn(CCCO)c(CNc2ccc(CCCC)cc2)cc1=O 1870837716 VCDVXSJZXMZRFF-UHFFFAOYSA-N 428.617 5.535 30 10 IKEE C=CCn1cc(OCc2ccccc2F)c(=O)cc1CNc1cc(Cl)cc(Cl)c1 1871245324 ZGUNRHINQHPTOV-UHFFFAOYSA-N 433.310 5.671 30 10 IKEE Cc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCC(C)C)cc1Cl 1871252034 HWWMVEQICIFWTE-UHFFFAOYSA-N 449.982 5.919 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1cccc(Br)c1)C3=O)CN(CCC(C)C)CO2 1871359074 HSAPGFJRTQLXIU-JMIUGGIZSA-N 442.353 5.572 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)Cc4cc(Cl)ccc4Cl)ccc3C2=O)cc1 1871376486 NFRRFMAHYMKRMG-YVNNLAQVSA-N 439.294 6.066 30 10 IKEE Cc1cc(OCCN2CCCCC2)cc2c1C(=O)/C(=C/c1c(Cl)cccc1Cl)O2 1871451178 ICBPZVCFVLOUNI-STZFKDTASA-N 432.347 5.783 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1ccc(Cl)cc1 1872089088 FWTQNMPORBQCTH-JOCHJYFZSA-N 449.016 5.277 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cccc(C)c1)[C@@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872267360 GHKXILQYZVOVBI-GBXCKJPGSA-N 442.625 5.232 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NS(=O)(=O)c1ccc(Cl)cc1 1872612707 HILIIYHWTBLZJD-OAQYLSRUSA-N 445.069 5.434 30 10 IKEE Cc1cc(OCCCC(=O)[C@@H](C#N)c2nc(-c3cccs3)cs2)cc(C)c1Cl 1872774222 KQDGMOQERSACKV-MRXNPFEDSA-N 430.982 6.177 30 10 IKEE CCOC(=O)Oc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc1 1872774969 HNAJYWUJBWIQGL-FQEVSTJZSA-N 434.517 5.959 30 10 IKEE N#C[C@@H](C(=O)COc1ccc(Cl)cc1Cl)c1nc(-c2c[nH]c3ccccc23)cs1 1872777129 HCJMTQNXYBLZTR-AWEZNQCLSA-N 442.327 5.853 30 10 IKEE CCCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc1OCC 1872783197 UOQDYTUEQSKBTG-OAQYLSRUSA-N 448.588 6.495 30 10 IKEE COc1cc(OC)c(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(F)cc3)n2)cc1Cl 1872783349 XPALTEUOBADVEB-WHWKNOJMSA-N 442.899 5.509 30 10 IKEE COc1c(Cl)cc(-c2csc([C@H](C#N)C(=O)CCOc3ccccc3)n2)cc1Cl 1872785413 MIXMPKIIXYEUCP-OAHLLOKOSA-N 447.343 5.771 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc4ccccc34)n2)c(OC)c1OC 1872789180 ZUZQGBPSIMEMKO-IBGZPJMESA-N 444.512 5.479 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc(COc2cc(Cl)cc(Cl)c2)cc1 1872866415 IVANPZBOWQLHRL-UHFFFAOYSA-N 436.423 7.443 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCCCC)=C(c2ccc(C)cc2)C1=O 1873143056 AXNXVUPHNPSZQS-UHFFFAOYSA-N 426.645 6.386 30 10 IKEE Sc1nnc(Cc2cccs2)n1/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 1873504559 AXYIFKWDOIQCSS-YDZHTSKRSA-N 440.981 5.334 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)c(F)c2)cc2c(NCc3ccccc3Cl)ncnc21 1873605554 HOYWNTLUZPQPPQ-UHFFFAOYSA-N 449.917 5.583 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(Br)cc1C)n2CC(C)C 1873613000 RJBOGQPWCBJVAC-UHFFFAOYSA-N 442.361 5.008 30 10 IKEE C=CCn1c(C(=O)Nc2cc(C)ccc2C)cc2c(NCc3ccc(C)cc3)ncnc21 1873641865 QENZBPLBHJAYQT-UHFFFAOYSA-N 425.536 5.407 30 10 IKEE CCOc1ccc(CCc2nnc(SCC)n2/N=C/c2ccccc2Cl)cc1OC 1874200389 ZHLWSHFLOMSULB-BUVRLJJBSA-N 444.988 5.118 30 10 IKEE CCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1cccc2ccccc12 1874255031 GXROHNNWOPVEPH-CVKSISIWSA-N 430.577 5.930 30 10 IKEE Cc1ccc(CSc2nnc([C@H](C)c3ccccc3)n2/N=C/c2cc(C)ccc2O)cc1 1874392220 GZMXHZFHRFKTTG-CSWGWEJPSA-N 442.588 5.927 30 10 IKEE Oc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccccc2Cl)cc1 1874403534 FPYVEKGBBYKQAL-WGOQTCKBSA-N 448.979 5.597 30 10 IKEE CCCOc1c(/C=N/n2c(Cc3cccs3)nnc2SCCC)cccc1OC 1874413866 PIGDTOOVZLZGKT-PXLXIMEGSA-N 430.599 5.112 30 10 IKEE C=C(C)CSc1nnc(CC(C)(C)C)n1/N=C/c1ccc(OCCCCC)c(OC)c1 1874438379 CGIIDNLSWIEYLE-PCLIKHOPSA-N 444.645 5.995 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2Cl)nnc1[C@H]1CCCO1 1874450684 HYIADKSCUZHUFN-QVHMZZSFSA-N 447.391 5.919 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CCCC2)c1O 1874455869 OCHCXJIJYFDORA-ZMOGYAJESA-N 442.972 5.478 30 10 IKEE Fc1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2Cl)nnc1C(F)(F)F 1874462719 CCHMXFFCOPZJEM-KTZMUZOWSA-N 449.260 5.917 30 10 IKEE COCCc1nnc(SCc2ccccc2C)n1/N=C/c1c(Cl)cccc1Cl 1874470170 QRGDRLXMOXYLDL-FSJBWODESA-N 435.380 5.257 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(COC)nnc2SCc2cccc(C)c2)cc1 1874498073 PVIWAHNRDLWTFC-PCLIKHOPSA-N 438.597 5.476 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccc(C(=O)O)cc1 1874508532 JFOYVYSLDQBMSS-FOKLQQMPSA-N 449.363 5.410 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2ccccc2Cl)nnc1C(C)C 1874513950 YLCHZRZYKVHWNS-ZVHZXABRSA-N 428.989 6.018 30 10 IKEE Cc1ccccc1COc1ccc(/C=N/n2c(C)nnc2SCc2ccccc2F)cc1 1874531444 JYKOFJKMMTTZTF-JFLMPSFJSA-N 446.551 5.788 30 10 IKEE Cc1ccccc1COc1ccccc1/C=N/n1c(S)nnc1CCc1ccccc1 1874560787 PBXJYEVTOWVOGZ-YZSQISJMSA-N 428.561 5.122 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(S)n1/N=C/c1ccc(OCc2ccccc2F)cc1 1874561155 GIRCEIPEOVLJFI-AEIQVQRHSA-N 432.524 5.319 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(Br)ccc2OCC)cc1OCCC 1874576277 GGOXPAGWSSPZKK-JXMROGBWSA-N 447.369 6.322 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccccc2OCc2nc(O)c3ccccc3n2)cc1 1874579794 IVSWPCGQJWJUCZ-DTQAZKPQSA-N 440.499 5.599 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccccc2OCc2c(Cl)cccc2Cl)cc1 1874582151 YRCSOOSMQMYIST-DTQAZKPQSA-N 439.382 7.766 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCc3ccccc3C)ccc3ccccc23)cc1F 1874582339 JEYWTCOGULFCHO-BUHFOSPRSA-N 426.487 6.771 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc1OCc1ccc(C)cc1 1874600529 QSKNAKMHATZPSU-PKNBQFBNSA-N 436.935 6.449 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OCc1ccccc1Cl 1874611619 NONJUZMUKQMXKZ-YRNVUSSQSA-N 428.862 6.492 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1cccc(C)c1 1874614040 AHPIYIHTTVFHLQ-KPKJPENVSA-N 441.354 7.176 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccccc3OC)c2)cc1 1874700335 NDHJEDKGUUSBTG-OQLLNIDSSA-N 446.499 5.147 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2ccc(C)cc2C)cc1OC(=O)C1CC1 1874702195 KHEWXJLWTOOEAO-VQHVLOKHSA-N 429.310 5.286 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccc(Cl)c(Cl)c2)c1 1874704432 ORRILUABWHVRKM-JXMROGBWSA-N 441.310 6.426 30 10 IKEE COc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3cc(C)cc(C)c3OC)ccc2OC)cc1 1874711320 VRHRXNZBZMVYPG-WUXMJOGZSA-N 446.499 5.445 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OC(=O)c1cc2ccccc2n1C 1874713827 PKHBNNRDBFNDKC-JLHYYAGUSA-N 439.511 5.919 30 10 IKEE C=CCN(CC=C)CCC(=O)c1ccc(OC(=O)c2ccccc2-c2ccccc2)cc1 1874745754 JPKDJVSVEQLWGN-UHFFFAOYSA-N 425.528 5.820 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccccc1 1875105900 RPTHAOYQGRQZIJ-YRNVUSSQSA-N 427.283 6.117 30 10 IKEE Cc1ccccc1CCC(=O)Oc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1Cl 1875121449 PYWUKDVCDGIPRH-FMIVXFBMSA-N 439.338 6.736 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Br)c(OC(=O)C(C)C)c(OC)c2)cc1 1875130760 PZCOIHIJFHOWMO-IZZDOVSWSA-N 447.325 5.314 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)CCc1ccc(Cl)cc1 1875137055 TXHHFGHGLBLUQI-OVCLIPMQSA-N 448.946 6.481 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(OC)ccc2OC)cc(Cl)c1OC(=O)C(C)(C)C 1875144912 UWOVWGORASSITH-CSKARUKUSA-N 446.927 5.604 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)Cc1ccccc1F 1875184743 ONPDOEDIJQXJGE-PKNBQFBNSA-N 432.491 5.804 30 10 IKEE C[C@@H]1C[C@@](C#N)([C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCO1 1875634730 SOTZLHSALVAUDO-MHWRTBLVSA-N 443.543 5.587 30 10 IKEE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(C)cc(C#N)c1 1901484265 XKQKITDPIKRAGE-VWLOTQADSA-N 439.515 5.123 30 10 IKEE CC(C)[C@H]1C[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)CN1Cc1ccccc1 1912206610 TYXCEIVJIPVRDE-NFBKMPQASA-N 426.565 5.117 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)C1(C)C 1947967058 BBBGPBVSVDRELM-QHCPKHFHSA-N 449.979 5.763 30 10 IKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1949525278 OCXTZULCCCKFNY-HOYKHHGWSA-N 435.609 5.486 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H]1C[C@]2(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1953300259 XXFVVEBFILEUGR-UVPKRVSESA-N 441.572 5.009 30 10 IKEE CCOC(=O)CSc1nc2c(c(-c3cccs3)c1C#N)CCC2=Cc1cccs1 2053527832 GRTOHCMYOMUHMP-UHFFFAOYSA-N 438.599 5.885 30 10 IKEE Cc1nc2ccc([N+](=O)[O-])cc2c(-c2ccccc2)c1C(=O)C=Cc1ccc2c(c1)OCO2 2053575713 ZIHDJTLTMKKKEZ-UHFFFAOYSA-N 438.439 5.743 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)c1 2053612672 LCRZPVZAWGOBSF-UHFFFAOYSA-N 436.533 5.358 30 10 IKEE Cc1ccc([C@H](n2nc(C3(C)CC3)c(C#N)c2I)C2(C)CC2)c(F)c1 2079091232 ZOTSRXXXBTYOLP-KRWDZBQOSA-N 449.311 5.248 30 10 IKEE Cc1ccc([C@H](C2CCC2)n2nc(C3CCC3)c(C#N)c2I)cc1F 2079126707 CJSVVWKMLCLLJF-IBGZPJMESA-N 449.311 5.464 30 10 IKEE CCc1nn([C@H](c2ccc(C(F)(F)F)c(F)c2)C2CCC2)c(Br)c1C#N 2079950527 GPSYBJIWWNRGAA-INIZCTEOSA-N 430.243 5.627 30 10 IKEE Cc1ccc([C@@H](C2CC2)n2nc(C(F)(F)F)c(C=NO)c2Br)c(F)c1F 2079954870 RWVPJSXTFPIXDF-CYBMUJFWSA-N 438.194 5.059 30 10 IKEE C[C@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)(F)F)c(C=O)c1Br 2079957792 QTQRRNDPFNJWKG-ZCFIWIBFSA-N 433.121 5.244 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H](n2nc(C3CCCCC3)c(C#N)c2Br)C1 2080311433 MKRZYGVKCGMMNM-HNNXBMFYSA-N 437.382 5.137 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(C)c(Br)cc1C 2136365362 XSYFEMBGNJQGCN-MOPGFXCFSA-N 425.411 5.576 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1ccc2c(c1)COC2 2156032549 CFJWLTBCVPFYME-IBGZPJMESA-N 429.314 5.486 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)CCCCCN(C)C(=O)OC(C)(C)C 2235716334 FLVXEKCZBDJDTM-IBGZPJMESA-N 437.422 5.206 30 10 IKEE CN[C@H](C#Cc1ccccc1Br)CCCCCCCNC(=O)OC(C)(C)C 2235728367 HEWBEOWKXFGZBI-IBGZPJMESA-N 437.422 5.254 30 10 IKEE CCCN(C(=O)OC(C)(C)C)C1(C#N)CCC(C)(NC(=O)OCc2ccccc2)CC1 2241909704 DZEIRFSYVSDOBA-UHFFFAOYSA-N 429.561 5.155 30 10 IKEE CC(C)(C)OC(=O)NC[C@]1(C)CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2258803465 GKVHHTHONDQLQR-BJKOFHAPSA-N 447.551 5.544 30 10 IKEE C=CCOc1c(Br)cc(C=C2N=C(SCC)SC2=O)cc1OCC 2295499405 OPSKPYYIZGITNZ-UHFFFAOYSA-N 428.373 5.136 30 10 IKEE COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)C(=Cc3ccc(OC)c(OC)c3)C[C@H]12 2297109885 SZBWKZHLROZHJQ-CBUXHAPBSA-N 432.560 5.831 30 10 IKEE COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=Cc2ccc(-c3cccc(Cl)c3)o2)C1=O 2297312877 HKZQCWWGDKSRHJ-UHFFFAOYSA-N 447.918 6.094 30 10 IKEE Cc1scc(C(=O)N(Cc2ccccc2)[C@H](C)C(C)C)c1B1OC(C)(C)C(C)(C)O1 2303625125 YWSURJKDTTWCQB-QGZVFWFLSA-N 427.419 5.043 30 10 IKEE C=CCn1c(-c2c(C)oc3ccccc23)csc1=NS(=O)(=O)c1ccc(CC)cc1 2314396689 HKDUSUOBGFGDGC-UHFFFAOYSA-N 438.574 5.309 30 10 IKEE COc1cccc(C(=O)Oc2ccccc2C=CC(=O)c2ccc(Br)cc2)c1 2314429557 JTPCOHCPYKVBRO-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE O=C1C(=Cc2c(Cl)cccc2Cl)Oc2cc(OCc3c(F)cccc3Cl)ccc21 2314438617 ZEHNJXSQLCLKJY-UHFFFAOYSA-N 449.692 6.981 30 10 IKEE Cc1csc(N=C2SC(=Cc3cn(C)c4ccccc34)C(=O)N2c2ccccc2)n1 2314544096 SXLNPFHFKLQMLR-UHFFFAOYSA-N 430.558 5.752 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1c[nH]c2ccccc12 2318571370 JDMNOQQRPNHKIJ-UHFFFAOYSA-N 444.391 6.193 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2321305347 QCTGITFDTXSZAB-VQTJNVASSA-N 447.620 5.628 30 10 IKEE Cc1c(OCc2ccc(Cl)c(Cl)c2)ccc2c1OC(=Cc1cccc(F)c1)C2=O 2321789702 MXMOFUFFOICHPJ-UHFFFAOYSA-N 429.274 6.636 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(ccc4c3CN(Cc3ccccc3)CO4)C2=O)cc1 2321981670 GQSQHJFVDQMRIV-UHFFFAOYSA-N 440.543 5.501 30 10 IKEE COc1ccccc1CN1COc2cc(C)c3c(c2C1)OC(=CC=Cc1ccccc1)C3=O 2321993868 DRYGFBVDANNGOY-UHFFFAOYSA-N 439.511 5.528 30 10 IKEE Cc1ccc(Cc2nnc(S)n2N=Cc2ccc(OCc3ccccc3)cc2)cc1C 2321998531 QXCYPZKNSYJFGY-UHFFFAOYSA-N 428.561 5.236 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCc2ccccc2)cc1OC 2322347548 MKSGOULJRORSAC-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE O=C(COc1ccccc1C=CC(=O)c1cc(Cl)ccc1Cl)Nc1ccc(F)cc1 2322999499 YNUSZKRFUXUUOR-UHFFFAOYSA-N 444.289 6.046 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2cccc(OCc3cccc(Cl)c3)c2)c1 2323260884 QYZDMQTXMBECGY-UHFFFAOYSA-N 436.935 6.613 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4Cl)ccc3C2=O)cc1 2323302394 YRMFDJOZZZPFBX-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(C)cc1 2323768007 ZNMLKCNFKIGVAH-UHFFFAOYSA-N 449.934 5.961 30 10 IKEE CC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2C)C3=O)c1 2323900961 WBDWFULTFKIAGW-UHFFFAOYSA-N 428.440 5.064 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OCC(=O)N[C@@H](C)c1ccccc1 2323985422 URIBXULVJFBHTI-IBGZPJMESA-N 447.506 5.295 30 10 IKEE O=C1C(=Cc2ccccc2)Oc2c1ccc(O)c2CN(Cc1ccccc1)Cc1ccccc1 2324055259 BAOLXSOZFKNHDT-UHFFFAOYSA-N 447.534 6.211 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2324370319 OPSZQIJYRPXCJH-INIZCTEOSA-N 433.891 5.671 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2C)C3=O)cc1 2324478026 JTGKCUWHDJUXPU-SFHVURJKSA-N 427.500 5.580 30 10 IKEE Cc1cccc(OCCOc2cc(C)c3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)c1 2324537100 SIJVJQHLWGVROT-UHFFFAOYSA-N 429.516 5.443 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(OC)c(OC)c3)n2)cc1 2324545709 VSNZOGDTVYSMAD-FQEVSTJZSA-N 448.544 5.506 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3cc(OC)ccc3OC)n2)cc1 2324545871 VMMRDMIDEHKJLY-NRFANRHFSA-N 448.544 5.506 30 10 IKEE Cc1cc(OCCCCOc2ccccc2)cc2c1C(=O)C(=Cc1ccc(N(C)C)cc1)O2 2324585063 YDACJLAILBIGAM-UHFFFAOYSA-N 443.543 5.915 30 10 IKEE CCc1ccc(OCCCOc2cc(C)c3c(c2)OC(=Cc2ccc(OC)cc2)C3=O)cc1 2324658285 SLFQZDSEAFFESJ-UHFFFAOYSA-N 444.527 6.030 30 10 IKEE Cc1cc(OCCOc2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1cccc(Cl)c1)O2 2324670237 FABMEWHEMLVYGJ-UHFFFAOYSA-N 441.310 6.376 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCc4cc(C)c(C)cc4C)cc(C)c3C2=O)cc1 2324765348 HOACNMTVJANNQF-UHFFFAOYSA-N 428.528 6.514 30 10 IKEE Cc1cc(OCC(=O)N[C@H](C)c2ccccc2)cc2c1C(=O)C(=Cc1ccc(Cl)cc1)O2 2325019710 CLMOPKHNTZRLKW-QGZVFWFLSA-N 447.918 5.521 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1ccc2c(c1)OC(=Cc1ccccc1Cl)C2=O 2325092617 ZCWHERMCNQPFDL-OAQYLSRUSA-N 442.939 6.237 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1cc(C)c2c(c1)OC(=Cc1ccccc1C)C2=O 2325098491 IYXLLMUTOKDUNL-QFIPXVFZSA-N 436.548 6.201 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1cc(Cl)c(O)c(OC)c1 2325507185 RHZQEFJLTPTSIR-UHFFFAOYSA-N 444.988 5.471 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(F)c(F)c4)ccc3C2=O)cc1 2325517693 FWKDSVIIQCLCLY-UHFFFAOYSA-N 435.426 5.161 30 10 IKEE COc1cc(C=CC(=O)C(=O)Nc2cccc(SC)c2)ccc1OCc1ccccc1 2325651869 OCDVRLOALUUSHE-UHFFFAOYSA-N 433.529 5.217 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OC(=O)COCc1ccccc1 2325735721 PAKOUZHVPPJKJR-UHFFFAOYSA-N 430.500 5.330 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1cccc(OC)c1)C2=O 2325737457 BBNUFURNAVQLCS-UHFFFAOYSA-N 443.499 5.200 30 10 IKEE Cc1cc(OCC(=O)Nc2ccccc2F)cc2c1C(=O)C(=Cc1ccc(Cl)cc1)O2 2325739264 UAHFOBKZUKBFKW-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2cccc(F)c2)C3=O)c1 2325740569 GOAPUMYBECEXRT-UHFFFAOYSA-N 431.463 5.385 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccc(OC)c(OC)c1Cl 2326303403 RWWXVNDWRZZNPD-UHFFFAOYSA-N 444.988 5.384 30 10 IKEE CCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(OCC(C)C)cc1 2326468082 VIGXZNQLSXLPRQ-UHFFFAOYSA-N 428.989 5.703 30 10 IKEE CCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1cc(Cl)ccc1O 2326514801 FQNLFJUYUODQJB-UHFFFAOYSA-N 437.352 5.172 30 10 IKEE CCOc1ccc(OCc2nnc(SCc3ccc(C)cc3)n2N=Cc2ccco2)cc1 2326632558 JOYIMKFUYCUETO-UHFFFAOYSA-N 448.548 5.332 30 10 IKEE C=C(C)CSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1cn(C)c2ccccc12 2328158149 QNJOXFFEPPVBEU-UHFFFAOYSA-N 449.668 6.784 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3F)n2N=Cc2ccccn2)c(C)c1 2328898960 LLFKNMASYBIGHY-UHFFFAOYSA-N 447.539 5.183 30 10 IKEE CCSc1nnc(Cc2ccc(OC)cc2)n1N=Cc1c(OC)ccc2ccccc12 2329268153 ZLTMLPPSGOOWMR-UHFFFAOYSA-N 432.549 5.034 30 10 IKEE COc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2ccccc2C)cc1 2329278412 PWYMIFCPQRFASX-UHFFFAOYSA-N 442.588 5.403 30 10 IKEE COc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2N=Cc2ccc[nH]2)cc1 2329292704 AMNRSYYQBPYTMB-UHFFFAOYSA-N 437.956 5.034 30 10 IKEE CCCOc1ccc(C=Nn2c(CCc3ccccc3C)nnc2SC)cc1OCC 2329463228 PRZGIESGERMKDC-UHFFFAOYSA-N 438.597 5.163 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccccc1O 2329539094 VKJKQDVXUWNFSC-UHFFFAOYSA-N 434.952 5.787 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(F)cc2)n1N=Cc1ccc(OCCCC)cc1 2329837154 MXRWKBQADOQKRW-UHFFFAOYSA-N 438.572 5.737 30 10 IKEE Clc1ccccc1CSc1nnc(COc2ccccc2)n1N=Cc1ccncc1 2329919263 DOZZDOJEBANGEO-UHFFFAOYSA-N 435.940 5.080 30 10 IKEE COc1ccc(C=Nn2c(Cc3ccc(C)cc3)nnc2SCc2ccccc2)cc1O 2329995095 LQNLQWYDUROQKO-UHFFFAOYSA-N 444.560 5.066 30 10 IKEE COc1cc(C=Nn2c(SCc3ccccc3F)nnc2-c2cccs2)ccc1O 2330583805 UKAMOGDMGMBHFV-UHFFFAOYSA-N 440.525 5.034 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3ccc(F)cc3)nnc2-c2ccccc2)c1 2330639925 WWYHMXQQZGWOMT-UHFFFAOYSA-N 446.551 6.048 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)C3CCC3)c(Br)c2)cc1C 2330862900 JGSKVGCCPTYLMP-UHFFFAOYSA-N 429.310 5.368 30 10 IKEE Cc1ccc(CSc2nnc([C@H]3CCCO3)n2N=Cc2cn(C)c3ccccc23)cc1 2330889041 VQTHPZFQFXABKW-JOCHJYFZSA-N 431.565 5.104 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)cc(Cl)c1OC(=O)c1cccnc1 2330971302 QBBHJHJGYSREED-UHFFFAOYSA-N 437.879 5.258 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(C=CC(=O)c3cccc(Br)c3)cc2)c1 2330994302 IRBVFWAMJFXHRL-UHFFFAOYSA-N 435.317 6.181 30 10 IKEE COc1cccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2C2CCCC2)c1O 2331077582 BELSQKQOSMLTPP-UHFFFAOYSA-N 436.581 5.441 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(OC)c([N+](=O)[O-])c3)cc2)cc1 2331190272 ODHWSLSHDMXTPL-UHFFFAOYSA-N 447.443 5.117 30 10 IKEE COc1ccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2-c2ccco2)cc1O 2331211216 OZPGSGJPOIQUBE-UHFFFAOYSA-N 434.521 5.044 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)cc2)c1 2331318537 WLSNPTZWTSBYHC-RPWUZVMVSA-N 430.931 6.562 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1cccc2ccccc12 2331337955 MPYGWQSGCDSHJL-UHFFFAOYSA-N 428.605 6.565 30 10 IKEE CCCCc1nnc(SCCc2ccccc2)n1N=Cc1cccc(OC)c1OCC 2331339046 BHSVICARHJJKRM-UHFFFAOYSA-N 438.597 5.245 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OC 2331349016 KDTLBLUWPSOHOK-UHFFFAOYSA-N 434.463 5.196 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(CC(C)C)nnc2SCc2ccccc2C)cc1 2331431892 APRNXEAVHJAFEE-UHFFFAOYSA-N 435.641 5.806 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)cc1)c1ccc2c(c1)OCO2 2331434658 JKKCHSZYPUNYKJ-LEWJYISDSA-N 446.886 5.674 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CCC2)cc1 2331535432 BLKBRTPXHHBJSI-UHFFFAOYSA-N 440.616 6.997 30 10 IKEE COCc1nnc(SCc2ccc(C)cc2)n1N=Cc1c(OC)ccc2ccccc12 2331550165 FZRGXYYLVKMJSR-UHFFFAOYSA-N 432.549 5.069 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C2CCCC2)c(Br)c1)c1ccc(F)c(F)c1 2331562154 LZBRBEHIYFEPEC-UHFFFAOYSA-N 435.264 5.719 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)cc3)c([N+](=O)[O-])c2)c(C)c1 2331768952 QONABAGLTCDWRB-UHFFFAOYSA-N 449.890 6.289 30 10 IKEE CCCCCCC[C@@H](NC)c1c(Cl)cc(Br)c(F)c1Br 2362233416 ADNPYXOCBHDLEA-GFCCVEGCSA-N 429.599 6.625 30 10 IKEE Clc1cccc(/C=N/c2ccc(Cc3ccc(/N=C/c4cccc(Cl)c4)cc3)cc2)c1 2894639 HNCFTPXQSAOUKN-GFTXTJKWSA-N 443.377 8.085 30 10 IKEE CCCN(CCC)C[C@@H](O)Cn1cc(/C=C/C(=O)c2ccc(OCC)cc2)c2ccccc21 8611835 HCFKZLXAHFGJTC-KROBSHITSA-N 448.607 5.419 30 10 IKEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2 14477604 HTUGUMJAIGFAJZ-VWKPWSFCSA-N 435.376 5.284 30 10 IKEE O=C1ON=C(c2ccccc2)/C1=C1\C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 15228612 CGCGMPNYGSGUBN-QZQOTICOSA-N 449.293 5.255 30 10 IKEE O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1cc(Cl)cc(Cl)c1O)c1c(O)n[nH]c1N2 18196361 SBOCGPAZOOCTHW-GLEZIHRCSA-N 448.331 5.147 30 10 IKEE O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@H](c1ccc(O)c([N+](=O)[O-])c1)Nc1ccccc1N2 21251249 IQFYJOASILEHTC-CPJLOUKISA-N 445.450 5.419 30 10 IKEE Cc1cc(C)c2nc(S[C@@H](C)C(=O)Nc3c(C#N)cnn3-c3ccccc3)cc(C)c2c1 32529188 QAMCLTNZNCVTQH-SFHVURJKSA-N 441.560 5.337 30 10 IKEE COc1ccc(/C=C\C(=O)Nc2sc3c(c2C#N)CCCC3)cc1COc1ccccc1 33523462 UUYYRRKVNBNWDD-OWBHPGMISA-N 444.556 5.738 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2ccc(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)cc1 34954121 FFEZEXFDSSJJDG-FRKPEAEDSA-N 429.472 6.008 30 10 IKEE C=CCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2[C@@H]1c1ccc(OCCCCCC)cc1 38594176 XVFACFRWRNTBRY-VWLOTQADSA-N 445.559 6.100 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)c(C)c2)[C@H]1c1ccccc1F 40091774 LYZSIXLJTUCFOP-JOCHJYFZSA-N 425.500 5.301 30 10 IKEE CCCCCCCNC(=O)c1ccc2c(c1)nc(C)n2-c1cc(OC)c(OC)c(OC)c1 50861920 ZJMZSABSTULIFS-UHFFFAOYSA-N 439.556 5.060 30 10 IKEE Oc1c(Br)cc(Br)cc1/C=N/Nc1ccc(Br)cc1 59502168 KZTVMSYJRACJQH-REZTVBANSA-N 448.940 5.126 30 10 IKEE CCc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3c(C(=O)Nc4ccccc4)cnn32)cc1 64873994 UWEGGUDNYVHHRN-XMMPIXPASA-N 440.547 5.356 30 10 IKEE C=C1S/C(=N/c2c(C)cc(C)cc2C)N(C(=O)c2c(F)cccc2F)C12CCCCC2 83309310 GXVJCLPNPNYRIQ-ZZIIXHQDSA-N 440.559 6.983 30 10 IKEE Cc1ccccc1NC(=O)c1sc2[nH]c(SCc3cccc(C#N)c3)nc(=O)c2c1C 96534400 SPTHPXNLPSNFHQ-UHFFFAOYSA-N 446.557 5.018 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)c2cc(OC)ccc2OC)cc1 97993106 NVQIHOXUVYTHOU-PTNGSMBKSA-N 440.499 5.461 30 10 IKEE CCCCCCCCCCCCCCCCNCC(=O)Nc1ccc(Cl)c(Cl)c1 100055501 KZGGMAJYWPYIOM-UHFFFAOYSA-N 443.503 8.003 30 10 IKEE CCCCCCCCOc1ccc(/C=C2\N=C(/C=C\c3ccc(Cl)cc3)OC2=O)cc1 100168204 NJLKJPDFTKJZSY-DGCGOETISA-N 437.967 7.089 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(N(CC)CC)cc1)N2 100342211 CYQPRXLJKOIFKT-ZEZDXWPOSA-N 432.652 7.709 30 10 IKEE O=C(O)c1ccc(/C=C2\S/C(=N/c3ccncc3Cl)N(c3ccccc3)C2=O)cc1 101127661 DNRDDHOQFXWWEI-XOVMAZANSA-N 435.892 5.242 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OC(=O)c4ccccc4F)ccc3C2=O)c2ccccc21 102724663 UREXVPYNLFKIIK-CFRMEGHHSA-N 427.431 5.636 30 10 IKEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 103224197 DDOKQZLYLWWRCT-FEYWKWKCSA-N 445.515 5.208 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1cccs1)c1cccc([N+](=O)[O-])c1 169985794 LRWACGQWBAZNIC-SFHVURJKSA-N 440.864 5.093 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1cccs1 169988415 UWPHYIHDXRHBBL-OAQYLSRUSA-N 425.456 5.128 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]2c2ccncc2)cc1C 170021582 VWXFURUMNXISIG-JOCHJYFZSA-N 432.907 5.443 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2C2CCCC2)cc1 170034057 VRLMXWCKFWGXEN-HSZRJFAPSA-N 435.520 5.005 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@H]1c1cccc(OC)c1 170120328 FNWUFHPQMOOVTP-HSZRJFAPSA-N 437.536 5.108 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccc(C)c2)c1 170141742 NAGLCXYXTDTFHD-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)c(C)c2)[C@H]1c1cccs1 170165760 MCUCHCUMABBRSX-OAQYLSRUSA-N 427.566 5.614 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccncc2)cc1C(C)C 170199249 DQNJIPIFIFLMAF-QHCPKHFHSA-N 446.478 5.136 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccncc2)c1C 170202938 QJNPGCNOFSBHJY-XMMPIXPASA-N 442.515 5.269 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccccc2)cc1 170224405 PDKKPJVTQMEMDP-SANMLTNESA-N 433.507 6.185 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1ccccc1)c1ccc2c(c1)CCCO2 170229649 XFPKQCHRFCDLBW-QHCPKHFHSA-N 447.437 5.073 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccco2)c1 170281890 IOGPNJRQRODOHB-OAQYLSRUSA-N 439.414 5.130 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccco2)ccc1OCC(C)C 170283750 UOFAMHXGTQGVOZ-HSZRJFAPSA-N 447.487 5.111 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccco2)cc1C 170290940 PQJOELIGPKZELC-NRFANRHFSA-N 439.414 5.048 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2cccc(C)c2C)o1 170302496 VXVNMGLQVLXQSI-DEOSSOPVSA-N 445.515 5.775 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1sccc1C 170319367 JHKLHQSIADKPNN-HXUWFJFHSA-N 427.566 5.614 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(O)cc1)c1cccs1 170341214 TVYCPRITHWRLPB-SFHVURJKSA-N 445.418 5.255 30 10 IKEE CCCOc1ccccc1N1C(=O)C(O)=C(C(=O)CC(C)C)[C@H]1c1ccc(N(C)C)cc1 170445553 SOBPAJGEKXYCGU-XMMPIXPASA-N 436.552 5.057 30 10 IKEE CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)C(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 170469292 MNNJKRLCPXUUPH-QFIPXVFZSA-N 434.536 5.068 30 10 IKEE Nc1c(C(=O)Nc2ccc(C(=O)/C=C\c3cccs3)cc2)sc2nc3c(cc12)CCC3 211405621 IEYJIIYRBMYVIE-KHPPLWFESA-N 445.569 5.577 30 10 IKEE Cc1cccc(C)c1N=C1S/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N1c1ccccc1 254511044 RXBCIGASJUHXSO-QGJBXVFPSA-N 429.501 6.020 30 10 IKEE Cc1cc(N=Cc2coc3ccc(Cl)cc3c2=O)n(-c2ccc(Cl)c(Cl)c2)n1 254753022 ULIAKDRTGCLJKT-UHFFFAOYSA-N 432.694 5.998 30 10 IKEE Fc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccc(Cl)cc2)cc1 526802235 DBRRZQZJOZGBIN-YSMPRRRNSA-N 436.943 5.836 30 10 IKEE Fc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2cccc(Cl)c2)cc1 526813209 ZPRUUZXHQOPDDV-YSMPRRRNSA-N 436.943 5.836 30 10 IKEE CCOc1ccc(/C=N\n2cnnc2SCc2c(F)cccc2Cl)c(OCC)c1 526817045 NKRZZMTWRVMZIP-MYKKPKGFSA-N 434.924 5.043 30 10 IKEE Cc1c(/C=N\n2cnnc2SCc2ccc(Br)cc2)c2ccccc2n1C 526819850 LOZFEDWVRZNGAI-KSEXSDGBSA-N 440.370 5.015 30 10 IKEE Fc1cccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccccc2F)c1 526825384 FBBLYWWJLMTTAM-YUMHPJSZSA-N 434.515 5.516 30 10 IKEE Cc1ccc(Nc2cc(C)nc(Nc3ccc(NC(=O)c4ccc(C#N)cc4)cc3)n2)cc1 585420456 AKOCTZNMVINETQ-UHFFFAOYSA-N 434.503 5.705 30 10 IKEE C=C(C)CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586143278 BWFMMRLDXUAQMQ-UHFFFAOYSA-N 440.653 5.216 30 10 IKEE CCc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2cccc3cccnc23)cc1 586242801 ZRZFOTAJBRTXJQ-UHFFFAOYSA-N 427.529 5.064 30 10 IKEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 586706930 CBAFKKNSEBKQJM-UHFFFAOYSA-N 437.849 5.817 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(Br)c2c(c1)OCCCO2 698842184 IDMJTFCYRGKDGT-INIZCTEOSA-N 439.350 5.068 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@H](C#N)c1sncc1Br 711916009 AKRSVNKIQKOQSS-CYBMUJFWSA-N 428.739 5.565 30 10 IKEE Cc1nc(C)c(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc(C(C)(C)C)cc2)o1 764431249 ZEGMWSRGKPTLMG-UHFFFAOYSA-O 433.557 5.071 30 10 IKEE N#Cc1c(NC(=O)COc2ccc(NC(=O)CC3CCCCC3)cc2)sc2c1CCC2 1860155587 TZRZPZGNFKMPPP-UHFFFAOYSA-N 437.565 5.035 30 10 IKEE CC(C)(C)c1csc(NC(=O)c2csc(NC(=O)OCc3ccccc3)n2)c1C#N 1860403894 VGTSKDPTNOUIDJ-UHFFFAOYSA-N 440.550 5.375 30 10 IKEE Fc1cc(Br)ccc1/C=N/NC(=S)NC1CCCCCCCCCCC1 1860501087 NLFVKPFKZDEYGL-HZHRSRAPSA-N 442.442 6.060 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)c1ccccc1OCC)c1ccccc1 1861356384 WOIFJOITGINLHR-VWLOTQADSA-N 438.612 5.813 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1cccc(OCC)c1 1862382334 CGPUTJGCUPGUHK-FQEVSTJZSA-N 448.346 5.771 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)cc1 1862414131 SHODXBJEDYQDII-VQUVXCFPSA-N 441.474 5.130 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccc(C)cc2)cc1 1862431610 KTGRSEGQKPSOSV-DEOSSOPVSA-N 445.946 5.989 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862450289 DDLPDKVOFIEIBJ-YCRPNKLZSA-N 427.928 5.506 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccccc2Cl)cc1 1862476205 FOVXDXBSQTUFQN-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccc(Cl)cc2)c1 1862503499 YQKMVLMCVHJZAQ-QHCPKHFHSA-N 449.909 5.874 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(Br)c3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862524881 POQSVQMXHYXODY-XOBRGWDASA-N 442.353 5.388 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2Cl)cc1 1862535574 GBGMZCCFMDXNHA-HSZRJFAPSA-N 431.919 5.681 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1ccc(C)cc1 1862636196 BDUQDBGJZVZLOQ-JOCHJYFZSA-N 425.500 5.301 30 10 IKEE O=C(O)c1ccccc1[C@@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1C1CCCC1 1862651985 ZICROYMNPONHLW-HSZRJFAPSA-N 441.483 5.059 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc(F)cc2)cc1 1862663141 PTWMJWCYQKQNDE-YJGRUCBDSA-N 435.539 6.106 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 1862665643 LKQOEYXVHQFGBB-QFIPXVFZSA-N 446.459 5.090 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccc(Cl)c2)[C@H]1c1cccc(F)c1)c1ccc(F)cc1 1862674490 YNPREDZUJLBBLM-NRFANRHFSA-N 439.845 5.397 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccccc1C 1862687084 GMBOGJSLPBXHPN-RDPSFJRHSA-N 435.564 5.941 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccc(O)cc2)c1 1862698389 HDDKQVSNCRFATO-HSZRJFAPSA-N 435.520 5.092 30 10 IKEE Cc1cccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3cc(Cl)ccc3Cl)C2=O)c1 1863013006 MXFUWGYHVTTWHI-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCC)=C(c2ccccc2[N+](=O)[O-])C1=O 1863593860 REZMWGCEAIUPMI-UHFFFAOYSA-N 429.561 5.205 30 10 IKEE Cn1nc(-c2ccccc2F)c(C#N)c1NC(=O)[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21 1865878070 JOQYPWOYVQHCOU-MRXNPFEDSA-N 447.901 5.291 30 10 IKEE CC(C)c1nc(Nc2cccc(C#N)c2)cc(N2[C@H](Cc3ccccc3)COCC2(C)C)n1 1868220943 CEXIHJZYDZYRLN-HSZRJFAPSA-N 441.579 5.442 30 10 IKEE CCCc1nc(Nc2ccc(C#N)cc2)cc(N2CCc3cc(C)ccc3[C@@H]2CC(C)C)n1 1868400908 JAXRFZDGRUVKHH-VWLOTQADSA-N 439.607 6.503 30 10 IKEE C=CCn1cc(OCCOc2ccc(OC)cc2)c(=O)cc1CSc1ccc(C)cc1 1870268784 KHNNMWPNLDNXBF-UHFFFAOYSA-N 437.561 5.101 30 10 IKEE CCCCCCCOc1cn(Cc2ccccn2)c(CN(CCCC)CCCC)cc1=O 1870414553 QAZMYXBWJCRASE-UHFFFAOYSA-N 441.660 6.043 30 10 IKEE CCCCCCCOc1cn(CCCC)c(CNc2ccc(Br)cc2)cc1=O 1870832552 ZEEICORCYVETFX-UHFFFAOYSA-N 449.433 6.372 30 10 IKEE CC[C@H](C)N1COc2ccc3c(c2C1)O/C(=C\c1cn(CC)c2ccc(OC)cc12)C3=O 1871352005 LNRUTZYDXDGIEN-PDHRUYIUSA-N 432.520 5.236 30 10 IKEE COc1ccc([C@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2ccc(C)o2)C4=O)cc1OC 1871353906 AYWAABUKURNXCF-OGQLAUOESA-N 447.487 5.135 30 10 IKEE CCCCOCCCN1COc2c(cc3c(c2C)O/C(=C\c2ccc(F)cc2)C3=O)C1 1871355522 DGPGCSPHNYBQLH-XKZIYDEJSA-N 425.500 5.109 30 10 IKEE Cc1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1 1871367163 WXDWOMQFFROXLY-DYAARSSKSA-N 441.439 5.447 30 10 IKEE Cc1cc(OC(=O)C(c2ccccc2)c2ccccc2)cc2c1C(=O)/C(=C/c1ccccn1)O2 1871371842 MCWSUXUEFURUQI-UQQQWYQISA-N 447.490 5.744 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O)c1ccc(Cl)c(Cl)c1 1871372434 QYEIUQQTLHRLQP-UKWGHVSLSA-N 429.230 5.968 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O 1871378012 QAJAAAFBCLOWEZ-NHDPSOOVSA-N 431.315 6.485 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3cc(OC(=O)/C=C/c4cccs4)cc(C)c3C2=O)c1 1871380931 KASIFBBUECKKSL-KIMCNIAYSA-N 448.496 5.309 30 10 IKEE CC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)c1 1871390103 GAMUBQCLKNAMSY-JJFYIABZSA-N 448.858 5.409 30 10 IKEE COc1cccc(/C=C2\Oc3c(CN4CCCc5ccccc54)c(O)cc(C)c3C2=O)c1 1871395261 MIHHODOLCYCPCA-IWIPYMOSSA-N 427.500 5.278 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2C)C3=O)c(C)c1 1871413461 HIILKYOAQDVTCE-FQOPDIHJSA-N 441.527 5.942 30 10 IKEE Cc1c(OCC(=O)Nc2cccc(Cl)c2)ccc2c1O/C(=C\c1cccc(F)c1)C2=O 1871454252 FOKNRKQOJOJMLQ-NHDPSOOVSA-N 437.854 5.421 30 10 IKEE C=CCN([C@H](CC(C)C)C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)S(=O)(=O)C1CC1 1872323900 HAOJMSJXNAJGPV-HSZRJFAPSA-N 434.646 5.267 30 10 IKEE CC(C)(C)c1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 1872759803 AAYDATZPZKBURT-RLMNYEENSA-N 440.612 6.876 30 10 IKEE Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Br)cc3)cs2)ccc1[N+](=O)[O-] 1872764724 WGRHATBFJNIUBN-OAHLLOKOSA-N 442.294 5.279 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccc(C(C)(C)C)cc3)n2)c(C)c1 1872769338 PLTHIKUWBQPPAJ-HSZRJFAPSA-N 446.616 6.760 30 10 IKEE N#C[C@@H](C(=O)COc1ccccc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872779494 KWXPUFZECYIHPW-QFIPXVFZSA-N 426.497 5.858 30 10 IKEE COc1cccc(C(=O)[C@@H](C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)c1 1872786129 ZCXLJGUAXYTJBL-CQSZACIVSA-N 433.316 5.624 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@@H](C#N)C(=O)CCCOc2ccc(C)cc2)n1 1872788490 JJDSBFAPJNRJTJ-IBGZPJMESA-N 440.952 5.816 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2C)C(=O)N(Cc2cccs2)C1=O 1873102277 LKUZGQGVPYYRSY-UHFFFAOYSA-N 438.637 6.067 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2OCCCC)=C(c2cccnc2)C1=O 1873269581 XSRIVIRBILEGOU-UHFFFAOYSA-N 449.595 5.813 30 10 IKEE C=CCN(CC=C)c1nc(Nc2cccc(SC)c2)c2cnn(-c3ccccc3)c2n1 1873481928 YIZDCNFUKUPHFK-UHFFFAOYSA-N 428.565 5.459 30 10 IKEE CCCCCCCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C[C@H]2CCCO2)C12CCCC2 1873885991 CBFQTCCUOHMYPC-QPPBQGQZSA-N 440.628 5.195 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)N[C@H](C)c3ccc4c(c3)CCCC4)c(=O)oc2c1 1873977307 OLSOZZPQYXFTJY-LJQANCHMSA-N 445.559 5.355 30 10 IKEE C=CCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1cccc(OCC)c1 1874232526 NTHBLIXBVWAUDH-ZXVVBBHZSA-N 442.588 5.776 30 10 IKEE CCCOc1cccc(/C=N/n2c(COc3cc(F)ccc3F)nnc2SCCC)c1 1874262466 ZZSRRIXJJJXFOX-AFUMVMLFSA-N 446.523 5.308 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1ccc(OCC)cc1 1874287365 ARVLHEYHWWAUAY-XIEYBQDHSA-N 426.630 6.301 30 10 IKEE Fc1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SCc2ccccc2F)cc1 1874376012 ZXZPCZNEUIDGDO-MZJWZYIUSA-N 438.478 5.461 30 10 IKEE Fc1ccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccccc2F)cc1 1874406692 VLKSHVFLLXLSRV-CVKSISIWSA-N 426.536 5.854 30 10 IKEE Clc1ccccc1/C=N/n1c(CC2CCCCC2)nnc1SCc1ccccc1 1874408419 WEENOOXPEYBWIF-PCLIKHOPSA-N 425.001 6.229 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SCC)nnc2-c2ccccc2)cc1OCC 1874427641 UAKIAYWWNIBHJW-XIEYBQDHSA-N 438.597 5.907 30 10 IKEE Cc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCC(=O)N[C@@H](C)c2ccccc2)cc1 1874441303 QXRZFHRBYKICSQ-JHKMYFMNSA-N 449.624 5.027 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2ccccc2F)nnc1[C@@H]1CCCO1 1874445676 IJTRGRYMHKWTGS-XAOCGEIJSA-N 440.544 5.232 30 10 IKEE Fc1cccc(Cl)c1/C=N/n1c(SCc2cccc(Cl)c2)nnc1C1CCCC1 1874457504 RPSIMADBGWGJPI-BRJLIKDPSA-N 449.382 6.556 30 10 IKEE CCSc1nnc(CC(C)C)n1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1874488386 UMVLYDGPGBHJAY-WPWMEQJKSA-N 444.604 6.203 30 10 IKEE Cc1cccc(CSc2nnc(CC(C)C)n2/N=C/c2cccc(Br)c2)c1 1874489554 XOVUOJUZNVWLTP-YDZHTSKRSA-N 443.414 5.722 30 10 IKEE CCCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1/N=C/c1cccc(Cl)c1 1874503772 ZGSWEEAELNEKOZ-ZMOGYAJESA-N 441.988 5.114 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc(O)c(OCC)c1 1874508056 KFYAVFSTMFFXMZ-YDZHTSKRSA-N 430.961 5.163 30 10 IKEE CCCOc1c(/C=N/n2c(SCc3ccc(C)cc3)nnc2C(C)C)cccc1OC 1874509015 HHQMHOPIJDENHC-MFKUBSTISA-N 438.597 5.682 30 10 IKEE CCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874522518 XNCZJPWXYCRBJH-CVKSISIWSA-N 449.624 5.368 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C2CC2)cc1 1874523403 ORHYOLPDRXXLHJ-WYMPLXKRSA-N 447.391 6.036 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(C(C)(C)C)cc1 1874525776 FQWWFGPUEDGNFD-WPWMEQJKSA-N 428.605 6.466 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2F)c1 1874572656 YMUOVPKBISHMRD-PKNBQFBNSA-N 439.870 5.401 30 10 IKEE CCOC(=O)c1ccc(COc2c(/C=C/C(=O)c3ccccc3Cl)cccc2OC)o1 1874574780 FWWFALRSJAMGPQ-ACCUITESSA-N 440.879 5.593 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2cccc(Cl)c2)c1OCc1cccc(C)c1 1874577262 FXDIEMVECZUDRT-MDZDMXLPSA-N 427.327 6.786 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(Cl)cc2)c1OCCc1ccccc1 1874577657 ZOSPQYIXICXJCD-FMIVXFBMSA-N 427.327 6.520 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2ccc(F)cc2)cc1 1874577970 OLCSFODOIAMAMQ-CXUHLZMHSA-N 449.478 5.147 30 10 IKEE CCOC(=O)c1ccc(COc2c(/C=C/C(=O)c3ccc(F)c(C)c3)cccc2OC)o1 1874581421 NBIHIXICMJSLSL-FMIVXFBMSA-N 438.451 5.388 30 10 IKEE CCCN(CCC)C(=O)COc1c(/C=C/C(=O)c2ccc(C(C)C)cc2)cccc1OC 1874583878 LALGYHWSSSCUQV-FOCLMDBBSA-N 437.580 5.742 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccccc1OCc1c(Cl)cccc1Cl 1874586159 YSTOXSSOSVBZBT-VAWYXSNFSA-N 441.354 7.094 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccccc3C)c2)c(C)c1C 1874598204 AJTUHJOGVMNYSA-WYMLVPIESA-N 429.516 5.534 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(Cl)c2)cc1 1874616299 RZRYTPSEPFZASH-KPKJPENVSA-N 433.935 6.179 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OCC(=O)NCc1ccco1 1874624169 PFUATZSUFUBERI-NTUHNPAUSA-N 447.531 5.393 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc(OC)c1OCC(=C)C 1874626123 NJWOKNVWIQIUHV-ACCUITESSA-N 434.576 6.581 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)cc(OC)c1OCCC 1874639681 KRLZBXHWVBRXHX-ZRDIBKRKSA-N 426.509 5.134 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(C)cc(C)c1 1874668537 IURCFHDVLOZTKS-AREMUKBSSA-N 447.623 5.603 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)C(F)(F)F)c2)cc1OCCC 1874699649 GHTIGZSSAIHKMD-CSKARUKUSA-N 436.426 5.628 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2cc(C)ccc2C)cc1OC(=O)C1CCC1 1874703478 RPWBVOXXSKKWGU-MDZDMXLPSA-N 443.337 5.676 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OC(=O)c2cc3ccccc3n2C)c1 1874704480 QYNUZBFSGCRZPT-OUKQBFOZSA-N 425.484 5.611 30 10 IKEE CCc1ccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3cc(Cl)ccc3OC)c2)cc1 1874718751 VIYWHNSFRJQVJU-SDNWHVSQSA-N 448.946 6.345 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)cc1 1875100224 UHTRJMINESGXHX-KPKJPENVSA-N 428.572 6.657 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(C)c3)cc2)cc1 1875107374 NBMISWSEVOZFQA-OQLLNIDSSA-N 430.500 5.447 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@H]2CCCO2)c(Cl)c1)c1cccc(Br)c1 1875114693 QTQZVQPOKNZIHB-ZLQZBKBYSA-N 435.701 5.083 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)c1ccc(CC)cc1 1875119691 HVGOIQNEWKWJGB-FOWTUZBSSA-N 430.500 5.772 30 10 IKEE O=C(Cc1cc(Cl)ccc1Cl)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1 1875120203 HQHVETGQAPLQCS-XCVCLJGOSA-N 447.264 6.316 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2Br)c1 1875128015 JQTCQZMSFWMKEO-ZRDIBKRKSA-N 449.344 6.110 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3F)c(OCC)c2)cc1 1875130819 UALKAMSDMOVTMB-OQLLNIDSSA-N 448.490 5.667 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1 1875134486 UJMYMYDMURXGOG-MDWZMJQESA-N 441.310 6.046 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC(=O)CCCSC 1875145680 SWHVXWGJECJNJS-PKNBQFBNSA-N 428.550 5.347 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC(=O)CC(C)C 1875149143 ATGBDADBGGNBQM-XNTDXEJSSA-N 434.576 6.569 30 10 IKEE CCCC(=O)Oc1c(OCC)cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1[N+](=O)[O-] 1875171056 DAUCUFFZXJYHSA-MDZDMXLPSA-N 441.480 5.221 30 10 IKEE CCCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OC 1875176572 KWRDJWQMQIDWAV-CSKARUKUSA-N 431.326 5.676 30 10 IKEE COCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1[N+](=O)[O-] 1875184215 NYAYEGPPMHZGQN-JXMROGBWSA-N 425.481 5.039 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1)c1ccc([N+](=O)[O-])cc1 1875191319 HPHUSVKRGCWWRB-KGVSQERTSA-N 442.254 6.017 30 10 IKEE C#CCN(Cc1ccccc1)C(=O)c1ccc(Br)cc1NC(=O)OC(C)(C)C 1885428177 HWGWIHYRVBVJSK-UHFFFAOYSA-N 443.341 5.072 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CC[C@](F)(CNC(=O)OC(C)(C)C)C1 1906885945 PULXSQIDWJGFHQ-OTNCWRBYSA-N 434.596 5.161 30 10 IKEE Cc1sc(C)c([C@@H](C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)c1Br 1912168197 BYFDBHJEADURSY-GFCCVEGCSA-N 428.356 5.630 30 10 IKEE Cc1cccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)c1Br 1927302629 KIPXKGMXPWCEDP-QGZVFWFLSA-N 435.749 6.417 30 10 IKEE Cc1ccc(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 1950067230 DPNADBKBSDBFNY-RGZWJVDOSA-N 427.545 5.028 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](CSC(C)C)NC(=O)OC(C)(C)C 1975726636 JBENJSHNSZLGIL-FCHUYYIVSA-N 436.662 5.163 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@H](C#N)c1ccc(OC(F)(F)F)c(Cl)c1 1978066173 VJGMWZUPSRDMPV-QGZVFWFLSA-N 440.849 6.241 30 10 IKEE CCN[C@]1(C#N)C[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)CCC1(C)C 2037862994 KVOHWMYYKQJUND-XCZPVHLTSA-N 432.656 5.071 30 10 IKEE CN1C(=CC(=O)CSc2nc(C(F)(F)F)nc3ccccc23)C(C)(C)c2ccccc21 2040475226 CSUGHDSBSCHVAU-UHFFFAOYSA-N 443.494 5.621 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)C[C@@H](C)C1 2041559981 NWPMXJANDUVGBR-AVRWGWEMSA-N 443.588 5.666 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(Br)ccc(Cl)c1F 2063089605 BRZMYBBOHPOWNC-CZUORRHYSA-N 435.765 5.362 30 10 IKEE C=C([C@@H](NCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(C)(C)C 2071267612 RAKVKKUQUAEAOA-MUUNZHRXSA-N 429.604 7.098 30 10 IKEE CC[C@@H](c1c(C)cc(C)cc1C)n1nc(C(F)F)c(C#N)c1I 2079856426 RVLJWSWGXPHOAI-ZDUSSCGKSA-N 429.252 5.222 30 10 IKEE CC(C)Oc1ccc([C@@H](n2nc(C(F)F)c(C=NO)c2Br)C2(C)CC2)cc1 2080069320 PCUQEYPUICMQFH-MRXNPFEDSA-N 442.304 5.568 30 10 IKEE CC(=O)Oc1ccc([C@H](n2nc(C3CCC3)c(C=NO)c2Br)C2(C)CC2)cc1 2080079354 GFNXUJHBBGSBLX-IBGZPJMESA-N 446.345 5.036 30 10 IKEE CCCOc1ccc([C@H](n2nc(C(F)F)c(C#N)c2Br)C(C)(C)C)cc1 2080087543 KUVXKIYGMFWQSQ-INIZCTEOSA-N 426.305 5.879 30 10 IKEE N#Cc1c(C2CCCCC2)nn(Cc2cc(F)ccc2C(F)(F)F)c1Br 2080306147 IONFCXLVBXIZPE-UHFFFAOYSA-N 430.243 5.771 30 10 IKEE CCc1cc(Br)c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)s1 2089742351 YGZSUIOMPNSYOY-MRXNPFEDSA-N 439.350 6.218 30 10 IKEE CCc1ccc(C#N)c(Nc2ccc(Br)c(I)c2)c1 2132316856 GELQUYWJCZSDLJ-UHFFFAOYSA-N 427.083 5.231 30 10 IKEE COc1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(C)cc2)ccc1Br 2192141131 YITVRMWPYWVHLQ-GOSISDBHSA-N 431.330 5.773 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(C)c(Br)c(C)c1 2235600932 TVMKUHRTNXMKTD-AZUAARDMSA-N 437.422 5.413 30 10 IKEE CN[C@@H](C#Cc1cccc(Cl)c1)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2239567399 FMFCUYLBFIPUIY-IBGZPJMESA-N 449.776 5.762 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2cc(Br)cc(C#N)c2)C[C@H]2CCCC[C@@H]21 2240974668 ZHJJUCCFEJQHMQ-MNEFBYGVSA-N 434.378 5.301 30 10 IKEE N#Cc1cccc(Br)c1NCCCN(Cc1ccccc1)Cc1ccccc1 2241649832 CSGXMWOZMSTQML-UHFFFAOYSA-N 434.381 5.825 30 10 IKEE C=C(C)CCCC[C@H](NC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2287381116 WBSVVZVAAIMKGG-VQTJNVASSA-N 439.438 5.609 30 10 IKEE COc1c(Cl)cc(C=C2SC(=Nc3ccc(F)cc3)NC2=O)cc1Br 2293999041 RVNBOSOVKSPVIU-UHFFFAOYSA-N 441.709 5.142 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(CSc3nc4ccccc4[nH]3)c2)cc1 2295971085 CXGDABXXZBWRFX-UHFFFAOYSA-N 430.529 5.769 30 10 IKEE O=C1C(=Cc2ccc([N+](=O)[O-])cc2)Oc2cc(OCc3c(F)cccc3Cl)ccc21 2296868060 RLPYNORBJGAMLM-UHFFFAOYSA-N 425.799 5.583 30 10 IKEE CCCCCCCCOc1ccc(NC=C2N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1 2297413352 ACZPKOGLEXCFJW-UHFFFAOYSA-N 437.496 5.591 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2302804743 XFADTVMRGLOBQL-XUVXKRRUSA-N 429.561 5.404 30 10 IKEE C=CCN1C(=O)C(=Cc2cccc(Cl)c2)SC1=Nc1nc(-c2ccccc2)cs1 2314543973 QDADWIPBCWQVBO-UHFFFAOYSA-N 437.977 6.254 30 10 IKEE N#Cc1ncc(Br)cc1Oc1cc(Br)cc(Br)c1 2316763522 BUFHXPSSTLIGSL-UHFFFAOYSA-N 432.897 5.033 30 10 IKEE CCCN[C@H](C#C[C@H](OC)C1CCCC1)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 2320498380 WYCBRWPPKMUSJF-RPBOFIJWSA-N 442.644 5.391 30 10 IKEE COc1ccc(C=Nn2c(S)nnc2C2CCCC2)cc1OCc1ccc(Cl)cc1 2321928061 RYEOPAQRLGWRFM-UHFFFAOYSA-N 442.972 5.348 30 10 IKEE COc1ccc([C@@H](C)N2COc3cc(C)c4c(c3C2)OC(=Cc2cccc(F)c2)C4=O)cc1 2322244759 ZRDQUVJHIVPVBB-QGZVFWFLSA-N 445.490 5.672 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccccc1C=CC(=O)c1cccc([N+](=O)[O-])c1 2322307780 JZVLOAOUQOYCOK-UHFFFAOYSA-N 430.460 5.125 30 10 IKEE COc1cccc(C=CC(=O)c2ccc3ccccc3c2)c1OCc1cccc(Cl)c1 2322328461 RZOMFIHWAHZBQH-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE O=C(C=Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccc(F)cc1F 2322492725 YYCDCKHQDAMUJW-UHFFFAOYSA-N 434.869 7.247 30 10 IKEE COc1c(Br)cc(Br)cc1C=CC(=O)c1ccc(F)cc1F 2322501309 NMJBVOZVOFSNOV-UHFFFAOYSA-N 432.058 5.395 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OCc1c(Cl)cccc1Cl 2323279789 NDXMOGFNVGTPNU-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)c4ccc(C(F)(F)F)cc4)cc(C)c3C2=O)c1 2323352601 RWYXRMWKTWNWCZ-UHFFFAOYSA-N 438.401 6.158 30 10 IKEE CC(C)c1ccc(C=C2Oc3cc(OC(=O)C(Cl)=Cc4ccccc4)ccc3C2=O)cc1 2323438341 VMEUBIQSXXKKNI-UHFFFAOYSA-N 444.914 6.612 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc2c(c1)OC(=Cc1c(Cl)cccc1Cl)C2=O 2323485248 FFFFNAPWGKGYOB-UHFFFAOYSA-N 431.315 6.485 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(OC)c(OCc3ccc(C)cc3)c(OC)c2)cc1 2323536823 RSLZACPVVLXODO-UHFFFAOYSA-N 444.571 6.830 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(OC)c1OCc1ccccc1C 2323800643 GRPDMVPPURZGRW-UHFFFAOYSA-N 432.947 6.861 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)c1 2323854444 BOBRGBZYJJCDCR-UHFFFAOYSA-N 432.859 5.740 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(C=CC(=O)c3cc(C)ccc3OC)cc2)cc1 2323990985 FKHRENGRCIJHCO-UHFFFAOYSA-N 429.516 5.480 30 10 IKEE CCCOc1c(Br)cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1OCC 2324356123 FSWBLABLWYMXBC-UHFFFAOYSA-N 445.397 6.766 30 10 IKEE Cc1cc(O[C@H](C)C(=O)Nc2cccc(Cl)c2C)cc2c1C(=O)C(=Cc1ccco1)O2 2324431286 TVTCTDUHGDIXCY-OAHLLOKOSA-N 437.879 5.572 30 10 IKEE Cc1cccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccc(Cl)cc4)ccc3C2=O)c1 2324610133 SZNHXKZXDCJRMP-MRXNPFEDSA-N 433.891 5.671 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(F)cc3)n2)c2ccccc12 2324840824 CFTOXBDOGUZGCR-NRFANRHFSA-N 428.488 6.001 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1cccc([N+](=O)[O-])c1 2325532341 UGGYJVOSRGESRE-UHFFFAOYSA-N 445.548 5.857 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCC(=O)Nc4cc(Cl)ccc4C)cc(C)c3C2=O)c1 2325723743 CAVWJALQMRNVHM-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1)c1cccc(Cl)c1 2325728702 PNWOSUDSUZZVLO-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE COCCC(=O)Oc1cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)ccc1OC 2325754454 YNGZNKUPYWMAAY-UHFFFAOYSA-N 432.472 5.326 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2cccc(OC(=O)Cc3cccs3)c2)c1 2325758154 VSXUDHSKYDVRAW-UHFFFAOYSA-N 436.529 5.590 30 10 IKEE CSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1ccc(N(C)C)cc1 2325882667 QVLCVGRSJVTXRQ-UHFFFAOYSA-N 445.592 5.113 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1ccc(OC)cc1OC 2326458405 RPGAZCAYCZLRDN-UHFFFAOYSA-N 438.597 5.429 30 10 IKEE C(=Nn1c(CCc2cccc3ccccc23)nnc1SCc1ccccc1)c1ccncc1 2326596881 BGEUEUSQVRMKES-UHFFFAOYSA-N 449.583 5.786 30 10 IKEE Cc1ccc(COc2ccccc2C=Nn2c(C)nnc2SCc2cccc(F)c2)cc1 2326727316 KJRUBZSVNQXNLM-UHFFFAOYSA-N 446.551 5.788 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1ccc(C(C)C)cc1 2328567497 WALNSRYMISQUDF-UHFFFAOYSA-N 434.609 5.941 30 10 IKEE Cc1cccc(CSc2nnc(CCOc3ccccc3)n2N=Cc2cccs2)c1 2329167492 JQOSZBRVFNRPPG-UHFFFAOYSA-N 434.590 5.444 30 10 IKEE Fc1cccc(C=Nn2c(SCc3ccccc3F)nnc2-c2ccccc2Cl)c1 2329576924 QDWMBDRZOZJBFM-UHFFFAOYSA-N 440.906 6.051 30 10 IKEE Cc1ccc(C=Nn2c(Cc3ccc(C)cc3)nnc2SCc2ccccc2F)cc1 2329992662 PNLXKXAGHJIGIQ-UHFFFAOYSA-N 430.552 5.799 30 10 IKEE Oc1ccccc1C=Nn1c(CC2CCCCC2)nnc1SCc1cccc(Cl)c1 2330290033 JKZKSPWPLKXPKJ-UHFFFAOYSA-N 441.000 5.934 30 10 IKEE O=C(COc1ccccc1)Oc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl 2330625389 GVYUYCVEXNLBKD-UHFFFAOYSA-N 437.835 5.129 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(CC)cc3)cc2Cl)cc1 2330743699 VCDAEUKJKOSDSH-UHFFFAOYSA-N 448.946 6.345 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Br)cc2)cc(OC)c1OC(=O)C1CCC1 2330886061 IRCUMVCUYUFJKU-UHFFFAOYSA-N 445.309 5.068 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Br)c2)ccc1OC(=O)c1ccco1 2331005428 OCAQSCWGVUSPLQ-UHFFFAOYSA-N 441.277 5.556 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2cccc(C)c2)nnc1C(F)(F)F 2331122583 HGAVABUVDCVOPD-UHFFFAOYSA-N 434.487 5.569 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(C=CC(=O)c2ccccc2)cc1[N+](=O)[O-] 2331170381 FPPNJIOXBDBBJW-UHFFFAOYSA-N 431.444 5.038 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)c1ccccc1[N+](=O)[O-] 2331183508 WUYCDHYOKHXBBM-UHFFFAOYSA-N 443.455 5.447 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)CC(C)(C)C)c(Br)c2)ccc1F 2331337843 FUPUEQVPLLVSOJ-UHFFFAOYSA-N 433.317 6.134 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC(=O)C(F)(F)F 2331430070 IDGDBYFEFISBLD-UHFFFAOYSA-N 446.465 6.085 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(CC(C)C)n1N=Cc1sccc1C 2331432127 RTXOYHRNZPKFTG-UHFFFAOYSA-N 441.626 5.022 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2OC)cc1 2331509749 CHAUFQKUXIKLDS-UHFFFAOYSA-N 428.528 6.496 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)cc3)cc2)cc1C(C)C 2331571700 ZDERPAUVJZUZPC-UHFFFAOYSA-N 446.518 6.310 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)C(c3ccccc3)c3ccccc3)cc2)cc1C 2331704606 KBSBTJUCWADBSJ-UHFFFAOYSA-N 446.546 6.937 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C(C)C)cc1 2331708294 BFLDSPNHNCTAST-UHFFFAOYSA-N 435.380 5.891 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)[C@@H]1CCCO1 2331801062 VLIHUBUPKCBGBL-DEOSSOPVSA-N 436.548 5.672 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3)c([N+](=O)[O-])c2)cc1C 2331851503 HISXUYIPPZELSH-UHFFFAOYSA-N 445.471 5.264 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@H](C#N)c1c(Cl)ccc(Cl)c1Cl 2339168310 XULKDBAKGOCCST-AWEZNQCLSA-N 431.772 6.710 30 10 IKEE CC1(C)C[C@H](N(Cc2ccccc2)c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CO1 2339582959 SZGRRTNPZHGEHK-FRFYRWIFSA-N 434.389 5.300 30 10 IKEE CO[C@@]1(C)C[C@@H]2C[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2356217902 BCYKYHBRSFRDEJ-LATRNWQMSA-N 435.362 5.288 30 10 IKEE C=CCC[C@@H](C)[C@@H](OCCC(=O)O)c1sc(Cl)cc1I 2366703766 GGGYIMAZUNZKRA-NOZJJQNGSA-N 428.719 5.141 30 10 IKEE Cc1cc(CN(C)[C@H]2CC(C)(C)[C@@H]2OCc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2369722888 CGXRGGLJGXJRPX-LOSJGSFVSA-N 449.444 5.110 30 10 IKEE COc1ccc(/C=C2/Oc3cc(OCc4ccc(C)cc4)ccc3C2=O)c(OC)c1OC 2102673 DNRUZMBZIWTRPE-YDZHTSKRSA-N 432.472 5.216 30 10 IKEE O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)O/C(=C/c1ccccc1Br)C2=O 2401807 UZGXCFBVMMFFJD-IRMYMQKMSA-N 447.284 5.684 30 10 IKEE CCOC(=O)C1=C(Nc2cccc3ccccc23)S/C(=C\c2cccc(OC)c2)C1=O 6378671 NJQDWCYGUVJUHM-QNGOZBTKSA-N 431.513 5.392 30 10 IKEE CCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(-c4cccc(Cl)c4)nn32)cc1 9731848 NJAVUQHUCUXTIU-QFIPXVFZSA-N 448.954 5.655 30 10 IKEE CCCCCSc1nc2n(n1)[C@@H](c1cccc(Br)c1)C1=C(CCCC1=O)N2 20092742 ANEUSOATTOFUFB-SFHVURJKSA-N 447.402 5.345 30 10 IKEE O=C1/C(=C\N(C(=O)c2ccco2)c2ccc(Br)cc2)Sc2ccccc21 33305336 DALYEYYKQBDCGB-LDADJPATSA-N 426.291 5.519 30 10 IKEE C=CCOc1cccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccccn2)c1 35514458 FCIYQDIOKJAUAL-XMMPIXPASA-N 438.483 5.119 30 10 IKEE COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1c2ccccc2cc2ccccc12 58949771 MLZIUNWMAZURMC-QHCPKHFHSA-N 427.500 5.093 30 10 IKEE O=C(Nc1ccccc1)c1c(/N=C/c2ccc(Br)o2)sc2c1CCCC2 59198988 TWJAHMHVXXYYJA-WSDLNYQXSA-N 429.339 5.985 30 10 IKEE C=CCSc1ccccc1NC(=O)CSc1nnc(C2CCC2)n1-c1ccccc1 59907378 PZFQILBODMKLNO-UHFFFAOYSA-N 436.606 5.544 30 10 IKEE C=C(C)COc1ccc(NCC(=O)Nc2cccc(C(=O)N(CC)c3ccccc3)c2)cc1 66062223 ZCKLXDNJQAOTDM-UHFFFAOYSA-N 443.547 5.359 30 10 IKEE Cc1ccc(C(=O)/N=C(/NCCc2c[nH]c3ccccc23)Nc2cccc(F)c2)cc1F 66437811 PCWAVAMTWDJTOA-UHFFFAOYSA-N 432.474 5.195 30 10 IKEE Cc1nc2ccc([N+](=O)[O-])cc2c(-c2ccccc2)c1C(=O)/C=C\c1ccc2c(c1)OCO2 98006590 ZIHDJTLTMKKKEZ-XFFZJAGNSA-N 438.439 5.743 30 10 IKEE CCCCCCCOc1cccc(NCC(=O)Nc2ccc(C(=O)N(CC)CC)cc2)c1 100090202 ZUAPKKMEJGNMSX-UHFFFAOYSA-N 439.600 5.568 30 10 IKEE CN1C(=O)C[C@@H](C(=O)Nc2ccc(Cl)cc2)S/C1=N\c1ccc(Cl)c(Cl)c1 100262806 MTQVZOZAOVUUOH-ACNSNUFOSA-N 442.755 5.237 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(Nc2cccc(C)c2)c1N 101531619 WXTDJRRILYSVLF-UHFFFAOYSA-N 439.692 8.004 30 10 IKEE Cc1cccc(C)c1/N=C1/c2ccccc2C2=NC(=O)N[C@](c3ccccc3)(C(F)(F)F)N21 102715562 PDPNBRKRUUTBAI-GDAFIIBNSA-N 448.448 5.582 30 10 IKEE COc1ccc2c(c1)c(/C=C1\Oc3cc(OC/C=C\c4ccccc4)ccc3C1=O)cn2C 102721187 OENFZVOFWPXJOD-IUDWHAITSA-N 437.495 5.895 30 10 IKEE CCCCCCCCCC(=O)N(CC(=O)Nc1nc(-c2ccccc2)cs1)CC(C)C 102997779 YHBBXKZNCDKMDP-UHFFFAOYSA-N 443.657 6.374 30 10 IKEE N#CCCn1cc(/C=C/C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)c2ccccc21 106030344 IQLKGVWMUVFKCJ-MIFWMJNYSA-N 449.558 5.007 30 10 IKEE Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@H](C#N)c1ccc(F)cc1F 111222359 WHRSVFDONJPFTN-QGZVFWFLSA-N 445.878 5.235 30 10 IKEE CCCCCCCCOc1ccc(-c2ccc(OCCCCCCCC)cc2F)cc1 143004648 DOWSBSNFRHNAPI-UHFFFAOYSA-N 428.632 8.971 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccc(C)cc2C)cc1 169925939 OMMJHCUDOMEQOO-NRFANRHFSA-N 448.544 5.168 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1ccccc1C 169946212 YJDLOZUFJZKQLV-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@H]2c2ccccn2)cc1C 169992182 FMERKROONSEXLP-DEOSSOPVSA-N 440.543 5.779 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(O)c(Cl)c2)c1 170043904 XUCIRPGXOQZNID-OAQYLSRUSA-N 425.912 5.183 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccc(F)cc2)cc1 170061431 ZYDDQIPRABMARP-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1c[nH]c2ccccc12 170078113 HWJQQPFHJMBWKQ-HSZRJFAPSA-N 430.504 5.088 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(C)c2)cc1 170142227 WXOANSRWWCRFIM-CJAUYULYSA-N 439.511 5.410 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2ccccc2OC(C)C)c1 170151134 BAOJPQWCIIYTKX-QHCPKHFHSA-N 437.536 5.251 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(C)c4)[C@H]3c3cccs3)oc12 170156740 OYBNVDBTDQLWAW-NRFANRHFSA-N 445.496 5.594 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1cccnc1 170184214 XXGXAIXSNFMANX-QHCPKHFHSA-N 444.506 5.610 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1cccnc1)c1ccc2c(c1)CCCC2 170184431 TUFXHSKCFYLKCN-HSZRJFAPSA-N 446.453 5.022 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2cccnc2)cc1C 170189034 INEROUSGYJWHIW-QFIPXVFZSA-N 448.906 5.225 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccccc2)cc1 170224434 ZCUBGUHKJIKLKM-GKVSMKOHSA-N 439.511 5.355 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(F)cc2)c1 170239464 DCAHCEGUTRDQOE-HSZRJFAPSA-N 431.463 5.396 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccc(O)c2)c1 170259091 UZNJFEDEZISGQE-JOCHJYFZSA-N 449.890 5.227 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1cccc(O)c1)c1ccc2c(c1)CCCC2 170259159 DJNPKUORXFCPRB-XMMPIXPASA-N 425.484 5.054 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2C2CCCCC2)cc1 170266735 GUSXNYHHZKHBDO-SSOJOUAXSA-N 445.559 5.483 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1c1ccccc1O 170271727 ZHCNOKQYTWQCQS-XMMPIXPASA-N 443.499 5.271 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccco2)c1 170279043 NZMCPTBIMOBMHV-QFIPXVFZSA-N 429.428 5.207 30 10 IKEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(Cl)c4)[C@H]3c3ccco3)ccc2O1 170287071 ZCEMTKLITSPMNT-ASSNKEHSSA-N 435.863 5.039 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2ccco2)c1 170290529 RSYYTKKQKFXQTM-IBGZPJMESA-N 445.805 5.003 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(O)c(Cl)c2)cc1 170367640 SBEJAELYQIIETJ-QFIPXVFZSA-N 433.891 5.391 30 10 IKEE CCOc1cccc(CN2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 170471930 KFUAVOSPQAKMQP-QHCPKHFHSA-N 449.591 5.894 30 10 IKEE C=C1/C(=C\C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)(C)O)C[C@@H](O)C[C@H]1O 199059155 ZGLHBRQAEXKACO-ASYRLTKASA-N 428.657 5.727 30 10 IKEE in-vitro Cc1ccc(N=C2S/C(=C3\C(=O)N(C)c4ccccc43)C(=O)N2c2ccc(C)cc2)cc1 252640703 YWMICQGFRCHBFS-SHXUIJRESA-N 439.540 5.459 30 10 IKEE C(=NN1CCN(Cc2cccc3ccccc23)CC1)c1cccc(OCc2ccccc2)c1 254500435 ADDABRJJDSQJPT-UHFFFAOYSA-N 435.571 5.571 30 10 IKEE COc1ccc(N=C2Sc3nc4c(C)cccc4cc3CN2Cc2ccccc2)cc1 254565426 CKWRJAISLCNMDH-UHFFFAOYSA-N 425.557 6.347 30 10 IKEE Cc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccccc1COc1ccccc1 526815673 IHEKETDDQCMWIG-YSMPRRRNSA-N 448.979 5.993 30 10 IKEE CCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1cc(Br)ccc1O 526818504 MGVCBLMRKZWDIG-JJFYIABZSA-N 445.386 5.100 30 10 IKEE CCc1ccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2cccc(F)c2)cc1 526825827 LCLWCQIJBOEQDN-VEILYXNESA-N 444.579 5.939 30 10 IKEE CCCCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1/N=C\c1sccc1C 526831530 SXOAWEOHOFNBRQ-UUYOSTAYSA-N 446.598 5.323 30 10 IKEE N#Cc1cc(NCc2cc(Br)cc(Br)c2)ccc1Br 690206401 YJLWDILILMGKNC-UHFFFAOYSA-N 444.952 5.458 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)CC1 704042524 KPPSZLCIQPJCPX-QHCPKHFHSA-N 449.979 5.765 30 10 IKEE 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)c1ccccc1F 710780379 YUDMOTJUSRVTSD-QILBDFMCSA-N 445.535 5.105 30 10 IKEE C=CC[C@@H](C)[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCCC 715791206 XOJXFEKWQNULQI-VWNXMTODSA-N 443.676 5.516 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@]1(C#N)C[C@@H]2C[C@@H](CN2Cc2ccccc2)C1 716637710 NCOVGZVCDDIVEW-CZSZKKDXSA-N 437.609 5.432 30 10 IKEE C=CCOC(=O)/C=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 1083898359 QXTVNFYADUUBJE-YVMONPNESA-N 442.136 6.077 30 10 IKEE CC/N=C1/S/C(=C\c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1CC 1084004813 LKAFLXKTZVHHHU-FRODBLILSA-N 448.548 5.218 30 10 IKEE CCCC[C@H](CC)OC(=O)CSc1n[nH]c(NN=Cc2ccc(Cl)cc2Cl)n1 1084522559 KTMBWSMEZGULQS-AWEZNQCLSA-N 444.388 5.162 30 10 IKEE O=C1SC(c2ccccc2)=C(C(=O)c2ccccc2)C1=C(c1ccccc1)c1ccccc1 1088699649 ORNSFEORMSYLAR-UHFFFAOYSA-N 444.555 7.056 30 10 IKEE Cc1ccc(-n2c(C)cc3c2CC(C)(C)CC3=NOC(=O)Nc2cccc(Cl)c2)cc1C 1772728565 QKBCDKCEPJEQOO-UHFFFAOYSA-N 449.982 6.981 30 10 IKEE Cc1csc(N=C2S/C(=C/C(Cl)=C\c3ccccc3)C(=O)N2c2ccccc2)n1 1772740488 YNGIRZZDUYZHRU-SMAHJHQWSA-N 437.977 6.383 30 10 IKEE O=C(/C=C/c1ccc(F)c(Br)c1)C(=O)N(Cc1ccccc1)c1ccccc1 1860635513 LTVZARDNUGFSGL-WYMLVPIESA-N 438.296 5.404 30 10 IKEE N#Cc1cccc(C(=O)Oc2ccc(C3=CCN(C(=O)CCC4CCCCC4)CC3)cc2)c1 1860677747 QWAFTGCFJMRITD-UHFFFAOYSA-N 442.559 5.754 30 10 IKEE O=C(/C=C/c1ccc(F)c(Br)c1)C(=O)Nc1ccc(Nc2ccccc2)cc1 1860726677 ZYCFUAOPVXSKFT-NTUHNPAUSA-N 439.284 5.553 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](NC(=O)c1c(Cl)ccc(Cl)c1Cl)c1ccccc1 1861963278 RNZTXLMBBHFWHC-LJQANCHMSA-N 437.754 5.319 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccccc1 1862379740 JNCLXCXFUAQDBV-HXUWFJFHSA-N 448.346 5.387 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862405512 CTPLAKUMHTXTDD-FQEVSTJZSA-N 447.453 5.401 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCCOC(C)C)c1 1862428918 APEBGLHAQAGZBX-NRFANRHFSA-N 427.928 5.042 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2Cl)[C@H]1c1ccccc1)c1cccc(Cl)c1 1862441366 GLBPRERFXVVJDK-NRFANRHFSA-N 438.310 5.772 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(O)cc1 1862441715 BZLDUMBSJUGPKW-NYHFZMIOSA-N 433.891 5.385 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(O)cc2)cc1 1862474873 XNBCFSOITFARRL-IQGLISFBSA-N 441.527 5.603 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2ccccc2C)cc1 1862475851 VXFQEYARUYIPAH-VWLOTQADSA-N 425.528 5.699 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccccc2C(=O)O)cc1 1862476505 BAEXKMVZRHDHQY-UZUQRXQVSA-N 441.483 5.033 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1O 1862480733 NGEHEMBKCUJZOY-MZNJEOGPSA-N 443.499 5.049 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2c(Cl)cccc2Cl)cc1 1862482564 QZNRPQUDKSEKEM-NRFANRHFSA-N 444.358 6.213 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC)cc1OCC 1862484961 WZCPYFQNVHUNDV-QHCPKHFHSA-N 437.536 5.171 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1c(Cl)cccc1Cl 1862667623 GWBGIFLMTXPPSQ-HXUWFJFHSA-N 432.347 6.105 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCc2ccccc2)cc1 1862713485 PNBGGAVLJLGMKV-MHZLTWQESA-N 447.534 5.969 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2[C@@H](C)CC)c1 1862720460 WQKHIWFMUJSDGS-AVRWGWEMSA-N 443.543 6.005 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccc(C)c(Cl)c3)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1863030894 QNJWVPQRCSIJSW-UHFFFAOYSA-N 441.918 5.534 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc([N+](=O)[O-])cc2C)=C(c2cccs2)C1=O 1863482974 UQNQUPVJULKCDX-UHFFFAOYSA-N 441.553 5.517 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)c2ccccc2C(=O)c2ccccc2)c1 1865887569 MHVJKKNVZHKERE-UHFFFAOYSA-N 444.490 5.581 30 10 IKEE C[C@@H](CC(=O)N[C@H](C(=O)Nc1cccc(C#N)c1)c1ccccc1)c1cccc(Cl)c1 1867186075 AORYLWVQRHYENH-XDHUDOTRSA-N 431.923 5.201 30 10 IKEE C[C@H](CC(=O)N[C@H](C(=O)Nc1ccc(C#N)cc1)c1ccccc1)c1cccc(Cl)c1 1867188622 XDMCXMWZACEAOH-OSPHWJPCSA-N 431.923 5.201 30 10 IKEE COc1cc(/C=C/C(=O)N[C@H](C#N)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 1868019848 DOOJGCCXHQXMGF-QKIKOGAMSA-N 446.934 5.630 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](CCCC)NC(=O)[C@H](c1ccc(Cl)c(Cl)c1)C(C)C 1868866128 RXTVNGAAKSSTSB-SFTDATJTSA-N 439.427 5.609 30 10 IKEE CCCCC1CCC(C(=O)Nc2c(C#N)nnn2Cc2ccc(Cl)cc2Cl)CC1 1870112260 WJIHIHKOSZFMTI-UHFFFAOYSA-N 434.371 5.440 30 10 IKEE CCCCCCOc1cn(CC(C)C)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870186480 JCDFPUWCJQGXKS-UHFFFAOYSA-N 441.641 5.948 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(Cl)cc2)c(CN(CCC)CCC)cc1=O 1870414400 OCRMKFCAKKKRBJ-UHFFFAOYSA-N 447.063 6.521 30 10 IKEE CCCCCCCCn1cc(OCCCc2ccccc2)c(=O)cc1CN(CC)CC 1870688438 NAYVMVIHKMSAJA-UHFFFAOYSA-N 426.645 6.062 30 10 IKEE CCCCCCCCn1cc(OCC(C)C)c(=O)cc1CNc1cccc(Cl)c1C 1870857983 ORCFERFDRIQGHF-UHFFFAOYSA-N 433.036 6.818 30 10 IKEE COc1ccc([C@@H](C)N2COc3c(cc4c(c3C)O/C(=C\c3ccc(C)cc3)C4=O)C2)cc1 1871359598 RTBXNVILTIPGCA-WEPUMBSASA-N 441.527 5.841 30 10 IKEE Cc1c(OC(=O)/C=C/c2cccs2)ccc2c1O/C(=C\c1c(F)cccc1Cl)C2=O 1871381127 PGLHFBOYQHUHKP-NMSZSRSNSA-N 440.879 6.084 30 10 IKEE O=C(O)/C=C/c1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871382350 QOXKVMMVLNZJNG-OLNXSBFISA-N 438.435 5.176 30 10 IKEE Cc1cc(OC(=O)c2ccc(-n3cccc3)cc2)cc2c1C(=O)/C(=C/c1ccc(F)cc1)O2 1871383460 BFZRFOKCTKNODW-IWIPYMOSSA-N 439.442 5.760 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccccc4)ccc3C2=O)cc1 1871385413 RBTLKIYFWOSZRO-RNIFWALPSA-N 439.511 5.768 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OCC(=O)N[C@H](C)c3ccccc3)cc(C)c2C1=O 1871422368 XRSILMHYOIJHBV-QHSFOXILSA-N 427.500 5.176 30 10 IKEE CCCNC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 1871444506 GLUNCRXYOBBCQS-JLPGSUDCSA-N 427.500 5.183 30 10 IKEE CCCCCCCCCCN=c1nc(N(CC)CCCC)[nH]c(=Nc2ccccc2C)[nH]1 1871484987 QJJNTDSNQUTLEK-UHFFFAOYSA-N 440.680 5.946 30 10 IKEE N#C[C@H](C(=O)c1cccc(Oc2ccccc2)c1)c1nc(-c2ccc3c(c2)OCO3)cs1 1872773204 KWLXOQMMDXTASB-HXUWFJFHSA-N 440.480 5.821 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@H](C#N)C(=O)Cc3ccc(OC)cc3)n2)c1 1872781088 OSBJYZZLENFCST-HXUWFJFHSA-N 436.533 5.035 30 10 IKEE CCc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2ccc(OC)c(Cl)c2)cs1 1872789309 DWVYCTRFIXTECH-MRXNPFEDSA-N 426.925 5.290 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H]2CCCC[C@@H]2C)=C(c2ccc(F)c(C)c2)C1=O 1873152591 IQYYBUAPSSDREX-AVRDEDQJSA-N 428.592 5.743 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)cc2c(NCc3ccccc3F)ncnc21 1873636929 FWJKZPVKRNDYOR-UHFFFAOYSA-N 429.499 5.238 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCC=C)n1/N=C/c1ccccc1Cl 1874228244 AAJDNVVDKZBGEH-BUVRLJJBSA-N 440.956 5.236 30 10 IKEE CCCSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1cn(C)c2ccccc12 1874253997 QOATXWNESLALRT-YZSQISJMSA-N 447.608 5.474 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2O)c(C)c1 1874327192 BJZGLTZIVGYLHO-CVKSISIWSA-N 444.560 5.354 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccc(Cl)cc3)n2/N=C/c2ccncc2)c1 1874342944 RAKIDBZBPKKTCV-JFLMPSFJSA-N 447.995 5.709 30 10 IKEE O=C(O)c1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2Cl)cc1 1874367000 FTJOIRFMWPGRGJ-AFUMVMLFSA-N 448.935 5.471 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccccc2F)n1/N=C/c1cccc(O)c1 1874373902 XUDAEYHJTQLHRY-CVKSISIWSA-N 432.524 5.197 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C/c2sccc2C)cc1 1874396846 SKARORHHMXDYLR-PCLIKHOPSA-N 432.618 5.916 30 10 IKEE Fc1ccccc1/C=N/n1c(CCc2ccccc2)nnc1SCCc1ccccc1 1874403498 DFFCHVJZSADETL-ZXVVBBHZSA-N 430.552 5.419 30 10 IKEE CC(C)c1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2)cc1 1874416764 GUQTVRYFZVCUQD-OVVQPSECSA-N 426.589 6.167 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2ccccc2F)cc1 1874427028 MPZOUWGAMKJGHY-CVKSISIWSA-N 445.523 5.006 30 10 IKEE Clc1cccc(Cl)c1/C=N/n1c(SCc2ccccc2)nnc1[C@H]1CCCO1 1874446111 SWVKQMZMTBWRCF-BYWZACNXSA-N 433.364 5.611 30 10 IKEE Cc1cccc(CSc2nnc(C(F)(F)F)n2/N=C/c2cn(C)c3ccccc23)c1 1874459444 NPSZWDJKUDHNOQ-OPEKNORGSA-N 429.471 5.272 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccc(Cl)cc1 1874482765 MGHKGMJPNDZZMQ-WSDLNYQXSA-N 429.933 5.312 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2ccccc2C)c1 1874494165 SOZBFNGCSAARIT-AFUMVMLFSA-N 433.581 5.084 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(C(C)C)n1/N=C/c1c[nH]c2ccccc12 1874510796 ZWNVDIOSFBHOIY-VULFUBBASA-N 446.580 5.058 30 10 IKEE CCSc1nncn1/N=C/c1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 1874537688 QGNHBWYHXHHRPK-AUEPDCJTSA-N 437.352 5.167 30 10 IKEE Sc1nnc(C2CCC2)n1/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 1874559336 LFARXQSHWCPPJC-FOKLQQMPSA-N 433.364 5.602 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(Br)cc2)c1OCCc1ccccc1 1874574618 WNWFLASXESWMGX-NTCAYCPXSA-N 437.333 5.975 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl)c1ccccc1Cl 1874575166 ZDHUONYCVFGBTC-CSKARUKUSA-N 435.709 7.261 30 10 IKEE C=C(C)COc1c(/C=C/C(=O)c2cc(OC)ccc2OC)cc(Br)cc1OC 1874580905 LUFRAIWPBCELRY-SOFGYWHQSA-N 447.325 5.326 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2c(C)cc(C)cc2C)c1OCc1ccc(C)cc1 1874589989 NHFOJWOTMOFHDM-ZHACJKMWSA-N 434.963 7.057 30 10 IKEE CCOc1c(Br)cc(/C=C/C(=O)c2ccc(F)cc2F)cc1Br 1874611979 VKMVARIYZFEMHV-ZZXKWVIFSA-N 446.085 5.785 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1)c1ccc(Cl)c(Cl)c1 1874615930 UXNVAUHQPATGAM-XBXARRHUSA-N 435.709 7.261 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc(Cl)c1OCc1ccccc1 1874621334 DFZQDLSBFRAWRK-PKNBQFBNSA-N 440.898 6.362 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OCc1cccc(Cl)c1 1874627674 QBKUEHIGHYIJGZ-UXBLZVDNSA-N 428.862 6.492 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OCc3ccccc3Cl)c([N+](=O)[O-])c2)c1C 1874629309 WQHNINHBCMHGHI-PKNBQFBNSA-N 449.934 6.957 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3c(C)ccc(C)c3C)c2)cc1 1874697700 LFDRESWATJBUPH-XNTDXEJSSA-N 430.500 5.501 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCCOc3cccc(C)c3)c2)cc1 1874698110 WJFBCUMXGWQHEU-LFIBNONCSA-N 430.500 5.664 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(Br)cc3)c2)c(C)c1 1874701892 CNBGMQNCNXJQRI-UKTHLTGXSA-N 449.344 6.110 30 10 IKEE O=C(CCc1ccccc1)Oc1cccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)c1 1874712330 FKSQIIGVTSWUNO-XSFVSMFZSA-N 448.518 6.913 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(C)cc3)c2)c(OCC)c1 1874714591 DWNVKJBICOSHNJ-DTQAZKPQSA-N 444.527 5.837 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)CCCSC 1875097921 KBOMJLVDLNHENR-GXDHUFHOSA-N 438.589 5.909 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1Cl 1875113765 WZAXXBQFEIQPLE-JLHYYAGUSA-N 425.311 6.428 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)c1cccnc1 1875122013 DTARWQVFHNPJMS-JXMROGBWSA-N 435.426 5.212 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)Cc1ccccc1Cl 1875140346 BGEODKYTKQWPPY-ACCUITESSA-N 448.946 6.400 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCC23CN(C(=O)OC(C)(C)C)C3)c1 1918324774 ZHEHHHCDTCAUOX-RUZDIDTESA-N 441.572 5.420 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)C3CCCC3)[C@H]2C1 1944457960 JNUOCVHMJKYAPH-KDLAUNOPSA-N 433.593 5.095 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)[C@@H]2C[C@H]21 2008448530 LNXLHLHJACBEFD-OMXJDXKCSA-N 447.963 5.373 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CC12CCC(C#N)(N(C(=O)OC(C)(C)C)c1ccccc1)CC2 2030099236 CLTVPRSFEAZSSS-PNEAOOGRSA-N 441.572 5.548 30 10 IKEE CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2032542388 VHFFTMSVKQDLRN-KBMIEXCESA-N 443.588 5.748 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)CC12CCCCC2 2037749144 NIMCYCWFOKVEDM-JOCHJYFZSA-N 448.568 5.140 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@@]2(C)CCN2C(=O)OC(C)(C)C)cc1 2045192625 QSDIVFXGKUXMHQ-RPWUZVMVSA-N 445.560 5.118 30 10 IKEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(N(Cc2ccccc2)[C@@H](C)c2cccs2)n1 2052616648 SKSBLFFATNPRSM-IBGZPJMESA-N 434.414 5.519 30 10 IKEE C[C@H](c1ccc(C2CCC2)cc1)n1nc(C(C)(C)C)c(C#N)c1I 2079980063 YOZUEDKUUHBDJS-CYBMUJFWSA-N 433.337 5.534 30 10 IKEE ON=Cc1c(C2CCC2)nn([C@H](c2ccc(C(F)(F)F)c(F)c2)C2CCC2)c1Cl 2080002670 AXAHABOPQPUWKH-SFHVURJKSA-N 429.845 6.160 30 10 IKEE CCCOc1ccc([C@@H](C2CCC2)n2nc(C(F)F)c(C=NO)c2Br)cc1 2080089209 VIQKQCDFNXBRME-QGZVFWFLSA-N 442.304 5.570 30 10 IKEE C=CCCCCCCCC[C@@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NC 2086264036 NZEPCOFSRGHJMW-LOSJGSFVSA-N 446.676 6.381 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)Nc2ccc(Br)c(Cl)c2C)C1 2138176035 MXUUWUZDYJWXPD-UHFFFAOYSA-N 443.769 5.211 30 10 IKEE CC1(C)CC[C@@H](CNc2cc(Br)c(C#N)cc2F)N(C(=O)OC(C)(C)C)C1 2162383116 IMNOSZVEIFIMDR-AWEZNQCLSA-N 440.357 5.297 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)[C@@H]1C[C@H]1C1CCOCC1 2200289574 BCUNIMQAEPIXIL-IPMKNSEASA-N 435.362 5.145 30 10 IKEE C=CCCCCCCC[C@H](CCN(Cc1ccccc1)C(=O)OC(C)(C)C)NCCC 2214617674 JRTRGPXIFRQDIM-RUZDIDTESA-N 430.677 7.099 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Nc2ncccc2B2OC(C)(C)C(C)(C)O2)c(Cl)c1 2224094146 QRVMHTAYLBBCCT-UHFFFAOYSA-N 445.756 5.125 30 10 IKEE N#C[C@@H](C(=O)c1cc(Br)sc1Br)c1ccc(F)c(Cl)c1 2233365627 DCDLRJVCPRDXEV-MRVPVSSYSA-N 437.515 5.556 30 10 IKEE C=CCN(CC[C@H](NCC)c1sc(Br)c(C)c1C)C(=O)OC(C)(C)C 2254695519 HWSDEWRVLVQHPY-HNNXBMFYSA-N 431.440 5.591 30 10 IKEE C=CCCC1([C@@H](N)c2c(Cl)cccc2Br)CN(C(=O)OC(C)(C)C)C1 2254999281 OZPCSHOVYUYPJL-INIZCTEOSA-N 429.786 5.306 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)C1(C)CCN(Cc2ccccc2)CC1 2296268552 GEYIMQZFDVODPK-HSZRJFAPSA-N 425.414 5.081 30 10 IKEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@@H](CCC(C)(C)C)NC(=O)OC(C)(C)C 2296297983 FKKSNLFGMKLUGO-RBUKOAKNSA-N 437.422 5.108 30 10 IKEE CC(C)c1ccc([C@@H]2C(=C(O)c3cc4ccccc4o3)C(=O)C(=O)N2c2nccs2)cc1 2296553712 JJRZHGJEUZJJCB-OAQYLSRUSA-N 444.512 5.639 30 10 IKEE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(C)C2=O)c(C)c1 2296706762 OXBUWOPINDVTJF-UHFFFAOYSA-N 447.585 5.244 30 10 IKEE COc1cc(C=C2Sc3ccccc3C2=O)ccc1OCc1ccc(Cl)cc1Cl 2296736687 DOEFHXDBPMGCQF-UHFFFAOYSA-N 443.351 6.911 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)C(=C(O)c4ccco4)[C@@H]3c3ccccc3F)sc2c1 2296767366 XZQOAGHGJHTIHM-FQEVSTJZSA-N 448.475 5.217 30 10 IKEE COc1ccc(C=C2C[C@@H]3[C@@H]4CCc5cc(OC(C)=O)ccc5[C@H]4CC[C@]3(C)C2=O)cc1 2297109186 FJIRFWDJPBXNKB-LHWXFDGDSA-N 430.544 5.739 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2302804742 XFADTVMRGLOBQL-VAMGGRTRSA-N 429.561 5.404 30 10 IKEE CCOc1ccccc1C=CC(=O)c1ccc(OC(=O)c2ccc(C(C)(C)C)cc2)cc1 2314429403 GMLVSDPHYLZELV-UHFFFAOYSA-N 428.528 6.498 30 10 IKEE CCCCc1nnc(SCc2ccc(Br)cc2)n1N=Cc1ccc(C)o1 2318571877 VCDNBLBTJYAJIJ-UHFFFAOYSA-N 433.375 5.459 30 10 IKEE CN(C)c1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C2CC2)cc1 2320922030 GLFNSBWAOJFSNT-UHFFFAOYSA-N 429.952 5.189 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1cc(Cl)ccc1O 2321048180 JTESNEUREIDHSB-UHFFFAOYSA-N 441.771 5.681 30 10 IKEE Cc1ccc(CCN2COc3ccc4c(c3C2)OC(=Cc2c(F)cccc2Cl)C4=O)cc1 2322218210 QHYGICVBTUSVRS-UHFFFAOYSA-N 449.909 5.798 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2ccccc2F)cc1 2322362694 MXYCIFFRFHNLAZ-UHFFFAOYSA-N 437.898 5.955 30 10 IKEE O=C(C=Cc1cc(Br)ccc1OCc1ccc(F)cc1)c1cccc(Cl)c1 2322524792 ZDOUYSKNNVJMLM-UHFFFAOYSA-N 445.715 6.717 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C)c(C)c2)c1OCC(=O)Nc1ccc(C)c(C)c1 2322901015 FDBNSVFILSRIQM-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE Cc1ccccc1NC(=O)COc1ccccc1C=CC(=O)c1cc(C(C)(C)C)ccc1C 2322952819 HMSVSSIKXJWTCI-UHFFFAOYSA-N 441.571 6.515 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)c4ccc(C)c(C)c4)cc(C)c3C2=O)c(OC)c1 2323247659 XMUKNFVVKRLPBR-UHFFFAOYSA-N 444.483 5.464 30 10 IKEE Cc1ccccc1COc1ccc(C=CC(=O)c2cccc(Br)c2)cc1Cl 2323652827 GQDXDZHTTANETG-UHFFFAOYSA-N 441.752 6.886 30 10 IKEE Cc1cc(OC(=O)CCOc2ccccc2)cc2c1C(=O)C(=Cc1ccc(N(C)C)cc1)O2 2323688028 JNNGWEDQQVQYNS-UHFFFAOYSA-N 443.499 5.052 30 10 IKEE CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1C)OC(=Cc1ccccc1)C2=O 2324326120 XQTCEAIGVHGVCT-SFHVURJKSA-N 443.499 5.416 30 10 IKEE CCCOc1c(Br)cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1OC 2324354070 YMHLOKVHEKCFDR-UHFFFAOYSA-N 431.370 6.376 30 10 IKEE COc1ccc(C=C2Oc3cc(OCCOc4ccc(C)cc4)ccc3C2=O)c(OC)c1 2324537360 FBNSGBUGLAOWDY-UHFFFAOYSA-N 432.472 5.086 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OCc2c(F)cccc2Cl)cc1 2324570235 IMXPNPAORIZTSW-UHFFFAOYSA-N 436.954 7.560 30 10 IKEE Cc1ccc(NC(=O)CCOc2cc(C)c3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1 2325227485 WWAKAZQRECNNSC-UHFFFAOYSA-N 431.463 5.466 30 10 IKEE C[C@@H](Oc1ccc2c(c1)OC(=Cc1cccc(Cl)c1)C2=O)C(=O)Nc1ccc(C#N)cc1 2325302839 IDKKLDDKDDFHLC-OAHLLOKOSA-N 444.874 5.234 30 10 IKEE Clc1ccc(CSc2nnc(CCc3ccccc3)n2N=Cc2cccs2)cc1 2325461771 XPZKRLLRTUAIMO-UHFFFAOYSA-N 439.009 5.953 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1c(Cl)cccc1Cl)C2=O)Nc1nccs1 2325584716 NAKXPXVMSXQIJA-UHFFFAOYSA-N 447.299 5.084 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O)Nc1cccc2ccccc12 2325706879 PEJZEYZRCNQXHS-UHFFFAOYSA-N 439.442 5.613 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1OC(=O)c1sccc1C 2325708245 LUFDYADRGAQXSO-UHFFFAOYSA-N 447.339 6.487 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1OC(=O)c1cnc(C)cn1 2325708252 MJQPKUFNAAOHME-UHFFFAOYSA-N 443.286 5.216 30 10 IKEE Cc1cccc(C)c1OCCCC(=O)Oc1cccc(C=CC(=O)c2ccccc2Cl)c1 2325717715 YTPWPFHILIGXQR-UHFFFAOYSA-N 448.946 6.618 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2F)C3=O)c1 2325721680 VFJAEEGRGCDJBW-UHFFFAOYSA-N 431.463 5.385 30 10 IKEE COc1ccc(CCC(=O)Oc2cc(C=CC(=O)c3ccccc3OC)ccc2OC)cc1 2325723289 QQUVCYMRQNAIIG-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE Cc1ccc(C)c(OCC(=O)Oc2cccc(C=CC(=O)c3ccc(Cl)cc3)c2)c1C 2325730385 STKUCSDAWBLCGT-UHFFFAOYSA-N 434.919 6.146 30 10 IKEE O=C(Cc1ccc(Cl)cc1)Oc1cccc(C=CC(=O)c2ccc3c(c2)OCCO3)c1 2325745322 UDCCLELHXUEBHS-UHFFFAOYSA-N 434.875 5.155 30 10 IKEE COc1ccc(C=CC(=O)c2cccc3ccccc23)cc1OC(=O)c1cc(C)cc(C)c1 2325749321 PWYIFHBHZAOXMC-UHFFFAOYSA-N 436.507 6.581 30 10 IKEE CCC(=O)Oc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)c(Br)cc1OC 2325757478 UPRBRRZJZIHOMD-UHFFFAOYSA-N 447.325 5.295 30 10 IKEE C=C(C)CSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1ccc(F)cc1 2326388706 JLMHAOGUJDAVLE-UHFFFAOYSA-N 438.572 5.596 30 10 IKEE CCCOc1cccc(C=Nn2c(CCCOc3ccccc3C)nnc2SCC)c1 2327082710 RABOCEUULHGVIE-UHFFFAOYSA-N 438.597 5.381 30 10 IKEE C=CCSc1nnc(COc2ccccc2Cl)n1N=Cc1ccc(OCC)cc1 2327672101 FNMPIQYLSOXXJY-UHFFFAOYSA-N 428.945 5.070 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2N=Cc2ccc(C(=O)O)cc2)CC1 2328187127 XRDDJVUEWDQQBG-UHFFFAOYSA-N 428.602 5.825 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2cccc(O)c2)cc1C 2328792974 AAJJIBFDLVWTFZ-UHFFFAOYSA-N 444.560 5.354 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3)n2N=Cc2ccccc2)cc1C 2328946008 HUNNHPXFKSLJBM-UHFFFAOYSA-N 426.589 5.855 30 10 IKEE C=CCSc1nnc(Cc2ccc(OC)cc2)n1N=Cc1ccc(Cl)c(Cl)c1 2329282953 JHTZVFXLXNOUCI-UHFFFAOYSA-N 433.364 5.345 30 10 IKEE CCCOc1ccc(C=Nn2c(SCC)nnc2-c2ccccc2Cl)cc1OCC 2329561138 SZISZMRUJGODSV-UHFFFAOYSA-N 444.988 5.780 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccccc3Cl)n2N=Cc2ccco2)cc1 2329604569 FQCQWRLKRUKIIB-UHFFFAOYSA-N 429.332 6.019 30 10 IKEE CSc1nnc(CCc2cccs2)n1N=Cc1ccc(OCc2ccccc2C)cc1 2329624309 NXFYGSMHKKVLQJ-UHFFFAOYSA-N 448.617 5.616 30 10 IKEE Clc1ccc(CSc2nnc(COc3ccccc3)n2N=Cc2ccccc2)cc1 2329921638 TXLLFCHCNHYVAQ-UHFFFAOYSA-N 434.952 5.685 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2)n1N=Cc1ccccc1[N+](=O)[O-] 2330103870 OWCYUETUPXGFSR-GOSISDBHSA-N 443.532 5.513 30 10 IKEE C=CCSc1nnc(CC2CCCCC2)n1N=Cc1cccc(OC)c1OCCC 2330277411 ITBOSNGPOHGXSC-UHFFFAOYSA-N 428.602 5.359 30 10 IKEE CCCCCOc1ccc(C=Nn2c(Cc3cccs3)nnc2SCC)cc1OC 2330368073 BQPMKALIMHTBIH-UHFFFAOYSA-N 444.626 5.502 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)ccc1OC(=O)c1ccc(Cl)cc1 2330794692 NEWZHLUKIDNXEG-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE Cc1ccccc1CSc1nnc([C@@H]2CCCO2)n1N=Cc1cccc2ccccc12 2330895895 BMEJOAWDHIXBSO-QHCPKHFHSA-N 428.561 5.766 30 10 IKEE Clc1cccc(CSc2nnc([C@@H]3CCCO3)n2N=Cc2cccc3ccccc23)c1 2331001110 ZYMKNMMNVZTAHB-QFIPXVFZSA-N 448.979 6.111 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)CCCOc2cccc(C)c2)cc1 2331051876 VJDLSZOFWJAZPA-UHFFFAOYSA-N 430.500 5.664 30 10 IKEE Cc1cccc(C=Nn2c(SCC(=O)Nc3ccc(C)cc3C)nnc2C2CCCC2)c1 2331100713 UGFRZKBOCGWCQR-UHFFFAOYSA-N 447.608 5.474 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1Cl 2331142655 NXQFSCFMTXMLOP-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE Cn1cc(C=Nn2c(SCc3ccccc3Cl)nnc2-c2ccco2)c2ccccc21 2331210453 GBXQGBLVZMOZLP-UHFFFAOYSA-N 447.951 5.858 30 10 IKEE Cn1cccc1C=Nn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccco1 2331225662 KPFFFIVAKGAISU-UHFFFAOYSA-N 432.336 5.358 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)COc1ccc(C)c(C)c1 2331281737 MAKRPHOJBWOOGT-UHFFFAOYSA-N 444.527 5.891 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc4ccccc4n3C)cc2)cc1 2331295899 RHEMTWRICFVYHZ-UHFFFAOYSA-N 439.511 6.082 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)c3cccc(Cl)c3)c(Cl)c2)ccc1F 2331336151 QLWBRPNCSJOUTL-UHFFFAOYSA-N 429.274 6.556 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc3ccccc23)cc(OC)c1OC(=O)c1ccco1 2331484530 GOXGRSWSKDJWES-UHFFFAOYSA-N 438.479 6.285 30 10 IKEE O=C(CSc1nnc(C2CCC2)n1N=Cc1cccc2ccccc12)Nc1ccccc1 2331484655 XOMLYUCILVAKCP-UHFFFAOYSA-N 441.560 5.312 30 10 IKEE COc1ccccc1C=Nn1c(SCc2c(F)cccc2Cl)nnc1C1CCC1 2331546344 NOKVJYUXXDCKLF-UHFFFAOYSA-N 430.936 5.521 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C(C)C)c1 2331689872 OQEJSCYNLARAIY-UHFFFAOYSA-N 439.541 5.273 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)C3CCC3)c(Br)c2)cc1C 2331846037 FCWPTUICAHRBQX-UHFFFAOYSA-N 443.337 5.676 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2cnc(C)cn2)c(Cl)c1 2331876646 WGIYVBYRJHIQHT-UHFFFAOYSA-N 443.286 5.216 30 10 IKEE C[C@H](C1CC1)N(Cc1ccccc1)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(F)(F)F)n1 2339594695 YFAIRNZKXIUUGK-MRXNPFEDSA-N 446.322 5.205 30 10 IKEE CC(C)(C)OC(=O)NC(C)(C)C(C)(C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339597544 RLYPMCHZZGGODY-CCEZHUSRSA-N 446.397 5.187 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CCC(=O)C#Cc2ccc(Br)cc2)C1(C)C 2370410604 FBGBCRSWMIMFHA-LPHOPBHVSA-N 434.374 5.089 30 10 IKEE Cc1ccc2sc(-c3ccc(/N=C/c4ccc(-c5ccc(F)c(Cl)c5)o4)cc3)nc2c1 3085094 GWGROCOPQRKQKE-CCVNUDIWSA-N 446.934 8.075 30 10 IKEE C=C(C)COc1ccccc1NC(=O)COc1ccc(C(C)(C)C)cc1Br 9823052 GWBGXOCPHUGYSD-UHFFFAOYSA-N 432.358 5.719 30 10 IKEE CC1=C(C(=O)Nc2ccc(F)cc2F)[C@H](c2ccc(C)cc2)C2=C(CC(C)(C)CC2=O)N1 10013593 PTAKFIBNXVUHNL-QHCPKHFHSA-N 436.502 5.516 30 10 IKEE CCCCCCCC/C=C/CCCCCCCCO[P@](=O)(O)OCC[N+](C)(C)C 15449118 SLVOKEOPLJCHCQ-OUKQBFOZSA-O 434.622 6.864 30 10 IKEE in-vitro C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2 20695085 PJGBRVXGHDSQQC-PQNGQFLHSA-N 440.996 5.529 30 10 IKEE CCCOc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccc(F)cc1)C2 20881804 ITNAQSVZTIWSOL-GDJIYFAZSA-N 442.534 6.594 30 10 IKEE O=C(Oc1ccc(/C=C2/Sc3ccccc3C2=O)cc1)c1cc(Cl)ccc1Cl 33347588 FWVAUVWZIOZWNX-RGVLZGJSSA-N 427.308 6.542 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)S/C1=N/c1cccc2ccccc12 33810961 KZCJYRJVJYXURA-IVCURSBOSA-N 430.529 5.647 30 10 IKEE COc1ccc(C(=O)/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OCc1ccccc1 33892912 UQVYYRJZJGTXQW-BENRWUELSA-N 434.488 5.196 30 10 IKEE O=C(/C=C/c1c(Cl)cccc1Cl)c1ccc(OC(=O)c2ccccc2Cl)cc1 34954223 KARCCKNDRSAVBB-OUKQBFOZSA-N 431.702 6.762 30 10 IKEE Cc1c(OCc2ccc([N+](=O)[O-])cc2)ccc2c1O/C(=C\c1ccc(N(C)C)cc1)C2=O 41501543 JEXJBDSAFDUPLG-UCQKPKSFSA-N 430.460 5.164 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccc(OC)cc3)CO4)C2=O)cc1 41659067 SEQMXUWZPJBHKM-QFEZKATASA-N 427.500 5.226 30 10 IKEE CCCCCCCCCCC[C@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)O[C@@H]1CCCCO1 100049211 DQBLJAKEKGPLCT-KEVKATSASA-N 438.693 7.721 30 10 IKEE CCCCCCCOc1cccc(NC(=O)CNc2ccc(OCCCCCC)cc2)c1 100075552 IJAWAQTWEVHOCO-UHFFFAOYSA-N 440.628 7.046 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)CNc1cccc(OC(C)C)c1 100092086 DRCHBXSWIJFMBI-UHFFFAOYSA-N 432.693 7.483 30 10 IKEE C=CCn1c(-c2cccc([N+](=O)[O-])c2)cs/c1=N\c1ccc(/N=N/c2ccccc2)cc1 101223489 BBCGEOKSUREYKT-RNDSACKQSA-N 441.516 6.959 30 10 IKEE O=C1/C(=C\Nc2cccc(Cl)c2)S(=O)(=O)N(Cc2ccc(F)cc2)c2ccsc21 105337121 IWOSTKKZVPRKSD-WOJGMQOQSA-N 448.928 5.027 30 10 IKEE CCCOc1ccc(Cl)cc1[C@@H]1NC(=S)N(CC)C(C)=C1C(=O)c1ccccc1 169931557 VYWNYVXBVRHDDU-NRFANRHFSA-N 428.985 5.537 30 10 IKEE CCCCOc1c(OC)cc(/C=N\Nc2nc(-c3cccs3)cs2)cc1[N+](=O)[O-] 169942259 ODNLDXLPOKSFGU-JAIQZWGSSA-N 432.527 5.413 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2ccc(F)cc2)=C(N2C[C@@H](C)C[C@@H](C)C2)C1=O 169985744 VZHIHQWRHCCZPT-OYRHEFFESA-N 442.619 6.024 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2cccs2)cc1C 169989425 BZJYNIQRFAQOJZ-JOCHJYFZSA-N 435.520 5.325 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccncc1 170022178 SFHALNWYBVKXGG-FQEVSTJZSA-N 439.298 5.480 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccccc1 170051808 GUTFSPXYPGBFFE-HSZRJFAPSA-N 442.902 5.913 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccco2)c1 170089894 JIQGAAGRHIRSNC-HSZRJFAPSA-N 447.487 5.168 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2Cc2ccncc2)c1 170144965 ZHAFZGLTIIUWMI-VWLOTQADSA-N 438.527 5.047 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2cccs2)c1C 170158759 NSHMBJPXRNWOQO-DEOSSOPVSA-N 443.568 6.027 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)c(OC)cc3C)[C@@H]2c2cccnc2)cc1 170186112 AGGNWHXTAKCRME-DEOSSOPVSA-N 442.515 5.052 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccccc2)c1 170224515 LTKULNLNXSQPGO-JOCHJYFZSA-N 449.890 5.227 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccccc1 170234212 KSSHIXOGSFMOPD-QHCPKHFHSA-N 445.490 5.230 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2F)cc1C(C)C 170250519 DEMVDCQSUSFADD-QHCPKHFHSA-N 449.478 5.329 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccco1 170288768 IBVSERFFELURCD-QHCPKHFHSA-N 443.886 6.178 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(OC(F)(F)F)c2)o1 170401063 NDJRDXQPDQLLEN-LJQANCHMSA-N 443.377 5.270 30 10 IKEE CN1/C(=C/C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)C(C)(C)c2ccccc21 214106302 RZCGVLIAOFVUER-PXLXIMEGSA-N 430.577 5.117 30 10 IKEE COc1ccc(C=Nc2ccc3[nH]c(-c4ccc(Cl)cc4Cl)nc3c2)cc1OC 252594642 BUEYLKHZRGSIHI-UHFFFAOYSA-N 426.303 6.305 30 10 IKEE COc1ccc(-c2nc(N=Cc3ccccc3O)sc2-c2ccc([N+](=O)[O-])cc2)cc1 252627332 RSAOEYAJYLAAKS-UHFFFAOYSA-N 431.473 5.850 30 10 IKEE Cc1cccc(-c2nc3cc(N=Cc4cc(Br)cc(Cl)c4O)ccc3o2)c1 252637390 XSOZUUFKHMAMRR-UHFFFAOYSA-N 441.712 6.675 30 10 IKEE CN(C)c1ccc(/C=C/C=N/N=C2\CC[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]23C)cc1 253534359 KJCIEPRMJJUJPF-RFLXXIRASA-N 445.695 7.625 30 10 IKEE N#Cc1ccc(-c2csc(-c3ccnc(SCc4cccc([N+](=O)[O-])c4)c3)n2)cc1 261367655 ZUTUFUYNRGPMCP-UHFFFAOYSA-N 430.514 5.944 30 10 IKEE CCCN[C@@H](CC#CC(C)(C)C)c1cc(NC(=O)OC(C)(C)C)ccc1Br 407408610 KIDQVGBETCKXOA-IBGZPJMESA-N 437.422 6.276 30 10 IKEE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccc(Cl)c2)c1 526522643 RUQUPSBCUNHCTJ-QHCPKHFHSA-N 446.890 5.286 30 10 IKEE CC(C)COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccc(O)c2)cc1 526604324 HTDIAOGLYZKVAK-VWLOTQADSA-N 440.499 5.356 30 10 IKEE CC(C)c1ccc([C@@H]2C(c3cccc4ccccc34)=C(O)C(=O)N2c2ccccc2C#N)cc1 526610754 PUOBJNGNXCBOGH-MUUNZHRXSA-N 444.534 6.892 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(Nc3ccc(C#N)cc3)=C(Sc3ccccc3)C2=O)c1 526657488 OIUXGZJBOQBART-UHFFFAOYSA-N 425.513 5.164 30 10 IKEE Cc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2c(F)cccc2Cl)o1 526817794 BNLYTYGGWCXTPF-MXAYSNPKSA-N 440.931 5.737 30 10 IKEE N#Cc1ccc(CN(c2cccc3ccccc23)S(=O)(=O)c2ccc(Cl)cc2)cc1 586217895 JORVVPKSJNFESZ-UHFFFAOYSA-N 432.932 5.760 30 10 IKEE C#CCCCCC[C@H](NCCC)c1cc(Br)ccc1I 686694460 AOKJUKRVWHYZAE-KRWDZBQOSA-N 448.186 5.678 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 698975865 AYPIZKHSDSSLMI-NTKDMRAZSA-N 447.551 5.639 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCN(C(=O)OC(C)(C)C)[C@H]2C)cc1 698987726 NJQRTDOSAKLISU-BXKMTCNYSA-N 445.560 5.118 30 10 IKEE Clc1ccc(Sc2oc(C=Nc3cccc(Cl)c3)cc2Br)cc1 1083980100 ZTMASIJQOIWKPX-UHFFFAOYSA-N 427.150 7.251 30 10 IKEE CCOC(=O)c1ccc(-n2c(C)cc(C=Nc3ccc(Cl)c(C(=O)OC)c3)c2C)cc1 1084405830 LUSAGJPRYFQTIS-UHFFFAOYSA-N 438.911 5.461 30 10 IKEE C=CCOc1ccccc1CN(C(=O)c1cnc(C2CC2)nc1O)c1ccc(C)c(C)c1 1633066776 UAJNEZAJJTYDJS-UHFFFAOYSA-N 429.520 5.088 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=Nc1nnc(C)s1 1772735293 FOAOGIVTYMEBFM-NIHZCWFLSA-N 430.942 5.384 30 10 IKEE Cc1cccc(N=C2S/C(=C/C(Cl)=C\c3ccccc3)C(=O)N2C2CCCCC2)n1 1772736091 KLFOTPFAZZCSDO-GCIXZARGSA-N 437.996 6.449 30 10 IKEE Cc1ccc(NC(=S)N/N=C\c2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)cc1 1857811035 HUKPGVBRKGRLMV-YSMPRRRNSA-N 445.979 5.822 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccc2O[C@@H](C)C(=O)O[C@@H](C)CC)c1 1858739731 AUAPXFPNWOUYDY-ROUUACIJSA-N 439.556 5.281 30 10 IKEE N#Cc1ccc(COc2cccnc2NC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 1858865540 IGGQKNCHWNCKSZ-UHFFFAOYSA-N 447.709 6.136 30 10 IKEE C=C(C)Cc1c(C)nn(CCC(=O)N2CCC[C@@H]2c2nc3ccccc3n2C(C)C)c1C 1860305184 NOFRCUGFOBEOMG-XMMPIXPASA-N 433.600 5.303 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc(OC(F)(F)F)cc1 1860730109 YPTDBSUPQPSREW-NTEUORMPSA-N 441.405 5.385 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2Cc2ccco2)c1 1862379505 CWINATIWHMLPMZ-HXUWFJFHSA-N 442.298 5.673 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1F)c1ccc(Cl)cc1Cl 1862383039 RSYNMIOKMKKHMX-HXUWFJFHSA-N 448.321 6.044 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2cccc(C)c2)cc1 1862389355 DFAMMCIINMSSNM-VWLOTQADSA-N 440.543 5.511 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccccc2F)cc1 1862391120 SPCOEVNZHYRDDP-UODBTFMRSA-N 449.566 6.325 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2ccc(C(C)C)cc2)cc1 1862395161 NLLXXUAOHJPHLY-VWLOTQADSA-N 449.591 5.767 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@H]1c1ccc(F)cc1)c1ccccc1Cl 1862430207 FQNCXCZRVOASGS-QFIPXVFZSA-N 441.930 6.170 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc(F)c1 1862431094 ZJZMMPUBWOAHGB-XWRIVVANSA-N 427.903 5.636 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(Br)cc2)cc1 1862487536 DCVVOJXKNARKGK-FQEVSTJZSA-N 440.337 5.278 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccccc2C)c1 1862490228 QIUQEGIRAMARNQ-CJFMBICVSA-N 425.528 5.951 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2cccc(O)c2)c1 1862490315 SMDJRPKPXBEBMI-UUOWRZLLSA-N 427.500 5.349 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCOc2ccccc2)c1 1862507356 JKGVALIRPRLSJZ-DEOSSOPVSA-N 445.490 5.100 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccccc2C)ccc1F 1862507512 NEGXCTJMHKDREJ-DEOSSOPVSA-N 447.481 5.403 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2Cc2ccco2)c1 1862537004 MEUPOJAVOMFVMA-DEOSSOPVSA-N 445.515 5.409 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(C(C)C)cc1 1862546505 YZXMPYUYOPUXQP-SANMLTNESA-N 445.603 6.313 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1c(F)cccc1Cl 1862549392 NZOMXMXJEMILEE-NRFANRHFSA-N 427.903 5.345 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(O)cc1 1862613929 SXGSFEVTVJHZBI-CUHUQNRHSA-N 447.575 5.847 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1c(F)cccc1Cl 1862620365 QKCATGXJAHSNMU-HXUWFJFHSA-N 427.903 5.541 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@@H]1c1ccc(F)cc1F)c1ccc(F)cc1 1862675340 IHCZVFIVNSJDBP-JOCHJYFZSA-N 441.449 5.573 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccc(F)c1 1862723668 CVLKDQKSDGICIR-DEOSSOPVSA-N 445.490 5.108 30 10 IKEE CCc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3cccc4ccccc34)C2=O)cc1 1862843055 VIKGIGKTEFHVHM-UHFFFAOYSA-N 443.506 5.670 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H](C)CC)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863632616 BQYWGPDMMXBECF-OAHLLOKOSA-N 425.400 5.822 30 10 IKEE CCCCCCOc1ccc(C(=O)N[C@](C)(CC)C(=O)N[C@H](C#N)c2ccc(C)cc2)cc1 1867569636 SCHXGWLBWLRTTH-SHQCIBLASA-N 449.595 5.234 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC(Cc3ccccc3)CC2)nc(-c2ccccc2C)n1 1867960439 UWFPEIUQMNJFII-UHFFFAOYSA-N 438.619 6.090 30 10 IKEE CCCc1nc(Nc2cccc(C#N)c2)cc(N2C[C@@H](C)N(c3ccccc3)[C@H](C)C2)n1 1868378917 WZKOSHRFDOTSAE-WOJBJXKFSA-N 426.568 5.148 30 10 IKEE C=CCN(CC=C)c1cc(N(C)CC(C)(C)c2ccccc2)nc(-c2ccccc2Cl)n1 1869242307 MVNSYJQNPJJDJP-UHFFFAOYSA-N 447.026 6.389 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC[C@H]2Cc2ccc(Cl)cc2)nc(-c2cccnc2)n1 1869362793 QYBQIOBFZUNZFW-QHCPKHFHSA-N 445.998 5.582 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N2CCC(C)CC2)nn1-c1cccc(Cl)c1 1869933772 YCXJWPUEOUTKBK-UHFFFAOYSA-N 432.012 5.846 30 10 IKEE CCc1ccc(CCC(=O)Nc2c(C#N)nnn2-c2ccc(-c3ccccc3C)cc2)cc1 1870150841 VEDHYUHQDSQINF-UHFFFAOYSA-N 435.531 5.248 30 10 IKEE C=CCn1cc(OCc2c(Cl)cccc2Cl)c(=O)cc1CSCc1ccccc1 1870162997 CTMIGUYXMBBZLI-UHFFFAOYSA-N 446.399 6.354 30 10 IKEE CCCCCCCOc1cn(CCc2ccccc2)c(CN2C[C@@H](C)C[C@H](C)C2)cc1=O 1870409351 PCIVXAFWAMBHLQ-ZEQRLZLVSA-N 438.656 5.918 30 10 IKEE CCCCCCCOc1cn(C[C@@H]2CCCO2)c(CN(CCCC)CCCC)cc1=O 1870411257 ZUFKRGMHYMMSHN-DEOSSOPVSA-N 434.665 5.779 30 10 IKEE C=CCOc1cn(CCCOCC)c(CNc2ccc(Oc3ccccc3)cc2)cc1=O 1870810216 RQVQQSCEUNMAEX-UHFFFAOYSA-N 434.536 5.244 30 10 IKEE CCCCCCCOc1cn(CCCOCC)c(CNc2cccc(Cl)c2)cc1=O 1870830153 FPPIKPXDXAVPBT-UHFFFAOYSA-N 435.008 5.890 30 10 IKEE C#CCOc1cn(Cc2ccccc2Cl)c(CNc2ccc(N(CC)CC)cc2)cc1=O 1871005762 XNFLQEWUAMDPOZ-UHFFFAOYSA-N 449.982 5.020 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCCC)c(=O)cc1CNc1cccc(F)c1 1871234752 KOMQQHSJQGGQOV-UHFFFAOYSA-N 446.563 5.292 30 10 IKEE Cc1cccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2Cc2ccccc2)c1C 1871252136 MICYRJZDYPELBW-UHFFFAOYSA-N 449.554 5.576 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O3)CN(CCC1=CCCCC1)CO2 1871349229 KHBRRRXPCOAMKY-UCQKPKSFSA-N 446.503 5.562 30 10 IKEE CCCCCN1COc2c(cc3c(c2C)O/C(=C\c2cccc(Br)c2)C3=O)C1 1871352362 CTPGGDRCCPRMJS-JAIQZWGSSA-N 442.353 5.716 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OC(=O)c3c(F)cccc3Cl)cc(C)c2C1=O 1871375500 OMZXEOGDXMMVHW-JAIQZWGSSA-N 438.838 5.632 30 10 IKEE COc1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871377030 QQYFEPMTGWLAAR-LABNAMAPSA-N 446.886 5.892 30 10 IKEE O=C(COc1ccc(Cl)cc1)Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 1871381272 RNIYQDHVHHXLSK-HEYHWPDRSA-N 432.859 5.497 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(OC)c2)C3=O)c1 1871387322 OWIJLMOVILDGFM-QRVIBDJDSA-N 430.456 5.238 30 10 IKEE Cc1c(OCCCCOc2ccccc2)ccc2c1O/C(=C\c1ccccc1Cl)C2=O 1871403781 ZTJQJAGESVZFIU-ULJHMMPZSA-N 434.919 6.503 30 10 IKEE CCOc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2cccs2)C3=O)cc1 1871408421 WKFBCVWQFNYYAP-LRSOKBAUSA-N 449.528 5.477 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccccc1C)C2=O 1871424259 CNQPZKKXVWRAIV-IWIPYMOSSA-N 441.527 5.808 30 10 IKEE CCc1ccc(NC(=O)[C@@H](CC)Oc2ccc3c(c2)O/C(=C\c2cccs2)C3=O)cc1 1871425038 DXOZILDPEXCBPF-FYYJVHHASA-N 433.529 5.723 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccc(C#N)cc4)c3C)C2=O)c1 1871436352 WBBWWACOLUMSRS-SMNNTEATSA-N 438.483 5.197 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)c(C)c1)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1871886395 VDTKMLLAAGRTMP-XMMPIXPASA-N 442.625 5.150 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cc(C)cc(C)c1)C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1871982698 KFSCXORHMHENQK-JOCHJYFZSA-N 449.016 5.187 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OCC(C)C)cc3)n2)cc1 1872770258 OAWDJIVTABVVDV-JOCHJYFZSA-N 434.561 6.124 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)c2ccc(C(C)(C)C)cc2)n1 1872777354 LMHAUAACIXFWKS-OAQYLSRUSA-N 446.616 6.904 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(C(C)C)cc1)n2CC(C)C 1873656469 ATJPNIQKBUJCNB-UHFFFAOYSA-N 431.584 5.641 30 10 IKEE CCCOc1cccc(/C=N/n2c(COc3ccc(Cl)cc3)nnc2SCCC)c1 1874264629 HZDFFDVJWJMNOY-BUVRLJJBSA-N 444.988 5.684 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2/N=C/c2ccc(N(C)C)cc2)CC1 1874287352 AFJNDFOEHJPRMJ-XIEYBQDHSA-N 427.662 6.192 30 10 IKEE CCSc1nnc(CCCOc2ccccc2)n1/N=C/c1ccc(Br)cc1 1874316633 DDJBNFQBHCQEPZ-PXLXIMEGSA-N 445.386 5.046 30 10 IKEE Cc1ccccc1CSc1nnc(COc2cccc(C)c2C)n1/N=C/c1cccs1 1874322094 ZNDXEJJVBFWPIY-AFUMVMLFSA-N 448.617 6.018 30 10 IKEE C=CCSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1cn(C)c2ccccc12 1874331457 OFAOHQSLCZPXMY-WGOQTCKBSA-N 429.593 5.332 30 10 IKEE C=CCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1cccc(OC)c1OCC 1874342784 JDCMNBALGCHSCE-BUVRLJJBSA-N 442.972 5.090 30 10 IKEE Cc1ccc(CSc2nnc(COCc3ccccc3)n2/N=C/c2ccccc2C)cc1 1874352353 FYEZXROZSBLANW-JVWAILMASA-N 442.588 5.786 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(Br)cc1 1874367256 UFDCRVFCWIXACK-SSDVNMTOSA-N 447.789 5.911 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1c(OC)ccc2ccccc12 1874367278 UYVZIQFBUPHXSW-VULFUBBASA-N 448.979 6.311 30 10 IKEE Cc1cccc(/C=N/n2c(CCc3cccs3)nnc2SCc2ccc(F)cc2)c1 1874368916 ZJNDZUXCFLUXKR-MFKUBSTISA-N 436.581 5.747 30 10 IKEE Cc1cccc(/C=N/n2c(CCc3cccs3)nnc2SCc2ccccc2F)c1 1874371737 OBJMFWJZUCUNQR-MFKUBSTISA-N 436.581 5.747 30 10 IKEE Cc1cccc(/C=N/n2c(COc3ccccc3)nnc2SCCc2ccccc2)c1 1874384493 RVBKJVRKENJGPN-NLRVBDNBSA-N 428.561 5.383 30 10 IKEE Cc1cccc(CSc2nnc([C@@H](C)c3ccccc3)n2/N=C/c2cc(C)ccc2O)c1 1874393568 QNUOYQDLOCIIKX-BJRSOBTISA-N 442.588 5.927 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2cccc(Cl)c2)cc1 1874430797 XYGGKFSWRYOQER-AFUMVMLFSA-N 439.371 6.426 30 10 IKEE O=C(O)c1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CCCC2)cc1 1874455970 TWZXBNPXJDAIKM-ZMOGYAJESA-N 440.956 5.462 30 10 IKEE CCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1/N=C/c1ccc(C(C)(C)C)cc1 1874528962 KNZBTXBHTVXLTP-CVKSISIWSA-N 449.624 5.368 30 10 IKEE CCCCOc1ccc(/C=N/n2c(C)nnc2SCc2ccc(C)cc2)cc1OCC 1874529622 SOZCXVXMPIUISQ-PCLIKHOPSA-N 438.597 5.647 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/n2c(S)nnc2C2CCC2)c(Cl)c1 1874559190 CFAPZZOWXQXNCZ-LFVJCYFKSA-N 435.037 6.499 30 10 IKEE Sc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccccc1OCc1ccccc1 1874564806 UBUQVKSMHNSFOB-MFKUBSTISA-N 434.952 5.272 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2nc(O)c3ccccc3n2)cc1 1874572746 COFPTSVPHMHVHA-ACCUITESSA-N 444.918 6.026 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1OC 1874573114 WOMNUBHCNWPIHZ-BUHFOSPRSA-N 442.486 6.471 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)cc1OCc1ccccc1C 1874600873 HOKHBTSJFHMMQA-JLHYYAGUSA-N 448.515 5.505 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OCc1cccc(Cl)c1 1874603587 UIZFDDROYRQSAZ-GXDHUFHOSA-N 442.942 7.367 30 10 IKEE O=C(/C=C/c1ccc(OCc2c(F)cccc2Cl)c(Cl)c1)c1ccc(Cl)cc1 1874613535 ZNJQQRAEMHMAMP-ONNFQVAWSA-N 435.709 7.261 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OCc3ccccc3C)c(Br)c2)c1 1874618017 FRDYKLIANZSANG-ZRDIBKRKSA-N 435.361 6.849 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OCc1ccccc1F 1874623130 NNHVEDFZUZAJRN-JQIJEIRASA-N 426.487 6.853 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc(OC)c1OCc1ccccc1 1874635003 CNVMWIUMFULXRD-FYWRMAATSA-N 444.571 6.785 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)ccc1OCC(=O)OCC(C)C 1874635580 QBIMGDWCUPWYFU-FMIVXFBMSA-N 438.564 5.775 30 10 IKEE CCCCCCCCC(=O)Oc1cccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1 1874695575 IQWPGBZBLISTFH-NTCAYCPXSA-N 433.375 7.546 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OC(=O)c1cc(Cl)ccc1Cl 1874702872 NVCTZGOVVXKHSW-VZUCSPMQSA-N 441.310 6.426 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(Br)cc3)c2)cc1C 1874714349 QMASMBHXDUZUNZ-NTUHNPAUSA-N 435.317 6.181 30 10 IKEE C=CCN(CC=C)CCC(=O)c1cccc(NC(=O)CCCOc2ccc(Cl)cc2)c1 1874722678 JMQPXQQRFGPMNA-UHFFFAOYSA-N 440.971 5.385 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1F 1875120856 NQESYADNIQNPJC-WEVVVXLNSA-N 443.789 5.642 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OC(=O)[C@H](C)c1ccccc1 1875156427 ZTGKPOKLTRQBOE-XBVMLYLOSA-N 436.507 6.454 30 10 IKEE CCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1OCC 1875164352 GMBALHJVSARTDM-GZTJUZNOSA-N 430.500 6.479 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)[C@H](C)c1ccccc1 1875175162 BIHJFWGUYIETPY-CMQXMCPJSA-N 444.527 5.926 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 1875181979 GFXXVXFFLBIMGL-DHZHZOJOSA-N 441.310 6.426 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1Cl)c1cnccn1 1875189474 RWRVMDBMGLPCIT-ORCRQEGFSA-N 433.678 5.552 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(Cl)ccc3Cl)cc2)cc1 1875191474 OGKJIAVOKUWIKE-LHHJGKSTSA-N 441.310 6.507 30 10 IKEE C=CC1(C[C@@H](N)[C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCC1 1875670353 ZNYOWRBCCBMUFU-NAKRPHOHSA-N 443.587 5.952 30 10 IKEE CC1(C)OB([C@@]23C[C@H]2CCN(Cc2ccc(Cl)cc2Br)C3)OC1(C)C 1879794433 OONSRJXLFFMFEI-AUUYWEPGSA-N 426.591 5.161 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C=CC(=O)Cc2ccc(F)c(Br)c2)cc1 1912055493 OJEVUFJSLXWTGF-UHFFFAOYSA-N 434.305 5.760 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]12CCCC[C@@H]1N(C(=O)OC(C)(C)C)CC2 1922059293 FRTJBJUNERUZIQ-DPZBCOQUSA-N 442.644 5.697 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C)NCCC 1922114294 XHOUOEUJDHQIEX-GOTSBHOMSA-N 430.633 5.553 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](CNC(=O)OC(C)(C)C)C1CCCCC1 1922126343 TVHHURQAHLHHSN-RPBOFIJWSA-N 444.660 5.849 30 10 IKEE CC[C@H](NC(=O)OC(C)(C)C)[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1OC 1941062326 UHRCCABGXFPBEP-MBSDFSHPSA-N 433.549 5.022 30 10 IKEE CCCCCCCCC[C@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NC 1947484450 KNIIVZLZJGWFBD-DNQXCXABSA-N 434.665 6.215 30 10 IKEE CCCOc1c(Br)cc(Br)cc1C=CB1OC(C)(C)C(C)(C)O1 1995695466 KRDNXPRLPQZOOQ-UHFFFAOYSA-N 445.988 5.645 30 10 IKEE C=CCn1c2ccccc2n2nc(C)c(C(=O)C=Cc3ccc(OC)c(OC(F)F)c3)c12 2042448926 DMEYBTALIQWGEF-UHFFFAOYSA-N 437.446 5.290 30 10 IKEE CC(C)c1nn([C@H](c2ccc(C3CC3)cc2)C(C)(C)C)c(I)c1C#N 2079016745 RJZVGLVSPUQNFY-LJQANCHMSA-N 447.364 5.996 30 10 IKEE Fc1c(Cn2nc(Cl)c(Br)c2C(F)(F)F)cccc1C(F)(F)F 2079214137 XOBQSYVVMZWNBH-UHFFFAOYSA-N 425.529 5.524 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@@]1(C#N)CCN(Cc2ccccc2)C(C)(C)C1 2079237061 GNAAQFULRZTSAI-SANMLTNESA-N 437.559 5.904 30 10 IKEE CCCCCCCCCNC1(CNC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2086287734 OFQGSABMUAVUFV-UHFFFAOYSA-N 445.692 5.886 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)C2(C#N)[C@H]3CCC[C@H]2CN(Cc2ccccc2)C3)cc1 2111463140 OTMJAIDYHAVIGI-ZEQRLZLVSA-N 445.607 5.931 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCC)c2c(C)sc(C)c2Br)C1 2126631590 ZNUWMXPNUXJLFI-KRWDZBQOSA-N 443.451 5.639 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)c(F)c1F 2145544021 MCHQSMBYBBRAKK-MAUKXSAKSA-N 445.348 5.075 30 10 IKEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN(Cc1ccccc1)CC1CCCCC1 2152170902 WIYGZPBBQSYEFR-UHFFFAOYSA-N 449.444 5.577 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@H]2Nc2ccc(C#N)cc2Br)C1 2156237766 XMFZLGXKVSUQGY-WIYYLYMNSA-N 434.378 5.302 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(C)ccc(Br)c1F 2159124515 ILMDODOKNWQHTE-VQIMIIECSA-N 441.385 5.244 30 10 IKEE CC(C)(C)OC(=O)NCCCN(c1cccc(Br)c1)[C@@H]1CCCC[C@H]1C#N 2174566035 SNCNJHBRXJAQEI-QFBILLFUSA-N 436.394 5.253 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(F)c(Br)cc1F 2198173048 GZRHORHIMQXXKL-ROUUACIJSA-N 445.348 5.075 30 10 IKEE C=CCC[C@](C)(CO)N(Cc1ccccc1)C(=O)OCC1c2ccccc2-c2ccccc21 2208921789 SFVZSPLEZYOSIL-GDLZYMKVSA-N 441.571 6.155 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C 2235730302 OQOAUBWQIOBOLH-MJGOQNOKSA-N 437.422 5.108 30 10 IKEE CC(C)(C)OC(=O)N(CCN=[N+]=[N-])[C@@H](C#N)c1cc(C(F)(F)F)ccc1Br 2236344079 IZHJBIQUSCNEGT-ZDUSSCGKSA-N 448.243 5.580 30 10 IKEE C=C(COc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C(=O)O)c1)OC 2243585746 GDOYFIKIHJPWDX-UHFFFAOYSA-N 445.471 5.285 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)[C@@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 2249390126 GFHGKEKPOFGCGX-JZYHSSGTSA-N 433.593 5.142 30 10 IKEE Cc1cc(C(=O)N(Cc2ccccc2)C2CCCCC2)sc1B1OC(C)(C)C(C)(C)O1 2255673449 FKWRQDYWURERGZ-UHFFFAOYSA-N 439.430 5.331 30 10 IKEE Cc1cc(C(=O)N(Cc2ccccc2)[C@H](C)C(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2255874883 ZRNVJALTDOQXQV-GOSISDBHSA-N 441.446 5.433 30 10 IKEE C#C[C@H](C)[C@@H](OCCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2262615989 FZLNJGWEILZAKW-RBISFHTESA-N 429.560 5.520 30 10 IKEE Cc1ccc(C(=O)N(Cc2ccccc2)[C@H](C)C(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267600928 NXDVUBRUEOJCAL-HXUWFJFHSA-N 435.417 5.371 30 10 IKEE Cc1ccc(C(=O)Nc2ccccc2OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2282112157 YCZPPHSHXOISMN-UHFFFAOYSA-N 443.352 5.126 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)[C@@H]1CCCN(Cc2ccccc2)C1 2285325733 ABYSWLQJIJYLBK-VWNXMTODSA-N 425.414 5.081 30 10 IKEE Cc1ccc([C@@H](N)C#Cc2cccc(Br)c2)c(NC(=O)OC(C)(C)C)c1C 2296215944 FXFAEUXWDRWCIJ-IBGZPJMESA-N 429.358 5.464 30 10 IKEE CCCCCCCCOc1ccc(C=C2N=C(c3ccc(OC)c(OC)c3)OC2=O)cc1 2297287198 DCYBJPHMUGGQAJ-UHFFFAOYSA-N 437.536 5.788 30 10 IKEE C=CCn1cc(C=C2SC(=Nc3ccccc3)N(C3CCCCC3)C2=O)c2ccccc21 2297617214 GCSOGIKNJZEHLY-UHFFFAOYSA-N 441.600 6.764 30 10 IKEE COc1ccc(C=C2SC(=Nc3nc(-c4ccccc4)cs3)N(C)C2=O)c(OC)c1 2314543823 NEKHHGIUODGCTO-UHFFFAOYSA-N 437.546 5.061 30 10 IKEE CC1(C)OB(C=Cc2ccc(N(Cc3ccccc3)Cc3cccs3)nc2)OC1(C)C 2317335408 GCZUSQYQHKVLDY-UHFFFAOYSA-N 432.398 5.995 30 10 IKEE CCCc1nnc(SCc2ccc(Br)cc2)n1N=Cc1ccccc1F 2318571023 AMKILXXLKAQSJZ-UHFFFAOYSA-N 433.350 5.307 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(OCc4cccc(F)c4)c3C)C2=O)c2ccccc21 2321888478 GQSDRFHUCJXGGS-UHFFFAOYSA-N 427.475 6.304 30 10 IKEE CCOc1cc(C=Nn2c(S)nnc2CCc2ccc(C)c(C)c2)ccc1OC(C)C 2322044902 USBYUCBSHLRMIQ-UHFFFAOYSA-N 438.597 5.037 30 10 IKEE CCOc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccc(F)cc2)C4)cc1 2322052141 SMDIRDGUURFKNJ-UHFFFAOYSA-N 445.490 5.501 30 10 IKEE Cc1cc(OCc2nnc(S)n2N=Cc2ccc(Cl)c(Cl)c2)cc(C)c1Cl 2322234525 PAPFFPANMHLFCW-UHFFFAOYSA-N 441.771 5.605 30 10 IKEE CCCCCN1COc2c(cc3c(c2C)OC(=Cc2ccc(Cl)c(Cl)c2)C3=O)C1 2322346999 QKGYIWJZGRIKKE-UHFFFAOYSA-N 432.347 6.260 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2ccccc2)cc1 2322687575 KKTVWNZFXHCZTN-UHFFFAOYSA-N 447.962 6.551 30 10 IKEE Cc1c(OC(=O)c2ccc(Cl)cc2)ccc2c1OC(=Cc1ccc(C(C)C)cc1)C2=O 2322703700 NTABIEUDECBLKV-UHFFFAOYSA-N 432.903 6.607 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccccc1OC(F)F)C2=O)c1ccc(F)cc1 2322781482 VIJHMEUSIIWQIR-UHFFFAOYSA-N 426.346 5.263 30 10 IKEE Cc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)c1 2322884221 AYXISZWBTUIYHK-UHFFFAOYSA-N 426.512 6.436 30 10 IKEE COc1cccc(C=CC(=O)c2cc(Cl)ccc2Cl)c1OCc1ccccc1C 2323009477 XSXGNECEKQDDMS-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OCC(=O)NCc2ccco2)c1 2323230174 SATMLARDQFSSTP-UHFFFAOYSA-N 447.531 5.177 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3ccc(F)cc3)c2)cc1Cl 2323310269 JXOLWWCBCRLTHD-UHFFFAOYSA-N 439.870 5.401 30 10 IKEE COc1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2C)C3=O)cc1 2323424127 VKGVELUMASHCGK-UHFFFAOYSA-N 426.468 5.547 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3cccc(Cl)c3)cc2Cl)o1 2323766229 ODKQACYQCIOFNF-UHFFFAOYSA-N 445.298 6.238 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OCC(=O)Nc1ccc(C)cc1 2323815936 DHZMNKQYIVSRCH-UHFFFAOYSA-N 441.527 5.646 30 10 IKEE Cc1cc(O)c(CN2CCCCC2)c2c1C(=O)C(=Cc1ccccc1Br)O2 2323985146 QZCQAJYNYNTOHH-UHFFFAOYSA-N 428.326 5.065 30 10 IKEE CCCCN(CC)Cc1c(O)ccc2c1OC(=Cc1ccccc1Br)C2=O 2324120661 MDIAFYOEJVMLAE-UHFFFAOYSA-N 430.342 5.393 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OCc3c(F)cccc3Cl)c(Cl)c2)cc1 2324158597 BQPQEJVOIJGJOQ-UHFFFAOYSA-N 443.345 7.731 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)c(C)c1C 2324305358 LVKKAOPGURDEHH-UHFFFAOYSA-N 435.451 5.834 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OCc2cccc(C)c2)c([N+](=O)[O-])c1 2324372330 PBCUDPJLRZTADI-UHFFFAOYSA-N 431.488 6.004 30 10 IKEE Cc1cccc(OCCCCOc2cc(C)c3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)c1 2324571082 BRJRTCIZPCEGHN-UHFFFAOYSA-N 448.946 6.811 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCCOc4ccc(C(C)(C)C)cc4)c3C)C2=O)o1 2324691139 CHWLHARZENKTHL-UHFFFAOYSA-N 432.516 6.268 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1C)OC(=Cc1ccccc1)C2=O 2325142142 OOVQXIWLOOKSTN-IBGZPJMESA-N 427.500 5.634 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OC(c3ccccc3)c3ccccc3)cc(C)c2C1=O 2325216761 LPYQBGBDUPIWAS-UHFFFAOYSA-N 438.548 7.150 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(Br)cc1 2325517718 JSARDNSQWCCRFX-UHFFFAOYSA-N 447.377 5.697 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(F)c(F)c2F)cc2c1C(=O)C(=Cc1cccs1)O2 2325532211 JODAABLCUQXITR-UHFFFAOYSA-N 445.418 5.108 30 10 IKEE CCCOc1cccc(C=Nn2c(CCC)nnc2SCc2c(F)cccc2Cl)c1 2325572096 RHLBKUYNCLZSPK-UHFFFAOYSA-N 446.979 5.986 30 10 IKEE CCCCCCCCNC(=O)[C@H](C)NC(=O)C=Cc1ccc(OCc2ccccc2)cc1 2325709205 JZPPBGNOHIGVQF-QFIPXVFZSA-N 436.596 5.260 30 10 IKEE CC(C)COc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(F)cc3F)c2)cc1 2325726105 JDQXHRNJASIBIC-UHFFFAOYSA-N 436.454 6.115 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc3cc(Cl)ccc3n2)c1)c1ccc(F)cc1 2325751480 UEOGAIPRMPVHSQ-UHFFFAOYSA-N 431.850 6.143 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2cccc(OC(=O)c3ccc(C)cc3)c2)cc1Cl 2325759543 ZPRAINGKQDDKPO-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE Cc1ccc(CSc2nnc(C)n2N=Cc2ccc(OC(=O)c3cccs3)cc2)cc1 2326296035 NUPPPHCDIJYFFJ-UHFFFAOYSA-N 448.573 5.350 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(OCC(C)C)cc1 2326474907 BRINUHCUMJQCAL-UHFFFAOYSA-N 443.016 6.093 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1cccc(C)c1 2326524954 XZUOQXVAZHIJRB-UHFFFAOYSA-N 426.973 5.678 30 10 IKEE CCCCOc1ccc(C=Nn2c(COc3ccc(Cl)cc3)nnc2SC)cc1 2327506919 NLPISYBKXZVFLL-UHFFFAOYSA-N 430.961 5.294 30 10 IKEE CCCSc1nnc(COc2ccccc2Cl)n1N=Cc1cccc2ccccc12 2327679018 LRTSTWHJDLQTKA-UHFFFAOYSA-N 436.968 6.048 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2N=Cc2cccc([N+](=O)[O-])c2)CC1 2328179843 FBQJUGTTWZOPAG-UHFFFAOYSA-N 429.590 6.035 30 10 IKEE Cc1cccc(CSc2nnc(COCc3ccccc3)n2N=Cc2ccc(F)cc2)c1 2329317281 SOROPHQBGLUAGP-UHFFFAOYSA-N 446.551 5.617 30 10 IKEE CSc1nnc(CCc2ccccc2C)n1N=Cc1ccc(OCc2ccccc2)cc1 2329465474 QNCRHSDFKUNMQC-UHFFFAOYSA-N 442.588 5.555 30 10 IKEE C=CCNC(=O)Oc1cccc2c(NC(=O)C=Cc3cccc(OC(C)C)c3)cccc12 2329917127 KIOFJIAWXWFQQV-UHFFFAOYSA-N 430.504 5.553 30 10 IKEE C(=Nn1c(CC2CCCCC2)nnc1SCc1cccc2ccccc12)c1ccncc1 2330280529 VYTOSQHDAZUPGN-UHFFFAOYSA-N 441.604 6.124 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2ccc(Cl)cc2)cc1 2330653427 DJWWTVJBFRBBIO-UHFFFAOYSA-N 449.923 5.681 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2cccc3ccccc23)nnc1[C@@H]1CCCO1 2330979749 YRQNIMQCZJNYOK-QHCPKHFHSA-N 428.561 5.766 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2ccccc2)cc1 2331044534 ZBPVOSMGEQPXJR-UHFFFAOYSA-N 433.581 5.111 30 10 IKEE COc1cccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2-c2ccco2)c1OC 2331208486 VWNKUWLMFIVGHC-UHFFFAOYSA-N 448.548 5.347 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C(F)(F)F)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 2331244966 HXMCDLSYQYWFMV-UHFFFAOYSA-N 434.153 5.265 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1cccnc1 2331246553 ZOLVMCAAWRGRMV-UHFFFAOYSA-N 442.298 5.902 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)c1cccc(F)c1 2331493075 RQWVZNWUBIRXGE-UHFFFAOYSA-N 448.490 6.082 30 10 IKEE C=CCc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OC(=O)[C@H]1CCCO1 2331656466 CTGCMWBIGITJCX-XMMPIXPASA-N 448.559 5.638 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3c(C)cc(C)cc3C)cc2)cc1 2331764162 HJLVZILAJYVUHG-UHFFFAOYSA-N 428.528 6.055 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 2331780382 YBJWUJBAXZMWTD-UHFFFAOYSA-N 445.471 5.644 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3cc(C(C)(C)C)ccc3C)cc2)cc1 2331780396 AIAZZJQGQXDBIV-UHFFFAOYSA-N 442.555 6.345 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)C1CCCC1 2331801287 YXPPSRPJDOOHFX-UHFFFAOYSA-N 434.576 6.683 30 10 IKEE C[C@H](CCCN(C)C(=O)OC(C)(C)C)Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339586309 CWGPBUDHPGOPAQ-GOSISDBHSA-N 445.413 5.174 30 10 IKEE CCOc1cc(C(=O)/C(=C\c2c[nH]c3ccccc23)c2nc3ccccc3[nH]2)ccc1OC 12619741 LSBNUOLVUHDMGP-XSFVSMFZSA-N 437.499 5.875 30 10 IKEE CN(C)c1ccc(C(=N\c2ccccc2)/C(=N/c2ccccc2)c2ccc(N(C)C)cc2)cc1 15771463 RNLKPNNSNKLFTO-JWTBXLROSA-N 446.598 6.760 30 10 IKEE Fc1ccc([C@H]2CC(c3cccc(/N=C/c4ccccc4F)c3)=NN2c2ccccc2)cc1 15773277 KUDFUKVPOABZGV-RYBVODPGSA-N 437.493 7.071 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(Cl)c2)cc1 21238490 PIZNLDHAJQCANQ-PPHZAIPVSA-N 444.962 6.718 30 10 IKEE Cc1ccc2c(c1)/C(=N/Nc1nc(-c3ccc(Cl)cc3)cs1)C[C@@H](c1ccccc1)O2 22172330 BQQIHSWUTSRNBS-ZMKXUELPSA-N 445.975 7.112 30 10 IKEE CCOc1ccc(N/C(=N/CCc2c[nH]c3ccccc23)NC(=O)C2CCCCC2)cc1 32943120 HMLNMXGJPHIVKH-UHFFFAOYSA-N 432.568 5.274 30 10 IKEE C=CCOc1cccc([C@@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2Cc2ccco2)c1 35444336 YXWWPPGYIRXECR-KMAVEXBHSA-N 441.483 5.023 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cccc(OCCC)c1 40096003 WGYPXSHLDDWHAB-XDHUDOTRSA-N 449.547 5.177 30 10 IKEE C=CCc1ccccc1OCCCCn1c(CCNC(=O)C(C)(C)C)nc2ccccc21 40198409 SVTXXFUUUPFRSK-UHFFFAOYSA-N 433.596 5.329 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(C(C)C)cc1)C3=O)CN(CCc1cccs1)CO2 41587239 PCHQQKFZGJCUGW-CFRMEGHHSA-N 445.584 6.191 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O3)CN(Cc1cccnc1)CO2 41645903 JLNIUONNUYBFIT-MSXFZWOLSA-N 426.516 5.482 30 10 IKEE CCc1ccc(NC(=O)CSc2nc3ccc(/N=C/c4ccccc4O)cc3s2)cc1 59500282 LPPQCRNGGIZVHJ-AFUMVMLFSA-N 447.585 6.046 30 10 IKEE CCc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4ccc(F)c(Cl)c4)CC3)c2c1 64473979 OQKKQBUQAMDXTF-UHFFFAOYSA-N 436.918 5.316 30 10 IKEE CC(C)c1ccc(N/C(=N\C(=O)c2cccs2)NCCc2c[nH]c3ccccc23)cc1 66437774 TWRHLQHBARIJSN-UHFFFAOYSA-N 430.577 5.793 30 10 IKEE C=CC[C@H](Sc1nnc(-c2ccc(Br)cc2)n1C1CC1)c1ccccc1 72262864 IIBFDFBCWMAUTJ-IBGZPJMESA-N 426.383 6.452 30 10 IKEE CC(C)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]n(-c4ccccc4)c(=O)c32)cc1 101972816 BOWWLZSRFBIMJB-JOCHJYFZSA-N 427.548 5.490 30 10 IKEE COc1ccc2c(c1)c(/C=C1/Oc3cc(OC/C=C\c4ccccc4)ccc3C1=O)cn2C 102721190 OENFZVOFWPXJOD-STAVIKHTSA-N 437.495 5.895 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2ccc(C)cc2C)cc1 169925577 VCZPNIFGPXBKDT-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCCN1C(=S)N[C@@H](c2ccc(OCc3c(F)cccc3Cl)cc2)C(C(C)=O)=C1C 169930447 MIVMCWYVQVYRKX-QFIPXVFZSA-N 446.975 5.562 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3ccccc3OC)cs2)cc(Cl)c1OC(C)C 169940469 UAMRVIXEZMLXBI-MSXFZWOLSA-N 445.972 6.104 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc(C)cc2)=C(O)C(=O)N1c1ccc(C)c(C)c1 169943219 XQXAENXVAQYTBG-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(OC(C)C)cc2)s1 169979511 KLHHQPLCIGTLSD-HXUWFJFHSA-N 440.565 5.068 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2cccnc2)c1 170012663 NDMUNHHVDXKQOY-JOCHJYFZSA-N 432.907 5.130 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc3c(c2)OCO3)=C(c2ccccc2)C1=O 170041342 QSZHBMRMOXVVFQ-UHFFFAOYSA-N 448.563 5.748 30 10 IKEE CC(C)Oc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2)cc1 170053743 NZXDJTHLXRLKEF-QHCPKHFHSA-N 431.463 5.396 30 10 IKEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccccc2)cc1 170055568 TVRPUHLPWKRNQZ-VWLOTQADSA-N 441.527 5.481 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1cccc(O)c1)c1ccc(Cl)cc1 170081506 ZECPMJBKEMCXBO-HXUWFJFHSA-N 440.282 5.482 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1OC 170122300 BAIZKHZRHKNOTE-JOCHJYFZSA-N 449.890 5.140 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@@H]1c1cccc(OC(C)C)c1 170153338 IUJBUZZECDMWAF-NRFANRHFSA-N 443.927 5.124 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2cccs2)cc1 170157685 FNFTYILDAPHYHY-LJQANCHMSA-N 425.893 5.193 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2cccs2)cc1 170158084 BCMCXELYQLMMRP-JOCHJYFZSA-N 433.529 5.547 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccccc1)c1ccc2c(c1)CCCC2 170221718 ZEHPHNLHRZFJQC-QHCPKHFHSA-N 429.541 5.405 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2ccccc2)c1 170223873 VYLOAYMHJNEEHD-XMMPIXPASA-N 425.484 5.021 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1ccccc1 170224757 YIRVWGQRJHTDCP-OAQYLSRUSA-N 449.890 5.146 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2)cc1C 170227259 IKUZWMZFYCIVDM-VWLOTQADSA-N 441.527 5.875 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1ccccc1 170229067 IEFCPTIHGHFADU-JOCHJYFZSA-N 449.453 5.373 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccc(F)cc2)c1 170238813 SMHVCXIEBSVTSX-XMMPIXPASA-N 445.490 5.704 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(F)cc1 170240309 ODEIACAHYKIQJA-RUZDIDTESA-N 437.470 6.070 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@H]1c1ccccc1F 170252733 JJRLOPWCSWMKEY-LJQANCHMSA-N 431.891 5.175 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2c[nH]c3ccccc23)c1 170254138 BAFNJODRUTUNRK-DEOSSOPVSA-N 438.483 5.350 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cc(OC)ccc3Cl)=C(O)C(=O)N2c2ccccc2)cc1 170265510 XMIHXNAECABOIN-HSZRJFAPSA-N 447.918 5.694 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@H]1c1ccccc1C 170276591 VGWVVRIVRHTAQE-XMMPIXPASA-N 435.564 5.896 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccco2)ccc1OC(C)C 170286063 IOVNPFQLSGJLMK-XMMPIXPASA-N 445.515 5.775 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cc(C)ccc2C)[C@H]1c1ccco1 170297011 JLFVWENWGOQECH-QHCPKHFHSA-N 445.515 5.300 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2c2cccc(F)c2)o1 170298965 MLTAKWCLWUMQCF-QHCPKHFHSA-N 431.463 5.389 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1c(C)[nH]c2ccccc12 170311758 ZLQHGDVTPNZFDW-QHCPKHFHSA-N 427.504 5.336 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 170342291 ZCMMTVMRZPRVKD-XMMPIXPASA-N 441.531 5.019 30 10 IKEE CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3cccc(C)c3)sc2c1 170462292 KZASLZFHDOYJOI-NRFANRHFSA-N 444.512 5.543 30 10 IKEE Cc1nn(-c2ccccc2)c(C)c1/C=C\C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 209937398 GMYOCCGSBVKAIX-DUQGCJEPSA-N 425.319 5.190 30 10 IKEE COCCN1C(=O)/C(=C/c2cc(C)n(-c3ccccc3)c2C)SC1=Nc1ccccc1 252638266 YAQQDEQVRJHYNY-CMEWOCMCSA-N 431.561 5.345 30 10 IKEE CCN(CC)c1ccc(C=NN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 254795149 NFRJDAXAKZIQAJ-UHFFFAOYSA-N 426.608 5.274 30 10 IKEE C=C(COCCC)[C@@H](NCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 407121387 RMQLYQHXRARMKW-GOSISDBHSA-N 427.383 5.430 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccc(OC)c2)cc1 526516248 OXBGIBKIQYOZHP-VWLOTQADSA-N 440.499 5.413 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccc(Cl)c2)cc1 526605710 ZIRLWLKKWNAKOI-DEOSSOPVSA-N 444.918 6.058 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)cc2)cc1 526710857 ULNFHCRLCBWWJO-DEOSSOPVSA-N 445.490 5.788 30 10 IKEE CCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1c(OC)ccc2ccccc12 526811476 LBUFGDZDMZGNGJ-YSMPRRRNSA-N 430.577 5.794 30 10 IKEE CCCCOc1ccc(/C=N\n2cnnc2SCc2ccccc2Cl)cc1OCC 526815889 VVAPQBRHINSXRA-QFEZKATASA-N 444.988 5.684 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccc(O)c(OCC)c1 526818237 XQIQBPBLFJKREJ-MSXFZWOLSA-N 448.951 5.302 30 10 IKEE CCCOc1c(/C=N\n2c(CC)nnc2SCc2cc(C)ccc2C)cccc1OC 526818538 NXYGNKYCXRRNDZ-MYYYXRDXSA-N 438.597 5.429 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1cccc(OC)c1OCC 526822218 HDCXKQROVAXYTM-QQXSKIMKSA-N 449.580 5.074 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2ccc(C)cc2)cc1 586233937 UGWXYFDSZNCEIL-UHFFFAOYSA-N 446.616 6.385 30 10 IKEE CC(C)c1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 586250480 IVTSRSXDBMBSKO-UHFFFAOYSA-N 446.616 6.375 30 10 IKEE C=CCN(CC=C)C(=O)c1cccc(NC(=O)NC(c2ccccc2)c2ccccc2)c1 586608515 NPTYJLMXGLASJI-UHFFFAOYSA-N 425.532 5.412 30 10 IKEE N#Cc1cccc(NC(=O)c2ccc(NC(=O)N3CCC(Cc4ccccc4)CC3)cc2)c1 586663242 XTIFZRMBVCMHGW-UHFFFAOYSA-N 438.531 5.297 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2ccc(I)cc2)c1 698419713 PWKBTYVNBDQIGU-SFHVURJKSA-N 448.304 5.606 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 698955211 DUZMQGRUOVNVTO-QMHKHESXSA-N 449.979 5.621 30 10 IKEE Cc1cc(NS(=O)(=O)c2ccc(N=Cc3ccc(OCc4ccccc4)cc3)cc2)no1 1084521247 MABAKQCAUVRKBY-UHFFFAOYSA-N 447.516 5.113 30 10 IKEE CN(C(=O)[C@@H]1[C@H](C=C(Cl)Cl)C1(C)C)[C@H](C#N)c1ccccc1CCc1ccccc1 1088731048 OAYASILIDCOINE-XJUOHMSHSA-N 441.402 6.086 30 10 IKEE COc1ccc(O)c(C=Nc2ccc(N=C3c4ccccc4C(=O)[C@@H]3c3ccccc3)cc2)c1 1565517771 BJAPDPASLPNVLA-HHHXNRCGSA-N 446.506 6.252 30 10 IKEE C/C(C=NN=C1S/C(=C/c2ccccc2F)C(=O)N1Cc1ccco1)=C/c1ccccc1 1772759118 LUQPNGUDHMEXCB-ILPWQEAMSA-N 445.519 5.981 30 10 IKEE COc1ccc(-c2nn(-c3ccc(C)cc3)cc2/C=N\NC(=S)Nc2ccccc2)cc1 1857812203 YUAGBTPALORNPF-QQXSKIMKSA-N 441.560 5.177 30 10 IKEE CSc1ccc(Cl)cc1CC(=O)Nc1cccc(C(=O)Nc2ccccc2C#N)c1 1859118727 KZRFEDNVXJQSIV-UHFFFAOYSA-N 435.936 5.367 30 10 IKEE CCCCCCCCCCNC(=O)c1c2c(nc3ccc(Br)cc13)CCOC2 1859577729 MHKIZZHVTITYMM-UHFFFAOYSA-N 447.417 5.941 30 10 IKEE CCOC(=O)c1sc(NC(=O)c2cc(C(C)(C)C)nc3ccc(F)cc23)c(C#N)c1C 1859643585 MTIPFTYAWXILSH-UHFFFAOYSA-N 439.512 5.342 30 10 IKEE CCOC(=O)c1sc(NC(=O)C2(Oc3ccc(C)cc3)CCCCC2)c(C#N)c1C 1859736261 TXPVVFCAOLCJIT-UHFFFAOYSA-N 426.538 5.134 30 10 IKEE CCc1cccc(OCC(=O)Nc2ccc(Cl)c(NC(=O)c3cccc(C#N)c3)c2)c1 1860453738 YIIXMCFZYHLTIS-UHFFFAOYSA-N 433.895 5.044 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(OC)c(OC)c1 1861068699 NPHVUCARCNESQK-OAQYLSRUSA-N 434.621 5.105 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccc3c(c2)CCCN3C)cc1 1862393743 CDENEXLKLIXFIZ-VWLOTQADSA-N 444.575 5.152 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1cccc(C)c1 1862411924 RJFUOFBWDPYACD-HSZRJFAPSA-N 441.518 6.212 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2cccs2)cc1 1862412623 JCEFKLNUKAIJLT-HXUWFJFHSA-N 425.456 5.113 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCOc2ccccc2)c1 1862444046 WSQMYPIKOKDFEA-HSZRJFAPSA-N 447.918 5.306 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCC(C)C)c1 1862446921 DOAIJMUPGJIDKX-OAQYLSRUSA-N 427.928 5.363 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(N(CC)CC)cc1 1862451499 HKNZSDPVIMNWLD-ZHRRBRCNSA-N 440.971 5.563 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862479657 MTACKQLUWVIKKE-QHCPKHFHSA-N 435.564 5.297 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccccc2F)c1 1862489840 IQCYYBFPBNZFKE-MHECFPHRSA-N 429.491 5.782 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc3cc[nH]c3c2)c1 1862490985 JCSMMCUYFJNPIK-VWLOTQADSA-N 442.559 6.086 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(C(C)C)cc1 1862492879 CBEIVCNGJPBIFU-VWLOTQADSA-N 433.592 6.585 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C)cc2)cc1 1862513828 AAVCXISJZGCTHF-QHCPKHFHSA-N 431.488 5.155 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN(CC)CC)[C@@H]2c2ccccc2C)cc1 1862532602 HWHVFTVQPHCGSR-RUZDIDTESA-N 448.607 5.258 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(OC)cc3)[C@H]2c2ccc(C)cc2)cc1 1862534831 XUQIYBUQQQDOQD-VWLOTQADSA-N 441.527 5.345 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2C2CCCC2)cc1 1862538630 OYNVHHUINAQFOF-RUZDIDTESA-N 447.575 5.949 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2ccc(C)cc2)cc1 1862589186 GKPOLMKEFXVEIK-CJAUYULYSA-N 441.527 5.603 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C2CCCCC2)cc1 1862601016 UKLIALILEGQQJK-DEOSSOPVSA-N 448.563 5.149 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccccc1Cl 1862662502 XSMJJWRMWPZGAI-JOCHJYFZSA-N 441.955 5.468 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1862670036 KNXUSRQGKULCOK-FQEVSTJZSA-N 442.899 5.358 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862676836 SAUFDCAVMIWGEH-DEOSSOPVSA-N 449.522 5.693 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1cccc2ccccc12)c1ccc(F)cc1 1862678264 PBZHZCMNFWXCPL-RUZDIDTESA-N 437.470 5.757 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2Cc2cccs2)cc1 1862713726 UYOLLMBRUCQLNI-DEOSSOPVSA-N 439.536 5.988 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(Cl)cc1Cl 1862722345 YJAZCUNSGZVUEP-HXUWFJFHSA-N 426.299 5.745 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1c(Cl)cccc1Cl 1862760695 UMDFZDSNYWFRDN-GOSISDBHSA-N 449.290 5.136 30 10 IKEE C[C@@H](CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc(C#N)c1)c1cccc(Cl)c1 1867184470 KCGJIAJNBMCCGL-MHECFPHRSA-N 445.950 5.071 30 10 IKEE C=CCN(CC=C)c1cc(N2CCOc3ccccc32)nc(-c2ccc(OCC)cc2)n1 1867996191 ZHWYRPNMCCMLIE-UHFFFAOYSA-N 428.536 5.251 30 10 IKEE CC(C)(C)c1nc(Nc2ccc(C#N)cc2)cc(N2CCO[C@H](c3ccc(Cl)cc3)C2)n1 1868355885 QSPZICUMQPDOHQ-NRFANRHFSA-N 447.970 5.621 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N2CCC[C@H](C)C2)nn1-c1ccc(OC)cc1 1869987417 CVWUACHFFSVSGB-IBGZPJMESA-N 427.593 5.201 30 10 IKEE CCCCCCCOc1cn(Cc2cccnc2)c(CN(CCCC)CCCC)cc1=O 1870410814 GZNGXKVSLYWQPS-UHFFFAOYSA-N 441.660 6.043 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(CC)cc2)c(=O)cc1CN1CCCCC1 1870465128 MSIYHBJJLPDQNV-UHFFFAOYSA-N 438.656 6.336 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCC2CCCCC2)cn1CCc1ccc(C)cc1 1870483202 MBCQELMLUXQMOK-UHFFFAOYSA-N 434.624 5.533 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)N[C@@H](C)CC)c(=O)cc1CN(CC)CC 1870533007 WQFGSOLSDQOQHD-QFIPXVFZSA-N 449.680 5.124 30 10 IKEE CCCCCCCOc1cn(CCC(C)C)c(CNc2cccc(N(C)C)c2)cc1=O 1870833216 CZSVZEOHOBWMFB-UHFFFAOYSA-N 427.633 5.922 30 10 IKEE C#CCOc1cn(CCc2ccccc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871005566 MIONCWWBYKCBIM-UHFFFAOYSA-N 449.554 5.459 30 10 IKEE C#CCOc1cn(Cc2ccccc2Cl)c(CNc2ccc(Cl)c(C)c2)cc1=O 1871005771 XZHXGQJKTHTBLB-UHFFFAOYSA-N 427.331 5.136 30 10 IKEE C#CCOc1cn(CCC(C)C)c(CNc2ccc(Cl)c(C(F)(F)F)c2)cc1=O 1871006554 LPLUETZTMZZKAW-UHFFFAOYSA-N 426.866 5.191 30 10 IKEE C=CCn1cc(OCCCOc2cccc(C)c2)c(=O)cc1CNc1ccccc1CC 1871220347 ZVIIKUCQUGBCTL-UHFFFAOYSA-N 432.564 5.365 30 10 IKEE C=CCn1cc(OCCCCOc2ccc(C)cc2)c(=O)cc1CNc1cccc(C)c1 1871226420 QTXREFZIVNQLIN-UHFFFAOYSA-N 432.564 5.501 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OC(=O)CCCOc4ccccc4)c3C)C2=O)cc1 1871370860 CPQLHZMMRMFSAL-BWAHOGKJSA-N 442.511 5.938 30 10 IKEE CCCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2sccc2C)C3=O)cc1 1871378510 PVYYYNDLESYVQA-PDIQIHEYSA-N 446.524 6.080 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(OC)cc2)C3=O)c1 1871388236 ZTEJBFSUNBOZAG-OYKKKHCWSA-N 430.456 5.319 30 10 IKEE Cc1cc(OC(=O)c2ccc(OC(C)C)cc2)cc2c1C(=O)/C(=C/C=C/c1ccccc1)O2 1871388256 LSCRIMZVNNOMNN-MCBOVYRESA-N 440.495 6.174 30 10 IKEE C[C@@H](Oc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O)C(=O)Nc1ccc(F)cc1 1871401181 VXJMLEQGQYZNBT-JCRYTKJOSA-N 437.854 5.501 30 10 IKEE CCc1cccc(CC)c1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O 1871408381 SDIPGVSZTMQKIH-SAHIIKMKSA-N 441.527 5.834 30 10 IKEE COc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccc(C)cc4C)ccc3C2=O)cc1 1871410606 FSYCMVJYPXSLIN-DBXOKZBGSA-N 443.499 5.334 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OCC(=O)C(C)(C)C)cc(C)c3C2=O)c2cc(OC)ccc21 1871419109 FFYLIMJFTNEEPG-KSEXSDGBSA-N 447.531 5.588 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O 1871424293 DXMMFIYAHVWVPW-QRVIBDJDSA-N 431.463 5.330 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OCC(=O)N[C@H](C)c4ccccc4)c3C)C2=O)c1 1871424596 OTSPIHUPEFGZGH-YPFLROGLSA-N 427.500 5.176 30 10 IKEE Cc1cc(OCCN2CCCCC2)cc2c1C(=O)/C(=C/c1ccc(Cl)c(Cl)c1)O2 1871451468 WUTMGLCBZHXTRF-BKUYFWCQSA-N 432.347 5.783 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccccc3)cc(C)c2C1=O 1871460616 WCRKGWFEBXGYOV-UCQKPKSFSA-N 429.472 5.027 30 10 IKEE CCCCCCCCCCNC(=O)c1nonc1OCCCOc1ccc(CC)cc1 1872711694 OEFNXLKFINAZAY-UHFFFAOYSA-N 431.577 5.350 30 10 IKEE C=CCN1C(=O)C(Nc2cc(Cl)ccc2C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422669 IWTJFPWOQYXHEN-UHFFFAOYSA-N 445.950 5.434 30 10 IKEE Cc1cc(OCCCC(=O)Nc2c(C#N)cnn2-c2cc(F)cc(F)c2)cc(C)c1Cl 1873685114 XIIFFUZFUDYCLH-UHFFFAOYSA-N 444.869 5.090 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1c2ccccc2C(=O)N([C@H](C)CC)C12CCCC2 1873937008 WNSVYPWYRSCCNK-RDGATRHJSA-N 440.672 6.594 30 10 IKEE CSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1/N=C/c1ccc(F)cc1 1874195538 TXLVWXXECWHQJV-PCLIKHOPSA-N 426.561 5.330 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2ccccc2F)n1/N=C/c1ccccc1 1874300448 JSYVYTYJCFZQOC-JFLMPSFJSA-N 446.551 5.788 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2C)n1/N=C/c1ccccn1 1874361625 YDWUOTAEDFJERM-WPWMEQJKSA-N 427.577 5.250 30 10 IKEE CCSc1nnc(-c2ccccc2)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1874427364 FSTRCGOECBKGFA-WGOQTCKBSA-N 448.979 6.172 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCCC)nnc2[C@@H]2CCCO2)cc1OCC 1874450244 XAGSBTUYICTOHJ-LKZQPVPRSA-N 432.590 5.092 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccco3)n2/N=C/c2c(F)cccc2Cl)c1 1874466850 FMOTZFHONUBJCZ-BRJLIKDPSA-N 440.931 6.122 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCC(=O)Nc3ccc(F)cc3)nnc2C(C)C)cc1 1874511504 BJAKYFJZCSQPBI-DHRITJCHSA-N 439.560 5.277 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(SCc2ccc([N+](=O)[O-])cc2)nnc1C1CC1 1874518377 QGXSAWMTAYEGKT-YDZHTSKRSA-N 437.525 5.025 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CC2)c1 1874519832 OAPKNUGVWFICBX-ZVHZXABRSA-N 426.973 5.772 30 10 IKEE CCc1ccccc1NC(=O)COc1ccccc1/C=C/C(=O)c1ccc2c(c1)CCCC2 1874571814 HUNIQYDMSAVXPO-ISLYRVAYSA-N 439.555 6.041 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cc(Cl)ccc1OCc1ccccc1 1874585297 RBGPNTQZGKUKFS-JLHYYAGUSA-N 434.963 7.121 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccccc1OCc1cccc(Cl)c1 1874589492 ONUKYRVOJLKPCD-ZHACJKMWSA-N 427.327 6.786 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)c(Cl)c2)cc1 1874604256 CMNIQAMVHDGRLL-LSSBLYJVSA-N 447.962 6.055 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Cl)c1OCc1ccc(C)cc1 1874608729 DNDMEFZZTRAEKE-VAWYXSNFSA-N 427.327 6.786 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1OC(=O)Cc1ccc(C)c(C)c1 1874698827 PWHUTCIGKVRXLR-UXBLZVDNSA-N 436.454 5.634 30 10 IKEE CC(C)c1ccc(O[C@H](C)C(=O)Oc2cccc(/C=C/C(=O)c3ccc(F)cc3)c2)cc1 1874708489 FTSKLLRNDVNPNX-MERDRXRJSA-N 432.491 6.218 30 10 IKEE CC(C)COc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(C(C)C)cc3)c2)cc1 1874710044 QIZAHEWLGKAHNO-CAOOACKPSA-N 442.555 6.960 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](C(C)(C)C)CSc2nnc(CCc3cccs3)n21 1874997960 VVJLZUQNDQYLJP-LJQANCHMSA-N 448.702 5.860 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)Cc3ccc(C)cc3)c(OC)c2)cc1 1875103616 HTPVFTOETQXHHC-SDNWHVSQSA-N 448.946 6.264 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1OC 1875104347 SGSYAEASZGUEDZ-VMPITWQZSA-N 427.711 6.257 30 10 IKEE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2Cl)cc1 1875128141 PGLOYFADCDCCNZ-POUQMFDLSA-N 448.946 6.732 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3c(C)cccc3C)c([N+](=O)[O-])c2)cc1 1875135820 IXIMIZOOIQGDHX-UKTHLTGXSA-N 445.471 5.401 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2OC)cc(OC)c1OC(=O)c1ccncc1 1875144180 ITOKNISLBOEQPQ-CMDGGOBGSA-N 443.499 5.251 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)ccc1OC(=O)C(C)(C)C 1875164495 MKTKTSBUAHPSAR-MHWRWJLKSA-N 430.500 6.335 30 10 IKEE CCCCCCC[C@@](C)(O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1917173714 HUABBMWAKHAKLP-JYFHCDHNSA-N 439.552 5.090 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(F)F 1922097441 ASPYENFOJDOHCM-SFTDATJTSA-N 438.559 5.020 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 1944698929 WBGJYFLBVUOSDO-ICSRJNTNSA-N 429.561 5.276 30 10 IKEE CC(C)(C)OC(=O)N1CCC([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)CC1 1944712295 HFTBIBREXIGXNC-FQEVSTJZSA-N 435.609 5.486 30 10 IKEE CC(C)N[C@@](C#N)(CCCN(CCN(C)Cc1ccccc1)Cc1ccccc1)C(C)C 2034739260 JFOBNSZAJPESRD-MUUNZHRXSA-N 434.672 5.317 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Br)c(Cl)c1 2041574735 NEDSBHUVAMMKQD-IAGOWNOFSA-N 431.802 5.613 30 10 IKEE COc1cccc2cc(C(=O)C=Cc3csc(N(C(C)=O)c4cccc(C)c4C)n3)oc12 2042448495 GPQIJOKWTGVQHC-UHFFFAOYSA-N 446.528 6.095 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)cc(Br)c1)NCCC 2063090788 VHRLHZVSMZIVTR-IRXDYDNUSA-N 431.802 5.093 30 10 IKEE C#CC[C@H](CNc1cc(Br)c(Br)c(Br)c1)C1CC1 2076101588 FIDBUJIIAVLODU-SNVBAGLBSA-N 435.985 5.436 30 10 IKEE COc1ccc([C@H](C2CCC2)n2nc(C3CCC3)c(C=NO)c2Br)c(C)c1 2079895618 WILLLKWAWBXFTG-FQEVSTJZSA-N 432.362 5.428 30 10 IKEE CC(C)c1ccc([C@@H](C2CCC2)n2nc(C3(C)CC3)c(C=NO)c2Br)cc1 2079957155 JAYSJJFDHWDCAP-LJQANCHMSA-N 430.390 6.018 30 10 IKEE COc1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)ccc1C 2149628093 NNUOWEIRASCALT-GOSISDBHSA-N 431.330 5.773 30 10 IKEE C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNc2ccc(C#N)c(Br)c2)cc1 2162321317 ULUWQXYFRCAZSI-AWEZNQCLSA-N 430.346 5.519 30 10 IKEE CN(Cc1ccc(NC(=O)OC(C)(C)C)cc1)Cc1ccc(Br)cc1C#N 2174558399 ZULCXYDLNBFKEH-UHFFFAOYSA-N 430.346 5.300 30 10 IKEE CCCCN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cccc(Br)c1C#N 2174815363 SEXCLQLOWKRJEY-INIZCTEOSA-N 436.394 5.327 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)COC2(CCCCC2)C1 2179043106 KMBRJXQUNHAMAF-HXUWFJFHSA-N 435.362 5.576 30 10 IKEE CC(C)(C)OC(=O)NC1(CNc2ccc(Br)cc2C#N)CCC(F)(F)CC1 2201480767 UIZJJGYNMMFOJK-UHFFFAOYSA-N 444.320 5.205 30 10 IKEE CCCCC#CC[C@@H](NCCC)c1cc(Br)ccc1I 2203821100 BEAUMIVLCDRZFL-QGZVFWFLSA-N 448.186 5.678 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCCC)c2cccc(OC)c2Br)C1 2207379730 RUBIDUYKWRNYGO-SFHVURJKSA-N 439.394 5.112 30 10 IKEE C=CCC[C@](C)(CO)N(C(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(F)c1 2211065665 FODBSDHIPRSXPE-MUUNZHRXSA-N 445.534 6.298 30 10 IKEE C=CCCCCCCC[C@@H](N)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2227274650 VOWRBGOHYVYYRN-LJQANCHMSA-N 425.411 6.713 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Cl)cc(C(=O)C#Cc2ccccc2Br)c1 2227491423 SBLCIKIVBUPEKT-UHFFFAOYSA-N 434.717 5.684 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CN[C@@H]2CCCC[C@H]2C1 2279694215 KLILHZFZFJVGNF-RRMPHLOHSA-N 434.378 5.005 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCCC)c2ccc(Br)c(OC)c2)C1 2281496636 LGEMRJQDVQKHJR-GOSISDBHSA-N 439.394 5.112 30 10 IKEE CCC[C@]1(CNc2c(Br)cccc2C#N)CCCCN1C(=O)OC(C)(C)C 2285180221 DESUPISDJGULOR-OAQYLSRUSA-N 436.394 5.693 30 10 IKEE C=CCC[C@H](C)[C@](C)(OCC(=O)O)c1cc(Br)c(Br)s1 2291003332 HJXHBQSQBMGPPO-XPTSAGLGSA-N 426.170 5.192 30 10 IKEE CN[C@@H](C#Cc1ccc(Br)cc1)c1ccc(C)c(NC(=O)OC(C)(C)C)c1 2296306774 LRMVTOYQJPOIPV-IBGZPJMESA-N 429.358 5.417 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(OCC(=O)OC(C)(C)C)c3C)C2=O)c2ccccc21 2296871793 FPSKOHSZTNPLJA-UHFFFAOYSA-N 433.504 5.306 30 10 IKEE CC(=C1SC(=Nc2nc(C)cs2)N(C2CCCCC2)C1=O)c1ccc([N+](=O)[O-])cc1 2314543955 PSJSRLSKDIZYRB-UHFFFAOYSA-N 442.566 5.687 30 10 IKEE CC(=C1SC(=Nc2cccc(C(=O)O)c2)N(C2CCCCC2)C1=O)c1ccc(N)cc1 2314548495 UIIHYVSQKHPCNC-UHFFFAOYSA-N 435.549 5.294 30 10 IKEE Cc1ccc(C=Nn2c(SCc3c(Cl)ccc(Cl)c3Cl)nnc2C(C)C)[nH]1 2321841197 VEOPOXLANLWBSM-UHFFFAOYSA-N 442.803 6.173 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(F)cc1)O3)CN(C13CC4CC(CC(C4)C1)C3)CO2 2322238564 CKCFKGLNAXAXFL-UHFFFAOYSA-N 445.534 5.871 30 10 IKEE COc1ccc([C@H](C)N2COc3ccc4c(c3C2)OC(=Cc2ccccc2C)C4=O)cc1 2322239874 PNXHSCLSOIQUQS-SFHVURJKSA-N 427.500 5.533 30 10 IKEE Cc1ccc(OCc2nnc(S)n2N=Cc2ccc(C(C)(C)C)cc2)c(C(C)(C)C)c1 2322260422 SOPPUFPVBZSAFN-UHFFFAOYSA-N 436.625 5.931 30 10 IKEE O=C(C=Cc1c(OCc2ccccc2Cl)ccc2ccccc12)c1cccc([N+](=O)[O-])c1 2322307978 NJYIJNVDUGFMQK-UHFFFAOYSA-N 443.886 6.877 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2ccc(Cl)cc2Cl)cc1 2322371025 FNSJCAQCZXPXSD-UHFFFAOYSA-N 441.354 7.040 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1 2322450161 QGLWSANGIWIUJA-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE CC1(C)OB([C@]23C[C@H]2CCN(Cc2sc(Cl)cc2Br)C3)OC1(C)C 2322454635 GVWLBWHRNRYXSJ-DIFFPNOSSA-N 432.620 5.222 30 10 IKEE Cc1cccc(COc2ccc(Cl)cc2C=CC(=O)c2ccc(Cl)c(Cl)c2)c1 2322585631 MTRSPVLEPIMOGV-UHFFFAOYSA-N 431.746 7.430 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccccc2OCC(=O)N[C@H](C)c2ccccc2)cc1 2322605095 KNWNKZNPKRYLAD-OAQYLSRUSA-N 443.543 5.628 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccccc2OCc2c(Cl)cccc2Cl)cc1 2322681209 YRCSOOSMQMYIST-UHFFFAOYSA-N 439.382 7.766 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc3C2=O)cc1 2322701051 AEUWMOXTUUYSHE-UHFFFAOYSA-N 447.918 6.022 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)NC2CCCCC2)cc1F 2322708607 JZCCIACVBUMXRQ-UHFFFAOYSA-N 445.918 5.212 30 10 IKEE C=C(C)COc1ccc(Br)cc1C=CC(=O)c1ccc(OC)c2ccccc12 2323009507 FNEIWXQQGOTSBZ-UHFFFAOYSA-N 437.333 6.462 30 10 IKEE Cc1c(OC(=O)c2ccc([N+](=O)[O-])cc2)ccc2c1OC(=Cc1ccc(C(C)C)cc1)C2=O 2323149452 YVVHJQULFHKKFA-UHFFFAOYSA-N 443.455 5.862 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)c1 2323177507 AHISEPRWNQYEJY-UHFFFAOYSA-N 449.459 5.096 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OCc3ccccc3F)c(OC)c2)cc1 2323627400 VCIHTLIOQQDCNI-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4c(Cl)ccc(Cl)c4Cl)ccc3C2=O)o1 2323656546 PXGYBIVADUQBCL-UHFFFAOYSA-N 449.673 6.384 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 2323700358 LXECLCCWSXWKCC-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE CCCOc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(OC)cc2)C3=O)cc1 2323823550 SHOULRTYZPMZMZ-UHFFFAOYSA-N 444.483 5.628 30 10 IKEE COc1cc(C=NNc2nc(-c3ccccc3)cs2)ccc1OCc1cc(C)ccc1C 2323844108 DGKDXBVCYHXGTJ-UHFFFAOYSA-N 443.572 6.461 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)cc1 2323865587 WIUJIOCVOBHFSL-UHFFFAOYSA-N 430.431 5.534 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)cc3C)c([N+](=O)[O-])c2)cc1 2323900997 ZGDYDOABTZUDCU-UHFFFAOYSA-N 444.487 5.434 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)c(C)c1C 2324305005 LZEQQCXZIKMKQR-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE Cc1cc(O[C@H](C)C(=O)Nc2ccccc2)cc2c1C(=O)C(=Cc1ccc(N(C)C)cc1)O2 2324406030 LJPIEBWOTOMLRD-GOSISDBHSA-N 442.515 5.083 30 10 IKEE Cc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1C)OC(=Cc1cccc(Cl)c1)C2=O 2324412977 SFGQGXUXUZVKNI-KRWDZBQOSA-N 447.918 5.979 30 10 IKEE COc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1ccccc1C)C2=O 2324474139 USNLIBBLMTWLBS-GOSISDBHSA-N 443.499 5.334 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4cccc(C(F)(F)F)c4)ccc3C2=O)o1 2324901929 MTNBZOPQRDAAOH-UHFFFAOYSA-N 443.377 5.241 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1cccc(O)c1 2325535485 IOCZWPDKNLWWNT-UHFFFAOYSA-N 435.380 5.808 30 10 IKEE CCC(=O)Oc1cc(C=CC(=O)c2ccc3ccccc3c2)c(Br)cc1OC 2325699905 ZJXAIFBZYNYBFS-UHFFFAOYSA-N 439.305 5.822 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3cccc(C=CC(=O)c4ccc5ccccc5c4)c3)c(C)c2c1 2325700633 ASEGSUANTITVBP-UHFFFAOYSA-N 445.518 7.053 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3c(F)cccc3Cl)c2)cc1 2325704669 MECPOYDPAJCREX-UHFFFAOYSA-N 438.882 6.165 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4cc(C)cc(C)c4)c3C)C2=O)cc1 2325721970 RQCGDOVIXARTBP-UHFFFAOYSA-N 441.527 5.808 30 10 IKEE CCCc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3cccc(Cl)c3)c2)cc1 2325728595 ZGDHCBLELNAYCN-UHFFFAOYSA-N 434.919 6.173 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1)c1cccc(Cl)c1 2325728807 ICZQPSSPHSACKC-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE Cc1cc(C(=O)C=Cc2cccc(OC(=O)CC34CC5CC(CC(C5)C3)C4)c2)ccc1F 2325742144 NLPDVJKSWODMCC-UHFFFAOYSA-N 432.535 6.542 30 10 IKEE COc1ccc(C(=O)Oc2cccc(C=CC(=O)c3cc(Cl)cc(C)c3OC)c2)cc1 2325763954 PPCUNWKQAGGANY-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cccc(F)c3)c2)cc1Cl 2325767514 JMXJWQDJKCERSX-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE C=CCSc1nnc(COc2c(C)cccc2C)n1N=Cc1ccc(Cl)c(Cl)c1 2328559497 GLCOEUYBEHHOIL-UHFFFAOYSA-N 447.391 5.941 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)C=C(c1ccc(C)c(C)c1)C1CC1)c1ccccc1 2329551844 YDTUBLQVEXBYBE-MHZLTWQESA-N 428.576 5.155 30 10 IKEE Fc1ccc(C=Nn2c(CCc3cccs3)nnc2SCc2cccc(F)c2)cc1 2329645003 JXVIXJSODPXFNP-UHFFFAOYSA-N 440.544 5.578 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@@H](C)c3ccccc3)n2N=Cc2cccs2)c1 2330132947 FLMZAIMUHNWBMZ-IBGZPJMESA-N 432.618 6.283 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3ccc(F)cc3)nnc2-c2ccccc2)c1 2330639961 AOYNOMCPLLNACW-UHFFFAOYSA-N 432.524 5.657 30 10 IKEE CCSc1nnc(-c2ccccc2)n1N=Cc1ccccc1OCc1ccccc1Cl 2330659382 SMLZWKUPWLEDBL-UHFFFAOYSA-N 448.979 6.172 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2cccc(Cl)c2)cc1 2330701387 XYGGKFSWRYOQER-UHFFFAOYSA-N 439.371 6.426 30 10 IKEE CSc1nnc(C(F)(F)F)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2331105169 OGHSBZSAIKNSJG-UHFFFAOYSA-N 426.851 5.133 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OC(=O)c1cccc(Cl)c1 2331108735 GIXDNMGVJMTXTA-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE FC(F)(F)c1nnc(SCCc2ccccc2)n1N=Cc1ccc(Cl)cc1Cl 2331142376 FINRCCNKUSBOJP-UHFFFAOYSA-N 445.297 5.821 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)c1ccc(OCC(C)C)cc1 2331184433 ALVKNBHUYZYQMG-UHFFFAOYSA-N 430.500 5.845 30 10 IKEE CCCCc1nnc(SCC(=O)OCC(C)C)n1N=Cc1ccc(C(C)(C)C)cc1 2331349206 ZYLKUIWEGNIVRT-UHFFFAOYSA-N 430.618 5.092 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(CC(C)C)nnc1SCc1ccccc1C 2331431903 CEPRELOICOYOID-UHFFFAOYSA-N 444.604 6.121 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1Cl 2331439812 PGLUQIDDUPMFLL-UHFFFAOYSA-N 434.875 5.503 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)C3CCC3)c(OC)c2)c(C)c1C 2331611995 OYEUNLXAFIHOIK-UHFFFAOYSA-N 428.912 5.576 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)cc3F)cc2)c1C 2331641596 KNISMLCNFNPVCI-UHFFFAOYSA-N 434.482 6.243 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc(Cl)c1OC(=O)C1CCC1 2331666023 YBFWZBOHSYAYNH-UHFFFAOYSA-N 442.939 5.966 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2cc(OC)c(Cl)cc2OC)cc1[N+](=O)[O-] 2331690078 HDNDIVDKAHTSHD-UHFFFAOYSA-N 447.871 5.257 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1ccc(Cl)cc1 2331709432 UJWQUFKGPXHGJC-UHFFFAOYSA-N 434.919 6.471 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCC)c2cc(Cl)cc(Br)c2F)C1 2337105701 AFFKRWKXBOLBQB-MRXNPFEDSA-N 447.776 5.506 30 10 IKEE CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339596682 RPOBPOOISWYZNH-XMMPIXPASA-N 446.397 5.044 30 10 IKEE CCCN[C@H](C#CC(C)(C)OC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2363531872 CFASWQWWWYYBKS-GOSISDBHSA-N 439.394 5.265 30 10 IKEE O=C1CCCC2=C1[C@H](c1cccs1)n1nc(SCc3ccccc3Cl)nc1N2 1283604 LYLKXALWDMFGQR-SFHVURJKSA-N 428.970 5.307 30 10 IKEE Cc1ccc([C@@]2(C(F)(F)F)N=C(Nc3ccccc3)C3=C(CC(C)(C)CC3=O)O2)cc1 12618989 DLUSXSDVLAVCRZ-HSZRJFAPSA-N 428.454 5.894 30 10 IKEE COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2cccc(C)c2)cc1OC 28052525 TWCIAMNXLKVWJP-KOSHJBKYSA-N 430.504 5.267 30 10 IKEE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/Nc2oc(C)nc2C#N)cc1 33959127 QXRZTCOSHHJEJI-JVWAILMASA-N 440.507 5.332 30 10 IKEE COc1cccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(-c4ccccc4)cc3)c2)c1 34954581 CACPBOCBLCAWJD-QGOAFFKASA-N 434.491 6.478 30 10 IKEE C=CCOc1cccc([C@@H]2C(C(=O)c3cccc(OCC)c3)=C(O)C(=O)N2CCCC)c1 40101062 OMWSNDOTLAEWLG-HSZRJFAPSA-N 435.520 5.029 30 10 IKEE O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccccc2OC(F)(F)C(F)F)c1O 59378875 FCZFTLIBJNSFHP-QPSGOUHRSA-N 437.143 5.050 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2ccc(OCCC3CCCCC3)cc2)cc1 100245164 KZUWQYRZAIHCHX-UHFFFAOYSA-N 437.624 7.637 30 10 IKEE CCN1C(=O)/C(=C/c2ccccc2Cl)S/C1=N/c1nc(-c2ccccc2)cs1 101130308 VAUVOPUXHONSPG-FKHPOCDDSA-N 425.966 6.087 30 10 IKEE CCCCCCCOc1c(Cl)cc(C(=O)Nc2nnc(SC)s2)cc1Cl 101139839 XUZQMHPJSJRMLV-UHFFFAOYSA-N 434.414 6.168 30 10 IKEE COc1ccccc1CN1Cc2cc3ccc(C)c(C)c3nc2S/C1=N\C[C@@H]1CCCO1 101496175 SYLXODUELMHFDE-RIACQAHJSA-N 447.604 5.503 30 10 IKEE O=C1C(=O)N(c2ccc(F)cc2)[C@H](c2ccc(F)cc2)/C1=C(/O)c1ccc(Cl)cc1 102568231 BAABDVIXYBAOLD-GOBJLOIFSA-N 425.818 5.245 30 10 IKEE Cc1ccc([C@H]2/C(=C(/O)c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc1 103097694 CTHXWBFZDBUQQK-HQMFNGAOSA-N 438.936 5.348 30 10 IKEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccc(C)cc2)cc1 103114419 LKDWWGIPGQVYER-VFJWVMJUSA-N 440.524 5.539 30 10 IKEE SCCCCCOc1c(Br)cc(Br)cc1Br 127126868 NYHYXKYIBMEXSL-UHFFFAOYSA-N 433.003 5.453 30 10 IKEE CCCN1C(=S)N[C@H](c2ccc(OCC)c(Cl)c2)C(C(=O)c2ccccc2)=C1C 169928608 NKJDANDZYWIQTB-OAQYLSRUSA-N 428.985 5.537 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2c2ccccc2C)c1 169937108 JJZOZZLPFCNQND-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2cccs2)c(C)c1 169983731 HKQNYZOAPDEHBL-FQEVSTJZSA-N 441.455 5.126 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2ccc(C)cc2)c1 170036631 MMQAMKBOFILANR-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2Cc2ccco2)c1 170038740 IFKLFKXBUSMPHR-QHCPKHFHSA-N 431.488 5.019 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@@H]1c1ccc(F)cc1 170062498 HTNIZZRZSYVPIA-XMMPIXPASA-N 445.490 5.542 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccccc2F)cc1C 170070815 YBIHSTUZEVHYKS-QFIPXVFZSA-N 435.882 5.879 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(C)c2)c1 170143800 HDOACBOGKAPEGN-QHCPKHFHSA-N 431.488 5.155 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccs2)c1 170158563 PRHQHZQDLSHDCC-HJPURHCSSA-N 445.540 5.471 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccccn1)c1cccc(Cl)c1 170173531 CRNGCUNHMDYEBT-IBGZPJMESA-N 425.271 5.171 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccncc2)ccc1OCC(C)C 170209479 YPTYMMFENBLELK-DEOSSOPVSA-N 448.563 5.336 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccccc2)c1 170225239 RGCZOJGTMFUPRF-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(F)cc2)ccc1OC(C)C 170239641 LEDKVBLFBSVNRU-XMMPIXPASA-N 445.490 5.704 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccc(F)cc2)c(C)c1 170240077 YFHPCNZKOQEMDM-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccccc2F)c1 170248561 HINIMJXLDJRJJH-DEOSSOPVSA-N 445.490 5.704 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@@H]1c1c[nH]c2ccccc12 170255221 DOSBNPVOZVSLHC-QFIPXVFZSA-N 432.520 5.172 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccco1)c1ccc2c(c1)CCCC2 170286901 HFBDODOOYKNAEC-JOCHJYFZSA-N 433.891 5.595 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2Cc2cccnc2)o1 170307680 QUNCTXFQBZEONT-HSZRJFAPSA-N 444.531 5.367 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccc(OCC(C)C)c2)c1 170365706 HVDYROJWENBCMY-VWLOTQADSA-N 441.527 5.813 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1cccc2ccccc12)c1cccs1 170420726 KTHVJLPJDQVYDW-HSZRJFAPSA-N 443.499 5.819 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Oc3ccccc3)cc2)[C@@H]1c1cccs1)c1ccco1 170476866 UEOFUODCNWRFDN-JOCHJYFZSA-N 443.480 5.916 30 10 IKEE Cc1c(N=Cc2ccc(OC(=O)c3ccccc3Cl)cc2)c(=O)n(-c2ccccc2)n1C 252622534 NXQGDFSZBZGREB-UHFFFAOYSA-N 445.906 5.108 30 10 IKEE C=CCn1c(SCCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1ccc2ccccc2c1 253572742 QNZDWFADOUZZSR-UHFFFAOYSA-N 442.588 6.022 30 10 IKEE C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C/c1cccc(Cl)c1Cl)C2=O 253578364 YGBQOUNQDOEMKJ-INEIWRMPSA-N 445.430 6.880 30 10 IKEE CC(C)(C)c1cc2nc(C(F)(F)F)cc(NN=Cc3ccc(C(F)(F)F)cc3)n2n1 254817600 ZSPXTAKRORRFEA-UHFFFAOYSA-N 429.368 5.510 30 10 IKEE CC(=NNC(=S)Nc1cc(C)ccc1C)c1ccc(OC(F)F)cc1OC(F)F 254825019 WIRFUMPZQOJWPJ-UHFFFAOYSA-N 429.439 5.217 30 10 IKEE C=C(CC[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C 257445886 ILQUAQTXYDCHSY-RQZOLXCVSA-N 442.728 7.546 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccc(OC(C)C)c2)cc1 526605371 WJUMALJSCKLQFL-VWLOTQADSA-N 440.499 5.411 30 10 IKEE Cc1ccc(SC2=C(Nc3cccc(C)c3)C(=O)N(c3ccccc3C#N)C2=O)cc1 526640402 QMCPXQIYTMVNCL-UHFFFAOYSA-N 425.513 5.164 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)ccc1O 526709346 UGAYGUQPOHYFFW-JOCHJYFZSA-N 449.890 5.227 30 10 IKEE CCCOc1ccc(/C=N\n2cnnc2SCc2cccc3ccccc23)cc1[N+](=O)[O-] 526820606 WGPPCEJDYUQUAH-QFEZKATASA-N 447.520 5.303 30 10 IKEE Fc1cccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2cccc(F)c2)c1 526826079 SPZZVUWQUQJXNK-YUMHPJSZSA-N 434.515 5.516 30 10 IKEE Cc1ccc(Nc2cc(C)nc(Nc3ccc(NC(=O)c4cccc(C#N)c4)cc3)n2)cc1 585421306 SBFJBYORPNIIRY-UHFFFAOYSA-N 434.503 5.705 30 10 IKEE C=CCN(CC=C)C(=O)Nc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1 586663599 KGFCYGFAOMNQBC-UHFFFAOYSA-N 427.504 5.937 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1cccc(Cl)c1F 698408491 SBFOYPVNYTVXMH-INIZCTEOSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@](C)(C#N)[C@H]1CC2CCC1CC2 698470640 QFRVMPBDGYKTHM-DUDHFMMFSA-N 433.390 6.299 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1cccc(OCc2ccccc2)c1 698490271 IAOTUYYWKXDYOB-DEOSSOPVSA-N 444.531 6.281 30 10 IKEE CSCC1CCC(C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Br)CC1 710818632 YAQRNAUEECYLHA-UHFFFAOYSA-N 439.419 6.006 30 10 IKEE Cc1nc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)sc1Br 719322128 NZKJPRMVOAFUTQ-CYBMUJFWSA-N 442.766 5.874 30 10 IKEE CC(=NN1C(=O)CN(Cc2ccccc2)[C@@H]1c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 1084148820 NWUZMMIKVPHCJT-DEOSSOPVSA-N 448.910 5.015 30 10 IKEE CCOc1c(C=Nc2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cccc1OC 1084298172 GQQXBENDBNGUNP-UHFFFAOYSA-N 440.609 5.847 30 10 IKEE C[C@@H]1CN(CN2C(=O)C(=Nc3ccc4c(c3)oc3ccccc34)c3ccccc32)C[C@@H](C)O1 1084566539 ASMAXZXPVOCRLW-QZTJIDSGSA-N 439.515 5.120 30 10 IKEE COc1ccc(Br)cc1[C@H](C#N)OC(=O)[C@@H]1[C@H](C=C(Cl)Cl)C1(C)C 1088723976 BZVTYPJSGVSKGQ-WHOFXGATSA-N 433.129 5.157 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)SC1=Nc1cccc(C)n1 1772731674 QADGDWNRVMNYNU-QUXILYDTSA-N 448.504 5.491 30 10 IKEE CCOc1ccc(/C=C2/SC(=Nc3cccnc3Cl)N(c3ccccc3)C2=O)cc1 1772733897 OJGLKMDOKKCEPO-SUYASHRRSA-N 435.936 5.942 30 10 IKEE COc1ccc(OC)c(/C=C2\SC(=Nc3nc(-c4ccccc4)cs3)N(C)C2=O)c1 1772740340 XJAWADTUPTXANT-PNVGRYOSSA-N 437.546 5.061 30 10 IKEE CCCCCCCCCCn1cc(O[C@H](C)C(=O)Nc2ccccc2)c(=O)cc1C(=O)O 1857890867 HFNZNNXQYAPUPN-LJQANCHMSA-N 442.556 5.093 30 10 IKEE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 1860118967 USSZZUYFXGEMOD-HNNXBMFYSA-N 441.314 5.850 30 10 IKEE CC(C)c1ccc(OCCSc2nc(O)c(C#N)c(-c3cccc(Cl)c3)n2)cc1 1860437412 YPFPJSLNOXTACG-UHFFFAOYSA-N 425.941 5.669 30 10 IKEE CC(C)Oc1ccc(C(=O)Nc2cc(NC(=O)c3cccc(C#N)c3)ccc2Cl)cc1 1860461502 DABMQUVZJXSQIG-UHFFFAOYSA-N 433.895 5.503 30 10 IKEE N#Cc1ccccc1NC(=O)c1cccc(NC(=O)/C=C/c2ccc(Br)cc2)c1 1860909693 DXMKMDPMGRHGPD-JLHYYAGUSA-N 446.304 5.225 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1ccccc1 1861389301 ZWOWIZZETHWMJG-HHHXNRCGSA-N 447.623 5.825 30 10 IKEE CCCCCCCCNC(=O)[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 1861474908 PGUVJISIRYBTGR-MHZLTWQESA-N 442.603 6.301 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)/C=C/c1ccc(C(C)C)cc1 1861550175 GFGWNWYIXZDCJW-BZCZDHRTSA-N 428.661 6.365 30 10 IKEE CCCCCCCCNC(=O)[C@H](NC(=O)c1ccc(OCC(C)C)cc1)c1ccccc1 1861771720 UPDFUUBMTTZYPH-RUZDIDTESA-N 438.612 5.669 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOCC)[C@@H]2c2ccc(CC)cc2)cc1 1862391318 XXUPTTKCORXSII-RUZDIDTESA-N 449.591 5.597 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCCC)cc1 1862421243 GAJXJBORVWQWDP-QFIPXVFZSA-N 443.490 5.522 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2cccc(Cl)c2)cc1 1862476893 QCCPLZADWHIBMI-HSZRJFAPSA-N 437.967 6.340 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@H](C)c2ccccc2)c1 1862489906 JZSXVCIQAXEKES-CJFMBICVSA-N 425.528 5.951 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCCCc2ccccc2)c1 1862554695 IPVIQAYMHYSACU-VWLOTQADSA-N 440.543 5.178 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2Cc2ccco2)cc1 1862580368 ICWYLNVRGFMAIR-FQEVSTJZSA-N 442.298 5.673 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1cccc2ccccc12)c1cccc(O)c1 1862592359 BGIYHJZOCNQQEX-QHCPKHFHSA-N 441.508 5.385 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)c1 1862598068 QXRRUCATQGNGAX-XDHUDOTRSA-N 443.499 5.130 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccc1C 1862648614 GPSAXDXTPBMAOE-DEOSSOPVSA-N 429.516 5.153 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2cccc(Cl)c2)cc1 1862659820 BITGMEKWDRJLEQ-JOCHJYFZSA-N 441.955 5.204 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CCCC2)cc1 1862668638 DHRHVTRTZSDQHP-RUZDIDTESA-N 447.575 6.120 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCCc2ccccc2)[C@H]1c1ccc(F)cc1)c1ccc(F)cc1 1862672334 AQRVAAYFHSUWAX-DEOSSOPVSA-N 447.481 5.566 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1c(Cl)cccc1Cl 1862682235 HGQGZWCXXRYNKF-IBGZPJMESA-N 436.310 5.901 30 10 IKEE CCCCCCCCNC1=C(c2ccc(OCC)cc2)C(=O)N(CCc2ccccc2)C1=O 1863561211 DGTVHWFWUFCKRU-UHFFFAOYSA-N 448.607 5.358 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H](C)c2ccc(OC)cc2)=C(c2ccc(C)cc2)C1=O 1863621714 SUAQQYGJGMSISR-NRFANRHFSA-N 448.607 5.795 30 10 IKEE Cc1ccccc1-c1ccc(-n2nnc(C#N)c2NC(=O)c2cccc3ccccc23)cc1 1870152724 HVIICHRLQUOWAD-UHFFFAOYSA-N 429.483 5.520 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCCc2ccccc2)cn1CCC1=CCCCC1 1870686231 JZTROECDHNANFJ-UHFFFAOYSA-N 446.635 5.924 30 10 IKEE CCCCCCCCn1cc(OCCCOc2ccc(Cl)cc2)c(=O)cc1CN(C)C 1870780262 MRTUJEDJZUBAMD-UHFFFAOYSA-N 449.035 5.772 30 10 IKEE C=CCOc1cn(Cc2cccc(C)c2)c(CNc2ccc(N(CC)CC)cc2C)cc1=O 1870809513 HLHMWQCKQNYVFW-UHFFFAOYSA-N 445.607 5.537 30 10 IKEE C=CCOc1cn(CCCCN(CC)CC)c(CNc2cc(Cl)ccc2C)cc1=O 1870812262 AGJPMUPTXDFWJU-UHFFFAOYSA-N 432.008 5.109 30 10 IKEE C=CCOc1cn(C[C@H](O)c2ccc(Cl)cc2)c(CNc2cc(C)ccc2C)cc1=O 1870812925 OUEHQTUHRTZPAP-DEOSSOPVSA-N 438.955 5.029 30 10 IKEE N#Cc1ccc(COc2cc(-c3ccc(Br)cc3)c3oc(=O)sc3c2)cc1 1871285718 UYPANUCWFRHFND-UHFFFAOYSA-N 438.302 5.735 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1COc2ccc3c(c2C1)O/C(=C\c1c(Cl)cccc1Cl)C3=O 1871350496 INXISPLBRNCVQG-HFIKXGLWSA-N 444.358 6.340 30 10 IKEE CCCCCCCCCCN1COc2c(cc3c(c2C)O/C(=C\c2ccccc2C)C3=O)C1 1871356092 VAORIFUMMBNCSV-ITYLOYPMSA-N 447.619 7.212 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871388858 FVSANAISAPNHED-XKZIYDEJSA-N 448.858 5.491 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3cc(-c4ccc(OC)cc4)c(=O)oc3c2)cc1 1871389639 HEVJJARBQDBVQP-UHFFFAOYSA-N 428.440 5.253 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(O[C@H](C)C(=O)Nc4ccc(C)cc4)c3C)C2=O)cc1 1871404991 AUVNNUYKTAMFTP-YPFLROGLSA-N 427.500 5.634 30 10 IKEE COc1cccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccc(C)cc4)ccc3C2=O)c1 1871406332 GPTZXNJVHXALBC-SNNLMFDCSA-N 429.472 5.026 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)cc1C)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872519085 AYUJJZPXSXTQHH-XMMPIXPASA-N 442.625 5.150 30 10 IKEE CCCCCCCCNC(=O)c1ccc2nc(-c3cccc(Oc4ccccc4)c3)[nH]c2c1 1872736994 YNARSKGJXNWAND-UHFFFAOYSA-N 441.575 7.113 30 10 IKEE N#C[C@@H](C(=O)Cc1ccccc1Cl)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872759521 RDWCNGSCIDMPSO-NRFANRHFSA-N 428.944 6.549 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4nc(C)c(C)nc4c3)n2)cc1 1872765604 SIEYRQWWRCJVFW-OAQYLSRUSA-N 440.572 6.203 30 10 IKEE Cc1cc(CC(=O)[C@H](C#N)c2nc(-c3ccc(Br)cc3)cs2)ccc1F 1872765856 YFWALBDCHBBFQK-INIZCTEOSA-N 429.314 5.439 30 10 IKEE N#C[C@@H](C(=O)Cc1cccc2ccccc12)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872768815 COAJXZWNPOAMGW-SFHVURJKSA-N 437.351 6.689 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)c2cc3ccccc3oc2=O)n1 1872785720 UPVQXPZMASJCOU-FQEVSTJZSA-N 442.540 6.013 30 10 IKEE C=CCc1ccccc1OCc1cccc(C(=O)Nc2cccc(OCc3ccccc3)c2)c1 1872833799 AXPGFJQJJOJOFY-UHFFFAOYSA-N 449.550 6.825 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccc(F)cc2)=C(c2cccnc2)C1=O 1873077720 NNDPIRJEGLKXPB-UHFFFAOYSA-N 437.559 5.231 30 10 IKEE C=CCN1C(=O)C(Nc2cccc(OC(F)(F)F)c2)=C(c2cccc3ccccc23)C1=O 1873183744 RHRKDXIMLRXVDE-UHFFFAOYSA-N 438.405 5.116 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2C(C)(C)C)=C(c2cccnc2)C1=O 1873268795 FSPZLCDLVBBKQQ-UHFFFAOYSA-N 433.596 5.932 30 10 IKEE C=CCn1c(C(=O)Nc2cc(C)ccc2C)cc2c(NCc3ccccc3F)ncnc21 1873638356 OMBGNDXFEKPSCC-UHFFFAOYSA-N 429.499 5.238 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccccc1C)n2Cc1ccccc1 1873656572 DTWOZRDAPGJTKJ-UHFFFAOYSA-N 437.547 5.219 30 10 IKEE Cc1cc(OCc2nnc(SCc3ccccc3)n2/N=C/c2cccnc2)ccc1Cl 1874230585 QXXXYVJXQNOFAI-VULFUBBASA-N 449.967 5.388 30 10 IKEE CCCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc(OC)cc1 1874232830 SQVLWQXFXNMHDV-NLRVBDNBSA-N 430.577 5.609 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(CCCOc3ccc(C)cc3)nnc2SC)cc1 1874250597 LSSVBWZYONFQON-XIEYBQDHSA-N 437.613 5.048 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccccc1OCCC 1874264585 GDTIIZGZFQZIHN-BUVRLJJBSA-N 442.972 5.460 30 10 IKEE C(=N/n1c(Cc2cccc3ccccc23)nnc1SCCc1ccccc1)\c1ccc[nH]1 1874270311 PNVGQSBFYMGRCU-TURZUDJPSA-N 437.572 5.567 30 10 IKEE Fc1ccc(CSc2nnc(CCc3ccccc3Cl)n2/N=C/c2ccco2)cc1 1874274954 PNYDSTRSLSYOQG-AFUMVMLFSA-N 440.931 5.623 30 10 IKEE Cc1ccc(CSc2nnc(CCCOc3ccccc3)n2/N=C/c2cccnc2)cc1 1874315259 KFNSICKEXRKHBM-OVVQPSECSA-N 443.576 5.168 30 10 IKEE Clc1ccccc1CSc1nnc(CCc2ccccc2)n1/N=C/c1ccccn1 1874403931 ZUEHODYMDCWLAF-WGOQTCKBSA-N 433.968 5.286 30 10 IKEE FC(F)(F)c1ccc(/C=N/n2c(SCc3ccccc3)nnc2[C@@H]2CCCO2)cc1 1874446711 JBHBVDFFNCCYEY-PYGAFPFSSA-N 432.471 5.323 30 10 IKEE Oc1ccc(Cl)cc1/C=N/n1c(SCCc2ccccc2)nnc1C1CCCC1 1874456072 ZHMPEXMGEDTVOL-BUVRLJJBSA-N 426.973 5.512 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2C(F)(F)F)cc1 1874461475 OYKIJABAGWGDAN-DHRITJCHSA-N 434.487 5.569 30 10 IKEE Fc1ccccc1CSc1nnc(-c2ccco2)n1/N=C/c1c(Cl)cccc1Cl 1874466959 LGHJUQOPGVJEGN-BHGWPJFGSA-N 447.322 6.159 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccco3)n2/N=C/c2ccccc2C(=O)O)c1 1874466975 MAUGJMGVPSMLAW-ZMOGYAJESA-N 432.505 5.028 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874475859 VYKXZCRUCAQZCV-ZMOGYAJESA-N 433.408 6.410 30 10 IKEE Sc1nnc([C@@H]2CCCO2)n1/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 1874559990 AWESOIJGUWGKIL-RIDKEVFESA-N 449.363 5.186 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2cc(C)ccc2C)cc1 1874576115 XJNGEEXRRVGIST-NTCAYCPXSA-N 445.515 5.234 30 10 IKEE O=C(/C=C/c1cc(Br)ccc1OCc1ccc(F)cc1)c1ccc(F)cc1F 1874577113 WWCVLYKSAXCDNI-YCRREMRBSA-N 447.250 6.342 30 10 IKEE O=C(/C=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1cccc2ccccc12 1874583483 PMCARXGEXIQVSV-ISLYRVAYSA-N 448.949 8.122 30 10 IKEE O=C(/C=C/c1cc(Br)ccc1OCCO)c1ccc(Oc2ccccc2)cc1 1874584996 HQZLYUZWBAPJIC-XYOKQWHBSA-N 439.305 5.509 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OCC(=O)Nc2ccccc2F)c1 1874599715 ADFKBTOEVWVCOU-FYWRMAATSA-N 445.534 6.345 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OCC(=O)OCC(C)C 1874603958 NQNCNHLJFDGIBR-UKTHLTGXSA-N 436.548 5.438 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2Cl)cc(OC)c1OCC(=O)OCC(C)C 1874608344 JIJJTXOMZYJXNA-VAWYXSNFSA-N 442.939 5.551 30 10 IKEE COc1cc(C(=O)/C=C/c2ccc(OCc3ccccc3Cl)cc2)c(OC)cc1Cl 1874630257 RUMBCWUHIGYUOA-FMIVXFBMSA-N 443.326 6.486 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 1874633095 LUJXAGKYQUPLJC-XYOKQWHBSA-N 443.543 5.842 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OCc2cccc(Cl)c2)c(Cl)c1 1874639372 XCDXXPAASHNYEP-VMPITWQZSA-N 447.745 7.131 30 10 IKEE COc1ccc(CCC(=O)Oc2cc(/C=C/C(=O)c3cccc(OC)c3)ccc2OC)cc1 1874694865 YLNQQKSEFQBNGH-NTEUORMPSA-N 446.499 5.147 30 10 IKEE CCCC(=O)Oc1cc(/C=C/C(=O)c2ccc(OC)cc2)c(Br)cc1OC 1874697647 IWILTXTWIDPODY-DHZHZOJOSA-N 433.298 5.068 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cccc(OC(=O)c2ccc3cc(Cl)ccc3n2)c1 1874698778 NQWPPVZXIGGBJA-NTEUORMPSA-N 443.886 6.012 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(C)cc3)c2)cc1 1874701647 CYQNDEVVAXLTJT-VIZOYTHASA-N 430.500 5.908 30 10 IKEE CCC(=O)Oc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c(Br)cc1OC 1874706053 NHCSTBPDBNIRMQ-FMIVXFBMSA-N 445.353 5.967 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OC(=O)c1ccc(Cl)cc1 1874708108 MSEYIYFEHPNGGS-LNKIKWGQSA-N 434.919 6.587 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2F)c(Cl)c1)c1cccc([N+](=O)[O-])c1 1875087636 DIZMANLAOMRBTR-CSKARUKUSA-N 425.799 5.503 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1Cl 1875094878 NAHDEGNYUZFWBR-PKNBQFBNSA-N 437.835 5.372 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)c(Cl)c2)cc1 1875114531 UGPLLQIQEXETCK-PJQLUOCWSA-N 448.946 6.761 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3F)cc2OC)c1 1875123895 JBZQBLMILPGHRN-YRNVUSSQSA-N 438.426 5.487 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)CCc1ccc(Cl)cc1 1875128321 CMBLYMZLAREYTB-XNTDXEJSSA-N 434.919 6.173 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)c(Cl)c1)c1ccccc1 1875128403 XKFUIUJCMVYKSM-UXBLZVDNSA-N 431.702 6.762 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2Cl)c1 1875133182 IQXHBWDEBPWYJU-UXBLZVDNSA-N 436.891 5.781 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 1875133879 KJZSMYVVRUGLFE-FMIVXFBMSA-N 445.471 5.726 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)C(C)C)c(OCC)c2)cc1 1875138791 XGHBWNAOWUPZPR-KPKJPENVSA-N 430.928 5.985 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2Br)cc1 1875139375 FVKDCSDQGSVSOU-XYOKQWHBSA-N 449.344 6.490 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OC(=O)c1cccnc1 1875148565 HSZOKWDNSRQXHO-KPKJPENVSA-N 449.934 6.156 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc([N+](=O)[O-])c1OC(C)=O 1875165242 SAXOAZKDOSTVPE-CMDGGOBGSA-N 441.480 5.255 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)c1cccnc1 1875171275 OMOJDFKAYFZEBD-CSKARUKUSA-N 431.488 5.221 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cc(Cl)c(OC(=O)C(C)C)c(OC)c2)c1 1875172028 ZVAFTMUGFFVHGM-CSKARUKUSA-N 446.927 5.604 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(Cl)cc3)cc2)c(OC)c1 1875178863 GHHCALRYEWISRP-VGOFMYFVSA-N 436.891 5.401 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)c(OC)c1 1875179032 POAQMQPRJURKKP-SFQUDFHCSA-N 438.479 5.972 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](O)c1cc(Cl)ccc1Br 1922053363 BJNOWRCTKXIORT-SFTDATJTSA-N 438.793 5.277 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C1(CC)CCN(C(=O)OC(C)(C)C)CC1 1922070470 ZHGXLGVHHFHLGI-QHCPKHFHSA-N 430.633 5.555 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1coc([C@H](C)NC(=O)OC(C)(C)C)n1 1922106264 BGSZRMCJBBFGHE-GHTZIAJQSA-N 429.561 5.074 30 10 IKEE C=C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)(c1ccccc1)[C@@H](F)C(=O)O 1927461566 GSABZIWZUIEFJU-OZXSUGGESA-N 431.463 5.029 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C#N)c1c(Br)cccc1Br 1938365206 NZEBVBBZKQFEMG-FZMZJTMJSA-N 446.183 5.812 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 1943894959 POXXKISBOGDKEE-WZONZLPQSA-N 433.524 5.297 30 10 IKEE C=C(COCc1ccccc1)[C@H](NC)[C@@]12CCCC[C@@H]1N(C(=O)OC(C)(C)C)CCC2 2000936361 DKKYSPXWLMHHNY-JCYRPKCISA-N 428.617 5.307 30 10 IKEE C=CC1(C[C@@H](NC)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)CCC1 2002639340 PAJATNBJSYFFAB-GJZUVCINSA-N 428.617 5.165 30 10 IKEE CC(C)(C)OC(=O)NC1CCC2(CC1)CC(C#N)(N(CC1CC1)C(=O)OC(C)(C)C)C2 2007725413 IFGXAKRKXHJBBD-UHFFFAOYSA-N 433.593 5.143 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C12CCC2 2008163658 OVTGCBXYSKYAOZ-HSZRJFAPSA-N 447.601 5.311 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C12CCCC2 2017316372 GOKVVICOZFOBNF-QHCPKHFHSA-N 447.601 5.311 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@H](C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2021497967 PDGITEZCJOEEAY-RBUKOAKNSA-N 429.561 5.356 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(CCF)CCCN1C(=O)OC(C)(C)C 2023629381 BHOCQSOZFPJZRW-WIOPSUGQSA-N 434.596 5.257 30 10 IKEE C=CCCCCCC[C@@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)NCC 2026011847 GZJKNPKWDMSIEG-DEOSSOPVSA-N 431.665 5.518 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Br)c(Cl)c1 2041574276 KJJRNBAWLNHWQB-IAGOWNOFSA-N 429.786 5.060 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@](C#N)(N(C(=O)OC(C)(C)C)C3CCCCC3)C[C@@]2(C)C1 2052771892 UDFVEWXHXRVOJM-WDNCENIBSA-N 447.620 5.486 30 10 IKEE Fc1cc(C(F)(F)F)ccc1Cn1nc(C2CCC2)c(Br)c1C(F)(F)F 2078994965 RMEODFCXEASRQI-UHFFFAOYSA-N 445.176 6.138 30 10 IKEE Cc1ccc([C@H](C2CCC2)n2nc(C(F)F)c(C#N)c2I)cc1F 2079013329 IRZKTUCDKCZNIO-HNNXBMFYSA-N 445.226 5.134 30 10 IKEE Cc1cc(O)c([C@@H](n2nc(C(F)F)c(C=NO)c2Br)C(C)(C)C)cc1C 2080053723 KUSXSYWOZPGCLP-OAHLLOKOSA-N 430.293 5.349 30 10 IKEE CC(=O)Oc1ccc([C@H](n2nc(C(C)(C)C)c(C#N)c2Br)C(C)(C)C)cc1 2080080235 RGXXMIWWGQUMOG-SFHVURJKSA-N 432.362 5.376 30 10 IKEE Fc1cc(-c2cc(Cl)n3nc(C(F)(F)F)c(C4CCC4)c3n2)ccc1C(F)(F)F 2081196056 PTIKIRCCYKJYKN-UHFFFAOYSA-N 437.746 6.494 30 10 IKEE N#Cc1cnc2c(-c3ccc(Br)cc3F)c(C3CCCCC3)nn2c1Cl 2081564689 VFFXNUIWWMIUBS-UHFFFAOYSA-N 433.712 5.871 30 10 IKEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(CN(Cc2ccccc2)[C@H](C)C(C)(C)C)c1 2095899055 YPVSBMVBATZWNY-HXUWFJFHSA-N 437.433 5.431 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](Cc2cc(Cl)cc(Br)c2)NC)C1 2126687077 MCRCEZWPISPKCE-QGZVFWFLSA-N 443.813 5.094 30 10 IKEE C=CCCCCCC[C@@H](NC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2141906851 YPDRNPPYWPJSJC-LJQANCHMSA-N 425.411 6.583 30 10 IKEE C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNc2ccc(C#N)c(Br)c2)cc1 2162316922 ULUWQXYFRCAZSI-AWEZNQCLSA-N 430.346 5.519 30 10 IKEE CC1(C)C[C@@H](Nc2cc(Br)cc(F)c2C#N)CCN(C(=O)OC(C)(C)C)C1 2163710473 GOYORSTZDFXZLF-AWEZNQCLSA-N 440.357 5.297 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(F)cc1C(=O)Nc1ccc(C#N)c(Br)c1 2181133310 QVLPGEMCAIUARB-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE C=CCCCCCCC[C@@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NC 2214613654 POMOPXQBLYQWBQ-ZEQRLZLVSA-N 432.649 5.991 30 10 IKEE C=CCN(CC[C@@H](NCC)c1c(F)cc(F)cc1Br)C(=O)OC(C)(C)C 2225601380 DMMVRFQLRMWSMU-MRXNPFEDSA-N 433.337 5.191 30 10 IKEE Cc1cc(C)c(Oc2ncccc2B2OC(C)(C)C(C)(C)O2)cc1NC(=O)OC(C)(C)C 2232306739 LLDJWJVEXBTLNV-UHFFFAOYSA-N 440.349 5.137 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCC2)C[C@@H]1C(F)(F)F 2252637455 FFDVQSVGCCCYIO-FOIQADDNSA-N 447.498 5.000 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1sc(Br)c(C)c1C 2254700436 ZHUQCFRVXOGRTC-CABCVRRESA-N 431.440 5.638 30 10 IKEE CC(C)(C)OC(=O)NC[C@]1(C)CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2258857843 SVXYIQRDALWQQH-BJKOFHAPSA-N 447.551 5.544 30 10 IKEE CCN[C@H](CC#CC1CCCC1)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2261106468 FUGIAPBNEJPISX-XMMPIXPASA-N 440.628 5.002 30 10 IKEE CCCCN1C(=O)C(=C2Sc3ccccc3N2C)SC1=Nc1ccc(C(C)=O)cc1 2295196025 LLRYHZAZHYKABI-UHFFFAOYSA-N 437.590 5.663 30 10 IKEE CCC[C@]1([C@H](O)C#Cc2ccc(Br)cc2)CCCCN1C(=O)OC(C)(C)C 2296292390 XXZOKIDQBJDCFL-DENIHFKCSA-N 436.390 5.121 30 10 IKEE C[C@@H](c1ccc(NC(=O)OC(C)(C)C)cc1)[C@@H](N)C#Cc1ccc(Br)cc1 2296311312 VSIWFAFCCKDIAH-YWZLYKJASA-N 429.358 5.279 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)C(=C(O)c4ccco4)[C@H]3c3ccc(F)cc3)sc2c1 2296776346 RBUCHGOSYOAKIV-HXUWFJFHSA-N 448.475 5.217 30 10 IKEE O=C(C=Cc1ccccc1OC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 2314430205 YVCWPMKKUKITDP-UHFFFAOYSA-N 449.462 6.377 30 10 IKEE COc1cccc(C=C2Oc3cc(OCc4c(Cl)cccc4Cl)ccc3C2=O)c1 2314438276 NIEIYSYYOMTZLO-UHFFFAOYSA-N 427.283 6.197 30 10 IKEE CC(=C1SC(=Nc2cccnc2Cl)N(C2CCCCC2)C1=O)c1ccc(F)cc1 2314540543 SJPRJEBNVQIGIH-UHFFFAOYSA-N 429.948 6.201 30 10 IKEE C=CCN1C(=O)C(=Cc2cccc(Br)c2)SC1=Nc1ccncc1Cl 2314541911 DQPZDDKIHHDHLM-UHFFFAOYSA-N 434.746 5.288 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(O)c(O)c2)SC1=Nc1nc(-c2ccccc2)cs1 2314543764 LXXBPNLEGDKFSP-UHFFFAOYSA-N 435.530 5.011 30 10 IKEE COc1ccc(C=NNc2oc(-c3ccccc3)nc2C#N)cc1OCc1ccc(C)cc1 2320833960 JRLQBXUONBIBFO-UHFFFAOYSA-N 438.487 5.555 30 10 IKEE C=C(C)CSc1nncn1N=Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 2321281176 CPJNXPRXJUNMFQ-UHFFFAOYSA-N 428.945 5.070 30 10 IKEE Cc1c(OCc2ccc(Cl)cc2Cl)ccc2c1OC(=Cc1ccc(F)cc1)C2=O 2321784398 GHLNGRXZXQAZBF-UHFFFAOYSA-N 429.274 6.636 30 10 IKEE CCCOc1c(OC)cc(C=NNc2nc(-c3ccc(Cl)cc3)cs2)cc1OC 2323865122 JPUJRQFSXRJNHJ-UHFFFAOYSA-N 431.945 5.716 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc(OC(=O)C(C)C)cc4)c3C)C2=O)o1 2323934227 ZVPJPWAAUAIWBC-UHFFFAOYSA-N 446.455 5.293 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2cccc3ccccc23)cc1Cl)Nc1ccccc1 2324129915 IYETVSWMHVYOEZ-UHFFFAOYSA-N 441.914 6.407 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2cc(OC)c(OCC)c(OC)c2)cc1 2324208742 FETXYIRNFGRFSL-UHFFFAOYSA-N 426.553 6.348 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OCC(=O)OCC(C)C 2324545688 QCBHZVUIHSHSDD-UHFFFAOYSA-N 440.536 5.103 30 10 IKEE Cc1cc(OCCOc2ccccc2F)cc2c1C(=O)C(=Cc1c(F)cccc1Cl)O2 2324857816 XCAVQEQAJPJSKD-UHFFFAOYSA-N 442.845 6.001 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)c(C)c1 2324882843 PGURJRIJSBTBPQ-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE Cc1cc(OCC(=O)N[C@@H](C)c2ccccc2)cc2c1C(=O)C(=Cc1ccccc1Cl)O2 2325019756 KYMQQTJSNIVSMC-KRWDZBQOSA-N 447.918 5.521 30 10 IKEE CC(C)OC(=O)c1ccc(COc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)o1 2325385141 DDOBZKYUNBAXNR-UHFFFAOYSA-N 438.863 5.693 30 10 IKEE COc1ccc(C)cc1NC(=O)CCOc1ccc2c(c1)OC(=Cc1sccc1C)C2=O 2325471092 HVNRRZSJRRHTGH-UHFFFAOYSA-N 449.528 5.397 30 10 IKEE O=C(C=Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1 2325489974 MNPMWUNODRCNSO-UHFFFAOYSA-N 436.851 5.048 30 10 IKEE Cc1c(OCC(=O)Nc2cccc(Cl)c2)ccc2c1OC(=Cc1cccs1)C2=O 2325717284 GCKGHQXBKBDGJU-UHFFFAOYSA-N 425.893 5.344 30 10 IKEE CCCOc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 2325722124 QASXGAJQYBDJAN-UHFFFAOYSA-N 445.471 5.428 30 10 IKEE CCc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2cccc(F)c2)C3=O)cc1 2325722711 KLQHOWDKITZITH-UHFFFAOYSA-N 431.463 5.330 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)c2)cc1 2325734972 AEMAZZDMPPGYOC-RPWUZVMVSA-N 446.930 6.344 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OC(=O)CCOc1ccccc1 2325740006 SYFGNNFTGYHUKF-UHFFFAOYSA-N 430.500 5.583 30 10 IKEE C=CCN(CC=C)C(=O)Nc1cccc(OC(=O)C=Cc2ccc(Cl)cc2Cl)c1 2325951615 QYKZQVMEQNGQAF-UHFFFAOYSA-N 431.319 5.818 30 10 IKEE Oc1ccc2cc(Br)ccc2c1C=Nn1cnnc1SCc1ccccc1 2326204464 YOYSDFUFOCTSPS-UHFFFAOYSA-N 439.338 5.074 30 10 IKEE Cc1cccc(CSc2nncn2N=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1 2326370240 HIGVKWFLYQTJNA-UHFFFAOYSA-N 436.625 6.062 30 10 IKEE Cc1ccc(COc2ccccc2C=Nn2cnnc2SCc2cc(C)cc(C)c2)cc1 2326393045 IRERAKSMZZZUHS-UHFFFAOYSA-N 442.588 5.957 30 10 IKEE C=CCSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1ccc(F)cc1F 2326399149 SAMVINAWWGWDKU-UHFFFAOYSA-N 442.535 5.345 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1cccc(Cl)c1Cl 2326603450 JGEBAWVFBLLEAM-UHFFFAOYSA-N 447.435 6.719 30 10 IKEE CCCCCOc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCC)cc1OC 2330259015 QOGXDLMOPOVZHD-UHFFFAOYSA-N 444.645 5.973 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccc(C)cc3C)cc2)cc1 2330824548 KMJQFBXQWOAYSE-UHFFFAOYSA-N 442.555 6.527 30 10 IKEE Fc1ccccc1CSc1nnc(C2CCCC2)n1N=Cc1ccc(Cl)cc1Cl 2331071848 PHBWRCUNVMKTER-UHFFFAOYSA-N 449.382 6.556 30 10 IKEE Cn1cc(C=Nn2c(SCCc3ccccc3)nnc2C2CCCC2)c2ccccc21 2331078013 LSFLYTWOOOQMDL-UHFFFAOYSA-N 429.593 5.644 30 10 IKEE FC(F)(F)c1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccccc1 2331156639 REMIHCGGAPVZDE-UHFFFAOYSA-N 431.270 5.778 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc2c(c1)OCCO2 2331339284 UXRGARZBGIXJRJ-UHFFFAOYSA-N 442.972 5.220 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)Cc1ccccc1 2331555733 PBQSHPPZCDSEMQ-UHFFFAOYSA-N 438.426 5.026 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3cccc(C)c3C)cc2)c(C)c1C 2331612183 NLKRBSXORZSWAT-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cc(Cl)c(OC(=O)C(C)C)c(OC)c1 2331741267 YYNJHMQQYGMRNY-UHFFFAOYSA-N 437.319 5.777 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1Cl 2331768511 MRNQQRGUNHWONG-UHFFFAOYSA-N 448.946 6.318 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1ccc(N(C)C)cc1 2331780301 ZBANNGHYJICJLQ-UHFFFAOYSA-N 443.543 5.802 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Cl)cc(Br)c1F 2337109631 RTTXASRDYADOOL-WBVHZDCISA-N 449.792 5.752 30 10 IKEE CC(C)[C@@H](Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)[C@@H](C)NC(=O)OC(C)(C)C 2339580914 HDJFFCJJVHBGAZ-BFMLKRJCSA-N 446.397 5.043 30 10 IKEE CCN[C@H](C#C[C@@H]1CC1(F)F)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2341007048 UFKDIFDJASTHDD-UKRRQHHQSA-N 429.305 5.105 30 10 IKEE C=CCCCC[C@H](NCCC)[C@H](O)c1sc(Cl)cc1I 2366659941 JZDGEJPUUXZIRQ-JSGCOSHPSA-N 427.779 5.154 30 10 IKEE C=C(C)COc1cccc(NC(=O)COc2ccc(Br)cc2C(C)(C)C)c1 9824391 GLHWJAGDLQSZAH-UHFFFAOYSA-N 432.358 5.719 30 10 IKEE Cc1cc(C)nc(N/C(=N\C(=O)Nc2ccc(Cl)c(Cl)c2)N2CCC[C@@H](C)C2)n1 14160321 RBHQSKBOOSSNDU-GFCCVEGCSA-N 435.359 5.132 30 10 IKEE O=C(Nc1ccc(Cl)c(Cl)c1)N1C(/N=C(\O)c2ccccc2)=N[C@@H]2CCCC[C@@H]21 17097385 RGKZSIHTECTEAU-MSOLQXFVSA-N 431.323 5.513 30 10 IKEE COc1ccc(-c2cccc(C(=O)O/C(=N/C3CCCCC3)NC3CCCCC3)c2)cc1 33761133 JPQQXUJVWQTSDY-UHFFFAOYSA-N 434.580 6.130 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)c(C)c2)[C@@H]1c1ccccc1OC 40091823 VJFKURBXYNPDJK-QHCPKHFHSA-N 437.536 5.171 30 10 IKEE COc1ccc(CC(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1 41358080 DKKXHOJJBOGPLW-MYYYXRDXSA-N 442.511 5.891 30 10 IKEE CCOc1cc(/C=C\C(=O)c2cc3ccccc3o2)ccc1OCCOc1ccc(F)cc1 97993111 LTYYKTPGFCIJRD-QPEQYQDCSA-N 446.474 6.325 30 10 IKEE Cc1ccc(/C=C\C(=O)C(C(=O)/C=C\c2ccc(C)cc2)=C2SCCCCS2)cc1 101659776 HBGLUKZHRMBMMF-VMNXYWKNSA-N 434.626 6.640 30 10 IKEE CCCCCCCCCCCCn1c(CNC(=O)c2cccc(OC)c2)nc2ccccc21 102218687 IYNQBZGWWQQKTR-UHFFFAOYSA-N 449.639 6.896 30 10 IKEE CCOc1ccc([C@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 102907574 XINCQOIJQABJQG-FEYWKWKCSA-N 447.918 5.673 30 10 IKEE CCCCCCOc1ccc(C(=O)Oc2ccc(CCCCC)cc2C#N)cc1Cl 148058809 YYXXYAKVYGYYDH-UHFFFAOYSA-N 427.972 7.123 30 10 IKEE CCCN1C(=S)N[C@@H](c2cccc(OC)c2OCc2cccc(C)c2)C(C(C)=O)=C1C 169930330 VPENTTNYKRAGGJ-QHCPKHFHSA-N 438.593 5.087 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\NC(=S)NCc2ccccc2)cc1Cl 169940446 JKXGBAOOUNPITD-DIBXZPPDSA-N 446.060 6.468 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1ccc(C#N)cc1 169945731 KQQNGBRXOPUBQX-JOCHJYFZSA-N 444.874 5.003 30 10 IKEE CN(C)c1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccccc2)cc1 169953326 ATHVOTIWXWUJOO-XMMPIXPASA-N 438.483 5.282 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2cccc(Cl)c2)c1 169970333 BOAVQPYGEXPNAE-IBGZPJMESA-N 438.936 5.505 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(OC(C)C)cc2)cc1C 169979427 BFWKYKKWJBHISZ-XMMPIXPASA-N 449.547 5.312 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccc(F)cc2)cc1 170062380 MECLHMSRPOGDDL-XMMPIXPASA-N 429.491 5.788 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccccc2F)cc1 170070072 WTAKILCTBRGSQJ-XMMPIXPASA-N 445.490 5.624 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccs2)cc1C 170156706 XVVGMAOJFOABNJ-QHCPKHFHSA-N 447.556 5.937 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccs2)cc1C 170163611 UECRQYOQHGPSSH-JOCHJYFZSA-N 448.544 5.019 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(OC)c3)[C@H]2c2cccnc2)cc1 170185814 IKMHFOOSARBIBJ-JOCHJYFZSA-N 448.906 5.089 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccccc1)c1ccc(Cl)c(Cl)c1 170222774 RUUQOUIPVRIGKC-HXUWFJFHSA-N 442.273 5.915 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(F)cc1)c1cc2ccccc2o1 170237340 DODLCIKTPUKJFW-NRFANRHFSA-N 433.460 5.412 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)c1 170238484 REVWVOMJMBMNFA-JOCHJYFZSA-N 435.426 5.146 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1c[nH]c2ccccc12)c1ccc2c(c1)CCCC2 170256402 HUOOMXVXJQYRIA-VWLOTQADSA-N 440.543 5.568 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2ccccc2C)o1 170305561 MLFYNRJGGPTDQJ-HSZRJFAPSA-N 431.488 5.467 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1sccc1C 170315132 KRKLLPDXCZDVGY-NRFANRHFSA-N 447.556 5.773 30 10 IKEE C=CCOc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCC)c1 170324448 TWJPPJFZUSYLTD-DEOSSOPVSA-N 427.500 5.393 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(Cl)c(Cl)c2)c1 170388327 VBSIYHAEHXIOTJ-FQEVSTJZSA-N 439.298 5.480 30 10 IKEE CCN(CC)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccccc2C)cc1 170396746 WODLNOZTZLJEAD-QHCPKHFHSA-N 430.504 5.217 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(N3CCCCC3)cc2)o1 170401686 SDVZFHIYSPMORO-DEOSSOPVSA-N 442.515 5.361 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1ccc(C(F)(F)F)cc1 170406228 DLGBUSVSOHBOLY-SFHVURJKSA-N 443.446 5.858 30 10 IKEE CCCCCCCc1ccc(-c2ccc(C(=O)Oc3ccc(CCCC)cc3)cc2)cc1 201432414 VDXGOTQXVMIXAR-UHFFFAOYSA-N 428.616 8.428 30 10 IKEE CCc1ccc(N=C2S/C(=C\c3ccccc3OCc3ccccc3)C(=O)N2C)cc1 252589311 AINQTJXLCMPTIW-SIFMURAYSA-N 428.557 6.062 30 10 IKEE N#Cc1c(N=Cc2cc(Br)cc(Br)c2O)sc2c1CCCC2 252626731 REOIEMWVTYTIGF-UHFFFAOYSA-N 440.160 5.480 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2O[C@H](C)CC)cc1 253565487 HUKXAHMBWTVVAI-ZWCUEREDSA-N 433.548 5.267 30 10 IKEE N#Cc1ccccc1COc1ccc2ccccc2c1C=Nc1ccc(N2CCOCC2)cc1 254340087 GVTDKINTTGOSHT-UHFFFAOYSA-N 447.538 5.878 30 10 IKEE CCCCCCCCC/C=C/COC(=O)/C=C\c1ccc(C=Nc2ccc(O)cc2)cc1 254870092 WPGZQBUUIIGDTG-MHKBYJAGSA-N 433.592 7.396 30 10 IKEE Cc1ccc(S(=O)(=O)O[C@H]2CC[C@@H]3[C@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4CC[C@@]23C)cc1 256762941 LQBTZXLGHXAZEI-GNPXQVHSSA-N 442.621 5.601 30 10 IKEE C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)OC)[C@@H]1CCc1ccoc1CNC1CCCCC1 504674332 UOIHMGVGVVIAEA-CJLVWDJLSA-N 441.656 6.586 30 10 IKEE biogenic CCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1cccc(OCC(C)C)c1 526807112 IESUTXWGTTWKRO-CFRMEGHHSA-N 428.989 5.703 30 10 IKEE Clc1cccc(CSc2nncn2/N=C\c2ccc(OCc3ccccc3)cc2)c1 526812335 OZSVRAWEOHWBKU-WGARJPEWSA-N 434.952 5.685 30 10 IKEE Cc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1c(Cl)cccc1Cl 526817502 OMDIMRXZRBBLQW-UYOCIXKTSA-N 429.735 5.860 30 10 IKEE Cc1ccc(Nc2cc(Nc3ccc(NC(=O)c4cccc(C#N)c4)cc3)nc(C)n2)cc1 585429665 CHHRQPULSSYGPY-UHFFFAOYSA-N 434.503 5.705 30 10 IKEE C=CCN(Cc1ccc(C(=O)OCC)cc1)S(=O)(=O)c1ccc(CCCCCC)cc1 586180878 WXYJGWJOUFSULR-UHFFFAOYSA-N 443.609 5.363 30 10 IKEE C#CCN(c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(CCCCCC)cc1 586237345 YGNLMECBSNXFKX-UHFFFAOYSA-N 439.499 5.537 30 10 IKEE Cc1ccc(C)c(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 586240642 HZWRUPZFYNTFFR-UHFFFAOYSA-N 445.371 5.877 30 10 IKEE Clc1ccc(Cl)c(C=NNc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)c1 606444911 ICZAQCVWJKWZSN-UHFFFAOYSA-N 427.722 6.703 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCc3ccc(Br)cc32)c1 698419974 RJXQTZDOVDXSDZ-QFIPXVFZSA-N 427.342 5.864 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H]3C[C@@H](CN3C(=O)OC(C)(C)C)C2)cc1 709364069 NVEFHWIECIGKPM-AOUJKTHWSA-N 441.572 5.418 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 724069021 HXNHZSLPIINBSC-HOYKHHGWSA-N 429.561 5.324 30 10 IKEE CC(=O)C(=NNc1ccccc1)Sc1nnc(Cc2ccccc2)n1Cc1ccccc1 1084044964 PBNCRXHUOKXONP-UHFFFAOYSA-N 441.560 5.024 30 10 IKEE O=C1NC(=Nc2ccc(F)cc2)S/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 1084150572 LWCDPVGSWHDCAM-ZDLGFXPLSA-N 443.843 5.539 30 10 IKEE C=CCN(CC=C)C(=O)Nc1ncccc1O[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl 1858817271 QCNQUAILFMGFFL-AWEZNQCLSA-N 449.338 5.000 30 10 IKEE CCOC(=O)c1sc(NC(=O)c2cccc(-c3nc4cc(C)ccc4o3)c2)c(C#N)c1C 1859482442 JIKMSCVWLZAZBY-UHFFFAOYSA-N 445.500 5.474 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1861028205 KQCOHQOMIWSKCE-LJQANCHMSA-N 437.968 5.110 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(CCCC)cc2)n(-c2ccc(Cl)cc2)n1 1862333896 BZWIHLCMEWEWLH-UHFFFAOYSA-N 433.983 6.350 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2cccc(OCC)c2)cc1 1862392781 GIUXFIALLJITSL-XMMPIXPASA-N 435.564 5.662 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2ccc(C(=O)OC)cc2)cc1 1862398905 YOFJKHKSNJKXJR-HXOBKFHXSA-N 449.547 5.193 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@@H]1c1ccccc1F)c1cccc(Cl)c1 1862443088 NBJRFFQVIZIICT-HSZRJFAPSA-N 449.909 5.690 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccccc1Cl)c1cccc(Cl)c1 1862446329 PSWLWQUITAUSQI-LJQANCHMSA-N 444.339 5.833 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccc(Cl)cc2Cl)cc1 1862481929 HWEJOUZDEPSGIH-HXUWFJFHSA-N 448.346 5.305 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cc(Br)ccc1F 1862484317 LXGPTWFXWWPASO-LJQANCHMSA-N 446.316 5.275 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccccc2Cl)c1 1862490136 OIYQNWZZFILZBE-DEOSSOPVSA-N 445.946 6.044 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCCc3ccccc3)[C@H]2c2ccccc2)ccc1F 1862507503 MVDJTGRYZUSWAX-VWLOTQADSA-N 443.518 5.735 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc2cc[nH]c2c1 1862545653 FTYZJIZPWZSUSJ-XMMPIXPASA-N 428.532 5.425 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccc(C)cc2)cc1F 1862636190 BBOYVPFSKFJCFT-HSZRJFAPSA-N 449.453 5.060 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2cccc(Cl)c2)cc1F 1862641620 XEJBUDLOGVEXSB-FQEVSTJZSA-N 431.891 5.112 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862659647 BYUODMDLMLVWKM-FQRUVTKNSA-N 439.555 6.458 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2cccc(F)c2)cc1 1862662573 IXBCGUCVHYLUNO-CUHUQNRHSA-N 435.539 6.106 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCCCCO)cc1 1862663281 QKGGCUVJDCXUFM-XMMPIXPASA-N 435.564 5.113 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCC(C)C)cc1 1862668888 JKTFIEFETLDLIR-RUZDIDTESA-N 449.591 6.223 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cc(Br)ccc1F 1862671447 PIDDAMKUEYDKNS-LJQANCHMSA-N 446.316 5.310 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@H]1c1ccc(F)cc1F)c1ccc(F)cc1 1862675217 FAOHGMJOEQMVRN-QFIPXVFZSA-N 443.465 5.795 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)c1 1862694320 GTHNPAWHPCBNMI-CUHUQNRHSA-N 449.547 5.251 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862703863 ZGRGBOXQYBQENT-DEOSSOPVSA-N 433.548 5.559 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc(Br)c1 1862718506 BQRLZKKLOVPEQE-FQEVSTJZSA-N 436.305 5.201 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)cc1 1862746879 KISWLWMFZOICDZ-XUEUYAKLSA-N 434.492 5.060 30 10 IKEE CC(C)c1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(F)cc3)C2=O)cc1 1862768497 QBMXGLAFUWGESU-UHFFFAOYSA-N 425.463 5.217 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2Cl)=C(c2ccc(Cl)cc2)C1=O 1863176823 DAQXXCZQWJIHNL-UHFFFAOYSA-N 445.390 6.546 30 10 IKEE C=CCN1C(=O)C(Nc2cc(C)c(Br)cc2C)=C(c2ccccc2Cl)C1=O 1863450630 IAIRRACVXWPFFG-UHFFFAOYSA-N 445.744 5.097 30 10 IKEE CCCCCCCCNC1=C(c2ccc(C)cc2)C(=O)N(CCCc2ccccc2)C1=O 1863623023 OIDYRJGJRKKBMH-UHFFFAOYSA-N 432.608 5.658 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCN(CC)CC)=C(c2cccs2)C1=O 1863808293 KVNUYQPJCCNNDA-UHFFFAOYSA-N 447.689 5.290 30 10 IKEE CCc1nc(Nc2ccc(C#N)cc2)cc(N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)n1 1868291886 YDVRFOJNTASWKU-QHCPKHFHSA-N 425.580 6.293 30 10 IKEE Cc1nc(Nc2ccccc2C#N)cc(N2CCc3ccccc3[C@@H]2c2cccc(F)c2)n1 1868490461 JIKNVINAONZNGH-MHZLTWQESA-N 435.506 5.692 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](NC(=O)/C=C(/c1ccc(C)c(C)c1)C1CC1)c1ccccc1 1868672238 YDTUBLQVEXBYBE-BSGTYYGESA-N 428.576 5.155 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](CCCC)NC(=O)c1ccc2oc(-c3ccc(C)cc3)nc2c1 1868788772 PHWJRIRAJQZMSO-QFIPXVFZSA-N 445.563 5.292 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](CC)NC(=O)COc1ccc(-c2ccc(C(C)(C)C)cc2)cc1 1868896471 GZQDSKRKQSNDAE-RUZDIDTESA-N 448.607 5.125 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2)c(=O)cc1CN1C[C@@H](C)C[C@H](C)C1 1870468669 OAYQRKLLWTXNOU-ZEQRLZLVSA-N 438.656 6.266 30 10 IKEE CCCCCCCCCCn1cc(OCCc2ccc(OC)cc2)c(=O)cc1CN(C)C 1870605368 ASNVJSBWELMKNQ-UHFFFAOYSA-N 442.644 5.681 30 10 IKEE CCCCCCCOc1cn(Cc2ccncc2)c(CNc2ccc3nc[nH]c3c2)cc1=O 1870835619 ACWFZZMXTSOHHI-UHFFFAOYSA-N 445.567 5.129 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)NCC)c(=O)cc1CNc1ccccc1 1870973603 HVMFEIBVOIFXOF-UHFFFAOYSA-N 441.616 5.116 30 10 IKEE CCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(OCC)cc1 1871253636 FLGROYRNIBMSEF-UHFFFAOYSA-N 445.563 5.500 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc4c(c1)OCO4)O3)CN(CCC1=CCCCC1)CO2 1871348859 BAFHTGJIKSZOPI-CFRMEGHHSA-N 445.515 5.382 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1cccc([N+](=O)[O-])c1)C3=O)CN([C@H]1CCCC[C@H]1C)CO2 1871356193 YUZOMVBSYNKBGC-YSJGDPSDSA-N 434.492 5.250 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OC(=O)Cc3ccc(F)cc3)cc(C)c2C1=O 1871371977 SLMONOGXIWYFKU-UCQKPKSFSA-N 432.447 5.297 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)Cc4ccc(OCC)cc4)ccc3C2=O)cc1 1871375263 BWBTUPCAYXQWSY-MYYYXRDXSA-N 444.483 5.248 30 10 IKEE O=C(COc1ccc(Cl)cc1)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O 1871381100 OCKUUAATWZZYQF-NHDPSOOVSA-N 441.266 5.594 30 10 IKEE CCCCN(CCCC)Cc1c(O)cc(C)c2c1O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871393504 QPHIVVJYYSXAPO-UQQQWYQISA-N 435.608 6.842 30 10 IKEE Cc1cccc(OCCCOc2cc(C)c3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)c1 1871407198 ZCUJGBLTSYYBRD-IWIPYMOSSA-N 434.919 6.421 30 10 IKEE Cc1cc(C)c(COc2cc(C)c3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)cc1C 1871423635 VUSMOQTZCNPHLW-WGARJPEWSA-N 427.544 6.181 30 10 IKEE Cc1c(OCc2ccc(C(=O)OC(C)C)o2)ccc2c1O/C(=C\c1ccccc1F)C2=O 1871439403 XOEHDXDTTMXCEQ-UUYOSTAYSA-N 436.435 5.488 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(CCCC)cc1)[C@H](C)CC)S(=O)(=O)CCCC 1871831378 HVQICVXVKSIKCV-OFNKIYASSA-N 436.662 5.390 30 10 IKEE COc1ccc(OC)c(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccc(Cl)cc3)n2)c1 1872771096 MFRMKLMAMQQDDY-FZKQIMNGSA-N 442.924 5.124 30 10 IKEE COc1ccc(C)cc1-c1csc([C@@H](C#N)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 1872771517 WLGUKICGBDHEJN-HNNXBMFYSA-N 427.869 5.179 30 10 IKEE COc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3cc(C)ccc3OC)cs2)cc1OC 1872771613 XSNRTXNAIPKGQT-IWHGQQBYSA-N 434.517 5.034 30 10 IKEE Cc1sc([C@@H](C#N)C(=O)CN2CCC(Cc3ccccc3)CC2)nc1-c1ccc(F)cc1 1872799252 FTVKFHBYRBIRAI-QHCPKHFHSA-N 447.579 5.389 30 10 IKEE C=CCN1C(=O)C(NC2CCCCCCCCCCC2)=C(c2ccccc2[N+](=O)[O-])C1=O 1873140064 PJLRYEIUXIJVJK-UHFFFAOYSA-N 439.556 5.124 30 10 IKEE Sc1nnc([C@H]2CCCO2)n1/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 1873504640 FHCJCZITCJATRF-TYLRVVQJSA-N 449.363 5.186 30 10 IKEE COc1ccc2nc(/C=N/n3c(SCc4ccccc4C)nnc3C(C)C)ccc2c1 1873505151 CIMLMLIUZHFIFE-AFUMVMLFSA-N 431.565 5.441 30 10 IKEE C=CCn1c(-c2cc(Br)c(OCCCCC)c(OC)c2)nc2ccccc21 1873519963 PWIWDAGALCIGPN-UHFFFAOYSA-N 429.358 6.229 30 10 IKEE CCCCOc1ccc(/C=N/Nc2cnn(-c3cccc(Cl)c3)c(=O)c2Cl)cc1 1873526760 VCOKVQQAGMOBND-ZMOGYAJESA-N 431.323 5.164 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1cccc(Cl)c1C)n2CC(C)C 1873656834 OEZFUPSJXSRLTF-UHFFFAOYSA-N 437.975 5.480 30 10 IKEE CCCCCCCCCCNC(=O)CCC(=O)N1CCN(c2cccc(Cl)c2)CC1 1873934859 BAATUYFNEWKBQW-UHFFFAOYSA-N 436.040 5.026 30 10 IKEE CCSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1ccc(CC)cc1 1874196951 KQDKFSFYOXPUDT-ZXVVBBHZSA-N 444.604 6.000 30 10 IKEE CCCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccc(F)cc1 1874213757 DRSQBGOUSWQVNF-BUVRLJJBSA-N 432.952 5.467 30 10 IKEE CCCc1ccc(OCc2nnc(SC)n2/N=C/c2ccc(C(F)(F)F)cc2)cc1 1874256734 PTLAXIODCMQYDY-DHRITJCHSA-N 434.487 5.433 30 10 IKEE COc1ccc(CCc2nnc(SCc3ccccc3)n2/N=C/c2cccs2)cc1 1874305711 LEEXTDKLGIEWJI-LFVJCYFKSA-N 434.590 5.308 30 10 IKEE C=C(C)CSc1nnc(COc2cccc(C)c2C)n1/N=C/c1ccc(N(C)C)cc1 1874323629 ZMODCAQZPOIGGV-AFUMVMLFSA-N 435.597 5.090 30 10 IKEE Cc1ccc(CSc2nnc(CC(C)(C)C)n2/N=C/c2c(Cl)cccc2Cl)cc1 1874436521 FQNREMZUKUOAIR-DHRITJCHSA-N 447.435 6.656 30 10 IKEE CCCSc1nnc([C@@H]2CCCO2)n1/N=C/c1ccc(N(CC)Cc2ccccc2)cc1 1874448671 JCCWFMFFXZBZQS-HXTHCWADSA-N 449.624 5.540 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2ccc(F)cc2)nnc1C1CCCC1 1874452973 XQFYUEZSCHZOKC-WGOQTCKBSA-N 436.556 5.814 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc(OCCC)cc1 1874478799 SHPJWRHOLUCGKU-PCLIKHOPSA-N 443.016 6.237 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(Cl)cc1 1874481230 VHQASDQJZCNJDQ-WYMPLXKRSA-N 437.371 6.241 30 10 IKEE Cc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(C(F)(F)F)cc1 1874533035 OSANDGWPAXKUDR-LGJNPRDNSA-N 426.467 5.933 30 10 IKEE CCCCCCOc1c(Br)cc(/C=N/n2cnnc2SCC)cc1OC 1874537406 BQKPNIMMEJJLHA-CIAFOILYSA-N 441.395 5.003 30 10 IKEE COc1cccc(/C=N/n2c(S)nnc2C2CCCC2)c1OCc1cccc(Cl)c1 1874559735 LAEMKNGLDYMASB-ZMOGYAJESA-N 442.972 5.348 30 10 IKEE CCCCCOc1ccccc1/C=N/n1c(S)nnc1CCc1ccccc1Cl 1874565884 AMGPOZZRBMCNOK-LFVJCYFKSA-N 428.989 5.457 30 10 IKEE Cc1cc(OCc2nnc(S)n2/N=C/c2ccc(Cl)c(Cl)c2)cc(C)c1Cl 1874568762 PAPFFPANMHLFCW-GZIVZEMBSA-N 441.771 5.605 30 10 IKEE Cc1ccc(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc3ccccc3c2)cc1C 1874571564 URJPZVGRHAULCG-JQIJEIRASA-N 435.523 6.370 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)cc2)cc1 1874576057 VBBOPKQEWBQMCW-NTUHNPAUSA-N 435.907 5.571 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OCc1ccc(Cl)cc1Cl 1874597755 CPLLIMLBYJIYEH-WTDSWWLTSA-N 431.290 6.616 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1 1874601574 RNRZBJILFXSNLQ-XDHOZWIPSA-N 441.571 6.277 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Cl)c1OCc1ccccc1F 1874612191 HJPXQFRWBMEGCQ-ZHACJKMWSA-N 445.317 7.006 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OCc1ccccc1F 1874626271 VBSHPQPTOFMVRL-JLHYYAGUSA-N 448.534 6.616 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OCc2ccccc2Cl)cc1 1874633806 VJBWCTXLBXMOEZ-FMIVXFBMSA-N 427.327 6.786 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OCc1cccc(C)c1 1874633900 ADPGMLYMUPLCAY-MDZDMXLPSA-N 434.963 7.057 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)c2)cc1 1874694393 APNQPMWBFUQKEB-DGKKPVBHSA-N 442.555 6.641 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1OC(=O)c1ccccc1F 1874706143 RFNVRSZSKXURSP-OQLLNIDSSA-N 432.491 6.247 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1OC(=O)[C@@H](C)c1ccccc1 1874707592 MFSVJEMJAVNKOF-YRYLYKBFSA-N 430.456 5.029 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC(=O)CCc2ccccc2)c1 1874715519 FCAWLKAPSJQXCU-SAPNQHFASA-N 426.556 6.727 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc2c(c1)CCCC2 1875096896 KGWXXDHIWYTQPI-FRKPEAEDSA-N 427.456 5.589 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc4c(c3)OCO4)c([N+](=O)[O-])c2)cc1 1875101617 XMIZPLKEKAOEHG-BJMVGYQFSA-N 445.427 5.001 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(CCCC)cc2)cc1OCC 1875107715 FZZGAROAXAVRCD-XDJHFCHBSA-N 436.592 7.200 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 1875117650 GEZMEJHDBXDCJW-DHZHZOJOSA-N 430.544 6.103 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)c1cccc(C)c1 1875131302 QCTOXYRQJWSRGR-PKNBQFBNSA-N 434.919 6.389 30 10 IKEE COCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1Br 1875148725 TWHAMGOWLQUCHJ-VZUCSPMQSA-N 445.353 5.585 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2Cl)cc1C 1875150006 SRAHUEMTYYJBPC-VMPITWQZSA-N 448.902 5.730 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)cc3)c(OC)c2)cc1F 1875153351 CEMXECITLIAZLT-BJMVGYQFSA-N 438.426 5.026 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)c1cccc(F)c1 1875157914 VAVJOPJUDBXZKR-BJMVGYQFSA-N 428.818 5.742 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccccc2)c(Cl)c1 1875161124 ZZAPJTGYVICUPK-JLHYYAGUSA-N 448.946 6.761 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1OCC 1875171142 IRXWCPLWQCSTGZ-MDZDMXLPSA-N 430.928 5.966 30 10 IKEE C=CCC[C@@H](NCCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875664057 ZZUIYOPGSXNDHT-GGXMVOPNSA-N 445.603 6.212 30 10 IKEE Cc1ccc(Nc2cc(Nc3ccc(NC(=O)c4ccc(C)c(C#N)c4)cc3)nc(C)n2)cc1 1891866271 CDDKYSXYJLIQKE-UHFFFAOYSA-N 448.530 6.013 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CCC1(NC(=O)OC(C)(C)C)CCCCC1)NCC 1922053729 FBXUMBUANYSFDC-HSZRJFAPSA-N 430.633 5.745 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1cc(Cl)cc(NC(=O)OC(C)(C)C)c1 1922125663 OWKZSHRJUUOHHZ-JOCHJYFZSA-N 430.976 6.111 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](CC1CCCCC1)NC(=O)OC(C)(C)C 1926639278 QFMCLVXKZGGDPX-RPBOFIJWSA-N 444.660 5.991 30 10 IKEE CCCC[C@H](CC)Cn1c(O)c(N=Nc2ccc(Cl)cc2[N+](=O)[O-])c(C)c(C#N)c1=O 1933225814 VKDCANFUZVSDJA-AWEZNQCLSA-N 445.907 5.927 30 10 IKEE CC[C@](C#N)(CCNC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)c1ccc(OC)cc1 1942389065 UKVJIPXNQRAQMD-HSZRJFAPSA-N 433.549 5.024 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@]1(C#N)CN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 1949561551 QXVOHSBOZOOJFX-XMMPIXPASA-N 435.609 5.486 30 10 IKEE Cc1sc(C)c([C@@H](C#N)N(C[C@H]2CCCO2)C(=O)OC(C)(C)C)c1Br 2032033466 XCYMXSZZBYGVAE-ZIAGYGMSSA-N 429.380 5.108 30 10 IKEE Cc1cccn2c(=O)c(C=NCc3ccco3)c(Nc3ccc(SC(F)F)cc3)nc12 2040464854 ILKSRLCCUVCXOX-UHFFFAOYSA-N 440.475 5.273 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]12C[C@@H]1[C@@H]1CC[C@H](C2)N1C(=O)OC(C)(C)C 2043139672 CJGIVMSVXPHLJG-TXDQRGGKSA-N 440.628 5.306 30 10 IKEE O=C(C=Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc(OC(F)F)cc1 2053511163 HNMSPUKYADLJPH-UHFFFAOYSA-N 429.350 6.024 30 10 IKEE Cc1ccc([C@@H](C2CCC2)n2nc(C(F)F)c(C#N)c2I)cc1C 2079015044 NACWNLDXGWSNCB-MRXNPFEDSA-N 441.263 5.303 30 10 IKEE Cc1nn([C@@H](c2cc(F)ccc2C(F)(F)F)C(C)(C)C)c(Br)c1C=NO 2080106205 VINUZIDSWAPWBA-AWEZNQCLSA-N 436.247 5.556 30 10 IKEE N#Cc1cnc2c(-c3cc(F)c(F)cc3Br)c(C3CCCCC3)nn2c1O 2081427496 SFCCJIHJEFHVJJ-UHFFFAOYSA-N 433.256 5.062 30 10 IKEE C=CCCCCCCCCC[C@@H](O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2086263880 MLZBZGOHFBGXTA-ICDZXHCJSA-N 447.660 6.543 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]1C(C)(C)Nc1cc(Br)c(C#N)cc1F 2106001418 RQRVQLAVDRUPIM-INIZCTEOSA-N 426.330 5.050 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(Cl)ccc(Br)c1F 2122147938 LFTJWRWHEDYLAZ-YOEHRIQHSA-N 447.776 5.199 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)c(F)c1F 2145544022 MCHQSMBYBBRAKK-QAPCUYQASA-N 445.348 5.075 30 10 IKEE Cc1cnc(Oc2ccc(NC(=O)OC(C)(C)C)c(C)c2)c(B2OC(C)(C)C(C)(C)O2)c1 2232307755 RJOWGDYLHYYEDO-UHFFFAOYSA-N 440.349 5.137 30 10 IKEE C#CC[C@H](OCCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2262048074 DBIQKKCDSREDKG-DEOSSOPVSA-N 430.500 5.400 30 10 IKEE C[C@H](C1CC1)N(Cc1ccccc1)c1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2s1 2264352001 UOYNZGBSICLXRB-QGZVFWFLSA-N 434.414 5.401 30 10 IKEE N#C[C@@H](C(=O)c1cscc1OCc1ccccc1)c1ccc(Br)c(F)c1 2271567957 OKKGJHIKSHEJAX-OAHLLOKOSA-N 430.298 5.719 30 10 IKEE CCCCCCCCCCN[C@@H](C)c1cc(Br)c(Br)s1 2281269559 ARNNUWJFOLTOIT-ZDUSSCGKSA-N 425.274 7.064 30 10 IKEE CN(c1c(Br)cccc1C#N)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1 2285227377 IZOWUNDULITXAU-SFHVURJKSA-N 430.346 5.023 30 10 IKEE CCOCCN1C(=O)C(=Cc2ccc(OC)c3ccccc23)SC1=Nc1ccccc1 2294002007 AIQYXDWFYMPQRS-UHFFFAOYSA-N 432.545 5.489 30 10 IKEE CC(C)c1ccc([C@@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2c2cccc(Cl)c2)cc1 2296208134 BIGUSMGZIZKJAE-HSZRJFAPSA-N 431.919 6.090 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)CC 2296298149 HIPOVXGZYULYQA-PWIZWCRZSA-N 437.422 5.108 30 10 IKEE COc1ccccc1C=C1SC(=Nc2ccc(C)c(C)c2)N(c2ccc(C)c(C)c2)C1=O 2296826676 BHJMIYJHPKGHJO-UHFFFAOYSA-N 442.584 6.737 30 10 IKEE COc1ccc(N=C2SC(=Cc3c(C)[nH]c4ccccc34)C(=O)N2C2CCCCC2)cc1 2297462888 YBGYWIGKLVPOKY-UHFFFAOYSA-N 445.588 6.422 30 10 IKEE Cc1cc2cc3c(nc2cc1C)SC(=NC1CCCC1)N(Cc1ccc2c(c1)OCO2)C3 2297506818 PPKKKIHENCJCAG-UHFFFAOYSA-N 445.588 5.987 30 10 IKEE ClC(=CC=NN=CC=C(Cl)c1ccc2ccccc2c1)c1ccc2ccccc2c1 2297535445 ZNROLMNGIYQMRQ-UHFFFAOYSA-N 429.350 7.909 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 2302571518 LHRCMIJOCUWRHV-SZVBFZGTSA-N 449.979 5.667 30 10 IKEE COc1ccc(C(=O)Oc2ccccc2C=CC(=O)c2ccc(Br)cc2)cc1 2314429265 CGTWTFKJHRXQBY-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE CCc1ccc(C=C2SC(=Nc3cccnc3Cl)N(C3CCCCC3)C2=O)cc1 2314540314 NTRILSIVRPKZFO-UHFFFAOYSA-N 425.985 6.234 30 10 IKEE CCCOc1ccc(C=CC(=O)C(=O)Nc2ccc(C)cc2Br)cc1OCC 2318788856 SZJNKGUTBAFXMK-UHFFFAOYSA-N 446.341 5.166 30 10 IKEE COc1cccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C2CC2)c1O 2320867857 TUHDXMCPTGACEV-UHFFFAOYSA-N 449.363 5.351 30 10 IKEE CCN(CC)CCN1COc2c(cc3c(c2C)OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)C1 2322408309 MXLWDTHWQJXZDY-UHFFFAOYSA-N 448.607 5.402 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1ccc2c(c1C)OC(=CC=Cc1ccccc1)C2=O 2322760109 XMAAFFOSYFRNHX-UHFFFAOYSA-N 442.467 5.404 30 10 IKEE C=CCOc1ccc(Br)cc1C=CC(=O)c1cc(Cl)c(OC)cc1OC 2322884141 JKEXVJBHUQTXOL-UHFFFAOYSA-N 437.717 5.581 30 10 IKEE COc1ccc(OC)c(C=C2Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc3C2=O)c1 2323057400 IAJSYYQGWHVXKH-UHFFFAOYSA-N 442.467 5.247 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OC(=O)CCc3ccc(Cl)cc3)c2C)C1=O 2323114501 QBALMBOAVIROBS-UHFFFAOYSA-N 432.903 6.111 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O)c1ccc(C(F)(F)F)cc1 2323351718 DCRILMZFQAVEIK-UHFFFAOYSA-N 436.385 6.097 30 10 IKEE CCCNC(=O)COc1c(Cl)cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1OC 2323419410 AMUZGFLCZSDLQM-UHFFFAOYSA-N 441.955 5.029 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccccc3)cc2[N+](=O)[O-])cc1 2323812501 VDQJRIXFVZMCBC-UHFFFAOYSA-N 430.460 5.071 30 10 IKEE Cc1cc(O)c(CN2C[C@H](C)O[C@@H](C)C2)c2c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O2 2324018038 WNARYTFGPLYYBP-KBPBESRZSA-N 448.346 5.233 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OCCCc4ccccc4)cc(C)c3C2=O)cc1 2324280951 BVRPSDILBGIPML-UHFFFAOYSA-N 441.571 6.469 30 10 IKEE CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O 2324324999 MPCZOBKNMBXKMM-INIZCTEOSA-N 447.462 5.247 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1 2324545675 OEAWCDDHCZPIJG-UHFFFAOYSA-N 427.544 6.088 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)ccc1OCc1ccccc1F 2324672593 BRAMBLZWYTVMCM-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE O=C(Cc1cc(Cl)ccc1Cl)Oc1cccc(C=CC(=O)c2ccccc2Cl)c1 2325717543 IFIDZXILVKOJDO-UHFFFAOYSA-N 445.729 6.691 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(Cl)cc1 2325730733 LDSQQSPNBWDTSI-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OC(=O)CCCOc1ccccc1 2325741303 WRYNIDYUYTWDIW-UHFFFAOYSA-N 448.490 5.803 30 10 IKEE Cc1ccc2oc(=O)cc(COc3ccc4c(c3C)OC(=Cc3ccccc3C)C4=O)c2c1 2325741752 XVOZDWKSIYSVFD-UHFFFAOYSA-N 438.479 5.913 30 10 IKEE C=CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1cccc(C)c1 2325905582 YZUYXFQUMSUSJK-UHFFFAOYSA-N 434.609 5.932 30 10 IKEE CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccc(Cl)cc1 2326127360 QKYDAJSSADELGI-UHFFFAOYSA-N 435.380 5.775 30 10 IKEE CCOc1cc(C=Nn2c(C)nnc2SCc2ccccc2F)ccc1OC(C)C 2326263352 XEHREFCRTFALAV-UHFFFAOYSA-N 428.533 5.086 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc(OC(C)=O)cc1 2326705701 QICDXHODYPARDV-UHFFFAOYSA-N 449.363 5.247 30 10 IKEE C=CCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2329112685 BGQPDJXAIYGZOL-UHFFFAOYSA-N 448.335 5.244 30 10 IKEE COc1ccccc1C=Nn1c(CCOc2ccccc2)nnc1SCc1ccccc1 2329189960 DYJPKLCWGNMKIN-UHFFFAOYSA-N 444.560 5.083 30 10 IKEE CSc1nnc(Cc2ccc(F)cc2)n1N=Cc1ccc(OCc2ccccc2)cc1 2329793715 STWJASYZAYRHLE-UHFFFAOYSA-N 432.524 5.191 30 10 IKEE Fc1ccccc1C=Nn1c(Cc2cccs2)nnc1SCc1ccc(Cl)cc1 2330423232 YJFDNPIBRVJHDM-UHFFFAOYSA-N 442.972 5.897 30 10 IKEE Cc1ccc(CSc2nnc(-c3cccs3)n2N=Cc2cn(C)c3ccccc23)cc1 2330530385 MWAXIURCDPNWLY-UHFFFAOYSA-N 443.601 5.981 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)cc3)c(OC)c2)cc1OC 2330734503 CEWJQNGOZXDOQR-UHFFFAOYSA-N 446.499 5.065 30 10 IKEE CCCOc1ccccc1C=Nn1c(CC(C)(C)C)nnc1SCc1ccc(F)cc1 2330814528 GKJLIHXFXJNFMX-UHFFFAOYSA-N 440.588 5.969 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)(C)C)n2N=Cc2cn(C)c3ccccc23)c1 2330849480 UYIDLRIFZSWMJI-UHFFFAOYSA-N 445.636 6.150 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(C)c2)cc(OC)c1OC(=O)c1ccccn1 2330879314 UVJIITSWMHQUEL-UHFFFAOYSA-N 443.499 5.251 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2ccccc2C)nnc1[C@H]1CCCO1 2330896245 RDDDLXJWNSQHQF-JOCHJYFZSA-N 436.581 5.401 30 10 IKEE CN(C)c1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2[C@@H]2CCCO2)cc1 2330990074 FBIBMFVDTQOZKJ-FQEVSTJZSA-N 441.988 5.024 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)c2cc(C)cc(C)c2)c([N+](=O)[O-])c1 2331069291 WQZJIMLAQBNRPV-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCCc3ccccc3)nnc2C2CCCC2)cc1 2331077904 MZGMEEYAEDCUTQ-UHFFFAOYSA-N 448.636 6.332 30 10 IKEE CSc1nnc(C(F)(F)F)n1N=Cc1c(OCc2ccccc2)ccc2ccccc12 2331104167 DNYULRCUEIOKJB-UHFFFAOYSA-N 442.466 5.633 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccc(Cl)cc3)c(Cl)c2)cc1 2331265966 JONCGBAGNWWHPK-UHFFFAOYSA-N 441.310 6.182 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)c(C)c3)c(Br)c2)cc1 2331271474 PBHWLJCNTWGYOT-UHFFFAOYSA-N 449.344 6.490 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2[N+](=O)[O-])c1 2331498334 HDISTXNNXDUDHU-UHFFFAOYSA-N 443.499 6.450 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)CCc1ccccc1 2331519483 FPEQQNIRSKBRPO-UHFFFAOYSA-N 434.463 5.277 30 10 IKEE CCCOc1ccc(C=Nn2c(COC)nnc2SCc2ccccc2Cl)cc1 2331577925 MTBZLGLEBWTVHJ-UHFFFAOYSA-N 430.961 5.041 30 10 IKEE COc1cc(C=Nn2c(SCc3cccc(F)c3)nnc2C(C)C)cc(Cl)c1O 2331687472 OOCMEVCZZXNTLA-UHFFFAOYSA-N 434.924 5.083 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1ccc(C)c(C)c1 2331779692 FIVJSWJWBRNVQW-UHFFFAOYSA-N 442.555 6.743 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)cc3)c(OC)c2)cc1Cl 2331835083 GRXXCKYTQYLBSB-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE N#Cc1ccc(Br)cc1OCc1ccc(Cl)c(I)c1 2337276798 LKWIFAHZQZIRHU-UHFFFAOYSA-N 448.485 5.158 30 10 IKEE CCCCCCC[C@H](NCC)[C@H](O)c1sc(Cl)cc1I 2366653675 HDPFMFUOOQMKHN-JSGCOSHPSA-N 429.795 5.378 30 10 IKEE C=C(C)COc1ccc(/C=C2/N=C(c3ccccc3Br)OC2=O)cc1OCC 651595 WIQOQWWTANIOJY-WOJGMQOQSA-N 442.309 5.147 30 10 IKEE Cc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(S[C@H](C=O)c3ccccc3)[nH]2)cc1 1050734 WEBLCVSGDYAQTF-OAQYLSRUSA-N 448.569 5.250 30 10 IKEE CCOc1ccccc1Nc1sc(C(=O)c2ccc(Cl)c(Cl)c2)c(N)c1C#N 2962293 QUFSTCZHBUYURL-UHFFFAOYSA-N 432.332 5.882 30 10 IKEE C=CCn1c(SCC(=O)Nc2cccc3ccccc23)nc2cc(Cl)ccc2c1=O 9353313 QMIYYCFEFKGBCD-UHFFFAOYSA-N 435.936 5.120 30 10 IKEE CSc1ccc(/C=C2\S/C(=N\c3ccccc3)N(CCCn3ccnc3)C2=O)cc1 9539719 IPJLVLOUQNCZQN-MXHYXOMCSA-N 434.590 5.299 30 10 IKEE O=C1C[C@@H](c2ccccc2Cl)CC2=C1[C@H](c1ccccc1Cl)Nc1ccccc1N2 20886172 SDPCAWNUFFQGEH-MQNRADLISA-N 435.354 6.973 30 10 IKEE Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OCC(C)C)cc2)C3)o1 21229802 YQCKRRBJBQFFCC-MMTVBGGISA-N 442.559 6.602 30 10 IKEE O=C1/C(=C/c2cccc(Br)c2)Oc2cc(OCc3cccc(Cl)c3)ccc21 33437046 IAVSPBWNOHLHJC-NHDPSOOVSA-N 441.708 6.298 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCc4ccc(Cl)cc4Cl)ccc3C2=O)c1 39754103 RMTZUAXAYUTXAB-YVNNLAQVSA-N 427.283 6.197 30 10 IKEE Cc1cc2c(n1-c1ccc(Cl)cc1)CC(C)(C)C/C2=N\OC(=O)c1ccccc1Cl 39853204 YJGSZUGPTNLKRX-SZXQPVLSSA-N 441.358 6.626 30 10 IKEE Cc1ccc(N/C(=N/C(=O)c2ccc(C(F)(F)F)cc2)NCc2ccncc2)cc1C 45940485 ZOTAEQYSQQHWNV-UHFFFAOYSA-N 426.442 5.115 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(C)=O)=C(C)Nc3nc(SCc4ccccc4)nn32)cc1 54642194 TZXDFYYBJQYWRX-HSZRJFAPSA-N 448.592 5.627 30 10 IKEE Oc1c(Cl)cc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1OC1CCCCC1 59202583 RVPAOSIWARIDBK-KBKYJPHKSA-N 432.269 7.180 30 10 IKEE CCCCCCCCCCn1c([C@@H](C)NC(=O)Cc2ccccc2C)nc2ccccc21 102132873 KOIDNYUIRSJTCH-HSZRJFAPSA-N 433.640 6.905 30 10 IKEE C/C=C/C(=O)NCCCCCc1nc2ccccc2n1CCCCCCCCCCCC 102173052 FEXSAQFTVDOKBY-RMOCHZDMSA-N 439.688 7.362 30 10 IKEE CCCCCCCCCCCCCCCCn1c(CNC(=O)C(C)C)nc2ccccc21 102215987 FSJSQBJZSALEJH-UHFFFAOYSA-N 441.704 7.790 30 10 IKEE C[C@@H](CCS)CCOc1c(Br)cc(Br)cc1Br 127128565 RYUXGUKIAKIEDI-MRVPVSSYSA-N 447.030 5.699 30 10 IKEE CCCN1C(=S)N[C@@H](c2ccc(Oc3ccccc3)cc2)C(C(=O)c2ccccc2)=C1C 169928919 HBBBENVAFPSEFU-VWLOTQADSA-N 442.584 6.277 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccccc2OC)c1 169945282 VKNLOYXAEVGHDV-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)c(C)c2)[C@H]1c1ccc(OC(C)C)cc1 169978777 YXXLPDAJHBRZIJ-XMMPIXPASA-N 435.564 5.859 30 10 IKEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@@H]1c1cccs1)c1ccc(Cl)cc1 169989911 ZKFOIAUDFFFSIZ-GOSISDBHSA-N 435.892 5.061 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@@H]2c2cccnc2)ccc1F 170004860 OOFNLPSRJHUZFS-HXUWFJFHSA-N 440.833 5.105 30 10 IKEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccncc2)cc1 170015613 HWGGKNOYSAXWBK-RUZDIDTESA-N 449.510 5.084 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2cccs2)=C(N2C[C@@H](C)C[C@H](C)C2)C1=O 170017634 GEDGGRGZLWXDFF-PMACEKPBSA-N 430.658 5.947 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccccc2)cc1 170028759 VGLVHUMEYCZYSG-DEOSSOPVSA-N 427.500 5.485 30 10 IKEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4ccc(C)c(C)c4)[C@H]3c3ccccc3)nc2c1 170055954 BYCSVNXHMXZWIC-HSZRJFAPSA-N 437.499 5.271 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccc(F)cc2)cc1 170063569 PQZPCVCFUOUVMJ-VWLOTQADSA-N 448.453 5.633 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1cccc(O)c1)c1ccc(Cl)cc1 170082647 ZANIIJUTWAEEAU-FQEVSTJZSA-N 441.817 5.107 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2ccccc2)cc1 170113568 OVSDLOMDUSDVQT-XMMPIXPASA-N 443.499 5.265 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2cccs2)c1 170156534 OSHKSWFEZQGDAX-HSZRJFAPSA-N 429.541 5.718 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@H]1c1cccs1 170165494 XYMUBDSHSKUHQY-JOCHJYFZSA-N 441.593 6.039 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)(C)C)c2)[C@@H]1c1ccncc1 170210332 QFGAZDHGTVXIGW-QFIPXVFZSA-N 436.552 5.156 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccccc2)c1C 170225801 POTBSRGXVHOQJJ-AREMUKBSSA-N 437.539 5.965 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 170235236 WQNSSKPEVIVCPQ-QHCPKHFHSA-N 447.918 5.910 30 10 IKEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3)ccc2O1 170237158 OWZMLQYNNPRBPH-PEBXRYMYSA-N 437.923 5.184 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccc(F)cc1)c1cccc2ccccc12 170241437 BARVIQZZKSUMEQ-XMMPIXPASA-N 438.458 5.152 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2C2CCCC2)cc1 170246329 SLLPQZPVROWJHS-DEOSSOPVSA-N 431.532 5.266 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccco2)cc1 170283275 IUADTQBHIHKURN-DEOSSOPVSA-N 427.500 5.504 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccco1 170284289 DIADMIVOJYNZDK-IBGZPJMESA-N 428.271 5.678 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1ccco1)c1ccc2c(c1)CCCC2 170290790 SEEHNCVOZIPXGN-JOCHJYFZSA-N 435.426 5.220 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccc(C)o2)cc1 170301447 YVQJZOCITGAVPN-HSZRJFAPSA-N 447.487 5.167 30 10 IKEE N#Cc1cnn(-c2ccc3ccccc3n2)c1Nc1ccc(-c2ccc3c(c2)CCCC3)nn1 170547529 VRIMROLCZYCZQW-UHFFFAOYSA-N 443.514 5.372 30 10 IKEE COc1cccc2c(C)cc(-n3ncc(C#N)c3Nc3cc(-c4ccccc4)nc(C)n3)nc12 170547644 BMROLWMJLXRYLK-UHFFFAOYSA-N 447.502 5.118 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 226723737 NRKWHOABCWOHKA-ZFGGDYGUSA-N 440.996 5.529 30 10 IKEE O=C1/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)SC(=Nc2ccccc2)N1c1ccccc1 252596075 CGSSCFISYSKLIY-OMSSWJLUSA-N 435.892 6.057 30 10 IKEE CSc1ccc(/C=C2/SC(=Nc3ccccc3)N(CCCn3ccnc3)C2=O)cc1 254766171 IPJLVLOUQNCZQN-LIKMOULWSA-N 434.590 5.299 30 10 IKEE CCC(C)(C)[C@@H]1CCc2sc3ncnc(NN=Cc4cc(OC)ccc4OC)c3c2C1 254854999 BIQAKCCSGMCNET-MRXNPFEDSA-N 438.597 5.696 30 10 IKEE CCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1ccc(Cl)c([N+](=O)[O-])c1 526810115 XUCJRFZQXMXABY-JJFYIABZSA-N 429.933 5.193 30 10 IKEE CCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1ccc(OCC(C)C)cc1 526822930 OZAFJZHRFWCZOD-YSMPRRRNSA-N 433.581 5.312 30 10 IKEE C[C@H](c1ccccc1)N(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586134961 RDYVCTQTEBLOPR-MRXNPFEDSA-N 445.371 5.817 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)C[C@@H]2CCCO2)cc1 586179747 HQWAJLRIRCWYDI-DEOSSOPVSA-N 440.609 5.051 30 10 IKEE C=C(C)CN(c1ccc(CCCC)cc1)S(=O)(=O)c1ccc(CCCCCC)cc1 586230765 MJGGIGPKQDSBJY-UHFFFAOYSA-N 427.654 6.923 30 10 IKEE C=C(C)CN(c1cccc(OC(F)(F)F)c1)S(=O)(=O)c1cc(Cl)ccc1OC 586259444 DBWLUVDERHUSPO-UHFFFAOYSA-N 435.851 5.019 30 10 IKEE Cc1ccc(S(=O)(=O)OC2CCC(NC(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1C 586508809 RVJQTKASXXXUFE-UHFFFAOYSA-N 443.609 5.047 30 10 IKEE C=C(Cl)C[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCC 686829808 PAEHBCHYUQUBRB-OAQYLSRUSA-N 436.040 5.057 30 10 IKEE Cc1cc(C)c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)c(C)c1 698481716 JDIOTZRKQTUQRU-LJQANCHMSA-N 429.358 6.381 30 10 IKEE Cc1cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)ccc1Br 698962824 BUOCKECKGRVBCQ-SFHVURJKSA-N 435.749 6.417 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@H](C#N)c1cccc(OCc2ccccc2)c1 698987034 GVQYTCCITHKUHV-XMMPIXPASA-N 432.495 6.411 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCOc2ccccc21 710733546 BWTYZDKKQKXQBG-NRFANRHFSA-N 429.314 5.392 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)Cc2ccc(Cl)cc2C1 710735422 GWGXMJGGUONKQD-OAQYLSRUSA-N 447.760 5.905 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@H](C#N)c1sncc1Br 711916623 CTHYTUDAOOSMNK-CYBMUJFWSA-N 428.739 5.565 30 10 IKEE C=CCC1([C@H](NCC)c2ccc(Br)c(F)c2F)CN(C(=O)OC(C)(C)C)C1 722937259 AABMLCDJRPAMFO-QGZVFWFLSA-N 445.348 5.191 30 10 IKEE Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C\C(=O)c1ccc(C(F)(F)F)nc1O 731564985 XAYBWVRMXDANDH-VURMDHGXSA-N 439.796 5.048 30 10 IKEE COc1ccc(-c2nc(N=Cc3ccccc3OC)sc2-c2ccc(OC)cc2)cc1 1084136400 SUUBJVDCZHSBCO-UHFFFAOYSA-N 430.529 6.254 30 10 IKEE COC(=O)c1ccc(N=Cc2ccc(OC(=O)c3sc4ccccc4c3Cl)cc2)cc1 1084309771 DLDADIWARZRMSC-UHFFFAOYSA-N 449.915 6.311 30 10 IKEE COC(=O)c1ccc(C=NNc2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)cc1 1084346323 PVKHNFYPITXPJB-UHFFFAOYSA-N 447.947 6.363 30 10 IKEE CCOc1ccc(/C=C2/SC(=Nc3cccnc3Cl)N(C3CCCCC3)C2=O)cc1 1772733064 JNQVHFCGGXTCSI-SUYASHRRSA-N 441.984 6.070 30 10 IKEE O=Cc1ccc(-c2c(F)c(F)c(F)c(F)c2F)c(-c2c(F)c(F)c(F)c(F)c2F)n1 1848358447 GABVFBWLNOODFH-UHFFFAOYSA-N 439.208 5.619 30 10 IKEE N#Cc1cccc(C(=O)Nc2ccc(Cl)c(NC(=O)CCCOc3ccccc3)c2)c1 1860461719 NSTVATHWZHBNMZ-UHFFFAOYSA-N 433.895 5.262 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)c1cccc2ccccc12)c1ccccc1 1861724221 NTGWMFGIAFFETI-HHHXNRCGSA-N 444.619 6.568 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)c1ccc(Cl)s1 1861745138 MPVOJNONVIVICN-MRXNPFEDSA-N 433.083 5.510 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc2nc(-c3cccc4ccccc34)[nH]c2c1 1861876138 OVBYQFJLKWMENM-UHFFFAOYSA-N 427.592 7.254 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C(C)C)cc1 1862386747 VJHNVCFDRZXBNI-HXUWFJFHSA-N 448.346 5.769 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@@H]1c1ccccc1 1862390051 USJYYKJXZYQVII-SANMLTNESA-N 447.619 6.968 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc(F)c1 1862430064 BGSHYZVUHLVHMW-AVRDEDQJSA-N 443.946 6.416 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2[C@H](C)CC)cc1 1862437028 IATSBERTSGEUHA-VFNWGFHPSA-N 427.928 5.506 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@@H]1c1cccc(F)c1)c1cccc(Cl)c1 1862445228 RDBXFCYNDJBLRD-JOCHJYFZSA-N 439.914 5.948 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCCC)cc1 1862498035 YNFTVEMOARYWSZ-VWLOTQADSA-N 449.591 6.251 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccccc2F)c1 1862502299 WKCUNQFJYJVTGT-XMMPIXPASA-N 447.481 5.669 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@@H]2c2ccc(C)cc2)cc1 1862532608 HYIQHMRULQXMAO-RUZDIDTESA-N 441.527 5.215 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2ccccc2F)cc1 1862555553 FWTZTSPLBZRRSF-FYSMJZIKSA-N 444.506 5.310 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1cccc2ccccc12 1862560552 FYRJAXMBYAIORT-WXTAPIANSA-N 448.522 5.762 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1cccc2ccccc12 1862620029 JAQYUEXEILWNMV-VWLOTQADSA-N 441.571 6.372 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862620471 SKTSRALRBLAIPQ-QHCPKHFHSA-N 433.592 6.268 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccc1Cl 1862651056 KJRACTCIVLWIDF-HSZRJFAPSA-N 433.935 6.118 30 10 IKEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2ccccc2)cc1 1862698222 DGTQEWMAPRXAST-BXKMTCNYSA-N 443.499 5.043 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2Cc2ccc(C)cc2)cc1 1862703314 UJALMMZYTYQRPD-RUZDIDTESA-N 441.527 5.345 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccccc1C 1862721888 LEGICZNIOVWCTL-RUZDIDTESA-N 441.527 5.277 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccc(C)c1 1862722684 WXEDSBUEGYXKIG-AREMUKBSSA-N 439.555 6.431 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc3nc[nH]c3c2)=C(c2ccc(F)c(C)c2)C1=O 1863462739 OPAVHMPVDAYSAR-UHFFFAOYSA-N 448.542 5.563 30 10 IKEE CCCCCCCCNC1=C(c2cccc3ccccc23)C(=O)N(CCN(CC)CC)C1=O 1863585134 TUULWYNNHKZQAU-UHFFFAOYSA-N 449.639 5.212 30 10 IKEE CCCCCCCCNC1=C(c2cc(C)ccc2C)C(=O)N(Cc2cc(C)ccc2C)C1=O 1863742393 ALDATZAANDAZJQ-UHFFFAOYSA-N 446.635 6.150 30 10 IKEE CCCc1nc(Nc2ccccc2C#N)cc(N(Cc2cccnc2)c2cccc(C)c2)n1 1868397564 CPSYSHJEWTZSHR-UHFFFAOYSA-N 434.547 6.086 30 10 IKEE CCCc1nc(Nc2ccccc2C#N)cc(N2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)n1 1868398705 OZBDDDYYOGZPLZ-VGSWGCGISA-N 431.515 5.150 30 10 IKEE CCCCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CN1CCC(CO)CC1 1870352580 AZOHXPHTTUVQPX-UHFFFAOYSA-N 448.692 5.618 30 10 IKEE CCCCCCCOc1cn(CCCOCC)c(CNc2ccc(OCC)cc2)cc1=O 1870830206 HTNJZXQVNXOIDV-UHFFFAOYSA-N 444.616 5.635 30 10 IKEE C#CCOc1cn(CC=C)c(CNc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1=O 1871004768 WOCBHMCYXWBLOI-UHFFFAOYSA-N 441.556 5.244 30 10 IKEE CCCCCCCCCCNC(=O)c1nn(C)c(NC(=O)c2ccccc2Cl)c1F 1871324073 ZFGMHUKAZMPDTE-UHFFFAOYSA-N 436.959 5.335 30 10 IKEE CCOc1ccc(CCN2COc3c(cc4c(c3C)OC(=C(C)C)C4=O)C2)cc1OCC 1871349091 UMBMPUZSTYSLSO-UHFFFAOYSA-N 437.536 5.056 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccccc4[N+](=O)[O-])c3C)C2=O)cc1 1871369451 MFDIDCNXWRJTTO-HMAPJEAMSA-N 429.428 5.301 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2OC)C3=O)cc1 1871389843 QPIDLVLPPOOXCQ-JLPGSUDCSA-N 442.467 5.404 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871405050 BIJUWURPKCKCAZ-QHSFOXILSA-N 427.500 5.634 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc(OCc4cccc(C(=O)OC)c4)c3C)C2=O)cc1 1871416313 WAYDTHCISXKBMQ-IWIPYMOSSA-N 444.483 5.376 30 10 IKEE COc1ccc(C)cc1NC(=O)CCOc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O 1871446913 ROZQZCOZSNKSSK-OYKKKHCWSA-N 447.462 5.167 30 10 IKEE COc1ccc2c(c1)c(/C=C1\Oc3cc(OCc4cccc(C)c4)cc(C)c3C1=O)cn2C 1871455174 LZAAQBZANVYBBK-ZRGSRPPYSA-N 439.511 5.999 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4cccc(C)c4C)c3C)C2=O)c1 1871458600 DEGDIDDUOXQZPM-OYKKKHCWSA-N 443.499 5.254 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1cc(C)ccc1C 1872511985 OKNQMYPBBSXFDY-QHCPKHFHSA-N 442.625 5.294 30 10 IKEE CCCCCCCCCCNC(=O)c1nonc1OCc1c(Cl)cccc1Cl 1872701029 AGJGGAZFXMDYLH-UHFFFAOYSA-N 428.360 5.826 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)c2ccc(N(C)C)cc2)n1 1872785855 AVWOTWPKJWCTSW-SFHVURJKSA-N 425.941 5.337 30 10 IKEE CC[C@@H](C)OC(=O)c1ccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1 1872847534 PRIAITZNXPDSNT-GOSISDBHSA-N 428.488 5.345 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2Br)C(=O)N([C@@H](C)CC)C1=O 1873071306 HTPNOUOQZBHEEJ-INIZCTEOSA-N 435.406 5.278 30 10 IKEE C=CCN1C(=O)C(Nc2cc(C)ccc2OC(C)C)=C(c2ccc(Cl)c(Cl)c2)C1=O 1873187413 LOQXUJCVWMAPQM-UHFFFAOYSA-N 445.346 5.467 30 10 IKEE CCCCCCCCNC(=O)Cc1c(C)c2c(cc(C)c3c(C(C)(C)C)coc32)oc1=O 1873891993 PNESLHYWKSAPHR-UHFFFAOYSA-N 439.596 6.473 30 10 IKEE CCCOc1ccccc1/C=N/n1c(COc2ccc(Cl)c(C)c2)nnc1SC 1874229439 KZIUEKKTZSDNDZ-YDZHTSKRSA-N 430.961 5.212 30 10 IKEE C=CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccccc1[N+](=O)[O-] 1874244503 IPNNBWDEPHBTEZ-BUVRLJJBSA-N 437.569 5.106 30 10 IKEE Fc1ccc(CSc2nnc(COc3ccc(Cl)cc3)n2/N=C/c2ccco2)cc1 1874263676 LHLXRWCANJFGGJ-WYMPLXKRSA-N 442.903 5.417 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc[nH]1 1874281264 ZNZVDSKDMXFBCS-CVKSISIWSA-N 435.984 5.528 30 10 IKEE C=C(C)CSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1ccc(OC)cc1 1874287957 GSXYHZJAMKPUCB-PCLIKHOPSA-N 426.630 6.301 30 10 IKEE COc1ccc(OCc2nnc(SCc3ccc(C)cc3)n2/N=C/c2ccccc2)cc1 1874290883 WPNNCYOULNGZNS-WGOQTCKBSA-N 444.560 5.349 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3F)n2/N=C/c2ccccc2O)cc1C 1874358571 OKKNOVFOZJVRCX-JFLMPSFJSA-N 446.551 5.505 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2/N=C/c2ccc[nH]2)cc1C 1874360596 OCYSCFIGERBUIK-VULFUBBASA-N 435.984 5.642 30 10 IKEE Cc1ccc(CSc2nnc(CCc3cccs3)n2/N=C/c2cccc(O)c2)cc1 1874369214 PIUJTVKFXAGRFB-BUVRLJJBSA-N 434.590 5.313 30 10 IKEE Cn1cccc1/C=N/n1c(CCc2cccs2)nnc1SCc1cccc(Cl)c1 1874373977 AYWDEWNCOMPLIW-OEAKJJBVSA-N 442.013 5.291 30 10 IKEE Fc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2/N=C/c2cccnc2)cc1 1874381869 MQQBGCLAKDZJAB-VULFUBBASA-N 437.931 5.231 30 10 IKEE Cc1ccsc1/C=N/n1c(COc2ccccc2)nnc1SCCc1ccccc1 1874384277 HURBMGSFJSVBHG-LFVJCYFKSA-N 434.590 5.444 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3)n2/N=C/c2ccccc2C)c1 1874399053 WWTHFNTYUUFELB-OVVQPSECSA-N 426.589 5.855 30 10 IKEE CCN(Cc1ccccc1)c1ccc(/C=N/n2c(SC)nnc2-c2cccs2)cc1 1874419939 MESRISSZBUXYQW-LFVJCYFKSA-N 433.606 5.637 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2-c2cccs2)c1 1874422244 BSAGTOZFGGATGB-MFKUBSTISA-N 448.617 6.197 30 10 IKEE CN(C)c1ccc(/C=N/n2c(SCCc3ccccc3)nnc2-c2ccccc2)cc1 1874428534 NORPURCPQJTDCI-LGUFXXKBSA-N 427.577 5.228 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)(C)C)n2/N=C/c2ccccc2Cl)c1 1874438713 OYRMWXDEYSVDED-AFUMVMLFSA-N 427.017 6.311 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874438896 YVQKANRROXSFJS-YDZHTSKRSA-N 443.960 5.603 30 10 IKEE Cc1cccc(/C=N/n2c(SCC(=O)N[C@H](C)c3ccccc3)nnc2C2CCCC2)c1 1874457649 ZNEURCYQJUBZNA-DZTFFZQKSA-N 447.608 5.096 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2c(F)cccc2Cl)nnc1C(C)(C)C 1874486611 BKLFNJXYNMPUSV-WYMPLXKRSA-N 432.952 5.551 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2Cl)nnc1C1CCC1 1874497492 METPHCJLUXVNDS-WYMPLXKRSA-N 431.392 6.335 30 10 IKEE Cc1ccc(COc2cccc(/C=N/n3c(S)nnc3[C@H](C)c3ccccc3)c2)cc1 1874561405 PZULQYLSTIFLNA-DZTFFZQKSA-N 428.561 5.488 30 10 IKEE Cc1ccc(COc2ccccc2/C=N/n2c(S)nnc2Cc2ccc(F)cc2)cc1 1874561666 BSZIVXOBJZTGFI-CVKSISIWSA-N 432.524 5.066 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1OCc1ccc(Cl)cc1 1874600780 CNFDURMKHJHNTI-ONNFQVAWSA-N 447.745 7.131 30 10 IKEE C=CCOc1c(Br)cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1OCC 1874602276 CWESSIFJLUQPLG-CMDGGOBGSA-N 432.270 5.217 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCc3c(F)cccc3Cl)c(Cl)c2)cc1 1874604614 WZNBROSPDBNCBK-XYOKQWHBSA-N 429.318 7.170 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OCC(=O)OCC(C)C 1874633899 ACZAZJSSOMQUMA-BQYQJAHWSA-N 444.955 5.748 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cc(OC)c(OCc3ccccc3C)c(OC)c2)cc1C 1874636894 XZHZBMUBSNQGIW-VAWYXSNFSA-N 446.543 6.113 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)ccc1OCc1ccccc1C 1874638922 YYHCSUNKWLPOFH-NTCAYCPXSA-N 438.523 6.641 30 10 IKEE Cc1ccc(C)c(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccccc3Cl)c2)c1C 1874697265 YPEOMTRZGMYELF-BUHFOSPRSA-N 434.919 6.146 30 10 IKEE CC(C)COc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 1874698364 SCXHZFSUBHAMMJ-GIDUJCDVSA-N 445.471 5.745 30 10 IKEE Cc1cc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(Cl)c(Cl)c3)c2)ccc1F 1874704090 WNLDSSZKWOJYGQ-UXBLZVDNSA-N 443.301 6.485 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccccc2F)c1 1874712302 SIKMPALLXJKYRI-MDZDMXLPSA-N 445.273 6.256 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 1874713353 RQSIBMJCBCJWRA-PKNBQFBNSA-N 445.471 5.644 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(CC)cc2)cc1Cl 1875100044 LFPIQSBQCOVBNK-GHRIWEEISA-N 426.984 7.455 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Br)cc2)ccc1OC(=O)C(C)(C)C 1875110911 IUDHJNWXMOUKST-WUXMJOGZSA-N 431.326 5.695 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2[N+](=O)[O-])c1 1875126309 AMUASMDVZNYCMX-YCRREMRBSA-N 435.863 5.980 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])c(OC)c2)cc1 1875130999 CIDRUBFHUXOUOV-RIYZIHGNSA-N 447.443 5.117 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)CCCOc1ccccc1 1875136811 XTJGEWZHDMCECC-FOWTUZBSSA-N 430.500 5.664 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1[N+](=O)[O-])c1ccc(F)cc1 1875155416 WYHAIKZKKTZTPK-RIYZIHGNSA-N 441.414 6.002 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)ccc1OC(=O)[C@H]1CCCO1 1875164646 UGVPLQLRFBQTPN-UVSKUAMOSA-N 444.483 5.468 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc(OC)c1OC(=O)CC 1875179824 CMZTWQPYGGIOMD-MDZDMXLPSA-N 428.912 5.606 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)CCOc3ccccc3)c(Cl)c2)c(C)c1 1875182534 IDQBYCCYLQGEFV-PKNBQFBNSA-N 448.946 6.536 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)c1cccs1 1875184766 PAQLKIKMNIISLL-ZHACJKMWSA-N 446.568 6.526 30 10 IKEE N#Cc1cncc(C2=CCN(C(=O)c3ccc(-c4nc5ccccc5s4)s3)CC2)c1 1890718161 LQRBHYZZUWVFPJ-UHFFFAOYSA-N 428.542 5.221 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@](C#N)(C1CCC1)C(F)(F)F 1892917171 OIUBHPXZWDNSLA-KRWDZBQOSA-N 433.268 5.815 30 10 IKEE C=CCC(CC=C)OC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)CC 1899398903 VLVATLMLYSWTHO-NIYFSFCBSA-N 447.575 6.004 30 10 IKEE C[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1938773807 WZVHXCGLMXUDDC-OYHNWAKOSA-N 435.952 5.373 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)cc1 1944076883 ZJGWHEUCURGTRC-HXUWFJFHSA-N 429.561 6.168 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CC[C@H]2NC(=O)OCc2ccccc2)cc1 1959030069 JLEZZFOBLBYNDS-BWKNWUBXSA-N 435.524 5.088 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1C[C@@]2(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 2000547951 LDBIYQPGCSLNAK-FIEAQMJYSA-N 447.601 5.071 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)C1(C#N)[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2 2048812058 RNBWGNPPCIXWSG-GOTSBHOMSA-N 431.580 5.623 30 10 IKEE Cc1ccc([C@H](C2CCC2)n2nc(C(C)(C)C)c(C#N)c2I)cc1C 2078992693 RSLJITKRYUEDRZ-SFHVURJKSA-N 447.364 5.663 30 10 IKEE Cc1ccc([C@H](n2nc(C3CC3)c(C#N)c2I)C(C)(C)C)cc1C 2079115479 HBEUWVOXKAJZBS-SFHVURJKSA-N 433.337 5.489 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@]1(C#N)CCN(Cc2ccccc2)C(C)(C)C1 2079241935 XWTNRPWJBXZFAS-MHZLTWQESA-N 439.644 6.283 30 10 IKEE CC(C)(C)[C@@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)(F)F)c(C=O)c1Cl 2079847280 QDXYPNBVBRXWQW-CYBMUJFWSA-N 430.751 6.161 30 10 IKEE CC[C@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)(F)F)c(C=O)c1Br 2080053354 IDUZKRLLNLWXFR-LLVKDONJSA-N 447.148 5.634 30 10 IKEE N#Cc1c(C2CCCCC2)nn2c(Cl)cc(-c3cccc(F)c3Br)nc12 2081389348 DKJKDPNOVZJODT-UHFFFAOYSA-N 433.712 5.871 30 10 IKEE C=CCCCCCCCC[C@@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)NC 2086260555 ATEIYTJFJIYPPH-VWLOTQADSA-N 445.692 5.908 30 10 IKEE C=CCN(CC[C@H](Cc1ccc(Cl)c(Br)c1)NCC)C(=O)OC(C)(C)C 2110505275 ZOPMLBBSWGHVHY-MRXNPFEDSA-N 445.829 5.436 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCCO[C@@H]1C(C)(C)C 2160258422 PUUAUWVNLCKFEX-UTKZUKDTSA-N 437.378 5.678 30 10 IKEE C#Cc1cccc(N(C)C(=O)c2ccc(Br)c(NC(=O)OC(C)(C)C)c2)c1 2180050001 AAQDNHDTTFCLDG-UHFFFAOYSA-N 429.314 5.054 30 10 IKEE C#CC[C@H](C[C@@H](NCC)c1cc(I)ccc1Br)C1CC1 2196856972 IMETXLAUKUQOEH-CXAGYDPISA-N 446.170 5.144 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)[C@H]1C[C@@H]1c1ccccc1 2200299028 UWWQXXXZCPKGLG-HSALFYBXSA-N 427.342 5.886 30 10 IKEE CCCCCC#CC[C@@H](NCC)c1cc(I)ccc1Br 2203807010 JNQGWNOJVICZLW-QGZVFWFLSA-N 448.186 5.678 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(C(F)(F)F)ccc1Br 2228071605 CUPZVQRQNHNRQA-XHDPSFHLSA-N 435.284 6.068 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C1CC1 2246528264 WXTDDJPETARBKX-HJOGWXRNSA-N 428.617 5.163 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NC)c1cc(Br)cc(C(C)(C)C)c1 2288660142 FYSJAYBKXNDVON-RBUKOAKNSA-N 439.438 5.867 30 10 IKEE O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)C1=C(O)c1ccccc1 2296340308 JZXZXNHFOCTHJU-FQEVSTJZSA-N 441.380 5.471 30 10 IKEE O=C1NC(=Nc2ccccc2Cl)SC1=Cc1ccccc1OCc1ccc(F)cc1 2313507376 IUMNXYYKDVGRNB-UHFFFAOYSA-N 438.911 5.950 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccccc3F)nnc2C2CC2)cc1OCC 2320856248 SLTWGCFITCSWJI-UHFFFAOYSA-N 440.544 5.267 30 10 IKEE O=C(O)c1ccccc1C=Nn1c(SCc2c(Cl)cccc2Cl)nnc1C1CC1 2320867817 QSELJUVASYMXLD-UHFFFAOYSA-N 447.347 5.335 30 10 IKEE CN(C)c1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CC2)cc1 2320874340 MFGOXCRTINFACM-UHFFFAOYSA-N 427.577 5.549 30 10 IKEE O=C1C(=Cc2ccc(Br)cc2)Oc2c1ccc1c2CN(Cc2ccco2)CO1 2321962095 LATMUZDIALOAGQ-UHFFFAOYSA-N 438.277 5.010 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1c(F)cccc1Cl)O3)CN(Cc1cccs1)CO2 2321968138 FOXVCPMXKCKOTB-UHFFFAOYSA-N 441.911 5.817 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCCc1ccccc1)c1cccc(Br)c1 2322464976 LGBXSDUKUUHEKR-UHFFFAOYSA-N 441.752 6.620 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2C)C3=O)cc1OC 2322748690 ULURKZMKFJIKCV-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE COc1ccc(CC(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2322904318 VPUDWFUPMXZTRB-UHFFFAOYSA-N 434.875 5.421 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2OC(F)F)C3=O)cc1C 2323247608 RSBQCUSVYRQUCC-UHFFFAOYSA-N 436.410 5.740 30 10 IKEE CCCOc1ccccc1C=CC(=O)Oc1cc(C)c2c(c1)OC(=Cc1ccccn1)C2=O 2323341868 XGZFXXVNAXUACF-UHFFFAOYSA-N 441.483 5.414 30 10 IKEE O=C1C(=Cc2ccc([N+](=O)[O-])cc2)Oc2cc(OC(=O)c3c(F)cccc3Cl)ccc21 2323353718 FHPQRCCJAYWPRX-UHFFFAOYSA-N 439.782 5.223 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(OC)c(OCc3cc(C)ccc3C)c(OC)c2)c1 2323486152 QXGPWDFXDDGMJD-UHFFFAOYSA-N 432.516 5.804 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1 2323536968 LAFZANHBGZPQLT-UHFFFAOYSA-N 439.382 7.811 30 10 IKEE CCCCCCCCCCN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2323720559 JKRHMZOQMBHRJS-UHFFFAOYSA-N 440.472 6.791 30 10 IKEE Cc1c(OC(=O)CCc2ccccc2)ccc2c1OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2323724127 NCOKMDNMGCFIPI-UHFFFAOYSA-N 429.428 5.058 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1nccs1 2323896158 SDRXXJAITGYZFO-UHFFFAOYSA-N 442.924 5.027 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OCC(=O)NC1CCCCC1 2323919632 WVGIQIGXXAHIEA-UHFFFAOYSA-N 447.575 5.456 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OCc3ccccc3C)c(OC)c2)cc1F 2324107384 RQTZGGWJZYQUQK-UHFFFAOYSA-N 440.898 6.280 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OCc1c(F)cccc1Cl 2324141396 CAKPYWAYFHRIEW-UHFFFAOYSA-N 446.905 7.116 30 10 IKEE Cc1c(O[C@H](C)C(=O)Nc2ccccc2)ccc2c1OC(=CC=Cc1ccccc1)C2=O 2324405835 GHVJSYDAOQAFPV-LJQANCHMSA-N 425.484 5.573 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)cc1Cl 2324607054 AWIGYZSQTIGODK-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2sccc2C)C3=O)c1 2324825863 QXMMXVCRTOLXGX-INIZCTEOSA-N 447.512 5.281 30 10 IKEE CCCOc1ccc(C=CC(=O)C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1OCC 2325648982 HUTFDLZTBFNDSS-UHFFFAOYSA-N 444.531 5.081 30 10 IKEE CCc1ccccc1OCC(=O)Oc1cc(C=CC(=O)c2ccc(OC)cc2)ccc1OC 2325718400 TTXSSFYHYNTQIC-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE CC(C)c1ccccc1NC(=O)COc1ccc2c(c1)OC(=Cc1cccc(Cl)c1)C2=O 2325726142 RMYCCPIGKVPZTH-UHFFFAOYSA-N 447.918 6.097 30 10 IKEE O=C(C=Cc1cccc(OC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)c1)c1ccc(F)cc1F 2325726446 WADLHPYURPGDCY-LEWJYISDSA-N 438.857 6.223 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(OCC(C)C)cc3)c2)cc1F 2325748635 NHLJSBZPEITAIG-UHFFFAOYSA-N 448.490 5.984 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cc(C)cc(C)c3)c2)c(OCC)c1 2325762856 ULBFIRRLQZINJF-UHFFFAOYSA-N 444.527 6.216 30 10 IKEE OCCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1cccc(Cl)c1 2326936729 LJLALISXOFYVIB-UHFFFAOYSA-N 445.032 5.047 30 10 IKEE Cc1cccc(CSc2nnc(COc3cccc(C)c3C)n2N=Cc2cccs2)c1 2328827649 QLGMBMDNXMMJKT-UHFFFAOYSA-N 448.617 6.018 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc[nH]1 2329503269 JFBINFVYYNKELB-UHFFFAOYSA-N 435.984 5.528 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccco1 2329763826 IKRLDVWTETTWEK-UHFFFAOYSA-N 442.519 5.929 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2)n1N=Cc1ccc(C(F)(F)F)cc1 2329917716 AOKLPGHGKVSJNW-UHFFFAOYSA-N 432.471 5.426 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cc(C)ccc3C)n2N=Cc2cccc(O)c2)cc1 2329995436 WTDSZPMXSVDGFH-UHFFFAOYSA-N 442.588 5.674 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2)n1N=Cc1ccc(N(C)C)cc1 2330108613 YZXAJXPLXTUSGL-HXUWFJFHSA-N 441.604 5.670 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC(C)C)NC(=O)C=Cc1ccc(OC)cc1 2330123603 REXWAHCIKKGKFP-DEOSSOPVSA-N 430.633 5.496 30 10 IKEE Cn1cccc1C=Nn1c(CC2CCCCC2)nnc1SCc1ccccc1Cl 2330275574 SGLOYDMNJQNLKD-UHFFFAOYSA-N 428.005 5.567 30 10 IKEE Cn1cccc1C=Nn1c(Cc2cccs2)nnc1SCc1ccccc1Cl 2330396087 HAXMFGUSOXTBQU-UHFFFAOYSA-N 427.986 5.097 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4ccccc4c3)cc2OC)c1 2330674885 DVKHRGLCZREGNF-UHFFFAOYSA-N 438.479 5.972 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)cc1 2330825685 MDMBVRFDDYUNHT-UHFFFAOYSA-N 443.499 6.361 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(C=CC(=O)c3ccccc3Cl)cc2[N+](=O)[O-])c1 2330929541 FRPHOOQYXHWIDG-UHFFFAOYSA-N 449.890 5.909 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 2330950579 BYQBYNPKPHMZGN-UHFFFAOYSA-N 448.946 6.761 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)Cc3ccc(C)cc3)c(OC)c2)cc1 2330953453 YRDCGCXVWABAOK-UHFFFAOYSA-N 446.499 5.065 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@H]3CCCO3)n2N=Cc2ccc(C(C)C)cc2)c1 2330961466 YSCSIHOTOZLCRD-HSZRJFAPSA-N 434.609 6.044 30 10 IKEE C[C@H](C(=O)Oc1ccc(C=CC(=O)c2cccc(Br)c2)cc1)c1ccccc1 2330994459 DMUGTEKQRVKECL-KRWDZBQOSA-N 435.317 6.054 30 10 IKEE Clc1ccc(CSc2nnc([C@@H]3CCCO3)n2N=Cc2ccccn2)cc1Cl 2331001082 VSCZRRFLABKLAM-KRWDZBQOSA-N 434.352 5.006 30 10 IKEE Cc1cccc(CSc2nnc(C3CCCC3)n2N=Cc2cc(Cl)ccc2O)c1 2331046560 TXSDQPZHFBKNQV-UHFFFAOYSA-N 426.973 5.778 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 2331078054 RLOVUKSBGHLSRY-UHFFFAOYSA-N 447.443 5.117 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)COc1ccc(C)c(C)c1 2331164219 OXAYQQYVIULSMK-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE COCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccc(Cl)cc1Cl 2331240145 WXIZGHDKYCJPBM-UHFFFAOYSA-N 435.380 5.257 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3cccc(OC)c3)cc2)cc1 2331295909 SMAQUXZOVVLKLM-UHFFFAOYSA-N 446.499 5.365 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)c1ccc(C)c(C)c1 2331318584 CZJLZGBHDKXXFY-UHFFFAOYSA-N 444.527 6.053 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccccn3)c(Br)c2)c1 2331320461 QCOHGTAYKDVAQY-UHFFFAOYSA-N 436.305 5.576 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)COCc1ccccc1 2331330699 CIORHYMPYUZVPT-UHFFFAOYSA-N 430.500 5.330 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(C)c3)cc2[N+](=O)[O-])c1 2331339967 HULXTQPWEBNCGO-UHFFFAOYSA-N 449.434 5.556 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(C(=O)O)cc1 2331409035 LFNNKKMLLYOJJM-UHFFFAOYSA-N 428.945 5.102 30 10 IKEE CCCCCCCCCCNC(=O)C=Cc1ccc(Oc2ccc(Cl)cc2)cc1Cl 2331463393 CNJDJKPRRARZHH-UHFFFAOYSA-N 448.434 8.056 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)c1cccnc1 2331506010 DVYVZBHYIQRCBV-UHFFFAOYSA-N 441.527 6.057 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)C2CC2)c(Cl)c1 2331636508 KBUZZTIKGFXLER-UHFFFAOYSA-N 425.695 5.867 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1ccc2c(c1)OCO2 2331709631 SQVOSUMANQYHQG-UHFFFAOYSA-N 444.483 5.546 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3c(C)cc(C)cc3C)cc2OC)cc1 2331779967 JPGODEZKSUDLGN-UHFFFAOYSA-N 444.527 6.134 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3c(C)cc(C)cc3C)cc2OC)cc1 2331780274 RFVCHVHCILYSFO-UHFFFAOYSA-N 428.528 6.298 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1C 2331835400 FBTMHBATANBTRG-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE C=CCN(C[C@@H](NC)c1c(C)c(C)c(Br)c(C)c1C)C(=O)OC(C)(C)C 2348299947 KZOCBTDMRMMBCO-QGZVFWFLSA-N 425.411 5.366 30 10 IKEE CC1(C)CC=C(B2OC(C)(C)C(C)(C)O2)CN1Cc1ccc(Cl)cc1Br 2362501768 WMAHCLZWHCNZSR-UHFFFAOYSA-N 440.618 5.645 30 10 IKEE CC[C@H](NCC1(N(C)Cc2ccccc2)CCC1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363849223 ZCZJUCRGVFXEEK-VWLOTQADSA-N 448.460 5.081 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccccc3s2)cc1 9993292 LXZOJAMPWCKESK-OAQYLSRUSA-N 426.497 5.388 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(C(C)(C)C)cc2)cc1 20882957 RWMNAEAZUSRDSH-REWPJTCUSA-N 431.576 5.777 30 10 IKEE Cc1noc2c1[C@H](c1ccc(Br)cc1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 28051612 HYLJVUKIDKABHT-IERDGZPVSA-N 435.321 5.704 30 10 IKEE CCCCCCCCOC(=O)[C@H](CSCc1ccccc1)NC(=O)c1ccccc1 33354433 CVNMVWYEEXXDLC-QHCPKHFHSA-N 427.610 5.622 30 10 IKEE biogenic O=C1/C(=C\c2cccc(Cl)c2Cl)S/C(=N\c2ccccc2)N1c1ccccc1 33488959 UKBNRNSJEYFUED-ZMPTXAIYSA-N 425.340 6.802 30 10 IKEE Cc1ccc(NC(=O)[C@@]23CC[C@@](C)(/C(=N/OC(=O)c4ccccc4Cl)C2)C3(C)C)cc1 33960644 ZYYHSQFPNBIBGU-OVZGRCFESA-N 438.955 6.016 30 10 IKEE C=C(C)C(O)(C(=C)C)c1ccc(CN(Cc2ccco2)Cc2cccc(OC)c2OC)o1 36202312 RGFHFFABWBLDOL-UHFFFAOYSA-N 437.536 5.432 30 10 IKEE Cc1c(/N=N/c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c(O)n(C2CCCCC2)c(=O)c1C#N 39871341 IAPYOBKQMPOLEA-OCEACIFDSA-N 449.389 5.582 30 10 IKEE C=CCc1ccccc1OCCCCn1c(CCNC(=O)c2ccco2)nc2ccccc21 40199073 RLNOSWBOMUUQPW-UHFFFAOYSA-N 443.547 5.190 30 10 IKEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)cc1OC 41289543 JYZRPJSUYQXEJV-FMCGGJTJSA-N 430.456 5.156 30 10 IKEE C=CCNCC1=C(Sc2ccccc2)c2sc(NC(C)=O)c(C(=O)OCC)c2CC1 58983198 MDJBVFVYEGOGOG-UHFFFAOYSA-N 442.606 5.108 30 10 IKEE N#CCCn1cc(/C=C\C(=O)N2CCC[C@H]2c2nc3ccccc3s2)c2ccccc21 96533378 HQWQGEVGKBNZRB-MLUDITRGSA-N 426.545 5.542 30 10 IKEE CCCCCCCOc1ccc(CNCCc2ccccc2)c(OCCCCCCC)c1 100046671 BYBRSCNUSRRHFK-UHFFFAOYSA-N 439.684 7.717 30 10 IKEE CCCCCCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1 100441834 UXYUIGUHMWYUQK-UHFFFAOYSA-N 438.678 6.357 30 10 IKEE CCCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccc(C)cc1 100461880 QLTCSTJRVJTGRS-UHFFFAOYSA-N 429.733 9.755 30 10 IKEE Cc1ccc(C(=O)O/N=C2\C[C@@]3(C(=O)Nc4ccccc4Cl)CC[C@@]2(C)C3(C)C)cc1 100965268 SQDZNBVYTQXUCD-ONSPKLCJSA-N 438.955 6.016 30 10 IKEE CCCCCCCn1c(CCCNC(=O)Cc2ccccc2Cl)nc2ccccc21 102156512 MQFYRZYCABANPX-UHFFFAOYSA-N 426.004 5.952 30 10 IKEE CCCCCCCCCCCCCCCCCCn1c([C@@H]2CCCO2)nc2ccccc21 102192992 BDQYMMURRXDTDO-NDEPHWFRSA-N 440.716 9.149 30 10 IKEE CCCCCCCCNS(=O)(=O)c1cc(Br)c(C)cc1Br 147306494 NSQGPIGCMGCZAX-UHFFFAOYSA-N 441.229 5.159 30 10 IKEE Cc1sc(N/N=C\c2ccc(OC(C)C)c(Br)c2)nc1-c1ccccc1 169942599 VCUZBFLGFLRRJE-UUYOSTAYSA-N 430.371 6.114 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(O)cc2)c1 169958958 DQFMIUDSEATBQP-QFIPXVFZSA-N 433.891 5.445 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cccc(C)c1 169967186 ANDVJHDHXWEWMX-RUZDIDTESA-N 441.527 5.399 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@@H]2c2ccccn2)c1 169993121 HBMGAXWMEDYXPO-OAQYLSRUSA-N 436.870 5.274 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccccc2)cc1 170048883 GZXKFZZBNWVTPF-MHZLTWQESA-N 447.534 6.746 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2ccccc2)ccc1F 170051973 NCMAGWGBMWDDRY-QFIPXVFZSA-N 435.882 5.879 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)c1 170061381 OYTKCKRDHYYZRP-QFIPXVFZSA-N 435.882 5.879 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2c[nH]c3ccccc23)c1 170074569 IXPJTAQWXUZAGQ-SANMLTNESA-N 436.511 5.578 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2sccc2C)cc1 170106320 BTVNYEUSVBAELR-OAQYLSRUSA-N 433.529 5.465 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 170150252 UFPAWCKWHYLGTO-DEOSSOPVSA-N 449.591 6.068 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@@H]2c2ccccn2)cc1C 170171024 RRQKKURBUFEPCU-XMMPIXPASA-N 442.515 5.134 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2C)cc1C 170272565 VGKFBUKGXCBINI-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccccc1C 170276712 AJZLLJYQOFPHQD-LJQANCHMSA-N 428.326 5.136 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccco1 170284070 QOPMSFVJSPELIK-QHCPKHFHSA-N 443.886 6.178 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@H]2c2ccco2)cc1C 170288416 CJSDPYKEDUKQHL-NRFANRHFSA-N 437.879 5.341 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2ccco2)c1 170290372 GAORNNCHABYVNR-NRFANRHFSA-N 439.414 5.128 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(C)o2)c1 170303711 OWCADPOQWPTWSS-HSZRJFAPSA-N 431.488 5.468 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2c(C)[nH]c3ccccc23)cc1C 170404162 NYBYMZVYFQANKA-VWLOTQADSA-N 436.511 5.876 30 10 IKEE COc1cccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(OC(F)(F)F)cc2)c1 170429597 QKLKKWSCOFKLCE-SFHVURJKSA-N 449.425 5.109 30 10 IKEE N#Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)oc(-c2ccccc2)c1-c1ccccc1 170494044 FBLJBEMDDCTMSH-UHFFFAOYSA-N 443.846 6.299 30 10 IKEE C[C@H](NC(=O)C[C@@H]1S/C(=N/c2ccccc2)N(c2ccccc2)C1=O)c1ccccc1 229680201 ZTAJNUUCTRKCMJ-ULOJKKRISA-N 429.545 5.090 30 10 IKEE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(CC)cc2)SC1=Nc1cccc(Cl)c1C 252614608 JKQDMARGBGWDEQ-HXUWFJFHSA-N 441.984 5.357 30 10 IKEE CCOc1cc(/C=C2\SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)ccc1O 252621530 NAPOFXOYNJXIQX-GCNWNYGFSA-N 444.556 6.216 30 10 IKEE CCOc1cc(/C=C2/SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)ccc1O 252621531 NAPOFXOYNJXIQX-GUGSDYAWSA-N 444.556 6.216 30 10 IKEE COc1ccc(C=NN(C)c2nc(-c3ccc(Sc4ccccc4)cc3)cs2)cc1 254519395 IPQGTILFYCMMCZ-UHFFFAOYSA-N 431.586 6.440 30 10 IKEE CC1(C)OB(c2ccc(COc3c(Cl)cc(Cl)cc3Cl)c(F)c2)OC1(C)C 305172738 UFKSAAZRXCLDCW-UHFFFAOYSA-N 431.527 5.664 30 10 IKEE CCN[C@@H](CC#CC(C)(C)C)c1cc(Br)ccc1I 388759187 CJNVXCVMWJNRHC-HNNXBMFYSA-N 434.159 5.144 30 10 IKEE COc1cc(/C=N\n2c(Cc3ccccc3)nnc2SCc2cccc(C)c2)ccc1O 526808302 GGVHVQMNIFZXRW-QQXSKIMKSA-N 444.560 5.066 30 10 IKEE CCCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1cccc(OC)c1 526815473 YDGMYCNJMFYGNX-CFRMEGHHSA-N 449.407 6.111 30 10 IKEE CCCOc1cccc(/C=N\n2c(CC)nnc2SCc2ccc(Cl)cc2Cl)c1 526824264 SJPJFSHZZJRBAF-CFRMEGHHSA-N 449.407 6.111 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1ccc(O)c(Cl)c1 526824286 UKUDPTWOAZIPQF-AFPJDJCSSA-N 441.771 5.681 30 10 IKEE CSc1nc(O)c(C(=O)N[C@H](c2ccccc2)c2cc(Cl)ccc2Cl)cc1C#N 544292920 PLCGBSROBBZHKF-GOSISDBHSA-N 444.343 5.207 30 10 IKEE CCCCCCCCC(=O)Nc1cc(S(=O)(=O)O)ccc1OC(=O)CCCCC 585669067 QPZNRJDBRWUZJA-UHFFFAOYSA-N 427.563 5.108 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(CCCC#N)Cc2ccccc2OC)cc1 586179466 CYMXSOIKNAYVKN-UHFFFAOYSA-N 428.598 5.313 30 10 IKEE Cc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)c(Cl)c2)cc1C 586213226 XLAZGROQPJFZJG-UHFFFAOYSA-N 428.916 5.363 30 10 IKEE C[C@H]1CCCC[C@H]1NC(=O)Nc1cccc(C(=O)Nc2scc(C(C)(C)C)c2C#N)c1 586639286 MCVKCDFCRFDKKL-MGPUTAFESA-N 438.597 5.870 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@](C)(C#N)COc1ccccc1 698451065 IKCQXZPRCCTYJP-OAQYLSRUSA-N 431.330 5.552 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@H](C#N)c1ccc(Br)cc1Cl 698453832 HLQVCTINTLRZBT-QGZVFWFLSA-N 427.770 6.237 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@](C)(C#N)c1ccc(Br)cc1F 698951449 BSOSGAMIFGYFMF-QGZVFWFLSA-N 426.290 5.264 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2nc(C)c(Br)s2)cc1 719322204 PBFXRDSYQIQQDL-AWEZNQCLSA-N 438.347 5.229 30 10 IKEE CCc1ccc(NC(=O)CSc2nc3ccc(N=Cc4ccc(F)cc4)cc3s2)cc1 1084142547 YXKVHWBYFMFPGJ-UHFFFAOYSA-N 449.576 6.479 30 10 IKEE CCN1C(=O)/C(=C(\C)c2ccc(Br)cc2)SC1=Nc1cccnc1Cl 1772732477 FLDRTYFNFLTZFQ-AXPJIBDUSA-N 436.762 5.512 30 10 IKEE CCCCc1ccc(-n2cc(/C=N\NC(N)=S)c(-c3ccc(C(C)(C)C)cc3)n2)cc1 1857806830 KOQUZQSVHWSPBM-YUMHPJSZSA-N 433.625 5.347 30 10 IKEE CC(C)c1ccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)nn2-c2cccc(Cl)c2)cc1 1859396175 IGQXCQGIDPQEDI-UHFFFAOYSA-N 440.934 6.440 30 10 IKEE N#Cc1c(NC(=O)c2ccc(F)c([N+](=O)[O-])c2)oc(-c2ccccc2)c1-c1ccccc1 1859486176 UKELYIMXEGOLIY-UHFFFAOYSA-N 427.391 5.785 30 10 IKEE COc1ccccc1-c1nc2ccc(C(=O)Nc3sc4c(c3C#N)CCCC4)cc2o1 1859743105 YOKCSQXLJDIMQS-UHFFFAOYSA-N 429.501 5.568 30 10 IKEE CCCCCCCCCOc1cccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1 1860099612 APBVYEUPWBJOTJ-UHFFFAOYSA-N 429.557 6.094 30 10 IKEE CCOc1cc(/C=C/C(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)ccc1OC 1860728689 JIPNSWHCNULBAF-GQCTYLIASA-N 428.699 5.275 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc(F)cc1 1861376420 HRSFTSFQHWJVNZ-DEOSSOPVSA-N 444.566 5.563 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)COc1ccccc1OCC 1861630561 CFVXKFHDWGXGGF-QFIPXVFZSA-N 448.648 5.396 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(-c3ccccc3)cc2)n(Cc2ccc(C)cc2)n1 1862378026 BKHNYPCTABXUFY-UHFFFAOYSA-N 447.582 6.388 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(F)cc2)cc1 1862391303 XLRSTHZDSLFOPA-QHCPKHFHSA-N 433.479 5.540 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(Cl)cc1 1862470744 VLGWXHIXRJNOGT-KPZWWZAWSA-N 448.744 5.479 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862476518 BEPVHWSTOOMJBV-HSZRJFAPSA-N 431.557 5.958 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2cccc(Cl)c2)cc1 1862476547 LUMLYYDLIWDNFH-SBUREZEXSA-N 431.919 5.988 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccccc2Cl)c1 1862508224 ZARDVKCBOQBWQC-HSZRJFAPSA-N 449.909 5.874 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2cccc(OC)c2)cc1 1862529342 DXXGUPHDPJGYIA-VWLOTQADSA-N 445.559 5.726 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1cccc(F)c1)c1ccc2c(c1)CCCC2 1862545002 QKBSPTVQEZBDEP-RUZDIDTESA-N 441.502 5.483 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1Cl 1862583681 IGWOLZZCMBORSB-BBATYDOGSA-N 438.738 6.024 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2cccs2)cc1 1862594630 HIIOIGSNZFXQCS-QFIPXVFZSA-N 433.529 5.356 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C(C)C)cc1 1862622577 FWQFNTNNKPFDKM-DEOSSOPVSA-N 449.591 6.150 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCC(C)C)cc1 1862638044 RZSZQXFPZYTZJL-JOCHJYFZSA-N 425.500 5.021 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(C(C)C)cc2)=C(O)C(=O)N1Cc1ccncc1 1862660906 RNQCTRQWZUZYGS-DEOSSOPVSA-N 426.516 5.292 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2ccc(F)cc2)cc1 1862661743 GSEGQPXPWKSFDE-QHCPKHFHSA-N 449.547 5.832 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(O)cc2)cc1 1862662155 IQJKTLKPOCWJKQ-XMMPIXPASA-N 433.548 5.817 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2ccccc2C)cc1 1862687888 QZMIFURCYZQWIV-RUZDIDTESA-N 441.527 5.215 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2C2CCCC2)cc1 1862696096 MYDULDRGHSXVHE-DEOSSOPVSA-N 449.547 5.395 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@H]2c2ccccc2C)c1 1862699605 WWVKAVULAOPBPM-VWLOTQADSA-N 441.527 5.133 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(OCC)cc1 1862704196 UKATYGRKCFREHE-HSZRJFAPSA-N 437.536 5.253 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(F)c(C)c2)C1=O 1863462462 CBNABRAQVLEMQA-UHFFFAOYSA-N 433.527 5.558 30 10 IKEE CCCCCOc1ccc(/C=C(/C(=O)Nc2ccccc2C#N)c2ccccc2)cc1OC 1865909010 BLISXCKBSJKEBV-HKOYGPOVSA-N 440.543 6.315 30 10 IKEE N#Cc1cnn(-c2ccccc2F)c1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1865966269 JUMXABFLTHAQCV-UHFFFAOYSA-N 442.294 5.173 30 10 IKEE C=CCN(CC=C)c1cc(N2CCN(CCC)CC2)nc(-c2ccc(C(C)(C)C)cc2)n1 1867998080 QCWKBVDQHAVWOI-UHFFFAOYSA-N 433.644 5.152 30 10 IKEE COc1ccc2c(c1)C[C@H](C)CN2c1cc(Nc2cccc(C#N)c2)nc(-c2ccccc2)n1 1868354639 IJSQULNLXCIOGA-IBGZPJMESA-N 447.542 6.098 30 10 IKEE CCCCCCCCCCn1cc(OCCCC)c(=O)cc1CSc1ccccc1 1870182874 UWSBYYQMUTUSFG-UHFFFAOYSA-N 429.670 7.460 30 10 IKEE CCCCCCCCCCn1cc(OCCCO)c(=O)cc1CSCc1ccccc1 1870238045 SLGCXFNJLLDWHC-UHFFFAOYSA-N 445.669 6.184 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(Cl)cc2)c(CN2CCC(C)CC2)cc1=O 1870414586 RYJQZMVIIZGKKS-UHFFFAOYSA-N 445.047 6.131 30 10 IKEE CCCCCCCCCCn1cc(OCC)c(=O)cc1CNc1ccc(C)c(Cl)c1 1870784934 HGRLTLPUQKILGG-UHFFFAOYSA-N 433.036 6.962 30 10 IKEE CCCCCCCOc1cn(Cc2cccnc2)c(CNc2ccccc2CC)cc1=O 1870833806 UNLKFPKEHNWMHW-UHFFFAOYSA-N 433.596 5.815 30 10 IKEE CCCCCCCOc1cn(Cc2ccncc2)c(CNc2ccc(CC)cc2)cc1=O 1870836514 YXJSZRHNTQQQKF-UHFFFAOYSA-N 433.596 5.815 30 10 IKEE CCCCCCCOc1cn(Cc2ccccn2)c(CNc2ccc3nc[nH]c3c2)cc1=O 1870838035 KZWOMFPDCOVKCT-UHFFFAOYSA-N 445.567 5.129 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccccc1F)C3=O)CN(Cc1cccc(Cl)c1)CO2 1871355649 SFAWHISYELHSBU-JJFYIABZSA-N 435.882 5.756 30 10 IKEE CCCCN(CC)Cc1c(O)ccc2c1O/C(=C\c1cccc(Br)c1)C2=O 1871395772 LHUNHDVIAQMRCS-MOSHPQCFSA-N 430.342 5.393 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccc(F)cc4)ccc3C2=O)cc1 1871401212 WUUALQXTZHVKOS-SGMWPGOQSA-N 431.463 5.410 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OCc4ccc(C#N)cc4)cc(C)c3C2=O)c2ccccc21 1871418128 YFPMQAREXNLEJQ-ZMFRSBBQSA-N 434.495 6.037 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O)Nc1ccc2ccccc2c1 1871419833 QJOXHCWDPIJIHV-MXAYSNPKSA-N 439.442 5.613 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2)Oc2cc(OCc3nc(O)c4ccccc4n3)ccc21 1871430200 CWWLPKRHZKDKIR-NHDPSOOVSA-N 430.847 5.184 30 10 IKEE Cc1cc(OCc2cccc(Oc3ccccc3)c2)cc2c1C(=O)/C(=C/c1cccs1)O2 1871436652 JLKKFCKGEACZPN-XYGWBWBKSA-N 440.520 7.044 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(Cl)cc4C)cc(C)c3C2=O)cc1 1871454078 AOBKPYXLYYKSBW-FMCGGJTJSA-N 447.918 5.899 30 10 IKEE CCCCCCCCCCN=c1nc(N2CCCCC2)[nH]c(=Nc2cccc(Cl)c2)[nH]1 1871647415 UQXIJNNKFCBBRR-UHFFFAOYSA-N 445.055 5.655 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cc(C)cc(C)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872005755 WFPGTRSKYVNJSU-CVDCTZTESA-N 446.588 5.063 30 10 IKEE Cc1ccc(C)c(OCC(=O)[C@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)c1C 1872773707 VRTJDHXZXBSLFL-NRFANRHFSA-N 432.589 6.288 30 10 IKEE COc1c(Cl)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)/C=C/c2ccc(F)cc2)n1 1872777980 AOIYGGKXMDXCJH-RRGWEWPQSA-N 447.318 6.154 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C\c3ccc4c(c3)OCCO4)n2)c(C)c1C 1872778378 KBWHGUGPHYMURQ-OCTSTCLRSA-N 446.528 5.096 30 10 IKEE N#Cc1nc(-c2cccs2)oc1N/N=C/c1cccc(OCc2cccc(Cl)c2)c1 1873462010 JSJSYJSRTHOYSC-DHRITJCHSA-N 434.908 5.953 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C(C)C)cc2)cc2c(NCCc3ccccc3)ncnc21 1873606745 BFVSTDSZWFSKHU-UHFFFAOYSA-N 439.563 5.648 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C(C)C)cc2)cc2c(NCc3ccc(F)cc3)ncnc21 1873611799 SCZHYYYPJVMIDY-UHFFFAOYSA-N 443.526 5.744 30 10 IKEE N#Cc1cnn(-c2cc(F)cc(F)c2)c1NC(=O)/C(=C\c1ccccc1)c1ccccc1 1873684868 QQDJDIHJZKSNKF-KSEXSDGBSA-N 426.426 5.201 30 10 IKEE Oc1ccccc1/C=N/n1c(CCCOc2ccccc2)nnc1SCc1ccccc1 1874317163 ZCTQNNNVNQRAJA-NLRVBDNBSA-N 444.560 5.170 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccc(C)c(C)c3)n2/N=C/c2cccs2)c1 1874319370 NLNBWQMIVUFQTN-AFUMVMLFSA-N 448.617 6.018 30 10 IKEE CCCCOc1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCCC)cc1 1874381527 XVPPCAAMXVSSKS-KOEQRZSOSA-N 426.561 5.571 30 10 IKEE Fc1ccccc1/C=N/n1c(CCc2ccccc2)nnc1SCc1ccccc1F 1874402470 BUHALKZVSPOUOE-JVWAILMASA-N 434.515 5.516 30 10 IKEE Cc1cccc(CSc2nnc(-c3cccs3)n2/N=C/c2ccc(N(C)C)cc2)c1 1874422201 ZQFCPSQLEOEHJH-BUVRLJJBSA-N 433.606 5.556 30 10 IKEE Clc1cccc(/C=N/n2c(SCc3ccccc3Cl)nnc2[C@@H]2CCCO2)c1 1874446030 QUTYSHRENJHJJD-KCDOPAPYSA-N 433.364 5.611 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1ccc(OCC)c(OC)c1 1874475583 ICFHYMWBOXOTEF-PCLIKHOPSA-N 438.597 5.511 30 10 IKEE CCCc1nnc(SCc2ccccc2C)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874504932 IZILULXRUFJHFT-FSJBWODESA-N 430.961 5.081 30 10 IKEE Cc1cccc(CSc2nncn2/N=C/c2ccc(OCc3ccccc3Cl)cc2)c1 1874536390 AYCKAOCKSSCORV-MZJWZYIUSA-N 448.979 5.993 30 10 IKEE CSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1/N=C/c1sccc1C 1874540022 DUVZDKYTVKXVIA-SRZZPIQSSA-N 441.409 5.571 30 10 IKEE C=C(C)COc1c(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc(Br)cc1OC 1874573122 WWJYHDJMAUDFRF-SOFGYWHQSA-N 447.325 5.326 30 10 IKEE COc1ccccc1C(=O)/C=C/c1c(OCc2cccc3ccccc23)ccc2ccccc12 1874577167 ZHJYAWPZBVJUOL-VHEBQXMUSA-N 444.530 7.477 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1OC 1874602892 FUOXZQFOJBTFNT-JXMROGBWSA-N 443.326 6.486 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OCc1ccc(Cl)cc1 1874602910 GHSNQUTXNHZAFM-RIYZIHGNSA-N 432.947 6.703 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3c(C)cccc3C)c(OC)c2)cc1 1874605417 YXTOGMOZPXHJRS-RVDMUPIBSA-N 443.543 5.788 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2Cl)cc1 1874616381 WWLNOLFYUUPWFI-RIYZIHGNSA-N 433.935 6.124 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OCC(=O)Nc1ccccc1F 1874625463 GRNVVOAIHBHRSJ-NTUHNPAUSA-N 437.442 5.277 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OCC(=O)Nc1ccccc1 1874631894 ZXCQQMCIBPEUAA-ZRDIBKRKSA-N 449.934 5.879 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3sccc3C)c2)cc1Cl 1874716745 HZFVMKSTVYTJKY-QPJJXVBHSA-N 442.920 5.842 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3sccc3C)c2)c(OC)c1OC 1874717461 VIYOWPDMCOKZEM-CSKARUKUSA-N 438.501 5.198 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(OCCC)cc2)CSc2nnc(CC)n21 1874838290 MHTOJAWPBCBQIF-OAQYLSRUSA-N 444.645 5.692 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccncc3)c(Br)c2)cc1 1875100460 FWYOHIOYUOSOJJ-WEVVVXLNSA-N 436.305 5.522 30 10 IKEE CCCCC(=O)Oc1c(OCC)cc(/C=C/C(=O)c2ccccc2Cl)cc1[N+](=O)[O-] 1875112057 RYWQWECIFOKZKH-VAWYXSNFSA-N 431.872 5.639 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCSC)c(OCC)c2)cc1 1875130695 OCPVOSPOQUSWTJ-RIYZIHGNSA-N 428.550 5.429 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2OC)CC1 1875136360 LGGKLDOUAWFRQQ-GZTJUZNOSA-N 434.576 6.802 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2Cl)c1 1875139686 VEEGEHSIAAHVKI-ZRDIBKRKSA-N 434.919 6.471 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OC(=O)c1cc(C)cc(C)c1 1875156416 ZKFXMDXURIQNTP-ACCUITESSA-N 436.507 6.581 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3Br)cc2)cc1C 1875176170 ZNCHISMNAYIIBR-GXDHUFHOSA-N 435.317 6.181 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)[C@H]1CCCO1 1875181507 JTDRLKOMZXEXJY-AQKVLALTSA-N 428.912 5.254 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)c1cncc(C)c1 1875181809 YPZZUBGSFYVTKA-VOTSOKGWSA-N 449.934 6.093 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C(C)(C)C)ccc3C)cc2)c1 1875184457 CPGMERYNVKCRLS-FOWTUZBSSA-N 428.528 6.416 30 10 IKEE CCCC[Sn](CCCC)(CCCC)c1c(Cl)cccc1C#N 1880854311 WFMXXUKFMMDOTE-UHFFFAOYSA-N 426.620 6.268 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCOC[C@H]1C(F)(F)F 1916556440 XIZXLPCINCRRAR-PBHICJAKSA-N 449.267 5.052 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](O)c1ccc(Br)cc1Cl 1922056762 ZKYUWKZGYVWIJE-SFTDATJTSA-N 438.793 5.277 30 10 IKEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@]1(C#N)CCN(Cc2ccccc2)CC12CCC2 1949313908 YNDMWAQXDADIBN-QFIPXVFZSA-N 437.506 5.124 30 10 IKEE CCC#CC[C@H](NCCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2005883706 PIUWHFZWFZEWHQ-OZXSUGGESA-N 428.617 5.002 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc([C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccccc2)c1 2027943553 ZKMPQDQSLVQQPL-RUZDIDTESA-N 437.540 6.214 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(Cl)cccc1Br 2028852876 UDVZRRVGRNUGEQ-WBVHZDCISA-N 429.786 5.060 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@](C)(C#N)[C@@H]1CCCSC1 2029444612 VKEAMUOXHAEXLO-KUHUBIRLSA-N 425.392 5.616 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@@]1(C#N)C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2033849466 XMQMVLJDMRCZGA-MWZSMPGESA-N 435.543 5.657 30 10 IKEE C=C1CCC(C[C@@H](C[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)NCCC)CC1 2035459050 YVROVDBGCSNWCF-LOSJGSFVSA-N 444.660 5.991 30 10 IKEE CN1C(=CC(=O)CSc2ncc(C(F)(F)F)cc2Cl)C(C)(C)c2ccccc21 2040420157 UHDCKBCKUYYEMY-UHFFFAOYSA-N 426.891 5.727 30 10 IKEE C=CCn1c2ccccc2n2nc(C)c(C(=O)C=Cc3cccc(OC)c3OC(F)F)c12 2040488472 RNWBLEPZCCOALG-UHFFFAOYSA-N 437.446 5.290 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCN(Cc2ccccc2)CC1 2042390052 BYNQRFIOQFZFKB-AREMUKBSSA-N 435.568 5.385 30 10 IKEE CC(C)(C)OC(=O)N1CCC(C[C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)CC1 2045575181 OCTFABKPBFCNOJ-FQEVSTJZSA-N 447.551 5.497 30 10 IKEE Cc1cc(O)c([C@H](C(C)C)n2nc(C(C)C)c(C#N)c2I)cc1C 2079958751 RBNVOPZBRYLUFN-SFHVURJKSA-N 437.325 5.051 30 10 IKEE COc1ccc([C@@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C2(C)CC2)c(F)c1 2080064690 WMPMIUHLOUNVFZ-QGZVFWFLSA-N 436.325 5.042 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@@]2(C#N)Nc2cccc(Br)c2)C1 2156250027 FBSVDBCRJATUJR-RTWAWAEBSA-N 434.378 5.325 30 10 IKEE CC(C)(C)OC(=O)N1CCc2c(cccc2Nc2ccc(C#N)cc2Br)C1 2162419976 ORLYFLQGBPDDSP-UHFFFAOYSA-N 428.330 5.358 30 10 IKEE Cc1cc(Br)c(C(=O)N(C)C2(C#N)CCCC2)cc1NC(=O)OC(C)(C)C 2181048941 VDEIAOKKRPWABE-UHFFFAOYSA-N 436.350 5.013 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCCC)c2ccc(Br)c(C)c2)C1 2192083468 MDSIQXARAVKTOO-IBGZPJMESA-N 437.422 5.659 30 10 IKEE Cc1ccc(NC(=O)c2ccc(Br)cc2NC(=O)OC(C)(C)C)cc1C#N 2199373629 NVBNJJLZIAMUJK-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE CC(C)(C)C#C[C@@H](N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2218465630 ILCDVAJXCKIOGR-SHQCIBLASA-N 429.560 5.255 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1sc(C)c(C)c1Br 2221817355 GGCJLYUWOYJAHO-ZBFHGGJFSA-N 431.440 5.638 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCC[C@H]2Nc2ccc(C#N)c(Br)c2)C1 2233766064 WUPFOYDUNKVYRP-KVSKMBFKSA-N 434.378 5.158 30 10 IKEE CC[C@H]1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)C#Cc2ccccc2Br)CC1 2235718642 DOOVKYLRUFAMCW-CIEDQVTBSA-N 434.374 5.233 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)C[C@@H](NC(=O)OC(C)(C)C)C(C)C 2235748337 YHQQUKYTXATTEG-UYAOXDASSA-N 437.422 5.108 30 10 IKEE CCCN[C@H](C#CC1CCCC1)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2251415723 YYMQPJCDYFYMTG-RPWUZVMVSA-N 428.617 5.048 30 10 IKEE C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1Cl 2255770504 QPKLCCQVYCBTGV-QGZVFWFLSA-N 439.792 5.080 30 10 IKEE C=C(C)CCCC[C@@H](NCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2271839937 WXSJHSWUGFRETM-MUUNZHRXSA-N 443.631 7.632 30 10 IKEE CC[C@H](C(=O)Nc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1)c1ccccc1 2313944571 ZPJGJHMCIRXURS-QHCPKHFHSA-N 448.360 6.478 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCC(=O)c4ccc(Br)cc4)ccc3C2=O)c1 2314437319 JBJMSHIZTIIVHU-UHFFFAOYSA-N 449.300 5.635 30 10 IKEE CN1C(=O)C(=Cc2ccccc2OCc2ccccc2Cl)SC1=Nc1cccnc1 2314541581 OCMIFFRBHSMYSY-UHFFFAOYSA-N 435.936 5.548 30 10 IKEE Cc1ccc(-c2ccc(C=C3SC(=Nc4c(C)cccc4O)NC3=O)o2)c([N+](=O)[O-])c1 2314556925 CFHUTLDZURBLJF-UHFFFAOYSA-N 435.461 5.069 30 10 IKEE COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OC(=O)C=Cc1ccc(Cl)cc1 2314716692 GMCIHNFNBBXBMJ-UHFFFAOYSA-N 444.870 5.430 30 10 IKEE Cc1ccc(COc2ccc(C=Nn3cnnc3SCc3cccc(F)c3)cc2)cc1 2321257119 IJBQDGWKDAPOIC-UHFFFAOYSA-N 432.524 5.479 30 10 IKEE Cc1c(OCc2ccccc2Cl)ccc2c1OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2321762287 NQFALLSNLCKKME-UHFFFAOYSA-N 445.729 7.150 30 10 IKEE CCOc1ccc(Cc2nnc(S)n2N=Cc2cccc(Oc3ccccc3)c2)cc1 2322083217 LESJHXIGQVGDNE-UHFFFAOYSA-N 430.533 5.231 30 10 IKEE COc1ccc(OCc2nnc(S)n2N=Cc2c(F)cccc2Cl)c(C(C)(C)C)c1 2322284223 ZLISNBQKRCZWGX-UHFFFAOYSA-N 448.951 5.127 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2cccc(Cl)c2)c1OCc1ccccc1Cl 2322524950 LPYJAKJSCAIPFS-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C)cc2)c1OCC(=O)Nc1c(C)cccc1C 2322601456 YOLXEQGOWRJHHW-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE CCN(CC)C(=O)COc1ccc(Br)cc1C=CC(=O)c1cc(C)ccc1C 2322615693 LHQULWAAOMAGOL-UHFFFAOYSA-N 444.369 5.209 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccccc2OCC(=O)Nc2cccc(C)c2C)c1 2322659572 UUDRCUZAAOCSEW-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE CCCOc1c(C=CC(=O)c2ccc(OC)c(Cl)c2)cc(Br)cc1OC 2322977940 XKZCQBGMBPFNPT-UHFFFAOYSA-N 439.733 5.805 30 10 IKEE COc1ccccc1C=C1Oc2cc(OC(=O)C=Cc3ccc(F)cc3)cc(C)c2C1=O 2323044308 HPVYNEZTRYYSMX-UHFFFAOYSA-N 430.431 5.378 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1OCc1ccc([N+](=O)[O-])cc1 2323053087 XOKAPQPQVOEIAY-UHFFFAOYSA-N 443.499 5.957 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2cccc(OCC(=O)N[C@H](C)c3ccccc3)c2)c1C 2323259509 QNVSSMBOAPNLKG-HSZRJFAPSA-N 441.571 6.073 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)C=Cc4ccc(C(C)C)cc4)c3C)C2=O)cc1 2323504199 VLKVXCQKIXUJNE-UHFFFAOYSA-N 438.523 6.662 30 10 IKEE Sc1nnc(Cc2ccccc2)n1N=Cc1cccc(OCc2ccc(Cl)cc2)c1 2323511280 JBNTYASYLOWIAK-UHFFFAOYSA-N 434.952 5.272 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(Cl)c1OCc1cccc(Cl)c1 2323602013 ROCGRFZCHBKIAS-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c(C)c1 2323674725 VNHPBCNCOMOQBQ-UHFFFAOYSA-N 430.460 5.125 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Cl)c1OCc1cccc(C)c1 2323975072 YGFHCXHLPCSLIT-UHFFFAOYSA-N 438.926 6.970 30 10 IKEE Cc1cc(O)c(CN2C[C@@H](C)C[C@H](C)C2)c2c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O2 2324054993 AWIBRYLFRZAKOY-KBPBESRZSA-N 446.374 6.102 30 10 IKEE Cc1cc(O)c(CN(C)C2CCCCC2)c2c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O2 2324077324 LLNKUJUAHLRWJV-UHFFFAOYSA-N 433.592 6.379 30 10 IKEE Cc1c(O[C@H](C)C(=O)OC(C)C)ccc2c1OC(=Cc1ccc(Cl)cc1Cl)C2=O 2324305502 UMMACWQLNJXKKH-CYBMUJFWSA-N 435.303 5.637 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1 2324451644 JBNVGBNIWXLUQD-MRXNPFEDSA-N 447.462 5.165 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4cc(C)ccc4C)ccc3C2=O)cc1 2324455718 MCDWOGADGSZIIC-IBGZPJMESA-N 427.500 5.634 30 10 IKEE COc1ccc(OCCCOc2ccc3c(c2C)OC(=Cc2cccc(F)c2)C3=O)cc1 2324706170 UCMDKFUCCIKEGA-UHFFFAOYSA-N 434.463 5.607 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCc3cccc(C(=O)OC)c3)ccc2C1=O 2324745092 LJXLAHOVOALIFE-UHFFFAOYSA-N 430.456 5.067 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@@H](C#N)C(=O)C=Cc2ccccc2Cl)n1 2324774029 NLZZKQCMWZYOCG-INIZCTEOSA-N 443.355 6.324 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1cc(C)c2c(c1)OC(=Cc1ccc(C)o1)C2=O 2325098461 IULIFJMXJPSBGN-HXUWFJFHSA-N 426.509 5.794 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1cccc(OCC)c1 2325535290 GFQHYANVHVYDFN-UHFFFAOYSA-N 428.989 5.847 30 10 IKEE Cc1c(OCC(=O)Nc2ccccc2Cl)ccc2c1OC(=Cc1cccs1)C2=O 2325718186 VMCPJBWHFMYLSH-UHFFFAOYSA-N 425.893 5.344 30 10 IKEE O=C(Oc1cccc(C=CC(=O)c2ccc(F)cc2F)c1)c1ccc(Br)cc1 2325726214 BDYHFTNVWKRDJD-UHFFFAOYSA-N 443.243 5.843 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1OC(=O)c1ccccc1 2325772536 QDPLOUWAEYAKNY-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE CSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1ccccc1Cl 2325906937 IRWNJVOZYQOLLV-UHFFFAOYSA-N 427.744 5.421 30 10 IKEE C=CCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccccc1C(=O)O 2326619136 OZQPGWXJVQTGPK-UHFFFAOYSA-N 442.544 5.075 30 10 IKEE CSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(Cl)c(Cl)c1 2327702814 PGHQVWQUPJULTQ-UHFFFAOYSA-N 427.360 5.933 30 10 IKEE CCCCC1CCC(c2nnc(SC)n2N=Cc2ccc(OCC)c(OCC)c2)CC1 2328106706 BLOQMHWLUJQADX-UHFFFAOYSA-N 444.645 6.144 30 10 IKEE Cc1ccc(OCc2nnc(SCCc3ccccc3)n2N=Cc2cccnc2)c(C)c1 2328902397 RCSWKLXCNNCFNJ-UHFFFAOYSA-N 443.576 5.086 30 10 IKEE Cc1ccc(C=Nn2c(CCOc3ccccc3)nnc2SCc2ccccc2C)cc1 2329157089 ZHNYNYDSRAWUNN-UHFFFAOYSA-N 442.588 5.691 30 10 IKEE Cc1ccc(CSc2nnc([C@H](C)c3ccccc3)n2N=Cc2ccccc2O)cc1 2330050134 DJCNUHCMMLXCDS-LJQANCHMSA-N 428.561 5.618 30 10 IKEE CCSc1nnc(Cc2ccccc2)n1N=Cc1ccc(OCc2ccc(C)cc2)cc1 2330478093 PWSGCLRVAAVECR-UHFFFAOYSA-N 442.588 5.751 30 10 IKEE Fc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2-c2cccs2)c(F)c1 2330603547 DZWGVDPKGQXKKP-UHFFFAOYSA-N 446.935 6.113 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccccc2)n1N=Cc1ccc(C(C)(C)C)cc1 2330636299 RRHWHNXUVHUATO-UHFFFAOYSA-N 440.616 6.726 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2cccnc2)cc1Cl 2330692968 LYZMKTAVORPAQL-UHFFFAOYSA-N 440.359 5.821 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)cc3F)c(OC)c2)c1 2330799811 GFNWLQHZJJKMSZ-UHFFFAOYSA-N 438.426 5.026 30 10 IKEE Cc1ccc(CSc2nnc(CC(C)(C)C)n2N=Cc2cccc3ccccc23)cc1 2330804366 BMMKPFSFVAHYFA-UHFFFAOYSA-N 428.605 6.503 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3sccc3C)c(Cl)c2)cc1 2330832785 RZJOAFZGEOOIIR-UHFFFAOYSA-N 438.976 7.168 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)c1cccs1 2331156148 WFKZRKNDUQMMRR-UHFFFAOYSA-N 438.932 6.254 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc(Cl)c2)c(Br)c1)c1ccccc1 2331169188 HDPXAUBUWHZLLF-UHFFFAOYSA-N 441.708 6.218 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)c1ccccc1Cl 2331231415 WOJMZEYXJBHFQE-UHFFFAOYSA-N 434.919 6.471 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(F)c(F)c1F 2331293441 LTHURJDIUXUNHF-UHFFFAOYSA-N 426.390 5.536 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)CC(C)(C)C)c(OC)c2)cc1 2331300600 VLAARTGXSSXWDV-UHFFFAOYSA-N 440.536 5.730 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccccc3F)nnc2C(C)(C)C)cc1OC 2331396654 ZWPFUJDTUPSFKE-UHFFFAOYSA-N 442.560 5.297 30 10 IKEE CCOc1c(C=Nn2c(CC(C)C)nnc2SCc2cccc(F)c2)cccc1OC 2331443852 FMZAEGIFDIWXCB-UHFFFAOYSA-N 442.560 5.198 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(F)c3)c([N+](=O)[O-])c2)cc1 2331498442 QOWBZWNVPATCDS-UHFFFAOYSA-N 433.435 5.973 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CCC2)cc1OC 2331539617 VQBQRCAGDSEZGX-UHFFFAOYSA-N 442.972 5.391 30 10 IKEE C=C(C)CSc1nnc(COC)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2331571732 FUIVFWCCXMJWAH-UHFFFAOYSA-N 442.972 5.207 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3cncc(C)c3)cc2)cc1C(C)C 2331573831 YTUDBGQDHNQEPF-UHFFFAOYSA-N 429.516 5.946 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(Oc4ccccc4)cc3)cc2)cc1 2331592054 BSBRYCMHDIVUAW-UHFFFAOYSA-N 448.518 6.832 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(C=CC(=O)c3cc(Cl)ccc3Cl)cc2)c1 2331859746 XPNGGEYXSSPIRS-UHFFFAOYSA-N 425.311 6.726 30 10 IKEE COC1(C#C[C@H](N)c2cc(NC(=O)OC(C)(C)C)ccc2Br)CCCCC1 2363630372 UILWZCOJBWOWNH-SFHVURJKSA-N 437.378 5.149 30 10 IKEE CC(C)(C)OC(=O)N[C@]1(C)C[C@H]2CC[C@H]1C[C@@H]2Nc1ccc(C#N)cc1Br 2380855857 KZDRCPYABQIFJP-ZUEQLIKTSA-N 434.378 5.205 30 10 IKEE CSc1ccc([C@@H]2[C@@H](C(=O)C(C)(C)C)N3C=Cc4ccccc4[C@H]3C2(C#N)C#N)cc1 706155 LHQXQIFPZWYZJA-VJBWXMMDSA-N 427.573 5.551 30 10 IKEE COc1ccc(-n2c(S[C@@H](C)C(=O)Nc3ccccc3C#N)nc3ccccc32)cc1 9966776 ZSFGQSFMEYUDPX-INIZCTEOSA-N 428.517 5.025 30 10 IKEE Cc1cc(C)nc(N/C(=N\C(=O)Nc2ccc(Cl)c(Cl)c2)N2CCC[C@H](C)C2)n1 14160324 RBHQSKBOOSSNDU-LBPRGKRZSA-N 435.359 5.132 30 10 IKEE O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@@H](c1cccc(Cl)c1)n1c(nc3ccccc31)N2 19639386 SMURECQRWXPXIP-CRICUBBOSA-N 443.909 6.245 30 10 IKEE O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@H](c1cccc(Cl)c1)n1c(nc3ccccc31)N2 19639393 SMURECQRWXPXIP-GKVSMKOHSA-N 443.909 6.245 30 10 IKEE C/C(=C1/S/C(=N/c2cccc(C(=O)O)c2)N(C2CCCCC2)C1=O)c1ccc(C)c(C)c1 39866880 XSWFBCUUSNIRIG-KKCWGVMOSA-N 448.588 6.328 30 10 IKEE C=CCc1ccc(OCCCn2c(-c3ccc(OC)cc3)nc3ccccc32)c(OC)c1 40249751 YSZHZPKWVBGIFJ-UHFFFAOYSA-N 428.532 5.918 30 10 IKEE C[C@@H](Sc1nc2c(n1-c1ccccc1)CCCC2)C(=O)N(CCC#N)c1ccccc1 60386102 YVTDSNMXIBPHMA-LJQANCHMSA-N 430.577 5.179 30 10 IKEE COc1ccc(-c2nc(SC)nc(Nc3ccccc3C(F)(F)F)c2C#N)cc1OC 62039797 NTYDUQKBZIADPC-UHFFFAOYSA-N 446.454 5.517 30 10 IKEE C/C=C\Oc1ccc(C(=O)/C(=C\c2ccc(C(=O)OC)cc2)c2nc3ccccc3o2)cc1 98037242 MQZYHEQYODWQPD-GHOCPNTHSA-N 439.467 5.950 30 10 IKEE CCCCCCCOc1ccc(NCC(=O)Nc2ccc(C(=O)OCCC)cc2)cc1 100077223 FWZRMJNIUCVFAS-UHFFFAOYSA-N 426.557 5.653 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c(Cl)cccc1Cl)N2 100371052 XTSJLIXIXIFJGB-MPCDZSKCSA-N 430.419 8.169 30 10 IKEE CC(=O)/C(=N/Nc1ccc(Cl)cc1)Sc1nnc(-c2ccccc2)n1-c1ccccc1 100519428 LIWPNFVMJZMRDJ-QYQHSDTDSA-N 447.951 5.694 30 10 IKEE O=C1/C(=C\c2ccc(Br)o2)S/C(=N/c2nccs2)N1c1ccccc1 101087698 RFQDOMVQPXLCFB-CWMXYSJUSA-N 432.324 5.307 30 10 IKEE CCCCCCCCCCCCn1c(CCCNC(=O)c2cccnc2)nc2ccccc21 102103443 RFGFILAXXZBUMR-UHFFFAOYSA-N 448.655 6.715 30 10 IKEE C=CC(=O)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 116463298 XUNWCGDISVMVOS-UHFFFAOYSA-N 440.102 5.047 30 10 IKEE COc1cc(/C=N/Nc2ccc(C)c(C)c2)ccc1OCc1c(Cl)cccc1Cl 169876642 DEXHIQUJWQLYEZ-LGJNPRDNSA-N 429.347 6.644 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccnc1 170009400 QNWMODSEGJRRAO-JOCHJYFZSA-N 444.874 5.573 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2cccc(C)c2)c1 170035787 QSJNXGFAMJQUAL-HSZRJFAPSA-N 447.918 5.830 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccccc2)cc1C 170048785 APCIVSSPRLKYGJ-VWLOTQADSA-N 425.528 6.210 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(Cl)cc1 170057196 BNIDPHFWGVKPTQ-QHCPKHFHSA-N 449.934 5.497 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2cccc(O)c2)cc1 170079399 IPKXLMUIHBKBDU-RUZDIDTESA-N 441.527 5.861 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2Cc2cccs2)c1 170139218 UUHXFRMGMPZJMO-XMMPIXPASA-N 439.536 5.988 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccncc1)c1ccc2ccccc2c1 170198303 BQKGIZLHZGCZIQ-QFIPXVFZSA-N 426.497 5.075 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@@H]1c1ccccc1 170225764 MIYQSWQOUAURJE-XMMPIXPASA-N 441.527 5.712 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc(O)c2)ccc1OC(C)C 170261949 KOMZSLBRLRIWNK-DEOSSOPVSA-N 449.547 5.399 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccc2C)cc1C 170271580 YHHSSBNKVPDOPK-XMMPIXPASA-N 427.500 5.403 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccco2)cc1 170280998 SECPKSGYWJINEE-NRFANRHFSA-N 432.432 5.094 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1sccc1C 170314443 IUXVHEGWVHHWKC-HXUWFJFHSA-N 437.492 5.296 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1cccc(OCCC)c1 170323256 JYMKFPCRIDBYSH-QHCPKHFHSA-N 432.520 5.335 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 170346344 DFKZBXQRDIDIHV-QHCPKHFHSA-N 437.499 5.034 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cccc(OC(F)(F)F)c2)c1 170458408 SYKVRFIDFNGOQR-GOSISDBHSA-N 433.426 5.409 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@H]2c2ccc(OC(C)C)cc2)cc1 170473697 VYEMINQFJLOSLD-XMMPIXPASA-N 437.536 5.388 30 10 IKEE COc1cc(C=Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc(Cl)c1O 254401727 APIQWYQWALTPTD-UHFFFAOYSA-N 428.875 6.603 30 10 IKEE COc1ccc(-c2oc(N=C/C(C)=C/c3ccccc3)c(C#N)c2-c2ccc(OC)cc2)cc1 263628417 QEHAEJLYBIUBNS-IPIZXHPXSA-N 448.522 7.308 30 10 IKEE CC(C)COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccccn2)cc1 526487615 CXEYPBWGSNLICF-XMMPIXPASA-N 425.488 5.045 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccc(OC)c(OC)c1 526817368 ULSNHDNTYMZAPN-OYKKKHCWSA-N 444.988 5.466 30 10 IKEE CCCOc1c(Cl)cc(/C=N\n2cnnc2SCc2ccc(C#N)cc2)cc1Cl 526823056 QULURUMLPVXGQU-GATIEOLUSA-N 446.363 5.420 30 10 IKEE CCCCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1/N=C\c1ccccc1C 526830874 CLZBRJZQCGQEJA-OYKKKHCWSA-N 440.569 5.262 30 10 IKEE N#Cc1cccc(CN(C(c2ccccc2)c2ccccc2)S(=O)(=O)c2ccccc2)c1 586114923 AJQZWDXFEHQPOC-UHFFFAOYSA-N 438.552 5.539 30 10 IKEE N#Cc1ccc(CN(c2ccc(C(F)(F)F)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 586204959 ASTXDUAWLHPWKP-UHFFFAOYSA-N 434.414 5.112 30 10 IKEE N#CCCCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586244119 SNHRLDSOLDJCEU-UHFFFAOYSA-N 437.270 5.511 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1 698439724 AXBHXLYYUGTQTF-OSPHWJPCSA-N 445.560 5.118 30 10 IKEE CC(C)[C@@H]1CCCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 698460252 YRLFJSIQTIQWQU-JTSKRJEESA-N 435.406 6.689 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 710715743 HKFXQAJDFWNCQH-FDDCHVKYSA-N 449.979 5.763 30 10 IKEE C=CCC1([C@@H](NCC)c2ccc(Br)c(F)c2F)CN(C(=O)OC(C)(C)C)C1 722937245 AABMLCDJRPAMFO-KRWDZBQOSA-N 445.348 5.191 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCC[C@H](NC(=O)OC(C)(C)C)C2)cc1 724029067 PDAGDUFSLCDYNJ-MHECFPHRSA-N 429.561 5.466 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CC[C@H](CNC(=O)OC(C)(C)C)C2)c1 724070741 VPOUTXDWOXYGDW-XDHUDOTRSA-N 445.560 5.024 30 10 IKEE Cc1c(Cc2ccccc2)sc(N=Cc2c3ccccc3cc3ccccc23)c1C(N)=O 1084251825 RWKBUCOTRJBBGB-UHFFFAOYSA-N 434.564 6.803 30 10 IKEE COc1ccc(/C=N/NC2=N[C@H](c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)[CH]S2)cc1 1615012213 BCWIMKRIGVSCDW-WMPMWDHYSA-N 438.617 5.925 30 10 IKEE C/C(=C1\SC(=Nc2nnc(C)s2)N(C2CCCCC2)C1=O)c1ccc([N+](=O)[O-])cc1 1772734478 CGSVOWPIBSQQQF-DBOKLQOQSA-N 443.554 5.082 30 10 IKEE N#Cc1cccc(NC(=O)Oc2cccc3c(NC(=O)c4cccnc4Cl)cccc23)c1 1858780750 QULWYFIOVRDNRR-UHFFFAOYSA-N 442.862 5.623 30 10 IKEE N#Cc1ccccc1NC(=O)Oc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 1858906218 LTEUZDIBOVCPHX-UHFFFAOYSA-N 439.393 5.118 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)/C=C/c1ccc(C(C)C)cc1 1861550174 GFGWNWYIXZDCJW-AOVJHHBVSA-N 428.661 6.365 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1cccc(F)c1)c1ccccc1Cl 1862431086 ZBTVGACYZOWTDW-IBGZPJMESA-N 427.884 5.319 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccccc2)c1 1862431551 JOIBWRJUNISCKC-QFIPXVFZSA-N 433.891 5.127 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccccc1C 1862468463 PRCBQQJRUPMLLN-LIRRHRJNSA-N 428.326 5.134 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccccc1[N+](=O)[O-] 1862492461 RYHLSRQOCSBFPN-QFIPXVFZSA-N 436.508 5.370 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCC(C)C)cc1 1862505966 HYMWFCIZYUTSAH-JOCHJYFZSA-N 425.500 5.157 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cccc(O)c1 1862506924 BWLFNLACZFGMBJ-WMZHIEFXSA-N 439.527 5.777 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccccc2C)cc1 1862507440 LNCNCABSVDBEAK-DEOSSOPVSA-N 445.490 5.230 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862594579 GORDGFPJETZASB-IQGLISFBSA-N 441.527 5.855 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CC(C)C)cc1 1862654824 SNIHXWFLWQHWPV-DEOSSOPVSA-N 429.516 5.473 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCCOC(C)C)cc1 1862660146 JECLSXWKPYQSKE-DEOSSOPVSA-N 435.564 5.512 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(C)c2)cc1 1862673668 GMFDLHCEIYWWQJ-DEOSSOPVSA-N 429.491 5.264 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1[N+](=O)[O-] 1862677092 YWDGDXZSMHFBCI-OYHNWAKOSA-N 446.434 5.073 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1cccc(O)c1 1862699532 VCNRJXUOZDSYNE-AUSIDOKSSA-N 437.536 5.338 30 10 IKEE Cc1cc(NC2=C(c3ccc(F)cc3)C(=O)N(c3ccccc3C#N)C2=O)ccc1C(C)C 1862777088 QEDCTGUQQIXYGW-UHFFFAOYSA-N 439.490 5.526 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3cccs3)C2=O)cc1 1863106526 SYMLBBOUKTYLEM-UHFFFAOYSA-N 427.529 5.314 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)cc2F)=C(c2ccccc2OC)C1=O 1863432327 YYYZOFFKIMUWBE-UHFFFAOYSA-N 442.506 5.526 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc3ccccc23)=C(c2cccs2)C1=O 1863472347 COZIWCXNPLWXCC-UHFFFAOYSA-N 432.589 6.454 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(OCc3ccccc3)cc2)=C(c2c[nH]c3ccccc23)C1=O 1863490516 BOPLVPVTIHYZQC-UHFFFAOYSA-N 449.510 5.125 30 10 IKEE Cc1ccc(C(C)(C)CCC(=O)N[C@@H](C(=O)Nc2ccccc2C#N)c2ccccc2)cc1 1866792377 QDMRQBCTPMKDLA-AREMUKBSSA-N 439.559 5.421 30 10 IKEE CCCCCCCOc1cn(CCc2c[nH]c3ccccc23)c(CSCC)cc1=O 1870251355 FCYCPSCDYRDRJM-UHFFFAOYSA-N 426.626 6.175 30 10 IKEE CCCCCCCOc1cn(CCCOCCCC)c(CN2CCC[C@H](C)C2)cc1=O 1870408917 CTVGRBQZPMMOAD-QHCPKHFHSA-N 434.665 5.636 30 10 IKEE CCCCCCCCn1cc(OCCCCCC)c(=O)cc1CNc1ccccc1C 1871125207 PUKQHUFPPOVOBN-UHFFFAOYSA-N 426.645 7.088 30 10 IKEE N#Cc1ccc(COc2cn(CCc3ccccc3)c(CNc3ccccc3)cc2=O)cc1 1871251117 OCRVJWKIHXBXTA-UHFFFAOYSA-N 435.527 5.154 30 10 IKEE CCN(CC)CCCCN1COc2c(cc3c(c2C)O/C(=C\c2cccc(F)c2)C3=O)C1 1871354909 HMHJSMIXKCBKBJ-UCQKPKSFSA-N 438.543 5.024 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc(OC(=O)c3cccc([N+](=O)[O-])c3C)c2C)C1=O 1871373407 DZISCCAIMDGZEV-ODLFYWEKSA-N 435.457 5.417 30 10 IKEE CCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871379658 IGMSBCDGLGBSNZ-DTAINRSBSA-N 430.431 5.459 30 10 IKEE O=C1/C(=C/c2c(Cl)cccc2Cl)Oc2cc(OCCCOc3ccccc3)ccc21 1871397522 WEULWXOZCMEELW-HAHDFKILSA-N 441.310 6.458 30 10 IKEE O=C1/C(=C/c2ccc(-c3ccccc3)cc2)Oc2cc(OCCCc3ccccc3)ccc21 1871399822 VFQTWPVOYSAUBF-BRPDVVIDSA-N 432.519 6.981 30 10 IKEE Cc1cccc(OCCOc2cc(C)c3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)c1 1871407984 SIJVJQHLWGVROT-XYGWBWBKSA-N 429.516 5.443 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(ccc(OCc4ccccc4C#N)c3C)C2=O)cc1 1871437449 YIVQJYORXCSWFM-QQXSKIMKSA-N 438.527 5.908 30 10 IKEE Cc1cc(C)c2nc(NC(=O)COc3ccc4c(c3)O/C(=C\c3ccco3)C4=O)sc2c1 1871446308 IJURKSPNQWFVMI-ODLFYWEKSA-N 446.484 5.140 30 10 IKEE CCCCCCCCN=c1nc(N2CCCCCC2)[nH]c(=Nc2cccc3ccccc23)[nH]1 1871729615 LDVZLVOZPICZEH-UHFFFAOYSA-N 446.643 5.765 30 10 IKEE N#C[C@H](C(=O)Cc1ccc(Cl)cc1)c1nc(-c2ccc(Br)cc2)cs1 1872765142 IKFXJTLWWJIKQQ-MRXNPFEDSA-N 431.742 5.645 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3c(C)cccc3C)n2)cc1 1872765914 ZKLJAGOQYQZSEO-HSZRJFAPSA-N 446.616 6.805 30 10 IKEE COc1cc(-c2csc([C@H](C#N)C(=O)c3ccc(N(C)C)cc3)n2)c(OC)cc1Cl 1872783333 WXEHICIVKHUREP-MRXNPFEDSA-N 441.940 5.037 30 10 IKEE Cc1nc(SCc2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2)c(C#N)c(C)c1C 1872893433 WOADUFNDOLNBCD-UHFFFAOYSA-N 439.943 6.216 30 10 IKEE Cc1cc(Cl)ccc1NC(=O)c1ccc(CSc2nc(C)c(C)c(C)c2C#N)cc1 1872895357 PHRVKXVBUYMUCE-UHFFFAOYSA-N 435.980 6.385 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCCN(CC)CC)=C(c2ccccc2C)C1=O 1873102477 VUZPDICHQHXQCJ-UHFFFAOYSA-N 441.660 5.147 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2[N+](=O)[O-])C(=O)N([C@@H]2CCCC[C@@H]2C)C1=O 1873140103 QWEAFGDLNGWMAN-AZUAARDMSA-N 441.572 5.204 30 10 IKEE N#Cc1ccccc1Nc1[nH]c(=NCCC2=CCCCC2)nc2c1cnn2-c1ccccc1 1873477026 FBHGYAKSTSNHQI-UHFFFAOYSA-N 435.535 5.155 30 10 IKEE C=CCn1c(C(=O)NCCCCC)cc2c(N(CCCC)CCCCCC)ncnc21 1873593604 SBZCGODTYRBPAB-UHFFFAOYSA-N 427.637 5.724 30 10 IKEE N#Cc1cccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCCC3)C23CCCC3)c1 1873867241 SFNLXRISVBNWIY-DEOSSOPVSA-N 427.548 5.382 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccc(OC)c(Cl)c3)c(=O)oc2c1C 1873937117 YUHKIJPQKIHPER-UHFFFAOYSA-N 441.911 5.208 30 10 IKEE Cc1ccc(CSc2nnc(CC34CC5CC(CC(C5)C3)C4)n2/N=C/c2ccco2)cc1 1874242126 PFDXJPCEVXYRBZ-JVWAILMASA-N 446.620 6.113 30 10 IKEE CCCc1ccc(OCc2nnc(SC)n2/N=C/c2c(OC)ccc3ccccc23)cc1 1874256512 FLZLOGQPJJRMAI-WGOQTCKBSA-N 446.576 5.576 30 10 IKEE Clc1ccccc1CCc1nnc(SCc2ccccc2)n1/N=C/c1cccnc1 1874278897 JEPWVIMFBPBUTJ-WGOQTCKBSA-N 433.968 5.286 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3cccc(C)c3)n2/N=C/c2ccc[nH]2)cc1 1874301791 QYKKTIHHNDKOQL-WGOQTCKBSA-N 431.565 5.079 30 10 IKEE COc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2ccc(C)cc2)cc1 1874349687 YQBMGVHQXUWOAN-ZXVVBBHZSA-N 442.588 5.403 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2cccc(O)c2)cc1C 1874359623 QGBHBOOJVWHRND-OVVQPSECSA-N 442.588 5.408 30 10 IKEE CCc1ccc(/C=N/n2c(COc3ccccc3)nnc2SCc2cccc(F)c2)cc1 1874383223 FQVHWPZJNQRFHR-JVWAILMASA-N 446.551 5.733 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2[C@H](C)c2ccccc2)c1 1874399446 POBSRLOVVXQRPC-BWJYWGHISA-N 447.007 6.566 30 10 IKEE Fc1cccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccc(Cl)cc2)c1 1874408900 VLKOZFBJCTUZEP-CVKSISIWSA-N 442.991 6.368 30 10 IKEE COc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2c(F)cccc2Cl)cc1 1874442327 YWSWXWCOSSSFRM-DHRITJCHSA-N 446.979 5.842 30 10 IKEE Cc1ccsc1/C=N/n1c(SCc2ccc([N+](=O)[O-])cc2)nnc1C1CCCC1 1874454252 IFHWADSQNKKDKA-CIAFOILYSA-N 427.555 5.388 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2C2CCCC2)cc1 1874455934 RAHIIYQQSSTUHI-WPWMEQJKSA-N 448.636 6.516 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2cccc3ccccc23)nnc1C1CCCC1 1874456811 MBJFUYMYPGECLD-WPWMEQJKSA-N 426.589 6.572 30 10 IKEE COc1cc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccco2)ccc1OC(C)C 1874466338 GEYIMKJUCVTUMM-MFKUBSTISA-N 448.548 5.508 30 10 IKEE COCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(C(C)C)cc1 1874473683 RBQLDRDRYPKKAI-WPWMEQJKSA-N 444.604 5.918 30 10 IKEE Cc1ccccc1NC(=O)CSc1nnc(CC(C)C)n1/N=C/c1ccc(Cl)cc1 1874488328 QSTOPSRNXGIZNK-ZMOGYAJESA-N 441.988 5.051 30 10 IKEE CC(C)Cc1nnc(SCc2ccccc2)n1/N=C/c1ccc(Br)cc1 1874489762 JLOIWHJGSXUFMG-LPYMAVHISA-N 429.387 5.414 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(OCC)cc1 1874508520 IJGCGMCKEXFNJQ-YZSQISJMSA-N 430.577 5.957 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(SCc2ccccc2Cl)nnc1C1CC1 1874519793 MAWYMSSXEAFLQV-ZMOGYAJESA-N 426.973 5.771 30 10 IKEE CCCCOc1ccc(/C=N/n2cnnc2SCc2cccc(Cl)c2)cc1OC 1874540629 SUCFSJUBERQYBY-ZMOGYAJESA-N 430.961 5.294 30 10 IKEE COC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1cccc(Br)c1 1874575794 GYNZYEJUYWXUBI-ZHACJKMWSA-N 425.278 5.050 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccccc2)c1OCC(=O)Nc1ccccc1F 1874578515 ROAPXXHXZDATEG-VAWYXSNFSA-N 439.870 5.401 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OCc2cccc3ccccc23)c1 1874600213 ZPQQBCRODKHSEB-FBMGVBCBSA-N 434.579 7.921 30 10 IKEE C[C@@H](NC(=O)COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1Cl)c1ccccc1 1874625295 WJTHQHUEMRBOJX-SDSFWRRZSA-N 437.898 5.631 30 10 IKEE C=C(C)COc1ccc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc1Br 1874627593 WBZBTJBRNMPHET-VQHVLOKHSA-N 443.381 6.741 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(OCC(C)C)cc3)c2)cc1F 1874707080 NHLJSBZPEITAIG-NTUHNPAUSA-N 448.490 5.984 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCCOc3cccc(C)c3)c2)cc1F 1874707174 SAAPEUUROOTHCB-ACCUITESSA-N 448.490 5.803 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1OC(=O)C(C)(C)C 1874712678 LCPLXJQHMFDMHS-MHWRWJLKSA-N 430.500 6.335 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1OC(=O)Cc1ccc(F)cc1 1874712824 SKHCVPFQOAWDDO-KPKJPENVSA-N 448.490 5.504 30 10 IKEE O=C(CC12CC3CC(CC(C3)C1)C2)Oc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1 1875084931 HUNJVPHKLZBELY-RMKNXTFCSA-N 445.515 6.003 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1Br 1875095633 ZQNIOFNWFOCSKF-UKTHLTGXSA-N 437.333 6.594 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1ccc(F)c(F)c1 1875095847 KMAJUEABJYFYAG-WUXMJOGZSA-N 444.433 6.242 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)c(F)c3F)cc2)cc1 1875105815 OAXUYCDGBPCGJU-CXUHLZMHSA-N 438.445 6.562 30 10 IKEE C[C@@H](C(=O)Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1[N+](=O)[O-])c1ccccc1 1875113202 AUIKAWZQFWLZSG-SICOMBFOSA-N 435.863 5.853 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OC(=O)COc1ccccc1 1875127232 UJEBKCOYFGXCEQ-BUHFOSPRSA-N 436.891 5.619 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3OC)c(OCC)c2)cc1 1875130380 FYPYGMWOAGHYSC-MHWRWJLKSA-N 446.499 5.608 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OCC)cc2)cc1OC 1875131437 YLFIJYDNEUWVKE-LDADJPATSA-N 438.564 6.646 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3C)c([N+](=O)[O-])c2)cc1 1875138194 IYEAJYOJRYCFLE-RIYZIHGNSA-N 445.471 5.807 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)c1 1875145526 LPDJRRCYFCPDMO-FOWTUZBSSA-N 438.479 5.972 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1ccccc1OC 1875157424 YDPBUOMFDKCJPU-OQLLNIDSSA-N 430.500 5.943 30 10 IKEE O=C(CSc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 1875160079 ZFIPTUDXLZGXHA-WUXMJOGZSA-N 437.448 5.328 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)ccc1OC(=O)c1cccnc1 1875179879 FULNHOCAYCWBCN-SOFGYWHQSA-N 437.879 5.176 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N1CCCCC1)n2CC(C)C 1875210280 RTNJWUYYEUWNMY-UHFFFAOYSA-N 441.664 6.266 30 10 IKEE Cc1ccc(Oc2cccc(C(=O)N3CCC(CN(C)c4ncccc4C#N)CC3)c2)cc1 1891387369 LXFYHFSZBHIBJH-UHFFFAOYSA-N 440.547 5.043 30 10 IKEE N#CC1(c2ccc(C(=O)Nc3ccc(OCc4ccc(Cl)cc4Cl)cc3)cc2)CC1 1892409943 GLCBWMOCIOQBFQ-UHFFFAOYSA-N 437.326 6.380 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC[C@H](CCNC(=O)OC(C)(C)C)C(C)C)NCC 1922108148 RJMRRJAHORKYLY-RPWUZVMVSA-N 432.649 5.705 30 10 IKEE CC(C)(C)OC(=O)N(CCNc1ccc(C#N)cc1Br)OCc1ccccc1 1955808835 KIDUDVCTBVVPQR-UHFFFAOYSA-N 446.345 5.102 30 10 IKEE CC1(C)OB(c2cc(F)ccc2CN(CCC(F)(F)F)Cc2ccccc2)OC1(C)C 2034722456 ZXVPTNRBLSGKBQ-UHFFFAOYSA-N 437.286 5.080 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)CC[C@H](C)C[C@@H]1OCc1ccccc1 2043824395 NHVMBKCEUQVTAQ-ACNFANBVSA-N 437.624 5.264 30 10 IKEE C=C(C(=O)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(F)(F)F 2071347600 XBOIAKXAYYFHIZ-XMMPIXPASA-N 442.433 5.566 30 10 IKEE Cc1ccc([C@@H](n2nc(C(F)F)c(C#N)c2I)C2(C)CC2)cc1F 2079015748 ZOKMHVJNAFDICB-CQSZACIVSA-N 445.226 5.134 30 10 IKEE C[C@@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C2CCC2)c(C=NO)c1Br 2080005476 GIAPFHJZMZRXPC-VIFPVBQESA-N 434.231 5.488 30 10 IKEE Cc1cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)ccc1Cl 2107706438 VJTBSZQUUXSXNO-SFHVURJKSA-N 435.749 6.417 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1ncoc1C(F)F 2111566595 OBFXSGWRJXSQKW-LBPRGKRZSA-N 428.233 5.381 30 10 IKEE O[C@@H](CC#CC1CCCCC1)c1ccc(Br)cc1I 2142276529 DWZMNQAEHZLUIV-INIZCTEOSA-N 433.127 5.061 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1c1cc(Br)cc(C#N)c1 2174811840 CYTSSMIGLQKCKV-RBUKOAKNSA-N 434.378 5.079 30 10 IKEE N#Cc1cc(F)c(Cl)cc1Nc1ccc(Cl)c(I)c1Cl 2184412550 SLUPZAMHXFSWRM-UHFFFAOYSA-N 441.458 6.006 30 10 IKEE C=C(c1ccccc1)[C@@H](NCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2197140579 VVOSXIXHOXZNNW-HXUWFJFHSA-N 431.374 6.160 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)cc1OC 2239664733 LNSKZACOOYUJGR-MJGOQNOKSA-N 441.410 5.358 30 10 IKEE C=C(COCc1ccccc1)[C@@](C)(OCCC(=O)O)c1ccc(OCc2ccccc2)cc1 2275806954 LJRQJTPLFOCRBQ-MUUNZHRXSA-N 446.543 5.745 30 10 IKEE CCN[C@H](CC#CC1CCCC1)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2289851196 CWPXCWNTHSQJNU-LJQANCHMSA-N 435.406 6.030 30 10 IKEE O=C1C(=Cc2cccn2-c2ccccc2)SC(=Nc2ccccc2)N1Cc1ccco1 2293983678 QPCAXJZBLTYCSM-UHFFFAOYSA-N 425.513 5.875 30 10 IKEE C=CCC1([C@H](NCCC)c2ccc(C)c(Br)c2)CN(C(=O)OC(C)(C)C)C1 2295976804 CAWJQPZHOBHGPS-LJQANCHMSA-N 437.422 5.611 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C=C[C@H](N)C#Cc2cccc(Br)c2)cc1 2296278936 JQQPCSIKFQHBHN-IBGZPJMESA-N 427.342 5.188 30 10 IKEE CCCCN(CCCC)Cc1c(O)ccc2c1OC(=Cc1c(F)cccc1Cl)C2=O 2296591477 NMLQAGQGAZFHHB-UHFFFAOYSA-N 431.935 6.203 30 10 IKEE COc1ccc(C=C2CC[C@]3(C[C@@H]4CCCC[C@@]4(O)O[C@@H]3c3ccc(OC)cc3)C2=O)cc1 2297473631 LHZZMHLXKOFUGQ-VLQWODCGSA-N 448.559 5.477 30 10 IKEE C#Cc1cccc(NC(=O)CSc2nc3c(c(C=Cc4ccccc4)c2C#N)CCC3)c1 2297563423 UKNUZPZNGZQFMW-UHFFFAOYSA-N 435.552 5.324 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@@]12CC[C@@H](C1)N(C(=O)OC(C)(C)C)C2)NCCC 2302109003 RSBMUUKKFIRIOW-PPJWLVRDSA-N 428.617 5.307 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C(=O)C=Cc3ccc(Cl)cc3Cl)cc2)c1 2314429890 RBIHLXHNRLRMMI-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE C=CCN1C(=O)C(=C(C)c2ccc(OC)cc2)SC1=Nc1nc(-c2ccccc2)cs1 2314544247 WXTSKYOPFWWQPU-UHFFFAOYSA-N 447.585 5.999 30 10 IKEE CC[C@@]1(C)N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2315232245 SQVOUZAEHKCVJQ-DNQXCXABSA-N 447.551 5.639 30 10 IKEE COc1ccc(C=C2Oc3cc(OCc4ccc(Cl)cc4Cl)cc(C)c3C2=O)cc1 2321779904 SATQWDUIQURKGO-UHFFFAOYSA-N 441.310 6.506 30 10 IKEE Cc1cc(OCc2cccc(F)c2)cc2c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O2 2321888361 ORRKXIGXHDHVLY-UHFFFAOYSA-N 429.274 6.636 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=CC=Cc1ccccc1)O3)CN(Cc1nc3ccccc3[nH]1)CO2 2322192963 KXMBYZIXVLAFPF-UHFFFAOYSA-N 449.510 5.396 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccccc1OCC(=O)NCc1ccco1 2322952840 LPLLWUNOHIMKDH-UHFFFAOYSA-N 431.532 5.477 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OC(=O)CCc3ccc(C)cc3)cc(C)c2C1=O 2323087063 FCKYLGYVBQCVHV-UHFFFAOYSA-N 442.511 5.857 30 10 IKEE CCCCCCCCCOc1ccc(C=Nn2c(S)nnc2[C@H]2CCCO2)cc1OC 2323533195 XKGPUTOWMNGLRJ-HXUWFJFHSA-N 446.617 5.439 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OC(=O)c3ccc(OCC(C)C)cc3)c2C)C1=O 2323641570 ATYFCHLNXFFHKH-UHFFFAOYSA-N 442.511 6.174 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1cc(C)ccc1C 2323780779 QTWOMFODEWHSBX-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE CCCOc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2F)C3=O)c1 2323831849 KHMVVMRCAKONIO-UHFFFAOYSA-N 432.447 5.758 30 10 IKEE COc1ccc(C=C2CN(Cc3ccccc3)CCC2=O)cc1OCc1ccc(C)cc1 2323865826 GUTCMWRSKLCMLD-UHFFFAOYSA-N 427.544 5.441 30 10 IKEE CCCN(CCC)Cc1c(O)cc(C)c2c1OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2324097331 ACXCVYAIYJSIBD-UHFFFAOYSA-N 441.571 6.606 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc(C=CC(=O)c3cccc4ccccc34)cc2)c1 2324128149 ICXIAGVMTNOEGM-UHFFFAOYSA-N 435.523 6.370 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)cc2)cc1 2324332844 UZWBBIHYEAVHHW-UHFFFAOYSA-N 427.544 6.142 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)c(OC)c1 2324464645 STIXVMJCKTUILE-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE CCCOC(=O)[C@@H](CC)Oc1cc(C)c2c(c1)OC(=Cc1cn(C)c3ccccc13)C2=O 2325079353 FKKXGWJZNYYXOP-OAQYLSRUSA-N 433.504 5.214 30 10 IKEE CCCCCCCCCOc1cc(C)c2c(c1)OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2325196493 KMJMZMWHQICQCF-UHFFFAOYSA-N 434.620 8.038 30 10 IKEE COc1ccc(C)cc1NC(=O)CCOc1cc(C)c2c(c1)OC(=Cc1ccccc1)C2=O 2325471214 IUGYFFOOHVKIPK-UHFFFAOYSA-N 443.499 5.336 30 10 IKEE COc1ccc2ccccc2c1C=Nn1cnnc1SCc1c(F)cccc1Cl 2325669346 WHDRJVNKGKSUOF-UHFFFAOYSA-N 426.904 5.407 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1OC(=O)Cc1cccs1 2325700846 SJNYRAAUXCOVQB-UHFFFAOYSA-N 432.541 5.680 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1OC(=O)Cc1ccc(F)cc1 2325724888 RUEHUYDHTCTKPQ-UHFFFAOYSA-N 426.390 5.157 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2cccc(OC(=O)CCCSC)c2)cc1Cl 2325767131 XDZSIIMXOUJPFB-UHFFFAOYSA-N 439.360 5.947 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1OC(=O)Cc1cccs1 2325771568 GECITLWOTQAZJX-UHFFFAOYSA-N 447.339 6.108 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1sccc1C 2326017685 RFNKADMRGZUELC-UHFFFAOYSA-N 433.002 5.473 30 10 IKEE CCCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1cccc(O)c1 2326026142 JOSCUTJWNSLFKG-UHFFFAOYSA-N 430.961 5.033 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1cc(Cl)c(OC)c(OC)c1 2326296413 LGXTUZHYTVNPBZ-UHFFFAOYSA-N 444.988 5.384 30 10 IKEE COc1cc(C=Nn2c(C)nnc2SCc2ccc(C(C)(C)C)cc2)cc(Cl)c1O 2326315598 IMHRIXGMIPRYIS-UHFFFAOYSA-N 444.988 5.426 30 10 IKEE Cc1cccc(CSc2nncn2N=Cc2ccc(OCCCc3ccccc3)cc2)c1 2326370277 NGQIPXULCOYJJJ-UHFFFAOYSA-N 442.588 5.773 30 10 IKEE CCCOc1ccccc1C=Nn1c(CCc2cccc3ccccc23)nnc1SC 2326566244 NUUPTWXWHYAHHF-UHFFFAOYSA-N 430.577 5.609 30 10 IKEE Clc1ccc(OCc2nnc(SCCc3ccccc3)n2N=Cc2cccnc2)cc1 2327559795 RVYWDEQYGZDHDV-UHFFFAOYSA-N 449.967 5.123 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1c[nH]c2ccccc12 2327576051 SPYIWJJEANAPKO-UHFFFAOYSA-N 425.945 5.376 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccc(Cl)cc3)n2N=Cc2ccco2)cc1 2328003522 KQAAWCOYAANIKY-UHFFFAOYSA-N 436.968 5.793 30 10 IKEE Cc1cccc(C=Nn2c(Cc3ccc(C)c(C)c3)nnc2SCc2ccccc2F)c1 2329423897 WDOLOXJTBHXBGS-UHFFFAOYSA-N 444.579 6.108 30 10 IKEE CCCSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1ccc(Cl)cc1Cl 2329445684 WZYOFMURBKYYPH-UHFFFAOYSA-N 433.408 6.177 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2C)n1N=Cc1cccnc1 2329470077 QBVWSYPTQTYZJI-UHFFFAOYSA-N 427.577 5.250 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccccc3)n2N=Cc2cccc(F)c2)c1 2329888227 CTXVNCSPYSLKHS-UHFFFAOYSA-N 432.524 5.479 30 10 IKEE C=C(C)CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1ccc(Cl)c(Cl)c1 2330103616 MVLIZWJPMKUDOH-HNNXBMFYSA-N 431.392 6.287 30 10 IKEE C=CCSc1nnc(CCc2ccccc2)n1N=Cc1ccc(OCC)c(OCC)c1 2330201793 LVRVVHMVQHQIPJ-UHFFFAOYSA-N 436.581 5.021 30 10 IKEE O=[N+]([O-])c1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2-c2cccs2)cc1 2330556405 MTTUKGCQZXXGLP-UHFFFAOYSA-N 439.497 5.228 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1Cl 2330683674 IEFOTSCMLXVHAQ-UHFFFAOYSA-N 430.931 6.643 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Br)c(OC(C)=O)c(OC)c2)cc1 2330840904 MCOIGLFBXJXWRB-UHFFFAOYSA-N 431.326 5.622 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2ccc(C)cc2)nnc1C(F)(F)F 2331108684 UVTBAGYJNNLBHI-UHFFFAOYSA-N 434.487 5.569 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3cccc(F)c3)nnc2-c2ccco2)c1 2331187195 FPAPYIYIVCOAIR-UHFFFAOYSA-N 436.512 5.641 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 2331345344 GCHYOYCMVPFVMQ-UHFFFAOYSA-N 449.434 5.556 30 10 IKEE COc1cc(C=Nn2c(SCc3ccccc3F)nnc2C(C)(C)C)cc(Cl)c1O 2331396354 PQBUKKUNVXMLDV-UHFFFAOYSA-N 448.951 5.257 30 10 IKEE Cc1cccc(CSc2nnc(CC(C)C)n2N=Cc2ccc(Br)cc2)c1 2331440447 UUQUHYZYVQVTOK-UHFFFAOYSA-N 443.414 5.722 30 10 IKEE O=C(Cc1cccs1)Oc1ccc(C=CC(=O)c2ccc(F)cc2)cc1Br 2331523171 FDLSJSGKKYJGBV-UHFFFAOYSA-N 445.309 5.694 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccccc3F)cc2)cc1C(C)C 2331571792 PQRPTFHOPGXTSR-UHFFFAOYSA-N 432.491 6.381 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)c(C)c1C 2331612330 HRFLAPZRGXVEAC-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE CCN(CC)c1ccc(-n2nnc(C#N)c2NC(=O)C=Cc2ccc(C(C)C)cc2)c(C)c1 2332187245 GHMJIBYXWCPVSB-UHFFFAOYSA-N 442.567 5.069 30 10 IKEE CC(C)c1ccc(C=CC(=O)Nc2c(C#N)nnn2-c2ccc(Cc3ccccc3)cc2)cc1 2332187687 ZXOFUSRCUCOIDQ-UHFFFAOYSA-N 447.542 5.505 30 10 IKEE CCN(c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C1CCN(Cc2ccccc2)CC1 2365063203 WGHHPERWLGSQTL-SAPNQHFASA-N 447.432 5.217 30 10 IKEE CN(c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2365108763 ZKYODDKGEPBTST-LADGPHEKSA-N 448.416 5.546 30 10 IKEE Cc1ccc(SCc2ccc(B3OC(C)(C)C(C)(C)O3)c(Br)c2)cc1C 2377294328 LVXXZSIQRNIHCI-UHFFFAOYSA-N 433.220 5.657 30 10 IKEE O=C(/C=C1\Nc2cc([N+](=O)[O-])ccc2N\C1=C\C(=O)c1ccc(F)cc1)c1ccc(F)cc1 5596265 RHYBGKOYQMEOQJ-RCTYKDGCSA-N 447.397 5.244 30 10 IKEE Cc1ccc(C2=NN(c3ccc(/C=N/c4ccccc4C)cc3)[C@H](c3ccccc3)C2)cc1 15772856 UOQSIVMPCHHJRA-LXXHRJRASA-N 429.567 7.410 30 10 IKEE C=CCn1c(S[C@H](C)C(=O)Nc2cccc(Cl)c2C)nnc1-c1ccc(Cl)cc1 16862751 RNGUTFTXMUKGFZ-CQSZACIVSA-N 447.391 5.866 30 10 IKEE O=C1CCCC2=C1[C@H](c1c(Cl)cccc1Cl)c1c(nn(-c3ccccc3)c1O)N2 17094732 BFOGVUUAYQKALA-IBGZPJMESA-N 426.303 5.449 30 10 IKEE C=CCn1c(COc2ccc3c(c2)CCCC3)nnc1S[C@H](C)C(=O)Nc1ccccc1 17973125 AGKGWKIGGQLAOE-GOSISDBHSA-N 448.592 5.041 30 10 IKEE Cc1nc2ccc(Br)cc2c(-c2ccccc2)c1C(=O)/C=C\c1ccccc1 33406183 YXBIJBVXZZGCDK-QINSGFPZSA-N 428.329 6.869 30 10 IKEE C=CCNC(=S)N1N=C2/C(=C\c3ccc(OC)cc3)CCC[C@@H]2[C@H]1c1ccc(OC)cc1 33453836 KUDIFHJEAAEZSH-UEIFFLMZSA-N 447.604 5.361 30 10 IKEE CC(C)CN(Cc1c(O)ccc2c1O/C(=C/c1ccc(Cl)cc1Cl)C2=O)CC(C)C 37858032 JQULBHOFWPHMQW-LSFURLLWSA-N 448.390 6.429 30 10 IKEE C=CCc1ccc(OCCCCn2c([C@H](C)N3CCOCC3)nc3ccccc32)c(OC)c1 39917044 KYRWSONAYCDTAL-NRFANRHFSA-N 449.595 5.026 30 10 IKEE N#Cc1c(NC(=O)c2ccc(-n3nncc3-c3ccc(F)cc3)cc2)sc2c1CCCC2 40180206 VHIHYEQRVRBTNB-UHFFFAOYSA-N 443.507 5.138 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OC(=O)Cc4ccc(OC)cc4)c3C)C2=O)cc1 41358120 RKRLDRPFXOYIBW-IWIPYMOSSA-N 428.484 5.330 30 10 IKEE CCCCCCC[C@](O)(c1ccc(OC)cc1)[C@H](CN1CCOCC1)c1ccccc1 98048927 BONCPNABCFPOTE-SXOMAYOGSA-N 425.613 5.359 30 10 IKEE CCCCCCCCCCCCCC(=O)Nc1ccccc1OCCOc1ccccc1 100442258 LIZVVDRUJLQKMQ-UHFFFAOYSA-N 439.640 7.784 30 10 IKEE O=C(C[C@H]1S/C(=N/c2ccccc2)N(CCc2ccc(F)cc2)C1=O)Nc1ccccc1 101583847 XJSYGBNEDOIGCF-ZAROTGLESA-N 447.535 5.029 30 10 IKEE Cc1nc(N2C(=O)C(=O)/C(=C(\O)c3ccccc3)[C@H]2c2ccc(C(C)(C)C)cc2)sc1C 103223722 XFPDXDFVYXJGAY-SADKCHQCSA-N 446.572 5.684 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cc(C)cc(C)c2)cc1 169922445 NEYDXDKRFCSSGA-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE CC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 169936823 HTKMGNDQWMLAKS-FQEVSTJZSA-N 435.376 5.296 30 10 IKEE CCOc1cc([C@@H]2NC(=S)N(C)C(C)=C2C(C)=O)ccc1OCc1ccccc1Cl 169937016 FHRSRORDMSFOEC-QFIPXVFZSA-N 444.984 5.042 30 10 IKEE CCCCCOc1ccc(/C=N\Nc2nc(-c3ccc(Cl)cc3)cs2)cc1OCC 169940741 QIHCPVWQZZHJRK-MYYYXRDXSA-N 444.000 6.877 30 10 IKEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@@H]1c1cccs1)c1cc2ccccc2o1 169989863 YTEVHRYMHJKBPK-HXUWFJFHSA-N 441.468 5.154 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2cccc(C)c2)cc1 170028436 VBCUYNMGWBGFRC-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1cccc2ccccc12)c1cccc(Cl)c1 170044679 CTRBGZGZNWCXRV-AUSIDOKSSA-N 447.918 5.251 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2ccccc2C)cc1 170086169 KYUUFWWKNWFPKS-DEOSSOPVSA-N 427.500 5.349 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(F)(F)F)cc3)[C@H]2c2ccco2)s1 170095528 IMOCHYLHEGQVCK-INIZCTEOSA-N 448.422 5.155 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCOC(C)C)c1 170139830 NIBBMJHYLLHTBS-DEOSSOPVSA-N 429.516 5.152 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccc(C)c2)cc1C 170140703 HBQQUIRVIFYPDU-DEOSSOPVSA-N 445.490 5.624 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C2CCCC2)cc1 170214670 CEEXQCSMDNNMCD-VWLOTQADSA-N 445.559 5.485 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2)cc1C 170221871 ZOFDEDAXKSWVHE-QFIPXVFZSA-N 433.529 5.234 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccco2)c1 170282787 UQRHGMJEGWVTJZ-HJPURHCSSA-N 429.472 5.003 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccco2)cc1C 170282817 PLVAHABBENROKI-QHCPKHFHSA-N 431.488 5.305 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@@H]1c1ccco1 170294351 PEMYIIUBOCBDDM-DEOSSOPVSA-N 445.515 5.545 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(C)c4)[C@@H]3c3ccc(C)o3)oc12 170300518 VZCNTNHYMNUYFC-JOCHJYFZSA-N 443.455 5.434 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(C)o1 170303660 DIJLYZZZEOOYHW-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cn(C)c3ccccc23)c1 170393964 FYBXIWGJDAJOCN-QFIPXVFZSA-N 444.512 5.031 30 10 IKEE COc1ccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 170428731 SFKCEFBJEZCJAQ-IBGZPJMESA-N 436.533 5.129 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(C(C)C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 170467207 PCGBSJDDCAVHSW-VWLOTQADSA-N 433.592 6.623 30 10 IKEE Cc1cccc(N=C2S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2ccccc2)c1 254379752 WLNIKOMTEDTWHC-SEYIQKDNSA-N 429.570 6.174 30 10 IKEE CCOC(=O)c1ccc(NC2CCCCC2)c(N=Cc2cc(Cl)cc(Cl)c2O)c1 254588550 CCCYAYGIFRBNRO-UHFFFAOYSA-N 435.351 6.371 30 10 IKEE C=C1SC(=Nc2ccccc2Cl)N(C(=O)c2c(F)cccc2F)C12CCCCC2 254704793 GGLMRZGTOULZJG-UHFFFAOYSA-N 432.923 6.712 30 10 IKEE CCCCCCCCCCCC(=NO)c1ccc(OCCCCCCCCCC)cc1O 254744629 ZXONIAIFOGJWPL-UHFFFAOYSA-N 447.704 9.011 30 10 IKEE C=C1CC[C@@H](O)C/C1=C/[C@H](O)[C@]1(O)CCC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@@H](C)C(C)C)CC[C@@H]12 257372453 KXILCRGOVVVVRF-IMIFIEQGSA-N 430.673 5.807 30 10 IKEE C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)/C=C\[C@H](C)C(C)(C)O)C[C@H](O)C[C@@H]1O 271779209 ZGLHBRQAEXKACO-FFXHZGBOSA-N 428.657 5.727 30 10 IKEE CSc1nc(O)c(C(=O)Nc2ccccc2NC23CC4CC(CC(C4)C2)C3)cc1C#N 476828052 ZLWRKIZVQAETCE-UHFFFAOYSA-N 434.565 5.014 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2c(C)[nH]c3ccccc23)cc1 526486286 NZSUWKRGGRFHQM-AREMUKBSSA-N 449.510 5.804 30 10 IKEE Cc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2c(C)n(C)c3ccccc23)cc1 526491750 PYRQJCJGCSIYPE-AREMUKBSSA-N 433.511 5.724 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccc(F)c2)cc1 526604855 RFNFXBCVOLEAKN-DEOSSOPVSA-N 428.463 5.543 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1cc(Cl)c(O)c(Cl)c1 526807235 PFICOXHSICUSMD-AFPJDJCSSA-N 441.771 5.681 30 10 IKEE COc1c(Cl)cc(/C=N\n2cnnc2SCc2cccc(Cl)c2)cc1Cl 526812191 IJEWBLLCXYCKOP-UYOCIXKTSA-N 427.744 5.421 30 10 IKEE CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1ccc(Cl)c(Cl)c1 526828858 NBLRQCCEWRKVGA-FBHDLOMBSA-N 436.324 5.230 30 10 IKEE N#Cc1ccc(Nc2nc(Br)c(Br)s2)cc1Br 686907590 DCRUJZWGBBEWAF-UHFFFAOYSA-N 437.942 5.046 30 10 IKEE CC(C)(C)OC(=O)N(CC1CC1)[C@@H](C#N)c1cc(Br)cc(Br)c1 698822842 DALVIAORISAMJC-HNNXBMFYSA-N 444.167 5.423 30 10 IKEE CCCCCCCC[C@@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 705430064 IQHWDEYIUFRPRL-ICDZXHCJSA-N 448.692 6.604 30 10 IKEE CCCCCCCCCC[C@H](N)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 707805522 CPHZBGLJLHKLHK-OEMFJLHTSA-N 434.665 6.343 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C1 724076423 GWNJNPULQAYKKE-OPAMFIHVSA-N 435.590 5.072 30 10 IKEE Clc1ccc2c(c1)C[C@@H](N1CCN(N=Cc3ccccc3)CC1)c1ccccc1S2 725428504 SIINXGRKDZFHHV-HSZRJFAPSA-N 434.008 5.740 30 10 IKEE CCOc1ccc(-n2c(C)cc(/C=C3/SC(=Nc4ccc(F)cc4)NC3=O)c2C)cc1 1083895064 LRMAQOOORHMVFP-HYARGMPZSA-N 435.524 5.524 30 10 IKEE CC(C)c1ccc(/C=C/C=NNc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1 1084247172 BVDRVHBTQDZKFX-JMPNPSGMSA-N 449.562 6.593 30 10 IKEE O=C1/C(=C\c2cccs2)S/C(=N/N=C/c2ccc(Cl)cc2)N1Cc1ccco1 1615301461 RPMGJBOJZVEQRM-LDDSPRMQSA-N 427.938 5.501 30 10 IKEE O=C1/C(=C/C=C\c2ccco2)SC(=Nc2ccc(Cl)cc2)N1c1ccc(Cl)cc1 1772742873 CFGAMOYWVKJKCJ-JEUHOAFYSA-N 441.339 6.951 30 10 IKEE O=C(ON1C(=O)c2ccccc2C1=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1 1772791754 DLLIIOPFUNNTBZ-UHFFFAOYSA-N 428.227 5.154 30 10 IKEE N#Cc1ccc(NC(=O)c2nn(-c3ccccc3)c(-c3ccccc3)c2Br)cc1 1859414382 SQKPYAFYTLVLNO-UHFFFAOYSA-N 443.304 5.426 30 10 IKEE CCCCCCCCCOc1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1 1860104127 WOKIJYZFTWNPBB-UHFFFAOYSA-N 438.395 7.140 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 1861671137 SSXXQBTUGNCTLV-WIYYLYMNSA-N 425.013 5.259 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(N(C)C)cc1 1862380850 MKISPVFUADGGCZ-FQEVSTJZSA-N 447.362 5.294 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(N(C)C)cc1 1862380989 PBRKIIUPVMLPNY-LJQANCHMSA-N 433.335 5.046 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccccc2Cl)cc1 1862391430 AFAPNSOAAUQHDT-JOCHJYFZSA-N 425.956 5.917 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@@H]1c1ccc(Cl)cc1Cl 1862395140 VTCAFIVALNEBQS-NRFANRHFSA-N 444.358 6.100 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccccc1Br 1862439935 PYLHQRNVUXNYKE-SFHVURJKSA-N 448.744 5.337 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(N(C)C)cc1 1862478014 XIKZFWVDMAZSLL-RUZDIDTESA-N 448.607 6.000 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2c(F)cccc2Cl)cc1 1862480531 ITODUMZPLZROEH-QHCPKHFHSA-N 449.909 5.874 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccccc2[N+](=O)[O-])c1 1862492191 LLUVQPOSSBXJLO-XTQVGHSUSA-N 448.519 5.369 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862531554 QBRJOZAYLADEJS-HSZRJFAPSA-N 448.519 5.458 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1cccc(F)c1)c1ccc2c(c1)CCCC2 1862544732 KEIORLJHYPMLNW-HSZRJFAPSA-N 447.531 5.545 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C2CCCCC2)c1 1862597188 SDOQIJQWAOVVPX-HSZRJFAPSA-N 435.520 5.092 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1cccc2ccccc12 1862619714 BBTMROTUBZFAGE-DEOSSOPVSA-N 425.528 5.902 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccccc1C 1862660323 KKWCGXHUAWJXOZ-JYFHCDHNSA-N 447.619 7.056 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Cl)c2)cc1 1862661903 UATAWBJNCUNCGX-HSZRJFAPSA-N 446.934 5.637 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccc(F)cc1 1862684824 GUXUILUIMGGSGI-DEOSSOPVSA-N 443.474 5.145 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2cccc(OC)c2)cc1 1862686769 BCZONMOPTLBZBA-DEOSSOPVSA-N 449.547 5.395 30 10 IKEE Cc1ccc(NC2=C(c3ccc(Cl)c(Cl)c3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862912463 PJRLLTWHYZYNIN-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE Cc1ccc(Cl)cc1NC1=C(c2ccc(F)cc2F)C(=O)N(c2cccc(C#N)c2)C1=O 1862946186 APDDPDRHMJCCHK-UHFFFAOYSA-N 449.844 5.195 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(OC)cc2)C(=O)N(CCCCC)C1=O 1863669086 YGSNEXUOHZMDGO-UHFFFAOYSA-N 428.617 5.696 30 10 IKEE CC(C)[C@H]1c2ccccc2CCN1c1cc(Nc2cccc(C#N)c2)nc(-c2cccnc2)n1 1868553504 PIZCVNOXYJJUNZ-MHZLTWQESA-N 446.558 5.914 30 10 IKEE C=CCOc1cn(CCc2ccc(C)cc2)c(CSc2nc3ccccc3s2)cc1=O 1870244482 RQAKNQQLOWCGMO-UHFFFAOYSA-N 448.613 5.866 30 10 IKEE CCCN(CCC)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1Cc1ccccc1F 1870350791 WPFISQOXCPTZPA-UHFFFAOYSA-N 447.554 5.108 30 10 IKEE CCCCCCCCCCn1cc(OCCCO)c(=O)cc1CN1C[C@@H](C)C[C@@H](C)C1 1870359562 AKYYMHIPAMRGGF-ZRZAMGCNSA-N 434.665 5.228 30 10 IKEE CCCCCCCCn1cc(OCC2CCCCC2)c(=O)cc1CN1C[C@@H](C)O[C@H](C)C1 1870483386 PXFISKRJFGQNPK-DHIUTWEWSA-N 446.676 5.777 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2c(C)cccc2C)cn1Cc1ccc(F)cc1 1870488516 GSABIMFYYVQVBW-UHFFFAOYSA-N 446.566 5.406 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCOc2cccc3ccccc23)cn1CC(C)C 1870591198 AXEDVETZZFNDKZ-UHFFFAOYSA-N 446.591 5.289 30 10 IKEE CCCCCCCOc1cn(CC)c(CNc2ccc(OC(F)(F)F)cc2)cc1=O 1870836531 ZCCKOZLCJKPYAE-UHFFFAOYSA-N 426.479 5.728 30 10 IKEE COc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2cc(C)ccc2C)C4)cc1 1871349677 XLTSRKHBCDWNCP-MXAYSNPKSA-N 441.527 5.589 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OC(=O)CCc3ccc(Cl)cc3)ccc2C1=O 1871369092 YVOSSJAPQVYFDD-UCQKPKSFSA-N 434.875 5.503 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)c2C)C1=O 1871372652 CWPFSNBXXURROB-NHDPSOOVSA-N 449.846 5.700 30 10 IKEE Cn1cc(/C=C2\Oc3cc(OC(=O)c4cccc5ccccc45)ccc3C2=O)c2ccccc21 1871377716 AODYSDZVOITQLE-DICXZTSXSA-N 445.474 6.167 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(OCC)cc2)C3=O)CC1 1871384056 WMVQWWWZOHOBBF-ONUIUJJFSA-N 448.559 6.604 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OC(=O)CCc3ccccc3)cc(C)c2C1=O 1871386025 ZGQGCLYEYOQHBH-JLPGSUDCSA-N 428.484 5.548 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccn2)C3=O)c(OCC)c1 1871387123 ZSRAMQVDYHUZHK-QRVIBDJDSA-N 445.471 5.023 30 10 IKEE Cc1ccc(OCCCCOc2cc(C)c3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871404296 GUBPSNHNLNNZOY-XYGWBWBKSA-N 448.946 6.811 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc(C(F)(F)F)c4)ccc3C2=O)o1 1871418292 MTNBZOPQRDAAOH-JAIQZWGSSA-N 443.377 5.241 30 10 IKEE CCc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2F)C3=O)cc1 1871454818 ZKFWLCYHZFAUID-UCQKPKSFSA-N 431.463 5.330 30 10 IKEE CCCCCCCCN=c1nc(N(CCC)CCC)[nH]c(=Nc2cc(C)cc(C)c2)[nH]1 1871550548 SEMCMAYRPJMERX-UHFFFAOYSA-N 426.653 5.475 30 10 IKEE CCCCCCCCN=c1nc(N(CCCC)CCCC)[nH]c(=Nc2cccc(C)c2)[nH]1 1871650242 QDLJHOKRWDZIJA-UHFFFAOYSA-N 440.680 5.946 30 10 IKEE C=CCN([C@H](CCC)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1cc(C)ccc1C 1871798751 BUPLZCLVQGHTBX-OAQYLSRUSA-N 449.016 5.249 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(F)cc1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1871873740 IXYIGSVXSAUOAS-GAJHUEQPSA-N 446.588 5.063 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cccc(C)c1)[C@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872267363 GHKXILQYZVOVBI-YKSBVNFPSA-N 442.625 5.232 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(Cl)cc1C)[C@H](C)CC)S(=O)(=O)CCCC 1872507233 KBRLFCHJLUHMKL-UZLBHIALSA-N 429.026 5.010 30 10 IKEE N#C[C@@H](C(=O)CNC(=O)c1ccccc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872759346 LAKOGIWZPLMROV-QFIPXVFZSA-N 437.524 5.083 30 10 IKEE CC(C)c1ccccc1O[C@@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(F)cc2F)cs1 1872766421 GJSWXCBDRKYAJN-KSSFIOAISA-N 426.488 5.855 30 10 IKEE Cc1ccc(C)c(OCC(=O)[C@@H](C#N)c2nc(-c3cccc4ccccc34)cs2)c1C 1872775425 QBUQTIRPVKXVNW-JOCHJYFZSA-N 426.541 6.144 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)Cc2ccc(F)c(C)c2)n1 1872786760 RPPWQFJAGIYIHN-KRWDZBQOSA-N 428.916 5.647 30 10 IKEE CCCCCCCCNC1=C(c2cccc(OC)c2)C(=O)N([C@@H]2CCCC[C@H]2C)C1=O 1873048169 RFZMDSIMOCBWED-DENIHFKCSA-N 426.601 5.304 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC2CC2)=C(c2ccccc2Br)C1=O 1873068020 GIHXUIFNZYJOKE-UHFFFAOYSA-N 447.417 5.422 30 10 IKEE CCCCCCCCNC1=C(c2ccc(F)c(C)c2)C(=O)N(CCCCCCCC)C1=O 1873152529 HHQHJMCMAGWPGB-UHFFFAOYSA-N 444.635 6.525 30 10 IKEE C=CCSc1nnc(NC(=O)/C=C/c2ccc(OCc3ccccc3Cl)cc2)s1 1873434822 OSMAUKJHQKNGTN-FMIVXFBMSA-N 443.981 5.701 30 10 IKEE CCCOc1ccc(/C=N/Nc2oc(-c3ccc(C)cc3)nc2C(=O)OC)cc1OCC 1873462125 PQAZZDBISZWDPQ-MFKUBSTISA-N 437.496 5.070 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(C)c(Cl)c1)n2CCCC 1873657019 SIOZEXWHYLUVAH-UHFFFAOYSA-N 437.975 5.624 30 10 IKEE N#Cc1cccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCCC3)C23CCCCC3)c1 1873867236 SFEJVQXGJACUOK-RUZDIDTESA-N 441.575 5.772 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc(F)cc1F 1874231958 KAMNEYPZGVJKDO-RWPZCVJISA-N 448.542 6.045 30 10 IKEE CCCCC1CCC(c2nnc(SCCCO)n2/N=C/c2ccc(Cl)cc2)CC1 1874286406 DWEJQZBCVLHQRX-LFVJCYFKSA-N 435.037 5.752 30 10 IKEE C=CCSc1nnc(CCc2ccc(OC)cc2)n1/N=C/c1c(Cl)cccc1Cl 1874307282 OASMFVUDNOLZMF-ZVHZXABRSA-N 447.391 5.539 30 10 IKEE Cc1ccc(/C=N/n2c(Cc3ccc(C)c(C)c3)nnc2SCc2ccc(F)cc2)cc1 1874357410 FYKRYGIUFMRJGJ-LQKURTRISA-N 444.579 6.108 30 10 IKEE COc1cccc(/C=N/n2c(SCCc3ccccc3)nnc2[C@H](C)c2ccccc2)c1 1874400622 VTIYVSNJQSJMKZ-PZLSILOWSA-N 442.588 5.656 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(Cc3ccccc3)nnc2SCc2cccc(Cl)c2)c1 1874419318 IJYKQCRUTQLERC-CVKSISIWSA-N 448.979 5.711 30 10 IKEE COc1cccc(/C=N/n2c(SCc3cccc(F)c3)nnc2-c2ccccc2)c1OC 1874427098 QLKPKQGHQBTKFR-CVKSISIWSA-N 448.523 5.276 30 10 IKEE COc1cc(/C=N/n2c(CC(C)(C)C)nnc2SCc2cc(C)ccc2C)ccc1O 1874438721 PHGUTSZYSMQWIA-AFUMVMLFSA-N 438.597 5.372 30 10 IKEE C=C(C)CSc1nnc(C2CCCC2)n1/N=C/c1ccc(OCCCC)c(OCC)c1 1874454575 KXNPFOQLDZBAKO-PCLIKHOPSA-N 442.629 6.064 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1/N=C/c1ccc(C(C)C)cc1 1874477812 IPCIQPCUQIXZKQ-WGOQTCKBSA-N 449.624 5.666 30 10 IKEE C=CCSc1nnc(CCCC)n1/N=C/c1ccc(OCCCCCC)c(OC)c1 1874478958 ATLLECPJSARTDE-HKOYGPOVSA-N 430.618 5.749 30 10 IKEE C=CCSc1nnc(C2CCC2)n1/N=C/c1ccc(OCc2ccc(C)cc2)c(OC)c1 1874496542 RRVOJQUDMVYFTL-WGOQTCKBSA-N 448.592 5.602 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2c(OCc3c(F)cccc3Cl)ccc3ccccc23)c1 1874580552 TVDHWUWVRSXVMN-BUHFOSPRSA-N 444.933 7.724 30 10 IKEE Cc1ccc(C(=O)/C=C/c2c(OCC(=O)NCc3ccco3)ccc3ccccc23)cc1C 1874588572 TXSMNSGUXGRXFC-OUKQBFOZSA-N 439.511 5.641 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2cccc(OCc3ccccc3Cl)c2)cc1Cl 1874599747 BSVJCJBMVUINCJ-MDZDMXLPSA-N 447.745 7.131 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OCc1cccc2ccccc12 1874608336 IZMPXEHYSJQPCV-FYWRMAATSA-N 428.915 6.977 30 10 IKEE O=C(/C=C/c1ccc(OCc2c(Cl)cccc2Cl)c(Cl)c1)c1ccc(F)cc1 1874625115 MRRGMUAOUBITIJ-ONNFQVAWSA-N 435.709 7.261 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(F)c3)c(OC)c2)cc1Cl 1874636616 JUCZDOVTCUPPJW-RMKNXTFCSA-N 426.871 5.971 30 10 IKEE CCC(=O)Oc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c(Br)cc1OC 1874693453 GMWQYGDNDCWHOA-ZHACJKMWSA-N 443.337 5.548 30 10 IKEE O=C(Cc1ccccc1[N+](=O)[O-])Oc1cccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c1 1874693683 QXMDIQVCNHMPHK-NTCAYCPXSA-N 441.483 5.518 30 10 IKEE CCCCC1CCC(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)c2)CC1 1874706210 VWFMUDLXTQSYCU-DEDYPNTBSA-N 446.631 7.782 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)C3CC3)c2)cc1 1874708513 GQFMMTPLFDGSDT-LZYBPNLTSA-N 436.548 6.256 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc(C)cc3)c2)c1 1874713208 KYVHGGYJDNDPHU-RVDMUPIBSA-N 430.500 5.908 30 10 IKEE C=CCN(CC=C)CCC(=O)c1cccc(NC(=O)Cc2cc(Cl)ccc2Cl)c1 1874719982 CTCFKBFTHLFDBU-UHFFFAOYSA-N 431.363 5.421 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)c(Cl)c2)c1 1875102235 CAQHXTIEXJLRFP-RIYZIHGNSA-N 448.946 6.761 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc1 1875107452 QOKMKZWYPSWZEL-RVDMUPIBSA-N 446.499 5.283 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C(F)(F)F)c(Br)c1)c1ccccc1Cl 1875113489 JTWJVDSRBCSWSM-FNORWQNLSA-N 433.607 5.466 30 10 IKEE O=C(Cc1ccc(F)cc1F)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1Cl 1875120738 IFUFEJLMVIUVCL-LREOWRDNSA-N 448.799 5.941 30 10 IKEE C[C@@H](C(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1[N+](=O)[O-])c1ccccc1 1875125048 NYILJYNDWVDIKZ-XKOZXHHJSA-N 437.398 5.478 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2OCC)cc1 1875128628 MIULRFSZVVGBOZ-FOWTUZBSSA-N 430.500 5.528 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 1875137094 VNZHNXONYBSGNF-UXBLZVDNSA-N 444.571 6.412 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)Oc3ccc(Cl)cc3)cc2)cc1 1875156115 LAJRXVNYJVKUSM-LDCDQMDXSA-N 448.946 6.732 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)CCCCCC 1875157140 PHCACCITFOLLEJ-QGOAFFKASA-N 448.603 7.319 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)Cc1ccc(F)cc1F 1875158762 LRYNHSYSDKENRW-QDEBKDIKSA-N 440.417 5.547 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)CCc2ccccc2C)cc1 1875169173 DAYAREPVBXUBQV-RVDMUPIBSA-N 428.528 6.055 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(OC)c(Cl)cc2OC)cc(OC)c1OC(=O)CC 1875173652 SBSFRZSZXVNTTO-MDZDMXLPSA-N 444.911 5.306 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3cccc(C)c3)c(OC)c2)cc1C 1875191462 NJMQVPYBSAKAAP-PKNBQFBNSA-N 430.500 5.744 30 10 IKEE C=CCC(CC=C)OC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)CC 1899398900 VLVATLMLYSWTHO-BCHFMIIMSA-N 447.575 6.004 30 10 IKEE C#CCN(C(=O)[C@H](CC)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCC1 1901532119 RSOMBNBNTVGPSO-SANMLTNESA-N 444.575 5.098 30 10 IKEE CC(C)(C)OC(=O)Nc1ccccc1[C@H](C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 1912209476 AJOBVCMBGAYVKM-KRWDZBQOSA-N 430.509 5.536 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCOC[C@@H]1C(F)(F)F 1916555610 VAJNBDCLCCJFOC-WMLDXEAASA-N 449.267 5.052 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](O)c1cccc(OCc2ccccc2)c1 1922102208 GOBGJQVECNAFED-NSOVKSMOSA-N 431.576 5.440 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC12CCC(CC1)N2C(=O)OC(C)(C)C)NCCC 1922108743 WNRYJRYCLHXFHD-SBRHDKPSSA-N 428.617 5.450 30 10 IKEE CC(C)N(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(Br)ccc1Br 1927790295 PQTFLMFXKIOKRM-CQSZACIVSA-N 432.156 5.422 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)NCCC 2009732411 PZSFEUGIXITEHQ-PMACEKPBSA-N 444.538 5.221 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C1(C)C 2014799785 ASZCQFYUJLCZKQ-XMMPIXPASA-N 429.561 5.500 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C)([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)C1 2022134694 LYUZOWDQWLDSMX-WZONZLPQSA-N 449.979 5.621 30 10 IKEE Cc1cc(Br)c([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)s1 2029266071 BENVAMZYQNOLCS-MRXNPFEDSA-N 427.408 6.344 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2032216051 FHQFWHWXJSBOLG-OSPHWJPCSA-N 447.551 5.544 30 10 IKEE C=CCn1c2ccccc2n2nc(C)c(C(=O)C=Cc3cc4c(cc3OCC)C[C@@H](C)O4)c12 2040488282 NQHLJROAYVULNT-QGZVFWFLSA-N 441.531 5.402 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Br)c(Cl)c1 2041574737 NEDSBHUVAMMKQD-SJORKVTESA-N 431.802 5.613 30 10 IKEE O=C(C=Cc1nc2ccccc2[nH]1)c1c(O)nc2ccc(Cl)cc2c1-c1ccccc1 2053472041 SBOKKVUBLNZTCT-UHFFFAOYSA-N 425.875 6.033 30 10 IKEE COc1ccc(-n2c(NC(=O)C=Cc3ccccc3)c(C#N)c3nc4ccccc4nc32)cc1 2059873292 BCCUYUYBNZWGCG-UHFFFAOYSA-N 445.482 5.106 30 10 IKEE C=C([C@@H](N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(C)(C)C 2071357976 SFFBQMBDFCOHNG-SXOMAYOGSA-N 431.576 5.808 30 10 IKEE Cc1ccc([C@H](n2nc(C(C)(C)C)c(C#N)c2I)C2(C)CC2)c(C)c1 2079072601 VVBBTJAPTOUZSB-SFHVURJKSA-N 447.364 5.663 30 10 IKEE Cc1ccc([C@@H](n2nc(C(C)C)c(C=NO)c2Br)C(C)(C)C)c(F)c1F 2079882548 YBEKTXYEZMHJCD-QGZVFWFLSA-N 428.321 5.799 30 10 IKEE CCCCCC#CC[C@H](N)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2083439966 OUPNPTJVGLTEMV-MHZLTWQESA-N 427.588 6.818 30 10 IKEE C=CCC1([C@@H](NC)c2c(Br)ccc(Cl)c2F)CN(C(=O)OC(C)(C)C)C1 2098958357 GRBVOHVSIFLEQH-INIZCTEOSA-N 447.776 5.315 30 10 IKEE Cc1c(Cl)cc(CN2CCC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)cc1Br 2111258821 LPVPWXKPKKHCDR-OAHLLOKOSA-N 428.607 5.469 30 10 IKEE CC(C)N[C@@]1(C#N)C[C@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)CC(C)(C)C1 2127181864 LYGPZYUEFIREPS-PXJZQJOASA-N 446.683 5.460 30 10 IKEE C=CCSc1ccccc1NC(=O)c1csc(Br)c1Br 2150374828 PMGHSOKAQVQWKK-UHFFFAOYSA-N 433.190 5.804 30 10 IKEE CCOC1(C)CCC(C#N)(N(C(=O)OC(C)(C)C)c2cccc(Br)c2)CC1 2161444022 VFICBTIGXPIPGQ-UHFFFAOYSA-N 437.378 5.822 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(F)c(Nc2cc(Br)cc(F)c2C#N)c1F 2163696406 HCMDBPZXJIXITA-UHFFFAOYSA-N 442.235 5.829 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@@](C#N)(Nc3cccc(Br)c3)C[C@H]21 2166981183 YFXYLMORXYYKOQ-FQELHTAISA-N 434.378 5.323 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(F)c(C(=O)C#Cc2ccc(Br)cc2)cc1F 2296221530 JKGJEXCAWRYGFD-UHFFFAOYSA-N 436.252 5.309 30 10 IKEE Cc1c(Cl)cccc1N=C1NC(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1 2297366699 PSVJVXWGNGKFHY-UHFFFAOYSA-N 439.880 5.708 30 10 IKEE Clc1ccc(-c2ccc(C=Nc3cccc(-c4nc5ccccc5o4)c3)o2)cc1Cl 2297710406 FWJNFVFWEXLLPN-UHFFFAOYSA-N 433.294 7.812 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O)c1ccc(Br)cc1 2314437887 ZKYCCLDWBGOQMA-UHFFFAOYSA-N 447.284 5.841 30 10 IKEE Cc1ccc(N=C2NC(=O)SC2=Cc2ccc(-c3cccc(Cl)c3Cl)o2)cc1C 2314482526 NAWSXDJCCRKQLZ-UHFFFAOYSA-N 443.355 7.398 30 10 IKEE Cc1ccc(COc2ccccc2C=C2SC(=Nc3c(C)cccc3O)NC2=O)cc1 2314557153 PGKRIJMHZZXWHS-UHFFFAOYSA-N 430.529 5.480 30 10 IKEE COc1cc(C=Nn2c(C)nnc2SC)ccc1OCc1ccc(Cl)c(Cl)c1 2318414675 FJTLUBVHSJIXIS-UHFFFAOYSA-N 437.352 5.085 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1cn(C)c2ccccc12 2318574233 HXIWETQVMFGZAD-UHFFFAOYSA-N 431.609 5.904 30 10 IKEE CC(C)c1ccc(C=C2Oc3c(ccc4c3CN(Cc3cccc(Cl)c3)CO4)C2=O)cc1 2322211761 XXLANJLQNCECTG-UHFFFAOYSA-N 445.946 6.432 30 10 IKEE O=C1C(=CC=Cc2ccccc2)Oc2c1ccc1c2CN(CCCCc2ccccc2)CO1 2322249433 VUFOQKLYGDZXAV-UHFFFAOYSA-N 437.539 6.034 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(Cl)c(Cl)c1)C3=O)CN(CCCN(C)C)CO2 2322335704 SXNOGNRBDRWKKE-UHFFFAOYSA-N 447.362 5.022 30 10 IKEE CCCCOCCCN1COc2c(cc3c(c2C)OC(=Cc2ccc(Cl)cc2)C3=O)C1 2322391404 MVCKWUJSGZQKQB-UHFFFAOYSA-N 441.955 5.623 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)c1OCc1cccc(Cl)c1 2322585685 FXFHULMQJXMHFT-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OC(=O)c3ccccc3OC)cc(C)c2C1=O 2322698810 GITRVUIDEYXAET-UHFFFAOYSA-N 430.456 5.238 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc(OC(=O)c3ccccc3Cl)c2C)C1=O 2322724982 HXBMFZXKWZHGRM-UHFFFAOYSA-N 434.875 5.883 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OC(=O)Cc3ccc(Cl)cc3)cc(C)c2C1=O 2322901022 HJHUNKGSCOXMMX-UHFFFAOYSA-N 448.902 5.811 30 10 IKEE CCCOc1ccc(Br)cc1C=CC(=O)c1ccc(OCC)cc1OCC 2322910835 QKHOXHDLRGTBTO-UHFFFAOYSA-N 433.342 5.931 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc1OCc1ccccc1F 2323228920 VNBMDBJCCWYPER-UHFFFAOYSA-N 448.534 6.616 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3ccccc3)c2)c2ccccc12 2323330235 JOJSDERNSDWRBG-UHFFFAOYSA-N 437.495 5.762 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2Cl)C3=O)cc1 2323374686 WEOJCHYRUZDHDA-UHFFFAOYSA-N 448.902 5.811 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(OCC)cc2)C3=O)c1 2323832117 MVVKRZVWDLHHHA-UHFFFAOYSA-N 444.483 5.710 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OCC(=O)Nc2ccc(C)cc2)c(Cl)c1 2323992416 JXNKZLPRALQZSW-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OCc3ccccc3F)c([N+](=O)[O-])c2)cc1 2324066519 VGNARDOFOQDGMP-UHFFFAOYSA-N 433.479 6.507 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc3ccccc23)cc(OC)c1OCCc1ccccc1 2324145493 MMAWUSVVMJWRPW-UHFFFAOYSA-N 448.562 7.095 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)cc2)c1 2324332160 DDXIMDIFYKSTDA-UHFFFAOYSA-N 441.571 6.451 30 10 IKEE N#C[C@H](C(=O)C=Cc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2324534781 KUYCFXBXSVIKGC-OAHLLOKOSA-N 433.747 6.660 30 10 IKEE COc1ccc(OC)c(C=C2Oc3cc(OCCCOc4cccc(C)c4)ccc3C2=O)c1 2324561746 STYNHMXSJZVOTF-UHFFFAOYSA-N 446.499 5.476 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCCC(=O)OCCC(C)C)cc(C)c2C1=O 2325104192 YLAJPEHBSOXKLG-UHFFFAOYSA-N 438.520 5.368 30 10 IKEE Cc1cc(OCc2nc(O)c3ccccc3n2)cc2c1C(=O)C(=Cc1ccc(Cl)cc1)O2 2325204209 VBSDRCKEXZDBKN-UHFFFAOYSA-N 444.874 5.492 30 10 IKEE C[C@@H]1C[C@](C#N)(Cc2ccc(I)c(Br)c2)CCS1 2325257516 YJKRCLKPXKEHFA-YGRLFVJLSA-N 436.156 5.022 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCC(=O)Nc4c(F)cccc4F)cc(C)c3C2=O)c1 2325511695 MHQBGAOHQVROFL-UHFFFAOYSA-N 435.426 5.215 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCC(=O)Nc4ccc(Cl)cc4)cc(C)c3C2=O)c1 2325513864 LNGOABIKCKPWKV-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(Cl)cc1 2325532223 NMPWUKIHEXRJIM-UHFFFAOYSA-N 434.996 6.602 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(Cl)cc1Cl 2325571512 MSXOZPJFQCMWML-UHFFFAOYSA-N 439.799 6.365 30 10 IKEE O=C(C=Cc1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 2325669322 QVHUFBVVTJGDNS-UHFFFAOYSA-N 426.299 5.793 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(N(C)C)cc3)c2)cc1 2325704674 MVLBCFYLMUMRLK-UHFFFAOYSA-N 429.516 5.439 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)c2)cc1 2325705621 APNQPMWBFUQKEB-NRFANRHFSA-N 442.555 6.641 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(C(F)(F)F)cc2)c1)c1ccc([N+](=O)[O-])cc1 2325722566 PVBNWPYTKCURCJ-UHFFFAOYSA-N 441.361 5.729 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1OC(=O)c1ccc(C)cc1 2325736681 YFXZZQLEPCTPSZ-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2cccc3ccccc23)c1)c1ccc(Cl)c(Cl)c1 2325737173 KMPDTUBFMAEVRM-UHFFFAOYSA-N 447.317 7.262 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)c1C 2325737963 YSPWCINTQDPRTN-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE CCc1ccccc1OCC(=O)Oc1cccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)c1 2325746443 XCYPDMBVBNTGBS-UHFFFAOYSA-N 442.555 6.427 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)C(F)(F)F)c2)cc1 2325751778 IYYDVCXHVSBVDR-UHFFFAOYSA-N 434.454 6.400 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1c(F)cccc1Cl 2326450881 ZOXBUQKEAMXCSZ-UHFFFAOYSA-N 430.980 6.205 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccc(F)cc2)cc1C 2329395603 RLSWBIWEFOPTQI-UHFFFAOYSA-N 448.542 5.938 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1cn(C)c2ccccc12 2329421949 VNSPDOBEFJSRQZ-UHFFFAOYSA-N 429.593 5.528 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccccc3)nnc2-c2ccccc2Cl)cc1 2329573744 QDOJHTJBGGQPQR-UHFFFAOYSA-N 448.979 6.172 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3F)n2N=Cc2ccc(F)cc2)c1 2329717191 KADLVZABYJVBRM-UHFFFAOYSA-N 434.515 5.630 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(O)c(O)c1 2330078898 YCNGBVQPMVUKBJ-MRXNPFEDSA-N 448.523 5.155 30 10 IKEE Fc1ccccc1CSc1nnc(Cc2cccs2)n1N=Cc1cccc(Cl)c1 2330393326 UDWWQODLANNTQI-UHFFFAOYSA-N 442.972 5.897 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1ccc(F)c(F)c1 2330676087 KMAJUEABJYFYAG-UHFFFAOYSA-N 444.433 6.242 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)c1ccccc1 2330906155 IVQPIGCKPCCDEN-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccccc3Cl)cc2Cl)cc1 2330913381 YIWNROGAJIHYJD-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 2331018068 NYUAKNYLLNKOCH-UHFFFAOYSA-N 445.471 5.428 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)c2ccc3nc(C)c(C)nc3c2)cc1 2331051473 YGPPARNBBQKJSH-UHFFFAOYSA-N 438.483 5.371 30 10 IKEE Brc1cccc(C=Nn2c(SCc3ccccc3)nnc2C2CCCC2)c1 2331069654 HYPXYJYZCRTDMP-UHFFFAOYSA-N 441.398 5.873 30 10 IKEE Clc1ccc(CSc2nnc(C3CCCC3)n2N=Cc2c[nH]c3ccccc23)cc1 2331086459 NXGSHWYYTVAFEE-UHFFFAOYSA-N 435.984 6.245 30 10 IKEE Fc1ccccc1CSc1nnc(C(F)(F)F)n1N=Cc1cccc2ccccc12 2331138123 UEYYGQAOEQCKCE-UHFFFAOYSA-N 430.430 5.764 30 10 IKEE FC(F)(F)c1nnc(SCc2ccccc2Cl)n1N=Cc1cccc(Cl)c1 2331142344 WOUSJGAGWOEJCF-UHFFFAOYSA-N 431.270 5.778 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(C)c3)c(OCC)c2)cc1 2331208243 ABDNVDQQAAHMCZ-UHFFFAOYSA-N 430.500 5.908 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 2331236548 DXDUCWGYBRXJET-UHFFFAOYSA-N 442.555 6.725 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccccc2C)c([N+](=O)[O-])c1 2331362717 HXOFWCIQYCUYMK-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCO4)cc2Cl)c1 2331439851 WKJFICVIDJHCPT-UHFFFAOYSA-N 434.875 5.801 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(C)c3)c([N+](=O)[O-])c2)cc1F 2331457910 WMHIXKUXAQFGBJ-UHFFFAOYSA-N 435.407 5.166 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(CC(C)C)n2N=Cc2ccccc2C)c(C)c1 2331474010 WLSMWQADRSXGKB-UHFFFAOYSA-N 435.597 5.015 30 10 IKEE COCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(C(F)(F)F)cc1 2331577873 DXJUPZPOTVSGQS-UHFFFAOYSA-N 440.878 5.271 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1 2331643753 MGUCMTOXEPNCNO-UHFFFAOYSA-N 448.946 6.698 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 2331716299 NIXUSVCMYWHAFW-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE CSc1nnc(C2CC2)n1N=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2331716681 YTOMYLUKACOCPG-UHFFFAOYSA-N 433.364 5.645 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3F)cc2)c2ccccc12 2331866083 YUVNBXPVUGYZTG-UHFFFAOYSA-N 426.443 6.103 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)ccc1OC(=O)c1ccncc1 2331869984 FYIZZCZIYHSBIA-UHFFFAOYSA-N 439.467 5.367 30 10 IKEE C[C@H]1CCN(Cc2ccccc2)C[C@@H]1Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339574604 KIOJYSXRLYFELY-CNRLFXKBSA-N 433.405 5.049 30 10 IKEE Cc1c(NC(=O)OC(C)(C)C)cccc1C(=O)N1CC[C@@](C)(B2OC(C)(C)C(C)(C)O2)C1 2342471354 RDZIOFAWQSFZOM-XMMPIXPASA-N 444.381 5.040 30 10 IKEE CC(C)=CCC/C(C)=C/CC/C(C)=C/CCCN(C)CC/C=C(\C)CC[C@H]1OC1(C)C 5158554 QVSSLEUYYYXQOL-CEIVSQKNSA-N 429.733 8.412 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 5927186 HJDPGQNIXYSTOK-QHCPKHFHSA-N 447.918 5.830 30 10 IKEE CCc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(N(C)C)cc2)C3)cc1 21247739 UHDWQMIDCMXSKD-PZGXJGMVSA-N 437.587 6.295 30 10 IKEE COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2OC)C3)ccc1O 21259602 OQEUMQVTJFAVEE-CBZJRKILSA-N 442.515 5.389 30 10 IKEE CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccccc2C)c1-c1ccc(C#N)cc1 25142935 LIZIBMMDNJRBMY-UHFFFAOYSA-N 437.543 6.377 30 10 IKEE CC/N=C1/S/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)C(=O)N1CC 33347735 FXLCHAHQBTVRRJ-SXZIKPQKSA-N 444.984 5.630 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1cn(C)c4ccccc14)C3=O)CN(Cc1ccco1)CO2 41589012 OAKBYUNZCIWZLL-KSEXSDGBSA-N 426.472 5.048 30 10 IKEE CCCCCCCOc1ccc(C2C(C(=O)OCC)=C(C)NC(C)=C2C(=O)OCC)cc1 59089903 RSEDLBYBYOUIEB-UHFFFAOYSA-N 443.584 5.397 30 10 IKEE CCC/C=N/Nc1nc(SCC(=O)Nc2ccccc2SCc2ccccc2)n[nH]1 59311738 TXEMOLYOQFXCGU-LPYMAVHISA-N 440.598 5.026 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OC(=O)c4ccccc4C)ccc3C2=O)cc1 62883567 OAKNSXICYMZWED-XYGWBWBKSA-N 427.500 5.677 30 10 IKEE CCCCCCCOc1cccc(NC(=S)NC(=O)c2cccc(Br)c2)c1 100448106 ZBZSCTSUARZFEX-UHFFFAOYSA-N 449.414 5.925 30 10 IKEE CCCCCCCOc1ccc(C(=O)N(Cc2ccc(Cl)cc2)C[C@@H]2CCCO2)cc1 101353368 HUNOHEASPFSJFX-VWLOTQADSA-N 444.015 6.511 30 10 IKEE CCCCCCCCCCCCCCCCn1c(CNC(=O)COC)nc2ccccc21 102216473 FMZOFNPGCGTRMQ-UHFFFAOYSA-N 443.676 6.780 30 10 IKEE COc1cc(Br)c(OC[C@@H](CS)c2ccccc2)cc1Br 125234728 VETKRSJEJPRJPI-LBPRGKRZSA-N 432.177 5.313 30 10 IKEE CC(C)c1ccc([C@@H](C#N)C(=O)c2cc(Br)c(Br)s2)cc1 128471031 GYAZSLRFVYLOSN-GFCCVEGCSA-N 427.161 5.887 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@@H](c2cccc(OCc3ccc(C)cc3)c2)NC(=S)N1 169937852 XDBZISRBXAGZDH-XMMPIXPASA-N 428.557 5.250 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@@H]2c2cccnc2)cc1 170009487 OWBSPHMDRUNNMP-JOCHJYFZSA-N 448.906 5.225 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(O)c(Cl)c2)cc1 170040929 UPMAKBXTQYLZPG-JOCHJYFZSA-N 449.890 5.227 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2ccccc2)=C(N2CCc3ccccc32)C1=O 170041331 JIUIMPRXZLKNPP-UHFFFAOYSA-N 430.592 5.970 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(C(C)C)cc2)cc1C 170066512 VPHUKMCIMFELOX-UPVQGACJSA-N 433.548 5.184 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)[C@@H]1c1ccco1)c1ccc(F)cc1 170095363 SCGATYOERVEFIK-GOSISDBHSA-N 431.341 5.220 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)CCc2ccccc2)=C(O)C(=O)N1Cc1ccc(F)cc1 170108178 DRECBTDMADXYTB-QFIPXVFZSA-N 435.520 5.293 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)cc1 170137439 FGSZFJCFYDKUQC-IBGZPJMESA-N 434.319 5.468 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2cccs2)c1 170156633 OYDMBCGVZMNDJX-QFIPXVFZSA-N 433.529 5.627 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccs2)c1 170162373 RXWQQMKYLFNAKI-OAQYLSRUSA-N 437.517 5.154 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1ccc(F)cc1)c1ccc2c(c1)CCCC2 170239192 HTMBZJDKCFKLII-DEOSSOPVSA-N 443.474 5.193 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(F)cc2)ccc1Cl 170244065 DAVTYRZMFVHFDI-OAQYLSRUSA-N 443.902 5.399 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@@H]1c1ccccc1F 170249811 KKBVGSRMPIGIDC-DEOSSOPVSA-N 443.474 5.242 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC)c2)[C@H]1c1c[nH]c2ccccc12 170255955 PWDMHBXOKNSQBM-HSZRJFAPSA-N 432.520 5.335 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccco2)c1 170280919 ORRJMOXCPSCNOG-XMMPIXPASA-N 445.515 5.973 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2C2CCCCC2)o1 170308202 UMNAHLPHVFRBBJ-LJQANCHMSA-N 444.325 5.262 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)cc(OC)c3o2)[C@@H]1c1sccc1C 170319156 IAJSURIOKNGNSA-QGZVFWFLSA-N 445.924 5.453 30 10 IKEE CCOc1cc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(C)c(C)c2)ccc1OC 170440089 IAAUARBOIMYLKS-QFIPXVFZSA-N 437.536 5.226 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(N(CC)CC)cc2)cc1 170452818 ODPJCLFIULFZGK-DEOSSOPVSA-N 444.531 5.471 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1cccc(Oc2ccccc2)c1 170455974 LLKOLMRILJTVRU-HSZRJFAPSA-N 445.490 6.133 30 10 IKEE C=CCc1c(OCc2ccccc2)c(Br)cc2c1[C@@H](CCNC(=O)CC)CC2 198543824 DVFZQAWYEJXGJV-GOSISDBHSA-N 442.397 5.703 30 10 IKEE CCCC[C@@H]1S/C(=N/N=C/c2ccc(Br)cc2)N(Cc2ccccc2)C1=O 229295463 HNCZVNSWRRRRSL-RDSDJNLHSA-N 444.398 5.473 30 10 IKEE C(=Nc1ccc2c(c1)oc1ccccc12)c1ccc(Sc2nnnn2-c2ccccc2)o1 252617464 KTGFLPYFSHMHSY-UHFFFAOYSA-N 437.484 6.057 30 10 IKEE COc1ccc(N=C2S/C(=C/c3ccc(OCc4ccc(F)cc4)cc3)C(=O)N2C)cc1 252630666 VCUUGNMDCWTESF-ZRAGWZJNSA-N 448.519 5.647 30 10 IKEE CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)C1=NNc1cccc(C(F)(F)F)c1 252643818 ZXFFUMKBNARTBI-UHFFFAOYSA-N 429.427 5.020 30 10 IKEE CCOc1ccc(NC(=O)c2c(N=Cc3ccc(N(C)C)cc3)sc3c2CCC3)cc1 254450174 SCJGCKQBZBFASA-UHFFFAOYSA-N 433.577 5.704 30 10 IKEE CC[C@]1(C)Cc2ccccc2-c2nc(NN=Cc3ccccc3)n(Cc3ccccc3)c(=O)c21 254841767 VGMVHAIFVLXYMA-GDLZYMKVSA-N 448.570 5.628 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1cn(C)c2ccccc12 526809283 HXIWETQVMFGZAD-YSMPRRRNSA-N 431.609 5.904 30 10 IKEE CCCOc1cccc(/C=N\n2c(CC)nnc2SCc2c(F)cccc2Cl)c1 526817838 ZVVQMWBVBSEXDX-CFRMEGHHSA-N 432.952 5.596 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1cn(C)c2ccccc12 526823364 IUAJCIYSQFKGJM-RMORIDSASA-N 430.364 5.560 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@H]2Nc1ccc(Br)c(C#N)c1 690218605 OLGFGVBNMIZXIT-LJQANCHMSA-N 428.330 5.767 30 10 IKEE CCC[C@@H]1CC[C@H](C#N)[C@@H]([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)C1 700361386 ZEGISDNGHKYMSK-NDOYXKHWSA-N 446.547 5.334 30 10 IKEE CCCCCCCCCCCC[C@H](CN(Cc1ccccc1)C(=O)OC(C)(C)C)NCC 701432794 YCSGMVBKXJTYAU-AREMUKBSSA-N 446.720 7.713 30 10 IKEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2cc(O)nc3ccc(Br)cc23)c1 737541626 OBAZGJVWIZMJAF-UHFFFAOYSA-N 447.288 5.124 30 10 IKEE Cc1cc2c(cc1C)n1c(C(=O)/C=C/c3ccc(N(C)C)cc3)c(-c3ccccc3)nc1n2C 1081102082 MKZRGQOENWGTSN-DTQAZKPQSA-N 448.570 6.072 30 10 IKEE Cn1ccnc1Sc1ccc(C=Nc2cccc3c2oc2ccccc23)cc1[N+](=O)[O-] 1084163539 SHKKYFZNBPYFSJ-UHFFFAOYSA-N 428.473 6.130 30 10 IKEE COc1ccc(C=NNc2nc3ccccc3s2)cc1COc1ccc([N+](=O)[O-])cc1 1084345224 JGFDQPNTJQTHBM-UHFFFAOYSA-N 434.477 5.238 30 10 IKEE O=C(/C=C/c1ccc2c(c1)OCO2)c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 1088645263 YQKXGLNORCONFJ-UNXLUWIOSA-N 439.876 6.024 30 10 IKEE C=CCCCCCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(C)CCCC1 1760419626 XXCZBFSMVQHHLP-UHFFFAOYSA-N 434.588 5.357 30 10 IKEE C/C(=C1\SC(=Nc2cccc(C(=O)O)c2)N(C2CCCCC2)C1=O)c1ccc(O)cc1 1772736447 MHXQOJBMWCAAIF-QGJBXVFPSA-N 436.533 5.417 30 10 IKEE CCc1ccc(-n2cc(/C=N\NC(=S)Nc3cccc(F)c3)c(-c3ccccc3)n2)cc1 1857809979 KOUZPALHPSTDAX-YUMHPJSZSA-N 443.551 5.561 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)CCCOc1ccccc1C 1861707062 VKRRRZPFFPMRIT-HSZRJFAPSA-N 432.649 5.696 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CCC)c1 1862386358 LVFXBXPVQBMOHY-FQEVSTJZSA-N 448.346 5.771 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccccc1 1862429925 XSGHOLQSCVOILJ-QFIPXVFZSA-N 425.956 6.279 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)cc1 1862445511 XJOVCRYPRCTZOQ-XORNHQRDSA-N 437.967 6.059 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2cccc(Cl)c2)cc1 1862516887 ZORAFYYVCQNFIU-QVKFZJNVSA-N 427.928 5.506 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862560854 NLRLVSGPWABGLO-DEOSSOPVSA-N 426.516 5.171 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCc2ccc(C)cc2)cc1 1862590626 MFGAZGGXUAICFQ-RUZDIDTESA-N 441.527 5.084 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@@H]1c1ccc2cc[nH]c2c1)c1cccc(O)c1 1862597561 ZZFIUPQHQJUROT-XMMPIXPASA-N 442.515 5.342 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1cccc(C)c1 1862614004 VLZHMESBIWXHQK-HSZRJFAPSA-N 435.564 5.297 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCC(C)C)cc1 1862618686 HHRKHZIUKLIKEG-DEOSSOPVSA-N 449.591 6.007 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(Cl)cc1 1862659981 CYYPZYVFWBLEDL-QHCPKHFHSA-N 439.983 6.622 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2cccc(O)c2)cc1 1862663661 VMHRELGSJIJVGS-BVZFJXPGSA-N 441.527 5.855 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1Cl 1862675478 LVLZXCZSZSEYHU-MMACOIQUSA-N 427.903 5.636 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2Cc2cccnc2)cc1 1862715545 OSSHTHUPSZIOHK-AREMUKBSSA-N 448.522 5.576 30 10 IKEE CCOc1ccc(NC2=C(c3ccccc3Cl)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1863077739 YLBMXAUWAFMYAV-UHFFFAOYSA-N 443.890 5.007 30 10 IKEE CCc1nc(Nc2ccc(C#N)cc2)cc(N2CCc3ccccc3[C@@H]2c2cccc(F)c2)n1 1868290970 CXQVLLXZRVIWPT-NDEPHWFRSA-N 449.533 5.945 30 10 IKEE CCCCCCCCn1cc(OCCCCC)c(=O)cc1CSc1ccc(C)cc1 1870188956 WYNXUNOPDMTZRB-UHFFFAOYSA-N 429.670 7.379 30 10 IKEE C=CCOc1cn(CCCCCC)c(CSCCc2nc3ccccc3[nH]2)cc1=O 1870244800 IPAVYHRTEBNGLW-UHFFFAOYSA-N 425.598 5.346 30 10 IKEE CCCCCCCOc1cn(Cc2cccnc2)c(CNc2ccc(C)c(C)c2)cc1=O 1870830789 ZCJQAERFZOBAAH-UHFFFAOYSA-N 433.596 5.870 30 10 IKEE CCCCCCCOc1cn(CCCO)c(CNc2ccc(Cl)c(Cl)c2)cc1=O 1870837559 MAQUEDWFRHDZNG-UHFFFAOYSA-N 441.399 5.499 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2)c(=O)cc1CNc1cccc(F)c1 1870898354 ODZXRNZOUSSJID-UHFFFAOYSA-N 436.571 6.539 30 10 IKEE CCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1cc(Cl)cc2c1OCOC2)C3=O 1871346764 WDCIGIIGJZBHGS-UKWGHVSLSA-N 441.911 5.083 30 10 IKEE CCc1ccc([C@H](C)N2COc3cc(C)c4c(c3C2)O/C(=C\c2ccc(C)o2)C4=O)cc1 1871354701 YKVVYLXKQGMKAV-DNNAEVNTSA-N 429.516 5.988 30 10 IKEE CC(C)=C1Oc2c(ccc(OC(=O)CCCOc3ccc(Cl)cc3Cl)c2C)C1=O 1871364461 DZBGFSQJDXOIPR-UHFFFAOYSA-N 435.303 5.935 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(Br)cc2)C3=O)cc1C 1871372692 GFUMAQMXTRMWAL-UUYOSTAYSA-N 449.300 5.901 30 10 IKEE Cc1c(OC(=O)Cc2cccc3ccccc23)ccc2c1O/C(=C\c1ccc(F)cc1)C2=O 1871376796 YPSSFXXFXHNYGS-MYYYXRDXSA-N 438.454 6.052 30 10 IKEE CCCOc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871387741 MRSQTHWHMPHONM-UCQKPKSFSA-N 432.447 5.758 30 10 IKEE Cc1cc(O)c(CN2C[C@H](C)C[C@@H](C)C2)c2c1C(=O)/C(=C/c1cn(C)c3ccccc13)O2 1871396323 AAUSMVDBEWCWNO-SJJGZAMRSA-N 430.548 5.286 30 10 IKEE Cc1cc(OCCCCOc2ccccc2)cc2c1C(=O)/C(=C/C=C/c1ccccc1)O2 1871403081 DNUKVPJKCGHJOB-YXTGAXEWSA-N 426.512 6.405 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OCC(=O)OCC(C)C)cc(C)c3C2=O)c2ccccc21 1871427885 YAGDMOJUVBFHEX-KSEXSDGBSA-N 433.504 5.164 30 10 IKEE COc1ccc(C)cc1NC(=O)COc1ccc2c(c1)O/C(=C\c1sccc1C)C2=O 1871428558 IXQKJYRKPUUMQO-MTJSOVHGSA-N 435.501 5.007 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(Cl)cc2)[nH]c(N2C[C@@H](C)O[C@H](C)C2)n1 1871524118 RPQMQTFZPVHLNW-QZTJIDSGSA-N 447.027 5.077 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cccc(Cl)c1C)c1ccccc1)S(=O)(=O)CCCC 1872433124 IFQAXLGQWGFTLH-JOCHJYFZSA-N 449.016 5.336 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccc(C)cc1 1872446615 JDBLTYMVBPWGRN-XMMPIXPASA-N 442.625 5.493 30 10 IKEE CC(=O)Nc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 1872772290 CBUBPVLRYBSWIM-OAQYLSRUSA-N 431.561 5.485 30 10 IKEE CCCCCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1 1872777512 PLWKHWRVSBPKDO-OAQYLSRUSA-N 443.572 6.741 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(C(C)(C)C)cc3)n2)c(C)c1C 1872778092 CYLWESLNSWDDNC-XAYKGCCJSA-N 444.600 6.623 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)c(C)c2)cc2c(NCCCOC(C)C)ncnc21 1873628886 YYPOLOAFXDFTKA-UHFFFAOYSA-N 441.963 5.058 30 10 IKEE C=CCn1c(C(=O)Nc2ccc3n[nH]cc3c2)cc2c(NCCC3=CCCCC3)ncnc21 1873639390 PMTLTCGFUGMAMJ-UHFFFAOYSA-N 441.539 5.048 30 10 IKEE CCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccc(C(C)C)cc1 1874215973 JCZGBRNIQMADBM-PCLIKHOPSA-N 443.016 6.061 30 10 IKEE CCCOc1ccccc1/C=N/n1c(CCCOc2ccccc2C)nnc1SCC 1874248496 NIJJMBVPZKGWNZ-XIEYBQDHSA-N 438.597 5.381 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1c(F)cccc1Cl 1874287703 SQISZHICECLIFV-MFKUBSTISA-N 435.012 6.695 30 10 IKEE Cc1ccc(OCc2nnc(SCc3cccc(F)c3)n2/N=C/c2cccn2C)cc1C 1874319170 DNQQDEBDDBBWHK-VULFUBBASA-N 449.555 5.126 30 10 IKEE CCSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1c(Cl)cccc1Cl 1874320749 IFAUMDJDZXYNGJ-FOKLQQMPSA-N 435.380 5.775 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccccn2)c(C)c1 1874327335 IUQVTRSKOWGTJU-CVKSISIWSA-N 429.549 5.043 30 10 IKEE Cc1ccc(CCc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccco2)cc1C 1874330706 AOAREHWCBDACEC-CVKSISIWSA-N 434.540 5.587 30 10 IKEE C=C(C)CSc1nnc(CCc2cccs2)n1/N=C/c1c(OC)ccc2ccccc12 1874371836 UKCCCPJSVMMKJH-MFKUBSTISA-N 448.617 5.837 30 10 IKEE CCCSc1nnc(Cc2cccs2)n1/N=C/c1ccc(OCC)c(OCC)c1 1874413965 USUNOYGMSLSJMR-PXLXIMEGSA-N 430.599 5.112 30 10 IKEE CCCOC(=O)CSc1nnc(-c2cccs2)n1/N=C/c1ccc(C(C)C)cc1 1874424918 JNYHELLYJQOJJY-LPYMAVHISA-N 428.583 5.058 30 10 IKEE FC(F)(F)c1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1c[nH]c2ccccc12 1874461828 CIGDAHSYORMVEU-KIBLKLHPSA-N 435.862 5.606 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C(C)(C)C)c1 1874485404 SLENTXNXEVBYNA-ZVHZXABRSA-N 428.989 5.802 30 10 IKEE O=[N+]([O-])c1cc(/C=N/n2c(SCc3ccccc3F)nnc2C2CCC2)ccc1Cl 1874495345 GPOWIMJTGJIFHI-FOKLQQMPSA-N 445.907 5.421 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(C2CCC2)n1/N=C/c1ccc(Cl)cc1 1874499449 RAIDYPRWZOELOE-BHGWPJFGSA-N 435.355 6.166 30 10 IKEE Cc1ccc(COc2ccc(/C=N/n3c(C)nnc3SCc3cccc(C)c3)cc2)cc1 1874530305 BXWJYXVKNBZRJH-JVWAILMASA-N 442.588 5.957 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C/C(=O)c2ccc3c(c2)OCO3)cc1 1874582847 JOTQCYYAJGHZIZ-RUDMXATFSA-N 449.890 5.291 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(OC)c1OCC(=O)N(CC)CC 1874605362 XIFMACFUBJXSQI-DTQAZKPQSA-N 435.564 5.129 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3cccc4ccccc34)c(Cl)c2)cc1C 1874606902 MHHQCRBZCLENOQ-JLHYYAGUSA-N 442.942 7.285 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1)Nc1ccccc1 1874609981 UWSJLBPORPHFIB-SDNWHVSQSA-N 436.305 5.363 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OCc1ccccc1Cl 1874628554 JVFYSDAAVPYAQO-FMIVXFBMSA-N 436.935 6.449 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OCc1ccc(Cl)cc1 1874631497 GEWWBFHRKZJLHE-XYOKQWHBSA-N 436.935 6.449 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(OC)c1OCc1cccc(F)c1 1874634244 RRTBRUVVRISZLW-MDZDMXLPSA-N 434.507 6.243 30 10 IKEE CCc1ccccc1OCC(=O)Oc1cccc(/C=C/C(=O)c2ccc3ccccc3c2)c1 1874693859 ZPKJFTFFEDOKRG-SAPNQHFASA-N 436.507 6.283 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(F)c(F)c2F)c1)c1ccc2ccccc2c1 1874693861 ZUNMYNQKSBLOLU-MDWZMJQESA-N 432.397 6.372 30 10 IKEE COc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccccc3Cl)c2)cc1[N+](=O)[O-] 1874697013 RGEYRIJWCQPPTL-PKNBQFBNSA-N 437.835 5.372 30 10 IKEE Cc1cc(C(=O)/C=C/c2cccc(OC(=O)c3ccccc3-c3ccccc3)c2)ccc1F 1874703924 ODPUNWBPZXNRHN-SAPNQHFASA-N 436.482 6.916 30 10 IKEE COc1cccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)c2)c1 1874706292 YYJCKSZXLGQTQO-GZTJUZNOSA-N 442.555 6.427 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC(=O)Cc2ccccc2Cl)c1 1874715515 DRTNGUBNUCTWMO-FYWRMAATSA-N 446.974 6.990 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)CC3CCCCC3)c2)c(OC)c1OC 1874717443 SYCHBDAFYWTFLR-WYMLVPIESA-N 438.520 5.484 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(-c3ccccc3)cc2)CSc2nnc(C)n21 1874825515 QCENXZKBLAYRNY-DEOSSOPVSA-N 448.636 6.316 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(OC)c3)cc2)cc1 1875098695 HWBDLANZRCJFAI-VIZOYTHASA-N 432.472 5.218 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)[C@@H](C)c2ccccc2)c([N+](=O)[O-])c1 1875119545 ZZRJSHFUDNSLJK-VSOYFRJCSA-N 431.444 5.209 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)Cc1ccc(F)cc1F 1875119973 VWDUICSDJJSZTP-YRNVUSSQSA-N 438.426 5.026 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2-c2ccccc2)cc1)c1ccc(F)cc1F 1875120585 ZUEXRHKLTOGTJM-SFQUDFHCSA-N 440.445 6.747 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)c1ccc(F)cc1F 1875139808 BCNPHPAWFAEXIH-YRNVUSSQSA-N 436.454 6.096 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3OC)cc2OC)c1 1875144635 XVYBNSPUIDJXEJ-ZRDIBKRKSA-N 446.499 5.526 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc(F)c2)c(Cl)c1)c1ccc2c(c1)OCCO2 1875146294 NFRPQARDEMSMIO-QPJJXVBHSA-N 438.838 5.366 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)c1cccc(F)c1 1875158569 BTQBOLDBGDEBJW-MDWZMJQESA-N 434.438 5.817 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3)c(OC)c2)c(OCC)c1 1875179530 OITNJTRZCSAMQQ-RVDMUPIBSA-N 446.499 5.608 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc(Cl)c1OC(=O)C(C)C 1875190102 GIYVVFJNCFFNMI-PKNBQFBNSA-N 438.907 5.968 30 10 IKEE C=C(c1ccccc1)[C@H](NCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 1888711518 KAQAYNXHQKYPCH-VWLOTQADSA-N 449.639 5.237 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cc(C)nc4c(C)cccc34)ccc21 1890732908 HRQHXGGZVYBSIN-UHFFFAOYSA-N 429.520 5.042 30 10 IKEE CCN(CC)c1cccc(OCC#CCNC(=O)c2sc3ccccc3c2Cl)c1 1891452679 NTRJQERUEYHUCT-UHFFFAOYSA-N 426.969 5.213 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C)NCCC 1922094784 NYKUDIDFCVKVCC-AAZCMCCISA-N 442.644 5.696 30 10 IKEE C=C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C1CC1)[C@@H](CC(C)C)C(=O)O 1927550283 KESGPCQUBBCPLH-IGKIAQTJSA-N 433.548 5.607 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]12CC[C@@H](C[C@H]1NC(=O)OC(C)(C)C)C2 1998056635 KLSHRFZDJXQCER-DUOVIKOCSA-N 428.617 5.211 30 10 IKEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 1999931176 MOHZKDJWHNNAQA-HOYKHHGWSA-N 429.561 5.357 30 10 IKEE C=CCCCCCC[C@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCC 2026013208 VUJBAFDYKZFDCF-DNQXCXABSA-N 432.649 5.991 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCC[C@H]1CNC(=O)OC(C)(C)C 2032222160 CHZOQOOELVNHAL-BXKMTCNYSA-N 445.560 5.024 30 10 IKEE CC[C@@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)CN1C(=O)OC(C)(C)C 2040670848 LPZKZPLXPHPPKP-KOSHJBKYSA-N 447.551 5.639 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 2041560223 QCTQICGGWHTUMD-KBMIEXCESA-N 449.636 5.876 30 10 IKEE C[C@@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)[C@@H](OCc2ccccc2)C1 2043773938 LZWBIKLKGBMLLM-FRPAHBMMSA-N 438.543 6.235 30 10 IKEE C[C@]1(Nc2ccc(C#N)c(Br)c2F)CCCN(C(=O)OCc2ccccc2)C1 2043969816 BOQWIAMIDDNPLY-NRFANRHFSA-N 446.320 5.063 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)cc(Br)c1)NCC 2047968714 UUAOCIOZXWMHMY-DLBZAZTESA-N 431.802 5.093 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](N)c2c(Br)ccc(Cl)c2F)C1 2063051898 KXWGSYJSQFQRNG-OAHLLOKOSA-N 433.749 5.103 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 2070325481 FDXXIQDBUNTIMS-GIRPNKPCSA-N 432.564 6.014 30 10 IKEE Cc1ccc([C@H](n2nc(C(C)C)c(C#N)c2I)C2(C)CC2)c(F)c1 2079042787 QFDIVNVDFVIFTN-KRWDZBQOSA-N 437.300 5.320 30 10 IKEE Cc1ccc([C@H](n2nc(C(F)F)c(C#N)c2I)C(C)(C)C)c(C)c1 2079088148 XNMWCAQSCLQYTM-HNNXBMFYSA-N 443.279 5.549 30 10 IKEE CC(C)(C)c1nn(-c2cc(C(F)(F)F)ccc2F)c(C(F)(F)F)c1Br 2079130474 CSOPGUKIPFQDSI-UHFFFAOYSA-N 433.165 6.109 30 10 IKEE CC(C)(C)[C@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)(F)F)c(C#N)c1Cl 2080054309 OKPDJARWHGZBGN-ZDUSSCGKSA-N 427.751 6.220 30 10 IKEE Cc1c(NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cccc1NC(=O)OC(C)(C)C 2094847036 KLFMHEOJYCSEJT-UHFFFAOYSA-N 438.377 5.253 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1cnc(C2CC2)s1 2116333498 MSIIHDCMSATBHB-OAHLLOKOSA-N 434.359 5.789 30 10 IKEE C=CCC[C@H](C)[C@H](NCCC)c1ccc(Br)cc1I 2142286698 GZZQKFYDDVHBQG-LRDDRELGSA-N 436.175 5.697 30 10 IKEE CC1(C)CC2(CC([C@H](C#N)N(C(=O)OC(C)(C)C)c3ccc(Br)cc3)C2)C1 2158844671 KEBNMGWHZPNDJY-SFHVURJKSA-N 433.390 6.299 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCC[C@@H]2Nc2cc(Br)cc(C#N)c2)CC1 2162398401 UUJINSBIIWHVIW-SFHVURJKSA-N 434.378 5.302 30 10 IKEE C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)Nc1ccc(C#N)c(Br)c1F 2162423438 SNRLZYDIUGYOAN-ZUOKHONESA-N 440.357 5.345 30 10 IKEE N#Cc1cc(F)c(N[C@H]2CCN(Cc3ccccc3)C3(CCC3)C2)cc1Br 2173445950 VBTVFKNOOITMRU-SFHVURJKSA-N 428.349 5.459 30 10 IKEE CC1(C)OB([C@@H]2[C@@H]3CN(Cc4c(Br)sc5ccccc45)C[C@@H]32)OC1(C)C 2233007390 XTPMPUWWXSUTLC-XOIINTDNSA-N 434.208 5.188 30 10 IKEE CC(C)(C)OC(=O)NCC1CCC(CC(=O)C#Cc2ccccc2Br)CC1 2235721777 JEPVYPGQNFGFQA-UHFFFAOYSA-N 434.374 5.091 30 10 IKEE CCCCC#CC[C@H](NC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237432228 UZERMGSYGDDVRE-PMACEKPBSA-N 437.422 5.057 30 10 IKEE CC[C@H](C)N(Cc1ccccc1)C(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1Cl 2256016859 OFPQSMCOCUWVIP-INIZCTEOSA-N 445.771 5.219 30 10 IKEE CC(C)(C)OC(=O)NC[C@@]1(C)CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2258857642 RVPVJEFCADSJHZ-JWQCQUIFSA-N 449.636 5.924 30 10 IKEE C=C(COCC)[C@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2277278578 VIRBWPYOXCFWFI-NDEPHWFRSA-N 447.575 5.454 30 10 IKEE C=CC[C@@]1(COc2cc(Br)cc(F)c2N)CCCN(C(=O)OC(C)(C)C)C1 2287751474 LHBJFIIQKPHQFG-HXUWFJFHSA-N 443.357 5.143 30 10 IKEE C=CCC1(COc2cc(Br)c(C)cc2N)CCN(C(=O)OC(C)(C)C)CC1 2287838619 CGIQSSOUWFCGLV-UHFFFAOYSA-N 439.394 5.312 30 10 IKEE C=CCN1C(=O)C(=Cc2ccccc2OCCCOc2cccc(C)c2)SC1=S 2293509172 CWURBLNKVQJTKZ-UHFFFAOYSA-N 425.575 5.230 30 10 IKEE CCCCOc1ccc(N=Cc2ccc(C=Nc3ccc(OCCCC)cc3)cc2)cc1 2297672273 ZCOJWYWQHBXZLC-UHFFFAOYSA-N 428.576 7.546 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@H](C#N)[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C 2299178402 ZEDKNLLGRDWCND-MOPGFXCFSA-N 435.609 5.484 30 10 IKEE CC(C=Cc1ccccc1)=NNc1nc(SCC(=O)C2C3CC4CC(C3)CC2C4)n[nH]1 2313602121 MVEUJKLXLMNUSZ-UHFFFAOYSA-N 435.597 5.039 30 10 IKEE Cc1ccc(C)c(N=C2NC(=O)C(=Cc3ccccc3OCc3ccccc3Cl)S2)c1 2314557456 HPJAOKZGAMZXOX-UHFFFAOYSA-N 448.975 6.427 30 10 IKEE Cc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2cccc(F)c2)cc1 2318571014 AGOSIMPJIOJTSH-UHFFFAOYSA-N 430.552 5.685 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1cccc(Cl)c1Cl 2318574250 IMQDSWXFRQQQGH-UHFFFAOYSA-N 433.408 6.329 30 10 IKEE C=C(C)COc1cc(C)c2c(c1)OC(=Cc1cc(Br)cc3c1OCOC3)C2=O 2321734167 PSXDQQIKTMZENF-UHFFFAOYSA-N 443.293 5.195 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccc(C)c(C)c2)cc1 2322607087 HEUADVWAPXEZBG-UHFFFAOYSA-N 443.543 6.006 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2cccc(Cl)c2)c(OC)c1 2322904395 YLZDDTHJLWVXGA-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE CCCN(CCC)C(=O)COc1ccccc1C=CC(=O)c1cc(C)c(Cl)cc1OC 2322922774 WMDRZRLDICJTIK-UHFFFAOYSA-N 443.971 5.581 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cc(Cl)ccc2OCc2ccccc2Cl)cc1C 2322995834 XCSFJQKRHOLCNY-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2cccc(OCCc3ccccc3)c2)cc1 2323226213 IYWFXDNYBIGNNU-UHFFFAOYSA-N 442.599 7.553 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2cccc(OC)c2)cc1Cl 2323486361 XFAVPOSQSPYTHC-UHFFFAOYSA-N 429.944 5.272 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1)NC1CCCCC1 2323511857 YMPSVHUGCPOUMF-UHFFFAOYSA-N 432.347 5.717 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)C=Cc4cccs4)ccc3C2=O)c(OC)c1 2323517579 GJHBHKCHYBUPMU-UHFFFAOYSA-N 434.469 5.000 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)C(C)(C)Oc4ccc(Cl)cc4)ccc3C2=O)c1 2323708363 WREPFTKSRKFCDM-UHFFFAOYSA-N 448.902 6.028 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCCc1ccccc1 2323791235 FUEJEVCHAJAZRJ-UHFFFAOYSA-N 441.354 6.910 30 10 IKEE CCOc1cc(C=NNc2nc(-c3ccccc3)cs2)cc(Br)c1OCC 2323840694 LMKIQZOPLDYMLC-UHFFFAOYSA-N 446.370 5.816 30 10 IKEE C=CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2C)C3=O)cc1 2323866018 IGFHSMNBTIFLAG-UHFFFAOYSA-N 426.468 5.704 30 10 IKEE CCCCN(CC)Cc1c(O)cc(C)c2c1OC(=Cc1cn(C)c3ccc(OC)cc13)C2=O 2324123895 CREMQMMDLQOGCY-UHFFFAOYSA-N 448.563 5.439 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OCCCOc3ccc(Cl)cc3)cc(C)c2C1=O 2324561217 RKJGRCSWSUYEKG-UHFFFAOYSA-N 440.948 6.482 30 10 IKEE Cc1c(OCc2ccc(C#N)cc2)ccc2c1OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2324757109 PORJQOVAKVGHTP-UHFFFAOYSA-N 443.502 6.729 30 10 IKEE C=CCOc1ccccc1C=Nn1c(COc2c(C)cccc2C)nnc1SCCC 2325424685 PJCGDZZBBMBRMX-UHFFFAOYSA-N 436.581 5.423 30 10 IKEE Cc1cccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccc([N+](=O)[O-])cc2)c1 2325474494 JJJMWWPPWXGPSZ-UHFFFAOYSA-N 443.532 5.260 30 10 IKEE C(=Nn1c(Cc2ccccc2)nnc1SCc1cccc2ccccc12)c1ccccn1 2325491086 ZEKINQJXPWQISE-UHFFFAOYSA-N 435.556 5.592 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(F)cc3)c2)c(OCC)c1 2325762691 MZIAJDVOUYKPSM-UHFFFAOYSA-N 434.463 5.738 30 10 IKEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C2(CCCC2)C1 2326076695 QMFMDBGQKYNZLQ-AREMUKBSSA-N 442.600 5.232 30 10 IKEE CCCOc1cccc(C=Nn2c(COc3ccc(Cl)c(C)c3)nnc2SC)c1 2326492385 XSBCYGWBUFXJET-UHFFFAOYSA-N 430.961 5.212 30 10 IKEE Cn1cccc1C=Nn1c(Cc2cccc3ccccc23)nnc1SCc1ccccc1 2327751623 WAFPALUBKQLMTG-UHFFFAOYSA-N 437.572 5.535 30 10 IKEE CCCCC1CCC(c2nnc(SCc3cccc(F)c3)n2N=Cc2ccc[nH]2)CC1 2328140518 RECBTLPHRAUHNZ-UHFFFAOYSA-N 439.604 6.384 30 10 IKEE CCCSc1nnc(CC2CCCCC2)n1N=Cc1ccc(OCc2ccccc2)cc1 2330278918 WVZULXANCWCCNK-UHFFFAOYSA-N 448.636 6.364 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2ccccc2)nnc1-c1cccs1 2330582109 UJWIVZCLBUZYLX-UHFFFAOYSA-N 434.590 5.970 30 10 IKEE COCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1OC 2330801366 NBFXEGDOKRHIRM-UHFFFAOYSA-N 443.710 5.493 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@H]2C[C@H]2c2ccccc2Cl)cc1)c1ccc(F)cc1F 2331084373 KGRMLJNECJISGA-SFTDATJTSA-N 438.857 6.223 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1[N+](=O)[O-] 2331093872 AORHDLMEQIHIDC-UHFFFAOYSA-N 437.398 5.307 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cnccn2)c(Br)c1)c1cccc(Cl)c1 2331123974 VMGGZRWOUUEAEP-UHFFFAOYSA-N 443.684 5.008 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2[N+](=O)[O-])c(C)c1 2331170281 MGQHTUHDHOOLMM-UHFFFAOYSA-N 431.444 5.092 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)CCCSC)c(OC)c2)cc1 2331194194 VDOIXEHNIMONLG-UHFFFAOYSA-N 444.549 5.047 30 10 IKEE C=C(C)CSc1nnc(-c2ccco2)n1N=Cc1ccc(OCCC)c(OCC)c1 2331205255 VLRPJMMIGMZZPT-UHFFFAOYSA-N 426.542 5.276 30 10 IKEE Fc1ccccc1CSc1nnc(-c2ccco2)n1N=Cc1c(Cl)cccc1Cl 2331208292 LGHJUQOPGVJEGN-UHFFFAOYSA-N 447.322 6.159 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)COc1ccccc1 2331256042 QROJLWOSAHWRHJ-UHFFFAOYSA-N 436.891 5.538 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)cc3)c(Cl)c2)ccc1F 2331337241 KZIQMMCMROBWLX-UHFFFAOYSA-N 429.274 6.556 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)Cc2cc(C)ccc2C)c(Cl)c1 2331358636 XHDIBRFNLDYTHX-UHFFFAOYSA-N 448.946 6.318 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccs2)c(Br)c1)c1ccc(F)cc1 2331525658 GOGCIYGQCTWHSU-UHFFFAOYSA-N 431.282 5.765 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)COc1c(C)ccc(C)c1C 2331540150 OYPDNVYUXPFYML-UHFFFAOYSA-N 448.490 5.640 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc(F)c(F)c1 2331555169 GBOCAULECMFMSJ-UHFFFAOYSA-N 433.237 6.387 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C(C)C)c(OC)cc3C)cc2)cc1 2331571500 SAKVQSJVHACEGG-UHFFFAOYSA-N 444.527 6.251 30 10 IKEE CCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccccc1OC(C)C 2331640714 SHJPHKITVTWPMA-UHFFFAOYSA-N 439.541 5.101 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)COc2ccc(C)c(C)c2)cc1 2331659351 OCQACAUJVGEBAN-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)CC(C)(C)C)c(Br)c2)c(C)c1 2331768991 CURSLJOTYFPLIM-UHFFFAOYSA-N 443.381 6.612 30 10 IKEE SC[C@H](COc1cc(Br)cc(I)c1)c1ccccc1 2338895267 NTLGIMWOJGMPBQ-LBPRGKRZSA-N 449.151 5.146 30 10 IKEE CC1(C)OB(c2ccc(Oc3cc(Cl)cc(Br)c3)c(C#N)c2)OC1(C)C 2364928100 PCCJKGGDHMAFKR-UHFFFAOYSA-N 434.526 5.066 30 10 IKEE CCCCCCC[C@@H](NCC)[C@@H](O)c1sc(Cl)cc1I 2366653677 HDPFMFUOOQMKHN-TZMCWYRMSA-N 429.795 5.378 30 10 IKEE C=CCCCC[C@@H](NCCC)[C@@H](O)c1sc(Cl)cc1I 2366659943 JZDGEJPUUXZIRQ-TZMCWYRMSA-N 427.779 5.154 30 10 IKEE C=CCCCCC[C@@H](NCC)[C@H](O)c1sc(Cl)cc1I 2366672176 KMICGBMFDKOYHT-OCCSQVGLSA-N 427.779 5.154 30 10 IKEE C#CCOc1c(Cl)cc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)cc1OC 2864089 PDBQGNNADIOVED-WOJGMQOQSA-N 448.327 5.251 30 10 IKEE CCc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(SCc4ccccc4)nn32)cc1 19642023 OUZSHBZFICVFJJ-HSZRJFAPSA-N 444.604 5.791 30 10 IKEE Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2c(Cl)cccc2Cl)cc1 20883233 ZMVQCFXNIJVNDF-WGDIFIGCSA-N 449.381 7.281 30 10 IKEE Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(Cl)c(Cl)c2)cc1 21227300 LEMTYAUWXDMEOD-DWXRJYCRSA-N 449.381 7.281 30 10 IKEE Cc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)c(C)c1 21355929 WFQQXUQZBXQPTN-RUZDIDTESA-N 427.504 6.109 30 10 IKEE C[C@H](Nc1oc(-c2ccc(OCc3ccc(Cl)cc3)cc2)nc1C#N)c1ccccc1 39841558 GKUXDJJPFRUFEF-KRWDZBQOSA-N 429.907 6.619 30 10 IKEE CCOc1ccc(/C=C2\S/C(=N/c3cccnc3Cl)N(c3ccccc3)C2=O)cc1 39864074 OJGLKMDOKKCEPO-PKPRBZMYSA-N 435.936 5.942 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)Cc4ccc(OC)cc4)cc(C)c3C2=O)cc1 41358237 NWHJNKAUHRVAMT-OYKKKHCWSA-N 428.484 5.330 30 10 IKEE CCCCCCCNC(=S)NC(=O)c1cc(Br)ccc1OCC(C)C 100208821 BHZQWVNPXVNMFE-UHFFFAOYSA-N 429.424 5.059 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2cccc(Br)c2)cc1 100381445 AEWOQMCEQYBDPE-UHFFFAOYSA-N 449.414 5.925 30 10 IKEE CCCCCCCCCCCn1c(CCCNC(=O)c2ccccn2)nc2ccccc21 102110026 APFOVQJQFBVQHC-UHFFFAOYSA-N 434.628 6.325 30 10 IKEE O=C1/C(=C\c2cccc(Cl)c2)Oc2cc(OS(=O)(=O)c3ccc(Cl)cc3)ccc21 103023126 XPGHZIMFXBSDLN-RGVLZGJSSA-N 447.295 5.377 30 10 IKEE C=CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)[C@H](C)CC 105002348 VFRIOPBPRQZDCK-ZJSXRUAMSA-N 449.595 5.137 30 10 IKEE Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 136568738 INYJBGCDNSWFGT-NPJIAGGLSA-N 439.555 5.914 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2cc(C)cc(C)c2)cc1 169922248 FVFVCRXQAUNCKS-XMMPIXPASA-N 443.499 5.104 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 169926094 KFNFAOFLWJHQOD-JOCHJYFZSA-N 444.874 5.003 30 10 IKEE CCOc1cc([C@@H]2NC(=S)N(CC)C(C)=C2C(=O)c2ccccc2)cc(Cl)c1OC 169932031 SXRCVXNWUKWCRK-FQEVSTJZSA-N 444.984 5.155 30 10 IKEE CCN1C(=S)N[C@@H](c2cccc(OCc3ccc(Cl)cc3Cl)c2)C(C(C)=O)=C1C 169933413 NRMCTZGYIKUIMS-NRFANRHFSA-N 449.403 5.687 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@@H]1c1cccnc1)c1ccc(Cl)cc1 170004868 KOQFYBNMGIMZLG-LJQANCHMSA-N 443.261 5.310 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@@H]2c2ccncc2)c1 170017149 YUSZWVMZJCXKNU-HSZRJFAPSA-N 442.515 5.171 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(OC)cc2)=C(N2C[C@@H](C)C[C@@H](C)C2)C1=O 170030481 RSIFKMAMZYAVFJ-BGYRXZFFSA-N 426.601 5.114 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccc(C)cc2)c1 170037142 NFWYUMZGDCIOCP-OAQYLSRUSA-N 448.544 5.250 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2ccc(F)cc2)cc1 170060681 IDBDGFMOQOZNPT-HSZRJFAPSA-N 447.462 5.016 30 10 IKEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4cccc5ccccc45)[C@H]3c3ccco3)nc2c1 170098500 WNTFQARDVGKUIC-HSZRJFAPSA-N 449.466 5.400 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@H]2c2ccc(C)o2)cc1 170101061 SJJWQINPKPJPFI-FQEVSTJZSA-N 425.843 5.472 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@H]2c2ccc(C)o2)cc1 170101127 MAWBUZLNDGIEAR-FQEVSTJZSA-N 441.842 5.172 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2Cc2ccco2)cc1 170114439 RBSVZSLVUPGQGP-DEOSSOPVSA-N 439.467 5.220 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(OC)c2)c1 170121346 DSHJITVXYFZTCS-QHCPKHFHSA-N 435.520 5.005 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2cccc(F)c2)c1 170140339 SWLNUAMBERIQGD-FYSMJZIKSA-N 443.474 5.240 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccccn2)c1C 170172749 MZEHIPUAXCGBDG-RUZDIDTESA-N 438.527 5.360 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@@H]1c1ccc(OCC)cc1 170213518 KFQMQPZIBNNLCF-NRFANRHFSA-N 443.927 5.126 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC)c2)[C@@H]1c1ccc(OCC)cc1 170214245 UNSRNBIVZDXDEL-QHCPKHFHSA-N 437.536 5.253 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(OC)ccc3OC)[C@@H]2c2ccccc2)cc1 170224249 SSWOEWRHEMPDJR-DEOSSOPVSA-N 443.499 5.049 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccccc2)c1C 170225994 IQQMDXFVYLHOKW-SSOJOUAXSA-N 439.511 5.410 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2ccccc2)c1 170227839 YFMJYXHVUJBCRJ-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(Cl)cc1 170237200 IIAAYJNRANGBTQ-HXUWFJFHSA-N 429.875 5.009 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(F)cc1)c1ccc(Br)cc1 170244133 BUPANEWDWODQPV-IBGZPJMESA-N 444.300 5.109 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2F)c1 170250450 UEFCELDATUXQFV-HSZRJFAPSA-N 449.478 5.232 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@@H]2c2ccco2)cc1C 170287373 XGDVAWXDTDHOMM-XMMPIXPASA-N 439.467 5.533 30 10 IKEE C=CCOc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCCC)c1 170324121 RSQGREGVQYEVBC-VWLOTQADSA-N 441.527 5.783 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)cc1 170391508 OLGOOBLDCIRDIP-HSZRJFAPSA-N 449.909 6.133 30 10 IKEE CCOc1cc(Br)cc(C=Nc2ccc3oc(-c4cccnc4)nc3c2)c1O 252632050 VPDUYAZYMYLVJF-UHFFFAOYSA-N 438.281 5.507 30 10 IKEE C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C/c1cccc(Cl)c1Cl)C2=O 253578365 YGBQOUNQDOEMKJ-VZZGDYBKSA-N 445.430 6.880 30 10 IKEE CCN=c1scc(-c2ccc([N+](=O)[O-])cc2)n1N=Cc1ccc(Oc2ccccc2)cc1 254312799 RSNLHOWADFMZAW-UHFFFAOYSA-N 444.516 5.720 30 10 IKEE COc1ccc(N=C2S/C(=C/c3ccc(O)cc3)C(=O)N2c2ccc(OC)cc2)cc1 254703319 TZTPTHOIVTXCFJ-LAJNNLEESA-N 432.501 5.218 30 10 IKEE C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@H]([C@]4(C)CCC(=O)O4)CC[C@@]32C)[C@@]1(C)CCC(=O)O 257471618 LEKUPXHLKIIVCR-JBKHUYIDSA-N 430.629 6.388 30 10 IKEE biogenic COc1ccc(OC)c([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)c1 526518464 YFQLYSFUOFNRKH-QHCPKHFHSA-N 446.890 5.286 30 10 IKEE C=CCN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586132061 GDOAKZJNSIGUJB-UHFFFAOYSA-N 435.170 5.133 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H]1C(C)(C)[C@]2(C#N)Nc1ccc(Br)cc1 693738087 LAFPUOCYQXQDOV-CBGDNZLLSA-N 434.378 5.179 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@](C)(C#N)Cc1ccc(Cl)cc1 698487804 HSVSQOIFJAGHFF-OAQYLSRUSA-N 449.776 6.369 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@H](C#N)c1cccc(Br)c1Cl 706510336 JJSQQZQVMPUTOA-QGZVFWFLSA-N 441.797 6.627 30 10 IKEE COCc1ccccc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 710792937 IGXJBCXVQQVIDC-IBGZPJMESA-N 431.330 5.602 30 10 IKEE C=CCN(C[C@@H](Cc1cccc(Cl)c1Br)NCC)C(=O)OC(C)(C)C 719504456 MNSRGYQYXODQKD-OAHLLOKOSA-N 431.802 5.046 30 10 IKEE C/C=C1\C(=O)[C@H]2[C@@H](CC[C@@]3(C)[C@H]([C@@H](C)CCC(=O)OC)CC[C@H]23)[C@]2(C)CC[C@H](O)C[C@H]12 725328065 SXDZXAFUWCERDJ-CLGMXZBMSA-N 430.629 5.331 30 10 IKEE CC(C)(C)c1ccc(CSc2n[nH]c(NN=Cc3cccc(Br)c3)n2)cc1 1084051054 FZDVWPCXQQPWEO-UHFFFAOYSA-N 444.402 5.603 30 10 IKEE CC(=O)C(=NNc1ccccc1C)Sc1ncc(-c2ccccc2)n1-c1ccccc1 1084201075 OFXSBWHJJQINIH-UHFFFAOYSA-N 426.545 5.954 30 10 IKEE C[C@@H]1CCCN(CN2C(=O)C(=Nc3ccc(Oc4ccccc4)cc3)c3ccccc32)C1 1084447104 FZTXOTRDOWSKPN-HXUWFJFHSA-N 425.532 5.636 30 10 IKEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(CC)(CC)C1 1539919052 VOPDXEWTPWLEAT-UHFFFAOYSA-N 434.588 5.213 30 10 IKEE CC(=O)O[C@H]1CC[C@]2(C)C(=CC(=O)[C@@H]3[C@H]2CC[C@]2(C)[C@@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 1565537798 PMBSWZWCNKVWLV-KPXKNFPHSA-N 442.684 7.139 30 10 IKEE CC(=C/c1ccccc1)/C=C1/SC(=NN=Cc2ccccc2F)N(Cc2ccco2)C1=O 1772758870 GKGGPHXJSSIQFI-ILPWQEAMSA-N 445.519 5.872 30 10 IKEE C=CCN(CC=C)C(=O)Nc1ncccc1O[C@H](C)C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 1858828034 WCVUBMHIUJBIPT-NXLVEIQXSA-N 443.588 5.059 30 10 IKEE CC(C)c1c(Cl)c(C(=O)Nc2ccccc2C#N)nn1Cc1ccc(Cl)c(Cl)c1 1859377967 QVODNYIVTANEKF-UHFFFAOYSA-N 447.753 6.139 30 10 IKEE CC(C)Cc1cc(C(=O)Nc2ccc(C#N)cc2)nn1Cc1ccc(Cl)c(Cl)c1 1859380101 LRRKSEGHAVGKFD-UHFFFAOYSA-N 427.335 5.561 30 10 IKEE CCc1nc2ccc(C)cc2c(C(=O)Nc2c(C#N)cnn2-c2ccc3ccccc3n2)c1C 1859649454 ONYUETGNGXJIGD-UHFFFAOYSA-N 446.514 5.272 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1F 1861473610 FHDSBASNOOQMPE-DEOSSOPVSA-N 426.576 5.424 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc(F)c1 1862431092 ZJZMMPUBWOAHGB-MMACOIQUSA-N 427.903 5.636 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCCc2ccccc2)c1 1862444031 WIVWFDVXQMUYPV-XMMPIXPASA-N 445.946 5.860 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(N(C)C)cc2)cc1 1862532144 BELBJTJUHLDCCN-HSZRJFAPSA-N 446.572 5.155 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN3CCCC3)[C@H]2c2cccc(C)c2)cc1 1862532739 JCCNELDHSQXYNK-VWLOTQADSA-N 446.591 5.012 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(F)cc1F 1862559982 AZBIVLMKFWNNFE-AVRDEDQJSA-N 442.506 5.484 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccccc1 1862617400 YYILHVUXAVTGFF-HSZRJFAPSA-N 435.564 5.378 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 1862618482 DSBDFOAGXFWRTM-QFIPXVFZSA-N 448.519 5.413 30 10 IKEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(C(C)(C)C)cc1 1862654313 YXLKFAKGFLNAJB-XDHUDOTRSA-N 443.543 5.096 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(OCCC)cc1 1862668802 HTYQVIQUSMENRW-DEOSSOPVSA-N 435.564 5.977 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc2cc[nH]c2c1 1862678360 MPABUGZDETXJCM-XFEVJDRUSA-N 432.495 5.464 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(Br)cc1 1862681131 SKBIAHXXBHLBRM-LJQANCHMSA-N 446.316 5.357 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(Br)cc1)c1ccc(F)cc1 1862681369 YSZTULCXLPRXCZ-LJQANCHMSA-N 444.300 5.109 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(C)cc1 1862699380 UGOKSFUOOMJTIR-XUZZJYLKSA-N 435.564 5.941 30 10 IKEE CC(C)(C)c1ccccc1N1C(=O)C(Nc2ccccc2C#N)=C(c2ccccc2F)C1=O 1862933322 JBCFZAWJKLPQTF-UHFFFAOYSA-N 439.490 5.391 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(CC)cc2)=C(c2c[nH]c3ccccc23)C1=O 1863488622 AGEFMNMVDQUYDW-UHFFFAOYSA-N 443.591 6.283 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(OC)cc2)C(=O)N(Cc2ccccn2)C1=O 1863665430 MQDHMUHIMMWKBF-UHFFFAOYSA-N 449.595 5.101 30 10 IKEE C=CCN(CC=C)c1cc(N(CC)CCc2ccncc2)nc(-c2ccc(OCC)cc2)n1 1867996601 GDPHLOMVEKSAKR-UHFFFAOYSA-N 443.595 5.185 30 10 IKEE Cc1nc(Nc2ccccc2C#N)cc(N2CCC[C@H]2Cc2ccc(Br)cc2)n1 1868490882 WECJZBUGANAMEH-FQEVSTJZSA-N 448.368 5.374 30 10 IKEE C[C@H]1CN(c2cc(Nc3cccc(C#N)c3)nc(-c3ccc(C(C)(C)C)cc3)n2)CCO1 1868538471 PWQCEDWACAGZEF-SFHVURJKSA-N 427.552 5.281 30 10 IKEE C=CCn1cc(OCC(=O)Nc2ccc([C@H](C)CC)cc2)c(=O)cc1CSC(C)C 1870183556 WDAXRSKLCUPCCL-GOSISDBHSA-N 428.598 5.207 30 10 IKEE CCCCCCCCn1cc(OCc2cccc(Cl)c2)c(=O)cc1CN(CC)CCO 1870408846 KPCDJKLTNCLLKV-UHFFFAOYSA-N 449.035 5.255 30 10 IKEE C=CCOc1cn(CCCCCC)c(CNc2ccc(OCc3ccccc3)cc2)cc1=O 1870813672 VYXBPRDFNKRPQH-UHFFFAOYSA-N 446.591 6.185 30 10 IKEE C=CCn1cc(OCCCCCCC)c(=O)cc1CNc1ccc(Br)cc1C 1870836247 RMBOHHDWSVLNJK-UHFFFAOYSA-N 447.417 6.067 30 10 IKEE CCCCCCCOc1cn(C[C@@H](C)O)c(CNc2cc(Cl)cc(Cl)c2)cc1=O 1870836681 PZZCJOXMDAZTQO-MRXNPFEDSA-N 441.399 5.497 30 10 IKEE C=CCn1cc(OCCCOc2ccccc2)c(=O)cc1CNc1ccc(CCCC)cc1 1871085484 VHHNTDWOFVJPIR-UHFFFAOYSA-N 446.591 5.837 30 10 IKEE COc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN([C@@H]2CCCC[C@@H]2C)C4)c(OC)c1 1871351030 GXVCSHURXFCNNR-SEWLPPHFSA-N 449.547 5.359 30 10 IKEE CCCCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(Cl)cc1Cl)C3=O 1871352147 RQJNABSNWPMLMI-NHDPSOOVSA-N 432.347 6.342 30 10 IKEE Cc1cc(OC(=O)c2ccccc2[N+](=O)[O-])cc2c1C(=O)/C(=C/c1cccc(Cl)c1)O2 1871370790 FFUGSHTWHNGTJK-JAIQZWGSSA-N 435.819 5.392 30 10 IKEE Cc1cccc(OCCOc2cc(C)c3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)c1 1871405336 CXMBZLBONZYHEP-UCQKPKSFSA-N 431.444 5.286 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OCc3c(Cl)ccc(Cl)c3Cl)ccc2C1=O 1871428118 JQCBNXYFLNAJKT-FBHDLOMBSA-N 445.729 7.150 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4cccc(Cl)c4)c3C)C2=O)cc1 1871455624 QKBOHGJOHIEGOR-QRVIBDJDSA-N 447.918 5.845 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2F)C3=O)c1 1871460530 RPWRYFGOSKXTIP-FMCGGJTJSA-N 431.463 5.385 30 10 IKEE CCCCCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3cccc(OC)c3)cs2)cc1 1872762552 PYVHDLPMLODTIL-JOCHJYFZSA-N 434.561 6.268 30 10 IKEE Cc1cc(C)c(-c2csc([C@H](C#N)C(=O)Cc3cc(Cl)ccc3Cl)n2)c(C)c1 1872785895 BNBHQVRMBSJTSW-QGZVFWFLSA-N 429.372 6.461 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccccc3C(C)C)n2)cc1C 1872788051 VZVBQYWLVHFKTL-WIYYLYMNSA-N 448.588 6.203 30 10 IKEE C=CCc1ccccc1OCc1cccc(C(=O)NC2CCCCCCCCCCC2)c1 1872833915 HMICBKIMQAINQX-UHFFFAOYSA-N 433.636 7.397 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 1872878940 IDOZGEAEOREBFS-UHFFFAOYSA-N 435.656 5.879 30 10 IKEE CCCCCCCCNC1=C(c2ccc(F)c(C)c2)C(=O)N(CCC2=CCCCC2)C1=O 1873152499 GSUCEFNEYCLHIJ-UHFFFAOYSA-N 440.603 6.055 30 10 IKEE Cc1ccccc1COc1ccccc1/C=N/Nc1oc([C@H]2C[C@H]2c2ccccc2)nc1C#N 1873470269 DOGRESZFIWZVFC-VYFBRPNZSA-N 448.526 6.151 30 10 IKEE C=CCn1c(C(=O)Nc2ccc3cc[nH]c3c2)cc2c(NCc3ccccc3C)ncnc21 1873618885 MKQOJEFWPWMLMQ-UHFFFAOYSA-N 436.519 5.271 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(N(CC)CC)cc2)cc2c(NCCCCC)ncnc21 1873623268 XJMPLNXKZPIZMG-UHFFFAOYSA-N 434.588 5.318 30 10 IKEE N#Cc1ccc(NC(=O)COc2ccc3cc(-c4ccc(Cl)cc4)c(=O)oc3c2)cc1 1873864459 KRGIRMBPMBVDSW-UHFFFAOYSA-N 430.847 5.003 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](C)Oc1cc2oc(=O)c(C)c(C)c2cc1Cl 1873934898 CRXVSHBGZPXZJR-SFHVURJKSA-N 435.992 6.087 30 10 IKEE C=C(C)Cn1nc(C)c(CCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C 1874181004 CCTZYPCBXNKLOU-UHFFFAOYSA-N 433.396 5.685 30 10 IKEE CCCSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1ccccc1Cl 1874226469 MMPBCMDDNDVMHI-PCLIKHOPSA-N 443.016 5.944 30 10 IKEE CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccc(Cl)cc1Cl 1874243782 ASPFDKBMIJIEMO-DHRITJCHSA-N 449.451 6.338 30 10 IKEE CCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874244474 ICFHHKVBQVAMAZ-BUVRLJJBSA-N 439.585 5.330 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1cccc2ccccc12 1874253835 NIIDYFXSSFQFLH-ZXVVBBHZSA-N 442.588 5.912 30 10 IKEE CCCOc1c(/C=N/n2c(Cc3cccc4ccccc34)nnc2SC)cccc1OC 1874268085 GDHVZTQYTHONOO-YZSQISJMSA-N 446.576 5.424 30 10 IKEE C=CCSc1nnc(CCc2ccccc2OC)n1/N=C/c1ccc(C(F)(F)F)cc1 1874314031 ZEBSTKNWEORHLM-CVKSISIWSA-N 446.498 5.251 30 10 IKEE Cc1cccc(OCc2nnc(SCc3cccc(F)c3)n2/N=C/c2cccnc2)c1C 1874324114 YZCSGCZXQGRTIF-MZJWZYIUSA-N 447.539 5.183 30 10 IKEE C=C(C)CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874395713 TVYIBJRJAQHZJN-GIEPYWIESA-N 441.944 5.542 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3)n2/N=C/c2cccnc2)c1 1874402492 CYBHENUKHKPMND-WPWMEQJKSA-N 427.577 5.250 30 10 IKEE Fc1cccc(CSc2nnc(-c3ccccc3)n2/N=C/c2ccc3c(c2)OCCO3)c1 1874427012 LYUJDGLVGSNQMG-CVKSISIWSA-N 446.507 5.030 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2)cc1OC 1874428195 WFHZTIBAGUVHTP-YZSQISJMSA-N 444.560 5.527 30 10 IKEE C=C(C)CSc1nnc([C@H]2CCCO2)n1/N=C/c1ccc(OCCCCC)c(OC)c1 1874446589 GBEZVDGMJQODJY-FBTHGLLTSA-N 444.601 5.258 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2[C@H]2CCCO2)cc1 1874449634 IDCXXVHUYMWFDN-VUEBRRCKSA-N 428.561 5.766 30 10 IKEE C=C(C)CSc1nnc(C2CCCC2)n1/N=C/c1ccc(OCc2ccc(C)cc2)cc1 1874455021 XFBIWHMRRCCJSQ-JVWAILMASA-N 446.620 6.374 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc(C(=O)O)cc1 1874478452 AQNUJHHOYZWOLF-YDZHTSKRSA-N 428.945 5.147 30 10 IKEE CCCN(CCC)C(=O)CSc1nnc(C(C)C)n1/N=C/c1cccc2ccccc12 1874514858 KDODTBGBNSARQA-PCLIKHOPSA-N 437.613 5.178 30 10 IKEE O=C(/C=C/c1cc(Br)ccc1OCCc1ccccc1)c1cccc(Cl)c1 1874576325 HYUZUGSOOKIQRY-PKNBQFBNSA-N 441.752 6.620 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cccc(OC)c1OCC(=O)Nc1c(C)cccc1C 1874576917 NAPLMHIBTUPPGY-FOCLMDBBSA-N 445.515 5.234 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCc3ccccc3F)ccc3ccccc23)c(C)c1C 1874586346 JTYWVSDBXMBPRI-FYWRMAATSA-N 440.514 7.079 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2c(OCc3ccccc3F)ccc3ccccc23)cc1C 1874591212 YGCPITWJIITLQB-BUHFOSPRSA-N 440.514 7.079 30 10 IKEE CCN(CC)C(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1cc(C)c(OC)cc1C 1874591723 YOIKHMUEBMQOTO-CSKARUKUSA-N 429.944 5.109 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccccc3C)c2)cc1 1874596072 MLXSMIOWIAWMFQ-LFIBNONCSA-N 429.516 5.697 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCc3cccc4ccccc34)c2)cc1Cl 1874599837 GPCBLDKDDJBXGJ-WYMLVPIESA-N 428.915 6.977 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)c1OCCc1ccccc1 1874617457 CCVCTZGHEGRYSR-ACCUITESSA-N 434.963 6.873 30 10 IKEE C=C(C)COc1c(Cl)cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc1OCC 1874626976 GHWNLMKTPNJXDM-MDZDMXLPSA-N 442.983 7.030 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(C(C)(C)C)cc1 1874651268 PQTSBGYTTSTYHO-RUZDIDTESA-N 443.591 5.007 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccccc3C)c2)cc1 1874695447 BFRQTERHCSUCAE-GHRIWEEISA-N 428.528 6.462 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccccc3)c2)cc1OCCC 1874699585 BWWQPDFIZKUWID-FYWRMAATSA-N 444.527 6.380 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccccc3Cl)c2)cc1 1874700474 VLTFOJOXNDSZNP-RIYZIHGNSA-N 436.891 5.863 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(OCC)cc3)c2)cc1 1874702019 PRRAVPFOWVRAHO-CAOOACKPSA-N 430.500 5.989 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(Cl)c(Cl)c3)c2)cc1 1874702894 OSHUAACYCHIHSR-XYOKQWHBSA-N 425.311 6.346 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cccc(OC(=O)COCc2ccccc2)c1 1874713039 CXGZHEGWNZRNLK-OUKQBFOZSA-N 430.500 5.330 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)Oc3ccc(Cl)cc3)cc2)cc1 1875112688 OEICHCLQXDMXIR-DNIVAWAASA-N 436.891 5.618 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3cccc(Br)c3)cc2)cc1 1875114754 UEDHCXBTDGBVRW-SDNWHVSQSA-N 435.317 5.802 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 1875116901 YNEBKXZNPCIBPW-VZUCSPMQSA-N 442.254 6.017 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc([N+](=O)[O-])c1OC(=O)C(F)(F)F 1875126563 NMBSRQLSZGEUAS-FPYGCLRLSA-N 443.761 5.011 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2[N+](=O)[O-])c1 1875134803 LXAGKDYXPRGKDI-RMKNXTFCSA-N 429.472 5.944 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 1875136421 NYCHGUNPRMZQJB-WUXMJOGZSA-N 431.444 5.336 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)Cc1cccs1 1875139945 IYXMQXHODAMXOW-VAWYXSNFSA-N 446.568 6.146 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)CCc1ccccc1C 1875157596 FOJPDNZPBIBESM-RIYZIHGNSA-N 448.490 5.586 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)Cc1ccc(F)cc1 1875176758 ODLMDDGNNXJBOW-MDWZMJQESA-N 432.491 5.885 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3OC)cc2)c(OCC)c1 1875177812 LOYYYQRTJOHGJY-SFQUDFHCSA-N 446.499 5.608 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)C2CCCC2)c([N+](=O)[O-])c1 1875185113 HITOQIFUWJQUGW-JLHYYAGUSA-N 435.520 6.192 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)ccc1OC(=O)CCCSC 1875193936 GVZWHFFNXFFXHB-RMKNXTFCSA-N 434.941 5.302 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C)NCCC 1922056048 WJWMUXOUXHLGGV-DSITVLBTSA-N 444.660 5.991 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C1CCC(CNC(=O)OC(C)(C)C)CC1 1922078565 XRIQLKIEJVXDRV-HQNXYIODSA-N 430.633 5.459 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1C[C@H](CC)CCN1C(=O)OC(C)(C)C 1922115736 JXWVTXIRSQSVFI-NHTMILBNSA-N 430.633 5.553 30 10 IKEE C=C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(C)C)[C@H](CC(C)C)C(=O)O 1927537862 BFWIEMQBKFUIJS-SHQCIBLASA-N 435.564 5.853 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H]2C[C@@](C#N)(N(C(=O)OC(C)(C)C)C3CCCC3)CC[C@H]21 1940550896 JTQKMKRIEGQSON-PDOGEWKWSA-N 433.593 5.238 30 10 IKEE C#Cc1cccc([C@H]2[C@H](C(=O)O)CCN2C(=O)OCC2c3ccccc3-c3ccccc32)c1 1952798042 VCYNXYLDCJSMJU-RSXGOPAZSA-N 437.495 5.065 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H]1[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1978209436 KHBWSYQUFRKKKO-JTSKRJEESA-N 435.952 5.373 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)[C@@H]1C(C)(C)C 2014554848 CLOWMXSDLVZGKS-UUOWRZLLSA-N 435.609 5.484 30 10 IKEE CN(C[C@](C#N)(N(C(=O)OC(C)(C)C)c1ccccc1F)C(C)(C)C)C(=O)OC(C)(C)C 2032012593 IKQLYHDQXSSCBC-DEOSSOPVSA-N 449.567 5.743 30 10 IKEE CCCCCCCCC[C@@H](O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2041885851 BXCDORYQNLBAPZ-SQHAQQRYSA-N 447.660 6.332 30 10 IKEE CCCOc1ccc([C@@H](n2nc(C(C)C)c(C=NO)c2Br)C(C)(C)C)cc1 2080056237 QMAYCLCIIHVJCJ-LJQANCHMSA-N 436.394 6.001 30 10 IKEE COc1ccc(C)cc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2157899451 GOPYJFVRPYYMJJ-SFHVURJKSA-N 431.330 5.773 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](CNc2cc(Br)c(C#N)cc2F)CC12CC2 2172017958 YIEURXMXWMLHNA-ZDUSSCGKSA-N 438.341 5.051 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)[C@H]1C[C@@H]1c1ccccc1 2200293420 JPRGUGSMQGSHGJ-HSALFYBXSA-N 427.342 5.886 30 10 IKEE CN[C@@H](C#CC(C)(C)C)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2225474846 RSPGOXCKEBIGDU-LSYYVWMOSA-N 443.587 5.516 30 10 IKEE C=CCCCCCCC[C@@H](N)c1ccc(Br)cc1I 2227277600 ZJPPKFBOWZBYAM-MRXNPFEDSA-N 436.175 5.970 30 10 IKEE C=CCCCCCCC[C@@H](O)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2227291598 SJMPWBADDMYNJB-LJQANCHMSA-N 426.395 6.746 30 10 IKEE CCCCC#CC[C@@H](NC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237410111 MCMQKCNGEGBIHM-WOJBJXKFSA-N 437.422 5.057 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCCC)c2ccc(Br)cc2OC)C1 2239677045 QLTFSFZALRRACY-SFHVURJKSA-N 439.394 5.112 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Cl)c(NC(=O)[C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)c1 2247828592 HQSVKMZKTNLGSH-KBPBESRZSA-N 436.745 5.108 30 10 IKEE C=CCC[C@H](C)[C@@H](NCCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248462009 AHUVRXCYPRLATC-JTHBVZDNSA-N 430.633 5.411 30 10 IKEE CN[C@@H](CC=CC#CC(C)(C)C)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2248473626 KHTKPNADNSMVKW-XZOQPEGZSA-N 428.617 5.070 30 10 IKEE C=C(COCc1ccccc1)[C@]1(OCCCN)CCC(C)(C)C[C@H]1OCc1ccccc1 2263027691 JLVCAVNNJVHTPE-IXCJQBJRSA-N 437.624 5.659 30 10 IKEE C=CCCC1([C@@H](NC)c2c(C)ccc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2281037802 MWNRZUUBKYEEPA-SFHVURJKSA-N 441.385 5.360 30 10 IKEE COc1ccc(CNc2cc(Br)ccc2C#N)cc1NC(=O)OC(C)(C)C 2284072321 CVUZZMKACRFAKQ-UHFFFAOYSA-N 432.318 5.288 30 10 IKEE CC(C)(C)OC(=O)N1CCCC12CCC(Nc1c(Br)cccc1C#N)CC2 2285183915 FSNLSVGESSPYOY-UHFFFAOYSA-N 434.378 5.445 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCCN)c1cc(C(F)(F)F)ccc1Br 2293323832 ZUTBFYCPOTWBDE-IBGZPJMESA-N 444.291 5.257 30 10 IKEE O=C1C(=Cc2c(Cl)cccc2Cl)SC(=Nc2ccccc2)N1c1ccccc1 2296737724 DZJPWZNHDUOBSF-UHFFFAOYSA-N 425.340 6.802 30 10 IKEE C=CCC(CC=C)[C@H](N)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2301035823 AIUIZUUWRRHFHV-HSZRJFAPSA-N 427.633 5.032 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 2311766115 CRBUAZJNYOKAKW-WYEJZRMESA-N 443.588 5.712 30 10 IKEE CCN1C(=O)C(=C(C)c2ccc(Cl)cc2)SC1=Nc1nc(-c2ccccc2)cs1 2314543582 HVKIFOBCFKNBCR-UHFFFAOYSA-N 439.993 6.478 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)cc1 2319198532 LOJWIUYGDRDXCD-SLFFLAALSA-N 445.560 5.022 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl 2322481600 QDAIQOVECVAVDL-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(OC)c3ccccc23)c1OCc1ccccc1C 2323019996 CHHJJTHOAQTINE-UHFFFAOYSA-N 438.523 6.641 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(C)cc2)C3=O)cc1 2323078618 XPUFCXRFDXANRM-UHFFFAOYSA-N 444.483 5.303 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1OCc1ccc(Cl)cc1Cl 2323230336 KYBHIQRAUSJHDY-UHFFFAOYSA-N 449.280 6.755 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)c2C)C1=O 2323231915 CWPFSNBXXURROB-UHFFFAOYSA-N 449.846 5.700 30 10 IKEE CCOc1c(OC)ccc(C=CC(=O)c2ccc(OC)c3ccccc23)c1Br 2323328302 VCYCKBIWABGKRO-UHFFFAOYSA-N 441.321 5.914 30 10 IKEE CCCOc1c(Br)cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1OCC 2323434635 UNLSLGPFWCSCEO-UHFFFAOYSA-N 443.381 6.412 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4ccc(C=CC(=O)O)cc4)cc(C)c3C2=O)cc1 2323608571 BVEOJPGYZVUOCR-UHFFFAOYSA-N 440.451 5.237 30 10 IKEE CCOc1cc(C=NNc2nc(-c3ccc(C)cc3)cs2)cc(Cl)c1OCC(C)C 2323844487 UJUSDSUHGRJWLM-UHFFFAOYSA-N 444.000 6.651 30 10 IKEE CCCOc1c(Cl)cc(C=NNc2nc(-c3ccccc3)c(C)s2)cc1OCC 2323865584 VZRMUHCBPGPMTA-UHFFFAOYSA-N 429.973 6.405 30 10 IKEE CCCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2sccc2C)C3=O)cc1 2323934881 PFZIFAOWKPRGAC-UHFFFAOYSA-N 448.496 5.597 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Cl)c1OCc1ccccc1Cl 2323943416 HBSSDDWLOROJLV-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OCc1cccc(Cl)c1 2324009962 VIDGYYSEUBJSSJ-UHFFFAOYSA-N 436.935 6.531 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc(Cl)c2)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 2324244779 PMZXWSZSEPNOTI-UHFFFAOYSA-N 429.806 6.002 30 10 IKEE Cc1cc(OCCc2ccccc2)cc2c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O2 2324283525 GHOBPVMNBNGJRX-UHFFFAOYSA-N 425.311 6.540 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)cc2)o1 2324332752 QDPUDJCHHCEVIX-UHFFFAOYSA-N 432.516 6.165 30 10 IKEE CCCOc1c(OCC)cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc1[N+](=O)[O-] 2324538305 FIUPXWKZKJNLQG-UHFFFAOYSA-N 433.888 5.649 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCCCOc4ccc(CC)cc4)cc(C)c3C2=O)cc1 2324665628 TZZDVKHKVHARLL-UHFFFAOYSA-N 442.555 6.584 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(F)cc1F 2325726320 ZDLGHCWLHCYWEW-UHFFFAOYSA-N 433.237 6.387 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2)cc1OC(=O)CCCOc1ccccc1C 2325731233 OZKADJDNFRZLJC-UHFFFAOYSA-N 430.500 5.664 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)ccc2c1OC(=Cc1ccco1)C2=O 2325733758 VWDQSLJUBGTVHZ-UHFFFAOYSA-N 444.270 5.529 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cc(Cl)ccc3Cl)c2)cc1 2325734812 XWUBDHYWKTXORG-UHFFFAOYSA-N 441.310 6.507 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc(OCC(=O)Nc3ccccc3)c2C)C1=O 2325740172 YLHVESVXKFDWGW-UHFFFAOYSA-N 429.472 5.027 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2cccc(OC(=O)COCc3ccccc3)c2)cc1 2325746598 KHYNYHNMOLSWJY-UHFFFAOYSA-N 428.528 6.002 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1OC(=O)CCc1ccccc1C 2325747032 MATFYTSUTBTXRF-UHFFFAOYSA-N 444.483 5.167 30 10 IKEE CCCCC(=O)Oc1cc(C=CC(=O)c2ccc(C)c(C)c2)c(Br)cc1OC 2325760265 QRYXKDBYXBJQKS-UHFFFAOYSA-N 445.353 6.066 30 10 IKEE Cc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3cc(Cl)ccc3Cl)c2)cc1 2325773579 AGTOWASWBDHYFG-UHFFFAOYSA-N 425.311 6.346 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)ccc2OC)cc1OC(=O)c1ccc(F)cc1 2325778463 MXVIXWHQUNXYQG-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(OC(C)C)cc1 2326492386 YBRDFXYOWKSVCI-UHFFFAOYSA-N 449.407 6.109 30 10 IKEE C=CCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1c(F)cccc1Cl 2327020198 YJYBILGGXGXLIF-UHFFFAOYSA-N 444.963 5.551 30 10 IKEE CCCCC1CCC(c2nnc(SCCCO)n2N=Cc2ccc(C(C)C)cc2)CC1 2328193990 NHWPGLYPBGAVPH-UHFFFAOYSA-N 442.673 6.222 30 10 IKEE COc1ccccc1OCc1nnc(SCc2ccccc2C)n1N=Cc1ccccc1 2328232820 BHFOYQDILBEQEO-UHFFFAOYSA-N 444.560 5.349 30 10 IKEE CCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1c(Cl)cccc1Cl 2328475150 ZTXLTFYGYCKCJR-UHFFFAOYSA-N 436.324 5.078 30 10 IKEE CCCSc1nnc(CCc2ccc(OC)cc2)n1N=Cc1ccc(Cl)cc1Cl 2328585169 VYFGFRYECAJGEP-UHFFFAOYSA-N 449.407 5.763 30 10 IKEE CCSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2328783221 PSKLUAOTPQWQTJ-UHFFFAOYSA-N 445.932 5.030 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccccc2O)cc1C 2329395567 FHUVJCXFNYNBGJ-UHFFFAOYSA-N 446.551 5.505 30 10 IKEE C(=Nn1c(COc2ccccc2)nnc1SCc1cccc2ccccc12)c1ccc[nH]1 2329920714 CWOQBFZYELXAJJ-UHFFFAOYSA-N 439.544 5.513 30 10 IKEE CCCSc1nnc(Cc2ccc(C)cc2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2330015998 SAZMEZGWNOHJAK-UHFFFAOYSA-N 429.933 5.123 30 10 IKEE C=C(C)CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1ccc(C(F)(F)F)cc1 2330101503 KAHWTVYCESPGSR-MRXNPFEDSA-N 430.499 5.999 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(Cc2cccs2)n1N=Cc1ccco1 2330449676 XSFVZPIHCQYIOH-UHFFFAOYSA-N 432.933 5.490 30 10 IKEE COC(=O)c1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2-c2cccs2)cc1 2330549332 NWFJMXJSXJNGSL-UHFFFAOYSA-N 448.573 5.276 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)cc(Cl)c1OC(=O)c1ccccn1 2330786182 DGQPVJBGOUHEMU-UHFFFAOYSA-N 437.879 5.258 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)COc3ccc(C)c(C)c3)c(OC)c2)c1 2330800031 GXCDLJWLQQYOCK-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccc(F)cc1F 2330825890 YFLAOYSNKWKHOL-UHFFFAOYSA-N 445.495 5.228 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1)c1ccc(Cl)c(Cl)c1 2331084603 OTGIIRJCPCHDCU-UHFFFAOYSA-N 433.237 6.387 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)c1ccco1 2331149843 BYIQRCSFHGHICN-UHFFFAOYSA-N 431.271 6.100 30 10 IKEE Cn1cccc1C=Nn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccco1 2331215964 FSXDSGNJMQIIPM-UHFFFAOYSA-N 432.336 5.358 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2OC)cc1 2331236600 KSIMWWFLWAWVKY-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE COCCc1nnc(SCc2ccccc2C)n1N=Cc1c(OC)ccc2ccccc12 2331244936 CNRYNMOMDMNPOF-UHFFFAOYSA-N 446.576 5.112 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1cc(C)cc(C)c1 2331345293 CFGXLKQAMUOBIH-UHFFFAOYSA-N 432.491 6.265 30 10 IKEE CC(C)(C)c1nnc(SCc2c(F)cccc2Cl)n1N=Cc1cccc(Cl)c1 2331417833 SSIYZHZBZPVVMJ-UHFFFAOYSA-N 437.371 6.196 30 10 IKEE CCCOc1ccc(C=Nn2c(CC(C)C)nnc2SCc2cc(C)ccc2C)cc1 2331455676 GJIBWAIZLVLLQU-UHFFFAOYSA-N 436.625 6.057 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(C)c3)c(Cl)c2)c(C)c1C 2331612927 YAKYITZMNGWJHY-UHFFFAOYSA-N 434.919 6.389 30 10 IKEE CC(C)c1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(Cl)cc1Cl 2331702116 QCCWNPGKKGOABF-UHFFFAOYSA-N 439.799 6.536 30 10 IKEE CCC(=O)Oc1c(Cl)cc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1OC 2331802650 RLPVXWUMLMPRON-UHFFFAOYSA-N 443.710 5.876 30 10 IKEE CCCN[C@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)[C@@H]1CC12CCC2 2345012755 NBARDFIXOJOKAE-XRKRLSELSA-N 444.667 5.073 30 10 IKEE CCCN[C@H](C#C[C@@H]1CC1(F)F)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2366716604 XMJNGZXOEVIVIT-GDBMZVCRSA-N 443.332 5.495 30 10 IKEE CCCCCCC[C@@H](CO)N(Cc1ccc(COC)s1)C(=O)OCc1ccccc1 2368040949 YTARNBQSMATAOZ-NRFANRHFSA-N 433.614 5.755 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Oc2cc(C#N)ccc2[N+](=O)[O-])ccc1Br 2370353348 OOOOGTWHWRRPDV-UHFFFAOYSA-N 434.246 5.368 30 10 IKEE CCCCCCCCOc1ccc(/C=C2\N=C(/C=C/c3cccc([N+](=O)[O-])c3)OC2=O)cc1 2930249 TWAURIMGBNRVSE-ZHNNPGPNSA-N 448.519 6.344 30 10 IKEE O=C1CCCC2=C1[C@@H](c1cccc(Cl)c1)n1nc(SCc3cccc(F)c3)nc1N2 20135534 XRIFHMCNQUKSLS-HXUWFJFHSA-N 440.931 5.385 30 10 IKEE CC(C)COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccco2)cc1 20882250 RADVMUWFAJGTMW-WINIVTDRSA-N 428.532 6.294 30 10 IKEE O=C(Oc1ccc(Br)cc1C(=O)/C=C\c1cccs1)c1ccc(F)cc1 33442069 XXYCLQLOGZYENR-HJWRWDBZSA-N 431.282 5.765 30 10 IKEE CCOC(=O)C1=C(Nc2cccc(C(F)(F)F)c2)S/C(=C/c2cccc(C)c2O)C1=O 36257884 VLLHHQJSIHWCCH-MHWRWJLKSA-N 449.450 5.263 30 10 IKEE N#Cc1nc(-c2ccc(OCc3ccc(Cl)cc3)cc2)oc1NCCc1ccccc1 39841555 DYMJMJCZTDJSID-UHFFFAOYSA-N 429.907 6.100 30 10 IKEE C=CCc1ccc(OCCCCn2c(CCNC(=O)CCC)nc3ccccc32)c(OC)c1 40197862 SYZASMKDMAGJEA-UHFFFAOYSA-N 449.595 5.091 30 10 IKEE CCCCCCCOc1ccc(OC(=O)c2ccc(C3CCC(CCC)CC3)cc2)cc1 97997856 VGCHQMGVAOBQQT-UHFFFAOYSA-N 436.636 8.329 30 10 IKEE C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)S/C1=N/c1ccc(Cl)cc1 100992087 PZUUMDLVERTDDA-OVJLLXBISA-N 434.348 5.140 30 10 IKEE CCCCCCCCCCCn1c([C@@H](C)NC(=O)CCc2ccccc2)nc2ccccc21 102124998 WIVXAWOVIJHEFY-XMMPIXPASA-N 447.667 7.377 30 10 IKEE CCOC(=O)c1c(C)oc2c1/C(=C\Nc1nc3c(s1)CCCC3)C(=O)c1ccccc1-2 102628045 ODYJYBNBAVRPLS-FOWTUZBSSA-N 434.517 5.416 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccc(OC)cc2)cc1 169922348 ZYWRKKLTCDFRFR-RUZDIDTESA-N 441.527 5.657 30 10 IKEE CC(=O)Nc1ccc(-c2csc(N/N=C\c3ccc(OC(C)C)c(Cl)c3)n2)cc1 169942822 RVUBALIYPVDBOZ-KSEXSDGBSA-N 428.945 5.655 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2cccs2)cc1C 169985520 SGIAVPYPMMWPMZ-FQEVSTJZSA-N 439.920 5.501 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2cccs2)cc1C 169988371 IQGKVMBNEBGMOD-HXUWFJFHSA-N 441.455 5.126 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@@H]2c2cccnc2)cc1 170004687 GAQDGEWAGPBRQV-OAQYLSRUSA-N 436.870 5.219 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2cccnc2)c1 170012608 XJQKXQDOFMKOFB-XMMPIXPASA-N 426.516 5.094 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(O)c(Cl)c1)c1cc2ccccc2o1 170041417 GFFOREXGZYNLDU-NRFANRHFSA-N 449.846 5.163 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1ccc(F)cc1)c1cccc(Cl)c1 170064304 KVEDCHPZAIEGJM-FQEVSTJZSA-N 443.808 5.540 30 10 IKEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@H]1c1ccc(F)cc1)c1cccc(Cl)c1 170065682 RDWSEFKLGYOPIG-FQEVSTJZSA-N 447.853 5.138 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)o1 170101759 RAPQYJQJFLBSPI-JOCHJYFZSA-N 447.874 6.079 30 10 IKEE CN(C)c1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C2CCCC2)cc1 170130031 VYOBRAZCSUEYMN-RUZDIDTESA-N 440.543 5.427 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2OCC)[C@H]1c1cccc(C)c1 170146725 RHFUZDCRFWNUDK-HSZRJFAPSA-N 437.536 5.171 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1ccccc1OC(C)C 170150744 LEODVKWUDUPDNJ-HSZRJFAPSA-N 437.536 5.169 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(OC(C)C)cc1 170152013 DSNHZTUUSLIQJI-JOCHJYFZSA-N 425.500 5.300 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2cccs2)cc1C(C)C 170162807 GRGJTOBXUDNDIP-QFIPXVFZSA-N 448.544 5.054 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1cccs1)c1cccc(Cl)c1 170166946 OVDYRBJZGFVKIR-IBGZPJMESA-N 427.884 5.319 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1 170231332 ABRWKXIRGOFMFM-OAQYLSRUSA-N 425.912 5.260 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccc1 170233700 VBYWPPSLODXCKS-XMMPIXPASA-N 429.516 5.233 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(C(C)C)cc2)cc1 170246236 MZRGLAYBJJHNMM-XMMPIXPASA-N 433.548 5.730 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1c[nH]c2ccccc12 170256037 CUUAXZSUWVOZNY-HSZRJFAPSA-N 428.488 5.683 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@H]1c1ccc(CC)cc1 170268131 NYYMHRXMNAKRQE-JOCHJYFZSA-N 441.955 5.680 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc(C)o1 170298933 FSOCYQYVEXJORL-OAQYLSRUSA-N 435.451 5.135 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2ccc(C#N)cc2)o1 170305173 RPWXAKZMPZBJGE-XMMPIXPASA-N 434.451 5.396 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1sccc1C 170315538 QCTIXTAHPNRNLF-JOCHJYFZSA-N 447.556 5.935 30 10 IKEE C=CCOc1cccc([C@@H]2C(C(=O)c3cccc(OCCC)c3)=C(O)C(=O)N2CCC)c1 170324271 WJXCFKLNIBMVLY-HSZRJFAPSA-N 435.520 5.029 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(OC(F)(F)F)c2)[C@H]1c1ccccc1)c1cccs1 170370747 NHYPPDNTNARRIL-SFHVURJKSA-N 445.418 5.430 30 10 IKEE Cc1cccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2nc3cc(F)c(F)cc3s2)c1 170461587 RPXGEPOBBARRGP-FQEVSTJZSA-N 442.487 5.398 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(Cc2ccc3c(c2)OCO3)[C@@H]1c1ccc(C(C)(C)C)cc1 170471754 PATCWQGEGYRYJK-JOCHJYFZSA-N 449.547 5.224 30 10 IKEE Cc1cc(C)c(S(=O)(=O)Oc2ccc(C=Nc3cccc(C(F)(F)F)c3)cc2)c(C)c1 254291428 YHTJQMJJLBOWDZ-UHFFFAOYSA-N 447.478 6.149 30 10 IKEE COc1ccc(-c2nc3ccccc3o2)cc1N=Cc1cc(Cc2ccccc2)ccc1O 254612055 LADAJKMWVDLHAE-UHFFFAOYSA-N 434.495 6.550 30 10 IKEE CCOc1ccc(N=C2SC[C@@H](C)N2C(=O)CCCOc2ccc(OCC)cc2)cc1 254838908 OHRGRPRIIFNRBB-GOSISDBHSA-N 442.581 5.295 30 10 IKEE COc1cc([N+](=O)[O-])cc(C=Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c1O 254841481 OPJAXOFGWGCBMU-UHFFFAOYSA-N 445.431 5.367 30 10 IKEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(NC(=O)c2ccccc2OCc2ccccc2)c1 404948579 PPBDUJNJHCIGSV-UHFFFAOYSA-N 443.352 5.126 30 10 IKEE C=C(COC(C)C)[C@H](NCCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 407132999 WLKARVROFSTZFY-IBGZPJMESA-N 441.410 5.818 30 10 IKEE Cc1ccsc1[C@H]1C(c2ccc(Cl)c(Cl)c2)=C(O)C(=O)N1c1ccc(C#N)cc1 526491917 ZKZDAFBTORJJTH-LJQANCHMSA-N 441.339 6.292 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2c[nH]c3ccccc23)c1 526603262 BSKUJZZCTCLINN-AREMUKBSSA-N 449.510 5.886 30 10 IKEE N#Cc1ccccc1N1C(=O)C(Nc2ccc3ccccc3c2)=C(Sc2ccccc2)C1=O 526636768 DWQMLRAYNVBRBU-UHFFFAOYSA-N 447.519 5.701 30 10 IKEE Fc1ccccc1CSc1nnc(Cc2ccccc2)n1/N=C\c1ccc(Cl)cc1 526803859 RXJRRVJEKGITHO-YSMPRRRNSA-N 436.943 5.836 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1ccccc1OCC(C)C 526811412 JUWWQYAHCIXSCZ-YSMPRRRNSA-N 436.625 6.057 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccccc1[N+](=O)[O-] 526821877 OUCZNWNAKRKBOX-XYGWBWBKSA-N 445.548 5.857 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@@H]1CCCCN1C(=O)OC(C)(C)C 698428317 YUFXIMRRHODFBV-NBGIEHNGSA-N 443.588 5.808 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(Br)c2c(c1)OCCCO2 698470736 VEBUTECPXGOXBW-XJKSGUPXSA-N 439.350 5.211 30 10 IKEE C=CC[C@H](C)[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCC 715791279 XREHEQMHWWRSFQ-JTHBVZDNSA-N 429.649 5.126 30 10 IKEE COc1ccccc1CNN=Cc1cc(Cl)c(OCc2cccc(Cl)c2)c(OC)c1 1084047888 JTWQLJANEUAERG-UHFFFAOYSA-N 445.346 5.713 30 10 IKEE CC(/C=C1\SC(=NN=Cc2ccccc2)N(Cc2ccco2)C1=O)=C\c1ccccc1 1772758427 VCKJKVIAIPWHTM-TXJAVNKSSA-N 427.529 5.733 30 10 IKEE C=CCN1C(=O)/C(=C\C(Cl)=C/c2ccccc2)SC1=Nc1ccc(C(=O)O)c(O)c1 1772760942 JAIVANUZWQTNGR-WWIJCDCNSA-N 440.908 5.003 30 10 IKEE O=C(/C=C/c1ccccc1Br)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 1860726360 OINJBJARSQBMDS-VMPITWQZSA-N 432.623 5.342 30 10 IKEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)C1CCN(Cc2ccccc2)CC1 1861162497 HJHYUTFHJVLPOV-UHFFFAOYSA-N 443.676 5.050 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(Cl)cc2)n(Cc2cccc(Cl)c2)n1 1862361494 ODYHWZNQNLNNKA-UHFFFAOYSA-N 426.347 5.719 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(Cl)c(Cl)c1 1862417226 WZWVJHSTSMTSQP-GOSISDBHSA-N 440.273 5.650 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCC(C)C)cc1 1862437270 NOXIQFFGBVNLTP-JOCHJYFZSA-N 441.955 5.753 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1Cl)c1cccc(Cl)c1 1862446471 SZYGKNUMGMSHLB-HXUWFJFHSA-N 430.331 5.904 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862474169 LBGNWQZFNVULOR-UQBPGWFLSA-N 425.528 5.897 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2cccc(F)c2)c1 1862488939 LVWFTUCVPDPWGT-XMMPIXPASA-N 429.491 5.529 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCCC)cc1 1862496232 GAWBAWMGFGOBTF-DEOSSOPVSA-N 435.564 5.861 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc(Cl)cc2Cl)cc1 1862537695 AYPXEXYATFEMNZ-OAQYLSRUSA-N 446.374 6.180 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCC(C)C)c1 1862546824 GTVUTUZKIGDEIP-RUZDIDTESA-N 447.575 5.589 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C(C)C)cc3)[C@@H]2c2ccc(O)cc2)cc1 1862661747 GTERAKSVPXJFKI-VWLOTQADSA-N 441.527 5.603 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862676376 HZRAKGCNTMHABT-HSZRJFAPSA-N 449.453 5.142 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2cccc(Cl)c2)c1 1862700561 JIIADLJWEYGNLY-MWTRTKDXSA-N 447.918 5.688 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1Br 1862719825 SKDFCKOPPQBXND-FQEVSTJZSA-N 436.305 5.201 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2C(C)C)cc1 1862726006 WSVKGPXGYFAOHW-DEOSSOPVSA-N 427.500 5.349 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(Cl)cc1 1862726153 ZSYOBRFICBEGKB-MZNJEOGPSA-N 445.946 6.384 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(F)c(C)c3)C2=O)cc1C 1863087311 IGUCVOQPMVEBPX-UHFFFAOYSA-N 425.463 5.019 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(F)c(C)c2)C1=O 1863460754 COXHGVLCYCDAAA-NRFANRHFSA-N 433.527 5.557 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2OC)C(=O)N(Cc2ccc(C)cc2)C1=O 1863760271 FMEAWDUDMUWFCJ-UHFFFAOYSA-N 434.580 5.234 30 10 IKEE CC[C@@](C)(NC(=O)C[C@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccccc1C#N 1866747000 SBTWKYQDKDHZFH-WNCULLNHSA-N 433.596 5.735 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N2C[C@H](C)C[C@@H](C)C2)nn1-c1ccc(Cl)cc1 1870024283 ZWBFJUKFHGVTHN-RTBURBONSA-N 446.039 6.092 30 10 IKEE N#Cc1nnn(Cc2c(Cl)cccc2Cl)c1NC(=O)c1cc(Cl)ccc1Cl 1870110081 YUCBCGYEKZBMRM-UHFFFAOYSA-N 441.105 5.064 30 10 IKEE CCCCCCCCn1cc(OCC(=O)Nc2ccccc2)c(=O)cc1CSCC 1870213692 JUYWXOGSMLUUIF-UHFFFAOYSA-N 430.614 5.479 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OC(C)(C)C)c(=O)cc1CSC(C)C 1870262093 QGLFPOIIYMVDQT-UHFFFAOYSA-N 425.635 5.571 30 10 IKEE C=CCOc1cn(CCCCN(CC)CC)c(CNc2ccccc2C(C)C)cc1=O 1870813154 YZELLZHSPXMTCX-UHFFFAOYSA-N 425.617 5.271 30 10 IKEE CCCCCCCOc1cn(CC(C)C)c(CNc2ccc(Br)cc2)cc1=O 1870831531 CGPWTBVBWVSMSI-UHFFFAOYSA-N 449.433 6.228 30 10 IKEE C=CCn1cc(OCCOc2cccc3ccccc23)c(=O)cc1CNc1ccc(F)cc1 1871040916 ZPGTUJJWZGFOAD-UHFFFAOYSA-N 444.506 5.397 30 10 IKEE CCCCCCCCn1cc(OCc2cccc(C)c2)c(=O)cc1CNc1ccc(C)cc1 1871071557 XZKQLOJGIYVJEE-UHFFFAOYSA-N 446.635 7.017 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccco1)O3)CN(CCc1c[nH]c3ccccc13)CO2 1871345233 ZDKDGDJQDMQLKN-FMCGGJTJSA-N 426.472 5.080 30 10 IKEE CCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccccc1Br)C3=O 1871346496 JNBNICHCTQRAHH-ODLFYWEKSA-N 428.326 5.326 30 10 IKEE CCCCC[C@@H](CC)N1COc2cc(C)c3c(c2C1)O/C(=C\c1cccc(Cl)c1)C3=O 1871347523 FBRHHIXSYBVDLX-SPMKTWQFSA-N 439.983 6.775 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2sccc2C)C3=O)cc1 1871389344 QVWXQSFNRCXKKU-MOSHPQCFSA-N 448.496 5.516 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4C)ccc3C2=O)cc1 1871409615 SJKCDBPFVVSXOP-AOBKZXEFSA-N 427.500 5.580 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCc4ccc(C#N)cc4)cc(C)c3C2=O)c1OC 1871417331 JCRKEKHCUOWHQM-FMCGGJTJSA-N 427.456 5.079 30 10 IKEE Cc1cccc(COc2cc(C)c3c(c2)O/C(=C\c2cccc(Br)c2)C3=O)c1 1871455016 HDASWBWYOIIPKZ-UUYOSTAYSA-N 435.317 6.261 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2cccs2)C3=O)cc1Cl 1871456784 WLIUDYBYGOFSSG-JAIQZWGSSA-N 439.920 5.652 30 10 IKEE Cc1cc(C)c(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccc(C)o2)C3=O)c(C)c1 1871458791 LZQDNLFJFKETAD-UUYOSTAYSA-N 431.488 5.455 30 10 IKEE C=CCN(CC=C)c1nc(=NCCCCCCCCCC)[nH]c(=Nc2cccc(F)c2)[nH]1 1871546168 JHTXRVISIAKGKG-UHFFFAOYSA-N 440.611 5.329 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1 1872551697 VBUUVOKCFVWKGW-XMMPIXPASA-N 442.625 5.232 30 10 IKEE COc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872759380 MRNJGINUMHORIN-NRFANRHFSA-N 440.524 5.741 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(Cl)cc3)n2)cc1 1872770342 QJAWSMKOHICQIL-IBGZPJMESA-N 426.925 5.508 30 10 IKEE COc1ccc(C)cc1-c1csc([C@@H](C#N)C(=O)c2ccc3nc(C)c(C)nc3c2)n1 1872770790 FISPAMRQNPPENK-SFHVURJKSA-N 428.517 5.177 30 10 IKEE CC(C)c1ccc(O[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1 1872777766 VVRXHNCNQWEAJL-OXJNMPFZSA-N 429.545 6.059 30 10 IKEE N#C[C@H](C(=O)c1ccc(Cl)nc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872779336 HRNGQNKQZFJQGF-LJQANCHMSA-N 431.904 6.141 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@@H](C#N)C(=O)c2ccc3nc(C)c(C)nc3c2)n1 1872789098 YBYLAZNVVZNJKL-KRWDZBQOSA-N 448.935 5.522 30 10 IKEE Cc1nc(SCc2ccc(C(=O)Nc3ccc4c[nH]nc4c3)cc2)c(C#N)c(C)c1C 1872895066 AMNCNFFQBARNOU-UHFFFAOYSA-N 427.533 5.299 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2cc(F)cc(F)c2)C1=O 1873314758 KQFDNNOCXCBKEJ-NRFANRHFSA-N 437.490 5.387 30 10 IKEE CCCCCOc1ccc(/C=N/Nc2cnn(-c3cccc(Cl)c3)c(=O)c2Cl)cc1 1873526487 HYPCIZHZBPAORL-AFUMVMLFSA-N 445.350 5.554 30 10 IKEE C=CCn1c(C(=O)N(CCCC)CCCCCC)cc2c(N3CCCCCC3)ncnc21 1873561001 QKHJQPHFYMEQRA-UHFFFAOYSA-N 439.648 5.820 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(OCC)cc2)cc2c(N(CCCC)CCCC)ncnc21 1873662262 IWOBQAMSKMNSHJ-UHFFFAOYSA-N 449.599 5.675 30 10 IKEE CCCOc1ccccc1/C=N/n1c(COc2ccc(OCC)cc2)nnc1SCC 1874235678 VHCVRNYCMMDWNT-LFVJCYFKSA-N 440.569 5.039 30 10 IKEE C=CCSc1nnc(CCc2cccc(OC)c2)n1/N=C/c1ccccc1OC(C)C 1874310859 QZCZQVRSOGRXCK-KOEQRZSOSA-N 436.581 5.019 30 10 IKEE Cc1cccc(CSc2nnc(CCCOc3ccccc3)n2/N=C/c2cccs2)c1 1874317567 ZRIPNBUJTHXXFS-KOEQRZSOSA-N 448.617 5.834 30 10 IKEE CSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1cccc(Br)c1 1874329405 NOMHKNMBHASOEF-LPYMAVHISA-N 429.387 5.047 30 10 IKEE CCCSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1cc(OC)ccc1OC 1874331692 ZXIHKCDZFXBJAA-PCLIKHOPSA-N 438.597 5.082 30 10 IKEE Fc1ccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2cccc(Cl)c2)cc1 1874406030 BOYJESZQYRQOML-CVKSISIWSA-N 442.991 6.368 30 10 IKEE O=C(O)c1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccccc2)cc1 1874407977 YZJPNLRUYRUXRA-PCLIKHOPSA-N 434.565 5.274 30 10 IKEE Oc1ccccc1/C=N/n1c(CC2CCCCC2)nnc1SCc1cccc(Cl)c1 1874408671 JKZKSPWPLKXPKJ-MFKUBSTISA-N 441.000 5.934 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2-c2ccccc2)cc1 1874428300 CCPUTACOHJYZHU-WGOQTCKBSA-N 448.979 6.172 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccccc3)n2/N=C/c2ccc(C(=O)O)cc2)c1 1874428418 IEXLYSCMIXUEAH-CVKSISIWSA-N 442.544 5.435 30 10 IKEE O=[N+]([O-])c1cccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CCC2)c1 1874495767 DJYVSXPMJVYCJV-WSDLNYQXSA-N 427.917 5.282 30 10 IKEE Cc1ccccc1COc1ccccc1/C=N/n1c(S)nnc1[C@H](C)c1ccccc1 1874561324 MUYIPPKEOXLJCA-DZTFFZQKSA-N 428.561 5.488 30 10 IKEE C[C@@H](NC(=O)COc1ccccc1/C=C/C(=O)c1ccc2ccccc2c1)c1ccccc1 1874571241 CUOGGYUIXDUWMK-RURFIKTLSA-N 435.523 5.992 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(Cl)cc2)c1OCC(=O)OCC(C)C 1874577513 RHBGXUQSCJWCDF-RMKNXTFCSA-N 437.319 5.476 30 10 IKEE CCCOc1ccc(Br)cc1/C=C/C(=O)c1ccc(OC)c2ccccc12 1874592395 WVURMPAXSVSNCD-DHZHZOJOSA-N 425.322 6.296 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccc(F)cc3)c2)cc1 1874596237 QGJXHRJOFARIRQ-GIDUJCDVSA-N 433.479 5.528 30 10 IKEE Cc1ccc(C)c(COc2cccc(/C=C/C(=O)c3ccc(Oc4ccccc4)cc3)c2)c1 1874598645 XIZXLSJNTFZWNS-QGOAFFKASA-N 434.535 7.571 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OCC(=O)Nc2ccccc2C)c1 1874601115 VCQPNYTYORWIFS-ZRDIBKRKSA-N 435.907 5.571 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1ccc(F)cc1 1874601808 DWUQFWAFGMOTOR-DHZHZOJOSA-N 437.423 5.226 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(OC)c1OCc1ccccc1F 1874605927 MSFACOXMZCYEBW-BUHFOSPRSA-N 432.491 6.047 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)ccc1F 1874618606 JZXIGCXKEIICJT-WTDSWWLTSA-N 441.861 5.840 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 1874624449 DQNYVKGULNGNQC-JLHYYAGUSA-N 445.515 6.376 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3ccc(C)cc3C)c2)cc1OC 1874694213 ROUPPBQCZWDDGP-PKNBQFBNSA-N 446.499 5.201 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCCOc3ccccc3Cl)c2)c(C)c1 1874702124 IFBFCUPMUYYSHP-FYWRMAATSA-N 448.946 6.618 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccc(F)cc2)c1 1874709246 BTZHHECFIWVCEX-RIYZIHGNSA-N 432.491 6.247 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)cc1OC(=O)C(C)(C)C 1874711514 BBZFQNFQEPJIIL-SOFGYWHQSA-N 437.319 5.858 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c(C)c3C)c2)c1 1874712244 REGVLCVPPHZRMR-PKNBQFBNSA-N 446.499 5.445 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccccc3F)c2)c(OCC)c1 1874714691 JNNLJPZVCBHEFO-NTCAYCPXSA-N 434.463 5.738 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)c2)c(C)c1 1874716367 ORPFETWSYVOKOG-ZIXMJRCYSA-N 444.958 6.870 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)ccc1OC(=O)c1ccc(Cl)cc1 1875103456 ZPWSLKXNJKLVAF-VIZOYTHASA-N 434.919 6.416 30 10 IKEE CCCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1OC 1875104665 IPGNAORMQZTKTG-JXMROGBWSA-N 437.319 6.002 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1[N+](=O)[O-] 1875112230 XQAANBQCISEMJF-FYWRMAATSA-N 443.927 6.800 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC(=O)C1CCCC1 1875117064 HAZMQQSQCWDFDL-IZZDOVSWSA-N 429.856 5.249 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1)c1ccc(Cl)cc1 1875123196 WRUQYYSBEVGTSJ-AWNIVKPZSA-N 441.708 6.218 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)cc2)cc1 1875168736 SAPAGQCIVNYGJH-MHWRWJLKSA-N 442.555 6.363 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)cc3F)cc2)cc1Cl 1875186806 CNXILJDVMPMBOE-ONNFQVAWSA-N 442.845 5.671 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)ccc1OC(=O)c1ccccc1C 1875190548 UYZKCDQBAXLABK-ACCUITESSA-N 444.527 6.134 30 10 IKEE CCCCCCC[C@@H](N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875669446 PCJPPEUKDIOHLE-UHSQPCAPSA-N 447.619 6.566 30 10 IKEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N[C@@H](C)Cc3csc4ccccc34)n[nH]2)c1C 1890851748 XXFPZCNKEKACJZ-HNNXBMFYSA-N 433.581 5.042 30 10 IKEE CCN(CC)c1cc(C)nc(Nc2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)n1 1891841843 XWSUOMUSQDGZQU-KRWDZBQOSA-N 428.540 5.254 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@]12CCC[C@H]1CN(C(=O)OC(C)(C)C)C2 1922075450 XAEFGQLNURRYPX-ZEVJAHDQSA-N 428.617 5.165 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1cc2ccccc2cc1NC(=O)OC(C)(C)C 1922093748 FTYCVUQLRCPANH-AREMUKBSSA-N 446.591 6.610 30 10 IKEE C=C(COCc1ccccc1)C(=O)[C@@H](O)c1ccc(-c2ccc(Br)cc2)s1 1922097379 AGNQLRIAFMEQLS-QFIPXVFZSA-N 443.362 5.553 30 10 IKEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 1944892601 XRYHOSYFPXVUGR-HOYKHHGWSA-N 435.609 5.486 30 10 IKEE C#CC(CC)(CC)NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC 1985773563 JQJVHNXMSHJVNU-UQBPGWFLSA-N 446.591 5.248 30 10 IKEE C#CC[C@H](C)CN(C)C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)CC 1991290107 YGVOEVZIWMXQRL-OUDXUNEISA-N 446.591 5.058 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CN(C(=O)OC(C)(C)C)CC[C@H]1C 1999948332 XNUMFOFFNZGUAZ-HOYKHHGWSA-N 429.561 5.276 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)[C@@H]2C[C@H]21 2008447297 AFKHKGGNDXSATE-PMAPCBKXSA-N 447.963 5.373 30 10 IKEE Cc1cccc(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 2008450402 ZTDUBDBZQUKZFE-JXQFQVJHSA-N 427.545 5.028 30 10 IKEE C=C(COCc1ccccc1)[C@H](NC)[C@H](NC(=O)OC(C)(C)C)C1CCC(F)(F)CC1 2016133748 XXACPAWHBYBQDS-LEWJYISDSA-N 438.559 5.066 30 10 IKEE CCCCCC#CC[C@H](CCCN(Cc1ccccc1)C(=O)OC(C)(C)C)NCCC 2024366815 BMBCWPZTBMHHIZ-RUZDIDTESA-N 428.661 6.546 30 10 IKEE C=CCCCCCC[C@H](NCCC)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2026003184 OFCWJQINAANHRX-BJKOFHAPSA-N 432.649 5.991 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2031999371 HLFJJJFNOPMNSI-OBWXTZQISA-N 447.551 5.495 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 2037321712 QGOJUYFGLNTGCO-XMMPIXPASA-N 445.535 5.251 30 10 IKEE O=C(C=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)c1ccc2c(c1)OCCO2 2040457923 RLLWBRBNESUGLF-UHFFFAOYSA-N 448.478 5.953 30 10 IKEE C[C@@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)[C@H](OCc2ccccc2)C1 2043778240 XYKBTNXRELYDGY-DBTWGZIYSA-N 440.628 6.614 30 10 IKEE C#CC(C)(C)C[C@H](NCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071264937 MHNMFBKKBYFCRE-SANMLTNESA-N 427.588 6.545 30 10 IKEE CC(C)[C@H](c1ccc(C2CCC2)cc1)n1nc(C2CCC2)c(C=NO)c1Br 2079958478 PRGGATMGQXXESO-OAQYLSRUSA-N 430.390 6.234 30 10 IKEE Cc1cnc(-c2cc(Cl)n3nc(C4CCCCC4)c(C#N)c3n2)cc1Br 2081270302 OTRDQRXDEWLTKK-UHFFFAOYSA-N 430.737 5.435 30 10 IKEE N#Cc1cnc2c(-c3cc(C(F)(F)F)cc(Cl)n3)c(C3CCCCC3)nn2c1Cl 2081523122 VYSLTYBIFBCPGU-UHFFFAOYSA-N 440.256 6.036 30 10 IKEE Clc1ccc(N=C2N[C@@H](C3CCCC3)CS2)c(Cl)c1I 2150345278 HGDOJUISQXIIHP-LLVKDONJSA-N 441.165 5.481 30 10 IKEE C=CCN(CC[C@@H](Cc1ccc(Br)c(F)c1F)NCC)C(=O)OC(C)(C)C 2155515879 DUZZVMHFGABRSP-HNNXBMFYSA-N 447.364 5.061 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(F)cc(C(=O)Nc2ccc(C#N)c(Br)c2)c1 2181154291 JDZXONCBXLHLOF-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](Cc2cccc(C)c2Br)NCCC)C1 2197754377 PWOXKTZVABFJLK-GOSISDBHSA-N 437.422 5.282 30 10 IKEE CCCCCC#CC[C@H](N)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2203807444 NCSGDNUPMUYRAQ-VQTJNVASSA-N 437.422 5.186 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)C1=CCC(F)(F)CC1 2237404972 MABAKHDATXNVQU-INIZCTEOSA-N 444.316 5.200 30 10 IKEE CC1(C)OB(c2cccc(Cl)c2C(=O)N(Cc2ccccc2)C2CCCC2)OC1(C)C 2255645674 IVWRHEQLWQCOKY-UHFFFAOYSA-N 439.792 5.224 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)[C@@H](C)C(C)(C)C)s1 2255868234 LXEMTHDVFYLFJB-SFHVURJKSA-N 441.446 5.433 30 10 IKEE N#Cc1cccc(Br)c1Nc1ccc(Br)c(Br)c1 2257484830 ZGNJPAQHUUVMMJ-UHFFFAOYSA-N 430.925 5.589 30 10 IKEE C=C(C)CCCC[C@H](NC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2259164489 QWHDBFIEUFMANR-MHZLTWQESA-N 429.604 7.242 30 10 IKEE C=CCCC1(C(=O)Nc2ccc(Br)c(Cl)c2)CN(C(=O)OC(C)(C)C)C1 2266280319 BPZLXEOJLCFQCI-UHFFFAOYSA-N 443.769 5.244 30 10 IKEE Cc1cc(C(=O)Nc2cccc(OCc3ccccc3)c2)sc1B1OC(C)(C)C(C)(C)O1 2267598960 ICPXQGHPNIYTGH-UHFFFAOYSA-N 449.381 5.187 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(OCc3ccc(C)cc3)c(OCC)c2)SC1=S 2293682591 CQZFZPYXZWRERE-UHFFFAOYSA-N 425.575 5.360 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC 2296290759 HIPOVXGZYULYQA-DBVUQKKJSA-N 437.422 5.108 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)C(C)(C)CCCNC(=O)OC(C)(C)C 2296308210 FFDXLPVWCFYJSD-IBGZPJMESA-N 437.422 5.110 30 10 IKEE O=C1C(=CNc2ccc(Cl)cc2)[C@H](Nc2ccc(Cl)cc2)Oc2ccc(Cl)cc21 2297534592 UWKPRUGQGOONHN-JOCHJYFZSA-N 445.733 6.656 30 10 IKEE O=C1C(=Cc2cc3c(cc2Cl)OCO3)SC(=Nc2ccccc2)N1C1CCCCC1 2313541246 MWDAFVRUOSWTFH-UHFFFAOYSA-N 440.952 6.005 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(-c3cccc(Cl)c3)o2)SC1=Nc1cccc(C)n1 2314540188 KUWIWTSFVNHNOJ-UHFFFAOYSA-N 435.936 6.093 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)C2(NC(=O)OC(C)(C)C)CCCCC2)c1 2318920225 HZKKZUXKFCJBQJ-FQEVSTJZSA-N 443.588 5.856 30 10 IKEE COc1ccc(CCN2COc3ccc4c(c3C2)OC(=CC=Cc2ccccc2)C4=O)cc1 2321937459 IRPYQCBVEKGNOA-UHFFFAOYSA-N 439.511 5.262 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(Cl)cc1)C3=O)CN(CCOc1ccccc1)CO2 2322339060 JMPWZHMXMGFSML-UHFFFAOYSA-N 447.918 5.496 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2ccccc2F)cc1C 2322900889 IXOJCAHZJKNKEK-UHFFFAOYSA-N 437.898 6.010 30 10 IKEE COc1ccc(CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2322904232 LBOUQUQKNAINFH-UHFFFAOYSA-N 434.875 5.421 30 10 IKEE Cc1ccc(NN=Cc2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1 2322930335 GFIPWUMERBPLHY-GDLZYMKVSA-N 430.555 6.797 30 10 IKEE Cc1ccccc1COc1ccc(Cl)cc1C=CC(=O)c1cc(C(C)(C)C)ccc1C 2322959193 LUYVDBBUWMZBPQ-UHFFFAOYSA-N 432.991 7.729 30 10 IKEE Cc1ccc(NC(=O)COc2cccc(C=CC(=O)c3ccc4c(c3)CCCC4)c2)cc1C 2323057614 OWQIKCBXLZHQGL-UHFFFAOYSA-N 439.555 6.096 30 10 IKEE Cc1cc(OC(=O)CCc2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1ccccc1F)O2 2323106047 RJHVNXDUJHFUFT-UHFFFAOYSA-N 436.866 5.942 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(OC(=O)c3cc(Cl)ccc3Cl)c2C)C1=O 2323584853 GVXJPLOLGAHTNZ-UHFFFAOYSA-N 445.323 6.507 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(F)cc3F)cc2Cl)c1 2323720905 RZNUHGXLWYNACT-UHFFFAOYSA-N 441.861 5.840 30 10 IKEE COc1cccc(-c2csc(NN=Cc3ccc(OCc4ccccc4)c(Cl)c3)n2)c1 2323839966 USBKUYBOFLCJPJ-UHFFFAOYSA-N 449.963 6.497 30 10 IKEE CCCOc1c(OC)cc(C=NNc2nc(-c3ccc(C)c(C)c3)cs2)cc1[N+](=O)[O-] 2323852752 ZHKOODNLBOMPQG-UHFFFAOYSA-N 440.525 5.579 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2Cl)C3=O)cc1 2323865752 WFTYVISOMJYMAL-UHFFFAOYSA-N 446.886 6.049 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)ccc1F 2323969260 BYHLKIBIEMINFN-UHFFFAOYSA-N 449.736 7.569 30 10 IKEE Cc1cc(O)c(CN2CCCC[C@H]2C)c2c1C(=O)C(=Cc1c(Cl)cccc1Cl)O2 2324010420 ZQWVVYHKIKUCLC-CQSZACIVSA-N 432.347 5.998 30 10 IKEE Cc1cccc(COc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2[N+](=O)[O-])c1 2324066532 WIKZXIQBWUDOFT-UHFFFAOYSA-N 429.516 6.676 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2C)C3=O)cc1 2324380979 RGFMHMCAQYQVAX-LJQANCHMSA-N 427.500 5.634 30 10 IKEE CCc1cccc(CC)c1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1ccccc1)C2=O 2324381432 SDIPGVSZTMQKIH-GOSISDBHSA-N 441.527 5.834 30 10 IKEE Cc1ccc(OCCCOc2cc(C)c3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2324545491 RQXVFOCFHJMQPM-UHFFFAOYSA-N 434.919 6.421 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCCOc4ccc(Cl)cc4)ccc3C2=O)cc1 2324665916 XQHYWMMLZNQCLR-UHFFFAOYSA-N 436.891 5.813 30 10 IKEE COc1ccc(OC)c(C=CC(=O)[C@H](C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)c1 2324721942 MSXYGGHQTSAPIP-NRFANRHFSA-N 446.572 5.951 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc(OCc3cc(C)c(C)cc3C)c2C)C1=O 2324765355 JORCVQQPAMXCDK-UHFFFAOYSA-N 428.528 6.514 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)C=Cc2cccc(Cl)c2)n1 2324794742 MBQTZSMNWSRRFU-OAQYLSRUSA-N 434.992 6.959 30 10 IKEE Cc1ccc(NC(=O)CCOc2cc(C)c3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1 2325234685 RLMGUXIDAIVXOV-UHFFFAOYSA-N 439.511 5.883 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCc4cccc(Oc5ccccc5)c4)cc(C)c3C2=O)cc1 2325348335 TUOWQMHYAAHSAP-UHFFFAOYSA-N 448.518 7.291 30 10 IKEE Cc1cccc(C=Nn2c(CCc3ccccc3)nnc2SCc2cccc(C)c2)c1 2325441754 RTQAELSZGXCLIK-UHFFFAOYSA-N 426.589 5.855 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccc(F)c(F)c4)c3C)C2=O)c1 2325528832 QQZLXHZCEZGHIT-UHFFFAOYSA-N 435.426 5.215 30 10 IKEE CCc1ccccc1OCC(=O)Oc1cccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)c1 2325686408 NWAJOEKOXLRCBI-UHFFFAOYSA-N 431.444 5.038 30 10 IKEE C[C@H](Oc1ccc(Cl)cc1)C(=O)Oc1cccc(C=CC(=O)c2cccc(Cl)c2)c1 2325728593 ZBJIKHMXPOAERC-INIZCTEOSA-N 441.310 6.262 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1cccs1)C2=O)Nc1cccc(Cl)c1Cl 2325734359 PUODRPOCCQOHQH-UHFFFAOYSA-N 446.311 5.689 30 10 IKEE Cc1cc(C)c(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2cccs2)C3=O)c(C)c1 2325736761 ZBCYAVMXDRYEOV-UHFFFAOYSA-N 433.529 5.615 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cccc(OC(=O)c3ccc(OCC(C)C)cc3)c2)c1 2325740676 YEGFPJHIUOSTRA-UHFFFAOYSA-N 428.528 6.454 30 10 IKEE COc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(C(C)C)cc3)c2)cc1[N+](=O)[O-] 2325750815 WQEGHFUIJHOKAU-UHFFFAOYSA-N 445.471 5.842 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OC(=O)c1ccc(N(C)C)cc1 2325759838 MAOSPJGWKRMUIS-UHFFFAOYSA-N 429.516 5.493 30 10 IKEE CSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1ccc(C(C)C)cc1 2325911018 AMBXWMGXTBQBKC-UHFFFAOYSA-N 435.380 5.891 30 10 IKEE Cc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1cc(Cl)c(O)c(Cl)c1 2326567863 XREBXMNHKMRUBC-UHFFFAOYSA-N 445.734 5.566 30 10 IKEE CCCCC1CCC(c2nnc(SCCCO)n2N=Cc2cccc([N+](=O)[O-])c2)CC1 2328194966 VBTYAHQTZRBAMC-UHFFFAOYSA-N 445.589 5.007 30 10 IKEE Cc1ccc(CSc2nnc(CCOc3ccccc3)n2N=Cc2ccccc2)cc1 2329153673 KVLCGRBFVIHQTI-UHFFFAOYSA-N 428.561 5.383 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2)n1N=Cc1ccc(O)c(O)c1 2330108713 KWZXQNYGNMAIRT-KRWDZBQOSA-N 430.533 5.016 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(OC)c1OC(=O)C(F)(F)F 2330654051 ZXJUQCLPVGZEFH-UHFFFAOYSA-N 430.378 5.221 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OC(=O)CCOC 2330700994 RKIMJWFNWTUQJZ-UHFFFAOYSA-N 434.532 5.141 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)cc1)c1ccccc1Cl 2330911150 IZLFWPOIRIXPKZ-RTWAWAEBSA-N 437.322 6.599 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCCc2ccccc2)nnc1[C@H]1CCCO1 2330970168 CUEUWQIJRVNEQT-JOCHJYFZSA-N 436.581 5.135 30 10 IKEE Clc1ccccc1C=Nn1c(SCc2cccc3ccccc23)nnc1C1CCCC1 2331084564 DIZWLSDMGRKMHC-UHFFFAOYSA-N 447.007 6.917 30 10 IKEE C=C(C)CSc1nnc(-c2ccco2)n1N=Cc1ccc(OCc2ccccc2)cc1 2331204859 ALTXOAGQRKVGKH-UHFFFAOYSA-N 430.533 5.668 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(Br)c(OC(C)=O)c(OC)c2)cc1 2331308040 HDNHZJAJFQKMNC-UHFFFAOYSA-N 433.298 5.068 30 10 IKEE CCCCCOc1ccc(C=Nn2c(CC(C)C)nnc2SCCC)cc1OCC 2331463453 KLTAKDPDTCKSPN-UHFFFAOYSA-N 432.634 5.829 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)c1cccs1 2331562805 FVEPUBXRKGMHJM-UHFFFAOYSA-N 448.874 6.194 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(OC)c(Cl)cc2OC)ccc1OC(=O)C1CCC1 2331692734 KPLGWOJOEDTJPR-UHFFFAOYSA-N 444.911 5.358 30 10 IKEE CC(C)C(=O)Oc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1Br 2331860669 VZUJPCHPLLMMRE-UHFFFAOYSA-N 442.136 6.213 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)cc([N+](=O)[O-])c1OC(=O)CC 2331869573 NMURPWODZJHJAV-UHFFFAOYSA-N 449.459 5.367 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2OC)cc(Cl)c1OC(=O)C1CC1 2331877312 OZFLQKKGDRJCEL-UHFFFAOYSA-N 435.303 5.612 30 10 IKEE C=CCN(C[C@H](NCC)c1cc(Br)cc(OC2CC2)c1)C(=O)OC(C)(C)C 2362707690 IBFWJWNALRMBBA-IBGZPJMESA-N 439.394 5.064 30 10 IKEE CC[C@H](NC[C@@]1(C)CCCN1Cc1ccccc1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363828958 ICONIWQRBDCBRE-LBNVMWSVSA-N 448.460 5.081 30 10 IKEE CN(Cc1ccccc1)C1(CNc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCCC1 2365055214 SOTZLCQQAQACCB-UHFFFAOYSA-N 447.432 5.583 30 10 IKEE CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N/c1cc(C(C)C)c(O)cc1C 3019930 JRCSBPUQZUADDP-VHPLVOQASA-N 439.606 5.818 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cn(C[C@H](O)CN3CCc4ccccc43)c3ccccc23)cc1 8611809 SACYANIVAVEYTE-LECGRMGRSA-N 436.555 5.269 30 10 IKEE Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)/C=C/c3ccc(F)cc3)cc(C)c2c1 12240938 OWMNMVAFBQTYEJ-RMKNXTFCSA-N 425.467 5.008 30 10 IKEE Cc1ccc([C@H]2C3=C(C[C@@H](c4cccc(Cl)c4)CC3=O)Nc3nc4ccccc4n32)cc1 19630829 SBVCMFPLLMZDNF-BCHFMIIMSA-N 439.946 6.414 30 10 IKEE COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(S[C@@H](C(=O)O)c3ccccc3)n2)cc1 22868766 BKIIEAZCXBPMAX-LJQANCHMSA-N 444.434 5.566 30 10 IKEE C=CCC[C@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)CC(C)C 36316235 CKCXJZBTVFJHET-DEOSSOPVSA-N 447.623 6.012 30 10 IKEE C=CCC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)CC(C)C 36346124 QQUAINFHKALOOD-VWLOTQADSA-N 447.623 6.067 30 10 IKEE Cc1[nH]n(-c2ccc(C(=O)O)cc2)c(=O)c1C=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1 38203952 HXAJWGLHMRMOMT-UHFFFAOYSA-N 434.536 5.083 30 10 IKEE Cc1csc(/N=C2/S/C(=C\c3cccc4ccccc34)C(=O)N2C2CCCCC2)n1 39865637 IUFAFPPWGBBSJE-SXVBQMOPSA-N 433.602 6.541 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(F)cc1 40094138 YYJDBTMFMACZSS-QHCPKHFHSA-N 439.527 5.547 30 10 IKEE Cc1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2cn(C)c3ccccc23)C4=O)cc1 41661744 UAUKNRORPMKIRX-ZMFRSBBQSA-N 436.511 5.455 30 10 IKEE O=C1/C(=C\c2ccc(N3CCCC3)o2)S/C(=N/Cc2ccccc2)N1Cc1ccccc1 59138435 SKLHHUMOFMMMLT-TVBXNAKKSA-N 443.572 5.553 30 10 IKEE COc1ccc(CSc2nnc(N/N=C/c3ccc(OCc4ccccc4)cc3)[nH]2)cc1 59309655 WUZJCSCXYCPSCO-MFKUBSTISA-N 445.548 5.131 30 10 IKEE C/C(CC(C)C)=N\Nc1nc(SCCC(=O)Nc2cc(Cl)ccc2Cl)n[nH]1 59892222 OZMHDGARIMPPMW-SSDVNMTOSA-N 429.377 5.066 30 10 IKEE N#Cc1cccc(Cn2c(Cc3ccccc3F)nc3scc(-c4ccco4)c3c2=O)c1 96533632 YYULTEILPSCGKK-UHFFFAOYSA-N 441.487 5.368 30 10 IKEE CCCCCCCCCOc1ccc(CNCc2cc(OC)c(OC)cc2Cl)cc1 100153311 HRZLKIXZLUQEJC-UHFFFAOYSA-N 434.020 6.776 30 10 IKEE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)/C(=N\Nc2ccccc2)CC(C)(C)C3)c1 101109147 SPXACEGUGKSMHT-SWKFRHMKSA-N 444.575 7.028 30 10 IKEE CCCCCCCCCCCCn1c(CCNC(=O)c2cccc(C)c2)nc2ccccc21 102140743 XJSJMXVVGSRJJU-UHFFFAOYSA-N 447.667 7.238 30 10 IKEE CCCCCCCCCCCCCC(=O)N(CC(=O)Nc1ccon1)C[C@@H]1CCCO1 103000666 CLZPIKHJUYLPIC-NRFANRHFSA-N 435.609 5.322 30 10 IKEE F[C@H]1OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F 103569470 JWHDCBFZRQLWTF-SFOWXEAESA-N 448.072 5.352 30 10 IKEE O=C(/C=C\Nc1ccc(-c2ccc(N/C=C/C(=O)c3cccnc3)cc2)cc1)c1cccnc1 110032603 YHXPDHJDRWYOGT-SIJTWYJSSA-N 446.510 5.761 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccc(OC)c2)cc1 169934588 MOPJUKJFNKPZSF-XMMPIXPASA-N 427.500 5.349 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1cccs1)c1ccc2c(c1)CCCC2 169985748 AHBKTBRYBFHZJG-JOCHJYFZSA-N 449.959 6.063 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@@H]1c1ccncc1)c1c[nH]c2ccccc12 170018056 LJBYFRFPIRSXAY-OAQYLSRUSA-N 447.853 5.138 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2ccncc2)cc1 170019489 POANRJXITWOEBB-QFIPXVFZSA-N 448.906 5.225 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(CC)cc3)[C@@H]2c2ccccc2)c1 170047440 OPZQECJBOHFUBX-DEOSSOPVSA-N 427.500 5.431 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccccc2)cc1 170054563 AATADSHRFHMSOE-AREMUKBSSA-N 449.506 5.627 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(OC(C)C)cc2)=C(N(C)c2ccccc2)C1=O 170084370 PRBWQPHNIYQCGO-UHFFFAOYSA-N 448.607 6.051 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2sccc2C)cc1 170106274 FCSCWRUNTFYBRN-QFIPXVFZSA-N 447.556 5.855 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc(O)cc1)c1ccc2ccccc2c1 170131403 VYRULKUPNOVJHX-XMMPIXPASA-N 439.442 5.467 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(O)cc2)cc1C 170135716 NNJWPJISMYPPEX-QHCPKHFHSA-N 435.520 5.010 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2ccccc2C)c1 170142826 DPJNZJJGXPKMRB-SANMLTNESA-N 433.507 6.240 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(OC)ccc3Cl)[C@H]2c2cccnc2)cc1 170186008 VZATZWUZUASOMX-JOCHJYFZSA-N 448.906 5.089 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccncc1)c1ccc(Cl)c(Cl)c1 170198231 TWRLPIIFMJBXJV-SFHVURJKSA-N 445.327 5.228 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2CCC)cc1 170215586 FJFLMCDFFFPUIT-HSZRJFAPSA-N 437.536 5.251 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccccc2)ccc1Cl 170223631 VVRMMWSDOSMQFE-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2ccc(C(C)C)cc2)cc1C 170245654 KNTLLKHAZDMLDY-DEOSSOPVSA-N 435.564 5.896 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2C2CCCCC2)cc1 170266583 CVOJOIVBUPOZTA-XMMPIXPASA-N 429.516 5.906 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1C 170271994 URFZPBGBVPDRAZ-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccc2C)c1 170273037 DSZJGKZVZHILKH-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1CCCOC(C)C 170278055 SEOBVRIGSOFDTI-HSZRJFAPSA-N 433.504 5.135 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccco2)cc1C 170285784 AONHCBNBMZCRGH-HSZRJFAPSA-N 431.488 5.305 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2ccccc2O)o1 170301157 ZTYZWAGHFHVUPT-QHCPKHFHSA-N 425.440 5.230 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2sccc2C)c1 170317428 QNGZVVWHYXVFNO-HXUWFJFHSA-N 425.550 5.366 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2sccc2C)ccc1Cl 170319558 GTGDINPFTIPWMC-LJQANCHMSA-N 445.968 5.630 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 170345888 MTPMZPRRNMMLKD-QFIPXVFZSA-N 447.556 5.837 30 10 IKEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 170470699 OGRIZAWWSBUTSW-HSZRJFAPSA-N 449.591 5.546 30 10 IKEE Cc1cc(C)c2c(CC(=O)Nc3oc(-c4ccccc4)c(-c4ccccc4)c3C#N)noc2c1 170494101 RANFIKDRGMKUAO-UHFFFAOYSA-N 447.494 6.425 30 10 IKEE CCc1c(O)c(C(C)=NOCc2ccccc2)c(=O)n(-c2ccccc2)c1-c1ccccc1 252614688 JLVBJKQPWCETHB-UHFFFAOYSA-N 438.527 5.713 30 10 IKEE Oc1ccc(N=C/C=C/c2ccc(Br)cc2)cc1-c1nc2ccccc2s1 252624826 PVZCVHBQXAGIBJ-SKDFXZMKSA-N 435.346 6.847 30 10 IKEE C[C@@H]1CC[C@]2(/N=C/c3ccccc3O)Oc3ccccc3[C@H](/N=C/c3ccccc3O)[C@H]2C1 253571394 OWYKDRRRWCDWCE-QNGRQFRLSA-N 440.543 5.902 30 10 IKEE CCCCCCCCCOc1ccc(C=Nc2ccc(OCC3=CCOCC3)cc2)cc1 254816856 UOGNPLXRAUFTIC-UHFFFAOYSA-N 435.608 7.292 30 10 IKEE CCCCCCCNc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1 257628057 CQCGMVKLOVPQQO-UHFFFAOYSA-N 428.642 5.712 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)s1)NCCC 406631952 IOFDHGSJWSCTJF-HOTGVXAUSA-N 431.440 5.281 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccc(OC)c2)c1 526488676 LXCCHMOJTXRPHX-DEOSSOPVSA-N 426.472 5.023 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(O)cc2)c1 526514341 AKRUKRBJTMMEIG-RUZDIDTESA-N 440.499 5.500 30 10 IKEE CCCCCCOc1ccc(/C=N\n2c(C)nnc2SCc2ccccc2)cc1OC 526800250 XJJDKFUMMPVGFW-UQQQWYQISA-N 438.597 5.729 30 10 IKEE CCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1ccccc1[N+](=O)[O-] 526805412 FLJPXCDFRKKDJT-IWIPYMOSSA-N 437.569 5.611 30 10 IKEE Cc1ccc(COc2ccccc2/C=N\n2cnnc2SCc2cc(C)cc(C)c2)cc1 526808424 IRERAKSMZZZUHS-MBTHVWNTSA-N 442.588 5.957 30 10 IKEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1ccc(OC(C)(C)C)cc1 526813773 DKCYKKOVMNVYFK-MSXFZWOLSA-N 449.407 6.245 30 10 IKEE CCCCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1/N=C\c1cccc(F)c1 526831788 WYHISHQAMGRZQX-CFRMEGHHSA-N 444.532 5.093 30 10 IKEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccc(Cl)c(Br)c1 698373285 DZEMVTQQTOZQFP-KRWDZBQOSA-N 444.801 5.246 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@@]1(C#N)CCc2cc(Br)ccc21 698904524 RIFVCLCSFJOUQV-OAQYLSRUSA-N 447.760 6.209 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 698940853 BSURPJMSONUMRC-MWTRTKDXSA-N 433.524 5.106 30 10 IKEE C=CCN(C[C@H](Cc1cccc(Cl)c1Br)NCC)C(=O)OC(C)(C)C 719504454 MNSRGYQYXODQKD-HNNXBMFYSA-N 431.802 5.046 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 724073752 WYUOSKQMAUMWQF-HJPURHCSSA-N 449.979 5.669 30 10 IKEE C=C1CCC(CC(=O)CC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)CC1 724610232 DLAOHOZGMRLUQK-UHFFFAOYSA-N 440.628 5.642 30 10 IKEE C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Cl)s2)[n+]2cc(O)ccc2C)c1 726573981 VKXLCSCWJOZNGT-UHFFFAOYSA-O 427.958 5.008 30 10 IKEE CCCCc1ccc(N=Cc2cc(Br)c(I)o2)cc1 1084310084 TXTCDYOGYGSTDJ-UHFFFAOYSA-N 432.099 5.740 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)CSc2n[nH]c(NN=C/C=C/c3ccccc3)n2)cc1 1084434782 OFVPVLZWFHBXQU-HRLNPILXSA-N 434.569 5.160 30 10 IKEE COc1ccccc1CN/C(=N/Cc1ccc(C(F)(F)F)cc1)Nc1cc(F)ccc1O 1088665419 ZAGKGCIGSCNGIV-UHFFFAOYSA-N 447.432 5.317 30 10 IKEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)O[C@H](c1csc2ccccc12)C(F)(F)F 1584231257 BSZSFSUZGASQOT-LJQANCHMSA-N 434.439 5.270 30 10 IKEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1Nc1cnn([C@@H]2CC2(F)F)c1 1705793229 QCLWUHINYJFYIY-LJQANCHMSA-N 442.514 5.000 30 10 IKEE CCCCCCCCCCN1C(=O)/C(=C\c2ccc(N(CC)CC)cc2)SC1=S 1858586461 KOELKOYCYISPHF-ZBJSNUHESA-N 432.699 6.875 30 10 IKEE CC(C)Cc1c(Cl)c(C(=O)Nc2ccc(C#N)cc2)nn1Cc1ccccc1Cl 1859379652 VNRKNSNCNUGGRA-UHFFFAOYSA-N 427.335 5.561 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)/C=C/c1ccc(C)cc1 1861096765 RHDUFPYCXXNRDR-KXKTWFEWSA-N 432.674 5.503 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccccc2)n(Cc2ccc(Cl)c(Cl)c2)n1 1862356649 IRXIRMDRINVIRY-UHFFFAOYSA-N 426.347 5.719 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@H]1c1ccc(OCCCC)cc1 1862394104 IRDCDFVKBJEFFO-RUZDIDTESA-N 447.575 5.972 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2c(F)cccc2Cl)cc1C 1862405013 KBEKSWXLNFHQKF-NRFANRHFSA-N 443.902 5.317 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862419842 YUFRJPBJILKHCZ-LHSJRXKWSA-N 429.463 5.130 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cccc(Cl)c1)c1cccc(Cl)c1 1862446675 XZKCXHKUHJASKU-HXUWFJFHSA-N 430.331 5.904 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccccc2C)cc1 1862534711 WWVQSIGJIYLNAV-VWLOTQADSA-N 425.528 5.378 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccccc2Cl)cc1 1862535575 GBGMZCCFMDXNHA-QHCPKHFHSA-N 431.919 5.681 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(Cl)cc1 1862556707 COGOOHABJCVEOC-IRLDBZIGSA-N 440.971 5.859 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1cccc(F)c1 1862590790 PYJZUGRCUWVMDP-JOCHJYFZSA-N 425.500 5.470 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccc1 1862713188 JCWPZZDKMLQTEB-FMNCTDSISA-N 425.528 5.997 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc(OCCC)c1 1862718704 BYYSVKRXPKGLEN-DEOSSOPVSA-N 427.500 5.393 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(C(C)(C)C)cc1 1862738351 ZJBOUJVJFAATDG-OAQYLSRUSA-N 436.508 5.127 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccccc3C(C)(C)C)C2=O)cc1 1862902774 GDHXVZGLBMBQAE-UHFFFAOYSA-N 435.527 5.561 30 10 IKEE N#Cc1ccccc1N1C(=O)C(Nc2ccc3ccccc3c2)=C(c2ccccc2F)C1=O 1862934780 VESSQZQWTZUSMT-UHFFFAOYSA-N 433.442 5.247 30 10 IKEE CCCCCCCCNC1=C(c2ccc(OCCC)cc2)C(=O)N(CCC(C)C)C1=O 1863689331 NRWOJBAAZOGOFE-UHFFFAOYSA-N 428.617 5.552 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(C(=O)O)c(Cl)c1 1866029682 AYXUFFPYLGTHNB-UHFFFAOYSA-N 438.052 8.238 30 10 IKEE C=CCOc1cn(CCc2ccccc2)c(CSCCc2nc3ccccc3[nH]2)cc1=O 1870244217 FONQWUKLAYHCSS-UHFFFAOYSA-N 445.588 5.008 30 10 IKEE C#CCOc1cn(Cc2ccc(Cl)cc2)c(CN(CCCC)CCCCCC)cc1=O 1870561705 ZBSNIBGXJSKHHZ-UHFFFAOYSA-N 443.031 5.744 30 10 IKEE CCCCCCCOc1cn(CC)c(CNc2ccc(OCCCCCC)cc2)cc1=O 1870836286 UCZNREDCRDHKFV-UHFFFAOYSA-N 442.644 6.789 30 10 IKEE C=CCn1cc(OCCCCOc2cccc(C)c2)c(=O)cc1CNc1ccc(C)c(C)c1 1871220852 BACMMSVJJUQBFH-UHFFFAOYSA-N 446.591 5.810 30 10 IKEE Cc1c(OC(=O)Cc2ccccc2[N+](=O)[O-])ccc2c1O/C(=C\c1ccccc1Cl)C2=O 1871374483 MQGYOTPREKDCJA-MTJSOVHGSA-N 449.846 5.321 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OC(=O)/C=C/c4cccs4)c3C)C2=O)c1OC 1871380869 HDJYBIQVJQDEEN-HGKZOJRLSA-N 448.496 5.309 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccccc4Cl)cc(C)c3C2=O)o1 1871407370 XSZVRZQUXQZOHY-ZGFXFUDXSA-N 437.879 5.572 30 10 IKEE COc1ccc(-c2c(C)oc3cc(OCc4ccc(C#N)cc4)c(OC)cc3c2=O)cc1 1871417814 RWODNAYHLGHONB-UHFFFAOYSA-N 427.456 5.236 30 10 IKEE CCCCCOC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O 1871427135 PSOOJYGXOQXSKS-NDENLUEZSA-N 445.309 5.178 30 10 IKEE CCCCCCCCCOc1ccc2oc(=O)c(-c3ccc(OC)c(OC)c3)c(C)c2c1 1871429967 WOWSSFIFYTXIBE-UHFFFAOYSA-N 438.564 6.915 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 1871450362 GTPYSGPZIZHDCE-YMKHCOABSA-N 445.490 5.973 30 10 IKEE COc1ccccc1/C=C1\Oc2c(ccc(OCC(=O)Nc3ccccc3Cl)c2C)C1=O 1871455425 LXOFLSUOGWAWGO-XKZIYDEJSA-N 449.890 5.291 30 10 IKEE Cc1cccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(Br)cc3)cs2)c1C 1872765787 WYPBBOGVRNGZTK-KRWDZBQOSA-N 441.350 5.445 30 10 IKEE N#C[C@H](C(=O)c1ccccc1Cl)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872779258 FRALECZBPCRTQF-HXUWFJFHSA-N 430.916 6.746 30 10 IKEE CCc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2cc(C(C)(C)C)ccc2C)cs1 1872785616 RCSMUZKVHBVZEN-NRFANRHFSA-N 432.589 6.234 30 10 IKEE Cc1cc(C)c(-c2csc([C@@H](C#N)C(=O)CCCOc3ccccc3Cl)n2)c(C)c1 1872785851 ATXJIQZJUIGTKC-SFHVURJKSA-N 438.980 6.424 30 10 IKEE CCCCC1CCC(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)CC1 1872788597 LXOBZSSKXRNDPU-XWEVFREBSA-N 446.616 7.145 30 10 IKEE CCCCCCCCNC1=C(c2cc(F)cc(F)c2)C(=O)N(CCCCCCCC)C1=O 1873113211 MZDNHJJPPDYDAI-UHFFFAOYSA-N 448.598 6.355 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2C(C)(C)C)=C(c2cccc(Cl)c2Cl)C1=O 1873341871 OHGHZXDSJJRTJH-UHFFFAOYSA-N 429.347 5.669 30 10 IKEE COc1cccc(/C=N/Nc2oc(-c3ccccc3)nc2C#N)c1OCc1ccc(F)cc1 1873470229 CNLMYHBEPXNXTR-RWPZCVJISA-N 442.450 5.386 30 10 IKEE Cc1cc(C)cc(CSc2nnc(C)n2/N=C/c2ccc(OC(=O)c3ccco3)cc2)c1 1873501800 PNJNWJSZRLNQPV-AFUMVMLFSA-N 446.532 5.190 30 10 IKEE Sc1nnc(Cc2cccs2)n1/N=C/c1cccc(OCc2cccc(Cl)c2)c1 1873504651 GBHGFFZBLOFJOI-YDZHTSKRSA-N 440.981 5.334 30 10 IKEE COc1ccc2nc(/C=N/n3c(SCc4ccccc4F)nnc3C(C)C)ccc2c1 1873505605 VUSBEJBDHDHLBA-DHRITJCHSA-N 435.528 5.272 30 10 IKEE CCCCCCCCCCNc1ncnc2c1ccc(=O)n2-c1cccc([N+](=O)[O-])c1C 1873542357 WCCULGALFXITEN-UHFFFAOYSA-N 437.544 5.550 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(Oc3ccccc3)cc1)n2CC(C)C 1873613076 WGFWGNSUUQPXNQ-UHFFFAOYSA-N 441.535 5.730 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccccc1F 1874215899 HGNIFAMDNKFYJP-AFUMVMLFSA-N 444.963 5.633 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCC(=C)C)n1/N=C/c1ccc(CC)cc1 1874226973 NFWWRPNJNQPWQW-WGOQTCKBSA-N 448.592 5.535 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1cn(C)c2ccccc12 1874253754 KQDNVVMZPJUGGY-YZSQISJMSA-N 445.592 5.250 30 10 IKEE CSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccc(Cl)cc1Cl 1874265724 LEPURSPAAWALKU-ZVBGSRNCSA-N 427.744 5.421 30 10 IKEE C=CCSc1nnc(COc2ccccc2OC)n1/N=C/c1ccc(C(F)(F)F)cc1 1874291361 QMKKEMMDDINYNZ-DHRITJCHSA-N 448.470 5.045 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccccc3F)n2/N=C/c2ccco2)cc1 1874303297 RPDITLRWBLEZIG-MFKUBSTISA-N 436.512 5.174 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3F)n2/N=C/c2ccccn2)c(C)c1 1874327391 LLFKNMASYBIGHY-MZJWZYIUSA-N 447.539 5.183 30 10 IKEE CCCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccccc1OC(C)C 1874342633 AHEAWABGYVLOLS-BUVRLJJBSA-N 428.989 5.694 30 10 IKEE Clc1ccc(CSc2nnc(Cc3ccc(Cl)cc3)n2/N=C/c2ccco2)cc1 1874343394 PHABNPHAJOWMAC-ZMOGYAJESA-N 443.359 5.943 30 10 IKEE CCCOc1c(/C=N/n2c(SCCC)nnc2[C@H](C)c2ccccc2)cccc1OC 1874398958 GOPTZKMDGPBWRZ-UPMNJHNBSA-N 438.597 5.612 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCCc2ccccc2)n1/N=C/c1ccccc1F 1874400597 VBMQVVPHIPGPMH-WRGIWNTCSA-N 430.552 5.786 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2cccs2)c1C 1874426099 RBRMTUDRHWWSAS-ZVHZXABRSA-N 447.589 5.236 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2[C@@H]2CCCO2)cc1 1874451016 PXXHHXMRLSZYLK-PGLVWIQMSA-N 426.973 5.520 30 10 IKEE CC(C)(C)c1nnc(SCc2ccccc2Cl)n1/N=C/c1cc(Cl)ccc1O 1874484253 MTKUEITWDBSTRU-FOKLQQMPSA-N 435.380 5.763 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2cccc3ccccc23)nnc1C(C)(C)C 1874485516 ZTJYPNHKDPSCMV-WGOQTCKBSA-N 430.577 5.912 30 10 IKEE COCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1ccc(C(F)(F)F)cc1 1874502274 ZJAIJXAEWAQSNJ-OPEKNORGSA-N 434.487 5.235 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(C)n1/N=C/c1c(Cl)cccc1Cl 1874530226 XSFNTRGIFPYNHE-FOKLQQMPSA-N 448.379 5.069 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cc(Br)ccc2OCc2cccc(F)c2)c1 1874580433 NSCGYUASCYYGNV-CSKARUKUSA-N 439.324 6.680 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3cccc(Cl)c3)c(OC)c2)cc1 1874604597 WEDAFUVIOGXIBD-JLHYYAGUSA-N 436.935 6.395 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(F)c3)c(OCC)c2)cc1 1874607311 HQUKUWUQCZYSSV-FOWTUZBSSA-N 432.535 7.042 30 10 IKEE CCc1ccccc1NC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccccc2)cc1OC 1874614367 NIMRRNYHLCDDRQ-BUHFOSPRSA-N 449.934 5.825 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OC 1874618789 SXORUKJVKFFMGB-WYMLVPIESA-N 443.543 5.788 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1cccc2ccccc12 1874623745 SKWHMKSHHBWWDF-XNTDXEJSSA-N 433.334 7.622 30 10 IKEE CCCNC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OCC 1874623904 BMRNGJOVDAXXGW-KPKJPENVSA-N 443.971 5.663 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OCc1ccccc1C 1874630739 RKHGPBDQEVBPNS-ACCUITESSA-N 430.544 6.494 30 10 IKEE CCCc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccccc3Cl)c2)cc1 1874696998 QQSAZIVNLYICGL-DTQAZKPQSA-N 434.919 6.173 30 10 IKEE CCCOc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(OCC)cc3)c2)cc1 1874701327 MSUBTEWTCJAHJY-LICLKQGHSA-N 444.527 5.918 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cccc(OC(=O)CCc3ccccc3)c2)c1 1874712073 QHXDXLDBPLZYEG-DTQAZKPQSA-N 444.527 5.918 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)c(C)c3)c([N+](=O)[O-])c2)c1 1875101936 INTPJERZMFHQJT-JXMROGBWSA-N 449.434 5.095 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)c(C)c3)c(OC)c2)cc1 1875101980 UIYOYNDMGFPKDD-MDWZMJQESA-N 432.491 5.749 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)c1ccc([N+](=O)[O-])cc1 1875117909 XVOVVLJMTXXHMU-KGVSQERTSA-N 442.254 6.017 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(Cl)cc3)cc2)cc1 1875136400 MYVDMWOVAKDBAR-FRKPEAEDSA-N 434.919 6.173 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3C)cc2)c1 1875171830 PBDBHLVCGFRBOJ-FOWTUZBSSA-N 430.500 5.908 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2OC)ccc1OC(=O)Cc1ccccc1 1875176391 GOADJTCUVNXVFU-GXDHUFHOSA-N 446.499 5.147 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCSC)c([N+](=O)[O-])c2)cc1Cl 1875188863 NCYXQUOUHRBPKU-VMPITWQZSA-N 449.912 5.202 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1Cl)c1ccc(F)cc1 1875189263 HCDLJFYZCBXJER-XLUWADSXSA-N 449.692 6.901 30 10 IKEE C#C[C@H](C)[C@@H](NCCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875673393 VMJYOEMQDSJHJY-GJDOKZOISA-N 443.587 5.516 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cc(C)nc4c(C)cc(C)cc34)ccc21 1890777692 GDWMWOANUSRKPF-UHFFFAOYSA-N 443.547 5.350 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NC)c1ccc(Br)cc1Br 1922068779 LECLTMOPIDMUEH-GOSISDBHSA-N 425.164 5.245 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@@H](C(F)F)N(C)C(=O)OC(C)(C)C)NCCC 1939761295 GNUBTNDKRPSZKD-PMACEKPBSA-N 426.548 5.018 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)C1CC2(CCN(C(=O)OC(C)(C)C)C2)C1 1998283167 VSBDCQJTAHEQDR-VVCJCJSVSA-N 428.617 5.165 30 10 IKEE CC#CCCCC[C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2019511670 XTOKIHYTKZIZNR-OEMFJLHTSA-N 430.633 5.437 30 10 IKEE C=CCCCCCCCC[C@H](N)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2026310500 QJTOBYNGZQABPZ-ZEQRLZLVSA-N 432.649 6.121 30 10 IKEE CC[C@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)CN1C(=O)OC(C)(C)C 2040670849 LPZKZPLXPHPPKP-MHECFPHRSA-N 447.551 5.639 30 10 IKEE N#Cc1c(-c2c(Cl)cccc2Cl)noc1C=CNc1cc(Cl)cc(Cl)c1 2053528112 ACOZVZSUNBNUCP-UHFFFAOYSA-N 425.102 6.910 30 10 IKEE CC(C)c1nn([C@H](c2ccc(C3CC3)cc2)C(C)C)c(I)c1C#N 2079015468 UZLXUPOMEKRZFO-IBGZPJMESA-N 433.337 5.606 30 10 IKEE Cc1ccc(F)c(-c2cc(Cl)n3nc(C4CCCC4)c(C#N)c3n2)c1Br 2081390394 PKMYVSHJDKOKER-UHFFFAOYSA-N 433.712 5.789 30 10 IKEE N#Cc1ccc(Br)cc1NCc1ccc(Br)cc1Br 2092169151 RSPLSCRGYOLIHG-UHFFFAOYSA-N 444.952 5.458 30 10 IKEE N#Cc1c(Br)cccc1NCc1c(Br)cccc1Br 2094134828 VSLREQWVCZYZPK-UHFFFAOYSA-N 444.952 5.458 30 10 IKEE N#Cc1c(F)cc(Br)cc1Nc1cc(Br)cc(Br)c1 2107440168 GUPXZISLYLELSH-UHFFFAOYSA-N 448.915 5.728 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H](Nc2cc(Br)cc(F)c2C#N)C1(C)C 2138972803 LTIXCAYZXNGSFO-INIZCTEOSA-N 426.330 5.050 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)c(F)c1F 2145544023 MCHQSMBYBBRAKK-YJBOKZPZSA-N 445.348 5.075 30 10 IKEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1c(F)cc(C)cc1Br 2173405577 RJLFTHNIYCHZOK-QGZVFWFLSA-N 442.373 5.040 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](O)c1c(F)cc(C)cc1Br 2173407313 LYGASADNXKTUFA-FGZHOGPDSA-N 436.365 5.071 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)Nc2cccc(CC#N)c2)c1 2181044833 JMESGVPPNIJTQW-UHFFFAOYSA-N 430.302 5.114 30 10 IKEE CC[C@@H]1CN(c2cc(Cl)c(F)cc2C#N)[C@H](CC)CN1C(=O)OCc1ccccc1 2184423574 SNSVEMULHINHDW-RTBURBONSA-N 429.923 5.367 30 10 IKEE C=CCC1([C@H](NC)c2sc(C)c(Br)c2C)CN(C(=O)OC(C)(C)C)C1 2217530201 YMEOERYGTBMXDA-MRXNPFEDSA-N 429.424 5.201 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CCCC[C@]2(C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)C1 2221551192 ANBKJPMADFLGQP-RUZDIDTESA-N 447.620 5.630 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(C)c(Br)c(C)c1 2227363067 SYBAHNROLMIDQT-IEBWSBKVSA-N 425.411 5.576 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCC2)C[C@@H]1C(F)(F)F 2252637457 FFDVQSVGCCCYIO-QRWLVFNGSA-N 447.498 5.000 30 10 IKEE N[C@H](C#CC1CCCCC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2261016897 YWIPWVVNSMHPPP-HHHXNRCGSA-N 425.572 6.428 30 10 IKEE CC(C)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)c1 2282654365 JWKUKIISWZSSGX-FQEVSTJZSA-N 447.428 5.550 30 10 IKEE Cc1c(NC(=O)OC(C)(C)C)ccc([C@@H](O)C#Cc2ccc(Br)cc2)c1C 2296289457 RUNYGRBZLBOUPX-FQEVSTJZSA-N 430.342 5.498 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)CCCCN(C)C(=O)OC(C)(C)C 2296304696 KGPXRKBDOLYDIG-HXUWFJFHSA-N 437.422 5.206 30 10 IKEE Clc1cccc(C=Nc2ccc3oc(-c4ccccc4Br)nc3c2)c1Cl 2297708102 DXSHWFWUQZLXIZ-UHFFFAOYSA-N 446.131 7.315 30 10 IKEE CCCCCCCCN1C(=O)C(=CC2=Cc3cccc(OC)c3O[C@@H]2C)SC1=S 2314450685 LLCQCHZZOQGXRA-MRXNPFEDSA-N 431.623 5.964 30 10 IKEE CC(C)c1ccc(C=C2SC(=Nc3cccnc3Cl)N(C3CCCCC3)C2=O)cc1 2314540743 XHIGFHZVFXEPIV-UHFFFAOYSA-N 440.012 6.795 30 10 IKEE CCCCOc1ccc(C=Nn2c(C)nnc2SCc2ccccc2F)cc1OC 2321153313 KEBOAFROYNXQFG-UHFFFAOYSA-N 428.533 5.088 30 10 IKEE Cc1cc(OCc2ccc([N+](=O)[O-])cc2)cc2c1C(=O)C(=Cc1ccc(C(C)C)cc1)O2 2321853863 YQGORZXXFOZZNK-UHFFFAOYSA-N 429.472 6.222 30 10 IKEE CCOCCCN1COc2c(cc3c(c2C)OC(=Cc2ccc(Cl)cc2Cl)C3=O)C1 2322391535 GWZYXIAPTXMNQK-UHFFFAOYSA-N 448.346 5.497 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2c(OCc3ccc(Cl)cc3)ccc3ccccc23)c(C)c1 2322948505 ONBNZDJVDAABQD-UHFFFAOYSA-N 440.970 7.894 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccccc2OCC(=O)N[C@H](C)c2ccccc2)cc1C 2322981363 AEQCSAGEPRZBMT-OAQYLSRUSA-N 443.543 5.464 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(=O)C=Cc4ccc(C)cc4)cc(C)c3C2=O)c1 2323060666 BVLNDTHTPMSXIY-UHFFFAOYSA-N 426.468 5.547 30 10 IKEE CCOc1c(OC)ccc(C=CC(=O)c2ccc(Cl)cc2Cl)c1Br 2323075938 VWJJKPBPABSWMU-UHFFFAOYSA-N 430.125 6.059 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)cc(C)c2C1=O 2323310733 JUCJFTXNQWZUOR-UHFFFAOYSA-N 445.427 5.137 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OCC(=O)N[C@H](C)c3ccccc3)c2)cc1C 2323318031 RNTUOJXWCZRSCL-OAQYLSRUSA-N 443.543 5.464 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1 2324451487 RWJJEWIUBHQBRM-GOSISDBHSA-N 441.483 5.274 30 10 IKEE COc1ccc(C)cc1-c1csc([C@H](C#N)C(=O)C=Cc2ccc(Cl)c(Cl)c2)n1 2324572467 MMWGUIVDUXCJEP-MRXNPFEDSA-N 443.355 6.324 30 10 IKEE C=C(C)COc1c(OCC)cc(C=CC(=O)c2ccc(OC)c(Cl)c2)cc1[N+](=O)[O-] 2324622985 INEPLCBODOKXGW-UHFFFAOYSA-N 431.872 5.507 30 10 IKEE O=C1C(=CC=Cc2ccccc2)Oc2cc(OCCOc3cccc4ccccc34)ccc21 2324693747 PTEGLJRIVRAOAU-UHFFFAOYSA-N 434.491 6.470 30 10 IKEE CCCC[C@@H](Oc1cc(C)c2c(c1)OC(=Cc1cn(CC)c3ccccc13)C2=O)C(=O)O 2324781923 KCVUPCRDXBNKMX-OAQYLSRUSA-N 433.504 5.608 30 10 IKEE CCc1ccc(NC(=O)[C@H](CC)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C)o2)C3=O)cc1 2324820511 QKWRUQXNXKUIRT-QFIPXVFZSA-N 445.515 5.871 30 10 IKEE Cc1c(O[C@@H](C)C(=O)Nc2ccc(C#N)cc2)ccc2c1OC(=Cc1ccc(F)cc1)C2=O 2325302302 ZBDGDCBYYHFRBU-INIZCTEOSA-N 442.446 5.028 30 10 IKEE CC(=O)c1cccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2sccc2C)C3=O)c1 2325385009 SPBCPJFTCPVBFI-UHFFFAOYSA-N 447.512 5.201 30 10 IKEE CCCCCOc1ccc(C=Nn2c(CC)nnc2SCc2ccccc2)cc1OC 2325590014 FBEVAUOASFSACK-UHFFFAOYSA-N 438.597 5.593 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3c(F)cccc3Cl)c2)cc1 2325718467 CXAYJNOYPSUNIA-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2Cl)C3=O)c1 2325721977 SVGBYLSEILAZKI-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3c(C)ccc(C)c3C)c2)c(C)c1 2325736293 ZFCBGFPIIJCJMU-UHFFFAOYSA-N 428.528 6.109 30 10 IKEE CCc1ccc(CCC(=O)Oc2cccc(C=CC(=O)c3cc(OC)ccc3OC)c2)cc1 2325744527 QMBYPPGYFAHMQO-UHFFFAOYSA-N 444.527 5.701 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccccc1Cl 2326074897 STTLILUTYXGOKK-UHFFFAOYSA-N 447.391 5.757 30 10 IKEE CCCc1nnc(SCc2ccccc2)n1N=Cc1ccccc1COc1ccccc1 2326220499 JALDOWWCGRSTAQ-UHFFFAOYSA-N 442.588 5.984 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccc(OCC)c(Cl)c1 2326382443 YNACHQAFKUAZOD-UHFFFAOYSA-N 428.989 5.766 30 10 IKEE CCCOc1ccc(C=Nn2c(CC)nnc2SCc2ccc(C)cc2C)cc1Cl 2326442443 XREHDDDBADVNJT-UHFFFAOYSA-N 443.016 6.074 30 10 IKEE CCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccc(C(C)C)cc1 2326519883 UZSSRRVRUWXQHV-UHFFFAOYSA-N 428.989 5.937 30 10 IKEE COc1cccc(CCc2nnc(SCc3ccccc3)n2N=Cc2cccc(F)c2)c1 2328641123 HLJGKBMWKGZUAZ-UHFFFAOYSA-N 446.551 5.386 30 10 IKEE Clc1ccccc1CSc1nnc(CCOc2ccccc2)n1N=Cc1ccccc1 2329200382 NCMJEQTUUUZXFA-UHFFFAOYSA-N 448.979 5.728 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2C)n1N=Cc1ccc(OCCCC)cc1 2329485081 NOBQCNPSBCGFLS-UHFFFAOYSA-N 448.636 6.101 30 10 IKEE Cc1ccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2-c2ccccc2Cl)cc1 2329577055 VBPLEJVJZAKDNV-UHFFFAOYSA-N 447.007 6.698 30 10 IKEE Cc1cccc(C)c1OCC(=O)Oc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1 2330623319 GOSJJRDAZONDFU-UHFFFAOYSA-N 431.444 5.092 30 10 IKEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)Cc1ccc(F)c(C)c1 2330645780 ZONKWPXSXYUJAN-UHFFFAOYSA-N 449.434 5.095 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)C(C)(C)C)c(OC)c2)cc1OC 2330707164 FQTKASZBUOGGIX-UHFFFAOYSA-N 432.900 5.213 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3OC)c(Cl)c2)cc1 2330747624 TVFFGSRQHZYRCP-UHFFFAOYSA-N 448.946 6.345 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3Br)cc2)c1 2330775829 RTWKIHNPOHPESK-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE O=C(Cc1ccccc1)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1Cl 2330807732 LXBUYNRIOFNISY-UHFFFAOYSA-N 445.729 6.691 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)c(C)c3)c(Cl)c2)cc1 2330833026 IBSUOLDKAXFQTD-UHFFFAOYSA-N 446.974 7.415 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(F)c3)c(Cl)c2)cc1 2330833093 SICKZVHHJDDDRV-UHFFFAOYSA-N 436.910 6.937 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3Cl)c(OC)c2)cc1 2330846564 KYLNNLSPDZWYPR-UHFFFAOYSA-N 448.946 6.807 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(Cl)cc1 2330862780 HRUXNUZTTRBEOJ-UHFFFAOYSA-N 449.023 6.848 30 10 IKEE Cc1ccc(C=Nn2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2C2CCCC2)cc1 2331044439 JCGGDEUJCOHOLA-UHFFFAOYSA-N 447.608 5.474 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 2331081502 RUSQXYJMJASULM-UHFFFAOYSA-N 446.543 5.722 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OC(=O)c1ccccc1[N+](=O)[O-] 2331159845 YNICBODHKBVKHK-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)c1cc(C)cc(C)c1 2331279438 YYOVIKWHIJJAIC-UHFFFAOYSA-N 448.946 6.779 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)CC(C)C)c(OC)c2)cc1 2331293686 PYVYWFVYMFIROK-UHFFFAOYSA-N 430.928 5.985 30 10 IKEE COCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(Cl)cc1 2331319439 SOTSMOWBKIOBPZ-UHFFFAOYSA-N 439.343 5.087 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)Cc1ccc(OC)cc1 2331344505 RMUFVSWPXZNRIC-UHFFFAOYSA-N 448.490 5.586 30 10 IKEE COc1ccccc1C=Nn1c(SCc2c(Cl)cccc2Cl)nnc1C1CCC1 2331533423 XYWKXSSUGSKTED-UHFFFAOYSA-N 447.391 6.036 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)c(OC)c1 2331717048 IQTKLCGCPZPVSH-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(Cl)cc2)cc1 2331752328 AACSFNRRFIWCIE-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)COc3c(C)ccc(C)c3C)cc2)c(C)c1 2331764519 NZPFGIRZMAMZBG-UHFFFAOYSA-N 442.555 6.418 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc(Cl)c1OC(=O)CC(C)C 2331780364 SIBZOFUDWJXTNB-UHFFFAOYSA-N 442.983 6.802 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C(C)(C)C)ccc3C)cc2)cc1 2331780542 NMMAVBYXOPVFEG-UHFFFAOYSA-N 442.555 6.807 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3C)cc2)cc1Cl 2331804763 AKEICHXMDOJDPQ-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE CCN[C@@H](C#C[C@@H]1CC1(F)F)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2341016608 YEJXXARFDFULHB-WBMJQRKESA-N 429.305 5.105 30 10 IKEE COc1cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2C)c(Br)cn1 2362200104 XINBEDMEPFPBJI-KRWDZBQOSA-N 432.318 5.168 30 10 IKEE C=C1CCC(C[C@H](OCCN)c2sc(Cl)cc2I)CC1 2366694091 PJNMJFTZARZQJM-ZDUSSCGKSA-N 425.763 5.159 30 10 IKEE CO[C@H](C#C[C@@H](N)c1cc(NC(=O)OC(C)(C)C)ccc1Br)C1CCCC1 2369568038 KUXFEZMIASDQMP-RTBURBONSA-N 437.378 5.005 30 10 IKEE Cc1cc(COc2ccc(Br)cc2Cl)ccc1B1OC(C)(C)C(C)(C)O1 2369684467 QFCCFAOTVUSDIP-UHFFFAOYSA-N 437.570 5.289 30 10 IKEE C=CCn1c(COc2cc(C)c(Cl)c(C)c2)nnc1SCC(=O)Nc1ccccc1 13849144 HTQRGJWIIPSNNO-UHFFFAOYSA-N 442.972 5.044 30 10 IKEE CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1OC 20882062 KJXWZCAMVQCZOM-QUGAMOGWSA-N 446.572 6.135 30 10 IKEE C=C(C)CN(CC)C(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccccc1C 20888504 HEFSTMXGSMNSMS-UHFFFAOYSA-N 445.592 5.241 30 10 IKEE N#Cc1nc(-c2ccc(COc3ccccc3)o2)oc1N1CCC(Cc2ccccc2)CC1 20890994 RNBAKCFKBJBMOC-UHFFFAOYSA-N 439.515 5.844 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2O[C@@H](C)CC)cc1 21220322 HUKXAHMBWTVVAI-KPLVRAHFSA-N 433.548 5.267 30 10 IKEE COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc3ccccc23)c1 21255632 UXOZTIICNQGBSD-IIMAJNMQSA-N 446.550 6.828 30 10 IKEE CCc1cccc(N/C(=N\C(=O)c2cccc(Cl)c2)NCCc2c[nH]c3ccccc23)c1 32943054 ZPQRFSZRERRVRU-UHFFFAOYSA-N 444.966 5.824 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccc(C(C)C)cc1 40081134 HXIRMWUDLRVMCC-VWLOTQADSA-N 449.591 6.223 30 10 IKEE COc1ccc2c(c1)c(/C=C1\Oc3cc(OCc4cccc(F)c4)cc(C)c3C1=O)cn2C 41509820 ZPVJDNWWBSLYRB-GATIEOLUSA-N 443.474 5.830 30 10 IKEE Cc1nn(Cc2ccccc2Cl)c(C)c1/C=N/Nc1c(F)c(F)c(F)c(F)c1F 59154117 URLSHABIVZKPHN-IOXBOXJCSA-N 428.792 5.343 30 10 IKEE O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C/c1ccc(Br)s1 59566980 ZPGPQDDZCPICRL-UXBLZVDNSA-N 434.167 5.709 30 10 IKEE CCCCN(CCCC)C[C@@H](O)Cn1cc(/C=C\C(=O)c2cccs2)c2ccccc21 96498772 DPWWHDCODBZROS-KCNXZKISSA-N 438.637 5.862 30 10 IKEE CCCCCCCCCCCCCCCCNCC(=O)Nc1cc(Cl)cc(Cl)c1 100055502 IEHSLUWMXFYLHU-UHFFFAOYSA-N 443.503 8.003 30 10 IKEE CCCCCCCCOc1ccc(C(NC(=O)CCCC)NC(=O)CCCC)cc1OC 101118263 JRHHKHGSFSIQIW-UHFFFAOYSA-N 448.648 6.046 30 10 IKEE Cc1cc(C)c2c(c1)/C(=C1\S/C(=N/c3ccccc3)N(c3ccccc3)C1=O)C(=O)N2 103358390 CWAFIWKLHMDAAM-BMRAXTPNSA-N 425.513 5.434 30 10 IKEE CCCCCCCn1cnc2sc(CC)c(-c3ccc(Br)cc3)c2c1=O 103725672 LJPPTDMNULSCQQ-UHFFFAOYSA-N 433.415 6.420 30 10 IKEE C=C(C)[C@@H]1CCC(C(=O)O)=C[C@H]1c1c(OC(C)=O)cc(CCCCC)cc1OC(C)=O 136856431 MDYNYMCNJUZKOM-LEWJYISDSA-N 428.525 5.351 30 10 IKEE in-vitro CC(C)Oc1c(Br)cc(/C=N/Nc2ccc(F)cc2)cc1Br 169879079 XXVYDUYWAZGIOZ-AWQFTUOYSA-N 430.115 5.584 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccc(N(C)C)cc2)cc1C 169954082 JWUJCGCEJJMESR-VWLOTQADSA-N 440.543 5.461 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccc(C)cc2)cc1 170029399 BBGZPCQKRQAJJV-VWLOTQADSA-N 441.527 5.793 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2C2CCCCC2)c1 170039219 ZZKHZGZQPHKFIV-XMMPIXPASA-N 433.548 5.559 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(O)cc2)c1 170131553 CVTIJZHYGIJBPZ-QHCPKHFHSA-N 447.462 5.103 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2cccc(C)c2)cc1 170142224 HTPHLNLNWMEWHC-DEOSSOPVSA-N 425.484 5.021 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cc(C)c(OC)cc3C)=C(O)C(=O)N2C2CCCC2)cc1 170214882 MFSAVMZAZWFZNP-XMMPIXPASA-N 449.547 5.232 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1)c1ccc(Cl)c(Cl)c1 170231471 JMLRTGNQKHNXRJ-HXUWFJFHSA-N 430.331 5.904 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccc(O)c2)cc1C 170259691 IBPWMSWZNWLDRV-XMMPIXPASA-N 443.499 5.109 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccc2C)c(OC)c1 170271443 JDPJKMUMFACLGJ-XMMPIXPASA-N 443.499 5.104 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)c(Cl)c2)=C(O)C(=O)N1Cc1ccco1 170274120 IDYKBHVPPMLQTJ-FQEVSTJZSA-N 442.298 5.673 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccco2)cc1C(C)C 170285609 PWPBKWGCDQBGGX-DEOSSOPVSA-N 445.515 5.811 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccco2)cc1 170286330 AVWIINVODGFNFR-HSZRJFAPSA-N 431.488 5.632 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2O)[C@@H]1c1ccc(C)o1 170304421 NNGQQNCNJGSFGV-JOCHJYFZSA-N 447.487 5.010 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@H]1c1sccc1C 170318590 ZFJGOKCCFUHCEF-FQEVSTJZSA-N 441.593 5.741 30 10 IKEE C=CCOc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCCC)c1 170324173 HEGNOFSTVBPVTK-VWLOTQADSA-N 441.527 5.783 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccco1 170379692 LRHUSAMFTIFDOR-GOSISDBHSA-N 432.234 5.508 30 10 IKEE Cc1cccc(Oc2ccc(N3C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]3c3cccnc3)cc2)c1 170481349 LMJUNGUKNXFABN-HSZRJFAPSA-N 442.515 5.698 30 10 IKEE CCOc1ccc2nc(NC(=NC)Nc3nc4ccc(OCC)cc4s3)sc2c1 195987159 IXQPIIDKUUEQAK-UHFFFAOYSA-N 427.555 5.213 30 10 IKEE CCCCCCCCC[C@H](O)c1cc(Br)ccc1I 232938358 UNIDIPNYPOWSAK-INIZCTEOSA-N 439.175 6.228 30 10 IKEE Cc1[nH]c2ccccc2c1C=Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 252619406 LOQGFQMILICOSK-UHFFFAOYSA-N 427.573 6.097 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2O[C@H](C)CC)cc1 253561447 CCYOCMCYRGDXNQ-RFWXGWTQSA-N 447.575 5.657 30 10 IKEE CCn1c2ccccc2c2cc(C=NN=Cc3ccc4c(c3)c3ccccc3n4CC)ccc21 254758972 KCJZDFJMCCVCNA-UHFFFAOYSA-N 442.566 7.395 30 10 IKEE CC(=NOC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)c1ccccc1 254841645 SSXOHEQGAJMMCH-UHFFFAOYSA-N 437.468 5.283 30 10 IKEE Cc1c(C(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)c(O)n([C@H](C)c2ccccc2)c(=O)c1C#N 256020376 QKIDBTHTVNGGPZ-AZOIQLNYSA-N 445.346 5.117 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2sccc2C)cc1OC 526490689 XJWOOUHLWDUSBK-OAQYLSRUSA-N 432.501 5.003 30 10 IKEE C(=N\n1c(CCc2ccccc2)nnc1SCc1ccccc1)\c1c[nH]c2ccccc12 526799199 DFZRILGETKQKJA-VEILYXNESA-N 437.572 5.719 30 10 IKEE CCCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1ccc(OC)cc1 526805344 DYOCNZCOTKTOHN-ONUIUJJFSA-N 436.625 6.101 30 10 IKEE C=C(C)CN(c1ccc(Br)c(C)c1)S(=O)(=O)c1cc(C)c(C)cc1OC 586218034 MWSXVLGCSJQVTB-UHFFFAOYSA-N 438.387 5.154 30 10 IKEE COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)/C(=C/c3cccc(-c4ccccc4)c3)C[C@@H]12 606629781 ICSOENKICFYXCP-YBCDOZJKSA-N 448.606 7.481 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 698869708 MWPMLXDPPNFTEM-FDDCHVKYSA-N 433.524 5.249 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]([C@@](C)(C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)C1 698911473 QOJPIEQHMFSHJG-OPAMFIHVSA-N 435.590 5.024 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]([C@](C)(C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 699658292 JWLWPPWSRVBWEV-XDHUDOTRSA-N 447.551 5.497 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)c(F)c1F)NCC 701300175 REVURTHBLVHNAD-HOTGVXAUSA-N 447.364 5.107 30 10 IKEE CCCCCCCC[C@H](NCCC)c1scc(Br)c1Br 705517276 OPYPNJFVLYQSSZ-AWEZNQCLSA-N 425.274 7.064 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@@H](C#N)c1sncc1Br 711916055 AKRSVNKIQKOQSS-ZDUSSCGKSA-N 428.739 5.565 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@@]1(C#N)C[C@@H]2C[C@@H](CN2Cc2ccccc2)C1 716630160 NNNNUHPBJOLDLJ-UVWWXKGLSA-N 435.543 5.514 30 10 IKEE COCC/N=C(/NCc1cccc2ccccc12)Nc1cc(-c2ccccc2)ccc1O 1088710178 ZGCZFQHIWTWPBH-UHFFFAOYSA-N 425.532 5.417 30 10 IKEE CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C)C(=O)/C(=C/c4cn(C)nc4C)C[C@H]32)C1 1565534785 DXRJBJUDWMWZPC-UUERXLGKSA-N 436.596 5.185 30 10 IKEE O=C1/C(=C/c2ccccc2Cl)SC(=Nc2ccncc2Cl)N1c1ccccc1 1772737129 NLUDXGBSDCJRMY-OSZNWEDFSA-N 426.328 6.197 30 10 IKEE C=CCNc1nc(-c2ccnc(NCc3cccc(C(F)(F)F)c3)c2)cc2cnccc12 1857816860 MZGOJNPRBSVQPE-UHFFFAOYSA-N 435.453 5.921 30 10 IKEE Cc1ccc2oc(=O)c(C(=O)Nc3oc(-c4ccccc4)c(-c4ccccc4)c3C#N)cc2c1 1859744014 QDBLUBYJXBVWPI-UHFFFAOYSA-N 446.462 6.152 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)[C@H](C)Oc1ccccc1C(C)C 1861653079 LACOXDNZWHBRGY-LADGPHEKSA-N 446.676 6.119 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccccc2)cc1 1862387098 CXABHHXNRUJKKI-AREMUKBSSA-N 439.555 5.850 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@@H]2c2ccccc2C)cc1OCCC 1862426480 VSZOJBCNBFPDSO-HSZRJFAPSA-N 437.536 5.171 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1cccc(OC)c1 1862458765 VHXSOBQUDLBAQS-OAQYLSRUSA-N 447.453 5.271 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccccc2Cl)cc1 1862476327 INWKXVCHHLNIME-HXOBKFHXSA-N 431.919 5.988 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2cccc3ccccc23)cc1 1862481166 YFPLKDHLOJZRLH-OXTYCOSGSA-N 439.555 6.305 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OCc2ccc(C)cc2)cc1 1862486054 SOSRHXOOVYFYDX-RUZDIDTESA-N 441.527 5.481 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1Br 1862487817 KCFFKMXEJQWPGW-IFXJQAMLSA-N 428.326 5.134 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCC2)c1 1862495043 JROXVNABWVHBQC-XMMPIXPASA-N 433.548 5.613 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2CC(C)C)cc1 1862539550 YJLSLRMVKZZVSI-DEOSSOPVSA-N 435.564 5.662 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cccc(Cl)c1)c1ccc2c(c1)CCCC2 1862548318 PCKOJNRSPBDTRQ-HSZRJFAPSA-N 435.951 5.740 30 10 IKEE CN(C)c1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862598399 UUGYRYSHQYUUBB-XMMPIXPASA-N 448.563 5.149 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(C(C)(C)C)cc2)=C(O)C(=O)N1CCCCCO 1862612841 BBZYNPFFGXZXFQ-QHCPKHFHSA-N 435.564 5.033 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(C)cc1 1862613258 GMRPVBWMWOYHBS-HSZRJFAPSA-N 435.564 5.297 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C2CC2)c1 1862655473 JEXKHQMDLMINAA-XMMPIXPASA-N 427.500 5.369 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2F)cc1 1862663628 VHRQNTVRLDNVJR-JOCHJYFZSA-N 435.520 5.789 30 10 IKEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2)cc1 1862673624 FTKARQFLUHEDCP-WAIKUNEKSA-N 431.463 5.174 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(Cl)cc3)C2=O)c1 1863180005 PTUKZLIEDWKQMW-UHFFFAOYSA-N 441.918 5.221 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(CC)cc2)=C(c2ccc(OC)cc2)C1=O 1863325750 LNTBTCSOAALPCY-UHFFFAOYSA-N 434.580 5.810 30 10 IKEE CCOc1cc(NC(=O)c2ccccc2CC#N)c(OCC)cc1NC(=O)c1ccccc1 1866214739 FWQVDKCBLHBDFQ-UHFFFAOYSA-N 443.503 5.055 30 10 IKEE C/C(=C\c1cccc(Cl)c1)C(=O)N[C@@H](C(=O)Nc1ccc(C#N)cc1)c1ccccc1 1866819376 KJBBDQQKCCUGDH-AKXFXYSNSA-N 429.907 5.111 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC(Cc3ccccc3)CC2)nc(-c2ccc(C)cc2)n1 1867963151 KIVJHDIJROWTOQ-UHFFFAOYSA-N 438.619 6.090 30 10 IKEE Cc1cccc(N(Cc2cccnc2)c2cc(Nc3ccccc3C#N)nc(C(C)(C)C)n2)c1 1868350002 BHIMOEFQHMMZIR-UHFFFAOYSA-N 448.574 6.431 30 10 IKEE CCCCOCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSC(C)(C)C 1870233127 BUMJEHGNLACVGE-UHFFFAOYSA-N 442.625 5.537 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2F)c(CN2C[C@@H](C)C[C@H](C)C2)cc1=O 1870416984 XXDIZMHYTNFFHE-VXKWHMMOSA-N 442.619 5.863 30 10 IKEE CCCCCCCCn1cc(OCCCCCCC)c(=O)cc1CNc1ccc(F)cc1 1870835841 ABJHIFAZXPCTOO-UHFFFAOYSA-N 444.635 7.309 30 10 IKEE CCCCCCCCn1cc(OCC(C)C)c(=O)cc1CNc1ccc(C(C)(C)C)cc1 1870857876 KJLXPFNUIMDUFU-UHFFFAOYSA-N 440.672 7.153 30 10 IKEE C=CCn1cc(OCc2c(Cl)cccc2Cl)c(=O)cc1CNc1cccc(Cl)c1 1871049721 OMUQQRPNCYFPHU-UHFFFAOYSA-N 449.765 6.186 30 10 IKEE C=CCn1cc(OCCCOc2ccccc2)c(=O)cc1CNc1ccccc1C(C)C 1871085084 GVRBLXGFDWXMRF-UHFFFAOYSA-N 432.564 5.618 30 10 IKEE C=CCn1cc(OCCCOc2cccc(C)c2)c(=O)cc1CNc1cccc(C)c1C 1871219209 AIIPPJLSDQRLDO-UHFFFAOYSA-N 432.564 5.420 30 10 IKEE C=CCn1cc(OCCCCOc2ccccc2)c(=O)cc1CNc1cc(C)ccc1C 1871226307 YBFHLPBMEDLQJJ-UHFFFAOYSA-N 432.564 5.501 30 10 IKEE CCCCC[C@H](CC)N1COc2ccc3c(c2C1)O/C(=C\c1ccc(C(C)C)cc1)C3=O 1871347519 DWBIRXURXWTEKC-PPEIKGMUSA-N 433.592 6.937 30 10 IKEE CCn1cc(/C=C2\Oc3c(cc4c(c3C)OCN(CCOC(C)C)C4)C2=O)c2ccccc21 1871351728 TTYUWCBPVGYPBB-CFRMEGHHSA-N 446.547 5.163 30 10 IKEE C=CCOc1cccc(C(=O)Nc2ccc3c(=O)cc(-c4ccccc4OC)oc3c2)c1 1871358809 SRSDOSBFIXZEMW-UHFFFAOYSA-N 427.456 5.286 30 10 IKEE O=C1/C(=C/c2cccc(Cl)c2)Oc2cc(OC(=O)c3ccc(F)c(F)c3F)ccc21 1871369924 AKOULHUSDBXLGS-NVMNQCDNSA-N 430.765 5.593 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc(C)c2C1=O 1871370746 CLTCJKUDTPIFAO-XKZIYDEJSA-N 445.427 5.137 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1 1871381727 DOLQOZNRYMKCCJ-QRVIBDJDSA-N 428.440 5.064 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc3C2=O)cc1 1871384070 XBWAKLVARWSZKO-QFEZKATASA-N 444.483 5.565 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)cc1 1871386573 CDXSVEJKVOAQQC-XYGWBWBKSA-N 442.511 6.218 30 10 IKEE Cc1ccc(OCCOc2cc(C)c3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)cc1 1871404785 GFRFQQXRLJUEFG-XYGWBWBKSA-N 429.516 5.443 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccc(F)cc2)C3=O)c1 1871412109 OXXZWVLILGCERU-SMNNTEATSA-N 445.490 5.773 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCCCOc3ccc(CC)cc3)ccc2C1=O 1871412776 DDWIGFRRNZBHOH-IMRQLAEWSA-N 444.527 6.112 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1C)C2=O 1871424509 LUGYPZYCEPRGLA-OYKKKHCWSA-N 427.500 5.500 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1cc(C)c2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 1871429164 KNYWYHKYWSLADQ-RBTUMUFMSA-N 448.559 6.448 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(O[C@@H](C)C(=O)Nc4c(C)cccc4C)c3C)C2=O)cc1 1871431875 ZZHDSLOUAVYTRL-ORQKMDSUSA-N 441.527 5.942 30 10 IKEE CCCOC(=O)[C@H](CC)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O 1871435161 YFLWDYQSLCUGKJ-VNAJSCGASA-N 435.303 5.720 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccco2)C3=O)cc1 1871450624 KUAUZVKJGYCDFN-YOBACFSGSA-N 431.488 5.735 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1cccs1 1871800346 WOQRDMYXPUYGDU-GOSISDBHSA-N 441.018 5.084 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1ccccc1 1871820603 OYBVDTCJFFGDQK-XMMPIXPASA-N 442.625 5.403 30 10 IKEE C=CCN([C@H](CCC)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1871875291 HFADZZBBSFQJDZ-OAQYLSRUSA-N 449.016 5.249 30 10 IKEE CCc1ccc(-c2csc([C@@H](C#N)C(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1 1872761561 QEIHACDACSUAHG-NRFANRHFSA-N 445.588 5.276 30 10 IKEE COc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3cccs3)cs2)c(C(C)(C)C)c1 1872774533 ULEOUBZHJMHENV-HNNXBMFYSA-N 426.563 5.433 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-n4cccc4)cc3)n2)cc1Cl 1872789296 DMBAEHSSVBSOAU-GOSISDBHSA-N 433.920 5.753 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(C)cc2Br)=C(c2c(C)cc(C)cc2C)C1=O 1873330715 PWDDAQGEVNYDPF-UHFFFAOYSA-N 439.353 5.061 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)Nc1cccc(Cl)c1)n2C 1873629305 VUDQSMXJZDFJHO-UHFFFAOYSA-N 442.007 6.427 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)c(Cl)c2)cc2c(NCc3ccc(O)cc3)ncnc21 1873641070 ABEHVGCDIBREAK-UHFFFAOYSA-N 447.926 5.149 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(Cl)c2)cc2c(N3CCc4ccccc4C3)ncnc21 1873674461 TZNNIZKHGIXJBF-UHFFFAOYSA-N 443.938 5.086 30 10 IKEE CCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc(OC)cc1OC 1874231986 LETLWATUMMYTBI-YZSQISJMSA-N 446.576 5.228 30 10 IKEE CCCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc(OCC)cc1 1874284609 OXMZBOPFJQBDBQ-LFVJCYFKSA-N 428.989 5.500 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3ccccc3F)nnc2-c2ccccc2Cl)cc1 1874365829 XCALFEFMJAWFOR-VULFUBBASA-N 436.943 6.221 30 10 IKEE Oc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCc2ccccc2Cl)cc1 1874413071 AKDFIPGRGXSRMV-YDZHTSKRSA-N 440.981 5.464 30 10 IKEE Clc1ccc(CSc2nnc(Cc3cccs3)n2/N=C/c2ccco2)cc1Cl 1874414472 UOGSOSOZUGZTLS-SSDVNMTOSA-N 449.388 6.005 30 10 IKEE CCSc1nnc(-c2ccco2)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874465259 ZSAYPGKHSCDSBO-ZVHZXABRSA-N 438.940 5.765 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccccc1F 1874485882 QWHAQDSFGHDAOL-BHGWPJFGSA-N 437.371 6.196 30 10 IKEE Oc1ccc(Cl)cc1/C=N/n1c(SCc2ccc(Cl)cc2)nnc1C1CCC1 1874496772 DFGRYBGNCCAUFW-FOKLQQMPSA-N 433.364 5.733 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2Cl)nnc1C1CCC1 1874497428 JTNPSDDYABMBIY-WYMPLXKRSA-N 447.391 6.036 30 10 IKEE CCc1ccc(/C=N/n2c(COC)nnc2SCc2ccc(Cl)cc2Cl)cc1 1874506273 VOYCCCQEVFIPCP-FOKLQQMPSA-N 435.380 5.468 30 10 IKEE O=[N+]([O-])c1cc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CC2)ccc1Cl 1874520854 YTQAPJSQQPMXKW-LSHDLFTRSA-N 448.335 5.545 30 10 IKEE CCN(Cc1ccccc1)c1ccc(/C=N/n2cnnc2SCc2ccc(F)cc2)cc1 1874536074 KYYDNKPQIXXOIY-LQKURTRISA-N 445.567 5.618 30 10 IKEE CCCCCOc1ccccc1/C=N/n1c(S)nnc1Cc1cccc2ccccc12 1874565501 DPLZOMRILOFHMB-NLRVBDNBSA-N 430.577 5.762 30 10 IKEE CCCOC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccc2c(c1)CCCC2 1874572014 RPTCSYALKQMOJJ-CCEZHUSRSA-N 428.528 5.947 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl)c1ccc([N+](=O)[O-])cc1 1874575347 IHMVUUOMSICMJP-UXBLZVDNSA-N 446.261 6.516 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(Cl)cc2)c1OCC(=O)Nc1cc(C)cc(C)c1 1874578487 QFJDRRSWKMTXNG-FMIVXFBMSA-N 449.934 5.879 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2F)c(C)c1 1874578826 IYJXQHLQAJYINB-DHZHZOJOSA-N 437.898 6.010 30 10 IKEE CCc1ccccc1NC(=O)COc1ccccc1/C=C/C(=O)c1ccc(C(C)C)cc1 1874583231 CSMYOIMACQZDRJ-ISLYRVAYSA-N 427.544 6.286 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)c1ccc(F)cc1 1874583967 PBRPJJVRPWRSAI-RUDMXATFSA-N 435.709 7.261 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1OCc1ccc(F)cc1 1874594943 LSYOCOBITMPKPS-YRNVUSSQSA-N 441.296 6.072 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc1OCc1cccc(C)c1 1874600795 DITUJTJIJXZWFR-SDNWHVSQSA-N 438.523 6.641 30 10 IKEE C[C@@H](NC(=O)COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1)c1ccccc1 1874603986 PASLJNZLZHWKPR-DILWRCETSA-N 439.555 5.718 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2F)c(Cl)c1)c1cccc(Br)c1 1874609621 BAZDLZWTCLMXGT-CSKARUKUSA-N 445.715 6.717 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(OC)c(OCCc2ccccc2)c(OC)c1 1874620385 XOBQDRVBTCEPNS-VAWYXSNFSA-N 432.516 5.538 30 10 IKEE CCCOc1c(Br)cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1OC 1874626812 XZYICIIEMPFKDF-VQHVLOKHSA-N 433.342 5.768 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc(OC)c1OCCCO 1874633422 BGKSJCUTDGEKBB-CMDGGOBGSA-N 430.928 5.051 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OCC(=O)Nc1ccccc1 1874635639 UYRHZFMAFDJMJF-ACCUITESSA-N 443.543 5.924 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1OC(=O)c1cc(C)cc(C)c1 1874705898 FZBYPKPALAMUHR-NTUHNPAUSA-N 442.555 6.725 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(-n4cccc4)cc3)cc2)cc1C 1875107269 ICHJNYSNEQVXOW-VIZOYTHASA-N 437.495 5.910 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3Cl)cc2Cl)cc1 1875113719 UZXFSRBNNUAAFN-XYOKQWHBSA-N 441.310 6.046 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)[C@H]2C[C@H]2c2ccccc2Cl)cc1 1875117707 IPLVHMKDNYWGLK-IDPYQAHBSA-N 432.903 5.954 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1[N+](=O)[O-] 1875127216 SVGHQOZJPQZEHF-JXMROGBWSA-N 437.835 5.372 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc([N+](=O)[O-])c1OC(=O)c1cccc(OC)c1 1875127230 UHRDXXREVAACIC-OUKQBFOZSA-N 447.443 5.117 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2OCC)cc1 1875128823 WKMBGIVFJAINAN-MHWRWJLKSA-N 446.499 5.365 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)c1cc(C)cc(C)c1 1875132238 MIHWYJGFEUFKIB-JXMROGBWSA-N 434.919 6.389 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccco1 1875132523 GSEKSJOENPJALB-WEVVVXLNSA-N 431.271 6.100 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)c1ccccc1 1875142127 MFRKOGHPFKNJQB-FMIVXFBMSA-N 438.882 6.302 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)C(C)C)c([N+](=O)[O-])c2)cc1C(C)C 1875162860 OLOQRBLLPMTORV-VQHVLOKHSA-N 425.481 5.493 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)ccc1OC(=O)CC(C)(C)C 1875164733 YBWDRGUQFVATEX-MHWRWJLKSA-N 444.527 6.725 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)cc2OC)c1 1875170147 JQKQSUPUGHOESF-ZRDIBKRKSA-N 444.527 6.053 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H]3C[C@H]3c3ccccc3Cl)cc2)cc1C 1875175718 CJAMNRQGWXQYPP-AWJFGYGFSA-N 430.931 6.562 30 10 IKEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccccc2)nc2ccc(Br)cc12 1890641951 AMOMNAIMNZCNPL-KDURUIRLSA-N 433.349 5.988 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(-c4cccs4)cc3)cc21 1891427735 MUFMVTDPDXSLBY-UHFFFAOYSA-N 432.545 5.605 30 10 IKEE CCN(Cc1ccccc1)c1ccc(C=NN(Cc2ccccc2)Cc2ccccc2)cc1 1923540716 UVCDPHAUBUIDBJ-UHFFFAOYSA-N 433.599 6.749 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)CC1(C)C 1949597312 VCYUXQOJZBIDIE-HSZRJFAPSA-N 433.524 5.249 30 10 IKEE Cc1ccc(NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)c(C#N)c1 1959289586 JBZOVJHRXFOBNV-UHFFFAOYSA-N 427.504 5.139 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@](C)(C#N)C(C)(C)NC(=O)OC(C)(C)C 2020525224 YUXGJNCOTROCKF-HSZRJFAPSA-N 433.549 5.022 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2cccc(NC(=O)OC(C)(C)C)c2)cc1 2031660566 OJWMNKVNCTZXSH-NRFANRHFSA-N 437.540 6.348 30 10 IKEE C#CCN(C[C@@H](NCCC)c1ccc(Br)c(Cl)c1)C(=O)OC(C)(C)C 2041579890 WVTFNSMZEKDXSN-QGZVFWFLSA-N 429.786 5.014 30 10 IKEE C=C(COCc1ccccc1)[C@H](NC)C12C[C@H]3C[C@@H](CC(NC(=O)OC(C)(C)C)(C3)C1)C2 2066111620 SCTZUDADDACJPY-JPRDUULMSA-N 440.628 5.211 30 10 IKEE CN[C@@H](CC#C[Si](C)(C)C)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2067290004 SPFRDHBLIQGMAV-KRWDZBQOSA-N 425.443 5.328 30 10 IKEE Fc1ccc(Cn2nc(C3CCC3)c(C(F)(F)F)c2Br)cc1C(F)(F)F 2079823350 ZZOFPUCEJJYRCY-UHFFFAOYSA-N 445.176 6.138 30 10 IKEE COc1ccc([C@H](n2nc(C3CCC3)c(C=NO)c2Br)C(C)(C)C)c(O)c1 2080042506 HWOYOUFPVMDBOW-SFHVURJKSA-N 436.350 5.071 30 10 IKEE CCCOc1ccc([C@@H](n2nc(C(C)(C)C)c(C=NO)c2Br)C2(C)CC2)cc1 2080078028 NEZHRKHUTMSOBR-LJQANCHMSA-N 448.405 5.930 30 10 IKEE N#Cc1c(C2CCCCC2)nn(Cc2cc(F)cc(Br)c2)c1Br 2080303520 GOKHXDAVFYNIHY-UHFFFAOYSA-N 441.142 5.515 30 10 IKEE Oc1cc(-c2cccc(C(F)(F)F)c2F)nc2c(Br)c(C(F)(F)F)nn12 2080892374 XHKKFKLYCFNQNG-UHFFFAOYSA-N 444.104 5.041 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)c(C)c(Br)c1)NC 2111264377 MKWYTGUBXPIRCK-MSOLQXFVSA-N 445.829 5.401 30 10 IKEE CN[C@@H](CC#CC1CCCCC1)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2149857585 KAZGOKVQXFGWNA-IBGZPJMESA-N 435.406 6.030 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](Nc2ccc(Br)cc2C#N)Cc2ccccc21 2162387994 SYEPKTSICGKEMP-QGZVFWFLSA-N 428.330 5.099 30 10 IKEE CC(C)N(C[C@H]1CCCCN1C(=O)OC(C)(C)C)c1cc(Br)cc(C#N)c1 2174809579 BJBFQTBTAGETTM-GOSISDBHSA-N 436.394 5.325 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](Cc2cccc(Br)c2C)NCC)C1 2183011918 UPXHXVJXUKDTBD-LJQANCHMSA-N 437.422 5.139 30 10 IKEE C[C@@H]1Cc2ccccc2[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2185484347 FTBWVKCLBBEBOO-IVZQSRNASA-N 427.342 5.802 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)CCC12CC2 2214702625 SAFMAXMEZSJGBQ-DEOSSOPVSA-N 433.593 5.382 30 10 IKEE CCCCCCCC(=O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229118140 IXSZWXZFUWFBBR-GOSISDBHSA-N 426.395 5.815 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc(CC[C@@H](O)C#Cc2ccccc2Br)c1 2235740425 OMFRSJYPZYEIIR-LJQANCHMSA-N 430.342 5.141 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)CC[C@@H](C)CNC(=O)OC(C)(C)C 2235747875 UHHJPPUEXRKHRZ-MJGOQNOKSA-N 437.422 5.110 30 10 IKEE CCCCC#CC[C@H](NC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237398451 MCMQKCNGEGBIHM-PMACEKPBSA-N 437.422 5.057 30 10 IKEE COc1cccc(C#CC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2Br)c1 2237855215 YBBUMBWNOHXJQZ-UHFFFAOYSA-N 430.298 5.039 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CC[C@H](C1)[C@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2258110693 XMKUDBJFNMXOES-ARJLHZIISA-N 441.572 5.404 30 10 IKEE CCCN[C@@H](CC#CC1CCCC1)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2261127893 GHBPBTWMLHJWCN-LOSJGSFVSA-N 442.644 5.439 30 10 IKEE CC#CC[C@@H](OCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2261849839 WNFRGAJFNPXUAD-XMMPIXPASA-N 430.500 5.400 30 10 IKEE CN(C(=O)OC(C)(C)C)C1(C[C@@H](O)C#Cc2ccc(Br)cc2)CCCCC1 2296275751 AGMMMIFFQKBFKV-IBGZPJMESA-N 436.390 5.121 30 10 IKEE COc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cn(C)c4ccccc24)C3=O)c1 2296871747 ATICBBYZAXWNOL-UHFFFAOYSA-N 439.467 5.331 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)cc1 2299174621 SLIVHNVJPJGZQL-MOPGFXCFSA-N 429.561 5.274 30 10 IKEE CN(CCCSc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2301422509 IGDLHLSBYATLDD-UHFFFAOYSA-N 434.411 5.075 30 10 IKEE COc1ccc(-c2ccc(C=C3SC(=Nc4ccc(C)c(C)c4)NC3=O)o2)c([N+](=O)[O-])c1 2313670532 CXXWTMGQLBTFBX-UHFFFAOYSA-N 449.488 5.372 30 10 IKEE O=C1NC(=Nc2ccc(F)cc2)C(=Cc2ccc(-c3c(Cl)cccc3Cl)o2)S1 2314482867 YCUSFJSIZISRCF-UHFFFAOYSA-N 433.291 6.920 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(-c3ccccc3Cl)o2)SC1=Nc1cccc(C)n1 2314540333 OAVUMUWJTRZABC-UHFFFAOYSA-N 435.936 6.093 30 10 IKEE Cc1ccc(COc2ccccc2C=C2SC(=Nc3cc(C)ccc3O)NC2=O)cc1 2314557052 KOUNXSHEKTXFIC-UHFFFAOYSA-N 430.529 5.480 30 10 IKEE CCCc1nnc(SCc2ccccc2)n1N=Cc1cc(Cl)c(O)c(Cl)c1O 2318574254 IPHHRLPTCRLBLA-UHFFFAOYSA-N 437.352 5.123 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CC2)cc1OC 2320880696 XRJXKKNDEINCOP-UHFFFAOYSA-N 442.972 5.391 30 10 IKEE Cc1ccc(COc2ccc(C=Nn3cnnc3SCc3ccc(F)cc3)cc2)cc1 2321240876 LWKAAHRGCHSHIN-UHFFFAOYSA-N 432.524 5.479 30 10 IKEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2321343501 DSJJMEVVDVQZIT-OBWXTZQISA-N 447.551 5.495 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OCc4ccc(Cl)cc4Cl)c3C)C2=O)cc1 2321787278 DCMJHAHNBAESQG-UHFFFAOYSA-N 439.338 7.059 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc3c2CN(Cc2ccccc2Cl)CO3)C1=O 2321958331 RVSSYCUSJCERMQ-UHFFFAOYSA-N 447.918 5.707 30 10 IKEE Cc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(Cc1ccccc1Cl)C3 2321958570 VSRTUHUCWLUPLZ-UHFFFAOYSA-N 431.919 5.925 30 10 IKEE O=C(C=Cc1cc(Br)ccc1OCCc1ccccc1)c1ccccc1Cl 2322433374 JZIGAQOJDJIMCH-UHFFFAOYSA-N 441.752 6.620 30 10 IKEE C=CCOc1ccc2ccccc2c1C=CC(=O)c1ccc(OCCC)c(OCCC)c1 2322502685 IIDAEVBVEGULFH-UHFFFAOYSA-N 430.544 6.878 30 10 IKEE O=C(C=Cc1cc(Br)ccc1OCCCO)c1ccc(Cl)c(Cl)c1 2322580832 UNQPOCCOMLWMRW-UHFFFAOYSA-N 430.125 5.413 30 10 IKEE Cc1c(OC(=O)c2ccccc2Cl)ccc2c1OC(=Cc1cccc(Cl)c1)C2=O 2322725028 QQZGZYMKRVMDJX-UHFFFAOYSA-N 425.267 6.137 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cc(Cl)cc(OC)c2OCCCO)cc1C(C)C 2322799107 NFCQPSUILWTFLC-UHFFFAOYSA-N 432.944 5.446 30 10 IKEE O=C(COc1cccc(C=CC(=O)c2ccc3c(c2)CCCC3)c1)NCc1ccccc1 2323054983 XLIMINDQVLMSIF-UHFFFAOYSA-N 425.528 5.157 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OCc3ccc(C)cc3)c2)c(OCC)c1 2323283878 FDFGKOFYHISZOS-UHFFFAOYSA-N 446.543 6.276 30 10 IKEE CCOc1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(C)c2)C3=O)cc1 2323512019 RNZUNRXCHBYPEN-UHFFFAOYSA-N 440.495 5.937 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(F)cc1 2323777794 VMXTUBNGDQYOIX-UHFFFAOYSA-N 439.870 5.401 30 10 IKEE C[C@@H]1CCCN(Cc2c(O)ccc3c2OC(=Cc2ccc(Br)cc2)C3=O)C1 2324066447 MCXLAWNVTPQCLI-CQSZACIVSA-N 428.326 5.003 30 10 IKEE CCCCOC(=O)COc1ccc2c(c1C)OC(=Cc1cn(CC)c3ccccc13)C2=O 2324293584 DOMYQJFSRAOXAQ-UHFFFAOYSA-N 433.504 5.308 30 10 IKEE Cc1c(O[C@@H](C)C(=O)Nc2ccc(F)cc2)ccc2c1OC(=Cc1ccc(F)cc1)C2=O 2324319841 LUYZYZHDBOQODY-HNNXBMFYSA-N 435.426 5.295 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=CC=Cc2ccccc2)C3=O)cc1 2324380838 YSNOEQGRDIIMPQ-HXUWFJFHSA-N 439.511 5.882 30 10 IKEE COc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1C)OC(=Cc1ccccc1F)C2=O 2324473885 WPLFJLZREUETIN-INIZCTEOSA-N 447.462 5.165 30 10 IKEE Cc1ccc(OCCCCOc2ccc3c(c2C)OC(=Cc2ccccc2F)C3=O)cc1 2324588874 OCSKKWXYEAQDNJ-UHFFFAOYSA-N 432.491 6.297 30 10 IKEE Cc1ccccc1OCCCCOc1ccc2c(c1)OC(=Cc1cccc(Cl)c1)C2=O 2324598546 DAGURKPKTHMROF-UHFFFAOYSA-N 434.919 6.503 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)OC(=Cc1cccs1)C2=O 2325142014 PPNAWHYVEIJQOK-KRWDZBQOSA-N 433.529 5.696 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccc(F)cc1)C2=O 2325142046 WMVZRWZPHTXENE-SFHVURJKSA-N 445.490 5.773 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1c(Cl)cccc1Cl)C2=O)NC1CCCCC1 2325322667 KDSCCDVEGAWAAS-UHFFFAOYSA-N 446.330 5.437 30 10 IKEE Cc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2cc(C)ccc2C)cc1 2325489365 QRLNNHFZFZIVBK-UHFFFAOYSA-N 426.589 5.969 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cccc(OC(=O)[C@H]3C[C@H]3c3ccccc3Cl)c2)c1 2325740984 QLMASDQCGKDLLH-ZEQRLZLVSA-N 430.931 6.562 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OC(=O)COc2ccc(C)cc2C)c1 2325743296 DUDCTGCOSALVRV-UHFFFAOYSA-N 430.500 5.501 30 10 IKEE CCCCC1CCC(C(=O)Oc2cccc(C=CC(=O)c3cccc4ccccc34)c2)CC1 2325749973 DSKNCXZZTFCUKA-UHFFFAOYSA-N 440.583 7.638 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1OC(=O)C12CC3CC(CC(C3)C1)C2 2325751057 YYENFTVSCXIWHN-UHFFFAOYSA-N 434.507 5.852 30 10 IKEE CCCSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1ccc(F)cc1 2325913770 VYSYYIBCCZBIPJ-UHFFFAOYSA-N 439.343 5.687 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1N=Cc1cccc(OCC(C)C)c1 2326272507 DNIZMICOBIULCA-UHFFFAOYSA-N 426.561 5.579 30 10 IKEE CCCCCCCOc1ccccc1C=Nn1c(C)nnc1SCc1cccc(C)c1 2326377371 VGBPPZYIXRIHKD-UHFFFAOYSA-N 436.625 6.419 30 10 IKEE CCOc1cccc(C=Nn2c(C)nnc2SCc2c(Cl)cccc2Cl)c1O 2326513750 SQZOLFFOEFRNEH-UHFFFAOYSA-N 437.352 5.172 30 10 IKEE CCCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc(OC)cc1 2326606446 SQVLWQXFXNMHDV-UHFFFAOYSA-N 430.577 5.609 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2Cl)n1N=Cc1cccc2ccccc12 2327956761 SNWRAZOADPFNDP-UHFFFAOYSA-N 447.007 6.420 30 10 IKEE Cc1ccsc1C=Nn1c(CCOc2ccccc2)nnc1SCCc1ccccc1 2329200313 KIKJUJXKJBXCIK-UHFFFAOYSA-N 448.617 5.487 30 10 IKEE C=C(C)CSc1nnc(COCc2ccccc2)n1N=Cc1ccc(Cl)c(Cl)c1 2329339657 TWEZPMKTPOGATJ-UHFFFAOYSA-N 447.391 5.852 30 10 IKEE C=CCSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1c(OC)ccc2ccccc12 2329436547 ZKWLUUOKIGIKBO-UHFFFAOYSA-N 442.588 5.808 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2C)n1N=Cc1cccn1C 2329473252 VGZFOSWBEQVIJK-UHFFFAOYSA-N 429.593 5.193 30 10 IKEE Cc1ccc(C(=CC(=O)N[C@@H](C(=O)Nc2cccc(C#N)c2)c2ccccc2)C2CC2)cc1C 2329603114 ZDBQQDXRSPYAKL-MUUNZHRXSA-N 449.554 5.465 30 10 IKEE Oc1cccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2F)c1 2329839919 CLBLUFGFJPYYJW-UHFFFAOYSA-N 436.487 5.027 30 10 IKEE COc1ccccc1C=Nn1c(SCc2ccccc2C)nnc1[C@@H](C)c1ccccc1 2330057617 RNPHXPMALREQCD-FQEVSTJZSA-N 442.588 5.921 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccccc3)n2N=Cc2c(F)cccc2Cl)c1 2330645872 KYDUIWJQIMAPED-UHFFFAOYSA-N 436.943 6.221 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)ccc1OC(=O)c1ccc(C)c(C)c1 2330765293 VGUJGBINMGAORZ-UHFFFAOYSA-N 428.528 6.380 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(OC)c2)cc(OC)c1OC(=O)c1ccccc1 2330798507 GDRPDSFWIXHIJD-UHFFFAOYSA-N 428.484 5.548 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(OC)c([N+](=O)[O-])c3)cc2)cc1C 2330855562 BFDVJNHAQOTFKR-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2[C@H]2CCCO2)cc1 2330887385 YCACHHSHTCVKTK-HSZRJFAPSA-N 449.624 5.459 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccccc3Cl)cc2)cc1OC 2330910294 IVYBPANQILQVJK-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2)c(OC)c1 2331215805 AKNXKQNOHRKWMZ-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE COc1cccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2-c2ccco2)c1O 2331225399 PLUPCVJYRDGODO-UHFFFAOYSA-N 440.912 5.080 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1N=Cc1ccccc1C 2331326556 IHJWQMDDIRREFB-UHFFFAOYSA-N 435.597 5.159 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2OC)c1 2331331052 RBZLBPPTHVHIQS-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE CCOc1ccc(C=Nn2c(CC(C)C)nnc2SCc2cccc(C)c2)cc1OC 2331440041 UFZZXGHOXRGLPL-UHFFFAOYSA-N 438.597 5.367 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3cccc(C)c3)cc2)cc1F 2331452060 BWKSGGHBSHNMIB-UHFFFAOYSA-N 448.490 5.803 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)c1ccc(C)cc1 2331569360 MDUJTNKRXGDKBU-UHFFFAOYSA-N 448.465 6.126 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)c2cccnc2)c(Cl)c1 2331792663 CGDCRLKOHZTPFL-UHFFFAOYSA-N 433.935 6.456 30 10 IKEE C#C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@H]3CC[C@]21C 2333301294 AIIXYCDTEGICEE-ZFFHRFIVSA-N 439.603 5.204 30 10 IKEE Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N1CC[C@](C)(B2OC(C)(C)C(C)(C)O2)C1 2342562939 GIEVRBRGDXSNRL-DEOSSOPVSA-N 444.381 5.040 30 10 IKEE Cc1cc(OCc2ccccc2)ccc1Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2365107068 RYICHOUINXMFIQ-FOCLMDBBSA-N 442.368 6.357 30 10 IKEE C=C(C)CN1C(=O)[C@H](C)Oc2cc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)ccc21 12081283 FUXJQNITBDLZJQ-KGLIPLIRSA-N 449.334 5.089 30 10 IKEE Cc1cc(C)cc(NS(=O)(=O)c2ccc(/N=C/c3c(O)ccc4ccccc34)cc2)c1 12484315 SXBISSSVINEKLY-WGOQTCKBSA-N 430.529 5.714 30 10 IKEE COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)c1O 21241057 ACCLRLGSCRSXBQ-IVCQMTBJSA-N 446.934 6.034 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1cccc(OCC)c1 40079451 RKANTZVDHJIKJM-HSZRJFAPSA-N 437.536 5.251 30 10 IKEE C=CCc1ccccc1OCCCn1c([C@H](C)NC(=O)c2cccnc2)nc2ccccc21 40180745 SXLBCWZOEGFMRH-FQEVSTJZSA-N 440.547 5.120 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/C=C/c3ccccc3)n2)cc1 59016248 OFVPVLZWFHBXQU-ULBNOVAUSA-N 434.569 5.160 30 10 IKEE CCc1cccc(C)c1-n1c(C)cc(/C=N/NS(=O)(=O)c2ccc3ccccc3c2)c1C 59105242 APRXDNBKKOSTAH-WPWMEQJKSA-N 445.588 5.431 30 10 IKEE CC(C)(C)c1csc(NC(=O)c2csc(Nc3ccc4c(c3)OCO4)n2)c1C#N 96756689 HKWRPXKFYODTNZ-UHFFFAOYSA-N 426.523 5.098 30 10 IKEE O=C1/C(=C/c2c(F)cccc2Cl)S/C(=N/c2cccnc2Cl)N1c1ccccc1 101126899 RCFGZKYBYBXAJH-JREPMBSFSA-N 444.318 6.336 30 10 IKEE CCCCCCCCCn1c([C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)nc2ccccc21 102214087 BUMAOMBNLATPJK-JOCHJYFZSA-N 435.587 6.442 30 10 IKEE CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)O 169622507 UWKNPULCJWBBDD-JRUKXMRZSA-N 429.645 6.836 30 10 IKEE in-vitro CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@@H]2c2ccc(O)cc2)cc1 169959267 PWYFBQCGBPORJS-XMMPIXPASA-N 427.500 5.300 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccncc2)cc1 170019969 LGDDEJPOLVSZNH-HSZRJFAPSA-N 440.455 5.009 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccccc2)cc1 170029139 JNXODEUUMBPDOE-VWLOTQADSA-N 427.500 5.187 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2C2CCCC2)cc1 170034155 WSEUYKYZKQFYEU-RUZDIDTESA-N 433.548 5.315 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@@H]1c1ccccc1)c1cccc(Cl)c1 170050416 VAJHCMOCNPSAFQ-HXUWFJFHSA-N 442.273 5.915 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2ccc(F)cc2)c1 170060541 GVSGUOAEUIWUKA-HSZRJFAPSA-N 447.462 5.016 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccc(F)cc2)cc1C 170060942 YKGAGJWSIYNPBA-JOCHJYFZSA-N 437.417 5.504 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(F)cc2)c1 170061330 HMEZBHFBDVQTQI-DEOSSOPVSA-N 441.458 5.972 30 10 IKEE CCOc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccco2)c1 170097824 GIPRWKICESCOQF-OAQYLSRUSA-N 437.879 5.110 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(N(CC)CC)cc1 170138731 YNIOYDRLLOEVST-OAQYLSRUSA-N 426.944 5.175 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@H]1c1cccs1 170156281 NCUWMDWNWPJYHV-QFIPXVFZSA-N 449.528 5.165 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@H]1c1cccs1 170158729 SSXKSYJCSFUBIK-QFIPXVFZSA-N 447.556 5.773 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1cccs1 170161410 YPMXPIWAKQZQON-NRFANRHFSA-N 433.529 5.465 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cccs1 170163684 IUVFFYHOYWCTLS-IBGZPJMESA-N 431.941 5.321 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2cccnc2)cc1 170185906 VILLXIAWWVPXGF-VWLOTQADSA-N 438.527 5.306 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1ccc(OCC)cc1 170214219 FGWVQABCOQBHLH-QHCPKHFHSA-N 437.536 5.171 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2OC)[C@H]1c1cccc(OCC)c1 170218444 VKYPFFXDDKICIJ-HSZRJFAPSA-N 437.536 5.171 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccccc2)cc1 170225534 VLDKSYPMOBTGHA-DEOSSOPVSA-N 427.500 5.485 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(Cl)cc2)cc1Cl 170237000 SQGLLRHKGROVFL-FQEVSTJZSA-N 446.330 5.523 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 170238627 LLPLOLOCGDINPG-QFIPXVFZSA-N 435.426 5.065 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1ccc(F)cc1 170242629 ZHMUHZTVILNCOL-JOCHJYFZSA-N 439.527 5.046 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2F)cc1C 170249209 XGTBWQMGUYBKHY-XMMPIXPASA-N 445.490 5.706 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(C)c4)[C@H]3c3ccco3)oc12 170283124 LWPVKDIMKMSYNM-NRFANRHFSA-N 429.428 5.126 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccco2)cc1 170285385 AHPQXFXBHHBGAS-XMMPIXPASA-N 439.467 5.614 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC(C)C)c3)[C@@H]2c2ccco2)c1C 170285865 FFKDWZHTTANKSC-DEOSSOPVSA-N 445.515 5.714 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccco2)c(OCC)c1 170287562 DEGUXGPPKXJRHZ-HSZRJFAPSA-N 447.487 5.168 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1sccc1C 170317454 WVMRRWSIFKIXGE-HXUWFJFHSA-N 439.577 5.593 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(C(=O)OCC(C)C)cc2)c1 170460872 KHDQANMYJKXYFT-JOCHJYFZSA-N 449.547 5.323 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 170467900 ZIXLQVXVIRDKEU-HXUWFJFHSA-N 443.946 6.292 30 10 IKEE Cc1cc(C)c2nc(-n3ncc(C#N)c3Nc3cc(-c4ccccc4)ncn3)cc(C)c2c1 170547181 CMJFIFKXCDDYMJ-UHFFFAOYSA-N 431.503 5.418 30 10 IKEE C=CCCCSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 227248887 VPPYLGDCENEQMP-QFIPXVFZSA-N 425.550 5.068 30 10 IKEE CCOC(=O)c1c(N=Cc2ccc(-c3cccc(Cl)c3Cl)o2)sc2c1CCCC2 252628047 SHDDNQZAXJKIKO-UHFFFAOYSA-N 448.371 7.121 30 10 IKEE CCCC[C@@H](CC)OC(=O)CSc1nnc(N/N=C(\C)c2ccc3ccccc3c2)[nH]1 253560181 AMEIGTZLJUMQEQ-UVPCLOGWSA-N 439.585 5.398 30 10 IKEE COc1ccc(C=Nn2c(S)nnc2C(F)F)cc1COc1ccc(C(C)(C)C)cc1 254713637 MOZWPNDAKZVMBF-UHFFFAOYSA-N 446.523 5.272 30 10 IKEE CC(C)Oc1cccc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 526488436 ONOZVBVUDPNZHQ-DEOSSOPVSA-N 444.918 6.056 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccccc2O)c1 526808473 KPBGQUVFGOBDEK-ONUIUJJFSA-N 428.561 5.252 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1cccc(OCC)c1OC 526816664 KODMIRYWGVUKSQ-OYKKKHCWSA-N 444.988 5.466 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(Cc2ccccc2)n1/N=C\c1ccco1 526818114 RBFBQSRKQZCCEG-CFRMEGHHSA-N 426.904 5.429 30 10 IKEE COc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)c1ccc(C)cc1F 586259470 FSSRFVLWBMUGJW-UHFFFAOYSA-N 444.915 5.063 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccc(F)cc1Br 698486848 RYNOPBZGDXQJAC-KRWDZBQOSA-N 435.293 5.603 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H]1C(C)(C)[C@]2(C#N)N(C(=O)OC(C)(C)C)C1CCC1 712275125 KDBRGRCHHPCOSL-QZTZHPFYSA-N 433.593 5.094 30 10 IKEE C[N+](C)=C1C=CC2=C(C3=C4OC(c5ccccc5)=CC(c5ccccc5)=C4CC3)CCC2=C1 1082889435 ZHEDSRQXLXLBNV-UHFFFAOYSA-N 430.571 6.859 30 10 IKEE O=C(O)c1ccc(N=Cc2cccc(OC(=O)c3sc4ccccc4c3Cl)c2)cc1 1084319499 QQGYUCJLFFYXDO-UHFFFAOYSA-N 435.888 6.223 30 10 IKEE COc1cc(/C=C2/SC(=Nc3cccnc3Cl)N(C3CCCCC3)C2=O)ccc1O 1772735782 VMXWSYNTLWYRSG-GNMKNICSSA-N 443.956 5.386 30 10 IKEE CCCCCCCCNC(=O)[C@@H](NC(=O)c1ccccc1Br)c1ccccc1 1861020715 GSPLTAVCYLEYFH-NRFANRHFSA-N 445.401 5.397 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)[C@@H](C)Oc1ccc(C(C)C)cc1 1861677081 JHOGMJYHLCFTCW-RCZVLFRGSA-N 446.676 6.119 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccccc1)c1ccc(Cl)cc1Cl 1862379470 CFSHRPFSFVJCQE-FQEVSTJZSA-N 430.331 5.904 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2ccc(OCC)cc2)cc1 1862393369 UPUCCYSRMLLLAA-KOSHJBKYSA-N 435.564 5.805 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2cccc(C)c2)cc1C 1862400324 BBVYUMDAEGGUPF-DEOSSOPVSA-N 427.500 5.091 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccc(O)cc2)cc1C 1862400398 CZQQUYFALTXIMI-BXKMTCNYSA-N 443.499 5.049 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccccc2C)cc1C 1862400972 QQHNFKMUIVMILN-RUZDIDTESA-N 441.527 5.133 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C34CC5CC(CC(C5)C3)C4)[C@H]2c2ccc(O)cc2)cc1 1862474012 JFAQLRYRGQKIIB-GETQMSEISA-N 443.543 5.248 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C(C)C)c1 1862550361 GUYJHRKMPKHUHN-XMMPIXPASA-N 433.548 5.341 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(N(CC)CC)cc1 1862553234 IGDXPBAZGNZHOM-RUZDIDTESA-N 444.575 5.176 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccc1[N+](=O)[O-] 1862654701 QCLRXZBCKCAVLX-NYHFZMIOSA-N 430.460 5.125 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccccc1Br 1862669609 AHSVSGTZWKBAAL-HXUWFJFHSA-N 440.337 5.337 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccc(C)cc2)cc1 1862686712 CQMBVPRXCYHIEU-DEOSSOPVSA-N 431.532 5.472 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccc(Cl)c2)cc1 1862689805 ZWWNCWPFDCLSAX-HXUWFJFHSA-N 439.920 5.189 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2cccc(O)c2)c1 1862698929 OJSJMOLFMNFVRI-QHCPKHFHSA-N 435.520 5.092 30 10 IKEE COc1ccccc1[C@H]1c2ccccc2CCN1c1cc(Nc2cccc(C#N)c2)nc(C)n1 1868467375 XFBFCGPQCKFJDF-MUUNZHRXSA-N 447.542 5.561 30 10 IKEE COc1ccc([C@H]2c3ccccc3CCN2c2cc(Nc3ccc(C#N)cc3)nc(C)n2)cc1 1868496700 HRGMEMGHXJEOQE-NDEPHWFRSA-N 447.542 5.561 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)C[C@H](c1ccc(Cl)cc1)C(C)C)c1ccccc1 1868701479 DGDVIFRGYOJRBI-ZCYQVOJMSA-N 438.999 5.528 30 10 IKEE CCCCCCCCCCn1cc(OCc2ccc(C)cc2)c(=O)cc1CSCCO 1870218532 MUVPHCSHAZLTCG-UHFFFAOYSA-N 445.669 6.102 30 10 IKEE CCCCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CN1C[C@@H](C)C[C@@H](C)C1 1870611987 IBBKIFITTXWTPO-PLQXJYEYSA-N 444.704 6.812 30 10 IKEE CCN(CC)CCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(C)cc1)C3=O 1871349555 WKUNPZLVRYHINL-JLPGSUDCSA-N 434.580 5.194 30 10 IKEE CCCCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccccc1Br)C3=O 1871352141 RNFPMSVPBBCSNF-BKUYFWCQSA-N 442.353 5.798 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2C1=O 1871371823 LHQPJSVNUZYJMA-IMRQLAEWSA-N 446.502 6.349 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)c3C)C2=O)c1 1871372627 BQKYWVACBLXEMH-NHDPSOOVSA-N 449.846 5.700 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)c1 1871388076 VNOOQDMBIKQOTC-QRVIBDJDSA-N 445.427 5.219 30 10 IKEE O=C(CCc1cccs1)Oc1ccc2c(c1)O/C(=C\c1ccccc1OC(F)F)C2=O 1871392096 PCDNSFMXIHKAEG-NDENLUEZSA-N 442.439 5.504 30 10 IKEE Cc1cc(O[C@H](C)C(=O)Nc2ccccc2Cl)cc2c1C(=O)/C(=C/c1cccs1)O2 1871403891 CJQJQGDNZVGOHM-FAPYRAKZSA-N 439.920 5.732 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCCCOc4ccc(C)cc4)ccc3C2=O)c(OC)c1 1871405937 NLAXFSKGDJMINO-YSMPRRRNSA-N 446.499 5.476 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4cccc(Cl)c4C)ccc3C2=O)o1 1871406653 JFLQVZYOBPZZOG-SRMCNWIXSA-N 437.879 5.572 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(Cl)cc2)[nH]c(N2CCCCC2)n1 1871523216 GTTMBAYFTDQLJS-UHFFFAOYSA-N 445.055 6.233 30 10 IKEE C=CCN([C@H](CCC)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1cc(C)ccc1C 1872299423 XGMCZIXBEVWRSD-OAQYLSRUSA-N 449.016 5.249 30 10 IKEE C[C@H](c1ccccc1)N1C[C@H](C(=O)[C@@H](C#N)c2nc(-c3ccccc3Cl)cs2)CC1=O 1872764239 IFDFNWHYPOGGGP-SZVBFZGTSA-N 449.963 5.249 30 10 IKEE N#C[C@@H](C(=O)CCCCCNC(=O)c1ccccc1)c1nc(-c2ccc(F)cc2)cs1 1872776107 IIYJPQNQQNQQAC-FQEVSTJZSA-N 435.524 5.116 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(F)cc2Cl)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422805 QAASTUTUBUHIJJ-UHFFFAOYSA-N 449.913 5.265 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(Cl)c2C)cc2c(N3C[C@@H](C)C[C@H](C)C3)ncnc21 1873666920 YEAQSSCROXAAAE-HOTGVXAUSA-N 437.975 5.314 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1cccc(O)c1 1874205151 LQJGBSFCSDOAET-SSDVNMTOSA-N 437.352 5.254 30 10 IKEE CCCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc(OC)cc1OC 1874279447 IUVPQQNEMFVSGI-BUVRLJJBSA-N 444.988 5.118 30 10 IKEE CCCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1cn(C)c2ccccc12 1874282655 SNUWDIZIUNMXKY-MFKUBSTISA-N 438.000 5.593 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccncc2)cc1C 1874319831 LXOCPKZJZOWFQI-MZJWZYIUSA-N 447.539 5.183 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CCc3ccccc3C)nnc2SCCC)cc1 1874363503 JAVUWGSQXHDWCB-LGUFXXKBSA-N 436.625 5.935 30 10 IKEE CCc1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SCc2ccccc2F)cc1 1874375933 VTPGXTFDXCYPGH-LQKURTRISA-N 448.542 5.884 30 10 IKEE Cc1ccc(CSc2nnc(Cc3cccs3)n2/N=C/c2cc(C)ccc2O)cc1 1874410764 JXLDOTFTOYYASN-ZVHZXABRSA-N 434.590 5.427 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2ccc(F)cc2F)c1 1874416069 XGOSQMCQKWJVSM-JFLMPSFJSA-N 434.515 5.630 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccccc2)n1/N=C/c1ccc(Cl)cc1 1874416525 URCBDGCQOZMBSA-WGOQTCKBSA-N 432.980 6.005 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2sccc2C)c1 1874481257 QHTPUHZYOWVLFQ-FSJBWODESA-N 441.626 5.175 30 10 IKEE CCOc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2ccccc2C)cc1OC 1874488643 CFLQZMJURYSAMN-MFKUBSTISA-N 438.597 5.367 30 10 IKEE Fc1ccccc1CSc1nnc(C2CCC2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874495572 SNMMJAMSBWUVBU-RPPGKUMJSA-N 434.462 5.878 30 10 IKEE CCCSc1nnc(C2CCC2)n1/N=C/c1ccc(OCc2ccccc2)c(OC)c1 1874496656 XQSQDMRJAYFSOW-PCLIKHOPSA-N 436.581 5.518 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(C3CC3)n2/N=C/c2c(F)cccc2Cl)cc1 1874518758 ICUJGNOVRKOHMD-LSHDLFTRSA-N 431.880 5.031 30 10 IKEE COc1cccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CC2)c1OC 1874521027 XKNZDNUGLRSXLO-CVKSISIWSA-N 444.560 5.500 30 10 IKEE CCCc1ccc(OCc2nnc(S)n2/N=C/c2cccc(Oc3ccccc3)c2)cc1 1874566856 RINVDSCUQXKPPO-YZSQISJMSA-N 444.560 5.773 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccccc2Cl)c1OCC(=O)OCC(C)C 1874574787 GEVPFNGVESFAEX-CMDGGOBGSA-N 437.319 5.476 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Br)ccc2OCc2ccccc2F)cc1 1874575164 ZBHMFTDHRZOBOZ-XYOKQWHBSA-N 441.296 6.072 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2c(F)cccc2Cl)cc1 1874575800 HJMDMCWFESFTKG-SDNWHVSQSA-N 426.871 5.971 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(F)cc1F 1874576595 VILJHGMWUNIVMN-UXBLZVDNSA-N 441.861 5.840 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2cccc3ccccc23)cc1 1874578023 RGMWRHBTRICFQM-FOWTUZBSSA-N 442.942 7.367 30 10 IKEE Cc1cc(C(=O)/C=C/c2c(OCC(=O)Nc3nccs3)ccc3ccccc23)ccc1F 1874580319 IJADIBZSWPKTSK-CSKARUKUSA-N 446.503 5.657 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cc(Cl)ccc1OCc1ccc(F)cc1 1874588879 JQSWYDAMPFPSSW-WEVVVXLNSA-N 445.317 6.925 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cc(Cl)ccc1OCC(=O)OCC(C)C 1874592453 KPTMDFNFSWISOT-QPJJXVBHSA-N 437.319 5.476 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3c(C)cccc3C)c2)c1 1874593971 KZQKJCZKOSHLGF-ACCUITESSA-N 445.515 5.234 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1OCc1ccccc1Cl 1874599971 MMGFACQDJHIMGC-SDNWHVSQSA-N 448.990 7.430 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1Cl)NCc1ccco1 1874603810 GNRCEKCKVIMNSK-YRNVUSSQSA-N 449.934 5.403 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3cccc(F)c3)c(OC)c2)cc1C 1874607028 RXRIFVVPUGXPRH-CSKARUKUSA-N 436.479 5.635 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)c1 1874619422 ZVSDHQWQBXLHDV-GXDHUFHOSA-N 445.515 5.234 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1C 1874628943 DOIQYXONPNGACW-KPKJPENVSA-N 439.382 7.702 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCc3c(Cl)cccc3Cl)c(Cl)c2)cc1C 1874631461 CXARBMZDOKDFID-JXMROGBWSA-N 445.773 7.739 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 1874638484 CGRQZPGGUPWRMM-NTUHNPAUSA-N 435.907 5.571 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cccc(OC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)c2)c1 1874703316 JUIBNQLUORKLGJ-GSTVHYHFSA-N 442.555 6.696 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(F)cc3F)c2)cc1 1874706153 RYWALCGJTSTSMX-VGOFMYFVSA-N 434.482 6.307 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(OC)c1OC(=O)c1sccc1C 1875111619 MSLFHBNESDZLGZ-CMDGGOBGSA-N 442.920 5.842 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)c(F)c2)cc1)c1cccc(Br)c1 1875114301 IRLFMVPPMFARLM-IZZDOVSWSA-N 443.243 5.843 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc3ccccc23)c(Cl)c1)c1ccc(F)cc1F 1875120803 LFMGSICUEKMHNV-XYOKQWHBSA-N 448.852 6.887 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC(=O)CC1CCCCC1 1875125485 LEEHLXSRMNLMIN-RIYZIHGNSA-N 426.940 6.511 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2OC)cc1OC 1875134412 ROAZNFPGZVVBAR-YRNVUSSQSA-N 446.499 5.445 30 10 IKEE CSCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1Cl 1875135277 JFSSYPFETQFSAE-XBXARRHUSA-N 443.779 6.592 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OC(=O)c1ccco1 1875148646 JXBOATCLZATBNB-KPKJPENVSA-N 438.907 6.354 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(Cl)c1OC(=O)c1ccco1 1875153361 CPPGBRLDBZWADX-VAWYXSNFSA-N 432.859 6.210 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)[C@H]1CCCO1 1875156597 COOOCEOTPDKQFG-NNALFKCQSA-N 434.532 5.528 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)CC3CCCCC3)cc2)cc1C(C)C 1875163437 KXUOTFDHAINSOZ-NTCAYCPXSA-N 434.576 6.899 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3C)cc2)cc1C(C)C 1875163523 OZWUDQNCNCOECI-NTCAYCPXSA-N 428.528 6.551 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)c(C)c3)cc2)c(OCC)c1 1875178192 XXMNHPRFKIOKKX-MHWRWJLKSA-N 444.527 6.216 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N(CCO)CCCC)n2CC 1875201219 JEHRBFQLLKAELV-UHFFFAOYSA-N 445.652 5.238 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@H](C#N)[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C 1899596875 WXRFAQBCSITCPJ-IAGOWNOFSA-N 435.590 5.023 30 10 IKEE CC1(C)CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Br)[C@@H](CN)C1 1927159057 HEGIJTXPGKTBHX-QVKFZJNVSA-N 436.394 5.238 30 10 IKEE C=CCC1(NCc2cc(C)cc(Br)c2F)CCN(C(=O)OC(C)(C)C)CC1 1927525454 XYWPJKVQOPVPPI-UHFFFAOYSA-N 441.385 5.332 30 10 IKEE N#Cc1ccc([C@@H](CCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c(F)c1 1951643471 JWNNQWGTVZZJKO-XMMPIXPASA-N 444.462 5.142 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C3CCC3)C[C@@H]21 2001959254 YPKWLXCPHNMWHD-YIGJPRQDSA-N 433.593 5.238 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1N(C(=O)OC(C)(C)C)CCCC1(C)C 2013226061 GQMIJXXPPLCOFA-PKTZIBPZSA-N 430.633 5.553 30 10 IKEE CCc1cc(Br)c([C@@H](C#N)N(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)s1 2029268427 SJPMCESAMRHWPL-SWLSCSKDSA-N 429.380 5.054 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)[C@@H]1C(C)(C)C 2076161353 MGFVJUAFQDMTQI-MHECFPHRSA-N 447.551 5.495 30 10 IKEE COc1ccc([C@H](n2nc(C(F)(F)F)c(C=NO)c2Br)C(C)(C)C)c(C)c1 2079943675 FVIIOYKELFSQRN-HNNXBMFYSA-N 448.283 5.425 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@H](C#N)c1cc(Cl)cc(Br)c1 2088228359 UXJBBHNKXMDDIQ-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE O=C(CC#CC1CCCCC1)c1ccc(I)c(Br)c1 2093449875 GGWFOGMWWBBHPU-UHFFFAOYSA-N 431.111 5.210 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Br)ccc1Cl)NCC 2110498347 PPUXHTALDCXQME-MSOLQXFVSA-N 445.829 5.483 30 10 IKEE N#Cc1cc(Br)ccc1N1CCCCN(Cc2ccccc2)CC(F)(F)C1 2164876301 CBQKLWYHQSACNX-UHFFFAOYSA-N 434.328 5.058 30 10 IKEE C#CCN(C(=O)c1ccc(Br)c(NC(=O)OC(C)(C)C)c1)C1CCCCC1 2180049958 ZLVFQHFVEIIYQY-UHFFFAOYSA-N 435.362 5.204 30 10 IKEE C=CCC1([C@@H](NCC)c2sc(C)c(C)c2Br)CN(C(=O)OC(C)(C)C)C1 2229303428 DAPWQRZLOXGNRQ-KRWDZBQOSA-N 443.451 5.591 30 10 IKEE CCCCCCCC[C@H](O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237394990 VVPSZMKVRNOKPW-PMACEKPBSA-N 442.438 5.996 30 10 IKEE CCN[C@@H](C#Cc1cccc(Cl)c1)c1scc(Br)c1Br 2239559335 PRLFUBJVZZAWGX-ZDUSSCGKSA-N 433.596 5.629 30 10 IKEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N(Cc1ccccc1)c1ccccc1 2255595762 BCUHIJOCEQHUQB-UHFFFAOYSA-N 433.382 5.203 30 10 IKEE N[C@H](C#Cc1cccc(Br)c1)c1c(Br)cccc1Br 2278738418 VUBMDJXBGYNRNM-CQSZACIVSA-N 443.964 5.026 30 10 IKEE C=C([C@@H](OCCC(=O)O)c1cc(Br)c(Br)s1)C(C)(C)C 2291136064 MKXYAOIRZRGUAS-GFCCVEGCSA-N 426.170 5.408 30 10 IKEE CN[C@H](C#Cc1cccc(Br)c1)c1cc(Cl)ccc1NC(=O)OC(C)(C)C 2296230742 WOSVQNNAGTXCQN-GOSISDBHSA-N 449.776 5.762 30 10 IKEE O=C1C(=Cc2cccc(Br)c2)SC(=Nc2ccccc2)N1Cc1ccccc1 2296373921 BSOCMNASONXDMO-UHFFFAOYSA-N 449.373 6.253 30 10 IKEE CCCCOc1ccc(C(=O)C=Cc2ccc(Br)cc2)cc1OCCCC 2297616654 AUVKENHAIMCNGZ-UHFFFAOYSA-N 431.370 6.703 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H]2C[C@@](C#N)(N(C(=O)OC(C)(C)C)c3ccccc3)CC[C@H]21 2308121634 QGADLUYGCKFNQY-NNPDTBDGSA-N 441.572 5.500 30 10 IKEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 2313420079 QVXDIXFORIOKSB-XLXZRNDBSA-N 436.548 5.005 30 10 IKEE CCCCCCCOc1ccc(NC(=S)NC(=O)C=Cc2cccc3ccccc23)cc1 2313763955 QHUHEWOTESQLES-UHFFFAOYSA-N 446.616 6.715 30 10 IKEE O=C(C=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(NC(=O)c2ccccc2)cc1 2314456841 BPEVUZCHZWGFJL-UHFFFAOYSA-N 438.439 6.003 30 10 IKEE O=C(C=Cc1ccco1)Nc1ccc(C(=O)C=Cc2ccc(-c3cccc(Cl)c3)o2)cc1 2314523313 QFQOCNRQOZOKAK-UHFFFAOYSA-N 443.886 6.741 30 10 IKEE Fc1ccc(COc2ccc3ccccc3c2C=Nn2c(S)nnc2-c2ccco2)cc1 2321912010 OYOTXPFZJFRDAT-UHFFFAOYSA-N 444.491 5.580 30 10 IKEE O=C(COc1ccccc1C=CC(=O)c1ccc(Cl)cc1Cl)Nc1ccccc1 2322379268 BCPKNIKRJNLSBX-UHFFFAOYSA-N 426.299 5.907 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(Cl)cc2C=CC(=O)c2cc(C)ccc2C)cc1 2322617436 HXQXPYREAFNJSP-UHFFFAOYSA-N 447.962 6.433 30 10 IKEE Cc1cc(OC(=O)C2CCCCC2)cc2c1C(=O)C(=Cc1ccccc1Br)O2 2322738180 GXNSQVKZEBHYFK-UHFFFAOYSA-N 441.321 5.859 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2cc(Cl)ccc2OCc2ccccc2)cc1Cl 2322884447 VOSYJDQYVZUUGZ-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE COC(=O)COc1c(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc(Cl)cc1OC 2322953301 LOCAQJHZKDNUEF-UHFFFAOYSA-N 430.928 5.402 30 10 IKEE COc1cccc(C=CC(=O)c2cc(Cl)ccc2Cl)c1OCc1cccc(Cl)c1 2323005213 SRACLOOOTYPFLV-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1OCc1c(F)cccc1Cl 2323118099 LVYSLLWFOJLVKI-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OCC(=O)Nc1ccc(C)cc1C 2323138739 NETUPBMKKONXPA-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)c(Br)c1OCCO 2323149279 DPTPUTBVUUJSCH-UHFFFAOYSA-N 446.124 5.032 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)C=Cc4ccc(Cl)cc4)c3C)C2=O)cc1 2323327776 ROIKAAKTSPDEIJ-UHFFFAOYSA-N 430.887 6.192 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1C 2323561608 RXMBVXVLXZEFPX-UHFFFAOYSA-N 437.879 6.040 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)C=Cc1ccc2c(c1)OCCO2 2323580009 DIKKMZISKFGJAK-AREMUKBSSA-N 444.616 5.013 30 10 IKEE CCCOc1c(OC)cc(C=NNc2nc(-c3ccc(Cl)cc3)cs2)cc1[N+](=O)[O-] 2323840669 IWHNPKMWFKNXPV-UHFFFAOYSA-N 446.916 5.615 30 10 IKEE Cc1cccc(C=C2Oc3c(CN(Cc4ccccc4)C(C)C)c(O)cc(C)c3C2=O)c1 2324014896 PMILUWCGYUKZAI-UHFFFAOYSA-N 427.544 6.036 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OCc1cccc(Cl)c1 2324319735 DRHIMPISXBYUFN-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE CCOc1c(Br)cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc1OC 2324538456 OMSTXJNAXIKUEQ-UHFFFAOYSA-N 439.733 5.723 30 10 IKEE Cc1c(OCCOc2ccccc2F)ccc2c1OC(=Cc1ccc(C(C)C)cc1)C2=O 2324857824 XMUBETMFXNBPDK-UHFFFAOYSA-N 432.491 6.332 30 10 IKEE Cc1c(OCC(=O)N[C@H](C)c2ccccc2)ccc2c1OC(=CC=Cc1ccccc1)C2=O 2325019953 QKJXEUBCNMHPKM-HXUWFJFHSA-N 439.511 5.424 30 10 IKEE Clc1ccc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccccn2)cc1 2325461737 RUNMRVRSLSKBJD-UHFFFAOYSA-N 433.968 5.286 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1N=Cc1cc(Cl)c(O)c(OC)c1 2325512971 CBTVCLYOCOQAQA-UHFFFAOYSA-N 448.951 5.302 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cc4ccccc4n3C)c2)cc1OC 2325704039 XTYNOTOEXNCYDE-UHFFFAOYSA-N 441.483 5.311 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)CC(C)(C)C)c2)cc1 2325751943 CJANOAVVLGGECY-UHFFFAOYSA-N 436.592 7.274 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)c3ccccc3C)c2)cc1C(C)C 2325754092 UTSJTZXDQNYPBI-UHFFFAOYSA-N 428.528 6.551 30 10 IKEE O=C(C=Cc1cc(Br)c(O)c(Br)c1)c1cccc2ccccc12 2325793563 IVZAFSJABSACCL-UHFFFAOYSA-N 432.111 5.967 30 10 IKEE C=C(C)CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccccn1 2326130569 LZSIBEBOSKQTQL-UHFFFAOYSA-N 427.961 5.073 30 10 IKEE CCOc1ccc(C=Nn2c(CC)nnc2SCc2ccccc2Cl)cc1OC 2326546364 CTLBQBZEEWDXSE-UHFFFAOYSA-N 430.961 5.076 30 10 IKEE C=CCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc(CC)cc1 2326605984 UJJFIYSBHZVDJL-UHFFFAOYSA-N 426.589 5.939 30 10 IKEE CCCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1c(F)cccc1Cl 2327771914 YGWJBPJYDCQKQJ-UHFFFAOYSA-N 438.959 6.199 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3Cl)n2N=Cc2ccncc2)cc1 2327919848 WEIINCXEGVSTNP-UHFFFAOYSA-N 447.995 5.595 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(OC)cc2)n1N=Cc1ccc(C(C)C)cc1 2328576731 HDKLYVVVHJPNRT-UHFFFAOYSA-N 434.609 5.746 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2C)n1N=Cc1ccncc1 2329470082 RZYSBSKREQEYSX-UHFFFAOYSA-N 427.577 5.250 30 10 IKEE Cc1ccccc1C=Nn1c(CCc2ccccc2C)nnc1SCc1ccccc1 2329484499 QYUBRVXLVMTBNL-UHFFFAOYSA-N 426.589 5.855 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(SCCCO)nnc2-c2ccccc2Cl)cc1 2329607840 PNGKNMFBOKMHIL-UHFFFAOYSA-N 428.989 5.253 30 10 IKEE C=C(C)CSc1nnc(CCc2cccs2)n1N=Cc1ccc(C(F)(F)F)cc1 2329660692 NUTPBPAZLZEKDV-UHFFFAOYSA-N 436.528 5.694 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(F)cc3)n2N=Cc2sccc2C)c1 2329817074 VSIFEDVMCXUNII-UHFFFAOYSA-N 436.581 5.861 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1cccs1 2330054972 NQEDJGBWPXPBOO-QGZVFWFLSA-N 447.589 5.104 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)C=Cc1ccc(OC)cc1 2330110854 PGALTZVAKIMOAJ-XMMPIXPASA-N 430.633 5.640 30 10 IKEE Fc1ccccc1C=Nn1c(CC2CCCCC2)nnc1SCc1cccc(Cl)c1 2330290260 NNAXCCVCKUGPAY-UHFFFAOYSA-N 442.991 6.368 30 10 IKEE Cc1ccccc1CSc1nnc([C@@H]2CCCO2)n1N=Cc1c(Cl)cccc1Cl 2330894591 KFWGFIADFQRAIV-IBGZPJMESA-N 447.391 5.919 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2)cc1 2331138396 CZUUOAYVSXSZDX-UHFFFAOYSA-N 448.946 6.563 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc(OC)cc(OC)c3)cc2)cc1 2331294219 DICXWPVWMUOOQW-UHFFFAOYSA-N 446.499 5.608 30 10 IKEE CCCCc1nnc(SC)n1N=Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 2331313296 ASWCLMDDESMTEQ-UHFFFAOYSA-N 444.988 5.466 30 10 IKEE C[C@@H](C(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1Cl)c1ccccc1 2331439758 KCHQINOOHLZDPU-MRXNPFEDSA-N 434.875 5.674 30 10 IKEE Cc1cccc(CSc2nnc(C3CCC3)n2N=Cc2c(Cl)cccc2Cl)c1 2331498502 XYHFHIUZIISZHW-UHFFFAOYSA-N 431.392 6.335 30 10 IKEE CC(C)[C@@H](C)N(Cc1ccccc1)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(F)(F)F)n1 2339599032 JYVBKMUCFHLPSF-QGZVFWFLSA-N 448.338 5.451 30 10 IKEE CC[C@@H](Nc1ccc(OCc2ccccc2)cc1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363843346 HOYRWEIJOISXSN-AREMUKBSSA-N 443.396 6.128 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCCC)c2cc(Br)ccc2OC)C1 2364619051 FHWWEAQZGSKVNW-GOSISDBHSA-N 439.394 5.112 30 10 IKEE CC(C)(C)OC(=O)N[C@]1(C)C[C@H]2CC[C@H]1C[C@@]2(C#N)Nc1cccc(Br)c1 2381194863 HXFNKPXTVWZJKY-RSMHBEIYSA-N 434.378 5.227 30 10 IKEE O=C1/C(=C\c2cccc(Br)c2)Oc2cc(OCc3ccc(F)cc3)ccc21 2405870 NSIHDZCGMYLYDX-SRZZPIQSSA-N 425.253 5.783 30 10 IKEE CC(C)CN(CC(C)C)C[C@H](O)Cn1cc(/C=C/C(=O)c2cccs2)c2ccccc21 20439396 QTMRIMFELBWHMJ-LEQVUBRHSA-N 438.637 5.574 30 10 IKEE N#CC1(c2ccc(NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)cc2)CCCC1 20496858 APEIZOBKMFDVIU-UHFFFAOYSA-N 425.315 6.841 30 10 IKEE CN(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2O)cc1 21225245 SKPYJJGGBHDNKB-DNOBIOAJSA-N 425.532 5.438 30 10 IKEE COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2F)c1 21251521 JYVASCSBDWQVMO-OQRWROFFSA-N 444.506 5.822 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1cc(-c3ccc(Cl)cc3)nn1[C@@H]2c1ccc(Cl)cc1 21658642 MLWIDVCSXXXLDW-HSZRJFAPSA-N 438.358 6.515 30 10 IKEE COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccccc2F)cc1OC 33324898 BRUBXGKOVGUKFP-CMJOXMDJSA-N 434.467 5.098 30 10 IKEE C=CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)SC1=S 33934482 UHBOETHASHIRCZ-DEDYPNTBSA-N 435.549 5.374 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2ccc(C(=O)/C=C\c3cccc([N+](=O)[O-])c3)cc2)cc1 34954120 FFEZEXFDSSJJDG-APSNUPSMSA-N 429.472 6.008 30 10 IKEE Cc1cc(C)cc(/N=C2/NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)cc3)S2)c1 35074711 RREZBSKKLMEWGZ-OEAKJJBVSA-N 432.520 5.913 30 10 IKEE CC(C)c1ccc(/C=C2\S/C(=N/c3cccnc3Cl)N(c3ccccc3)C2=O)cc1 39864039 SJZCNOYVEBIHJZ-AGEIGWASSA-N 433.964 6.667 30 10 IKEE CC[C@@H](Sc1cc(-c2ccccc2)ncn1)C(=O)Nc1sc2c(c1C#N)CCCC2 40171559 WQXYNOGPLMTHEH-LJQANCHMSA-N 434.590 5.465 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OC(=O)c3cccc(OC)c3)cc(C)c2C1=O 41287631 XQLHBCGPNJYBOI-UCQKPKSFSA-N 430.456 5.238 30 10 IKEE COc1ccc2ccccc2c1/C=N/c1ccccc1/N=C/c1c(OC)ccc2ccccc12 59508024 MEFFYKKCYGUOJR-GKTLAHRSSA-N 444.534 7.511 30 10 IKEE COc1cccc(-c2nnc(S[C@H](C#N)Cc3ccc(C)cc3)n2-c2ccccc2)c1 71798045 MXSGRKRYMZATOM-QHCPKHFHSA-N 426.545 5.478 30 10 IKEE C=C(CC[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)C(C)C 85967653 XHFAXVFEJWTPSR-OOHBWILNSA-N 446.672 5.067 30 10 IKEE biogenic CCCCCCCCCCCC(=O)Nc1nnc(SCc2cccc(OC)c2)s1 98021567 UEOQYAQLEZAYKZ-UHFFFAOYSA-N 435.659 6.698 30 10 IKEE CCN1C(=O)C[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)S/C1=N\c1ccc(F)cc1 100197370 CKJVXKBISXKFDY-PWEHGMCJSA-N 440.327 5.113 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(Nc2nccs2)c1N 101531586 LFMPFKMGZNZYSI-UHFFFAOYSA-N 432.682 7.152 30 10 IKEE CCCCCCCCCCCCCCCCn1c(-c2ccc(F)cc2)nc2ccccc21 101907235 IXDNHIJOFFLQRQ-UHFFFAOYSA-N 436.659 9.324 30 10 IKEE CCCCCCCC(=O)N(Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)C1CC1 102991160 AQZJNPRVKCHQFR-UHFFFAOYSA-N 447.572 5.445 30 10 IKEE C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C/c1ccc(C(F)(F)F)cc1)C2=O 118919572 UELTYJDTQILMTO-YYZLKRMJSA-N 446.553 6.671 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/Nc2ccc(C)c(C)c2)cc1Br 169876683 AHFQBZLQGYSVHT-NLRVBDNBSA-N 445.445 7.641 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2cc(C)cc(C)c2)c1 169929942 BJNSEWGGFSSTFO-RUZDIDTESA-N 441.527 5.712 30 10 IKEE CCCCCCCCCOc1ccc([C@@H]2NC(=S)N(C)C(C)=C2C(C)=O)cc1Cl 169936931 MAUXKQLNOFTNDJ-QFIPXVFZSA-N 437.049 6.193 30 10 IKEE Cc1sc(N/N=C\c2cc(Cl)c(OCC(C)C)c(Cl)c2)nc1-c1cccs1 169941345 SXVCTPKDMWSKGT-AFPJDJCSSA-N 440.421 6.968 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2cccc(C)c2)c1 169966102 QAFBNHUVLNNACU-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2c[nH]c3ccccc23)cc1 170074504 CEHLXQKRICQTMI-DEOSSOPVSA-N 438.483 5.268 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2ccc(C)cc2)=C(N2C[C@@H](C)O[C@H](C)C2)C1=O 170076962 GWPNCZXUMZGLMY-FGZHOGPDSA-N 440.628 5.325 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2cccc(O)c2)ccc1F 170079484 BMRWVXOSFWOEMY-DEOSSOPVSA-N 445.490 5.746 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(O)cc2)ccc1OC(C)C 170138506 OGCNRIBSJHIVQO-HSZRJFAPSA-N 435.520 5.009 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@H]1c1cccc(C)c1 170147660 JJEAZIATGJYFSR-OAQYLSRUSA-N 441.955 5.734 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2ccc(OC(C)C)cc2)cc1 170152417 ZBPBDEQNNAUIDX-HSZRJFAPSA-N 437.536 5.251 30 10 IKEE COCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc2ccccc12 170220497 YRCXLOJSGMQKSP-RUZDIDTESA-N 437.495 5.218 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccccc2)ccc1Cl 170224537 PLJIDOXYNOCPES-QFIPXVFZSA-N 449.890 5.227 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccc(C)o2)cc1C 170304936 DOJJBBYDDXIGQB-XMMPIXPASA-N 445.515 5.695 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@H]1c1c(C)[nH]c2ccccc12 170312301 RQKDBEBDYJOJCS-OAQYLSRUSA-N 438.911 5.127 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 170346204 ARRHSDCIJCGPHN-QFIPXVFZSA-N 442.540 5.700 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Oc3ccccc3)cc2)[C@H]1c1ccco1)c1ccccc1 170400744 JJHPIOPXHKMZIU-DEOSSOPVSA-N 437.451 5.855 30 10 IKEE Cn1cc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2ccc(F)cc2)c2ccccc21 170424142 QKBXKRLUPFUMBT-JOCHJYFZSA-N 446.503 5.157 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1cccc(Oc2ccccc2)c1 170455634 YJICPXXSIUVZLU-QHCPKHFHSA-N 447.487 5.075 30 10 IKEE CC(C)c1ccc(C=Nn2c(N)c(C(=O)Nc3ccccc3)c3nc4ccccc4nc32)cc1 254353529 YFKBDSSHODDVQX-UHFFFAOYSA-N 448.530 5.425 30 10 IKEE Cc1cccc(/C=C2\SC(=Nc3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)c1 254404398 NBDMVMSMZLRAIY-YMTQWUKOSA-N 437.568 6.323 30 10 IKEE CCc1cccc(C)c1NC(=S)NN=C1C(=O)N(Cc2ccccc2C)c2ccccc21 254757346 LIGZZNOWZBXPDQ-UHFFFAOYSA-N 442.588 5.103 30 10 IKEE SC[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cc(Cl)ccc1I 382735731 WVLXSEBHRMAJSK-WMLDXEAASA-N 443.781 5.090 30 10 IKEE CC(C)Oc1ccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526514051 ATGMDYIMUFGIEX-XMMPIXPASA-N 428.463 5.542 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(O)c(Cl)c2)cc1 526516961 RBRQVASAHIUCPX-QHCPKHFHSA-N 446.890 5.373 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@](C)(C#N)c1ccc(Br)cc1F 698427653 WGVALZBLLAQIFQ-OAQYLSRUSA-N 433.321 6.077 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1ccc2c(c1)OCO2 698444080 LFBMMGHZXBTKAC-INIZCTEOSA-N 431.286 5.184 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)cc(Br)cc1F 701864891 VGSHYLIBDZKESK-SJLPKXTDSA-N 447.364 5.628 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2nc(C)c(Br)s2)cc1 719322207 PBFXRDSYQIQQDL-CQSZACIVSA-N 438.347 5.229 30 10 IKEE Cc1ccc(-n2cc(/C=C3\COc4ccc(C)cc4C3=O)c(-c3ccc(Cl)cc3)n2)cc1 725330991 PPESIBGANASAPD-KGENOOAVSA-N 440.930 6.468 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1ccc(OCc2ccccc2)cc1 829348857 WVWVNSJDTMCRNA-RUZDIDTESA-N 428.532 6.580 30 10 IKEE N#CC(=NNc1cc(Cl)c(Cl)cc1Cl)c1nc(-c2ccc(Cl)cc2)cs1 1081822497 HAANUXIUWHUHIR-UHFFFAOYSA-N 442.158 6.763 30 10 IKEE CC(CC(C)C)=NNc1nc(SCC(=O)Nc2ccccc2Oc2ccccc2)n[nH]1 1084351142 XIACQCMYQLQHCW-UHFFFAOYSA-N 438.557 5.162 30 10 IKEE COc1ccc(C=NNc2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)c(OC)c1 1084353784 RIKJBNNRUAVHNM-UHFFFAOYSA-N 429.545 6.249 30 10 IKEE COc1ccc(Oc2ccc(N=Cc3ccc(-c4ccc(C)c(C(=O)O)c4)o3)cc2)cc1 1084648283 GDTRIKFJJQXKNM-UHFFFAOYSA-N 427.456 6.505 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)CCSc2n[nH]c(NN=C/C=C/c3ccccc3)n2)cc1 1084655488 CJZNKPPDMIVHKI-YDNQRYEQSA-N 448.596 5.550 30 10 IKEE O=C(O)c1cccc(N=C2S/C(=C\c3ccccc3[N+](=O)[O-])C(=O)N2c2ccccc2)c1 1772735037 HPGMIWRRNLWFBC-KWKLDLJFSA-N 445.456 5.102 30 10 IKEE CCCCCCCCn1cc(OCC(=O)Nc2ccc(C(C)C)cc2)c(=O)cc1C(=O)O 1857890822 FJGADEVMOVBRFT-UHFFFAOYSA-N 442.556 5.048 30 10 IKEE N#C[C@H](c1cccs1)N1CCC(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 1858107056 SSHXWSZDXHYBJY-MRXNPFEDSA-N 427.879 5.336 30 10 IKEE CCCCCCCOc1cccnc1NC(=O)Nc1cc(C(F)(F)F)ccc1Cl 1858853719 DORSHLZIGTXGAW-UHFFFAOYSA-N 429.870 6.747 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)CSc1nc(O)c(C#N)c(-c2ccccc2Cl)n1 1860827652 XTKVVONYZJYPFV-UHFFFAOYSA-N 445.331 5.067 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC(C)C)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 1861128494 WQBNIXDBTIKMMZ-IOUNIBQOSA-N 445.604 5.396 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cccs1 1861320643 HOTSYBFBKKUXDC-NRFANRHFSA-N 432.605 5.485 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc2nc(-c3ccc4ccccc4c3)[nH]c2c1 1861876072 MNLBNJPKGSVSHC-UHFFFAOYSA-N 427.592 7.254 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2C)cc1 1862389904 QAIITWKOKVTEGO-DEOSSOPVSA-N 429.516 5.709 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc(OCC)cc2)cc1 1862393272 RKMIFJCAHUMODG-DEOSSOPVSA-N 435.564 5.662 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@@H]1c1ccc(O)cc1)c1ccc(F)cc1F 1862412244 ZTDODODCRNECCN-JOCHJYFZSA-N 439.458 5.139 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862429482 OOKLBXBXUWVCQC-HSZRJFAPSA-N 435.951 6.117 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc2c(c1)CCCN2C 1862452033 SIOAVZKEUPVWQZ-NYHFZMIOSA-N 438.955 5.099 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccccc1 1862455665 ACLJBVGEFTYDMV-LZHZSBQWSA-N 429.438 5.261 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(OCCCC)cc1 1862463811 XRUABGXVWLNQDX-OAQYLSRUSA-N 445.437 5.047 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OCC)cc1 1862478317 DLJPQFSBNRVFDU-VWLOTQADSA-N 449.591 6.333 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2cccc(Cl)c2)c1 1862491716 ZINHXQPOJJEGJZ-HOYKHHGWSA-N 445.946 6.296 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1c(Cl)cccc1Cl 1862498992 VQXVZDSJNRAXGU-FQEVSTJZSA-N 448.346 5.225 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862510575 CBZVBMGQJZIKJG-HXPMCKFVSA-N 446.862 5.073 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2ccccc2Br)cc1 1862540010 DCWKBORCYNHFLO-VLIAUNLRSA-N 442.353 5.388 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(N)c2)=C(O)C(=O)N1C12CC3CC(CC(C3)C1)C2 1862554522 FBTXRLXPPBCMEZ-GETQMSEISA-N 442.559 5.124 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(F)cc1F 1862560839 NBPHZCSIVBSLGS-QFIPXVFZSA-N 442.506 5.486 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2cccc3ccccc23)cc1 1862592948 ANNYYQBHRAFQMD-AREMUKBSSA-N 449.506 5.632 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc(OCCC)c1 1862697095 YJTPRSNBEAOGLP-QHCPKHFHSA-N 437.536 5.253 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(Nc3ccccc3C#N)=C(c3c[nH]c4ccccc34)C2=O)c1 1863123691 AVRUAZFCWLLENN-UHFFFAOYSA-N 432.483 5.053 30 10 IKEE N#Cc1ccccc1NC1=C(c2cccc3ccccc23)C(=O)N(Cc2cccs2)C1=O 1863230540 JCOLPDPECPVLCP-UHFFFAOYSA-N 435.508 5.165 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccc(Cl)cc2)=C(c2ccc(F)cc2)C1=O 1863508198 UJSUOJLXLWVKQT-UHFFFAOYSA-N 442.962 5.709 30 10 IKEE CCCCCCCCNC1=C(c2ccc(OCCC)cc2)C(=O)N(Cc2ccncc2)C1=O 1863677797 NXPQMNZANIGQBF-UHFFFAOYSA-N 449.595 5.101 30 10 IKEE CCCCCCCCCCNC1=C(c2cc(OC)ccc2OC)C(=O)N(CC(C)C)C1=O 1863713474 YGFKMGZWIBJLJL-UHFFFAOYSA-N 444.616 5.170 30 10 IKEE CCCCCOc1ccc(/C=C(/C(=O)N(CCC#N)CCC#N)c2ccccc2)cc1OC 1866310939 XTFXUFCMRFWGHD-HIXSDJFHSA-N 445.563 5.461 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N1CCN=C1c1ccc(N)cc1 1866342176 BYISNLFJNKCXOH-UHFFFAOYSA-N 427.677 7.119 30 10 IKEE CCCCCCCCCCNC(=O)Cc1c(-c2ccc(F)cc2)[nH]c2ccc(Cl)cc12 1868192615 OYSFABVCHHIEQO-UHFFFAOYSA-N 443.006 7.427 30 10 IKEE CCCCCCCCn1cc(OCc2cccc(OC)c2)c(=O)cc1CSC(C)C 1870165089 GWPOIKAULHYSBM-UHFFFAOYSA-N 431.642 6.438 30 10 IKEE C=CCn1cc(OCc2ccccc2C)c(=O)cc1CSCCc1nc2ccccc2[nH]1 1870170325 AMYGJVNYZQJXJD-UHFFFAOYSA-N 445.588 5.274 30 10 IKEE CCCCCCCOc1cn(CCc2ccc(C)cc2)c(CN2CCC[C@H](C)C2)cc1=O 1870412584 DGBQPCIQAMTKII-DEOSSOPVSA-N 438.656 5.981 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2c(C)noc2C)cn1CCC1=CCCCC1 1870566048 KNOPFIKVQGDUAH-UHFFFAOYSA-N 437.584 5.097 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(Cc1ccccc1F)C3 1871346957 MFSHQVVDCSVMTJ-CFRMEGHHSA-N 445.490 5.501 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc([N+](=O)[O-])cc4Cl)c3C)C2=O)c1 1871374060 OJDKQZRZECCPKF-NHDPSOOVSA-N 449.846 5.700 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2C)C3=O)cc1 1871375640 WCWJOIAPZZJLDW-JLPGSUDCSA-N 428.484 5.466 30 10 IKEE Cc1cc(OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc2c1C(=O)/C(=C/c1ccccc1)O2 1871381790 CXUAQESTZYOYKX-WSHPORRNSA-N 427.412 5.138 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc(C)c3C2=O)cc1 1871384239 TUZKNDHJECVKTE-FBHDLOMBSA-N 449.846 5.700 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2sccc2C)C3=O)c(C)c1 1871413473 HNRLJSUYGVVAKI-FPJJECCMSA-N 447.556 6.004 30 10 IKEE CCc1ccc(NC(=O)[C@@H](CC)Oc2ccc3c(c2C)O/C(=C\c2ccco2)C3=O)cc1 1871426030 SYNTUXOVAZOHBM-FYYJVHHASA-N 431.488 5.563 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccc(Cl)cc3)cc(C)c2C1=O 1871440917 NQHKCQONYNUMIC-UUYOSTAYSA-N 433.891 5.591 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(Cl)c(Cl)c3)n2)cc1 1872762883 YRPXEUKBXWYMKU-SFHVURJKSA-N 443.399 6.878 30 10 IKEE N#C[C@@H](C(=O)CCOc1ccccc1)c1nc(-c2ccc(Br)cc2)cs1 1872764573 QRMKNOLUTLOULL-KRWDZBQOSA-N 427.323 5.218 30 10 IKEE CCc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2ccc(Br)cc2)cs1 1872765177 JCTOKRIRNRDIGR-KRWDZBQOSA-N 441.350 5.390 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)c2cccc(OCC(C)C)c2)n1 1872785361 LHJVBDZOQFLIHF-QHCPKHFHSA-N 446.616 6.941 30 10 IKEE Cc1cc(C)c(C2=C(Nc3cccc(C#N)c3)C(=O)N([C@H](C)c3ccccc3)C2=O)c(C)c1 1873329594 WKKHBLWVRCUOSP-HXUWFJFHSA-N 435.527 5.437 30 10 IKEE COc1ccc(/C=N/Nc2oc(-c3cccs3)nc2C#N)cc1OCc1ccc(C)cc1 1873462068 MITLNFFMGLJILA-VULFUBBASA-N 444.516 5.617 30 10 IKEE CCCCCCCCN=c1nc2c(cnn2-c2ccccc2)c(Nc2ccccc2O)[nH]1 1873478306 QZGVFUYQJIDNCI-UHFFFAOYSA-N 430.556 5.459 30 10 IKEE C=CCn1c(C(=O)Nc2cc(C)ccc2C)cc2c(NCc3ccccc3C)ncnc21 1873618877 MHJPPKDUEXCXLN-UHFFFAOYSA-N 425.536 5.407 30 10 IKEE CCCCCCCCCCNC(=O)c1csc(Nc2ccc(Cn3cncn3)cc2)n1 1873935500 SRGPLARZPNRECU-UHFFFAOYSA-N 440.617 5.397 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccccc1O 1874214686 ZTXJRNSOFDRUIK-HZHRSRAPSA-N 430.961 5.033 30 10 IKEE CCCc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2cccn2C)cc1 1874258074 HZHNAQIVKJCDON-YZSQISJMSA-N 445.592 5.323 30 10 IKEE C=CCSc1nnc(CCc2ccc(OC)cc2)n1/N=C/c1ccc(N(CC)CC)cc1 1874307232 LQLUQZODGDBRIG-LGUFXXKBSA-N 449.624 5.078 30 10 IKEE COc1cccc(CCc2nnc(SCc3ccccc3)n2/N=C/c2ccc(C)cc2)c1 1874310060 CFZQMJPNNVKUAU-OVVQPSECSA-N 442.588 5.555 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(Cl)cc3)n2/N=C/c2cccnc2)c1 1874337313 VCDVEDNKGSYNMH-CVKSISIWSA-N 433.968 5.400 30 10 IKEE Cc1ccc(CSc2nnc(CCOc3ccccc3)n2/N=C/c2cccc(O)c2)cc1 1874346077 VIEHPEGFEQPCAN-YZSQISJMSA-N 444.560 5.088 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccccc1O 1874364798 VKJKQDVXUWNFSC-AFUMVMLFSA-N 434.952 5.787 30 10 IKEE Cc1ccc(/C=N/n2c(COc3ccccc3)nnc2SCc2ccc(C)cc2)cc1 1874382364 LFGWQARHPGUQMJ-WGOQTCKBSA-N 428.561 5.648 30 10 IKEE Fc1cccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccc(Cl)cc2)c1 1874419325 IPUKAVDWEGIVCP-CVKSISIWSA-N 436.943 5.836 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(C(=O)O)cc1 1874479324 VLBVLRNAFFWFCO-WGOQTCKBSA-N 444.560 5.647 30 10 IKEE Cc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1c(Cl)cccc1Cl 1874535046 OMDIMRXZRBBLQW-GZIVZEMBSA-N 429.735 5.860 30 10 IKEE CCCOc1ccc(/C=N/n2c(S)nnc2COc2ccc(C)cc2C(C)(C)C)cc1 1874569340 RYWNNQJGDMTUMV-MFKUBSTISA-N 438.597 5.423 30 10 IKEE COc1cc(Br)cc(/C=C/C(=O)c2ccccc2)c1OCc1ccccc1C 1874578074 URKNUJYPMMQOSI-OUKQBFOZSA-N 437.333 6.241 30 10 IKEE Cc1ccc(C)c(COc2ccc(Br)cc2/C=C/C(=O)c2ccc(F)cc2)c1 1874584073 VIGUSPGZZZWGFC-YRNVUSSQSA-N 439.324 6.680 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(F)c(F)c1 1874585522 XRVWYGCDRWBHGS-JXMROGBWSA-N 441.861 5.840 30 10 IKEE COc1cc(C(=O)/C=C/c2cccc(OCc3ccc(Cl)cc3)c2)c(OC)cc1Cl 1874598761 CUWJJYJISPOHGC-DHZHZOJOSA-N 443.326 6.486 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 1874606434 NIZOLZRCYLYLPB-OQLLNIDSSA-N 439.382 7.811 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(C)cc1 1874613389 RMMZZHDRCDFLRY-KPKJPENVSA-N 427.327 6.786 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OCC(=O)Nc1ccc(F)cc1 1874619415 ZPXWGWNMVAXAQH-VZUCSPMQSA-N 449.478 5.065 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OCc3cccc(F)c3)c([N+](=O)[O-])c2)cc1 1874622546 ISQJGVLUHQWWLT-NTUHNPAUSA-N 433.479 6.507 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 1874624329 XZWGFQGNVHUNKU-MKMNVTDBSA-N 425.355 7.592 30 10 IKEE C=C(C)COc1c(Br)cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1OC 1874626720 SXKFERFWPZYAEM-VQHVLOKHSA-N 445.353 5.934 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(C)cc3)c(Cl)c2)c2ccccc12 1874638661 LRPSQUFTYNEONR-SDNWHVSQSA-N 442.942 7.285 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1OC(=O)Cc1ccc(F)c(C)c1 1874704026 SXNDLQZCNOPPRB-JXMROGBWSA-N 448.490 5.504 30 10 IKEE Cc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)c2)cc1C 1874706330 BHPYFQBIOQDZNU-CSKARUKUSA-N 428.484 5.119 30 10 IKEE COc1cccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)c2)c1 1874707753 VLAYGJMAFJSQII-LFIBNONCSA-N 444.527 5.873 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc3ccccc3c2)CSc2nnc(CC)n21 1874839334 HQUDKVNQYYDKEU-QFIPXVFZSA-N 436.625 6.056 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1OC 1875094330 MOHBXGZLYMXSLV-ACCUITESSA-N 447.443 5.117 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(OC)c1OC(=O)CCCSC 1875101357 MCDQBQWBJDQZGZ-NTCAYCPXSA-N 438.589 5.931 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3cc(C)cc(C)c3)c(OC)c2)c1 1875102869 RAKQDZSTYSELJY-MDZDMXLPSA-N 446.499 5.445 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1Cl)c1ccc(F)cc1F 1875113720 VAZAOCNWGPAFHL-WEVVVXLNSA-N 433.237 6.387 30 10 IKEE O=C(Cc1ccccc1Cl)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1Cl 1875120721 HOAABFOWDYVPIA-WEVVVXLNSA-N 447.264 6.316 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)c1cc(C)cc(C)c1 1875131399 WSOLATBCXPXFBG-VQHVLOKHSA-N 448.946 6.698 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCSC)c(OCC)c2)cc1 1875138939 KCQXTLNCNDMKJU-RIYZIHGNSA-N 442.577 5.819 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)c1ccccc1C 1875141020 JIZNFUSHFDVXHS-DHZHZOJOSA-N 438.882 6.220 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)c1cnc(C)cn1 1875141031 JWWFWHFVYAUXPO-QPJJXVBHSA-N 440.858 5.010 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2cc(C)cc(C)c2)c(Cl)c1 1875143174 MFMWGKUSOUBFHM-SOFGYWHQSA-N 434.919 6.389 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 1875156258 RJQRKYSHUQQYTD-LHHJGKSTSA-N 439.338 7.232 30 10 IKEE CCCC(=O)Oc1c(OCC)cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] 1875156520 FNPQREUSCLHXTP-MDWZMJQESA-N 425.481 5.719 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)CSc3ccccc3)c([N+](=O)[O-])c2)cc1C 1875174767 HLWPMKBAYJFSMC-FMIVXFBMSA-N 447.512 5.805 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc([N+](=O)[O-])c1OC(=O)C(C)C 1875189685 CALBOQPAUOSAPH-CMDGGOBGSA-N 441.480 5.076 30 10 IKEE CCCCCCCCCCNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2n1CC(C)C 1875237941 RGAWSGWPRZEJGC-UHFFFAOYSA-N 438.616 5.484 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](CSC(C)C)NC(=O)OC(C)(C)C 1975726637 JBENJSHNSZLGIL-VXKWHMMOSA-N 436.662 5.163 30 10 IKEE CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2014634277 FOEQNVUPKXKIBU-DVECYGJZSA-N 435.609 5.484 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2016224226 IQDHQWIXGRZXRD-KOSHJBKYSA-N 429.561 5.357 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C12CC2 2016350115 DLJKDQBLPVFAFK-HSZRJFAPSA-N 447.601 5.311 30 10 IKEE CC(C)(C)OC(=O)NC1CC2(CC[C@@]2(C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)C1 2064203940 WBEYDSKZSKGHSQ-ZBYWLKIMSA-N 445.535 5.297 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@H](C#N)[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2073117296 BRUDWBRRXABFKZ-VQIMIIECSA-N 447.551 5.495 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@@H](C#N)[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2073118315 JWOWFIJNATWRSL-LPHOPBHVSA-N 447.551 5.495 30 10 IKEE CC(C)(C)[C@@H](c1ccc(C2CC2)cc1)n1nc(C(F)F)c(/C=N/O)c1Br 2079102107 KBBKYXNIFOTTII-GENGVREBSA-N 426.305 5.904 30 10 IKEE CC(C)(C)c1nn(Cc2cc(F)cc(C(F)(F)F)c2)c(C(F)(F)F)c1Br 2079140339 KFDQJHOZIYSTAB-UHFFFAOYSA-N 447.192 6.168 30 10 IKEE CC1([C@H](c2ccc(C(F)(F)F)cc2)n2nc(C3CCC3)c(C#N)c2Br)CC1 2079874922 MBEXNWKEFZMMJU-KRWDZBQOSA-N 438.291 6.193 30 10 IKEE CC[C@@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)F)c(C#N)c1Br 2079986147 NAJBPBSTEIQJLG-NSHDSACASA-N 426.158 5.612 30 10 IKEE CC(C)Oc1ccc([C@@H](n2nc(C3CCC3)c(C=NO)c2Br)C2(C)CC2)cc1 2080125658 IYTBSADVDPITCD-HXUWFJFHSA-N 446.389 5.898 30 10 IKEE O[C@H](CC#CC1CCCCC1)c1cc(Br)ccc1I 2093458635 XRNFVFYIOCQBJJ-MRXNPFEDSA-N 433.127 5.061 30 10 IKEE CCOc1cc([C@H](C#N)N(C(=O)OC(C)(C)C)[C@@H](C)CC)cc(Br)c1O 2131261568 LVXFZBBWUHAPJZ-WFASDCNBSA-N 427.339 5.154 30 10 IKEE C=CCCCCCC[C@H](NC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2141912008 VGCUPMSUHSBGQM-IBGZPJMESA-N 425.411 6.583 30 10 IKEE CCN[C@H](CC#CC(C)(C)C)c1ccc(Br)cc1I 2142287697 NXWNRSSBLVVQHR-OAHLLOKOSA-N 434.159 5.144 30 10 IKEE N#Cc1ccc(NCc2ccc(I)c(Cl)c2)c(Br)c1 2143019270 VMCUKRWPYBSRBW-UHFFFAOYSA-N 447.501 5.191 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2c(F)cc(Br)cc2F)cc1 2170702369 BZHVPGAUTGKTHF-QGZVFWFLSA-N 437.284 6.042 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1c1ccc(C#N)cc1Br 2174813357 VFBNGYRSZBQCFF-RTBURBONSA-N 434.378 5.079 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCNC2(CCCC2)C1 2194582365 QDQPGJHOJUQOMH-NRFANRHFSA-N 434.378 5.149 30 10 IKEE C=C(c1ccccc1)[C@H](NCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2197140624 WGNGNLVQZVUNOI-FQEVSTJZSA-N 431.374 6.160 30 10 IKEE C#C[C@H](NC(=O)c1ccc(Br)c(NC(=O)OC(C)(C)C)c1)C1CCCCC1 2203792769 OCVVCAJWPXMEIX-KRWDZBQOSA-N 435.362 5.108 30 10 IKEE CCCCCCCC[C@H](C(N)=O)N(C(=O)OC(C)(C)C)c1ccccc1Br 2207470411 RPLWZRSFCCUYRK-GOSISDBHSA-N 441.410 5.795 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)[C@H](C(C)C)N(C)C(=O)OC(C)(C)C 2235734008 VTXRKEIVXDCFKZ-UXHICEINSA-N 437.422 5.060 30 10 IKEE Cc1cccc(NC(=O)CCCNC(=O)OCC2c3ccccc3-c3ccccc32)c1C#N 2243917505 TWULZOMVVUWPEP-UHFFFAOYSA-N 439.515 5.124 30 10 IKEE CC(C)(C)N(Cc1ccccc1)C(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2247843227 HPONHVDAZOIQTO-UHFFFAOYSA-N 427.781 5.080 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(F)c([C@@H](N)C#Cc2ccccc2Br)cc1F 2283423048 FEDCGHISEPIYEA-KRWDZBQOSA-N 437.284 5.126 30 10 IKEE CC(C)c1ccc([C@@H]2C(=C(O)c3ccc(Cl)cc3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1 2296132855 MZSMBVNVHXRFAN-RBBKRZOGSA-N 439.939 5.064 30 10 IKEE COc1c2c(cc3c1[C@@H](CC(C=C[C@H]1C(C)=CCCC1(C)C)=NO)N(C)CC3)OCO2 2297731147 SVSPODGIYWQUSW-VQTJNVASSA-N 426.557 5.112 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@H](C#N)C12CC(CCN1C(=O)OC(C)(C)C)C2 2302511320 WDSFVOCDOGBDAM-MZXKRHHESA-N 433.593 5.238 30 10 IKEE COc1ccc(C=C2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)C2=O)cc1OC 2313830396 IXKJEQQDDXKZRU-AIVPMWHISA-N 436.592 5.590 30 10 IKEE O=C(C=Cc1ccccc1OC(=O)c1ccccc1Cl)c1ccc(-c2ccccc2)cc1 2314429770 OHUZDVBMHGJXJP-UHFFFAOYSA-N 438.910 7.122 30 10 IKEE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2Oc3ccc(C)cc3C2=O)cc1F 2314519586 ULTXWCFXYLKXNG-UHFFFAOYSA-N 440.474 6.002 30 10 IKEE CC(=Cc1ccccc1)C=C1SC(=NN=Cc2ccccc2O)N(Cc2ccco2)C1=O 2314818383 DQGIMOIJYALVHJ-UHFFFAOYSA-N 443.528 5.438 30 10 IKEE COc1ccc(OC)c(C=Nn2c(SCc3ccccc3Cl)nnc2C2CC2)c1 2320858400 PQCNCKUQIOVKTK-UHFFFAOYSA-N 428.945 5.001 30 10 IKEE Oc1ccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CC2)c(O)c1 2320909285 IBJYYBYNAYLDSP-UHFFFAOYSA-N 435.336 5.048 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OCc4cc(C)ccc4C)c3C)C2=O)c1OC 2321758027 XBHVPCKDYGILHE-UHFFFAOYSA-N 430.500 5.824 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(ccc(OCc4ccc(Cl)cc4)c3C)C2=O)cc1 2321770827 GVMDGLPPHNDXJC-UHFFFAOYSA-N 447.962 6.690 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1cn(C)c4ccccc14)O3)CN(C1CCCCCC1)CO2 2322079679 NZZPXSDETIJVPF-UHFFFAOYSA-N 442.559 5.978 30 10 IKEE COc1ccccc1C=C1Oc2c(cc3c(c2C)OCN(Cc2ccccc2F)C3)C1=O 2322350369 PMMXYSMVMQTQHW-UHFFFAOYSA-N 431.463 5.111 30 10 IKEE CCOc1ccc(C=C2Oc3c(cc4c(c3C)OCN([C@H]3CCCC[C@@H]3C)C4)C2=O)cc1 2322391729 AIIPKHKDYSTFDI-SBUREZEXSA-N 433.548 5.741 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)N[C@H](C)c2ccccc2)cc1 2322456889 LDIHSWRXZDKQGU-GOSISDBHSA-N 449.934 5.501 30 10 IKEE COc1cccc(C=CC(=O)c2cccc(Cl)c2)c1OCC(=O)Nc1c(C)cccc1C 2322528040 BUEKFJXGIPTUGC-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE COc1c(Br)cc(Br)cc1C=CC(=O)c1ccc(F)c(C)c1 2322634469 JOGSOPYNYKTHBT-UHFFFAOYSA-N 428.095 5.564 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1c(OCc2cccc(F)c2)ccc2ccccc12 2323022421 GYBHENBXCGRUDG-UHFFFAOYSA-N 446.905 7.116 30 10 IKEE COc1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2OC)C3=O)cc1 2323423247 XKTDPBCMSOLQSS-UHFFFAOYSA-N 442.467 5.247 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)cc1 2323536635 SZQPOBWRIVYYMD-UHFFFAOYSA-N 441.571 6.560 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(F)c(C)c3)cc2OC)o1 2323985610 KOWHIURSLVLPKR-UHFFFAOYSA-N 438.451 5.388 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3c(CN4CCCC[C@H]4C)c(O)cc(C)c3C1=O)cn2C 2324010374 QVORPWOAQRVGKT-QGZVFWFLSA-N 446.547 5.192 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc3ccccc23)c(Cl)c1)c1cccc2ccccc12 2324129599 ILVGYVNACYCVHQ-UHFFFAOYSA-N 448.949 8.122 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(F)cc3)cc2Cl)c1C 2324184336 YAEAYJHVVZYULN-UHFFFAOYSA-N 437.898 6.010 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1)c1ccc(F)cc1 2324186136 IENRUVFHHRGHIT-UHFFFAOYSA-N 446.261 6.516 30 10 IKEE Cc1cc(O[C@H](C)C(=O)Nc2ccc(F)cc2)cc2c1C(=O)C(=CC=Cc1ccccc1)O2 2324324727 TVADAVFKXHNTEV-GOSISDBHSA-N 443.474 5.713 30 10 IKEE COc1ccccc1C=C1Oc2cc(O[C@@H](C)C(=O)Nc3ccccc3C)cc(C)c2C1=O 2324407175 MLIXONXYEFVFRQ-SFHVURJKSA-N 443.499 5.334 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(C=CC(=O)c3c(C)cc(C)cc3C)cc2)cc1 2324545732 ZJUHFWSOZPFFGZ-UHFFFAOYSA-N 427.544 6.088 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)ccc1OCc1ccc(C)cc1 2324585022 MTJPNRWRRDSUQF-UHFFFAOYSA-N 442.599 7.475 30 10 IKEE COc1ccccc1C=Nn1c(Cc2ccccc2)nnc1SCc1ccccc1Cl 2325490424 OJSDOVMJNYDTIX-UHFFFAOYSA-N 448.979 5.705 30 10 IKEE CCCOc1ccc(C=Nn2c(CC)nnc2SCc2cccc(F)c2)cc1OCC 2325589443 CGMMYEZQFQPIME-UHFFFAOYSA-N 442.560 5.342 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(C(C)C)cc1 2325603836 UDJMFMOIGYTODM-UHFFFAOYSA-N 433.408 6.445 30 10 IKEE CCCCOc1ccc(NC(=O)C(=O)C=Cc2ccc(OCCC)c(OCC)c2)cc1 2325649024 OJVNPUUBODQRLQ-UHFFFAOYSA-N 425.525 5.274 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3ccc(C)cc3C)c2)cc1OC 2325703519 ROUPPBQCZWDDGP-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE CCc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccc(C)cc2)C3=O)cc1 2325722815 DXVASASKIMCAMJ-UHFFFAOYSA-N 427.500 5.500 30 10 IKEE COc1ccccc1CC(=O)Oc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC 2325729066 XNAHIMBSHXDRLX-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OCC(=O)Nc4cccc(C)c4C)c3C)C2=O)c1 2325738294 MFFOSUCRVFRTRZ-UHFFFAOYSA-N 427.500 5.554 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)[C@H]3CCCO3)c2)cc1 2325751894 QZTJNWFBUVOPAK-AREMUKBSSA-N 436.548 6.016 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(Cl)cc3)c2)c2ccccc12 2325776569 AYUYTDIYVUBEAD-UHFFFAOYSA-N 442.898 6.617 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1sccc1C 2326091623 RXQHRDHZHIGYAR-UHFFFAOYSA-N 433.002 5.473 30 10 IKEE C=CCSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1c[nH]c2ccccc12 2326399194 YAUSUNOLNQFYFA-UHFFFAOYSA-N 445.592 5.548 30 10 IKEE CCCc1ccc(OCc2nnc(SC)n2N=Cc2ccc(Br)cc2)cc1 2327320476 KCBGPXIOHNGOHW-UHFFFAOYSA-N 445.386 5.176 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(Cc2cccc3ccccc23)nnc1SC 2327704755 MZIHGCQCGLBOIX-UHFFFAOYSA-N 438.556 5.788 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2cccn2C)cc1 2328563294 QMUVWEQUEGRDSS-UHFFFAOYSA-N 445.592 5.089 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3F)n2N=Cc2cccc(C)c2)cc1 2329278216 UPNWFSDYSIAMIM-UHFFFAOYSA-N 446.551 5.500 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2cccc(F)c2)n1N=Cc1cccs1 2329478126 IIETYOZMXLOMAG-UHFFFAOYSA-N 436.581 5.747 30 10 IKEE Fc1ccc(CSc2nnc(COc3ccccc3)n2N=Cc2ccccc2F)cc1 2329884046 JDYANLVCFMFPEA-UHFFFAOYSA-N 436.487 5.310 30 10 IKEE CCSc1nnc(CCc2ccccc2)n1N=Cc1cccc(OCc2ccccc2)c1 2330186284 DIARLBSVCKNJNE-UHFFFAOYSA-N 442.588 5.637 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc(F)c2)n1N=Cc1cccc2ccccc12 2330824727 ZLMZMNHBSLYFPS-UHFFFAOYSA-N 432.568 6.334 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccc(C)cc3C)cc2)cc1C 2330855695 DJAWFPVJSHOUHF-UHFFFAOYSA-N 430.500 5.501 30 10 IKEE Clc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CCCC2)cc1 2331093102 QEMADGRVCRSRLA-UHFFFAOYSA-N 431.392 6.417 30 10 IKEE O=C(CSc1ccccc1)Oc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1Cl 2331123115 FFQLSISWSKJHEL-UHFFFAOYSA-N 443.351 6.587 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)COCc3ccccc3)c(Cl)c2)ccc1F 2331336068 KNNSORAFCHQLMI-UHFFFAOYSA-N 438.882 5.806 30 10 IKEE CCCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccc(F)c(C)c2)cc1OC 2331344195 WYUIKWBGKJRGQW-UHFFFAOYSA-N 435.289 5.507 30 10 IKEE CCOc1ccc(C=Nn2c(CC(C)C)nnc2SCc2ccc(F)cc2)cc1OC 2331434624 GOUJLIUKVQBOCE-UHFFFAOYSA-N 442.560 5.198 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccnc2)c(Br)c1)c1ccc(F)cc1 2331523136 CGYWCWJSVAQXBM-UHFFFAOYSA-N 426.241 5.099 30 10 IKEE COCCOCC(=O)Oc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1Cl 2331646689 UWFSIXYHWCXIAN-UHFFFAOYSA-N 430.928 5.038 30 10 IKEE CCCc1nnc(SCc2ccccc2)n1N=Cc1cc(Br)ccc1F 2331649134 FUQFYQRHIGPBKB-UHFFFAOYSA-N 433.350 5.307 30 10 IKEE C=CCc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OC(=O)[C@@H]1CCCO1 2331656465 CTGCMWBIGITJCX-DEOSSOPVSA-N 448.559 5.638 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H](C)c3ccccc3)cc2)c(OCC)c1 2331733057 KYFXLDXXTJZXSW-HXUWFJFHSA-N 444.527 6.089 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cc(Cl)c(OC(=O)C2CC2)c(OC)c1 2331741197 IBKCJSQVXMDTHJ-UHFFFAOYSA-N 435.303 5.531 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)C(F)(F)F)c([N+](=O)[O-])c1 2331794857 YGAOUPJPVALORP-UHFFFAOYSA-N 435.398 5.565 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c3ccccc23)cc1 2331865902 JGQJKXBDQCZDSL-UHFFFAOYSA-N 444.571 7.401 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccs3)c(Cl)c2)c2ccccc12 2331866813 WJJCQDZTMCTPEM-UHFFFAOYSA-N 448.927 6.679 30 10 IKEE N#Cc1nc(Cc2cccc3ccccc23)oc1NN=Cc1cccc(Oc2ccccc2)c1 2331932802 XGACSMCVMDVGKM-UHFFFAOYSA-N 444.494 6.529 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1snnc1C1CCC1 2377296293 OOMKEIGXIMFRLS-OAHLLOKOSA-N 449.374 5.574 30 10 IKEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(CC)cc2)c1 3024725 BOCGOKXAXCBFIS-UHFFFAOYSA-N 438.524 5.022 30 10 IKEE C=CCN1C(=O)/C(=C/c2c(Cl)cccc2Cl)S/C1=N\c1ccc(C(=O)O)c(O)c1 16927305 XYEGEEBMALGSIY-PLISCHTNSA-N 449.315 5.187 30 10 IKEE CCc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(Cl)ccc2O)cc1 20881549 OKKLWSGHFNFHER-XRHLQHRESA-N 444.962 6.588 30 10 IKEE CCCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2OC)S/C1=N\c1cccc(C)c1 28721504 ZZUAWELTWPZCLM-COPMAWBXSA-N 445.972 5.027 30 10 IKEE O=C(/C=C\c1nc2ccccc2[nH]1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O 33246308 SBOKKVUBLNZTCT-SEYXRHQNSA-N 425.875 5.621 30 10 IKEE Cc1cccc(NC(=O)[C@@]23CC[C@@](C)(/C(=N/OC(=O)c4ccccc4Cl)C2)C3(C)C)c1 33960524 QGFDLXXZODYDLJ-OVZGRCFESA-N 438.955 6.016 30 10 IKEE COc1ccccc1/C=C/C(=O)c1ccc(OC(=O)c2ccccc2Br)cc1 34954828 GJTQOBPRXLPKPJ-NTCAYCPXSA-N 437.289 5.573 30 10 IKEE C=CCOc1cccc([C@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCCCC)c1 39910709 USFUXPYGCXDXLF-QHCPKHFHSA-N 431.532 5.710 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccccc2SCc2ccccc2)nnc1C1CC1 59911457 LZPIWGPZLOKOSO-UHFFFAOYSA-N 436.606 5.365 30 10 IKEE N#Cc1cccc(Cn2c(Cc3ccccc3)nc3sc(-c4ccccc4)cc3c2=O)c1 96533967 LRXOBYUIMPPTJX-UHFFFAOYSA-N 433.536 5.636 30 10 IKEE CCCCCCCCCC(=O)Nc1nnc(SCC(=O)c2cccc(OC)c2)s1 98021369 ZIYNLPMENTVWDI-UHFFFAOYSA-N 435.615 5.601 30 10 IKEE Cc1ccc([C@@H]2/C(=C(/O)c3ccco3)C(=O)C(=O)N2c2nc3c(C)cc(C)cc3s2)cc1 102488868 LKMVSRQHPNWMJA-DQVIVYRFSA-N 444.512 5.441 30 10 IKEE Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C\c3cc(Cl)ccc3O)cc2)cc1 103692338 WUFMTJSBUSOEBA-SDQBBNPISA-N 427.909 5.051 30 10 IKEE Cc1cccc(CN2c3ccccc3C(=O)/C(=C\Nc3ccc(Cl)cc3)S2(=O)=O)c1 104402113 SSJORECSOJUPQB-HYARGMPZSA-N 438.936 5.135 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2)S/C(=N\c2ccccc2)N1Cc1cccc(Cl)c1 105804134 NPFOFZARFDOCEY-RQBVCSNNSA-N 439.367 6.798 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 164018723 NVXKQJBKBJCCQL-MKMNVTDBSA-N 431.488 6.202 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2ccc(C)c(C)c2)cc1 169924032 VSJDDJFQJMRKJF-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE COc1ccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccc(C)cc2C)cc1 169925907 YYVKISUADLREPD-SANMLTNESA-N 441.527 5.414 30 10 IKEE CN(C)c1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2ccccc2)cc1 169953357 OWGNNCHEJLKGMA-AREMUKBSSA-N 448.522 5.689 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2cccc(C)c2)c1 169969658 JNZWXEKGGUYEPM-HSZRJFAPSA-N 447.918 5.830 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2ccccn2)cc1 169994412 VPKVUPFRTLCZOV-JOCHJYFZSA-N 432.907 5.389 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(C)cc2)c1 170036887 SUDAEVSUCADAQI-XMMPIXPASA-N 427.500 5.485 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2cccc3ccccc23)cc1 170045937 JCLUPMPDGSOSAM-DEOSSOPVSA-N 429.516 5.017 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccccc2)c1 170047365 WYRWVPLCYPXWGY-XMMPIXPASA-N 443.499 5.185 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccccc2F)cc1 170071494 LCKAKJHOYHVPKL-RUZDIDTESA-N 448.453 5.633 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2C2CCCC2)c1 170121501 WXFCSBZSJWDXBB-QHCPKHFHSA-N 435.520 5.003 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(O)cc1)c1ccc(Cl)c(Cl)c1 170132763 GGJDCBRRJCKYTI-HXUWFJFHSA-N 440.282 5.482 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(C(C)(C)C)cc1 170150098 JFWYEQVWMOKLJQ-XMMPIXPASA-N 431.576 5.851 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccccc1OC(C)C 170150845 QJSNYDYDJJGQMI-QHCPKHFHSA-N 433.504 5.598 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2cccs2)c1 170155449 LHKBDFOVESRGAF-IBGZPJMESA-N 443.883 5.332 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccs2)c1 170156721 DNCRFPLUCHJMSL-QRQCRPRQSA-N 431.513 5.163 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccs2)c1 170160337 GWNKHUOPGKWMNY-OAQYLSRUSA-N 431.469 5.291 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccncc2)c1C 170202993 WEBLCZQDXNFDKY-VWLOTQADSA-N 438.527 5.360 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@H]1c1cccc2ccccc12 170221151 KDCZVFXSVABYKD-JOCHJYFZSA-N 435.907 5.490 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C(C)(C)C)ccc3C)[C@H]2c2ccccc2)cc1 170227237 XIFPXOFOFONINU-RUZDIDTESA-N 439.555 6.384 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1 170236700 PZAWRUXOOFCHPZ-IBGZPJMESA-N 428.872 5.017 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccccc2F)c1 170248493 PAGHCUAKBSGGTP-HSZRJFAPSA-N 427.431 5.663 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1cccc(O)c1)c1cc2ccccc2o1 170258126 QGWDJPVDHRAEAX-JOCHJYFZSA-N 429.403 5.060 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2c2ccccc2O)o1 170301151 VTKOEXWJOYOSRA-HSZRJFAPSA-N 445.515 5.682 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(N3CCCC3)cc2)[C@@H]1c1ccc(F)cc1)c1ccccc1 170376052 FLXDKDMELRHJRO-XMMPIXPASA-N 442.490 5.209 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(Cl)cc(Cl)c2)c1 170388511 JHHUPQPMVIYBTK-IBGZPJMESA-N 444.339 6.146 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1ccc(N2CCCC2)cc1 170396248 DJDACYZNEUQPRO-VWLOTQADSA-N 438.527 5.378 30 10 IKEE C=CCSc1nnc2c(n1)O[C@H]([C@@H]1C[C@H]3C(=CCCC3(C)C)C[C@@H]1C)Nc1ccccc1-2 245226590 FFPWFNSTHNZZLR-YLTWVVNKSA-N 448.636 6.356 30 10 IKEE biogenic CCOc1ccc(N=C2S/C(=C/c3ccccc3)C(=O)N2c2ccc(OCC)cc2)cc1 252638119 XZNYWKZYTUABSV-ZNCAUEQNSA-N 444.556 6.293 30 10 IKEE Cc1cc2ccccc2c(N=Cc2cc(Br)cc(Br)c2O)c1C#N 254838885 NHWRJSZLHORWDI-UHFFFAOYSA-N 444.126 6.001 30 10 IKEE C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CCC2=NN=Cc1cccc(Cl)c1Cl 263630937 KAZZDRRNZVOQBJ-QDMVCWPOSA-N 441.402 7.030 30 10 IKEE CCCCCOc1ccc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526518278 XSTFGZHBIXZWLJ-DEOSSOPVSA-N 444.556 6.246 30 10 IKEE Cc1ccc(CSc2nncn2/N=C\c2cccc(OCc3ccc(Cl)cc3)c2)cc1 526803629 DUUMZPRXCLJBQM-VYYCAZPPSA-N 448.979 5.993 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1c(C)n(C)c2ccccc12 526809428 KUOVCRPUIISNKI-YSMPRRRNSA-N 431.609 5.822 30 10 IKEE CCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1cc(Cl)c(OC)c(Cl)c1 526812147 ZVSGWWWPGKIODQ-MYKKPKGFSA-N 449.407 5.947 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1ccc(OC)cc1 526814126 FZEPTXHXWOXZER-FMCGGJTJSA-N 435.380 5.721 30 10 IKEE CCCCCCCOc1ccccc1/C=N\n1cnnc1SCc1cccc(F)c1 526824505 GMZRHWXOSCELPS-QQXSKIMKSA-N 426.561 5.941 30 10 IKEE CCOc1cc(/C=N\n2c(CC)nnc2SCc2cccc(F)c2)cc(Cl)c1OC 526825010 FJDVDFJHKINXJD-MSXFZWOLSA-N 448.951 5.215 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)CCc3ccc(C)cc3)C2)c1 586001458 HUIPVCRPJLNQLF-RUZDIDTESA-N 447.623 5.186 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)c1 586006793 URJHRRWIJZZTKC-QHCPKHFHSA-N 444.579 5.040 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@H](C#N)c1cc(Br)ccc1Cl 698423682 IOLZKCJEOJWJEH-SFHVURJKSA-N 435.749 6.104 30 10 IKEE CCOC(=O)c1ccc(-c2ccc(/C=C3\SC(=Nc4ccc(F)cc4)NC3=O)o2)cc1 1084592653 IDJFCKIIJCZREU-MOSHPQCFSA-N 436.464 5.154 30 10 IKEE NC(=S)N/N=C\c1cn(-c2cccc3ccccc23)nc1-c1ccc(-c2ccccc2)cc1 1857807779 ZPFOECHEALLUKU-RHANQZHGSA-N 447.567 5.527 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 1861563158 QBGQJGRPWHOIIZ-ARHOYUFESA-N 428.661 6.149 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc(F)cc2)cc1 1862391273 XEAUXZLCHXFASW-MQVPCNEGSA-N 449.566 6.325 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(OC)cc2)cc1 1862392196 RNIOGJMAYCMKHT-RUZDIDTESA-N 447.575 5.949 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 1862397248 OUUJUTNQFQSSFD-KBMIEXCESA-N 447.619 6.704 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1cccc(F)c1)c1cccc(Cl)c1 1862444680 DQFNALODLSKJSG-JOCHJYFZSA-N 435.882 5.300 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2cccc(F)c2)cc1 1862445592 ZKXPGLXOJDFCHG-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1c(Cl)cccc1Cl 1862498356 GILHSRJZAVWMMP-FQEVSTJZSA-N 432.347 5.989 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(OC)c(OC)c1 1862539495 SVXTYIWJHLUFIO-QHCPKHFHSA-N 437.536 5.035 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862539952 CKHBNVNAGVNHSZ-KBMIEXCESA-N 449.591 6.195 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cccc2ccccc12 1862549561 RJADYHRINGAVGP-VWLOTQADSA-N 425.528 5.705 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862678799 RLWVXLHPNJDBIK-XMMPIXPASA-N 447.481 5.867 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)cc1 1862703528 WBWFZTGNEJOGPQ-CUHUQNRHSA-N 433.548 5.415 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(O)cc1 1862713721 UXQLANXHUFSQBT-LAMXGVLKSA-N 441.527 5.702 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc(F)c1 1862714602 DMOWLCNPYUMOJH-DEOSSOPVSA-N 431.507 6.138 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1cccc(Br)c1)c1ccc2ccccc2c1 1862722413 ZSPBVLHCOORJAI-OAQYLSRUSA-N 448.316 5.343 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccc(F)c1 1862723475 AOKDENVPHGINPD-VWLOTQADSA-N 443.518 6.117 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C(C)C)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1C 1862879558 UWYLOQNNRNOSRH-UHFFFAOYSA-N 435.527 5.695 30 10 IKEE N#Cc1ccccc1N1C(=O)C(Nc2cc(Cl)ccc2Cl)=C(c2cccs2)C1=O 1863119784 HAXZMLAQBCIPNI-UHFFFAOYSA-N 440.311 5.323 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(OC)cc2OC)=C(c2cccs2)C1=O 1863472390 AKKNSGHDPSEGNG-UHFFFAOYSA-N 442.581 5.318 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(F)c(C)c2)C(=O)N(CCCCCO)C1=O 1863794484 ZVMWANCLAFYDRD-UHFFFAOYSA-N 446.607 5.107 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1cc(C(=O)O)ccc1Cl 1866030001 TYICABLLHPMJMI-UHFFFAOYSA-N 438.052 8.238 30 10 IKEE CCCC[C@H](NC(=O)C[C@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866773459 AYBVPCWDYZLOLM-ZEQRLZLVSA-N 449.595 5.319 30 10 IKEE C=CCOc1cn(CCc2ccc(C)cc2)c(CSCc2nc3ccccc3[nH]2)cc1=O 1870244331 KJTFWLGTTCNXDM-UHFFFAOYSA-N 445.588 5.274 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCCOc2cccc(C)c2)cn1CCC(C)C 1870313820 KIPBYPMKCHKCSJ-UHFFFAOYSA-N 438.612 5.225 30 10 IKEE CCCCCCCCCCn1cc(OCCCCCCC)c(=O)cc1CN1CCCC1 1870412042 WTOQEDICUKFIPJ-UHFFFAOYSA-N 432.693 6.934 30 10 IKEE CCCCCCCCCCn1cc(OCC)c(=O)cc1CNc1ccc(C(C)C)cc1 1870785614 UGDNCMVTJYVPLA-UHFFFAOYSA-N 426.645 7.123 30 10 IKEE C=CCOc1cn(CCN(CC)CC)c(CNc2cc(C(C)C)cc(C(C)C)c2)cc1=O 1870811016 CCXKEKBMVGQOMM-UHFFFAOYSA-N 439.644 5.614 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccccc3F)CO4)C2=O)cc1 1871346827 ABPJUNVLKRNBQK-CFRMEGHHSA-N 431.463 5.193 30 10 IKEE COc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCc2ccc(C)cc2)C4)cc1 1871348007 KHRFSQCNPQLJCU-MYYYXRDXSA-N 441.527 5.323 30 10 IKEE Cc1cccc(CN2COc3ccc4c(c3C2)O/C(=C\c2c(F)cccc2Cl)C4=O)c1 1871348177 WKIJZZXPAJRVOW-KSEXSDGBSA-N 435.882 5.756 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc4c3CN([C@H]3CCCC[C@H]3C)CO4)C2=O)c1OC 1871350593 MBXIWYLIWLHYQS-WTNBHNMYSA-N 435.520 5.051 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OC(=O)c3ccc(OC(C)C)cc3)c2C)C1=O 1871387778 BAMWWSNMQLCGDX-IWIPYMOSSA-N 428.484 5.926 30 10 IKEE C[C@@H](Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O)C(=O)Nc1ccccc1C(F)(F)F 1871401626 IWVNYJNSAWRCML-RBFBNPFJSA-N 443.377 5.321 30 10 IKEE Cc1cc(OCC(=O)Nc2cccc(Cl)c2)cc2c1C(=O)/C(=C/c1cccc(F)c1)O2 1871454267 GDHVRYJIYFSUCX-FBHDLOMBSA-N 437.854 5.421 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(CC)cc1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872101165 YYXPQRUZAVQXPW-UUOWRZLLSA-N 442.625 5.096 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NS(=O)(=O)c1ccc(C)c(C)c1)[C@@H](C)CC 1872612380 CJXMYOAEDIJWMB-CVDCTZTESA-N 438.678 5.253 30 10 IKEE CC(=O)Oc1ccc(C(=O)[C@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 1872787998 UZSNJDNQKBFIRA-INIZCTEOSA-N 431.300 5.532 30 10 IKEE CCCCCCCCNC(=O)c1ccc(COc2ccc(C)cc2Br)cc1 1872861882 KXPJJDRHJWPCPM-UHFFFAOYSA-N 432.402 6.427 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(C(C)(C)C)cc2)=C(c2ccc(-n3cccc3)cc2)C1=O 1873203387 NEZMLJJKQMHKBJ-UHFFFAOYSA-N 425.532 5.153 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)cc2C)cc2c(NCCCOCCCC)ncnc21 1873608406 ZXGLJLYUQUHALL-UHFFFAOYSA-N 435.572 5.105 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)c(C)c2)cc2c(N(CCC)CCCC)ncnc21 1873659680 ZCHCDYZXXJVMDR-UHFFFAOYSA-N 439.991 5.848 30 10 IKEE CCCCCCCCCCNC(=O)COc1cc(C)cc2oc(=O)cc(CCCC)c12 1873936727 PGOXZEWMEQCYKV-UHFFFAOYSA-N 429.601 6.080 30 10 IKEE CSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1cn(C)c2ccccc12 1874212266 DTLCHLKCPSHCPG-ZVHZXABRSA-N 439.972 5.039 30 10 IKEE CCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1cn(C)c2ccccc12 1874230218 YEGSXAWLRADTDV-WYMPLXKRSA-N 439.972 5.305 30 10 IKEE Oc1ccccc1/C=N/n1c(CCc2ccc(Cl)cc2)nnc1SCc1ccccc1 1874283073 NZFYNXSSCUUVIB-WGOQTCKBSA-N 448.979 5.597 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccccc3Cl)n2/N=C/c2ccccc2F)c1 1874366178 ONHNTFJTGOWURT-VULFUBBASA-N 436.943 6.221 30 10 IKEE Oc1cccc(/C=N/n2c(CCc3cccs3)nnc2SCc2ccc(F)cc2)c1 1874368889 XTWUEOOPSZGFGJ-ZVHZXABRSA-N 438.553 5.144 30 10 IKEE Fc1cccc(/C=N/n2c(Cc3ccccc3F)nnc2SCCc2ccccc2)c1 1874376075 DGXZZTOIIODFRN-WPWMEQJKSA-N 434.515 5.364 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2cccc(Cl)c2)cc1 1874389077 GZRYQVVAGVOLJZ-WGOQTCKBSA-N 432.980 6.005 30 10 IKEE Fc1ccccc1CSc1nnc(Cc2cccs2)n1/N=C/c1cccc(Cl)c1 1874412650 UDWWQODLANNTQI-ZMOGYAJESA-N 442.972 5.897 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2cccc3ccccc23)nnc1-c1cccs1 1874424095 ULHOWBWRULKMTI-WGOQTCKBSA-N 440.597 6.643 30 10 IKEE Cc1cccc(CSc2nnc(CC(C)(C)C)n2/N=C/c2cccc3ccccc23)c1 1874437735 QANFENACSIODQH-WPWMEQJKSA-N 428.605 6.503 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2[C@@H]2CCCO2)cc1 1874445815 LSBXDXBDHTZFAW-BOJFNEGLSA-N 436.581 5.135 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2cccc3ccccc23)nnc1[C@H]1CCCO1 1874450026 RQACLNYWXQJRSX-VUEBRRCKSA-N 444.560 5.466 30 10 IKEE Clc1ccc(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2ccccc2Cl)cc1 1874450980 OZBFJWQJFLZDDC-KCDOPAPYSA-N 433.364 5.611 30 10 IKEE Cc1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2ccc(Cl)cc2Cl)cc1 1874451609 HNBQZCUIONHMLS-DHRITJCHSA-N 445.419 6.725 30 10 IKEE Clc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CCCC2)cc1 1874456597 XZGPMVIHUZFNOH-JVWAILMASA-N 447.007 6.917 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C(F)(F)F)cc1 1874462102 MFSZIPNFPQDUFY-PGGKNCGUSA-N 445.297 6.087 30 10 IKEE COc1cc(/C=N/n2c(SCc3ccccc3Cl)nnc2C(C)(C)C)ccc1O 1874484161 IMFWMUMNQYVUEZ-FSJBWODESA-N 430.961 5.118 30 10 IKEE CCCSc1nnc(C(C)(C)C)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1874485336 PIVCRWDGQLMGKM-MFKUBSTISA-N 443.016 6.192 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2ccccc2C)c(C)c1 1874498528 MWHIXWHUXVBYAZ-AFUMVMLFSA-N 433.581 5.084 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2ccc(C(C)C)cc2)c1C 1874517866 OQASQIMCTWQHDT-VULFUBBASA-N 447.608 5.509 30 10 IKEE Clc1ccc(/C=N/n2cnnc2SCc2ccc(Cl)c(Cl)c2)c(Cl)c1 1874540223 JCTQHSSAEFFSSG-QPJQQBGISA-N 432.163 6.066 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1ccccc1F)c1ccc(Cl)cc1Cl 1874573219 BLLZTTHDZPAXFQ-WEVVVXLNSA-N 435.709 7.261 30 10 IKEE CCCNC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1cc(C)cc(C)c1OC 1874585969 OXMQAXZXMQDGDW-VAWYXSNFSA-N 431.532 5.266 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OCC(=O)Nc1ccccc1F 1874595324 FPLFSLBCBKKDHP-PKNBQFBNSA-N 439.870 5.401 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)c(C)c1 1874600136 VLUVHBZDMIDQCE-ZRDIBKRKSA-N 427.544 6.142 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1F 1874614066 BRTHPIMDEZHXMJ-WUXMJOGZSA-N 439.870 5.401 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 1874614339 MBRSVYGXYZFAFZ-XCVCLJGOSA-N 447.745 7.131 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3ccc(C)cc3C(C)(C)C)c2)cc1 1874702101 RYXYXAGZWMGYSE-NTCAYCPXSA-N 442.555 6.481 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCCOc3ccccc3Cl)c2)cc1 1874702352 YMCYOFVOEKZVFV-DTQAZKPQSA-N 434.919 6.309 30 10 IKEE COc1cccc(C(=O)Oc2cc(/C=C/C(=O)c3cc(C)c(OC)cc3C)ccc2OC)c1 1874718410 YENDRJXJMJCTEO-PKNBQFBNSA-N 446.499 5.445 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)ccc1OC(=O)c1ccccc1OC 1875101020 MYVRUBUTWAKLOC-WYMLVPIESA-N 432.472 5.218 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)cc3)cc2[N+](=O)[O-])cc1 1875114390 RLAFZSBHLJRIOJ-MKMNVTDBSA-N 431.444 5.281 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(OC)c1OC(=O)c1ccccc1C 1875115139 OHIRKMFVIMOUAU-LFIBNONCSA-N 442.511 5.856 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2c(F)cccc2Cl)c([N+](=O)[O-])c1)c1ccccc1 1875126959 IDSMFQYXYVMNSP-PKNBQFBNSA-N 425.799 5.503 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)cc3)c(OCC)c2)cc1 1875138681 UHTVVAGXDFNTIW-LZYBPNLTSA-N 444.527 6.298 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)Cc1cc(C)ccc1C 1875156804 JFDLPVMNWNOIND-RIYZIHGNSA-N 442.555 6.480 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)cc2)cc1 1875168792 UOTZEFDPQSPCBS-OVCLIPMQSA-N 442.511 5.961 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(-c4ccccc4)cc3)cc2)c(C)c1 1875182547 IVMJSWOEIUHDFS-WOJGMQOQSA-N 446.546 7.394 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)COc3cccc(C)c3C)cc2)cc1C 1875186802 KULMMYXUPVFIOA-SDNWHVSQSA-N 444.527 5.809 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3nc(-c4ccccc4)cs3)cc21 1890845453 WSOZFDKGQGJQJB-UHFFFAOYSA-N 433.533 5.000 30 10 IKEE BrC#CCNCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1895212314 PDHCXPVYDUAJQK-UHFFFAOYSA-N 436.349 5.290 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CCC[C@H](C)C1 1922075884 AIVKYBLWHBITCC-CHZKFRDHSA-N 430.633 5.601 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1cc(OC)ccc1NC(=O)OC(C)(C)C 1922107019 ISDVSQJAEZZZBB-QHCPKHFHSA-N 426.557 5.466 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C 1922107149 JSNSNVKFMMMGER-LOSJGSFVSA-N 436.596 5.100 30 10 IKEE CCCCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC)C(=O)O 1927425810 CHAQFHRNYZYWIL-KBMIEXCESA-N 437.580 6.365 30 10 IKEE C=C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(C)C)[C@@H](CC(C)C)C(=O)O 1927537861 BFWIEMQBKFUIJS-RPLLCQBOSA-N 435.564 5.853 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CCC[C@]2(C#N)N(C(=O)OC(C)(C)C)C2CCCC2)C1 1944457962 JNUOCVHMJKYAPH-RGZWJVDOSA-N 433.593 5.095 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCC2)C12CCCC2 2024623871 KCCLOWCCMSMUCR-DEOSSOPVSA-N 433.593 5.382 30 10 IKEE C=CCCCCCCCC[C@@H](CCN(Cc1ccccc1)C(=O)OC(C)(C)C)NCC 2026309241 CHJIIAWXLVKRTQ-VWLOTQADSA-N 430.677 7.099 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(Cc2ccccc2)[C@@H](C)C1 2037526903 LDNMMLRGXVVZRK-RXFWQSSRSA-N 435.568 5.384 30 10 IKEE C=CCN(CC[C@H](NCC)c1ccc(Br)c(Cl)c1)C(=O)OC(C)(C)C 2041564687 XPGHYLOFSZHPHJ-KRWDZBQOSA-N 431.802 5.566 30 10 IKEE N#C[C@H]1CCCC[C@@H]1NCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071263972 BUKDMIVOQQAYAU-FTJBHMTQSA-N 426.560 6.017 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Cl)cc1Br 2077810932 WLBLAJLCCLUIBG-IRXDYDNUSA-N 429.786 5.060 30 10 IKEE CC(C)c1nn([C@@H](c2ccc(C(F)(F)F)c(F)c2)C(C)(C)C)c(Br)c1C#N 2079971091 BQFVHRFPPLGVRK-INIZCTEOSA-N 446.286 6.434 30 10 IKEE CCc1nn([C@@H](c2c(C)cc(C)cc2C)C(C)(C)C)c(I)c1C#N 2079976779 CNDIRRMYNZTMKQ-SFHVURJKSA-N 435.353 5.483 30 10 IKEE CCCOc1ccc([C@@H](n2nc(C(F)(F)F)c(C#N)c2Br)C2(C)CC2)cc1 2080077583 GXHGEZZGIBCDRJ-MRXNPFEDSA-N 442.279 5.714 30 10 IKEE CC1(C)OB(C=C2CCN(Cc3cccc(Cl)c3Br)CC2)OC1(C)C 2107459580 WKWGIPPZNJEXEY-UHFFFAOYSA-N 426.591 5.256 30 10 IKEE CCOc1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)[C@@H](C)CC)cc(Br)c1O 2131261566 LVXFZBBWUHAPJZ-SWLSCSKDSA-N 427.339 5.154 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCCC[C@@]12CCNC2 2156246802 FIKCUQIMPMOLQI-LEWJYISDSA-N 434.378 5.007 30 10 IKEE CCC[C@@]1(CNc2cccc(Br)c2C#N)CCCCN1C(=O)OC(C)(C)C 2162411289 UUMJORWVYHCFKU-NRFANRHFSA-N 436.394 5.693 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@]2(CNc3cccc(Br)c3C#N)CCC[C@@H]12 2165304206 NIQZKOTYSPFERS-NQIIRXRSSA-N 434.378 5.302 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@]2(CNc3cc(Br)ccc3C#N)CCC[C@H]12 2165309373 WEEWIKAKHIAQSX-RXVVDRJESA-N 434.378 5.302 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2ccc(C#N)cc2Br)c1F 2181135496 QQYHNXSZDSKPPS-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(Nc2ccc(Br)cc2)CC12CCCC2 2194587163 WWKHRBZKNKDJEI-HXUWFJFHSA-N 434.378 5.467 30 10 IKEE C=CCC[C@H](C)[C@H](NC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229109242 HOOPUPGBJHZBBP-IPELMVKDSA-N 425.411 5.075 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Br)cc1CC 2229242848 CUEHQZCCALZXJK-RBUKOAKNSA-N 425.411 5.522 30 10 IKEE CCCCCCCO[C@@](C)(C(=O)O)c1cc(Br)c(Br)s1 2281195186 NHZSLDKHJOXNBB-CQSZACIVSA-N 428.186 5.560 30 10 IKEE COc1cc(CNC(=O)OC(C)(C)C)ccc1Nc1c(Br)cccc1C#N 2285238500 TWSCFKCKLHFERM-UHFFFAOYSA-N 432.318 5.098 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@@H]3C[C@H](OCc4ccccc4)C[C@@H]32)c1 2310843314 AIPUTIOSGREJRR-HZMCFHPPSA-N 432.564 6.014 30 10 IKEE C=CCN1C(=O)C(=Cc2cc(Cl)ccc2OCc2cccc(Cl)c2)SC1=S 2313653027 FUSBUHHALLARAV-UHFFFAOYSA-N 436.385 5.960 30 10 IKEE CC[C@@]1(C)N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1C 2315231908 QETOPUMCNKYMFM-JWQCQUIFSA-N 443.588 5.808 30 10 IKEE O=C(C=Cc1cc(Br)ccc1OCc1cccc(F)c1)c1cccc(Cl)c1 2322521640 HLFOASFCBGCNRD-UHFFFAOYSA-N 445.715 6.717 30 10 IKEE O=C(COc1ccccc1C=CC(=O)c1ccc(Cl)c(Cl)c1)Nc1nccs1 2322580356 NRNUICIABPNRES-UHFFFAOYSA-N 433.316 5.364 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2ccccc2OCc2cccc(Cl)c2)cc1Cl 2322969291 QYTORLULIAUZAN-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2OC(F)F)C3=O)cc1 2323060727 UXMGGNHXZJBZFF-UHFFFAOYSA-N 448.421 5.831 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1OCC(=O)Nc1c(C)cccc1C 2323118380 LKDVZQMGILVUSD-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OCc1ccc(Cl)cc1Cl 2323138728 KZIIMBLLAMBPAX-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE CC(C)COc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2F)C3=O)c1 2323579677 IOPPTRRUUJBTFP-UHFFFAOYSA-N 432.447 5.696 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3F)cc2)cc1 2323921423 KIACZUVTSHKVGM-UHFFFAOYSA-N 433.479 5.528 30 10 IKEE Cc1c(OCCOc2ccccc2)ccc2c1OC(=Cc1ccc(Cl)cc1Cl)C2=O 2324220770 JUJRGHJOUVTPBV-UHFFFAOYSA-N 441.310 6.376 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccccc4Cl)ccc3C2=O)cc1 2324388934 LGGZCKKDSGQCNV-MRXNPFEDSA-N 433.891 5.671 30 10 IKEE COc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1C)OC(=Cc1ccc(C)cc1)C2=O 2324473964 MTGYJSICHKOVFG-SFHVURJKSA-N 443.499 5.334 30 10 IKEE COc1ccc(C)cc1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccc(C)cc1)C2=O 2325119146 JGFZORXYSNWNCE-UHFFFAOYSA-N 443.499 5.254 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4nc5ccccc5s4)c3C)C2=O)o1 2325592632 QKNXEGVYYARTCH-UHFFFAOYSA-N 446.484 5.140 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)cc1 2325719674 NMHQRDQCVUYSIE-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1OC(=O)c1ccc(Cl)cc1 2325727262 PXDDHZWKJWWSTD-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3c(C)ccc(C)c3C)c2)cc1C 2325760433 SKWMCKTWAKAMIK-UHFFFAOYSA-N 428.528 6.109 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)CCOc2ccccc2)c1 2325782481 VIRBJXLIGYULIR-UHFFFAOYSA-N 436.891 5.619 30 10 IKEE CCSc1nnc(CCc2ccc(OC)c(OC)c2)n1N=Cc1ccc(C(C)C)cc1 2326186059 WONFTZGGZPSEEP-UHFFFAOYSA-N 438.597 5.198 30 10 IKEE CCSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1ccccc1Cl 2326380076 ARVNKFCIRPKHGH-UHFFFAOYSA-N 428.989 5.554 30 10 IKEE CSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(Br)cc1 2327702669 ZRMYQUUHGVHEQY-UHFFFAOYSA-N 437.366 5.389 30 10 IKEE CCCSc1nnc(CCc2ccccc2Cl)n1N=Cc1cc(Cl)ccc1O 2327976934 XFLSPTSYXURBPD-UHFFFAOYSA-N 435.380 5.460 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2N=Cc2ccc(N(C)C)cc2)CC1 2328179831 AFJNDFOEHJPRMJ-UHFFFAOYSA-N 427.662 6.192 30 10 IKEE Cc1ccccc1CSc1nnc(CCOc2ccccc2)n1N=Cc1sccc1C 2329157051 HZOUQGLTIFYBIP-UHFFFAOYSA-N 448.617 5.752 30 10 IKEE C=CCSc1nnc([C@H](C)c2ccccc2)n1N=Cc1ccc(OC(C)C)c(OC)c1 2330117960 JIAVMYOGVSXXSK-GOSISDBHSA-N 436.581 5.386 30 10 IKEE Cc1ccccc1CSc1nnc(CC2CCCCC2)n1N=Cc1ccccc1Cl 2330232666 PMBBICBZNGFKFP-UHFFFAOYSA-N 439.028 6.537 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2[N+](=O)[O-])cc1C 2330632430 QBHRHVNBVFWEAC-UHFFFAOYSA-N 446.415 5.235 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3Cl)c(Cl)c2)c1 2330778225 FBEUQGMLGGNAFW-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE CCOc1cc(C=Nn2c(CC(C)(C)C)nnc2SCc2cccc(C)c2)ccc1O 2330824066 WGWDGDZJFDDLTI-UHFFFAOYSA-N 438.597 5.454 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)cc2)cc1C 2330855631 NNJJXHWITXGICU-DHIUTWEWSA-N 446.930 6.262 30 10 IKEE C=CCSc1nnc(CC(C)(C)C)n1N=Cc1ccc(OCc2ccccc2C)cc1 2330855654 SVMJRNACAINISX-UHFFFAOYSA-N 434.609 5.914 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COCc3ccccc3)c(Cl)c2)cc1 2330961482 CACNOOMFVYRXCG-UHFFFAOYSA-N 436.891 5.367 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)cc2)cc1[N+](=O)[O-] 2330971274 NLCXYAFRDNVMFO-UHFFFAOYSA-N 439.508 6.156 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)cc2)c(C)c1 2331216000 NLXBZAJGAJELGM-JOCHJYFZSA-N 442.555 6.696 30 10 IKEE CCc1ccc(C=Nn2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2C(C)(C)C)cc1 2331362669 LNSVGLKPZCMFHQ-UHFFFAOYSA-N 449.624 5.368 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H](C)c3ccccc3)c(OC)c2)cc1F 2331467671 SSJUZONGVYYCSR-QGZVFWFLSA-N 434.463 5.448 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(F)c3)cc2Cl)c1 2331557486 AXDMVIKTCLJMJK-UHFFFAOYSA-N 442.845 6.132 30 10 IKEE COc1ccccc1C=Nn1c(SCc2ccc(Cl)c(Cl)c2)nnc1C(C)C 2331708489 RAYQLDWFBIWNEO-UHFFFAOYSA-N 435.380 5.891 30 10 IKEE CCN[C@H](C#C[C@@H]1CC1(C)C)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2339567634 PPXYPVWLJTUCNC-KAYWLYCHSA-N 439.599 6.545 30 10 IKEE C=CCCCCCCCCC[C@@H](N)c1sc(Cl)cc1I 2366643465 XBLLHMYHMOEMKZ-CQSZACIVSA-N 425.807 6.703 30 10 IKEE Cc1cc(CN(C)[C@@H]2CC(C)(C)[C@H]2OCc2ccccc2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369738418 IUFZALWKVWVNLD-RPBOFIJWSA-N 449.444 5.110 30 10 IKEE Cc1cc(Br)c(Oc2c(N)ccc(F)c2C#N)cc1NC(=O)OC(C)(C)C 2370342326 UCUZFQIRSZQTIT-UHFFFAOYSA-N 436.281 5.490 30 10 IKEE C=CCC1([C@@H](O)c2c(C)c(C)c(Br)c(C)c2C)CN(C(=O)OC(C)(C)C)C1 2372264742 IUCUTDZTRSXGKN-IBGZPJMESA-N 438.406 5.529 30 10 IKEE Cc1cccc2c1N(c1cc(Br)ccc1C#N)CCN2C(=O)OC(C)(C)C 2381007615 JIFCTJYKUJHBQD-UHFFFAOYSA-N 428.330 5.522 30 10 IKEE Cc1n[nH]c(C)c1Sc1ccccc1/N=C/c1cc(Cl)cc(Br)c1O 1203654 DRYWKCKCWHVDNX-ZVBGSRNCSA-N 436.762 6.050 30 10 IKEE O=c1c2c(-c3ccccc3)csc2ncn1/N=C/C(Br)=C/c1ccccc1 3259870 IKSKHQSYTSVFNT-BZMRUVPWSA-N 436.334 5.395 30 10 IKEE CCCCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccccc2C)C2=C1CC(C)(C)CC2=O 4562816 AZLMWOPPVMGINQ-UHFFFAOYSA-N 433.636 6.871 30 10 IKEE C=CCOc1ccccc1NC(=O)c1ccc(OCCCCCC)c(Br)c1 9815941 ZXUITRVUVNPTHM-UHFFFAOYSA-N 432.358 6.225 30 10 IKEE O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccc(Cl)cc1)n1nc(C(F)(F)F)nc1N2 19642175 SYPRGDQBLJQHEV-LIRRHRJNSA-N 444.844 5.366 30 10 IKEE CC(C)COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(C(C)C)cc2)cc1 21223186 BLNFPKSVWBIGNL-ISKFKSNPSA-N 431.576 5.849 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(Cl)c(Cl)c2)C3)cc1 21226843 FHSQMYYMKIYIOU-SJLPKXTDSA-N 444.358 5.787 30 10 IKEE Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc3ccccc23)cc1 21247002 ASTQYGCKYIQITM-RCRUUEGKSA-N 430.551 7.128 30 10 IKEE CCCCOc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(OCC)cc1)C2 21253480 QRFGYEPVKGWHDT-UGKGYDQZSA-N 433.548 5.269 30 10 IKEE Cc1ccc(C(=O)[C@@H]2[C@H](c3ccc(F)cc3)C(C#N)(C#N)[C@H]3c4ccccc4C=CN23)cc1 21946993 AYHFYRCMZUUNLD-OHSXHVKISA-N 433.486 5.544 30 10 IKEE Cc1ccc(/N=C2/NC(=O)S/C2=C\c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 33567625 IIPMKSJCSZGFRT-ODLFYWEKSA-N 429.328 7.089 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O)c1ccccc1Br 33812407 IXDRRWJGWBHDIU-JAIQZWGSSA-N 439.236 5.424 30 10 IKEE O=C(/C=C/c1ccccc1F)c1ccc(OC(=O)N(c2ccccc2)c2ccccc2)cc1 34954850 GGINCLUOZXRIDO-LVZFUZTISA-N 437.470 7.059 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1Cl)C2=O)c1ccc(Cl)cc1 35550251 UVLMZCACANFZSB-GRSHGNNSSA-N 445.685 6.482 30 10 IKEE CCOc1ccc(/C=C2\S/C(=N/c3nnc(C)s3)N(C3CCCCC3)C2=O)cc1 39866570 QHYDOJCAMOPBHD-VJGKAAADSA-N 428.583 5.182 30 10 IKEE O=C1/C(=C/c2ccc(-c3ccccc3)cc2)Oc2c1ccc1c2CN(Cc2ccccc2)CO1 41660908 XKMBRWRHZFQGKB-QRQIAZFYSA-N 445.518 6.322 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)CNc1ccc(Cl)cc1Cl 100056827 FJGNHGAQBCSVMB-UHFFFAOYSA-N 443.503 8.003 30 10 IKEE CCCCCCCOc1ccc(NC(=O)CNc2cc(Cl)c(Cl)cc2Cl)cc1 100067924 PTSIVDNUAYWEGZ-UHFFFAOYSA-N 443.802 7.047 30 10 IKEE CCCCCCCn1c([C@H](C)NC(=O)c2ccc(Br)cc2)nc2ccccc21 102221169 PAOCFLBVWMKKRK-KRWDZBQOSA-N 442.401 6.260 30 10 IKEE CC(=O)c1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 102904800 MCFRKMOPESMPQG-VFJWVMJUSA-N 431.875 5.169 30 10 IKEE CCCCCCCCC[C@H](NCCC)c1cc(Br)sc1Br 115856857 OXAPVYNKVAOXED-HNNXBMFYSA-N 439.301 7.455 30 10 IKEE CN1C(=S)N[C@H](c2cccc(OCc3c(Cl)cccc3Cl)c2)C2=C1CCCC2=O 169936844 LKILIGOGQFANSB-OAQYLSRUSA-N 447.387 5.441 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(O)cc2)c(C)c1 169962951 UZCJZOVNZGREDE-XMMPIXPASA-N 439.467 5.538 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@@H]1c1cccs1 169987148 FWYXBEJGLWHNPC-QFIPXVFZSA-N 437.948 5.812 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2ccccc2)=C(N2C[C@@H](C)O[C@H](C)C2)C1=O 170041304 AJHMNQJLXMQOCN-NHCUHLMSSA-N 426.601 5.016 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(F)cc2)c1 170063524 ZYNVQOVXEYDUDJ-QHCPKHFHSA-N 426.447 5.097 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(O)cc1)c1ccc2c(c1)CCCC2 170131617 MKYARKBZKSLZQY-XMMPIXPASA-N 443.474 5.193 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@H]1c1cccc(OC(C)C)c1 170153631 PVKAYDHWODHLQU-HSZRJFAPSA-N 437.536 5.169 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@H]1c1cccs1 170165830 NLPPWIDFGYYYFA-GOSISDBHSA-N 433.957 5.487 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2cccnc2)c1 170187386 DZOONKJXBADJID-RUZDIDTESA-N 438.527 5.360 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccncc1 170209457 AGEUHEVJSNCTAI-HSZRJFAPSA-N 432.564 5.599 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1ccccc1F 170249866 FYRITTJQRBFKNY-JOCHJYFZSA-N 435.426 5.065 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccccc1C 170276149 LWZKGQDAEZSTPO-XMMPIXPASA-N 448.607 5.131 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@H]2c2ccco2)s1 170287443 BIYZJIYOVVCVHG-FQEVSTJZSA-N 430.485 5.289 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccco2)cc1Cl 170290804 YYANHVGTWOBNJH-IBGZPJMESA-N 445.805 5.003 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccco2)ccc1Cl 170293163 ABEZYTGLYHCSLV-FQEVSTJZSA-N 429.900 5.243 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1Cc1ccco1 170316315 UQIZELBMQQGAMU-NRFANRHFSA-N 429.497 5.581 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cc(C)ccc2C)cc1 170453334 RFCKKVHGNXBNDF-HSZRJFAPSA-N 434.580 5.665 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2cccc(Cl)c2C)ccc1O 170464226 YCOQRBJQUIWURK-JOCHJYFZSA-N 443.927 5.268 30 10 IKEE COc1cc(/C=C\C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1OCC#N 207735134 TUDNCZGLZZROBE-HYXAFXHYSA-N 444.331 5.287 30 10 IKEE COc1ccc([N+](=O)[O-])cc1Nc1nc(SC)nc(-c2cccc(Cl)c2)c1C#N 242906865 GQYKEWDSKSCVOL-UHFFFAOYSA-N 427.873 5.051 30 10 IKEE COc1ccc(N=C2S/C(=C\c3c(C)[nH]c4ccccc34)C(=O)N2C2CCCCC2)cc1 252638326 YBGYWIGKLVPOKY-VYYDMKJGSA-N 445.588 6.422 30 10 IKEE C=CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccc2ccccc2c1 253565612 HYGJCZQGNREOJR-UHFFFAOYSA-N 428.561 5.632 30 10 IKEE CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC(=NO)[C@H]4CC(=NO)CC[C@]4(C)[C@@H]3CC[C@@]12C 254287177 MXIKNOBYVNLDDR-YZCVPHBJSA-N 430.677 7.378 30 10 IKEE O=C1[C@H](Cc2ccc(Br)cc2)SC(=Nc2ccccc2)N1c1ccccc1 254287194 NUZCHUGEGNDZAV-FQEVSTJZSA-N 437.362 5.828 30 10 IKEE COC(=O)c1ccc(/C=C2/SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)cc1 254498123 LFLBGIVGVULLMZ-SBECIKHMSA-N 428.513 5.277 30 10 IKEE SC[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cc(Br)ccc1Br 394521623 QEFHXNRFGFVFMA-WMLDXEAASA-N 441.232 5.357 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(Cl)cccc1Br 407160040 MTHDHRSZRYREQV-DOTOQJQBSA-N 431.802 5.613 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccc(C)c2)cc1Cl 526489727 BYGJJCDUARCMCH-XMMPIXPASA-N 444.918 5.976 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccccn2)c1 526516135 LHTFFMMNTQXWDD-XMMPIXPASA-N 425.488 5.189 30 10 IKEE Cc1ccc(NC2=C(Sc3ccccc3)C(=O)N(c3ccccc3C#N)C2=O)c(C)c1 526636745 CZROYFXIJGRAMA-UHFFFAOYSA-N 425.513 5.164 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(Cl)ccc2C)c1 526773540 SIZGQAGYHGCPHE-QHCPKHFHSA-N 447.918 5.830 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1/N=C\c1ccc(OCC)c(Cl)c1 526800163 OIMJQPPJBXPTSE-IWIPYMOSSA-N 428.989 5.847 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1ccccc1OCCC 526802098 BUYIUSOMPOHSPX-XYGWBWBKSA-N 426.561 5.723 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccc(Br)cc1 526807280 RSRLEQWQIWZMDS-UUYOSTAYSA-N 449.805 5.821 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1cccc(OCC(C)C)c1 526809653 QAOGGIZCZFWVLY-YSMPRRRNSA-N 436.625 6.057 30 10 IKEE CCOc1ccc2ccccc2c1/C=N\n1c(C)nnc1SCc1cccc(Cl)c1 526811796 TXEFWYABCLWGJN-QFEZKATASA-N 436.968 5.966 30 10 IKEE COc1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 586241817 TXGZNKYYNAXDFG-UHFFFAOYSA-N 447.343 5.269 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H](Nc3ccc(Br)cc3C#N)C(C)(C)[C@@H]21 693664775 ASXKFVMPXOQIOW-KBAYOESNSA-N 434.378 5.157 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@@](C)(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 698378358 VDOASGPMOLWTPA-YADARESESA-N 429.561 5.105 30 10 IKEE CC(C)CN1CCC(C#N)(N(C(=O)OC(C)(C)C)c2cccc(Br)c2)CC1 698498460 SZMBYZGDNSDICO-UHFFFAOYSA-N 436.394 5.205 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@](C)(C#N)c1cc(Br)ccc1F 698873404 JQFSYLQENNZAHF-OAQYLSRUSA-N 439.369 6.287 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 698927086 BIIUITPEBUHXDU-VWLOTQADSA-N 434.580 6.790 30 10 IKEE O=C(CSc1n[nH]c(NN=Cc2cccc(Oc3ccccc3)c2)n1)c1ccccc1 1084606664 LOHMCJVJLCBPIK-UHFFFAOYSA-N 429.505 5.018 30 10 IKEE COc1ccc(C(CSc2nc3ccccc3[nH]2)=NNc2cccc([N+](=O)[O-])c2)cc1 1084631762 CHPCIUODPLFHNO-UHFFFAOYSA-N 433.493 5.088 30 10 IKEE Cc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 1088687230 HEIQFVSHJJSTBS-RNJGGXIZSA-N 439.367 7.110 30 10 IKEE C=CC(C)(C)CCNC(=O)[C@@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 1131401147 TYPGRZVHTZFHET-OAHLLOKOSA-N 441.622 5.404 30 10 IKEE Fc1c(F)c(F)c(NN=Cc2ccc(-c3ccc(Br)cc3)o2)c(F)c1F 1565518905 OZDSIHCEQOSVJS-UHFFFAOYSA-N 431.158 5.851 30 10 IKEE O=C1/C(=C\c2ccc(Cl)cc2)S/C(=N/c2ccccc2)N1[C@H]1CCCc2ccccc21 1615181303 TWKSTXVZGLYRBY-QSGXXBPASA-N 444.987 7.022 30 10 IKEE O=C1/C(=C/c2ccc(Br)cc2)SC(=Nc2cccnc2)N1C1CCCCC1 1772730434 CGSICEASRCZEJH-YNUQAMOLSA-N 442.382 5.781 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2)SC(=NN=Cc2ccc(F)cc2)N1Cc1ccco1 1772757826 LILHSSWAMSKYEZ-FIRUFQLUSA-N 439.899 5.579 30 10 IKEE C[C@@H]1CCCC[C@H]1NC(=O)Oc1cccc2c(NC(=O)c3cccc(C#N)c3)cccc12 1858944927 WKIBWHDYSPKOPA-VGOFRKELSA-N 427.504 5.631 30 10 IKEE N#Cc1cnn(-c2ccccc2)c1NC(=O)c1ccc2oc(-c3ccc(Cl)cc3)nc2c1 1859744280 ZRQMLMWXBLCGEE-UHFFFAOYSA-N 439.862 5.458 30 10 IKEE CCCCCCCCCOc1cccc(NC(=O)Cc2ccc(Br)cc2)c1 1860129035 XNPNUZGKPALWNA-UHFFFAOYSA-N 432.402 6.760 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(F)cc1 1862401929 MZOWYKDBHKSONM-QFIPXVFZSA-N 425.500 5.301 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc3ccccc23)cc1C 1862405472 QIQUKSPRMDOGDE-RUZDIDTESA-N 441.527 5.678 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(F)cc1 1862413404 BPOVGFCHAKGBGL-XFPJRNFQSA-N 429.438 5.261 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccccc1F)c1ccccc1Cl 1862430705 PWFYXWCLGJKEDM-OAQYLSRUSA-N 427.903 5.780 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccc(C(C)C)cc2)cc1 1862476940 GQLJMPKINQZVCG-SANMLTNESA-N 443.587 6.587 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1 1862477655 ZLPYTCFWSAVFJO-ZJSXRUAMSA-N 435.564 5.941 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccc(C(=O)O)cc2)cc1 1862479004 WHDSPOABDHCOES-GAJHUEQPSA-N 441.483 5.033 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862487108 SOVRZFMJJXNJTF-RUZDIDTESA-N 431.576 6.303 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccccc2Br)c1 1862496316 HKMJKUHWRWXQCK-FQEVSTJZSA-N 442.353 5.300 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc(Cl)cc2Cl)ccc1F 1862509067 WKXMDNKXZHTWFI-LJQANCHMSA-N 436.310 5.675 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccccc1C(=O)O 1862535421 ZEBWSSDSDRBOOM-JOCHJYFZSA-N 435.520 5.106 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc2cc[nH]c2c1 1862561267 RSPNYMDEMAUBNJ-VOIUYBSRSA-N 437.499 5.090 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1 1862580788 RSXOZNHTZDPFHB-XWRIVVANSA-N 444.358 6.150 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CC(C)C)c1 1862581341 FGHXGLACYLTPBS-LJQANCHMSA-N 434.319 5.236 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2ccc(C(C)C)cc2)c1 1862595420 MESDRYVOEKUFMY-VWLOTQADSA-N 441.527 5.603 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C2CCCCCC2)cc1 1862626835 GRCNXGFZNBHPQG-XMMPIXPASA-N 447.531 5.279 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc(O)cc1)c1cccc2ccccc12 1862650213 PYIPJFDVNZHPNE-SANMLTNESA-N 449.506 5.366 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(C(C)C)cc1 1862664998 WDMRKBZEYOTACM-RUZDIDTESA-N 449.591 5.938 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@H]1c1cccc(Cl)c1)c1ccc(F)cc1 1862675955 XLXJEILRWRFNBA-QHCPKHFHSA-N 449.909 5.690 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccccc2)cc1 1862699592 WPUVCBMQZWNONC-CJAUYULYSA-N 441.527 5.597 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2Cc2ccccn2)cc1 1862715000 JQZXKTMESXUFNP-AREMUKBSSA-N 448.522 5.576 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2CC(C)C)c1 1862724758 SNKRXLZSJMRDTK-RUZDIDTESA-N 441.527 5.597 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cccc4ccccc34)C2=O)cc1C 1862874866 QHQWKBPCJKLSSB-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE CCCCc1ccc(NC2=C(c3ccc(C)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862897655 ZHSVYAIKVGMEQV-UHFFFAOYSA-N 435.527 5.606 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2cccc3ccccc23)C1=O 1863226495 YLKNRCNHDFPTPY-HOYKHHGWSA-N 435.527 5.482 30 10 IKEE C=CCN1C(=O)C(Nc2cccc(N(CCC)CCC)c2)=C(c2ccc(C)c(C)c2)C1=O 1863258254 OKIFJICHPNRBCL-UHFFFAOYSA-N 431.580 5.308 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cccc(F)c2)=C(c2ccccc2F)C1=O 1863287971 GSSXPSLHKGKHHI-UHFFFAOYSA-N 440.534 6.298 30 10 IKEE CC(C)[C@H]1c2[nH]cnc2CCN1c1cc(Nc2cccc(C#N)c2)nc(-c2ccccc2)n1 1868354563 GPYFTVGSNPMDHN-VWLOTQADSA-N 435.535 5.242 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N2CCc3ccccc3C2)nn1-c1ccccc1 1870068713 MSONSFJPKMYBQP-UHFFFAOYSA-N 431.584 5.519 30 10 IKEE CCCCCCCOc1cn(CCC2=CCCCC2)c(CSc2nccn2C)cc1=O 1870259887 NPUBNUKZXCOFAZ-UHFFFAOYSA-N 443.657 6.114 30 10 IKEE C=CCOc1cn(C[C@@H]2CCCO2)c(CNc2ccc(OCCCCCC)cc2)cc1=O 1870810413 BKFDJNSABMVCID-DEOSSOPVSA-N 440.584 5.163 30 10 IKEE CCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CNc1ccc(C(C)C)cc1 1871058996 RFQMRQXUQGMWLA-UHFFFAOYSA-N 438.656 7.289 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4cccc([N+](=O)[O-])c4)c3C)C2=O)cc1 1871373669 CRFHLMLCVHWHFA-XKZIYDEJSA-N 445.427 5.137 30 10 IKEE COc1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2sccc2C)C3=O)cc1 1871376948 MUTATEVSDTURQB-LVKJFYNQSA-N 432.497 5.609 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4cccc([N+](=O)[O-])c4)ccc3C2=O)cc1 1871377486 NFQPSKNCSAPVEE-ZLWWARENSA-N 441.439 5.392 30 10 IKEE O=C1/C(=C/c2c(Cl)cccc2Cl)Oc2c1ccc(O)c2CN1CCCC[C@H]1CCO 1871396173 SQQPGKUXWMZGHK-HKMXWPIPSA-N 448.346 5.052 30 10 IKEE CCCCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 1871400119 IXQFIKYNTMYTDN-XYGWBWBKSA-N 428.484 5.692 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871407140 MUXRTNFRBDCUEP-PDESAOGPSA-N 429.472 5.026 30 10 IKEE Cc1c(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2)ccc2c1O/C(=C\c1cccs1)C2=O 1871414001 HVUHXKPKXSXXND-GQFJFNLSSA-N 439.920 5.732 30 10 IKEE Cc1c(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2)ccc2c1O/C(=C\c1ccccc1)C2=O 1871415181 VKIQYRVRPYRUFO-VOMLJKFNSA-N 433.891 5.671 30 10 IKEE N#Cc1ccc(COc2ccc3c(=O)c(Oc4ccccc4Br)coc3c2)cc1 1871417319 IEXZYBCEWMUWFU-UHFFFAOYSA-N 448.272 5.798 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OC(c3ccccc3)c3ccccc3)c2C)C1=O 1871431252 LITTVNBHNQQDKR-DIBXZPPDSA-N 432.519 7.088 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)c1C 1871459217 LSKVBTXGQUWDNS-KNXZYVGWSA-N 425.484 5.493 30 10 IKEE C=CCN(CC=C)c1nc(=NCCc2ccc(C)cc2)nc(Nc2ccc(Cl)cc2C)[nH]1 1871569208 KDPAEXQKQJZSIX-UHFFFAOYSA-N 449.002 5.140 30 10 IKEE C=CCN([C@H](CCC)C(=O)Nc1ccc(Nc2ccccc2)cc1)S(=O)(=O)CCCC 1872146756 WARXYEAQAHEYPG-HSZRJFAPSA-N 443.613 5.155 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cc(Cl)ccc1C)[C@H](C)CC)S(=O)(=O)c1ccccc1 1872471686 HTUHGNMXBXIDKD-VGOFRKELSA-N 449.016 5.269 30 10 IKEE CCCc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 1872762190 FXTRPEIMWBUVGE-GOSISDBHSA-N 445.371 6.325 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(Cl)c(C)c3)n2)cc1 1872770481 VTJYFMUOPFZHBU-LJQANCHMSA-N 440.952 5.816 30 10 IKEE CC(C)c1ccc(-c2csc([C@H](C#N)C(=O)C(c3ccccc3)c3ccccc3)n2)cc1 1872774784 BQVSTBOMALXNRF-XMMPIXPASA-N 436.580 6.942 30 10 IKEE CCc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1 1872777408 MZVMMOMZFQDNJU-HXUWFJFHSA-N 429.545 5.889 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@@H](C#N)C(=O)CCCOc2c(C)cccc2C)n1 1872780427 IBXILFKPDNJWHG-NRFANRHFSA-N 448.588 6.088 30 10 IKEE CCOc1ccc(CC(=O)[C@H](C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1 1872785927 WXHZOFCWTVMRIB-QFIPXVFZSA-N 432.589 6.234 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)c2ccc(OC(C)=O)cc2)n1 1872786020 BXJHGDROGQARRY-GOSISDBHSA-N 440.908 5.196 30 10 IKEE CC(C)c1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 1872788259 YMJBBABOVULUJT-GSXXRBPTSA-N 441.383 7.130 30 10 IKEE N#C[C@@H](C(=O)Cc1cc(Cl)ccc1Cl)c1nc(-c2ccc(Cl)s2)cs1 1872789267 CGUUWGMKWMSMHT-NSHDSACASA-N 427.765 6.251 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@H]2CCCC[C@@H]2C)=C(c2ccc(F)cc2)C1=O 1873137280 COMYSSROGDGWOG-REWPJTCUSA-N 442.619 6.215 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(OC(C)C)c2)=C(c2cccs2)C1=O 1873404890 ADERCVYWSBESHF-UHFFFAOYSA-N 440.609 6.088 30 10 IKEE Sc1nnc(Cc2cccs2)n1/N=C/c1cccc(OCc2ccccc2Cl)c1 1873505025 XPWJOCQTCUHBME-YDZHTSKRSA-N 440.981 5.334 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1cc(C)cc(C)c1)n2CC(C)C 1873621245 MMTQETUULWKOTB-UHFFFAOYSA-N 449.643 6.729 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1 1873936726 PFCRERPDOCYVGJ-QGZVFWFLSA-N 428.495 5.195 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1/N=C/c1ccncc1 1874195020 RTLZFVWGWVUXNY-WPWMEQJKSA-N 449.624 5.533 30 10 IKEE C=CCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc(OCC)cc1 1874232504 NBYFIKNYVXSBIW-ZXVVBBHZSA-N 442.588 5.776 30 10 IKEE C=C(C)CSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1ccc(CC)cc1 1874261418 HGCCIWYBUKDIES-BRJLIKDPSA-N 428.508 5.248 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2)n1/N=C/c1ccc(OCCC)cc1 1874317789 KXKFQHLMRRSQJI-NCELDCMTSA-N 436.581 5.239 30 10 IKEE CCCSc1nnc(CCOc2ccccc2)n1/N=C/c1ccc(Br)cc1 1874346817 IEJQCKDNKUWQPN-PXLXIMEGSA-N 445.386 5.046 30 10 IKEE C=C(C)CSc1nnc(Cc2cccs2)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874412593 QTJSRIJOPWAPGZ-YDZHTSKRSA-N 442.610 5.277 30 10 IKEE CSc1nnc(C2CCC2)n1/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1874492094 ZAIOYLYHERMZIB-WYMPLXKRSA-N 447.391 6.036 30 10 IKEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2C2CCC2)cc1 1874494386 ZENFXVKLUYYHKG-AFUMVMLFSA-N 433.581 5.084 30 10 IKEE COC(=O)c1ccc(COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(OC)cc2)o1 1874575734 DTSDFTHMPMFIPN-BJMVGYQFSA-N 426.852 5.203 30 10 IKEE CCCN(CCC)C(=O)COc1c(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)cc1OC 1874579236 CXEDJURWILMYGR-VAWYXSNFSA-N 443.971 5.581 30 10 IKEE O=C(/C=C/c1c(OCc2cccc3ccccc23)ccc2ccccc12)c1ccc(F)cc1 1874584133 XXRHLWSSAKCXMV-ISLYRVAYSA-N 432.494 7.607 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)c1OCCCO 1874586779 DYQVIWJJRZHWDQ-SNAWJCMRSA-N 445.726 5.321 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OCCC)c2Br)cc1 1874595963 JRXIQDCOKGDIAI-XYOKQWHBSA-N 433.342 5.931 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(OC)c1OCC(=O)NCCC 1874625121 NEDHFDYDXVDSPK-NTEUORMPSA-N 435.564 5.348 30 10 IKEE CCCCCCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1C 1874689691 YNOZDKDVWIUOOY-RUZDIDTESA-N 433.596 5.893 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)C23CC4CC(CC(C4)C2)C3)c1)c1ccc2c(c1)CCCC2 1874693694 RLJSDJHHWQIEFO-DHZHZOJOSA-N 440.583 6.583 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OC(=O)c1ccc2c(c1)OCO2 1874696688 BRJPKHPQYRQLGD-RMKNXTFCSA-N 436.847 5.193 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(F)cc2F)c1)c1ccc(Br)cc1 1874697426 XNVCMZNQPFCUIH-NYYWCZLTSA-N 443.243 5.843 30 10 IKEE Cn1c(C(=O)Oc2cccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)c2)cc2ccccc21 1874698432 WHSIBEIDJJFVGU-NTEUORMPSA-N 426.428 5.202 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cccc(OC(=O)Cc2ccc(Cl)c(Cl)c2)c1 1874698935 VPTYVGCNQWWBOH-ZRDIBKRKSA-N 441.310 6.046 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2ccc(C)cc2C)cc1OC(=O)C(C)(C)C 1874702242 LSZLFHPHGBSGSD-CSKARUKUSA-N 445.353 5.922 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2ccc(F)cc2)cc1OC(=O)C(C)(C)C 1874710025 PDTLMJWMUBULLS-JXMROGBWSA-N 435.289 5.444 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1OC(=O)c1ccc(F)cc1 1874710989 OVZCNQSFNAKQAJ-VZUCSPMQSA-N 434.463 5.575 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc4nc(C)c(C)nc4c3)cc2)cc1 1875100118 OQHJWNNMSVSSSY-CXUHLZMHSA-N 436.511 5.924 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(OC)c(OC(=O)c2ccc(C)cc2)c(OC)c1 1875117945 KLSSBYCZSDEKEM-SDNWHVSQSA-N 432.472 5.136 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3F)cc2Cl)c1 1875120830 MISMJZZGFJWKIA-XVNBXDOJSA-N 426.846 6.350 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2cc(OC)ccc2OC)cc1OCC 1875144578 HYDXLILBZNGTFX-CSKARUKUSA-N 432.900 5.358 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OC(=O)C1CCC1 1875150945 MSNIUGGHSAVUNE-SOFGYWHQSA-N 428.868 5.069 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2ccc(Cl)cc2)cc1 1875192174 XJQFGHDLDINDFL-WUXMJOGZSA-N 441.310 6.046 30 10 IKEE C=C(C)[C@@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@@H](O)CC[C@@]34C)[C@H]12 1903846747 MQYXUWHLBZFQQO-ZWPFISNSSA-N 426.729 8.025 30 10 IKEE CCCCCCCCCCC[C@@H](N)c1sc(Br)cc1Br 1922929817 LXXNUPDPVMCKQV-CQSZACIVSA-N 425.274 7.194 30 10 IKEE C=C(Cl)C[C@@H](NC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2016751873 JNSWRXHMWBNVBN-ZEQKJWHPSA-N 437.967 5.609 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2016841580 JTEYLBQCWPAJOO-VUMVONDWSA-N 433.593 5.238 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)NCCC 2025158179 FTQBAQMRZHOYHZ-XWGVYQGASA-N 430.633 5.601 30 10 IKEE C[C@H]1CN(C(=O)C=Cc2ccc(Cl)c([N+](=O)[O-])c2)C(=Nc2ccc(Cl)cc2)S1 2053513856 XXQXWDQLDZONDF-LBPRGKRZSA-N 436.320 5.566 30 10 IKEE Cc1ccc([C@@H](C2CCC2)n2nc(C3CC3)c(C#N)c2I)cc1F 2079101663 FVOGMUAAPLTMCS-GOSISDBHSA-N 435.284 5.074 30 10 IKEE CC(C)(C)c1nn(Cc2c(F)cccc2C(F)(F)F)c(Br)c1C(F)(F)F 2079834726 PUKHKMQFNHVHAR-UHFFFAOYSA-N 447.192 6.168 30 10 IKEE CC(C)c1nn([C@@H](c2ccc(C(F)(F)F)cc2)C(C)(C)C)c(Br)c1C=NO 2079848543 JIWUKIKVPYGLMZ-INIZCTEOSA-N 446.311 6.231 30 10 IKEE CCOc1ccc(C(F)(F)F)cc1-c1cc(Cl)n2nc(C3CCCCC3)c(C#N)c2n1 2081414223 DKIMNMDQWSFNSY-UHFFFAOYSA-N 448.876 6.387 30 10 IKEE CCC[C@@]1(C)CSC(=Nc2ccc(Cl)c(I)c2Cl)N1 2093948564 OAVSDUGDTBLORQ-ZDUSSCGKSA-N 429.154 5.481 30 10 IKEE C=CCC[C@@H](C)[C@H](NCCC)c1ccc(I)c(Br)c1 2102109701 AUJZSCIFMYDVQX-WBMJQRKESA-N 436.175 5.697 30 10 IKEE CC1(C)OB(C2=CCN(Cc3ccc(Cl)c(Br)c3F)CC2)OC1(C)C 2110460372 DCHQFNGYZGVMFG-UHFFFAOYSA-N 430.554 5.005 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1cc(Br)cc(C(F)(F)F)c1 2115771709 LZHSTJMYDKTVGG-IBGZPJMESA-N 428.292 5.892 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(C#N)cc2Br)C[C@@H]1C1CCC1 2194111407 JWXLDZWCJZKYEL-VQIMIIECSA-N 434.378 5.301 30 10 IKEE C#CC[C@H](C[C@@H](NCC)c1ccc(I)c(Br)c1)C1CC1 2196854281 MTTSQBPJRXMOOG-CXAGYDPISA-N 446.170 5.144 30 10 IKEE Cc1ccc(Nc2cc(Br)c(C#N)cc2F)c(I)c1 2231950852 YMIGCEXPUBGRIW-UHFFFAOYSA-N 431.046 5.117 30 10 IKEE CC(C)(C)OC(=O)N[C@@](C)(C1CCCCC1)[C@H](O)C#Cc1ccc(Br)cc1 2296271713 FZKZOXOBARSEHD-KNQAVFIVSA-N 436.390 5.025 30 10 IKEE CC1(C)OB([C@]2(C)CCN(C(=O)c3cscc3OCc3ccccc3)C2)OC1(C)C 2303111642 LEYNTSJBTCDHKR-HSZRJFAPSA-N 427.375 5.026 30 10 IKEE CCOc1cc(C=C2C(=O)ON=C2c2ccccc2)ccc1OCc1ccccc1Cl 2313540598 JJMUFOIFNSRFEB-UHFFFAOYSA-N 433.891 5.662 30 10 IKEE O=C(C=Cc1ccc(Cl)cc1Cl)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2314429786 ORTGVJSMTILHSW-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE CN(C)c1ccc(C=C2SC(=Nc3cccnc3Cl)N(C3CCCCC3)C2=O)cc1 2314540847 ZYLXOQDIHRAKDB-UHFFFAOYSA-N 441.000 5.738 30 10 IKEE C=CCN(C[C@H](NCC)c1cc(Cl)cc(Br)c1F)C(=O)OC(C)(C)C 2315455468 IIFQYRKGCFSJSY-HNNXBMFYSA-N 435.765 5.315 30 10 IKEE O=[N+]([O-])c1cccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CC2)c1 2320909281 GHSCVDGNGWZQQY-UHFFFAOYSA-N 448.335 5.545 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc2nccnc2c1 2321796539 GZSWYKGAAGUQMC-UHFFFAOYSA-N 440.935 5.141 30 10 IKEE COc1cccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3cccc(Cl)c3)C4)C2=O)c1 2322426689 BFBLFHPEJYEGMH-UHFFFAOYSA-N 447.918 5.625 30 10 IKEE C[C@@H]1c2ccc(C#N)n2CCN1C(=O)C=Cc1ccc(OCc2ccccc2Cl)cc1 2322732878 HZIHSCILOBBGFB-GOSISDBHSA-N 431.923 5.209 30 10 IKEE CCOc1c(Br)cc(Br)cc1C=CC(=O)c1ccc(F)cc1 2322748116 CDXBXRFZFHUDAA-UHFFFAOYSA-N 428.095 5.646 30 10 IKEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1ccc(F)cc1)Nc1ccccc1F 2322748672 RSBYKPRILFSVLJ-UHFFFAOYSA-N 427.834 5.532 30 10 IKEE CCCOc1c(C=CC(=O)c2cc(Cl)c(OC)cc2OC)cc(Cl)cc1OC 2322884333 JIOLBHPJZSVDFQ-UHFFFAOYSA-N 425.308 5.704 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1OCc1ccc(C)cc1 2323073161 KGSZZFXJUFNMKA-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3ccccc3C)c2)cc1 2323134627 CUTRKANOLVGHAE-UHFFFAOYSA-N 445.515 5.316 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2Br)C3=O)cc1C 2323247383 QNQLOLPTANMBRW-UHFFFAOYSA-N 449.300 5.901 30 10 IKEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C12CCCC2 2323473403 KMURBUBAEGVSLR-SANMLTNESA-N 442.600 5.232 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(OC)c1OCc1ccccc1F 2323602952 YFTXTVDLVULLHF-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OCc1ccc([N+](=O)[O-])cc1 2323743296 KVWQTTXUYYQISR-UHFFFAOYSA-N 425.387 5.357 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OCCC)c(OCCC)c2)cc(OC)c1OCC 2323752130 BOFLDONFQJVAKZ-UHFFFAOYSA-N 438.564 6.296 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(CC)cc2)C3=O)c1 2323839463 RMCBEDDVFKGIQU-UHFFFAOYSA-N 442.511 6.182 30 10 IKEE O=C(CCc1cccs1)Oc1ccc2c(c1)OC(=Cc1c(Cl)cccc1Cl)C2=O 2323972031 BSYWFGLIEOVDBZ-UHFFFAOYSA-N 445.323 6.209 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OCc1ccccc1 2324066893 KHXSSSVPQIUXDQ-UHFFFAOYSA-N 448.990 7.511 30 10 IKEE Cc1ccccc1COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1Br 2324162733 VFZRVFWRKZNPKE-UHFFFAOYSA-N 449.388 7.356 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(OC)c1OCc1ccc(C)cc1 2324261475 RJUMGGYCHUNFAR-UHFFFAOYSA-N 434.482 6.485 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCc3cccc4ccccc34)c([N+](=O)[O-])c2)cc1C 2324451163 INHUTZVJCNDMJB-UHFFFAOYSA-N 437.495 6.840 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4cccc(C)c4C)ccc3C2=O)cc1 2324498621 UCTWLJLPQVGBAM-IBGZPJMESA-N 427.500 5.634 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)ccc1OCc1ccccc1F 2324540229 BREPVLFZEGYGEM-UHFFFAOYSA-N 440.898 6.280 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OCc1ccc(C)cc1 2324561379 VUZBOCWCVJZJPD-UHFFFAOYSA-N 448.990 7.447 30 10 IKEE COc1ccc(OC)c(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(C(C)(C)C)cc3)n2)c1 2324583938 VGIXRDXQAHICBE-NRFANRHFSA-N 446.572 6.014 30 10 IKEE CC(C)c1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccccc2F)C3=O)cc1 2325318120 JYKKFEQRFMPYBR-UHFFFAOYSA-N 431.463 5.583 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2cccs2)C3=O)cc1 2325614068 CXLVDRVRTCBADW-MRXNPFEDSA-N 433.529 5.895 30 10 IKEE COc1ccccc1C=C1Oc2cc(OCC(=O)Nc3cc(C)cc(C)c3)cc(C)c2C1=O 2325721677 UJOOSWYGKMMJJI-UHFFFAOYSA-N 443.499 5.254 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2cccc([N+](=O)[O-])c2)c1)c1ccc(Cl)c(Cl)c1 2325737397 IZGPGNYABNWPDE-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)Oc1cccc(C=CC(=O)c2ccc(C)cc2)c1 2325738478 QLMOGOWKMLWPGV-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)C3CCCC3)c2)cc1 2325752040 VXHPBZBORTXAHX-UHFFFAOYSA-N 434.576 7.028 30 10 IKEE CCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1ccccc1OC(C)C 2326991967 VTCQLLOYPVMBRC-UHFFFAOYSA-N 438.597 5.380 30 10 IKEE CCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1c(Cl)cccc1Cl 2327266068 DBPHZXSWFAGFDL-UHFFFAOYSA-N 449.407 6.083 30 10 IKEE CCCSc1nnc(COc2cc(F)ccc2F)n1N=Cc1cn(C)c2ccccc12 2327482182 DAYGWHODMUEDTK-UHFFFAOYSA-N 441.507 5.011 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccccc1 2328551116 BLSDDVJSLVKZPL-UHFFFAOYSA-N 446.551 5.788 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(Cl)cc3)n2N=Cc2cccs2)cc1 2329068746 IHVBAYKEAPAIGG-UHFFFAOYSA-N 439.009 6.067 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2ccccc2C)nnc1-c1ccccc1Cl 2329539063 RQTPOKUFANPTAL-UHFFFAOYSA-N 432.980 6.390 30 10 IKEE Cc1ccc(C)c(CSc2nnc(COc3ccccc3)n2N=Cc2cccnc2)c1 2329919006 WULWRVLKOWVBGW-UHFFFAOYSA-N 429.549 5.043 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2cccc(Cl)c2)n1N=Cc1cccs1 2330135894 IPGXVPUDDJQOSG-MRXNPFEDSA-N 439.009 6.319 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(OCC)c(OC(=O)CC)c([N+](=O)[O-])c2)cc1 2330840365 IRLHYWWTXMGKHC-UHFFFAOYSA-N 425.481 5.548 30 10 IKEE O=C(CC12CC3CC(CC(C3)C1)C2)Oc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2331018468 XNUUPUQPZRLMJG-UHFFFAOYSA-N 445.515 6.003 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@H]2C[C@H]2c2ccccc2Cl)c(Cl)c1)c1ccccc1 2331167794 WRCJVNQWCUMUII-PMACEKPBSA-N 437.322 6.599 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc([N+](=O)[O-])c1OC(=O)Cc1cccs1 2331174263 BDAUCGFBENBXHY-UHFFFAOYSA-N 437.473 5.099 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1ccccc1F 2331292797 IUNGVBUGWJOUHV-UHFFFAOYSA-N 430.475 5.987 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)Cc1ccccc1Cl 2331329805 JGIQHDDXXJJTFQ-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c([N+](=O)[O-])c2)cc1C 2331707084 GSZXEDJOTPRZPI-UHFFFAOYSA-N 446.415 5.235 30 10 IKEE Cc1ccsc1C=Nn1c(SCc2ccc(Cl)cc2Cl)nnc1C(C)C 2331708792 ZLZTXUJASSQTPV-UHFFFAOYSA-N 425.410 6.253 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)C(F)(F)F 2331863746 ZGVFQVPJUYDFDA-UHFFFAOYSA-N 433.209 5.756 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1snnc1C1CC1 2336542892 CKTNYIJHRNSYBC-AWEZNQCLSA-N 435.347 5.184 30 10 IKEE CCCCCCCCCCC[C@@H](N)c1sc(Cl)cc1I 2363915700 NDTTUHQOQUWZGD-CQSZACIVSA-N 427.823 6.927 30 10 IKEE C=CC/N=c1\scc(-c2ccc(Br)cc2)n1/N=C/c1c[nH]c2ccccc12 13137259 DLZIVJLXJOMBMB-XQAYSHMRSA-N 437.366 5.429 30 10 IKEE Cc1ccc([C@@H]2C3=C(C[C@H](c4ccc(Cl)cc4)CC3=O)Nc3nc4ccccc4n32)cc1 19630848 KCMFTPKDKRHZFW-AFMDSPMNSA-N 439.946 6.414 30 10 IKEE CCOc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2OC)C3)c1 21227094 PUTVSNDZGHFSFM-WHLCRQNOSA-N 440.543 6.073 30 10 IKEE COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cc(Cl)ccc1O 21227725 STDVKKGRSJIZSJ-HAWMADMCSA-N 446.934 6.034 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(F)cc2)cc1 21255309 GKJYKKBNEZBCQD-PPHZAIPVSA-N 428.507 6.204 30 10 IKEE COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2OC)C3)ccc1O 21259610 OQEUMQVTJFAVEE-XGCWNURASA-N 442.515 5.389 30 10 IKEE CCCn1cc(CN/C(=N/C(=O)c2cccc(Cl)c2)Nc2cc(C)ccc2C)c(C)n1 32972867 DKKAUQWBYNBETQ-UHFFFAOYSA-N 437.975 5.270 30 10 IKEE CCCCCCOc1ccc(/C=C\C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC 33377336 LERXWLIUWBKEHR-OWBHPGMISA-N 438.593 6.118 30 10 IKEE O=C(/C=C/c1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1 34954353 TZNLXKDESOGCSM-GONBZBRSSA-N 433.301 5.964 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1cccc(OCC)c1 40079452 RKANTZVDHJIKJM-QHCPKHFHSA-N 437.536 5.251 30 10 IKEE C=CCc1ccccc1OCCn1c([C@@H](C)NC(=O)C2CCCCC2)nc2ccccc21 40188186 NSXYOJDKGWBONE-HXUWFJFHSA-N 431.580 5.601 30 10 IKEE C=C(C)C(=O)NCCCCCc1nc2ccccc2n1CCOc1ccc(C(C)C)cc1 40219789 SKANFIPHHKISCW-UHFFFAOYSA-N 433.596 5.644 30 10 IKEE Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1Nc1ncnc(Cl)c1[N+](=O)[O-] 40571145 LMYPTPROONVBIL-CQSZACIVSA-N 448.697 6.053 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OC/C=C/c4ccccc4)c3C)C2=O)c(OC)c1 41436217 IRZFOUWEKZQULJ-QFUIXIOLSA-N 428.484 5.721 30 10 IKEE Cc1c(Cl)cccc1N/C(=N\C(=O)c1ccc(F)cc1)NCCc1c[nH]c2ccccc12 85581324 NMXMIARACFPANC-UHFFFAOYSA-N 448.929 5.709 30 10 IKEE C=CCOC(=O)c1sc(NC(=O)c2ccc(Cl)c(Cl)c2)c(C(=O)OCC)c1C 96507253 ZFXDFZIDGAOCCA-UHFFFAOYSA-N 442.320 5.135 30 10 IKEE CCCCCCCOc1ccc(NCC(=O)Nc2cccc(NC(=O)C(C)(C)C)c2)cc1 100077732 CZUWSQOAUUKQHT-UHFFFAOYSA-N 439.600 6.071 30 10 IKEE CCCCCCCOc1ccc2ccccc2c1[C@@H]1Nc2ccccc2C(=O)N1CCOC 100138475 IIVWMZJQWFBFIE-HHHXNRCGSA-N 446.591 6.402 30 10 IKEE CCCCCCCOc1cccc(NC(=O)c2ccc(OCC)c(Br)c2)c1 100246486 VLMTZEFOPNLQCU-UHFFFAOYSA-N 434.374 6.449 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)/C(=C(\O)c4ccco4)[C@@H]3c3ccccc3F)sc2c1 102904872 XZQOAGHGJHTIHM-LCPUNJGISA-N 448.475 5.217 30 10 IKEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 103091576 LSMHGTKATUANNY-UGUGFTGJSA-N 429.516 5.507 30 10 IKEE C/C(=N/n1c(-c2cccc(Cl)c2)cs/c1=N\c1cc(C)ccc1C)c1ccc(C)cc1 103459406 CRAPSIQEFGVIMC-LNDSQBDGSA-N 446.019 7.300 30 10 IKEE N#Cc1cc(Br)ccc1NCc1ccc(Br)c(Br)c1 163719674 NIPXNBWOJFZEFB-UHFFFAOYSA-N 444.952 5.458 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@H](c2cc(Cl)c(OCC(C)C)c(Cl)c2)NC(=S)N1 169938484 IUDVOGLMEPBFRI-IBGZPJMESA-N 449.403 5.704 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccc(O)cc2)s1 169958328 CGOCCPZSKQKCKJ-NRFANRHFSA-N 448.544 5.372 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2ccc(O)cc2)cc1 169963664 YULLMDQNQXJZCV-QFIPXVFZSA-N 435.426 5.016 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2cccc(Cl)c2)c1 169969987 ABAMGRDMJSJQFS-QHCPKHFHSA-N 442.902 5.913 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(OC(C)C)cc2)s1 169977739 LESKPUIYMYIARD-NRFANRHFSA-N 448.544 5.330 30 10 IKEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2cccs2)cc1 169982175 BDXMOMDAAUAJQV-HXUWFJFHSA-N 438.936 5.250 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2cccs2)c1 169985832 DDHDOQXIJYRGNE-LJQANCHMSA-N 425.893 5.193 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@H]1c1ccccc1)c1cc2ccccc2o1 170050409 XLCNJVJFFIPIFM-QFIPXVFZSA-N 447.849 6.008 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 170061898 RWJFSSMRWXATEI-VWLOTQADSA-N 429.491 5.490 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cn(C)c3ccccc23)cc1 170084361 QTIYAEVLZWGMEI-XMMPIXPASA-N 440.499 5.112 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C(C)C)c3)=C(O)C(=O)N2C2CCCC2)cc1 170117001 QMEIDZPTXAOLOC-DEOSSOPVSA-N 449.547 5.348 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc(OC(C)C)c(C)c2)=C(O)C(=O)N1C1CCCC1 170126144 SXFFNAIFNYTIPL-DEOSSOPVSA-N 449.547 5.312 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccc(O)cc1)c1cccc2ccccc12 170131314 FTHTYJUXIAQMCP-DEOSSOPVSA-N 439.442 5.467 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2cccs2)c(OC)c1 170160697 KFBBWWXNNZDBBV-QFIPXVFZSA-N 449.528 5.165 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccs2)c1 170163754 HZAXIGPNNQWRCU-NRFANRHFSA-N 425.550 5.446 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc(OCC)c1 170217810 WFQJEEYNLZPHDY-XMMPIXPASA-N 429.516 5.617 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(Cl)cc1 170235131 GRTAHKRPQVEASS-QFIPXVFZSA-N 447.918 5.748 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccc(F)cc2)cc1 170239732 VUFQHVGTUPXNSX-HSZRJFAPSA-N 426.447 5.398 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccccc2F)cc1 170249508 GPNYBUZZQHKKSW-VOIUYBSRSA-N 443.474 5.240 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccc(C)o2)c1 170300430 QQQBJZZWBKZBEO-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2sccc2C)c(C)c1 170313808 WGWNJOIZADLPND-FQEVSTJZSA-N 437.492 5.296 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2sccc2C)c1 170314807 RJQLXBGLSJXDIQ-OAQYLSRUSA-N 433.529 5.628 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2cccc(OC(C)C)c2)cc1C 170348651 VDCKGZDJSCDRFD-QHCPKHFHSA-N 431.488 5.467 30 10 IKEE COc1ccc(N2C(=O)C(=O)/C(=C(O)\C=C/c3ccccc3)[C@@H]2c2ccccc2F)cc1 229108784 MGLATFUNRHULEZ-HTRUQIIPSA-N 429.447 5.017 30 10 IKEE CCCCN1C(=O)/C(=C2/SC(=Nc3ccc(Cl)cc3)N(C)C2=O)c2ccccc21 252614440 JJIBUHATVABDNO-NRUAZUNZSA-N 425.941 5.091 30 10 IKEE Cc1cccc(N=C2S/C(=C3/C(=O)Nc4ccc(C)cc43)C(=O)N2c2cccc(C)c2)c1 252624121 PGTGMJXKKDIUMY-OHHJCTMOSA-N 439.540 5.743 30 10 IKEE Oc1ccc(N=C/C=C\c2ccc(Br)cc2)cc1-c1nc2ccccc2s1 252624825 PVZCVHBQXAGIBJ-KAVOMJSMSA-N 435.346 6.847 30 10 IKEE COc1cccc(/C=C2\SC(=Nc3ccc4ccccc4c3)N(C3CCCCC3)C2=O)c1 254384511 PTZPIXCZGJHVMI-NARSBJQYSA-N 442.584 6.785 30 10 IKEE CCOc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)C2=Nc1ccc(Oc2ccccc2)cc1 254700422 RXJSTNSLRSRQDM-GOSISDBHSA-N 440.543 6.631 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)ccc(Br)c1F 407229756 ZTPVIPXFSGQQOF-PBHICJAKSA-N 433.337 5.237 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccc(OC(C)C)c2)c1 526516509 OFDFRALCTDQLES-VWLOTQADSA-N 440.499 5.411 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccnc2)cc1Cl 526522257 PZMXEESVXIKIEQ-QFIPXVFZSA-N 431.879 5.063 30 10 IKEE CC(C)COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(F)c2)cc1 526711121 XTPNERPCIOLVSF-XMMPIXPASA-N 445.490 5.643 30 10 IKEE CCc1nnc(SCc2ccccc2)n1/N=C\c1ccccc1COc1ccccc1 526800001 UCDGJCCQCSLADN-ONUIUJJFSA-N 428.561 5.594 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1cccc(OCC)c1 526812651 GFQHYANVHVYDFN-IWIPYMOSSA-N 428.989 5.847 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1ccc(C(=O)O)cc1 526814999 RXJPTCMKFKQMJQ-YVNNLAQVSA-N 435.336 5.020 30 10 IKEE O=c1c2c(nc(NN=Cc3ccccc3)n1-c1ccccc1)-c1ccccc1CC21CCCC1 585656213 DACJFTBFSSAZPH-UHFFFAOYSA-N 446.554 5.713 30 10 IKEE N#Cc1cccc(CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)c1 586158794 KXCROWYAOYHVCN-UHFFFAOYSA-N 431.344 5.256 30 10 IKEE CC1CCN(c2ccc(N(CCCC#N)S(=O)(=O)c3ccccc3Cl)cc2)CC1 586225845 MIAXLLMIAYKGJD-UHFFFAOYSA-N 431.989 5.075 30 10 IKEE Cc1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 586243483 PSDZTCDILFZTTL-UHFFFAOYSA-N 431.344 5.569 30 10 IKEE CC(C)(C)OC(=O)N1CCC([C@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)CC1 698887747 ZLSSXNLZKLYPNT-DEOSSOPVSA-N 447.551 5.497 30 10 IKEE Brc1cccc(Br)c1N=C1NC2(CCSCC2)CCS1 719674878 JLDZQLBOJSKWCN-UHFFFAOYSA-N 436.238 5.191 30 10 IKEE Cc1ccc(OCCSc2nc3ccc(N=Cc4cccc([N+](=O)[O-])c4)cc3s2)cc1 1084408346 WWSYFLLFAVQVIM-UHFFFAOYSA-N 449.557 6.435 30 10 IKEE Cn1c(Cl)c(C=NOCc2ccc(SC(F)(F)C(F)(F)F)cc2)c2ccccc21 1088708714 WQPDQIKSUUBBGU-UHFFFAOYSA-N 448.844 6.630 30 10 IKEE CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]3C[C@H]([C@@H](C)[N+](=O)[O-])[C@H]2/C(C)=N/O)C1 1565535010 VOETZVYTDQTIBX-UWISFMPOSA-N 446.588 5.239 30 10 IKEE C/C(=C1\SC(=Nc2cccc(C(=O)O)c2)N(c2ccccc2)C1=O)c1ccc(F)cc1 1772738407 VOQPFHCAOYMABQ-LLLXPECQSA-N 432.476 5.723 30 10 IKEE CCN1C(=O)/C(=C\c2ccccc2[N+](=O)[O-])SC1=Nc1nc(-c2ccccc2)cs1 1772738925 RRAHPTCEJBGAAK-OKZFSLEBSA-N 436.518 5.342 30 10 IKEE O=C1/C(=C/c2ccccc2)SC(=Nc2nc(-c3ccccc3)cs2)N1C1CCCCC1 1772739844 WAZSLQVQMTZCKS-MTTLQMSQSA-N 445.613 6.747 30 10 IKEE C=CCN1C(=O)[C@@H](CC(=O)c2ccc3c(c2)CCCC3)SC1=Nc1ccc(Cl)cc1 1772759977 JGFIFAIDXQQORY-JOCHJYFZSA-N 438.980 5.609 30 10 IKEE Cc1ccc(-c2csc3nc(-c4ccccc4C)n(Cc4cccc(C#N)c4)c(=O)c23)cc1 1857803174 DSUNZYFKRQHSHY-UHFFFAOYSA-N 447.563 6.329 30 10 IKEE CCCCCCCCn1cc(OCCOc2ccc(C(C)(C)C)cc2)c(=O)cc1C(=O)O 1857890886 IAPZRBJMEPCVOV-UHFFFAOYSA-N 443.584 5.662 30 10 IKEE Cc1ccc(Cn2nc(C(=O)Nc3ccc(C#N)cc3)c(Cl)c2-c2ccc(F)cc2)cc1 1859384608 MQNMSTOVTKBZQZ-UHFFFAOYSA-N 444.897 5.823 30 10 IKEE C=CCOC(=O)c1sc(NC(=O)c2c(C)oc3ccc(OCC(C)C)cc23)nc1C 1859644076 CJJDDLFNZCDBKR-UHFFFAOYSA-N 428.510 5.136 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)CCCSc2ccccc2)nc2ccccc12 1859762727 DYVNAPYBQABRLQ-UHFFFAOYSA-N 427.533 5.112 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)c1ccc2nc(C(C)(C)C)[nH]c2c1 1861446342 GSERAJZWZQJEPG-FQEVSTJZSA-N 442.648 5.626 30 10 IKEE CCCCCCCCNC(=O)[C@H](NC(=O)c1ccc2nc(CCC)[nH]c2c1)c1ccccc1 1861453960 OMROMHKPLNPXCG-RUZDIDTESA-N 448.611 5.463 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)COc1ccc(Cl)cc1Cl 1861682138 ZOQDBHWGRSVSCJ-LJQANCHMSA-N 445.431 5.524 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCSC)NC(=O)c1cc(Cl)ccc1Cl 1861766197 XNYQYSKRWRRMLC-SFHVURJKSA-N 433.445 5.322 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2ccc(C(C)C)cc2)cc1 1862394158 CKCFCAUDZMNGHH-DFBJGRDBSA-N 433.592 6.529 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2cc(Cl)cc(Cl)c2)cc1 1862394501 MVUJTQPIUGMWHH-OAQYLSRUSA-N 444.358 6.077 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2c(F)cccc2Cl)cc1 1862398062 UNNOVUNHLDBADL-OAQYLSRUSA-N 445.918 5.046 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(C)cc2)cc1C 1862400806 NGGZHRYBEOGXKC-RUZDIDTESA-N 441.527 5.133 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(C)cc1 1862475435 LMVGGWCORKSXHS-XMMPIXPASA-N 427.500 5.091 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCCCCC2)c1 1862489572 XNVYDJYAOPHNFG-RUZDIDTESA-N 447.575 6.003 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2cccc(F)c2)cc1 1862529561 HSGHDFAJEFJGKT-MZNJEOGPSA-N 429.491 5.728 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccc(Cl)cc2)cc1 1862535841 LGRBIYYDWSZVII-QHCPKHFHSA-N 449.909 5.820 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cccc([N+](=O)[O-])c1 1862547133 NJVQUMYFOCHDIY-QHCPKHFHSA-N 448.519 5.098 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2cccc(C)c2)cc1 1862589011 BZGMXWDVNOUMKT-IQGLISFBSA-N 441.527 5.603 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(C(C)C)cc1 1862595742 PITWDMDJRTYESI-RUZDIDTESA-N 449.591 6.454 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1c(F)cccc1Cl 1862620379 QVSUVMHEQNVRHK-SZNDQCEHSA-N 443.946 6.153 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(CC)cc1 1862628082 VDWDEUMTOAVERX-HSZRJFAPSA-N 435.520 5.136 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CCCC2)cc1OC 1862669309 SRHVYNUEYHZUQQ-XMMPIXPASA-N 449.547 5.348 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2c(F)cccc2Cl)c1 1862704831 JYWZRNOAEJCESQ-HXUWFJFHSA-N 429.875 5.009 30 10 IKEE N#Cc1ccccc1NC1=C(c2cccc3ccccc23)C(=O)N(c2ccc(F)cc2)C1=O 1862841098 BHFXGMGHQCFMDQ-UHFFFAOYSA-N 433.442 5.247 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(CCCCc3ccccc3)C2=O)cc1C 1863254095 LVFHILRGKVOQKC-UHFFFAOYSA-N 449.554 5.390 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(F)c(C)c2)C1=O 1863462704 NIJUWDVNWVQCKA-OAQYLSRUSA-N 433.527 5.557 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccncc2)=C(c2cccc3ccccc23)C1=O 1863583801 OTHIEIBCJPUZCX-UHFFFAOYSA-N 441.575 5.465 30 10 IKEE N#Cc1cc(Br)c(NC(=O)Cc2coc3ccccc23)c(Br)c1 1866199095 BVHSYVUHVMZQNB-UHFFFAOYSA-N 434.087 5.011 30 10 IKEE CC(C)c1nc(Nc2ccc(C#N)cc2)cc(N2CCC[C@@H]2c2nc3c([nH]2)CCCC3)n1 1868242202 JOGANAJTIYSFHG-OAQYLSRUSA-N 427.556 5.159 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](NC(=O)C[C@H](c1ccc(Cl)cc1)C(C)C)c1ccccc1 1868701478 DGDVIFRGYOJRBI-UKILVPOCSA-N 438.999 5.528 30 10 IKEE Cc1ccc(C(=O)CCC(=O)Nc2c(C#N)nnn2-c2cc(C(C)C)cc(C(C)C)c2)cc1 1870143817 DBQZNUMYAYXNNA-UHFFFAOYSA-N 443.551 5.296 30 10 IKEE CC(C)c1cc(C(C)C)cc(-n2nnc(C#N)c2NC(=O)c2ccc(C(C)(C)C)cc2)c1 1870157475 FVABGJHZINQBRN-UHFFFAOYSA-N 429.568 5.936 30 10 IKEE C=CCOc1cn(CCCCCCCC)c(CNc2ccc(N3CCCC3)cc2)cc1=O 1870811525 CZOUTWSUYZRPKN-UHFFFAOYSA-N 437.628 5.986 30 10 IKEE CCCCCCCOc1cn(CCCCCC)c(CNc2ccc(OC)cc2)cc1=O 1870839680 XAQNNLMOSDFXFA-UHFFFAOYSA-N 428.617 6.399 30 10 IKEE C=CCn1cc(OCc2cccc(OC)c2)c(=O)cc1CNc1ccc(C(F)(F)F)cc1 1871054437 GPOWIAGHZORPKB-UHFFFAOYSA-N 444.453 5.253 30 10 IKEE CCCCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CNc1ccc(F)cc1 1871059433 GADSYJNWHPFXLY-UHFFFAOYSA-N 442.619 7.085 30 10 IKEE Cc1cccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCC(C)C)c1C 1871254601 DKXNHRVWPINUIR-UHFFFAOYSA-N 429.564 5.574 30 10 IKEE O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(-c2ccc(F)c(F)c2)on1 1871279844 PQONDHOGMBXFIO-UHFFFAOYSA-N 436.258 5.910 30 10 IKEE O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)Oc2cc(OC(=O)c3c(F)cccc3Cl)ccc21 1871375306 FHPQRCCJAYWPRX-GRSHGNNSSA-N 439.782 5.223 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871375495 OBSXKQMRUPDFSX-QRVIBDJDSA-N 434.875 5.503 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1Cl 1871401543 GPEHKLPBFJJJNU-SAMUYDCASA-N 447.918 5.979 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4)cc(C)c3C2=O)cc1 1871403996 FUZYDQXZETZHDK-XHFXOGKZSA-N 427.500 5.580 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3cc(OCCOc4cccc(C)c4)cc(C)c3C2=O)c1 1871406788 ISYAAWGZVROOGV-MYYYXRDXSA-N 446.499 5.395 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(O[C@H](C)C(=O)Nc3c(C)cccc3C)ccc2C1=O 1871431835 OTDFJMZADOBMTG-QHSFOXILSA-N 427.500 5.634 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccc(C(C)C)cc4)c3C)C2=O)cc1 1871435675 XSXLSWVYYNRMBL-MYYYXRDXSA-N 441.527 6.061 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3cc(OCCc4ccc(C)cc4)cc(C)c3C2=O)c1 1871437709 YUAPQAGHWDCWTR-MYYYXRDXSA-N 430.500 5.558 30 10 IKEE Cc1cc(OCCC(=O)Nc2ccccc2)cc2c1C(=O)/C(=C/C=C/c1ccccc1)O2 1871446616 GEXJERYEOCGPBP-LABNAMAPSA-N 425.484 5.575 30 10 IKEE CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2sccc2C)C3=O)cc1 1871449033 RIVMJRAIOCOVTO-NXUSMQHESA-N 447.512 5.281 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1 1871894697 AMNFMZMCPXEBFF-QFIPXVFZSA-N 449.016 5.331 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1ccccc1 1872428048 PCYRTEHRKOEJHD-JOCHJYFZSA-N 449.016 5.413 30 10 IKEE CCCOc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 1872762354 KDUUKDQMSZQJBH-GOSISDBHSA-N 445.371 6.325 30 10 IKEE CCc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3cccc4ccccc34)cs2)cc1 1872774904 FRDDEAGVXRYQOB-XMMPIXPASA-N 440.568 6.561 30 10 IKEE Cc1cccc(C)c1OCCCC(=O)[C@H](C#N)c1nc(-c2ccc(F)c(F)c2)cs1 1872779251 FNZNFVQTDPTKAL-KRWDZBQOSA-N 426.488 5.741 30 10 IKEE C[C@H]1C[C@@H](C)CN(CC(=O)[C@@H](C#N)c2nc(-c3ccccc3)c(-c3ccccc3)s2)C1 1872799850 MLKOYWZJQQMGHR-XQBPLPMBSA-N 429.589 5.631 30 10 IKEE C=CCc1ccccc1OCc1ccc(C(=O)Nc2ccc(C)c(Br)c2)cc1 1872859123 GIFLJFMHXAKRBP-UHFFFAOYSA-N 436.349 6.317 30 10 IKEE C=CCN1C(=O)C(Nc2cccc(C(F)(F)F)c2)=C(c2c(Cl)cccc2Cl)C1=O 1873289612 WKTYCIVPBOKMCT-UHFFFAOYSA-N 441.236 5.390 30 10 IKEE Cc1ccccc1CSc1nncn1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1873501792 PBBAVWRJBNURFC-MZJWZYIUSA-N 448.979 5.993 30 10 IKEE C=CCn1c(C(=O)Nc2ccccc2C(C)C)cc2c(NCc3ccccc3)ncnc21 1873609136 WDYUYUYRZVJYJW-UHFFFAOYSA-N 425.536 5.605 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)c(F)c2)cc2c(NCc3ccc(F)cc3)ncnc21 1873611497 DBRQWNKVAZOKDH-UHFFFAOYSA-N 433.462 5.068 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2C)n1/N=C/c1ccc(Cl)cc1 1874250025 QFSZLQNAOAEVBX-MFKUBSTISA-N 441.000 5.802 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(Cc2cccc3ccccc23)nnc1SCC=C 1874270549 WURYEXRXCHUPIX-ZXVVBBHZSA-N 440.572 5.747 30 10 IKEE CCCCC1CCC(c2nnc(SCC(=O)OCC(C)C)n2/N=C/c2ccc[nH]2)CC1 1874286536 LTNLWBSDTCJXDL-AFUMVMLFSA-N 445.633 5.244 30 10 IKEE C=CCSc1nnc(COc2ccc(OC)cc2)n1/N=C/c1c(Cl)cccc1Cl 1874293563 JBLUKARJFOKNBG-FSJBWODESA-N 449.363 5.333 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3)n2/N=C/c2cccs2)cc1C 1874330383 QWFMLAOWTNTKNX-PCLIKHOPSA-N 432.618 5.916 30 10 IKEE Clc1ccc(CSc2nnc(COCc3ccccc3)n2/N=C/c2ccco2)cc1 1874354468 LELUUNGQOORNIS-ZMOGYAJESA-N 438.940 5.416 30 10 IKEE CCCOc1c(/C=N/n2c(CCc3ccccc3C)nnc2SCC)cccc1OC 1874362900 CQYBGBCMUBHYGS-KOEQRZSOSA-N 438.597 5.163 30 10 IKEE CCCOc1ccc(/C=N/n2c(CCc3cccs3)nnc2SCC)cc1OCC 1874370843 ULIHDWXXWFHEAK-XQNSMLJCSA-N 444.626 5.307 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccccc3)n2/N=C/c2cccc(F)c2)c1 1874383498 CTXVNCSPYSLKHS-CVKSISIWSA-N 432.524 5.479 30 10 IKEE COc1cccc(/C=N/n2c(COc3ccccc3)nnc2SCc2ccccc2F)c1 1874384229 FSXSYBYTBJSHJE-CVKSISIWSA-N 448.523 5.179 30 10 IKEE Clc1cccc(/C=N/n2c(CC3CCCCC3)nnc2SCCc2ccccc2)c1 1874408387 UJJXVWRPNPIEIY-NLRVBDNBSA-N 439.028 6.271 30 10 IKEE CCCOc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCCC)cc1OCC 1874409481 ZISVHSWUIKKTIN-XIEYBQDHSA-N 444.645 5.973 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2cccs2)n1/N=C/c1ccccc1Cl 1874411223 XGLYZXFVUZWNCD-ZVHZXABRSA-N 439.009 6.067 30 10 IKEE C=CCSc1nnc(Cc2cccs2)n1/N=C/c1ccc(OCCCCC)cc1 1874413463 VFBWSGKEYRUVJB-HAVVHWLPSA-N 426.611 5.660 30 10 IKEE COC(=O)c1ccc(/C=N/n2c(SCc3ccccc3F)nnc2-c2ccccc2)cc1 1874428741 ZISDIMPBINQCLV-CVKSISIWSA-N 446.507 5.045 30 10 IKEE CCOc1cc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccc(C)cc2)ccc1O 1874436666 LSDLMASOFZSUCF-MFKUBSTISA-N 438.597 5.454 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1cccc(Br)c1 1874507949 DJMICVKUKQSISS-WSDLNYQXSA-N 449.805 5.821 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2ccccc2F)cc1C 1874574390 KDCSESBLMPDARN-ACCUITESSA-N 449.478 5.065 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Cl)ccc1OCC(=O)Nc1cccc(C)c1 1874576717 CECUHUPKJPSMGK-ZRDIBKRKSA-N 435.907 5.571 30 10 IKEE CCc1ccccc1NC(=O)COc1c(/C=C/C(=O)c2ccc(Cl)cc2)cccc1OC 1874578347 IYMDPMWNUJUEDG-DTQAZKPQSA-N 449.934 5.825 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cc(Cl)ccc1OCc1ccccc1Cl 1874585986 PXECWBGQUZMSJX-CSKARUKUSA-N 441.354 7.094 30 10 IKEE O=C(/C=C/c1cccc(OCc2cccc(Cl)c2)c1)c1ccc(Br)cc1 1874593269 BAHDQMYJGIBSDJ-KPKJPENVSA-N 427.725 6.578 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1OCc1cccc2ccccc12 1874597602 VTVHRRFXIJFGHQ-FMIVXFBMSA-N 438.479 6.052 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1)Nc1ccccc1 1874601374 IHQKHVXXQIMYQQ-DEDYPNTBSA-N 433.507 6.267 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OCc1ccccc1C 1874601970 MLGPVQKOHAPWDE-LDADJPATSA-N 434.535 7.146 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 1874610207 GRQLNGKAEJZKLF-JLHYYAGUSA-N 449.459 5.096 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Cl)c1OCc1ccccc1C 1874611581 LUWAHBRYNTZPEO-JXMROGBWSA-N 428.862 6.410 30 10 IKEE O=C(/C=C/c1ccc(OCc2c(F)cccc2Cl)c(Cl)c1)c1ccc(F)c(F)c1 1874626296 WLQSINHZZASILD-XBXARRHUSA-N 437.244 6.886 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1 1874629585 KHWQGCBOCJHTPX-NTCAYCPXSA-N 443.543 5.788 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OC 1874633078 LBSIVSDQWGFIDZ-SDNWHVSQSA-N 443.543 5.788 30 10 IKEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1Br 1874634357 XYDZJNAUHBPWDQ-SOFGYWHQSA-N 444.369 5.175 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCCc3ccccc3)c([N+](=O)[O-])c2)cc1Cl 1874635963 CEEJDLMTVPOGLK-JXMROGBWSA-N 437.879 5.774 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3Cl)cc2)c2ccccc12 1874638396 XQDJOJABCCKIFN-FOWTUZBSSA-N 428.915 6.977 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c(OC)c1OC 1874639585 GXBXGQHEHASBMG-RIYZIHGNSA-N 449.459 5.096 30 10 IKEE COc1cccc(C(=O)Oc2cccc(/C=C/C(=O)c3cccc(Br)c3)c2)c1 1874697546 CQDNCOMSUPPFKC-VAWYXSNFSA-N 437.289 5.573 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cccc(OC(=O)c2ccc(OCC(C)C)cc2)c1 1874698786 OCTCAUNMDLDKQI-LFIBNONCSA-N 430.500 5.845 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl 1874703121 ZTEXAEFSCBDZCO-MWQXYBBBSA-N 446.930 6.262 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cccc(OC(=O)CCCOc3ccc(Cl)cc3)c2)c1 1874703622 YJDPKSLMVJIBLW-XNTDXEJSSA-N 448.946 6.618 30 10 IKEE C=CCN(CC=C)CCC(=O)c1cccc(OC(=O)c2ccc(OCCCCCC)cc2)c1 1874732011 LILGDHAADQFBQH-UHFFFAOYSA-N 449.591 6.112 30 10 IKEE C=CCN(CC=C)CCC(=O)c1ccc(OC(=O)c2ccc3cc(Cl)ccc3n2)cc1 1874748690 MOOUTLLAUNALEJ-UHFFFAOYSA-N 434.923 5.354 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(CCCC)cc2)cc(OC)c1OC(=O)c1ccco1 1875107859 MVVVBFIZMQKJLR-DTQAZKPQSA-N 444.527 6.475 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])c(OC)c2)cc1C 1875109156 YTUOKYYVOKFFOV-DHZHZOJOSA-N 447.443 5.036 30 10 IKEE CC(C)CC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 1875109931 LEOLLVISFXLJRG-YCRREMRBSA-N 432.270 5.205 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl 1875116485 DPPLNEVDNYMKJS-OQLLNIDSSA-N 443.927 6.800 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)ccc1OC(=O)c1ccc(F)cc1 1875152079 LODOOWBFAFOWAR-NYYWCZLTSA-N 438.426 5.487 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)ccc1OC(=O)c1cccc(F)c1 1875152543 UDFWEXINXCTQNS-JXMROGBWSA-N 438.426 5.487 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc(OC)c1OC(=O)CC(C)C 1875166568 MTPZVYZETCILOM-ZRDIBKRKSA-N 436.548 5.897 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc(Cl)c1OC(=O)C1CCC1 1875171467 YBFWZBOHSYAYNH-MDZDMXLPSA-N 442.939 5.966 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)CC(C)C)c([N+](=O)[O-])c1 1875181127 OVJBJGRWAANQFV-FNORWQNLSA-N 431.872 5.413 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)ccc1OC(=O)C1CCCC1 1875191871 ISKXPHFPNYSLAB-SDNWHVSQSA-N 430.500 5.849 30 10 IKEE C[C@@H](C#N)c1cccc(C(=O)N2CCC(c3ccc4cc(-c5cccnc5)cnc4n3)CC2)c1 1891371156 ZTPUIBDJCXWSKS-IBGZPJMESA-N 447.542 5.339 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C=CC(=O)c2c(F)ccc(F)c2Br)cc1 1912031582 QNQPYCWIPCXCMU-UHFFFAOYSA-N 438.268 5.970 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@H](C#N)[C@H]1CCCN1C(=O)OC(C)(C)C 1991928205 NWNXURYWGZOKPZ-QZTJIDSGSA-N 435.952 5.373 30 10 IKEE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)[C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2C#N)C1 2006130886 VGZVEQBQMJTGNE-FUPPJEDESA-N 425.617 5.462 30 10 IKEE C=CCN(CC[C@@H](NCC)c1c(Cl)cccc1Br)C(=O)OC(C)(C)C 2037962857 NMAVVYGPNVNCIS-MRXNPFEDSA-N 431.802 5.566 30 10 IKEE Cc1ccc2c(c1)S/C(=C1/C[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]3(C)C1=O)S2 2040691053 YMDSWPZYGHRYGY-LEECSZMKSA-N 438.702 8.016 30 10 IKEE Cc1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)sc1Cl 2046768522 LRSLRJKUBFVBON-CQSZACIVSA-N 441.778 6.479 30 10 IKEE CCOc1ccc([C@H](C2CCC2)n2nc(C(F)F)c(C=NO)c2Br)cc1 2080117496 FWAADOCRRDENDO-INIZCTEOSA-N 428.277 5.180 30 10 IKEE C=CCCCCCCCCNc1ccc(I)cc1Br 2142452755 KOZFLUOQNIPACU-UHFFFAOYSA-N 436.175 6.382 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCCOC12CCCC2 2155126910 WHRFJDABHPLJQV-HXUWFJFHSA-N 435.362 5.576 30 10 IKEE CN(CC[C@H]1CCCCN1c1cc(Br)cc(F)c1C#N)C(=O)OC(C)(C)C 2174807894 HXPCGHRGGMENPV-OAHLLOKOSA-N 440.357 5.076 30 10 IKEE C=CCCCCC[C@@H](O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229113887 KGBMDBNFJSGZJQ-RTBURBONSA-N 426.395 5.382 30 10 IKEE CCCCCCC[C@H](O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229115775 YTCLUYXUOZIHMK-OALUTQOASA-N 428.411 5.606 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1c(F)cc(F)cc1F 2235812835 DXQMUFZAUMHTFF-MRXNPFEDSA-N 441.247 5.873 30 10 IKEE CCN[C@H](C#Cc1ccccc1Cl)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 2245950528 KJNVXGJKEQDNTE-JOCHJYFZSA-N 426.988 5.497 30 10 IKEE C=C(C)C[C@@H](OCCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2262461011 BIPISDKLVAMKRA-HHHXNRCGSA-N 431.576 6.217 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(Br)cc2C#N)C[C@@H]1C(F)(F)F 2279311411 SEYHIAQFWGPLDQ-UKRRQHHQSA-N 448.283 5.063 30 10 IKEE C=CCCC1([C@@H](Cc2cccc(Br)c2)NCC)CN(C(=O)OC(C)(C)C)C1 2281055644 JJCQAGWSVWVZLX-LJQANCHMSA-N 437.422 5.173 30 10 IKEE C=CCC[C@H](C)[C@](C)(OCCCN)c1cc(Br)c(Br)s1 2294219661 WJMAFQJAARQNQY-NHYWBVRUSA-N 425.230 5.456 30 10 IKEE CCN1C(=O)C(=C2Sc3ccccc3N2C)SC1=Nc1cccc(C(F)(F)F)c1 2295201896 MEQKKQNRCGBEPY-UHFFFAOYSA-N 435.496 5.699 30 10 IKEE O=C(C=Cc1ccccc1)Oc1ccc2c(c1)OC(=Cc1ccccc1Br)C2=O 2297471565 UZGXCFBVMMFFJD-UHFFFAOYSA-N 447.284 5.684 30 10 IKEE C=C1CC[C@@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@](C)(O)C(C)(C)O 2297713035 BPEQZNMKGFTMQE-QXDRRIBVSA-N 428.657 5.871 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@H](C#N)[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C 2299173470 JFEGPBYDVCOZMN-MSOLQXFVSA-N 449.979 5.619 30 10 IKEE CC[C@@]1(C)N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2300008225 SCRZKBNEQXJRJU-DNQXCXABSA-N 435.609 5.628 30 10 IKEE C=CCC(CC=C)[C@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2301037465 PRMZASSDWNWVNY-QDSKXPNFSA-N 430.633 5.622 30 10 IKEE O=C1C(=Cc2cccc(Cl)c2Cl)SC(=Nc2ccccc2)N1C1CCCCC1 2313511375 KTSKKESYSNAFSS-UHFFFAOYSA-N 431.388 6.930 30 10 IKEE O=C1NC(=Nc2ccc(Cl)cc2)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)S1 2314487390 IGKRVESVRBPIPC-UHFFFAOYSA-N 425.853 6.036 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)C=Cc2ccccc2Cl)nc2c(C)cccc12 2320450733 MDCNDZFLMFWEKY-UHFFFAOYSA-N 427.895 5.214 30 10 IKEE C=CCSc1nnc(CC)n1N=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2321014884 VZYJFVOUKMMAON-UHFFFAOYSA-N 447.391 5.887 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2321352058 QCTGITFDTXSZAB-UXHICEINSA-N 447.620 5.628 30 10 IKEE Cc1cccc(CN2COc3cc(C)c4c(c3C2)OC(=Cc2cccc([N+](=O)[O-])c2)C4=O)c1 2322218139 XXGPLYLABMQEBX-UHFFFAOYSA-N 442.471 5.180 30 10 IKEE CCCCOCCCN1COc2c(cc3c(c2C)OC(=Cc2ccc(CC)cc2)C3=O)C1 2322391481 OODGLCQHQSVDGI-UHFFFAOYSA-N 435.564 5.532 30 10 IKEE O=C(C=Cc1ccccc1OCc1c(F)cccc1Cl)c1ccc(Br)cc1 2322416549 XHFZQLQCANPNSM-UHFFFAOYSA-N 445.715 6.717 30 10 IKEE C=C(C)COc1ccc(Br)cc1C=CC(=O)c1cc(C(C)C)c(OC)cc1C 2322792112 XKQSFKGQIPYLHB-UHFFFAOYSA-N 443.381 6.741 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccccc2OCc2ccc(Cl)cc2Cl)c1C 2322833142 ZJDAPRRHYGURHX-UHFFFAOYSA-N 439.382 7.702 30 10 IKEE Cc1c(OC(=O)Cc2ccc(Cl)cc2)ccc2c1OC(=Cc1ccc(N(C)C)cc1)C2=O 2322900948 GJPUETHCQJVDMB-UHFFFAOYSA-N 447.918 5.479 30 10 IKEE O=C(COc1cccc(C=CC(=O)c2ccc3ccccc3c2)c1)Nc1ccc(F)cc1 2323047520 LNNKHMYYIKFBDY-UHFFFAOYSA-N 425.459 5.893 30 10 IKEE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1OC 2323068426 RLFVSZGVFXROCA-UHFFFAOYSA-N 446.430 5.078 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)cc(Cl)c1OCc1ccc(C)cc1 2323499462 MVWYEODYWRPTKR-UHFFFAOYSA-N 436.935 6.531 30 10 IKEE C=CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2OC)C3=O)cc1 2323865361 RXNONLKRZJCBKW-UHFFFAOYSA-N 442.467 5.404 30 10 IKEE Cc1cccc(COc2ccc(C=CC(=O)c3ccc(Cl)c(Cl)c3)cc2[N+](=O)[O-])c1 2323887680 RESOYIJNDOYXPC-UHFFFAOYSA-N 442.298 6.685 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 2323896094 MIAQAJZRVACIBZ-UHFFFAOYSA-N 437.879 6.040 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)c([N+](=O)[O-])c2)c1 2323949459 HABBBIKKBZKZGN-UHFFFAOYSA-N 448.450 5.264 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2)c(C)c1 2324055279 IXLMAVVIBMGJGG-UHFFFAOYSA-N 441.571 6.515 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1F 2324111094 ZTYWXDPMWDLSQH-UHFFFAOYSA-N 439.870 5.401 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OCc1ccc(C)cc1 2324234769 OYZZKCXWIJKTDT-UHFFFAOYSA-N 444.571 6.785 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3cccc([N+](=O)[O-])c3)n2)cc1 2324404392 SFKUUCYWMBVQNO-NRFANRHFSA-N 431.517 5.951 30 10 IKEE CCc1ccc(NC(=O)[C@@H](CC)Oc2ccc3c(c2)OC(=Cc2sccc2C)C3=O)cc1 2324816808 FIZNWOUERUWHRC-OAQYLSRUSA-N 447.556 6.031 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)Nc2ccc(C#N)cc2)cc2c1C(=O)C(=Cc1ccc(F)cc1)O2 2325302022 IRPFGWVTSSIZMQ-INIZCTEOSA-N 442.446 5.028 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccc(Cl)c(Cl)c1 2325509585 VYKXZCRUCAQZCV-UHFFFAOYSA-N 433.408 6.410 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(ccc(OCCN4CCCCC4)c3C)C2=O)cc1 2325701641 HZXMNXUVWGUPET-UHFFFAOYSA-N 434.580 5.322 30 10 IKEE COc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4Cl)cc(C)c3C2=O)cc1 2325717867 CIACXYYRUDZNPN-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE COc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccccc3Cl)c2)cc1[N+](=O)[O-] 2325718041 RGEYRIJWCQPPTL-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE Cc1c(OCC(=O)Nc2ccccc2C(C)C)ccc2c1OC(=Cc1ccc(F)cc1)C2=O 2325726382 GSGKVYCUMNQHEC-UHFFFAOYSA-N 445.490 5.891 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2cccs2)C3=O)cc1Cl 2325729619 WLIUDYBYGOFSSG-UHFFFAOYSA-N 439.920 5.652 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OC(=O)COc2cc(F)ccc2F)c1 2325743592 YUUQINWPSGYNCB-UHFFFAOYSA-N 438.426 5.162 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2cccc(OC(=O)c3ccccc3C)c2)cc1Cl 2325766975 GOZKUKOHZYUDFJ-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE CCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1cccc(Br)c1 2326412529 VRBHCMZDGJDISK-UHFFFAOYSA-N 429.387 5.394 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2N=Cc2cccc(F)c2)c(C)c1 2326460586 ZCTVEUZXVRSZKW-UHFFFAOYSA-N 444.579 5.994 30 10 IKEE C(=Nn1c(CCc2cccc3ccccc23)nnc1SCc1ccccc1)c1cccnc1 2326596903 IQPLIKMOYOKWHN-UHFFFAOYSA-N 449.583 5.786 30 10 IKEE C=CCSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1ccc(C(C)(C)C)cc1 2327383569 CFOKVRWKPYSINB-UHFFFAOYSA-N 448.636 6.267 30 10 IKEE CCCCC1CCC(c2nnc(SCC)n2N=Cc2ccc(Br)cc2)CC1 2328145358 SRTRPCISRMWKRY-UHFFFAOYSA-N 449.462 6.499 30 10 IKEE COc1ccccc1OCc1nnc(SCc2ccccc2)n1N=Cc1cccc(C)c1 2328278365 DTNPHPHTIDHYTC-UHFFFAOYSA-N 444.560 5.349 30 10 IKEE C=CCSc1nnc(CCc2ccc(OC)cc2)n1N=Cc1ccccc1OC(C)C 2328580020 KJRPJRNSPZJLGL-UHFFFAOYSA-N 436.581 5.019 30 10 IKEE Fc1cccc(CSc2nnc(Cc3ccc(Cl)cc3)n2N=Cc2cccnc2)c1 2329085424 KHOJSUQCJNOCSU-UHFFFAOYSA-N 437.931 5.231 30 10 IKEE CCc1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2-c2ccccc2Cl)cc1 2329549022 WRRRHIWNLNJKOK-UHFFFAOYSA-N 447.007 6.644 30 10 IKEE Oc1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCc2ccc(F)cc2)cc1 2329813921 JKNHFNITDAVHIS-UHFFFAOYSA-N 436.487 5.027 30 10 IKEE CCc1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCc2cccc(C)c2)cc1 2329817068 SLSDBANLIYJDKH-UHFFFAOYSA-N 444.579 6.053 30 10 IKEE C=CCSc1nnc([C@H](C)c2ccccc2)n1N=Cc1ccc(OCC)c(OCC)c1 2330119236 AWOOJCMRUYQGMB-GOSISDBHSA-N 436.581 5.388 30 10 IKEE Cc1cccc(C=Nn2c(Cc3cccs3)nnc2SCc2ccccc2Cl)c1 2330396139 NMZPIPWQHIXIAR-UHFFFAOYSA-N 439.009 6.067 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)c1ccccc1 2330935275 RFSDCJWRZGSUKM-UHFFFAOYSA-N 441.310 6.507 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)c1 2331059284 CNTHJHIXPRADID-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(N(C)C)cc1 2331154580 LLXBXGJSQCAXPO-UHFFFAOYSA-N 449.934 5.920 30 10 IKEE CCCCCCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2)cc1 2331162110 UGPHXTIUWPMMQI-UHFFFAOYSA-N 428.528 6.761 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccc(C)cc3C)cc2)cc1F 2331451163 WEFNBMVXEMPQTR-UHFFFAOYSA-N 434.463 5.332 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H](C)c3ccccc3)c(Cl)c2)cc1 2331494268 PLRQVZPSXZNKLB-LJQANCHMSA-N 432.947 7.069 30 10 IKEE CCCc1nnc(SCCc2ccccc2)n1N=Cc1c(OC)ccc2ccccc12 2331653628 LTIOMPFZLVCGHM-UHFFFAOYSA-N 430.577 5.609 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc(OC)c1OC(=O)CCC 2331801391 FENXBENJCOZLAJ-UHFFFAOYSA-N 434.576 6.631 30 10 IKEE N#Cc1nnn(-c2ccc(Oc3ccccc3)cc2)c1NC(=O)C=Cc1cccc(Cl)c1 2332188849 JUFSSSNQBCWICI-UHFFFAOYSA-N 441.878 5.237 30 10 IKEE CC1(C)OB(c2cc(Cl)cnc2SCc2ccccc2Br)OC1(C)C 2341255548 LMEZPVBEEITKAM-UHFFFAOYSA-N 440.599 5.089 30 10 IKEE CCCN[C@H](C#C[C@@H]1CC1(C)C)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2365095388 FJXYZUAAXMVWCQ-SJLPKXTDSA-N 435.406 5.886 30 10 IKEE CO[C@H](C#C[C@H](O)c1ccc(Br)cc1NC(=O)OC(C)(C)C)C1CCCC1 2369515957 JZAWVLMGLXUSLZ-RBUKOAKNSA-N 438.362 5.038 30 10 IKEE COc1ccc(/C=N/c2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)cc1Cl 3113725 KGOZCZHHFUHTFM-OPEKNORGSA-N 431.706 7.214 30 10 IKEE Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)C34CC5CC(CC(C5)C3)C4)cc(C)c2c1 12241477 RQSMQWGNKYONPY-UHFFFAOYSA-N 439.563 5.372 30 10 IKEE CCOc1ccc(/N=C2/SCCCN2C(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)cc1 13098613 HKSMESIJIHQPHN-LDJRNAMNSA-N 447.604 5.958 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(C)s1)N2 14456547 KUJOCSUTWKTUQY-SFYKDHMMSA-N 426.607 5.246 30 10 IKEE O=C(/C=C/c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1ccccc1 20509959 YGDXBCKMROYHHD-WVEOUUQPSA-N 428.535 6.938 30 10 IKEE COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2O)cc1OC 21224042 LTMVJUGNGHMDSS-CBZJRKILSA-N 442.515 5.389 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C)o2)cc1 21255534 UWPOMKGSMXSJRI-XHCCPWGMSA-N 428.532 6.356 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(OC)cc2)cc1 21260085 UNLGHJDEWVNOHI-NGOKVRLYSA-N 440.543 6.073 30 10 IKEE C[C@H](Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)C(=O)Nc1ccccc1C#N 24508978 LXHGQDMQMZIQQM-HNNXBMFYSA-N 444.874 5.391 30 10 IKEE Cc1ccc(N/C(=N/S(=O)(=O)c2ccc(Br)cc2)c2ccc(C)cc2)cc1 27490957 NOCPNQSZVORXLI-UHFFFAOYSA-N 443.366 5.314 30 10 IKEE C=C1C[C@]2(CO)CC[C@@H]3[C@H](CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)CC[C@]43C)[C@H]2[C@@H](C)[C@@H]1C 31542238 SKTKWKQBCTYFMA-QYPKPUPDSA-N 440.712 7.061 30 10 IKEE C=CCN1C(=O)/C(=C/c2cccc(OCc3ccc(C)cc3)c2)S/C1=N/c1nccs1 39864881 MCJVOSMPSKFETD-SYUAUQEVSA-N 447.585 5.821 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1ccccc1F 40093607 UGBVUOVEWCPKPX-JOCHJYFZSA-N 425.500 5.300 30 10 IKEE C=CCc1ccccc1OCCCCn1c([C@H](O)c2ccccc2)nc2cc(C)c(C)cc21 40310543 KCESNVACCHDEGO-MUUNZHRXSA-N 440.587 6.323 30 10 IKEE COc1cccc(/C=C2\Oc3c(cc4c(c3C)OCN(C3CCCCC3)C4)C2=O)c1OC 41588421 DYEWVSDJXYCWFN-XKZIYDEJSA-N 435.520 5.113 30 10 IKEE O=C1/C(=C/C=C/c2ccccc2)S/C(=N/N=C\c2ccc(Cl)cc2)N1Cc1ccco1 47137902 SOJHFCZKWQZDRS-SDEOMPJWSA-N 447.947 5.996 30 10 IKEE CCOc1ccc(NC(=O)C2=C(SCc3ccccc3)C(=O)c3ccccc3C2=O)cc1 66323721 MBHDYJFZHRPJDI-UHFFFAOYSA-N 443.524 5.291 30 10 IKEE CN1/C(=C2\S/C(=N\CCc3ccccc3)N(C3CCCCC3)C2=O)Sc2ccccc21 97963950 XXKXHEMQEIRIBP-ATEBTNOTSA-N 449.645 5.904 30 10 IKEE CCCCCCCOc1ccc(OC(=O)c2ccc(-c3ccc(CCC)cn3)cc2)cc1 97998414 YAQVLGMAXBXGFO-UHFFFAOYSA-N 431.576 7.270 30 10 IKEE C=CCN1C(=O)/C(=C/c2c[nH]nc2-c2ccccc2)S/C1=N/c1cccc2ccccc12 101021695 VYMUYBLJFBERLX-GTNDZFBQSA-N 436.540 6.020 30 10 IKEE COc1cc2c(cc1OC)/C(=C\C(=O)c1cc(-c3cccs3)nc3ccccc13)NCC2 102622736 BMVIHEOIHXECFC-RCCKNPSSSA-N 442.540 5.350 30 10 IKEE CCC[C@H](CS)COc1c(Br)cc(Br)cc1Br 127127675 SCPPJEXFWFXFJT-QMMMGPOBSA-N 447.030 5.699 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(OC)cc2)cc1 169921715 SFKBVTXBVQGPMO-QHCPKHFHSA-N 447.462 5.016 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccc(C)cc2)c1 169934663 SZWKSQMOKUUHPY-XMMPIXPASA-N 439.467 5.533 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccccc2)cc1 170052638 OJZQZQHPZHNQTI-DEOSSOPVSA-N 427.500 5.485 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccc(C(C)C)cc2)ccc1F 170067483 BAMNTGIYDYEWET-DEOSSOPVSA-N 444.506 5.431 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2c[nH]c3ccccc23)cc1 170073752 MFEVYFJYBXNRFD-HSZRJFAPSA-N 442.446 5.099 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(OC)cc1 170116754 OIMIEXHZZZWMQQ-XMMPIXPASA-N 429.516 5.617 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 170150167 CAPUUCFKZBYWJA-FQEVSTJZSA-N 446.374 6.279 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2cccs2)c1 170156085 DKEPITKRGOBBPI-HSZRJFAPSA-N 447.556 5.935 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2cccs2)c1 170156237 YCAUEAFRIPBUGC-QHCPKHFHSA-N 447.556 5.935 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1cccs1)c1cccc2ccccc12 170162830 UUKNUGPWGJHWKE-QFIPXVFZSA-N 426.497 5.075 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccs2)c(OCC)c1 170166541 QTNKQQAWZDLSJJ-OAQYLSRUSA-N 441.549 5.066 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cccnc1 170194294 XYXXCQJNIPKEOH-HSZRJFAPSA-N 432.564 5.599 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccncc2)cc1C 170202395 OCASGPWRDPXFAV-RUZDIDTESA-N 434.495 5.635 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccncc2)cc1C(C)(C)C 170209239 OKMTWBXIUPNGAU-QHCPKHFHSA-N 448.563 5.299 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@@H]1c1cccc2ccccc12 170221265 UGEPYQBSHGWZDD-QFIPXVFZSA-N 449.934 5.799 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(F)c4)[C@@H]3c3ccccc3)oc12 170222887 VWTKTXMLTYBRGA-JOCHJYFZSA-N 443.430 5.363 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@@H]1c1ccccc1 170225584 JUWYHHHKGIDGNC-XMMPIXPASA-N 443.499 5.104 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4)[C@@H]3c3ccccc3C)oc12 170272279 ABJIFIIHRDICCP-HSZRJFAPSA-N 439.467 5.533 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccco2)cc1C(C)(C)C 170286144 LCBOYENYDBQYLW-HSZRJFAPSA-N 445.515 5.759 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cn(C)c3ccccc23)cc1C 170395282 LZPJSUPPSDBYEP-QHCPKHFHSA-N 442.540 5.640 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(Cl)cc2)cc1 170453686 XWGLDJKRTSESLK-OAQYLSRUSA-N 440.971 5.701 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)C(C)C)[C@H]1c1cccc(Oc2ccccc2)c1 170456681 MEVLPCBXXWYWAC-XMMPIXPASA-N 427.500 5.912 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(Cc2ccc(C(=O)O)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 170468252 ZGFIKQROKUDZMP-OAQYLSRUSA-N 449.547 5.193 30 10 IKEE CC/N=C1\C[C@@H]2Oc3cc(NCC)c(C)cc3[C@H](c3ccccc3C(=O)OCC)[C@@H]2C[C@@H]1C 199291584 YLTLQPNBMWEMHP-CSZWHNBDSA-N 448.607 6.003 30 10 IKEE Cc1cccc(Cl)c1OCc1ccc(/C=N/Nc2nnc(SCc3ccco3)[nH]2)o1 253578083 XWCDQINVIPKSLQ-LSHDLFTRSA-N 443.916 5.270 30 10 IKEE CCCN1C(=O)/C(=C2\C=Cc3ccccc3N2CC)SC1=Nc1ccc([N+](=O)[O-])cc1 254441255 OJAMXJLLMCHAIR-RTPXDPCMSA-N 434.521 5.333 30 10 IKEE CCOc1ccc2oc(C(=O)N3/C(=N\[C@@H]4CCCC[C@H]4C)SCC3(C)C)c(C)c2c1 254482461 PQJDUCOVWJQBMP-VQEMBARDSA-N 428.598 6.042 30 10 IKEE CN1/C(=C2\SC(=Nc3cccc(O)c3)N(C3CCCCC3)C2=O)Sc2ccccc21 254487968 FNCMHXRZFSKYSF-QLMUGPIMSA-N 437.590 5.699 30 10 IKEE N#Cc1cccc(NC(=O)Cc2csc(SCc3ccc(Cl)cc3Cl)n2)c1 585161608 YSXZCMWKXQTJEK-UHFFFAOYSA-N 434.373 5.795 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C3CCCCC3)C[C@H]2C1 698355816 WJOFOYGWZKIQLL-XHNVNVPESA-N 447.620 5.486 30 10 IKEE CN(C)c1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)cc1 698447207 SOAGVRPGHFSYFX-IBGZPJMESA-N 430.346 5.521 30 10 IKEE CC(C)(C)OC(=O)N(C[C@H]1CCCO1)[C@@H](C#N)c1cc(Cl)ccc1Br 698469130 GCRSFTQIMWZVHL-CJNGLKHVSA-N 429.742 5.083 30 10 IKEE CCOc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)cc1 698481809 KVLCAEVMJMFVIW-IBGZPJMESA-N 431.330 5.854 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@]1(C#N)CCc2ccc(Br)cc21 698852844 SQWBCBIPPSBUGL-NRFANRHFSA-N 447.760 6.209 30 10 IKEE CCCCCCCCCC[C@H](NC)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 705506731 TUQHQYQKVXBVEF-PZUNEJSGSA-N 448.692 6.604 30 10 IKEE C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@](C)(O)CO2 725418168 UVEDYXGUXIAODK-BGESJXFFSA-N 428.613 5.037 30 10 IKEE CCc1ccc(N=C2S/C(=C\c3ccccc3O)C(=O)N2c2ccc(CC)cc2)cc1 1082936808 NHURAULZIVKKES-SIFMURAYSA-N 428.557 6.326 30 10 IKEE CC(=NN1C(=O)CN(Cc2ccccc2)[C@H]1c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 1084148821 NWUZMMIKVPHCJT-XMMPIXPASA-N 448.910 5.015 30 10 IKEE O=[N+]([O-])c1ccccc1C=NNc1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)s1 1084188333 QAINASOYXBBWNA-UHFFFAOYSA-N 434.908 6.485 30 10 IKEE COCCN1C(=O)/C(=C/c2ccc(-c3ccc(C(C)=O)cc3)o2)SC1=Nc1ccccc1 1084334554 OIOFWBZESKJEDA-ZYITZIQLSA-N 446.528 5.400 30 10 IKEE CC/N=C1\S/C(=C\c2ccc(Br)cc2)C(=O)N1N=Cc1ccc(C)cc1 1084437706 UVFWNRVHTCTAGT-FIRHVUKTSA-N 428.355 5.084 30 10 IKEE C[C@H]1CC(=Nc2ccc(F)cc2F)c2cc(F)ccc2N1C(=O)c1ccc(F)c(F)c1 1088669524 NLYONCCINBSILT-LBPRGKRZSA-N 430.376 5.942 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=Nc1cccc(C)n1 1772734854 FKLIVAPXALQYSF-VASVRFFCSA-N 446.488 5.348 30 10 IKEE COc1ccc(OC)c(/C=C2\SC(=Nc3cccc(C)n3)N(c3ccccc3)C2=O)c1 1772738412 RRIAAQXOKKENLR-POLMPROESA-N 431.517 5.216 30 10 IKEE COc1ccccc1/C=C1\SC(=Nc2cccc(C(=O)O)c2)N(C2CCCCC2)C1=O 1772738430 VRMDYDMXZMXHDG-AQAUNXFGSA-N 436.533 5.330 30 10 IKEE CCN1C(=O)/C(=C\c2c(F)cccc2Cl)SC1=Nc1nc(-c2ccccc2)cs1 1772738816 RJOCKRYWIRHLST-SPXSAIPKSA-N 443.956 6.227 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)CCCc2ccc3c(c2)CCCC3)nc2ccccc12 1859656901 ICSSLVNANMUDCP-UHFFFAOYSA-N 449.558 5.441 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CC)NC(=O)c1ccc2nc(Cc3ccccc3)[nH]c2c1 1860970697 REKDJGUBQOIOKC-JOCHJYFZSA-N 448.611 5.139 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)c1cccc(Cl)c1)c1ccccc1 1861043431 CZUFQRAVXDZEKS-QHCPKHFHSA-N 429.004 6.068 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(CCCC)cc2)n(-c2cccc(Cl)c2)n1 1862334836 NXLIVUFOLSLCJM-UHFFFAOYSA-N 433.983 6.350 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc3c(c2)CCCC3)n(Cc2cc(C)ccc2C)n1 1862359145 JZBKNNUIEPXJBD-UHFFFAOYSA-N 439.603 5.908 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(O)c(OC)c2)cc1 1862397775 SBNNPCHDURGZFT-XMMPIXPASA-N 449.547 5.264 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1cccc(Cl)c1 1862417759 ZJJUZRCSDRNVGM-WHIIXXIBSA-N 445.893 5.775 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1CCC1=CCCCC1 1862442405 IXANOVGCNXIBCM-QHCPKHFHSA-N 435.951 6.117 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(C(C)(C)C)cc1 1862449918 VSMQXKBLPHUAJX-JOCHJYFZSA-N 439.983 6.406 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CC)cc1 1862454546 ZXVQSLWQEJPZLY-NRFANRHFSA-N 427.928 5.507 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OCC)cc1 1862478619 MAKXELHJXXEWEX-WIOPSUGQSA-N 449.591 6.331 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(C(=O)O)cc1 1862478726 PFUNTYCZWHBHAN-HSZRJFAPSA-N 449.547 5.632 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc3c(c2)CCCN3C)cc1 1862481914 HNVGLNSSJRYLDX-DEOSSOPVSA-N 432.564 5.002 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2ccc(F)cc2)c1 1862490436 VSZGETTWNUQELF-JOCHJYFZSA-N 435.520 5.325 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccccc2F)ccc1F 1862502377 YFWOVXLYKOMEBX-QFIPXVFZSA-N 425.475 5.574 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 1862531578 QPMNHTKRTZCPQR-DEOSSOPVSA-N 448.607 5.077 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(OCCC)cc1 1862563576 GVHMJNLTXTXTLJ-HSZRJFAPSA-N 436.552 5.216 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862581389 GXUUSDABLAUGJQ-ZUOKHONESA-N 432.347 5.933 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CC)cc1 1862622818 IFAMLNBQUFORLM-HSZRJFAPSA-N 434.580 5.429 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CC)cc1 1862656681 LOKIZXOBLRNPEO-VWLOTQADSA-N 443.543 6.007 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccccc2Cl)cc1 1862659999 DMPMQMMDOTUYMD-QHCPKHFHSA-N 446.934 5.637 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2cc(Cl)cc(Cl)c2)c1 1862706274 SFZKSANHYBSOGK-FQEVSTJZSA-N 448.346 5.626 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(F)cc2)C1=O 1862750568 CBOXJHAOTGGOEM-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(OC(C)C)cc2)=C(c2ccc(C)cc2)C1=O 1863265177 UVHOLNLIHVUQNR-UHFFFAOYSA-N 448.607 6.335 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(Cl)cc2)=C(c2cccs2)C1=O 1863472319 ZRSQWNWHMPSEGD-UHFFFAOYSA-N 445.028 6.734 30 10 IKEE CC[C@H](C(=O)N[C@H](C(=O)Nc1ccccc1C#N)c1ccccc1)c1ccc(Cl)cc1 1866950501 OUVKHDCPRSCQTO-GMAHTHKFSA-N 431.923 5.201 30 10 IKEE C[C@H]1c2[nH]cnc2CCN1c1cc(Nc2cccc(C#N)c2)nc(-c2ccc(Cl)cc2)n1 1868424090 OCHGRAKHIQDRQV-HNNXBMFYSA-N 441.926 5.259 30 10 IKEE Cc1nc(SCc2cc(=O)c(OCCC(C)C)cn2CC(C)C)c(C#N)c(C)c1C 1870233811 JKXWZOSUPQZPIB-UHFFFAOYSA-N 427.614 5.413 30 10 IKEE CCCCCCCCn1cc(OCCCCCCC)c(=O)cc1CSc1ncccn1 1870251908 WNGWDRMAFVVYIV-UHFFFAOYSA-N 445.673 6.640 30 10 IKEE CCCCCCCOc1cn(Cc2ccncc2)c(CN2C[C@@H](C)C[C@@H](C)C2)cc1=O 1870412723 HPQREKXPYLVAAT-SZPZYZBQSA-N 425.617 5.119 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2c(F)cccc2Cl)cn1CCC(C)C 1870638429 MIMBSVCSCLQHSF-UHFFFAOYSA-N 432.967 5.440 30 10 IKEE C=CCn1cc(OCCCOc2ccc(Cl)cc2)c(=O)cc1CN(CCC)CCCC 1870779090 QYXBFAOFIIWOFM-UHFFFAOYSA-N 447.019 5.548 30 10 IKEE C=CCOc1cn(Cc2ccc(C)cc2)c(CNc2cccc(C(F)(F)F)c2)cc1=O 1870813942 MKTUIXLNGJHQNX-UHFFFAOYSA-N 428.454 5.401 30 10 IKEE C=CCn1cc(OCCCOc2ccc(CC)cc2)c(=O)cc1CNc1ccc(C)c(C)c1 1870881027 MMKCPUFRHZRLLR-UHFFFAOYSA-N 446.591 5.674 30 10 IKEE C=CCn1cc(OCCOc2ccccc2)c(=O)cc1CNc1cccc(C(C)(C)C)c1 1871046321 ZTZJDASEISWOSX-UHFFFAOYSA-N 432.564 5.402 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCC)c(=O)cc1CNc1ccc(CC)cc1 1871147887 KXWADOTXMNUGNE-UHFFFAOYSA-N 442.600 5.325 30 10 IKEE Cc1cc(OC(=O)c2ccccc2[N+](=O)[O-])cc2c1C(=O)/C(=C/c1ccccc1Cl)O2 1871370924 IBOOJVVYGJXIJE-JAIQZWGSSA-N 435.819 5.392 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OC(=O)c3cc4ccccc4oc3=O)cc(C)c2C1=O 1871379582 VBOQPCAXDLEFNF-QRVIBDJDSA-N 438.435 5.245 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OC(=O)c4cc(Cl)ccc4Cl)c3C)C2=O)c1 1871381016 IZKZBAPVHFTWEF-NHDPSOOVSA-N 439.294 6.446 30 10 IKEE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871388234 KQYCJLDXLFLARK-QRVIBDJDSA-N 434.875 5.963 30 10 IKEE CC(C)C(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)c1 1871390055 CIHPJEGQRXVJDH-FMCGGJTJSA-N 446.430 5.223 30 10 IKEE COc1ccc2c(c1)c(/C=C1\Oc3c(CN4CCC[C@@H](C)C4)c(O)cc(C)c3C1=O)cn2C 1871396589 NYNSLFMSBLMLKB-CACIFTLBSA-N 446.547 5.049 30 10 IKEE Cc1cc(OCCc2ccccc2)cc2c1C(=O)/C(=C/c1cc(Cl)cc3c1OCOC3)O2 1871400126 JTIDXNZPLJBMSX-FMCGGJTJSA-N 448.902 5.753 30 10 IKEE Cc1cc(OCC(=O)NC2CCCCC2)cc2c1C(=O)/C(=C/c1cccc(Cl)c1)O2 1871438319 ULEIONVGPPYYEV-MTJSOVHGSA-N 425.912 5.092 30 10 IKEE COc1cccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2cccc(Cl)c2)C3=O)c1 1871442095 ZGAXBBBILSRJDJ-UUYOSTAYSA-N 449.890 5.291 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1C)[C@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872441724 SDHSUNKUVIINSX-HOYKHHGWSA-N 442.625 5.232 30 10 IKEE N#C[C@@H](C(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc3c(c2)CCCC3)cs1 1872761166 HRQWUSOGMAZKSH-SFHVURJKSA-N 437.908 5.741 30 10 IKEE CN(C)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 1872763069 DCBJMYOVWBHSIK-QGZVFWFLSA-N 426.339 5.129 30 10 IKEE CCc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 1872773786 YGHGBUGMSUKIFD-LJQANCHMSA-N 434.517 5.137 30 10 IKEE N#Cc1nc(Cc2cccc3ccccc23)oc1N/N=C/c1ccc(O)c(Br)c1 1873464054 VIVBUPHOGGAUKF-DHRITJCHSA-N 447.292 5.204 30 10 IKEE COc1ccc(/C=N/Nc2oc(-c3ccccc3)nc2C#N)cc1OCc1ccc(C)cc1 1873470513 JRLQBXUONBIBFO-LQKURTRISA-N 438.487 5.555 30 10 IKEE C=CCn1c(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc2c(N(CCCC)CCCC)ncnc21 1873561928 GDVPBUDBAWHYAZ-PMACEKPBSA-N 425.621 5.142 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)Nc1cc(Cl)ccc1C)n2Cc1ccccc1 1873612592 CUPJIDFHIDQXOI-UHFFFAOYSA-N 431.927 5.292 30 10 IKEE C=CCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1/N=C/c1cccnc1 1874194066 WCPSABLNRYTKTO-MFKUBSTISA-N 441.988 5.115 30 10 IKEE CCCSc1nnc(Cc2ccc(OCC)cc2)n1/N=C/c1cc(Cl)ccc1O 1874304457 ZTYQUKJNYGTREP-OEAKJJBVSA-N 430.961 5.011 30 10 IKEE Fc1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SCc2ccc(F)cc2)cc1 1874373193 BXDVXJMLOITMTF-MZJWZYIUSA-N 438.478 5.461 30 10 IKEE Cc1ccsc1/C=N/n1c(CC2CCCCC2)nnc1SCc1ccccc1Cl 1874408417 WAIOCAYOGDDCKO-ZVHZXABRSA-N 445.057 6.599 30 10 IKEE Clc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2-c2cccs2)cc1 1874422801 GBLHSZZLJNJCLL-FSJBWODESA-N 445.400 6.488 30 10 IKEE Clc1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2ccccc2)c(Cl)c1 1874424587 SOBCLNMFDBIVIZ-FSJBWODESA-N 445.400 6.488 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2cn(C)c3ccccc23)cc1 1874425292 AHEHPIUKHJSJKD-JVWAILMASA-N 437.572 5.920 30 10 IKEE Clc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2[C@H]2CCCO2)cc1 1874445985 PUMHMPRPZVOITC-BYWZACNXSA-N 433.364 5.611 30 10 IKEE CCc1nnc(SCc2ccccc2C)n1/N=C/c1cc(Br)ccc1F 1874522174 GIJCZJTWXMBCNX-SSDVNMTOSA-N 433.350 5.225 30 10 IKEE Cc1cc(OCCCc2nnc(S)n2/N=C/c2ccc(Cl)cc2)cc(C)c1Cl 1874571154 YTUYJWCPBZKXEI-FSJBWODESA-N 435.380 5.384 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3cc(C)ccc3C)c2)cc1OC 1874594072 QISZXYXLJRGWBK-ZRDIBKRKSA-N 445.515 5.234 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccccc3)c2)c(OCC)c1 1874600619 VJTXYVXQDDBHKZ-DTQAZKPQSA-N 445.515 5.398 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OCc1cccc(C)c1 1874603836 HSRIUFAQOIXTLQ-RVDMUPIBSA-N 426.556 6.748 30 10 IKEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 1874605681 ACYQFVWQCWCWFX-XVNBXDOJSA-N 438.263 5.130 30 10 IKEE Cc1ccccc1COc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1Cl 1874609728 GQDXDZHTTANETG-PKNBQFBNSA-N 441.752 6.886 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)c(Cl)c1 1874633264 UMTCUJZPRGQLQI-UXBLZVDNSA-N 441.354 7.094 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3cc(C)ccc3C)c(OC)c2)cc1Cl 1874636717 OVOXOODHVKQZML-JXMROGBWSA-N 436.935 6.449 30 10 IKEE COc1cccc(C(=O)/C=C/c2cccc(OC(=O)Cc3cc(Cl)ccc3Cl)c2)c1 1874695143 MOCYGHVKMNQUPF-DHZHZOJOSA-N 441.310 6.046 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1cccc(/C=C/C(=O)c2ccc(Cl)cc2)c1 1874700745 KEMKOLKGMFRCIY-XNTDXEJSSA-N 436.891 5.619 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OC(=O)C(C)C 1874709235 BLGNFTBZHSMGFE-FNORWQNLSA-N 439.252 5.193 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc1OC(=O)c1cccnc1 1874718905 PVMMOIWJVWXZLU-FMIVXFBMSA-N 439.467 5.367 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OC(=O)COC 1875105803 NOTVZSJEAPHENY-RMKNXTFCSA-N 435.303 5.178 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(Cl)cc3)cc2)cc1 1875105876 QRGBBCKDSRPSSU-GIJQJNRQSA-N 448.946 6.563 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3Cl)cc2)cc1OC 1875111459 IVYBPANQILQVJK-UKTHLTGXSA-N 436.891 5.401 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)[C@@H](C)c3ccccc3)c(OC)c2)cc1 1875112609 LURJSHRJTHTIIW-KAPURRDVSA-N 446.499 5.318 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)CSc1ccccc1 1875120411 SHEQIIDTNVQKIY-WYMLVPIESA-N 434.513 5.298 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC(=O)c1ccc(F)cc1F 1875122377 LIHOIOFVTLKPQW-YCRREMRBSA-N 444.380 5.757 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)c1ccccn1 1875122649 SMYXXEMDKXEYET-DHZHZOJOSA-N 435.426 5.212 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(-n4cccc4)cc3)cc2)cc1 1875129780 TWIZCBIHFXKDII-CNHKJKLMSA-N 437.495 5.991 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)c(Cl)c3)cc2)c1 1875133826 DMWIWIABTPULHS-KPKJPENVSA-N 427.283 6.117 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3OC)cc2)c1 1875143967 ZSWMQSVQUYQLTR-XYOKQWHBSA-N 446.499 5.065 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1Br 1875158470 XRDTYZHYJGYWLE-WUXMJOGZSA-N 439.280 6.012 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc(Cl)c1OC(=O)CC(C)C 1875169739 QPEKIUMALUAIGI-BQYQJAHWSA-N 430.928 5.822 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OC 1875178873 GTSQRZKFVWYQFY-SDNWHVSQSA-N 444.527 5.755 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)C(C)(C)C)c(OCC)c2)c(OCC)c1 1875179483 MAIIVMFCVLERSF-GXDHUFHOSA-N 440.536 5.730 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C=CC(=O)c2c(F)ccc(Br)c2F)cc1 1912109269 RDUDWZXZHFPHAT-UHFFFAOYSA-N 438.268 5.970 30 10 IKEE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccc(C#N)c1 1984696243 WZWWCGQYMZFBEA-VWLOTQADSA-N 439.515 5.060 30 10 IKEE C=CCC(C)(C)OC(=O)c1cc(I)cc(NC(=O)OC(C)(C)C)c1 2014042904 NIMHKDNMMHXYST-UHFFFAOYSA-N 445.297 5.150 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2016232139 ZIWIOZZFGARWOE-MHECFPHRSA-N 435.609 5.486 30 10 IKEE CCc1cc(Br)c([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)s1 2029266333 CXFXDYCJAYKIFK-MRXNPFEDSA-N 427.408 6.207 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)c1 2031660419 NDFDHPURPJWSDT-FQEVSTJZSA-N 441.503 6.179 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1 2032042456 GJNREELXPQOTJE-BSWQBHCVSA-N 441.572 5.276 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@]2(C#N)N(C(=O)OC(C)(C)C)C2CCCC2)C1 2038636291 CEEDPLBWTVBEKR-JWQCQUIFSA-N 447.620 5.630 30 10 IKEE Fc1ccc(Cn2nc(C3CCC3)c(Br)c2C(F)(F)F)c(C(F)(F)F)c1 2078994568 PDFZRVVIZKMWOA-UHFFFAOYSA-N 445.176 6.138 30 10 IKEE CC[C@H](c1ccc(C)cc1C)n1nc(C(C)C)c(/C=N/O)c1I 2079023933 WPLDPGCTAHYYQF-OVEPSTSESA-N 425.314 5.035 30 10 IKEE CCN[C@](C#N)(CCN(CCN(C)Cc1ccccc1)Cc1ccccc1)c1ccccc1 2095878505 ZWCJGWMWIRPBPP-LJAQVGFWSA-N 440.635 5.039 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Cl)c(Br)c1F 2102886049 AZCFNZWHLNQQNL-YOEHRIQHSA-N 447.776 5.199 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]1CCCNc1cc(Br)cc(F)c1C#N 2107445094 UYKSURVVLGGQJJ-CQSZACIVSA-N 426.330 5.051 30 10 IKEE COc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)c(C)n1 2157051233 KJCUBSPFONQFGH-QGZVFWFLSA-N 432.318 5.168 30 10 IKEE N#Cc1c(F)cc(Br)cc1Nc1ccc(Br)c(Cl)c1Cl 2163685236 CEFZYHNQNMEDCZ-UHFFFAOYSA-N 438.909 6.273 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCN[C@@H](C2CCC2)C1 2194158683 NHAALHUIGPSALY-WIYYLYMNSA-N 434.378 5.005 30 10 IKEE CC#CCCCC[C@H](NCCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2196175041 UKZDRQRFBXMEBJ-IBGZPJMESA-N 437.422 6.421 30 10 IKEE C=CCC[C@](C)(CO)N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCCC1 2211069487 ONZAROWEEDVITM-GDLZYMKVSA-N 447.619 6.678 30 10 IKEE C#C[C@H](c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)N1CCCN(C)CC1 2270456133 AKRWVIBZVNXDNL-HHHXNRCGSA-N 440.587 5.156 30 10 IKEE C=CC[C@]1(COc2ccc(Br)cc2N)CCCN(C(=O)OC(C)(C)C)C1 2272239277 VTMDQRYIDWPZJI-FQEVSTJZSA-N 425.367 5.004 30 10 IKEE O[C@@H](C#Cc1cccc(Br)c1)c1ccc(Br)cc1Br 2278781185 JPIYTHSOVXKASC-HNNXBMFYSA-N 444.948 5.059 30 10 IKEE CCCCCCCOc1ccc(C=C[C@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1 2296623245 RJNNANDABJZSRA-NDEPHWFRSA-N 432.608 6.063 30 10 IKEE CN(C)c1ccc(C=CC(=O)c2c(O)nc3ccc(Cl)cc3c2-c2ccccc2)cc1 2297167380 CNAACLSLMFVRAX-UHFFFAOYSA-N 428.919 6.223 30 10 IKEE Cc1cc2c(N)c(C(=O)Nc3ccc(C(=O)C=Cc4cccs4)cc3)sc2nc1C 2297556885 NEUCLWACJNRNQV-UHFFFAOYSA-N 433.558 5.705 30 10 IKEE COC(=O)c1ccc(Cl)c(-c2ccc(C=C3SC(=Nc4ccccc4)NC3=O)o2)c1 2297559947 YLAFORKVHYADGE-UHFFFAOYSA-N 438.892 5.278 30 10 IKEE Cc1c(OCC(=O)OC(C)(C)C)ccc2c1OC(=Cc1ccc(Br)cc1)C2=O 2321734583 DZFNKMRXWBVEIF-UHFFFAOYSA-N 445.309 5.094 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc4c3CN(CCOc3cc(C)cc(C)c3)CO4)C2=O)cc1 2322193173 QSVCBHDJYLPVKW-UHFFFAOYSA-N 441.527 5.459 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCCc2ccccc2)cc1F 2322708469 GGVGPUBYNFRJIG-UHFFFAOYSA-N 440.898 6.014 30 10 IKEE O=C(C=Cc1c(OCc2cccc(Cl)c2)ccc2ccccc12)c1cccc2ccccc12 2322722943 HNKWJKULUISPQY-UHFFFAOYSA-N 448.949 8.122 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCc2c(Cl)cccc2Cl)c(C)c1C 2322810029 BINFNSKJMTTWSW-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE Cc1c(OC(=O)Cc2cccs2)ccc2c1OC(=Cc1c(F)cccc1Cl)C2=O 2322872209 AYTHCLOABSQQQJ-UHFFFAOYSA-N 428.868 5.613 30 10 IKEE COc1ccc(CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2Cl)C3=O)cc1 2322904283 DGLMMWDJTIIWCU-UHFFFAOYSA-N 434.875 5.421 30 10 IKEE CCCOC(=O)COc1ccc(Br)cc1C=CC(=O)c1c(C)cc(C)cc1C 2322945269 KFJDEWCIIMJNMZ-UHFFFAOYSA-N 445.353 5.602 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1OCc1cccc(F)c1 2323040501 OEWWJQGRSZNRGL-UHFFFAOYSA-N 438.498 6.976 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1C 2323248228 QUVILYLBYAIWJO-UHFFFAOYSA-N 426.512 6.571 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OCc1ccc([N+](=O)[O-])cc1 2323437747 URRSVLSGAKYFPR-UHFFFAOYSA-N 443.499 5.957 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O)c1ccc(-n2cccc2)cc1 2323675434 MJQPATOSQWMJTB-UHFFFAOYSA-N 433.463 5.869 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc2c(c1)OC(=Cc1ccc(Br)cc1)C2=O 2323720524 GHNDZRABVOGODF-UHFFFAOYSA-N 449.300 5.604 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2)C3=O)cc1 2323887692 SBUHOZAPPFKXFZ-UHFFFAOYSA-N 428.440 5.146 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(OC)c1OCCc1ccccc1 2323985501 LNPOJURAYPDEKW-UHFFFAOYSA-N 430.519 6.389 30 10 IKEE O=C(C=Cc1ccc(OCc2nc(O)c3ccccc3n2)cc1)c1cccc2ccccc12 2324128357 REQPDHPQRGWXGS-UHFFFAOYSA-N 432.479 5.964 30 10 IKEE Cc1cc(O)c(CN2CCOc3ccccc32)c2c1C(=O)C(=CC=Cc1ccccc1)O2 2324156432 NCRIHNVHODPNQQ-UHFFFAOYSA-N 425.484 5.272 30 10 IKEE CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(C)cc2)C3=O)cc1 2324521442 YWRAULOYZJTBIU-GOSISDBHSA-N 443.499 5.416 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc(OC)c1OCCCO 2324521629 BGKSJCUTDGEKBB-UHFFFAOYSA-N 430.928 5.051 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OCc2ccc(F)cc2)c(Cl)c1 2324534984 XLETUOXNYAYNPZ-UHFFFAOYSA-N 445.317 6.925 30 10 IKEE CCc1ccc(OCCCOc2ccc3c(c2C)OC(=CC=Cc2ccccc2)C3=O)cc1 2324665507 DGADFXXXMMZJGF-UHFFFAOYSA-N 440.539 6.578 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2N=Cc2cccc(C)c2)cc1 2325435591 WGWRPKZANCBMKX-UHFFFAOYSA-N 426.589 5.855 30 10 IKEE Cc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2325631477 BIPMVHZYZCGQCG-UHFFFAOYSA-N 437.912 5.476 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC(=O)CCCOc3ccccc3)c2)cc1 2325711754 UOGHKNWQAYCFHJ-UHFFFAOYSA-N 442.555 6.690 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4Cl)ccc3C2=O)cc1 2325717911 NRUKCPUWOHNKEA-UHFFFAOYSA-N 433.891 5.536 30 10 IKEE Cc1c(OCC(=O)Nc2ccccc2Cl)ccc2c1OC(=Cc1ccc(F)cc1)C2=O 2325718140 JPSUVDOFLBDRGS-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE CCc1cccc(CC)c1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccc(C)o1)C2=O 2325719221 SCDYGKWFGKSTHI-UHFFFAOYSA-N 445.515 5.655 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1OC(=O)COc1cccc(C)c1C 2325750880 AWDKFOCHEPGPCS-UHFFFAOYSA-N 434.463 5.332 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cccc(OC(=O)c2cccc(Cl)c2)c1 2325763580 QQBINVOYQALYLT-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)CCc3ccc(Cl)cc3)c2)c(C)c1 2325764763 DIFJLAXXZDWDBJ-UHFFFAOYSA-N 432.947 6.700 30 10 IKEE CCSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1ccc(C(C)C)cc1 2325912293 FPXGQYCXCCGINU-UHFFFAOYSA-N 449.407 6.282 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(Cl)c(Cl)c1 2326358275 JBJBWKDMUKVWIJ-UHFFFAOYSA-N 439.799 6.365 30 10 IKEE CCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(OC(C)C)c(Cl)c1 2326731209 REDCMGXDZAPEJI-UHFFFAOYSA-N 432.952 5.595 30 10 IKEE Cc1ccc(C=Nn2c(CCOc3ccccc3)nnc2SCc2cccc(C)c2)cc1 2329167556 YXHREQWRXROJAX-UHFFFAOYSA-N 442.588 5.691 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2N=Cc2ccccc2O)cc1 2329382874 MKOFMPSHXJDZIJ-UHFFFAOYSA-N 442.588 5.674 30 10 IKEE Cc1cccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)CCCC4)cc2)c1C 2330678421 GIEYZCIQTUQRKB-UHFFFAOYSA-N 440.539 6.063 30 10 IKEE COc1ccccc1C=Nn1c(CC(C)(C)C)nnc1SCc1ccc(Cl)cc1 2330865775 FSCMXDYGEYLAHO-UHFFFAOYSA-N 428.989 5.703 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(OC)c1OC(=O)c1cncc(C)c1 2330911541 CHTOWISZFAUMLR-UHFFFAOYSA-N 437.879 5.176 30 10 IKEE Fc1cccc(C=Nn2c(SCc3cccc4ccccc34)nnc2[C@H]2CCCO2)c1 2330977134 UDHAGTHYLVJNAJ-JOCHJYFZSA-N 432.524 5.596 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(C3CCCC3)n2N=Cc2cccc(F)c2)cc1 2331051031 FZTCJXDHHFOQTI-UHFFFAOYSA-N 425.489 5.158 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc(C)cc(C)c3)c(Cl)c2)cc1 2331195713 ZBAJLADSUOCZGF-UHFFFAOYSA-N 434.919 6.471 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccco3)n2N=Cc2ccccc2C(=O)O)c1 2331208440 MAUGJMGVPSMLAW-UHFFFAOYSA-N 432.505 5.028 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(Br)c(OC(C)=O)c(OCC)c2)cc1 2331310775 HQEABLYKEUKIRI-UHFFFAOYSA-N 447.325 5.458 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)c1ccccn1 2331562908 ZNFBXRWUFFEOSO-UHFFFAOYSA-N 443.833 5.527 30 10 IKEE CCCc1nnc(SCc2ccccc2C)n1N=Cc1cc(Br)ccc1O 2331633382 SDKZFXSSKVAHRA-UHFFFAOYSA-N 445.386 5.182 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)c1ccncc1 2331668603 DVFMKNWYLGOWEO-UHFFFAOYSA-N 431.488 5.221 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)C(C)(C)C)c(Cl)c2)c1 2331674990 SZVCHJHDEANOGB-UHFFFAOYSA-N 430.928 5.985 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)ccc1OC(=O)c1ccco1 2331750525 LYOWDNWQODSVBR-UHFFFAOYSA-N 440.879 5.764 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3c(C)cc(C)cc3C)cc2[N+](=O)[O-])cc1 2331768927 JRUNWWIAWFHUQA-UHFFFAOYSA-N 445.471 5.644 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccccc3C)c([N+](=O)[O-])c2)c(C)c1 2331769778 SWWQREGOZIRHRN-UHFFFAOYSA-N 429.472 5.944 30 10 IKEE N#Cc1ccc(NCc2cc(I)ccc2Cl)c(Br)c1 2352436859 YBZHHKJUCGMMSP-UHFFFAOYSA-N 447.501 5.191 30 10 IKEE COC1(C#C[C@@H](N)c2cc(NC(=O)OC(C)(C)C)ccc2Br)CCCCC1 2363630371 UILWZCOJBWOWNH-GOSISDBHSA-N 437.378 5.149 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H](Nc2ccc(C#N)c(Br)c2)[C@@H]1C(F)(F)F 2370064485 NRTVHYWUXVUQKI-LSDHHAIUSA-N 448.283 5.063 30 10 IKEE COc1ccccc1-n1c(SCc2cccc(C#N)c2)nnc1-c1ccccc1Cl 4145517 NIBQCEQNPTYJGC-UHFFFAOYSA-N 432.936 5.760 30 10 IKEE CCOc1ccc2c(c1)O/C(=C\c1cccc(OCC)c1OC(=O)c1ccccc1C)C2=O 8823765 KPWVXRKKAKXHBD-IWIPYMOSSA-N 444.483 5.628 30 10 IKEE CCCCCCn1c(SCC(=O)NC2(C#N)CCCC2)nnc1-c1ccc(Cl)cc1 11410284 BQJYOSJIJXAKRT-UHFFFAOYSA-N 446.020 5.223 30 10 IKEE O=C1/C(=C/c2cccc(Br)c2)CS/C1=C\c1cccc(Br)c1 20151941 SRRKCHWZJUBXCB-WEDCBCPPSA-N 436.168 5.952 30 10 IKEE C=CCc1cccc(/C=N/N2C(=O)c3ccccc3N[C@@H]2c2cccc(CC=C)c2O)c1O 20161170 GCSOQTVZDUNLIC-CPVAOEHFSA-N 439.515 5.155 30 10 IKEE Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OCC(C)C)cc2)C3)o1 21229793 YQCKRRBJBQFFCC-WTYVLRPYSA-N 442.559 6.602 30 10 IKEE CC(C)COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc3ccccc3c2)cc1 21252383 MJBVACDQQVSYAQ-ZCYQVOJMSA-N 439.555 5.879 30 10 IKEE CCOc1ccc(/N=C/c2c(O)c(C(=O)Nc3ccccc3OC)cc3ccccc23)cc1 27531075 AQGGKWVNVGOXIB-OGLMXYFKSA-N 440.499 5.956 30 10 IKEE O=C(/C=C\N1CCN(Cc2c(Cl)cccc2Cl)CC1)c1ccc(OC(F)F)cc1 33796079 FZZBIPFGOQZEFL-HJWRWDBZSA-N 441.305 5.109 30 10 IKEE N#Cc1cccc(C(=O)Nc2ccc(N3CCCN(Cc4cccc(Cl)c4)C3=O)cc2)c1 34733960 OVOGIBOTTXUFSF-UHFFFAOYSA-N 444.922 5.296 30 10 IKEE O=C(/C=C\c1ccccc1OC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 34955627 YVCWPMKKUKITDP-ZCXUNETKSA-N 449.462 6.377 30 10 IKEE CCOc1ccc(N/C(=N\N=C\c2ccc3c(c2)OCO3)c2ccc3ccccc3n2)cc1 39891580 LCBUOASXJGHUED-JVWAILMASA-N 438.487 5.255 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)c(C)c2)[C@H]1c1ccc(C(C)C)cc1 40091819 WDXMRJXMPZUADA-RUZDIDTESA-N 449.591 6.286 30 10 IKEE C#CCOc1ccc([C@H]2CC(=O)Nc3c(-c4ccc(OC)cc4)csc32)cc1OCC 46076276 BXYFSIPWMQVGEK-LJQANCHMSA-N 433.529 5.309 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1ccc(N(C)C(C)=O)cc1 100443304 QTSKKDADWFNNJZ-UHFFFAOYSA-N 433.662 6.183 30 10 IKEE CCCCCCCCCCCCCCCCCCCCCC(=O)N1CCc2ccccc21 100461931 GYAVYKBCOVHHRG-UHFFFAOYSA-N 441.744 9.398 30 10 IKEE CCCCCCCCOc1ccc(-c2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)cc1 100606124 HYOOUGKYJPIKNY-QHCPKHFHSA-N 429.604 7.584 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(N2CCCC[C@@H]2CC)c1N 101516717 RMXSLZSCJBHODU-DEOSSOPVSA-N 445.740 7.721 30 10 IKEE O=C1/C(=C/c2ccc(O)cc2)S/C(=N/N=C\c2ccc(Cl)cc2)N1Cc1ccco1 101916771 MQYMPGSWNVOAJK-SKPWDWTKSA-N 437.908 5.145 30 10 IKEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccc(C)cc2)cc1 103114414 LKDWWGIPGQVYER-RKKARLDVSA-N 440.524 5.539 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\Nc2cn[nH]c(=O)c2Cl)cc1OCC 169887385 POWSBYAFBLUOFW-IWIPYMOSSA-N 434.968 5.397 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@@H]1c1ccccc1OC 169945020 KTTCRLUQEHKBLQ-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2ccc(F)cc2)=C(N2C[C@H](C)O[C@H](C)C2)C1=O 169985753 CDDSTFHUZMVXCZ-BGYRXZFFSA-N 444.591 5.156 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1cccc(O)c1)c1cccc(Cl)c1 170081073 JWDXSPHFYWSPMZ-HXUWFJFHSA-N 440.282 5.482 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cn(C)c3ccccc23)c1 170085706 MDDSELZOHZISFJ-DEOSSOPVSA-N 428.532 5.316 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2sccc2C)ccc1F 170108059 ASCBMVMXGVORSW-FQEVSTJZSA-N 439.483 5.422 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2OC)cc1 170126072 DNFZBHHNVLCHGD-HSZRJFAPSA-N 435.520 5.005 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1C1CCCC1 170126131 UYUCKNYUHZLJDM-XMMPIXPASA-N 427.500 5.369 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCCOC(C)C)c1 170148292 OYNWDUJNCNWALE-RUZDIDTESA-N 443.543 5.542 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2cccs2)c1 170160634 HECYFEUNXOOXLD-QFIPXVFZSA-N 433.529 5.547 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2cccs2)cc1 170160789 UZINDOPGLTUQBM-HSZRJFAPSA-N 447.556 5.937 30 10 IKEE Cc1sc(C2=C(N)N(Cc3ccccc3OC(C)(C)C)CC2=O)nc1-c1ccccc1 170181101 CWMQDQJOJDMKID-UHFFFAOYSA-N 433.577 5.008 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccncc1 170204812 VSGVDJPEEGPCRZ-XMMPIXPASA-N 436.467 5.026 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccccc2)c1 170225419 QQMRCBOVQKACCK-RUZDIDTESA-N 441.527 5.874 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1C 170226688 KHSAHBIQSIYPRZ-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2ccccc2)cc1 170227821 JXSGEUTWUOTBDS-DEOSSOPVSA-N 443.499 5.272 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccccc1 170228825 XVKUKCIUJKNJFC-VWLOTQADSA-N 441.527 5.813 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4C)[C@@H]3c3ccccc3)oc12 170228936 BLQZLAHVPUYEJQ-HSZRJFAPSA-N 439.467 5.533 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cc(C)c(OC)cc3C)=C(O)C(=O)N2c2ccccc2)cc1 170265608 CFJYTUJQPDLVHT-RUZDIDTESA-N 441.527 5.657 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2c2ccccc2)cc1 170265618 KUJMNMMPVFZMBJ-HSZRJFAPSA-N 431.463 5.180 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1c1ccc(C#N)cc1 170272751 UEIKSFKJCFQPPG-AREMUKBSSA-N 448.522 5.528 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccco1)c1ccc2c(c1)CCCC2 170281952 PIAJPMXOQDMDEH-JOCHJYFZSA-N 435.426 5.220 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccco2)ccc1OCC(C)C 170290226 AXBQWCKJBHUXKR-XMMPIXPASA-N 445.515 5.714 30 10 IKEE Cc1nc(-c2ccccc2)sc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccco1 170295932 IWBINMWDOYAPPE-IBGZPJMESA-N 434.517 5.232 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2ccc(C)c(C)c2)o1 170301865 LRCXHNVKWMHOGJ-OSPHWJPCSA-N 443.499 5.311 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(C)o2)cc1 170302846 NKSUWNWKFDHSID-DEOSSOPVSA-N 445.515 5.940 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(C)o1 170304155 RTDCZJOJXYHSHF-DEOSSOPVSA-N 439.467 5.533 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@@H]1c1sccc1C 170318893 OUZDEYCJRUYJQB-HXUWFJFHSA-N 427.566 5.567 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2cccc(OCC(C)C)c2)=C(O)C(=O)N1C1CCCC1 170319549 IVTIBNSGVOTZIJ-OAQYLSRUSA-N 439.577 5.612 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)[C@@H]1c1ccc(O)cc1)c1cccs1 170341531 VPUJEXIUSBDNOH-GOSISDBHSA-N 445.418 5.255 30 10 IKEE CCN(CC)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2cccc(C)c2)cc1 170342996 NNFNYVCAASMJNB-HSZRJFAPSA-N 430.504 5.217 30 10 IKEE CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)C(=O)N1C 252588326 AAMCXELSFXQLKU-QGZVFWFLSA-N 436.364 5.146 30 10 IKEE CCc1ccccc1N=C1S/C(=C\c2sccc2C)C(=O)N1c1ccccc1CC 252611296 IISNDDMLSLRENI-ZYITZIQLSA-N 432.614 6.990 30 10 IKEE O=C(Nc1sc(NN=Cc2cccc([N+](=O)[O-])c2)nc1-c1ccccc1)c1cccs1 254440507 AIYSKVAHEGAKBE-UHFFFAOYSA-N 449.517 5.478 30 10 IKEE N#Cc1c(N=Cc2ccccc2Br)oc(-c2ccccc2)c1-c1ccccc1 254489887 LMTFFZBZWLWLAH-UHFFFAOYSA-N 427.301 6.998 30 10 IKEE Cc1[nH]c2ccccc2c1C=NNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 254515231 XIVDZQQARCPIPT-UHFFFAOYSA-N 434.507 5.595 30 10 IKEE COc1ccccc1N=C1S/C(=C\c2ccc(F)cc2)C(=O)N1c1ccccc1OC 254626098 DHRUPQPUPGPOQB-DRIWLZCMSA-N 434.492 5.652 30 10 IKEE C=C(CC[C@@H]1OC1(C)C)[C@H]1CC[C@@]2(C)[C@@H]1CC[C@H]1[C@H]2CC[C@H]2C(C)(C)C(=O)CC[C@]12C 263584641 XWOMRCJXZABUBD-QFNXUBQCSA-N 426.685 7.364 30 10 IKEE CC1(C)OB(CCC[C@@H](N)c2cc(Br)ccc2Br)OC1(C)C 383819619 GZTJKFOQFCOHFQ-CQSZACIVSA-N 432.993 5.084 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1Br)NCCC 406770600 XVNJLDMVASUIIL-OALUTQOASA-N 425.411 5.219 30 10 IKEE CCCOc1cccc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 526487583 CEZURIHLPZYZNN-XMMPIXPASA-N 444.918 6.058 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(C)o2)cc1OC 526517161 QIBRDTXVKIODFQ-XMMPIXPASA-N 444.487 5.314 30 10 IKEE COc1cc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(C)c2)cc(Cl)c1O 526774290 ZEZIYKUTHHUKLV-OAQYLSRUSA-N 449.890 5.146 30 10 IKEE CCOc1ccc(/C=N\n2c(CC)nnc2SCc2cc(C)cc(C)c2)cc1OCC 526809746 MOWRJLCWKFGTKT-MYYYXRDXSA-N 438.597 5.429 30 10 IKEE CCOc1ccc(/C=N\n2c(CC)nnc2SCc2cc(C)ccc2C)cc1Cl 526818550 OIQRDNUMFXMAEQ-CFRMEGHHSA-N 428.989 5.684 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccccc1[N+](=O)[O-] 526822315 WOPNAVFQAHRPOE-IWIPYMOSSA-N 431.521 5.467 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)N[C@H](C)c3ccccc3)C2)c1 585933491 VNLJOEUOLWQZRF-HYBUGGRVSA-N 448.611 5.189 30 10 IKEE C[C@@H]1CCc2c(sc3ncnc(Nc4cccc(OCc5ccc(C#N)cc5)c4)c23)C1 586473074 RAGCKTYUXIORRS-MRXNPFEDSA-N 426.545 6.010 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)C1(C#N)C2CC3CC(C2)CC1C3 698481528 ISRNYZRRBDQAAL-UHFFFAOYSA-N 431.374 5.909 30 10 IKEE CC(C)[C@H]1CCCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 698491653 ZVUHNJRIKBSOQF-DENIHFKCSA-N 435.406 6.689 30 10 IKEE CN(C(=O)OC(C)(C)C)C(C)(C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 698958447 QMSDTNUHYLBVMB-QGZVFWFLSA-N 437.968 5.619 30 10 IKEE O=C1C(=NNc2c(F)c(F)c(F)c(F)c2F)c2ccccc2N1C/C=C\c1ccccc1 1084387880 YXOIKRWTWTZPAQ-DUDYPSDJSA-N 443.375 5.258 30 10 IKEE CC(/C=C1\S/C(=N\N=C/c2ccc(O)cc2)N(Cc2ccco2)C1=O)=C\c1ccccc1 1554646090 GWPCDCHUSNSEHY-UXTFBEHYSA-N 443.528 5.438 30 10 IKEE O=C1/C(=C\c2ccccc2)S/C(=N/N=C/c2cc(Cl)ccc2O)N1Cc1ccco1 1615304928 KIZOGBULFTVMJK-BAEFYCGPSA-N 437.908 5.145 30 10 IKEE COc1cccc(NC(=S)N/N=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c1 1857811037 HWUYSITZSFXYRT-YSMPRRRNSA-N 445.523 5.008 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc3c(OC(=O)Nc4ccccc4F)cccc23)c1 1858779792 DRUCBWGPQLPTQE-UHFFFAOYSA-N 425.419 5.714 30 10 IKEE N#Cc1cccc(C(=O)NCc2ccc(OC(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1 1858913206 WEDARVZXPUSEIS-UHFFFAOYSA-N 439.393 5.118 30 10 IKEE CCc1nc2ccc(Br)cc2c(C(=O)Nc2oc(C)c(C(C)=O)c2C#N)c1C 1859655010 ABTUFOPYAYNTRX-UHFFFAOYSA-N 440.297 5.096 30 10 IKEE C=CCOC(=O)c1sc(NC(=O)c2ccc(-c3ccc(Cl)cc3)nc2C)nc1C 1859757402 QWMSCVTXTVQDIT-UHFFFAOYSA-N 427.913 5.070 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)COc1cc(Cl)ccc1Cl 1861651461 XWTWUMJHESEWRA-IBGZPJMESA-N 445.431 5.524 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(OC)cc1 1862401672 GOUKZXLBIUMPNR-HSZRJFAPSA-N 437.536 5.171 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccccc1Cl 1862446354 QHFLBCBQWXHJQJ-XWRIVVANSA-N 444.358 6.150 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C34CC5CC(CC(C5)C3)C4)[C@H]2c2ccccc2C)cc1 1862475362 KBEODLKRPLVRCA-KYRCVXBYSA-N 441.571 5.851 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2ccccc2C)cc1 1862475827 VPAZYWXCLJHZCC-QHCPKHFHSA-N 431.919 5.735 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(Cl)cc3)[C@@H]2c2ccccc2C)cc1 1862475939 XTTMHIGOQFBBMS-XMMPIXPASA-N 445.946 5.778 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2c(Cl)cccc2Cl)cc1 1862481386 DPNPSHWOMNJGHN-FQEVSTJZSA-N 442.298 5.673 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccc(Cl)cc2)cc1 1862486577 GVBNALWHCHABQU-XMMPIXPASA-N 445.946 6.044 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccc(C)c1 1862490196 PRQWCZMTFGCIBA-DHLKQENFSA-N 433.592 6.549 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2cccc(O)c2)ccc1F 1862507985 WAICQEMTTLPEPM-QHCPKHFHSA-N 437.511 5.531 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C2CC2)cc1 1862550198 FIXQPIGJGXVXJA-DEOSSOPVSA-N 431.532 5.095 30 10 IKEE CCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1cccc(C)c1 1862554763 KIDQHKVBJISSSJ-VWLOTQADSA-N 448.607 6.296 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)c1 1862559178 JEAROPKJZJDSLI-BXKMTCNYSA-N 442.515 5.007 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)cc1 1862596441 NTSAYRYZAFPWRT-VXWZWFMZSA-N 449.547 5.338 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(C(C)C)cc1 1862629424 VRPFFIUYKYIPOI-DEOSSOPVSA-N 449.547 5.697 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 1862675089 BETSZQPZCRDHPJ-HXUWFJFHSA-N 441.911 5.362 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(Cl)c2)c1 1862675447 LCFBDBQMJJBGHS-QHCPKHFHSA-N 449.909 5.874 30 10 IKEE Cc1ccc(NC2=C(c3ccccc3F)C(=O)N(c3ccccc3C#N)C2=O)cc1Cl 1862934006 HRNWLBFKFLEUAN-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE Cc1ccc(NC2=C(c3cc(Cl)ccc3Cl)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1863015980 PMPYAEZMOVQYNG-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccc(C(C)(C)C)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1863029665 UELUMDZMMLLUJW-UHFFFAOYSA-N 449.554 5.869 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(Nc2cccc(C#N)c2)=C(c2cc(C)ccc2C)C1=O 1863403194 VDEJPSXDKHMBPX-JOCHJYFZSA-N 429.564 5.726 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)NC1(c2ccccc2)CCCC1 1866030059 WUXZREHXUTWIRD-UHFFFAOYSA-N 427.717 8.834 30 10 IKEE C[C@@H]1c2ccc(C#N)n2CCN1C(=O)c1ccc(N2COc3ccc4ccccc4c3C2)cc1 1866307688 AIMRWTHFQWPYMS-LJQANCHMSA-N 448.526 5.086 30 10 IKEE CC[C@H](NC(=O)[C@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866991529 NPHBMHDPXCXYPE-PMACEKPBSA-N 432.351 5.138 30 10 IKEE Cc1ccc([C@H](C#N)NC(=O)c2cccc(N3COc4ccc5ccccc5c4C3)c2)cc1 1868024292 QPNKJTHLAWHCMN-SANMLTNESA-N 433.511 5.499 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)cc2Cl)c(=O)cc1CSCc1ccccc1 1870232488 VMCJXTBVMFJQTD-UHFFFAOYSA-N 446.399 6.354 30 10 IKEE C=CCOc1cn(CCc2c[nH]c3ccccc23)c(CNc2ccc(C)c(F)c2)cc1=O 1870809066 MZFXVOLLPBYFME-UHFFFAOYSA-N 431.511 5.197 30 10 IKEE C=CCOc1cn(CCCCCCCC)c(CNc2ccc(CC)c([N+](=O)[O-])c2)cc1=O 1870811479 BHSOUWSITGLKJT-UHFFFAOYSA-N 441.572 5.856 30 10 IKEE CCCCCCCOc1cn(Cc2cccnc2)c(CNc2ccc(Cl)cc2)cc1=O 1870830397 MDTUZGMMGAZWHT-UHFFFAOYSA-N 439.987 5.906 30 10 IKEE CCCCCCCOc1cn(CCOC)c(CNc2ccc(Cl)c(Cl)c2)cc1=O 1870832251 UVZPQXZMQADPCA-UHFFFAOYSA-N 441.399 5.763 30 10 IKEE O=C1/C(=C/c2ccco2)Oc2c1ccc1c2CN(C(c2ccccc2)c2ccccc2)CO1 1871351289 SLMSXUVNVIBGEU-XYGWBWBKSA-N 435.479 5.837 30 10 IKEE COc1ccc([C@@H](C)N2COc3cc(C)c4c(c3C2)O/C(=C\c2ccc(F)cc2)C4=O)cc1 1871354234 LILXIKUIOALIIL-ZKDCOOFMSA-N 445.490 5.672 30 10 IKEE COc1ccc([C@H](C)N2COc3cc(C)c4c(c3C2)O/C(=C\c2sccc2C)C4=O)cc1 1871354436 QMCNDPUUQMVAML-SLCIXIPPSA-N 447.556 5.903 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1cn(C)c4ccccc14)C3=O)CN([C@@H]1CCCC[C@@H]1C)CO2 1871355977 OYGWPVUWZAHSAU-SQOUWCGSSA-N 442.559 5.834 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2OCC)C3=O)cc1 1871387345 QDCIHOVPBDXJPE-JLPGSUDCSA-N 444.483 5.628 30 10 IKEE CCCCN(CCCC)Cc1c(O)cc(C)c2c1O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 1871393610 ZDSHGUCZAPNRGX-BWAHOGKJSA-N 449.635 7.017 30 10 IKEE O=C1/C(=C/c2ccc(-c3ccccc3)cc2)Oc2cc(OCCCOc3ccccc3)ccc21 1871397570 ZNMOAHIGNQLTGN-BRPDVVIDSA-N 448.518 6.818 30 10 IKEE CCOC(COc1ccc2c(c1C)O/C(=C\c1c(Cl)cccc1Cl)C2=O)OCC 1871415914 AOEHAQUYQHEPAE-ODLFYWEKSA-N 437.319 5.696 30 10 IKEE CCCCCCCCN=c1nc(N(CC)CCCC)[nH]c(=Nc2ccc(C)c(Cl)c2)[nH]1 1871490317 KBBBPQWJIGBPFU-UHFFFAOYSA-N 447.071 5.820 30 10 IKEE C=CCN=c1nc(Nc2ccc(-c3ccccc3C)cc2)[nH]c(N(CCC)CCCC)n1 1871639431 ILWVGYARHNBBEU-UHFFFAOYSA-N 430.600 5.627 30 10 IKEE Cc1cc(OCC(=O)[C@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc(C)c1Cl 1872760177 IOOVJLZMBKTHQK-NRFANRHFSA-N 446.959 6.489 30 10 IKEE CC(C)c1ccc(O[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 1872760769 XKDWJFWTOGAWJR-MHECFPHRSA-N 440.568 6.730 30 10 IKEE Cc1cccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1C 1872769110 KAHWJBQMGYMULR-HNNXBMFYSA-N 431.344 5.989 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@@H](C#N)C(=O)c2ccc(OCC(C)C)cc2)n1 1872788492 JLLSUGBMKQKLSS-IBGZPJMESA-N 440.952 5.997 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)cc1Cl 1872789648 PVCMTFHPSRZXJH-AWEZNQCLSA-N 427.869 5.179 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCOc2ccccc2)=C(c2ccccc2)C1=O 1873158043 GOGSQRGECVYTHX-UHFFFAOYSA-N 448.607 5.576 30 10 IKEE C=CCn1c(C(=O)Nc2ccc3cc[nH]c3c2)cc2c(NCc3cccc(C)c3)ncnc21 1873617182 CBDIBRSWUYYBPO-UHFFFAOYSA-N 436.519 5.271 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C(F)(F)F)cc2)cc2c(N3CCC[C@H](C)C3)ncnc21 1873658058 XWVSROPRNUYPFE-HNNXBMFYSA-N 443.473 5.125 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1cc(C)cc(C)c1)n2Cc1ccco1 1873661613 AJSBPIFEWKZJRY-UHFFFAOYSA-N 441.535 5.120 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccc(C(F)(F)F)cc3)c(=O)oc2c1 1873942908 VNLJROYZFGFHMY-UHFFFAOYSA-N 431.410 5.256 30 10 IKEE C=CCSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1cccc(F)c1 1874198702 OITKSPQPUGFBBJ-OVVQPSECSA-N 446.551 5.742 30 10 IKEE C=CCSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1ccccc1O 1874206726 QEKDEBNDCKPSHV-SSDVNMTOSA-N 435.336 5.030 30 10 IKEE CCCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccccc1OC 1874213850 ISSOBBZNGVRKRX-LFVJCYFKSA-N 444.988 5.336 30 10 IKEE CCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1cc(Cl)ccc1O 1874230356 FQNLFJUYUODQJB-LSHDLFTRSA-N 437.352 5.172 30 10 IKEE CCCOc1ccc(/C=N/n2c(COc3cc(F)ccc3F)nnc2SCCC)cc1 1874262241 PSRPSRIGYIPDBR-AFUMVMLFSA-N 446.523 5.308 30 10 IKEE CCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874263226 NFWJORGGJWYLIP-ZVHZXABRSA-N 428.989 5.802 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1cc(Cl)ccc1O 1874287651 PQBFAWZLCLPIEZ-BUVRLJJBSA-N 433.021 6.261 30 10 IKEE COc1ccc(CCc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2C)cc1 1874307133 HGCSCJBNHBPSQU-OVVQPSECSA-N 442.588 5.555 30 10 IKEE CCCSc1nnc(CCc2ccccc2C)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874363895 XTMDDWNTLQJVIZ-OEAKJJBVSA-N 443.960 5.318 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3F)n2/N=C/c2ccccc2O)c1 1874374540 BHWIPPKDQNRTOK-CVKSISIWSA-N 432.524 5.197 30 10 IKEE Oc1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SCc2cccc(F)c2)cc1 1874374722 LDUUXOGDAMNPKJ-VULFUBBASA-N 436.487 5.027 30 10 IKEE Fc1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SCc2cccc(F)c2)cc1 1874374852 QMIUIJTXEYMIMX-MZJWZYIUSA-N 438.478 5.461 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccccc3)n2/N=C/c2ccc([N+](=O)[O-])cc2)c1 1874428578 PTUPEWHECFKFKK-MFKUBSTISA-N 443.532 5.645 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2Cl)n1/N=C/c1cccc(Cl)c1 1874439612 KRENSOYOHWXZAN-ZMOGYAJESA-N 433.408 6.348 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2[C@@H]2CCCO2)cc1 1874449633 IDCXXVHUYMWFDN-LRULAXNGSA-N 428.561 5.766 30 10 IKEE Cc1ccccc1/C=N/n1c(SCC(=O)Nc2c(C)cccc2C)nnc1C1CCC1 1874493019 RGSVOQFZWXICNH-AFUMVMLFSA-N 433.581 5.084 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C(C)C)cc1 1874510483 PXHDFVYWSHUZSU-MFKUBSTISA-N 425.577 5.561 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2cccc(C)c2C)cc1OC 1874572022 SDGJIINQJGJJPX-WYMLVPIESA-N 445.515 5.234 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C)cc2C)c1OCC(=O)Nc1cccc(C)c1 1874579149 ZFHDLQAAFLFGSI-WYMLVPIESA-N 429.516 5.534 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OCc2c(Cl)cccc2Cl)c(Cl)c1 1874610505 WUAXXWLFFYFKQJ-PKNBQFBNSA-N 447.745 7.131 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1 1874622257 UTRIKQICHIMSBV-WOJGMQOQSA-N 441.571 6.515 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(OC)c(OC)c3)c2)cc1 1874694107 LQRUTFYDNNELDL-MDWZMJQESA-N 446.499 5.390 30 10 IKEE O=C(Cc1cc(Cl)ccc1Cl)Oc1cccc(/C=C/C(=O)c2ccc(F)cc2F)c1 1874700016 XIVBHOKSCLPRDZ-RUDMXATFSA-N 447.264 6.316 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3ccccc3F)c2)cc1C(C)C 1874711199 USYCYGJBDILLLH-OUKQBFOZSA-N 432.491 6.381 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cccc(OC(=O)Cc3ccccc3F)c2)c1 1874713081 FSGPHOFDMFPJFA-WYMLVPIESA-N 448.490 5.667 30 10 IKEE CCc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3cc(C)c(Cl)cc3OC)c2)cc1 1874715107 DFJPBNKWTRJVOP-JLHYYAGUSA-N 434.919 6.335 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cccc(OC(=O)[C@H](C)c2ccccc2)c1 1874715246 KARZAXATLOOTQS-QFQMRYFISA-N 434.919 6.262 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)[C@@H](C)Oc3ccc(Cl)cc3)c2)c(C)c1 1874716382 PKVIYWKISHMUTL-ZTVSIKPCSA-N 448.946 6.534 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Cl)c(OC(=O)c2ccc(F)cc2)c(OC)c1 1875117673 HKCXQPKTKDVQBW-KPKJPENVSA-N 440.854 5.612 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1Cl 1875120662 DJAHYUMPZWSLCU-UXBLZVDNSA-N 442.845 5.671 30 10 IKEE CCCCCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2cccc(Cl)c2)cc1OC 1875121354 LRBVQNCKVAKIKH-OUKQBFOZSA-N 430.928 6.129 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2OCC)cc1 1875137064 UOJGRNSUSXMWAB-MHWRWJLKSA-N 444.527 5.837 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc(OC)c1OC(=O)C(C)(C)C 1875169134 BAAZIZABDXZWKT-MDZDMXLPSA-N 426.509 5.177 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OC(=O)CCCC 1875170393 VORACNITMITIGG-BUHFOSPRSA-N 434.576 6.649 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)cc3)cc2)c1 1875171693 JCUHMYJSNPXAFO-OQLLNIDSSA-N 448.490 5.667 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)cc2)cc1C 1875175719 CJAMNRQGWXQYPP-MLACNSTMSA-N 430.931 6.562 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)cc3)c(Cl)c2)c(OC)c1 1875178321 DQRDFPZFGMPACO-WUXMJOGZSA-N 436.891 5.781 30 10 IKEE CCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)cc1Br 1875188632 BNQKWDOGIFRDHK-VMPITWQZSA-N 437.717 5.713 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)cc1 1875194521 UTMJHTSMZYYILA-FOWTUZBSSA-N 426.509 5.484 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N1C[C@H](C)C[C@@H](C)C1)n2CC 1875201243 KCHIBHOWFIDVKU-NHCUHLMSSA-N 441.664 6.122 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CCC[C@@]2(C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)C1 1918328991 ITRKWZUUXDYFNZ-DEOSSOPVSA-N 445.535 5.251 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1cc(Cl)cc(NC(=O)OC(C)(C)C)c1 1922093633 DZAQLVMNLRIVQZ-HSZRJFAPSA-N 445.003 6.501 30 10 IKEE C=C([C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1)[Si](C)(C)C 1922982449 ILCSSRMGQXVKQL-BWAGFHJFSA-N 434.697 5.287 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(C)cc(Br)c1F 1926711517 NCHWDJLWSUNMAL-MJGOQNOKSA-N 441.385 5.244 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)CC1(C)C 1949561434 PYLQYZRVWZOOAX-HSZRJFAPSA-N 449.979 5.763 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@@]1(C#N)CCCN(Cc2ccccc2)CC1 1997810939 APAQKQBEGWPIQC-VWLOTQADSA-N 439.987 6.030 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2000550142 YIDNIDXABIBCEO-VWFBZHOWSA-N 427.545 5.014 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C(C)(C)C1 2013253807 UNJJKDLBOLOCKZ-DEOSSOPVSA-N 429.561 5.357 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@H](C#N)[C@]1(C)CCCN1C(=O)OC(C)(C)C 2020804615 QTLNEMKXDCGWGY-JPYJTQIMSA-N 433.524 5.249 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]([C@](C)(C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)C1 2023570057 NTCZCYRNTGJDOS-GGUMNFRJSA-N 435.609 5.532 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@](C#N)(N(C(=O)OC(C)(C)C)C3CCCCCC3)C[C@H]2C1 2040979270 YQVXVIJFUCPHST-XMZFGDCGSA-N 447.620 5.486 30 10 IKEE FC(F)(F)c1cc(N=C2N[C@H](c3ccccc3)[C@@H](c3ccccc3)N2)cc(C(F)(F)F)c1 2069376670 ZAQVVEJYDAQVNB-WOJBJXKFSA-N 449.398 6.387 30 10 IKEE CC1(C)CC[C@]1(C#N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071349347 NRNRXLIMGMVILS-IAPPQJPRSA-N 427.544 6.208 30 10 IKEE Fc1cccc(C(F)(F)F)c1-n1nc(C2CCC2)c(C(F)(F)F)c1Br 2079826164 LPJZKDFJUSOFKN-UHFFFAOYSA-N 431.149 6.079 30 10 IKEE ON=Cc1c(C(F)F)nn([C@@H](c2ccc(C(F)(F)F)cc2F)C2CCC2)c1Cl 2079984303 IPEPGFYCZAOTFH-CQSZACIVSA-N 425.760 5.830 30 10 IKEE CC(=O)Oc1ccc([C@H](n2nc(C3CCC3)c(C=NO)c2Br)C(C)(C)C)cc1 2080080426 UVAIJIZHLLUEPR-IBGZPJMESA-N 448.361 5.282 30 10 IKEE N#Cc1c(C2CCCCC2)nn(-c2cc(C(F)(F)F)cc(Cl)n2)c1Br 2080309853 CAWPQEBBVBXHSI-UHFFFAOYSA-N 433.659 5.621 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cccc(Br)c1Cl 2081382499 MAVGDZWCYQKKRO-NVXWUHKLSA-N 429.786 5.060 30 10 IKEE O[C@@H](CC#CC1CCCCC1)c1cc(Br)ccc1I 2093458634 XRNFVFYIOCQBJJ-INIZCTEOSA-N 433.127 5.061 30 10 IKEE CCCCCCCC[C@H](NC)[C@H](O)c1cc(Br)c(Br)s1 2148586348 IHODAVGJJZDEEG-JSGCOSHPSA-N 427.246 5.645 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)C(C)(C)[C@H]1CCCCO1 2151440980 VNXDRGDOBSZSCR-ZWKOTPCHSA-N 437.378 5.678 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CC1)CC(Nc1cc(Br)c(C#N)cc1F)C2 2162331505 SXLWUTFAGWLWAQ-UHFFFAOYSA-N 438.341 5.051 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](Nc2cc(Br)c(C#N)cc2F)CC12CCC2 2162347022 RGBXJKYBCHEIND-AWEZNQCLSA-N 438.341 5.194 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)C1(C#N)CC2(CCCCCC2)C1 2164748951 HGGXTNWHNGSKNG-UHFFFAOYSA-N 433.390 6.587 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)Nc2ccc(C#N)c(F)c2)c1 2181046259 PPMSOVPYCJQEDY-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE C=C1CCC(C[C@@H](N)[C@H](Cc2ccccc2Br)NC(=O)OC(C)(C)C)CC1 2237426231 DGINILOYYCHEKC-UXHICEINSA-N 437.422 5.349 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2ccc(C#N)cc2Br)C[C@@H]2CCCC[C@@H]21 2240972005 JCOAXYAIIWYEEA-BXWFABGCSA-N 434.378 5.301 30 10 IKEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N(Cc1ccccc1)CC1CCCC1 2255872517 YPDXNCGDJRZNKZ-UHFFFAOYSA-N 439.430 5.188 30 10 IKEE CC(C)(C)OC(=O)NCc1ccc(Nc2cc(Br)cnc2C#N)cc1Cl 2266904296 BZXTWJZVZZNFBQ-UHFFFAOYSA-N 437.725 5.137 30 10 IKEE CCCCN1C(=O)C(=C2Sc3ccccc3N2CC)SC1=Nc1ccc(O)cc1C 2295201952 ULSQZXFNDKOYGK-UHFFFAOYSA-N 439.606 5.865 30 10 IKEE O=C1C(=O)N(c2ccc(F)cc2)[C@H](c2ccccc2Cl)C1=C(O)c1ccc(Cl)cc1 2296091504 ROMUWBVABRQNOU-HXUWFJFHSA-N 442.273 5.759 30 10 IKEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(c3nccs3)[C@@H]2c2ccc(C(C)C)cc2)cc1 2296766435 OHNABPLQJBPFML-OAQYLSRUSA-N 448.544 5.292 30 10 IKEE C#CCOc1c(Cl)cc(C=C2SC(=O)N(Cc3ccccc3Cl)C2=O)cc1OC 2297347091 PDBQGNNADIOVED-UHFFFAOYSA-N 448.327 5.251 30 10 IKEE CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H]([C@H](C)[N+](=O)[O-])[C@@H](C(C)=NO)[C@@]4(C)CC[C@@H]32)C1 2297623947 VOETZVYTDQTIBX-YHDFTCDSSA-N 446.588 5.239 30 10 IKEE O[C@H](C#Cc1nccs1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2300734390 XMPKRWFLRFOMLN-HSZRJFAPSA-N 427.525 5.386 30 10 IKEE CC(C)(C)OC(=O)N[C@@]1(C)C[C@H]2CC[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)C1CCC1 2307591336 LTSIZLVJDPSCQN-JSMQRPJFSA-N 433.593 5.142 30 10 IKEE O=C1NC(=Nc2ccc(F)cc2)SC1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 2313557780 LWCDPVGSWHDCAM-UHFFFAOYSA-N 443.843 5.539 30 10 IKEE Cc1ccc(C)c(COc2ccc3c(c2)OC(=Cc2c(Cl)cccc2Cl)C3=O)c1 2314438054 GGRXBHRJLRRXQO-UHFFFAOYSA-N 425.311 6.805 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)SC1=Nc1ccccn1 2314541849 QZECYMVASURYJZ-UHFFFAOYSA-N 446.488 5.348 30 10 IKEE COc1cc(C=C2Oc3c(ccc(OCc4ccccc4C)c3C)C2=O)cc(OC)c1OC 2321740271 XVOAZHNVMKNUSS-UHFFFAOYSA-N 446.499 5.524 30 10 IKEE O=C1C(=Cc2cccs2)Oc2c1ccc1c2CN(CCc2c[nH]c3ccccc23)CO1 2321911473 NWLFFRHOYKADJO-UHFFFAOYSA-N 428.513 5.240 30 10 IKEE CCCCCOc1ccccc1C=Nn1c(S)nnc1CCc1ccc(Cl)cc1 2322114823 BPDJCMBTRONYSP-UHFFFAOYSA-N 428.989 5.457 30 10 IKEE CCCOc1ccc(C=Nn2c(S)nnc2Cc2cccc3ccccc23)cc1OCC 2322132226 GHEYCKGCXPWZSL-UHFFFAOYSA-N 446.576 5.381 30 10 IKEE CCCCOCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(CC)cc1)C3=O 2322145406 UPWFFAVLGAUAGZ-UHFFFAOYSA-N 435.564 5.532 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1COc2ccc3c(c2C1)OC(=Cc1c(F)cccc1Cl)C3=O 2322146050 RFHOCYFKQFJPEM-VLIAUNLRSA-N 427.903 5.826 30 10 IKEE O=C(COc1ccc2ccccc2c1C=CC(=O)c1ccccc1Cl)NC1CCCCC1 2322436484 MOTCPNWSFVADBC-UHFFFAOYSA-N 447.962 6.217 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2cc(C)ccc2C)cc1 2322607114 MUVXXISTMWRFAI-UHFFFAOYSA-N 443.543 6.006 30 10 IKEE COC(=O)c1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc(Cl)cc4)c3C)C2=O)cc1 2322703776 ZTLITYFABOPOJW-UHFFFAOYSA-N 448.858 5.270 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccccc2OCc2ccc(C)cc2)cc1 2322758557 JYGPPFIXSVFTTQ-UHFFFAOYSA-N 442.599 7.819 30 10 IKEE Cc1c(OC(=O)c2cc3ccccc3o2)ccc2c1OC(=Cc1ccc(C(C)C)cc1)C2=O 2322842748 BCGCKNOVKRMAFE-UHFFFAOYSA-N 438.479 6.700 30 10 IKEE COc1cccc(C=CC(=O)c2cc(Cl)cc(C)c2OC)c1OCC(=O)OCC(C)C 2322937477 AXGSPOFKWADWAG-UHFFFAOYSA-N 446.927 5.140 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1ccc2c(c1)OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2323101861 OTEXQDBXPAZDRM-UHFFFAOYSA-N 449.846 5.403 30 10 IKEE CCc1ccc(NC(=O)COc2cccc(C=CC(=O)c3cc(OC)ccc3OC)c2)cc1 2323178147 NYLNQJDITXKVCU-UHFFFAOYSA-N 445.515 5.180 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OCC(=O)NC1CCCCC1 2323302206 ZFNWVSMOGBHLMP-UHFFFAOYSA-N 435.564 5.344 30 10 IKEE Cc1c(OC(=O)C=Cc2ccc(C(C)C)cc2)ccc2c1OC(=Cc1ccc(F)cc1)C2=O 2323503404 RQMQQMTYPSYZJY-UHFFFAOYSA-N 442.486 6.493 30 10 IKEE CCOc1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2C)C3=O)cc1 2323512527 ZPHPNJVPDIEFOB-UHFFFAOYSA-N 440.495 5.937 30 10 IKEE Cc1cc(OC(=O)c2cccc(OCC(C)C)c2)cc2c1C(=O)C(=Cc1ccncc1)O2 2323580152 ZYIJNSGAUOZGAR-UHFFFAOYSA-N 429.472 5.260 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)cc(OC)c1OCc1ccc(Cl)cc1 2323720046 FXCZJMVHMCIALO-UHFFFAOYSA-N 444.861 6.111 30 10 IKEE CCCOC(=O)COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 2323886614 MWIXUHWPBRACFX-UHFFFAOYSA-N 438.263 5.130 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2C)C3=O)cc1 2323889661 NCCLEQALZTXRSJ-UHFFFAOYSA-N 442.467 5.454 30 10 IKEE Cc1cc(O)c(CN2CCC[C@H](C)C2)c2c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O2 2324066766 AOPARNUOJKWUHR-ZDUSSCGKSA-N 432.347 5.856 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCCc4ccccc4)c3C)C2=O)c(OC)c1OC 2324282981 UHYNFXVYIWSZNS-UHFFFAOYSA-N 446.499 5.259 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccccc4)c3C)C2=O)cc1 2324405777 XVKPHEUCNSDCSJ-SFHVURJKSA-N 443.499 5.416 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OCCOc4cccc(C)c4)ccc3C2=O)cc1 2324532218 DPSSYMUYCKAHSZ-UHFFFAOYSA-N 443.543 5.915 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(OC)cc3)n2)c(OCC)c1 2324765270 ILJHHRMVJCTGRE-OAQYLSRUSA-N 448.544 5.506 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(OC)c(OC)c3)n2)cc1C 2324825644 YXELCDSDWJZSBX-LJQANCHMSA-N 448.544 5.342 30 10 IKEE CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2cccc(F)c2)C3=O)c1 2324825700 MADNKEOXKHWXKA-INIZCTEOSA-N 445.446 5.051 30 10 IKEE COC(=O)c1ccc(COc2ccc3c(c2)OC(=Cc2ccc(Cl)c(Cl)c2)C3=O)o1 2325373012 GMSCLKOSXFDMMY-UHFFFAOYSA-N 445.254 5.568 30 10 IKEE Fc1cccc(Cl)c1C=Nn1c(Cc2ccccc2)nnc1SCc1ccccc1 2325485671 FNMWBSHCQCYUIO-UHFFFAOYSA-N 436.943 5.836 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1c[nH]c2ccccc12 2325536151 VNGPEGIJTQFTSB-UHFFFAOYSA-N 441.963 6.069 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(OCCc4ccc(OC)cc4)c3C)C2=O)cc1 2325631691 IHPUIBMSCPMTCO-UHFFFAOYSA-N 430.500 5.640 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1cccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)c1 2325683811 DCCKMZLGHYQOOX-UHFFFAOYSA-N 437.451 5.792 30 10 IKEE Cc1cc(C(=O)Oc2cccc(C=CC(=O)c3ccc4ccccc4c3)c2)ccc1[N+](=O)[O-] 2325700611 YYLAIXCZTRMIOR-UHFFFAOYSA-N 437.451 6.172 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OC(=O)CCCOc1ccccc1C 2325737645 OSYYCSHJVBLDLM-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)c1C 2325737797 DCYOBDOXTGHJCY-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE Cc1cccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)c1C 2325738026 UMMGNGUTGSQJEO-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OC(=O)c1ccccc1OC 2325764330 GIDUSLOFPHGQTL-UHFFFAOYSA-N 430.500 5.744 30 10 IKEE CCOc1cccc(C=Nn2c(COc3ccc(C)cc3C(C)(C)C)nnc2SC)c1 2325901897 QFNNBLOOOHHUBT-UHFFFAOYSA-N 438.597 5.466 30 10 IKEE CCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1cc(Cl)c(OC)c(Cl)c1 2326667226 AZZUNUPHVDYMSB-UHFFFAOYSA-N 446.363 5.202 30 10 IKEE COc1ccccc1CCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccccc1 2328677674 YKZSAAQGGXLQEV-UHFFFAOYSA-N 442.588 5.555 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccc(C)c(C)c3)n2N=Cc2ccco2)c1 2328933037 WSALLWWNGVWYSL-UHFFFAOYSA-N 430.577 5.756 30 10 IKEE Clc1ccccc1CSc1nnc(CCOc2ccccc2)n1N=Cc1ccccn1 2329200422 KTBWZPJUGKWSTC-UHFFFAOYSA-N 449.967 5.123 30 10 IKEE CCSc1nnc(CCc2ccccc2)n1N=Cc1ccc(OCc2ccccc2)cc1 2330189117 HKOOJRUOVKJSHJ-UHFFFAOYSA-N 442.588 5.637 30 10 IKEE CSCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1Cl 2330808138 QLAQAKBYQUCAMY-UHFFFAOYSA-N 443.779 6.592 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)c(F)c2)cc1)c1ccc(Br)cc1 2330884437 USZUWSIURISPJN-UHFFFAOYSA-N 443.243 5.843 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCc3ccccc3C)nnc2[C@H]2CCCO2)cc1 2330894436 FACBDPHOZPOFCD-HSZRJFAPSA-N 449.624 5.459 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 2330932421 VNNVIMQUUCJWBT-UHFFFAOYSA-N 425.799 5.503 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc4ccccc34)c([N+](=O)[O-])c2)cc1 2331273571 QTFRCUGGVCJUEU-UHFFFAOYSA-N 437.451 6.172 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)[C@@H]3CCCO3)c(OC)c2)cc1 2331293868 MOELLOIZRWCYBF-NRFANRHFSA-N 444.911 5.118 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccncc3)c(Br)c2)c1 2331320389 HSWBLNIQIIQKOI-UHFFFAOYSA-N 436.305 5.576 30 10 IKEE C=C(C)CSc1nnc(CCCC)n1N=Cc1ccc(OCCCC)c(OCC)c1 2331337763 YLXRREXVBBIZFF-UHFFFAOYSA-N 430.618 5.749 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)c1ccncc1 2331507834 DBKRNUBERPWSND-UHFFFAOYSA-N 441.527 6.057 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCCc3ccccc3)nnc2C2CCC2)cc1 2331529165 MECJEIRVCHDUBO-UHFFFAOYSA-N 434.609 5.942 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3F)c(Cl)c2)c(C)c1C 2331612841 LHSQOGKOUBSHQJ-UHFFFAOYSA-N 438.882 6.220 30 10 IKEE CCCSc1nnc(CCC)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2331657690 UWCCAGWXOJBJKX-UHFFFAOYSA-N 428.989 5.847 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3c(C)cc(C)cc3C)cc2Cl)cc1 2331768872 ULFNRAASTSBNQU-UHFFFAOYSA-N 432.947 6.943 30 10 IKEE C=CCCCCC[C@@H](OCCCN)c1sc(Cl)cc1I 2366693506 XYGMYNXFWFHPPC-CYBMUJFWSA-N 427.779 5.549 30 10 IKEE CCc1nc(Oc2cc(NC(=O)OC(C)(C)C)ccc2Br)c(C#N)cc1C 2370354166 BATYLPXBJBOHQM-UHFFFAOYSA-N 432.318 5.726 30 10 IKEE C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CCSc1nnc(-c2ccc(OC)cc2)o1 4648758 YRGLKFYABDJLHS-STWLZBDKSA-N 426.626 7.026 30 10 IKEE COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(-c4ccc(C)cc4)c32)cc1OC 9152915 KBQUSGHVQXUMDC-JOCHJYFZSA-N 443.547 5.603 30 10 IKEE Cc1cccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(SCc4ccccc4)nn32)c1 17097175 JVMYSMJBXAUFKJ-QFIPXVFZSA-N 430.577 5.537 30 10 IKEE CC(C)COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cc(F)ccc2F)cc1 21226557 KHLNXTOQWWVGER-UZLBHIALSA-N 425.475 5.004 30 10 IKEE CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2C(F)(F)F)cc1 21258529 OCGNICZWCCUQJU-VQIMIIECSA-N 441.493 6.007 30 10 IKEE CCOC(=O)c1c(C)nc2c(c1-c1cccc(Br)c1)/C(=N/O)CC(C)(C)C2 33709553 ORXRKOORHKEVLS-LFVJCYFKSA-N 431.330 5.147 30 10 IKEE C=CCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1ccccc1F)CC2 34667496 YPWTUUKWFBFQLO-HRFSGMKKSA-N 444.550 5.043 30 10 IKEE C/C(=C1/S/C(=N/c2ccncc2Cl)N(C2CCCCC2)C1=O)c1ccc(Cl)cc1 39864646 JZQIVZUELZTUPA-SMAGERFBSA-N 446.403 6.715 30 10 IKEE O=C1N/C(=N\N=C\c2ccc(-c3ccccc3Cl)o2)S[C@H]1Cc1cccc(Cl)c1 39888199 WPFVCIYPURJOEZ-OGBFJMLUSA-N 444.343 5.418 30 10 IKEE C=CCOc1ccc([C@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2Cc2ccco2)cc1 39910881 HXXRWVDLTSIOTK-QHCPKHFHSA-N 441.483 5.313 30 10 IKEE C=CCc1ccccc1OCCCn1c(CCCCCNC(=O)C2CC2)nc2ccccc21 40212288 IGIOVKGQGUKYBC-UHFFFAOYSA-N 445.607 5.473 30 10 IKEE O=C1c2ccc(Cl)c3c(Cl)ccc(c23)C(=O)N1/N=C/c1ccc(Cl)cc1Cl 59381878 FNHIIYBDLAHDNZ-KTZMUZOWSA-N 438.097 6.084 30 10 IKEE CCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1OC 59720370 KUPRFUOGSZFTJM-WGOQTCKBSA-N 434.561 6.037 30 10 IKEE Cc1cccc(/N=C2/NC(=O)/C(=C\c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)S2)c1 83309858 ALIODALURXVDNP-SRZZPIQSSA-N 439.943 6.087 30 10 IKEE CCCCCCCOc1cccc(NC(=O)CNc2cc(Cl)c(Cl)cc2Cl)c1 100067956 ZIQFVMJJXJTWHE-UHFFFAOYSA-N 443.802 7.047 30 10 IKEE CCCCCCCSc1nnc2c(n1)O[C@@H](c1ccc(C)s1)Nc1ccccc1-2 100792561 QCUABLRJAKZXDL-FQEVSTJZSA-N 426.611 6.474 30 10 IKEE CCCCCCCCCCCCCCCCSC(=S)N[C@@H]1CCS(=O)(=O)C1 100838991 HYQYCIHGWZHPBA-HXUWFJFHSA-N 435.765 6.263 30 10 IKEE CCCCCCCCCCCn1c(-c2ccc(Br)cc2)nc2ccccc21 102195981 ZOJANXTXUZMSHG-UHFFFAOYSA-N 427.430 7.997 30 10 IKEE N#Cc1ccc(Oc2c(Br)cc([N+](=O)[O-])cc2Br)c(Cl)c1 110262977 YMZWQXFAODSPHX-UHFFFAOYSA-N 432.455 5.437 30 10 IKEE CCN1C(=S)N[C@H](c2ccc(OC(C)C)c(Cl)c2)C(C(=O)c2ccccc2)=C1C 169931524 PYHNPKFMNYEGMW-OAQYLSRUSA-N 428.985 5.535 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 169936221 NUHCBXYONPLYGM-JOCHJYFZSA-N 444.874 5.003 30 10 IKEE COc1cc(/C=N\Nc2nc(-c3ccc(C)cc3)cs2)cc([N+](=O)[O-])c1OC(C)C 169943272 KTHUTBCXIUFCDB-JJFYIABZSA-N 426.498 5.269 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccc(F)c(F)c2)c1 169968352 JVSZVWPDACDPEU-QHCPKHFHSA-N 433.454 5.673 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1cccc(OC(C)C)c1 169981233 OUFDXXIGWZVPMM-FQEVSTJZSA-N 442.581 5.316 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1 170063342 RTOGSJJBRYKEMH-HSZRJFAPSA-N 435.882 5.581 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2c[nH]c3ccccc23)c1 170075226 GASXIESSYZJSJM-XMMPIXPASA-N 438.483 5.268 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2sccc2C)c1 170106188 IIKSXKWUSJTYRP-JOCHJYFZSA-N 431.557 6.073 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1c1ccc(Cl)cc1 170106578 IBEZFCLGSRVIIR-FQEVSTJZSA-N 449.915 6.239 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C[C@@H]2CCCO2)c1 170143418 ZAYIHYAWYJGCJG-JXFKEZNVSA-N 446.330 5.059 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2C2CCCCC2)c1 170145467 HHNSNWHCAINTAO-RUZDIDTESA-N 445.603 6.512 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2cccs2)c1 170157203 YCPMCFMPFLVGLI-NRFANRHFSA-N 435.501 5.025 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2cccnc2)c1 170185339 IDWZXBVXQHEELW-RUZDIDTESA-N 434.495 5.635 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 170235441 UOBSLXDNVHKBSD-HSZRJFAPSA-N 447.918 5.590 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2ccc(C)c(C)c2)o1 170301782 YULUDDVMAQQNMR-XMMPIXPASA-N 445.515 5.775 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2ccc(C)o2)cc1C 170304595 LHJAIHCIDATEJQ-QHCPKHFHSA-N 447.487 5.092 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@@H]1c1sccc1C 170315601 WIQZISZNBWIGQC-JOCHJYFZSA-N 445.540 5.473 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1sccc1C 170318839 ZLAGXCFXVHJODV-SFHVURJKSA-N 429.925 5.835 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3cc(C)cc(C)c3OC)=C(O)C(=O)N2CCC)c1 170323541 OIIYFANEQJUHRY-QFIPXVFZSA-N 437.536 5.089 30 10 IKEE Cn1cc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2cccc(Cl)c2)c2ccccc21 170396042 WSOVIKXYHMTGEI-JOCHJYFZSA-N 443.890 5.010 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]2c2cccc(Oc3ccccc3)c2)c1 170456151 UOCKUJWPVJLBMK-XMMPIXPASA-N 441.527 6.303 30 10 IKEE CCCCCCCC[C@H](NC)c1cc(Br)ccc1I 232956305 UNTOLWBXMVTLJJ-INIZCTEOSA-N 438.191 6.065 30 10 IKEE CCOc1cc(/C=C2\SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)ccc1O 252621798 NGXRSFDDJYYEKR-GCNWNYGFSA-N 444.556 6.216 30 10 IKEE COc1ccc(/C=C2/SC(=Nc3ccccc3)N(CCc3ccccc3)C2=O)c(C)c1 252628548 SSOHTJSQYFYSSO-ZNCAUEQNSA-N 428.557 5.850 30 10 IKEE Cc1cccc(OCCCn2cc(C=N/N=c3/[nH]c4ccccc4s3)c3ccccc32)c1 254756710 CIMQPJOLYZRDCV-UHFFFAOYSA-N 440.572 5.896 30 10 IKEE Cc1ccccc1N=c1scc(-c2ccco2)n1N=Cc1cccc(C(F)(F)F)c1 254844035 GORLWZXUPBGGCB-UHFFFAOYSA-N 427.451 6.251 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc3ccccc23)cc1 526773270 LSVUQHUCWIACRC-HHHXNRCGSA-N 447.534 6.746 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1cccc(OCC)c1OC 526808886 QGUWTCSIWLMXOF-XYGWBWBKSA-N 438.597 5.511 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1sccc1C 526813626 FRDJNSNOOPMPSP-JJFYIABZSA-N 439.437 6.472 30 10 IKEE Cc1nnc(SCc2cccc3ccccc23)n1/N=C\c1c(C)n(C)c2ccccc12 526821224 HQMRGPYUSCVIBN-YSMPRRRNSA-N 425.561 5.714 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2ccc(Br)c(C)c2)cc1 698960097 VNFQSFQNXDNIBN-IBGZPJMESA-N 431.330 5.773 30 10 IKEE C=CCn1c(Sc2nc(O)c3ccccc3n2)nc2sc(-c3ccccc3)cc2c1=O 731916965 BSTJNYKBTSLLNW-UHFFFAOYSA-N 444.541 5.111 30 10 IKEE COc1cccc(/C=C2/SC(=Nc3cccc(C)c3)N(c3cccc(C)c3)C2=O)c1OC 1082989849 JAXRSSMZBUXJTA-GQUXDKRHSA-N 444.556 6.129 30 10 IKEE CC(=NNc1nc(SCc2nc3ccc(C)cc3[nH]2)n[nH]1)c1ccc2ccccc2c1 1084246454 DUILRJODOHADDT-UHFFFAOYSA-N 427.537 5.271 30 10 IKEE O=C(Oc1ccc(C=NNc2nc3ccccc3s2)cc1)c1ccc(Cl)cc1Cl 1084322964 UUZVVXUCOREXLX-UHFFFAOYSA-N 442.327 6.268 30 10 IKEE CSc1nc(O)nc(C)c1C(=O)Nc1ccc(Sc2ccc(Cl)cc2C#N)cc1 1638221373 GIZYKSYMVBPAHT-UHFFFAOYSA-N 442.953 5.141 30 10 IKEE O=C1/C(=C\c2ccccc2[N+](=O)[O-])SC(=Nc2cccnc2Cl)N1c1ccccc1 1772732548 FVZDPDALHGTSPR-DHTRNYPVSA-N 436.880 5.452 30 10 IKEE O=C1/C(=C/c2cccc([N+](=O)[O-])c2)SC(=Nc2ccncc2Cl)N1c1ccccc1 1772735128 GQYQVKVLSIUUAH-MPZUNYIRSA-N 436.880 5.452 30 10 IKEE CC(C)c1ccc(/C=C2/SC(=Nc3cccnc3Cl)N(C3CCCCC3)C2=O)cc1 1772736178 XHIGFHZVFXEPIV-ZJRBDENDSA-N 440.012 6.795 30 10 IKEE CC(=O)c1c(C)oc(NC(=O)c2cccc(-c3nc4cc(C(C)C)ccc4o3)c2)c1C#N 1859748894 WURGJCXEGGKISP-UHFFFAOYSA-N 427.460 5.846 30 10 IKEE O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(c1ccccc1F)C1CCCCC1 1860423171 NUXBQCMUZIZMEI-UHFFFAOYSA-N 433.367 6.843 30 10 IKEE CCCCCCCCNC(=O)[C@H](NC(=O)Cc1cc(Cl)ccc1SC)[C@H](C)CC 1860978622 KJAVNATXWJFELZ-VGOFRKELSA-N 441.081 5.612 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 1861125488 IOHUIPQYPQMNPK-MMYRTMNYSA-N 431.577 5.150 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 1861821457 MDBNKHJCZBRQLT-GOSISDBHSA-N 425.957 5.014 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)CCCOc1ccc2ccccc2c1)c1ccccc1 1862223446 GRBTVHQAVOUZFY-MHZLTWQESA-N 442.559 5.057 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1cccc(F)c1 1862381899 IJINGEVULFBIIC-LJQANCHMSA-N 436.310 5.901 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@@H]2c2ccccc2)cc1 1862412479 FSMFETBVYKSPMX-GYCJOSAFSA-N 447.481 5.867 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccccc1F 1862430331 IFTWVYZBPMVQKF-ZHRRBRCNSA-N 443.946 6.416 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2[C@H](C)c2ccccc2)c1 1862431289 DGJPYMHZFAOLLA-WAIKUNEKSA-N 447.918 5.688 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1c(F)cccc1Cl 1862435009 MAARFRKELJGVLE-LJQANCHMSA-N 436.310 5.757 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2cccc(O)c2)c1 1862441900 FADWJZXOGDTEBD-QFIPXVFZSA-N 433.891 5.133 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2Cc2ccccc2)cc1 1862456340 PKFANZMTYGZKQY-JOCHJYFZSA-N 437.417 5.191 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1cccc(Cl)c1 1862470103 FUFTUKYPXQYLEJ-QGZVFWFLSA-N 434.717 5.089 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862474165 LBGNWQZFNVULOR-DFBJGRDBSA-N 425.528 5.897 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC(C)C)c(OC)c1 1862485202 XPUJDRFDOUOLIO-HSZRJFAPSA-N 437.536 5.169 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cccc(O)c1 1862490613 ZPFDLVLUPBOHET-XMMPIXPASA-N 435.564 5.948 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc(OC)cc2)cc1 1862517633 RSTVTJAOPUVTHD-QHCPKHFHSA-N 437.536 5.108 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2Cc2ccccn2)cc1 1862543195 AKHLCGBDGWUDED-VWLOTQADSA-N 438.527 5.047 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cccc2ccccc12 1862549106 IIHHPTNSBIVRIL-QYBDOPJKSA-N 439.555 6.095 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(C(C)C)cc1 1862596623 VRSIDSKDWQRVNC-WIOPSUGQSA-N 449.591 6.453 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(C(C)C)cc1 1862614565 DTVMDDKMEFKHEH-VWLOTQADSA-N 447.619 6.876 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(C(=O)OC)cc1 1862652864 OAXMGFAQKKVCGU-HJPURHCSSA-N 443.499 5.003 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)cc1 1862664370 ZOGKRJKOQZDCHY-VVMVZBAXSA-N 447.575 5.976 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cc(C)ccc2C)cc1 1862673944 HRKVLVJOWXPYQZ-DEOSSOPVSA-N 429.491 5.529 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(Cl)c2)c1 1862675446 LCFBDBQMJJBGHS-HSZRJFAPSA-N 449.909 5.874 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1F 1862676088 ZTXJGLIRBTWFOT-AVRDEDQJSA-N 445.481 6.041 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862691557 PFCVIZNRNNDQHB-QHCPKHFHSA-N 430.504 5.088 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1[C@H](C)c1ccccc1 1862713833 XXRBBBXVDFBVBM-NFQMXDRXSA-N 447.534 6.488 30 10 IKEE Cc1cc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3cccc(Cl)c3)C2=O)ccc1F 1863088480 FZFSSLMBUAFJSL-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE N#Cc1ccc(NC2=C(c3cccs3)C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 1863101862 KPZUPKGLABTFRD-UHFFFAOYSA-N 439.418 5.035 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(F)c(C)c2)C1=O 1863469652 SVFLGVUNEKAEOP-FQEVSTJZSA-N 433.527 5.557 30 10 IKEE CCCCCCCCNC1=C(c2cccc3ccccc23)C(=O)N(CCCCN(C)C)C1=O 1863581206 WGETWGLIOJAPQA-UHFFFAOYSA-N 449.639 5.212 30 10 IKEE CCCCCCCCNC1=C(c2ccc(C)cc2)C(=O)N([C@H](C)c2ccc(CC)cc2)C1=O 1863630572 TWFSKUJOIXUGFQ-JOCHJYFZSA-N 446.635 6.349 30 10 IKEE COc1ccc([C@H]2CN(c3cc(Nc4ccc(C#N)cc4)nc(C(C)C)n3)CCS2)cc1 1868242260 LQSILUSPWJEHTI-JOCHJYFZSA-N 445.592 5.518 30 10 IKEE N#Cc1ccccc1Nc1cc(N2CCC[C@H](Oc3ccccc3)C2)nc(-c2ccccc2)n1 1868373504 WSUSPUVSGXZKPK-DEOSSOPVSA-N 447.542 5.807 30 10 IKEE C=CCN(CC=C)c1cc(N2CCN(C(C)C)c3ccccc32)nc(-c2ccccc2C)n1 1869155183 GVYQYFUHOPILQM-UHFFFAOYSA-N 439.607 5.997 30 10 IKEE CCCCCCCOc1cn(CCCC)c(CNc2cccc([N+](=O)[O-])c2C)cc1=O 1870830452 PHJMCNDFTISOBA-UHFFFAOYSA-N 429.561 5.826 30 10 IKEE CCCCCCCOc1cn(CCN(CC)CC)c(CNc2ccc(OC)cc2)cc1=O 1870837498 JJYQMWRTCAQUBY-UHFFFAOYSA-N 443.632 5.160 30 10 IKEE CCCCCCCOc1cn(CCCCCCO)c(CNc2cc(C)cc(C)c2)cc1=O 1870839050 IKMIWJJZSWBREI-UHFFFAOYSA-N 442.644 5.979 30 10 IKEE CCCCCCCOc1cn(CCCCCC)c(CNc2cccc(C)c2C)cc1=O 1870839276 FMVZDOCASUTERZ-UHFFFAOYSA-N 426.645 7.007 30 10 IKEE CCCCCCCCn1cc(OCC(=O)NCCCC)c(=O)cc1CNc1ccccc1 1870954400 OMEMEDPIBCIDKA-UHFFFAOYSA-N 441.616 5.116 30 10 IKEE C=CCn1cc(OCCCCOc2cccc(C)c2)c(=O)cc1CNc1cc(C)ccc1C 1871220956 GLXVSGZOBNMMAH-UHFFFAOYSA-N 446.591 5.810 30 10 IKEE Cc1ccc(Cl)cc1NCc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CC(C)C 1871251424 DOVZQQPXHKHOJV-UHFFFAOYSA-N 435.955 5.529 30 10 IKEE CCCCCCCCCCN=c1nc2c(cnn2C)c(Nc2cc(Cl)ccc2C)[nH]1 1871299303 XGOVCXXTLVPKGF-UHFFFAOYSA-N 429.012 6.043 30 10 IKEE COc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(CCC3=CCCCC3)C4)C2=O)cc1 1871355104 SALHYUBIHYQKQR-OYKKKHCWSA-N 431.532 5.662 30 10 IKEE C=CCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)cc(=O)c3c2)cc1 1871359192 WAOLBHPRNVTQHB-UHFFFAOYSA-N 439.511 6.401 30 10 IKEE CCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2C)C3=O)cc1 1871379615 GSJMMVPACHKHFF-FQIHTKLKSA-N 440.495 5.937 30 10 IKEE CCCCC(=O)Oc1cc(C)c2c(c1)O/C(=C\c1cn(CC)c3ccc(OC)cc13)C2=O 1871385280 KQWYJCYHLJXNOB-FMCGGJTJSA-N 433.504 5.690 30 10 IKEE CCCC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccco2)C3=O)cc1 1871390627 GGVZFVSPFSOIAC-BKUYFWCQSA-N 432.428 5.129 30 10 IKEE CCCCN(CCCC)Cc1c(O)cc(C)c2c1O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 1871393611 ZEABRYGKCWQPAF-JCMHNJIXSA-N 438.524 5.627 30 10 IKEE CCCCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O 1871401011 RKASOZSPZLUDAW-OCKHKDLRSA-N 435.303 5.640 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCCCOc4ccc(OC)cc4)cc(C)c3C2=O)cc1 1871415867 XXKIDHPNCLYNSY-XYGWBWBKSA-N 446.499 5.476 30 10 IKEE CCOC(COc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O)OCC 1871416198 QUXKZFJTYAYMFW-XYGWBWBKSA-N 430.500 5.748 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OCc4ccccc4C#N)cc(C)c3C2=O)c2ccccc21 1871437362 UAVRTCAEORDQPQ-ZMFRSBBQSA-N 434.495 6.037 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)CCCC 1871821795 YNEQQTQUXNKZPD-QHCPKHFHSA-N 436.662 5.535 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccccc1 1872446079 UJJDELKQWYBXMC-QHCPKHFHSA-N 428.598 5.184 30 10 IKEE C=CCN([C@H](CC(C)C)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(C)c(C)c1 1872504801 NEAAWPYGUJSCJY-XMMPIXPASA-N 442.625 5.150 30 10 IKEE COc1c(Cl)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)c2ccc(C)c(C)c2)n1 1872778705 RFBPAVAHDLHOJE-INIZCTEOSA-N 431.344 6.232 30 10 IKEE C=CCN1C(=O)C(NC2CCCCCCCCCCC2)=C(c2ccc(F)c(C)c2)C1=O 1873152790 MIBCBYYRMHWLCV-UHFFFAOYSA-N 426.576 5.663 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(C(C)C)c(C)c2)=C(c2cccc(Br)c2)C1=O 1873228393 NWNFVUHXXRBXLI-UHFFFAOYSA-N 439.353 5.259 30 10 IKEE CCCCN(CCCC)c1nc(Nc2cccc(C#N)c2)c2cnn(-c3ccccc3)c2n1 1873482629 IMWDOUBSRDTDSI-UHFFFAOYSA-N 439.567 5.837 30 10 IKEE C=CCn1c(C(=O)Nc2cc(Cl)cc(Cl)c2)cc2c(N(C)CCCC)ncnc21 1873665372 LZYTXEXVPRPNHZ-UHFFFAOYSA-N 432.355 5.413 30 10 IKEE N=c1[nH][nH]c2cc(N/N=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)ccc12 1873792514 GCVMECACSQPDQV-OPEKNORGSA-N 426.307 5.307 30 10 IKEE CCCCCCCCCCNC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCCC3 1873937119 YWGICNHJWQRRLI-UHFFFAOYSA-N 427.585 5.616 30 10 IKEE Cc1ccc(OCCCc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccc[nH]2)cc1 1874251433 CPCYONSODNDOKV-JVWAILMASA-N 449.555 5.240 30 10 IKEE CSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc(Cl)cc1Cl 1874281345 DJQOQYWRZIIBOJ-SSDVNMTOSA-N 425.772 5.628 30 10 IKEE CCCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc(O)c(OCC)c1 1874284349 BNNMPHJHKUGZNN-BUVRLJJBSA-N 444.988 5.205 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OCC)cc2)n1/N=C/c1ccc(Cl)cc1 1874303824 SUBWCRLYAFQBOY-ZVHZXABRSA-N 426.973 5.471 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OC)cc2)n1/N=C/c1ccc(Cl)cc1Cl 1874349324 GVFCVBHFKDZDDC-WYMPLXKRSA-N 447.391 5.735 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCc3ccccc3C)nnc2[C@H](C)c2ccccc2)c1 1874392701 RVLPAUQXEUXAQL-CSWGWEJPSA-N 442.588 5.927 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCCc2ccccc2)n1/N=C/c1ccc(O)cc1O 1874399903 FXNYGBQWJDMEBJ-WYZSWBMLSA-N 444.560 5.058 30 10 IKEE Clc1ccccc1CSc1nnc(CC2CCCCC2)n1/N=C/c1ccccn1 1874408400 UZPXZZSUBCDAFB-MFKUBSTISA-N 425.989 5.624 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCCc2ccccc2)nnc1-c1cccs1 1874422898 KLJLWPRSCGBCAF-XIEYBQDHSA-N 446.601 5.788 30 10 IKEE O=[N+]([O-])c1ccccc1/C=N/n1c(SCc2ccc(F)cc2)nnc1C1CCCC1 1874452866 RNHDOFPDAPMQKL-YDZHTSKRSA-N 425.489 5.158 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1c(F)cccc1Cl 1874475265 RFMHIMQBNLPDHP-ZMOGYAJESA-N 445.951 5.026 30 10 IKEE CCCCOc1ccc(/C=N/n2c(COC)nnc2SCc2ccc(Cl)cc2)cc1 1874502886 FOXBQWQVZKKPFR-ZVHZXABRSA-N 444.988 5.431 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C)n2/N=C/c2c(Cl)cccc2Cl)c(C)c1 1874533779 AXFXEUPXIBTLHC-AUEPDCJTSA-N 448.379 5.123 30 10 IKEE Cc1ccc(Cc2nnc(S)n2/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1 1874561396 PUJIFMUKMMKEEB-CVKSISIWSA-N 448.979 5.581 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(S)n1/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 1874561471 SOQJXIHTLBFAMX-AEIQVQRHSA-N 448.979 5.833 30 10 IKEE Cc1ccccc1CCc1nnc(S)n1/N=C/c1ccccc1OCc1ccccc1C 1874562368 RDYRJAQCFRHZQB-WPWMEQJKSA-N 442.588 5.430 30 10 IKEE CCc1ccc(NC(=O)COc2ccccc2/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1 1874570197 RMVKIKRKLZWWBE-NTCAYCPXSA-N 430.460 5.071 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCc2ccccc2)cc1Cl 1874591035 PHVCSDGTBJYKKS-CSKARUKUSA-N 443.326 6.486 30 10 IKEE O=C(COc1ccccc1/C=C/C(=O)c1cc(Cl)ccc1Cl)Nc1ccccc1F 1874591278 BZSBUDBMXBTEMJ-FMIVXFBMSA-N 444.289 6.046 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1OCc1cc(C)ccc1C 1874594050 PJTOVQCUVRCWJL-UXBLZVDNSA-N 441.354 7.094 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(Cl)c1OCc1ccccc1C 1874604704 AWMFLUBYDTULPD-NTCAYCPXSA-N 434.963 7.085 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 1874614690 ONXSLLCJULBBGJ-SDNWHVSQSA-N 449.934 5.961 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OCc1cccc2ccccc12 1874616557 HXADGBJPVPHCJZ-OBGWFSINSA-N 448.562 7.360 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OCC(=O)N(CC)CC 1874618783 SQTBWZODXODWKZ-BUHFOSPRSA-N 435.564 5.184 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(OC)c1OCC(=O)OCC(C)C 1874627475 MCACJUZRARBLCR-JXMROGBWSA-N 444.474 5.176 30 10 IKEE COc1cc(C(=O)/C=C/c2ccc(OCc3ccc(F)cc3)cc2)c(OC)cc1Cl 1874630131 MPMJAZTUXAUNOF-KPKJPENVSA-N 426.871 5.971 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccccc3OC)c2)cc1 1874702189 UZNVVUFHKKZOFG-LFIBNONCSA-N 430.500 5.528 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3cc(C)c(OC)cc3C)c2)cc1 1874717881 NCSFAMBHWTUILG-JLHYYAGUSA-N 430.500 5.365 30 10 IKEE O=C(CSc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1 1875096897 KHYBVCGBMKSMQD-SFQUDFHCSA-N 428.553 6.159 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)Cc3ccccc3)c(OC)c2)cc1 1875103679 KQKDVFXMPGUANT-SDNWHVSQSA-N 434.919 5.955 30 10 IKEE CCCCCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc1OC 1875107244 GYYYMPYNXDUQBK-ACCUITESSA-N 440.536 5.793 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3F)c(OC)c2)cc1 1875108049 VMBRLSMREKBEFC-FOWTUZBSSA-N 432.491 6.292 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1)c1ccc(C(F)(F)F)cc1 1875112146 ZJDKPJDLPLMTCR-VGOFMYFVSA-N 430.809 6.474 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)c1ccc(C)cc1 1875131042 FQIYZCBDNKCWNV-XYOKQWHBSA-N 434.919 6.389 30 10 IKEE COc1cccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2OC)c1 1875134152 LRTJISWUNUIQDC-FMIVXFBMSA-N 446.499 5.201 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N1C[C@H](C)O[C@H](C)C1)n2CC 1875201864 ZBAQJRUDXGCFIX-BGYRXZFFSA-N 443.636 5.253 30 10 IKEE C=CCC[C@@H](NCCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875664059 ZZUIYOPGSXNDHT-UHSQPCAPSA-N 445.603 6.212 30 10 IKEE Cc1nc(-c2ccccc2Cl)sc1C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 1890772578 DZOMPLULENFIPL-UHFFFAOYSA-N 437.952 5.327 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCC)c2ccc(Br)c(F)c2)C1 1894939518 OGMRRWWPGURFKX-KRWDZBQOSA-N 427.358 5.100 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](N)c1c(Br)cccc1Br 1937850577 SKIPLRVGFGWTDC-ZFWWWQNUSA-N 448.199 5.071 30 10 IKEE CCCN[C@@H](CC#CC(C)(C)C)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1947486031 WRPMDNJTCDXVCH-GOTSBHOMSA-N 430.633 5.294 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]1[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1978217223 YWJFKESJUCKYKQ-VGOFRKELSA-N 435.952 5.373 30 10 IKEE CCCCCCCCC(=O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997458902 QALQODZMWFFLOD-AREMUKBSSA-N 431.617 6.150 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1999942426 JFZUFRVDVWSNFO-MWTRTKDXSA-N 449.979 5.621 30 10 IKEE C=C(F)C[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCCC 2011355146 USOFIORVLOKOAE-QFIPXVFZSA-N 433.612 5.178 30 10 IKEE CC(C)(C)OC(=O)NC1CC2(CC[C@@]2(C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)C1 2012277314 MAUBHYPSSXKYJV-KGMOOGKZSA-N 433.593 5.286 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C)NCCC 2022686787 IUKUFQURKIJSHW-RTWAWAEBSA-N 438.559 5.162 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CN(Cc2ccccc2)C(C)(C)C1 2037382698 JQMLMFURQOCTMU-SANMLTNESA-N 435.568 5.384 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@@]1(C#N)CN(Cc2ccccc2)C2(CCC2)C1 2037914875 QDWNXBMHZJMLGD-SANMLTNESA-N 435.543 5.658 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@](C#N)(N(C(=O)OC(C)(C)C)c3ccccc3)C[C@]2(C)C1 2052770314 KQSMBMFHZVBJNO-MUEKUWCCSA-N 441.572 5.357 30 10 IKEE N#CC1([C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCOCC1 2071359925 WYQWHFWVPNHSFN-SANMLTNESA-N 429.516 5.198 30 10 IKEE Nc1c(C(F)(F)F)nn([C@H](c2ccc(C(F)(F)F)c(F)c2)C2CC2)c1Br 2079853870 HHSPZWRSTPGDMM-NSHDSACASA-N 446.164 5.404 30 10 IKEE CC[C@@H](c1ccc(C(F)(F)F)cc1F)n1nc(C2(C)CC2)c(C#N)c1Br 2079933770 JGJXNFYTEHNLEL-AWEZNQCLSA-N 430.243 5.726 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Cl)c(Br)c1F 2097182889 ZIPGNFXPVBFMRB-RHSMWYFYSA-N 449.792 5.752 30 10 IKEE C=C(COCC)[C@H](NCCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134735163 WRUQEWPAUMCDGR-LJAQVGFWSA-N 445.603 6.478 30 10 IKEE C=CCC1([C@@H](NCCC)c2ccc(Br)c(C)n2)CN(C(=O)OC(C)(C)C)C1 2156999776 DPJPIKGCWNRIQS-SFHVURJKSA-N 438.410 5.006 30 10 IKEE C=CCCCCCCCC[C@@H](N)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2207413428 JUDYXAPLGCJATP-LJQANCHMSA-N 439.438 7.103 30 10 IKEE CCCCCCCC[C@H](C)Nc1cc(Br)ccc1I 2231947325 XPJBLUIURHDBIP-ZDUSSCGKSA-N 438.191 6.605 30 10 IKEE CCCC[C@@H](C[C@@H](C#Cc1ccccc1Br)NCC)NC(=O)OC(C)(C)C 2235719469 NNBMKKKYWVCMHQ-MOPGFXCFSA-N 437.422 5.252 30 10 IKEE C=CCCCCCCC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237417042 JXJHWIVSGPYKSP-IBGZPJMESA-N 438.406 5.981 30 10 IKEE CC[C@H]1CC=C(C(=O)[C@@H](Cc2ccccc2Br)NC(=O)OC(C)(C)C)CC1 2237429105 XOKVIPBRNJKBHG-HNAYVOBHSA-N 436.390 5.591 30 10 IKEE CC(C)(C)OC(=O)NC[C@@]1(C)CCC[C@@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 2249883080 RUIYQJMOZVSNBR-PKTZIBPZSA-N 449.617 5.462 30 10 IKEE CC[C@@]1(Nc2c(Br)cccc2C#N)CCCN(C(=O)OCc2ccccc2)C1 2257474192 WARTXHNOBGJNKJ-JOCHJYFZSA-N 442.357 5.314 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Br)cc(C(C)C)c1 2266003473 RBHDMPYIBVFNNT-MOPGFXCFSA-N 425.411 5.693 30 10 IKEE C=CC[C@@]1(COc2ncnc(Cl)c2Br)CCCCN1C(=O)OC(C)(C)C 2272127836 DOPKXWKJYLTYEZ-SFHVURJKSA-N 446.773 5.007 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Br)cc([C@@H](O)C#Cc2ccccc2Cl)c1 2277871022 RKSJYHSJYUNNSB-SFHVURJKSA-N 436.733 5.535 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](Nc2ccc(Br)cc2C#N)C[C@@H]2CCCC[C@H]21 2279549569 IWAMGRZDBUYFGX-POZUXBRTSA-N 434.378 5.301 30 10 IKEE COc1ccccc1[C@H]1C(=C(O)c2ccccc2)C(=O)C(=O)N1c1ccc(C)c(Cl)c1 2296235634 JAXAOKXPROZBAT-QFIPXVFZSA-N 433.891 5.283 30 10 IKEE CN[C@@H](C#Cc1cccc(Br)c1)C[C@@H](CC(C)(C)C)NC(=O)OC(C)(C)C 2296271571 FZMWRVXTYXAVRT-OALUTQOASA-N 437.422 5.108 30 10 IKEE CC(C)CN(Cc1c(O)ccc2c1OC(=Cc1ccc(Cl)cc1Cl)C2=O)CC(C)C 2296607467 JQULBHOFWPHMQW-UHFFFAOYSA-N 448.390 6.429 30 10 IKEE O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@H](c2ccccc2)C1=C(O)c1cccs1 2296766500 XZXPLAAQCYRUHG-GOSISDBHSA-N 436.489 5.123 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2308985694 PKJSPCOKTGOPMV-GYJMCELFSA-N 445.535 5.153 30 10 IKEE CSC1(C#C[C@@H](N)c2cc(Br)cc(NC(=O)OC(C)(C)C)c2)CCC1 2314691242 HZKLYWLHEOQMDB-MRXNPFEDSA-N 425.392 5.085 30 10 IKEE Fc1cccc(Cl)c1COc1ccc(C=Nn2c(S)nnc2C2CCCC2)cc1 2321927989 DTMSOMHMSZFITB-UHFFFAOYSA-N 430.936 5.478 30 10 IKEE O=C1C(=Cc2ccccc2OC(F)F)Oc2c1ccc1c2CN(Cc2ccccc2)CO1 2321981683 KSKRPUOPVDLBAJ-UHFFFAOYSA-N 435.426 5.256 30 10 IKEE CCCCCCN1COc2ccc3c(c2C1)OC(=Cc1ccc(Br)cc1)C3=O 2322083044 VWQTUFVCRWKKAE-UHFFFAOYSA-N 442.353 5.798 30 10 IKEE Cc1ccc(C=C2Oc3c(cc4c(c3C)OCN(CCc3c[nH]c5ccccc35)C4)C2=O)o1 2322286125 PAHWLOKDLYZRCT-UHFFFAOYSA-N 440.499 5.389 30 10 IKEE CCc1ccc(C(=O)C=Cc2c(OCc3ccc(C(=O)OC)o3)ccc3ccccc23)cc1 2322353696 PHCHZBOOUZYJNI-UHFFFAOYSA-N 440.495 6.257 30 10 IKEE COc1cccc(C(=O)C=Cc2c(OCC(=O)Nc3ccccc3)ccc3ccccc23)c1 2322371636 HNMMOJRWCYYTDM-UHFFFAOYSA-N 437.495 5.762 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(Cl)cc2C=CC(=O)c2ccc(C)cc2C)cc1 2322572864 FMFKXEDTEORGKH-UHFFFAOYSA-N 433.935 6.179 30 10 IKEE O=C(C=Cc1ccccc1OCc1cccc(Cl)c1)c1ccc(Oc2ccccc2)cc1 2322806970 WWDSKIWMIASUEM-UHFFFAOYSA-N 440.926 7.607 30 10 IKEE C=CCOc1c(C=CC(=O)c2cc(C)cc(C)c2OC)cc(Br)cc1OC 2322856563 CHJAINLECAFEOG-UHFFFAOYSA-N 431.326 5.544 30 10 IKEE COc1cc(C=NNc2ccc(Cl)cc2)ccc1OCc1c(Cl)cccc1Cl 2322952883 XPUJTKSROBAVIN-UHFFFAOYSA-N 435.738 6.680 30 10 IKEE COc1cc(C=NNc2ccc(Cl)cc2)cc([N+](=O)[O-])c1OCc1cc(C)ccc1C 2322953007 BSKXVHKLEFMGPW-UHFFFAOYSA-N 439.899 5.899 30 10 IKEE Cc1ccc(C)c(COc2ccc(Cl)cc2C=CC(=O)c2cc(Cl)ccc2Cl)c1 2323002933 VBNGJRCXOBHYTN-UHFFFAOYSA-N 445.773 7.739 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1OCc1ccc(C)cc1 2323044114 SVKWBLYGXHFRBE-UHFFFAOYSA-N 434.535 7.146 30 10 IKEE O=C(COc1cccc(C=CC(=O)c2ccc3ccccc3c2)c1)Nc1ccccc1F 2323049414 SBZKSKVUAOWQII-UHFFFAOYSA-N 425.459 5.893 30 10 IKEE O=C(C=Cc1cccc(OCc2cccc3ccccc23)c1)c1ccc(Cl)c(Cl)c1 2323150727 LJMHOKIPWGWISC-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE CCn1cc(C=C2Oc3cc(OC(=O)C=Cc4ccco4)cc(C)c3C2=O)c2ccccc21 2323163451 LBFANORFCCQJRJ-UHFFFAOYSA-N 439.467 5.798 30 10 IKEE Cc1cc(OC(=O)CCCOc2ccccc2)cc2c1C(=O)C(=Cc1ccc(Cl)cc1)O2 2323177897 GPUATQBHLMZWIM-UHFFFAOYSA-N 448.902 6.029 30 10 IKEE Cc1c(OC(=O)C(c2ccccc2)c2ccccc2)ccc2c1OC(=Cc1ccccc1)C2=O 2323211526 MTEHWVHFITZCCS-UHFFFAOYSA-N 446.502 6.349 30 10 IKEE COc1cccc(C=Nn2c(S)nnc2C2CCCCC2)c1OCc1cccc(C)c1 2323485599 DNTIUQOJGYKXTP-UHFFFAOYSA-N 436.581 5.393 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3c(C)cccc3C)c(Cl)c2)c(C)c1 2323854674 MTFIHJLDWVOHMU-UHFFFAOYSA-N 447.962 6.487 30 10 IKEE C=CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1 2323865311 JRIZWUZGHNJVGI-UHFFFAOYSA-N 430.431 5.534 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 2323896267 GUURJIGPMDXDPV-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OCC(=O)NCc3ccccc3)c(Cl)c2)ccc1F 2323969346 UXXJTZOKZFKECK-UHFFFAOYSA-N 437.898 5.379 30 10 IKEE Cc1cc(O)c(CN2CCCCC2)c2c1C(=O)C(=Cc1ccc(-c3ccccc3)cc1)O2 2323985173 UUJIAQDMKMHKQU-UHFFFAOYSA-N 425.528 5.970 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OCc1c(F)cccc1Cl 2323985321 BTJFUMUCSDTQJC-UHFFFAOYSA-N 428.862 6.410 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)cc(Cl)c1OCc1ccccc1F 2324124758 FVWRTQFCOVDJCZ-UHFFFAOYSA-N 446.905 7.116 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(O[C@H](C)C(=O)Nc4ccc(C)cc4)c3C)C2=O)cc1 2324380658 BMYRBRGRZFZCLD-LJQANCHMSA-N 441.527 5.888 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2OC)ccc1OCc1ccccc1F 2324474860 GPNILOYCTQHEGK-UHFFFAOYSA-N 436.479 5.717 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(F)c(C)c3)c2)cc1 2325739257 QXEWZYQCOOYLKC-UHFFFAOYSA-N 432.491 5.967 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccccc4F)c3C)C2=O)cc1 2325739464 XVRJWHPXBTZMDX-UHFFFAOYSA-N 447.462 5.167 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2ccc(F)c(C)c2)cc1OC(=O)CC(C)C 2325741629 MKNPRLDUGIHUOF-UHFFFAOYSA-N 449.316 5.753 30 10 IKEE COc1ccccc1CCC(=O)Oc1cccc(C=CC(=O)c2cc(C)ccc2OC)c1 2325743598 ZYCJMDJDHGOGNR-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE CSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1c[nH]c2ccccc12 2325988004 XUBPAKQJRMHIJX-UHFFFAOYSA-N 425.945 5.029 30 10 IKEE CCc1nnc(SCc2ccc(F)cc2)n1N=Cc1c(Cl)ccc(Cl)c1Cl 2326243224 BISVWONCJAIJDR-UHFFFAOYSA-N 443.762 6.114 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccc(OC)c(OC(C)C)c1 2326306217 OKQUMNHPVIIBMO-UHFFFAOYSA-N 438.597 5.509 30 10 IKEE Cc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1ccc(Cl)cc1Cl 2326322748 UPUIFBGWSIHHGR-UHFFFAOYSA-N 433.408 6.365 30 10 IKEE CCCOc1ccc(C=Nn2c(C)nnc2SCc2ccc(C)cc2C)cc1Cl 2326433211 DNHWTVKLLKDKAA-UHFFFAOYSA-N 428.989 5.820 30 10 IKEE COc1cc(C=Nn2c(C)nnc2SCc2cccc(Cl)c2)cc(Cl)c1OC 2326467507 GVQOICLZFYKFJO-UHFFFAOYSA-N 437.352 5.085 30 10 IKEE Clc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2cccs2)cc1 2327557873 SKBRGKHOMMURFH-UHFFFAOYSA-N 440.981 5.747 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccccc3C)n2N=Cc2ccccc2)CC1 2328125390 LFNSYBRCAWPZNO-UHFFFAOYSA-N 446.664 7.225 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3F)n2N=Cc2ccncc2)c1 2329743460 QSLUEBCPRKVPLY-UHFFFAOYSA-N 431.540 5.194 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccccc3)nnc2[C@@H](C)c2ccccc2)c1O 2330104843 DOASUXFQEZHOFG-SFHVURJKSA-N 444.560 5.319 30 10 IKEE Cc1ccc(O)c(C=Nn2c(Cc3cccs3)nnc2SCc2cccc(F)c2)c1 2330359129 RCEWXOQKSJDKMG-UHFFFAOYSA-N 438.553 5.258 30 10 IKEE CCN(Cc1ccccc1)c1ccc(C=Nn2c(SC)nnc2-c2cccs2)cc1 2330522185 MESRISSZBUXYQW-UHFFFAOYSA-N 433.606 5.637 30 10 IKEE Oc1ccc(Cl)cc1C=Nn1c(SCc2ccc(F)cc2)nnc1-c1cccs1 2330540065 FECBBDSIIFLFSP-UHFFFAOYSA-N 444.944 5.679 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccccc3)n2N=Cc2ccc(C(C)(C)C)cc2)c1 2330645916 RWTLYMDPPXBDKC-UHFFFAOYSA-N 440.616 6.726 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)CCCC4)cc2Cl)cc1 2330682873 SLWVFZJTWVPWKL-UHFFFAOYSA-N 430.931 6.643 30 10 IKEE CCCCCCOc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCCC)cc1OC 2330860238 DZPFZEYXHKHJSD-UHFFFAOYSA-N 446.661 6.219 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2)ccc1OC(=O)Cc1ccccc1F 2330874464 XUECRCBMGBKWAB-UHFFFAOYSA-N 448.490 5.586 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)c1cccnc1 2331155029 KBBGDHXUXNMIAW-UHFFFAOYSA-N 433.891 5.587 30 10 IKEE O=C(CCCOc1ccc2ccccc2c1)Oc1ccc(C=CC(=O)c2ccccc2)cc1 2331161968 CFQCGPSVJAAJIZ-UHFFFAOYSA-N 436.507 6.501 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2)c(C)c1 2331216292 OYBPAZXQJVHWTO-UHFFFAOYSA-N 440.495 5.565 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CC(C)C)c(Br)c2)cc1 2331304884 QFUAXCQYTBVPTN-UHFFFAOYSA-N 445.353 6.086 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)[C@@H]1CCCO1 2331340812 SENOEWUKDJQUON-FQEVSTJZSA-N 432.875 5.167 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(F)cc1F 2331402822 VCQNCZQCZQAEAN-UHFFFAOYSA-N 436.531 6.182 30 10 IKEE COc1cc(C=Nn2c(CC(C)C)nnc2SCc2ccccc2)ccc1OC(C)C 2331453907 XPZDUZROYZPQRC-UHFFFAOYSA-N 438.597 5.447 30 10 IKEE CC(C)Cc1nnc(SCc2ccccc2Cl)n1N=Cc1c(F)cccc1Cl 2331456569 FAOKDQBRNIALCB-UHFFFAOYSA-N 437.371 6.097 30 10 IKEE Cc1cnc(C(=O)Oc2ccc(C=CC(=O)c3cccc4ccccc34)cc2Cl)cn1 2331472683 NMLCBDYXYSVSBG-UHFFFAOYSA-N 428.875 5.707 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)[C@@H]1CCCO1 2331499891 BUIHXIVBWNEZTN-QFIPXVFZSA-N 442.939 5.843 30 10 IKEE Cc1cncc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2Br)c1 2331525567 CCUIWYVVHLBZBO-UHFFFAOYSA-N 440.268 5.407 30 10 IKEE COc1ccc(OC)c(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CCC2)c1 2331541591 JGNHGVUJYLTTLM-UHFFFAOYSA-N 442.972 5.391 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3)cc2)cc1C(C)C 2331571821 UJZKPAUPICFPNI-UHFFFAOYSA-N 442.555 6.561 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1cccc(Cl)c1 2331711555 AMKHSDGMEWKRFE-UHFFFAOYSA-N 434.919 6.471 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccn3)c(OC)c2)c(OCC)c1 2331741014 BWRITOYEKYWPGY-UHFFFAOYSA-N 447.487 5.003 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(C)c(C)c2)cc1 2331741532 UDLIQCDKMXXTKT-UHFFFAOYSA-N 434.919 6.389 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1 2331859752 YAGFPLVKXXYQAQ-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE CCCCCCC[C@@H](NCCC)c1cc(Br)ccc1OCc1ccccc1 2361168863 PTVRQUUQVBHIOW-HSZRJFAPSA-N 432.446 7.429 30 10 IKEE CC#CCN(C[C@@H](NCCC)c1cc(F)c(Br)cc1F)C(=O)OC(C)(C)C 2363131253 SPBOKABOHFWVPQ-GOSISDBHSA-N 445.348 5.028 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CCC(=O)C#Cc2cccc(Br)c2)C1(C)C 2370401629 LGKFRSHREPHJPG-APWZRJJASA-N 434.374 5.089 30 10 IKEE Cc1cc(/C=C2\CC/C(=C\c3cc(C)n(-c4ccccc4)c3C)C2=O)c(C)n1-c1ccccc1 4762428 RPBOEZYGGFKWQO-FQHZWJPGSA-N 446.594 7.332 30 10 IKEE CCOc1ccc(C(=O)NC(=S)Nc2ccc(C3(C#N)CCCC3)cc2)cc1Cl 20497159 FPVYEQOFKVLABC-UHFFFAOYSA-N 427.957 5.201 30 10 IKEE CCCCOc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(OCC)cc1)C2 21253484 QRFGYEPVKGWHDT-SIKLNZKXSA-N 433.548 5.269 30 10 IKEE CCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccc(F)cc1)C2 21257112 GZJUYJHSTCCDPE-DNOBIOAJSA-N 428.507 6.204 30 10 IKEE Cc1ccc(S(=O)(=O)/N=C(/Nc2ccc(OC(F)(F)F)cc2)c2ccccc2)cc1 27490191 ADINRMBCRQKGLF-UHFFFAOYSA-N 434.439 5.141 30 10 IKEE Cc1ccc(-n2c(C)cc(/C=C(\C(=O)c3ccccc3)c3nc4ccccc4[nH]3)c2C)cc1 34896204 SXIQDAJJHZBHMM-XIEYBQDHSA-N 431.539 6.702 30 10 IKEE O=C1NC(=N/c2ccc(Cl)cc2)/C(=C/c2ccc3noc(-c4ccccc4)c3c2)S1 35515920 FOLPKCKBERJXAO-MOSHPQCFSA-N 431.904 6.676 30 10 IKEE C=CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(CC)cc2)cc1 39872410 TZIUFBKJMXDYOV-RUZDIDTESA-N 437.495 5.670 30 10 IKEE Cc1c(C(=O)Nc2ccc(F)cc2F)oc2c1/C(=N/Nc1ccc([N+](=O)[O-])cc1)CCC2 40814804 AIDDYWZPUUGZAQ-OVVQPSECSA-N 440.406 5.179 30 10 IKEE CCOc1cc(/C=C2/C=C(c3ccc(C)cc3)OC2=O)ccc1OCc1ccccc1C#N 96477251 LSVYXRZLQYOFKS-OYKKKHCWSA-N 437.495 5.826 30 10 IKEE CCCCCCCCCCCCCCCCNC(=S)NC(=O)/C=C/c1ccc(F)cc1 100075202 IWBGMJFEQDTULX-DYTRJAOYSA-N 448.692 7.311 30 10 IKEE CCCCCCCOc1ccc(NCC(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)cc1 100077432 FVQHFISUEIELGD-RUZDIDTESA-N 440.584 5.644 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1cccc(NC(=O)CCC)c1 100444086 LWNHVHCLKLOCBK-UHFFFAOYSA-N 447.689 6.939 30 10 IKEE CCCCCCCCOc1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 100972533 AZKKCIQWYPTQDS-UHFFFAOYSA-N 434.920 6.005 30 10 IKEE CCCCCCCCCCCCCCCCCCn1c(C(F)(F)F)nc2ccccc21 102184361 PMEMHCBSGLLUSP-UHFFFAOYSA-N 438.622 9.317 30 10 IKEE CCCCCCCCCCCCn1c(COc2ccc(C(C)(C)C)cc2)nc2ccccc21 102188384 GBUWRMJAGGBMSC-UHFFFAOYSA-N 448.695 8.834 30 10 IKEE O=C(/C=C\c1ccccc1)Oc1ccc2c(c1)O/C(=C/c1ccc(Cl)c(Cl)c1)C2=O 102720296 ZYWLIPCLIKKAIW-BAYGHTKZSA-N 437.278 6.228 30 10 IKEE CCCCCCCCCCCCN1C(=O)/C(=C/Nc2ccccc2OC)SC1=S 102985226 UKYYSFDAGWAHGW-UZYVYHOESA-N 434.671 6.730 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2cccc(OC)c2)c1 169933991 KQLVCCLKVZWYAV-XMMPIXPASA-N 443.499 5.104 30 10 IKEE COc1cc(/C=N\Nc2nc(C)c(C)s2)cc([N+](=O)[O-])c1OCc1ccccc1C 169943251 SEEMZZMJGLECHM-JJFYIABZSA-N 426.498 5.010 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(Cl)ccc2O)[C@H]1c1cccs1)c1cccc(Cl)c1 169987367 KISFGXQCMPDSEX-SFHVURJKSA-N 446.311 5.543 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccn2)cc1 169992273 ZGRZEFGMALSBHT-JOCHJYFZSA-N 430.479 5.301 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccncc2)c(C)c1 170016348 HOGOCDBQFNJDON-DEOSSOPVSA-N 442.515 5.305 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 170029468 UOOZXXIBECLAOH-QHCPKHFHSA-N 431.463 5.316 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccccc2)cc1 170048850 ULURMDYIRGBHHW-QHCPKHFHSA-N 431.919 6.246 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccccc2F)ccc1F 170070470 DQQSLIKXNBCEPM-NRFANRHFSA-N 439.845 5.710 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)[C@H]2c2ccco2)cc1C 170095097 UXZKQGOJLLGIET-QHCPKHFHSA-N 447.487 5.167 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1cccc(C)c1 170140103 DJDPGUMKPLLIRL-QHCPKHFHSA-N 445.490 5.542 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC)c2)[C@@H]1c1ccccc1OC(C)C 170150767 OPGCCSFKWOIZJH-QHCPKHFHSA-N 437.536 5.251 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@H]2c2cccs2)c1 170156844 BKEGLKAIPXQYAO-QFIPXVFZSA-N 433.529 5.492 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2cccs2)c1 170157946 HCFZGMFMSOXQKL-JOCHJYFZSA-N 433.529 5.547 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccn2)ccc1OC(C)C 170168161 PPDDPSOKHZLYMI-QFIPXVFZSA-N 448.544 5.017 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2cccnc2)cc1Cl 170187398 RDKRTBLPZOZDIS-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccccc2)cc1C 170223852 NFWLBPXLGORGDO-VWLOTQADSA-N 441.527 5.793 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccc2)cc1Cl 170224020 OWCGGWMUXNKJNA-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2)ccc1OCC(C)C 170226307 BOMBBLOVNRMOEN-VWLOTQADSA-N 441.527 5.813 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccc2F)c(C)c1 170247747 WLBNIZJVUJLBFP-QFIPXVFZSA-N 435.426 5.065 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C2CCCCC2)cc1 170266605 RDFSDFMVYNDGDH-AREMUKBSSA-N 439.555 6.313 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@@H]1c1ccc(CC)cc1 170267599 TXXCKNXIOVOKPT-DEOSSOPVSA-N 449.591 5.934 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)CCO3)=C(O)C(=O)N1c1ccccc1C 170273244 QWDWNBSTLJMVMV-DEOSSOPVSA-N 425.484 5.021 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccco2)c1 170278979 NDWVGYSLNJAPHG-QHCPKHFHSA-N 447.487 5.248 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccco2)cc1C(C)C 170282912 AHAATPHMTNQQIF-DEOSSOPVSA-N 445.515 5.811 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2Cc2ccco2)o1 170307105 SBHOPPDHEQJSRW-QHCPKHFHSA-N 449.503 5.303 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1sccc1C 170314523 RNLWHILUSMLEQD-FQEVSTJZSA-N 449.528 5.170 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2sccc2C)c(C)c1 170315086 OOCRRCPTTZUUNH-NRFANRHFSA-N 433.529 5.465 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 170342186 BZQKHFFEQKBVOR-RUZDIDTESA-N 440.543 5.624 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccc3ccccc23)c1 170369195 HMOXURANTSFMSZ-QHCPKHFHSA-N 441.508 5.693 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(F)c(F)c2)cc1 170452454 VNVHTAPMMCYBRN-OAQYLSRUSA-N 442.506 5.326 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]1c1cccc(Oc2ccccc2)c1 170456688 YWAJLNDACZKJDC-SANMLTNESA-N 441.527 6.303 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)CC(C)C)[C@H]1c1ccc(C(C)(C)C)cc1 170467031 BRWFJKGFGABANB-XMMPIXPASA-N 435.564 5.504 30 10 IKEE CCOc1ccc2c(c1)O/C(=C/c1ccc(OC(=O)c3ccccc3C)c(OC)c1)C2=O 210084843 BWMMNSXOKCKVTI-ZVHZXABRSA-N 430.456 5.238 30 10 IKEE COc1ccc(/C=C2/SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1OC 252626181 QXYJCFCFJPHJHK-GUGSDYAWSA-N 444.556 6.129 30 10 IKEE C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)C)cc2)SC1=Nc1c(C)cccc1C 252628937 TVEUZCVLQJDPAK-NRFANRHFSA-N 435.593 5.573 30 10 IKEE C[C@H](Nc1cc(I)ccc1Br)c1ccc(C#N)cc1 311620746 IGUJKMKPJJHNRC-JTQLQIEISA-N 427.083 5.098 30 10 IKEE Cc1ccc([C@H]2C(c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526519726 DROIWXZSNHGCDP-QFIPXVFZSA-N 435.310 6.231 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(Cl)cc2)c1OC 526521167 LCDUERKYJBTXGA-JOCHJYFZSA-N 446.890 5.286 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccc(Cl)c2)cc1OC 526607240 UEMHDEKDUMBUGD-HSZRJFAPSA-N 446.890 5.286 30 10 IKEE CC(C)(C)c1ccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccco2)cc1 526805454 GVZULCMLFDWLIW-IMRQLAEWSA-N 444.604 6.128 30 10 IKEE CCOc1cccc(/C=N\n2cnnc2SCc2c(Cl)cccc2Cl)c1OC 526813753 DBNNAUHFHPVLBT-RMORIDSASA-N 437.352 5.167 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1c(O)ccc2ccccc12 526816970 RHBGIDUHJJKXFC-QFEZKATASA-N 436.968 5.917 30 10 IKEE CCOc1ccc(/C=N\n2c(C)nnc2SCc2cccc(F)c2)cc1Br 526825148 LKCFMNUFJVRGGW-JJFYIABZSA-N 449.349 5.061 30 10 IKEE CC(C)COc1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2cccs2)cc1 586216668 YOTCDSUBDYLJJZ-UHFFFAOYSA-N 426.563 5.050 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@H](C#N)c1cccc(OCc2ccccc2)c1 698437769 LZIKPSPKHDAVQC-RUZDIDTESA-N 428.532 6.268 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1cc(F)c(F)cc1F 698486794 CJDZAWRSIXVLCX-KRWDZBQOSA-N 441.247 5.873 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@H](C#N)c1cc(F)ccc1Br 698831375 YITYFPZZSUYVLK-GOSISDBHSA-N 425.342 6.113 30 10 IKEE O=C1C(=C/C=C/C=c2c3cccc4cccc(c43)n2Cc2ccccc2)C(=O)c2ccccc21 1082889385 RRHDPPACGPNJNB-QSRYJJTOSA-N 439.514 5.904 30 10 IKEE CC(C)(C)c1ccc(CSc2n[nH]c(NN=Cc3cccc(Cl)c3Cl)n2)cc1 1083990496 FKWQSDYYDZEJPZ-UHFFFAOYSA-N 434.396 6.147 30 10 IKEE O=C1NC(=NN=Cc2ccco2)S/C1=C/c1ccc(-c2c(Cl)cccc2Cl)o1 1772723911 CITYEBDFSKZRQJ-GPZITITASA-N 432.288 5.440 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)SC1=Nc1cccnc1 1772732496 XPGVUFLOYGGJTG-NZBFAAGASA-N 446.488 5.348 30 10 IKEE Cc1csc(N=C2S/C(=C/c3c(Cl)cccc3Cl)C(=O)N2c2ccccc2)n1 1772736373 JEQPSHXXKRZJSJ-PWSGBSGUSA-N 446.384 6.567 30 10 IKEE C=CCOc1ccccc1/C=C1/SC(=Nc2nnc(C)s2)N(C2CCCCC2)C1=O 1772738275 OEQCKFNHGXDLHL-VUARGGTQSA-N 440.594 5.348 30 10 IKEE CC(C)c1ccc(/C=C2/SC(=Nc3ccncc3Cl)N(C3CCCCC3)C2=O)cc1 1772739205 YVUFMZCMUWIPGH-MBTIHVDPSA-N 440.012 6.795 30 10 IKEE C/C(C=NN=C1S/C(=C\c2ccc(F)cc2)C(=O)N1Cc1ccco1)=C/c1ccccc1 1772758783 DFZATLBSPNDLAM-YLESHHBMSA-N 445.519 5.981 30 10 IKEE COc1cccc(NC(=S)N/N=C\c2cn(-c3cccc(C)c3)nc2-c2ccccc2)c1 1857809125 MDLXKBFTDVYXNJ-QQXSKIMKSA-N 441.560 5.177 30 10 IKEE N#Cc1cccc(C(=O)Nc2ccc(Cl)c(NC(=O)COc3ccccc3Cl)c2)c1 1860461456 ASFHJWYXMBPPRV-UHFFFAOYSA-N 440.286 5.135 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)CCc1ccc(OC)cc1)[C@@H](C)CC 1861085036 SOGWHIKAHVMEAB-SQJMNOBHSA-N 432.649 5.416 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(O)cc1 1862382961 PVTJMBRODOMIOA-LJQANCHMSA-N 434.319 5.323 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862412438 DSHMFEQDTDNGQD-HSZRJFAPSA-N 439.502 5.964 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc2ccccc12)c1ccc(F)cc1F 1862420782 RLFFOTKHMFRQCD-HSZRJFAPSA-N 445.421 5.490 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(F)cc1 1862430352 IPKHCDFXDFTVFT-AVRDEDQJSA-N 443.946 6.416 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(F)cc1F 1862432980 RLBXAZRDODYWNO-FQEVSTJZSA-N 449.881 5.012 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccccc1[N+](=O)[O-] 1862436673 ZCFBIZVNKPCRLD-HXUWFJFHSA-N 442.899 5.407 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccc(Cl)c2)[C@@H]1c1ccccc1)c1cccc(Cl)c1 1862441203 BSXQBWUVDOEUTP-OAQYLSRUSA-N 438.310 5.772 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCc2ccccc2)cc1 1862444618 CFQNZSZDRFHJII-DEOSSOPVSA-N 445.946 5.723 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1Br 1862487816 KCFFKMXEJQWPGW-AUUYWEPGSA-N 428.326 5.134 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@@H]2c2ccc(O)cc2)cc1 1862530300 PHJOAJFQEMMJLR-RUZDIDTESA-N 441.527 5.084 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccccc2F)cc1 1862530594 TWIRVUUDUYMDMG-DEOSSOPVSA-N 447.481 5.348 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862564082 RVAGTGRPVAECCM-DEOSSOPVSA-N 448.563 5.359 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(N(CC)CC)cc1 1862657394 DISLJNJWTZALLC-RUZDIDTESA-N 440.543 5.450 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(OC)cc1 1862674111 SPGRFNLTZWCKPK-OFNKIYASSA-N 439.527 5.772 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2C2CCCCCC2)c1 1862694529 LZOWXLXOQBSDKR-XMMPIXPASA-N 449.547 5.395 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2C2CCCC2)c1 1862721238 CGANJYGJTYFMDH-AREMUKBSSA-N 437.539 6.183 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862746228 BDGPEGTXTDHVIW-HSZRJFAPSA-N 448.519 5.594 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(Cl)c3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1C 1862879550 UPZDMEIPGWBQGL-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(OCC)cc2)C1=O 1863211214 HITNAIKBULSUEZ-JOCHJYFZSA-N 445.563 5.508 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(Nc2ccccc2C#N)=C(c2ccccc2Cl)C1=O 1863452345 IQURWYKGILCNHX-GOSISDBHSA-N 435.955 5.763 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C)cc2C)=C(c2c[nH]c3ccccc23)C1=O 1863493426 PKIVVQWQZYLEFR-UHFFFAOYSA-N 443.591 6.337 30 10 IKEE CCCCCCCCNC1=C(c2ccc(F)cc2)C(=O)N(CCc2ccc(C)cc2)C1=O 1863513111 FEXMACUDBGUPBS-UHFFFAOYSA-N 436.571 5.407 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2cc(C)ccc2C)=C(c2ccccc2OC)C1=O 1863765220 PUHOWLGLIDFJJD-UHFFFAOYSA-N 448.607 5.542 30 10 IKEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2CCC)[C@H]1c1ccccc1 1864007679 RVZIENYUSYVGIH-OAQYLSRUSA-N 438.616 5.027 30 10 IKEE CCCC[C@H](NC(=O)C[C@H](c1ccc(Cl)cc1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866764929 XJQFAURTBYCVMQ-GOTSBHOMSA-N 439.987 5.655 30 10 IKEE CCCCCCOc1ccc(NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)cc1 1868171785 RTSZZSVIKICZFX-QFIPXVFZSA-N 425.598 5.623 30 10 IKEE CCc1cccc(OC2CCN(c3cc(Nc4ccccc4C#N)nc(C(C)C)n3)CC2)c1 1868237825 DZUMQVVDYFTIMW-UHFFFAOYSA-N 441.579 5.825 30 10 IKEE Cc1ccccc1-c1nc(Nc2ccc(C#N)cc2)cc(N(C)CC(C)(C)c2ccccc2)n1 1868311572 TYMUUMJRJRCPQW-UHFFFAOYSA-N 447.586 6.481 30 10 IKEE COc1ccc2c(c1)C[C@@H](C)CN2c1cc(Nc2ccccc2C#N)nc(C(C)(C)C)n1 1868351187 RTPOIEKSBNFOGK-QGZVFWFLSA-N 427.552 5.728 30 10 IKEE C=CCN(CC=C)c1cc(N2CCO[C@@H](c3ccccc3)C2)nc(-c2ccccc2Cl)n1 1869240146 GNAGWGHFNLZAMF-HSZRJFAPSA-N 446.982 5.553 30 10 IKEE CC(C)(C)c1ccc(/C=C/C(=O)Nc2c(C#N)nnn2-c2cccc(C(C)(C)C)c2)cc1 1870140758 IEJLDIXJRNMLBE-NTCAYCPXSA-N 427.552 5.386 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(C)cc2)c(CSc2ccccc2)cc1=O 1870259772 IHVBILOJFGWPBK-UHFFFAOYSA-N 435.633 6.847 30 10 IKEE C=CCOc1cn(CCCCc2ccccc2)c(CNc2ccc(OC)c(OC)c2)cc1=O 1870809507 HDRHIBADMRZRCA-UHFFFAOYSA-N 448.563 5.065 30 10 IKEE CCCCCCCOc1cn(CCCOC(C)C)c(CNc2cccc(C)c2)cc1=O 1870837339 ANALEPSWPFAVKD-UHFFFAOYSA-N 428.617 5.933 30 10 IKEE C=CCn1cc(OCc2cccc(C)c2)c(=O)cc1CNc1ccc(OCCCC)cc1 1871069940 HAXXNMIQCUQFIR-UHFFFAOYSA-N 432.564 5.713 30 10 IKEE CCCN1COc2c(cc3c(c2C)O/C(=C\c2cn(CC)c4ccc(OC)cc24)C3=O)C1 1871352366 DCAHSXLTBQLQJX-KSEXSDGBSA-N 432.520 5.156 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc(C)c3C2=O)c1 1871374001 ZHRDPHRQYVNJHA-UUYOSTAYSA-N 445.427 5.056 30 10 IKEE CCCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccnc2)C3=O)cc1 1871378426 MMJBEFSADAEJKI-AMWSURNQSA-N 441.483 5.414 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc([N+](=O)[O-])cc4)ccc3C2=O)cc1 1871381242 OUOVKVJHXNQMPU-DHLMYGRGSA-N 441.439 5.392 30 10 IKEE CC(C)(C)c1ccc(/C=C2\Oc3cc(OC(=O)CCc4ccccc4)ccc3C2=O)cc1 1871385947 VKYVFSVROLAAME-UQQQWYQISA-N 426.512 6.139 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(OC)cc2)C3=O)cc1 1871390016 ZZXVLDCATXRSFU-IWIPYMOSSA-N 428.440 5.095 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(CN(C)C4CCCCC4)c(O)cc(C)c3C2=O)cc1 1871393412 KUMKJKUPDQPJDE-UQQQWYQISA-N 448.607 5.928 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4cccc(Cl)c4C)ccc3C2=O)o1 1871406648 JFLQVZYOBPZZOG-QZDMBBGESA-N 437.879 5.572 30 10 IKEE CCOc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871407890 QBIIVCRPNBDDPL-AOBKZXEFSA-N 443.499 5.416 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccc(F)c(Cl)c4)c3C)C2=O)o1 1871441341 LCJUKTDFVZWDAD-JMIUGGIZSA-N 441.842 5.323 30 10 IKEE CCn1cc(/C=C2\Oc3c(ccc(OCCN4CCCCC4)c3C)C2=O)c2ccccc21 1871451250 LOHUZBLQLTWIDA-UQQQWYQISA-N 430.548 5.451 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O)Nc1ccccc1Cl 1871455514 PWQOVYCVAANDQX-NHDPSOOVSA-N 440.282 5.627 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 1871878444 DFBDRDNSSKPVCZ-NRFANRHFSA-N 434.989 5.104 30 10 IKEE C=CCN([C@H](CC(C)C)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1cc(C)ccc1C 1871983790 KJVMFQFRRYPYJW-HSZRJFAPSA-N 442.625 5.150 30 10 IKEE N#C[C@@H](C(=O)C(c1ccccc1)c1ccccc1)c1nc(-c2ccc(F)c(F)c2)cs1 1872777249 JLLYWLLAEWCHGY-IBGZPJMESA-N 430.479 6.097 30 10 IKEE CCCSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1ccc(CC)cc1 1874226590 RVYNOCLSGFVDSL-NLRVBDNBSA-N 436.625 5.853 30 10 IKEE Cc1cccc(OCCCc2nnc(SCc3ccccc3)n2/N=C/c2cccnc2)c1 1874246970 FSBWFEOEFKBXTQ-OVVQPSECSA-N 443.576 5.168 30 10 IKEE CCSc1nnc(COc2c(C)cccc2C)n1/N=C/c1c(Cl)cccc1Cl 1874299499 DIIFMCOYCQRWIV-FOKLQQMPSA-N 435.380 5.775 30 10 IKEE CCCSc1nnc(CCc2cccc(OC)c2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874310659 HPVVAXIQDJWWEL-ZVHZXABRSA-N 449.407 5.763 30 10 IKEE Cc1ccc(OCc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccc[nH]2)cc1C 1874319262 IRJVTYGJIJYHPV-LGJNPRDNSA-N 435.528 5.116 30 10 IKEE Cc1ccccc1CSc1nnc(CCOc2ccccc2)n1/N=C/c1ccc(O)cc1 1874345132 YEMUAAXBBRBPAV-YZSQISJMSA-N 444.560 5.088 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2ccccc2Cl)n1/N=C/c1cccnc1 1874375932 VRXTXPYTVFLRHQ-VULFUBBASA-N 437.931 5.231 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2ccccc2F)nnc1[C@@H](C)c1ccccc1 1874395921 YMPLSJCYSPODCX-FQNOVECQSA-N 430.552 6.052 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@@H](C)c3ccccc3)n2/N=C/c2ccccn2)c1 1874399594 UEWGUNFMZRTUDZ-BJRSOBTISA-N 427.577 5.616 30 10 IKEE C=CCSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1ccc(OCC)c(OCC)c1 1874399645 AWOOJCMRUYQGMB-WLXKGNRNSA-N 436.581 5.388 30 10 IKEE Clc1ccccc1CSc1nnc(CCc2ccccc2)n1/N=C/c1cccs1 1874403801 STYLMGADVWQHTL-BUVRLJJBSA-N 439.009 5.953 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2/N=C/c2ccccc2)cc1C 1874420863 IQZUUKARDUERPW-ZVHZXABRSA-N 447.589 5.236 30 10 IKEE Clc1ccc(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2cccs2)cc1Cl 1874450779 JJWOHKMGPHIBML-CTJICSLTSA-N 439.393 5.672 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CCCC2)c1 1874456443 SCCRTERZSOXPTP-JVWAILMASA-N 442.588 6.277 30 10 IKEE Fc1ccc(CSc2nnc(-c3ccco3)n2/N=C/c2cccc3ccccc23)cc1 1874464616 STUNCVBMUJJBLI-CVKSISIWSA-N 428.492 6.005 30 10 IKEE COCCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874471717 SYIRWGQQEUMNRN-FOKLQQMPSA-N 439.343 5.087 30 10 IKEE Cc1cccc(CSc2nnc(C(C)(C)C)n2/N=C/c2ccc(Cl)c(Cl)c2)c1 1874482562 HGIIIWSREIQEAW-WYMPLXKRSA-N 433.408 6.365 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(CC(C)C)nnc2SCc2ccc(F)cc2)cc1 1874488048 WNJKGFILSDBWTR-WGOQTCKBSA-N 439.604 5.636 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2sccc2C)cc1C 1874488881 OAALAWJDQXZUGX-FSJBWODESA-N 441.626 5.076 30 10 IKEE CC(C)Cc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874491345 MGTIIXCIDYFIQM-WSDLNYQXSA-N 429.933 5.213 30 10 IKEE CCOc1c(/C=N/n2c(SCc3ccc(F)cc3)nnc2C(C)C)cccc1OC 1874511785 AJUMODKRWYGREH-ZMOGYAJESA-N 428.533 5.122 30 10 IKEE O=C(CSc1nnc(C2CC2)n1/N=C/c1c(Cl)cccc1Cl)Nc1ccccc1 1874517059 QWPSJMPIASHWKJ-FOKLQQMPSA-N 446.363 5.075 30 10 IKEE CCOc1cc(/C=N/n2c(CC)nnc2SCc2cccc3ccccc23)ccc1O 1874526285 VUYDGJDELUKIPP-MFKUBSTISA-N 432.549 5.273 30 10 IKEE CCOc1ccc(/C=N/n2c(S)nnc2CCc2cccc3ccccc23)cc1OCC 1874567929 YOLAVWGDDOOIGB-YZSQISJMSA-N 446.576 5.185 30 10 IKEE O=C(/C=C/c1c(OCc2cccc(F)c2)ccc2ccccc12)c1ccc2ccccc2c1 1874571344 INRRYERDCVNSST-FOCLMDBBSA-N 432.494 7.607 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1ccc(F)cc1)c1cccc(Br)c1 1874575756 FOZYJQDKRYKICZ-UXBLZVDNSA-N 445.715 6.717 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 1874577810 GXKGJWGZTVLWES-NTUHNPAUSA-N 437.879 6.122 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OCc1c(Cl)cccc1Cl 1874614827 RRDNIEHQPRJYQD-ACCUITESSA-N 427.327 6.867 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1 1874621901 AXZXJHVGJRDRGD-UBKPWBPPSA-N 431.507 6.037 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OCc1ccccc1 1874622131 NMFHSBVOKJOHIU-XNTDXEJSSA-N 434.963 7.121 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cc4ccccc4n3C)c2)c1 1874695164 NJUNNEJQAVNFLK-ACCUITESSA-N 441.483 5.311 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1OC(=O)CCc1ccccc1 1874706046 MYDQQIYIVBGSOD-LICLKQGHSA-N 442.555 6.427 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)Cc3ccccc3[N+](=O)[O-])c2)c(C)c1 1874716190 GNNYQTSRXIKTAB-VAWYXSNFSA-N 429.472 5.564 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)COCc2ccccc2)c1 1874718324 NPWQBTLEUBBJMY-ZRDIBKRKSA-N 436.891 5.367 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc1OC(=O)c1ccccc1 1874719023 WVQKCGLGCLEQHT-NTCAYCPXSA-N 438.479 5.972 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc(OC)c1OC(=O)c1ccco1 1875103927 XNLQLCHOCNLNCN-PKNBQFBNSA-N 448.471 5.149 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(F)cc1F 1875122969 QADMVCMADARJNY-WEVVVXLNSA-N 428.818 5.742 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccccn1 1875132195 JSYCSYMKBMGXCF-WEVVVXLNSA-N 428.271 5.512 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)cc(Cl)c1OC(=O)c1ccco1 1875145644 QYCWTYLSRMYGJZ-CMDGGOBGSA-N 440.879 5.764 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OC(=O)C(C)(C)C 1875151162 XMFAUMOAKVGGNH-SOFGYWHQSA-N 430.884 5.315 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)c1ccccn1 1875155734 RKSJABRMQVCMNP-MDWZMJQESA-N 431.488 5.338 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(C)cc2)c(Cl)c1 1875170784 PYKPPEMSVOYXBT-YRNVUSSQSA-N 434.919 6.389 30 10 IKEE CCCCC(=O)Oc1c(OCC)cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1[N+](=O)[O-] 1875174642 BJSINCNZKOPRIZ-ZRDIBKRKSA-N 425.481 5.602 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2ccc(OC(=O)CC(C)C)c(OC)c2)cc1Cl 1875175877 LBMCNARDSDXAET-SOFGYWHQSA-N 432.900 5.213 30 10 IKEE CCCCCCC[C@@H](N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875669444 PCJPPEUKDIOHLE-GGXMVOPNSA-N 447.619 6.566 30 10 IKEE C=CCC[C@H](C)SC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1883385543 ZWGDSZOXMNKMKK-AOMKIAJQSA-N 425.550 5.066 30 10 IKEE C=C(COCc1ccccc1)[C@H](NC)[C@@H]1C[C@H](C(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1950371349 CSARNKHIZODWEK-VJBWXMMDSA-N 430.633 5.267 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1c(Br)cncc1Br 1978562606 HORSBOCMKRMJDH-SFHVURJKSA-N 440.179 5.030 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CN(C(=O)OC(C)(C)C)C2(CCC2)C1 2001525475 GBNHPTXTGZJUKI-PKTZIBPZSA-N 428.617 5.307 30 10 IKEE C[Si](C)(C)C#CC[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2016728275 XSEABLPOWIVACO-RUZDIDTESA-N 430.620 6.149 30 10 IKEE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1C 2032559914 BLVHVOMIIKGECC-DFBJGRDBSA-N 443.588 5.666 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)C2(C#N)[C@H](C)CN(Cc3ccccc3)C[C@H]2C)c1 2037936498 QNRDHPSMNDXKDV-FGZHOGPDSA-N 433.596 5.787 30 10 IKEE Cc1ccc(N(CCC#N)C(=O)COC(=O)C(=Cc2cccs2)c2cccs2)cc1 2040422081 MBBWANXJSAHTNP-UHFFFAOYSA-N 436.558 5.149 30 10 IKEE O=C(C=CNc1ccc(Cl)cc1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 2040742099 UDFZBKMPPRVBTD-UHFFFAOYSA-N 432.734 7.034 30 10 IKEE CC(C)(C)OC(=O)NC1CC2(C1)CC(C#N)(N(C(=O)OC(C)(C)C)C1CCCCCC1)C2 2056505063 ZKGSMPWGMFMBTK-UHFFFAOYSA-N 447.620 5.676 30 10 IKEE C=C(C)CC[C@@H](NC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071359797 WRMRBEOBSHFDNZ-NAKRPHOHSA-N 431.576 5.822 30 10 IKEE CCc1ccc([C@H](n2nc(C(F)F)c(C#N)c2I)C(C)(C)C)cc1 2079137445 ANQHUKMJVCOJQS-HNNXBMFYSA-N 443.279 5.495 30 10 IKEE Cc1ccc([C@H](n2nc(C3(C)CC3)c(C#N)c2I)C2(C)CC2)cc1F 2079142112 VGAWAJMWYIFGPD-KRWDZBQOSA-N 449.311 5.248 30 10 IKEE Fc1cc(C(F)(F)F)ccc1Cn1nc(C2CC2)c(C(F)(F)F)c1Br 2079818433 PNTYQEPIDHAPJD-UHFFFAOYSA-N 431.149 5.748 30 10 IKEE CCCCCC#CC[C@@H](O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2083415521 OMTRNXJXINNRBW-XMMPIXPASA-N 442.644 5.271 30 10 IKEE C#Cc1ccc(CNc2c(Br)cc(Br)cc2Br)cc1 2101661467 GLFLOQDCUNBGRJ-UHFFFAOYSA-N 443.964 5.568 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCCC[C@@H]1C(F)(F)F 2144653816 IQTFWWDOTULYOB-MAUKXSAKSA-N 447.295 6.205 30 10 IKEE Cc1ccc(CN(C)[C@@H]2CC(C)(C)[C@H]2OCc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2156384145 XBFCFDWFKPBXIP-RPBOFIJWSA-N 449.444 5.110 30 10 IKEE CC1(C)OB(c2ccc(CNc3cc(Br)c(Cl)cc3F)cc2)OC1(C)C 2168956931 ONZMWLCCLDMINX-UHFFFAOYSA-N 440.549 5.153 30 10 IKEE C[C@H]1Cc2ccccc2[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2185486662 RBLICZYRCMUIMY-NYHFZMIOSA-N 427.342 5.802 30 10 IKEE C=CCCCCCCC[C@H](N)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2227286156 WSONHLYKAMTHOR-SFHVURJKSA-N 425.411 6.713 30 10 IKEE CCCCCCCC[C@@H](N)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237410645 YBYHJXCYYYTCBE-WOJBJXKFSA-N 441.454 5.963 30 10 IKEE C=CCCCCC[C@@H](NC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237415609 ZPIOJWAAOLGKHA-WOJBJXKFSA-N 439.438 5.609 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCCC)c2ccc(Br)cc2CC)C1 2237538131 XPZZFMSBNKQMIL-IBGZPJMESA-N 437.422 5.666 30 10 IKEE CCCCCCCCC[C@](C)(CN)N(Cc1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 2263636886 KUPQURXFAVZNKS-HHHXNRCGSA-N 445.692 5.966 30 10 IKEE C=CC[C@]1(COc2cc(Br)c(Cl)cc2N)CCCN1C(=O)OC(C)(C)C 2272085282 MEOZSXKMWFGEKW-LJQANCHMSA-N 445.785 5.409 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CCC[C@H](C1)[C@H]2Nc1ccc(C#N)c(Br)c1 2285853843 LCQDQXKVPACNRH-IZODXCKJSA-N 434.378 5.205 30 10 IKEE O[C@@H](CC(F)(F)C(F)(F)F)c1c(F)cc(Br)c(F)c1Br 2288332095 LUFOKXKEEICKDN-YFKPBYRVSA-N 433.943 5.111 30 10 IKEE COc1ccc(C(=O)C#Cc2cccc(Br)c2)c(NC(=O)OC(C)(C)C)c1 2296231515 DZDYTFRSDMPBEN-UHFFFAOYSA-N 430.298 5.039 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)CCC(C)(C)NC(=O)OC(C)(C)C 2296309808 AYKJRWZKIHTYQT-LJQANCHMSA-N 437.422 5.252 30 10 IKEE O=C1C(=Cc2ccc(N3CCCC3)o2)SC(=NC2CCCCC2)N1C1CCCCC1 2313559946 CKWUEBOPSPRAHB-UHFFFAOYSA-N 427.614 5.818 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2)SC(=NN=CC=Cc2ccccc2)N1Cc1ccco1 2314841403 ZGPZFRDXCGXEPQ-UHFFFAOYSA-N 447.947 6.105 30 10 IKEE CCCN[C@@H](C#CC1CCC1)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2315779644 RUIIULRKZFJXOF-RPLLCQBOSA-N 440.628 5.002 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)C2(NC(=O)OC(C)(C)C)CCCC2)c1 2318914088 HEWGAMDINKPHJN-IBGZPJMESA-N 445.560 5.166 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@@H](C#N)[C@@]1(C)CCCCN1C(=O)OC(C)(C)C 2318947600 WGFZBTOPMJPPMX-YADARESESA-N 447.551 5.639 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CC2)cc1 2320873896 LTCFBHXMLYJEHO-UHFFFAOYSA-N 440.616 6.781 30 10 IKEE CCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1N=Cc1ccc(C(C)C)cc1 2320958782 YIYRQXQBDDWTGM-UHFFFAOYSA-N 435.597 5.194 30 10 IKEE Cc1ccccc1COc1ccc(C=Nn2c(C)nnc2SCCc2ccccc2)cc1 2321157793 IZKMCRBGDIGKOE-UHFFFAOYSA-N 442.588 5.691 30 10 IKEE Cc1c(OCc2ccccc2Cl)ccc2c1OC(=Cc1ccc(Cl)cc1Cl)C2=O 2321762136 CUXMYXWPVRVLNP-UHFFFAOYSA-N 445.729 7.150 30 10 IKEE COc1cccc(C=Nn2c(S)nnc2C2CCCC2)c1OCc1cccc(Cl)c1 2321928018 LAEMKNGLDYMASB-UHFFFAOYSA-N 442.972 5.348 30 10 IKEE CCCCC[C@@H](CC)N1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(C(C)C)cc1)C3=O 2322075868 SGMNIVIBUALSBX-HSZRJFAPSA-N 447.619 7.245 30 10 IKEE COc1cccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN([C@@H]2CCCC[C@H]2C)C4)c1OC 2322146241 WXRZMQRLZNJCRH-OXQOHEQNSA-N 449.547 5.359 30 10 IKEE Cc1ccc(C)c(CN2COc3cc(C)c4c(c3C2)OC(=Cc2cccc(F)c2)C4=O)c1 2322170952 YPMVKHZSBMVQNS-UHFFFAOYSA-N 429.491 5.719 30 10 IKEE CCc1ccc(C=C2Oc3c(cc4c(c3C)OCN(CCc3ccccc3)C4)C2=O)cc1 2322286908 HSJNEVSMXJTJBB-UHFFFAOYSA-N 425.528 5.568 30 10 IKEE CCCCN1COc2c(cc3c(c2C)OC(=Cc2ccc(-c4ccccc4)cc2)C3=O)C1 2322341258 OBIVUJSHPGPEHA-UHFFFAOYSA-N 425.528 6.230 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2ccccc2C)cc1 2322359608 RLCGYUGQGGRBOS-UHFFFAOYSA-N 433.935 6.124 30 10 IKEE Cc1cc(C)cc(OCCN2COc3c(cc4c(c3C)OC(=Cc3cccs3)C4=O)C2)c1 2322416376 ZPVBZHGSYDPXDL-UHFFFAOYSA-N 447.556 5.520 30 10 IKEE COc1ccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3cccc(C)c3)C4)C2=O)cc1 2322430162 HNXKLWDIKMZYCH-UHFFFAOYSA-N 427.500 5.280 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OC(=O)c4ccccc4)cc(C)c3C2=O)cc1 2322667115 VYNYASULHDYYSE-UHFFFAOYSA-N 427.500 5.677 30 10 IKEE CCc1ccccc1NC(=O)COc1ccccc1C=CC(=O)c1c(C)c(C)cc(C)c1C 2322836641 DDPWFRNDNDCLHV-UHFFFAOYSA-N 441.571 6.396 30 10 IKEE COc1cc(C=NNc2ccc(C)c(Cl)c2)ccc1OCc1c(Cl)cccc1Cl 2322969440 NHPSYIAQPDPNMT-UHFFFAOYSA-N 449.765 6.989 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCc3c(Cl)cccc3Cl)c2)cc1OC 2323060103 KTHJNMCNUKHABK-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OC(=O)COc4ccc(C)cc4)cc(C)c3C2=O)cc1 2323201664 YOPJFZLTZZFJKJ-UHFFFAOYSA-N 444.483 5.303 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1OCc1ccc([N+](=O)[O-])cc1 2323260028 NEVSAGWWBLHWFX-UHFFFAOYSA-N 447.487 5.704 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4ccc(Cl)cc4[N+](=O)[O-])ccc3C2=O)cc1 2323281190 NBDZQYVKKSGSJH-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OCc1c(Cl)cccc1Cl 2323743676 PYGQERZUWLZGSM-UHFFFAOYSA-N 449.280 6.755 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 2323780820 XPYUCIKSNOYUSG-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE Cc1c(OC(=O)c2ccc(OC(C)C)cc2)ccc2c1OC(=Cc1ccccc1F)C2=O 2323813643 MHSYXURZWQPMAP-UHFFFAOYSA-N 432.447 5.757 30 10 IKEE CCCNC(=O)COc1c(Cl)cc(C=CC(=O)c2cc(C)ccc2C)cc1OCC 2323953068 SUVVGIQGXOBYTB-UHFFFAOYSA-N 429.944 5.157 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Cl)c1OCc1ccccc1C 2323959143 CHDYJDSFBHLMGR-UHFFFAOYSA-N 434.963 7.139 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3Cl)c([N+](=O)[O-])c2)cc1F 2324115819 HPKJPQQAMRZWEP-UHFFFAOYSA-N 441.842 5.871 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1C)OC(=Cc1ccccc1)C2=O 2324345775 VYKFNAPVPDVVMK-IBGZPJMESA-N 441.527 5.888 30 10 IKEE COc1ccccc1C=C1Oc2cc(O[C@H](C)C(=O)Nc3ccc(C)cc3)ccc2C1=O 2324372239 KOUDEMGJZYQRST-QGZVFWFLSA-N 429.472 5.026 30 10 IKEE Cc1cc(OCCOc2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1ccc(Cl)cc1)O2 2324670248 GLINDBPYIJLMQQ-UHFFFAOYSA-N 441.310 6.376 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc(OCC(=O)Nc3c(C)cccc3C)c2C)C1=O 2325494769 WXUSFFRJMUTTQY-UHFFFAOYSA-N 443.499 5.254 30 10 IKEE O=C(CCOc1ccccc1)Oc1cccc(C=CC(=O)c2ccc3c(c2)CCCC3)c1 2325702066 MAYLOMWGMOJUJL-UHFFFAOYSA-N 426.512 5.836 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc3c(c2C)OC(=CC=Cc2ccccc2)C3=O)c1 2325721969 REMFMNAVTXIOQF-UHFFFAOYSA-N 439.511 5.802 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O)Nc1ccccc1 2325739898 GVPHOXMCLFCLDO-UHFFFAOYSA-N 447.490 5.987 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1OC(=O)c1ccc(F)cc1 2325745859 SKEADQIKCLIBPS-UHFFFAOYSA-N 432.491 6.247 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OC(=O)c1ccc2c(c1)OCO2 2325764434 WMMVQGLMCBHROO-UHFFFAOYSA-N 444.483 5.464 30 10 IKEE C=C(C)CSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccc[nH]1 2325810213 FJRXUBQLERMWKA-UHFFFAOYSA-N 444.004 5.438 30 10 IKEE CCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1N=Cc1sccc1C 2325819281 KRBRXZBFLUQAFF-UHFFFAOYSA-N 444.626 5.527 30 10 IKEE CCCOc1ccccc1C=Nn1c(COc2cc(C)c(Cl)c(C)c2)nnc1SC 2326094456 ITOAUALQNMZHKW-UHFFFAOYSA-N 444.988 5.520 30 10 IKEE CCCCCCCOc1cccnc1NC(=O)C=Cc1ccc(OCc2ccccc2)cc1 2326574810 NRHMERQDKRKDPB-UHFFFAOYSA-N 444.575 6.662 30 10 IKEE CCCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1cccc(OC)c1O 2326618702 WAVPVZCDZVAXBT-UHFFFAOYSA-N 446.576 5.315 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(OCC)cc2)n1N=Cc1ccccc1Cl 2326660840 UOYNURVWRJQXOC-UHFFFAOYSA-N 442.972 5.460 30 10 IKEE CCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1cc(Cl)ccc1O 2326932807 KVEXINOBHSGERC-UHFFFAOYSA-N 445.032 5.780 30 10 IKEE OCCCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccccc1Cl 2327785454 NKAKWJLAHMVRLN-UHFFFAOYSA-N 436.968 5.032 30 10 IKEE CCCCC1CCC(c2nnc(SCC(=O)N(CC)CC)n2N=Cc2ccco2)CC1 2328106660 PDPRNEINXBPBHS-UHFFFAOYSA-N 445.633 5.178 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3F)n2N=Cc2cccn2C)cc1C 2328947831 AALMMYCFPRLXIL-UHFFFAOYSA-N 447.583 5.332 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2Cl)n1N=Cc1ccccc1O 2330110317 KEQNTTUXPGJWSS-KRWDZBQOSA-N 448.979 5.963 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2cccs2)n1N=Cc1cccc([N+](=O)[O-])c1 2330330572 KFKYPOXRZNOTSD-UHFFFAOYSA-N 449.561 5.322 30 10 IKEE Cn1cc(C=Nn2c(Cc3cccs3)nnc2SCc2ccccc2)c2ccccc21 2330390636 NXUOSTKWQXXSTG-UHFFFAOYSA-N 443.601 5.597 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3cccs3)n2N=Cc2ccc(C(C)C)cc2)c1 2330583459 AKUJVRIQXWCYPC-UHFFFAOYSA-N 446.645 6.921 30 10 IKEE C(=Nn1c(SCc2cccc3ccccc23)nnc1-c1cccs1)c1ccccc1 2330596376 UTKCYMDRHRYLHV-UHFFFAOYSA-N 426.570 6.334 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)COc3ccc(C)cc3C)c(OC)c2)c1 2330800102 QRUITYOPDQPSOW-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1 2330804488 MEVAJGFRGMXTHN-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE C[C@@H](C(=O)Oc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1)c1ccccc1 2330884195 DUUPPQQGGZOTBV-QGZVFWFLSA-N 435.317 6.054 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccccc3Cl)cc2Cl)cc1 2330913320 JUDSKIBZIXTXMP-UHFFFAOYSA-N 441.310 6.507 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)cc2)cc1Br 2330970222 LMCLRUSHBPSPJF-UHFFFAOYSA-N 445.353 6.230 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(C3CCCC3)n2N=Cc2ccccc2F)cc1 2331051332 YYVMISYKGQHBTQ-UHFFFAOYSA-N 425.489 5.158 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(C3CCCC3)n2N=Cc2cccc(C)c2)o1 2331065713 RVNVYCDDTJLUNS-UHFFFAOYSA-N 438.553 5.188 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)CC(C)(C)C 2331105224 SZPMIKDFYSJACG-UHFFFAOYSA-N 428.475 5.940 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)Cc1cccs1 2331136519 RPWFETIIJPJYML-UHFFFAOYSA-N 447.339 6.108 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CC3CCCCC3)c(OCC)c2)cc1 2331206774 JBGZGWMEWOQRRF-UHFFFAOYSA-N 436.548 6.256 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 2331236957 MXVLERVXUGJSLA-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)c1ccc(C)cc1 2331318166 CANKPHVEBPDIIE-UHFFFAOYSA-N 430.500 5.744 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccccc1OC(C)C 2331323587 IAXKWXPTIUFVHK-UHFFFAOYSA-N 426.561 5.722 30 10 IKEE Cc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCCO4)cc2Cl)c1 2331398847 RFCKTKJMZFAWNS-UHFFFAOYSA-N 434.875 5.535 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC(=O)c1ccccn1 2331413850 QPDNWJFCPOHHHS-UHFFFAOYSA-N 445.515 5.512 30 10 IKEE Cc1ccc(CSc2nnc(CC(C)C)n2N=Cc2ccc(Cl)c(Cl)c2)cc1 2331425074 SITXFEBHQUPDCM-UHFFFAOYSA-N 433.408 6.266 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3ccc(C=CC(=O)c4cccc5ccccc45)cc3)c(C)c2c1 2331470144 MHQYAMBRQVQQTG-UHFFFAOYSA-N 445.518 7.053 30 10 IKEE CCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OC 2331503107 STCYRIVGZQXWOT-UHFFFAOYSA-N 431.326 5.793 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)cc3)cc2)cc1C(C)C 2331571457 LVLAAUWQXRNYTD-UHFFFAOYSA-N 442.555 6.480 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)c1ccccc1C 2331630252 KTBSYFKFSPBFCC-UHFFFAOYSA-N 444.527 6.134 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(Cl)cc2)cc1 2331741280 CMLNVEFUKQBXSI-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339604605 RPOBPOOISWYZNH-XIQMRYHBSA-N 446.397 5.044 30 10 IKEE Cc1nc(Oc2ccc(Br)c(NC(=O)OC(C)(C)C)c2)c(Cl)cc1C#N 2344225851 UQVNIZRNVQMJHJ-UHFFFAOYSA-N 438.709 5.817 30 10 IKEE N#Cc1nc(-c2ccc(Br)cc2)c(-c2ccc(Br)cc2)nc1C#N 826725 LSKHCUUIHXQQLK-UHFFFAOYSA-N 440.098 5.079 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc3c(c2)N(CCCC)C(=O)[C@H](C)O3)c1 12236808 TWTCTMDWFNQZSB-SFHVURJKSA-N 435.568 5.691 30 10 IKEE C=CCNC(=O)c1cccc2c1N[C@H](c1ccc3c(c1)c1ccccc1n3CC)[C@H]1CC=C[C@H]21 13642701 VIKGYRWXPGDTTC-IKSSWHGMSA-N 447.582 6.557 30 10 IKEE Cc1ccccc1/N=C1\S[C@@H](CC(=O)c2ccc(Cl)cc2)C(=O)N1c1ccccc1C 15055238 WVQPIUUPPLHDAO-NHKLCZRASA-N 448.975 6.366 30 10 IKEE O=C1O[C@@H]2CCCC[C@@H]2C(Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)=C1[N+](=O)[O-] 20530235 WMSMOSSVCBARER-ZWKOTPCHSA-N 447.516 5.493 30 10 IKEE CC(C)Oc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(F)cc2)cc1 21251839 XFVUJLVVXCVFKG-WTYVLRPYSA-N 442.534 6.592 30 10 IKEE CCOc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccc(F)cc1)C2 21257099 GZJUYJHSTCCDPE-MYUZEXMDSA-N 428.507 6.204 30 10 IKEE COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 33367719 ONAMQZRPEUGFAU-PKAZHMFMSA-N 448.474 6.198 30 10 IKEE C=CCOc1cccc2c1cc(C(=O)N[C@@H](C)CC)n2Cc1ccc(C(F)(F)F)cc1 35912882 HXNWCHLLHIUWOA-INIZCTEOSA-N 430.470 5.802 30 10 IKEE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\Oc3ccc(C)cc3C2=O)cc1 39842446 XNUARAJNTHVMJF-XYGWBWBKSA-N 438.552 6.576 30 10 IKEE C=CCN1C(=O)c2[nH]nc(-c3cc(C)cc(C)c3O)c2[C@@H]1c1cccc(OCCCCC)c1 39912133 NWBLDDPPJNLYLM-VWLOTQADSA-N 445.563 5.699 30 10 IKEE CCN(CC)C(=O)CSc1nc2ccc(/N=C/c3cc(Cl)ccc3O)cc2s1 59517736 CNCBWPZLXREZMQ-SSDVNMTOSA-N 433.986 5.366 30 10 IKEE C=CCn1c(SCC(=O)N[C@H]2CCCc3ccccc32)nnc1-c1cccc(Cl)c1 59794866 WDRYLHNQSUIKRU-FQEVSTJZSA-N 438.984 5.070 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OC(=O)c4ccccc4)cc(C)c3C2=O)cc1 62851175 VYNYASULHDYYSE-JLPGSUDCSA-N 427.500 5.677 30 10 IKEE C=C(C)COc1ccccc1NCC(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1 66062915 ZROVCHFFEHGTKN-UHFFFAOYSA-N 443.547 5.263 30 10 IKEE C=C(C)COc1cccc(NC(=O)CNc2ccc(OCCOc3ccccc3)cc2)c1 66227896 IKGMDOGUHXAVIR-UHFFFAOYSA-N 432.520 5.150 30 10 IKEE CCCCCCCCC(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc(CC)cc2)cc1 98021391 QCVFHRMQHKDPKF-AREMUKBSSA-N 438.637 6.717 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)CNc1ccc(OC)c(Cl)c1 100074432 VGVFHMXVGBTVQO-UHFFFAOYSA-N 439.084 7.358 30 10 IKEE CCCCCCCOc1c(CNCc2cc(OC)c(OC)cc2Cl)cccc1OC 100153574 ITQNLYOJGCNNEB-UHFFFAOYSA-N 435.992 6.005 30 10 IKEE CCCCCCCCCCc1ccc2c(=O)c(O)c(-c3cc(O)c(O)cc3O)oc2c1 100302245 XQXWTGHRZDILHY-UHFFFAOYSA-N 426.509 5.966 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)S/C1=N/c1nc(-c2ccccc2)cs1 101130292 GUCSEAKTEOFRKS-JEPJVFCJSA-N 449.557 5.221 30 10 IKEE Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)O/C(=C/c2ccccc2Cl)C3=O)cc1 102722561 IQGMRFWZLVWOJG-CIAFOILYSA-N 426.877 5.032 30 10 IKEE Cc1ccc(CN2c3ccccc3C(=O)/C(=C/Nc3cccc(C)c3C)S2(=O)=O)cc1 103165171 PORDWXRXQKUSEB-IWIPYMOSSA-N 432.545 5.098 30 10 IKEE CCCCCCCNCc1ccc(-c2ccc(Br)cc2Br)o1 104319172 QDEBZRZSQYXTNF-UHFFFAOYSA-N 429.196 6.532 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccc(F)c(F)c2)c1 169968608 GMDDEGURKROWSW-LJQANCHMSA-N 440.471 5.129 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc(C)c1 169970520 MQZALCUDHDYMBT-SANMLTNESA-N 449.506 5.940 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccc(OC(C)C)c2)c1 169979664 FPRLXPAICMUSPY-RUZDIDTESA-N 441.527 5.874 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@H]1c1cccnc1 170009650 YWNWCOINABFUEY-HSZRJFAPSA-N 432.907 5.145 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(OC)cc2)=C(N(CC)Cc2ccccc2)C1=O 170030511 IBXRISRCFLDDCO-UHFFFAOYSA-N 448.607 5.658 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)c1 170061382 OYTKCKRDHYYZRP-JOCHJYFZSA-N 435.882 5.879 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@@H]2c2ccccc2C)cc1 170088780 WHBVTCMDHJKIHL-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(O)cc2)c1 170132638 GZVNYASBFUWCAU-DEOSSOPVSA-N 443.499 5.210 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2C2CCCC2)c1 170148662 YIIFQZFILZNASZ-DEOSSOPVSA-N 431.576 6.122 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1cccnc1)c1cccc2ccccc12 170191528 YKEFGIOPASLOLC-HSZRJFAPSA-N 442.421 5.296 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccccc2)cc1C 170225309 KPVAQMCECKSITQ-IQGLISFBSA-N 439.511 5.410 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cn(C)c2ccccc12 170269223 ZKXQRTVKOSNSSC-QHCPKHFHSA-N 428.488 5.303 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccc2C)c1 170270746 XVZQZVFTTDFGIA-HSZRJFAPSA-N 431.463 5.316 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccco2)cc1 170290156 LENDTADHXIOEEZ-XMMPIXPASA-N 445.515 5.940 30 10 IKEE Cc1c(C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cnn1-c1ccccn1 170494088 BAVRHVBTAGWPTC-UHFFFAOYSA-N 445.482 5.627 30 10 IKEE O=C(/C=C\c1ccc([N+](=O)[O-])cc1)c1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 207017103 OXTHCMFUXVRIEM-OPCYYNASSA-N 428.400 5.295 30 10 IKEE O=C(O)c1ccc(CN2C(=O)/C(=C\c3cccc(F)c3)SC2=Nc2ccccc2)cc1 252605184 GHFUZGKHWTWFCA-MALGGUPZSA-N 432.476 5.328 30 10 IKEE Cc1ccc(-c2nc3ncccc3o2)cc1N=Cc1cc(Cl)cc(Br)c1O 252623546 OTRJOKXRSCXOLS-UHFFFAOYSA-N 442.700 6.070 30 10 IKEE Cc1ccc2oc(-c3ccccc3N=Cc3cc(Cl)cc(Br)c3O)nc2c1 252632257 VRVUEDJWDHEHTP-UHFFFAOYSA-N 441.712 6.675 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccc(OCC)cc2)nnc1-c1ccc2ccccc2c1 253571736 PIHZTBZVBVBRJP-UHFFFAOYSA-N 444.560 5.414 30 10 IKEE CCCCCCCCCCOc1ccc(C=Nn2cnc3c([nH]c4ccccc43)c2=O)cc1 254816952 NRKBSAIZMBPFRO-UHFFFAOYSA-N 444.579 6.280 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3ccc(OCc4ccccc4)cc3)[C@@H]2c2ccco2)cc1 526491681 NYVITGQZIMVMRW-SANMLTNESA-N 448.478 5.787 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccccc2OC)c1 526607116 RIKJAGSVFRGPOM-DEOSSOPVSA-N 426.472 5.023 30 10 IKEE Oc1ccc2cc(Br)ccc2c1/C=N\n1cnnc1SCc1ccccc1 526801074 YOYSDFUFOCTSPS-KSEXSDGBSA-N 439.338 5.074 30 10 IKEE CCCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccc(C)cc2)cc1OCC 526804064 DVRUVHAIRGVZNS-XYGWBWBKSA-N 438.597 5.511 30 10 IKEE COc1ccc(/C=N\n2cnnc2SCc2ccc(C(C)(C)C)cc2)cc1OC(C)C 526805335 ISTCHLRHGZEJDU-WGARJPEWSA-N 438.597 5.546 30 10 IKEE Clc1cccc(CSc2nncn2/N=C\c2ccccc2OCc2ccccc2)c1 526812245 KSTBPYHELLFCPG-WGARJPEWSA-N 434.952 5.685 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@](C)(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 698437761 LXLIHAMNCRJSRU-NBGIEHNGSA-N 443.588 5.496 30 10 IKEE CC(C)(C)OC(=O)N1CCC([C@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccccc2)CC1 698442233 DXEJLJXLLIDHBP-DEOSSOPVSA-N 429.561 5.357 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H](CNC(=O)OC(C)(C)C)C(C)C)c1 698469314 GYYBZPCIBRQJPS-VQTJNVASSA-N 431.577 5.426 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)C1(C#N)CCC(C(C)(C)C)CC1 698481441 GJUCKGUMIHDQBE-UHFFFAOYSA-N 435.406 6.689 30 10 IKEE COc1ccc(Br)cc1[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698856947 RSOXBINZGBMSCO-GOSISDBHSA-N 437.378 5.982 30 10 IKEE CCSC(=CC(=O)c1cccc(C(=O)C=C(SCC)SCC)n1)SCC 1616046997 RXRFWZQOURKCHM-UHFFFAOYSA-N 427.682 6.142 30 10 IKEE CC(/C=C1\SC(=NN=Cc2ccccc2C)N(Cc2ccco2)C1=O)=C\c1ccccc1 1772757526 PYRWDHQGFOLKPZ-XINMQERNSA-N 441.556 6.041 30 10 IKEE N#Cc1ccccc1NC(=O)c1cc(-c2ccc(F)cc2)n(Cc2cccc(Cl)c2)n1 1859386286 GGLCJPLEEJDENP-UHFFFAOYSA-N 430.870 5.515 30 10 IKEE Cc1ccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)nn2-c2cccc(Cl)c2)cc1C 1859394904 XSTMTEWNBYDYJN-UHFFFAOYSA-N 426.907 5.934 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 1861671135 SSXXQBTUGNCTLV-NQIIRXRSSA-N 425.013 5.259 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2cccc(Cl)c2)cc1 1862391603 DVBUSMCDHFFTHR-QFIPXVFZSA-N 441.955 5.297 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2cccc(C)c2)cc1C 1862400291 ARGLSDFGNVQIDA-VWLOTQADSA-N 441.527 5.133 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccccc2C)cc1C 1862400809 NIZNIQDMFYQAFE-DFBJGRDBSA-N 441.527 5.652 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862413671 ILDGBYBJDJUMQT-IQMFZBJNSA-N 449.453 5.313 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@H]2c2cccc(F)c2)cc1OCCC 1862425829 GYSRQUAMZMIZLW-QFIPXVFZSA-N 441.499 5.002 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(C(C)(C)C)cc1 1862461967 RHXJMPLPOYCYJD-HXUWFJFHSA-N 431.454 5.388 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862480788 PCXGNIYGAHCSSO-JOCHJYFZSA-N 434.492 5.204 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C(C)C)cc1OC 1862483588 FPORSNBBNOBGSD-HSZRJFAPSA-N 437.536 5.169 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862487388 ZLASKTIMBZKYGR-DEOSSOPVSA-N 429.491 5.529 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc(Cl)cc2)cc1 1862515851 GDTHRKAQDYFVKN-QFIPXVFZSA-N 441.955 5.753 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(Br)c2)=C(O)C(=O)N1C1CCCC1 1862523961 UFASYSVJLWUOIE-HXUWFJFHSA-N 440.337 5.278 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2ccc3c(c2)CCCN3C)cc1 1862539004 SVEIOVVBWDQAQU-BXKMTCNYSA-N 432.564 5.008 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2ccccc2C)cc1 1862589785 TZPSXKVGGGQARJ-BVZFJXPGSA-N 441.527 5.603 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCOC(C)C)c1 1862614029 WEOYNBHGTGESIS-QHCPKHFHSA-N 435.564 5.296 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCC(C)C)c1 1862614369 AEIXUMBYWDDPCU-QHCPKHFHSA-N 435.564 5.617 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(F)cc2)cc1 1862614737 DHZDWBJXIASLIV-QFIPXVFZSA-N 449.547 5.963 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCc3cnc[nH]3)[C@H]2c2ccc(Cl)cc2)cc1 1862661549 RMMRJTJWTIWRDX-QFIPXVFZSA-N 449.938 5.008 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2F)c1 1862672500 CIVDIRFEMUBUMR-QHCPKHFHSA-N 433.454 5.360 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(OCc2ccccc2)cc1 1862685137 OZKIZMYUUSWVCN-XMMPIXPASA-N 445.490 5.391 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccc(C)cc2)c1 1862699929 ZNEHPHVOVGRFLG-XMMPIXPASA-N 431.532 5.472 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(N(C)C)cc2)c1 1862701751 MLAWMKCNFICFFT-XMMPIXPASA-N 448.563 5.062 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(C(C)C)cc2)c1 1862701857 OWFXTGYVPGVRQJ-QHCPKHFHSA-N 447.556 5.659 30 10 IKEE N#Cc1ccccc1NC1=C(c2ccc(Cl)cc2)C(=O)N(c2ccc3ccccc3c2)C1=O 1862793770 ZVOOFIYCOAFXGZ-UHFFFAOYSA-N 449.897 5.761 30 10 IKEE N#Cc1cccc(NC2=C(c3cccs3)C(=O)N(c3ccccc3C(F)(F)F)C2=O)c1 1863114715 BWCGMUDMMLOZGE-UHFFFAOYSA-N 439.418 5.035 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Nc3ccccc3)cc2)=C(c2ccc(OCC)cc2)C1=O 1863209213 JZGISWJYFPQEQX-UHFFFAOYSA-N 439.515 5.207 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(OCC)cc2)C(=O)N([C@@H](C)CC)C1=O 1863569596 BDECTCOGZGEEMY-FQEVSTJZSA-N 428.617 5.694 30 10 IKEE CCCCCCCCNC1=C(c2ccc(OCC)cc2)C(=O)N([C@H](C)c2ccccc2)C1=O 1863570491 ISFBPQGAJOPWAK-OAQYLSRUSA-N 448.607 5.877 30 10 IKEE CCCCCCCOc1cccc2c1C(=O)N(C[C@H](c1ccccc1)N1CCCC1)C2=O 1865825719 STPWFDUAHYITCQ-HSZRJFAPSA-N 434.580 5.469 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(C#N)cc1[N+](=O)[O-] 1866032194 FTCRMICGWNCJRI-UHFFFAOYSA-N 429.605 7.666 30 10 IKEE COc1ccc2c(c1)CCN(c1cc(Nc3ccccc3C#N)nc(-c3ccccc3)n1)[C@@H]2C 1868372370 FFDBFYBGCWXHEY-LJQANCHMSA-N 447.542 5.891 30 10 IKEE CC(C)N1CCN(c2cc(Nc3ccc(C#N)cc3)nc(-c3cccnc3)n2)c2ccccc21 1868575911 NRRCPGSCPISISD-UHFFFAOYSA-N 447.546 5.520 30 10 IKEE CC(C)(C)c1cccc(-n2nnc(C#N)c2NC(=O)C(c2ccccc2)c2ccccc2)c1 1870139506 ULILYSDVOYYAME-UHFFFAOYSA-N 435.531 5.207 30 10 IKEE C=CCn1cc(OCc2c(C)cc(C)cc2C)c(=O)cc1CNc1ccc(C(C)C)cc1 1870802916 PWOKPIIBQFMRGS-UHFFFAOYSA-N 430.592 6.274 30 10 IKEE C=CCOc1cn(Cc2ccc(O)cc2)c(CNc2cc(C(C)C)cc(C(C)C)c2)cc1=O 1870814140 YDEHXLZCVPIEBO-UHFFFAOYSA-N 446.591 6.026 30 10 IKEE CCCCCCCCn1cc(OC)c(=O)cc1CNc1ccc(Oc2ccccc2)cc1 1870997006 FLNCLJUKBSFFIP-UHFFFAOYSA-N 434.580 6.622 30 10 IKEE CCCCCCCCn1cc(OCCCC)c(=O)cc1CNc1cccc(N(C)C)c1 1871110916 JZJVUXCWJKTLCZ-UHFFFAOYSA-N 427.633 6.066 30 10 IKEE CCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(C)cc1C 1871253788 ILUJVMSDMJGNCR-UHFFFAOYSA-N 429.564 5.718 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc4c3CN(CCCCc3ccccc3)CO4)C2=O)c1 1871354292 MLOLUSFFRHIJJF-ONUIUJJFSA-N 441.527 5.486 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2OCC)C3=O)c1 1871387368 REMCJSJYKBLHDV-IWIPYMOSSA-N 444.483 5.628 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2)C3=O)cc1 1871389414 UTJCJSDBKMOUTA-JCMHNJIXSA-N 428.440 5.146 30 10 IKEE C[C@@H](Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O)C(=O)Nc1ccccc1Cl 1871405807 PLWWOPOQHSQMST-JCRYTKJOSA-N 437.854 5.501 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1cccs1)C2=O)Nc1cccc(C(F)(F)F)c1 1871418282 MHWCZSBXRUEDFT-ODLFYWEKSA-N 445.418 5.401 30 10 IKEE CCCC[C@@H](Oc1ccc2c(c1)O/C(=C\c1cn(CC)c3ccc(OC)cc13)C2=O)C(=O)O 1871423629 VSYVQUYQCBVCKW-CBOXRNDFSA-N 449.503 5.308 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4Cl)cc(C)c3C2=O)cc1 1871455140 CIACXYYRUDZNPN-UUYOSTAYSA-N 449.890 5.291 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cc(C)ccc1C)[C@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872571161 DQHDPCMVOSVIKA-JPYJTQIMSA-N 446.588 5.063 30 10 IKEE N#C[C@@H](C(=O)Cc1ccc(F)cc1F)c1nc(-c2ccc(Br)cc2)cs1 1872765045 FPJNOAYPHFZRHE-HNNXBMFYSA-N 433.277 5.270 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1OC 1872777158 HMHYBSZHVBEKHP-XSFOEPMVSA-N 443.528 5.588 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)Cc2c[nH]c3ccccc23)n1 1872777338 LICWJKNTXSEHRW-HXUWFJFHSA-N 443.572 6.016 30 10 IKEE COc1cc(OC)c(-c2csc([C@@H](C#N)C(=O)Cc3ccc(C)c(C)c3)n2)cc1Cl 1872783424 ZMNCSRJQRUUPKZ-KRWDZBQOSA-N 440.952 5.517 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)c3cc(Cl)ccc3Cl)n2)cc1C 1872787689 PILXMPYSJNNDPS-MRXNPFEDSA-N 431.344 6.232 30 10 IKEE CCCCCCCCNC1=C(c2c(C)cc(C)cc2C)C(=O)N([C@@H]2CCCC[C@H]2C)C1=O 1873120887 JHIMTXVMILJZKK-NFBKMPQASA-N 438.656 6.221 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C(C)(C)C)cc2)=C(c2ccccc2)C1=O 1873414962 BQKMXPIVMQPYSS-UHFFFAOYSA-N 432.608 6.537 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)n2CCOC 1873615526 UIABTQBNKOEWEN-UHFFFAOYSA-N 435.572 5.175 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1cc(C)ccc1C)n2CCC 1873619946 PGXXWGRAZPIIQJ-UHFFFAOYSA-N 435.616 6.483 30 10 IKEE C=CCn1c(C(=O)Nc2cc(C)ccc2C)cc2c(NCc3ccc(Cl)cc3)ncnc21 1873637786 OPGUKHSVAUVFEW-UHFFFAOYSA-N 445.954 5.752 30 10 IKEE C=CCn1c(C(=O)Nc2cc(Cl)ccc2C)cc2c(N3C[C@H](C)C[C@@H](C)C3)ncnc21 1873665202 FHGKGWVGGZFHBQ-HZPDHXFCSA-N 437.975 5.314 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2OC)n1/N=C/c1cccc(OCC)c1 1874314319 NEKNDJACYKTLMV-PCLIKHOPSA-N 436.581 5.021 30 10 IKEE Cc1ccccc1CSc1nnc(COc2cccc(C)c2C)n1/N=C/c1ccc[nH]1 1874321698 FPBWSHSJCFAREN-VULFUBBASA-N 431.565 5.285 30 10 IKEE Cc1ccccc1/C=N/n1c(Cc2ccc(Cl)cc2)nnc1SCc1ccccc1C 1874336530 IIVWQJDHNKQAKP-JVWAILMASA-N 447.007 6.314 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3C)n2/N=C/c2ccccc2)c1 1874361468 LSEOJMMEUZTQKO-OVVQPSECSA-N 426.589 5.855 30 10 IKEE CCCSc1nnc(-c2ccccc2Cl)n1/N=C/c1c(Cl)cccc1Cl 1874367552 IKKTUSWCWBTMSO-SSDVNMTOSA-N 425.772 6.290 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3F)n2/N=C/c2ccccc2O)cc1 1874373132 JDSMNROYRGCJPK-CVKSISIWSA-N 432.524 5.197 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc4ccccc34)n2/N=C/c2cccnc2)cc1 1874390335 IDVQLEATXAAGSC-RDRPBHBLSA-N 449.583 5.900 30 10 IKEE Oc1cccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccccc2Cl)c1 1874403533 FPVPWMHSKQISBM-WGOQTCKBSA-N 448.979 5.597 30 10 IKEE Clc1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2ccccc2)cc1Cl 1874425210 WKGHEPIJWSTPKV-FSJBWODESA-N 445.400 6.488 30 10 IKEE Oc1ccc(Cl)cc1/C=N/n1c(SCc2cccc(Cl)c2)nnc1C(F)(F)F 1874463061 RFNSBDQFUNXVCQ-LIMNOBDPSA-N 447.269 5.484 30 10 IKEE CCCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccccc1OC 1874479388 YKBOJFQKLGSAQO-ZMOGYAJESA-N 449.407 6.111 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874479521 DWCBWCWOKZKJTE-LPYMAVHISA-N 429.933 5.357 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1/N=C/c1ccc(OCC)c(OCC)c1 1874503438 HMRMBKVEWGLVBF-PCLIKHOPSA-N 438.597 5.511 30 10 IKEE CCOc1cc(/C=N/n2c(SCC)nnc2C2CC2)ccc1OCc1ccccc1C 1874518864 ODAZXFAVNDLLAN-MFKUBSTISA-N 436.581 5.436 30 10 IKEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccc(C(F)(F)F)cc1 1874533667 VTFNEGHINLVJJG-PGGKNCGUSA-N 445.297 6.087 30 10 IKEE O=C(/C=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 1874578703 BZRWXKTXTKCRCO-XYOKQWHBSA-N 428.271 6.377 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)c(C)c1 1874578748 FEFKLNJTGRSNKM-WEVVVXLNSA-N 445.773 7.739 30 10 IKEE O=C(/C=C/c1cc(Br)ccc1OCc1ccccc1)c1ccc2c(c1)OCO2 1874582925 NOXZXJFVVOHPCU-RMKNXTFCSA-N 437.289 5.653 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2cccc(OC)c2OCCCO)cc1 1874584541 TZASCDWURPFWQD-SAPNQHFASA-N 426.553 5.702 30 10 IKEE CCCOC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1cc(C(C)(C)C)ccc1OC 1874584545 UDRDXXWBFMSXGU-JXMROGBWSA-N 444.955 5.874 30 10 IKEE CCCOC(=O)COc1ccc(Br)cc1/C=C/C(=O)c1c(C)cc(C)cc1C 1874589934 KFJDEWCIIMJNMZ-SOFGYWHQSA-N 445.353 5.602 30 10 IKEE CCc1ccccc1NC(=O)COc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC 1874594510 OCJJVIRBAXYJMD-FYWRMAATSA-N 445.515 5.180 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OCC(=O)N(CC)CC 1874603694 AFZYQCBIQIWQAH-RVDMUPIBSA-N 435.564 5.107 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(OC)c1OCCc1ccccc1 1874605430 ZERMCXFGDVNPOL-SAPNQHFASA-N 426.556 6.504 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)c1OCc1ccc(F)cc1 1874617697 PAXKVTJHZBRMFF-XYOKQWHBSA-N 438.926 6.970 30 10 IKEE C=C(C)COc1c(Br)cc(/C=C/C(=O)c2cc(OC)ccc2OC)cc1OC 1874619026 GEEVWAVLQJVDJC-SOFGYWHQSA-N 447.325 5.326 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)ccc1OCc1cccc(F)c1 1874634319 WFHTXWQTBNCPNE-VQHVLOKHSA-N 440.898 6.280 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2F)c([N+](=O)[O-])c1)c1cc(Cl)ccc1Cl 1874637479 BLFSRJLKUCFYEL-WEVVVXLNSA-N 446.261 6.516 30 10 IKEE O=C(/C=C/c1ccc(OCCCO)c(Br)c1)c1cc(Cl)ccc1Cl 1874637794 RRMKFSVTXXVDQP-QHHAFSJGSA-N 430.125 5.413 30 10 IKEE O=C(Cc1ccc(F)cc1F)Oc1cccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1 1874695315 UWVCOAMQKYOVTH-RUDMXATFSA-N 447.264 6.316 30 10 IKEE COc1ccc(CC(=O)Oc2cc(/C=C/C(=O)c3ccccc3Cl)ccc2OC)cc1 1874697278 QWHIITHVCQEDPG-UKTHLTGXSA-N 436.891 5.401 30 10 IKEE CC(C)COc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(F)cc3F)c2)cc1 1874699712 JDQXHRNJASIBIC-AWNIVKPZSA-N 436.454 6.115 30 10 IKEE O=C(CCc1ccccc1)Oc1cccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1 1874702840 MDCWTQJIVNPCGF-UKTHLTGXSA-N 425.311 6.428 30 10 IKEE COc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(Cl)c(Cl)c3)c2)cc1 1874702922 QLCSQBXIWNNFTD-LFYBBSHMSA-N 427.283 6.117 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1OC(=O)[C@@H](C)c1ccccc1 1874712971 ZJIVVKKOZCUEJO-IXDOJHRFSA-N 444.527 5.926 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cccc(OC(=O)Cc2ccc(C)c(C)c2)c1 1874713080 FRZSGHVEUMHKSJ-VAWYXSNFSA-N 428.528 5.973 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Br)c(OC(=O)C3CC3)c(OC)c2)cc1 1875103071 KUXMUYRMVWCFNG-IZZDOVSWSA-N 429.310 5.232 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)cc3)c(OC)c2)cc1 1875108030 UUVFEBNICUKWRG-GHRIWEEISA-N 442.555 6.390 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)COCc1ccccc1 1875134555 YBQCLBQJQAHYBO-JLHYYAGUSA-N 430.500 5.330 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c([N+](=O)[O-])c2)c1 1875139532 MYKVJAKAPFJESB-CSKARUKUSA-N 446.415 5.235 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 1875140114 QHRQYUVIYFYKJG-ZRDIBKRKSA-N 445.471 5.726 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)Cc1ccccc1 1875141301 XTJOHULAAJSGDV-DHZHZOJOSA-N 438.882 5.840 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccccc2-c2ccccc2)cc1 1875143671 LDCAXTGFIOZRMN-OBGWFSINSA-N 448.518 6.786 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2Cl)cc1C 1875150032 UXGGJMIQLPBMOI-XBXARRHUSA-N 434.875 5.801 30 10 IKEE COc1cc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3F)cc2)c(OC)cc1Cl 1875173256 UKOUMKKZLJSUJW-FMIVXFBMSA-N 440.854 5.612 30 10 IKEE N#C[C@@]1([C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C[C@H]2CC[C@H]1O2 1875689762 LMGPPJOLCFWZEI-MUUFRUSVSA-N 441.527 5.339 30 10 IKEE CCCCCCCN(C)C(=O)c1cc(I)ccc1Br 1887039273 YWHKTPYPNXKTET-UHFFFAOYSA-N 438.147 5.096 30 10 IKEE O=C(Nc1cc(C(F)(F)F)ccc1F)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 1890703117 JTJXANCZPIHQOW-UHFFFAOYSA-N 443.318 6.908 30 10 IKEE CCCCCCCCCCCC[C@@H](N)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 1915237572 ILFVEGNVXOCXMO-AREMUKBSSA-N 446.720 7.842 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)C1CC2(CCCN2C(=O)OC(C)(C)C)C1 1922059923 LKEOFMABVGXFBR-VVCJCJSVSA-N 428.617 5.307 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@@]1(C#N)CC(C)(C)[C@@H]1OCc1ccccc1 1950396205 FADBUKFXXSQHCN-SQJMNOBHSA-N 440.971 6.359 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1cc(Br)c(Br)o1 1959993040 JCIHJCXVCZIJQA-INIZCTEOSA-N 429.152 5.228 30 10 IKEE C#CCCC[C@@H](NCCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997454920 INGBHKDGVQYGNK-ZEQKJWHPSA-N 428.617 5.002 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@]1(CCC)CCCCN1C(=O)OC(C)(C)C 2007550998 OFEIEESKNDDWGO-ZEQKJWHPSA-N 430.633 5.697 30 10 IKEE C=CCCCC[C@@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2009485666 XSDWDLFDNAQRCC-BVAGGSTKSA-N 429.649 5.270 30 10 IKEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)CC1 2020304103 WJNVVDVBGYFNSQ-NRFANRHFSA-N 443.535 5.095 30 10 IKEE CN(C[C@@](C#N)(N(C(=O)OC(C)(C)C)c1cccc(F)c1)C(C)(C)C)C(=O)OC(C)(C)C 2032013508 NUFAHFHPXKNRTI-XMMPIXPASA-N 449.567 5.743 30 10 IKEE CC[C@@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)(F)F)c(C#N)c1Br 2079969665 HDTRULBWVSOZPL-NSHDSACASA-N 444.148 5.693 30 10 IKEE CC(C)c1nn2c(Cl)c(C#N)cnc2c1-c1ccc(C(F)(F)F)cc1Br 2081196104 CLIYINLCFUCABV-UHFFFAOYSA-N 443.654 5.826 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cccc(Br)c1Cl 2081382500 MAVGDZWCYQKKRO-RDJZCZTQSA-N 429.786 5.060 30 10 IKEE C=CCC1([C@H](Cc2cccc(C)c2Br)NCC)CN(C(=O)OC(C)(C)C)C1 2144190671 SZXDREMGEFUFTF-SFHVURJKSA-N 437.422 5.091 30 10 IKEE CO[C@H]1CC(C)(C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2162039044 OAGCLKMNHFYVRM-LAUBAEHRSA-N 437.378 5.678 30 10 IKEE CC[C@@H]1CN(c2cc(Br)c(C#N)cc2F)[C@H](CC)CN1C(=O)OC(C)(C)C 2174808664 QOPAFHDEFZZBII-HUUCEWRRSA-N 440.357 5.074 30 10 IKEE C=CCCCCCCC[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2227281160 FHCZULYVFCPFJX-MUUNZHRXSA-N 444.615 7.795 30 10 IKEE C=CCC[C@H](C)[C@H](NC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229139388 ZIAOYJXVLJDOAK-IPELMVKDSA-N 425.411 5.075 30 10 IKEE CC(C)(C)OC(=O)N[C@](C)(C1CCCCC1)[C@@H](O)C#Cc1ccccc1Br 2235722441 ADBUJVATKLABCH-SIKLNZKXSA-N 436.390 5.025 30 10 IKEE CCCCCCC[C@H](NC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237409343 GNNNXOFPOKAPBD-VQTJNVASSA-N 441.454 5.833 30 10 IKEE C=CCC[C@@H](C)[C@H](NCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237413872 NIRZCQBEHCPKPG-UXPWSPDFSA-N 439.438 5.465 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 2249580168 SXAJTJPJLBAZOH-RSQQPWMTSA-N 447.963 5.231 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](O)c1sc(Br)c(C)c1C 2265921401 OCHDXKOQPZRYME-RBUKOAKNSA-N 438.431 5.302 30 10 IKEE O=C(C#Cc1cccc(Br)c1)c1c(Br)cccc1Br 2278736461 ALCQLZFXYDHSHW-UHFFFAOYSA-N 442.932 5.209 30 10 IKEE C=C(C)CCCC[C@H](NCCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2287384071 QCQLIQLVOVKQNG-IBGZPJMESA-N 439.438 6.973 30 10 IKEE CCCN1C(=O)C(=Cc2ccc(-c3ccc(C(=O)O)cc3)o2)SC1=Nc1ccccc1 2293740282 CZQLAKQHNHBYLF-UHFFFAOYSA-N 432.501 5.659 30 10 IKEE Cc1ccc(N=C2SC(=C3Sc4ccccc4N3C)C(=O)N2C2CCCCC2)cc1 2295172636 ONKPPTZEDGZSFY-UHFFFAOYSA-N 435.618 6.302 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)c1cc(CNC(=O)OC(C)(C)C)cs1 2296266988 NXYDRTRWOMFJFO-GOSISDBHSA-N 449.414 5.238 30 10 IKEE CN[C@H](C#Cc1cccc(Br)c1)c1cc(NC(=O)OC(C)(C)C)ccc1C 2296280265 YKFSBUNNRBQYPN-HXUWFJFHSA-N 429.358 5.417 30 10 IKEE O=C1C(=O)N(Cc2ccccc2)[C@@H](c2ccc(Br)cc2)C1=C(O)c1ccccc1 2297057122 MTYHCNYORSVLJB-NRFANRHFSA-N 448.316 5.071 30 10 IKEE O=C1NC(=Nc2ccccc2Cl)SC1=Cc1cc(Cl)cc(Br)c1O 2297200097 ANCLOAMUTAUGAT-UHFFFAOYSA-N 444.137 5.353 30 10 IKEE COC(=O)C1=C(Nc2ccc(Cl)c(Cl)c2)SC(=Cc2c[nH]c3ccccc23)C1=O 2297508164 ZITXVNOSCMJZKG-UHFFFAOYSA-N 445.327 5.628 30 10 IKEE C=C(CC=C(C)CCC=C(C)C)C(=O)C[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C 2297596403 XHSRFCRGSWRBSP-NRFANRHFSA-N 425.569 5.551 30 10 IKEE Cc1ccc(N=C2NC(=O)C(=Cc3cccn3-c3ccc(Br)cc3)S2)cc1 2313564828 AQKDKKRILJVPFC-UHFFFAOYSA-N 438.350 5.440 30 10 IKEE O=C1C(=Cc2cccc([N+](=O)[O-])c2)Oc2cc(OCc3ccc(Cl)cc3Cl)ccc21 2314438234 MBSDOJGAIAFNKT-UHFFFAOYSA-N 442.254 6.097 30 10 IKEE O=C1C(=Cc2ccc(Br)o2)SC(=Nc2cccnc2)N1C1CCCCC1 2314540289 NGZXKDMNABAYCA-UHFFFAOYSA-N 432.343 5.374 30 10 IKEE CC(C)Oc1c(Cl)cc(C=Nn2c(S)nnc2COc2ccccc2)cc1Cl 2318415587 RFVIEWZZHLTKKP-UHFFFAOYSA-N 437.352 5.122 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)C1(NC(=O)OC(C)(C)C)CCCCC1 2318691451 RECFHELLUVNPHM-FQEVSTJZSA-N 443.588 5.856 30 10 IKEE COc1ccccc1C=Nn1c(SCc2c(Cl)cccc2Cl)nnc1C1CC1 2320867810 MTTXAGABWKKOTI-UHFFFAOYSA-N 433.364 5.645 30 10 IKEE Cc1cccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2nc3ccccc3[nH]2)C4)c1 2322192802 FDAWWZAMUPRXTQ-UHFFFAOYSA-N 437.499 5.148 30 10 IKEE CCc1ccc(C(=O)C=Cc2c(OCC(=O)Nc3ccccc3C)ccc3ccccc23)cc1 2322353712 UCCXWWUCLUOTNX-UHFFFAOYSA-N 449.550 6.624 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(C)c1 2322648506 GAWOERGKNHTHKM-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OC(=O)c3ccccc3Br)c2C)C1=O 2322714830 WQYYXFHWSKQLDP-UHFFFAOYSA-N 449.300 5.901 30 10 IKEE CCOc1ccc(Br)cc1C=CC(=O)c1cc(OC)c(Cl)cc1OC 2322872255 VFEHVOBQZGMQHH-UHFFFAOYSA-N 425.706 5.415 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OC(=O)CCc3ccc(C)cc3)ccc2C1=O 2323078767 QOIVBTUBQAETDS-UHFFFAOYSA-N 428.484 5.548 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OC(=O)c4ccc(C)c([N+](=O)[O-])c4)ccc3C2=O)cc1 2323328324 XLHCJSVBJWLUIU-UHFFFAOYSA-N 445.427 5.137 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCc3cccc(C)c3)c(OCC)c2)cc1 2323556905 DXVXLQFKPRKZQL-UHFFFAOYSA-N 428.572 7.211 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1cccs1)C2=O)c1cccc(Oc2ccccc2)c1 2323557582 CYOPXKQAOOPKBA-UHFFFAOYSA-N 440.476 6.376 30 10 IKEE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc4c(c2)OCO4)C3=O)cc1 2323813253 QFHWLZWSBRORBN-UHFFFAOYSA-N 444.439 5.038 30 10 IKEE COc1c(Br)cc(C=CC(=O)c2ccc(F)c(C)c2)cc1Br 2323969310 NINKKBJRJFNWHB-UHFFFAOYSA-N 428.095 5.564 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])c1C 2324190775 KDMMVTUENQAXDJ-UHFFFAOYSA-N 448.450 5.264 30 10 IKEE N#C[C@@H](C(=O)C=Cc1ccccc1Cl)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2324331748 TXLGAUPXMTVPJJ-QFIPXVFZSA-N 440.955 7.020 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2324380806 TZRYAMOPAAPCCX-KRWDZBQOSA-N 447.918 5.979 30 10 IKEE C=C(C)COc1c(OCC)cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc1[N+](=O)[O-] 2324518303 PLPHZRHBCGIBBY-UHFFFAOYSA-N 445.899 5.815 30 10 IKEE CCCOC(=O)[C@H](CC)Oc1cc(C)c2c(c1)OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2325092346 AMOHEZXTCJZZRQ-NRFANRHFSA-N 436.548 6.019 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1cccc(OCCC)c1 2325512555 CWDFJSKTXJOWQH-UHFFFAOYSA-N 426.561 5.723 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1c(F)cccc1Cl 2325603794 KPPORCCGUIVSEN-UHFFFAOYSA-N 443.762 6.114 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccc(N(C)C)cc2)C3=O)c1 2325727341 NLGNRYVDNAQALI-UHFFFAOYSA-N 442.515 5.003 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(Br)cc3)c2)cc1C 2325760368 KIINMTSKONBYKK-UHFFFAOYSA-N 449.344 6.110 30 10 IKEE CCOc1ccc(CCc2nnc(SCC)n2N=Cc2ccc(Cl)cc2)cc1OC 2325890709 UJAGRWOVQGCRBG-UHFFFAOYSA-N 444.988 5.118 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1ccccc1 2325909131 VLFRERWNTJBTHH-UHFFFAOYSA-N 433.364 5.714 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1cccc(C(F)(F)F)c1 2326306210 KTBPDVMIYRGYPB-UHFFFAOYSA-N 432.515 6.122 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OC)c(OC)c2)n1N=Cc1ccccc1Cl 2326752331 GICSPEBJBFHNJK-UHFFFAOYSA-N 442.972 5.090 30 10 IKEE COc1ccccc1CCc1nnc(SCCc2ccccc2)n1N=Cc1ccccc1 2328694250 KGRHRXPRSLQJLO-UHFFFAOYSA-N 442.588 5.289 30 10 IKEE CCSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1ccc(N(CC)CC)cc1 2328941453 YSDGHXUKQZPKPZ-UHFFFAOYSA-N 435.641 5.521 30 10 IKEE Cc1ccccc1C=Nn1c(COCc2ccccc2)nnc1SCc1ccc(F)cc1 2329312459 FGHLDRYGLDUEQB-UHFFFAOYSA-N 446.551 5.617 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2cccc(F)c2)n1N=Cc1cccc(F)c1 2329477938 JZFBYFHKZBZVHU-UHFFFAOYSA-N 448.542 5.824 30 10 IKEE CCCSc1nnc(-c2ccccc2Cl)n1N=Cc1c(OC)ccc2ccccc12 2329599728 PCKMFGGGHDOTJC-UHFFFAOYSA-N 436.968 6.145 30 10 IKEE CSc1nnc(Cc2ccccc2F)n1N=Cc1ccc(OCc2ccccc2C)cc1 2329699467 FTEBQKBVFSTMNE-UHFFFAOYSA-N 446.551 5.500 30 10 IKEE COc1cc(C=Nn2c(Cc3ccc(C)cc3)nnc2SCc2ccccc2)ccc1O 2329990173 KOMGGXAGMVIOGP-UHFFFAOYSA-N 444.560 5.066 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2ccccc2)n1N=Cc1ccc(Cl)cc1 2330164824 FLGATXBNPBXKRU-UHFFFAOYSA-N 447.007 6.200 30 10 IKEE Cc1cccc(CSc2nnc(CC3CCCCC3)n2N=Cc2ccc(O)c(O)c2)c1 2330246017 KRGFRGJIAPNXHA-UHFFFAOYSA-N 436.581 5.295 30 10 IKEE COc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC(=O)C(C)(C)C 2330596926 LRAZMKIUIVPNIK-UHFFFAOYSA-N 444.527 6.218 30 10 IKEE O=[N+]([O-])c1ccccc1C=Nn1c(SCc2cccc(F)c2)nnc1-c1ccccc1 2330651685 IOEPZZIGKOFNCN-UHFFFAOYSA-N 433.468 5.167 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2Cl)c(Cl)c1)c1ccc2ccccc2c1 2330659233 MBSCJDCTKLFYAZ-UHFFFAOYSA-N 447.317 7.262 30 10 IKEE COCC(=O)Oc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1Br 2330663912 JKYODNWRHVLYNW-UHFFFAOYSA-N 425.278 5.050 30 10 IKEE C[C@@H](C(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1Cl)c1ccccc1 2330684515 MWLWUBMJYASCBR-LJQANCHMSA-N 444.958 6.824 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3c(F)cccc3Cl)c(Cl)c2)c1 2330781159 RRYNUCOFUBWDPM-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccccc1Cl 2330825622 CGZAKCVZBYTUFW-UHFFFAOYSA-N 443.960 5.603 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)CCC)c(Br)c2)cc1 2330833387 DODUFHZOOWVTSS-UHFFFAOYSA-N 429.354 6.393 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)cc3)c(OC)c2)cc1 2330848159 HHLCXKXCQVJHFN-UHFFFAOYSA-N 446.518 6.221 30 10 IKEE Clc1ccc(C=Nn2c(SCCc3ccccc3)nnc2[C@@H]2CCCO2)cc1Cl 2330968042 PAYRLBGGPFSQFP-IBGZPJMESA-N 447.391 5.653 30 10 IKEE Clc1cccc(CSc2nnc(C3CCCC3)n2N=Cc2c[nH]c3ccccc23)c1 2331092888 ZPSGKVVNSLFUAJ-UHFFFAOYSA-N 435.984 6.245 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H](C)c3ccccc3)c(OCC)c2)cc1 2331208266 FSNKLSOXFSZJOT-HXUWFJFHSA-N 444.527 6.089 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccs3)c(Br)c2)c(C)c1 2331224749 ISZHMJLPXNCVTI-UHFFFAOYSA-N 441.346 6.243 30 10 IKEE Cc1cccc(C=Nn2c(SCC(=O)Nc3ccc(C)cc3C)nnc2-c2ccco2)c1 2331231878 OJJSNFSMBWBMGD-UHFFFAOYSA-N 445.548 5.076 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(F)c3)c(OC)c2)cc1 2331311880 IZRLQAZPFYYRIB-UHFFFAOYSA-N 434.463 5.738 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc([N+](=O)[O-])c1OC(=O)C1CCCC1 2331564950 NCDJNGUQAAYHFI-UHFFFAOYSA-N 445.418 5.263 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C)cc(C)c3OC)cc2Cl)cc1 2331663880 CYABPPRMYFQRNV-UHFFFAOYSA-N 448.946 6.643 30 10 IKEE COc1cc(C=Nn2c(SC)nnc2C(C)C)ccc1OCc1ccc(Cl)cc1 2331667895 LNXQXACVDYYJST-UHFFFAOYSA-N 430.961 5.247 30 10 IKEE CC(C)c1nnc(SCc2ccccc2F)n1N=Cc1ccc(Br)cc1 2331699336 ADNMEAQDCBNUBZ-UHFFFAOYSA-N 433.350 5.478 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3ccccc3Cl)cc2)cc1C 2331704731 ZRYLJERBQDZFNY-UHFFFAOYSA-N 448.946 6.618 30 10 IKEE CCCC(=O)Oc1c(OC)cc(C=CC(=O)c2ccc(OCC)cc2OCC)cc1OC 2331734010 RYLSDLWXACHAEN-UHFFFAOYSA-N 442.508 5.103 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)C3CCC3)c(Br)c2)cc1Cl 2331821106 MKWVPADJRQCXPI-UHFFFAOYSA-N 449.728 5.713 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@@H]3C[C@@H](OCc4ccccc4)C[C@@H]32)c1 2331989911 XJQJELMVLBYJKX-ZIFWVBPMSA-N 448.563 5.714 30 10 IKEE CC#CCN(C[C@@H](NCCC)c1sc(C)c(C)c1Br)C(=O)OC(C)(C)C 2337914726 CSOZDZAMZFHIQO-MRXNPFEDSA-N 443.451 5.429 30 10 IKEE CC#CCN(C[C@@H](NCCC)c1cc(Cl)c(Cl)cc1Cl)C(=O)OC(C)(C)C 2363133043 PHKXTWSHRBLEEC-GOSISDBHSA-N 433.807 5.948 30 10 IKEE C[C@H](N(Cc1ccccc1)Cc1ccc(C#CCCO)c(Br)c1)C(C)(C)C 2377428109 YLYMHWNGIMRFAX-IBGZPJMESA-N 428.414 5.620 30 10 IKEE Cc1ccc(Sc2ccc(/C=C3\CCc4c(C)cc(C)cc4C3=O)cc2[N+](=O)[O-])cc1 15979480 YTNJANKVPNWBIP-XSFVSMFZSA-N 429.541 6.884 30 10 IKEE Cc1ccc(C)c(CSc2nc3n(n2)[C@@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N3)c1 20850429 VNQDISHFWJTWKJ-QHCPKHFHSA-N 444.604 5.845 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2O[C@@H](C)CC)cc1 21220176 CCYOCMCYRGDXNQ-NOXFTYBFSA-N 447.575 5.657 30 10 IKEE CC[C@H](C)Oc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccccc1)C2 21229816 IMAUOVYJEXBFTF-ZIEGJXHLSA-N 438.571 6.843 30 10 IKEE CC(C)[C@H](C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2O)c1)c1ccc(Cl)cc1 31516203 DGQZGRIBSTXBJK-RPWUZVMVSA-N 435.907 6.386 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4cccc(C)c4)c3C)C2=O)c(OC)c1 41355093 FSONOYRRPTVGRI-QRVIBDJDSA-N 430.456 5.156 30 10 IKEE Cc1ccc(-n2nc(C)c(/C=N/Nc3ccc(I)cc3)c2C)c(C)c1 59146774 REHMCYHMSIFAGP-WSDLNYQXSA-N 444.320 5.157 30 10 IKEE Cc1cccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3c(C(=O)Nc4ccccc4C)cnn32)c1 64775594 ZWXQAHWHZDTBJO-DEOSSOPVSA-N 440.547 5.410 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 100153440 STFMKQXKTVBPDD-UHFFFAOYSA-N 434.536 5.811 30 10 IKEE CCCCCCCOc1cccc(NC(=S)NC(=O)c2ccc(Br)o2)c1 100246611 ADMNFOGRAXPUDE-UHFFFAOYSA-N 439.375 5.518 30 10 IKEE O=C(/C=C\c1ccc(O)cc1)C(C(=O)/C=C/c1ccc(O)cc1)=C1SCCCCS1 101461079 VYQAYQUBPWDQHR-MFUUIURDSA-N 438.570 5.434 30 10 IKEE CCCCCCCCCCCCn1c([C@@H](C)Oc2ccc(Cl)cc2)nc2ccccc21 102189055 OPWPYECDOZGONZ-JOCHJYFZSA-N 441.059 8.751 30 10 IKEE O=C1/C(=C/Nc2ccc(Cl)cc2)[C@@H](Nc2ccc(Cl)cc2)Oc2ccc(Cl)cc21 109202815 UWKPRUGQGOONHN-LPRAYXGFSA-N 445.733 6.656 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2cccc(C)c2)cc1 169967624 QWNSWLONTKYDDY-VWLOTQADSA-N 425.528 6.210 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2cccnc2)cc1 170003004 YJCRWKANNAAUEM-VWLOTQADSA-N 426.516 5.307 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccc(F)cc2)cc1C 170062462 MUDGOVWUQKCLFV-QHCPKHFHSA-N 433.454 5.673 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2cccc(O)c2)cc1C 170080668 JUSOJYKCEADUID-SANMLTNESA-N 449.506 5.945 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccc(C)o2)c1 170099592 JWSQOUAITGUHGQ-JOCHJYFZSA-N 435.451 5.217 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(OC)cc2)c1 170114648 VQGVYILZLLHCHU-HSZRJFAPSA-N 435.520 5.005 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(N(C)C)cc2)cc1 170129974 SKKUSYBIEMEMKY-DEOSSOPVSA-N 448.563 5.062 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(O)cc1)c1ccc(Cl)c(Cl)c1 170134382 KPGJQBYWNGOZSQ-IBGZPJMESA-N 444.270 5.071 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1cccc(C)c1 170139023 HJXRHBYTRFEPFR-JOCHJYFZSA-N 447.556 5.460 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2ccccc2)c1 170141674 YBQXJZDJFQHQOP-NRFANRHFSA-N 448.316 5.540 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccccn2)ccc1Cl 170175362 VOQHCRIFAJUSLH-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2cccnc2)cc1 170184165 OMQPFSIGYJTCKQ-HSZRJFAPSA-N 446.478 5.038 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccncc2)cc1 170199318 FUAKGXKBBGVOPW-HSZRJFAPSA-N 446.478 5.038 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@@H]2c2ccncc2)c1 170201067 SNVJQUVBQYVOMK-XMMPIXPASA-N 442.515 5.216 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@@H]1c1cccc2ccccc12 170220691 UCUZJVXWHRMTAD-QHCPKHFHSA-N 449.934 5.880 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)c(OC)cc3C)[C@@H]2c2ccccc2)c1 170221577 SYRHYORQCVUCMF-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccccc2)cc1 170224437 ZCUBGUHKJIKLKM-SSOJOUAXSA-N 439.511 5.355 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@@H]2c2ccccc2F)cc1 170252643 TUHRPHPXWVHQMT-HSZRJFAPSA-N 439.527 5.773 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccc2C)cc1C 170273221 SFLAQLSZENWREB-VWLOTQADSA-N 441.527 5.793 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@H]1c1ccco1 170294804 IAEDESORCOVNES-JOCHJYFZSA-N 425.525 5.489 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccc(C)o2)c1 170297648 YJTRKWYSVNZBAE-QHCPKHFHSA-N 447.487 5.167 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1c1cccc(F)c1 170313573 JAAMGMOESUANHG-GOSISDBHSA-N 427.884 5.632 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1C1CCCCC1 170317434 KGRFSAPXNSRBKL-NRFANRHFSA-N 439.577 5.755 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1c1cccc(C(F)(F)F)c1 170399166 VDSSNQMBBBTBMP-LJQANCHMSA-N 443.446 5.858 30 10 IKEE CCCC[C@@H]1S/C(=N/N=C/c2cccc3ccccc23)N(Cc2ccc(F)cc2)C1=O 229891563 CDXXXPXFENUARQ-BNEICHJSSA-N 433.552 6.003 30 10 IKEE CCCCCCCCCCCCCC(=NO)c1ccc(OCc2ccccc2)cc1O 254875250 SIUUUJMMOFDKFF-UHFFFAOYSA-N 425.613 7.851 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Br)cs1)NCCC 406315772 OSJYKOGJZIJQAV-SJORKVTESA-N 431.440 5.281 30 10 IKEE CCCc1nnc(SCc2ccccc2)n1/N=C\c1cc(Cl)c(OC)c(OCC)c1 526800874 ZBKNRIZBZLFCIX-OYKKKHCWSA-N 444.988 5.466 30 10 IKEE Cc1ccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccc(Cl)cc2)o1 526807905 FWLYTWOCNYDIHA-MYYYXRDXSA-N 436.968 5.793 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1ccc(OCC(C)C)cc1 526811794 SEKIGVGGZIEXIC-YSMPRRRNSA-N 436.625 6.057 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1c(C)[nH]c2ccccc12 526815314 XVCZHRYXGXFXTL-MYKKPKGFSA-N 444.391 6.112 30 10 IKEE CC1(C)OB(C2=Cc3c4c(n(-c5ccccc5)c3=CC2)=CC=C(c2ccccc2)C4)OC1(C)C 575449155 MOFGCCYGROTTCP-UHFFFAOYSA-N 447.387 5.097 30 10 IKEE N#Cc1cccc(C(=O)N(Cc2ccco2)c2nc3c(C(F)(F)F)cccc3s2)c1 585177179 KWVFYPUGKWFEEV-UHFFFAOYSA-N 427.407 5.627 30 10 IKEE Cc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2cccc3cccnc23)cc1C 586213699 UNEUAOADDMGCCJ-UHFFFAOYSA-N 427.529 5.119 30 10 IKEE COc1cccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 586240512 DGXYVSQQSLEOSL-UHFFFAOYSA-N 447.343 5.269 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1cc(Cl)ccc1F 698454875 JORBPVRMMWJSEE-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE C[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)CCN1C(=O)OC(C)(C)C 698886891 FYXIOFJITGSWCJ-QMHKHESXSA-N 433.524 5.249 30 10 IKEE CC(C)[C@@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 698908129 GYMDTYQJZCSPEP-MSOLQXFVSA-N 437.606 5.174 30 10 IKEE CC(C)(C)OC(=O)NC1CCC(C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)CC1 724082000 TWXUMOSRJMGCFE-UHFFFAOYSA-N 449.979 5.811 30 10 IKEE CCCc1cc[n+](/C(C(=S)Nc2cccc(OC)c2)=C(/O)c2ccc(C#N)cc2)cc1 762440230 UITXNLCPOKTTBG-UHFFFAOYSA-O 430.553 5.130 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3ccccc3Cl)n2)cc1 1084412774 VCJKOBJAUDBIKU-AWEZNQCLSA-N 442.976 5.148 30 10 IKEE O=S(=O)(Nc1cccnc1)c1ccc(N=Cc2c3ccccc3cc3ccccc23)cc1 1084433050 SGAJHBRWDRSGRB-UHFFFAOYSA-N 437.524 5.939 30 10 IKEE C[C@@H]1CCCCN1CCC/N=C(/Nc1cc(C(C)(C)C)ccc1O)NC1CCCCC1 1088685112 KAQTWHBNHPZQDZ-HXUWFJFHSA-N 428.665 5.644 30 10 IKEE C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)OC)[C@@H]1CCc1ccoc1CN1CCCC[C@H]1C 1565535502 KXDYHZVEOJTNPL-JYKWMAQHSA-N 441.656 6.539 30 10 IKEE N#Cc1cc(NC(=O)NC(=O)c2c(F)cccc2F)ccc1-c1ccc(C(F)(F)F)cc1 1616047607 WYFSBJRPFCHYRX-UHFFFAOYSA-N 445.347 5.484 30 10 IKEE O=C1/C(=C/c2cccc(Br)c2)SC(=Nc2ccccn2)N1C1CCCCC1 1772730395 BVJNBRSFMKLOKT-ZUGBYVCQSA-N 442.382 5.781 30 10 IKEE C=CCN(CC=C)c1cc(-c2cc3cnccc3c(NCCc3ccc(O)cc3)n2)ccn1 1857830066 JXONVFXWCSZABH-UHFFFAOYSA-N 437.547 5.230 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccc2O[C@@H](CC)C(=O)OCCC)c1 1858738050 UIINFYPGXKZVPR-FQEVSTJZSA-N 439.556 5.282 30 10 IKEE CC(C)N(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])c(F)c1 1859896728 PYYXBIVAOQDQIM-UHFFFAOYSA-N 438.299 5.827 30 10 IKEE Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccc(NC(=O)c3cccc(C#N)c3)cc2)c(C)c1 1860160099 VNHUQAPZPFWHEZ-IBGZPJMESA-N 427.504 5.142 30 10 IKEE COc1cccc(/C=C/C(=O)Nc2cc(NC(=O)c3cccc(C#N)c3)ccc2Cl)c1 1860461814 SZDNDPPTSUNQGI-DHZHZOJOSA-N 431.879 5.124 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccccc1Cl)c1ccc(F)cc1F 1862416739 KAKGCNUOXANCNQ-LJQANCHMSA-N 445.874 5.458 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccc(Cl)cc1)c1ccccc1Cl 1862432028 ULQNHODZZQRLRJ-FQEVSTJZSA-N 439.298 5.167 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(O)cc1 1862442453 JHOOKQFZZFVCAC-DENIHFKCSA-N 441.955 5.983 30 10 IKEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C)cc2)cc1 1862475236 HJNIRMNTLPPVRF-CLOONOSVSA-N 441.527 5.652 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 1862483059 YWHGYKUXKGBKIX-FQEVSTJZSA-N 448.346 5.305 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(O)cc1 1862490511 XIIRPDUQWURYET-YKSBVNFPSA-N 435.564 5.946 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(N(C)C)cc1 1862493333 NBPAQRIVDMTOBP-XMMPIXPASA-N 434.580 5.528 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(C(C)C)cc1 1862561260 ROOXKUATDUKMIV-ILBGXUMGSA-N 448.607 6.329 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1cccc2ccccc12 1862592516 FEGURFCJXQUMNQ-QYBDOPJKSA-N 449.506 5.885 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(Cl)cc1 1862618802 YTSQMKAUNJKXBS-JOCHJYFZSA-N 439.983 6.262 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2[C@H](C)CC)cc1 1862654611 OFAXBVDZRXQHDQ-MZNJEOGPSA-N 429.516 5.615 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(CC)cc1 1862663211 PBNFGBKYLCHURT-XMMPIXPASA-N 435.564 5.377 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2cccc(F)c2)cc1 1862664034 VPQXNSVSNXGHDX-DEOSSOPVSA-N 435.539 6.250 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccc2ccccc12 1862666648 JAGPRMVJPDGUEP-RUZDIDTESA-N 427.544 6.198 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2c(Cl)cccc2Cl)cc1 1862668466 ZHPBBIUKHKRAGD-FQEVSTJZSA-N 448.346 5.078 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(Br)cc1 1862670638 YRRCULJCXBORSO-FQEVSTJZSA-N 442.353 5.561 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1c(Cl)cccc1Cl)c1ccc(F)cc1 1862681944 CZUFQTITFLXYBI-IBGZPJMESA-N 446.261 5.504 30 10 IKEE CCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccccc1 1862698244 DSTKYQRGKGRRDD-RUZDIDTESA-N 449.591 6.414 30 10 IKEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1cccc(Cl)c1)c1ccc2ccccc2c1 1862712057 ITMGUNLMTZQLLI-GGAORHGYSA-N 447.918 5.251 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)cc1 1862748948 MRIVHPHMXBCOFG-IVZQSRNASA-N 446.434 5.073 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(Cl)cc2)=C(c2cc(C)ccc2C)C1=O 1863396418 FHZUIIMZBUQYEE-UHFFFAOYSA-N 438.999 6.509 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2cccc(C)c2)=C(c2ccccc2[N+](=O)[O-])C1=O 1863597034 QJYUOAKFSNXJPD-UHFFFAOYSA-N 449.551 5.133 30 10 IKEE C[C@H](CC(=O)N[C@H](C(=O)Nc1cccc(C#N)c1)c1ccccc1)c1cccc(Cl)c1 1867186074 AORYLWVQRHYENH-OSPHWJPCSA-N 431.923 5.201 30 10 IKEE COc1cc2c(cc1OC)N(c1cc(Nc3ccccc3C#N)nc(C(C)(C)C)n1)CC2 1868349365 QOJOLUXZQMGUCA-UHFFFAOYSA-N 429.524 5.101 30 10 IKEE CC(C)[C@H]1c2ccccc2CCN1c1cc(Nc2ccccc2C#N)nc(C(C)(C)C)n1 1868350928 PWDQSCOUHDHSQH-VWLOTQADSA-N 425.580 6.149 30 10 IKEE CC(C)c1ccc(Cn2nnc(C#N)c2NC(=O)c2c(Cl)ccc(Cl)c2Cl)cc1 1870112168 RJDKPRLUFNDRPH-UHFFFAOYSA-N 448.741 5.534 30 10 IKEE CCCCCCCCn1cc(OCCOc2ccc(C)cc2)c(=O)cc1CSC(C)C 1870219119 OOIAJKHLHVNBQZ-UHFFFAOYSA-N 445.669 6.617 30 10 IKEE C=CCOc1cn(C[C@@H](O)c2ccc(Cl)cc2)c(CSCc2ccccc2)cc1=O 1870245826 GPEUIBWOUGTYHD-HSZRJFAPSA-N 441.980 5.234 30 10 IKEE CCCCCCCCn1cc(OCCc2ccc(OC)cc2)c(=O)cc1CN1CCCC1 1870605758 QVWDWTSYNFXUPX-UHFFFAOYSA-N 440.628 5.435 30 10 IKEE C=CCOc1cn(Cc2ccccc2F)c(CNc2ccc(OC(F)(F)F)cc2)cc1=O 1870813374 ISOZXXPWISPZCI-UHFFFAOYSA-N 448.416 5.111 30 10 IKEE C=CCOc1cn(CCCn2ccnc2)c(CNc2cc(C(C)C)cc(C(C)C)c2)cc1=O 1870814134 XUNRDNMEIAYZHF-UHFFFAOYSA-N 448.611 5.559 30 10 IKEE C=CCn1cc(OCCCCCCC)c(=O)cc1CNc1ccc(OC(F)(F)F)cc1 1870833469 KHPGRCYGTRFFQJ-UHFFFAOYSA-N 438.490 5.894 30 10 IKEE CCCCCCCCn1cc(OC)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870997073 JDIKWQVMLVUAQT-UHFFFAOYSA-N 433.596 6.573 30 10 IKEE Cc1c(OC(=O)c2ccccc2[N+](=O)[O-])ccc2c1O/C(=C\c1ccccc1Cl)C2=O 1871369462 MOMJLKWYCSEBJQ-NDENLUEZSA-N 435.819 5.392 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccco4)ccc3C2=O)cc1 1871369575 RUYFXDDUHFWTKU-WXCADIDISA-N 429.472 5.361 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OC(=O)c3ccc4nc(C)c(C)nc4c3)ccc2C1=O 1871379568 VTPJQUXMZDMXDU-UUYOSTAYSA-N 442.496 5.452 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc5nc(C)c(C)nc5c4)c3C)C2=O)o1 1871379710 WTNDWFQIRWGZBT-FMCGGJTJSA-N 440.455 5.292 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(-n5cccc5)cc4)c3C)C2=O)cc1 1871384510 WAAAPGOTLPKINV-UQQQWYQISA-N 435.479 5.930 30 10 IKEE CC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(C)c2)C3=O)c1 1871390117 HAAMGAMUMBKWER-QRVIBDJDSA-N 428.440 5.064 30 10 IKEE CN(C)c1ccc(/C=C2\Oc3cc(OCCCCOc4ccccc4)ccc3C2=O)cc1 1871403213 GHIFOTVDLWPKCG-ITYLOYPMSA-N 429.516 5.607 30 10 IKEE Cc1ccc(NC(=O)CCOc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871431727 UVHWFLSDDYHNCP-UCQKPKSFSA-N 433.891 5.672 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OC[C@@H]4CCCO4)cc(C)c3C2=O)c2cc(OC)ccc21 1871450242 RTWWONGVQIRXKY-MRKHCSQQSA-N 433.504 5.152 30 10 IKEE CCOc1ccc(/C=C(/C(=O)[C@H](C#N)c2nc(C(C)(C)C)cs2)c2ccccc2)cc1 1872768405 RPHNHPOPSFMRNS-VAZXNAHHSA-N 430.573 6.256 30 10 IKEE Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1[N+](=O)[O-] 1872769936 DNIZIIRNNPXHAF-ZDUSSCGKSA-N 432.288 5.824 30 10 IKEE Cc1cc(-c2csc([C@H](C#N)C(=O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)ccc1F 1872773161 XSHFVLZSGMJFCE-FFZOFVMBSA-N 447.535 5.044 30 10 IKEE CCCc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)cc1 1872778742 SHRWFTJOGQLFBD-OAQYLSRUSA-N 434.561 5.643 30 10 IKEE COc1ccccc1CC(=O)[C@H](C#N)c1nc(-c2cc(Cl)cc(C)c2OC)cs1 1872786282 GTLVKULZJHAMHL-KRWDZBQOSA-N 426.925 5.208 30 10 IKEE CCCCOc1ccccc1/C=N/Nc1cnn(-c2ccc(Cl)cc2)c(=O)c1Cl 1873526582 MGAMFZPEJKYAQX-ZMOGYAJESA-N 431.323 5.164 30 10 IKEE C=C(C)Cn1nc(C)c(CCC(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)c1C 1874184480 HXWAVCACNMAGLO-UHFFFAOYSA-N 437.971 5.880 30 10 IKEE CCCSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1sccc1C 1874206718 PSTKAXGEJSIMJD-UFFVCSGVSA-N 441.409 5.918 30 10 IKEE CSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874229251 AAMVJJYAZBZCKB-LSFURLLWSA-N 441.771 5.730 30 10 IKEE OCCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccccc1Cl 1874245484 HWSHLPBQBREPBG-MFKUBSTISA-N 445.032 5.047 30 10 IKEE C=CCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccc(N(C)C)cc1 1874256292 SQWNAZFMAJQAEH-MFKUBSTISA-N 435.597 5.009 30 10 IKEE CCCOc1ccccc1/C=N/n1c(CCc2ccccc2Cl)nnc1SCCC 1874279412 IGVCCAABMUXKES-KOEQRZSOSA-N 443.016 5.890 30 10 IKEE COc1ccc(/C=N/n2c(Cc3ccc(C)c(C)c3)nnc2SCc2ccccc2)cc1 1874358611 QRKSYOOMWIFLBW-WPWMEQJKSA-N 442.588 5.669 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1cccnc1 1874399181 IWNVZUIXJUGFKV-CIRUFVMISA-N 433.968 5.653 30 10 IKEE OCCCSc1nnc(CC2CCCCC2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874408532 BHTNFNPEZGFCCH-LPYMAVHISA-N 427.401 5.064 30 10 IKEE CCCOc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2cccc(C)c2)c1 1874437493 DJUJTLDHUPATJT-YZSQISJMSA-N 436.625 6.138 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccccn1 1874440577 JECMTNXCLRKMEY-WYMPLXKRSA-N 434.396 5.743 30 10 IKEE Cc1ccccc1CSc1nnc(C(F)(F)F)n1/N=C/c1ccc(Cl)c(Cl)c1 1874458675 ZXYKWONCAPLQAK-PGGKNCGUSA-N 445.297 6.087 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3ccccc3F)nnc2C(F)(F)F)c1 1874461249 DWMJPTLOSMYYPE-BRJLIKDPSA-N 438.450 5.399 30 10 IKEE COc1cc(/C=N/n2c(CC(C)C)nnc2SCc2cccc(F)c2)cc(Cl)c1O 1874489253 IIDFAOYOFHMHGG-BHGWPJFGSA-N 448.951 5.158 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccccc1Cl 1874517255 PIXSBFOVSSTRAO-AUEPDCJTSA-N 439.799 6.536 30 10 IKEE O=C(O)c1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2Cl)nnc1C1CC1 1874523380 NJSJNAIKFQHTPD-AUEPDCJTSA-N 447.347 5.335 30 10 IKEE Sc1nnc(C2CCCC2)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 1874559894 VTCKQVPJYDTLDJ-WYMPLXKRSA-N 447.391 5.992 30 10 IKEE Cc1ccc(Cc2nnc(S)n2/N=C/c2ccccc2OCc2ccc(Cl)cc2)cc1 1874561524 VTNFARYCERTNOW-CVKSISIWSA-N 448.979 5.581 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)cc2C)cc1 1874579396 LIWKWRSZTWUDSN-FMIVXFBMSA-N 433.935 6.179 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(Cl)ccc1OCc1ccccc1Cl 1874581623 XVYUDQPFWIWWQR-CSKARUKUSA-N 427.327 6.786 30 10 IKEE O=C(/C=C/c1ccccc1OCc1ccccc1Cl)c1ccc(Oc2ccccc2)cc1 1874584792 BDGHOSDZEDTDTL-KNTRCKAVSA-N 440.926 7.607 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2c(OCCCO)ccc3ccccc23)cc1Cl 1874588191 DYCXLDOZEDMKTI-MDZDMXLPSA-N 426.896 5.168 30 10 IKEE Cc1ccc(C)c(COc2ccc(Cl)cc2/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)c1 1874590883 WZHSYKWYSAXPPE-JLHYYAGUSA-N 447.018 8.038 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc1OCCc1ccccc1 1874597963 MOGVINMNWDWGHX-SDNWHVSQSA-N 444.571 6.519 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc([N+](=O)[O-])c1OCc1ccccc1 1874627346 KXVQGEJGZZTZBN-DHZHZOJOSA-N 439.414 5.747 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2OC)ccc1OCc1cc(C)ccc1C 1874632594 LFDLATGOXOLSRP-UKTHLTGXSA-N 446.543 6.194 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OC(=O)COCc1ccccc1 1874700609 BYZKSHWXYAHNAC-NTUHNPAUSA-N 436.891 5.367 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OC(=O)Cc1ccc(F)cc1F 1874701263 JOMZJKZSFOFGEV-BJMVGYQFSA-N 436.454 5.634 30 10 IKEE CCCOc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C)cc3C)c2)cc1 1874702018 FWVOWNWNMBAQCB-RVDMUPIBSA-N 428.528 6.136 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1OC(=O)[C@H](C)c1ccccc1 1874706477 KACISFRUNWJHRI-VEGGFIAOSA-N 444.483 5.072 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)c2)cc1 1874709859 LRYMQEKKUUJFLJ-ZQHSEKRFSA-N 444.958 7.069 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)Cc2cc(C)ccc2C)c(Cl)c1 1875118691 IZESVXUBEVICOY-ZRDIBKRKSA-N 434.919 6.010 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3OC)cc2)cc1 1875143762 PMKOALBKEULGEW-OVCLIPMQSA-N 446.499 5.283 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)c3cccc(F)c3)c(Cl)c2)c1 1875145580 NPNZBIXNJVVQMN-RMKNXTFCSA-N 440.854 5.612 30 10 IKEE Cc1cccc(C)c1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1 1875148908 OAYXQILBNUIUFM-WOJGMQOQSA-N 442.555 6.481 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1F 1875152985 WUMRXROOZNZORD-VIZOYTHASA-N 432.491 6.247 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)CC(C)(C)C)c(OC)c2)c(C)c1C 1875168207 XCRWHQPBSHUQBF-PKNBQFBNSA-N 440.536 5.567 30 10 IKEE Cc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)cc2Cl)c1 1875168690 PWZCQPXVLDYCGU-PKNBQFBNSA-N 432.947 6.997 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc1Cl 1875193084 RRVGEDUNCIEHTI-DHZHZOJOSA-N 435.347 6.774 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](O)c1c(Cl)ccc(Cl)c1Cl 1922074593 OPTAOKJMGUWEKO-RTWAWAEBSA-N 428.787 5.821 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)[C@@H]2CCC[C@H]21 1926546943 WDMFEEUIYKQVLW-OSWMTFESSA-N 445.535 5.249 30 10 IKEE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 1944890143 GNVOUHYXHFKNCX-MHECFPHRSA-N 429.561 5.357 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)CC12CCC2 1949850226 JVSOKBYSCHUBIE-DEOSSOPVSA-N 433.593 5.382 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@H]1CN(C(=O)OC(C)(C)C)CC12CCCC2 2006547439 NIHKZZXJURTNMK-DHIUTWEWSA-N 428.617 5.165 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1c(F)cccc1Cl)c1ccccc1 2033814167 ZOFKQOGLWTWPFW-LJQANCHMSA-N 427.884 5.319 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C[C@@H]1C1CC1 2073784200 XSRIVFPBIILJKW-CJFMBICVSA-N 447.620 5.628 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)c1 2076315343 BBWKRNZPPDZZTP-UQBPGWFLSA-N 443.588 5.666 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@]2(C)CCCN2C(=O)OC(C)(C)C)cc1 2076983789 LVLVHKLSBZNHDU-YADARESESA-N 445.560 5.118 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2077947301 FPZNNJFLCDSBMM-QUCCMNQESA-N 443.588 5.664 30 10 IKEE Cc1ccc([C@H](C(C)C)n2nc(C3CCC3)c(/C=N/O)c2I)cc1 2079005785 PTBJGYKCJQNFAF-NIQDBXHUSA-N 437.325 5.117 30 10 IKEE Cc1cc(C)c([C@@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C(C)(C)C)c(C)c1 2080053284 HHCJAWICLWJIGH-LJQANCHMSA-N 432.406 6.066 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)cc(Br)c1)NCC 2110497242 FUJARLGQSVKKEB-QZTJIDSGSA-N 445.829 5.483 30 10 IKEE CN(Cc1cccc(Cl)c1Br)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2154462909 GIOXAHRIOFGTAI-UHFFFAOYSA-N 436.586 5.038 30 10 IKEE CC1(C)C[C@](C)(c2ccccc2)c2cccc3c2N1C(=O)/C3=N/c1ccc2oc(=O)ccc2c1 2185889444 RUJDPBBFWJJAAJ-YRXPKUDXSA-N 448.522 5.749 30 10 IKEE O=C(C#Cc1ccccc1Br)c1cc(Br)cc(Br)c1 2227506595 RQANCNYUPVOBMA-UHFFFAOYSA-N 442.932 5.209 30 10 IKEE C=CCN(CC[C@H](NCCC)c1ccc(Br)cc1OC)C(=O)OC(C)(C)C 2239660410 INDOXZNWEKLHCY-SFHVURJKSA-N 441.410 5.312 30 10 IKEE C=CCN(CC[C@H](NC)c1cc(Br)cc(C(C)C)c1)C(=O)OC(C)(C)C 2266001741 FNHHMQGEEWOHPK-IBGZPJMESA-N 425.411 5.646 30 10 IKEE CC(C)(C)N=CC=C(Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1ccccc1 2293926054 NKHFUGFAONPQQI-UHFFFAOYSA-N 437.612 7.746 30 10 IKEE C=CCN1C(=O)C(=Cc2ccccc2OCCOc2ccc(C)cc2C)SC1=S 2297624634 SBCRFMDTQRFMEB-UHFFFAOYSA-N 425.575 5.148 30 10 IKEE O=C1NC(=Nc2ccc(Cl)cc2)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1 2314487042 GESMHWXARUFKSV-UHFFFAOYSA-N 425.853 6.036 30 10 IKEE Sc1nnc([C@H]2CCCO2)n1N=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1 2321934977 AWESOIJGUWGKIL-GOSISDBHSA-N 449.363 5.186 30 10 IKEE Cc1cc(C)cc(OCCN2COc3ccc4c(c3C2)OC(=Cc2cccc(F)c2)C4=O)c1 2322193119 CZXWSOLGDGKEDH-UHFFFAOYSA-N 445.490 5.290 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(Cl)ccc1OCc1cccc2ccccc12 2322646540 OPANOZJVCIJUEB-UHFFFAOYSA-N 442.942 7.285 30 10 IKEE O=C(C=Cc1ccccc1OCc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCCO2 2322667292 CGHHTRKHJIAWLF-UHFFFAOYSA-N 441.310 6.240 30 10 IKEE COc1cc(Br)cc(C=CC(=O)c2ccc(C(C)C)cc2)c1OCCCO 2322737847 BCSXIVRJOBFUMG-UHFFFAOYSA-N 433.342 5.238 30 10 IKEE Cc1cc(OC(=O)Cc2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1ccc3c(c1)OCO3)O2 2322901004 BSXKIEOIAXFAEF-UHFFFAOYSA-N 448.858 5.141 30 10 IKEE Cc1cc(OC(=O)c2cccc(Cl)c2)cc2c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O2 2322915975 IGZGNEQTACAWTA-UHFFFAOYSA-N 446.930 6.781 30 10 IKEE Cc1ccccc1NC(=O)COc1cccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)c1 2323044298 GEITWOOJVXXVDO-UHFFFAOYSA-N 447.534 6.576 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1OCc1cccc(C)c1 2323073156 IZOODATZKOLISF-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc2c(c1)OC(=Cc1cccc(Cl)c1)C2=O 2323172890 RMIVHEOEZAZOMI-UHFFFAOYSA-N 448.902 6.029 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OCC(=O)N[C@@H](C)c2ccccc2)c1 2323177384 KAHYPZJLKAQANZ-FQEVSTJZSA-N 429.516 5.156 30 10 IKEE CCCN(CCC)C(=O)COc1cccc(C=CC(=O)c2cc(Cl)ccc2Cl)c1 2323327583 ACFBHBFJTHKOLN-UHFFFAOYSA-N 434.363 5.917 30 10 IKEE Cc1cc(OC(=O)c2cc(Cl)ccc2Cl)cc2c1C(=O)C(=Cc1ccccc1)O2 2323581458 HTLOUPDCGUVDQJ-UHFFFAOYSA-N 425.267 6.137 30 10 IKEE Cc1cc(OC(=O)c2ccc(OCC(C)C)cc2)cc2c1C(=O)C(=Cc1ccncc1)O2 2323635242 WJPUBQXOPSJVOD-UHFFFAOYSA-N 429.472 5.260 30 10 IKEE CCCCCCCCCCN1C(=O)C(=Cc2ccc(OCC)c(OCC)c2)SC1=S 2323720793 GYRPMJLEUYNRFP-UHFFFAOYSA-N 449.682 6.826 30 10 IKEE CCCOc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2Cl)C3=O)c1 2323831909 RADFEHYZDFCYFB-UHFFFAOYSA-N 448.902 6.273 30 10 IKEE COc1cccc(-c2csc(NN=Cc3ccc(OC(C)C)c(Br)c3)n2)c1 2323840656 FSZXEHXMEPGVSB-UHFFFAOYSA-N 446.370 5.814 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3nccs3)cc2)c2ccccc12 2324672982 GVOXTMVVAALNLG-UHFFFAOYSA-N 444.512 5.219 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1ccc2c(c1C)OC(=Cc1ccccc1F)C2=O 2325092756 GJAJBRNWFDOBIQ-OAQYLSRUSA-N 440.511 6.031 30 10 IKEE CCCN(CCC)C(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc(C(C)C)cc1)C2=O 2325198689 VSGZPNGDVBHTSY-UHFFFAOYSA-N 435.564 5.762 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3)n2N=Cc2ccc(O)cc2)c1 2325449076 RNRUOHQTVCSIQF-UHFFFAOYSA-N 442.588 5.560 30 10 IKEE CC(C)c1ccc(C=C2Oc3cc(OCCC(=O)Nc4ccccc4)ccc3C2=O)cc1 2325474467 DQJACXSYESIHKG-UHFFFAOYSA-N 427.500 5.834 30 10 IKEE COc1ccc(Cl)cc1NC(=O)COc1ccc2c(c1)OC(=Cc1cccc(C)c1)C2=O 2325708583 JMSRSQRTUSUSFL-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE O=C(C=Cc1cccc(OC(=O)[C@H]2C[C@H]2c2ccccc2Cl)c1)c1cccc(Cl)c1 2325728787 BKVWQHFSUOZFJA-VXKWHMMOSA-N 437.322 6.599 30 10 IKEE CCOc1ccc(C=Nn2c(CC)nnc2SCc2cc(C)cc(C)c2)cc1Cl 2326401288 LNOFSQMRASTWAV-UHFFFAOYSA-N 428.989 5.684 30 10 IKEE Cc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1N=Cc1ccc(C(C)C)cc1 2326867735 KLGQTVMINPEJKU-UHFFFAOYSA-N 426.542 5.043 30 10 IKEE CSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1ccc(C(F)(F)F)cc1 2326960703 DEBRSAPAKOFSRK-UHFFFAOYSA-N 434.487 5.221 30 10 IKEE C=C(C)CSc1nnc(Cc2cccc3ccccc23)n1N=Cc1cccc([N+](=O)[O-])c1 2327751606 RLODDZDKTSUQTI-UHFFFAOYSA-N 443.532 5.481 30 10 IKEE CCCCC1CCC(c2nnc(SCC(=O)OC)n2N=Cc2ccc(F)cc2)CC1 2328195028 SLLFXLUEOFFGQA-UHFFFAOYSA-N 432.565 5.029 30 10 IKEE CCCCCOc1ccc(C=Nn2c(COc3ccc(C)c(C)c3)nnc2SC)cc1 2328767124 NYVMGDHUIMFQNZ-UHFFFAOYSA-N 438.597 5.647 30 10 IKEE Cc1cccc(OCc2nnc(SCc3cccc(F)c3)n2N=Cc2cccn2C)c1C 2328833299 KGIAVQDOJRVQEU-UHFFFAOYSA-N 449.555 5.126 30 10 IKEE Cc1ccc(C)c(CSc2nnc(COc3ccccc3)n2N=Cc2ccccn2)c1 2329919010 YINKAJIJSGHNIZ-UHFFFAOYSA-N 429.549 5.043 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2ccc(O)cc2)cc1 2330004221 POYPMJRLMVCHGA-UHFFFAOYSA-N 428.561 5.100 30 10 IKEE Fc1ccc(CSc2nnc(Cc3cccs3)n2N=Cc2cccc(F)c2)cc1 2330335580 ZLCCMYMWPPKQPW-UHFFFAOYSA-N 426.517 5.383 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)[C@H](C)CC 2330589417 MRPQJSJWEIDQIY-HYBUGGRVSA-N 445.604 5.396 30 10 IKEE O=[N+]([O-])c1ccccc1C=Nn1c(SCc2ccccc2F)nnc1C1CCCC1 2331069673 LOSOSRSFNPGPQA-UHFFFAOYSA-N 425.489 5.158 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3F)cc2Cl)cc1 2331087241 KKDOVMLUJVURCF-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE O=[N+]([O-])c1cc(C=Nn2c(SCc3ccccc3)nnc2-c2ccco2)ccc1Cl 2331205089 DANPPTWUOBJIQC-UHFFFAOYSA-N 439.884 5.274 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)cc3F)c(Cl)c2)c(C)c1 2331219041 FDEUSDAMRAGKPI-UHFFFAOYSA-N 440.873 6.279 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3)c([N+](=O)[O-])c2)ccc1F 2331340283 XZCLJCPPGNGHFK-UHFFFAOYSA-N 433.435 5.477 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1cccc(OC)c1O 2331349359 MRUZIUNJFCRDET-UHFFFAOYSA-N 430.961 5.163 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)cc([N+](=O)[O-])c1OC(=O)CC 2331863098 TYJFHQAYIJDBEN-UHFFFAOYSA-N 438.263 5.512 30 10 IKEE CC1(C)C[C@H]1C#CC(=O)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2339568389 OFNXTPZBVBFNRQ-YWEHKCAJSA-N 440.539 5.497 30 10 IKEE Cc1cc(Nc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)cc(C)c1Br 2364848194 FRTHNXFGWQAOEZ-UHFFFAOYSA-N 437.574 5.157 30 10 IKEE C[C@H](Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)c1cscc1Br 2365102793 FAANRPMOHSDHFT-ZDUSSCGKSA-N 435.196 5.723 30 10 IKEE Cc1c(Cl)cc(C(=O)N2CC[C@@](C)(B3OC(C)(C)C(C)(C)O3)C2)cc1Br 2368350196 LTKGLFVZHBOJPQ-LJQANCHMSA-N 442.590 5.109 30 10 IKEE Cc1ccc(C)c(N/C(S)=N/C(=N\c2nc(C)cc(C)n2)N2CCc3ccccc3C2)c1 14159914 JMBDVBLNDDQDAO-UHFFFAOYSA-N 444.608 5.154 30 10 IKEE CCc1ccc(NC(=O)CN2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)cc1 21355749 XFARLUOGFIBODQ-HHHXNRCGSA-N 441.531 5.461 30 10 IKEE COC(C)(OC)c1ccc(C#N)c(SCc2csc(Cc3ccc(C)cc3)n2)n1 23336496 QEVBEALTQNGUFC-UHFFFAOYSA-N 425.579 5.067 30 10 IKEE CCOc1ccc2ccccc2c1/C=C1\S/C(=N/c2ccccc2)N(CCOC)C1=O 33349045 BGOFCPTWTLESKZ-CGINZGNNSA-N 432.545 5.489 30 10 IKEE CC(C)CCOc1ccc(Br)cc1C(=O)N(CCC#N)Cc1ccccc1 36563574 SCNADONUVBEXDY-UHFFFAOYSA-N 429.358 5.430 30 10 IKEE Cc1nc(SCCC(=O)Nc2sc3c(c2C#N)CCCC3)cc(-c2ccccc2)n1 40171973 IOGWFANFJJWDPD-UHFFFAOYSA-N 434.590 5.385 30 10 IKEE C=CCc1ccc(OCCCn2c(COc3ccc(C)cc3)nc3ccccc32)c(OC)c1 40234832 RQOCEMDIDAVMRC-UHFFFAOYSA-N 442.559 6.130 30 10 IKEE Cc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(CCCc3ccccc3)C4)C2=O)cc1 41586721 CQLBGUTZHQSIIB-MYYYXRDXSA-N 425.528 5.704 30 10 IKEE C=C(C)[C@@H]1CC[C@]2(C)[C@@H](O)C[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 44386973 AJBZENLMTKDAEK-SKESNUHASA-N 442.728 6.996 30 10 IKEE biogenic O=C(/C(=C\c1c(F)cccc1F)c1nc2ccccc2[nH]1)c1ccc(Br)cc1 50647600 LAMHXVFJKLZVQF-FOWTUZBSSA-N 439.259 6.027 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccccc2SCC)nnc1-c1cccc(Cl)c1 59794753 HBTMQJOQYDIIHK-UHFFFAOYSA-N 445.013 5.627 30 10 IKEE CCCCCCCOc1cccc(NC(=O)CNc2ccc(C(=O)NC(C)C)cc2)c1 100108899 KKYPBESFKGHVJI-UHFFFAOYSA-N 425.573 5.225 30 10 IKEE CCCCCCCCCCCCn1c(-c2ccc(Br)cc2)nc2ccccc21 102195985 LVZACKNJGPRBHK-UHFFFAOYSA-N 441.457 8.387 30 10 IKEE CCOc1cc(/C=N/Nc2ccc(C)c(C)c2)ccc1OCc1c(Cl)cccc1Cl 169876656 HUBGKNNWKICUJV-MZJWZYIUSA-N 443.374 7.034 30 10 IKEE CCCN1C(=S)N[C@@H](c2ccc(OCc3ccc(Cl)cc3)cc2)C(C(C)=O)=C1C 169930161 REFJKFHIBFDXMQ-QFIPXVFZSA-N 428.985 5.423 30 10 IKEE COc1cccc(-c2csc(N/N=C\c3ccc(OCc4ccccc4)c(Cl)c3)n2)c1 169939967 USBKUYBOFLCJPJ-WGARJPEWSA-N 449.963 6.497 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1c1ccc(C#N)cc1 169945670 YAMSNOLOJXQZIL-QFIPXVFZSA-N 444.874 5.003 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1cccs1)c1ccc2ccccc2c1 169988364 ZZKOVGUUOTYVMB-JOCHJYFZSA-N 447.462 5.962 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@H]2c2ccncc2)cc1 170022113 FFUXIKGASFQPEB-QFIPXVFZSA-N 432.907 5.389 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@@H]2c2ccccc2)c1 170049272 QKYXXIBDAQHEGE-RUZDIDTESA-N 439.555 6.384 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2ccccc2)cc1 170054398 MELXPDOORQZHEE-XMMPIXPASA-N 427.500 5.091 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2ccccc2C)c1 170086942 YLJYBWSMKHSVQW-NRFANRHFSA-N 448.544 5.250 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccc(C)c2)cc1C 170139227 GCDZTFOBXSNIHH-QHCPKHFHSA-N 447.556 5.542 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 170142428 PQOCIEZCKKUEDF-XMMPIXPASA-N 434.451 5.396 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2C2CCCCC2)c1 170145483 MSAPJQRAMDBRBQ-RUZDIDTESA-N 447.575 6.002 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2cccs2)cc1C 170157955 CFHGNJJCXBIVJD-QHCPKHFHSA-N 447.556 5.935 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccncc2)cc1C 170200910 VQTYQOWNMOGLHK-DEOSSOPVSA-N 442.515 5.270 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1ccccc1 170224759 YIRVWGQRJHTDCP-NRFANRHFSA-N 449.890 5.146 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(F)cc1 170243865 BCFYBUQSLRMUMV-QFIPXVFZSA-N 425.500 5.381 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1F)c1ccc(Cl)c(Cl)c1 170251637 NTCPYVKOROLCMA-HXUWFJFHSA-N 448.321 6.044 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@@H]1c1ccccc1F 170253138 BWPHSOFTTXRSTA-NRFANRHFSA-N 445.918 5.646 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2ccccc2C)c1 170271603 ZLZJLDJJBNTGLJ-VWLOTQADSA-N 439.511 5.411 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccc2C)cc1C 170271645 WHZXZXVYDLUMOO-RUZDIDTESA-N 441.527 5.712 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccc(C)o2)c1 170297697 DYBDAIAQDAXYHS-DEOSSOPVSA-N 443.499 5.258 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccc(C)o2)cc1 170303511 MAGDSVCSLJIZAE-NRFANRHFSA-N 437.879 5.423 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1sccc1C 170315491 NNLCGYILQAKXLD-LJQANCHMSA-N 434.473 5.056 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2sccc2C)cc1C 170315640 JFTCKJMFGYBHIM-QFIPXVFZSA-N 447.556 5.773 30 10 IKEE COc1cccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cccc(OC(F)(F)F)c2)c1 170429421 AWUWBDOCIWATJY-SFHVURJKSA-N 449.425 5.109 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cc(F)ccc2F)cc1 170454742 DDQZHOUUSCTHJC-OAQYLSRUSA-N 442.506 5.326 30 10 IKEE CC(C)c1ccc([C@@H]2C(c3cccc4ccccc34)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526492436 XOCOZKKGQZLVMM-MUUNZHRXSA-N 444.534 6.892 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(OC(C)C)cc2)cc1 526605322 VWYKZIAJDPPUQH-RUZDIDTESA-N 440.499 5.411 30 10 IKEE CCCCOc1ccc([C@@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526608352 IHNZSZKYMTZNMK-AREMUKBSSA-N 438.527 6.103 30 10 IKEE N#Cc1ccc(NC2=C(Sc3ccc(Cl)cc3)C(=O)N(c3ccccc3)C2=O)cc1 526664340 VFTWSZVXLNBKJM-UHFFFAOYSA-N 431.904 5.201 30 10 IKEE CC(=O)Oc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Cl)cc2)cc1 526743584 BCOOOZASJNSFQV-QFIPXVFZSA-N 447.874 5.048 30 10 IKEE Clc1ccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccccc2)cc1 526798992 AUHYBAVFJYFJKL-ONUIUJJFSA-N 432.980 5.891 30 10 IKEE CCCCOc1cccc(/C=N\n2c(CCCC)nnc2SCc2ccc(C#N)cc2)c1 526821921 AUKXMWWNVPMIHW-IMRQLAEWSA-N 447.608 5.846 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)N3CCCC[C@@H]3CC)C2)c1 585966426 NBKHRGGUFHQOCP-PKTZIBPZSA-N 440.632 5.103 30 10 IKEE C=C(C)CN(c1ccc(Br)c(C)c1)S(=O)(=O)c1ccc(OC(C)C)cc1 586256451 HRQYIGBLYXCRPR-UHFFFAOYSA-N 438.387 5.316 30 10 IKEE C=CCN(CC=C)C(=O)Nc1cccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)c1 586672611 AQGGUAGOYYBETR-UHFFFAOYSA-N 426.520 5.888 30 10 IKEE CCCCCCCCC[C@H](N)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 693709570 VEBUAZSKQQPHTC-OZXSUGGESA-N 431.665 5.624 30 10 IKEE C=CCC1([C@@H](Cc2sccc2Br)NCCC)CN(C(=O)OC(C)(C)C)C1 722920861 RLOANZXEKQXUEX-QGZVFWFLSA-N 443.451 5.235 30 10 IKEE CCN1C(=O)C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)SC1=Nc1ccc(F)cc1 1084419116 SXDMNGBSXDKZSW-MRXNPFEDSA-N 440.327 5.113 30 10 IKEE C[C@@H]1C[C@@H](C)CN(/C(=N/Cc2cc(Br)ccc2F)Nc2cccc(O)c2)C1 1088652438 PLVUTACLUZMRST-HUUCEWRRSA-N 434.353 5.240 30 10 IKEE COc1ccc(OC)c(C=Nc2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)s2)c1 1565517682 QEMPFDANDCLWEO-UHFFFAOYSA-N 426.847 6.250 30 10 IKEE O=C1N=c2ccc(/N=C/c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)cc2=N1 1614299513 IJLBXKSJLJSJPJ-KBKYJPHKSA-N 433.298 5.120 30 10 IKEE C/C(=C1\SC(=Nc2cccnc2Cl)N(c2ccccc2)C1=O)c1ccc(Cl)cc1 1772736066 WWFJGRCBQXPHME-SVKNRIHUSA-N 440.355 6.587 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(-c3ccccc3Cl)o2)SC1=Nc1cccc(C)n1 1772737425 OAVUMUWJTRZABC-QNPCYTEQSA-N 435.936 6.093 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(C(=O)O)cc2)SC1=Nc1nc(-c2ccccc2)cs1 1772738749 RFPHJYWHNFLZLA-RFWMEDTCSA-N 435.530 5.132 30 10 IKEE CCCCCCCCCCN1C(=O)/C(=C\c2ccc(OC)c(OCC)c2)SC1=S 1858586336 AEGXHDFSNGDBOQ-HEHNFIMWSA-N 435.655 6.436 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)c1ccccc1OCC(C)C 1861358888 JHFSHMVLXJIGTF-OAQYLSRUSA-N 436.662 5.050 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)Cc1c[nH]c2ccccc12 1861388131 IALPFXPCGDZXJR-DEOSSOPVSA-N 427.633 5.642 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccccc2F)cc1C 1862401516 CQFGGFNPTYTSDS-HSZRJFAPSA-N 437.511 5.444 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862407968 AAUIQKDJCHSQCJ-FQEVSTJZSA-N 448.346 5.689 30 10 IKEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@@H]2c2ccccc2)cc1 1862413256 YORMHZWCSCTQLC-CMJOXMDJSA-N 449.453 5.313 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CCCC2)cc1 1862421128 UXWVDIZFGSDKTG-JOCHJYFZSA-N 439.502 5.783 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(C(C)C)cc1 1862432756 MGCDFFVRENYCMP-JOCHJYFZSA-N 425.956 6.232 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccccc1F 1862441736 CCPZMBYWFYTCDK-OYHNWAKOSA-N 435.882 5.819 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccccc1F 1862443650 SDZLNNMGYKZDRD-JOCHJYFZSA-N 443.946 6.418 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1Cl 1862446352 QHFLBCBQWXHJQJ-MMACOIQUSA-N 444.358 6.150 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccccc2C)cc1 1862475108 DISUGAGIDJJDIO-RUZDIDTESA-N 425.528 5.433 30 10 IKEE CCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1 1862475441 LOTDKURNVPFIDI-VWLOTQADSA-N 433.592 6.714 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 1862479682 NLBRUSHKKGJDBJ-NIDLKEISSA-N 445.603 6.450 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(F)cc1F 1862491220 NYISONDBOGQHML-JOCHJYFZSA-N 427.491 5.740 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(O)c(OC)c1 1862492666 WRXCBJBSZVZYSI-HSZRJFAPSA-N 437.536 5.176 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862555862 JUGHHJHFNUUAQQ-DEOSSOPVSA-N 430.548 5.300 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(Br)cc1 1862656931 QIQZGALNDIPIOY-HXUWFJFHSA-N 436.305 5.201 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2ccccn2)c1 1862661986 YTFLDPDDZFYBDO-DEOSSOPVSA-N 426.516 5.292 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(Cl)c2)c1 1862675355 IRZMNEDHOAIYSH-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(C)cc1 1862699379 UGOKSFUOOMJTIR-URXFXBBRSA-N 435.564 5.941 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CC(C)C)cc1 1862718323 XYNXZDOPIWHOSX-XMMPIXPASA-N 429.516 5.473 30 10 IKEE Cc1c(Cl)cccc1C(=O)Nc1c(Br)cc(C#N)cc1Br 1866124263 NSMLDQBQZYPFMX-UHFFFAOYSA-N 428.511 5.297 30 10 IKEE CCCN(CCCN(C)C)c1cc(Nc2cccc(C#N)c2)nc(-c2ccccc2C)n1 1868292869 OQPABSSEOILYMT-UHFFFAOYSA-N 428.584 5.235 30 10 IKEE C[C@@H]1CN(c2cc(Nc3ccc(C#N)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)CCO1 1868553565 XZSHPUBTILSJPZ-GOSISDBHSA-N 427.552 5.281 30 10 IKEE C=CCn1cc(OCc2c(F)cccc2Cl)c(=O)cc1CNc1ccc(C)c(Cl)c1 1871089529 PKLUERJEMKKHFG-UHFFFAOYSA-N 447.337 5.980 30 10 IKEE C=CCn1cc(OCc2ccccc2Cl)c(=O)cc1CNc1cccc(C(C)(C)C)c1 1871242798 WKEQOINLAKVYHL-UHFFFAOYSA-N 436.983 6.176 30 10 IKEE C=CCn1cc(OCCC(C)C)c(=O)cc1CNc1ccc(Cl)c(C(F)(F)F)c1 1871253362 WGXKZALSMSAAQK-UHFFFAOYSA-N 428.882 5.744 30 10 IKEE Cc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCCOC(C)C)cc1 1871253952 NAZYHGWDUXBDOJ-UHFFFAOYSA-N 445.563 5.035 30 10 IKEE CCc1ccc([C@@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2ccc(C)cc2)C4=O)cc1 1871353950 BYHKLNVHZNCLRM-APQFFPOMSA-N 425.528 6.087 30 10 IKEE Cc1nc2ccc(C(=O)Oc3ccc4c(c3)O/C(=C\c3cccc(F)c3)C4=O)cc2nc1C 1871379149 NWVIALFJKXOTFR-MYKKPKGFSA-N 440.430 5.221 30 10 IKEE Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(C)o2)C3=O)c(C)c1 1871403139 SQRBIYGYPUANOJ-QRAWFLTRSA-N 431.488 5.535 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)Nc2cccc(Cl)c2C)cc2c1C(=O)/C(=C/c1ccco1)O2 1871408073 TVTCTDUHGDIXCY-SYZMQFJCSA-N 437.879 5.572 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)c1 1871410704 AHYSMWSXMXTREP-DNNAEVNTSA-N 445.490 5.773 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCc4cccc(Oc5ccccc5)c4)c3C)C2=O)cc1 1871436843 SOTCZLHGLPPRRE-VEILYXNESA-N 448.518 7.291 30 10 IKEE C=CCN(CC=C)c1nc(=NCCCC)nc(Nc2ccc(OCc3ccccc3)cc2)[nH]1 1871635407 LUOAIOKDVSMNJP-UHFFFAOYSA-N 444.583 5.007 30 10 IKEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)c(C)c1 1871888200 ODEWREAVIXYBEW-DEOSSOPVSA-N 442.625 5.150 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(F)cc1 1872556547 ISNNSAUVGLDAHY-QHCPKHFHSA-N 446.588 5.207 30 10 IKEE CCCc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 1872761720 UDRHPKQUEWWBPN-LJQANCHMSA-N 436.533 5.035 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccccc3)n2)cc1OCCC 1872767441 RSKLFAIVHJXVJX-HXUWFJFHSA-N 434.561 5.807 30 10 IKEE Cc1cccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1C 1872769111 KAHWJBQMGYMULR-OAHLLOKOSA-N 431.344 5.989 30 10 IKEE CCc1cccc(C)c1N1C[C@@H](C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)CC1=O 1872769910 CRAMZEBOZRKWPA-SFTDATJTSA-N 443.572 5.219 30 10 IKEE Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1[N+](=O)[O-] 1872769935 DNIZIIRNNPXHAF-CYBMUJFWSA-N 432.288 5.824 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3cc(C)ccc3OC)cs2)cc1OC 1872771414 UCTHAELEFUKBIK-XSBJJCPUSA-N 448.544 5.424 30 10 IKEE CC(C)c1ccc(-c2csc([C@H](C#N)C(=O)COc3cc(Cl)ccc3Cl)n2)cc1 1872776552 RWUVMURYOXADDL-QGZVFWFLSA-N 445.371 6.496 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)c2ccc(Cl)nc2)n1 1872777709 UFAHNUSTZNSXHY-INIZCTEOSA-N 425.941 5.655 30 10 IKEE CCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1 1872787004 YQGGEAALBRZZBS-GOSISDBHSA-N 426.925 5.669 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2Br)C(=O)N(CC)C1=O 1873070492 XJDKFVFAZOHJAE-UHFFFAOYSA-N 435.406 5.279 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2)C(=O)N(CCC2=CCCCC2)C1=O 1873159514 YAIUBCFXWCLSKX-UHFFFAOYSA-N 436.640 6.387 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2[C@@H](C)CC)=C(c2ccc(-n3cccc3)cc2)C1=O 1873203152 BNTYCKQLZDIYEM-IBGZPJMESA-N 425.532 5.369 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2OCC)=C(c2ccccc2C)C1=O 1873305452 FJTMJUCUIOGJKO-UHFFFAOYSA-N 434.580 5.946 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(CC)cc2)cc2c(NCc3ccccc3F)ncnc21 1873637019 KJGVIEJBSSZPNE-UHFFFAOYSA-N 429.499 5.183 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(OCCCC)cc1)n2CCC 1873656785 MHGDVXNPFPPEKF-UHFFFAOYSA-N 447.583 5.451 30 10 IKEE C=C(C)COc1ccc2c(C)c(CCC(=O)NCCCCc3ccccc3)c(=O)oc2c1 1873918036 JHZFIAHXFXGYFK-UHFFFAOYSA-N 433.548 5.128 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3c(Cl)cccc3Cl)c(=O)oc2c1C 1873945789 KLIVFMDTDHSIKR-UHFFFAOYSA-N 446.330 5.853 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccc(OCCCC)cc3)c(=O)oc2c1 1873954317 MLSKURRZRWSBLB-UHFFFAOYSA-N 435.520 5.416 30 10 IKEE CCCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1cc(C)ccc1O 1874213870 JRHOIAIVXAOSJV-BUVRLJJBSA-N 444.988 5.341 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1cccc(F)c1 1874214444 MLBFTKWDHWNYSG-BUVRLJJBSA-N 432.952 5.467 30 10 IKEE C=C(C)CSc1nnc(COc2c(C)cccc2C)n1/N=C/c1ccc(F)cc1F 1874299565 HVXUMJJFSZMSOL-OPEKNORGSA-N 428.508 5.303 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CCc3ccccc3OC)nnc2SCC)cc1 1874313320 ORWHSDBHRAOWCL-XIEYBQDHSA-N 438.597 5.245 30 10 IKEE Cc1ccccc1CCc1nnc(SCCc2ccccc2)n1/N=C/c1cccc(O)c1 1874362337 ZPTLIAZKJLENMM-ZXVVBBHZSA-N 442.588 5.294 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCc3ccccc3)nnc2[C@@H](C)c2ccccc2)c1 1874395613 QTIHAKRZQSJGIR-JHKMYFMNSA-N 428.561 5.618 30 10 IKEE O=C(CSc1nnc(CC2CCCCC2)n1/N=C/c1cccs1)Nc1ccccc1 1874405130 ILMIGXRPWOVBCI-HZHRSRAPSA-N 439.610 5.075 30 10 IKEE Cc1ccccc1/C=N/n1c(CC2CCCCC2)nnc1SCc1cccc(Cl)c1 1874408810 QWCDDEYWHCEANJ-WGOQTCKBSA-N 439.028 6.537 30 10 IKEE O=[N+]([O-])c1cccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2F)c1 1874416754 GLPBERAQDKHFOG-MFKUBSTISA-N 447.495 5.091 30 10 IKEE COc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2F)cc1 1874416951 QEAIPVHTGZNTIX-WGOQTCKBSA-N 432.524 5.191 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2-c2cccs2)cc1 1874420341 HPZIXKRYAQNNOL-BUVRLJJBSA-N 434.590 5.888 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccccc3)n2/N=C/c2ccc(C(C)(C)C)cc2)c1 1874427126 RWTLYMDPPXBDKC-MTDXEUNCSA-N 440.616 6.726 30 10 IKEE COc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccc(F)cc2)c(OC)c1 1874437254 RVYAQRIZCXMOQP-AFUMVMLFSA-N 442.560 5.198 30 10 IKEE COc1ccc(OC)c(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccccc2F)c1 1874438319 ALDBCBRDHUGKOT-AFUMVMLFSA-N 442.560 5.198 30 10 IKEE Fc1cccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2[C@@H]2CCCO2)c1 1874451814 QCQCZVPKZVJHCX-DAFNMPDCSA-N 434.899 5.236 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2ccc(F)cc2F)cc1 1874454138 BYOZTVGTXFNPFB-WYMPLXKRSA-N 443.479 5.297 30 10 IKEE COc1cc(/C=N/n2cnnc2SCCc2ccccc2)ccc1OCc1ccccc1 1874538741 UGUJFPDNPOJLTJ-WPWMEQJKSA-N 444.560 5.083 30 10 IKEE C[C@H](c1ccccc1)c1nnc(S)n1/N=C/c1ccc(OCc2ccc(F)cc2)cc1 1874561273 KRVZITZOUWBGPJ-CIRUFVMISA-N 432.524 5.319 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2cc(C)ccc2C)cc1 1874579523 SOKHVUUUJBQBEW-ZRDIBKRKSA-N 433.935 6.179 30 10 IKEE Cc1cccc(COc2ccc(Br)cc2/C=C/C(=O)c2ccc(F)c(C)c2)c1 1874580553 TVVWZQQSDSNKBE-JXMROGBWSA-N 439.324 6.680 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCc2ccc(Cl)cc2Cl)c(OC)c1 1874587798 FOIZJVFDCXVJAG-XYOKQWHBSA-N 443.326 6.486 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OCC(=O)N[C@@H](C)c3ccccc3)c2)cc1 1874596484 PNVWRBDKBAMJBW-KZFLWGQDSA-N 429.516 5.238 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc([N+](=O)[O-])c1OCc1ccccc1 1874620332 UKMUMLDMRZOMFG-FMIVXFBMSA-N 435.451 5.916 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(OC)ccc2OC)cc(Br)c1OCC 1874620441 AMHJIMKVZGJHLP-VQHVLOKHSA-N 435.314 5.160 30 10 IKEE C=C(C)COc1c(Br)cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1OC 1874622714 RAWSWJCERHTUGU-KPKJPENVSA-N 443.381 6.606 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OCC)c(OCC)c2)cc1 1874624610 LXRZSIHSVDZJEH-LFIBNONCSA-N 444.999 7.383 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OCC(=O)Nc2cccc(C)c2)cc1 1874634830 VXXPAVZHNQNONF-FMIVXFBMSA-N 449.934 5.879 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)ccc1OCc1ccccc1C 1874634928 AIKPVKXUVBQABB-NTCAYCPXSA-N 428.572 7.085 30 10 IKEE Cc1cc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(Cl)cc3Cl)c2)ccc1F 1874695821 ULDQVUOWBQVFIE-UXBLZVDNSA-N 443.301 6.485 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2ccc(F)cc2F)cc1OC(=O)C(C)C 1874699963 VANGVPJJYWMHHU-QPJJXVBHSA-N 439.252 5.193 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 1874700282 KGGRWUHCILOMEY-LNKIKWGQSA-N 447.443 5.117 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)[C@H](C)c3ccccc3)c2)cc1 1874701887 MZIRWHNHIKYVQP-NXZBIGBUSA-N 444.527 6.089 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2)c(C)c1C 1874711492 ARMTXRNIJZBVDV-XYOKQWHBSA-N 445.471 5.644 30 10 IKEE O=C(Oc1cccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1)c1ccc(Cl)cc1 1874718151 BHQYXQGKZURDQY-NYYWCZLTSA-N 431.702 6.762 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)[C@@H](C)c1ccccc1 1875094940 QMCGBWFBPCMTBN-HVJHFUJKSA-N 431.444 5.209 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1OC 1875095667 AUYTZFYQJKIKKN-NBVRZTHBSA-N 444.571 7.401 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(Cl)c1OC(=O)c1cccc(C)c1 1875101556 VCFBEPXJMHXMKF-SDNWHVSQSA-N 448.946 6.725 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(OC)c1OC(=O)c1ccccc1C 1875102166 ZHORFJIPCPOYCT-SAPNQHFASA-N 440.539 6.410 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)CCCSC)c(OC)c2)cc1 1875103509 CFCFVCPTQHDQMV-FMIVXFBMSA-N 432.969 5.856 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3cncc(C)c3)c(OC)c2)cc1 1875103978 ZVIVGRAYSMHXGQ-JXMROGBWSA-N 435.907 5.730 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(C)c(C)c3)c(OC)c2)c1 1875104111 GXCDLJWLQQYOCK-FMIVXFBMSA-N 446.499 5.201 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-])c1ccccc1 1875105211 JHLZXBBMEFLYAO-UXBLZVDNSA-N 442.254 6.017 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC(=O)Cc1ccccc1F 1875145849 WIBQSNPGXPGJHT-ZRDIBKRKSA-N 448.490 5.586 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1 1875156007 GMONPYIIJHJDLA-LICLKQGHSA-N 430.500 5.943 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3)c([N+](=O)[O-])c2)c1C 1875169303 OXLPVVWCUNBRTR-VZUCSPMQSA-N 447.462 6.083 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)cc3OC)cc2)c1 1875179146 VNOYIDFVAVBGET-OQLLNIDSSA-N 446.499 5.147 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1 1875184818 RRQOYQKSIBNNDK-XDJHFCHBSA-N 448.562 7.561 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)ccc1OC(=O)c1ccco1 1875188308 SIVNYVPMHRLHEF-FNORWQNLSA-N 447.270 5.719 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)CCCSC)c(OC)c2)cc1C 1875191427 LVZPACKETXKQGN-CSKARUKUSA-N 428.550 5.265 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NC)c1sc(Cl)cc1I 1889573430 UFUXJSBMSKFAES-OAHLLOKOSA-N 433.742 5.040 30 10 IKEE O=C(Nc1cccc(-c2ccc(C(F)(F)F)cc2)c1)c1ccc(C(F)(F)F)cc1F 1890642649 VGCWQORFYFBCDH-UHFFFAOYSA-N 427.319 6.783 30 10 IKEE N#CCC1CCN(C(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)CC1 1891815814 XFNGXWCCDDZQOM-UHFFFAOYSA-N 432.527 5.730 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1)NCCC 1922069733 SUPXSVSHIAYXJQ-VXNXHJTFSA-N 430.633 5.459 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1930159639 UKDAEYTYQFBJDT-NTKDMRAZSA-N 429.561 5.011 30 10 IKEE CC[C@@H](NC(=O)OC(C)(C)C)[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccc(OC)cc1 1941062898 ZQZRYJLVEHJQGT-WZONZLPQSA-N 433.549 5.022 30 10 IKEE CCCCCCC[C@@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 1947479845 UCAIPTVMTWXQPZ-ZEQRLZLVSA-N 434.665 6.215 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@]2(C#N)N(C(=O)OC(C)(C)C)C2CCC2)C1 1950304513 HNHFLNCVTFLWEU-BJKOFHAPSA-N 433.593 5.240 30 10 IKEE CCCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCCN(C(=O)OC(C)(C)C)C12CCCCC2 2024621330 SSPOXKFLJSPNBY-DEOSSOPVSA-N 435.609 5.630 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCC[C@H]2CNC(=O)OC(C)(C)C)cc1 2032218372 XNMOEOXPDFXFSG-UQBPGWFLSA-N 443.588 5.714 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)C1(C#N)[C@H]2CC[C@H]1CN(Cc1ccccc1)C2 2037936000 NMAPUQZDWSZYKY-SFTDATJTSA-N 435.543 5.372 30 10 IKEE Clc1ccc(C=NN=CC2=C(N3CCOCC3)C(=Cc3ccccc3)CC2)c(Cl)c1 2040465624 YGXDHBMIXAEQOA-UHFFFAOYSA-N 440.374 5.862 30 10 IKEE CC(C)[C@@H](c1ccc(C2CC2)cc1)n1nc(C2CC2)c(/C=N/O)c1I 2079033917 DEZKTKNEJHCHRR-QKXOWGBTSA-N 449.336 5.296 30 10 IKEE CCCOc1ccc([C@H](n2nc(C)c(C#N)c2I)C(C)(C)C)cc1 2080117408 DLCCPYPRURWNEN-KRWDZBQOSA-N 437.325 5.092 30 10 IKEE CC(C)Oc1ccc([C@@H](C)n2nc(C3CCC3)c(C#N)c2I)cc1 2080119900 RYELKJIBMKXGKS-CYBMUJFWSA-N 435.309 5.023 30 10 IKEE CC(C)(C)[C@H]1CCSC(=NCc2scc(Br)c2Br)N1 2094176417 BFTKULVGYLLIKQ-SNVBAGLBSA-N 426.243 5.270 30 10 IKEE C=CCN(CC[C@@H](NCC)c1c(F)cc(C)cc1Br)C(=O)OC(C)(C)C 2116831030 SFOKZOSJQYPULF-QGZVFWFLSA-N 429.374 5.360 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)C(C)(C)[C@@H]1CCCCO1 2151437243 KJWAXVBQKRGCKN-ROUUACIJSA-N 437.378 5.678 30 10 IKEE CCCN(c1ccc(C#N)cc1Br)C1CCC(NC(=O)OC(C)(C)C)CC1 2174808666 QOTDPWAGWXTYPH-UHFFFAOYSA-N 436.394 5.373 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)[C@H]1C[C@@H]1C1CCOCC1 2200289571 BCUNIMQAEPIXIL-CEXWTWQISA-N 435.362 5.145 30 10 IKEE CCCCCCC[C@H](N)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229127666 UHPUJGJEZLLCDO-RBUKOAKNSA-N 427.427 5.573 30 10 IKEE CCCN[C@H](C#Cc1ccc(CC)cc1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2231226566 TVBOJWRIBGXQKU-MHZLTWQESA-N 448.651 6.186 30 10 IKEE C=CC1(C[C@@H](NC)[C@@H](Cc2cccc(Br)c2)NC(=O)OC(C)(C)C)CCC1 2237405372 QQYTVKQEOHDKFA-RTBURBONSA-N 437.422 5.219 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)c1cccc(OCc2ccccc2)c1 2261827587 PXIKVJHYJLCQKM-MHZLTWQESA-N 432.516 5.571 30 10 IKEE C=CCC(C)(C)CO[C@@](C)(C(=O)O)c1cc(Br)c(Br)s1 2281196037 VGDDCVJVCISGPC-CQSZACIVSA-N 426.170 5.192 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)C(C)(C)CN(C)C(=O)OC(C)(C)C 2296275444 ZGQNJQREWJOZGS-LJQANCHMSA-N 437.422 5.062 30 10 IKEE C=CCN(CC=C)C(=O)c1sc2nc(C)cc(C)c2c1NC(=O)C=Cc1ccccc1 2296742054 IVDILTODMYQTPC-UHFFFAOYSA-N 431.561 5.379 30 10 IKEE COc1ccc(N=C2SC(=Cc3c[nH]c4ccccc34)C(=O)N2C2CCCCC2)cc1 2297462771 HHSWCDIMZGCQOS-UHFFFAOYSA-N 431.561 6.113 30 10 IKEE N[C@@H](C#Cc1nccs1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2300728517 VGARTCOFODQEFR-QHCPKHFHSA-N 426.541 5.353 30 10 IKEE C=CC[C@](C)(CC)[C@@H](N)c1sc(Br)c(Br)c1Br 2304025633 UUFOXEVMRMBISW-JQWIXIFHSA-N 446.046 6.028 30 10 IKEE C=CC[C@@H](Oc1cc(Br)c(Cl)cc1N)[C@H]1CCN1C(=O)OC(C)(C)C 2314297402 HBDMSQPYGBGHIR-HUUCEWRRSA-N 431.758 5.018 30 10 IKEE CCOc1ccc2oc(C)c(C(=O)Oc3ccc(C(=O)C=Cc4ccccc4F)cc3)c2c1 2314429670 LUUXXBCDZCUNQJ-UHFFFAOYSA-N 444.458 6.394 30 10 IKEE O=C1C(=Cc2cccc3ccccc23)SC(=Nc2cccnc2Cl)N1c1ccccc1 2314540102 IVMRVTSJVHUEPY-UHFFFAOYSA-N 441.943 6.697 30 10 IKEE CCN1C(=O)C(=CC(C)=Cc2ccccc2)SC1=Nc1nc(-c2ccccc2)cs1 2314543369 BXBDGVLXUFCFRM-UHFFFAOYSA-N 431.586 6.380 30 10 IKEE Cc1c(OCc2c(F)c(F)c(F)c(F)c2F)ccc2c1OC(=Cc1ccncc1)C2=O 2321811098 YJJBCGSFYYVVET-UHFFFAOYSA-N 433.332 5.281 30 10 IKEE Cc1c(OC(=O)C(C)(C)C)ccc2c1OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O 2322648588 QLHOFBKKJDQSGN-UHFFFAOYSA-N 428.868 5.083 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(F)c(F)c2)c1OCCc1ccccc1 2322781551 IXTOILLKIWMLEI-UHFFFAOYSA-N 428.862 6.144 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCc3cccc(C)c3)ccc3ccccc23)c(OC)c1 2322904435 PYMUDXMYWINDPG-UHFFFAOYSA-N 438.523 6.641 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccccc1OCc1ccc(Cl)cc1 2322926721 OGIBVGLDQXDEIR-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2ccccc2OCc2ccc(Cl)cc2)cc1Cl 2322969296 RXFODKWJUXOIRQ-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCc3c(F)cccc3Cl)c2)cc1C 2323078565 LXZRADMZIFUJRY-UHFFFAOYSA-N 440.898 6.280 30 10 IKEE CCOC(=O)c1ccc(COc2cccc(C=CC(=O)c3cc(C(C)(C)C)ccc3C)c2)o1 2323303363 NXLISPPNGCZGFD-UHFFFAOYSA-N 446.543 6.537 30 10 IKEE CCCCCCCCCOc1ccc(C=NS(=O)(=O)c2ccccc2)cc1OCC 2323441914 VMGBCXVSCUHQCX-UHFFFAOYSA-N 431.598 6.023 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OC(=O)c4cc(Cl)ccc4Cl)c3C)C2=O)c1 2323584874 IZKZBAPVHFTWEF-UHFFFAOYSA-N 439.294 6.446 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCc3nc(O)c4ccccc4n3)c([N+](=O)[O-])c2)cc1 2323900786 QUVIARGHNRDYPA-UHFFFAOYSA-N 441.443 5.027 30 10 IKEE Cc1c(O[C@H](C)C(=O)OC(C)C)ccc2c1OC(=Cc1c(Cl)cccc1Cl)C2=O 2324305492 RPWGOVIQGCSJIT-CYBMUJFWSA-N 435.303 5.637 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OCc2cc(C)ccc2C)c([N+](=O)[O-])c1 2324372151 GYAUMHLSNVZEHT-UHFFFAOYSA-N 445.515 6.312 30 10 IKEE Cc1cccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccccc4Cl)ccc3C2=O)c1 2324388915 JAEJWWAGOIEOTE-MRXNPFEDSA-N 433.891 5.671 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 2324567846 RGJUEYSWDKGQIA-UHFFFAOYSA-N 431.488 6.004 30 10 IKEE CCCC[C@H](Oc1ccc2c(c1)OC(=Cc1ccc(Br)cc1)C2=O)C(=O)O 2324778046 PMUGWHXZJIUHBS-KRWDZBQOSA-N 431.282 5.088 30 10 IKEE COc1cccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccc(F)cc2)c1 2325471156 WKCLVWCFQRMXIL-UHFFFAOYSA-N 432.524 5.191 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccc(F)c(F)c3F)ccc2C1=O 2325532125 MTIPDOMXXRIOJR-UHFFFAOYSA-N 439.389 5.046 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc(C(=O)O)cc1 2325571675 GPHMMYFJPOLVFQ-UHFFFAOYSA-N 449.363 5.410 30 10 IKEE COc1cccc(C=Nn2c(C)nnc2SCc2ccc(Cl)c(Cl)c2)c1OC 2325642599 RBUQTEPKNZYPGY-UHFFFAOYSA-N 437.352 5.085 30 10 IKEE CCCCOc1ccc(C=Nn2cnnc2SCc2c(Cl)cccc2Cl)cc1 2325669273 JEVQZRSHQKCXSY-UHFFFAOYSA-N 435.380 5.938 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(OC)c(OC)c3)c2)cc1 2325705291 JKMLMNJJFCUDNR-UHFFFAOYSA-N 430.500 5.310 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1OC(=O)c1cnc(C)cn1 2325736759 XXRODANFGJJVLV-UHFFFAOYSA-N 443.286 5.216 30 10 IKEE Cc1c(OCC(=O)Nc2ccccc2)ccc2c1OC(=Cc1ccc(C(C)C)cc1)C2=O 2325740144 MYUUIZSJKVCWFF-UHFFFAOYSA-N 427.500 5.752 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccc(F)cc3)c2)cc1F 2325747791 KPCZBBHUHVDYFT-UHFFFAOYSA-N 438.426 5.026 30 10 IKEE Cc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc(C(C)C)cc3)c2)c(C)c1 2325750624 FTLMFGMJEZIMMJ-UHFFFAOYSA-N 428.528 6.307 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OC(=O)Cc1ccccc1Cl 2325764164 SPZAEMZSILPMTC-UHFFFAOYSA-N 448.946 6.318 30 10 IKEE C=CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccccc1C 2326136655 RLFIGXGPFNVVQE-UHFFFAOYSA-N 426.973 5.596 30 10 IKEE CC(C)(C)c1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccco2)cc1 2326341894 PZOYRTRBXZEGFU-UHFFFAOYSA-N 430.577 5.934 30 10 IKEE CCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1ccc(OC(C)(C)C)cc1 2326681298 UBHJZTSXLLVRMG-UHFFFAOYSA-N 433.581 5.454 30 10 IKEE COc1ccc(OCc2nnc(SCc3cccc(C)c3)n2N=Cc2ccccc2)cc1 2328356161 ZORQSCIPHJQOIW-UHFFFAOYSA-N 444.560 5.349 30 10 IKEE Cc1cccc(OCc2nnc(SCCc3ccccc3)n2N=Cc2ccncc2)c1C 2328849782 NGJUVNGXXRORDM-UHFFFAOYSA-N 443.576 5.086 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCOc3ccccc3)n2N=Cc2cccs2)c1 2329200173 HAQIGRKHGKKYME-UHFFFAOYSA-N 448.617 5.752 30 10 IKEE C=CCSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1cc(Cl)c(O)c(OC)c1 2329438621 DKMDUFRSELMXJX-UHFFFAOYSA-N 442.972 5.014 30 10 IKEE COC(=O)CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(C(C)(C)C)cc1 2329588113 GHOCROAWEYACKT-UHFFFAOYSA-N 442.972 5.043 30 10 IKEE Cc1ccc(CSc2nnc(CC3CCCCC3)n2N=Cc2ccc(O)cc2O)cc1 2330222088 YCKQSTBZRAXYKN-UHFFFAOYSA-N 436.581 5.295 30 10 IKEE Cc1ccccc1CSc1nnc(-c2cccs2)n1N=Cc1ccccc1OC(C)C 2330537455 PWJWSKQDHMQBBA-UHFFFAOYSA-N 448.617 6.277 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] 2330634741 BEJZWPZJBUTGOC-UHFFFAOYSA-N 426.425 5.275 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc(F)c2)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 2330687348 BZUBGIGSEVAWBJ-UHFFFAOYSA-N 445.446 5.728 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc(C=CC(=O)c2cccc(Br)c2)cc1 2330994274 GAGKDZADYBRPII-UHFFFAOYSA-N 435.317 5.883 30 10 IKEE Cc1ccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C2CCCC2)cc1 2331081780 XCBNORLMVMYMIV-UHFFFAOYSA-N 445.419 6.725 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)c1cnc(C)cn1 2331134617 ALHWCOIVIHHHEQ-UHFFFAOYSA-N 448.906 5.291 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3ccccc3Cl)nnc2C(F)(F)F)c1 2331141293 KIZDCEKBPAKGEF-UHFFFAOYSA-N 440.878 5.524 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)c1ccc(C)cc1 2331141835 QHTKAKLAJLFZIV-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3F)c(OC)c2)cc1 2331211271 AAPVLYRETVINTH-UHFFFAOYSA-N 434.463 5.277 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccs2)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 2331245448 MLCYYKVRCUVTKN-UHFFFAOYSA-N 448.283 6.078 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H]3CCCO3)c(Br)c2)cc1 2331495997 AZPSGGLSYWBCMJ-QFIPXVFZSA-N 443.337 5.553 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2cnc(C)cn2)cc1 2331633336 LSDZIZJPVGUMJG-UHFFFAOYSA-N 443.286 5.216 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C)cc(C)c3OC)cc2)cc1 2331659407 YDPDIYXAIHQALI-UHFFFAOYSA-N 430.500 5.826 30 10 IKEE Cc1ccc(CSc2nnc(C3CC3)n2N=Cc2ccc(Br)cc2)cc1 2331716842 AHBGBTPSPBBIJD-UHFFFAOYSA-N 427.371 5.401 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1cccc(Cl)c1 2331780282 UOLLBQKFQOMZJN-UHFFFAOYSA-N 434.919 6.389 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(Cl)c2)cc(OC)c1OC(=O)CCC 2331834881 PNRFMZFRMLKJMQ-UHFFFAOYSA-N 428.912 5.687 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)CCCOc3ccccc3)cc2)cc1C 2331835588 YRPXISAVDJASSE-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE CC1(C)OB(/C=C/c2ccc(NC[C@@]3(C)CCCN3Cc3ccccc3)nc2)OC1(C)C 2339583487 XHNNCEPOTOGLNE-ZRVKMLQASA-N 433.405 5.193 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)cc1 2339587912 AMQIYSJZYXKWTI-CCEZHUSRSA-N 438.333 5.866 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]2C[C@@H]1CNc1cc(Br)c(C#N)cc1F 2360229997 OEWXZVCPZWWYPD-WRSAYESZSA-N 438.341 5.050 30 10 IKEE C[C@@H](c1cccs1)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1 2377443547 CZPKYYKILLDEGU-AWEZNQCLSA-N 436.224 5.003 30 10 IKEE COc1ccc(/C=C2/C(=O)c3c(Oc4ccc(OC)cc4)cccc3[C@H]2c2ccccc2)cc1 3133476 KMGJEOONQRBYEI-QVOHLBINSA-N 448.518 6.908 30 10 IKEE C=CCOc1ccc(NC(=O)C2CCC(C(=O)Nc3ccc(OCC=C)cc3)CC2)cc1 14039722 BHKHGGCUBQTULQ-UHFFFAOYSA-N 434.536 5.200 30 10 IKEE CC(C)CCOc1ccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 14621435 YRPZCCBEPFNYBR-UHFFFAOYSA-N 438.578 5.379 30 10 IKEE Cn1c2ccccc2c2nnc(N/N=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nc21 15016401 QAGKAHXYKVJKQE-VULFUBBASA-N 430.556 5.263 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(C)c2)cc1 21218330 OANCJXDRCBTSQF-MNNSJKJDSA-N 438.571 6.763 30 10 IKEE Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(OC(C)C)cc2)cc1 21223126 KAFQVDBQWATHGR-MNNSJKJDSA-N 438.571 6.762 30 10 IKEE CCc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1 21251073 VZPYQSLCKSSJAP-HRFSGMKKSA-N 428.963 6.882 30 10 IKEE CCCC[C@H]1S/C(=N/N=C/c2ccc(OC)c(OC)c2)N(Cc2ccccc2C)C1=O 33684306 XUIROGDAGSHYTR-FTTRISJGSA-N 439.581 5.037 30 10 IKEE O=C(/C=C\c1ccc(-c2ccc(Br)cc2)o1)c1ccc(-c2ccc(F)cc2)o1 34838726 VVMMJVNRTLPNFU-LUAWRHEFSA-N 437.264 7.004 30 10 IKEE Cc1ccccc1NC(=O)c1cnn2c1NC1=C(C(=O)CCC1)[C@@H]2c1ccc(Cl)cc1 64775595 OZJPBDOYMACUAG-QFIPXVFZSA-N 432.911 5.119 30 10 IKEE CCOc1cc(-c2ccc(F)cc2)nc2ccc(NS(=O)(=O)c3cccc(C#N)c3)cc12 65114712 VRAGTKFIHVHMHM-UHFFFAOYSA-N 447.491 5.112 30 10 IKEE Fc1ccc(Cc2nnc(S)n2/N=C\c2ccc(OCCCc3ccccc3)cc2)cc1 169913630 HWQQGOGRBUFZHL-IMRQLAEWSA-N 446.551 5.191 30 10 IKEE CCOc1ccc(/C=N\Nc2nc(-c3ccc(Cl)cc3)cs2)cc1Br 169941802 DIMDTQXAUWBXOZ-FBHDLOMBSA-N 436.762 6.071 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(O)c(Cl)c1)c1cccc(Cl)c1 170043936 VOPIBEPTYNSXLU-IBGZPJMESA-N 432.303 5.220 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2cccc(O)c2)s1 170079659 FMWKKKTZCBVRQC-OAQYLSRUSA-N 448.544 5.372 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(F)ccc3OC)[C@@H]2c2cccs2)cc1 170157139 ZGHGTPMOXPJJSD-NRFANRHFSA-N 437.492 5.241 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccccn2)cc1C 170172104 BYAZXEDGPFHTGI-XMMPIXPASA-N 442.515 5.269 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cccnc1 170194297 XYXXCQJNIPKEOH-QHCPKHFHSA-N 432.564 5.599 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@H]1c1ccc(O)c(Cl)c1 170219744 JLENYTNSRRJTOL-OAQYLSRUSA-N 443.927 5.213 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(Cl)ccc3OC)[C@H]2c2ccccc2)c1 170221274 CEGNFLAFWCCEEM-JOCHJYFZSA-N 449.890 5.140 30 10 IKEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(Cl)cc4)[C@@H]3c3ccccc3)ccc2O1 170226655 CRIVYVLEVDKMNF-NPMXOYFQSA-N 445.902 5.446 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(CC)cc1 170268056 LMXRTAPBCJMGDQ-XMMPIXPASA-N 435.564 5.581 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2C)ccc1OC(C)C 170275518 SATNZARBNUDROK-VWLOTQADSA-N 447.575 6.002 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(Cl)c3)[C@@H]2c2ccco2)c1C 170285984 HRRRRSIFAGRDJX-FQEVSTJZSA-N 442.298 5.986 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2cccc(OC(C)C)c2)c1 170347996 GEQAXRZQJNLNPS-HSZRJFAPSA-N 431.488 5.467 30 10 IKEE CCCCCCC[C@H](NCC)c1cc(Br)ccc1I 232930561 DTMFXSHAHCQTBI-INIZCTEOSA-N 438.191 6.065 30 10 IKEE COc1cc(/C=C2\SC(=Nc3ccccc3)N(c3ccccc3)C2=O)ccc1OC(C)C 252628815 SYKIJTGLLQMAQW-SIFMURAYSA-N 444.556 6.291 30 10 IKEE Cc1ccc(CN2C(=O)C(=NNc3oc(-c4ccc(C)cc4)nc3C#N)c3ccccc32)cc1 254817101 QIWVQGIKMNMIQK-UHFFFAOYSA-N 447.498 5.193 30 10 IKEE C=C1C[C@@]23CC[C@H]4[C@@](C)(C(=O)O)[C@@H](OC(=O)/C=C/c5ccccc5)CC[C@]4(C)[C@@H]2CC[C@H]1C3 257386684 BJQOPHXIKHSJOP-YHNWOUDHSA-N 448.603 6.275 30 10 IKEE biogenic C#C[C@@H](Nc1c(Br)cc(Br)cc1Br)c1ccccc1 378752258 QPXWDPHQIMGSLF-CQSZACIVSA-N 443.964 5.761 30 10 IKEE C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)OC)[C@@H]1CCc1ccoc1CNCc1ccccc1 504650351 ZISVYIIZULIHFK-MVWACUTHSA-N 449.635 6.454 30 10 IKEE biogenic COc1ccc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1OC 526487690 FUZHRNUZSOSLPD-HSZRJFAPSA-N 446.890 5.286 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@@H]2c2cccc(C(F)(F)F)c2)cc1 526490396 WDFYSWIFGFUQNU-NRFANRHFSA-N 438.380 5.773 30 10 IKEE N#Cc1ccccc1NC1=C(Sc2ccccc2)C(=O)N(c2ccc(F)c(Cl)c2)C1=O 526657913 MXBNONDEVGYIGJ-UHFFFAOYSA-N 449.894 5.340 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2C)c1 526773519 SAHRQHOCFAHLRK-HSZRJFAPSA-N 447.918 5.830 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1cccc(OCC)c1O 526807181 MHEUANBPNILOLD-OYKKKHCWSA-N 444.988 5.553 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1cccc(OCC)c1 526821654 DIQVQYMNKNJHAH-IMRQLAEWSA-N 444.604 6.347 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)NC2CCN(C(=O)N[C@H](C)c3ccccc3)CC2)c1 585910811 GOURUFYDTALDAE-HXUWFJFHSA-N 448.611 5.189 30 10 IKEE CCc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2ccc(N3CCCC3)cc2)cc1 586239301 BFOBVMVMDSGKJY-UHFFFAOYSA-N 445.588 5.116 30 10 IKEE C=CCCCCC[C@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 705475184 JRMXGJNKEIPDHP-XWGVYQGASA-N 432.649 5.990 30 10 IKEE CCCCCCC[C@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 707832879 CDJPKAPCJKEIAF-XWGVYQGASA-N 434.665 6.214 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@H](C#N)c1cccc(OCc2ccccc2)c1 710813460 JYNXAUJBPXABSS-XMMPIXPASA-N 432.495 6.411 30 10 IKEE CN1C(=O)C[C@H](C(=O)Nc2ccc(Cl)cc2)SC1=Nc1ccc(Cl)c(Cl)c1 725391055 MTQVZOZAOVUUOH-OAHLLOKOSA-N 442.755 5.237 30 10 IKEE CCC(=NNc1nc(SCC(=O)Nc2ccc([C@H](C)CC)cc2)n[nH]1)c1ccccc1 1084420422 ZWGKKONVJOMBIT-MRXNPFEDSA-N 436.585 5.275 30 10 IKEE N#CN=C(SCCC(F)=C(F)F)SCCC(C#N)(c1ccccc1)c1ccccc1 1088688125 NUHGXJCOCIPCJQ-UHFFFAOYSA-N 445.535 6.658 30 10 IKEE CCCCCN1/C(=N/c2ccc(C)cc2)S[CH][C@H]1c1ccc(S(=O)(=O)N(C)C)cc1 1614596279 OFLAQMYUYDZJGM-ACOCPHQRSA-N 444.646 5.375 30 10 IKEE FC(F)(F)c1ccc(Br)c([C@@H]2CN(Cc3ccccc3)C[C@H]2CS)c1 1614692105 HLUDCECVAIKZBL-WMLDXEAASA-N 430.333 5.613 30 10 IKEE C=CCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)c(C)s1)Cc1cccc(C#N)c1 1644456007 CHCCEZAKQSIXDU-UHFFFAOYSA-N 436.968 5.270 30 10 IKEE COc1ccccc1C=NN=C1S/C(=C/C=C/c2ccccc2)C(=O)N1Cc1ccco1 1772757423 PCVGKOUSEUWJMM-DAKUNLBMSA-N 443.528 5.351 30 10 IKEE C=CCN1C(=O)/C(=C\c2c(Cl)cccc2Cl)SC1=Nc1ccccc1C(=O)O 1772762380 ISEPCNKOMPXCLK-DJCXZETLSA-N 433.316 5.482 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc3c(OC(=O)c4ccnc(Cl)c4)cccc23)c1 1858930232 YPWSAPYZBLOFLA-UHFFFAOYSA-N 427.847 5.231 30 10 IKEE CCc1nc2ccc(Br)cc2c(C(=O)Nc2sc(C)c(C)c2C#N)c1C 1859647551 VXAWIECLYUIHQH-UHFFFAOYSA-N 428.355 5.670 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c2)c1 1860133799 TUVQYBWFMDFIEP-UHFFFAOYSA-N 440.286 5.135 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1cccc2ccccc12 1861722122 JAZJREXEDTVZNY-AREMUKBSSA-N 446.591 5.363 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1Cl 1862431685 MIASCAJDCIKQTJ-LJQANCHMSA-N 444.339 5.833 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCC2)c1 1862449433 LEZIQPDPXVCPBL-QFIPXVFZSA-N 439.939 5.650 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(F)cc1 1862501486 DBBOBTUMZNLUKR-HSZRJFAPSA-N 441.518 6.212 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(Cl)c1 1862584089 PSHJUWXKAIYUPS-SFHVURJKSA-N 438.738 5.881 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862679901 PSYWDPNDUQYJGJ-KSFYIVLOSA-N 425.500 5.381 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc(OCCC)c1 1862682920 SPHIAZYYUXFNLP-QFIPXVFZSA-N 425.500 5.383 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(N(C)C)cc1 1862714511 KTTBPHYTSPYDBO-XDHUDOTRSA-N 428.532 5.283 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2CC)cc1 1862726176 ADRVWCHQUMPQBZ-DEOSSOPVSA-N 427.500 5.351 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(Cl)cc2)C1=O 1862795332 IMHJNSURMWIUNJ-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 1862888146 UEKPZFMFZKVWGO-UHFFFAOYSA-N 447.416 5.282 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccco2)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863632675 DTRMTFGASVFSMU-UHFFFAOYSA-N 449.378 5.817 30 10 IKEE N#Cc1cc(Br)c(NC(=O)c2cc3ccccc3cc2O)c(Br)c1 1866003948 DYLQCUXWUBQYNP-UHFFFAOYSA-N 446.098 5.194 30 10 IKEE CCCC[C@H](NC(=O)C[C@H](c1ccc(Cl)cc1)C(C)C)C(=O)Nc1ccccc1C#N 1866760644 GODRVUWYIWBMOW-GMAHTHKFSA-N 439.987 5.655 30 10 IKEE CCCc1nc(Nc2ccc(C#N)cc2)cc(N2CCC(c3nc(C)c(C)s3)CC2)n1 1868400741 CIAWHYDHOZVCTD-UHFFFAOYSA-N 432.597 5.502 30 10 IKEE Cc1cc(-n2nnc(C#N)c2NC(=O)c2cccc(Oc3ccccc3)c2)ccc1Cl 1870153583 ARZOAGXEXOSUBM-UHFFFAOYSA-N 429.867 5.145 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCc2ccccc2)cn1CCC1=CCCCC1 1870692756 CYOZIFDZMPAEBX-UHFFFAOYSA-N 432.608 5.534 30 10 IKEE C=CCOc1cn(C[C@H](c2ccccc2)N2CCCC2)c(CNc2ccccc2C)cc1=O 1870811500 AEUZBINQTMMSDZ-AREMUKBSSA-N 443.591 5.171 30 10 IKEE C=CCOc1cn(C[C@@H](c2ccccc2)N2CCCC2)c(CNc2ccc(C)cc2)cc1=O 1870811683 FIAANDXQVYXSMJ-SANMLTNESA-N 443.591 5.171 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)cc2)c(=O)cc1CNc1cc(Cl)ccc1C 1870861830 WFLVJINUHHNSPU-UHFFFAOYSA-N 429.347 5.841 30 10 IKEE CCCCCCCCCCN=c1nc2c(cnn2C)c(Nc2cc(Cl)ccc2OC)[nH]1 1871299048 PLDDSSVYKFXAJI-UHFFFAOYSA-N 445.011 5.743 30 10 IKEE CCCCCCCCCCN=c1nc2c(cnn2C)c(Nc2ccc(Cl)cc2C)[nH]1 1871299255 VEYGHLKFXKJNDM-UHFFFAOYSA-N 429.012 6.043 30 10 IKEE COc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN([C@@H]3CCCC[C@@H]3C)C4)C2=O)c(OC)c1 1871355692 GTVRCVOSKIMBGP-XSOINATNSA-N 449.547 5.359 30 10 IKEE Cc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc2c1C(=O)/C(=C/C=C/c1ccccc1)O2 1871370973 KVXUGTZSBPMACR-IITPSFRQSA-N 427.412 5.295 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)c4cccc5ccccc45)ccc3C2=O)cc1 1871377798 DTWQRDCNXHBULA-QQXSKIMKSA-N 436.463 6.074 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(F)c2)C3=O)c1 1871388756 BYNUHQMCVLOJMQ-UUYOSTAYSA-N 446.430 5.285 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(O[C@H](C)C(=O)Nc4ccc(F)cc4)c3C)C2=O)cc1 1871400770 KLUXRYSWBBWQNU-NQRZERFFSA-N 431.463 5.465 30 10 IKEE Cc1ccc(OCCCCOc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871405453 RRPAVEKTJXLPAE-XYGWBWBKSA-N 434.919 6.503 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccccc2)C3=O)c(C)c1 1871413190 BNABSEWKWCJHJY-YPFLROGLSA-N 427.500 5.634 30 10 IKEE Cc1cc(OCCOc2ccc(C(C)(C)C)cc2)cc2c1C(=O)/C(=C/c1ccccc1F)O2 1871414445 HLYGJRSUEZUWCH-XYGWBWBKSA-N 446.518 6.506 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O)Nc1ccc(C(F)(F)F)cc1 1871443208 UMALVEFLMOTOGY-MTJSOVHGSA-N 439.389 5.339 30 10 IKEE C=CCN([C@H](CCC)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1cc(C)ccc1C 1872496047 AYCUVUNEVROKQH-OAQYLSRUSA-N 449.016 5.249 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1 1872497587 DRIGPONLRNYQFP-OAQYLSRUSA-N 434.989 5.023 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)n2)cc1C 1872765808 XOIPMTINPQCMET-UTKZUKDTSA-N 434.561 5.894 30 10 IKEE COc1cc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(C)cc3)n2)c(OC)cc1Cl 1872782105 DHKNBNXCMFTVBM-KBOKABMXSA-N 438.936 5.679 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(Br)c3)n2)cc1Cl 1872785111 FWVFKKSNHNUXCC-CQSZACIVSA-N 447.741 5.725 30 10 IKEE Cc1cc(C)c(-c2csc([C@H](C#N)C(=O)COc3cc(Cl)ccc3Cl)n2)c(C)c1 1872786277 GQWHFHMCODSJIX-MRXNPFEDSA-N 445.371 6.297 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCc2ccccc2)=C(c2cccc(OC)c2)C1=O 1873049009 CJXPMUDIVLZQOY-UHFFFAOYSA-N 448.607 5.358 30 10 IKEE NC1=C(c2nc3ccccc3s2)C(=O)CN1c1ccc(OCc2ccc(Cl)cc2)cc1 1873531243 ILLIOORLNKJQIY-UHFFFAOYSA-N 447.947 5.245 30 10 IKEE C=CCSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1ccc(O)cc1 1874206754 RXNDGDXJNZBPNH-SSDVNMTOSA-N 435.336 5.030 30 10 IKEE CSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1ccccc1OC(C)C 1874208999 UKLSZGJPRDHXKT-LPYMAVHISA-N 445.386 5.023 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1sccc1C 1874212944 MWIWCUKWNGEVGE-YDZHTSKRSA-N 447.029 5.863 30 10 IKEE C=CCSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1ccccc1Cl 1874259113 OXBJNTXKDYCKOA-BUVRLJJBSA-N 426.973 5.623 30 10 IKEE CCCCC1CCC(c2nnc(SCC)n2/N=C/c2ccc(OCCC)cc2)CC1 1874285180 SNDGSYMMVYIVHN-XIEYBQDHSA-N 428.646 6.525 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1cc(Cl)ccc1O 1874327637 VJDFUUKLEAOUOU-BHGWPJFGSA-N 442.972 5.383 30 10 IKEE CSc1nnc(COCc2ccccc2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874352646 VFKLHZHPBLCATB-WGOQTCKBSA-N 444.560 5.178 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3F)n2/N=C/c2cccc(O)c2)c1 1874374738 LSPRFOKURANUGH-CVKSISIWSA-N 432.524 5.197 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3cccs3)n2/N=C/c2cccc(O)c2)c1 1874412404 MUNJRKKWDOUWAK-ZVHZXABRSA-N 434.590 5.427 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2cccc(Cl)c2)nnc1-c1cccs1 1874424692 YDWXHDUGOGNUHI-YDZHTSKRSA-N 440.981 5.843 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3ccccc3C)nnc2[C@@H]2CCCO2)cc1 1874443609 GWUGLKZIOZZUKD-LWROZRRASA-N 436.581 5.401 30 10 IKEE Cn1cc(/C=N/n2c(SCc3cccc(F)c3)nnc2C2CCCC2)c2ccccc21 1874454126 BMAQOAXALACBRC-VULFUBBASA-N 433.556 5.741 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccco3)n2/N=C/c2cccc(Cl)c2)cc1 1874467522 NCKXLDXRDNRXKM-FSJBWODESA-N 429.332 6.019 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(CC)nnc2SCc2cccc(F)c2)cc1 1874524401 MDWGHXFBIXUQSN-PCLIKHOPSA-N 426.561 5.723 30 10 IKEE CCc1nnc(SCc2cccc(C)c2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874524659 ZHHJEXWUDKUZAQ-WPWMEQJKSA-N 442.588 5.902 30 10 IKEE C=C(C)CSc1nnc(C)n1/N=C/c1ccc(OCc2ccc(C)cc2)c(OCC)c1 1874532701 WNWZKWRBDIFOHT-AFUMVMLFSA-N 436.581 5.423 30 10 IKEE Sc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc(Cl)cc1Cl 1874567653 JMZMYBFPIIUTAZ-ZMOGYAJESA-N 427.360 5.694 30 10 IKEE O=C(/C=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)c1cccc(Cl)c1 1874577556 ULNPBKLHPXTAEU-BUHFOSPRSA-N 443.886 6.877 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCc3ccc(C)cc3)ccc3ccccc23)cc1F 1874582431 NOGHEKZWPQDQOZ-BUHFOSPRSA-N 426.487 6.771 30 10 IKEE O=C(/C=C/c1cc(Br)ccc1OCc1cccc(F)c1)c1ccc(F)c(F)c1 1874585310 RPFKZXQDTOHIJG-VMPITWQZSA-N 447.250 6.342 30 10 IKEE C=C(C)COc1c(/C=C/C(=O)c2ccc(OCC)cc2OCC)cc(Cl)cc1OC 1874589271 CHXQXXYPTBXMFM-DHZHZOJOSA-N 430.928 5.997 30 10 IKEE O=C(COc1cccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c1)Nc1ccccc1F 1874593790 BWAULANYLQBRHC-NTCAYCPXSA-N 429.491 5.618 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OCC(=O)Nc1cccc(C)c1 1874598573 SXQSCGCJTSDHEK-UXBLZVDNSA-N 437.442 5.195 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(C)c3)c(Br)c2)cc1 1874605334 WZSPGRWRJISWQT-UKTHLTGXSA-N 435.361 6.795 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 1874613879 RXWVZMALIDJUQB-NTCAYCPXSA-N 429.472 5.807 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 1874614159 IBWZTLHAKRFTSQ-LFYBBSHMSA-N 449.934 5.879 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccccc3)cc2[N+](=O)[O-])c1C 1874614742 QLLSWIPTPWRHLJ-ACCUITESSA-N 430.460 5.125 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OCC(=O)Nc1nccs1 1874616691 NZDHBAVHEHMSCT-DHZHZOJOSA-N 448.544 5.102 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OCc1ccc(F)cc1 1874626274 VGZSCQDXWPGPDX-MDWZMJQESA-N 448.534 6.616 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2)cc1OC(=O)c1ccc(C(F)(F)F)cc1 1874700251 ITXLKQYSTYSVNK-NTUHNPAUSA-N 426.390 5.829 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)[C@@H](C)c3ccccc3)c2)c1 1874706454 IXRVQELYPAARGW-HGZMWJMZSA-N 446.499 5.318 30 10 IKEE O=C(Cc1ccccc1Cl)Oc1cccc(/C=C/C(=O)c2cccc3ccccc23)c1 1874708038 JOZQVYSHKJAXRG-FOCLMDBBSA-N 426.899 6.537 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)CSc3ccccc3)c(Cl)c2)cc1 1875100067 MHKQAGYVSYSLCV-GXDHUFHOSA-N 436.960 6.496 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(Oc4ccccc4)c3)cc2)cc1 1875100096 NRUSHOUKNRHJJZ-HMMYKYKNSA-N 448.518 7.157 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3)c(Cl)c2)cc1 1875106915 QYERHHMYNFJBEZ-FOWTUZBSSA-N 432.947 6.727 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc1[N+](=O)[O-] 1875108252 GLVQSIOUZDFCLG-FMIVXFBMSA-N 425.481 5.684 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)c1ccc(F)cc1 1875157525 BVNMMAJRUXXGKV-BIIKFXOESA-N 428.818 5.742 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)COc2c(C)cccc2C)cc1 1875169939 VDQJPYMJOQPTKS-SDNWHVSQSA-N 444.527 5.809 30 10 IKEE COc1cc(C(=O)/C=C/c2ccc(OC(=O)c3cncc(C)c3)cc2)c(OC)cc1Cl 1875172582 CLMNZJIBLOKDDD-RMKNXTFCSA-N 437.879 5.176 30 10 IKEE CCCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OCC 1875176948 SEKILXVKEZQWIG-PKNBQFBNSA-N 445.353 6.066 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2cc(C)ccc2C)cc1 1875179744 YGKBBHWIAZNQND-FMIVXFBMSA-N 448.946 6.318 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(Cl)cc(C)c3OC)cc2)c1 1875182159 PFYDTHZZQZAOHH-FMIVXFBMSA-N 436.891 5.781 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)CCCc3ccc(C(C)C)cc3)ccc21 1890718773 OKVSHDJBKIKALA-UHFFFAOYSA-N 434.580 5.709 30 10 IKEE N#Cc1ccnc(OC[C@H]2CCCN(C(=O)[C@@H](Sc3ccccc3)c3ccccc3)C2)c1 1891478388 OAJQYWJAVJXVCB-OFVILXPXSA-N 443.572 5.104 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)C[C@@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1944373801 BGVNWDKUUVGAGN-MFEFFIJZSA-N 449.617 5.413 30 10 IKEE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccccc1C#N 1984694168 GABNUVDBIHCHPW-RUZDIDTESA-N 439.515 5.060 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@]2(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 2000547954 LDBIYQPGCSLNAK-MERUMYRGSA-N 447.601 5.071 30 10 IKEE CC(C)(C)OC(=O)NCCC1CC(C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 2007658238 XYXWEAQYUIOTDG-UHFFFAOYSA-N 433.524 5.154 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c1ccc(F)cc1)C2 2041700973 BVNYPBFHOJAPCO-NHKMSHSESA-N 445.535 5.391 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)c(C)c(Br)c1)NC 2048642619 KMNHEONIWLJBDT-DLBZAZTESA-N 431.802 5.011 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)c(C)c(Br)c1)NCC 2063098873 KPXBIJCLRGHVIS-IAGOWNOFSA-N 431.802 5.011 30 10 IKEE O=C(C1=COCCC1)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071356051 JXEUISRQMRYRCU-SANMLTNESA-N 430.500 5.141 30 10 IKEE CC[C@H](c1ccc(C)cc1F)n1nc(C(C)(C)C)c(/C=N/O)c1I 2079112726 YZAJTAFBLFOOPG-SBUZPKSBSA-N 443.304 5.040 30 10 IKEE Cc1ccc([C@@H](n2nc(C3(C)CC3)c(C#N)c2I)C2(C)CC2)cc1C 2079138648 XZVHUKYVMIONHG-GOSISDBHSA-N 445.348 5.417 30 10 IKEE CC(C)[C@H](c1ccc(C2CCC2)cc1)n1nc(C(C)(C)C)c(C=NO)c1Br 2079988487 ZKUOBAFQVZMORM-LJQANCHMSA-N 432.406 6.264 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Br)c1C)NCCC 2087429121 HWXJPVVZXCJHHA-RBUKOAKNSA-N 425.411 5.138 30 10 IKEE CC1(C)OB(c2ccoc2CNc2c(Cl)cc(Br)cc2Cl)OC1(C)C 2101327090 BMOBSFDBKJSAQI-UHFFFAOYSA-N 446.965 5.260 30 10 IKEE CCCCC#CC[C@@H](NCC)c1ccc(Br)cc1I 2142289912 VYIQJNIPDNRKAI-MRXNPFEDSA-N 434.159 5.288 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCCC[C@H]1C(F)(F)F 2144653922 JPOPDOBIFXTCHP-CRAIPNDOSA-N 447.295 6.205 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@](C)(C#N)C1C[C@H]2[C@H](C1)C2(C)C 2149729283 OOXIWCPONAQCEQ-NPPFBWRTSA-N 433.390 6.155 30 10 IKEE N#C[C@H](C(=O)c1csc(Br)c1Br)c1c(F)cccc1Cl 2150363519 AHOMOWWJNIAPAV-LURJTMIESA-N 437.515 5.556 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@]2(CNc3cccc(Br)c3C#N)CCC[C@H]12 2165304203 NIQZKOTYSPFERS-GHTZIAJQSA-N 434.378 5.302 30 10 IKEE CCCN(c1ccc(C#N)c(Br)c1F)C1CCN(C(=O)OC(C)(C)C)CC1 2174812824 PDVPRDWQOCJMIE-UHFFFAOYSA-N 440.357 5.076 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@](C)(CNC(=O)OC(C)(C)C)C(F)F)NCCC 2216261734 JTHIGMXTNASOIG-GBXCKJPGSA-N 440.575 5.314 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@@H](O)C#Cc2ccccc2Br)cc1Cl 2227483744 JATHWEFEPNNXAE-SFHVURJKSA-N 436.733 5.535 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CC[C@H](C1)[C@@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2258100337 HFVFBHZUPXQLOR-DXSJEHQWSA-N 447.620 5.532 30 10 IKEE C=CCCC1([C@H](O)c2cccc(Cl)c2Br)CN(C(=O)OC(C)(C)C)C1 2259404683 JRXOHRRQOYMYKQ-MRXNPFEDSA-N 430.770 5.339 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)c1sc(Cl)cc1Br 2262199444 IJKZDJLOQYAFHQ-KRWDZBQOSA-N 445.762 5.469 30 10 IKEE CC(C)(C)OC(=O)Nc1cc([C@H](O)C#Cc2cccc(Br)c2)ccc1Cl 2278737785 OMGOCRLOLZCSCS-GOSISDBHSA-N 436.733 5.535 30 10 IKEE CC(C)N1C(=O)SC(=Cc2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)C1=O 2294516813 IJFTXIIWAWJZNS-UHFFFAOYSA-N 447.343 5.889 30 10 IKEE CCCCCCCCCCOc1ccc(C2=NC(=Cc3ccc4c(c3)OCO4)C(=O)O2)cc1 2297297443 AMRQYSSERUQRDI-UHFFFAOYSA-N 449.547 6.279 30 10 IKEE CCCN[C@@H](C#CC1(SC)CCC1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2299653308 FGJPXSDILZQQQQ-HSZRJFAPSA-N 444.685 5.861 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C)NCC 2304000001 FAYVSOIVBAZQAM-VABKMULXSA-N 430.633 5.457 30 10 IKEE CCOc1ccc(C=C2SC(=Nc3cccnc3Cl)N(C3CCCCC3)C2=O)cc1 2314540127 JNQVHFCGGXTCSI-UHFFFAOYSA-N 441.984 6.070 30 10 IKEE Cc1cc(OCc2c(F)cccc2Cl)cc2c1C(=O)C(=Cc1ccc(N(C)C)cc1)O2 2321805159 VKFBOBQMVIZGPT-UHFFFAOYSA-N 437.898 6.049 30 10 IKEE Cc1ccc(C=C2Oc3c(cc4c(c3C)OCN(CCc3ccc(Cl)cc3)C4)C2=O)o1 2322286763 YTZNPORZZPFZDW-UHFFFAOYSA-N 435.907 5.561 30 10 IKEE COc1ccccc1C=C1Oc2c(cc3c(c2C)OCN(CCc2ccc(C)cc2)C3)C1=O 2322433394 QTTSWAIBNHGHJX-UHFFFAOYSA-N 441.527 5.323 30 10 IKEE C=C(C)COc1ccc(Br)cc1C=CC(=O)c1ccc(OCC)cc1OCC 2322914325 BEVCRFAZTOEDIK-UHFFFAOYSA-N 445.353 6.098 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1C 2322991954 OAWCBRLHGQHOSG-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1ccccc1C 2323379470 BELLVVKWQIVQQE-UHFFFAOYSA-N 443.499 6.115 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccco2)C3=O)c(OCC)c1 2323784617 VHSNOKLCNZGVCL-UHFFFAOYSA-N 434.444 5.221 30 10 IKEE CCOc1cc(C=NNC(=S)NC2CCCCC2)ccc1OCc1cc(C)ccc1C 2323854263 BOTTWDUETRJDJP-UHFFFAOYSA-N 439.625 5.412 30 10 IKEE CCCOc1c(Br)cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1OC 2323889947 LJASTTOEYSCKSS-UHFFFAOYSA-N 444.152 6.449 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)N(CC)CC)c(Cl)c2)cc1 2323921736 SXZNXCBYIZGWHY-UHFFFAOYSA-N 429.944 5.272 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OCC(=O)Nc1ccccc1 2323943742 YJKKXEIEHRMSOU-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OCc3ccccc3F)c(Br)c2)c1 2323943936 AHQYYWZRWCPXBJ-UHFFFAOYSA-N 439.324 6.680 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3C)cc2)cc1 2324208834 UYUHICPQKJPPMW-UHFFFAOYSA-N 442.599 7.819 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(F)c(F)c3)cc2Cl)c1 2324241532 CUJRNNZDKXFQHE-UHFFFAOYSA-N 441.861 5.840 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OCc1ccccc1C 2324380791 RKHGPBDQEVBPNS-UHFFFAOYSA-N 430.544 6.494 30 10 IKEE COc1ccc(C=C(C(=O)[C@@H](C#N)c2nc(C(C)(C)C)cs2)c2ccccc2)cc1OC 2324515610 DGQOVSXCINJTDG-HXUWFJFHSA-N 446.572 5.875 30 10 IKEE Cc1ccc(OCCCOc2ccc3c(c2C)OC(=Cc2ccc4c(c2)OCO4)C3=O)cc1 2324545258 FZPDWRCYUOSNKZ-UHFFFAOYSA-N 444.483 5.496 30 10 IKEE Cc1cc(C)c(-c2csc([C@H](C#N)C(=O)C=Cc3ccc4c(c3)OCCO4)n2)c(C)c1 2324787825 HYTGDYUSTGZOJZ-LJQANCHMSA-N 430.529 5.396 30 10 IKEE CCCOc1ccccc1C=Nn1c(Cc2ccccc2)nnc1SCc1ccccc1 2325480138 FWICPDVWJPJFBS-UHFFFAOYSA-N 442.588 5.832 30 10 IKEE Cc1cc(OCC(=O)Nc2nc3ccccc3s2)cc2c1C(=O)C(=Cc1ccccc1)O2 2325590066 PNHMCZVNAPBCPA-UHFFFAOYSA-N 442.496 5.238 30 10 IKEE O=C(COc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O)Nc1cccc(Cl)c1 2325717107 WTOFXMCKSDMYFD-UHFFFAOYSA-N 431.875 5.530 30 10 IKEE COc1ccc(C=CC(=O)c2cccc3ccccc23)cc1OC(=O)CC1CCCCC1 2325748958 XLPIPHLGFZZKFY-UHFFFAOYSA-N 428.528 6.620 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1OC(=O)Cc1ccc(F)cc1F 2325752881 JNGMSTVTPZHIQH-UHFFFAOYSA-N 444.380 5.296 30 10 IKEE CCCc1nnc(SCc2ccc(Br)cc2)n1N=Cc1ccccc1C 2326620338 CBAKDQFKXZUGLF-UHFFFAOYSA-N 429.387 5.476 30 10 IKEE C=CCSc1nnc(CCc2ccccc2Cl)n1N=Cc1cccc(OCC)c1 2327975015 SOXCYEXMCLGZFO-UHFFFAOYSA-N 426.973 5.276 30 10 IKEE CCCSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1ccc(C(F)(F)F)cc1 2328798535 GHHGFJFOQJRGGS-UHFFFAOYSA-N 448.514 5.877 30 10 IKEE C=CCSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2329588359 WRDLWKNJYSNHGC-UHFFFAOYSA-N 434.308 5.320 30 10 IKEE C(=Nn1c(CCc2cccs2)nnc1SCc1ccccc1)c1c[nH]c2ccccc12 2329663811 VOLKBWYQIHDOLA-UHFFFAOYSA-N 443.601 5.781 30 10 IKEE C=CCSc1nnc(COc2ccccc2)n1N=Cc1c(OC)ccc2ccccc12 2329920166 LLNXFWUHTKMBEJ-UHFFFAOYSA-N 430.533 5.179 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3ccccc3)nnc2[C@@H](C)c2ccccc2)c1 2330103854 NNVJIORBLBUJNJ-FQEVSTJZSA-N 442.588 6.003 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2)n1N=Cc1ccc(Cl)cc1 2330108552 TVWUDKRFFFFGIN-GOSISDBHSA-N 432.980 6.258 30 10 IKEE C=C(C)CSc1nnc(-c2cccs2)n1N=Cc1cccc(OC)c1OCCC 2330579320 TXENKXMBVJCZRW-UHFFFAOYSA-N 428.583 5.354 30 10 IKEE Oc1cccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2-c2cccs2)c1 2330600557 XURGGAPLPQRHHF-UHFFFAOYSA-N 426.954 5.540 30 10 IKEE Cc1ccsc1C=Nn1c(SCc2c(F)cccc2Cl)nnc1-c1cccs1 2330621500 RNNDYTLOSTXKMF-UHFFFAOYSA-N 449.001 6.344 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2sccc2C)cc1 2330647915 LGLBAMDWDBVCIQ-UHFFFAOYSA-N 447.589 5.236 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)c(C)c3)c(Cl)c2)cc1C 2330860241 FTTNKFDCWQVUKR-UHFFFAOYSA-N 448.946 6.318 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Br)cc2)ccc1OC(=O)CC(C)C 2330893013 DBOLRHCJAKPDJF-UHFFFAOYSA-N 431.326 5.695 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 2331051519 GEZMEJHDBXDCJW-UHFFFAOYSA-N 430.544 6.103 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(C2CCCC2)n1N=Cc1cccc(Cl)c1 2331104381 XNTIJPJRQQLXLC-UHFFFAOYSA-N 449.382 6.556 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1c(F)cccc1Cl 2331157958 MHLHJLSSWIUIBN-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)cc2)c(Cl)c1)c1ccc(Cl)c(Cl)c1 2331241481 OUSLGTMYYPSECK-UHFFFAOYSA-N 449.692 6.901 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(C(=O)OC)cc1 2331348871 XBNHRWRYABLKES-UHFFFAOYSA-N 442.972 5.235 30 10 IKEE COc1cc(C=Nn2c(SCc3cccc4ccccc34)nnc2C(C)(C)C)ccc1O 2331402515 KWYKSJOQMPAUSO-UHFFFAOYSA-N 446.576 5.618 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)[C@H](C)c1ccccc1 2331445540 JLDCMGVASGBPKS-GOSISDBHSA-N 444.483 5.419 30 10 IKEE CCOc1cccc(C=Nn2c(CC(C)C)nnc2SCc2ccccc2Cl)c1 2331456365 FWZVBFNUSPQJPR-UHFFFAOYSA-N 428.989 5.703 30 10 IKEE O=C(Cc1ccc(F)cc1F)Oc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1Cl 2331557039 OVYHIYRILHFKAA-UHFFFAOYSA-N 448.799 5.941 30 10 IKEE CC1(C)CC=C(B2OC(C)(C)C(C)(C)O2)CN1Cc1ccc(Br)cc1Cl 2362506192 YFUYFWPLGRYFFC-UHFFFAOYSA-N 440.618 5.645 30 10 IKEE N[C@H](C#Cc1cnn(C2CC2)c1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2365926311 LFVZHXYNMPFOSM-HHHXNRCGSA-N 449.554 5.428 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C/c1c(Cl)cccc1Cl)C2=O)c1ccc(F)cc1 2235165 WRYJORCCMJUHCY-RGVLZGJSSA-N 429.230 5.968 30 10 IKEE CCCCOc1ccc(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1OCC 2609119 VMIWGGRXIFYVRR-KRWDZBQOSA-N 440.609 5.893 30 10 IKEE Cc1cccc2oc(-c3ccc(/N=C/c4cc(Cl)cc(Br)c4O)cc3)nc12 3114094 POJGHKIWTUVOLX-BHGWPJFGSA-N 441.712 6.675 30 10 IKEE Cc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)c(Cl)c1 21722295 DDDVKZGTRFBVJF-DEOSSOPVSA-N 447.922 6.454 30 10 IKEE Cc1noc2c1[C@@H](c1ccc(Cl)c(Cl)c1)C1=C(C[C@H](c3ccccc3O)CC1=O)N2 33026467 AKLUZVOIEKVLJU-YEJXKQKISA-N 441.314 5.954 30 10 IKEE CN1C/C(=C/c2ccccc2Br)C(=O)/C(=C/c2ccccc2Br)C1 33305340 FAVOOEYXDNBGBH-VRNBXGKJSA-N 447.170 5.193 30 10 IKEE NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1c1ccc(Cl)c(Cl)c1 34769455 RKEAEUIGQRUTDR-UHFFFAOYSA-N 436.751 5.487 30 10 IKEE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1/C(=N/Nc1ccccc1)CCC2 40824201 XLLGOBHWIRTAFA-JVWAILMASA-N 428.319 6.300 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC/C=C/c4ccccc4)cc(C)c3C2=O)c(OC)c1 41436317 MNKMLSGOQATWKA-PEFLFMRCSA-N 428.484 5.721 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1COc1nc2ccccc2n1Cc1ccccc1C#N 95086643 JOKDIEGPFGPQAG-NRFANRHFSA-N 446.551 5.125 30 10 IKEE CCCCCCCOc1ccc(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)cc1 100157110 JJPKFHOIFWKCGS-UHFFFAOYSA-N 428.598 5.950 30 10 IKEE CCCCCCCCCCCCn1c([C@@H](C)NC(=O)c2cccc(C)c2)nc2ccccc21 102112363 AEWRQOIZNXWHIL-XMMPIXPASA-N 447.667 7.757 30 10 IKEE CCOc1ccc(/C=C2/Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc3C2=O)cc1 110520760 FWMLNCVDJAPILC-PCLIKHOPSA-N 442.511 6.218 30 10 IKEE CCOc1cc([C@@H]2NC(=S)N(CC)C(C)=C2C(C)=O)ccc1OCc1ccccc1C 169933230 ACBQIDSBEMFBFF-DEOSSOPVSA-N 438.593 5.087 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccc(O)cc2)cc1 169960592 PPQMHAXPHMINRI-XMMPIXPASA-N 443.499 5.191 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccc(O)cc2)cc1 169961268 ZVSPJSJKYAJODC-JOCHJYFZSA-N 433.891 5.391 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(OC(C)C)cc1 169978921 UCYNDHKDDIXJTM-HSZRJFAPSA-N 437.536 5.251 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2cccs2)cc1 169982965 QFIGMJNGGPXBIN-OAQYLSRUSA-N 437.948 6.308 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2cccs2)c1 169984236 GYWOZNWHLPTSGJ-OAQYLSRUSA-N 437.948 6.110 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccccn1 169996833 HVSLMUVLPZDXGK-QFIPXVFZSA-N 444.874 5.573 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2C)cc1 170029960 KWNFQLWAVDDPEK-HSZRJFAPSA-N 431.463 5.316 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2ccc(C)cc2)c1 170036628 MMQAMKBOFILANR-XMMPIXPASA-N 443.499 5.185 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1ccc(O)cc1 170137556 FBRJXWNISGLFHS-NRFANRHFSA-N 439.895 5.560 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@@H]1c1cccs1 170158919 LIDIEGHUVDXSCG-JOCHJYFZSA-N 449.528 5.165 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccs2)cc1C(C)C 170163165 VWMQQWKVTUVXLP-QFIPXVFZSA-N 448.544 5.054 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccn2)cc1C(C)(C)C 170173037 ZTVQDKMDSODHFM-QHCPKHFHSA-N 442.515 5.171 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccncc2)cc1Cl 170202643 IEOBOXRIDTYCEQ-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccncc2)cc1Cl 170205499 DKDHERPBLRYUSX-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(Cl)c3)[C@H]2c2ccccc2)cc1 170227177 QPYYLIPEFFWFCU-OAQYLSRUSA-N 438.310 6.085 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1ccccc1 170228973 MBASPRLWEMKXBL-JOCHJYFZSA-N 447.918 5.748 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2)ccc1OCC(C)C 170231540 CJZDUYVRHMBLCH-RUZDIDTESA-N 447.575 5.941 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2C)cc1C 170271254 MIFMOPCIMVUWHM-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCO3)=C(O)C(=O)N1c1ccccc1 170272256 RRZVCFLBZWSHDN-XMMPIXPASA-N 425.484 5.103 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2OCC)[C@H]1c1ccccc1C 170276682 HKEWFDXZGKBECU-HSZRJFAPSA-N 437.536 5.171 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1ccco1 170283733 PYJCMELLMBHJMI-QFIPXVFZSA-N 431.488 5.374 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2ccc(C)o2)c1 170300153 HFLXAYHLSDGSOX-XMMPIXPASA-N 443.499 5.313 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@@H]1c1ccc(C)o1 170301910 VGMNGYRNRBFNAX-JOCHJYFZSA-N 435.451 5.135 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1sccc1C 170319121 WWDKYQURMOPXBF-HXUWFJFHSA-N 427.566 5.388 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1sccc1C 170319462 KWVDJBZSXJROGB-LJQANCHMSA-N 439.533 5.580 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(O)c(Cl)c2)cc1 170368064 QQBKKJYPNLACEC-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2cccc(C)c2C)cc1 170453520 HOYNTHREGFTXML-RUZDIDTESA-N 434.580 5.665 30 10 IKEE CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3cccc(C)c3)sc2c1 170462293 KZASLZFHDOYJOI-OAQYLSRUSA-N 444.512 5.543 30 10 IKEE CCc1ccc(OCCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1 170494069 MGVZIUOISIWQDK-UHFFFAOYSA-N 436.511 6.455 30 10 IKEE C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)C(=O)/C(=C\c3ccc(OC(F)F)cc3)C[C@H]12 253572195 PXDOMWMSMCFAEF-SSCVOOBUSA-N 444.562 6.254 30 10 IKEE CC(=O)Oc1ccc(-c2ccc(C=Nc3ccc(C)cc3C(=O)c3ccccc3)cc2)cc1 254440405 HZIGHGSQOSDYHG-UHFFFAOYSA-N 433.507 6.569 30 10 IKEE C=CCN=c1scc(-c2ccc(OC(F)F)cc2)n1N=C1CCCCc2ccccc21 254490491 ZJPYTESVQOHINF-UHFFFAOYSA-N 439.531 5.884 30 10 IKEE C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)(C)O)C[C@H](O)C[C@@H]1O 271779199 ZGLHBRQAEXKACO-FBURWIAUSA-N 428.657 5.727 30 10 IKEE CCCCCCCCCCC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@]12C 306121434 GRAAWEGTURLYKP-BJSCTODSSA-N 442.684 7.571 30 10 IKEE C=CCN(C[C@H](NCCC)c1ccc(Br)c(Cl)c1F)C(=O)OC(C)(C)C 407235044 IBYNJISDHGNZFT-HNNXBMFYSA-N 449.792 5.705 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(OC)c(Cl)c2)cc1 526487488 ZGCFAMIHCSLPIP-HSZRJFAPSA-N 446.890 5.286 30 10 IKEE Cc1ccc(SC2=C(Nc3cccc(C)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 526639385 OPFOPPPJHRUNJT-UHFFFAOYSA-N 425.513 5.164 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1ccc(Br)cc1 526805464 MRRQUGJQYRTEQT-UCQKPKSFSA-N 443.414 5.866 30 10 IKEE Cc1nnc(SCc2ccccc2Cl)n1/N=C\c1c(Cl)ccc(Cl)c1Cl 526816500 GVRFENHMNGPFTB-UYOCIXKTSA-N 446.190 6.375 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)c3ccc(Cl)s3)C2)c1 586005171 LZJSYKDWNRRROY-GOSISDBHSA-N 446.016 5.274 30 10 IKEE COc1ccc([C@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)cc1Br 698410639 ZXMVWCDKGLLVGO-SFHVURJKSA-N 431.330 5.460 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1ccc2c(c1)OCO2 698483062 SUFRZTRDOWVMBG-INIZCTEOSA-N 431.286 5.184 30 10 IKEE CC(=C/c1cccs1)/C=C/C(=O)c1ccc(C(=O)/C=C/C(C)=C/c2cccs2)cc1 725419832 LVOGIPHBLPIGBD-OMNWJQDJSA-N 430.594 7.494 30 10 IKEE Cn1cccc1/C=C1/S/C(=N/c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C1=O 1614807031 GPVIUJYRJXIINV-SIEMAEAWSA-N 428.344 6.141 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=Nc1cccnc1Cl 1772733148 KQLUVROGOHVIET-AZAZKDLZSA-N 434.746 5.288 30 10 IKEE C=CCN1C(=O)/C(=C\c2cccc(Cl)c2)SC1=Nc1nc(-c2ccccc2)cs1 1772738519 QDADWIPBCWQVBO-GNMKNICSSA-N 437.977 6.254 30 10 IKEE Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1C(=NNc1ccc(F)cc1)CCC2 1772749428 NCELTZLJFXEQPC-UHFFFAOYSA-N 434.496 5.742 30 10 IKEE Cc1ccccc1/C=C1\SC(=NN=C/C=C/c2ccccc2)N(Cc2ccco2)C1=O 1772758756 CTUFJOPURQYXAN-HIALKXEPSA-N 427.529 5.760 30 10 IKEE N#CCc1ccc(-c2cccc(OC(F)(F)F)c2)c(-c2cccc(OC(F)(F)F)c2)n1 1848362076 ZSOPSTIPICGUSO-UHFFFAOYSA-N 438.327 6.279 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)OCCCCCC)c(=O)cc1C(=O)O 1857890806 FDXFDJVPOHRFAH-UHFFFAOYSA-N 437.577 5.190 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc3c(OC(=O)Nc4ccccc4Cl)cccc23)c1 1858780319 VBRFIPOOGYLOFL-UHFFFAOYSA-N 441.874 6.228 30 10 IKEE CCc1ccc(-c2cc(C(=O)Nc3ccccc3C#N)nn2-c2ccc([N+](=O)[O-])cc2)cc1 1859397792 SISVDRMSVNOKJK-UHFFFAOYSA-N 437.459 5.134 30 10 IKEE N#Cc1cccc(C(=O)n2c(=O)oc3cc(-c4csc(C5CCCCC5)n4)ccc32)c1 1860476446 KAEPPFQFMOFQHM-UHFFFAOYSA-N 429.501 5.326 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)[C@H](C)CC 1861054358 FCKLOBYWBHQXSM-UTKZUKDTSA-N 443.459 6.395 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccccc1 1862379739 JNCLXCXFUAQDBV-FQEVSTJZSA-N 448.346 5.387 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2ccc3c(c2)OCCO3)cc1 1862397516 QOHINHSODUUPFL-OSPHWJPCSA-N 449.547 5.177 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccccc1C 1862412223 ZHBOTSOFWKIDQU-QHCPKHFHSA-N 441.518 6.212 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(F)c1 1862444916 KAHXCIZYSGQQJY-XWRIVVANSA-N 427.903 5.636 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2cccc3ccccc23)cc1 1862480657 LKFGGVUYFQBPLL-VWLOTQADSA-N 434.495 5.322 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccccc2C)c1 1862489926 KIWVNLRAIWULKX-DEOSSOPVSA-N 429.491 5.529 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(C(F)(F)F)cc1 1862495865 WTUCMLKJTLTHRM-YWZLYKJASA-N 431.454 5.699 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCC(C)C)cc1 1862496486 LKZBLCPRAFSXFB-RUZDIDTESA-N 448.607 5.774 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1cccc(Cl)c1 1862516053 HOYKGBAJVAVOIR-QFIPXVFZSA-N 441.955 5.897 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2ccc(OCC)cc2)cc1 1862519568 NEKWXKZALMFBBD-SBUREZEXSA-N 437.536 5.251 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(C)cc1 1862535118 ZMJISOBAVYEGOF-RUZDIDTESA-N 433.592 6.496 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C(C)C)cc1 1862584305 VJBLYPSBAQMNJO-HXUWFJFHSA-N 432.347 6.104 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc2cc[nH]c2c1 1862617273 WNWIHWQQSIEEOL-QHCPKHFHSA-N 430.548 5.844 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc2cc[nH]c2c1 1862661141 PGAHHZGSCJWAAC-XMMPIXPASA-N 430.548 5.916 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccc2ccccc12 1862666698 KEYRXNTWOSTDGY-CJAUYULYSA-N 427.544 6.340 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1Cl 1862675874 VQPRYQLIFUYWHK-NRFANRHFSA-N 445.918 5.264 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc(C(C)C)cc2)c1 1862701642 JXZJJSLLGRVJSW-UODBTFMRSA-N 447.575 5.976 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CCC(C)C)cc1 1862706717 CVDFVAHWURGFBK-QHCPKHFHSA-N 437.536 5.108 30 10 IKEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccc1 1862712828 APGGWBDSMWUUCW-RUZDIDTESA-N 442.559 5.150 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2CCC(C)C)c1 1862721627 HAWPBYOBPGSVFK-SANMLTNESA-N 439.555 6.286 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862727303 AJVYWKCGKBHZCZ-QHCPKHFHSA-N 440.455 5.026 30 10 IKEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@H]2c2ccccc2)cc1 1862731589 XMYWVTQDFSQEQH-VWLOTQADSA-N 449.591 6.414 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C)c(Cl)c2)=C(c2ccc(C)cc2)C1=O 1863269064 VAIBVJIFPAKWEW-UHFFFAOYSA-N 438.999 6.509 30 10 IKEE CCCc1nc(Nc2ccc(C#N)cc2)cc(N2[C@H](Cc3ccccc3)COCC2(C)C)n1 1868400708 ATPSTWOPQRMYCY-HSZRJFAPSA-N 441.579 5.271 30 10 IKEE C[C@@H]1CN(c2cc(Nc3ccccc3C#N)nc(-c3ccc(C(C)(C)C)cc3)n2)CCO1 1868550392 QHZAVSGFHNZZKC-GOSISDBHSA-N 427.552 5.281 30 10 IKEE Cc1cc(-n2nnc(C#N)c2NC(=O)/C=C/c2ccc(Cl)cc2Cl)ccc1Cl 1870141038 WHDUBHKYGXDROW-XVNBXDOJSA-N 432.698 5.060 30 10 IKEE Cc1ccc(Cl)cc1-n1nnc(C#N)c1NC(=O)/C(=C\c1ccccc1)c1ccccc1 1870142677 UFKWVDUKDVCFQB-STZFKDTASA-N 439.906 5.280 30 10 IKEE C=CCn1cc(OCc2ccccc2C)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870171856 YRTBFPNODQZXIO-UHFFFAOYSA-N 445.588 5.406 30 10 IKEE C=CCOc1cn(Cc2ccc(OC)cc2)c(CNc2cccc(C(F)(F)F)c2)cc1=O 1870813256 CYNDEJYMKFWEMY-UHFFFAOYSA-N 444.453 5.101 30 10 IKEE COc1ccc(CC(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)cc2)C3=O)cc1OC 1871374447 KWLYRZZXTMVCOC-CFRMEGHHSA-N 444.483 5.085 30 10 IKEE O=C(Cc1cc(Cl)ccc1Cl)Oc1ccc2c(c1)O/C(=C\c1ccncc1)C2=O 1871376231 AFGXHCAFTDCXED-UKWGHVSLSA-N 426.255 5.153 30 10 IKEE Cc1cc(OC(=O)c2ccc(OC(C)C)cc2)cc2c1C(=O)/C(=C/c1ccc(F)cc1)O2 1871388301 OFHFZCAQGBDJEG-QRVIBDJDSA-N 432.447 5.757 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCc4c(Cl)ccc(Cl)c4Cl)ccc3C2=O)cc1 1871428100 IIGWBCVCIXVYRV-FBHDLOMBSA-N 445.729 7.150 30 10 IKEE Cc1c(OCC(=O)Nc2cc(Cl)cc(Cl)c2)ccc2c1O/C(=C\c1ccco1)C2=O 1871452642 KWFRTXGJMUJKSJ-GRSHGNNSSA-N 444.270 5.529 30 10 IKEE C=CCN([C@@H](CC)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1871823694 LDHNBTBZSBJSNN-DEOSSOPVSA-N 442.625 5.240 30 10 IKEE CC(C)c1ccc(O[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 1872760690 VRJWNEMBVCODIM-YWZLYKJASA-N 435.505 5.485 30 10 IKEE N#C[C@H](C(=O)/C=C/c1ccc(Cl)c(Cl)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872763789 VDFTXGICLVDFKA-GBVWOXPPSA-N 444.299 5.915 30 10 IKEE CCCCCCCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OC)cc3)n2)cc1 1872775886 CLJJKXUXBGIQMV-QHCPKHFHSA-N 448.588 6.658 30 10 IKEE COc1ccc(Cl)cc1C(=O)[C@H](C#N)c1nc(-c2ccc(OC)c(C)c2C)cs1 1872778629 PKVDIKAIIFASKA-KRWDZBQOSA-N 426.925 5.588 30 10 IKEE Cc1cc(C)c(-c2csc([C@@H](C#N)C(=O)/C=C\c3ccc4c(c3)OCCO4)n2)c(C)c1 1872786353 HYTGDYUSTGZOJZ-UTSMFGRCSA-N 430.529 5.396 30 10 IKEE CCOc1ccc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1OC 1872788362 YOEBERUINWXPFW-AWEZNQCLSA-N 446.981 5.741 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H]2CCCC[C@@H]2C)=C(c2ccccc2[N+](=O)[O-])C1=O 1873139838 GEHBPFUHSCSURJ-AZUAARDMSA-N 441.572 5.204 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2OC)C(=O)N([C@H](CC)CCCCC)C1=O 1873153052 UAYJERNVHFMYSN-OAQYLSRUSA-N 442.644 6.084 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(OCC(C)C)cc2)=C(c2cccnc2)C1=O 1873269178 OAJYKLCYDVYHIE-UHFFFAOYSA-N 449.595 5.669 30 10 IKEE C=CCNC(=O)c1c(NC(=O)[C@H](C)Oc2ccccc2C(C)C)sc2c1CCCC2 1873442043 CVXNGJRINDRAAY-INIZCTEOSA-N 426.582 5.072 30 10 IKEE COC(=O)c1nc(-c2cccs2)oc1N/N=C/c1cccc(OCc2ccc(C)cc2)c1 1873464340 ZBJYNNAZDSPQCB-AFUMVMLFSA-N 447.516 5.523 30 10 IKEE C=CCSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1cccs1 1874206764 SEKZLSIHOZALBO-KEBDBYFISA-N 425.366 5.386 30 10 IKEE C=CCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccc(Cl)cc1 1874255653 CEEBMXKJCMAUCO-ZMOGYAJESA-N 426.973 5.596 30 10 IKEE Cc1cccc(/C=N/n2c(Cc3ccccc3F)nnc2SCCc2ccccc2)c1 1874376261 MXISWEPQQJUSIM-OVVQPSECSA-N 430.552 5.533 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccccc3)nnc2[C@H](C)c2ccccc2)cc1 1874395469 NGYASLBBODVZIV-QZCBGFPPSA-N 442.588 6.003 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(CC3CCCCC3)nnc2SCc2cccc(F)c2)c1 1874406323 GQARGUCMVAOSGZ-CVKSISIWSA-N 438.572 5.729 30 10 IKEE COC(=O)c1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccccc2)cc1 1874407677 JTYZVCXGZMHVCO-YZSQISJMSA-N 448.592 5.362 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SCCC)nnc2-c2ccccc2)cc1OC 1874428941 JCOZVVGEGMRKQZ-XIEYBQDHSA-N 438.597 5.907 30 10 IKEE Cc1ccccc1CSc1nnc([C@H]2CCCO2)n1/N=C/c1cn(C)c2ccccc12 1874443533 DZHZTDMYONKWEI-FDCKDHBTSA-N 431.565 5.104 30 10 IKEE C=C(C)CSc1nnc(-c2ccco2)n1/N=C/c1ccc(OCCC)c(OCC)c1 1874466677 VLRPJMMIGMZZPT-OEAKJJBVSA-N 426.542 5.276 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1/N=C/c1sccc1C 1874475087 IRJUPSNVIZPLOD-YDZHTSKRSA-N 441.626 5.220 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C(C)(C)C)c(OC)c1 1874485743 KUVZQUYNACAPLK-ZMOGYAJESA-N 444.988 5.421 30 10 IKEE CC(C)Cc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccccc1[N+](=O)[O-] 1874489657 DICULKXWMDUYCB-WSDLNYQXSA-N 429.933 5.213 30 10 IKEE CCCOc1c(/C=N/n2c(SCc3ccc(F)cc3)nnc2C(C)C)cccc1OC 1874512065 KLDYMHNPUROIDD-AFUMVMLFSA-N 442.560 5.513 30 10 IKEE CC(C)c1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc(Br)cc1 1874513749 NWTSUKLRBHVYAB-SSDVNMTOSA-N 449.805 5.992 30 10 IKEE CCCSc1nnc(C(C)C)n1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1874515191 QVFCPIOKEQOVJK-WPWMEQJKSA-N 444.604 6.518 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1OCc1cccc(F)c1 1874569621 AWKWZCJSFZPFER-CMDGGOBGSA-N 441.842 5.871 30 10 IKEE COc1ccc(OCc2nnc(S)n2/N=C/c2c(F)cccc2Cl)c(C(C)(C)C)c1 1874571170 ZLISNBQKRCZWGX-BHGWPJFGSA-N 448.951 5.127 30 10 IKEE O=C(COc1ccccc1/C=C/C(=O)c1ccc(Cl)cc1Cl)NCc1ccccc1 1874573477 PZBQVPRWGHURPC-JLHYYAGUSA-N 440.326 5.585 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2c(C)cccc2C)cc1 1874575906 MUBLYQXKJDGRIW-DTQAZKPQSA-N 445.515 5.234 30 10 IKEE COc1cccc(/C=C/C(=O)c2cccc3ccccc23)c1OCc1c(F)cccc1Cl 1874583441 NDKYSBZWUBFJII-FOCLMDBBSA-N 446.905 7.116 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccccc1OCc1ccc(F)cc1 1874586245 CJLXQQUNUDFBNO-DHZHZOJOSA-N 431.290 6.616 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1)c1ccc2ccccc2c1 1874592761 AHLYYXXEQYHDJG-UKTHLTGXSA-N 433.334 7.622 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OCc1cccc2ccccc12 1874597601 VTQRMHAKDDSRTR-GZTJUZNOSA-N 436.551 7.447 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(Cl)cc3Cl)cc2)c1 1874605802 GWWXDBLRMZWBBE-KPKJPENVSA-N 440.326 6.215 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1C 1874607026 RXEQBELYNDMOAS-JXMROGBWSA-N 449.934 5.879 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1OCC 1874611380 GQOLMJGLGKVSMR-YRNVUSSQSA-N 445.506 5.287 30 10 IKEE O=C(/C=C/c1ccc(OCc2c(F)cccc2Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1F 1874611573 LNFRFTJGJMODBY-XBXARRHUSA-N 447.796 6.141 30 10 IKEE C=CCOc1c(Br)cc(/C=C/C(=O)c2ccc(OCCC)cc2)cc1OC 1874616941 BJJBBMAMLRKGHW-IZZDOVSWSA-N 431.326 5.707 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Cl)c1OCc1ccccc1F 1874627268 HBRDKXKUPJVULJ-JXMROGBWSA-N 446.852 6.631 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1[N+](=O)[O-] 1874633207 QRHPDSSVVZMMFC-DHZHZOJOSA-N 438.524 5.135 30 10 IKEE CCCCC(=O)Oc1cc(/C=C/C(=O)c2cccc(OC)c2)c(Br)cc1OC 1874695231 QNUKZJWNGKVMLJ-ZHACJKMWSA-N 447.325 5.458 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3ccc(C)c(C)c3)c2)cc1F 1874707090 NSYXVAAZEICXKN-DHZHZOJOSA-N 434.463 5.332 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1OC(=O)[C@H](C)c1ccccc1 1874708024 IYRJUDMJEOZCAV-XBVMLYLOSA-N 436.507 6.454 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3ccccc3Cl)c2)cc1C(C)C 1874711033 PXQOSIZLFVGPIU-OUKQBFOZSA-N 448.946 6.896 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OC(=O)[C@H](C)c1ccccc1 1874716231 ISGSJAALUGPYGA-ZOXUKVPXSA-N 428.528 6.226 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)cc1)c1cccc([N+](=O)[O-])c1 1875085250 WPKANUCYCOIIIX-ULNQUZHKSA-N 447.874 5.853 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(Cl)c1OC(=O)[C@H]1CCCO1 1875094910 OXDXJWHTIOBIKO-YVWYTEFXSA-N 436.891 5.482 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)ccc1OC(=O)CCc1ccccc1 1875100452 BSMWBNCTRJPNCK-NTCAYCPXSA-N 430.500 5.528 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(C)c3)cc2OC)cc1 1875108822 IJZCIOTXYFGFOB-LFYBBSHMSA-N 432.472 5.136 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc(F)c(F)c1F 1875110471 MRYKRVWCBBSVTR-UXBLZVDNSA-N 446.808 5.881 30 10 IKEE Cc1cc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2)ccc1Cl 1875122701 IGRFSIYZVMSLNM-YIXHJXPBSA-N 441.310 6.182 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)cc3)c(OC)c2)cc1 1875131407 XFDRWILMBGJFJV-OQLLNIDSSA-N 430.500 5.447 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)[C@@H](C)c1ccccc1 1875136237 FNLFPBBLEGEECY-UEBLJOKOSA-N 440.539 6.337 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)[C@@H]3CCCO3)c(Br)c2)c1 1875139505 LVASFFXIJAZRHY-OEAKIKGJSA-N 429.310 5.046 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3Cl)c(Cl)c2)ccc1F 1875141770 UHOAQMRKCCNNGY-UXBLZVDNSA-N 443.301 6.485 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3)c([N+](=O)[O-])c2)cc1 1875148401 MRYWLLSTDFWQJP-OQLLNIDSSA-N 429.472 6.008 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(-n3cccc3)cc2)cc1)c1ccc(F)c(F)c1 1875161843 KFDUNTOAFBUGKM-LHHJGKSTSA-N 429.422 5.871 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cnc(C)cn3)c(Cl)c2)c(C)c1C 1875167622 JFLUWMBMHQXMMR-VMPITWQZSA-N 436.895 5.179 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)cc2)c(C)c1 1875182766 UJNJQSJPVQRLOA-VONCPEHPSA-N 444.958 6.870 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)Cc1ccc(C)cc1 1875183656 MHVZDXBLOCDFSE-ACCUITESSA-N 442.555 6.363 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cc(SC)ccc3Cl)cc21 1890501709 ACEGMKYTQJCJHT-UHFFFAOYSA-N 430.957 5.252 30 10 IKEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N(Cc3ccccc3)Cc3ccccc3)n[nH]2)c1C 1891703936 FPKWDWGGMGTODA-UHFFFAOYSA-N 439.563 5.309 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1cc(C(F)(F)F)ccc1Br 1922065396 MEACXVVRNIIMTE-IBGZPJMESA-N 428.292 5.892 30 10 IKEE C=CCC1(NCc2cc(F)cc(Br)c2)CCN(C(=O)OC(C)(C)C)CC1 1924553708 JJIYSMIISMWTRC-UHFFFAOYSA-N 427.358 5.024 30 10 IKEE CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 1941060594 CPGNEVSXOLBMSK-DVECYGJZSA-N 437.625 5.778 30 10 IKEE CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1 1945821404 JPTFFHWQMGGFFQ-ICSRJNTNSA-N 431.577 5.507 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](CSC(C)C)NC(=O)OC(C)(C)C 1975720776 JBENJSHNSZLGIL-FCHUYYIVSA-N 436.662 5.163 30 10 IKEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2020788151 DGFTZBQIENDWSM-SJORKVTESA-N 443.535 5.093 30 10 IKEE Cc1sc(C)c([C@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)c1Br 2032030148 DGKXNHLIHDPQGU-AWEZNQCLSA-N 441.416 6.191 30 10 IKEE CC(C)(C)OC(=O)N(CCN=[N+]=[N-])[C@H](C#N)c1ccc(Br)c(Cl)c1F 2036853495 NHGFVOUADKWEMX-LLVKDONJSA-N 432.681 5.354 30 10 IKEE Cc1cc(Br)sc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2039289428 BXESLIURHRTVRA-AWEZNQCLSA-N 425.323 5.965 30 10 IKEE CCN(CC)c1ccc(C=CC(=O)c2c(C)nc3ccccc3c2-c2ccc(C)cc2)cc1 2042435592 IAIRBFSTVDVFID-UHFFFAOYSA-N 434.583 7.261 30 10 IKEE C=C(C)CC(CC(=C)C)(C(=O)OC)c1ccc(-c2ccc(C(F)(F)F)cc2)c(C#N)c1 2069508303 VPSLLXYXPVTKFY-UHFFFAOYSA-N 427.466 6.587 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 2074139760 VGAWJUOLJYEPIK-RUZDIDTESA-N 449.636 5.876 30 10 IKEE Cc1ccc([C@H](C2CCC2)n2nc(C3CC3)c(/C=N/O)c2I)cc1C 2079131236 QDZBXWOJPGKKNP-QKXOWGBTSA-N 449.336 5.180 30 10 IKEE Fc1c(Cn2nc(C3CCC3)c(C(F)(F)F)c2Br)cccc1C(F)(F)F 2079822662 KORMLINLQIDBLT-UHFFFAOYSA-N 445.176 6.138 30 10 IKEE CC(C)c1nn([C@@H](c2ccc(C3CCC3)cc2)C(C)(C)C)c(Br)c1C=NO 2079929353 SXBJVHZEOSESJM-FQEVSTJZSA-N 432.406 6.480 30 10 IKEE Fc1ccc(-c2c(C(F)(F)F)nn(C3CCSCC3)c2Cl)cc1C(F)(F)F 2080933686 RLDMVEBMNFNANY-UHFFFAOYSA-N 432.792 6.448 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)cc(C)cc1Br 2116827603 BZXQVLODLPWVEC-WMZOPIPTSA-N 429.374 5.407 30 10 IKEE Cc1ccc(C(=O)NC2CC(B3OC(C)(C)C(C)(C)O3)C2)c(NC(=O)OC(C)(C)C)c1C 2124535549 WWXDUMZUGSMART-UHFFFAOYSA-N 444.381 5.005 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](Cc2ccc(Cl)c(Br)c2)NC)C1 2126687805 VKMHJXLYKLWTLX-QGZVFWFLSA-N 443.813 5.094 30 10 IKEE C=CC[C@@H]1CCCC[C@H]1NCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134722093 MLDPFRZPXDPTEL-VSGBNLITSA-N 441.615 7.069 30 10 IKEE N#Cc1ccc(CNc2ccc(Cl)c(I)c2Cl)c(Cl)c1 2150348080 OCEFKFXDDDRIBL-UHFFFAOYSA-N 437.495 5.735 30 10 IKEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNc2ccc(Br)cc2C#N)cc1 2162317621 DSAWYRHKRCEZNJ-CQSZACIVSA-N 430.346 5.519 30 10 IKEE CC(C)(C)OC(=O)NCC1CCC(CNc2cc(Br)cc(F)c2C#N)CC1 2163695895 FAVXZGIGYNFHPO-UHFFFAOYSA-N 440.357 5.203 30 10 IKEE C[C@@H](Nc1cc(Br)cc(F)c1C#N)c1ccc(NC(=O)OC(C)(C)C)cc1 2163707114 ICSQPMTYVYVHAH-GFCCVEGCSA-N 434.309 5.980 30 10 IKEE CC[C@H]1CN(C(=O)OC(C)(C)C)[C@H](CC)CN1c1ccc(C#N)c(Br)c1F 2174808898 SZYSIHBZKBFQEI-LSDHHAIUSA-N 440.357 5.074 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](Cc2ccc(C)c(Br)c2)NCC)C1 2183006143 HOUAWRZFZCGWSZ-LJQANCHMSA-N 437.422 5.139 30 10 IKEE C=C(Cl)C[C@H](NCCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229118905 SESPMYKTEZUHAF-ZWKOTPCHSA-N 445.829 5.396 30 10 IKEE C=CCC[C@@H](C)[C@H](NC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2229177019 GMTVKXBJOOPIGI-MNEFBYGVSA-N 425.411 5.075 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)C[C@@H]2CCC[C@@H]21 2250797864 YASUXWHXMPNMKS-HZLPDVBGSA-N 428.617 5.211 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCC(=O)O)c1cccc(Br)c1Cl 2262199241 GVGSZRVCARNFPO-IBGZPJMESA-N 425.706 5.018 30 10 IKEE C=CCCC[C@@H](OCCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2276894966 VOBRCYUMCZCTIM-HHHXNRCGSA-N 445.603 6.607 30 10 IKEE COc1ccc(C(=O)COc2ccc3c(c2)OC(=CC=Cc2ccccc2OC)C3=O)cc1 2293039306 KOFWIWVSKFDSOD-UHFFFAOYSA-N 442.467 5.138 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)CCCCN(C)C(=O)OC(C)(C)C 2296277633 UYTVGDYGNNCCCQ-HXUWFJFHSA-N 437.422 5.206 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)CCCCN(CC)C(=O)OC(C)(C)C 2296296827 RZFZHSPHYVWTHB-FQEVSTJZSA-N 437.422 5.206 30 10 IKEE CN(Cc1ccccc1)Cc1c(O)ccc2c1OC(=Cc1ccc(Cl)cc1Cl)C2=O 2296589845 KLJAKCYBBICKAM-UHFFFAOYSA-N 440.326 5.947 30 10 IKEE O=C1C(=Cc2cc(Cl)cc3c2OCOC3)Oc2cc(OC(=O)C3CCCCC3)ccc21 2296589913 YUGSYQBJGVHXKA-UHFFFAOYSA-N 440.879 5.308 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OS(=O)(=O)c3ccc(Cl)cc3)ccc2C1=O 2296607432 FUFLKSPVCRMLJR-UHFFFAOYSA-N 426.877 5.032 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1OC 2296867946 IOKJFPSQDPZDEG-UHFFFAOYSA-N 428.440 5.095 30 10 IKEE C[C@]12CCC(=NNc3cccc(Cl)c3Cl)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]12 2297329292 HESAJDXBMHQLJH-KSDLHCFASA-N 445.434 7.293 30 10 IKEE COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2SC(=Nc3cc(C)cc(C)c3)NC2=O)o1 2313510335 SMHWPACAFLPRGV-UHFFFAOYSA-N 449.488 5.372 30 10 IKEE Cc1cc(C)cc(-n2c(C)cc(C=C3SC(=Nc4ccc(C)c(C)c4)NC3=O)c2C)c1 2313510359 ZAQMGYKLTPGWBW-UHFFFAOYSA-N 429.589 6.219 30 10 IKEE C=CCOc1ccccc1C=C1SC(=Nc2cccc(C)n2)N(c2ccccc2)C1=O 2314540600 UJVWSOVOLHQTJH-UHFFFAOYSA-N 427.529 5.763 30 10 IKEE CC[C@]1(C)N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2315231323 LNSQDKHBVPBNOO-BJKOFHAPSA-N 447.551 5.639 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CC2)c1 2320880332 JUNOQYBJLJBVKM-UHFFFAOYSA-N 426.973 5.772 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(C(C)(C)C)cc1 2321065612 FMTFHSLNRINTSX-UHFFFAOYSA-N 430.980 6.105 30 10 IKEE Cc1ccc(COc2cc(C)c3c(c2)OC(=Cc2ccccc2Br)C3=O)cc1 2321744067 MMRVVTZMPLRGAC-UHFFFAOYSA-N 435.317 6.261 30 10 IKEE Cc1cc(OCc2ccc(Cl)cc2Cl)cc2c1C(=O)C(=Cc1cccc(Cl)c1)O2 2321784449 XWCGLJXQMVFKNT-UHFFFAOYSA-N 445.729 7.150 30 10 IKEE CC(C)OCCCN1COc2ccc3c(c2C1)OC(=Cc1ccc(Cl)c(Cl)c1)C3=O 2322019765 LNWJEVWPNYIYEH-UHFFFAOYSA-N 448.346 5.577 30 10 IKEE CCCCC[C@@H](CC)N1COc2ccc3c(c2C1)OC(=Cc1ccccc1OCC)C3=O 2322071856 XYJSZUCIXNVUOP-HXUWFJFHSA-N 435.564 6.212 30 10 IKEE CCCCC[C@H](CC)N1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(N(C)C)cc1)C3=O 2322076141 XXBJOQUAFPEFJL-NRFANRHFSA-N 448.607 6.188 30 10 IKEE CCCCCN1COc2c(cc3c(c2C)OC(=Cc2ccc(N(CC)CC)cc2)C3=O)C1 2322348143 LYCYEPFBEXQESF-UHFFFAOYSA-N 434.580 5.800 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2c(F)cccc2Cl)cc1C 2322416162 RHZCLXHEMVGKHY-UHFFFAOYSA-N 440.898 6.280 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1 2323200431 QYFCIIPULONONO-UHFFFAOYSA-N 442.511 6.027 30 10 IKEE Cc1cc(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc2c1C(=O)C(=Cc1cccs1)O2 2323283084 LINQFFSBDJTTBV-UHFFFAOYSA-N 441.848 5.454 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCSC)NC(=O)C=Cc1ccccc1Cl 2323396450 KOHPFWNFMCUXLN-FQEVSTJZSA-N 425.038 5.068 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Cl)c(OCc3ccccc3)c(OCC)c2)cc1 2323541049 TWBCTFLACXQHCM-UHFFFAOYSA-N 448.990 7.556 30 10 IKEE CCCCCCCCCOc1ccc(C=Nn2c(S)nnc2C(F)(F)F)cc1OC 2323561158 IQUGRAIZYPSYRV-UHFFFAOYSA-N 444.523 5.606 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(OC)c(OCc2cc(C)ccc2C)c(OC)c1 2323700736 AGYUAXJWEZRASQ-UHFFFAOYSA-N 432.516 5.804 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2Cl)cc1 2323854722 SRBUUWYFBVHFBN-UHFFFAOYSA-N 433.935 6.179 30 10 IKEE CCCOc1c(Br)cc(C=CC(=O)c2ccc(C)cc2)cc1Br 2323896919 QVSAOLBWTVZJKE-UHFFFAOYSA-N 438.159 6.205 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 2323937456 RNGPNSZEOOTYMU-UHFFFAOYSA-N 447.487 5.867 30 10 IKEE C[C@@H]1CCCCN1Cc1c(O)ccc2c1OC(=Cc1cccc(Br)c1)C2=O 2324010275 UTFSHDTZTSOLTD-CQSZACIVSA-N 428.326 5.145 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cc(OC)c(OCc3ccc(C)cc3)c(OC)c2)c1 2324017478 WHTRVLVNTVGOHA-UHFFFAOYSA-N 448.515 5.505 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1 2324154503 XVITYMXBYHWNCG-OAQYLSRUSA-N 427.544 5.962 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2324450421 TVRPYTPNBMZOMJ-HNNXBMFYSA-N 449.890 5.371 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2C)C3=O)c(C)c1 2324494204 BFVCGYPEBNSZCP-IBGZPJMESA-N 427.500 5.634 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2)C3=O)c(C)c1 2324494389 CVERSDXTTAFWLZ-IBGZPJMESA-N 427.500 5.634 30 10 IKEE COc1ccc(OC)c(C=C2Oc3cc(OCCOc4cccc(C)c4)cc(C)c3C2=O)c1 2324527540 ISYAAWGZVROOGV-UHFFFAOYSA-N 446.499 5.395 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 2324571048 RZSPGIXMHNCQIZ-UHFFFAOYSA-N 445.534 6.345 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCc4ccc(C(=O)OC(C)C)cc4)ccc3C2=O)cc1 2324602990 NGIWHERRBCQVND-UHFFFAOYSA-N 428.484 5.755 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@H](C#N)C(=O)C=Cc2ccc(C(C)C)cc2)n1 2324725740 LZOIWNNDASVHHL-JOCHJYFZSA-N 430.573 6.449 30 10 IKEE Cc1cc(O[C@H](C)C(=O)Nc2ccc(C#N)cc2)cc2c1C(=O)C(=Cc1cccc(F)c1)O2 2325302215 MFSOCCWIRNOKCX-MRXNPFEDSA-N 442.446 5.028 30 10 IKEE Clc1ccccc1CSc1nnc(CCc2ccccc2)n1N=Cc1ccncc1 2325449058 NAUPJZSIRTWNQS-UHFFFAOYSA-N 433.968 5.286 30 10 IKEE O=C(C=Cc1ccc(Br)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 2325535937 AROUPMDRGKTTTJ-UHFFFAOYSA-N 436.305 5.249 30 10 IKEE CCCOc1ccc(C=Nn2c(CC)nnc2SCc2ccccc2F)cc1OCC 2325592588 FLVSZUICAHJMJJ-UHFFFAOYSA-N 442.560 5.342 30 10 IKEE CCOc1ccc(C=Nn2cnnc2SCc2c(Cl)cccc2Cl)cc1OC 2325666216 NXTQRVOHNVJVEJ-UHFFFAOYSA-N 437.352 5.167 30 10 IKEE COc1ccccc1C(=O)C=Cc1cccc(OC(=O)[C@H]2C[C@H]2c2ccccc2Cl)c1 2325724719 QVMYUKUTPHYMRA-VXKWHMMOSA-N 432.903 5.954 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)CC3CCCCC3)c2)c2ccccc12 2325776185 FIWROWKTTWEUDO-UHFFFAOYSA-N 428.528 6.620 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(C)cc3)c2)c(OC)c1OC 2325786106 VIKHRONWDRRZTC-UHFFFAOYSA-N 446.499 5.065 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(OCC(C)C)cc1 2326358319 VCHUXHNKEKKLND-UHFFFAOYSA-N 443.016 6.093 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1cn(CC)c2ccccc12 2326458266 HJOHZVXXSXSLKY-UHFFFAOYSA-N 445.636 6.387 30 10 IKEE C=CCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1ccc(F)cc1F 2327019604 NGWWAKKYWWRARQ-UHFFFAOYSA-N 428.508 5.037 30 10 IKEE COc1ccccc1OCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccccc1 2328219335 ZYXZNSMXELQRTN-UHFFFAOYSA-N 444.560 5.349 30 10 IKEE Clc1ccccc1C=Nn1c(COCc2ccccc2)nnc1SCc1ccccc1 2329339581 FVLZCJDIKAGRRU-UHFFFAOYSA-N 448.979 5.823 30 10 IKEE Oc1ccccc1C=Nn1c(CCc2cccs2)nnc1SCCc1ccccc1 2329669005 QGFZYQGHOJGKNK-UHFFFAOYSA-N 434.590 5.047 30 10 IKEE C=CCN(CC=C)C(=O)Oc1cccc2c(NC(=O)C=Cc3ccc(F)cc3)cccc12 2330019316 CUVDWAXAFHBSJV-UHFFFAOYSA-N 430.479 5.804 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccccc3C)nnc2[C@@H](C)c2ccccc2)c1 2330056535 YKONTWYFKXOPSX-FQEVSTJZSA-N 442.588 5.921 30 10 IKEE CCCSc1nnc([C@H](C)c2ccccc2)n1N=Cc1ccc(OCC)c(OCC)c1 2330125193 KVPRVIDQBGPZJT-GOSISDBHSA-N 438.597 5.612 30 10 IKEE CCSc1ccc(C(CC)=NOCc2cc(=O)c(OCc3ccccc3)cn2C)cc1 2330295384 FNXLEZIPHULJBN-UHFFFAOYSA-N 436.577 5.407 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cncc(C)c3)c(Cl)c2)cc1OC 2330718555 FFJYKPBDKAHOKH-UHFFFAOYSA-N 437.879 5.176 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H](C)Oc3ccc(Cl)cc3)cc2)cc1 2330740670 AMZGDFONZNKRQX-SFHVURJKSA-N 434.919 6.171 30 10 IKEE Cc1ccc(CSc2nnc(CC(C)(C)C)n2N=Cc2c(F)cccc2Cl)cc1 2330802178 IQVIVTAQFPVDJJ-UHFFFAOYSA-N 430.980 6.142 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1cccc(Cl)c1 2330825779 GRBTUNIIIDKOCF-UHFFFAOYSA-N 443.960 5.603 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)cc([N+](=O)[O-])c1OC(=O)CC(C)(C)C 2330975472 OVRJRBNNSFOGGD-UHFFFAOYSA-N 441.480 5.240 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2ccc(Cl)cc2Cl)nnc1C1CCCC1 2331093909 ITNIJJJDRLOQIL-UHFFFAOYSA-N 445.419 6.725 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2-c2ccco2)cc1OC 2331183255 KLMSMJXYGBLXJI-UHFFFAOYSA-N 448.548 5.428 30 10 IKEE Fc1cccc(CSc2nnc(-c3ccco3)n2N=Cc2ccc(C(F)(F)F)cc2)c1 2331183727 DHTKGTMXESTAGH-UHFFFAOYSA-N 446.429 5.871 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccco1 2331225257 DJVVPYSLRKEZLR-UHFFFAOYSA-N 443.359 6.328 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(Cl)c(OC(=O)CC(C)(C)C)c(OC)c1 2331351434 URTFRBZOIQROHU-UHFFFAOYSA-N 430.928 5.903 30 10 IKEE COc1cc(C=Nn2c(CC(C)C)nnc2SCc2ccc(F)cc2)cc(Cl)c1O 2331432524 CZYWKWLBQLBKGL-UHFFFAOYSA-N 448.951 5.158 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2[N+](=O)[O-])cc1 2331498349 IDLRXWWTBQHWAI-UHFFFAOYSA-N 443.499 6.396 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)CCCSC)cc1 2331546480 VPQRLHMTATYHDD-UHFFFAOYSA-N 426.578 5.937 30 10 IKEE CC(C)(C)C(=O)Oc1ccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1[N+](=O)[O-] 2331595517 ACVTZQZSXZFUIK-UHFFFAOYSA-N 445.471 6.235 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2ccccc2Cl)c1 2331684619 AMGBHISFOMFQAB-UHFFFAOYSA-N 441.988 5.285 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3C)cc2)c(OCC)c1 2331733748 HOWNTGCFWJWXDI-UHFFFAOYSA-N 430.500 5.908 30 10 IKEE CC1(C)OB(c2cc(Cl)cnc2Nc2ccc(Br)c(Cl)c2)OC1(C)C 2339403683 NZVCDBQCRNSGFE-UHFFFAOYSA-N 443.965 5.194 30 10 IKEE CCCCCCCC[C@@H](OCCN)c1sc(Cl)cc1I 2366649272 ZVKXZHUKMRGJCW-CYBMUJFWSA-N 429.795 5.773 30 10 IKEE C=CCCCCCCCCCOc1ccc(Br)c(NC(=O)OC(C)(C)C)c1 2370433700 HEOZVNIHEYXSCG-UHFFFAOYSA-N 440.422 7.482 30 10 IKEE CCOc1ccc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 9805302 SDHHXLUJMMYDQT-URAOTHONSA-N 446.550 6.701 30 10 IKEE C=CCn1c(COc2ccc(Cl)c(C)c2)nnc1SCC(=O)Nc1ccccc1C 13848504 KGDHFUUTUAJTFI-UHFFFAOYSA-N 442.972 5.044 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc3ccccc3c2)cc1OC 20883377 YDVFYMCWUCRGPB-FGZHOGPDSA-N 441.527 5.251 30 10 IKEE CCOc1cc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3onc(C)c32)ccc1OC 33321070 HNDMICIJUBJPRI-UUOWRZLLSA-N 430.504 5.349 30 10 IKEE O=C1N/C(=N\c2ccc(Cl)cc2)S/C1=C/c1cc(Cl)cc(Br)c1O 33348147 JHOPXYJZQZLVBC-AWNIVKPZSA-N 444.137 5.353 30 10 IKEE N#Cc1ccccc1CN1CCCN(c2cccc(NC(=O)c3ccccc3Cl)c2)C1=O 34735399 JMXANVDPNVAKBI-UHFFFAOYSA-N 444.922 5.296 30 10 IKEE COc1cc(OC)cc(-c2nnc(SCc3cccc(C#N)c3)n2C2CCCCC2)c1 35847575 WAOUIWKMXWTKQB-UHFFFAOYSA-N 434.565 5.631 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3ccccc3)C4)C2=O)cc1 41587381 BXKAPVZAVMZADH-CFRMEGHHSA-N 427.500 5.362 30 10 IKEE COc1ccccc1N=C1S[C@@H](C)CN1C(=O)CC(c1ccccc1)c1ccccc1 96579317 UBURXNZSHLPITJ-IBGZPJMESA-N 430.573 5.869 30 10 IKEE CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(C)cc2)S/C1=N/c1ccccn1 101124043 PRZAIJWJVWDKRD-BQDIORIJSA-N 429.545 5.593 30 10 IKEE COc1ccc(N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1 169885377 SVZYYSGNZKDQKQ-ZVHZXABRSA-N 441.325 5.491 30 10 IKEE COc1cc(/C=N\Nc2nc3ccccc3[nH]2)ccc1OCc1ccc(Cl)c(Cl)c1 169899950 YIJNOCYEMQWNBD-ROTLSHHCSA-N 441.318 5.903 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 169925368 QORGQJLFDNZRNJ-DEOSSOPVSA-N 439.467 5.533 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2cccc(C)c2)cc1 169966803 CJMDOVNOZJNBGP-VWLOTQADSA-N 440.543 5.406 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1cccs1)c1cc2ccccc2o1 169985384 WWCAJCTXXGAROK-HXUWFJFHSA-N 435.888 5.931 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccnc1 170009398 QNWMODSEGJRRAO-QFIPXVFZSA-N 444.874 5.573 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2C2CCCCC2)cc1 170031562 WDSZNWIRWVGWRM-XMMPIXPASA-N 449.547 5.313 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(Cl)cc2)cc1C 170059372 NYYWLXSTAZZHCY-QFIPXVFZSA-N 432.907 5.130 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccc(N(C)C)cc2)o1 170099883 JEGFBQWQGRYTPV-QHCPKHFHSA-N 430.504 5.054 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)c(OC)c3)=C(O)C(=O)N2c2ccccc2)c1 170117875 KIPAAGHWOORDTN-JOCHJYFZSA-N 449.890 5.140 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2cccc(C)c2)cc1 170140225 JKYZZAMAYSTRNB-XMMPIXPASA-N 445.490 5.706 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1cccc(C)c1 170141518 CQFUNZXMDUAPDZ-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cc4cc(Cl)ccc4o3)=C(O)C(=O)N2C2CCCCC2)c1 170145522 YMPLGTMXFDXHKH-QHCPKHFHSA-N 449.934 6.306 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1cccs1 170161655 PLHSFWZFTQPOIS-OYHNWAKOSA-N 431.513 5.163 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4C)[C@@H]3c3cccs3)oc12 170161665 DHSKDXPBBCEURS-OAQYLSRUSA-N 445.496 5.594 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@@H]1c1ccncc1 170202498 PNPWGNWLPKMGAM-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccncc1 170204036 OOROIQFUAAJUEL-NRFANRHFSA-N 448.906 5.143 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@H]1c1cccc2ccccc12 170220676 DGSNPRWMEWCMBP-HSZRJFAPSA-N 449.934 5.880 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccccc2)cc1OC 170223706 VDMCUUYHPHIENL-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(C4CCCCC4)[C@@H]3c3ccccc3)oc12 170231573 DUOIYFSQUZGMEN-JOCHJYFZSA-N 431.488 5.352 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@H]1c1ccccc1 170232772 JHCJFVYRFOEQCF-RUZDIDTESA-N 441.527 5.562 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(F)cc2)c1 170242351 DAQIEFWYXRMJCX-OAQYLSRUSA-N 443.902 5.399 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(F)cc1)c1ccc2ccccc2c1 170242388 FODSSBDHRMGKHH-XMMPIXPASA-N 429.491 5.890 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2F)c(C)c1 170249296 LHGQBDUUISACEG-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2cccc(O)c2)c1 170258409 NASWSAJHBIUUNR-DEOSSOPVSA-N 443.499 5.271 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)cc(Cl)c2OC)[C@H]1c1ccccc1C 170276989 KAOULWNYULGGQM-GOSISDBHSA-N 434.319 5.299 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccco2)cc1Cl 170288286 OKBARXVYCWCPND-OAQYLSRUSA-N 433.847 5.771 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2c2ccccc2O)o1 170301166 BRYNFCYRLHBZTE-HSZRJFAPSA-N 447.487 5.172 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C)o2)c1 170306940 AXTXURJPMGQGAO-FQEVSTJZSA-N 441.867 5.012 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1sccc1C 170314104 YJAWEBFZBBGZDB-IBGZPJMESA-N 441.455 5.126 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)c1 170330298 XEZDOBHDGWPWGR-NRFANRHFSA-N 437.854 5.271 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)[C@@H]1c1ccc(O)cc1)c1ccccc1 170341552 NXABXDLDVZQTBA-HXUWFJFHSA-N 439.389 5.194 30 10 IKEE CCCCCCC[C@@](C)(C(=O)O)N(CC)C(=O)OCC1c2ccccc2-c2ccccc21 226789069 UVKWIIZZZGICIV-MHZLTWQESA-N 437.580 6.461 30 10 IKEE CCOc1ccc(/C=C2\SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1 252588673 ADJNNHIPEIGAFE-SIFMURAYSA-N 428.557 6.511 30 10 IKEE CCN1C(=O)/C(=C/C=C2/Sc3ccccc3N2CC)SC1=Nc1ccccc1Cl 252593058 BISOAEKHCGVFAS-ONCLNOLOSA-N 442.009 6.280 30 10 IKEE Cc1cc(C=NNc2cccc3cccnc23)cc(C=NNc2cccc3cccnc23)c1O 252595364 CAJKUNQVRKQFLC-UHFFFAOYSA-N 446.514 5.689 30 10 IKEE C=CCSc1ccccc1NC(=O)CSc1nnc(-c2ccc3ccccc3c2)[nH]1 253561363 CAOOZVRFCWGADD-UHFFFAOYSA-N 432.574 5.634 30 10 IKEE CCOc1ccccc1C=Nc1sc2c(c1C(=O)Nc1ccccc1OCC)CCC2 254866959 YUNCRGUVZOMIDE-UHFFFAOYSA-N 434.561 6.037 30 10 IKEE CCOc1cc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(F)cc2)ccc1OC 526485265 DHKHPZFCGKETSC-XMMPIXPASA-N 444.462 5.162 30 10 IKEE CCOc1ccc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2ccccc2C#N)cc1OCC 526605925 GWXRKFZHTJZZKP-HSZRJFAPSA-N 446.528 5.474 30 10 IKEE CC(=O)Nc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)c1 526772407 IFOVRUVLPRQAQG-JOCHJYFZSA-N 446.890 5.081 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1c(O)ccc2ccccc12 526807332 VZXROHXPLXVPDK-QFEZKATASA-N 436.968 5.917 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2cccc(F)c2)c1 526808997 UGLYGWMYWMATFD-PKAZHMFMSA-N 430.552 5.685 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1cccc(Cl)c1Cl 526809236 YAZYUYOPPSPWKK-CFRMEGHHSA-N 433.408 6.410 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)Nc3cc(C)ccc3C)C2)c1 585880218 MGIASMKADPQIFD-HSZRJFAPSA-N 448.611 5.567 30 10 IKEE Cc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2ccc(OC(F)(F)F)cc2)cc1 586202239 HGSXVPQSSBYVOS-UHFFFAOYSA-N 446.450 5.161 30 10 IKEE Cc1cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)ccc1Br 698832622 RCPCYEMPVXCXAD-SFHVURJKSA-N 435.749 6.417 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C1 724088444 NMCVKBBOCQKDHR-MZNJEOGPSA-N 447.551 5.544 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 724090234 QRRQYOSYAWMJBY-BXKMTCNYSA-N 447.551 5.544 30 10 IKEE Cc1ccc(Sc2ccc(/C=C3/SC(=Nc4cccc(Cl)c4C)NC3=O)o2)cc1 1083909324 YYANKMWMRUVPMF-XDHOZWIPSA-N 440.977 6.593 30 10 IKEE O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 1084450977 XWEZWGZDTAQNOQ-VCHYOVAHSA-N 433.291 6.284 30 10 IKEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc2c(nc1O)CC[C@H](CC)C2 1136557648 MLIJXOCPBNDKGV-AWEZNQCLSA-N 447.348 5.032 30 10 IKEE CCN(C(=O)c1oc2c(c1C)C(=NNc1ccccc1)CC(C)(C)C2)c1cccc(C)c1 1772729654 ZKGGVYPZGZZRTG-UHFFFAOYSA-N 429.564 6.352 30 10 IKEE Cc1cc(C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c2ccccc2n1 1859650523 SUYYZOGPRKULAU-UHFFFAOYSA-N 429.479 6.594 30 10 IKEE CCCCCCCCNc1cc(N2CCN(CC)CC2)nc(-c2ccc(Cl)cc2)n1 1859788612 UKVLSKNHCVTHOT-UHFFFAOYSA-N 430.040 5.711 30 10 IKEE CCCCCCCCNC(=O)c1cc(CCc2ccccc2)n(-c2cccc(Cl)c2)n1 1862320052 XXUSWSJJBJCEBI-UHFFFAOYSA-N 438.015 6.401 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 1862396919 MCMPHOOFNDBANY-XMMPIXPASA-N 433.592 6.313 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCOc2ccccc2)c1 1862444047 WSQMYPIKOKDFEA-QHCPKHFHSA-N 447.918 5.306 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(OCCC)cc1 1862450885 RIPUQZZVEMBETO-QFIPXVFZSA-N 441.955 5.897 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCCC)cc1 1862451372 DFZFIRHFUFDKAC-JOCHJYFZSA-N 441.955 5.897 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1c(F)cccc1Cl 1862459866 FKYBAKOKPVFFOP-GOSISDBHSA-N 441.808 5.275 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccc(F)cc2)c1 1862490534 YAJFIMSQZYQPHE-DEOSSOPVSA-N 429.491 5.529 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCC2)c1 1862495042 JROXVNABWVHBQC-DEOSSOPVSA-N 433.548 5.613 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2cccc(C)c2)cc1 1862514045 DBMRIFHXTWQFFE-CYSDGLOUSA-N 447.575 5.941 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccc(O)cc2)cc1 1862530881 ZVIGBXDPNMMRSR-XDHUDOTRSA-N 427.500 5.294 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C2CC2)cc1 1862549331 MUAPHZPNAVRHOT-XMMPIXPASA-N 429.560 5.604 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2ccc(C)cc2)cc1 1862554532 FGLAOJDAXCIQMB-CJAUYULYSA-N 440.543 5.479 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(O)c2)=C(O)C(=O)N1Cc1ccccc1Cl 1862589004 BWIJIRLHSJQMKA-JOCHJYFZSA-N 433.891 5.133 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(F)cc1F 1862615431 KMOVPRPUSYNHQY-QKKBWIMNSA-N 427.491 5.639 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862660592 KMILZZDFSMIONH-DEOSSOPVSA-N 428.532 5.812 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 1862666386 CIHBERAOPNZJAD-MHECFPHRSA-N 433.592 6.484 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2ccc(Cl)cc2Cl)cc1 1862667986 NWVIKPUUZIUMKM-FQEVSTJZSA-N 448.346 5.078 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccccc2)cc1 1862687288 IQQSFFYQNIHHFI-AVRWGWEMSA-N 441.527 5.597 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccc(OC)cc2)cc1 1862689133 IYUKEYMWQHYSQI-XMMPIXPASA-N 449.547 5.395 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862718393 ZOSBFSFMERLUIH-QFIPXVFZSA-N 430.460 5.126 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1cccc(Cl)c1)c1ccc(-c2ccccc2)cc1 1862725671 OPXHHOWQDSILOP-QHCPKHFHSA-N 429.903 5.748 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(Nc2ccccc2C#N)=C(c2cccc3ccccc23)C1=O 1863230479 GLQZZKZORSXRML-KOSHJBKYSA-N 435.527 5.482 30 10 IKEE CC(C)(C)c1nc(Nc2ccc(C#N)cc2)cc(N2CCC[C@H]2Cc2ccc(Cl)cc2)n1 1868355372 HCWDKXBZDSEOTP-QFIPXVFZSA-N 445.998 6.254 30 10 IKEE C=CCN(CC=C)c1cc(N2C[C@H](C)Cc3c(C)ccc(C)c32)nc(-c2cccnc2)n1 1869367074 WBIAUDQOPCFABU-LJQANCHMSA-N 425.580 5.664 30 10 IKEE CCCCC1CCC(C(=O)Nc2c(C#N)nnn2Cc2ccc(Cl)c(Cl)c2)CC1 1870112138 QFRWMXFHRNHEAU-UHFFFAOYSA-N 434.371 5.440 30 10 IKEE C=CCn1cc(OCc2cc(=O)oc3ccc(C)cc23)c(=O)cc1CSc1ccccc1 1870215277 SMKHVOOWGXVGML-UHFFFAOYSA-N 445.540 5.320 30 10 IKEE CCCCn1cc(OCc2ccccc2)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870270359 JWPQDZUECNYHTH-UHFFFAOYSA-N 447.604 5.712 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(F)cc2)c(=O)cc1CN(C)CCCC 1870625846 VTMSTXLHJFHRJF-UHFFFAOYSA-N 430.608 6.159 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)OCCCC)c(=O)cc1CN1CCCC1 1870763748 QFSJVADRWMJYIV-UHFFFAOYSA-N 448.648 5.307 30 10 IKEE C=CCOc1cn(CCCCc2ccccc2)c(CNc2ccc(NC(C)=O)cc2)cc1=O 1870809446 CPTUSQBOTVUSBT-UHFFFAOYSA-N 445.563 5.007 30 10 IKEE C=CCOc1cn(CCc2ccccc2)c(CNc2ccc(N(CC)CC)cc2C)cc1=O 1870810253 UJRSNYQKEPNXDD-UHFFFAOYSA-N 445.607 5.423 30 10 IKEE CCCCCCCOc1cn(CCCCCC)c(CNc2ccc(Cl)c(C)c2)cc1=O 1870839549 PFUFBYXAXYNOOF-UHFFFAOYSA-N 447.063 7.352 30 10 IKEE Cc1cc(C)cc(OCCN2COc3cc(C)c4c(c3C2)O/C(=C\c2cccs2)C4=O)c1 1871347154 CQYIAVBDYPVQQT-QRVIBDJDSA-N 447.556 5.520 30 10 IKEE CCc1ccc([C@H](C)N2COc3c(cc4c(c3C)O/C(=C\c3cccs3)C4=O)C2)cc1 1871360077 NHNJTKDPYOXWGZ-ICODJCHTSA-N 431.557 6.148 30 10 IKEE O=C1/C(=C/c2cccs2)Oc2c1ccc(O)c2CN1CCC(Cc2ccccc2)CC1 1871395162 IOZHQCSCKXQBHW-JLPGSUDCSA-N 431.557 5.525 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCCOc4ccc(Cl)cc4)ccc3C2=O)cc1 1871413292 XQHYWMMLZNQCLR-IWIPYMOSSA-N 436.891 5.813 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(O[C@@H](C)C(=O)Nc3cccc(C)c3C)cc(C)c2C1=O 1871414947 YIUFEVTYXFIISV-FPJJECCMSA-N 447.556 6.004 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C)cc4C)cc(C)c3C2=O)cc1 1871418800 OBKGJFQJBVCSPE-CFRMEGHHSA-N 443.499 5.254 30 10 IKEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1871825991 ZDPFKPGZTNYJMK-HXUWFJFHSA-N 428.598 5.021 30 10 IKEE CCc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872759594 TVKMOUCLJFTRQJ-QHCPKHFHSA-N 438.552 6.295 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(OC(C)C)cc3)n2)cc1OC 1872761246 JEKCJOZJAPGFOF-LJQANCHMSA-N 436.533 5.033 30 10 IKEE N#C[C@@H](C(=O)/C=C/c1ccc(Cl)cc1Cl)c1nc(-c2ccc(Cl)cc2)cs1 1872766785 OPHIABNARGHZCE-YCOJEUHLSA-N 433.747 6.660 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)c3c(Cl)ccc(Cl)c3OC)n2)cc1 1872768035 IEIVWEGWJMHZSZ-CQSZACIVSA-N 447.343 6.014 30 10 IKEE COc1cc(OC)c(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)s3)n2)cc1Cl 1872783385 YPTHRODLCQMFML-SNVBAGLBSA-N 439.345 5.686 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)c2cccc(NC(C)=O)c2)n1 1872786406 JGTQWMOLRLQWKJ-GOSISDBHSA-N 439.924 5.229 30 10 IKEE C=CCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1ccc(Cl)cc1 1874247184 QRNIPSBXHDWBCV-LFVJCYFKSA-N 426.973 5.412 30 10 IKEE CCSc1nnc(CCCOc2ccccc2)n1/N=C/c1c(Cl)cccc1Cl 1874316846 NDOKOAXMDDAQBC-OEAKJJBVSA-N 435.380 5.591 30 10 IKEE CCCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874343024 VDLBNAWZVCKXQL-DHRITJCHSA-N 438.906 5.925 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2c(Cl)cccc2Cl)nnc1[C@H]1CCCO1 1874448930 OSRFBETVQHPQRS-QVHMZZSFSA-N 447.391 5.919 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc([C@@H]2CCCO2)n1/N=C/c1cccs1 1874449087 SRLAOHYXRRALCY-CTJICSLTSA-N 439.393 5.672 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(SCc2ccc(F)cc2)nnc1-c1ccco1 1874464418 IUMHVIHSWPDTPN-AFUMVMLFSA-N 436.512 5.639 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(Br)cc1 1874482379 BZYYWSMUHRHLAN-FSJBWODESA-N 447.377 5.652 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(C)(C)C)n2/N=C/c2cccc3ccccc23)c1 1874484418 VLRMQQJCCAUFTJ-JVWAILMASA-N 428.605 6.520 30 10 IKEE CC(C)COC(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1ccc(Cl)c(Cl)c1 1874485834 ONWVFIHQEYKARY-LSFURLLWSA-N 443.400 5.056 30 10 IKEE COc1ccc(OC)c(/C=N/n2c(CC(C)C)nnc2SCc2cc(C)ccc2C)c1 1874489694 GCRVVJIZUWAVNP-AFUMVMLFSA-N 438.597 5.285 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CCC2)c1 1874495932 MEAXBYKIVFPANU-ZVHZXABRSA-N 426.973 5.772 30 10 IKEE CCCc1nnc(SCc2ccccc2C)n1/N=C/c1c(OC)ccc2ccccc12 1874504420 QNGMGWJNIBNEGS-WGOQTCKBSA-N 430.577 5.875 30 10 IKEE C=C(C)CSc1nnc(CCC)n1/N=C/c1ccc(OCc2ccccc2)c(OC)c1 1874507819 WXBCYIJODIDIBS-MFKUBSTISA-N 436.581 5.369 30 10 IKEE Cc1cccc(C)c1OCCCc1nnc(S)n1/N=C/c1ccc(Cl)c(Cl)c1 1874568115 HUGAAXLUNYPKCK-FSJBWODESA-N 435.380 5.384 30 10 IKEE COC(=O)c1ccc(COc2c(/C=C/C(=O)c3ccccc3Cl)cccc2OC)o1 1874574880 KFRBPFDBLOBCJB-ZRDIBKRKSA-N 426.852 5.203 30 10 IKEE COc1c(Br)cc(Br)cc1/C=C/C(=O)c1ccc(Cl)cc1 1874577526 SBSOHEAVDUUICK-QPJJXVBHSA-N 430.523 5.770 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2c(C)cccc2C)c(OC)c1 1874587976 NQPBPICNOGKGSK-NTCAYCPXSA-N 445.515 5.234 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OCC(=O)N[C@H](C)c3ccccc3)c2)cc1 1874593253 ADXZTPXMSGLNPC-BENYOCTQSA-N 441.571 6.182 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1OCc1ccccc1Cl 1874596176 IFVBTPKDIDIAPY-UXBLZVDNSA-N 447.745 7.131 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OCC(=O)Nc1ccc(C)cc1 1874596512 XLXOAPJLLJXFEV-UKTHLTGXSA-N 429.516 5.534 30 10 IKEE COC(=O)c1ccc(COc2cccc(/C=C/C(=O)c3ccc(Cl)c(Cl)c3)c2)o1 1874596698 ZDZSTPFSNSKBCU-WEVVVXLNSA-N 431.271 5.848 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1cc(C)ccc1C 1874601783 CTAQXBVPPFNFAG-ZHACJKMWSA-N 447.487 5.704 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc4ccccc4c3)cc2)c(C)c1 1874602593 UVKHLKZKWWLSNO-MHWRWJLKSA-N 435.523 6.370 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1Cl)Nc1ccccc1 1874604033 RJRDLABUKKOQQV-GXDHUFHOSA-N 445.946 6.132 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Br)cc2)ccc1OCc1ccccc1C 1874608847 KAKLGCLURYSCOM-NTUHNPAUSA-N 437.333 6.241 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OCC(=O)N(CCC)CCC 1874613596 CQIFBGMKPULJCB-CCEZHUSRSA-N 435.564 5.347 30 10 IKEE COC(=O)COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1Br 1874615860 STTCJLNXARTMSK-QHHAFSJGSA-N 444.108 5.204 30 10 IKEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2ccc(OCCC)cc2)cc1OCC 1874617257 SGPPLXPMHJOYJS-NTUHNPAUSA-N 426.509 5.102 30 10 IKEE Cc1ccc(C)c(COc2ccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)cc2Cl)c1 1874620759 QYSSCISYVMMRLW-VMPITWQZSA-N 434.919 6.203 30 10 IKEE CCCOc1c(Br)cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1OCC 1874622793 VRYDBRCSDBMHOC-MDWZMJQESA-N 445.397 6.830 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1cccc(/C=C/C(=O)c2ccc(OC)c(C)c2)c1 1874696033 FQEXDGNVYIFGPD-WYMLVPIESA-N 446.499 5.283 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(F)cc2)c1)c1cccc(Br)c1 1874697491 ALPOAFVDEPKLKV-KPKJPENVSA-N 425.253 5.704 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2ccc(C)cc2C)cc1OC(=O)C1CCC1 1874702609 ZWNHSBWHZANBFG-CSKARUKUSA-N 443.337 5.676 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OC(=O)CC23CC4CC(CC(C4)C2)C3)c1 1874704188 BDDGVDVBBQODRM-BQYQJAHWSA-N 444.571 6.412 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1OC(=O)CC1CCCCC1 1874705874 DZYIEGFXBBXKRT-MHWRWJLKSA-N 434.576 6.765 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cccc(OC(=O)Cc3ccccc3)c2)c1 1874713327 QSCVYJMQXMZCAN-FYWRMAATSA-N 430.500 5.528 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)[C@H](C)c2ccccc2)c1 1874716398 PZVCBLYXGUCMAX-QFQMRYFISA-N 434.919 6.262 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(Cl)c(OC)c2)CSc2nnc(C)n21 1874829088 NVQPAJIMJUZZRH-SFHVURJKSA-N 437.009 5.311 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OC(=O)Cc1cccs1 1875095757 GAGJLAQJDSSCDI-XYOKQWHBSA-N 428.509 5.954 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1ccccc1OC 1875095887 MFJLOSAHDOBAQC-RVDMUPIBSA-N 438.479 5.972 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(OC)cc3)c(OC)c2)cc1 1875101403 NRXDCEIBKRGXPI-VIZOYTHASA-N 446.499 5.147 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3[N+](=O)[O-])c(Cl)c2)c(C)c1 1875131713 KSFIOSUJAQJQGQ-DHZHZOJOSA-N 449.890 5.909 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])cc1 1875135883 NFLHDLNDSDWHEA-XNTDXEJSSA-N 443.499 5.900 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)c(C)c3)cc2)cc1 1875136835 YUAUMDNPOWCIKK-VIZOYTHASA-N 432.491 5.967 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(Cl)c3)c([N+](=O)[O-])c2)ccc1F 1875142049 JBWQBMVFBKRNMX-WEVVVXLNSA-N 439.826 5.811 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(Cl)c1OC(=O)C(C)(C)C 1875155272 UDAZRMFLUKNPKG-BUHFOSPRSA-N 436.935 6.740 30 10 IKEE O=C(Cc1ccc(Cl)c(Cl)c1)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1 1875157738 MJKMIVLGRMDAON-UUILKARUSA-N 429.274 6.177 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)c3ccccc3)c(Cl)c2)c1C 1875168757 SQLWVTDEORUXRK-ZOXUKVPXSA-N 446.974 7.179 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3c(C)cc(C)cc3C)cc2[N+](=O)[O-])cc1 1875183083 JRUNWWIAWFHUQA-VZUCSPMQSA-N 445.471 5.644 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cccc(-c4ccccc4)c3)ccc21 1891131472 QZVDFKLCFWITNA-UHFFFAOYSA-N 426.516 5.544 30 10 IKEE COc1ccccc1OCC#CCNC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)cc1 1891679060 JLACAHDCOPIXDE-UHFFFAOYSA-N 440.326 5.481 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C=CC(=O)Cc2ccc(Br)cc2F)cc1 1911811361 SOZDJDSHXQDWQU-UHFFFAOYSA-N 434.305 5.760 30 10 IKEE CCCCCCCCC[C@@H](N)c1c(Br)sc(Br)c1Cl 1923074840 SDXCQDOOZYJUJB-SNVBAGLBSA-N 431.665 7.067 30 10 IKEE CC[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)CN1Cc1ccccc1 1942589395 JKKAUXKYWLVXOK-OFVILXPXSA-N 439.987 6.028 30 10 IKEE C#Cc1cccc([C@@H]2[C@@H](C(=O)O)CCN2C(=O)OCC2c3ccccc3-c3ccccc32)c1 1952798041 VCYNXYLDCJSMJU-AZGAKELHSA-N 437.495 5.065 30 10 IKEE CN(C(=O)OC(C)(C)C)C1([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)CC1 1978442102 MVOWBCZGONNCIS-KRWDZBQOSA-N 435.952 5.373 30 10 IKEE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)c2ccc(C(F)(F)F)cc2C#N)C1 2006277032 RLARLUFUWKSETA-UHFFFAOYSA-N 431.458 5.203 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@]1(C#N)C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21 2016128043 MRWVKHVRSCLJTD-VAWZGJIGSA-N 425.533 5.202 30 10 IKEE CC[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(OC)cc2)CN1Cc1ccccc1 2029759363 LVIYOWOFYIKDRY-QFQXNSOFSA-N 435.568 5.384 30 10 IKEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(C)c1 2045241860 UUWWOHDPBRCXQX-DFBJGRDBSA-N 443.588 5.666 30 10 IKEE CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2067956389 MUGXUIHKCCKANP-YADARESESA-N 447.551 5.495 30 10 IKEE CCCc1ccc([C@H](n2nc(C3CC3)c(C#N)c2I)C2(C)CC2)cc1 2079843716 IFNXFHHJJLOJAR-IBGZPJMESA-N 445.348 5.579 30 10 IKEE Cc1cc(O)c([C@H](C2CCC2)n2nc(C(C)(C)C)c(C=NO)c2Br)cc1C 2080022799 PBQZMNZYKWNSCW-SFHVURJKSA-N 434.378 5.463 30 10 IKEE CC(C)Oc1ccc([C@@H](n2nc(C(F)(F)F)c(C#N)c2Br)C(C)(C)C)cc1 2080062013 RBZGOQLQRCIIGM-MRXNPFEDSA-N 444.295 5.959 30 10 IKEE CCCOc1ccc([C@H](n2nc(C3CCC3)c(C=NO)c2Br)C(C)(C)C)cc1 2080063341 BTYJSMGFPAAHIR-FQEVSTJZSA-N 448.405 6.146 30 10 IKEE COc1cc(-c2c(C3CCCCC3)nn3c(Cl)c(C#N)cnc23)cc(C(F)(F)F)c1 2081473936 BNFBAZSKVLZDCI-UHFFFAOYSA-N 434.849 5.996 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1cc(C(C)C)ccc1NC(=O)OC(C)(C)C 2081773025 VIQXVGWKFORBFA-RUZDIDTESA-N 438.612 6.581 30 10 IKEE C=CCCCCCCCCC[C@@H](CN(Cc1ccccc1)C(=O)OC(C)(C)C)NCCC 2086280253 DFTGXNXPWKVTJS-SANMLTNESA-N 444.704 7.489 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2cc(Cl)cc(Br)c2)cc1 2088227279 HIPRYFRNXXKNNQ-GOSISDBHSA-N 435.749 6.417 30 10 IKEE Cc1sc(C)c([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)c1Br 2092953517 PWNDPXNXFBJHHY-INIZCTEOSA-N 441.435 6.652 30 10 IKEE C=CCN(CC[C@H](Cc1cc(Cl)ccc1Br)NCC)C(=O)OC(C)(C)C 2099287370 JFAZIXYMPYGGFU-QGZVFWFLSA-N 445.829 5.436 30 10 IKEE CC[C@H]1CC[C@H](Nc2cc(Br)c(C#N)cc2F)CN1C(=O)OC(C)(C)C 2105984117 VGUBIFIWZCPXSM-KBPBESRZSA-N 426.330 5.050 30 10 IKEE CCCc1ncc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)s1 2114348504 UXNVEVUKNRYIRF-OAHLLOKOSA-N 436.375 5.864 30 10 IKEE C[C@H](C[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1)C(F)(F)F 2121445342 QTRAPAFIMTVZLU-SJKOYZFVSA-N 435.284 6.061 30 10 IKEE CC(C)(C)OC(=O)N1CCCc2cc(Nc3cc(Br)ccc3C#N)ccc21 2162419184 CKBJJARWVXRDKQ-UHFFFAOYSA-N 428.330 5.752 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](CNc2cc(Br)ccc2C#N)CC12CCC2 2176862040 DVWVQIGJYYSXNJ-OAHLLOKOSA-N 434.378 5.302 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)CCC12CC2 2220216807 UFBHVASZRNFVDO-DEOSSOPVSA-N 445.535 5.393 30 10 IKEE C=CCN(CC[C@H](NCC)c1c(F)cc(F)cc1Br)C(=O)OC(C)(C)C 2225601378 DMMVRFQLRMWSMU-INIZCTEOSA-N 433.337 5.191 30 10 IKEE C=CCC[C@H](C)[C@H](NC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229111077 HOOPUPGBJHZBBP-IPELMVKDSA-N 425.411 5.075 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)cc1Cl 2230384113 QUTNOHJWEJFMEN-QZTJIDSGSA-N 443.813 5.450 30 10 IKEE CC(C)(C)C#CC=CCC(=O)c1cc(I)ccc1Br 2268763457 YIPMBUMITXSPNX-UHFFFAOYSA-N 431.111 5.232 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@H](N)C#Cc2ccccc2Cl)cc1Br 2277847156 AWVWENJMXPHVSS-QGZVFWFLSA-N 435.749 5.501 30 10 IKEE O=C1C(=Cc2cc(Br)c(O)c(Br)c2)Oc2ccc(Cl)cc21 2293497470 CJVGFLPKZPKSOT-UHFFFAOYSA-N 430.479 5.187 30 10 IKEE COCCCN1C(=O)C(=Cc2ccc(Br)s2)SC1=Nc1ccccc1 2293983540 HTFUJRNXZFWFNP-UHFFFAOYSA-N 437.384 5.151 30 10 IKEE Cc1c(Cc2ccc3c(c2)OCO3)sc(NC(=O)C=Cc2ccccc2Cl)c1C#N 2297476838 RTGLYNJVWOHQMS-UHFFFAOYSA-N 436.920 5.553 30 10 IKEE CCc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccccc2F)C4)cc1 2322057041 RMJJYEIFJTZIQG-UHFFFAOYSA-N 429.491 5.665 30 10 IKEE CCCCCCN1COc2ccc3c(c2C1)OC(=Cc1c(Cl)cccc1Cl)C3=O 2322083079 JOBYIIRDRXILDP-UHFFFAOYSA-N 432.347 6.342 30 10 IKEE CCn1cc(C=C2Oc3c(cc4c(c3C)OCN(CC(C)C)C4)C2=O)c2cc(OC)ccc21 2322353605 RXSDKDRQXFOPMG-UHFFFAOYSA-N 446.547 5.402 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccco1)C3=O)CN([C@H](C)c1ccc3c(c1)CCCC3)CO2 2322450203 XICVTGMSTXNXPF-GOSISDBHSA-N 441.527 5.996 30 10 IKEE O=C(C=Cc1c(OCc2ccccc2)ccc2ccccc12)c1cccc(Br)c1 2322457507 FQCVVALKAKYCHT-UHFFFAOYSA-N 443.340 7.077 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cc(Cl)ccc2OCc2c(Cl)cccc2Cl)c1 2322617371 LEHPSFHNFLVIQL-UHFFFAOYSA-N 445.773 7.739 30 10 IKEE Cc1cc(C(=O)C=Cc2c(OCC(=O)NC3CCCCC3)ccc3ccccc23)ccc1F 2322630949 SCNQRZDULABEEO-UHFFFAOYSA-N 445.534 6.011 30 10 IKEE COC(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccc(Oc2ccccc2)cc1 2322807133 HCLDYOMWFIHCEQ-UHFFFAOYSA-N 438.479 6.080 30 10 IKEE CCOc1c(OC)ccc(C=CC(=O)c2ccc(Br)cc2)c1Br 2323081507 HXHDBDUBXZXYBP-UHFFFAOYSA-N 440.131 5.515 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OCC(=O)Nc2ccccc2)c1 2323230416 VHLGYMSOVABUFQ-UHFFFAOYSA-N 443.543 5.906 30 10 IKEE CCCCCCCCCOc1ccc(C=NNc2nnc(C(C)(C)C)c(O)n2)c(Cl)c1 2323280067 ITDGPYMSTZQFGU-UHFFFAOYSA-N 448.011 6.104 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)c2ccccc12 2323330514 VUAMCTAKMJTFTH-UHFFFAOYSA-N 439.467 6.232 30 10 IKEE COc1ccc(CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C)cc2)C3=O)cc1OC 2323378825 APRUCCGZAKMLDU-UHFFFAOYSA-N 444.483 5.085 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccccc1Cl)C2=O)C(Cl)=Cc1ccccc1 2323438148 WPXQXLLWLYRCTI-UHFFFAOYSA-N 437.278 6.142 30 10 IKEE CCOc1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2cccs2)C3=O)cc1 2323511956 JSWNCUUPPKZWJI-UHFFFAOYSA-N 432.497 5.690 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OCc1nc(O)c2ccccc2n1 2323985389 OAGURUFRFVPTFR-UHFFFAOYSA-N 444.462 5.267 30 10 IKEE Cc1cc(O)c(CN2CCC[C@H](C)C2)c2c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O2 2324067704 DQSHWDMLJJRFHY-ZDUSSCGKSA-N 432.347 5.856 30 10 IKEE C=CCN(CC=C)Cc1c(O)cc(C)c2c1OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2324084638 WPRBMLIQFFIGKI-UHFFFAOYSA-N 430.331 5.798 30 10 IKEE CCN(CCc1ccncc1)Cc1c(O)ccc2c1OC(=Cc1ccccc1Cl)C2=O 2324088464 UAGIHMVZFKCOAI-UHFFFAOYSA-N 434.923 5.121 30 10 IKEE Cc1cc(O)c(CN2CCC(C)CC2)c2c1C(=O)C(=Cc1ccc(Br)cc1)O2 2324151885 AAPWHKNPPYIYFO-UHFFFAOYSA-N 442.353 5.311 30 10 IKEE O=C(C=Cc1ccc(OCc2c(Cl)cccc2Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 2324186286 SHSHOAFBNCUSJP-UHFFFAOYSA-N 446.261 6.516 30 10 IKEE C=CCOc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc1Br 2324220832 SPQRTTSQZJOCCV-UHFFFAOYSA-N 429.354 6.216 30 10 IKEE Cc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1ccccc1Cl)C2=O 2324406175 KKMPBVBLBVSZDB-MRXNPFEDSA-N 433.891 5.671 30 10 IKEE COc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1C)OC(=Cc1cccc(F)c1)C2=O 2324473764 CGCDUYLNSWGOMX-INIZCTEOSA-N 447.462 5.165 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc(OC)c1OCC(=C)C 2324521808 AAGMMCHBUBUCGH-UHFFFAOYSA-N 426.940 6.245 30 10 IKEE CCCOC(=O)COc1ccc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc1OCC 2324538432 IMZUQLBRMZPBHG-UHFFFAOYSA-N 446.927 5.284 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)ccc1OCc1ccccc1C 2324545114 HWTNPKLJZYLGMV-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE COC(=O)c1cccc(COc2ccc3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)c1 2324745053 FBSPQLQUUMPZJB-UHFFFAOYSA-N 428.484 5.792 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(F)cc3)n2)c(OCC)c1 2324765411 XXPZCGKBYDZKSV-HXUWFJFHSA-N 436.508 5.636 30 10 IKEE CCc1ccc(NC(=O)[C@H](CC)Oc2ccc3c(c2)OC(=Cc2ccc(C)cc2)C3=O)cc1 2324816691 MYUKMGNVHRPKHF-DEOSSOPVSA-N 441.527 5.970 30 10 IKEE N#Cc1cc(Br)c(NC(=O)C=Cc2cccc(Cl)c2)c(Br)c1 2325103616 FSIMEXDECGTODS-UHFFFAOYSA-N 440.522 5.389 30 10 IKEE Cc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(Cl)c(Cl)c1 2325631579 AHXMXFAFVWHQLZ-UHFFFAOYSA-N 427.360 6.221 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C)c(Cl)c4)ccc3C2=O)cc1 2325729220 POSNCXNQCPAJOU-UHFFFAOYSA-N 447.918 5.845 30 10 IKEE Cc1nnc(SCc2ccccc2)n1N=Cc1ccc(OCc2ccccc2)c(Cl)c1 2326211647 DOVOHSWYHUIFDU-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE Clc1ccccc1CSc1nnc(CCc2cccs2)n1N=Cc1cccnc1 2329667523 FLNKNXXTJMJMMR-UHFFFAOYSA-N 439.997 5.348 30 10 IKEE Clc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCCc2ccccc2)cc1 2330200004 KJLUPPQZWCYOGB-UHFFFAOYSA-N 447.007 5.934 30 10 IKEE CCCOc1ccc(C=Nn2c(Cc3cccs3)nnc2SCc2ccccc2)cc1 2330390323 LWOYCADVHAQSBK-UHFFFAOYSA-N 448.617 5.894 30 10 IKEE Cc1cccc(CSc2nnc(-c3cccs3)n2N=Cc2ccc(C(C)(C)C)cc2)c1 2330549352 PVVKXZDFMJBDEF-UHFFFAOYSA-N 446.645 6.787 30 10 IKEE Clc1ccc(C=Nn2c(SCc3ccccc3)nnc2-c2cccs2)cc1Cl 2330579220 HMXKFAUJEGUMMM-UHFFFAOYSA-N 445.400 6.488 30 10 IKEE O=[N+]([O-])c1cccc(C=Nn2c(SCc3ccccc3F)nnc2-c2ccccc2)c1 2330671430 QIJUXPURWVZCSH-UHFFFAOYSA-N 433.468 5.167 30 10 IKEE CCCOc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccc(F)cc2)cc1 2330812595 MBEBCBACBCJDJV-UHFFFAOYSA-N 440.588 5.969 30 10 IKEE Cc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCC(=O)N[C@@H](C)c2ccccc2)cc1 2330874543 QXRZFHRBYKICSQ-IBGZPJMESA-N 449.624 5.027 30 10 IKEE CCSc1nnc([C@H]2CCCO2)n1N=Cc1ccc(N(CC)Cc2ccccc2)cc1 2330944164 QLNRKEUPJXDVSF-JOCHJYFZSA-N 435.597 5.150 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3ccc(C)c(C)c3)c(OC)c2)cc1 2330954919 SPBKLYOCNLARHH-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CC(C)(C)C)c(Br)c2)cc1 2330967881 JFQGJPCKPWGIPY-UHFFFAOYSA-N 431.326 5.695 30 10 IKEE O=C(CSc1ccccc1)Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1Cl 2331092545 QFUOSWUBUFFYFZ-UHFFFAOYSA-N 444.886 6.212 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2ccc(Cl)c(Cl)c2)nnc1C(F)(F)F 2331155058 PMCDKCURQVROMD-UHFFFAOYSA-N 445.297 6.087 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccc(Cl)cc3)cc2)cc1 2331295614 IXTQFYXYOIJUMN-UHFFFAOYSA-N 448.946 6.563 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1N=Cc1ccccc1OC(C)C 2331337608 MGGZDKLPEMPNFK-UHFFFAOYSA-N 426.561 5.722 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(Br)c1OC(C)=O 2331505891 XTXCINYMYVSBEL-UHFFFAOYSA-N 431.326 5.793 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1 2331644408 BEFOXEBHEBUKMH-UHFFFAOYSA-N 442.555 6.363 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OC(=O)[C@H](C)c3ccccc3)c(Cl)c2)c1C 2331646841 SQLWVTDEORUXRK-OAQYLSRUSA-N 446.974 7.179 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OC(=O)C(C)(C)C)c(Br)c2)c1C 2331646975 OWKCCBBNEWSDOH-UHFFFAOYSA-N 443.381 6.530 30 10 IKEE COc1cc(C(=O)C=Cc2ccc(OC(=O)c3ccco3)c(OC)c2)c(OC)cc1Cl 2331693841 NYTJARIVPCNKRV-UHFFFAOYSA-N 442.851 5.074 30 10 IKEE COc1cccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C(C)C)c1OC 2331708035 PWZBKDZCHCYMCV-UHFFFAOYSA-N 430.961 5.247 30 10 IKEE CCOc1cc(C=NNc2oc(-c3cccs3)nc2C#N)ccc1OCc1ccccc1 2331938285 YILGFOHZNJWFKI-UHFFFAOYSA-N 444.516 5.698 30 10 IKEE C[C@@H](Nc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1)c1cc(Br)cs1 2339391322 SWCGDEQYSLBWRA-SNVBAGLBSA-N 443.603 5.031 30 10 IKEE C=C[C@](C)(CNCC(C)C)Cc1ccc(I)c(Br)c1 2349815958 HXUYYHISNFKDTM-INIZCTEOSA-N 436.175 5.034 30 10 IKEE COCc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)s1 2352344779 AOBMAPPWQHSPQA-MRXNPFEDSA-N 437.359 5.663 30 10 IKEE C=C(C)COc1cccc(NC(=S)NC(=O)c2ccccc2OCCCCCC)c1 9697476 CJQISILGFDRLIZ-UHFFFAOYSA-N 426.582 5.727 30 10 IKEE Cc1cc(C)nc(N/C(=N\C(=O)Nc2ccc(Cl)cc2)Nc2cnc3ccccc3c2)n1 14159402 HPAPCMBUWMZWPQ-UHFFFAOYSA-N 445.914 5.407 30 10 IKEE COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(N(C)C)cc2)C3)c1 21222931 YZZLFXQXKMUDBM-WTYVLRPYSA-N 439.559 5.741 30 10 IKEE CCc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(Oc3ccccc3)c2)cc1 21223772 RQQGGBYSRLYULO-DHLKQENFSA-N 437.539 6.046 30 10 IKEE Cc1ccc([C@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)c(C)c1 28632183 KNQJMCSHVHVPRN-KWXIBIRDSA-N 429.523 5.588 30 10 IKEE O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(Br)cc1 33409450 FDBMPPWRQYUEAE-RAXLEYEMSA-N 430.305 5.593 30 10 IKEE Cc1c(/N=N/c2ccc([N+](=O)[O-])cc2Cl)c(O)n([C@H](C)c2ccccc2)c(=O)c1C#N 39871466 BSGIPVOUCPAYNY-YSMKLKLISA-N 437.843 5.320 30 10 IKEE C=CCc1ccc(OCCCn2c(-c3cccc(Cl)c3)nc3ccccc32)c(OC)c1 40250446 BEIGRKLKAWPUAI-UHFFFAOYSA-N 432.951 6.563 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)c4cc(OC)cc(OC)c4)cc(C)c3C2=O)cc1 41292837 QKAUSXBHZJUIIS-MYKKPKGFSA-N 444.483 5.410 30 10 IKEE C=CCOc1ccc2ccccc2c1[C@H]1Nc2ccccc2C(=O)N1CCc1ccccc1 66133028 DJCITXWYLCYNEH-NDEPHWFRSA-N 434.539 6.214 30 10 IKEE CCOc1cc(/C=C/C(=O)Nc2ccccc2S[C@@H](C)CC#N)ccc1OC(F)F 97554358 FJRPWHGQXHDKID-GDXASINISA-N 432.492 5.733 30 10 IKEE CCCCCCCCCCCCCCCCNCC(=O)NCc1ccc(OC(C)C)cc1 100056129 OADGJIHSMGPQQD-UHFFFAOYSA-N 446.720 7.161 30 10 IKEE Cc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(C)c(Cl)c3)CC(=O)N2C)cc1Cl 100262579 SAVXSTUPKQEFBN-BJUXRVGASA-N 436.364 5.200 30 10 IKEE CCN1C(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)S/C1=N/c1ccccn1 101124045 REODKIAFDVOADB-AGEIGWASSA-N 449.963 5.938 30 10 IKEE CCCCCCCCn1c([C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)nc2ccccc21 102104983 CXNSUMFTAWGSMW-FQEVSTJZSA-N 447.579 5.689 30 10 IKEE CCCCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N/[C@@H](C)c1ccccc1 102150349 HVWLYJFUIWKEQN-VMGPWPNYSA-N 437.634 6.280 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccc(OC)cc2)cc1 169926468 OTCNSRXOSQUQFZ-XMMPIXPASA-N 427.500 5.349 30 10 IKEE CCOc1cc([C@@H]2NC(=S)N(CC)C3=C2C(=O)CCC3)cc(Cl)c1OCC(C)C 169933083 FTIINGQRYXWYIG-FQEVSTJZSA-N 437.005 5.032 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(Oc3cccc(C)c3)cc2)NC(=S)N1C 169934785 LVQMPAJEEUIPRD-DEOSSOPVSA-N 428.557 5.805 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2OC)c(C)c1 169944507 WAWKZRVKMLUKCC-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccc(O)cc2)c1 169960542 ACWCRVJXJNWGKI-JOCHJYFZSA-N 433.891 5.445 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccc(C(C)C)cc2)c1 169967552 WNBSSWVDQSHWNL-AREMUKBSSA-N 439.555 6.518 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(CC)cc3)[C@@H]2c2cccc(C)c2)cc1 169969266 AIQMAPVZPMXLEA-VWLOTQADSA-N 441.527 5.739 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2cccs2)cc1 169982963 QFIGMJNGGPXBIN-NRFANRHFSA-N 437.948 6.308 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccnc1 170009409 KBBVDYIVLPIMGV-FQEVSTJZSA-N 439.298 5.480 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccncc2)cc1 170016312 QGWYKDSFFDXMQM-DEOSSOPVSA-N 437.499 5.469 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccccc2C)ccc1F 170088197 DMFZMRGURFAWLV-JOCHJYFZSA-N 437.417 5.504 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2c2cccc(F)c2)c1 170140076 RTMMAIHPJFCMHD-DEOSSOPVSA-N 445.490 5.704 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccc(C)c2)c(C)c1 170140443 HRQOEWACGYZFQG-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1cccc(C)c1 170145813 GUADENFISMYBKH-QHCPKHFHSA-N 435.564 5.216 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(C)c2)cc1C(C)C 170148477 GOBQHMZFIJFXPV-VWLOTQADSA-N 447.575 5.956 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cccc(OCC)c1 170217712 JVWCBIUMBQMDHB-XMMPIXPASA-N 433.548 5.343 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccc2)cc1C 170222852 WDHYHTXFAUDPHC-XMMPIXPASA-N 445.490 5.706 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2)cc1C(C)C 170226124 BVJCKOBFQKZTEN-RUZDIDTESA-N 441.527 5.910 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccccc2)c1 170227879 GINJAYKBMVIQCQ-RUZDIDTESA-N 435.479 5.637 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1Cc1cccs1 170269802 OLKOAQDIQWFMEZ-HSZRJFAPSA-N 447.556 5.622 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2Cc2ccc(F)cc2)o1 170311274 FXHGPKSRHFKAKU-QHCPKHFHSA-N 449.478 5.293 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1c(C)[nH]c2ccccc12 170312336 HRLKPCUOCBPCKT-XMMPIXPASA-N 444.575 6.071 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1c(C)[nH]c2ccccc12 170312352 JOBZYGQSZSWCJW-XMMPIXPASA-N 446.547 5.560 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(O)cc1)c1ccccc1 170341239 WPAJGXUECOBNOX-HXUWFJFHSA-N 439.389 5.194 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2cccc(OC)c2)cc1 170451937 LEQWCPDFCWFTOT-DEOSSOPVSA-N 436.552 5.057 30 10 IKEE CC(C)Oc1ccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2CCc2ccc(F)cc2)cc1 170474215 XWAOJXBIFJMORS-QFIPXVFZSA-N 439.527 5.166 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(C(=O)OC)cc1O 170505837 UBLAGKUQYANTDB-UHFFFAOYSA-N 433.633 7.379 30 10 IKEE CCOc1ccc2c(c1)O/C(=C/c1cccc(OC(=O)c3ccc(C(C)(C)C)cc3)c1)C2=O 210087832 GDLKCMYYZKBTFU-PCLIKHOPSA-N 442.511 6.218 30 10 IKEE CCCCCCCCCOc1ccc(C[C@@H]2CN(CC)CC[C@H]2O)cc1Br 243403073 MOETUNROMRYCEF-IFMALSPDSA-N 440.466 5.824 30 10 IKEE COc1ccc(N=C2S/C(=C/c3ccc(OCc4ccccc4F)cc3)C(=O)N2C)cc1 252607171 GYWBLQYMNLXOHM-ZRAGWZJNSA-N 448.519 5.647 30 10 IKEE COc1ccc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccc(C(=O)O)cc3)C2=O)cc1 254289879 LSXATXKKAPZBLS-JXJWTFEASA-N 444.512 5.198 30 10 IKEE COc1ccccc1-n1c(=S)ssc1=NC(=Nc1ccccc1)c1ccccc1 254764639 WZPNTZCQCFDFLM-UHFFFAOYSA-N 435.599 6.018 30 10 IKEE C=CCN(C[C@H](Cc1ccc(Br)cc1Cl)NCC)C(=O)OC(C)(C)C 406109140 GZJCGHOLRWKKRQ-INIZCTEOSA-N 431.802 5.046 30 10 IKEE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2sccc2C)c1 526490771 PLGQGDDYTCTONN-NRFANRHFSA-N 432.501 5.003 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3cccc4ccccc34)[C@@H]2c2ccc(O)c(O)c2)c1 526523039 ZESFENOZRIYATN-VWLOTQADSA-N 434.451 5.180 30 10 IKEE CCOc1ccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1Cl 526606661 IJPHVSTVCOJXIX-HSZRJFAPSA-N 448.881 5.807 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccc(OCC)cc1 526817625 RBZOZPJZQWNHTA-CFRMEGHHSA-N 432.952 5.596 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1ccc(OC)c(OCC)c1 526825895 OEXXEKWGDUAKBH-MYYYXRDXSA-N 442.560 5.342 30 10 IKEE CCCCCCCCCC/C=C/[C@@H]1CC(=O)N(CCC[N+](C)(C)Cc2ccccc2)C1=O 575629762 LRCMLWDZKDANJH-YNZBZNKJSA-N 441.680 6.115 30 10 IKEE N#Cc1cccc(C(=O)Oc2cccc(NC(=O)NCc3cccc(C(F)(F)F)c3)c2)c1 586547386 CPEKIOPXZNBBRC-UHFFFAOYSA-N 439.393 5.118 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@](C)(C#N)Cc1ccccc1F 698447282 SWZJJIWHKIMTOK-NRFANRHFSA-N 433.321 5.855 30 10 IKEE CCOc1ccc([C@H](C)NC(=O)/C=C/c2cn(CCC#N)c3ccccc23)cc1OCC 1087351840 VQEWPBGCHZEUGU-XUDAUXSOSA-N 431.536 5.243 30 10 IKEE O=C1/C(=C\c2ccc(Cl)cc2)SC(=Nc2cccnc2Cl)N1c1ccccc1 1772732380 DTSDFDIKYWQMEG-MRKXPFMVSA-N 426.328 6.197 30 10 IKEE C/C(=C1\SC(=Nc2cccc(C(=O)O)c2)N(c2ccccc2)C1=O)c1ccc(Cl)cc1 1772734675 GFJHSECZKYDYJV-LLLXPECQSA-N 448.931 6.237 30 10 IKEE CCCCCCCCCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(=O)cc1O 1859577779 NRRCHYOABNHMEN-UHFFFAOYSA-N 440.371 5.115 30 10 IKEE N#Cc1cnn(-c2ccc3ccccc3n2)c1NC(=O)CCCc1ccc2c(c1)CCCC2 1859649651 ZYCMBVUYFZVHBH-UHFFFAOYSA-N 435.531 5.132 30 10 IKEE N#Cc1cnn(-c2ccc3ccccc3n2)c1NC(=O)C1(Oc2ccccc2)CCCCC1 1859742274 ZHSUTCNBCYYISQ-UHFFFAOYSA-N 437.503 5.013 30 10 IKEE CC[C@@H](C)N(C(=O)c1ccc(F)c(F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1859899390 NNBWTQKBAYLJQG-SNVBAGLBSA-N 425.319 6.448 30 10 IKEE COc1cc(/C=N/NC(=S)NC(C)(C)CC(C)(C)C)ccc1OCc1ccccc1 1860499865 YXDNVMNPJZMJOT-MFKUBSTISA-N 427.614 5.287 30 10 IKEE CCCCCCCCNC(=O)[C@H]1CCCN1C(=O)Cc1cc(Cl)ccc1SC 1860978639 KPCRRMWTTJOGFG-LJQANCHMSA-N 425.038 5.072 30 10 IKEE CCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1 1861426568 HQODBOXCDUGMRH-DEOSSOPVSA-N 446.595 5.311 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](C)NC(=O)COc1ccc(Cl)cc1Cl 1861672007 JUUKHEDXFWMPMW-INIZCTEOSA-N 431.404 5.134 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2Cl)=C(O)C(=O)N1C[C@@H]1CCCO1 1862380039 RMUCHWKZXPUBTH-YWZLYKJASA-N 446.330 5.059 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C2CC2)cc1 1862383425 OPIUGDJZPFHBRK-FQEVSTJZSA-N 444.358 6.032 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(OCC)cc1 1862383512 LPVWRLLDWBYJSZ-FQEVSTJZSA-N 448.346 5.771 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@H]2c2c(F)cccc2Cl)cc1 1862396595 IZLVYELBOJCUAC-QFIPXVFZSA-N 443.946 6.200 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccccc1F 1862457231 LKADZVMWSTVDIZ-NWXLUKJOSA-N 447.428 5.400 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc(F)c2)cc1 1862473354 ANMFAPRBWJNWBG-AVRWGWEMSA-N 443.518 6.036 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862478645 NAIHNXZNDBLMGE-DFBJGRDBSA-N 441.527 5.733 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2cccc(Cl)c2)c1 1862491476 USLBGCIKIJFSOG-DEOSSOPVSA-N 449.978 6.426 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccccc2)c1 1862506826 BEIFCKLEQQNTLY-DEOSSOPVSA-N 429.491 5.529 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccccc2F)ccc1F 1862508022 XKUFUZNKSLTNMH-HSZRJFAPSA-N 433.454 5.094 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccccc1Br 1862510114 WUYOWCUWVOCMRD-IBGZPJMESA-N 446.316 5.275 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccc(CC)cc2)cc1 1862530798 YGORMFUDHVDDJF-NIYFSFCBSA-N 439.555 6.151 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@H]1c1ccccc1)c1ccc2c(c1)CCCC2 1862543557 JXADCUBRBRKYEN-SANMLTNESA-N 443.587 6.257 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2cccc(F)c2)cc1 1862556263 RZVAXRYPKQFBLR-GYCJOSAFSA-N 444.506 5.310 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1cccc(Cl)c1 1862569412 MHMPQCQODKCRAX-NRFANRHFSA-N 443.927 5.126 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2Cc2cccnc2)c1 1862612808 APBJXFVOVLFMDR-XMMPIXPASA-N 440.543 5.466 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccccc2Cl)cc1 1862661414 PXGGLRQLTKMWLG-DEOSSOPVSA-N 445.946 6.242 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc(Cl)c1 1862675794 UGTYMRQSZOTIGY-IVZQSRNASA-N 435.882 5.819 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(OC)c(OC)c1 1862681921 IWIPMEOJECYIEN-QFIPXVFZSA-N 441.499 5.002 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2ccccc2C)cc1 1862687950 RYIXACXJTXSJGM-DEOSSOPVSA-N 427.500 5.091 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccccc2C)cc1 1862713536 QNTYSFQOEMYXMC-HHHXNRCGSA-N 447.534 6.235 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccccc1F 1862724503 NXMKUKVYWUKUCK-XMMPIXPASA-N 429.491 5.871 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)O 1866029618 VZGRHFGXIIUPGQ-VWLOTQADSA-N 449.651 7.199 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC[C@@H](Oc3ccccc3)C2)nc(-c2ccccc2)n1 1869214065 LVWNBIVHDIKVJD-XMMPIXPASA-N 426.564 5.370 30 10 IKEE Cc1ccc(OCCCC(=O)Nc2c(C#N)nnn2-c2cc(C(C)C)cc(C(C)C)c2)cc1 1870145726 MNFHXJLAVVEMLI-UHFFFAOYSA-N 445.567 5.492 30 10 IKEE Cc1ccc(Cl)cc1-n1nnc(C#N)c1NC(=O)c1c(Cl)ccc(Cl)c1Cl 1870154172 OENUUHVHHGVPNQ-UHFFFAOYSA-N 441.105 5.313 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2c(Cl)ccc(Cl)c2Cl)cn1CC 1870431048 OQHLFEDUIPKANM-UHFFFAOYSA-N 441.786 5.581 30 10 IKEE CCCCCCCOc1cn(CCN(CC)CC)c(CNc2ccc(F)c(F)c2)cc1=O 1870837578 NEXFHJRXUKLFGD-UHFFFAOYSA-N 449.586 5.430 30 10 IKEE C=CCn1cc(OCC(=O)OCCCCC)c(=O)cc1CNc1ccc(C(C)(C)C)cc1 1870843735 CVIOELKTFRTBHV-UHFFFAOYSA-N 440.584 5.056 30 10 IKEE C=CCn1cc(OCCCCOc2ccccc2)c(=O)cc1CNc1cc(C)cc(C)c1 1871223944 KYBPUWAYGLXIEL-UHFFFAOYSA-N 432.564 5.501 30 10 IKEE CCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(OC)cc1 1871254478 XRSGPIHNTGRLIR-UHFFFAOYSA-N 431.536 5.110 30 10 IKEE Cc1c(OC(=O)/C=C/c2ccc(F)cc2)ccc2c1O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871366111 SKNHPUCIWJZPOI-YOVYXIJGSA-N 442.486 6.493 30 10 IKEE Cc1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1 1871366586 HIXNPFGMQHZOPQ-BVRFCPFQSA-N 438.523 6.662 30 10 IKEE Cc1cc(O[C@H](C)C(=O)OC(C)C)cc2c1C(=O)/C(=C/c1cccc(Br)c1)O2 1871400800 LPGDOUCUKRLESI-SAGYFLTASA-N 445.309 5.093 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(F)c(F)c2)cc2c1C(=O)/C(=C/c1ccccc1F)O2 1871443436 QIEATMHNKLSJGJ-NKVSQWTQSA-N 439.389 5.046 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2C)C3=O)c1 1871453982 BXPWQNRQTPKGSY-OYKKKHCWSA-N 427.500 5.554 30 10 IKEE CCN(CC)C(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 1871461074 ULHQKDXZHVNBSN-UQQQWYQISA-N 441.527 5.525 30 10 IKEE CCCCCCCCN=c1nc(N2CCCCCC2)[nH]c(=Nc2ccc3cc[nH]c3c2)[nH]1 1871588190 UPTSQBDANIUGPV-UHFFFAOYSA-N 435.620 5.093 30 10 IKEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1ccc(F)cc1 1871827017 DNQWLJVATVNOLD-QHCPKHFHSA-N 446.588 5.152 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(Cl)cc1)C(C)C)S(=O)(=O)c1c(C)cc(C)cc1C 1871869156 VHQIANJMPACWTR-NRFANRHFSA-N 449.016 5.105 30 10 IKEE COc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(F)cc3F)cs2)cc1 1872767482 SPMBGLNTTOMHJE-GOSISDBHSA-N 428.460 5.132 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)CCOc2ccccc2)n1 1872777896 YXHBQLYMWRKOKY-HXUWFJFHSA-N 434.561 5.762 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@H](C#N)C(=O)CCCOc2ccccc2)n1 1872786636 ORYGZDLJQKDWQK-GOSISDBHSA-N 440.952 5.816 30 10 IKEE N#C[C@@H](C(=O)CCCOc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)s2)cs1 1872789430 IVIGFIBLTYSFEG-AWEZNQCLSA-N 437.373 6.214 30 10 IKEE CCCCCCCCN=c1nc2c(cnn2-c2ccccc2)c(Nc2ccc(C)cc2C)[nH]1 1873478318 RBXHTLDSGJBQNG-UHFFFAOYSA-N 442.611 6.370 30 10 IKEE C=CCn1c(C(=O)Nc2ccccc2CC)cc2c(NCc3ccc(OC)cc3)ncnc21 1873636443 PFQDNTDRHWJTMJ-UHFFFAOYSA-N 441.535 5.053 30 10 IKEE C=C(C)CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccccc1C 1874217298 FXOZVOKMSMVZKT-BRJLIKDPSA-N 441.000 5.986 30 10 IKEE CCCSc1nnc(COc2ccccc2OCC)n1/N=C/c1ccc(Cl)cc1 1874243304 YFUPZNGNLPPXJO-OEAKJJBVSA-N 430.961 5.294 30 10 IKEE C=CCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1cn(C)c2ccccc12 1874256391 YQUCISWXENQRKL-VULFUBBASA-N 445.592 5.434 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccccc1O 1874337786 ZHFWDXBOFZSQMF-CVKSISIWSA-N 448.979 5.711 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3C)n2/N=C/c2sccc2C)cc1 1874360162 RMQKBOACSTWMMK-WGOQTCKBSA-N 446.645 6.225 30 10 IKEE COc1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2)cc1 1874379854 QCFFNSUMEBPNNY-WGOQTCKBSA-N 432.524 5.191 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1cccs1 1874393342 JSZSWXXBHUGEFK-BRABVMKYSA-N 449.561 5.574 30 10 IKEE Clc1cccc(CSc2nnc(CCc3ccccc3)n2/N=C/c2cccnc2)c1 1874404418 WYWZWVBNRRKJKE-WGOQTCKBSA-N 433.968 5.286 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2ccccc2C(=O)O)cc1 1874415258 GZATXTQYXUOBSN-WGOQTCKBSA-N 442.544 5.050 30 10 IKEE COC(=O)c1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2-c2cccs2)cc1 1874421975 NWFJMXJSXJNGSL-ZVHZXABRSA-N 448.573 5.276 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2-c2cccs2)cc1O 1874424311 FFUBPSQJUHMOLZ-SSDVNMTOSA-N 442.953 5.246 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2[C@H]2CCCO2)cc1 1874446150 ULATUEIHOZXPSR-PFRKPPGBSA-N 441.000 6.081 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2-c2ccco2)cc1 1874466800 BSEOYDRPZURGJS-WGOQTCKBSA-N 446.576 6.118 30 10 IKEE CCSc1nnc(C2CCC2)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874492734 BNBPUYAOMJEBIO-ZVHZXABRSA-N 426.973 5.772 30 10 IKEE Fc1ccc(COc2ccc3ccccc3c2/C=N/n2c(S)nnc2-c2ccco2)cc1 1874559791 OYOTXPFZJFRDAT-VULFUBBASA-N 444.491 5.580 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccccc2OCC(=O)N[C@@H](C)c2ccccc2)c1C 1874587151 YBLILSJUOXJAQR-TVXVBNPNSA-N 441.571 6.073 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2C)cc1Cl 1874590976 ZGZQHYNRSYFPEM-FMIVXFBMSA-N 449.934 5.879 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OCC(=O)Nc2ccccc2)c1 1874598116 VHLGYMSOVABUFQ-FYWRMAATSA-N 443.543 5.906 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2ccc(OC)cc2)cc1Cl 1874609302 JTGRUIZPLGDVFZ-RIYZIHGNSA-N 449.934 5.825 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OCc2ccccc2C)c(Br)c1 1874611298 GECLSYRKWFOJEZ-ACCUITESSA-N 437.333 6.241 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1Cl)Nc1ccccc1 1874613302 NMJLXWZZELGKTP-WUXMJOGZSA-N 426.299 5.907 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OCC(=O)Nc1ccc(C)c(C)c1 1874618543 HCIMFJJSPIJPTP-FMIVXFBMSA-N 443.543 5.842 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c(OCC)c1 1874632203 QBQZTINPIUVRAP-CXUHLZMHSA-N 447.487 5.867 30 10 IKEE Cc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(Br)cc3)c2)cc1 1874697145 ORQXMDPJBJDUTP-NTEUORMPSA-N 435.317 5.802 30 10 IKEE CCCc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C)cc3C)c2)cc1 1874701877 CAWHHRVOZIDZKD-FOWTUZBSSA-N 428.528 6.136 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1OC(=O)[C@@H](C)c1ccccc1 1874704238 DOUXBZNXLQTSMF-BPOBUFBUSA-N 430.500 5.617 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OC(=O)c1cccc([N+](=O)[O-])c1 1874708054 KGGPBBRUZRATSF-NTUHNPAUSA-N 445.471 5.842 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2)cc1 1874709377 CQVQKOVIQKPOJC-AWNIVKPZSA-N 449.890 6.487 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccccc2OCC)CSc2nnc(CC)n21 1874835396 RZMXLWLZBDKGOC-LJQANCHMSA-N 430.618 5.301 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccccc2OC)CSc2nnc(CCC)n21 1874867642 WZBICNYQNJHJPT-LJQANCHMSA-N 430.618 5.301 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 1875097514 OGRUAKAUUOWZIR-WLRTZDKTSA-N 445.446 5.728 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)c1cccs1 1875112213 XEDNQQBSRFVEIL-MDZDMXLPSA-N 447.339 6.569 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3Cl)c([N+](=O)[O-])c2)cc1 1875114606 XWJSWWRUURGTSE-WUXMJOGZSA-N 437.835 5.372 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1 1875117307 AMPNQXBDLWZFPM-MDWZMJQESA-N 427.283 6.117 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3OC)cc2[N+](=O)[O-])c1 1875119283 MQEVZSTYIKQKTK-ACCUITESSA-N 447.443 5.117 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Br)c1OC(C)=O 1875157419 XTXCINYMYVSBEL-IZZDOVSWSA-N 431.326 5.793 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccccc2)cc1 1875168384 ZSWSFTOQDULKJF-FMIVXFBMSA-N 427.283 6.117 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc([N+](=O)[O-])c1OC(=O)C(C)(C)C 1875183767 RMAPSWUAUOWOOW-MDZDMXLPSA-N 439.508 5.766 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3cccc(C)c3)c(Cl)c2)cc1C 1875187999 LHRVXMOUURQUPK-CSKARUKUSA-N 434.919 6.389 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)Nc3c(Cl)cccc3Cl)ccc21 1891062230 CTZHNCAXZVFRFV-UHFFFAOYSA-N 434.323 5.575 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1C[C@H]2CC[C@H]1N(C(=O)OC(C)(C)C)C2 1922085219 HCXYXZLBFAFURU-YCAMKHIRSA-N 428.617 5.163 30 10 IKEE CC(C)(C)OC(=O)N(CCNc1cc(Br)cc(C#N)c1)OCc1ccccc1 1955808762 IYVYFBBRRQFUDG-UHFFFAOYSA-N 446.345 5.102 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](Cc1cccs1)NC(=O)OC(C)(C)C 2004743767 FMGCZLWWCPBISI-GOTSBHOMSA-N 444.641 5.325 30 10 IKEE C=CCCCCCC[C@@H](NCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2026015766 WLXKEJWXAPATMD-QPTUXGOLSA-N 432.649 5.990 30 10 IKEE O=C(C=Cc1c(-c2ccc(Br)cc2)nc2sccn12)c1ccccc1F 2040744329 LEQPJZMHNPJLKR-UHFFFAOYSA-N 427.298 5.861 30 10 IKEE Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)C=Cc1c(F)cccc1Cl 2041466181 QMBOIQDSHDSPTQ-UHFFFAOYSA-N 436.313 7.552 30 10 IKEE Cn1c(=O)c(C(=O)C=Cc2nc3ccccc3[nH]2)c(-c2ccccc2)c2ccc(Cl)cc21 2042436741 ZAPGQGLSZPGISM-UHFFFAOYSA-N 439.902 5.631 30 10 IKEE C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2076325112 ICUGGMFFGCOQFG-DFBJGRDBSA-N 449.636 5.876 30 10 IKEE Cc1cc(C)c([C@@H](n2nc(C(C)(C)C)c(C=NO)c2Br)C(C)(C)C)c(C)c1 2079843153 DKCHSAABRILCFH-LJQANCHMSA-N 434.422 6.312 30 10 IKEE CCCOc1ccc([C@H](C)n2nc(C(C)(C)C)c(C#N)c2I)cc1 2080073689 WBHCTOVHJNVYJD-ZDUSSCGKSA-N 437.325 5.055 30 10 IKEE CC(C)Oc1ccc([C@H](C)n2nc(C3CCC3)c(C#N)c2I)cc1 2080119901 RYELKJIBMKXGKS-ZDUSSCGKSA-N 435.309 5.023 30 10 IKEE Cc1nn(-c2ccccc2)c2c1C(Cl)=C(/C=N/C(c1ccccc1)c1ccccc1)CC2 2080385388 DTAOJWUIDGYUKT-NDZAJKAJSA-N 437.974 6.937 30 10 IKEE CN(CCN(Cc1ccccc1)[C@@H]1CC(C)(C)C[C@@](C#N)(NC2CC2)C1)Cc1ccccc1 2127174932 WXIOQTPDXNVUBZ-PXJZQJOASA-N 444.667 5.214 30 10 IKEE CCCCCCCCCC[C@H](NN)c1csc(Br)c1Br 2150362688 OESLOMHWKFBXNW-ZDUSSCGKSA-N 426.262 6.308 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CCC[C@@H](Nc3cc(Br)c(C#N)cc3F)[C@H]1CC2 2162324512 VRARYPMJJXTFMJ-FDQGKXFDSA-N 438.341 5.192 30 10 IKEE CCC[C@]1(CNc2cc(Br)cc(C#N)c2)CCCN(C(=O)OC(C)(C)C)C1 2162414829 MFJBXKLVTRIEEV-OAQYLSRUSA-N 436.394 5.550 30 10 IKEE Brc1sc(C[C@@H]2CCC[C@@H]3O[C@H]23)c(Br)c1Br 2212264684 CITCWAGKZGISBF-JFWOZONXSA-N 430.987 5.146 30 10 IKEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1sc(C)c(Br)c1C 2226503511 OFNMJLHNEKIUHP-HNNXBMFYSA-N 444.439 5.271 30 10 IKEE O[C@H](C#Cc1ccccc1Br)c1ccc(Br)c(Br)c1 2227475412 VNSKABXCQNVWTO-OAHLLOKOSA-N 444.948 5.059 30 10 IKEE CC1(C)OB(c2ccc(C(=O)N(Cc3ccccc3)C3CCCCC3)s2)OC1(C)C 2247865176 QNKSKEPNJKNBKG-UHFFFAOYSA-N 425.403 5.022 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)[C@@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2258100339 HFVFBHZUPXQLOR-PGCJZILSSA-N 447.620 5.532 30 10 IKEE Cc1ccc(Oc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)c(C)c1NC(=O)OC(C)(C)C 2265855122 OYCXSELKVRQUIE-UHFFFAOYSA-N 440.349 5.137 30 10 IKEE CC(C)(C)OC(=O)NCCCc1cccc(Nc2c(Br)cccc2C#N)c1 2285234276 NMUSXWWGRGXLMP-UHFFFAOYSA-N 430.346 5.522 30 10 IKEE N#C[C@@H](C(=O)c1cc(Br)c(Cl)s1)c1ccc(Br)c(F)c1 2287128618 MWABZRUNGIBKQP-SSDOTTSWSA-N 437.515 5.556 30 10 IKEE C=C(C)CCCC[C@@H](NC)[C@@](C)(O)c1cc(Br)c(Br)s1 2287390789 TYRPAPAAQBUCPA-IUODEOHRSA-N 425.230 5.205 30 10 IKEE C=CCn1c(C)c(C=C2SC(=Nc3ccccc3)N(CCOC)C2=O)c2ccccc21 2294025308 DDVJBTBRYMYXOR-UHFFFAOYSA-N 431.561 5.386 30 10 IKEE Cc1ccccc1CN1C(=O)[C@](O)(CC(=O)C=Cc2ccccc2)c2cc(Cl)ccc21 2294377336 VBOAJZKGULBSLR-SANMLTNESA-N 431.919 5.055 30 10 IKEE Cc1cccc(N2C(=O)C(=C3Sc4ccccc4N3C)SC2=Nc2ccc(O)cc2)c1 2295182091 ZRGPRCMJWHCLBQ-UHFFFAOYSA-N 445.569 5.879 30 10 IKEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@H](CC=C(C)C)NC(=O)OC(C)(C)C 2296273522 PKJAAKGKDDMVSW-PMACEKPBSA-N 435.406 5.028 30 10 IKEE CN[C@H](C#Cc1ccc(Br)cc1)c1cc(C)ccc1NC(=O)OC(C)(C)C 2296289882 WRTVWPLRTBMDIW-LJQANCHMSA-N 429.358 5.417 30 10 IKEE COc1cccc(COc2ccc3c(c2)OC(=Cc2cn(C)c4ccc(OC)cc24)C3=O)c1 2296872154 WZAIHFAOJMPCHQ-UHFFFAOYSA-N 441.483 5.391 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)OC(C)(C)C 2298230026 HPEACXAWAYFCPA-XQUALCHDSA-N 428.617 5.306 30 10 IKEE CC(C)(C)OC(=O)NC1([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)CCCC1 2302601425 OSBFULGBSFDWBT-SFHVURJKSA-N 433.524 5.297 30 10 IKEE Cc1ccc(C=CC(=O)c2ccc(OC(=O)N(c3ccccc3)c3ccccc3)cc2)cc1 2314429333 DSIBXNBCEFOPRQ-UHFFFAOYSA-N 433.507 7.228 30 10 IKEE O=C1C(=Cc2ccc(Cl)c(Cl)c2)Oc2cc(OCc3c(F)cccc3Cl)ccc21 2314437295 IJUFPJFNDMMSKS-UHFFFAOYSA-N 449.692 6.981 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1ccccc1Br)C2=O)c1ccccc1 2314437302 IOSAFSKCJNOARJ-UHFFFAOYSA-N 435.273 5.327 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cccc(OCc2ccccc2)c1 2314460817 OMNHGVQTFMNRPZ-RPBOFIJWSA-N 436.596 5.613 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCCC)c2ccc(OCc3ccccc3)cc2)C1 2314468235 SIXNWLOTLOMGIG-XMMPIXPASA-N 436.596 5.920 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=Nc1cccnc1 2314541532 NMKJKTJSOZQFGC-UHFFFAOYSA-N 432.461 5.040 30 10 IKEE Cc1csc(N=C2SC(=CC(Cl)=Cc3ccccc3)C(=O)N2C2CCCCC2)n1 2314544031 RNWMDWADDUITQQ-UHFFFAOYSA-N 444.025 6.511 30 10 IKEE O=[N+]([O-])c1cccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C2CC2)c1 2320892218 FFBACZVOOVRRRH-UHFFFAOYSA-N 448.335 5.545 30 10 IKEE CCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1cccc2[nH]ccc12 2321817168 ZZHSTHLBJWLBKR-UHFFFAOYSA-N 431.609 6.184 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCc4ccc([N+](=O)[O-])cc4)c3C)C2=O)cc1OC 2321850207 XKHXENIJAOUSSL-UHFFFAOYSA-N 447.443 5.116 30 10 IKEE Cc1ccc(Cc2nnc(S)n2N=Cc2ccc(OCc3ccccc3F)cc2)cc1 2321968296 JCUNZWWLAPMZHT-UHFFFAOYSA-N 432.524 5.066 30 10 IKEE C[C@H](c1ccccc1)N1COc2ccc3c(c2C1)OC(=Cc1ccc([N+](=O)[O-])cc1)C3=O 2322092452 NNAPGSBKMAYVAQ-MRXNPFEDSA-N 428.444 5.124 30 10 IKEE O=C(C=Cc1cc(Br)ccc1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 2322473974 QPCFLYZIJLAIGH-UHFFFAOYSA-N 438.277 5.832 30 10 IKEE CCOc1ccc(C(=O)C=Cc2c(OCC(=O)N(CC)CC)ccc3ccccc23)cc1 2322549894 RPIMXGIBMLBWIZ-UHFFFAOYSA-N 431.532 5.382 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccccc1OC(F)F)C2=O)c1ccc(Cl)cc1 2322699015 UVAFUDNUASTGBA-UHFFFAOYSA-N 442.801 5.777 30 10 IKEE COC(=O)c1ccc(C=C2Oc3cc(OC(=O)c4ccc(Cl)cc4)cc(C)c3C2=O)cc1 2322705083 CIUSHJYNFFOPLK-UHFFFAOYSA-N 448.858 5.270 30 10 IKEE COc1ccc(NN=Cc2cc(Br)c(OC(C)C)c(Br)c2)cc1 2323069150 HZDQRPYVWLLWMZ-UHFFFAOYSA-N 442.151 5.453 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OCC(=O)N[C@@H](C)c3ccccc3)c2)cc1 2323134879 PNVWRBDKBAMJBW-FQEVSTJZSA-N 429.516 5.238 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OCC(=O)Nc1ccccc1F 2323164032 KMQPHRFQCDPUDA-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)cc(C)c3C2=O)cc1 2323310639 AZTAUFFEEZVWQY-UHFFFAOYSA-N 445.427 5.137 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O)c1cc(Cl)ccc1Cl 2323581059 QEPACXMORMXGNF-UHFFFAOYSA-N 445.685 6.482 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C 2323800826 UMMSHPBHENTPFD-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE COc1cccc(C=NNc2nc(-c3ccc(C)cc3C)cs2)c1OCc1ccccc1 2323844478 RVTNCQJENSSOLD-UHFFFAOYSA-N 443.572 6.461 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2Cl)c1 2323854622 FBCVYLZZCOYTCT-UHFFFAOYSA-N 433.935 6.179 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc3ccccc23)cc1)c1ccc(Cl)c(Cl)c1 2323874047 HHZWZNPDQQGAIA-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OCc1cc(C)ccc1C 2324380705 IRPZCPKMNOHRRE-UHFFFAOYSA-N 444.571 6.803 30 10 IKEE CCOc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2cccs2)C3=O)cc1 2324521956 XQVUWGZRRRMJMW-INIZCTEOSA-N 449.528 5.477 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OCCc3ccccc3)c([N+](=O)[O-])c2)cc1C 2324637491 AGZYGOVGXQYMEZ-UHFFFAOYSA-N 431.488 5.738 30 10 IKEE N#Cc1ccc(COc2ccc3c(c2)OC(=Cc2ccc(Br)cc2)C3=O)cc1 2324756880 PXOVUGRKIDVBIX-UHFFFAOYSA-N 432.273 5.516 30 10 IKEE Cn1cc(C=C2Oc3cc(OCCC(=O)Nc4ccccc4)ccc3C2=O)c2ccccc21 2325480142 GBMGHAAAAZDVCW-UHFFFAOYSA-N 438.483 5.202 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccc(OC)cc1OC 2325517687 DYYVDUOAWXJDMZ-UHFFFAOYSA-N 438.597 5.429 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(Br)cc1 2325571873 KRKFGNDLYPCKAK-UHFFFAOYSA-N 449.805 5.821 30 10 IKEE CCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1c(OC)ccc2ccccc12 2325592859 ZTIFAJIUJKMBHC-UHFFFAOYSA-N 430.577 5.794 30 10 IKEE CCCCCCC(=O)Oc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)ccc1OC 2325669061 TYAJEYWCHFQSCF-UHFFFAOYSA-N 442.555 7.134 30 10 IKEE C=CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1ccc(C)cc1 2325906839 CIZUJQVVDYRABH-UHFFFAOYSA-N 434.609 5.932 30 10 IKEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)CCc2cc(NC(=O)OC(C)(C)C)ccc21 2326061103 DYVUJMICNRQCTP-SANMLTNESA-N 436.552 5.338 30 10 IKEE COc1ccc(C=Nn2cnnc2SCc2c(Cl)cccc2Cl)c(Cl)c1O 2326511523 BXDHFIZSAWOZDZ-UHFFFAOYSA-N 443.743 5.127 30 10 IKEE Cc1nnc(SCc2cccc(F)c2)n1N=Cc1ccccc1COc1ccccc1 2326727312 KAGPQQDTQBLAIF-UHFFFAOYSA-N 432.524 5.479 30 10 IKEE C=C(C)CSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1cccc(OC)c1 2326997917 UDTJWNKCAHAJCI-UHFFFAOYSA-N 436.581 5.157 30 10 IKEE CCCSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1ccccc1Cl 2327210907 GMTGDRORNXXZFE-UHFFFAOYSA-N 428.989 5.636 30 10 IKEE C(=Nn1c(Cc2cccc3ccccc23)nnc1SCc1ccccc1)c1cccnc1 2327753872 KANIUKDJNQQVSD-UHFFFAOYSA-N 435.556 5.592 30 10 IKEE CCCCC1CCC(c2nnc(SC)n2N=Cc2ccc(N(CC)CC)cc2)CC1 2328106417 BYFPOWCMEPQYRH-UHFFFAOYSA-N 427.662 6.192 30 10 IKEE CCCCOc1ccc(C=Nn2c(Cc3ccc(Cl)cc3)nnc2SCCC)cc1 2329121576 USZZZVJAIMYPCI-UHFFFAOYSA-N 443.016 6.086 30 10 IKEE COc1cccc(C=Nn2c(Cc3ccccc3F)nnc2SCc2ccc(C)cc2)c1 2329701115 KOOLJORWRCWGEQ-UHFFFAOYSA-N 446.551 5.500 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(COc2ccccc2)n1N=Cc1ccco1 2329929986 LMYOQJINDAHVPL-UHFFFAOYSA-N 442.903 5.417 30 10 IKEE CSc1nnc(Cc2cccs2)n1N=Cc1ccc(OCc2ccc(C)cc2)cc1 2330309971 DGBUCZCLEAPBEA-UHFFFAOYSA-N 434.590 5.422 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1OCC 2330610952 KZMDVFKWKXMSQZ-UHFFFAOYSA-N 428.528 6.744 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl 2331029139 DPPLNEVDNYMKJS-UHFFFAOYSA-N 443.927 6.800 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OC(=O)c1ccc(F)c(F)c1 2331101246 HBJYSAZHUSMKCC-UHFFFAOYSA-N 444.380 5.757 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2-c2ccco2)c1O 2331224349 RHOVCEVAQVQJAK-UHFFFAOYSA-N 440.912 5.080 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)c1sccc1C 2331331668 BDJCECDSHADBGR-UHFFFAOYSA-N 444.911 6.281 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3OC)cc2)cc1 2331351621 KBZZNHMYIJJYHI-UHFFFAOYSA-N 444.527 5.837 30 10 IKEE COc1cc(C=Nn2c(SCc3cccc(C)c3)nnc2C(C)(C)C)cc(Cl)c1O 2331378602 GOMHPYRSLCAXEJ-UHFFFAOYSA-N 444.988 5.426 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc3ccccc23)cc([N+](=O)[O-])c1OC(=O)CC(C)C 2331477331 JILSGODZQKFMSA-UHFFFAOYSA-N 447.487 5.994 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2sccc2C)cc1C 2331488749 VPKJGWFYVLKYDL-UHFFFAOYSA-N 439.610 5.145 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(F)c3)cc2[N+](=O)[O-])cc1 2331562097 DUMAHFOIKZCKIW-UHFFFAOYSA-N 437.398 5.226 30 10 IKEE COCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccccc1F 2331612140 JAUUFVIFMYITQC-UHFFFAOYSA-N 425.316 5.045 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccccc2CC)n1N=Cc1cccc(Cl)c1 2331636342 JGZPEFYHAXISHD-UHFFFAOYSA-N 441.988 5.059 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2OC)ccc1OC(=O)CCCSC 2331885167 GVZWHFFNXFFXHB-UHFFFAOYSA-N 434.941 5.302 30 10 IKEE N#Cc1nc(Cc2cccc3ccccc23)oc1NN=Cc1ccc(O)c(Br)c1 2331932781 VIVBUPHOGGAUKF-UHFFFAOYSA-N 447.292 5.204 30 10 IKEE CCN[C@@H](C#Cc1ccc(Cl)cc1)c1sc(Cl)cc1I 2366650768 RHMRNCSQFZERMB-ZDUSSCGKSA-N 436.145 5.362 30 10 IKEE Cc1ccc(C)c(SCc2ccc(B3OC(C)(C)C(C)(C)O3)c(Br)c2)c1 2377319884 YKIVMKZLNHSWEK-UHFFFAOYSA-N 433.220 5.657 30 10 IKEE CCOCCCn1c(SCc2ccccc2C#N)nc2c(sc3ccccc32)c1=O 2961983 BJXQKTVNHXPKLM-UHFFFAOYSA-N 435.574 5.202 30 10 IKEE CCOc1cccc(/C=C2\Oc3cc(OC)ccc3C2=O)c1OC(=O)c1ccc(F)cc1 8823912 JFUXKGYUYVKAFK-XKZIYDEJSA-N 434.419 5.068 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1sccc1C)N2 14455889 KXWPJCHNTNUVFP-IPJJNNNSSA-N 426.607 5.246 30 10 IKEE C#CCCOc1cc(-c2ccc(C)s2)cc2c1OCCN(C(=O)c1ccc(F)cc1)C2 14950904 VDBUYNBLEQXKGU-UHFFFAOYSA-N 435.520 5.300 30 10 IKEE CCc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OC(C)C)c(OC)c2)C3)cc1 20881746 CKPJQPLAVSDZTM-RTWAWAEBSA-N 433.548 5.049 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C)o2)cc1OC 21223082 STAQCSXUSCJJAN-CLYVBNDRSA-N 444.531 5.975 30 10 IKEE CCOc1ccccc1[C@@H]1C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)Nc2onc(C)c21 28052172 PQEBVYHGFABDDH-MWTRTKDXSA-N 434.923 5.993 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1OC 34955183 HQSFQEVDSCFOJC-OMCISZLKSA-N 444.527 6.117 30 10 IKEE CCCCCCCCCCCCCCCCCCNC(=O)N[C@@]1(C)CCS(=O)(=O)C1 59568206 UNIMSXXGEQHYJD-DEOSSOPVSA-N 444.726 6.124 30 10 IKEE COc1ccc2ccccc2c1/C=N/c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 100046229 YLHQKLHGGTZTBY-WGOQTCKBSA-N 434.492 5.539 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 100153251 FUFZSSBKCLTVSB-UHFFFAOYSA-N 436.596 6.351 30 10 IKEE CCCCCCCCCCCCN1C(=O)/C(=C/c2c(C)[nH]c3ccccc23)SC1=S 101444745 RRCMYCVUWSIDFC-NKFKGCMQSA-N 442.694 7.598 30 10 IKEE CCCCCCCCCCCCn1c(CCCNC(=O)C(C)(C)C)nc2ccccc21 102146814 MTCXLVCTNQTFEI-UHFFFAOYSA-N 427.677 7.052 30 10 IKEE CC1(C)CS/C(=N\Cc2ccccc2)N1C(=O)/C=C\c1ccc(Cl)c([N+](=O)[O-])c1 105085900 DKSGKFAHSLYVHS-DUINLYKASA-N 429.929 5.172 30 10 IKEE C=CCn1c(C(=O)NCCNc2cccc3ccccc23)c(C)c2cc(C(C)C)ccc21 169870284 YUXJGDCGPHQEDH-UHFFFAOYSA-N 425.576 6.254 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(OC)cc2)cc1 169922091 PCKUIPIPRJPRQF-QHCPKHFHSA-N 447.462 5.016 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2cccc(C)c2)cc1 169922906 QHWKPAICFYOLGX-AREMUKBSSA-N 449.506 5.940 30 10 IKEE COc1ccc(-c2csc(N/N=C\c3cccc(OCc4ccc(Cl)cc4)c3)n2)cc1 169939957 LGRHLGDFKDFEPV-WGARJPEWSA-N 449.963 6.497 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(O)cc2)cc1C 169960176 ZYLZLNMPQZUWHP-JOCHJYFZSA-N 433.891 5.445 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccc(C(C)C)cc2)c1 169967803 OYTOTGNDVLNZLG-JOCHJYFZSA-N 446.572 5.975 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2cccc(C)c2)cc1 169968772 YXSUYKCSZIUVFD-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2cccs2)c1 169981671 BXXGPRIFCRYRNI-JOCHJYFZSA-N 444.512 5.411 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1cccs1)c1ccc2c(c1)CCCC2 169985750 AHBKTBRYBFHZJG-QFIPXVFZSA-N 449.959 6.063 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccc(C)cc2)c1 170036778 YOTILKLDZBGFJP-RUZDIDTESA-N 441.527 5.793 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@@H]1c1ccccc1OC 170125771 HLBYWPNYJSFZJU-QHCPKHFHSA-N 437.536 5.171 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@H]1c1ccc(O)cc1 170137317 YUKBUVXNWJDJGZ-HSZRJFAPSA-N 437.536 5.196 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@H]1c1cccc2ccccc12 170221196 CTXYRNOWURHLCS-XMMPIXPASA-N 429.516 5.535 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2)c1 170221663 ZQIWQJWRPHWIOK-QHCPKHFHSA-N 447.556 5.561 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccccc2)ccc1Cl 170225379 MYVBTHCFZLEVDT-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccc1 170233623 ZACGCVRUKAQWCU-XMMPIXPASA-N 429.516 5.233 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@@H]1c1ccc(Cl)cc1 170236797 FPURLHUMYZKTKB-QFIPXVFZSA-N 441.955 5.816 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2C)c1 170272043 SAIZRDHQSBAQQW-XMMPIXPASA-N 427.500 5.567 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2C)cc1Cl 170278388 JYFZRYFEYQUEFH-NRFANRHFSA-N 425.912 5.178 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@@H]2c2ccco2)c1 170283215 FJZNETPBLOOGIW-HSZRJFAPSA-N 431.488 5.414 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@@H]1c1sccc1C 170319208 ZZFXBSXZNDIQLA-GOSISDBHSA-N 433.957 5.487 30 10 IKEE CC(C)Oc1ccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(C(C)(C)C)cc2)cc1 170473334 UQXZTZQJUQBIBQ-HSZRJFAPSA-N 449.591 6.287 30 10 IKEE Cc1ccc(-c2cc(Nc3c(C#N)cnn3-c3cc(C)c4ccccc4n3)nc(C)n2)cc1 170547605 FXGMYOFFYBJIFI-UHFFFAOYSA-N 431.503 5.418 30 10 IKEE N#C[C@@H](c1cccc(C(F)(F)F)c1)c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1 247705451 CZKHNYZFQRJVTP-LBPRGKRZSA-N 449.276 6.342 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccc(O)c2)cc1Cl 526490466 GHUSCBQOFABBHD-HSZRJFAPSA-N 446.890 5.373 30 10 IKEE COc1c(Cl)cc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccco2)cc1Cl 526609347 UXKFEBBRDVUMAJ-IBGZPJMESA-N 441.270 5.524 30 10 IKEE COc1ccc2c(c1)c([C@H]1C(c3ccc(C)cc3)=C(O)C(=O)N1c1ccccc1C#N)cn2C 526609668 XQZVXEHEATXFKL-SANMLTNESA-N 449.510 5.424 30 10 IKEE Cc1ccc(SC2=C(Nc3ccc(F)cc3F)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 526662497 CAVBAOGLJJOYLY-UHFFFAOYSA-N 447.466 5.134 30 10 IKEE CC(C)(C)c1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccccc2Cl)cc1 586202817 ZMHVTNUQTPXUKD-UHFFFAOYSA-N 438.980 5.905 30 10 IKEE CCOc1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 586249056 HUEXFMQGZGNENF-UHFFFAOYSA-N 448.588 5.650 30 10 IKEE N#Cc1ccccc1NC(=O)Nc1cccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 586732194 YRDWNMBITUNOKY-UHFFFAOYSA-N 448.482 6.247 30 10 IKEE CC(C)(C)OC(=O)N1CCC([C@@](C)(C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)CC1 698380641 ZTTWSVFLFFMDED-RUZDIDTESA-N 443.588 5.353 30 10 IKEE CC(=Nn1c(S)nnc1-c1ccc(C(C)(C)C)cc1)c1ccc(-c2ccccc2)cc1 1083902648 WLQRHTIJOIWLAO-UHFFFAOYSA-N 426.589 6.471 30 10 IKEE Cc1ccc(C(CSc2nc3ccccc3s2)=NNc2ccc([N+](=O)[O-])cc2)c(C)c1 1084141100 ATIJKBFLWHCDGV-UHFFFAOYSA-N 448.573 6.430 30 10 IKEE COc1ccccc1C(=O)ON=C1CC(C)(C)Cc2c1cc(C)n2-c1ccc(Cl)cc1 1772728421 MDDXAPYYGANCPM-UHFFFAOYSA-N 436.939 5.981 30 10 IKEE C/C(=C1/SC(=Nc2nc(C)cs2)N(c2ccccc2)C1=O)c1ccc(Cl)cc1 1772740577 ZIWLBCIFFNNSCT-ZUGBYVCQSA-N 425.966 6.304 30 10 IKEE CCCCCCCCCCNc1cc(N2CCC[C@@H](C)C2)nc(-c2ccc(OC)cc2)n1 1859792232 ADQUFMVDLGKZAU-JOCHJYFZSA-N 438.660 6.941 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)c1ccccc1C(F)(F)F 1861042435 OGQPSRXUKYTCCU-NRFANRHFSA-N 442.566 6.251 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2cccc3ccccc23)cc1 1862398410 XOMSLNZWXJYKEI-AREMUKBSSA-N 441.571 6.417 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccccc1F)c1ccccc1Cl 1862430781 RLUCOWMPBDBHTA-QFIPXVFZSA-N 435.882 5.300 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)c1 1862444056 WWNLEQGIQZLLJJ-GAJHUEQPSA-N 431.919 5.988 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@@H]1c1ccccc1)c1c(F)cc(F)cc1F 1862456273 OMZRSTPUAGIZER-OAQYLSRUSA-N 441.380 5.022 30 10 IKEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(F)cc2)cc1 1862474781 UZCAEWYXQQHDRA-MZNJEOGPSA-N 445.490 5.482 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862477713 PKKQLYKZJUKXON-XMMPIXPASA-N 445.584 6.001 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(F)cc1 1862545133 SSQQAKUZIOKCJN-XMMPIXPASA-N 435.539 5.863 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1c(F)cccc1Cl)c1ccc2c(c1)CCCC2 1862548946 DJZGCBDVPWAGOC-NRFANRHFSA-N 425.887 5.099 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2ccccc2C)cc1 1862554444 CYQIWMJYLHOKAB-AVRWGWEMSA-N 440.543 5.479 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2cc(C)ccc2C)c1 1862589391 KKVHBJBPPVCQQE-XMMPIXPASA-N 427.500 5.096 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccccc1 1862614694 FHUGPMORCTWGFR-ZCYQVOJMSA-N 447.619 6.921 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1F 1862641009 UXSUYOLIOGXYIH-QFIPXVFZSA-N 425.500 5.192 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(F)cc1F 1862651423 SEYHMZASJMRPEX-QHCPKHFHSA-N 435.470 5.887 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862654883 UWHHHVOUGFGKAR-NYHFZMIOSA-N 430.460 5.125 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(Cl)cc1 1862660226 HGABNTWXGRAMTF-NRFANRHFSA-N 427.928 5.078 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(Cl)cc1Cl 1862668192 SLGZBCGYFSXNBX-NRFANRHFSA-N 446.374 6.351 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(F)cc2F)cc1 1862691639 RBFWTUREPNLBDJ-QFIPXVFZSA-N 441.474 5.275 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccccc2C)c1 1862699388 UKLMOYRQWIATPO-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE Cc1ccc(NC2=C(c3c[nH]c4ccccc34)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1C 1863129326 IFHNMHHKPNQQMG-UHFFFAOYSA-N 432.483 5.053 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3ccccc3C2)nc(-c2ccc(C(C)(C)C)cc2)n1 1867997551 BTUVYOLGLVOOHQ-UHFFFAOYSA-N 438.619 6.182 30 10 IKEE CC(C)c1nc(Nc2ccc(C#N)cc2)cc(N2CCC[C@@H]2Cc2ccc(Cl)cc2)n1 1868242119 HNTDHMTUFYFIDM-JOCHJYFZSA-N 431.971 6.080 30 10 IKEE Cc1ccccc1-c1nc(Nc2ccccc2C#N)cc(N2CCc3nc[nH]c3[C@H]2C(C)C)n1 1868307839 WVFKXODSJZRSIJ-AREMUKBSSA-N 449.562 5.550 30 10 IKEE Cc1ccc(-c2nc(Nc3ccccc3C#N)cc(N3C[C@@H](C)Cc4ccccc43)n2)cc1 1868327585 XFMXCZYBCBFARA-FQEVSTJZSA-N 431.543 6.398 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC(C(=O)c3c[nH]c4ccccc34)CC2)nc(CCC)n1 1869226841 PVQVJKZJEUUCIP-UHFFFAOYSA-N 443.595 5.188 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)Nc2ccc(C)cc2Cl)c(=O)cc1C 1870083021 BLKZEFPTQHWTAR-UHFFFAOYSA-N 447.019 6.277 30 10 IKEE CCCCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CSc1ccccc1 1870165808 OUIZYJGCEQGNRA-UHFFFAOYSA-N 441.681 7.626 30 10 IKEE CCCCCCCCn1cc(OCCCCCC)c(=O)cc1CSc1ccc(C)cc1 1870186136 CIQJTYMMAGAVGY-UHFFFAOYSA-N 443.697 7.769 30 10 IKEE CCCN(CCC)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1Cc1ccccc1C 1870348262 QIZQBFHRGLCXOJ-UHFFFAOYSA-N 443.591 5.278 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCCCC1 1870349393 MEWTYABECAYYRP-UHFFFAOYSA-N 435.612 5.645 30 10 IKEE CCCCCCCCCCn1cc(OCc2ccccc2)c(=O)cc1CN(CC)CC 1870471282 YUXVETBQHCPTCM-UHFFFAOYSA-N 426.645 6.410 30 10 IKEE CCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CNc1ccc(F)c(Cl)c1 1871058753 KVGSWZJJPYVNPR-UHFFFAOYSA-N 449.010 6.958 30 10 IKEE COc1ccc(CCN2COc3cc(C)c4c(c3C2)O/C(=C\c2ccccc2F)C4=O)cc1 1871345522 CXBDEQWTMQIBTM-OYKKKHCWSA-N 445.490 5.154 30 10 IKEE Cc1cc(OC(=O)/C=C/c2ccc(Cl)cc2)cc2c1C(=O)/C(=C/c1ccccc1F)O2 1871375169 WVBWNZRDPURGKS-YAWPGIFISA-N 434.850 6.023 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OC(=O)/C=C/c3cccs3)cc(C)c2C1=O 1871381266 RFNMIFUJYFBWMY-LAUHTZEZSA-N 432.497 5.690 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)CC1 1871383192 NTKRJSYMMXNFBU-IWIPYMOSSA-N 449.503 6.113 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2sccc2C)C3=O)c1 1871412249 PQZUNUAJESXWRZ-FPJJECCMSA-N 447.556 6.004 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 1871424581 OECRMSAUPRFJGO-QRVIBDJDSA-N 445.490 5.639 30 10 IKEE Cc1ccc(NC(=O)CCOc2cc(C)c3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871430898 ISPVQIQZRBUFNU-UCQKPKSFSA-N 447.918 5.981 30 10 IKEE Cc1c(O[C@H](C)C(=O)Nc2nc3ccccc3s2)ccc2c1O/C(=C\c1ccco1)C2=O 1871439802 MROVSGZKODFDNB-VCRXTVNUSA-N 446.484 5.220 30 10 IKEE CCCCCCCCCCN=c1nc(N(C)C)[nH]c(=Nc2cccc(C(C)(C)C)c2)[nH]1 1871643825 XKEUBJBYGQYDKP-UHFFFAOYSA-N 426.653 5.375 30 10 IKEE C=CCN(CC=C)c1nc(Nc2ccc(N(CC)CC)cc2C)nc(N(CC=C)CC=C)n1 1871735429 FUGMBYXSUIEBGL-UHFFFAOYSA-N 447.631 5.127 30 10 IKEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872526317 WNOSYVYPAMAQSX-QHCPKHFHSA-N 442.625 5.213 30 10 IKEE C=CCN([C@H](C(=O)Nc1cc(C)ccc1C)[C@@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872572051 OWOUMLOWJCFUJT-UUOWRZLLSA-N 442.625 5.150 30 10 IKEE N#C[C@H](C(=O)COc1cc(Cl)ccc1Cl)c1nc(-c2ccccc2Cl)cs1 1872764829 ZKEMBZLEDYTKAK-CYBMUJFWSA-N 437.735 6.026 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(OC)c(OC)c3)n2)cc1C 1872764972 CQUGBHWEGHQHKI-MOTZXUDYSA-N 434.517 5.034 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)c3cccc4ccccc34)n2)cc1C(C)C 1872779326 HJTMGCFNXQGTKQ-QHCPKHFHSA-N 440.568 6.894 30 10 IKEE CCCCCCCCNC1=C(c2cccc3ccccc23)C(=O)N([C@H]2CCCC[C@H]2C)C1=O 1873025637 OGTMZRYGXRBEHW-BWKNWUBXSA-N 446.635 6.449 30 10 IKEE C=CCNC1=C(c2ccc(F)c(C)c2)C(=O)N(C2CCCCCCCCCCC2)C1=O 1873152568 IATQPCOKUOQHAK-UHFFFAOYSA-N 426.576 5.663 30 10 IKEE COc1ccc(OCc2nnc(SC)n2/N=C/c2ccc(Cl)cc2)c(C(C)(C)C)c1 1874194266 GQLDSKZCZBCQSV-ZMOGYAJESA-N 444.988 5.421 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc(OCC)cc1 1874278783 CRQXHZKCUBKQCV-MFKUBSTISA-N 441.000 5.666 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CCc2ccc(Cl)cc2)nnc1SCC=C 1874284748 WOMUPUVNQDBCQA-KOEQRZSOSA-N 438.984 5.442 30 10 IKEE Oc1cccc(/C=N/n2c(Cc3ccc(Cl)cc3)nnc2SCc2ccccc2)c1 1874342213 FPUPSTBVEKCCHY-MFKUBSTISA-N 434.952 5.402 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3C)n2/N=C/c2ccccn2)c1 1874361691 QGOHHFWKROUWQD-WPWMEQJKSA-N 427.577 5.250 30 10 IKEE Cc1cccc(/C=N/n2c(CCc3cccs3)nnc2SCc2ccccc2C)c1 1874368490 CUQNRBGWNIYXAT-PCLIKHOPSA-N 432.618 5.916 30 10 IKEE CSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1ccc(OCc2ccc(C)cc2)cc1 1874377448 WUJUOYPJWBFOKY-JVWAILMASA-N 446.551 5.500 30 10 IKEE COc1ccccc1/C=N/n1c(Cc2ccc(C)cc2)nnc1SCc1ccccc1C 1874387566 TYUJCKIARCFLMQ-WPWMEQJKSA-N 442.588 5.669 30 10 IKEE Cc1ccc(Cc2nnc(SCc3c(F)cccc3Cl)n2/N=C/c2ccc[nH]2)cc1 1874391610 MXQWZFZHGRJZMY-LGJNPRDNSA-N 439.947 5.472 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2[C@@H](C)c2ccccc2)cc1 1874394962 ZVZZSRDKJGIYMK-PWIYWSIBSA-N 440.616 6.475 30 10 IKEE Cc1cccc(CSc2nnc(-c3cccs3)n2/N=C/c2ccc(C(C)C)cc2)c1 1874422005 PAKDSDVDHFGYRC-MFKUBSTISA-N 432.618 6.613 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(-c2ccccc2)n1/N=C/c1ccccc1 1874429248 ZGOKPBWZVQPBNN-AFUMVMLFSA-N 439.371 6.426 30 10 IKEE Cc1ccc(/C=N/n2c(CC(C)C)nnc2SCC(=O)Nc2c(C)cccc2C)cc1 1874488219 QTPPMFSBLYKNDK-AFUMVMLFSA-N 435.597 5.015 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(CC(C)C)nnc2SCc2ccccc2C)cc1 1874488621 APRNXEAVHJAFEE-YZSQISJMSA-N 435.641 5.806 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C(C)C)cc1 1874514528 BXWDPAIOHUEGOJ-BRJLIKDPSA-N 430.980 6.492 30 10 IKEE CCSc1nnc(CC)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 1874525153 YWIFXOYHUGIWFT-YDZHTSKRSA-N 430.961 5.076 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2)c1 1874572559 UICJZAITHPIULK-PKNBQFBNSA-N 435.907 5.571 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(OC)cc2)cc1 1874576111 XEHCWXJSRSHUBK-RIYZIHGNSA-N 449.934 5.825 30 10 IKEE CCCOc1c(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(Br)cc1OC 1874583149 YYYGRYIZSKGUAY-FMIVXFBMSA-N 431.370 6.440 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cc(Cl)cc(OC)c1OCCCO 1874584177 AGFOSOVOQCRFKW-VQHVLOKHSA-N 432.944 5.312 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1)c1ccc(Cl)c(Cl)c1 1874615532 CNKAAXKBHIHTOQ-YCRREMRBSA-N 435.709 7.261 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OCC(=O)NC1CCCCC1 1874635876 ZVZODTCAEOBXLQ-ZRDIBKRKSA-N 435.564 5.344 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1C 1874636764 RHDBHRQXCTXSCI-UXBLZVDNSA-N 435.451 5.834 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1OC(=O)COc1ccccc1 1874692730 VHIVTRDGXFCEDJ-RVDMUPIBSA-N 438.479 5.729 30 10 IKEE Cc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(Cl)c(Cl)c3)c2)cc1C 1874702736 HESYJHUFHILHSU-DHZHZOJOSA-N 439.338 6.654 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2cccc(OC(=O)c3ccccc3[N+](=O)[O-])c2)c1C 1874711274 UJZHMBVINRUROB-OUKQBFOZSA-N 429.472 5.944 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(Cl)c1OC(=O)c1cccs1 1875094984 SISCLNXWDLGCNA-DHZHZOJOSA-N 448.927 6.679 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)cc2Cl)cc1 1875097058 SLWVFZJTWVPWKL-RIYZIHGNSA-N 430.931 6.643 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc(Cl)c1OC(=O)[C@H]1CCCO1 1875108481 QSHIZVKEARBDPU-WFNSPDMASA-N 444.911 5.036 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3Cl)cc2Cl)cc1C 1875113531 LQNBWEFAKSASON-DHZHZOJOSA-N 425.311 6.726 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H]3C[C@H]3c3ccccc3Cl)cc2)c(C)c1 1875131652 IKJFYROXTIQZKT-AWJFGYGFSA-N 430.931 6.562 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)[C@H](C)c1ccccc1 1875138434 WBGWGABTXSHBMJ-JXOMPUQVSA-N 448.946 6.571 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3sccc3C)c(OC)c2)cc1F 1875153556 MNAQDHKMIAAPNY-QPJJXVBHSA-N 426.465 5.328 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)C(F)(F)F)cc2)cc1 1875159221 IBMCLXPEULALLD-CXUHLZMHSA-N 434.454 6.400 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)C3CC3)c(OC)c2)c(OCC)c1 1875178147 WAHPOWMRZCCNJS-IZZDOVSWSA-N 444.911 5.358 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@]12CCCC[C@H]1N(C(=O)OC(C)(C)C)CC2 1922059884 KXBSCOJIBZAUOL-UMFSSWHCSA-N 428.617 5.307 30 10 IKEE C=C(COCc1ccccc1)[C@H](NC)c1cc(Br)cc(Br)c1 1922068111 GRUGFCPOLYRKHI-SFHVURJKSA-N 425.164 5.245 30 10 IKEE CC(C)(C)OC(=O)N(C1CC1)[C@H](C#N)c1scc(Br)c1Br 1930758752 NOVHCLIKMATQOR-SNVBAGLBSA-N 436.169 5.237 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@@H](NC(=O)OC(C)(C)C)C(C)C 1941061324 KCJYAEDIFHPENS-CYFREDJKSA-N 431.577 5.568 30 10 IKEE CCC#CC[C@@H](NCCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2005883699 PIUWHFZWFZEWHQ-BVAGGSTKSA-N 428.617 5.002 30 10 IKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@@](C)(C#N)c1ccc(CNC(=O)OC(C)(C)C)cc1 2014219266 ZUMPWIXBMKCGPK-OSPHWJPCSA-N 431.577 5.486 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@H](C#N)[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2017953986 FBLXRTYMBADOHW-PKOBYXMFSA-N 429.561 5.356 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1N(C(=O)OC(C)(C)C)CCSC1(C)C 2018257730 BBLMFDFDZOPLBL-FCHUYYIVSA-N 448.673 5.259 30 10 IKEE Fc1c(Cn2nc(C3CCC3)c(Br)c2C(F)(F)F)cccc1C(F)(F)F 2078995862 ZTKOATLIPODZNM-UHFFFAOYSA-N 445.176 6.138 30 10 IKEE Cc1ccc([C@@H](C2CC2)n2nc(C(C)(C)C)c(C#N)c2I)c(C)c1 2079072268 VORPUJJUZAPETH-QGZVFWFLSA-N 433.337 5.273 30 10 IKEE Fc1cc(C(F)(F)F)ccc1-c1c(C(F)(F)F)nn([C@H]2CCOC2)c1Br 2080745579 QVTZOHQUBBBEET-QMMMGPOBSA-N 447.148 5.451 30 10 IKEE Fc1ccc(C(F)(F)F)cc1-c1cc(Cl)n2nc(C(F)(F)F)c(C3CCC3)c2n1 2081278854 DEMQIPVVUWYAGM-UHFFFAOYSA-N 437.746 6.494 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@H](C#N)c1c(Cl)cccc1Br 2094995634 WDDLFLIWAJJRKC-QGZVFWFLSA-N 441.797 6.627 30 10 IKEE Cc1c([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)c(Br)nn1C 2131586819 VTJMAZHNIKFPEK-HNNXBMFYSA-N 425.371 5.016 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Cl)cc(Br)c1 2136650631 BKTUYFCJSLIBIU-MSOLQXFVSA-N 443.813 5.450 30 10 IKEE N#CCc1ccc(Nc2cc(Br)c(Br)c(Br)c2)nc1 2138616937 WLPGMWPQWASUIK-UHFFFAOYSA-N 445.940 5.179 30 10 IKEE N#Cc1cc(F)c(NC[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc1Br 2159218779 YEGJCJATXHSGKC-LUPIEILUSA-N 428.349 5.315 30 10 IKEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNc2cc(Br)ccc2C#N)cc1 2162319423 YFIAXGQUQLRAMW-CQSZACIVSA-N 430.346 5.519 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](Nc2cc(Br)cc(F)c2C#N)CC12CCCC2 2163690586 VXSLHMAZWLVLNH-CQSZACIVSA-N 438.341 5.194 30 10 IKEE CC(C)(C)OC(=O)NCc1ccccc1CNc1cc(Br)cc(F)c1C#N 2163708278 NOQHOCYBKYZLCJ-UHFFFAOYSA-N 434.309 5.097 30 10 IKEE C=CCCCC[C@H](NCCC)[C@@H](O)c1scc(Br)c1Br 2179675880 AWVLTVOEUDEOBF-GXTWGEPZSA-N 425.230 5.421 30 10 IKEE C=CCC[C@@H](NCC)c1sc(Br)c(Br)c1Br 2212189974 QXHLIPOVEKVZIJ-SSDOTTSWSA-N 432.019 5.652 30 10 IKEE C=CCC1([C@H](NC)c2ccc(Br)cc2Cl)CN(C(=O)OC(C)(C)C)C1 2222733192 OUKGDFYTZKMWFN-MRXNPFEDSA-N 429.786 5.176 30 10 IKEE C=CCCCCCC[C@@H](O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237383225 HNBYOOICKDXJLN-VQTJNVASSA-N 440.422 5.772 30 10 IKEE CC1(C)OB(c2ccc3nccc(N(Cc4ccccc4)CC(F)(F)F)c3c2)OC1(C)C 2269885502 AAQPYABSADIOIB-UHFFFAOYSA-N 442.290 5.103 30 10 IKEE C=CCCC1(C(=O)Nc2c(C)cc(Br)cc2C)CN(C(=O)OC(C)(C)C)C1 2281047142 FVIYNBGYPSTURI-UHFFFAOYSA-N 437.378 5.208 30 10 IKEE CC1(C)OB(c2ccc(C(=O)Nc3cc(Cl)c(Cl)c(Cl)c3)s2)OC1(C)C 2282198898 FKQUICRTBJUHHT-UHFFFAOYSA-N 432.565 5.260 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H](CNc2c(Br)cccc2C#N)C1 2285168893 DEBOJBUEIKMRKB-MRXNPFEDSA-N 434.378 5.160 30 10 IKEE CCc1ccc(N=C2SC(=Cc3ccccc3OCc3ccccc3)C(=O)N2C)cc1 2293749541 AINQTJXLCMPTIW-UHFFFAOYSA-N 428.557 6.062 30 10 IKEE CCCCN(CCCC)Cc1c(O)cc(C)c2c1OC(=Cc1cc3ccccc3o1)C2=O 2296590759 RCYVTNDOESHAPC-UHFFFAOYSA-N 433.548 6.465 30 10 IKEE Cc1nc(N2C(=O)C(=O)C(=C(O)c3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)sc1C 2296930208 GYBJYOPLFFSZRR-SFHVURJKSA-N 442.899 5.179 30 10 IKEE C[C@H]1CC[C@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC(=O)C5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@@H]2C 2297707613 BHUDKWOFZIXCDR-ALYUXWNLSA-N 426.597 5.101 30 10 IKEE CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2299160673 BROVZKDRPLOYQI-ZWKOTPCHSA-N 433.524 5.105 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@H]2CC[C@H]1C[C@]2(C)NC(=O)OC(C)(C)C 2307591163 LIIQXISRMMBVMQ-VWLKPLNNSA-N 435.609 5.388 30 10 IKEE COc1ccccc1C=CC=C1Oc2cc(OCC(=O)c3ccc(Cl)cc3)ccc2C1=O 2314437313 IVZAYYVTAVBUNA-UHFFFAOYSA-N 446.886 5.783 30 10 IKEE CCc1ccc([C@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2CCc2ccccc2)cc1 2314479058 ZFRHPLRJKGWXTF-MHZLTWQESA-N 437.539 5.470 30 10 IKEE CCOc1ccc2c(c1)OC(=Cc1cccc(OCC)c1OC(=O)c1ccc(F)cc1)C2=O 2314527324 PRBYUPOWWCWDFU-UHFFFAOYSA-N 448.446 5.459 30 10 IKEE C=CCN1C(=O)C(=Cc2cccc3ccccc23)SC1=Nc1ccc(C(=O)O)c(O)c1 2314927006 XGGPAGIAQNRKRN-UHFFFAOYSA-N 430.485 5.034 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2Cl)Oc2c1ccc1c2CN(Cc2ccccn2)CO1 2321968281 GWZGVJHXOLLXJS-UHFFFAOYSA-N 439.298 5.357 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccccc2CC)cc1 2322607120 NZBKJSHXJCKDED-UHFFFAOYSA-N 443.543 5.951 30 10 IKEE Cc1cc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2ccccc2F)ccc1F 2322634748 AOOJZDWLBXCCPT-UHFFFAOYSA-N 441.861 5.840 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(F)c(C)c2)c1OCc1ccc(Cl)cc1Cl 2322638104 NNLLMCSSBALERV-UHFFFAOYSA-N 445.317 6.925 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OC(=O)c4ccc(C)cc4)ccc3C2=O)cc1 2322671606 VMWXOJUSDZOCDJ-UHFFFAOYSA-N 427.500 5.677 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccccc4Cl)c3C)C2=O)cc1 2322725001 LJBZBLPYVURQBH-UHFFFAOYSA-N 434.875 5.883 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)C=Cc4ccc(C(C)C)cc4)c3C)C2=O)o1 2323510758 LFRGQLGDTBZERI-UHFFFAOYSA-N 428.484 6.255 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2)C3=O)cc1 2323887706 UTJCJSDBKMOUTA-UHFFFAOYSA-N 428.440 5.146 30 10 IKEE C=CCOc1c(Cl)cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc1OCC 2324265221 YKOYWGRINYUZJP-UHFFFAOYSA-N 428.956 6.640 30 10 IKEE Cc1c(O[C@H](C)C(=O)Nc2ccc(F)cc2)ccc2c1OC(=Cc1ccccc1F)C2=O 2324319675 AHLXUHSPRYYHEL-OAHLLOKOSA-N 435.426 5.295 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OCc3ccccc3C)c(OC)c2)c(OC)c1 2324471041 KVFAKKMYWZMUPZ-UHFFFAOYSA-N 448.515 5.505 30 10 IKEE CCOc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1 2324521311 HBXVBSYCSWADFO-INIZCTEOSA-N 447.462 5.247 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)ccc1OCC(=O)OCC(C)C 2324521913 QYZZUIJNZNRSNY-UHFFFAOYSA-N 446.927 5.140 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)cc1Cl 2324623609 IOAYGWKHGDTUMN-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C(C)C)cc4)ccc3C2=O)cc1 2325318323 SFUMXXBCUZKMOM-UHFFFAOYSA-N 427.500 5.752 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccc(Cl)cc4)c3C)C2=O)c1 2325513702 IWCWPWOXJCRDAF-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE O=C(C=Cc1cccc(OCc2ccccc2)c1)C(=O)Nc1cccc(Br)c1 2325669410 KNSAGKNKYURHTK-UHFFFAOYSA-N 436.305 5.249 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1OC(=O)C1CCCC1 2325715934 JJGMCBCHNLHTKY-UHFFFAOYSA-N 429.310 5.449 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1ccco1)C2=O)Nc1cc(Cl)ccc1Cl 2325724392 WPWTXGHZFWFRAW-UHFFFAOYSA-N 430.243 5.220 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1OC(=O)c1ccccc1[N+](=O)[O-] 2325729753 QKZZBCAKHNETKQ-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(Cl)cc2)c1)c1ccc(Cl)c(Cl)c1 2325737111 PQGAAISYFPTKBJ-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(C)cc3)c2)cc1 2325738723 CYQNDEVVAXLTJT-UHFFFAOYSA-N 430.500 5.908 30 10 IKEE CCCC(=O)Oc1cc(C=CC(=O)c2cc(C)ccc2C)c(Br)cc1OC 2325740306 XAYWVDOBGJPTTJ-UHFFFAOYSA-N 431.326 5.676 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(F)cc3F)c2)cc1F 2325748224 RDMDIBXGYDXPSH-UHFFFAOYSA-N 442.389 5.236 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OC(=O)CCc1ccccc1C 2325750400 JDMJXTYUZFRYKO-UHFFFAOYSA-N 442.555 6.561 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1OC(=O)c1ccc(F)c(F)c1F 2325750954 FMKQRFSAIQBISH-UHFFFAOYSA-N 430.353 5.367 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(C=CC(=O)c3ccc(F)c(F)c3)ccc2OC)c1 2325753356 SJICDYVMZKXSGB-UHFFFAOYSA-N 438.426 5.487 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1OC(=O)c1ccc(F)cc1 2325756390 UOQKNMMSEQGNQQ-UHFFFAOYSA-N 432.491 6.183 30 10 IKEE CCSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1cccc(C)c1 2325883140 BAWDBSPDXBELHL-UHFFFAOYSA-N 430.577 5.746 30 10 IKEE COc1ccc(CCc2nnc(SCc3ccccc3)n2N=Cc2ccccc2C)cc1 2328577633 HGCSCJBNHBPSQU-UHFFFAOYSA-N 442.588 5.555 30 10 IKEE C=C(C)CSc1nnc(COc2cccc(C)c2C)n1N=Cc1ccc(C(C)C)cc1 2328846737 APNVRVKJTRBVDS-UHFFFAOYSA-N 434.609 6.148 30 10 IKEE CCSc1nnc(COc2ccc(C)cc2C)n1N=Cc1c(Cl)cccc1Cl 2328893368 ZMWGFMOWOYGECJ-UHFFFAOYSA-N 435.380 5.775 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccc(C)cc3)n2N=Cc2ccccc2F)cc1 2329242409 SDGDOJNIHOBHMZ-UHFFFAOYSA-N 446.551 5.500 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2C)n1N=Cc1ccccc1F 2329473251 VEBHBAYQCAQTFY-UHFFFAOYSA-N 444.579 5.994 30 10 IKEE Fc1ccccc1C=Nn1c(Cc2ccccc2F)nnc1SCCc1ccccc1 2329758330 HEQAGHGGSDQFMO-UHFFFAOYSA-N 434.515 5.364 30 10 IKEE Cc1ccsc1C=Nn1c(SCc2cccc(F)c2)nnc1[C@@H](C)c1ccccc1 2330078567 RPAMLJCGURKAMT-KRWDZBQOSA-N 436.581 6.113 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)C=Cc1ccc(Cl)c(Cl)c1)c1ccccc1 2330534966 XQDOCMKRDKIXML-QFIPXVFZSA-N 429.347 5.065 30 10 IKEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1cc(C)cc(C)c1 2330648004 YDESAEIHYWNBON-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)cc(Cl)c1OC(=O)c1ccccn1 2330752550 OQZHBHQBOVJGJG-UHFFFAOYSA-N 435.907 5.811 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1Br)c1cccs1 2330929405 JLWDPZNNBAULQG-UHFFFAOYSA-N 447.737 6.279 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)cc3)cc2)cc1 2330952151 MXOLPYDLNWDRSH-UHFFFAOYSA-N 444.527 5.918 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(C2CCCC2)n1N=Cc1ccncc1 2331081316 DXTRJJWTVCCPAV-UHFFFAOYSA-N 432.380 5.812 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)c(Cl)c1)c1ccccc1 2331167797 WRCJVNQWCUMUII-WOJBJXKFSA-N 437.322 6.599 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)COc1c(C)ccc(C)c1C 2331183647 TVRPKAAXHFJYOS-UHFFFAOYSA-N 430.500 5.501 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)CCCOc3ccccc3)cc2)c1 2331378656 MNYKYLOHNYGCBQ-UHFFFAOYSA-N 446.499 5.365 30 10 IKEE COc1cc(C=CC(=O)N[C@@H](C#N)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 2331473805 DOOJGCCXHQXMGF-QHCPKHFHSA-N 446.934 5.630 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)CC(C)(C)C 2331500009 OJFXXUDHUQACJP-UHFFFAOYSA-N 442.983 7.100 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3ccco3)c(OC)c2)c(C)c1C 2331608825 SRWRYWATEIPJLM-UHFFFAOYSA-N 440.879 5.682 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccc(C)cc3C)cc2)c(OC)c1 2331716808 SDTTXDLPRHBGTD-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE CN(C[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2365118242 YNSYIUKVKOMRKI-DEOSSOPVSA-N 447.432 5.075 30 10 IKEE CCCCCCCCOc1ccccc1CC(=O)N[C@H](Cc1ccccc1)c1ccccc1 14262009 XUCJTVYTRXSOJC-MUUNZHRXSA-N 443.631 7.069 30 10 IKEE O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccc(O)c([N+](=O)[O-])c1)Nc1ccccc1N2 21219204 DPLRJNQUZZXSFB-SSOJOUAXSA-N 427.460 5.280 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCc4c(Cl)cccc4Cl)ccc3C2=O)cc1 39754069 DJNUEBJLMPUDDU-FMCGGJTJSA-N 441.310 6.587 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN(CCc2ccc(F)cc2)C3)C1=O 41587863 AYVMWUUULYFNCJ-OYKKKHCWSA-N 429.491 5.453 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccc(OC)cc3)CO4)C2=O)cc1 41656147 DCEKSRAONLUFAG-QFEZKATASA-N 443.499 5.062 30 10 IKEE C=C(C)COc1ccc(NC(=O)CNc2ccc(OCCOc3ccccc3)cc2)cc1 66227892 KVAPKTQTPPOBGV-UHFFFAOYSA-N 432.520 5.150 30 10 IKEE C=C(C)COc1ccc(NC(=O)CNCCCCCCCCCCCCCCCC)cc1 100055751 APMSPNOBFOXCMB-UHFFFAOYSA-N 444.704 7.651 30 10 IKEE COc1ccc(/C=C\C(=O)c2ccc3ccccc3c2O)cc1COc1ccc(Cl)cc1 102644961 MCYBNSXGBIWKQK-NSIKDUERSA-N 444.914 6.683 30 10 IKEE CCCCCCCCN(CCCCCCCC)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 104777756 QEDYUMPGHKTOFC-UHFFFAOYSA-N 435.565 6.666 30 10 IKEE CCCCCCCCN1C(=O)/C(=C\C2=Cc3cccc(OC)c3O[C@H]2C)SC1=S 110900107 LLCQCHZZOQGXRA-WLVMFVESSA-N 431.623 5.964 30 10 IKEE N#C[C@@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccc(F)cc1F 111030998 PVZCUCQJAVXKMW-GOSISDBHSA-N 443.793 5.313 30 10 IKEE COc1cccc(-c2csc(N/N=C\c3cc(Br)cc(OC)c3OC)n2)c1 169940146 PRRVMWSJOVRMIQ-FBHDLOMBSA-N 448.342 5.044 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccc2OC)cc1C 169941882 OMJWGGYNGLUIDP-XMMPIXPASA-N 443.499 5.104 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc(F)cc2)=C(O)C(=O)N1c1cc(C)ccc1C 169943721 NTTPOLFUDNMHCM-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2cccc(C)c2)cc1 169970179 WPPWXLSGNDOSFU-QHCPKHFHSA-N 447.918 5.830 30 10 IKEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@H]1c1cccs1)c1cc2ccccc2o1 169989865 YTEVHRYMHJKBPK-FQEVSTJZSA-N 441.468 5.154 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2ccc(C)c(C)c2)=C(N(C)c2ccccc2)C1=O 170000773 MMUNGKVMPIMYBK-UHFFFAOYSA-N 446.635 6.660 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccncc1 170022181 SFHALNWYBVKXGG-HXUWFJFHSA-N 439.298 5.480 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cccc3ccccc23)ccc1F 170044773 CGZLMDHFGDGYRB-NTKDMRAZSA-N 445.490 5.045 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1c[nH]c2ccccc12 170075022 BURZDKAXHMZJFR-DEOSSOPVSA-N 438.483 5.268 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2C)c1 170086744 PXVPZTKLQKWGIM-DEOSSOPVSA-N 427.500 5.485 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2cccs2)cc1C 170158053 CWLANMMGSOWIOC-XMMPIXPASA-N 439.536 6.301 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)cc1C 170159735 UHBMTWXMVHRNQH-HSZRJFAPSA-N 447.556 5.937 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1cccc2ccccc12 170221144 LSPSIECVNBYMLK-XMMPIXPASA-N 429.516 5.615 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccccc2)cc1 170223137 WVQNZPPDUKYEST-QHCPKHFHSA-N 449.453 5.535 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccccc2)cc1C 170225955 YDXKEJUTXZYWPO-XMMPIXPASA-N 427.500 5.403 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2)c1 170227066 CLUWMIRGRFUPIJ-DEOSSOPVSA-N 427.500 5.567 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2)c1 170230361 AJKATQOVWFOVCJ-QHCPKHFHSA-N 431.488 5.093 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@@H]1c1ccc(CC)cc1 170267603 WYGMRZGRLCRHLR-QFIPXVFZSA-N 441.955 5.680 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2ccco2)cc1C(C)C 170287924 XMSQSBLPYCYFDB-QHCPKHFHSA-N 447.487 5.203 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2Cc2ccc(F)cc2)o1 170311226 JXWFMOFSPIZTSL-XMMPIXPASA-N 441.458 5.659 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)cc(Cl)c2OC)[C@@H]1c1sccc1C 170318949 HIPALYWVHYIDPE-OAHLLOKOSA-N 440.348 5.360 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2ccc(OCC(C)C)cc2)cc1 170350309 UFLYJQLEXBTNDV-XMMPIXPASA-N 442.515 5.208 30 10 IKEE CCCCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2ccc(CC)cc2)cc1 170391804 QPHWDYWAQKFYGV-RUZDIDTESA-N 440.543 5.770 30 10 IKEE CCOC(=O)C1=C(Nc2ccc(C(F)(F)F)cc2)S/C(=C\c2ccc(O)c(C)c2)C1=O 206886838 LFHJBSLTBLDGJW-BOPFTXTBSA-N 449.450 5.263 30 10 IKEE CSc1nc(Nc2ccc(Nc3ccccc3)cc2)c(C#N)c(-c2cccc(Cl)c2)n1 243255539 KSFAGFIUNJMLGG-UHFFFAOYSA-N 443.963 6.878 30 10 IKEE C=CCn1c(-c2cccc([N+](=O)[O-])c2)csc1=Nc1ccc(N=Nc2ccccc2)cc1 254306595 BBCGEOKSUREYKT-UHFFFAOYSA-N 441.516 6.959 30 10 IKEE CCN(CC)c1ccc(/C=C2/CCC(C=NN=Cc3ccccc3)=C2N2CCOCC2)cc1 254744707 TXIZNGFYAHEFAQ-CYQDSXBLSA-N 442.607 5.401 30 10 IKEE COc1ccc(C=NNC(=S)Nc2ccc(Cl)cc2)cc1CSCc1ccco1 254836719 VLKRULCIKXYHJA-UHFFFAOYSA-N 445.997 5.696 30 10 IKEE COc1ccc(-c2cc(C(C)=NOCc3ccc(F)cc3)c(C)n2-c2ccccc2F)cc1 254855351 XWZBDQJVALTDIS-UHFFFAOYSA-N 446.497 6.680 30 10 IKEE CCCCOc1ccc([C@H]2C=C[C@@H](c3ccc(OCCCC)cc3)[C@@H](C#N)[C@@H]2C#N)cc1 256432900 QKLHVENVSYUZRM-JUDWXZBOSA-N 428.576 6.761 30 10 IKEE Cc1ccc([C@H]2C(c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2c2cccc(C#N)c2)o1 526522149 PUHQXUSODNIGLF-FQEVSTJZSA-N 425.271 5.824 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccnc2)c1 526604651 KNBOTNWRPAEOJX-DEOSSOPVSA-N 425.488 5.189 30 10 IKEE COc1ccc([C@H]2C(c3cccc4ccccc34)=C(O)C(=O)N2c2ccccc2C#N)cc1 526611598 WNNYQMNCOOZNAA-SANMLTNESA-N 432.479 5.777 30 10 IKEE CC(C)c1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(SCc3ccco3)C2=O)cc1 526668868 WRNKCQXKRRGCDT-UHFFFAOYSA-N 443.528 5.405 30 10 IKEE CC(C)(C)c1ccc(CSc2nncn2/N=C\c2ccc(O)c(Br)c2)cc1 526805066 DMWFVRIEVXSIHL-KSEXSDGBSA-N 445.386 5.218 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1cn(CC)c2ccccc12 526807303 UAWXIQAGDQKXRD-QFEZKATASA-N 438.000 6.033 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1ccccc1C(F)(F)F 526808902 QUTABTNAASDUSI-WGARJPEWSA-N 432.515 6.122 30 10 IKEE CCOc1cc(/C=N\n2c(C)nnc2SCc2ccc(C)cc2C)ccc1OC(C)C 526810659 FWJJNBCWJYGCOE-QFEZKATASA-N 438.597 5.564 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1cccc(OC)c1OC 526812850 OVJKRYIVXJDITG-OYKKKHCWSA-N 444.988 5.466 30 10 IKEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1ccc(O)c(Cl)c1 526813929 GSXYGSFGHSBZKN-WNFQYIGGSA-N 427.744 5.427 30 10 IKEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1ccc(OCC(C)C)cc1 526814632 NHOZPXKXYLVSJP-MYKKPKGFSA-N 449.407 6.103 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCc2ccccc2C1 698402733 AKWVCPSGAFZONS-QFIPXVFZSA-N 427.342 5.642 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1cc(F)c(F)c(F)c1 698455836 LVXKFFJNPPGNAJ-MRXNPFEDSA-N 441.247 5.873 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@]1(C#N)CCc2cc(Br)ccc2C1 698873305 IRSLOUUUIKYVMA-OAQYLSRUSA-N 447.398 5.699 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@@H](C#N)c1ccc(Br)s1 698892047 QOAIRQHGBPACHN-ZDUSSCGKSA-N 427.751 6.170 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@@]1(C#N)CCc2ccc(Br)cc21 698892331 NEXRQUFCBKOHFX-OAQYLSRUSA-N 431.305 5.695 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C#N)(Cc1cccc(Cl)c1Br)C2 719428460 AAGOBXRYDTYGPZ-GJZGRUSLSA-N 439.781 5.717 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Cl)c1Br)NCC 719507931 WYENSSYJVOFFSX-IAGOWNOFSA-N 445.829 5.483 30 10 IKEE C=CCN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](Cc1ccccc1)C(=O)O 725241136 YXCOMOPHVALDPN-VWLOTQADSA-N 427.500 5.119 30 10 IKEE CC(=NNc1nc(SCc2nnc(-c3ccccc3)o2)n[nH]1)C12CC3CC(CC(C3)C1)C2 1084071434 CWWZCEBTSVTUSA-UHFFFAOYSA-N 449.584 5.151 30 10 IKEE O=C(Oc1cccc(C=Nc2ccc(Cl)cc2)c1)c1sc2ccccc2c1Cl 1084487272 GKJVIYAFIAKNPP-UHFFFAOYSA-N 426.324 7.178 30 10 IKEE COc1ccc(-c2ccccc2)cc1N/C(=N/Cc1ccc(CN)cc1)NC1CCCCC1 1088684275 KPWHNLSXKZASFH-UHFFFAOYSA-N 442.607 5.711 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)SC1=Nc1nccs1 1772733097 GZZVYTONUWXZFF-BNCGLULESA-N 440.506 5.244 30 10 IKEE Cc1ccccc1C=NN=C1S/C(=C/c2ccc(N(C)C)cc2)C(=O)N1Cc1ccco1 1772757159 MKTRHMGNFZSGSC-ZVOXDSDJSA-N 444.560 5.161 30 10 IKEE Cc1sc2nc(-c3ccccc3)n(Cc3cccc(C#N)c3)c(=O)c2c1-c1cccs1 1857802238 AVLLXBSOZSXXCT-UHFFFAOYSA-N 439.565 6.082 30 10 IKEE CCc1ccc(NC(=S)N/N=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 1857811492 RZKGHKIOECRULM-YUMHPJSZSA-N 443.551 5.561 30 10 IKEE CCN(CC)c1ccc(NC(=O)Nc2ncccc2OCc2ccc(C#N)cc2)c(C)c1 1858866716 WCWDLYDXDGOBAN-UHFFFAOYSA-N 429.524 5.331 30 10 IKEE CC(C)COc1ccc(CC(=O)Nc2cccc(C(=O)Nc3ccccc3C#N)c2)cc1 1859118427 DWTQLHSPFPCIHH-UHFFFAOYSA-N 427.504 5.027 30 10 IKEE N#Cc1cccc(COc2ccc(NC(=O)CC(c3ccccc3)c3ccccc3)cc2)c1 1860146491 XPDNSFFZNROQDM-UHFFFAOYSA-N 432.523 6.298 30 10 IKEE CCc1ccc(-c2csc(NC(=O)C(=O)Nc3scc(C(C)(C)C)c3C#N)n2)cc1 1860768072 UWJBOFGXJZETEC-UHFFFAOYSA-N 438.578 5.180 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1cccc(F)c1 1862413899 NDBBARONFUCZHK-GCJKJVERSA-N 445.481 6.041 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862442644 TYFQAQXCKNBJIF-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1c(Cl)cccc1Cl)c1c(F)cc(F)cc1F 1862467658 UBQXTVAVABRMTJ-KRWDZBQOSA-N 442.220 5.151 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2cccc(F)c2)c1 1862488779 IEGCXAGBMJUIMH-XMMPIXPASA-N 429.491 5.264 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2cccc(OC)c2)cc1 1862517065 DNDJCLQJOONGAI-QHCPKHFHSA-N 437.536 5.108 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccccc1C 1862523132 ACQKALUHXVYUHC-IBGZPJMESA-N 428.326 5.136 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccc(C)cc2)cc1 1862534641 WKNLWPUYPZSHPU-CLOONOSVSA-N 425.528 5.897 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C2CCCCCC2)c1 1862544284 ZPCQLUVYSNBPIO-AREMUKBSSA-N 443.587 6.175 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C2CC2)cc1 1862553116 HOZXUASNHSAAJZ-RUZDIDTESA-N 444.575 5.152 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(F)c1 1862582008 UJJKPORGNXSWBY-IBGZPJMESA-N 436.310 5.901 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(C(=O)O)cc1 1862615120 HTCIEDMMXGMABN-VFNWGFHPSA-N 435.520 5.059 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2ccc(F)cc2)cc1F 1862638474 BZDWUNJQXSLSNB-HSZRJFAPSA-N 449.453 5.060 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(Br)cc1 1862670107 MDCUFJYPKCTODK-HXUWFJFHSA-N 440.337 5.337 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc2cc[nH]c2c1 1862679013 UCJIPBYRGKTEKD-QPPBQGQZSA-N 448.538 6.244 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862703271 SLLUOMMYAUGXRS-VWLOTQADSA-N 445.559 5.726 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccc4ccccc4c3)C(=O)N(c3ccccc3C#N)C2=O)c1 1863036777 FNQYWECBUUQKLP-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C)c2C)=C(c2cc(C)ccc2C)C1=O 1863395922 IDKFNHRVNNEGGK-UHFFFAOYSA-N 432.608 6.473 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N1CCNC[C@@H]1c1ccccc1 1866342677 UOEREPBDZFSQSR-HHHXNRCGSA-N 428.705 7.421 30 10 IKEE CCCC[C@@H](NC(=O)C[C@@H](c1ccc(F)c(C)c1)C(C)C)C(=O)Nc1ccccc1C#N 1866766409 NEWZCUCYZJCPAQ-ZJSXRUAMSA-N 437.559 5.449 30 10 IKEE CCCCCCOc1ccc(NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)cc1 1868171784 RTSZZSVIKICZFX-JOCHJYFZSA-N 425.598 5.623 30 10 IKEE CCCCCCCOc1cn(C[C@@H]2CCCO2)c(CNc2ccc(Cl)c(C)c2)cc1=O 1870833153 ACCORJDQKUNVPX-QFIPXVFZSA-N 447.019 5.950 30 10 IKEE C=CCn1cc(OCc2c(C)cccc2C)c(=O)cc1CNc1ccc(C(F)(F)F)cc1 1870920765 UQFSEMZUZQBDPW-UHFFFAOYSA-N 442.481 5.861 30 10 IKEE C=CCn1cc(OCCCCOc2ccccc2)c(=O)cc1CNc1ccc(C(C)C)cc1 1871224129 OPSRHQFZTZFECF-UHFFFAOYSA-N 446.591 6.008 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/C=C/c1ccccc1)O3)CN(Cc1cccc(Cl)c1)CO2 1871347926 FKUIWGCLVPTIJC-LMKPGGDOSA-N 443.930 6.173 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3c(ccc4c3CN([C@@H]3CCCC[C@@H]3C)CO4)C2=O)c1 1871350597 MDHKGTCUGRVCJV-RBKSVUBWSA-N 435.520 5.051 30 10 IKEE CCc1ccc([C@@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2ccccc2C)C4=O)cc1 1871354180 JHCQIBLRSLGMBL-APQFFPOMSA-N 425.528 6.087 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c3C)C2=O)cc1 1871370925 IDBJPBKZHDCCOQ-HMAPJEAMSA-N 429.428 5.301 30 10 IKEE Cc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc2c1C(=O)/C(=C/c1cccs1)O2 1871374165 VCTSJRBNCIZUSH-ZDLGFXPLSA-N 441.848 5.454 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4cc5ccccc5oc4=O)cc(C)c3C2=O)cc1 1871378818 AYIHMWKLRJYRAM-FMCGGJTJSA-N 438.435 5.245 30 10 IKEE O=C1/C(=C/c2c(Cl)cccc2Cl)Oc2cc(OCCCc3ccccc3)ccc21 1871399284 IKYKHLBNWXRUBI-HAHDFKILSA-N 425.311 6.621 30 10 IKEE Cc1c(O[C@@H](C)C(=O)Nc2ccccc2)ccc2c1O/C(=C\c1cccc(Cl)c1)C2=O 1871403846 BMRPXPASEWSWPC-VOMLJKFNSA-N 433.891 5.671 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3cc(OCCOc4ccc(C)cc4)cc(C)c3C2=O)c1 1871404647 BAZCBIJTNSWUKY-MYYYXRDXSA-N 446.499 5.395 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(O[C@@H](C)C(=O)Nc3ccc(Cl)cc3)cc(C)c2C1=O 1871414215 KBACJIXXFQTQAX-ICODJCHTSA-N 447.918 5.979 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1cc(C)c2c(c1)O/C(=C\c1cccs1)C2=O 1871429498 QAVHECJBKRWZRN-SLOMDMAXSA-N 428.550 5.954 30 10 IKEE C=CCN(CC=C)c1nc(=NCCC2=CCCCC2)nc(Nc2ccc(C(C)C)cc2)[nH]1 1871505570 FLKKLCHQUMWBPD-UHFFFAOYSA-N 432.616 5.641 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(CCCC)cc1)[C@@H](C)CC)S(=O)(=O)c1cccs1 1871830942 ARBGXHQJOLZXGC-AVRDEDQJSA-N 448.654 5.321 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(F)cc1 1871984550 RMIRHQDQXRAJMY-HSZRJFAPSA-N 446.588 5.063 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)c(F)c1)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872087623 PNTNKSKQDADXBM-WZONZLPQSA-N 446.588 5.063 30 10 IKEE COc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3cc(C)ccc3OC)cs2)cc1 1872771523 WMOAYTBYBLDIHC-FQEVSTJZSA-N 436.533 5.171 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccc(Cl)cc3)n2)c1C 1872781305 RWFPHWLQQBQVDY-YLJYHZDGSA-N 438.980 6.341 30 10 IKEE Cc1nc(SCc2ccc(C(=O)NCCc3ccc(F)cc3)cc2)c(C#N)c(C)c1C 1872895067 AMWMXTGHGUQYMM-UHFFFAOYSA-N 433.552 5.282 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1cccc(Cl)c1 1874282809 ALJMNEUAIGIKLZ-ZMOGYAJESA-N 431.392 5.921 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccc(C)cc3C)n2/N=C/c2ccc[nH]2)cc1 1874325364 LQVXASHFFCKOLR-VULFUBBASA-N 431.565 5.285 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cc(C)ccc3C)n2/N=C/c2cccs2)cc1 1874389297 MFKAEQIDRBCTPS-MFKUBSTISA-N 432.618 6.030 30 10 IKEE Cc1ccc(CSc2nnc([C@@H](C)c3ccccc3)n2/N=C/c2ccccc2O)cc1 1874391340 DJCNUHCMMLXCDS-JHKMYFMNSA-N 428.561 5.618 30 10 IKEE CCCSc1nnc(CCc2ccccc2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874404589 GCXQTLDXEJKWTL-HYARGMPZSA-N 429.933 5.009 30 10 IKEE Cc1cccc(CSc2nnc(-c3cccs3)n2/N=C/c2ccc(C(=O)O)cc2)c1 1874422110 VDVLYRDFAYAUPI-YDZHTSKRSA-N 434.546 5.188 30 10 IKEE C=CCSc1nnc(-c2ccccc2)n1/N=C/c1ccc(OCc2ccc(C)cc2)cc1 1874429240 YXUNQGHNJADUQJ-OVVQPSECSA-N 440.572 5.993 30 10 IKEE COc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2cccc(C)c2)c1OC 1874437834 VVFBNFHGUCWQPM-MFKUBSTISA-N 438.597 5.367 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccc(Cl)cc1 1874439297 UWIIASMEPSSFJT-YDZHTSKRSA-N 443.960 5.603 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccco2)cc1 1874466152 SUZAGWBRYLOAPC-OEAKJJBVSA-N 433.493 5.183 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C2CC2)cc1 1874521066 ZMFROWICBPPFHR-WYMPLXKRSA-N 431.392 6.199 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2ccccc2Cl)c(C)c1 1874523011 UJKDZFWMENCKNO-WYMPLXKRSA-N 439.972 5.039 30 10 IKEE CCCCCCOc1ccc(/C=N/n2cnnc2SCc2ccccc2C)cc1OC 1874534435 ITDCMVSMGSPSQV-WGOQTCKBSA-N 438.597 5.729 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)N[C@H](C)c2ccccc2)c(C)c1C 1874586456 OGUKIYCZEBJNAW-DGWAXEAPSA-N 443.543 5.464 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OCc1c(F)cccc1Cl 1874595442 LNJWVITUCLHPER-VZUCSPMQSA-N 431.290 6.616 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OCc1ccccc1F 1874603115 JUTCVRFBLRLNCN-RVDMUPIBSA-N 426.487 6.853 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)c(Cl)c2)c1 1874618183 NXXQQEIUSTULGJ-RPAADVPWSA-N 447.962 6.109 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3C)cc2)cc1 1874625760 UYUHICPQKJPPMW-KGENOOAVSA-N 442.599 7.819 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1C 1874636507 DNTAHAKQBJXXBO-CSKARUKUSA-N 441.354 7.094 30 10 IKEE CCOc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)c2)cc1 1874710986 OUNDDCANDSKJRV-NTCAYCPXSA-N 442.555 6.363 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1OC(=O)c1ccc(C)cc1 1874712752 PDZPQWWBNNVPQE-MDWZMJQESA-N 430.500 5.744 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(OC)cc2)CSc2nnc(CCCC)n21 1874895158 DCIARDCGPDZKJN-OAQYLSRUSA-N 444.645 5.692 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)cc2)c(Cl)c1)c1ccc2c(c1)CCCC2 1875097142 XCPLQRSVHCGOMV-WLRTZDKTSA-N 434.894 6.473 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc(Cl)c1OC(=O)C(C)(C)C 1875099428 IJWYPSCFYJLMNX-CSKARUKUSA-N 446.927 5.604 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1OC(=O)CC 1875105152 GNPZYDNFMHPRBI-VMPITWQZSA-N 427.711 6.257 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)c1cccc(C)c1 1875111385 HKTGAJWZTIYDLP-ZHACJKMWSA-N 441.310 6.426 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)CCCSC)c(OC)c2)cc1 1875129223 QEJCOMUHEZMHJH-KPKJPENVSA-N 448.968 5.692 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)CCc1ccccc1C 1875133889 KSYMZOPSDMBAMS-RVDMUPIBSA-N 442.555 6.445 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)cc2)c1 1875137893 JWUFGOBEGFESMT-BPNKPRMTSA-N 442.555 6.696 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OC(=O)Cc1ccc(C)cc1 1875154394 BZIHKRYUGXIDOR-JQIJEIRASA-N 436.507 6.201 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc([N+](=O)[O-])c1OC(=O)C(C)C 1875169059 HMILNZRBMXPLBA-MDZDMXLPSA-N 439.508 5.685 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc(Cl)c1OC(=O)C(F)(F)F 1875169594 PBWFZQGARYQZLM-AATRIKPKSA-N 442.817 5.338 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1C 1875187266 VUEPBDTWHHXDQG-DTQAZKPQSA-N 436.507 6.581 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N1CCCC1)n2CCCC 1875212472 XXTLBPGQIANEDX-UHFFFAOYSA-N 427.637 6.020 30 10 IKEE CC1(C)OB([C@@]23C[C@H]2CCN(Cc2ccc(Br)cc2Cl)C3)OC1(C)C 1879792119 DQKMSPXRTKXKQN-AUUYWEPGSA-N 426.591 5.161 30 10 IKEE C[C@H](C#N)c1cccc(C(=O)N2CCC(c3ccc4cc(-c5ccncc5)cnc4n3)CC2)c1 1891370650 NTZXKBKAPMWTAE-LJQANCHMSA-N 447.542 5.339 30 10 IKEE O=C(Nc1cccc(C(F)(F)F)c1F)N1CC[C@@H](Cc2ccc(C(F)(F)F)cc2)C1 1891371137 ZAYUKPXNFFYLEU-ZDUSSCGKSA-N 434.355 5.960 30 10 IKEE N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)[C@H](Sc3ccccc3)c3ccccc3)C2)c1 1891478389 OAJQYWJAVJXVCB-PXDATVDWSA-N 443.572 5.104 30 10 IKEE CCN(CC)c1cccc(OCC#CCNC(=O)c2ccc(Oc3ccccc3)cc2)c1 1891717083 YPUASDDCQYCFHJ-UHFFFAOYSA-N 428.532 5.137 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(F)c(Br)cc1F 1894937570 GATJAKICFDJORZ-IRXDYDNUSA-N 433.337 5.237 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@@](C)(C#N)N(C(=O)OC(C)(C)C)C2CCCC2)cc1 1940974602 WFSUUPATKAMUMK-XMMPIXPASA-N 429.561 5.952 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CN(C(=O)OC(C)(C)C)C(C)(C)C2)c1 1949597819 ZDDAKJZDDUNNEW-DEOSSOPVSA-N 429.561 5.418 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1c(Br)ccc(Cl)c1F 2037655046 WCGFKSVEXPIQAT-CZUORRHYSA-N 435.765 5.362 30 10 IKEE CC1(C)CC[C@](C#N)(N(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)[C@H](OCc2ccccc2)C1 2043782066 ZSKOJJZQNZIKMY-VVZHRXSXSA-N 442.600 5.460 30 10 IKEE Cc1ccc([C@@H](n2nc(C(F)(F)F)c(C#N)c2I)C(C)(C)C)cc1 2079041107 VOSOPJXTDRSOTQ-CQSZACIVSA-N 447.242 5.322 30 10 IKEE CC[C@@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)(F)F)c(C(=O)OC)c1Cl 2080054550 RLOTVVPZMPRDNG-JTQLQIEISA-N 432.723 5.499 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@@H]2Nc2ccc(C#N)c(Br)c2F)C1 2162323793 QIJOZJSIDIDTCO-MGPUTAFESA-N 438.341 5.051 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCC[C@H]2Nc2ccc(Br)cc2C#N)CC1 2162398421 VBBUMJLRPIGPLM-GOSISDBHSA-N 434.378 5.302 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](Nc2cc(Br)cc(F)c2C#N)[C@@H]1C(C)(C)C 2192474572 LKAHJULGMYNNJZ-DOTOQJQBSA-N 440.357 5.296 30 10 IKEE C=CCCCCCCC[C@H](N)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2220083343 FUEORKYXNZLFDW-IGKIAQTJSA-N 444.660 6.074 30 10 IKEE CC[C@@H]1CC=C(C(=O)[C@H](Cc2ccccc2Br)NC(=O)OC(C)(C)C)CC1 2237427344 XOKVIPBRNJKBHG-BEFAXECRSA-N 436.390 5.591 30 10 IKEE CCN[C@@H](C#Cc1ccc(Cl)cc1)c1scc(Br)c1Br 2239567174 DRJLFNVOSLRFMC-ZDUSSCGKSA-N 433.596 5.629 30 10 IKEE C=CCCC1([C@H](NCCC)c2cscc2Br)CN(C(=O)OC(C)(C)C)C1 2266313424 SXGDBNHZQGSDPO-QGZVFWFLSA-N 443.451 5.755 30 10 IKEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)Nc1ccccc1OCc1ccccc1 2267104856 CSBOOODIDGRHJS-UHFFFAOYSA-N 449.381 5.187 30 10 IKEE C=CC[C@@]1(COc2cc(C)c(Br)cn2)CCCN(C(=O)OC(C)(C)C)C1 2272227438 COTVXSDKWXFTJY-HXUWFJFHSA-N 425.367 5.125 30 10 IKEE Oc1cc(N=CC=Cc2ccc(Cl)cc2Cl)ccc1-c1nc2ccccc2s1 2297451658 VZVIXTXZGMNUNK-UHFFFAOYSA-N 425.340 7.391 30 10 IKEE CCOc1ccc(N=C2SC(=Cc3cc(Br)ccc3O)C(=O)N2CC)cc1 2297461811 CILVFJKZIRTHOJ-UHFFFAOYSA-N 447.354 5.177 30 10 IKEE CN1C(=O)C(=Cc2ccc(OCc3ccccc3)cc2)SC1=Nc1cccc(C(=O)O)c1 2297722688 SGAPMZGCDITLEU-UHFFFAOYSA-N 444.512 5.198 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@H]2CC[C@H]1C[C@]2(C)NC(=O)OC(C)(C)C 2307593643 TVFNFGYZUMYFDJ-HJOCRKTISA-N 435.609 5.245 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CC2)c(OC)c1 2320879142 YJVPAKQBULKUAP-UHFFFAOYSA-N 428.945 5.001 30 10 IKEE O=[N+]([O-])c1ccccc1C=Nn1c(SCc2ccc(Cl)c(Cl)c2)nnc1C1CC1 2320892144 RAAXEVYVWHVNAH-UHFFFAOYSA-N 448.335 5.545 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)cc1 2321297541 MPWRVGZPCFLOJY-WOJBJXKFSA-N 441.572 5.418 30 10 IKEE Cc1c(OCc2ccc(Br)cc2)ccc2c1OC(=Cc1ccc(F)cc1)C2=O 2321844734 YLWUWFVHJDXXLY-UHFFFAOYSA-N 439.280 6.092 30 10 IKEE CCCOC(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccc(Cl)cc1Cl 2322383913 JEZYHPQSWPCTRA-UHFFFAOYSA-N 443.326 6.375 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3ccccc3c2C=CC(=O)c2cc(C)ccc2C)c1 2322617325 YDWGZRVCBLWBKX-UHFFFAOYSA-N 449.550 6.679 30 10 IKEE Cc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(-c4ccccc4)cc2)C3=O)cc1 2322681032 YIVDANWQUNDSOE-UHFFFAOYSA-N 446.502 6.806 30 10 IKEE Cc1c(OC(=O)c2ccccc2F)ccc2c1OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2322795505 RHETYBAPCMTIAE-UHFFFAOYSA-N 430.475 6.267 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cc(Cl)ccc2OCc2ccc(C)cc2)cc1C(C)C 2322799263 LJVSPXXLPOGRCV-UHFFFAOYSA-N 448.990 7.564 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccccc1OCC(=O)Nc1ccc(C)cc1 2322922779 XMTDRYVOGODBLV-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OC(=O)CCCOc3ccccc3)c2C)C1=O 2323181879 MXMLVPOGAZIQJM-UHFFFAOYSA-N 428.484 5.684 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)Cc4ccc(Cl)c(Cl)c4)ccc3C2=O)cc1 2323417026 AJFYTZUTTUZAOV-UHFFFAOYSA-N 439.294 6.066 30 10 IKEE Cc1c(OC(=O)c2cccc(OCC(C)C)c2)ccc2c1OC(=Cc1ccc(F)cc1)C2=O 2323580154 ADXAAVOYDIAFSX-UHFFFAOYSA-N 446.474 6.004 30 10 IKEE CCCCCCCCN1C(=O)C(=Cc2ccc(OCCC)c(OCC)c2)SC1=S 2323720638 RHRMLOSOMCGQDS-UHFFFAOYSA-N 435.655 6.436 30 10 IKEE COC(=O)c1ccc(C=C2Oc3c(ccc(OC(=O)C=Cc4ccccc4)c3C)C2=O)cc1 2323745779 IZVFHICAQBUWOJ-UHFFFAOYSA-N 440.451 5.017 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OCC(=O)NC1CCCCC1 2323865468 GOCDPXBJTMBLJT-UHFFFAOYSA-N 435.564 5.426 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 2324175942 YDONITRQTOLESM-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCCc3ccccc3)c(Br)c2)cc1C 2324449157 VARHFVDAFXXCEW-UHFFFAOYSA-N 435.361 6.584 30 10 IKEE N#C[C@@H](C(=O)C=Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(Cl)cc2)cs1 2324490793 OVOXSGKTXLBRMU-HNNXBMFYSA-N 433.747 6.660 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)c(C)c1 2324494672 TWDLDACWMBYSKK-SFHVURJKSA-N 445.490 5.773 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1Cl 2324610033 AWRFZDLPVZHRIB-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccc(Cl)cc2)C3=O)c(C)c1 2324893236 VLPNTVJHAUKTKH-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(F)c(F)c2)cc2c1C(=O)C(=Cc1ccccc1F)O2 2325522084 QIEATMHNKLSJGJ-UHFFFAOYSA-N 439.389 5.046 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cccc(OC)c3)c2)cc1 2325733511 BGKCEASPNSALTM-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2cccc(C=CC(=O)c3ccc(C(C)C)cc3)c2)c1 2325750620 CIIYTFWDJPUHGG-UHFFFAOYSA-N 430.500 5.943 30 10 IKEE Cc1nnc(SCc2ccccc2)n1N=Cc1cccc(OCc2ccc(Cl)cc2)c1 2326211413 OUUCDVSYBMGGKH-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE CSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc(Cl)cc1Cl 2326567593 QCNAVBGVALPMEI-UHFFFAOYSA-N 441.387 6.127 30 10 IKEE CCCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(OCC(C)C)cc1 2326733833 XXFZJFHLUGOQSQ-UHFFFAOYSA-N 426.561 5.579 30 10 IKEE Cc1ccc(OCc2nnc(SCCc3ccccc3)n2N=Cc2ccncc2)c(C)c1 2328902380 HLVJARXGCINTOJ-UHFFFAOYSA-N 443.576 5.086 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SCCO)nnc2-c2ccccc2Cl)cc1 2329618175 TWLCIRVTLKDFTB-UHFFFAOYSA-N 444.988 5.134 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](NC(=O)C=Cc1ccc(Cl)cc1Cl)c1ccccc1 2330440108 QCYNYKLJSJOUFD-JOCHJYFZSA-N 429.347 5.065 30 10 IKEE CCN(Cc1ccccc1)c1ccc(C=Nn2c(SC)nnc2-c2ccccc2)cc1 2330623561 HTPICBWOEVUASS-UHFFFAOYSA-N 427.577 5.576 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 2330795218 VWAJBSJSLWWFOR-UHFFFAOYSA-N 447.443 5.117 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccs3)c(OCC)c2)cc1 2330842415 IMJYKPAJVACKLX-UHFFFAOYSA-N 434.557 6.605 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(C)c3)cc2)cc1 2330855615 KYKQCUXQLVYGSS-UHFFFAOYSA-N 446.499 5.283 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)ccc1OC(=O)COc1ccccc1 2330943979 YEPLBGLHSXSYQV-UHFFFAOYSA-N 436.891 5.619 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccco3)n2N=Cc2cccc3ccccc23)c1 2331211254 XCFRMAXRTXGPDF-UHFFFAOYSA-N 438.556 6.483 30 10 IKEE Cc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)c(Cl)c3)cc2Cl)c1 2331242324 OTFAJPGYELCTRB-UHFFFAOYSA-N 445.729 7.071 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1N=Cc1ccc(C)cc1 2331320129 PRNFNWWYNUDTEX-UHFFFAOYSA-N 435.597 5.159 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)c1ccncc1 2331340495 HRHRBZDGDSCLGW-UHFFFAOYSA-N 439.870 5.697 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2sccc2C)c(Cl)c1 2331358761 LBABVBJASWQDIJ-UHFFFAOYSA-N 426.921 6.142 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC(=O)CCc1ccccc1C 2331376949 NWZVQBOLGIXPBR-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE CC(C)(C)c1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1cccs1 2331400621 CJZOXLIFNFLFIJ-UHFFFAOYSA-N 425.410 6.118 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C(C)(C)C)cc1 2331412554 IZEBMRREHOGOSJ-UHFFFAOYSA-N 449.407 6.066 30 10 IKEE Cc1cnc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2[N+](=O)[O-])cn1 2331416738 NMDSQVJNYPVFDX-UHFFFAOYSA-N 445.475 5.106 30 10 IKEE CCCOc1cccc(C=Nn2c(CC(C)C)nnc2SCc2cc(C)ccc2C)c1 2331456387 IFBHIOIIVCZEAJ-UHFFFAOYSA-N 436.625 6.057 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(N(C)C)cc2)cc1 2331753549 INBMJUYYDGFEOX-UHFFFAOYSA-N 449.934 5.838 30 10 IKEE N#Cc1ccc(F)c(CSc2cc(I)ccc2Br)c1 2338404780 WKVBKNVKGAOTIR-UHFFFAOYSA-N 448.098 5.357 30 10 IKEE C=CCC(CC=C)[C@H](NCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2338736055 QQBRTKGGHVBELL-PMERELPUSA-N 441.615 7.264 30 10 IKEE CC1(C)OB(c2cc(Cl)cnc2Oc2cc(Cl)ccc2Br)OC1(C)C 2339446426 NKVSQJYIGBNQDM-UHFFFAOYSA-N 444.949 5.242 30 10 IKEE N#Cc1ccc(OCc2c(Br)cccc2Br)cc1Br 2340640876 OZUXJYYPULTAOM-UHFFFAOYSA-N 445.936 5.425 30 10 IKEE N#Cc1cc(NCc2ccc(I)c(Br)c2)ccc1Cl 2349855660 MQBNSZKNNSDDGD-UHFFFAOYSA-N 447.501 5.191 30 10 IKEE COc1ccc(C(=O)[C@@H]2[C@@H](c3ccsc3)C(C#N)(C#N)[C@@H]3c4ccccc4C=CN23)cc1 988717 APCLDDMGYLAZJK-CUYJMHBOSA-N 437.524 5.167 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C/C=C/c2ccccc2OC)C3=O)cc1 2097183 OWXVZQKTMABCDS-OMWDWZJHSA-N 428.440 5.095 30 10 IKEE CC1=C(C(=O)Nc2ccc(F)cc2F)[C@@H](c2ccccc2Cl)C2=C(CCCC2=O)N1 10013488 FJSMDQJXVWOXQR-OAQYLSRUSA-N 428.866 5.225 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)c2cc(Cl)ccc2Cl)nc2c(C)cccc12 12240267 XUEYFOJCHHTDRT-UHFFFAOYSA-N 436.302 5.468 30 10 IKEE O=S(=O)(NC1CCCCC1)c1ccc(/N=C/c2cccc(OCc3ccccc3)c2)cc1 13977434 BPILDYSVUQTGQZ-ZXVVBBHZSA-N 448.588 5.627 30 10 IKEE N#CC1(c2ccc(NC(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)cc2)CCCC1 20496761 QBFOGUFYYBWINV-UHFFFAOYSA-N 425.315 6.841 30 10 IKEE Cc1ccccc1NC(=O)c1cc2ccccc2c(/C=N/c2ccc([N+](=O)[O-])cc2O)c1O 27531073 SIXPAKGLZODCKV-VULFUBBASA-N 441.443 5.471 30 10 IKEE O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cccc(NC(=O)c2ccccc2)c1 28357366 BRBNCHVADBZXEI-FYWRMAATSA-N 438.439 6.003 30 10 IKEE Cc1cccc(NC(=NC(=O)c2ccccc2)N2CCN(c3cc(C)ccc3C)CC2)c1 32946323 ISZJOMWBVCGNCZ-UHFFFAOYSA-N 426.564 5.042 30 10 IKEE O=C(COc1ccc(Br)cc1)Nc1ccc(/C=C\C(=O)c2cccs2)cc1 33447937 JTQGBWOINHISMD-XGICHPGQSA-N 442.334 5.424 30 10 IKEE COc1ccc(/C=C\C(=O)c2ccc(OC(=O)c3ccc(C)cc3)cc2)c(OC)c1OC 33737115 VEZKSGMIWGTDTD-PTNGSMBKSA-N 432.472 5.136 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)/C=C\c3ccccc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 33916924 PRLQUNVZZGGPIB-ODTUPPAISA-N 440.455 5.086 30 10 IKEE C=CCC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C(C)C 36302023 CXLRXWXUOYAIBV-QHCPKHFHSA-N 449.595 5.519 30 10 IKEE Clc1cccc(/C=N/c2ccc(Oc3ccc(/N=C/c4cccc(Cl)c4)cc3)cc2)c1 59514108 RETYHWSYHKBUCV-YAGSLNJISA-N 445.349 8.287 30 10 IKEE Cc1ccc(Cn2nc(C)c(/C=C/C(=O)Nc3cccc(OCCCC#N)c3)c2C)cc1 59770230 JKUFXYDBMSQCNY-BUHFOSPRSA-N 428.536 5.191 30 10 IKEE Cc1cc(Cl)ccc1NC(=O)CSCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 96538282 ZUXQLCGOGXDNJT-GFCCVEGCSA-N 448.013 5.017 30 10 IKEE CCCCCCCCCCCCCCCCNC(=S)NC(=O)c1ccccc1OC 100029371 CQSDYYZSNZOLLW-UHFFFAOYSA-N 434.690 6.781 30 10 IKEE CCCCCCCOc1cccc(NCC(=O)Nc2ccc(NC(=O)CCC)cc2)c1 100090258 XYAIGDQYZLCDRW-UHFFFAOYSA-N 425.573 5.825 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2cccc(OCC(C)C)c2)cc1 100216610 QHNHEYYLFXVVCX-UHFFFAOYSA-N 442.625 6.197 30 10 IKEE CCN1C(=O)/C(=C/c2cccc(Cl)c2)S/C1=N/c1nc(-c2ccccc2)cs1 101130312 KHFVSEKKLUEGSG-FKHPOCDDSA-N 425.966 6.087 30 10 IKEE CCCCCCCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccccc1F 101286266 GULLFLAQKKWZIN-XMMPIXPASA-N 435.543 6.368 30 10 IKEE CCCCCCCCCCCCCC(=O)N(CCCOC)CC(=O)Nc1cc(C)on1 103000686 TZMSPZXNRJBFTO-UHFFFAOYSA-N 437.625 5.488 30 10 IKEE Cc1nc(N2C(=O)C(=O)/C(=C(\O)c3ccccc3)[C@H]2c2ccc(C(C)C)cc2)sc1C 103221423 MXMUOWKXALQQEG-SADKCHQCSA-N 432.545 5.510 30 10 IKEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1Cl 107879509 ZJOAUVMNKKLGSL-HXUWFJFHSA-N 446.894 5.730 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 169925375 IIABMHDRIFQJLM-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE CC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc(OCc2c(Cl)cccc2Cl)cc1 169936802 SXJYVNYFWVNLJZ-HXUWFJFHSA-N 435.376 5.296 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1c1cccc(C)c1 169941747 OBKAPNVKDOZFQZ-AREMUKBSSA-N 449.506 5.940 30 10 IKEE CCCOc1c(OC)cc(/C=N\Nc2nc(-c3ccccc3)c(C)s2)cc1[N+](=O)[O-] 169943263 FXHMPRHNBADKFT-XKZIYDEJSA-N 426.498 5.270 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc(F)cc2)=C(O)C(=O)N1c1cccc(C)c1C 169944217 NNIHDTAJAPSPTL-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2ccncc2)ccc1F 170018910 UVAAVQAGHPQOPG-NRFANRHFSA-N 436.870 5.274 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(OC)cc2)=C(N(CC)c2ccccc2)C1=O 170030525 UBVPFSILJOIFEE-UHFFFAOYSA-N 434.580 5.662 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@@H]1c1ccccc1 170052103 WSHQQHPPPCTQSC-DEOSSOPVSA-N 431.919 5.750 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1 170064335 GNGROQQXFRTUQJ-HXUWFJFHSA-N 427.353 5.026 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccc(C)o2)c1 170099909 BSRQFIGFKBRXQW-HSZRJFAPSA-N 430.504 5.054 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(N(C)C)cc2)c1 170129837 MFWUQNAJBVNANZ-XMMPIXPASA-N 448.563 5.061 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2cccs2)c(C)c1 170160877 SNQFCDVZILGIER-HSZRJFAPSA-N 445.540 5.473 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(Cl)c3)[C@@H]2c2ccccn2)c1 170170568 KQERJJUHJWJGKT-FQEVSTJZSA-N 439.298 5.480 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(OC)ccc3Cl)[C@@H]2c2ccncc2)cc1 170201246 HWENPXUEGVRKRV-QFIPXVFZSA-N 448.906 5.089 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccccc1 170221601 OVNNBIMWRMUQGQ-HXUWFJFHSA-N 439.920 5.189 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)cc1C 170238673 WYNIRSOOAVKISF-HSZRJFAPSA-N 449.453 5.455 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccccc2F)c1 170248607 UYKSLVQLVDGGHZ-RUZDIDTESA-N 437.470 6.070 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@H]1c1ccccc1C 170277244 NJFXIWHRIFLGNC-OAQYLSRUSA-N 427.928 5.426 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1ccco1 170283515 TVIULFQCWNXLDZ-QFIPXVFZSA-N 447.487 5.074 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccco1 170294987 KFWSATGGMXSYTN-JOCHJYFZSA-N 425.525 5.391 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2cc(F)ccc2F)o1 170306265 MKYNVPXXRWRHJK-QHCPKHFHSA-N 445.421 5.802 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2sccc2C)cc1C 170314989 NLBCJFJANZEYRJ-NRFANRHFSA-N 433.529 5.547 30 10 IKEE CCOc1cc([N+](=O)[O-])cc(C=Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1O 254793001 VQXHLYXACXISBL-UHFFFAOYSA-N 433.489 6.035 30 10 IKEE Cc1cc(C)c(N=C2[C@@H](N3CCCCC3)C3(CCCCC3)C(=O)N2c2ccccc2)c(C)c1 254839598 BYFFSGOEORCNAM-AREMUKBSSA-N 443.635 6.494 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2c(C)n(C)c3ccccc23)cc1 526487065 UHEPGDHMZJBMHX-SANMLTNESA-N 449.510 5.424 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3ccc(Cl)c(Cl)c3)[C@H]2c2cccc(O)c2)c1 526520486 GOBZOZSEKMEQOK-OAQYLSRUSA-N 437.282 5.628 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cn(C)c3ccccc23)c1 526605377 BFWULAPYJDSMTQ-SANMLTNESA-N 449.510 5.506 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(OC(C)C)cc2)c1 526607544 XTQNRQSPKACRMZ-RUZDIDTESA-N 440.499 5.411 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1ccc(OCC)cc1OCC 526803141 SKPGYBJALRBXSM-MYYYXRDXSA-N 442.560 5.342 30 10 IKEE Oc1ccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccccc2F)cc1 526803722 JUYAZICQXCXIPI-QQXSKIMKSA-N 432.524 5.083 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1cccc(OCC)c1OC 526809873 WROIHYIWTUPVRR-MYYYXRDXSA-N 438.597 5.429 30 10 IKEE CCOc1ccc(/C=N\n2cnnc2SCc2ccc(C)cc2C)cc1Br 526810756 KRYNRXVJQTYTAA-KSEXSDGBSA-N 445.386 5.231 30 10 IKEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1c(F)cccc1Cl 526815152 WHLZKCUOQBLKOT-UYOCIXKTSA-N 429.735 5.860 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1cccc([N+](=O)[O-])c1 526824144 MNPLIQJAMWHDGB-FBHDLOMBSA-N 436.324 5.230 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1cc2cscc2s1 693975390 ROKCYLMSYBXWCR-OAHLLOKOSA-N 449.395 6.732 30 10 IKEE CCCCCCCC[C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 705430072 IQHWDEYIUFRPRL-ZKMPZPQNSA-N 448.692 6.604 30 10 IKEE C=C(CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]1CC[C@H]1[C@H]2CC[C@@H]2C(C)(C)C(=O)CC[C@]12C 936069330 DFILFAVPSDARMK-BPCAHNMESA-N 444.700 6.319 30 10 IKEE COc1cc(C=Nc2nc(-c3ccc(C)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)ccc1O 1084547416 YVGFCIAXXMCXLQ-UHFFFAOYSA-N 445.500 6.159 30 10 IKEE CN1C(=O)/C(=C\C(Cl)=C\c2ccccc2)SC1=Nc1nc(-c2ccccc2)cs1 1772736404 JFZGEKGLDWXPMH-KZGAIZSTSA-N 437.977 6.167 30 10 IKEE COc1cc(CN(Cc2cccnc2)C(=O)c2cccc(C#N)c2)ccc1OC1CCCC1 1857973667 QCIFKUKMTLPUSY-UHFFFAOYSA-N 441.531 5.126 30 10 IKEE N#Cc1c(O)nc(SC(c2ccccc2)c2ccccc2)nc1-c1cccc(Cl)c1 1860466115 HAOJCZKWIFDNII-UHFFFAOYSA-N 429.932 6.256 30 10 IKEE CCCOc1ccc(/C=C/C(=O)C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1OC 1860728320 IUOOFIAQSUJMOX-OQLLNIDSSA-N 430.504 5.449 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)Cc1ccc(OCCC)c(C)c1 1860981742 WFSSTPLKQZNCDI-QHCPKHFHSA-N 432.649 5.478 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)c1ccc(OCC)cc1 1861370605 AAMZYXFHHLDZSL-JOCHJYFZSA-N 436.662 5.194 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(C)cc1 1862379941 PDTIOBAKDVBOKJ-HXUWFJFHSA-N 432.347 6.070 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(O)cc1 1862411664 MRFHPMLOQYVYDF-VGOFRKELSA-N 443.490 5.608 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@@H]2c2ccc(C)cc2)cc1 1862412678 KPNWDHLKHJNKSW-DEOSSOPVSA-N 447.481 5.403 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)c(OCCC)c2)[C@H]1c1cccc(C)c1 1862425993 LCKYMECINQGQIS-XMMPIXPASA-N 449.547 5.337 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCOc2ccccc2)cc1 1862429802 VOKFYCWUPIKOEO-HSZRJFAPSA-N 447.918 5.306 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc2cc[nH]c2c1 1862446058 KIGWRTKTSZTHIX-AECOYVPUSA-N 448.950 5.978 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862478233 BRMAKYXITBBLFF-XMMPIXPASA-N 445.490 5.311 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2cccc3ccccc23)ccc1F 1862505654 QUEDQYUMYOWDIT-DEOSSOPVSA-N 431.507 5.912 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(C)cc1 1862508185 YLMBZFFPBYQTJX-QHCPKHFHSA-N 439.527 5.228 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 1862530006 MHBJRHPYUIGXNL-BXKMTCNYSA-N 429.491 5.728 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc(Cl)c1 1862675795 UGTYMRQSZOTIGY-NYHFZMIOSA-N 435.882 5.819 30 10 IKEE Cc1cc(C)cc(NC2=C(c3cccc4ccccc34)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1862849347 KNZMCTNDJBAYGZ-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE Cc1cc(C2=C(Nc3ccc(Cl)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)ccc1F 1863093588 WKKUZPMTPYEYRK-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2Cl)C(=O)N(CCC(C)C)C1=O 1863783998 AYJIETPLCLIDIA-UHFFFAOYSA-N 433.036 6.196 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(Cc2ccccc2)cc1 1866029697 BPCOYQGNKHXDRE-UHFFFAOYSA-N 449.723 9.477 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1cc(C(C)C)cc(C(C)C)c1 1866030016 UIUIGVPRVLCCLO-UHFFFAOYSA-N 443.760 10.133 30 10 IKEE CCc1nc2c(C)cccc2c(C(=O)Nc2ccc(C#N)cc2C(=O)c2cccc(C)c2)c1C 1866273596 ONKVYMPHHRHEGP-UHFFFAOYSA-N 447.538 6.077 30 10 IKEE N#Cc1ccccc1NC(=O)[C@@H](NC(=O)[C@H](c1ccc(Cl)cc1)C1CC1)c1ccccc1 1867002940 YPGOEDJCFSSULN-ZEQRLZLVSA-N 443.934 5.201 30 10 IKEE CCCC[C@H](NC(=O)[C@H](c1ccc(OC)cc1)C1CCCC1)C(=O)Nc1ccccc1C#N 1867011893 RNDPDFHQJYJNTO-DQEYMECFSA-N 447.579 5.154 30 10 IKEE C=CCn1cc(OCC2CCCCC2)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870275690 DWXBAKFTMITFBZ-UHFFFAOYSA-N 437.609 5.478 30 10 IKEE C=CCn1cc(OCC2CCCCC2)c(=O)cc1CN1CCC(Cc2ccccc2)CC1 1870482046 ABEDBWHGDIGOTO-UHFFFAOYSA-N 434.624 5.448 30 10 IKEE CCCCCCCCn1cc(OCc2c(C)cccc2C)c(=O)cc1CNc1ccccc1 1870920988 LOBZDACXANPOCS-UHFFFAOYSA-N 446.635 7.017 30 10 IKEE CCCCCCCCn1cc(OCc2cccc(F)c2)c(=O)cc1CNc1ccccc1 1871063645 ZCNRDVSGZPCRNX-UHFFFAOYSA-N 436.571 6.539 30 10 IKEE C=CCn1cc(OCCCOc2cccc(C)c2)c(=O)cc1CNc1ccc2cc[nH]c2c1 1871220127 TXQPAGDQZLUQPT-UHFFFAOYSA-N 443.547 5.284 30 10 IKEE C=CCn1cc(OCc2ccccc2F)c(=O)cc1CNc1ccc(C(F)(F)F)cc1 1871244169 JEWTUTMKFMXBOU-UHFFFAOYSA-N 432.417 5.383 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccc(OC(C)(C)C)cc3)CO4)C2=O)o1 1871345246 ZORVVXJTFDTXQY-CFRMEGHHSA-N 445.515 5.734 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(Cl)cc1)C3=O)CN(CCCOC(C)C)CO2 1871351543 AMQPLKUWKHERIX-NHDPSOOVSA-N 427.928 5.232 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)c4c(F)cccc4Cl)ccc3C2=O)cc1 1871375439 LLEWYWYYGFEBAE-MTJSOVHGSA-N 438.838 5.713 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 1871377750 BSBDSCZLEJLGFD-NHDPSOOVSA-N 431.315 6.485 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(OC(C)C)cc4)c3C)C2=O)c1 1871388366 RKSWXEXMWIQBOE-IWIPYMOSSA-N 428.484 5.926 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O)c1cccc(OCc2ccccc2)c1 1871388677 ICGKUPGGSGJXLM-YUMHPJSZSA-N 448.474 6.101 30 10 IKEE CCOc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2sccc2C)C3=O)cc1 1871407478 NZFGXZWGZIIBLL-VOMLJKFNSA-N 449.528 5.477 30 10 IKEE Cc1c(OCc2ccc(C(=O)OC(C)C)cc2)ccc2c1O/C(=C\c1cccs1)C2=O 1871414283 LEBQDQYWXUMOJK-XKZIYDEJSA-N 434.513 5.817 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)c(C)c1 1871992047 DXGDRQIGPBLFAQ-XMMPIXPASA-N 442.625 5.294 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cccc(C(C)(C)C)c1)C(C)C)S(=O)(=O)c1cccs1 1872211467 DMMXOHAVVFWRSQ-OAQYLSRUSA-N 448.654 5.276 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cccc(Cl)c1)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872224355 HULVXWPFUOIMNE-QFIPXVFZSA-N 449.016 5.187 30 10 IKEE COc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 1872763165 GLYSLGJQINUXQP-RUJXFNLJSA-N 439.334 5.471 30 10 IKEE N#C[C@H](C(=O)/C=C/c1cccc(Cl)c1)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872788186 WOEMNQRGPSXPPX-IEXSPKMKSA-N 433.747 6.660 30 10 IKEE N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2)cc1 1872869649 LNBSCLXXRBWIKB-UHFFFAOYSA-N 434.495 5.969 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(-c3ccccc3)cc2)C(=O)N(C2CC2)C1=O 1873085744 DOWTXIOZBICCPE-UHFFFAOYSA-N 444.619 6.326 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2)C(=O)N(CCc2c[nH]c3ccccc23)C1=O 1873161170 JPXGBQSISAFHAK-UHFFFAOYSA-N 443.591 5.441 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccccc2F)=C(c2ccccc2C)C1=O 1873302983 MWWNWSYJAOBRFC-UHFFFAOYSA-N 436.571 6.467 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(C)ccc2C)=C(c2c(C)cc(C)cc2C)C1=O 1873331325 FJPVJHGQJZGZTQ-UHFFFAOYSA-N 446.635 6.781 30 10 IKEE CCCCCCCCC(=O)Nc1nnc(-c2ccc(Oc3ccc(F)cc3)cc2)s1 1873442824 QVMXKPZKTMSBBF-UHFFFAOYSA-N 427.545 6.826 30 10 IKEE CCCCCCCCNC(=O)c1cc2c(N3CCc4ccccc4C3)ncnc2n1CC 1873570433 SYYBXJDHIVEMAR-UHFFFAOYSA-N 433.600 5.104 30 10 IKEE CCCCCCCCNC(=O)c1cc2c(N(CCC)CCCC)ncnc2n1CCCC 1873580913 PCDSRDOIALCBCY-UHFFFAOYSA-N 443.680 6.338 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1ccccn1 1874202474 DFWZYINYUOASMC-VULFUBBASA-N 435.597 5.408 30 10 IKEE C=C(C)CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccncc1 1874217724 TVCVLASTZVUEQM-BHGWPJFGSA-N 427.961 5.073 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OC)cc2)n1/N=C/c1ccc(N(CC)CC)cc1 1874349542 RMXWWUOXDVUQGG-YZSQISJMSA-N 449.624 5.274 30 10 IKEE Cc1ccc(CSc2nnc(Cc3cccs3)n2/N=C/c2c[nH]c3ccccc23)cc1 1874411215 KPBCXHFSHDGPFJ-CVKSISIWSA-N 443.601 5.895 30 10 IKEE Oc1cccc(/C=N/n2c(Cc3cccs3)nnc2SCc2ccccc2Cl)c1 1874413407 RSDOBYFTMTZPBB-YDZHTSKRSA-N 440.981 5.464 30 10 IKEE Oc1cccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2-c2cccs2)c1 1874424531 PWUFAROKPKUVGK-WSDLNYQXSA-N 426.954 5.540 30 10 IKEE CCc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCC(=O)Nc2ccc(C)cc2)cc1 1874437907 ZMGBZZYWZUJMET-WGOQTCKBSA-N 449.624 5.351 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc([C@@H]2CCCO2)n1/N=C/c1ccccn1 1874449005 QAIGTBKCVZRFIK-HPMPDSITSA-N 434.352 5.006 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2ccc(Cl)c(Cl)c2)nnc1[C@H]1CCCO1 1874450614 GXLHJMHLSLLDCF-QVHMZZSFSA-N 447.391 5.919 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2cccc(F)c2)nnc1C1CCCC1 1874454394 JPPQUOWAFWNHFQ-WGOQTCKBSA-N 438.572 6.038 30 10 IKEE CCCOc1ccccc1/C=N/n1c(CCOC)nnc1SCc1cccc(Cl)c1 1874473899 CBOSULGRUOSLST-BUVRLJJBSA-N 444.988 5.084 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CC2)cc1OC 1874519704 HUUNIPZVVNAANC-FSJBWODESA-N 428.945 5.001 30 10 IKEE O=[N+]([O-])c1ccccc1/C=N/n1c(SCc2ccc(Cl)c(Cl)c2)nnc1C1CC1 1874523466 RAAXEVYVWHVNAH-LSHDLFTRSA-N 448.335 5.545 30 10 IKEE CCCOc1ccc(/C=N/n2c(CC)nnc2SCc2ccccc2F)cc1OCC 1874526756 FLVSZUICAHJMJJ-MFKUBSTISA-N 442.560 5.342 30 10 IKEE CCCCCOc1ccc(/C=N/n2cnnc2SCc2cccc(F)c2)cc1OC 1874538286 XENFSLSEKAAIFH-AFUMVMLFSA-N 428.533 5.169 30 10 IKEE CC(C)Cc1nnc(S)n1/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1 1874559357 MGMIUZPYVJPGML-FOKLQQMPSA-N 435.380 5.533 30 10 IKEE Sc1nnc(-c2ccco2)n1/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 1874559607 BJUBPAKBUFUNOH-FOKLQQMPSA-N 445.331 5.595 30 10 IKEE Cc1ccccc1COc1ccccc1/C=N/n1c(S)nnc1-c1ccccc1Cl 1874562254 KTDBWJOFXDXURC-AFUMVMLFSA-N 434.952 5.657 30 10 IKEE O=C(/C=C/c1cc(Br)ccc1OCc1ccccc1)c1ccc2ccccc2c1 1874571630 XRUPSVIUQLBLRU-WYMLVPIESA-N 443.340 7.077 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(F)cc2)cc1 1874575869 KWJVHSSBBIICDD-UUILKARUSA-N 439.870 5.401 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(F)cc2F)c1OCc1cccc(F)c1 1874576178 APUMOUFFPUFZQA-VMPITWQZSA-N 432.825 6.241 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(F)cc2F)c1OCc1ccc(F)cc1 1874576601 VRSKXRISFSTDHW-RUDMXATFSA-N 432.825 6.241 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(F)cc2)cc1C 1874587724 ASPSOEYWFCRLAY-VZUCSPMQSA-N 437.898 6.010 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(C)c(C)c2)cc1 1874587780 DDRKQLVPYHEWSJ-XYOKQWHBSA-N 433.935 6.179 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)c1OCc1ccc(C)cc1 1874592668 WEOMDDFUHFSVMT-FYWRMAATSA-N 448.515 5.505 30 10 IKEE CCOC(=O)c1ccc(COc2cc(/C=C/C(=O)c3ccc(C)cc3C)ccc2OC)o1 1874596411 NZZZSMCDCFVSLB-YRNVUSSQSA-N 434.488 5.557 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OCc1ccccc1F 1874603947 NFMZUVBODATWNM-SDNWHVSQSA-N 446.518 6.197 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cc1 1874609531 WXAGVFYRORUNSM-WUXMJOGZSA-N 439.870 5.401 30 10 IKEE C=C(C)COc1c(Cl)cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1OCC 1874615846 SBXWTGBVHJSMML-VMPITWQZSA-N 425.739 6.897 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc(OC)c1OCC(=C)C 1874638583 HVMITZOLCCCQRT-WYMLVPIESA-N 428.528 6.437 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1cccc(/C=C/C(=O)c2ccccc2Cl)c1 1874697342 ZMLMUGCXDZWWCD-FOCLMDBBSA-N 434.919 6.309 30 10 IKEE CCCCCCCCC(=O)Oc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OC 1874697387 VANWYTIVHUXRCE-JQIJEIRASA-N 428.956 6.901 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccccc3)c2)cc1 1874702070 RBVLXLMEWQHGCV-OQLLNIDSSA-N 430.500 5.528 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc(F)c2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 1875116705 OIPOFOBEVCMIFQ-ONNFQVAWSA-N 425.799 5.503 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)CC(C)(C)C 1875122762 SZPMIKDFYSJACG-DHZHZOJOSA-N 428.475 5.940 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1Cl 1875129091 KOXHNXLSEZDVMW-YRNVUSSQSA-N 437.835 5.372 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(Cl)c3)c(Cl)c2)c(C)c1 1875131680 JSSWGHYCZNEFMA-JXMROGBWSA-N 425.311 6.726 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)c1cccc(F)c1 1875138411 VKPHTZZLCOZTKL-ZHACJKMWSA-N 434.463 5.575 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(F)c3)cc2Cl)c1 1875152878 LDWWVDIDXHAJMK-RMKNXTFCSA-N 440.854 5.612 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3ccc(/C=C/C(=O)c4ccc(C(C)C)cc4)cc3)c(C)c2c1 1875155863 DJFCSYJHHVDBSM-LZYBPNLTSA-N 437.539 7.023 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2)cc1 1875156153 MEUVGXRJLBPOTP-UBKPWBPPSA-N 428.484 5.851 30 10 IKEE O=C(CCOc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1Cl 1875162909 WLHJWERHDGLOGG-UXBLZVDNSA-N 442.845 5.889 30 10 IKEE CCCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OC 1875164176 WMJDRJQPWIVCPA-VMPITWQZSA-N 439.252 5.338 30 10 IKEE CCc1ccc(C(=O)Oc2c(Cl)cc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2OC)cc1 1875175845 JMTYAIQYMMLEPH-UKTHLTGXSA-N 448.946 6.643 30 10 IKEE O=C(COCc1ccccc1)Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1 1875191340 ICXAPPXXTIUWMN-MDWZMJQESA-N 441.310 6.012 30 10 IKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C#N)c1ccc(Cl)cc1I 1904060308 RNCOCKGLQANKQJ-IAQYHMDHSA-N 448.732 5.545 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCC2(CCCCC2)C1 1915886461 RWHHTXUEBKGVTI-QFIPXVFZSA-N 433.390 6.587 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](CC1CCCC1)NC(=O)OC(C)(C)C 1926576273 ZZVDBZZUCNYHLX-DNQXCXABSA-N 430.633 5.601 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 1944568194 YQIQFZJWMVYLNB-MHECFPHRSA-N 429.561 5.405 30 10 IKEE CC[C@@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(C)c2)CN1C(=O)OC(C)(C)C 2040666799 FDYIRJUSLWQEMD-CLOONOSVSA-N 443.588 5.808 30 10 IKEE CCCCCCCCCC(=O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2041903735 SXEDWWUTGDASHA-MHZLTWQESA-N 445.644 6.540 30 10 IKEE C#CC(C)(C)C[C@H](NCCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2048685115 VHXWEVHXKWJBBV-WNCULLNHSA-N 442.644 5.248 30 10 IKEE C=CCOc1c(Br)cc(C=CC(=O)c2ccc(O)c(OC)c2)cc1OCC 2053606878 WMMRJZMTMJQSQJ-UHFFFAOYSA-N 433.298 5.023 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Cl)cc1Br 2077807672 XQPQDKOEIBDLHC-IAGOWNOFSA-N 431.802 5.613 30 10 IKEE CC[C@@H](c1ccc(C2CC2)cc1)n1nc(C2CCC2)c(C#N)c1I 2079040942 ULZDVQVORZLGRA-SFHVURJKSA-N 431.321 5.504 30 10 IKEE Cc1cc(C)c([C@H](n2nc(C(F)(F)F)c(C=NO)c2Br)C(C)(C)C)c(C)c1 2079860081 DXCVKOGOMRXQNL-INIZCTEOSA-N 446.311 6.033 30 10 IKEE CC(C)Oc1ccc([C@H](n2nc(C(C)C)c(C=NO)c2Br)C(C)(C)C)cc1 2080118155 PLAPBWXIMPMYCK-IBGZPJMESA-N 436.394 6.000 30 10 IKEE Cc1sc(C)c([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)c1Br 2092951950 CPBCBHVOMMWFCL-HNNXBMFYSA-N 439.350 6.273 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](Cc2ccc(Br)cc2Cl)NC)C1 2126684619 JJFOGWIPNVVUAW-QGZVFWFLSA-N 443.813 5.094 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CC12CCC(Nc1ccc(Br)c(C#N)c1)CC2 2158237888 IHTVLGXUHGWKCE-IZINQKCZSA-N 434.378 5.206 30 10 IKEE C[C@@H]1CC[C@]2(CSC(=Nc3ccc(Cl)c(I)c3Cl)N2)C1 2194661472 MWKRJSCXPKIBCM-XLKFXECMSA-N 441.165 5.481 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(Nc2ccccc2Br)C12CCCC2 2204346882 NHMCZEFQBFYQDK-FQEVSTJZSA-N 434.378 5.467 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 2213337868 WYLPZGQSMMKISS-YDLHNXBPSA-N 435.609 5.341 30 10 IKEE CCN[C@H](C#CP(C)(C)=O)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2218400978 UKDNXJZWQWYWRN-MRXNPFEDSA-N 429.295 5.030 30 10 IKEE C=CCCCCCCC[C@H](O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2220095189 ZJZPDIMOOBXIIS-DEOSSOPVSA-N 444.660 5.824 30 10 IKEE CCCCCCCC[C@@H](CO)N(C(=O)OC(C)(C)C)c1ccccc1Br 2227109534 ROUYREKOMXHHCZ-KRWDZBQOSA-N 428.411 6.302 30 10 IKEE Cc1sc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)c(Br)c1C 2229241915 VKTPQEZSDCKLAM-HNNXBMFYSA-N 439.350 6.273 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)CC1(NC(=O)OC(C)(C)C)CCCC1 2235719191 FRFMKWZOICFTJR-GOSISDBHSA-N 435.406 5.006 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1c(F)cc(F)cc1F 2235812632 BLTIKGFHHBPIIW-MRXNPFEDSA-N 441.247 5.873 30 10 IKEE C#CCCCCC[C@@H](NCCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2256705128 VBXHEJBGGYWCNK-XMMPIXPASA-N 442.644 5.392 30 10 IKEE Cc1ccc(Cl)c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)c1 2268109682 LPRVTLWKGCJQBY-GOSISDBHSA-N 435.749 6.417 30 10 IKEE C[C@@H]1CCCN(c2c(Br)cccc2C#N)[C@H]1CCCNC(=O)OC(C)(C)C 2285184164 ITDYJRMMECVRHV-QAPCUYQASA-N 436.394 5.231 30 10 IKEE CCn1cc(C=C2Oc3cc(OC(=O)C4CCCCC4)ccc3C2=O)c2cc(OC)ccc21 2296593668 DTPFJTDKDRQKOZ-UHFFFAOYSA-N 445.515 5.772 30 10 IKEE O=C1NC(=Nc2ccc(O)cc2)SC1=Cc1ccc(-c2ccc(Cl)c(Cl)c2)s1 2296885491 XFRMKSHAOIFRSJ-UHFFFAOYSA-N 447.368 6.319 30 10 IKEE Cc1cc(C)cc(N=C2NC(=O)C(=Cc3ccc(N(C)C)c(Br)c3)S2)c1 2297298398 IRVYREFMGMQWIV-UHFFFAOYSA-N 430.371 5.024 30 10 IKEE COC(=N[C@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl)c1ccc(C)cc1 2297453266 NTSSBJCZIZYUSP-MRXNPFEDSA-N 430.788 5.071 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@H]1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 2298584114 HFXGGURVLBGXAA-UEQSERJNSA-N 428.617 5.163 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)C(C)(C)[C@H]1CCCCN1C(=O)OC(C)(C)C 2300673575 JOGVGZHBXJEUQC-PKTZIBPZSA-N 430.633 5.553 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1cccs1)C2=O)c1ccc(Br)cc1 2314438171 JZNAHUSXZRDKKR-UHFFFAOYSA-N 427.275 5.346 30 10 IKEE O=C1NC(=Nc2ccc(Cl)cc2)C(=Cc2ccc(-c3c(Cl)cccc3Cl)o2)S1 2314482894 YUNWJIWXJIYGOJ-UHFFFAOYSA-N 449.746 7.434 30 10 IKEE O=C(O)c1cccc(N=C2SC(=Cc3c[nH]c4ccccc34)C(=O)N2C2CCCCC2)c1 2314548546 UYFRWGXXAFGOHH-UHFFFAOYSA-N 445.544 5.803 30 10 IKEE CCc1nnc(SCc2ccc(C)cc2)n1N=Cc1cccc(OCc2ccccc2)c1 2320923205 ZOMJFZCWMYEBCW-UHFFFAOYSA-N 442.588 5.902 30 10 IKEE Sc1nnc(C2CCCC2)n1N=Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1 2321928173 VHHASEIMIBUSTQ-UHFFFAOYSA-N 447.391 5.992 30 10 IKEE COc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(CCc1ccccc1)C3 2321936816 HNELMQLPRIWWME-UHFFFAOYSA-N 427.500 5.014 30 10 IKEE CCn1cc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(C2CCCC2)C4)c2ccccc21 2322016190 VUTSSFHKRQCQEQ-UHFFFAOYSA-N 428.532 5.680 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Br)ccc2OCc2cccc(C)c2)cc1 2322353494 JKWUMGUUGHAOLP-UHFFFAOYSA-N 435.361 6.795 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2c(F)cccc2Cl)cc1C 2322415723 IHLYTTIUQQWPOE-UHFFFAOYSA-N 445.317 6.925 30 10 IKEE COc1ccc([C@@H](C)N2COc3c(cc4c(c3C)OC(=Cc3ccccc3)C4=O)C2)cc1 2322437193 JYRNRFRXEDBHQH-GOSISDBHSA-N 427.500 5.533 30 10 IKEE CCCOC(=O)COc1ccc(Cl)cc1C=CC(=O)c1cccc(Br)c1 2322464982 NXDQCNNIZFODEK-UHFFFAOYSA-N 437.717 5.331 30 10 IKEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1ccc(F)cc1F)Nc1ccccc1F 2322502057 BPHKGBJFDSPOAV-UHFFFAOYSA-N 445.824 5.671 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(F)cc2F)c1OCc1c(F)cccc1Cl 2322502264 SLCYOJRLLCBSRP-UHFFFAOYSA-N 432.825 6.241 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(F)cc2F)c1OCc1ccc(Cl)c(Cl)c1 2322502268 SYNMADYMWRVGKP-UHFFFAOYSA-N 449.280 6.755 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)c1OCc1cccc(F)c1 2322585747 PWPLFSHDSQQQHV-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)C=Cc4ccc(F)cc4)ccc3C2=O)cc1OC 2323044030 CHURKPHBWNDLIX-UHFFFAOYSA-N 446.430 5.078 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCc3ccc(Cl)cc3)c2)cc1OC 2323057781 KIRIMEHDQNGTMK-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(OC(=O)CCCOc3ccccc3)c2C)C1=O 2323186966 OIRCSJZCAIJQFW-UHFFFAOYSA-N 434.513 5.746 30 10 IKEE Cc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2c(F)cccc2Cl)C3=O)cc1C 2323248180 MOSUXNYOAKCCNK-UHFFFAOYSA-N 436.866 6.240 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)c3cccc(OCC(C)C)c3)cc(C)c2C1=O 2323580865 UCQVPXFRNDCAIO-UHFFFAOYSA-N 442.511 6.174 30 10 IKEE CCCOc1ccc(C=NNc2nc(-c3cccc(OC)c3)cs2)cc1Br 2323840549 PYBQRGJXOWICKW-UHFFFAOYSA-N 446.370 5.816 30 10 IKEE COc1cc(C=NNc2nc(-c3cccs3)c(C)s2)cc(Br)c1OC 2323854606 BNUGJUULXKEVBZ-UHFFFAOYSA-N 438.372 5.406 30 10 IKEE CCCNC(=O)COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1OCC 2323890000 WLEOOJLJEBUUKU-UHFFFAOYSA-N 436.335 5.193 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(OC)ccc2OC)ccc1OCc1cc(C)ccc1C 2324025517 KBDDRCFQBOZWRE-UHFFFAOYSA-N 446.543 6.194 30 10 IKEE Cc1cc(O[C@H](C)C(=O)OC(C)C)cc2c1C(=O)C(=Cc1ccccc1Br)O2 2324305204 FISSKOFZZQYWOH-CQSZACIVSA-N 445.309 5.093 30 10 IKEE Cc1c(O[C@H](C)C(=O)OC(C)C)ccc2c1OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2324305602 OFEMXEPLIQTQRE-CYBMUJFWSA-N 435.303 5.637 30 10 IKEE Cc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1ccc(C(C)C)cc1)C2=O 2324406123 CANFTKXARHVNFR-LJQANCHMSA-N 441.527 6.141 30 10 IKEE COc1cccc(C=C2Oc3cc(OCCCCOc4ccccc4C)ccc3C2=O)c1 2324595502 RUPBFXIZSKDEET-UHFFFAOYSA-N 430.500 5.858 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1 2324651722 DXVBGSWDKFESRV-UHFFFAOYSA-N 440.326 6.215 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccccc1F)C2=O 2325005258 XNLMLWDADQQIOS-UHFFFAOYSA-N 445.490 5.639 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1cccs1)O2 2325513484 POQPAAIFQLVUAZ-UHFFFAOYSA-N 425.893 5.344 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(Cl)cc1Cl 2325603934 WEAUSMGTIHITAE-UHFFFAOYSA-N 441.387 6.475 30 10 IKEE CCCOc1c(C=Nn2cnnc2SCc2cccc3ccccc23)cccc1OC 2325666164 ZPWUDTSIQMFMQW-UHFFFAOYSA-N 432.549 5.403 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2cccc(C=CC(=O)c3ccc(F)cc3F)c2)c1 2325726225 GMPCFYDIIATOTO-UHFFFAOYSA-N 436.454 5.934 30 10 IKEE CCOc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3cc(C)cc(C)c3OC)c2)cc1 2325757450 CIOYMPCLTJPRRN-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1N=Cc1cccc(OCC)c1O 2326272672 TVIXPFDOBRFAOH-UHFFFAOYSA-N 428.533 5.039 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1ccc(C(C)(C)C)cc1 2326458302 QXBRCNLANSAKNV-UHFFFAOYSA-N 434.653 6.710 30 10 IKEE C=CCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1cccc(OCC)c1 2327032586 UYPPWLVMNPHOLX-UHFFFAOYSA-N 436.581 5.157 30 10 IKEE CCCc1ccc(OCc2nnc(SC)n2N=Cc2ccc(Cl)cc2Cl)cc1 2327320686 FBTLYEPZLKZTFJ-UHFFFAOYSA-N 435.380 5.721 30 10 IKEE CSc1nnc(Cc2cccc3ccccc23)n1N=Cc1cccc(Br)c1 2327715888 FUILVSZBQDLOEI-UHFFFAOYSA-N 437.366 5.389 30 10 IKEE C=CCSc1nnc(CCc2ccccc2OC)n1N=Cc1ccc(N(CC)CC)cc1 2328698196 RFESTJVCMSULPR-UHFFFAOYSA-N 449.624 5.078 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCC)nnc2-c2ccccc2Cl)cc1OC 2329561170 YNZVMBUCOSEQQY-UHFFFAOYSA-N 444.988 5.780 30 10 IKEE CCCSc1nnc(-c2ccccc2Cl)n1N=Cc1cc(OC)c(OC)c(OC)c1 2329602976 BWBCJRJMEIOFGQ-UHFFFAOYSA-N 446.960 5.009 30 10 IKEE CCCSc1nnc(CCc2cccs2)n1N=Cc1ccc(N(CC)CC)cc1 2329674045 DEYAMULHYHHIIA-UHFFFAOYSA-N 427.643 5.355 30 10 IKEE Cc1ccccc1CSc1nnc(CC2CCCCC2)n1N=Cc1ccc(C(C)C)cc1 2330232638 KZRBTBMFKJCWLM-UHFFFAOYSA-N 446.664 7.007 30 10 IKEE COc1cccc(C=Nn2c(SC)nnc2-c2ccccc2)c1OCc1cccc(C)c1 2330623918 SMLCVIKBTXHHNT-UHFFFAOYSA-N 444.560 5.445 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccccc3)n2N=Cc2cc(Cl)ccc2O)c1 2330647917 LPNSDNPYDJJYHU-UHFFFAOYSA-N 434.952 5.787 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(CC)cc3)cc2[N+](=O)[O-])c1 2330750092 ZFTBVAVVELXXEH-UHFFFAOYSA-N 445.471 5.671 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)ccc1OC(=O)c1ccc(Cl)cc1 2330765201 ZPWSLKXNJKLVAF-UHFFFAOYSA-N 434.919 6.416 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cc(C)ccc3C)c(OC)c2)cc1 2330770038 XMFLVFWBZILMIL-UHFFFAOYSA-N 428.528 5.919 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)(C)C)n2N=Cc2ccc(C(=O)O)cc2)c1 2330844985 IZVGYLBWSLLYNA-UHFFFAOYSA-N 436.581 5.356 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 2331051468 YACXKDDSKRGACV-QGZVFWFLSA-N 436.891 5.618 30 10 IKEE Cn1cc(C=Nn2c(SCc3ccccc3F)nnc2C(F)(F)F)c2ccccc21 2331136470 IGMQSRATNNUSCA-UHFFFAOYSA-N 433.434 5.102 30 10 IKEE CN(C)c1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C(F)(F)F)cc1 2331152825 ZSTBGDQPONHGTQ-UHFFFAOYSA-N 439.894 5.191 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)c1cc(C)cc(C)c1 2331231465 JIADHHJMQYHIKR-UHFFFAOYSA-N 428.528 6.434 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)Cc1ccc(F)cc1 2331318319 YJFIRCVEXVLJPH-UHFFFAOYSA-N 448.490 5.504 30 10 IKEE CCCCc1nnc(SCc2ccccc2C)n1N=Cc1cccc(OC)c1OCC 2331322822 VNUDKEFPVNAPFD-UHFFFAOYSA-N 438.597 5.511 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1ccccc1Cl 2331325153 PYNPYYZHVZBDQX-UHFFFAOYSA-N 445.951 5.026 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1cccc(OC)c1 2331344472 POCUZDDPZFULIV-UHFFFAOYSA-N 434.463 5.657 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2C(C)(C)C)cc1OC 2331361353 MFIIIRBEWKZISN-UHFFFAOYSA-N 438.597 5.466 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc(C)cc(C)c3)c(Cl)c2)cc1F 2331455860 TYUNFSMYFPWCJK-UHFFFAOYSA-N 438.882 6.220 30 10 IKEE CC(C)Cc1nnc(SCc2cccc3ccccc23)n1N=Cc1cccc(Cl)c1 2331464360 FYCAXGHRAUPKOO-UHFFFAOYSA-N 434.996 6.458 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3F)c(OC)c2)cc1F 2331467242 RYBXQFFZUBTRSV-UHFFFAOYSA-N 442.389 5.236 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1ccc(F)cc1 2331503110 UBHXKPMFAPPMPP-UHFFFAOYSA-N 432.491 6.463 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CCC2)c(OC)c1 2331539394 BEAHLGQBOHOMHK-UHFFFAOYSA-N 442.972 5.391 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)c1ccc(F)cc1 2331673309 GAUVEYBZYQQWEM-UHFFFAOYSA-N 434.463 5.575 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2[N+](=O)[O-])cc1 2331706749 UZUMITGOMIYGKI-UHFFFAOYSA-N 429.472 5.564 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1 2331764289 AMTKPDKIOWHLER-UHFFFAOYSA-N 428.528 6.055 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c(Cl)c2)c(C)c1 2331768747 UHTZNSVRDPTQEG-UHFFFAOYSA-N 449.890 6.289 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)O/C(=C/c2ccc([N+](=O)[O-])cc2)C3=O)cc1 2422749 MDHFDZWHPWSKMH-OEAKJJBVSA-N 443.455 5.728 30 10 IKEE Cc1ccc(N2C(=O)C(C)(C)[C@H](N3CCSCC3)/C2=N\c2ccc(Cl)cc2)cc1 15729245 DUBYTXIGAVLKOF-YXQDFNCHSA-N 428.001 5.169 30 10 IKEE C=CCN(C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccccc1 19197731 IQOPXJWNWUVIQM-UHFFFAOYSA-N 426.545 5.246 30 10 IKEE O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@@H](c1ccc(O)c([N+](=O)[O-])c1)Nc1ccccc1N2 21251254 IQFYJOASILEHTC-PUAOIOHZSA-N 445.450 5.419 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NC1CCCC1)[C@H]2c1ccccc1 21722089 AAXDOSGNAXKKMX-VWLOTQADSA-N 429.564 5.955 30 10 IKEE CCCOc1ccc(C(=O)/C(=C\c2cccc3ccccc23)c2nc3ccccc3o2)cc1 33788520 NOPUFJDAQHTPIL-NCELDCMTSA-N 433.507 7.193 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc2c(c1)OCO2 34954727 QTJSAKXUNZYMLI-XNWCZRBMSA-N 436.847 5.193 30 10 IKEE C=CCC[C@@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC 36302192 AEGMFGUUVQAPHG-HSZRJFAPSA-N 449.595 5.521 30 10 IKEE C=CCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2[C@H]1c1cccc(OCCC(C)C)c1 38593696 AXEBZPUECOLRDB-XMMPIXPASA-N 431.532 5.566 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1ccc(CC)cc1 40098295 CXQHXYJUOLQRQN-JOCHJYFZSA-N 433.504 5.382 30 10 IKEE C=CCc1ccccc1OCCCn1c(CCCNC(=O)C(CC)CC)nc2ccccc21 40204344 VSXKXGQQECXHDV-UHFFFAOYSA-N 447.623 5.719 30 10 IKEE C=CCc1ccccc1OCCCCn1c(Cc2ccccc2Cl)nc2ccccc21 40225839 CGVGMIMHUDIESI-UHFFFAOYSA-N 430.979 6.868 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OC(=O)c4cccc(F)c4)ccc3C2=O)c2ccccc21 41430827 XBGSSYIHPZJYCB-CFRMEGHHSA-N 427.431 5.636 30 10 IKEE COc1ccccc1N/C(=N\C(=O)c1ccc(C)c(F)c1)NCCc1c[nH]c2ccccc12 66437713 JNZRIAJXMYQVGY-UHFFFAOYSA-N 444.510 5.065 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3F)c(OCC)c2)SC1=S 83292925 WZKUWDSPMAERSL-MOSHPQCFSA-N 429.538 5.191 30 10 IKEE Oc1c(I)cc2oc3c(c2c1/C=N\C1CCCCCC1)CCCC3 100460547 GRBFZNXJOWEFAS-UUYOSTAYSA-N 437.321 5.764 30 10 IKEE CCCCCCCCCCn1c([C@H](C)NC(=O)COc2ccccc2)nc2ccccc21 102128208 PAVOPEWBTNMKEK-QFIPXVFZSA-N 435.612 6.433 30 10 IKEE C#CCOc1ccc(Br)cc1CNc1cc(Cl)ccc1Br 125262726 RRZDMMQVXRDLEY-UHFFFAOYSA-N 429.539 5.489 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\Nc2nc3ccccc3s2)cc1OCC 169890323 QCIRCTVNWQQISJ-XHPQRKPJSA-N 439.625 7.270 30 10 IKEE CCCc1nc2scc(-c3cc(C)ccc3OC)c2c(=O)n1Cc1cccc(C#N)c1 169904685 BYWKETXFUWTNHX-UHFFFAOYSA-N 429.545 5.315 30 10 IKEE CC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccc(OCc2c(Cl)cccc2Cl)cc1 169936807 SXJYVNYFWVNLJZ-FQEVSTJZSA-N 435.376 5.296 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2cccc(C)c2)cc1 169972084 APKLCWGQECHXCO-DEOSSOPVSA-N 445.490 5.230 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc([N+](=O)[O-])cc2)=C(N(C)c2ccccc2)C1=O 169979178 DKJMNYIPTJODNV-UHFFFAOYSA-N 435.524 5.172 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccccn1 169994469 RJLYQVUEUNFNRU-HXUWFJFHSA-N 439.298 5.480 30 10 IKEE CCCCCCCCN1C(=O)C(SCc2ccco2)=C(c2ccc(C)c(C)c2)C1=O 170001623 HUDGTLDNVDXCFM-UHFFFAOYSA-N 425.594 6.270 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@]2(C=C(B3OC(C)(C)C(C)(C)O3)c3ccccc3O2)CC1 170023251 MYWAKBYNAISWEY-VWLOTQADSA-N 441.377 5.254 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2c2ccc(C)cc2)c1 170036775 RJWYTZSIBOXYLV-VWLOTQADSA-N 441.527 5.739 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]2c2ccco2)cc1 170093930 QGNRYPFAQGMRQE-LJQANCHMSA-N 427.378 5.390 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2cccs2)cc1C 170160163 ZLVNZNPUPQVULO-QFIPXVFZSA-N 449.528 5.165 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(Cl)c3)[C@@H]2c2ccccn2)cc1 170170875 FMKJYBLTQXHMCO-QFIPXVFZSA-N 448.906 5.089 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccccn1)c1ccc2c(c1)CCCC2 170173500 SERLLTSYRKZZPE-HSZRJFAPSA-N 444.918 5.397 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccnc2)cc1C(C)C 170194049 RSBGIXQACMEIJR-XMMPIXPASA-N 448.563 5.515 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccncc2)ccc1Cl 170206192 JQKLRRLLQNQEOL-JOCHJYFZSA-N 448.906 5.225 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(OCC(C)C)c1 170219040 ZRLJXNAPHOFFIA-OAQYLSRUSA-N 427.928 5.363 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1ccccc1)c1cc2ccccc2o1 170229490 IBTQLWQMJZMYOI-QFIPXVFZSA-N 431.394 5.494 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@@H]1c1ccc(C(C)C)cc1 170245399 PHDOIDVCLCCADN-VWLOTQADSA-N 449.591 6.320 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccc(C(C)C)cc1 170245736 HZCWWXQEAQRZDB-XMMPIXPASA-N 430.548 6.060 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccco1 170286872 XBLHCNIAFVPARG-FQEVSTJZSA-N 437.879 5.341 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccco2)cc1 170292085 YJHAEONUCXJQGN-JOCHJYFZSA-N 435.476 5.220 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@H]1c1c(C)[nH]c2ccccc12 170312214 FLYXFLMXJMKSKN-OAQYLSRUSA-N 438.911 5.127 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1Cc1ccncc1 170317126 UMVICEGOBMMQDC-NRFANRHFSA-N 448.544 5.017 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1sccc1C 170319454 NDMSPKFZFRDXFZ-YWZLYKJASA-N 425.550 5.148 30 10 IKEE CCN(CC)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cccc(C)c2)cc1 170342782 KAAGWMRADYZBBL-HSZRJFAPSA-N 446.572 5.686 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)[C@@H]1c1ccccc1F)c1ccccc1 170382339 QVJXNEMLFBBCDX-HXUWFJFHSA-N 441.380 5.627 30 10 IKEE CCOc1cc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(C)cc2C)ccc1OC 170441321 PJYUHYABFHVUQO-QFIPXVFZSA-N 437.536 5.226 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1cccc(Oc2ccccc2)c1 170455809 RRGNWTLSLBJMTO-VWLOTQADSA-N 445.490 6.133 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2cccc3ccccc23)[C@H]1c1ccc(C(C)(C)C)cc1 170469643 GXVMUSQSVKEJFR-DEOSSOPVSA-N 441.571 6.653 30 10 IKEE Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@H]5CCC[C@@]5(C)CC[C@H]43)C2)cc1 245238997 DJKUHJBPRWSFHW-JHDZHRHCSA-N 430.654 6.502 30 10 IKEE COc1ccc(OC)c(/C=C2\SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)c1 252642740 ZPCSONYMHSEOKG-GCNWNYGFSA-N 444.556 6.129 30 10 IKEE O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=Nc2ccccc2)N1CCc1ccccc1 254294012 RJKXINZOVBYZOZ-OUUDUQSLSA-N 429.501 5.442 30 10 IKEE Cc1ccc(-c2cn(N=Cc3ccccc3)c(NC(=O)Nc3ccc(F)cc3F)n2)s1 254309044 DPNPXODNEOCKBP-UHFFFAOYSA-N 437.475 5.724 30 10 IKEE COc1ccc(C=NOC(=O)c2ccc(C(F)(F)F)cc2)cc1OCc1ccccc1 254656505 ZDNXWVIYGSZQCC-UHFFFAOYSA-N 429.394 5.484 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(Cl)cc2)c1 526516570 PJNVVYWCKCVHQR-QHCPKHFHSA-N 430.891 5.668 30 10 IKEE Cc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccc(Cl)c2Cl)cc1 526522117 PFSRPZMKMAROCR-JOCHJYFZSA-N 435.310 6.231 30 10 IKEE CCCCCCOc1ccccc1C(=O)/C=N\n1c(C)nnc1SCc1ccccc1 526799848 QBOHNSNFGZTYRE-UQQQWYQISA-N 436.581 5.555 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1ccc(Cl)c([N+](=O)[O-])c1 526826330 ZWDQVYUDJRYSQY-FMCGGJTJSA-N 447.923 5.496 30 10 IKEE COc1ccc(Br)cc1[C@H](C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 698405748 IRLQMSIUQZGAMD-SFHVURJKSA-N 431.330 5.460 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@](C)(C#N)CCCC(F)(F)F 698460426 ZDPCWERNCTYYGL-QGZVFWFLSA-N 435.284 6.205 30 10 IKEE CC(C)[C@@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Br)c2)CC1 698496744 IUGAQIHAESRHJI-VGSWGCGISA-N 435.406 6.689 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@H](C#N)c1ccc(OCc2ccccc2)cc1 698918888 TYEGYADYMSKNFL-XMMPIXPASA-N 448.950 6.925 30 10 IKEE CCCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(Br)c(Br)s1 698922667 XXYXXKOUZZTDPA-JTQLQIEISA-N 438.185 5.485 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 724069276 ITYWBRLWTNGFBN-HJPURHCSSA-N 433.524 5.154 30 10 IKEE CCCCCCCCCCOc1ccc(N=Nc2ccc(CCCC)cc2)c(Cl)c1 1081820742 XBVRACMBTSXNQO-UHFFFAOYSA-N 429.048 9.618 30 10 IKEE COc1ccc(Cl)cc1N/C(=N/Cc1cccc2ccccc12)N[C@H]1CCCC[C@@H]1N 1088685051 FBSYVHIJVKAZAD-VXKWHMMOSA-N 436.987 5.329 30 10 IKEE O=C1/C(=C\c2c(F)cccc2Cl)SC(=Nc2cccnc2Cl)N1c1ccccc1 1772734830 RCFGZKYBYBXAJH-SREDRKHISA-N 444.318 6.336 30 10 IKEE COc1ccc(/C=C2/SC(=Nc3nc(C)cs3)N(c3ccccc3)C2=O)c(OC)c1 1772738663 OVPBVGNKQJKPJK-CIOOEQDQSA-N 437.546 5.277 30 10 IKEE CCN1C(=O)/C(=C\c2c(Cl)cccc2Cl)SC1=Nc1ccc(O)cc1C(=O)O 1772762466 KWERLCNBZABFJP-WBXVYAGQSA-N 437.304 5.021 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=Nc1ccc(C)cc1O 1772762778 WYDHOFRWWJPAHJ-OUCYFQBSSA-N 429.339 5.253 30 10 IKEE C=CCOC(=O)Nc1ncccc1O[C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 1858700982 XQOQRBRZLXJMOH-QGZVFWFLSA-N 433.464 5.014 30 10 IKEE CC(C)(C)c1ccc(Cn2nc(C(=O)Nc3ccccc3C#N)cc2-c2ccccc2)cc1 1859380268 PBOKJSGEYZAYOO-UHFFFAOYSA-N 434.543 6.020 30 10 IKEE COc1cccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)nn2Cc2ccccc2Cl)c1 1859405043 DAMXNKHWJGRQNW-UHFFFAOYSA-N 442.906 5.384 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCC)NC(=O)CCCOc1ccc(Cl)cc1 1861712835 VYDZKSRDUODTPZ-OAQYLSRUSA-N 425.013 5.261 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2ccccc2Cl)cc1 1862391540 CICVSAPIUZAKHE-AOMKIAJQSA-N 425.956 6.059 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccccc2C)cc1C 1862400830 NXNJTIZXXJNRBC-UQJUWTFNSA-N 433.548 5.469 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc(C)cc2)cc1C 1862401361 ZIXGXVGBYVRJIH-XVWGUNQUSA-N 433.548 5.469 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1cccc(Cl)c1)c1ccc(F)cc1F 1862416084 CINUONOAMRWKDM-IBGZPJMESA-N 445.874 5.458 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2cc(C)ccc2C)cc1 1862429769 USWXKGIQLZJECA-XMMPIXPASA-N 445.946 6.044 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)cc1 1862445509 XJOVCRYPRCTZOQ-JFJYTDJESA-N 437.967 6.059 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1 1862483423 DCXFLYHXIVUPFG-VWLOTQADSA-N 441.527 5.561 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1c(F)cccc1Cl 1862493983 CCXWTDIJTHBVTM-OAQYLSRUSA-N 445.918 5.101 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccc(Br)cc2)c1 1862496544 MKRMDBXOJBSTHG-IBGZPJMESA-N 428.326 5.053 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2ccccc2C)ccc1F 1862507593 PCSUQCZFERHLCI-QHCPKHFHSA-N 449.909 5.874 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1cccc(F)c1 1862525275 YPFNLGSYAPGSFD-LJQANCHMSA-N 446.316 5.213 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CCOC(C)C)cc1 1862580812 SHYJSHLXMQTSQH-FQEVSTJZSA-N 448.346 5.305 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1cccc(O)c1 1862613381 HGKHKFOLSBUXKX-OUPRXKBMSA-N 447.575 5.847 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccc(Br)cc2)cc1 1862670575 XEDOCJZZAALSPS-HXUWFJFHSA-N 442.353 5.559 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3cccc4c3CCCC4)C2=O)cc1C 1862885358 STYDVJWARBVIRH-UHFFFAOYSA-N 447.538 5.451 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(C(C)(C)C)cc3)C2=O)c1 1863024036 SKRLKPNYAATYHM-UHFFFAOYSA-N 449.554 5.869 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(Cc3cccc(Cl)c3)C2=O)cc1C 1863253460 JUKYQLFPWVKDOW-UHFFFAOYSA-N 441.918 5.221 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(C)ccc2C)=C(c2ccc(F)c(C)c2)C1=O 1863455880 NQUIIRGYCZCAOJ-UHFFFAOYSA-N 436.571 6.303 30 10 IKEE Cc1cc(C2=C(Nc3cccc(C#N)c3)C(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1F 1863462645 LBQQLQSFEVZWRG-UHFFFAOYSA-N 445.881 5.051 30 10 IKEE CCCCCCCCNC1=C(c2ccc(OCC)cc2)C(=O)N([C@@H](C)c2ccccc2)C1=O 1863570490 ISFBPQGAJOPWAK-NRFANRHFSA-N 448.607 5.877 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2cccnc2)=C(c2ccc(OC(C)C)cc2)C1=O 1863696818 STRZLXBTLXPZQF-UHFFFAOYSA-N 449.595 5.099 30 10 IKEE C=CCN(CC=C)c1cc(N(C)c2ccc(OC)c(OC)c2)nc(-c2ccc(C)cc2)n1 1869170927 DWFILULWMXITKA-UHFFFAOYSA-N 430.552 5.416 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N(CCC)CCC)nn1-c1ccc(Cl)cc1 1870039355 NWVHFAHTLBUTDM-UHFFFAOYSA-N 434.028 6.236 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)Nc2cc(C)cc(C)c2)c(=O)cc1C 1870085403 PZMOPJDCJITBDC-UHFFFAOYSA-N 426.601 5.932 30 10 IKEE C=CCn1cc(OCC(=O)Nc2ccc(CCCC)cc2)c(=O)cc1CSC(C)C 1870200871 QPPXRYWGLKIDJO-UHFFFAOYSA-N 428.598 5.036 30 10 IKEE CCCCCCCOc1cn(CCCCN2CCCC2)c(CN2CCC[C@H](C)C2)cc1=O 1870414061 FVTWWGBKNSMSGT-DEOSSOPVSA-N 445.692 5.305 30 10 IKEE CCCCCCCCCCn1cc(OCCCCCC)c(=O)cc1CN1CCC[C@@H](C)C1 1870673720 XQISJCRRQNWUMJ-RUZDIDTESA-N 446.720 7.180 30 10 IKEE C=CCOc1cn(C[C@@H](c2ccccc2)N2CCCC2)c(CNc2cccc(C)c2)cc1=O 1870812212 QOHZIOFZZFOMFD-SANMLTNESA-N 443.591 5.171 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2)c(CNc2ccc(OCC)cc2)cc1=O 1870833171 BAZCOFXYILQJAZ-UHFFFAOYSA-N 448.607 6.257 30 10 IKEE CCCCCCCOc1cn(Cc2ccccn2)c(CNc2ccc3cc[nH]c3c2)cc1=O 1870838293 XIEHQQUGPFKNRV-UHFFFAOYSA-N 444.579 5.734 30 10 IKEE CCCCCCCOc1cn(CCCCCC)c(CNc2ccc(C(C)C)cc2)cc1=O 1870839659 WBJZXVZLMPJOFO-UHFFFAOYSA-N 440.672 7.513 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2)c(=O)cc1CNc1ccc(C)c(C)c1 1870898534 WVLOVHFPKMGTQA-UHFFFAOYSA-N 446.635 7.017 30 10 IKEE COc1ccc(Oc2ccc(-c3nc(CC(=O)Nc4ccccc4C#N)cs3)cc2)cc1 1871283658 JYUZJFRTBQEEGS-UHFFFAOYSA-N 441.512 5.664 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(Cl)cc1Cl)C3=O)CN(CCCN(C)C)CO2 1871351647 LNCYTTPYMWAZJI-JMIUGGIZSA-N 447.362 5.022 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccccc1)O3)CN(CCCCc1ccccc1)CO2 1871354387 PDMAROFLIQVRAU-UQQQWYQISA-N 425.528 5.786 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)CCc4ccc(Cl)cc4)cc(C)c3C2=O)cc1 1871368857 RRYPFQWGAOEDFR-UCQKPKSFSA-N 448.902 5.811 30 10 IKEE CC(C)c1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871380363 KPWMJQCWCRYNNF-QXXZEVIWSA-N 444.914 6.698 30 10 IKEE CCOc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1 1871408629 YARAGBMWCOFBFR-AOBKZXEFSA-N 443.499 5.416 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O 1871440645 ZQOHMIFFXOAVMD-UUYOSTAYSA-N 447.918 5.899 30 10 IKEE CCc1ccccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1cccc(C)c1)C2=O 1871459126 REQAZDMRLHXLNM-OYKKKHCWSA-N 427.500 5.500 30 10 IKEE C=CCN(CC=C)c1nc(=NCCCCc2ccccc2)nc(Nc2ccc(C)c(C)c2)[nH]1 1871525339 VQSQGUMHQQLVQO-UHFFFAOYSA-N 442.611 5.267 30 10 IKEE C=CCN([C@H](C(=O)Nc1cc(Cl)ccc1C)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872454209 SCSGWBGULMYCLN-QFIPXVFZSA-N 449.016 5.105 30 10 IKEE Cc1csc([C@@H](C#N)C(=O)CCCOc2ccc(C(C)(C)C)cc2Br)n1 1872789522 LZCGAFDXQTUWID-HNNXBMFYSA-N 435.387 5.547 30 10 IKEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)Nc3ccccc3OCC)cc2[nH]1 1872806933 NBQTUBFHEOTPPU-UHFFFAOYSA-N 443.503 5.358 30 10 IKEE CCCCCCCCNC1=C(c2cc(F)cc(F)c2)C(=O)N([C@@H](C)c2ccccc2)C1=O 1873113677 XSGICZRDTNCJLR-SFHVURJKSA-N 440.534 5.756 30 10 IKEE C=CCNC(=O)c1c(NC(=O)c2c(Cl)ccc(Cl)c2Cl)sc2c1CCCC2 1873440902 KHHPNQMFFFCLBA-UHFFFAOYSA-N 443.783 5.755 30 10 IKEE C=CCOc1ccccc1OCc1nc2ccccc2n1CC(=O)Nc1ccccc1CC 1873520036 YPBILCXBYMCHLO-UHFFFAOYSA-N 441.531 5.381 30 10 IKEE CCCCCCCCCCNc1ncnc2c1ccc(=O)n2-c1cc(OC)cc(OC)c1 1873541843 VMMFXUCANLDQJH-UHFFFAOYSA-N 438.572 5.351 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccccc3C(F)(F)F)c(=O)oc2c1 1873943198 JAGZAOHKQBSSIT-UHFFFAOYSA-N 431.410 5.256 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3cc(Cl)ccc3Cl)c(=O)oc2c1 1873946903 OOPIPXHZHIVBQL-UHFFFAOYSA-N 432.303 5.544 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2ccc(F)cc2)cc1C 1874357763 XWXHSQXQGLIICU-LQKURTRISA-N 444.579 6.108 30 10 IKEE COc1cccc(/C=N/n2c(SCc3cccc(C)c3)nnc2-c2ccccc2)c1OC 1874427195 VTORISGQZKQBMA-WGOQTCKBSA-N 444.560 5.445 30 10 IKEE Fc1ccccc1CSc1nnc(C2CCCC2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874455650 CTFQRQQESDYDFL-UVHMKAGCSA-N 448.489 6.268 30 10 IKEE O=C(/C=C/c1c(OCc2c(Cl)cccc2Cl)ccc2ccccc12)c1ccccc1 1874578405 MIBZXGHBZPHANM-CCEZHUSRSA-N 433.334 7.622 30 10 IKEE C=C(C)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(OCCCCCCC)cc1 1874584265 GAYVRCYRPXZMGU-RVDMUPIBSA-N 426.984 7.540 30 10 IKEE CCOc1c(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc(Br)cc1OC 1874591467 MALYUBNLQDIOCM-QPJJXVBHSA-N 430.125 6.059 30 10 IKEE O=C(/C=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1Cl 1874591711 YEYQTXDNXHMKRF-KPKJPENVSA-N 428.271 6.377 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OCC(=O)Nc1ccc(C)c(C)c1 1874595117 VHTULQYHQCCQQB-FMIVXFBMSA-N 449.934 5.879 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OCC(=O)NC3CCCCC3)c(Cl)c2)c1 1874605447 OYDGWUDHSKOZPL-ZRDIBKRKSA-N 427.928 5.072 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OCc3c(F)cccc3Cl)c([N+](=O)[O-])c2)ccc1F 1874618925 ZXAVDGIOVYLYCI-WEVVVXLNSA-N 443.833 6.310 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])cc1 1874625153 OHKVWEFPNVWEMW-WLRTZDKTSA-N 448.450 5.210 30 10 IKEE Cc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(-c4ccccc4)cc3)c2)cc1C 1874693324 ZKSLVSKEMIGOJU-QGOAFFKASA-N 446.546 7.015 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2ccc(F)cc2)cc1OC(=O)c1ccco1 1874710320 WRWVMRGTKPPIDB-RMKNXTFCSA-N 445.240 5.305 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1OC(=O)Cc1cccs1 1874710461 CIVDWMORZQTVHU-VQHVLOKHSA-N 436.529 5.426 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC(=O)C1CCC1 1875080511 LVZORNIOMZWPED-LFIBNONCSA-N 442.511 5.972 30 10 IKEE Cc1ccc(C)c(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1C 1875117535 PCEBPPZKQRKWNP-OVCLIPMQSA-N 445.471 5.401 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 1875142673 ONGLTBSPIOBWCZ-MKMNVTDBSA-N 446.518 6.556 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)c1 1875145990 YCTCTPBHBPEHDQ-WUXMJOGZSA-N 447.443 5.036 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2Cl)cc1 1875175474 QWAJSGJGRRKXEI-MDWZMJQESA-N 448.946 6.400 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])c(Cl)c2)cc1C 1875175635 ZGJSFJGJZSIYJW-DHZHZOJOSA-N 435.863 5.980 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Br)c1OC(=O)CC 1875183913 ZDJQPDVJWRDYJX-CMDGGOBGSA-N 445.353 5.985 30 10 IKEE C=CCn1c(C(=O)N(CCCC)CCCCCC)cc2c(NCCCOCC)ncnc21 1875228318 JULMADRARGZJJJ-UHFFFAOYSA-N 443.636 5.278 30 10 IKEE O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ccc(Br)cc1OC(F)(F)F 1889932984 QBOSYJPMAJVQPA-UHFFFAOYSA-N 446.116 5.758 30 10 IKEE N#Cc1cccnc1OC1CCN(C(=O)Cc2cc(Cl)ccc2Oc2ccccc2)CC1 1891556804 LVNVZWIIVRAYKN-UHFFFAOYSA-N 447.922 5.011 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCCC)c2ccc(Cl)cc2Br)C1 1898166750 VNPFNXPFOCZCDU-KRWDZBQOSA-N 443.813 5.757 30 10 IKEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1999937478 BJLYCARCFBVZFC-HJPURHCSSA-N 449.979 5.621 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@H]1CCC2(CCC2)N(C(=O)OC(C)(C)C)C1 2014026020 MCYDLPNUJILPCY-GOTSBHOMSA-N 428.617 5.307 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C)([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)C1 2022136276 GCPGAWRJBAVYLC-FDDCHVKYSA-N 433.524 5.106 30 10 IKEE CCCCCC#CC[C@@H](CCCN(Cc1ccccc1)C(=O)OC(C)(C)C)NCCC 2024366816 BMBCWPZTBMHHIZ-VWLOTQADSA-N 428.661 6.546 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](N)c2ccc(Cl)c(Br)c2F)C1 2063050845 FZMRJACNILTLIM-OAHLLOKOSA-N 433.749 5.103 30 10 IKEE Cc1ccc([C@H](n2nc(C(C)C)c(C#N)c2I)C(C)(C)C)c(O)c1 2079140482 NJBDSVJHJVBMEX-KRWDZBQOSA-N 437.325 5.132 30 10 IKEE COc1ccc([C@H](n2nc(C3CC3)c(C#N)c2I)C(C)(C)C)cc1C 2079952589 KIHJVRNHYMVFRL-SFHVURJKSA-N 449.336 5.189 30 10 IKEE CC(C)c1ccc([C@H](C2CCC2)n2nc(C(F)(F)F)c(C=NO)c2Br)cc1 2079984340 JFEFDKYVXCHCAT-INIZCTEOSA-N 444.295 5.985 30 10 IKEE CC(C)[C@@H](c1ccc(C2CCC2)cc1)n1nc(C(F)(F)F)c(C=NO)c1Br 2080004394 ZSCIVCFDANYMKP-INIZCTEOSA-N 444.295 5.985 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Cl)cc(Br)c1 2081555144 NCWGVVSBKCTJFX-IRXDYDNUSA-N 431.802 5.613 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@@H]2Nc2cc(Br)ccc2C#N)C1 2156236667 MYSWDEUEQJJDEY-GHTZIAJQSA-N 434.378 5.302 30 10 IKEE CCCC1(CNc2cccc(Br)c2C#N)CCN(C(=O)OC(C)(C)C)CC1 2162416352 WVJXYHZUOBJIRD-UHFFFAOYSA-N 436.394 5.550 30 10 IKEE CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)c(Br)c2F)c2ccccc21 2174768895 GUINKRJMELVKFD-UHFFFAOYSA-N 432.293 5.353 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc2c(c1)CCN(c1cc(Br)ccc1C#N)C2 2174809526 AVLBMPUNURAOSY-UHFFFAOYSA-N 428.330 5.230 30 10 IKEE CN(c1cc(Br)c(C#N)cc1F)C1(CNC(=O)OC(C)(C)C)CCCCC1 2174812639 NDTAHNNEDDYFDJ-UHFFFAOYSA-N 440.357 5.124 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](CNc2cc(Br)c(C#N)cc2F)C12CCC2 2177326235 MKUPHHNKGJHERQ-AWEZNQCLSA-N 438.341 5.051 30 10 IKEE C=CCCC[C@H](NCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229127112 KGPDOWSXXRZMHZ-OALUTQOASA-N 425.411 5.219 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCC[C@H](C(C)(C)C)C1 2238177519 GNGOYKOLHMJOBB-AOMKIAJQSA-N 435.406 6.689 30 10 IKEE CC(C)[C@@H](C)N(Cc1ccccc1)C(=O)c1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1 2255816972 NSGIGSXSNYPXEQ-GOSISDBHSA-N 441.808 5.326 30 10 IKEE CCCN[C@@H](C#CC1CCCCC1)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2260987967 GIBZEKXHOXNIIG-LOSJGSFVSA-N 442.644 5.439 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCC(=O)O)c1c(Cl)cccc1Br 2262209072 VJPXPXFTWMAQSA-IBGZPJMESA-N 425.706 5.018 30 10 IKEE C[C@H](NC(=O)[C@H]1C[C@H](B2OC(C)(C)C(C)(C)O2)C1)c1ccc(NC(=O)OC(C)(C)C)cc1 2267565250 NFHUPKFJYFOJAF-SZMVWBNQSA-N 444.381 5.083 30 10 IKEE CN(C)c1ccc(C=C(C(=O)c2ccc(Br)cc2)c2nc3ccccc3o2)cc1 2297498169 XXEZBWYDAKBZSN-UHFFFAOYSA-N 447.332 6.080 30 10 IKEE COCc1ccc(CN(C(=O)OC(C)(C)C)[C@]2(C#N)CC[C@H]2OCc2ccccc2)s1 2303027668 LRQCNLCABATYEO-QPPBQGQZSA-N 442.581 5.273 30 10 IKEE C=CCN1C(=O)C(=Cc2cc(Cl)c(OCc3ccccc3)c(OC)c2)SC1=S 2313538678 ZGUKBPJMUDVKIC-UHFFFAOYSA-N 431.966 5.315 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1c(F)cccc1Cl)O3)CN(CCCOC(C)C)CO2 2322024057 QZYWYIMXTOZALT-UHFFFAOYSA-N 445.918 5.371 30 10 IKEE CC[C@@H](C)N1COc2ccc3c(c2C1)OC(=Cc1cn(CC)c2ccc(OC)cc12)C3=O 2322092254 LNRUTZYDXDGIEN-MRXNPFEDSA-N 432.520 5.236 30 10 IKEE O=C(C=Cc1c(OCc2cccc(F)c2)ccc2ccccc12)c1ccc2c(c1)OCO2 2322698425 PCNCZIPDHRRWJJ-UHFFFAOYSA-N 426.443 6.183 30 10 IKEE CCOC(=O)c1ccc(COc2ccccc2C=CC(=O)c2cc(C)c(OC)cc2C)o1 2322981327 ROXZARYHBHSURY-UHFFFAOYSA-N 434.488 5.557 30 10 IKEE COc1cc(C=NNc2nc3ccccc3[nH]2)ccc1OCc1c(Cl)cccc1Cl 2323303854 STBJOZRORGRYAK-UHFFFAOYSA-N 441.318 5.903 30 10 IKEE O=C1C(=Cc2c(F)cccc2Cl)Oc2cc(OC(=O)c3c(F)cccc3Cl)ccc21 2323353219 CBGYAADUWLPOQR-UHFFFAOYSA-N 447.220 6.107 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(O)c3CN(Cc3ccccc3)C(C)C)C2=O)c1 2324012027 YUPKVLIAWMPCLL-UHFFFAOYSA-N 429.516 5.428 30 10 IKEE CCCC[C@@H](Oc1ccc2c(c1)OC(=Cc1cn(CC)c3ccc(OC)cc13)C2=O)C(=O)O 2324781228 VSYVQUYQCBVCKW-JOCHJYFZSA-N 449.503 5.308 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3c(C)cccc3C)c2)cc1C 2325715272 ZRMYKJUEVWUPCK-UHFFFAOYSA-N 430.500 5.501 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1)c1ccc(F)cc1F 2325726251 LRKILNODXZZGJI-UHFFFAOYSA-N 443.789 5.642 30 10 IKEE CCc1ccc(C(=O)Oc2cc(C=CC(=O)c3cccc4ccccc34)ccc2OC)cc1 2325749460 FZAGTQBFXVRQOL-UHFFFAOYSA-N 436.507 6.526 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(C(C)(C)C)cc3)c2)c(C)c1C 2325755725 SLOGTDWAZUNXLS-UHFFFAOYSA-N 442.555 6.725 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1ccccc1 2325951562 FZCAGEJWFUVKPU-UHFFFAOYSA-N 427.371 5.182 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccc(O)c(Cl)c2)cc1 2326306831 XHTJUHUOOAEAAH-UHFFFAOYSA-N 448.979 5.711 30 10 IKEE CCCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(C(C)C)cc1 2327771895 OZELEFFWDXFFSK-UHFFFAOYSA-N 428.605 6.530 30 10 IKEE Cc1ccccc1C=Nn1c(CCc2ccccc2Cl)nnc1SCc1ccccc1 2327956718 RRPGQAUYPNMJIA-UHFFFAOYSA-N 447.007 6.200 30 10 IKEE CCSc1nnc(CCc2cccc(OC)c2)n1N=Cc1c(Cl)cccc1Cl 2328625561 OZCCIYKYDNUGFD-UHFFFAOYSA-N 435.380 5.373 30 10 IKEE CCSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1c(Cl)cccc1Cl 2328792483 IFAUMDJDZXYNGJ-UHFFFAOYSA-N 435.380 5.775 30 10 IKEE Cc1cccc(CSc2nnc(COCc3ccccc3)n2N=Cc2cccc(F)c2)c1 2329317030 VRPWLFJYDGGEIV-UHFFFAOYSA-N 446.551 5.617 30 10 IKEE Cc1ccc(CSc2nnc([C@H](C)c3ccccc3)n2N=Cc2cccc(O)c2)cc1 2330050803 GSBPURGHWNFABK-LJQANCHMSA-N 428.561 5.618 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2)n1N=Cc1ccccc1[N+](=O)[O-] 2330103871 OWCYUETUPXGFSR-SFHVURJKSA-N 443.532 5.513 30 10 IKEE C=C(C)CSc1nnc(CC2CCCCC2)n1N=Cc1ccc(OCCCC)cc1 2330269996 HKSYHFCSEULSGW-UHFFFAOYSA-N 426.630 6.130 30 10 IKEE Cc1cccc(CSc2nnc(Cc3cccs3)n2N=Cc2ccc(N(C)C)cc2)c1 2330353434 INFZBEKJRGRWLZ-UHFFFAOYSA-N 447.633 5.479 30 10 IKEE CCSc1nnc(Cc2cccs2)n1N=Cc1ccc(OCc2ccc(C)cc2)cc1 2330367103 VAJGMVAAAHLIJF-UHFFFAOYSA-N 448.617 5.812 30 10 IKEE COc1cccc(C=Nn2c(Cc3ccccc3)nnc2SCCc2ccccc2)c1 2330493163 XXSRXKRQXBUANT-UHFFFAOYSA-N 428.561 5.095 30 10 IKEE Fc1cccc(CSc2nnc(-c3cccs3)n2N=Cc2c(F)cccc2Cl)c1 2330557372 KTWILXHZFCMFTD-UHFFFAOYSA-N 446.935 6.113 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(Cl)cc2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 2330625312 ZCXIGQCGAQRBDO-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(CC)cc3)cc2Cl)c1 2330747692 LNHOGFSPNDPZCT-UHFFFAOYSA-N 434.919 6.416 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3)c(OC)c2)cc1C 2330881021 XMWRJJZFYKGSGH-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2cccc(F)c2)nnc1[C@H]1CCCO1 2330935429 MPSWSECMHFSSRU-OAQYLSRUSA-N 438.528 5.008 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)CCc2ccccc2C)c(Cl)c1 2331063659 FYMZSGPOXCAOGT-UHFFFAOYSA-N 434.919 6.091 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)Cc1ccc(C)cc1 2331076219 VOUHYAZAOZZULD-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE CC(C)COC(=O)CSc1nnc(C2CCCC2)n1N=Cc1ccc(C(C)C)cc1 2331092594 ZRVJOBCNYCKKAZ-UHFFFAOYSA-N 428.602 5.233 30 10 IKEE Cc1cccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CCCC2)c1 2331092961 IYIXIIHBMYGTMJ-UHFFFAOYSA-N 445.419 6.725 30 10 IKEE Oc1ccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C(F)(F)F)cc1 2331146302 VLXAXWYAXAYOKR-UHFFFAOYSA-N 447.269 5.484 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1Cl 2331242580 PMOZPMSTKRDKJV-UHFFFAOYSA-N 439.766 7.419 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)c(C)c3)c(Cl)c2)c1 2331319556 IYARWVHXPAMKKN-UHFFFAOYSA-N 436.910 6.449 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SCc3ccccc3)nnc2C(C)(C)C)cc1 2331397201 URIZVAXAIIMMCF-UHFFFAOYSA-N 436.625 6.319 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 2331440413 PPIKHNNJMKLZSB-UHFFFAOYSA-N 437.448 5.095 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)CC1CCCCC1 2331539472 OEKCRZFCAZGCRU-UHFFFAOYSA-N 436.523 6.335 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(F)c3)cc2Cl)cc1 2331557068 UJZHVWFCBFWCKO-UHFFFAOYSA-N 442.845 6.132 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)c3cc(C)cc(C)c3)cc2)c1 2331673922 FYVQJJSDVIPJFG-UHFFFAOYSA-N 444.527 6.216 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1Br 2331706702 NBDZVKFDSKVYBZ-UHFFFAOYSA-N 443.381 6.838 30 10 IKEE CCC(=O)Oc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1Br 2331860594 FRBCUOWFUDKWTJ-UHFFFAOYSA-N 428.109 5.967 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2OC)ccc1OC(=O)c1ccccc1F 2331885056 IZRUUELTQIUSRP-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE Cc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2nc(SCc3ccccc3Cl)nn21 9856511 FRYCUHWHCCWHRC-OAQYLSRUSA-N 436.968 5.554 30 10 IKEE O=C1N/C(=N\c2cccc(C(F)(F)F)c2)S/C1=C\c1ccc(O)c(Br)c1 15016253 OZIYDCKYRPBCEY-AUWJEWJLSA-N 443.244 5.065 30 10 IKEE COc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cccc2ccccc12 21231337 HJBFADODUBIGEH-PRAQEBQASA-N 446.550 6.828 30 10 IKEE CC(C)COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccnc2)cc1 21259647 DLUQIULSYSVAFW-LYZGTLIUSA-N 439.559 6.096 30 10 IKEE Cc1ccc(Cl)cc1N/C(=N\C(=O)c1ccccc1C)NCCc1c[nH]c2ccccc12 32943248 DJJFDPWKVNNESB-UHFFFAOYSA-N 444.966 5.879 30 10 IKEE C=CCn1cc(/C=C2\C(=O)N(c3cccc(Cl)c3C)C(=S)N=C2O)c2ccccc21 33334430 BOBBLDBVTUEVLO-ATVHPVEESA-N 435.936 5.461 30 10 IKEE CCc1ccc(NC(=O)[C@@]23CC[C@@](C)(/C(=N\OC(=O)c4ccc(OC)cc4)C2)C3(C)C)cc1 38288256 KDFOXZBAPSUNNG-GLLGEUJBSA-N 448.563 5.626 30 10 IKEE Cc1c(/N=N/c2ccc([N+](=O)[O-])cc2Cl)c(O)n([C@@H](C)c2ccccc2)c(=O)c1C#N 39871465 BSGIPVOUCPAYNY-UJJCNQHWSA-N 437.843 5.320 30 10 IKEE CCn1cc(/C=C2\Oc3c(ccc4c3CN(Cc3cccnc3)CO4)C2=O)c2ccccc21 41662156 LKLQUXDKIHNETF-ROTLSHHCSA-N 437.499 5.025 30 10 IKEE COc1ccc(C(=O)Nc2ccc(OCC(F)(F)C(F)F)c(C(F)(F)F)c2)cc1 59406575 VZKDWYKCMLFUCU-UHFFFAOYSA-N 425.300 5.246 30 10 IKEE C=CCOc1cccc([C@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccc(OC)cc2)c1 64797154 AHNNDHWOKTVVRK-GOSISDBHSA-N 435.501 5.161 30 10 IKEE C=CC[C@H](Sc1nnc(-c2ccc(Br)cc2)n1CC=C)c1ccccc1 72262888 VAPZVFXQYORGEF-IBGZPJMESA-N 426.383 6.303 30 10 IKEE C/C(=N\OCc1ccc(C#N)cc1)c1cc(-c2ccc(F)cc2)n(-c2cccc(C)c2)c1C 97632275 IKUJVWVZVVTAAZ-AJBULDERSA-N 437.518 6.713 30 10 IKEE CCCCCCCC(=O)N[C@H](C(=O)Nc1nnc(-c2ccc(OC)cc2)s1)[C@H](C)CC 102992756 VMKWGLNLSUTWAM-UZLBHIALSA-N 446.617 5.044 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(OC)cc2)cc1 169923381 AVBGQFBEJULACO-HSZRJFAPSA-N 431.463 5.180 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2cc(C)ccc2C)cc1 169924469 GXDQYKNPEKYJML-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CCCOc1ccc([C@H]2NC(=S)N(CCC)C(C)=C2C(=O)c2ccccc2)cc1Cl 169928934 IPUMJJQSCJMAJM-JOCHJYFZSA-N 443.012 5.927 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2cccc(C)c2)cc1 169969414 JCSXYRXGMWWLLT-XMMPIXPASA-N 443.499 5.185 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2CCC)cc1 169976227 VLMWDEJTBPSTNT-RUZDIDTESA-N 435.564 5.563 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2cccs2)cc1 169988478 SFFYYMXNOGYSHI-QFIPXVFZSA-N 444.512 5.017 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2ccccn2)c1 169994442 GEFYMMPSHDRFGX-QFIPXVFZSA-N 432.907 5.443 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C(C)C)cc1 170066106 FIMMGECVGDXAOU-QFIPXVFZSA-N 441.955 5.467 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccccc1F 170070675 WMIZEMVDQGJUBN-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@H]1c1ccccc1OC 170125634 UMUWHOKXDVUUBY-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccc(C)c2)ccc1Cl 170140803 LIRRZQLINYCYGI-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2c2ccccc2)c1 170141778 RFWOHVUQILRSHI-RUZDIDTESA-N 439.555 6.384 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)cc(Cl)c2OC)[C@@H]1c1cccc(C)c1 170146692 SOTGDAXQOSQDPK-IBGZPJMESA-N 448.346 5.689 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2cccs2)c1 170166854 KXCLFXKKMUBPLY-NRFANRHFSA-N 437.492 5.064 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccnc2)cc1C 170183282 GINQCNWIJYIPLQ-QFIPXVFZSA-N 448.544 5.019 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1ccccc1 170222533 UCEWEISFTQPPCC-NRFANRHFSA-N 439.895 5.090 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@H]1c1ccccc1 170232862 QYGOAOFVNSDKBG-XMMPIXPASA-N 435.564 5.977 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@@H]1c1ccc(Cl)c(Cl)c1 170246713 IZRYEHQCORCKFW-SFHVURJKSA-N 438.282 5.129 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccccc1F 170249652 GNPWYIZTQPYADO-VWLOTQADSA-N 441.502 5.796 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@H]1c1ccccc1F 170249813 KKBVGSRMPIGIDC-XMMPIXPASA-N 443.474 5.242 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccc(O)c2)cc1 170256889 CSYAHRJDJMPBFS-QFIPXVFZSA-N 449.528 5.019 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc(O)c2)cc1C 170261954 BGPWNBWEXZGJJR-XMMPIXPASA-N 449.547 5.400 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1Cc1ccncc1 170275095 PYZSZIHXOIENIR-VWLOTQADSA-N 434.495 5.322 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)=C(O)C(=O)N1C1CCCCC1 170275542 VTJVRHHNOMKWMJ-OSPHWJPCSA-N 431.532 5.229 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(Cl)cc2)cc1Cl 170375932 RAGFKEXSBNNMJV-IBGZPJMESA-N 428.271 5.678 30 10 IKEE Cc1nc(COc2ccc(/C=C3/CCc4nc(-c5ccccc5)sc4C3=O)cc2)no1 209311137 NYFXRRLBLKXNGH-AQTBWJFISA-N 429.501 5.293 30 10 IKEE CCCCCCCC[C@H](O)c1cc(I)ccc1Br 232924439 ZQNSXXQUBCXLFC-HNNXBMFYSA-N 425.148 5.838 30 10 IKEE CCN(CC)c1ccc(C=Nc2ccccc2N=Cc2ccc(N(CC)CC)cc2)cc1 252462500 STLPZBKWRGUEFT-UHFFFAOYSA-N 426.608 6.880 30 10 IKEE CCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2CC)SC1=Nc1cccc(C)c1 252607182 GZDFUFJCLKDMIW-CUCKYGFWSA-N 425.579 5.388 30 10 IKEE Cc1ccc(C=Nn2c(N)c(C(=O)Nc3cc(C)ccc3C)c3nc4ccccc4nc32)cc1 254442375 SZTFCTDUYIXVES-UHFFFAOYSA-N 448.530 5.226 30 10 IKEE COc1ccc(C(=O)N(C(=Nc2ccc(C)cc2)c2ccccc2)c2ccc(C)cc2)cc1 254873592 FVSINBQYRYPHFY-UHFFFAOYSA-N 434.539 6.737 30 10 IKEE CN=c1scc(-c2ccc(-c3ccccc3)cc2)n1N=Cc1ccc(Br)cc1 254902350 OAKJJKLYPDOIPE-UHFFFAOYSA-N 448.389 6.059 30 10 IKEE COc1ccc([C@H]2C(c3cccc4ccccc34)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526492029 RIBYAVKVKWCDGQ-SANMLTNESA-N 432.479 5.777 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1/N=C\c1ccc(O)c(Br)c1 526803463 UVDMHKCNWYSEJZ-JJFYIABZSA-N 449.349 5.012 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1cccc(OC)c1 526824284 UICROAATUHBZCI-FMCGGJTJSA-N 435.380 5.721 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1ccc(OCC)c(Cl)c1 526825633 HNMZORPXQMNKLZ-QFEZKATASA-N 446.979 5.986 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(CCCC#N)c2ccc(C(C)(C)C)cc2)cc1 586233454 NRWSFNBLKMWGSP-UHFFFAOYSA-N 440.653 6.606 30 10 IKEE C=CCN(CC=C)C(=O)Nc1ccc(OC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 586516516 QDMILMRZQLOFII-WUXMJOGZSA-N 431.319 5.818 30 10 IKEE Cc1nn(C)c(F)c1C=NNc1nc(-c2ccc(Cl)c(Cl)c2)cc(C(F)(F)F)n1 1081014374 JCLXLOIZLGBHIX-UHFFFAOYSA-N 447.223 5.096 30 10 IKEE O=[N+]([O-])c1ccc(C(CSc2nc3ccccc3o2)=NNc2cccc([N+](=O)[O-])c2)cc1 1084479929 KQPAYTBBXWAWEX-UHFFFAOYSA-N 449.448 5.253 30 10 IKEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1722586170 VVNUYNKCDJUUMZ-UHFFFAOYSA-N 446.555 5.124 30 10 IKEE Cc1ccc(-n2cc(/C=N\NC(=S)Nc3ccccc3)c(-c3ccccc3)n2)cc1Cl 1857810011 MAXKEFWETCPCLO-YSMPRRRNSA-N 445.979 5.822 30 10 IKEE CCCCCCCCCCNC(=O)c1c2c(nc3ccc(Cl)cc13)CCN(CC)C2 1859577537 GMTNKHKUHYPMBE-UHFFFAOYSA-N 430.036 6.137 30 10 IKEE C=CCN(C(=O)c1cc(OCC)c(OCC)c(OCC)c1)[C@@H](C)CCc1ccccc1 1860036796 KFVAIAWPQMBHBB-FQEVSTJZSA-N 425.569 5.532 30 10 IKEE CCCCCCCCCNC(=O)[C@H](C)Oc1ccc2c(CCCC)cc(=O)oc2c1C 1860259263 XRECSYHHSZDCFS-FQEVSTJZSA-N 429.601 6.078 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccccc2F)cc1 1862391060 RQCDOEHUYLPMLZ-DEOSSOPVSA-N 444.506 5.342 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(Cl)cc1 1862403321 SHWLWBNLLFOKNM-QFIPXVFZSA-N 441.955 5.816 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@H]2c2ccccc2C)cc1 1862411426 HTJFTIPNMCRJOP-HSZRJFAPSA-N 433.454 5.360 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)c1 1862411998 UBTXYRUVYHXJPB-UPKQVVFYSA-N 425.475 5.430 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2Cl)[C@@H]1c1ccccc1)c1ccc(F)cc1F 1862413059 UJMSXNJLUVMOHE-OAQYLSRUSA-N 439.845 5.397 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1cccc(F)c1 1862414297 WTIYWTQPYBORRY-JLCFBVMHSA-N 437.417 5.443 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(N(CC)CC)cc1 1862421754 OYAHHNDNUGMUSC-OYHNWAKOSA-N 442.506 5.188 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2[C@H](C)c2ccccc2)c1 1862429657 RNCNQECDOGWFDC-UZUQRXQVSA-N 431.919 5.988 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(C(C)C)cc1 1862432757 MGCDFFVRENYCMP-QFIPXVFZSA-N 425.956 6.232 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1CCCc1ccccc1 1862443771 SOADXIZMRVCYRP-XMMPIXPASA-N 445.946 5.860 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(C)cc1 1862464840 HHKRQBXYSHOARC-AUUYWEPGSA-N 428.326 5.134 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(N(CC)CC)cc1 1862499096 YDASQURJRZVYHU-RUZDIDTESA-N 448.607 5.918 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1cccc2ccccc12 1862560188 BMQAFYJDWRETSE-DEOSSOPVSA-N 428.532 5.581 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)c(Cl)c2)=C(O)C(=O)N1CCC(C)C 1862580551 MZBLWFBLINBELL-HXUWFJFHSA-N 432.347 5.926 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C(C)C)cc1 1862586065 LIDWRALCLDHEBU-HXUWFJFHSA-N 448.346 5.769 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1cccc2ccccc12)c1cccc(O)c1 1862592358 BGIYHJZOCNQQEX-HSZRJFAPSA-N 441.508 5.385 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2cccc(C)c2)cc1F 1862636844 PSIIGUJBMNKHHY-HSZRJFAPSA-N 437.511 5.444 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862704108 RHQNNVGUTQGTQO-DEOSSOPVSA-N 449.547 5.395 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862714710 FQORDFFQEZOBDN-AREMUKBSSA-N 449.506 5.627 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCCC)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863633188 PJISAZRJCKDLCP-UHFFFAOYSA-N 439.427 6.214 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCC)c(=O)cc1CSc1ccccc1 1870193747 KKAOKQLFRYTVHR-UHFFFAOYSA-N 431.598 5.443 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(C)cc2)c(CSCc2ccccc2)cc1=O 1870260081 YBKWYJHKOCKYML-UHFFFAOYSA-N 449.660 6.988 30 10 IKEE CCCCCCCCn1cc(OCCCC(=O)OCC)c(=O)cc1CN1CCC[C@H](C)C1 1870368427 POBWAFAUMTXZIZ-QFIPXVFZSA-N 448.648 5.163 30 10 IKEE C=CCn1cc(OCCCCCCC)c(=O)cc1CNc1cc(OC)c(OC)c(OC)c1 1870833825 VKQBBRHSFDOEER-UHFFFAOYSA-N 444.572 5.021 30 10 IKEE C#CCOc1cn(Cc2cccc(C)c2)c(CNc2ccc(-c3ccccc3C)cc2)cc1=O 1871004446 FULMMVCLOLIRLJ-UHFFFAOYSA-N 448.566 5.805 30 10 IKEE CCCCCCCCn1cc(OCCCC)c(=O)cc1CNc1ccc(N(C)C)cc1 1871111028 PQUKBLHVHXJQDZ-UHFFFAOYSA-N 427.633 6.066 30 10 IKEE CCCCC[C@@H](CC)N1COc2cc(C)c3c(c2C1)O/C(=C\c1ccccc1OC)C3=O 1871347806 XGTDERFDROKBIS-ZOLHPDHPSA-N 435.564 6.131 30 10 IKEE COc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2cccc(Cl)c2)C4)cc1 1871348237 ZLRCPNKEHPAAIS-FMCGGJTJSA-N 447.918 5.625 30 10 IKEE COc1ccc([C@H](C)N2COc3cc(C)c4c(c3C2)O/C(=C\c2ccccc2F)C4=O)cc1 1871353958 CBCZYBVHYLFNAH-GHRPQRKGSA-N 445.490 5.672 30 10 IKEE C[C@@H](c1ccc2c(c1)CCCC2)N1COc2ccc3c(c2C1)O/C(=C\c1ccccc1)C3=O 1871354092 HDAZTOYSVDFOHU-IKNFNJQFSA-N 437.539 6.095 30 10 IKEE O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 1871374950 LEXNJVKPWCRYNG-OLNXSBFISA-N 428.871 6.131 30 10 IKEE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871384093 XUTPJLVIAQUFQC-CFRMEGHHSA-N 432.447 5.696 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OC(=O)CCc4cccs4)ccc3C2=O)cc1 1871392012 KZQDSIBQIXKCPM-JLPGSUDCSA-N 447.556 5.749 30 10 IKEE Cc1cc(OCC(=O)N[C@@H](C)c2ccccc2)cc2c1C(=O)/C(=C/c1cccc(F)c1)O2 1871424728 UUOMXVUYMHJIBO-ICODJCHTSA-N 431.463 5.007 30 10 IKEE CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2C)C3=O)c1 1871426824 ZDRXRRPMOVIXTO-BDFPJNNISA-N 441.483 5.220 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(F)c(F)c4)cc(C)c3C2=O)c1 1871443442 QPGSNQLTDAEJCJ-YVNNLAQVSA-N 435.426 5.215 30 10 IKEE Cc1ccc2oc(=O)cc(COc3ccc4c(c3)O/C(=C\c3cccc(F)c3)C4=O)c2c1 1871460384 KHSDDOOCRATBJY-MYKKPKGFSA-N 428.415 5.436 30 10 IKEE CCCCCCCCN=c1nc(N(CCCC)CCCC)[nH]c(=Nc2cccc(O)c2)[nH]1 1871714750 DLNKZESVEMPIDQ-UHFFFAOYSA-N 442.652 5.344 30 10 IKEE Cc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(C)c1 1872762163 FDDFRUUGBZABFT-MRXNPFEDSA-N 431.344 5.989 30 10 IKEE COc1ccc(C)cc1-c1csc([C@@H](C#N)C(=O)c2cccc(Oc3ccccc3)c2)n1 1872771388 SWOXCZZHOXWIRD-QFIPXVFZSA-N 440.524 6.410 30 10 IKEE Cc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)c(C(C)(C)C)c1 1872773555 QKTPMOOHGSPGLW-KRWDZBQOSA-N 448.544 5.400 30 10 IKEE CCCCCCCOc1ccc(-c2csc([C@H](C#N)C(=O)c3cnc(C)cn3)n2)cc1 1872776842 ZGEGIYJLLDOBQT-HXUWFJFHSA-N 434.565 5.748 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@H](C#N)C(=O)c2ccc(C(C)(C)C)cc2)n1 1872786690 PVDHBEQAYRBPMK-GOSISDBHSA-N 438.980 6.568 30 10 IKEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)Nc3cc(C)cc(C)c3)cc2[nH]1 1872805828 KGLRTJPQBOJLIH-UHFFFAOYSA-N 427.504 5.576 30 10 IKEE CCOc1c(/C=N/n2c(CCc3ccc(C)c(C)c3)nnc2SCC)cccc1OC 1874330594 ZGUKTLIAELRBIT-PCLIKHOPSA-N 438.597 5.082 30 10 IKEE CCOc1cccc(/C=N/n2c(Cc3ccccc3F)nnc2SCc2ccccc2)c1 1874375795 NSFMVWGWSLUDHL-WPWMEQJKSA-N 446.551 5.581 30 10 IKEE Cc1ccccc1CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1ccc(Cl)cc1 1874392950 ZCUIVLNOXROXGH-BWJYWGHISA-N 447.007 6.566 30 10 IKEE CSc1nnc(CC2CCCCC2)n1/N=C/c1ccc(OCc2ccccc2C)cc1 1874405672 JVNNFNIANBFUOA-YZSQISJMSA-N 434.609 5.892 30 10 IKEE COc1cc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccc(C)cc2)ccc1O 1874415337 KLBGAAOHKYXXGB-WGOQTCKBSA-N 444.560 5.066 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)(C)C)n2/N=C/c2ccc(C(C)C)cc2)c1 1874438397 CWNCCSFCQLLUAS-JVWAILMASA-N 434.653 6.781 30 10 IKEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3)nnc2C2CCCC2)cc1 1874451947 WEKJFFYVXOYXBZ-PCLIKHOPSA-N 433.581 5.111 30 10 IKEE Fc1cccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C(F)(F)F)c1 1874463391 HEKDUYNYXGRCSD-KTZMUZOWSA-N 432.805 5.403 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCCc2ccccc2)nnc1-c1ccco1 1874467024 OGHDAVPEUXRQND-XIEYBQDHSA-N 430.533 5.320 30 10 IKEE COCCc1nnc(SCc2ccccc2F)n1/N=C/c1ccc(Cl)cc1Cl 1874472674 QYAJJHDPNOQAJO-FOKLQQMPSA-N 439.343 5.087 30 10 IKEE CCCCc1nnc(SCC)n1/N=C/c1ccc(OCc2ccccc2)c(OCC)c1 1874477116 JYZNBOBZVWVPMU-KOEQRZSOSA-N 438.597 5.593 30 10 IKEE CC(C)(C)c1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccccc1F 1874484922 VHPBUIBHIMGELA-BHGWPJFGSA-N 437.371 6.196 30 10 IKEE CCOc1cc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C(C)C)ccc1O 1874514797 HHGFHCUFLFNNMW-CVKSISIWSA-N 446.576 5.834 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2C2CC2)cc1OCC 1874516044 CVLZDAAQKKLHEE-MFKUBSTISA-N 436.581 5.436 30 10 IKEE C=CCSc1nnc(CC)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 1874526547 UIAFCUSYJNRZEE-ZVHZXABRSA-N 442.972 5.242 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CC)nnc1SCc1c(F)cccc1Cl 1874529030 OONHLILEHSEXIE-ZMOGYAJESA-N 430.936 5.372 30 10 IKEE COc1ccc(/C=N/n2c(C)nnc2SCc2ccc(Cl)c(Cl)c2)c(OC)c1 1874535745 UZRCOZXTQMUIQL-LSHDLFTRSA-N 437.352 5.085 30 10 IKEE CCCCC1CCC(c2nnc(S)n2/N=C/c2ccc(OCCC)c(OCC)c2)CC1 1874563829 ZYFYNEWTVIZYJY-KOEQRZSOSA-N 444.645 6.101 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccccc2Cl)c1OCC(=O)NC1CCCCC1 1874574941 MRCVWTRODMYMIH-CCEZHUSRSA-N 427.928 5.072 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(F)cc2F)c1OCc1cc(C)ccc1C 1874576400 LITSNCIMVSGMQB-RMKNXTFCSA-N 442.889 6.719 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C)c(C)c2)c1OCc1c(Cl)cccc1Cl 1874588171 VEYVZPUIFDAIGV-OUKQBFOZSA-N 441.354 7.094 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OCC)cc2OCC)cc(OC)c1OCC(=C)C 1874632128 MOIKUQPMGCGZOE-SDNWHVSQSA-N 436.548 6.072 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc(Br)c1OC 1874638812 TYZMZZLVFDYJGT-CSKARUKUSA-N 427.294 5.524 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)cc1OC(=O)CC(C)C 1874712354 UQRSDBMSBAQLBG-FNORWQNLSA-N 437.319 5.858 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cccc(OC(=O)Cc2ccc(F)cc2F)c1 1874713338 RIEPIRWMMNPSIA-JXMROGBWSA-N 436.454 5.634 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1Cl 1875078067 CCSSZCUJJCKQGT-LDADJPATSA-N 446.974 7.779 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3C)c(Br)c2)cc1 1875101195 RMBYJMSXIOHDKT-GXDHUFHOSA-N 449.344 6.435 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(C)c3)c([N+](=O)[O-])c2)cc1 1875106583 VSZPITWMKWPPHK-RVDMUPIBSA-N 443.499 6.361 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3Cl)cc2OC)cc1 1875110581 RGHIZCFNPBCODP-NTCAYCPXSA-N 448.946 6.345 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OC(=O)Cc1ccc(F)cc1 1875127179 RLKOCJBBKSCXEQ-JLHYYAGUSA-N 438.882 5.922 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3sccc3C)c(OCC)c2)cc1 1875130300 FFAHNGPGKAZBHJ-WUXMJOGZSA-N 436.529 5.969 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3F)c([N+](=O)[O-])c2)c(C)c1 1875135015 VLZFUFJGGZPSGS-RUDMXATFSA-N 437.398 5.605 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)CCc1ccc(Cl)cc1 1875136816 YAXRNVWCDBLQNM-VGOFMYFVSA-N 434.919 6.091 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OCC 1875140218 WDMZXPKIWZTEPA-BMRADRMJSA-N 436.592 7.254 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc([N+](=O)[O-])c1OC(=O)C1CCCC1 1875140809 YNZPHIIJJIIBOG-VAWYXSNFSA-N 437.492 5.602 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(OC)ccc2OC)ccc1OC(=O)Cc1ccccc1 1875146987 JFUVMQUUAIHVDX-JLHYYAGUSA-N 446.499 5.147 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1Cl)c1ccc(F)cc1F 1875155378 VBBIHVXPYRLKJK-XYOKQWHBSA-N 448.852 6.887 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1ccccc1OC 1875157216 SUGKCLNFOKVJGQ-MHWRWJLKSA-N 444.527 6.333 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(Cl)cc3)cc2)c1C 1875168901 ZPYHOVMZNHBVIA-VGOFMYFVSA-N 448.946 6.454 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(C)c(C)c2)c(Cl)c1 1875170984 ZUFNFZKPKXBGKI-JXMROGBWSA-N 448.946 6.698 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1 1875182830 XADRXYSJLVMUIA-RVDMUPIBSA-N 428.528 6.055 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)c1ccncc1 1875182854 YGFDJSWRMULBTK-VOTSOKGWSA-N 431.488 5.139 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)c1ccccc1C 1875191364 ZZLCGUOBMVJDGH-YRNVUSSQSA-N 441.310 6.426 30 10 IKEE CCCC[Sn](CCCC)(CCCC)c1ccc(C#N)c(C2CC2)c1 1885686919 AJGGPMHPJOYWIB-UHFFFAOYSA-N 432.240 6.492 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCC2(CCCCC2)C1 1915886317 QSVQSAMVBFHXIU-JOCHJYFZSA-N 433.390 6.587 30 10 IKEE CCCCCCC[C@@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)C(=O)O 1927449161 FGQXDJLQFGJKMM-XHCCPWGMSA-N 437.580 6.365 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1929587977 VJPSJISNMGKELG-CJFMBICVSA-N 443.588 5.543 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCCC[C@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1944559452 RFONAEDGTNYOAV-UZUQRXQVSA-N 449.617 5.462 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@]1(C#N)CCN(Cc2ccccc2)CC1(C)C 1949298593 DXTFRVDMXVBOBU-VWLOTQADSA-N 439.625 5.680 30 10 IKEE CC[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2014648238 TXFPUIYZFNWSPN-MBSDFSHPSA-N 433.524 5.249 30 10 IKEE C=CCCCCCCCCC[C@@H](N)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2026310397 PJWZLDLYIDCERP-DNQXCXABSA-N 432.649 6.121 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)C3(CC3)C2)c1 2037539911 GPVXACBAARVQFF-RUZDIDTESA-N 441.572 5.562 30 10 IKEE O=C1C(=Cc2cccc(F)c2)SC(=Nc2cccc3ccccc23)N1C[C@H]1CCCO1 2040469857 PUHJTEZAQSLHBG-HXUWFJFHSA-N 432.520 5.762 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C12CC2 2070830621 WGTARJPYQNEPSX-XMMPIXPASA-N 445.535 5.393 30 10 IKEE Cc1ccc([C@H](n2nc(C3CCC3)c(C#N)c2I)C2(C)CC2)c(F)c1 2079078084 KDKOLMQNZCSKII-SFHVURJKSA-N 449.311 5.464 30 10 IKEE CC(C)Oc1ccc([C@@H](n2nc(C3CC3)c(C=NO)c2Br)C(C)(C)C)cc1 2080127956 XPVYVGACJWPLCL-LJQANCHMSA-N 434.378 5.754 30 10 IKEE CC(C)c1cc(C(F)(F)F)ccc1-c1c(C2CCCCC2)nn2c(O)c(C#N)cnc12 2081434816 WFDPJFNKPKFERB-UHFFFAOYSA-N 428.458 6.163 30 10 IKEE Fc1cc(-c2c(C(F)(F)F)nn3c(Cl)c4c(nc23)CCCC4)ccc1C(F)(F)F 2081482422 GDKSEGSLSDKWOF-UHFFFAOYSA-N 437.746 6.105 30 10 IKEE CC1(C)OB(c2cnc(Oc3c(Cl)cccc3Cl)c(Br)c2)OC1(C)C 2115996591 QATCKFLHZNJEHS-UHFFFAOYSA-N 444.949 5.242 30 10 IKEE Cc1cccc(NCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)c1C#N 2134728624 WGGCMHOJHAEGRN-UHFFFAOYSA-N 434.539 6.637 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2c(F)cc(C)cc2Br)c1 2173405374 PSPXECQTXMWQRB-SFHVURJKSA-N 433.321 6.211 30 10 IKEE Cn1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)c(C(F)F)n1 2178750294 LPCNZXAWZNAUEP-CQSZACIVSA-N 441.276 5.127 30 10 IKEE CC(C)(C)OC(=O)NCCc1cccc(Nc2cc(Br)cc(F)c2C#N)c1 2204106415 PCJJFNFISNJDKJ-UHFFFAOYSA-N 434.309 5.271 30 10 IKEE C=CCC[C@](C)(CO)N(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1C 2211063398 IHEPHIMNKXWYQJ-GDLZYMKVSA-N 441.571 6.468 30 10 IKEE C=CCCCCCCC[C@@H](N)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2214620710 ZKZQRYUCXBIARK-ZEQKJWHPSA-N 429.649 5.400 30 10 IKEE N[C@H](C#Cc1ccccc1Br)c1cc(Br)c(Br)s1 2220269244 IAVUJRDAOHERCO-LLVKDONJSA-N 449.993 5.087 30 10 IKEE C=CCCCCCCC[C@H](N)[C@H](O)c1cc(Br)c(Br)s1 2235520739 CASCMJBTGKLQMW-JSGCOSHPSA-N 425.230 5.551 30 10 IKEE CCCCC#CC[C@@H](NC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237398452 MCMQKCNGEGBIHM-UXHICEINSA-N 437.422 5.057 30 10 IKEE Cc1cc(C(=O)N(Cc2ccccc2)CC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2247917423 CHNFERBABZIDMM-UHFFFAOYSA-N 427.419 5.044 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 2249578109 IVWLHRUNEQONOM-RSQQPWMTSA-N 447.963 5.231 30 10 IKEE CC(C)(C)OC(=O)NCCc1ccc(CNc2c(Br)cccc2C#N)cc1 2285242369 QONTWSKCMKNUMI-UHFFFAOYSA-N 430.346 5.000 30 10 IKEE CC(C)CN(Cc1c(O)ccc2c1OC(=Cc1c(Cl)cccc1Cl)C2=O)CC(C)C 2296594437 AJCAPVNAIUJHEJ-UHFFFAOYSA-N 448.390 6.429 30 10 IKEE CCCCN(CCCC)C[C@@H](O)Cn1cc(C=CC(=O)c2ccc(C)cc2)c2ccccc21 2297359303 HUVFCCVAOSDMDI-AREMUKBSSA-N 446.635 6.109 30 10 IKEE O=C1C(=Cc2cc([N+](=O)[O-])ccc2Cl)SC(=Nc2ccccc2)N1c1ccccc1 2297550458 YIWJNARZULXWKH-UHFFFAOYSA-N 435.892 6.057 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4ccccc4Br)ccc3C2=O)cc1 2314438048 FYUVZMJTBWHIOK-UHFFFAOYSA-N 435.273 5.593 30 10 IKEE CN[C@@H](C#Cc1nccs1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2316308529 RDLCIHIGDBIVEP-DEOSSOPVSA-N 440.568 5.613 30 10 IKEE C=CCSc1nnc(CC)n1N=Cc1ccc(OCc2ccc(C)cc2)c(OCC)c1 2321018174 NMPKKVUBYAWTNM-UHFFFAOYSA-N 436.581 5.287 30 10 IKEE O=C1C(=Cc2ccc([N+](=O)[O-])cc2)Oc2c1ccc1c2CN(Cc2ccc(Cl)cc2)CO1 2321957270 BDRNIMSBBCLONC-UHFFFAOYSA-N 448.862 5.217 30 10 IKEE CCn1cc(C=C2Oc3c(ccc4c3CN(Cc3ccccn3)CO4)C2=O)c2ccccc21 2321968486 RKVJEVBQBPPJCS-UHFFFAOYSA-N 437.499 5.025 30 10 IKEE CCCCCCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccccc1Cl)C3=O 2322190819 YZJCBIGYKNMUHS-UHFFFAOYSA-N 439.983 6.777 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(F)c(C)c2)c1OCC(=O)Nc1c(C)cccc1C 2322638092 KBCSMWCXLVDLOO-UHFFFAOYSA-N 447.506 5.673 30 10 IKEE Cc1c(OC(=O)c2ccccc2F)ccc2c1OC(=Cc1c(F)cccc1Cl)C2=O 2322795515 RZZXPPVBYHYJES-UHFFFAOYSA-N 426.802 5.762 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1C 2322991897 ABGWGDUGWSZKHW-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(=Cc2cn(C)c4ccccc24)C3=O)cc1 2323195448 FFTMKCDJBOLPLR-UHFFFAOYSA-N 439.467 5.087 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc(C(F)(F)F)cc4)c3C)C2=O)o1 2323352836 ALOQLUFWPHSEOM-UHFFFAOYSA-N 428.362 5.751 30 10 IKEE CCOc1ccc(CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2OC)C3=O)cc1 2323371048 ULUQHMLCGLYSSH-UHFFFAOYSA-N 444.483 5.167 30 10 IKEE O=C(Cc1ccc(Cl)c(Cl)c1)Oc1ccc2c(c1)OC(=Cc1cccnc1)C2=O 2323413134 VDRFUBOAJCZTND-UHFFFAOYSA-N 426.255 5.153 30 10 IKEE Cc1c(OC(=O)C=Cc2cccs2)ccc2c1OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2323530650 UPSCFKYWLBPYDH-UHFFFAOYSA-N 433.441 5.200 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3cccc(Cl)c3)cc2OC)o1 2323777652 PKGMUVWIBNJTKE-UHFFFAOYSA-N 440.879 5.593 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OCc1c(F)cccc1Cl 2323802600 NPLXGQPUBYONHG-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE Cc1cc(OC(=O)CCc2cccs2)cc2c1C(=O)C(=Cc1ccc(N(C)C)cc1)O2 2323983493 OGTVZRROIOJCJN-UHFFFAOYSA-N 433.529 5.277 30 10 IKEE C[C@@H]1CCCN(Cc2c(O)ccc3c2OC(=Cc2cccc(Br)c2)C3=O)C1 2324066527 WAMPNXIBVDRPSQ-CQSZACIVSA-N 428.326 5.003 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OCc3ccccc3C)c(Cl)c2)cc1C(C)C 2324262356 YMUXYIINQAQJQC-UHFFFAOYSA-N 448.990 7.564 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2)c(Cl)c1)c1ccc(Oc2ccccc2)cc1 2324281611 JLBZKZWKELSBSM-UHFFFAOYSA-N 440.926 7.607 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OCc1cc(C)ccc1C 2324561565 PJMKRNBXEDFVRH-UHFFFAOYSA-N 428.572 7.103 30 10 IKEE Cc1c(OCCOc2ccc(Cl)cc2)ccc2c1OC(=Cc1ccc(C(C)C)cc1)C2=O 2324666431 ZUYBLQNXRKFQSC-UHFFFAOYSA-N 448.946 6.846 30 10 IKEE COc1ccc(C=C2Oc3cc(OCCOc4ccc(OC)cc4)cc(C)c3C2=O)cc1 2324676820 GCFDWSBEAWWYFN-UHFFFAOYSA-N 432.472 5.086 30 10 IKEE Cc1cc(C)c(-c2csc([C@H](C#N)C(=O)C(=Cc3ccccc3)c3ccccc3)n2)c(C)c1 2324787807 CEWQUSOLROFOSV-RUZDIDTESA-N 448.591 7.152 30 10 IKEE CCOc1ccccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccccc1C)C2=O 2324897044 SXFGBJISGHACHL-UHFFFAOYSA-N 443.499 5.336 30 10 IKEE Cc1c(OCC(=O)Nc2ccc3ccccc3c2)ccc2c1OC(=Cc1ccncc1)C2=O 2324960323 HUIABSASEKUUQH-UHFFFAOYSA-N 436.467 5.177 30 10 IKEE Cc1cc(OCc2cccc3ccccc23)cc2c1C(=O)C(=Cc1ccccc1Cl)O2 2325272648 TYLMIZNVMGATGD-UHFFFAOYSA-N 426.899 6.997 30 10 IKEE Fc1cccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2Cl)c1 2325490468 UJXGQEAKWIFHOE-UHFFFAOYSA-N 436.943 5.836 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1OC(=O)c1ccc(-n2cccc2)cc1 2325750971 MTRHWJWWSUCVMJ-UHFFFAOYSA-N 441.458 5.740 30 10 IKEE CC(C)Oc1ccc(C=Nn2cnnc2SCc2cccc(F)c2)cc1Br 2326725869 BDNNYIJDOBWEGJ-UHFFFAOYSA-N 449.349 5.141 30 10 IKEE CCCCC1CCC(c2nnc(SCc3cccc(C)c3)n2N=Cc2cccn2C)CC1 2328131389 AUSZRTYJWAVWNW-UHFFFAOYSA-N 449.668 6.564 30 10 IKEE Cc1cccc(CSc2nnc(CCCOc3ccccc3)n2N=Cc2cccn2C)c1 2328724522 ZPHUYHWENRYJOC-UHFFFAOYSA-N 445.592 5.111 30 10 IKEE CCCSc1nnc(COc2ccc(C)cc2C)n1N=Cc1ccc(Cl)cc1Cl 2328906055 LLBVFMXUQKALIS-UHFFFAOYSA-N 449.407 6.165 30 10 IKEE Fc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2N=Cc2ccncc2)cc1 2329862062 DACCKILWYSUKBZ-UHFFFAOYSA-N 437.931 5.231 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccccc3)n2N=Cc2ccccc2Cl)cc1 2329874252 VDCSETZSUWQTAW-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1ccc(OCc2ccccc2C)cc1 2330047262 FPQNYILFVKNEHL-FQEVSTJZSA-N 442.588 5.921 30 10 IKEE Fc1cccc(CSc2nnc(Cc3cccs3)n2N=Cc2ccc(F)cc2F)c1 2330360121 WEGVHBHIEZFLSQ-UHFFFAOYSA-N 444.507 5.522 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)ccc1OC(=O)Cc1ccccc1F 2330763040 HZUWVMJDMMJHNF-UHFFFAOYSA-N 432.491 5.831 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1 2331195165 UNZFUODOSQHBMF-UHFFFAOYSA-N 441.310 6.507 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(OC)c3)c([N+](=O)[O-])c2)cc1 2331200501 FFKUJZPCLLVOCW-UHFFFAOYSA-N 447.443 5.117 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)C(F)(F)F)c(Br)c2)c(C)c1 2331224405 BYBHTCXWVZFEBL-UHFFFAOYSA-N 427.216 5.430 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2Cl)cc1)c1ccc(Cl)c(Cl)c1 2331238958 HFJOYKYHSITPPH-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)cc1 2331259528 RSLJBAYGVONLBT-UHFFFAOYSA-N 425.311 6.346 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c2)cc1 2331273575 QZXXQJXRWVMLGZ-UHFFFAOYSA-N 443.499 6.316 30 10 IKEE COCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OC 2331502896 IEMFTQBXLGXEMP-UHFFFAOYSA-N 447.325 5.029 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2Cl)cc1 2331522958 QRXNPCFZYQQWIT-UHFFFAOYSA-N 438.882 5.922 30 10 IKEE CCCSc1nnc(CCC)n1N=Cc1cccc(OC)c1OCc1cccc(C)c1 2331657782 MAKFGYZNXXCXHQ-UHFFFAOYSA-N 438.597 5.511 30 10 IKEE CCc1ccc(C=Nn2c(SCC(=O)Nc3ccc(CC)cc3)nnc2C(C)C)cc1 2331684189 YNTCQCUAMPBYGF-UHFFFAOYSA-N 435.597 5.139 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1)c1cccc(Cl)c1 2331859823 NQFAMRGIRGRFCS-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)C2CC2)c(Br)c1 2331876844 QMIUEHRWLLRCOM-UHFFFAOYSA-N 435.701 5.323 30 10 IKEE C=C([C@H](NCCC)[C@@H](O)c1sc(Cl)cc1I)C(C)(C)C 2366646998 BHIKOBOTZICQFE-QWHCGFSZSA-N 427.779 5.010 30 10 IKEE C=C1CC(CNCC(C)C)(Cc2ccc(I)c(Br)c2)C1 2377297355 YTCDJGPBBRQQRZ-UHFFFAOYSA-N 448.186 5.178 30 10 IKEE CCOc1ccc2c(c1)O/C(=C\c1cccc(OCC)c1OC(=O)C1CCCCC1)C2=O 8823860 PJIFKLFRCFCFIL-HAHDFKILSA-N 436.504 5.586 30 10 IKEE O=C(/N=C1/c2ccccc2CN1c1cccc(Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1 12524157 FPEJWGJVRAMICA-GFMRDNFCSA-N 426.259 5.509 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2 14460364 PJGBRVXGHDSQQC-DPLHUUCSSA-N 440.996 5.529 30 10 IKEE O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1ccc(-c3ccccc3)cc1)Nc1ccccc1N2 21222700 NYZFUVYWGUPQKK-PZGXJGMVSA-N 448.591 7.395 30 10 IKEE COc1ccc(/N=C2/S/C(=C/c3cccc(F)c3)C(=O)N2c2ccc(OC)cc2)cc1 33349017 CVLCOTMAMDSXPO-UMUYUUQJSA-N 434.492 5.652 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(F)cc2)c1)c1ccc(Br)cc1 35343060 QHSMYNHESIDXIJ-YIXHJXPBSA-N 425.253 5.704 30 10 IKEE C=C(C)COc1ccc(-c2nc3c(Cl)cc(Cl)cn3c2CN2CCCNCC2)cc1 40686469 UYICAOBHTUSHEL-UHFFFAOYSA-N 445.394 5.058 30 10 IKEE C=C[C@](C)(/C=C/[C@H](C)CC/C=C(\C)CC[C@H](C)C(=C)C)CC/C=C(\C)CC[C@@H](C)C(=C)C 95627918 YIERDWVPDSIPLW-XUCLUBLFSA-N 438.784 10.809 30 10 IKEE in-vitro Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 97554164 GMYOCCGSBVKAIX-YVNCXZRQSA-N 425.319 5.190 30 10 IKEE CCN1C/C(=C/c2ccc(N(CC)CC)cc2)C(=O)/C(=C/c2ccc(N(CC)CC)cc2)C1 97993052 SBBSOVIOYNQVMD-GAHATOAQSA-N 445.651 5.751 30 10 IKEE CCCCCCCCCCOc1ccc(C2=N/C(=C/c3ccccc3OCC)C(=O)O2)cc1 100167603 OXJBWHBJWNQFBL-NJNXFGOHSA-N 449.591 6.949 30 10 IKEE CCCCCCCCCCn1c([C@H](C)Oc2ccc(Cl)c(C)c2)nc2ccccc21 102189900 RUDFMTQKWPZQQW-NRFANRHFSA-N 427.032 8.279 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)/C(=C(\O)c4cccs4)[C@H]3c3ccco3)sc2c1 102908938 FOQLOESFQAVPSU-LYHOESIGSA-N 436.514 5.140 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)/C(=C(\O)c4ccccc4)[C@@H]3c3cccs3)sc2c1 102911029 AJLACHGHSQMVBT-LCPUNJGISA-N 446.553 5.547 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OC(=O)c4ccccc4OC)ccc3C2=O)c2ccccc21 103024657 IEACCSJHDIMJHM-QFEZKATASA-N 439.467 5.505 30 10 IKEE COc1cccc(/C=C2/Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc3C2=O)c1 110520769 LLJRWEDZFHACBA-BUVRLJJBSA-N 428.484 5.828 30 10 IKEE COc1cc(C(=O)N[C@@H](C#N)c2ccc(F)cc2F)ccc1OCc1ccc(Cl)cc1 111029083 WXMIWJNTIXCHKN-FQEVSTJZSA-N 442.849 5.200 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/Nc2ccc(C)c(Cl)c2)cc1OCC 169879432 NIUDLLZSIPHDTG-ZXVVBBHZSA-N 431.020 7.623 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\Nc2nc3cc(C)ccc3[nH]2)cc1OCC 169893342 GEUKWDRGIKIHJF-DIBXZPPDSA-N 436.600 6.845 30 10 IKEE CCN(Cc1ccccc1)c1ccc(/C=N\n2c(S)nnc2COc2ccccc2)cc1 169914198 AMYLOXPPDGHRKR-ONUIUJJFSA-N 443.576 5.055 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 169925489 MYVMNVJHQUZNPI-XMMPIXPASA-N 443.499 5.104 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1cccc(C)c1 169971492 QHTFPVDAFUBSGF-JOCHJYFZSA-N 435.426 5.065 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2cccs2)c1 169984240 GYWOZNWHLPTSGJ-NRFANRHFSA-N 437.948 6.110 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@@H]2c2ccccn2)cc1 169993088 JOXPZQPAIXADJO-OAQYLSRUSA-N 436.870 5.219 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2sccc2C)cc1 170106917 DDOVNODHKVBDDZ-FQEVSTJZSA-N 437.948 6.055 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cc(C)c(OC)cc3C)=C(O)C(=O)N2C2CCCCC2)cc1 170114939 SPDHOSOFTSIHAR-DEOSSOPVSA-N 449.547 5.232 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@H]1c1cccc(OC)c1 170120399 GTFLSQKQWCQNFA-HSZRJFAPSA-N 437.536 5.206 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2C[C@@H]2CCCO2)c1 170143548 XQYYKBJISRKUFR-URXFXBBRSA-N 447.575 5.358 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccnc2)cc1 170188204 JZCBKQZZIRYVIU-DEOSSOPVSA-N 442.515 5.434 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@H]1c1cccc(OCC)c1 170217724 UGFOFLAUYHSLDA-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(OCC)c1 170218417 JOXYYSUVUWNJOA-OAQYLSRUSA-N 427.928 5.507 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1cccc(OCC)c1 170218486 LMZQOUKFSZKTBR-QHCPKHFHSA-N 437.536 5.171 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2)c1 170221655 WTGSEXIUUSDFMH-QFIPXVFZSA-N 433.529 5.315 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccccc2)cc1C 170229249 PXPZTFRXHSZPMG-JOCHJYFZSA-N 435.426 5.065 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(Cl)cc2)ccc1Cl 170236896 SESHSWPRSXWKNE-HXUWFJFHSA-N 446.330 5.523 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2F)c(C)c1 170249295 LHGQBDUUISACEG-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccco2)cc1C(C)(C)C 170291939 ARCKUWDHRHNLOL-JOCHJYFZSA-N 449.503 5.347 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccc(C)o2)c1 170302335 QREDDEASNJOSFQ-DEOSSOPVSA-N 445.515 5.777 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1sccc1C 170317572 NJFFFUBAHCSXSC-HXUWFJFHSA-N 425.550 5.285 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(C)c2)cc1OC 170362955 FKUUVXHFVCHJJT-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE CCN(CC)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2ccccc2C)cc1 170396671 AYYRDOSETCDQAK-DEOSSOPVSA-N 441.531 5.019 30 10 IKEE CC(C)(C)c1ccc2oc(-c3ccc(N=C/C=C\c4ccc([N+](=O)[O-])cc4)cc3)nc2c1 254669094 OKWZDIYDMBCAMI-DKDJOGJDSA-N 425.488 7.116 30 10 IKEE COc1cc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccco2)ccc1OCC(C)C 526491182 LZARQLVPPUTCSN-DEOSSOPVSA-N 444.487 5.252 30 10 IKEE CC(C)COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccc(O)c2)c1 526514793 DEAXWDLRORSMCJ-RUZDIDTESA-N 440.499 5.356 30 10 IKEE CCc1nnc(SCc2cccc(C)c2)n1/N=C\c1ccccc1COc1ccccc1 526808168 PCPHPBNAKUEJPJ-PKAZHMFMSA-N 442.588 5.902 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1c(Cl)cccc1Cl 526811323 HNQQPABEFWMBPA-MSXFZWOLSA-N 433.408 6.329 30 10 IKEE Cc1cccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccc(C)cc2C)c1 526812355 QDALWEDFRZCMLB-VEILYXNESA-N 440.616 6.163 30 10 IKEE CCCCCCCCCCCCCCCCN(CCCN(C)C)C(=O)CCC(N)=O 585663853 FTSGVBBJICJVMG-UHFFFAOYSA-N 425.702 5.514 30 10 IKEE N#Cc1cccc(NC(=O)c2ccc(NC(=O)NC3CCCCCCCCCCC3)cc2)c1 586611440 GQPPGXUIQZEPKK-UHFFFAOYSA-N 446.595 6.605 30 10 IKEE C=CCCCCC[C@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 693684500 MTPZEANJTCVIKO-RPLLCQBOSA-N 443.676 5.661 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@@H](C#N)c1ccc(Cl)cc1Br 698817531 GSHNXCBBOPFBBJ-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@H](C#N)c1cc(Br)c(Cl)s1 698855224 MPIBJXWIWSCGBN-MRVPVSSYSA-N 433.677 5.528 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2ccc(C)cc2Br)cc1 698955403 FWTYPPQZMKWGJG-IBGZPJMESA-N 431.330 5.773 30 10 IKEE C=CCC1([C@@H](NCC)c2c(C)ccc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 722933456 JQALCXHKISYECP-SFHVURJKSA-N 441.385 5.360 30 10 IKEE Oc1ccc(C=Nc2ccc(Cc3ccc(N=Cc4ccc(O)cc4O)cc3)cc2)c(O)c1 1084611754 YLOFCAVWNWDYSG-UHFFFAOYSA-N 438.483 5.601 30 10 IKEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)Cc1cc(C)cs1 1539918218 KNHCXGJLJMTXRC-UHFFFAOYSA-N 448.596 5.203 30 10 IKEE C=CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(Cc1cccs1)C(C)C 1594720809 XRPQUIYKXQDOLW-UHFFFAOYSA-N 434.569 5.037 30 10 IKEE CCCCOc1ccc(/C=C2\SC(=Nc3cccc(C)n3)N(CC)C2=O)cc1OC 1772731897 SCBPLWAYWKUAAQ-LJVHWXJXSA-N 425.554 5.201 30 10 IKEE CC(=C/c1ccccc1)/C=C1/SC(=NN=Cc2ccc(F)cc2)N(Cc2ccco2)C1=O 1772758396 UJKPMUGWBHKUAV-ILPWQEAMSA-N 445.519 5.872 30 10 IKEE CCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O 1775955896 TZFSRFITTJGSJQ-IBGZPJMESA-N 428.614 5.172 30 10 IKEE N#Cc1ccc(NC(=O)c2cc(-c3cccc4ccccc34)n(-c3ccc(Cl)cc3)n2)cc1 1859390614 COFGUPIRRULOGM-UHFFFAOYSA-N 448.913 6.470 30 10 IKEE Cc1cc(C(=O)Nc2c(C#N)cnn2-c2ccc3ccccc3n2)c2cccc(Cl)c2n1 1859649476 PPUSPUWSWXKTSX-UHFFFAOYSA-N 438.878 5.055 30 10 IKEE CC[C@@H](C)N(C(=O)/C=C/c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1859899388 NLRIZMMAUGQNJW-YSKGHYERSA-N 433.367 6.708 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1cccc(Cl)c1 1862417760 ZJJUZRCSDRNVGM-XFPJRNFQSA-N 445.893 5.775 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCCc2ccccc2)cc1 1862442449 SHEFPDICJYCSCY-XMMPIXPASA-N 445.946 5.860 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@H]1c1ccc(F)cc1)c1cccc(Cl)c1 1862442513 JZFPJDUCEODYFT-QFIPXVFZSA-N 439.914 5.948 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCCOC(C)C)cc1 1862445434 VXNMTPBVVSCFMZ-JOCHJYFZSA-N 441.955 5.296 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862450287 DDLPDKVOFIEIBJ-QVKFZJNVSA-N 427.928 5.506 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccccc1C 1862507761 SUANJBBFOFQULH-YKSBVNFPSA-N 437.555 6.380 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C2CCCCC2)cc1 1862560356 DHDKJRBOFLHOSS-QHCPKHFHSA-N 432.564 5.477 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1[C@@H]1CCCC[C@H]1C 1862648436 BBODCPWNMZEDQH-GJQIQAERSA-N 439.555 6.305 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCCCO)[C@@H]1c1cccc(Cl)c1)c1cccc2ccccc12 1862654158 WFRUUYLEVMVHFM-HSZRJFAPSA-N 449.934 5.234 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(C(C)C)cc2)=C(O)C(=O)N1Cc1ccccc1 1862661653 XESDAEFOWASKST-VWLOTQADSA-N 425.528 5.897 30 10 IKEE Cc1cccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccccc3Cl)C2=O)c1C 1863069946 PFSNSWXDCUOHJH-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccccc2F)C1=O 1863297736 YKWXWOFFQTZALK-UHFFFAOYSA-N 447.554 6.030 30 10 IKEE C=CCN(CC=C)c1cc(N2CCCc3ccccc32)nc(-c2ccc(C(C)(C)C)cc2)n1 1868001416 BZQSFESHQWDHSI-UHFFFAOYSA-N 438.619 6.704 30 10 IKEE CC(C)(C)c1nc(Nc2ccc(C#N)cc2)cc(N2CCC[C@H](Oc3ccccc3)C2)n1 1868355331 GHMHWPJLDJANBM-QFIPXVFZSA-N 427.552 5.437 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](CCCC)NC(=O)C[C@H](c1ccc(C(C)C)cc1)C(C)C 1868704542 KALWLROHRCOAOP-DQEYMECFSA-N 426.645 5.815 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3ccc(C(C)C)cc3[C@H]2c2ccccc2)nc(C)n1 1869290812 BSFTZMTWKGGIDT-GDLZYMKVSA-N 438.619 6.239 30 10 IKEE C=CCn1cc(OCc2ccc(C(C)C)cc2)c(=O)cc1CN1CCc2ccccc2C1 1870470773 VWCMMJSBHSYSEN-UHFFFAOYSA-N 428.576 5.295 30 10 IKEE CCCCCCCCCCn1cc(OCCCO)c(=O)cc1CNc1ccc(C)c(C)c1 1871265307 ORJRPSYUKIFCCH-UHFFFAOYSA-N 442.644 5.979 30 10 IKEE CCCCCCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(OC)cc1)C3=O 1871349738 ZCOJZTMJPPSIGD-JLPGSUDCSA-N 435.564 6.132 30 10 IKEE O=C(/C=C/c1ccco1)Oc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 1871369742 WDFJSIYAWKKZON-TYHATZGUSA-N 434.447 6.182 30 10 IKEE Cc1c(OC(=O)c2ccc(-n3cccc3)cc2)ccc2c1O/C(=C\c1cccs1)C2=O 1871383939 IODUXFJHBWQODG-JCMHNJIXSA-N 427.481 5.683 30 10 IKEE Cc1cc(O)c(CN2CCc3ccccc3C2)c2c1C(=O)/C(=C/c1c(F)cccc1Cl)O2 1871394535 CXVWUAHAECDRAI-FMCGGJTJSA-N 449.909 5.668 30 10 IKEE CC(C)=C1Oc2c(ccc(OCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)c2C)C1=O 1871428088 HVOGKGCCHNQPQV-UHFFFAOYSA-N 439.817 5.554 30 10 IKEE CC(C)c1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871435627 VUJOSYCKSNRHFG-CFRMEGHHSA-N 431.463 5.583 30 10 IKEE CCc1cccc(CC)c1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(C)o1)C2=O 1871455658 SCDYGKWFGKSTHI-UCQKPKSFSA-N 445.515 5.655 30 10 IKEE Cc1ccc2oc(=O)cc(COc3ccc4c(c3)O/C(=C\c3cccc(Cl)c3)C4=O)c2c1 1871460679 ZLAOVKOLWMWYHB-MYKKPKGFSA-N 444.870 5.950 30 10 IKEE CCCCCCCCN=c1nc(N2CCC(C)CC2)[nH]c(=NCCCCCCCC)[nH]1 1871469328 ZUBHIOKVCWHTOJ-UHFFFAOYSA-N 432.701 5.497 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1ccc(F)cc1 1872079874 VISNPNFIOFJLPH-HSZRJFAPSA-N 446.588 5.008 30 10 IKEE N#C[C@H](C(=O)COc1cc(Cl)ccc1Cl)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1872760354 MPJPNUUKWXOTEU-CQSZACIVSA-N 448.287 5.280 30 10 IKEE N#C[C@H](C(=O)/C=C/c1cccc(Cl)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872769474 SNKABGYINUVKRY-NFBGWVBBSA-N 433.747 6.660 30 10 IKEE COc1c(Cl)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)Cc2ccc(F)c(C)c2)n1 1872778382 KFMOAHOOZFIYDR-OAHLLOKOSA-N 449.334 5.992 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccc(C)cc3)n2)c(C)c1C 1872778623 PHFHPFIHCSEDDZ-NRFANRHFSA-N 434.561 5.779 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@H](C#N)C(=O)c2ccc(-n3cccc3)cc2)n1 1872786189 DRLJRIAZMKTTGO-LJQANCHMSA-N 447.947 6.061 30 10 IKEE N#Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3Sc3ccccc3)cc2)cc1 1872869734 PPDOCIUEBAOEMO-UHFFFAOYSA-N 436.536 6.541 30 10 IKEE C=CCN1C(=O)C(Nc2cccc(OCc3ccccc3)c2)=C(c2cc(C)ccc2C)C1=O 1873396306 DZPQHVUMOWVPMQ-UHFFFAOYSA-N 438.527 5.260 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(C(F)(F)F)cc1)n2C 1873619472 CFGIPMYBBWCBBT-UHFFFAOYSA-N 447.505 6.012 30 10 IKEE Cc1ccccc1OCCCc1nnc(SCc2ccccc2F)n1/N=C/c1ccc[nH]1 1874249595 GIAVUFYOFLFRJH-JVWAILMASA-N 449.555 5.240 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1cccc(OCC)c1 1874250185 WOEBCVMVIYSHKW-XIEYBQDHSA-N 436.581 5.157 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccc(C)c(C)c3)n2/N=C/c2cccn2C)cc1 1874329152 YVFDZOHLGPPZDD-WPWMEQJKSA-N 443.620 5.502 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2cccc(OC)c2)cc1 1874349706 ZOKDIKJXTRZTEH-YZSQISJMSA-N 444.560 5.061 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3Cl)n2/N=C/c2ccc[nH]2)cc1C 1874358410 GHOGPIKXOKNXCL-VULFUBBASA-N 435.984 5.642 30 10 IKEE CSc1nnc(COc2ccccc2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874382349 KRXKNLQKIMVNOO-PCLIKHOPSA-N 430.533 5.040 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2cccc(C)c2)nnc1[C@H](C)c1ccccc1 1874394281 IOVBVZLFLJEERJ-AYQSFACRSA-N 442.588 5.921 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccc(F)cc2)c1 1874406495 QLOFVCNLXFBMEU-CVKSISIWSA-N 438.572 5.729 30 10 IKEE CCOc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2C)cc1 1874416214 DWTNEIZRHIQWJE-OVVQPSECSA-N 442.588 5.751 30 10 IKEE COc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2cccc(F)c2)c1OC 1874439023 GBKSQPGOOBPZCM-AFUMVMLFSA-N 442.560 5.198 30 10 IKEE O=[N+]([O-])c1ccc(/C=N/n2c(SCc3ccccc3F)nnc2C2CCCC2)cc1 1874455833 MZKZXZHKBIXGOX-YDZHTSKRSA-N 425.489 5.158 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccco3)n2/N=C/c2ccc(N(C)C)cc2)c1 1874466772 AFZDJFGNKFHHIT-MFKUBSTISA-N 431.565 5.395 30 10 IKEE Fc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2-c2ccco2)c1 1874468792 XSAXYFYVJISOIC-BHGWPJFGSA-N 447.322 6.159 30 10 IKEE CCSc1nnc(C2CCC2)n1/N=C/c1ccc(OCc2ccc(C)cc2)c(OC)c1 1874492729 BIOZEIWBMGEQDK-MFKUBSTISA-N 436.581 5.436 30 10 IKEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2C2CCC2)c1 1874493634 WSUMSDJFYNPJBR-AFUMVMLFSA-N 433.581 5.084 30 10 IKEE Oc1ccc(Br)cc1/C=N/n1cnnc1SCc1cccc2ccccc12 1874539785 WZVPHBSBHKVXJU-FOKLQQMPSA-N 439.338 5.074 30 10 IKEE Sc1nnc([C@H]2CCCO2)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 1874559984 AKDDNPCYUNACIZ-TYLRVVQJSA-N 449.363 5.186 30 10 IKEE CCCCCOc1ccccc1/C=N/n1c(S)nnc1CCc1cccc2ccccc12 1874567658 JVHSSTOEJINOTH-ZXVVBBHZSA-N 444.604 5.956 30 10 IKEE Sc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1cccc2ccccc12 1874570426 TXBLZYTYAQQWFU-FOKLQQMPSA-N 429.332 5.488 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccccc2OCc2ccccc2C)cc1 1874584184 ATERIWUWHHTNTL-DYTRJAOYSA-N 442.599 7.819 30 10 IKEE Cc1ccc(C(=O)/C=C/c2c(OCC(=O)Nc3nccs3)ccc3ccccc23)cc1C 1874588340 HYZKBRAFWMVDGI-ZHACJKMWSA-N 442.540 5.827 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 1874589111 UEFFUYHHBNSQAG-FMIVXFBMSA-N 437.879 6.040 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(Cl)c1OCC(=O)OC 1874604024 QUAZPFAUCLXYDF-DHZHZOJOSA-N 428.912 5.065 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Br)c2)ccc1OCc1ccc(F)cc1 1874610614 BHZRFUSIOGULKN-YRNVUSSQSA-N 441.296 6.072 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Br)c2)ccc1OCc1cccc(F)c1 1874610991 WJRIZESFMCHKIP-CSKARUKUSA-N 441.296 6.072 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc(OC)c1OCC(=C)C 1874627918 CIGWFMOMAQCXPP-SFQUDFHCSA-N 440.539 7.067 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)CCCOc3ccccc3)c2)cc1 1874694147 NSDWOXLKEHUTJV-GHRIWEEISA-N 444.527 5.918 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(F)cc3)c2)c2ccccc12 1874718135 APOGNIRRETXLJJ-OQLLNIDSSA-N 426.443 6.103 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(Cl)s2)CSc2nnc(CCC)n21 1874867520 UNJBKDGZZLXSPK-OAHLLOKOSA-N 441.066 6.008 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(Cl)c1OC(=O)c1cnccn1 1875100447 FLUCXDRVOGCDJH-JXMROGBWSA-N 436.895 5.206 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)c1cccs1 1875111561 KTUZVHWLUIWAGU-CMDGGOBGSA-N 433.312 6.179 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 1875119887 RLOVUKSBGHLSRY-WYMLVPIESA-N 447.443 5.117 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)cc1)c1cccc(Cl)c1 1875123044 ABMZEQAPZNDBMK-ONAORTGXSA-N 437.322 6.599 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1 1875137394 KEFKRSLIPABSIV-LFYBBSHMSA-N 444.571 6.493 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(C)c3)cc2OC)cc1 1875142881 XWYCQOLMQCRUNW-NTUHNPAUSA-N 448.490 5.586 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)[C@@H]1CCCO1 1875156472 BUIHXIVBWNEZTN-CGIBVWHJSA-N 442.939 5.843 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)Cc1ccc(C)cc1 1875175334 KCAVXRPBXHRIIA-ACCUITESSA-N 444.527 5.673 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)CC(C)C)c(OC)c2)cc1Cl 1875187255 QEGKBQXMNTVBDV-FNORWQNLSA-N 437.319 5.858 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc1[N+](=O)[O-] 1875193620 SAUJHZNPJJKLFV-DHZHZOJOSA-N 445.899 6.029 30 10 IKEE CC#CC[C@H](COc1cc(Br)ccc1C(F)(F)F)NC(=O)OC(C)(C)C 1903151475 JRIFUKMIPBZDNF-CYBMUJFWSA-N 436.268 5.153 30 10 IKEE C=CCC(C)(C)C(=O)c1sc(Br)c(Br)c1Br 1903174830 SAWGLCOJNCUXIC-UHFFFAOYSA-N 430.987 5.821 30 10 IKEE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)[C@@H]2C[C@@H](C(C)(C)C)CC[C@H]2C#N)C1 2006130890 VGZVEQBQMJTGNE-QNWVGRARSA-N 425.617 5.462 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)c1 2031659944 IVMOBNQEOIQTOG-FQEVSTJZSA-N 441.503 6.179 30 10 IKEE CCCCCCCCC[C@@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCC 2035467814 QEIANOJLWVYZNU-LOSJGSFVSA-N 448.692 6.605 30 10 IKEE CCC(C)(C)[C@@H]1CC(=Cc2cc(C#N)n(C)c2C)c2nc3ccccc3c(C(=O)O)c2C1 2040458971 MRWPCWXVFOXYEM-LJQANCHMSA-N 427.548 5.991 30 10 IKEE C=C1CCC(C[C@H](N)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CC1 2071265958 YXZDTPRFTVOZFR-MHZLTWQESA-N 427.588 6.981 30 10 IKEE CC#CCCCC[C@@H](NC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2075373684 RBTMCMVXTTWONQ-HHHXNRCGSA-N 427.588 6.689 30 10 IKEE C=CC1(Oc2cc(Cl)c(Br)cc2N)CCN(C(=O)OC(C)(C)C)CC1 2078216686 XYYODDMFQMSHCA-UHFFFAOYSA-N 431.758 5.019 30 10 IKEE Cc1ccc([C@@H](C(C)C)n2nc(C3CC3)c(/C=N/O)c2I)c(C)c1 2079035200 ZRNVLXFZYMAMLQ-VMHWHBCQSA-N 437.325 5.035 30 10 IKEE Cc1ccc([C@H](n2nc(C(C)(C)C)c(C#N)c2I)C(C)(C)C)c(C)c1 2079071052 GBJHFMHIPLVKAH-SFHVURJKSA-N 449.380 5.909 30 10 IKEE Fc1cc(-c2c(C(F)(F)F)nn3c(Cl)c4c(nc23)CCOC4)ccc1C(F)(F)F 2081425041 QYBMUONLUNJUKO-UHFFFAOYSA-N 439.718 5.299 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1cc2sccc2s1 2140588720 GBTWWNQIJVBRER-CQSZACIVSA-N 449.395 6.732 30 10 IKEE N#Cc1ccc(NCC2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c(F)c1Br 2159218416 WCWDBYZPHMZBNX-JLYLLQBASA-N 428.349 5.315 30 10 IKEE C#CCCC[C@H](NCCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237422598 YCTFJXZIPZSFGE-VQTJNVASSA-N 437.422 5.057 30 10 IKEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)[C@H](C)C(C)(C)C 2255610877 QIDRGIKXKSOSSH-GOSISDBHSA-N 441.446 5.433 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)c1sc(C)cc1Br 2261826969 NFUXDFUVOGNBJC-SFHVURJKSA-N 425.344 5.124 30 10 IKEE CC(C)c1cc(Br)cc([C@@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)c1 2280731910 RTAHOQPDTMITCL-LJQANCHMSA-N 449.414 6.636 30 10 IKEE C=CCCC1([C@@H](N)c2cc(Br)cc(C(C)C)c2)CN(C(=O)OC(C)(C)C)C1 2281043379 XCKMLRIBIAHDSG-IBGZPJMESA-N 437.422 5.776 30 10 IKEE C[C@@]12CC[C@@]3(C)[C@]4(C)CC(=Cc5ccncc5)C(=O)[C@]4(C)CC[C@]3(C)[C@@]1(C)CC[C@H](O)C2 2294712150 GYTNBVPAHRXQRC-FUHNCEPQSA-N 435.652 6.608 30 10 IKEE O=C1C(=O)N(c2ccc(F)cc2)[C@@H](c2ccccc2Cl)C1=C(O)c1ccc(Cl)cc1 2296091503 ROMUWBVABRQNOU-FQEVSTJZSA-N 442.273 5.759 30 10 IKEE O=C1C(=Cc2ccccc2)Oc2cc(OC(=O)N(c3ccccc3)c3ccccc3)ccc21 2296871129 RXODHIGWJAQSBO-UHFFFAOYSA-N 433.463 6.640 30 10 IKEE O=S(=O)(N=C(SC(=S)c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 2297347145 FGCAWINSZOLPHC-UHFFFAOYSA-N 431.991 5.584 30 10 IKEE CCCCCCCC1=NN2C(=N)C(=Cc3ccc(N(CC)CC)cc3)C(=O)N=C2S1 2297463282 ZCZZIURTVXSTSD-UHFFFAOYSA-N 425.602 5.512 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)SC1=S 2297577679 OWOMSCIWILFZOC-UHFFFAOYSA-N 448.978 5.787 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 2297735041 WDLUUDAGFQCRQK-XMMPIXPASA-N 445.902 5.531 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)OC(C)(C)C 2312625748 KVYYGMHJIUZNDX-CXSMSNRLSA-N 442.644 5.696 30 10 IKEE O=C1NC(=Nc2ccc(F)cc2)SC1=Cc1ccc(-c2cccc(Br)c2)o1 2313557526 FRCNSNJZDQTLPF-UHFFFAOYSA-N 443.297 5.740 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCc4ccc(Cl)cc4Cl)ccc3C2=O)cc1 2314437305 IPVBYVKEICZAGW-UHFFFAOYSA-N 425.311 6.751 30 10 IKEE COc1ccc(OC)c(C=C2SC(=Nc3cccc(C)n3)N(c3ccccc3)C2=O)c1 2314540515 RRIAAQXOKKENLR-UHFFFAOYSA-N 431.517 5.216 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=Nc1cccnc1 2314541507 MVCUHHLIOUIPFW-UHFFFAOYSA-N 432.461 5.040 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Cl)cc(Br)c1F 2315454034 SNGJYIYVFRWXTF-GDBMZVCRSA-N 435.765 5.362 30 10 IKEE COC1(C#C[C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCC1 2315701742 XQCKMOMGNRDBOE-VWLOTQADSA-N 428.528 5.451 30 10 IKEE N#Cc1nc([C@@H]2C[C@H]2c2ccccc2)oc1NN=Cc1ccccc1OCc1ccccc1 2320837440 VHQSYICHHYRWDB-XZOQPEGZSA-N 434.499 5.842 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc4c3CN(Cc3ccc(Cl)cc3)CO4)C2=O)cc1 2321955365 ZYJSXAVHCCWMPB-UHFFFAOYSA-N 447.918 5.707 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(F)cc1)C3=O)CN(Cc1ccccc1Cl)CO2 2322305699 NEIIJALHQOVTFA-UHFFFAOYSA-N 435.882 5.756 30 10 IKEE O=C(C=Cc1c(OCc2ccccc2F)ccc2ccccc12)c1cccc([N+](=O)[O-])c1 2322307995 SQTFGCZYJBQQIX-UHFFFAOYSA-N 427.431 6.362 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)c1OCc1ccc(F)cc1 2322312005 MKXLGLPWLTWLEC-UHFFFAOYSA-N 441.842 5.871 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1c(F)cccc1Cl)C3=O)CN([C@@H]1CCCC[C@@H]1C)CO2 2322391807 OLVGWSOABWHPCH-LHSJRXKWSA-N 441.930 6.134 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Br)ccc2OCc2ccccc2)cc1C 2322413040 UHTGKLQTMIKFTE-UHFFFAOYSA-N 437.333 6.241 30 10 IKEE CCCCCCCCCOc1ccc(C=Nn2c(SC)nnc(C)c2=O)c(Cl)c1 2323019134 MMOFPRQOZAVASA-UHFFFAOYSA-N 437.009 5.334 30 10 IKEE O=C(C=Cc1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1ccc(Cl)c(Cl)c1 2323150860 OCYLMFHFDYFKRR-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccncc1)C2=O)c1cccc(OCc2ccccc2)c1 2323842863 MNKNAFSXULGTLN-UHFFFAOYSA-N 449.462 5.496 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(C)o2)C3=O)c1 2323896036 DLZIBWKABXQVKW-UHFFFAOYSA-N 432.428 5.047 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2Cl)cc1 2323943800 NRVNVJPRVBELET-UHFFFAOYSA-N 433.935 6.179 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)c1 2323944083 PBBNBIXILGSPMP-UHFFFAOYSA-N 445.773 7.739 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OCC(=O)Nc2ccccc2)cc1 2324220257 FGLQUJCEFSSROR-UHFFFAOYSA-N 443.543 5.906 30 10 IKEE CCCOC(=O)COc1ccc(C=CC(=O)c2cc(OCC)ccc2OCC)cc1Cl 2324388690 MXJYBYXZYUAPKC-UHFFFAOYSA-N 446.927 5.366 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(Cl)c(Cl)c3)n2)cc1C 2324406296 DZFFOYNCVJXCNM-MRXNPFEDSA-N 443.355 6.324 30 10 IKEE COc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1sccc1C)C2=O 2324472536 VYRDIUSXBNZAOQ-OAHLLOKOSA-N 435.501 5.087 30 10 IKEE Cc1ccc(NC(=O)CCOc2ccc3c(c2C)OC(=Cc2cccc(F)c2)C3=O)cc1 2325226105 IIYAQADMPFQEJE-UHFFFAOYSA-N 431.463 5.466 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(Cc2ccccc2)n1N=Cc1ccco1 2325507178 RBFBQSRKQZCCEG-UHFFFAOYSA-N 426.904 5.429 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCC(=O)Nc4cc(Cl)ccc4C)ccc3C2=O)c1 2325723381 FHEYBFCVXCRKMO-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE COc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(Cl)c(Cl)c3)c2)cc1 2325737112 QLCSQBXIWNNFTD-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OC(=O)CCOc1ccccc1 2325741482 MYQIDDHBFYCOGR-UHFFFAOYSA-N 434.463 5.413 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1OC(=O)c1ccc(Cl)cc1 2325753012 XGNVYMBCAPXSLL-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE CSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1ccc(F)cc1F 2325911037 IZIQLWLBSDXVCZ-UHFFFAOYSA-N 429.279 5.046 30 10 IKEE CCCc1nnc(SCc2ccc(Br)cc2)n1N=Cc1ccc(OC)cc1 2326619598 SDPVFTWNANSCQE-UHFFFAOYSA-N 445.386 5.176 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2ccccc2)c(C)c1 2328897903 MSZVLNFSEQUGSL-UHFFFAOYSA-N 428.561 5.648 30 10 IKEE Cc1ccccc1CCc1nnc(SCCc2ccccc2)n1N=Cc1ccccc1 2329489642 UCRZEAQGBIYIBE-UHFFFAOYSA-N 426.589 5.589 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccc(F)cc3)n2N=Cc2ccccc2C)c1 2329839943 FMYWSNBFDZHGEC-UHFFFAOYSA-N 444.579 6.108 30 10 IKEE C(=Nn1c(Cc2ccccc2)nnc1SCc1ccccc1)c1cccc2ccccc12 2330491954 HLDCJJCPZDPQRE-UHFFFAOYSA-N 434.568 6.197 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)COc3ccc(Cl)c(C)c3)cc2)c1 2330775782 KSQPZLVSAPXOGH-UHFFFAOYSA-N 436.891 5.538 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2ccc(F)cc2)nnc1C1CCCC1 2331031742 XQFYUEZSCHZOKC-UHFFFAOYSA-N 436.556 5.814 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OC(=O)c1ccc(F)cc1F 2331108804 VMRHTYWVSZHJHR-UHFFFAOYSA-N 430.353 5.367 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)c1sccc1C 2331232276 BXUQTXBXGYHQBH-UHFFFAOYSA-N 446.568 6.526 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3[N+](=O)[O-])c(Cl)c2)cc1 2331260363 ZHHJKTUSIUECHZ-UHFFFAOYSA-N 435.863 5.601 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3cc(Cl)ccc3Cl)cc2)c1 2331313561 UVGUSNZGADITNL-UHFFFAOYSA-N 439.338 6.654 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Br)c1OC(=O)C1CC1 2331325312 JDWNYKZXWDLVGE-UHFFFAOYSA-N 429.310 5.286 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(SCc2ccc(F)cc2)nnc1C(C)(C)C 2331376125 ITIKNXJRTTXGRZ-UHFFFAOYSA-N 448.567 6.051 30 10 IKEE O=C(Cc1ccccc1)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1Cl 2331399559 XTJYGQINDHXDND-UHFFFAOYSA-N 434.875 5.155 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(C2CCC2)n1N=Cc1cccc(Cl)c1 2331547925 UCKTYYUIYMQIBS-UHFFFAOYSA-N 435.355 6.166 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3)c([N+](=O)[O-])c2)c1C 2331648837 OXLPVVWCUNBRTR-UHFFFAOYSA-N 447.462 6.083 30 10 IKEE CCSc1nnc(C(C)C)n1N=Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 2331691789 MGBSZGYORRBPIX-UHFFFAOYSA-N 444.988 5.637 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(Cl)cc3)c(Cl)c2)cc1C 2331705888 YSKQWZSYRJMCJD-UHFFFAOYSA-N 439.338 6.654 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CC3CCCCC3)cc2)c(OCC)c1 2331731252 UPSFWUHNKCHARD-UHFFFAOYSA-N 436.548 6.256 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OC(=O)Cc2ccccc2F)cc1 2331741324 PYFLGPFCYUGGSA-UHFFFAOYSA-N 438.882 5.840 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)Cc1cccs1 2331801456 YWZJEKKYLMMHTL-UHFFFAOYSA-N 448.584 6.407 30 10 IKEE CC(C)[C@@](C)(COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339574645 KVYIBZOHRDMOFJ-XIQMRYHBSA-N 446.397 5.044 30 10 IKEE CCCCCCCC[C@H](N)c1c(Cl)cc(Br)c(F)c1Br 2362239572 VTHLZJVSYDLBOO-LBPRGKRZSA-N 429.599 6.755 30 10 IKEE COC1(C#C[C@H](O)c2cc(NC(=O)OC(C)(C)C)ccc2Br)CCCCC1 2363512396 UOKDZOJLXAGOIN-SFHVURJKSA-N 438.362 5.182 30 10 IKEE COc1cccc(-c2cc(-c3cccs3)c(C#N)c(SCc3ccc(Cl)cc3)n2)c1 20274509 RKXMLWCWUGSUQP-UHFFFAOYSA-N 449.000 7.303 30 10 IKEE CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(O)c2)cc1 20885427 LATJSUAWBNBKQF-MMTVBGGISA-N 438.571 6.669 30 10 IKEE CC(C)(C)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 21253236 QATBZXMNFOSKTJ-HFJWLAOPSA-N 428.601 7.025 30 10 IKEE COc1ccc(-c2csc(/N=C(\O)C(=O)c3c(C)nn(-c4ccccc4)c3C)n2)cc1 29144381 TYJMXUCTFLISNL-UHFFFAOYSA-N 432.505 5.092 30 10 IKEE COc1ccc(/C=C\c2cc(-c3cccc(C)c3)n3c(nc4ccccc43)c2C#N)cc1O 33503811 ADWRCEXNXIKKCJ-BENRWUELSA-N 431.495 6.219 30 10 IKEE CCCCc1cc(CCCC)nc(NNC=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)n1 38185603 ZUOQLQWTKLXYOM-UHFFFAOYSA-N 438.660 6.490 30 10 IKEE C=CCOc1ccc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCCCC)cc1 38592551 XDWJTUFJAIZMTB-XMMPIXPASA-N 431.532 5.710 30 10 IKEE O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)Oc2ccc(Br)cc21 39842491 OUVYWKICIXDYAK-XKZIYDEJSA-N 443.300 5.918 30 10 IKEE CN(C)c1ccc(/C=C2\S/C(=N/c3ccncc3Cl)N(c3ccccc3)C2=O)cc1 39864542 NKSYNFMSCQOAJI-USXILQPXSA-N 434.952 5.610 30 10 IKEE COc1cc(OC)c(OC)cc1/C=C1\Oc2c(ccc(OCc3ccc(C)cc3)c2C)C1=O 41433259 DXWFUGVMANBECD-MXAYSNPKSA-N 446.499 5.524 30 10 IKEE COc1ccc2nc([C@@H](C)NC(=O)c3ccc(C#N)cc3)n(Cc3cccc(Cl)c3)c2c1 43255174 SUNVOYUVTRHGTI-MRXNPFEDSA-N 444.922 5.109 30 10 IKEE CCCCN1C(=O)/C(=C/c2ccc(Br)cc2)S/C1=N\c1ccc(OC)cc1 96402052 BNEQDWCHNPCVRI-IVTNFPRSSA-N 445.382 5.862 30 10 IKEE CCCCCCCOc1cccc(NCC(=O)Nc2cccc(NC(=O)CCC)c2)c1 100090150 LVWCLZSCWPKIKH-UHFFFAOYSA-N 425.573 5.825 30 10 IKEE Cc1c(OC(=O)c2ccccc2F)ccc2c1O/C(=C\c1cn(C)c3ccccc13)C2=O 103024960 RZDOLDJTKJQRIO-QRVIBDJDSA-N 427.431 5.461 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2c2cccc(C)c2)c1 169930468 JZWJWLKOZNABTJ-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCO4)[C@H]2c2cccc(C)c2)cc1 169967923 KHYBMMOVELGTQP-DEOSSOPVSA-N 441.483 5.069 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(OC(C)C)c2)c1 169981401 KJRFLEJANLXMPJ-DEOSSOPVSA-N 433.548 5.612 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2ccccn2)ccc1F 169994527 MYJZOVVCPGGVIO-NRFANRHFSA-N 436.870 5.274 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccnc1 170009412 KBBVDYIVLPIMGV-HXUWFJFHSA-N 439.298 5.480 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccc(O)cc2)c1 170132085 IFMCDLGMEQTAPQ-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(O)cc2)cc1C 170132856 BWZSMVJUPSMSGY-XMMPIXPASA-N 443.499 5.272 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2cccnc2)cc1C 170187015 JZPWMOCXVJXARU-VWLOTQADSA-N 438.527 5.360 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2cccnc2)c1C 170187774 SGUCHFMWRDWMEL-VWLOTQADSA-N 434.495 5.635 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccncc2)cc1C 170200572 MBQJKQVYHUMOHT-XMMPIXPASA-N 442.515 5.107 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(OCC)cc2)cc1 170214744 GWDUKQCXTDAASO-HSZRJFAPSA-N 435.520 5.005 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCC)cc1 170216169 UFMDSCRYHMSXER-VWLOTQADSA-N 443.543 6.007 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@H]1c1ccc(C(C)C)cc1 170245365 VUCAKXFESRFKEU-XMMPIXPASA-N 435.564 5.814 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@H]1c1ccc(C(C)C)cc1 170245426 SGIINBYWJRYUHU-XMMPIXPASA-N 449.591 6.104 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cc(C)c(OC)cc3C)=C(O)C(=O)N2C2CCCCC2)cc1 170266765 VUOSODYRSNBRSV-VWLOTQADSA-N 447.575 5.785 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccco2)c1 170278981 NDWVGYSLNJAPHG-HSZRJFAPSA-N 447.487 5.248 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(OC)ccc3Cl)[C@@H]2c2ccco2)cc1 170283370 MZPWMIQCMDRNHB-NRFANRHFSA-N 437.879 5.287 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(Cl)cc2)o1 170303162 OGRQEVQLQAYGNV-LJQANCHMSA-N 428.271 5.678 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccc(OC)c2)c1 170329346 SKCUNTUWUGYILM-QFIPXVFZSA-N 449.528 5.328 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(N(C)C)cc2)cc1 170378472 JITXRLIRMCTQGK-QHCPKHFHSA-N 430.504 5.252 30 10 IKEE O=C1CSC(=NN=Cc2ccccc2Cl)N1c1cc(C(F)(F)F)ccc1Cl 254595859 PHRZYKPHQMOAKZ-UHFFFAOYSA-N 432.254 5.482 30 10 IKEE O=c1oc2ccc3ccccc3c2cc1-c1csc(NN=Cc2ccc([N+](=O)[O-])cc2)n1 254865562 GLRDPQZDDBSERX-UHFFFAOYSA-N 442.456 5.424 30 10 IKEE CN(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(OCc3ccccc3)cc2)cc1 254881119 DXLZMYFMUFHSPF-UHFFFAOYSA-N 429.549 5.135 30 10 IKEE CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@H]4[C@]3(C)CC[C@H]3C(C)(C)C(=O)CC[C@]34C)[C@H]2C1 256606795 XQIVDOSRZQSWFL-JUONUEKMSA-N 438.696 7.556 30 10 IKEE biogenic CCCOc1c(Br)cc(Br)cc1/C=C\B1OC(C)(C)C(C)(C)O1 396652563 KRDNXPRLPQZOOQ-FPLPWBNLSA-N 445.988 5.645 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2ccc(OCc3ccccc3)cc2)[C@@H]1c1ccco1 526610055 VMQNQLVWINQGNG-SANMLTNESA-N 448.478 5.787 30 10 IKEE CC(C)c1ccc(NC2=C(SCc3ccco3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 526645643 RJAHESVDLRSYAH-UHFFFAOYSA-N 443.528 5.405 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(N(C)C)cc1 526709681 WCTWOIUAOFZXFG-HSZRJFAPSA-N 446.934 5.497 30 10 IKEE CCOc1cc(/C=N\n2c(CC)nnc2SCc2ccc(C)cc2)cc(Cl)c1OC 526804052 DIKCAIPJAWTUHD-CFRMEGHHSA-N 444.988 5.384 30 10 IKEE Cc1cccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccc(Cl)cc2)c1 526808813 SMOCEPIBCVKEIN-QQXSKIMKSA-N 432.980 6.005 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1ccc(Cl)cc1Cl 526811848 VEVLQDFQBYEHSB-MXAYSNPKSA-N 447.435 6.719 30 10 IKEE Oc1cccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2cccc(Cl)c2)c1 526812658 GOOVGNHOYZYXMW-QQXSKIMKSA-N 448.979 5.597 30 10 IKEE Cc1[nH]c2ccccc2c1/C=N\n1c(C)nnc1SCc1c(Cl)cccc1Cl 526814640 OYJQMCZZQLKGKN-RMORIDSASA-N 430.364 5.858 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1ccc(C(=O)O)cc1 526824034 HCSQLNWFVYMHKU-YVNNLAQVSA-N 435.336 5.020 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1ccc(CC)cc1 526824382 XGXRMOMWNVXVRC-QFEZKATASA-N 447.435 6.664 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)N[C@H](C)c3ccccc3)C2)c1 585933493 VNLJOEUOLWQZRF-YKSBVNFPSA-N 448.611 5.189 30 10 IKEE CCOc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)Cc2ccccc2Cl)cc1 586150795 WUXHIQFVLMBLTP-UHFFFAOYSA-N 440.952 5.001 30 10 IKEE COc1nsc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)c1Br 690154100 UZSNMHSJWIWBLM-GFCCVEGCSA-N 442.310 5.060 30 10 IKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C#N)c1ncc(Br)cc1Br 698396923 HYTMHCXRIUQVKN-MFKMUULPSA-N 447.171 5.207 30 10 IKEE CCCCCCCCCCC(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 702532278 PXBTZMWGNKADOP-HSZRJFAPSA-N 432.649 6.112 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H]1C(C)(C)[C@@]2(C#N)N(C(=O)OC(C)(C)C)C1CCC1 712275109 KDBRGRCHHPCOSL-GGUMNFRJSA-N 433.593 5.094 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@H](C#N)c1cccc(Cl)c1Br 719682861 DTKDUTUZGQBREA-QGZVFWFLSA-N 441.797 6.627 30 10 IKEE CCC(C)=NNc1nc2cc(C)c(NC(=O)c3cc(Cl)ccc3Cl)c(C)c2s1 1081377935 CZHPWYZMAGTELT-UHFFFAOYSA-N 435.380 6.670 30 10 IKEE C[C@@H]1CC(=Nc2ccc(F)cc2)c2cc(F)ccc2N1C(=O)c1ccc([N+](=O)[O-])c(F)c1 1088689415 BXZDPDBSYHBBNW-CYBMUJFWSA-N 439.393 5.572 30 10 IKEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(Br)cnc2O)cc1Cl 1625562693 AKULWMBHEAIEMD-QGZVFWFLSA-N 442.700 5.111 30 10 IKEE CN1C(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)SC1=Nc1cccnc1 1772731588 OCMIFFRBHSMYSY-PEODKBGFSA-N 435.936 5.548 30 10 IKEE Cc1ccc(/C=C/C(=O)Oc2cccc3c(NC(=O)c4cccc(C#N)c4)cccc23)cc1 1858929875 HHPGWUDVGUGPKS-FOCLMDBBSA-N 432.479 5.891 30 10 IKEE C[C@@H](NC(=O)Oc1cccc2c(NC(=O)c3cccc(C#N)c3)cccc12)c1ccccc1 1858944656 LDJMQVFGRNVYTN-GOSISDBHSA-N 435.483 5.813 30 10 IKEE CCc1ccc(-c2cc(C(=O)Nc3ccccc3C#N)nn2Cc2cccc(Cl)c2)cc1 1859400238 HBVKOUQRFKPRGD-UHFFFAOYSA-N 440.934 5.938 30 10 IKEE N#Cc1c(Nc2ccc(-c3csc(-c4ccc(Cl)cc4)n3)cc2)ncc2c1CCCC2 1859862522 IDZJEQDFAWRQOI-UHFFFAOYSA-N 442.975 7.020 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(CCCC)cc3)=C(O)C(=O)N2CCC)cc1 1862395269 WNBUPBWVLPDFLT-VWLOTQADSA-N 449.591 6.196 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(C(C)(C)C)cc1 1862420455 LSZDJKSQZRGFCL-QKKBWIMNSA-N 427.491 5.639 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccccc1[N+](=O)[O-] 1862448569 QEBJETPIJVLZDI-HXUWFJFHSA-N 442.899 5.407 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(Br)c1 1862452440 CEDDQTZRIADIPJ-GOSISDBHSA-N 448.744 5.481 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862471498 NJLQQYUSILQABL-IBGZPJMESA-N 442.353 5.345 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862486954 OPWVPWKRTAWUTO-CJFMBICVSA-N 425.528 5.951 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(C)cc1 1862487171 USWIBFJSGWKFGJ-VWLOTQADSA-N 433.592 6.551 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccccc2C)c1 1862490230 QIUQEGIRAMARNQ-NBGIEHNGSA-N 425.528 5.951 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCc2ccc(F)cc2)cc1 1862507015 CWFKNQWWHIRDCE-XMMPIXPASA-N 447.481 5.403 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc(O)cc2)cc1 1862515088 OZTRMOQAQDNEQJ-BSDZUQITSA-N 449.547 5.338 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccccc1C 1862534967 ZBCVXXVYCPKQPK-VWLOTQADSA-N 433.592 6.496 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1c(F)cccc1Cl 1862584890 JXOYMFWWGWQZRX-KRWDZBQOSA-N 442.701 5.774 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862666414 DBRZBRBEEWVOCZ-DEOSSOPVSA-N 433.592 6.342 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C2CCCCC2)cc1 1862678912 XSXZBKTXVNDZIU-HSZRJFAPSA-N 435.539 6.034 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc2ccccc12 1862692839 VFCXNIFHUWCYGH-XMMPIXPASA-N 429.516 5.617 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C34CC5CC(CC(C5)C3)C4)[C@@H]2c2ccccc2)c1 1862699727 XDSUMPCKRKFAED-RZNVFEIWSA-N 443.543 5.242 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc3cc[nH]c3c2)c1 1862701373 CNAFGPOSQVWSID-QFIPXVFZSA-N 444.512 5.017 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1Cl 1862712617 VTIWVMGEPRPXTR-QHCPKHFHSA-N 433.935 6.262 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(F)cc3Cl)C2=O)cc1C 1862883239 CUNZEESCUBPKAP-UHFFFAOYSA-N 445.881 5.364 30 10 IKEE CCCCCCCCN1C(=O)C(NCCc2ccc(C)cc2)=C(c2ccc(F)cc2)C1=O 1863508061 RTLNYNMJUYGJDK-UHFFFAOYSA-N 436.571 5.407 30 10 IKEE C[C@H]1Cc2ccccc2N(c2cc(Nc3cccc(C#N)c3)nc(Cc3ccccc3)n2)C1 1868200869 HPDBAMXVJPUIEA-FQEVSTJZSA-N 431.543 6.013 30 10 IKEE C[C@H]1CN(c2cc(Nc3ccccc3C#N)nc(C(C)(C)C)n2)C[C@@H](c2ccc(F)cc2)O1 1868350431 JLQRTQBISGSZCK-JTSKRJEESA-N 445.542 5.495 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](CCC)NC(=O)[C@H](c1ccc(Cl)c(Cl)c1)C(C)C 1868866425 WJMYIGGCZSSKRH-PMACEKPBSA-N 425.400 5.219 30 10 IKEE C=CCn1cc(OCCc2ccccc2)c(=O)cc1CSc1nc2ccccc2s1 1870191733 QXYDVAHYDPLVJN-UHFFFAOYSA-N 434.586 5.558 30 10 IKEE CCCn1cc(OCc2ccc(C)cc2)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870216375 CNCCDMMCKSKCPT-UHFFFAOYSA-N 447.604 5.630 30 10 IKEE C#CCOc1cn(CCc2ccc(F)cc2)c(CSc2ccc(Cl)cc2)cc1=O 1870300867 ZHWWOMYFXILQIL-UHFFFAOYSA-N 427.928 5.188 30 10 IKEE CCCCCCCCn1cc(OCCCCOc2cccc(C)c2)c(=O)cc1CN(C)C 1870315659 NWXNAOOJNOSTCZ-UHFFFAOYSA-N 442.644 5.817 30 10 IKEE C=CCOc1cn(Cc2ccc(F)cc2)c(CN2CCC(Cc3ccccc3)CC2)cc1=O 1870386444 PMPWGIJYVMEPJW-UHFFFAOYSA-N 446.566 5.055 30 10 IKEE CCCCCCCCn1cc(OCCCOc2ccccc2)c(=O)cc1CN(CC)CC 1870634640 LLQHHHOPECJBNK-UHFFFAOYSA-N 442.644 5.899 30 10 IKEE CCCCCCCCn1cc(OCCOc2ccc(C)cc2)c(=O)cc1CN(CC)CC 1870775048 MVIXRMILFXZYFU-UHFFFAOYSA-N 442.644 5.817 30 10 IKEE C=CCOc1cn(CCc2ccc(F)cc2)c(CNc2ccc(C)c(Cl)c2)cc1=O 1870809426 BURUNMAOKIINPW-UHFFFAOYSA-N 426.919 5.369 30 10 IKEE C=CCOc1cn(Cc2ccc(OC)cc2)c(CNc2ccc(C(F)(F)F)cc2)cc1=O 1870813436 LBIDCHDQVSPXRE-UHFFFAOYSA-N 444.453 5.101 30 10 IKEE C=CCOc1cn(Cc2ccc(Cl)cc2)c(CNc2cccc(Cl)c2C)cc1=O 1870813572 QRABIWXUHDXYSP-UHFFFAOYSA-N 429.347 5.689 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)c(Cl)c2)c(=O)cc1CNc1ccc(C)cc1C 1870826199 RMIXVYPURLRSQF-UHFFFAOYSA-N 443.374 6.149 30 10 IKEE CCCCCCCOc1cn(C[C@H]2CCCO2)c(CNc2cccc(Cl)c2)cc1=O 1870833705 QDRRRTRJXGFQBY-JOCHJYFZSA-N 432.992 5.642 30 10 IKEE CCCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(-c2ccccc2)cc1)C3=O 1871347082 XBLWYJGCHYJQHN-ONUIUJJFSA-N 439.555 6.620 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3c(ccc4c3CN(CCCCN3CCCC3)CO4)C2=O)cc1 1871348314 DHAIMQBZIBUXPF-ONUIUJJFSA-N 446.591 5.454 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1ccc2c(c1)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 1871368701 OTEXQDBXPAZDRM-XKZIYDEJSA-N 449.846 5.403 30 10 IKEE O=C(Cc1ccc(Cl)c(Cl)c1)Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O 1871376710 FCLDZHXDTDIIQY-ODLFYWEKSA-N 431.296 5.819 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(-n5cccc5)cc4)cc(C)c3C2=O)cc1 1871384589 ZGSXVZKKGCTMFF-XYGWBWBKSA-N 435.479 5.930 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(N(C)C)cc2)C3=O)cc1 1871387408 TXHJCQLBURBWSC-JLPGSUDCSA-N 443.499 5.295 30 10 IKEE CCCCN(CCCC)Cc1c(O)cc(C)c2c1O/C(=C\c1ccc(Cl)cc1)C2=O 1871393401 KBTDEWAEPZJGHH-JCMHNJIXSA-N 427.972 6.372 30 10 IKEE CCCCN(CC)Cc1c(O)cc(C)c2c1O/C(=C\c1ccc(Br)cc1)C2=O 1871395791 NQZYXSAPYLEBQG-MOSHPQCFSA-N 444.369 5.701 30 10 IKEE CCCCCCCCCOc1cc2oc(C)c(-c3ccc(OC)cc3)c(=O)c2cc1OC 1871429386 FGHTWQJLFVKCEA-UHFFFAOYSA-N 438.564 6.915 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O)Nc1c(F)cccc1F 1871440452 PORSMHNXFUSASO-JMIUGGIZSA-N 441.817 5.252 30 10 IKEE Cc1c(OCCN2CCCCC2)ccc2c1O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 1871451401 SXPBTEZDPMKSSS-STZFKDTASA-N 432.347 5.783 30 10 IKEE CCCCCCCCN=c1nc(N2CCC[C@@H](C)C2)[nH]c(=Nc2ccc(F)c(Cl)c2)[nH]1 1871656071 NOQUEPMQTORASB-QGZVFWFLSA-N 449.018 5.260 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccc(OC)cc3)n2)cc1 1872768171 LKMLJVDDILWDPX-OAQYLSRUSA-N 436.533 5.253 30 10 IKEE COc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872770598 ZFKCMQQQIZDXDI-ZDUSSCGKSA-N 433.316 5.381 30 10 IKEE COc1ccc(C)cc1-c1csc([C@H](C#N)C(=O)Cc2ccc(Br)cc2)n1 1872771924 FWOYTBGWMCGZPK-QGZVFWFLSA-N 441.350 5.309 30 10 IKEE Cc1cccc(C)c1OCCCC(=O)[C@@H](C#N)c1nc(-c2ccc(C(C)(C)C)cc2)cs1 1872773729 WQRPBQUSAKQTEV-JOCHJYFZSA-N 446.616 6.760 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccc(C)cc3)n2)c(OC)c1 1872783850 JGWPNNJEXUKLSI-FQEVSTJZSA-N 436.533 5.171 30 10 IKEE COc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1 1872789333 GBHXSMMBIKZWIR-OAHLLOKOSA-N 432.954 5.569 30 10 IKEE CCCCCCCCCCNC(=O)c1cccc(COc2ccc(-c3ccccc3)cc2)c1 1872835301 VZYPUAYSCRFPGG-UHFFFAOYSA-N 443.631 7.803 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2OCCC)=C(c2cccnc2)C1=O 1873268794 FRJZFNXLXCOWKI-UHFFFAOYSA-N 435.568 5.423 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)Nc1cc(C)cc(C)c1)n2CC 1873629111 MBLIFIOTNRWERQ-UHFFFAOYSA-N 449.643 6.873 30 10 IKEE CCCCCCc1c(C)c2ccc(O[C@H](C)C(=O)Nc3ccc(C#N)cc3)c(C)c2oc1=O 1873864705 UTZDRCZLVNIMEZ-LJQANCHMSA-N 446.547 5.810 30 10 IKEE CCOc1ccc(/C=N/n2c(COc3cc(Cl)ccc3Cl)nnc2SC)cc1 1874205468 CKLBUDQPOLDHKN-SSDVNMTOSA-N 437.352 5.167 30 10 IKEE C=CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccc(Cl)cc1 1874218114 VKHKJRTWZXPUJW-WYMPLXKRSA-N 447.391 5.941 30 10 IKEE C=CCSc1nnc(COc2c(C)cccc2C)n1/N=C/c1cn(C)c2ccccc12 1874299996 CQEVAFDZYLAGMB-AFUMVMLFSA-N 431.565 5.126 30 10 IKEE CCCOc1ccccc1/C=N/n1c(CCc2cccc(OC)c2)nnc1SCCC 1874310865 RBYUTRJVXQVXNJ-XIEYBQDHSA-N 438.597 5.245 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1cccc(F)c1 1874379366 OCEWMFXKFHEGFQ-JFLMPSFJSA-N 434.515 5.630 30 10 IKEE COc1ccccc1/C=N/n1c(Cc2ccccc2)nnc1SCc1ccccc1Cl 1874418418 OJSDOVMJNYDTIX-WGOQTCKBSA-N 448.979 5.705 30 10 IKEE O=[N+]([O-])c1cccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2-c2ccccc2)c1 1874426383 FXDPVCLBXANONS-ZVHZXABRSA-N 433.468 5.167 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccccc1Cl 1874440698 OSRJRBLWJIDNFS-ZMOGYAJESA-N 433.408 6.348 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3ccccc3C)nnc2[C@H]2CCCO2)c1 1874443800 LHHNNCYDVTYLFH-NJRDNMGOSA-N 436.581 5.401 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1/N=C/c1ccc(OCC)c(OC)c1 1874476789 YAMUZJZXRQWNOX-MFKUBSTISA-N 442.560 5.342 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc2c(c1)OCCO2 1874479782 QWJJEGKTWMTDQH-ZVHZXABRSA-N 442.972 5.220 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(CC(C)C)nnc2SCc2ccc(Cl)c(Cl)c2)c1 1874492459 OIBRWEAEYUGTMM-BHGWPJFGSA-N 449.407 5.972 30 10 IKEE Cc1ccccc1CSc1nnc(C2CC2)n1/N=C/c1cccc(Br)c1 1874517596 BFCKQGRHZMNCGH-WSDLNYQXSA-N 427.371 5.401 30 10 IKEE CCCOC(=O)COc1c(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc(Cl)cc1OC 1874585984 PTBHZYFBRPZHIG-BQYQJAHWSA-N 446.927 5.202 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2c(F)cccc2Cl)cc1C 1874587877 JFIFCGOOVCWGHN-CSKARUKUSA-N 429.318 7.224 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2cc(C)cc(C)c2)cc1Cl 1874590439 AGVXLJVQVDIBOA-CSKARUKUSA-N 449.934 5.879 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccccc1OCC(=O)Nc1cccc(C)c1C 1874591997 MXHSRSGPPSBKAG-ACCUITESSA-N 449.934 5.879 30 10 IKEE Cc1ccc(NC(=O)COc2cccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)c2)cc1C 1874593000 MXQAZOFLHRHSDK-ZRDIBKRKSA-N 430.460 5.125 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OCc3ccc(C)cc3)c2)cc1OCCC 1874594467 LRYCJNAHTJNEGK-FYWRMAATSA-N 444.571 7.048 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(Cl)cc3Cl)cc2)cc1 1874605745 DBBVYIUSVWKYIS-AWNIVKPZSA-N 440.326 6.215 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OCC(=O)Nc1ccc(C)cc1 1874608654 ZZSLUVFXTOSLIO-UKTHLTGXSA-N 435.907 5.571 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)c1OCc1ccccc1Cl 1874617037 HBSSDDWLOROJLV-ZHACJKMWSA-N 441.354 7.094 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(OC)c1OCc1ccccc1C 1874620170 MPNWPFGDMHITHY-SDNWHVSQSA-N 430.519 6.655 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3Cl)c([N+](=O)[O-])c2)cc1 1874624366 ZTTRPIIKRSYQMA-NTUHNPAUSA-N 435.907 6.847 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OCC(=O)Nc1ccccc1F 1874625042 JGXWBMUNFMHKCK-RIYZIHGNSA-N 447.506 5.871 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(OC)c1OCC(=O)N(CC)CC 1874625138 NSXOAEIMQAMCOS-LFIBNONCSA-N 449.591 5.690 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OCc2c(F)cccc2Cl)cc1 1874633704 QMRRSPOHFMORCX-DHZHZOJOSA-N 445.317 6.925 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 1874638549 GBOJJRGGZNUNJG-MDNBWPLSSA-N 449.934 5.501 30 10 IKEE CCOc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 1874692352 BORGFVRYYQZRLM-SDNWHVSQSA-N 431.444 5.038 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2)cc1OC(=O)c1ccccc1-c1ccccc1 1874700097 BCRLYMHBLBBZFI-FBMGVBCBSA-N 434.491 6.478 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4ccccc4c3)cc2Cl)cc1 1875096630 XIFXZDLDJOLUSO-RIYZIHGNSA-N 426.899 6.917 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 1875109858 ILYMFUAEZYZTBV-VZUCSPMQSA-N 432.270 5.349 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccn2)c(Cl)c1)c1cccc(Br)c1 1875114737 STUUMCBHKSYKQU-VQHVLOKHSA-N 442.696 5.613 30 10 IKEE O=C(COc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 1875126479 KNFGFJBHSASYMG-WUXMJOGZSA-N 437.835 5.129 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)COCc1ccccc1 1875142864 XHQNNGFGOULSQL-UKTHLTGXSA-N 448.490 5.551 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)c1cccc2ccccc12 1875159244 JJHFFXGWGMPJHZ-OQLLNIDSSA-N 426.443 6.103 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)CCCSC 1875159552 FVZQJISRSDPRGF-IZZDOVSWSA-N 436.932 5.823 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1Cl 1875182380 AIHILYDHOOQCIA-PKNBQFBNSA-N 434.919 6.389 30 10 IKEE CC#CCCCC[C@H](NCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1885266055 VYNDGCDXPJUAFA-NDEPHWFRSA-N 441.615 7.079 30 10 IKEE O=C(Nc1ccc(C(F)(F)F)c(Cl)c1)c1ccc(C(F)(F)F)cc1C(F)(F)F 1889875869 CTWPXPLFEMIVHY-UHFFFAOYSA-N 435.673 6.649 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)[C@@H](c3ccccc3)C3CCCC3)ccc21 1890605153 BCDVDANHILFVFW-DEOSSOPVSA-N 432.564 5.537 30 10 IKEE C[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)CN1C(=O)OC(C)(C)C 1900091197 JYDHRCPVWKTHQY-IVZQSRNASA-N 435.952 5.373 30 10 IKEE C=C(COCc1ccccc1)[C@H](CCC1(NC(=O)OC(C)(C)C)CCCC1)NCCC 1922055579 SGSDWTHKDQHSGU-QHCPKHFHSA-N 430.633 5.745 30 10 IKEE C#CCCCC[C@H]1C[C@H](C(=O)O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21 1952392963 CAFVYSMEFWTHCK-UXHICEINSA-N 431.532 5.294 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@@H](C#N)[C@]1(C)CCCN1C(=O)OC(C)(C)C 2020802531 NSWFCUVYIDVAQL-MBSDFSHPSA-N 449.979 5.763 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2041703264 XTZYKFSCFQMRMT-HBNMSFMJSA-N 441.572 5.561 30 10 IKEE CCCN[C@]1(C#N)C[C@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)CC[C@H]1C 2055581782 BFQUESOGRMXNNW-RTVRTQBESA-N 432.656 5.071 30 10 IKEE C=C([C@H](N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(C)(C)C 2071357967 SFFBQMBDFCOHNG-RRPNLBNLSA-N 431.576 5.808 30 10 IKEE CC1(C)OB([C@@]23C[C@@H]2CCN(C(=O)c2cscc2OCc2ccccc2)C3)OC1(C)C 2073753688 DUQGZSWWSQFBTF-MHECFPHRSA-N 439.386 5.026 30 10 IKEE Cc1ccc([C@H](n2nc(C(C)C)c(C#N)c2I)C(C)(C)C)c(C)c1 2079016648 PVPOSKSLFFBZST-SFHVURJKSA-N 435.353 5.735 30 10 IKEE Cc1ccc([C@H](C2CCC2)n2nc(C3CCC3)c(C=NO)c2Br)c(F)c1F 2079904941 JNAHTSCDIQMCGA-IBGZPJMESA-N 438.316 5.697 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NC)c2cccc(Br)c2Cl)C1 2081416670 RRCABTITLIQYAL-INIZCTEOSA-N 429.786 5.224 30 10 IKEE C=CCCCCCCCCC(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2086280531 IJKWXBOPFYDITN-MHZLTWQESA-N 442.644 6.032 30 10 IKEE N#C[C@H](Nc1ccccc1Br)c1cc(Br)ccc1Br 2088096662 BBDQFJDJHHSRMJ-AWEZNQCLSA-N 444.952 5.651 30 10 IKEE Cc1cc(NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc(NC(=O)OC(C)(C)C)c1 2094844960 JLSJENQKJKGETM-UHFFFAOYSA-N 438.377 5.253 30 10 IKEE C=CCN(C[C@@H](Cc1cc(Cl)cc(Br)c1)NCCC)C(=O)OC(C)(C)C 2110496134 WHQBRPNAVDCYDP-GOSISDBHSA-N 445.829 5.436 30 10 IKEE CC[C@H](C)[C@@H]1CSC(=Nc2ccc(Cl)c(I)c2Cl)N1 2136530578 HVFFGYPCHKRAMN-XVKPBYJWSA-N 429.154 5.337 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1cccc2c1COC2 2156055898 UVTSHHQDHKJFMM-IBGZPJMESA-N 429.314 5.486 30 10 IKEE CCC[C@@]1(CNc2ccc(Br)cc2C#N)CCCN(C(=O)OC(C)(C)C)C1 2162414448 JXFMRZDHFSYODJ-NRFANRHFSA-N 436.394 5.550 30 10 IKEE N#Cc1cc(F)c(NC[C@@]23CCC[C@@H](CN2Cc2ccccc2)C3)cc1Br 2200729368 XLNYFTRCDHYQMC-VGSWGCGISA-N 428.349 5.317 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 2215216421 HMORRXXOQCUWJV-DEOSSOPVSA-N 433.593 5.240 30 10 IKEE CCCN[C@@H](C#Cc1ccc(OC)cc1)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 2221923584 UBEZGLDWODMXDS-DEOSSOPVSA-N 436.596 5.242 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)CC 2235720421 PITCJIJAZROPBH-AHRSYUTCSA-N 437.422 5.108 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)[C@H]2CCC[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C2 2249372454 XSKDFZUIASWZDV-UDLDYJPUSA-N 435.609 5.388 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NC)c2sc(Br)c(C)c2C)C1 2254701854 RAVHPVVOBXHAIR-HNNXBMFYSA-N 429.424 5.249 30 10 IKEE Cc1c(Br)sc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)c1C 2265882019 KTTSMVUFOOXPBP-OAHLLOKOSA-N 439.350 6.273 30 10 IKEE C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)cc1 2267196315 OZIQGBYNHMQUED-SZMVWBNQSA-N 444.381 5.083 30 10 IKEE C=CCCN(Cc1ccccc1)C(=O)c1ccc2cc(B3OC(C)(C)C(C)(C)O3)ccc2c1 2281831378 BXRUINYHMDNSSG-UHFFFAOYSA-N 441.380 5.358 30 10 IKEE C=CCN1C(=O)C(=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)C(C(=O)OC)=C1C 2294082122 DKPJMJARSVAHDB-UHFFFAOYSA-N 445.346 5.260 30 10 IKEE CCCC[C@H](NC(=O)OC(C)(C)C)[C@H](C#Cc1ccc(Br)cc1)NCCC 2296310182 GDFGJKIYXRESDI-PMACEKPBSA-N 437.422 5.252 30 10 IKEE CCCCCCCCCCCCN1C(=O)C(=CNc2ccccc2OC)SC1=S 2296842986 UKYYSFDAGWAHGW-UHFFFAOYSA-N 434.671 6.730 30 10 IKEE O=C(C=Cc1ccc2cccnc2c1)c1c(O)nc2ccc(Cl)cc2c1-c1ccccc1 2297298191 ZNIJKFJWEBVTNH-UHFFFAOYSA-N 436.898 6.705 30 10 IKEE CCN(CC)c1ccc(C=C2SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc1 2297560763 OGHFRPVDZHCOGX-UHFFFAOYSA-N 427.573 6.341 30 10 IKEE O=C(Oc1ccc(C=NNCc2ccc(Cl)cc2)cc1)c1ccc(Br)cc1 2297710218 GVWHIDQDRPKVMO-UHFFFAOYSA-N 443.728 5.445 30 10 IKEE SCCCCCCCOc1cc(Br)cc(I)c1 2301016312 ZBFGLZJUAJQNGR-UHFFFAOYSA-N 429.161 5.313 30 10 IKEE O=C(C=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cccc(NC(=O)c2cccs2)c1 2314523123 JUIKEFVNGPLHAF-UHFFFAOYSA-N 444.468 6.065 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CC2)c1OC 2320882105 STKBHABPCGGKJF-UHFFFAOYSA-N 428.945 5.001 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(C)n2N=Cc2c(Cl)cccc2Cl)c1 2321068759 ZTGUUDURANRNIO-UHFFFAOYSA-N 448.379 5.123 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCc4ccc(Cl)cc4Cl)c3C)C2=O)cc1 2321784495 ULBIROHTFDAWPW-UHFFFAOYSA-N 425.311 6.805 30 10 IKEE COc1ccc(CN2COc3c(cc4c(c3C)OC(=Cc3ccc(C)cc3)C4=O)C2)cc1 2322305255 GJFPMEUJDPRMFE-UHFFFAOYSA-N 427.500 5.280 30 10 IKEE Cc1ccccc1C=C1Oc2c(cc3c(c2C)OCN(Cc2ccc(Cl)cc2)C3)C1=O 2322305494 HCHJRVTWLAIHPI-UHFFFAOYSA-N 431.919 5.925 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2cccc(Cl)c2)cc1OC 2322350398 CIDIDSMRGBLPCF-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(C(C)C)cc1)C3=O)CN(CCc1cccs1)CO2 2322416674 PCHQQKFZGJCUGW-UHFFFAOYSA-N 445.584 6.191 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Cl)ccc1OCC(=O)Nc1cc(C)ccc1C 2322484038 GGRXOEBHHVKQSH-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE O=C(Cc1cccs1)Oc1ccc2c(c1)OC(=Cc1ccccc1Br)C2=O 2322860691 NKZSGIXWWUFHNW-UHFFFAOYSA-N 441.302 5.275 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)CCCOc4ccccc4C)cc(C)c3C2=O)c1 2323177008 HFHBWAQXAMBRPT-UHFFFAOYSA-N 442.511 5.993 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1OCC(=O)Nc1ccccc1 2323190308 RHQAFQBPUOQLTL-UHFFFAOYSA-N 443.543 5.906 30 10 IKEE Cc1c(OC(=O)c2ccc(Cl)c(Cl)c2)ccc2c1OC(=Cc1ccncc1)C2=O 2323259590 CEWXBZUUNXXRBR-UHFFFAOYSA-N 426.255 5.532 30 10 IKEE O=C(C=Cc1ccc(Cl)cc1)Oc1ccc2c(c1)OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2323318052 UVZXFWGFUAVRKL-UHFFFAOYSA-N 447.830 5.483 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cc(C)cc(C)c3)cc2)cc1OC 2323438180 BKYZLOOIBGLCLD-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE O=C(C=Cc1ccc(Cl)cc1Cl)Oc1ccc2c(c1)OC(=Cc1ccncc1)C2=O 2323460935 GBTNTWPVFXPBGJ-UHFFFAOYSA-N 438.266 5.623 30 10 IKEE Cc1cc(OC(=O)c2cccc(Oc3ccccc3)c2)cc2c1C(=O)C(=Cc1ccccn1)O2 2323561188 NJYHLDXRUVWOJD-UHFFFAOYSA-N 449.462 6.018 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCCCO)c(OCC)c2)cc1OCCC 2323749785 HGJOWCLTSQGADR-UHFFFAOYSA-N 442.552 5.320 30 10 IKEE COc1ccc(Br)cc1C=C1Oc2cc(OC(=O)CC(C)C)ccc2C1=O 2323766095 LIXQLWFLKVVLOL-UHFFFAOYSA-N 431.282 5.025 30 10 IKEE CCN(Cc1ccccc1)c1ccc(C=NNc2nc(-c3ccc(F)cc3)cs2)cc1 2323865411 YTOJCKFUFWYKJN-UHFFFAOYSA-N 430.552 6.422 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(OC)ccc2OC)ccc1OCc1cccc(F)c1 2324029809 XXRHGKBTFCXHSE-UHFFFAOYSA-N 436.479 5.717 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3Cl)c(Cl)c2)c(C)c1C 2324304909 RSSPYEOXMZXHDQ-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE Cc1c(OCc2ccc(C(=O)OC(C)C)cc2)ccc2c1OC(=Cc1cccs1)C2=O 2324606018 LEBQDQYWXUMOJK-UHFFFAOYSA-N 434.513 5.817 30 10 IKEE COC(=O)c1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc1 2324726188 XIACRVAHQGJIFE-HXUWFJFHSA-N 446.528 5.112 30 10 IKEE CCOc1ccccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccc(C)cc1)C2=O 2324896987 CABFQDJMEGFFPI-UHFFFAOYSA-N 443.499 5.336 30 10 IKEE CCCCCCOc1ccc(NC(=O)C(=O)C=Cc2ccc(Br)cc2)cc1 2325535962 FVUHAZUUFZXMEG-UHFFFAOYSA-N 430.342 5.629 30 10 IKEE O=C(COc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O)Nc1ccccc1Cl 2325717781 LEQXPLKBIQGNNB-UHFFFAOYSA-N 431.875 5.530 30 10 IKEE CC(C)c1ccccc1NC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1Cl)C2=O 2325725900 LTXQZHJNVGBZGP-UHFFFAOYSA-N 447.918 6.097 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1OC(=O)CCOc1ccccc1 2325729636 ZWSISAVYBTTZCD-UHFFFAOYSA-N 436.891 5.619 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cccc(C(F)(F)F)c1 2326357940 PIJGZHIJNBDWLY-UHFFFAOYSA-N 438.906 6.077 30 10 IKEE CSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccccc1OC(C)C 2326489406 QCHWNVSRRFIPSB-UHFFFAOYSA-N 430.961 5.210 30 10 IKEE C=CCOc1ccccc1C=Nn1c(COc2ccc(Cl)c(C)c2)nnc1SCC 2326514725 IZLYUKCJWURRBH-UHFFFAOYSA-N 442.972 5.378 30 10 IKEE Cc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccc(C#N)cc2)o1 2326684098 OPHPVPVSHSFTPE-UHFFFAOYSA-N 427.533 5.011 30 10 IKEE CCCCC1CCC(c2nnc(SCCCO)n2N=Cc2ccc(OCC)cc2)CC1 2328195080 XRGXPWCYMLUVFN-UHFFFAOYSA-N 444.645 5.498 30 10 IKEE C=C(C)CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1ccc(C(C)C)cc1 2328485982 IIVDEOYODQZXCJ-UHFFFAOYSA-N 435.553 5.451 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2OC)n1N=Cc1ccccc1Cl 2328689795 NQDQXYXMKOVRSA-UHFFFAOYSA-N 426.973 5.276 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(COc2ccc(C)c(C)c2)nnc1SC 2328767214 KJJYMKKLYKSAIL-UHFFFAOYSA-N 432.549 5.240 30 10 IKEE Clc1ccccc1CSc1nnc(CCc2cccs2)n1N=Cc1ccc[nH]1 2329665429 ZHDFXWCSPYZUCM-UHFFFAOYSA-N 427.986 5.281 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccccc2F)cc1 2329944261 NEPGVFMSSSYJBT-UHFFFAOYSA-N 434.515 5.630 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3)n2N=Cc2ccc(F)cc2F)c1 2330492525 DDQOGJYPPYRHNV-UHFFFAOYSA-N 448.542 5.938 30 10 IKEE CC(C)CC(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1Br 2330684613 KGUWPDQVPBAJCT-UHFFFAOYSA-N 441.365 6.176 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCc3cccc4ccccc34)nnc2[C@@H]2CCCO2)c1 2330979648 MUNRRGOMJBSZMK-QHCPKHFHSA-N 444.560 5.471 30 10 IKEE CCCOc1ccccc1C=Nn1c(CCOC)nnc1SCc1cccc(Cl)c1 2331305641 CBOSULGRUOSLST-UHFFFAOYSA-N 444.988 5.084 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1N=Cc1ccccc1Cl 2331325280 FKGQUZYLEMSLKJ-UHFFFAOYSA-N 441.988 5.196 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)c1ccncc1 2331347083 UAZJXJKRGCFGLN-UHFFFAOYSA-N 431.463 5.382 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cc(OC)c(OC(=O)C3CC3)c(OC)c2)cc1C(C)C 2331574982 KWYDUALHAXGVTO-UHFFFAOYSA-N 438.520 5.356 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccccc2C)c(Cl)c1 2331792930 CGPOKDRGISYCQI-UHFFFAOYSA-N 446.974 7.370 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)Cc2ccc(F)cc2F)cc1 2331871433 LUJQUJYKZICQRN-UHFFFAOYSA-N 442.845 5.671 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)C2CCCC2)c([N+](=O)[O-])c1 2331877075 VHRYNWDUOBQVEW-UHFFFAOYSA-N 429.856 5.249 30 10 IKEE COc1ccc(C=NNc2oc(-c3cccs3)nc2C#N)cc1OCc1ccccc1 2331938282 XNUWMLASLDDIGJ-UHFFFAOYSA-N 430.489 5.308 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Oc2nc3c(cc2C#N)CCC3)ccc1Br 2370353356 OQMYVZDSSMQTLY-UHFFFAOYSA-N 430.302 5.344 30 10 IKEE CC(C)(C)OC(=O)N[C@@]1(C)C[C@H]2CC[C@H]1C[C@H]2Nc1ccc(C#N)c(Br)c1 2380857809 YUIIDYXPKUQZAW-UOUNVNTQSA-N 434.378 5.205 30 10 IKEE Oc1ccccc1/C=N/c1ccc(OC(F)(F)C(F)F)c(/N=C/c2ccccc2O)c1 1951421 ZAAYHSHFYGQLBP-ZDMXEENZSA-N 432.373 5.836 30 10 IKEE CC1=C(C)/C(=N/c2cccc(C(F)(F)F)c2)C=C(Nc2cccc(C(F)(F)F)c2)C1=O 12558839 LFZJSFASMKAPFA-RDRPBHBLSA-N 438.371 6.712 30 10 IKEE Cc1ccc(C2=NN(c3ccc(/C=N/c4ccc(O)cc4)cc3)[C@@H](c3ccccc3)C2)cc1 15772850 WBBGVHAYFWCLBA-UPJRRAFRSA-N 431.539 6.807 30 10 IKEE CCc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2[N+](=O)[O-])cc1 21221851 WKNXZADKFZZMJR-PPHZAIPVSA-N 439.515 6.137 30 10 IKEE CCOc1ccccc1[C@H]1C2=C(C[C@H](c3ccc(OC)cc3)CC2=O)Nc2onc(C)c21 28052426 YMVQRNONNZPEBD-BXKMTCNYSA-N 430.504 5.349 30 10 IKEE O=C1NC(=N/c2ccc(F)cc2)/C(=C/c2ccc(-c3c(Cl)cccc3Cl)o2)S1 33568410 YCUSFJSIZISRCF-YVLHZVERSA-N 433.291 6.920 30 10 IKEE C=CCOc1ccc(C(=O)Nc2c(C(=O)c3ccc(OC)cc3)oc3ccccc23)cc1 33569209 VGTNSYUPIWKFMB-UHFFFAOYSA-N 427.456 5.490 30 10 IKEE CCCN(CCC)S(=O)(=O)c1cccc(-c2csc(N/N=C/c3cccs3)n2)c1 33960108 ZQPXPRIGALZEBY-KGENOOAVSA-N 448.639 5.128 30 10 IKEE C=C(C)C(=O)NCCCc1nc2ccccc2n1CCCCOc1ccc(C(C)(C)C)cc1 35144765 XXFOOIPRJQHFAK-UHFFFAOYSA-N 447.623 5.818 30 10 IKEE Cc1c(/N=N/c2ccc(Cl)c(Cl)c2)c(O)n(CCc2ccccc2)c(=O)c1C#N 39871371 LIENIJOYPNJWHT-OCEACIFDSA-N 427.291 5.699 30 10 IKEE CNC(=O)c1c(Nc2cccc(C)c2)sc2c(-c3ccc(C)cc3)c(C#N)c(N)nc12 39895259 KRHVLWRYYZBUEK-UHFFFAOYSA-N 427.533 5.137 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O3)CN(CCc1cccs1)CO2 41645925 OKSBVGWJIJKUNN-OYKKKHCWSA-N 445.584 6.191 30 10 IKEE CCCCOc1ccc(C(=O)/N=C(/NCc2ccncc2)Nc2cccc(C(C)C)c2)cc1 45940341 GDJWNHDFFADOST-UHFFFAOYSA-N 444.579 5.782 30 10 IKEE COc1ccc(/C=C2/S/C(=N/c3cccc(Cl)c3Cl)NC2=O)c2ccccc12 59433549 PRTGSTOLFKQYGR-WOJGMQOQSA-N 429.328 6.047 30 10 IKEE COc1ccc(Oc2ccc(C(F)(F)F)cc2/N=C/c2c(O)ccc3ccccc23)cc1 59516435 PMAQMVZFRBINRO-WKULSOCRSA-N 437.417 7.116 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccccc2OCCSc2ccc(Cl)cc2)SC1=S 103433851 VTJUTJBWERJEPM-XMHGGMMESA-N 448.034 5.898 30 10 IKEE S=C1N(c2ccccc2)C(=N\c2ccccc2)/C(=N/c2ccccc2)N1c1ccccc1 103710886 GXEVEEXXLMAMHC-RZEXXKRKSA-N 432.552 6.759 30 10 IKEE N#C[C@H](C(=O)c1cc(Br)ccc1Br)c1ccc(F)cc1Cl 160726607 UGWJVCHZJVXRGC-LBPRGKRZSA-N 431.486 5.494 30 10 IKEE COc1cc(/C=N\n2c(S)nnc2C2CCCCC2)ccc1OCc1ccccc1F 169910143 JCISSRANINMTFV-QFEZKATASA-N 440.544 5.223 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccc(O)cc2)cc1C 169960133 LSJZJUDOFYWARH-QFIPXVFZSA-N 433.891 5.445 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccc(O)cc2)cc1 169963373 JDHOFXGYQXCMDW-RUZDIDTESA-N 446.462 5.200 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2cccc(C)c2)c1 169971175 ARLPSEKGVDMUJC-QHCPKHFHSA-N 449.453 5.455 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccccc2)cc1 169974823 CHCSPJKGLDXBJZ-QHCPKHFHSA-N 445.946 6.420 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1cccs1)c1ccc(Cl)cc1 169985434 ITRWWVMYVGHEJB-GOSISDBHSA-N 430.312 5.838 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccncc1 170019214 LHQVAOGWIJDXAQ-JOCHJYFZSA-N 443.890 5.308 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccncc2)c1 170025584 WFEIZUBIGJEPTF-AREMUKBSSA-N 448.522 5.630 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)c1 170047529 XWDNSMXEEPXMJS-QFIPXVFZSA-N 433.891 5.522 30 10 IKEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3ccccc3)nc2c1 170055987 IYEGDVFDIIOCSQ-QHCPKHFHSA-N 449.466 5.400 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2cccs2)c1 170156186 ASAHXHYFRPMKTB-XMMPIXPASA-N 439.536 6.301 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2cccs2)cc1 170157051 BMQXGPWMUKVXPI-XMMPIXPASA-N 439.536 6.247 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccs2)cc1C(C)(C)C 170159073 KYPFWAWQPTZFHR-JOCHJYFZSA-N 447.556 5.837 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccs2)cc1C(C)C 170161470 WKMUGPHWZONIKB-QHCPKHFHSA-N 447.556 5.971 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cccs1 170164054 VOBCEJZTRSULHD-IBGZPJMESA-N 445.968 5.630 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C(C)(C)C)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)c(C)c1 170176214 VSNYDHJOWHEUEU-UHFFFAOYSA-N 449.554 5.869 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccncc2)cc1C 170202846 CRHGWJSLBJFWDL-DEOSSOPVSA-N 442.515 5.107 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccccc2)c1 170226756 SLJHOMPMFYUPLT-QFIPXVFZSA-N 433.891 5.522 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@H]1c1ccccc1C 170276602 MDLIMLVJACRBPR-HXUWFJFHSA-N 442.353 5.444 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccc(C)o2)cc1 170304871 IGQAVJPKGJLGEA-XMMPIXPASA-N 445.515 5.777 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2sccc2C)cc1 170315176 MPKYGHFQJYXWKA-NRFANRHFSA-N 429.497 5.894 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2OC)[C@H]1c1cccc(OCCC)c1 170323382 YWDGSDIRNUQAGL-HSZRJFAPSA-N 437.536 5.171 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(Cl)c(Cl)c2)c1 170388195 IGFPCAIHZHXHCG-IBGZPJMESA-N 444.339 6.146 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]1c1ccc(C(C)(C)C)cc1 170470180 BMCWCBVKDNNMNJ-QHCPKHFHSA-N 439.983 6.461 30 10 IKEE CCOc1ccc(OCCCC(=O)N2CCCSC2=Nc2ccc(C(C)=O)cc2)cc1 254855785 ZQLWMNLCHKTLRB-UHFFFAOYSA-N 440.565 5.100 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccc(OCC)c2)cc1 526516723 RBRPODFNTNMZGN-RUZDIDTESA-N 440.499 5.413 30 10 IKEE Cc1cccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(Sc3ccccc3)C2=O)c1C 526657142 IZJAUWBHICAEKT-UHFFFAOYSA-N 425.513 5.164 30 10 IKEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccc3ccccc23)cc1 526772034 ANIKZBPYTLMQAY-SANMLTNESA-N 448.522 5.689 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1/N=C\c1c(OCC)ccc2ccccc12 526803170 QRSCHIZQEHFGQA-YUMHPJSZSA-N 448.567 6.096 30 10 IKEE CCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1ccc(C(=O)O)cc1 526805989 ONYNHTKRZKZRIR-MYYYXRDXSA-N 436.581 5.401 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1ccc(OC)c([N+](=O)[O-])c1 526808237 FFGWSMVLAJILTI-UCQKPKSFSA-N 439.541 5.020 30 10 IKEE CCCOc1c(/C=N\n2c(C)nnc2SCc2cccc(Cl)c2)cccc1OC 526812496 YCMMGUSAHCPSIU-QRVIBDJDSA-N 430.961 5.212 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1ccccc1OCC 526815396 SOKPLPLOMWGRBK-CFRMEGHHSA-N 449.407 6.111 30 10 IKEE N#Cc1ccc(COCC2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)cc1 585222087 LXQPWFVGSPHQNB-UHFFFAOYSA-N 438.571 5.536 30 10 IKEE C=CCN(Cc1cccc(C(=O)OCC)c1)S(=O)(=O)c1ccc(CCCCCC)cc1 586179467 BZGUMMXJHMQBNH-UHFFFAOYSA-N 443.609 5.363 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(CC#N)c2ccc(Br)c(C)c2)cc1 586236685 TVZWCMLDMXWULO-UHFFFAOYSA-N 449.414 5.599 30 10 IKEE C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C(=O)Nc2scc(C(C)(C)C)c2C#N)cc1 586636380 PAXANEGSDVFUCZ-QRWLVFNGSA-N 438.597 5.870 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1ccc(F)c(F)c1F 693448917 MZZPRJWVIQNAHX-OAHLLOKOSA-N 441.247 5.873 30 10 IKEE COc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)cc1C 698458447 SLUAMSKVNQSVSD-GOSISDBHSA-N 431.330 5.773 30 10 IKEE Cc1cc(Cl)ccc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 698487724 GWWQHLBRKKYNQG-SFHVURJKSA-N 435.749 6.417 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCO[C@H](C(F)(F)F)C1 698488934 MRPWYWDDGSTWSI-YOEHRIQHSA-N 449.267 5.194 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H]1CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCC1 712372757 JHAFZBQOOHTQEX-UMEGOILYSA-N 447.620 5.628 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@]1(C#N)C[C@@H]2C[C@@H](CN2Cc2ccccc2)C1 716630156 NNNNUHPBJOLDLJ-SEIBCYHCSA-N 435.543 5.514 30 10 IKEE Cc1nc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)sc1Br 719321456 GKZVYDDIGNDJKV-ZDUSSCGKSA-N 442.766 5.874 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 724079764 RUJDPJXEUHKLDZ-UUOWRZLLSA-N 435.609 5.533 30 10 IKEE CCCOc1ccc(C=NN=Cc2ccc(OCCC)cc2OCCC)c(OCCC)c1 886014837 QWEXSOKEUZYFCL-UHFFFAOYSA-N 440.584 6.295 30 10 IKEE O=[N+]([O-])c1cccc(NN=C(CSc2nc3ccccc3s2)c2ccc(F)cc2)c1 1084391438 QEUGEEHPRKJPRH-UHFFFAOYSA-N 438.509 5.952 30 10 IKEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc(-c2ccccc2)nc1O 1299168216 NJAGNGSRMOIFJN-UHFFFAOYSA-N 425.282 5.034 30 10 IKEE Cc1ccc(C(=O)ON=C2C[C@@]3(C(=O)Nc4ccccc4Cl)CC[C@@]2(C)C3(C)C)cc1 1772722768 SQDZNBVYTQXUCD-JWQCQUIFSA-N 438.955 6.016 30 10 IKEE O=C1/C(=C\c2ccc(Br)o2)SC(=Nc2nccs2)N1c1ccccc1 1772735655 RFQDOMVQPXLCFB-VGMPPWMTSA-N 432.324 5.307 30 10 IKEE Clc1ccc(-c2csc(NN=Cc3cn(Cc4ccccc4)c4ccccc34)n2)cc1 1772743411 YTLJPKUTKQUXQU-UHFFFAOYSA-N 442.975 6.913 30 10 IKEE COc1c(Cl)ccc(Cl)c1-c1nc(C(=O)Nc2ccc(C#N)cc2)c2ccccn12 1858341866 LIYKRPUFOWDXMM-UHFFFAOYSA-N 437.286 5.441 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccc2O[C@H](C)C(=O)c2ccccc2)c1 1858751925 PKEUKRHUEUARDG-LJQANCHMSA-N 443.547 5.822 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CC2)cc1 1862438944 SASGXNYCMOGDSC-JOCHJYFZSA-N 439.939 5.650 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1cccc(F)c1 1862468771 XMTCYMWHQSJLAK-LJQANCHMSA-N 446.316 5.357 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCCC2)cc1 1862482046 IKDNHAQOWVUGBZ-RUZDIDTESA-N 446.591 5.752 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2c(Cl)cccc2Cl)c1 1862498760 PWRZCGKVIGBAKD-NRFANRHFSA-N 446.374 6.235 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2cccc3ccccc23)cc1 1862531536 PUHVPBQSDGBKSZ-HHHXNRCGSA-N 447.534 6.181 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc(Br)c1 1862657066 UKXBTFHKFJKMCA-NRFANRHFSA-N 448.316 5.367 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2cccc(OC)c2)c1 1862702495 DNLIWQAYPYKGIY-XMMPIXPASA-N 449.547 5.395 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1c(F)cccc1Cl 1862704890 LAMLZXBSWFNZPO-FQEVSTJZSA-N 431.891 5.256 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2C2CCCC2)cc1 1862707899 IFMNMIMUKKNJEB-XMMPIXPASA-N 449.547 5.395 30 10 IKEE O=C(O)c1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C2CCCC2)cc1 1862713999 BIUGWPRIAVWVTO-QHCPKHFHSA-N 441.483 5.059 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3cccc(Cl)c3C)C2=O)cc1C 1862870791 LUYNKAAIYOZNID-UHFFFAOYSA-N 441.918 5.534 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2F)C(=O)N(CCOC(C)C)C1=O 1863640500 WEXYYIQHQYDPIC-UHFFFAOYSA-N 432.580 5.061 30 10 IKEE CCCc1nc(Nc2cccc(C#N)c2)cc(N2CCS[C@@H](c3ccc(OC)cc3)C2)n1 1868378413 LNCQFUXOOQWDNQ-JOCHJYFZSA-N 445.592 5.347 30 10 IKEE CC(C)(C)c1ccc(C(=O)Nc2c(C#N)nnn2-c2ccc(Cc3ccccc3)cc2)cc1 1870158093 VADUKIPDZKPXND-UHFFFAOYSA-N 435.531 5.280 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(F)cc2)c(=O)cc1CSC(C)(C)C 1870169578 NHUJJBLGXJHBJY-UHFFFAOYSA-N 433.633 6.959 30 10 IKEE C=CCOc1cn(Cc2ccccc2)c(CSc2nc3ccccc3n2CCC)cc1=O 1870244564 WMCBFDGUTSSIGJ-UHFFFAOYSA-N 445.588 5.513 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccccc2)cn1Cc1ccc(Cl)cc1 1870469473 LFNQHDCLBSQXHI-UHFFFAOYSA-N 434.967 5.303 30 10 IKEE CCCCCCCCn1cc(OCc2cccc(C)c2)c(=O)cc1CN1CCC(O)CC1 1870620413 CQSVNCGZDVJBFA-UHFFFAOYSA-N 440.628 5.053 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)c(Cl)c2)c(=O)cc1CNc1cccc(C)c1C 1870826565 ZPRQEJDTBOHEME-UHFFFAOYSA-N 443.374 6.149 30 10 IKEE C=CCn1cc(OCc2ccccc2Cl)c(=O)cc1CNc1ccc(Cl)cc1C 1871241479 ATBVTRGHHQXORM-UHFFFAOYSA-N 429.347 5.841 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OC(=O)CCOc3ccccc3)cc(C)c2C1=O 1871383400 JIVJQCMTLOMSOJ-JLPGSUDCSA-N 444.483 5.384 30 10 IKEE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871388314 OSMNLXBLSAPPCP-QRVIBDJDSA-N 434.875 5.963 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(Cl)cc1)C2=O 1871459277 OWFAFKODYAQFKM-UCQKPKSFSA-N 447.918 5.845 30 10 IKEE CCCCCCCCN=c1nc(N(CC)CC)[nH]c(=Nc2cccc(C(F)(F)F)c2)[nH]1 1871497531 CICJJAKZNQDZAL-UHFFFAOYSA-N 438.542 5.096 30 10 IKEE COc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 1872759839 AVJHCZXPDNNCJA-HSZRJFAPSA-N 446.572 5.733 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3cccc4ccccc34)n2)cc1OC 1872761252 JHQSGZKBVYPYHY-HXUWFJFHSA-N 428.513 5.399 30 10 IKEE CC(C)c1ccc(O[C@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 1872772840 IGRRPPDPFJNVFR-UZLBHIALSA-N 448.544 5.348 30 10 IKEE CC(C)c1ccc(O[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1 1872789377 HIBJKABTTPFORX-XJKSGUPXSA-N 430.982 6.292 30 10 IKEE Sc1nnc(-c2ccco2)n1/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1873502788 VUELRAAKAWWKIN-FOKLQQMPSA-N 445.331 5.595 30 10 IKEE CCCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1/N=C/c1ccccn1 1874196200 XQWOPFLFMMIWIO-NLRVBDNBSA-N 437.613 5.367 30 10 IKEE C=CCSc1nnc(CCOc2ccccc2)n1/N=C/c1c(Cl)cccc1Cl 1874346972 PFLZRJUWPYKFSO-OEAKJJBVSA-N 433.364 5.367 30 10 IKEE CCSc1nnc(CCc2ccccc2C)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874363204 RESTXNFMICXMIY-PCLIKHOPSA-N 438.597 5.162 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2cccc3ccccc23)cc1 1874389322 MWYSVUULIANFJR-VUTHCHCSSA-N 448.595 6.505 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2[C@H]2CCCO2)c1 1874451229 UYYUOCJANHBROZ-BHSKHCGUSA-N 436.581 5.320 30 10 IKEE CSc1nnc(CC(C)C)n1/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1874486356 NIUXZPHNJDBTSC-WYMPLXKRSA-N 449.407 5.967 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2C2CCC2)cc1OC 1874495997 PPERSJXQVSQVSV-AFUMVMLFSA-N 436.581 5.354 30 10 IKEE CCOc1cc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CCC2)ccc1O 1874496909 KKJTZQXLDKNXAI-ZMOGYAJESA-N 442.972 5.478 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2ccccc2Cl)c1C 1874517953 SMECQKYHYGHENG-WYMPLXKRSA-N 439.972 5.039 30 10 IKEE C=C(C)COc1c(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc(Cl)cc1OC 1874584368 KQRMNNDJYFCMCK-CSKARUKUSA-N 428.956 6.506 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2c(OCC(=O)Nc3ccccc3)ccc3ccccc23)c(C)c1 1874590050 QNQAOBYPLVKBTJ-CCEZHUSRSA-N 449.550 6.679 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3ccc(Cl)cc3)c2)cc1OC 1874593957 KIRIMEHDQNGTMK-IZZDOVSWSA-N 438.907 5.841 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3ccc(Cl)c(Cl)c3)c2)cc1 1874594184 XCUDQUWLSBICDM-KPKJPENVSA-N 441.354 7.040 30 10 IKEE O=C(COc1cccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1)Nc1ccc(F)cc1 1874596116 GVWHFDUNGKVELL-NYYWCZLTSA-N 444.289 6.046 30 10 IKEE O=C(/C=C/c1cccc(OCc2c(F)cccc2Cl)c1)c1ccc(Cl)c(Cl)c1 1874596680 YFWLZOSUMGYGRJ-JXMROGBWSA-N 435.709 7.261 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3cccc(C)c3)c2)cc1Cl 1874599844 GVJNFOVJHBKTLB-PKNBQFBNSA-N 435.907 5.571 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Br)c1OCCCO 1874608398 MERKYOQHYGRQOY-CMDGGOBGSA-N 439.733 5.159 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 1874627836 YRUBIWYMEINOMZ-ONNFQVAWSA-N 425.387 5.357 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(C)cc3)c([N+](=O)[O-])c2)c(OC)c1 1874632331 CIBDOPXXSJSNGQ-XYOKQWHBSA-N 433.460 5.396 30 10 IKEE C=C(C)COc1c(Br)cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc1OC 1874637500 CPHSCYFXBVOVDC-BQYQJAHWSA-N 445.353 5.934 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OCC(=O)NC2CCCCC2)cc1 1874638741 PJHOKOFFBLRDGW-UKTHLTGXSA-N 427.928 5.072 30 10 IKEE CCCCCCCCC(=O)Oc1cccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c1 1874692901 CMNRDYXRXWWHLD-OQKWZONESA-N 440.583 7.906 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cc(OC)cc(OC)c3)c2)cc1 1874694208 RFLROEKYZLSERM-XYOKQWHBSA-N 446.499 5.390 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(F)c(F)c3F)c2)cc1OC 1874694363 ZFXJONPBMGHGLC-UXBLZVDNSA-N 442.389 5.236 30 10 IKEE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2cccc(/C=C/C(=O)c3ccccc3Cl)c2)cc1 1874697358 ZYPXDPSOGJHXFP-SKTWIKFTSA-N 448.946 6.732 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1OC(=O)c1cccc(C)c1 1874702466 ROZAUDDWIWFOJX-UXBLZVDNSA-N 441.310 6.426 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OC(=O)c1cc2ccccc2n1C 1874703053 XASKSUPUFUXLLR-GXDHUFHOSA-N 425.484 5.611 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2cc(C)ccc2C)cc1OC(=O)C1CC1 1874703331 KRVZSEYOGXUIRG-CMDGGOBGSA-N 429.310 5.286 30 10 IKEE CCOc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3c(C)cc(C)cc3C)c2)cc1 1874716302 MDIBAVJFJBCCMB-SDNWHVSQSA-N 428.528 6.055 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(OC)c1OC(=O)C(C)(C)C 1875095794 HJSFUNWIWDXPBN-NTCAYCPXSA-N 428.528 6.425 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)cc2)c1 1875097198 ZECJJAOIIBWSSJ-NTEUORMPSA-N 442.511 5.698 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3cccc(C)c3)c(OC)c2)c1 1875101369 MPXHCVUJXLUKMA-ZHACJKMWSA-N 436.891 5.781 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(Br)c2)cc(OC)c1OC(=O)C(C)C 1875117031 FNLVBHFDIRNUPZ-ZHACJKMWSA-N 443.337 5.644 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2OC)cc1 1875136165 AIORNIJOKKKEGK-OVCLIPMQSA-N 430.500 5.447 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2cccc(C)c2)c([N+](=O)[O-])c1 1875143361 WEWAGSRNCODETR-CSKARUKUSA-N 431.444 5.336 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1Cl 1875158432 WCTHXITUKSZRAF-WUXMJOGZSA-N 440.854 5.612 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc1OCC 1875165479 ZVNACJWPKNVTHB-ACCUITESSA-N 438.564 6.517 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)c1ccncc1 1875185137 IKFMRVNIGJJXNU-DHZHZOJOSA-N 443.543 6.202 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N1CCC[C@H](C)C1)n2CCC 1875205737 URVVMHVAEDJFJW-NRFANRHFSA-N 441.664 6.266 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cc(C)nc4c(C)cc(C)cc34)cc21 1890778104 VVLPXGHRKMAFLJ-UHFFFAOYSA-N 443.547 5.350 30 10 IKEE C[C@@H](C#N)c1cccc(C(=O)N2CCC(c3ccc4cc(-c5ccncc5)cnc4n3)CC2)c1 1891370649 NTZXKBKAPMWTAE-IBGZPJMESA-N 447.542 5.339 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)NCCC 1922064140 CCWAJNLWMYODIC-ISKFKSNPSA-N 430.633 5.555 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C12CC2 1925711286 WXJBCFMQWQJOQJ-QHCPKHFHSA-N 431.508 5.003 30 10 IKEE CC[C@@H](NC(=O)OC(C)(C)C)[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1cccc(OC)c1 1941060529 BZNIYROBEZDFIP-JPYJTQIMSA-N 433.549 5.022 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)CC1 1948926213 AXJMYSDZMYJZQG-HJOGWXRNSA-N 430.633 5.601 30 10 IKEE C=CCC[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(C)C)C(=O)O 1958048922 WAQOGHWFSRPYAP-IGKIAQTJSA-N 435.564 5.997 30 10 IKEE CC(C)(C)OC(=O)NCc1ccc([C@@](C)(C#N)N(CC2CC2)C(=O)OC(C)(C)C)cc1 2014212647 AEEWSQCIBHORBL-XMMPIXPASA-N 429.561 5.097 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCN(Cc3ccccc3)CC2)cc1 2042390206 DAWMQRFRIZHOEF-SANMLTNESA-N 435.568 5.385 30 10 IKEE Cc1ccc(Sc2ccc(C=CC(=O)c3cc(Cl)ccc3Cl)cc2[N+](=O)[O-])cc1 2053611575 OETBLCBTGSWXLS-UHFFFAOYSA-N 444.339 7.257 30 10 IKEE O=C(C1=CCCCCCC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071349461 PAMCAHWEZDMKEZ-UHFFFAOYSA-N 426.556 7.308 30 10 IKEE Cc1ccc([C@H](C(C)C)n2nc(C(F)F)c(/C=N/O)c2I)c(C)c1 2079099379 INVCRBLTMZXKPR-SJTXTDJHSA-N 447.267 5.096 30 10 IKEE CC(C)c1nn([C@H](c2ccc(C(F)(F)F)cc2F)C2(C)CC2)c(Br)c1C#N 2079878292 LNQVEWBIPPOODB-MRXNPFEDSA-N 444.270 6.188 30 10 IKEE CC[C@@H](c1ccc(C2CCC2)cc1)n1nc(C(C)(C)C)c(C#N)c1I 2079979588 RMXHQBSGZDBQBU-SFHVURJKSA-N 447.364 5.924 30 10 IKEE CC(C)[C@@H](c1ccc(C2CCC2)cc1)n1nc(C(C)(C)C)c(C=NO)c1Br 2079988485 ZKUOBAFQVZMORM-IBGZPJMESA-N 432.406 6.264 30 10 IKEE CC(C)c1ccc([C@@H](n2nc(C(F)F)c(C=NO)c2Br)C(C)(C)C)cc1 2080007748 QKDOOQSHQXZIKM-MRXNPFEDSA-N 428.321 6.150 30 10 IKEE N#Cc1c(C2CCCCC2)nn(-c2cc(F)c(F)cc2Br)c1Br 2080315619 AMHJWVUXZGDLSQ-UHFFFAOYSA-N 445.105 5.595 30 10 IKEE C=CC[C@](C)(CNC(=O)OC(C)(C)C)COc1cc(Br)c(Cl)cc1N 2082207407 PEQFVTLANAJBQG-GOSISDBHSA-N 433.774 5.171 30 10 IKEE COc1ccc(C)cc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2157900248 MLRUBVLDCJMONJ-SFHVURJKSA-N 431.330 5.773 30 10 IKEE C=CCC[C@@H](C)[C@@H](NCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2158326622 DLQYKWPWMGXRNU-NSISKUIASA-N 439.438 5.465 30 10 IKEE CCC[C@]1(CNc2ccc(Br)cc2C#N)CCCN(C(=O)OC(C)(C)C)C1 2162414449 JXFMRZDHFSYODJ-OAQYLSRUSA-N 436.394 5.550 30 10 IKEE C[C@H]1[C@H](Nc2cc(Br)cc(F)c2C#N)C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2163710070 BRKCGWBMHZPCAD-DLLRYNTMSA-N 438.341 5.048 30 10 IKEE CC(C)(C)OC(=O)NCCCN(CC1(C#N)CCCC1)c1cccc(Br)c1 2165169958 FYXODKNVGWSGLW-UHFFFAOYSA-N 436.394 5.254 30 10 IKEE Cc1ccc(CNCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1C#N 2191233393 HVLMMRODNUQSES-UHFFFAOYSA-N 448.566 6.315 30 10 IKEE C=CC1CC(CO)(N(C(=O)OCC2c3ccccc3-c3ccccc32)C2CCCCCC2)C1 2211074248 LDKWQLXHMXNYIW-UHFFFAOYSA-N 445.603 6.287 30 10 IKEE N#Cc1c(Cl)cccc1Nc1ccc(Br)cc1I 2223654628 PTXULFNRGMDOLZ-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE COc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)C#Cc1ccccc1Br 2237314873 HYIYYKYGMCUQFH-UHFFFAOYSA-N 430.298 5.039 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1sc(Br)c(C)c1C 2254707952 ZHUQCFRVXOGRTC-LSDHHAIUSA-N 431.440 5.638 30 10 IKEE C=CCN1C(=O)C(=Cc2cc(Cl)ccc2OCCOc2ccccc2C)SC1=S 2293163882 HTRUGMNHSWVHQG-UHFFFAOYSA-N 445.993 5.493 30 10 IKEE CCc1ccc(N=C2SC(=Cc3ccc(OCc4cccc(C)c4)cc3)C(=O)N2C)cc1 2293729982 APVAUAKEHDSZPH-UHFFFAOYSA-N 442.584 6.370 30 10 IKEE Cc1c(Cl)cccc1-c1ccc(C=C2SC(=Nc3cccc(Cl)c3)NC2=O)o1 2295494410 VTEIFAQAWSKGIB-UHFFFAOYSA-N 429.328 6.453 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)C(CC)(CC)NC(=O)OC(C)(C)C 2296220454 YIFVTTSBUVTAPC-IBGZPJMESA-N 437.422 5.252 30 10 IKEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccccc2F)cc1 2296927228 ZUYXSMSVFBPRLK-OAQYLSRUSA-N 444.487 5.370 30 10 IKEE C=CCOc1ccc(Br)cc1C=C1C(=O)N(c2ccc(Cl)cc2)N=C1C 2297104880 DODPBQFRKSZQEO-UHFFFAOYSA-N 431.717 5.473 30 10 IKEE Clc1cccc(N=CC=C(Nc2cccc(Cl)c2)c2ccc(Br)cc2)c1 2297534630 DMNSYNPOOVHBLO-UHFFFAOYSA-N 446.175 7.611 30 10 IKEE CSC1=NC(=Nc2c(C)cccc2C)C2(CCC(C(C)(C)C)CC2)N1c1ccc(C)cc1 2297731205 OHRZQEKNZNPWIJ-UHFFFAOYSA-N 447.692 7.856 30 10 IKEE CCc1ccc(N=C2NC(=O)C(=Cc3cc(Br)c(N4CCCC4)o3)S2)cc1 2313543523 HBNXLMZSTPNCMX-UHFFFAOYSA-N 446.370 5.096 30 10 IKEE CSC1(C#C[C@@H](O)c2ccc(NC(=O)OC(C)(C)C)c(Br)c2)CCC1 2314655978 XHMDSHFTQXRVGP-MRXNPFEDSA-N 426.376 5.119 30 10 IKEE COc1c(Br)cc(Br)cc1C=NNc1ccc(C)c(Cl)c1 2318413590 NWMKGLDCRWDSOM-UHFFFAOYSA-N 432.543 5.628 30 10 IKEE COc1cccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C2CC2)c1 2320867809 MADJYIYRXVPTGJ-UHFFFAOYSA-N 433.364 5.645 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2cccc(Cl)c2)nnc1C1CC1 2320886939 AJSBQOREBBUGKQ-UHFFFAOYSA-N 426.973 5.772 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)c1 2321309717 WSFHZGKOEKHGGS-VQTJNVASSA-N 441.572 5.418 30 10 IKEE Cc1cc(OCc2ccc(F)cc2)cc2c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O2 2321802224 XYXAZRBSFQNAJF-UHFFFAOYSA-N 429.274 6.636 30 10 IKEE CCCCC[C@H](CC)N1COc2ccc3c(c2C1)OC(=Cc1cn(C)c2ccccc12)C3=O 2322075893 VWDBDGZGQDPZBC-FQEVSTJZSA-N 444.575 6.305 30 10 IKEE COc1ccc(OC)c(C=C2Oc3c(cc4c(c3C)OCN(C3CCCCCC3)C4)C2=O)c1 2322359616 UTGYPASKCLRPFP-UHFFFAOYSA-N 449.547 5.503 30 10 IKEE CCN(CC)CCCCN1COc2c(cc3c(c2C)OC(=Cc2ccc(C)cc2)C3=O)C1 2322388068 DNMWBMFRZDKCBR-UHFFFAOYSA-N 434.580 5.194 30 10 IKEE C=C(C)COc1c(C=CC(=O)c2ccc(CCCC)cc2)cc(Br)cc1OC 2322401842 FPOVKYLQFMDSLF-UHFFFAOYSA-N 443.381 6.651 30 10 IKEE O=C(COc1ccc2ccccc2c1C=CC(=O)c1ccc(Cl)cc1)NCc1ccco1 2322528489 SBABIMZPPSHWGJ-UHFFFAOYSA-N 445.902 5.678 30 10 IKEE Cc1c(OC(=O)c2ccncc2)ccc2c1OC(=Cc1ccc(Cl)cc1Cl)C2=O 2322828391 AQDWYKUELKBIJN-UHFFFAOYSA-N 426.255 5.532 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccccc1OCc1cccc2ccccc12 2322926699 JKSIJWYBBMCIRZ-UHFFFAOYSA-N 442.942 7.285 30 10 IKEE CCCCCCCCCOc1ccc(C=NNc2cnnc(O)c2Cl)c(Cl)c1 2323101780 WUGBPLMZFCICHW-UHFFFAOYSA-N 425.360 6.064 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3ccccc3)c2)cc1 2323134708 PEMKKRNGQNHMQR-UHFFFAOYSA-N 431.488 5.008 30 10 IKEE CCOc1cc(C=Nn2c(CC)nnc2SC)ccc1OCc1cccc(Cl)c1 2323579504 JDKQLFARXDSWGQ-UHFFFAOYSA-N 430.961 5.076 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2Cl)cc(OC)c1OCc1cccc(C)c1 2323626930 JINGMEJVGURFTO-UHFFFAOYSA-N 432.947 6.861 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc(C)c2C1=O 2323702250 DILRCMBQQIOJDD-UHFFFAOYSA-N 449.846 5.700 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc3C2=O)cc1 2323812844 UIFYGELBEJUUEV-UHFFFAOYSA-N 430.456 5.318 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(CC)cc2)C3=O)cc1 2323829096 UZSBXJWYGNXGCI-UHFFFAOYSA-N 442.511 6.182 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2sccc2C)C3=O)c1 2323890179 QSCCQENZNAUEEY-UHFFFAOYSA-N 434.469 5.207 30 10 IKEE CCCN(CCC)Cc1c(O)cc(C)c2c1OC(=Cc1cn(C)c3ccc(OC)cc13)C2=O 2324097276 OULIZCMTDAGSRS-UHFFFAOYSA-N 448.563 5.439 30 10 IKEE Cc1c(Cl)cccc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1ccncc1)C2=O 2324434126 SMTXCYYZTMMIBN-MRXNPFEDSA-N 448.906 5.374 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2Cl)cc1 2324447188 JGUIFDVIWMJEPX-UHFFFAOYSA-N 447.962 6.433 30 10 IKEE COC(=O)c1ccc(C=C2Oc3cc(OCCOc4cccc(C)c4)cc(C)c3C2=O)cc1 2324537028 FNKOSKMOBXNQIA-UHFFFAOYSA-N 444.483 5.164 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1cccc(OCC)c1 2325572094 RDRPCRMAHLKQHN-UHFFFAOYSA-N 432.952 5.596 30 10 IKEE CCCNC(=O)COc1ccc2c(c1C)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2325666186 GLUNCRXYOBBCQS-UHFFFAOYSA-N 427.500 5.183 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)COc3ccc(C)cc3C)c2)cc1 2325718270 NTUWYFRHWRVHHN-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE COc1cccc(C(=O)Oc2cccc(C=CC(=O)c3cc(Cl)cc(C)c3OC)c2)c1 2325763957 RIWJNOLNQQPEBM-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE Cc1ccc(CCc2nnc(SCCCO)n2N=Cc2ccc(C(C)C)cc2)cc1C 2328969769 VMCGUMOMZGKLAW-UHFFFAOYSA-N 436.625 5.160 30 10 IKEE CCCCCOc1ccc(C=Nn2c(Cc3ccc(Cl)cc3)nnc2SCC)cc1 2329086706 FFBOFGAZJYIDBU-UHFFFAOYSA-N 443.016 6.086 30 10 IKEE COc1ccccc1C=Nn1c(CCc2cccs2)nnc1SCc1ccccc1C 2329635378 RKCXZXSGWMZPTH-UHFFFAOYSA-N 448.617 5.616 30 10 IKEE Fc1cccc(CSc2nnc(Cc3cccs3)n2N=Cc2cccc(Cl)c2)c1 2330358942 WJLXVHFQDWPVJR-UHFFFAOYSA-N 442.972 5.897 30 10 IKEE CCCCCCC(=O)Oc1c(OC)cc(C=CC(=O)c2ccc3ccccc3c2)cc1OC 2330658952 XZHWBGVWCTZOGK-UHFFFAOYSA-N 446.543 6.629 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)cc1 2330741179 QBQXCUFZULXKBC-UHFFFAOYSA-N 446.415 5.181 30 10 IKEE Cc1cccc(CSc2nnc([C@@H]3CCCO3)n2N=Cc2ccc(C(F)(F)F)cc2)c1 2330933968 HBBKAXGQSIGESI-IBGZPJMESA-N 446.498 5.631 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccccc3OC)cc2)cc1 2331051222 JYQVXGHGGCDLEJ-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cccc(Cl)c3)cc2[N+](=O)[O-])cc1 2331129112 NBMTXBRRZVJSDY-UHFFFAOYSA-N 435.863 5.926 30 10 IKEE O=C(COCc1ccccc1)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1Cl 2331143999 YOOKHYQTFMYALQ-UHFFFAOYSA-N 441.310 6.012 30 10 IKEE Fc1cccc(Cl)c1C=Nn1c(SCCc2ccccc2)nnc1-c1ccco1 2331211371 SCHGHADIVRUIPR-UHFFFAOYSA-N 426.904 5.548 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3sccc3C)c(Br)c2)cc1 2331271687 ZKGSAFWGUUNYCH-UHFFFAOYSA-N 441.346 6.243 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1ccc(OC)cc1 2331344561 WKWFDPAHKHHZTL-UHFFFAOYSA-N 434.463 5.657 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1N=Cc1ccccc1C 2331351732 TXPOIFSQHXFYGR-UHFFFAOYSA-N 435.597 5.159 30 10 IKEE CC(C)(C)c1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccccc1Cl 2331418164 NDGBWOJKQVBWDJ-UHFFFAOYSA-N 437.371 6.196 30 10 IKEE Cc1cccc(C=Nn2c(CC(C)C)nnc2SCC(=O)Nc2cccc(C)c2C)c1 2331430333 FUIXVTRZWHHYEP-UHFFFAOYSA-N 435.597 5.015 30 10 IKEE COc1cc(C=Nn2c(SCc3cccc(F)c3)nnc2C2CCC2)cc(Cl)c1O 2331500501 PYACUUHPXKHIBZ-UHFFFAOYSA-N 446.935 5.227 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2OCC)cc1 2331534537 XCWHKTTWRNLQDR-UHFFFAOYSA-N 448.490 5.667 30 10 IKEE Clc1ccccc1C=Nn1c(SCc2cccc3ccccc23)nnc1C1CCC1 2331535427 BDKZZKQTNOWONW-UHFFFAOYSA-N 432.980 6.527 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(C)c(C)c2)cc1 2331545631 JOHKFVYYWVJVPT-UHFFFAOYSA-N 442.555 6.725 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1 2331611990 OEBAUEKNELUTBR-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE CCCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1N=Cc1ccc(CC)cc1 2331632194 BHBRYUXOMFJRIO-UHFFFAOYSA-N 435.597 5.023 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)c1cccc(F)c1 2331668609 FIMSXGHSBJPCRK-UHFFFAOYSA-N 448.490 5.965 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(C)cc(Br)c1OC 2365241373 OYTWVSDLLMPSTN-ROUUACIJSA-N 441.410 5.276 30 10 IKEE COCc1ccc(CN(C(=O)OC(C)(C)C)[C@@H](C#N)c2ncc(SC)s2)s1 2368036313 OXOSLHLTAZQWHI-AWEZNQCLSA-N 425.601 5.075 30 10 IKEE CCCCCCCCc1ccc(-c2ccc(C3=N/C(=C/c4ccco4)C(=O)O3)cc2)cc1 3053059 MLVAAFTVDLTTCG-LHLOQNFPSA-N 427.544 7.194 30 10 IKEE COc1ccccc1-n1c(SCc2ccc(C#N)cc2)nnc1-c1ccccc1Cl 4144719 DCBKCPVLUXVXGS-UHFFFAOYSA-N 432.936 5.760 30 10 IKEE CCOc1ccc2c(c1)O/C(=C\c1ccc(OC(=O)c3ccccc3C)c(OC)c1)C2=O 8823768 BWMMNSXOKCKVTI-OYKKKHCWSA-N 430.456 5.238 30 10 IKEE Cc1ccccc1/N=C1\S[C@H](CC(=O)c2ccc(Cl)cc2)C(=O)N1c1ccccc1C 15055241 WVQPIUUPPLHDAO-YXTXPOHNSA-N 448.975 6.366 30 10 IKEE COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(O)c(OC)c2)c1 20883102 WTFNHJDEGNYJKL-CLYVBNDRSA-N 442.515 5.389 30 10 IKEE Cc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1 21251158 FVTWYVQOZAWIGG-UKILVPOCSA-N 437.539 5.578 30 10 IKEE C[C@@H]1Oc2ccccc2C=C1/C=C1/Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2C1=O 33490317 JONRCRQRQIPHPJ-MMTYYTLLSA-N 444.870 5.883 30 10 IKEE C=CCOc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccccn2)cc1 35514669 QFEWZFXUFKXQRF-JOCHJYFZSA-N 444.874 5.156 30 10 IKEE O=C1N/C(=N\N=C\c2ccc(-c3ccccc3)o2)S[C@H]1Cc1cc(Cl)ccc1Cl 39888006 AVUUCYJPVMXKBY-OGBFJMLUSA-N 444.343 5.418 30 10 IKEE CCn1cc(/C=C2\Oc3c(ccc4c3CN(Cc3cccs3)CO4)C2=O)c2ccccc21 41662029 AZHIGLRBYIMCRC-MSXFZWOLSA-N 442.540 5.691 30 10 IKEE COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)ccc1OC(C)=O 59199004 CFJBSYQIBCKZAK-CVKSISIWSA-N 448.544 5.564 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=N\Nc3nc(-c4ccc(C)cc4)cs3)cc2)cc1 59386941 MIYBXERQRGPRDE-YSMPRRRNSA-N 427.529 6.092 30 10 IKEE Cc1ccc(N/N=C/c2ccc(-c3ccc(Cl)c(C(=O)OCC#N)c3)o2)cc1Cl 59862529 QSMSUJLNVMIBMU-BRJLIKDPSA-N 428.275 5.688 30 10 IKEE C=CCn1c(CNc2cccc3ccccc23)nnc1S[C@@H](C)c1nnc(C2CCC2)o1 59877781 GZAMJBVNIKYLOC-INIZCTEOSA-N 446.580 5.733 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OC(=O)c4ccccc4C)cc(C)c3C2=O)cc1 62883566 YVSAHVFOVUFWAO-XYGWBWBKSA-N 441.527 5.985 30 10 IKEE CCCCCCCCCCCCOc1ccc2nc(SCCN3CCCCC3)[nH]c2c1 68588891 XRKKAQHAXBGZKO-UHFFFAOYSA-N 445.717 7.441 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1ccc(OCCC(C)C)cc1 100443855 RQINJJFGFQQKSC-UHFFFAOYSA-N 448.717 7.626 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S/C1=N/c1ccccn1 101124058 SZGGSKNLGZDPKZ-AGEIGWASSA-N 449.963 5.938 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)S/C1=N/c1cccnc1Cl 101126448 HCALKWMLEUWABF-KRDYEMGESA-N 444.343 6.272 30 10 IKEE CCCCCCCCCCCCCCCCCCn1c(C(C)(C)O)nc2ccccc21 101904437 FVGKTSCIHAGTKX-UHFFFAOYSA-N 428.705 8.525 30 10 IKEE COCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)S/C1=N\c1ccc2c(c1)CCC2 102924413 RYMBHTOVCQXSJZ-MZURAFEFSA-N 426.969 5.469 30 10 IKEE CCOc1cc(/C=N\n2cnnc2SCc2ccccc2)ccc1OCc1ccccc1 103739731 CWYGGVVOXBCACQ-YUMHPJSZSA-N 444.560 5.430 30 10 IKEE Cc1nnc(SCc2ccc(Br)cc2)n1/N=C\c1ccc(C(C)(C)C)cc1 135884555 ZIIBPZIZJVVYHE-QRVIBDJDSA-N 443.414 5.821 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2cccc(F)c2)cc1 169921611 AUQIXBSOIKDQCT-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccccc2C)c1 169936959 FQZMZWBDSDPOJG-XMMPIXPASA-N 427.500 5.403 30 10 IKEE CCCCCCOc1ccc(/C=N\Nc2nc(-c3ccc(OC)cc3)cs2)cc1OC 169941444 CDGQJNGCTDDZOH-XYGWBWBKSA-N 439.581 6.232 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2cccc(C)c2)c1 169966016 MUBBAZSNKFHBOF-XMMPIXPASA-N 443.499 5.185 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccc(C)c2)c1 169966096 BGVKHNOTEAMIMZ-XMMPIXPASA-N 439.467 5.533 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(Cl)cc1)c1c[nH]c2ccccc12 170059627 RDYJKBGYDYXWIA-JOCHJYFZSA-N 434.923 5.732 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2c[nH]c3ccccc23)c1 170074606 PYXUXCDSUAINPZ-OAQYLSRUSA-N 443.528 5.333 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(Cl)ccc3OC)[C@H]2c2ccccn2)cc1 170170752 YKLXVOWWIJRVJL-JOCHJYFZSA-N 448.906 5.089 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2cccnc2)c1C 170187826 ABVNOJUDICZSAC-XMMPIXPASA-N 442.515 5.269 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CCC)cc1 170215706 QIULQTMNUWHZDU-FQEVSTJZSA-N 448.346 5.771 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@@H]2c2ccccc2)c1 170224130 JVKUUFUTIOCBFI-VWLOTQADSA-N 441.527 5.874 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2ccccc2)cc1 170227819 JXSGEUTWUOTBDS-XMMPIXPASA-N 443.499 5.272 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(F)cc2)cc1C 170239639 ZLLJAIIVKJEEAA-QHCPKHFHSA-N 431.463 5.316 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccccc1F)c1ccc(Br)cc1 170253541 LSCKSLWVSPPUMN-LJQANCHMSA-N 444.300 5.109 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)c(Cl)c2)[C@H]1c1ccccc1C 170276694 LMFZXBMQCXNDOC-LJQANCHMSA-N 448.346 5.689 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccco2)c1 170280925 XXJPPIOFQBRDCX-QHCPKHFHSA-N 447.487 5.203 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2ccco2)c1 170290360 YAEANYBXRUFWFN-NRFANRHFSA-N 439.414 5.130 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2ccc(C)o2)cc1 170297773 PSSVUUWYDMGGAS-QHCPKHFHSA-N 447.487 5.168 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccc(C)o2)c1 170302039 UPTRSXOQJRDQTI-RUZDIDTESA-N 441.527 5.867 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2c2cccc(C)c2C)o1 170302401 VDIUNCFENFKIPD-VWLOTQADSA-N 441.527 5.867 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1c1ccccc1 170314941 MKIHONNECKNSLV-OAQYLSRUSA-N 433.529 5.627 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@@H]1c1sccc1C 170319177 PSVGKTVMVRMELK-QGZVFWFLSA-N 438.574 5.477 30 10 IKEE CN(C)c1ccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(C(C)(C)C)cc2)cc1 170443609 SVYWMWFVJQDUTJ-QFIPXVFZSA-N 434.580 5.565 30 10 IKEE CN1/C(=C2/SC(=Nc3ccccc3)N(CCc3ccccc3)C2=O)Sc2ccccc21 254463420 PTORMSCEGKEQOG-VUQCETKJSA-N 443.597 5.903 30 10 IKEE CCN1C(=O)/C(=C2/Sc3ccccc3N2C)SC1=Nc1ccc(C2CCCCC2)cc1 254874481 GZBNOXZWWFHUEE-VUQCETKJSA-N 449.645 6.728 30 10 IKEE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2cccc(C#N)c2)[C@@H]1c1ccc(C)cc1 526519939 CVDFQUZILSSIGY-XMMPIXPASA-N 440.499 5.331 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccc(OC)c(O)c1 526817767 AXSKAFKJINXOOC-MSXFZWOLSA-N 448.951 5.302 30 10 IKEE CCOc1c(Cl)cc(/C=N\n2cnnc2SCc2ccc(C#N)cc2)cc1Cl 526821964 BXAFIECXRMYYGU-VROXFSQNSA-N 432.336 5.030 30 10 IKEE Cc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2ccc(C(F)(F)F)cc2)cc1 586199896 ISAFIPJIXQCSOS-UHFFFAOYSA-N 430.451 5.281 30 10 IKEE N#Cc1cccc(CN(c2ccc(N3CCCCC3)cc2)S(=O)(=O)c2cccs2)c1 586215033 URAQIXTZRLQCGV-UHFFFAOYSA-N 437.590 5.006 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)Cc2ccc(Br)cc2)c1 698416278 CPUZPBLGNOWAKG-QFIPXVFZSA-N 429.358 6.024 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCCC12CCOCC2 698459264 WIIJBDYCWXOPCK-NRFANRHFSA-N 435.362 5.434 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@@H]1[C@@H]1CCCCN1C(=O)OC(C)(C)C 698836518 BPKCMVZEDIZFJJ-RNHFSVANSA-N 449.636 5.732 30 10 IKEE CC(C)CN(CC(C)C)S(=O)(=O)c1cc(N=Cc2ccco2)ccc1N1CCCCC1 1084053438 BKDBNSAWNLHHRX-UHFFFAOYSA-N 445.629 5.323 30 10 IKEE Clc1ccc(Sc2oc(C=Nc3ccc4ccccc4c3)cc2Br)cc1 1084241828 BCXQLEISXAMEIJ-UHFFFAOYSA-N 442.765 7.751 30 10 IKEE CCCCCCCN1C(=O)C[C@H](C(=O)Nc2cccc(C)c2)SC1=Nc1ccccc1 1084515939 PUXQZESGIRYIGC-JOCHJYFZSA-N 437.609 5.926 30 10 IKEE COc1ccc(-c2coc3c4c(ccc3c2=O)OC2=C(C4)C(=O)CC(C)(C)C2)cc1OC 1615247595 IWWLARZZHPVDTJ-UHFFFAOYSA-N 432.472 5.055 30 10 IKEE C=CCC1(CNC(=O)CCSCc2nc(O)c3c4c(sc3n2)CCCC4)CCCC1 1627417241 JEMQDXCFRLQDOY-UHFFFAOYSA-N 445.654 5.152 30 10 IKEE Cc1ccc(NC(=S)N/N=C\c2cn(-c3ccccc3F)nc2-c2ccc(C)cc2)cc1 1857810394 FSBDTYKHVCDXOD-DICXZTSXSA-N 443.551 5.616 30 10 IKEE N#Cc1cccc(NC(=O)Oc2ccc(CNC(=O)c3cccc(C(F)(F)F)c3)cc2)c1 1858911414 SEISIGGJDWPPKL-UHFFFAOYSA-N 439.393 5.118 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccc(C)c2)cc1 1862389354 DFAMMCIINMSSNM-RUZDIDTESA-N 440.543 5.511 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)cc1 1862401871 LSFXUQDUJZVKNR-CFRFINDLSA-N 447.575 5.723 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862450504 JFJSFNNEPZWPJL-VOJFVSQTSA-N 438.738 6.024 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(C)cc1 1862456590 VRBIDSKSXYGPLT-NRFANRHFSA-N 431.454 5.571 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccccc1F 1862457225 LINQAHDGYWYDHP-HXUWFJFHSA-N 435.417 5.402 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862478243 BWJDUOUNODRABH-VWLOTQADSA-N 447.575 6.085 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCCC2)cc1 1862482325 MWHXPMZKKTUEHA-VWLOTQADSA-N 447.575 6.085 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCCc2ccccc2)cc1 1862486935 OENMQLIXZVISOF-SANMLTNESA-N 439.555 5.823 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2cccc(F)c2)cc1 1862529220 CXQPCNUIGNKPHP-VWLOTQADSA-N 443.518 5.599 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccccc2F)cc1 1862530617 UQLGNQPFPYUSNO-MZNJEOGPSA-N 429.491 5.728 30 10 IKEE CCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1cccc(C)c1 1862589564 NWFGRHRSYYVUPW-RUZDIDTESA-N 449.591 6.420 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(N(C)C)cc1 1862616436 RLLKZKMTVRKPNM-DEOSSOPVSA-N 448.607 5.819 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2cccc(F)c2)cc1F 1862637857 NUUMCDNBCGOIIO-WTGRHJARSA-N 441.474 5.130 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1ccc(C(C)(C)C)cc1 1862644530 NJBMGXIDLFMJDV-JOCHJYFZSA-N 439.527 5.510 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccc1F 1862650261 RKIUWDVKOMHJOB-LAMXGVLKSA-N 443.518 6.136 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(F)cc2F)cc1 1862659975 CWAJKJMXFVFCGP-XMMPIXPASA-N 447.481 5.867 30 10 IKEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(F)cc2)cc1 1862674033 RLMBCAMEYSDODI-IQMFZBJNSA-N 449.453 5.313 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862676259 FJSFPQNPWXWZSP-XMMPIXPASA-N 445.490 5.311 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc2cc[nH]c2c1)c1ccc(F)cc1 1862677442 BUTYMXAUUHMFSH-NRFANRHFSA-N 432.476 5.147 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccccc2)cc1 1862712952 DMSZMEQSDGSSDA-AREMUKBSSA-N 433.507 5.927 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc2cc[nH]c2c1 1862739349 WQFVYOKAFGFKBV-QFIPXVFZSA-N 447.491 5.235 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(Cl)c(Cl)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862896538 SMYRAKZGKPPXGY-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cccc(Cl)c2)=C(c2cccs2)C1=O 1863471712 FTOREFWMKBCSAT-UHFFFAOYSA-N 445.028 6.734 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](CCCC)NC(=O)c1ccc(-c2cc3ccccc3[nH]2)cc1 1868911673 HVJRVKOORMFODF-DEOSSOPVSA-N 429.564 5.324 30 10 IKEE CCCCCCCCCCn1cc(OCCC)c(=O)cc1CNc1ccc2[nH]ncc2c1 1871106654 UGOZZPYWCGNVFI-UHFFFAOYSA-N 438.616 6.266 30 10 IKEE C=CCn1cc(OCC(=O)Nc2ccccc2)c(=O)cc1CNc1ccc(CCCC)cc1 1871195596 YGJOCKJPVKICNX-UHFFFAOYSA-N 445.563 5.007 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)cc2Cl)c(=O)cc1CNc1ccc(OC)cc1 1871249579 ZANNYGKIZCDYRX-UHFFFAOYSA-N 445.346 5.541 30 10 IKEE CCCCCCCCCCN=c1[nH]c(Nc2cc(NC(C)=O)ccc2C)ncc1[N+](=O)[O-] 1871311771 MNGMDUKEYDWJBT-UHFFFAOYSA-N 442.564 5.370 30 10 IKEE CCCCCCCCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1cccs1)C3=O 1871350349 BGLWGSNWZUXZQS-KQWNVCNZSA-N 439.621 6.965 30 10 IKEE COc1ccccc1/C=C1\Oc2c(ccc3c2CN(C24CC5CC(CC(C5)C2)C4)CO3)C1=O 1871353771 WEJMZVUOHSEWNC-GATIEOLUSA-N 443.543 5.432 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(F)cc1)C3=O)CN(Cc1cccc(Cl)c1)CO2 1871355837 ZCZXQGSGXHZMCQ-YVNNLAQVSA-N 435.882 5.756 30 10 IKEE CN(C)c1ccc(/C=C2\Oc3cc(OC(=O)CCCOc4ccccc4)ccc3C2=O)cc1 1871371272 NSQKFJAHESZASO-UQQQWYQISA-N 443.499 5.133 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OC(=O)c4cccc([N+](=O)[O-])c4C)c3C)C2=O)c1 1871373517 KRLWTCVQYCNJFD-XKZIYDEJSA-N 429.428 5.355 30 10 IKEE CCCOc1ccccc1/C=C/C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(C)o1)C2=O 1871376175 XHFZLCSFOLIRMR-PZZIGIJCSA-N 430.456 5.612 30 10 IKEE Cc1cc(OC(=O)c2cccc3ccccc23)cc2c1C(=O)/C(=C/c1ccc(Cl)cc1)O2 1871378045 SASDDBVXPVIZIM-OYKKKHCWSA-N 440.882 6.637 30 10 IKEE CCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871380039 SXYIAZOSVRLRDF-FUPWBYONSA-N 426.468 5.629 30 10 IKEE COc1ccc(OC)c(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2)C3=O)c1 1871380168 ACILCBXDEBRNEX-DHLMYGRGSA-N 442.467 5.247 30 10 IKEE Cc1cc(O)c(CN(C)C2CCCCC2)c2c1C(=O)/C(=C/c1ccc(Cl)cc1Cl)O2 1871393550 VBFQDBIPSUYQEF-NHDPSOOVSA-N 446.374 6.388 30 10 IKEE O=C1/C(=C/c2ccc(Cl)c(Cl)c2)Oc2cc(OCCOc3ccccc3)ccc21 1871398153 AOQPMJXNMASCLK-XKZIYDEJSA-N 427.283 6.067 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccc(C)cc4)ccc3C2=O)cc1 1871409109 XPTVURPNTUBTNB-AOBKZXEFSA-N 427.500 5.580 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccc(C)cc4C)ccc3C2=O)c1 1871411997 SWYMCJFBXGZHCD-ILRHRSLTSA-N 427.500 5.634 30 10 IKEE COc1ccc(OCCCOc2ccc3c(c2C)O/C(=C\c2ccccc2OC)C3=O)cc1 1871415505 FUXRWLBLALOOEC-UQQQWYQISA-N 446.499 5.476 30 10 IKEE CC(C)=C1Oc2cc(OCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc(C)c2C1=O 1871430611 LTTQSOBAQKOKTH-UHFFFAOYSA-N 439.817 5.554 30 10 IKEE CCc1cccc(CC)c1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(C)o1)C2=O 1871455323 MGBYLHCHJJWUQI-QRVIBDJDSA-N 445.515 5.655 30 10 IKEE Cc1cc(OCC(=O)Nc2cccc(Cl)c2Cl)cc2c1C(=O)/C(=C/c1ccco1)O2 1871458587 WAKRGCIKQQUAEU-NVMNQCDNSA-N 444.270 5.529 30 10 IKEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)CCC 1871845552 DEVPULPNJZQPDM-HSZRJFAPSA-N 444.597 5.060 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cc(C)ccc1C)[C@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872571163 DQHDPCMVOSVIKA-WZONZLPQSA-N 446.588 5.063 30 10 IKEE N#C[C@H](C(=O)c1ccc(-n2cccc2)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872759257 ILJKOLJTASBJCP-RUZDIDTESA-N 445.547 6.758 30 10 IKEE N#C[C@H](C(=O)Cc1ccc(Cl)c(Cl)c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1872759559 SFZNQDKAXNBAAU-CQSZACIVSA-N 432.288 5.444 30 10 IKEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3c(Cl)ccc(Cl)c3Cl)n2)c(C)c1 1872769483 SSWITRNHMJEFED-ZDUSSCGKSA-N 435.763 6.877 30 10 IKEE COc1cc(OC)c(-c2csc([C@@H](C#N)C(=O)c3ccc(N(C)C)cc3)n2)cc1Cl 1872782854 OIYPNIUMEQKYIS-INIZCTEOSA-N 441.940 5.037 30 10 IKEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)N[C@H](CC)CCCCC)cc2[nH]1 1872807764 DIMOVNWICUQEND-HXUWFJFHSA-N 435.568 5.795 30 10 IKEE CCCOc1ccc(/C=N/Nc2oc(Cc3cccc4ccccc34)nc2C#N)cc1OC 1873463732 OKMNQVHWYXXOPP-OGLMXYFKSA-N 440.503 5.534 30 10 IKEE CCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1cccc(OCc2ccccc2)c1 1873501502 ZSEWKVBGYHMLIY-JVWAILMASA-N 446.551 5.733 30 10 IKEE Cc1ccccc1/C=N/n1c(COc2ccccc2Cl)nnc1SCc1ccccc1 1874266639 HGPUNVVXZMFCRR-CVKSISIWSA-N 448.979 5.993 30 10 IKEE CCCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1cccc(OC)c1OC 1874284737 WCUQZKGWUOCGAW-BUVRLJJBSA-N 444.988 5.118 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3C)n2/N=C/c2ccccc2)c(C)c1 1874325239 FNJMKFQTCJQSQR-JVWAILMASA-N 442.588 5.957 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2ccccc2)cc1C 1874357552 NLDUHSPCFKXIFL-WPWMEQJKSA-N 426.589 5.969 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2F)n1/N=C/c1cccc(F)c1 1874362416 DKGAATZRFGNPSJ-LQKURTRISA-N 448.542 5.824 30 10 IKEE CCCSc1nnc(-c2ccccc2Cl)n1/N=C/c1cc(OC)c(OC)c(OC)c1 1874367435 BWBCJRJMEIOFGQ-YDZHTSKRSA-N 446.960 5.009 30 10 IKEE COc1ccc(/C=N/n2c(CCc3cccs3)nnc2SCCc2ccccc2)cc1 1874371402 XOOGNHSBTLLNQE-XIEYBQDHSA-N 448.617 5.350 30 10 IKEE Cc1ccccc1CSc1nnc(CC2CCCCC2)n1/N=C/c1ccc(F)cc1F 1874406371 NPNCPKLTFVZBKF-JFLMPSFJSA-N 440.563 6.162 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3)n2/N=C/c2ccc(O)c(O)c2)c1 1874418195 DMNGQYQCHYHWKE-CVKSISIWSA-N 444.560 5.071 30 10 IKEE Clc1ccccc1/C=N/n1c(SCc2cccc3ccccc23)nnc1C1CCC1 1874496236 BDKZZKQTNOWONW-CVKSISIWSA-N 432.980 6.527 30 10 IKEE C=C(C)CSc1nnc(C(C)C)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874513274 OTYSHEWMYUVQMP-DHRITJCHSA-N 441.000 6.184 30 10 IKEE Cc1ccc(COc2cccc(/C=N/n3c(S)nnc3[C@@H](C)c3ccccc3)c2)cc1 1874561406 PZULQYLSTIFLNA-JHKMYFMNSA-N 428.561 5.488 30 10 IKEE Cc1ccccc1CCc1nnc(S)n1/N=C/c1ccc(OCc2ccccc2F)cc1 1874562301 NEGMFLSDTLYVMS-JVWAILMASA-N 446.551 5.261 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(OC)c1OCc1ccc(F)cc1 1874620352 VQFWPPIITYUQHF-MDWZMJQESA-N 434.482 6.485 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(C)cc3)c([N+](=O)[O-])c2)c(C)c1C 1874626580 LWITUKONVAFARK-FMIVXFBMSA-N 431.488 6.004 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(F)c(F)c3F)c2)cc1C 1874696457 WYPKOZNIVIFWDO-UXBLZVDNSA-N 426.390 5.536 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1Cl 1874717002 UJDLGHNMLNVPAN-CSKARUKUSA-N 437.835 5.372 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc([N+](=O)[O-])c1OC(C)=O 1875078666 XCJXPMFFBPDEJN-NTEUORMPSA-N 431.444 5.482 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)C(C)(C)C)c(OCC)c2)cc1 1875106304 LWSTXICPFNQXKM-NTCAYCPXSA-N 442.983 6.929 30 10 IKEE Cc1ccc(C)c(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3Cl)cc2)c1C 1875111492 JGEROWPYXUWBAA-NTCAYCPXSA-N 434.919 6.146 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 1875125148 UMGNCFAQJOTEQZ-LREOWRDNSA-N 445.324 5.267 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2F)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 1875126320 AXJBUAPTAVYZSS-VZUCSPMQSA-N 425.799 5.503 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC(C)(C)C)c(Br)c2)cc1 1875130124 KKOPFMDRTAOZSQ-WUXMJOGZSA-N 445.353 6.086 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OC(C)=O)cc3)cc2)cc1 1875137229 CDEUEWCRVMEFLB-UBKPWBPPSA-N 444.483 5.516 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1ccc(F)c(F)c1 1875142811 VDHXDCVXBRLPLX-ONNFQVAWSA-N 440.417 5.926 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1OC 1875164324 DJQBSCOFFDJCKG-GZTJUZNOSA-N 430.500 6.479 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 1875179276 WSSYLYAKFYBITM-OVCLIPMQSA-N 442.555 6.725 30 10 IKEE CC1(C)OB([C@@]23C[C@@H]2CCN(C(=O)OCC2c4ccccc4-c4ccccc42)C3)OC1(C)C 1880081541 QYIKOPJIOZRGTF-XRHLQHRESA-N 445.368 5.494 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3nc(-c4cccs4)cs3)cc21 1891396025 NXMRTQRQTWPLTE-UHFFFAOYSA-N 439.562 5.062 30 10 IKEE N#Cc1cncc(C2=CCN(C(=O)c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)CC2)c1 1891416631 DIDWIOJRZKSFGM-UHFFFAOYSA-N 449.432 5.694 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(F)ccc1Br 1898381516 XRKKRKDFMBVZDS-QZTJIDSGSA-N 429.374 5.488 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H]1CC[C@H]2CCCC[C@H]2N1C(=O)OC(C)(C)C 1922114821 BPDWAEIYZSTBTK-NGSHPTGOSA-N 442.644 5.696 30 10 IKEE CC1(C)CN(C(=O)OC(C)(C)C)C[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C1 1922785888 RRNANCCITIAELX-QHCPKHFHSA-N 449.617 5.415 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@]1(C#N)CCC(C)(C)C[C@H]1CNC(=O)OC(C)(C)C 1927164490 GWDKOKFPJVJHFV-UUOWRZLLSA-N 437.625 5.493 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@H](NC(=O)OC(C)(C)C)C(C)C)c1 1941061810 OUCDWFSDRJDVSC-NTKDMRAZSA-N 431.577 5.568 30 10 IKEE CCC[C@@](C#N)(CNC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)c1ccc(OC)cc1 1944407122 CVBLNYTYWIHTIX-HSZRJFAPSA-N 433.549 5.024 30 10 IKEE CC(C)(C)OC(=O)NC1CC2(CC[C@@]2(C#N)N(C(=O)OC(C)(C)C)c2ccccc2)C1 2012276005 DYGLLVOWTNJXPB-KGMOOGKZSA-N 427.545 5.158 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@](C#N)(N(C(=O)OC(C)(C)C)c3ccc(F)cc3)C[C@H]2C1 2040979066 WRBRQUTXXSOZPX-CZKAHXPPSA-N 445.535 5.106 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(Br)ccc(Cl)c1F 2063093556 BRZMYBBOHPOWNC-CZUORRHYSA-N 435.765 5.362 30 10 IKEE C#CC[C@@H](C[C@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC)C1CC1 2076099354 PAYAWQVYQCUYPU-ISJGIBHGSA-N 442.644 5.294 30 10 IKEE CCc1nn([C@@H](c2ccc(C3CC3)cc2)C2CCC2)c(I)c1C#N 2079004367 QIPSBVLBIJJJQC-LJQANCHMSA-N 431.321 5.189 30 10 IKEE NCc1c(C(F)(F)F)nn([C@H](c2ccc(C(F)(F)F)c(F)c2)C2CCC2)c1Cl 2079848823 NRMWGDRFHGSUQN-ZDUSSCGKSA-N 429.767 5.561 30 10 IKEE Cc1cc(C)c([C@@H](C(C)C)n2nc(C3CC3)c(C#N)c2I)c(C)c1 2080006859 MLJWWXKIYMEDKR-LJQANCHMSA-N 433.337 5.407 30 10 IKEE Oc1c2c(nc3c(-c4ccc(C(F)(F)F)cc4F)c(C(F)(F)F)nn13)CCSC2 2081248346 VYGDQGWDFQGCAU-UHFFFAOYSA-N 437.340 5.068 30 10 IKEE Fc1c(-c2c(C(F)(F)F)nn3c(Cl)c4c(nc23)CSC4)cccc1C(F)(F)F 2081521868 LHENWCLSGBLGEB-UHFFFAOYSA-N 441.759 5.973 30 10 IKEE COC(=O)c1cnc2c(-c3cc(C(F)(F)F)ccc3F)c(C(F)(F)F)nn2c1Cl 2081526161 LXYDSOXPEWYXSX-UHFFFAOYSA-N 441.690 5.013 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCCCCC1(F)F 2096452883 NBIUZSFTIOWODV-GOSISDBHSA-N 429.305 6.052 30 10 IKEE C=CCN(CC[C@@H](Cc1cc(Cl)ccc1Br)NCC)C(=O)OC(C)(C)C 2099287369 JFAZIXYMPYGGFU-KRWDZBQOSA-N 445.829 5.436 30 10 IKEE CC[C@@]1(Nc2cc(Br)c(C#N)cc2F)CCCN(C(=O)OC(C)(C)C)C1 2105993852 ADDDDOOEUPSTOV-LJQANCHMSA-N 426.330 5.051 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](CNc1cc(Br)cc(F)c1C#N)C2 2163700858 WIHKTVMMKMTKCI-YOWGUQMCSA-N 438.341 5.050 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)cc(C)cc1Br 2173459585 XFYOQNHBBIPLEV-PKOBYXMFSA-N 443.401 5.797 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C=CC(=O)c2cc(F)c(Br)cc2F)cc1 2198194926 FEQBPZPLWIYBPQ-UHFFFAOYSA-N 438.268 5.970 30 10 IKEE CC1CCC(CNc2cc(Br)c(C#N)cc2F)(NC(=O)OC(C)(C)C)CC1 2201473947 NIXHURXFTLJQBT-UHFFFAOYSA-N 440.357 5.345 30 10 IKEE C=CCN(C[C@H](NCCC)c1ccc(Br)cc1CC)C(=O)OC(C)(C)C 2229255638 OUACTCUEDRLWPO-IBGZPJMESA-N 425.411 5.475 30 10 IKEE C=C(C)CCCC[C@@H](NCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2250146798 YFAZPNMXTGBPLY-HSZRJFAPSA-N 430.633 5.555 30 10 IKEE C=C(C)CCCC[C@H](NCCC)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2250185507 OJOZOYMCGARJHT-ZEQRLZLVSA-N 431.665 5.516 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CCC[C@H](C1)[C@]2(C#N)Nc1cccc(Br)c1 2285814954 PCTICRBKUZXSCX-GKWHRYEASA-N 434.378 5.227 30 10 IKEE O=C1NC(=Nc2ccc(F)cc2)SC1=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2293999181 ZRKMNFJXMHXVJI-UHFFFAOYSA-N 438.911 5.950 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 2297332675 JTKVWSABDAHHAV-DEOSSOPVSA-N 440.455 5.086 30 10 IKEE COc1cc(C=C2SC(=Nc3ccncc3Cl)N(c3ccccc3)C2=O)ccc1O 2314543111 VWUCASCRJFLQIA-UHFFFAOYSA-N 437.908 5.258 30 10 IKEE CC(=C1SC(=Nc2ccncc2Cl)N(c2ccccc2)C1=O)c1ccc(Cl)cc1 2314543133 WHTUOZFAEOXNKH-UHFFFAOYSA-N 440.355 6.587 30 10 IKEE CC#CCN(C[C@@H](NCCC)c1scc(Br)c1C)C(=O)OC(C)(C)C 2316107563 VHSKYWISSHSRAW-MRXNPFEDSA-N 429.424 5.120 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc2cc(OC)ccc2n1 2321773097 MVHMRZLDVKDVBM-UHFFFAOYSA-N 435.528 5.101 30 10 IKEE Cc1c(OCc2ccccc2F)ccc2c1OC(=Cc1c(Cl)cccc1Cl)C2=O 2321796413 BJPNWGSXVIDYOY-UHFFFAOYSA-N 429.274 6.636 30 10 IKEE CC(C)(C)c1cc(C=Nn2c(S)nnc2CCc2cccs2)cc(C(C)(C)C)c1O 2321988277 WCRJGXXZONBBOK-UHFFFAOYSA-N 442.654 5.596 30 10 IKEE CCOc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN([C@H]2CCCC[C@@H]2C)C4)cc1 2322153244 QFJGVOHOLZEDLV-JTSKRJEESA-N 433.548 5.741 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1)c1ccc2ccccc2c1 2322326426 QZWMNEXBVKSUCR-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE COc1cccc(C=CC(=O)c2ccc3ccccc3c2)c1OCC(=O)NC1CCCCC1 2322328382 VDDSTIGZEKQXOH-UHFFFAOYSA-N 443.543 5.572 30 10 IKEE CCOc1c(Br)cc(Br)cc1C=CC(=O)c1ccccc1Cl 2322436649 MMZBWATWWIWKFT-UHFFFAOYSA-N 444.550 6.160 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C)cc2C)c1OCc1ccc(Cl)cc1Cl 2322575337 UYNKRBBEGLUPPB-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE CCN(CC)C(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc(C(C)(C)C)cc1 2322687605 XQCDCTILFXYIOI-UHFFFAOYSA-N 427.972 5.781 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(=O)c4cc5cccc(OC)c5o4)ccc3C2=O)c1 2322856927 NOOADUAXBUQVIP-UHFFFAOYSA-N 442.423 5.285 30 10 IKEE O=C(COc1ccccc1)Oc1ccc2c(c1)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2322945285 MWBIWYUUODBHOS-UHFFFAOYSA-N 441.266 5.594 30 10 IKEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C2(CCCC2)C1 2323304048 DWJSJOMFDDEHDA-SANMLTNESA-N 442.600 5.232 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3C)c(OC)c2)cc1C 2323580376 FMCPZRFVTWWQME-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE COC(=O)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C)cc2)C3=O)cc1 2323603757 FTYQNYFNVXJLKU-UHFFFAOYSA-N 440.451 5.017 30 10 IKEE Cc1c(OCCc2ccccc2)ccc2c1OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2324282925 HEYWZONAXUSXBC-UHFFFAOYSA-N 425.311 6.540 30 10 IKEE C[C@@H](Oc1ccc2c(c1)OC(=Cc1cn(C)c3ccccc13)C2=O)C(=O)Nc1ccccc1 2324404153 ARBQYMICJWNVHQ-QGZVFWFLSA-N 438.483 5.201 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cccc(C)c3C)c(Cl)c2)cc1C 2324447366 USYPFQWBNRNFDY-UHFFFAOYSA-N 447.962 6.487 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(OC)c(OC)c3)n2)cc1 2324504829 HIDBKRCXZARLIG-IBGZPJMESA-N 434.517 5.116 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OCc1ccccc1C 2324545361 XRXQRLPKZBQJSF-UHFFFAOYSA-N 434.963 7.057 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1Cl 2324607173 MIENUXDODFWWDR-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE Cc1c(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2)ccc2c1OC(=Cc1ccccc1)C2=O 2324611753 VKIQYRVRPYRUFO-INIZCTEOSA-N 433.891 5.671 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(C(C)(C)C)cc3)n2)c(C)c1C 2324706231 CYLWESLNSWDDNC-QFIPXVFZSA-N 444.600 6.623 30 10 IKEE CC(=O)c1cccc(NC(=O)COc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)c1 2325382880 VHAWGWBSVHKJJY-UHFFFAOYSA-N 439.467 5.079 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccccc1O 2325535377 DPLDTKJIBUBEMR-UHFFFAOYSA-N 435.380 5.808 30 10 IKEE Cc1cc(OCC(=O)Nc2nccs2)cc2c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O2 2325589786 RIMMHHGKZLNVRL-UHFFFAOYSA-N 448.544 5.383 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(OC)c([N+](=O)[O-])c3)c2)cc1C 2325715248 VQULTLPNAVTIBX-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE CCc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1 2325722545 LLIYXQMNTFINKY-UHFFFAOYSA-N 447.918 5.845 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc1OC(=O)c1ccco1 2325752054 AWQRITFBNSPHEW-UHFFFAOYSA-N 434.488 5.710 30 10 IKEE COc1ccc(CCC(=O)Oc2cccc(C=CC(=O)c3cc(C)c(OC)cc3C)c2)cc1 2325771334 OUVPPMPIZXJBMF-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE CSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1cccc2ccccc12 2325911071 UYRWHOZZWKCXJJ-UHFFFAOYSA-N 443.359 5.921 30 10 IKEE CCCOc1c(C=Nn2cnnc2SCc2ccc(C(C)(C)C)cc2)cccc1OC 2326315222 JJEDWJMEJAXIEL-UHFFFAOYSA-N 438.597 5.548 30 10 IKEE CCCOc1ccc(C=Nn2c(CCc3ccccc3Cl)nnc2SCCC)cc1 2327980116 XXKKJEKNUQGUKN-UHFFFAOYSA-N 443.016 5.890 30 10 IKEE CCCCC1CCC(c2nnc(SCC)n2N=Cc2ccc3c(c2)OCCO3)CC1 2328147324 CHERRTUAPCRUCO-UHFFFAOYSA-N 428.602 5.508 30 10 IKEE Fc1ccc(CSc2nnc(-c3cccs3)n2N=Cc2ccc(F)cc2F)cc1 2330541167 PVUKVMDSKOYUAS-UHFFFAOYSA-N 430.480 5.598 30 10 IKEE Cc1cccc(CSc2nnc(-c3cccs3)n2N=Cc2ccccc2C(=O)O)c1 2330551712 LHHAGJIWEXRPSM-UHFFFAOYSA-N 434.546 5.188 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 2330621978 UNIMJJVOECYCPH-UHFFFAOYSA-N 431.444 5.038 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3C)cc2)cc1OC 2330710849 WVDNAJIFOVLQTH-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)ccc1OC(=O)c1cc(C)cc(C)c1 2330944140 NJACTWYUXIVPEJ-UHFFFAOYSA-N 434.919 6.471 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC(=O)C1CCC1 2331240341 ZRFBTZUJEFSMRZ-UHFFFAOYSA-N 435.303 5.612 30 10 IKEE COc1cccc(C(=O)Oc2c(OC)cc(C=CC(=O)c3ccc(C)cc3)cc2OC)c1 2331259965 ZTEJPGXPWBZLGV-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)c1cc(Cl)ccc1Cl 2331293238 LLABPJHXPQJQQO-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE CCCC(=O)Oc1c(OCC)cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 2331421330 HIIJOQQSAPNCOQ-UHFFFAOYSA-N 439.508 5.893 30 10 IKEE CCc1ccc(C=Nn2c(CC(C)C)nnc2SCC(=O)Nc2c(C)cccc2C)cc1 2331450500 QJPKJLPRLPRIDN-UHFFFAOYSA-N 449.624 5.269 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccn3)c(Br)c2)cc1C 2331706803 DVHABGURWOWMAX-UHFFFAOYSA-N 436.305 5.576 30 10 IKEE CC(C)c1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccccc1[N+](=O)[O-] 2331716319 PVAZSUAWJFBDSD-UHFFFAOYSA-N 433.896 5.277 30 10 IKEE COc1cc(C=Nn2c(SCc3cccc(C)c3)nnc2C2CC2)cc(Cl)c1O 2331730149 VZPGPDOAXYNNSY-UHFFFAOYSA-N 428.945 5.006 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)/C=C\c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 6459944 JTKVWSABDAHHAV-RBNQUJQMSA-N 440.455 5.086 30 10 IKEE C=CCn1c(SCC(=O)O[C@H](C)CC)nc2scc(-c3ccc(C)cc3)c2c1=O 19650736 VXEUOAHDJACFKS-OAHLLOKOSA-N 428.579 5.053 30 10 IKEE C=CCn1c(S[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)nnc1-c1ccc(Cl)cc1 21729287 UBOFLKKDADAZDO-HOTGVXAUSA-N 438.984 5.243 30 10 IKEE COc1ccc(OC)c(/C=C2\S/C(=N/c3cccc(C)n3)N(C3CCCCC3)C2=O)c1 39863615 NUJLVYYZGNOFNY-SYUAUQEVSA-N 437.565 5.344 30 10 IKEE N#Cc1nc(-c2ccccc2[N+](=O)[O-])oc1NC[C@@H](c1ccc(Cl)cc1)N1CCCC1 40373982 RUJGWJVJVJUKGI-FQEVSTJZSA-N 437.887 5.024 30 10 IKEE C=CCn1c(SCCC(=O)Nc2cccc3ccccc23)nnc1-c1cccc(OC)c1 59807984 FBEVHSDHYIJCDU-UHFFFAOYSA-N 444.560 5.414 30 10 IKEE CCCCCCCOc1ccc(CNCc2ccccc2)c(OCCCCCCC)c1 100045153 DUWAKMGRWGFFOK-UHFFFAOYSA-N 425.657 7.675 30 10 IKEE O=C1/C(=C\c2cccc(Cl)c2Cl)S/C(=N\c2ccccc2)N1C1CCCCC1 100403212 KTSKKESYSNAFSS-ZMPTXAIYSA-N 431.388 6.930 30 10 IKEE CCCC[C@H]1S/C(=N/N=C/c2ccc(OC)cc2OC)N(Cc2ccccc2C)C1=O 102659304 RGFJLHSGFCIJKQ-FTTRISJGSA-N 439.581 5.037 30 10 IKEE CCCOc1ccc(C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)c2nc3ccccc3o2)cc1 102859797 MLVZRIFGYOXTAR-CLCOLTQESA-N 439.555 7.338 30 10 IKEE CCCCCCCC(=O)N(CC(=O)N(Cc1ccccc1)Cc1cccs1)C1CC1 102991135 RDUJPMCUQVCNGF-UHFFFAOYSA-N 426.626 5.628 30 10 IKEE COc1cccc(/C=N\n2c(S)nnc2-c2cccs2)c1OCc1cccc(C)c1 169912675 REKYZNGAMBAWSP-QRVIBDJDSA-N 436.562 5.074 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\n2c(SC)nnc2C(C)C)cc1Cl 169915670 GTWNIMXMBXOXBY-JLPGSUDCSA-N 437.053 6.788 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(OCCCc3ccccc3)cc2)NC(=S)N1 169938209 LTVSSZYNCDAXSP-VWLOTQADSA-N 442.584 5.374 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccnc2)c1 170012721 DOONUQFXXAKJKV-QFIPXVFZSA-N 432.907 5.130 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 170051941 LEURXCNXRILHHS-OAQYLSRUSA-N 448.862 5.340 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(Cl)cc2)cc1 170056678 TZPMQQIYNIZSKF-OAQYLSRUSA-N 437.948 5.742 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccc(F)cc2)cc1 170061392 SPOJVMUCMBBNHT-XMMPIXPASA-N 445.490 5.624 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2ccc(F)cc2)cc1 170061930 FMBMDBIXTJUVQK-FQEVSTJZSA-N 436.508 5.244 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1)c1c[nH]c2ccccc12 170063039 WIEXLWJIKMYTJT-JOCHJYFZSA-N 446.865 5.743 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccccc2F)cc1C 170071326 JWHUZVUMQJGBSH-QHCPKHFHSA-N 426.447 5.097 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(Cl)c2)[C@@H]1c1ccc(C)o1 170101619 BCBAWWDDYHHXNW-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@H]1c1ccc(O)cc1 170137305 RPRDFIAGVGALRN-OAQYLSRUSA-N 443.927 5.213 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2cccc(F)c2)c1 170140239 ZXRIBIPJVJXFSU-XMMPIXPASA-N 445.490 5.704 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 170142456 PFNITUWZTAOASZ-AREMUKBSSA-N 444.490 5.803 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1cccs1 170159026 AROHXTXWRKTECQ-IBGZPJMESA-N 425.893 5.193 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@H]1c1cccs1 170165506 PBRSONCPYONWHM-GOSISDBHSA-N 448.382 5.588 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccncc2)cc1C 170202298 UVVDSXYKZGITMT-RUZDIDTESA-N 434.495 5.635 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccc2)c1 170222658 WQWQHGLPQCPDCL-HSZRJFAPSA-N 431.463 5.396 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccccc2)c1 170225090 NYDIJKPHLVEURJ-RUZDIDTESA-N 441.527 5.875 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccccc2)c1 170225626 HBGDGVXNFVRCEQ-CJAUYULYSA-N 439.511 5.410 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccc(F)cc2)c1 170238992 NRKXQIAAECWFGT-VWLOTQADSA-N 437.470 6.070 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(C(C)C)cc2)c1 170246108 HXPWELQKORRFNI-DEOSSOPVSA-N 433.548 5.730 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@@H]1c1ccco1)c1cccc2ccccc12 170287276 RPUNXFBJEPIKIV-AREMUKBSSA-N 445.474 6.369 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccco2)cc1 170292087 YJHAEONUCXJQGN-QFIPXVFZSA-N 435.476 5.220 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 170415187 RNHAFJOZZKYYLK-QFIPXVFZSA-N 433.479 5.495 30 10 IKEE COc1cc(/C=C\C(=O)Nc2nc(-c3ccccc3Cl)cs2)ccc1OCC#N 207531129 VKYJBBWWSHFAAI-CLFYSBASSA-N 425.897 5.026 30 10 IKEE Cc1ccc(N=C2S/C(=C/c3sccc3C)C(=O)N2c2ccc(C)c(C)c2)cc1C 252602450 FIJWMXCSVRBIGI-YZWRYSEFSA-N 432.614 7.099 30 10 IKEE COc1ccccc1N=CC1=C(c2cccs2)Oc2ccccc2[C@@H]1c1ccc(C)cc1 254491054 CPPNJCAOVMBKSV-MHZLTWQESA-N 437.564 7.403 30 10 IKEE COCCN=c1scc(-c2cc3ccccc3o2)n1N=Cc1cccc(C(F)(F)F)c1 254632838 OXSPIKVZVXKPHR-UHFFFAOYSA-N 445.466 5.411 30 10 IKEE CCCCN1C(=O)/C(=C2\Sc3ccccc3N2C)SC1=Nc1ccccc1OC 254749866 SJRCFQVRCGPLPQ-CUCKYGFWSA-N 425.579 5.469 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 526486474 LNJTWPRQZFAUAW-RUZDIDTESA-N 438.527 5.922 30 10 IKEE CC(C)COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(O)cc2)c1 526487527 AJDFUZZYHUNHMU-VWLOTQADSA-N 440.499 5.356 30 10 IKEE CC(C)COc1cccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2C#N)c1 526606022 BQOSFELJHZMGQK-VWLOTQADSA-N 442.490 5.789 30 10 IKEE COc1cc([C@@H]2C(c3cccc4ccccc34)=C(O)C(=O)N2c2ccccc2C#N)ccc1O 526611048 SBCYNKURASISHR-AREMUKBSSA-N 448.478 5.483 30 10 IKEE CCn1cc(/C=N\n2cnnc2SCc2ccc(Cl)c(Cl)c2)c2ccccc21 526813941 FKBWEBCCWKXSOF-VROXFSQNSA-N 430.364 5.734 30 10 IKEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1c(O)ccc2ccccc12 526814220 HQGHVMHJVMZMPN-MYKKPKGFSA-N 443.359 5.927 30 10 IKEE CCOc1cccc(/C=N\n2c(C)nnc2SCc2cccc3ccccc23)c1OC 526821509 WBPIBRRFHKBEJX-MYYYXRDXSA-N 432.549 5.322 30 10 IKEE Cc1c(/C=N\n2cnnc2SCc2ccc(Cl)cc2Cl)c2ccccc2n1C 526823343 HJIGVAUVIAUOLB-VROXFSQNSA-N 430.364 5.560 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@]1(C#N)CCOc2ccc(Br)cc21 698422702 DYPPMMSIPGMKPS-QFIPXVFZSA-N 443.341 5.388 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)C1(C#N)C2CC3CC(C2)CC1C3 698454967 AADPTJOGKCGABP-UHFFFAOYSA-N 431.374 5.909 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@H](C#N)c1ccc(Br)c(Cl)c1 698866123 IRRIWDQGXGGYNZ-MRXNPFEDSA-N 441.778 6.166 30 10 IKEE C=C1/C(=C/C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C\[C@@H](C)C(C)(C)O)C[C@H](O)C[C@H]1O 1083807083 ZGLHBRQAEXKACO-INOPLHSRSA-N 428.657 5.727 30 10 IKEE CCCC[C@H](CC)OC(=O)CSc1n[nH]c(NN=C(C)C23CC4CC(CC(C4)C2)C3)n1 1084656461 ZNRZQMOUZFSXTG-HJGBXLFDSA-N 447.649 5.413 30 10 IKEE CC(C)(C)c1ccc(/C=N\N=C2/S/C(=C\c3cccs3)C(=O)N2Cc2ccco2)cc1 1554646209 QYIHQFXSMGJSFQ-IRQPWQSJSA-N 449.601 6.145 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=Nc1nccs1 1772737150 NODGGHOKPKQSPH-HWCWCTJWSA-N 446.351 5.399 30 10 IKEE CN1C(=O)/C(=C\c2cn(C)c3ccccc23)SC1=Nc1nc(-c2ccccc2)cs1 1772740180 WJYYIFRBUJGPAQ-HHZJYHKJSA-N 430.558 5.536 30 10 IKEE C=CCN1C(=O)[C@H](CC(=O)c2ccc(Cl)c(C)c2)SC1=Nc1cccc2ccccc12 1772759842 AMVRFIJTMOCWSY-QHCPKHFHSA-N 448.975 6.192 30 10 IKEE Fc1cccc(NC(=S)N/N=C\c2cn(-c3ccccc3F)nc2-c2ccccc2)c1 1857811153 ZYZFHNHAEFZXAM-WGARJPEWSA-N 433.487 5.138 30 10 IKEE CC(C)(C)c1ccccc1NC(=O)c1nc(C(=O)Nc2ccccc2C#N)n2ccccc12 1858242621 CWIOGVPHOBFNKJ-UHFFFAOYSA-N 437.503 5.008 30 10 IKEE CCCSc1ccccc1C(=O)Nc1c(C#N)cnn1-c1cc(C)c2ccccc2n1 1859656813 DGPNFZFCSFDQCY-UHFFFAOYSA-N 427.533 5.355 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc2nc(C(C)C)[nH]c2c1 1861443546 CRMUZPWGRHRNPB-QHCPKHFHSA-N 440.632 5.548 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(N(C)C)cc1 1862446970 FMUGOYGPYVJUSQ-JOCHJYFZSA-N 440.971 5.565 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2cccc3ccccc23)cc1 1862481167 YFPLKDHLOJZRLH-YQIFXUADSA-N 439.555 6.305 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(CC)cc1 1862489265 TUPQLZYMYDVZQB-JYFHCDHNSA-N 447.619 6.803 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccc(Cl)c2)c1 1862490654 AKHBUGQJXJWCCI-NRFANRHFSA-N 437.948 5.797 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccccc2F)ccc1F 1862501724 IXHJITUEKDMMGU-UPNLOYSTSA-N 425.475 5.430 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccc(C)cc2)cc1 1862502291 WBSZMXNIOLZEJK-VWLOTQADSA-N 443.518 5.783 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(Cl)cc1Cl 1862562618 JPRRDEJNKHNQDQ-IBGZPJMESA-N 433.335 5.344 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(C(=O)O)cc1 1862615121 HTCIEDMMXGMABN-YCRPNKLZSA-N 435.520 5.059 30 10 IKEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccc(Cl)c1)c1cccc2ccccc12 1862652085 CJFGWUOQOYOCRW-CVDCTZTESA-N 447.918 5.251 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862719325 MDYIODIAQGCWEO-OAQYLSRUSA-N 448.862 5.166 30 10 IKEE Cc1ccccc1N1C(=O)C(Nc2ccccc2C#N)=C(c2cccc3ccccc23)C1=O 1862849463 PSEFQFOWKUCZRI-UHFFFAOYSA-N 429.479 5.417 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1 1862888289 WJCCVAFTXCJSGF-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(F)c(Cl)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862896288 GSNUWGAUENELIF-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccccc3C#N)C(=O)N(c3cccc(Cl)c3)C2=O)c1 1863024071 UTPJFFTWHLOLOU-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CCCCCCCOc1cn(C[C@@H](c2ccc(O)cc2)N(C)C)c(CSCC)cc1=O 1870259614 AGQOUAWQNUUWBG-QHCPKHFHSA-N 446.657 5.459 30 10 IKEE C=CCOc1cn(Cc2ccc(Cl)cc2)c(CN(CCCC)CCCCCC)cc1=O 1870387552 JAEDWJCNVBRUTA-UHFFFAOYSA-N 445.047 6.297 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(OC)cc2)c(CN2CCC[C@H](C)C2)cc1=O 1870414012 COLOIOUTWJMAQA-QFIPXVFZSA-N 440.628 5.486 30 10 IKEE C=CCn1cc(OCc2c(C)cc(C)cc2C)c(=O)cc1CNc1ccc2nc[nH]c2c1 1870802844 MTQZJHCBEAWATN-UHFFFAOYSA-N 428.536 5.027 30 10 IKEE C=CCOc1cn(Cc2ccccc2)c(CNc2ccc(-c3ccccc3C)cc2)cc1=O 1870810691 NVOPPAFQSMXBQY-UHFFFAOYSA-N 436.555 6.049 30 10 IKEE C=CCn1cc(OCCOc2ccc(Cl)cc2)c(=O)cc1CNc1ccc2cc[nH]c2c1 1870882612 NUSRFVOQCVOBNE-UHFFFAOYSA-N 449.938 5.239 30 10 IKEE C=CCn1cc(OCC(=O)Nc2ccc(C)cc2)c(=O)cc1CNc1ccc(C(C)C)cc1 1871159335 HQAGRJACHXMFGJ-UHFFFAOYSA-N 445.563 5.096 30 10 IKEE CCCCCCCCCCN=c1nc2c(cnn2C)c(Nc2cc(C)ccc2OCC)[nH]1 1871298818 JOZPTHMSRYVFLO-UHFFFAOYSA-N 438.620 5.789 30 10 IKEE Cc1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(N(C)C)cc2)C3=O)cc1 1871366794 MVWJPDWPDQXBNH-FQIHTKLKSA-N 439.511 5.604 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2C)C3=O)c1 1871389036 GZZBXVAQKBRLDX-UCQKPKSFSA-N 428.440 5.146 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4cccc(OC)c4)coc3c2)cc1 1871389792 OSTDEVIJMCHYLQ-UHFFFAOYSA-N 444.439 5.378 30 10 IKEE Cc1cc(OCCCCOc2ccccc2)cc2c1C(=O)/C(=C/c1ccccc1Cl)O2 1871403233 HACDKIDFCLAXSU-JLPGSUDCSA-N 434.919 6.503 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc(O[C@H](C)C(=O)Nc3ccccc3)c2C)C1=O 1871407281 VBXCIOUHTOTNNH-GJQHCVRFSA-N 443.499 5.416 30 10 IKEE CCCCCCCCCOc1cc(C)c2c(c1)O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 1871429609 KMJMZMWHQICQCF-XHPQRKPJSA-N 434.620 8.038 30 10 IKEE Cc1c(OCC(=O)Nc2cccc(Cl)c2)ccc2c1O/C(=C\c1ccc(F)cc1)C2=O 1871454865 XGELWWGIHRASNZ-NHDPSOOVSA-N 437.854 5.421 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(C(C)C)cc1)C(C)C)S(=O)(=O)c1ccccc1 1871830561 WQYUWBJDTXGIPF-QHCPKHFHSA-N 428.598 5.040 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[C@H](C)CC)S(=O)(=O)CCCC 1872026557 UIHQDIASXPBXSI-KNQAVFIVSA-N 436.662 5.345 30 10 IKEE N#C[C@H](C(=O)Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872760789 XRQWIBVPPLEIRC-GOSISDBHSA-N 441.383 6.415 30 10 IKEE N#C[C@@H](C(=O)/C=C/c1cccc(Cl)c1)c1nc(-c2ccc(Br)cc2)cs1 1872765664 UMTAFZZKZKEERE-QVNOTHCHSA-N 443.753 6.116 30 10 IKEE N#C[C@H](C(=O)COc1ccc(Cl)cc1Cl)c1nc(-c2ccc(Cl)cc2)cs1 1872767010 RJYGHYSEFNACFD-CQSZACIVSA-N 437.735 6.026 30 10 IKEE C=CCN1C(=O)C(NCCCCCCCCCC)=C(c2ccc(-n3cccc3)cc2)C1=O 1873037516 SLGGFQMDZZQTBX-UHFFFAOYSA-N 433.596 5.474 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCCCCCC)=C(c2ccccc2)C1=O 1873161908 WKVBURGHQDCMSZ-UHFFFAOYSA-N 440.672 6.857 30 10 IKEE CC(=O)c1ccc(-c2ccc(/C=N/n3c(C)nnc3SCc3ccccc3C)o2)cc1 1873500752 BPZBIIRCIRUVDQ-AFUMVMLFSA-N 430.533 5.532 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(C)cc1 1874205157 LUXLFADROUCQFZ-FSJBWODESA-N 435.380 5.857 30 10 IKEE C=CCSc1nnc(COc2ccccc2OCC)n1/N=C/c1ccc(C(C)C)cc1 1874243146 PYUITSALTMAKSU-PCLIKHOPSA-N 436.581 5.540 30 10 IKEE CCCc1ccc(OCc2nnc(SCC)n2/N=C/c2ccc(Cl)c(Cl)c2)cc1 1874258016 ZMSBKCVQXHNTOZ-ZMOGYAJESA-N 449.407 6.111 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(COc2ccccc2Cl)nnc1SC 1874265606 GKMAEUHGHZSDDD-ZMOGYAJESA-N 438.940 5.276 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2Cl)n1/N=C/c1cc(Cl)ccc1O 1874267081 ZJLVPOOXLQHGTD-AUEPDCJTSA-N 449.363 5.420 30 10 IKEE C=C(C)CSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(C(C)C)cc1 1874269685 JFZQXUAIOIQVOE-OGLMXYFKSA-N 440.616 6.696 30 10 IKEE Cc1cccc(OCc2nnc(SCCc3ccccc3)n2/N=C/c2cccs2)c1C 1874324982 RZOJPQIBPXGWDE-PCLIKHOPSA-N 448.617 5.752 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(COc3ccccc3)nnc2SCc2cccc(F)c2)c1 1874383279 IJTJQVPVZSIMSF-VULFUBBASA-N 448.523 5.185 30 10 IKEE Cc1ccccc1CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1sccc1C 1874392008 AUBRHYBRAWWFAQ-QVWJKXSPSA-N 432.618 6.283 30 10 IKEE Oc1cccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccc(F)cc2)c1 1874398363 CFZIWWDITJXLJF-WGOQTCKBSA-N 432.524 5.083 30 10 IKEE O=[N+]([O-])c1ccc(/C=N/n2c(SCCc3ccccc3)nnc2-c2ccccc2)cc1 1874428339 DSTFSOKKWIYEGZ-JJIBRWJFSA-N 429.505 5.070 30 10 IKEE Cc1ccsc1/C=N/n1c(SCc2c(F)cccc2Cl)nnc1[C@H]1CCCO1 1874451891 TXNNQNDWDITAEV-YJCKXXIQSA-N 436.965 5.467 30 10 IKEE COCCc1nnc(SCc2ccccc2C)n1/N=C/c1ccc(Cl)cc1Cl 1874470082 MMAKORRABKBSFA-FSJBWODESA-N 435.380 5.257 30 10 IKEE COCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(C(C)C)cc1 1874474047 KGFIXVCRMGFTIG-ZVHZXABRSA-N 428.989 5.418 30 10 IKEE CCCCOc1ccc(/C=N/n2c(S)nnc2CCc2cccc3ccccc23)cc1 1874567505 AVLRNILNQQEEIO-NLRVBDNBSA-N 430.577 5.566 30 10 IKEE COC(=O)c1ccc(COc2ccc3ccccc3c2/C=C/C(=O)c2cccc(OC)c2)o1 1874572481 PDODFNSCTRRJCV-OUKQBFOZSA-N 442.467 5.703 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2)cc1 1874576045 UROFDQJJXCLSHU-XYOKQWHBSA-N 435.907 5.571 30 10 IKEE CCc1ccccc1NC(=O)COc1ccccc1/C=C/C(=O)c1cc(OC)ccc1OC 1874581140 YJPIHDJQJOEPNM-FYWRMAATSA-N 445.515 5.180 30 10 IKEE CCCOc1c(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)cc(Cl)cc1OC 1874587189 ZODSIDRFCIFZLY-AATRIKPKSA-N 429.727 6.349 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2ccc(Cl)cc2)c(OC)c1 1874588045 RDQKAZPLZBXYDY-NTEUORMPSA-N 438.907 5.841 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3cc(C)cc(C)c3)c2)cc1C 1874593689 WXJCRVFNSXUDTF-CSKARUKUSA-N 429.516 5.534 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 1874613796 NORFCUPYYNMSBJ-WLRTZDKTSA-N 437.879 6.122 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OCc1cccc(C)c1 1874626881 BGVCZBBOSYCOMI-ZRDIBKRKSA-N 444.571 6.919 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3C)c(Cl)c2)c2ccccc12 1874638887 XOAWWNWGONLZLB-SDNWHVSQSA-N 442.942 7.285 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1OC(=O)Cc1ccc(C)cc1 1874693758 USIDFOLKZVFRNW-RVDMUPIBSA-N 440.539 5.927 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(OC)c([N+](=O)[O-])c3)c2)cc1 1874694435 CIBKERMJXYENPW-UKTHLTGXSA-N 431.444 5.281 30 10 IKEE Cc1cccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)c2)c1C 1874698239 NAUAVNDPPAXMFS-NTEUORMPSA-N 431.444 5.092 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cccc(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 1874699012 YYXIWRVKDGPYAW-FMIVXFBMSA-N 437.835 5.372 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccccc2)CSc2nnc([C@H]3CCCO3)n21 1874948722 ZNNYHPUFPIOHRA-VQTJNVASSA-N 428.602 5.192 30 10 IKEE CCCCCCCCC(=O)N1[C@H](C(C)(C)C)CSc2nnc(COc3ccccc3)n21 1874986664 TWNXDQGPNYJEHZ-FQEVSTJZSA-N 444.645 5.593 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCOc3ccccc3)c(OC)c2)cc1 1875100804 DSISJQCLRKMXIH-RVDMUPIBSA-N 430.500 5.528 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)COc2ccccc2)c(Cl)c1 1875143226 PRQBILYNTLDPDU-PKNBQFBNSA-N 436.891 5.538 30 10 IKEE CCCCCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OC 1875182388 AQGNNXVPOWFZRZ-OUKQBFOZSA-N 438.564 6.401 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)[C@@H]1CCCO1 1875185487 VLIHUBUPKCBGBL-MURVUTHMSA-N 436.548 5.672 30 10 IKEE CCCCCCC[C@@H](O)c1c(Br)sc(Br)c1Br 1924583732 OIBZCDNQUOFQJF-MRVPVSSYSA-N 449.046 6.430 30 10 IKEE CCCCCCCCCC[C@@H](NCC)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2034441927 XRKYYBDOVJYODY-JWQCQUIFSA-N 448.692 6.605 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2046018675 KDRFGMIUHBBLLS-MTNCGBOCSA-N 445.535 5.153 30 10 IKEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@@H](C#N)c1c(F)cc(Br)cc1F 2051142446 OOTVBZUCLPGFSQ-NSHDSACASA-N 429.183 5.091 30 10 IKEE CCCc1ccc([C@H](C2CCC2)n2nc(CC)c(C#N)c2I)cc1 2080007625 VTSZZYHAYUKCGM-IBGZPJMESA-N 433.337 5.264 30 10 IKEE COc1c2c(nc3c(-c4cc(F)c(F)c(F)c4F)c(C(F)(F)F)nn13)CCCCC2 2081403610 NVTKBISQERKBOK-UHFFFAOYSA-N 433.327 5.249 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(F)c(Nc2ncc(Br)cc2C#N)c1F 2105994964 HWYSUDBBXKJJOQ-UHFFFAOYSA-N 425.233 5.085 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)C[C@H]2CC(F)(F)C[C@H]2C1 2160217988 UJIQXUPGTDVSHF-BDQBCWGISA-N 441.316 5.908 30 10 IKEE C#CCCN(C(=O)c1ccc(Br)cc1NC(=O)OC(C)(C)C)C1CCCC1 2180051468 WLCYSXPKEMUGHE-UHFFFAOYSA-N 435.362 5.204 30 10 IKEE CC(C)(C)OC(=O)NCCN(c1cc(Br)cc(F)c1C#N)C1CCCCC1 2186666110 MQFILMJXRRDTJT-UHFFFAOYSA-N 440.357 5.124 30 10 IKEE CC(C)(C)OC(=O)NC1(c2ccc(Nc3cccc(Br)c3C#N)cc2)CC1 2206283906 SZFIMGYSEYUULG-UHFFFAOYSA-N 428.330 5.578 30 10 IKEE C=CC[C@@H](C)[C@H](NCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229128327 QUEIUIDHECNXNR-MNEFBYGVSA-N 425.411 5.075 30 10 IKEE Cc1c(Br)sc([C@H](C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)c1C 2247208071 IOBSCOVDZVBQHY-JTQLQIEISA-N 427.286 5.492 30 10 IKEE C=C(C)CCCC[C@@H](N)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2271754331 HSNPJJDHSFXGEL-MOPGFXCFSA-N 425.411 5.349 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@]2(CNc3c(Br)cccc3C#N)CCC[C@H]12 2285184495 NCOOLEFYMYJXSN-UWJYYQICSA-N 434.378 5.302 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)CC(C)(C)N(C)C(=O)OC(C)(C)C 2296270880 BUFRPKDFMKDBBI-IBGZPJMESA-N 437.422 5.204 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(O)c3CN(CC(C)C)CC(C)C)C2=O)cc1OC 2296603198 AHWQLNSSMLRXOM-UHFFFAOYSA-N 439.552 5.140 30 10 IKEE O=C1C(=CNc2ccc(Cl)cc2)S(=O)(=O)N(Cc2cccc(F)c2)c2ccsc21 2297378425 OHZVITPVEMTJFD-UHFFFAOYSA-N 448.928 5.027 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(OCCCC)c(OC)c2)SC1=Nc1ccc(O)cc1 2314928624 ZAQQVZJBGWMNDG-UHFFFAOYSA-N 438.549 5.370 30 10 IKEE C=Cc1ccc(COc2cc(C)c3c(c2)OC(=Cc2ccc(OC)c(OC)c2)C3=O)cc1 2321863190 RQAVKXKLYISNDD-UHFFFAOYSA-N 428.484 5.850 30 10 IKEE Cc1ccc(CN2COc3ccc4c(c3C2)OC(=Cc2ccc(C(C)C)cc2)C4=O)cc1 2321958520 AJMMNZHGNOBDRS-UHFFFAOYSA-N 425.528 6.087 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(N(C)C)cc1)O3)CN(CCc1cccs1)CO2 2322197168 YDKYTXWWENPWKU-UHFFFAOYSA-N 446.572 5.133 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(C(C)(C)C)cc1)C3=O)CN(Cc1cccnc1)CO2 2322312065 DAVFMQKRVNKEEB-UHFFFAOYSA-N 440.543 5.656 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(C(C)C)cc1)C3=O)CN([C@@H]1CCCC[C@H]1C)CO2 2322391789 LCRIFPUGZIUUFC-HOYKHHGWSA-N 431.576 6.465 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2cc(C)ccc2C)c1OCc1cc(C)ccc1C 2322617174 QPOUWBNEKCCGLX-UHFFFAOYSA-N 434.963 7.057 30 10 IKEE Cc1cc(OC(=O)c2ccccc2)cc2c1C(=O)C(=Cc1ccc(-c3ccccc3)cc1)O2 2322667071 NLAHTQRUZBWZKK-UHFFFAOYSA-N 432.475 6.497 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2c(Cl)cccc2Cl)C3=O)cc1 2322680269 ZCNGNLOZCQYGOU-UHFFFAOYSA-N 439.294 6.446 30 10 IKEE CCCOC(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccc(C(C)(C)C)cc1 2322684337 YMFJRTGVDSAZPF-UHFFFAOYSA-N 430.544 6.365 30 10 IKEE Cc1cc(OC(=O)c2cc3cc(Cl)ccc3o2)cc2c1C(=O)C(=Cc1ccccc1)O2 2322847289 YIJCZDGSUBVMSH-UHFFFAOYSA-N 430.843 6.230 30 10 IKEE COc1cccc(C=CC(=O)c2cc(Cl)cc(C)c2OC)c1OCc1ccccc1F 2322942278 HNGMFBRRQRLKFO-UHFFFAOYSA-N 440.898 6.280 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(F)cc2)c(Cl)c1)c1ccc(Cl)cc1Cl 2323514863 PGGQLDYKTRVOJX-UHFFFAOYSA-N 435.709 7.261 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCc3ccc(C(=O)OC)o3)c(OC)c2)cc1 2323557255 RCNXGMWGIDHWLD-UHFFFAOYSA-N 448.515 5.893 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)cc1C 2323557605 HGSFTVKEIIZYAA-UHFFFAOYSA-N 440.898 6.280 30 10 IKEE Cc1cc(OC(=O)c2cccc(Oc3ccccc3)c2)cc2c1C(=O)C(=Cc1cccnc1)O2 2323560959 CYNQVTUUKAAICI-UHFFFAOYSA-N 449.462 6.018 30 10 IKEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2Cl)o1 2323790275 FPJHFQFRYSXDMO-UHFFFAOYSA-N 431.271 5.848 30 10 IKEE CCCOc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)c1 2323831894 PEFBIQSOQNIGOA-UHFFFAOYSA-N 448.902 6.273 30 10 IKEE Cc1ccc(-c2csc(NN=Cc3cc(Cl)c(OC(C)C)c(Cl)c3)n2)cc1C 2323858072 ASUKENIPHNBOSG-UHFFFAOYSA-N 434.392 6.967 30 10 IKEE CCc1ccc(C=C2Oc3c(CN(CC)CCc4ccncc4)c(O)cc(C)c3C2=O)cc1 2324091381 UKYRTKFTOYBPNU-UHFFFAOYSA-N 442.559 5.339 30 10 IKEE CCCCN(CC)Cc1c(O)ccc2c1OC(=Cc1cn(CC)c3ccc(OC)cc13)C2=O 2324123912 GTHYOGXTMXBNMH-UHFFFAOYSA-N 448.563 5.614 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(F)c2)cc(OC)c1OCc1ccc(C)cc1 2324123949 PILQCHZAHUKSPW-UHFFFAOYSA-N 446.518 6.355 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OCC(=O)OCC(C)C 2324196983 RJOOBNAYUDRMBG-UHFFFAOYSA-N 426.484 5.037 30 10 IKEE COc1cccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(Cl)cc3Cl)n2)c1 2324384935 XUHPQIDCFGVKJV-QGZVFWFLSA-N 429.328 6.015 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2F)C3=O)cc1 2324451586 BCQQAASPLMWJSB-MRXNPFEDSA-N 447.462 5.165 30 10 IKEE COc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccc(C)cc4C)ccc3C2=O)cc1 2324493810 FSYCMVJYPXSLIN-SFHVURJKSA-N 443.499 5.334 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2sccc2C)C3=O)c(C)c1 2324893387 RDYJJHHNHAUOJB-UHFFFAOYSA-N 433.529 5.615 30 10 IKEE Cc1cc(OCC(=O)NCc2ccccc2)cc2c1C(=O)C(=Cc1ccc(C(C)C)cc1)O2 2324967047 SLCGLSFXERKYPW-UHFFFAOYSA-N 441.527 5.430 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccccc2Cl)c1 2325471570 ZZOOLQXLDSRKJS-UHFFFAOYSA-N 432.980 6.005 30 10 IKEE CCCCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccccc1O 2325530279 FNYXLRUXLGSUAT-UHFFFAOYSA-N 435.380 5.808 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1c(OC)ccc2ccccc12 2325544327 SRLHPFMHLQWMJV-UHFFFAOYSA-N 434.540 5.706 30 10 IKEE C[C@H](C(=O)Oc1cccc(C=CC(=O)c2ccc(Br)cc2)c1)c1ccccc1 2325716611 LFQWOGOFMYPLDA-KRWDZBQOSA-N 435.317 6.054 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc4nc(C)c(C)nc4c3)c2)cc1 2325719382 QDDRGQSBQPQWIM-UHFFFAOYSA-N 438.483 5.371 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1OC(=O)c1ccc(F)c(F)c1F 2325727556 ZZNPATZCGZPQSZ-UHFFFAOYSA-N 446.808 5.881 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)c2)c(C)c1 2325736444 AMFURCYVNMEUID-DNQXCXABSA-N 430.931 6.562 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OC(=O)CCc1ccccc1C 2325741494 QGZFRIUIYGZIDS-UHFFFAOYSA-N 432.491 5.885 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)cc1OC(=O)C(C)(C)C 2325755891 BBZFQNFQEPJIIL-UHFFFAOYSA-N 437.319 5.858 30 10 IKEE CCOc1ccc(C=Nn2cnnc2SCc2ccc(C(C)(C)C)cc2)c(OCC)c1 2326315379 FEHJIBPMVGIUDC-UHFFFAOYSA-N 438.597 5.548 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2326416024 YZQMXPGYILVFDA-UHFFFAOYSA-N 443.960 5.584 30 10 IKEE COc1ccccc1C=Nn1c(Cc2ccccc2)nnc1SCc1cc(C)cc(C)c1 2326421571 YRDDWFBJBVXATP-UHFFFAOYSA-N 442.588 5.669 30 10 IKEE C=CCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccccc1OC 2326606018 XIKRVCKNKKJRON-UHFFFAOYSA-N 428.561 5.385 30 10 IKEE CCCSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1c(F)cccc1Cl 2327210909 JCRUOSVKUDLIOI-UHFFFAOYSA-N 446.979 5.775 30 10 IKEE Fc1ccccc1CSc1nnc(COCc2ccccc2)n1N=Cc1ccccc1 2329342751 BLHWZHUGNWSPLY-UHFFFAOYSA-N 432.524 5.309 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccc(F)cc2)n1N=Cc1cccc(O)c1 2329473408 QSMYSFYVCRGXKT-UHFFFAOYSA-N 446.551 5.391 30 10 IKEE COc1cccc(C=Nn2c(CCc3ccccc3C)nnc2SCc2ccccc2)c1 2329486439 KXPZGUOMFHXWGJ-UHFFFAOYSA-N 442.588 5.555 30 10 IKEE COc1ccccc1C=Nn1c(SCCc2ccccc2)nnc1-c1ccccc1Cl 2329587616 SAOVDKUCVWXOPJ-UHFFFAOYSA-N 448.979 5.824 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)C=Cc1ccc(OC)cc1)[C@@H](C)CC 2330128890 UPWOSYJVLMWUHX-OFVILXPXSA-N 430.633 5.496 30 10 IKEE Clc1cccc(CSc2nnc(CC3CCCCC3)n2N=Cc2ccncc2)c1 2330288384 GIPZBCSJSMHCGV-UHFFFAOYSA-N 425.989 5.624 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 2330621709 OMLRJGBEBROLGS-UHFFFAOYSA-N 435.520 6.393 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)CCCC4)cc2)cc1 2330679699 ZBEMHOVSHIZNQJ-UHFFFAOYSA-N 440.539 6.008 30 10 IKEE CCc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2-c2ccccc2)cc1 2330684502 KMPOOSUYAXATGK-UHFFFAOYSA-N 448.595 6.835 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)ccc1OC(=O)c1ccc(C)c(C)c1 2330794950 DDISZFIRTAATHF-UHFFFAOYSA-N 430.500 5.826 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)C(F)(F)F)c(OC)c2)cc1C 2330852194 YVRYNQZADNYABE-UHFFFAOYSA-N 428.790 5.029 30 10 IKEE Cc1cccc(CSc2nnc(C3CCCC3)n2N=Cc2c(Cl)cccc2Cl)c1 2331045185 FEAHZNWSXPWSRI-UHFFFAOYSA-N 445.419 6.725 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccccc1C 2331430725 UQYQWBMFBMGAGI-UHFFFAOYSA-N 428.528 6.416 30 10 IKEE CCOc1ccc(C=Nn2c(CC(C)C)nnc2SCc2c(F)cccc2Cl)cc1 2331474634 WYUPLHOBSQNQSS-UHFFFAOYSA-N 446.979 5.842 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2ccc(OC(=O)c3cccc(F)c3)cc2)cc1Cl 2331695827 SBCPHTSFIPVVFC-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2ccc(OC(=O)C3CCCC3)c(Cl)c2)cc1Cl 2331698304 FGBNFXJFMFAKBO-UHFFFAOYSA-N 449.330 6.002 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1C 2331707113 JUAOEMHPZUFYPS-UHFFFAOYSA-N 435.863 5.980 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)c1ccccc1C 2331762601 SKAIGTMTEONQEF-UHFFFAOYSA-N 448.946 6.698 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)c1ccccn1 2331770833 PMRDOHBWMRFKNQ-UHFFFAOYSA-N 449.934 6.174 30 10 IKEE CC1(C)OB(C=Cc2ccc(N[C@@H]3CC[C@@H]4CN(Cc5ccccc5)C[C@H]43)nc2)OC1(C)C 2365066734 YGJVXDPDLMFCEG-WXFUMESZSA-N 445.416 5.049 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CCC(=O)C#Cc2ccccc2Br)C1(C)C 2370407842 RMQBAMOWHQJJFJ-LPHOPBHVSA-N 434.374 5.089 30 10 IKEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(C)c(C)c(Br)c(C)c1C 2375346741 FGKZJWJNHPIEHZ-PXNSSMCTSA-N 437.422 5.250 30 10 IKEE CCOc1ccc2c(c1)O/C(=C\c1cccc(OCC)c1OC(=O)c1ccc(C)cc1)C2=O 8823754 JWHPPUKZRPGWER-IWIPYMOSSA-N 444.483 5.628 30 10 IKEE C=CCn1c(S[C@H](C)C(=O)OC(C)C)nc2scc(-c3ccc(C)cc3)c2c1=O 8950556 KRRKOOXXVUPGKR-OAHLLOKOSA-N 428.579 5.052 30 10 IKEE Cc1cc(Br)c(/N=C2/NC3(CCC(C)CC3)CS2)c(Br)c1 53098458 PFZQZPFQMBTKBY-UHFFFAOYSA-N 432.225 5.793 30 10 IKEE CCOCCC/N=C(/Nc1ccc(C(=O)O)cc1)N[C@@H](C)CC12CC3CC(CC(C3)C1)C2 65304870 PYTBGZISYBCEOL-ABVOBTCJSA-N 441.616 5.164 30 10 IKEE CCCCCCCCCCCCCC(=O)Nc1ccccc1C(=O)N1CCCCCC1 100442023 SZBURPGTXONQEE-UHFFFAOYSA-N 428.661 7.342 30 10 IKEE CCCCCCCCCCCn1c([C@H](C)NC(=O)c2ccccc2OC)nc2ccccc21 102116011 QHAKJFRHSKDTCS-QFIPXVFZSA-N 449.639 7.067 30 10 IKEE Cc1cccc(N2C(=O)C(=O)/C(=C(\O)c3ccccc3)[C@H]2c2ccc(Br)cc2)c1 102569878 PYMUSMSFXJNWAN-SADKCHQCSA-N 448.316 5.384 30 10 IKEE COc1ccc2c(c1)c(/C=C1\Oc3c(ccc(OC(=O)c4cccs4)c3C)C1=O)cn2C 102735422 PNMFHKOIQLOJIB-NHDPSOOVSA-N 445.496 5.392 30 10 IKEE O=P(/C(=N/c1ccc(Cl)cc1)N1CCCCC1)(N1CCCCC1)N1CCCCC1 103940343 WTPPPBXALHACPX-ZNTNEXAZSA-N 436.968 5.978 30 10 IKEE O=C1/C(=C/c2cc(Cl)ccc2O)S/C(=N/Cc2ccccc2)N1Cc1ccccc1 109630318 SBCWKDXILIQATI-TWDJDDHFSA-N 434.948 5.718 30 10 IKEE N#Cc1cccc(Cn2c(-c3ccc(Cl)cc3)nc3sc4c(c3c2=O)CCCC4)c1 169904795 DBRJQKVFJCNRTG-UHFFFAOYSA-N 431.948 5.577 30 10 IKEE CCCN1C(=S)N[C@@H](c2ccc(OCc3cccc(Cl)c3)cc2)C2=C1CCCC2=O 169930111 WBPLHQAPPRVHDA-QHCPKHFHSA-N 440.996 5.567 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccc(C)cc2C)c1 169935444 KRDAUXIGVBULNF-RUZDIDTESA-N 441.527 5.712 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2cccc(C)c2)cc1 169969046 IMKNUIRFBAOMMA-RUZDIDTESA-N 427.500 5.106 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2cccc(C)c2)c1 169971322 UBVFBSNRWTYTGD-QFIPXVFZSA-N 435.426 5.065 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@@H]2c2cccnc2)c1 170008130 QUTBACXYPBUYFL-RUZDIDTESA-N 434.495 5.635 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(OC)cc2)=C(N2CCCc3ccccc32)C1=O 170030522 ZOVYLLMMOMYXDL-UHFFFAOYSA-N 446.591 5.588 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(C)o2)cc1 170101449 FOAKDCHMNBDISM-OAQYLSRUSA-N 437.879 5.423 30 10 IKEE Cc1ccc(C2=C(Nc3cc(Cl)ccc3C)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1C 170117141 LXZHRSSEFKQHBK-UHFFFAOYSA-N 441.918 5.534 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 170142430 PQOCIEZCKKUEDF-DEOSSOPVSA-N 434.451 5.396 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@H]1c1cccc(C)c1 170147534 GNNKVNNEUVPNNS-OAQYLSRUSA-N 427.928 5.426 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@@H]1c1ccccc1 170225266 BJXPEAUWHOBWIC-XMMPIXPASA-N 443.499 5.104 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2ccccc2)ccc1Cl 170227335 JUYVPUBTEONRFH-JOCHJYFZSA-N 449.890 5.140 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccccc2)cc1 170228422 LKIWJZSTQJYCAF-RUZDIDTESA-N 434.495 5.220 30 10 IKEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(F)c4)[C@@H]3c3ccc(F)cc3)ccc2O1 170238381 ABLNKIIGIHDHHO-LFVRLGFBSA-N 447.437 5.071 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2F)c1 170253461 NAPUMILCCSVRTJ-QHCPKHFHSA-N 437.511 5.381 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1cccc(O)c1)c1ccc2ccccc2c1 170257907 BMKPUSUASPJYBT-XMMPIXPASA-N 439.442 5.467 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1cccc(O)c1 170263571 IUOHZAQJQNSUOR-HSZRJFAPSA-N 437.536 5.256 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2C)c1 170272372 CEYSLKFWYNRBEK-RUZDIDTESA-N 441.527 5.875 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)cc2OC)[C@@H]1c1ccccc1C 170276661 BBYYJUAXDVMPGT-NRFANRHFSA-N 443.927 5.044 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@H]1c1ccc(C)o1 170302008 KCKVYYINLJXMKC-QHCPKHFHSA-N 445.515 5.613 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2ccc(Cl)cc2)o1 170303141 NTUDIRVYCZPJSF-HSZRJFAPSA-N 443.886 6.178 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2ccc(C)o2)cc1 170304189 KQGDNHLUJSVDDI-HSZRJFAPSA-N 447.487 5.168 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Br)ccc3o2)[C@@H]1c1ccc(C)o1 170309752 LQKMHJCMJZKSSH-SFHVURJKSA-N 444.281 5.085 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@H]1c1sccc1C 170318902 LPEICUHBWBVRMY-IBGZPJMESA-N 427.566 5.351 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cn(C)c3ccccc23)c1 170393965 FYBXIWGJDAJOCN-JOCHJYFZSA-N 444.512 5.031 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Oc3ccccc3)cc2)[C@H]1c1cccs1)c1ccco1 170476867 UEOFUODCNWRFDN-QFIPXVFZSA-N 443.480 5.916 30 10 IKEE Cc1ccc(C=Nc2ccc(-c3ccc(N=Cc4ccc(C)s4)c(C)c3)cc2C)s1 252622007 NMLKIBAQXDTWCF-UHFFFAOYSA-N 428.626 8.211 30 10 IKEE Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(N=Cc3ccc(Cl)cc3Cl)cc1)N2 254372392 JAHNEERZSBIKFN-UFPGJGBJSA-N 433.382 7.879 30 10 IKEE COc1ccc(C=NN=C2CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)cc1OC 254824745 KJCBMTPITIADGL-MTPWMDRRSA-N 432.564 5.741 30 10 IKEE CCCCCCCCCC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Br 405915235 JJNAZZVCDTVFRR-UHFFFAOYSA-N 426.395 7.120 30 10 IKEE C=C(COCCC)[C@H](NCCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 407087655 KNFALKGYQCPTFP-IBGZPJMESA-N 441.410 5.820 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccs2)cc1OC 526605190 NQBRDOYBUVSXDB-QFIPXVFZSA-N 432.501 5.084 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)c(F)c2)cc1 526709049 CIVCZQLAQOQNPJ-QHCPKHFHSA-N 449.453 5.537 30 10 IKEE COc1cccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccccc2)c1OC 526799751 JAJYTDGRJMSPAW-ONUIUJJFSA-N 444.560 5.061 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1c(C)n(CC)c2ccccc12 526811728 QZYKTIYTWVZMEV-YUMHPJSZSA-N 445.636 6.305 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@H](C#N)c1ccc(Br)cc1Cl 698423135 GDOONCSJCAUNNJ-GOSISDBHSA-N 435.749 6.104 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@H](C#N)c1ccc(Br)cc1F 698960344 WRPWUFGMBZZUNU-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@@H](C#N)c1cc(Br)ccc1F 698967019 PKTJKAAIJKWWCF-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@@](C)(C#N)Cc1ccc(Br)cc1 710783235 ATXOLBDRHPZDBV-OAQYLSRUSA-N 449.776 6.369 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(F)(F)F)nc2O)ccc1OCc1ccccc1 731565011 XSOBGILRYXFQMH-JXMROGBWSA-N 429.394 5.290 30 10 IKEE Cc1cc(C=Nc2cc(C(=O)O)ccc2Cl)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 1083940569 ZIVLHVZBQRBNCC-UHFFFAOYSA-N 431.275 5.548 30 10 IKEE Cc1ccc(N=C2C(=O)N(CN(C3CCCCC3)C3CCCCC3)c3ccccc32)c(C)c1 1084293963 SCAWRJAKZPWUAQ-UHFFFAOYSA-N 443.635 6.696 30 10 IKEE CC(C)(CSc1c(F)cccc1F)C(=O)NCc1c(F)c(F)c(F)c(F)c1F 1088686857 RZXJXDRAURWFGM-UHFFFAOYSA-N 425.369 5.095 30 10 IKEE O=C1N=C(NN=Cc2ccccc2)S/C1=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 1772724408 SYJDLAVALMEKLP-WMYOOKMUSA-N 442.327 5.847 30 10 IKEE O=C1/C(=C/c2ccccc2[N+](=O)[O-])SC(=Nc2ccncc2Cl)N1C1CCCCC1 1772738150 SCYBIPRBKFLNQC-MPZUNYIRSA-N 442.928 5.580 30 10 IKEE Cc1ccc(-c2cc3ccccc3oc2=NN=C2SCC(=O)N2c2ccccc2)cc1 1772743032 AWODPHIYTIHPHG-UHFFFAOYSA-N 425.513 5.360 30 10 IKEE O=C1/C(=C\c2ccccc2O)SC(=NN=C/C=C\c2ccccc2)N1Cc1ccco1 1772759246 OHXAKHBGIKAREN-LVEJOBKSSA-N 429.501 5.157 30 10 IKEE CCCCCCn1c2ccccc2c2nnc(NN=Cc3ccc(Cl)c(Cl)c3)nc21 1772764672 AGKOAINSFHDNMX-UHFFFAOYSA-N 441.366 6.313 30 10 IKEE COC(=O)c1ccc(NC2CCCCC2)c(Nc2nccc(-c3ccccc3)c2C#N)c1 1859860666 PJWYPQBUTCQYDN-UHFFFAOYSA-N 426.520 5.895 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@@H]1c1ccccc1 1862390219 YFUWMUQGMXCHAT-VWLOTQADSA-N 449.591 5.814 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(Cl)cc1 1862463718 KFXYGNZWYQRSCQ-IBGZPJMESA-N 437.845 5.382 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cccc(Cl)c1)c1c(F)cc(F)cc1F 1862464301 SVMIBXKLTLHNCU-LJQANCHMSA-N 435.829 5.278 30 10 IKEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2C)cc1 1862475699 SDTFITNQYVFBAN-VWLOTQADSA-N 441.527 5.133 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 1862491852 DACQTFZROVFDDH-OAOOKAIFSA-N 448.519 5.369 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc3cc[nH]c3c2)ccc1F 1862504604 YANXHPYDYBNZPM-JOCHJYFZSA-N 446.503 5.455 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cc(Cl)cc(Cl)c2)ccc1F 1862507855 APDJRMXYAGNJBP-HXUWFJFHSA-N 448.321 5.962 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccccc2F)cc1 1862530595 TWIRVUUDUYMDMG-XMMPIXPASA-N 447.481 5.348 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc(C(C)C)cc2)cc1 1862535364 YOWFKBANJLDRLD-LNXUECGXSA-N 445.603 6.529 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2C(C)C)cc1 1862540061 FMUIGKKQAYVFDB-XMMPIXPASA-N 435.564 5.805 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1862540290 KIUYCGHGTXWOPT-FQEVSTJZSA-N 442.899 5.045 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862560325 HIDOXJMGQWZDLB-XMMPIXPASA-N 444.506 5.310 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(C(C)(C)C)cc1 1862562134 YLZGMDKYIOXFAC-OUPRXKBMSA-N 446.591 5.723 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C(C)C)cc1 1862584304 VJBLYPSBAQMNJO-FQEVSTJZSA-N 432.347 6.104 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)c1 1862614069 XERQVGPBMPOXLP-RZPHLTDDSA-N 445.603 6.450 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C(C)(C)C)cc3)[C@@H]2c2ccccc2)c1 1862615573 NBCIQEBOUHEOKK-VWLOTQADSA-N 439.555 6.071 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cccc(Cl)c1)c1cccc2ccccc12 1862652687 JNLVEKAYFKXQSY-XMMPIXPASA-N 445.946 6.404 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)c1 1862659960 GXOBAAXZKYSXIV-FNZWTVRRSA-N 439.555 6.458 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccc(C)c1 1862660340 KTRKMANTOWYSOZ-AREMUKBSSA-N 447.619 7.057 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(C(C)C)cc2)=C(O)C(=O)N1Cc1ccc(F)cc1 1862660506 NAHNXXXWPOZDNQ-RUZDIDTESA-N 443.518 6.036 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 1862666988 PWWUJGXCXUENIC-GAJHUEQPSA-N 435.564 5.067 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 1862673824 OYEIWRXXWUXIIY-UNMCSNQZSA-N 427.491 5.902 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc(Cl)c1 1862675885 VWDBOVUTDZOPJZ-QFIPXVFZSA-N 443.946 6.418 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(F)cc2F)cc1 1862691638 RBFWTUREPNLBDJ-JOCHJYFZSA-N 441.474 5.275 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2cccc3ccccc23)cc1 1862692567 ORPAYPZMRVHPTM-SANMLTNESA-N 449.506 5.627 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccccc2)c1 1862713451 OZCZNPVSTWVKAT-MHZLTWQESA-N 447.534 6.235 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1 1862725098 AWGKHSSTNMWCFJ-HSZRJFAPSA-N 429.903 5.748 30 10 IKEE CCCCCCN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(OCCC)cc2)C1=O 1863343607 GQXPGMYZGYITDN-UHFFFAOYSA-N 431.536 5.119 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccc(C#N)cc3)C(=O)N(C3CCCCCCC3)C2=O)c1 1863401624 DELSOJSPHJVZOV-UHFFFAOYSA-N 427.548 5.480 30 10 IKEE C=CCOc1ccccc1/C=C1/C(=O)N(c2cccc(Cl)c2)N=C1c1ccc(OC)cc1 1865666434 KUZFXMKPJOOPKQ-XQNSMLJCSA-N 444.918 5.748 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)/C=C/c2ccc(-c3cccnc3)cc2)c1 1866181936 ZUYBXVCXUQOWOU-GXDHUFHOSA-N 443.506 5.812 30 10 IKEE CCCC[C@@H](NC(=O)C[C@H](c1ccc(F)c(C)c1)C(C)C)C(=O)Nc1ccccc1C#N 1866766408 NEWZCUCYZJCPAQ-XUZZJYLKSA-N 437.559 5.449 30 10 IKEE C=CCOc1cn(Cc2ccccc2C)c(CSc2nc3ccccc3s2)cc1=O 1870244567 WQZRQEKFJFBMSU-UHFFFAOYSA-N 434.586 5.672 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(C)cc2)c(CN2C[C@H](C)O[C@H](C)C2)cc1=O 1870416648 IGGGVENZLBKRCK-ZRZAMGCNSA-N 440.628 5.163 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)OCCCCC)c(=O)cc1CN(C)C 1870421253 DKCCAZSCMPEFJS-UHFFFAOYSA-N 436.637 5.163 30 10 IKEE C=CCOc1cn(CCc2ccc(OCC)c(OCC)c2)c(CNc2ccccc2)cc1=O 1870811578 BPLXDMPSPNXOJS-UHFFFAOYSA-N 448.563 5.065 30 10 IKEE Cc1ccc(C)c(CN2COc3c(cc4c(c3C)O/C(=C\c3cccc(F)c3)C4=O)C2)c1 1871356089 UWCOWVWJENAXAW-MYKKPKGFSA-N 429.491 5.719 30 10 IKEE COc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3cccc(C)c3)C4)C2=O)cc1 1871359070 HNXKLWDIKMZYCH-MSXFZWOLSA-N 427.500 5.280 30 10 IKEE Cc1ccc(CCC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1 1871367459 MRNNGWIRNWDSJR-UCQKPKSFSA-N 443.455 5.366 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)CC1 1871382734 CMXJCOSVQPTXEV-PKAZHMFMSA-N 446.587 7.328 30 10 IKEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(F)cc1 1872018451 JRXVYGBQTSITFY-QFIPXVFZSA-N 446.588 5.107 30 10 IKEE C=CCN([C@@H](C(=O)Nc1cccc(Cl)c1)[C@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872246560 JDUAYJSYGYGCJJ-OPAMFIHVSA-N 449.016 5.187 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Cl)c(C)c1)[C@@H](C)CC)S(=O)(=O)CCCC 1872315965 UYJMZSKXKFKUOD-OXJNMPFZSA-N 429.026 5.010 30 10 IKEE Cc1cccc(C)c1OCCCC(=O)[C@H](C#N)c1nc(-c2ccc3ccccc3c2)cs1 1872759994 FAARFJIIRBOTND-QHCPKHFHSA-N 440.568 6.616 30 10 IKEE CC(C)(C)c1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4ccccc4oc3=O)n2)cc1 1872773693 VEUORJOOLSBBIB-IBGZPJMESA-N 428.513 5.704 30 10 IKEE N#C[C@H](C(=O)c1ccc(Cl)s1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872779110 BRSAYDMSDFPTMV-QGZVFWFLSA-N 436.945 6.807 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)C34CC5CC(CC(C5)C3)C4)n2)cc1C(C)C 1872780010 XQKIJPQJPPPEFW-LBEMBMLNSA-N 448.632 6.643 30 10 IKEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(Cl)c(Cl)c3)n2)cc1C 1872783306 WKDFNZRXRLCQPQ-JZLODUJNSA-N 427.356 6.623 30 10 IKEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)Nc3ccc(N(C)C)cc3)cc2[nH]1 1872807488 PTTCQTGVSAHEQU-UHFFFAOYSA-N 442.519 5.025 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H]2CCCC[C@H]2C)=C(c2ccccc2[N+](=O)[O-])C1=O 1873139840 GEHBPFUHSCSURJ-QUCCMNQESA-N 441.572 5.204 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2OCCCC)=C(c2c(Cl)cccc2Cl)C1=O 1873289384 KKXWIHMODASYAP-UHFFFAOYSA-N 445.346 5.550 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C(C)(C)C)cc2)cc2c(N(CC)CCCC)ncnc21 1873654859 ZTKLKMBQOPTAHY-UHFFFAOYSA-N 433.600 5.794 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1cn(C)c2ccccc12 1874265136 XRJYBJQDUHHUSS-ZMOGYAJESA-N 439.972 5.387 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2ccccc2)n1/N=C/c1c[nH]c2ccccc12 1874375678 IPKXQNONFUWCBQ-LQKURTRISA-N 441.535 5.664 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2ccc(F)cc2)nnc1[C@@H](C)c1ccccc1 1874394617 QXTVKAAIMZODHU-NLTKLDOMSA-N 446.551 5.752 30 10 IKEE Cc1ccccc1CSc1nnc(CC2CCCCC2)n1/N=C/c1ccc(C(C)C)cc1 1874406256 KZRBTBMFKJCWLM-MTDXEUNCSA-N 446.664 7.007 30 10 IKEE Cc1cccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2cccc([N+](=O)[O-])c2)c1 1874406825 VDJGATLXBPSWLJ-PCLIKHOPSA-N 449.580 5.792 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(SCc2ccc(F)cc2)nnc1-c1ccccc1 1874426650 RWCCSMILJQFBJI-JVWAILMASA-N 446.551 6.046 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2[C@H]2CCCO2)c1 1874451231 UZWOPYWAPLZYRB-LSCMLXDISA-N 442.972 5.356 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(C2CCCC2)n1/N=C/c1cccc(C)c1 1874452039 AJVCKWFWLFSLOG-WGOQTCKBSA-N 447.608 5.420 30 10 IKEE CC(C)COC(=O)CSc1nnc(C2CCCC2)n1/N=C/c1cccc2ccccc12 1874457326 LGFCXDQAFLPSLJ-AFUMVMLFSA-N 436.581 5.262 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1ccc(OC)c(OC)c1 1874476215 JXEOVQBGLVLIDZ-MFKUBSTISA-N 438.597 5.429 30 10 IKEE Fc1ccc(CSc2nnc(C3CCC3)n2/N=C/c2c(Cl)cccc2Cl)cc1 1874494639 BSDREKNTHLOTQC-BHGWPJFGSA-N 435.355 6.166 30 10 IKEE Clc1ccccc1CSc1nnc(C2CCC2)n1/N=C/c1cccc2ccccc12 1874496131 WINVCFRHXGFDCX-CVKSISIWSA-N 432.980 6.527 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1cccc(F)c1)c1ccc(Cl)cc1Cl 1874573201 ANWLGMWRJJDQHU-XBXARRHUSA-N 435.709 7.261 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1 1874583124 XKZAXQAQNKWLKQ-RIYZIHGNSA-N 439.382 7.766 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1cc(Cl)ccc1OCc1ccccc1 1874586933 MDNQILZWCOYCKY-VQHVLOKHSA-N 447.745 7.131 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OCc1c(F)cccc1Cl 1874594460 LIOIVVNXFMZOKZ-ZRDIBKRKSA-N 426.871 5.971 30 10 IKEE O=C(/C=C/c1cccc(OCc2cccc3ccccc23)c1)c1ccc(Cl)c(Cl)c1 1874596298 LJMHOKIPWGWISC-SDNWHVSQSA-N 433.334 7.622 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(F)c3)c([N+](=O)[O-])c2)cc1OC 1874603365 UJSIDHJXZBREBZ-RMKNXTFCSA-N 437.423 5.226 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2Cl)cc(OC)c1OCc1ccc(F)cc1 1874608362 KKIDSEFEIUROAC-SDNWHVSQSA-N 436.910 6.691 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2Cl)cc1)c1cccc(Br)c1 1874609860 OBJHXMFFKCAGRZ-JLHYYAGUSA-N 427.725 6.578 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1cccc(C)c1 1874616080 IVVCHNOAPGCHCR-UXBLZVDNSA-N 427.327 6.786 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1 1874616438 ZPZRYJJZWVPGQY-WUXMJOGZSA-N 425.297 6.372 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2Cl)c1 1874618280 SLOOEGSHSPRCNA-PKNBQFBNSA-N 447.962 6.487 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OCc1cccc2ccccc12 1874620047 GEWAYESCRMHXDE-GXDHUFHOSA-N 426.487 6.771 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OCc1cccc(F)c1 1874621894 ALRMAFLXRFPNLK-NTEUORMPSA-N 448.534 6.616 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OCc1ccccc1F 1874622870 ZVAIYRIJTYWPHB-SOFGYWHQSA-N 440.854 5.692 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(OC)c1OCc1ccc(F)cc1 1874625241 SWAUQEBFLLLTMQ-CXUHLZMHSA-N 444.546 7.161 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Cl)c1OCc1ccccc1Cl 1874626326 YSQRTMLKEWLLOH-RMKNXTFCSA-N 449.280 6.755 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)cc([N+](=O)[O-])c1OCC 1874628818 XODLPKBXXSJNIF-VOTSOKGWSA-N 440.279 5.604 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OCC(=O)Nc1cccc(C)c1 1874633249 STWPOMZQUNLMQG-FMIVXFBMSA-N 429.516 5.534 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3ccc(C)cc3C)c2)cc1F 1874707148 QVYCWVZUFGIDPW-CSKARUKUSA-N 434.463 5.332 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc1OC(=O)c1cccnc1 1874715279 LTJBXKGESYSTPZ-SOFGYWHQSA-N 437.879 5.176 30 10 IKEE CC(C)CC(=O)Oc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1Br 1875096351 JSHJFYVWVDTRDX-YRNVUSSQSA-N 437.333 6.450 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)c(F)c3F)c(OC)c2)cc1 1875102160 ZGEFEAAVKBMKOT-WUXMJOGZSA-N 440.417 5.790 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OC(=O)c1ccc(N(C)C)cc1 1875115228 SEYUXYYNNOBGIT-OMCISZLKSA-N 445.515 5.275 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3ccc(/C=C/C(=O)c4ccc(Cl)cc4)cc3)c(C)c2c1 1875123239 YCFDQWGLIKUFGE-MKMNVTDBSA-N 429.903 6.553 30 10 IKEE COc1ccccc1CCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2ccccc2)cc1OC 1875127995 IWDMLGJLKZPIJL-FYWRMAATSA-N 446.499 5.147 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3C)c(Cl)c2)ccc1F 1875141617 MYNAJLYHQODKDF-KPKJPENVSA-N 436.910 6.530 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1Cl 1875158316 PPHKIXZKFSCTEW-NTUHNPAUSA-N 438.882 5.922 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)[C@@H](C)c1ccccc1 1875158733 KOMPYGYMKXEYDZ-SKTWIKFTSA-N 444.502 6.168 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)cc2F)c([N+](=O)[O-])c1)c1ccc(F)cc1 1875159880 PGXUOQTXZLZGRM-XLUWADSXSA-N 427.334 5.127 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)c1cccc(F)c1 1875175178 CEAKETYSCQCMTD-PKNBQFBNSA-N 434.463 5.575 30 10 IKEE CC[C@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1880062878 CDVANYGDEITHLN-NTKDMRAZSA-N 429.561 5.105 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)NCC 1922054208 INJUDYSVKONXLU-TZRRMPRUSA-N 430.633 5.601 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1csc(I)c1 1922067404 BDBUQFWXWVGJCG-GOSISDBHSA-N 427.351 5.166 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CC[C@H](CCC)CCNC(=O)OC(C)(C)C)NCCC 1922078315 VSYJPQDEXYIYOE-UKILVPOCSA-N 446.676 6.239 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2 1922086536 RAUMPEBFRJBWIY-RUZDIDTESA-N 436.596 5.798 30 10 IKEE C=C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)([C@@H](C(=O)O)C(C)C)C(C)(C)C 1927528052 IAFQREWMXYNOOA-YIXXDRMTSA-N 435.564 5.853 30 10 IKEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1930347758 FYYUJTIJDZKSQH-CJFMBICVSA-N 443.588 5.353 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@H](C#N)[C@@]1(C)CCCN1C(=O)OC(C)(C)C 2020804268 NSWFCUVYIDVAQL-WZONZLPQSA-N 449.979 5.763 30 10 IKEE C=CCCCCCCCC[C@@H](O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2026311870 DLMWZZNKZVJPRK-QPTUXGOLSA-N 433.633 6.153 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@H](C(C)C)N(Cc2ccccc2)C1 2029763608 MSOCQZOYWUTQFT-SQHAQQRYSA-N 433.596 5.929 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccccc1Cl)c1ccc(Cl)cc1 2033813045 FHPPISDUSBUTOJ-IBGZPJMESA-N 444.339 5.833 30 10 IKEE O=C(C=Cc1ccccc1OC(=O)c1ccccc1Br)c1ccc(Cl)cc1 2040464817 GGBBMSWLFJOFMQ-UHFFFAOYSA-N 441.708 6.218 30 10 IKEE CC[C@]1(Nc2ccc(C#N)cc2Br)CCCN(C(=O)OCc2ccccc2)C1 2043971110 NEGBSRWQRCKMGB-QFIPXVFZSA-N 442.357 5.314 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1(C)C 2053054739 VPGWIBQLVYQRLM-VOIUYBSRSA-N 447.551 5.400 30 10 IKEE COc1cc(C(=O)C=Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)ccc1O 2053514531 PKYMNHSMEASGPH-UHFFFAOYSA-N 425.824 5.651 30 10 IKEE CC#CCCCC[C@H](NCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2075361504 ZFNJNJNDIBEJNN-RPLLCQBOSA-N 442.644 5.392 30 10 IKEE Cc1cc(C)c([C@H](C2CC2)n2nc(C3CC3)c(/C=N/O)c2I)cc1C 2078994349 NISMJLXZVAKMAT-IBUCALKDSA-N 449.336 5.098 30 10 IKEE Cc1ccc([C@@H](n2nc(C3CCC3)c(C#N)c2I)C(C)(C)C)c(O)c1 2078999123 KUVHDISSITYDSW-GOSISDBHSA-N 449.336 5.276 30 10 IKEE CC[C@@H](c1ccc(C2CC2)cc1)n1nc(C(F)F)c(C#N)c1I 2079091076 WWPCSTCYDTXTLB-AWEZNQCLSA-N 427.236 5.174 30 10 IKEE CC(C)[C@@H](c1ccc(C(F)(F)F)cc1F)n1nc(C2CCC2)c(C#N)c1Br 2079926695 GKMDPAKNPGLNBZ-KRWDZBQOSA-N 444.270 6.188 30 10 IKEE CC[C@@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)(F)F)c(C(=O)OC)c1Cl 2079959974 ZVTYWJYQURCMHL-JTQLQIEISA-N 432.723 5.499 30 10 IKEE COc1ccc([C@H](C2CCC2)n2nc(C(F)(F)F)c(C=NO)c2Br)cc1C 2080004626 DGURYVVYSHKGSZ-HNNXBMFYSA-N 446.267 5.179 30 10 IKEE Cc1cc(O)c([C@H](n2nc(C(F)F)c(C=NO)c2Br)C2(C)CC2)cc1C 2080053414 ILVNEISQVNNVFA-HNNXBMFYSA-N 428.277 5.103 30 10 IKEE CCOc1ccc([C@@H](C2CCC2)n2nc(C3CC3)c(C#N)c2I)cc1 2080095751 RKSXJKZMJGNNFJ-LJQANCHMSA-N 447.320 5.025 30 10 IKEE Oc1c2c(nc3c(-c4c(F)cccc4C(F)(F)F)c(C(F)(F)F)nn13)CCCCC2 2081507252 VQYPIXRSNNBVPL-UHFFFAOYSA-N 433.327 5.548 30 10 IKEE C=CCCCCCCCCC[C@H](CCCN(Cc1ccccc1)C(=O)OC(C)(C)C)NC 2086260664 BTJZVRZSNZHMST-AREMUKBSSA-N 444.704 7.489 30 10 IKEE CC(C)[C@@H]1CC=C(C(=O)c2cc(Br)ccc2I)CC1 2125179596 CNIOTZVOFIXJBX-LLVKDONJSA-N 433.127 5.619 30 10 IKEE CC(C)C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1Nc1ccc(C#N)c(Br)c1 2149850180 GWMVBYGNTVNWJI-QFBILLFUSA-N 436.394 5.404 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)C1(C#N)C[C@H]2[C@H](C1)[C@H]1CC[C@H]2O1 2174481772 YNYVZAZQFPSYME-WNRNVDISSA-N 433.346 5.040 30 10 IKEE CC(C)(C)C1CCC(C#N)(c2ncc(I)cc2Br)CC1 2189899331 BRJZMCJPSAMDNS-UHFFFAOYSA-N 447.158 5.446 30 10 IKEE CC#CCCCC[C@@H](NCCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2196174595 PBLLESOCPQTAPG-LJQANCHMSA-N 437.422 6.421 30 10 IKEE CN[C@H](C#Cc1ccccc1Br)[C@@H](C)CCC[C@H](C)NC(=O)OC(C)(C)C 2235724414 IEQOJFVTFGIGJJ-ABSDTBQOSA-N 437.422 5.108 30 10 IKEE C=C(C)CC[C@H](NCCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237422485 WIRPRLOWODBAHC-VQTJNVASSA-N 439.438 5.609 30 10 IKEE CN[C@H](C#Cc1cccc(Br)c1)[C@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C 2296215970 GFRLESYNLFYXIV-MOPGFXCFSA-N 437.422 5.060 30 10 IKEE C/C=C/C[C@H](NC(=O)OC(C)(C)C)[C@@H](C#Cc1ccc(Br)cc1)NCCC 2296300637 KVJNUYJHFFIKJP-LVHMURGSSA-N 435.406 5.028 30 10 IKEE C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC(=Cc1cccc(Cl)c1Cl)C2=O 2297480273 YGBQOUNQDOEMKJ-QRDUSVRYSA-N 445.430 6.880 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2302574329 NBKKLHGHRIBVCG-XUVXKRRUSA-N 435.609 5.532 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OCc3c(Cl)cccc3Cl)c2C)C1=O 2321779756 BKYLAHSDTBPPQC-UHFFFAOYSA-N 425.311 6.805 30 10 IKEE COc1ccc(CCN2COc3ccc4c(c3C2)OC(=Cc2ccccc2C)C4=O)cc1 2321937479 OWFIUKOMBFLQHX-UHFFFAOYSA-N 427.500 5.014 30 10 IKEE CCCCOCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(C(C)C)cc1)C3=O 2322145426 YSOUKXGCOMGSNO-UHFFFAOYSA-N 449.591 6.093 30 10 IKEE Cc1ccccc1C=C1Oc2c(cc3c(c2C)OCN(CCc2ccc(Cl)cc2)C3)C1=O 2322286626 WMFJLPQWZMSDGT-UHFFFAOYSA-N 445.946 5.968 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1ccccc1F)c1ccc(Cl)cc1Cl 2322390978 BLLZTTHDZPAXFQ-UHFFFAOYSA-N 435.709 7.261 30 10 IKEE Cc1cc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)NCc2ccccc2)ccc1F 2322634693 LWUQUWBOBODKNT-UHFFFAOYSA-N 437.898 5.379 30 10 IKEE Cc1cc(OC(=O)c2ccc(C(C)(C)C)cc2)cc2c1C(=O)C(=Cc1cccc(Cl)c1)O2 2322736753 RSWAMUXZMXBTNF-UHFFFAOYSA-N 446.930 6.781 30 10 IKEE C=C(C)COc1c(C=CC(=O)c2c(C)cc(C)cc2C)cc(Br)cc1OC 2322951197 UCPPAKCXPJGXTD-UHFFFAOYSA-N 429.354 6.234 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2cccc(OCc3ccccc3C)c2)cc1 2323226304 UJAGMISQZPMAJO-UHFFFAOYSA-N 442.599 7.819 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4Cl)ccc3C2=O)cc1 2323302254 HARUJWGUTWTRQZ-UHFFFAOYSA-N 449.846 5.646 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2C)C1=O 2323331910 ASWPMRGGHJQBGX-UHFFFAOYSA-N 445.427 5.056 30 10 IKEE CCCOC(=O)COc1c(Cl)cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1OC 2323417039 BQGKMTKTKFHZCF-UHFFFAOYSA-N 442.939 5.456 30 10 IKEE CCOc1cc(C=Nn2c(S)nnc2C(C)C)ccc1OCc1ccccc1Cl 2323476247 BBGXSLUVKOABGQ-UHFFFAOYSA-N 430.961 5.204 30 10 IKEE CCC(CC)c1nnc(S)n1N=Cc1ccc(OCc2ccccc2F)c(OC)c1 2323486158 RGSPBORPHRGGQB-UHFFFAOYSA-N 428.533 5.079 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)c1 2323486301 ONQHRJCNZMTCKG-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1)Nc1ccccc1F 2323512029 SSDPCHMVDZFIDJ-UHFFFAOYSA-N 444.289 6.046 30 10 IKEE Cc1cc(OC(=O)C=Cc2cccs2)cc2c1C(=O)C(=Cc1cn(C)c3ccccc13)O2 2323524730 XXCIGDMHAFQOQS-UHFFFAOYSA-N 441.508 5.783 30 10 IKEE CCCOc1c(OCC)cc(C=NNc2nc(-c3ccccc3)c(C)s2)cc1[N+](=O)[O-] 2323854290 GRTWPCVMMSOZSN-UHFFFAOYSA-N 440.525 5.660 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OCc1ccccc1F 2323865924 UMFBJYXOWPORCQ-UHFFFAOYSA-N 430.519 6.655 30 10 IKEE O=C(C=Cc1ccc(OCCc2ccccc2)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 2323887707 UUSXKFYIWKRTBX-UHFFFAOYSA-N 442.298 6.419 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OCC(=O)Nc1ccccc1 2323985150 RPRUHYRXIKQDJH-UHFFFAOYSA-N 433.479 5.446 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)ccc1OCC(=O)OC 2324288145 QCWJJABWOKPAEG-UHFFFAOYSA-N 432.472 5.326 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)cc(OC)c1OCc1ccccc1 2324312656 DNWZGIRJQBQDOH-UHFFFAOYSA-N 442.555 6.524 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccc(C(F)(F)F)cc1 2325511772 UOSVDIRSUMDYDB-UHFFFAOYSA-N 432.515 6.122 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(OCCC)cc1 2325513183 PCZACLJOTOKGNM-UHFFFAOYSA-N 426.561 5.723 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(OCC)c(OCC)c1 2325544277 FNBYXGQZPSVTLC-UHFFFAOYSA-N 442.560 5.342 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O)Nc1nc2ccccc2s1 2325589893 VYLYXWUNZRUVGJ-UHFFFAOYSA-N 446.459 5.069 30 10 IKEE Cc1nnc(SCc2ccccc2F)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2325630991 FIKFZXRROJNKSS-UHFFFAOYSA-N 446.507 5.119 30 10 IKEE CC(C)Oc1cccc(C=CC(=O)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 2325669665 GBFRJNXDXLAZRK-UHFFFAOYSA-N 445.359 5.732 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)COCc3ccccc3)c2)cc1C 2325713873 FHOLSCZSELRYQZ-UHFFFAOYSA-N 446.499 5.031 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2cccc(Br)c2)c1)c1cccc(Cl)c1 2325728360 LURVXEHIIQJRSP-UHFFFAOYSA-N 441.708 6.218 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2)cc1 2325750737 CQVQKOVIQKPOJC-UHFFFAOYSA-N 449.890 6.487 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc1OC(=O)c1ccncc1 2325752252 YIKSTJPWHNWIJH-UHFFFAOYSA-N 445.515 5.512 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OC(=O)CCc1ccccc1 2325764343 LVRHPPWRRAKXIH-UHFFFAOYSA-N 428.528 6.055 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1OC(=O)c1cnc(C)cn1 2325772483 DLMWBQKPEIRZJA-UHFFFAOYSA-N 443.286 5.216 30 10 IKEE CCSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1cccc(Cl)c1 2325912126 NGHRCMCRGIRMEN-UHFFFAOYSA-N 441.771 5.812 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(O)c(Br)c1 2326272337 UVDMHKCNWYSEJZ-UHFFFAOYSA-N 449.349 5.012 30 10 IKEE Cc1ccc(COc2ccccc2C=Nn2c(C)nnc2SCc2cccc(C)c2)cc1 2326374903 FLDHAJBSTHSIRD-UHFFFAOYSA-N 442.588 5.957 30 10 IKEE Cc1nnc(SCc2ccc(Br)cc2)n1N=Cc1c[nH]c2ccccc12 2326618069 AVHVZSKJMUHDNY-UHFFFAOYSA-N 426.343 5.005 30 10 IKEE CSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccc(Cl)c(Cl)c1 2327238939 PAEQIYRNJJUXRJ-UHFFFAOYSA-N 435.380 5.693 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccc(Cl)cc3)n2N=Cc2ccc[nH]2)c1 2328036728 ZGSAFLRERXVKSK-UHFFFAOYSA-N 435.984 5.528 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(OC)cc2)n1N=Cc1cccc(OCC)c1 2328576797 QJNXMEUNFLMQJI-UHFFFAOYSA-N 436.581 5.021 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2)n1N=Cc1ccc(C(C)(C)C)cc1 2328754339 CCGSSIYHCQJMSV-UHFFFAOYSA-N 436.625 5.972 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2cccc(F)c2)cc1C 2329422033 MMALTNURWKURAL-UHFFFAOYSA-N 430.552 5.799 30 10 IKEE Oc1ccccc1C=Nn1c(SCc2ccc(F)cc2)nnc1-c1ccccc1Cl 2329539789 ZXXQFJQSDGONSH-UHFFFAOYSA-N 438.915 5.618 30 10 IKEE Cc1cccc(C=Nn2c(CCc3cccs3)nnc2SCc2cc(C)ccc2C)c1 2329663794 RGICJZPHFYBZCY-UHFFFAOYSA-N 446.645 6.225 30 10 IKEE Clc1cccc(CSc2nnc(COc3ccccc3)n2N=Cc2ccccn2)c1 2329923186 ZKJQWEWVHVMZDS-UHFFFAOYSA-N 435.940 5.080 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(O)c(O)c1 2330078897 YCNGBVQPMVUKBJ-INIZCTEOSA-N 448.523 5.155 30 10 IKEE Cc1cccc(CSc2nnc(CC3CCCCC3)n2N=Cc2ccc([N+](=O)[O-])cc2)c1 2330241989 GAOXNLVXKZOTJG-UHFFFAOYSA-N 449.580 5.792 30 10 IKEE CCCOc1c(C=Nn2c(CC3CCCCC3)nnc2SCCC)cccc1OC 2330282129 UQEKRJWXQWUVEX-UHFFFAOYSA-N 430.618 5.583 30 10 IKEE Fc1ccc(C=Nn2c(Cc3cccs3)nnc2SCc2ccc(Cl)cc2)cc1 2330422416 HZQZHHYFMHYNMP-UHFFFAOYSA-N 442.972 5.897 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccccc2)n1N=Cc1c[nH]c2ccccc12 2330458468 BWYPOLAMIOOMCU-UHFFFAOYSA-N 437.572 5.833 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2-c2ccccc2)cc1 2330674812 NNWSOORGPRZGMM-UHFFFAOYSA-N 447.007 6.896 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)CCCC4)cc2)CC1 2330678572 QINDSKMJUVZCIN-UHFFFAOYSA-N 444.615 7.364 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c(OC)c2)cc1OC 2330736385 QQEGNHBMUUKHHY-UHFFFAOYSA-N 426.509 5.484 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)ccc1OC(=O)Cc1ccc(OC)cc1 2330763093 TXSHMBQVUQWHIS-UHFFFAOYSA-N 444.527 5.701 30 10 IKEE Cc1cccc(CSc2nnc([C@@H]3CCCO3)n2N=Cc2ccccc2OC(C)C)c1 2330951437 KZZIIIAHFMFECK-QFIPXVFZSA-N 436.581 5.400 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)C(c1ccccc1)c1ccccc1 2331183593 JQAVEHNJBAQMGA-UHFFFAOYSA-N 448.518 6.329 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1ccccc1Cl 2331286561 JVVQWDUHORVUOJ-UHFFFAOYSA-N 446.930 6.501 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(C)c3)cc2)c(OC)c1 2331332017 WIZDCMFNRLWXBN-UHFFFAOYSA-N 434.463 5.196 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1Cl)c1ccc(F)cc1 2331472498 YLRMAFHRUHMJDH-UHFFFAOYSA-N 430.862 6.748 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 2331510438 JQBDXMPWWWDYST-UHFFFAOYSA-N 445.471 5.842 30 10 IKEE CN(C)c1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CCC2)cc1 2331541769 QLBTZBBLRATGJL-UHFFFAOYSA-N 425.989 5.440 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)c(F)c3)c([N+](=O)[O-])c2)cc1C 2331707245 DORFTHWAVCPLQN-UHFFFAOYSA-N 437.398 5.605 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2OC)ccc1OC(=O)Cc1ccccc1 2331726596 GOADJTCUVNXVFU-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CC(C)(C)C)c([N+](=O)[O-])c2)cc1Cl 2331823453 AIYBNQBGYXKQSE-UHFFFAOYSA-N 431.872 5.495 30 10 IKEE CC#CCN(C[C@@H](NCCC)c1cc(C)c(Br)cc1C)C(=O)OC(C)(C)C 2363128989 NQMFWCPWELZJDZ-HXUWFJFHSA-N 437.422 5.367 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(C)c(C)c(Br)c(C)c1C 2375352690 UMYZSTIUFZKDRK-FXAWDEMLSA-N 439.438 5.803 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@@H](C#N)c1cc(F)c(Cl)cc1Cl 2377420355 QAYOZWHMKKNUIA-KRWDZBQOSA-N 429.706 6.792 30 10 IKEE C=CCOc1ccc(NC(=O)c2cc(Br)ccc2OCCCCCC)cc1 14648205 RRJQYJIRAXJNJQ-UHFFFAOYSA-N 432.358 6.225 30 10 IKEE CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(O)c2)cc1 20885430 LATJSUAWBNBKQF-NGOKVRLYSA-N 438.571 6.669 30 10 IKEE CC(C)Oc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)cc2Cl)cc1 21260695 MGNXNYCFROLECR-DNVCBOLYSA-N 444.358 5.785 30 10 IKEE COc1cccc(COc2ccc3c(c2)O/C(=C\c2cccc(Br)c2)C3=O)c1 33514084 XOBGSABTIVOWAC-UUYOSTAYSA-N 437.289 5.653 30 10 IKEE CCCCOc1ccc(C(=O)/C(=C\c2cccc(OC)c2)c2nc3ccccc3o2)cc1 33618584 KWKADBTYZZWNIH-PTGBLXJZSA-N 427.500 6.439 30 10 IKEE CCOc1ccc(/C=C\C(=O)c2ccc(OC(=O)c3c(OC)cccc3OC)cc2)cc1 34954332 NZBFPUMJQHEHNR-YVLHZVERSA-N 432.472 5.218 30 10 IKEE C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1cc(OC)cc(OC)c1 35847678 AQTBPGABTPVYIP-UHFFFAOYSA-N 436.364 5.747 30 10 IKEE Cc1cc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)O)n2)ccc1OCCC(C)C 39858413 CNHBWNPLJNPEIW-UHFFFAOYSA-N 438.471 5.549 30 10 IKEE C/C(=C1/S/C(=N/c2cccc(C(=O)O)c2)N(C2CCCCC2)C1=O)c1cccc(N)c1 39866883 JNFVDBVYGYFIPO-SYUAUQEVSA-N 435.549 5.294 30 10 IKEE C=CCc1ccccc1OCCCn1c([C@H](C)NC(=O)c2ccco2)nc2ccccc21 40196563 XSDYHMWOBXIJFN-IBGZPJMESA-N 429.520 5.318 30 10 IKEE CCCC/C(C)=N/Nc1nc(SCC(=O)Nc2ccccc2Oc2ccccc2)n[nH]1 59890776 FMXFNTSIBBHENW-PCLIKHOPSA-N 438.557 5.306 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OC(=O)c4ccccc4F)ccc3C2=O)cc1 62883615 MTIQLHBFSLJRLI-IWIPYMOSSA-N 431.463 5.507 30 10 IKEE N#Cc1cc(=O)c2cccc(NC(=O)c3ccc(OCCCCc4ccccc4)cc3)c2o1 72190325 ANMRPVKNZDBSIX-UHFFFAOYSA-N 438.483 5.319 30 10 IKEE Cc1cc(C)cc(/N=C2/NC(=O)/C(=C\c3ccc(OCc4ccccc4C#N)cc3)S2)c1 83308702 AUJXYYKQTNPWDC-ZVHZXABRSA-N 439.540 5.646 30 10 IKEE O=C1CCCC2=C1[C@H](c1cccc(Cl)c1Cl)c1c(nn(-c3ccccc3)c1O)N2 101269218 JKWCLNJHMBMWQA-KRWDZBQOSA-N 426.303 5.449 30 10 IKEE CCCCCCCCCCCCN1C(=O)C2(OCCCO2)c2cc(CCCC)ccc21 101326558 SSKWMLRNSOQQAW-UHFFFAOYSA-N 429.645 6.886 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2cc(C)ccc2C)cc1 169924693 VISGHSHJPCBUHK-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1cccs1)c1ccc(Cl)cc1 169988276 JFGKZAKKFZOJOQ-GOSISDBHSA-N 431.847 5.463 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2cccs2)=C(N2C[C@H](C)C[C@@H](C)C2)C1=O 170017631 GEDGGRGZLWXDFF-WOJBJXKFSA-N 430.658 5.947 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@H]1c1ccncc1 170019113 KBLKRSDUPWPWIE-HSZRJFAPSA-N 432.907 5.145 30 10 IKEE O=C(C1=C(O)C(=O)N(c2nc3cc(F)ccc3[nH]2)[C@H]1c1ccccc1)c1cccc(Cl)c1 170056361 PQNXTXNXZRAIQH-FQEVSTJZSA-N 447.853 5.138 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2c[nH]c3ccccc23)ccc1F 170073695 FUPVZKGCCTWQGY-QHCPKHFHSA-N 444.437 5.537 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1c[nH]c2ccccc12)c1cccc(Cl)c1 170074027 JWPSMOIPTACGIK-JOCHJYFZSA-N 446.865 5.743 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2sccc2C)cc1 170105398 BIYKPGAAJUDMOM-HXUWFJFHSA-N 439.483 5.680 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2sccc2C)cc1C 170106202 FSCSUSMOIBREQO-JOCHJYFZSA-N 443.524 6.202 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2C2CCCCC2)cc1 170114809 JQHXCQQVRUEBRA-DEOSSOPVSA-N 449.547 5.393 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)cc1 170137441 FGSZFJCFYDKUQC-LJQANCHMSA-N 434.319 5.468 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2c2ccc(F)cc2)c1 170140490 OXPQUAVKOXYBPL-DEOSSOPVSA-N 445.490 5.704 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccc(C)c2)cc1C 170142270 DGBWEQAOUCRJCH-VWLOTQADSA-N 441.527 5.712 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1cccs1)c1ccc2ccccc2c1 170155495 YGTYGAOCKDEBGF-JOCHJYFZSA-N 429.472 5.823 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2cccs2)c1 170156175 UKHCZPBKGNNCDE-FQEVSTJZSA-N 434.473 5.056 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2cccnc2)c1 170190282 UVQNDRQMHHASQU-XMMPIXPASA-N 442.515 5.270 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@@H]1c1ccncc1 170202211 SFCFIJHHYUNDFY-HSZRJFAPSA-N 442.515 5.107 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(OCC)cc1 170213620 FZPJLAWUFPZHJY-DEOSSOPVSA-N 433.548 5.343 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCC)cc1 170215785 DAIJMYXFXSQHPQ-DEOSSOPVSA-N 429.516 5.617 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@@H]1c1ccc(O)c(Cl)c1 170219616 RCSBJVXLOFZNKB-FQEVSTJZSA-N 443.927 5.049 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@H]2c2ccccc2)cc1 170224356 CZRMGSMKUGWQFT-DEOSSOPVSA-N 427.500 5.431 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1)c1cc2cc(Cl)ccc2o1 170231570 OOKSBONWZIEYAY-JOCHJYFZSA-N 435.907 5.997 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1cccc(O)c1)c1ccc(Cl)c(Cl)c1 170259228 NEEJEGZFOGKHGX-HXUWFJFHSA-N 440.282 5.482 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc(O)c2)cc1C 170261956 BGPWNBWEXZGJJR-DEOSSOPVSA-N 449.547 5.400 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(CC)cc2)cc1 170266636 RLQYSJIETGIXQS-XMMPIXPASA-N 433.548 5.559 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3cccc(OCC(C)C)c3)[C@H]2c2ccco2)c1 170285536 XIKKSBXFKLPXJO-XMMPIXPASA-N 445.515 5.714 30 10 IKEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(Cl)cc4)[C@@H]3c3ccco3)ccc2O1 170286746 FLPMSBCKUPPCNH-YEJXKQKISA-N 435.863 5.039 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1ccco1 170288057 MKXPLNAOOROOFE-QHCPKHFHSA-N 447.487 5.167 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccco2)cc1Cl 170288292 UZCJMUFWGNBDRA-IBGZPJMESA-N 428.271 5.678 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2Cc2cccs2)o1 170298023 AVOISQAWESOAQG-JOCHJYFZSA-N 433.529 5.307 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2ccc(F)c(F)c2)o1 170299439 NYBAYASECGVFLV-HSZRJFAPSA-N 445.421 5.802 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(C)o2)cc1 170310929 MXEPJGCCBVDALK-HSZRJFAPSA-N 437.536 5.678 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2sccc2C)c1 170314229 PKBVOLHFNVRYRJ-QHCPKHFHSA-N 443.568 6.027 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1Cc1ccco1 170316241 XXTQISKCGAPMOI-FQEVSTJZSA-N 437.517 5.215 30 10 IKEE CCN(CC)c1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2cccc(OC)c2)cc1 170429772 HDPCTQAJMDEHQJ-QFIPXVFZSA-N 436.552 5.057 30 10 IKEE CCc1ccccc1N=C1S/C(=C/c2ccccc2F)C(=O)N1c1ccccc1CC 252603481 FSAUDCMJXZUFGS-KISRHMMLSA-N 430.548 6.759 30 10 IKEE COc1cc(/C=C2\SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc(Cl)c1O 252627159 RNUUUNQDFWLRLC-VASVRFFCSA-N 436.920 5.863 30 10 IKEE C=CCOc1ccc(C=c2sc3nc(-c4ccccc4)c(-c4ccccc4)n3c2=O)cc1 254350312 MCVMEIZKSYOKKH-UHFFFAOYSA-N 436.536 5.203 30 10 IKEE COc1cccc(/C=C2\SC(=Nc3ccc(C)cc3)N(Cc3ccccc3)C2=O)c1OC 254490183 QXCHNEVRCWRNJA-MLSYBWHESA-N 444.556 5.816 30 10 IKEE O=C1C(=Nc2ccc(F)cc2)c2ccccc2N1CN1CCC(Cc2ccccc2)CC1 254812505 IXYNYRDZCVBPMT-UHFFFAOYSA-N 427.523 5.205 30 10 IKEE C=CCCc1ccccc1NC(=O)CCSCc1nc(O)c2c3c(sc2n1)CCC3 504284679 SJHKOZXEVOIHRG-UHFFFAOYSA-N 439.606 5.266 30 10 IKEE CN(C)c1ccc([C@@H]2C[C@]3(C)[C@H](CC[C@@]3(O)CCCO)[C@@H]3CCC4=CC(=O)CCC4=C23)cc1 504820517 IEXUMDBQLIVNHZ-CLPQFWGYSA-N 449.635 5.156 30 10 IKEE biogenic CC(C)COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(F)cc2)cc1 526490150 ZTORBKBBRQRYNH-VWLOTQADSA-N 442.490 5.789 30 10 IKEE Cc1ccc([C@@H]2C(c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526605237 PMQIFHJCJGISCO-AREMUKBSSA-N 438.527 5.959 30 10 IKEE COC(=O)c1ccc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526606915 QBCZMPNPPCYMQU-JOCHJYFZSA-N 444.874 5.055 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(C(C)C)cc1 526774288 UQXGKSBVXKUFBY-XMMPIXPASA-N 445.946 6.555 30 10 IKEE CCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1ccc(N(CC)CC)cc1 526805486 KQFNNYQWRFYRHI-IMRQLAEWSA-N 449.668 6.159 30 10 IKEE Cc1cc(C)cc(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccc(F)cc2)c1 526808986 FEAXFYYYMXWBBV-QRQIAZFYSA-N 444.579 5.994 30 10 IKEE CCCCCCCCCCCCCCCCCOC(=O)/C=C/c1ccc(O)c(OC)c1 642880621 ARMOKSZLJPHRNV-XUTLUUPISA-N 432.645 7.829 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@](C)(C#N)[C@H]1CC2CCC1CC2 698442089 DBBMUMSCABCDFA-WLYLWTSJSA-N 433.390 6.299 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1cnn(C(C)(C)C)c1 698453710 VUHLINZRGXUMMG-QGZVFWFLSA-N 433.350 5.407 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@]1(C#N)CCCN(Cc2ccccc2)C1 698947512 VJQIPTVKTZKVBW-DEOSSOPVSA-N 425.960 5.640 30 10 IKEE C=CC[C@H](C)[C@@H](NCCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 715762583 RFNFCEXVGGHWLV-JTHBVZDNSA-N 429.649 5.126 30 10 IKEE CCCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2cccc(OC)c2)cc1 917612270 NDFNYOSLLNTUBB-UHFFFAOYSA-O 430.553 5.130 30 10 IKEE CC(=C\c1ccccc1)/C=C1/SC(=Nc2cccc(C(=O)O)c2)N(C2CCCCC2)C1=O 1772737896 SJTJAXRHZHWPDL-PPVQHZIZSA-N 446.572 6.268 30 10 IKEE Cc1cccc(N=C2S/C(=C/c3c(F)cccc3Cl)C(=O)N2C2CCCCC2)n1 1772738544 SMRNZNHFWJLGLA-ADKREUBMSA-N 429.948 6.119 30 10 IKEE CCCCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNc2ccccc2)CCC3)cc1 1772750707 HPIHCIMXMLNOSP-UHFFFAOYSA-N 431.536 6.172 30 10 IKEE CCCCCCCCCCCNC(=O)c1ccc(NC(=O)[C@@H]2[C@@H](C)[C@H]2CCCC)cc1 1775995512 QJRJGPHNFPYCFM-FTBPSBKWSA-N 428.661 6.958 30 10 IKEE Nc1ncc(-c2c(F)c(F)c(F)c(F)c2F)cc1-c1c(F)c(F)c(F)c(F)c1F 1848358306 DXYIBLMMTDVTMM-UHFFFAOYSA-N 426.213 5.389 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)N(C)[C@H](C#N)c1cccc(Br)c1 1857960581 NJKMNXNCYQPPGP-CQSZACIVSA-N 428.113 5.101 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc3c(c2)CCCC3)n(-c2ccc(OC)cc2)n1 1862359273 PFRCPWMXLZKCPP-UHFFFAOYSA-N 427.548 5.241 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(Cl)cc2)n(Cc2ccc(Cl)cc2)n1 1862361602 TXCSXRSLESWGSX-UHFFFAOYSA-N 426.347 5.719 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1cccc2ccccc12 1862382255 HJHGAIYYLCZYML-HXUWFJFHSA-N 426.299 5.745 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@@H]2c2c(Cl)cccc2Cl)cc1 1862394873 RDKBOEKNRZEONJ-HXUWFJFHSA-N 432.347 5.934 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@H]1c1ccccc1)c1c(F)cc(F)cc1F 1862455971 HFTWBIMONNFHFU-QFIPXVFZSA-N 441.449 5.573 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(F)cc1 1862457693 VKUDIJZTXKQPLA-NWXLUKJOSA-N 447.428 5.400 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2CC(C)C)cc1 1862462148 VYPRRSWREIFYKL-NRFANRHFSA-N 447.453 5.127 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2cccc(O)c2)cc1 1862475602 QHQNRIHNQSKQFL-DEOSSOPVSA-N 427.500 5.096 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCc2cccs2)c1 1862479154 ZTVWLCHSBNNLMN-HSZRJFAPSA-N 447.556 5.276 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2cccc(F)c2)ccc1F 1862501673 IFJHMQAVDVAGNX-QHCPKHFHSA-N 433.454 5.094 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2ccc(Cl)cc2)cc1 1862515890 GJPLWVUGXDPZEJ-YCRPNKLZSA-N 427.928 5.506 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(C(C)C)cc1 1862534426 RJWWDSFGXGUEJE-XMMPIXPASA-N 435.564 5.377 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(C(F)(F)F)cc1 1862550875 MMKLILYUEUNVQR-FQEVSTJZSA-N 429.438 5.182 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccccc1C 1862613590 KXCHILVQNSMZKR-HSZRJFAPSA-N 435.564 5.297 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862614036 WJEAFBICJMQWRY-RUZDIDTESA-N 445.603 6.594 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2F)cc1 1862663631 VHRQNTVRLDNVJR-QFIPXVFZSA-N 435.520 5.789 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc(Cl)c2)c1 1862700281 CQMVIDSWYJCTBD-OAQYLSRUSA-N 425.912 5.260 30 10 IKEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2ccccc2)cc1 1862730998 KBIDKHXWPWWBRO-CJFMBICVSA-N 449.591 6.413 30 10 IKEE Cc1cc(C2=C(Nc3cccc(Cl)c3)C(=O)N(c3ccccc3C#N)C2=O)ccc1F 1863100261 FOIFCYXWNFHACI-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Oc3ccccc3)cc2)=C(c2cccc3ccccc23)C1=O 1863224201 ORKBMGNIUIICBW-UHFFFAOYSA-N 446.506 6.010 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C(C)=O)c2)=C(c2ccc(C)cc2)C1=O 1863267231 JACREIYDSRWXAW-UHFFFAOYSA-N 432.564 5.750 30 10 IKEE CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C=C/C(=O)c1cccc(OC)c1 1866233165 RGDCLBPZCHESAE-OUKQBFOZSA-N 449.528 5.286 30 10 IKEE CC[C@@](C)(NC(=O)c1ccc(-c2cc3ccccc3[nH]2)cc1)C(=O)Nc1ccc(C#N)cc1 1867064500 SDNUUJRINLYGHH-HHHXNRCGSA-N 436.515 5.244 30 10 IKEE N#C[C@H](c1cccs1)N1CCC(C(=O)Nc2ccccc2Sc2ccccc2)CC1 1868171249 AHRMWGAGZRUYKC-OAQYLSRUSA-N 433.602 5.815 30 10 IKEE CC(C)c1nc(Nc2cccc(C#N)c2)cc(N2CCCc3ccc(N4CCCC4)cc32)n1 1868221700 VXLOOPPHFVHPMJ-UHFFFAOYSA-N 438.579 5.900 30 10 IKEE CCCc1nc(Nc2ccccc2C#N)cc(N2CCS[C@H](c3ccc(OC)cc3)C2)n1 1868398124 JKPXUGHQJIVPCJ-QFIPXVFZSA-N 445.592 5.347 30 10 IKEE C=CCOc1cn(CCC2=CCCCC2)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870245039 VCJASKFHZHDBNW-UHFFFAOYSA-N 449.620 5.788 30 10 IKEE C#CCOc1cn(Cc2ccc(OC)cc2)c(CN(CCCC)CCCCCC)cc1=O 1870561404 LPVFPWAQAQMPSD-UHFFFAOYSA-N 438.612 5.100 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCCCC)cn1CCCCCCCCCC 1870678815 MJIIYXJAHINKDG-UHFFFAOYSA-N 430.677 6.732 30 10 IKEE C=CCOc1cn(Cc2ccccc2C)c(CNc2cccc(C(F)(F)F)c2)cc1=O 1870809783 VQQSTZBMIHEAOJ-UHFFFAOYSA-N 428.454 5.401 30 10 IKEE CCCCCCCOc1cn(CCCOC)c(CNc2ccccc2C(C)C)cc1=O 1870830492 QWGMQRYHUDPQDY-UHFFFAOYSA-N 428.617 5.970 30 10 IKEE C=CCn1cc(OCCCCOc2cccc(C)c2)c(=O)cc1CNc1ccc(C)cc1 1871220832 AJGYLZPAQHOZTQ-UHFFFAOYSA-N 432.564 5.501 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1cccs1)O3)CN(CCc1ccc(Cl)cc1)CO2 1871344667 RDNWCBYNKPLURV-MTJSOVHGSA-N 437.948 5.721 30 10 IKEE CCCCCCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccccc1OCC)C3=O 1871348388 CGOJWVYLLZWHLN-UQQQWYQISA-N 449.591 6.522 30 10 IKEE COc1ccc([C@H](C)N2COc3cc(C)c4c(c3C2)O/C(=C\c2ccccc2C)C4=O)cc1 1871354462 RAFJEQBTIHJDIT-ILRHRSLTSA-N 441.527 5.841 30 10 IKEE COc1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)o2)C3=O)cc1OC 1871366281 BXRFRAZMBUGEMN-LZNIEJQKSA-N 446.455 5.149 30 10 IKEE COc1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccs2)C3=O)cc1OC 1871367027 UTQFRTIJBMAQRB-QXNOIRILSA-N 448.496 5.309 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c2C)C1=O 1871377697 ZDFXZHRWQVZPKD-BESOIZRISA-N 441.439 5.447 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc(OC(=O)c3cccc(OCC(C)C)c3)c2C)C1=O 1871381455 VKDPKADCOOWWJY-XKZIYDEJSA-N 448.540 6.235 30 10 IKEE CCCOc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)c1 1871387712 LEDAZBSSXCTQTG-OYKKKHCWSA-N 428.484 5.928 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccccc4)cc(C)c3C2=O)cc1 1871403831 BCEJADLZNGABTQ-BEXDPUPVSA-N 443.499 5.416 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc(OCCOc4cccc(C)c4)c3C)C2=O)cc1 1871408393 VEZQMJSQOXOLHC-UQQQWYQISA-N 430.500 5.776 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccc(F)c(Cl)c3)ccc2C1=O 1871441220 FNRHBJNIPXHPDO-YVNNLAQVSA-N 437.854 5.421 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1Cl 1871456646 OUPXBYZOEUQVMZ-YVNNLAQVSA-N 437.854 5.421 30 10 IKEE CCCCCCCCN=c1nc(N(C)Cc2ccccc2)[nH]c(=Nc2cc(C)cc(C)c2)[nH]1 1871550646 WTIFJEKNQFKBDS-UHFFFAOYSA-N 446.643 5.485 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(Cl)cc2C)[nH]c(N(CC)CCCC)n1 1871568631 ZPVIDWUJUUNEIW-UHFFFAOYSA-N 447.071 6.398 30 10 IKEE CCCCCCCCCCN=c1nc(N2CCCCC2)[nH]c(=Nc2cc(C)ccc2C)[nH]1 1871671261 VAEKJTWSSRDCJS-UHFFFAOYSA-N 438.664 5.619 30 10 IKEE N#C[C@@H](C(=O)c1ccc(F)c(F)c1F)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872759376 MMVSMYYWBARBED-SFHVURJKSA-N 434.442 6.384 30 10 IKEE CCCCC1CCC(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)CC1 1872761493 OLYXFIOMRSVSAT-FAFZWHIHSA-N 426.582 6.000 30 10 IKEE COc1ccc(Cl)cc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872762698 UQLAQFJZBJWSFO-AWEZNQCLSA-N 437.735 6.269 30 10 IKEE N#C[C@@H](C(=O)CCCOc1ccccc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872769100 JRWZXTVDQWDXBO-INIZCTEOSA-N 431.344 6.152 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccc(Cl)cc3)n2)c(OC)c1 1872784211 QAWDYFANHWJFFR-FZKQIMNGSA-N 442.924 5.124 30 10 IKEE CCCCCCCCNC1=C(c2c(Cl)cccc2Cl)C(=O)N(C2CCCC2)C1=O 1873096388 ZMOIMVJNAMUIMT-UHFFFAOYSA-N 437.411 5.966 30 10 IKEE CCCCCCCCN1C(=O)C(NCCOC(C)C)=C(c2c(C)cc(C)cc2C)C1=O 1873117726 UKXYPIKVDUCXRW-UHFFFAOYSA-N 428.617 5.067 30 10 IKEE CCCCCCCCNC1=C(c2ccc(OC)cc2)C(=O)N(CCC2=CCCCC2)C1=O 1873142816 RTCRUIHANYINNL-UHFFFAOYSA-N 438.612 5.616 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccccc2)C1=O 1873413317 WUVMHSZTBXCANR-UHFFFAOYSA-N 429.564 5.891 30 10 IKEE CCOc1c(/C=N/Nc2oc(Cc3cccc4ccccc34)nc2C#N)cccc1OC 1873463693 MJFFZRLIMYZYSH-JVWAILMASA-N 426.476 5.144 30 10 IKEE CCCCCCCCCCNc1ncnc2c1ccc(=O)n2-c1ccc(Cl)c(Cl)c1 1873537342 MERVSTSFALJZNA-UHFFFAOYSA-N 447.410 6.640 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](C)Oc1ccc2c(CCC)cc(=O)oc2c1C 1873935369 NZNHXVZTKYIUFA-FQEVSTJZSA-N 429.601 6.078 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1ccncc1 1874202950 XCQYCUCUXVYBSO-VULFUBBASA-N 435.597 5.408 30 10 IKEE Cc1ccccc1CSc1nnc(COc2c(C)cccc2C)n1/N=C/c1ccncc1 1874297766 SSABKJGNOZHNPH-JFLMPSFJSA-N 443.576 5.352 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(Cl)cc3)n2/N=C/c2cccs2)c1 1874336564 MBSFNRZRHKMWFR-ZVHZXABRSA-N 439.009 6.067 30 10 IKEE CCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc(N(CC)CC)cc1 1874339744 JMBVZVMAOWQPII-LFVJCYFKSA-N 428.005 5.363 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1cc(OC)ccc1OC 1874358342 BVNGXWJXCJILAO-AFUMVMLFSA-N 436.581 5.053 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2Cl)n1/N=C/c1ccccc1 1874395912 YKEDEJBUBBMTAM-CVLFLDGLSA-N 432.980 6.258 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(CC(C)(C)C)n1/N=C/c1cccc(C)c1 1874437260 SANNFFQYRJYOHG-WGOQTCKBSA-N 449.624 5.351 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@H]3CCCO3)n2/N=C/c2ccc(Cl)cc2)c1 1874445858 MRRUIWSAAZWBCD-FINLKQIMSA-N 426.973 5.574 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874476871 WZWQGXJTKSARPP-LGJNPRDNSA-N 436.478 5.953 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)C)n2/N=C/c2c(F)cccc2Cl)c1 1874489673 FCTUBDPKZCHCHP-BRJLIKDPSA-N 430.980 6.060 30 10 IKEE CCCCCOc1ccc(/C=N/n2cnnc2SCc2ccccc2F)cc1OC 1874538784 WLWIXEJVHKIVHR-AFUMVMLFSA-N 428.533 5.169 30 10 IKEE CC(C)(C)c1ccc(OCCCc2nnc(S)n2/N=C/c2cccc3ccccc23)cc1 1874570797 JLWLIGHDAHLXLV-OVVQPSECSA-N 444.604 5.911 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccccc2)c1OCC(=O)NC1CCCCC1 1874578517 RQKFZJHUIJTZHQ-OUKQBFOZSA-N 427.928 5.072 30 10 IKEE CCc1ccc(NC(=O)COc2ccc3ccccc3c2/C=C/C(=O)c2ccc(C)cc2)cc1 1874579309 HSNUBAAZQWIHFM-ISLYRVAYSA-N 449.550 6.624 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(Cl)ccc1OCC(=O)Nc1nccs1 1874581049 UCBHEVNFOGUNTC-GQCTYLIASA-N 442.924 5.027 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1)c1ccc2c(c1)OCCO2 1874597138 WLGURWGYIDHZQE-VMPITWQZSA-N 441.310 6.240 30 10 IKEE COC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1OC 1874601368 HYOAYMNLJXLZCP-MDWZMJQESA-N 436.891 5.464 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)ccc1OCc1cccc(C)c1 1874604587 VQYNJGKUEROEMJ-FMIVXFBMSA-N 432.516 5.886 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 1874614702 PJOWZLXKMMPPBS-FMIVXFBMSA-N 427.327 6.867 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OCC(=O)NCc3ccccc3)c(Cl)c2)ccc1F 1874618823 UXXJTZOKZFKECK-YRNVUSSQSA-N 437.898 5.379 30 10 IKEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc1OCC 1874634565 IXVGIOAPOUSZKN-VQHVLOKHSA-N 446.927 5.284 30 10 IKEE CCCNC(=O)COc1c(Cl)cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OCC 1874635204 IRYHCILCJFSDGH-CMDGGOBGSA-N 443.971 5.465 30 10 IKEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1OCC 1874638025 DWBFUIIBJVVJNH-WEVVVXLNSA-N 437.319 5.620 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OC(=O)c1ccc(-c2ccccc2)cc1 1874702775 JAAHEWHYWHFCRT-VCHYOVAHSA-N 448.518 6.786 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OC(=O)c1ccc(-n2cccc2)cc1 1874709884 MTRHWJWWSUCVMJ-LNKIKWGQSA-N 441.458 5.740 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(Br)cc3)cc2)cc1 1875103898 WBULSBSFUBKDJF-CXUHLZMHSA-N 449.344 6.056 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)cc2)cc1 1875113091 WABBSVNRVLONJO-GWJBSJSGSA-N 444.527 6.088 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)Cc1ccccc1 1875130992 BZPPZXHSNUJSQG-ZRDIBKRKSA-N 434.919 6.010 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1ccc(F)c(F)c1 1875136427 OJEBLDPSMQUQSY-MDWZMJQESA-N 448.465 6.126 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(Br)c(OC(C)=O)c(OCC)c2)cc1 1875138864 HQEABLYKEUKIRI-IZZDOVSWSA-N 447.325 5.458 30 10 IKEE C=C1CCC(C[C@H](NC)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CC1 1875653644 YTKBVCNQAWNTGT-NDEPHWFRSA-N 441.615 7.242 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(-c4cccc(F)c4)cc3)cc21 1891174193 CTDYDOYGUAHPPJ-UHFFFAOYSA-N 444.506 5.683 30 10 IKEE CCN(CC)c1cccc(OCC#CCNC(=O)c2cc(C(C)C)nc3ccc(F)cc23)c1 1891546819 CFUMIYNGVWUBNR-UHFFFAOYSA-N 447.554 5.156 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1cc(Cl)cc(NC(=O)OC(C)(C)C)c1 1922093634 DZAQLVMNLRIVQZ-QHCPKHFHSA-N 445.003 6.501 30 10 IKEE CC1(C)CC[C@](C#N)(N(CC2CC2)C(=O)OC(C)(C)C)[C@@H](CNC(=O)OC(C)(C)C)C1 1927165135 KQZCTYWOQGFKTM-HOYKHHGWSA-N 435.609 5.247 30 10 IKEE CCC[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 1944858986 GYVSVCDPDYIWKK-MGPUTAFESA-N 449.514 5.105 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CCC[C@@H]2C[C@H]21 1949668493 QMWAXFCRISIQMR-ONJIFJTESA-N 428.617 5.211 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C1 1997231348 UINHZSMLZGXDBU-HOYKHHGWSA-N 435.609 5.486 30 10 IKEE CN(C)c1ccc(C=CC=NN=C2CC[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]23C)cc1 2040465359 KJCIEPRMJJUJPF-WQXTUQMZSA-N 445.695 7.625 30 10 IKEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1C 2045239491 HDTVVNBKYDBRMB-KBMIEXCESA-N 443.588 5.666 30 10 IKEE COc1ccc(N=C2SC(=Cc3ccc(Cl)cc3)C(=O)N2[C@@H](C)c2ccccc2)cc1 2053622515 BTNUFIUQQYFFJK-KRWDZBQOSA-N 448.975 6.714 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)[C@@H]2CC[C@@H]21 2057587412 WJDVHWQQVUFJLM-YDIMBITNSA-N 445.535 5.249 30 10 IKEE CC[C@H](c1ccc(C(F)(F)F)cc1F)n1nc(C2CCC2)c(C#N)c1Br 2079927329 PHKGFDOJFUPPML-OAHLLOKOSA-N 430.243 5.942 30 10 IKEE ON=Cc1c(C2CCC2)nn([C@H](c2ccc(C3CCC3)cc2)C2CCC2)c1Br 2079957006 IUIXBTZVEBFZBP-QFIPXVFZSA-N 442.401 6.378 30 10 IKEE C=CCCCCCC[C@@H](O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2085849442 LCYGIBBRPLAOQZ-XMMPIXPASA-N 444.660 5.824 30 10 IKEE CC1(C)CC[C@@H](Nc2cc(Br)cc(C#N)c2)[C@H](CNC(=O)OC(C)(C)C)C1 2162313222 QVQSSYMLRWNVBK-MAUKXSAKSA-N 436.394 5.452 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(Nc2cc(Br)cc(C#N)c2)cc1 2162387071 JHXIPUQOEHLSBD-RBUKOAKNSA-N 428.330 5.445 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(Nc2cccc(Br)c2)C(F)(F)CC1 2196977501 KRRCAKHVHUWIMW-SFHVURJKSA-N 444.320 5.180 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccc(C#N)cc2Br)C(F)(F)CC1 2197026315 PTXGVEMRIUPBMM-MRXNPFEDSA-N 444.320 5.158 30 10 IKEE CC(C)(C)OC(=O)NCCc1cccc(Nc2cc(Br)c(C#N)cc2F)c1 2204094612 FOXLTYYDBAHQTJ-UHFFFAOYSA-N 434.309 5.271 30 10 IKEE N#CC1(NC(=O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)CCCCCCC1 2243939288 SQWOOMDVWRETSR-UHFFFAOYSA-N 445.563 5.038 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)c1sc(Br)cc1C 2262200257 PPDUFAXTZUURTM-GOSISDBHSA-N 425.344 5.124 30 10 IKEE CCC#C[C@@H](OCCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2262719119 BCHFBRISQQVHQH-AREMUKBSSA-N 429.560 5.665 30 10 IKEE C=C1C[C@H]1C[C@@H](OCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2275878703 QRDBMROWVOPIRU-AZGAKELHSA-N 444.527 5.953 30 10 IKEE CCCCCCCC[C@@H](N)[C@@](C)(O)c1cc(Br)c(Br)s1 2281282833 YVQBQUVJFIWOME-IUODEOHRSA-N 427.246 5.559 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]([C@H](C)CC)N(C)C(=O)OC(C)(C)C 2296221364 HYLICYZNVJCQEY-NSISKUIASA-N 437.422 5.060 30 10 IKEE CCOc1ccc(C(=O)C(=Cc2cccc(OC)c2OC)c2nc3ccccc3s2)cc1 2296729540 WRYNQFBHUANZOU-UHFFFAOYSA-N 445.540 6.136 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C)n2N=Cc2cccc(OCc3ccccc3)c2)c1 2321157725 QNLDNELRYYZGJN-UHFFFAOYSA-N 442.588 5.957 30 10 IKEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2321320092 GLUAJQIQAFQCLC-OBWXTZQISA-N 447.551 5.495 30 10 IKEE CSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1N=Cc1cccs1 2321355593 ZFBINOLBPJIJMW-UHFFFAOYSA-N 427.382 5.262 30 10 IKEE CC(C)[C@@H]1C[C@@](C#N)(Nc2ccc(Br)cc2)CN1C(=O)OCc1ccccc1 2321365049 LUSVKFONQPTDDR-UNMCSNQZSA-N 442.357 5.190 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O3)CN(CCOC(C)C)CO2 2322015353 HBMVKMOMMXGDQS-UHFFFAOYSA-N 448.346 5.495 30 10 IKEE CCCCCN1COc2c(cc3c(c2C)OC(=Cc2ccccc2Br)C3=O)C1 2322346973 JISNVXUJUKAJOQ-UHFFFAOYSA-N 442.353 5.716 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2ccccc2F)c1 2322374095 YMUOVPKBISHMRD-UHFFFAOYSA-N 439.870 5.401 30 10 IKEE Cc1ccc(COc2ccc3ccccc3c2C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1 2322685614 SEQSTMVWTQZVLX-UHFFFAOYSA-N 434.579 7.921 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC)c(OCCO)c2Br)cc1 2323076251 UCWKGGODZZQKCQ-UHFFFAOYSA-N 433.342 5.068 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)CCc4ccc(C)cc4)ccc3C2=O)cc1OC 2323078860 KSPDWSCSCJXSLO-UHFFFAOYSA-N 444.483 5.167 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1ccc(C)cc1 2323379467 ATZJNQBDOWPELQ-UHFFFAOYSA-N 443.499 6.115 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)cc1 2323536448 XDUMSHXNROJRKZ-UHFFFAOYSA-N 441.571 6.560 30 10 IKEE Cc1c(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc2c1OC(=Cc1cccs1)C2=O 2323701847 AKMAGESBKLYGQG-UHFFFAOYSA-N 441.848 5.454 30 10 IKEE CCCOc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2sccc2C)C3=O)cc1 2323831260 MGPDNJDFINPPAA-UHFFFAOYSA-N 434.513 5.989 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OCc1ccccc1C 2323865927 USNVIKFTCPQGKY-UHFFFAOYSA-N 426.556 6.824 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc([N+](=O)[O-])c1OCCc1ccccc1 2323978949 OUYZWMHMYMQUDO-UHFFFAOYSA-N 449.478 5.959 30 10 IKEE Cc1cc(O)c(CN2C[C@@H](C)C[C@H](C)C2)c2c1C(=O)C(=Cc1c(F)cccc1Cl)O2 2324055239 VTIJSDRIDLNVCP-KBPBESRZSA-N 429.919 5.587 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccc2c(c1)OCO2 2324080714 SMFCUSOEXWVSIK-UHFFFAOYSA-N 427.283 6.197 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(C=CC(=O)c3cccc4ccccc34)cc2)c1C 2324128231 RMFIDXGDCUGPFZ-UHFFFAOYSA-N 435.523 6.370 30 10 IKEE COc1c(Br)cc(C=CC(=O)c2cccc3ccccc23)cc1Br 2324129835 UNTLQORVOVXRDZ-UHFFFAOYSA-N 446.138 6.270 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2OC)o1 2324173397 DGCLEHRMMRICNX-UHFFFAOYSA-N 448.515 6.063 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OCC(=O)Nc1ccc(C)cc1 2324184685 GYHJWCPZABZRPV-UHFFFAOYSA-N 449.478 5.065 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2F)c(Br)c1)c1ccc(F)c(F)c1 2324241705 RVKRDDDAJBMVNH-UHFFFAOYSA-N 447.250 6.342 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OCC(=O)Nc1cccc(C)c1 2324261618 RKSIZBFYGRSYPL-UHFFFAOYSA-N 437.442 5.195 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4c(C)cccc4C)ccc3C2=O)cc1 2325141811 WJOQHXPDVRVIIG-LJQANCHMSA-N 427.500 5.634 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccccc1OC 2325571653 YLZQSYHNVROWEC-UHFFFAOYSA-N 435.380 5.721 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1 2325614149 SZXNBLCMDWVDRH-QGZVFWFLSA-N 445.490 5.973 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)CCc3ccccc3OC)c2)cc1C 2325771321 JCRMCGBOFWAFOB-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE CCCOc1ccc(C=Nn2c(C)nnc2SCc2cccc(Cl)c2)cc1[N+](=O)[O-] 2326467587 AIOGHICQRANCNF-UHFFFAOYSA-N 445.932 5.111 30 10 IKEE C=CCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1cccc2ccccc12 2326606472 ADLQMTFJDRZUPS-UHFFFAOYSA-N 448.595 6.530 30 10 IKEE CSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1ccc(Cl)c(Cl)c1 2326960717 JTQCPESHYJVPCR-UHFFFAOYSA-N 435.380 5.509 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccccc3C)n2N=Cc2cccnc2)CC1 2328120760 YKQCLJNGIFURPL-UHFFFAOYSA-N 447.652 6.620 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccc(C)cc3C)n2N=Cc2ccncc2)cc1 2328877235 UHZQFSQOALHEBG-UHFFFAOYSA-N 443.576 5.352 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2N=Cc2ccccc2)cc1 2330032614 DXQNJDUCMSBYJY-UHFFFAOYSA-N 432.980 6.005 30 10 IKEE COc1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2-c2cccs2)cc1O 2330549374 UUYLYAZQQUIXJV-UHFFFAOYSA-N 436.562 5.204 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)c1 2330776880 GYYYDTMOGCALFL-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Br)cc2)ccc1OC(=O)C(C)(C)C 2330894259 IUDHJNWXMOUKST-UHFFFAOYSA-N 431.326 5.695 30 10 IKEE Fc1ccc(CSc2nnc(C3CCCC3)n2N=Cc2ccc(C(F)(F)F)cc2)cc1 2331031686 PJYXNIAGWNXQSD-UHFFFAOYSA-N 448.489 6.268 30 10 IKEE Clc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CCCC2)cc1 2331077606 GUGQPFBVCVMBPA-UHFFFAOYSA-N 431.392 6.417 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccccc2OC)cc1OC 2331081361 QCEDNVHOPYSLQZ-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc([N+](=O)[O-])c1OC(=O)[C@@H](C)c1ccccc1 2331175083 QENAXVLIBZUOHU-SFHVURJKSA-N 445.471 5.599 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc([N+](=O)[O-])c1OC(=O)c1cc(C)cc(C)c1 2331175158 VRXLSFGZJIGFGK-UHFFFAOYSA-N 445.471 5.726 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)Cc1cccs1 2331232023 IJDLOVZESYMJSW-UHFFFAOYSA-N 446.568 6.146 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)CSc1ccccc1 2331350699 MTIJAGZZFTYSCX-UHFFFAOYSA-N 436.504 5.737 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3OC)cc2)CC1 2331351897 KNLCUAJOUJSZCB-UHFFFAOYSA-N 434.576 6.802 30 10 IKEE C=CCSc1nnc(C(C)(C)C)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2331399741 SRPOMZNEPXMCRU-UHFFFAOYSA-N 441.000 5.968 30 10 IKEE CCc1ccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C(C)(C)C)cc1 2331411111 PELIPKXEACJSCO-UHFFFAOYSA-N 447.435 6.619 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccc(Cl)cc3)cc2)cc1F 2331451082 MIMGUAJBNMNGOL-UHFFFAOYSA-N 440.854 5.368 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)c1ccccc1C 2331707976 HUIMLTSDQGQZEJ-UHFFFAOYSA-N 448.946 6.779 30 10 IKEE CC[C@@H](C[C@H](C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339596956 MTVOOFSDOVOIKR-HKUYNNGSSA-N 446.397 5.187 30 10 IKEE CC1(C)OB(C=Cc2ccc(=NCc3ccc(OCc4ccccc4)cc3)[nH]c2)OC1(C)C 2365114968 CYROUPCMLXEGIR-UHFFFAOYSA-N 442.368 5.339 30 10 IKEE N#CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1C(F)(F)F)CCCCC3 20862908 UMXOPNNBFRXWBA-UHFFFAOYSA-N 435.496 5.351 30 10 IKEE C#CCOc1ccc([C@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)csc32)cc1OCC 21157855 UTCNMEYWJZABDN-GOSISDBHSA-N 437.948 5.953 30 10 IKEE Cc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccc(OC(C)C)cc1)C2 21257546 XUTWATVLAMQPGZ-LGGPFLRQSA-N 438.571 6.762 30 10 IKEE COc1ccc(/N=C2/NC(=O)S/C2=C\c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 33568041 UTZIJBGKVAWUGC-WQRHYEAKSA-N 445.327 6.790 30 10 IKEE O=C1/C(=N/Nc2c3ccccc3nc3ccccc23)c2ccccc2N1Cc1ccccc1F 39557512 ZFPXZBBZMQASGF-QVAGMWBUSA-N 446.485 5.890 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)cc(C)c3C2=O)cc1 41288531 HKQWFLFHDXBHCB-IWIPYMOSSA-N 426.512 6.436 30 10 IKEE O=C1/C(=C/c2ccc(O)cc2)S/C(=N/N=C\C=C\c2ccccc2)N1Cc1ccco1 47138714 GSIBOBZPACPVGE-YILWTHJZSA-N 429.501 5.157 30 10 IKEE COc1ccc(CSc2nnc(N/N=C/c3ccccc3OCc3ccccc3)[nH]2)cc1 59019183 PQAYKFIIACRJLE-MFKUBSTISA-N 445.548 5.131 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2cccc(OCCCc3ccccc3)c2)cc1 100239882 QGLOCISIRMXPDD-UHFFFAOYSA-N 445.603 7.300 30 10 IKEE Cc1ccc(S(=O)(=O)/N=C(/c2ccc(Cl)cc2)[C@H](C#N)c2nc3ccccc3[nH]2)cc1 105726849 WEDSNXWNOUSWQX-OHMGWRBWSA-N 448.935 5.010 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OCC(=O)Nc1ccccc1 164030772 OKETWNYHMRSBRX-OQLLNIDSSA-N 429.516 5.732 30 10 IKEE O=C1CCCC2=C1[C@H](c1ccccc1OCc1ccc(Cl)cc1Cl)NC(=S)N2 169938967 HFVCXJYQNLNCMU-FQEVSTJZSA-N 433.360 5.098 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2C2CCCCC2)c1 170039530 FNAGQWQXVITZGF-VWLOTQADSA-N 433.548 5.315 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(O)c(Cl)c2)cc1 170040933 UPMAKBXTQYLZPG-QFIPXVFZSA-N 449.890 5.227 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2ccccc2)cc1 170052350 JHLBDRJFTZDQAR-HSZRJFAPSA-N 447.918 5.830 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccccc2F)ccc1F 170072452 IYRPBOBNMGKSAA-JOCHJYFZSA-N 437.417 5.191 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@H]2c2ccccc2F)cc1C 170072747 OAOWBMRCNPBPAF-QFIPXVFZSA-N 441.462 5.102 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1cccc(O)c1)c1cccc(Cl)c1 170082224 NIQCFJAWBIYOKT-HXUWFJFHSA-N 441.817 5.107 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(Cl)c(OC)c3)=C(O)C(=O)N2c2ccccc2)c1 170117877 KIPAAGHWOORDTN-QFIPXVFZSA-N 449.890 5.140 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc(OC(C)C)c1 170153496 WBJOBGVXQMSGQZ-DEOSSOPVSA-N 429.516 5.615 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2cccs2)c1 170159874 FKQRSUXXBSVVRG-QFIPXVFZSA-N 449.528 5.328 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cccs1)c1cc2cc(Cl)ccc2o1 170164011 ANBGOSVPMNUHGW-FQEVSTJZSA-N 441.936 6.059 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccncc1 170203257 HUHDUQPDGVLWIM-HSZRJFAPSA-N 442.515 5.171 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC(C)C)c3)[C@@H]2c2ccncc2)cc1 170204353 WLZMTNCAAHMUFR-DEOSSOPVSA-N 442.515 5.208 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccccc2)c1 170223884 AVQGVNJWAOUUAG-AVRWGWEMSA-N 439.511 5.410 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccccc2)c1 170225554 RXJNIHZSEGVBPH-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC(C)C)c3)[C@H]2c2ccccc2)cc1 170227073 DUGPFFKWGIAJIY-RUZDIDTESA-N 441.527 5.813 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1ccc(F)cc1 170238831 GXUCGOFXSOVAHL-QHCPKHFHSA-N 445.490 5.542 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@H]1c1ccc(F)cc1 170243148 AKQGJZOSNAJCNU-JOCHJYFZSA-N 439.527 5.510 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccccc1F)c1ccc(Cl)cc1 170246910 DNIJQYCWFPVUEG-LJQANCHMSA-N 427.884 5.319 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccccc1F 170247928 WOQWAMRVSFGOMN-QFIPXVFZSA-N 435.426 5.065 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)c(Cl)c2)[C@H]1c1ccco1 170294847 GKOVGYZZIWFTEA-QGZVFWFLSA-N 438.307 5.364 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1c1cccc(F)c1 170313550 YCRXWWDJHRUAAZ-JOCHJYFZSA-N 447.531 5.857 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@H]1c1sccc1C 170318604 VMPULDLJMAZEBT-FQEVSTJZSA-N 441.593 5.741 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2nc3cc(F)ccc3[nH]2)[C@@H]1c1ccc(C(C)(C)C)cc1 170472454 MAXUZIHRJVUOEG-HXUWFJFHSA-N 449.526 5.515 30 10 IKEE FC(F)Oc1ccc(C=Nc2c(-c3ccc(OC(F)F)cc3)nc3n2CCS3)cc1 254851329 LHTCYTITHFDZQG-UHFFFAOYSA-N 437.418 5.609 30 10 IKEE CCOCCN1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2C)SC1=Nc1ccccc1 263630156 JTKJPGWNQOYENL-VDJURDQESA-N 449.620 5.626 30 10 IKEE CC1(C)OB(c2cc(F)cc(COc3cccc(OCc4ccccc4)c3)c2)OC1(C)C 399183649 UFYJXLZOXUJEFL-UHFFFAOYSA-N 434.316 5.283 30 10 IKEE CCOc1ccc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1OC 526517513 UADAFBZPBZDVSN-QFIPXVFZSA-N 432.501 5.084 30 10 IKEE Cc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(OCC(C)C)cc2)cc1 526608095 DWROJWGMWIUYQQ-SANMLTNESA-N 438.527 5.959 30 10 IKEE CCCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccccc2F)cc1Cl 526802680 KPOXCYBXEFBZGY-CFRMEGHHSA-N 432.952 5.596 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1cccc(C(F)(F)F)c1 526817766 YDSXXVIAEICJIY-MRUKODCESA-N 442.869 5.826 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3)n2/N=C\c2cccnc2)c1 526819169 CYBHENUKHKPMND-PKAZHMFMSA-N 427.577 5.250 30 10 IKEE CSc1cccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)c1 686952483 LTVPIUNISZLOJI-GOSISDBHSA-N 433.371 6.177 30 10 IKEE C[C@H]1N(C(=O)OC(C)(C)C)CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 698834407 XPXLUKCVIQKUPA-WAIKUNEKSA-N 449.979 5.763 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H]([C@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)C1 698869323 LUFUDTOXYBMDJH-HJPURHCSSA-N 433.524 5.106 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2ccc(Br)cc2F)cc1 698954795 CKWCFLSECKJYDK-GOSISDBHSA-N 435.293 5.603 30 10 IKEE C=C1CCC(C[C@H](NCC)c2cc(Br)cc(NC(=O)OC(C)(C)C)c2)CC1 724618457 WHZYFKCLNMYLNK-FQEVSTJZSA-N 437.422 6.583 30 10 IKEE CC(=O)O/N=C1/C=C2CC[C@H]3[C@@H]4C[C@@H]5CCCC[C@]5(C(C)=O)[C@]4(C)CC[C@H]3[C@]2(C)CC1 1076146645 LQJAXDXIQDWPOB-LSYTUJPHSA-N 425.613 6.244 30 10 IKEE CCO/C=N/c1sc2nc(-c3ccccc3)c3c(c2c1C(=O)OCC)CC(C)(C)CO3 1088651715 BBXBNZOIAODUSA-AFUMVMLFSA-N 438.549 5.797 30 10 IKEE NC[C@@H]1CCC[C@@H](CN/C(=N/Cc2ccc(C(F)(F)F)cc2)Nc2cccc(F)c2)C1 1088664515 CTPJRZBGCZENKM-QZTJIDSGSA-N 436.497 5.167 30 10 IKEE C/C=C/C(=O)N=C1SC[C@H](c2ccccc2)N1c1ccc(I)cc1 1088706791 VPNOIMNSBJLNJB-AJZYOKTDSA-N 448.329 5.044 30 10 IKEE COc1ccc(-n2cc(/C=N\NC(=S)Nc3ccccc3)c(-c3ccc(C)cc3)n2)cc1 1857809352 SHDNNWKJVPYLBH-QQXSKIMKSA-N 441.560 5.177 30 10 IKEE N#Cc1c(NC(=O)c2cc(=O)c3ccccc3o2)oc(-c2ccccc2)c1-c1ccccc1 1859744151 SUTPTHGAZZCCQN-UHFFFAOYSA-N 432.435 5.844 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1cccc(Cl)c1)c1ccccc1Cl 1862432958 QWBRSJLJSGCFQC-FQEVSTJZSA-N 439.298 5.167 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862468876 ZRLMQGASLIQKKQ-JLTOFOAXSA-N 442.353 5.388 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862476346 JAXZTMKHAXTYGI-DEOSSOPVSA-N 433.548 5.695 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(N(C)C)cc1 1862478116 ZIGCXNGNBSKUSY-RDGATRHJSA-N 448.607 5.998 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCCC2)ccc1O 1862479760 PNAMFOFUXLPJPY-HSZRJFAPSA-N 435.520 5.010 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862502816 JOJUQSPRPSRWLN-DEOSSOPVSA-N 445.490 5.230 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2cccc(F)c2)cc1 1862529563 HSGHDFAJEFJGKT-OSPHWJPCSA-N 429.491 5.728 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc(OC)c(O)c2)cc1 1862531718 RVSLPBZDEGPLNB-LZBHBKQYSA-N 449.547 5.120 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1cccc(O)c1 1862535061 ZKHVZVLZUKSJMU-ZJSXRUAMSA-N 435.564 5.892 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2c(Cl)cccc2Cl)cc1 1862538473 HTGXKEWCPMGHAR-OAQYLSRUSA-N 446.374 6.180 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccccc1F 1862614654 CEWRLRYEGHQRES-UWSIMGETSA-N 449.566 6.280 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccccc2Cl)cc1F 1862640172 FEVTWGVAUQWZTN-FQEVSTJZSA-N 431.891 5.112 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc2c(c1)CCCN2C 1862659194 ZIRSWQCRBNEGJF-RUZDIDTESA-N 440.543 5.211 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccccc2F)cc1 1862661325 DKWDUWQQWTVJKX-BVZFJXPGSA-N 443.518 6.289 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(F)cc2)cc1 1862662098 HLBUMIMIDPDWTH-HSZRJFAPSA-N 430.479 5.123 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc2c(c1)CCCN2C 1862667806 KNNLOXCFNOSBGL-DEOSSOPVSA-N 432.564 5.181 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccccc1Br 1862669726 CZKCIHWXSILDMQ-FQEVSTJZSA-N 442.353 5.561 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@H]2c2cccc(C)c2)c1 1862699725 XDDKIOHIQXEUMN-VWLOTQADSA-N 441.527 5.133 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 1862705118 QOKHAHGRQQUFLJ-HSZRJFAPSA-N 435.564 5.617 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(N(CC)CC)cc1 1862721985 VBLHFLWGOGIANH-VWLOTQADSA-N 440.543 5.450 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(F)cc1F 1862726041 XLCGNJIOSPLVMX-VOIUYBSRSA-N 447.481 6.009 30 10 IKEE CC(C)(C)c1ccc(NC2=C(c3ccccc3F)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862927041 JGNAVGJUOFRREO-UHFFFAOYSA-N 439.490 5.391 30 10 IKEE COc1ccccc1C1=C(Nc2ccc(C#N)cc2)C(=O)N(c2ccc(C(C)C)cc2)C1=O 1863059510 AGKPEJIYQQIIGC-UHFFFAOYSA-N 437.499 5.087 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)cc2Cl)=C(c2cccs2)C1=O 1863481628 LSNXBTBICRZANX-UHFFFAOYSA-N 434.964 6.093 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCOCCCC)=C(c2cc(C)ccc2C)C1=O 1863741052 HAGAZSHTIFSOEB-UHFFFAOYSA-N 442.644 5.540 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2cccnc2)=C(c2ccccc2OC)C1=O 1863765956 FPGZAWYBZDGYIA-UHFFFAOYSA-N 449.595 5.101 30 10 IKEE C[C@H]1CN(c2cc(Nc3ccc(C#N)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)CCO1 1868553566 XZSHPUBTILSJPZ-SFHVURJKSA-N 427.552 5.281 30 10 IKEE CCCCCCCOc1cn(CCN(CC)CC)c(CN(C)Cc2ccccc2)cc1=O 1870411648 IOZIDXSWZQAWBM-UHFFFAOYSA-N 441.660 5.171 30 10 IKEE CCCCCCCCCCn1cc(OCCCCC)c(=O)cc1CN(CCC)CCCC 1870679144 ZUKUGKPMDKYNGE-UHFFFAOYSA-N 448.736 7.570 30 10 IKEE C=CCOc1cn(Cc2ccco2)c(CNc2cccc(OCc3ccccc3)c2)cc1=O 1870810973 ATQMUBIKUUQGKY-UHFFFAOYSA-N 442.515 5.246 30 10 IKEE CCCCCCCOc1cn(Cc2ccncc2)c(CNc2ccc3cc[nH]c3c2)cc1=O 1870835644 BLJCHMADKVFAFO-UHFFFAOYSA-N 444.579 5.734 30 10 IKEE CCCCCCCOc1cn(CCCO)c(CNc2ccc(C(F)(F)F)cc2)cc1=O 1870837679 SFUUBMHYSJJAAR-UHFFFAOYSA-N 440.506 5.211 30 10 IKEE CCCCCCCCn1cc(OCCCCCC)c(=O)cc1CNc1ccc(C)c(C)c1 1871125063 KBECLBPSKWBMQJ-UHFFFAOYSA-N 440.672 7.397 30 10 IKEE O=C1/C(=C/c2cccc(Br)c2)Oc2c1ccc1c2CN(C2CCCCC2)CO1 1871346319 ZIMFJSKIVPNOEI-MTJSOVHGSA-N 440.337 5.550 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O3)CN([C@H]1CCCC[C@@H]1C)CO2 1871351064 ISTDPIDYWOJCAF-YYZQPQNXSA-N 434.492 5.250 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)c4cccc(Br)c4)ccc3C2=O)cc1 1871364906 ZJCJQKAOWGRLCB-UUYOSTAYSA-N 449.300 5.847 30 10 IKEE O=C1/C(=C/c2ccccc2Cl)Oc2cc(OC(=O)c3ccc(F)c(F)c3F)ccc21 1871370645 WZVBDFUQQSJTBD-NVMNQCDNSA-N 430.765 5.593 30 10 IKEE Cc1c(OC(=O)CCOc2ccccc2)ccc2c1O/C(=C\C=C\c1ccccc1)C2=O 1871384258 UPTYEVQVHPPKPN-GXWRHTCTSA-N 426.468 5.542 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc(OC(=O)/C=C/c3ccccc3)c2C)C1=O 1871385040 BYXLVHGNLVZXPO-WDALZOHFSA-N 426.468 5.629 30 10 IKEE C[C@@H](Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O)C(=O)Nc1ccc(Cl)cc1 1871415117 SZBCWVPRNJYRTL-JCRYTKJOSA-N 437.854 5.501 30 10 IKEE CCCCCCCCCOc1ccc2c(c1C)O/C(=C\c1ccc(OC)cc1OC)C2=O 1871429486 JGEKJLPQTGZMLE-UQQQWYQISA-N 438.564 6.758 30 10 IKEE COc1ccc(-c2c(C)oc3cc(OCc4ccccc4C#N)ccc3c2=O)cc1OC 1871436702 LUZBNFQEXQCHIS-UHFFFAOYSA-N 427.456 5.236 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4c(C)cccc4C)c3C)C2=O)c1 1871440325 JFBKRBHZHVDWOS-UCQKPKSFSA-N 427.500 5.554 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccc(Cl)cc4)c3C)C2=O)c1 1871440749 FVRQHRXYNBQCBY-XKZIYDEJSA-N 449.890 5.291 30 10 IKEE Cc1c(OCC(=O)Nc2c(F)cccc2F)ccc2c1O/C(=C\c1cccc(F)c1)C2=O 1871441138 ZVVJNUHFLIOXHY-JAIQZWGSSA-N 439.389 5.046 30 10 IKEE CCN(CC)C(=O)COc1ccc2c(c1C)O/C(=C\c1c(Cl)cccc1Cl)C2=O 1871461103 VLBMDWYNLUPMMR-ODLFYWEKSA-N 434.319 5.165 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 1872244551 GSHNYYBRLDKHPN-QFIPXVFZSA-N 449.016 5.269 30 10 IKEE CCOc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 1872769478 SOPWIBMJXFZHQI-INIZCTEOSA-N 431.344 5.935 30 10 IKEE Cc1ccc(C)c(-c2csc([C@@H](C#N)C(=O)CCCOc3ccc(C(C)(C)C)cc3)n2)c1 1872771870 DULVNUNBVUNSBE-QHCPKHFHSA-N 446.616 6.760 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)c2c(F)cccc2Cl)n1 1872786003 YSTMWOPGHZXOPF-MRXNPFEDSA-N 426.944 6.699 30 10 IKEE N#C[C@@H](C(=O)Cc1cccc2ccccc12)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872787232 FBDVSIJTNMPQKG-IBGZPJMESA-N 437.351 6.689 30 10 IKEE COc1cc(OC)cc(C(=O)[C@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)c1 1872787656 OUTQCNZXFQMLRU-INIZCTEOSA-N 433.316 5.624 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)c(Cl)c2)cc2c(N(C)Cc3ccccc3)ncnc21 1873660772 RGDUMCGRMDXLCZ-UHFFFAOYSA-N 445.954 5.468 30 10 IKEE CSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1c[nH]c2ccccc12 1874203592 JPWGIWNTSSNEPZ-AUEPDCJTSA-N 432.336 5.249 30 10 IKEE C=CCSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1ccc(F)cc1 1874206762 SDPAJBMSLXJGSF-FOKLQQMPSA-N 437.327 5.463 30 10 IKEE Cc1ccccc1CSc1nnc(CCCOc2ccccc2C)n1/N=C/c1ccc[nH]1 1874249075 LMMZPKZSINXFCC-WPWMEQJKSA-N 445.592 5.409 30 10 IKEE Clc1ccccc1CCc1nnc(SCc2ccccc2)n1/N=C/c1ccccn1 1874278872 HUOQBTMZAHQXIQ-WGOQTCKBSA-N 433.968 5.286 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OCC)cc2)n1/N=C/c1cccc(OCC)c1 1874303590 HMNRVQXKFPJUHA-PCLIKHOPSA-N 436.581 5.217 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2OC)n1/N=C/c1ccc(C(C)(C)C)cc1 1874314522 YMJOTHLZDCXQNN-WPWMEQJKSA-N 448.636 5.920 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2ccc(O)cc2)cc1 1874349202 ZNMZVTLGADAIAF-WGOQTCKBSA-N 444.560 5.066 30 10 IKEE COc1ccc(Cc2nnc(SCc3cccc(C)c3)n2/N=C/c2ccc(C)cc2)cc1 1874350264 CPIVICCXNKTZLI-WPWMEQJKSA-N 442.588 5.669 30 10 IKEE Oc1ccc(/C=N/n2c(COCc3ccccc3)nnc2SCc2ccccc2F)cc1 1874355303 IFLWNQUDWMHFMS-VULFUBBASA-N 448.523 5.014 30 10 IKEE Fc1ccccc1/C=N/n1c(CCc2cccs2)nnc1SCCc1ccccc1 1874371259 QJDKZYSSJAHLCP-KOEQRZSOSA-N 436.581 5.481 30 10 IKEE Oc1ccc(Cl)cc1/C=N/n1c(CCc2ccccc2)nnc1SCc1ccccc1 1874403263 XJVNKAOMKGISAM-WGOQTCKBSA-N 448.979 5.597 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccccc3C)nnc2-c2ccccc2)cc1 1874426046 OEEWOYNVEUHPSO-YZSQISJMSA-N 428.561 5.827 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2-c2ccccc2)c(F)c1 1874430778 XGXHCBKJNHBKNP-LGJNPRDNSA-N 440.906 6.051 30 10 IKEE Cc1cccc(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2ccc(C(C)(C)C)cc2)c1 1874447755 LTRXEJHRNOUYAX-SYOQMXFQSA-N 434.609 5.910 30 10 IKEE Cn1cc(/C=N/n2c(SCc3ccccc3Cl)nnc2-c2ccco2)c2ccccc21 1874466865 GBXQGBLVZMOZLP-DHRITJCHSA-N 447.951 5.858 30 10 IKEE COCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(C(C)C)cc1 1874475438 AEBHQVAHFBUAAJ-DHRITJCHSA-N 446.979 5.557 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1ccc(N(CC)CC)cc1 1874475714 NNKODIBPHCIKPR-NLRVBDNBSA-N 435.641 5.950 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1cccc(F)c1 1874491598 ZEKUSKADRIWGMP-BHGWPJFGSA-N 437.371 6.097 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CC2)c(F)c1 1874520107 BCOOANOTSOMHRK-PGGKNCGUSA-N 439.318 5.915 30 10 IKEE CCc1nnc(SCc2cccc(C)c2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874524468 PNMVFGCELVGBNJ-WPWMEQJKSA-N 442.588 5.902 30 10 IKEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(F)c(F)c1)Nc1ccccc1 1874584901 HIJPCWZBRQBYBF-JXMROGBWSA-N 427.834 5.532 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCCCO)cc1C(C)C 1874585213 NFCQPSUILWTFLC-BQYQJAHWSA-N 432.944 5.446 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCc2ccc(Cl)cc2Cl)c(C)c1C 1874586598 VOVGRAPFNYUGMH-FMIVXFBMSA-N 441.354 7.094 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3cc(C)ccc3C)c(Cl)c2)cc1OC 1874603135 MOFZSCLJBQUACZ-JXMROGBWSA-N 436.935 6.449 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)cc1 1874613767 MFLIPHCUDKKYQN-LICLKQGHSA-N 429.516 5.616 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OCc3c(F)cccc3Cl)c(Cl)c2)cc1 1874623906 BQPQEJVOIJGJOQ-WUXMJOGZSA-N 443.345 7.731 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OCCCO)c([N+](=O)[O-])c2)cc1 1874624628 MTSUMPODCHDGJH-RIYZIHGNSA-N 441.524 5.601 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OCc2ccccc2C)c([N+](=O)[O-])c1 1874629447 DDQNYLFGYRITRS-PKNBQFBNSA-N 431.488 6.004 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OCC(=O)OCC(C)C 1874630622 LEJJBCHPAADIRD-CSKARUKUSA-N 440.536 5.185 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)ccc1OCc1ccc(F)cc1 1874635697 UDYAWMQAEUSDIQ-XNTDXEJSSA-N 446.562 7.305 30 10 IKEE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2cccc(/C=C/C(=O)c3ccc(F)cc3)c2)cc1 1874708488 FTSKLLRNDVNPNX-LRCYMOHKSA-N 432.491 6.218 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](C(C)(C)C)CSc2nnc(Cc3cccs3)n21 1874961231 URXQDJYEROVBGR-GOSISDBHSA-N 434.675 5.666 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(Cl)c1OC(=O)C1CCCC1 1875095352 LUYZSUDLZQLVTP-SDNWHVSQSA-N 448.946 6.884 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3cccnc3)c(OC)c2)cc1 1875107008 VOQCCBBMEIYSME-SDNWHVSQSA-N 445.515 5.557 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OC(=O)c1cccc(OC)c1 1875112237 YCWIFJDYVFCRRW-ACCUITESSA-N 436.891 5.863 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc4ccccc4n3C)c(Cl)c2)cc1 1875114400 RYICWXZMGAAOKD-NTUHNPAUSA-N 445.902 5.956 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3cc(Cl)ccc3Cl)cc2)c1 1875138384 UVGUSNZGADITNL-KPKJPENVSA-N 439.338 6.654 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1ccc(OC)cc1 1875142338 WKWFDPAHKHHZTL-WLRTZDKTSA-N 434.463 5.657 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccccc1Cl 1875150372 KNSMDKCWLXHRNM-OQLLNIDSSA-N 448.946 6.761 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3[N+](=O)[O-])cc2)cc1C 1875186549 AKMYQJVYXVIWOE-JLHYYAGUSA-N 445.471 5.264 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)COc3c(C)cccc3C)cc2)cc1C 1875186645 GKNQCMFTYZSHQW-SDNWHVSQSA-N 444.527 5.809 30 10 IKEE COC(=O)c1cc(N=[N+]=[N-])c(C)c(N(C)C(=O)OCC2c3ccccc3-c3ccccc32)c1 1887521543 ZKHZLOYZTCWBAK-UHFFFAOYSA-N 442.475 6.109 30 10 IKEE O=C(Nc1cccc(-c2ccc(C(F)(F)F)cc2)c1)c1cc(C(F)(F)F)ccc1F 1891349414 IFCIBGVJXHZYQW-UHFFFAOYSA-N 427.319 6.783 30 10 IKEE N#Cc1ccc(CNS(=O)(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)cc2)cc1F 1891723011 HQVDFONUTPDCAB-UHFFFAOYSA-N 435.307 5.150 30 10 IKEE CC1(C)CN(C(=O)OC(C)(C)C)C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C1 1922769164 KSAHTSXBLRZNDB-DEOSSOPVSA-N 429.561 5.357 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(C(=O)OC(C)(C)C)CC(C)(C)C2)cc1 1922769650 PUFPOCAMPYYNNP-RUZDIDTESA-N 443.588 5.666 30 10 IKEE C=C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)(c1ccccc1)[C@@H](C)C(=O)O 1927433884 GVVGJRHCGZIHGV-MYUZEXMDSA-N 427.500 5.327 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@]1(C#N)CC(C)(C)[C@H]1OCc1ccccc1 1950400199 LOHVDNDRIVGLTJ-ATIYNZHBSA-N 426.601 6.224 30 10 IKEE C#CCCCC[C@@H]1C[C@H](C(=O)O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21 1952392965 CAFVYSMEFWTHCK-WOJBJXKFSA-N 431.532 5.294 30 10 IKEE C=CCCCC[C@H](NCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2009486848 JVVMNFGYBSXJBD-OZXSUGGESA-N 430.633 5.555 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]1(CCF)CCN(C(=O)OC(C)(C)C)C1 2023662917 YXFVWDHYBITHSG-RDGATRHJSA-N 434.596 5.114 30 10 IKEE CSc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)s1 2032267455 ZFLGLTSFPVPQTJ-CQSZACIVSA-N 439.400 6.239 30 10 IKEE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2032562871 XTIAFAXYCYWYKZ-XDHUDOTRSA-N 447.551 5.497 30 10 IKEE CC[C@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1OC 2067962084 FFVCUGFDYLCUHS-DVECYGJZSA-N 445.560 5.118 30 10 IKEE Cc1ccc([C@@H](C2CC2)n2nc(C3CCC3)c(C#N)c2I)c(F)c1 2079080383 IGFQBGCJGZDEOL-GOSISDBHSA-N 435.284 5.074 30 10 IKEE CC(C)c1nn(-c2ccc(F)c(C(F)(F)F)n2)c(C(F)(F)F)c1C(=O)OC(C)(C)C 2079242017 SXLZTPFEDDFNKN-UHFFFAOYSA-N 441.347 5.523 30 10 IKEE CCCOc1ccc([C@H](C2CC2)n2nc(C(C)C)c(C#N)c2I)cc1 2080057742 NPEKECHKJQLELS-IBGZPJMESA-N 449.336 5.271 30 10 IKEE CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)Nc1cccc(Br)c1 2149841020 GGNRQONTSQVMDV-IERDGZPVSA-N 436.394 5.426 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1cc(Br)c2c(c1)OCCO2 2164267134 ZGJLQJGHPUKERL-NRFANRHFSA-N 432.358 5.034 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](O)c1sc(C)c(Br)c1C 2226504967 JKCDKIFQMONLTK-WOJBJXKFSA-N 438.431 5.302 30 10 IKEE C=C(C)CCCC[C@H](NC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2250129788 ZDVWYXFIJHWNQA-OZXSUGGESA-N 430.633 5.555 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@@]1(C)CNC(=O)OC(C)(C)C 2258853779 FOIGHBGHBRSJQH-DQEYMECFSA-N 443.588 5.714 30 10 IKEE CCCCCCCCCCN[C@H](C)c1cc(Br)c(Br)s1 2281269558 ARNNUWJFOLTOIT-CYBMUJFWSA-N 425.274 7.064 30 10 IKEE CC(C)(C)OC(=O)NC1(CNc2c(Br)cccc2C#N)CCC(F)(F)CC1 2285185659 DZDHVPXVOHJYNN-UHFFFAOYSA-N 444.320 5.205 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)c1c(F)cc(Br)cc1F 2291145835 WTBKZEPLYFXFFK-HXUWFJFHSA-N 441.268 5.033 30 10 IKEE CC1=NN(c2ccccc2)C(=O)C1=Cc1cc(C)n(-c2sc3c(c2C#N)CCCC3)c1C 2294082071 OFIKLJVQMWKART-UHFFFAOYSA-N 440.572 5.712 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](CC[C@@H](O)C#Cc2ccc(Br)cc2)C1 2296274525 UUPVNLGSWZQTLN-SXLOBPIMSA-N 436.390 5.025 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1CCC(=O)C#Cc1ccc(Br)cc1 2296275742 ADIIVGJFCWPCTA-FXAWDEMLSA-N 434.374 5.233 30 10 IKEE CCN[C@@H](C#Cc1cccc(Br)c1)CC[C@@H](C)CCNC(=O)OC(C)(C)C 2296277587 UMOUWKWGUQAUDU-YLJYHZDGSA-N 437.422 5.110 30 10 IKEE COC(=O)c1ccc(C=C2Oc3cc(OCC(=O)c4ccc(Cl)cc4)ccc3C2=O)cc1 2296867386 LZINUTKQGSDHOE-UHFFFAOYSA-N 448.858 5.005 30 10 IKEE COc1ccc(C=C2Oc3cc(OCC=Cc4ccccc4)ccc3C2=O)c(OC)c1OC 2296871318 NIFKPOIFZVZXBG-UHFFFAOYSA-N 444.483 5.421 30 10 IKEE O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccc(Cl)cc2)C1=C(O)c1ccc(Cl)cc1 2296931580 WWDCRQJPUJPTGX-FQEVSTJZSA-N 439.298 5.010 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)cc1 2302571863 OOMRIHUFKQKUHJ-HSALFYBXSA-N 429.561 5.322 30 10 IKEE CCCc1nnc(SCc2ccccc2)n1N=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 2321767434 SISYVDLVOSCBFM-UHFFFAOYSA-N 447.520 5.573 30 10 IKEE Cc1cc(OCc2c(F)cccc2Cl)cc2c1C(=O)C(=Cc1cn(C)c3ccccc13)O2 2321802372 ZNGAQVREEFVARF-UHFFFAOYSA-N 447.893 6.474 30 10 IKEE CCOc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN([C@@H]1CCCC[C@@H]1C)C3 2322153093 FBBMPWPZZHSXIJ-LAUBAEHRSA-N 433.548 5.741 30 10 IKEE COc1ccc([C@@H](C)N2COc3cc(C)c4c(c3C2)OC(=Cc2cccs2)C4=O)cc1 2322239870 PFUZDQLPPDQGPG-MRXNPFEDSA-N 433.529 5.594 30 10 IKEE O=C(C=Cc1c(OCc2ccccc2F)ccc2ccccc12)c1ccc2c(c1)CCCC2 2322330968 AEXZWXMJTYOGLN-UHFFFAOYSA-N 436.526 7.333 30 10 IKEE O=C(COc1ccc2ccccc2c1C=CC(=O)c1ccccc1Cl)NCc1ccco1 2322436462 GXKBNNIGUQLNSA-UHFFFAOYSA-N 445.902 5.678 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cc(Br)ccc2OCC(=O)OCC(C)C)c1 2322614726 YZRJNIJSAOXXKW-UHFFFAOYSA-N 445.353 5.540 30 10 IKEE Cc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2c(Cl)cccc2Cl)C3=O)cc1 2322680081 FDIAUGNCSCKXNM-UHFFFAOYSA-N 439.294 6.446 30 10 IKEE COc1cccc(C=CC(=O)c2cccc3ccccc23)c1OCC(=O)NCc1ccco1 2322724711 GQRIIEQLVRJLLF-UHFFFAOYSA-N 441.483 5.033 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1 2322737810 SSJVJDXWIYCFOF-UHFFFAOYSA-N 425.355 7.592 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)c4cc5ccccc5o4)ccc3C2=O)c(OC)c1 2322839842 XMUPLLMFXQXSTC-UHFFFAOYSA-N 442.423 5.285 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)c(C)c1 2322949027 QDBSBRLNHSOETJ-UHFFFAOYSA-N 435.907 6.649 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccccc2)c2ccccc12 2323009567 XIRAGUPAAYJEPW-UHFFFAOYSA-N 437.495 5.762 30 10 IKEE O=C(COc1cccc(C=CC(=O)c2ccc(Cl)cc2Cl)c1)Nc1ccccc1F 2323075977 FWHRKJAFHNQDIN-UHFFFAOYSA-N 444.289 6.046 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OC(=O)c3ccc(F)c(F)c3F)cc(C)c2C1=O 2323127419 DXWUZWDKUXFMPO-UHFFFAOYSA-N 430.403 5.618 30 10 IKEE O=C(COc1cccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)c1)Nc1ccccc1 2323150901 WDPRTTUEVLBIOQ-UHFFFAOYSA-N 426.299 5.907 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)C=Cc1ccc(Cl)cc1Cl 2323327596 BMAUXHWXVDTZMZ-NRFANRHFSA-N 441.443 6.158 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCc3ccc(C)cc3)c([N+](=O)[O-])c2)cc1 2323540673 IJBVDVBEQWGDMC-UHFFFAOYSA-N 429.516 6.721 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OC(=O)c3cc(Cl)ccc3Cl)ccc2C1=O 2323581316 UEIQOMKCJAOILG-UHFFFAOYSA-N 431.296 6.199 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OCc1ccc(Cl)c(Cl)c1 2323743742 WBDHGZZDJNBWIH-UHFFFAOYSA-N 449.280 6.755 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1 2323791802 LFUYVRDYNCBNIK-UHFFFAOYSA-N 442.511 6.353 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1)NC1CCCCC1 2323879552 BPUDVJDMVGPLSI-UHFFFAOYSA-N 432.347 5.717 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2sccc2C)C3=O)cc1 2324381009 XCHOQKUSFQFKBR-QGZVFWFLSA-N 433.529 5.696 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc(OCCCOc3cccc(C)c3)c2C)C1=O 2324563678 KRCSUKRCBKGCRQ-UHFFFAOYSA-N 430.500 5.776 30 10 IKEE CCOC(=O)c1ccc(COc2ccc3c(c2C)OC(=Cc2ccccc2Cl)C3=O)o1 2325402414 KUCVHFFVBUMZHH-UHFFFAOYSA-N 438.863 5.613 30 10 IKEE CC(C)(C)c1ccc(C=CC(=O)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 2325494590 AORQFUNPURAPFO-UHFFFAOYSA-N 443.387 6.243 30 10 IKEE CCCNC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2325666345 QUOQBXYWNRTCQY-UHFFFAOYSA-N 427.500 5.183 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC)c(OC(=O)CCc3ccccc3C)c2)c1 2325706853 IYBZCZXACJPKRW-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cc(OC)cc(OC)c3)c2)cc1 2325711477 UCBZNNCVNNGJLF-UHFFFAOYSA-N 444.527 6.162 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 2325734894 KVLKFXGHNZJLHD-UHFFFAOYSA-N 428.528 6.498 30 10 IKEE COc1cccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C)c(C)c4)cc(C)c3C2=O)c1 2325738669 UZOIVPUHGWMYLR-UHFFFAOYSA-N 443.499 5.254 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OCC(=O)Nc4cc(C)ccc4C)c3C)C2=O)c1 2325740765 CZZWPHGDCDUTSD-UHFFFAOYSA-N 443.499 5.254 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2ccc(F)c(F)c2)cc1OC(=O)C(C)C 2325753379 BLGNFTBZHSMGFE-UHFFFAOYSA-N 439.252 5.193 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1cccc(C(F)(F)F)c1 2326442584 HCWDMZPFKJTDQM-UHFFFAOYSA-N 432.515 6.041 30 10 IKEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc(OCCC)cc1 2328075294 FGQDYYNRCLIFKO-UHFFFAOYSA-N 441.000 5.666 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1c(F)cccc1Cl 2328790100 QNGHNEZVAZOVJU-UHFFFAOYSA-N 444.963 5.817 30 10 IKEE COc1ccccc1C=Nn1c(COc2ccccc2)nnc1SCCc1ccccc1 2329919444 MGZSKZRDIUIGGQ-UHFFFAOYSA-N 444.560 5.083 30 10 IKEE Cc1ccc(C=Nn2c(Cc3ccc(C)cc3)nnc2SCc2ccccc2C)cc1 2329938732 DOLKQDUFUFCBAY-UHFFFAOYSA-N 426.589 5.969 30 10 IKEE CCOc1ccc(C=Nn2c(Cc3cccs3)nnc2SCc2cccc(C)c2)cc1 2330346228 BXLHJNVSZDHDOH-UHFFFAOYSA-N 448.617 5.812 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(CC)cc3)cc2OC)cc1 2330772784 RBDFCMIIJQWLNQ-UHFFFAOYSA-N 442.555 6.254 30 10 IKEE COc1cc(C=Nn2c(SC)nnc2C2CCCC2)ccc1OCCc1ccccc1 2331017240 MBPSAJUDZVMGRZ-UHFFFAOYSA-N 436.581 5.170 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl 2331020557 YIHGXAOCSLSRSL-UHFFFAOYSA-N 427.884 6.020 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(Cl)cc1 2331136149 UMAUVGPCQQIKBA-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2cccc(Cl)c2)c(Cl)c1 2331359043 UNQVVWUUSMEEOR-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc3ccccc23)n1N=Cc1ccccc1[N+](=O)[O-] 2331402798 SGLRAENEDBXVSQ-UHFFFAOYSA-N 445.548 5.812 30 10 IKEE C=C(C)CSc1nnc(C2CCC2)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2331519315 MRESCSDVMFKEDT-UHFFFAOYSA-N 432.549 5.315 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(Br)c1OC(=O)CC(C)C 2331533410 VSVKOPWZCSRQGZ-UHFFFAOYSA-N 435.289 5.444 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccc(F)c(F)c1 2331555143 BQOBLZRMPPPYTK-UHFFFAOYSA-N 443.789 5.642 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)CC(C)(C)C 2331562789 CLBBYQKGCXTJBN-UHFFFAOYSA-N 436.882 6.255 30 10 IKEE COCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(C(C)(C)C)cc1 2331595232 DSALENRALOXEBF-UHFFFAOYSA-N 444.604 6.050 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)ccc1OC(=O)CC(C)C 2331638745 HGFAAEKFHNJFNH-UHFFFAOYSA-N 437.319 5.858 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1ccccc1C 2331657628 KKKYHTQIHTZSSN-UHFFFAOYSA-N 428.528 6.353 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C(C)C)c1 2331706392 KWTDOBVJEMINIA-UHFFFAOYSA-N 444.604 6.518 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2cc(C)c(OC)cc2C)cc1OCC 2331851739 HSCDDFUBGBRZGG-UHFFFAOYSA-N 444.955 6.356 30 10 IKEE CC#CCN(C[C@@H](NCCC)c1cccc(Cl)c1Br)C(=O)OC(C)(C)C 2337901748 RNNJYRXEOVTNNR-QGZVFWFLSA-N 443.813 5.404 30 10 IKEE CN(CCCCCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2339592716 UUAWLFAMVDQSRU-UHFFFAOYSA-N 446.397 5.142 30 10 IKEE O=C(C#C[C@H]1CC1(F)F)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2341017900 GWGNOFCHEFZTPL-NVQXNPDNSA-N 448.465 5.106 30 10 IKEE C=CCC(CC=C)[C@H](NC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2364011133 IVMISYPFLPPIBG-PMACEKPBSA-N 437.422 5.241 30 10 IKEE CC1(C)OB(/C=C/c2ccc(N[C@H]3C[C@@H]4C[C@@H](OCc5ccccc5)C[C@H]34)nc2)OC1(C)C 2365102005 XFXYPNYSXUYUEV-HKZRYWDCSA-N 446.400 5.522 30 10 IKEE Cc1c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)ccc(Cl)c1Cl 2366024191 RTWKLWMBGURDOQ-QGZVFWFLSA-N 425.743 6.962 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(C)c(C)c(Br)c(C)c1C 2372277909 HNFYWSKCCIHLLD-PXNSSMCTSA-N 439.438 5.803 30 10 IKEE COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C/C2=Cc4ccccc4O[C@@H]2C)C3=O)c1 2160997 BWWIYKOHPQCDQA-FRQJIFLKSA-N 440.451 5.238 30 10 IKEE CC(C)(c1ccccc1)c1ccc(OCCN=C2c3ccccc3Cc3ccccc32)cc1 16323413 JQGDMBSLTTTXHW-UHFFFAOYSA-N 431.579 6.833 30 10 IKEE O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1ccc(-c3ccccc3)cc1)Nc1ccccc1N2 21222708 NYZFUVYWGUPQKK-MNNSJKJDSA-N 448.591 7.395 30 10 IKEE CC(C)COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 21246040 XJIPSLWYJLPTAX-PPHZAIPVSA-N 444.600 6.762 30 10 IKEE O=C1NC(=N/c2ccc(Cl)cc2)/C(=C/c2ccc(-c3nc4ccccc4s3)o2)S1 39794164 TVKKFCBPPLYVPJ-WQRHYEAKSA-N 437.933 6.737 30 10 IKEE O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)c1cccc(NC(=O)c2cccs2)c1 39850975 ZSFDMTIJSFVHBD-ZRDIBKRKSA-N 433.916 6.810 30 10 IKEE C=CCN1C(=O)c2[nH]nc(-c3cc(C)cc(C)c3O)c2[C@@H]1c1ccc(OCCCCC)cc1 39912113 POAPFOJMGVFPQB-VWLOTQADSA-N 445.563 5.699 30 10 IKEE CCCCCCCCCCCCCC[C@@H](CCC)c1cccc(C(=O)/C=C/C(=O)O)c1 43617536 OLTDVZPGSDCOGR-MQAYTSPESA-N 428.657 8.485 30 10 IKEE CC(/C=C1\S/C(=N/N=C\c2cccnc2)N(Cc2ccco2)C1=O)=C\c1ccccc1 47137825 QWXKTRALIQPCKW-FTFPWLNJSA-N 428.517 5.128 30 10 IKEE C=CCn1c(SCCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1ccc(Cl)cc1 59795015 ODUSLGNBDMHEJR-UHFFFAOYSA-N 426.973 5.522 30 10 IKEE Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1/C(=N\Nc1ccccc1)CC(C)(C)C2 101108857 FTXVYBGQCDMWMC-CEUNXORHSA-N 445.519 5.035 30 10 IKEE COc1cccc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)c1O 101538979 UXMMXGQLBIVVGJ-GZAOZUBMSA-N 430.529 5.074 30 10 IKEE C#CCOc1ccc(Br)cc1CNc1cc(Br)ccc1Cl 109958961 WXIOKKBPPOPAJO-UHFFFAOYSA-N 429.539 5.489 30 10 IKEE CCOc1ccc([C@H](C#N)C(=O)c2cc(Br)c(Br)s2)cc1 128470784 YMRJPBCHWOCQPH-NSHDSACASA-N 429.133 5.162 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccc(O)cc2)ccc1F 169961735 BEJWRMDOUGAXAP-OAQYLSRUSA-N 437.854 5.276 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@H]2c2ccccn2)ccc1F 169996468 LQBXLRKRXOBYEU-NRFANRHFSA-N 436.870 5.274 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2C2CCCCC2)cc1 170031988 SIOIXNQMUXNUCY-HXUWFJFHSA-N 440.565 5.070 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccccc1 170051922 BGQROCZOLCGHCB-QHCPKHFHSA-N 443.886 6.178 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccco2)cc1 170091002 XJVKGCVKVNSZEY-DEOSSOPVSA-N 429.516 5.679 30 10 IKEE CCOc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2ccco2)c1 170097745 YNLJGVCENLDFAF-HSZRJFAPSA-N 431.488 5.074 30 10 IKEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1sccc1C 170107444 VLVAIZKZBGWDKD-QFIPXVFZSA-N 448.588 5.130 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2cccc(C)c2)cc1C 170140302 WWIBRLHQFCACQV-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccccn2)c1 170172374 HLWDHQAFJXXBFC-VWLOTQADSA-N 438.527 5.360 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2cccnc2)c1 170188773 VYLRPMVUSMNEQH-JOCHJYFZSA-N 448.906 5.307 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1cccnc1 170191347 FIUWAURZFTVMFS-NRFANRHFSA-N 448.906 5.143 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2)c1 170227203 LKKSCENCCPDTDI-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 170235222 ZLKKTNCEXKLXEP-QFIPXVFZSA-N 433.891 5.522 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(Cl)cc1 170236671 CTQVYRUNHQUQCU-QHCPKHFHSA-N 437.967 5.987 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 170246583 BWNURMVKIVACGA-FQEVSTJZSA-N 448.346 5.769 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccc(O)c2)cc1 170258190 LNMYBQRKQZLPSI-HSZRJFAPSA-N 447.462 5.103 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@@H]1c1ccc(CC)cc1 170267825 ASBCCPJLDUSMNT-DEOSSOPVSA-N 435.564 5.759 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1ccc(CC)cc1 170268226 FVXVSNQIAYDFNU-HSZRJFAPSA-N 437.536 5.035 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(Cl)c3)[C@H]2c2ccco2)c1 170282687 OJWZEQICTILPDL-HXUWFJFHSA-N 442.298 5.986 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccco2)cc1C 170285730 GGSJBOUMSGWTFG-QHCPKHFHSA-N 431.488 5.386 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccco2)ccc1OC(C)C 170289865 XJYXSNWUTYUVQY-QHCPKHFHSA-N 442.471 5.030 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2ccc(F)cc2F)o1 170305853 ZMNKSNHCEBQJDN-QHCPKHFHSA-N 445.421 5.802 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2sccc2C)c1 170314231 PKBVOLHFNVRYRJ-HSZRJFAPSA-N 443.568 6.027 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(Cl)c(Cl)c2)c1 170388193 IGFPCAIHZHXHCG-LJQANCHMSA-N 444.339 6.146 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1CCc1c[nH]c2ccccc12 170425036 FYWGKUZLHAUAKW-QFIPXVFZSA-N 442.540 5.359 30 10 IKEE C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@@H](C)CCC[C@](C)(O)CC)C[C@@H](O)C[C@@H]1O 206404359 QRBVGIIEIQPZJM-CWQBKKLASA-N 430.673 6.095 30 10 IKEE COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@@H]3/C=C\c2ccccc2)cc1 228968373 LFSSYFWGTHSGLA-OOLFPIASSA-N 447.538 6.126 30 10 IKEE COc1ccc(N2C(=O)C(=O)/C(=C(O)/C=C\c3ccccc3)[C@@H]2c2ccccc2F)cc1 229108773 MGLATFUNRHULEZ-MCSRZGCRSA-N 429.447 5.017 30 10 IKEE COC(=O)c1ccc(Cl)c(Nc2nc(SC)nc(-c3cccc(Cl)c3)c2C#N)c1 244529642 ZSHWIYJHQCTDCJ-UHFFFAOYSA-N 445.331 5.574 30 10 IKEE Sc1nnc(-c2ccco2)n1N=Cc1ccc(COc2cc(Cl)ccc2Cl)o1 254488451 SQQAKIHQSHVXGW-UHFFFAOYSA-N 435.292 5.188 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)ccc1Br)NCCC 407501965 LNVGXSRRKCTYFV-QZTJIDSGSA-N 445.829 5.483 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)ccc1Br)NC 407860760 GUQMUGJXJTYCSN-IAGOWNOFSA-N 431.802 5.093 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(Br)cc1 526743537 AGVVHVISPDJAJR-NRFANRHFSA-N 448.316 5.540 30 10 IKEE Cc1nnc(SCc2ccccc2F)n1/N=C\c1ccccc1COc1ccccc1 526802210 CDRJAMXUCRTKNI-YSMPRRRNSA-N 432.524 5.479 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccc(OCC)c(Cl)c1 526811231 FOHPUIPAXVLLEX-CFRMEGHHSA-N 449.407 6.111 30 10 IKEE CCOc1c(/C=N\n2cnnc2SCc2c(Cl)cccc2Cl)cccc1OC 526814295 LHNAUTLOLJSWBC-RMORIDSASA-N 437.352 5.167 30 10 IKEE CCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1ccc(OC)c(OC)c1Cl 526818996 LENRFIYVJWXDGS-MSXFZWOLSA-N 444.988 5.302 30 10 IKEE C=CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H]1c1ccc(Br)s1 571961577 ILGXFDOGBSIQKS-HNNXBMFYSA-N 430.375 5.000 30 10 IKEE Cc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2cccc(C(F)(F)F)c2)cc1 586199561 PXVYWLCFOSBQEI-UHFFFAOYSA-N 430.451 5.281 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1cccc2c1OCC2 693156927 WPHZQRGMTIVNPM-SFHVURJKSA-N 429.314 5.390 30 10 IKEE CCn1nc(C)c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)c1C 698390026 HZZMECUAZHPYJA-QGZVFWFLSA-N 433.350 5.289 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@H](C#N)c1ccc(Br)c(F)c1 710816088 UIIBUOJFBKDJNE-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE O=C1/C(=C\c2ccc3c(c2)OCO3)SC(=Nc2ccncc2Cl)N1C1CCCCC1 1772733609 ACJDRQVCUUTNQI-YICNLQCZSA-N 441.940 5.400 30 10 IKEE C/C(=C1/SC(=Nc2cccc(C(=O)O)c2)N(c2ccccc2)C1=O)c1ccc(O)cc1 1772736579 NBBJIAXGZLQJGT-AQAUNXFGSA-N 430.485 5.289 30 10 IKEE N#CCc1ncc(-c2cccc(OC(F)(F)F)c2)cc1-c1cccc(OC(F)(F)F)c1 1848361646 AUCLMAZLSYHJRT-UHFFFAOYSA-N 438.327 6.279 30 10 IKEE COc1cc2cc(C#N)c(SCC(=O)Nc3cccc(Cl)c3Cl)nc2cc1OC 1858204883 YTSHKFYHQUOOHB-UHFFFAOYSA-N 448.331 5.161 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc2nc(-c3ccc(OC)c(OC)c3)oc2c1 1859672032 WTUVVJOQGUXJJA-UHFFFAOYSA-N 438.568 6.383 30 10 IKEE N#Cc1c(NC(=O)CCc2ncc(-c3ccc(Br)cc3)o2)oc2c1CCCC2 1859755864 DUNQQOWMEBOBEK-UHFFFAOYSA-N 440.297 5.019 30 10 IKEE O=C(/C=C/c1cccc(Cl)c1Cl)C(=O)Nc1ccc(OCc2ccccc2)cc1 1860727564 UQMQSKHLCYBAHR-NTEUORMPSA-N 426.299 5.793 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1C 1861038827 GBSDJONFYSKXQO-RUZDIDTESA-N 433.596 5.294 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1Cl 1862379603 GHHPNHYKSCBPFP-HXUWFJFHSA-N 439.298 5.167 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2c(F)cc(F)cc2F)=C(O)C(=O)N1[C@@H]1CCCC[C@@H]1C 1862456684 XMPZOVFUNSMTHZ-BPSNYSSFSA-N 443.465 5.569 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1ccc(Cl)cc1Cl)c1c(F)cc(F)cc1F 1862467442 QAUARKFRNCWLDJ-KRWDZBQOSA-N 442.220 5.151 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccccc1Cl 1862470367 MECFFMVAQHRWSN-KZULUSFZSA-N 448.744 5.479 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 1862478822 RIWWOHPQTXNTBT-JOCHJYFZSA-N 434.492 5.204 30 10 IKEE CCN(CC)CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(C)cc1 1862487018 QIMSPJCIMGGCPC-RUZDIDTESA-N 448.607 5.312 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2cccc(O)c2)c1 1862490177 PEHVVQIRRJSTQF-XMMPIXPASA-N 427.500 5.096 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2cccc(Br)c2)cc1 1862540431 NPEVFJZATZSXQB-VBKZILBWSA-N 442.353 5.388 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2ccc(Cl)cc2)cc1 1862558016 RZGPYARVDQRTAF-QFIPXVFZSA-N 432.907 5.009 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(O)c2)=C(O)C(=O)N1CCCCc1ccccc1 1862589524 MVCYVSGEZFQLRG-RUZDIDTESA-N 441.527 5.302 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2Cc2cccs2)c1 1862613486 IXGCYLTXVZBRLP-HSZRJFAPSA-N 445.584 6.133 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CC(C)C)c1 1862668746 GUUKGQBLOFLCRD-DEOSSOPVSA-N 435.564 5.833 30 10 IKEE O=C(C1=C(O)C(=O)N(C23CC4CC(CC(C4)C2)C3)[C@@H]1c1cccc(F)c1)c1ccc(F)cc1 1862672544 CSBGIQPHESNYKT-PHDLEGTPSA-N 449.497 5.512 30 10 IKEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(F)cc2)cc1 1862674034 RLMBCAMEYSDODI-NPMXOYFQSA-N 449.453 5.313 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2cccc(OC)c2)cc1 1862688072 RRDKLQAOBBWUSO-BXKMTCNYSA-N 443.499 5.043 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862690126 IKLXVOXZZGBBSD-FQEVSTJZSA-N 447.453 5.483 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccc(Cl)c1 1862725974 WFQAXPZPFJPGEC-HSZRJFAPSA-N 431.919 5.995 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(N(C)C)cc1 1862726891 QZPPYMJAPHMDBX-VWLOTQADSA-N 440.543 5.408 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCCCCCCC)cc2)[C@@H]1c1cccc(C)c1 1862733303 QGVZSDXJBMKNMP-VWLOTQADSA-N 447.575 6.109 30 10 IKEE Cc1cc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(F)cc3)C2=O)ccc1C(C)C 1862770950 OUNSTMRGCIADFR-UHFFFAOYSA-N 439.490 5.526 30 10 IKEE Cc1cc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3cccc(C)c3C)C2=O)ccc1F 1863086169 KWIFSJPWOWNQQJ-UHFFFAOYSA-N 425.463 5.019 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(C(C)(C)C)cc2)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863280155 XPRWIANXGNCWAN-UHFFFAOYSA-N 429.347 5.669 30 10 IKEE CCCCCCCOc1cn(Cc2cccc(C)c2)c(CN2C[C@H](C)O[C@H](C)C2)cc1=O 1870412692 GMIPGYOQHREBMD-ZRZAMGCNSA-N 440.628 5.163 30 10 IKEE CCCCCCCOc1cn(CCOC)c(CNc2ccc(N3CCCC3)cc2)cc1=O 1870832457 WKPBOASEYKBUGU-UHFFFAOYSA-N 441.616 5.056 30 10 IKEE C=CCn1cc(OCc2ccc(C(C)C)cc2)c(=O)cc1CNc1ccc(Cl)cc1C 1870897824 PPMKZOCQXVQKAP-UHFFFAOYSA-N 436.983 6.311 30 10 IKEE CCCCCCCCN=c1nc2c(cnn2C)c(Nc2ccc(OC(F)(F)F)cc2)[nH]1 1871295131 HBCUYSODRVQCOQ-UHFFFAOYSA-N 436.482 5.200 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3c(ccc4c3CN(C3CCCCCC3)CO4)C2=O)c1 1871347842 YYOFZTINTFXPKM-OYKKKHCWSA-N 435.520 5.195 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccco1)O3)CN([C@H](C)c1ccc3c(c1)CCCC3)CO2 1871353904 AWVIAOZVKOPRCJ-DBXOKZBGSA-N 441.527 5.996 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)ccc3C2=O)c1 1871375167 WRZCQCOANDAENR-RQXPBMLRSA-N 432.859 5.584 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCCCOc4cccc(C)c4)ccc3C2=O)c1OC 1871404536 CYAAWAZNNFJRIH-XYGWBWBKSA-N 446.499 5.476 30 10 IKEE Cc1c(Cl)cccc1NC(=O)[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccccc1)C2=O 1871406714 JJTZUJCBLRQPTI-PGECNJAHSA-N 447.918 5.979 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)c1 1871411198 GEUDUDGWEQBXNB-ZKDCOOFMSA-N 431.463 5.465 30 10 IKEE C[C@@H](Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O)C(=O)Nc1ccc(C#N)cc1 1871436130 NJESACYSNRGTIW-GYNBUYTQSA-N 436.467 5.137 30 10 IKEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1cc(C)ccc1C 1872007688 JQKNPDQBSPFKFT-FQEVSTJZSA-N 442.625 5.195 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)COc3cc(Cl)ccc3Cl)n2)cc1 1872764550 PPSIQYXOYHWBIP-OAHLLOKOSA-N 433.316 5.381 30 10 IKEE N#C[C@@H](C(=O)/C=C/c1ccc(Cl)cc1Cl)c1nc(-c2ccc(F)cc2F)cs1 1872767549 UXDMJYMYXZBCAY-XCWSRWAASA-N 435.282 6.285 30 10 IKEE CCc1cccc(CC)c1N1C[C@H](C(=O)[C@H](C#N)c2nc(-c3cccs3)cs2)CC1=O 1872774397 PUTJOCBIRGHOHD-MSOLQXFVSA-N 449.601 5.226 30 10 IKEE C=CCc1ccccc1OCc1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1 1872834409 VVCPPHCUPSNDQD-UHFFFAOYSA-N 440.587 5.389 30 10 IKEE C=CCNC1=C(c2cc(F)c(F)cc2F)C(=O)N(C2CCCCCCCCCCC2)C1=O 1873062908 XYIYJSUUSWOJBG-UHFFFAOYSA-N 448.529 5.633 30 10 IKEE C=CCN(CC=C)c1nc(Nc2cc(Cl)ccc2C)c2cnn(-c3ccccc3)c2n1 1873481816 QRPRGMUHISMHFJ-UHFFFAOYSA-N 430.943 5.699 30 10 IKEE CCCCCCCCNC(=O)C1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 1873886516 ZCESMEQISSCVPQ-UHFFFAOYSA-N 434.624 5.534 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccc(F)cc1 1874216333 QMIMGILGXAVRHU-AFUMVMLFSA-N 444.963 5.633 30 10 IKEE Cc1ccc(CSc2nnc(CCCOc3cccc(C)c3)n2/N=C/c2ccco2)cc1 1874245814 XRDQYYOOWNYXBQ-YZSQISJMSA-N 446.576 5.674 30 10 IKEE C=CCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1cc(Cl)ccc1O 1874279544 LGPMNIVMAZVUQN-YDZHTSKRSA-N 433.364 5.236 30 10 IKEE CCCCC1CCC(c2nnc(SC)n2/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)CC1 1874286312 ZPPXQXCEWCKWRC-LPYMAVHISA-N 435.981 5.908 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2ccc[nH]2)cc1 1874301493 BJERKIKZVCQPRB-WGOQTCKBSA-N 431.565 5.079 30 10 IKEE C=CCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc(OCC)c(OC)c1 1874342836 LBTPWPHCUOCFIK-BUVRLJJBSA-N 442.972 5.090 30 10 IKEE Clc1ccccc1CSc1nnc(-c2ccccc2Cl)n1/N=C/c1cccnc1 1874365579 JSPMJSRBQSKDBW-DHRITJCHSA-N 440.359 5.821 30 10 IKEE Clc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccccc2)cc1 1874408347 ROPGQICULUXUPY-PCLIKHOPSA-N 425.001 6.229 30 10 IKEE CCOc1cccc(/C=N/n2c(Cc3cccs3)nnc2SCc2cccc(C)c2)c1 1874410386 QXZVEEJGVXWVOG-PCLIKHOPSA-N 448.617 5.812 30 10 IKEE Fc1ccccc1CSc1nnc(Cc2cccs2)n1/N=C/c1ccccc1Cl 1874412830 YEIIFYRDZMINBW-ZMOGYAJESA-N 442.972 5.897 30 10 IKEE C(=N/n1c(Cc2ccccc2)nnc1SCc1cccc2ccccc12)\c1ccccc1 1874418735 GSJSMYUKDYXNKM-TURZUDJPSA-N 434.568 6.197 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2c(F)cccc2Cl)cc1 1874425535 NSRRPRNAVSGMES-VULFUBBASA-N 436.943 6.221 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2ccc(F)cc2)c1 1874426495 LEQUEDGACVNNRP-CVKSISIWSA-N 445.523 5.006 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1cc(C)ccc1O 1874480316 RMIGYVYJSYSIRH-WYMPLXKRSA-N 449.407 6.116 30 10 IKEE CC(C)c1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccc(Cl)cc1 1874515480 ZLXVKGUOXDIRSW-AUEPDCJTSA-N 439.799 6.536 30 10 IKEE CCCCC1CCC(c2nnc(S)n2/N=C/c2ccc(O)c(Br)c2)CC1 1874563618 OBBWTCXKCCXJIV-CIAFOILYSA-N 437.407 5.381 30 10 IKEE Sc1nnc(CCCOc2ccc(Cl)cc2Cl)n1/N=C/c1ccccc1Cl 1874570718 FNPMHMZOYUDJEY-SSDVNMTOSA-N 441.771 5.421 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1cccc2ccccc12)c1ccccc1Cl 1874574808 HHDYJFAVKQDDOH-WYMLVPIESA-N 433.334 7.622 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Br)ccc2OCc2cccc(F)c2)c(C)c1 1874579108 XBTFHECTILGRAK-JXMROGBWSA-N 439.324 6.680 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1c(OCc2ccccc2)ccc2ccccc12 1874589691 YKYDLHYJCDYBEL-BUHFOSPRSA-N 442.942 7.285 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1OCC(=O)NC1CCCCC1 1874599363 JLSKIGKAYKJPAQ-ACCUITESSA-N 449.591 5.653 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(Cl)c1OCCc1ccccc1 1874603615 VYMOCLQOLNDCHL-SDNWHVSQSA-N 446.974 6.745 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(OC)c1OCc1ccc(F)cc1 1874605940 NFQFJBMMBDBTSB-SDNWHVSQSA-N 432.491 6.047 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OCc1ccc(Cl)cc1 1874618349 WCKJRIONSBRMHH-FMIVXFBMSA-N 436.935 6.449 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OCC(=O)NCc1ccccc1 1874618390 YCQHSZSAAJTUSA-WYMLVPIESA-N 443.543 5.293 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3)c(OCC)c2)c(OCC)c1 1874631956 CTLRPBTVNMHKFN-FOWTUZBSSA-N 446.543 6.358 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc(Cl)c1OCC(N)=O 1874635098 FSMXZRXHEQFUBW-CSKARUKUSA-N 429.944 5.105 30 10 IKEE CCc1ccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)c2)cc1 1874693429 FIAFURUCPAKZEN-NBVRZTHBSA-N 438.567 6.562 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccccc3Cl)c2)c(OC)c1 1874696611 IKTDYTLGURWRSM-JLHYYAGUSA-N 436.891 5.401 30 10 IKEE O=C(Oc1cccc(/C=C/C(=O)c2ccc(F)cc2F)c1)c1ccc(C(F)(F)F)cc1 1874699799 NOIAHBSSGXXCAP-NYYWCZLTSA-N 432.344 6.099 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)C34CC5CC(CC(C5)C3)C4)c2)cc1 1874702376 ZFHPBISBBKXVEY-IZZDOVSWSA-N 444.571 6.493 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2ccc(C)cc2)cc1OC(=O)CC(C)(C)C 1874702769 IUDAMKMALWKELF-ZHACJKMWSA-N 445.353 6.004 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OC(=O)CCc1ccccc1C 1874703508 TWHMDAKVOPFNSB-SDNWHVSQSA-N 428.528 6.055 30 10 IKEE CCCc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(F)c(C)c3)c2)cc1 1874703837 JSKHINFKYZXMNT-XNTDXEJSSA-N 432.491 5.967 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1cccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c1 1874706303 ZJYYWLDUMNLAOS-RIYZIHGNSA-N 448.946 6.761 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)c(Br)c1O 1874717272 IWUGDHUXXFIERY-UKTHLTGXSA-N 425.278 5.852 30 10 IKEE CCCCCCCCC(=O)NCCCc1nn2c(-c3ccccc3Cl)nnc2s1 1874794953 CJHHAUYAVVJJMS-UHFFFAOYSA-N 434.009 5.306 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1OC(=O)C(C)C 1875104246 NKMPZMNSZGMMHN-QPJJXVBHSA-N 427.711 6.113 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3ccco3)c(OC)c2)cc1C 1875107699 FAAHZHTUXVKHNE-SOFGYWHQSA-N 426.852 5.374 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc(C)c(C)c1 1875110482 NIIGMZFPPMGBJB-JLHYYAGUSA-N 434.919 6.471 30 10 IKEE COc1cccc(CCC(=O)Oc2c(OC)cc(/C=C/C(=O)c3ccccc3)cc2OC)c1 1875128312 VSERSKPKFULCER-WYMLVPIESA-N 446.499 5.147 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 1875143750 OWBLHNZYUTXTBM-IZZDOVSWSA-N 441.310 6.426 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(OC)c1OC(=O)CCOC 1875154427 DLEVGIVOSAQPKS-BUHFOSPRSA-N 430.500 5.415 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)[C@H]1CCCO1 1875156473 BUIHXIVBWNEZTN-JNKLARPZSA-N 442.939 5.843 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2ccc(OC(=O)Cc3cccs3)cc2)cc1Cl 1875185697 KMTLESBJMDVKGF-RMKNXTFCSA-N 447.339 6.108 30 10 IKEE C[C@H](C(=O)N1CCC[C@H](COc2cc(C#N)ccn2)C1)c1ccc(-c2ccccc2)c(F)c1 1891452348 YEWAMPBJEUEWNH-FPOVZHCZSA-N 443.522 5.180 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cc(F)c(Cl)cc3Cl)cc21 1891618040 FFRZUVLFHSUKAM-UHFFFAOYSA-N 437.298 5.322 30 10 IKEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N[C@@H](C)c3c(C)oc4ccc(OC)cc34)n[nH]2)c1C 1892235951 LMIWYLNRAYWTRQ-AWEZNQCLSA-N 447.539 5.020 30 10 IKEE N#Cc1ccc([C@@H](CCC(=O)O)CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1 1951549080 LIQZCDMGDXXCDY-FQEVSTJZSA-N 440.499 5.045 30 10 IKEE CCOc1c(Br)cc(C=CB2OC(C)(C)C(C)(C)O2)cc1Br 1975398985 NDNYMKJKEAWAEL-UHFFFAOYSA-N 431.961 5.255 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)CCC12CCC2 2008286712 NEAFATGZXAFNCP-FQEVSTJZSA-N 447.498 5.002 30 10 IKEE Cc1ccc([C@H](C(C)C)n2nc(C(C)(C)C)c(C#N)c2I)cc1C 2078987102 WSORVIQUQRUJQX-KRWDZBQOSA-N 435.353 5.519 30 10 IKEE COc1ccc([C@@H](n2nc(C(F)(F)F)c(C=NO)c2Br)C(C)(C)C)cc1C 2080011634 CWAABSLEKKXCFM-OAHLLOKOSA-N 448.283 5.425 30 10 IKEE COc1ccc(-c2c(C3CCCCC3)nn3c(Cl)c(C#N)cnc23)c(Br)c1 2081423004 VMTXSIFVKVELQD-UHFFFAOYSA-N 445.748 5.740 30 10 IKEE CC1(C)CCC[C@H]([C@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)C1 2168592821 RJAXDHBRYDPKGI-AOMKIAJQSA-N 435.406 6.689 30 10 IKEE CN(CC[C@@H]1CCCCN1c1cc(Br)cc(F)c1C#N)C(=O)OC(C)(C)C 2174807893 HXPCGHRGGMENPV-HNNXBMFYSA-N 440.357 5.076 30 10 IKEE Cc1ccc(C(=O)Nc2ccc(Br)cc2C#N)cc1NC(=O)OC(C)(C)C 2181143715 LHNIYVBNFYTVCX-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCC[C@]2(C#N)Nc2ccc(Br)cc2)C1 2233756107 XYPVPCOCBHJIAN-RRMPHLOHSA-N 434.378 5.180 30 10 IKEE CC(C)(C)OC(=O)N(CCC(=O)C#Cc1ccc(Br)cc1)Cc1ccccc1 2242589597 STJRTLWXMBVIKC-UHFFFAOYSA-N 442.353 5.197 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)C1CC(C2CN(C(=O)OC(C)(C)C)C2)C1 2250494314 APBAAORHWUZIJK-UBVWURDFSA-N 428.617 5.021 30 10 IKEE C=C(C)[C@H](OCCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2261609249 PYDDAHRFWZYQEA-MHZLTWQESA-N 432.516 5.953 30 10 IKEE Cc1ccc(C(=O)N(Cc2ccccc2)c2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2267599195 LKQGLSQEHZVQIP-UHFFFAOYSA-N 427.353 5.141 30 10 IKEE C=C(C)CCCC[C@H](NCCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2287383248 MCUMPAVPBICLSI-FQEVSTJZSA-N 439.438 6.973 30 10 IKEE O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCCN=Cc1cc(Br)ccc1O 2293993169 RHYWPDNDTWTBMW-UHFFFAOYSA-N 446.223 5.003 30 10 IKEE CCOc1ccc(N2C(=O)C(=O)C(=C(O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 2296091373 MHYAJTQWIMJGKN-QFIPXVFZSA-N 433.891 5.365 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C=C[C@@H](O)C#Cc2cccc(Br)c2)cc1 2296216098 HGRAULSBBVYGDS-HXUWFJFHSA-N 428.326 5.222 30 10 IKEE CCCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C#Cc1cccc(Br)c1)NCCC 2296219948 SXFFNFDVXVGLAI-WOJBJXKFSA-N 437.422 5.252 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)CCC[C@H](C)NC(=O)OC(C)(C)C 2296286548 MMFAOFOWLPZXCL-FXAWDEMLSA-N 437.422 5.252 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@H](CCC(C)C)NC(=O)OC(C)(C)C 2296302850 ORUPFLSLNNKEJE-PMACEKPBSA-N 437.422 5.108 30 10 IKEE CCOc1ccc(N=C(C)c2c(-c3ccccc3)nn(-c3ccc([N+](=O)[O-])cc3)c2O)cc1 2297745715 YXIBRHRUBIHCHQ-UHFFFAOYSA-N 442.475 5.693 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@H](C#N)[C@]1(C)CCCCN1C(=O)OC(C)(C)C 2302519496 LXOSMVZEZJFQKG-DVECYGJZSA-N 429.561 5.500 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H]2C[C@@](C#N)(N(C(=O)OC(C)(C)C)C3CCCCC3)CC[C@H]21 2308119241 CXDXNRQMWRHHJK-NNPDTBDGSA-N 447.620 5.628 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2314437436 MHCPIEDFLPIZRZ-UHFFFAOYSA-N 432.903 6.473 30 10 IKEE CCCSc1nnc(C(C)C)n1N=Cc1ccc(OCc2cccc(Cl)c2)cc1 2321828868 WASTXFCJQJVNSC-UHFFFAOYSA-N 428.989 6.018 30 10 IKEE CCCCOc1ccccc1C=Nn1c(S)nnc1CCCOc1c(C)cccc1C 2322214768 QECKTOKYBIZQAB-UHFFFAOYSA-N 438.597 5.256 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 2322557711 GXKGJWGZTVLWES-UHFFFAOYSA-N 437.879 6.122 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1c(OCc2cc(C)ccc2C)ccc2ccccc12 2322641974 FJYWOSBSNMMSTN-UHFFFAOYSA-N 436.551 7.249 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccc(F)cc2)c(OC)c1 2322904479 SIGHJTABVIYPSQ-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE COc1cc(C=NNC(=N)SC)ccc1OCc1c(Cl)ccc(Cl)c1Cl 2323127464 NSMYVWMOJZAUKE-UHFFFAOYSA-N 432.760 5.456 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OC(=O)C=Cc4cccc([N+](=O)[O-])c4)c3C)C2=O)c1 2323437754 VCQOCGXBJJHZTO-UHFFFAOYSA-N 441.439 5.447 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4cccc(OCC(C)C)c4)cc(C)c3C2=O)cc1 2323580233 OAXBJXLMQMSKDP-UHFFFAOYSA-N 442.511 6.174 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)cc1 2323791475 LGGKRAPEJOXKGX-UHFFFAOYSA-N 445.427 5.137 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OCc3ccccc3Cl)c([N+](=O)[O-])c2)ccc1F 2323972704 KDGHKGHILZWNRH-UHFFFAOYSA-N 425.843 6.171 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3c(ccc(O)c3CN3CCCC[C@@H]3CCO)C2=O)cc1 2324140430 RECBZTJJKNRHKI-HXUWFJFHSA-N 435.564 5.043 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(Br)c1OCc1ccccc1 2324194724 QGOQGWWNXQJQIN-UHFFFAOYSA-N 441.296 6.072 30 10 IKEE N#C[C@H](C(=O)C=Cc1ccc2c(c1)OCCO2)c1nc(-c2ccc3c(c2)CCCC3)cs1 2324356804 ZOKKWRFGXVUMNH-OAQYLSRUSA-N 442.540 5.350 30 10 IKEE Cc1c(O[C@@H](C)C(=O)Nc2ccccc2)ccc2c1OC(=CC=Cc1ccccc1)C2=O 2324405834 GHVJSYDAOQAFPV-IBGZPJMESA-N 425.484 5.573 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc(Br)c1OCCO 2324583884 MEDDZRFHSJUSFZ-UHFFFAOYSA-N 447.369 5.331 30 10 IKEE COc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)c(OC)c1 2324719067 PPSIRRLOHWJJFI-OAQYLSRUSA-N 446.572 5.951 30 10 IKEE Cc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(Cl)cc3Cl)c2)cc1 2325709054 SEMZEXGZPSPSID-UHFFFAOYSA-N 425.311 6.346 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(OC(C)=O)cc3)c2)cc1 2325711776 VVBQMTQCLTYZHK-UHFFFAOYSA-N 442.511 6.070 30 10 IKEE O=C(Oc1cccc(C=CC(=O)c2cccc3ccccc23)c1)c1ccc(Cl)c(Cl)c1 2325749898 NYSRRHRNOWMGRK-UHFFFAOYSA-N 447.317 7.262 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3cccc(C)c3C)c2)c(C)c1C 2325755559 NBFOUQBXNMSYEZ-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)[C@H](C)c3ccccc3)c2)c(OCC)c1 2325762960 RDJZPDPXOUIALN-HXUWFJFHSA-N 444.527 6.089 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)c3[nH]c4ccc(C)cc4c3C)c2)c(C)c1 2325764936 VJIDPVPNVCLLSU-UHFFFAOYSA-N 437.539 6.825 30 10 IKEE CCCOc1ccc(C=Nn2cnnc2SCc2c(F)cccc2Cl)cc1Cl 2326567544 SCZZHGMNSKXGAC-UHFFFAOYSA-N 439.343 5.687 30 10 IKEE FC(F)(F)c1ccc(C=Nn2cnnc2SCc2ccc(Br)cc2)cc1 2326606382 FQZZWSJAFHUPTJ-UHFFFAOYSA-N 441.276 5.234 30 10 IKEE C=CCSc1nnc(COc2ccccc2OCC)n1N=Cc1ccc(C(C)C)cc1 2326846321 PYUITSALTMAKSU-UHFFFAOYSA-N 436.581 5.540 30 10 IKEE CCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1cn(C)c2ccccc12 2327264866 XCJQRNGIJXLYGJ-UHFFFAOYSA-N 433.581 5.268 30 10 IKEE Fc1ccc(CSc2nnc(COc3ccc(Cl)cc3)n2N=Cc2ccc[nH]2)cc1 2327515324 GVUBIYUCAACKMO-UHFFFAOYSA-N 441.919 5.152 30 10 IKEE CCCSc1nnc(CCc2ccc(OC)cc2)n1N=Cc1cccc2ccccc12 2328580531 GDQKZBNHRXYGRP-UHFFFAOYSA-N 430.577 5.609 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccc(C)c(C)c3)n2N=Cc2ccccn2)c1 2328782150 XGKMURBQJCQRQU-UHFFFAOYSA-N 443.576 5.352 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1c[nH]c2ccccc12 2328790086 HGTMHVXGZFKMFF-UHFFFAOYSA-N 431.565 5.506 30 10 IKEE COc1ccc(Cc2nnc(SCc3cccc(C)c3)n2N=Cc2ccccc2C)cc1 2329252548 XTERLUCZPDVMLW-UHFFFAOYSA-N 442.588 5.669 30 10 IKEE Cc1cccc(C=Nn2c(COCc3ccccc3)nnc2SCc2cccc(C)c2)c1 2329316926 DAPJLVUBTFQPBH-UHFFFAOYSA-N 442.588 5.786 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccc(C)c(C)c3)n2N=Cc2ccncc2)c1 2329427856 BJHMTWMTHAHIIS-UHFFFAOYSA-N 441.604 5.672 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccc(F)cc3)n2N=Cc2ccccc2)c1 2329842735 KXQWANOHLUAXSG-UHFFFAOYSA-N 430.552 5.799 30 10 IKEE COc1cccc(C=Nn2c(COc3ccccc3)nnc2SCc2cccc(F)c2)c1 2329898400 IOQNOUCRTNOUIU-UHFFFAOYSA-N 448.523 5.179 30 10 IKEE Cc1ccccc1CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1ccc(O)c(O)c1 2330057764 NPLALGHUDNNBOT-GOSISDBHSA-N 444.560 5.324 30 10 IKEE COc1cccc(C=Nn2c(Cc3cccs3)nnc2SCc2ccccc2C)c1 2330331050 STNAIPFGKOORDQ-UHFFFAOYSA-N 434.590 5.422 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)cc(Cl)c1OC(=O)c1cnccn1 2330752625 FLUCXDRVOGCDJH-UHFFFAOYSA-N 436.895 5.206 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)ccc1OC(=O)Cc1ccc(F)cc1 2330763028 FKAJONBNUNOFNC-UHFFFAOYSA-N 432.491 5.831 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc4ccccc34)c(OC)c2)cc1 2330770319 QUFAWJMOARWOSD-UHFFFAOYSA-N 436.507 6.526 30 10 IKEE CCOc1cc(C=Nn2c(CC(C)(C)C)nnc2SC)ccc1OCc1ccccc1 2330799974 ZMOULLVRWGHTFH-UHFFFAOYSA-N 438.597 5.449 30 10 IKEE COC(=O)c1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccccc2C)cc1 2330808622 COUIRZXFAUQMQH-UHFFFAOYSA-N 436.581 5.136 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)(C)C)n2N=Cc2ccccc2Cl)c1 2330846584 OYRMWXDEYSVDED-UHFFFAOYSA-N 427.017 6.311 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CCCC2)c1O 2331086571 OSAMJBBMCLIGPH-UHFFFAOYSA-N 442.972 5.478 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)Cc1ccc(Cl)c(Cl)c1 2331183610 NOBFQGBZSFOFIW-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3cccs3)c(OC)c2)cc1 2331193113 PGQLJKZBVKMUIB-UHFFFAOYSA-N 438.501 5.279 30 10 IKEE Cc1ccc(C=Nn2c(CC(C)C)nnc2SCc2c(Cl)cccc2Cl)cc1 2331461108 LOHUCOSCOSBMIA-UHFFFAOYSA-N 433.408 6.266 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2Br)cc1 2331523579 IVUOSCAAQFYAFH-UHFFFAOYSA-N 439.280 6.012 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)CCCSC 2331532163 FVZQJISRSDPRGF-UHFFFAOYSA-N 436.932 5.823 30 10 IKEE COCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(Cl)c(Cl)c1 2331555242 SADGMARKPWEZLH-UHFFFAOYSA-N 425.316 5.045 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2)cc1 2331704876 RTOLCDDFFZUQFV-UHFFFAOYSA-N 430.500 5.583 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C2CC2)c1 2331735266 AQBAZORSIZUWDY-UHFFFAOYSA-N 437.525 5.027 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2ccncc2)c(Cl)c1 2331876645 WDMCSEGIUVOQSN-UHFFFAOYSA-N 428.271 5.512 30 10 IKEE C[C@H]1C[C@@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CN(Cc2ccccc2)C1 2339588178 DXCMFJGPQZDSQP-SIJCWRCSSA-N 433.405 5.049 30 10 IKEE Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N1CC[C@@](C)(B2OC(C)(C)C(C)(C)O2)C1 2342562940 GIEVRBRGDXSNRL-XMMPIXPASA-N 444.381 5.040 30 10 IKEE CC1(C)OB(/C=C/c2ccc(N[C@@H]3C[C@@H]4C[C@H](OCc5ccccc5)C[C@@H]43)nc2)OC1(C)C 2365063291 XFXYPNYSXUYUEV-TXBIUEJESA-N 446.400 5.522 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Br)c(Oc2cc([N+](=O)[O-])ccc2C#N)c1 2370345438 CRENDROLDYOORH-UHFFFAOYSA-N 434.246 5.368 30 10 IKEE CC1(C)OB(c2ccc(COCc3ccc(Cl)cc3)cc2Br)OC1(C)C 2377302968 DGCJVHPEVZHWPG-UHFFFAOYSA-N 437.570 5.119 30 10 IKEE CCCC[C@H](CC)CSCc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1 2377312615 AHRWLWKEBLYNMU-INIZCTEOSA-N 441.284 6.198 30 10 IKEE N#Cc1ccccc1NC(=O)CSc1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N 8589805 CYUBTUZKTQQLEF-UHFFFAOYSA-N 438.434 5.242 30 10 IKEE O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@H](c1ccc3ccccc3c1)Nc1ccccc1N2 21248319 QWOPBSRALSXGNI-MNNSJKJDSA-N 434.514 6.958 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O)c1ccc(Br)cc1 33812377 FQGIADXDUVLDJW-JAIQZWGSSA-N 439.236 5.424 30 10 IKEE CCOc1ccc2oc(C)c(C(=O)Oc3ccccc3/C=C/C(=O)c3ccccc3)c2c1 34954045 TZVHYECMAQUYPZ-FYWRMAATSA-N 426.468 6.255 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)N(c3ccccc3)c3ccccc3)cc2)cc1 34954563 XQIPDDQXVYRKRP-LTGZKZEYSA-N 433.507 7.228 30 10 IKEE C=CCC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)CC1CC1 36316085 BDQCZTXWFXITCJ-DEOSSOPVSA-N 445.607 5.727 30 10 IKEE C[C@@H]1C/C(=N\OC(=O)c2ccccc2F)c2ccc(OC(=O)c3ccccc3F)cc2C1 59377209 UACDJTUITHKZCY-NIWCZRKBSA-N 435.426 5.327 30 10 IKEE Cc1ccc(NC(=O)c2cnn3c2NC2=C(C(=O)CCC2)[C@H]3c2ccc(F)c(F)c2)cc1C 64775614 ABERDVLOSHBRIR-HSZRJFAPSA-N 448.473 5.052 30 10 IKEE C=C(C)COc1cccc(NC(=O)CNc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)c1 66109107 RMCASKXUTHAHTL-FQEVSTJZSA-N 443.547 5.183 30 10 IKEE CC1(C)Cc2cccc(OCC#CCNC(=O)c3ccc(Oc4ccccc4)cc3)c2O1 90733505 URVLMLMEGRHPIF-UHFFFAOYSA-N 427.500 5.005 30 10 IKEE CCCCCCCOc1ccccc1NC(=O)O[C@@H](CN(CC)CC)CN1CCCC1 95828129 WAEDZRFJDPSTQP-QFIPXVFZSA-N 433.637 5.391 30 10 IKEE CCCCCCCOc1ccc(NCc2cccc(OCCOc3ccccc3)c2)cc1 100033755 OJGAXZWBRNBCOF-UHFFFAOYSA-N 433.592 7.106 30 10 IKEE COc1cc(Br)cc(/C=N/c2cc(C(F)(F)F)ccc2-n2ccnc2)c1O 100318794 PLPHSCUQWGWHIB-PGGKNCGUSA-N 440.219 5.118 30 10 IKEE N#Cc1c(-c2c(Cl)cccc2Cl)noc1/C=C\Nc1ccc(Cl)cc1Cl 100394437 LGQUPVFWRHJHCB-SREVYHEPSA-N 425.102 6.910 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1ccccc1C(=O)N(C)C 100443793 YMYSXJYGWCBSJH-UHFFFAOYSA-N 433.662 5.903 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)S/C1=N/c1cccnc1 101124644 NJOYYWFOBWNWQH-PMAZNBEWSA-N 430.316 5.882 30 10 IKEE CCC[C@H]1S/C(=N/N=C/c2ccc(Cl)cc2)N(Cc2cccc3ccccc23)C1=O 101345000 WCTKBMBMMXFNNY-FYTHOQKWSA-N 435.980 6.127 30 10 IKEE CCCCCCCCCCCCCCCCNC(=S)NC(=O)/C=C\c1ccc(C)cc1 109512891 NWTLCFNGKHVERD-DQRAZIAOSA-N 444.729 7.480 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2nc3ccccc3[nH]2)c1 169973135 PGKUMTBTNLGNFW-QHCPKHFHSA-N 437.499 5.271 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2cccs2)cc1 169984983 ZBAQIELVUKZJOR-JOCHJYFZSA-N 433.529 5.547 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1 170048512 HJXVYGQZIPVSFI-SANMLTNESA-N 449.506 5.627 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(Cl)cc2)cc1 170059367 KLOHQFVIKHKEMQ-JOCHJYFZSA-N 432.907 5.076 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)s1 170070652 AKHSDRNTMOEWCQ-GOSISDBHSA-N 442.899 5.335 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccncc1)c1cccc(Cl)c1 170204090 YNUNQFZWPFNXQP-LJQANCHMSA-N 425.271 5.171 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccccc2)c(OC)c1 170226481 FNUZMDVSLSEJOF-JOCHJYFZSA-N 449.890 5.140 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1ccc(F)cc1 170240344 IHGSHETULOVRHR-GYCJOSAFSA-N 443.474 5.240 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccc2F)cc1C 170249789 XJQVDBAWSCGHDT-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1ccccc1F 170249868 FYRITTJQRBFKNY-QFIPXVFZSA-N 435.426 5.065 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2C2CCCCC2)cc1 170266475 KMOIHVSKITYLOY-XMMPIXPASA-N 428.532 5.641 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCCC)c2)[C@@H]1c1ccc(CC)cc1 170268177 VQBDAHPOFUTYKA-DEOSSOPVSA-N 435.564 5.806 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2C)cc1 170271196 GTAXQHSFNURPAU-HSZRJFAPSA-N 431.463 5.316 30 10 IKEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(Cl)c4)[C@@H]3c3ccco3)ccc2O1 170287070 ZCEMTKLITSPMNT-YEJXKQKISA-N 435.863 5.039 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(C)o2)c1 170311123 DFINBIFLRZYQDD-QHCPKHFHSA-N 449.478 5.294 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 170346342 DFKZBXQRDIDIHV-HSZRJFAPSA-N 437.499 5.034 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(N3CCCC3)cc2)[C@@H]1c1ccccc1F)c1cccs1 170380720 LYZPMPSJVXUEGS-JOCHJYFZSA-N 448.519 5.270 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 170454929 KFEIYOBSOJSVJG-DEOSSOPVSA-N 438.543 5.183 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 170471050 HRZHXZCWLJPVND-QFIPXVFZSA-N 435.564 5.504 30 10 IKEE COc1ccc(-c2nc3cc(C)ccc3o2)cc1N=Cc1cc2c(cc1[N+](=O)[O-])OCO2 252612469 IUCQQKDEQJTAID-UHFFFAOYSA-N 431.404 5.199 30 10 IKEE CC(C)(C)c1ccc(CSc2nnc(N/N=C/c3cccc(Br)c3)[nH]2)cc1 253563951 FZDVWPCXQQPWEO-WSDLNYQXSA-N 444.402 5.603 30 10 IKEE CCCCCOC(=O)CSc1nnc(N/N=C/c2c3ccccc3cc3ccccc23)[nH]1 253574392 SOAIGFQFYIHFMV-MFKUBSTISA-N 447.564 5.383 30 10 IKEE C/C(=C/C(=O)c1c(O)c2ccccc2n(C)c1=O)Nc1ccc(N=Nc2ccccc2)cc1 254349241 NDUUHVVPPBPVNQ-XYVYOHKZSA-N 438.487 5.858 30 10 IKEE CCN(CC)c1ccc(C=NN=C2CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)cc1 254405823 XLLVCEWUWMRFCJ-ODNCNNFYSA-N 443.635 6.570 30 10 IKEE COCCN1C(=O)/C(=C\c2cn(C(C)C)c3ccccc23)SC1=Nc1ccc(OC)cc1 254814215 CFFJQCHIQBJBOM-ZQXLJOGCSA-N 449.576 5.481 30 10 IKEE COc1ccc(C=NNC(=S)Nc2ccccc2)cc1CSc1nc2ccccc2[nH]1 263628999 MXKPRWUUTPBDAL-UHFFFAOYSA-N 447.589 5.184 30 10 IKEE C#CCOc1ccc(Br)cc1CNc1ccc(NC(=O)OC(C)(C)C)cc1 312207206 ODBXQHVDNQDKRX-UHFFFAOYSA-N 431.330 5.420 30 10 IKEE CCOc1cc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccccc2)ccc1O 526799223 DGUNNPGWNISAEE-ONUIUJJFSA-N 444.560 5.148 30 10 IKEE CC(C)c1ccc(/C=C/C(=O)[C@H]2C[C@H](NC(=O)Nc3ccc(C(C)(C)C)cc3)CCN2)cc1 586091377 QWNQCDOYCOTQDX-HNHXPNAOSA-N 447.623 5.632 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCO[C@@H](C(C)(C)C)C1 721574537 HDIIMOBNXOYQGA-UTKZUKDTSA-N 437.378 5.678 30 10 IKEE Cc1ccc(C=Nc2ccc3cc4ccc(N=Cc5ccc(C)s5)cc4nc3c2)s1 1083986921 ZQLXOHIEDFTTKK-UHFFFAOYSA-N 425.582 7.629 30 10 IKEE Cc1ccc(CSc2nc3ccc(N=Cc4cc(Cl)ccc4O)cc3s2)c(C)c1 1084157656 SMWQQYQRVXJNQK-UHFFFAOYSA-N 439.005 7.315 30 10 IKEE CCCCCCN(CCCCCC)CN1C(=O)C(=Nc2cccc(C)c2C)c2ccccc21 1084536207 OOWGYTXCFBBGDT-UHFFFAOYSA-N 447.667 7.191 30 10 IKEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc2c(nc1O)CC[C@@H](CC)C2 1136557649 MLIJXOCPBNDKGV-CQSZACIVSA-N 447.348 5.032 30 10 IKEE C=CCCC(C)(C)CNC(=O)CSCc1nc(O)c2c(-c3ccccc3)csc2n1 1462037212 MFYJECLELKFAKV-UHFFFAOYSA-N 441.622 5.406 30 10 IKEE Cc1ccc(C(=O)ON=C2C[C@@]3(C(=O)Nc4ccc(C(C)C)cc4)CC[C@@]2(C)C3(C)C)cc1 1772722862 YXUPKPQUXJXFIN-VSGBNLITSA-N 446.591 6.486 30 10 IKEE O=C1NC(=NN=Cc2ccc(-c3ccccc3Cl)o2)S[C@H]1Cc1ccc(Cl)cc1 1772742102 ZTRJVFGOHSVUGG-IBGZPJMESA-N 444.343 5.418 30 10 IKEE Cc1c(C(=O)Nc2ccccc2F)oc2c1C(=NNC(=S)Nc1ccccc1)CCC2 1772750418 SSSFQWQNNYRVON-UHFFFAOYSA-N 436.512 5.006 30 10 IKEE CCCCCCCOc1cccnc1NC(=O)Nc1ccc(OCc2ccccc2)cc1 1858854239 WGZRRAGYCLUARN-UHFFFAOYSA-N 433.552 6.654 30 10 IKEE Cc1nc(C(C)C)sc1C(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N 1859744029 RDGLZIOFLYQMGA-UHFFFAOYSA-N 427.529 6.626 30 10 IKEE CCCOc1ccc(/C=N/NC(=S)NC(c2ccccc2)c2ccccc2)cc1OC 1860499466 MSJXEBFSHQIFOH-NLRVBDNBSA-N 433.577 5.072 30 10 IKEE CCCCCCCCCCn1c(C)cc(OCCOc2cccc3ccccc23)cc1=O 1860784780 FPWLIMHOUDWFLG-UHFFFAOYSA-N 435.608 6.908 30 10 IKEE N#Cc1ccccc1NC(=O)c1ccc(NC(=O)CCc2ccc(Br)cc2)cc1 1860915101 CHYHXLWQKCVJDB-UHFFFAOYSA-N 448.320 5.144 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(C(C)C)cc1 1862381094 ROJUBLVJZCWYKB-LHSJRXKWSA-N 446.374 6.494 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccccc2Cl)=C(O)C(=O)N1CCc1ccccc1 1862429630 QXDXZCLOLSKHCW-HSZRJFAPSA-N 431.919 5.469 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1 1862477035 RMURJZDKNDFBEW-QFIPXVFZSA-N 441.955 5.434 30 10 IKEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccccc2)cc1 1862487004 QBMAQQXQOQLWSC-KBMIEXCESA-N 441.527 5.652 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCc2cccs2)cc1 1862489216 RWMBJIBEXOARTD-HSZRJFAPSA-N 447.556 5.195 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2cccc(Cl)c2)cc1 1862516828 YDMITOZXEOUCIQ-NRFANRHFSA-N 427.928 5.363 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1cccc(O)c1 1862535055 ZKHVZVLZUKSJMU-QPPBQGQZSA-N 435.564 5.892 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2cccc(C)c2)cc1 1862535123 ZSGNMLVKBLJFDZ-VWLOTQADSA-N 425.528 5.378 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862539951 CKHBNVNAGVNHSZ-DFBJGRDBSA-N 449.591 6.195 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccccc2Cl)cc1 1862556546 ZJPXOYYGVIRJJD-HSZRJFAPSA-N 446.934 5.263 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(C(=O)O)cc2)cc1 1862616064 POQGVNBTQBGYCA-JOCHJYFZSA-N 447.531 5.203 30 10 IKEE COc1cc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C2CCCC2)ccc1O 1862654352 ZNAYRUNQJDOVAW-DEOSSOPVSA-N 443.499 5.075 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(C(C)C)cc2)=C(O)C(=O)N1Cc1ccncc1 1862660907 RNQCTRQWZUZYGS-XMMPIXPASA-N 426.516 5.292 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(C)cc2)cc1 1862675019 ZUCREZWTOOAHLV-XMMPIXPASA-N 429.491 5.264 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cccc(C)c2)c1 1862676639 NVCHBQLIQWJSME-XMMPIXPASA-N 445.490 5.311 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)cc1 1862694347 HKVHUYISCOJZHU-VXWZWFMZSA-N 449.547 5.251 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccccc1F 1862703912 ZWILBAQWSMHTNU-MBSDFSHPSA-N 439.527 5.772 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)cc1Cl 1862744306 MBYAYLLDOHHDTL-GOSISDBHSA-N 449.290 5.136 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(F)cc2F)C1=O 1862942307 GZUURWNCFKNRRL-UHFFFAOYSA-N 449.844 5.195 30 10 IKEE CSc1cccc(NC2=C(c3ccc(F)c(C)c3)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1863095233 MWZSDRFSABUWNM-UHFFFAOYSA-N 443.503 5.124 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(C)cc(C)c2)=C(c2c[nH]c3ccccc23)C1=O 1863487157 PNSFCPMQDLHGDS-UHFFFAOYSA-N 443.591 6.337 30 10 IKEE CCCCCCCCCCNC1=C(c2cccc3ccccc23)C(=O)N(CCCO)C1=O 1863580527 SNBYGCMCGVWVHT-UHFFFAOYSA-N 436.596 5.032 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N1CCN(c2ncccn2)CC1 1866342790 ZHKZHAUAWOVLCT-UHFFFAOYSA-N 430.681 6.387 30 10 IKEE CCCC[C@@H](NC(=O)C[C@@H](c1ccc(F)c(C)c1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866768818 YIKDXYJCXZIRNY-ISKFKSNPSA-N 437.559 5.449 30 10 IKEE CCC[C@@H](NC(=O)c1ccc(-c2cc3ccccc3[nH]2)cc1)C(=O)Nc1cccc(C#N)c1 1867061074 HOSSEEMPXIJMGT-XMMPIXPASA-N 436.515 5.244 30 10 IKEE CCCC[C@H](NC(=O)C[C@@H](CC(C)C)c1ccc(F)cc1)C(=O)Nc1ccccc1C#N 1867104409 OPPWHAGTTOHHNJ-QPPBQGQZSA-N 437.559 5.531 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N2CCC[C@@H](C)C2)nn1-c1ccc(OC)cc1 1869987418 CVWUACHFFSVSGB-LJQANCHMSA-N 427.593 5.201 30 10 IKEE Cc1ccc(Cl)cc1-n1nnc(C#N)c1NC(=O)/C=C/c1ccc(Cl)c(Cl)c1 1870142319 LYWXWGQWHLPZTI-QPJJXVBHSA-N 432.698 5.060 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2F)c(CSc2ccccn2)cc1=O 1870259626 AQVBZFCQUHWMBF-UHFFFAOYSA-N 440.584 6.072 30 10 IKEE C=CCn1cc(OCC2CCCCC2)c(=O)cc1CSc1ccc(Br)cc1 1870276607 YTDYUTZMFQLUFZ-UHFFFAOYSA-N 448.426 6.048 30 10 IKEE CCCCCCCCCCn1cc(OCc2c(C)cc(C)cc2C)c(=O)cc1CN(C)C 1870379405 GUVFGTNTXOUIKA-UHFFFAOYSA-N 440.672 6.555 30 10 IKEE CCCCCCCCn1cc(OCC(=O)NCC)c(=O)cc1CN(CCCC)CCCC 1870532166 SWYYURVCCYHXSE-UHFFFAOYSA-N 449.680 5.126 30 10 IKEE CCCCCCCOc1cn(CCN(CC)CC)c(CNc2cccc(C)c2)cc1=O 1870837816 ZQYIAYQQBXRMND-UHFFFAOYSA-N 427.633 5.460 30 10 IKEE CCCCCCCOc1cn(CCNC(C)=O)c(CNc2ccc(C(C)C)cc2)cc1=O 1870838899 ZWLINMLZBCMLHQ-UHFFFAOYSA-N 441.616 5.069 30 10 IKEE C=CCn1cc(OCCCOc2ccc(CC)cc2)c(=O)cc1CNc1cccc(C)c1C 1870880756 ABFSZHFCIMQKGI-UHFFFAOYSA-N 446.591 5.674 30 10 IKEE Cc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2cccc(Cl)c2)C4)cc1 1871348022 LGWDNFCWMSIGSE-FMCGGJTJSA-N 431.919 5.925 30 10 IKEE COc1ccc([C@H](C)N2COc3c(cc4c(c3C)O/C(=C\c3cccc(F)c3)C4=O)C2)cc1 1871359686 VTBHTFITWFPGOO-VJUVOTIISA-N 445.490 5.672 30 10 IKEE Cc1cc(OC(=O)c2cc(Cl)ccc2Cl)cc2c1C(=O)/C(=C/c1cccc(F)c1)O2 1871381551 VSOJNKJBGKICKW-UKWGHVSLSA-N 443.257 6.276 30 10 IKEE C[C@H]1C[C@@H](C)CN(Cc2c(O)ccc3c2O/C(=C\c2ccccc2OC(F)F)C3=O)C1 1871396687 REBUDMNXPJYNKG-SQXLMCOJSA-N 429.463 5.088 30 10 IKEE Cc1cccc(OCCCCOc2cc(C)c3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)c1 1871403430 LHIJLBCREXMEDS-WKFBJJRUSA-N 440.539 6.714 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccc(F)cc4)cc(C)c3C2=O)cc1 1871403514 XZIJYVHXCUHUAC-SNNLMFDCSA-N 445.490 5.719 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(O[C@@H](C)C(=O)Nc3cccc(C)c3C)ccc2C1=O 1871413177 BIKUVGCPTHYLIQ-BDFPJNNISA-N 443.499 5.334 30 10 IKEE Cc1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)c1C 1871413269 CONYEGGDZJBXSB-GHRPQRKGSA-N 447.918 5.979 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OCc3cccc(Oc4ccccc4)c3)ccc2C1=O 1871436756 OFLRGCFFDOFSCQ-QRQIAZFYSA-N 434.491 6.983 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc(C)c4C)cc(C)c3C2=O)cc1 1871459204 KXXATAIHMRPRIZ-CFRMEGHHSA-N 427.500 5.554 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc3c(c2C)O/C(=C\c2cccc(Cl)c2)C3=O)c1 1871460266 CVMJSKUASRALJE-QRVIBDJDSA-N 447.918 5.899 30 10 IKEE CC(C)c1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 1872759519 RDSWNQNYGPDSDN-NTCLMWMPSA-N 448.591 7.490 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)cc3[N+](=O)[O-])n2)c(C)c1C 1872778994 YWVCABCXXHMNMO-MRXNPFEDSA-N 441.896 5.487 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@@H](C#N)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)n1 1872780127 AIZANSNUIQLKTM-AIADIJKESA-N 433.489 5.233 30 10 IKEE CCCCCCCCNC1=C(c2ccc(-c3ccccc3)cc2)C(=O)N([C@H](C)CC)C1=O 1873089103 UEPOUNQUJQSEGF-OAQYLSRUSA-N 432.608 6.182 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(OC(C)C)cc2)=C(c2cccnc2)C1=O 1873269154 MWUUKIJITITEFI-UHFFFAOYSA-N 435.568 5.421 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1cccc(C(F)(F)F)c1)n2C 1873619435 AECUYNXUOYJBGW-UHFFFAOYSA-N 447.505 6.012 30 10 IKEE C=CCn1c(C(=O)Nc2ccc3n[nH]cc3c2)cc2c(NCCCCCCCC)ncnc21 1873621570 XKKZXLZDEIEWTK-UHFFFAOYSA-N 445.571 5.518 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(Cl)c2)cc2c(N(CCCC)CCCC)ncnc21 1873662756 YQMTXNLRMHHYCY-UHFFFAOYSA-N 439.991 5.930 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)c(C)c2)cc2c(N3C[C@@H](C)C[C@@H](C)C3)ncnc21 1873666330 NIIYXQLUNHWPEE-IYBDPMFKSA-N 437.975 5.314 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(N(CC)CC)cc2C)cc2c(N3CCCCC3)ncnc21 1873669172 PCTBQTQJGUAIQQ-UHFFFAOYSA-N 446.599 5.015 30 10 IKEE CCCCCOc1ccccc1/C=N/Nc1ncnc2c1[nH]c1cc(OC)c(OC)cc12 1873795573 REAUAKAROQDJFC-MZJWZYIUSA-N 433.512 5.143 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CCCOc2ccc(C)cc2)nnc1SCC 1874252653 SIUCCCRZRPLALN-XIEYBQDHSA-N 436.581 5.157 30 10 IKEE CCCSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccc(C(C)C)cc1 1874268767 DQGTXNVOYJYPQO-ZVHZXABRSA-N 428.989 6.018 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc(OC)cc1 1874278741 AZMGADQBMUTCQO-ZVHZXABRSA-N 426.973 5.276 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2cccc(F)c2)nnc1-c1ccccc1Cl 1874365981 FQCHESHMOJHQSS-VULFUBBASA-N 436.943 6.221 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccccc3)n2/N=C/c2ccccc2Cl)c1 1874383697 IMUYCEYMSBOCQK-CVKSISIWSA-N 448.979 5.993 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(Cc2cccs2)nnc1SCc1ccccc1 1874412367 LATJSPFKPBILDY-KOEQRZSOSA-N 446.601 5.670 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2ccccc2)cc1C 1874426693 VTBGAPCGDRTUGI-WGOQTCKBSA-N 441.560 5.175 30 10 IKEE Cc1ccccc1CSc1nnc([C@@H]2CCCO2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874442459 CIAJWCOOWFIVDY-JMJNUIHMSA-N 446.498 5.631 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1cn(C)c2ccccc12 1874476149 HSNCGGPKDDDWNG-CVKSISIWSA-N 431.609 5.904 30 10 IKEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2C(C)(C)C)cc1 1874483873 SCXPOTWNTMIEGN-CVKSISIWSA-N 449.624 5.368 30 10 IKEE CCOc1c(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C(C)C)cccc1OC 1874515651 JOZSCJWEVBOIQO-ZMOGYAJESA-N 444.988 5.637 30 10 IKEE CCCOC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(Cl)cc1Cl 1874573585 VPSXFWSNNLUAQU-XVNBXDOJSA-N 427.711 5.875 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(C)cc2C)c1OCc1cccc(Cl)c1 1874579143 YWASSLAORNQGRS-CSKARUKUSA-N 441.354 7.094 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)c1OCc1ccccc1F 1874588832 HNGMFBRRQRLKFO-VAWYXSNFSA-N 440.898 6.280 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1)c1ccc2c(c1)OCO2 1874620969 CLMVYVQLSQDIOI-VMPITWQZSA-N 427.283 6.197 30 10 IKEE COC(=O)COc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1Br 1874622942 DAVGTQPSLMUXHH-PKNBQFBNSA-N 425.278 5.050 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OCC(=O)Nc1cc(C)ccc1C 1874625690 RFVULALYLWWSAJ-WUXMJOGZSA-N 433.479 5.365 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)cc2)c1 1874629079 LCKZABCJWKKSRA-FMIVXFBMSA-N 441.571 6.451 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1OC(=O)CC1CCCCC1 1874695194 OPWUXLVJQZTPDW-YRNVUSSQSA-N 447.358 6.774 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cccc(Cl)c3)c2)cc1C 1874696478 YALRYUZOWGIUOX-JXMROGBWSA-N 436.891 5.781 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(Cl)c1OC(=O)c1ccccn1 1875101135 OQZHBHQBOVJGJG-JLHYYAGUSA-N 435.907 5.811 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc(Br)c3)cc2)cc1 1875114751 UCWIVGMJOOKMQL-VGOFMYFVSA-N 437.289 5.573 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)c2ccc3c(c2)OCO3)c(Cl)c1 1875119003 ZEDIAAVXUIPNIY-RMKNXTFCSA-N 436.847 5.193 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OC(=O)Cc1ccc(C)c(C)c1 1875127233 UJJFXNQJEVFUTJ-OUKQBFOZSA-N 448.946 6.400 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3ccc(/C=C/C(=O)c4ccccc4)cc3Cl)c(C)c2c1 1875127867 BXKNPOFQYPWRNF-FMIVXFBMSA-N 429.903 6.553 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC(=O)CC(C)C 1875132457 FOBBDCBQBRXSHY-JXMROGBWSA-N 447.358 6.578 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC(=O)C1CCC1 1875135624 ZRFBTZUJEFSMRZ-RMKNXTFCSA-N 435.303 5.612 30 10 IKEE COc1cc(C(=O)/C=C/c2ccc(OC(=O)CC(C)(C)C)c(OC)c2)c(OC)cc1Cl 1875172903 CFJMVPSNFVBCCD-VQHVLOKHSA-N 446.927 5.604 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)c1cnccn1 1875190701 MUVVUQPDYOKZRI-XVNBXDOJSA-N 443.286 5.297 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)ccc1OC(=O)C1CCCC1 1875192344 HEIULAMJGKXLQC-NTCAYCPXSA-N 444.527 6.239 30 10 IKEE C=CCn1c(C(=O)N2CCc3ccccc3C2)cc2c(NCCCCCCCC)ncnc21 1875229792 GATMIAQDMPYOES-UHFFFAOYSA-N 445.611 5.588 30 10 IKEE CC1(C)OB([C@@]2(C)CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)OC1(C)C 1891516576 IPYWKAIPJKXDLA-SANMLTNESA-N 433.357 5.494 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCC(C)(C)C[C@H]1CNC(=O)OC(C)(C)C 1927164035 BETLMENHQKUCPS-LLJLJFOGSA-N 437.625 5.635 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)C1(C#N)C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 1931346494 GISKZUKAJSRAAU-VKSRLUHHSA-N 431.580 5.513 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1944587229 BITFQKHCNYDTNF-HJPURHCSSA-N 449.979 5.669 30 10 IKEE CC(C)C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(CC(C)C)C(=O)OC(C)(C)C 1944819428 IVVYHLASZUAXGO-YADARESESA-N 437.625 5.445 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CC12CCC(C#N)(N(C(=O)OC(C)(C)C)C1CCC1)CC2 1996454333 NOJAQPXKQIUPNH-ZPSAWSNLSA-N 433.593 5.143 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]1(CCF)CCCN1C(=O)OC(C)(C)C 2023629380 BHOCQSOZFPJZRW-RDGATRHJSA-N 434.596 5.257 30 10 IKEE CC1(NC(=O)OC(C)(C)C)CCC(C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)CC1 2027792024 APBURKCOKBVZOI-UHFFFAOYSA-N 449.636 6.066 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@H](C#N)c1cc(Cl)cc(Br)c1 2027902100 UREFOTRBCHTJCJ-QGZVFWFLSA-N 427.770 6.237 30 10 IKEE CC1(C)C[C@@H]([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)N(C(=O)OC(C)(C)C)C1 2033723844 RLCMWLDZHHIBPQ-RBUKOAKNSA-N 447.551 5.495 30 10 IKEE CCCCCCCCCCCC[C@H](N)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2034426242 KIDRKNXLYOGFKY-LOSJGSFVSA-N 448.692 6.735 30 10 IKEE C#CC[C@@H](C[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C1CC1 2075955365 DYCPUQICWYURDO-AHKZPQOWSA-N 426.556 6.318 30 10 IKEE Cc1ccc([C@H](C2CCC2)n2nc(C3(C)CC3)c(/C=N/O)c2I)cc1 2079023075 MXYSLDZBBGGOCO-QQZPLFJDSA-N 449.336 5.045 30 10 IKEE N#Cc1c(C2CC2)nn([C@@H](c2ccc(C3CC3)cc2)C2CC2)c1I 2079026462 CBXSVNPCZLQIPF-IBGZPJMESA-N 429.305 5.114 30 10 IKEE Cc1ccc([C@@H](C2CCC2)n2nc(C(F)(F)F)c(C#N)c2I)cc1 2079041861 ZYRMERBMJCZQIK-CQSZACIVSA-N 445.226 5.076 30 10 IKEE CCc1ccc([C@H](n2nc(C(F)F)c(C#N)c2I)C2(C)CC2)cc1 2079137825 QQJDJEWXRUZZAJ-HNNXBMFYSA-N 441.263 5.249 30 10 IKEE Cc1cc(C)c([C@@H](C2CC2)n2nc(C(C)C)c(C#N)c2I)cc1C 2079139000 OFSCRRSKUGPXPZ-LJQANCHMSA-N 433.337 5.407 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Cl)cc(Br)c1 2081567556 CUTJFTUOPVSIIW-IRXDYDNUSA-N 431.802 5.613 30 10 IKEE CC[C@@H]1CC[C@H](Nc2cc(Br)cc(F)c2C#N)CN1C(=O)OC(C)(C)C 2107452095 ZADYXLZACHESSX-UONOGXRCSA-N 426.330 5.050 30 10 IKEE C#C[C@H](NCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C1CCCCC1 2138972447 DCNYJYAOEUBRAR-NDEPHWFRSA-N 439.599 6.516 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(C)ccc(Br)c1F 2159120522 ILMDODOKNWQHTE-VQIMIIECSA-N 441.385 5.244 30 10 IKEE CO[C@@H]1CC(C)(C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2162039043 OAGCLKMNHFYVRM-DYESRHJHSA-N 437.378 5.678 30 10 IKEE CC(C)(C)OC(=O)N1CCc2c(cccc2Nc2cc(Br)ccc2C#N)C1 2162420460 VOBQEKPXAGLFRB-UHFFFAOYSA-N 428.330 5.358 30 10 IKEE CCCCN(C[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(C#N)cc1Br 2174814785 LKXNDYVWMSDPBN-QGZVFWFLSA-N 436.394 5.327 30 10 IKEE CCCCCC#CC[C@H](NCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2203809284 FEDPKHLIQBBAKF-IBGZPJMESA-N 437.422 6.421 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(F)c(Br)c(F)c1 2207140377 BMQIKDBSLSHCMI-WMZOPIPTSA-N 445.348 5.075 30 10 IKEE CCCCCCC[C@H](N)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2229108866 BRXPIUIZFNGLLE-OALUTQOASA-N 427.427 5.573 30 10 IKEE CCCCCC#CC[C@@H](O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237395086 XYPQLQQEKLBXLY-WOJBJXKFSA-N 438.406 5.220 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(C#N)c(Br)c2)C[C@@H]1C(F)(F)F 2279226974 DHGQEPQOQNEELQ-UKRRQHHQSA-N 448.283 5.063 30 10 IKEE C=CCCC1([C@@H](Cc2ccc(Br)cc2)NCC)CN(C(=O)OC(C)(C)C)C1 2281054518 YGXKYKWLHIJHKI-LJQANCHMSA-N 437.422 5.173 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3cc(OCc4ccc(F)cc4Cl)ccc3C2=O)cc1 2314437720 UWTFTKGALXQDNI-UHFFFAOYSA-N 436.910 6.972 30 10 IKEE Cc1occc1C(=O)Nc1cccc(C(=O)C=Cc2ccc(-c3cccc(Cl)c3)o2)c1 2314523072 IBEUXIZBPVFBQL-UHFFFAOYSA-N 431.875 6.650 30 10 IKEE CSC1(C#C[C@H](O)c2ccc(NC(=O)OC(C)(C)C)c(Br)c2)CCC1 2314655977 XHMDSHFTQXRVGP-INIZCTEOSA-N 426.376 5.119 30 10 IKEE Cc1ccc(C)c(COc2ccc3c(c2C)OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)c1 2321758096 MQXJVSIWCWGKIJ-UHFFFAOYSA-N 426.556 7.105 30 10 IKEE C[C@H](c1ccccc1)c1nnc(S)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2321962531 HIVOCUREAWXHBP-QGZVFWFLSA-N 448.979 5.833 30 10 IKEE COc1ccc([C@H](C)N2COc3cc(C)c4c(c3C2)OC(=Cc2ccc(C)cc2)C4=O)cc1 2322244633 HLIQNHAJBBNYTC-IBGZPJMESA-N 441.527 5.841 30 10 IKEE COC(=O)c1ccc(COc2c(C=CC(=O)c3ccccc3)cc(Cl)cc2OC)o1 2322545783 RDQRWEMHFRKIMW-UHFFFAOYSA-N 426.852 5.203 30 10 IKEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1ccc2c(c1)OCCO2)Nc1ccccc1 2322680105 IGXOJVIKDTXEJH-UHFFFAOYSA-N 449.890 5.025 30 10 IKEE Cc1c(OC(=O)c2cc3ccccc3o2)ccc2c1OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2322842771 HIEMDXBXLBTPCO-UHFFFAOYSA-N 441.395 5.485 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCc2ccc(Cl)c(Cl)c2)c(OC)c1 2322901565 OHLQUUDZLHPAFE-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE COc1cc(C=NNc2ccccn2)ccc1OCc1c(Cl)ccc(Cl)c1Cl 2322931776 WDVNLNBPGPMSHK-UHFFFAOYSA-N 436.726 6.075 30 10 IKEE CCOc1cc(C=NNc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 2322952798 CRBWMJDFEUZGRB-UHFFFAOYSA-N 449.765 7.071 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccco1)C2=O)C(Br)=Cc1ccccc1 2323444413 RTYWWVGMJQGEDM-UHFFFAOYSA-N 437.245 5.237 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCc3cccc4ccccc34)c([N+](=O)[O-])c2)cc1 2323471464 GNHDGSYZKUAZKE-UHFFFAOYSA-N 437.495 6.786 30 10 IKEE Fc1ccc(Cc2nnc(S)n2N=Cc2ccc(OCCCc3ccccc3)cc2)cc1 2323540907 HWQQGOGRBUFZHL-UHFFFAOYSA-N 446.551 5.191 30 10 IKEE C[C@H]1CCCN(Cc2c(O)ccc3c2OC(=Cc2ccccc2Br)C3=O)C1 2324066403 GFKKVCWAPQNMEM-AWEZNQCLSA-N 428.326 5.003 30 10 IKEE C=C(C)COc1c(Br)cc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1OC 2324305738 SXKFERFWPZYAEM-UHFFFAOYSA-N 445.353 5.934 30 10 IKEE C=CCc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OCc1ccccc1 2324356336 JQLCWJPKTCJHRS-UHFFFAOYSA-N 440.583 7.132 30 10 IKEE O=C1C(=Cc2ccc([N+](=O)[O-])cc2)Oc2cc(OCCCCOc3ccccc3)ccc21 2324574728 APECOICBIJJTQV-UHFFFAOYSA-N 431.444 5.449 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(OCc4cccc5ccccc45)c3C)C2=O)cc1 2325272778 WNHYTAPBPHECJC-UHFFFAOYSA-N 436.507 6.742 30 10 IKEE CCCCCCCCC(=O)Oc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OC 2325699689 RGOYVJSEUOSCMU-UHFFFAOYSA-N 444.571 7.401 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccccc3-c3ccccc3)c2)cc1 2325734988 DSQRMLREZLJMOV-UHFFFAOYSA-N 448.518 6.868 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(O)c(Cl)c1 2326552135 GSMSCWLLCCVJAY-UHFFFAOYSA-N 435.380 5.808 30 10 IKEE CCOc1ccc(OCc2nnc(SC)n2N=Cc2ccc(Cl)c(Cl)c2)cc1 2326629247 SJUOZAYHURPCCK-UHFFFAOYSA-N 437.352 5.167 30 10 IKEE C(=Nn1c(CC23CC4CC(CC(C4)C2)C3)nnc1SCc1ccccc1)c1ccccc1 2326911242 PRCGUCZUQPXDLM-UHFFFAOYSA-N 442.632 6.212 30 10 IKEE CCSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1ccc(Cl)c(Cl)c1 2327175136 NXAWXOLKFSHNST-UHFFFAOYSA-N 449.407 5.899 30 10 IKEE CCCCC1CCC(c2nnc(SCC(=O)OCC(C)C)n2N=Cc2ccco2)CC1 2328194929 GKPIBEMLGRZQJX-UHFFFAOYSA-N 446.617 5.509 30 10 IKEE CCCOC(=O)CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccccc1Cl 2329622601 MKBIOGVPSLSMIK-UHFFFAOYSA-N 449.363 5.179 30 10 IKEE COc1cccc(C=Nn2c(COc3ccccc3)nnc2SCc2ccc(F)cc2)c1 2329883925 KNENIYUUZXZUGI-UHFFFAOYSA-N 448.523 5.179 30 10 IKEE COc1ccc(C=Nn2c(COc3ccccc3)nnc2SCc2cccc(C)c2)cc1 2329888192 MBXBMRNYYWXUAU-UHFFFAOYSA-N 444.560 5.349 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2)n1N=Cc1ccc(N(C)C)cc1 2330108612 YZXAJXPLXTUSGL-FQEVSTJZSA-N 441.604 5.670 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCCc3ccccc3)nnc2[C@H](C)c2ccccc2)c1 2330115293 XRCWSFXVCSTBJG-HXUWFJFHSA-N 442.588 5.661 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(OC)c2)cc(Cl)c1OC(=O)C(C)C 2330726909 HGEYUHYCARWQSS-UHFFFAOYSA-N 432.900 5.213 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)c1cccnc1 2331104297 DTARWQVFHNPJMS-UHFFFAOYSA-N 435.426 5.212 30 10 IKEE O=C(Cc1ccccc1F)Oc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] 2331123907 MLNXXVSECWTBQR-UHFFFAOYSA-N 439.826 5.432 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OC(=O)c1cccc(Cl)c1 2331159513 GXKREGPFWWQERP-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE COCCc1nnc(SCc2ccccc2C)n1N=Cc1ccc(Cl)cc1Cl 2331245714 MMAKORRABKBSFA-UHFFFAOYSA-N 435.380 5.257 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)cc(OC)c1OC(=O)c1ccccc1 2331471094 MIWHKSFWNCWIEM-UHFFFAOYSA-N 438.479 5.972 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1 2331493410 GYJSPNFMHSHQJF-UHFFFAOYSA-N 439.338 7.232 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1 2331592293 QDCAGLZCYRXHET-UHFFFAOYSA-N 448.518 6.913 30 10 IKEE COCCC(=O)Oc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1Br 2331646946 IWEYEDZTIHRERJ-UHFFFAOYSA-N 445.353 5.521 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2cncc(C)c2)c([N+](=O)[O-])c1 2331665310 FYPPCOVMROZHQH-UHFFFAOYSA-N 446.459 5.039 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2ccc(OC(=O)c3ccccc3C)cc2)cc1Cl 2331695890 XUVXDSIVMPKFRE-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2Cl)c1 2331705758 JCLSHUHNYOQZGP-UHFFFAOYSA-N 432.947 6.618 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)[C@@H](C)c1ccccc1 2331779673 ALWBQZDKIJJZIM-QFIPXVFZSA-N 442.555 6.616 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccs3)c(Cl)c2)cc1Cl 2331818857 OVSGLUIFAFCOEF-UHFFFAOYSA-N 433.312 6.179 30 10 IKEE CN(CC(C)(C)CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2339590112 IJSAFQHRRVHECO-UHFFFAOYSA-N 445.413 5.031 30 10 IKEE CC[C@H](Nc1ccc(OCc2ccccc2)cc1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363843347 HOYRWEIJOISXSN-SANMLTNESA-N 443.396 6.128 30 10 IKEE COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C/c1ccc(-c3ccccc3)cc1)C2=O 2418543 ONAMQZRPEUGFAU-WPWMEQJKSA-N 448.474 6.198 30 10 IKEE CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cccc(Oc2ccccc2)c1 3660824 SDRLKPATTZKQNW-UHFFFAOYSA-N 442.555 6.879 30 10 IKEE COc1cc(/C=C/c2nc(C#N)c(NCc3ccc(Cl)cc3)o2)cc(OC)c1OC 16768454 DFYIOAUXDSBAHB-RMKNXTFCSA-N 425.872 5.008 30 10 IKEE CCOc1ccc(/C=C2\CS/C(=C\c3ccc(OCC)c(OC)c3)C2=O)cc1OC 20151915 IHNGRUIGEDESGY-QBEGAQPDSA-N 426.534 5.242 30 10 IKEE COc1ccc(OC)c([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)c1 21251561 XVDKIPSPRWOPMI-BZQUYTCOSA-N 432.545 5.745 30 10 IKEE N#Cc1ccc(S(=O)(=O)N2CCC(CCc3ccc(-c4ccccc4)cc3)CC2)cc1 23323292 MHYINCZFUZIMLG-UHFFFAOYSA-N 430.573 5.259 30 10 IKEE C=CCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccc(C)cn2)c1 35514852 YRTDKLDYUUORRF-DEOSSOPVSA-N 438.483 5.119 30 10 IKEE C=CCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2[C@H]1c1ccc(OCCCC)c(OC)c1 40513274 UNUFJVPLXRXWOV-XMMPIXPASA-N 447.531 5.329 30 10 IKEE O=C1/C(=C/c2ccc(O)c(Cl)c2)CN(CC(F)F)C/C1=C\c1ccc(O)c(Cl)c1 98055705 MHMKQVYLBGJCLQ-PWSZKDBUSA-N 440.273 5.021 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)CNc1cccc(Cl)c1Cl 100068715 BGVDNPXOFMEWSP-UHFFFAOYSA-N 443.503 8.003 30 10 IKEE CCOc1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 102501572 MHYAJTQWIMJGKN-VFJWVMJUSA-N 433.891 5.365 30 10 IKEE Cc1ccc([C@@H]2/C(=C(/O)c3cccs3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 103092787 AMFJTEDWTWCDRX-GOBJLOIFSA-N 446.553 5.601 30 10 IKEE CCOc1cc(/C=N\S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1Cl 169908669 RCXUPQZTVBTUFF-MYYYXRDXSA-N 443.952 5.434 30 10 IKEE CN1C(=S)N[C@@H](c2cccc(OCc3c(Cl)cccc3Cl)c2)C2=C1CCCC2=O 169936841 LKILIGOGQFANSB-NRFANRHFSA-N 447.387 5.441 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccc(O)cc2)cc1 169959462 IIEXKKQAHGDBMH-SANMLTNESA-N 449.506 5.891 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1cccc(C)c1 169970373 SBJIUCZFDAIYLE-XMMPIXPASA-N 438.483 5.268 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2cccnc2)c1 170002518 OHTOOTZXVQEPAX-XMMPIXPASA-N 442.515 5.387 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2ccccc2)cc1 170029077 PQRJXFAMBMSJLA-SANMLTNESA-N 449.506 6.021 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccccc1 170052395 WCVKVONRICBNFY-QFIPXVFZSA-N 447.874 5.160 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccccc2F)c1 170069481 KGMJVHIPVWUDHN-HSZRJFAPSA-N 447.462 5.016 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccco2)cc1Cl 170092185 NNRGEQMLOJAFHE-IBGZPJMESA-N 444.270 5.378 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2sccc2C)cc1C 170106387 NMDBPEBSJRZWDW-HSZRJFAPSA-N 431.557 5.775 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccccn2)cc1 170170814 PVUVUJDHASBNFA-XMMPIXPASA-N 442.515 5.214 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@H]1c1ccccc1 170232887 YXPBRXIWBCXFIO-HSZRJFAPSA-N 435.564 5.761 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@@H]1c1ccc(F)cc1 170243716 DBEFAKKLOIXLDU-NRFANRHFSA-N 445.918 5.646 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2OC)[C@H]1c1ccc(C(C)C)cc1 170245923 WLUKGJVIERROJF-XMMPIXPASA-N 435.564 5.896 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2cccc(O)c2)cc1 170257865 FXXGRXNEOLSHJM-QHCPKHFHSA-N 447.462 5.101 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC(C)C)c3)[C@H]2c2ccco2)c1 170278652 SUMDOFMWLIRJKJ-HSZRJFAPSA-N 447.487 5.106 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccc(C)o2)c1 170297826 FCONOQUHOMSUHN-XMMPIXPASA-N 439.467 5.533 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(C)o2)cc1C(C)C 170310804 PVSKGAGTNKHSJO-HSZRJFAPSA-N 437.536 5.549 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1c(C)[nH]c2ccccc12 170312030 XERZLZCAULNONB-OWJWWREXSA-N 444.531 5.178 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2sccc2C)cc1 170316931 LXPMYYSTYGPDNQ-NRFANRHFSA-N 448.544 5.019 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(OC(C)C)cc2)cc1 170346880 SSWUIYMGJIESTE-DEOSSOPVSA-N 443.499 5.265 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(OCc2ccccc2)cc1 170438079 AXVCLWCKDIGGDN-VWLOTQADSA-N 445.515 5.369 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2cc(C)ccc2C)cc1 170453345 ROZQZDOCFRAWEV-VWLOTQADSA-N 434.580 5.665 30 10 IKEE COc1ccc2c(c1)c(B1OC(C)(C)C(C)(C)O1)cn2[Si](C(C)C)(C(C)C)C(C)C 199866758 XYDWXRXSBPUPHE-UHFFFAOYSA-N 429.486 5.973 30 10 IKEE Cc1ccc(N=C2S/C(=C/c3ccc4c(c3)OCO4)C(=O)N2c2ccc(C)cc2)cc1 252625173 QEPHNXKTLMAJFR-YZWRYSEFSA-N 428.513 5.841 30 10 IKEE Cc1ccc(/C=C2/SC(=Nc3c(C)cccc3C)N(c3c(C)cccc3C)C2=O)s1 252625634 QOFSONJZHICVCA-CCFCEYMNSA-N 432.614 7.099 30 10 IKEE C=C(C)[C@@H]1CC[C@@]2(C)CC[C@@]3(C)[C@H](CC[C@H]4[C@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@@]34C)[C@@H]12 253476249 MQYXUWHLBZFQQO-GRBSMWENSA-N 426.729 8.025 30 10 IKEE CCCCOc1ccc2ccccc2c1C=Nn1cnc2sc3c(c2c1=O)CCCC3 254595398 MANOFFIFOMLJPO-UHFFFAOYSA-N 431.561 5.551 30 10 IKEE Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1C1CC1 254607991 ZKQOYYSKIQLWCJ-QFIPXVFZSA-N 443.572 5.579 30 10 IKEE O=C(Nc1ccc(N=Cc2cc(Cl)cc(Cl)c2O)cc1)c1cc2ccccc2o1 254869800 LEWFXHAVEGPWDO-UHFFFAOYSA-N 425.271 6.448 30 10 IKEE C=C(CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]1CC[C@H]1[C@H]2CC[C@H]2C(C)(C)[C@H](O)CC[C@]12C 263619262 XTMCMWDQTSZMIH-YPWQBZICSA-N 446.716 6.111 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2sccc2C)c1OC 526607910 ZVJJJDUQIXCRBX-FQEVSTJZSA-N 432.501 5.003 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)cc2F)c1 526743999 IDINTBXKUZLXLD-HSZRJFAPSA-N 449.453 5.537 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1cccc(Cl)c1Cl 526804984 CCNDAFKWYANVMK-CFRMEGHHSA-N 433.408 6.410 30 10 IKEE CCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1ccc(OC(C)C)c(OC)c1 526811068 ARIAIHVKJTWRAL-QFEZKATASA-N 438.597 5.428 30 10 IKEE CCCc1nnc(SCc2ccc(Br)cc2)n1/N=C\c1cccc(F)c1 526820768 GVBQSDRDMFBUBP-UUYOSTAYSA-N 433.350 5.307 30 10 IKEE Cn1cc(/C=C2/C[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]3(C)C2=O)c(-c2ccccc2)n1 1081082928 ZWJGCLYWSNNVLL-NLWRGXJQSA-N 438.571 5.911 30 10 IKEE CC(C)(C)c1ccc(CSc2n[nH]c(NN=Cc3ccc(Br)cc3)n2)cc1 1084229940 ZKVAEFJDZMXWOV-UHFFFAOYSA-N 444.402 5.603 30 10 IKEE Clc1ccc(CSc2n[nH]c(NN=Cc3cccc4ccccc34)n2)cc1Cl 1084255926 ORGIJTSDDPFOHR-UHFFFAOYSA-N 428.348 6.003 30 10 IKEE C=CCOc1ccccc1CN(C(=O)c1cccc2nc(O)[nH]c12)c1ccc(C)c(C)c1 1628569616 QTNOZXZZTBSZDQ-UHFFFAOYSA-N 427.504 5.297 30 10 IKEE CN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC1=Nc1nccs1 1772737256 OCGNTOJWHUNHPN-YIFJCWOOSA-N 441.965 5.609 30 10 IKEE Cc1ccc(COc2ccc(/C=C3\SC(=Nc4cccnc4Cl)N(C)C3=O)cc2)cc1 1772738050 QQBUHAXNKRZWNT-PAMLCIOASA-N 449.963 5.856 30 10 IKEE N#Cc1c(N=Cc2ccc(N3CCOCC3)cc2)oc(-c2ccccc2)c1-c1ccccc1 1772743235 UNDSZEKRCCHENI-UHFFFAOYSA-N 433.511 6.072 30 10 IKEE O=C(ON1C(=O)c2ccccc2C1=O)[C@H](Sc1ccc(F)c(Cl)c1)c1ccccc1 1772789538 ARUHEMBUDZADBM-LJQANCHMSA-N 441.867 5.067 30 10 IKEE COc1ccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)nn2-c2cccc(Cl)c2)cc1 1859400802 ISIABVXMLLAHBO-UHFFFAOYSA-N 428.879 5.325 30 10 IKEE CC(C)(C)c1csc(NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1C#N 1860750311 QKMYPABOUBWYDN-UHFFFAOYSA-N 429.851 5.167 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@@H](C)CC 1861126017 MRPQJSJWEIDQIY-KTXLOSPWSA-N 445.604 5.396 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1F 1861473611 FHDSBASNOOQMPE-XMMPIXPASA-N 426.576 5.424 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](C)NC(=O)COc1ccc(OC)cc1C(C)(C)C 1861621374 FDGFVNHAXYWUNC-FQEVSTJZSA-N 448.648 5.133 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccccc1C(=O)O 1862384134 PMSGPNKCTSDNMA-ADLMAVQZSA-N 448.302 5.068 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2ccc(C)cc2)cc1 1862413478 DSOCLLBFELACJO-HSZRJFAPSA-N 449.453 5.060 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(C(F)(F)F)cc1 1862416042 JYVXCOBZFRBORP-VOJFVSQTSA-N 439.380 5.360 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(Cl)cc1 1862416066 CECVZEOTVLAHOQ-DYHNYNMBSA-N 445.893 5.775 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccccc2Cl)=C(O)C(=O)N1CCOc1ccccc1 1862429365 LNMQRXOPWITRIK-QHCPKHFHSA-N 447.918 5.306 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccccc1Br 1862439934 PYLHQRNVUXNYKE-GOSISDBHSA-N 448.744 5.337 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCCCC2)c1 1862479946 UJBHLZFLDSUPTD-RUZDIDTESA-N 447.575 6.085 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862488932 LTHGWUBCZXTJNZ-FNZWTVRRSA-N 439.555 6.205 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2cccc(Cl)c2)c1 1862491636 XUHRLYCXEPMVLH-DEOSSOPVSA-N 445.946 6.044 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2c(F)cccc2Cl)c1 1862495366 XMRYUTBHBUXHEZ-HSZRJFAPSA-N 449.909 5.874 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccc(F)cc2)c1 1862501650 HPHIAZIFOUBDLS-DEOSSOPVSA-N 447.481 5.669 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2ccc(OC)cc2)cc1 1862536143 RRURGMNTIRXPHZ-QHCPKHFHSA-N 447.556 5.140 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccc(O)cc1)c1ccc2c(c1)CCCC2 1862544893 NPPPMPNJDKUBRI-VWLOTQADSA-N 445.559 5.572 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(N)c2)=C(O)C(=O)N1CCc1ccc(Cl)cc1 1862555624 XWFCPAYXHQTXQW-HSZRJFAPSA-N 446.934 5.052 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C[C@@H](C)O)cc1 1862584139 QLYZDAZASPXSNX-ZUOKHONESA-N 448.346 5.076 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(OC)cc1 1862616779 FCABMKRMRLGDGI-QHCPKHFHSA-N 435.564 5.761 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc([N+](=O)[O-])c1 1862653266 CTKMWMXJGNVMTJ-HSZRJFAPSA-N 444.487 5.372 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(F)c2)cc1 1862661004 BDPNRSDQXCXSJB-HSZRJFAPSA-N 430.479 5.123 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1C1CCCCCC1 1862713903 ZKZOKUPBYZUAMD-SANMLTNESA-N 439.555 6.449 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 1862735880 SESAXMHDPZEVNU-NRFANRHFSA-N 438.455 5.035 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 1862751696 OWCAGLQCOHMAOU-NRFANRHFSA-N 448.862 5.027 30 10 IKEE CCCCc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(C)c(C)c3)C2=O)cc1 1862872112 BPPXJPCSZCJSRK-UHFFFAOYSA-N 449.554 5.914 30 10 IKEE CCCOc1cccc(NC2=C(c3ccc(C)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1862897360 KAVAKUVTPUNSNG-UHFFFAOYSA-N 437.499 5.052 30 10 IKEE N#Cc1cccc(N2C(=O)C(Nc3ccc4ccccc4c3)=C(c3ccccc3Cl)C2=O)c1 1863076732 XNWVSCGYJQSVES-UHFFFAOYSA-N 449.897 5.761 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3c[nH]c4ccccc34)C2=O)cc1C 1863122078 LQQRCGBPACBOLU-UHFFFAOYSA-N 432.483 5.053 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccccc2F)=C(c2c[nH]c3ccccc23)C1=O 1863817389 ITFOZLSLDWXWMJ-UHFFFAOYSA-N 447.554 5.537 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](CCCC)NC(=O)[C@H](c1ccc(Cl)cc1)C1CCCC1 1868880286 ZNYQLBKGDGTKNO-GOTSBHOMSA-N 431.020 5.489 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC(c3nc(C)c(C)s3)CC2)nc(-c2ccccc2)n1 1869198156 HTDKXVNWLYVTIE-UHFFFAOYSA-N 445.636 5.779 30 10 IKEE CCCCCCCCn1cc(OCC(=O)Nc2ccc(CCCC)cc2)c(=O)cc1C 1870084893 AZSDYVVQROLINH-UHFFFAOYSA-N 426.601 5.877 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)cc2Cl)c(=O)cc1CSc1ncccn1 1870232585 ZVULFLWSENDBSG-UHFFFAOYSA-N 434.348 5.002 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2c(C)cccc2C)cn1CCc1ccccc1 1870488964 AVXHDONPELHUDN-UHFFFAOYSA-N 442.603 5.461 30 10 IKEE CCCCCCCCn1cc(OCC)c(=O)cc1CNc1ccc(Br)cc1 1870784376 KLANXMOSTMXVFE-UHFFFAOYSA-N 435.406 5.982 30 10 IKEE C=CCn1cc(OCc2cccc(Cl)c2)c(=O)cc1CNc1cc(Cl)cc(Cl)c1 1870827079 FZRCEFKVIZZWHT-UHFFFAOYSA-N 449.765 6.186 30 10 IKEE CCCCCCCCCCn1cc(OCCCCC)c(=O)cc1CNc1cccc(C)c1 1871132772 WDEPHDBUZMHVRC-UHFFFAOYSA-N 440.672 7.479 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3c(ccc4c3CN([C@H]3CCCC[C@@H]3C)CO4)C2=O)c1 1871350596 MDHKGTCUGRVCJV-QJQPYVKGSA-N 435.520 5.051 30 10 IKEE CCCCN(CCCC)Cc1c(O)ccc2c1O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 1871393569 WRFYEBIZVCPQSP-BWAHOGKJSA-N 435.608 6.708 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(O[C@@H](C)C(=O)Nc3ccccc3)cc(C)c2C1=O 1871403838 BGVFSCCOJDUZJM-XHFXOGKZSA-N 443.499 5.416 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(O[C@@H](C)C(=O)Nc3ccccc3Cl)ccc2C1=O 1871406524 SPNYJHCHEAJVSB-YOBACFSGSA-N 433.891 5.671 30 10 IKEE Cc1c(O[C@H](C)C(=O)Nc2ccc(Cl)cc2)ccc2c1O/C(=C\c1ccccc1)C2=O 1871415180 VKIQYRVRPYRUFO-LRSOKBAUSA-N 433.891 5.671 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C)cc4C)cc(C)c3C2=O)cc1 1871418761 MACWZCFSTPFTNR-QFEZKATASA-N 441.527 5.808 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4c(C)cccc4C)ccc3C2=O)cc1 1871431140 FQGYGSZHFWVMEF-QETRNLNESA-N 441.527 5.888 30 10 IKEE Cc1ccc(NC(=O)CCOc2cc(C)c3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871431250 LIBQMFRFMCAFOG-UCQKPKSFSA-N 431.463 5.466 30 10 IKEE Cc1cc(OCCN2CCCCC2)cc2c1C(=O)/C(=C/c1ccc(Cl)cc1Cl)O2 1871451479 XEKOMRFVGHGTEB-MTJSOVHGSA-N 432.347 5.783 30 10 IKEE C=CCN=c1nc(Nc2ccc(OCCCCCC)cc2)[nH]c(N2C[C@@H](C)C[C@@H](C)C2)n1 1871610534 HLZLWPTXERLZSP-BGYRXZFFSA-N 438.620 5.076 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)CCCC 1871788776 RCQGOHKKAQKWDJ-GOSISDBHSA-N 435.417 5.109 30 10 IKEE C=CCN([C@H](CC)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1ccc(Cl)cc1 1871823372 IXDNMONDNXGUBK-JOCHJYFZSA-N 449.016 5.277 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)CCCC 1871946722 JFGYYOIZWRGLMQ-IBGZPJMESA-N 449.444 5.499 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccccc1 1872513038 HBPQVZHGCPOQHU-HSZRJFAPSA-N 428.598 5.068 30 10 IKEE COc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1OC 1872773484 OPMSLYKKZCPMQS-YLZBSDIZSA-N 446.572 6.014 30 10 IKEE COc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1 1872776902 ADPBZETWVOUHFJ-NBILRRPASA-N 446.572 6.014 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2F)C(=O)N(CCCCCCCC)C1=O 1873030902 BVGQNRRXQXYZDS-UHFFFAOYSA-N 430.608 6.216 30 10 IKEE C=CCN1C(=O)C(NCCCCCCCCCC)=C(c2cccc(Br)c2)C1=O 1873054012 ZLZPQKJEYOZOTI-UHFFFAOYSA-N 447.417 5.445 30 10 IKEE CCCCOc1ccc(/C=N/Nc2oc(-c3cccs3)nc2C(=O)OC)cc1OCC 1873463386 HMKBNNWCDWCLKN-OEAKJJBVSA-N 443.525 5.213 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(CCCC)cc2)cc2c(N3CCC(C)CC3)ncnc21 1873644598 YCCUKHYOTXGFRK-UHFFFAOYSA-N 431.584 5.449 30 10 IKEE CCSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1sccc1C 1874206398 ZIOVMEBDFGHJMJ-AWQFTUOYSA-N 427.382 5.528 30 10 IKEE CCCOc1ccc(/C=N/n2c(Cc3ccc(Br)cc3)nnc2SC)cc1 1874211780 NVELGRUAFFUOAE-HYARGMPZSA-N 445.386 5.024 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc(F)cc1 1874232037 NSAJAFAWDXDHHI-JVWAILMASA-N 430.552 5.906 30 10 IKEE CCCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1cc(Cl)ccc1O 1874284683 SQHVQRAYXKCHQT-YDZHTSKRSA-N 435.380 5.460 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3F)n2/N=C/c2ccncc2)c1 1874375849 QSLUEBCPRKVPLY-JFLMPSFJSA-N 431.540 5.194 30 10 IKEE CCc1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCc2cccc(F)c2)cc1 1874377936 WFJIKHPFQBDYSC-LQKURTRISA-N 448.542 5.884 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2ccc(O)cc2)cc1 1874387265 DGKAMOUUBIEFSA-WGOQTCKBSA-N 428.561 5.366 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)cc3)n2/N=C/c2ccc(O)cc2O)cc1 1874387484 PRIHATBXMUILAK-CVKSISIWSA-N 444.560 5.071 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1cccs1 1874393343 JSZSWXXBHUGEFK-YQCVNYCESA-N 449.561 5.574 30 10 IKEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(C)cc3)nnc2-c2ccccc2)cc1 1874426830 CQHDRHRRRNMFSG-WGOQTCKBSA-N 441.560 5.175 30 10 IKEE Cc1ccccc1CSc1nnc(CC(C)(C)C)n1/N=C/c1ccc(Cl)c(Cl)c1 1874437407 ZNSVLNKCVDBZCX-DHRITJCHSA-N 447.435 6.656 30 10 IKEE CCSc1nnc(CC(C)(C)C)n1/N=C/c1ccc(N(CC)Cc2ccccc2)cc1 1874439206 POUOMYZTQLOHKT-NLRVBDNBSA-N 435.641 5.887 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1cccc([N+](=O)[O-])c1 1874479305 UGGYJVOSRGESRE-PCLIKHOPSA-N 445.548 5.857 30 10 IKEE Cc1ccccc1CSc1nnc(C(C)(C)C)n1/N=C/c1cccc(Br)c1 1874483443 WPGAYDUTTUEQCC-YDZHTSKRSA-N 443.414 5.821 30 10 IKEE Cc1ccccc1/C=N/n1c(SCC(=O)Nc2cccc(C)c2C)nnc1C1CCC1 1874494606 AHEWFWMAQHDRDJ-AFUMVMLFSA-N 433.581 5.084 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1cccc2ccccc12 1874508795 VRXPKXAQGGYJOC-MTDXEUNCSA-N 436.584 6.712 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccccc1OC(C)C 1874510022 BYNNRGVNZLLGOV-ZVHZXABRSA-N 428.989 5.846 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCc2ccccc2F)c1 1874572552 TWLQCOFHUOXWEE-ZHACJKMWSA-N 426.871 5.971 30 10 IKEE Cc1ccc(C)c(COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1 1874579281 GKSHIQJNEGTSRM-RMKNXTFCSA-N 445.773 7.739 30 10 IKEE COC(=O)COc1c(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Br)cc1OC 1874583844 JNPNQVWAFVOZKE-MDZDMXLPSA-N 447.325 5.029 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OCc1ccccc1 1874604068 TZCSQEGERVVVLX-NTCAYCPXSA-N 428.528 6.058 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OCc2cccc(C)c2)c([N+](=O)[O-])c1 1874629692 PBCUDPJLRZTADI-CSKARUKUSA-N 431.488 6.004 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(OC)c1OCc1ccccc1F 1874635437 OYHPXVIUSINKMM-OUKQBFOZSA-N 444.546 6.963 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3sccc3C)c2)cc1OC 1874694288 VQXPJJMUAJQJMX-VMPITWQZSA-N 438.501 5.198 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)[C@@H](C)c3ccccc3)c2)cc1 1874695765 QQLXOLSTJUBDPU-TVADFSRQSA-N 442.555 6.643 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cc(OC)cc(OC)c3)c2)cc1 1874695815 UCBZNNCVNNGJLF-NTCAYCPXSA-N 444.527 6.162 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc4c(c3)OCO4)c2)cc1 1874703425 OWMPXTUSZNVDCT-WUXMJOGZSA-N 430.456 5.319 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCc3ccc(Cl)cc3)c2)c(C)c1C 1874711479 AOFQTDOQPMCWQG-NTEUORMPSA-N 448.946 6.400 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)CC(C)C)c2)cc1Cl 1874712478 XJBNYHKFSAZNLE-SOFGYWHQSA-N 432.900 5.213 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3ccccc3)c(OC)c2)cc1 1875101460 PDXLJFPFFMJZSD-GHRIWEEISA-N 444.527 5.918 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3sccc3C)c(OCC)c2)cc1 1875106188 GPVVDQCFUMUOAL-GXDHUFHOSA-N 448.584 6.913 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCC)c(Br)c2)cc1 1875106546 DODUFHZOOWVTSS-GXDHUFHOSA-N 429.354 6.393 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Br)c2)cc(OC)c1OC(=O)C1CCC1 1875114241 GAQBLYAOIMPAPU-MDZDMXLPSA-N 445.309 5.068 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)Cc1ccc(Cl)cc1 1875134436 SHUCOPBIEMQSFW-KPKJPENVSA-N 434.919 6.010 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(-c4ccccc4)cc3)cc2)c1 1875138072 NPWWAGMULIQNTG-XDHOZWIPSA-N 432.519 7.086 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2OC)cc1 1875139958 JPSDVJNTDYTZRS-UKTHLTGXSA-N 430.500 5.365 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)CCCCCC 1875142752 SCNCAOMBOSXOKU-NTCAYCPXSA-N 438.539 6.643 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)c(F)c3F)cc2)cc1 1875148291 AFRAZAAYFSGUDQ-GIDUJCDVSA-N 438.445 6.517 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1cncc(C)c1 1875149156 BHMMLQMYHWBDMT-NTUHNPAUSA-N 443.543 6.202 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Br)c1OC(=O)C1CC1 1875156926 PCSUUOQZEVMFBP-NYYWCZLTSA-N 443.337 5.793 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(C)c3C)cc2)c1 1875167426 DUKMTRSGRNESOR-XYOKQWHBSA-N 446.499 5.445 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1sccc1C 1875170293 QBHXLDAEMPUFGC-VQHVLOKHSA-N 434.557 6.414 30 10 IKEE C=CCCCC[C@@H](NC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875650173 GHKVTHVOBWOGJR-GGXMVOPNSA-N 445.603 6.212 30 10 IKEE C[C@@H]1CC=C(C(=O)[C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CC1 1875650666 JAVWCPWAKASOGQ-PBBNMVCDSA-N 442.555 6.194 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1C[C@H](CC)CCN1C(=O)OC(C)(C)C 1922118695 JXWVTXIRSQSVFI-NHTMILBNSA-N 430.633 5.553 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)C(C)(C)c1ccc(NC(=O)OC(C)(C)C)cc1 1922119357 NJRYWAQXCBOSNE-DEOSSOPVSA-N 438.612 6.062 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](CC1CCCC1)NC(=O)OC(C)(C)C 1926576274 ZZVDBZZUCNYHLX-RPWUZVMVSA-N 430.633 5.601 30 10 IKEE C=C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)(c1ccccc1)[C@H](C)C(=O)O 1927433882 GVVGJRHCGZIHGV-CLYVBNDRSA-N 427.500 5.327 30 10 IKEE CCCCCCCCC[C@@H](NCC)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1946522046 QVTYWNZEPADIDB-DNQXCXABSA-N 434.665 6.215 30 10 IKEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@@]1(C#N)CCN(Cc2ccccc2)CC12CCC2 1949313907 YNDMWAQXDADIBN-JOCHJYFZSA-N 437.506 5.124 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C1(C)C 2005327919 GMROTMNADIHLOT-MZNJEOGPSA-N 429.561 5.261 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)C1(COc2c(N)ccc(F)c2C#N)CCC1 2021622245 KPKYYHGAYYUKLX-UHFFFAOYSA-N 425.504 5.018 30 10 IKEE CCC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2032542001 ROIBBCRBPRQFCH-DFBJGRDBSA-N 449.636 5.876 30 10 IKEE C#CCCCCC(=O)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071343900 IBWCOKPMWCVVHC-NDEPHWFRSA-N 428.528 5.641 30 10 IKEE Cc1ccc([C@@H](n2nc(C3(C)CC3)c(C#N)c2I)C2(C)CC2)c(C)c1 2079050335 QSMBFYSXMZFRAI-GOSISDBHSA-N 445.348 5.417 30 10 IKEE Cc1ccc([C@H](C2CCC2)n2nc(C(F)F)c(C=NO)c2Br)c(F)c1F 2079956449 GBFLRXCYHXCCOM-HNNXBMFYSA-N 434.231 5.367 30 10 IKEE CCc1nn([C@H](c2c(C)cc(C)cc2C)C2(C)CC2)c(I)c1C#N 2079977573 OFVTUEJMTMLYHJ-GOSISDBHSA-N 433.337 5.237 30 10 IKEE CC(C)Oc1ccc([C@H](C2CCC2)n2nc(C3CC3)c(C=NO)c2Br)cc1 2080126123 LOPXLEBFLQJRJG-FQEVSTJZSA-N 432.362 5.508 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1cccc(Br)c1Cl 2124445384 RICCZEDCIRGOQD-AWEZNQCLSA-N 444.757 5.018 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)cc(C)cc1Br 2173464667 XBUJXLVYTZVAMM-HKUYNNGSSA-N 441.385 5.244 30 10 IKEE CC(C)N(C[C@H]1CCCCN1C(=O)OC(C)(C)C)c1ccc(C#N)cc1Br 2174809893 FWJOZUVAKHUJIB-QGZVFWFLSA-N 436.394 5.325 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(C#N)cc2Br)cc1F 2181136914 YCUFQIOQYXZABS-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2cc(Br)cc(F)c2C#N)[C@@H]1C(C)(C)C 2192474666 LKAHJULGMYNNJZ-NVXWUHKLSA-N 440.357 5.296 30 10 IKEE CC1(C)OB(c2ccc(CN(CCC(F)(F)F)Cc3ccccc3)s2)OC1(C)C 2211072631 OMGHAMJVFQKTRS-UHFFFAOYSA-N 425.325 5.002 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@H]1CC2(CCCC2)CCN1C(=O)OC(C)(C)C 2221311922 PIKKRLCZRJWDRA-RPWUZVMVSA-N 442.644 5.697 30 10 IKEE CCCCCCC[C@@](C)(CO)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2227096257 QMOFABGKBKJZCV-NRFANRHFSA-N 428.411 6.302 30 10 IKEE C=CCC1([C@H](NCC)c2ccc(Br)cc2Cl)CN(C(=O)OC(C)(C)C)C1 2230370333 DLAAKARUVSHTDG-QGZVFWFLSA-N 443.813 5.566 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCC)c2ccc(Br)cc2Cl)C1 2230384765 SHIGDSVZXJAEMN-KRWDZBQOSA-N 443.813 5.614 30 10 IKEE CN[C@H](C#Cc1ccc(Br)cc1)c1ccc(N(C)C(=O)OC(C)(C)C)cc1 2296296796 RQNYCFZDHAJAIB-HXUWFJFHSA-N 429.358 5.133 30 10 IKEE COc1ccccc1C=CC=C1Oc2cc(OCc3ccc(F)cc3Cl)ccc2C1=O 2296867944 ILKXCWVEDGJAFZ-UHFFFAOYSA-N 436.866 6.239 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2)OC(=CC2=Cc4ccccc4O[C@H]2C)C3=O)cc1 2296868472 JFDAJWXBYOTKBR-INIZCTEOSA-N 440.451 5.238 30 10 IKEE O=C1C(=Cc2ccc(Cl)c(Cl)c2)Oc2cc(OS(=O)(=O)c3ccccc3)ccc21 2296871308 MCIVAUJGXHIQNR-UHFFFAOYSA-N 447.295 5.377 30 10 IKEE COc1ccc(N=C2NC(=O)C(=Cc3ccc(-c4ccccc4C(F)(F)F)o3)S2)cc1 2313670697 PYRRBIIEKFJCLG-UHFFFAOYSA-N 444.434 5.866 30 10 IKEE N#Cc1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccccc2Cl)cc1 2318571568 NNLCXCMZSCOXNX-UHFFFAOYSA-N 443.963 5.568 30 10 IKEE C=Cc1ccc(COc2cc(C)c3c(c2)OC(=Cc2cn(CC)c4ccccc24)C3=O)cc1 2321869601 SCJPAZBXVLBPTA-UHFFFAOYSA-N 435.523 6.808 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3c(ccc4c3CN(CCc3ccccc3)CO4)C2=O)cc1 2321936841 NVMCCASPVCJUND-UHFFFAOYSA-N 439.555 5.995 30 10 IKEE CC(C)(C)n1ncc(NN=Cc2ccc(OCc3cccc(Cl)c3)cc2)c(Cl)c1=O 2322601312 BZDYINHMENELNQ-UHFFFAOYSA-N 445.350 5.330 30 10 IKEE Cc1c(OC(=O)c2ccccc2Cl)ccc2c1OC(=Cc1ccc(C(C)C)cc1)C2=O 2322725030 QZYAKUUTZABUBC-UHFFFAOYSA-N 432.903 6.607 30 10 IKEE Cc1ccc(COc2ccc(Br)cc2C=CC(=O)c2c(C)cc(C)cc2C)cc1 2322948494 MNGFSEHGOGUSBV-UHFFFAOYSA-N 449.388 7.158 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2OC)cc1OCC(=O)Nc1ccccc1F 2323176488 DEWGWICXHUVWAB-UHFFFAOYSA-N 449.478 5.065 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc1OCc1ccccc1 2323231761 LEFWUUTXIXPLRC-UHFFFAOYSA-N 430.544 6.611 30 10 IKEE COc1cc(C=NNc2nc(C)c(C)c(O)n2)ccc1OCc1c(Cl)cccc1Cl 2323232702 ZFOPDIOVANORSE-UHFFFAOYSA-N 447.322 5.139 30 10 IKEE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2F)C3=O)cc1 2323631090 PHTCENICRSMHQD-UHFFFAOYSA-N 432.447 5.696 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)C=Cc4ccccc4)cc(C)c3C2=O)c(OC)c1 2323744996 VXDKHYXXQGPRMP-UHFFFAOYSA-N 442.467 5.247 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(OC)ccc2OC)ccc1OCCc1ccccc1 2324025546 ODCIRAQBTBWQHO-UHFFFAOYSA-N 432.516 5.620 30 10 IKEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2Cl)o1 2324158629 IQLSINUAEBGLMJ-UHFFFAOYSA-N 438.907 6.318 30 10 IKEE Cc1cc(C)c(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2)C3=O)c(C)c1 2324331852 PJDZGMWNYCKMRJ-HXUWFJFHSA-N 441.527 5.942 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OCCCOc3ccc(Cl)cc3)ccc2C1=O 2324548088 GWAZFIZICMRJDP-UHFFFAOYSA-N 426.921 6.174 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1Cl 2324610168 ZDHCWYDUPVMVCA-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE CCCC[C@H](Oc1cc(C)c2c(c1)OC(=Cc1cccc(Br)c1)C2=O)C(=O)O 2324781230 VTINBAXECVZEIN-KRWDZBQOSA-N 445.309 5.396 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccccc2F)cc1 2325477210 IJAZSCKRNHSAIO-UHFFFAOYSA-N 447.495 5.091 30 10 IKEE Oc1ccccc1C=Nn1c(Cc2ccccc2)nnc1SCc1ccc(Cl)cc1 2325493033 CAYJYXBSILZNLB-UHFFFAOYSA-N 434.952 5.402 30 10 IKEE COc1cccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2sccc2C)C3=O)c1 2325578350 APFZHYACEFNPGZ-UHFFFAOYSA-N 435.501 5.007 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1OC(=O)C1CCCC1 2325669087 XNUYRXKVANNULQ-UHFFFAOYSA-N 426.512 6.354 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc4c(c3)OCO4)c2)cc1 2325704896 SOVHRCZTJITGDY-UHFFFAOYSA-N 430.456 5.102 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccc(CC)cc3)ccc2C1=O 2325722295 XHYMTPNUIVLCFR-UHFFFAOYSA-N 443.499 5.281 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1OC(=O)c1ccccc1Cl 2325745881 YEVSMYNGUYFKKQ-UHFFFAOYSA-N 448.946 6.761 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)C(C)C)c2)cc1 2325751611 KYUQJIUZLKIYOA-UHFFFAOYSA-N 438.564 6.502 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2cccc(OC(=O)Cc3ccccc3)c2)c1 2325758204 QSCVYJMQXMZCAN-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1N=Cc1cc(Cl)c(O)c(Cl)c1 2326224838 IUTMMSKLMOUSJH-UHFFFAOYSA-N 435.380 5.808 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(OC)cc2)n1N=Cc1ccc(C)cc1 2326252383 BIOBLQPWMRWBSK-UHFFFAOYSA-N 436.581 5.157 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1cccc(Cl)c1 2326541010 UPRRWBJEAHARSW-UHFFFAOYSA-N 433.364 5.633 30 10 IKEE CCCCCCCOc1ccccc1C=Nn1cnnc1SCc1ccc(C#N)cc1 2326673281 VHZQNKDWXOWLRT-UHFFFAOYSA-N 433.581 5.673 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccc(Cl)cc3)n2N=Cc2ccc[nH]2)cc1 2327506937 XWTKHCVNVVTLLT-UHFFFAOYSA-N 437.956 5.322 30 10 IKEE CCCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(C(=O)OC)cc1 2327771905 SZHITMSJIBAMKV-UHFFFAOYSA-N 444.560 5.193 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2OC)n1N=Cc1c(F)cccc1Cl 2328264176 SEUBFVJPVWUFGA-UHFFFAOYSA-N 446.935 5.209 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2cc(C)ccc2O)cc1 2329277896 QQTKMEAVPXZRLZ-UHFFFAOYSA-N 444.560 5.066 30 10 IKEE Cc1ccccc1CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1ccccc1Cl 2330057869 YNBHCDMZHVSOBU-IBGZPJMESA-N 447.007 6.566 30 10 IKEE Cc1ccccc1C=Nn1c(CCc2ccccc2)nnc1SCCc1ccccc1 2330197088 IPPIBFORHROAHP-UHFFFAOYSA-N 426.589 5.589 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1OCC 2330821131 QAZWYDMLYRETHJ-UHFFFAOYSA-N 449.374 7.164 30 10 IKEE COc1ccc(OC)c(C=Nn2c(CC(C)(C)C)nnc2SCc2ccccc2F)c1 2330844952 ALDBCBRDHUGKOT-UHFFFAOYSA-N 442.560 5.198 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3cccc(C)c3)nnc2[C@@H]2CCCO2)c1 2330929509 ZWRCIRNWANBGJC-QFIPXVFZSA-N 436.581 5.401 30 10 IKEE O=C(Cc1ccccc1F)Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1[N+](=O)[O-] 2330929654 YJURVCIAXKKAPM-UHFFFAOYSA-N 439.826 5.432 30 10 IKEE COc1ccc(OC)c(C=Nn2c(SCCc3ccccc3)nnc2C2CCCC2)c1 2331077900 MOVGJRJMOARPEX-UHFFFAOYSA-N 436.581 5.170 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCCc2ccccc2)nnc1-c1ccco1 2331211346 OGHDAVPEUXRQND-UHFFFAOYSA-N 430.533 5.320 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)c1cccc(F)c1 2331279370 OVYBZIQMQOYNKY-UHFFFAOYSA-N 438.882 6.302 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)CCc1ccc(CC)cc1 2331282231 SUKSPMKWUBQABI-UHFFFAOYSA-N 442.555 6.390 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)COc1cccc(OC)c1 2331282247 VLQKLIXWTAPDRP-UHFFFAOYSA-N 446.499 5.283 30 10 IKEE COCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1cccs1 2331307108 GUFCAXLVJAJXSF-UHFFFAOYSA-N 427.382 5.010 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccc(C)cc1 2331421768 PQLGHEPUADINDL-UHFFFAOYSA-N 442.555 6.807 30 10 IKEE COc1ccc(C=Nn2c(CC(C)C)nnc2SCc2ccccc2Cl)cc1OC 2331455847 SLWSARLEQVMIDP-UHFFFAOYSA-N 444.988 5.322 30 10 IKEE CC(C)Cc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(N(C)C)cc1 2331471169 SOCUVLQJHVEENG-UHFFFAOYSA-N 428.005 5.371 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)[C@H](C)c1ccccc1 2331509792 DYLYEXRDULXTGU-HXUWFJFHSA-N 428.528 6.424 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCC3)n2N=Cc2ccc(C(C)(C)C)cc2)c1 2331523541 FUXLTTTWQFAQBG-UHFFFAOYSA-N 432.637 6.634 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OC(=O)[C@H]2CCCO2)c(Cl)c1 2331743234 KXJBPLRDCFSEAE-HXUWFJFHSA-N 435.303 5.291 30 10 IKEE CCCCC(=O)Oc1c(OCC)cc(C=CC(=O)c2c(C)cc(C)cc2C)cc1[N+](=O)[O-] 2331774146 RGPHNSHLDKVFDS-UHFFFAOYSA-N 439.508 5.910 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)c(OC)cc2C)cc(OC)c1OC(=O)c1ccco1 2331854119 MUPBGOGGTLHDAC-UHFFFAOYSA-N 446.499 5.757 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)c(OC)cc2C)cc(OC)c1OC(=O)CC(C)C 2331854142 UCUDWEVLOLMMQR-UHFFFAOYSA-N 436.548 5.897 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccn3)c(Cl)c2)c2ccccc12 2331866747 IQXRCWMGNAYCBT-UHFFFAOYSA-N 443.886 6.012 30 10 IKEE C=CC[C@H](Oc1nc2ccc(Br)cc2s1)[C@@H]1CCN1C(=O)OC(C)(C)C 2335884144 PEJLAKCOIFHJFL-GJZGRUSLSA-N 439.375 5.392 30 10 IKEE CO[C@@H](C#C[C@H](N)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1)C1CCCC1 2369630273 AWIXOXQBGIRTOS-OALUTQOASA-N 437.378 5.005 30 10 IKEE COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc([N+](=O)[O-])cc2)c1 21221387 MLAILDOJURAKKT-QYBDOPJKSA-N 441.487 5.583 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1 34954824 LVSFZUUYLWFHKM-NTUHNPAUSA-N 437.289 5.573 30 10 IKEE C=CCc1ccccc1OCCCn1c(COc2ccc(OC)cc2)nc2ccccc21 40235424 ZBAAAMFJCGLBKB-UHFFFAOYSA-N 428.532 5.822 30 10 IKEE COc1ccc2c(c1)c(/C=C1\Oc3cc(OC(=O)c4ccc(F)cc4)ccc3C1=O)cn2C 102736049 CDPUQQUCSWXIIK-MYKKPKGFSA-N 443.430 5.161 30 10 IKEE COc1ccc(OC)c(/C=C2/Oc3cc(OC(=O)c4ccccc4Cl)ccc3C2=O)c1 103017003 KNBMYWVAPSSGIJ-WSDLNYQXSA-N 436.847 5.193 30 10 IKEE CCCN1C(=S)N[C@H](c2ccc(Oc3ccc(C(C)(C)C)cc3)cc2)C(C(C)=O)=C1C 169930254 KOTRHJOBOJNENW-XMMPIXPASA-N 436.621 6.281 30 10 IKEE CCCOc1c(Cl)cc([C@@H]2NC(=S)NC(C)=C2C(=O)c2ccccc2)cc1Cl 169938051 UNTXNQGJGXMXMK-SFHVURJKSA-N 435.376 5.458 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccc(O)cc2)cc1 169963025 LZSUYLXPQFZNJX-XMMPIXPASA-N 443.499 5.191 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2ccco2)c1 170038799 UEPIXQIHFKDOAM-QHCPKHFHSA-N 443.455 5.203 30 10 IKEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1cccc2ccccc12)c1ccc(Cl)cc1 170044790 LFTURLDNIOONNH-XXBNENTESA-N 447.918 5.251 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1ccc(F)c(F)c1 170105484 ALDSLEPXSSOORF-SFHVURJKSA-N 445.874 5.771 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@@H]1c1cccc(C)c1 170146637 AHOCXNYFJLJARY-QHCPKHFHSA-N 435.564 5.680 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2cccnc2)ccc1Cl 170186916 PSKNWZDICCSCAX-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@H]1c1ccc(O)c(Cl)c1 170220000 VNICBHIGAVOHAX-OAQYLSRUSA-N 443.927 5.069 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@@H]1c1cccc2ccccc12 170221150 KDCZVFXSVABYKD-QFIPXVFZSA-N 435.907 5.490 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccccc2)cc1 170223123 HVFVGKYCZJXFMB-HSZRJFAPSA-N 449.453 5.537 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 170226566 OFJIBOLANJEGIA-QHCPKHFHSA-N 447.918 5.912 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@H]1c1ccccc1F 170253140 BWPHSOFTTXRSTA-OAQYLSRUSA-N 445.918 5.646 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccccc1C 170278284 GUIIEPMMFWEHOK-XMMPIXPASA-N 447.575 5.822 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccco2)cc1 170282366 RAGYSRIMINPIOC-HSZRJFAPSA-N 449.478 5.771 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccc(C)o2)c1 170297699 DYBDAIAQDAXYHS-XMMPIXPASA-N 443.499 5.258 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2ccc(C)o2)cc1C 170304593 LHJAIHCIDATEJQ-HSZRJFAPSA-N 447.487 5.092 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1ccc(C)o1 170310048 CWUDKPMDEOTOOP-QFIPXVFZSA-N 425.525 5.452 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1c1ccc(F)cc1 170313934 ZOWJJTFLBSRWSR-JOCHJYFZSA-N 443.499 6.132 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1sccc1C 170315435 RNTODWSCSQJYPD-OAQYLSRUSA-N 447.556 5.773 30 10 IKEE Cc1occc1C(=O)Nc1ccc(C(=O)/C=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 210043613 HKKPSXNHYKAYNL-BENRWUELSA-N 442.427 5.905 30 10 IKEE Oc1cc(N=C/C=C/c2ccc(Cl)cc2Cl)ccc1-c1nc2ccccc2s1 252633125 VZVIXTXZGMNUNK-BLHKWVJFSA-N 425.340 7.391 30 10 IKEE N#Cc1cc(Br)ccc1CNc1cc(I)ccc1Cl 311564555 SREJNPPIFRJYHQ-UHFFFAOYSA-N 447.501 5.191 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(F)c(Br)c1)NCCC 406712685 PUIBTUXTMVLHIA-OALUTQOASA-N 443.401 5.358 30 10 IKEE Cc1ccc([C@@H]2C(c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526519723 DROIWXZSNHGCDP-JOCHJYFZSA-N 435.310 6.231 30 10 IKEE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2cccc(C#N)c2)[C@@H]1c1cccs1 526523311 VLDRYRKARRQZCC-OAQYLSRUSA-N 432.501 5.084 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2ccc(F)cc2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 526606634 HTYKDYUCJZKFAL-OAQYLSRUSA-N 449.825 5.316 30 10 IKEE COc1ccc2ccccc2c1/C=N\n1c(C)nnc1SCc1cccc2ccccc12 526821544 YAYRAWZAGRKMNU-YUMHPJSZSA-N 438.556 6.076 30 10 IKEE Cc1ccc(NC(=O)c2cnn3c2N[C@H](c2ccc(F)cc2)C2=C3CC(C)(C)CC2=O)cc1 606630113 BZLCBSJSFOXPSE-HSZRJFAPSA-N 444.510 5.350 30 10 IKEE C[C@H](C[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br)c1ccccc1 698482111 LUWPHBKBHIGEOB-SJLPKXTDSA-N 429.358 6.277 30 10 IKEE C=C1CCC(C[C@H](NCC)c2cc(Br)ccc2I)CC1 724543765 HAVFPEWTEYOAJW-KRWDZBQOSA-N 448.186 5.841 30 10 IKEE Cc1ccc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2cccc(OC(F)F)c2)c1 738015335 VCJMICAUZBJVIG-UHFFFAOYSA-O 438.479 5.079 30 10 IKEE C(=NC1=N[C@@H](c2ccco2)[C@H](c2ccco2)S1)c1ccc(OCc2ccccc2)cc1 1084169839 FVGCLJVNGAORAS-ZEQRLZLVSA-N 428.513 6.456 30 10 IKEE CCOc1cc(C=NNCc2ccccc2OC)cc(Cl)c1OCc1ccc(C)cc1 1084215421 ZMTBDPVZVCWIGP-UHFFFAOYSA-N 438.955 5.758 30 10 IKEE COc1c(Br)cc(/C=C2/Sc3ccccc3C2=O)cc1Br 1084306542 DKYVSCSCABVLFP-RIYZIHGNSA-N 426.129 5.550 30 10 IKEE C=CCOC(=O)/C=C\c1ccc(OCc2ccc(F)cc2Cl)c(Br)c1 1084363913 OAFJBVATJUNPSZ-YWEYNIOJSA-N 425.681 5.563 30 10 IKEE Clc1ccc(CSc2n[nH]c(NN=Cc3c4ccccc4cc4ccccc34)n2)cc1 1084397166 IAZYAVAKRFBCOM-UHFFFAOYSA-N 443.963 6.503 30 10 IKEE COc1ccc(/C=C/C(=O)[C@@H]2CC[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]23C)cc1 1088741842 PEGAPZRVEJMUDP-JASNDLFTSA-N 434.620 6.217 30 10 IKEE COc1ccc(/C(C)=C2/SC(=Nc3ccncc3Cl)N(c3ccccc3)C2=O)cc1 1772737373 OYOIHYUKWRDZTF-DHPBROCDSA-N 435.936 5.942 30 10 IKEE Cc1ccc(C(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N(c3cccc(C)c3)C2=O)cc1 1772760019 LHSQWRCVIHKVIU-DEOSSOPVSA-N 428.557 6.021 30 10 IKEE Cc1ccccc1-c1nc2sc(C)c(-c3ccccc3)c2c(=O)n1Cc1cccc(C#N)c1 1857803361 NTOVUFPMWBZTFF-UHFFFAOYSA-N 447.563 6.329 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc3c(OC(=O)Nc4ccc(Cl)cc4)cccc23)c1 1858780334 VXEVFPUEXYEMJH-UHFFFAOYSA-N 441.874 6.228 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 1861221410 ZFCXHBPVEFWKRX-JWQCQUIFSA-N 443.676 5.050 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(Cl)ccc1Cl 1861764162 GAABHOHUUKCKTP-JOCHJYFZSA-N 449.422 5.811 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C2CCCC2)c1 1862379835 MAMKGWSWKURPEQ-HXUWFJFHSA-N 430.331 5.823 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@H]2c2ccc(OCCC)cc2)cc1 1862397113 JTRFUMKAKJMZQP-VWLOTQADSA-N 449.591 6.196 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)c1 1862431440 HMMNINZQJCPZOV-GJULWVSJSA-N 439.939 5.506 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(F)cc1F 1862432713 LGCWFCFDBXPQNS-WHIIXXIBSA-N 445.893 5.775 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862451753 MUEHKLBDSLDGFH-SFHVURJKSA-N 438.738 5.881 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccc(Cl)cc2)c1 1862490793 DOCKYVBIMYUTMZ-XMMPIXPASA-N 449.978 6.426 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCc2ccc(F)cc2)cc1 1862507012 CWFKNQWWHIRDCE-DEOSSOPVSA-N 447.481 5.403 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc(CC)cc2)cc1 1862517362 LNEVTDQQAFKCDB-DEOSSOPVSA-N 435.564 5.662 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@H]2c2ccc(F)cc2)cc1 1862529541 HNWFIPDESVWEAH-VWLOTQADSA-N 443.518 5.518 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCC(C)C)cc1 1862547212 OWIUMEWKPXUDQC-RUZDIDTESA-N 447.575 5.589 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1c(F)cccc1Cl 1862549733 VUDBWFIYFGTFOW-QFIPXVFZSA-N 441.930 5.736 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2ccc(C)cc2)cc1 1862589184 GKPOLMKEFXVEIK-AVRWGWEMSA-N 441.527 5.603 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1cccc(O)c1 1862591694 MEYSFBHOWGKRRB-HSZRJFAPSA-N 447.918 5.257 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc(Br)c1 1862656510 HSICFQINTUMSDN-FQEVSTJZSA-N 436.305 5.201 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(N(C)C)cc2)cc1 1862664710 PINFRSLFNQYBAP-RUZDIDTESA-N 446.591 5.787 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccc(Br)c1 1862670208 OGWVFXBPEFMCFT-IBGZPJMESA-N 428.326 5.171 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2C)cc1 1862674941 YANAOOZRJNPDSM-XMMPIXPASA-N 429.491 5.264 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccccc1F 1862688484 WZVMLAOIZZLPAZ-HSZRJFAPSA-N 439.527 5.773 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccccc1F 1862724257 KIIGLCXKXJKAGF-XDHUDOTRSA-N 429.491 5.870 30 10 IKEE Cc1ccc(NC2=C(c3cccc4ccccc34)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862854338 SOZDXDZBSASMGZ-UHFFFAOYSA-N 429.479 5.417 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C(C)C)c(C)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862896294 HDXUHCOLNVDTRS-UHFFFAOYSA-N 435.527 5.695 30 10 IKEE CCCCOc1ccccc1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2cccs2)C1=O 1863116676 AEHDHRAYNNOFSG-UHFFFAOYSA-N 443.528 5.195 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc3c[nH]nc3c2)=C(c2ccc(OC)cc2)C1=O 1863323709 ORIJWVOCWAEYFG-UHFFFAOYSA-N 446.551 5.124 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2Sc2ccccc2)=C(c2ccccc2OC)C1=O 1863430121 SNBLYEWRQGRWJU-UHFFFAOYSA-N 442.540 5.224 30 10 IKEE CCCCCCCCN1C(=O)C(NCCOC(C)C)=C(c2cccc3ccccc23)C1=O 1863583764 NCTTVZWMTVVTRY-UHFFFAOYSA-N 436.596 5.295 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)C[C@@H](CC)CCCC)sc2c1 1866106851 KEYKJQBCOLOGLC-KRWDZBQOSA-N 449.642 5.204 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2Cl)c(CSC(C)(C)C)cc1=O 1870252334 ODFDVVWRKZKJMI-UHFFFAOYSA-N 436.061 6.931 30 10 IKEE CCCCCCCOc1cn(CCCN(CC)CC)c(CN2C[C@H](C)C[C@@H](C)C2)cc1=O 1870411982 VBGXYKPBUSWPTQ-DNQXCXABSA-N 447.708 5.407 30 10 IKEE C=CCOc1cn(CCCCc2ccccc2)c(CNc2cccc(N(C)C)c2)cc1=O 1870809439 CHKOKMJACZPEHD-UHFFFAOYSA-N 431.580 5.114 30 10 IKEE CCCCCCCCn1cc(OCCCCC)c(=O)cc1CNc1ccc(OC)cc1 1871130326 MWKAMHRGXLRNFO-UHFFFAOYSA-N 428.617 6.399 30 10 IKEE CCCCC[C@@H](CC)N1COc2ccc3c(c2C1)O/C(=C\c1ccc(N(C)C)cc1)C3=O 1871347615 LHYIOKNJMIBHIK-WYRWUVFZSA-N 434.580 5.880 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OC(=O)CCCOc3ccccc3C)c2C)C1=O 1871371036 HQDJGUHXDLIZGD-UQQQWYQISA-N 442.511 5.993 30 10 IKEE CCCOc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871388161 XSSVRFUPCTUCOG-IWIPYMOSSA-N 428.484 5.928 30 10 IKEE COC(=O)c1cccc(COc2cc(C)c3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)c1 1871417582 KTMTUFLQZQZCMQ-QFEZKATASA-N 442.511 6.100 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C)cc4C)ccc3C2=O)cc1 1871419023 ZQBTWWOVICEEAF-QFEZKATASA-N 427.500 5.500 30 10 IKEE CC(C)=C1Oc2c(ccc(O[C@H](C)C(=O)Nc3nc(-c4ccccc4)cs3)c2C)C1=O 1871443715 DFSRGDLKLRPSNB-OAHLLOKOSA-N 434.517 5.394 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3cccc(C)c3)cc(C)c2C1=O 1871456538 JZLPYLOIAWPYRC-OYKKKHCWSA-N 443.499 5.336 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)c(Cl)c1)[C@@H](C)CC)S(=O)(=O)CCCC 1871810421 FQIOZILCEXMTSW-OXJNMPFZSA-N 429.026 5.010 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Cl)c(C)c1)C(C)C)S(=O)(=O)c1ccc(C)cc1 1872296782 VEIJUCDPNNJHEG-JOCHJYFZSA-N 449.016 5.187 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NS(=O)(=O)c1cc(C)ccc1C 1872612377 CJMLGGVVKLLYQZ-JOCHJYFZSA-N 438.678 5.397 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)[C@@H](C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1872760389 NETFNBKXPDQESK-GFCCVEGCSA-N 448.287 5.524 30 10 IKEE Cc1cc(C)c(-c2csc([C@@H](C#N)C(=O)COc3cc(C)c(Cl)c(C)c3)n2)c(C)c1 1872786494 LXCCBKKTHWHHFK-IBGZPJMESA-N 438.980 6.261 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(C)c(C)c3)n2)c2ccccc12 1872787421 JLHXBVVVMYKIFX-QFIPXVFZSA-N 426.541 6.008 30 10 IKEE COc1ccc(CC(=O)[C@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1OC 1872787824 SHAOCXQVQJLRHG-HNNXBMFYSA-N 447.343 5.553 30 10 IKEE CCCCCCCCN1C(=O)C(NC2CCCCCC2)=C(c2ccccc2OC)C1=O 1873152426 GISWJEWBNAETIT-UHFFFAOYSA-N 426.601 5.448 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(Cl)c2)=C(c2cc(F)cc(F)c2)C1=O 1873318271 NKZDTSJRCKRLNG-UHFFFAOYSA-N 446.925 6.171 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C(C)(C)C)cc2)cc2c(NCc3ccccc3)ncnc21 1873608951 RBFGJJPJGAFVGM-UHFFFAOYSA-N 439.563 5.779 30 10 IKEE CCCOc1ccc(/C=N/n2c(CCCOc3ccc(CC)cc3)nnc2SC)cc1 1874223341 GSPVXHULDCNOQV-XIEYBQDHSA-N 438.597 5.245 30 10 IKEE Cc1cccc(/C=N/n2c(CCc3ccc(Cl)cc3)nnc2SCc2ccccc2)c1 1874283078 OAOKEPUZCAWFLN-WPWMEQJKSA-N 447.007 6.200 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2/N=C/c2ccc3c(c2)OCCO3)CC1 1874287559 LKJLEZALZDLEJH-KOEQRZSOSA-N 442.629 5.898 30 10 IKEE Cc1ccc(/C=N/n2c(COCc3ccccc3)nnc2SCc2ccccc2)cc1 1874355180 DYEIHZKOCWARHR-WGOQTCKBSA-N 428.561 5.478 30 10 IKEE CCOc1ccc(/C=N/n2c(CCc3ccccc3C)nnc2SCC)cc1OCC 1874362925 DWFRGYRDNDEJOW-KOEQRZSOSA-N 438.597 5.163 30 10 IKEE CCOc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2cccc(C)c2)cc1 1874406771 SXVSTDWFPLTPPO-OVVQPSECSA-N 448.636 6.283 30 10 IKEE Clc1cccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2-c2ccccc2)c1 1874430825 ZHLRIIJAOUBRFG-AFUMVMLFSA-N 439.371 6.426 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3cccc(F)c3)nnc2C2CCCC2)c1 1874454849 XYELGIOGLRADLT-WGOQTCKBSA-N 438.572 6.038 30 10 IKEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3c(C)cccc3C)nnc2-c2ccco2)cc1 1874466635 SPZLRSDUPRGXCK-AFUMVMLFSA-N 445.548 5.076 30 10 IKEE COc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2ccc(Cl)cc2)c(OC)c1 1874490718 HAWPAIJLOQAGFR-ZMOGYAJESA-N 444.988 5.322 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C2CC2)cc1 1874523461 QXYGSEJYMUUXBU-BRJLIKDPSA-N 445.419 6.760 30 10 IKEE Cc1ccccc1NC(=O)COc1ccccc1/C=C/C(=O)c1ccc2c(c1)CCCC2 1874571751 DYXYQVXYCLQYIZ-WUKNDPDISA-N 425.528 5.787 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2c(OCC(=O)OCCC)ccc3ccccc23)cc1 1874573337 IKSAKKVTALZCNF-WUKNDPDISA-N 430.544 6.411 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccccc1OCC(=O)N[C@@H](C)c1ccccc1 1874585968 OTTPYUMPNRUZAE-JLVIMGNISA-N 443.543 5.464 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1OC 1874593898 HEFKONJJZBBMAR-UXBLZVDNSA-N 443.326 6.486 30 10 IKEE CCOC(=O)c1ccc(COc2cccc(/C=C/C(=O)c3cccc4ccccc34)c2)o1 1874597572 UUWDUIOPMPFSDN-FYWRMAATSA-N 426.468 6.085 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3ccccc3)c(OC)c2)cc1 1874606431 NAXXLDKKHYIJOI-SAPNQHFASA-N 430.544 6.522 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OCC(=O)Nc1ccc(C)cc1C 1874617679 OLLMCYJCOQHXEE-XYOKQWHBSA-N 443.543 5.842 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)ccc1OCc1cccc(F)c1 1874622171 PDMMVBXKLVOPMU-RMKNXTFCSA-N 434.463 5.471 30 10 IKEE CCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(F)c1 1874681706 FMWBCHPYJAIZJF-DEOSSOPVSA-N 437.559 5.724 30 10 IKEE COc1cc(C(=O)/C=C/c2cccc(OC(=O)c3ccccc3C)c2)c(OC)cc1Cl 1874711968 OIIFRPMVGAXNOF-VAWYXSNFSA-N 436.891 5.781 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc1OC(=O)c1ccccc1 1874714964 WMOJCWSTUCKAAY-PKNBQFBNSA-N 436.891 5.781 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OC(=O)COCc1ccccc1 1874716317 MUIPPQQNXCPMCA-ZRDIBKRKSA-N 444.527 5.639 30 10 IKEE CC(C)C(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1Br 1875097290 DJZHQUNYZPQSMB-YRNVUSSQSA-N 427.338 5.785 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(Cl)c1OC(=O)c1ccccc1 1875101542 UIYOPHVEDKWAAW-NTCAYCPXSA-N 434.919 6.416 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-])c1ccncc1 1875105520 YVIGFINYSWUJEA-ORCRQEGFSA-N 443.242 5.412 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccncc3)c(OCC)c2)cc1 1875139180 VSVCPTFFFLXKQG-VZUCSPMQSA-N 431.488 5.384 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(-n4cccc4)cc3)cc2)cc1F 1875152741 QPCDDOVZNHJIDK-MKMNVTDBSA-N 441.458 5.740 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(F)c3)cc2Cl)cc1 1875162316 HOCQIWDJGCFCNY-VZUCSPMQSA-N 426.846 6.296 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OC(=O)CC3CCCCC3)c([N+](=O)[O-])c2)c1C 1875169650 WDKGGDJUKNGRGH-ZRDIBKRKSA-N 449.547 6.600 30 10 IKEE CC1(C)CN(C(=O)OC(C)(C)C)C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 1922773062 WSIUIKZQRHEFDF-VWLOTQADSA-N 449.636 5.876 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@](C)(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)cc1 1940973323 KEXTZCQVOLBXTM-FQEVSTJZSA-N 443.466 5.572 30 10 IKEE C=C(Cl)C[C@H](NC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2016751867 JNSWRXHMWBNVBN-JYFHCDHNSA-N 437.967 5.609 30 10 IKEE CC#CCCCC[C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2019511672 XTOKIHYTKZIZNR-YFNKSVMNSA-N 430.633 5.437 30 10 IKEE CC1(C)C[C@@H]([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)N(C(=O)OC(C)(C)C)C1 2033723843 RLCMWLDZHHIBPQ-OALUTQOASA-N 447.551 5.495 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CC(C)(C)[C@@H]1OCc1ccccc1 2038724285 ITHVKMFFIVIHCS-NVQXNPDNSA-N 436.552 5.714 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Br)c1Cl)NCC 2047977100 SJUWIALJOUSSKT-CVEARBPZSA-N 431.802 5.093 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@]1(C#N)C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21 2070327479 LIQWKUZBJXOPJM-AHMOOEFLSA-N 436.527 5.845 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@]1(C#N)C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21 2070328609 ROFOKUDQVUWSJT-AHMOOEFLSA-N 436.527 5.845 30 10 IKEE C=C1CCC(CNCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CC1 2071263361 UQDTXSSCJBBRLM-UHFFFAOYSA-N 427.588 6.681 30 10 IKEE CCCc1ccc([C@@H](n2nc(C)c(C=NO)c2I)C(C)(C)C)cc1 2080006390 QHACAJBPWNGCSX-QGZVFWFLSA-N 439.341 5.192 30 10 IKEE COc1c2c(nc3c(-c4cc(C(F)(F)F)ccc4F)c(C(F)(F)F)nn13)CSC2 2081325140 KAKHXMOYHPLVDR-UHFFFAOYSA-N 437.340 5.328 30 10 IKEE O[C@H](CC#CC1CCCCC1)c1ccc(Br)cc1I 2142276530 DWZMNQAEHZLUIV-MRXNPFEDSA-N 433.127 5.061 30 10 IKEE CCC[C@@]1(CNc2ncc(Br)cc2C#N)CCCCN1C(=O)OC(C)(C)C 2162409062 CYIVRACUDFMPRH-FQEVSTJZSA-N 437.382 5.088 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCc2ccc(F)cc21 2163700317 WLKKKGUGWSGOCI-OAQYLSRUSA-N 431.305 5.695 30 10 IKEE Cc1sc([C@H](C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)c(Br)c1C 2221779643 ISXCAIOIOHGTMN-LBPRGKRZSA-N 428.356 5.630 30 10 IKEE CC(C)(C)CN(CCC#N)C(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 2243910243 FZWBVVLGCVETBO-UHFFFAOYSA-N 447.579 5.092 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)C1(C#N)[C@H]2CCC[C@H]1CC(NC(=O)OC(C)(C)C)C2 2249362933 KCCUHTWIPSQAKX-BBFQFKIHSA-N 435.609 5.245 30 10 IKEE C=CCN(CC(=O)Nc1cc(Cl)c(Br)cc1Cl)C(=O)OC(C)(C)C 2252871459 UOLFXPKHXUOOFF-UHFFFAOYSA-N 438.149 5.118 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2257337333 FDVJHXYMFULBNR-KHVVASAOSA-N 441.572 5.404 30 10 IKEE C=CC[C@@]1(COc2ccc(N)c(Br)c2)CCCCN1C(=O)OC(C)(C)C 2272095034 ACYRNZPRONVELT-FQEVSTJZSA-N 425.367 5.146 30 10 IKEE O[C@H](C#Cc1ccc(Br)cc1)c1cc(Br)ccc1Br 2278813053 CELVBNALMIKKBB-OAHLLOKOSA-N 444.948 5.059 30 10 IKEE C=C([C@@H](OCCC(=O)O)c1scc(Br)c1Br)[Si](C)(C)C 2290955551 OQJBQADKNLCJNO-GFCCVEGCSA-N 442.245 5.239 30 10 IKEE O=C1NC(=Nc2ccccc2Cl)SC1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 2297500705 XBAIZKHLPRQVJL-UHFFFAOYSA-N 425.853 5.400 30 10 IKEE O=C(C=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Br)cc1 2297533581 SAPBNQKUSMETLU-UHFFFAOYSA-N 438.165 6.295 30 10 IKEE Cc1c(Br)c(C=NC2CCCCC2)c(C)n1-c1ccc(Br)cc1 2313556276 UHMQYKZNEZLPSL-UHFFFAOYSA-N 438.207 6.371 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(Br)cc3)c2)cc1 2314429966 SMNRGEFXSFPWPX-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2Cc2cccnc2)cc1 2314524292 LFFWRHKFRKWLKI-AREMUKBSSA-N 438.527 5.383 30 10 IKEE CC(C)c1ccc(C=C2SC(=Nc3cccc(C(=O)O)c3)N(c3ccccc3)C2=O)cc1 2314547442 IGMPMGLOQJJAEB-UHFFFAOYSA-N 442.540 6.317 30 10 IKEE CCCCCCCOc1ccccc1C=NNc1cnn(-c2ccccc2)c(=O)c1Cl 2318415962 YUUYKGYVAAAGBR-UHFFFAOYSA-N 438.959 5.681 30 10 IKEE CCCCOc1c(OC)cc(C=NNc2nc(-c3ccc(C)cc3)cs2)cc1[N+](=O)[O-] 2318417697 CMBDFCITKPYVGO-UHFFFAOYSA-N 440.525 5.660 30 10 IKEE CCOc1cc(C=Nn2c(C)nnc2SCc2cccc(Cl)c2)ccc1OC(C)C 2318574107 FDNOZMMRYZWKGO-UHFFFAOYSA-N 444.988 5.600 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc4c3CN(CCc3cn(C)c5ccccc35)CO4)C2=O)o1 2321911873 MQAKLYGGRLRKIT-UHFFFAOYSA-N 440.499 5.091 30 10 IKEE CCCCC[C@H](CC)N1COc2ccc3c(c2C1)OC(=Cc1cccc(Cl)c1)C3=O 2322072896 URKXBDVLGHMJEQ-IBGZPJMESA-N 425.956 6.467 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2c(C)cccc2C)c1 2322374038 SCLYKQQPVSDXIT-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE Cc1cc(OC(=O)c2ccc(C(C)(C)C)cc2)cc2c1C(=O)C(=Cc1ccc(Cl)cc1)O2 2322736685 DGZHZCZRDLVRHQ-UHFFFAOYSA-N 446.930 6.781 30 10 IKEE Cc1cc(OC(=O)c2ccc3c(c2)OCO3)cc2c1C(=O)C(=Cc1cccc(Cl)c1)O2 2322775412 SXTGVGHKVMTLAH-UHFFFAOYSA-N 434.831 5.213 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccccc2C=CC(=O)c2c(C)c(C)cc(C)c2C)c1 2322836686 QTXQWIMQZMREJE-UHFFFAOYSA-N 441.571 6.451 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccccc1OCc1ccccc1Cl 2322926791 IAWBHBWGWSACOV-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE Cc1cc(OC(=O)c2c(F)cccc2Cl)cc2c1C(=O)C(=Cc1ccc(Cl)cc1)O2 2323353571 PZSMTYKIMQIISK-UHFFFAOYSA-N 443.257 6.276 30 10 IKEE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1 2323629913 VNOJDIUFBNEVOQ-UHFFFAOYSA-N 440.495 6.113 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1 2323791899 ZTZKCGXDBCSHEU-UHFFFAOYSA-N 426.468 5.785 30 10 IKEE COc1ccc(-c2csc(NN=Cc3ccc(OC)c(OC)c3Br)n2)cc1 2323840276 HVEFCYFMNHOIIA-UHFFFAOYSA-N 448.342 5.044 30 10 IKEE C=CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2sccc2C)C3=O)cc1 2323865947 XDCGWYPBOGYVOT-UHFFFAOYSA-N 432.497 5.765 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OCc1ccccc1Cl 2324175895 NNFBNWFFZSBXNC-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OCC 2324455410 KVABKKLRKUEOFY-UHFFFAOYSA-N 437.580 5.626 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2cccs2)C3=O)cc1 2324478391 OANUDWBOKWKDDV-MRXNPFEDSA-N 433.529 5.641 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccc(F)cc2)C3=O)c(C)c1 2324890788 IPJJIDSZGWRXSB-UHFFFAOYSA-N 431.463 5.385 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OCC(=O)N[C@@H](C)c3ccccc3)cc(C)c2C1=O 2325020250 PEFRXHVDAAFUSR-KRWDZBQOSA-N 433.529 5.237 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCc4ccc(C(=O)OC(C)C)o4)cc(C)c3C2=O)c1 2325387909 VGFUKMBFBUHABQ-UHFFFAOYSA-N 432.472 5.657 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccccc1Cl 2325532306 KPFQUKDBNKXTNM-UHFFFAOYSA-N 434.996 6.602 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(C(C)C)cc1 2325532328 QAAIBEICZKKMAK-UHFFFAOYSA-N 442.632 7.072 30 10 IKEE COc1ccc(CCOc2ccc3c(c2C)OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)cc1 2325631705 LJILFUHYFUHDSB-UHFFFAOYSA-N 442.555 6.539 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC(=O)[C@H]3C[C@H]3c3ccccc3Cl)c2)cc1 2325706241 ZMDKMZQKGLBRRK-ZEQRLZLVSA-N 430.931 6.508 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1cccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)c1 2325722382 FYPQQCPUAYQMOP-UHFFFAOYSA-N 435.863 5.683 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(C)c(C)c3)c2)c(OC)c1 2325760919 YOHFKIDGSXRENF-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)c3ccccc3[N+](=O)[O-])c2)cc1C 2325771610 URZWQKKWXABIFR-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1cccs1 2325910120 CQVAHFKYGKDVJN-UHFFFAOYSA-N 427.382 5.610 30 10 IKEE CCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccccc1OC(C)C 2328051472 UBQYRVZTHBHHKK-UHFFFAOYSA-N 428.989 5.498 30 10 IKEE CCCOc1ccc(C=Nn2c(COc3cccc(C)c3C)nnc2SCCC)cc1 2328858392 SVDLCCBGNSNELU-UHFFFAOYSA-N 438.597 5.647 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(Cl)cc3)n2N=Cc2cccn2C)c1 2329082248 GGMKYKXXOLNZNF-UHFFFAOYSA-N 435.984 5.344 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(OCCCC)cc1 2329577074 XSZZIMIZAJJQRM-UHFFFAOYSA-N 441.000 6.328 30 10 IKEE Cc1ccccc1C=Nn1c(Cc2ccccc2F)nnc1SCc1ccccc1F 2329741114 FPWKOQIUEHZORE-UHFFFAOYSA-N 434.515 5.630 30 10 IKEE C=CCSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1ccc(OC(C)C)c(OC)c1 2330117961 JIAVMYOGVSXXSK-SFHVURJKSA-N 436.581 5.386 30 10 IKEE CSc1nnc(Cc2ccccc2)n1N=Cc1ccc(OCc2ccccc2C)cc1 2330450767 YNYHTXVBXOKBGJ-UHFFFAOYSA-N 428.561 5.360 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1ccc(F)cc1 2330694308 QBXKFAMTBRMUJL-UHFFFAOYSA-N 444.502 6.219 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc4ccccc34)c(Cl)c2)cc1 2330743942 YPLZNORUXWJBKH-UHFFFAOYSA-N 440.926 7.171 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3OC)c(Cl)c2)c1 2330778243 ISEVXVFZBIZGGH-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(C)c3)cc2)cc1 2330854859 NBMISWSEVOZFQA-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE CCCCCCOc1ccc(C=Nn2c(SCCC)nnc2[C@@H]2CCCO2)cc1OC 2330977161 XHABOGMSXWNUCB-FQEVSTJZSA-N 446.617 5.482 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2)c(Cl)c1)c1cccc(Br)c1 2331002076 CCWKYAPKKOLMDA-UHFFFAOYSA-N 441.708 6.218 30 10 IKEE Fc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2[C@@H]2CCCO2)cc1 2331008951 FQYBLWPTGGKDQF-SFHVURJKSA-N 434.899 5.236 30 10 IKEE C[C@@H](C(=O)Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1Cl)c1ccccc1 2331092570 VMMCEFROVVGVJO-OAHLLOKOSA-N 426.846 6.223 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)c1ccc2nc(C)c(C)nc2c1 2331184602 LKFVRQMLXFIJEG-UHFFFAOYSA-N 438.483 5.371 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1 2331188563 YEEVZFUVTLMTHG-UHFFFAOYSA-N 441.310 6.507 30 10 IKEE CC(C)(C)c1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc([N+](=O)[O-])cc1 2331416909 TVKYQVBZCFZKKA-UHFFFAOYSA-N 447.923 5.451 30 10 IKEE CC(C)Cc1nnc(SCc2ccccc2F)n1N=Cc1cccc(Br)c1 2331453959 FSCFMQBIYNDDCU-UHFFFAOYSA-N 447.377 5.553 30 10 IKEE Cc1ccsc1C=Nn1c(SCC(=O)Nc2c(C)cccc2C)nnc1C(C)C 2331695287 JYZPOMFNSCNFOR-UHFFFAOYSA-N 427.599 5.001 30 10 IKEE C[C@H](Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)c1nscc1Br 2365052121 JWLPYGBAKAKKBO-LBPRGKRZSA-N 436.184 5.118 30 10 IKEE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@@H]1Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2365069308 ZAUWBPKPAFLOIY-KPKRAKRKSA-N 447.432 5.295 30 10 IKEE CC[C@@H](C)c1ccc(O)c(/N=C/c2cc(Cc3ccccc3Cl)cc([N+](=O)[O-])c2O)c1 1948853 QSXNZZVTGFETRU-NXYZXBHKSA-N 438.911 6.514 30 10 IKEE CCc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(SC)cc2)cc1 21240558 VFXBPEZKXGLCBT-RBTNQOKQSA-N 440.612 6.950 30 10 IKEE COc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(Cl)c(Cl)c2)C3)cc1OC 21256101 PSBOCZWFAJWDQU-LSDHHAIUSA-N 446.330 5.015 30 10 IKEE C=CCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2[C@@H]1c1ccc(OCCC)c(OCC)c1 39910821 BEBHRNLKVXOPEC-QHCPKHFHSA-N 447.531 5.329 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@H]1c1ccc(OCC)cc1 40078214 MISOHBNZWJDAEQ-HSZRJFAPSA-N 437.536 5.253 30 10 IKEE C=CCNC(=O)c1cc(-c2csc(-c3ccnc(CC)c3)n2)n(CC2CCCCC2)c1C 43251568 GCBAUAFBDHMWFU-UHFFFAOYSA-N 448.636 6.041 30 10 IKEE O=[N+]([O-])c1ccc(N/N=C\c2ccc(Sc3cccc4cccnc34)c([N+](=O)[O-])c2)cc1 59392006 XXLWVDGTMPHZTG-OYKKKHCWSA-N 445.460 5.648 30 10 IKEE O=C(CSc1nc2ccc(/N=C/c3ccc(F)cc3)cc2s1)NCc1ccccc1 59502729 IEAVQNKLJWNJJW-DHRITJCHSA-N 435.549 5.595 30 10 IKEE CC[C@H](C)c1ccccc1Nc1nc(SC)nc(-c2ccc(OC)c(OC)c2)c1C#N 62041319 DUCFKJPJWXAPNG-HNNXBMFYSA-N 434.565 6.011 30 10 IKEE CCc1cccc(N/C(=N\C(=O)c2cccc(OC)c2)NCCc2c[nH]c3ccccc23)c1 66437596 DUAFRXSRZRKPAX-UHFFFAOYSA-N 440.547 5.180 30 10 IKEE biogenic O=C(/C=C\c1ccc(-c2ccc(Br)cc2)o1)c1ccc(N2CCOCC2)cc1 96767060 IESRTXRJDRIXBD-LUAWRHEFSA-N 438.321 5.442 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2ccc(OCCOc3ccccc3)cc2)cc1 100167534 UEAQOKOURRKBCM-UHFFFAOYSA-N 447.575 6.746 30 10 IKEE CCCCCCCCCn1c([C@H](Sc2ccccc2)c2ccccc2)nc2ccccc21 101262299 BBCGYTCCEOZQSS-MUUNZHRXSA-N 442.672 8.669 30 10 IKEE CCOC(=O)C1=C(Nc2cccc(Cl)c2)S/C(=C/c2ccc(C(C)(C)C)cc2)C1=O 101395215 BLFMUAKOVRKFSK-CPNJWEJPSA-N 441.980 6.181 30 10 IKEE CCCCCCCCn1c(CCNC(=O)COc2ccc(Cl)cc2)nc2ccccc21 102142427 NCQORGROSJDCMP-UHFFFAOYSA-N 442.003 5.788 30 10 IKEE Clc1ccccc1CSc1nncn1/N=C\c1ccc(OCc2ccccc2)cc1 139670450 QTNSITQFNJZPPE-WGARJPEWSA-N 434.952 5.685 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccc(OC)cc2)c1 169926418 FWPGNUHMWGBEFX-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE COc1cccc(-c2csc(N/N=C\c3cccc(OC)c3OCc3ccccc3)n2)c1 169940539 RREBIFGGFIJDLT-YSMPRRRNSA-N 445.544 5.852 30 10 IKEE CCN(Cc1ccccc1)c1ccc(/C=N\Nc2nc(-c3ccc(C)cc3)cs2)cc1 169943184 XAOYNJAHGPOBQW-PKAZHMFMSA-N 426.589 6.591 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(OC(C)C)cc2)cc1 169979394 GHYGZBJLTDYHRI-QHCPKHFHSA-N 435.520 5.003 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2ccccn2)c1 169993899 WIOXHLFVNIQWDA-JOCHJYFZSA-N 448.906 5.225 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2ccncc2)ccc1F 170018908 UVAAVQAGHPQOPG-OAQYLSRUSA-N 436.870 5.274 30 10 IKEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@H]3c3ccccc3)nc2c1 170055989 IYEGDVFDIIOCSQ-HSZRJFAPSA-N 449.466 5.400 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccccn2)cc1 170067442 ORACYVOSBHTGIP-HSZRJFAPSA-N 446.934 5.637 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(C)cc2C)=C(N(CC)Cc2ccccc2)C1=O 170095016 WZFPSCKBPNMUAQ-UHFFFAOYSA-N 446.635 6.266 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(O)cc1)c1ccc2ccccc2c1 170131771 RNMBQWDGKJZZNV-DEOSSOPVSA-N 439.442 5.467 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2ccc(F)cc2)c1 170140407 SNYOLFSUHBDMSW-HSZRJFAPSA-N 426.447 5.398 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccs2)c1 170166482 VBJDYMSOHYRUPV-IBGZPJMESA-N 431.941 5.321 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccn2)ccc1Cl 170174223 VOFMZCNXMJOQKE-QFIPXVFZSA-N 448.906 5.225 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@H]1c1ccccc1F 170252540 VRAJTXAWKUIKAO-JOCHJYFZSA-N 425.500 5.239 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccccc1F 170253731 NCVUMSJDPAEXSA-FQEVSTJZSA-N 443.902 5.317 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1c[nH]c2ccccc12 170255726 YBUBXEABVDSVJR-HSZRJFAPSA-N 432.520 5.191 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)cc(Cl)c2OC)[C@H]1c1ccccc1C 170276652 IFFKHEKETXTWFK-LJQANCHMSA-N 448.346 5.689 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccco2)cc1 170283034 IIRJYPDSGMWOTQ-DEOSSOPVSA-N 445.515 5.940 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(C)o2)c1 170300164 OGPOOKKRXOENKB-BXKMTCNYSA-N 443.499 5.311 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)CC(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)c1 170471061 FOOFGUUREZCHGU-XMMPIXPASA-N 435.564 5.504 30 10 IKEE O=[N+]([O-])c1ccc(Cn2cc(C=Nc3ccc(N4CCOCC4)cc3)c3ccccc32)cc1 252639306 YJAKOAMKUVHCJK-UHFFFAOYSA-N 440.503 5.185 30 10 IKEE C=CCn1c(-c2ccc(C)cc2)c(NC(=O)c2ccco2)sc1=Nc1ccc(C)cc1 254288689 AFMOCADBQBPWKG-UHFFFAOYSA-N 429.545 6.097 30 10 IKEE CCCN1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)SC1=Nc1ccccc1 254292174 ORBYSQOCJBEZHN-AIMMPNMZSA-N 446.547 6.419 30 10 IKEE C=CCOc1ccccc1CNc1ccc(Br)c(I)c1 312867799 YRQPVQXAOVZMAH-UHFFFAOYSA-N 444.110 5.231 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccc(Cl)c2)cc1OC 526489887 UFDWLGIILMKEEK-HSZRJFAPSA-N 446.890 5.286 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 526514101 BSJYKSVIDUEMHD-OAQYLSRUSA-N 431.835 5.177 30 10 IKEE O=[N+]([O-])c1cccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccc(F)cc2)c1 526802728 MORJKNQFUKSUTI-MYYYXRDXSA-N 447.495 5.091 30 10 IKEE C=CCCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 586217884 IZYGYKUNGWDGAT-UHFFFAOYSA-N 427.953 5.690 30 10 IKEE CCCCCCCC[C@@H](N)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 686825067 YLTAFINLQFQGNH-XMMPIXPASA-N 445.692 6.014 30 10 IKEE CCCCCCCCCC[C@H](O)c1cc(NC(=O)OC(C)(C)C)ccc1Br 696099626 YXNBPJPPCAHQHK-FQEVSTJZSA-N 442.438 7.360 30 10 IKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C#N)c1c(Br)cncc1Br 698407395 NSQUSTUBVDYJEF-ZWNOBZJWSA-N 447.171 5.207 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccc(Br)c(Cl)c1 698419346 MRFVFKTYRMCOEL-SFHVURJKSA-N 435.749 6.417 30 10 IKEE CN(C)c1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)cc1 698460786 WMSCUQSXSTZVOX-LJQANCHMSA-N 430.346 5.521 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@@H](C#N)c1cccc(OCc2ccccc2)c1 710813456 JYNXAUJBPXABSS-DEOSSOPVSA-N 432.495 6.411 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CC[C@H]2COCC[C@@H]2C1 723663575 MQESSAIWQXGBFK-VWKPWSFCSA-N 435.362 5.290 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 724029703 RMRZPFJAAKZDFS-SBUREZEXSA-N 433.524 5.297 30 10 IKEE C#Cc1cccc(NC(=S)/C(=C(/O)c2cccc(C(F)(F)F)c2)[n+]2cccc(O)c2)c1 783695571 VPBDSFIDCNZSAY-UHFFFAOYSA-O 441.454 5.003 30 10 IKEE Cc1ccc(-c2csc(NN=Cc3ccccc3OCc3ccccc3Cl)n2)cc1 1084045074 KEXCLGNPAOORSH-UHFFFAOYSA-N 433.964 6.797 30 10 IKEE O=C1/C(=C\c2ccc(Br)o2)SC(=Nc2cccnc2)N1C1CCCCC1 1772731469 NGZXKDMNABAYCA-SAIIIAOYSA-N 432.343 5.374 30 10 IKEE CCOc1ccc(/C=C2\SC(=Nc3cccnc3)N(C3CCCCC3)C2=O)cc1OC 1772732491 XOXZJUHCZPKKPM-DRIWLZCMSA-N 437.565 5.426 30 10 IKEE Cc1nnc(N=C2S/C(=C\c3ccc(Cl)cc3Cl)C(=O)N2c2ccccc2)s1 1772735621 GAKFOZZJSGLDHY-KCBCAQTCSA-N 447.372 5.962 30 10 IKEE COc1ccc(OC)c(/C=C2\SC(=Nc3cccc(C)n3)N(C3CCCCC3)C2=O)c1 1772737355 NUJLVYYZGNOFNY-POLMPROESA-N 437.565 5.344 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=Nc1ccc(C(=O)O)c(O)c1 1772762075 HBRMMDHRAATCNS-VOBDFHKZSA-N 437.304 5.021 30 10 IKEE CCCCCCOc1ccc(C=NNc2nnc3c4ccccc4n(CCC)c3n2)cc1 1772764897 IJNVOCBIHHMSTM-UHFFFAOYSA-N 430.556 5.795 30 10 IKEE Fc1c(F)c(F)c(-c2ccc(-c3c(F)c(F)c(F)c(F)c3F)c(Cl)n2)c(F)c1F 1848358378 CCFAQQBIODLBAV-UHFFFAOYSA-N 445.643 6.460 30 10 IKEE CCc1ccc(-c2csc3nc(-c4ccncc4)n(Cc4cccc(C#N)c4)c(=O)c23)cc1 1857804904 PSTVIKQKZWTTSZ-UHFFFAOYSA-N 448.551 5.669 30 10 IKEE CCCCCCCCCCn1cc(OCCOc2ccc(C)cc2)c(=O)cc1C(=O)O 1857891097 MLAYPQKTWSKYPX-UHFFFAOYSA-N 429.557 5.453 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)Cc2ccc(Cl)c(Cl)c2)nc2ccccc12 1859657225 YKFIXBPJSOTGKI-UHFFFAOYSA-N 436.302 5.089 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)c1ccccc1OCC(C)C 1861357024 ZABPQGKBGOUOHQ-QHCPKHFHSA-N 432.649 5.877 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@@H]1c1cccc(OCC)c1 1862393121 OGLNKCZCVUDFJE-VWLOTQADSA-N 449.591 6.196 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2ccc(Cl)cc2Cl)cc1 1862394929 SGTCRYVHMXOSJC-OAQYLSRUSA-N 446.374 6.324 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@H]1c1ccccc1F)c1ccc(F)cc1F 1862411694 NENVXPDOWWVCKV-NRFANRHFSA-N 441.380 5.022 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1cccc(Cl)c1 1862417761 ZJJUZRCSDRNVGM-YIILKADPSA-N 445.893 5.775 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(N(CC)CC)cc1 1862438397 BBBNHIJBYQYEOE-OAQYLSRUSA-N 426.944 5.175 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@@H]1c1cccc(F)c1)c1cccc(Cl)c1 1862445321 SJYINMWNTMZUSW-OAQYLSRUSA-N 439.845 5.397 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCC2)c1 1862449432 LEZIQPDPXVCPBL-JOCHJYFZSA-N 439.939 5.650 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2ccccc2)cc1 1862614944 GUXMKCBMVHSAIW-HSZRJFAPSA-N 445.584 5.867 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccccc1Cl 1862618049 OAKAJEIKPHQOHN-YCRPNKLZSA-N 425.956 6.014 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(OCC)cc1 1862618308 CCXRJIQTPRSCJJ-DEOSSOPVSA-N 449.591 6.151 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCc3cnc[nH]3)[C@@H]2c2ccc(Cl)cc2)cc1 1862661548 RMMRJTJWTIWRDX-JOCHJYFZSA-N 449.938 5.008 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(OCCCC)cc1 1862670085 LSUJWLFSGWGWNZ-XMMPIXPASA-N 433.548 5.753 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2cccc(Cl)c2)cc1 1862689800 ZUTKDPITZQTLQB-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(O)cc1 1862724937 XIGISPREARHCND-XDHUDOTRSA-N 427.500 5.436 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)=C(O)C(=O)N1[C@@H]1CCCC[C@H]1C 1862736610 KRHPYSFZMPHEPZ-BSLALVQMSA-N 434.492 5.060 30 10 IKEE N#Cc1cccc(N2C(=O)C(Nc3ccc(Cl)c(Cl)c3)=C(c3cccs3)C2=O)c1 1863113424 RNEKDLXGSYJLOU-UHFFFAOYSA-N 440.311 5.323 30 10 IKEE CCCCCCCCNC1=C(c2cc(C)ccc2C)C(=O)N(Cc2ccc(F)cc2)C1=O 1863738077 BIZUDUZWQPJOHY-UHFFFAOYSA-N 436.571 5.673 30 10 IKEE C[C@H]1CN(c2cc(Nc3cccc(C#N)c3)nc(C(C)(C)C)n2)C[C@H](C)N1c1ccccc1 1868333706 RKOWLAUHJUFLKZ-PMACEKPBSA-N 440.595 5.493 30 10 IKEE C=CCn1cc(OCCCCOc2cccc(C)c2)c(=O)cc1CSc1ccccn1 1870223245 LVVGYSJLAUXXDP-UHFFFAOYSA-N 436.577 5.268 30 10 IKEE C#CCOc1cn(CCc2c[nH]c3ccccc23)c(CSCc2ccccc2)cc1=O 1870298639 HRINLVFDOXNRON-UHFFFAOYSA-N 428.557 5.018 30 10 IKEE CCCCCCCCCCn1cc(OCc2cccc(Cl)c2)c(=O)cc1CN(C)C 1870407850 NDTVBMARAFHGNJ-UHFFFAOYSA-N 433.036 6.283 30 10 IKEE CCCCCCCCn1cc(OCC(C)C)c(=O)cc1CN(CCO)Cc1ccccc1 1870436016 GNWITIZHYKHYQI-UHFFFAOYSA-N 442.644 5.238 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)c(Cl)c2)c(=O)cc1CNc1ccc(F)cc1 1870825949 KSHQQGBTNOLJQO-UHFFFAOYSA-N 433.310 5.671 30 10 IKEE CCCCCCCOc1cn(CCCCCO)c(CNc2ccc(OCC)cc2)cc1=O 1870838110 OWVVWDZRQBZMAD-UHFFFAOYSA-N 444.616 5.371 30 10 IKEE C=CCn1cc(OCc2c(Cl)ccc(Cl)c2Cl)c(=O)cc1CNc1ccccc1 1870852626 HXBUKCBGXAQAGT-UHFFFAOYSA-N 449.765 6.186 30 10 IKEE C=CCn1cc(OCCCOc2ccc(CC)cc2)c(=O)cc1CNc1cccc(C)c1 1870881133 RFYBDYWHNQXCIF-UHFFFAOYSA-N 432.564 5.365 30 10 IKEE C=CCn1cc(OCc2ccc(C(C)C)cc2)c(=O)cc1CNc1ccc(C)c(Cl)c1 1870897633 KZCSRGMQJHTWOX-UHFFFAOYSA-N 436.983 6.311 30 10 IKEE C#CCOc1cn(CCc2ccccc2)c(CNc2ccc(Cl)c(Cl)c2)cc1=O 1871005073 NKHZAOUJPGDVPD-UHFFFAOYSA-N 427.331 5.022 30 10 IKEE Cc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCc2ccc(Cl)cc2)C4)cc1 1871344256 AFRXANPHQWILDP-OYKKKHCWSA-N 445.946 5.968 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(-c4ccccc4)cc1)O3)CN(CCC(C)C)CO2 1871352991 KPBOQNKVOWVLHC-QQXSKIMKSA-N 439.555 6.476 30 10 IKEE Cc1cc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(Cl)cc2)C3=O)ccc1[N+](=O)[O-] 1871373523 KYDHRYLYGSRJSP-MTJSOVHGSA-N 449.846 5.700 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccccc4)cc(C)c3C2=O)c1OC 1871385020 AKRDHKQICVPHFM-UNMKBGRBSA-N 442.467 5.247 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871412373 YNXAPHUJHHFNPC-AOBKZXEFSA-N 427.500 5.580 30 10 IKEE O=C1/C(=C/c2ccc3c(c2)OCO3)Oc2cc(OCCOc3ccc(Cl)cc3)ccc21 1871412874 JFHOVPITBIIQTR-FMCGGJTJSA-N 436.847 5.143 30 10 IKEE Cc1c(OCCOc2ccc(C(C)(C)C)cc2)ccc2c1O/C(=C\c1ccccc1)C2=O 1871414424 GBXPMUUWEMSOMV-BWAHOGKJSA-N 428.528 6.367 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCCOc4ccc(C(C)(C)C)cc4)cc(C)c3C2=O)cc1 1871415210 VSUHLJFKAJPHIX-ONUIUJJFSA-N 442.555 6.675 30 10 IKEE CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)c1 1871425641 HYAKAACXPIMTGT-GQMTYKABSA-N 441.483 5.220 30 10 IKEE Cc1ccc(NC(=O)CCOc2cc(C)c3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871431262 LRTYOFBLVFSSLJ-UCQKPKSFSA-N 447.918 5.981 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccccc3C)ccc2C1=O 1871453602 HSRVILYDTHJOPS-OYKKKHCWSA-N 429.472 5.027 30 10 IKEE Cc1cccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)c1C 1871459232 MKPDQIYJQIREDG-DNUMDTLGSA-N 439.511 5.802 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1C)[C@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872441350 NKVXOFYDNOXTPQ-NTKDMRAZSA-N 442.625 5.232 30 10 IKEE CC(C)c1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 1872762080 CQAWZDXPOVALSX-CEQQRPIWSA-N 441.383 7.130 30 10 IKEE Cc1ccc(C)c(-c2csc([C@@H](C#N)C(=O)Cc3ccc(Br)cc3)n2)c1 1872771950 GMUPKRLTKCSTHD-SFHVURJKSA-N 425.351 5.608 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)Cc3cc(C)ccc3C)n2)c(OCC)c1 1872784193 PMEGLIUIPGATRZ-OAQYLSRUSA-N 434.561 5.643 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H](C)CC)=C(c2cccc(Cl)c2Cl)C1=O 1873128903 WAJAQFFOIXQANP-OAHLLOKOSA-N 425.400 5.822 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(C)ccc2OCC)=C(c2ccccc2)C1=O 1873414125 USLRDNYHCQCQTP-UHFFFAOYSA-N 434.580 5.946 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)cc2c(NCCc3ccccc3)ncnc21 1873607284 OPLOTAKJUVKKMI-UHFFFAOYSA-N 425.536 5.141 30 10 IKEE C=CCn1c(C(=O)Nc2cc(C)ccc2C)cc2c(NCc3ccc(OC)cc3)ncnc21 1873635860 ANMWNYXUYCDHDW-UHFFFAOYSA-N 441.535 5.107 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CCCOc2ccccc2C)nnc1SCC=C 1874250123 VGIHHNFQUAVQQK-LGUFXXKBSA-N 448.592 5.323 30 10 IKEE CCSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1ccc(Cl)c(Cl)c1 1874261814 UCKJQAFQHHLYII-NUGSKGIGSA-N 443.306 5.436 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2cc(C)ccc2O)cc1 1874389515 QZYMMORXARDHAP-WGOQTCKBSA-N 428.561 5.366 30 10 IKEE Oc1ccccc1/C=N/n1c(CCc2ccccc2)nnc1SCc1ccc(F)cc1 1874398685 NXJGAOZBAKBVKX-WGOQTCKBSA-N 432.524 5.083 30 10 IKEE Cn1cccc1/C=N/n1c(CC(C)(C)C)nnc1SCc1ccc(Cl)cc1Cl 1874440439 ATYRZPJVZCIXFM-FSJBWODESA-N 436.412 5.687 30 10 IKEE Oc1ccc(Cl)cc1/C=N/n1c(SCc2ccc(F)cc2)nnc1C1CCCC1 1874452915 USZIFPRTQPQJRW-WYMPLXKRSA-N 430.936 5.608 30 10 IKEE COc1ccc(OC)c(/C=N/n2c(SCc3ccc(C)cc3)nnc2-c2ccco2)c1 1874464095 QSKKWZKUXSMWEU-ZVHZXABRSA-N 434.521 5.038 30 10 IKEE C=C(C)CSc1nnc(C(C)C)n1/N=C/c1ccc(OCCCCC)c(OCC)c1 1874513133 IXMNSKUYACHNLT-BUVRLJJBSA-N 430.618 5.920 30 10 IKEE Fc1ccc(Br)cc1/C=N/n1c(SCCc2ccccc2)nnc1C1CC1 1874520046 YYHGYQIZVBOGCR-YDZHTSKRSA-N 445.361 5.274 30 10 IKEE CCCOC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(OC)cc1OC 1874587915 LCUIRBYIUMMWFX-OUKQBFOZSA-N 434.488 5.085 30 10 IKEE Cc1ccc(NC(=O)COc2cccc(/C=C/C(=O)c3ccc4ccccc4c3)c2)c(C)c1 1874593009 NGRSDKJSKSDZER-RVDMUPIBSA-N 435.523 6.370 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(Cl)c1OCc1cccc(F)c1 1874605128 QXPQDCITBFUGIV-JLHYYAGUSA-N 438.926 6.915 30 10 IKEE CCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(F)cc1 1874680116 BMBYHYHHCOWISP-DEOSSOPVSA-N 437.559 5.724 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(Cl)cc3)c2)cc1OC 1874694046 JBTNCBYNVNBJNN-XYOKQWHBSA-N 436.891 5.401 30 10 IKEE C[C@H](C(=O)Oc1cccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1)c1ccccc1 1874702719 GQRXSIKXTTXMJB-ISBHARSQSA-N 425.311 6.599 30 10 IKEE O=C(Oc1cccc(/C=C/C(=O)c2cccc3ccccc23)c1)c1ccc(-n2cccc2)cc1 1874708327 XAKIQDHCPREZMC-QGOAFFKASA-N 443.502 6.746 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cccs3)c2)cc1 1874708574 JWUXWOGQDOUVBJ-SFQUDFHCSA-N 448.584 7.213 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1OC(=O)[C@@H](C)c1ccccc1 1874710478 CSUAEYCBEYECTI-VKXNWWILSA-N 442.555 6.534 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc1OC(=O)Cc1cccs1 1874718723 UKFXGXSSUKPKQW-VMPITWQZSA-N 442.920 5.463 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)CCOc2ccccc2)c1 1874718750 VIRBJXLIGYULIR-ZRDIBKRKSA-N 436.891 5.619 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(C)cc2C)CSc2nnc(C3CCC3)n21 1874883691 NLHJYSRFPYMCSH-JOCHJYFZSA-N 440.657 6.225 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc4ccccc34)c(OC)c2)cc1 1875101789 QUFAWJMOARWOSD-GHRIWEEISA-N 436.507 6.526 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3C)c(OC)c2)cc1C 1875109150 YHNFQPQEVPTIGD-UKTHLTGXSA-N 444.527 5.755 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OC(=O)c1cccc(OC)c1 1875112938 NUKRHOPXPHLSJR-RIYZIHGNSA-N 432.472 5.218 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc(Cl)c3)cc2[N+](=O)[O-])c1 1875124434 KQYRCFBGUJENFC-SOFGYWHQSA-N 435.863 5.980 30 10 IKEE CCCCCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc1OC 1875152987 NZYHFWSHWSPJST-ZRDIBKRKSA-N 444.499 5.623 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(Br)c1OC(C)=O 1875154589 MKODFRUWCULJNA-ZHACJKMWSA-N 425.278 5.432 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)c1sccc1C 1875157815 PSDMELOBGNXDJC-FPYGCLRLSA-N 430.884 5.973 30 10 IKEE C=CCCCCC[C@H](N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875689737 LIEHUCLLDOILOY-LITSAYRRSA-N 445.603 6.342 30 10 IKEE C#CCCCCCCNC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1901041322 DQFFPBRFQUEONE-SANMLTNESA-N 446.591 5.250 30 10 IKEE CN[C@H](CC#CC1CCCCC1)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 1944818306 DSANOQUDAFHIGZ-HUVFLSCGSA-N 428.617 5.047 30 10 IKEE CCCCCCCC(C)(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952486087 GYWRBVAUDPNORE-DEOSSOPVSA-N 437.580 6.365 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CC12CCC(C#N)(N(CC1CC1)C(=O)OC(C)(C)C)CC2 1996455827 YAFHKFDPZCHDHT-WZFBRQLOSA-N 433.593 5.001 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCC1)[C@@]1(C#N)CCC(F)(F)C[C@H]1OCc1ccccc1 1998813830 JMHKCBAMQDVCEO-NFBKMPQASA-N 434.527 5.833 30 10 IKEE C=C1CCC(C[C@@H](C[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)NCCC)CC1 2035464151 YVROVDBGCSNWCF-DQEYMECFSA-N 444.660 5.991 30 10 IKEE N#CCCn1cc(C=C(C(=O)c2ccccc2)c2nc3ccccc3[nH]2)c(-c2ccccc2)n1 2040459511 VKVOMFLLPQLWNC-UHFFFAOYSA-N 443.510 5.764 30 10 IKEE C=CCN(CC[C@H](Cc1ccc(Cl)c(Br)c1)NC)C(=O)OC(C)(C)C 2047970548 LCBVQRAZCWGVHX-OAHLLOKOSA-N 431.802 5.046 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1CN(C(=O)OC(C)(C)C)CC12CCCC2 2054785273 ACTQMRNXEKDBAH-BJKOFHAPSA-N 442.644 5.555 30 10 IKEE CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2067953202 HQMHLHCLEOMTCX-DVECYGJZSA-N 447.551 5.495 30 10 IKEE Cc1ccc([C@@H](n2nc(C(F)F)c(C#N)c2I)C2(C)CC2)c(F)c1 2079138655 YAYIEUDZBSGGFK-CQSZACIVSA-N 445.226 5.134 30 10 IKEE CC(C)(C)c1nn(-c2ccc(C(F)(F)F)c(F)c2)c(Br)c1C(F)(F)F 2079701678 IEHYWITXLDZGSG-UHFFFAOYSA-N 433.165 6.109 30 10 IKEE CCc1nn([C@@H](c2ccc(C3CCC3)cc2)C2CC2)c(I)c1C=NO 2079906855 BFQFQIJVAPTJEV-IBGZPJMESA-N 449.336 5.125 30 10 IKEE CC(C)(C)c1nn([C@H](c2ccc(C3CCC3)cc2)C(C)(C)C)c(Br)c1C#N 2079987388 UAMXEAUILSUQQO-HXUWFJFHSA-N 428.418 6.718 30 10 IKEE COc1ccc([C@@H](n2nc(C3CCC3)c(C#N)c2I)C2(C)CC2)cc1 2080053233 SEBVHZMVVONLNT-GOSISDBHSA-N 447.320 5.025 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(C)sc(C)c1Br 2102879749 JEHOHAHXAMJCNV-QAPCUYQASA-N 443.451 5.475 30 10 IKEE C=CCN(CC[C@@H](Cc1cc(Cl)c(C)c(Br)c1)NC)C(=O)OC(C)(C)C 2111271404 AKWPLGDPFAUJHS-INIZCTEOSA-N 445.829 5.355 30 10 IKEE C[C@H](C[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1)C(F)(F)F 2121445340 QTRAPAFIMTVZLU-PXAZEXFGSA-N 435.284 6.061 30 10 IKEE C[C@@H](NC(=O)OC(C)(C)C)c1cccc(Nc2cc(Br)c(C#N)cc2F)c1 2162323768 KBKMFUYKJCPMBG-GFCCVEGCSA-N 434.309 5.789 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1sc(C)c(Br)c1C 2218930727 GHPRZLSCEDWQNN-HOCLYGCPSA-N 431.440 5.638 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1sc(C)c(C)c1Br 2229305710 AAINOLHXMAHDFQ-NVXWUHKLSA-N 445.467 6.028 30 10 IKEE CCOc1ncc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)s1 2231291350 QPWSOCYXUYHICF-CQSZACIVSA-N 438.347 5.311 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Cl)cc(Cl)c1Cl 2235580938 IGXYFLIOTNKFIV-FUHWJXTLSA-N 435.823 6.547 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)CC(C)(C)[C@@H](C)NC(=O)OC(C)(C)C 2235716158 DWMDMWGYKCCQCV-SJLPKXTDSA-N 437.422 5.108 30 10 IKEE C#CCCN(C(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 2243926614 LNVHSGZRWNBMLO-AREMUKBSSA-N 446.591 5.200 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1sc(Br)c(C)c1C 2265931413 DHEBJUZFCMMCOP-HOTGVXAUSA-N 445.467 6.028 30 10 IKEE CCCC[C@H](CC)CSc1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2278252772 JTJYHCZJIXAREY-AWEZNQCLSA-N 428.245 5.452 30 10 IKEE N#C[C@H](C(=O)c1scc(Br)c1Cl)c1ccc(Br)cc1F 2279291929 VKXBTJPTBHLIAO-QMMMGPOBSA-N 437.515 5.556 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)[C@]2(C#N)Nc1ccc(Br)cc1 2285815595 SYADBNGSPSIYLC-LEBLXSNJSA-N 434.378 5.227 30 10 IKEE CCOCCN1C(=O)C(=Cc2ccc(-c3cccc(F)c3)o2)SC1=Nc1ccccc1 2293990166 BRYNBLNOQPNQEA-UHFFFAOYSA-N 436.508 5.726 30 10 IKEE COC(=O)c1ccc(C=C2SC(=Nc3c(C)cccc3C)N(c3ccccc3)C2=O)cc1 2295146341 CMLPCGAZLNCEMU-UHFFFAOYSA-N 442.540 5.899 30 10 IKEE CCN1C(=O)C(=C2Sc3ccc(OC)cc3N2C)SC1=Nc1cccc(Cl)c1 2295203837 KIHNHOGJELRPDK-UHFFFAOYSA-N 431.970 5.343 30 10 IKEE CCC1CCC(NC(=O)OC(C)(C)C)(C(=O)C#Cc2ccc(Br)cc2)CC1 2296281838 OZEVCJJOWPCAJG-UHFFFAOYSA-N 434.374 5.233 30 10 IKEE CC1CC(CS)(CSc2cc(I)ccc2Br)C1 2300805535 PKSMAPGWZGJSMT-UHFFFAOYSA-N 443.213 5.492 30 10 IKEE N#Cc1nc(-c2ccccc2)oc1NN=Cc1ccc(OCc2c(F)cccc2Cl)cc1 2320833987 RSIQWJJGYLMOAF-UHFFFAOYSA-N 446.869 6.031 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CC3)n2N=Cc2ccc(Cl)c([N+](=O)[O-])c2)c1 2320858267 VJIHNIRXDXJTGG-UHFFFAOYSA-N 441.944 5.508 30 10 IKEE CCCCCCCCNC(=O)c1ccc(CN2CCN(CC=Cc3ccccc3)CC2)cc1 2321755913 UKQKRVKBSSFOIG-UHFFFAOYSA-N 447.667 5.608 30 10 IKEE COc1cc(C=C2Oc3cc(OCc4cccc(F)c4)ccc3C2=O)cc(OC)c1OC 2321884524 XYFZPXWVFQJJIR-UHFFFAOYSA-N 436.435 5.047 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc4c3CN([C@H](C)c3ccc(CC)cc3)CO4)C2=O)cc1 2322260224 YTTBENAIFZYZKS-LJQANCHMSA-N 439.555 6.341 30 10 IKEE Cc1cccc(NC(=O)COc2ccccc2C=CC(=O)c2ccc3ccccc3c2)c1C 2322312587 NYSIYLXDSSXOAI-UHFFFAOYSA-N 435.523 6.370 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccccc1OCC(=O)Nc1cc(C)ccc1C 2323022239 CWEYCAGDDACGGF-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)C(Cl)(Cl)Cl)cc(C)c3C2=O)cc1 2323038857 DDLJQBBBGUSQQG-UHFFFAOYSA-N 425.695 5.449 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC)c(OCCc3ccccc3)c2)c1 2323260556 VGRJAIVZWMCPEV-UHFFFAOYSA-N 446.543 6.010 30 10 IKEE CCOc1c(OC)ccc(C=CC(=O)c2cc(C)c(Cl)cc2OC)c1Br 2323288994 FGSQDEHKCHEXIN-UHFFFAOYSA-N 439.733 5.723 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCC)NC(=O)C=Cc1ccc(Cl)cc1Cl 2323310424 JBVAEGBLMRKBIA-HXUWFJFHSA-N 427.416 5.768 30 10 IKEE O=C(Cc1cc(Cl)ccc1Cl)Oc1ccc2c(c1)OC(=Cc1cccnc1)C2=O 2323403749 BUSFFPOHBMVRNY-UHFFFAOYSA-N 426.255 5.153 30 10 IKEE Cc1c(OC(=O)c2cccc3ccccc23)ccc2c1OC(=CC=Cc1ccccc1)C2=O 2323481613 FHRPIQOLKRENDB-UHFFFAOYSA-N 432.475 6.540 30 10 IKEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccc(C)cc1 2323675208 QMYKYZOHOLHJIC-UHFFFAOYSA-N 433.460 5.396 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2sccc2C)C3=O)cc1 2323889975 OKTYUYMAQJTXRC-UHFFFAOYSA-N 448.496 5.516 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(O)c3CN(Cc3ccccc3)C(C)C)C2=O)cc1 2324011939 GAJQPHYETUUYTE-UHFFFAOYSA-N 429.516 5.428 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3)cc2)cc1C(C)C 2324261707 ISWDLUZVMRWYQQ-UHFFFAOYSA-N 434.963 7.256 30 10 IKEE Cc1ccsc1C=C1Oc2cc(O[C@@H](C)C(=O)Nc3ccccc3Cl)ccc2C1=O 2324388977 UEDOLHXJJMORIG-AWEZNQCLSA-N 439.920 5.732 30 10 IKEE COc1ccc(C=C2Oc3cc(OCCCCOc4cccc(C)c4)cc(C)c3C2=O)cc1 2324571029 MUVBBWOQRJMZTG-UHFFFAOYSA-N 444.527 6.166 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCCOc4ccc(C(C)(C)C)cc4)cc(C)c3C2=O)c1 2324690467 MIOAJCYXBJYJPH-UHFFFAOYSA-N 442.555 6.675 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCCOc4cccc5ccccc45)cc(C)c3C2=O)c1 2324694100 PONVKRBWWLHMJC-UHFFFAOYSA-N 436.507 6.531 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc4c(c3)OCCO4)n2)c(C)c1C 2324706280 KBWHGUGPHYMURQ-LJQANCHMSA-N 446.528 5.096 30 10 IKEE COc1ccccc1C=C1Oc2cc(OC(c3ccccc3)c3ccccc3)ccc2C1=O 2325215884 XCNNOBZUIAFSHV-UHFFFAOYSA-N 434.491 6.480 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc4nc(C)c(C)nc4c3)c2)cc1 2325705679 LHXVTYKIEVHKQG-UHFFFAOYSA-N 436.511 5.924 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OCc4cccc(C)c4)cc(C)c3C2=O)cc1 2325721067 DFEAQXYWPFRKKB-UHFFFAOYSA-N 427.544 6.345 30 10 IKEE CCc1ccc(CCC(=O)Oc2cc(C=CC(=O)c3ccccc3OC)ccc2OC)cc1 2325723295 SOVQILMZUSPWTL-UHFFFAOYSA-N 444.527 5.701 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4C(C)C)cc(C)c3C2=O)c1 2325726454 XDUMPPFJTHLLKW-UHFFFAOYSA-N 441.527 6.061 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1OC(=O)c1cccc(Cl)c1 2325727728 CBYIYRBPYQVOTB-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3ccc(Cl)cc3)c2)cc1F 2325748641 OSWVUTQDJKOLOK-UHFFFAOYSA-N 440.854 5.368 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1OC(=O)CCCSC 2325756596 AMJYODAORLFPHU-UHFFFAOYSA-N 426.578 5.874 30 10 IKEE CCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccc(CC)cc1 2326002848 PFSVNHSYLDEMLP-UHFFFAOYSA-N 428.989 5.500 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1N=Cc1ccccc1OCC(C)C 2326272362 ZTTTYHFMHJMFCO-UHFFFAOYSA-N 426.561 5.579 30 10 IKEE Cc1ccc(CSc2nncn2N=Cc2cc(Cl)c(OC(C)C)c(Cl)c2)cc1 2326287325 SZBYKDOPSATJRX-UHFFFAOYSA-N 435.380 5.855 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccc(OCC)cc1OCC 2326303347 KYTBTFIRWRYQRU-UHFFFAOYSA-N 438.597 5.511 30 10 IKEE C=CCOc1ccccc1C=Nn1c(COc2ccc(CCC)cc2)nnc1SCC=C 2327383566 AKBVIRYTTPSSDY-UHFFFAOYSA-N 448.592 5.535 30 10 IKEE Fc1ccccc1CSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc[nH]1 2327753882 PXHXVGQHTLOPJC-UHFFFAOYSA-N 441.535 5.664 30 10 IKEE CCCOc1cccc(C=Nn2c(CCc3ccccc3Cl)nnc2SCCC)c1 2327980070 MVNFKNYMLRSTDQ-UHFFFAOYSA-N 443.016 5.890 30 10 IKEE CCOc1ccc(Cc2nnc(SCC)n2N=Cc2ccc(C(F)(F)F)cc2)cc1 2328568146 SPGTTYGQIIUSDK-UHFFFAOYSA-N 434.487 5.281 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1cn(C)c2ccccc12 2328790095 MEDBNZAIRCDVJC-UHFFFAOYSA-N 445.592 5.516 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccc(C)cc3)n2N=Cc2cccc(C)c2)cc1 2329241480 VZWJQMRNXBTSPP-UHFFFAOYSA-N 442.588 5.669 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2ccccc2C)cc1C 2329390541 FXOSAFMLMSIOSQ-UHFFFAOYSA-N 440.616 6.277 30 10 IKEE CCCSc1nnc(-c2ccccc2Cl)n1N=Cc1cccc(Br)c1 2329602840 FPHCXTMIGAURDF-UHFFFAOYSA-N 435.778 5.745 30 10 IKEE Clc1cccc(C=Nn2c(COc3ccccc3)nnc2SCCc2ccccc2)c1 2329919880 QVVUILUIHBHLBP-UHFFFAOYSA-N 448.979 5.728 30 10 IKEE Clc1ccc(CSc2nnc(COc3ccccc3)n2N=Cc2ccncc2)cc1 2329921955 NAXIVIDMLMNJCK-UHFFFAOYSA-N 435.940 5.080 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3F)n2N=Cc2sccc2C)cc1 2329995297 UTBSAUNRQJRROQ-UHFFFAOYSA-N 436.581 5.861 30 10 IKEE Cc1cccc(C=Nn2c(SCc3ccccc3F)nnc2[C@H](C)c2ccccc2)c1 2330108421 FWIFSSGBVDXSKS-LJQANCHMSA-N 430.552 6.052 30 10 IKEE COc1ccccc1C=Nn1c(CC2CCCCC2)nnc1SCc1cccc(F)c1 2330249149 FNZUDJQPRMXCFY-UHFFFAOYSA-N 438.572 5.723 30 10 IKEE COc1ccccc1C=Nn1c(Cc2cccs2)nnc1SCc1cccc(F)c1 2330358766 GTBICFIEOZVXDI-UHFFFAOYSA-N 438.553 5.253 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(OC)c2)cc(OC)c1OC(=O)C1CCC1 2330733848 QLYOEBQQWVVWMU-UHFFFAOYSA-N 436.504 5.043 30 10 IKEE Cc1ccccc1CSc1nnc([C@H]2CCCO2)n1N=Cc1ccccc1OC(C)C 2330896231 OJQPFFCEFGOGAJ-JOCHJYFZSA-N 436.581 5.400 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3ccccc3F)nnc2C(F)(F)F)cc1 2331136675 YFVYNGZBFKJJHX-UHFFFAOYSA-N 438.450 5.399 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)c1ccc(F)c(F)c1F 2331179268 HQXYDNKPULCWTP-UHFFFAOYSA-N 426.390 5.618 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)Cc1ccc(C)cc1 2331444165 TVEFWBFZWTWYHG-UHFFFAOYSA-N 444.483 5.167 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OC(=O)CC1CCCCC1 2331565584 WBWPHNVPIWJVCT-UHFFFAOYSA-N 428.475 6.135 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc(OC)c1OC(=O)CC 2331597429 HJFIXIFUTNQMIZ-UHFFFAOYSA-N 442.511 6.428 30 10 IKEE C=CCc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OC(=O)C1CCCC1 2331657494 PSUOKKRIIACFRK-UHFFFAOYSA-N 446.587 6.649 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1 2331665121 QHOYSFYHQYSHST-UHFFFAOYSA-N 445.471 5.644 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc(OC)c1OC(=O)C1CCC1 2331789626 NDFNTEZVWJTBOJ-UHFFFAOYSA-N 436.548 5.911 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)cc3)c(Cl)c2)cc1Cl 2331818916 FJGHTDOJPYMEFQ-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Br)cc(COC)c1 2362291486 SVDRLKZTIYZKMN-OALUTQOASA-N 441.410 5.106 30 10 IKEE O=C(/C=C/c1ccccc1)Nc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1 20508586 ZZKBEJQDHVCQDQ-GONBZBRSSA-N 432.317 5.997 30 10 IKEE COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cccc(Cl)c1 20881525 JMMRKAYXNUNJHJ-QLXKLKPCSA-N 430.935 6.328 30 10 IKEE C=C1C[C@]2(CO)CC[C@@H]3[C@@H](CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)CC[C@]43C)[C@H]2[C@@H](C)[C@@H]1C 31542233 SKTKWKQBCTYFMA-SYPJQWRVSA-N 440.712 7.061 30 10 IKEE COc1cccc(/C(C)=C2\S/C(=N/c3nc(C)cs3)N(C3CCCCC3)C2=O)c1 39865647 HRXUUSVLSBSLRZ-HVYSLKEZSA-N 427.595 5.787 30 10 IKEE C=CCNC(=O)c1c(Nc2ccccc2)sc2c(-c3ccccc3)c(C#N)c(N)nc12 39895267 WMNJVIFVHHUNHV-UHFFFAOYSA-N 425.517 5.077 30 10 IKEE C=CCN1C(=O)/C(=C\c2cccc(OC)c2OCc2ccc(Cl)cc2)SC1=S 59167720 BWPCOTGLTWSYFS-LDADJPATSA-N 431.966 5.315 30 10 IKEE Oc1c(Br)cc(Br)cc1/C=N/c1ccc(Cc2ccncc2)cc1 59383718 RGLIABFRPSVJIA-FSJBWODESA-N 446.142 5.654 30 10 IKEE CCCCCCCCCCCCCCCCNCC(=O)Nc1ccc(C(=O)NCC)cc1 100056027 CKDODNLPPKIWFX-UHFFFAOYSA-N 445.692 6.446 30 10 IKEE CCCCCCCCCOc1ccccc1CNCc1cc(OC)c(OC)cc1Cl 100153356 OTTPLIUKGYFKHA-UHFFFAOYSA-N 434.020 6.776 30 10 IKEE CCCCCCCC(=O)NC(=S)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 100170721 SQQPHCNFFLLPGF-GOSISDBHSA-N 425.598 5.351 30 10 IKEE CC(C)(C)C1=CC(/C=C/C2=C[C@@H](C(C)(C)C)C(=O)C(C(C)(C)C)=C2)=C[C@@H](C(C)(C)C)C1=O 100237978 ZDIDXLNLBLSWQH-DOZDWOLESA-N 436.680 7.830 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1ccc(OCCOC)cc1 100443891 ZYMLBVJIRWIBPO-UHFFFAOYSA-N 436.662 6.226 30 10 IKEE CCCCCCCCNCc1ccc(-c2ccc(Br)cc2Br)o1 104319202 QILOELBXOZMPEG-UHFFFAOYSA-N 443.223 6.922 30 10 IKEE CCOc1cc(/C=N\S(=O)(=O)c2ccc(C)cc2)ccc1OCc1cccc(Cl)c1 169908674 WEPSDICLAQGZHE-MYYYXRDXSA-N 443.952 5.434 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2cc(C)ccc2C)cc1 169924672 NAENZUAEESYNQO-XMMPIXPASA-N 427.500 5.403 30 10 IKEE CCCN1C(=S)N[C@@H](c2cccc(OCc3cccc(Cl)c3)c2)C(C(C)=O)=C1C 169930129 JGTOJFLRQSQIEW-QFIPXVFZSA-N 428.985 5.423 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@@H]1c1ccc(N(C)C)cc1 169954294 CYDLIJAWLAARBL-SANMLTNESA-N 440.543 5.163 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccc(F)cc2F)c1 169971312 GOSBGTQEYUJYRU-QFIPXVFZSA-N 437.417 5.504 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2cccs2)cc1 169984999 DVMUKGREUSRXBZ-QFIPXVFZSA-N 433.529 5.547 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2cccc3ccccc23)c1 170044625 VNXBOWPHKALBBY-CPJSRVTESA-N 441.527 5.214 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)C)cc2)[C@H]1c1ccccc1 170048638 FOZQFYRACVXSPB-DEOSSOPVSA-N 427.500 5.602 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc(Cl)cc1)c1cccc(Cl)c1 170057454 ANEDRPLGVFDIHV-HXUWFJFHSA-N 442.273 5.915 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccccc2F)c1 170069183 NWKVZUZMXXWYNW-QFIPXVFZSA-N 435.426 5.065 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2Cc2cccs2)c1 170139067 WLRSSAFSBGBPMJ-DEOSSOPVSA-N 443.568 5.714 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccs2)cc1C(C)C 170166507 ZTPMINMNQLXCHD-JOCHJYFZSA-N 439.577 5.709 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@@H]1c1ccc(OCC)cc1 170213579 PNBKHMKIPKMNJV-QFIPXVFZSA-N 437.536 5.089 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc2ccccc12 170220811 HEOQGJKPSLRBOE-SANMLTNESA-N 435.523 6.371 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccccc2)c1 170227740 HRCFDJGTUPQMGT-RUZDIDTESA-N 439.511 5.362 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccccc2)ccc1Cl 170227989 DLMVJDYDUABQGX-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1ccccc1C 170277496 HVBPEMPNDIEIPU-XMMPIXPASA-N 435.564 5.859 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@@H]2c2ccco2)c1 170282764 QSKLRDIMHLXJGK-DEOSSOPVSA-N 445.515 5.775 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccco2)cc1C(C)C 170282910 AHAATPHMTNQQIF-XMMPIXPASA-N 445.515 5.811 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1c(C)[nH]c2ccccc12 170311860 JVIQLGJOBURKNV-RUZDIDTESA-N 442.559 5.734 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1sccc1C 170319501 UCXBLWXCXCGOEM-SFHVURJKSA-N 431.941 5.239 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc(OC(C)=O)c1 170321044 LVCSPUJWKVHSTI-DEOSSOPVSA-N 443.499 5.144 30 10 IKEE CCCCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(CC)cc2)cc1 170391699 PETRTIJUKAPQOZ-AREMUKBSSA-N 439.555 6.375 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1cccc(Oc2ccccc2)c1 170456337 YVGLNXBSXGKNFD-VWLOTQADSA-N 443.499 5.700 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]2c2cccc(C)c2)cc1OCC 170459474 FTYZCZSFTOFBJV-DEOSSOPVSA-N 437.536 5.308 30 10 IKEE O=C(COc1ccc2ccccc2c1)N=C1N=C2C=CC(Cl)=CN2Cc2ccccc21 254309726 WQMFEVZEJFTCCU-UHFFFAOYSA-N 427.891 5.056 30 10 IKEE CCOc1ccccc1N=C1SC[C@@H](C)N1C(=O)C1c2ccccc2Oc2ccccc21 254814774 MTQXMUIZZNAIMP-QGZVFWFLSA-N 444.556 5.975 30 10 IKEE C=CCOc1ccccc1CNc1ccc(I)cc1Br 380318364 YLCXBBNJYBTFNF-UHFFFAOYSA-N 444.110 5.231 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(F)ccc(Br)c1F 407483146 XBILPHJCWLNBRH-PBHICJAKSA-N 433.337 5.237 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2sccc2C)cc1OC 526486461 LFHYSBKICAVYLD-QFIPXVFZSA-N 446.528 5.393 30 10 IKEE Cc1ccc(NC2=C(Sc3ccccc3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1Cl 526635940 DJLXKQBZYCKOJY-UHFFFAOYSA-N 445.931 5.509 30 10 IKEE CCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1ccc(OC(C)C)c(Cl)c1 526804243 JTTSWGMUBOUYGL-CFRMEGHHSA-N 428.989 5.764 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccc(O)c(OCC)c1 526822263 VSBLJZDTHGBEHN-QQXSKIMKSA-N 446.576 5.663 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2cccc(C)c2)cc1 586230768 MKQINNPNHKAOBD-UHFFFAOYSA-N 446.616 6.385 30 10 IKEE CCc1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 586240947 JEIMPIARIJONHA-UHFFFAOYSA-N 445.371 5.823 30 10 IKEE C=CCN(CC=C)C(=O)Nc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 586673711 XSBIUPOGJJHIQB-UHFFFAOYSA-N 437.849 5.817 30 10 IKEE COCc1ccccc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 698457031 OYEBDTVVBJCPIJ-LJQANCHMSA-N 431.330 5.602 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@]1(C#N)CCc2c(Br)cccc21 698825414 OVMUHPIHPHOGSH-HXUWFJFHSA-N 433.371 5.613 30 10 IKEE Cc1nc([C@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)sc1Br 719326288 HBQYFUIOQIHDDK-LBPRGKRZSA-N 428.377 5.278 30 10 IKEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccc(C)c(Br)c1C 719631292 DIXMDIQVSRLSPC-SFHVURJKSA-N 438.410 5.210 30 10 IKEE C=C1CCC(C[C@H](NCC)c2cc(I)ccc2Br)CC1 724545503 RILUHDLAVQXHDK-KRWDZBQOSA-N 448.186 5.841 30 10 IKEE Fc1ccc(C=NNc2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)(F)F)n2)s1 1081014433 NKWHHQNUUVFEIA-UHFFFAOYSA-N 435.233 6.116 30 10 IKEE CC(C)N1C(=O)/C(=C2/SC(=Nc3ccccc3)N(C3CCCCC3)C2=O)c2ccccc21 1083920371 ZLXNDITXEAJULI-OHHJCTMOSA-N 445.588 5.749 30 10 IKEE CC(C)(C)NC(=O)CSc1nc2ccc(N=Cc3cc(Cl)ccc3O)cc2s1 1084133299 QMACFVFYNFGMDG-UHFFFAOYSA-N 433.986 5.413 30 10 IKEE CN1C(=O)C[C@@H](C(=O)Nc2ccc(Cl)cc2)SC1=Nc1cc(Cl)cc(Cl)c1 1084644436 HVMQVKSXWFNABH-HNNXBMFYSA-N 442.755 5.237 30 10 IKEE C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1ccc2nc(O)oc2c1 1465762840 COWXRRPAXDQGNX-ZDUSSCGKSA-N 432.411 5.219 30 10 IKEE COc1ccccc1/C=N/N=C1/S/C(=C/C=C/c2ccccc2)C(=O)N1Cc1ccco1 1615303972 PCVGKOUSEUWJMM-XNOQNGATSA-N 443.528 5.351 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(OCc3ccc(C)cc3)cc2)SC1=Nc1nc(C)cs1 1772737543 XOMOJBVNVXMYKE-TVWUMHKZSA-N 449.601 5.963 30 10 IKEE CCCCCCCCCCn1cc(OCc2ccc(Cl)cc2F)c(=O)cc1C(=O)O 1857891355 SJARVBXGFNPCHM-UHFFFAOYSA-N 437.939 6.059 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)c1ccc2nc(C(C)(C)C)[nH]c2c1 1861446343 GSERAJZWZQJEPG-HXUWFJFHSA-N 442.648 5.626 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(Cl)cc2)n(Cc2ccccc2Cl)n1 1862361610 UDAZSJGBAYZPHH-UHFFFAOYSA-N 426.347 5.719 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CC(C)C)cc1 1862406660 VEKIQYVVRDXHJH-HSZRJFAPSA-N 437.536 5.027 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1cccc(F)c1 1862413901 NDBBARONFUCZHK-XMSQKQJNSA-N 445.481 6.041 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(OCC)cc1 1862436274 PDJKLARPKZIUNA-NRFANRHFSA-N 427.928 5.507 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2[N+](=O)[O-])c1 1862492765 YWGGAXTXJQMSKI-OAQYLSRUSA-N 448.500 5.052 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc(Br)c3)=C(O)C(=O)N2CCC(C)C)c1 1862524121 XONSTKRLHIOAHR-HXUWFJFHSA-N 442.353 5.382 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccccc2F)cc1 1862529375 FIGVTVOILNLEDG-XMMPIXPASA-N 433.523 5.857 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862532318 VZQFLAYLYLPRMV-POCHDABASA-N 448.519 5.314 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CC)cc1 1862587322 OPLNYOSQXOWBOT-FQEVSTJZSA-N 448.346 5.771 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2Cl)cc1F 1862640999 OCCBHYGSVGVEKG-HXUWFJFHSA-N 429.875 5.009 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCc2ccccc2)cc1 1862649042 PIDCTDMNKHZJHJ-HHHXNRCGSA-N 447.534 5.969 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1F)c1cccc2ccccc12 1862650584 YSFAQHYAWFDSBG-RUZDIDTESA-N 437.470 5.757 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccc1Cl 1862652683 JMKZBNOVUSMSMA-QFIPXVFZSA-N 435.907 5.108 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2ccccc2F)c1 1862660303 KAZBNHRGSPPPQO-VWLOTQADSA-N 443.518 6.036 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(CC)cc1 1862663501 SKABUUPBSVKEAU-RUZDIDTESA-N 433.592 6.531 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CCCCC2)c1 1862664148 WTTDGNGDNKMLMY-XMMPIXPASA-N 433.548 5.730 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(OC)cc1 1862674493 YNZNUJXAUOYYIP-HSZRJFAPSA-N 439.527 5.773 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2C)cc1 1862674940 YANAOOZRJNPDSM-DEOSSOPVSA-N 429.491 5.264 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccccc2C)c1 1862698237 DOSPSNCLHCALON-XMMPIXPASA-N 433.548 5.695 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2ccc(F)cc2F)c1 1862700141 BSOMWOBATGOUKK-QHCPKHFHSA-N 449.453 5.060 30 10 IKEE N#Cc1ccc(NC2=C(c3cccc4ccccc34)C(=O)N(CCc3cccs3)C2=O)cc1 1863224748 NUANUVZUQTUGLE-UHFFFAOYSA-N 449.535 5.208 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Cl)c(Cl)c2)=C(c2ccc(OCCC)cc2)C1=O 1863339771 PKAKTHGDVQCZER-UHFFFAOYSA-N 431.319 5.160 30 10 IKEE CCCOc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 1863344778 GPHZUIUWHAECCN-WZONZLPQSA-N 443.547 5.118 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(F)cc2F)C(=O)N(CCC(C)C)C1=O 1863663160 QSVAWGPTHZZJEU-UHFFFAOYSA-N 434.571 5.821 30 10 IKEE CCc1nc(Nc2ccc(C#N)cc2)cc(N2CCC[C@H]2c2nc3ccccc3s2)n1 1868291729 VVDAKKZFZCYOEP-IBGZPJMESA-N 426.549 5.605 30 10 IKEE N#Cc1cccc(Nc2cc(N3CCc4cc5ccccc5nc43)nc(-c3ccccc3)n2)c1 1868354606 HQZLVEPAWYEOMX-UHFFFAOYSA-N 440.510 6.001 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)/C=C/c2ccc(C)cc2)n(-c2ccccc2Cl)n1 1870003823 MBOWJIHUZCLCFV-CCEZHUSRSA-N 433.943 5.059 30 10 IKEE C=CCn1cc(OCc2ccc(C)cc2)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870216914 KXNTUNHFIQLVIM-UHFFFAOYSA-N 445.588 5.406 30 10 IKEE CCCCCCCCCCn1cc(OCCCC)c(=O)cc1CN1C[C@@H](C)C[C@H](C)C1 1870663156 IVACLUDGAZUIBJ-ZEQRLZLVSA-N 432.693 6.646 30 10 IKEE CCCCCCCCn1cc(OCC)c(=O)cc1CNc1ccc(OC(F)(F)F)cc1 1870784307 HFPSWXZXOBPJQG-UHFFFAOYSA-N 440.506 6.118 30 10 IKEE CCCCCCCCCCn1cc(OCCO)c(=O)cc1CNc1ccc(N(C)C)cc1 1870791624 DZMVBARUDYTVRL-UHFFFAOYSA-N 443.632 5.038 30 10 IKEE CCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CNc1ccc(OCC)cc1 1871058596 IUCPVAIRMQETAA-UHFFFAOYSA-N 440.628 6.565 30 10 IKEE C=CCn1cc(OCc2cccc(F)c2)c(=O)cc1CNc1cc(Cl)cc(Cl)c1 1871062681 KVUFECSUCCOEOI-UHFFFAOYSA-N 433.310 5.671 30 10 IKEE CCCCCCCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1Cl 1871313674 DKEKMZDPCWIOLW-UHFFFAOYSA-N 432.999 7.513 30 10 IKEE CCCCC[C@@H](CC)N1COc2ccc3c(c2C1)O/C(=C\c1c(F)cccc1Cl)C3=O 1871347667 ORJMWFMNGPKBOA-GEWRUKCFSA-N 443.946 6.606 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(C)c(C)c4)ccc3C2=O)cc1OC 1871372609 AYEZKYSUWVNGIR-CFRMEGHHSA-N 430.456 5.156 30 10 IKEE CCCOc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2sccc2C)C3=O)c1 1871387718 LKKJYWGNDMIBGF-STZFKDTASA-N 434.513 5.989 30 10 IKEE CCc1ccc(/C=C2\Oc3c(CN4CCCc5ccccc54)c(O)cc(C)c3C2=O)cc1 1871395217 LEDAOZRESLTUBJ-XYGWBWBKSA-N 425.528 5.832 30 10 IKEE Cc1c(OCCOc2ccc(Cl)cc2)ccc2c1O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871413386 ZUYBLQNXRKFQSC-XYGWBWBKSA-N 448.946 6.846 30 10 IKEE CCCC[C@@H](Oc1ccc2c(c1C)O/C(=C\c1ccc(Cl)cc1Cl)C2=O)C(=O)O 1871423103 MNOWQNRWMUKQHZ-HSNFWNHWSA-N 435.303 5.940 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4cccc(Cl)c4C)c3C)C2=O)cc1 1871427420 DCSSRYRJELZHQE-QRVIBDJDSA-N 447.918 5.899 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OCc4cccc5ccccc45)ccc3C2=O)c2ccccc21 1871433863 JUULRJBXSWEPSV-MWLSYYOVSA-N 445.518 7.010 30 10 IKEE CCCCCCCCN=c1nc(N2C[C@H](C)C[C@@H](C)C2)[nH]c(=Nc2cccc(C)c2C)[nH]1 1871590792 LYGNYXLEUQIXDM-WOJBJXKFSA-N 438.664 5.331 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1ccccc1 1871822713 WIMACPWLGRNIMY-XMMPIXPASA-N 442.625 5.403 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C(C)C)cc1)[C@H](C)CC)S(=O)(=O)c1ccccc1 1871851397 NEYCVVRZGSGUGE-HYBUGGRVSA-N 442.625 5.430 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1cc(C)ccc1C 1872244134 ACNLDBCJYSQIEB-HSZRJFAPSA-N 442.625 5.232 30 10 IKEE N#C[C@H](C(=O)/C=C/c1ccccc1Cl)c1nc(-c2ccc(Br)cc2)cs1 1872765716 VNPYWSSROAPWHZ-OJXHRBAXSA-N 443.753 6.116 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc1OC 1872786447 KMGRYNKNIDHQBI-JCOOBLOPSA-N 446.572 6.032 30 10 IKEE N#Cc1ccc(OCc2ccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)cc1 1872874428 GVPPRDQNSZINLJ-UHFFFAOYSA-N 432.523 5.980 30 10 IKEE Cc1nc(SCc2ccc(C(=O)Nc3ccccc3C(C)(C)C)cc2)c(C#N)c(C)c1C 1872895208 HXUYDMSHDJQBJI-UHFFFAOYSA-N 443.616 6.721 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(CCCC)cc2)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873276411 GDZYPEJMDVYOFQ-UHFFFAOYSA-N 436.555 6.074 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(C(C)C)cc2)=C(c2ccccc2)C1=O 1873412964 FQTLIVNUAWNMCX-UHFFFAOYSA-N 446.635 7.143 30 10 IKEE O=c1c(Cl)c(N/N=C/c2c(Cl)cccc2Cl)cnn1-c1ccccc1Cl 1873528555 BTTISOCJNMNMQD-GZIVZEMBSA-N 428.106 5.292 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc2c(NCCCC)ncnc21 1873604243 QKSKNYYLLROTNY-UHFFFAOYSA-N 440.551 5.825 30 10 IKEE C=CCn1c(C(=O)Nc2cc(Cl)ccc2C)cc2c(NCCC3=CCCCC3)ncnc21 1873639309 LIMOCQHZVWZHEE-UHFFFAOYSA-N 449.986 6.134 30 10 IKEE CC(C)(C)C1CCC(CC(=O)Nc2ccc(C#N)cc2)(N2Cc3ccccc3C2=O)CC1 1873866863 HKCPGJKCJIBYCA-UHFFFAOYSA-N 429.564 5.518 30 10 IKEE CCCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1/N=C/c1cccs1 1874196165 VUESBMRSEVPKDO-JJIBRWJFSA-N 442.654 6.033 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1cc(C)ccc1O 1874258283 TVSXWWGALWYDJX-AFUMVMLFSA-N 436.581 5.374 30 10 IKEE CCCCOc1ccc(/C=N/n2c(Cc3cccc4ccccc34)nnc2SC)cc1 1874268304 QOOUYDIGGKRUNK-NLRVBDNBSA-N 430.577 5.805 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2cccs2)c(C)c1 1874327365 KHPFAMLELRGMCZ-ZVHZXABRSA-N 434.590 5.710 30 10 IKEE Cc1ccccc1CSc1nnc(CCOc2ccccc2)n1/N=C/c1cccs1 1874344766 FCQGIUVTYKJQCY-LFVJCYFKSA-N 434.590 5.444 30 10 IKEE Cc1ccc(/C=N/n2c(COCc3ccccc3)nnc2SCc2cccc(F)c2)cc1 1874354196 WLBSDBLRWORQKE-JFLMPSFJSA-N 446.551 5.617 30 10 IKEE CCCSc1nnc(CCc2ccccc2C)n1/N=C/c1cccc(OC)c1OCC 1874363543 KRPOOACYHCFNAI-KOEQRZSOSA-N 438.597 5.163 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccc(F)cc3)n2/N=C/c2cccc(O)c2)c1 1874379844 PMSHIBQVGMMHHQ-JFLMPSFJSA-N 446.551 5.505 30 10 IKEE Cc1cccc(/C=N/n2c(COc3ccccc3)nnc2SCc2cccc(Cl)c2)c1 1874386859 LEONXIJCMSKLNU-CVKSISIWSA-N 448.979 5.993 30 10 IKEE COC(=O)c1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccccc2C)cc1 1874436844 COUIRZXFAUQMQH-MFKUBSTISA-N 436.581 5.136 30 10 IKEE CCCOc1ccccc1/C=N/n1c(CC(C)(C)C)nnc1SCCc1ccccc1 1874439831 VHWYBOMOJJPBDB-LGUFXXKBSA-N 436.625 5.873 30 10 IKEE CCOc1cc(/C=N/n2c(SCc3cccc(C)c3)nnc2-c2ccco2)ccc1O 1874465661 UQQRUTYFTXYIJM-ZVHZXABRSA-N 434.521 5.125 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccco3)n2/N=C/c2ccccn2)cc1Cl 1874468587 OTLIKJGKPGNHST-FOKLQQMPSA-N 430.320 5.414 30 10 IKEE CC(C)(C)c1nnc(SCc2ccccc2F)n1/N=C/c1ccc(C(F)(F)F)cc1 1874481677 IVYAXKUHLHLHQV-RPPGKUMJSA-N 436.478 5.908 30 10 IKEE CCCOc1cccc(/C=N/n2c(CCC)nnc2SCc2ccccc2Cl)c1 1874508186 QHUVNDKIJKBTGB-BUVRLJJBSA-N 428.989 5.847 30 10 IKEE COc1cc(/C=N/n2cnnc2SCc2ccc(Cl)cc2Cl)cc(Cl)c1O 1874540266 KWPHLBRNYXJJTL-QPJQQBGISA-N 443.743 5.127 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2c(OCc3cccc(F)c3)ccc3ccccc23)cc1 1874573765 DJHACNVERLCQLI-ISLYRVAYSA-N 438.542 7.797 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OCc3ccc(C)cc3)c(Br)c2)c1 1874605494 RCKFIXSORCVEMY-ZRDIBKRKSA-N 437.333 6.241 30 10 IKEE C=C(C)COc1c(Br)cc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OCC 1874614116 FOLLHIIUZAUYDH-BJMVGYQFSA-N 435.745 6.352 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(OC)c(OCc2ccc(C)cc2)c(OC)c1 1874619872 WXXXGYQFTNRENQ-VAWYXSNFSA-N 432.516 5.804 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(Cl)c3)cc2)c(OCC)c1 1874632471 ZCDLAIBQGCZEGX-XNTDXEJSSA-N 436.935 6.613 30 10 IKEE COc1cccc(C(=O)/C=C/c2cccc(OC(=O)CC34CC5CC(CC(C5)C3)C4)c2)c1 1874694949 CRTLNKPYKHJQHB-CMDGGOBGSA-N 430.544 6.103 30 10 IKEE COc1cccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(OCC(C)C)cc3)c2)c1 1874695329 VMPDCLDOEPGQBL-XNTDXEJSSA-N 430.500 5.845 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OC(=O)CCc1ccccc1C 1874699514 YUCSLWKQSBKGHO-JLHYYAGUSA-N 434.919 6.091 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2)cc1F 1874706983 JICYYZFGFKQLRF-UXBLZVDNSA-N 435.407 5.166 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3ccccc3)c(OC)c2)cc1 1875105959 UTRXJMSXGQEEKU-DTQAZKPQSA-N 448.946 6.807 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc(F)c2)cc1)c1cccc(Br)c1 1875114700 RDSOEDKXHWWXFC-FMIVXFBMSA-N 425.253 5.704 30 10 IKEE Cc1nc2ccc(C(=O)Oc3ccc(/C=C/C(=O)c4cccc(Cl)c4)cc3)cc2nc1C 1875123340 HNFKPWLFHUZCHY-MDWZMJQESA-N 442.902 6.015 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1)c1ccccc1 1875126884 GCRKBCGFGIINAZ-UXBLZVDNSA-N 442.254 6.017 30 10 IKEE COc1ccccc1CC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccccc2)cc1OC 1875127393 BVQIUCVPFWYCBA-OUKQBFOZSA-N 436.891 5.401 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)c(C)c3)c(Cl)c2)c(C)c1 1875131838 QFFFJCRORIMFDF-DHZHZOJOSA-N 432.947 6.618 30 10 IKEE COCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1OC 1875133848 FQNKOHGIRUEPKP-ZZXKWVIFSA-N 429.683 5.103 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3cccc(C)c3C)c([N+](=O)[O-])c2)cc1 1875135748 GEEDGAOCWVSTKS-UKTHLTGXSA-N 445.471 5.401 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)c1cnc(C)cn1 1875176539 IRMLPFGTNZSZOM-PKNBQFBNSA-N 442.515 5.254 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3Cl)c(Cl)c2)c(C)c1 1875182497 GJEOJJZXCWXWHS-CSKARUKUSA-N 439.338 7.034 30 10 IKEE COc1cc(C=NN(Cc2ccccc2)Cc2ccccc2)ccc1OCc1ccccc1 1923920514 OEMUNOQZWQEXTG-UHFFFAOYSA-N 436.555 6.311 30 10 IKEE CC(C)(C)OC(=O)NCC[C@H]1CC[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C1 1949122439 LGGLRIUYZKNRDK-UZUQRXQVSA-N 449.617 5.462 30 10 IKEE N#Cc1ccccc1[C@@H](CCC(=O)O)CNC(=O)OCC1c2ccccc2-c2ccccc21 1951561865 PMVQLIYBJDENQP-IBGZPJMESA-N 440.499 5.045 30 10 IKEE C#CCN(CC(C)(C)C)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1984725512 JBFFSRXMIQFFLT-VWLOTQADSA-N 446.591 5.058 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C12CCCC2 2017307760 VXTHOWMPBDTGLK-XMMPIXPASA-N 433.593 5.382 30 10 IKEE C#CCCCC[C@@H](NCCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2053263353 DSQPAGHSMKRKEV-SQHAQQRYSA-N 442.644 5.392 30 10 IKEE Cc1ccc([C@@H](n2nc(C3CC3)c(C#N)c2I)C(C)(C)C)cc1C 2079115478 HBEUWVOXKAJZBS-GOSISDBHSA-N 433.337 5.489 30 10 IKEE CC[C@H](c1ccc(C)c(F)c1F)n1nc(C(C)C)c(C#N)c1I 2079875695 XYSPJYNGJWJRIJ-CYBMUJFWSA-N 429.252 5.069 30 10 IKEE CC(C)c1ccc([C@H](n2nc(C3CCC3)c(C=NO)c2Br)C(C)(C)C)cc1 2079943796 HKDKSUJKFBKACM-FQEVSTJZSA-N 432.406 6.480 30 10 IKEE CCCOc1ccc([C@@H](n2nc(C(F)F)c(C=NO)c2Br)C2(C)CC2)cc1 2080088319 OWJYFYGHPUUXOG-MRXNPFEDSA-N 442.304 5.570 30 10 IKEE CC(C)(C)OC(=O)N1CCC(n2nc(C3CCCCC3)c(C#N)c2Br)CC1 2080316004 FHYJKTVNPHRPAG-UHFFFAOYSA-N 437.382 5.137 30 10 IKEE CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)Nc1cc(Br)c(C#N)cc1F 2106040326 UIJYARAQJIPODD-LJQANCHMSA-N 428.346 5.201 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CCC(Nc3ccc(C#N)c(Br)c3F)CC2)C1 2162306091 KHMGWZHYWSICML-UHFFFAOYSA-N 438.341 5.051 30 10 IKEE C=C(Cl)C[C@@H](NCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2221684502 KWNVWJDTJKFNQG-IAGOWNOFSA-N 431.802 5.006 30 10 IKEE C=C(CC)C[C@@H](NCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229110739 TUEIVNSCQWCPPL-RTBURBONSA-N 425.411 5.219 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)cc1C 2229233729 QLSXBKIHAZWLBX-OALUTQOASA-N 425.411 5.658 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)cc1Cl 2230370281 CZZBGMNVMFGZSV-MSOLQXFVSA-N 445.829 6.003 30 10 IKEE C=CCC1([C@@H](NCC)c2c(F)cc(F)cc2Br)CN(C(=O)OC(C)(C)C)C1 2233950313 UPDKDUWAOCOXQE-KRWDZBQOSA-N 445.348 5.191 30 10 IKEE CC#CCCCC[C@@H](NC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237412355 OELAIMWMWVBEFJ-WOJBJXKFSA-N 437.422 5.057 30 10 IKEE C=CCCC1([C@@H](N)c2sc(C)c(C)c2Br)CN(C(=O)OC(C)(C)C)C1 2255003987 OLRAROJTJHTHGM-INIZCTEOSA-N 429.424 5.331 30 10 IKEE C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2255854422 BPNWDJRKGWKBQX-KRWDZBQOSA-N 437.370 5.044 30 10 IKEE CCCN[C@H](CC=CC#CC(C)(C)C)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2256733267 LZPJZFLLDRAXLL-RUZDIDTESA-N 440.672 6.568 30 10 IKEE C=CC[C@@]1(COc2cc(C)c(N)cc2Br)CCCCN1C(=O)OC(C)(C)C 2287705682 IHHXFWDUTWGYIB-NRFANRHFSA-N 439.394 5.454 30 10 IKEE O=C1NC(=Nc2ccc(F)cc2)SC1=Cc1ccc(-c2cc(Cl)ccc2Cl)o1 2293990434 ZMYVRDCEXAIISX-UHFFFAOYSA-N 433.291 6.284 30 10 IKEE CCN[C@@H](C#Cc1cccc(Br)c1)CCN(C(=O)OC(C)(C)C)C(C)(C)C 2296215574 BLELTZQVQZSPQN-IBGZPJMESA-N 437.422 5.204 30 10 IKEE COc1ccc(C=C2Oc3cc(OCc4ccc(C)cc4)ccc3C2=O)c(OC)c1OC 2296844763 DNRUZMBZIWTRPE-UHFFFAOYSA-N 432.472 5.216 30 10 IKEE CCc1ccc(N=C2SC(=Cc3cc(C)ccc3C)C(=O)N2c2ccc(CC)cc2)cc1 2296977156 SRZZRVYDVLHOKV-UHFFFAOYSA-N 440.612 7.237 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@H]2CC[C@H]1C[C@]2(C)NC(=O)OC(C)(C)C 2307591160 LIIQXISRMMBVMQ-JWJNRCNHSA-N 435.609 5.388 30 10 IKEE O=C(O)c1cccc(N=C2SC(=Cc3cccc(Cl)c3)C(=O)N2c2ccccc2)c1 2314547272 FSPIEJIBMLQAQA-UHFFFAOYSA-N 434.904 5.847 30 10 IKEE CC[C@]1(C)N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1C 2315231909 QETOPUMCNKYMFM-LOSJGSFVSA-N 443.588 5.808 30 10 IKEE CCCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1N=Cc1ccccc1Cl 2318582047 NHOWBXKMGLUCKR-UHFFFAOYSA-N 446.960 5.218 30 10 IKEE Fc1ccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C2CC2)c(F)c1 2320892404 UIIDIAUPJBVEMO-UHFFFAOYSA-N 439.318 5.915 30 10 IKEE CCc1nnc(SCc2cccc(F)c2)n1N=Cc1cc(Br)ccc1F 2320974336 UXGGKYRKNVKKES-UHFFFAOYSA-N 437.313 5.056 30 10 IKEE CCCCCOc1ccc(C=Nn2cnnc2SCc2ccccc2C)cc1OCC 2321238991 ICZIJOOEHASGLN-UHFFFAOYSA-N 438.597 5.729 30 10 IKEE CCCCOc1ccc(C=Nn2c(S)nnc2COc2cc(C)c(Cl)c(C)c2)cc1 2322234506 LNUKLLWWBNJABF-UHFFFAOYSA-N 444.988 5.477 30 10 IKEE COc1ccc([C@H](C)N2COc3cc(C)c4c(c3C2)OC(=Cc2cccc(F)c2)C4=O)cc1 2322244757 ZRDQUVJHIVPVBB-KRWDZBQOSA-N 445.490 5.672 30 10 IKEE CC(C)COC(=O)COc1ccc2ccccc2c1C=CC(=O)c1cccc([N+](=O)[O-])c1 2322307996 TXZZACYHLJBTAH-UHFFFAOYSA-N 433.460 5.222 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1cn(C)c4ccccc14)C3=O)CN(C1CCCCC1)CO2 2322328548 RAALCUXRYJHPBU-UHFFFAOYSA-N 428.532 5.588 30 10 IKEE O=C(C=Cc1ccccc1OCc1ccccc1Cl)c1cccc(Br)c1 2322457435 NOXFCQQMZFWKAF-UHFFFAOYSA-N 427.725 6.578 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2cccc(Cl)c2)c1OCc1ccccc1C 2322525027 JVVFVNCUOLRGQG-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccccc2)c1OCC(=O)Nc1ccc(C)cc1 2322545758 LOYYHUKXEYKKRX-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2ccc(C)cc2)cc1 2322557725 KDEDDMGEMDXZBL-UHFFFAOYSA-N 449.934 5.961 30 10 IKEE Cc1cc(OC(=O)c2ccccc2F)cc2c1C(=O)C(=Cc1c(Cl)cccc1Cl)O2 2322799018 WYZQBEUTTPIDLQ-UHFFFAOYSA-N 443.257 6.276 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OCC(=O)Nc1ccc(C)cc1 2323203636 OFKOFXFWAXYVID-UHFFFAOYSA-N 443.543 6.041 30 10 IKEE COc1cc(C(=O)C=Cc2cccc(OCc3ccc(Cl)cc3)c2)c(OC)cc1Cl 2323272112 CUWJJYJISPOHGC-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)c(Br)c1OCCO 2323303224 YKTVJAMLWQJTJN-UHFFFAOYSA-N 447.369 5.331 30 10 IKEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc4ccccc4c3)cc2Cl)o1 2323396514 TWVLDIDUZPEWBD-UHFFFAOYSA-N 446.886 6.348 30 10 IKEE Cc1cc(OC(=O)C=Cc2cccc([N+](=O)[O-])c2)cc2c1C(=O)C(=Cc1cccs1)O2 2323434567 JQQWHRXGTPOHQF-UHFFFAOYSA-N 433.441 5.200 30 10 IKEE Cc1c(OC(=O)c2cc3ccccc3oc2=O)ccc2c1OC(=Cc1ccccc1F)C2=O 2323569421 WFZLJXGARYWDBL-UHFFFAOYSA-N 442.398 5.076 30 10 IKEE CCCCCCCCCOc1ccc(C=Nn2c(CC)nnc2SC)cc1OCC 2323579530 NOVQQYJCPGACAM-UHFFFAOYSA-N 432.634 5.973 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OC(=O)c4ccc(C=CC(=O)O)cc4)c3C)C2=O)c1 2323621315 MYEMFFARGUJBBS-UHFFFAOYSA-N 440.451 5.237 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1Cl)NCc1ccco1 2323766212 NJAMTYOLJWQJFF-UHFFFAOYSA-N 430.287 5.178 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccc(F)cc1 2323840580 UORZUVOMZBUUFG-UHFFFAOYSA-N 446.518 6.437 30 10 IKEE CCn1cc(C=C2Oc3c(CN4CCCCCC4)c(O)cc(C)c3C2=O)c2ccccc21 2324070528 KETBVSBVOHXERF-UHFFFAOYSA-N 430.548 5.667 30 10 IKEE CCN(CCc1ccncc1)Cc1c(O)ccc2c1OC(=Cc1ccc(Cl)cc1)C2=O 2324088237 ADLNJYWEMMSXQN-UHFFFAOYSA-N 434.923 5.121 30 10 IKEE O=C1C(=Cc2cc(Cl)cc3c2OCOC3)Oc2cc(OCCCc3ccccc3)ccc21 2324266005 OCZNNCPAHUHBEY-UHFFFAOYSA-N 448.902 5.834 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1 2324475188 DCKFHKFRROIUIA-INIZCTEOSA-N 447.918 5.925 30 10 IKEE Cc1cccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4cccc(C)c4C)cc(C)c3C2=O)c1 2324505020 UJWSCRHHUXFOJU-HXUWFJFHSA-N 441.527 5.942 30 10 IKEE Cc1ccc(OCCCCOc2cc(C)c3c(c2)OC(=Cc2sccc2C)C3=O)cc1 2324589084 JFFGSDUTPAZJPO-UHFFFAOYSA-N 434.557 6.528 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(C)cc1 2325535272 AQZPPRDMUNTLTA-UHFFFAOYSA-N 433.408 6.410 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(N(CC)CC)cc1 2325544308 MCVMMZHZGPCSQY-UHFFFAOYSA-N 425.577 5.390 30 10 IKEE O=C(C=Cc1cccc(OC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)c1)c1cccc([N+](=O)[O-])c1 2325690405 BDNZRYHIWMHPGW-FCHUYYIVSA-N 447.874 5.853 30 10 IKEE CCc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)cc1 2325722701 IMXBFWYZXLCYFZ-UHFFFAOYSA-N 431.463 5.330 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)OCO4)c2)c1 2325747654 AUOPZOLPIDDPRL-UHFFFAOYSA-N 444.483 5.384 30 10 IKEE O=C(C=Cc1cccc(OC(=O)[C@H]2C[C@H]2c2ccccc2Cl)c1)c1ccc2c(c1)OCO2 2325747691 KGMPLUPAWYBYGV-SFTDATJTSA-N 446.886 5.674 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC)c(OC(=O)c3sccc3C)c2)cc1C 2325770449 JHLHYTPMVATGQN-UHFFFAOYSA-N 436.529 5.806 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)C34CC5CC(CC(C5)C3)C4)c2)cc1C 2325771312 BVKHTTFGVCOPDZ-UHFFFAOYSA-N 444.571 6.330 30 10 IKEE CCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccc(OC)c(Br)c1 2326296137 XUDHNEGYLHZXQQ-UHFFFAOYSA-N 445.386 5.095 30 10 IKEE CCCOc1ccc(C=Nn2c(C)nnc2SCc2ccc(Cl)cc2)cc1Cl 2326350319 ZWOYEGPVCOPOTG-UHFFFAOYSA-N 435.380 5.857 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1c(Cl)ccc(Cl)c1Cl 2326350537 NSBZKGULKCQMAY-UHFFFAOYSA-N 446.190 6.375 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1ccc(C(F)(F)F)cc1 2326681559 ZQYSZGMLCASVJC-UHFFFAOYSA-N 443.498 5.686 30 10 IKEE C=CCSc1nnc(COc2ccc(OCC)cc2)n1N=Cc1c(F)cccc1Cl 2326684268 RYIYGOCBGZLLBT-UHFFFAOYSA-N 446.935 5.209 30 10 IKEE CCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccc(C(C)(C)C)cc1 2327270345 PFIXTAVJBWRTDB-UHFFFAOYSA-N 436.625 6.074 30 10 IKEE CSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1cccc(Br)c1 2328003405 GICITSAZNYQWDS-UHFFFAOYSA-N 435.778 5.083 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccccc3F)n2N=Cc2ccc[nH]2)CC1 2328160970 OQMLAMMUFXWFAG-UHFFFAOYSA-N 439.604 6.384 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2cccnc2)cc1 2328563199 ZIKLJXXVKOHRFY-UHFFFAOYSA-N 443.576 5.146 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2)n1N=Cc1cn(C)c2ccccc12 2328730913 DESVOPSOVWASMD-UHFFFAOYSA-N 445.592 5.332 30 10 IKEE C=CCSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1ccc(N(CC)CC)cc1 2328961774 NYOOAXCMWPGOAU-UHFFFAOYSA-N 447.652 5.687 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)C=Cc3ccc(F)cc3)C2)c1 2329101110 DUCBEENHPHTKJO-XMMPIXPASA-N 449.570 5.098 30 10 IKEE Cc1cccc(C=Nn2c(SCCc3ccccc3)nnc2[C@H](C)c2ccccc2)c1 2330111123 UAIGQNZPZUHJCC-OAQYLSRUSA-N 426.589 5.955 30 10 IKEE Fc1ccc(C=Nn2c(Cc3cccs3)nnc2SCc2ccc(F)cc2)cc1 2330335534 VVRBPWKIKRLGCA-UHFFFAOYSA-N 426.517 5.383 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1ccccc1C 2330700665 XXBANBBJXAPFMH-UHFFFAOYSA-N 440.539 6.388 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1cncc(C)c1 2330705335 FZNWIOPVSUINOJ-UHFFFAOYSA-N 427.500 5.393 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccccc3)c([N+](=O)[O-])c2)cc1 2330749968 RHRNEXWIHVOLAQ-UHFFFAOYSA-N 431.444 5.038 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cccc(OC)c3)cc2OCC)cc1 2330794766 YLRNRWOXXYZRGU-UHFFFAOYSA-N 446.499 5.608 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1cccs1 2330820968 LRWPERPBZAWQCK-UHFFFAOYSA-N 447.339 6.569 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c(C)c2)cc1[N+](=O)[O-] 2330867533 GLVQSIOUZDFCLG-UHFFFAOYSA-N 425.481 5.684 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)c(F)c2)cc1)c1cccc(Br)c1 2330994303 IRLFMVPPMFARLM-UHFFFAOYSA-N 443.243 5.843 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccccc1Cl 2331130131 XRIRMEFVHCKFGY-UHFFFAOYSA-N 441.310 6.507 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)c1cccs1 2331340478 GVHCRRNSDKRFMO-UHFFFAOYSA-N 444.911 6.363 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)c1ccccc1C 2331403666 AFGXJDZVTQXGJB-UHFFFAOYSA-N 444.483 5.280 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(OC)c(F)c2)cc1OCC 2331460716 YRXNTVXSRSMNMG-UHFFFAOYSA-N 434.891 5.878 30 10 IKEE Cc1cc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2)ccc1[N+](=O)[O-] 2331491713 FYXFFVAVXFICTA-UHFFFAOYSA-N 429.472 6.142 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)CCc1ccccc1C 2331510063 TUDJETURPFRYFC-UHFFFAOYSA-N 442.555 6.561 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1OC 2331569553 RSDYELXHLOXBSS-UHFFFAOYSA-N 438.426 5.026 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2C(C)C)cc1OCC 2331687450 MCSXPWNTLMGBBP-UHFFFAOYSA-N 442.560 5.513 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)C3CCCC3)c(OC)c2)cc1Cl 2331815023 WGKTUCSJGIJLIQ-UHFFFAOYSA-N 449.330 6.002 30 10 IKEE Cc1c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)ccc(Cl)c1Cl 2366092585 SEIKFXVISZRNKL-QGZVFWFLSA-N 425.743 6.962 30 10 IKEE CCc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2c(F)cccc2Cl)cc1 20882031 VNOVQJKJMGUNPU-DNOBIOAJSA-N 446.953 7.021 30 10 IKEE Oc1ccc2ccccc2c1/C=N/Nc1nc(SCc2ccc(Cl)c(Cl)c2)n[nH]1 20907005 UHKBGBLHRPJYSC-AUEPDCJTSA-N 444.347 5.709 30 10 IKEE Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(Cl)c2Cl)cc1 21252885 CAGFESZVJRYACO-WGDIFIGCSA-N 449.381 7.281 30 10 IKEE C=CCOc1cccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cccc(C)c2)c1 39876761 AQVZEYVWOQRXTP-XMMPIXPASA-N 441.458 5.555 30 10 IKEE C=CCc1ccccc1OCCCCn1c([C@@H](C)NC(=O)c2ccco2)nc2ccccc21 40196588 OHGQBGJJRHNZON-HXUWFJFHSA-N 443.547 5.708 30 10 IKEE Cc1cc(OCC(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C)C3)ccc1C(C)C 40899389 QLPNFLSUJVLDKO-CQSZACIVSA-N 441.622 5.068 30 10 IKEE CCOC(=O)c1sc(NC(=O)c2sc3ccc(OC)cc3c2Cl)c(C#N)c1C 41007825 KYPWJFWKSDLHNB-UHFFFAOYSA-N 434.926 5.234 30 10 IKEE COc1ccccc1CN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(F)cc1)C3=O 41644458 GNCBSHQVHMDDRH-FMCGGJTJSA-N 431.463 5.111 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc4c3CN(CCc3ccc(F)cc3)CO4)C2=O)cc1 41655946 PKMWOPIRVIVCHB-MYYYXRDXSA-N 445.490 5.235 30 10 IKEE CCn1cc(/C=C2\Oc3c(ccc4c3CN(Cc3ccccn3)CO4)C2=O)c2ccccc21 41662168 RKVJEVBQBPPJCS-MXAYSNPKSA-N 437.499 5.025 30 10 IKEE CCCCCCCCCCCCCCCCCCNC(=S)N[C@H]1C=CS(=O)(=O)C1 59568213 BFVKQLKGRJRYBP-QFIPXVFZSA-N 444.751 6.023 30 10 IKEE Cc1ccc(-c2ccc(/C=C\C(=O)c3ccc(-c4ccc(C)c(Cl)c4)o3)o2)cc1Cl 102956580 SODJNMUBRYUUIM-CLFYSBASSA-N 437.322 8.026 30 10 IKEE CCCCCCCC(=O)N(CC(=O)N(Cc1ccccc1)Cc1sccc1C)C1CC1 102991139 HCPKDCYANODJAE-UHFFFAOYSA-N 440.653 5.937 30 10 IKEE COc1ccc2cccc([C@@H](C3=C(O)CC(C)(C)CC3=O)C3C(=O)CC(C)(C)CC3=O)c2c1 105583153 HFVQALIVJDKLCD-XMMPIXPASA-N 448.559 5.708 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc(C)c(C)c2)=C(O)C(=O)N1c1cccc(F)c1 169940015 ZUIYFSBFUKACSF-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2cccs2)cc1 169985839 HKQJYRHIOAZDNS-FQEVSTJZSA-N 439.920 5.583 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccccc2)c1 170047023 CFJGCQWFEAXEBV-RUZDIDTESA-N 441.527 5.875 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2ccccc2)c(C)c1 170052189 VGLGQHDGBHMWDH-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(Cl)cc1 170059833 DHXSXBHQNXOYIH-QFIPXVFZSA-N 439.939 5.568 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 170074651 WGMOOYDAIQNXKY-XMMPIXPASA-N 449.466 5.138 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1cccc(O)c1)c1cc2ccccc2o1 170081068 ZZDHVLYYAZKGPU-QFIPXVFZSA-N 445.858 5.575 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2sccc2C)cc1C 170106324 TZSDGXRHAKODGG-OAQYLSRUSA-N 447.512 5.185 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2OC)cc1 170122494 KVCPZYVFZGHRSA-DEOSSOPVSA-N 443.499 5.267 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccc(C)c2)c1 170142701 NIDBBJLORPLJNN-VWLOTQADSA-N 441.527 5.875 30 10 IKEE Cc1ccc(-c2csc(C3=C(N)N(c4ccc(OCC(C)C)cc4)CC3=O)n2)cc1C 170180347 SMAVTWOSQLPKDY-UHFFFAOYSA-N 433.577 5.178 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1cccnc1 170185782 YPMIZYBLZDUJLC-OAQYLSRUSA-N 448.906 5.143 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2O)[C@@H]1c1ccccc1 170227627 OWLUKNYUWVJMRN-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C2CCCC2)cc1 170246163 DOLVMFNNSUDQLT-AREMUKBSSA-N 443.587 6.210 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccc(O)c2)cc1 170259246 BLPCALNYTFPCGI-DEOSSOPVSA-N 443.499 5.210 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cccc(O)c1 170261934 NFKWVQKZIDHBBP-DEOSSOPVSA-N 447.575 5.909 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3c(OC)cccc3OC)=C(O)C(=O)N2c2ccccc2)cc1 170265541 DJUFQOKBAAZTEB-DEOSSOPVSA-N 443.499 5.049 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1C 170277415 VDSNCVQQZVADNX-HXUWFJFHSA-N 432.347 6.070 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(C)o2)cc1Cl 170298034 UMIPUGHLVMAGBA-LJQANCHMSA-N 443.908 5.090 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(C)o2)cc1C(C)(C)C 170310770 ZEPWCVOQXYBAHT-JOCHJYFZSA-N 437.536 5.415 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccco2)=C(O)C(=O)N1c1ccc(OCC(C)C)cc1 170397061 XGVDEFGOQIVEPQ-QHCPKHFHSA-N 431.488 5.406 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2c(C)[nH]c3ccccc23)cc1 170403844 RNQGHOVPDQXQPH-XMMPIXPASA-N 438.483 5.268 30 10 IKEE CCOc1cc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2cccc(Cl)c2)ccc1OC 170440803 ZQDPPZHBSBDTME-QFIPXVFZSA-N 443.927 5.263 30 10 IKEE CC(=O)C1=C(OB(F)F)C=C(/C=C/c2cccc(Cl)c2)C[C@H]1c1ccc(Cl)cc1 195815633 KVTGWTNRUPEWOV-XJDXJNMNSA-N 433.090 6.904 30 10 IKEE COc1cc(C=NOCc2cccc3ccccc23)ccc1OCc1ccc(Cl)cc1 254556941 XLQYPAYTHNDUKF-UHFFFAOYSA-N 431.919 6.632 30 10 IKEE CN(C)c1ccc(/C=C2\SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc1[N+](=O)[O-] 254836781 NQVOCPLHSSXKQA-HNYZTYFESA-N 444.516 5.469 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(C)cc2)cc1OC 526487102 VAPKCMBLLWRWNC-RUZDIDTESA-N 440.499 5.331 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1c(C)n(C)c2ccccc12 526811949 VVAWEEXUQVLRID-YUMHPJSZSA-N 445.636 6.212 30 10 IKEE CC(C)(C)c1ccc(N(CCCC#N)S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 586240840 HVFRNIGHBOKUMQ-UHFFFAOYSA-N 425.381 5.790 30 10 IKEE Cc1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(C(C)(C)C)cc2)c(F)c1 586253520 HLGPWXSWLRJSEY-UHFFFAOYSA-N 436.552 5.699 30 10 IKEE CCc1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 586253828 XRRBEXZQTSGQDS-UHFFFAOYSA-N 432.589 5.814 30 10 IKEE CCCCCCC[C@@H](O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 686845569 YCEGCWIOTZGKHD-HSZRJFAPSA-N 432.649 5.657 30 10 IKEE CCCCCCCC[C@H](NC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 693661547 PDJVRJJSPGUNQF-DEOSSOPVSA-N 445.692 5.885 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@H](CNC(=O)OC(C)(C)C)C(C)C 698420517 VBMJFULHKAIDFI-QUCCMNQESA-N 431.577 5.426 30 10 IKEE CSCC1CCC(C#N)(N(C(=O)OC(C)(C)C)c2cccc(Br)c2)CC1 698468080 GPYZWHPWEMPNJM-UHFFFAOYSA-N 439.419 6.006 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)CN(C(=O)OC(C)(C)C)C(C)(C)C 698485760 NJGJDAPVKHNKEQ-QGZVFWFLSA-N 447.576 5.364 30 10 IKEE COc1ccc(Br)cc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 698885605 ASWTUVYCLOLPLL-KRWDZBQOSA-N 435.293 5.603 30 10 IKEE CC1(C)OB(CCC[C@H](N)c2c(F)cc(C(F)(F)F)cc2C(F)(F)F)OC1(C)C 725274648 QLEHMSAFYFUZCQ-ZDUSSCGKSA-N 429.185 5.736 30 10 IKEE Clc1ccccc1CSc1n[nH]c(NN=Cc2ccccc2OCc2ccccc2)n1 1084175241 KLZBNGQKHIENKB-UHFFFAOYSA-N 449.967 5.775 30 10 IKEE CCCC[C@@H](CC)OC(=O)CSc1n[nH]c(NN=Cc2ccc(Cl)cc2Cl)n1 1084522562 KTMBWSMEZGULQS-CQSZACIVSA-N 444.388 5.162 30 10 IKEE O=C1/C(=C\c2cccc3ccccc23)SC(=Nc2cccnc2Cl)N1C1CCCCC1 1772733572 NVMIRHWBFVMQRT-WOIBEVDJSA-N 447.991 6.825 30 10 IKEE Cc1cccc(N=C2S/C(=C\c3c(Cl)cccc3Cl)C(=O)N2C2CCCCC2)n1 1772736635 MDGHMVKUSSSMFN-VZKFJVGXSA-N 446.403 6.634 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=Nc1nccs1 1772737107 NKHBHPQXSRZRKY-TWGBNTOESA-N 436.345 5.944 30 10 IKEE CC(C)(C)c1csc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3F)C2)c1C#N 1860666064 JEGRWCWGJRQZLX-ZDUSSCGKSA-N 447.963 5.201 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)COc1ccc(Cl)c(C)c1 1861639145 LONZQPVXMCRZMI-OAQYLSRUSA-N 425.013 5.179 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(OCC)cc1 1862384615 WJIWGXCQOAWWAD-LJQANCHMSA-N 434.319 5.380 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(N(C)C)cc1 1862415261 STPUWAGGYVOSIB-QFIPXVFZSA-N 442.506 5.189 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(F)cc1 1862430179 DWRUWBYHVYEFQF-YFZFPPMRSA-N 427.903 5.636 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(C(C)(C)C)cc1 1862435070 NOLKXMPFPIFOOX-NRFANRHFSA-N 425.956 5.872 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(Cl)cc1Cl 1862443662 NWMUBZNJDPJNLH-GOSISDBHSA-N 438.738 5.881 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862449541 NNJBDEAIKHITIU-QFIPXVFZSA-N 439.983 6.262 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1c(F)cccc1Cl 1862450087 ZJHABULCFMZWOO-LJQANCHMSA-N 436.310 5.757 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(Br)cc1 1862453442 ZXURLYWOFURZGA-GOSISDBHSA-N 448.744 5.337 30 10 IKEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc(C)c2)cc1 1862475508 NNSDWFUFLCHPOJ-RUZDIDTESA-N 441.527 5.133 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2cccc3ccccc23)c1 1862495403 YHVAXPIMUNBPKB-SANMLTNESA-N 448.522 5.630 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2cccc(Cl)c2)cc1 1862535769 KGFCIEGSTXJSDE-QFIPXVFZSA-N 441.955 5.296 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc2c(c1)CCCN2C 1862539631 ZRSRVTZGBKXNMN-VWLOTQADSA-N 446.591 5.400 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1c(Cl)cccc1Cl 1862597551 KVWSLQKOVJINCH-IBGZPJMESA-N 434.319 5.323 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccc1C(=O)O 1862651005 IYLIHADDOLIXKO-QHCPKHFHSA-N 443.499 5.307 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(Br)cc1 1862657026 SNEBSSWVQOSKEG-NRFANRHFSA-N 448.316 5.367 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccc(Br)cc2)cc1 1862670472 UYORJBIBESYOIE-FQEVSTJZSA-N 440.337 5.313 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(OCC)cc1 1862694781 RVIRVAMERIPJQZ-QHCPKHFHSA-N 437.536 5.253 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1c(Cl)cccc1Cl 1862716678 LOQHWFIPGUDUET-NRFANRHFSA-N 440.326 6.133 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862758951 IIEXHZURIOYGAD-VOJFVSQTSA-N 449.290 5.278 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1C 1862870265 GGIWSCDNQWZJIY-UHFFFAOYSA-N 441.918 5.534 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3c[nH]c4ccccc34)C2=O)c(C)c1 1863129069 UYDIABFTDLOJGB-UHFFFAOYSA-N 432.483 5.053 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H](C)c2ccc(CC)cc2)=C(c2ccc(C)cc2)C1=O 1863621770 VNNOAEUUWCITIE-JOCHJYFZSA-N 446.635 6.349 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC[C@H]2CCCO2)=C(c2ccccc2Cl)C1=O 1863777529 GQIASTVQOSZEKO-LJQANCHMSA-N 447.019 5.329 30 10 IKEE CCCc1nc(Nc2ccccc2C#N)cc(N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)n1 1868397616 DHNGQGMDJSNTQD-DEOSSOPVSA-N 439.607 6.683 30 10 IKEE Cc1cc(-n2nnc(C#N)c2NC(=O)CCCOc2ccc3ccccc3c2)ccc1Cl 1870145202 WTMQKYTYCZHFQQ-UHFFFAOYSA-N 445.910 5.052 30 10 IKEE CCOc1ccc(/C=C(/C(=O)Nc2c(C#N)nnn2-c2ccc(C)cc2)c2ccccc2)cc1 1870148746 BKCXMBFLONKIML-JJIBRWJFSA-N 449.514 5.025 30 10 IKEE CCCCCCCOc1cn(CCC(C)C)c(CNc2cccc([N+](=O)[O-])c2)cc1=O 1870833830 VSHRXRVNLDWXKR-UHFFFAOYSA-N 429.561 5.764 30 10 IKEE CCCCCCCOc1cn(Cc2ccncc2)c(CNc2ccc3c[nH]nc3c2)cc1=O 1870836522 ZBBGFJYNVFZWFD-UHFFFAOYSA-N 445.567 5.129 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)cc2Cl)c(=O)cc1CNc1cccc(C)c1 1871249481 UKQRRDQXEHTWKW-UHFFFAOYSA-N 429.347 5.841 30 10 IKEE Cc1cc(OC(=O)c2cccc([N+](=O)[O-])c2C)cc2c1C(=O)/C(=C/c1cccc(F)c1)O2 1871372481 UGBVOMQUSJEEHK-NHDPSOOVSA-N 433.391 5.186 30 10 IKEE Cc1c(OC(=O)Cc2cccc3ccccc23)ccc2c1O/C(=C\c1cccc(F)c1)C2=O 1871376342 GJMKRJDSFZEJIY-MYYYXRDXSA-N 438.454 6.052 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)cc(C)c3C2=O)cc1 1871387838 CFEGHLURBYBENW-OYKKKHCWSA-N 428.484 5.926 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(O)c3CN(Cc3ccccc3)C(C)C)C2=O)c1 1871394018 YUPKVLIAWMPCLL-MYYYXRDXSA-N 429.516 5.428 30 10 IKEE CCCCCCOc1ccc2c(c1C)O/C(=C\c1cn(CC)c3ccc(OC)cc13)C2=O 1871399848 XNGXMBUGCVGKKU-MYYYXRDXSA-N 433.548 6.554 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3cc(OCC(=O)N[C@@H](C)c4ccccc4)ccc3C2=O)cc1 1871424620 PNKASDSLBVVDEP-PKFJFBDISA-N 441.527 5.682 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccncc2)C3=O)cc1 1871450115 BSQYGTDESMZOBZ-WMWHPZEKSA-N 442.515 5.537 30 10 IKEE COc1cc(OC)c(OC)cc1/C=C1\Oc2c(ccc(OCc3cccc(C)c3)c2C)C1=O 1871455733 XVMYKPHKSJCLQQ-MXAYSNPKSA-N 446.499 5.524 30 10 IKEE CCCCCCCCN=c1nc(N2CCC[C@H](C)C2)[nH]c(=Nc2cc(Cl)ccc2C)[nH]1 1871514456 USBDJAGWLAQKSX-SFHVURJKSA-N 445.055 5.430 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)c(C)c1)[C@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1871912413 VMXCZNHHDPBXIX-HXOBKFHXSA-N 446.588 5.063 30 10 IKEE CCOc1ccc(CCC(=O)[C@H](C#N)c2nc(-c3cccc(Cl)c3)cs2)cc1OC 1872766870 PYMUKKXGKBVXPQ-SFHVURJKSA-N 440.952 5.680 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)Cc2ccc(Cl)cc2)n1 1872776962 CBFNQLFRYOJJBU-LJQANCHMSA-N 438.980 6.189 30 10 IKEE COc1cc(OC)cc(C(=O)[C@@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)c1 1872787657 OUTQCNZXFQMLRU-MRXNPFEDSA-N 433.316 5.624 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(C)cc2)C(=O)N([C@H]2CCCC[C@@H]2C)C1=O 1873143321 IGYKXJZIEWHDHI-UPVQGACJSA-N 438.656 6.384 30 10 IKEE CCCCCCCCNC1=C(c2ccc(F)c(C)c2)C(=O)N([C@H]2CCCC[C@@H]2C)C1=O 1873152972 OYPOADIHTGUCFP-AVRDEDQJSA-N 428.592 5.743 30 10 IKEE C=CCNC(=O)c1cc2c(N(CCCC)CCCCCC)ncnc2n1Cc1ccccc1 1873583049 JYGBBXRQWCBHCU-UHFFFAOYSA-N 447.627 5.582 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(N3CCCCC3)cc2)cc2c(N(C)CCCC)ncnc21 1873665348 LAZWQEILLYURJO-UHFFFAOYSA-N 446.599 5.096 30 10 IKEE N#Cc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(Cc3ccccc3)C23CCCC3)cc1 1873864560 PCHYTSBVLJOKLC-RUZDIDTESA-N 435.527 5.249 30 10 IKEE C=C(C)CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccc(F)cc1 1874217852 XKWUAXHWPAMXHF-OPEKNORGSA-N 444.963 5.817 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874264752 NMNCBPIKTQNKTN-MFKUBSTISA-N 441.000 5.968 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2cccs2)cc1 1874303892 WVARUCQBTJLBOH-LFVJCYFKSA-N 434.590 5.504 30 10 IKEE CCOc1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SCc2ccccc2)cc1 1874375720 KGQXIVZVBNGUOO-WPWMEQJKSA-N 446.551 5.581 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(F)cc3)n2/N=C/c2ccccc2F)cc1 1874379104 AZIZLIUCZQPYBG-JFLMPSFJSA-N 434.515 5.630 30 10 IKEE COc1ccc(OC)c(/C=N/n2c(SCc3ccccc3F)nnc2-c2ccccc2)c1 1874428342 DYWDEUNVWVYQEM-CVKSISIWSA-N 448.523 5.276 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2-c2ccccc2)cc1 1874430423 HAEIXRUJIFHUEO-JVWAILMASA-N 447.007 6.896 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(CC(C)(C)C)nnc1SCc1cccc(F)c1 1874439076 IMFHXHWREASLPT-CVKSISIWSA-N 440.588 5.968 30 10 IKEE Cc1ccc(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2ccc(C(F)(F)F)cc2)cc1 1874441807 JPFHIYMBECYTSK-JMJNUIHMSA-N 446.498 5.631 30 10 IKEE CCOc1cc(/C=N/n2c(SC)nnc2-c2ccco2)ccc1OCc1ccccc1C 1874463946 JSBIJSBWEBQLKB-MFKUBSTISA-N 448.548 5.428 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1ccc(N(CC)CC)cc1 1874478468 BJITXDKYLRVYST-OVVQPSECSA-N 449.668 6.258 30 10 IKEE CCOc1c(/C=N/n2c(SCc3cccc(C)c3)nnc2C(C)(C)C)cccc1OC 1874483960 WSBOLNVYMRZHLT-MFKUBSTISA-N 438.597 5.466 30 10 IKEE COc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2c(Cl)cccc2Cl)cc1 1874490516 VCDXDVKGIDDCOH-WYMPLXKRSA-N 449.407 5.967 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(CC)n1/N=C/c1ccc(C(C)(C)C)cc1 1874522095 BDCFDXFAHMUEDD-WGOQTCKBSA-N 449.624 5.313 30 10 IKEE CCCCOc1ccc(/C=N/n2cnnc2SCc2cccc(F)c2)cc1OCC 1874537971 HOYSXZIPNUPCCL-AFUMVMLFSA-N 428.533 5.169 30 10 IKEE CC(C)(C)c1nnc(S)n1/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 1874559264 HJOVFPLHDSDAET-FOKLQQMPSA-N 435.380 5.632 30 10 IKEE Sc1nnc(-c2ccco2)n1/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1 1874559739 LCRCTNGTCJWNSQ-FOKLQQMPSA-N 445.331 5.595 30 10 IKEE Cc1cccc(COc2ccc3ccccc3c2/C=C/C(=O)c2ccc3c(c2)CCCC3)c1 1874571684 AAICPLDMHPNEOX-WUKNDPDISA-N 432.563 7.502 30 10 IKEE C=C(C)COc1c(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)cc1OC 1874575470 OSTQKLGTTRTBNM-RMKNXTFCSA-N 432.270 5.217 30 10 IKEE CCc1ccc(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc(OC)cc2OC)cc1 1874587991 OPRKEXYGKFUHBY-LFIBNONCSA-N 445.515 5.180 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OC)c1OCc1cccc(Cl)c1 1874592671 WHAYOGOSCGKYFH-PKNBQFBNSA-N 443.326 6.486 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OCC(=O)Nc2ccc(C)cc2C)c1 1874597044 QXTIBILQFMWMPH-ZRDIBKRKSA-N 429.516 5.534 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OCC(=O)N[C@@H](C)c2ccccc2)c1 1874600969 LYJOIJVYAHKQIK-YLZCUGDYSA-N 449.934 5.501 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1ccc(C)cc1 1874602233 ATZJNQBDOWPELQ-BUHFOSPRSA-N 443.499 6.115 30 10 IKEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2ccc(OCCC)c(OCCC)c2)cc1 1874612837 OIKCZFAEHQYGHQ-UKTHLTGXSA-N 440.536 5.492 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCc3nc(O)c4ccccc4n3)cc2)cc1 1874616870 XSDATKDEOYLWPO-CXUHLZMHSA-N 440.499 5.599 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OCCc1ccccc1 1874635256 KQENESIHOILVHR-VAWYXSNFSA-N 448.990 7.182 30 10 IKEE C=C(C)COc1c(Cl)cc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1OC 1874635904 ZDBXALCDZYZIJF-AATRIKPKSA-N 441.738 6.515 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OCC(=O)OCC(C)C)c(Cl)c1 1874639222 OQVMPLLZFZFJCS-QPJJXVBHSA-N 437.319 5.476 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cc4ccccc4n3C)c2)cc1 1874701395 QOETXGMCLFMBFH-LFIBNONCSA-N 425.484 5.692 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccc(C)cc3)c2)cc1F 1874707426 FFUFLBSXGUMSEH-DHZHZOJOSA-N 434.463 5.196 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 1874710091 SMCAJHKCBZGWPD-GIJQJNRQSA-N 426.556 7.223 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc(F)cc3)c2)cc1Cl 1874713756 MPXWVBXOIITACQ-IZZDOVSWSA-N 440.854 5.612 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](C(C)(C)C)CSc2nnc([C@@H](C)c3ccccc3)n21 1874980965 AMIWDTDQKYDNTA-PZJWPPBQSA-N 442.673 6.166 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1Cl)c1ccc(Cl)cc1 1875113469 JBQVCZNPUZJUJU-VZUCSPMQSA-N 431.702 6.762 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl 1875116548 HDLWUKVAETYDAV-AWNIVKPZSA-N 435.863 5.683 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)c1cccc(OC)c1 1875119957 VHCLKOMGWXUTBL-WYMLVPIESA-N 432.472 5.218 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1cnccn1 1875132978 XWSOWILDSXZBKA-XVNBXDOJSA-N 443.286 5.297 30 10 IKEE COc1ccccc1C(=O)Oc1c(OC)cc(/C=C/C(=O)c2ccc(C)cc2)cc1OC 1875133099 FCCXBCKOARRVTR-SDNWHVSQSA-N 432.472 5.136 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1ccc(OC)cc1 1875157092 SLKLKALAALWTCE-OMCISZLKSA-N 444.527 6.333 30 10 IKEE Cc1cc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(F)c3)cc2Cl)ccc1F 1875161652 AKSFPKNIWWEYJN-FPYGCLRLSA-N 444.836 6.110 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc(Cl)c1OC(=O)C(C)(C)C 1875171122 HRWGPQADIYEDTM-MDZDMXLPSA-N 444.955 6.212 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@]1(C#N)C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21 1880350140 JNRVZOJJFKPSKB-LUFNOOMBSA-N 432.564 5.701 30 10 IKEE C=C(Br)CNCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1888692496 YQFMPMVWTOWIAC-UHFFFAOYSA-N 438.365 5.843 30 10 IKEE C[C@@H](c1cccs1)N(Cc1ccccc1)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 1915408297 UCLVWRKXOBJYHV-FQEVSTJZSA-N 433.426 5.811 30 10 IKEE CC1(C)CC[C@H](Nc2ccc(C#N)c(Br)c2)[C@@H](CNC(=O)OC(C)(C)C)C1 1927067679 FAFZXYYDARKHOX-QAPCUYQASA-N 436.394 5.452 30 10 IKEE CC(C)(C)OC(=O)N(C1CC1)[C@@H](C#N)c1c(Br)cccc1Br 1931397575 IYJYHHCHGZDULB-ZDUSSCGKSA-N 430.140 5.176 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@](C#N)(N(C(=O)OC(C)(C)C)C1CCC1)C2 1949537737 JFIDRUBHRIWBIO-DEOSSOPVSA-N 433.593 5.240 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCCN(C(=O)OC(C)(C)C)C1 2005383637 XQOJBBKBHVCBOV-XMMPIXPASA-N 429.561 5.420 30 10 IKEE Cc1cc([C@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)sc1Br 2023677498 CMPJMXLTDUIARA-ZDUSSCGKSA-N 427.389 5.883 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CCC2(CCC2)N1C(=O)OC(C)(C)C 2025391484 QTSMELYKAWBXTG-GOTSBHOMSA-N 428.617 5.450 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@@]1(C#N)CCN(Cc2ccccc2)CC1(C)C 2037432388 OZTXGMQVCAMAND-AREMUKBSSA-N 437.559 5.762 30 10 IKEE CCCCCCCCC[C@@H](N)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2041896498 KETYMPCCUKQDJG-SQHAQQRYSA-N 446.676 6.298 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1CC[C@@](F)(CNC(=O)OC(C)(C)C)CC1 2058303087 VUKTWLWAWDSZRN-JQYIIUTOSA-N 448.623 5.551 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C2(CC2)C1 2065973338 MZYYTLKOEUWOPW-VWLOTQADSA-N 447.620 5.630 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCN(C(=O)OC(C)(C)C)C1(C)C 2068176812 ZBAOPFUSOICGSP-VWLOTQADSA-N 443.588 5.808 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CC[C@H](CC)CC1 2073935974 CJLSZTQIOZXTJI-LSCGWGKXSA-N 444.660 5.991 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@@H](C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2077946969 BRQXGDWGCVIUHC-MOPGFXCFSA-N 447.551 5.495 30 10 IKEE CC[C@H](c1ccc(C2CC2)cc1)n1nc(C(C)(C)C)c(C#N)c1I 2079061540 YESJJXHMDCSWIT-QGZVFWFLSA-N 433.337 5.534 30 10 IKEE CCCc1ccc([C@@H](n2nc(C3CCC3)c(C=NO)c2Br)C2(C)CC2)cc1 2079856403 RMXBOVPIDYBXJC-HXUWFJFHSA-N 430.390 6.063 30 10 IKEE Cc1nn([C@@H](c2ccc(C(C)C)cc2)C2(C)CC2)c(I)c1C=NO 2079883738 DSSAHNSRCAZUQP-KRWDZBQOSA-N 437.325 5.117 30 10 IKEE CC(C)c1ccc([C@@H](n2nc(C(F)(F)F)c(C#N)c2Br)C2(C)CC2)cc1 2079980756 IXKBGYWKLDZONF-MRXNPFEDSA-N 426.280 6.049 30 10 IKEE CC1([C@H](c2ccc(C3CCC3)cc2)n2nc(C(F)(F)F)c(C#N)c2Br)CC1 2079982749 AXYFMYWWYSZYQS-KRWDZBQOSA-N 438.291 6.193 30 10 IKEE CCCN[C@@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)c1ccccc1 2095877922 RSGAVGZEGOBDAA-LJAQVGFWSA-N 440.635 5.039 30 10 IKEE C=CCN(CC[C@H](Cc1cccc(Br)c1C)NCC)C(=O)OC(C)(C)C 2099291768 BIYUGJCIXILHPB-GOSISDBHSA-N 425.411 5.091 30 10 IKEE CCN[C@@]1(C#N)C[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)CC2(CCC2)C1 2127160317 ZRDTYQCUXRFNQF-YTMVLYRLSA-N 444.667 5.215 30 10 IKEE C=CCN(CC[C@H](NCCC)c1cc(Cl)cc(Br)c1)C(=O)OC(C)(C)C 2136670990 WGPFTRUHJZUXKS-SFHVURJKSA-N 445.829 5.956 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc(OCCNc2ccc(C#N)c(Br)c2)c1 2162418599 TZRVFKBZANGPJM-UHFFFAOYSA-N 432.318 5.159 30 10 IKEE CCCN(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1cc(Br)cc(C#N)c1 2174811756 BXJOLTKWELSSCU-SFHVURJKSA-N 436.394 5.327 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)[C@H]1C[C@@H]1C1CCOCC1 2200290301 CINLWTSECSKIBF-JTDSTZFVSA-N 435.362 5.145 30 10 IKEE C=C(Cl)C[C@@H](NCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2221692278 ZEMBMRYMFIUXFU-SJORKVTESA-N 431.802 5.006 30 10 IKEE C=CCCC[C@@H](NCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229121774 BRRBYQKJSXMIOX-RTBURBONSA-N 425.411 5.219 30 10 IKEE C=C1C[C@@H]1C[C@H](NCCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237401896 CXJHJVBVRNMJIA-HOJAQTOUSA-N 437.422 5.219 30 10 IKEE CC1(C)CC=C(C(=O)[C@H](Cc2cccc(Br)c2)NC(=O)OC(C)(C)C)CC1 2237408896 KJCIUEDKFBOVGJ-SFHVURJKSA-N 436.390 5.591 30 10 IKEE CC1(C)CC=C(C(=O)[C@H](Cc2ccccc2Br)NC(=O)OC(C)(C)C)CC1 2237426184 CSGLRGXYMOSUIY-SFHVURJKSA-N 436.390 5.591 30 10 IKEE CC1(C)OB(c2csc(C(=O)Nc3c(Cl)cccc3Cl)c2Cl)OC1(C)C 2281945936 IUTUWQGGIOUSSL-UHFFFAOYSA-N 432.565 5.260 30 10 IKEE CC1(C)CCC(C)(C)[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)C1 2290249277 UXHFKSXHXMXIEY-QFIPXVFZSA-N 435.406 6.689 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(F)c([C@@H](N)C#Cc2cccc(Br)c2)c1F 2296283482 HIPZRWZVSBGSPV-HNNXBMFYSA-N 437.284 5.126 30 10 IKEE O=C1SC(c2cc(I)ccc2Cl)=NC1=Cc1cccs1 2296736731 QBBPKFLNJQFYRK-UHFFFAOYSA-N 431.707 5.067 30 10 IKEE COc1ccc(C=CC(=O)c2cccs2)cc1COc1ccccc1Cc1ccccc1 2297113940 JAVKPTJWVRWIQX-UHFFFAOYSA-N 440.564 6.823 30 10 IKEE O=c1c2ccccc2nc(-c2ccc(Br)cc2)n1N=CC=Cc1ccccc1 2297532542 VCBAMZWQGHSMAX-UHFFFAOYSA-N 430.305 5.373 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2304187882 VJBAGNNIVYZEKY-RBUKOAKNSA-N 427.545 5.110 30 10 IKEE Cc1ccc(-c2nn(-c3ccccc3)cc2C=C2Oc3ccc(Cl)cc3C2=O)cc1F 2314519639 WIHVXGXFAJSYFJ-UHFFFAOYSA-N 430.866 6.256 30 10 IKEE CC(=C1SC(=Nc2cccc(C(=O)O)c2)N(C2CCCCC2)C1=O)c1cccc(N)c1 2314547508 JNFVDBVYGYFIPO-UHFFFAOYSA-N 435.549 5.294 30 10 IKEE CCCN[C@H](C#CCSC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2314640130 VNUCWRSKTJRUOJ-MRXNPFEDSA-N 427.408 5.203 30 10 IKEE O=C1C(=CC=Cc2ccccc2)SC(=NN=Cc2ccccc2F)N1Cc1ccco1 2314841096 MURVIJRDRSWUBC-UHFFFAOYSA-N 431.492 5.482 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)O3)CN(C1CCCCCC1)CO2 2322079816 XGKHCJXBPMURCM-UHFFFAOYSA-N 434.492 5.394 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc4c3CN(CCCCc3ccccc3)CO4)C2=O)cc1 2322249304 COKCIXWNCAMWMD-UHFFFAOYSA-N 425.528 5.786 30 10 IKEE O=C(C=Cc1ccccc1OCc1ccc(Cl)cc1Cl)c1cccc2ccccc12 2322711988 NPPFFUWXDPUHOW-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE Cc1ccc(COc2ccc3ccccc3c2C=CC(=O)c2cccc3ccccc23)cc1 2322722483 NDXDIRJEFAMARO-UHFFFAOYSA-N 428.531 7.777 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2C)C1=O 2323149380 QNDMKVUAGLIPKB-UHFFFAOYSA-N 445.427 5.137 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OCc1ccccc1Cl 2323866049 LEKNLBPSTRUZEU-UHFFFAOYSA-N 446.974 7.169 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Cl)c1OCc1ccc(C)cc1 2323978904 LVOCIDMGEGOEKR-UHFFFAOYSA-N 438.926 6.970 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OCc1cccc2ccccc12 2324175930 UXTOMFJEUUYPJF-UHFFFAOYSA-N 446.905 7.116 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)c1 2324455778 WSWGAGMNEOYBML-FQEVSTJZSA-N 439.511 5.882 30 10 IKEE CCCNC(=O)COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1[N+](=O)[O-] 2324574739 CIRWGHNLWIETKD-UHFFFAOYSA-N 438.524 5.002 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCc4ccc(C(=O)OC(C)C)o4)cc(C)c3C2=O)cc1 2325388120 YECSYWOMQYQIIO-UHFFFAOYSA-N 446.499 5.911 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OCCc4ccc(OC)cc4)ccc3C2=O)cc1 2325631628 OINCMZVVRBYQSO-UHFFFAOYSA-N 443.543 5.779 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(OC(=O)CC(C)C)c(OC)cc2Br)c1 2325706995 KGHMMDLRIMXYCP-UHFFFAOYSA-N 447.325 5.314 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)[C@H](C)c3ccccc3)c2)cc1C(C)C 2325754130 IMGNKLVBEHPBQS-OAQYLSRUSA-N 442.555 6.732 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2cccc(OC(=O)c3ccc(CC)cc3)c2)c1 2325758439 ZZDDXAIXEWKKND-UHFFFAOYSA-N 444.527 6.162 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OC(=O)CCOc1ccccc1 2325764366 YTKNTPTZMWFUPW-UHFFFAOYSA-N 444.527 5.891 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OC(=O)COCc1ccccc1 2325764409 MUIPPQQNXCPMCA-UHFFFAOYSA-N 444.527 5.639 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)Cc3cccc4ccccc34)c2)c(C)c1 2325764605 FCRRIULWQIPMRT-UHFFFAOYSA-N 434.535 6.809 30 10 IKEE CCCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1ccccc1F 2325905795 OMAXXZCGFIIDHB-UHFFFAOYSA-N 440.588 5.986 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2)n1N=Cc1c[nH]c2ccccc12 2328730909 AWPWCAQZDMFETN-UHFFFAOYSA-N 431.565 5.321 30 10 IKEE CCSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2328941395 DIHALAZJALLTDK-UHFFFAOYSA-N 443.960 5.236 30 10 IKEE C=CCSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1ccc(Br)cc1 2329436437 WIQKWOCIUHBJMX-UHFFFAOYSA-N 441.398 5.409 30 10 IKEE CCCSc1nnc(CCc2ccccc2C)n1N=Cc1ccc(N(CC)CC)cc1 2329500507 OJFLQQZXJDXDBG-UHFFFAOYSA-N 435.641 5.602 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCc3ccccc3C)nnc2-c2ccccc2Cl)c1 2329539323 YUJUXMCCLHLCNU-UHFFFAOYSA-N 448.979 6.095 30 10 IKEE Cc1cccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2[C@H](C)c2ccccc2)c1 2330108856 FDUXERROVLQLLL-JOCHJYFZSA-N 440.616 6.530 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)cc(Cl)c1OC(=O)c1cccnc1 2330750057 OVHWEVMOTVYITD-UHFFFAOYSA-N 435.907 5.811 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2cccc(OC)c2)cc1OC 2330800471 RCEWBXYIHUZSJJ-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE CC(C)(C)Cc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1ccc(Cl)cc1 2330805441 OYZOMJGCTOMKMN-UHFFFAOYSA-N 441.988 5.133 30 10 IKEE COc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccc(Cl)cc2)cc1O 2330867346 XPDFKSMVCVOPPO-UHFFFAOYSA-N 444.988 5.409 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OC(=O)c1ccc(C)c(C)c1 2331173963 ROAPLZNUJCQUFU-UHFFFAOYSA-N 434.919 6.471 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)Cc1ccccc1Cl 2331232610 JEQBJWZHNGVEDD-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE COc1cccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2OC)c1 2331236947 LRTJISWUNUIQDC-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE CCCCC(=O)Oc1c(OC)cc(C=CC(=O)c2ccc(OCCC)cc2)cc1OC 2331300844 SLHWEDGZVZYWHY-UHFFFAOYSA-N 426.509 5.484 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1[N+](=O)[O-] 2331322641 XULDMXKHTZKMKE-UHFFFAOYSA-N 445.471 5.264 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(C)c3)cc2OC)c1 2331349278 GYSSCYVQHXRQPZ-UHFFFAOYSA-N 448.490 5.586 30 10 IKEE CSc1nnc(CC(C)C)n1N=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2331417753 NIUXZPHNJDBTSC-UHFFFAOYSA-N 449.407 5.967 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1[N+](=O)[O-] 2331473914 OMVXFXJVCSOSCR-UHFFFAOYSA-N 443.499 6.520 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)c1ccco1 2331499775 OWBRAEKAXMVBOR-UHFFFAOYSA-N 438.907 6.570 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3sccc3C)c(Cl)c2)c(C)c1C 2331612869 OWPCIHOVAIGBHZ-UHFFFAOYSA-N 440.948 6.451 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cc(Cl)c(OC(=O)C3CCC3)c(OC)c2)cc1C 2331835274 BXNJBKASUMYKPY-UHFFFAOYSA-N 428.912 5.576 30 10 IKEE C=CCCCCCC[C@H](NC)[C@@H](O)c1sc(Cl)cc1I 2366646598 XNWWNVMMTRWCOU-GXTWGEPZSA-N 427.779 5.154 30 10 IKEE CCN(CC)c1ccc(/N=C2/S/C(=C3\Sc4ccccc4N3C)C(=O)N2C)c(C)c1 6078425 QNAPBFIWMTZDEO-VHPLVOQASA-N 438.622 5.445 30 10 IKEE Cc1ccc(C2=NN(c3ccc(/C=N/c4cccc(O)c4)cc3)[C@H](c3ccccc3)C2)cc1 15772844 CHQJRNIYYPWOAK-INFHVPRLSA-N 431.539 6.807 30 10 IKEE CCc1sc2ncnc(Nc3ccccc3C#N)c2c1-c1ccc(Br)cc1 19950798 VORPDQYIHLWCJK-UHFFFAOYSA-N 435.350 6.298 30 10 IKEE C=CCn1c(SCC(=O)c2cc(C)[nH]c2C)nc2scc(-c3cccs3)c2c1=O 22412735 FMJCNGCQGZCUQE-UHFFFAOYSA-N 441.603 5.292 30 10 IKEE N#Cc1ccc(-c2ccc(F)cc2)nc1SCC(=O)Nc1ccc(Br)cc1 33011050 BUYIABIYSAQWIX-UHFFFAOYSA-N 442.313 5.253 30 10 IKEE C=CCCC(O)(CCC=C)c1ccc(CN(Cc2ccc(C)s2)C[C@@H]2CCCO2)o1 36203562 AZNSZVCTZFAKBK-NRFANRHFSA-N 429.626 5.951 30 10 IKEE C=CCC[C@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1 36307197 JYCCCAFXZVECCW-QFIPXVFZSA-N 437.559 5.558 30 10 IKEE C=CCOc1cccc([C@@H]2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2CCCCC)c1 39912026 RJELBGHLYDAITB-RUZDIDTESA-N 445.563 5.699 30 10 IKEE Cc1c(OC(=O)c2cc3ccccc3o2)ccc2c1O/C(=C\c1ccc3c(c1)OCO3)C2=O 41352508 BQOVNFHTLJEYMC-JJFYIABZSA-N 440.407 5.305 30 10 IKEE COCCN1COc2c(cc3c(c2C)O/C(=C\c2ccc(-c4ccccc4)cc2)C3=O)C1 41588686 GZXGCKUEKDIGEJ-OYKKKHCWSA-N 427.500 5.077 30 10 IKEE Cc1ccc(/N=C2\NC(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)S2)c(C)c1 59433595 YHRXWBRFGDEDGJ-LPYMAVHISA-N 435.980 6.256 30 10 IKEE O=C(/C=C/c1ccc(Cl)cc1)c1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1 59506302 FGDRDOVQDLOUHA-CXUHLZMHSA-N 437.882 6.190 30 10 IKEE C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OCCCc2ccccc2)c(OC)c1 66132648 PVVNDOKNLITKNJ-SANMLTNESA-N 428.532 5.459 30 10 IKEE COc1ccc2ccccc2c1/C=C1/S/C(=N/c2ccccc2)N(c2ccccc2)C1=O 83319163 FEMIEZRCXCANGU-IXTCTEKTSA-N 436.536 6.657 30 10 IKEE CCCCCCCCOc1ccc(CNCC(C)(C)C)c(OCCCCCCCC)c1 100047936 LCJOMBSRLHNGED-UHFFFAOYSA-N 433.721 8.301 30 10 IKEE CCCCCCCCn1c([C@H]2CC(=O)N(c3cc(OC)ccc3OC)C2)nc2ccccc21 102204642 BXPFMIHCDAWOQG-FQEVSTJZSA-N 449.595 5.935 30 10 IKEE O=C1C(=O)N(c2ccc(F)cc2)[C@@H](c2ccc(F)cc2)/C1=C(/O)c1ccc(Cl)cc1 102568238 BAABDVIXYBAOLD-LCPUNJGISA-N 425.818 5.245 30 10 IKEE O=C1/C(=C\c2cccc(F)c2)S/C(=N/c2cccc3ccccc23)N1C[C@@H]1CCCO1 105789844 PUHJTEZAQSLHBG-BZZIZCOASA-N 432.520 5.762 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccc(OC(C)C)c1 169981030 SLFVQPMBAJRASX-XMMPIXPASA-N 447.531 5.989 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(CC)cc3)[C@@H]2c2ccco2)c1 170089643 YNYYCRNHQBXVIB-QHCPKHFHSA-N 431.488 5.414 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2OC)c1 170123663 OBJOWGPTYNQGPB-HSZRJFAPSA-N 435.520 5.005 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(O)cc2)c1 170131995 OJYRTCFSKNRIHN-QHCPKHFHSA-N 425.440 5.230 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1ccccn1)c1cccc2ccccc12 170176602 HSROQBJOMRUKMX-QHCPKHFHSA-N 442.421 5.296 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccnc2)cc1C(C)(C)C 170196901 WRBDVLGEMHGECQ-HSZRJFAPSA-N 448.563 5.299 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccncc2)cc1C(C)(C)C 170203274 SXFGIBTWNNRFRY-QHCPKHFHSA-N 442.515 5.171 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccncc1 170208159 QMERIBMSGSWZIK-JOCHJYFZSA-N 430.504 5.059 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(OCC)cc1 170213741 JYGDGQVYEHYQTA-XMMPIXPASA-N 429.516 5.617 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@H]1c1cccc2ccccc12 170221266 UGEPYQBSHGWZDD-JOCHJYFZSA-N 449.934 5.799 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(F)cc2)c1 170238486 REVWVOMJMBMNFA-QFIPXVFZSA-N 435.426 5.146 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)C[C@H](C)O3)=C(O)C(=O)N1c1cccc(F)c1 170270966 HXLGFMCFLURFHD-UPCLLVRISA-N 443.474 5.240 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1c1ccccc1C 170273079 CWSRKRMPRRXPPG-AREMUKBSSA-N 437.539 5.965 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccco2)cc1 170280970 ZWGRAMQTWACCMO-RUZDIDTESA-N 441.527 6.065 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC(C)C)c3)[C@H]2c2ccc(C)o2)c1 170300278 ZGWXUOBWXOWPQB-XMMPIXPASA-N 445.515 5.714 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccc(C)o2)cc1C 170301900 KILPCPAQWRJPLE-DEOSSOPVSA-N 445.515 5.613 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(C)o1 170302664 IMZZUTUOMDPJDS-QHCPKHFHSA-N 445.515 5.677 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2sccc2C)cc1 170315071 TVEVUDRKTWKFCD-OAQYLSRUSA-N 428.513 5.629 30 10 IKEE CCC[C@@H]1S/C(=N/N=C/c2ccc(Cl)cc2)N(Cc2cccc3ccccc23)C1=O 229891416 WCTKBMBMMXFNNY-SGCVIQOPSA-N 435.980 6.127 30 10 IKEE Cc1cccc(C=Nn2c(N)c(C(=O)Nc3ccc(C)c(C)c3)c3nc4ccccc4nc32)c1 254742753 SKBUAQMUJAYSRN-UHFFFAOYSA-N 448.530 5.226 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(Cl)cc2)c1OC 526521170 LCDUERKYJBTXGA-QFIPXVFZSA-N 446.890 5.286 30 10 IKEE CCc1nnc(SCc2cccc(F)c2)n1/N=C\c1ccccc1COc1ccccc1 526825289 RECJUMXOPOSVTE-YUMHPJSZSA-N 446.551 5.733 30 10 IKEE FC(F)(F)Sc1cc(I)c(C(F)(F)F)c(C(F)(F)F)c1 575340592 PINBSTCWNCNNBY-UHFFFAOYSA-N 440.068 5.941 30 10 IKEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1cccc(Br)c1Cl 706535727 PKUJRWTYFJGSHS-MRXNPFEDSA-N 444.801 5.246 30 10 IKEE C=C1CCC(C[C@@H](O)[C@@H](Cc2ccc(Br)cc2)NC(=O)OC(C)(C)C)CC1 724592394 MIEFVLOVFXDQMS-WOJBJXKFSA-N 438.406 5.382 30 10 IKEE COc1ccc(/C=C\C(=O)c2ccc(N=Cc3c[nH]c4ccccc34)cc2)cc1[N+](=O)[O-] 1083967912 JWYUHUOHGRJNDB-FXSDLVDESA-N 425.444 5.731 30 10 IKEE Cc1c(CO/N=C(/CS(C)(=O)=O)c2cccc(Cl)c2)cccc1-c1ccccc1 1088688936 ZEASSIPWUDXESQ-BZZOAKBMSA-N 427.953 5.281 30 10 IKEE Cc1cc(C)cc(NC(=S)N/N=C\c2cn(-c3ccccc3F)nc2-c2cccs2)c1 1857810861 UVEUXEWPWYUGJS-MXAYSNPKSA-N 449.580 5.677 30 10 IKEE CN(C(=O)c1cccc(C#N)c1)c1ccc(NC(=O)c2cccc(-c3ccccc3)c2)cn1 1858261011 NJPKEVPHNAOUFB-UHFFFAOYSA-N 432.483 5.149 30 10 IKEE CC(C)(C)c1cc(C(=O)Nc2c(C#N)cnn2-c2ccccc2)c2cc(Cl)ccc2n1 1859651390 KWVCRBFONCRMJC-UHFFFAOYSA-N 429.911 5.495 30 10 IKEE Cc1ccc(CCC(=O)N2CCC(C(=O)Nc3scc(C(C)(C)C)c3C#N)CC2)cc1 1860629946 MSGGALRFTKLCRN-UHFFFAOYSA-N 437.609 5.036 30 10 IKEE Cc1ccc2nc(-c3ccc(NC(=O)C(=O)/C=C/c4ccc(F)cc4F)cc3)sc2c1 1860725691 AFAMRZARBAZXMO-IZZDOVSWSA-N 434.467 5.771 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 1861562174 JTTMLLQCLFDSDY-ARHOYUFESA-N 428.661 6.149 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)CCCOc1ccc(C)cc1 1861682684 YHQMOIXZVFCKMW-XMMPIXPASA-N 432.649 5.696 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccc(F)c1)c1ccc(Cl)cc1Cl 1862383322 UDNWKRQOGYJUQF-IBGZPJMESA-N 446.261 5.504 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(C)c2)cc1 1862389192 ABOVYMFFCXXCEY-DEOSSOPVSA-N 429.516 5.709 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1cccc(F)c1 1862414298 WTIYWTQPYBORRY-PEBXRYMYSA-N 437.417 5.443 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(Cl)c(Cl)c1 1862417344 YOMIWAMHQHSVPK-KRWDZBQOSA-N 426.246 5.258 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2cccc(C)c2)c1 1862431427 GYEFCAUYKTYABW-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)cc1OC 1862481255 ARFHJAHNTCOKKS-WSCWJOSJSA-N 449.547 5.169 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc3cc[nH]c3c2)c1 1862491212 NUWWGDJQMIBWTB-HSZRJFAPSA-N 442.540 5.625 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cccc(F)c1 1862501480 CZLJRGBGLIAEAZ-JOCHJYFZSA-N 443.490 5.058 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccccc2F)cc1 1862529078 BPBBMKNDJYQTTH-HSZRJFAPSA-N 449.909 5.820 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2cccc(F)c2)cc1 1862529909 LBSKLKYTJLNQQL-XMMPIXPASA-N 435.539 6.079 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862537804 FHZHAOHKRLZUOO-NRFANRHFSA-N 446.374 6.324 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc2cc[nH]c2c1 1862560254 GBYNBCNJLVZTTP-DEOSSOPVSA-N 445.563 5.689 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccccc2C)cc1OC 1862576658 YXVJIVSSQLSOIU-IQOKHDRSSA-N 449.547 5.169 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(C(C)(C)C)cc2)=C(O)C(=O)N1C1CCCCCC1 1862613998 VGYSYQVQJCSCFR-RUZDIDTESA-N 445.603 6.594 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1c(Cl)cccc1Cl 1862658432 QTJJPDVKBVEYDU-FQEVSTJZSA-N 426.299 5.745 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCC(C)C)cc1 1862665405 GFEBTVVIGACKHD-XMMPIXPASA-N 435.564 5.833 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCc2ccccc2)c1 1862674044 ROMIYYHTKAGGID-DEOSSOPVSA-N 445.490 5.045 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2Cc2ccc(C)cc2)cc1 1862687922 PXYPCHWHXQFRHY-RUZDIDTESA-N 441.527 5.345 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2c(F)cccc2Cl)c1 1862705331 VLLQELQPUGDNTK-OAQYLSRUSA-N 443.902 5.399 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc3cccnc23)=C(c2ccc(F)cc2)C1=O 1863137830 RDWQNTYIQGBMLG-UHFFFAOYSA-N 445.538 5.926 30 10 IKEE CC(C)(C)c1cccc(C(=O)Nc2c(Br)cc(C#N)cc2Br)c1 1866197190 LWSPWVMUVRASPP-UHFFFAOYSA-N 436.147 5.633 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 1866342398 KOBMSJVZWXDPOX-HSZRJFAPSA-N 429.711 6.284 30 10 IKEE C[C@H]1c2[nH]cnc2CCN1c1cc(Nc2cccc(C#N)c2)nc(-c2ccccc2Cl)n1 1868403384 BKHYWQWMTPWBBQ-HNNXBMFYSA-N 441.926 5.259 30 10 IKEE Cc1nc(Nc2ccc(C#N)cc2)cc(N2CCC[C@@H]2Cc2ccc(Br)cc2)n1 1868494156 ALHHWNACLZAHFF-OAQYLSRUSA-N 448.368 5.374 30 10 IKEE N#Cc1ccccc1Nc1cc(N2CCc3cc4ccccc4nc32)nc(-c2cccnc2)n1 1868572929 VRXAJIDNPLBHOM-UHFFFAOYSA-N 441.498 5.396 30 10 IKEE C=CCN(CC=C)C(=O)[C@](C)(CC)NC(=O)[C@H](CC(C)C)c1cccc(Br)c1 1869004064 NQWBFHQSDWQSQW-OFNKIYASSA-N 449.433 5.064 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3nc[nH]c3[C@@H]2C(C)C)nc(-c2ccccc2Cl)n1 1869250661 MHDDLDMAOOFYBP-DEOSSOPVSA-N 449.002 5.458 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)Nc2ccccc2OCC)c(=O)cc1C 1870091042 PCLYKDIRKBUQSJ-UHFFFAOYSA-N 442.600 5.714 30 10 IKEE CCCCCCCOc1cn(CCCCCC)c(CN(C)Cc2ccccc2)cc1=O 1870416509 AELGXCPMRWJCDG-UHFFFAOYSA-N 426.645 6.410 30 10 IKEE CCCCCCCOc1cn(CCC2=CCCCC2)c(CN2C[C@@H](C)O[C@H](C)C2)cc1=O 1870416894 UYXMJHIPRBTJAZ-DHIUTWEWSA-N 444.660 5.697 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2)c(CNc2ccc3[nH]ncc3c2)cc1=O 1870833781 SETQEQRNMHJBGR-UHFFFAOYSA-N 444.579 5.734 30 10 IKEE C=CCn1cc(OCc2ccc(CC)cc2)c(=O)cc1CNc1cccc(C(C)(C)C)c1 1870889969 JUZQPQZWQZTRAU-UHFFFAOYSA-N 430.592 6.085 30 10 IKEE C=CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(C(F)(F)F)cc1 1871252342 WNCCIKXLSLFSHK-UHFFFAOYSA-N 439.437 5.116 30 10 IKEE CC(C)CCN1COc2ccc3c(c2C1)O/C(=C\c1cccc(Br)c1)C3=O 1871353689 VBLCEMHZWNMUSQ-JAIQZWGSSA-N 428.326 5.263 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OC(=O)/C=C/c4ccc(F)cc4)c3C)C2=O)cc1 1871366106 SAWMVVXJUOBUIN-QJYQMIDQSA-N 428.459 5.932 30 10 IKEE Cc1cc(OC(=O)c2cccc([N+](=O)[O-])c2C)cc2c1C(=O)/C(=C/c1ccccc1F)O2 1871372119 AMJNHSQMXVEVAG-NHDPSOOVSA-N 433.391 5.186 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OC(=O)/C=C/c4ccc(C(C)C)cc4)c3C)C2=O)cc1 1871380084 VLKVXCQKIXUJNE-QHEGJKBSSA-N 438.523 6.662 30 10 IKEE C=CCN(CC=C)Cc1c(O)cc(C)c2c1O/C(=C\c1ccc(N(CC)CC)cc1)C2=O 1871393530 SITCYILKECMGRU-ULJHMMPZSA-N 432.564 5.337 30 10 IKEE CCCCN(CC)Cc1c(O)cc(C)c2c1O/C(=C\c1cn(C)c3ccc(OC)cc13)C2=O 1871395699 CREMQMMDLQOGCY-CFRMEGHHSA-N 448.563 5.439 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871406737 JPQGSMMPYRMBAD-ZGWJWYQGSA-N 447.462 5.165 30 10 IKEE COc1ccc(C)cc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1cccc(C)c1)C2=O 1871428674 NVHLTAVTHQDCJT-CFRMEGHHSA-N 443.499 5.254 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccc(C)cc3)cc(C)c2C1=O 1871454853 WQZCAAGBDUAAHC-OYKKKHCWSA-N 443.499 5.336 30 10 IKEE Cc1cc(C)c(NC(=O)COc2ccc3c(c2C)O/C(=C\c2cccs2)C3=O)c(C)c1 1871459432 YWEGDTCKKATDTQ-MTJSOVHGSA-N 433.529 5.615 30 10 IKEE C=CCN(CC=C)c1nc(=NCCCC)nc(Nc2ccc(Nc3ccccc3)cc2)[nH]1 1871603400 BQDRPJIEJHZURC-UHFFFAOYSA-N 429.572 5.171 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(OCCC)cc2)[nH]c(N(CC)CC)n1 1871726073 WPLCFSMRZRVLSN-UHFFFAOYSA-N 428.625 5.445 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(-c2ccccc2C)cc1)[C@@H](C)CC)S(=O)(=O)CC 1872216366 VRWHPNLHNZOBQN-CYFREDJKSA-N 442.625 5.243 30 10 IKEE N#C[C@@H](C(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872762863 YDYFQXAZANFQEZ-RRGWEWPQSA-N 444.299 5.915 30 10 IKEE N#C[C@@H](C(=O)Cc1ccc(Cl)cc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872779306 GXPIOACIJRECFR-QFIPXVFZSA-N 444.943 6.675 30 10 IKEE N#C[C@H](C(=O)COc1ccccc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872779493 KWXPUFZECYIHPW-JOCHJYFZSA-N 426.497 5.858 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@H](C#N)C(=O)Cc2c[nH]c3ccccc23)n1 1872784031 NUTLCOBSUUVWFJ-QGZVFWFLSA-N 435.936 5.681 30 10 IKEE CCCCCCCCCCNC1=C(c2c(C)cc(C)cc2C)C(=O)N(CCOC)C1=O 1873119686 JQAJSFVWDVTIKS-UHFFFAOYSA-N 428.617 5.068 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H](CC)CCCCC)=C(c2cc(C)ccc2C)C1=O 1873150672 HBUFIXVKVUKRGK-HSZRJFAPSA-N 440.672 6.692 30 10 IKEE COc1cc(/C=N/Nc2oc(Cc3cccc4ccccc34)nc2C#N)cc(Cl)c1O 1873463411 ITUXQSHQBLODJD-LGJNPRDNSA-N 432.867 5.104 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(OCCCC)cc1)n2CC 1873656233 UNMSMDLIJJWDPK-UHFFFAOYSA-N 433.556 5.061 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(N(CC)CC)cc1C)n2CC 1873656589 FMKLJIBWEBVMGH-UHFFFAOYSA-N 446.599 5.037 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1cccs1 1874215906 HKRJADFWYCZSLQ-LPYMAVHISA-N 433.002 5.555 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1cccc(Cl)c1 1874231103 RWRPACINTLLSNX-FSJBWODESA-N 435.380 5.857 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1cccc(Cl)c1 1874252817 ZUASUGKKMXMBLK-MFKUBSTISA-N 441.000 5.802 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccccn1 1874274825 OGUVZUPIUKIHNG-JVWAILMASA-N 447.995 5.595 30 10 IKEE C=CCSc1nnc(-c2ccccc2Cl)n1/N=C/c1c(OC)ccc2ccccc12 1874368142 WSHNRTCACSNBCO-MFKUBSTISA-N 434.952 5.921 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(CCc3cccs3)nnc2SCc2ccccc2)c1 1874371903 XTTVMVYDFQKMRG-BUVRLJJBSA-N 434.590 5.313 30 10 IKEE Cc1ccsc1/C=N/n1c(Cc2cccs2)nnc1SCc1cccc(Cl)c1 1874414498 VQSQAHRYVSLCFL-WSDLNYQXSA-N 445.038 6.128 30 10 IKEE Cc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2cc(C)ccc2C)cc1 1874416958 QRLNNHFZFZIVBK-WPWMEQJKSA-N 426.589 5.969 30 10 IKEE Clc1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2ccncc2)c(Cl)c1 1874424687 XWOVPTIOBYFZMW-FOKLQQMPSA-N 446.388 5.883 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2-c2ccccc2)cc1O 1874428267 AGUUSSXAZIOADF-CVKSISIWSA-N 444.560 5.451 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccc(CC)cc2)n1/N=C/c1ccc(C)cc1 1874477696 GAEQUVHGUUQACE-PCLIKHOPSA-N 435.597 5.105 30 10 IKEE COc1ccccc1/C=N/n1c(CC(C)C)nnc1SCc1c(F)cccc1Cl 1874491918 PDVSRTNWIFNVAF-WYMPLXKRSA-N 432.952 5.452 30 10 IKEE CC(C)c1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccc(N(C)C)cc1 1874514643 DNLHFLFFBAGFIS-WYMPLXKRSA-N 448.423 5.949 30 10 IKEE CCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1cc(Br)ccc1O 1874526886 MGVCBLMRKZWDIG-SSDVNMTOSA-N 445.386 5.100 30 10 IKEE CC(C)(C)c1nnc(S)n1/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 1874559281 IJYPUWVTPZNALY-FOKLQQMPSA-N 435.380 5.632 30 10 IKEE Sc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1ccc(Cl)c(Cl)c1 1874569525 AOPYPGJLWVSHBL-QPSGOUHRSA-N 448.162 5.642 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccccc2Cl)c1OCC(=O)Nc1c(C)cccc1C 1874575059 SUPYSRGAJOQFKV-CCEZHUSRSA-N 449.934 5.879 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2cccc(Cl)c2)c1OCc1cc(C)ccc1C 1874577188 AMQOIXAIENFMCQ-MDZDMXLPSA-N 441.354 7.094 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCc2ccccc2C)cc1 1874577898 LCSNRZYMOHSADH-SDNWHVSQSA-N 436.935 6.531 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2C)c1 1874580234 DJGBBBJQILSHNY-ZRDIBKRKSA-N 447.962 6.487 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccccc2OCc2ccc(Cl)cc2Cl)c(C)c1 1874589176 XSZFAERAQXRMDB-PKNBQFBNSA-N 425.355 7.394 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3nc(O)c4ccccc4n3)c2)cc1 1874594134 USTXBHXJAJIOLY-GXDHUFHOSA-N 440.499 5.382 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC)c(OCc3ccc(Cl)cc3)c2)c1 1874596984 NZGANPAJPFDRTL-IZZDOVSWSA-N 438.907 5.841 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccccc3Cl)cc2OC)o1 1874608642 ZICJUSOGVDFMAW-DHZHZOJOSA-N 440.879 5.593 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCCc1ccccc1 1874610750 JIWWCSKWCDWZIH-KPKJPENVSA-N 437.879 5.774 30 10 IKEE CCCCCCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cc(C)cc(C)c1 1874682220 MIKCCYRKQCZLMD-AREMUKBSSA-N 447.623 6.201 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)CSc3ccccc3)c2)cc1 1874703183 CIDYTDOXUWTGQV-LFIBNONCSA-N 432.541 6.069 30 10 IKEE COc1ccccc1CCC(=O)Oc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC 1874703417 OOTKQUXPZRXQJS-SDNWHVSQSA-N 444.527 5.755 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 1874706032 MIVKPYUKIYTWDQ-XNTDXEJSSA-N 429.472 6.008 30 10 IKEE COc1cc(C(=O)/C=C/c2cccc(OC(=O)CC3CCCCC3)c2)c(OC)cc1Cl 1874711929 NHTPACVVXLKQBC-VAWYXSNFSA-N 442.939 6.129 30 10 IKEE C=CCN(CC=C)CCC(=O)c1ccc(NC(=O)CCCOc2ccccc2C(C)C)cc1 1874756669 KKBMTLIGVVTMHY-UHFFFAOYSA-N 448.607 5.855 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(F)c3)c(Cl)c2)cc1 1875106953 SICKZVHHJDDDRV-GXDHUFHOSA-N 436.910 6.937 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3)c(Br)c2)cc1 1875114355 QEKIPYFSIDHLHE-NTUHNPAUSA-N 437.289 5.573 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1 1875118473 YACXKDDSKRGACV-NDCSFFLDSA-N 436.891 5.618 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc([N+](=O)[O-])c1OC(=O)CC(C)(C)C 1875124968 KVCBOOBZRXBERC-RMKNXTFCSA-N 447.434 5.509 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)c1ccc(CC)cc1 1875128957 DBUUDRRDAXGOOV-SAPNQHFASA-N 426.512 6.101 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc([N+](=O)[O-])c1OC(=O)c1ccncc1 1875140821 ZNVXNTFZIMGZOT-BQYQJAHWSA-N 446.459 5.121 30 10 IKEE CCCCC(=O)Oc1c(OCC)cc(/C=C/C(=O)c2cc(C)ccc2OC)cc1[N+](=O)[O-] 1875145482 NVKXTHXJAHDXBU-ZHACJKMWSA-N 441.480 5.302 30 10 IKEE CCCCCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2cccc3ccccc23)cc1OC 1875153998 IWKLZTUBIXLNIY-WUKNDPDISA-N 446.543 6.629 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2Cl)c1 1875158406 UVDDDAJJUGHYPU-LFYBBSHMSA-N 438.882 5.922 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)c1cccnc1 1875160441 QMQMLEJWLQSFSV-QPJJXVBHSA-N 429.806 5.137 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(F)c3)cc2)c(OC)c1 1875162017 SMCJRDINUSPBPO-LFYBBSHMSA-N 438.426 5.026 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)C(C)(C)C)c(Cl)c2)cc1C(C)C 1875162798 LXSMTKRHPLDTDK-CSKARUKUSA-N 428.956 6.628 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc([N+](=O)[O-])c1OC(C)=O 1875164506 MZHVXLAEHVRNID-NTEUORMPSA-N 447.443 5.607 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OC(=O)c3cc4ccccc4n3C)cc2)c1C 1875168688 PVQJNFCXNQUFDS-NTCAYCPXSA-N 437.539 6.527 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)c1ccccc1 1875171006 AIXLFMMPEIIUMX-ACCUITESSA-N 430.500 5.826 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)Cc1ccc(C)cc1 1875176700 MAGJTUUAXRDBFU-SDNWHVSQSA-N 428.528 6.055 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC(C)C)c([N+](=O)[O-])c2)c(OCC)c1 1875177393 JBGQSTBOGBZHIH-YRNVUSSQSA-N 441.480 5.240 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(F)c3)c(Cl)c2)c(OC)c1 1875178495 NBALACWZPBXZHZ-UXBLZVDNSA-N 440.854 5.612 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)cc1OCC 1875186478 XUKSXFVOFRWYIW-JLHYYAGUSA-N 444.955 6.519 30 10 IKEE CCCC[Sn](CCCC)(CCCC)c1ccc(C#N)cc1C(C)C 1885687035 CBAWDOMPCRDKPA-UHFFFAOYSA-N 434.256 6.738 30 10 IKEE C#CC[C@H](C)C[C@@H](NCCC)c1cc(I)ccc1Br 1887488026 FEEFNNZYXNPLEW-BLLLJJGKSA-N 434.159 5.144 30 10 IKEE CCN(CC)c1cccc(OCC#CCNC(=O)c2cc(Cl)cc(C(F)(F)F)c2)c1 1891195107 DSFKCHYUJXYHGM-UHFFFAOYSA-N 438.877 5.017 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1[C@@H](C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1937960095 KJXCFZAEVZMPLU-NXHRZFHOSA-N 435.590 5.023 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1C[C@@H]2CCC[C@H]2N1C(=O)OC(C)(C)C 2000626233 LAEQMGWYFFYOBH-KIHHCIJBSA-N 428.617 5.306 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@](C)(C#N)CCCN(C)C(=O)OC(C)(C)C 2002713581 ZJTPVTNAYKQIFJ-XMMPIXPASA-N 431.577 5.666 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCC2)C2(CCC2)C1 2019922406 VETGHKUTIGLIDM-RTBURBONSA-N 433.593 5.095 30 10 IKEE C=CCCCCCC[C@@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCC 2026013207 VUJBAFDYKZFDCF-BJKOFHAPSA-N 432.649 5.991 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)CC12CC2 2037525232 FDDWXWWVAKINHG-RUZDIDTESA-N 447.620 5.772 30 10 IKEE C=CC1(C[C@@H](NCC)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)CCC1 2049041888 XYIAFCKUEZVHBL-YIXXDRMTSA-N 442.644 5.555 30 10 IKEE COc1ccc(C(=O)C=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)cc1 2053497516 NARKYBNNZQLZNN-UHFFFAOYSA-N 440.499 5.461 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)c(C)cc1Br 2060545840 NGCAORICHAWCJB-CQSZACIVSA-N 431.758 5.209 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1)c1cccc(Br)c1 2072712755 ZXVGXLNLOGFNBY-NRFANRHFSA-N 448.316 5.228 30 10 IKEE Fc1cc(C(F)(F)F)cc(-c2c(C(F)(F)F)nn3c(Cl)c4c(nc23)CSC4)n1 2081307706 JEHYGRIQNGVYRE-UHFFFAOYSA-N 442.747 5.368 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)C12CCCC2 2083815440 FVYYWMJZZGILQG-JOCHJYFZSA-N 448.568 5.140 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(C)c(Br)cc1C 2136365365 XSYFEMBGNJQGCN-RTBURBONSA-N 425.411 5.576 30 10 IKEE C=CCCCCCC[C@H](NN)c1ccc(Br)cc1I 2142288464 KTGLDFGRAKUXDE-HNNXBMFYSA-N 437.163 5.085 30 10 IKEE COc1cc(CNC(=O)OC(C)(C)C)ccc1Nc1ccc(C#N)cc1Br 2162332163 AJSDINIMIJTTKS-UHFFFAOYSA-N 432.318 5.098 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc2c1CCN(c1cc(Br)cc(C#N)c1)C2 2174815738 WPXSTNARTYTUHK-UHFFFAOYSA-N 428.330 5.230 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1cc(NC(=O)OC(C)(C)C)ccc1OC 2221620649 APERHAAIDCYDHU-DEOSSOPVSA-N 440.584 5.856 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)[C@@](C)(CC)CNC(=O)OC(C)(C)C 2235748070 WFTXDUXGQWJKQT-KNQAVFIVSA-N 437.422 5.110 30 10 IKEE C=CCC1(NCc2cc(C(F)(F)F)ccc2Br)CN(C(=O)OC(C)(C)C)C1 2236313806 BBYYRYNDQVPQKG-UHFFFAOYSA-N 449.311 5.123 30 10 IKEE C#CCCCCC[C@@H](NC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237427445 YPHAOOJKSBNEFZ-WOJBJXKFSA-N 437.422 5.057 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)cc1CC 2237539255 IIFDCXSBUBABMG-WOJBJXKFSA-N 439.438 5.912 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Cl)c1)CCCCCNC(=O)OCc1ccccc1 2239560824 GBUPDANKCSVDSH-XMMPIXPASA-N 426.988 5.547 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2cc(Br)ccc2C#N)C[C@H]2CCCC[C@H]21 2240973470 SRXABXMZSBXTJK-DKSSEZFCSA-N 434.378 5.301 30 10 IKEE C=C(Cl)COC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2241637664 NKLYHFJJZHXXED-QFIPXVFZSA-N 427.928 5.236 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1ccc(Cl)c(I)c1 2243583519 WEIUVNYIQUAZHA-LJQANCHMSA-N 441.740 5.368 30 10 IKEE CCC(C)(C)N(CCC#N)C(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 2243912023 ZGQDTUDMPYVONM-UHFFFAOYSA-N 447.579 5.235 30 10 IKEE CC[C@H](C)N(Cc1ccccc1)C(=O)c1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1 2247778352 AMWMBCMYBDMONI-KRWDZBQOSA-N 427.781 5.080 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@@]1(C#N)[C@H]2CCC[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C2 2249384138 KCCUHTWIPSQAKX-HJFCPUAFSA-N 435.609 5.245 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCCC)c2sc(Br)c(C)c2C)C1 2265931240 AYOSGIRPHJADHX-MRXNPFEDSA-N 443.451 5.782 30 10 IKEE Cc1cc(C(=O)N(Cc2ccccc2)[C@H](C)C(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2267232338 PXFOMGVYRLPUKJ-HXUWFJFHSA-N 435.417 5.371 30 10 IKEE CC1(C)OB(c2cccc(NC(=O)N(Cc3ccccc3)CC3CCCC3)c2)OC1(C)C 2267641350 HGUJZNAGIYQLFB-UHFFFAOYSA-N 434.389 5.210 30 10 IKEE CCN1C(=O)C(=C2Sc3ccc(Cl)cc3N2CC)SC1=N[C@H](C)c1ccccc1 2295201921 RAKNCXLTUBNDOR-CQSZACIVSA-N 444.025 6.154 30 10 IKEE CCCC[C@H](C[C@@H](C#Cc1ccc(Br)cc1)NCC)NC(=O)OC(C)(C)C 2296299745 YUZTYJWXTQTFDW-WOJBJXKFSA-N 437.422 5.252 30 10 IKEE C=CCOc1c(Cl)cc(C=C2SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OC 2297308152 UOGUPGAITPLEMD-UHFFFAOYSA-N 433.888 5.289 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 2302571517 LHRCMIJOCUWRHV-SUMDDJOVSA-N 449.979 5.667 30 10 IKEE CCCCCCCN1C(=O)C(=C2SC(=S)N(C3CCCCC3)C2=O)c2ccccc21 2314717475 DNTGQNYDROEJOF-UHFFFAOYSA-N 442.650 5.908 30 10 IKEE CCCOc1c(C=Nn2c(CC)nnc2SCc2ccc(Cl)cc2)cccc1OC 2318574238 HZQVADUIACETKM-UHFFFAOYSA-N 444.988 5.466 30 10 IKEE Cc1ccccc1COc1cc(C)c2c(c1)OC(=Cc1c(Cl)cccc1Cl)C2=O 2321742670 XWVHXZGGMKIFCC-UHFFFAOYSA-N 425.311 6.805 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OCc3ccc(Cl)cc3Cl)cc(C)c2C1=O 2321787272 BQAMZYGNMLTOGC-UHFFFAOYSA-N 431.340 6.867 30 10 IKEE Cc1ccccc1CSc1nncn1N=Cc1ccc(OCc2cccc(Cl)c2)cc1 2321813919 IPNXTIAUEHQIQX-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE Cc1cccc(CN2COc3ccc4c(c3C2)OC(=Cc2ccccc2OC(F)F)C4=O)c1 2322217899 QUJJRUUGLIXIHA-UHFFFAOYSA-N 449.453 5.565 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1cccc(Cl)c1)C3=O)CN(CCOc1ccccc1)CO2 2322339274 XPGZHOQIGPUZHS-UHFFFAOYSA-N 447.918 5.496 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)N[C@H](C)c2ccccc2)c(C)c1C 2322810080 OGUKIYCZEBJNAW-OAQYLSRUSA-N 443.543 5.464 30 10 IKEE CCCN(CCC)C(=O)COc1c(C=CC(=O)c2c(C)cc(C)cc2C)cccc1OC 2322952772 WUSKEJTXUWTEFE-UHFFFAOYSA-N 437.580 5.544 30 10 IKEE O=C(C=Cc1cccc(OCc2c(Cl)cccc2Cl)c1)c1ccc2c(c1)CCCC2 2323054917 NJRMOHZOUSRPPR-UHFFFAOYSA-N 437.366 7.347 30 10 IKEE CCOc1cc(C=NNc2ccc(OC)cc2)ccc1OCc1c(Cl)cccc1Cl 2323069030 DQUIPVRTZODNGL-UHFFFAOYSA-N 445.346 6.426 30 10 IKEE O=C(C=Cc1cccc(OCc2c(Cl)cccc2Cl)c1)c1ccc2c(c1)OCCO2 2323181884 NRPKFWKHXFBJIP-UHFFFAOYSA-N 441.310 6.240 30 10 IKEE CCOc1c(Cl)cc(C=NNc2nc(O)cc(-c3ccc(OC)cc3)n2)cc1Cl 2323260596 ZJOXUSFUZLHSHF-UHFFFAOYSA-N 433.295 5.009 30 10 IKEE Cc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1[N+](=O)[O-] 2323331832 QYROVVVSFGDJAU-UHFFFAOYSA-N 449.846 5.700 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)c4cccc(OCC(C)C)c4)ccc3C2=O)cc1 2323579955 WUSNJHJCDOIVAY-UHFFFAOYSA-N 442.511 6.119 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2OCC)C3=O)cc1 2323791663 QDCIHOVPBDXJPE-UHFFFAOYSA-N 444.483 5.628 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)c1 2323854285 FTYXMBQXKIFRET-UHFFFAOYSA-N 441.483 5.153 30 10 IKEE CCc1ccc(OCCCOc2ccc3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1 2324653739 GNOKUWOJVIIOBG-UHFFFAOYSA-N 442.555 6.837 30 10 IKEE COc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C)cc4C)cc(C)c3C2=O)cc1 2324883118 OBKGJFQJBVCSPE-UHFFFAOYSA-N 443.499 5.254 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)c(C)c1 2324892265 LHVNQXWZOJEVJS-UHFFFAOYSA-N 431.463 5.385 30 10 IKEE Cc1cccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4c(C)cccc4C)ccc3C2=O)c1 2325141848 APXJDYIQVDEMFD-IBGZPJMESA-N 427.500 5.634 30 10 IKEE CC(C)c1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2)cc1 2325485696 GUQTVRYFZVCUQD-UHFFFAOYSA-N 426.589 6.167 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(OC)cc1OC 2325603807 OPWBWOFBIKLKFX-UHFFFAOYSA-N 432.549 5.185 30 10 IKEE CC(C)COc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(Cl)cc3)c2)cc1 2325730522 CQSLYHVKCPKRKY-UHFFFAOYSA-N 434.919 6.490 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1cccc(F)c1 2326322637 FBPPAPPIGSJZCU-UHFFFAOYSA-N 438.572 5.542 30 10 IKEE CCn1c(C)c(C=Nn2cnnc2SCc2c(Cl)cccc2Cl)c2ccccc21 2326512000 OSCWBIKNUUVWSQ-UHFFFAOYSA-N 444.391 6.042 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C)n2N=Cc2cc(Cl)c(O)c(Cl)c2O)c1 2326589526 CNLFKXSDMGSCCE-UHFFFAOYSA-N 437.352 5.096 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccc(OC)c(O)c1Cl 2326601011 WGNNNRNZTIMLFQ-UHFFFAOYSA-N 444.988 5.390 30 10 IKEE CCCCc1nnc(SCc2ccc(Br)cc2)n1N=Cc1ccccc1F 2326622242 ITNDMPXNYUYAMN-UHFFFAOYSA-N 447.377 5.697 30 10 IKEE CCOc1ccc2ccccc2c1C=Nn1c(C)nnc1SCc1ccc(C#N)cc1 2326660816 PSFXUATYIYZLOY-UHFFFAOYSA-N 427.533 5.185 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1ccc(C(C)(C)C)cc1 2328179578 FWVHTEGYNVVQLM-UHFFFAOYSA-N 438.685 7.200 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccc(C)cc3C)n2N=Cc2ccccn2)cc1 2328877205 NADLSNGEWBTFDE-UHFFFAOYSA-N 443.576 5.352 30 10 IKEE Cc1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCCc2ccccc2)cc1 2329847125 UWXRBZZOTLZDEN-UHFFFAOYSA-N 430.552 5.533 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3F)n2N=Cc2ccccc2C)cc1 2329992575 ICEQBDRDLPAWRV-UHFFFAOYSA-N 430.552 5.799 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccc(F)cc2F)cc1 2330156109 XAXUVRLLRVBNTF-UHFFFAOYSA-N 448.542 5.824 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3ccc(F)cc3)c(OC)c2)cc1 2330737834 WAGPGKZFBCBGHU-UHFFFAOYSA-N 438.882 6.165 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)c(C)c3)c([N+](=O)[O-])c2)cc1 2330749786 GJWDPDLBWIZGGA-UHFFFAOYSA-N 447.462 5.649 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Br)cc3)cc2)c1 2330776965 SQJNCFQGKSTGPR-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE O=C(CC12CC3CC(CC(C3)C1)C2)Oc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1 2331117658 TVSZQPVPCZCDHM-UHFFFAOYSA-N 434.963 6.748 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(OCC(C)C)cc3)cc2)cc1 2331189528 TZMZVNAMEARYPD-UHFFFAOYSA-N 444.527 6.235 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)c1ccc(Cl)cc1 2331326919 ZFQXFRBAUMUCIE-UHFFFAOYSA-N 434.919 6.471 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(C)c3)cc2)cc1[N+](=O)[O-] 2331332904 AGDLVENODIOVRU-UHFFFAOYSA-N 435.407 5.166 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)C(F)(F)F 2331339809 AGVFDCRKRFSPOE-UHFFFAOYSA-N 430.781 5.550 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(CC(C)C)nnc2SCc2cccc(C)c2)cc1 2331440006 PLWDEJOTYDSZOL-UHFFFAOYSA-N 435.641 5.806 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1)c1cc(Cl)ccc1Cl 2331469907 KCKNIQBNANRQFX-UHFFFAOYSA-N 447.317 7.262 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1OC(=O)Cc1ccccc1 2331532462 FQQKZYBZPCXRCV-UHFFFAOYSA-N 449.434 5.177 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1Cl 2331557537 HRVVYLAJQKDZLP-UHFFFAOYSA-N 434.910 7.170 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(F)c3)cc2OC)cc1 2331569561 TYRFSCABSDPKHW-UHFFFAOYSA-N 438.426 5.026 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1sccc1C 2331657668 QBHXLDAEMPUFGC-UHFFFAOYSA-N 434.557 6.414 30 10 IKEE CCCSc1nnc(CCC)n1N=Cc1ccc(OCc2ccc(C)cc2)c(OC)c1 2331657763 JHTBNAGAERXUIW-UHFFFAOYSA-N 438.597 5.511 30 10 IKEE CC[C@H](CN(CC)C(=O)OC(C)(C)C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339583497 XKUZXBSJOVKVFZ-LJQANCHMSA-N 446.397 5.141 30 10 IKEE COc1c(O)cccc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2367226323 ITVVNGAOAMGIEE-INIZCTEOSA-N 433.302 5.170 30 10 IKEE Cc1cc(CNCc2ccc(OCc3ccccc3)cc2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369678523 FWUABSFGKYDEAK-UHFFFAOYSA-N 443.396 5.163 30 10 IKEE O=S(=O)(Nc1nccs1)c1ccc(/N=C/c2ccccc2OCc2ccccc2)cc1 19945722 VMFMYPLJBNULIB-PCLIKHOPSA-N 449.557 5.274 30 10 IKEE Cc1ccc(C(=O)[C@@H]2[C@@H](c3cccc(F)c3)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N23)c(C)c1 20356980 ZTWKNHXZPQOHGK-PFBJBMPXSA-N 447.513 5.727 30 10 IKEE COc1ccc(OC)c([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(Cl)c(Cl)c2)C3)c1 20881918 XMPLSVCWDUKDQP-BBRMVZONSA-N 446.330 5.015 30 10 IKEE CC(C)COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2)cc1 21237432 GPDIGEQEGAMAHS-ZTOMLWHTSA-N 438.571 6.701 30 10 IKEE O/C(=N\c1nnc(SCc2ccccc2)s1)c1cc2c(nc3sccn32)s1 21955160 YJPXKPHMTUBRIK-UHFFFAOYSA-N 429.577 5.391 30 10 IKEE CCc1cccc(N/C(=N/C(=O)c2ccc(C(C)(C)C)cc2)NCc2c(C)nn(C)c2C)c1 32972322 SWTXPKTXFADOEO-UHFFFAOYSA-N 445.611 5.295 30 10 IKEE O=C(/C=C\c1ccc2cccnc2c1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O 33380560 ZNIJKFJWEBVTNH-LCYFTJDESA-N 436.898 6.293 30 10 IKEE O=C1/C(=C/c2ccccc2Cl)S/C(=N/c2ccncc2Cl)N1C1CCCCC1 39864611 GOYMNFIXCNGXSX-AVIKPBSTSA-N 432.376 6.325 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccc(F)cc1 40080984 BXSWYUAQGCPPFS-QFIPXVFZSA-N 425.500 5.239 30 10 IKEE COCCCN1COc2c(cc3c(c2C)O/C(=C\c2ccc(-c4ccccc4)cc2)C3=O)C1 41588696 LDWUDVGFYYNIAP-MYYYXRDXSA-N 441.527 5.467 30 10 IKEE CCOC(=O)/C(=N\Nc1ccc(OC)cc1)Sc1nc2ccccc2n1-c1ccccc1 59121530 FAEINWIHLUVYGB-HPNDGRJYSA-N 446.532 5.115 30 10 IKEE COc1ccccc1CO/N=C(\C)c1cc(-c2ccc(F)cc2)n(-c2cccc(C)c2)c1C 97629491 KSAVSOGBECVXDD-TWKHWXDSSA-N 442.534 6.850 30 10 IKEE CCCCCCCOc1cccc(NCc2cccc(OCCOc3ccccc3)c2)c1 100039081 GGKSZZUGJUEYMG-UHFFFAOYSA-N 433.592 7.106 30 10 IKEE CCCCCCCOc1ccc(NCC(=O)Nc2cccc(OCCC(C)C)c2)cc1 100077483 IMURGNGLWFXTIA-UHFFFAOYSA-N 426.601 6.511 30 10 IKEE CCCCCCCCC/C=C/C[C@@H](CC(=O)Nc1ccc(Br)cc1)C(=O)O 100166481 MQNHEGLHWZYQRP-ZGKFYVQTSA-N 438.406 6.566 30 10 IKEE CCCCCCCCCCCCCC(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 100467135 YEBXXTBSXYEPKG-UHFFFAOYSA-N 428.661 7.845 30 10 IKEE CCCCCCCc1ccc(-c2cc(C(=O)O)c3cc(Br)ccc3n2)cc1 100950359 NBDPMYPHZRURME-UHFFFAOYSA-N 426.354 6.875 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)S/C1=N/c1cccnc1 101124780 LFQAGZIDJYELTJ-GKOYHKHUSA-N 449.963 5.938 30 10 IKEE CCCCCCCOc1c(Cl)cc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl 101138331 JPFGEKWPKGSZLX-UHFFFAOYSA-N 448.312 7.614 30 10 IKEE CCCN1C(=S)N[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C(=O)c2ccccc2)=C1C 169928653 ZJKJRXHEPWCOHZ-LJQANCHMSA-N 429.929 5.046 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@@H]2c2ccccc2)cc1 170049393 BLHRJFWFERRFEX-XMMPIXPASA-N 441.527 5.776 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2Cc2ccco2)cc1 170066984 JEGTXHXKNDJMES-XMMPIXPASA-N 440.499 5.663 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccccc2F)c1 170069002 HUWJIWIABJQPAT-HSZRJFAPSA-N 442.446 5.099 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2c[nH]c3ccccc23)c1 170074785 OYWZSCABCXPUEO-XMMPIXPASA-N 438.483 5.273 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2c[nH]c3ccccc23)cc1 170075172 CFAAGNFVFIWMRU-HSZRJFAPSA-N 442.902 5.913 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccccc2C)c1 170086755 WUIYSCJQNNXCGP-DEOSSOPVSA-N 445.490 5.624 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)o1 170101032 VSCLVGCAVMARJN-IBGZPJMESA-N 446.261 5.817 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(CC)cc3)[C@H]2c2ccc(C)o2)cc1 170101356 YIGPLUHNTAWOAQ-HSZRJFAPSA-N 431.488 5.332 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@@H]1c1sccc1C 170106296 NOSPELAJLWVPCI-QFIPXVFZSA-N 447.556 5.773 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2Cc2ccco2)cc1 170114510 AZKNDFWXAYTDFJ-DEOSSOPVSA-N 439.467 5.220 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(OC)c2)cc1 170121488 DFAOQZHDMBRMAF-HSZRJFAPSA-N 435.520 5.005 30 10 IKEE COc1ccccc1C1=C(Nc2cccc3ccccc23)C(=O)N(c2ccc(C#N)cc2)C1=O 170166913 BGCNWIUWMCURFF-UHFFFAOYSA-N 445.478 5.117 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccnc2)cc1C(C)C 170183133 PDDVKPHZFJWYRN-QFIPXVFZSA-N 448.544 5.054 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(Cl)ccc3OC)[C@H]2c2cccnc2)cc1 170185792 DRTHXYAEAAIHPC-JOCHJYFZSA-N 448.906 5.089 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccccc1)c1ccc(Cl)c(Cl)c1 170231215 ZNGCFGIQKJGHOX-HXUWFJFHSA-N 439.298 5.167 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4)[C@@H]3c3ccccc3F)oc12 170249238 JQFASIUIRWNWKE-JOCHJYFZSA-N 443.430 5.363 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@H]1c1ccccc1F 170253275 PQEDZZVITWDXAK-HXUWFJFHSA-N 431.891 5.256 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccccc2C)c1 170271870 XVUJLVKQRBWNFS-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@H]1c1ccco1)c1cccc([N+](=O)[O-])c1 170287270 STWBYLGEUMKDCC-QFIPXVFZSA-N 440.411 5.124 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2cccc(F)c2)o1 170299094 NISFUFJZSMMDKW-HSZRJFAPSA-N 427.431 5.663 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1c(C)[nH]c2ccccc12 170312032 XERZLZCAULNONB-OYLFLEFRSA-N 444.531 5.178 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2c[nH]c3ccccc23)c1 170382664 DYXMFMCGCXGSBF-DEOSSOPVSA-N 438.483 5.350 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 170415068 FSZAEGFPUKZNRR-JOCHJYFZSA-N 449.547 5.963 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccc(Cl)c(Cl)c1)c1cccs1 170422765 RQYVCJIMARTBQR-SFHVURJKSA-N 445.327 5.228 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 170466492 RLKWJODXLDCPAP-QHCPKHFHSA-N 449.591 6.288 30 10 IKEE CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 170469301 YDQVBWAQOCTUSS-XMMPIXPASA-N 448.563 5.458 30 10 IKEE CCCN[C@H](CC#CC(C)(C)C)c1cc(Br)ccc1I 383537859 ORSYRLYFISRWPR-MRXNPFEDSA-N 448.186 5.534 30 10 IKEE C=C(C)[C@H](NC(=O)c1cc(O)nc2ccc(Br)cc12)c1ccc(F)c(F)c1 475676002 XQIITCJDXHQLMV-IBGZPJMESA-N 433.252 5.028 30 10 IKEE COc1ccc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)c(OC)c1 526514018 AILJOVLMTVGKEF-QHCPKHFHSA-N 446.890 5.286 30 10 IKEE Cc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccc(Cl)c2Cl)cc1 526522119 PFSRPZMKMAROCR-QFIPXVFZSA-N 435.310 6.231 30 10 IKEE CCOc1cccc([C@@H]2C(c3ccc(OC)cc3)=C(O)C(=O)N2c2ccccc2C#N)c1 526603475 FJMTUPABQKEXPW-XMMPIXPASA-N 426.472 5.023 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1cccc(OCC)c1OC 526806092 YFRFTBKYBSDJBW-XYGWBWBKSA-N 438.597 5.511 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1c[nH]c2ccccc12 526814761 LQVZPZDZQCBGID-ROTLSHHCSA-N 444.391 6.193 30 10 IKEE Cc1ccccc1N(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(Br)cc1 586205458 CAZSBMOXXKUVBJ-UHFFFAOYSA-N 441.350 5.025 30 10 IKEE C[C@H](C[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1)c1ccccc1 698441508 ANMVYKVXKQMRBY-UZLBHIALSA-N 429.358 6.277 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1ccc(O)c(Cl)c1 698451702 NKLAYASDVNSMAR-INIZCTEOSA-N 437.721 5.814 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1ccc(C(F)F)cc1 698457710 QWKXTQKJMOSMRB-QGZVFWFLSA-N 437.284 6.393 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 698897683 ZLEJKVZEBTWMEV-MHECFPHRSA-N 429.561 5.276 30 10 IKEE CC(C)[C@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 698937578 ANVSFYQIBNOKBF-QFBILLFUSA-N 435.540 5.256 30 10 IKEE CCCCCCCCC[C@H](NCC)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 702480874 JRLVMOZMIRXEIH-DQEYMECFSA-N 447.708 6.131 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@@H]2C[C@@H](CN2C(=O)OC(C)(C)C)C1 709361092 CXGDYZJMXAJIRS-WYEJZRMESA-N 441.572 5.418 30 10 IKEE Cc1ccc([C@@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)c(C)c1Br 719525196 QNKCNXHNVWCFFJ-QGZVFWFLSA-N 435.387 6.129 30 10 IKEE C/C=C1/C(=O)[C@H]2[C@@H](CC[C@]3(C)[C@H]([C@@H](C)CCC(=O)OC)CC[C@H]23)[C@@]2(C)CC[C@H](O)C[C@H]12 1307249649 SXDZXAFUWCERDJ-KSFYXSPWSA-N 430.629 5.331 30 10 IKEE CC1(C)Cc2ccc([C@H](C#N)OC(=O)[C@H]3[C@H](/C=C(/Cl)C(F)(F)F)C3(C)C)cc2O1 1615199318 FWQQOTTYQXSXDD-ZJDIZCOPSA-N 427.850 5.465 30 10 IKEE O=C1/C(=C\c2cccc(F)c2)S/C(=N/c2cccc3ccccc23)N1C[C@H]1CCCO1 1615562700 PUHJTEZAQSLHBG-VNHVJOIGSA-N 432.520 5.762 30 10 IKEE CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)NC(C#N)(Cc1ccccc1)Cc1ccccc1 1616048032 RQKZHRZGQKCIGO-TZIWHRDSSA-N 427.375 5.442 30 10 IKEE CCCCOc1ccc(/C=C2\SC(=Nc3ccncc3Cl)N(C)C2=O)cc1OC 1772732101 CKIOKWDMKVTGSS-MPZUNYIRSA-N 431.945 5.156 30 10 IKEE Cc1ccc(-c2nn(-c3ccccc3F)cc2/C=N\NC(=S)Nc2ccccc2)cc1C 1857810397 FXERSFJGNJPXAO-DICXZTSXSA-N 443.551 5.616 30 10 IKEE Cc1ccc(NC(=O)Oc2cccc3c(NC(=O)c4cccc(C#N)c4)cccc23)cc1C 1858780184 NYMMZOBCHAMHOC-UHFFFAOYSA-N 435.483 6.192 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccccc2)c1)C(=O)Nc1cc(Cl)cc(Cl)c1 1860730014 VLDRJBMVPCWUAR-MDZDMXLPSA-N 426.299 5.793 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)c1ccccc1OCC(C)C 1861359232 OQVYXCMJBZEKBB-SANMLTNESA-N 432.649 5.877 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1Cl 1862380031 RCMKFFCPYUKXFI-LJQANCHMSA-N 444.339 5.833 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2Cl)=C(O)C(=O)N1Cc1ccco1 1862380185 WBDOMPRAKLEIQZ-HXUWFJFHSA-N 442.298 5.673 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@H]1c1ccc2c(c1)CCCN2C 1862394157 JOJQJKSNTUDHHX-RUZDIDTESA-N 444.575 5.176 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(O)cc1 1862430120 CLKBAJODNBYPGJ-MMACOIQUSA-N 425.912 5.203 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(O)c(OCC)c1 1862437820 ZSGATTOSQZKRIG-NRFANRHFSA-N 443.927 5.213 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccccc1C 1862444236 YTEGKNVNOCPNKM-JOCHJYFZSA-N 441.955 5.434 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(F)c1 1862444729 GBUQELHWOJYCCJ-NYHFZMIOSA-N 435.882 5.819 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1c(Cl)cccc1Cl 1862466806 AYFMXNHQAKLPFB-KRWDZBQOSA-N 444.236 5.399 30 10 IKEE COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)ccc1O 1862480755 NWGLCFZNFKUCMP-XDHUDOTRSA-N 443.499 5.049 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccc(F)cc2)c1 1862502421 ZMMGCZUDXOJSQM-QHCPKHFHSA-N 433.454 5.360 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccc2C)ccc1F 1862507161 FLWKDTFJAALBRD-QHCPKHFHSA-N 433.454 5.360 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2ccccc2)ccc1F 1862508215 YZDKXUITZBUPMI-XMMPIXPASA-N 429.491 5.345 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862516554 RGLAWRHIYDQHLL-DEOSSOPVSA-N 444.531 5.478 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccc(C)cc2)cc1 1862532326 HCTVCMKGQMUMQJ-DEOSSOPVSA-N 429.491 5.475 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2cccc(C)c2)cc1 1862534714 XCMNLCWSKUOSDG-DEOSSOPVSA-N 445.946 5.989 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2ccc(C)cc2)cc1 1862534900 YNSVGDNJTKIOQT-SANMLTNESA-N 439.555 5.769 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccccc2Cl)cc1 1862554893 NJJFJLNXYYEZQR-QFIPXVFZSA-N 432.907 5.009 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(C(C)(C)C)cc2)=C(O)C(=O)N1Cc1cccs1 1862612772 AIHFEIKQENAXPL-HSZRJFAPSA-N 445.584 6.133 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(O)c2)cc1 1862612860 BMVZDMSADPSGOK-JOCHJYFZSA-N 431.488 5.061 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1c(F)cccc1Cl 1862619758 BSOPIEOROMVDDY-NRFANRHFSA-N 443.946 6.155 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2cccc(F)c2)cc1F 1862637856 NUUMCDNBCGOIIO-JSVDNDDVSA-N 441.474 5.130 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862668119 QYSWBEQWVGQSIH-SZNDQCEHSA-N 446.374 6.494 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccc(Br)cc2)cc1 1862670574 XEDOCJZZAALSPS-FQEVSTJZSA-N 442.353 5.559 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccccc1F)c1cccc([N+](=O)[O-])c1 1862735640 PGPDWUFDRCOJOE-NRFANRHFSA-N 438.455 5.035 30 10 IKEE N#Cc1ccc(N2C(=O)C(Nc3ccc(Cl)cc3)=C(c3ccccc3Cl)C2=O)cc1 1863077433 MPVIWPFGHKEUMQ-UHFFFAOYSA-N 434.282 5.262 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(OCC(C)C)cc2)=C(c2cccc3ccccc23)C1=O 1863221689 SNUUZIQAGZAAGW-UHFFFAOYSA-N 426.516 5.253 30 10 IKEE C=CCN1C(=O)C(Nc2cc(Cl)ccc2Cl)=C(c2ccc(OCCC)cc2)C1=O 1863347151 MZDDWYRBMYALJG-UHFFFAOYSA-N 431.319 5.160 30 10 IKEE CCCCCCCCNC1=C(c2ccc(Cl)cc2)C(=O)N(Cc2ccccc2F)C1=O 1863531889 QFJHMPQINSZXFB-UHFFFAOYSA-N 442.962 5.709 30 10 IKEE C/C(=C\c1ccccc1Cl)C(=O)N[C@@H](C(=O)Nc1ccccc1C#N)c1ccccc1 1866819448 JHPMFXMPNCBKCR-CZTSOZTGSA-N 429.907 5.111 30 10 IKEE C=CCN(CC=C)c1cc(N(Cc2ccccc2)C(C)C)nc(-c2ccc(OCC)cc2)n1 1867998762 QOZLTPLEIPJUMD-UHFFFAOYSA-N 442.607 6.136 30 10 IKEE O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(-c2ccc(F)c(F)c2)[nH]n1 1868178018 IRPRCUHTFRANOM-UHFFFAOYSA-N 435.274 5.645 30 10 IKEE CC(C)c1nc(Nc2ccc(C#N)cc2)cc(N2CCC(=O)c3cc(C(C)(C)C)ccc32)n1 1868241990 FJZGZRYRPSQJGN-UHFFFAOYSA-N 439.563 6.237 30 10 IKEE N#Cc1nnn(-c2ccc(C(F)(F)F)cc2)c1NC(=O)c1ccccc1-c1ccccc1 1870146912 OKKPUYLFNIBRMU-UHFFFAOYSA-N 433.393 5.077 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccccc2Cl)cn1Cc1ccccc1 1870339531 CXYOBEGFTOAFKM-UHFFFAOYSA-N 434.967 5.303 30 10 IKEE CCCCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CN1CCC(C)CC1 1870353294 UBDGDVPRLAJIOD-UHFFFAOYSA-N 432.693 6.646 30 10 IKEE CCCCCCCCCCn1cc(OCc2ccc(OC)c(F)c2)c(=O)cc1CN(C)C 1870384728 PTGMQQJPCKPZEN-UHFFFAOYSA-N 446.607 5.777 30 10 IKEE CCCCCCCOc1cn(CCN(C)C)c(CN(CCCC)CCCCCC)cc1=O 1870414412 OLVTUBQXPLFUCW-UHFFFAOYSA-N 449.724 5.942 30 10 IKEE C=CCn1cc(OCc2c(Cl)ccc(Cl)c2Cl)c(=O)cc1CN1CCCC1 1870430785 IFGIERAGFRMYBD-UHFFFAOYSA-N 427.759 5.169 30 10 IKEE C=CCOc1cn(CCc2ccccc2)c(CNc2ccc(C(F)(F)F)cc2)cc1=O 1870809912 BLUSFWGMEALGBA-UHFFFAOYSA-N 428.454 5.287 30 10 IKEE C=CCn1cc(OCc2ccccc2)c(=O)cc1CNc1ccc(N2CCC(C)CC2)cc1 1870894760 MNFOFCAQMCZNDT-UHFFFAOYSA-N 443.591 5.462 30 10 IKEE CCN(CC)CCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1sccc1C)C3=O 1871348503 IWRARZCETWNGFX-STZFKDTASA-N 440.609 5.255 30 10 IKEE Cc1cc(OC(=O)COc2ccc(Cl)cc2Cl)cc2c1C(=O)/C(=C/c1ccco1)O2 1871367342 HBQRWPAFRMHJHI-OCKHKDLRSA-N 445.254 5.495 30 10 IKEE Cc1c(OC(=O)c2cc(Cl)ccc2Cl)ccc2c1O/C(=C\c1ccncc1)C2=O 1871380848 GDLQRNLYXBQXOV-GRSHGNNSSA-N 426.255 5.532 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)c1 1871387535 ALESKJDHHXAVAD-IGBUCQDTSA-N 426.468 5.867 30 10 IKEE COC(=O)c1ccc(COc2ccc3c(c2C)O/C(=C\c2ccc(C(C)C)cc2)C3=O)o1 1871438740 PGSPMLJAGXIURG-QRVIBDJDSA-N 432.472 5.693 30 10 IKEE CCOC(=O)c1ccc(COc2cc(C)c3c(c2)O/C(=C\c2ccc(OCC)cc2)C3=O)o1 1871439184 MJNQFRKFBIMUKE-QRVIBDJDSA-N 448.471 5.359 30 10 IKEE COc1ccc(Cl)cc1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(C)cc1)C2=O 1871452889 VDKXCPARQASAEX-KSEXSDGBSA-N 449.890 5.291 30 10 IKEE Cc1cc(C)c(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2C)C3=O)c(C)c1 1871458862 NZPNXZUOPGNLDE-OYKKKHCWSA-N 441.527 5.862 30 10 IKEE Cc1c(OCC(=O)Nc2ccccc2)ccc2c1O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 1871460395 KRMRWIZHJVRHCH-JLPGSUDCSA-N 441.527 5.926 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)cc1)[C@@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1871776638 OMJMAKXAOQVJJG-RDPSFJRHSA-N 442.625 5.232 30 10 IKEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(Nc2ccccc2)cc1)S(=O)(=O)CCCC 1872151383 KJRTYFULFDMFCG-QHCPKHFHSA-N 443.613 5.155 30 10 IKEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)CNC(=O)c3ccc(Cl)cc3Cl)n2)cc1 1872769710 AJFHPJCCTLQGTJ-INIZCTEOSA-N 444.343 5.032 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)c2cccc3ccccc23)n1 1872777542 QBOHNZDOUISOHI-QFIPXVFZSA-N 440.568 6.759 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)n2)c1C 1872781277 RGGVGEAHLHJLOH-NFBKMPQASA-N 446.616 6.811 30 10 IKEE CCCCN(CCCC)CC(=O)[C@@H](C#N)c1nc(-c2ccc(OCC)cc2)c(C)s1 1872799844 MJIBCKOHIYTOBD-OAQYLSRUSA-N 427.614 5.596 30 10 IKEE CCCCCCCCN1C(=O)C(NC2CCCCC2)=C(c2ccc(OC(C)C)cc2)C1=O 1873146788 WPRUZQXMBGYBMP-UHFFFAOYSA-N 440.628 5.837 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@H](CC)CCCCC)=C(c2ccccc2)C1=O 1873160284 DAWQIXNKFRUGAD-XMMPIXPASA-N 440.672 6.856 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C)cc2[N+](=O)[O-])=C(c2ccccc2C)C1=O 1873305463 GBVYQRICQFGJCK-UHFFFAOYSA-N 449.551 5.764 30 10 IKEE CCCCCCCCNC(=O)c1cc2c(N3C[C@@H](C)C[C@@H](C)C3)ncnc2n1CCC 1873571944 LYJUVQKBCUVJQF-BGYRXZFFSA-N 427.637 5.414 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(OCc3ccccc3)c2)cc2c(NCCC)ncnc21 1873601135 KSPSTMBMDKVZEE-UHFFFAOYSA-N 441.535 5.271 30 10 IKEE COc1cc(/C=N/Nc2ccnc(Cl)n2)ccc1OCc1ccc(Cl)c(Cl)c1 1873795471 LDFOCTRKUOWRSX-YSURURNPSA-N 437.714 5.470 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1cn(C)c2ccccc12 1874250129 VKNCQGXODPLDDX-YZSQISJMSA-N 447.608 5.474 30 10 IKEE C=CCSc1nnc(COc2ccccc2OC)n1/N=C/c1ccc(Cl)cc1Cl 1874290298 PAHFBCOIPQRSJC-FSJBWODESA-N 449.363 5.333 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2)n1/N=C/c1cn(C)c2ccccc12 1874316634 DESVOPSOVWASMD-WGOQTCKBSA-N 445.592 5.332 30 10 IKEE Fc1ccc(/C=N/n2c(CCOc3ccccc3)nnc2SCc2ccccc2)cc1 1874346575 WBOBPOJCYBQTEQ-YZSQISJMSA-N 432.524 5.213 30 10 IKEE CCc1ccc(/C=N/n2c(Cc3ccc(C)cc3)nnc2SCCc2ccccc2)cc1 1874389753 DBAMMVHWEFUJLE-VFCFBJKWSA-N 440.616 5.957 30 10 IKEE Fc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2ccccc2Cl)cc1 1874415947 PGISGXSXLRUDDI-CVKSISIWSA-N 436.943 5.836 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2F)n1/N=C/c1c(F)cccc1Cl 1874438391 CRVIWPQPFWIGSI-BRJLIKDPSA-N 434.943 5.973 30 10 IKEE CC(C)(C)c1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C(F)(F)F)cc1 1874459400 LMDHJHJQTBSZCD-RPPGKUMJSA-N 436.478 5.908 30 10 IKEE CCc1nnc(SCc2cccc(F)c2)n1/N=C/c1cc(Br)ccc1F 1874524568 UXGGKYRKNVKKES-LSHDLFTRSA-N 437.313 5.056 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(OC)cc1 1874574757 DUORRPXMNOFDTM-FOCLMDBBSA-N 445.559 5.772 30 10 IKEE O=C(/C=C/c1ccccc1OCc1c(Cl)cccc1Cl)c1ccc2c(c1)OCO2 1874582880 LNLYLFLYBJHYMT-CSKARUKUSA-N 427.283 6.197 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C(C)C)cc2)c1OCC(=O)NC1CCCCC1 1874583984 QAIRMWULLSONEY-WUKNDPDISA-N 435.564 5.542 30 10 IKEE C=CCOc1ccc(Br)cc1/C=C/C(=O)c1cc(C(C)C)c(OC)cc1C 1874585258 PITQJHZVXDHYRD-VQHVLOKHSA-N 429.354 6.350 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)c1OCCc1ccccc1 1874592197 ROVWILLWBANKPX-BMRADRMJSA-N 438.523 6.375 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3c(C)cccc3C)c2)cc1 1874594047 PCLAZTGFERYQQM-RVDMUPIBSA-N 443.543 5.788 30 10 IKEE CCOC(=O)c1ccc(COc2cc(/C=C/C(=O)c3ccc(F)cc3F)ccc2OC)o1 1874594473 LXRPOTBMODEHCO-RUDMXATFSA-N 442.414 5.218 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OCc1ccccc1Cl 1874603238 MDHYFIWJFCHBQU-GXDHUFHOSA-N 428.915 6.977 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1F 1874611002 WWKTWQAHBSZCPQ-IZZDOVSWSA-N 441.842 5.871 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)c1OCc1ccc(Cl)cc1 1874617154 MYJCHMGRFRTOFE-DHZHZOJOSA-N 441.354 7.094 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OCc1ccc(F)cc1 1874625554 KKLFGMAQEHVYQX-LFYBBSHMSA-N 428.862 6.492 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OCC(=O)OCC(C)C)c(Cl)c1 1874629542 IEJKEMRVJJMQOU-SOFGYWHQSA-N 430.928 5.440 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1OC(=O)c1cccs1 1874693253 VSBDHNLNDOBPBO-OQLLNIDSSA-N 440.520 6.539 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cncc(C)c3)c2)cc1 1874695722 PILKHJLRDCYRNA-UKTHLTGXSA-N 429.516 5.857 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1OC(=O)COc1ccccc1 1874705824 BOXAQODUTKXIAX-MHWRWJLKSA-N 444.527 5.873 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)CC(C)C)c2)c(OCC)c1 1874714822 PKPYIYOARUZGKZ-XYOKQWHBSA-N 426.509 5.340 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC(=O)c2cccc([N+](=O)[O-])c2)c1 1874715680 GVOVTQKVIZZKKN-WYMLVPIESA-N 443.499 6.316 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1cccc(Cl)c1 1875095728 DJVBXSLOWIRCSE-UKTHLTGXSA-N 442.898 6.617 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)ccc1OC(=O)c1ccc(CC)cc1 1875100717 JVWMATUPWFUPOB-RVDMUPIBSA-N 430.500 5.772 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C(F)(F)F)c(Br)c1)c1ccc(Cl)cc1 1875125943 IXYZMLVRVMINBY-LREOWRDNSA-N 433.607 5.466 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)[C@@H](C)c1ccccc1 1875131600 GITUJJFOHXMHTG-PKHIPVCBSA-N 444.527 5.926 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2OC)c1 1875136630 TUWTYCCXUMQVFF-NTEUORMPSA-N 430.500 5.447 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3C)c(Cl)c2)c1 1875145208 FJMSGMIVFZKMAE-DHZHZOJOSA-N 436.891 5.781 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 1875148530 GXFWAPDXBHMQET-VXLYETTFSA-N 442.555 6.427 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1[N+](=O)[O-] 1875166618 AEYYIFSQOZHMHX-JLHYYAGUSA-N 439.508 5.992 30 10 IKEE Cc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2Br)c1 1875175578 WKALDLDYLDORIN-DHZHZOJOSA-N 449.344 6.490 30 10 IKEE N#Cc1ccc(OCc2c(Br)cccc2Br)c(Br)c1 1889066628 LGPNPVGOUUAUSX-UHFFFAOYSA-N 445.936 5.425 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cccc(Oc4ccccn4)c3)ccc21 1890896913 RGLGTWMJTVKWPI-UHFFFAOYSA-N 443.503 5.064 30 10 IKEE C#Cc1ccccc1NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1901520755 LOEZADCFGWAXOY-AREMUKBSSA-N 438.527 5.170 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1Cc2ccccc2N1C(=O)OC(C)(C)C 1922076205 CSMQNJNYRYYCLP-LOSJGSFVSA-N 436.596 5.494 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1ccc(Cl)c(NC(=O)OC(C)(C)C)c1 1922087273 XLLIGMDJBAPIDH-JOCHJYFZSA-N 430.976 6.111 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)[C@@H]1C[C@@H]2C[C@@H]2C1 2004665860 PUZDBZLUPRAJCA-JTKSJCOOSA-N 428.617 5.067 30 10 IKEE C=CCCCCCC[C@@H](NCC)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2026015036 PMSANASKCPMXJA-RPWUZVMVSA-N 431.665 5.516 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc([C@@](C)(C#N)N(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)c1 2027942604 WEOMVKIWLYYCHK-YADARESESA-N 445.560 5.188 30 10 IKEE C=CCN(CC[C@@H](NCC)c1c(C)sc(C)c1Br)C(=O)OC(C)(C)C 2037959795 GCQLOFWXRZKWCC-OAHLLOKOSA-N 431.440 5.591 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCCN(Cc3ccccc3)C2)c1 2050133593 NBSAHEBDJYHGLN-AREMUKBSSA-N 435.568 5.385 30 10 IKEE C=C1CC[C@@H](O)CC1=C[C@H](O)[C@]1(O)CCC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]12 2069535163 KXILCRGOVVVVRF-WTSIDORZSA-N 430.673 5.807 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C1(NC(=O)OC(C)(C)C)CCC(CC)CC1 2073932878 CJLSZTQIOZXTJI-CRIAOJQNSA-N 444.660 5.991 30 10 IKEE CCOc1ccc([C@@H](n2nc(C(F)F)c(C=NO)c2Br)C2(C)CC2)cc1 2080119162 GMXGFNFNTWPDBT-OAHLLOKOSA-N 428.277 5.180 30 10 IKEE C#CCCCC[C@H](NCCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134732174 QXEKXZMBVWVREW-NDEPHWFRSA-N 441.615 7.079 30 10 IKEE CC1(C)CC2(CC2)C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)C1 2146891233 OBYLPNPRGMMCOZ-JOCHJYFZSA-N 433.390 6.443 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(CNc3ccc(C#N)c(Br)c3F)CCC[C@H]12 2162400973 AICQEHSHPUZVTE-MGPUTAFESA-N 438.341 5.051 30 10 IKEE CC(C)(C)OC(=O)NCc1ccc(CNc2cc(Br)cc(F)c2C#N)cc1 2163707796 LNNHSADECXCLRM-UHFFFAOYSA-N 434.309 5.097 30 10 IKEE C[C@H](CC1CCN(c2cc(Br)cc(C#N)c2)CC1)N(C)C(=O)OC(C)(C)C 2203597423 WRYPYVQQJKQPIQ-OAHLLOKOSA-N 436.394 5.183 30 10 IKEE C=CC[C@@H](NCCC)c1sc(Br)c(Br)c1Br 2212201277 VLKJYVYZHGQLHY-SSDOTTSWSA-N 432.019 5.652 30 10 IKEE CC1(C)OB(c2csc(CN(Cc3ccccc3)CC3CCCCC3)c2)OC1(C)C 2214519384 DBZWEIDRWUDRDU-UHFFFAOYSA-N 425.447 5.630 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@@H](C)CN(C(=O)OC(C)(C)C)[C@H]1C 2220391509 KRTZNXFNNWYHQO-MIAKESKMSA-N 443.588 5.664 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@H](CNC(=O)OC(C)(C)C)c1ccccc1)NCC 2224059311 KSZJVHFBABFUMX-RPBOFIJWSA-N 438.612 5.436 30 10 IKEE Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N1CCC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2229034179 KNIBUWZXCKTSHI-KRWDZBQOSA-N 444.381 5.040 30 10 IKEE C=CCC[C@H](COc1ncc(C(F)(F)F)cc1Br)NC(=O)OC(C)(C)C 2232220764 WQMXMKFPDZHBFD-GFCCVEGCSA-N 439.272 5.101 30 10 IKEE CCCCN(C[C@@H](C#Cc1ccccc1Br)NCCC)C(=O)OC(C)(C)C 2235727170 JXTAVLRXIYYCLZ-LJQANCHMSA-N 437.422 5.206 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H](CC)CCNC(=O)OC(C)(C)C 2235734831 XGEVPKUQEQLOJT-FXAWDEMLSA-N 437.422 5.110 30 10 IKEE C#CCCCCC[C@@H](NC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237415728 CPKSNVZYQREDLY-UXHICEINSA-N 437.422 5.057 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@H](C#N)c1sc(Cl)cc1Br 2250681697 RWJGWUUCXMOEDV-GFCCVEGCSA-N 447.807 6.227 30 10 IKEE C=CCCC1([C@@H](O)c2ccc(Cl)c(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2266235890 ORVYAAFSNMIUTM-INIZCTEOSA-N 448.760 5.478 30 10 IKEE C=CCCC1([C@H](N)Cc2ccc(Cl)c(Br)c2)CN(C(=O)OC(C)(C)C)C1 2266315200 LKUQBAAUJRASBX-QGZVFWFLSA-N 443.813 5.176 30 10 IKEE C=CC[C@]1(COc2c(N)cccc2Br)CCCCN1C(=O)OC(C)(C)C 2272096345 OEYPOJKWIOOSGW-HXUWFJFHSA-N 425.367 5.146 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NC)c1cc(Br)cc(C(C)(C)C)c1 2273003217 MBOQFTUYCKAOJC-QZTJIDSGSA-N 425.411 5.477 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)c1cc(Cl)cc(Br)c1 2275151490 SUCUVPQRZLWKQW-FQEVSTJZSA-N 439.733 5.408 30 10 IKEE C=C(C(C)(C)C)[C@](C)(OCCCN)c1cc(Br)c(Br)s1 2293364019 LTURSOYAOITBKF-HNNXBMFYSA-N 425.230 5.456 30 10 IKEE CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cccc(Oc3ccccc3)c2)C1=O 2293571186 PJRDDFLGOUFKBY-UHFFFAOYSA-N 443.524 6.023 30 10 IKEE O=C1C(=Cc2cccc(O)c2)SC(=Nc2ccccc2)N1CCc1c[nH]c2ccccc12 2294288640 QLBBFNNDICRPKB-UHFFFAOYSA-N 439.540 5.720 30 10 IKEE C[C@H](NC(=O)OC(C)(C)C)c1ccc([C@H](O)C#Cc2cccc(Br)c2)cc1 2296218849 IXFBUMMAUYJQJO-MGPUTAFESA-N 430.342 5.120 30 10 IKEE CC(C)[C@@H](CCNC(=O)OC(C)(C)C)CC[C@@H](O)C#Cc1ccc(Br)cc1 2296277962 YSCOMSDNEFOQCD-QUCCMNQESA-N 438.406 5.129 30 10 IKEE COc1ccc(OC)c(C=C2SC(=Nc3cccc(C)c3)N(c3cccc(C)c3)C2=O)c1 2296977180 YVSUAAIWHCGNFG-UHFFFAOYSA-N 444.556 6.129 30 10 IKEE O=C(C=CNc1ccc(Oc2ccccc2Cl)cc1)c1ccc(-c2ccccc2)cc1 2297454258 GWJRFJYXWFNIAX-UHFFFAOYSA-N 425.915 7.608 30 10 IKEE O=C(C=Cc1ccccc1OC(=O)c1ccc2c(c1)OCO2)c1ccc(-c2ccccc2)cc1 2314429570 KBFXHGLLRYDVQF-UHFFFAOYSA-N 448.474 6.198 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2Cl)Oc2cc(OCc3ccc(F)cc3Cl)ccc21 2314438003 DLNKDQSEYZOTAN-UHFFFAOYSA-N 449.692 6.981 30 10 IKEE O=C1C(=Cc2c(F)cccc2Cl)Oc2cc(OCc3ccc(Cl)cc3Cl)ccc21 2314438466 UEJPDCDHSUXTKD-UHFFFAOYSA-N 449.692 6.981 30 10 IKEE CCOc1ccc2c(c1)OC(=Cc1ccc(OC(=O)c3ccccc3C)c(OC)c1)C2=O 2314527047 BWMMNSXOKCKVTI-UHFFFAOYSA-N 430.456 5.238 30 10 IKEE CCOc1cc(C=NNc2ccc(Br)cc2)ccc1OCc1ccccc1 2321717995 FESDZYDHFZFPJF-UHFFFAOYSA-N 425.326 5.873 30 10 IKEE CC(C)(C)Cc1nnc(S)n1N=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2321937328 ZHGVWDJFQBPNTG-UHFFFAOYSA-N 449.407 5.923 30 10 IKEE Cc1ccccc1COc1ccccc1C=Nn1c(S)nnc1Cc1ccc(F)cc1 2321978832 GUUUJQPFMIUQNE-UHFFFAOYSA-N 432.524 5.066 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)O3)CN([C@@H](C)c1ccccc1)CO2 2322092536 IAEZRKBWJHLPBE-KRWDZBQOSA-N 442.471 5.433 30 10 IKEE CCOc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN([C@H](C)c1ccccc1)C3 2322092549 KCJICCJJKFFWRL-LJQANCHMSA-N 441.527 5.923 30 10 IKEE Cc1ccc(OCc2nnc(S)n2N=Cc2c(Cl)cccc2Cl)c(C(C)(C)C)c1 2322260387 KASSQWLLPTVMAG-UHFFFAOYSA-N 449.407 5.941 30 10 IKEE COc1ccc(CN2COc3c(cc4c(c3C)OC(=Cc3ccccc3Cl)C4=O)C2)cc1 2322305258 GRUNBNGCZJOZTJ-UHFFFAOYSA-N 447.918 5.625 30 10 IKEE CCCCCCN1COc2c(cc3c(c2C)OC(=Cc2cn(C)c4ccccc24)C3=O)C1 2322362754 QLNLNEZRECFHDH-UHFFFAOYSA-N 430.548 5.835 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc(Cl)cc2C=CC(=O)c2ccc(C)cc2C)c1 2322572847 APRKGFWNXIIANT-UHFFFAOYSA-N 447.962 6.487 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OCc1nc(O)c2ccccc2n1 2323160977 WPHCIVFZMNGEFD-UHFFFAOYSA-N 440.499 5.436 30 10 IKEE Cc1cccc(NC(=O)COc2cccc(C=CC(=O)c3cc(C(C)(C)C)ccc3C)c2)c1 2323303555 APADUXKEJFYZBZ-UHFFFAOYSA-N 441.571 6.515 30 10 IKEE C=C(C)COc1c(Br)cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1OCC 2323379273 BNBPKROVSUHRSH-UHFFFAOYSA-N 446.297 5.607 30 10 IKEE Cc1cc(OC(=O)C=Cc2ccc(C(C)C)cc2)cc2c1C(=O)C(=Cc1cccs1)O2 2323503476 BCTPGXBQYBHGLE-UHFFFAOYSA-N 430.525 6.415 30 10 IKEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1cccc(C)c1 2323675264 VVCDPJQCZXWVRP-UHFFFAOYSA-N 433.460 5.396 30 10 IKEE CCCCCCCCNC(=O)[C@@H](NC(=O)C=Cc1ccc(OCC)cc1)c1ccccc1 2323816202 RJNZKZQYEVCGSU-SANMLTNESA-N 436.596 5.433 30 10 IKEE CCCOC(=O)COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1Br 2323854777 ZQCCUYJYBOLYKO-UHFFFAOYSA-N 431.326 5.294 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2[N+](=O)[O-])cc1 2323858185 OLTCZZGFWGVHGC-UHFFFAOYSA-N 444.487 5.434 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2C)C3=O)cc1Cl 2324352076 GPEHKLPBFJJJNU-QGZVFWFLSA-N 447.918 5.979 30 10 IKEE Cc1ccc(OCCCCOc2cc(C)c3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1 2324588714 LPUBZZUHLHXNFE-UHFFFAOYSA-N 448.946 6.811 30 10 IKEE Cc1cc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1cccs1)O2 2324609974 PDVDUJYLNWHTNS-CQSZACIVSA-N 439.920 5.732 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(Cl)c(Cl)c3)n2)cc1F 2324628160 PHYOYCCQHNKRAU-AWEZNQCLSA-N 447.318 6.154 30 10 IKEE COc1ccc(OC)c(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)c1 2324649245 ORLPIZNTAWAIGZ-NRFANRHFSA-N 432.545 5.840 30 10 IKEE COc1ccc(C=C2Oc3cc(OCc4cc(C)c(C)cc4C)cc(C)c3C2=O)c(OC)c1 2324765126 GEIMAUSPBAOZEV-UHFFFAOYSA-N 444.527 6.133 30 10 IKEE CCCOC(=O)[C@@H](CC)Oc1cc(C)c2c(c1)OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2325092347 AMOHEZXTCJZZRQ-OAQYLSRUSA-N 436.548 6.019 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC(=O)c1ccccn1 2325753771 JRWCVMVOQSBRLG-UHFFFAOYSA-N 445.515 5.646 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1OC(=O)CC1CCCCC1 2325755093 XPJSTRXKTVAXBB-UHFFFAOYSA-N 436.548 6.093 30 10 IKEE COc1cccc(OCC(=O)Oc2cccc(C=CC(=O)c3c(C)cc(C)cc3C)c2)c1 2325764941 XHGZYQWTOWFQQU-UHFFFAOYSA-N 430.500 5.501 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(OC)c(Cl)cc2OC)cc(Br)c1O 2325796622 QFOQDCLHQUZYPG-UHFFFAOYSA-N 441.705 5.120 30 10 IKEE CC(C)(C)c1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccccn2)cc1 2326341973 MCFGCHJRGJCMPK-UHFFFAOYSA-N 441.604 5.736 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(CCc3cccc4ccccc34)nnc2SC)cc1 2326567510 HPCKJRBSOLJSBY-UHFFFAOYSA-N 443.620 5.667 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2C)n1N=Cc1cccc(OC)c1 2327092457 YNHHDFOSUKILQV-UHFFFAOYSA-N 436.581 5.157 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1cccc(OCCC)c1 2327593164 PDPTXNAJSOZDRA-UHFFFAOYSA-N 442.972 5.460 30 10 IKEE Cc1ccccc1C=Nn1c(CCc2ccc(Cl)cc2)nnc1SCc1ccccc1 2328056440 MSAXSMGOVLBSOA-UHFFFAOYSA-N 447.007 6.200 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1cccc2ccccc12 2328567097 NMSKKKNHXWDUPS-UHFFFAOYSA-N 442.588 5.971 30 10 IKEE COc1ccc(CCc2nnc(SCCc3ccccc3)n2N=Cc2ccccc2)cc1 2328578466 SBOJDGUJVRCMHN-UHFFFAOYSA-N 442.588 5.289 30 10 IKEE C=C(C)CSc1nnc(COc2cccc(C)c2C)n1N=Cc1ccc(C(C)(C)C)cc1 2328846811 OUONOXOREJZFJE-UHFFFAOYSA-N 448.636 6.322 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3C)n2N=Cc2cccnc2)c1 2329477811 RMDPZBSJLUGLAP-UHFFFAOYSA-N 427.577 5.250 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(F)cc1 2329487319 MTWXSQQCEFQNJD-UHFFFAOYSA-N 448.542 5.824 30 10 IKEE Cc1ccccc1C=Nn1c(CCc2cccs2)nnc1SCc1cccc(F)c1 2329647476 OQNPGGLQDGLPOC-UHFFFAOYSA-N 436.581 5.747 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3F)n2N=Cc2cccc(O)c2)c1 2329717256 LSPRFOKURANUGH-UHFFFAOYSA-N 432.524 5.197 30 10 IKEE Cc1ccc(C=Nn2c(Cc3ccccc3F)nnc2SCc2cccc(F)c2)cc1 2329722562 SXSLXODSJKXHKC-UHFFFAOYSA-N 434.515 5.630 30 10 IKEE O=[N+]([O-])c1ccc(C=Nn2c(Cc3ccccc3F)nnc2SCc2ccccc2)cc1 2329741022 IZXWHFCZKYPJQH-UHFFFAOYSA-N 447.495 5.091 30 10 IKEE C=C(C)CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1ccc(OCCCCC)cc1 2330108482 MUCBXRLECLTCQE-OAQYLSRUSA-N 448.636 6.549 30 10 IKEE Cc1cccc(CSc2nnc(-c3cccs3)n2N=Cc2cn(C)c3ccccc23)c1 2330549291 JHUYTDJUNHCSLS-UHFFFAOYSA-N 443.601 5.981 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C(F)(F)F)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 2330810384 CCRMVGWKHYXPBM-UHFFFAOYSA-N 434.153 5.265 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)c1sccc1C 2331086476 TZHCKLAVXRHXBD-UHFFFAOYSA-N 444.455 5.467 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OC(=O)Cc1ccc(Cl)cc1 2331135944 CEKNYNFIEWMJSD-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 2331330770 GXGOALDEVXBTND-UHFFFAOYSA-N 442.555 6.725 30 10 IKEE Cc1ccccc1CSc1nnc(C(C)(C)C)n1N=Cc1cccc(Br)c1 2331371958 WPGAYDUTTUEQCC-UHFFFAOYSA-N 443.414 5.821 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc3ccccc23)n1N=Cc1ccccc1Cl 2331403000 PFVRGBALUBFDHK-UHFFFAOYSA-N 434.996 6.557 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2Cl)cc1 2331414244 QBFOVQUZSCOSFB-UHFFFAOYSA-N 432.947 7.061 30 10 IKEE Cc1ccc(CSc2nnc(C3CCC3)n2N=Cc2ccc(C(F)(F)F)cc2)cc1 2331480313 GSBROAJPEYOQRK-UHFFFAOYSA-N 430.499 6.047 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1OC 2331659153 HMFVIBYJJXNXOE-UHFFFAOYSA-N 430.928 5.966 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2C(C)C)cc1OCC 2331670109 VMVYBPSZYQZDNT-UHFFFAOYSA-N 438.597 5.682 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)Cc1cccs1 2331779616 KBQSRWQHOUKAFI-UHFFFAOYSA-N 434.557 6.116 30 10 IKEE CC1(C)OB(/C=C/c2ccc(Nc3ccc(Br)cc3Cl)nc2)OC1(C)C 2365062971 SJJUEEIWEAARET-MDZDMXLPSA-N 435.558 5.886 30 10 IKEE CO[C@H](C#CC(=O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1)C1CCCC1 2369621403 MKQILFMGFRVZNR-LJQANCHMSA-N 436.346 5.187 30 10 IKEE CSc1ccc(OCc2ccc(B3OC(C)(C)C(C)(C)O3)c(Br)c2)cc1 2377304278 MSPHOODUGQAESK-UHFFFAOYSA-N 435.192 5.049 30 10 IKEE Cc1c(Cl)cccc1OCc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1 2377329907 NXUITXZKVVZGPN-UHFFFAOYSA-N 437.570 5.289 30 10 IKEE CCc1ccc(OCCCC(=O)Nc2sc3c(c2C#N)CCCC3)c(Br)c1 1984301 DXSPMAHEIRGYEZ-UHFFFAOYSA-N 447.398 5.621 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccccc2OCCOc2cc(C)ccc2C)SC1=S 2977193 JRCYODOUPOAFTO-RCCKNPSSSA-N 425.575 5.148 30 10 IKEE C=CCn1c(CSc2nc3ccccc3s2)nnc1SC/C=C\c1ccccc1 15224386 NJHGNCNYKLXGRB-FLIBITNWSA-N 436.631 6.172 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(CC)cc2)cc1 21234018 GRSFCMFKCAVMOE-MNNSJKJDSA-N 438.571 6.627 30 10 IKEE Cc1ccc(/N=C2/NC(=O)S/C2=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 33567955 RWOPJSZEHLHJMC-UNOMPAQXSA-N 428.435 6.801 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OC(=O)c2ccccc2Br)cc1 34954834 LBSRYRGHLFOJOD-NTCAYCPXSA-N 437.289 5.573 30 10 IKEE Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\Oc3ccc(Cl)cc3C2=O)cc1F 39842483 WIHVXGXFAJSYFJ-FMCGGJTJSA-N 430.866 6.256 30 10 IKEE COc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)c1 41287616 CTNUXJLYJHFWCP-CFRMEGHHSA-N 428.484 5.962 30 10 IKEE Cc1ccc(N/C(=N\C(=O)c2ccc(Cl)cc2)NCCc2c[nH]c3ccccc23)cc1 66437752 WATFROPVJYGVGN-UHFFFAOYSA-N 430.939 5.570 30 10 IKEE CCCCCCCCCCCCONC(=O)Nc1cccc(I)c1 100844575 PKSVXPWFVCZQQZ-UHFFFAOYSA-N 446.373 6.265 30 10 IKEE Cc1ccsc1/C=C1/S/C(=N/c2ccccc2)N(CCc2c[nH]c3ccccc23)C1=O 101649383 QTMBFHSEKDXTSD-VCICBFQVSA-N 443.597 6.385 30 10 IKEE CCCCCCCCCn1c([C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)nc2ccccc21 102105832 MUGOELCCWDVQCI-FQEVSTJZSA-N 447.579 6.036 30 10 IKEE O=C1N/C(=N\c2ccc(O)cc2)S/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)s1 103040624 XFRMKSHAOIFRSJ-VCHYOVAHSA-N 447.368 6.319 30 10 IKEE CCc1ccccc1N/C=C1/C(=O)c2ccccc2N(Cc2ccc(C)cc2)S1(=O)=O 105285829 IBPARMHKZPYYRG-JLPGSUDCSA-N 432.545 5.044 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\n2c(S)nnc2C(CC)CC)cc1OC 169910252 VJAPJLKVAZPZPF-BWAHOGKJSA-N 446.661 6.491 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccc(C)c2)c1 169966230 XPGOWLKDXAFONB-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@H]2c2cccs2)cc1 169985096 QVPZOKVPYNGQPB-JOCHJYFZSA-N 449.528 5.247 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1cccs1)c1cc2ccccc2o1 169985386 WWCAJCTXXGAROK-FQEVSTJZSA-N 435.888 5.931 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3O)[C@@H]2c2cccs2)cc1 169987398 BMSXDJGSGALQFL-LJQANCHMSA-N 425.893 5.198 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2cccs2)c1 169988130 IFGYLIYWKMWLRC-FQEVSTJZSA-N 441.455 5.208 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(OCC)cc2)=C(N2CCC[C@@H](C)C2)C1=O 169993753 QTFQPSCNJUKBSG-HXUWFJFHSA-N 426.601 5.258 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccccc1 170051932 GMRNUZFCWQCOAD-OAQYLSRUSA-N 438.310 6.085 30 10 IKEE Cn1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccccc2)c2ccccc21 170083946 DJKBVGOQROHNCK-RUZDIDTESA-N 448.478 5.707 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccc(OC)c2)c1 170117917 GQJLDSSOKLUACQ-XMMPIXPASA-N 443.499 5.267 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccccc1OC 170125622 IMSBCJSUBOISBK-XMMPIXPASA-N 433.548 5.343 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@H]1c1cccc2ccccc12 170221003 VMNLEHLGNBBPEE-RUZDIDTESA-N 443.543 5.863 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccco2)cc1 170280872 MIYVTDNYTGJXGF-QHCPKHFHSA-N 426.472 5.667 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@H]2c2ccco2)cc1 170283354 PLBWTZHFZRUHIJ-QHCPKHFHSA-N 431.488 5.414 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccc(C)o2)c1 170302339 QUFZOJFQKYMQIR-QHCPKHFHSA-N 431.488 5.386 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1F)c1ccncc1 170382151 CFWSULXAQOQZQF-IBGZPJMESA-N 442.368 5.022 30 10 IKEE CCOC(=O)c1c(N=Cc2ccccc2O)sc(C)c1-c1ccc2cc(OC)ccc2c1 252601940 FEHPCASFCOIWHD-UHFFFAOYSA-N 445.540 6.518 30 10 IKEE O=[N+]([O-])c1cc(Cl)cc(C=Nc2ccc3oc(-c4ccc(F)cc4F)nc3c2)c1O 252628741 SWRWOJLWODZCJT-UHFFFAOYSA-N 429.766 5.791 30 10 IKEE CC(=O)OC[C@@H](C)C1=C(O)C(=O)[C@@]2(C)CC=C(C)CCC=C(C)CC[C@H](O)C(C)=CC[C@H]12 253723784 VRGWBRLULZUWAJ-LEKPLPIFSA-N 444.612 5.757 30 10 IKEE in-vitro CCOc1cc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)ccc1OC 526514568 FDABULQMLKMDAS-DEOSSOPVSA-N 444.462 5.162 30 10 IKEE CC(C)COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(O)cc2)cc1 526517519 RPWJNBCUQFBIFT-VWLOTQADSA-N 440.499 5.356 30 10 IKEE Cc1ccsc1[C@H]1C(c2ccc(Cl)c(Cl)c2)=C(O)C(=O)N1c1cccc(C#N)c1 526521250 LKOCNSRRGMGPQZ-LJQANCHMSA-N 441.339 6.292 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(SCc2ccco2)C1=O 526667947 LXIOMCZKVQCMMF-UHFFFAOYSA-N 449.919 5.243 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1ccc(Br)cc1 526745008 WIVIVCZRXXLICQ-OAQYLSRUSA-N 448.316 5.540 30 10 IKEE CCOc1cc(/C=N\n2c(C)nnc2SCc2ccccc2)cc(Cl)c1OCC 526799140 GSNMUJDLYKYMQT-QRVIBDJDSA-N 430.961 5.212 30 10 IKEE CCOc1cc(/C=N\n2cnnc2SCc2cc(C)cc(C)c2)cc(Cl)c1OCC 526809339 CEJMSKMZERPTAX-ROTLSHHCSA-N 444.988 5.520 30 10 IKEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1c(C)n(C)c2ccccc12 526813845 BEQYVDJMJNKIMA-MYKKPKGFSA-N 444.391 5.868 30 10 IKEE CCCCOc1cccc(/C=N\n2cnnc2SCc2ccc(Br)cc2)c1 526819666 KFLVAALLZXOJPR-QRVIBDJDSA-N 445.386 5.394 30 10 IKEE CCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1ccc(OC(C)(C)C)cc1 526823220 UBHJZTSXLLVRMG-QQXSKIMKSA-N 433.581 5.454 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2ccncc2)cc1 586233647 PEBQATRLPZLNHR-UHFFFAOYSA-N 433.577 5.472 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2cc(Br)c(Cl)s2)c1 698418729 MRPVWIGZJZVEAO-CQSZACIVSA-N 441.778 6.479 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@H]2CCCN2C(=O)OC(C)(C)C)c1 698471503 UOEZGHIIIALDGT-NTKDMRAZSA-N 429.561 5.418 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CC[C@@H]2CCCC[C@@H]2C1 723606047 AZTLDGYNXGASMJ-GSHUGGBRSA-N 433.390 6.443 30 10 IKEE O=C(Oc1ccc(C=Nc2ccc(Cl)cc2)cc1)c1sc2ccccc2c1Cl 1084363225 TWWCTUUCUQEMOU-UHFFFAOYSA-N 426.324 7.178 30 10 IKEE COc1ccc(C=Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)c2ccccc12 1084402968 YYOBUFLOUGQLPK-UHFFFAOYSA-N 444.556 6.017 30 10 IKEE C[C@H]1CCCN(CN2C(=O)C(=Nc3ccc(Oc4ccccc4)cc3)c3ccccc32)C1 1084447103 FZTXOTRDOWSKPN-FQEVSTJZSA-N 425.532 5.636 30 10 IKEE C=CCN1C(=O)/C(=C\c2c(Cl)cccc2Cl)S/C1=N/c1ccc(C(=O)O)cc1 1614234651 WVEJBQSPEYYCHD-ZXMQTSGQSA-N 433.316 5.482 30 10 IKEE Cc1ccc(C(=O)ON=C2C[C@@]3(C(=O)Nc4ccc(C)c(C)c4)CC[C@@]2(C)C3(C)C)cc1 1772722809 VZGVNUPGXNMRGF-KAYWLYCHSA-N 432.564 5.980 30 10 IKEE C/C(C=NN=C1S/C(=C/c2cccnc2)C(=O)N1Cc1ccco1)=C/c1ccccc1 1772759427 RENBDECNXOOQQQ-GPUASBNKSA-N 428.517 5.236 30 10 IKEE Cc1nc(C2CCCCC2)sc1C(=O)Nc1c(C#N)cnn1-c1ccc2ccccc2n1 1859741874 FICSDVMPGKJOQH-UHFFFAOYSA-N 442.548 5.357 30 10 IKEE CC(C)COc1ccc(N(C(=O)c2cccc(C#N)c2)[C@H](C)CCc2ccccc2)cc1 1859994298 UGIRFWJNENDRCW-JOCHJYFZSA-N 426.560 6.261 30 10 IKEE CCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(Cl)cc1Cl 1861559200 FDRSLCMSGOCBLT-RPAADVPWSA-N 425.400 5.474 30 10 IKEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@@H]2c2ccccc2)cc1 1862413259 YORMHZWCSCTQLC-WNSKOXEYSA-N 449.453 5.313 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 1862477653 ZLPYTCFWSAVFJO-URXFXBBRSA-N 435.564 5.941 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccc2ccccc12 1862494097 FORZPQWKMPBLFH-VWLOTQADSA-N 443.543 5.462 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2cccc(Cl)c2)c1 1862561664 WGWWVWYOEKMEBI-JOCHJYFZSA-N 432.907 5.009 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2ccco2)c1 1862662329 HPHOBUMXUPWQPZ-QHCPKHFHSA-N 431.488 5.190 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2F)cc1 1862663531 UBOIHHLQAWMWHM-QHCPKHFHSA-N 430.479 5.123 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2c(F)cccc2Cl)cc1 1862692042 BVMUYYPAZVLPSC-FQEVSTJZSA-N 431.891 5.112 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2CCC(C)C)c1 1862721626 HAWPBYOBPGSVFK-AREMUKBSSA-N 439.555 6.286 30 10 IKEE C=CCN1C(=O)C(Nc2cc(Cl)ccc2OC)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863283068 PVLJDLFGWQQGFR-UHFFFAOYSA-N 437.710 5.033 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccccn2)=C(c2cccc3ccccc23)C1=O 1863583987 WXCYZVQLQWXBPP-UHFFFAOYSA-N 441.575 5.465 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCC(C)C)=C(c2ccc(OC)cc2)C1=O 1863672325 LZEHLBZYKKEKAN-UHFFFAOYSA-N 428.617 5.552 30 10 IKEE CCCCCCCOc1cccc2c1C(=O)N(C[C@@H](c1ccccc1)N1CCCC1)C2=O 1865825720 STPWFDUAHYITCQ-QHCPKHFHSA-N 434.580 5.469 30 10 IKEE C[C@@H](CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(C#N)cc1)c1cccc(Cl)c1 1867170272 UZWTYUUZTPYLAZ-MHECFPHRSA-N 445.950 5.071 30 10 IKEE CN(CC(C)(C)c1ccccc1)c1cc(Nc2cccc(C#N)c2)nc(Cc2ccccc2)n1 1868200850 GSDNYWLAAHCPJW-UHFFFAOYSA-N 447.586 6.097 30 10 IKEE COc1cccc(-c2nc(Nc3ccccc3C#N)cc(N3C[C@@H](C)Cc4ccccc43)n2)c1 1868511606 XJGZGQQRHXLUNE-IBGZPJMESA-N 447.542 6.098 30 10 IKEE C=CCn1cc(OCC(=O)Nc2ccc([C@@H](C)CC)cc2)c(=O)cc1CSC(C)C 1870183557 WDAXRSKLCUPCCL-SFHVURJKSA-N 428.598 5.207 30 10 IKEE CCCCCCCOc1cn(Cc2cccc(C)c2)c(CN2C[C@@H](C)C[C@@H](C)C2)cc1=O 1870412613 FEXGXSFUOKPTDZ-PSWAGMNNSA-N 438.656 6.032 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(Cl)cc2)cn1Cc1cccc(C)c1 1870438843 AKFFQFPNLFUXRG-UHFFFAOYSA-N 448.994 5.611 30 10 IKEE C=CCn1cc(OCCOc2ccc(Cl)cc2)c(=O)cc1CN(CCCC)CCCC 1870456779 KQJNCLCHYWNSNN-UHFFFAOYSA-N 447.019 5.548 30 10 IKEE CCCCCCCOc1cn(CCCOC(C)C)c(CNc2ccc(F)cc2)cc1=O 1870837599 OIAFPSZOXCIJAO-UHFFFAOYSA-N 432.580 5.764 30 10 IKEE CCCCCCCOc1cn(CCCCCCO)c(CNc2cccc(OC)c2)cc1=O 1870839150 NAGWTJBAYVTOMN-UHFFFAOYSA-N 444.616 5.371 30 10 IKEE CCCCCCCOc1cn(CCCCCC)c(CNc2cc(Cl)ccc2C)cc1=O 1870839588 RMPHKEDACXNOAD-UHFFFAOYSA-N 447.063 7.352 30 10 IKEE CCCCCCCCCCn1cc(OCC(N)=O)c(=O)cc1CNc1cccc(C)c1C 1871118118 BIHSUUKJPPYAPW-UHFFFAOYSA-N 441.616 5.082 30 10 IKEE CCCCCCN1COc2c(cc3c(c2C)O/C(=C\c2cccc(OC)c2OC)C3=O)C1 1871353048 AUVPMBJPLUFGJC-HMAPJEAMSA-N 437.536 5.361 30 10 IKEE O=C1/C(=C/c2ccccc2)Oc2cc(OC(=O)c3c(Cl)ccc(Cl)c3Cl)ccc21 1871383209 PAJCLSNAJSRBAQ-ZDLGFXPLSA-N 445.685 6.482 30 10 IKEE Cc1c(OCCCCOc2ccccc2)ccc2c1O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871403611 PLROEQGXYHGAOM-DIBXZPPDSA-N 442.555 6.973 30 10 IKEE Cc1cccc(OCCCOc2ccc3c(c2C)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)c1 1871406367 SSMZEDYQDAAIBL-JLPGSUDCSA-N 445.471 5.676 30 10 IKEE Cc1cccc(OCCOc2ccc3c(c2C)O/C(=C\c2ccc(N(C)C)cc2)C3=O)c1 1871407881 PYDKKNHESODTKD-UQQQWYQISA-N 429.516 5.443 30 10 IKEE COc1ccc(OCCOc2ccc3c(c2C)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871415261 YALMDWHQLBWEIJ-HAHDFKILSA-N 436.891 5.731 30 10 IKEE CCOc1ccccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccccc1F)C2=O 1871418252 LNBWFMDDMGOFSQ-QRVIBDJDSA-N 447.462 5.167 30 10 IKEE CCOc1ccccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1sccc1C)C2=O 1871418326 NXIQSIJNNVVEBC-BKUYFWCQSA-N 449.528 5.397 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc3c(c2C)O/C(=C\c2cccc(F)c2)C3=O)c1 1871460316 GMPDKSLJPUYVHY-QRVIBDJDSA-N 431.463 5.385 30 10 IKEE C=C(C)CN([C@@H](CC)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1ccc(F)cc1 1872221117 FOYISHVPMIXKES-QFIPXVFZSA-N 446.588 5.107 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)[C@H](C)CC)S(=O)(=O)C1CC1 1872339729 UNCCMBVVNYQHTM-DVECYGJZSA-N 448.673 5.657 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccccc3C)n2)cc1 1872765826 XUUIUMBJSXPMJM-JOCHJYFZSA-N 432.589 6.497 30 10 IKEE Cc1cc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc(C)c1Cl 1872779962 VTZJDJIGTPKYHQ-OAHLLOKOSA-N 432.879 5.614 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc(CN2CCN(c3cccc(C)c3)CC2)cc1 1872880455 QVZLLDGRYAVJDD-UHFFFAOYSA-N 449.683 6.188 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccccc2OC)=C(c2ccccc2)C1=O 1873157107 ROJMFCHHFNNQAB-UHFFFAOYSA-N 448.607 5.706 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(C)ccc2OCCC)=C(c2cccnc2)C1=O 1873269118 LIFRLXNOSKFFCS-UHFFFAOYSA-N 449.595 5.731 30 10 IKEE C=CCN(CC=C)c1nc(Nc2ccc(C)cc2)c2cnn(-c3ccc(Cl)cc3)c2n1 1873488327 YZTLENSOGJYILK-UHFFFAOYSA-N 430.943 5.699 30 10 IKEE C=CCOc1ccccc1OCc1nc2ccccc2n1CC(=O)N[C@@H](C)c1ccccc1 1873515981 IGDIKXOKECLTQA-FQEVSTJZSA-N 441.531 5.058 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(OCCCC)cc2)cc2c(NCc3ccco3)ncnc21 1873623874 WLVHADDOGFAQMY-UHFFFAOYSA-N 445.523 5.254 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccc(OCCC)cc3)c(=O)oc2c1C 1873924654 NFUJUOSFEUUOOH-UHFFFAOYSA-N 435.520 5.335 30 10 IKEE CSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1/N=C/c1ccc(F)cc1F 1874195291 HGDKAXXGRAORIG-CVKSISIWSA-N 444.551 5.470 30 10 IKEE Cc1ccccc1CSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1ccco1 1874259824 UUCDTIMLZQQZHZ-BRJLIKDPSA-N 440.475 5.211 30 10 IKEE CCCOc1c(/C=N/n2c(CCc3ccc(C)c(C)c3)nnc2SC)cccc1OC 1874329566 VAYOIRJFJHQVQA-PCLIKHOPSA-N 438.597 5.082 30 10 IKEE Cn1cccc1/C=N/n1c(SCc2cccc(Cl)c2)nnc1-c1ccccc1Cl 1874368043 LJYOFNZWMMRZNV-ZMOGYAJESA-N 442.375 5.765 30 10 IKEE Fc1ccc(CSc2nnc(Cc3ccc(F)cc3)n2/N=C/c2cccs2)cc1 1874378223 JJLPBMFOXKENDR-ZMOGYAJESA-N 426.517 5.383 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCCC)nnc2-c2ccccc2)cc1OCC 1874429157 UMEYXIZJFRXZED-XIEYBQDHSA-N 438.597 5.907 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(CC(C)(C)C)n2/N=C/c2sccc2C)cc1 1874437427 AHMYXTFNTTUCJO-YDZHTSKRSA-N 441.626 5.158 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2[C@@H]2CCCO2)cc1 1874450114 UFCFAVYVOMNYPW-VNSNFZHPSA-N 442.588 6.020 30 10 IKEE Cc1cccc(CSc2nnc(C(F)(F)F)n2/N=C/c2ccc(Cl)cc2Cl)c1 1874460748 DOGXTAGBWLWSAH-PGGKNCGUSA-N 445.297 6.087 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C(F)(F)F)cc1 1874462365 VLXAXWYAXAYOKR-LIMNOBDPSA-N 447.269 5.484 30 10 IKEE CC(C)(C)c1nnc(SCc2ccccc2)n1/N=C/c1cc(Br)ccc1F 1874481936 QGTCUBQJZBFPNZ-FSJBWODESA-N 447.377 5.652 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(C2CCC2)n1/N=C/c1cccc(C)c1 1874494690 DTJOWJVPDNMWBJ-MFKUBSTISA-N 433.581 5.029 30 10 IKEE CCCOc1cccc(/C=N/n2c(COC)nnc2SCc2cccc3ccccc23)c1 1874502754 XXGSCPSXVRKUHN-WGOQTCKBSA-N 446.576 5.541 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C(C)C)c1 1874517220 OMBHZMFHBWKUBF-WYMPLXKRSA-N 449.407 6.282 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(SCc2ccccc2Cl)nnc1C1CC1 1874521349 OGMYTYOOXVPPDQ-VULFUBBASA-N 448.979 6.145 30 10 IKEE CCc1nnc(SCc2ccccc2F)n1/N=C/c1cccc(OCc2ccccc2)c1 1874526873 LQOYLCGKILHCCG-JVWAILMASA-N 446.551 5.733 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(C)n1/N=C/c1ccc(Cl)c(Cl)c1 1874530254 YVEICHIGXFXZJF-FOKLQQMPSA-N 448.379 5.069 30 10 IKEE Cc1ccc(COc2ccc(/C=N/n3c(C)nnc3SCCc3ccccc3)cc2)cc1 1874531463 KNRKPLSVBRSVCH-OVVQPSECSA-N 442.588 5.691 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2c(OCCC)ccc3ccccc23)cc1OCCC 1874576516 QPQIICXCODWLHF-BUHFOSPRSA-N 432.560 7.102 30 10 IKEE O=C(COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(Cl)cc1)NC1CCCCC1 1874577622 XLBYSBOCUXESFT-FOCLMDBBSA-N 447.962 6.217 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCc2ccccc2)c1 1874580741 DOESSRBLNHVZQC-PKNBQFBNSA-N 438.907 5.841 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2)cc1C 1874591400 IFCDBKWLWPOSKJ-PKNBQFBNSA-N 449.934 5.879 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC)c(OCCCO)c2Br)cc1 1874593710 XZJMEUGQJXSROD-ACCUITESSA-N 447.369 5.458 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(OC)c1OCc1ccccc1C 1874603223 LWQLTRMIRLFTNH-SAPNQHFASA-N 448.562 7.360 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cc(C)ccc3C)c(Cl)c2)c(C)c1 1874617813 UXGBVLDXIUIVHF-DHZHZOJOSA-N 447.962 6.487 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OCc2ccccc2C)c(Cl)c1 1874634657 NDYBCHTVGNBMFD-CSKARUKUSA-N 441.354 7.094 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3ccc(Cl)cc3Cl)c2)cc1 1874701960 OIXUCIMREJOFCC-YRNVUSSQSA-N 441.310 6.182 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OC(=O)c1ccc(C(F)(F)F)cc1 1874702833 LXGJSNJHDVKPSP-WLRTZDKTSA-N 440.417 6.138 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cccc4ccccc34)c2)cc1Cl 1874716953 QZTASVYZUNMRFW-WYMLVPIESA-N 442.898 6.617 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(Cl)c(OC)c2)CSc2nnc(C)n21 1874829087 NVQPAJIMJUZZRH-GOSISDBHSA-N 437.009 5.311 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc3ccccc3c2)CSc2nnc(CC)n21 1874839333 HQUDKVNQYYDKEU-JOCHJYFZSA-N 436.625 6.056 30 10 IKEE CCCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccccc2OC)cc1OCC 1875119735 KBWGMHJFVPOCJL-VAWYXSNFSA-N 447.325 5.458 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)Cc1cc(C)ccc1C 1875127721 USABGOODKGEJMG-OUKQBFOZSA-N 430.500 5.365 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)cc3)c(Cl)c2)ccc1F 1875141586 KZIQMMCMROBWLX-WTDSWWLTSA-N 429.274 6.556 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)cc2Cl)cc1 1875147015 NQYZXGSAJZDKCM-RUDMXATFSA-N 434.875 5.535 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2[N+](=O)[O-])c1 1875174902 ORPVRLWEXCFVMZ-DHZHZOJOSA-N 431.444 5.336 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@H](C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 1880471987 YTJAKWHUNWPBCX-PMACEKPBSA-N 443.588 5.351 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)Nc3cccc(Cl)c3Cl)ccc21 1891102702 CUCAYCQIQANPCR-UHFFFAOYSA-N 434.323 5.575 30 10 IKEE O=C(CCc1c2ccccc2cc2ccccc12)NCC#CCN1CCc2ccccc2C1 1891953283 BGBWCWWCLZPYHP-UHFFFAOYSA-N 432.567 5.104 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1cc(Br)sc1Br 1922068649 KGZCCDYMNYLQIC-MRXNPFEDSA-N 445.220 5.697 30 10 IKEE C=CCC1(NCc2cc(Br)ccc2F)CCN(C(=O)OC(C)(C)C)CC1 1924543077 RCGVGVYQNBKUKN-UHFFFAOYSA-N 427.358 5.024 30 10 IKEE CC1(C)CC[C@H](Nc2ccc(Br)c(C#N)c2)[C@@H](CNC(=O)OC(C)(C)C)C1 1927102012 KVOAIKWXMCGUKW-QAPCUYQASA-N 436.394 5.452 30 10 IKEE CCC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 1945808599 OETDTJMTMAYSJO-AZUAARDMSA-N 437.625 5.779 30 10 IKEE CCCCCCC[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1C(=O)O 1951575549 BZUPYQGQSWAVFG-NTKDMRAZSA-N 435.564 5.929 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H]1[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1978209482 KLORVQYIAGDFMZ-HTAPYJJXSA-N 435.952 5.373 30 10 IKEE C=CCCCCCCCCC(=O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2026309266 COCAAXCMXGHVEJ-QHCPKHFHSA-N 431.617 6.363 30 10 IKEE O=C(C=Cc1ccc(Cl)cc1Cl)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 2040459294 RZNXCPVJWOQYTG-UHFFFAOYSA-N 438.376 5.454 30 10 IKEE O=C(C=Cc1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc2ccccc2c1 2040751158 QCNGOEYXOVVEBX-UHFFFAOYSA-N 448.927 6.157 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@@]1(C#N)CCN(Cc2ccccc2)C2(CC2)C1 2042187336 BJAGFHFMKVCRRU-SANMLTNESA-N 435.543 5.658 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@@H](CNC(=O)OC(C)(C)C)C2(C)C)c1 2053048082 KMYNGJVIDBVBMF-AVRWGWEMSA-N 443.588 5.570 30 10 IKEE CC(C)c1nn([C@@H](c2ccc(C(F)(F)F)cc2F)C2(C)CC2)c(Br)c1C#N 2079878291 LNQVEWBIPPOODB-INIZCTEOSA-N 444.270 6.188 30 10 IKEE CC(=O)Oc1ccc([C@H](n2nc(C3CCC3)c(C#N)c2Br)C(C)(C)C)cc1 2080073729 WRVIKSRUYQFRFP-IBGZPJMESA-N 430.346 5.346 30 10 IKEE CC[C@H](C)C[C@@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)NC1CC1 2086501010 RWSZZXIQUAUFFZ-RBJSKKJNSA-N 432.656 5.071 30 10 IKEE CCCN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cccc(Br)c1C#N 2174814108 DMTHHXCDACYERR-INIZCTEOSA-N 436.394 5.184 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(C(=O)NC2(C#N)CCCCCC2)ccc1Br 2181055599 JTRBOYKZYDCMHG-UHFFFAOYSA-N 436.350 5.142 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H](Nc2ccc(Br)c(C#N)c2)C(F)(F)CC1 2197006470 QFNDAABSXGLZCT-INIZCTEOSA-N 444.320 5.158 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@]1(CNC(=O)OC(C)(C)C)C[C@H]2CC[C@H]1C2)NC 2217253923 RUMMSOLTNBBDHH-HZLPDVBGSA-N 428.617 5.069 30 10 IKEE C=C(Cl)C[C@H](NCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2221692277 ZEMBMRYMFIUXFU-IRXDYDNUSA-N 431.802 5.006 30 10 IKEE N[C@H](C#Cc1ccccc1Br)c1cc(Br)cc(Br)c1 2227477525 WXQNVGYUJFQZJH-OAHLLOKOSA-N 443.964 5.026 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(CC[C@@H](N)C#Cc2ccccc2Br)cc1 2235746904 LXPKMEDEWVIYPQ-GOSISDBHSA-N 429.358 5.108 30 10 IKEE CC#CCCCC[C@@H](NC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237433377 DUNQQUFLFPJOQV-UXHICEINSA-N 437.422 5.057 30 10 IKEE Cc1cnc(Nc2ccc(Br)c(Cl)c2C)c(B2OC(C)(C)C(C)(C)O2)c1 2241055276 URUWSHMUHNOWGO-UHFFFAOYSA-N 437.574 5.157 30 10 IKEE C=CC[C@H](OCCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2261619876 IORPSKILVWNYRC-DEOSSOPVSA-N 432.516 5.953 30 10 IKEE N[C@H](C#Cc1cccc(Br)c1)c1ccc(Br)c(Br)c1 2278729090 ZFXSWZVNZYYKGS-OAHLLOKOSA-N 443.964 5.026 30 10 IKEE Cc1ccc(-c2nn(-c3cccc(F)c3)cc2C=NNC(=S)Nc2ccccc2)cc1 2296405029 JEADTUJRTBOKFL-UHFFFAOYSA-N 429.524 5.307 30 10 IKEE CCCOc1ccc(C(=O)C(=Cc2cccc(OC)c2OC)c2nc3ccccc3o2)cc1 2296695645 AKXGPZLJNZNMHN-UHFFFAOYSA-N 443.499 6.057 30 10 IKEE O=C(Oc1ccc(Br)cc1C(=O)C=Cc1ccc(F)cc1)c1cccs1 2296797080 VIBOKXOLACOGOL-UHFFFAOYSA-N 431.282 5.765 30 10 IKEE O=C(C=C1SC(=Nc2ccccc2)N(c2ccccc2)C1=O)Nc1cccc(Cl)c1 2297616118 GZDUYTRYVKOIIC-UHFFFAOYSA-N 433.920 5.630 30 10 IKEE C=CCN1C(=O)C(=Cc2cccc(OCCCOc3ccc(C)c(C)c3)c2)SC1=S 2297624689 BJMQMZYWWDNGNY-UHFFFAOYSA-N 439.602 5.539 30 10 IKEE Cc1cc(C=C2SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)c(C)n1-c1ccccc1 2313511388 MHYOXDCQJXIYEA-UHFFFAOYSA-N 442.371 6.293 30 10 IKEE O=C(C=Cc1ccccc1)Oc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1 2314430009 UEWBKIHQFPLXAN-UHFFFAOYSA-N 430.503 6.869 30 10 IKEE O=C1C(=Cc2ccccc2Cl)Oc2cc(OCc3ccc(Cl)cc3Cl)ccc21 2314437974 CKXJSNPTULKLGA-UHFFFAOYSA-N 431.702 6.842 30 10 IKEE COc1cccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CC2)c1OC 2320869780 XKNZDNUGLRSXLO-UHFFFAOYSA-N 444.560 5.500 30 10 IKEE CCOc1cc(C=NNc2nc(C)cc(C)n2)ccc1OCc1ccc(Cl)cc1Cl 2321699106 BLNUIEBYNYBSHT-UHFFFAOYSA-N 445.350 5.824 30 10 IKEE COc1cccc(C=Nn2c(S)nnc2C2CCCC2)c1OCc1ccccc1Cl 2321928059 RNQMMKABTKHCRT-UHFFFAOYSA-N 442.972 5.348 30 10 IKEE COc1cccc(C=Nn2c(S)nnc2CC(C)(C)C)c1OCc1ccccc1Cl 2321937227 BRSCBNFEVUIBNZ-UHFFFAOYSA-N 444.988 5.279 30 10 IKEE CCCCC1CCC(c2nnc(S)n2N=Cc2cccc(Oc3ccccc3)c2)CC1 2322106754 KJEUPOHDPINXAZ-UHFFFAOYSA-N 434.609 6.705 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc4c3CN(CCCCN(CC)CC)CO4)C2=O)cc1 2322122811 GOOQOWSUKWVQQI-UHFFFAOYSA-N 434.580 5.139 30 10 IKEE CCN(CC)CCN1COc2ccc3c(c2C1)OC(=Cc1c(Cl)cccc1Cl)C3=O 2322170542 PCRYUXBQXMFTFJ-UHFFFAOYSA-N 447.362 5.103 30 10 IKEE C=C(C)COc1c(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)cc1OC 2322312206 RTUUNHOVJBFWCP-UHFFFAOYSA-N 432.270 5.217 30 10 IKEE C=CCOc1c(C=CC(=O)c2ccc(CCCC)cc2)cc(Br)cc1OC 2322401868 JATWVMVYDVLLIJ-UHFFFAOYSA-N 429.354 6.261 30 10 IKEE Cc1c2c(cc3c1OC(=CC=Cc1ccccc1)C3=O)CN(Cc1nc3ccccc3[nH]1)CO2 2322416199 ZGMNWPSJXKILOX-UHFFFAOYSA-N 449.510 5.396 30 10 IKEE COc1ccc([C@@H](C)N2COc3c(cc4c(c3C)OC(=Cc3cccc(C)c3)C4=O)C2)cc1 2322437687 CODDSITUHSGOGJ-LJQANCHMSA-N 441.527 5.841 30 10 IKEE COC(=O)c1ccc(COc2ccc3ccccc3c2C=CC(=O)c2ccc(C)c(C)c2)o1 2322886615 OJDSEBZXGPKEOP-UHFFFAOYSA-N 440.495 6.311 30 10 IKEE Cc1ccc(CCC(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2Cl)C3=O)cc1 2323086082 RWEUXTMRDKHLTM-UHFFFAOYSA-N 432.903 6.111 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1 2323190197 LDJQNPQOQFUVBE-UHFFFAOYSA-N 428.484 5.719 30 10 IKEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CCC(C)(C)C[C@H]1CNC(=O)OC(C)(C)C 2323299580 HMDMONIKDHRLJH-HFZDXXHNSA-N 444.616 5.239 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc3C2=O)cc1 2323423402 PGHWXBZCUKKXKZ-UHFFFAOYSA-N 426.468 5.493 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2323675000 XBVFEASWIYJQMN-UHFFFAOYSA-N 430.460 5.071 30 10 IKEE CCCOc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2sccc2C)C3=O)c1 2323839618 LKKJYWGNDMIBGF-UHFFFAOYSA-N 434.513 5.989 30 10 IKEE CC(C)Oc1ccc(C=NNc2nc(-c3ccc(F)cc3)cs2)cc1Br 2323858564 MZHNROFSZZWPLN-UHFFFAOYSA-N 434.334 5.945 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OCc1cccc2ccccc12 2323896003 AAWFXYGFKYJEHT-UHFFFAOYSA-N 442.942 7.285 30 10 IKEE CN(Cc1ccccc1)Cc1c(O)ccc2c1OC(=Cc1ccccc1OC(F)F)C2=O 2324077575 JAHZOXZOLYYSKF-UHFFFAOYSA-N 437.442 5.242 30 10 IKEE Cc1c(OCCCOc2ccccc2)ccc2c1OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2324241170 OFAFLJDWJCURQI-UHFFFAOYSA-N 442.555 6.757 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2Cl)cc2c1C(=O)C(=Cc1ccccc1)O2 2324391751 MVDMPULCUWHXCL-INIZCTEOSA-N 433.891 5.671 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1 2324451301 WXFXDDNKFMHJBA-OAHLLOKOSA-N 449.890 5.371 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc([N+](=O)[O-])c1OCCCO 2324582582 OXGWFHPHUHZFKG-UHFFFAOYSA-N 441.524 5.257 30 10 IKEE CC[C@H](C)Oc1ccc2c(c1C)OC(=Cc1cc(Br)cc3c1OCOC3)C2=O 2324718679 PTDOJSPSZOQNBI-LBPRGKRZSA-N 445.309 5.418 30 10 IKEE CCCC[C@@H](Oc1ccc2c(c1C)OC(=Cc1cn(C)c3ccc(OC)cc13)C2=O)C(=O)O 2324781199 PMMHNVWVVICHEH-JOCHJYFZSA-N 449.503 5.134 30 10 IKEE CCOc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)cc1 2324825618 SXDAEBOMODSEDR-OAQYLSRUSA-N 432.545 5.724 30 10 IKEE CCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccc(OC(C)C)c(OC)c1 2325592781 GVSACJZAFHQCAU-UHFFFAOYSA-N 438.597 5.428 30 10 IKEE CCCc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccccc3Cl)c2)cc1 2325717689 QQSAZIVNLYICGL-UHFFFAOYSA-N 434.919 6.173 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccccc3[N+](=O)[O-])c2)cc1 2325734517 QONPMHNACNDGFY-UHFFFAOYSA-N 431.444 5.038 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccccc2Cl)c1)c1ccc(Cl)c(Cl)c1 2325737094 GYZIIQXDLMOZMW-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)c1 2325740653 UYAUCHPNTHEXQP-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE CCOc1ccc2ccccc2c1C=Nn1c(C)nnc1SCc1cc(C)cc(C)c1 2326399209 ZXUMIKHOSQWPKR-UHFFFAOYSA-N 430.577 5.930 30 10 IKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)C1(C#N)CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 2327975670 RTTKDJDTSUCGHI-WKRUFEFESA-N 449.636 5.732 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc(OCC)cc1 2328056491 LWMOEFBYWNBPDH-UHFFFAOYSA-N 441.000 5.666 30 10 IKEE COc1ccccc1OCc1nnc(SCc2ccccc2)n1N=Cc1cccc(F)c1 2328276089 OZKUPIAHLANDDG-UHFFFAOYSA-N 448.523 5.179 30 10 IKEE Cc1ccc(OCc2nnc(SCc3cccc(F)c3)n2N=Cc2cccn2C)cc1C 2328782166 DNQQDEBDDBBWHK-UHFFFAOYSA-N 449.555 5.126 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2ccccc2C)c(C)c1 2328895900 ZEQMPBNUVBCKAG-UHFFFAOYSA-N 442.588 5.957 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3ccc(C)cc3)c(OC)c2)c1 2330772893 KSCLXEDOHDKTOD-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)c1cncc(C)c1 2330910255 CAFGQWDWAQQUPI-UHFFFAOYSA-N 442.298 5.821 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2)c1 2331138311 JSXYCBZNFOUXGV-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(Br)c1OC(=O)CC(C)C 2331281519 KAYFLMQFVKOYTN-UHFFFAOYSA-N 431.326 5.614 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)c3cccc(Cl)c3)c(Cl)c2)c1 2331320167 LGPZBHOMYKGARK-UHFFFAOYSA-N 425.311 6.726 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2sccc2C)c([N+](=O)[O-])c1 2331362935 VXEQICYYYXKZAO-UHFFFAOYSA-N 437.473 5.397 30 10 IKEE CC(C)Cc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1cccc(O)c1 2331463904 BNIKYSSJVIQMJD-UHFFFAOYSA-N 435.380 5.664 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2)c(C)c1 2331490163 XXXKNMLVHQPGCA-UHFFFAOYSA-N 428.528 6.307 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1ccccc1Cl 2331569559 SQAOERVZFITBTQ-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C(C)C)c(OC)cc3C)cc2)c1 2331571424 IPOOROCDCWYWSZ-UHFFFAOYSA-N 444.527 6.251 30 10 IKEE CC(C)c1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1ccc(Cl)c(Cl)c1 2331673195 NYEFVEZWELXILN-UHFFFAOYSA-N 448.379 5.321 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccncc3)c(Br)c2)cc1C 2331706887 NGYVSVXAPGCLED-UHFFFAOYSA-N 436.305 5.576 30 10 IKEE CC(C)(C)OC(=O)N[C@]1(C)C[C@H]2CC[C@H]1C[C@@]2(C#N)Nc1ccc(Br)cc1 2381196027 HLXQNDNBQLFUHG-RSMHBEIYSA-N 434.378 5.227 30 10 IKEE CCCCCN1C(=O)/C(=N\n2c(-c3ccc(Cl)cc3)cs/c2=N\C)c2ccccc21 15980578 PJGTTYRCSUZWMW-BAMJYUKISA-N 438.984 5.190 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 20882955 RWMNAEAZUSRDSH-NFBKMPQASA-N 431.576 5.777 30 10 IKEE CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)ccc1O 21226892 NZWMMKQPXVFHCP-WTYVLRPYSA-N 440.543 6.079 30 10 IKEE CC(C)Oc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2F)cc1 21252696 BAEWEHMOTNBTJI-HMILPKGGSA-N 442.534 6.592 30 10 IKEE COc1cc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(C(C)C)cc2)ccc1OC(C)C 21254424 KYVRNIALWGUMDM-FGZHOGPDSA-N 447.575 5.610 30 10 IKEE CC[C@H]1CS/C(=N\c2ccc(C(=O)/C=C\c3ccc(Oc4ccccc4)cc3)cc2)N1 33827964 QFFSNQJKVMTZBJ-OIOSCTRGSA-N 428.557 6.478 30 10 IKEE C=CCc1ccccc1OCCCCn1c(COc2ccccc2OC)nc2ccccc21 40233334 GTTARYKICVDDFH-UHFFFAOYSA-N 442.559 6.212 30 10 IKEE O=C(/N=C(/NCCc1c[nH]c2ccccc12)Nc1ccc(F)cc1)c1ccc(Cl)cc1 66437605 PGKTZHKRPLXBBA-UHFFFAOYSA-N 434.902 5.401 30 10 IKEE Cc1nn2c3ccccc3n(C)c2c1C(=O)/C=C\c1cc2ccccc2nc1N1CCCCC1 96925878 LYBFHVUFWQIZMB-PFONDFGASA-N 449.558 5.569 30 10 IKEE CCCCCCCOc1ccc(NCC(=O)Nc2ccc(C(=O)N(CC)CC)cc2)cc1 100077674 WJDTVLYTGRATER-UHFFFAOYSA-N 439.600 5.568 30 10 IKEE CCCCCCCOc1ccccc1[C@@H]1Nc2ccccc2C(=O)N1Cc1ccccc1 100140290 JELXDIDJHLOEJZ-HHHXNRCGSA-N 428.576 6.803 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2C)cc1 100153968 VPYJOEGDBJWZRF-UHFFFAOYSA-N 429.542 5.379 30 10 IKEE CCCCCCCN1C(=O)C[C@H](C(=O)Nc2ccccc2)S/C1=N\c1ccc(F)cc1 100170738 ZLNLIYIECUBHAL-LQUAGZSJSA-N 441.572 5.756 30 10 IKEE CCCCCCCn1c(CNC(=O)Cc2ccc(-c3ccccc3)cc2)nc2ccccc21 102127001 JANXHGIZFBNFDY-UHFFFAOYSA-N 439.603 6.533 30 10 IKEE CCCCCCCCCCCCCCCCn1c([C@@H]2CC(=O)N(C)C2)nc2ccccc21 102198001 KYZCLGXEOFXRBX-XMMPIXPASA-N 439.688 7.463 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1cccs1)c1cccc(Cl)c1 169985779 VZCKOVQFPGBDNE-SFHVURJKSA-N 430.312 5.838 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@@H]2c2cccs2)s1 169986405 MATPTYHYXCBNKF-HXUWFJFHSA-N 446.553 5.758 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccncc2)cc1 170016587 DFIUMYLPIXISJH-JOCHJYFZSA-N 432.907 5.641 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 170029486 GUZLCURLLMXXCI-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1c[nH]c2ccccc12)c1cccc2ccccc12 170076711 HWRKVRIVUXTJNA-RUZDIDTESA-N 448.478 5.693 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2ccc(F)cc2)c1 170140410 SNYOLFSUHBDMSW-QHCPKHFHSA-N 426.447 5.398 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2cccs2)cc1C 170158157 WGCHUVUDUOHYSE-QFIPXVFZSA-N 433.529 5.465 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2cccs2)c1 170160198 VQFQFSAJJIGKIC-NRFANRHFSA-N 430.485 5.026 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1cccnc1)c1ccc2ccccc2c1 170191644 JFJQTRFMSLKJLI-QHCPKHFHSA-N 442.421 5.296 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1cccc(OCC)c1 170217805 WOIFCKJEVNHCDZ-DEOSSOPVSA-N 449.591 6.070 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccccc2)c1 170224033 SAPWESFFGJSAQR-OAQYLSRUSA-N 448.316 5.540 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 170226523 RRBUALZMYNVGBK-HXUWFJFHSA-N 434.835 5.031 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@@H]1c1cccc(O)c1 170263365 IJNQICYTGJXPGF-QHCPKHFHSA-N 437.536 5.196 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2C)cc1 170274129 ONNAWWCGSLRTCD-HSZRJFAPSA-N 431.488 5.155 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3cc(C(C)(C)C)ccc3C)[C@H]2c2ccco2)c1 170289131 ZOYWXBLRDPMZJK-HSZRJFAPSA-N 445.515 5.682 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccco2)c1 170290739 ATKOJWIZILJEMO-NRFANRHFSA-N 439.414 5.128 30 10 IKEE COc1cc(Cl)cc2cc(C(=O)C3=C(O)C(=O)N(C4CCCC4)[C@@H]3c3ccco3)oc12 170295909 NUQHOGCLRGBLIH-LJQANCHMSA-N 441.867 5.209 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccc(C)o2)cc1 170305550 KVNTYDKOUBUJFX-HSZRJFAPSA-N 431.488 5.468 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1c[nH]c2ccccc12)c1ccccc1 170423289 NQTJFGZWVYPNNR-DEOSSOPVSA-N 440.474 5.128 30 10 IKEE Cc1cccc(Oc2ccc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@H]3c3cccs3)cc2)c1 170476513 JAEOIBLADUXSLX-XMMPIXPASA-N 447.556 6.364 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(OCc3ccccc3)cc2)[C@@H]1c1cccnc1 170481006 NVWFSNQOIYZYDW-RUZDIDTESA-N 442.515 5.176 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)[C@@H]1CCCCCCCCCCC1=O 204832064 VLPBJKXVGVOWTL-NDEPHWFRSA-N 448.776 9.917 30 10 IKEE Cc1ccccc1NN=C1C(=O)N(c2nc(-c3ccccc3)cs2)N=C1c1ccccc1 252617085 KLYQHVASGGCTIR-UHFFFAOYSA-N 437.528 5.338 30 10 IKEE COc1ccc(COc2ccc(OCc3ccccc3)cc2)cc1B1OC(C)(C)C(C)(C)O1 312141634 ZWMCGEKDWLFTEJ-UHFFFAOYSA-N 446.352 5.152 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)ccc(F)c1Br 407114734 GQXDEXYAAITZIN-CRAIPNDOSA-N 447.364 5.628 30 10 IKEE Cc1cccc([C@@H]2C(c3cccc(OCC(C)C)c3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 526487596 COSOQFNSBQMYTR-AREMUKBSSA-N 438.527 5.959 30 10 IKEE CCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1cn(C)c2ccccc12 526805947 NSAFIFXUMJUXCP-YUMHPJSZSA-N 445.636 6.194 30 10 IKEE CCOc1c(Cl)cc(/C=N\n2cnnc2SCc2cc(C)cc(C)c2)cc1Cl 526809464 GJGWBEAEIIAWLR-VROXFSQNSA-N 435.380 5.775 30 10 IKEE Cc1nc2cc(Cl)ccc2c(-c2ccccc2)c1C(=O)/C=C\c1ccc(F)c(Cl)c1 606444258 NOYZXGUDTUFTSY-WQLSENKSSA-N 436.313 7.552 30 10 IKEE C=C(Cl)C[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCC 686829807 PAEHBCHYUQUBRB-NRFANRHFSA-N 436.040 5.057 30 10 IKEE CC(C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@@H]1[C@H]1CCCCN1C(=O)OC(C)(C)C 698383072 XZQNJZFXRBBITA-IECBHUPTSA-N 435.609 5.484 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 724092070 WUUSXLWCYOBLSG-CLOONOSVSA-N 443.588 5.714 30 10 IKEE C=CCc1cc(C=Nc2ccc(Oc3ccc(OC)cc3)cc2)cc(OC)c1OCC(=O)O 1084141900 YILINTMCGWDDNS-UHFFFAOYSA-N 447.487 5.439 30 10 IKEE C=CCCC[C@H](NC(=O)c1cccc(-c2cnc3nc(O)n(C)c3c2)c1)c1ccccc1 1455290773 PSTSSFCPVLFGQY-QFIPXVFZSA-N 426.520 5.168 30 10 IKEE C[C@H]1C/C(=N/c2ccc(F)cc2)c2cc(F)ccc2N1C(=O)c1ccc(Cl)c(F)c1 1615947413 BKTKRBPGIMXODB-VKRVNKPYSA-N 428.841 6.317 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=Nc1cccc(C)n1 1772735920 JRSQVKVGZIRCRH-SKYIDQJDSA-N 446.488 5.348 30 10 IKEE Cc1csc(N=C2S/C(=C/C(Cl)=C\c3ccccc3)C(=O)N2C2CCCCC2)n1 1772739450 RNWMDWADDUITQQ-SMAHJHQWSA-N 444.025 6.511 30 10 IKEE CCc1ccc(-n2cc(/C=N\NC(=S)Nc3cccc(C)c3)c(-c3ccccc3)n2)cc1 1857810144 RYILVERAPQTTAJ-PKAZHMFMSA-N 439.588 5.731 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccc2OCC(=O)OC2CCCC2)c1 1858731150 QNIIQXZASDFHSL-UHFFFAOYSA-N 437.540 5.036 30 10 IKEE C=CCOC(=O)c1sc(NC(=O)c2c3c(nc4c(Cl)cccc24)CCCC3)nc1C 1859644302 IYXAGRNGMATNLF-UHFFFAOYSA-N 441.940 5.127 30 10 IKEE Cc1ccc(SCCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1 1859650018 BVZWZPXGOYIIQU-UHFFFAOYSA-N 438.552 6.915 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)COc1ccc(Cl)cc1 1861732602 PFCXCKRLTPXYMQ-JOCHJYFZSA-N 439.040 5.651 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(CC)cc1 1862385409 OPLSQIBCPSAPES-OAQYLSRUSA-N 446.374 6.324 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@H]1c1ccc(OC)cc1 1862391499 BOABZWCSTSGHNF-XMMPIXPASA-N 435.564 5.806 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862394412 GDNQUIRYHSSAOV-OSPHWJPCSA-N 430.548 5.887 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1 1862441670 BNTZQXKTTCKZPX-QRQCRPRQSA-N 435.882 5.819 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(F)c1 1862444917 KAHXCIZYSGQQJY-YFZFPPMRSA-N 427.903 5.636 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2cccc(F)c2)cc1 1862473915 IPGJRTOFJOMWSS-XMMPIXPASA-N 429.491 5.345 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2cccc(F)c2)c1 1862489239 SQOJASNIDJEFEA-UUOWRZLLSA-N 429.491 5.782 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cccc(OCC)c1 1862493641 VDTVMIRDJSQORI-XMMPIXPASA-N 435.564 5.861 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2cccc(C)c2)cc1 1862516170 ZSLGTBLVMROGMH-VWLOTQADSA-N 447.575 6.085 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2cccs2)cc1 1862596029 KZXJSAHFGWIIML-QFIPXVFZSA-N 449.528 5.021 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cc(Cl)cc(Cl)c1)c1cccc(O)c1 1862597834 MZHVECDEGBBURS-FQEVSTJZSA-N 446.330 5.610 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1[C@@H]1CCCC[C@@H]1C 1862648438 BBODCPWNMZEDQH-YQIFXUADSA-N 439.555 6.305 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccc1Cl 1862652876 LKJFZQJBYQDTPH-HSZRJFAPSA-N 449.934 5.497 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862655105 ZTTVFAKDCJACFC-QHCPKHFHSA-N 444.487 5.517 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2ccc(Cl)cc2)cc1 1862659789 APEOPHRWZREPIB-QFIPXVFZSA-N 441.955 5.204 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862665303 DCQREKLUXAHUBB-QFIPXVFZSA-N 436.508 5.487 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862679144 WDXXYGBWZZQRKK-RUZDIDTESA-N 449.566 6.640 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2cccc(C)c2)cc1 1862687000 FXRXZCBMUDPSEM-XMMPIXPASA-N 427.500 5.091 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccc(C)c1 1862722519 SBTXIDBFUCNDMN-UQBPGWFLSA-N 425.528 6.039 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 1862888185 VKJAJEFZHVBRFU-UHFFFAOYSA-N 447.416 5.282 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3cccc4ccccc34)C2=O)cc1 1862894023 SLSZTRPDDDIFSF-UHFFFAOYSA-N 429.479 5.417 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C)c2)=C(c2ccc(OCC)cc2)C1=O 1863206831 RBAOHBLBAKOBOD-UHFFFAOYSA-N 434.580 5.946 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc3ccccc23)=C(c2ccccc2F)C1=O 1863292725 CQGPXTKEWJFJLH-UHFFFAOYSA-N 444.550 6.531 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(OCC(C)C)cc1 1866029835 KTARANVZYOSMLD-UHFFFAOYSA-N 431.705 8.921 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1nnc(C2CCCCC2)s1 1866032802 XYDVQRIVENGRGV-UHFFFAOYSA-N 449.749 8.786 30 10 IKEE C/C(=C\c1cccc(Cl)c1)C(=O)N[C@H](C(=O)Nc1ccccc1C#N)c1ccccc1 1866819323 JBJWIPNOVDHAIS-IOUNIBQOSA-N 429.907 5.111 30 10 IKEE C=CCN(CC=C)c1cc(N(CCC)CCC(=O)OCC)nc(-c2ccccc2Cl)n1 1867977186 VANJXCHQIYIRDM-UHFFFAOYSA-N 442.991 5.145 30 10 IKEE COc1ccc2c(c1)C[C@H](C)CN2c1cc(Nc2ccccc2C#N)nc(C(C)(C)C)n1 1868351186 RTPOIEKSBNFOGK-KRWDZBQOSA-N 427.552 5.728 30 10 IKEE CC1(C)CN(c2cc(Nc3cccc(C#N)c3)nc(-c3ccc(F)cc3)n2)c2ccccc21 1868445735 UDWPVOQAEFVNBE-UHFFFAOYSA-N 435.506 6.327 30 10 IKEE Cc1nc(Nc2ccc(C#N)cc2)cc(N2CCC(c3nc4c(s3)CCCC4)CC2)n1 1868494316 FTUGJVWDNPHBJP-UHFFFAOYSA-N 430.581 5.120 30 10 IKEE Cc1cccc(OCC(=O)Nc2c(C#N)nnn2-c2cc(C(C)C)cc(C(C)C)c2)c1C 1870144928 OITZIBMHGLEGPY-UHFFFAOYSA-N 431.540 5.020 30 10 IKEE CCCCCCCOc1cn(CCCCC)c(CNc2cc(Cl)ccc2C)cc1=O 1870837648 QUHYOFDKGBXMFQ-UHFFFAOYSA-N 433.036 6.962 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(C)cc2)c(CNc2cccc(C)c2C)cc1=O 1870839285 FZHUVTNOYBMHTH-UHFFFAOYSA-N 446.635 6.783 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCC)c(=O)cc1CNc1cccc(C)c1 1871148536 SEKMEVGYGQHXEI-UHFFFAOYSA-N 428.573 5.071 30 10 IKEE C=CCn1cc(OCCCOc2cccc(C)c2)c(=O)cc1CNc1cc(C)ccc1C 1871219224 AQJWFXUJHPGFGW-UHFFFAOYSA-N 432.564 5.420 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O3)CN(CCC1=CCCCC1)CO2 1871349694 QYLMJVZKTVMQOQ-UCQKPKSFSA-N 446.503 5.562 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc4c3CN([C@@H]3CCCC[C@@H]3C)CO4)C2=O)cc1OC 1871350830 WSRZWJAWDVQEQN-AIIRFFNTSA-N 435.520 5.051 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4cccc(Br)c4)cc(C)c3C2=O)cc1 1871364036 CSUBLQZPZZYYRW-NHDPSOOVSA-N 449.300 5.901 30 10 IKEE Cc1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2c(F)cccc2Cl)C3=O)cc1 1871366823 NUMGPYJTEKQAJW-PCAIFWSDSA-N 448.877 6.331 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871375639 WCTIDLRPRZPJSR-AJRXITOCSA-N 426.468 5.406 30 10 IKEE Cc1c(OC(=O)c2ccc(C(F)(F)F)cc2)ccc2c1O/C(=C\c1ccncc1)C2=O 1871375937 KXJHXUSQZCKTMG-UNOMPAQXSA-N 425.362 5.244 30 10 IKEE CCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1 1871379988 QPCRKEXZYHTZBX-FUPWBYONSA-N 426.468 5.629 30 10 IKEE CC(C)c1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871380370 KWCFEGVXQZEKNE-XGAOGLQDSA-N 428.459 6.184 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(OC(C)=O)cc4)cc(C)c3C2=O)cc1 1871382471 WWKUGXPEKIDSOP-OYKKKHCWSA-N 442.467 5.318 30 10 IKEE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)cc1 1871388397 UDAMTWTXQKVEHQ-MYYYXRDXSA-N 443.499 5.375 30 10 IKEE Cc1cccc(OCCCOc2cc(C)c3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)c1 1871405044 LMEHUAGIZVJECI-IWIPYMOSSA-N 445.471 5.676 30 10 IKEE Cc1cccc(OCCCOc2cc(C)c3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)c1 1871407115 XVBRMPVQPATWGJ-IWIPYMOSSA-N 434.919 6.421 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(O[C@H](C)C(=O)Nc3ccc(Cl)cc3)ccc2C1=O 1871413795 BQOQSZGELSRJQI-KSJDGYIASA-N 449.890 5.371 30 10 IKEE CC(=O)c1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O 1871441852 MWWNJJNNASXTJG-FMCGGJTJSA-N 447.874 5.176 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4)ccc3C2=O)c2ccccc21 1871460046 SCQIAUYFSKSTQP-QFEZKATASA-N 438.483 5.295 30 10 IKEE CCCCCCCCN=c1nc(N(CCC)CCCC)[nH]c(=Nc2ccc(F)c(F)c2)[nH]1 1871682724 JPPHSYLQNXPUFR-UHFFFAOYSA-N 448.606 5.526 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)CCCC 1871942181 JNRRNUOGPGUGGK-SFHVURJKSA-N 435.417 5.109 30 10 IKEE Cc1ccccc1OCCCC(=O)[C@@H](C#N)c1nc(-c2ccc3ccccc3c2)cs1 1872760155 IGIQYQOSEZCGOC-JOCHJYFZSA-N 426.541 6.307 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@@H](C#N)C(=O)c3ccc(F)c(F)c3F)n2)c1 1872780457 IUFYHZICPHPUKM-HNNXBMFYSA-N 446.450 5.515 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)COc2ccc(C)c(C)c2)n1 1872786394 IYFXCQGKRYXYEJ-IBGZPJMESA-N 440.952 5.653 30 10 IKEE CCCCCCCCNC1=C(c2ccc(OC)cc2)C(=O)N(CCCCCCCC)C1=O 1873142015 AWMAYFSNRRSNHN-UHFFFAOYSA-N 442.644 6.086 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cccc(C)c2C)=C(c2cccnc2)C1=O 1873265732 YSHRBXUQBIHHGL-UHFFFAOYSA-N 433.596 6.031 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(C)ccc2OCCC)=C(c2ccccc2)C1=O 1873413527 HLQWUKPFSGHVLN-UHFFFAOYSA-N 448.607 6.336 30 10 IKEE CCCCCCCCCCNC(=O)c1cc2c(N(CC)CC)ncnc2n1CCCC 1873584429 VANDBKURFLCANU-UHFFFAOYSA-N 429.653 5.948 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C(F)(F)F)cc2)cc2c(NCCCCCC)ncnc21 1873638791 LOBKLWWYAALVHU-UHFFFAOYSA-N 445.489 5.881 30 10 IKEE CCCCCCCCNC(=O)c1ccc2c(c1)C(=O)N(CCc1c[nH]c3ccccc13)C2=O 1873891454 CLOHCMIZQSYTED-UHFFFAOYSA-N 445.563 5.097 30 10 IKEE CSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1cccc(Cl)c1 1874205664 MHTRFNZPERTPQG-ZVBGSRNCSA-N 427.744 5.421 30 10 IKEE CCSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1ccccc1OC(C)C 1874252481 OKEQUYXCQQVVJL-KOEQRZSOSA-N 438.597 5.380 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2cccc(F)c2)cc1C 1874320382 OLZNJYBIZQWWSQ-JFLMPSFJSA-N 446.551 5.788 30 10 IKEE CCCSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1c(Cl)cccc1Cl 1874358879 DZVCHCXSLANRHH-ZMOGYAJESA-N 433.408 6.177 30 10 IKEE Cc1cccc(/C=N/n2c(Cc3ccccc3F)nnc2SCc2ccccc2F)c1 1874375993 YWAHSIIYRIYVIV-JFLMPSFJSA-N 434.515 5.630 30 10 IKEE C=CCSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1cccc(OC)c1OCCC 1874390195 ZZBUORDRZDHFMH-KOEQRZSOSA-N 436.581 5.135 30 10 IKEE CCOc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCc2ccc(C)cc2)cc1 1874410805 LWYHTQLLUMODBY-PCLIKHOPSA-N 448.617 5.812 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccccc2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874425959 JVKBAJJBGAMUTP-BUVRLJJBSA-N 429.505 5.336 30 10 IKEE Fc1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2ccc(C(F)(F)F)cc2)cc1 1874452833 PJYXNIAGWNXQSD-UVHMKAGCSA-N 448.489 6.268 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874503510 LOBRJQUQKIEVPE-MFKUBSTISA-N 438.597 5.509 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Cl)cc(OC)c1OCc1ccccc1F 1874576785 GHMDAYAGUAANNW-VAWYXSNFSA-N 426.871 5.971 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(Cl)cc1 1874578343 IVZSBGHKDCAQRF-XYOKQWHBSA-N 440.326 6.215 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccccc1OCC(=O)N[C@H](C)c1ccccc1 1874592157 PVJAPFTVYFBNTH-QIXNEVBVSA-N 449.934 5.501 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1ccc(Cl)cc1Cl 1874593618 SSIYIMDVIHBFOV-IZZDOVSWSA-N 428.271 6.377 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OCC(=O)Nc1ccccc1F 1874598837 HPNSCFZPRMFVKN-FMIVXFBMSA-N 433.479 5.365 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OCc1ccc(Cl)cc1 1874603030 HKTKKPMRJNHMOQ-OQLLNIDSSA-N 442.942 7.367 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OCC(=O)Nc2ccc(C)c(C)c2)c(Cl)c1 1874610422 ROVQRLQGLVSPJC-FMIVXFBMSA-N 449.934 5.879 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2OC)cc(OC)c1OCc1cc(C)ccc1C 1874611146 CSZSNMCJPDQDNN-CCEZHUSRSA-N 442.555 6.524 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc(Br)c1OCCO 1874615538 CUSIWBSQEFDKFJ-GORDUTHDSA-N 446.124 5.032 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 1874620375 WWLLBRLFTBKBCU-WUXMJOGZSA-N 435.451 5.916 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccccc1F 1874633065 KHDXHDUGSKBJSD-JLHYYAGUSA-N 447.506 5.755 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OCCc2ccccc2)c(Cl)c1 1874634688 OSVCRIJBFXRVIP-CSKARUKUSA-N 441.354 6.828 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)cc(Cl)c1OCC 1874636992 CPBXODUOZTUFKW-VOTSOKGWSA-N 429.727 6.349 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2)cc1 1874695470 DDHVPKIMPCFSNC-LFIBNONCSA-N 443.499 6.361 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(F)cc3F)c2)c1 1874699690 IIYJXVMBJIDAHW-UXBLZVDNSA-N 438.426 5.026 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)C34CC5CC(CC(C5)C3)C4)c2)cc1F 1874706882 FEHRYKKZGWKTNE-FNORWQNLSA-N 434.507 5.852 30 10 IKEE COc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3cc(C)c(OC)cc3C)ccc2OC)cc1 1874718391 WWWJRORWBBZBDF-WUXMJOGZSA-N 446.499 5.445 30 10 IKEE C=CCN(CC=C)CCC(=O)c1ccc(OC(=O)Cc2cc(Cl)ccc2Cl)cc1 1874740712 KNQFJXOGUGTJOE-UHFFFAOYSA-N 432.347 5.388 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2Cl)cc(OC)c1OC(=O)c1cnc(C)cn1 1875110246 BNAVYLVFMFDJIR-ZHACJKMWSA-N 448.906 5.291 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3Cl)c(Cl)c2)cc1 1875114612 YANZKNNFDQZPGS-WUXMJOGZSA-N 427.283 6.117 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1[N+](=O)[O-] 1875126946 HNFIATDUDWJEGO-WYMLVPIESA-N 431.444 5.038 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(OC)c1OC(=O)c1ccccn1 1875154451 FYWWDSLKVIRBNI-FOCLMDBBSA-N 449.506 6.087 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CSc3ccccc3)cc2)c(OC)c1 1875178355 GDXCKHNTQPXPKD-XNTDXEJSSA-N 434.513 5.298 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC(C)C)c(Br)c2)c(OC)c1 1875178496 NCEGWNRGPBZNGG-WEVVVXLNSA-N 447.325 5.314 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(Cl)ccc3Cl)cc2Cl)cc1 1875189255 GSYBHEPYVHCRKF-ONNFQVAWSA-N 445.729 7.071 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)ccc1OC(=O)CCCSC 1875193680 VLDQXENUUSNYJV-JXMROGBWSA-N 448.968 5.692 30 10 IKEE CCCCCCCCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n1CC(C)C 1875238752 YWLRLOHEUYUKEU-UHFFFAOYSA-N 438.616 5.484 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H](O)c1ccc(Cl)c(Br)c1F 1922087039 VSQYGKRATRWXAF-PMACEKPBSA-N 442.756 5.026 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(C)cc(Br)c1F 1926711514 NCHWDJLWSUNMAL-HKUYNNGSSA-N 441.385 5.244 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 2005383885 ZYMJVARMHCLCRX-QHCPKHFHSA-N 433.524 5.251 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@H](C#N)[C@@]1(C)CCCN1C(=O)OC(C)(C)C 2020799038 QTLNEMKXDCGWGY-WZONZLPQSA-N 433.524 5.249 30 10 IKEE C=CCCCCCC[C@H](O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2026023715 JDHHDSSGNKGRLR-JYFHCDHNSA-N 431.617 5.718 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2067217960 UDGKBWHZGVTRGM-VWLOTQADSA-N 441.572 5.502 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)cc1 2077947219 DYYRZLCJFCIQGR-PMACEKPBSA-N 443.588 5.664 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)c(Br)c1)NCC 2110501334 QXWHZKMUSHHGGM-QZTJIDSGSA-N 445.829 5.483 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)C[C@H]2CCCC[C@]2(C)C1 2154232080 JNJZTAFURVSZHY-NPFVIJTESA-N 433.390 6.443 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@H]2Nc2ccc(C#N)c(Br)c2)C1 2156235486 BMPMCBCSZYXGCA-NQIIRXRSSA-N 434.378 5.302 30 10 IKEE CN(CCc1ccc(Nc2ccc(C#N)c(Br)c2)cc1)C(=O)OC(C)(C)C 2162302994 RQMXSGWRBPBQEF-UHFFFAOYSA-N 430.346 5.474 30 10 IKEE C[C@@H](NC(=O)OC(C)(C)C)c1cccc(Nc2ccc(C#N)c(Br)c2F)c1 2162324400 OGVOKSZEAQBJBA-GFCCVEGCSA-N 434.309 5.789 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](CCNc1ccc(C#N)c(Br)c1)c1ccccc1 2162414467 KFERALSJFDKNIX-IBGZPJMESA-N 430.346 5.389 30 10 IKEE COC[C@]1([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)CC=CCC1 2166536054 ZPCGMYBZXSNAHR-RXVVDRJESA-N 435.362 5.456 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2cc(Br)c(C#N)cc2F)C[C@@H]1C1CC1 2198267877 WVIIWUDQKZNZEK-RDTXWAMCSA-N 438.341 5.050 30 10 IKEE Cc1sc([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)c(Br)c1C 2229248905 ZXAQMMVSGQKNRP-MRXNPFEDSA-N 441.435 6.652 30 10 IKEE C=C(COCc1ccccc1)[C@@]1(OCC(=O)O)CCC(F)(F)C[C@@H]1OCc1ccccc1 2261827833 IOEITIAYNURQJZ-DHLKQENFSA-N 446.490 5.004 30 10 IKEE CC1(C)OB(c2ccccc2C(=O)N(Cc2ccccc2)CC2CCCCC2)OC1(C)C 2267576385 LKRWMUTVHHHGEA-UHFFFAOYSA-N 433.401 5.209 30 10 IKEE CC1(C)OB(c2cc(N(Cc3ccccc3)C3CCCCC3)ccc2[N+](=O)[O-])OC1(C)C 2267779280 QITBUHFECVMHBD-UHFFFAOYSA-N 436.361 5.233 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](CNc2c(Br)cccc2C#N)[C@@H]2CCCC[C@H]21 2285188406 QNECIKVEPWZTNW-XYJFISCASA-N 434.378 5.158 30 10 IKEE CCCC1(C(=O)C#Cc2ccc(Br)cc2)CCN(C(=O)OC(C)(C)C)CC1 2296268050 ZSHXERDFDIIYMO-UHFFFAOYSA-N 434.374 5.187 30 10 IKEE CCN(CC)CCCN1C(=O)C(=O)C(=C(O)c2ccccc2)[C@H]1c1ccc(C(C)(C)C)cc1 2297060439 YJYCBCPJCLKPSR-XMMPIXPASA-N 448.607 5.138 30 10 IKEE Cc1cccc(CN2c3ccccc3C(=O)C(=CNc3cc(C)cc(C)c3)S2(=O)=O)c1 2297334955 HKSARGOBRDVUGW-UHFFFAOYSA-N 432.545 5.098 30 10 IKEE O=C1NC(=Nc2ccc(Cl)cc2)C(=Cc2c[nH]nc2-c2cccc([N+](=O)[O-])c2)S1 2314488925 PTRBUCMQMLUOQT-UHFFFAOYSA-N 425.857 5.166 30 10 IKEE CC(=Cc1ccccc1)C=C1SC(=Nc2ccncc2Cl)N(c2ccccc2)C1=O 2314543118 WADYOKAFGZDSQU-UHFFFAOYSA-N 431.948 6.490 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCC2(CN(C(=O)OC(C)(C)C)C2)C1 2317575760 HRHIAJQGFQANGX-VWLOTQADSA-N 441.572 5.420 30 10 IKEE CCOc1c(C=Nn2c(CC)nnc2SCc2cccc(Cl)c2)cccc1OC 2318573925 ARDNTPMJGRIURR-UHFFFAOYSA-N 430.961 5.076 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2319198591 BAPMKSNHSRMQEU-ILZDJORESA-N 447.551 5.543 30 10 IKEE O=C1C(=Cc2ccccc2OC(F)F)Oc2c1ccc1c2CN(C2CCCCCC2)CO1 2322079581 AURLYAFHQZYSRD-UHFFFAOYSA-N 441.474 5.779 30 10 IKEE CC(C)c1ccc(C=C2Oc3c(ccc4c3CN([C@H](C)c3ccccc3)CO4)C2=O)cc1 2322092187 NNIXWPIZJYLODI-LJQANCHMSA-N 425.528 6.339 30 10 IKEE CCCCOCCCN1COc2cc(C)c3c(c2C1)OC(=CC=Cc1ccccc1)C3=O 2322145353 INVHZMYZWMOHST-UHFFFAOYSA-N 433.548 5.526 30 10 IKEE Cc1ccsc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(CCCCc1ccccc1)C3 2322252252 TUZGWJKYBOLBKT-UHFFFAOYSA-N 445.584 6.156 30 10 IKEE Cc1ccc(NC(=O)COc2ccccc2C=CC(=O)c2ccc3c(c2)CCCC3)cc1C 2322328624 OGWFFEBJYQZVLA-UHFFFAOYSA-N 439.555 6.096 30 10 IKEE Cc1cc(OC(=O)C2CCCCC2)cc2c1C(=O)C(=Cc1cccc(Br)c1)O2 2322738168 CYDYYBGFADOHFM-UHFFFAOYSA-N 441.321 5.859 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1ccc2c(c1C)OC(=Cc1ccc(C)cc1)C2=O 2322758649 UNUPCPWBFFXPSB-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1ccc(F)c(F)c1)Nc1ccccc1F 2322781846 FLCYRFXCRXCKPS-UHFFFAOYSA-N 445.824 5.671 30 10 IKEE COc1cccc(C=CC(=O)c2cc(C)cc(C)c2OC)c1OCc1cccc(Cl)c1 2322856764 MEQCHTSQMHFLRT-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O 2323172431 CGGOFCXTAQUSEU-UHFFFAOYSA-N 440.495 5.932 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OCC(=O)Nc1cccc(C)c1 2323280151 XFISNXGDQURDNR-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE Cc1ccc(C)c(COc2ccc(C=CC(=O)c3ccc4ccccc4c3)cc2[N+](=O)[O-])c1 2323399926 LCOMANMFWIWINI-UHFFFAOYSA-N 437.495 6.840 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C=Cc1ccccc1Cl 2323409523 BHLDECPSFKCZCT-DEOSSOPVSA-N 441.015 5.557 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Br)cc2)ccc1OCCc1ccccc1 2323601826 YNJMTRNOLXSNFR-UHFFFAOYSA-N 437.333 5.975 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1 2323882147 HDJYFRXGWVFKCD-UHFFFAOYSA-N 440.451 5.394 30 10 IKEE Cc1cc(O)c(CN2CCC[C@H](C)C2)c2c1C(=O)C(=Cc1c(Cl)cccc1Cl)O2 2324067682 BQAZKTBDJHQTMA-ZDUSSCGKSA-N 432.347 5.856 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4cccc(C)c4C)cc(C)c3C2=O)o1 2324505468 KQTAIPPPLAHBDA-GOSISDBHSA-N 431.488 5.535 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3cc(OCCCCOc4ccccc4)ccc3C2=O)cc1 2324574755 GSIKUFDTOPUPQB-UHFFFAOYSA-N 442.555 6.838 30 10 IKEE N#C[C@@H](C(=O)C=Cc1ccc(Cl)cc1)c1nc(-c2cc(Cl)ccc2Cl)cs1 2324834546 SUJDWMFOPYEKKN-INIZCTEOSA-N 433.747 6.660 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O 2325141943 YVLORWMJNVCHIF-HXUWFJFHSA-N 439.511 5.882 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OCC(=O)Nc3ccc(C(C)C)cc3)ccc2C1=O 2325318222 CXOWQHZDCHDUDB-UHFFFAOYSA-N 433.529 5.814 30 10 IKEE CCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(Cl)cc1Cl 2325610378 VKCIBVMLQFTQLB-UHFFFAOYSA-N 425.772 5.975 30 10 IKEE CCCOc1ccc(C=Nn2c(C)nnc2SCc2ccc(F)cc2)cc1OCC 2325614174 YVPOCJNCXCSWNP-UHFFFAOYSA-N 428.533 5.088 30 10 IKEE COc1cccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(OCC(C)C)cc3)c2)c1 2325707695 VMPDCLDOEPGQBL-UHFFFAOYSA-N 430.500 5.845 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1OC(=O)c1ccccc1Cl 2325725044 QKILVCJLEOXIQG-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cccc(OC(=O)c3cc(Cl)ccc3Cl)c2)c1 2325740623 PKZUEAWOIPZRQC-UHFFFAOYSA-N 425.311 6.726 30 10 IKEE CCN(CC)C(=O)COc1ccc2c(c1C)OC(=Cc1ccc(Cl)cc1Cl)C2=O 2325743309 JLHGZXJGBUDLEB-UHFFFAOYSA-N 434.319 5.165 30 10 IKEE CCCOc1cc(C=Nn2c(CCC)nnc2SCc2ccc(C)cc2)ccc1OC 2326306250 XKRROLDZUGVOON-UHFFFAOYSA-N 438.597 5.511 30 10 IKEE CCCOc1c(C=Nn2c(CC)nnc2SCc2cc(C)cc(C)c2)cccc1OC 2326409442 ZIOWGIYRKPTACT-UHFFFAOYSA-N 438.597 5.429 30 10 IKEE Cc1ccc(CSc2nnc(C)n2N=Cc2ccccc2OCc2ccccc2)c(C)c1 2326437997 VNYQBQSXNQPANG-UHFFFAOYSA-N 442.588 5.957 30 10 IKEE COc1ccc(C=Nn2c(C)nnc2SCc2c(F)cccc2Cl)cc1OC(C)C 2326567843 OWRGPXIDWIHCSB-UHFFFAOYSA-N 448.951 5.349 30 10 IKEE N#Cc1ccc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccccc2F)cc1 2326684118 YVXCGOTXZMAWPM-UHFFFAOYSA-N 441.535 5.249 30 10 IKEE CCCCC1CCC(c2nnc(SCCO)n2N=Cc2ccccc2OC(C)C)CC1 2328205083 JZMOMYFPZKJBID-UHFFFAOYSA-N 444.645 5.496 30 10 IKEE Cc1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2C)cc1 2329805429 GGXYELJSMHXPMZ-UHFFFAOYSA-N 430.552 5.799 30 10 IKEE Cc1ccc(C)c(CSc2nnc(COc3ccccc3)n2N=Cc2ccccc2)c1 2329919041 RUDCECFPBKCRKI-UHFFFAOYSA-N 428.561 5.648 30 10 IKEE COc1ccc(C=Nn2c(Cc3ccc(C)cc3)nnc2SCc2ccc(F)cc2)cc1 2329943765 STJWIPOKAZPXEY-UHFFFAOYSA-N 446.551 5.500 30 10 IKEE Cc1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2[C@H](C)c2ccccc2)cc1 2330066025 DEDFMXDJHLAUMN-LJQANCHMSA-N 430.552 6.052 30 10 IKEE Cc1cccc(CSc2nnc([C@@H](C)c3ccccc3)n2N=Cc2cccc(O)c2)c1 2330075658 CQRZZULLUADHCF-IBGZPJMESA-N 428.561 5.618 30 10 IKEE CCCSc1nnc(-c2ccccc2)n1N=Cc1ccc(OCc2ccccc2C)cc1 2330680811 FDOALGKRSLLEAF-UHFFFAOYSA-N 442.588 6.217 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Br)c(OC(=O)C3CCC3)c(OC)c2)cc1 2330763033 GPDJSHLUGTWCFT-UHFFFAOYSA-N 443.337 5.622 30 10 IKEE CCCOC(=O)CSc1nnc(C2CCCC2)n1N=Cc1c(Cl)cccc1Cl 2331101197 XZUYJCKFLFOLLG-UHFFFAOYSA-N 441.384 5.170 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1OCC 2331132518 PHZRYIHXILPGIX-UHFFFAOYSA-N 442.983 7.291 30 10 IKEE COc1ccccc1C(=O)Oc1c(OC)cc(C=CC(=O)c2ccc(C)cc2)cc1OC 2331259628 FCCXBCKOARRVTR-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)c1ccc(CC)cc1 2331278928 SNUWSJRRONOWOZ-UHFFFAOYSA-N 448.946 6.725 30 10 IKEE COc1ccc(OC)c(C=Nn2c(CC(C)C)nnc2SCc2cc(C)ccc2C)c1 2331456369 GCRVVJIZUWAVNP-UHFFFAOYSA-N 438.597 5.285 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1Cl)c1ccc(Cl)cc1 2331472221 BDUDRYPJHRSKCT-UHFFFAOYSA-N 447.317 7.262 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1ccccc1Cl 2331503825 KSADMZKQRCWAQW-UHFFFAOYSA-N 448.946 6.977 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(C=CC(=O)c2ccc(F)cc2)cc1Cl 2331522954 QKLPRDIRLFTYNV-UHFFFAOYSA-N 438.882 5.922 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3cnc(C)cn3)cc2)cc1C(C)C 2331571706 BCJBVLWTWGJHGG-UHFFFAOYSA-N 430.504 5.341 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OC(=O)CC(C)(C)C 2331591047 KCHJGSYMBNQLPZ-UHFFFAOYSA-N 438.564 6.373 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)CCc2ccc(Cl)cc2)cc1 2331659535 VBZCDBLHTUBCKZ-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE CC(C)c1nnc(SCCc2ccccc2)n1N=Cc1cccc(Br)c1 2331703389 BSGSRBAXAYLVOD-UHFFFAOYSA-N 429.387 5.381 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3c(C)cc(C)cc3C)cc2[N+](=O)[O-])cc1 2331768900 ADIFFCRMWYBNPS-UHFFFAOYSA-N 429.472 5.944 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C)c(OC)cc3C)cc2)c1 2331835389 BVIHFOCYZGAAIE-UHFFFAOYSA-N 430.500 5.826 30 10 IKEE CCCCc1ccc(-n2nnc(C#N)c2NC(=O)C=Cc2ccc(Cl)cc2Cl)cc1 2332187673 YQVANJHJSVBYBZ-UHFFFAOYSA-N 440.334 5.440 30 10 IKEE CSc1cc(Oc2cc(NC(=O)OC(C)(C)C)ccc2Br)ccc1C#N 2353831087 HHXSQTLKAQWTJO-UHFFFAOYSA-N 435.343 6.182 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2c(Cl)ccc(Cl)c2Cl)cc1 2364580113 LQJSNWURKKDCMV-INIZCTEOSA-N 425.743 6.962 30 10 IKEE CCN1C/C(=C\c2ccc(N(CC)CC)cc2)C(=O)/C(=C/c2ccc(N(CC)CC)cc2)C1 12604874 SBBSOVIOYNQVMD-FQHZWJPGSA-N 445.651 5.751 30 10 IKEE CCOc1c(OC)cccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1cccs1)C2 21221619 WWPNMKVNGFTJEV-PUAOIOHZSA-N 446.572 6.135 30 10 IKEE O=C1NC(=N/c2ccc(Cl)cc2)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)S1 33568083 XIISRWLACREXRH-YVLHZVERSA-N 449.746 7.434 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)C)cc2)c1 33697726 UREMOTCZBAASEW-XMMPIXPASA-N 429.516 5.798 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C\c2ccc(OC(=O)/C=C\c3ccccc3)c(OC)c2)c1 34955178 MDPGCHAZVFWNBH-VOMBDBIZSA-N 444.483 5.227 30 10 IKEE Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)c2c(C)c(C#N)c(=O)n(C3CCCCC3)c2O)c1 38618392 XGPDKKWCJBZARP-SFHVURJKSA-N 436.552 5.321 30 10 IKEE Cc1c(/N=N/c2cc(Cl)ccc2Cl)c(O)n(CCc2ccccc2)c(=O)c1C#N 39870571 GLSNCSIEDWYGNO-OCEACIFDSA-N 427.291 5.699 30 10 IKEE Cc1c(OCC(=O)OCc2ccccc2)ccc2c1O/C(=C\c1ccc(C(C)C)cc1)C2=O 41432499 RNZJLWAKIBYRIX-MYYYXRDXSA-N 442.511 5.857 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN([C@H](C)c1ccccc1)C3 41646426 KCJICCJJKFFWRL-MGKUZBKYSA-N 441.527 5.923 30 10 IKEE C=CCn1c(CNc2ccc(C)cc2)nnc1SCCC(=O)Nc1ccc(C)cc1C 59265719 BSJTZGJRMNTHRU-UHFFFAOYSA-N 435.597 5.122 30 10 IKEE Oc1ccc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1N1CCc2ccccc2C1 59463173 UTVVWCGRQAIDEF-XODNFHPESA-N 430.857 6.378 30 10 IKEE C#CCOc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccc(Cl)cc2)cc1 64795599 KJVZSUHPCRHFSR-QGZVFWFLSA-N 437.904 5.253 30 10 IKEE CCCCCCCCCCCCCCCCNC[C@H](C)Oc1ccc(Cl)cc1Cl 100023303 UDWWDLACYDYHJD-QFIPXVFZSA-N 444.531 8.832 30 10 IKEE CCCCCCCCCCCCCCCCNCC(=O)Nc1ccc(N(C)C(C)=O)cc1 100055478 MMBLILBHRNDPAA-UHFFFAOYSA-N 445.692 6.679 30 10 IKEE O=C1/C(=C/c2cccc3ccccc23)S/C(=N/c2cccnc2Cl)N1c1ccccc1 101126888 IVMRVTSJVHUEPY-HPDDVHGTSA-N 441.943 6.697 30 10 IKEE CCCCCCCn1c(CCCCCNC(=O)c2ccc(Cl)cc2)nc2ccccc21 102171337 AWEJMUCUGLAGFS-UHFFFAOYSA-N 440.031 6.803 30 10 IKEE C=CCOc1c(Br)cc(/C=C\c2ccc3cccc(O)c3n2)cc1OCC 102389824 WEJKNKHXSKYPOW-NTMALXAHSA-N 426.310 5.837 30 10 IKEE Cc1ccc(COc2ccc3c(c2)O/C(=C/c2cc(Cl)cc4c2OCOC4)C3=O)cc1 103024053 LMNUULUBHCFVST-AUEPDCJTSA-N 434.875 5.710 30 10 IKEE Cc1c(Cl)cccc1N/C=C1/C(=O)c2ccccc2N(Cc2ccccc2)S1(=O)=O 103165221 VJCKBXYFXHEXNL-HMAPJEAMSA-N 438.936 5.135 30 10 IKEE Cc1ccc(COc2ccccc2/C=N\n2c(C)nnc2SCc2ccccc2)cc1 138208583 GXBRKVLCKLXSFI-QQXSKIMKSA-N 428.561 5.648 30 10 IKEE Cc1ccc(N/N=C/c2cc(Br)c(OC(C)C)c(Br)c2)cc1 169877645 PHNRXZJYLWAIAN-KEBDBYFISA-N 426.152 5.753 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\NC(=S)NC2CCCCC2)c(Cl)c1 169941705 LXZUDHMUMPQKAD-BWAHOGKJSA-N 438.081 6.600 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1c1ccccc1C 169946145 MPOUDUQGEQHWCA-DEOSSOPVSA-N 439.467 5.533 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccc(F)c(F)c2)c1 169968437 JGKVVBVPVKWCHS-JOCHJYFZSA-N 437.417 5.504 30 10 IKEE CC(C)Oc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCC2)c1 169981420 FLSQFKDBGRSPIN-JOCHJYFZSA-N 439.939 5.648 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1cccs1)c1ccc2ccccc2c1 169985908 SZXWOWUNGVGCNN-QFIPXVFZSA-N 445.927 6.338 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccncc2)c1 170016386 DTCYTTQJXMIINJ-DEOSSOPVSA-N 442.515 5.387 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2ccccc2)s1 170052139 AOMPWZZMMUPWMI-LJQANCHMSA-N 438.936 5.505 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccccc2F)cc1 170069531 KYNUIIPBFQIVJU-HSZRJFAPSA-N 431.463 5.180 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@@H]2c2ccco2)cc1C 170092646 RGWOKSGHOIKDMU-HXUWFJFHSA-N 441.842 5.172 30 10 IKEE CCOc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccco2)c1 170097784 AMHOSADTLXMFMT-OAQYLSRUSA-N 437.879 5.110 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1Cc1ccc(F)cc1 170107899 OALGBUHWSYWVQT-OAQYLSRUSA-N 446.503 5.455 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1ccc(OC(C)C)cc1 170152535 JJNXXZOFAXICDU-JOCHJYFZSA-N 449.503 5.217 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccs2)cc1 170159254 MFDGROMNYNADPE-JOCHJYFZSA-N 433.529 5.566 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1cccc(O)c1 170259373 UAQRQZXYHVZRJH-OAQYLSRUSA-N 449.890 5.146 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@@H]1c1ccc(CC)cc1 170267804 LBEMHTZIMPAXFS-NRFANRHFSA-N 441.955 5.598 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2C)cc1C 170271320 RVVIARPXINXHQZ-DEOSSOPVSA-N 445.490 5.542 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccco2)cc1 170281004 LVKINUMFKWTUIF-OAQYLSRUSA-N 432.432 5.094 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2cccc(Cl)c2)o1 170303478 FPGBQLBATZJJJJ-HSZRJFAPSA-N 443.886 6.178 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccc(C)o2)c1 170304731 IQCJCOBTLYOKGQ-XMMPIXPASA-N 445.515 5.777 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2ccccc2C)o1 170305563 MLFYNRJGGPTDQJ-QHCPKHFHSA-N 431.488 5.467 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(C(C)C)cc2)c1 170378153 BLXMJXLLGZQUFT-QHCPKHFHSA-N 431.488 5.585 30 10 IKEE CCOc1cc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C)cc2C)ccc1OC 170441333 ARHYTFXUIDWSTC-QHCPKHFHSA-N 447.487 5.087 30 10 IKEE N#C[C@H](Nc1ccc(Br)cc1)c1ccc(Br)c(Br)c1 232451999 SEJIMHUPXFMQDS-AWEZNQCLSA-N 444.952 5.651 30 10 IKEE C=CCn1c(SCC(=O)O[C@@H](CC)CCCC)nnc1C12CC3CC(CC(C3)C1)C2 253567129 JSWVJCYMESUBOM-WNZYQOIOSA-N 431.646 5.536 30 10 IKEE Cc1ccccc1NC(=O)c1cc2ccccc2c(C=Nc2ccc([N+](=O)[O-])cc2O)c1O 254310237 SIXPAKGLZODCKV-UHFFFAOYSA-N 441.443 5.471 30 10 IKEE CN1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)SC1=Nc1ccc(N2CCOCC2)cc1 254450312 UHNDKKPQBIPCFW-HWIZRRTMSA-N 435.593 5.055 30 10 IKEE COC(=O)c1ccc(N2Cc3ccccc3C2=NC(=O)c2c(Cl)cccc2Cl)cc1 254599970 AEVFNYLEFIKKQP-UHFFFAOYSA-N 439.298 5.387 30 10 IKEE CSc1nc(O)c(C(=O)N[C@H](CCCCc2ccccc2)c2ccccc2)cc1C#N 479372408 RBQKLBBVSPMYHF-JOCHJYFZSA-N 431.561 5.265 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(C(C)C)cc2)cc1 526487399 ZNWYMBBCMLMSFH-SANMLTNESA-N 438.527 6.138 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3ccc(OCc4ccccc4)cc3)[C@H]2c2ccco2)c1 526521926 NVNQDOLPEYUICC-AREMUKBSSA-N 448.478 5.787 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1cn(CC)c2ccccc12 526802544 JLJAIFPBUDQEBY-YSMPRRRNSA-N 435.572 5.909 30 10 IKEE CCCOc1cc(/C=N\n2c(CC)nnc2SCc2ccc(C)cc2C)ccc1OC 526812149 ZXIWQXRNAMJKHX-MYYYXRDXSA-N 438.597 5.429 30 10 IKEE C=C(C)CN(c1cccc(OC(F)(F)F)c1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586251446 QJFWZSGYZIKLJK-UHFFFAOYSA-N 427.488 5.654 30 10 IKEE CCCCCCCCC[S@@](=O)[C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 586290062 UWAXLAMTZMGHAA-PGGUUEOZSA-N 425.944 6.185 30 10 IKEE N#Cc1cc(Nc2nc(Br)c(Br)s2)ccc1Br 686912467 QOHMSUCKDWYJGF-UHFFFAOYSA-N 437.942 5.046 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 698853157 AQKHODKXQDWRJB-YADARESESA-N 447.551 5.639 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 698855560 ZYSBUVNANNJYLA-CYFREDJKSA-N 447.551 5.639 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CC[C@H](C)N(C(=O)OC(C)(C)C)C2)cc1 698891019 WSPUJDJTPPCVCC-MHECFPHRSA-N 429.561 5.418 30 10 IKEE CCOc1ccc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2ccc(CC)cc2)cc1 762445247 KLQOZYMVVNATIZ-UHFFFAOYSA-O 430.553 5.130 30 10 IKEE C/N=C1/S/C(=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)C(=O)N1C 1084449897 XHEPKAKKBFBYBJ-CZXVDXGMSA-N 443.775 5.379 30 10 IKEE Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(N=Cc3ccc(Br)cc3)cc1)N2 1084570923 AARNPXITCXVHCB-PLXFJCCSSA-N 443.388 7.335 30 10 IKEE C=CCC[C@@H](NC(=O)N[C@@H](COC(=N)O)Cc1ccccc1)c1ccc(C(F)(F)F)cc1 1469492098 SIPMEJFZHLOOPQ-WOJBJXKFSA-N 449.473 5.133 30 10 IKEE O=C1/C(=C/c2ccco2)SC(=Nc2nc(-c3ccccc3)cs2)N1c1ccccc1 1772735222 HCKKKOBPZTWPPH-VASVRFFCSA-N 429.526 6.212 30 10 IKEE C/C(=C1/SC(=Nc2cccc(C(=O)O)c2)N(c2ccccc2)C1=O)c1ccc(F)cc1 1772738415 VOQPFHCAOYMABQ-POLMPROESA-N 432.476 5.723 30 10 IKEE O=C1NC(=NN=Cc2ccc(-c3ccc(Cl)cc3)o2)S[C@@H]1Cc1ccc(Cl)cc1 1772741747 ARYQXKHQZZKTEZ-LJQANCHMSA-N 444.343 5.418 30 10 IKEE Fc1c(F)c(F)c(-c2cc(I)cc(C(F)(F)F)c2)c(F)c1F 1848359570 HGCLDYOAUPTQNJ-UHFFFAOYSA-N 438.055 5.673 30 10 IKEE COc1ccc(-n2nc(C(=O)Nc3ccccc3C#N)c(Cl)c2-c2ccccc2)cc1 1859382406 ZDKAHYUKZWTNRX-UHFFFAOYSA-N 428.879 5.325 30 10 IKEE Cc1ccc(CCCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c(C)c1 1859650043 DCUTWXAZNFMITP-UHFFFAOYSA-N 434.539 7.064 30 10 IKEE C=CCOC(=O)c1sc(NC(=O)c2ccc3oc(-c4ccc(C)cc4)nc3c2)nc1C 1859736980 GMSNMWOPVPCPFC-UHFFFAOYSA-N 433.489 5.163 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1cccc(F)c1 1862413375 AWUOXPFTUIFVQA-YIILKADPSA-N 429.438 5.261 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@H]1c1ccccc1F)c1ccccc1Cl 1862431051 YMQYOGVLHNEVGD-QHCPKHFHSA-N 449.909 5.690 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccccc1Br 1862440375 WQTOONMOLLEPSZ-QGZVFWFLSA-N 434.717 5.089 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(C(F)(F)F)cc1 1862451106 XCEQYRYAZNOLKC-KPZWWZAWSA-N 437.845 5.736 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccccc2Cl)cc1 1862476617 MKCGRKFRTPNWPX-QHCPKHFHSA-N 435.951 6.117 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccc2C)c1 1862490226 QIFKKUOWQBZRHC-DEOSSOPVSA-N 429.491 5.529 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cc(Cl)cc(Cl)c1 1862509111 XVCZKIKQKKBXQS-LJQANCHMSA-N 436.310 5.819 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@H]2c2cccc(F)c2)cc1 1862530183 NUANVGNELVFPOH-DEOSSOPVSA-N 445.490 5.175 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1cccc(OCCC)c1 1862537496 WYLXBQHUEKXTLU-DEOSSOPVSA-N 435.564 5.806 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2ccccc2)cc1 1862554518 FAKQDSXVOGVYJP-OSPHWJPCSA-N 426.516 5.171 30 10 IKEE COc1cc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C2CCCC2)ccc1O 1862620044 JKOQDUDKILOTHI-HSZRJFAPSA-N 449.547 5.219 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(Cl)cc1Cl 1862622460 DWKPHNUDPNYUDI-IBGZPJMESA-N 432.347 5.889 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1c(F)cccc1Cl 1862666378 CHCSSVWNSWGAAD-NRFANRHFSA-N 445.918 5.217 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1c(Cl)cccc1Cl 1862667811 KPNMJMDIYGZFFN-QKKBWIMNSA-N 446.374 6.494 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862667963 NLKUMOMDHAJBIZ-SZNDQCEHSA-N 446.374 6.494 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1Cl 1862712140 KHVNNCCSONVCHL-DEOSSOPVSA-N 447.962 6.652 30 10 IKEE CCCOc1ccc(C2=C(Nc3cccc(C)c3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862981625 XTWFYNRUBCUEQY-UHFFFAOYSA-N 437.499 5.052 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(OC)cc2)=C(c2ccc(C)c(C)c2)C1=O 1863247145 PBKVNIMLMFSWEX-UHFFFAOYSA-N 434.580 5.865 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(C)c(C)c3)C2=O)cc1 1863254347 XSGCIOBPWKAJFX-HXUWFJFHSA-N 449.554 5.691 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(CC)cc1C(=O)O 1866030091 YFNYMGRHHIOYBM-UHFFFAOYSA-N 431.661 8.147 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC[C@H](C(=O)CCCc3ccccc3)C2)nc(C(C)C)n1 1869105019 CHUUNRHVAJQAMF-DEOSSOPVSA-N 446.639 5.587 30 10 IKEE CCCCCCCCn1cc(OCCCOc2ccccc2)c(=O)cc1CSCCO 1870172184 ONNYZLPCKXVVMV-UHFFFAOYSA-N 447.641 5.282 30 10 IKEE CCCCCCCCCCn1cc(OCCCCCCC)c(=O)cc1CN1CCOCC1 1870411986 VEDPQTHFULFGHM-UHFFFAOYSA-N 448.692 6.170 30 10 IKEE CCCCCCCOc1cn(CCCN(CC)CC)c(CNc2ccccc2C)cc1=O 1870837706 UFOWOKVPYXTMKJ-UHFFFAOYSA-N 441.660 5.850 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(C)cc2)c(CNc2cc(C)cc(C)c2)cc1=O 1870839217 ATVXXYGLVQDOFK-UHFFFAOYSA-N 446.635 6.783 30 10 IKEE C#CCOc1cn(Cc2cccc(C)c2)c(CNc2cc(C(C)C)cc(C(C)C)c2)cc1=O 1871004506 IXBOIWGJBRSRNB-UHFFFAOYSA-N 442.603 6.076 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3cc(OC(=O)Cc4ccccc4[N+](=O)[O-])ccc3C2=O)cc1 1871374446 KVSVAPKFRVEPDX-CFRMEGHHSA-N 443.455 5.483 30 10 IKEE O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc2c(c1)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 1871375115 TUFPESLDWOCVPN-AGWINUGJSA-N 447.830 5.483 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc(C)c2C1=O 1871382587 XVYFHPZIZXMKDC-RMAQBEHBSA-N 447.468 5.508 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(OC(C)C)cc4)c3C)C2=O)cc1 1871387999 GGBPWCCEHROLRA-IWIPYMOSSA-N 428.484 5.926 30 10 IKEE CC(C)C(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871390888 NXFVNIHMCGSJPU-QRVIBDJDSA-N 446.430 5.223 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O 1871403146 STQBNFNFLGZYIG-XHFXOGKZSA-N 427.500 5.580 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2sccc2C)C3=O)c(C)c1 1871413484 HSDWPVQXHIIPGU-QLTNSANVSA-N 447.556 6.004 30 10 IKEE O=C1/C(=C/c2c(Cl)cccc2Cl)Oc2cc(OCc3cccc4ccccc34)ccc21 1871434273 LGONIRPQWVHJKB-QFEZKATASA-N 447.317 7.342 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(Cl)c(C)c2)[nH]c(N(C)CCCC)n1 1871663962 UPULEXSEHIPPKQ-UHFFFAOYSA-N 433.044 6.008 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccccc1CC)S(=O)(=O)c1ccc(C)cc1 1872475085 AKXPWTLDCIGYSX-XMMPIXPASA-N 442.625 5.322 30 10 IKEE COc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)cc1 1872764870 AIBLVLSMBFGUJP-HXUWFJFHSA-N 436.533 5.171 30 10 IKEE Cc1cc(OCC(=O)[C@@H](C#N)c2nc(-c3cccc4ccccc34)cs2)ccc1Cl 1872774794 CACBJVMIKSYHNJ-HXUWFJFHSA-N 432.932 6.180 30 10 IKEE COc1ccc(CC(=O)[C@H](C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)c(OC)c1 1872778581 OMXUKNCTNKYFDB-FQEVSTJZSA-N 434.561 5.480 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)CCCOc2ccccc2)n1 1872785776 VRNSYEZVCYYBJR-JOCHJYFZSA-N 432.589 6.452 30 10 IKEE Cc1ccc(C)c(OCC(=O)[C@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)c1C 1872787736 QLMNSUUWIKHXGB-KRWDZBQOSA-N 445.371 6.297 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C(=O)OC)c2)=C(c2ccccc2C)C1=O 1873305426 CXIKDZSOEVWBRV-UHFFFAOYSA-N 448.563 5.334 30 10 IKEE Sc1nnc(CCc2ccccc2)n1/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 1873502141 BQIKNQJKDFAMET-WGOQTCKBSA-N 448.979 5.467 30 10 IKEE C=CCN(CC=C)C(=O)c1ccc2nc(-c3ccccc3OCc3ccccc3C)[nH]c2c1 1873504514 YZGGARNGLMKCPR-UHFFFAOYSA-N 437.543 5.932 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(Cl)c(Cl)c1)n2C 1873620214 ZGHHHYKVAJYUHO-UHFFFAOYSA-N 448.398 6.300 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(F)c(Cl)c1)n2CCCC 1873657018 SHWSLYLGKTTXRS-UHFFFAOYSA-N 441.938 5.455 30 10 IKEE C=CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1ccc(CC)cc1 1874202890 FHIHOTSGDPHHFW-WPWMEQJKSA-N 448.636 6.186 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1ccc(OC)cc1 1874258197 OQJPRRJJNDXVNT-MFKUBSTISA-N 436.581 5.369 30 10 IKEE C=C(C)CSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1c(F)cccc1Cl 1874288303 YDNCOTNJEUWMRX-VULFUBBASA-N 449.039 7.085 30 10 IKEE Cc1cccc(CSc2nnc(COCc3ccccc3)n2/N=C/c2ccccc2F)c1 1874353975 LAZXBJSOYAWRPH-JFLMPSFJSA-N 446.551 5.617 30 10 IKEE CCSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1c(OC)ccc2ccccc12 1874357930 GSYWINPXRWYDCW-WGOQTCKBSA-N 430.577 5.642 30 10 IKEE COc1cccc(/C=N/n2c(Cc3ccccc3F)nnc2SCc2ccccc2C)c1 1874374577 CSNKLKIAJVENFE-JVWAILMASA-N 446.551 5.500 30 10 IKEE CCSc1nnc(CCc2ccccc2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874402785 HKOOJRUOVKJSHJ-ZXVVBBHZSA-N 442.588 5.637 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2ccc(F)cc2)nnc1-c1ccccc1 1874426499 LGVUHFGHDILSFY-WPWMEQJKSA-N 446.551 6.048 30 10 IKEE O=[N+]([O-])c1ccccc1/C=N/n1c(SCc2ccccc2Cl)nnc1-c1ccccc1 1874428643 TWMIUFKXGYOSIS-ZVHZXABRSA-N 449.923 5.681 30 10 IKEE CN(C)c1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2cccc(F)c2)cc1 1874437441 ASZKCFWQWCUZSR-MFKUBSTISA-N 425.577 5.246 30 10 IKEE C=C(C)CSc1nnc(CC(C)(C)C)n1/N=C/c1ccc(OCCCC)c(OC)c1 1874438496 FBLJFCSZXVXAJV-BUVRLJJBSA-N 430.618 5.605 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccco2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874464737 YYRRHIRBTQPAJD-WGOQTCKBSA-N 430.577 6.319 30 10 IKEE Cn1cc(/C=N/n2c(SCc3cccc(F)c3)nnc2-c2ccco2)c2ccccc21 1874466729 YJDICHGTXJNIPS-DHRITJCHSA-N 431.496 5.343 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc(Cl)c(Cl)c1 1874508164 PHARLJZLYVNRIZ-FOKLQQMPSA-N 439.799 6.365 30 10 IKEE Clc1ccc(CSc2nnc(C3CC3)n2/N=C/c2c(Cl)cccc2Cl)cc1 1874520652 SHAYUIBTMFYABG-AUEPDCJTSA-N 437.783 6.290 30 10 IKEE Clc1ccc(CSc2nnc(C3CC3)n2/N=C/c2ccccc2Cl)cc1Cl 1874523151 FHXGLCSHLGFDPV-AUEPDCJTSA-N 437.783 6.290 30 10 IKEE CCc1nnc(SCC(=O)Nc2ccccc2C)n1/N=C/c1c(Cl)cccc1Cl 1874524480 PYFWHGQHNSMOMG-FOKLQQMPSA-N 448.379 5.069 30 10 IKEE Cc1ccc(Cc2nnc(S)n2/N=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1 1874561248 JUKCHUVZFJFVDV-CVKSISIWSA-N 432.524 5.066 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 1874586111 WOFYSCOCPIAXCV-PKNBQFBNSA-N 441.354 7.094 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1c(OCc2ccccc2)ccc2ccccc12 1874589779 CKATZAKRQHAWGP-ISLYRVAYSA-N 434.579 7.921 30 10 IKEE CCc1ccccc1NC(=O)COc1cc(/C=C/C(=O)c2cccc(OC)c2)ccc1OC 1874593952 KCSFFYYCPKQAIJ-WYMLVPIESA-N 445.515 5.180 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1cccc(Cl)c1 1874612256 KYBOCCXXLKQHEU-UXBLZVDNSA-N 445.715 6.717 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(OC)c1OCc1ccccc1Cl 1874612405 SZXTYKWDMBSBPA-ZHACJKMWSA-N 443.326 6.486 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1C 1874636851 VOMABAABPAHCGS-FFXXTYGZSA-N 443.543 5.464 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc3cc(Cl)ccc3n2)c1)c1ccc(Cl)cc1 1874700992 WDIMKVVLSHXOGA-YIXHJXPBSA-N 448.305 6.657 30 10 IKEE CCc1ccccc1OCC(=O)Oc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC 1874713568 DAUQSMCKKZEJDJ-SDNWHVSQSA-N 444.527 5.755 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OC(=O)Cc1ccc(Cl)cc1 1874714019 ZYTNFRJUZRYMFQ-KPKJPENVSA-N 434.919 6.010 30 10 IKEE C=CCN(CC=C)CCC(=O)c1ccc(OC(=O)c2cccc(Oc3ccccc3)c2)cc1 1874742249 GNSZACGCSDFYMZ-UHFFFAOYSA-N 441.527 5.945 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1cccc(OC)c1 1875094233 IEATYXBHOHTWRH-ZRDIBKRKSA-N 447.443 5.117 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OC(=O)c1ccco1 1875104752 MKDAZMQJPMFGCF-VMPITWQZSA-N 447.270 5.719 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)c1ccco1 1875124851 FTYPJOFUTXINPH-VMPITWQZSA-N 432.806 5.725 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2Cl)cc1 1875133078 CXINYUXTPFPLJA-XNTDXEJSSA-N 432.947 6.645 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)c1cc2ccccc2n1C 1875141275 WHULWEKQBOOTKF-ACCUITESSA-N 439.511 5.919 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)c1ccc(F)cc1 1875142492 GFZAJIXZIFFBLX-AWNIVKPZSA-N 448.465 6.126 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2cc(OC)ccc2OC)cc1 1875145519 LFSZSCARGXVXFL-RVDMUPIBSA-N 446.499 5.147 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3cc(C)cc(C)c3OC)cc2)cc1 1875170022 YKZNAKQOBHDWHE-NTEUORMPSA-N 430.500 5.365 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3c(C)cc(C)cc3C)cc2[N+](=O)[O-])cc1 1875183201 OWXFJRKWGAYGTC-XYOKQWHBSA-N 443.499 6.198 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N1CCCCCC1)n2CC(C)C 1875210414 LUUHVFZLTOSSAG-UHFFFAOYSA-N 427.637 5.876 30 10 IKEE C#CCCCCC[C@H](N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875646723 PKLCRBNKRNDCGK-LITSAYRRSA-N 443.587 5.789 30 10 IKEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)Nc3cc(C(C)(C)C)cc(C(C)(C)C)c3)n[nH]2)c1C 1889685238 RNRSQJCVGJPWIC-UHFFFAOYSA-N 447.627 6.313 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](CNC(=O)OC(C)(C)C)C1CCCC1 1922125504 NJPAZCQEMCNQHV-ZEQRLZLVSA-N 430.633 5.459 30 10 IKEE CC(C)(C)OC(=O)N1CCC([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)CC1 1944712947 KICCPXZQUAKAML-IBGZPJMESA-N 433.524 5.106 30 10 IKEE C#CCCN(CCC)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)CC 1984778027 AVIOOKFBYBTFFC-IBVKSMDESA-N 446.591 5.202 30 10 IKEE C[C@@H]1CC[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)[C@@H](OCc2ccccc2)C1 1998820956 CGBBFNVWRJTFQJ-QMHWCDLVSA-N 427.549 5.592 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)C1 2004675391 VRSVXJMJRPQTKE-DHIUTWEWSA-N 430.633 5.411 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C12CCC2 2020571969 HWQCVBWJPDSUCY-FQEVSTJZSA-N 447.498 5.002 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@@H](C#N)[C@]1(C)CCCN1C(=O)OC(C)(C)C 2020802870 QTLNEMKXDCGWGY-MBSDFSHPSA-N 433.524 5.249 30 10 IKEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2033644619 CFUKTJVKKYOBEL-YLJYHZDGSA-N 449.567 5.646 30 10 IKEE O=C1C(=Cc2cccc(F)c2)SC(=Nc2cccc3ccccc23)N1C[C@@H]1CCCO1 2040469856 PUHJTEZAQSLHBG-FQEVSTJZSA-N 432.520 5.762 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)CC12CCC2 2063292958 RSBBFQKEFGCNGO-VWLOTQADSA-N 441.572 5.644 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@@H](NC(=O)OC(C)(C)C)C1(C)C 2066216280 AEAXVAXWPQMYLV-HOYKHHGWSA-N 445.560 5.022 30 10 IKEE CC(C)c1nn([C@@H](c2ccc(C3CC3)cc2)C(C)(C)C)c(I)c1C#N 2079016744 RJZVGLVSPUQNFY-IBGZPJMESA-N 447.364 5.996 30 10 IKEE CCc1nn([C@@H](c2ccc(C(F)(F)F)c(F)c2)C2CCC2)c(Br)c1C=NO 2079969670 HGHFJIKYSFTSAY-MRXNPFEDSA-N 448.258 5.564 30 10 IKEE CC(=O)Oc1ccc([C@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C(C)(C)C)cc1 2080080407 UPFRWWDPTOHAPR-SFHVURJKSA-N 448.361 5.066 30 10 IKEE CCCCC#CC[C@H](N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2139061200 ZOOJDTHIAGRNOG-WNJJXGMVSA-N 443.587 5.789 30 10 IKEE C=C([C@@H](NCCC)[C@H](O)c1scc(Br)c1Br)C(C)(C)C 2152975375 BURITSSTSAQMIG-OLZOCXBDSA-N 425.230 5.277 30 10 IKEE CN(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@H]1N(C)c1cc(Br)c(C#N)cc1F 2203606256 KMUDCIDYPVTQEK-IAGOWNOFSA-N 440.357 5.074 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1sc(C)c(Br)c1C 2219016748 FYXAQZDKBGZHPB-ZBFHGGJFSA-N 429.424 5.085 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)cc(F)cc1Br 2233944824 IDUZSFCSOGOZOC-AEFFLSMTSA-N 445.348 5.075 30 10 IKEE C#CCCN(C(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 2243924775 LNVHSGZRWNBMLO-SANMLTNESA-N 446.591 5.200 30 10 IKEE CC[C@H](C)N(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(C)C)c1 2267102769 YKUVAEPKPJHGTQ-FQEVSTJZSA-N 435.417 5.550 30 10 IKEE NCCO[C@H](CC#CC1CC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2276272599 NBFIPDSZWDDBLU-HHHXNRCGSA-N 441.571 5.665 30 10 IKEE C=CCN1C(=O)C(=Cc2cccc(OCCCOc3ccc(Cl)cc3)c2)SC1=S 2293668615 BNQCOUHNXZVGDO-UHFFFAOYSA-N 445.993 5.575 30 10 IKEE CCN1C(=C2SC(=Nc3ccc(C)cc3)N(C3CCCCC3)C2=O)Sc2ccccc21 2295172574 CHSNQBDGKGXTSF-UHFFFAOYSA-N 449.645 6.692 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC 2296219676 QQEGIMCYZMXPJE-VDGAXYAQSA-N 437.422 5.108 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@H](C)CCCNC(=O)OC(C)(C)C 2296265900 CITPHPAHLKLDGV-XLIONFOSSA-N 437.422 5.110 30 10 IKEE O=C(C=CC1=NN(c2ccccc2)[C@@H](c2ccccc2)C1)c1ccc(-c2ccccc2)cc1 2297201522 KIFCNWJRTXNGKJ-GDLZYMKVSA-N 428.535 7.100 30 10 IKEE O=C(Nc1sc(NN=CC=Cc2ccccc2)nc1-c1ccccc1)c1ccc(F)cc1 2297558868 WUEHLAZWAATKHX-UHFFFAOYSA-N 442.519 6.313 30 10 IKEE O=C(C=C(Nc1ccccc1)SCc1c(Cl)cccc1Cl)c1ccc(F)cc1 2297562741 ROWWIYGIQINJTG-UHFFFAOYSA-N 432.347 7.202 30 10 IKEE O=C1NC(=Nc2ccccc2Cl)SC1=Cc1ccc(OCc2ccccc2F)cc1 2313507537 SBJSYQIACMMBBL-UHFFFAOYSA-N 438.911 5.950 30 10 IKEE COc1cccc(C=C2Oc3cc(OCc4ccc(Cl)cc4Cl)ccc3C2=O)c1 2314438405 RMTZUAXAYUTXAB-UHFFFAOYSA-N 427.283 6.197 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C2CC2)c1 2320867969 WNIJFRZWNYTJGG-UHFFFAOYSA-N 447.391 6.036 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1cn(C)c4ccccc14)O3)CN(Cc1cccs1)CO2 2321968162 KHQONFCRLBKTSN-UHFFFAOYSA-N 442.540 5.517 30 10 IKEE COc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(Cc1ccc(F)cc1)C3 2322051974 SFNXYDJERXPKBK-UHFFFAOYSA-N 431.463 5.111 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O3)CN(CCCCN(C)C)CO2 2322122750 NLFNWIUDSFVTDX-UHFFFAOYSA-N 448.607 5.402 30 10 IKEE COc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN([C@@H]2CCCC[C@H]2C)C4)c(OC)c1 2322146145 GXVCSHURXFCNNR-IIBYNOLFSA-N 449.547 5.359 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)N[C@@H](C)c2ccccc2)c1 2322371982 SWJIZNDHWSTZDG-SFHVURJKSA-N 449.934 5.501 30 10 IKEE CCOc1c(C=CC(=O)c2ccc(Br)cc2)cc(Br)cc1OC 2322427778 RYEHXWCVNCESNA-UHFFFAOYSA-N 440.131 5.515 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2nccs2)c1 2322617479 SQIBMCKYTMMDQD-UHFFFAOYSA-N 426.925 5.327 30 10 IKEE C[C@@H](NC(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc(F)cc1)c1ccccc1 2322748356 DGRDJGUBICWHGO-QGZVFWFLSA-N 437.898 5.631 30 10 IKEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1OC 2322748524 QTKFWHYATASXCX-UHFFFAOYSA-N 442.467 5.404 30 10 IKEE Cc1c(OC(=O)C=Cc2ccc(F)cc2)ccc2c1OC(=Cc1ccc(N(C)C)cc1)C2=O 2323046691 MXYIGRYYWGNJKJ-UHFFFAOYSA-N 443.474 5.435 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3ccc(C)cc3)c2)cc1Cl 2323310222 DGLHPKSSIROJHG-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OCc3c(F)cccc3Cl)c(Cl)c2)ccc1F 2323969303 LIGBWTJHUSQILQ-UHFFFAOYSA-N 433.281 7.055 30 10 IKEE CCCCOC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2324304776 PYAFCGYETJVMEU-UHFFFAOYSA-N 435.303 5.640 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(O[C@H](C)C(=O)Nc4ccccc4Cl)c3C)C2=O)o1 2324397548 VHHOOIRTSDINLS-OAHLLOKOSA-N 437.879 5.572 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(OC)c(Cl)c3)cc2)o1 2324608305 LAJRUMDPSKGGRM-UHFFFAOYSA-N 440.879 5.593 30 10 IKEE COc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)c(OC)c1 2324611507 DHZVLHJGBUPLRL-NRFANRHFSA-N 446.572 6.014 30 10 IKEE Cc1c(OCc2nc(O)c3ccccc3n2)ccc2c1OC(=Cc1ccc(Cl)cc1)C2=O 2325205669 AXGNLFRFMNQGOY-UHFFFAOYSA-N 444.874 5.492 30 10 IKEE CCc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccc(C#N)cc4)ccc3C2=O)cc1 2325302789 DLWKDUKUZDOFNQ-QGZVFWFLSA-N 438.483 5.143 30 10 IKEE CCCOc1c(C=Nn2c(CCC)nnc2SCc2cccc(C)c2)cccc1OC 2325547203 RUPDRKYJZVZESJ-UHFFFAOYSA-N 438.597 5.511 30 10 IKEE CCCCCCOc1ccc(NC(=O)C(=O)C=Cc2ccc(OC)c(OCC)c2)cc1 2325631742 RTQPKEBTOIMTFW-UHFFFAOYSA-N 425.525 5.274 30 10 IKEE O=C(COc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O)NCc1ccccc1Cl 2325633076 JLPYRGKYVJLTDH-UHFFFAOYSA-N 445.902 5.208 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OC(=O)CCCOc1ccccc1 2325735347 KPSHVGZKVBMBAZ-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE Cc1cc(C)c(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccc(F)cc2)C3=O)c(C)c1 2325736749 SIEFUUFOZAGKBU-UHFFFAOYSA-N 445.490 5.693 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(-c3ccccc3)cc2)c1)c1ccc(F)c(F)c1 2325753492 SETQLZWGOBJEMS-UHFFFAOYSA-N 440.445 6.747 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1N=Cc1cc(Cl)c(O)c(OCC)c1 2326272402 IDPRQXCSAARTCR-UHFFFAOYSA-N 448.951 5.302 30 10 IKEE CCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(Br)cc1 2326546551 IJYIGSBSUFLGOL-UHFFFAOYSA-N 435.778 5.431 30 10 IKEE Clc1ccc(CSc2nncn2N=Cc2cccc(Br)c2)c(Cl)c1 2326697746 OYQIBPDKBVTZGF-UHFFFAOYSA-N 442.169 5.522 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccccc1F 2329478154 PAUCZBAPTRKMDI-UHFFFAOYSA-N 448.542 5.824 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3C)n2N=Cc2ccccn2)c1 2329488317 IWFAFJLPWHWTAX-UHFFFAOYSA-N 441.604 5.558 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)C=Cc2ccc(Br)cc2)c1 2329605728 POVVNDYJXQHGNW-UHFFFAOYSA-N 445.316 5.512 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2cccc(Cl)c2)cc1 2329941875 MAMFHEHEGXBOND-UHFFFAOYSA-N 447.007 6.314 30 10 IKEE COc1cccc(C=Nn2c(SCc3cccc(F)c3)nnc2[C@H](C)c2ccccc2)c1 2330077941 AONMKBLOTIGNOD-GOSISDBHSA-N 446.551 5.752 30 10 IKEE Cc1ccc(O)c(C=Nn2c(Cc3cccs3)nnc2SCCc2ccccc2)c1 2330398992 QPHFUFOUEFZURL-UHFFFAOYSA-N 434.590 5.161 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCCC)nnc2-c2cccs2)cc1OC 2330592452 HCSPNDGILBPPKP-UHFFFAOYSA-N 430.599 5.578 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)cc2)c(Cl)c1)c1ccc2ccccc2c1 2330658986 BGJDJHYLFYYRNI-UHFFFAOYSA-N 430.862 6.748 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(Br)c1OC(C)=O 2330670879 VRYCMNUEMRLPHX-UHFFFAOYSA-N 425.278 5.432 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc([C@@H]2CCCO2)n1N=Cc1ccccc1 2330977238 ZLKBOPOJUWUELR-SFHVURJKSA-N 433.364 5.611 30 10 IKEE C[C@H](C(=O)Oc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl)c1ccccc1 2331029238 QQLGVTDRNADUQO-INIZCTEOSA-N 435.863 5.853 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])cc1 2331273811 URJATASAOKKKIL-UHFFFAOYSA-N 431.444 5.417 30 10 IKEE CCCCCOc1ccc(C=Nn2c(CCOC)nnc2SCc2ccccc2)cc1 2331282169 LQOUREHTEYBPBX-UHFFFAOYSA-N 438.597 5.211 30 10 IKEE CCc1ccc(C=Nn2c(CCOC)nnc2SCc2c(Cl)cccc2Cl)cc1 2331294362 PFTYIKSGHOYADV-UHFFFAOYSA-N 449.407 5.511 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1cccc(OC)c1 2331370180 JSAGWWPTSQEMQE-UHFFFAOYSA-N 446.499 5.526 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2Cl)cc1C 2331494021 AJDCEWUEJVDRLK-UHFFFAOYSA-N 432.947 7.196 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)Cc1ccccc1 2331531387 SYCQTIVIAZMEJF-UHFFFAOYSA-N 438.882 5.922 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)cc2Cl)cc1 2331646788 JRBPBMHBRGHARG-UHFFFAOYSA-N 446.974 7.251 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2)cc1[N+](=O)[O-] 2331705260 XRQXQAXPXPILKI-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc(O)c(O)c1 2331709561 KNDVXTXHBJOKGS-UHFFFAOYSA-N 437.352 5.294 30 10 IKEE C=CCc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)c1ccccn1 2331780170 RRPGRBPYBOHULL-UHFFFAOYSA-N 441.527 5.859 30 10 IKEE COc1ccc(C=NNc2oc(-c3cccs3)nc2C#N)cc1OCc1ccc(C)cc1 2331938181 MITLNFFMGLJILA-UHFFFAOYSA-N 444.516 5.617 30 10 IKEE C[C@H](Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCN(Cc2ccccc2)C1 2339537649 WOEQDXBCBNCCNX-HRKNJWBZSA-N 433.405 5.049 30 10 IKEE C=CCc1ccc(OCCOc2ccc(/C=C3/SC(=S)N=C3O)cc2)c(OC)c1 2977403 WNLSRGLEJVLVJL-XSFVSMFZSA-N 427.547 5.211 30 10 IKEE CC(C)(C)c1cc(/C=N/[C@H](c2ccccc2)[C@H](O)c2ccccc2)c(O)c(C(C)(C)C)c1 6995581 IXZSHYIACBWIFQ-QAAAZZFASA-N 429.604 6.881 30 10 IKEE C=CCN1C(=O)/C(=C/c2c(Cl)cccc2Cl)S/C1=N\c1ccc(O)cc1C(=O)O 16927030 DNAYTPNSAWSYDP-PLISCHTNSA-N 449.315 5.187 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(OCCCC)c(OC)c2)S/C1=N\c1cccc(O)c1 16934672 FWYYQEXNLZYQAS-YWROOUKNSA-N 438.549 5.370 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)CCSc2n[nH]c(N/N=C/c3ccccc3F)n2)cc1 20833294 DOORRTCENOJOPH-BGHCKBSUSA-N 440.548 5.024 30 10 IKEE CCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1cccc(OC)c1)C2 21226594 ITDHVNKHLITODG-HMILPKGGSA-N 440.543 6.073 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccn2)cc1 21228165 ZFRFXBDXOHSVIR-PPHZAIPVSA-N 425.532 5.850 30 10 IKEE COc1ccc(/C=C2/S/C(=N/c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1OC 33348301 WOWVYLDBBKOZML-PHSRYYMBSA-N 444.556 6.129 30 10 IKEE COc1ccc(OC)c(/C=C2/Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc3C2=O)c1 34871697 VGOSIADERZWOQI-WSDLNYQXSA-N 436.847 5.193 30 10 IKEE COc1ccc(C(=O)/C=C\c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)c(OC)c2)cc1 34955196 ZHSUUVIZFSTNGT-SOFYXZRVSA-N 444.527 6.117 30 10 IKEE O=C(/C=C\c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)cc1 34955613 HYKZSQBNLOEBCP-MNDPQUGUSA-N 449.462 6.377 30 10 IKEE CCOc1ccc2oc(C)c(C(=O)Oc3ccc4c(c3)O/C(=C/c3cccnc3)C4=O)c2c1 35550487 PSXSHATXFKPAEH-FOKLQQMPSA-N 441.439 5.370 30 10 IKEE C=CCN1C(=O)c2[nH]nc(-c3c(C)cc(C)cc3O)c2[C@H]1c1ccc(OCCCCC)cc1 38705350 WUPHYRLABPLMEH-AREMUKBSSA-N 445.563 5.699 30 10 IKEE O=C(/C=C/c1ccc(-c2cccc(Cl)c2)o1)c1ccc(NC(=O)c2cccs2)cc1 39850896 OJAKSLPKBZXBBM-ZRDIBKRKSA-N 433.916 6.810 30 10 IKEE CC[C@@H](C(=O)Nc1cc(Cl)c([C@@H](C#N)c2ccc(Cl)cc2)cc1C)c1ccccc1 59240273 LXUDUNCCXHLHQI-IRLDBZIGSA-N 437.370 7.090 30 10 IKEE CCCCCCCOc1c(Cl)cc(C(=O)Nc2nnc(CCC)s2)cc1Cl 101139674 WOSKEVDUUHWCOT-UHFFFAOYSA-N 430.401 6.399 30 10 IKEE CCCCCCCCCCCCn1c([C@H](C)NC(=O)c2ccccn2)nc2ccccc21 102111139 RQBIDCJWBCWYOY-QFIPXVFZSA-N 434.628 6.843 30 10 IKEE CCCCCCCCCCn1c(CCCNC(=O)c2cccc(OC)c2)nc2ccccc21 102152403 VSTLPSLWQQACJC-UHFFFAOYSA-N 449.639 6.548 30 10 IKEE CCCCCCCCCCCCCCC(=O)Nc1ccc(-c2nc3cc(C)ccc3[nH]2)cc1 105259127 NPEVCPOMZOLNCU-UHFFFAOYSA-N 447.667 8.568 30 10 IKEE CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 118937099 ICFXJOAKQGDRCT-MLEUPRBASA-N 428.701 7.204 30 10 IKEE endogenous,in-man CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(OC)cc2)c1 169921566 FVZNWXGVBWOLRR-HSZRJFAPSA-N 447.462 5.016 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccccn2)cc1 169991961 NAQUATQSLGYFPN-AREMUKBSSA-N 448.522 6.141 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccncc2)cc1Cl 170021638 SQIPKODTDPGFQO-FQEVSTJZSA-N 439.298 5.480 30 10 IKEE CCCCCCCCN1C(=O)C(SCc2ccccc2)=C(c2ccc(Cl)cc2)C1=O 170069847 YMYYBCVOBGARPC-UHFFFAOYSA-N 442.024 6.714 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2sccc2C)cc1C 170106063 ODIPYVGULQTFQS-JOCHJYFZSA-N 442.540 5.938 30 10 IKEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(C(C)(C)C)cc1 170149622 OVTCKVKTVLPKTH-DEOSSOPVSA-N 443.543 5.362 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2cccs2)c1 170155447 LHKBDFOVESRGAF-LJQANCHMSA-N 443.883 5.332 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccs2)cc1 170162509 VMQZWUKLLXHIMQ-NRFANRHFSA-N 437.517 5.154 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccs2)ccc1OC(C)C 170166701 VRTBYZAHIBZVIX-OAQYLSRUSA-N 425.550 5.365 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@H]1c1ccc(OCC)cc1 170214486 SXKOTUZQWFYNGD-XMMPIXPASA-N 449.547 5.179 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccc2)cc1C(C)C 170224026 XBOJERCCAOFSJB-VWLOTQADSA-N 441.527 5.910 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccccc2)c(C)c1 170228124 NNNGDYBFBPQSDK-AREMUKBSSA-N 433.507 6.240 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCCC)c2)[C@H]1c1ccc(Cl)cc1 170236617 FZTKVONAPQFENQ-JOCHJYFZSA-N 441.955 5.897 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@H]1c1ccc(C(C)C)cc1 170245598 WDGCFUSBOKZGGB-OAQYLSRUSA-N 427.928 5.460 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2F)ccc1Cl 170253471 HPWNTXSFPANVBO-OAQYLSRUSA-N 443.902 5.399 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccc(CC)cc1 170268410 VLJGEKHBPPXLHB-QHCPKHFHSA-N 447.531 5.772 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccc2C)cc1C 170270996 OUVGEXZRJVVEEB-XMMPIXPASA-N 445.490 5.542 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2C)cc1C(C)C 170274074 UOPKNCWUWKIVNE-DEOSSOPVSA-N 445.515 5.499 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccco2)ccc1Cl 170286484 LBDYBAAITBTDCV-IBGZPJMESA-N 444.270 5.378 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@H]1c1cccc(OCCC)c1 170323460 IOCKMTUHGWJXTH-JOCHJYFZSA-N 441.499 5.002 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cccc(OC(C)C)c2)c1 170347799 HGPYTSMDEOOWNZ-HSZRJFAPSA-N 447.556 5.935 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(CC)cc2)c1 170389792 BATKEDPQLHXKLA-HSZRJFAPSA-N 447.556 5.882 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]1c1cccs1)c1ccco1 170416067 BWXNODSYZPHVAX-KRWDZBQOSA-N 433.407 5.138 30 10 IKEE CCCCCCCCOc1ccc(/C=N/N=C(C(=O)c2ccccc2)c2ccccc2)cc1 245263937 BQHOXFYKSAMEHS-WGDOSSHOSA-N 440.587 7.132 30 10 IKEE CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)C1=NNc1ccccc1C(F)(F)F 252607305 GZXDMEWKKPAVHN-UHFFFAOYSA-N 429.427 5.020 30 10 IKEE COc1ccc(OC)c(C=Nc2sc3c(c2C(=O)Nc2ccc(C)cc2C)CCCC3)c1 254296139 ZEHBNMXXDGSGBR-UHFFFAOYSA-N 448.588 6.264 30 10 IKEE COc1cc(Br)cc(C=Nc2ccc3nc(-c4cccc(C)c4)oc3c2)c1O 254433007 XSEMWQGHMGJWOD-UHFFFAOYSA-N 437.293 6.031 30 10 IKEE CCCOc1ccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526488126 FLFJMBJPZWHATB-XMMPIXPASA-N 428.463 5.543 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccc(O)c2)cc1 526604530 NYJWUQDKFJAPPO-XMMPIXPASA-N 426.472 5.110 30 10 IKEE COc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 526802158 APUXWDKNIAEJRV-QQXSKIMKSA-N 432.524 5.191 30 10 IKEE CCOc1c(Cl)cc(/C=N\n2c(C)nnc2SCc2ccc(C)cc2)cc1Cl 526804254 KKALFTCOGNNBIV-KSEXSDGBSA-N 435.380 5.775 30 10 IKEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1ccc(C(C)C)cc1 526829530 NRMVKBUFAABBQI-IWIPYMOSSA-N 437.569 5.827 30 10 IKEE Cc1cc(C)cc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(OC(C)C)cc2)c1 586259011 HOIPAZACKVBBFP-UHFFFAOYSA-N 434.561 5.358 30 10 IKEE CC(C)[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 698378237 PNXFBWOVKKLWDL-WOJBJXKFSA-N 431.577 5.113 30 10 IKEE CCCCCCCCCC[C@H](O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 705511053 LEDMFYFFSIYIIZ-YFNKSVMNSA-N 435.649 6.377 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)c2ccc(Br)cc2F)c1 710801096 PEPQIZGFPFMNNL-OAQYLSRUSA-N 433.321 6.077 30 10 IKEE Cc1nc([C@@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)sc1Br 719326276 HBQYFUIOQIHDDK-GFCCVEGCSA-N 428.377 5.278 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CC[C@H]2CCCC[C@@H]2C1 723605971 AFYYBQTZGLLYHD-DRSNIGMVSA-N 433.390 6.443 30 10 IKEE Brc1ccc(C#Cc2ccccc2)cc1-c1cccc(C#Cc2ccccc2)c1 725406013 UEIPSJWYHIWKKW-UHFFFAOYSA-N 433.348 6.916 30 10 IKEE CCCCCCOc1ccc(NC(=O)[C@H]2CC(=O)N(C)C(=Nc3ccccc3)S2)cc1 1084322845 PFQBCXJTENJASF-OAQYLSRUSA-N 439.581 5.236 30 10 IKEE C=CCn1c(SCCCn2c(O)nc3ccccc32)nnc1-c1cccc(Cl)c1 1651889569 QRXGFCGPLMUMQZ-UHFFFAOYSA-N 425.945 5.022 30 10 IKEE C=CC[C@H](Cc1ccccc1)NC(=O)N(CCC)Cc1nc(O)c2ccc(Cl)cc2n1 1681942906 ULPDZUQXZXRVIA-LJQANCHMSA-N 438.959 5.098 30 10 IKEE O=C1/C(=C/c2cccc(Cl)c2)SC(=Nc2ccncc2Cl)N1c1ccccc1 1772735174 GUVYFYPSLBPKNH-OSZNWEDFSA-N 426.328 6.197 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=Nc1nccs1 1772737351 OQTLQGJDOQWLKX-AZCZGVSUSA-N 446.897 5.199 30 10 IKEE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1C(=NNc1ccc(F)cc1)CCC2 1772748892 HGRQQFBTSUHWNW-HNNXBMFYSA-N 449.501 6.000 30 10 IKEE Fc1ccc(NC(=S)N/N=C\c2cn(-c3ccc(Cl)cc3)nc2-c2ccccc2)cc1 1857811211 PDOVAOKDTPSQSB-WGARJPEWSA-N 449.942 5.652 30 10 IKEE CCCCCCCCCOc1cccnc1NC(=O)Cc1ccc(Br)cc1 1858750182 OXKQQICKGIUXQP-UHFFFAOYSA-N 433.390 6.155 30 10 IKEE O=C(ON=C1CCN(Cc2ccccc2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1860468793 QYDMFWRBUHKHJA-UHFFFAOYSA-N 444.375 5.533 30 10 IKEE CCCCCCCCNC(=O)[C@](C)(CC)NC(=O)Cc1cc(Cl)ccc1SC 1860975609 FLJXMFMOHGRDKA-QFIPXVFZSA-N 427.054 5.366 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)CCCOc1c(C)cccc1C 1861677311 CDFKPKLHQKBNJH-XMMPIXPASA-N 446.676 6.004 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2ccccc2Cl)cc1 1862391543 CICVSAPIUZAKHE-ZHRRBRCNSA-N 425.956 6.059 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2cc(C)ccc2C)cc1 1862412918 QJNLXQJOULOBPF-DEOSSOPVSA-N 447.481 5.669 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc([N+](=O)[O-])cc1 1862418992 NKZRTVPCIYDINR-HXUWFJFHSA-N 444.434 5.032 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCc2ccc(C)cc2)cc1 1862474777 UVWABIUQLNCALG-SANMLTNESA-N 439.555 5.687 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@H](C)CC)cc1OCC 1862484501 OCZGADJYXVTZIL-HXOBKFHXSA-N 437.536 5.169 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(O)cc1 1862490510 XIIRPDUQWURYET-RDPSFJRHSA-N 435.564 5.946 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccc(O)cc2)ccc1F 1862508134 XNBZIXWDMOUAKF-QMHKHESXSA-N 431.463 5.179 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cccc(OCCC)c1 1862511173 MJGBPQGJLTZBFW-QHCPKHFHSA-N 439.527 5.691 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccc(Cl)cc2)cc1 1862536468 YQIDNDTXXPIDTR-JOCHJYFZSA-N 441.955 5.296 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(OC)cc1 1862548789 ZXLNWKGUSNALFL-VWLOTQADSA-N 447.575 5.733 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 1862681774 BCAFHFCMHGPRMP-LJQANCHMSA-N 436.310 5.901 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccc(F)c1 1862723474 AOKDENVPHGINPD-RUZDIDTESA-N 443.518 6.117 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccc(F)c1 1862724307 LHYREXRBOJPNJS-MZNJEOGPSA-N 429.491 5.870 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccc(OCC)c1 1862727027 VBLNCPQZLWDBNP-VWLOTQADSA-N 441.527 5.741 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C(=O)N1[C@@H]1CCCC[C@H]1C 1862746418 GALJPKZITWZJST-BSLALVQMSA-N 434.492 5.060 30 10 IKEE CCCOc1ccccc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(C)cc2)C1=O 1862892671 ZYESXCRHXUFLLD-UHFFFAOYSA-N 437.499 5.052 30 10 IKEE N#Cc1ccc(N2C(=O)C(Nc3ccccc3)=C(c3cc(Cl)ccc3Cl)C2=O)cc1 1863016019 RLFNHDPACUMFBS-UHFFFAOYSA-N 434.282 5.262 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3cccc4c3CCCC4)C(=O)N(c3ccccc3C#N)C2=O)c1 1863036888 KQKLCZFHWOIOQA-UHFFFAOYSA-N 447.538 5.451 30 10 IKEE C=CCN1C(=O)C(Nc2cccc(OCCC)c2)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863279753 KMAUGWLECYFQRH-UHFFFAOYSA-N 431.319 5.160 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1nnc([C@@H]2CCCO2)s1 1866032343 JUHGMWONFVZUGE-NRFANRHFSA-N 437.694 7.590 30 10 IKEE COc1ccc(OC2CCN(c3cc(Nc4cccc(C#N)c4)nc(C(C)C)n3)CC2)cc1 1868221464 NATVVVMNPUBBLI-UHFFFAOYSA-N 443.551 5.272 30 10 IKEE C[C@H]1CN(c2cc(Nc3cccc(C#N)c3)nc(C(C)(C)C)n2)C[C@@H](c2ccc(F)cc2)O1 1868333800 UQZUNSMIYHERBH-JTSKRJEESA-N 445.542 5.495 30 10 IKEE Cc1cc(C)c(Cn2nnc(C#N)c2NC(=O)/C(=C\c2ccccc2)c2ccccc2)c(C)c1 1870106465 NKNVHDWCRLPFTA-JLPGSUDCSA-N 447.542 5.303 30 10 IKEE CCCCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CSc1ncccn1 1870235648 NGBFIXBCIQINOH-UHFFFAOYSA-N 445.673 6.496 30 10 IKEE C=CCn1cc(OCc2c(C)cc(C)cc2C)c(=O)cc1CNc1ccc(C)c(Cl)c1 1870803009 VFGHUKHPJGEETC-UHFFFAOYSA-N 436.983 6.112 30 10 IKEE Cc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCC(C)C)cc1F 1871252412 ZRUHLPGYUMZULM-UHFFFAOYSA-N 433.527 5.405 30 10 IKEE CCCCCCCCCCN=c1nc2c(cnn2C)c(Nc2ccccc2OCCC)[nH]1 1871298880 MTOIGOUFBKXNTC-UHFFFAOYSA-N 438.620 5.870 30 10 IKEE CCCCOCCCN1COc2c(cc3c(c2C)O/C(=C\c2cccc(F)c2)C3=O)C1 1871356029 RJGDEANHQHTPCS-XKZIYDEJSA-N 425.500 5.109 30 10 IKEE O=C(COc1ccccc1)Oc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O 1871364563 RORKWLFMUOUUBQ-MTJSOVHGSA-N 441.266 5.594 30 10 IKEE Cc1ccc(CCC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871366728 OWILQFWIRDACIV-UCQKPKSFSA-N 432.903 6.111 30 10 IKEE CCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2cccs2)C3=O)cc1OC 1871383743 NXVIJLLCGPSBBH-NMHLAVMBSA-N 448.496 5.390 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3oc(=O)c(-c4ccc(Cl)cc4)c(C)c3c2)cc1 1871389991 YJKKYXMUUUIRNZ-UHFFFAOYSA-N 446.886 6.206 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(O)c3CN(Cc3ccccc3)C(C)C)C2=O)cc1 1871393709 GAJQPHYETUUYTE-MYYYXRDXSA-N 429.516 5.428 30 10 IKEE CCCN(CCC)Cc1c(O)cc(C)c2c1O/C(=C\c1ccccc1Br)C2=O 1871394084 BYKIDPFTVBORQL-MOSHPQCFSA-N 444.369 5.701 30 10 IKEE Cc1c(O[C@H](C)C(=O)OC(C)C)ccc2c1O/C(=C\c1ccc(Cl)cc1Cl)C2=O 1871401115 UMMACWQLNJXKKH-JFPGXGMNSA-N 435.303 5.637 30 10 IKEE Cc1cccc(OCCOc2ccc3c(c2)O/C(=C\c2ccc(Cl)c(Cl)c2)C3=O)c1 1871408414 VWWDBMPMXKKQPE-QRVIBDJDSA-N 441.310 6.376 30 10 IKEE COc1ccc(Cl)cc1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1C)C2=O 1871452809 QKLOTSDKBXZUTM-KSEXSDGBSA-N 449.890 5.291 30 10 IKEE C=CCN(CC=C)c1nc(=NCc2ccc(Cl)cc2)[nH]c(=Nc2ccccc2C(C)C)[nH]1 1871498119 FNQDBOIJWGPDQP-UHFFFAOYSA-N 449.002 5.026 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(C)c(C)c2)[nH]c(N(CC)CCCC)n1 1871526383 RFSDDSHMTDMYAH-UHFFFAOYSA-N 426.653 6.053 30 10 IKEE N#C[C@@H](C(=O)c1cc2ccccc2oc1=O)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872762056 BXRZWOLKPOKFHL-HNNXBMFYSA-N 441.295 5.713 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)cc1OC 1872765224 KENHSPBOCZUADF-MBNRZODZSA-N 448.544 5.424 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(OCC(C)C)c3)n2)cc1 1872765261 LBCILABSYCAFAB-HSZRJFAPSA-N 432.589 6.678 30 10 IKEE N#C[C@H](C(=O)Cc1ccccc1[N+](=O)[O-])c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872769280 OEMTTYUKAAYNEA-CYBMUJFWSA-N 432.288 5.444 30 10 IKEE C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)[C@H](C#N)c1nc(C(C)(C)C)cs1 1872769874 ZPBMYFZBJVHJAG-PWSUYJOCSA-N 441.778 5.500 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)/C=C/c2ccc(F)cc2)n1 1872777065 FRHZSUCKKRYYBA-OEMHODTASA-N 434.536 6.145 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)c2ccc(F)c(F)c2F)n1 1872784950 AYMCFSQYMXDLSD-INIZCTEOSA-N 428.479 6.323 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@@H](C#N)C(=O)c2ccc(C(C)(C)C)cc2)n1 1872786691 PVDHBEQAYRBPMK-SFHVURJKSA-N 438.980 6.568 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccccc2)=C(c2cccc(OC)c2)C1=O 1873042667 JBOMDPPOYUKPKQ-UHFFFAOYSA-N 448.607 5.706 30 10 IKEE O=c1c(Cl)c(N/N=C/c2c(Cl)cccc2Cl)cnn1-c1ccc(Cl)cc1 1873526736 TWWZRZXLSQQDNJ-GZIVZEMBSA-N 428.106 5.292 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)cc2C)cc2c(NCc3ccc(OC)cc3)ncnc21 1873636808 YFKLFYHWFRWZIV-UHFFFAOYSA-N 441.535 5.107 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C)c2C)cc2c(NCc3ccc(Cl)cc3)ncnc21 1873638057 VHPKFECXIAROGG-UHFFFAOYSA-N 445.954 5.752 30 10 IKEE C=C(C)CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1cccc2ccccc12 1874297337 WJMRGMDFEJPBPX-MFKUBSTISA-N 443.532 5.481 30 10 IKEE Cc1ccc(CSc2nnc(COc3c(C)cccc3C)n2/N=C/c2ccco2)cc1 1874297630 MHQPGXRQCSKNEL-AFUMVMLFSA-N 432.549 5.550 30 10 IKEE CCCCOc1ccc(/C=N/n2c(Cc3ccc(Cl)cc3)nnc2SC)cc1OC 1874339013 FVZFRHWUGGEQLG-BUVRLJJBSA-N 444.988 5.314 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(CCc2cccs2)n1/N=C/c1ccc[nH]1 1874372873 VXYSYNHJJRNMFF-WYMPLXKRSA-N 445.976 5.420 30 10 IKEE Cc1ccccc1CSc1nnc(CC2CCCCC2)n1/N=C/c1ccc(O)cc1O 1874406329 MRICPNYJEJFSOX-MFKUBSTISA-N 436.581 5.295 30 10 IKEE Fc1cccc(CSc2nnc(C3CC3)n2/N=C/c2ccc(Br)cc2)c1 1874518908 QINGBKSDGJUEOM-SSDVNMTOSA-N 431.334 5.232 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2ccc(Cl)cc2Cl)cc1 1874575990 RDVRCQZTWSOCTM-UKTHLTGXSA-N 443.326 6.486 30 10 IKEE Cc1ccccc1COc1ccc(Br)cc1/C=C/C(=O)c1cccc(Cl)c1 1874577247 FELSQHBBODCGDW-PKNBQFBNSA-N 441.752 6.886 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)ccc1OCc1ccccc1Cl 1874606762 FRQQIGBHTRPFJT-FMIVXFBMSA-N 436.935 6.531 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Br)c(OCCCO)c(OC)c2)cc1 1874607136 DMZUBRRXDJNKRG-FMIVXFBMSA-N 447.369 5.458 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(CC)cc3)cc2)cc1 1874614004 YQOBMJSURIGPIV-GIJQJNRQSA-N 429.516 5.561 30 10 IKEE Cc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)c2)c(C)c1 1874693525 JMVVFTPKJNDNNT-SDNWHVSQSA-N 440.539 6.063 30 10 IKEE O=C(COc1cc(F)ccc1F)Oc1cccc(/C=C/C(=O)c2ccc(F)cc2F)c1 1874700006 WXYRIAXHEWYLQQ-RUDMXATFSA-N 430.353 5.124 30 10 IKEE COc1ccccc1OCC(=O)Oc1cccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)c1 1874712167 QKRMUVPDMZXLPN-WYMLVPIESA-N 446.499 5.201 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(OC)c1OC(=O)[C@H]1CCCO1 1875095967 QGBFHBYKEBBZBZ-IGQYLQMFSA-N 442.511 5.557 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1Cl 1875096642 XWBJJSBGWHJKPB-XNTDXEJSSA-N 440.926 6.928 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc4ccccc4n3C)cc2)cc1OC 1875098715 IYCIWXMEIVAFBN-GXDHUFHOSA-N 441.483 5.311 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cc(Cl)ccc3Cl)cc2)cc1 1875103638 IMTLIASHNKCILP-VGOFMYFVSA-N 439.338 6.600 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(OC)c1OC(=O)Cc1cccs1 1875104354 SKQABJPOESTCST-VAWYXSNFSA-N 448.540 5.538 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OC(=O)c1cc(C)cc(C)c1 1875110483 NJACTWYUXIVPEJ-PKNBQFBNSA-N 434.919 6.471 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@H]2C[C@H]2c2ccccc2Cl)cc1)c1ccc([N+](=O)[O-])cc1 1875116616 KCGVDUNVMJZUHN-YXOZBRPMSA-N 447.874 5.853 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 1875120563 YNMIBVPCVLQSPP-XYOKQWHBSA-N 447.443 5.036 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC(=O)[C@H](C)c1ccccc1 1875125712 WKHGEFFFMXZQLS-IKFRKZOMSA-N 434.919 6.344 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)c1cccs1 1875133736 AAVFJSVGFOUURZ-ZRDIBKRKSA-N 432.541 6.217 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1cccc(Cl)c1 1875136292 ICWPNLJEFQNYFM-SDNWHVSQSA-N 446.930 6.501 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(N(C)C)cc1 1875137178 ZVVJLUQEKLUVMA-LZYBPNLTSA-N 429.516 5.575 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3[N+](=O)[O-])c(Cl)c2)c1 1875139789 ZZSKPCIGNZQDDU-PKNBQFBNSA-N 449.890 5.909 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1ccc(F)c(F)c1F 1875142440 CPEDQWIWESTGBH-YCRREMRBSA-N 444.380 5.675 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OC(=O)c1sccc1C 1875156391 YEBZERNBNHDHFM-ZRDIBKRKSA-N 428.509 6.334 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1Cl 1875184008 DDQORKLUZBTSPA-NTCAYCPXSA-N 441.011 7.718 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(F)c3)cc2)cc1Cl 1875185849 RMFZIDYSLLOVJH-JXMROGBWSA-N 445.273 6.256 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COCc3ccccc3)cc2)cc1Cl 1875187491 SWWXXGWJFHISEM-UKTHLTGXSA-N 436.891 5.367 30 10 IKEE CC1CCC(C#N)([C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CC1 1875689884 NAFPBLBNXXKLTG-UVQWTNAYSA-N 441.571 6.598 30 10 IKEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)CCc2c3ccccc3cc3ccccc23)CC1 1891681096 BSNAEMMROSQOSE-UHFFFAOYSA-N 448.570 5.320 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CC[C@H]1CCCCN1C(=O)OC(C)(C)C)NCCC 1922060842 SVSONBVPGWOLAT-DNQXCXABSA-N 430.633 5.697 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)C[C@H]1C 1922121821 ZUNOTXYPWCIKJZ-LPHRJVMESA-N 430.633 5.409 30 10 IKEE CCSc1cccc(N(CCCNC(=O)OC(C)(C)C)Cc2ccccc2)c1C#N 1982307947 HKDPFVFZGLTWLE-UHFFFAOYSA-N 425.598 5.592 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1C[C@@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 2001938290 JVGYJDPGKIERTO-DVECYGJZSA-N 435.609 5.628 30 10 IKEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N(OCc2ccccc2)C2CN(C(=O)OC(C)(C)C)C2)C1 2006996510 VQUMLUVVCNQTJC-LSWJPFSZSA-N 427.589 5.148 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]1(C)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2022145006 OSUZEKYBQBJZLP-ATIYNZHBSA-N 430.633 5.553 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@H](C#N)c1cc(Cl)cc(Br)c1 2027902013 STHQCNMVHFDYSD-INIZCTEOSA-N 441.778 6.166 30 10 IKEE C=CCC[C@H](C)[C@H](NCCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2041894990 XNJLOAPUJRJEIL-DPPGTGKWSA-N 444.660 5.801 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Br)c1Cl)NC 2047974578 XCRKCDQKAWBAJL-HZPDHXFCSA-N 431.802 5.093 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@H]3CC[C@H]32)cc1 2057586138 PBRXVVQRLMWZQZ-RNHFSVANSA-N 441.572 5.418 30 10 IKEE CCCc1ccc([C@@H](C2CCC2)n2nc(CC)c(C#N)c2I)cc1 2080007626 VTSZZYHAYUKCGM-LJQANCHMSA-N 433.337 5.264 30 10 IKEE COc1ccc([C@@H](n2nc(C3CCC3)c(C=NO)c2Br)C2(C)CC2)c(F)c1 2080059997 DWKLHNCDNYQFKI-GOSISDBHSA-N 436.325 5.258 30 10 IKEE CCOc1ccc([C@H](CC)n2nc(C3CCC3)c(C#N)c2I)cc1 2080102273 REYDIZVIUBTXQA-KRWDZBQOSA-N 435.309 5.025 30 10 IKEE N#Cc1ccc(N(C(=O)C2CCCCC2)[C@H](C(=O)NC2CCCCC2)c2ccccn2)cc1 2087920433 MHOYNSUEKGMYAR-VWLOTQADSA-N 444.579 5.057 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@@H](C#N)c1c(F)cc(Br)cc1F 2170707389 XASHZOBTBIJJGK-INIZCTEOSA-N 441.247 5.873 30 10 IKEE CC(C)N(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1C#N 2174813483 WWNYTGRBGADRCU-MRXNPFEDSA-N 436.394 5.183 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)Nc2cccc(F)c2C#N)c1 2181053829 PRBNRTZUMAGNHP-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE CCCN[C@H](C#Cc1cccc(OC)c1)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 2221911957 FTZJFPADWDRONW-XMMPIXPASA-N 436.596 5.242 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc(CC[C@@H](N)C#Cc2ccccc2Br)c1 2235735098 YSBCCQZNRALNLK-GOSISDBHSA-N 429.358 5.108 30 10 IKEE C=CC1(C[C@H](NC)[C@@H](Cc2cccc(Br)c2)NC(=O)OC(C)(C)C)CCC1 2237405371 QQYTVKQEOHDKFA-MOPGFXCFSA-N 437.422 5.219 30 10 IKEE CCc1ccc(C#C[C@H](N)c2ccc(NC(=O)OC(C)(C)C)c(Br)c2)cc1 2239722220 OIZTVJZVQIYJSZ-IBGZPJMESA-N 429.358 5.410 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1cc(F)c(NC(=O)OC(C)(C)C)cc1F 2248188138 FVZVXPKYGVTXRA-QFIPXVFZSA-N 432.511 5.735 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)C[C@H]2CC[C@H]1C2 2248360540 MSBZIWUJABMXFD-OHTANWTRSA-N 428.617 5.211 30 10 IKEE C=C1CC(COc2ncc(Br)c3ccsc23)(NC(=O)OC(C)(C)C)C1 2254182259 GCXJQNYMJPASHO-UHFFFAOYSA-N 425.348 5.051 30 10 IKEE CC1(C)OB(c2cc(C(=O)N(Cc3ccccc3)CC3CCCCC3)cs2)OC1(C)C 2255704613 KDLBPTRXLHUIQB-UHFFFAOYSA-N 439.430 5.270 30 10 IKEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)CCN(Cc2ccccc2)C(C)(C)C1 2261819505 JPWXQFTVFLAAOR-HHHXNRCGSA-N 437.580 5.064 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](Nc2ccc(Br)c(C#N)c2)C[C@H]2CCCC[C@H]21 2279540677 ZHIOZXPADSYRNR-LSBZLQRGSA-N 434.378 5.301 30 10 IKEE N[C@H](C#Cc1ccccc1Br)c1c(Cl)cc(Br)cc1Cl 2283312679 WEBHIBXDTGLEMC-CQSZACIVSA-N 433.958 5.570 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@@H](C)CCCNC(=O)OC(C)(C)C 2296265899 CITPHPAHLKLDGV-PXNSSMCTSA-N 437.422 5.110 30 10 IKEE COc1ccc(C=Cc2nc(C#N)c(N3CCC(Cc4ccccc4)CC3)o2)cc1OC 2296787675 YYASXHGWZBRWBC-UHFFFAOYSA-N 429.520 5.193 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@]12CCC[C@H](CN(C(=O)OC(C)(C)C)C1)C2 2311434116 AOWIBFWTLOKGMT-XFAFFCHDSA-N 442.644 5.555 30 10 IKEE O=C(C=Cc1ccccc1)Oc1ccc2c(c1)OC(=Cc1cccc(Cl)c1Cl)C2=O 2314437050 BFFHSVGDRSDFNX-UHFFFAOYSA-N 437.278 6.228 30 10 IKEE COc1ccc(COc2ccc3c(c2)OC(=Cc2ccccc2Br)C3=O)cc1 2314437204 GEDTTWDNJQCZRS-UHFFFAOYSA-N 437.289 5.653 30 10 IKEE COc1ccc(COc2ccc3c(c2)OC(=Cc2cccc(Br)c2)C3=O)cc1 2314437450 MTSHMTFRFVVBOW-UHFFFAOYSA-N 437.289 5.653 30 10 IKEE O=C1NC(=Nc2ccc(O)cc2)C(=Cc2ccc(-c3c(Cl)cccc3Cl)o2)S1 2314482513 MTUFYLIIXKOCRJ-UHFFFAOYSA-N 431.300 6.487 30 10 IKEE FC(F)(F)c1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CC2)cc1 2320886942 AUYCESSPJIPEIV-UHFFFAOYSA-N 436.890 6.002 30 10 IKEE CC(C)(C)Oc1ccc(CN2COc3ccc4c(c3C2)OC(=Cc2cccs2)C4=O)cc1 2321908180 GQEKZUOIPLAOSP-UHFFFAOYSA-N 447.556 5.894 30 10 IKEE Cc1cccc(C=C2Oc3c(cc4c(c3C)OCN(CCc3ccc(F)cc3)C4)C2=O)c1 2322286869 YMFDXGHNKPUZFX-UHFFFAOYSA-N 429.491 5.453 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3ccco3)C4)C2=O)cc1 2322308016 ZSWQHTNDEFQPML-UHFFFAOYSA-N 444.531 5.403 30 10 IKEE CCCCCCN1COc2c(cc3c(c2C)OC(=Cc2c(F)cccc2Cl)C3=O)C1 2322368886 VCYSYDLEQRVQLH-UHFFFAOYSA-N 429.919 6.136 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1 2322391288 MTOYMZRFBGKJAK-UHFFFAOYSA-N 439.382 7.811 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccccc1OCc1c(F)cccc1Cl 2322926710 KRZURABCCLPKHK-UHFFFAOYSA-N 445.317 6.925 30 10 IKEE O=C(COc1cccc(C=CC(=O)c2ccc(Cl)cc2Cl)c1)NCc1ccccc1 2323075867 DYZCUKZUXPMEFL-UHFFFAOYSA-N 440.326 5.585 30 10 IKEE Cc1ccc(CCC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc4c(c2)OCO4)C3=O)cc1 2323087190 QISMUABBOCCDHK-UHFFFAOYSA-N 442.467 5.187 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1OCc1cccc(Cl)c1 2323186800 HDETZKJSAUCUCJ-UHFFFAOYSA-N 434.963 7.121 30 10 IKEE CCN(CC)C(=O)COc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)ccc1OC 2323327496 QQNPHYCKAJXKPU-UHFFFAOYSA-N 436.335 5.145 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(CC)cc2)C3=O)CC1 2323651848 LODWKHOVWISIGT-UHFFFAOYSA-N 432.560 6.767 30 10 IKEE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2323812795 KQYCJLDXLFLARK-UHFFFAOYSA-N 434.875 5.963 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc(Br)c1OCc1ccccc1 2323814084 MEJLOUZDNPVDPX-UHFFFAOYSA-N 437.333 6.323 30 10 IKEE COc1cccc(C=NNc2nc(-c3cccs3)c(C)s2)c1OCc1cccc(C)c1 2323839974 VMZDGMKHROWLGR-UHFFFAOYSA-N 449.601 6.522 30 10 IKEE Cc1cc(OCCOc2ccccc2)cc2c1C(=O)C(=Cc1ccc(-c3ccccc3)cc1)O2 2324220915 KHZXPVWDBHQIGK-UHFFFAOYSA-N 448.518 6.736 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2324451413 IXHUFNNMGCIBEE-OAHLLOKOSA-N 449.890 5.371 30 10 IKEE N#C[C@H](C(=O)C=Cc1ccc(F)cc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2324697276 SHIWMBRUYALDBS-HSZRJFAPSA-N 440.499 6.631 30 10 IKEE CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2F)C3=O)cc1 2325424423 WZAJSGZGDPRZDC-MRXNPFEDSA-N 445.446 5.051 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1N=Cc1c(Cl)cccc1Cl 2325522044 LLLQLNGRBLBMBU-UHFFFAOYSA-N 437.371 6.241 30 10 IKEE O=C(C=Cc1ccccc1Br)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 2325603840 UXHLTQILOSLLJC-UHFFFAOYSA-N 432.623 5.342 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2c(F)cccc2Cl)c1)c1ccc(Cl)cc1Cl 2325709564 DVWRLTRNPOMPKQ-UHFFFAOYSA-N 449.692 6.901 30 10 IKEE Cc1c(OCC(=O)Nc2ccccc2C(C)C)ccc2c1OC(=Cc1cccc(F)c1)C2=O 2325726400 KZEQNQOEPSQIRD-UHFFFAOYSA-N 445.490 5.891 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(OCC(=O)Nc3ccccc3C(C)C)c2C)C1=O 2325726578 SSYAGUWVNMUBDU-UHFFFAOYSA-N 447.556 6.122 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2cccc(OC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)c2)cc1 2325750795 LRYMQEKKUUJFLJ-JWQCQUIFSA-N 444.958 7.069 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccc(F)cc1 2326083942 LDFDMAZJYSYEPG-UHFFFAOYSA-N 432.952 5.467 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1c(C)n(CC)c2ccccc12 2326252244 AOSLJVCPYDGVFJ-UHFFFAOYSA-N 449.599 6.217 30 10 IKEE CCCOc1ccc(C=Nn2c(CC)nnc2SCc2ccc(C)cc2)cc1[N+](=O)[O-] 2326296267 MOTBWINDHSHQPL-UHFFFAOYSA-N 439.541 5.020 30 10 IKEE Cc1ccc(CSc2nnc(COc3cc(F)ccc3F)n2N=Cc2ccco2)cc1 2327422338 DEYBKVATLQLZRG-UHFFFAOYSA-N 440.475 5.211 30 10 IKEE COc1cccc(CCc2nnc(SCCc3ccccc3)n2N=Cc2cccs2)c1 2328648557 VRXUNSMQOCDYSM-UHFFFAOYSA-N 448.617 5.350 30 10 IKEE CCSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1ccc(Cl)c(Cl)c1 2328792547 VEOJCUDMFNMXLQ-UHFFFAOYSA-N 435.380 5.775 30 10 IKEE CCSc1nnc(COc2ccc(C)cc2C)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2328890529 IRLZUWFGRJUOLT-UHFFFAOYSA-N 445.932 5.030 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2ccccc2F)cc1 2329247058 IPDCSMJSXYOTSF-UHFFFAOYSA-N 446.551 5.500 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2N=Cc2ccccc2)cc1 2329383713 YCBZBTHZDRBDJP-UHFFFAOYSA-N 426.589 5.969 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3C)n2N=Cc2ccccc2O)c1 2329476668 MAGHHWYXIWSDKD-UHFFFAOYSA-N 442.588 5.560 30 10 IKEE CCCCOc1ccc(C=Nn2c(CCc3ccccc3C)nnc2SCCC)cc1 2329500774 JAVUWGSQXHDWCB-UHFFFAOYSA-N 436.625 5.935 30 10 IKEE Fc1ccc(C=Nn2c(COc3ccccc3)nnc2SCCc2ccccc2)cc1 2329919416 YFKIMZPCPGXVQU-UHFFFAOYSA-N 432.524 5.213 30 10 IKEE COc1cccc(C=Nn2c(SCCc3ccccc3)nnc2[C@H](C)c2ccccc2)c1 2330110902 VTIYVSNJQSJMKZ-HXUWFJFHSA-N 442.588 5.656 30 10 IKEE Clc1ccccc1CSc1nnc(CC2CCCCC2)n1N=Cc1ccccc1 2330275629 HRNAYQVECMTPNG-UHFFFAOYSA-N 425.001 6.229 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1ccc(F)cc1 2330671390 JOZDILRUUWILIN-UHFFFAOYSA-N 440.470 6.493 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)cc(Cl)c1OC(=O)c1cccs1 2330791360 GIJHCBKIBJBCPN-UHFFFAOYSA-N 442.920 5.924 30 10 IKEE COc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccc(F)cc2)c(OC)c1 2330810560 RVYAQRIZCXMOQP-UHFFFAOYSA-N 442.560 5.198 30 10 IKEE Clc1ccc(CSc2nnc([C@H]3CCCO3)n2N=Cc2ccccc2)c(Cl)c1 2330999121 AUVPTFZDIVAXDL-GOSISDBHSA-N 433.364 5.611 30 10 IKEE Clc1cccc(CSc2nnc([C@H]3CCCO3)n2N=Cc2cccc3ccccc23)c1 2331001109 ZYMKNMMNVZTAHB-JOCHJYFZSA-N 448.979 6.111 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(C3CCCC3)n2N=Cc2ccccc2C)o1 2331065689 PDBMEFRSJQIBPQ-UHFFFAOYSA-N 438.553 5.188 30 10 IKEE Cc1ccccc1CSc1nnc(C(F)(F)F)n1N=Cc1c(Cl)cccc1Cl 2331115407 JJIMIFVMYLONQV-UHFFFAOYSA-N 445.297 6.087 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2331236700 VRSYDAPYSPFCKO-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 2331327537 RAIMIEAKGDULTC-UHFFFAOYSA-N 445.471 5.726 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1C 2331411887 NAUYCDRYHXUQMN-UHFFFAOYSA-N 442.555 6.481 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc([N+](=O)[O-])cc1 2331417131 UIHTYAMDDYXPLP-UHFFFAOYSA-N 429.933 5.312 30 10 IKEE CCc1ccc(C=Nn2c(SCC(=O)Nc3ccc(C)cc3)nnc2C2CCC2)cc1 2331498369 KAOUFRFMNDDGNX-UHFFFAOYSA-N 433.581 5.029 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)cc(Br)c1OC(=O)C(C)(C)C 2331537714 PASVNAGFSZCOAS-UHFFFAOYSA-N 449.316 5.835 30 10 IKEE Cc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(Oc4ccccc4)cc3)cc2)c1 2331592215 GULMDGDPMCMQMJ-UHFFFAOYSA-N 434.491 6.903 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)C3CC3)c(Br)c2)c(C)c1C 2331615320 KMPRCWNIQAQVJN-UHFFFAOYSA-N 429.310 5.286 30 10 IKEE Cc1cccc(OCC(=O)Oc2ccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)cc2)c1C 2331643864 ZCDMPRQWFUBTOJ-UHFFFAOYSA-N 442.555 6.418 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2ccc(OC(=O)c3ccco3)c(Cl)c2)cc1Cl 2331697988 CTTWRJLVXRQPKP-UHFFFAOYSA-N 447.270 5.719 30 10 IKEE CC(C)c1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(O)c(O)c1 2331705363 MINJXYJTQZTLMU-UHFFFAOYSA-N 437.352 5.294 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)CCOc3ccccc3)c([N+](=O)[O-])c2)cc1C 2331707300 MIEPVXWQJHVAIP-UHFFFAOYSA-N 445.471 5.482 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)c1ccncc1 2331710236 YBNVACQOVJMIHU-UHFFFAOYSA-N 427.500 5.551 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc(Cl)c1OC(=O)CC 2331750603 JYVBJIRFGQQMCZ-UHFFFAOYSA-N 437.319 5.921 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)[C@H]1CCCO1 2331801063 VLIHUBUPKCBGBL-XMMPIXPASA-N 436.548 5.672 30 10 IKEE C[C@H](CCNC(=O)OC(C)(C)C)CCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339604584 RKIBRNHEEHZCJZ-GPZRYRNASA-N 446.397 5.046 30 10 IKEE CC1(C)OB(c2ccc(Oc3ccc(Br)c(Cl)c3)c(C#N)c2)OC1(C)C 2364704460 PMAJTIWGCBIXKD-UHFFFAOYSA-N 434.526 5.066 30 10 IKEE CC(C)(C)OC(=O)N[C@]1(C)C[C@H]2CC[C@H]1C[C@]2(C#N)Nc1cccc(Br)c1 2381194862 HXFNKPXTVWZJKY-REABXYAWSA-N 434.378 5.227 30 10 IKEE CCCCCCOc1ccccc1C(=O)NC(=S)Nc1sc2c(c1C#N)CCC2 14041138 CSWCDIXULRSKNY-UHFFFAOYSA-N 427.595 5.194 30 10 IKEE CC(C)Oc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2O)cc1 21240735 LCLXUHBONZSXPB-GDJIYFAZSA-N 440.543 6.159 30 10 IKEE C=CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)[C@@H](C)CC 36316223 VIJBPICREKKJDO-GMAHTHKFSA-N 449.595 5.043 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OC(=O)c4ccccc4C)cc(C)c3C2=O)c2ccccc21 41284939 BRXRHSGGBBTISY-QFEZKATASA-N 437.495 6.113 30 10 IKEE COc1ccc(/C(CSc2nc3ccccc3[nH]2)=N\Nc2cccc([N+](=O)[O-])c2)cc1 59460546 CHPCIUODPLFHNO-QLYXXIJNSA-N 433.493 5.088 30 10 IKEE CCCCCCCOc1cccc(NC(=O)c2sc3cc(OC)ccc3c2Cl)c1 100463700 AKPGRSDKNHPOQF-UHFFFAOYSA-N 431.985 7.165 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccc(C)c(C)c2)cc1 169924439 YJVIIDUWFDMCGC-OAQYLSRUSA-N 448.544 5.168 30 10 IKEE CCOc1c(Br)cc(/C=N\Nc2nc(-c3ccccc3)c(C)s2)cc1OC 169940419 KCQWSTGLFIJLST-UUYOSTAYSA-N 446.370 5.734 30 10 IKEE CCOC(=O)c1sc(N/N=C\c2cc(Cl)c(OCC(C)C)c(OCC)c2)nc1C 169941398 NFLPMOOIMIAAEN-YVNNLAQVSA-N 439.965 5.161 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccc(O)cc2)c1 169964920 LXBLHAOAAOKCOK-QHCPKHFHSA-N 447.918 5.441 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2cccc(C)c2)c1 169970033 JEQAXXUUOXVMIS-QHCPKHFHSA-N 447.918 5.830 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccc(Cl)cc1)c1ccc2c(c1)CCO2 170057607 UBNFGLMFPPKIQY-QFIPXVFZSA-N 449.865 5.197 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)cc1C 170062466 LFFTXGNMBOLGIZ-QFIPXVFZSA-N 435.882 5.879 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1ccc(F)cc1)c1cc2ccccc2o1 170063923 UYIIBZOTZUSHPO-QFIPXVFZSA-N 449.384 5.633 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2sccc2C)c1 170105068 DVXGMIDYJBEBGI-IBGZPJMESA-N 439.920 5.501 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2cccc(C)c2)cc1 170142034 ZWXZNNLAIDOFQY-SANMLTNESA-N 437.539 5.965 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 170142474 RUTAUQFURKOXBF-QHCPKHFHSA-N 426.447 5.097 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1cccnc1 170184212 XXGXAIXSNFMANX-HSZRJFAPSA-N 444.506 5.610 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@H]1c1cccc2ccccc12 170221015 MOFRAOFMGBSDFU-HSZRJFAPSA-N 449.934 5.880 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2)cc1C 170221868 ZOFDEDAXKSWVHE-JOCHJYFZSA-N 433.529 5.234 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@H]1c1ccccc1 170228698 OHOAWEJXMGYOGO-RUZDIDTESA-N 441.527 5.813 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 170229540 QLTVVFMHAMBGDZ-HXUWFJFHSA-N 425.818 5.401 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1ccc(CC)cc1 170268375 JQUFSUMNFKJYPN-RUZDIDTESA-N 449.591 6.113 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)cc(OC)c3o2)[C@H]1c1ccc(C)o1 170309415 DXIAUQVKKIIWIW-LJQANCHMSA-N 443.883 5.375 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 170456512 PGMVUNLOCYZCGQ-SANMLTNESA-N 441.527 6.303 30 10 IKEE N#C[C@H](C(=O)/C=C\c1ccc(Br)s1)C(=O)Nc1cccc2ccccc12 221692492 UIWARGPXXAQQLB-SIJIIQCFSA-N 425.307 5.025 30 10 IKEE C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@@]43C)[C@H]1C/C(=C/c1cccc(Br)c1)C2=O 252623209 OMJIZRMQBBHMOY-PMADNINYSA-N 441.453 7.444 30 10 IKEE C=CCn1c(SCCC(=O)Nc2cccc(OC)c2)nnc1-c1ccc2ccccc2c1 253563893 FXBGKGVNVYZTFC-UHFFFAOYSA-N 444.560 5.414 30 10 IKEE CCCCCCCCC[C@@H](N)c1ccc(Br)cc1NC(=O)OC(C)(C)C 406506770 SQIPOMJWUDKWQS-GOSISDBHSA-N 427.427 6.937 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2c[nH]c3ccccc23)cc1 526605683 YXLPWTQKKOAZHN-SANMLTNESA-N 449.510 5.886 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(O)c(Cl)c2)c1 526606479 KVKLGKOPLJSMSM-HSZRJFAPSA-N 446.890 5.373 30 10 IKEE COc1ccc([C@@H]2C(c3cccc4ccccc34)=C(O)C(=O)N2c2ccccc2C#N)cc1O 526610746 PPONJIPIFAMQMY-AREMUKBSSA-N 448.478 5.483 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1cn(CC)c2ccccc12 526811313 HJOHZVXXSXSLKY-YUMHPJSZSA-N 445.636 6.387 30 10 IKEE CCN(CC)c1ccc(/C=N\n2c(C)nnc2SCc2ccc(Cl)c(Cl)c2)cc1 526814608 MMYMWOYAMRAZSO-CFRMEGHHSA-N 448.423 5.914 30 10 IKEE Oc1ccc2ccccc2c1/C=N\n1cnnc1SCc1ccc(Br)cc1 526819466 HRMKUPUHODQZDN-KSEXSDGBSA-N 439.338 5.074 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1ccc(Cl)cc1Cl 526825979 PHEZQGOOLAKRIQ-MSXFZWOLSA-N 437.371 6.241 30 10 IKEE N#Cc1ccc(C(=O)N(Cc2ccccc2)c2nc3c(C(F)(F)F)cccc3s2)cc1 585169844 TZVQAALNHSHGRN-UHFFFAOYSA-N 437.446 6.034 30 10 IKEE CCCCCCCCCCCC[C@@H](N)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 692613335 HJLNZKYGDBUOAT-RUZDIDTESA-N 432.693 7.452 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2ccc(Br)cc2C)c1 698483527 CCLBHOLIXSYJNC-IBGZPJMESA-N 431.330 5.773 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@H](C#N)c1ccc(Cl)c(Br)c1 698819788 OJDROWLQMWUPGV-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C1 698868682 JTRBRZYUGYYETF-MWTRTKDXSA-N 433.524 5.106 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OCc3ccccc3)C2)cc1 698889294 PFWNCSFZGJKOAU-RUZDIDTESA-N 435.524 5.041 30 10 IKEE COC1(OC)CCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 704571151 DQKFRPZOBQMCHJ-IBGZPJMESA-N 439.350 5.016 30 10 IKEE C[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 710723838 FUEKXPANSWUYGT-HJPURHCSSA-N 449.979 5.763 30 10 IKEE C=C(Cl)C[C@H](NCCC)c1ccc(I)c(Br)c1 721617793 YOHOALDPHCERHG-ZDUSSCGKSA-N 428.539 5.237 30 10 IKEE COc1ccccc1CNN=Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc12 1084288708 GGCIZZBGWMWISS-UHFFFAOYSA-N 430.935 6.205 30 10 IKEE COc1ccc(CCN2/C(=N/c3ccc(C)cc3)S[CH][C@H]2c2ccccc2)cc1OC 1614593013 APJRPJYOSAQPIT-WOLPYFHWSA-N 431.581 6.194 30 10 IKEE O=C1/C(=C\c2cccc(Cl)c2)SC(=Nc2ccncc2Cl)N1c1ccccc1 1772735171 GUVYFYPSLBPKNH-KHCNQNERSA-N 426.328 6.197 30 10 IKEE Cc1cccc(NC(=O)c2oc3c(c2C)C(=NNc2cccc(C(F)(F)F)c2)CCC3)n1 1772750714 IFIGJVJMMVMICS-UHFFFAOYSA-N 442.441 5.715 30 10 IKEE CCOc1cc(C(=O)Nc2ccc(Nc3ccccc3C#N)nc2)cc(OCC)c1OCC 1858427135 RXUQMZKXPNPEEW-UHFFFAOYSA-N 446.507 5.145 30 10 IKEE CCc1nc2ccc(C(=O)Nc3oc(-c4ccccc4)c(-c4ccccc4)c3C#N)cc2o1 1859743742 GPKFZNRTOVXXEZ-UHFFFAOYSA-N 433.467 6.441 30 10 IKEE O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(c1ccc(F)c(F)c1)C1CCCC1 1859951813 OVMREWJSEVFDHW-UHFFFAOYSA-N 437.330 6.592 30 10 IKEE CCCCc1ccc(NC(=O)COc2cccc(NC(=O)c3cccc(C#N)c3)c2)cc1 1860134005 XYIWLUQJIBSPEB-UHFFFAOYSA-N 427.504 5.171 30 10 IKEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)/C=C/c1ccc(Cl)c(Cl)c1 1861573305 NMMUOGWYXXFKIG-FYWRMAATSA-N 441.443 6.158 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2ccccc2)cc1 1862413871 MQGOLVXUGNMYLU-QHCPKHFHSA-N 433.454 5.306 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C(C)C)cc1 1862438170 IPMCOBWUYZRPGK-JOCHJYFZSA-N 441.955 5.896 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@@H]1c1ccccc1F)c1cccc(Cl)c1 1862441631 AWITWAOEBKBLHZ-OAQYLSRUSA-N 439.845 5.397 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(Cl)c(Cl)c1 1862450503 JFJSFNNEPZWPJL-BBATYDOGSA-N 438.738 6.024 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cc(C)ccc2C)cc1 1862476253 HAJNOPOEOMUOFE-VWLOTQADSA-N 441.527 5.399 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1 1862477138 SQVCVXDYRUVKLG-GGAORHGYSA-N 439.983 6.586 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccccc2C)cc1 1862490594 ZERQAZUERJIFGR-RUZDIDTESA-N 441.527 5.399 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(Cl)cc2)ccc1F 1862502678 GWBGXCPIXZVLBP-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(O)cc1 1862506933 CCBYAHUSHMUXOF-QHCPKHFHSA-N 439.527 5.779 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2[C@@H](C)CC)c1 1862618706 HNGIAKHQMSWBMV-SBUREZEXSA-N 435.564 5.760 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2cccc(Cl)c2)cc1 1862660585 KHBBJFBZMLSFRU-UNMCSNQZSA-N 439.939 5.221 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccccc2Cl)cc1 1862689566 TXBDQAGVETYZES-RBQRDFNRSA-N 439.939 5.506 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2C2CCCC2)cc1 1862695402 DTLLQEWPFVFOLQ-DEOSSOPVSA-N 448.563 5.062 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(N(C)C)cc1 1862727040 VMSAZFDCOZENKZ-DEOSSOPVSA-N 426.516 5.018 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C(F)(F)F)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862896414 MSSVLTWQPSBYQJ-UHFFFAOYSA-N 447.416 5.282 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3cccc4c3CCCC4)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1863030878 PXHJLSZBLYHCLF-UHFFFAOYSA-N 447.538 5.451 30 10 IKEE N#Cc1cccc(N2C(=O)C(Nc3cccc(Cl)c3Cl)=C(c3cccs3)C2=O)c1 1863112448 DTRYMWAJOABFTO-UHFFFAOYSA-N 440.311 5.323 30 10 IKEE CC[C@@](C)(NC(=O)[C@@H](c1ccc(Cl)cc1)C1CCCC1)C(=O)Nc1ccc(C#N)cc1 1867007052 DMXDVKUCTXUESW-RCZVLFRGSA-N 437.971 5.409 30 10 IKEE CCCC[C@@H](NC(=O)[C@H](c1ccc(OC)cc1)C1CCCC1)C(=O)Nc1ccccc1C#N 1867011896 RNDPDFHQJYJNTO-RPBOFIJWSA-N 447.579 5.154 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N2CCC[C@H](C)C2)nn1-c1ccc(Cl)cc1 1869986619 XWICGRWHXJWWSI-SFHVURJKSA-N 432.012 5.846 30 10 IKEE CCCCCCOc1ccc(C(=O)Nc2c(C#N)nnn2-c2ccc(C(C)(C)C)cc2)cc1 1870143932 IBLPUVAFNLCZPS-UHFFFAOYSA-N 445.567 5.648 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)N(CC)CC)c(=O)cc1CSCC 1870173128 UIMAGKNMLFZCPE-UHFFFAOYSA-N 438.678 5.489 30 10 IKEE CCCCCCCOc1cn(CCc2ccccc2)c(CN2C[C@H](C)O[C@H](C)C2)cc1=O 1870409024 ICXOMAVYOCJHNA-ZRZAMGCNSA-N 440.628 5.049 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)OC)c(=O)cc1CN(CC)CCCC 1870448442 INFKRFKJHXBWPF-UHFFFAOYSA-N 436.637 5.163 30 10 IKEE CCCCCCCOc1cn(CCCN(C)C)c(CNc2cc(Cl)ccc2C)cc1=O 1870837618 PGWCFGGQVHKADN-UHFFFAOYSA-N 448.051 5.723 30 10 IKEE C=CCn1cc(OCCCCC)c(=O)cc1CNc1ccc(Cl)c(C(F)(F)F)c1 1871128583 GAIZLHZPPGGWRL-UHFFFAOYSA-N 428.882 5.888 30 10 IKEE CCCCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(N(CC)CC)cc1)C3=O 1871352037 MNQUGWBPVCJGHL-UQQQWYQISA-N 448.607 6.190 30 10 IKEE C=CCOc1cccc(C(=O)Nc2ccc3c(C)c(C(=O)c4ccc(C)cc4)oc3c2)c1 1871358889 UZVPOBZSAHWMGR-UHFFFAOYSA-N 425.484 6.098 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1[N+](=O)[O-] 1871374874 HIUWDEWLAGAEGJ-NHDPSOOVSA-N 435.819 5.392 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O)c1ccc(Cl)c([N+](=O)[O-])c1 1871383026 AQOLZVNYUCQXSU-JMIUGGIZSA-N 439.782 5.223 30 10 IKEE CCCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccs2)C3=O)cc1 1871390667 IIODGNDAYHPCPS-STZFKDTASA-N 434.469 5.289 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(O[C@@H](C)C(=O)Nc3cccc(C)c3C)c2C)C1=O 1871413463 HJAXSIHYAYRLPN-FXONECCMSA-N 441.527 5.942 30 10 IKEE CC(C)OC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871414518 LRRQUNWBSXEWOX-CFRMEGHHSA-N 448.902 6.100 30 10 IKEE N#Cc1ccccc1COc1ccc2c(=O)c(-c3ccc(Br)cc3)coc2c1 1871436676 KOXMYGLAJKYNNQ-UHFFFAOYSA-N 432.273 5.673 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4c(C)cccc4C)cc(C)c3C2=O)cc1 1871440601 XQKYFLIOPWDSRF-QRVIBDJDSA-N 427.500 5.554 30 10 IKEE CCCCCCCCCCN=c1nc(N(C)C)[nH]c(=Nc2ccc(Cl)c(Cl)c2)[nH]1 1871486744 CTXIDGUDAFACQP-UHFFFAOYSA-N 439.435 5.384 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1 1872497332 AGPWHSMAPQUSNM-JOCHJYFZSA-N 449.016 5.331 30 10 IKEE N#C[C@H](C(=O)c1cc(Cl)ccc1Cl)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872760581 RVYRDUQGQOWLCQ-GOSISDBHSA-N 427.356 6.486 30 10 IKEE COc1cc(/C=C/C(=O)[C@H](C#N)c2nc(-c3cc(C)ccc3C)cs2)cc(OC)c1OC 1872772152 KVBABOVCMHZTKM-SGQUHAKNSA-N 448.544 5.342 30 10 IKEE CC(C)(C)c1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 1872773599 RNXSQONSSXSPPC-IUYMFKLXSA-N 430.529 5.726 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)nc3)n2)c1 1872780820 MFWAZJFPOCGEPF-INIZCTEOSA-N 427.913 5.146 30 10 IKEE CCCCC1CCC(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3OC)cs2)CC1 1872783713 GJQLMEXCKNGVSG-UHYCVJNDSA-N 426.582 6.000 30 10 IKEE COc1ccc(C(=O)[C@H](C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1OC 1872786620 OKZIXYCBEZGYBK-INIZCTEOSA-N 442.924 5.288 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCC)=C(c2cccc(Br)c2)C1=O 1873052721 TXMCOIZNOYDDES-UHFFFAOYSA-N 435.406 5.279 30 10 IKEE CCOc1ccccc1OCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1ccc[nH]1 1874239559 OGTNMXXDLRVMAD-CVKSISIWSA-N 447.564 5.067 30 10 IKEE CSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874268272 PCINWYGZMAYKNX-YDZHTSKRSA-N 437.912 5.188 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCCc2ccccc2)n1/N=C/c1ccc[nH]1 1874300139 AFUFENIOVSHTOE-WGOQTCKBSA-N 431.565 5.019 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3F)n2/N=C/c2cccnc2)c(C)c1 1874327195 BLNAKMHRPOWHHA-MZJWZYIUSA-N 447.539 5.183 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(CCc2ccc(C)c(C)c2)nnc1SC 1874328750 DPKMGYWLWHKLEH-WGOQTCKBSA-N 430.577 5.446 30 10 IKEE Fc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccc(Cl)cc2)cc1 1874419661 XZNOROQFTKPPCM-CVKSISIWSA-N 436.943 5.836 30 10 IKEE Cn1cc(/C=N/n2c(SCc3ccc(F)cc3)nnc2-c2ccccc2)c2ccccc21 1874426334 CUZSBKPKYIQQGO-JFLMPSFJSA-N 441.535 5.750 30 10 IKEE O=[N+]([O-])c1cccc(/C=N/n2c(SCc3cccc(F)c3)nnc2C2CCCC2)c1 1874454107 ASAQJQBPDWOZTN-YDZHTSKRSA-N 425.489 5.158 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(O)c(OCC)c1 1874476491 ODWRDAPFZGQSHE-ZVHZXABRSA-N 428.533 5.039 30 10 IKEE CCCCOc1ccccc1/C=N/n1c(S)nnc1CCCOc1ccc(Cl)cc1 1874570558 YDACVLIIOFGMPP-LFVJCYFKSA-N 444.988 5.293 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2ccc([N+](=O)[O-])cc2)cc1OC 1874573040 RYSPQNIIKBBPFB-UKTHLTGXSA-N 449.459 5.096 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1cccc2ccccc12)c1ccc(F)cc1F 1874576356 JMGQFSVCOMZJAA-XYOKQWHBSA-N 434.869 7.247 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1OCc1ccc(C)cc1 1874592415 XYYVBFUACDMCHF-JLHYYAGUSA-N 427.327 6.786 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)c(Cl)c2)c1 1874605148 HSMLITKJRUBADY-IYPOZPNPSA-N 449.934 5.501 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2Cl)cc(OC)c1OCCc1ccccc1 1874608593 WPQOEQAVIDCOCB-CCEZHUSRSA-N 432.947 6.595 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(C(=O)OCC)o3)cc2)cc1 1874616777 RRDSBGKIZDGTQY-VIZOYTHASA-N 434.488 5.720 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OCC(=O)Nc1ccccc1 1874618395 YJKKXEIEHRMSOU-OUKQBFOZSA-N 445.515 5.234 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OCC(=O)Nc1nccs1 1874623269 UFKHXDHFXYEGDD-PKNBQFBNSA-N 444.512 5.219 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)OC)c(OC)c2)cc1 1874624584 KNIMZHFSLMBSBT-OQLLNIDSSA-N 440.536 5.492 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2ccc(OCc3cccc(C)c3)cc2)cc1Cl 1874637295 RUJGCHDJVWCJOD-DHZHZOJOSA-N 427.327 6.786 30 10 IKEE CCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(C)cc1C 1874690120 DCNMQGGCXJJCGA-SANMLTNESA-N 447.623 6.201 30 10 IKEE COc1cccc(C(=O)/C=C/c2cccc(OC(=O)[C@@H](C)Oc3ccc(Cl)cc3)c2)c1 1874695125 LWCIXIWPOORKHL-RKCSUWQLSA-N 436.891 5.618 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1OC(=O)CSc1ccccc1 1874707527 JQCCJAQBACJJFB-JXMROGBWSA-N 448.496 5.018 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)COc2ccccc2)c1 1874715222 IZJZLFZKDGKOGF-VAWYXSNFSA-N 436.891 5.538 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1OC(=O)c1cccs1 1874715827 NPHKUZADRMGZLQ-FMIVXFBMSA-N 434.557 6.478 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)ccc1OC(=O)CCc1ccccc1C 1875100413 AQCZNBNNNAASOY-NTCAYCPXSA-N 444.527 5.837 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3cccc(F)c3)c(OC)c2)c1 1875101457 OYGLTNGEVPPNDV-MDZDMXLPSA-N 440.854 5.612 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)c3ccccc3)c(OC)c2)cc1 1875138949 KIMBAFIRBSZDHR-QGRTWZNFSA-N 444.527 6.089 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3C)c(Br)c2)c1 1875139721 WXVOSLQJIVBMPN-ZRDIBKRKSA-N 449.344 6.490 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccccc2OC)c(Cl)c1 1875143330 VCBBNGFRFHCNQP-PKNBQFBNSA-N 436.891 5.781 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)cc1 1875143700 MOQDUNBQEIESDO-ULNQUZHKSA-N 446.930 6.262 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2cc(OC)ccc2OC)cc1OC 1875144024 BVSQMWQOBWDBKW-CSKARUKUSA-N 432.900 5.358 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1Cl 1875149674 BFBVKCLDCGTLSI-FMIVXFBMSA-N 442.939 6.621 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cc(-c4ccc(F)cc4)c[nH]3)ccc21 1890665331 DWZROHQZSAWLRV-UHFFFAOYSA-N 433.483 5.011 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CC1(N(C)C(=O)OC(C)(C)C)CCCCC1)NCCC 1922072200 RWPJLAOHLVJRHU-XMMPIXPASA-N 444.660 6.088 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1ccc(CN(C)C(=O)OC(C)(C)C)o1 1922124721 IQVUGSJBYRZNNO-QHCPKHFHSA-N 428.573 5.460 30 10 IKEE CC1(C)OB([C@H]2CCCN(C(=O)c3cscc3OCc3ccccc3)C2)OC1(C)C 1950319071 COPFAKOHDZNIHO-SFHVURJKSA-N 427.375 5.026 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2010803543 PKMJDYXVWHQVRC-KIHHCIJBSA-N 428.617 5.306 30 10 IKEE CCCC#CC[C@H](NCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2024373691 RPPSLIXCDFGHNS-OZXSUGGESA-N 428.617 5.002 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)CCC1(C)C 2038519463 NAOLNAHBNWMFDZ-XMMPIXPASA-N 447.551 5.639 30 10 IKEE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1C#N 2054197704 UCGRVJPDVNJUPV-UBFVSLLYSA-N 433.596 5.489 30 10 IKEE COc1ccc([C@H](C2CCC2)n2nc(C(C)C)c(C#N)c2I)cc1C 2079938588 GAGUCLACQUTTDK-IBGZPJMESA-N 449.336 5.189 30 10 IKEE CCCOc1ccc([C@H](C2CC2)n2nc(C3(C)CC3)c(C=NO)c2Br)cc1 2080070570 FCCQDLVCZRIOCK-SFHVURJKSA-N 432.362 5.293 30 10 IKEE N#Cc1c(C2CCOCC2)nn(Cc2ccc(C(F)(F)F)c(Br)c2)c1Cl 2080293782 HBHMJFCXGKQLDJ-UHFFFAOYSA-N 448.670 5.132 30 10 IKEE CC(C)(C)c1nn(C(F)(F)F)c(Br)c1-c1ccc(C(F)(F)F)cc1F 2080748116 VIBSIQUCYCWDJJ-UHFFFAOYSA-N 433.165 6.244 30 10 IKEE N#Cc1cnc2c(-c3ccc(C(F)(F)F)cc3Br)c(C3CCC3)nn2c1O 2081541326 DNFYXEXDTVSGOC-UHFFFAOYSA-N 437.219 5.022 30 10 IKEE CCCCCC#CC[C@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2083429784 DJXKZFXEQRRMIH-HVCNVCAESA-N 444.660 5.827 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)cc1Br)NCC 2088520835 YPXNXDCZKTZFSF-ROUUACIJSA-N 445.829 5.483 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1cc2sccc2s1 2140590616 XZPIGQADDPVHEX-CQSZACIVSA-N 449.395 6.732 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)ccc(Br)c1F 2159126624 WXSGSVOUHQMTEK-YJBOKZPZSA-N 445.348 5.075 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)C[C@H]2CC(F)(F)C[C@H]2C1 2160232150 UJIQXUPGTDVSHF-BDQBCWGISA-N 441.316 5.908 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H](Nc3cc(Br)c(C#N)cc3F)[C@H]1CC2 2162324517 VRARYPMJJXTFMJ-QANKJYHBSA-N 438.341 5.192 30 10 IKEE CC[C@H]1CC=C(C(=O)[C@@H](Cc2ccc(Br)cc2)NC(=O)OC(C)(C)C)CC1 2181559580 FYUSSGYDIRGYPS-HNAYVOBHSA-N 436.390 5.591 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCC)c2c(F)cc(C)cc2Br)C1 2183008492 PSLZOEYLYJTLBF-SFHVURJKSA-N 441.385 5.408 30 10 IKEE C[C@H](Nc1ccc(C#N)c(Br)c1)c1ccc(CNC(=O)OC(C)(C)C)cc1 2187544266 QXUCOPMACGKANW-AWEZNQCLSA-N 430.346 5.519 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Oc2ncccc2B2OC(C)(C)C(C)(C)O2)ccc1Cl 2224124301 MHVGCGAGMKNROO-UHFFFAOYSA-N 446.740 5.174 30 10 IKEE Cc1cc(Br)cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)c1 2228980901 HDTKEJJARPWGPP-SFHVURJKSA-N 435.749 6.417 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCC[C@]2(C#N)Nc2cccc(Br)c2)C1 2233751175 KHIOYCABBZBONJ-RRMPHLOHSA-N 434.378 5.180 30 10 IKEE C=CCC1([C@H](NCC)c2cc(Cl)cc(Cl)c2Cl)CN(C(=O)OC(C)(C)C)C1 2235577131 OIYKLROKNUOFBX-QGZVFWFLSA-N 433.807 6.111 30 10 IKEE C=CCCCCCCC(=O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237398055 JXJHWIVSGPYKSP-LJQANCHMSA-N 438.406 5.981 30 10 IKEE CCCCC#CC[C@H](NC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237424320 UZERMGSYGDDVRE-VQTJNVASSA-N 437.422 5.057 30 10 IKEE C[C@@H](N(Cc1ccccc1)C(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2267402553 AVTFFAHRYJGTDF-GOSISDBHSA-N 439.380 5.202 30 10 IKEE CC(C)(C)OC(=O)Nc1cc([C@H](N)C#Cc2cccc(Br)c2)ccc1Cl 2278739110 DGFMBXIIANQSKA-QGZVFWFLSA-N 435.749 5.501 30 10 IKEE O=C(C#Cc1ccc(Br)cc1)c1ccc(Br)c(Br)c1 2278780659 DFZMFGRHOOPKPH-UHFFFAOYSA-N 442.932 5.209 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](Nc2cc(Br)ccc2C#N)C[C@@H]2CCCC[C@H]21 2279522042 MODLVXAHSYCWEG-POZUXBRTSA-N 434.378 5.301 30 10 IKEE Cc1cc(OCc2ccccc2)ccc1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)oc1C 2281808629 WNVJJKKRBZYSOR-UHFFFAOYSA-N 447.340 5.027 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Br)cc(C(C)(C)C)c1 2288666426 UAIHAUHZNJCPMT-MOPGFXCFSA-N 439.438 5.867 30 10 IKEE CCCCCCCCC[C@@H](C)NCc1scc(Br)c1Br 2295674968 WXQBTKASRWFCOL-CYBMUJFWSA-N 425.274 6.892 30 10 IKEE CN[C@@H](C#Cc1cccc(Br)c1)CCC(C)(C)CCNC(=O)OC(C)(C)C 2296217295 SNWYGLLRYUGMJA-IBGZPJMESA-N 437.422 5.110 30 10 IKEE O=C(C=Cc1ccc(-c2ccc(Br)cc2Br)o1)c1ccccc1 2296515158 CGUWKGCEPDDHRP-UHFFFAOYSA-N 432.111 6.368 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3c(ccc(OC(=O)c4cccs4)c3C)C1=O)cn2C 2296604237 PNMFHKOIQLOJIB-UHFFFAOYSA-N 445.496 5.392 30 10 IKEE COc1ccc(C=C2Oc3c(cc4c(c3C)OCN(CCc3cccs3)C4)C2=O)cc1 2296984249 HHMFHMTYWZRTRK-UHFFFAOYSA-N 433.529 5.076 30 10 IKEE COc1ccc2c(c1)C1=NN(C(C)=CC(C)=O)[C@@H](c3ccc(Br)cc3)[C@H]1CC2 2297320966 WORYLAZEPKLIAL-REWPJTCUSA-N 439.353 5.274 30 10 IKEE CC(C)C[C@@H](CS)COc1cc(Br)cc(I)c1 2308055768 HCHDIVBWWGQJHH-SNVBAGLBSA-N 429.161 5.025 30 10 IKEE COc1ccc(N=C2NC(=O)C(=Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)S2)cc1 2313511347 FKVRRMCOCJMSAB-UHFFFAOYSA-N 437.952 5.648 30 10 IKEE COc1ccc(Br)cc1C=NNc1oc([C@@H]2C[C@H]2c2ccccc2)nc1C#N 2320837383 UZKBZQMEHSNFKV-DLBZAZTESA-N 437.297 5.034 30 10 IKEE Cc1ccc(COc2ccc3c(c2C)OC(=Cc2ccc(Cl)cc2Cl)C3=O)cc1 2321745633 VLSVJTLIROCHRS-UHFFFAOYSA-N 425.311 6.805 30 10 IKEE COc1ccc(C=C2Oc3cc(OCc4ccc(Cl)cc4)cc(C)c3C2=O)cc1OC 2321767442 UTLYQBKDMMUXKR-UHFFFAOYSA-N 436.891 5.861 30 10 IKEE Cc1cc(OCc2c(Cl)cccc2Cl)cc2c1C(=O)C(=Cc1ccccc1F)O2 2321774141 ICHOILVQJKWMNM-UHFFFAOYSA-N 429.274 6.636 30 10 IKEE CC(C)c1nnc(SCc2c(F)cccc2Cl)n1N=Cc1cnc2ccccc2n1 2321842158 JSRCTOBYHUBGEC-UHFFFAOYSA-N 440.935 5.312 30 10 IKEE C=Cc1ccc(COc2ccc3c(c2C)OC(=Cc2ccc(N(CC)CC)cc2)C3=O)cc1 2321876030 GHTJSQRDEZQEQN-UHFFFAOYSA-N 439.555 6.679 30 10 IKEE C=CCOc1c(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc(Br)cc1OC 2322305693 MADJUTHCMGDHSW-UHFFFAOYSA-N 449.344 6.586 30 10 IKEE COc1cccc(C=C2Oc3c(cc4c(c3C)OCN(C3CCCCCCC3)C4)C2=O)c1 2322415194 NBEVVOUTISKOEY-UHFFFAOYSA-N 433.548 5.885 30 10 IKEE COc1ccc([C@@H](C)N2COc3c(cc4c(c3C)OC(=Cc3ccc(F)cc3)C4=O)C2)cc1 2322437241 SKPKCMCTZNYNEM-QGZVFWFLSA-N 445.490 5.672 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1cc(Cl)ccc1OCc1ccccc1C 2322931760 RNQGLBTZWLFERN-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCc3ccccc3Cl)c2)cc1Cl 2323310467 RHIIOINHZIPPHI-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(Cl)c1OCc1cc(C)ccc1C 2323602233 QQZVCCVLXIDCLK-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE Cc1cc(OC(=O)c2ccc(OCC(C)C)cc2)cc2c1C(=O)C(=Cc1ccccc1)O2 2323635111 FKWFXUDIYUQWHU-UHFFFAOYSA-N 428.484 5.865 30 10 IKEE CCOc1cc(C=NNc2nc(-c3c(C)cc(C)cc3C)cs2)cc(Cl)c1OCC 2323844432 MULAANWKRNVAGY-UHFFFAOYSA-N 444.000 6.632 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc3ccccc23)c(Cl)c1)c1ccc(F)c(F)c1 2324241502 ULJYDYYMIVJKBH-UHFFFAOYSA-N 434.869 7.247 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCCc3ccccc3)c([N+](=O)[O-])c2)c(C)c1C 2324305258 PTKTXTKMFNYGPM-UHFFFAOYSA-N 431.488 5.738 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(Cl)cc3Cl)n2)c(C)c1 2324522025 HCMYDNGIUJNYLM-GOSISDBHSA-N 427.356 6.623 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1C 2324630942 WVOGSCAQSJPDKB-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE Cc1ccc(CCOc2ccc3c(c2)OC(=Cc2ccc(Cl)c(Cl)c2)C3=O)cc1 2325367192 JOOZAUYTDVJOFZ-UHFFFAOYSA-N 425.311 6.540 30 10 IKEE CCCOc1ccc(C=Nn2c(CC)nnc2SCc2c(Cl)cccc2Cl)cc1 2325603441 GOGVTJRJFBLJCU-UHFFFAOYSA-N 449.407 6.111 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)c1 2325721679 UMVRFBXYSCPUHA-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE CCOc1ccc(CC(=O)Oc2cc(C=CC(=O)c3ccccc3OC)ccc2OC)cc1 2325722780 YLXRUVJQTJTTGC-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE Cc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(C(C)C)cc3)c2)cc1[N+](=O)[O-] 2325750771 AUZQNSBOETYLFV-UHFFFAOYSA-N 429.472 6.142 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)cc1C 2325771515 UVCWFTZTXXBCDV-UHFFFAOYSA-N 445.471 5.644 30 10 IKEE Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccc(OC(C)C)c(Cl)c1 2326810056 VDTLCWUDYWCLAP-UHFFFAOYSA-N 445.932 5.110 30 10 IKEE CCCCOc1ccc(C=Nn2c(COc3cccc(C)c3C)nnc2SCC)cc1 2328841341 PVMNYWBMEHAVJQ-UHFFFAOYSA-N 438.597 5.647 30 10 IKEE Clc1cccc(CSc2nnc(CCOc3ccccc3)n2N=Cc2ccc[nH]2)c1 2329217872 GVDAPZSMLILQFR-UHFFFAOYSA-N 437.956 5.056 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(F)cc2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2329835451 ZDTRZYXNAHFRFW-UHFFFAOYSA-N 445.907 5.120 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@H](C)c3ccccc3)n2N=Cc2cccc(O)c2)c1 2330110320 KTBZTWWETXHJQG-HXUWFJFHSA-N 442.588 5.927 30 10 IKEE CCCCCOc1ccc(C=Nn2c(CC3CCCCC3)nnc2SC)cc1OC 2330221296 PRBKOLZHNUSCJN-UHFFFAOYSA-N 430.618 5.583 30 10 IKEE COc1cccc(C=Nn2c(CC3CCCCC3)nnc2SCc2cc(C)ccc2C)c1 2330273576 DISUOCLVCOLJJO-UHFFFAOYSA-N 448.636 6.201 30 10 IKEE Oc1cccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccc(Cl)cc2)c1 2330507546 XVPLAOJUUDBQHG-UHFFFAOYSA-N 434.952 5.402 30 10 IKEE CCCOc1cccc(C=Nn2c(SCCc3ccccc3)nnc2-c2cccs2)c1 2330588288 BIMCOMYDYAODGA-UHFFFAOYSA-N 448.617 6.012 30 10 IKEE CCCSc1nnc(-c2cccs2)n1N=Cc1ccc(OCc2ccccc2C)cc1 2330592851 LAVOJMHCZACHLD-UHFFFAOYSA-N 448.617 6.278 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccs2)c(Cl)c1)c1ccc(-c2ccccc2)cc1 2330599650 JOSJVSFSXUEEFM-UHFFFAOYSA-N 444.939 7.184 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)C=Cc1cccc([N+](=O)[O-])c1 2330608698 LIVCITFVXURODO-QFIPXVFZSA-N 431.577 5.150 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)CCCC4)cc2)c(C)c1 2330678465 OGRDNAHMPNWWTI-UHFFFAOYSA-N 440.539 6.063 30 10 IKEE Cc1ccccc1CCC(=O)Oc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1 2330884481 WPTDVLDFRBCRGV-UHFFFAOYSA-N 449.344 6.192 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2ccc(F)cc2)nnc1[C@@H]1CCCO1 2330906243 XDQKNRHNRHFTBL-NRFANRHFSA-N 438.528 5.008 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1 2330952353 XHOHIUTYGIONLK-UHFFFAOYSA-N 434.491 6.478 30 10 IKEE Cc1cccc(C=Nn2c(SCC(=O)Nc3cccc(C)c3C)nnc2C2CCCC2)c1 2331029990 MTFPRTCLMANPGQ-UHFFFAOYSA-N 447.608 5.474 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1Cl 2331090698 FVVNBNIKZDHPLI-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1OC 2331154617 UXQJAGQCOAKXSU-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE CCc1ccc(C=Nn2c(SCC(=O)Nc3ccc(C)cc3)nnc2-c2ccco2)cc1 2331183275 MULPICKSWWRJLI-UHFFFAOYSA-N 445.548 5.022 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1ccccc1Cl 2331320229 MDZZORUZKLAFFM-UHFFFAOYSA-N 445.951 5.026 30 10 IKEE Cn1cc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C(C)(C)C)c2ccccc21 2331405345 IMKBSRJMIFZPLK-UHFFFAOYSA-N 438.000 5.895 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)c(C)c3)c([N+](=O)[O-])c2)cc1F 2331457920 YADFSPVOUUUCAU-UHFFFAOYSA-N 449.434 5.475 30 10 IKEE COCc1nnc(SCc2cccc3ccccc23)n1N=Cc1c[nH]c2ccccc12 2331594785 AWGRCFSUQWZDDM-UHFFFAOYSA-N 427.533 5.234 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)Cc1ccccc1Cl 2331715186 OMBBZWVBHJSESQ-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)c1ccc(F)cc1 2331767550 NTIHJOMPSHCCIK-UHFFFAOYSA-N 448.490 5.883 30 10 IKEE COc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3cc(C)c(OC)cc3C)cc2)cc1 2331835388 BRSCESPIHNLFHS-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c3ccccc23)cc1[N+](=O)[O-] 2331869339 HZWIQZXHLRRNAJ-UHFFFAOYSA-N 433.460 5.748 30 10 IKEE N#CCc1ccc(CSc2cc(I)ccc2Br)cc1 2338405114 ZZBQERLLMJUHBI-UHFFFAOYSA-N 444.135 5.412 30 10 IKEE Cc1cc(Oc2cccc(B3OC(C)(C)C(C)(C)O3)n2)c(C)cc1NC(=O)OC(C)(C)C 2338945019 RTEXUDZREXYQRN-UHFFFAOYSA-N 440.349 5.137 30 10 IKEE CN(c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CC(C)(C)[C@H]1OCc1ccccc1 2365108769 ZKYODDKGEPBTST-VWNXMTODSA-N 448.416 5.546 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)Nc2ccc(C(F)(F)F)c(Br)c2)C1 2370047688 WBBQLPDNOCHNQU-UHFFFAOYSA-N 449.267 5.020 30 10 IKEE CN1/C(=C\C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)C(C)(C)c2ccccc21 28606527 CBXMILCMUNJFAP-UNOMPAQXSA-N 425.941 5.363 30 10 IKEE C=CCOc1ccc(C(=O)Nc2nnc(SCc3cccc4ccccc34)s2)cc1 33432598 IMLZMRBRQWCHPX-UHFFFAOYSA-N 433.558 5.801 30 10 IKEE C[C@@H]1Oc2ccccc2C=C1/C=C1/Oc2cc(OC(=O)c3ccccc3F)ccc2C1=O 33490372 KYAGIFOYOBVIJX-MMTYYTLLSA-N 428.415 5.368 30 10 IKEE C=CCC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C(C)C 36307582 FQCXGBLXKWODMX-QFIPXVFZSA-N 437.559 5.556 30 10 IKEE C=CCC[C@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1 36346383 BULAUXGPKRBROA-QHCPKHFHSA-N 437.559 5.651 30 10 IKEE N#Cc1ccc(CSc2nnc(COc3ccccc3Cl)n2-c2ccccc2)cc1 36849975 PPCQPZHZXSLRSC-UHFFFAOYSA-N 432.936 5.664 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(-c4ccccc4)cc1)O3)CN(Cc1ccco1)CO2 41649807 UOIKIARBXOCZQF-YSMPRRRNSA-N 449.506 6.223 30 10 IKEE CC[C@@H](C)c1ccc(N/C(=N/C(=O)c2ccc(OC)c(OC)c2)NCc2ccncc2)cc1 45940375 NZUGZJNIBOSLPW-GOSISDBHSA-N 446.551 5.010 30 10 IKEE Cc1nn(Cc2ccccc2Cl)c(C)c1/C=N/N(Cc1ccccc1)c1ccccc1 59153380 LRCDPKHEQKKADZ-OGLMXYFKSA-N 428.967 6.242 30 10 IKEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(N2CCCCC2=O)cc1 72025289 JCRWVWOMXIUOMD-UHFFFAOYSA-N 425.488 5.428 30 10 IKEE CCCCCCCCCCCCCCCCNC(=S)NC(=O)c1ccc(Cl)cc1 100068150 HAPBDVGIIAZIDQ-UHFFFAOYSA-N 439.109 7.426 30 10 IKEE C=CCOc1ccc2ccccc2c1CNCCCCCCCCCCCCCCCC 100125568 RIOROABUCXYTAG-UHFFFAOYSA-N 437.712 8.976 30 10 IKEE CCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)OCCOCC)cc2)cc1 100265561 LOOSWBHTUYPHPQ-UHFFFAOYSA-N 428.525 5.448 30 10 IKEE C=CCOc1ccccc1/C=C1\S/C(=N/c2nc(-c3ccccc3)cs2)N(CC)C1=O 101130175 XRAZNEOERMRGDB-SYUAUQEVSA-N 447.585 5.999 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)cc(C)c2)cc1 169922455 VLPNJKKMTTZIPU-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE CCCOc1ccc(/C=N\Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1OCC 169941108 QRWNQEYUBGKPSM-OYKKKHCWSA-N 441.553 5.461 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)CCc2ccccc2)=C(O)C(=O)N1c1cccc(C)c1 169941930 RQKPULXYEZBZBX-VWLOTQADSA-N 427.500 5.106 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2cccs2)c1 169983852 VVEQIHHKDNCWFC-HXUWFJFHSA-N 425.456 5.426 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2C)[C@H]1c1ccccn1 169994078 GWQMIFWUNOZMDF-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 170051946 QCRGFZCHLGKVDJ-OAQYLSRUSA-N 448.862 5.340 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@@H]1c1ccccc1 170052464 QPWQOGQXLDDGLT-DEOSSOPVSA-N 431.919 5.750 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccc(F)cc2)c1 170061390 JDYJGACOYOYDLZ-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 170066325 LFTVRFFIPZEPMW-YADARESESA-N 444.531 5.049 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2c[nH]c3ccccc23)ccc1F 170073693 FUPVZKGCCTWQGY-HSZRJFAPSA-N 444.437 5.537 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1c1ccc(F)c(F)c1 170088139 VINBHDQPZALMBC-NRFANRHFSA-N 439.845 5.710 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(C)c2)c1 170148623 ZGYOIQOUSAXIEU-OAQYLSRUSA-N 425.912 5.178 30 10 IKEE COCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(C(C)(C)C)cc1 170149551 SZYSDEFVBOHTAQ-DEOSSOPVSA-N 443.543 5.362 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cccs1 170161651 PLHSFWZFTQPOIS-NYHFZMIOSA-N 431.513 5.163 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccn1)c1cc2cc(Cl)ccc2o1 170169977 KDGWFEBHFHZOQI-NRFANRHFSA-N 448.837 5.403 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccn1 170176274 GSDAGEVXWKOVIP-HXUWFJFHSA-N 439.298 5.480 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccnc2)c1 170189159 FDEOWPTVSXKJPW-JOCHJYFZSA-N 448.906 5.225 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2cccnc2)c1 170190047 ZJEQCDARMHLUEZ-XMMPIXPASA-N 436.467 5.032 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1ccccc1)c1ccc(Cl)c(Cl)c1 170224637 JGGOOYVPYHIAFM-FQEVSTJZSA-N 440.282 5.482 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(OC)c3)[C@H]2c2ccccc2)cc1 170224783 GRZRLHVUXRTIHY-JOCHJYFZSA-N 449.890 5.140 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@@H]1c1ccccc1 170232893 GAGHKADOAITRHT-NRFANRHFSA-N 427.928 5.507 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(Cl)cc2)c1 170237084 DYTOQBYCUHEWTL-FQEVSTJZSA-N 446.330 5.523 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccco2)ccc1OC(C)C 170290222 UDAFOFFKASUXGF-QHCPKHFHSA-N 431.488 5.467 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2ccco2)cc1 170297109 BQRYJUDBZVIUFN-QHCPKHFHSA-N 431.488 5.074 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccc(C)o2)cc1C 170300134 XYMIWQXETJMEPX-XMMPIXPASA-N 445.515 5.695 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@@H]1c1ccc(C)o1 170304082 MRDNWUDTJFXFJD-QFIPXVFZSA-N 447.487 5.005 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2sccc2C)c1 170315108 OKUJLISAGVJTSI-NRFANRHFSA-N 433.529 5.547 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(OCC)c(C)c3)=C(O)C(=O)N2CCC)c1 170323689 JJZKOILNYLCQOC-QHCPKHFHSA-N 437.536 5.171 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)c1 170365421 XQCSKJVELRRLTB-JOCHJYFZSA-N 433.891 5.522 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccncc2)=C(O)C(=O)N1c1ccc(OCC(C)C)cc1 170396980 CWWIBUXXMCXMPW-DEOSSOPVSA-N 442.515 5.208 30 10 IKEE COc1ccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(C(C)C)cc2)cc1OC 170433744 MTURFHJSEVMZIZ-XMMPIXPASA-N 437.536 5.342 30 10 IKEE N#C[C@H](C(=O)c1cc(Br)sc1Br)c1cccc(Cl)c1F 236181102 VWVULAWHUBVZEI-QMMMGPOBSA-N 437.515 5.556 30 10 IKEE CCCOc1ccc(C=N/N=C/c2ccc(OCCC)cc2OCCC)c(OCCC)c1 245284239 QWEXSOKEUZYFCL-UMGWWJHGSA-N 440.584 6.295 30 10 IKEE C=C(C)[C@@H]1CC[C@@]2(C(N)=O)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CCC(=O)C[C@H]5CC[C@@]43C)[C@@H]12 253531386 IIMYCYVBVMITJJ-LYZQDOKNSA-N 425.657 6.062 30 10 IKEE Cc1ccccc1N=Cc1cc(Cc2ccc(O)c(C=Nc3ccccc3C)c2)ccc1O 254379000 IPBJBDFQJSIJGJ-UHFFFAOYSA-N 434.539 6.807 30 10 IKEE O=C(CSc1nc2ccc(N=Cc3ccc(Cl)cc3)cc2s1)NC1CCCCC1 254566079 CMMCSSRRBUPWFC-UHFFFAOYSA-N 444.025 6.241 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccncc2)c1 526488579 PMFBQKZQTYYDRO-XMMPIXPASA-N 425.488 5.189 30 10 IKEE CCc1ccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 526803005 PGGLLRIXIQBORW-VEILYXNESA-N 444.579 5.939 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1ccc(OCC)c(Cl)c1 526804351 OXYGTIDLQSSWBX-OYKKKHCWSA-N 428.989 5.766 30 10 IKEE CCOc1cc(/C=N\n2cnnc2SCc2cc(C)ccc2C)cc(Cl)c1OCC 526818331 DAMAWPKPFPDRPF-ROTLSHHCSA-N 444.988 5.520 30 10 IKEE CC1(C)[C@H]2CC[C@@]1(C)C(=NN=C1NC(=O)/C(=C\c3cccc(Br)c3)S1)C2 575182394 XGBYPXJUPDRINW-IOXCJHSGSA-N 432.387 5.211 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)c3ccc(Cl)s3)C2)c1 586005172 LZJSYKDWNRRROY-SFHVURJKSA-N 446.016 5.274 30 10 IKEE C=C1CC[C@H](OCCN)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)(C)O 605699514 FJYAYOSWWYKSBM-XKAWRJJFSA-N 443.716 6.717 30 10 IKEE in-vitro COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCN(C(=O)OC(C)(C)C)[C@H]1C 698375105 RKSVCOVXIKFLTO-BXKMTCNYSA-N 445.560 5.118 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2cc(Br)ccc2F)cc1 698956911 LJCRBMGTTWVRTH-SFHVURJKSA-N 435.293 5.603 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@H](C#N)c1cc(Br)ccc1F 698967021 PKTJKAAIJKWWCF-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE CCCCCCCCC[C@@H](NC)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 702451408 UJEDKRAWQNHCMJ-RPWUZVMVSA-N 433.681 5.740 30 10 IKEE CCN1C(=O)C[C@H](C(=O)Nc2ccc(C)cc2C)SC1=Nc1ccc(C)c(Cl)c1 1084212209 OMRRAHKGRNEXRB-LJQANCHMSA-N 429.973 5.245 30 10 IKEE C=CCN(CC=C)C(=O)Oc1cccc2c(NC(=O)c3ccc([N+](=O)[O-])cc3)cccc12 1858949737 ROYFIUPTQVPHEC-UHFFFAOYSA-N 431.448 5.173 30 10 IKEE CN(C(=O)Oc1cccc2c(NC(=O)c3cccc(C#N)c3)cccc12)C1CCCCC1 1858954422 MPHVVJJUKRVNPQ-UHFFFAOYSA-N 427.504 5.727 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)c1ccc(OCC(C)C)cc1 1861770958 MWDIKOULBZGYDY-AREMUKBSSA-N 432.649 5.877 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2ccccn2)cc1 1862414711 GUCSJGPVLOCNQP-QHCPKHFHSA-N 448.469 5.262 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccccc1[N+](=O)[O-] 1862419295 QJASWGCPSVAUHF-HXUWFJFHSA-N 444.434 5.032 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@@H]1c1ccc(O)cc1)c1ccccc1Cl 1862430524 MFCRIBVDIXDBHU-JOCHJYFZSA-N 437.923 5.514 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccccc1Cl 1862432280 AWUQZUCADNLNLZ-FQEVSTJZSA-N 432.347 6.152 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C(C)C)cc1OCC 1862483565 FEQRRNSPBXPGCS-QHCPKHFHSA-N 437.536 5.169 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccco2)c1 1862511034 LSWDDEOXDCEJGE-HSZRJFAPSA-N 449.478 5.294 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1c(F)cccc1Cl 1862531492 ORYCCHKIDYGUOE-NRFANRHFSA-N 429.919 5.810 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@@H]2c2ccc(C)cc2)cc1 1862531727 BBMXOZUZNDKDAJ-AREMUKBSSA-N 439.555 5.687 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(OC)c(O)c1 1862532457 XEDDYPSPHDABSZ-HSZRJFAPSA-N 437.536 5.122 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(C(C)(C)C)cc1 1862585475 XFPGBEZCNHPGRP-LJQANCHMSA-N 432.347 5.889 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccccc2C)cc1F 1862638887 MRBYTGSQXFEQGI-QHCPKHFHSA-N 437.511 5.444 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2cccc(Br)c2)cc1 1862670435 SVCOJTPEYRHIOV-HXUWFJFHSA-N 440.337 5.313 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)c1 1862694321 GTHNPAWHPCBNMI-OUPRXKBMSA-N 449.547 5.251 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(F)cc1 1862702516 FIVROGMZYOGYJQ-NFBKMPQASA-N 439.527 5.772 30 10 IKEE CCCCCCCCNC1=C(c2ccc(OCc3ccccc3)cc2)C(=O)N(CCC)C1=O 1863703600 ZRXRPIFRDCHFSW-UHFFFAOYSA-N 448.607 5.706 30 10 IKEE CCCCCCCCn1cc(OCCCC(=O)OCC)c(=O)cc1CN1CCCCCC1 1870367785 AYSPPUOOFMRWLA-UHFFFAOYSA-N 448.648 5.307 30 10 IKEE CCCCCCCOc1cn(CC)c(CN2CCN(c3cccc(Cl)c3)CC2)cc1=O 1870410930 LJCZVEZQKMEKJL-UHFFFAOYSA-N 446.035 5.193 30 10 IKEE C=CCOc1cn(CCc2ccc(F)cc2)c(CNc2ccc(C(C)(C)C)cc2)cc1=O 1870809755 UCMMUNNRLIPSFE-UHFFFAOYSA-N 434.555 5.705 30 10 IKEE Cc1cccc(CN2COc3cc(C)c4c(c3C2)O/C(=C\c2ccc(C(C)C)cc2)C4=O)c1 1871348002 KDLXUDNQRVXGSP-WGARJPEWSA-N 439.555 6.395 30 10 IKEE COc1ccc2c(c1)c(/C=C1\Oc3c(ccc(O)c3CN(C)C3CCCCC3)C1=O)cn2C 1871393384 ITKVZTKDEDLRCD-MXAYSNPKSA-N 446.547 5.273 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCCCc4ccccc4)ccc3C2=O)c(OC)c1OC 1871399534 MTELONMPZHSEQR-JLPGSUDCSA-N 446.499 5.340 30 10 IKEE Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)o2)C3=O)c(C)c1 1871402906 PFCDASFYUXJDPF-VFOSSOBBSA-N 445.515 5.844 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2C)C3=O)c1 1871412263 PXAAIIGIKGGPFR-ILRHRSLTSA-N 427.500 5.634 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(O[C@H](C)C(=O)Nc3cc(Cl)ccc3C)ccc2C1=O 1871413272 CVCKHUPAILAPHL-SAMUYDCASA-N 447.918 5.979 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4c(C)cccc4C(C)C)c3C)C2=O)o1 1871422426 KJOXSTVUZJLYHG-QRVIBDJDSA-N 445.515 5.962 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1cc(C)c2c(c1)O/C(=C\c1ccccc1F)C2=O 1871429298 OQFNWGRUNFETQS-FYYJVHHASA-N 440.511 6.031 30 10 IKEE Cc1cccc(COc2ccc3c(c2C)O/C(=C\c2cc(Cl)cc4c2OCOC4)C3=O)c1 1871455374 OZSPMTIMCABHLV-KSEXSDGBSA-N 448.902 6.019 30 10 IKEE Cc1c(OCC(=O)Nc2ccccc2C(C)C)ccc2c1O/C(=C\c1ccc(F)cc1)C2=O 1871455976 GSGKVYCUMNQHEC-OYKKKHCWSA-N 445.490 5.891 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)c(C)c1)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1871885682 BLEIMBPKWBXBMZ-DEOSSOPVSA-N 442.625 5.150 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(CC)cc1)[C@@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872105796 FPEDILLMRPAKCQ-FDDCHVKYSA-N 446.588 5.008 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 1872458331 MSYXGYXPGAXAGA-OAQYLSRUSA-N 434.989 5.023 30 10 IKEE COc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)c(OC)c1 1872760302 LKIPNADVXCLYFT-OAQYLSRUSA-N 428.513 5.399 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(Oc4ccccc4)c3)n2)cc1C 1872764932 BNAUFHTXIUWPSX-QFIPXVFZSA-N 440.524 6.410 30 10 IKEE Cc1ccc(C)c(-c2csc([C@H](C#N)C(=O)Cc3ccc(Br)cc3)n2)c1 1872771949 GMUPKRLTKCSTHD-GOSISDBHSA-N 425.351 5.608 30 10 IKEE Cc1ccccc1OCCCC(=O)[C@@H](C#N)c1nc(-c2ccc(C(C)(C)C)cc2)cs1 1872773800 YMHRSKMRTUHOMG-OAQYLSRUSA-N 432.589 6.452 30 10 IKEE N#Cc1ccc(NC(=O)c2ccc3nc(CCCOc4ccc5ccccc5c4)[nH]c3c2)cc1 1872804823 MNKMXIXVJJJPAH-UHFFFAOYSA-N 446.510 5.852 30 10 IKEE CCCCCCCCNC(=O)c1ccc(CN2CCN(c3ccccc3OC)CC2)cc1 1872882570 MXIYLIQPEIXWFR-UHFFFAOYSA-N 437.628 5.108 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(C(F)(F)F)cc2)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873276930 VTMVNRRMZHHQLA-UHFFFAOYSA-N 448.444 5.750 30 10 IKEE CCCCCCCCNc1ncnc2c1ccc(=O)n2-c1ccc(Oc2ccccc2)cc1 1873535823 SCCQUNYIPQSQTQ-UHFFFAOYSA-N 442.563 6.345 30 10 IKEE C=CCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1c(F)cccc1Cl 1873685551 ZKVKUPPQHAMMHR-UHFFFAOYSA-N 446.931 5.169 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O 1873937191 ZZXZTUHMXGBJID-XMMPIXPASA-N 449.595 5.143 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874231039 PEMDDJLSHPZUGA-WSDLNYQXSA-N 445.932 5.111 30 10 IKEE C=C(C)CSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1ccc(OCC)cc1 1874261800 SQVODQVMATYGGS-BRJLIKDPSA-N 444.507 5.084 30 10 IKEE CCCSc1nnc(COc2ccc(OC)cc2)n1/N=C/c1cccc2ccccc12 1874294222 RNCWAUJUKPJEEH-PCLIKHOPSA-N 432.549 5.403 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CCc3cccs3)nnc2SC)cc1OCC 1874369483 CFFGMGIKGSXLMT-XQNSMLJCSA-N 444.626 5.307 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1ccc(Br)cc1 1874389128 PCBMYNOYFTWNAC-YDZHTSKRSA-N 441.398 5.490 30 10 IKEE Cc1ccccc1CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1cccc(O)c1 1874392445 MCVAVUNPEWBWRJ-JHKMYFMNSA-N 428.561 5.618 30 10 IKEE CCCOC(=O)CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1ccccc1Cl 1874398056 RTPUAEARHACXGS-GCMSVZMUSA-N 442.972 5.011 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3cccs3)n2/N=C/c2cccc(F)c2)c1 1874412068 ABWGAPSACZFPJL-AFUMVMLFSA-N 436.581 5.861 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCCc3ccccc3)nnc2[C@@H]2CCCO2)cc1 1874446247 WTDSDAZIKAKCSM-GJFYNSNLSA-N 449.624 5.193 30 10 IKEE Clc1ccc(CSc2nnc([C@H]3CCCO3)n2/N=C/c2cccs2)c(Cl)c1 1874450964 OIGHRMUOJPUIAL-PPAWOMOGSA-N 439.393 5.672 30 10 IKEE C(=N/n1c(SCCc2ccccc2)nnc1C1CCCC1)\c1cccc2ccccc12 1874456326 MAVLUVVRWCWBSS-ZXVVBBHZSA-N 426.589 6.306 30 10 IKEE COCCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1ccccc1OC(C)C 1874472804 YESYUTGJJXSNFR-MFKUBSTISA-N 438.597 5.046 30 10 IKEE CCCc1nnc(SCC(=O)N(CCC)CCC)n1/N=C/c1ccc(C(C)(C)C)cc1 1874510064 DTWOCCYFVXHGQN-KOEQRZSOSA-N 443.661 5.151 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCC(=O)NCc3ccco3)ccc3ccccc23)cc1 1874575159 YRGKSMSJFGUWEY-BUHFOSPRSA-N 441.483 5.033 30 10 IKEE O=C(/C=C/c1ccccc1OCc1cccc(Cl)c1)c1cccc(Br)c1 1874575849 JWUQKJUXGVXFKF-VAWYXSNFSA-N 427.725 6.578 30 10 IKEE COC(=O)c1ccc(COc2ccc3ccccc3c2/C=C/C(=O)c2ccccc2OC)o1 1874577170 ZLZJJEDBNFKDGT-BUHFOSPRSA-N 442.467 5.703 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(Br)cc(Br)c1OC 1874581507 QVDSVOXGVDEFPJ-AATRIKPKSA-N 440.131 5.433 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2cccc3ccccc23)cc1F 1874582541 SSKSVSIHTHRSRL-FMIVXFBMSA-N 446.905 7.116 30 10 IKEE O=C(/C=C/c1ccccc1OCc1c(F)cccc1Cl)c1cc(Cl)ccc1Cl 1874591614 UCEHTRPFMJBKOX-DHZHZOJOSA-N 435.709 7.261 30 10 IKEE C=C(C)COc1c(OC)ccc(/C=C/C(=O)c2ccc(CCCC)cc2)c1Br 1874593573 QSMAXJABDLEKRE-WYMLVPIESA-N 443.381 6.651 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc1OCc1ccc(Cl)cc1 1874600773 CGIAQZILBBMYKJ-BJMVGYQFSA-N 443.326 6.486 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Cl)c1OCc1ccccc1Cl 1874608781 HHSLOFCWGBLHKU-ZHACJKMWSA-N 447.745 7.131 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Br)c1OCc1ccccc1C 1874614249 APAOCOCRSSWFRS-OUKQBFOZSA-N 437.333 6.241 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1 1874623568 JMCCFJQMRXFUPL-OBGWFSINSA-N 435.523 6.370 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2F)c(Cl)c1)c1cc(Cl)ccc1Cl 1874637708 NWZBPYASGOVLDM-WEVVVXLNSA-N 435.709 7.261 30 10 IKEE CCCCCCCOc1ccc(C(=O)CCN2CCN(c3ccccc3Cl)CC2)cc1 1874690407 SANFDBNBWSXMCY-UHFFFAOYSA-N 443.031 6.084 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1OC(=O)c1ccco1 1874715532 FLQJBPLOAKZPLR-FNORWQNLSA-N 447.270 5.719 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cc(Br)c(O)c(OCC)c2)c1 1874719340 DMYRSNPNPGIPSI-VQHVLOKHSA-N 435.314 5.247 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2[N+](=O)[O-])cc1 1875087576 AUQRCQGRDWXQCR-XYOKQWHBSA-N 446.415 5.181 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(Br)c1OC(C)=O 1875097815 DNLHFZIEZCLCBE-JXMROGBWSA-N 429.310 5.158 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1 1875100369 ZZVJXOVCAYMAKX-FRKPEAEDSA-N 435.317 6.127 30 10 IKEE CCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2cccc(Br)c2)cc1OC 1875114258 GQFSGYUUHXDHEZ-MDZDMXLPSA-N 433.298 5.068 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccccc1Cl 1875116357 XXTWAQVOOPGUIC-WUXMJOGZSA-N 437.835 5.372 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)[C@H](C)c1ccccc1 1875118448 WWAPJJIQLQJUES-LEHPZIBWSA-N 431.444 5.209 30 10 IKEE CCOc1cccc(C(=O)Oc2c(OC)cc(/C=C/C(=O)c3ccccc3)cc2OC)c1 1875128396 XFMBLYXHTRBSLE-BUHFOSPRSA-N 432.472 5.218 30 10 IKEE COc1ccccc1C(=O)Oc1c(OC)cc(/C=C/C(=O)c2ccc(C)cc2C)cc1OC 1875131729 LGQPPAWLTSGISE-ACCUITESSA-N 446.499 5.445 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)CCOc3ccccc3)c(Cl)c2)c1 1875139719 WWIMVNLBQCSMEB-ZRDIBKRKSA-N 434.919 6.227 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)c1cccc(C)c1 1875160123 BLKNZRPRZZLBNL-RMKNXTFCSA-N 442.845 6.051 30 10 IKEE COCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1[N+](=O)[O-] 1875165075 AIVJAVHCJOOAME-NTUHNPAUSA-N 447.443 5.225 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccncc2)c(Cl)c1 1875193175 WDMCSEGIUVOQSN-GORDUTHDSA-N 428.271 5.512 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1csc(Br)c1Br 1922107503 MLNYOAYQOPTJKJ-MRXNPFEDSA-N 445.220 5.697 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@@]2(C#N)N(C(=O)OC(C)(C)C)C2CCC2)C1 1950304534 HNHFLNCVTFLWEU-ZEQRLZLVSA-N 433.593 5.240 30 10 IKEE CCCCCCC[C@@H]1[C@@H](C(=O)O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21 1952782854 XGMNKVMTAVWSNR-UKILVPOCSA-N 435.564 6.071 30 10 IKEE CC1(C)C[C@@H]([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)N(C(=O)OC(C)(C)C)C1 2033721714 AAEAGXNEOGWXDH-RBUKOAKNSA-N 447.551 5.495 30 10 IKEE C=CCN(CC[C@@H](NC)c1c(Br)ccc(Cl)c1F)C(=O)OC(C)(C)C 2037960062 IRYDYKRNIVSTAD-CQSZACIVSA-N 435.765 5.315 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCN(Cc3ccccc3)CC2)cc1 2042390205 DAWMQRFRIZHOEF-AREMUKBSSA-N 435.568 5.385 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C(C)(C)C1 2065979905 UDKFNFYEFJIIJP-DEOSSOPVSA-N 447.551 5.497 30 10 IKEE CCOC(=O)c1c(C2CCC2)nn(Cc2ccc(C(F)(F)F)c(F)c2)c1C(F)(F)F 2079061094 RULULGBQWGYBRI-UHFFFAOYSA-N 438.343 5.552 30 10 IKEE CC(C)c1ccc([C@@H](C2CC2)n2nc(C3(C)CC3)c(C#N)c2I)cc1 2079953683 CFXJFKVOZNELEV-SFHVURJKSA-N 445.348 5.534 30 10 IKEE CC(C)[C@@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)F)c(C#N)c1Br 2079977746 QLXPUHQHGFKCAU-ZDUSSCGKSA-N 440.185 5.858 30 10 IKEE CCC[C@]1(CNc2ccc(C#N)c(Br)c2)CCCCN1C(=O)OC(C)(C)C 2162411513 WWVVPQLUDCCYTE-OAQYLSRUSA-N 436.394 5.693 30 10 IKEE C[C@H]1Cc2ccccc2[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2185484348 FTBWVKCLBBEBOO-NYHFZMIOSA-N 427.342 5.802 30 10 IKEE CC(C)(C)OC(=O)NCC1([C@@H](O)C#Cc2ccccc2Br)CCCCCC1 2235741380 TZJMZVZYDRJXSI-IBGZPJMESA-N 436.390 5.027 30 10 IKEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc([C@@H](O)C#Cc2ccccc2Br)cc1 2235742278 XIUIYIHKTRNLEW-QRWLVFNGSA-N 430.342 5.120 30 10 IKEE C#CCCCCC[C@H](NC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237427444 YPHAOOJKSBNEFZ-VQTJNVASSA-N 437.422 5.057 30 10 IKEE CC(C)(C)OC(=O)N1CCCC(C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)CCC1 2241594173 PCTLHLOTFVRCNM-UHFFFAOYSA-N 443.588 5.497 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1cc(Br)cc(C(C)C)c1 2266000966 OYBPDRDAIINKQO-MOPGFXCFSA-N 425.411 5.693 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@H](O)c1cc(Br)cc(C(C)C)c1 2280661020 PHYDTYVYDFQRTA-PKTZIBPZSA-N 432.402 5.357 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1c(F)cccc1Br)NCCC 2289742216 ZGUUCAHLKDWZJZ-RBUKOAKNSA-N 443.401 5.358 30 10 IKEE COc1ccc(C(=O)C=Cc2cccs2)c(OC(=O)c2ccc(Br)cc2)c1 2295979416 IHNXHIQAMLENNP-UHFFFAOYSA-N 443.318 5.635 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)CCCCCCNC(=O)OC(C)(C)C 2296308149 DPCDAHSEIGUXCY-HXUWFJFHSA-N 437.422 5.254 30 10 IKEE C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC(=Cc1ccc(OC(F)F)cc1)C2=O 2297736517 PXDOMWMSMCFAEF-AJGWJXQCSA-N 444.562 6.254 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2302796357 RDKWVHQCROMTEM-KVSKMBFKSA-N 433.524 5.153 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1[C@H](C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 2304178421 BJFBZIRKRHTPHK-ROUUACIJSA-N 447.601 5.167 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1 2314477396 GKCPVUBWGGFHAZ-RUZDIDTESA-N 443.499 5.247 30 10 IKEE CCCCCOc1ccc(C=Nn2c(CCC)nnc2SCc2ccc(C)cc2)cc1 2318574581 NYDJYASIOIFZIO-UHFFFAOYSA-N 436.625 6.283 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3c(ccc4c3CN(C3CCCCC3)CO4)C1=O)cn2C 2322016378 PZGLOFZYEVCWDG-UHFFFAOYSA-N 444.531 5.288 30 10 IKEE CCCCC[C@@H](CC)N1COc2cc(C)c3c(c2C1)OC(=Cc1ccccc1OCC)C3=O 2322075878 TUNYUNFSLLKROX-OAQYLSRUSA-N 449.591 6.521 30 10 IKEE COc1cccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN([C@@H](C)c2ccccc2)C4)c1 2322092400 XTNKOWXBMVTCEP-SFHVURJKSA-N 427.500 5.533 30 10 IKEE O=C(C=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)CCCC2 2322328565 VRCAKYZIKROLDV-UHFFFAOYSA-N 437.366 7.347 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc3c(c2)CCCC3)c1OCc1ccccc1 2322334344 DOTFIMUZVXRPAV-UHFFFAOYSA-N 432.947 6.703 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)OCC(C)C)cc1 2322399204 OJVDEYWRVCWPMT-UHFFFAOYSA-N 428.956 6.157 30 10 IKEE Cc1cc(OC(=O)Cc2ccc(Cl)cc2)cc2c1C(=O)C(=CC=Cc1ccccc1)O2 2322901036 KSFSGOCJZXSQSS-UHFFFAOYSA-N 430.887 5.969 30 10 IKEE CC(C)=C1Oc2cc(OC(=O)C=Cc3ccc(OCc4ccccc4)cc3)ccc2C1=O 2323013021 RQLJJWHFDMEOJQ-UHFFFAOYSA-N 426.468 5.753 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2Cl)cc1OCC(=O)Nc1cc(C)cc(C)c1 2323087563 IHTMDBZNLYWUCQ-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE Cc1c(OC(=O)CCc2ccc(Cl)cc2)ccc2c1OC(=Cc1ccc(F)cc1)C2=O 2323106090 GSIWHQDQENBDGT-UHFFFAOYSA-N 436.866 5.942 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OCc1ccccc1F 2323419872 NFMZUVBODATWNM-UHFFFAOYSA-N 446.518 6.197 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)C=Cc4cccc([N+](=O)[O-])c4)ccc3C2=O)c1 2323433667 ZXWYNOUVBSPQEL-UHFFFAOYSA-N 427.412 5.138 30 10 IKEE Cc1cc(OC(=O)CC2CCCCC2)cc2c1C(=O)C(=Cc1cn(C)c3ccccc13)O2 2323485555 XKWPBHMKAGAJBZ-UHFFFAOYSA-N 429.516 5.979 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3F)c(OC)c2)cc1 2323485587 BWKHYBSPYQMETD-UHFFFAOYSA-N 433.479 5.310 30 10 IKEE CC(C)(C)c1cc(C=Nn2c(S)nnc2Cc2cccs2)cc(C(C)(C)C)c1O 2323556988 NRHOXWWUJOIKFR-UHFFFAOYSA-N 428.627 5.402 30 10 IKEE C=C(C)COc1c(Br)cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 2323680829 RFANPXLHFXIWLE-UHFFFAOYSA-N 432.270 5.217 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(OC)c(OCc2cccc(Cl)c2)c(OC)c1 2323700895 PTVAJWCEXYZITO-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(Cl)c(OC)c(OCC)c2)cc1OCCC 2323745891 MGHNTKOKBNQUTG-UHFFFAOYSA-N 432.944 6.221 30 10 IKEE CC(C)COc1c(Cl)cc(C=NNc2nc(-c3cccs3)cs2)cc1Cl 2323870821 WODIHIKTHHVUDE-UHFFFAOYSA-N 426.394 6.659 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)OCC(C)C)c(Br)c2)cc1 2323900622 OWFRSVOZCYKIFU-UHFFFAOYSA-N 431.326 5.232 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OCc1ccccc1C 2324058888 RLIGEFYKYLFIJT-UHFFFAOYSA-N 444.571 6.785 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Cl)c1OCc1cccc(C)c1 2324244986 KSDCTEGCMUYKGI-UHFFFAOYSA-N 442.889 6.800 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)cc1 2324478184 DNTQSAWEQHZJGY-QGZVFWFLSA-N 445.490 5.719 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCCCOc4cccc(C)c4)ccc3C2=O)cc1 2324561480 VYIWWYLSAXPDBR-UHFFFAOYSA-N 430.500 5.858 30 10 IKEE C[C@@H]1C[C@@](C#N)(Cc2ccc(I)c(Br)c2)CCS1 2325257515 YJKRCLKPXKEHFA-QMTHXVAHSA-N 436.156 5.022 30 10 IKEE C(=Nn1c(Cc2ccccc2)nnc1SCc1cccc2ccccc12)c1cccs1 2325490832 RMJNCHHGHGEGKT-UHFFFAOYSA-N 440.597 6.258 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(C=CC(=O)c3ccc(OC)c(C)c3)ccc2OC)c1 2325713920 LMBUOPORHNEJAM-UHFFFAOYSA-N 446.499 5.526 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(F)cc3F)c2)cc1C 2325713960 RNVRMCLLCDFIMQ-UHFFFAOYSA-N 438.426 5.406 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccc(C)cc3)cc(C)c2C1=O 2325716016 WQZCAAGBDUAAHC-UHFFFAOYSA-N 443.499 5.336 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2F)C3=O)cc1C 2325738666 SMMXOTATZXBMDS-UHFFFAOYSA-N 431.463 5.385 30 10 IKEE COc1ccc(C(=O)Oc2cccc(C=CC(=O)c3cc(C)cc(C)c3OC)c2)cc1OC 2325757541 GOFIQEPNFFLGNY-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE CSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1N=Cc1ccccc1Cl 2325838800 JZQBIHCJUVCUAW-UHFFFAOYSA-N 443.016 5.845 30 10 IKEE CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1ccccc1Cl 2325904257 HSJSVECKAHJZCH-UHFFFAOYSA-N 443.016 6.111 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1cccc(OC)c1 2325909854 CEDYPNZDCKSENA-UHFFFAOYSA-N 449.363 5.333 30 10 IKEE COc1ccc(OC)c(C=Nn2c(C)nnc2SCc2ccc(Cl)cc2Cl)c1 2326701682 CLEYFKFDIWIDAM-UHFFFAOYSA-N 437.352 5.085 30 10 IKEE CCCSc1nnc(COc2c(C)cccc2C)n1N=Cc1cc(Cl)ccc1O 2328559489 AZMHFKAWIGGJQL-UHFFFAOYSA-N 430.961 5.217 30 10 IKEE Cc1ccccc1C=Nn1c(COc2cccc(C)c2C)nnc1SCc1ccccc1 2328846886 LQTIABUHSZEMFO-UHFFFAOYSA-N 442.588 5.957 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cccnc1 2330128731 IWNVZUIXJUGFKV-KRWDZBQOSA-N 433.968 5.653 30 10 IKEE O=[N+]([O-])c1ccccc1C=Nn1c(SCc2ccccc2Cl)nnc1-c1ccccc1 2330674731 TWMIUFKXGYOSIS-UHFFFAOYSA-N 449.923 5.681 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccs2)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 2330689917 FUXPBCQTTVBVAH-UHFFFAOYSA-N 433.485 5.650 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1Cl)c1ccncc1 2330807559 BJTGMNKLNJQMQZ-UHFFFAOYSA-N 432.690 6.157 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@H]2C[C@H]2c2ccccc2Cl)cc1)c1ccc([N+](=O)[O-])cc1 2331018207 KCGVDUNVMJZUHN-VXKWHMMOSA-N 447.874 5.853 30 10 IKEE COc1ccc(OC)c(C=Nn2c(SCc3ccc(C)cc3)nnc2C2CCCC2)c1 2331018320 LCUNABINEXCMBG-UHFFFAOYSA-N 436.581 5.436 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 2331030849 CWNWHIXRJURXAT-UHFFFAOYSA-N 426.425 5.275 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1Cl 2331142903 PCHJGXXPBZKCLQ-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccn2)c(Cl)c1)c1ccc(Cl)c(Cl)c1 2331242343 QFWBZPQTGVSFRP-UHFFFAOYSA-N 432.690 6.157 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(OC)ccc2OC)ccc1OC(=O)Cc1ccccc1 2331391818 JFUVMQUUAIHVDX-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE CC(C)(C)c1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(C(=O)O)cc1 2331416326 BLADWLMTCZWGLC-UHFFFAOYSA-N 446.935 5.241 30 10 IKEE COc1ccc(C=Nn2c(CC(C)C)nnc2SCc2c(F)cccc2Cl)cc1O 2331474383 CFCGFLJWAKSVIL-UHFFFAOYSA-N 448.951 5.158 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(C2CCC2)n1N=Cc1cccc(C)c1 2331491701 DTJOWJVPDNMWBJ-UHFFFAOYSA-N 433.581 5.029 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)Cc1ccccc1 2331492809 RFVLAUMUUNXJEO-UHFFFAOYSA-N 444.527 5.871 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1OC(=O)c1ccccc1 2331640710 RVHJKHPBFIVBEH-UHFFFAOYSA-N 448.946 6.698 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(N(C)C)cc1 2331708703 MDXBZPPTKOHJRZ-UHFFFAOYSA-N 448.423 5.949 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)c1cnccn1 2331802545 PYLOKZQRVWCXBS-UHFFFAOYSA-N 430.504 5.206 30 10 IKEE N#Cc1ccc(OCc2cc(Br)cc(Br)c2)cc1Br 2337066059 PZVWZOYYLAIZMK-UHFFFAOYSA-N 445.936 5.425 30 10 IKEE CC#CCN(C[C@H](NCC)c1cc(Br)cc(C(C)C)c1)C(=O)OC(C)(C)C 2363125163 SUTLUYWLLXISOZ-FQEVSTJZSA-N 437.422 5.484 30 10 IKEE CO[C@@H](C#CC(=O)c1ccc(Br)cc1NC(=O)OC(C)(C)C)C1CCCC1 2369620917 ICXFYVZDEXUZSR-IBGZPJMESA-N 436.346 5.187 30 10 IKEE CCCCCC[C@H](C)OCc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1 2377331091 UHZCCPCCQVMFOM-INIZCTEOSA-N 425.216 5.624 30 10 IKEE C[C@H](OC(=O)c1cc(=O)c2ccccc2o1)/C(O)=N/c1cc(C(F)(F)F)ccc1Cl 9664443 WVEJVDMIKKIIBA-JTQLQIEISA-N 439.773 5.299 30 10 IKEE CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1Cl 9861335 LYAHDSCFKXKAOR-JOCHJYFZSA-N 429.347 6.156 30 10 IKEE COc1ccc(-c2cc(-c3ccc(C)cc3)c(C#N)c(N)c2C(=O)c2ccc(C)cc2)cc1 15773364 ZZMPHQMUUPGYCX-UHFFFAOYSA-N 432.523 6.331 30 10 IKEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c(OC)ccc3ccccc13)N2 20718951 XRCGKSRTXIDTJE-YPCDYVTLSA-N 446.572 5.139 30 10 IKEE COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2)c1 21238209 SKIMPLFTDAXXHF-DNOBIOAJSA-N 426.516 5.683 30 10 IKEE COc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(SC)cc1 21240289 OJWAGNAQTDWKRM-CLYVBNDRSA-N 442.584 6.397 30 10 IKEE CCn1nc(C)c(CN/C(=N/C(=O)c2ccc(C)c(C)c2)Nc2cc(C)ccc2C)c1C 32971759 SCQYUNJKVADRGD-UHFFFAOYSA-N 431.584 5.152 30 10 IKEE CCOc1ccccc1/C=C\C(=O)c1ccc(OC(=O)c2ccc(C(C)(C)C)cc2)cc1 34954116 GMLVSDPHYLZELV-RGEXLXHISA-N 428.528 6.498 30 10 IKEE C=CCOc1cccc2c1cc(C(=O)NCCc1ccccc1)n2Cc1cccc(Cl)c1 35908446 WGMKQHUYAQIECG-UHFFFAOYSA-N 444.962 5.880 30 10 IKEE C=CCC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C(C)C 36306400 SJNVBXUYOABITK-QHCPKHFHSA-N 433.596 5.725 30 10 IKEE CC[C@H](Sc1cc(-c2ccccc2)ncn1)C(=O)Nc1sc2c(c1C#N)CCCC2 40171558 WQXYNOGPLMTHEH-IBGZPJMESA-N 434.590 5.465 30 10 IKEE C=CCc1ccc(OCCn2c([C@@H](C)Oc3ccccc3)nc3ccccc32)c(OC)c1 40236170 CDPJDSXPPTUXQM-HXUWFJFHSA-N 428.532 5.992 30 10 IKEE C=CCc1ccccc1OCCn1c(CNC(=O)c2ccc(C)cc2C)nc2ccccc21 40276302 JSSNWACFKVSVKY-UHFFFAOYSA-N 439.559 5.391 30 10 IKEE Cc1cc(OC(=O)c2cc3ccccc3o2)cc2c1C(=O)/C(=C/c1ccc3c(c1)OCO3)O2 41352618 CTADAVDLQHDWKB-YVNNLAQVSA-N 440.407 5.305 30 10 IKEE CCCCCCCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccc(OC)c1 101286285 YFKFCZWLMGYMRR-VWLOTQADSA-N 447.579 6.238 30 10 IKEE CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C 111912239 PPBXJBDOPMSPTL-UHFFFAOYSA-N 446.672 8.138 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2ccc(Cl)cc2)c1 169969609 SUOOZWHKOFTCJQ-HSZRJFAPSA-N 442.902 5.913 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2cccc(C)c2)cc1C 169971017 PHJOLGSPZCFGRQ-XMMPIXPASA-N 443.499 5.109 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(F)ccc2F)c1 169971711 ZJDKMUDNTISCJR-NRFANRHFSA-N 439.845 5.710 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(OC(C)C)cc1 169978919 UCYNDHKDDIXJTM-QHCPKHFHSA-N 437.536 5.251 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2cccs2)ccc1F 169983002 VYKXWRDXKAFOSM-JOCHJYFZSA-N 435.520 6.102 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCCC2)cc1 170031688 KPKCOCSDIHDISK-DEOSSOPVSA-N 433.548 5.613 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 170068050 VLKKHKDIOPQLBB-RUZDIDTESA-N 440.543 5.546 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(Cl)cc2)=C(N2C[C@H](C)C[C@@H](C)C2)C1=O 170069799 BOLDTLSBTJCNGR-RTBURBONSA-N 431.020 5.758 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc(F)cc2)=C(O)C(=O)N1c1ccc(Cl)cc1 170106618 IZDJCDNUBVFLLH-SFHVURJKSA-N 427.884 5.632 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccc(O)cc2)c1 170132131 FVDUGLMRJZNIMW-RUZDIDTESA-N 435.479 5.637 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccc(C)c2)c1 170140838 BZAKNLRRADGVMK-DEOSSOPVSA-N 427.500 5.485 30 10 IKEE Cc1ccc(-c2csc(C3=C(N)N(c4cccc5c(O)cccc45)CC3=O)n2)cc1C 170181477 SYORKIXFBDVJFL-UHFFFAOYSA-N 427.529 5.002 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1c1ccccc1O 170271903 OFQOUBZPONJIJQ-RUZDIDTESA-N 435.479 5.637 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2sccc2C)c1 170316806 HUCQOXXFEICALN-NRFANRHFSA-N 448.544 5.019 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1cccc2ccccc12)c1ccccc1 170370453 PGVOVBGNZNNLPT-XMMPIXPASA-N 439.898 6.276 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1cccc(O)c1)c1cccs1 170387513 MJPJTHZNKOFQRW-GOSISDBHSA-N 445.418 5.255 30 10 IKEE CCCCCCCC[C@@H](O)c1cc(I)ccc1Br 232934790 ZQNSXXQUBCXLFC-OAHLLOKOSA-N 425.148 5.838 30 10 IKEE CCOc1ccc2ccccc2c1/C=C1/SC(=Nc2ccc(C(=O)O)cc2)N(C)C1=O 252602203 FGIRRACNEFJGLH-ZOQGDPGVSA-N 432.501 5.171 30 10 IKEE CCN(CC)c1ccc2c(NCc3ccccc3)c(C=Nc3ccccc3)c(=O)oc2c1 254692858 ZQVKAICQYCLGIO-UHFFFAOYSA-N 425.532 6.002 30 10 IKEE CN1/C(=C2\SC(=Nc3ccccc3)N(c3ccc(F)cc3)C2=O)Sc2ccccc21 254761678 WBJIULCREAZTCY-CVJJEBQVSA-N 433.533 6.004 30 10 IKEE Cc1[nH]c2ccccc2c1/C=C1/SC(=Nc2ccccc2)N([C@H](C)c2ccccc2)C1=O 254826834 OUHSPJKTHNYAMN-LFNZKUJBSA-N 437.568 6.842 30 10 IKEE Cc1ccc(N=C(c2ccccc2)N(SC(Cl)(Cl)Cl)c2ccc(C)cc2)cc1 254911819 PULWFASZCSVMOK-UHFFFAOYSA-N 449.834 7.864 30 10 IKEE C=C(CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]1CC[C@H]1[C@H]2CC[C@@H]2C(C)(C)[C@H](O)CC[C@]12C 263619261 XTMCMWDQTSZMIH-FFGGRVHLSA-N 446.716 6.111 30 10 IKEE COc1ccc(N=C2S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2ccccc2)cc1 263631724 OAJMJRWJQMVKLI-SEYIQKDNSA-N 445.569 5.874 30 10 IKEE O=C(OCc1ccccc1)N1C[C@@H](CS)[C@H](c2ccc(Cl)cc2Br)C1 382691537 IPTPYPVVJLECAK-WMLDXEAASA-N 440.790 5.385 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(OC(C)C)cc2)c1 526487822 AEDQISQSUFNGSB-RUZDIDTESA-N 440.499 5.411 30 10 IKEE CC(C)Oc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccccc2)cc1 526800880 ZJUBWPJXNQZGDO-IMRQLAEWSA-N 442.588 5.831 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccc(C(=O)O)cc1 526817904 GKSMRRUBZJMWKA-MSXFZWOLSA-N 446.935 5.286 30 10 IKEE C(=N\n1c(CCc2ccccc2)nnc1SCc1cccc2ccccc12)\c1ccncc1 526821614 BLCNKCSVTYJDTO-CEUNXORHSA-N 449.583 5.786 30 10 IKEE Cc1cc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccccc2)ccc1Br 586198104 WKWQEWKCTLIIKZ-UHFFFAOYSA-N 441.350 5.025 30 10 IKEE C=CCN(CC=C)C(=O)Nc1ccc(C(=O)Nc2nc(-c3ccc(CC)cc3)cs2)cc1 586683394 VZXLMDPLWIPZDB-UHFFFAOYSA-N 446.576 5.831 30 10 IKEE CCC(C)(C)c1ccc(Oc2ccc(N=C/C=C3/N(C)c4ccccc4C3(C)C)cc2)cc1 606347718 QJFBBUIYMIBCDH-FZCCLYRRSA-N 438.615 8.180 30 10 IKEE N#C[C@]12C=C3CCCC(/C=N\C4CCCCC4)=C3NC1=C(/C=N\C1CCCCC1)CCC2 606631455 VWPBVELXCJQXGP-OJJWBHMISA-N 430.640 6.709 30 10 IKEE C#CCCCCC(=O)Nc1c(Br)cc(Br)cc1Br 692892139 NNOUWEIZMBDCDO-UHFFFAOYSA-N 437.957 5.106 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@](C)(C#N)[C@@H]1CC2CCC1CC2 698442082 DBBMUMSCABCDFA-DKYBNIBQSA-N 433.390 6.299 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCOc2ccccc21 698455003 ANBULMWBRYRUAD-OAQYLSRUSA-N 429.314 5.392 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@H](C#N)c1cc(Br)ccc1F 698867524 RGPMNINBSDOCIN-INIZCTEOSA-N 425.323 5.652 30 10 IKEE CC(/C=C\c1ccccc1)=NNc1nc(SCc2cccc(Br)c2)n[nH]1 1084196963 KNDJXDIWHGMRCW-YYMLWDJOSA-N 428.359 5.361 30 10 IKEE COC(=O)c1ccc(C=NNc2nc(-c3ccc(C)cc3C)c(-c3ccccc3)s2)cc1 1084199342 WPTJLLVYNJJUJE-UHFFFAOYSA-N 441.556 6.327 30 10 IKEE Cc1ccc(CSc2nc3ccc(N=Cc4c(O)ccc5ccccc45)cc3s2)cc1 1084240485 PZRAFCLFQZJNIB-UHFFFAOYSA-N 440.593 7.506 30 10 IKEE Cc1ccccc1/C=N\N=C1/S/C(=C\c2ccc(N(C)C)cc2)C(=O)N1Cc1ccco1 1554646462 MKTRHMGNFZSGSC-CZBWFEOZSA-N 444.560 5.161 30 10 IKEE CC(C)NC(=O)[C@@]12CC[C@@](C)(C(=NOC(=O)c3ccc(Cl)cc3Cl)C1)C2(C)C 1772722480 HJLDNTZXEMFZAF-LEWJYISDSA-N 425.356 5.247 30 10 IKEE CN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=Nc1cccnc1Cl 1772736645 MFCUCRCXDDODQD-BPHBXOPHSA-N 440.868 5.137 30 10 IKEE O=C(O)c1cccc(N=C2S/C(=C/c3c[nH]c4ccccc34)C(=O)N2c2ccccc2)c1 1772738612 WRZZIBCIMQEXDM-KFEXUMGBSA-N 439.496 5.675 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccccc1C 1861036248 YPMDIQRZUYPTCO-VWLOTQADSA-N 440.603 5.732 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccccc1F 1861468051 IMHDGZHPOJPURQ-XMMPIXPASA-N 444.566 5.563 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)COc1ccc(Cl)c(C)c1 1861639565 SBMRBRKPBJACDI-OAQYLSRUSA-N 425.013 5.179 30 10 IKEE CCCCCCCCNC(=O)[C@H]1CCCN1C(=O)c1ccc(OCCCC)c(OCC)c1 1861748323 DRLGGJBLUDXOJG-JOCHJYFZSA-N 446.632 5.346 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(OC)c(F)c2)n(-c2cccc3ccccc23)n1 1862368238 JDIRIZLDJIKKJA-UHFFFAOYSA-N 441.506 5.654 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2cccc(Cl)c2)cc1 1862392048 OUBJJYYNLGSTBP-JOCHJYFZSA-N 425.956 5.917 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2cccc3ccccc23)cc1 1862397785 SCVHOFIYYOKXCQ-BVZFJXPGSA-N 443.543 5.142 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccc(C)cc2)cc1C 1862401277 XPHOAUMAGZTABU-XMMPIXPASA-N 445.490 5.230 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1C 1862407678 UCNWRODAWFIUJB-DEOSSOPVSA-N 435.564 5.751 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccccc2)cc1 1862441426 IBXKKKOBWVLJNX-BXKMTCNYSA-N 445.946 6.242 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1Br 1862487818 KCFFKMXEJQWPGW-KUHUBIRLSA-N 428.326 5.134 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccccc2C)cc1 1862489418 BGYHRLDUIVUKHZ-AREMUKBSSA-N 439.555 5.741 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2Cl)c1 1862490827 DZNKOLPRDXFIAU-QFIPXVFZSA-N 432.907 5.130 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc3ccccc23)cc1 1862531629 RBXIHGHOAMTEQD-RUZDIDTESA-N 425.528 5.923 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccccc2C)cc1 1862532222 GETHTFVBBWKGQW-RUZDIDTESA-N 431.576 6.249 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2[C@H](C)CC)c1 1862550106 CTVQSUYRDPCDHZ-IQGLISFBSA-N 447.575 5.731 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862595943 BLRDDVLJCHSFSV-IBGZPJMESA-N 433.426 5.035 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCCCCO)cc1 1862613438 ICINWMPDUJUMPN-HSZRJFAPSA-N 435.564 5.033 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862619067 MVBZMLFAYWPYFJ-HXOBKFHXSA-N 435.564 5.760 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCC(C)C)cc1 1862638045 RZSZQXFPZYTZJL-QFIPXVFZSA-N 425.500 5.021 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(N(C)C)cc1 1862650838 FHKAGOLTVBNJKH-BXKMTCNYSA-N 428.532 5.283 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(CC)cc1 1862674624 ZNBHVJJJAYZMTP-ISKFKSNPSA-N 437.555 6.325 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1ccc(F)cc1F)c1ccc(-c2ccccc2)cc1 1862725859 TUTIEUNQUQUOEG-QHCPKHFHSA-N 431.438 5.373 30 10 IKEE N#Cc1ccccc1NC1=C(c2ccc(Cl)cc2)C(=O)N(CCC2=CCCCC2)C1=O 1863180011 QAFXFDVXGVCYIS-UHFFFAOYSA-N 431.923 5.294 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2cccc3ccccc23)C1=O 1863226496 YLKNRCNHDFPTPY-KOSHJBKYSA-N 435.527 5.482 30 10 IKEE CCc1nc2c(Cl)cccc2c(C(=O)Nc2c(C#N)cnn2-c2ccccc2F)c1C 1866276508 MJLMPKNTFMGTMZ-UHFFFAOYSA-N 433.874 5.208 30 10 IKEE COc1cccc(-c2nc(Nc3ccc(C#N)cc3)cc(N3CC[C@@H](c4ccco4)C3)n2)c1 1868516095 MSCPGFBBNYLCKE-HXUWFJFHSA-N 437.503 5.354 30 10 IKEE C=CCN(CC=C)c1nc(=NC(=O)c2ccc(C(C)(C)C)cc2)n(-c2cccc(Cl)c2)[nH]1 1870002191 FGUMKERNWHKMNT-UHFFFAOYSA-N 449.986 5.071 30 10 IKEE N#Cc1nnn(-c2ccc(Nc3ccccc3)cc2)c1NC(=O)/C=C\c1ccc(Cl)cc1 1870140884 ORMSHFJVDRECHD-NVNXTCNLSA-N 440.894 5.188 30 10 IKEE C=CCn1cc(OCCCCOc2ccc(C)cc2)c(=O)cc1CN(C)Cc1ccccc1 1870320924 XHXUTTMWBKUIMC-UHFFFAOYSA-N 446.591 5.213 30 10 IKEE CCCCCCCCn1cc(OCC2CCCCC2)c(=O)cc1CN(CCC)CCC 1870482625 BAEISDPMXWUKGA-UHFFFAOYSA-N 432.693 6.790 30 10 IKEE CCCCCCCCCCn1cc(OCCO)c(=O)cc1CNc1cc(Cl)ccc1C 1870791768 LNPOBCVTOOWJDM-UHFFFAOYSA-N 449.035 5.934 30 10 IKEE C=CCn1cc(OCc2cccc(F)c2)c(=O)cc1CNc1cccc(Br)c1 1871062882 QLFANRLNWPRDRX-UHFFFAOYSA-N 443.316 5.127 30 10 IKEE C=CCn1cc(OCc2ccccc2Cl)c(=O)cc1CNc1ccc(C(F)(F)F)cc1 1871241922 GQMUFYCSVLHITP-UHFFFAOYSA-N 448.872 5.898 30 10 IKEE Cc1cccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2Cc2ccco2)c1C 1871254342 SIEHODSVESIAJU-UHFFFAOYSA-N 439.515 5.169 30 10 IKEE Cc1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871366372 BLHMXZASMUKTNG-FDTILGBMSA-N 430.887 6.192 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc(C)c3C2=O)c1 1871377219 AEGVQPUTSYISOD-UVZQVUELSA-N 441.439 5.447 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2)C3=O)cc1 1871450071 AHXGVFNJSRRCGM-NAHYFOQLSA-N 441.527 6.142 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1)S(=O)(=O)c1cc(C)ccc1C 1871767894 JQDATPHJBSPPEY-RUZDIDTESA-N 448.588 5.169 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(C)cc1)[C@@H](C)CC)S(=O)(=O)c1c(C)cc(C)cc1C 1871775678 GBHPHRXRIWODGW-WMZHIEFXSA-N 442.625 5.150 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1cccc(F)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1871973405 UPMWTRIVSYZQSJ-QFIPXVFZSA-N 446.588 5.125 30 10 IKEE C=C(C)CN([C@@H](CC)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1ccc(C)cc1 1872221739 RVEGOLCSVPDJJX-QHCPKHFHSA-N 442.625 5.277 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(Cl)cc3Cl)n2)cc1C 1872764916 AZKJTVIYQSAFFL-PFWMLDTASA-N 443.355 6.324 30 10 IKEE COc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3cccc(Cl)c3)cs2)cc1 1872767073 SCOVSRRQEKEZJL-LJQANCHMSA-N 426.925 5.508 30 10 IKEE Cc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c(C)c1 1872768947 FZAWAGDFJKIZKT-OAHLLOKOSA-N 431.344 5.989 30 10 IKEE CC(C)c1ccc(-c2csc([C@@H](C#N)C(=O)Cc3cc(Cl)ccc3Cl)n2)cc1 1872774996 IGCSSHFAAGDZBZ-SFHVURJKSA-N 429.372 6.659 30 10 IKEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc1C 1872783920 LNTXFVTWODFCOX-IBGZPJMESA-N 446.532 5.425 30 10 IKEE N#Cc1ccc(NC(=O)c2ccc3nc(Cc4ccc(Br)cc4)[nH]c3c2)cc1 1872804941 SALZMBIVDSCHPL-UHFFFAOYSA-N 431.293 5.040 30 10 IKEE C=CCN1C(=O)C(Nc2cc(Cl)c(Cl)cc2Cl)=C(c2ccc(F)cc2)C1=O 1873353164 YGVFZABYKHGQTK-UHFFFAOYSA-N 425.674 5.164 30 10 IKEE CCCCCCCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 1873886142 IRSOKDFFYSMYIW-VWLOTQADSA-N 438.656 6.348 30 10 IKEE CCCSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1cccn1C 1874198663 MIJGPFUYACHDKM-XIEYBQDHSA-N 433.581 5.166 30 10 IKEE Cc1ccccc1/C=N/n1c(CCc2ccccc2Cl)nnc1SCc1ccccc1 1874279073 RRPGQAUYPNMJIA-WPWMEQJKSA-N 447.007 6.200 30 10 IKEE Fc1ccc(CSc2nnc(CCc3ccc(Cl)cc3)n2/N=C/c2ccc[nH]2)cc1 1874280969 KTUDVXSBLHTLKJ-VULFUBBASA-N 439.947 5.358 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2ccccc2)n1/N=C/c1ccccc1 1874300927 ZQUFYFYSBFHIPE-WGOQTCKBSA-N 428.561 5.648 30 10 IKEE Cc1cccc(CSc2nnc(COc3cccc(C)c3C)n2/N=C/c2ccncc2)c1 1874321967 UGGCDNKRJNQXKS-JFLMPSFJSA-N 443.576 5.352 30 10 IKEE Cc1cccc(/C=N/n2c(Cc3ccc(Cl)cc3)nnc2SCc2ccccc2)c1 1874342281 IPXMNYSEEYCJKB-WGOQTCKBSA-N 432.980 6.005 30 10 IKEE CCSc1nnc(CCc2ccccc2C)n1/N=C/c1c(OC)ccc2ccccc12 1874363119 NYEJZNVZCGTIAA-YZSQISJMSA-N 430.577 5.528 30 10 IKEE Cc1ccc(/C=N/n2c(COc3ccccc3)nnc2SCc2ccccc2Cl)cc1 1874384440 PCBXWSOHZBDOLG-CVKSISIWSA-N 448.979 5.993 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)cc3)n2/N=C/c2ccccc2O)cc1 1874387687 ZRGNZDGNDDODAS-WGOQTCKBSA-N 428.561 5.366 30 10 IKEE Cc1ccc(CSc2nnc([C@H](C)c3ccccc3)n2/N=C/c2ccc(F)cc2)cc1 1874391646 OBCBJGIKOHJHHI-BWJYWGHISA-N 430.552 6.052 30 10 IKEE Cc1ccsc1/C=N/n1c(CC2CCCCC2)nnc1SCc1cccc(Cl)c1 1874408982 ZBLMAFSKLXKMMV-ZVHZXABRSA-N 445.057 6.599 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2ccc(Cl)c(Cl)c2)nnc1[C@@H]1CCCO1 1874450613 GXLHJMHLSLLDCF-OGBFJMLUSA-N 447.391 5.919 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1sccc1C 1874480109 IIFHSEFGEXEBLP-SSDVNMTOSA-N 439.437 6.472 30 10 IKEE COc1cc(/C=N/n2c(SCc3ccc(C)cc3)nnc2C(C)C)ccc1OC(C)C 1874508903 AYSBCIYCNAEQPL-AFUMVMLFSA-N 438.597 5.680 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2ccc(C(C)C)cc2)c1 1874512108 WTYDGSAJTXKWSV-VULFUBBASA-N 449.624 5.755 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccc(Cl)cc1 1874526421 ZXOWFPGUKBQAMB-LSHDLFTRSA-N 425.772 5.975 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1/N=C/c1ccccn1 1874541511 DMVRMHUHBUTYII-ZVHZXABRSA-N 448.379 5.152 30 10 IKEE CCc1ccccc1NC(=O)COc1c(/C=C/C(=O)c2ccccc2OC)cccc1OC 1874576791 GTVGIQOJUYZGLB-WUKNDPDISA-N 445.515 5.180 30 10 IKEE Cc1ccc(C(=O)/C=C/c2c(OCC(=O)Nc3cccc(C)c3)ccc3ccccc23)cc1 1874579192 BCXSSONHWZJEAD-FOCLMDBBSA-N 435.523 6.370 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(C)ccc2C)c1OCC(=O)Nc1cc(C)cc(C)c1 1874580469 PDZCGKKECPIHJR-VAWYXSNFSA-N 443.543 5.842 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2c(C)cccc2C)c(C)c1C 1874586428 NBXYFIDHBQTUTI-FYWRMAATSA-N 443.543 5.842 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc1OCC(=O)OCC(C)C 1874600991 NIVQIWKCWIFIEW-FMIVXFBMSA-N 448.515 5.331 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)cc1 1874602517 QMTYXWITSXZOTL-XYOKQWHBSA-N 437.879 6.122 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 1874613528 ZDTYVQVFHKDXRU-XYOKQWHBSA-N 437.879 6.122 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OCC(=O)N[C@@H](C)c1ccccc1 1874614581 SXGFTJVBLOXRSG-JKGDOXCYSA-N 449.934 5.501 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3F)cc2)cc1 1874622111 MOKISLLNWNJRPC-LICLKQGHSA-N 431.507 6.037 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OCC(=O)NCCC 1874629839 YBUIKYHDXHJDSI-VAWYXSNFSA-N 449.591 5.458 30 10 IKEE CCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@@H](C)C1 1874647536 DEVNTDTWUMNLLO-YKSBVNFPSA-N 425.617 5.204 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1OC(=O)c1ccccc1Cl 1874698837 QKILVCJLEOXIQG-UXBLZVDNSA-N 428.818 5.742 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OC(=O)c1ccc(N(C)C)cc1 1874699133 GCCXMVBXZLXWET-NTUHNPAUSA-N 435.907 5.530 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@@H]3CCCO3)c2)cc1OCCC 1874699934 UEVIFMIMDNWFSP-YKATVRGKSA-N 438.520 5.245 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccc(-n3cccc3)cc2)c1 1874704348 KCZVXHJSMFPSGZ-NTEUORMPSA-N 437.495 5.910 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1OC(=O)[C@H](C)c1ccccc1 1874710480 CSUAEYCBEYECTI-XSEIIIHRSA-N 442.555 6.534 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] 1875087581 BEJZWPZJBUTGOC-ZRDIBKRKSA-N 426.425 5.275 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(C(F)(F)F)cc2)cc1)c1ccc2ccccc2c1 1875096526 RXLYLVLJRXUZJF-FRKPEAEDSA-N 446.424 6.974 30 10 IKEE O=C(Cc1ccccc1Cl)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1 1875104137 IGCFKVLBXZNUMA-KPKJPENVSA-N 445.729 6.691 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3cccc(C)c3)c(OC)c2)cc1C 1875107152 CQKGRSGMSIHLGT-PKNBQFBNSA-N 446.499 5.445 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)c2ccccc2Cl)c([N+](=O)[O-])c1 1875118880 TVTHHKFMUUPJGU-ZRDIBKRKSA-N 437.835 5.372 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1cncc(C)c1 1875132078 DUGFDJNAKXCSAM-XVNBXDOJSA-N 442.298 5.821 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)c3ccc4nc(C)c(C)nc4c3)cc2)ccc1F 1875141305 XZGLJWSBLXNBOV-AWNIVKPZSA-N 440.474 5.809 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cccc4ccccc34)cc2)cc1 1875148329 BIGREQXTMAYUOP-DEDYPNTBSA-N 448.562 7.182 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)Cc1cccs1 1875160312 JQNATPZZJOBYLC-QPJJXVBHSA-N 448.874 5.733 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc([N+](=O)[O-])c1OC(=O)CC(C)C 1875163994 NJZBEGKRBKHMAM-VMPITWQZSA-N 433.407 5.119 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)ccc1OC(=O)C(C)(C)C 1875166047 NNRYDXVMHYUTCL-SOFGYWHQSA-N 437.319 5.858 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1OC(=O)C(C)(C)C 1875169009 FHDZMBXXYKXVRC-ZHACJKMWSA-N 442.983 6.820 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)c1ccc(F)cc1 1875171622 GAUVEYBZYQQWEM-VZUCSPMQSA-N 434.463 5.575 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)Cc3cccs3)cc2)c1 1875171891 SAFAJARBURKKCI-UKTHLTGXSA-N 436.529 5.590 30 10 IKEE C[C@H](C#N)c1cccc(C(=O)N2CCC(c3ccc4cc(Br)cnc4n3)CC2)c1 1891007335 UZQPQQDMYPFPRP-OAHLLOKOSA-N 449.352 5.039 30 10 IKEE O=C(Nc1ccc(F)c(C(F)(F)F)c1)N1CC[C@@H](Cc2ccc(C(F)(F)F)cc2)C1 1891398089 HGCVGXFCMLFBDD-ZDUSSCGKSA-N 434.355 5.960 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CN(Cc1ccccc1)C(=O)OC(C)(C)C)NCCC 1922113120 PUPPMGLDYYKOCR-RUZDIDTESA-N 438.612 5.565 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C 1926635801 BZVOGIGIQOUPFN-ZEQRLZLVSA-N 430.633 5.601 30 10 IKEE CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 2014634777 GKCWYJPGPOCDTE-WZONZLPQSA-N 449.617 5.413 30 10 IKEE CC#CCCCC[C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2019511527 XTOKIHYTKZIZNR-OEMFJLHTSA-N 430.633 5.437 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCC[C@@H]2CNC(=O)OC(C)(C)C)cc1 2032218369 XNMOEOXPDFXFSG-CLOONOSVSA-N 443.588 5.714 30 10 IKEE CCCCCCCCC[C@H](NCCC)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2034431035 DODWEJVQIPHRRJ-DQEYMECFSA-N 448.692 6.605 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)CCCN(C)C(=O)OC(C)(C)C)c1 2049128308 VRUDURRCPFXYTI-XMMPIXPASA-N 447.576 5.366 30 10 IKEE C#CCC[C@@H](NCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071349238 MLNGVQMPZGBJPZ-NAKRPHOHSA-N 429.560 5.270 30 10 IKEE N#Cc1c(C2CCC2)nn([C@@H](c2ccc(C(F)(F)F)cc2F)C2CC2)c1Br 2079926664 GBZKOJGDPJHDAB-QGZVFWFLSA-N 442.254 5.942 30 10 IKEE Cc1nn([C@H](c2cc(F)ccc2C(F)(F)F)C(C)(C)C)c(Br)c1C=NO 2080106206 VINUZIDSWAPWBA-CQSZACIVSA-N 436.247 5.556 30 10 IKEE COc1ccc([C@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C(C)(C)C)cc1F 2080111928 AVMYAJRGZFDGLU-KRWDZBQOSA-N 438.341 5.288 30 10 IKEE CC(C)(C)[C@H]1CSC(=Nc2ccc(Cl)c(I)c2Cl)N1 2093947949 MZPUTWLAMRQDDT-SECBINFHSA-N 429.154 5.337 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C#N)(Cc1cc(Br)ccc1Cl)C2 2110481503 ITPSWZPNBXVEOU-HOTGVXAUSA-N 439.781 5.717 30 10 IKEE Cc1c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)c(Br)nn1C 2131578389 AKOUKWWXFDWOKP-CQSZACIVSA-N 439.741 5.151 30 10 IKEE CC(C)(C)C#CC(=O)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2218505281 FLLQMXCJXOUKSL-HHHXNRCGSA-N 428.528 5.497 30 10 IKEE C=CCN(CC[C@@H](NCCC)c1sc(C)c(Br)c1C)C(=O)OC(C)(C)C 2226137514 SIHJGPJWCNOKAL-MRXNPFEDSA-N 445.467 5.981 30 10 IKEE C=CCCCCCCC[C@@H](N)[C@@H](O)c1cc(Br)c(Br)s1 2235520741 CASCMJBTGKLQMW-TZMCWYRMSA-N 425.230 5.551 30 10 IKEE CCCC[C@H](C[C@@H](C#Cc1ccccc1Br)NCC)NC(=O)OC(C)(C)C 2235719481 NNBMKKKYWVCMHQ-RTBURBONSA-N 437.422 5.252 30 10 IKEE CCC[C@]1([C@H](O)C#Cc2ccccc2Br)CCCCN1C(=O)OC(C)(C)C 2235736220 WYRUNRYNSIFXJD-DENIHFKCSA-N 436.390 5.121 30 10 IKEE CCc1ccc(C#C[C@@H](O)c2ccc(Br)cc2NC(=O)OC(C)(C)C)cc1 2239669522 QLIFNPMEUPLPDW-HXUWFJFHSA-N 430.342 5.444 30 10 IKEE CCCCCCCC[C@@](C)(CO)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2240555937 LJQMCZURXGJATE-QFIPXVFZSA-N 442.438 6.692 30 10 IKEE CCCN[C@@H](CC=CC#CC(C)(C)C)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2256733268 LZPJZFLLDRAXLL-VWLOTQADSA-N 440.672 6.568 30 10 IKEE CCN[C@@H](C#CC1CCCC1)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2260980241 JJBXTNJQMGCRIX-RPLLCQBOSA-N 440.628 5.002 30 10 IKEE C=CCN(C[C@@H](NCC)c1cc(Br)cc(C(C)C)c1)C(=O)OC(C)(C)C 2266001759 FTIDOJPFTDHCOJ-LJQANCHMSA-N 425.411 5.646 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(Nc2ccc(Br)cc2)C[C@@H]2CCCC[C@H]21 2279701346 FHSXEDLDIKOEML-KLHJMIIUSA-N 434.378 5.323 30 10 IKEE N#Cc1ccccc1Cn1cc(C=C2C=C(c3ccc(Cl)cc3)OC2=O)c2ccccc21 2294728484 KYZHDALYBFZPPU-UHFFFAOYSA-N 436.898 6.196 30 10 IKEE CCN[C@H](C#Cc1cccnc1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2295782972 FFYFFHWXDTZUMK-MUUNZHRXSA-N 448.566 5.942 30 10 IKEE CCCCCCCCOc1ccc(C=C2SC(=S)N(c3ccccc3C)C2=O)cc1 2295998902 CTJRALVEOGVEIZ-UHFFFAOYSA-N 439.646 7.140 30 10 IKEE C[C@@H](CC(=O)C#Cc1ccc(Br)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2296228297 XPBCAZZVYIUTMA-WMZOPIPTSA-N 434.374 5.043 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2C1=O 2296868136 XKAPBHMAWFSKNQ-UHFFFAOYSA-N 441.302 5.654 30 10 IKEE CCCCc1ccc(N=C2NC(=O)C(=C(C)c3ccc(Br)cc3)S2)cc1 2314557562 OKVIDOJZCUPBJV-UHFFFAOYSA-N 429.383 6.073 30 10 IKEE CCCCCCCCCCCCN1C(=O)C(=Cc2c(C)[nH]c3ccccc23)SC1=S 2314656386 RRCMYCVUWSIDFC-UHFFFAOYSA-N 442.694 7.598 30 10 IKEE C=CCSc1nnc(C2CC2)n1N=Cc1ccc(OCc2ccccc2C)c(OCC)c1 2320862604 HQBJIXANFJXQKF-UHFFFAOYSA-N 448.592 5.602 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C2CC2)c1 2320892375 GGKIPTBPZRWXOR-UHFFFAOYSA-N 447.391 6.036 30 10 IKEE Cc1cc(OCc2c(Cl)cccc2Cl)cc2c1C(=O)C(=Cc1cccc(Cl)c1)O2 2321773216 XBXLWKRBDWAZQT-UHFFFAOYSA-N 445.729 7.150 30 10 IKEE COc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccc(C)cc2)C4)cc1 2321958608 JNMPSLPPHOEILL-UHFFFAOYSA-N 427.500 5.280 30 10 IKEE CCn1cc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccco2)C4)c2ccccc21 2321962471 DIOFUNJJEJGPPS-UHFFFAOYSA-N 440.499 5.531 30 10 IKEE COc1ccc([C@H](C)N2COc3ccc4c(c3C2)OC(=Cc2ccc(C)cc2)C4=O)cc1 2322239881 QUMOTJMMECJDGG-SFHVURJKSA-N 427.500 5.533 30 10 IKEE CCc1ccc([C@@H](C)N2COc3ccc4c(c3C2)OC(=Cc2cccc(F)c2)C4=O)cc1 2322259921 HYDJOKLLUANMEL-QGZVFWFLSA-N 429.491 5.917 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc2ccccc2c1 2322326423 QTWLMGYKMJKNBD-UHFFFAOYSA-N 449.978 6.417 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1c(F)cccc1Cl)C3=O)CN(CCCOC(C)C)CO2 2322333364 IMANAWLDYHAPTD-UHFFFAOYSA-N 445.918 5.371 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2cc(C)ccc2C)cc1 2322402046 YFWDYJIIQPANQA-UHFFFAOYSA-N 428.572 7.130 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)c4cccc(Br)c4)cc(C)c3C2=O)c1 2322931770 UWNYYGPUDGLVGN-UHFFFAOYSA-N 449.300 5.901 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2nccs2)c2ccccc12 2323009122 SBVBWEBRHNFSAA-UHFFFAOYSA-N 444.512 5.219 30 10 IKEE O=C(COc1cccc(C=CC(=O)c2ccc(Cl)cc2Cl)c1)Nc1ccccc1 2323076009 MLKUEHLFBAAEAW-UHFFFAOYSA-N 426.299 5.907 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cccc(OCc2cccc3ccccc23)c1 2323289270 UVTZBGQCSDPMKW-UHFFFAOYSA-N 442.942 7.285 30 10 IKEE O=C(C=Cc1ccc(Cl)cc1)Oc1ccc2c(c1)OC(=Cc1cccc(Cl)c1)C2=O 2323318093 XOBUYUILPADJRI-UHFFFAOYSA-N 437.278 6.228 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(OC(=O)Cc3cccc4ccccc34)c2C)C1=O 2323400760 UJHNSVZYPPUXNX-UHFFFAOYSA-N 440.520 6.282 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCC(=O)NCc3ccco3)c(OC)c2)cc1 2323557207 KNSZMTKJOCKUNF-UHFFFAOYSA-N 447.531 5.222 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Br)c(OC)c(Br)c2)cc1 2323628302 QLUJSYHXUNGMNV-UHFFFAOYSA-N 426.104 5.125 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc3C2=O)cc1 2323631135 UNZYXIGFDHFXPR-UHFFFAOYSA-N 428.484 5.865 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OCc1c(F)cccc1Cl 2323733430 MADRGOJLKJYVFT-UHFFFAOYSA-N 446.852 6.631 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Cl)c1OCCc1ccccc1 2323767214 KDHVWMMSVQDDRP-UHFFFAOYSA-N 441.354 6.910 30 10 IKEE CCOc1cc(C=NNc2nc(-c3cccs3)c(C)s2)cc(Br)c1O 2323854654 JYRNZHGEOAXSEC-UHFFFAOYSA-N 438.372 5.493 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OCc1cccc2ccccc12 2324098004 JWLNXJYBGFEARV-UHFFFAOYSA-N 438.479 6.052 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OCc3cccc(C)c3)cc2)cc1 2324208831 UQISLEGHQYDLRX-UHFFFAOYSA-N 442.599 7.819 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OCc2cccc(Cl)c2)cc1 2324220218 ZJZXWSXZCYUNMF-UHFFFAOYSA-N 434.963 7.121 30 10 IKEE Cc1cc(OCCCc2ccccc2)cc2c1C(=O)C(=Cc1ccc(-c3ccccc3)cc1)O2 2324280957 CZYJDYTXSAQIQZ-UHFFFAOYSA-N 446.546 7.290 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1)NCc1ccccc1 2324651509 WZJGYDSANIGAFA-UHFFFAOYSA-N 440.326 5.585 30 10 IKEE CC(C)Oc1ccc(C=C(C(=O)Nc2sc3c(c2C#N)CCCC3)c2ccccc2)cc1 2325180254 LMGHPTKMHYUOLC-UHFFFAOYSA-N 442.584 6.465 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OC(c4ccccc4)c4ccccc4)c3C)C2=O)cc1 2325215988 NVTGTAFZGRVHEG-UHFFFAOYSA-N 448.518 6.788 30 10 IKEE COC(=O)c1ccc(COc2ccc3c(c2C)OC(=Cc2cn(C)c4ccccc24)C3=O)o1 2325377918 NCNBWORGNMSIDN-UHFFFAOYSA-N 443.455 5.062 30 10 IKEE Cc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccc(Cl)cc2)cc1 2325493236 WVHYCVGXONYDFG-UHFFFAOYSA-N 432.980 6.005 30 10 IKEE CCCCOc1ccc(C=Nn2c(CCC)nnc2SCc2ccc(F)cc2)cc1 2325544202 INZKYLVZUVTFPH-UHFFFAOYSA-N 426.561 5.723 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccccc2Br)c1)c1cccc(Cl)c1 2325728392 PZKRGAZDKUWSSF-UHFFFAOYSA-N 441.708 6.218 30 10 IKEE O=C(Cc1ccccc1F)Oc1cccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)c1 2325737054 ZKHCUOQWFGGOBL-UHFFFAOYSA-N 429.274 6.177 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2cccc(OC(=O)c3cccc(F)c3)c2)c1 2325758322 RPPWEECBQNSBMY-UHFFFAOYSA-N 434.463 5.738 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1ccc(F)cc1 2325910001 ZMUQWRPJOMVUJL-UHFFFAOYSA-N 439.343 5.687 30 10 IKEE C=C(C)CSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1ccccc1 2325912643 DMJQMNBCJITNPB-UHFFFAOYSA-N 433.364 5.714 30 10 IKEE Cc1ccccc1CSc1nnc(COc2cccc(C)c2C)n1N=Cc1ccco1 2328822699 ZTJLIOHEZBJLBX-UHFFFAOYSA-N 432.549 5.550 30 10 IKEE Cc1ccc(CSc2nnc(Cc3cccs3)n2N=Cc2c[nH]c3ccccc23)cc1 2330316582 KPBCXHFSHDGPFJ-UHFFFAOYSA-N 443.601 5.895 30 10 IKEE CSc1nnc(CC(C)(C)C)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2330798541 MBKXKBVJPXYZBZ-UHFFFAOYSA-N 428.989 5.703 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccccc1F 2330824711 VSSFEUONGLQCCT-UHFFFAOYSA-N 427.505 5.089 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2F)n1N=Cc1ccc([N+](=O)[O-])cc1 2330844842 DILUEGZRPVVRAN-UHFFFAOYSA-N 427.505 5.089 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(CCCC)cc2)cc(OC)c1OC(=O)C(C)(C)C 2330845708 TYAMSBCOHMLUHU-UHFFFAOYSA-N 434.576 6.614 30 10 IKEE Fc1cccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2[C@@H]2CCCO2)c1 2331009129 QCQCZVPKZVJHCX-SFHVURJKSA-N 434.899 5.236 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCCC3)n2N=Cc2cccc([N+](=O)[O-])c2)c1 2331071698 HNSSERDSLHDJFV-UHFFFAOYSA-N 435.553 5.635 30 10 IKEE Clc1cccc(CSc2nnc(C3CCCC3)n2N=Cc2ccccc2Cl)c1 2331092724 GSZUUEHBIPWWLL-UHFFFAOYSA-N 431.392 6.417 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2Cl)c1 2331143931 MQCUIBMTCZXXHT-UHFFFAOYSA-N 441.310 6.507 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)CCCSC 2331215859 JRHATTKYAXDIQK-UHFFFAOYSA-N 432.969 5.910 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)C3CCC3)c(OCC)c2)cc1 2331306328 XDIWGUNETJXZTK-UHFFFAOYSA-N 442.939 6.129 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1F 2331451375 WUMRXROOZNZORD-UHFFFAOYSA-N 432.491 6.247 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)COc1ccccc1 2331657707 WZHINGYIMNPTHP-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3[N+](=O)[O-])c([N+](=O)[O-])c2)cc1C 2331707525 JAIKXNQKGTVHHT-UHFFFAOYSA-N 446.415 5.235 30 10 IKEE CC1(C)C[C@@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)[C@@H]1OCc1ccccc1 2339579049 PWUHNUQHNRVJFD-GGAORHGYSA-N 434.389 5.522 30 10 IKEE N#Cc1ccc(OCc2cc(I)ccc2Cl)cc1Br 2352249740 SEQPMLZSCMCCTD-UHFFFAOYSA-N 448.485 5.158 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(Oc2cc(F)c(Cl)cc2Br)n1 2362175985 MBPUDIIQZJWMFN-UHFFFAOYSA-N 442.521 5.037 30 10 IKEE CCCCCCCC[C@H](O)c1c(Cl)cc(Br)c(F)c1Br 2362306862 XNCWRVKIKLOLKI-LBPRGKRZSA-N 430.583 6.788 30 10 IKEE COCc1ccc(CN(C(=O)OC(C)(C)C)[C@@H](C#N)c2cc(C)c(Cl)s2)s1 2368020673 XEEFNBUPNIEEMV-HNNXBMFYSA-N 426.991 5.920 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H](Nc2ccc(Br)c(C#N)c2)[C@@H]1C(F)(F)F 2370051386 VBUDLNJLEZHKMA-LSDHHAIUSA-N 448.283 5.063 30 10 IKEE CC(C)c1cc(Br)ccc1OCC(=O)Nc1sc2c(c1C#N)CCCC2 1984305 SKGVZASYDGSSIN-UHFFFAOYSA-N 433.371 5.402 30 10 IKEE Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(O)c([N+](=O)[O-])c2)cc1 21218350 KZCSKTPJXRONOA-HFJWLAOPSA-N 441.487 5.588 30 10 IKEE COc1cccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(Cl)c(Cl)c2)C3)c1OC 21221372 IZSOCYLUXDHTKQ-UKRRQHHQSA-N 446.330 5.015 30 10 IKEE COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)c(OC)c1 21252839 QGDBDPFHIKYGGX-VKGTZQKMSA-N 440.543 5.992 30 10 IKEE C=CCCC(O)(CCC=C)c1ccc(CN(CCOC)Cc2ccc(OC)c(OC)c2)o1 36156197 BTHMLMVLZCZLPH-UHFFFAOYSA-N 443.584 5.065 30 10 IKEE C=CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)[C@@H](C)CC 36308415 VFRIOPBPRQZDCK-URXFXBBRSA-N 449.595 5.137 30 10 IKEE O=C1/C(=C/c2ccc(O)c(O)c2)S/C(=N/c2cccnc2Cl)N1C1CCCCC1 39864097 DZHQTKBFMQNWCB-FKHPOCDDSA-N 429.929 5.083 30 10 IKEE Cc1c(/N=N/c2ccccc2C(=O)c2ccccc2)c(O)n(Cc2ccco2)c(=O)c1C#N 39871585 HGIJJMNKYWTWRG-BYYHNAKLSA-N 438.443 5.022 30 10 IKEE Cc1cc(C)cc(OC(=O)c2oc3c(c2C)/C(=N/Nc2ccc([N+](=O)[O-])cc2)CCC3)c1 40814691 SOEXXGQYKCWMJO-LHLOQNFPSA-N 433.464 5.485 30 10 IKEE C/C(CC(C)C)=N\Nc1nc(SCC(=O)Nc2ccccc2Oc2ccccc2)n[nH]1 59891750 XIACQCMYQLQHCW-PCLIKHOPSA-N 438.557 5.162 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2 100359957 ASJJSQLKZJXIRK-WZOHSFFVSA-N 430.419 8.169 30 10 IKEE C=CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)c1ccc(Cl)cc1Cl 101191489 LCWDHAGHKHCJDO-UHFFFAOYSA-N 448.375 5.345 30 10 IKEE CCOc1ccc(/N=C2/NC(=O)S/C2=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 101985200 MHEARSTZMUHZRS-DEDYPNTBSA-N 435.461 5.781 30 10 IKEE CCCCCCCCCCCn1c(CCCNC(=O)[C@@H]2CCCO2)nc2ccccc21 102147497 INLHERXPXGEYPW-DEOSSOPVSA-N 427.633 5.795 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2cccc(OC)c2)cc1 169929935 SIYGZXPAZDVZQL-RUZDIDTESA-N 441.527 5.657 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@@H](c2cccc(OCc3ccc(C)cc3)c2)NC(=S)N1C 169935187 QGYWBGZFHJMWJZ-RUZDIDTESA-N 442.584 5.592 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C(C)C)cc2)c1 169967635 RKERTUIVBURKRE-XMMPIXPASA-N 445.946 6.555 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2cccc(C)c2)cc1 169969337 PXEYUXRMSRSMSO-QHCPKHFHSA-N 447.918 5.830 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccccn1 169996840 VPVDMHKPZXZULQ-FQEVSTJZSA-N 439.298 5.480 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccccc2F)c1 170069951 CMAUQOZCWLMFTG-XMMPIXPASA-N 429.491 5.842 30 10 IKEE CCN(C1=C(c2ccc(Cl)cc2)C(=O)N(c2ccc(C#N)cc2)C1=O)c1ccccc1 170072628 GKZHKKQCMNMXSD-UHFFFAOYSA-N 427.891 5.023 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1ccccc1OC 170125084 MDBQGDBJMJJFNA-OAQYLSRUSA-N 439.895 5.473 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@@H]1c1ccc(O)cc1 170137327 ZTRWISIHLQNTGO-NRFANRHFSA-N 443.927 5.213 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1cccs1)c1ccc2c(c1)CCCC2 170154240 FVZCORKNIUMVGW-OAQYLSRUSA-N 435.570 5.467 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccs1 170162559 DFNCITXYQGBMSM-NRFANRHFSA-N 435.545 5.726 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccccn1)c1ccc(Cl)cc1 170173568 DSVBAHDKYFRRJO-LJQANCHMSA-N 425.271 5.171 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccccn1)c1ccc2ccccc2c1 170173646 RVLNKBCEEMIMHR-QHCPKHFHSA-N 440.886 5.671 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)cc(C)c3OC)[C@H]2c2cccnc2)cc1 170185875 KAVFAPCTHRWUEX-HSZRJFAPSA-N 442.515 5.052 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2cccnc2)c1 170187523 VSTHSGKUYIDPKE-RUZDIDTESA-N 434.495 5.635 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccccc1 170221688 VRZYPXAMDYYRBV-NRFANRHFSA-N 433.529 5.152 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccccc2)c1 170225238 RGCZOJGTMFUPRF-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccccc1F)c1ccc2ccccc2c1 170250930 XZTYUBGQWDKOGV-XMMPIXPASA-N 438.458 5.152 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@@H]1c1c[nH]c2ccccc12 170255538 DRNJRXFPPOWUIY-QHCPKHFHSA-N 446.547 5.462 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccc(O)c2)cc1C 170259963 FVCXFMGFVSWMGO-XMMPIXPASA-N 443.499 5.191 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccc2C)cc1C 170271584 BIFUIZWOPGKXOS-RUZDIDTESA-N 441.527 5.793 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2ccco2)cc1Cl 170290802 YYANHVGTWOBNJH-LJQANCHMSA-N 445.805 5.003 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C(C)(C)C)ccc3C)[C@@H]2c2ccc(C)o2)cc1 170303905 RESODKQECFYMOX-DEOSSOPVSA-N 443.543 6.285 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1F)c1ccccc1 170381394 OXGLHSFZGIWKIJ-HXUWFJFHSA-N 442.273 5.915 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1cccc(Oc2ccccc2)c1 170457146 YJTLNKQGUXFRQZ-RUZDIDTESA-N 442.515 5.385 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 170467196 ADJHUBJVRCELNE-QHCPKHFHSA-N 433.592 6.623 30 10 IKEE COc1cc(Nc2nc(SC)nc(-c3cccc(Cl)c3)c2C#N)c(OC)cc1Cl 243083737 ISGDZBUUKBRNHJ-UHFFFAOYSA-N 447.347 5.805 30 10 IKEE CCOc1ccc(C(=O)CC(=NNc2nc(-c3ccccc3)cs2)C(F)(F)F)cc1 254709796 CMAJJKNKVNSUHY-UHFFFAOYSA-N 433.455 5.812 30 10 IKEE O=S(=O)(c1ccc(N=Cc2ccc(OCc3ccccc3)cc2)cc1)N1CCCCCC1 257352048 ISMXCSLSRDBCGO-UHFFFAOYSA-N 448.588 5.581 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)c1ccccc1OCc1ccccc1 405040521 ZLTFKUHMWQDACE-UHFFFAOYSA-N 443.352 5.126 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3cccc4ccccc34)[C@H]2c2ccc(Cl)cc2)cc1 526489938 BVHDMANLRQPKMV-RUZDIDTESA-N 436.898 6.422 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccco2)cc1OCC 526607830 XLIOABSOPZYHOW-HSZRJFAPSA-N 430.460 5.006 30 10 IKEE COc1c(Cl)cc(/C=N\n2c(C)nnc2SCc2ccc(Cl)cc2)cc1Cl 526806546 JLWNAZHYWUCNGC-AFPJDJCSSA-N 441.771 5.730 30 10 IKEE CC(C)(C)c1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 586210376 LBIYVFCCTHZNIH-UHFFFAOYSA-N 449.532 5.159 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2ccncc2)cc1 586234384 WXXXRXSOLGXQCA-UHFFFAOYSA-N 433.577 5.472 30 10 IKEE C=CCCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1cc(C)ccc1OC 586245049 IBLXUGUIAJUQFK-UHFFFAOYSA-N 437.561 5.354 30 10 IKEE COc1ccc(C)cc1S(=O)(=O)N(C(=O)c1cccc(C#N)c1)c1ccc(C(C)C)cc1 586279855 CDBZQIJJWCNIJG-UHFFFAOYSA-N 448.544 5.034 30 10 IKEE CCCCCCC[S@](=O)CC(=O)Nc1sc(-c2ccccc2)cc1C(=O)OCC 586351965 PVELNBXHBPONET-LJAQVGFWSA-N 435.611 5.249 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)C1(C#N)CCC(C(C)(C)C)CC1 698459150 VBSUYWVNXZHMJM-UHFFFAOYSA-N 435.406 6.689 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@H](C#N)c1ccc(Br)cc1F 698850404 JFKXQNZSYGCJNL-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2ccc(Br)cc2C)cc1 698964286 HWWDXZNTKQWFKC-LJQANCHMSA-N 431.330 5.773 30 10 IKEE CCCCCCCCC[C@H](NC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 705479608 JIGNDAYTOYMXFD-OEMFJLHTSA-N 434.665 6.214 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@](C)(C#N)COCc1ccccc1 710827959 FZAWNTPYCPAUDH-QFIPXVFZSA-N 445.357 5.690 30 10 IKEE CCN1C(=O)C[C@@H](C(=O)Nc2ccc(C)cc2C)SC1=Nc1ccc(C)c(Cl)c1 1084212208 OMRRAHKGRNEXRB-IBGZPJMESA-N 429.973 5.245 30 10 IKEE Brc1ccc(CSc2n[nH]c(NN=Cc3cccc4ccccc34)n2)cc1 1084341066 NQMDDASLYNHQNK-UHFFFAOYSA-N 438.354 5.459 30 10 IKEE CN(C)c1ccc(C=NNc2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 1084551690 KQYMIWGHKXTVLL-UHFFFAOYSA-N 443.532 5.897 30 10 IKEE C[C@H]1C[C@@H](C)CN(/C(=N/Cc2cc(Br)ccc2F)Nc2ccc(O)cc2)C1 1088684384 SPPSLJOACNQGCW-GASCZTMLSA-N 434.353 5.240 30 10 IKEE O=C(O)c1cccc(N=C2S/C(=C/C=C\c3ccccc3)C(=O)N2c2ccccc2)c1 1772734379 FCXMELUTHQPTBA-ACMPQJNMSA-N 426.497 5.750 30 10 IKEE CC(/C=C1\SC(=NN=Cc2cccnc2)N(Cc2ccco2)C1=O)=C\c1ccccc1 1772758303 QWXKTRALIQPCKW-VUASONSBSA-N 428.517 5.128 30 10 IKEE CCCCCCCCCCCCCC[C@H](C)O[S@@](=O)(=S)CCCCCCCC 1848349914 VWJIXEVUJAFBAX-RBJSKKJNSA-N 434.796 8.505 30 10 IKEE Clc1ccc(CO/N=C/c2c(-c3ccc4ccccc4c3)nc3occn23)cc1Cl 1857564441 UAKNSRDQWPLPHH-LGJNPRDNSA-N 436.298 6.605 30 10 IKEE C=CCN(CC=C)C(=O)Oc1cccc2c(NC(=O)C34CC5CC(CC(C5)C3)C4)cccc12 1858951067 BBZAEXQKLKUANH-UHFFFAOYSA-N 444.575 6.168 30 10 IKEE CC(C)C[C@H](C)N(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(F)c1 1859940492 ILVVTURDTKYPNZ-ZDUSSCGKSA-N 435.383 6.945 30 10 IKEE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(OCc2ccccc2C#N)c1 1860118279 CHFSIMUSVANXNR-HNNXBMFYSA-N 441.314 5.850 30 10 IKEE CCCOc1ccc(/C=C/C(=O)C(=O)NC2CCCCCCCCCCC2)cc1OC 1860734932 WPIIUGKCJSDCCA-BMRADRMJSA-N 429.601 5.856 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(Cl)cc1 1861138643 IIWKMFVENIZTLO-QHCPKHFHSA-N 429.004 5.087 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1c(F)cccc1Cl 1862383105 MXANQESMNATFQK-QGZVFWFLSA-N 442.701 5.774 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCc2ccccc2)c1 1862429458 NSAXCGBLOFBUBE-HSZRJFAPSA-N 431.919 5.469 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccccc1F)c1cccc(Cl)c1 1862443819 UDVPUKUWECELDN-QFIPXVFZSA-N 435.882 5.300 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2cccc(O)c2)cc1 1862533322 LLRUAFRKUNYKKH-XMMPIXPASA-N 427.500 5.042 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc2cc[nH]c2c1 1862560847 NGVYKYZVTAGFSX-ZJSXRUAMSA-N 445.563 5.687 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccccc1C(=O)O 1862664821 RUIXDGROUWEINS-QFIPXVFZSA-N 435.520 5.133 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(O)c(OCC)c1 1862682600 QDCCISABXDHBEH-QFIPXVFZSA-N 441.499 5.089 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc2cc[nH]c2c1 1862714049 CQJJESJYZYUSHA-VWLOTQADSA-N 438.527 5.946 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccccc1F 1862724256 KIIGLCXKXJKAGF-OSPHWJPCSA-N 429.491 5.870 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1ccc2cc[nH]c2c1)c1ccc(-c2ccccc2)cc1 1862726561 JMMLZLHDJCUTGF-VWLOTQADSA-N 434.495 5.576 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1F 1862735569 NYRXCVIMUMQPAG-QRQCRPRQSA-N 446.434 5.073 30 10 IKEE N#Cc1ccc(N2C(=O)C(Nc3ccc4ccccc4c3)=C(c3ccc(Cl)cc3)C2=O)cc1 1862796920 BHFMFDQPUBSGEC-UHFFFAOYSA-N 449.897 5.761 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3cccc4ccccc34)C2=O)cc1C 1862842283 FPCMHPKJFVCHHO-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE CCOc1ccccc1NC1=C(c2ccccc2Cl)C(=O)N(c2ccc(C#N)cc2)C1=O 1863077086 ANUYGPRNEIAYIA-UHFFFAOYSA-N 443.890 5.007 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(N(CC)CC)cc2)=C(c2cc(Cl)ccc2Cl)C1=O 1863383624 SORAMQYFUVMKRW-UHFFFAOYSA-N 444.362 5.218 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C(C)C)cc2)=C(c2ccccc2OC)C1=O 1863428485 AOQZHHNQSYXSDJ-UHFFFAOYSA-N 448.607 6.371 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2[N+](=O)[O-])C(=O)N(CCCC)C1=O 1863591963 FHAWTPNFRISPIF-UHFFFAOYSA-N 429.561 5.205 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCOC)=C(c2cc(Cl)ccc2Cl)C1=O 1863729976 GZIUDSNAFWSGKM-UHFFFAOYSA-N 441.399 5.060 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl 1868185530 RXENEPPMQYAVNA-UHFFFAOYSA-N 429.026 5.141 30 10 IKEE COc1ccc2c(c1)CCN(c1cc(Nc3cccc(C#N)c3)nc(-c3cccnc3)n1)[C@@H]2C 1868552687 BCWRYHVNFDDIEK-GOSISDBHSA-N 448.530 5.286 30 10 IKEE C=CCn1cc(OCCc2ccccc2)c(=O)cc1CSCCc1nc2ccccc2[nH]1 1870191493 FLZKVTBNONZVAV-UHFFFAOYSA-N 445.588 5.008 30 10 IKEE CCCCCCCCn1cc(OCCCCCC)c(=O)cc1CN1C[C@@H](C)O[C@H](C)C1 1870676500 IYQNNRUEGFISDN-DHIUTWEWSA-N 434.665 5.777 30 10 IKEE C=CCn1cc(OCc2cccc(OC)c2)c(=O)cc1CNc1ccc(F)c(Cl)c1 1871054318 DYDYAVFUFXXJIV-UHFFFAOYSA-N 428.891 5.027 30 10 IKEE C=CCn1cc(OCc2ccc(C)cc2)c(=O)cc1CNc1ccc(N2CCCC2)cc1 1871205305 HTUNLSSDFYBMEG-UHFFFAOYSA-N 429.564 5.134 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(F)cc1)O3)CN(Cc1cccc(Cl)c1)CO2 1871347884 AXAHIZUZLZHQEQ-JJFYIABZSA-N 435.882 5.756 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OC(=O)CCCOc4ccccc4C)ccc3C2=O)c1 1871369780 YBUOOTAVXISELS-XYGWBWBKSA-N 428.484 5.684 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871375482 NKYJORIEEOIDPG-UCQKPKSFSA-N 448.902 5.811 30 10 IKEE Cc1c(OC(=O)/C=C/c2cccs2)ccc2c1O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 1871381260 QZYDSBLMOXIKDM-AIEPUDQMSA-N 444.552 6.589 30 10 IKEE Cc1c(OC(=O)c2ccc(OCC(C)C)cc2)ccc2c1O/C(=C\c1ccccc1)C2=O 1871383021 JUVPZIUUXZZXIF-IWIPYMOSSA-N 428.484 5.865 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(Cl)c2)C3=O)c1 1871389806 PFVQGZYXXMYIBU-UCQKPKSFSA-N 446.886 6.049 30 10 IKEE Cc1c(OCCCc2ccccc2)ccc2c1O/C(=C\c1c(Cl)cccc1Cl)C2=O 1871399560 NKFQTCMMNHRLMF-HAHDFKILSA-N 439.338 6.930 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4cccc(C)c4C)cc(C)c3C2=O)o1 1871413580 KQTAIPPPLAHBDA-OMMIQNFISA-N 431.488 5.535 30 10 IKEE CC(=O)Nc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 1872760057 GIJKQLTXFBQVQB-JOCHJYFZSA-N 429.545 5.066 30 10 IKEE Cc1ccccc1OCCCC(=O)[C@H](C#N)c1nc(-c2cccc3ccccc23)cs1 1872775534 SULVUDLGKJPAKC-QFIPXVFZSA-N 426.541 6.307 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)CCCOc3ccccc3)n2)cc1C(C)C 1872779651 OBTOJUCEDMJSGM-JOCHJYFZSA-N 448.588 6.286 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1C(C)C 1872779716 PNQKPENWBVGJPU-LJQANCHMSA-N 435.505 5.649 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@H](C#N)C(=O)COc2cccc(C)c2C)n1 1872786845 UGHDJRVSVMQSLX-QGZVFWFLSA-N 440.952 5.653 30 10 IKEE Cc1nc(SCc2cccc(C(=O)Nc3ccc(OC(C)C)cc3)c2)c(C#N)c(C)c1C 1872892993 BIFUQQZPOVKRFH-UHFFFAOYSA-N 445.588 6.210 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H]2CCCC[C@H]2C)=C(c2ccccc2OC)C1=O 1873153257 XXUGYOMVUKVCEK-CTNGQTDRSA-N 426.601 5.304 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1c2ccccc2C(=O)N(CCOC)C12CCCC2 1873936761 QEIBEKXZHFSZHR-XMMPIXPASA-N 442.644 5.442 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1ccccc1 1874207258 FZCAGEJWFUVKPU-LPYMAVHISA-N 427.371 5.182 30 10 IKEE CCCOc1ccc(/C=N/n2c(CCCOc3c(C)cccc3C)nnc2SC)cc1 1874225229 ZRHSXHDZJVPTOH-KOEQRZSOSA-N 438.597 5.299 30 10 IKEE Cc1cccc(OCCCc2nnc(SCc3ccccc3)n2/N=C/c2cccn2C)c1 1874247308 XEZCTSDEWRBIEX-NLRVBDNBSA-N 445.592 5.111 30 10 IKEE Cc1ccc(CSc2nnc(COc3cccc(C)c3C)n2/N=C/c2ccccc2)cc1 1874322476 SCQLSWCEPHWAGF-JVWAILMASA-N 442.588 5.957 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1ccc(C(C)C)cc1 1874327534 SNGHDNPKYOLGHG-VULFUBBASA-N 434.609 6.148 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3F)n2/N=C/c2cccnc2)cc1C 1874329918 HJWNLQXYQPIHKV-LQKURTRISA-N 445.567 5.389 30 10 IKEE Fc1cccc(CSc2nnc(COCc3ccccc3)n2/N=C/c2cccs2)c1 1874353815 CBWSRQQDNZXWFD-ZMOGYAJESA-N 438.553 5.370 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2ccncc2)cc1C 1874358689 VCKJKGQUFAPAAL-OVVQPSECSA-N 427.577 5.098 30 10 IKEE C=CCSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874359319 ASDPCDXWLLHINU-ZMOGYAJESA-N 431.392 5.953 30 10 IKEE Cn1cccc1/C=N/n1c(Cc2ccc(F)cc2)nnc1SCc1cccc(Cl)c1 1874381975 RVOBLSDMCCPINO-AFUMVMLFSA-N 439.947 5.174 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3Cl)n2/N=C/c2cccc(O)c2)cc1 1874389544 RNDFLORUEKOWDJ-CVKSISIWSA-N 448.979 5.711 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874402663 HVXAWQUCDRNMQF-VULFUBBASA-N 430.499 5.633 30 10 IKEE Clc1ccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2cccs2)cc1 1874408888 VDWVYAMGBYYWSA-OEAKJJBVSA-N 431.030 6.290 30 10 IKEE Fc1ccccc1CSc1nnc(Cc2ccccc2)n1/N=C/c1ccccc1Cl 1874416988 SAGGLMBDGWWRCA-CVKSISIWSA-N 436.943 5.836 30 10 IKEE O=C(O)c1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2-c2cccs2)cc1 1874421103 VLRRCLRKQPAFSI-FSJBWODESA-N 438.509 5.018 30 10 IKEE CCCOC(=O)CSc1nnc(C2CCCC2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874457841 KKZWSCVLKAWBEO-SSDVNMTOSA-N 441.384 5.170 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C2CCCC2)c1 1874458784 FGZSWCXRNYNALE-BRJLIKDPSA-N 444.963 5.917 30 10 IKEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3cc(C)ccc3C)nnc2C(C)(C)C)cc1 1874480804 DZOJYUNVDSEQHI-CVKSISIWSA-N 449.624 5.368 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CCC2)cc1 1874495701 AAKXIAMJOOTUST-ZVHZXABRSA-N 426.973 5.772 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CC)nnc1SCc1ccc(Cl)c(Cl)c1 1874527674 AEMXUJQLOKPMFZ-ZMOGYAJESA-N 447.391 5.887 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(Cl)cc2)c1OCc1cccc(C)c1 1874578599 XBDUNFDQACQYQA-DHZHZOJOSA-N 427.327 6.786 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cc(Br)ccc2OCc2ccc(F)cc2)c1 1874580614 XBSHNSMECUYSSA-YRNVUSSQSA-N 439.324 6.680 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC)c2OCCc2ccccc2)cc1C(C)C 1874585601 XGWRTMCDBMNEIA-CCEZHUSRSA-N 444.571 6.653 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1OCC(=O)NCc1ccco1 1874599505 PPBTXWXRDCJKTI-CSKARUKUSA-N 447.531 5.113 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OCc1cccc2ccccc12 1874602784 DNVOBNZFJSKGMT-GHRIWEEISA-N 448.562 7.202 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc([N+](=O)[O-])c1OCc1cccc(C)c1 1874604795 FWEHIPCTBRXUFE-SDNWHVSQSA-N 445.515 6.339 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OC(=O)c1ccc(Cl)cc1 1874699333 PXDDHZWKJWWSTD-VZUCSPMQSA-N 427.283 6.117 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1cccc(/C=C/C(=O)c2ccc(F)cc2F)c1 1874699706 IXCZUVGTBVSRJG-SDNWHVSQSA-N 428.434 6.162 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1OC(=O)c1ccccc1OC 1874710943 MXDXTWTZZIWHKE-ACCUITESSA-N 444.527 6.053 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)CCCSC)c1 1874712460 XPEWMCHZYIXOEG-CMDGGOBGSA-N 439.360 5.947 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1OC(=O)c1cnc(C)cn1 1874717596 DLMWBQKPEIRZJA-XVNBXDOJSA-N 443.286 5.216 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)CCc2ccccc2C)c([N+](=O)[O-])c1 1875119270 MCZDVKABEXBYKH-SDNWHVSQSA-N 445.471 5.346 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)Cc1ccc(Cl)cc1 1875127408 CIAXAKNSDIMCDZ-JLHYYAGUSA-N 436.891 5.401 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)Cc1ccc(OC)cc1 1875128937 BYPNFVLCQNKLER-DTQAZKPQSA-N 442.511 5.477 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3)c(Br)c2)c(C)c1 1875131966 XWLQEOCQBGJBJQ-FMIVXFBMSA-N 435.317 6.181 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)COCc1ccccc1 1875133466 VZVMYOHKZXWWKT-SDNWHVSQSA-N 446.499 5.031 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1[N+](=O)[O-] 1875174923 PRSXMBAYDDCHSB-FMIVXFBMSA-N 431.444 5.336 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)CCc1ccccc1 1875176908 QVSZFJANDXZZEN-RVDMUPIBSA-N 428.528 6.136 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1coc([C@@H](C)NC(=O)OC(C)(C)C)n1 1922110264 BGSZRMCJBBFGHE-NQIIRXRSSA-N 429.561 5.074 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 1922112503 NDKLVLKIVLKWJO-VWLOTQADSA-N 436.596 5.403 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)C1CC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1922126265 SHTCTRQQUYHWDK-XMMPIXPASA-N 442.644 5.555 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)[C@@H]2CCC[C@@H]21 1926553848 DPANYSOUPDFTFP-RNHFSVANSA-N 447.620 5.628 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 1943914681 CEXKEDOSUVTQLW-YADARESESA-N 435.609 5.676 30 10 IKEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2032553046 UDLUAWPDZFEOPT-KBMIEXCESA-N 449.636 5.876 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CC[C@H](CCNC(=O)OC(C)(C)C)C2)c1 2037231083 JAENMOYCAZLGJV-KBMIEXCESA-N 443.588 5.714 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2073117750 FZGLHDWZPMCVHG-AZUAARDMSA-N 443.588 5.664 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C[C@@H]1C1CC1 2073784203 XSRIVFPBIILJKW-NLFFAJNJSA-N 447.620 5.628 30 10 IKEE Cc1ccc([C@H](C(C)C)n2nc(C(C)C)c(/C=N/O)c2I)c(F)c1 2079052093 QMDKIUKGBRHJDZ-AAWXNRKFSA-N 443.304 5.112 30 10 IKEE N#Cc1cnc2c(-c3ccc(F)cc3Br)c(C3CCCCC3)nn2c1Cl 2081424054 UQAJQKWARHCOGQ-UHFFFAOYSA-N 433.712 5.871 30 10 IKEE C=CCCCCCCCCC[C@@H](CCCN(Cc1ccccc1)C(=O)OC(C)(C)C)NC 2086260665 BTJZVRZSNZHMST-SANMLTNESA-N 444.704 7.489 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(Br)ccc(Cl)c1F 2102885708 UXQYTPQEESZRFD-PBHICJAKSA-N 447.776 5.199 30 10 IKEE C=CC1(C[C@@H](NCC)c2ccc(I)c(Br)c2)CCC1 2111721944 MUMCUFBRJCBOAK-OAHLLOKOSA-N 434.159 5.451 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc2c1CCN(c1cc(Br)ccc1C#N)C2 2174815497 UHWCPMJRABPHKX-UHFFFAOYSA-N 428.330 5.230 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCCNC12CCCC2 2204349403 SCJKORBPJCDWMN-NRFANRHFSA-N 434.378 5.149 30 10 IKEE CCCCCCCC[C@@H](C(N)=O)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2207471503 XJHYJRJLQQAUAI-SFHVURJKSA-N 441.410 5.795 30 10 IKEE C=CCC1([C@@H](NCC)c2ccc(Br)cc2Cl)CN(C(=O)OC(C)(C)C)C1 2230370332 DLAAKARUVSHTDG-KRWDZBQOSA-N 443.813 5.566 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](Nc3ccc(Br)c(C#N)c3)CCC[C@H]2C1 2233774300 FMSYSZAEDGPOHK-YJLNNSPDSA-N 434.378 5.158 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)[C@@H](NC(=O)OC(C)(C)C)c1cccs1 2235734836 XZZMWJDFTQJIRW-PKOBYXMFSA-N 449.414 5.106 30 10 IKEE COc1ccc(C#CC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2Br)cc1 2237858726 IISXUKBAOIRSCO-UHFFFAOYSA-N 430.298 5.039 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cccc(Cl)c1Br 2259408587 QVZLBXNNJSJILF-DOTOQJQBSA-N 429.786 5.060 30 10 IKEE Cc1csc(C(=O)Nc2cccc(OCc3ccccc3)c2)c1B1OC(C)(C)C(C)(C)O1 2267513199 UFRDYQAXQXYTNC-UHFFFAOYSA-N 449.381 5.187 30 10 IKEE CC(C)(C)C#CC=CCC(=O)c1cc(Br)ccc1I 2268763939 WDZMEDBPXGKWEV-UHFFFAOYSA-N 431.111 5.232 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H](NC(=O)OC(C)(C)C)c1cccs1 2296217436 UMMHYNJRIPYOOY-MJGOQNOKSA-N 449.414 5.106 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H](C(C)C)N(C)C(=O)OC(C)(C)C 2296289205 PCXNJZKNCUPUHR-WOJBJXKFSA-N 437.422 5.060 30 10 IKEE O=C(C=Cc1ccc(COc2ccc3c(c2)CCC3)o1)c1ccc(Cc2ccccc2)s1 2297113943 KHGLPLOZAIJRQG-UHFFFAOYSA-N 440.564 6.896 30 10 IKEE COc1ccc([C@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 2297451407 QMPAZLQZGXTCEK-VWLOTQADSA-N 425.484 5.186 30 10 IKEE CC(C)(C)c1ccc(-c2nc3cc(N=CC=Cc4cccc([N+](=O)[O-])c4)ccc3o2)cc1 2297453804 VKSDRAQNEXCQDF-UHFFFAOYSA-N 425.488 7.116 30 10 IKEE O=C(C=CNc1cc(Cl)ccc1C(=O)c1ccccc1)c1ccc(Br)cc1 2297535324 NKXOXRMEJUIMEZ-UHFFFAOYSA-N 440.724 6.142 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2)cc1 2313669885 KMYDVOOPVXJAHJ-UHFFFAOYSA-N 437.948 5.976 30 10 IKEE COc1ccc(C(=O)COc2ccc3c(c2)OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)cc1 2314437892 ZQCKZNUOEYLLMP-UHFFFAOYSA-N 442.511 5.871 30 10 IKEE CCOc1ccc2c(c1)OC(=Cc1cccc(OCC)c1OC(=O)c1cccs1)C2=O 2314527160 HQRAJKXVFAPMDC-UHFFFAOYSA-N 436.485 5.381 30 10 IKEE CC(=C1SC(=Nc2ccncc2Cl)N(c2ccccc2)C1=O)c1ccc(C)c(C)c1 2314541898 DIOPCPDBUWLWHK-UHFFFAOYSA-N 433.964 6.551 30 10 IKEE CCN1C(=O)C(=Cc2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)SC1=Nc1cccnc1 2314542202 SVDAVDMSJIDYNU-UHFFFAOYSA-N 434.477 5.182 30 10 IKEE O=C1C(=Cc2ccccc2[N+](=O)[O-])SC(=Nc2ccncc2Cl)N1C1CCCCC1 2314542987 SCYBIPRBKFLNQC-UHFFFAOYSA-N 442.928 5.580 30 10 IKEE O=C(O)c1cccc(N=C2SC(=Cc3ccccc3Cl)C(=O)N2c2ccccc2)c1 2314548512 UKSLTILQCXEYEZ-UHFFFAOYSA-N 434.904 5.847 30 10 IKEE Cc1ccc(-c2csc(NN=Cc3ccc(OC(C)C)c(Br)c3)n2)cc1C 2318417806 GRKVZKVQSNMQRF-UHFFFAOYSA-N 444.398 6.423 30 10 IKEE Cc1sc(NN=Cc2ccc(OCc3ccccc3)c(Cl)c2)nc1-c1ccccc1 2318417944 KYYHNVDAGGXEOH-UHFFFAOYSA-N 433.964 6.797 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C)n2N=Cc2ccc(C(C)(C)C)cc2)cc1C 2321085986 QZRRBGQJWKTIBE-UHFFFAOYSA-N 435.597 5.114 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc4c3CN(Cc3ccc(OC(C)(C)C)cc3)CO4)C2=O)o1 2321908400 ZORVVXJTFDTXQY-UHFFFAOYSA-N 445.515 5.734 30 10 IKEE CCc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN([C@H](C)c2ccccc2)C4)cc1 2322092602 XJDKMUFMYACTTF-LJQANCHMSA-N 425.528 6.087 30 10 IKEE Sc1nnc(CCc2cccc3ccccc23)n1N=Cc1c(Cl)cccc1Cl 2322203185 HSMSITKIDINJHD-UHFFFAOYSA-N 427.360 5.694 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)c1OCc1ccc([N+](=O)[O-])cc1 2322687624 CBDJYIHTTKGRLC-UHFFFAOYSA-N 445.515 6.376 30 10 IKEE Cc1cc(OC(=O)c2cc3ccccc3o2)cc2c1C(=O)C(=Cc1ccc(N(C)C)cc1)O2 2322843399 AIFQGILJGOODSQ-UHFFFAOYSA-N 439.467 5.643 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccc(C)cc2)c2ccccc12 2323019058 QWFNFKGOJUVQPS-UHFFFAOYSA-N 442.942 7.285 30 10 IKEE COc1ccccc1C=C1Oc2cc(OC(=O)CCCOc3ccccc3)cc(C)c2C1=O 2323178113 KKPJBWQXURGDGA-UHFFFAOYSA-N 444.483 5.384 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OCC(=O)Nc1cccc(C)c1 2323302371 VWCKBCJGGISBFM-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1C 2323559931 WKAWXDBTXQOKHA-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)c4cccc(OC(C)C)c4)cc(C)c3C2=O)cc1 2323812544 WXOPECQTGADERA-UHFFFAOYSA-N 442.511 6.180 30 10 IKEE COc1cc(C=NNc2nc(-c3cccs3)c(C)s2)ccc1OCc1ccccc1 2323858333 IUJQEMPHLOMQPF-UHFFFAOYSA-N 435.574 6.214 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc(Cl)c2)c(Cl)c1)c1ccc2c(c1)OCCO2 2324035834 XAQIJTAMLDSGOE-UHFFFAOYSA-N 441.310 6.240 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OCc1cccc(Cl)c1 2324181931 VLWVHSRGZXWMBI-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(Cl)cc3Cl)n2)cc1 2324429943 BRBNKFYRRXWOSF-QGZVFWFLSA-N 429.328 6.015 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCCCCOc3ccccc3)ccc2C1=O 2324573658 DVAJVUYCASUIRZ-UHFFFAOYSA-N 430.500 5.940 30 10 IKEE COc1ccc(C=C2Oc3cc(OCCOc4ccc(Cl)cc4)cc(C)c3C2=O)cc1 2324666049 RASQIXKLHCDLMY-UHFFFAOYSA-N 436.891 5.731 30 10 IKEE COc1ccccc1C=C1Oc2cc(OCCOc3ccc(Cl)cc3)cc(C)c2C1=O 2324670238 FAELUXDHIGBCPA-UHFFFAOYSA-N 436.891 5.731 30 10 IKEE Cc1cc(OCCC(=O)OCCC(C)C)cc2c1C(=O)C(=Cc1ccc(C(C)C)cc1)O2 2325104118 KGQNOGLMBKYJMW-UHFFFAOYSA-N 436.548 6.093 30 10 IKEE CC(=O)c1cccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2sccc2C)C3=O)c1 2325384982 LWHIMPNQZNNFFB-UHFFFAOYSA-N 447.512 5.201 30 10 IKEE Cn1cc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2)c2ccccc21 2325485895 ODNLYMNOWYVILS-UHFFFAOYSA-N 437.572 5.535 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccc(OCCC)cc1 2325528763 ATQQFXKAFXDIIL-UHFFFAOYSA-N 436.625 6.201 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2cccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)c2)c1 2325690212 SWZXRUXAHGIWPB-UHFFFAOYSA-N 445.471 5.564 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(F)cc2)cc2c1C(=O)C(=CC=Cc1ccccc1)O2 2325728486 ILZIZUAQFMZOLS-UHFFFAOYSA-N 429.447 5.324 30 10 IKEE Cc1cc(OCC(=O)Nc2cccc(Cl)c2Cl)cc2c1C(=O)C(=Cc1ccco1)O2 2325734539 WAKRGCIKQQUAEU-UHFFFAOYSA-N 444.270 5.529 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(Cl)cc3Cl)c2)cc1 2325734990 FEOKBONQSKXJCE-UHFFFAOYSA-N 441.310 6.507 30 10 IKEE CCOc1cccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 2325746615 QNGXFFYZIBZENC-UHFFFAOYSA-N 428.528 6.498 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2cccc(OC(=O)c3ccc(F)cc3)c2)cc1Cl 2325766757 JMZLSNXVNMQXNB-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC)c3ccccc23)cc1OC(=O)c1ccncc1 2325775690 LQEGMECPBKHIMS-UHFFFAOYSA-N 439.467 5.367 30 10 IKEE N#Cc1cccc(C(=O)NC2CCC(OC(=O)C=Cc3ccc(Cl)cc3Cl)CC2)c1 2325871812 FISVBVXPVFGVBU-UHFFFAOYSA-N 443.330 5.163 30 10 IKEE C=C(C)CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1cccnc1 2326130535 ZVVHQAIWVHSKJF-UHFFFAOYSA-N 427.961 5.073 30 10 IKEE Cc1ccc(C)c(CSc2nncn2N=Cc2ccccc2OCc2ccccc2)c1 2326589162 FUQLOKLFPVONTN-UHFFFAOYSA-N 428.561 5.648 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3F)n2N=Cc2ccco2)cc1C 2328947900 XCNWZIRXGDQEKE-UHFFFAOYSA-N 434.540 5.587 30 10 IKEE Cc1ccc(CCc2nnc(SCCc3ccccc3)n2N=Cc2cccnc2)cc1C 2328957820 MCTSZOZWLPLSOS-UHFFFAOYSA-N 441.604 5.292 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3Cl)n2N=Cc2cccnc2)cc1C 2329430461 WCTJRGVPDYMEHG-UHFFFAOYSA-N 447.995 5.709 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccccc3Cl)n2N=Cc2ccccc2C)c1 2329577063 WFHNWGAKOISTCF-UHFFFAOYSA-N 447.007 6.698 30 10 IKEE CCCCOc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCC)cc1OCC 2330258943 CSAZKUAMPJBNIN-UHFFFAOYSA-N 444.645 5.973 30 10 IKEE C=C(C)CSc1nnc(CC2CCCCC2)n1N=Cc1ccc(OCC)c(OCC)c1 2330269919 XPCVCPMEGCYTCD-UHFFFAOYSA-N 442.629 5.749 30 10 IKEE COc1cc(C=NNC(=S)NC23CC4CC(CC(C4)C2)C3)ccc1OCc1ccccc1 2330453913 DHMTXQSIMMYRNY-UHFFFAOYSA-N 449.620 5.041 30 10 IKEE Cc1ccccc1CSc1nnc(-c2cccs2)n1N=Cc1c(F)cccc1Cl 2330538501 SKWPNGCDHOQGAL-UHFFFAOYSA-N 442.972 6.282 30 10 IKEE C[C@@H](C(=O)Oc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl)c1ccccc1 2330627519 NFDZACOUDLBWDO-MRXNPFEDSA-N 435.863 5.853 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3cccc(F)c3)nnc2-c2ccccc2)c1 2330649044 DORKPZQPTRYAKB-UHFFFAOYSA-N 446.551 6.048 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccccc3Cl)nnc2-c2ccccc2)c1 2330674805 LNZFMGDXGMYKEI-UHFFFAOYSA-N 434.952 5.782 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1OCC 2330690416 SWEORHUGUYRHRK-UHFFFAOYSA-N 440.967 6.609 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(N(C)C)cc3)c(Cl)c2)cc1 2330747597 MQOVULDENODYTD-UHFFFAOYSA-N 433.935 6.084 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)cc1 2330825734 WLGQDAHEOUNLOZ-UHFFFAOYSA-N 428.484 5.873 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2[N+](=O)[O-])c(Cl)c1)c1ccccc1Cl 2330920511 XBYUQEUZDBKKKK-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)ccc1OC(=O)c1ccc(OC)cc1 2330979814 UKNHKMPRRLGXSM-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE CCCCCCOc1ccc(C=Nn2c(SCCC)nnc2C2CCCC2)cc1OC 2331081582 FUNJYYLZAVXSQX-UHFFFAOYSA-N 444.645 6.288 30 10 IKEE Clc1ccc(CSc2nnc(C3CCCC3)n2N=Cc2ccccc2)cc1Cl 2331093048 CJYPACCPDRQRHY-UHFFFAOYSA-N 431.392 6.417 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c(Cl)c2)cc1 2331266174 VENXVUZWMMLBAA-UHFFFAOYSA-N 435.863 5.980 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3ccccc3Cl)nnc2C(C)(C)C)c1 2331397903 GEEUTNCROJPJMM-UHFFFAOYSA-N 428.989 5.802 30 10 IKEE CCOc1cccc(C=Nn2c(CC(C)C)nnc2SCc2cccc(Cl)c2)c1 2331470715 FSOCEOWMHGKDLW-UHFFFAOYSA-N 428.989 5.703 30 10 IKEE CC(C)Cc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccccc1C(=O)O 2331470957 ZYBWSNBODBURAX-UHFFFAOYSA-N 428.945 5.003 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1cccc(C)c1 2331503979 BUERMBGRMXIHJQ-UHFFFAOYSA-N 428.528 6.632 30 10 IKEE Cc1cc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2Cl)ccc1[N+](=O)[O-] 2331522861 KKWLNIBCYKUQLI-UHFFFAOYSA-N 439.826 5.811 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OC(=O)c1ccccc1 2331552448 FRSCKSQOJIWBPG-UHFFFAOYSA-N 444.527 6.117 30 10 IKEE C=CCSc1nnc(CCC)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2331657411 CWGUMXKVUNUNHH-UHFFFAOYSA-N 426.973 5.623 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)c1ccccc1C 2331767831 UGDOAYNDIKTTCE-UHFFFAOYSA-N 444.527 6.053 30 10 IKEE C=C1C[C@@]23CC[C@H]4[C@](C)(C(=O)O)[C@@H](OC(=O)C=Cc5ccccc5)CC[C@]4(C)[C@H]2CC[C@H]1C3 2333122823 BJQOPHXIKHSJOP-ITLPVQCISA-N 448.603 6.275 30 10 IKEE CC1(C)OB(c2ccc(COc3ccc(Cl)cc3F)cc2Br)OC1(C)C 2377305230 SQQARHLKHRQOAW-UHFFFAOYSA-N 441.533 5.120 30 10 IKEE C=CCc1ccccc1OCC(=O)Nc1scc(-c2ccc(C)cc2C)c1C(=O)OCC 2610049 IQUPUXQEIPMXKV-UHFFFAOYSA-N 449.572 5.955 30 10 IKEE CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N/c1ccc(-c2ccccc2)cc1 3019471 CVPFOUAZYJXPCJ-QPRJYHLLSA-N 443.597 6.348 30 10 IKEE C[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(F)cc1)[C@@H]2c1ccccc1 17094849 CNHLQALQXYBQFW-MRDQGFSESA-N 426.491 5.892 30 10 IKEE COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(O)c2)c1 20885930 SUFALLPTWOQKNW-SOKVYYICSA-N 442.515 5.389 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)CCSc2n[nH]c(N/N=C/c3ccc(C)cc3)n2)cc1 20908262 XKVHKRPMFWYVHV-SYXCRGJESA-N 436.585 5.194 30 10 IKEE CC(C)COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2)cc1 21237426 GPDIGEQEGAMAHS-KPURRNSFSA-N 438.571 6.701 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(F)c2)cc1 21252130 IEZURXSMVYEDMV-WINIVTDRSA-N 428.507 6.204 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OC(=O)N(c2ccccc2)c2ccccc2)cc1 34955757 SVCLXXKSDFWBAB-DYTRJAOYSA-N 449.506 6.928 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O)c1ccc(Br)cc1 39754401 VYBLWICTVSVRNF-UUYOSTAYSA-N 435.273 5.327 30 10 IKEE COc1ccccc1/C=C1\S/C(=N/c2cccc(C(=O)O)c2)N(C2CCCCC2)C1=O 39866807 VRMDYDMXZMXHDG-AULJNTNUSA-N 436.533 5.330 30 10 IKEE C=C(C)C(=O)NCCCCCc1nc2ccccc2n1CCOc1ccc(C(C)(C)C)cc1 40219792 WLGMDDVVLLPWCP-UHFFFAOYSA-N 447.623 5.818 30 10 IKEE CCCCOc1ccc(C(=O)/N=C(\NCc2ccncc2)Nc2ccc(C)c(C)c2)cc1 45940329 GYDXSLGWQHMPBK-UHFFFAOYSA-N 430.552 5.275 30 10 IKEE CCCCSc1ccccc1NC(=O)CSc1n[nH]c(N/N=C(\C)CCCC)n1 59891020 YGNNIQVJEDWAFM-HZHRSRAPSA-N 434.635 5.406 30 10 IKEE CCCCOc1ccc(/C=N/Nc2nnc3c4ccccc4n(CCC)c3n2)cc1OC 64981363 COZRHFJKHJDSBN-PCLIKHOPSA-N 432.528 5.023 30 10 IKEE C=C(C)COc1ccccc1NCC(=O)Nc1cccc(NC(=O)CCc2ccccc2)c1 66062904 QKAQNHYTSJJBCP-UHFFFAOYSA-N 443.547 5.263 30 10 IKEE CCCCCCCCCCCCCCCCNCC(=O)Nc1ccc(NC(C)=O)cc1 100055437 MZLRGPZEMFOJDI-UHFFFAOYSA-N 431.665 6.654 30 10 IKEE CC1(C)CC(=O)C([C@@H](C2=C(O)CC(C)(C)CC2=O)c2ccc(-c3ccccc3)cc2)C(=O)C1 100133304 GRWOLWSIKOETCR-VWLOTQADSA-N 444.571 6.213 30 10 IKEE CCCCCCCCCCCCCCCCCCC[C@H](O)CCCCCC[C@H](O)CC 100308027 AZCAOVQLYUGFIV-WDYNHAJCSA-N 440.797 9.501 30 10 IKEE CCCCCOc1ccc(/C=C2/CC/C(=C\c3ccc(OCCCCC)cc3)C2=O)cc1 104376418 LQPOYLDVQBSJKO-KOUJMYIZSA-N 432.604 7.655 30 10 IKEE CCCCCCCCCC[C@H](NN)c1cc(Br)c(Br)s1 122698292 JCDCKAQOCATSGK-ZDUSSCGKSA-N 426.262 6.308 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccc(OC)cc2)cc1 169924960 BCLULTCTSMLSHS-RUZDIDTESA-N 441.527 5.657 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccc(O)cc2)c(C)c1 169962936 BOYXLVCGYJJEOF-DEOSSOPVSA-N 427.500 5.409 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc(C)c2)c1 169966506 GCKGJHQNLFHIHB-XMMPIXPASA-N 427.500 5.485 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@@H]2c2cccc(C)c2)cc1 169968917 PGXZEHFQITVJFD-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2cccc(C)c2)c1 169970031 JEQAXXUUOXVMIS-HSZRJFAPSA-N 447.918 5.830 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2cccs2)c1 169981852 XUGSYNVPXIHVEF-OAQYLSRUSA-N 437.492 5.377 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1cccnc1 170005915 AYIWAMQZWQYLHH-QFIPXVFZSA-N 443.890 5.308 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccccc2)cc1 170048875 BVELLJZYUBWGNL-HSZRJFAPSA-N 442.471 5.501 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 170052304 AWCDOCQPAPTAJU-NRFANRHFSA-N 448.862 5.340 30 10 IKEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1sccc1C 170107442 VLVAIZKZBGWDKD-JOCHJYFZSA-N 448.588 5.130 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1cccc(OC)c1 170120847 DPVUNGFEFZOHCY-HSZRJFAPSA-N 437.536 5.027 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCOC(C)C)c1 170148159 AVTLHLHZDXMDSC-HSZRJFAPSA-N 433.504 5.135 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@H]1c1ccc(OC(C)C)cc1 170152441 ZDXVEEMETQXNSR-OAQYLSRUSA-N 443.927 5.124 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cccs1 170166459 BMUJEQMFFYCCGI-NRFANRHFSA-N 439.577 5.575 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCC)cc1 170216040 MCFYKZLTSDKWOI-NRFANRHFSA-N 427.928 5.507 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(Cl)cc2)cc1C 170237128 QHSZXSGGJROMLK-JOCHJYFZSA-N 439.939 5.568 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@@H]1c1ccc(F)cc1 170243738 QZPWQNBQZOLVGU-NRFANRHFSA-N 445.918 5.646 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCO3)=C(O)C(=O)N1C1CCCCC1 170275532 JGUMATGITABQQU-XMMPIXPASA-N 431.532 5.231 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccco1 170288044 NVYWJJCVIQWZBP-QHCPKHFHSA-N 425.440 5.224 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC(C)C)c3)[C@H]2c2ccc(C)o2)cc1 170303718 TUUHUGWTFSUMEK-XMMPIXPASA-N 445.515 5.714 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(C)o2)c1 170305070 KALJBJQTFOPINP-HSZRJFAPSA-N 442.471 5.031 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2c(C)[nH]c3ccccc23)cc1 170403512 LZXKQSJYDBJDEJ-HSZRJFAPSA-N 442.540 5.883 30 10 IKEE Cc1[nH]c2ccccc2c1[C@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1ccc(Cl)cc1 170404463 XNSBAEUMOAVBDI-QHCPKHFHSA-N 442.902 5.913 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(CCOC(C)C)[C@@H]1c1cccc(Oc2ccccc2)c1 170455632 IAVYKSRDOVHCIU-XMMPIXPASA-N 437.536 5.215 30 10 IKEE CCOc1cccc(CN2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)c1 170471931 KFUAVOSPQAKMQP-HSZRJFAPSA-N 449.591 5.894 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1ccc2ccccc2c1 253575205 UHXYUABSIMBEMW-UHFFFAOYSA-N 430.533 5.024 30 10 IKEE FC(F)(F)c1ccc(N2CCOCC2)c(N=Cc2c3ccccc3cc3ccccc23)c1 254372223 PHVFCCJVZAZPHX-UHFFFAOYSA-N 434.461 6.599 30 10 IKEE COc1cc([N+](=O)[O-])cc(C=Nc2ccc3nc(-c4ccc(C(C)(C)C)cc4)oc3c2)c1O 254449474 RKWVZYUNCHIDHO-UHFFFAOYSA-N 445.475 6.165 30 10 IKEE CCN1C(=O)/C(=C2/Sc3ccccc3N2C)SC1=Nc1ccccc1-c1ccccc1 254506309 UZRPAGIHXDKHQS-VUQCETKJSA-N 443.597 6.348 30 10 IKEE CCC(N=Nc1ccc([N+](=O)[O-])cc1O)=N/N=c1\[nH]c2ccccc2n1Cc1ccccc1 254865597 HHXQGKWNHWLSFT-UHFFFAOYSA-N 443.467 5.040 30 10 IKEE COc1cc(/C=C2\SC(=Nc3ccc(C)cc3)N(CCc3ccccc3)C2=O)ccc1C 254871172 PQVSWPBQFGSBKC-SBEYKLCGSA-N 442.584 6.159 30 10 IKEE CSc1cccc(Nc2ccc(I)c(Br)c2)c1C#N 311669936 ZRQVQKRAMNHHKK-UHFFFAOYSA-N 445.123 5.391 30 10 IKEE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2cccc(C#N)c2)[C@H]1c1sccc1C 526523386 WENRPPYZKMZCLU-OAQYLSRUSA-N 446.528 5.393 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(C)o2)cc1OC 526605500 QVCBKJWMPGTHPA-XMMPIXPASA-N 444.487 5.314 30 10 IKEE Cc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1c(O)ccc2ccccc12 526805389 JIGWZLSTDCUGFY-YSMPRRRNSA-N 430.577 5.917 30 10 IKEE CCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1ccc(C(C)C)cc1 526805785 LGTJIGNLXAMVFJ-PKAZHMFMSA-N 434.653 6.826 30 10 IKEE CCOc1c(/C=N\n2c(CC)nnc2SCc2ccc(Cl)cc2)cccc1OC 526806991 BKDGUXJBXXJPDL-QRVIBDJDSA-N 430.961 5.076 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1cn(CC)c2ccccc12 526808903 QVBUZIIPQOWQMQ-QQXSKIMKSA-N 431.609 6.078 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1ccc(OC)c(O)c1Cl 526809770 TXDJFGYYNJBYEO-MSXFZWOLSA-N 444.988 5.390 30 10 IKEE CCCOc1ccc(/C=N\n2c(C)nnc2SCc2cc(C)ccc2C)cc1[N+](=O)[O-] 526818326 CRNNZDUTCSIXJX-QRVIBDJDSA-N 439.541 5.075 30 10 IKEE N#Cc1ccc(C(=O)N(Cc2ccccn2)c2nc3c(C(F)(F)F)cccc3s2)cc1 585168773 SQRKXQJKPMPXBL-UHFFFAOYSA-N 438.434 5.429 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCN(C(=O)OC(C)(C)C)[C@H]2C)c1 698426830 FYPWWQFRAOCFQI-XDHUDOTRSA-N 445.560 5.118 30 10 IKEE CC[C@](C#N)(C1CN(C(=O)OC(C)(C)C)C1)N(C(=O)OC(C)(C)C)c1cccc(F)c1 716139866 YKAFAUACQVVFCI-QHCPKHFHSA-N 433.524 5.106 30 10 IKEE Fc1ccc(C=Nc2ccc3nc(SCc4cc(Cl)ccc4Cl)sc3c2)cc1 1084014035 TZRXXKSCJKLLOI-UHFFFAOYSA-N 447.387 7.785 30 10 IKEE CCCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)c(C)s1)Cc1ccc(C#N)cc1 1307413621 CDMHEEOLPKJMNP-UHFFFAOYSA-N 438.984 5.494 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(C)cc2)SC1=Nc1nccs1 1772733963 LWXLFSFIVXAOIY-POLMPROESA-N 447.585 5.821 30 10 IKEE CCc1ccc(OCCCSc2nc(O)c(C#N)c(-c3cccc(Cl)c3)n2)cc1 1860466507 XEUAOOFCSGSUBI-UHFFFAOYSA-N 425.941 5.498 30 10 IKEE CCCCCCCCNC(=O)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 1861835469 MLPXGXBQSPKORF-NRFANRHFSA-N 445.947 5.196 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1cccc(Cl)c1 1862403154 PEDSFOYSUMPLLK-JOCHJYFZSA-N 441.955 5.816 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 1862448053 DSRQJABJZNCPJL-HXUWFJFHSA-N 440.883 5.159 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862451119 XGMVKLRHVBARMG-SFHVURJKSA-N 437.845 5.593 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc2c(c1)OCCO2 1862494960 RVMSLEFFXRKYKJ-DEOSSOPVSA-N 449.547 5.233 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2cccc(F)c2)cc1 1862501559 FROFBUMQYQITFL-QHCPKHFHSA-N 433.454 5.360 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)c1 1862501678 IGCGFCVFSRIPDF-VSUDMRMVSA-N 437.511 5.300 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2cccc(OC)c2)cc1 1862529340 DXXGUPHDPJGYIA-RUZDIDTESA-N 445.559 5.726 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccc(C)cc2)cc1 1862535131 ZZKMLRLCICIZPF-VWLOTQADSA-N 443.518 5.518 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 1862535934 NCCGFUKWHUVKJA-DEOSSOPVSA-N 445.946 5.723 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1cccc2ccccc12 1862560550 FYRJAXMBYAIORT-QYBDOPJKSA-N 448.522 5.762 30 10 IKEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2ccc(C)cc2)cc1 1862589395 KOSYLIMGSAHDGK-MZNJEOGPSA-N 443.499 5.049 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cc(Cl)cc(Cl)c1)c1cccc(O)c1 1862597836 MZHVECDEGBBURS-HXUWFJFHSA-N 446.330 5.610 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc2cc[nH]c2c1 1862660824 NDAFTWUOOWTTDK-DEOSSOPVSA-N 446.547 5.296 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CCCC2)cc1 1862665224 BRQJWVZFSSBLDN-DEOSSOPVSA-N 433.548 5.730 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(N(CC)CC)cc1 1862668278 VGVZGTNFAOGPSX-RUZDIDTESA-N 448.607 6.035 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862691185 IXVPLAHIQHNDOW-XMMPIXPASA-N 444.531 5.478 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2cccc(Cl)c2)c1 1862700560 JIIADLJWEYGNLY-HJPURHCSSA-N 447.918 5.688 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(O)cc1)c1ccc(-c2ccccc2)cc1 1862722630 WDJIUCPHUJNCOF-RUZDIDTESA-N 439.511 5.580 30 10 IKEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2cccc(C)c2)cc1 1862732567 ITPUYVVRWRTBCY-VWLOTQADSA-N 449.591 6.333 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3cccc4c3CCCC4)C2=O)cc1C 1862884447 OHSPTSDLUFWGFO-UHFFFAOYSA-N 447.538 5.451 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccccc2F)C1=O 1862924416 NBJCOSRGJYDTFW-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3cccc4ccccc34)C2=O)c1 1863025680 AJPFHQPGLUHUTM-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(C)ccc2C)=C(c2c[nH]c3ccccc23)C1=O 1863489672 WQTMDYHRFGTXBE-UHFFFAOYSA-N 443.591 6.337 30 10 IKEE CCCCCCCCNC1=C(c2ccc(C)c(C)c2)C(=O)N(CCc2cccs2)C1=O 1863609324 QIHSAXWPZGCGJR-UHFFFAOYSA-N 438.637 5.638 30 10 IKEE CCCCCCCCCCNC1=C(c2cccs2)C(=O)N(Cc2ccccc2F)C1=O 1863803287 ZRKDNLNRQLLBBF-UHFFFAOYSA-N 442.600 5.898 30 10 IKEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CC(C)C)[C@H]1c1ccccc1 1863990936 KMBFFNWRTNZOER-JOCHJYFZSA-N 438.616 5.019 30 10 IKEE O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(NC(=O)C(F)(F)F)cc1 1866037545 YEZZYXJBSDSTEE-UHFFFAOYSA-N 444.253 5.477 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N1CCC[C@H]1CCC(=O)OCC 1866342513 NXEONXOTTRFRPN-VWLOTQADSA-N 437.709 7.582 30 10 IKEE CCc1nc(Nc2ccccc2C#N)cc(N2CCC(Oc3cccc(Cl)c3)CC2)n1 1868286400 HOCBNBRPDFBYPD-UHFFFAOYSA-N 433.943 5.355 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2C)c(CSc2ccccn2)cc1=O 1870251667 PPGFHLWSAADMCA-UHFFFAOYSA-N 436.621 6.242 30 10 IKEE CCCCCCCCn1cc(OCC)c(=O)cc1CNc1ccc(N2CCCC2)cc1 1870788274 FUGDEYJPNQYCHR-UHFFFAOYSA-N 425.617 5.820 30 10 IKEE CCCCCCCOc1cn(Cc2ccncc2)c(CNc2ccccc2C(C)C)cc1=O 1870836100 ORNDEXPAQLKVRQ-UHFFFAOYSA-N 447.623 6.376 30 10 IKEE CCCCCCCCCCn1cc(OC)c(=O)cc1CNc1ccc(Cl)c(Cl)c1 1870998321 SPKBNZXCLPKORT-UHFFFAOYSA-N 439.427 6.917 30 10 IKEE Cc1ccc(C)c(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2Cc2ccccc2)c1 1871251911 BWXPXFIDSOONQD-UHFFFAOYSA-N 449.554 5.576 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccccc1)O3)CN(C[C@@H](O)c1ccc(Cl)cc1)CO2 1871353017 LRXZGYNEWYATHW-IVZMSFFOSA-N 447.918 5.150 30 10 IKEE COc1ccccc1/C=C1\Oc2c(ccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2C)C1=O 1871373987 YSROSLHHCSQBGI-XKZIYDEJSA-N 445.427 5.056 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccs2)C3=O)cc1 1871389368 RWQWBUGYHDVOBH-MOSHPQCFSA-N 434.469 5.207 30 10 IKEE Cc1cc(O)c(CN2CCC(Cc3ccccc3)CC2)c2c1C(=O)/C(=C/c1cccnc1)O2 1871395262 MJGFAIHMODEQBB-XYGWBWBKSA-N 440.543 5.167 30 10 IKEE Cc1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)c1C 1871413648 MFFLCKBLBYBUHE-ZKDCOOFMSA-N 447.918 5.979 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccc(C)cc4C)c3C)C2=O)cc1 1871418728 JWECIEHXHWPACV-MYYYXRDXSA-N 441.527 5.808 30 10 IKEE CCCCCCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(OCC)cc1)C2=O 1871421801 LSZHUMVDKMCIBW-HAHDFKILSA-N 438.520 5.512 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)ccc3C2=O)o1 1871457870 COVASPLCTZMWSZ-JMIUGGIZSA-N 444.270 5.529 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)c1 1871460672 YXBJUEPDBUNBBG-FMCGGJTJSA-N 447.918 5.899 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(Cl)cc1C)c1ccccc1)S(=O)(=O)CCCC 1872506073 LFMONOWXJQRNMG-QFIPXVFZSA-N 449.016 5.336 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(F)cc1 1872530364 WXZOMGVTYSLLNM-HSZRJFAPSA-N 446.588 5.207 30 10 IKEE CC(C)c1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(Br)c3)n2)cc1 1872775597 VCOKEIQJZXILGG-GOSISDBHSA-N 425.351 6.186 30 10 IKEE N#C[C@H](C(=O)Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc(F)cc2)cs1 1872775805 AWEAITUVWBTUJK-HSZRJFAPSA-N 442.515 5.947 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc1OC 1872786446 KMGRYNKNIDHQBI-FHVRUZERSA-N 446.572 6.032 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)Cc3cc(Cl)ccc3Cl)n2)cc1C 1872787606 NLZUKASRUMIZQT-KRWDZBQOSA-N 445.371 6.161 30 10 IKEE CCCCCCCCNC(=O)c1cc2c(N(CCC)CCC)ncnc2n1CC(C)C 1873579309 NLQVEQOJAARZTA-UHFFFAOYSA-N 429.653 5.804 30 10 IKEE CCCCCCCCNC(=O)[C@@H]1c2ccccc2C(=O)N([C@H](C)CC)C12CCCCC2 1873885954 ATADWCIECKWOOK-QPPBQGQZSA-N 426.645 6.204 30 10 IKEE CCOc1ccc(/C=N/n2c(Cc3cccc4ccccc34)nnc2SC)cc1OCC 1874268259 OSTIJTYFLMKIKX-YZSQISJMSA-N 446.576 5.424 30 10 IKEE C=CCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc(C(C)C)cc1 1874279760 RKGXCKJIIOWNPA-PCLIKHOPSA-N 425.001 6.000 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3C)n2/N=C/c2ccncc2)cc1C 1874328715 CAZYQDDOVJSTLR-OGLMXYFKSA-N 441.604 5.558 30 10 IKEE Fc1cccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccccc2F)c1 1874407335 RDLCAPWISNIRMH-CVKSISIWSA-N 426.536 5.854 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3cccs3)n2/N=C/c2cccc(Cl)c2)c1 1874422272 DCDMMYYEWKIDLJ-ZMOGYAJESA-N 439.009 6.451 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2-c2ccccc2)c(F)c1 1874429644 TVXSVGBFUJUADF-LGJNPRDNSA-N 440.906 6.051 30 10 IKEE COc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2cccc(C)c2)c(OC)c1 1874437722 PKPUTTCTBJGDBG-MFKUBSTISA-N 438.597 5.367 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2ccc(F)cc2)nnc1[C@@H]1CCCO1 1874443252 XDQKNRHNRHFTBL-XAOCGEIJSA-N 438.528 5.008 30 10 IKEE Fc1ccccc1CSc1nnc(C(F)(F)F)n1/N=C/c1cccc2ccccc12 1874461561 UEYYGQAOEQCKCE-RPPGKUMJSA-N 430.430 5.764 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1/N=C/c1ccc(Cl)cc1 1874477811 IMCDXLLTFPUPSQ-ZVHZXABRSA-N 441.988 5.196 30 10 IKEE CCc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2ccc(Cl)cc2Cl)cc1 1874492295 HKUGANDHYZKVOH-DHRITJCHSA-N 447.435 6.520 30 10 IKEE Clc1ccc(COc2ccc(/C=N/n3cnnc3SCCc3ccccc3)cc2)cc1 1874538689 RLOCPPURHWBLJC-JVWAILMASA-N 448.979 5.728 30 10 IKEE FC(F)(F)c1ccc(/C=N/n2cnnc2SCc2ccc(Cl)cc2Cl)cc1 1874540704 WRCTYGGAVKNXLU-KTZMUZOWSA-N 431.270 5.778 30 10 IKEE Sc1nnc(C2CCC2)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 1874559248 GMYCMGZSMYKMNP-FOKLQQMPSA-N 433.364 5.602 30 10 IKEE Cc1ccc(OCc2nnc(S)n2/N=C/c2cccc(Oc3ccccc3)c2)c(C)c1 1874562977 CZLOXCJPRFAWQC-MFKUBSTISA-N 430.533 5.437 30 10 IKEE CCc1ccc(NC(=O)COc2c(/C=C/C(=O)c3cccc(Cl)c3)cccc2OC)cc1 1874577206 BZAIQGSDPXFGRQ-NTCAYCPXSA-N 449.934 5.825 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cc(Cl)ccc2OCc2cc(C)ccc2C)cc1C 1874591258 ALRVKGRLKKHKLD-CSKARUKUSA-N 434.963 7.057 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc1OCCc1ccccc1 1874598374 JKAWCFAKMNNQHN-ACCUITESSA-N 444.571 6.653 30 10 IKEE C=C(C)COc1c(Br)cc(/C=C/C(=O)c2ccc(OC)cc2OC)cc1OC 1874632364 FOWPXQIKRQIGBM-RMKNXTFCSA-N 447.325 5.326 30 10 IKEE Cc1ccccc1COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1[N+](=O)[O-] 1874635444 OCODQZGYVGKDLQ-SDNWHVSQSA-N 443.543 6.984 30 10 IKEE COc1cccc(C(=O)/C=C/c2cccc(OC(=O)C(c3ccccc3)c3ccccc3)c2)c1 1874694931 BQCLZIMSYPNSRD-VHEBQXMUSA-N 448.518 6.329 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3c(F)cccc3Cl)c2)cc1 1874702330 YDWMQRCXPMXNLJ-NTEUORMPSA-N 438.882 6.383 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OC(=O)CCCOc1ccccc1 1874709512 FHADMAVIHLLXFK-OQLLNIDSSA-N 434.463 5.495 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(-c4ccccc4)cc3)cc2)c1 1875080560 NOSBCOLGFHYGBJ-XDHOZWIPSA-N 446.546 7.015 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3ccc(Cl)cc3)cc2)cc1 1875099854 BVNKAGIXRTUJKS-GIJQJNRQSA-N 448.946 6.563 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(F)c3)c(OC)c2)cc1 1875107659 CFAREBQLZRKYJS-RVDMUPIBSA-N 432.491 6.292 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)c2c(F)cccc2Cl)c(Cl)c1 1875118732 LLJVQMMLDNMAFL-PKNBQFBNSA-N 445.273 6.256 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)Cc2ccc(F)c(C)c2)c([N+](=O)[O-])c1 1875118845 RGNLGKLASARROP-DHZHZOJOSA-N 449.434 5.095 30 10 IKEE CC(C)COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3F)cc2)cc1 1875120193 HHOYOPNFNNFSBF-LHHJGKSTSA-N 436.454 6.115 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)c(F)c3)c(OC)c2)cc1 1875131482 ZZSZUMJASBIAMP-UUILKARUSA-N 438.426 5.487 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1ccc(C)c(C)c1 1875145635 QEJGJAWQECPDPV-FMIVXFBMSA-N 444.527 6.134 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cc(C)ccc3C)c(OC)c2)cc1F 1875153713 UKJOSOAFDRLMGL-JXMROGBWSA-N 448.490 5.504 30 10 IKEE C[C@H](C(=O)Oc1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1)c1ccccc1 1875165542 NFSOGOSMXFVAPU-AMUNLKFJSA-N 448.518 7.084 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2[N+](=O)[O-])cc1C 1875174800 JFYWQUTZHGYVFX-DHZHZOJOSA-N 443.499 5.873 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)CSc1ccccc1 1875177215 ZZKWFBZGBADKPY-SDNWHVSQSA-N 446.568 6.296 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)Cc1ccccc1 1875185592 GKBGBKUDZJSORR-NTCAYCPXSA-N 442.555 6.345 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)ccc1OC(=O)c1ccncc1 1875193588 QQFCEKVMOSVNQD-QPJJXVBHSA-N 437.879 5.258 30 10 IKEE C[C@@H](C(=O)N1CCC(COc2ncccc2C#N)CC1)c1ccc(-c2ccccc2)c(F)c1 1891452270 VSZBYCREJYMKKH-LJQANCHMSA-N 443.522 5.180 30 10 IKEE CCN(CC)c1cccc(OCC#CCNC(=O)c2sc3ccc(Cl)cc3c2C)c1 1891515222 BKOTVKAXDACCSV-UHFFFAOYSA-N 440.996 5.522 30 10 IKEE C#CCCCCC(C)(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1951920468 DEAPRDDAUHWSFD-XMMPIXPASA-N 433.548 5.588 30 10 IKEE CC(C)(C)OC(=O)N1CCC(C[C@@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)CC1 2000206011 RUDNYBBLWLETHE-SFHVURJKSA-N 449.617 5.415 30 10 IKEE CC(C)(C)OC(=O)NCC[C@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C1 2038869258 LUDIZAGTJNACMF-KBMIEXCESA-N 443.588 5.795 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)cc(Br)c1)NC 2047965565 QYIYYAYAWPSRGI-IRXDYDNUSA-N 431.802 5.093 30 10 IKEE CCc1nn([C@@H](c2ccc(SC)cc2)C2CCC2)c(I)c1C#N 2080102418 SURADJARLOXFMH-QGZVFWFLSA-N 437.350 5.033 30 10 IKEE CC(C)c1cc(C(F)(F)F)ccc1-n1nc(C(F)(F)F)c(C#N)c1Br 2080325628 CWDWCUYGSUJKPF-UHFFFAOYSA-N 426.158 5.667 30 10 IKEE Fc1c(-c2cc(Cl)n3nc(C(F)(F)F)c(C4CCC4)c3n2)cccc1C(F)(F)F 2081196695 KOEXOQWNIOJEGI-UHFFFAOYSA-N 437.746 6.494 30 10 IKEE C#C[C@H](NCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C1CCCC1 2083597075 DQZXGJXZPZHRBS-MHZLTWQESA-N 425.572 6.126 30 10 IKEE C=CCCCCCCCCC[C@H](O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2086263882 MLZBZGOHFBGXTA-VJTSUQJLSA-N 447.660 6.543 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CC1)CC(Nc1ccc(C#N)c(Br)c1F)C2 2162329122 IRPYEBSEWKBNQC-UHFFFAOYSA-N 438.341 5.051 30 10 IKEE CC(C)(C)OC(=O)NC[C@H](Nc1ccc(C#N)c(Br)c1F)c1ccccc1 2179675224 YDSCTPKICQIERP-INIZCTEOSA-N 434.309 5.138 30 10 IKEE COc1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)ccc1Br 2192144708 PZLDJVFQSDPZGZ-QGZVFWFLSA-N 435.293 5.603 30 10 IKEE C=CCCCCCC[C@H](N)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237406493 DSDQEPBRVKHWOG-PMACEKPBSA-N 439.438 5.739 30 10 IKEE CC(C)[C@@H](C)N(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2247822761 IXKMJPGISJPJRJ-MRXNPFEDSA-N 447.837 5.388 30 10 IKEE CCN[C@@H](CC#CC1CCCC1)c1ccc(Br)cc1I 2289860696 XTKXBYCGEXEGES-KRWDZBQOSA-N 446.170 5.288 30 10 IKEE CCN1C(=O)C(=CC=C2Sc3ccc(Cl)cc3N2C)SC1=Nc1ccc(C)cc1 2297507290 BIQLHQXSNLNOFX-UHFFFAOYSA-N 442.009 6.199 30 10 IKEE Cc1cccc(N=C2SC(=Cc3c(F)cccc3Cl)C(=O)N2C2CCCCC2)n1 2314540553 SMRNZNHFWJLGLA-UHFFFAOYSA-N 429.948 6.119 30 10 IKEE COc1cccc(C(C)=C2SC(=Nc3ccncc3Cl)N(c3ccccc3)C2=O)c1 2314542552 LWENSRHDYAKCJA-UHFFFAOYSA-N 435.936 5.942 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(-c3cccc(Cl)c3)o2)SC1=Nc1nc(C)cs1 2314543508 FWKRUEOQXQFMJL-UHFFFAOYSA-N 441.965 6.155 30 10 IKEE COc1ccc(N=C2SC(=CC=Cc3ccco3)C(=O)N2c2ccc(OC)cc2)cc1 2314600090 DDPDOTMKVXESKA-UHFFFAOYSA-N 432.501 5.662 30 10 IKEE CCN[C@H](C#C[C@H](OC)C1CCCC1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2320502555 KAYPHDXNNSGENQ-DQEYMECFSA-N 442.644 5.391 30 10 IKEE Cc1cc(OCC=Cc2ccccc2)cc2c1C(=O)C(=Cc1cccc(Br)c1)O2 2321813880 WHAOPGWVQJNNTC-UHFFFAOYSA-N 447.328 6.466 30 10 IKEE Cc1c(OCc2ccc(F)cc2Cl)ccc2c1OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2321863009 LRQPCKWADGEHJV-UHFFFAOYSA-N 439.826 5.891 30 10 IKEE C=Cc1ccc(COc2cc(C)c3c(c2)OC(=Cc2cc(OC)ccc2OC)C3=O)cc1 2321869594 QMVULKBKAHFTDJ-UHFFFAOYSA-N 428.484 5.850 30 10 IKEE C=Cc1ccc(COc2cc(C)c3c(c2)OC(=Cc2ccc(N(CC)CC)cc2)C3=O)cc1 2321876538 ZJHOTVXDFHHKAD-UHFFFAOYSA-N 439.555 6.679 30 10 IKEE CCc1ccc([C@@H](C)N2COc3ccc4c(c3C2)OC(=Cc2ccc(Cl)cc2)C4=O)cc1 2322259946 MJNDVOYCOXERAS-QGZVFWFLSA-N 445.946 6.432 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc2c(c1C)OC(=Cc1ccc(Cl)cc1Cl)C2=O 2322684190 ILXWZYUSRQKPIN-UHFFFAOYSA-N 439.294 6.446 30 10 IKEE CCOC(=O)c1ccc(COc2c(C=CC(=O)c3ccc(C(C)C)cc3)cccc2OC)o1 2322738155 ZQRYXRLUGPTBQM-UHFFFAOYSA-N 448.515 6.063 30 10 IKEE CC(C)c1ccc(C=C2Oc3cc(OC(=O)C=Cc4ccc(F)cc4)ccc3C2=O)cc1 2323044101 PSLWMWPMJFWWIA-UHFFFAOYSA-N 428.459 6.184 30 10 IKEE C=C(C)COc1c(OC)ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)c1Br 2323098161 KPEKHZQOSZPVSN-UHFFFAOYSA-N 432.270 5.217 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(=O)CCc4ccc(Cl)cc4)ccc3C2=O)c1 2323101860 ORXJUKYSXYQCAC-UHFFFAOYSA-N 434.875 5.503 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3cc(C)cc(C)c3)c2)cc1Cl 2323310235 FMJQYVLZMLPBII-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC)c(OCc3cc(C)ccc3C)c2)cc1C 2323310740 KYVNWLZPURVLNX-UHFFFAOYSA-N 430.544 6.413 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OC(=O)c4c(F)cccc4Cl)c3C)C2=O)cc1 2323353770 LAHDTBPZYBMMEC-UHFFFAOYSA-N 438.838 5.632 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccc(OCC)cc2)cc1Cl 2323831468 RNWXWBRQAGVLRM-UHFFFAOYSA-N 443.971 5.662 30 10 IKEE CCOc1cc(C=C2CN(Cc3ccccc3)CCC2=O)cc(Cl)c1OCC(C)C 2323865979 BSQZFUSEGJQLPM-UHFFFAOYSA-N 427.972 5.632 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)cc(Cl)c1OCc1ccccc1 2324035103 CVLLZDQPVUAGHR-UHFFFAOYSA-N 436.891 5.595 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1F 2324107338 IMWOTOWQWJGKBP-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE C=C(C)COc1c(Br)cc(C=CC(=O)c2ccc(OC)c(F)c2)cc1OC 2324120305 WEQPXGXHOUJJEM-UHFFFAOYSA-N 435.289 5.456 30 10 IKEE Cc1cc(O)c(CN2CCOc3ccccc32)c2c1C(=O)C(=Cc1ccc(Cl)cc1)O2 2324155950 WORMWHKHWIJPHK-UHFFFAOYSA-N 433.891 5.369 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OCC(=O)Nc1cccc(C)c1C 2324197362 WQWMONYEOFXFDU-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE CCCCOC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc(N(CC)CC)cc1)C2=O 2324304713 ARNNNFWNHQXBOB-UHFFFAOYSA-N 437.536 5.180 30 10 IKEE Cc1c(OCCCOc2ccc(Cl)cc2)ccc2c1OC(=CC=Cc1ccccc1)C2=O 2324561298 IAWHFEMLNPYHQP-UHFFFAOYSA-N 446.930 6.669 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1cn(C)c2ccccc12 2325572024 AEDJJYGFSFMTQN-UHFFFAOYSA-N 441.963 5.689 30 10 IKEE O=C(C=Cc1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 2325669512 OLNPVVDFUMTKLH-UHFFFAOYSA-N 436.851 5.048 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1OC(=O)c1ccccc1Cl 2325690291 ICPJUKWGKUPVDE-UHFFFAOYSA-N 442.898 6.617 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)[C@@H](C)c3ccccc3)c2)cc1C 2325713793 UVDPXOOSIASQAS-IBGZPJMESA-N 430.500 5.617 30 10 IKEE Cc1cc(Cl)ccc1NC(=O)COc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O 2325716262 MVGXSGOAYDXTTQ-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE COc1ccccc1C(=O)C=Cc1cccc(OC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)c1 2325724720 QVMYUKUTPHYMRA-YADHBBJMSA-N 432.903 5.954 30 10 IKEE Cc1ccc(C)c(OCC(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)OCO4)c2)c1C 2325747474 IXBNFDIMXZNLHN-UHFFFAOYSA-N 444.483 5.221 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cccc(OC(=O)c2ccc(N(C)C)cc2)c1 2325757761 NFBPIIHUPJLKRL-UHFFFAOYSA-N 429.516 5.493 30 10 IKEE CCCOc1ccc(C=Nn2cnnc2SCc2ccc(C(C)(C)C)cc2)cc1OC 2326315344 XQLMULKIJXCADL-UHFFFAOYSA-N 438.597 5.548 30 10 IKEE CCCCCOc1ccc(C=Nn2cnnc2SCc2cc(C)cc(C)c2)cc1OC 2326393099 PHRWHIULDRWBCH-UHFFFAOYSA-N 438.597 5.647 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2OC)n1N=Cc1ccc(C(C)C)cc1 2328276277 VBEIRUDFDZEAAV-UHFFFAOYSA-N 436.581 5.540 30 10 IKEE C=CCSc1nnc(CCc2ccc(OC)cc2)n1N=Cc1ccccc1OCCC 2328580154 QREQKQSHINEZQK-UHFFFAOYSA-N 436.581 5.021 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccc(F)cc3)n2N=Cc2ccccc2O)c1 2329842701 SXELAGQPWWDCQP-UHFFFAOYSA-N 446.551 5.505 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccccc3)n2N=Cc2ccc(N(C)C)cc2)c1 2330674592 BLMRMHATYBMNPM-UHFFFAOYSA-N 441.604 5.802 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(C)c3)c(Cl)c2)cc1 2330833023 HSJLVVBCOUHYEG-UHFFFAOYSA-N 432.947 7.106 30 10 IKEE COc1ccc(C=Nn2c(SCCc3ccccc3)nnc2C2CCCC2)cc1OC 2331077780 NJEZFIMUXISNSQ-UHFFFAOYSA-N 436.581 5.170 30 10 IKEE O=C(COc1ccc(Cl)cc1Cl)Oc1ccc(C=CC(=O)c2ccccc2)cc1 2331162068 PIPKTNWPTDYQFB-UHFFFAOYSA-N 427.283 5.874 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2ccc(F)cc2)nnc1-c1ccco1 2331175783 RMBFIGAPVJBXOO-UHFFFAOYSA-N 436.512 5.641 30 10 IKEE Fc1ccc(CSc2nnc(-c3ccco3)n2N=Cc2cccc3ccccc23)cc1 2331175904 STUNCVBMUJJBLI-UHFFFAOYSA-N 428.492 6.005 30 10 IKEE CCCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccc(C)cc2)cc1OCC 2331286930 ZXUYOSHBCGFSCU-UHFFFAOYSA-N 431.326 5.758 30 10 IKEE CCCCOc1ccc(C=Nn2c(CC(C)C)nnc2SCc2ccccc2C)cc1 2331431586 ZYDPDSQWHUUHTG-UHFFFAOYSA-N 436.625 6.138 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)[C@@H](C)c1ccccc1 2331504130 PUQOONNYTKVZPC-NRFANRHFSA-N 442.555 6.814 30 10 IKEE CCCSc1nnc(CCC)n1N=Cc1ccc(OCc2ccccc2)c(OCC)c1 2331657783 MFDHWHGGOVPKDO-UHFFFAOYSA-N 438.597 5.593 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)c1cccnc1 2331707707 QTPMIMZJBWREBK-UHFFFAOYSA-N 435.907 5.866 30 10 IKEE CCCN(C[C@@H](C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2339587046 ONMKSLKRIRHCRG-GOSISDBHSA-N 446.397 5.141 30 10 IKEE CN[C@H](C#CC1[C@@H]2COC[C@@H]12)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2341637188 KZQDIPKCWGIANI-GMQQYTKMSA-N 439.555 5.001 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1snnc1C1CCC1 2377295816 LPOJQLPLOQUOLW-OAHLLOKOSA-N 449.374 5.574 30 10 IKEE CCC(C)(C)c1sc(N/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)nc1C 15776024 GTLJDRQPKJXFNR-UHFFFAOYSA-N 427.595 5.387 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c(C)cc(C)cc1C)N2 20691385 OQSPCMZGJHCODQ-AZSVPQILSA-N 448.632 5.801 30 10 IKEE CCCOc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(Cl)c(Cl)c1)C2 21232681 CCHFRRHCXLEFME-WBVHZDCISA-N 444.358 5.787 30 10 IKEE COc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OC(C)C)cc2)C3)cc1Cl 21250183 URJXNFSEYIBCJL-MJGOQNOKSA-N 439.939 5.140 30 10 IKEE COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)/C(=C/c2cc(C)n(-c3ccccc3)c2C)C1=O 27570814 LZFWNEIASLXRKR-PCLIKHOPSA-N 440.543 5.588 30 10 IKEE CCOc1cc([C@H]2C3=C(C[C@@H](c4ccc(OC)cc4)CC3=O)Nc3onc(C)c32)ccc1O 28052477 KZEZWLRCMNIYKK-MZNJEOGPSA-N 446.503 5.054 30 10 IKEE O=C1/C(=C\c2cccc(Br)c2)CCC/C1=C/c1cccc(Br)c1 33721097 AHJCUJSTWXHHHI-APGQMXJTSA-N 432.155 6.432 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O)c1ccccc1 34106519 PMDYBFYOGLFGNL-QRQIAZFYSA-N 432.475 6.232 30 10 IKEE C=CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)[C@H](C)CC 36308411 VFRIOPBPRQZDCK-QPPBQGQZSA-N 449.595 5.137 30 10 IKEE C=C(C)C(=O)NCCCCCc1nc2ccccc2n1CCCOc1ccc(C(C)C)cc1 40219817 KJESRTBOGGQZTN-UHFFFAOYSA-N 447.623 6.034 30 10 IKEE CCCCCCCCCNC(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 49757444 BISFZYVCWGSOEQ-UHFFFAOYSA-N 437.536 5.411 30 10 IKEE O=C1/C(=N/N(c2ccccc2)c2ccccc2)c2ccccc2N1Cc1ccc([N+](=O)[O-])cc1 59159162 ZGLMRADIRZXLHE-BYCLXTJYSA-N 448.482 5.684 30 10 IKEE C[C@H](Sc1n[nH]c(N/N=C/c2ccc(Cl)cc2Cl)n1)c1nnc(C2CCC2)o1 59878967 NZZZEZCTLJMVNU-BERGCFNWSA-N 438.344 5.061 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2cccc(C)c2C)cc1 169925197 SIZUVRVKWCAWRH-OAQYLSRUSA-N 448.544 5.168 30 10 IKEE COc1cccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2cccc(C)c2)c1 169930980 WLEDEIAXOZLSFZ-VWLOTQADSA-N 427.500 5.106 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(C)c(C)c2)c1 169932678 CVMVDCWGKQAXIF-XMMPIXPASA-N 427.500 5.403 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccc(F)cc2F)c1 169971231 HEFPTACQPDQHLS-QHCPKHFHSA-N 433.454 5.673 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccc(OC(C)C)c2)cc1C 169979645 SAWUMUTYBIKABI-RUZDIDTESA-N 441.527 5.874 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2cccs2)s1 169984866 PUVMOPPQASGSNO-QGZVFWFLSA-N 444.965 5.566 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2ccccn2)cc1 169994550 BGRWZNWFZFHFPW-JOCHJYFZSA-N 448.906 5.225 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccccc2)cc1 170052641 OJZQZQHPZHNQTI-XMMPIXPASA-N 427.500 5.485 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc(Cl)cc1 170057294 MFZGTIIEPBRYHT-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@H]2c2ccc(F)cc2)cc1 170061793 XDCBYUOAHBGLHF-DEOSSOPVSA-N 445.490 5.570 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@@H]2c2ccco2)ccc1F 170092563 VHBLBFJOPTVUDV-LJQANCHMSA-N 429.806 5.303 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccc(C)o2)c1 170099713 YJUKPCDRGSZMFH-XMMPIXPASA-N 431.488 5.089 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccc(C)o2)cc1 170101443 IINMEHHTCBKALL-QFIPXVFZSA-N 435.451 5.217 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1C1CCCC1 170126085 HPAVOAYGVWUKGE-QHCPKHFHSA-N 435.520 5.003 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@@H]1c1ccc(OC(C)C)cc1 170152552 RNRHENDLNNYCEM-QHCPKHFHSA-N 437.536 5.088 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1cccs1)c1ccc(Br)cc1 170159193 RLXXRAUOFNTHNG-GOSISDBHSA-N 440.318 5.294 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cccs1)c1cc2cc(Cl)ccc2o1 170164008 ANBGOSVPMNUHGW-HXUWFJFHSA-N 441.936 6.059 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1cccs1 170165788 JYSFICPNATYEQH-IBGZPJMESA-N 429.925 5.916 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccncc1 170203258 HUHDUQPDGVLWIM-QHCPKHFHSA-N 442.515 5.171 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc(OCC)c1 170218484 ZTLIKOQSVMAAHZ-RUZDIDTESA-N 443.543 6.007 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccccc2)cc1 170228157 XHUVEPSXXYBLQB-RUZDIDTESA-N 441.527 5.875 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1ccccc1F 170253364 CASLMZQRXNXFRW-OAQYLSRUSA-N 437.467 5.349 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccco2)cc1C(C)C 170279709 KLJWWUCGMRKCLQ-OAQYLSRUSA-N 437.517 5.252 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC(C)C)c3)[C@H]2c2ccco2)cc1 170283224 ZIVCAYMLUDUHLD-XMMPIXPASA-N 445.515 5.660 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1c1cccc(F)c1 170313563 KSDAOCYHVBZODQ-FQEVSTJZSA-N 433.460 5.725 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccc(C)c2)cc1Cl 170343097 VXLMGJWYTUYYHH-FQEVSTJZSA-N 439.920 5.501 30 10 IKEE CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@H]3c3ccc(O)cc3)sc2c1 170451449 QVQDDRBBKXTXMV-OAQYLSRUSA-N 436.533 5.080 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@H]2c2cccc(OC(C)C)c2)cc1 170475281 ZWTKJUNNMFLWFU-XMMPIXPASA-N 437.536 5.388 30 10 IKEE N#Cc1c(Nc2nc3ccc(Cl)cc3s2)oc(-c2ccccc2)c1-c1ccccc1 170542377 VBAOEJDIULUNQU-UHFFFAOYSA-N 427.916 7.492 30 10 IKEE Cc1c(C=Nc2sc3c(c2C(=O)NC2CCCCC2)CC[C@@H](C(C)(C)C)C3)cnn1C 254487206 UPQWKMYKYNVFAW-GOSISDBHSA-N 440.657 5.754 30 10 IKEE Cc1ccc(C(=O)CC(=NNc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(F)(F)F)cc1 254713784 PKLZNQISYWIZIV-UHFFFAOYSA-N 448.426 5.630 30 10 IKEE N#C[C@H](CNc1c(Br)cc(Br)cc1Br)C1CCC1 397176491 FOQASZHAMYNGBC-SECBINFHSA-N 436.973 5.326 30 10 IKEE CC1(C)OB(c2ccc(OCCOc3cccc(OCc4ccccc4)c3)cc2)OC1(C)C 399171061 OIHOVWDAUKLEEH-UHFFFAOYSA-N 446.352 5.023 30 10 IKEE CCCOc1ccc([C@@H]2C(c3cccc(OC)c3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526606757 OIHNTITWXGGZNW-RUZDIDTESA-N 440.499 5.413 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1ccc(N(CC)CC)cc1 526808131 BTKLOUXONWBAAW-ITYLOYPMSA-N 435.641 5.950 30 10 IKEE C=C(C)CN(c1ccc(C(=O)OCC)cc1)S(=O)(=O)c1ccc(CCCCCC)cc1 586231639 MXWJZCYQLFCIMC-UHFFFAOYSA-N 443.609 5.758 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2ccccc2)cc1 586236660 SCCLRGLWFQPZFO-UHFFFAOYSA-N 432.589 6.077 30 10 IKEE CCc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2ccc(N3CCCC3)cc2)cc1 586240828 YIIVHHMNYAYCIT-UHFFFAOYSA-N 445.588 5.116 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCN(C(=O)OC(C)(C)C)[C@@H]2C)cc1 698987731 NJQRTDOSAKLISU-OSPHWJPCSA-N 445.560 5.118 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)C1(C#N)CCC(NC(=O)OC(C)(C)C)CC1 724078303 MLLXOCHWSRXZHC-UHFFFAOYSA-N 429.561 5.466 30 10 IKEE Cc1cc(C)cc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2cccc(O)c2Cl)c1 762445848 ZQBVYYPCOAWOEZ-UHFFFAOYSA-O 436.944 5.145 30 10 IKEE Cc1ccc(/C(Cl)=C(\C=NNc2ccccc2)c2cc(C#N)c(C#N)cc2[N+](=O)[O-])cc1 1081098345 HINHWLVSYWRIKX-KSVFQOONSA-N 441.878 5.852 30 10 IKEE Cn1cnnc1Sc1ccc(C=Nc2ccc3c(c2)oc2ccccc23)cc1[N+](=O)[O-] 1084432703 RGZJWFOVCBYCII-UHFFFAOYSA-N 429.461 5.525 30 10 IKEE CS(=O)(=O)c1ccc(C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1 1148344626 KVPXQNRYOWYMPM-UHFFFAOYSA-N 442.496 5.141 30 10 IKEE C[C@@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccc2nc(O)oc2c1 1287384038 ADOKIMQINAISKQ-CYBMUJFWSA-N 433.851 5.342 30 10 IKEE C#CCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)c(C)s1)[C@H]1CCc2ccccc21 1307430693 JAPVOLWJEUMGBP-NRFANRHFSA-N 435.980 5.333 30 10 IKEE C/C(=C1\SC(=Nc2nnc(C)s2)N(C2CCCCC2)C1=O)c1ccc(C)c(C)c1 1772735172 FEPCKOZNPRDFJV-WPBRSDIJSA-N 426.611 5.790 30 10 IKEE CN1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=Nc1nccs1 1772737096 NKHBHPQXSRZRKY-PRZRADHTSA-N 436.345 5.944 30 10 IKEE N#Cc1cccc(C(=O)Oc2cccc3c(NC(=O)c4ccc(Cl)cc4F)cccc23)c1 1858931727 XOBILHYDKFLTTP-UHFFFAOYSA-N 444.849 5.975 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc2c(c1)C(=O)N(c1cccc(C)c1C)C2=O 1859456089 LVRLTMHSJYPSPF-UHFFFAOYSA-N 434.580 5.975 30 10 IKEE CC(C)(C)c1csc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)s3)C2)c1C#N 1860659545 QGLIAJZQJGYMQQ-GFCCVEGCSA-N 436.002 5.123 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)/C=C/c1cc(OC)ccc1OC 1861730098 XNRSIUCDTPYBCF-DHIVUKOYSA-N 446.632 5.259 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1c(F)cccc1Cl 1861841420 POMZGXLFDQQHAN-OAQYLSRUSA-N 448.966 5.003 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CC(C)C)c1 1862384687 YEZJXKMCLCAMBM-HXUWFJFHSA-N 448.346 5.626 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(OCC)cc2)cc1 1862392546 ABVVRYLRMGHCAE-RUZDIDTESA-N 447.575 5.949 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2cccc(OCCC)c2)cc1 1862398313 SYWMWZAYQLUUTL-XMMPIXPASA-N 435.564 5.806 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@@H]2c2ccc(C)cc2)cc1 1862412765 NBMHRFIWRUZMME-QHCPKHFHSA-N 433.454 5.360 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(F)cc1)c1c(F)cc(F)cc1F 1862457741 WQAVTCVNMBNSPQ-LJQANCHMSA-N 447.409 5.083 30 10 IKEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C)cc2)cc1 1862475263 HXSOATBYFWLDHI-VWLOTQADSA-N 441.527 5.133 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2cccc(Cl)c2)cc1 1862476679 MYQVTSFZYCCDIO-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCCc2ccccc2)cc1 1862507466 LWVMVTCEJIHUGQ-RUZDIDTESA-N 443.518 5.654 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1c(F)cccc1Cl 1862530933 BCTDNTCWIZTPSQ-OAQYLSRUSA-N 445.918 5.046 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1cccc(OC)c1 1862556990 ICOFOOMDVMMULF-HSZRJFAPSA-N 436.552 5.216 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2Cl)cc1 1862616399 COQJXUHUHMUTHJ-QFIPXVFZSA-N 449.934 6.009 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccccc2)c1 1862648458 BMJCWQDXUXASDJ-HHHXNRCGSA-N 447.534 6.235 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2Cl)cc1 1862659771 AFVZYXLWECVVPU-QHCPKHFHSA-N 446.934 5.637 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 1862663268 QGKQWNDYAWCZSZ-DEOSSOPVSA-N 445.946 6.242 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862665681 LYGJZCBIFKIOML-QFIPXVFZSA-N 436.508 5.487 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(C(C)C)cc1 1862726619 KUKNKMWPEDCVEC-SANMLTNESA-N 439.555 6.465 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)c1 1862747564 SFMXJGTUKHSLKT-GAJHUEQPSA-N 442.471 5.243 30 10 IKEE N#Cc1cccc(NC2=C(c3cccc4ccccc34)C(=O)N(c3ccc(Cl)cc3)C2=O)c1 1862844080 VQLBNTNQOUBMGK-UHFFFAOYSA-N 449.897 5.761 30 10 IKEE Cc1c(Cl)cccc1NC1=C(c2ccccc2Cl)C(=O)N(c2cccc(C#N)c2)C1=O 1863076596 UOAFKELEYBYULR-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE CC(C)CCN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863283709 HIMMKMTXCGEWCB-UHFFFAOYSA-N 428.319 5.103 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(N(C)C)c2)=C(c2ccc(OC)cc2)C1=O 1863329654 IQSDCJBCZPTYLE-UHFFFAOYSA-N 449.595 5.314 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(Nc2ccccc2C#N)=C(c2cc(C)ccc2C)C1=O 1863409045 WEOJVCBSLVGMOE-NRFANRHFSA-N 429.564 5.726 30 10 IKEE CCOc1cn(Cc2ccccc2C)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870237580 CMTDKRGBPUUKMF-UHFFFAOYSA-N 433.577 5.088 30 10 IKEE C=CCn1cc(OCCC(C)C)c(=O)cc1CN(Cc1ccccc1)Cc1ccccc1 1870351733 OEQGXGGDXAHEKC-UHFFFAOYSA-N 430.592 5.662 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(Cl)cc2)C3=O)c1 1871389860 RJBFBSJRHIFUFC-UCQKPKSFSA-N 446.886 6.049 30 10 IKEE CN(Cc1c(O)ccc2c1O/C(=C\c1ccccc1Br)C2=O)C1CCCCC1 1871393300 BRBNYUXNLHMCPB-BKUYFWCQSA-N 442.353 5.535 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(O[C@@H](C)C(=O)Nc3ccccc3Cl)ccc2C1=O 1871406635 UEDOLHXJJMORIG-GQFJFNLSSA-N 439.920 5.732 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc(OCCOc4ccccc4F)c3C)C2=O)cc1 1871417398 RWAKBCPFPYKSNZ-JLPGSUDCSA-N 434.463 5.607 30 10 IKEE Cc1c(OCC(=O)OCC(C)C)ccc2c1O/C(=C\c1c(Cl)cccc1Cl)C2=O 1871427518 IGZPXHMPCMKWEQ-OCKHKDLRSA-N 435.303 5.496 30 10 IKEE CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1C)O/C(=C\c1ccc(Cl)cc1Cl)C2=O 1871433028 JTLOXGPVSHUHMR-HDOAHBKWSA-N 449.330 6.029 30 10 IKEE Cc1c(OCC(=O)Nc2ccccc2Cl)ccc2c1O/C(=C\c1ccccc1F)C2=O 1871455511 PSSHFWQCDYGKIJ-MTJSOVHGSA-N 437.854 5.421 30 10 IKEE CC(C)=C1Oc2cc(OCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc(C)c2C1=O 1871458848 JSIUYOWEKJPTBF-UHFFFAOYSA-N 439.817 5.554 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc(C)c4C)cc(C)c3C2=O)c1 1871459647 VXVBOQVDKMOBHK-CFRMEGHHSA-N 427.500 5.554 30 10 IKEE CCc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccc(C(C)(C)C)cc3)n2)cc1 1872761135 GXYUTZRJKZQOOU-HSZRJFAPSA-N 446.616 6.705 30 10 IKEE N#C[C@@H](C(=O)COc1ccc(Cl)cc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872763612 QDCYDPZVSICVAV-AWEZNQCLSA-N 448.287 5.280 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)c2ccnc(Cl)c2)n1 1872777317 KUEBFAWTSZKDOO-INIZCTEOSA-N 425.941 5.655 30 10 IKEE COc1cc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(C)cc3)n2)c(OC)cc1Cl 1872782104 DHKNBNXCMFTVBM-IJDCCNJMSA-N 438.936 5.679 30 10 IKEE CCOc1ccc(CC(=O)[C@H](C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1 1872786374 IJDGKTZPORJSDM-IBGZPJMESA-N 440.952 5.598 30 10 IKEE C=C(C)CSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1cccc(F)c1 1874225688 XUDCKLIJKKYEDS-CVKSISIWSA-N 438.572 5.596 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCC(=C)C)n1/N=C/c1ccc(F)cc1 1874226751 ATTORJNNPOBNCK-AFUMVMLFSA-N 438.528 5.111 30 10 IKEE CCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc(Br)cc1 1874339884 RHVOBJLJGLLATI-CIAFOILYSA-N 435.778 5.279 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccc(O)cc2)cc1C 1874357266 YMHDEEWJLCUBQP-JFLMPSFJSA-N 446.551 5.505 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccccn1 1874363025 JIBTUVLSGIFDMZ-JVWAILMASA-N 431.540 5.080 30 10 IKEE Cc1ccc(C)c(CSc2nnc(COc3ccccc3)n2/N=C/c2ccc(O)cc2)c1 1874384232 FXCIJSWGXDENSV-CVKSISIWSA-N 444.560 5.354 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCCCO)n1/N=C/c1ccc(Cl)cc1Cl 1874401893 YSTFGWIUAQUEDF-WQEJZQBCSA-N 435.380 5.093 30 10 IKEE O=[N+]([O-])c1ccccc1/C=N/n1c(SCCc2ccccc2)nnc1-c1ccccc1 1874428655 UXEYRUJSQMFZKS-JJIBRWJFSA-N 429.505 5.070 30 10 IKEE O=C(O)c1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CCCC2)cc1 1874456294 KSWUVYYHYITDLS-ZMOGYAJESA-N 440.956 5.462 30 10 IKEE FC(F)(F)c1ccc(/C=N/n2c(SCCc3ccccc3)nnc2C(F)(F)F)cc1 1874461560 UCSCDKBSQUMBSE-RPPGKUMJSA-N 444.404 5.533 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccco3)n2/N=C/c2ccc(C(C)(C)C)cc2)c1 1874466856 FSYRYSNAGKBZEL-JVWAILMASA-N 444.604 6.627 30 10 IKEE CC(C)Cc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc(C(C)C)cc1 1874490461 RZCWSVPMNMAEFE-AFUMVMLFSA-N 427.017 6.428 30 10 IKEE CCc1ccc(/C=N/n2c(COC)nnc2SCc2c(Cl)cccc2Cl)cc1 1874502353 CXBMMESDPDZEDA-FOKLQQMPSA-N 435.380 5.468 30 10 IKEE Sc1nnc(CCCOc2ccccc2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874564151 QKRGKVXXYWLPSF-NLRVBDNBSA-N 444.560 5.040 30 10 IKEE O=C(/C=C/c1c(OCc2cccc3ccccc23)ccc2ccccc12)c1ccccc1Cl 1874574775 FTNXHUCHEGNART-ISLYRVAYSA-N 448.949 8.122 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cccc(OC)c2OCc2ccc(C)cc2)c1 1874587426 LYEMIAYYVMNBMJ-JQIJEIRASA-N 446.543 6.276 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccccc1OCc1c(F)cccc1Cl 1874589996 NLONUCMUGQRWCT-FYWRMAATSA-N 436.954 7.560 30 10 IKEE Cc1ccc(NC(=O)COc2cccc(/C=C/C(=O)c3cccc4ccccc34)c2)cc1C 1874597653 XUKSDZRXSDPGQW-JQIJEIRASA-N 435.523 6.370 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)cc2)cc1OC 1874602737 BKYZLOOIBGLCLD-YRNVUSSQSA-N 445.515 5.234 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Br)cc2)cc(Br)c1OC 1874608030 STQWGBROCUEJBL-FPYGCLRLSA-N 426.104 5.125 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(F)cc1 1874614063 BKVCLKZLUZPOJZ-LFYBBSHMSA-N 445.317 7.006 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc([N+](=O)[O-])c1OCc1cccc(F)c1 1874617850 WOKAODVWBKSVHO-PKNBQFBNSA-N 449.478 6.225 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1 1874623335 XVITYMXBYHWNCG-LAINMTBBSA-N 427.544 5.962 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OCc2cccc(F)c2)c([N+](=O)[O-])c1 1874639411 YMPQIQIUXIPFJV-VMPITWQZSA-N 441.842 5.871 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1OC(=O)c1ccc(F)cc1 1874692348 BMKVBDHQSYLXKC-MKMNVTDBSA-N 426.443 6.103 30 10 IKEE Cn1c(C(=O)Oc2cccc(/C=C/C(=O)c3ccc4ccccc4c3)c2)cc2ccccc21 1874693555 KTCXODYESLKGEQ-DTQAZKPQSA-N 431.491 6.447 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1OC(=O)c1cncc(C)c1 1874694940 CHJSEWPSSBTMMY-XVNBXDOJSA-N 442.298 5.821 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccccc3[N+](=O)[O-])c2)cc1C 1874696248 OOMJGBNCXLAHAP-DHZHZOJOSA-N 447.443 5.036 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)ccc2OC)cc1 1874698341 RDELMQJWBREYEY-LNKIKWGQSA-N 447.443 5.117 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1OC(=O)c1cc(C)cc(C)c1 1874707550 KMFOMKNIHADOTG-QPJJXVBHSA-N 430.456 5.156 30 10 IKEE CCOc1cccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)c2)c1 1874707675 QNGXFFYZIBZENC-SFQUDFHCSA-N 428.528 6.498 30 10 IKEE C[C@@H](Oc1ccc(Cl)cc1)C(=O)Oc1cccc(/C=C/C(=O)c2ccc(F)c(F)c2)c1 1874710551 DGNHMVCQYWDJDH-FDYAIDJWSA-N 442.845 5.887 30 10 IKEE COc1ccccc1C(=O)Oc1cccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1 1874718556 JWRRZTMIJUNQII-FMIVXFBMSA-N 427.283 6.117 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c(OC)c2)cc1 1875102034 WQSYRFFZWFEOON-UKTHLTGXSA-N 431.444 5.281 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(C)c3)cc2)c(OC)c1 1875107332 KVOBKKMSWUAPKE-NTUHNPAUSA-N 446.499 5.065 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl 1875110525 PFUZJWQWJLXNPL-ZRDIBKRKSA-N 427.283 6.117 30 10 IKEE O=C(CC12CC3CC(CC(C3)C1)C2)Oc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1 1875123581 TVSZQPVPCZCDHM-RMKNXTFCSA-N 434.963 6.748 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC(=O)CC1CCCCC1 1875125084 PYILUWADMQHZHX-XYOKQWHBSA-N 428.475 6.135 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1cc(C)cc(C)c1 1875150425 NFIRAKNZGRQQNW-NTUHNPAUSA-N 442.555 6.725 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H]3CCCO3)c(Br)c2)cc1 1875155297 AZPSGGLSYWBCMJ-PXWJQCMDSA-N 443.337 5.553 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)c1cnccn1 1875156934 KRIYUVLSTVEXQN-KPKJPENVSA-N 442.515 5.452 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)c(Cl)c1)c1ccc(F)cc1 1875158368 SEHRXYAALQGZNA-ONNFQVAWSA-N 425.799 5.503 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OC(=O)CC(C)(C)C 1875164966 KCHJGSYMBNQLPZ-PKNBQFBNSA-N 438.564 6.373 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1OC(=O)c1ccco1 1875166011 LHFIEVFRZNFQMY-CMDGGOBGSA-N 438.907 6.291 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)ccc1OC(=O)c1cccnc1 1875193657 UPGMZISSHURXDX-RMKNXTFCSA-N 437.879 5.258 30 10 IKEE CCN(CC)c1cccc(OCC#CCNC(=O)c2ccc(C(F)(F)F)cc2Cl)c1 1891125838 JBRFJVYLYUTOKK-UHFFFAOYSA-N 438.877 5.017 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cc(F)c(Cl)cc3Cl)ccc21 1891618921 SRMQUQJTQAMBPZ-UHFFFAOYSA-N 437.298 5.322 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C 1922079319 DWRXETJRQKPNLH-GOTSBHOMSA-N 432.649 5.799 30 10 IKEE C=CCN(C(=O)OC(C)(C)C)[C@]1(CN)CN(Cc2ccccc2)C2(CCCCCC2)C1 1950499697 OAADCZAAZMVOGT-AREMUKBSSA-N 427.633 5.106 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H]1CCN(C(=O)OC(C)(C)C)C12CCCC2 2008776038 WRDYOFKNSKCIKB-GOTSBHOMSA-N 428.617 5.307 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1N(C(=O)OC(C)(C)C)CCSC1(C)C 2018260339 BBLMFDFDZOPLBL-YADHBBJMSA-N 448.673 5.259 30 10 IKEE CC1(NC(=O)OC(C)(C)C)CCC(C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)CC1 2027792820 ICJCOUDOTXFUKQ-UHFFFAOYSA-N 447.551 5.687 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@@H](C#N)[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2073118314 JWOWFIJNATWRSL-APWZRJJASA-N 447.551 5.495 30 10 IKEE CCOC(=O)c1c(C2CCC2)nn(Cc2ccc(F)cc2C(F)(F)F)c1C(F)(F)F 2079051882 MZUMUHLDFOXTJJ-UHFFFAOYSA-N 438.343 5.552 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@@H](C#N)c1ccc(Br)c(Cl)c1F 2098120421 JLWZOXCWTQJPAB-HNNXBMFYSA-N 439.712 6.248 30 10 IKEE C=CCC[C@@H](C)[C@H](NCCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2102101902 ZCDJJLJKFYSJTJ-BEFAXECRSA-N 425.411 6.439 30 10 IKEE COc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)c(C)c1 2143763565 GXIHNPFQZMXFHC-IBGZPJMESA-N 431.330 5.773 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1cc(Br)ccc1OCCC 2164222395 TVPTXMVXLSFKDM-QHCPKHFHSA-N 432.402 6.052 30 10 IKEE N[C@@H](C#Cc1ccccc1)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2191332527 ZLGWZBYBHNKKNA-BHBYDHKZSA-N 449.550 5.257 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(Nc2cccc(Br)c2)C[C@H]1C1CCC1 2194184567 CEYGDRZWNPMKGL-RXVVDRJESA-N 434.378 5.323 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCC[C@@H]2CCCC[C@H]21 2201123376 PKZVAEXNNDQODO-NBCNXNJRSA-N 433.390 6.443 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Cl)c(Oc2ncccc2B2OC(C)(C)C(C)(C)O2)c1 2224126586 ZFYQOAHCCNAEKG-UHFFFAOYSA-N 446.740 5.174 30 10 IKEE CCCCCCC[C@@H](N)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2229108865 BRXPIUIZFNGLLE-MOPGFXCFSA-N 427.427 5.573 30 10 IKEE C=C(C)CC[C@@H](NCCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237408608 IOKKUFDUXYIVER-UXHICEINSA-N 439.438 5.609 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1c(F)ccc(F)c1F 2239728280 JNZYAGRPLMHDBW-HNNXBMFYSA-N 441.247 5.873 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2cc(Br)ccc2C#N)C[C@@H]1C(F)(F)F 2279226987 DKMIJAHTUYHPBY-UKRRQHHQSA-N 448.283 5.063 30 10 IKEE O=C(C=Cc1ccc(COc2c(F)c(F)cc(F)c2F)o1)c1ccc(-n2ccnc2)cc1 2294898597 ALFIDNJDZJZYFH-UHFFFAOYSA-N 442.368 5.497 30 10 IKEE CC(C)(C)OC(=O)NC[C@H](CC(=O)C#Cc1cccc(Br)c1)C1CCCC1 2296218210 BQIGAPLSKMHHNZ-SFHVURJKSA-N 434.374 5.091 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H](CCC)N(C)C(=O)OC(C)(C)C 2296304388 GSXYCWHLEUDNNY-WOJBJXKFSA-N 437.422 5.204 30 10 IKEE COc1ccc(Br)cc1C=C1Oc2cc(OCc3ccccc3)ccc2C1=O 2314437765 WELHJUZSJZZKPT-UHFFFAOYSA-N 437.289 5.653 30 10 IKEE Clc1ccccc1COc1ccc(C=Nn2cnnc2SCCc2ccccc2)cc1 2321295777 URCSJLUNWPJOBR-UHFFFAOYSA-N 448.979 5.728 30 10 IKEE CCCCOc1ccc(C=Nn2cnnc2SCc2cccc(Cl)c2)cc1OC 2321323573 SUCFSJUBERQYBY-UHFFFAOYSA-N 430.961 5.294 30 10 IKEE COC(=O)c1ccc(C=C2Oc3c(ccc(OCc4ccc(Cl)cc4)c3C)C2=O)cc1 2321770864 SGKHCLONPGOXOG-UHFFFAOYSA-N 434.875 5.630 30 10 IKEE Cc1cccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccc3c(c2)OCO3)C4)c1 2322102226 PHPBTOHCUGDAKG-UHFFFAOYSA-N 441.483 5.000 30 10 IKEE CCN(CC)CCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccccc1F)C3=O 2322122955 NYHNEMOLFDPUTN-UHFFFAOYSA-N 438.543 5.024 30 10 IKEE COc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(C1CCCCCCC1)C3 2322178924 KPPUOKVZCGBZED-UHFFFAOYSA-N 433.548 5.885 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Br)ccc2OCCc2ccccc2)cc1 2322442992 PYCOGBIZUSLUGJ-UHFFFAOYSA-N 437.333 5.975 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2c(OCc3cccc(F)c3)ccc3ccccc23)cc1 2322607398 RVKGQKOABGYRPF-UHFFFAOYSA-N 440.514 7.243 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1 2322687466 GRAUTNVWLOPMNS-UHFFFAOYSA-N 439.382 7.766 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1c(OCc2cccc(C)c2)ccc2ccccc12 2322851536 DVSVRNNCUFVLPM-UHFFFAOYSA-N 436.551 7.249 30 10 IKEE Cc1ccc(CCC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2323081472 XTQLBFLIGUTDIE-UHFFFAOYSA-N 432.903 6.111 30 10 IKEE Cc1c(OC(=O)Cc2ccc(Cl)c(Cl)c2)ccc2c1OC(=Cc1ccncc1)C2=O 2323419867 MJVADXHOEGAJMA-UHFFFAOYSA-N 440.282 5.461 30 10 IKEE CCCOc1c(Br)cc(C=CC(=O)c2ccc(OC)c(OC)c2)cc1OCC 2323460226 LMIYNEKGIYRHRQ-UHFFFAOYSA-N 449.341 5.550 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc3C2=O)o1 2323461455 MAMIAASJOJNFOG-UHFFFAOYSA-N 441.266 6.130 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(F)cc2)c(Cl)c1)c1cccc(Br)c1 2323652841 HSHGJRXLPQPUMZ-UHFFFAOYSA-N 445.715 6.717 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccccc2OC)cc1OCC 2323713881 LNGKWTLPTCOUNM-UHFFFAOYSA-N 439.552 5.017 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCC(=O)OCC(C)C 2323780781 QZLUOSJUKOOPIY-UHFFFAOYSA-N 437.319 5.476 30 10 IKEE COc1cccc(-c2csc(NN=Cc3cc(Br)cc(OC)c3OC)n2)c1 2323840141 PRRVMWSJOVRMIQ-UHFFFAOYSA-N 448.342 5.044 30 10 IKEE CCc1ccc(C=C2Oc3c(CN(Cc4ccccc4)C(C)C)c(O)cc(C)c3C2=O)cc1 2324014811 FBMSFNILSGLBTF-UHFFFAOYSA-N 441.571 6.290 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3F)cc2)c1C 2324332183 KZMXBIIWFBUEOP-UHFFFAOYSA-N 431.507 5.973 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2)cc2c1C(=O)C(=Cc1ccc(C(C)C)cc1)O2 2324405967 YSNRRHDDDHFMEM-IBGZPJMESA-N 441.527 6.141 30 10 IKEE Cc1c(Cl)cccc1NC(=O)[C@H](C)Oc1ccc2c(c1C)OC(=Cc1ccncc1)C2=O 2324434125 SMTXCYYZTMMIBN-INIZCTEOSA-N 448.906 5.374 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OCC(=O)Nc1ccccc1 2324567791 DDRVVLWPIIUZAR-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE COc1ccccc1C=C1Oc2cc(OCCCCOc3cccc(C)c3)cc(C)c2C1=O 2324571073 YTMFHFSQXGDLIM-UHFFFAOYSA-N 444.527 6.166 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCc4ccc(C#N)cc4)c3C)C2=O)cc1OC 2324756976 GMPNAFGIQZHWPM-UHFFFAOYSA-N 427.456 5.079 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccc(C)cc4C)c3C)C2=O)c1 2324892290 PFYYLNYAJGXQPZ-UHFFFAOYSA-N 443.499 5.254 30 10 IKEE Cc1cc(OCCN2CCCCC2)cc2c1C(=O)C(=Cc1cccc(Br)c1)O2 2325701467 SRCMJMBAFSSPKX-UHFFFAOYSA-N 442.353 5.238 30 10 IKEE COc1cccc(C(=O)C=Cc2cccc(OC(=O)COc3ccc(Cl)c(C)c3)c2)c1 2325707505 GKRLIENNOKEVOL-UHFFFAOYSA-N 436.891 5.538 30 10 IKEE COc1cccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4C(C)C)ccc3C2=O)c1 2325725984 FWXWOGMUDDFBPM-UHFFFAOYSA-N 443.499 5.452 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2cccc(C=CC(=O)c3cccc(Cl)c3)c2)cc1 2325728492 JDAWAXVORCSJKU-UHFFFAOYSA-N 448.946 6.563 30 10 IKEE COc1cccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C)c(Cl)c4)ccc3C2=O)c1 2325729064 XLHHQFIYLLZINN-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 2325734097 ZIYJSBTZAYEZRF-UHFFFAOYSA-N 447.443 5.117 30 10 IKEE O=C(CSc1ccccc1)Oc1cccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)c1 2325737476 IEQHUVGKXDDHBW-UHFFFAOYSA-N 443.351 6.587 30 10 IKEE Cc1cccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2Cl)C3=O)c1C 2325737983 AQKFZKCQJOCNJZ-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccccc3[N+](=O)[O-])c2)cc1 2325746606 MSZMADJHJUGWJW-UHFFFAOYSA-N 429.472 6.008 30 10 IKEE O=C(CCCOc1ccccc1Cl)Oc1cccc(C=CC(=O)c2ccc(F)cc2)c1 2325751377 ZPFOCHCHCGPSGK-UHFFFAOYSA-N 438.882 6.140 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(F)cc2)c1)c1ccc(Oc2ccccc2)cc1 2325754698 LOLWNLUVDTTZJZ-UHFFFAOYSA-N 438.454 6.733 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cccc(OC(=O)c2ccc3c(c2)OCO3)c1 2325757853 PSDQWVLVWKJUPC-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)CCOc3ccccc3)c2)cc1C 2325771333 OSFBZNLZYJQQGP-UHFFFAOYSA-N 430.500 5.583 30 10 IKEE CSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1N=Cc1cccc(Cl)c1 2325831125 IAWKJBLZLYVTJL-UHFFFAOYSA-N 443.016 5.845 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1ccc(Cl)c(Cl)c1 2326444423 CSOPVZWTOJLDDH-UHFFFAOYSA-N 433.408 6.329 30 10 IKEE COc1cc(C=Nn2c(C)nnc2SCc2ccccc2Cl)ccc1OC(C)C 2326540956 ICRMPRGXLOCMCO-UHFFFAOYSA-N 430.961 5.210 30 10 IKEE Cc1ccc(C=CC(=O)Nc2cccc3c(OC(=O)Nc4ccccc4C#N)cccc23)cc1 2327383263 GDWUIBRVKZLUOD-UHFFFAOYSA-N 447.494 6.283 30 10 IKEE COc1ccccc1CCc1nnc(SCc2ccccc2C)n1N=Cc1ccccc1 2328676243 UBCCVZVGEJQWOO-UHFFFAOYSA-N 442.588 5.555 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1ccc(N(C)C)cc1 2328945486 JGFWXZQWKPHAQH-UHFFFAOYSA-N 433.625 5.297 30 10 IKEE Cc1ccsc1C=Nn1c(COCc2ccccc2)nnc1SCCc1ccccc1 2329347891 CBFLZJNWIRPSTG-UHFFFAOYSA-N 448.617 5.582 30 10 IKEE Cc1ccc(C=Nn2c(Cc3ccc(C)c(C)c3)nnc2SCc2ccc(F)cc2)cc1 2329398128 FYKRYGIUFMRJGJ-UHFFFAOYSA-N 444.579 6.108 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2cccc(F)c2)n1N=Cc1cccc(O)c1 2329477978 XMKZNEOTIFPGRH-UHFFFAOYSA-N 446.551 5.391 30 10 IKEE Cc1ccc(CSc2nnc(CCc3cccs3)n2N=Cc2ccc(F)cc2)cc1 2329627023 XMMDJIISALBDLK-UHFFFAOYSA-N 436.581 5.747 30 10 IKEE CCSc1nnc([C@H](C)c2ccccc2)n1N=Cc1cc(Br)ccc1F 2330089849 XOMDSMDQWXGQBR-CYBMUJFWSA-N 433.350 5.326 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccccc3)nnc2[C@@H](C)c2ccccc2)c1 2330102032 YMZNNWBYTGOJDM-IBGZPJMESA-N 428.561 5.613 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccc(F)cc2F)c1 2330173799 TWKRYSDZTNYVGB-UHFFFAOYSA-N 448.542 5.824 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(CC2CCCCC2)n1N=Cc1ccc[nH]1 2330277591 ZGAXSGXLNQUEJW-UHFFFAOYSA-N 448.423 6.210 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)cc1 2330627616 XAQLBFWJUMNAAH-UHFFFAOYSA-N 435.863 5.926 30 10 IKEE CCSc1nnc(-c2ccccc2)n1N=Cc1ccc(OCc2ccc(C)cc2)cc1 2330663632 DRSFQRLQUHFKQW-UHFFFAOYSA-N 428.561 5.827 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)c1 2330777010 ZDHTTWQZIVRYES-UHFFFAOYSA-N 430.544 6.103 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc4ccccc34)c(OC)c2)cc1 2330990475 MVMFYZWMVACWKA-UHFFFAOYSA-N 438.479 5.972 30 10 IKEE Clc1cccc(Cl)c1C=Nn1c(SCCc2ccccc2)nnc1C1CCCC1 2331077934 RXNMCTHKCIWAKW-UHFFFAOYSA-N 445.419 6.460 30 10 IKEE O=C(Cc1ccc(Cl)cc1)Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1Cl 2331087212 FNBRNKOYBWSGRU-UHFFFAOYSA-N 447.264 6.316 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(-c3ccccc3)cc2)cc1)c1ccc(Cl)cc1 2331138306 JCYQWBFHBNHBNQ-UHFFFAOYSA-N 438.910 7.122 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)COc1ccccc1 2331183290 PBEBNIOEEIVOBD-UHFFFAOYSA-N 428.484 5.304 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1 2331238799 WSWSBIZHMPKISL-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)Cc1ccccc1F 2331286780 JVDCZGVAJCGUCO-UHFFFAOYSA-N 444.502 5.915 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2[N+](=O)[O-])c1 2331498065 FDOBQWNXJVMQHG-UHFFFAOYSA-N 445.471 5.842 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1C 2331704744 BFEWPSZUYCRURZ-UHFFFAOYSA-N 435.317 6.181 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1c[nH]c2ccccc12 2331708694 LLCLTSCAUYJEGV-UHFFFAOYSA-N 444.391 6.364 30 10 IKEE CCCN[C@@H](C#CC(C)(C)OC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2363527909 OMMRRDLZTDGFQG-KRWDZBQOSA-N 439.394 5.265 30 10 IKEE COC1(C#C[C@@H](N)c2ccc(NC(=O)OC(C)(C)C)c(Br)c2)CCCCC1 2363724213 BBVSZVBGJKMSBH-QGZVFWFLSA-N 437.378 5.149 30 10 IKEE O=C1[C@@H](c2ccccc2)SC(=NN=Cc2ccco2)N1c1cccc(C(F)(F)F)c1 2769482 XRBJQNHZTSZWOT-GOSISDBHSA-N 429.423 5.510 30 10 IKEE Cc1ccc(C)c(CN2C(=O)/C(=N\NC(=S)Nc3cc(C)ccc3C)c3ccccc32)c1 3041796 DXNQNHGRGUXLJH-COOPMVRXSA-N 442.588 5.158 30 10 IKEE Cc1cc(C)cc(NS(=O)(=O)c2ccc(/N=C/c3ccc(Br)cc3)cc2)c1 12484321 BTLVUZPRWCDNMS-OEAKJJBVSA-N 443.366 5.617 30 10 IKEE Cc1ccc(C2=NN(c3ccc(/C=N/c4cccc(O)c4)cc3)[C@@H](c3ccccc3)C2)cc1 15772842 CHQJRNIYYPWOAK-UPJRRAFRSA-N 431.539 6.807 30 10 IKEE CC(C)(C)c1nnc(CSc2n[nH]c(N/N=C/c3cccc(Oc4ccccc4)c3)n2)o1 20832080 XSGFNMPXRHNGDB-YDZHTSKRSA-N 449.540 5.016 30 10 IKEE CC(C)Oc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(Cl)c(Cl)c2)C3)cc1 21219590 FBHBALWZTZWJOQ-WMZOPIPTSA-N 444.358 5.785 30 10 IKEE CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)ccc1O 21221711 HAXLISFGNUJJOY-LMKMVOKYSA-N 432.545 5.832 30 10 IKEE CSc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)cc1 21228747 PDMRNOXTEQDRIM-QUGAMOGWSA-N 447.003 7.041 30 10 IKEE Cc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ccc(C#CC(C)(C)O)cc2)n1 23129431 LXDLLYVLUXEWGE-NDEPHWFRSA-N 435.571 5.141 30 10 IKEE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N=C2O)cc1C 33614577 BHWDXUGRKZDAQU-DEDYPNTBSA-N 433.558 5.742 30 10 IKEE COc1ccc(-n2c(-c3ccc(F)cc3)cc(/C(C)=N\OCc3cccc(C)c3)c2C)cc1 35843475 GQUROSNYZSBDAY-COEJQBHMSA-N 442.534 6.850 30 10 IKEE O=C1ON=C(c2ccc(Cl)cc2)/C1=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 96602401 AZNOABHQADOCLH-MOSHPQCFSA-N 438.266 5.557 30 10 IKEE Cc1ccc(Cn2nc(C)c(/C=C\C(=O)Nc3cccc(C#Cc4ccccn4)c3)c2C)cc1 96991499 GVYNRAFBMAYTBR-MSUUIHNZSA-N 446.554 5.303 30 10 IKEE CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2)S/C1=N/c1ccccn1 101124050 YRZPMMBULSBERG-AGEIGWASSA-N 449.963 5.938 30 10 IKEE CCCCCCCC1=NN2C(=N)/C(=C\c3ccc(N(CC)CC)cc3)C(=O)N=C2S1 103680329 ZCZZIURTVXSTSD-ZYEZLKIFSA-N 425.602 5.512 30 10 IKEE COc1ccc(N/C(=C\C(=O)/C(O)=C/C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1 104976024 CBGOOYIXKSWEGF-NWARCJGUSA-N 433.891 5.696 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccc(OC)cc2)cc1 169923520 LZJCJLPZSGOAEP-SANMLTNESA-N 441.527 5.360 30 10 IKEE CCN1C(=S)N[C@@H](c2ccc(OC)c(OCc3ccc(Cl)cc3)c2)C(C(C)=O)=C1C 169933334 VMOVMUNKNKLWTN-QFIPXVFZSA-N 444.984 5.042 30 10 IKEE COc1cc(/C=N\Nc2nc(C)c(C)s2)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 169943258 PDCBHSJOKMWOHY-JJFYIABZSA-N 426.498 5.010 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1cccs1 169982416 JWMOZZIRQMHASX-QFIPXVFZSA-N 444.512 5.017 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@@H]2c2cccs2)cc1 169986236 LLLHEBOTKXCLJX-HSZRJFAPSA-N 425.509 5.993 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccccc2)cc1 170048865 QUQRWAPRGVMAHN-QHCPKHFHSA-N 442.471 5.501 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccco2)cc1C 170098096 FWMFIPRUSCDAAP-FQEVSTJZSA-N 430.485 5.289 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccc(OC)c2)cc1C 170118138 LDVIULIHSVWSFB-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(O)cc1 170133567 VXFQCAYNPNAVFK-RUZDIDTESA-N 435.479 5.637 30 10 IKEE Cc1c(Cl)cccc1NC1=C(c2ccc(Cl)cc2)C(=O)N(c2ccc(C#N)cc2)C1=O 170137217 KQHLYUPDJAVBNX-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2ccccc2C)c1 170142872 VXATVXBLDIPBOW-RUZDIDTESA-N 441.527 5.874 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2cccs2)c1 170153839 RPPJITBRPBLKRR-QHCPKHFHSA-N 445.540 5.418 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2cccs2)c(C)c1 170158671 FPRUKDMJMXNDLS-QFIPXVFZSA-N 433.529 5.465 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2cccnc2)cc1C 170188688 RAKXDAFDHWLKFR-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccncc2)c1 170206170 PYLUXVJIGPZJMX-QFIPXVFZSA-N 448.906 5.225 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccccc2)c(C)c1 170229382 GXMLXCLCEGMDBW-QFIPXVFZSA-N 435.426 5.065 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(F)cc2)c1 170238876 OZSUCXXEGNXQLN-HSZRJFAPSA-N 427.431 5.663 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccccc1F)c1ccc(Cl)cc1 170246912 DNIJQYCWFPVUEG-IBGZPJMESA-N 427.884 5.319 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C2CCCC2)cc1 170268558 BOCQUVHUYPQERP-RUZDIDTESA-N 429.560 5.649 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@H]1c1ccccc1C 170277369 YIGSPWCVIPTYKQ-XMMPIXPASA-N 435.564 5.896 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2sccc2C)c1 170315105 XRHZMDPVZRWHJN-QFIPXVFZSA-N 447.556 5.937 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1F)c1ccncc1 170381506 KSLXPJYNIWBIOE-IBGZPJMESA-N 443.261 5.310 30 10 IKEE COc1ccc(Br)cc1C=NNc1c(Cl)cc(C(F)(F)F)cc1Cl 254490286 UUUCBQCLJNTOOJ-UHFFFAOYSA-N 442.062 6.229 30 10 IKEE N#CCCN(CCOC(=O)c1ccccc1)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1 256171953 SCLYXZFZPIKFAH-UHFFFAOYSA-N 443.463 5.587 30 10 IKEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1COc1cccc(OCc2ccccc2)c1 399160942 KTWZAMKYHGXLKI-UHFFFAOYSA-N 446.352 5.152 30 10 IKEE O=C(ON1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1)c1ccccc1 504215383 AHWJZZPNLMYEFP-UHFFFAOYSA-N 430.935 5.503 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(O)cc2)c1 526487482 ZDBRQDSGVQQBNY-DEOSSOPVSA-N 426.472 5.110 30 10 IKEE CCCOc1cccc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 526487582 CEZURIHLPZYZNN-DEOSSOPVSA-N 444.918 6.058 30 10 IKEE Cc1ccc(SC2=C(Nc3ccc(C)cc3C)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 526639938 NPOHEMJNDFXNLM-UHFFFAOYSA-N 439.540 5.473 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)c1 526773066 OCLPDDSZYXNEKS-HSZRJFAPSA-N 447.918 5.912 30 10 IKEE CCCCCOc1ccc(/C=N\n2c(C)nnc2SCc2ccccc2F)cc1OC 526802372 FQWNGLAWGFQHHN-MYYYXRDXSA-N 442.560 5.478 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccccc1[N+](=O)[O-] 526818098 QMHBHWHRBKLZMF-JJFYIABZSA-N 433.896 5.106 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1ccc(OC(C)(C)C)cc1 526819323 SOMKSTMVDDNPIR-QQXSKIMKSA-N 436.625 6.199 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@H](NC(=O)CCC3CCCCC3)C2)c1 586022285 PEMYNJNEZKOPSC-DEOSSOPVSA-N 439.644 5.606 30 10 IKEE CC(C)(C)c1csc(NC(=O)c2cccc(NC(=O)NCc3ccccc3)c2)c1C#N 586636639 FZNGZPRLNYYQJA-UHFFFAOYSA-N 432.549 5.491 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@](C)(C#N)Cc1ccc(Cl)cc1 698453754 FSSAQKCIKALOMX-NRFANRHFSA-N 449.776 6.369 30 10 IKEE O=C(Nc1ccc(F)cc1)[C@@H]1CC(=O)N(Cc2cccs2)C(=Nc2ccccc2)S1 1083964237 MWRKCDNGVHFKEV-IBGZPJMESA-N 439.537 5.048 30 10 IKEE CCOc1cc(C=NNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(F)cc1 1084282567 FJRNGQCLICRDAM-UHFFFAOYSA-N 443.862 5.811 30 10 IKEE CC/N=C1/S/C(=C\c2ccc(Br)cc2)C(=O)N1N=Cc1ccc(C)cc1 1084437707 UVFWNRVHTCTAGT-QHQVPPTPSA-N 428.355 5.084 30 10 IKEE O=C(Nc1ccccc1Cl)[C@H]1CC(=O)N(Cc2ccccc2)C(=Nc2ccccc2)S1 1084487113 FXUROMYZTXFDIL-OAQYLSRUSA-N 449.963 5.501 30 10 IKEE COc1ccc(/C=C/C(=O)[C@@H]2CC[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]23C)cc1 1088741841 PEGAPZRVEJMUDP-FLQDWDHNSA-N 434.620 6.217 30 10 IKEE CC1=C[C@@]2(C)C=C(C)[C@H]3[C@H](C(C)=C[C@@]3(C)[C@@H]1C)[C@@H]2/C=C/C(O)=C1/C(=O)[C@H]2CCCN2C1=O 1613882137 WDPIULZTNJKEMP-AINHWKICSA-N 433.592 5.305 30 10 IKEE Cn1cc(/C=C2/C[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]3(C)C2=O)c(-c2ccccc2)n1 1614437866 ZWJGCLYWSNNVLL-FSRSYHNOSA-N 438.571 5.911 30 10 IKEE C[C@H]1C/C(=N/c2ccc(F)cc2)c2cc(F)ccc2N1C(=O)c1cc(Cl)cc(Cl)c1 1615950684 WJWBTMQRHMJQCL-VKRVNKPYSA-N 445.296 6.831 30 10 IKEE Cc1c(C(=O)N2CCCc3ccccc32)oc2c1C(=NNc1ccc([N+](=O)[O-])cc1)CCC2 1772747696 NWUZZFSTSJAADV-UHFFFAOYSA-N 444.491 5.242 30 10 IKEE CC(=C\c1ccccc1)/C=C1/SC(=NN=Cc2cccs2)N(Cc2ccco2)C1=O 1772757775 TWXLBPYDFKOZOC-SRRAQVSTSA-N 433.558 5.794 30 10 IKEE CCOC(=O)c1sc(NC(=O)c2ccc3nc(-c4ccccc4C)oc3c2)c(C#N)c1C 1859736365 ZODGDQIXXNIIGE-UHFFFAOYSA-N 445.500 5.474 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)c1ccc(Br)cc1 1861339752 RRPHFGZHRREAOR-LJQANCHMSA-N 425.411 5.214 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccccc2)cc1 1862387112 DHPCHVAEIGHEFE-DEOSSOPVSA-N 435.564 5.423 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@@H]1c1cccc(F)c1)c1ccc(F)cc1F 1862413656 IBBZAOHBNZXYPR-JOCHJYFZSA-N 443.465 5.795 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2Cl)[C@@H]1c1ccccc1)c1cccc(Cl)c1 1862441367 GLBPRERFXVVJDK-OAQYLSRUSA-N 438.310 5.772 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCOc2ccccc2)cc1 1862442893 VPZMNUXOGBHYHT-QHCPKHFHSA-N 447.918 5.306 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccc(Cl)cc1)c1cccc(Cl)c1 1862445337 STODLYYVPFXWAT-OAQYLSRUSA-N 444.358 6.295 30 10 IKEE CCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc(C)c1 1862474989 ABQMZBHUAZNJPJ-SANMLTNESA-N 447.619 7.022 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2cccc(Cl)c2)cc1 1862476312 IGMXXKVWQUCJKT-DEOSSOPVSA-N 445.946 6.044 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCC2)cc1 1862481512 BSLJIQQSYSFWKG-DEOSSOPVSA-N 432.564 5.362 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2ccccc2F)c1 1862489617 DPPSYXUTCYQMRG-QFIPXVFZSA-N 435.520 5.325 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1cccc(C)c1 1862523464 IGRWIERZMHZYDI-KUHUBIRLSA-N 428.326 5.134 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1cccc2ccccc12 1862560546 FYRJAXMBYAIORT-DWXRJYCRSA-N 448.522 5.762 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1ccc(F)cc1F 1862639919 AIHZOZZZKAGSQL-OAQYLSRUSA-N 447.453 5.271 30 10 IKEE O=C(C1=C(O)C(=O)N(C23CC4CC(CC(C4)C2)C3)[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1 1862672578 DNJSEIGRBFQBJL-PHDLEGTPSA-N 449.497 5.512 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1Cl 1862675780 UAUZERAHOCTQTK-IVZQSRNASA-N 435.882 5.819 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862704109 RHQNNVGUTQGTQO-XMMPIXPASA-N 449.547 5.395 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCCCO)[C@@H]1c1ccc(Cl)cc1)c1ccc2ccccc2c1 1862712226 MRCNZIIQDOZLGR-HSZRJFAPSA-N 449.934 5.234 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2CCC(C)C)cc1 1862722676 WTGXXXRJVNMCPY-AREMUKBSSA-N 439.555 6.286 30 10 IKEE Cc1ccc(Cl)cc1NC1=C(c2ccccc2Cl)C(=O)N(c2ccc(C#N)cc2)C1=O 1863077447 NITUQMFZDMELAK-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2cccc(C)c2)=C(c2ccc(OCC)cc2)C1=O 1863569506 XPHKAPLKNCVBAM-UHFFFAOYSA-N 448.607 5.624 30 10 IKEE CCCCCCCCNC1=C(c2ccc(C)c(C)c2)C(=O)N([C@H](C)c2ccccc2)C1=O 1863608064 HMWYMLGEWVCQAX-JOCHJYFZSA-N 432.608 6.095 30 10 IKEE CCCCCCCCC(=O)Nc1sc(C(=O)OCC(C)C)c(C)c1C(=O)OCC 1866090359 FXVPNURVXSCGLW-UHFFFAOYSA-N 425.591 5.735 30 10 IKEE N#Cc1nnn(-c2ccc(Cc3ccccc3)cc2)c1NC(=O)c1cc(Cl)ccc1Cl 1870154014 MUIOCXAKDYSDFZ-UHFFFAOYSA-N 448.313 5.289 30 10 IKEE CCCCCCCCn1cc(OCCCCCC)c(=O)cc1CSc1nccn1C 1870186917 USTUIVCRBOHJJM-UHFFFAOYSA-N 433.662 6.194 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2C)c(CN(CCC)CCC)cc1=O 1870412703 HCGKNBOUBQCJSB-UHFFFAOYSA-N 426.645 6.176 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)OCCC(C)C)c(=O)cc1CN(C)C 1870579457 CYLJFHGWSOFFIJ-UHFFFAOYSA-N 436.637 5.019 30 10 IKEE CCCCCCCCn1cc(OCC(C)C)c(=O)cc1CNc1ccc(Cl)c(C)c1 1870857839 IGBQKRJGLBVFAA-UHFFFAOYSA-N 433.036 6.818 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1cc(C)c2c(c1)O/C(=C\c1cccs1)C2=O 1871370810 BDKJMTDLVBOYGE-JCMHNJIXSA-N 434.513 5.746 30 10 IKEE Cc1c(OC(=O)c2c(F)cccc2Cl)ccc2c1O/C(=C\c1ccc(F)cc1)C2=O 1871375285 CYKDTSGIEAHNNB-ODLFYWEKSA-N 426.802 5.762 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O)c1ccc(C(F)(F)F)cc1 1871376208 YYQBZLKWPYIEDN-JAIQZWGSSA-N 444.792 6.194 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4cccc5ccccc45)c3C)C2=O)cc1 1871377919 LHPCFEINLHZAKD-ONUIUJJFSA-N 434.491 6.546 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(=O)c(Oc4cccc(OC)c4)coc3c2)c1 1871389127 VBZFMJBAEIPQQF-UHFFFAOYSA-N 444.439 5.378 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4cccc(OC(=O)C(C)C)c4)c3C)C2=O)o1 1871390030 AWMPCTWRDPSJHV-XKZIYDEJSA-N 446.455 5.293 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3cc(OCCCOc4ccc(C)cc4)ccc3C2=O)c1 1871406686 TVRNKHBPXUZQMX-QQXSKIMKSA-N 446.499 5.476 30 10 IKEE COc1ccccc1/C=C1\Oc2c(ccc(O[C@@H](C)C(=O)Nc3ccccc3C)c2C)C1=O 1871410334 YIQCAXAAKFARGH-XHFXOGKZSA-N 443.499 5.334 30 10 IKEE CCCCCCCCCCN=c1nc(N2CCCC2)[nH]c(=Nc2ccccc2C(C)C)[nH]1 1871496269 KVOMKGGNOFUISX-UHFFFAOYSA-N 438.664 5.735 30 10 IKEE CCCCCCCCN=c1nc(N2CCCC2)[nH]c(=Nc2cc(Cl)cc(Cl)c2)[nH]1 1871539894 IRGMLYUIQJLMSL-UHFFFAOYSA-N 437.419 5.138 30 10 IKEE C=CCN(CC=C)c1nc(=NCc2ccccc2F)nc(Nc2ccc(C(C)(C)C)cc2)[nH]1 1871556759 RJTHSIFIVCKNKD-UHFFFAOYSA-N 446.574 5.264 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)CCCC 1871942180 JNRRNUOGPGUGGK-GOSISDBHSA-N 435.417 5.109 30 10 IKEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1872059425 KCEMRINPLQIPTE-QFIPXVFZSA-N 446.588 5.043 30 10 IKEE N#C[C@@H](C(=O)c1ccc(F)c(F)c1F)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872770502 WNRCXOAHVNIDDR-JTQLQIEISA-N 427.234 6.024 30 10 IKEE Cc1ccccc1OCCCC(=O)[C@H](C#N)c1nc(-c2ccc(C(C)(C)C)cc2)cs1 1872773799 YMHRSKMRTUHOMG-NRFANRHFSA-N 432.589 6.452 30 10 IKEE CCCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3cccs3)cs2)cc1OCC 1872773909 BETUAOFUKDAQEK-INIZCTEOSA-N 426.563 5.939 30 10 IKEE N#C[C@@H](C(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1nc(-c2cccc3ccccc23)cs1 1872774932 GMMRSLBLCFMKST-VIOKTNGOSA-N 425.469 5.761 30 10 IKEE N#C[C@@H](C(=O)Cc1ccccc1[N+](=O)[O-])c1nc(-c2cc(Cl)ccc2Cl)cs1 1872787978 UNBNICUZIKPACC-AWEZNQCLSA-N 432.288 5.444 30 10 IKEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)N[C@H](C)c3ccccc3)cc2[nH]1 1872806178 ZHTSSCBTSQNDCP-GOSISDBHSA-N 427.504 5.198 30 10 IKEE Cc1nc(SCc2cccc(C(=O)Nc3ccccc3OC(C)C)c2)c(C#N)c(C)c1C 1872893479 XNXPHBJZJDPQOW-UHFFFAOYSA-N 445.588 6.210 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2OC)C(=O)N([C@@H](CC)CCCCC)C1=O 1873153051 UAYJERNVHFMYSN-NRFANRHFSA-N 442.644 6.084 30 10 IKEE C=CCN1C(=O)C(Nc2cccc(OCCC)c2)=C(c2c(Cl)cccc2Cl)C1=O 1873289414 MBLXGXQJGPOQEM-UHFFFAOYSA-N 431.319 5.160 30 10 IKEE CCCCCCCCCCNC(=O)c1sc(-c2cc(OC)c(OC)c(OC)c2)nc1C 1873935075 GVJQKLNNOSWOMO-UHFFFAOYSA-N 448.629 6.015 30 10 IKEE C=C(C)CSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1cccc2ccccc12 1874269937 WZFWMTUPJDZGAH-RDRPBHBLSA-N 448.595 6.726 30 10 IKEE CCCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1cc(OC)ccc1OC 1874279493 JXMGNHFZBYRPKT-BUVRLJJBSA-N 444.988 5.118 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2)n1/N=C/c1c(Cl)cccc1Cl 1874317831 NBTCVPASDWHAPF-BUVRLJJBSA-N 449.407 5.981 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1ccccc1Cl 1874320491 UJCKBJKTQVQLOR-WYMPLXKRSA-N 426.973 5.678 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2ccccc2C)nnc1-c1ccccc1 1874426080 QJBUMOIVIIQTSV-OVVQPSECSA-N 442.588 6.217 30 10 IKEE CCOc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccc(F)cc2)c1 1874437147 MLRMRMAMVQHKHE-MFKUBSTISA-N 426.561 5.579 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2ccc(Cl)cc2)cc1 1874455371 OVDKBQNTBCPNKC-YDZHTSKRSA-N 441.944 5.672 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CCCC2)cc1 1874457388 NMXZAIGEKLSBQA-MFKUBSTISA-N 425.001 6.326 30 10 IKEE CCCCc1nnc(SCCc2ccccc2)n1/N=C/c1cccc(Br)c1 1874478661 LMRDALRZQYFXOI-XQNSMLJCSA-N 443.414 5.600 30 10 IKEE CCc1ccc(/C=N/n2c(S)nnc2CCCOc2ccc(Cl)cc2Cl)cc1 1874570957 QDEJNQXNPPAYSC-YDZHTSKRSA-N 435.380 5.330 30 10 IKEE O=C(COc1ccccc1/C=C/C(=O)c1ccc(Cl)c(Cl)c1)NCc1ccco1 1874578699 BYOAFKHLOJTGEF-CSKARUKUSA-N 430.287 5.178 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccccc2)c1 1874587293 FMCCCZCZLWVNAZ-JLHYYAGUSA-N 436.935 6.613 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1OCc1ccc([N+](=O)[O-])cc1 1874597282 DIAZSIYGHAVOPY-RVDMUPIBSA-N 439.467 6.232 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1OCc1cccc(Cl)c1 1874599703 ZWMJKAVWGYXWPR-PKNBQFBNSA-N 434.963 7.057 30 10 IKEE Cc1cccc(NC(=O)COc2cccc(/C=C/C(=O)c3cc(Cl)ccc3Cl)c2)c1 1874600765 BYZCCQHONJSUGM-DHZHZOJOSA-N 440.326 6.215 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 1874604820 HCSZFLMCYAZPKP-KPKJPENVSA-N 441.354 7.040 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)c1 1874605210 JUUQQUADRVAUFB-FMIVXFBMSA-N 449.459 5.096 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OC 1874613230 JMKGJZWOEQYPQK-ACCUITESSA-N 449.934 5.825 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(OC)c1OCC(=O)OCC(C)C 1874623690 QGLCFBOIOQVSBY-OUKQBFOZSA-N 448.515 5.331 30 10 IKEE CCCN(CCC)C(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(F)cc2)cc1OC 1874625035 IXSUELYXGRJHHY-IZZDOVSWSA-N 447.934 5.411 30 10 IKEE CCCOC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OCC 1874627703 RWTBTOGKMDGARA-VMPITWQZSA-N 438.854 5.245 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc(Br)c1OC 1874635284 JNXHAAVYVYIHIH-PKNBQFBNSA-N 431.370 6.358 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC(=O)C34CC5CC(CC(C5)C3)C4)c2)cc1 1874695980 CBEMQYOPTXXDPR-JLHYYAGUSA-N 442.599 7.047 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OC(=O)COc2c(C)cccc2C)c1 1874704423 OIUUYCMXURKTCD-OUKQBFOZSA-N 430.500 5.501 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCCOc3ccccc3Cl)c2)cc1C 1874714478 XSAIECXMRIUTOP-FYWRMAATSA-N 448.946 6.618 30 10 IKEE C=CCN(CC=C)CCC(=O)c1ccc(OC(=O)c2ccc(-c3ccccc3)cc2)cc1 1874741687 KPURBOKYPJDSIB-UHFFFAOYSA-N 425.528 5.820 30 10 IKEE CCCCCCCCC(=O)Nc1ccc(C(=O)CCN(CCO)Cc2ccccc2)cc1 1874757250 LWPNIFFLBBHVLM-UHFFFAOYSA-N 438.612 5.443 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc4ccccc4n3C)c(Cl)c2)cc1 1875100079 MRIAMQIZUOYZMX-GXDHUFHOSA-N 443.930 6.509 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc(OC)c3)cc2Cl)cc1 1875102830 PTBUAZXNHGLAHA-NTUHNPAUSA-N 436.891 5.863 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OC(=O)c1cccc(Cl)c1 1875110388 IJWAYFGKCQOVHX-ZRDIBKRKSA-N 441.310 6.507 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(OC)c1OC(=O)c1cccc(F)c1 1875115162 PLFLLBDNIAWINR-NTEUORMPSA-N 446.474 5.687 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)Cc1ccc(F)cc1 1875133653 FSBKLYVQXNIPCD-MDWZMJQESA-N 432.491 5.885 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)CCc1ccccc1OC 1875136943 NOYKBEHCARGUKP-LFIBNONCSA-N 444.527 5.837 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)C(c3ccccc3)c3ccccc3)cc2)c1 1875137749 CATKZDHEVQOKMW-LVZFUZTISA-N 446.546 6.937 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)c3cc4ccccc4n3C)cc2)c1 1875145128 ATCMBNKARDTVOG-GXDHUFHOSA-N 441.483 5.311 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1ccc(C)cc1 1875151628 VAJFIZSVSJHDOY-IZZDOVSWSA-N 430.456 5.238 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1)c1ccc(F)c(F)c1 1875161996 RDJGKYPCOFSKIW-IZZDOVSWSA-N 443.243 5.843 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)c1cccc(F)c1 1875167031 ZYYJXPIKROOAFD-FMIVXFBMSA-N 448.490 5.965 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)[C@@H]1CCCO1 1875183646 MAKVNHYIFJWSMM-YSESTWPTSA-N 434.532 5.329 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1)c1cccc(Cl)c1 1875191466 NQFAMRGIRGRFCS-IZZDOVSWSA-N 431.702 6.762 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)[C@@H](CNC(=O)OC(C)(C)C)CCCC12CCC2 1924816200 BXCUPJLJTRIGFP-CEYNDMKZSA-N 449.636 5.779 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)C1(C#N)CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 1950149289 XDKABAMDYLOCDO-BIOCXDLKSA-N 435.609 5.486 30 10 IKEE Cc1cc(C#N)ccc1[C@@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 1951858810 YZYSICZHSSXDFX-RUZDIDTESA-N 440.499 5.311 30 10 IKEE C=CCCCCCCCC[C@@H](NC)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2026309606 GVILAKLBVKTPMZ-DNQXCXABSA-N 432.649 5.991 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@H](C(C)C)N(Cc2ccccc2)C1 2029763605 MSOCQZOYWUTQFT-SHQCIBLASA-N 433.596 5.929 30 10 IKEE C=C(C)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@H](O)C[C@@H](O)[C@@]34C)[C@H]12 2053639383 SWEUJTWPRYKNNX-KXHCJWJLSA-N 442.728 6.996 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)Cc2ccc(Br)cc2Cl)C1 2062978888 ITEKEXWBIRPUMO-UHFFFAOYSA-N 428.754 5.075 30 10 IKEE COc1ccc([C@@H](C2CCC2)n2nc(C(C)C)c(C#N)c2I)cc1C 2079938591 GAGUCLACQUTTDK-LJQANCHMSA-N 449.336 5.189 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cccc(Br)c1Cl 2081382498 MAVGDZWCYQKKRO-DOTOQJQBSA-N 429.786 5.060 30 10 IKEE N#Cc1c(C2CCCC2)nn2c(Cl)cc(-c3cc(F)c(F)cc3Br)nc12 2081404712 OTGQOSZZMZYBSU-UHFFFAOYSA-N 437.675 5.620 30 10 IKEE CCc1cc(Br)c([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(C)c2)s1 2089744186 UDVSQRWFRFNSKR-KRWDZBQOSA-N 435.387 6.388 30 10 IKEE C=C([C@@H](NCCC)c1cc(Br)ccc1I)C(C)(C)C 2096625815 VMHNQWIZVJPEPT-OAHLLOKOSA-N 436.175 5.697 30 10 IKEE CC[C@]1(Nc2cc(Br)cc(F)c2C#N)CCCN(C(=O)OC(C)(C)C)C1 2107449257 GDVUSESLNZXYHI-IBGZPJMESA-N 426.330 5.051 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCCCC(F)(F)C1 2112643542 MDIUASIIZWHVLH-GOSISDBHSA-N 429.305 6.052 30 10 IKEE N#Cc1cc(F)c(N[C@@H]2CCN(Cc3ccccc3)CC23CCC3)cc1Br 2154920061 GUCIJDSIZRVHPR-OAQYLSRUSA-N 428.349 5.317 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@H]1Nc1cc(Br)cc(C#N)c1 2162332751 AIIPQOLXJNKJHK-YJBOKZPZSA-N 434.378 5.206 30 10 IKEE CC1(C)CCCN(Cc2ccccc2)[C@@H]1CNc1cc(Br)cc(F)c1C#N 2184357926 IHZUBTBWSXSVLP-OAQYLSRUSA-N 430.365 5.563 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H](C)CN(C(=O)OC(C)(C)C)[C@H]2C)c1 2220389258 DMVXTSKKLMSVQF-WYEJZRMESA-N 443.588 5.664 30 10 IKEE CCCCCC#CCC(=O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237414876 IHDNJHJRDOYQHR-LJQANCHMSA-N 436.390 5.428 30 10 IKEE CCc1ccc(C#CC(=O)c2ccc(Br)cc2NC(=O)OC(C)(C)C)cc1 2239725189 KIEFRRDGELCWOH-UHFFFAOYSA-N 428.326 5.593 30 10 IKEE C=C(F)C[C@H](OCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2261901477 DGJSUVZGVZRXBU-DEOSSOPVSA-N 436.479 5.860 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1cc(Br)cc(C(C)(C)C)c1 2273003216 MBOQFTUYCKAOJC-MSOLQXFVSA-N 425.411 5.477 30 10 IKEE N[C@H](C#Cc1ccc(Br)cc1)c1ccc(Br)cc1Br 2278775145 RORLLXXOKPCVGH-OAHLLOKOSA-N 443.964 5.026 30 10 IKEE CCc1ccc(N=C2SC(=Cc3cn(C)c4ccccc34)C(=O)N2C2CCCCC2)cc1 2293704405 SQKWGNBLDPPRJC-UHFFFAOYSA-N 443.616 6.677 30 10 IKEE CC(C)Oc1ccc(C=C2SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1Cl 2294013991 QJHJGFVRCCFXEU-UHFFFAOYSA-N 441.767 6.326 30 10 IKEE O=C(C=CN1CCN(Cc2ccc(Cl)cc2Cl)CC1)c1ccc(OC(F)F)cc1 2294873495 DWKVQCMBWKZEIQ-UHFFFAOYSA-N 441.305 5.109 30 10 IKEE C=CCn1c(C=C(OC(=O)c2ccccc2Cl)c2ccccc2Cl)nc2ccccc21 2297320822 DMVWZXPNMCKVFE-UHFFFAOYSA-N 449.337 6.884 30 10 IKEE CC(C)(C)OC(=O)NC1([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)CCCCC1 2302429493 VJSYKJOYOVIQHJ-LJQANCHMSA-N 435.609 5.676 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@@H]2C[C@H]1C[C@@H]2NC(=O)OC(C)(C)C 2308988559 XYKMGLHAKOKUNN-NUDCOPPTSA-N 441.572 5.322 30 10 IKEE CCOc1ccccc1C=CC(=O)c1ccc(OC(=O)c2c(OC)cccc2OC)cc1 2314429839 PYAQCORYDKVTBV-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)c(OC)c1 2314429855 QHPSERXWJBCYDW-UHFFFAOYSA-N 444.527 6.117 30 10 IKEE COc1ccc(C=C2SC(=Nc3cccc(C)n3)N(C3CCCCC3)C2=O)cc1OC 2314540278 NBNJEVXUEXEMEG-UHFFFAOYSA-N 437.565 5.344 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(C(C)(C)C)cc1 2318573950 BIFLSKHEQSOZCR-UHFFFAOYSA-N 427.017 6.356 30 10 IKEE COc1ccc(Br)cc1C=NNc1oc([C@@H]2C[C@@H]2c2ccccc2)nc1C#N 2320837388 UZKBZQMEHSNFKV-IAGOWNOFSA-N 437.297 5.034 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OCC=Cc4ccccc4)c3C)C2=O)c1OC 2321815498 IIZLIVNEXCMQBM-UHFFFAOYSA-N 428.484 5.721 30 10 IKEE COc1ccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3ccc(Cl)cc3)C4)C2=O)cc1 2322305380 JFCNDWHFDQATDC-UHFFFAOYSA-N 447.918 5.625 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccccc2C=CC(=O)c2c(C)c(C)cc(C)c2C)c1 2322836694 WVNIQJVVHAMQEZ-UHFFFAOYSA-N 441.571 6.451 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OCC(=O)Nc2cc(C)cc(C)c2)c1 2323177253 QNZOEOCMRUGYPO-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)c1 2323485479 OBAJPAAXCVPWJB-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE CCCCOc1ccc(C=Nn2c(COc3ccccc3)nnc2SC)cc1OCC 2323585112 DWUZTNNETMTVHW-UHFFFAOYSA-N 440.569 5.039 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccccc2Cl)cc1[N+](=O)[O-])Nc1ccccc1 2323606874 IVQASZLGPNBDQO-UHFFFAOYSA-N 436.851 5.162 30 10 IKEE Cc1cc(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc2c1C(=O)C(=Cc1ccccc1)O2 2323701638 DCUFWBVIOWEQHA-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OCC(=O)Nc1ccccc1C 2323767826 ANUQVWVXLBVMHK-UHFFFAOYSA-N 449.934 5.961 30 10 IKEE CCOc1cc(C=NNc2nc(-c3ccccc3)c(C)s2)cc(Br)c1OC 2323840800 XQSXGPIKGXTEGW-UHFFFAOYSA-N 446.370 5.734 30 10 IKEE COC(=O)COc1c(Br)cc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OC 2324169823 YSWPOOYBFVXSNJ-UHFFFAOYSA-N 447.325 5.029 30 10 IKEE COc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1C)OC(=Cc1ccc(F)cc1)C2=O 2324473831 NHLPZZVHKUERRD-INIZCTEOSA-N 447.462 5.165 30 10 IKEE C=C(C)COc1c(OCC)cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc1[N+](=O)[O-] 2324538361 UJVMWIDCEIXRBW-UHFFFAOYSA-N 445.899 5.815 30 10 IKEE CCCOc1c(Cl)cc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1OC 2324588920 WBJKGEYPVZLBNX-UHFFFAOYSA-N 429.727 6.349 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@@H](C#N)C(=O)C=Cc2cccc([N+](=O)[O-])c2)n1 2324847657 RFVGAHVARUGGKU-KRWDZBQOSA-N 439.880 5.270 30 10 IKEE O=C(C=Cc1ccc([N+](=O)[O-])s1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 2325683935 XHLOSIGLEHLQRX-UHFFFAOYSA-N 428.853 5.323 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2cccs2)C3=O)cc1Cl 2325729031 OVNILERIAXJTEU-UHFFFAOYSA-N 425.893 5.344 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cccc(OC(=O)CCCOc3ccccc3Cl)c2)c1 2325740429 BSXITBXSEHNUBF-UHFFFAOYSA-N 448.946 6.618 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OC(=O)Cc1ccccc1[N+](=O)[O-] 2325741016 YMGFPHHAVMYHLX-UHFFFAOYSA-N 449.434 5.095 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1OC(=O)Cc1ccc(C)c(C)c1 2325752904 QKOSHLJNAQUGHR-UHFFFAOYSA-N 436.454 5.634 30 10 IKEE CCCCC(=O)Oc1cc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)ccc1OC 2325755964 LWAMBJDBSSGHPD-UHFFFAOYSA-N 437.319 6.002 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2cccc(OC(=O)[C@H](C)c3ccccc3)c2)c1 2325758414 MOPLODHULNCROS-HXUWFJFHSA-N 444.527 6.089 30 10 IKEE CCCOc1cc(C=Nn2c(CC)nnc2SCc2cc(C)ccc2C)ccc1OC 2326592274 PSXPKPXUASETRB-UHFFFAOYSA-N 438.597 5.429 30 10 IKEE CCc1ccc(C=Nn2c(CCc3cccc4ccccc34)nnc2SCCCO)cc1 2326618237 HLDOCGFVTNATEF-UHFFFAOYSA-N 444.604 5.136 30 10 IKEE CCCSc1nnc(Cc2ccc(OC)c(OC)c2)n1N=Cc1ccc(C(C)C)cc1 2326772043 UTMJEGNUPZBKMR-UHFFFAOYSA-N 438.597 5.394 30 10 IKEE CCSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1ccc(C(C)(C)C)cc1 2327177406 HQRPKWYHULWUOM-UHFFFAOYSA-N 436.625 5.890 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3C)n2N=Cc2cccnc2)c(C)c1 2328880231 SKYQJEZEYNMKAF-UHFFFAOYSA-N 443.576 5.352 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2C)n1N=Cc1cccc2ccccc12 2329485100 XGYNNVXKQPNDFN-UHFFFAOYSA-N 426.589 6.075 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@@H](C)c3ccccc3)n2N=Cc2ccccc2F)c1 2330110391 JTKOFPCBAFFTKA-FQEVSTJZSA-N 444.579 6.360 30 10 IKEE COc1cccc(C=Nn2c(CC3CCCCC3)nnc2SCc2cccc(F)c2)c1 2330249390 ZWMDEGHFQSFQDV-UHFFFAOYSA-N 438.572 5.723 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-] 2330603676 VKMXHOBATBYUCC-UHFFFAOYSA-N 429.472 6.254 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(CC)cc2)cc(OC)c1OC(=O)c1ccncc1 2330767807 LABBUBZTKAJKGT-UHFFFAOYSA-N 427.500 5.496 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(OC)cc3)c(OC)c2)cc1 2330769967 KQAYTFXDKVBAHW-UHFFFAOYSA-N 430.500 5.310 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3ccccc3C)cc2)c1 2330777041 GSICTEZLULJECT-UHFFFAOYSA-N 430.500 5.664 30 10 IKEE CCOc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2cccc(F)c2)cc1 2330824545 JZEHOOUGQXOSEU-UHFFFAOYSA-N 426.561 5.579 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CC(C)(C)C)nnc1SCc1cc(C)ccc1C 2330849440 LMWUWVKQYBFDTK-UHFFFAOYSA-N 448.636 6.223 30 10 IKEE CCOc1cc(C=Nn2c(CC(C)(C)C)nnc2SCCc2ccccc2)ccc1O 2330854607 PQIPZYNQYAOABN-UHFFFAOYSA-N 438.597 5.188 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)c1cnc(C)cn1 2331155300 PTTFZYNLJKTFEJ-UHFFFAOYSA-N 448.906 5.291 30 10 IKEE O=[N+]([O-])c1cccc(C=Nn2c(SCc3ccccc3Cl)nnc2-c2ccco2)c1 2331210570 PRTICMGGFLZGST-UHFFFAOYSA-N 439.884 5.274 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3ccccc3)c([N+](=O)[O-])c2)cc1 2331273639 KOFGKVIWJGOMGH-UHFFFAOYSA-N 445.471 5.564 30 10 IKEE COCCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccccc1F 2331309085 UZFIEANUCNYMLA-UHFFFAOYSA-N 439.343 5.087 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)Cc1ccc(Cl)cc1 2331329866 PZESBNCCFQZCCU-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C(C)(C)C)c(OC)c1 2331396564 PPKWVQZDOIKUQX-UHFFFAOYSA-N 444.988 5.421 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)C(C)C)c(Cl)c2)cc1 2331543345 BONOWYHWRVIWMA-UHFFFAOYSA-N 442.983 7.147 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1 2331592119 OZSKLWISXSKUAK-UHFFFAOYSA-N 440.539 7.251 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(C)=O)c(Br)c2)c1 2331674619 ASRFOFIZKCAXIE-UHFFFAOYSA-N 433.298 5.068 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(Cl)c3)cc2)cc1 2331814979 NUZLVHQZVALOIK-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3cc(C)cc(C)c3)c(Cl)c2)cc1C 2331841141 YNQHYWMEDYROED-UHFFFAOYSA-N 448.946 6.698 30 10 IKEE N#Cc1ccc(CSc2cc(I)ccc2Br)cc1F 2338400889 GPOPRGBVNFXPGQ-UHFFFAOYSA-N 448.098 5.357 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C#N)(c1nc3ccc(Br)cc3s1)C2 2360274706 VGASNEXLXUEISK-KBPBESRZSA-N 448.386 5.382 30 10 IKEE COC1(C#C[C@@H](O)c2ccc(NC(=O)OC(C)(C)C)c(Br)c2)CCCCC1 2363524172 PSCGHYJQWBALNE-GOSISDBHSA-N 438.362 5.182 30 10 IKEE CCN[C@@H](C#Cc1nccs1)c1cc(Cl)c(NC(=O)OC(C)(C)C)c(Cl)c1 2363540598 ZMWNYZNLVOKIPD-HNNXBMFYSA-N 426.369 5.499 30 10 IKEE CC[C@H](N[C@@H](C)c1cnn(Cc2ccccc2)c1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363830773 PYNUKOKWCHCKAA-CPJSRVTESA-N 445.416 5.033 30 10 IKEE CCCCOc1ccc(/C=C2\CN(CC)C/C(=C\c3ccc(OCCCC)cc3)C2=O)cc1 12604718 YLBPZFUDYOLCMF-FQHZWJPGSA-N 447.619 6.416 30 10 IKEE C(=C/c1ccccc1)\C1=NN(c2ccc(/C=N/Nc3ccccc3)cc2)[C@H](c2ccccc2)C1 15773232 RBLGNQNHYNUEHW-BALUTMSOSA-N 442.566 7.153 30 10 IKEE COc1cc(OC)cc(-c2nnc(SCc3cccc(C#N)c3)n2-c2ccccc2)c1 35847628 JPOYACSFEAWDRS-UHFFFAOYSA-N 428.517 5.115 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)c(C)c2)[C@@H]1c1cccc(OC)c1 40091757 IFYRQPXLAYCBDI-QHCPKHFHSA-N 437.536 5.171 30 10 IKEE C=CCNC(=O)c1cc(-c2csc(-c3ccc(OC)cc3)n2)n(Cc2cccs2)c1C 43251664 DDVDTBDFCXRWIG-UHFFFAOYSA-N 449.601 5.621 30 10 IKEE CCCCOc1ccc(C(=O)/N=C(\NCc2ccncc2)Nc2ccc(C(C)C)cc2)cc1 45940651 JXQVZOGDMCAZCR-UHFFFAOYSA-N 444.579 5.782 30 10 IKEE CC/C(=N/Nc1nc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n[nH]1)c1ccccc1 59020603 PHKAHJDCNZKVMG-JLPGSUDCSA-N 449.367 5.069 30 10 IKEE CCCCCCCC(=O)N1CCN(c2nc(C)nc(C)c2Cc2ccccc2Cl)CC1 98021327 AWFZNGZUDJNSBR-UHFFFAOYSA-N 443.035 5.347 30 10 IKEE CCCCCCCCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(C)c(F)c2)c1 98021499 OIGFNNCBOPHFKK-VWLOTQADSA-N 442.600 6.602 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)CNc1ccc(C(=O)NC)cc1 100116548 KARQASWIVUADAS-UHFFFAOYSA-N 431.665 6.056 30 10 IKEE CCCCCCCOc1cccc(NC(=O)c2ccccc2OCCc2ccccc2)c1 100246512 OJAIFRMVIFIBTG-UHFFFAOYSA-N 431.576 6.910 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2 100347552 YVJKBHYLMIKQLY-KHCICDEESA-N 446.418 7.875 30 10 IKEE CCOc1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 102501564 MHYAJTQWIMJGKN-RKKARLDVSA-N 433.891 5.365 30 10 IKEE CCCCCCCCCCOc1ccc(C2=N/C(=C/C=C\c3ccccc3)C(=O)O2)cc1 103299512 QUQXTDLJMPDNBJ-FTPXOBQYSA-N 431.576 7.107 30 10 IKEE CCCCCCCN1C(=O)COc2ccc(-c3csc(-c4ccccc4Cl)n3)cc21 103749278 JABYFKGLBKKWPQ-UHFFFAOYSA-N 440.996 6.826 30 10 IKEE CCCCCCCCCCCCCCCCNC(=S)NC(=O)/C=C\c1ccc(C)o1 109967132 WLFXKQUTRVYZRM-VXPUYCOJSA-N 434.690 7.073 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccc(O)cc1)c1cc2ccccc2o1 169958509 WNPGKRAJFGBGCY-JOCHJYFZSA-N 447.393 5.200 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2cccs2)c1 169989449 OPVASTYPGFBUKT-QFIPXVFZSA-N 435.520 5.325 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2c2cccc(C)c2)c1 170035722 ALGDLLDWUMEVBY-RUZDIDTESA-N 441.527 5.739 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccccc2F)c1 170069146 MTRMYPPNQZCYRZ-NRFANRHFSA-N 437.854 5.271 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2c[nH]c3ccccc23)c1 170074608 PYXUXCDSUAINPZ-NRFANRHFSA-N 443.528 5.333 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1c[nH]c2ccccc12 170078116 HWJQQPFHJMBWKQ-QHCPKHFHSA-N 430.504 5.088 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccco2)c1 170089713 IOSNHNBMESJODQ-OAQYLSRUSA-N 437.879 5.505 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(OC)cc2)cc1 170113556 YENORXIIYDWYNQ-DEOSSOPVSA-N 443.499 5.267 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1ccc(O)cc1 170136880 UMAGPXQNBYTIHA-FQEVSTJZSA-N 425.868 5.170 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2C[C@@H]2CCCO2)c1 170143546 XQYYKBJISRKUFR-XUZZJYLKSA-N 447.575 5.358 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccccn2)cc1 170172090 GYXXLABJHRSVTE-XMMPIXPASA-N 442.515 5.270 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2)cc1 170226239 DGPUVYUQGHJDAT-RUZDIDTESA-N 441.527 6.039 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccccc2)cc1 170229555 WHKBZPWNPJQVLQ-QFIPXVFZSA-N 435.426 5.146 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@H]2c2ccccc2C)cc1 170276770 SMKLAOMZUYGABU-DEOSSOPVSA-N 435.564 5.942 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)cc(OC)c3o2)[C@@H]1c1ccccc1C 170277206 PIKKKVYBCLZGHM-FQEVSTJZSA-N 439.895 5.392 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccco2)cc1C 170281101 AWZMLIKNOJIYSU-XMMPIXPASA-N 445.515 5.893 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1ccco1)c1cccc2ccccc12 170290834 LCANXRMQMHMNPI-JOCHJYFZSA-N 431.394 5.494 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1ccco1)c1ccc2ccccc2c1 170290929 NANLLPUQTKVNMU-JOCHJYFZSA-N 431.394 5.494 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(C)o1 170302662 IMZZUTUOMDPJDS-HSZRJFAPSA-N 445.515 5.677 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1cccc2ccccc12)c1ccccc1 170370138 HGAXIJOMBQFGKR-DEOSSOPVSA-N 439.898 6.276 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCc2ccc(F)cc2)cc1 170471239 JHZYIASOBINDCI-QHCPKHFHSA-N 447.506 5.537 30 10 IKEE CN1/C(=C/C(=O)CSc2nnc(-c3ccccc3Cl)n2C)C(C)(C)c2ccccc21 197615120 BZYIBIJACMZIGF-DEDYPNTBSA-N 438.984 5.108 30 10 IKEE O=[N+]([O-])c1cc(-c2ccc(C=Nc3nc4ccccn4c3-c3ccco3)o2)ccc1Cl 252591159 AYBYEPHXICIWIQ-UHFFFAOYSA-N 432.823 6.167 30 10 IKEE CC(=O)Oc1ccc(-c2ccc(C=Nc3ccccc3-c3nc4ccccc4s3)cc2)cc1 252624272 PKMWEESBDJNQFX-UHFFFAOYSA-N 448.547 7.306 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1ccc2ccccc2c1 253569738 MSLIIDNNSGJZMQ-UHFFFAOYSA-N 448.979 5.977 30 10 IKEE CC(=NNS(=O)(=O)c1ccc(Br)cc1)c1ccc(C2CCCCC2)cc1 254519838 LMOSHJHFJUSRRG-UHFFFAOYSA-N 435.387 5.199 30 10 IKEE COc1cc(C=NNc2nc3ccccc3s2)cc(OC)c1OCCOc1ccccc1 254813397 KJKSTWALRSJEDE-UHFFFAOYSA-N 449.532 5.217 30 10 IKEE CC(C)Oc1ccc2ccccc2c1C=Nc1oc(-c2ccco2)c(-c2ccco2)c1C#N 254876840 YAGABWFIBDLYFJ-UHFFFAOYSA-N 436.467 7.362 30 10 IKEE CSc1nnc(-c2ccco2)n1N=Cc1ccc(COc2cc(Cl)ccc2Cl)o1 254878101 WXHHTZMORISANW-UHFFFAOYSA-N 449.319 5.621 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(F)cc(Br)c1)NCCC 407501418 LFPGTMYHYFTQQI-RTBURBONSA-N 443.401 5.358 30 10 IKEE C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CC=C(c5ccc(Cl)cc5)CC4)[C@@H]3C[C@H]12 504765706 IUHODRMRSHJGHQ-PJNXIOHISA-N 426.000 5.743 30 10 IKEE biogenic CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccc(O)c2)cc1Cl 526523595 YSBAKSSRELAWRY-HSZRJFAPSA-N 446.890 5.373 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccc(Cl)c2)c1OC 526606308 DEMYYVLSACQYLM-QFIPXVFZSA-N 446.890 5.286 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2ccc(Cl)cc2Cl)[C@H]1c1cccs1 526608884 PDMFDUAYFJGAPH-LJQANCHMSA-N 427.312 5.984 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1ccc(N(CC)CC)cc1 526802351 GRFQUCPAHITLEH-ONUIUJJFSA-N 439.604 5.781 30 10 IKEE Cc1cc(C)c([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)c(C)c1 698443381 IXBRNPULUJTFEF-IBGZPJMESA-N 429.358 6.381 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@](C)(C#N)Cc1cccc(F)c1 698448927 ZIZJAVUFSGNETC-NRFANRHFSA-N 433.321 5.855 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1cccc(F)c1Br 698483158 ARLFHNNKOZDECT-INIZCTEOSA-N 435.293 5.603 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)c(F)c1F)NCC 701300176 REVURTHBLVHNAD-HZPDHXFCSA-N 447.364 5.107 30 10 IKEE CC(=NN1C(=O)c2ccccc2N[C@H]1c1ccc(Cl)cc1Cl)c1ccccc1O 725325940 PSLBUIMSVOPXPB-OAQYLSRUSA-N 426.303 5.690 30 10 IKEE CCCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc3c(c2)CCO3)cc1 917612123 IGDAVNLYFXEECK-UHFFFAOYSA-O 442.564 5.056 30 10 IKEE Cc1cc(C)c(CSc2n[nH]c(NN=Cc3cccc(Oc4ccccc4)c3)n2)c(C)c1 1084175907 GBASGQMYLGRTNM-UHFFFAOYSA-N 443.576 6.261 30 10 IKEE C=C(C(=O)c1ccccc1)[C@@H](c1ccccc1)[C@H](CN1CCCCC1)C(=O)c1ccccc1 1088715411 XLNXTWALOUGVKR-NSOVKSMOSA-N 437.583 6.194 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=Nc1ccccn1 1772731557 NSKRMJINOBNDSP-SCORJZKRSA-N 444.343 6.272 30 10 IKEE COc1ccc(/C=C2/SC(=Nc3nccs3)N(C3CCCCC3)C2=O)c(OC)c1 1772737136 WMDGKJUHQFGOCB-OKZFSLEBSA-N 429.567 5.097 30 10 IKEE COc1ccc(NC(=S)N/N=C\c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 1857810779 FOQMCMUEFIEREG-QQXSKIMKSA-N 441.560 5.177 30 10 IKEE N#Cc1cccc(NC(=O)Oc2cccc3c(NC(=O)c4ccc(F)cc4F)cccc23)c1 1858779160 NTMKZWSNQOFOGH-UHFFFAOYSA-N 443.409 5.853 30 10 IKEE Cc1ccc(-c2cc(C(=O)Nc3ccccc3C#N)nn2-c2cccc(Cl)c2)cc1C 1859394675 RXVNPUMHNOZADL-UHFFFAOYSA-N 426.907 5.934 30 10 IKEE Cc1ccc2nc(-c3ccc(NC(=O)C(=O)/C=C/c4ccc(F)c(C)c4)cc3)sc2c1 1860730539 QQMKRPJUFOVWFC-LFYBBSHMSA-N 430.504 5.940 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CCCCCC2)cc1 1862414213 UXVLSDVQTWXNFO-QHCPKHFHSA-N 439.502 5.828 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(Cl)cc1Cl 1862443947 RZXGOQCPBLUOLL-BBATYDOGSA-N 438.738 6.024 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1c(F)cccc1Cl)c1cccc(Cl)c1 1862449352 JWTASOGQDSZQGT-IBGZPJMESA-N 446.261 5.504 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(C(F)(F)F)cc1 1862468098 ZBXZWFWNBIXGJQ-KRWDZBQOSA-N 443.343 5.109 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862478523 JGCCSMZWMWUWNE-VWLOTQADSA-N 441.527 5.481 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2c(Cl)cccc2Cl)cc1 1862482584 RITNYFRZTWVLTA-FQEVSTJZSA-N 448.346 5.043 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccccc2C)c1 1862490616 ZRMCFBQWCYMSFE-RUZDIDTESA-N 425.528 5.699 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(OCCC)cc1 1862536816 IIICPSHRSFKBNK-DEOSSOPVSA-N 435.564 5.806 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2c(Cl)cccc2Cl)cc1 1862539707 WCPZZRBISLJMKL-HXUWFJFHSA-N 448.346 5.171 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc2cc[nH]c2c1 1862545652 FTYZJIZPWZSUSJ-DEOSSOPVSA-N 428.532 5.425 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCCCc2ccccc2)cc1 1862554386 BHSUHFMIUJSWLK-RUZDIDTESA-N 440.543 5.178 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc([N+](=O)[O-])cc1 1862654240 KLZJRYAHPVGANB-HSZRJFAPSA-N 444.487 5.372 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccccc1C 1862660995 AVMCRQQICYQFBG-SANMLTNESA-N 447.619 7.057 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccc(Cl)c1 1862661766 RYCIWRNMWKSVNF-JOCHJYFZSA-N 441.955 5.468 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccccc1C(=O)O 1862665090 YWFXSDUHDKXJNT-JOCHJYFZSA-N 435.520 5.277 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@@H]1c1ccc(F)cc1F)c1ccc(F)cc1 1862675911 WFLBGCCZQSCXCB-OAQYLSRUSA-N 441.380 5.022 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2cccc(F)c2)cc1 1862688606 XLTSTCXCHVPZTL-XMMPIXPASA-N 445.490 5.045 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)cc1 1862703946 NESSGZHFHZHLDC-CUHUQNRHSA-N 449.547 5.251 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(OCCCC)cc1 1862721745 REJJTJKGCIUWSH-VWLOTQADSA-N 441.527 5.783 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cccc(F)c2)=C(c2ccc(F)cc2)C1=O 1863136760 DRXXOOXVAQSWMI-UHFFFAOYSA-N 440.534 6.298 30 10 IKEE N#Cc1ccccc1NC1=C(c2ccc(Cl)cc2)C(=O)N(Cc2cccc(Cl)c2)C1=O 1863179683 AYBRGVRHPZINFZ-UHFFFAOYSA-N 448.309 5.257 30 10 IKEE Cc1ccc(-c2nc(Nc3ccccc3C#N)cc(N3C[C@H](C)Cc4ccccc43)n2)cc1 1868327586 XFMXCZYBCBFARA-HXUWFJFHSA-N 431.543 6.398 30 10 IKEE CCCc1nc(Nc2ccccc2C#N)cc(N2[C@@H](Cc3ccccc3)COCC2(C)C)n1 1868397545 CHZWHLMSPPSLAD-QFIPXVFZSA-N 441.579 5.271 30 10 IKEE C=CCn1cc(OCc2c(C)noc2C)c(=O)cc1CSc1nc2ccccc2s1 1870302912 VJTJWMJDMZMWMI-UHFFFAOYSA-N 439.562 5.120 30 10 IKEE CCCCCCCOc1cn(CCC)c(CNc2ccc(Br)cc2C)cc1=O 1870832015 MYEFSKXYGKAKPB-UHFFFAOYSA-N 449.433 6.291 30 10 IKEE CCCCCCCOc1cn(C[C@H](C)O)c(CNc2cc(Cl)cc(Cl)c2)cc1=O 1870836680 PZZCJOXMDAZTQO-INIZCTEOSA-N 441.399 5.497 30 10 IKEE CCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CNc1cccc(OC)c1 1871058375 BQHOZVLTHBAKPZ-UHFFFAOYSA-N 426.601 6.175 30 10 IKEE CCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CNc1ccc(Cl)cc1 1871058611 JGHYTUISBKQMFG-UHFFFAOYSA-N 431.020 6.819 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3cc(OC(=O)CC4CCCCC4)cc(C)c3C2=O)c1 1871380643 ZJODEXSPLOADIU-UCQKPKSFSA-N 436.504 5.504 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3cc(-c4ccc(Cl)cc4)c(=O)oc3c2)c1 1871388610 FPITZBCDDRVOIS-UHFFFAOYSA-N 432.859 5.897 30 10 IKEE CCCCOC(=O)COc1ccc2c(c1C)O/C(=C\c1ccccc1Br)C2=O 1871400074 FQTMYWVGXUQVDT-UNOMPAQXSA-N 445.309 5.096 30 10 IKEE Cc1ccccc1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O 1871409839 SVIVWBSNUCITAB-ICODJCHTSA-N 447.918 5.979 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)c(C)c1 1871411458 OBWCDCPKOPPSGN-ZKDCOOFMSA-N 431.463 5.465 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccc(C)cc4Cl)c3C)C2=O)c1 1871436153 OEYBGVDVBNCVMZ-QRVIBDJDSA-N 447.918 5.899 30 10 IKEE CCOC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\c2c(F)cccc2Cl)C3=O)o1 1871439450 ZYGCXQWKPKBBFW-NHDPSOOVSA-N 442.826 5.444 30 10 IKEE Cc1c(OCC(=O)Nc2nc3ccccc3s2)ccc2c1O/C(=C\c1cccs1)C2=O 1871443071 YKMVSNNHPHQMKY-WQRHYEAKSA-N 448.525 5.300 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2cccs2)C3=O)cc1 1871450146 CXLVDRVRTCBADW-ZGWJWYQGSA-N 433.529 5.895 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4C(C)C)ccc3C2=O)cc1 1871456178 QJERMXZOOUOORP-YSMPRRRNSA-N 441.527 6.006 30 10 IKEE Cc1cc(C)c(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)c(C)c1 1871459390 XVGWDKHGPVJXEB-FMCGGJTJSA-N 447.918 5.899 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 1872526811 JXYNJPYYMAENRK-XMMPIXPASA-N 442.625 5.232 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(Cl)cc1 1872527627 GYANSSNCCOGGKM-QFIPXVFZSA-N 449.016 5.331 30 10 IKEE N#C[C@H](C(=O)C12CC3CC(CC(C3)C1)C2)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872762280 IGSKKCKZYMYYBN-DNTLAJCMSA-N 431.388 6.510 30 10 IKEE CCCCC1CCC(C(=O)[C@@H](C#N)c2nc(-c3cc(OC)ccc3OC)cs2)CC1 1872770987 JHDJWYBYNHZWOR-LBXVMSDZSA-N 426.582 6.000 30 10 IKEE COc1ccc(OC)c(-c2csc([C@@H](C#N)C(=O)c3ccccc3Br)n2)c1 1872771615 XVPWLPCFRYFXGT-HNNXBMFYSA-N 443.322 5.080 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3cccc([N+](=O)[O-])c3)n2)c(C)c1C 1872778288 ICOBOQDEZSYOGR-XSBJJCPUSA-N 433.489 5.233 30 10 IKEE Cc1cc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)ccc1F 1872779317 HATYHZMSJDRDMQ-JOCHJYFZSA-N 442.515 6.469 30 10 IKEE CCCc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc1 1872787864 AADJSGTVXZBUMJ-IBGZPJMESA-N 440.952 5.680 30 10 IKEE CCCCCCCCNC1=C(c2ccc(-c3ccccc3)cc2)C(=O)N([C@@H](C)CC)C1=O 1873089102 UEPOUNQUJQSEGF-NRFANRHFSA-N 432.608 6.182 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C)c(C)c2)=C(c2c(C)cc(C)cc2C)C1=O 1873331291 CWHBUNIJWGESOU-UHFFFAOYSA-N 446.635 6.781 30 10 IKEE C=CCN(CC=C)c1nc(Nc2ccc(F)c(Cl)c2)c2cnn(-c3ccccc3)c2n1 1873481906 XAWSPNVYFAWKLU-UHFFFAOYSA-N 434.906 5.530 30 10 IKEE O=c1c(Cl)c(N/N=C/c2ccc(-c3ccccc3Cl)o2)cnn1-c1ccccc1 1873498352 GGZGNYZKPPYPRN-WYMPLXKRSA-N 425.275 5.245 30 10 IKEE C=CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1cccc(Cl)c1 1874217410 APZAWHHYHBYHIL-WYMPLXKRSA-N 447.391 5.941 30 10 IKEE C=C(C)CSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccccc1C(=O)O 1874269820 PUBYOVSAIFOIHW-CVKSISIWSA-N 442.544 5.271 30 10 IKEE CCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874283084 OISWJFLKSZDUDL-PCLIKHOPSA-N 427.017 6.008 30 10 IKEE CCOc1ccc(Cc2nnc(SCC)n2/N=C/c2cccc(Br)c2)cc1 1874302604 HBBHYKFXKXVQAY-HYARGMPZSA-N 445.386 5.024 30 10 IKEE CCCOc1ccccc1/C=N/n1c(CCCOc2ccccc2)nnc1SCCC 1874317716 IBHLXKRTKUPBGX-NCELDCMTSA-N 438.597 5.463 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3F)n2/N=C/c2cccnc2)cc1C 1874321051 XEMCPDWESQJFOK-MZJWZYIUSA-N 447.539 5.183 30 10 IKEE CCCCOc1ccc(/C=N/n2c(Cc3ccc(C)cc3)nnc2SC)cc1OCC 1874388291 FGELRGGXSBRFDI-KOEQRZSOSA-N 438.597 5.359 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccccc1O 1874399273 LEKFIFZRXJKNQN-CIRUFVMISA-N 448.979 5.963 30 10 IKEE Cc1cccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccc([N+](=O)[O-])cc2)c1 1874406304 GAOXNLVXKZOTJG-PCLIKHOPSA-N 449.580 5.792 30 10 IKEE Cc1ccccc1/C=N/n1c(Cc2cccs2)nnc1SCc1ccc(Cl)cc1 1874413984 VWJVJZZJGRGCKB-ZVHZXABRSA-N 439.009 6.067 30 10 IKEE FC(F)(F)c1nnc(SCCc2ccccc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874461571 UPPJQSKLFBPXBV-BHGWPJFGSA-N 445.297 5.821 30 10 IKEE COCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1cccc2ccccc12 1874474040 JSUWLTUTJCDKOC-MFKUBSTISA-N 436.968 5.448 30 10 IKEE C=CCSc1nnc(CCCC)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874479282 SILVGCSWEUBYJD-PCLIKHOPSA-N 441.000 6.013 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2ccccc2Cl)c1 1874511488 AMGBHISFOMFQAB-WYMPLXKRSA-N 441.988 5.285 30 10 IKEE Cc1cccc(C)c1NC(=O)CSc1nnc(C(C)C)n1/N=C/c1c[nH]c2ccccc12 1874513197 LRSDPWRMOMZWIS-LGJNPRDNSA-N 446.580 5.113 30 10 IKEE CCCSc1nnc(C(C)C)n1/N=C/c1cccc(OC)c1OCc1cccc(C)c1 1874515444 XVQRVRRYBXFHJE-MFKUBSTISA-N 438.597 5.682 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(SCc2cc(C)ccc2C)nnc1C1CC1 1874519668 GBGCMDKSXFUZJH-JFLMPSFJSA-N 442.588 6.109 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CC2)cc1 1874520467 OBQZDPMGGZQKNY-MFKUBSTISA-N 441.000 6.162 30 10 IKEE CCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1/N=C/c1cccc2ccccc12 1874522235 JCENLTKEATYCFG-CVKSISIWSA-N 443.576 5.224 30 10 IKEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1c(F)cccc1Cl 1874535728 UCUGWYWZRJLERZ-GZIVZEMBSA-N 429.735 5.860 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/n2c(S)nnc2CC(C)C)cc1OCC 1874559196 CNKQJBQYMHFCSL-XIEYBQDHSA-N 446.661 6.176 30 10 IKEE CCCCC1CCC(c2nnc(S)n2/N=C/c2ccccc2OCc2ccccc2)CC1 1874563423 AZRGPXUMQJNQAB-OVVQPSECSA-N 448.636 6.492 30 10 IKEE CCCNC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(Cl)cc1Cl 1874573348 JDWXVIFUJWIXEC-XVNBXDOJSA-N 426.727 5.448 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)NCc2ccco2)cc1 1874584019 RQMCMXSFFMWKLU-PKNBQFBNSA-N 437.923 5.648 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1OCc1cccc(Cl)c1 1874592934 JSMQKFQTOSPZRE-UKTHLTGXSA-N 432.947 6.703 30 10 IKEE CCc1ccccc1NC(=O)COc1cccc(/C=C/C(=O)c2ccc3ccccc3c2)c1 1874593004 NCXQEYPDRQVVJA-SAPNQHFASA-N 435.523 6.316 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3cc(C)ccc3C)c(OC)c2)cc1 1874613860 RBODKKMPTPWFKX-NTEUORMPSA-N 446.543 6.194 30 10 IKEE C=C(C)COc1c(OCC)cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 1874615638 IWRJDWBWADRFCR-VMPITWQZSA-N 436.291 6.151 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1F 1874621831 WURURUAVWBSGAX-YRNVUSSQSA-N 431.290 6.616 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(OC)c1OCCc1ccccc1 1874625025 IKNHKXDHDBIWQM-SFQUDFHCSA-N 440.583 7.065 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3cccc(Cl)c3)c2)cc1OC 1874699044 AVVKODPFTOPGLQ-PKNBQFBNSA-N 436.891 5.401 30 10 IKEE Cc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1[N+](=O)[O-] 1874707751 VKALQKMWWMDNPR-OQLLNIDSSA-N 443.499 6.316 30 10 IKEE CCCCCCCCC(=O)Oc1cccc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)c1 1874715657 ZRYMECLMQOHGBF-CCEZHUSRSA-N 442.983 7.209 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OC(=O)c1cccc(Cl)c1 1874716318 MVUPGFMBFKKQIC-CSKARUKUSA-N 434.919 6.389 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc([N+](=O)[O-])c1OC(=O)C(C)C 1875095469 REZNDQWPVGEOPI-FMIVXFBMSA-N 433.460 5.604 30 10 IKEE Cc1cnc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3Cl)cc2Cl)cn1 1875104797 OORXARJWAXZQMJ-QHHAFSJGSA-N 447.705 5.861 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Br)cc2)cc(Cl)c1OC(=O)C1CCC1 1875108903 LZKBNIWHGPCQID-BJMVGYQFSA-N 449.728 5.713 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Br)cc2)cc(OC)c1OC(=O)CCC 1875111152 WKIRKUNXWGRZHA-MDWZMJQESA-N 443.337 5.788 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3cccc(OC)c3)c(OC)c2)cc1 1875115036 JNLBPNCNGDYPPF-VGOFMYFVSA-N 446.499 5.147 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Br)c1OC(=O)CC 1875125639 SMDVGKREBMSYHF-BJMVGYQFSA-N 437.717 5.713 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccco2)c(Br)c1)c1ccc(Cl)cc1 1875126162 SNJSRUVXBHPUPM-YCRREMRBSA-N 431.669 5.811 30 10 IKEE COc1ccccc1CC(=O)Oc1c(OC)cc(/C=C/C(=O)c2ccc(C)cc2)cc1OC 1875133138 GVXMQJAFUTYBLQ-SDNWHVSQSA-N 446.499 5.065 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)C(F)(F)F 1875140794 YBBFABYDLKWSOD-BQYQJAHWSA-N 426.818 5.719 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Br)c1OC(=O)CC 1875142820 VIAHTRUEBJAXEZ-RMKNXTFCSA-N 435.289 5.507 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2cc(Cl)ccc2OC)cc1 1875143900 WSRAKTARGSEZSG-YRNVUSSQSA-N 436.891 5.781 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)c3ccccc3)c([N+](=O)[O-])c2)cc1F 1875152332 SPDXJZBCFJQNDM-KXKDPZRNSA-N 449.434 5.348 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)c1[nH]c2ccc(C)cc2c1C 1875159310 MRSRLZCVWUYZSF-LFYBBSHMSA-N 443.474 6.048 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)cc2)cc1 1875168858 XUNLPJAGLRPUPG-LFIBNONCSA-N 442.555 6.363 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)c1ccco1 1875185322 RLMWATHHZXOPOG-JLHYYAGUSA-N 432.516 6.400 30 10 IKEE O=C(Cc1ccccc1Cl)Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1 1875191475 OHHTTXCEBAHDAE-KPKJPENVSA-N 445.729 6.691 30 10 IKEE CN1CCCN([C@H](C#N)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CC1 1875685644 GGWWVLHFZVDXMS-AREMUKBSSA-N 441.575 5.047 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](CNC(=O)OC(C)(C)C)CC1CCCC1 1922086188 OIYDWNVFMADTAQ-JWQCQUIFSA-N 444.660 5.849 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](CC1CCCC1)NC(=O)OC(C)(C)C 1926576272 ZZVDBZZUCNYHLX-BJKOFHAPSA-N 430.633 5.601 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@H]3[C@H]2CCN3C(=O)OC(C)(C)C)c1 1949118834 RQFXOYNRSKFVQO-IMWIBFENSA-N 427.545 5.028 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@@]1(C#N)CCN(Cc2ccccc2)CC1(C)C 1949305578 VDWRTNKIDMYXOR-HSZRJFAPSA-N 426.565 5.118 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C(C)(C)C1 2013254485 YLEVLUMIMGFLLD-QHCPKHFHSA-N 449.617 5.415 30 10 IKEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@@H](C#N)[C@]1(C)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2022144052 HFNKUWCKJYFZHO-XOBRGWDASA-N 449.514 5.104 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CCC1CCC(NC(=O)OC(C)(C)C)CC1)NCC 2025176519 KTJICMVILZMHAF-FOJYNEPKSA-N 430.633 5.601 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@](C#N)(N(C(=O)OC(C)(C)C)c3ccccc3)CC[C@H]21 2027458202 QGADLUYGCKFNQY-BSWQBHCVSA-N 441.572 5.500 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CN(Cc3ccccc3)C3(CCC3)C2)cc1 2037913995 HHXINEKBRRNAGJ-MHZLTWQESA-N 431.580 5.828 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c1ccc(F)cc1)C2 2041700972 BVNYPBFHOJAPCO-HROJSSOGSA-N 445.535 5.391 30 10 IKEE CCCN[C@]1(C#N)C[C@@H](C)C[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)C1 2055022914 HEWHZCPRPVIFDH-HNPKZYAISA-N 432.656 5.071 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@H]2CC[C@H]1CN2C(=O)OC(C)(C)C 2071499979 BAXPLBGUNXZPJB-OSWQYVSFSA-N 441.572 5.418 30 10 IKEE CC(C)c1ccc([C@@H](C(C)C)n2nc(C3(C)CC3)c(C#N)c2I)cc1 2079954648 OWWDECSELVXZQK-GOSISDBHSA-N 447.364 5.780 30 10 IKEE Cc1cc(O)c([C@@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C(C)(C)C)cc1C 2080002583 ZRBKVAFMSGGQML-GOSISDBHSA-N 434.378 5.463 30 10 IKEE CC1(C)OB(c2cc(C(F)(F)F)cnc2N(Cc2ccccc2)CC2CCC2)OC1(C)C 2116140375 LVVRMWJFFDZFKG-UHFFFAOYSA-N 446.322 5.206 30 10 IKEE COc1ccc(C)c([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)c1 2145976099 PULXTMRFFCTADF-IBGZPJMESA-N 431.330 5.773 30 10 IKEE CC1CCC2(CC1)CC(C#N)(N(C(=O)OC(C)(C)C)c1cccc(Br)c1)C2 2156632466 YQUCXVKDJPNIQO-UHFFFAOYSA-N 433.390 6.443 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@H]2Nc2cccc(Br)c2C#N)C1 2162310820 RHFBWHXWGQFUMY-WIYYLYMNSA-N 434.378 5.302 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H](CNc2ccc(Br)cc2C#N)C1 2162334374 PRMUTDXVVLYPRW-INIZCTEOSA-N 434.378 5.160 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1c1ccc(Nc2ccc(C#N)c(Br)c2)cc1 2162388602 ZZJQHUACWHFELN-MJGOQNOKSA-N 428.330 5.445 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@](C#N)(Nc3ccccc3Br)C[C@@H]21 2166974132 PPJLOTPDRDCVJU-YWMUFLPLSA-N 434.378 5.323 30 10 IKEE CC(C)N(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1cc(Br)cc(C#N)c1 2174809580 BJBFQTBTAGETTM-SFHVURJKSA-N 436.394 5.325 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCCN1c1cc(Br)cc(C#N)c1 2174811838 CYTSSMIGLQKCKV-MOPGFXCFSA-N 434.378 5.079 30 10 IKEE CCCN(c1cc(Br)cc(F)c1C#N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2174812464 LGRHAKFCBYRXRZ-HNNXBMFYSA-N 440.357 5.076 30 10 IKEE CN(C(=O)OC(C)(C)C)[C@@H](CNc1ccc(C#N)cc1Br)c1ccccc1 2175021858 CTSILIBLSLSUKW-IBGZPJMESA-N 430.346 5.341 30 10 IKEE N#Cc1ccc(Cl)cc1Nc1ccc(Br)cc1I 2223652497 DTTFAYXGIWYBFA-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE C=C(C(=O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)c1ccccc1 2237431656 WTBCNVXRPCKAEA-IBGZPJMESA-N 430.342 5.167 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)cc1CC 2237544494 VFUIDXUQGJOAOF-PMACEKPBSA-N 437.422 5.359 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)cc1OC 2239668945 LNSKZACOOYUJGR-HKUYNNGSSA-N 441.410 5.358 30 10 IKEE CC(C)(C)OC(=O)NC[C@]1(C)CCC[C@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 2241895606 YWSLFIKHWTYJFY-LOSJGSFVSA-N 443.588 5.401 30 10 IKEE CCN[C@@H](CC=CC#CC(C)(C)C)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2248473700 KIHHLHXQKVUFGC-DEOSSOPVSA-N 426.645 6.178 30 10 IKEE CC(C)(C)OC(=O)NC[C@]1(C)CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2258857643 RVPVJEFCADSJHZ-LOSJGSFVSA-N 449.636 5.924 30 10 IKEE CC(C)(C)OC(=O)NC1(CC(=O)C#CC2CCCCC2)CCN(Cc2ccccc2)CC1 2260932355 LDYVARDMYPZMSO-UHFFFAOYSA-N 438.612 5.089 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](Nc2cc(Br)cc(C#N)c2)C[C@@H]1C(F)(F)F 2279309761 AVACKMXHPHTYFX-DZGCQCFKSA-N 448.283 5.063 30 10 IKEE C=CCCCCC[C@@H](NC)[C@](C)(O)c1cc(Br)c(Br)s1 2281234890 GCEIRSXWGUSGAQ-DOMZBBRYSA-N 425.230 5.205 30 10 IKEE CC(C)N(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1c(Br)cccc1C#N 2285219853 BFJFIMOEKSFMNG-INIZCTEOSA-N 436.394 5.183 30 10 IKEE O=C1C[C@H](c2ccc(Cl)cc2Cl)c2c(ccc3c2OC(=Cc2cccnc2)C3=O)O1 2297639730 BXNOBDTXRLWMJR-MRXNPFEDSA-N 438.266 5.446 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccccc1Br)C2=O)c1ccc(F)cc1 2314437261 HIFFCMKCCFYECZ-UHFFFAOYSA-N 439.236 5.424 30 10 IKEE C=CCOc1ccccc1C=C1SC(=Nc2nc(-c3ccccc3)cs2)N(CC)C1=O 2314544280 XRAZNEOERMRGDB-UHFFFAOYSA-N 447.585 5.999 30 10 IKEE CCCCCCCCCCn1c(CCNC(=O)C=Cc2ccccc2)nc2ccccc21 2314608924 SLBWJFPIKDUPEW-UHFFFAOYSA-N 431.624 6.549 30 10 IKEE C=CCC(CC=C)[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NC 2316681531 UHPQPRDUISMBQJ-XMMPIXPASA-N 441.660 5.292 30 10 IKEE CCCCCOc1ccc(C=Nn2c(S)nnc2C2CCC(CCCC)CC2)cc1 2322106749 IVSPRNAYFPCXEH-UHFFFAOYSA-N 428.646 6.482 30 10 IKEE CC(C)c1ccc(C=C2Oc3c(ccc4c3CN(CCC3=CCCCC3)CO4)C2=O)cc1 2322106762 LYTYHVGKQZVCRC-UHFFFAOYSA-N 429.560 6.469 30 10 IKEE CCCCCOc1ccccc1C=Nn1c(S)nnc1Cc1cccc2ccccc12 2322131465 DPLZOMRILOFHMB-UHFFFAOYSA-N 430.577 5.762 30 10 IKEE CCCc1ccc(OCc2nnc(S)n2N=Cc2cccc(Oc3ccccc3)c2)cc1 2322156491 RINVDSCUQXKPPO-UHFFFAOYSA-N 444.560 5.773 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc4c(c1)OCO4)C3=O)CN(C1CCCCCCC1)CO2 2322415449 VJDMMQSRQFVEAZ-UHFFFAOYSA-N 447.531 5.605 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2ccc(C)cc2C)cc1 2322457277 LQELXIREQCOOEH-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(F)c(C)c2)c1OCC(=O)Nc1ccc(C)c(C)c1 2322638326 RXSBVVQJKKCMKU-UHFFFAOYSA-N 447.506 5.673 30 10 IKEE Cc1cccc(NC(=O)COc2ccccc2C=CC(=O)c2ccc(C(C)(C)C)cc2)c1 2322681174 MUZYEOLJTPVHIP-UHFFFAOYSA-N 427.544 6.206 30 10 IKEE COc1cccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)c1OCc1ccccc1F 2322968960 CHOZJVBZCSOWQN-UHFFFAOYSA-N 432.535 6.915 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3nc(O)c4ccccc4n3)cc2)cc1C 2323559959 ZYNJRLSVNCKGOB-UHFFFAOYSA-N 426.472 5.128 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3cccc(Cl)c3)c([N+](=O)[O-])c2)cc1C 2323561945 KVXMZWVHENGCOA-UHFFFAOYSA-N 437.879 6.040 30 10 IKEE Cc1cc(OC(=O)CCc2ccccc2)cc2c1C(=O)C(=Cc1ccc(N(C)C)cc1)O2 2323725265 BKHDYIXYUHHKEU-UHFFFAOYSA-N 427.500 5.215 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OCC(=O)Nc1cccc(C)c1C 2323780571 DNYRNRUUWDMLFV-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE COc1cc(C=NNc2nc(-c3ccc(F)cc3)cs2)cc([N+](=O)[O-])c1OC(C)C 2323865328 NDQCASVEDAQLTN-UHFFFAOYSA-N 430.461 5.099 30 10 IKEE COc1ccc(OC)c(C=C2Oc3c(ccc(OCCCOc4ccccc4)c3C)C2=O)c1 2324234783 QYWMBQIJQUOLCR-UHFFFAOYSA-N 446.499 5.476 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1cccc(C)c1)C2=O 2324339088 CAVNOJSQHBUEMW-IBGZPJMESA-N 441.527 5.888 30 10 IKEE C=CCOc1c(Br)cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1OC 2324378453 HSSRPJAUKKYXAV-UHFFFAOYSA-N 431.326 5.544 30 10 IKEE C[C@H](NC(=O)COc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O)c1ccccc1 2325009135 PQRNKIMALWOOOI-INIZCTEOSA-N 433.891 5.212 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(O)c(OCC)c1 2325528846 UZUFQXJAHNWMOJ-UHFFFAOYSA-N 444.988 5.553 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1cc(OC)ccc1OC 2325535289 FMOUGRKLBWPHHR-UHFFFAOYSA-N 444.988 5.466 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(C(=O)O)cc1 2325535966 GKSMRRUBZJMWKA-UHFFFAOYSA-N 446.935 5.286 30 10 IKEE CCOc1ccc(C=Nn2cnnc2SCc2cccc3ccccc23)cc1OCC 2325666223 OYMOLGOZXIOUMT-UHFFFAOYSA-N 432.549 5.403 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccc(F)cc3F)c2)cc1 2325704128 MCIUKKGBJSHWBP-UHFFFAOYSA-N 436.454 5.580 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)CCc3cccc(OC)c3)c2)cc1 2325704677 NCNFPUQYULBBBJ-UHFFFAOYSA-N 444.527 5.701 30 10 IKEE Cc1cccc(COc2ccc3c(c2C)OC(=Cc2cccc(Br)c2)C3=O)c1 2325720926 CMILKVOCAJSNCY-UHFFFAOYSA-N 435.317 6.261 30 10 IKEE COc1ccc(OCCCC(=O)Oc2cc(C=CC(=O)c3ccccc3)ccc2OC)cc1 2325731262 UWAFWEHGXUJVCG-UHFFFAOYSA-N 446.499 5.365 30 10 IKEE CCOc1cc(C=Nn2cnnc2SCc2ccc(C)cc2C)cc(Cl)c1OCC 2326432470 HPFFABXELCVXMA-UHFFFAOYSA-N 444.988 5.520 30 10 IKEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1c(C)n(C)c2ccccc12 2326490031 BEQYVDJMJNKIMA-UHFFFAOYSA-N 444.391 5.868 30 10 IKEE CCCSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1ccc(C(C)(C)C)cc1 2328568909 XQORQRJHRRGVLS-UHFFFAOYSA-N 436.625 5.949 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(Cl)cc3)n2N=Cc2ccccn2)cc1 2329065461 OPFWPBYXIZKLGN-UHFFFAOYSA-N 433.968 5.400 30 10 IKEE Fc1cccc(CSc2nnc(Cc3ccc(Cl)cc3)n2N=Cc2ccccn2)c1 2329085449 QKSMXVAMLCTTIP-UHFFFAOYSA-N 437.931 5.231 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2cccc(O)c2)cc1C 2329432789 QGBHBOOJVWHRND-UHFFFAOYSA-N 442.588 5.408 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccccc1O 2329473326 GNEWIWYPDLTTBL-UHFFFAOYSA-N 446.551 5.391 30 10 IKEE CCSc1nnc(CCc2ccccc2C)n1N=Cc1cccc(Br)c1 2329483826 DMUOFINDYBBWMA-UHFFFAOYSA-N 429.387 5.128 30 10 IKEE Cc1ccc(CSc2nnc([C@H](C)c3ccccc3)n2N=Cc2cccc(C)c2)cc1 2330050160 IEFZYWWMQZEJEI-OAQYLSRUSA-N 426.589 6.221 30 10 IKEE Cc1ccc(CSc2nnc([C@H](C)c3ccccc3)n2N=Cc2cccc(Cl)c2)cc1 2330052608 SJXUQFLGBXMNQT-LJQANCHMSA-N 447.007 6.566 30 10 IKEE Clc1ccccc1C=Nn1c(CC2CCCCC2)nnc1SCc1ccccc1 2330272594 WEENOOXPEYBWIF-UHFFFAOYSA-N 425.001 6.229 30 10 IKEE Fc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccccc2Cl)cc1 2330275704 DSIFQKOHKHGGSD-UHFFFAOYSA-N 442.991 6.368 30 10 IKEE C=CCSc1nnc(CC2CCCCC2)n1N=Cc1cc(Br)ccc1O 2330277755 TZUKHGIJTHRKNF-UHFFFAOYSA-N 435.391 5.029 30 10 IKEE Cc1ccsc1C=Nn1c(Cc2cccs2)nnc1SCc1ccc(F)cc1 2330335501 SPLJRULYPRZGFX-UHFFFAOYSA-N 428.583 5.614 30 10 IKEE FC(F)(F)c1cccc(CNC(=S)NN=Cc2cccc(OCc3ccccc3)c2)c1 2330456231 VYBBKEWXCRBTGY-UHFFFAOYSA-N 443.494 5.283 30 10 IKEE C=CCOc1ccccc1C=Nn1c(Cc2ccccc2)nnc1SCc1ccccc1 2330491607 FYONZAJQAFGSTP-UHFFFAOYSA-N 440.572 5.608 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(OC)c2)ccc1OC(=O)CC(C)(C)C 2330731936 JJDQOWHRHVHKBB-UHFFFAOYSA-N 426.509 5.340 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc(F)c(F)c1 2330805351 XVVJDFKPGWKYSF-UHFFFAOYSA-N 433.237 6.387 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc(F)c2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 2331025562 OIPOFOBEVCMIFQ-UHFFFAOYSA-N 425.799 5.503 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccncc3)cc2)cc1OCCC 2331109153 GIGYTOYXRSDIMZ-UHFFFAOYSA-N 445.515 5.775 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H]3CCCO3)cc2)cc1OCCC 2331109188 KKKRRPNCGFXMOW-DEOSSOPVSA-N 438.520 5.245 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)c1sccc1C 2331335800 OGGXDKJBHVDQLH-UHFFFAOYSA-N 440.492 5.637 30 10 IKEE CCCCc1nnc(SCCC)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2331342814 ZCPLEVDCWGCXOJ-UHFFFAOYSA-N 443.016 6.237 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)COc1cccc(C)c1C 2331349153 WJFGOXIKNNBHEG-UHFFFAOYSA-N 448.490 5.640 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1Cl)c1ccc(F)cc1F 2331473235 VBBIHVXPYRLKJK-UHFFFAOYSA-N 448.852 6.887 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3c(C)cc(C)cc3C)cc2)cc1 2331764388 KVGKBPZBQQPTRJ-UHFFFAOYSA-N 442.555 6.445 30 10 IKEE CC(C)c1ccc(Cn2nnc(C#N)c2NC(=O)C=Cc2ccc(Cl)cc2Cl)cc1 2332148131 JKKLOJDVWKYQPT-UHFFFAOYSA-N 440.334 5.280 30 10 IKEE CC[C@@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2333319586 UVFOCYGYACXLAY-FHWALSNQSA-N 426.685 7.412 30 10 IKEE Cc1cc(Oc2ncccc2B2OC(C)(C)C(C)(C)O2)c(C)cc1NC(=O)OC(C)(C)C 2338943016 CCJWUPDEXYNHKR-UHFFFAOYSA-N 440.349 5.137 30 10 IKEE CC[C@@H](C)N(CCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2339578330 FTEKESATWDZZFM-KAUXGEHWSA-N 446.397 5.141 30 10 IKEE CCCN[C@@H](C#Cc1cccs1)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2363632149 PXJNWDCGXXUGSO-SFHVURJKSA-N 449.414 5.950 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@H](C#N)c1c(Cl)ccc(Cl)c1Cl 2364579897 IGOHPBLNDRKZIO-OAHLLOKOSA-N 429.706 6.792 30 10 IKEE CC(C)(C)c1cc(Cl)c(O)c(/N=C/c2cc(Cc3ccccc3Cl)ccc2O)c1 1948870 ZVIFEYBAIZYPAK-MZJWZYIUSA-N 428.359 7.044 30 10 IKEE O=[N+]([O-])c1cc(/C=N/c2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)ccc1Cl 3113148 AGVLQDFKPWXIJJ-YSURURNPSA-N 446.677 7.114 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)nc2ccccc12 12239998 GFGYXQAKIXRUOY-SDNWHVSQSA-N 435.531 5.550 30 10 IKEE CSCCCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)S/C1=N/c1cc(C)ccc1C 14358719 LEPXUNDDOVPBMB-XATRHVNRSA-N 441.578 5.569 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(C(C)(C)C)cc2)cc1OC 21225432 VRCBTBWLALUGJE-PZJWPPBQSA-N 447.575 5.396 30 10 IKEE COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccccc1OC 21253508 ZNZRVYAPQWFLFB-CBZJRKILSA-N 426.516 5.683 30 10 IKEE CN1C/C(=C/c2c(Cl)cccc2Cl)C(=O)/C(=C\c2c(Cl)cccc2Cl)C1 33728055 AXNTZYSTRSDTCJ-JMVBYTIWSA-N 427.158 6.282 30 10 IKEE C=CCOc1ccc(-c2nc(C(=O)Nc3cccc(C(F)(F)F)c3)cs2)cc1OC 34712240 MUQFGMPMIVBGPL-UHFFFAOYSA-N 434.439 5.655 30 10 IKEE COc1ccccc1-c1ccc2oc([C@@H]3CCCN3C(=O)Nc3ccc(C#N)cc3)nc2c1 34908984 VXRWJJCXEXIGDX-QFIPXVFZSA-N 438.487 5.744 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccccc2F)c1)c1ccc(Br)cc1 34954033 QNKKBVDFHHAPGO-MDWZMJQESA-N 425.253 5.704 30 10 IKEE O=C1/C(=C/c2cccc([N+](=O)[O-])c2)Oc2cc(OCc3ccc(Cl)c(Cl)c3)ccc21 39754128 PGFROWDKLDOAAB-FBHDLOMBSA-N 442.254 6.097 30 10 IKEE C=CCc1ccc(OCCCCn2c(-c3ccc(C)cc3C)nc3ccccc32)c(OC)c1 40210786 PPRWORZAGKSJGF-UHFFFAOYSA-N 440.587 6.916 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccccc1OC(F)F)C2=O)c1ccc(F)cc1 41292187 VIJHMEUSIIWQIR-JAIQZWGSSA-N 426.346 5.263 30 10 IKEE COc1ccccc1/C=N\N=C1\S/C(=C\c2ccccc2C)C(=O)N1Cc1ccco1 47138452 YCRFEXKUVGRSPU-QXZAMSPYSA-N 431.517 5.103 30 10 IKEE Fc1cccc(Cl)c1/C=N/c1ccc2nc(SCc3ccc(Cl)cc3)sc2c1 59501364 UOIKRVRCIVMZCI-OPEKNORGSA-N 447.387 7.785 30 10 IKEE COc1cc(/C=N/c2cccc(Cl)c2Cl)ccc1OCc1cccc(C(=O)O)c1 59679075 YGEUBAMGTWELDF-BRJLIKDPSA-N 430.287 6.030 30 10 IKEE CCCCCCOc1ccc(/C=N/Nc2nnc3c4ccccc4n(CC)c3n2)cc1OC 64981378 PBROQBRWXCUXJG-YZSQISJMSA-N 446.555 5.413 30 10 IKEE C=C1CC[C@@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@@H]1CC[C@H]2[C@@H](C)/C=C/[C@](C)(O)C(C)(C)O 96030772 BPEQZNMKGFTMQE-FLAFYQJESA-N 428.657 5.871 30 10 IKEE COc1ccc(OC)c(N=C2SCCN2C(=O)C(c2ccccc2)c2ccccc2)c1 96585583 XKBQTJFFZKWTAY-UHFFFAOYSA-N 432.545 5.099 30 10 IKEE O=C(C[C@@H]1S/C(=N/c2ccccc2)N(c2ccccc2)C1=O)Nc1cccc(Cl)c1 100404182 ZSWLOYHPSHLOFC-FXFSXJFASA-N 435.936 5.505 30 10 IKEE O=C(/C=C\c1nnsc1N1CCC(Cc2ccccc2)CC1)c1ccc2ccccc2c1 101385625 SUHNYIGYHJNVSM-SEYXRHQNSA-N 439.584 6.047 30 10 IKEE Sc1nnc(C2CCCCC2)n1/N=C\c1cccc(OCc2ccc(Cl)cc2)c1 169909995 NHBOYTWDZGEOJO-OYKKKHCWSA-N 426.973 5.729 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@@H]2c2cccc(OC)c2)cc1 169931063 YVSFPLAIYIXKCR-DEOSSOPVSA-N 443.499 5.049 30 10 IKEE CCN1C(=S)N[C@H](c2c(OCc3ccccc3)ccc3ccccc23)C(C(C)=O)=C1C 169933145 BEPFQQIANTWQKN-VWLOTQADSA-N 430.573 5.533 30 10 IKEE CCCCCCCCCOc1ccc([C@H]2NN=C3C4CCN(CC4)[C@@H]32)cc1Br 169940092 DMYCURPCKZGTRM-PKTZIBPZSA-N 448.449 5.673 30 10 IKEE COc1ccc(/C=N\Nc2nc(-c3ccc(F)cc3)cs2)cc1OCc1ccc(C)cc1 169940225 XHKDVHHCRJKKNP-VYYCAZPPSA-N 447.535 6.291 30 10 IKEE COc1cccc(/C=N\Nc2nc(-c3ccccc3)c(C)s2)c1OCc1ccccc1 169942740 LNGXJXWDNOOGTG-QQXSKIMKSA-N 429.545 6.152 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccc(O)cc1)c1cccc(Cl)c1 169961314 RZVMNXCBNYPXOM-FQEVSTJZSA-N 440.282 5.482 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccccc2)cc1 170054435 YJSIXZGEANYTRN-XMMPIXPASA-N 439.467 5.220 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccccc2)c1 170054779 FYWKJDMZRYOOKJ-DEOSSOPVSA-N 427.500 5.091 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C(F)(F)F)cc3)[C@@H]2c2ccco2)ccc1F 170095367 PVWVQUOWXQOKJL-LJQANCHMSA-N 445.368 5.529 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2C2CCCCC2)c1 170145276 QVNWOBAWNGWFDI-DEOSSOPVSA-N 433.548 5.693 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)cc2OC)[C@@H]1c1cccc(C)c1 170146704 XVTLNUYRZWXIQS-NRFANRHFSA-N 443.927 5.044 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(C)c2)cc1C(C)(C)C 170148439 WTSMLGCXJHUWSI-XMMPIXPASA-N 447.575 5.822 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2cccs2)cc1C 170158182 QIVHMPGMAHSIDC-HSZRJFAPSA-N 445.540 5.473 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccs2)cc1 170163892 JLTPWQIPVLZVJL-OAQYLSRUSA-N 425.550 5.448 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@H]1c1cccs1 170165501 NFRRFOILBIFKGF-OAQYLSRUSA-N 441.593 5.823 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccn2)ccc1OC(C)C 170169227 QUXPAYGJBWZREP-HSZRJFAPSA-N 446.478 5.099 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccn2)c1 170174197 VBNXZLVWZOTDKD-QFIPXVFZSA-N 448.906 5.225 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(Cl)ccc3OC)[C@@H]2c2cccnc2)cc1 170185791 DRTHXYAEAAIHPC-QFIPXVFZSA-N 448.906 5.089 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccccc2)c1 170223846 HPPGGXXSFPPQTD-SANMLTNESA-N 433.507 6.240 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(OC)ccc3OC)[C@H]2c2ccccc2)cc1 170224251 SSWOEWRHEMPDJR-XMMPIXPASA-N 443.499 5.049 30 10 IKEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(C(C)C)cc1 170244525 KHJJBUSTODIAFM-XMMPIXPASA-N 429.516 5.188 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@@H]1c1ccccc1F 170253396 DAQHTHDDJIMIBC-FQEVSTJZSA-N 445.918 5.565 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccc(O)c2)cc1 170259510 SCHWLEMIMYSFDS-HSZRJFAPSA-N 425.440 5.230 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2C)ccc1Cl 170273962 OMPAOOKMVGGURF-NRFANRHFSA-N 437.879 5.029 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccco2)c1 170281901 DSMQJJLRGQUKIB-OAQYLSRUSA-N 439.414 5.128 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2CCC)c1 170323579 COTRIRBOQXPIMO-NRFANRHFSA-N 443.927 5.126 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cccc(OC(C)C)c2)cc1 170348101 FXYWYODKOCDQTM-JOCHJYFZSA-N 449.528 5.327 30 10 IKEE CCCCCCCSc1nc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2s1 196079311 HSVGHVNJSBRRET-HZVDNRATSA-N 426.607 5.670 30 10 IKEE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/Oc3ccc(C)cc3C2=O)cc1F 213993353 ULTXWCFXYLKXNG-MFKUBSTISA-N 440.474 6.002 30 10 IKEE COc1cc(C=NN(Cc2ccccc2)c2ccccc2)ccc1OC(=O)c1ccco1 254741091 HGRZVSRUTIJBGD-UHFFFAOYSA-N 426.472 5.548 30 10 IKEE CC(=O)Nc1sc(=NN=Cc2ccccc2)n(Cc2ccccc2)c1-c1ccccc1 254826634 XGUBWCYBSJYEBU-UHFFFAOYSA-N 426.545 5.158 30 10 IKEE Cc1ccc(CON=Cc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1 254850968 HAOLRIXYPRMWKB-UHFFFAOYSA-N 437.539 6.704 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)ccc1F 407854573 GWVZOAMUJLTHLL-ROUUACIJSA-N 429.374 5.488 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccs2)c1 526518318 WYEYQSUEFGEWPB-QHCPKHFHSA-N 430.529 5.856 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccc(Cl)c2)c(OC)c1 526606323 DTGDZMJWKIIODJ-HSZRJFAPSA-N 446.890 5.286 30 10 IKEE CCOc1c(Cl)cc(/C=N\n2cnnc2SCc2ccc(Cl)cc2)cc1Cl 526806589 LJUQXLJQMLHRRT-AQHIEDMUSA-N 441.771 5.812 30 10 IKEE FC(F)(F)Sc1c(C(F)(F)F)ccc(I)c1C(F)(F)F 575379529 GRKUJEJKTDDTQK-UHFFFAOYSA-N 440.068 5.941 30 10 IKEE C=CCCN(c1cccc(OC(F)(F)F)c1)S(=O)(=O)c1ccc(OC(C)C)cc1 586255875 JAXDUZNQWJZPNE-UHFFFAOYSA-N 429.460 5.144 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1ccc(F)cc1Cl 698457704 QSYDPLXXBYSDBH-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE C[C@@H](C[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br)c1ccccc1 698482112 LUWPHBKBHIGEOB-WMZOPIPTSA-N 429.358 6.277 30 10 IKEE CC[C@@](C#N)(Cc1ccccc1)N(C(=O)OC(C)(C)C)c1ccccc1Br 698483163 UOBQSKFGGQERFJ-QFIPXVFZSA-N 429.358 6.106 30 10 IKEE COc1ccc([C@@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)cc1Br 698823106 FCAJYEZVUNUUSQ-MRXNPFEDSA-N 437.359 5.521 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@H](C#N)c1cccc(Cl)c1Br 719727615 ZIVNDTNOFNWCPK-MRXNPFEDSA-N 427.770 6.237 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 724029687 RMRZPFJAAKZDFS-GAJHUEQPSA-N 433.524 5.297 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2)S/C(=N\N=C/c2ccccc2F)N1Cc1ccco1 1554646502 PFHMQTSZFBNIPY-JWSWIXEOSA-N 439.899 5.579 30 10 IKEE C/C(C=NN=C1S/C(=C/c2ccccc2C)C(=O)N1Cc1ccco1)=C/c1ccccc1 1772759768 YBZVHAPSXKDDKT-MHFHVVKZSA-N 441.556 6.150 30 10 IKEE C=CCOC(=O)c1sc(NC(=O)Sc2ccc(Cl)cc2)c(C(=O)OCC)c1C 1860402647 ZGYUGCRRZCCOFH-UHFFFAOYSA-N 439.942 5.554 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)COc1cccc(C)c1C 1861642193 ZSGYVMCFRZUOSD-QHCPKHFHSA-N 432.649 5.614 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2ccc(F)cc2F)cc1 1862395736 XFEIDKFUCZFXCQ-OYHNWAKOSA-N 427.491 5.684 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C 1862404912 IGYMTDKTDSFGNV-DEOSSOPVSA-N 447.575 5.822 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1cccc(Cl)c1 1862416478 GVYBIJOITZAWNR-FQEVSTJZSA-N 433.882 5.777 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1cccc(Cl)c1)c1ccc(F)cc1F 1862416509 HCRKPYIAPUZXOI-OAQYLSRUSA-N 439.845 5.397 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccccc1C 1862430003 ZVDZYOIIMCOVBH-JPYJTQIMSA-N 439.983 6.586 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1cccc(Cl)c1)c1ccccc1Cl 1862432836 OAEDHODIOJMEDY-IBGZPJMESA-N 444.339 5.833 30 10 IKEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc2ccccc12 1862435247 REHXZWVMQGAXFR-QHCPKHFHSA-N 448.950 5.023 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(Cl)c(Cl)c1 1862468048 YELBJTMUDLTQJL-QGZVFWFLSA-N 444.236 5.397 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862476785 OLRJZBPFHFCVMT-XMMPIXPASA-N 431.532 5.472 30 10 IKEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862479540 JSVYPVMGOJRQDT-HSZRJFAPSA-N 447.531 5.083 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)c1 1862488809 IPVQTKMOJHHRBX-RVSNTGDXSA-N 433.548 5.469 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cc(Cl)c(O)c(OC)c1 1862497116 CBCGVTBLEJWWLW-FQEVSTJZSA-N 443.927 5.049 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2ccc(Cl)cc2)c1 1862558270 VMGQLUPTHMHDTE-QHCPKHFHSA-N 446.934 5.133 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1cccc(Cl)c1 1862618061 OEUXVHBVPHTPLY-QFIPXVFZSA-N 439.983 6.406 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2cccc(C)c2)cc1F 1862638900 MVHJODJQGIDBHC-BXKMTCNYSA-N 445.490 5.482 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccc(C)c1 1862659683 CEMPHXMJDHOSAI-RSXGOPAZSA-N 447.619 7.056 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(F)cc2)cc1 1862661281 CRERHHGVUPYWEG-QHCPKHFHSA-N 430.479 5.123 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCCc2ccccc2)c1 1862674382 MVEHEOLZHZKEDC-RUZDIDTESA-N 443.518 5.735 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC(C)C)c1 1862681431 AAMDJMAGYRIKBI-QFIPXVFZSA-N 425.500 5.239 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1c(F)cccc1Cl)c1ccc2ccccc2c1 1862718634 AXZYEJJVNBQOBL-HSZRJFAPSA-N 449.909 6.153 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(C(C)(C)C)cc1 1862720600 ZISSSKOQHHNLNG-AVRWGWEMSA-N 441.571 6.514 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(N(CCC)CCC)cc2)=C(c2ccc(C)c(C)c2)C1=O 1863260312 KHOJOYMCASBSTE-UHFFFAOYSA-N 431.580 5.308 30 10 IKEE CCCC[C@@H](NC(=O)C[C@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866747665 YFEBLOFFONYLCT-IZZNHLLZSA-N 447.623 6.125 30 10 IKEE N#Cc1cccc(Nc2cc(N3CCC[C@@H](Oc4ccccc4)C3)nc(-c3ccccc3)n2)c1 1868354811 NXOIRYWFLCXFDW-RUZDIDTESA-N 447.542 5.807 30 10 IKEE C=CCn1cc(OCc2c(C)cccc2C)c(=O)cc1CSCc1nc2ccccc2[nH]1 1870278703 SRSSWFWXZOOTKO-UHFFFAOYSA-N 445.588 5.540 30 10 IKEE CCCCCCCOc1cn(CCN(CC)CC)c(CNc2ccc(F)cc2)cc1=O 1870837627 PNLJEOTWCWYZNA-UHFFFAOYSA-N 431.596 5.291 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc4c3CN([C@H]3CCCC[C@H]3C)CO4)C2=O)c(OC)c1 1871350404 DYMFQPCQRZFFMV-JNHGPDQRSA-N 435.520 5.051 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(N(C)C)cc1)C3=O)CN(Cc1ccccc1F)CO2 1871352418 HZMQJYDPWXUASO-MSXFZWOLSA-N 444.506 5.168 30 10 IKEE CCCCCCCCN1COc2c(cc3c(c2C)O/C(=C\C=C\c2ccccc2)C3=O)C1 1871355782 VFTRGWJEKHRQRD-YQQIJQLDSA-N 431.576 6.680 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc(OC(=O)Cc4ccc(F)cc4)c3C)C2=O)cc1 1871371987 SXQKLXWWGIWKAY-UCQKPKSFSA-N 432.447 5.297 30 10 IKEE Cc1cc(OC(=O)c2ccc(C(F)(F)F)cc2)cc2c1C(=O)/C(=C/c1ccc(F)cc1)O2 1871375898 JFCGNWGFHVYMJG-JAIQZWGSSA-N 442.364 5.988 30 10 IKEE Cc1c(OC(=O)Cc2ccc(Cl)c(Cl)c2)ccc2c1O/C(=C\c1cccnc1)C2=O 1871376720 FPMAEPJSPLUBSQ-JMIUGGIZSA-N 440.282 5.461 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2C)C1=O 1871383756 ODMHETLYMQZPCT-MTJSOVHGSA-N 449.846 5.700 30 10 IKEE Cc1cc(OC(=O)c2ccc(-n3cccc3)cc2)cc2c1C(=O)/C(=C/c1cccs1)O2 1871383865 GMJMHTXWXJZEPV-JCMHNJIXSA-N 427.481 5.683 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4cccc(OC(C)C)c4)c3C)C2=O)cc1 1871388265 MDNOANMUWFBOLV-OYKKKHCWSA-N 428.484 5.926 30 10 IKEE CCOC(=O)c1ccc(COc2ccc3c(c2C)O/C(=C\c2ccc(CC)cc2)C3=O)o1 1871439231 ONZMZFQLDHYIFM-UCQKPKSFSA-N 432.472 5.522 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4nc5ccccc5s4)c3C)C2=O)o1 1871441550 QKNXEGVYYARTCH-ODLFYWEKSA-N 446.484 5.140 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(N3CCCC3)cc2)[nH]c(N(C)C)n1 1871678153 BLTPMBUUMYZIFE-UHFFFAOYSA-N 439.652 5.256 30 10 IKEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1cc(C)ccc1C 1871887796 DYNCPHPQXREQBW-HSZRJFAPSA-N 442.625 5.150 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(Cl)cc1 1872612838 HPUXXEZADDXKGV-NRFANRHFSA-N 445.069 5.290 30 10 IKEE COc1cccc(OC)c1C(=O)[C@@H](C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872759756 YWDQTGSZVUSCHU-HXUWFJFHSA-N 440.524 5.984 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3c(Cl)ccc(Cl)c3OC)n2)cc1 1872764707 VVSJQEBXOJXNAI-CYBMUJFWSA-N 433.316 5.624 30 10 IKEE N#C[C@@H](C(=O)Cc1ccc(F)cc1F)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872779363 IGQYNDZCRXBJOY-NRFANRHFSA-N 446.478 6.300 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)C23CC4CC(CC(C4)C2)C3)n1 1872784937 ANXYZOGYGVXWIP-LBEMBMLNSA-N 432.633 6.809 30 10 IKEE Cc1cc(C)c(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccccc3C(C)C)n2)c(C)c1 1872786980 YDMVIHAQIQAYGU-CTNGQTDRSA-N 432.589 6.503 30 10 IKEE CCCCCCN(CCCC)CC(=O)[C@H](C#N)c1nc(-c2ccc(F)cc2)c(C)s1 1872799007 CBPYFAIWAXORDI-NRFANRHFSA-N 429.605 6.116 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 1872880560 XTTSYHHCQHIQMO-UHFFFAOYSA-N 448.695 7.012 30 10 IKEE Cc1nc(SCc2ccc(C(=O)NCCCc3ccccc3)cc2)c(C#N)c(C)c1C 1872895265 KYMCGGBVJWRCOP-UHFFFAOYSA-N 429.589 5.533 30 10 IKEE CCCCCCCCNC1=C(c2ccc(C)cc2)C(=O)N([C@H](CC)CCCCC)C1=O 1873143501 PSEHXLBJKJNQND-HSZRJFAPSA-N 426.645 6.384 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2[C@@H](C)CC)=C(c2ccccc2)C1=O 1873414163 VWSUZELNFGPZEG-NRFANRHFSA-N 432.608 6.753 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(F)cc2)cc2c(NCc3ccccc3Cl)ncnc21 1873605741 QCOPVPNDCOXRMU-UHFFFAOYSA-N 435.890 5.274 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(CC)cc1)n2CC 1873628957 CHSINUUHLRJAOO-UHFFFAOYSA-N 449.643 6.819 30 10 IKEE CCOc1cc(/C=N/Nc2ccc3c(=N)[nH][nH]c3c2)ccc1OCc1ccccc1Cl 1873792812 NKRPOGVOANNFTF-LGJNPRDNSA-N 435.915 5.053 30 10 IKEE CCCCCCCCCCNC(=O)c1nc(-n2cccc2)sc1-c1ccc(Cl)cc1 1873936620 KVRAHPRJFRGCTM-UHFFFAOYSA-N 444.044 7.125 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3cccc(OCC(C)C)c3)c(=O)oc2c1C 1873955853 SBQPRCATCJZCBH-UHFFFAOYSA-N 449.547 5.581 30 10 IKEE CCCSc1nnc(COc2ccccc2OCC)n1/N=C/c1c[nH]c2ccccc12 1874243270 WMEBBGNNKRPZPG-MFKUBSTISA-N 435.553 5.121 30 10 IKEE C=CCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1cccc(OCC)c1 1874255859 IDGNOASXUOPRPS-MFKUBSTISA-N 436.581 5.341 30 10 IKEE CCCc1ccc(OCc2nnc(SCC)n2/N=C/c2ccc(C(F)(F)F)cc2)cc1 1874257488 CVJNXPQSTWFAFQ-VULFUBBASA-N 448.514 5.823 30 10 IKEE CCCCOc1ccc(/C=N/n2c(COc3ccc(Cl)cc3)nnc2SC)cc1 1874262725 NLPISYBKXZVFLL-OEAKJJBVSA-N 430.961 5.294 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2Cl)n1/N=C/c1cccc(OC)c1 1874278838 FYRSJBYGQQSVLM-ZVHZXABRSA-N 426.973 5.276 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccc(Cl)cc3)n2/N=C/c2cccnc2)c1 1874281927 ICADUAOBZYFCPN-JVWAILMASA-N 447.995 5.595 30 10 IKEE CCCCC1CCC(c2nnc(SCCc3ccccc3)n2/N=C/c2ccc[nH]2)CC1 1874287532 JVDNLMDZXNLHGT-ZXVVBBHZSA-N 435.641 6.287 30 10 IKEE Fc1cccc(/C=N/n2c(SCc3cccc(F)c3)nnc2-c2ccccc2Cl)c1 1874366693 PFLJHWAQVSQICI-LGJNPRDNSA-N 440.906 6.051 30 10 IKEE C=CCSc1nnc(Cc2ccccc2F)n1/N=C/c1cc(Br)ccc1F 1874376164 IKDVJWRJRMWFRN-FSJBWODESA-N 449.324 5.070 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2Cl)n1/N=C/c1cccnc1 1874395783 VSBHJRGIMIUHNC-CIRUFVMISA-N 433.968 5.653 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCCCO)n1/N=C/c1ccc(Cl)c(Cl)c1 1874401447 NTOQRZVOJSXSRC-WQEJZQBCSA-N 435.380 5.093 30 10 IKEE CCCCCCOc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SC)cc1OC 1874414697 FYHMILPAERPRPG-XIEYBQDHSA-N 438.597 5.441 30 10 IKEE CCc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccc(Cl)cc2)cc1 1874440699 OTLGZMOZHZJFKX-MFKUBSTISA-N 427.017 6.257 30 10 IKEE CC(C)(C)Cc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1cccc(F)c1 1874441178 LSFJSMKQYMNNCJ-BRJLIKDPSA-N 434.943 5.973 30 10 IKEE CCSc1nnc([C@H]2CCCO2)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874444873 MTPRBHGABSZEBQ-LSCMLXDISA-N 442.972 5.356 30 10 IKEE COC(=O)c1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2C2CCCC2)cc1 1874452008 YTKDBEICMLREHQ-MFKUBSTISA-N 434.565 5.205 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCCC)nnc2C(F)(F)F)cc1OCC 1874462082 LFCGAYDRYKOVCH-YDZHTSKRSA-N 430.496 5.259 30 10 IKEE COc1cc(/C=N/n2c(SCc3ccccc3C)nnc2C(C)(C)C)cc(Cl)c1O 1874483109 FCNNMBUQYQJHDV-WYMPLXKRSA-N 444.988 5.426 30 10 IKEE CC(C)(C)c1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(C(=O)O)cc1 1874486612 BLADWLMTCZWGLC-BHGWPJFGSA-N 446.935 5.241 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2ccccc2Cl)nnc1C1CCC1 1874496183 YWVHBSFFNIHMCL-MFKUBSTISA-N 438.984 5.938 30 10 IKEE COC(=O)c1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CCC2)cc1 1874496998 OXTCIXWCOYPTMV-ZMOGYAJESA-N 440.956 5.160 30 10 IKEE CC(C)(C)Cc1nnc(S)n1/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 1874560207 LZIYDVLPBPUKBQ-JFLMPSFJSA-N 448.567 5.909 30 10 IKEE O=C(/C=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)CCCC2 1874572090 VRCAKYZIKROLDV-WYMLVPIESA-N 437.366 7.347 30 10 IKEE O=C(COc1ccccc1/C=C/C(=O)c1ccc(Cl)cc1Cl)NCc1ccco1 1874573491 QMAYRYDGZHXRSE-JXMROGBWSA-N 430.287 5.178 30 10 IKEE Cc1cc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)ccc1F 1874581312 HMUGBYQDQMXNIO-BJMVGYQFSA-N 425.843 6.171 30 10 IKEE C=CCOc1c(OC)ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1Br 1874593558 PRCMQGXOMORBDL-XBXARRHUSA-N 442.136 6.225 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OCC(=O)Nc1cccc(C)c1C 1874596118 GZOBHXUMEKGEGS-JLHYYAGUSA-N 443.543 5.842 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)NC3CCCCC3)c2)c2ccccc12 1874601059 QZBQAAFWDALPHG-JQIJEIRASA-N 443.543 5.572 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1Cl)NCc1ccccc1 1874613065 APWDRZWBSGYJOH-WUXMJOGZSA-N 440.326 5.585 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])o1 1874616210 NYXWBMLSSRXLAK-IZZDOVSWSA-N 435.432 5.148 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc(Cl)c2)c(Cl)c1)c1cccc2ccccc12 1874623652 OKNYDYBKYYBZLZ-ACCUITESSA-N 433.334 7.622 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)ccc1OCc1cc(C)ccc1C 1874623805 WEVVTZGVDCHRRV-DHZHZOJOSA-N 434.507 6.325 30 10 IKEE C=C(C)COc1c(Cl)cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc1OCC 1874624488 GHPZKNIMQYBJSI-PKNBQFBNSA-N 442.983 6.896 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OCC(=O)Nc1ccc(F)cc1 1874625345 YTJDFNSMLMAHNP-LNKIKWGQSA-N 447.506 5.871 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 1874629567 JPLNSPATYQEKOX-FMIVXFBMSA-N 441.354 7.094 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cccc(OC(=O)c2ccc(-c3ccccc3)cc2)c1 1874698674 IWSBHMZLXFMOTK-XMHGGMMESA-N 434.491 6.478 30 10 IKEE O=C(Cc1ccccc1Cl)Oc1cccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1 1874702901 PBJJREDUJUVQLN-DHZHZOJOSA-N 445.729 6.691 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OC(=O)COc1cc(F)ccc1F 1874702940 RFTMBZDMBRKDPK-VZUCSPMQSA-N 438.426 5.162 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OC(=O)c1c(F)cccc1Cl 1874704141 YHQPJJHVJKUVTA-UXBLZVDNSA-N 442.845 6.051 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cc(Br)c(O)c(Br)c2)cc1C 1874719310 CHHLCSXHWHSDOA-SNAWJCMRSA-N 440.131 5.439 30 10 IKEE C=CCN(CC=C)CCC(=O)c1ccc(OC(=O)CCCOc2ccc(CC)cc2)cc1 1874742679 WKSSYUKJRQEPOK-UHFFFAOYSA-N 435.564 5.260 30 10 IKEE O=C(COc1ccc(Cl)cc1)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1 1875120547 YDVZFKKGIWXKPV-KGVSQERTSA-N 428.818 5.499 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Br)c1OC(=O)C(C)(C)C 1875133656 FUEFDPHKCLGZES-CSKARUKUSA-N 445.353 5.922 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(OC)ccc2OC)cc1Br 1875144283 AMTROGJLWRATOZ-JXMROGBWSA-N 447.325 5.458 30 10 IKEE C[C@H](C(=O)Oc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1Cl)c1ccccc1 1875148286 KRPWENZXXLFYSG-XLCPLWEUSA-N 446.974 7.243 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)[C@H](C)c1ccccc1 1875150415 MHHCXMOXZXQBMV-FVECTHPASA-N 442.555 6.598 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1sccc1C 1875164128 ULKMNJSMNVNVKZ-XBXARRHUSA-N 428.456 5.849 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccnc3)c(Br)c2)cc1C 1875175183 CLJBSRCBTPBELA-RMKNXTFCSA-N 436.305 5.576 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc(Cl)c1OC(=O)C1CC1 1875185278 PNGLARHYBHQEKM-XYOKQWHBSA-N 440.967 6.556 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)CCCSC 1875190189 INFDOPZWWNUHFM-WEVVVXLNSA-N 439.360 5.947 30 10 IKEE CCCC[C@@](C#N)(CC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875634751 SSLGELLZCDONQY-URLMMPGGSA-N 443.587 6.988 30 10 IKEE CCC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(C)cc1 1945773629 PKQKKCGJYSVVSA-UYAOXDASSA-N 431.577 5.570 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)CC12CCC2 1949849466 ATIQWNRMACOIIA-DEOSSOPVSA-N 427.545 5.254 30 10 IKEE C=CCC[C@@H](C)SCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1955233564 AFOVANOCJJRWGD-HXOBKFHXSA-N 439.577 5.456 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H]1CN(C(=O)OC(C)(C)C)C2(CCCC2)C1 2003112959 ZHMOVXRVSDTJBL-GOTSBHOMSA-N 428.617 5.307 30 10 IKEE O=C(C=Cc1ccc(OS(=O)(=O)c2cc(Cl)ccc2Cl)cc1)c1ccccc1 2040751183 XXGSRDUICMHAEF-UHFFFAOYSA-N 433.312 5.657 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(C)sc(C)c1Br 2041207069 UFMDJPOOMNQEKJ-YOEHRIQHSA-N 429.424 5.085 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@]2(C)CCCN2C(=O)OC(C)(C)C)c1 2076987105 SDTPISOJQYWJIR-YADARESESA-N 445.560 5.118 30 10 IKEE CC(C)c1nn([C@@H](c2ccc(C(F)(F)F)c(F)c2)C2(C)CC2)c(Br)c1C#N 2079971591 IZRRQYLLHQFHTJ-INIZCTEOSA-N 444.270 6.188 30 10 IKEE CCOc1ccc([C@H](C2CCC2)n2nc(C(F)(F)F)c(C=NO)c2Br)cc1 2080114588 VZOSUTQUQRDFHN-HNNXBMFYSA-N 446.267 5.261 30 10 IKEE C=CCC1([C@H](NCC)c2cc(Cl)cc(Br)c2)CN(C(=O)OC(C)(C)C)C1 2136666177 GMBUEFDYUUURCT-QGZVFWFLSA-N 443.813 5.566 30 10 IKEE CCCC#CC[C@H](NC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2138993132 GLDIZJKNWLRGNL-WNJJXGMVSA-N 443.587 5.660 30 10 IKEE CC(C)(C)OC(=O)N1Cc2sc(Nc3ccc(Br)cc3C#N)nc2C1(C)C 2162322930 DXYXXKPABUTFQA-UHFFFAOYSA-N 449.374 5.507 30 10 IKEE CCN(Cc1ccc(Nc2ccc(Br)cc2C#N)cc1)C(=O)OC(C)(C)C 2169058510 PVZDRPKFSNIOJR-UHFFFAOYSA-N 430.346 5.821 30 10 IKEE CC(C)N(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(Br)cc1C#N 2174812152 HPXKEPQBSBTNLA-INIZCTEOSA-N 436.394 5.183 30 10 IKEE CC(C)(C)[C@H]1CC=C(C(=O)c2cc(Br)ccc2I)CC1 2181637656 HYWSWSDHSYSTBY-LBPRGKRZSA-N 447.154 6.009 30 10 IKEE C#CC[C@@H](C[C@@H](NCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C)C1CC1 2196849777 RKMLWDJKGJWSIY-QFBILLFUSA-N 435.406 5.886 30 10 IKEE CCCCCCCC[C@H](C(N)=O)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2207471501 XJHYJRJLQQAUAI-GOSISDBHSA-N 441.410 5.795 30 10 IKEE CC(C)(C)OC(=O)N(C1CCC1)[C@H](C#N)c1cc(C(F)(F)F)ccc1Br 2228087571 CQKHGXSIMBHVOR-OAHLLOKOSA-N 433.268 5.822 30 10 IKEE CC(C)(C)OC(=O)N[C@@](C)(C(=O)C#Cc1ccccc1Br)C1CCCCC1 2235715700 BWJXZKYMVAHMAC-JOCHJYFZSA-N 434.374 5.233 30 10 IKEE C=CCCC1([C@H](NCC)c2scc(Br)c2C)CN(C(=O)OC(C)(C)C)C1 2266310972 VMQXRXQZOJWXBW-QGZVFWFLSA-N 443.451 5.673 30 10 IKEE CCC#CC[C@H](OCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2275030319 MNAWLWFHPBIEND-VWLOTQADSA-N 444.527 5.790 30 10 IKEE N[C@@H](C#Cc1cccc(Br)c1)c1cccc(Br)c1Br 2278735720 RXRYMPBQTHXXQF-AWEZNQCLSA-N 443.964 5.026 30 10 IKEE C=CCCC1([C@@H](NCCC)c2ccccc2Br)CN(C(=O)OC(C)(C)C)C1 2281055732 KHQZXXRQBMBXEN-IBGZPJMESA-N 437.422 5.693 30 10 IKEE C[C@@]12CC[C@@]3(C)[C@]4(C)CC(=Cc5cccnc5)C(=O)[C@]4(C)CC[C@]3(C)[C@@]1(C)CC[C@H](O)C2 2294712158 KJQCPCBMQUPVPN-FUHNCEPQSA-N 435.652 6.608 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc3C2=O)cc1 2314437809 XCUCDPNZDIWBIC-UHFFFAOYSA-N 432.903 6.473 30 10 IKEE Sc1nnc(-c2cccs2)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2321908126 YTSSGUCSBFAXAT-UHFFFAOYSA-N 426.954 5.410 30 10 IKEE COc1cccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccc(C)cc2)C4)c1 2321958667 AKFZRGHKWPRYLU-UHFFFAOYSA-N 427.500 5.280 30 10 IKEE COc1c(Br)cc(Br)cc1C=CC(=O)c1cccc([N+](=O)[O-])c1 2322308347 BJJSAPBWWVXWDF-UHFFFAOYSA-N 441.075 5.025 30 10 IKEE Cc1ccccc1C=C1Oc2c(cc3c(c2C)OCN(Cc2nc4ccccc4[nH]2)C3)C1=O 2322415858 AKVMGCYETNYVCB-UHFFFAOYSA-N 437.499 5.148 30 10 IKEE Cc1cc(OC(=O)c2ccc(F)cc2)cc2c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O2 2322781912 YROWDJKIAGSGGW-UHFFFAOYSA-N 443.257 6.276 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2c(OCCCO)ccc3ccccc23)cc1Cl 2322884125 DYCXLDOZEDMKTI-UHFFFAOYSA-N 426.896 5.168 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OC)c1OCc1ccccc1Cl 2323026612 GDXZGNZKIDJRRX-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1OCc1cccc(F)c1 2323149456 ZFACRZXZGXMNRO-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OC(=O)c4cccc([N+](=O)[O-])c4C)c3C)C2=O)cc1 2323270442 DPGUSNAPIBAPKW-UHFFFAOYSA-N 443.455 5.609 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(CC)cc2)cc(OC)c1OCc1ccccc1Cl 2323482796 LLNNNLJAYSDXBY-UHFFFAOYSA-N 446.974 7.115 30 10 IKEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(Cl)cc3Cl)cc2)o1 2323511677 DMUPGEOJBLZCAB-UHFFFAOYSA-N 431.271 5.848 30 10 IKEE CCc1nc(NN=Cc2cc(Cl)c(OCC(C)C)c(Cl)c2)sc1C(=O)OC 2323865458 DKSWNYMQDGERAG-UHFFFAOYSA-N 430.357 5.280 30 10 IKEE CCN(CCc1ccncc1)Cc1c(O)cc(C)c2c1OC(=Cc1cccc(C)c1)C2=O 2324091072 XJNGNUHRMRFUCY-UHFFFAOYSA-N 428.532 5.085 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc3ccccc23)cc(OC)c1OCc1ccccc1C 2324141491 QVFXDYVRXUUFED-UHFFFAOYSA-N 448.562 7.360 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(OC)c1OCCc1ccccc1 2324172537 IKNHKXDHDBIWQM-UHFFFAOYSA-N 440.583 7.065 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)cc(Cl)c1OCCCO 2324319156 IVUKRBSMXQMBSB-UHFFFAOYSA-N 445.726 5.321 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OCc3c(F)cccc3Cl)c(Cl)c2)c(C)c1 2324545779 HMKXWFKKVIXUJY-UHFFFAOYSA-N 443.345 7.533 30 10 IKEE Cc1c(OCCCOc2ccc(Cl)cc2)ccc2c1OC(=Cc1cccs1)C2=O 2324561031 DBFTZXFCJDVRRY-UHFFFAOYSA-N 426.921 6.174 30 10 IKEE CCOc1c(Br)cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1OC 2324584849 DIRCXQCWNWSARB-UHFFFAOYSA-N 431.370 6.358 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2OC)ccc1OCc1cccc(F)c1 2324706389 BOYGSZUDYXYHHX-UHFFFAOYSA-N 440.898 6.362 30 10 IKEE CCc1ccc(NC(=O)[C@@H](CC)Oc2ccc3c(c2)OC(=Cc2ccccc2F)C3=O)cc1 2324816739 TWYFRXUXSRLWCA-HSZRJFAPSA-N 445.490 5.800 30 10 IKEE CC(=O)c1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2cccs2)C3=O)cc1 2325427035 FSUHVSYMUPZWIA-INIZCTEOSA-N 447.512 5.281 30 10 IKEE Cc1cccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2F)C3=O)c1C 2325737990 CUQMKYFRADEELE-UHFFFAOYSA-N 431.463 5.385 30 10 IKEE O=C(Oc1cccc(C=CC(=O)c2cc(Cl)ccc2Cl)c1)c1ccc([N+](=O)[O-])cc1 2325773745 KDCQKXKTCIOFSL-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE CCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccc(C(C)C)cc1 2326010045 HURKZGMACIRNFQ-UHFFFAOYSA-N 443.016 6.061 30 10 IKEE Cc1ccc(CSc2nncn2N=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 2326287165 RRYRMGJZWPCILL-UHFFFAOYSA-N 436.625 6.062 30 10 IKEE C(=Nn1c(CC23CC4CC(CC(C4)C2)C3)nnc1SCc1ccccc1)c1ccccn1 2326911278 XETXSXJSJIDOPN-UHFFFAOYSA-N 443.620 5.607 30 10 IKEE COc1cc(C=Nn2c(CCc3ccccc3Cl)nnc2SC)ccc1OC(C)C 2327913579 CZMUAHVEAOOCBP-UHFFFAOYSA-N 444.988 5.117 30 10 IKEE Cc1ccc(C=Nn2c(COCc3ccccc3)nnc2SCc2cccc(C)c2)cc1 2329317600 VCHNBWJDQSHENL-UHFFFAOYSA-N 442.588 5.786 30 10 IKEE Cc1cccc(C=Nn2c(Cc3ccc(C)c(C)c3)nnc2SCc2cccc(C)c2)c1 2329403796 LURQSASAZVDJKA-UHFFFAOYSA-N 440.616 6.277 30 10 IKEE Oc1ccccc1C=Nn1c(CCc2cccs2)nnc1SCc1ccc(F)cc1 2329636481 QQLVAVYZSZAYDY-UHFFFAOYSA-N 438.553 5.144 30 10 IKEE Clc1ccc(CSc2nnc(CCc3cccs3)n2N=Cc2ccccn2)cc1 2329685182 CWUYMGKFRREYDN-UHFFFAOYSA-N 439.997 5.348 30 10 IKEE Clc1cccc(CSc2nnc(CCc3cccs3)n2N=Cc2cccnc2)c1 2329687292 HLALDLUVXKBRRW-UHFFFAOYSA-N 439.997 5.348 30 10 IKEE Cc1ccccc1C=Nn1c(COc2ccccc2)nnc1SCc1ccc(Cl)cc1 2329921235 ITGWJOITHOCMOE-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCc3ccccc3)nnc2[C@H](C)c2ccccc2)cc1 2330109194 NEEIWQNJXQPYLE-OAQYLSRUSA-N 440.616 6.728 30 10 IKEE Cn1cccc1C=Nn1c(CCc2ccccc2)nnc1SCc1ccccc1Cl 2330197051 AKSAHXALCOGGCF-UHFFFAOYSA-N 435.984 5.230 30 10 IKEE Cc1ccccc1NC(=O)CSc1nnc(CC2CCCCC2)n1N=Cc1ccccc1 2330246672 ZUNXFLMSIBPMBV-UHFFFAOYSA-N 447.608 5.322 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(Cc2cccs2)n1N=Cc1ccccc1 2330448966 PDQGAXPCZDMOAF-UHFFFAOYSA-N 442.972 5.897 30 10 IKEE Cc1ccccc1C=Nn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccccc1 2330627572 RLZMSRLLTXCEAS-UHFFFAOYSA-N 445.523 5.006 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(OC)c1OC(=O)c1ccccc1 2330674835 SEIZUOYACWBUAV-UHFFFAOYSA-N 448.518 6.692 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1 2330678408 CGLPKHDHJANOKK-UHFFFAOYSA-N 446.930 6.343 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3sccc3C)c(OC)c2)cc1 2330736976 LKDOCQHIMNZSOE-UHFFFAOYSA-N 440.948 6.396 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(C)c3)cc2)c1 2330855720 KUFUJZUPABURJA-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE FC(F)(F)c1nnc(SCc2ccccc2Cl)n1N=Cc1cccc2ccccc12 2331141772 AYEOMQIEXDAJNC-UHFFFAOYSA-N 446.885 6.278 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1ccc(C)cc1 2331370148 FCDDYMIZLWRVPX-UHFFFAOYSA-N 430.500 5.826 30 10 IKEE CC(C)(C)c1nnc(SCc2ccccc2)n1N=Cc1cc(Br)ccc1O 2331394758 VMLWENIYGDQYDP-UHFFFAOYSA-N 445.386 5.218 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(C)(C)C)n2N=Cc2cc(Cl)ccc2O)c1 2331396643 YXTOVOCXJZVFNO-UHFFFAOYSA-N 428.989 5.726 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc(F)c2)c(Cl)c1)c1ccc2c(c1)OCCO2 2331398810 NFRPQARDEMSMIO-UHFFFAOYSA-N 438.838 5.366 30 10 IKEE CC(C)COC(=O)CSc1nnc(C(C)(C)C)n1N=Cc1c(Cl)cccc1Cl 2331409064 PVKUBGJQCGZXMP-UHFFFAOYSA-N 443.400 5.056 30 10 IKEE Cc1cccc(CSc2nnc(C3CCC3)n2N=Cc2ccc(Cl)c(Cl)c2)c1 2331498436 QGJJJVCHRUYXAK-UHFFFAOYSA-N 431.392 6.335 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)c1cc2ccccc2n1C 2331541497 UAWJBGBGKWPIFP-UHFFFAOYSA-N 429.447 5.441 30 10 IKEE CC(C)c1nnc(SCc2ccc(F)cc2)n1N=Cc1cc(Br)ccc1O 2331685659 ZIYQZTIMBBJJJD-UHFFFAOYSA-N 449.349 5.183 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)CCCSC 2331864290 INFDOPZWWNUHFM-UHFFFAOYSA-N 439.360 5.947 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cc(Cl)c(OC(=O)CC(C)C)c(OC)c1 2331871063 NBQCWCOXWPZHJL-UHFFFAOYSA-N 437.319 5.858 30 10 IKEE C=CCOc1ccccc1C=C1C(=O)N(c2ccc(Cl)c(Cl)c2)N=C1C(F)(F)F 2332114386 XEYMEDVXNWEEBN-UHFFFAOYSA-N 441.236 5.907 30 10 IKEE CC1(C)COC[C@@]1(C#N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2336106432 RWAOAYCAJZTYQA-XCZPVHLTSA-N 443.543 5.444 30 10 IKEE CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2C#N)[C@@H]1c1cccs1 9433266 ZPNSYCMRUOZQQI-GOTSBHOMSA-N 429.545 5.195 30 10 IKEE O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccc3c(c1)OCO3)Nc1ccc3ccccc3c12 9601023 YDSDGVVXZWVWDR-IIMAJNMQSA-N 445.518 6.636 30 10 IKEE CC(C)(C)C1C/C(=C\c2c(F)cccc2Cl)C(=O)/C(=C/c2c(F)cccc2Cl)C1 20115624 GJPNFLXGGBWMEJ-QUMQEAAQSA-N 435.341 7.764 30 10 IKEE COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccccc1OC 21253513 ZNZRVYAPQWFLFB-SOKVYYICSA-N 426.516 5.683 30 10 IKEE O=C(/C=C/c1ccc(Cl)cc1)c1ccc(OC(=O)c2ccccc2Br)cc1 34955091 YGOQXWXLOHSNPR-VGOFMYFVSA-N 441.708 6.218 30 10 IKEE COc1ccc(-c2cc(/C(C)=N\OCc3ccccc3F)c(C)n2-c2ccccc2F)cc1 35843381 ZPAJBZQUOGJSOE-YKQZZPSBSA-N 446.497 6.680 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\Oc3ccc(Cl)cc3C2=O)cc1F 39842468 RMQYOGDYEVCSDE-FMCGGJTJSA-N 446.865 5.957 30 10 IKEE C=CCc1ccc(OCCCn2c(COc3ccccc3)nc3ccccc32)c(OC)c1 40232250 PVXIIVUTEMCEMN-UHFFFAOYSA-N 428.532 5.822 30 10 IKEE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1/C(=N/Nc1ccc(F)cc1)CCC2 40823869 FLOCHZURZDNKFF-LQKURTRISA-N 446.309 6.439 30 10 IKEE CCn1cc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(C2CCCCC2)C4)c2ccccc21 41650837 YHRFRRYAWUEEFB-QFEZKATASA-N 442.559 6.070 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccccc3Oc3ccccc3)cc21 49507753 FHSOQLKKVWOOPK-UHFFFAOYSA-N 442.515 5.669 30 10 IKEE Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)C[C@@H](C)c1ccccc1 59240613 CMMDOHABDLONOY-ZHRRBRCNSA-N 437.370 7.090 30 10 IKEE CCc1ccccc1/N=C1/S/C(=C/c2ccccc2O)C(=O)N1c1ccccc1CC 96836056 SHSNUAACVIOKOU-RWBSCQHUSA-N 428.557 6.326 30 10 IKEE CCCCCCCOc1cccc(NCCNc2ccccc2OCc2ccccc2)c1 100054588 CLSPHQMUNXEUPK-UHFFFAOYSA-N 432.608 7.139 30 10 IKEE CC(C)(C)C1=CC(/C=C/C2=C[C@H](C(C)(C)C)C(=O)C(C(C)(C)C)=C2)=C[C@H](C(C)(C)C)C1=O 100237974 ZDIDXLNLBLSWQH-NLRNRLRDSA-N 436.680 7.830 30 10 IKEE CC1(C)CC(=O)C([C@H](C2=C(O)CC(C)(C)CC2=O)c2c(Cl)cccc2Cl)C(=O)C1 105680475 OKPGLENCRJUGSZ-OAQYLSRUSA-N 437.363 5.853 30 10 IKEE COc1ccc(Br)cc1/C=N\Nc1nc(-c2ccc(OC)c(OC)c2)cs1 169940135 WOOQFWFTLNXKLO-FBHDLOMBSA-N 448.342 5.044 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2cccc3ccccc23)[C@H]1c1cccnc1 170008511 RJGCZPCBXXUTRH-SANMLTNESA-N 434.495 5.337 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccc(C)cc2)cc1 170029681 XEWVLHKNYBVECF-OAQYLSRUSA-N 448.544 5.250 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1ccc(F)cc1)c1c[nH]c2ccccc12 170063797 XQNYAYXTYCGDLJ-JOCHJYFZSA-N 448.400 5.368 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2ccccc2F)c1 170069058 QEKWOWLDGXXYJR-QHCPKHFHSA-N 447.462 5.016 30 10 IKEE CC(C)Oc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccco2)cc1 170094969 IBZLSGYFZULRAW-NRFANRHFSA-N 437.879 5.503 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(O)cc2)cc1 170132780 DZKJGLPSGHRSID-DEOSSOPVSA-N 443.499 5.210 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1cccc(C)c1 170140247 HMRVGPVUSMXWDS-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cc4cc(Cl)ccc4o3)=C(O)C(=O)N2C2CCCCC2)c1 170145520 YMPLGTMXFDXHKH-HSZRJFAPSA-N 449.934 6.306 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccccn2)cc1C 170170291 NBPKOKQWRHRYKQ-XMMPIXPASA-N 442.515 5.188 30 10 IKEE Cc1ccc(-c2nc(C3=C(N)N(c4ccc(OCC(C)C)cc4)CC3=O)sc2C)cc1 170179422 ZULNNTWSSHHZKS-UHFFFAOYSA-N 433.577 5.178 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccccc2)cc1 170224433 ZCUBGUHKJIKLKM-NSYGIPOTSA-N 439.511 5.355 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2)cc1C(C)C 170233810 YDPLBBQALYWTLZ-XMMPIXPASA-N 433.548 5.730 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 170237383 OCNMPLUXKCOBSW-LJQANCHMSA-N 427.884 5.319 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(F)cc2)c1 170239465 DCAHCEGUTRDQOE-QHCPKHFHSA-N 431.463 5.396 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccco2)cc1 170282029 CXHQGVNTAJGDPX-NRFANRHFSA-N 439.414 5.130 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@H]1c1ccco1)c1c[nH]c2ccccc12 170287138 WXSKEVHFNVZXPD-DEOSSOPVSA-N 434.451 5.697 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2c2ccccc2)o1 170302894 KWOIMSJUBNVTSK-QHCPKHFHSA-N 429.516 5.977 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccc(C)o2)cc1C 170304932 MZZGGXRWGJAHGH-HSZRJFAPSA-N 431.488 5.305 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1c1ccc(OC(C)C)cc1 170335311 VIGSFIKAAGEJKS-QFIPXVFZSA-N 449.528 5.327 30 10 IKEE N#Cc1c(NC(=O)CCOc2ccc(Cl)cc2)oc(-c2ccccc2)c1-c1ccccc1 170494064 APVIGMNZZUFLIG-UHFFFAOYSA-N 442.902 6.546 30 10 IKEE N#Cc1c(NC(=O)CCC(=O)c2cccs2)oc(-c2ccccc2)c1-c1ccccc1 170494094 WOJCIQVQVAUXKF-UHFFFAOYSA-N 426.497 6.148 30 10 IKEE O=C(/C=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1cccc(N2CCOC2=O)c1 214908057 MVSIPSNXSMIJHA-YVMONPNESA-N 438.823 5.361 30 10 IKEE O=C1/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC(=Nc2ccccc2)N1c1ccccc1 252596074 CGSSCFISYSKLIY-KAWQFOENSA-N 435.892 6.057 30 10 IKEE COc1ccc(C=Nc2ccc(-c3nc4ccc(C)cc4o3)c(O)c2)cc1Br 252625940 QSKVIGSLLCJWQV-UHFFFAOYSA-N 437.293 6.031 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cn(C)c3ccccc23)c1 526518432 XZUGVIBFNYFFRE-RUZDIDTESA-N 435.483 5.116 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3ccc(Cl)c(Cl)c3)[C@@H]2c2cccc(O)c2)c1 526520484 GOBZOZSEKMEQOK-NRFANRHFSA-N 437.282 5.628 30 10 IKEE Cc1ccc(SC2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cc(F)ccc3F)C2=O)cc1 526663324 SVMJDNIMBFWISV-UHFFFAOYSA-N 447.466 5.134 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1ccc(Cl)c([N+](=O)[O-])c1 526802862 OWCGBOIBCVYOPA-FMCGGJTJSA-N 447.923 5.496 30 10 IKEE CCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1ccc(Br)cc1 526825507 XNPNIRODNSUTDP-UUYOSTAYSA-N 433.350 5.307 30 10 IKEE C=CCCN(c1ccc(CC(=O)O)cc1)S(=O)(=O)c1ccc(CCCCCC)cc1 586231369 RKEZFULOVBSWOD-UHFFFAOYSA-N 429.582 5.208 30 10 IKEE COc1ccc(C)cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)c1ccc(Cl)cc1C 586245317 QZUPGMVDRJEIPE-UHFFFAOYSA-N 440.952 5.233 30 10 IKEE C=C(C)CN(c1ccc(OCC)c(OCC)c1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586251016 DOZNCNGUFHORIG-UHFFFAOYSA-N 431.598 5.553 30 10 IKEE C=C(C)CC[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCCC 686830858 JXYOHHVGZSNLHB-DEOSSOPVSA-N 443.676 5.661 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccc(Cl)c(Br)c1 698416564 AUAWNYNPCLZVNK-SFHVURJKSA-N 435.749 6.417 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@@H](C#N)c1ccc(Cl)c(Br)c1 698819785 OJDROWLQMWUPGV-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@](C)(C#N)CCc1ccccc1 710707161 KKRBFZPZJZDQQQ-JOCHJYFZSA-N 429.358 6.106 30 10 IKEE Cc1cc(-c2ccc(/C=C\C(=O)n3cc(C#N)c4ccccc43)o2)ccc1Br 1083899974 GLYQYBGLDOEMPQ-FLIBITNWSA-N 431.289 6.198 30 10 IKEE O=C1NC(=NN=Cc2cccc3ccccc23)S[C@@H]1Cc1cccc(C(F)(F)F)c1 1772724755 HNQFNZYQPSRTPL-LJQANCHMSA-N 427.451 5.023 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=Nc1cccc(C)n1 1772736430 KUWIWTSFVNHNOJ-CXJFQJJYSA-N 435.936 6.093 30 10 IKEE C=CCN(CC=C)C(=O)Oc1cccc2c(NC(=O)Cc3ccccc3[N+](=O)[O-])cccc12 1858951761 QCLIIUAZOYEGSW-UHFFFAOYSA-N 445.475 5.102 30 10 IKEE CCCCCCCCCCn1ccc(=O)c(OCc2ccc(C(=O)OCCC)cc2)c1 1860775011 ZYRUCRQNSLAXPJ-UHFFFAOYSA-N 427.585 6.135 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccc(F)cc2)cc1C 1862401613 FTLVDNCQUNDKSH-XDHUDOTRSA-N 445.490 5.482 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1CCOc1ccccc1 1862442725 KPPKGFWKOZGFGV-HSZRJFAPSA-N 447.918 5.306 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(C(C)C)cc1 1862463673 JOZWTSRRLFWIMX-OAQYLSRUSA-N 431.454 5.606 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1cccc(Cl)c1 1862470136 GLJCMXBHLSCLTR-KRWDZBQOSA-N 434.717 5.091 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C(C)C)cc1OC 1862483589 FPORSNBBNOBGSD-QHCPKHFHSA-N 437.536 5.169 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2cccc(F)c2)c1 1862489238 SQOJASNIDJEFEA-MHECFPHRSA-N 429.491 5.782 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2Cl)ccc1F 1862502718 HPULJRZYYVNZIQ-FQEVSTJZSA-N 425.843 5.159 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@H]1c1ccc(C)cc1 1862514192 FTXTZDKSIKVAOV-XMMPIXPASA-N 435.564 5.942 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@H]2c2cc(Cl)cc(Cl)c2)cc1 1862521846 RPXDSNJKWBBZDU-IBGZPJMESA-N 434.319 5.380 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(F)cc1 1862530057 MTLPVXHIQFXVEZ-ISKFKSNPSA-N 437.555 6.325 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(O)c(OC)c2)cc1 1862530939 BFBNIUQKJMZTAD-XMMPIXPASA-N 449.547 5.264 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccccc1C 1862544964 OXUVCXYPJJNGND-RUZDIDTESA-N 431.576 6.032 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccccc1 1862614401 CGFFPGFGLVLMPR-KBMIEXCESA-N 439.555 6.324 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2cccc(C)c2)cc1F 1862639022 OZXQWTLMOLZZRV-DEOSSOPVSA-N 445.490 5.230 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1c(F)cccc1Cl 1862651709 BAPUSXUAJHTFDT-QFIPXVFZSA-N 437.898 5.867 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc(Cl)c1 1862654454 YDIRFNQSVCSLGU-DEOSSOPVSA-N 447.962 6.652 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCC(C)C)cc1 1862665404 GFEBTVVIGACKHD-DEOSSOPVSA-N 435.564 5.833 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cccc(Br)c1)c1ccc(F)cc1 1862680763 JZBIIFAGIPHLOJ-LJQANCHMSA-N 444.300 5.109 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(F)cc1 1862686957 DJTPQRKQCWMIPE-QHCPKHFHSA-N 439.527 5.773 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 1862725043 ZQYLNZCQOLKYCT-XDHUDOTRSA-N 429.491 5.870 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(Cl)c(Cl)c3)C2=O)cc1 1862910339 IXNURRKEHQAIGT-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C(C)=O)c2)=C(c2ccc(C)c(C)c2)C1=O 1863251651 BDSIGSRQAZWLGO-UHFFFAOYSA-N 446.591 6.059 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(C)c(C)c2)C(=O)N(Cc2ccccn2)C1=O 1863603942 UMFBDAIXFGTTNW-UHFFFAOYSA-N 447.623 5.709 30 10 IKEE C=CCN(CC=C)c1cc(N2CCN(c3cccc(C)c3C)CC2)nc(-c2ccccc2)n1 1867972242 LUXMAWVXPJJRNC-UHFFFAOYSA-N 439.607 5.265 30 10 IKEE CC(C)c1nc(Nc2ccc(C#N)cc2)cc(N2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)n1 1868242747 QRADNDCZZDOOBM-HTAPYJJXSA-N 431.515 5.321 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)c2ccccc2C)n(-c2ccc(Cl)c(Cl)c2)n1 1870003933 OKMKERLWMVPKBK-UHFFFAOYSA-N 442.350 5.313 30 10 IKEE CCCCCCCOc1cn(CCc2ccccc2)c(CSc2ncccn2)cc1=O 1870252433 SMMGSVKUEOBFOZ-UHFFFAOYSA-N 437.609 5.523 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCCCCC)c(=O)cc1CSC(C)C 1870254826 OWWCAVNZFBENAU-UHFFFAOYSA-N 439.662 5.963 30 10 IKEE CCCCCCCCn1cc(OCCO)c(=O)cc1CN(CCCC)CCCCCC 1870367925 BWMMPNZYXHFGRG-UHFFFAOYSA-N 436.681 5.762 30 10 IKEE CCCCCCCCCCn1cc(OCc2ccc(C(C)C)cc2)c(=O)cc1CN(C)C 1870471717 UCFJKJGOHXRBKB-UHFFFAOYSA-N 440.672 6.753 30 10 IKEE CCCCCCCCn1cc(OCc2cccc(C)c2)c(=O)cc1CN(CC)CCCC 1870620776 LKRUTXRWOBRDAU-UHFFFAOYSA-N 440.672 6.718 30 10 IKEE CCCCCCCOc1cn(CCC)c(CNc2ccc(N(CC)CC)cc2C)cc1=O 1870831559 DPGMCFZEUFXQRQ-UHFFFAOYSA-N 441.660 6.374 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(F)cc2)c(CNc2ccccc2C)cc1=O 1870833418 HXFQRTXORVJXHT-UHFFFAOYSA-N 436.571 6.305 30 10 IKEE C=CCn1cc(OCc2c(Cl)cccc2Cl)c(=O)cc1CNc1ccc(C)cc1C 1871049828 UJRKWHUKHSLBJJ-UHFFFAOYSA-N 443.374 6.149 30 10 IKEE CCCCCN1COc2c(cc3c(c2C)O/C(=C\c2ccc(Br)cc2)C3=O)C1 1871352557 PRJWTXVQOOTCST-JAIQZWGSSA-N 442.353 5.716 30 10 IKEE COc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN(Cc2cc(C)ccc2C)C3)C1=O 1871355662 FRWQKNVCDIBLPX-MXAYSNPKSA-N 441.527 5.589 30 10 IKEE CCCCCCCCN1COc2c(cc3c(c2C)O/C(=C\c2sccc2C)C3=O)C1 1871355751 SIJVDPOCNCCGRY-STZFKDTASA-N 425.594 6.494 30 10 IKEE Cc1cc(OC(=O)COc2ccccc2)cc2c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O2 1871364522 PPNPZJVUNJYZIX-OYKKKHCWSA-N 428.484 5.719 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc([N+](=O)[O-])cc4)cc(C)c3C2=O)o1 1871381981 IILOALOCPBPSNZ-IEPMXLQJSA-N 431.400 5.040 30 10 IKEE CCCN(CCC)Cc1c(O)cc(C)c2c1O/C(=C\c1ccc(N(CC)CC)cc1)C2=O 1871394118 FJGWHLXKEPOFPR-ULJHMMPZSA-N 436.596 5.785 30 10 IKEE CCc1ccc(OCCCOc2ccc3c(c2C)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871413289 XOCSMDZIZPXKOB-ITYLOYPMSA-N 428.528 6.330 30 10 IKEE CCOc1ccccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 1871418034 JKPJPVBXHGHNDG-QRVIBDJDSA-N 447.462 5.167 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccco2)C3=O)cc1 1871450623 KUAUZVKJGYCDFN-GEWRUKCFSA-N 431.488 5.735 30 10 IKEE CC(C)c1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O 1871456047 JWGFZVDXXCIGNW-CFRMEGHHSA-N 431.463 5.583 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(N(C)C)cc2)[nH]c(N(CC)CC)n1 1871695726 ZNXUQHLJXMOYJW-UHFFFAOYSA-N 441.668 5.502 30 10 IKEE C=CCN([C@@H](C(=O)Nc1cccc(C)c1)c1ccccc1)S(=O)(=O)c1cc(C)ccc1C 1872254040 LTAVXMRXMSCHJN-RUZDIDTESA-N 448.588 5.169 30 10 IKEE CC(=O)Oc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c1 1872759270 JAYJTVKQHBTOGI-QHCPKHFHSA-N 438.508 5.892 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)c(C)c1 1872769615 WPWGYNOCRYOOTL-LJQANCHMSA-N 446.532 5.425 30 10 IKEE COc1ccc(OC)c(-c2csc([C@H](C#N)C(=O)c3ccc(-n4cccc4)cc3)n2)c1 1872770982 JDTBKOCIZKTXPZ-HXUWFJFHSA-N 429.501 5.108 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(Cl)c(Cl)c3)n2)c(C)c1C 1872778790 UKHABEJROOXIJI-MRXNPFEDSA-N 445.371 6.161 30 10 IKEE CCOc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)cc1 1872786172 ZVXAYACCTBDZDH-KRWDZBQOSA-N 426.925 5.290 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)c3ccc(OCC(C)C)cc3)n2)cc1C 1872787800 RKAJPZLKDZWNEO-NRFANRHFSA-N 434.561 5.960 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(NC(C)=O)c3)n2)c2ccccc12 1872788313 GUFRBCPIAVXEOV-OAQYLSRUSA-N 441.512 5.420 30 10 IKEE CSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1cccc2ccccc12 1874201811 VFYYTVOZAFZYKA-JVWAILMASA-N 444.604 6.220 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1ccc(Cl)cc1 1874250325 ZSIAAYOERJBWDW-LFVJCYFKSA-N 428.989 5.636 30 10 IKEE C=CCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(OC)c(OC)c1 1874270532 VUSOJJXEPPMIRM-YZSQISJMSA-N 444.560 5.200 30 10 IKEE C=C(C)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccc(C(C)C)cc1 1874274889 WFLXJZHMJOLLSV-ORBAKXMTSA-N 439.629 5.066 30 10 IKEE CCCCC1CCC(c2nnc(SCC)n2/N=C/c2ccc(N(CC)CC)cc2)CC1 1874285333 VRPIXDMSMNLUIT-LGUFXXKBSA-N 441.689 6.583 30 10 IKEE CCCCC1CCC(c2nnc(SC)n2/N=C/c2cc(OC)c(O)c(OC)c2)CC1 1874286006 KRJRMIZBHPOMHY-OEAKJJBVSA-N 432.590 5.069 30 10 IKEE C=CCSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1cccc2ccccc12 1874331610 VQAUNPBACFKUHI-OVVQPSECSA-N 426.589 5.994 30 10 IKEE Clc1cccc(/C=N/n2c(Cc3cccs3)nnc2SCCc2ccccc2)c1 1874413414 SDRNKSGAPWSNHL-LFVJCYFKSA-N 439.009 5.801 30 10 IKEE Clc1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2cccnc2)cc1Cl 1874424398 JCRIHCALVQDBDS-FOKLQQMPSA-N 446.388 5.883 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CCCC2)cc1 1874457585 WHSXQPAWPFFAQG-MFKUBSTISA-N 441.000 6.162 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc(C(=O)O)cc1 1874479697 MUPWUFCKOQQBNY-YDZHTSKRSA-N 428.945 5.147 30 10 IKEE COc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C(C)(C)C)cc1O 1874486455 SJKQPWNHMNKUSW-BHGWPJFGSA-N 448.951 5.257 30 10 IKEE CCCOc1ccc(/C=N/n2c(CCC)nnc2SCc2c(F)cccc2Cl)cc1 1874509614 LZASKGZWNTUPFQ-AFUMVMLFSA-N 446.979 5.986 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(C)nnc2SCc2c(F)cccc2Cl)cc1 1874535021 NHUPVPXNUFPWNQ-AFUMVMLFSA-N 446.979 6.123 30 10 IKEE CCCCCOc1ccccc1/C=N/n1c(S)nnc1COc1ccc(CCC)cc1 1874566968 XLJGQBAKNADRCR-KOEQRZSOSA-N 438.597 5.550 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c1OCc1ccccc1 1874571747 DOTFIMUZVXRPAV-BUHFOSPRSA-N 432.947 6.703 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(F)cc2)cc1 1874572423 MKAAOVRZAORWSV-NTUHNPAUSA-N 437.898 5.955 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccccc2Cl)c1OCC(=O)Nc1ccccc1F 1874574980 OGAHAYQDQFZHDP-BUHFOSPRSA-N 439.870 5.401 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2cccc3ccccc23)cc1 1874578148 ZBCLPQSZKSTUQT-KNTRCKAVSA-N 438.523 6.722 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1OCc1ccccc1C 1874579241 DDGXKXCJGDJACC-ACCUITESSA-N 427.327 6.786 30 10 IKEE CCCOC(=O)COc1c(/C=C/C(=O)c2cccc3ccccc23)cc(Cl)cc1OC 1874583554 SYOXZSYELNZEBP-VAWYXSNFSA-N 438.907 5.730 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(C(C)C)cc2)c1OCc1ccccc1C 1874583812 HNKGYFYDFHGDGM-BUHFOSPRSA-N 434.963 7.256 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(F)c(F)c2)c1OCc1ccc(Cl)c(Cl)c1 1874584880 GDISNMOBBHNZEK-JXMROGBWSA-N 449.280 6.755 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C)c(C)c2)c1OCC(=O)Nc1cccc(C)c1 1874587951 MTUOGUYLYCHMCT-BUHFOSPRSA-N 429.516 5.534 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OCC(=O)Nc1cccc(C)c1C 1874594387 HRORCLHZYFDVRW-WYMLVPIESA-N 445.515 5.234 30 10 IKEE COC(=O)c1ccc(COc2c(Cl)cc(/C=C/C(=O)c3ccc(C)cc3)cc2OC)o1 1874616096 JJEJBWPHDUWEIZ-UXBLZVDNSA-N 440.879 5.512 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1OCC(=O)OC 1874629198 QNUAAECOUGORJT-CMDGGOBGSA-N 430.928 5.420 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(OC)c1OCc1ccccc1C 1874634318 WEIGGXOWUZYWOA-VAWYXSNFSA-N 430.544 6.413 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1OC(=O)c1cccs1 1874697937 RSIPDMTVMPOOCZ-VQHVLOKHSA-N 443.318 5.635 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)C(c3ccccc3)c3ccccc3)c2)cc1 1874698165 ZDHBJTBNJUMPEE-HMMYKYKNSA-N 448.518 6.329 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OC(=O)CCc1ccccc1C 1874700750 KKQJROGBVAKEAK-VGOFMYFVSA-N 434.919 6.091 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(OC(=O)CC)c(OC)cc2Br)cc1 1874701308 LQJPGKNBWKIARJ-DHZHZOJOSA-N 433.298 5.068 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(F)c(C)c2)CSc2nnc(CCCC)n21 1874893166 MXMISLCEXGFYEL-OAQYLSRUSA-N 446.636 6.130 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccnc3)c(Br)c2)cc1 1875100861 LJMSHMSVPXMTNA-YRNVUSSQSA-N 436.305 5.522 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1cccc(F)c1 1875132013 AHIQQPAIBYGMMM-WEVVVXLNSA-N 445.273 6.256 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Br)c1OC(=O)C1CC1 1875141917 CCRPNDJEARGDLT-FPYGCLRLSA-N 433.273 5.117 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)COc2ccc(C)c(C)c2)cc1 1875143449 ABWJKZVJIIKUOQ-UKTHLTGXSA-N 430.500 5.501 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(OC)ccc2OC)ccc1OC(=O)c1ccccc1 1875146713 BCKSLBFJFWMDHY-JLHYYAGUSA-N 432.472 5.218 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2cccs2)cc1 1875161437 PSLNEZYYXGAGQM-UKTHLTGXSA-N 434.557 6.098 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(C)c3)c([N+](=O)[O-])c2)c(OC)c1 1875176272 FNBQRVVSHHKIQV-YRNVUSSQSA-N 447.443 5.036 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccccc2C)c(Cl)c1 1875183988 CGPOKDRGISYCQI-SDNWHVSQSA-N 446.974 7.370 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1OC 1875185901 UTFRQSVKGAOSJK-DTQAZKPQSA-N 436.592 7.073 30 10 IKEE COC(=O)Cc1cc(N=[N+]=[N-])c(C)c(NC(=O)OCC2c3ccccc3-c3ccccc32)c1 1887521525 XEFORDYHBSTYJP-UHFFFAOYSA-N 442.475 6.013 30 10 IKEE N#Cc1ccc(F)c(C(=O)NCCSc2cn(Cc3ccccc3)c3ccccc23)c1 1892067090 YPJLXCXEYOMUAO-UHFFFAOYSA-N 429.520 5.222 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(CCC[C@]2(C#N)N(C(=O)OC(C)(C)C)c2ccccc2)C1 1918265604 WVJTVLRAODHEMK-LOSJGSFVSA-N 441.572 5.502 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)NCC 1922117295 YTTUOZLIPIVAHL-HUVFLSCGSA-N 430.633 5.411 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@]1(C#N)CCN(Cc2ccccc2)CC1(C)C 1949309073 SSINOYLDRHBQKT-SANMLTNESA-N 425.617 5.751 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1cc(Br)c(Br)o1 1978561846 ZSPKUDSQPQOXLL-QGZVFWFLSA-N 443.179 5.618 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@](C)(CC(F)F)NC(=O)OC(C)(C)C 1982479760 SRSFKDZDHOOOAE-NFBKMPQASA-N 426.548 5.066 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(C(=O)OC(C)(C)C)CC[C@H]2C)cc1 1999945893 UCCUXWDJVBOFJO-HOYKHHGWSA-N 429.561 5.276 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@](C)(NC(=O)OC(C)(C)C)C1CCCC1 2024529691 MYGWBIKLUNJROP-JYFHCDHNSA-N 430.633 5.601 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)cc1 2032001776 XQQNNBYGPJXXTI-RRQZXNHTSA-N 443.588 5.664 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]12CCC[C@@]1(F)CN(C(=O)OC(C)(C)C)C2 2052200486 JKDXVOVLXMXSFK-HDYLNDSGSA-N 446.607 5.257 30 10 IKEE O=C(C=Cc1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1ccccc1OC(F)F 2053511020 ASEVCKUUHATXDL-UHFFFAOYSA-N 429.404 5.034 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1 2070601728 CZOCOUMHOQOGFH-UQBPGWFLSA-N 443.588 5.666 30 10 IKEE CC(C)c1ccc([C@@H](C)n2nc(C(F)(F)F)c(C#N)c2I)cc1 2079978981 JSOLTYVGXFMTFF-SNVBAGLBSA-N 433.215 5.111 30 10 IKEE N#Cc1c(-c2ccccc2)nn(Cc2ccc(Br)cc2F)c1Br 2080353530 UXDKUMJCUMHVJN-UHFFFAOYSA-N 435.094 5.134 30 10 IKEE C=CC[C@@](C)(CNC(=O)OC(C)(C)C)COc1cc(Br)c(Cl)cc1N 2082207408 PEQFVTLANAJBQG-SFHVURJKSA-N 433.774 5.171 30 10 IKEE CCCN[C@](C#N)(C[C@@H](C)CC)CN(CCN(C)Cc1ccccc1)Cc1ccccc1 2086484960 SJTHCATYCDGEGT-LSYYVWMOSA-N 434.672 5.319 30 10 IKEE C=CCN(C[C@@H](Cc1cccc(C)c1Br)NCCC)C(=O)OC(C)(C)C 2087877555 PVHCYTRWLJAXAB-GOSISDBHSA-N 425.411 5.091 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(Br)ccc(Cl)c1F 2102880898 UXQYTPQEESZRFD-WMLDXEAASA-N 447.776 5.199 30 10 IKEE CCN(Cc1ccccc1Nc1ncc(Br)cc1C#N)C(=O)OC(C)(C)C 2162415577 SZEWGUVSAZMJMK-UHFFFAOYSA-N 431.334 5.216 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)Nc1ccc(C#N)cc1F 2181044352 BBEZPYKXYTWCED-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE C=CCCCCCCC[C@@H](NCCC)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2220095919 ARXYJBJSTQWPEI-RPBOFIJWSA-N 446.676 6.381 30 10 IKEE C=C(F)C[C@@H](NCCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229120547 PHVIYAYABWWJPO-MSOLQXFVSA-N 429.374 5.126 30 10 IKEE C=C[C@H](C)Oc1cccc([Sn](CCCC)(CCCC)CCCC)n1 2241721430 IRSQFCJMUAZRGK-USHJOAKVSA-N 438.244 6.091 30 10 IKEE CC(C)(C)OC(=O)NC[C@]1(C)CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2258803482 GKVHHTHONDQLQR-ZEQRLZLVSA-N 447.551 5.544 30 10 IKEE C=C(C)CCCC[C@@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2259232615 DAYHVCHTLOKWBV-SQHAQQRYSA-N 443.676 5.661 30 10 IKEE CCCC#C[C@@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2262317241 YDHWUYRGFLAYPK-AREMUKBSSA-N 429.560 5.665 30 10 IKEE Cc1cc(Oc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)cc(C)c1NC(=O)OC(C)(C)C 2265858397 DOQYTUSEDQMKQB-UHFFFAOYSA-N 440.349 5.137 30 10 IKEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)CC2CCCCC2)c1 2282119134 NWEJQFQLRRFNCO-UHFFFAOYSA-N 447.428 5.517 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1c1ccc(Nc2c(Br)cccc2C#N)cc1 2285182344 ILOZRFJHMZCJCW-WMZOPIPTSA-N 428.330 5.445 30 10 IKEE C=CCCCCCC[C@@H](OCCN)c1cc(Br)c(Br)s1 2294014849 HTOBXWPLUSTMNV-CYBMUJFWSA-N 425.230 5.816 30 10 IKEE CC1(C)OB([C@@H]2C=CC=C[C@]2(C=Cc2ccccc2)B2OC(C)(C)C(C)(C)O2)OC1(C)C 2294276873 JIVNRTMPQKZINX-QFQXNSOFSA-N 434.194 6.121 30 10 IKEE CC(C)(C)OC(=O)N1CCc2sc(C(=O)C#Cc3ccc(Br)cc3)cc2C1 2296226010 AZUZWRWMGZGNIO-UHFFFAOYSA-N 446.366 5.038 30 10 IKEE CCCC[C@H](NC(=O)OC(C)(C)C)[C@@H](C#Cc1ccc(Br)cc1)NCCC 2296310183 GDFGJKIYXRESDI-UXHICEINSA-N 437.422 5.252 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)CCC[C@H](C)NC(=O)OC(C)(C)C 2296310780 NSXQFUIXTIXDGG-PXNSSMCTSA-N 437.422 5.252 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(=Cc1c(Cl)cccc1Cl)C2=O 2296865989 RECKHXSVEFITCK-UHFFFAOYSA-N 425.267 6.137 30 10 IKEE COc1ccc(C=NCC[C@H](c2ccccc2OC)[C@H]2CCOC(C)(C)C2)cc1OC 2297681097 ODWKEQAUZHUXKA-SFTDATJTSA-N 425.569 5.510 30 10 IKEE C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)C(=Cc3ccc(C(F)(F)F)cc3)C[C@H]12 2297733544 UELTYJDTQILMTO-HEUYTCJUSA-N 446.553 6.671 30 10 IKEE CN1C(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=Nc1cccnc1Cl 2314540079 IJYKCKBGVJUJMC-UHFFFAOYSA-N 440.868 5.137 30 10 IKEE Cc1cc(OCc2cccc(Cl)c2)cc2c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O2 2321766667 PGPKGEREMFHXQL-UHFFFAOYSA-N 445.729 7.150 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(ccc4c3CN(Cc3cccs3)CO4)C2=O)cc1 2321968139 FVZFWRCGDNFTRZ-UHFFFAOYSA-N 446.572 5.563 30 10 IKEE Cc1ccc(C)c(CN2COc3cc(C)c4c(c3C2)OC(=CC=Cc2ccccc2)C4=O)c1 2322171020 WVFRHESNENKFGW-UHFFFAOYSA-N 437.539 6.136 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2c(OCCCO)ccc3ccccc23)cc1OCCC 2322502647 AQKFIJMNAXJSHL-UHFFFAOYSA-N 448.559 6.075 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)c3cccc(Br)c3)cc(C)c2C1=O 2322942327 YHHBTMXMIOXHHB-UHFFFAOYSA-N 449.300 5.901 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1OCc1cccc2ccccc12 2323118314 AGSGITOWGHPRFG-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O)c1ccc([N+](=O)[O-])cc1Cl 2323302379 WPAXKHDJMYTHED-UHFFFAOYSA-N 447.830 5.640 30 10 IKEE Cc1cc(OC(=O)c2ccc(C(F)(F)F)cc2)cc2c1C(=O)C(=Cc1cccnc1)O2 2323352174 YIGFFUGTBBQYEQ-UHFFFAOYSA-N 425.362 5.244 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(OC)c(OCc2ccccc2Cl)c(OC)c1 2323700729 ABWGYMPEQRHORX-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 2323908093 WDJBRJHRKUPOFS-UHFFFAOYSA-N 449.934 5.961 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Cl)c1OCc1ccccc1Cl 2323960240 QQSXJCXJWKHECV-UHFFFAOYSA-N 445.317 6.925 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OCC(=O)Nc1c(C)cccc1C 2324197163 KASZPYRHZBZUMA-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE COc1ccc(C=C2Oc3cc(OCCCOc4ccccc4)cc(C)c3C2=O)c(OC)c1 2324234786 SUDDTOPSPBCVAK-UHFFFAOYSA-N 446.499 5.476 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OCc1ccc(Cl)cc1 2324353690 HJALZRKIHOLYJD-UHFFFAOYSA-N 448.990 7.447 30 10 IKEE CCCNC(=O)COc1c(Cl)cc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OCC 2324561301 IRYHCILCJFSDGH-UHFFFAOYSA-N 443.971 5.465 30 10 IKEE Cc1ccccc1COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] 2324662290 QOTPBXWMUXLFBD-UHFFFAOYSA-N 442.298 6.685 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)ccc1OCc1cccc(F)c1 2324672609 DCMKFOYVHZBDNB-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE CCOc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc1OC 2324688377 ZUCWLCLOFXGADQ-INIZCTEOSA-N 440.471 5.385 30 10 IKEE CCOc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc1 2324725850 AZQCVSDRCPJZRM-OAQYLSRUSA-N 432.545 5.724 30 10 IKEE Cc1c(OCc2nc(O)c3ccccc3n2)ccc2c1OC(=Cc1ccccc1Cl)C2=O 2325205715 IOBJELDFDOWSTE-UHFFFAOYSA-N 444.874 5.492 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1cccc(OCC)c1 2325559144 YEWKFWMIWDCORL-UHFFFAOYSA-N 449.407 6.111 30 10 IKEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(Cl)c(Cl)c1 2325631412 IMPKCDONFGTGHB-UHFFFAOYSA-N 446.190 6.375 30 10 IKEE COc1cccc(C(=O)C=Cc2cccc(OC(=O)c3ccc4cc(Cl)ccc4n3)c2)c1 2325707956 KCTDIGFEXKIQQI-UHFFFAOYSA-N 443.886 6.012 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1OC(=O)CSc1ccccc1 2325725528 SEJNXCFCMNJABS-UHFFFAOYSA-N 440.467 5.567 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1Cl 2325729158 DOZWAHSWTJKASS-UHFFFAOYSA-N 445.902 5.838 30 10 IKEE CC(C)c1ccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4F)ccc3C2=O)cc1 2325739061 PPKNVBAHXLAZBF-UHFFFAOYSA-N 431.463 5.583 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2cccc(C=CC(=O)c3ccc(C)c(C)c3)c2)cc1 2325760496 IMNMUYZXPAOBNK-UHFFFAOYSA-N 442.555 6.527 30 10 IKEE C=C(C)CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccccc1O 2326130496 RYVDQEPGWJGXOW-UHFFFAOYSA-N 442.972 5.383 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1ccc(OC)cc1 2326338108 MKQMIUMKVPLZQY-UHFFFAOYSA-N 436.581 5.021 30 10 IKEE CCCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc(N(C)C)cc1 2326619603 VYYJPMMKGHIRQI-UHFFFAOYSA-N 443.620 5.667 30 10 IKEE CCCCOc1ccc(C=Nn2c(COc3ccccc3OCC)nnc2SC)cc1 2326797701 AGFABRKKEUBUCE-UHFFFAOYSA-N 440.569 5.039 30 10 IKEE C=C(C)CSc1nnc(Cc2cccc3ccccc23)n1N=Cc1cccc(OCC)c1 2327745661 CEYPSQDYMDMLBO-UHFFFAOYSA-N 442.588 5.971 30 10 IKEE CCCCC1CCC(c2nnc(SCCCO)n2N=Cc2ccc(N(C)C)cc2)CC1 2328194951 NTCOYCCQXWXTDW-UHFFFAOYSA-N 443.661 5.165 30 10 IKEE COc1ccc(C=Nn2c(COc3ccccc3)nnc2SCCc2ccccc2)cc1 2329919503 WBMJWGUHKWMZKZ-UHFFFAOYSA-N 444.560 5.083 30 10 IKEE Fc1cccc(CSc2nnc(CC3CCCCC3)n2N=Cc2cccc(Cl)c2)c1 2330251420 JABXMYVXSKITFX-UHFFFAOYSA-N 442.991 6.368 30 10 IKEE CSc1nnc(Cc2cccs2)n1N=Cc1ccc(OCc2ccccc2C)cc1 2330310013 KITUGOIBTDACFY-UHFFFAOYSA-N 434.590 5.422 30 10 IKEE CCCSc1nnc(-c2cccs2)n1N=Cc1cc(Br)ccc1F 2330592007 NFWQBBODWCCXLN-UHFFFAOYSA-N 425.352 5.293 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1[N+](=O)[O-] 2330689896 BMOOYNFRLBXFLQ-UHFFFAOYSA-N 441.483 5.897 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc([C@H]2CCCO2)n1N=Cc1ccccc1 2330977235 ZLKBOPOJUWUELR-GOSISDBHSA-N 433.364 5.611 30 10 IKEE Fc1ccc(CSc2nnc(C3CCCC3)n2N=Cc2c(F)cccc2Cl)cc1 2331032918 AVIGFOHKTVHWKD-UHFFFAOYSA-N 432.927 6.042 30 10 IKEE O=[N+]([O-])c1cccc(C=Nn2c(SCc3ccccc3F)nnc2C2CCCC2)c1 2331072070 MRDVEYSUVVFDII-UHFFFAOYSA-N 425.489 5.158 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1Cl 2331222558 XLEWJVIRDMHQEK-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)c1cccc(C)c1 2331324324 JUKUQUNESUMEDD-UHFFFAOYSA-N 448.946 6.779 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OC(=O)c3cc4ccccc4n3C)cc2)c1C 2331644590 PVQJNFCXNQUFDS-UHFFFAOYSA-N 437.539 6.527 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(Cl)cc1Cl 2331707128 LIMSRQAWQZYYMR-UHFFFAOYSA-N 439.799 6.536 30 10 IKEE CC(C)c1nnc(SCc2c(F)cccc2Cl)n1N=Cc1c[nH]c2ccccc12 2331715270 CLJSYWQIGRYRMA-UHFFFAOYSA-N 427.936 5.850 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1[N+](=O)[O-])c1cccs1 2331860821 SUFUUOFMZFTLCB-UHFFFAOYSA-N 448.283 6.078 30 10 IKEE C=CCC(CC=C)[C@@H](NCC)c1cc(I)ccc1Br 2338743123 BWDTZYDKMUXYES-MRXNPFEDSA-N 434.159 5.473 30 10 IKEE CC(C)[C@H](CN(C)Cc1ccccc1)Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339581393 KGLDITZUJRLVSN-TVXVBNPNSA-N 435.421 5.295 30 10 IKEE CC#CCN(C[C@@H](NCCC)c1cc(Cl)c(Cl)c(Cl)c1)C(=O)OC(C)(C)C 2363130318 HQWFHVFGNYCSMK-QGZVFWFLSA-N 433.807 5.948 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(C)s1)N2 14456546 KUJOCSUTWKTUQY-YDHSSHFGSA-N 426.607 5.246 30 10 IKEE C[C@@H]1CC[C@@]2(/N=C/c3ccccc3O)Oc3ccccc3[C@@H](/N=C/c3ccccc3O)[C@@H]2C1 16608746 OWYKDRRRWCDWCE-SBYQQCAOSA-N 440.543 5.902 30 10 IKEE CSC1=N/C(=N\c2ccc(C)cc2)C2(CCC(C(C)(C)C)CC2)N1c1cccc(O)c1 20805789 FBVWSLBUDIOEED-VYIQYICTSA-N 435.637 6.945 30 10 IKEE CCN(CC)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 20884002 ZJDYSMAQHKTQRT-PPHZAIPVSA-N 443.616 6.574 30 10 IKEE CN(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2F)cc1 21259791 WCBYTIXXHXMBHF-XRHLQHRESA-N 427.523 5.871 30 10 IKEE N#Cc1c(C#N)c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1 34743422 WGBZWBSQZLVORR-UHFFFAOYSA-N 432.526 8.098 30 10 IKEE O=C(/C=C\c1ccccc1)Oc1cccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c1 34954134 FDBCHIAXIKDIOM-SXDNLVMGSA-N 430.503 6.869 30 10 IKEE C=CCC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C1CC1 36316187 PAOMXKQFIAJPAW-NRFANRHFSA-N 435.543 5.310 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN([C@@H](C)c3ccccc3)C4)C2=O)cc1 41587370 YABGYVOMNFDDEF-ILRHRSLTSA-N 441.527 5.923 30 10 IKEE O=C1N/C(=N/c2ccc(F)cc2)S/C1=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 96803901 IXXQAWYPQGUEBB-ZDLGFXPLSA-N 443.843 5.539 30 10 IKEE C=CCN(C(=O)CSc1nnc(-c2ccccc2C)n1Cc1ccco1)c1ccccc1 96952643 KHYUVXQQMGFQHY-UHFFFAOYSA-N 444.560 5.206 30 10 IKEE CCCCCCCOc1cccc(NC(=O)CNc2ccc(NC(=O)C(C)C)cc2)c1 100095992 HIOHTQCWAXDCGZ-UHFFFAOYSA-N 425.573 5.681 30 10 IKEE CCOC(=O)C1=C(Nc2cccc3ccccc23)S/C(=C/c2ccc(Cl)cc2)C1=O 100209253 JFSWCVREEATPLY-XSFVSMFZSA-N 435.932 6.037 30 10 IKEE CCCCCCCOc1cccc(NC(=O)COc2ccc(Br)cc2C)c1 100246151 ICUZAZAMKJABJR-UHFFFAOYSA-N 434.374 6.124 30 10 IKEE Cc1c(C(=O)Oc2cccc3cccnc23)oc2c1/C(=N\Nc1ccccc1)CC(C)(C)C2 101109121 MDZMGSGBRCAELJ-COEJQBHMSA-N 439.515 6.144 30 10 IKEE CCCCN1C(=O)/C(=C2\Sc3ccccc3N2CC)S/C1=N\CCc1ccccc1 102150355 VONRVYZOAFQXHY-UNGFZDNBSA-N 437.634 5.762 30 10 IKEE CCCCCCCCCC(=O)N1CCC[C@H]1C(=O)Nc1nnc(-c2ccccc2)s1 102997945 PJGXVAWVRSRVFI-IBGZPJMESA-N 428.602 5.275 30 10 IKEE O=C1/C(=C\Nc2ccccc2Cl)S(=O)(=O)N(Cc2cccc(F)c2)c2ccsc21 105337659 OEJRBTXDUFYFKV-WOJGMQOQSA-N 448.928 5.027 30 10 IKEE FC(F)(F)c1cc(NC(=S)Nc2ccccc2C(F)(F)F)cc(C(F)(F)F)c1 112055045 MSECOXITVLVRJZ-UHFFFAOYSA-N 432.311 6.552 30 10 IKEE CCc1cc(/C(C)=N\OCc2ccc(C3CCCCC3)c(C(F)(F)F)c2)ccc1CO 117348482 XKEXBFZQUALQFX-RHANQZHGSA-N 433.514 6.749 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccc(C)c(C)c2)cc1 169924190 ITOKTZXZTXNPMO-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE CCCCCOc1ccccc1[C@@H]1NC(=S)N(CCC)C(C)=C1C(=O)c1ccccc1 169928727 XCJSHZQAYMMJBY-DEOSSOPVSA-N 436.621 6.054 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cccc(C)c1 169967261 HVDPHKBPWMJAIT-DEOSSOPVSA-N 445.490 5.230 30 10 IKEE CC(C)Oc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2C2CCCC2)cc1 169979282 FXDPZITYIWKTJV-DEOSSOPVSA-N 445.515 5.741 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccs2)c1 169989060 LPZWUAKFHPNWJX-JOCHJYFZSA-N 445.496 5.281 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@@H]1c1ccccc1)c1ccc2c(c1)CCO2 170050602 MBEKXYACRBNEKS-JOCHJYFZSA-N 449.865 5.197 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(Cl)cc2)cc1 170056680 TZPMQQIYNIZSKF-NRFANRHFSA-N 437.948 5.742 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1 170057980 HJHZQKXYUHXZFH-HSZRJFAPSA-N 435.882 5.581 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccccc2F)cc1C 170069979 FBJYMRIEKABBLX-JOCHJYFZSA-N 435.882 5.879 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1c[nH]c2ccccc12 170078476 BVCVADUZRSFNQY-RUZDIDTESA-N 428.532 5.398 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(OC(C)C)cc2)=C(N2CCC(C)CC2)C1=O 170084344 ILYDFJITDQQZSI-UHFFFAOYSA-N 440.628 5.646 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccco1)c1cccc(Cl)c1 170096060 BGZDDKABEGHJLE-JOCHJYFZSA-N 446.890 5.235 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@H]1c1ccc(OC)cc1 170115872 QUPCEJLPYKADFB-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@H]1c1ccc(OC)cc1 170116166 GBSMBQUBJKFQFL-HSZRJFAPSA-N 437.536 5.206 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2cccs2)c(C)c1 170160879 AYDHUUPGNGVDTD-QFIPXVFZSA-N 431.513 5.083 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@@H]1c1cccs1 170164870 NXWRUFSAQDFNDK-NRFANRHFSA-N 427.566 5.649 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccccn2)cc1C 170172102 BYAZXEDGPFHTGI-DEOSSOPVSA-N 442.515 5.269 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccn2)cc1C(C)C 170179224 HETJZHNSRWSPHK-XMMPIXPASA-N 448.563 5.433 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1cccnc1 170191345 FIUWAURZFTVMFS-OAQYLSRUSA-N 448.906 5.143 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(OCCC)cc1 170215374 MOICLCRIFNAGIL-RUZDIDTESA-N 443.543 6.007 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)cc1 170238605 XGQAHFCHSFZJIB-JOCHJYFZSA-N 435.426 5.146 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccc(O)c2)cc1 170259508 SCHWLEMIMYSFDS-QHCPKHFHSA-N 425.440 5.230 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccc2C)cc1 170273155 IBAXDPUWANIXPQ-VWLOTQADSA-N 441.527 5.875 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2ccco2)cc1 170281123 PKYNUOCTRWHRRC-XMMPIXPASA-N 443.499 5.511 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(C)o2)c1 170299580 VZDYDDWSCABPMH-JOCHJYFZSA-N 435.451 5.299 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2cc(F)ccc2F)o1 170306173 IMRQJUINEPRILA-HSZRJFAPSA-N 445.421 5.802 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1CCCC[C@@H]1CN1C(=O)c2ccccc2C1=O 170556464 GYIFMVMPDJRHNQ-RTWAWAEBSA-N 426.601 5.346 30 10 IKEE Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1/C=N/N=C1/C[C@H]2CC[C@@]1(C)C2(C)C 242191316 XENYMGYDDPGISX-XHCCPWGMSA-N 444.554 6.733 30 10 IKEE O=C(Oc1ccc2ccccc2c1C=Nc1cccc2ccccc12)c1cccc([N+](=O)[O-])c1 254420818 WXLWHBQZNDUZKX-UHFFFAOYSA-N 446.462 6.871 30 10 IKEE O=C(Nc1ccc(N=Cc2cc(Cc3ccccc3)cc([N+](=O)[O-])c2O)cc1)c1ccco1 254477879 XRQPTDCGSSTARC-UHFFFAOYSA-N 441.443 5.487 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=S)Nc3cccc(C)c3)cc2)cc1 254513022 WKXCBDIJWXAXPZ-UHFFFAOYSA-N 447.560 5.324 30 10 IKEE Cc1ccc(C)c(N=Cc2ccc(OC(=O)CC(c3ccccc3)c3ccccc3)cc2)c1 254757157 BPUWDPVSUTWIJW-UHFFFAOYSA-N 433.551 7.182 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccc(O)c(OCC)c1 526812758 KKVBEHNWCQZCPD-OYKKKHCWSA-N 444.988 5.553 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccc(OC)cc1 526817883 FANPVFNMGIXMOF-CFRMEGHHSA-N 432.952 5.596 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1ccccc1C(F)(F)F 526825858 MKPKWQQWGWCIQN-ZMFRSBBQSA-N 436.478 5.953 30 10 IKEE Cc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2ccc(OCC(C)C)cc2)cc1C 586211048 LITUCGBASHDIFM-UHFFFAOYSA-N 448.588 5.605 30 10 IKEE N#Cc1cccc(NC(=O)Nc2cccc(C(=O)Nc3ccc(N4CCCCC4)cc3)c2)c1 586729322 HPVBHHJGKKJYKE-UHFFFAOYSA-N 439.519 5.445 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)c(F)c1F 689648756 XYSLSPQNQACQDM-RHSMWYFYSA-N 433.337 5.237 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)C1(C#N)CCN(C(=O)OCc2ccccc2)CC1 698410491 YWUVNIGXOGWUOX-UHFFFAOYSA-N 449.551 5.119 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@](C)(C#N)COc1ccccc1 698457756 RILFDLDLKVANRT-NRFANRHFSA-N 431.330 5.552 30 10 IKEE CC[C@](C#N)(Cc1ccccc1)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 698458426 OVPRYTVLQGKYCJ-JOCHJYFZSA-N 429.358 6.106 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1ccc(F)cc1Br 698486851 RYNOPBZGDXQJAC-QGZVFWFLSA-N 435.293 5.603 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCC1)[C@@H](C#N)c1cccc(I)c1 698816946 RKOZEBRVHBWTGM-INIZCTEOSA-N 426.298 5.036 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H](CNC(=O)OC(C)(C)C)C(C)C)cc1 698892761 SYFCSWHRLTXXCN-WOJBJXKFSA-N 447.576 5.126 30 10 IKEE CCCCCCCCCCNC(=O)c1scc(Br)c1Br 705484734 NZMOJYCUBCYEBM-UHFFFAOYSA-N 425.230 6.144 30 10 IKEE CCc1ccc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2cccc(O)c2Cl)cc1 762445242 KINONFLGIQEYHD-UHFFFAOYSA-O 436.944 5.090 30 10 IKEE CC(=NNc1nc(S[C@@H](C)c2nnc(C3CCC3)o2)n[nH]1)c1ccc2ccccc2c1 1084384442 VTTCTKNTJMDVAP-AWEZNQCLSA-N 433.541 5.298 30 10 IKEE COc1cc(C)c(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1C(C)C 1084519871 ILOOOYKNFXCUQL-VCHYOVAHSA-N 435.376 6.325 30 10 IKEE COc1ccc(/C=C2\S/C(=N\N=C/C=C/c3ccccc3)N(Cc3ccco3)C2=O)cc1 1554646597 WIDWOBGEDGILQO-QWISUWELSA-N 443.528 5.460 30 10 IKEE C=CCOc1ccccc1CN(C(=O)Cc1c(C)cc(C)nc1O)c1ccc(C)c(C)c1 1616627264 JNMOWIIAYICECU-UHFFFAOYSA-N 430.548 5.362 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cccc(Cl)c1 1861041941 ZPCYMWSNYMIFSY-QFIPXVFZSA-N 432.967 5.297 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 1861055676 XOACFEVOMHBCAG-FQEVSTJZSA-N 427.416 5.855 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCSC)NC(=O)/C=C/c1cccc(Cl)c1 1861548885 RARCIWCCCFXLIC-SJFMBGHLSA-N 425.038 5.068 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)COc1ccc(C)cc1C(C)(C)C 1861625930 KZAJBEHNNMSYIL-HSZRJFAPSA-N 446.676 5.823 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1cccc2ccccc12)c1ccc(Cl)cc1Cl 1862382235 HGUPOIFSIZKUIZ-OAQYLSRUSA-N 438.310 5.887 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C(C)C)cc1 1862382807 FZBJMUIXQPLEAA-IBGZPJMESA-N 434.319 5.379 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccccc2C)cc1 1862389383 DUFGIESQJZJBSU-ZOSUSCCZSA-N 445.603 6.495 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccccc2C)cc1 1862389569 IRJZOKHGDVFUDZ-VWLOTQADSA-N 440.543 5.511 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccccc2C)cc1 1862390135 WLJYPTARCTYIMN-URXFXBBRSA-N 433.548 5.095 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(Cl)c2)cc1C 1862403405 VCVJUPMGPDFTNI-OAQYLSRUSA-N 437.879 5.029 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1cccc(Cl)c1 1862470099 FRUGMDAJNSHABP-SFHVURJKSA-N 448.744 5.337 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C34CC5CC(CC(C5)C3)C4)[C@H]2c2cccc(C)c2)cc1 1862475484 MYEXTVVBMJSNFD-KYRCVXBYSA-N 441.571 5.851 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC(C)C)cc1 1862483885 GAKUXUSOMVTXPX-XMMPIXPASA-N 435.564 5.798 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862516526 QNWIPRRGLRFHHM-HOYKHHGWSA-N 435.564 5.976 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862547261 QKYSLSIYYRFOJY-XDHUDOTRSA-N 433.548 5.341 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(OC)cc1 1862557964 RVZSBELBNVRTQB-OFNKIYASSA-N 436.552 5.215 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(N(CC)CC)cc1 1862624414 XLOJSIAFRWRGGJ-DEOSSOPVSA-N 448.607 5.819 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2cccc(C)c2)cc1F 1862639023 OZXQWTLMOLZZRV-XMMPIXPASA-N 445.490 5.230 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccc1[N+](=O)[O-] 1862654988 WVWKIUMPZICBFE-HSZRJFAPSA-N 444.487 5.517 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2cc(Cl)cc(Cl)c2)cc1 1862667410 AHEKPUADUPWMOL-XCLFUZPHSA-N 448.346 5.076 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(Br)cc1 1862670106 MDCUFJYPKCTODK-FQEVSTJZSA-N 440.337 5.337 30 10 IKEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(C)cc2)cc1 1862674334 MBAPIDIVJXVJDG-OSPHWJPCSA-N 445.490 5.482 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2Cl)c1 1862675960 XNOMBILCRBQFRN-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCCCCCCC)cc2)[C@H]1c1ccc(O)cc1 1862732315 FRMYSDYMIREQQO-XMMPIXPASA-N 449.547 5.506 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862746229 BDGPEGTXTDHVIW-QHCPKHFHSA-N 448.519 5.594 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(F)cc3Cl)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862897530 RYQSIRWNBXMBNQ-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(OCC)cc2)C(=O)N(CCC(C)C)C1=O 1863575548 XYEJDIPBFSIOQT-UHFFFAOYSA-N 442.644 5.942 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2cccs2)=C(c2ccccc2F)C1=O 1863645024 XQOCALURGLKHCK-UHFFFAOYSA-N 442.600 5.898 30 10 IKEE CC[C@](C)(NC(=O)[C@H](c1ccc(Cl)cc1)C1CCCC1)C(=O)Nc1ccccc1C#N 1867007323 ICTYPBKJOLCRGX-DHLKQENFSA-N 437.971 5.409 30 10 IKEE COCCc1nc(Nc2ccccc2C#N)cc(N2CCC[C@@H]2Cc2ccc(Cl)cc2)n1 1868262377 SRZBYCSDYNVTQB-OAQYLSRUSA-N 447.970 5.146 30 10 IKEE CCc1cccc(OC2CCN(c3cc(Nc4cccc(C#N)c4)nc(CC)n3)CC2)c1 1868268711 UCBPXEOROSTHHE-UHFFFAOYSA-N 427.552 5.264 30 10 IKEE CCc1nc(Nc2cccc(C#N)c2)cc(N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)n1 1868268787 WHFSGSYHIADFQT-HSZRJFAPSA-N 425.580 6.293 30 10 IKEE Cc1cccc(N(Cc2cccnc2)c2cc(Nc3cccc(C#N)c3)nc(C(C)(C)C)n2)c1 1868333822 VFSKQJMIJFWXIF-UHFFFAOYSA-N 448.574 6.431 30 10 IKEE CC[C@@H]1CCCN1c1cc(Nc2ccc(C#N)cc2)nc(-c2ccc(C(C)(C)C)cc2)n1 1868552957 MVDDFVDEJNDHCO-HSZRJFAPSA-N 425.580 6.435 30 10 IKEE CCCCCCOc1ccc(C(=O)Nc2c(C#N)nnn2-c2ccccc2C(C)C)cc1 1870144305 XACGUQDVTWPRAP-UHFFFAOYSA-N 431.540 5.474 30 10 IKEE Cc1ccc(-n2nnc(C#N)c2NC(=O)[C@@H](Cc2ccccc2)c2ccccc2)cc1Cl 1870147640 AKHNYNVTPBJQDW-NRFANRHFSA-N 441.922 5.066 30 10 IKEE C=CCOc1cn(Cc2ccc(Cl)cc2)c(CNc2ccc(Cl)c(C)c2)cc1=O 1870812159 PETAQYASFLODBU-UHFFFAOYSA-N 429.347 5.689 30 10 IKEE C=CCn1cc(OCc2cccc(C)c2)c(=O)cc1CNc1ccc(Br)cc1 1871069338 FILGEFRTYJVVFT-UHFFFAOYSA-N 439.353 5.296 30 10 IKEE CCCCCCCCCCn1cc(OCCC)c(=O)cc1CNc1ccc(F)c(F)c1 1871105913 GMQMYORXGPBQCB-UHFFFAOYSA-N 434.571 6.668 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1COc2ccc3c(c2C1)O/C(=C\c1cn(C)c2ccccc12)C3=O 1871351181 OLOSKOBDZHUJAJ-SRUBGTOFSA-N 428.532 5.525 30 10 IKEE Cc1c(OC(=O)c2cccc([N+](=O)[O-])c2)ccc2c1O/C(=C\C=C\c1ccccc1)C2=O 1871374119 RWNYVEYYQXLEBZ-LUIQNUNFSA-N 427.412 5.295 30 10 IKEE O=C(Cc1cc(Cl)ccc1Cl)Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 1871376787 XZBYGNCDPKQYSG-NKVSQWTQSA-N 443.257 5.897 30 10 IKEE Cc1cc(OC(=O)CC2CCCCC2)cc2c1C(=O)/C(=C/c1cn(C)c3ccccc13)O2 1871380603 XKWPBHMKAGAJBZ-OYKKKHCWSA-N 429.516 5.979 30 10 IKEE Cc1cc(OC(=O)c2ccc(OCC(C)C)cc2)cc2c1C(=O)/C(=C/c1ccccc1)O2 1871382777 FKWFXUDIYUQWHU-OYKKKHCWSA-N 428.484 5.865 30 10 IKEE Cc1cc(O)c(CN2CCC(Cc3ccccc3)CC2)c2c1C(=O)/C(=C/c1ccccc1)O2 1871395123 HAJJHCFEBBKOTR-ITYLOYPMSA-N 439.555 5.772 30 10 IKEE CC[C@H](Oc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O)C(=O)Nc1cc(Cl)ccc1C 1871425391 DEOIFLMIXMTLMA-XIERNQRLSA-N 447.918 6.061 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccccc1)C2=O 1871430039 AEVIHLCUENEGNF-CSMVZQPBSA-N 427.500 5.634 30 10 IKEE COc1ccc(CCOc2ccc3c(c2C)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)cc1 1871448117 LJILFUHYFUHDSB-ITYLOYPMSA-N 442.555 6.539 30 10 IKEE CCCOc1cccc(N2CC(=O)C(c3nc(-c4ccc(OCC)cc4)c(C)s3)=C2N)c1 1872726498 ZTPWBOXBGMLJHJ-UHFFFAOYSA-N 449.576 5.023 30 10 IKEE C=CCNC(=O)c1ccc2nc(-c3ccc(OCc4ccccc4F)c(OCC)c3)[nH]c2c1 1872729794 FMACGCNYDZJWTO-UHFFFAOYSA-N 445.494 5.263 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(Br)c3)n2)cc1OC 1872761385 MEHALBMUNCZNOO-HNNXBMFYSA-N 443.322 5.080 30 10 IKEE N#C[C@H](C(=O)c1cccc(Oc2ccccc2)c1)c1nc(-c2ccccc2Cl)cs1 1872764207 HBJQYXIOPKLBCU-HXUWFJFHSA-N 430.916 6.746 30 10 IKEE COc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 1872779099 BMZALVIOBMXKDL-HSZRJFAPSA-N 440.524 6.030 30 10 IKEE CCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1 1872788668 NUYTZVBZUWZCEA-NRFANRHFSA-N 428.513 5.861 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc2nc(Cc3ccc(OCC)cc3)[nH]c2c1 1872811269 NJRVQXOBJANACI-UHFFFAOYSA-N 435.612 6.423 30 10 IKEE CCCCCCCCCCNC(=O)c1cccc(COc2ccc(/C=C/[N+](=O)[O-])cc2)c1 1872835423 CUYIZIIOMAKLIZ-HTXNQAPBSA-N 438.568 6.384 30 10 IKEE CCCCCCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C(C)C)C1=O 1873169030 VVJWBZYBFNTTCV-UHFFFAOYSA-N 435.612 5.533 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cc(F)ccc2F)=C(c2ccccc2)C1=O 1873413230 RYRJMSFHMRXMFM-UHFFFAOYSA-N 440.534 6.298 30 10 IKEE CCCCCCCCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 1873891569 GWUBSORSACDQKB-RUZDIDTESA-N 438.656 6.348 30 10 IKEE C=CCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874232996 XSWKQJCXPDJIJJ-KOEQRZSOSA-N 443.532 5.285 30 10 IKEE COc1cccc(CCc2nnc(SCc3cccc(C)c3)n2/N=C/c2ccco2)c1 1874309714 JZGIQFQQHVMFDM-PCLIKHOPSA-N 432.549 5.148 30 10 IKEE CCSc1nnc(COc2cccc(C)c2C)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874323824 JOXGUYZFPJDLBS-SSDVNMTOSA-N 445.932 5.030 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccccc2F)c1 1874408277 OPGPFDQHCOIQJW-JVWAILMASA-N 436.600 6.331 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccccc3)n2/N=C/c2ccc(N(C)C)cc2)c1 1874428290 BLMRMHATYBMNPM-WPWMEQJKSA-N 441.604 5.802 30 10 IKEE COc1ccccc1/C=N/n1c(CC(C)(C)C)nnc1SCc1c(F)cccc1Cl 1874441621 DSPWLEYTFVAIBA-DHRITJCHSA-N 446.979 5.842 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCc3ccccc3)nnc2[C@H]2CCCO2)cc1 1874445790 KSFVIMHXRYRPEL-YALBQKEFSA-N 435.597 5.150 30 10 IKEE Cc1ccsc1/C=N/n1c(SCc2c(F)cccc2Cl)nnc1[C@@H]1CCCO1 1874451890 TXNNQNDWDITAEV-CPHRPENTSA-N 436.965 5.467 30 10 IKEE COc1cccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2-c2ccco2)c1O 1874468597 PLUPCVJYRDGODO-FSJBWODESA-N 440.912 5.080 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1cn(C)c2ccccc12 1874479845 UWTVQDDONKUNKU-AFUMVMLFSA-N 438.000 5.940 30 10 IKEE O=[N+]([O-])c1ccccc1/C=N/n1c(SCc2ccccc2Cl)nnc1C1CCC1 1874495881 KDDQBIYBPDLJOJ-WSDLNYQXSA-N 427.917 5.282 30 10 IKEE COCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1c(Cl)cccc1Cl 1874502852 CZKZQCQZJAWDFC-LSFURLLWSA-N 441.771 5.559 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C(C)C)cc1 1874515748 OHTTWBCUCLCEGW-FOKLQQMPSA-N 435.380 5.891 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Br)ccc2OCc2cccc(C)c2)cc1 1874572863 JKWUMGUUGHAOLP-ACCUITESSA-N 435.361 6.795 30 10 IKEE Cc1ccc(C)c(COc2ccc(Cl)cc2/C=C/C(=O)c2cccc3ccccc23)c1 1874583286 GJANVSABAAVRNG-WYMLVPIESA-N 426.943 7.585 30 10 IKEE C=C(C)COc1c(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Br)cc1OC 1874584083 VVYDMGBPJMBTNH-ZHACJKMWSA-N 429.354 6.432 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1c(C)cc(C)cc1C 1874590029 PDNYUJFORPEKLL-CSKARUKUSA-N 441.999 6.189 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1)c1cccc2ccccc12 1874597477 PBSFYVAVICMWPW-WYMLVPIESA-N 433.334 7.622 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cccc(OCc2cccc3ccccc23)c1 1874600608 UVTZBGQCSDPMKW-BUHFOSPRSA-N 442.942 7.285 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(C)c3)c(OCC)c2)cc1 1874607148 DXVXLQFKPRKZQL-GHRIWEEISA-N 428.572 7.211 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1C 1874607617 WKAWXDBTXQOKHA-XYOKQWHBSA-N 427.327 6.786 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(OC)c1OCc1ccc(Cl)cc1 1874609390 OKRPXXFSUBMYBM-OVCLIPMQSA-N 448.946 6.561 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 1874614611 VERDFDFPRNHMBC-JLHYYAGUSA-N 435.907 5.571 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OCc2cccc(Cl)c2)c(Cl)c1 1874629545 IKELHXURMPBJLK-VQHVLOKHSA-N 441.354 7.094 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1Cl 1874637341 VMGQLFNGDDZFRT-BJMVGYQFSA-N 447.745 7.131 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cccc4ccccc34)c2)cc1OC 1874694346 YRMSCYRNXCDMHV-FYWRMAATSA-N 438.479 5.972 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2ccccc2)cc1OC(=O)CCCSC 1874700345 NOIHOQUJPWIMCG-ZHACJKMWSA-N 449.366 5.402 30 10 IKEE Cc1ccsc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1[N+](=O)[O-] 1875095210 FFMKUBZIAVERNV-UXBLZVDNSA-N 443.480 6.233 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccc(Cl)cc3)cc2)cc1C 1875107210 FYOISWBHYFCIRK-VGOFMYFVSA-N 434.919 6.091 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)cc2)cc1C 1875107387 NNJJXHWITXGICU-QNZHTUCGSA-N 446.930 6.262 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1Cl)c1cccc([N+](=O)[O-])c1 1875120717 HGMGEEIUIGPHNW-XBXARRHUSA-N 443.789 5.642 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)c1ccccc1F 1875121461 QPVAMWPUETXAGH-ZHACJKMWSA-N 440.854 5.612 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(N(C)C)cc3)c(OC)c2)cc1 1875131280 PEBNURLIMAGFKU-OMCISZLKSA-N 445.515 5.275 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3c(C)cccc3C)c(Cl)c2)cc1 1875133120 FWVFGJUOYJTHFC-UKTHLTGXSA-N 434.919 6.146 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)cc2)cc1 1875156097 KECAWSIHEJTKHR-PAJWBHGYSA-N 444.958 7.069 30 10 IKEE COc1cc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3)cc2)c(OC)cc1Cl 1875172781 LBCIRXHTLKQCFP-LFYBBSHMSA-N 440.854 5.612 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1ccc2c(c1)OCO2 1875176957 SQVOSUMANQYHQG-UXBLZVDNSA-N 444.483 5.546 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3)cc2)cc1Cl 1875185612 GRSBZNKEVMPFAD-NYYWCZLTSA-N 445.273 6.256 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)ccc1OC(=O)CC(C)(C)C 1875186515 ZCMMGONBJXKMKL-JXMROGBWSA-N 430.928 5.985 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cc(Cl)c(OC(=O)C3CCCC3)c(OC)c2)cc1C 1875186624 FJSDIZWYZDDCDS-MDZDMXLPSA-N 442.939 5.966 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3)c(Cl)c2)cc1C 1875187566 DGSLAVLEGQBNBP-FMIVXFBMSA-N 448.946 6.400 30 10 IKEE CC[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1880062879 CDVANYGDEITHLN-YADARESESA-N 429.561 5.105 30 10 IKEE C=CCN(CC(=C)B1OC(C)(C)C(C)(C)O1)C(=O)c1ccccc1OCc1ccccc1 1916886163 ZAIGCNMBEKRGSB-UHFFFAOYSA-N 433.357 5.081 30 10 IKEE CCCCCCC[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1C(=O)O 1951575550 BZUPYQGQSWAVFG-YADARESESA-N 435.564 5.929 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H](CNC(=O)OC(C)(C)C)CC(C)C)cc1 2033647192 AHGBSBBDWUXKEA-TZIWHRDSSA-N 445.604 5.816 30 10 IKEE N#C[C@@]1([C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCCSC1 2073862649 HSFJWVZLPLRIOR-SVBPBHIXSA-N 445.584 5.915 30 10 IKEE Cc1cc(C)c([C@H](n2nc(C3CCC3)c(C=NO)c2Br)C2(C)CC2)c(C)c1 2080030213 JYKACTZMRSNKML-FQEVSTJZSA-N 430.390 6.036 30 10 IKEE N#Cc1c(C2CCCCC2)nn2c(Cl)cc(-c3ccc(F)cc3Br)nc12 2081394380 HANLPEVGWKXBOQ-UHFFFAOYSA-N 433.712 5.871 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NC)c2cc(Cl)cc(Br)c2)C1 2081549643 SUXPFXBENJTJKM-INIZCTEOSA-N 429.786 5.224 30 10 IKEE CC(C)N[C@]1(C#N)C[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)CCC1(C)C 2099186495 XKNOEKUEVRKYPF-YTMVLYRLSA-N 446.683 5.460 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)cccc1Br 2116846034 WOMPISGLQCFDHV-FUHWJXTLSA-N 429.374 5.488 30 10 IKEE C=CCN(CC[C@@H](Cc1cc(Br)ccc1C)NCCC)C(=O)OC(C)(C)C 2155516275 IGQZXYNSXGKSIA-FQEVSTJZSA-N 439.438 5.481 30 10 IKEE C=CCN(CC[C@@H](Cc1ccc(Br)c(F)c1)NCCC)C(=O)OC(C)(C)C 2155520594 FIMXUXDTAJDPRS-KRWDZBQOSA-N 443.401 5.312 30 10 IKEE Cn1cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)c(C(F)F)n1 2178750736 QDVKSHVYUIUUHI-AWEZNQCLSA-N 441.276 5.127 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1ccc(C2CC2)nc1 2181762128 KZJGEHDUVANRGB-LJQANCHMSA-N 428.330 5.728 30 10 IKEE C=CCC1([C@H](NCCC)c2ccc(F)cc2Br)CN(C(=O)OC(C)(C)C)C1 2198469230 USPIMEAKLDBHAB-GOSISDBHSA-N 441.385 5.442 30 10 IKEE C=C(F)C[C@@H](NCCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229129322 WIHFLKWEUCJNDB-QZTJIDSGSA-N 429.374 5.126 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)C#Cc2ccc(Cl)cc2)c1 2231104116 SGKWEKGWMIJWRN-UHFFFAOYSA-N 434.717 5.684 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)CC 2235722743 KLTNOXCLMGRXRW-HQRMLTQVSA-N 437.422 5.108 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)[C@@H](C)CCCNC(=O)OC(C)(C)C 2235746119 IEJHMBATJOAXIX-PXNSSMCTSA-N 437.422 5.110 30 10 IKEE C=C(C)CC[C@@H](NCCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237399166 HFJYZTWMKGQGHA-UXHICEINSA-N 439.438 5.609 30 10 IKEE C=CCCCC[C@H](NCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237407462 QQQWXGQOOYZDJS-PMACEKPBSA-N 439.438 5.609 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)[C@@]2(C#N)N(C(=O)OC(C)(C)C)C1CCC1 2249363716 IRERVMGAPVBOIM-OXLXHMEASA-N 433.593 5.142 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H](Nc2c(Br)cccc2C#N)CC12CCCCC2 2285169357 GJEQYACBKVHHRK-INIZCTEOSA-N 434.378 5.445 30 10 IKEE CC(C)[C@@H](CCNC(=O)OC(C)(C)C)CCC(=O)C#Cc1ccc(Br)cc1 2296288605 JBCUHWKKBQVXBA-GOSISDBHSA-N 436.390 5.337 30 10 IKEE CCOC(=O)[C@@H](Oc1ccc2c(c1)OC(=Cc1ccc(C(C)C)cc1)C2=O)c1ccccc1 2314437973 CKCKEHADIZCAEX-MHZLTWQESA-N 442.511 6.109 30 10 IKEE CCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1cc(OC)ccc1OC 2318574224 HSBUFLLDNIKUKK-UHFFFAOYSA-N 438.597 5.330 30 10 IKEE Cc1ccc(COc2ccc3c(c2C)OC(=Cc2c(Cl)cccc2Cl)C3=O)cc1 2321745557 AFPTVIVZGLDZGW-UHFFFAOYSA-N 425.311 6.805 30 10 IKEE Sc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1c(Cl)cccc1Cl 2322259200 UMMTYNLSFMDPCG-UHFFFAOYSA-N 448.162 5.642 30 10 IKEE CCOc1ccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3cccs3)C4)C2=O)cc1 2322308475 XCLMUDUPZCFYTA-UHFFFAOYSA-N 433.529 5.424 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3ccccc3c2C=CC(=O)c2ccccc2)c1C 2322545596 MBAAOEHXGSRDFB-UHFFFAOYSA-N 435.523 6.370 30 10 IKEE O=C(C=Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1)c1ccc2c(c1)CCCC2 2323054942 SAQIRCKZIOMZMI-UHFFFAOYSA-N 437.366 7.347 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)CCCOc4ccccc4C)ccc3C2=O)cc1 2323173008 TZRWWDJNPBACPA-UHFFFAOYSA-N 428.484 5.684 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc1OCc1ccc(C)cc1 2323289008 GSAKTSQVQIPCQP-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE CCCOc1ccccc1C=CC(=O)Oc1ccc2c(c1)OC(=Cc1ccc(C)cc1)C2=O 2323341414 WJIXWBDMTBNLSV-UHFFFAOYSA-N 440.495 6.019 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(CC)cc2)cc(OC)c1OCc1cccc(F)c1 2323482891 SMOQDOUQIYECFQ-UHFFFAOYSA-N 430.519 6.600 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Br)c2)ccc1OCc1cccc(F)c1 2323673550 WJRIZESFMCHKIP-UHFFFAOYSA-N 441.296 6.072 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)cc(OC)c1OCc1ccccc1Cl 2323720050 GDDQSSXBXSZBAP-UHFFFAOYSA-N 444.861 6.111 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(OC)c1OCc1cc(C)ccc1C 2323763117 NTRFUUZGNPMLPT-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE COc1c(Br)cc(C=CC(=O)c2cccc(Cl)c2)cc1Br 2323766456 AVUMFEHLWUMKSG-UHFFFAOYSA-N 430.523 5.770 30 10 IKEE Cc1cc(O)c(CN2C[C@H](C)C[C@@H](C)C2)c2c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O2 2324054995 AWIBRYLFRZAKOY-ZIAGYGMSSA-N 446.374 6.102 30 10 IKEE CCCCCCOc1cc(C)c2c(c1)OC(=Cc1cn(CC)c3ccc(OC)cc13)C2=O 2324262062 XIBIGIQSFMEINP-UHFFFAOYSA-N 433.548 6.554 30 10 IKEE O=C1C(=Cc2ccc(Br)cc2)Oc2cc(OCCCc3ccccc3)ccc21 2324268847 ASMPWVWEIQGXCV-UHFFFAOYSA-N 435.317 6.077 30 10 IKEE COC(=O)c1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 2324355931 GBDSUTHJHCYERD-QFIPXVFZSA-N 438.508 5.640 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OCC(=O)NCc1ccco1 2324356728 PXFRHROGNLAXLX-UHFFFAOYSA-N 447.531 5.113 30 10 IKEE Cc1cccc(OCCCOc2ccc3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)c1 2324561685 PFCSNAWLFYVYQK-UHFFFAOYSA-N 428.528 6.583 30 10 IKEE COc1ccc(C)cc1-c1csc([C@@H](C#N)C(=O)C=Cc2ccc(C(C)(C)C)cc2)n1 2324572636 ZBYUUHHQYIKNRL-NRFANRHFSA-N 430.573 6.314 30 10 IKEE C[C@@H](Oc1ccc2c(c1)OC(=Cc1cccs1)C2=O)C(=O)Nc1ccc(Cl)cc1 2324609860 XTFSVPWFAOCWSG-CYBMUJFWSA-N 425.893 5.424 30 10 IKEE CC(C)c1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1 2325318183 VUJOSYCKSNRHFG-UHFFFAOYSA-N 431.463 5.583 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(O)c(OC)c1 2325565156 BQMLOZBNMBVVCZ-UHFFFAOYSA-N 432.549 5.273 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1OC(=O)c1ccccc1 2325668953 YCADFAFOTZIGPW-UHFFFAOYSA-N 434.491 6.478 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(OC)c(OC(C)C)c1 2326356842 IHZKLAGOVNVWHA-UHFFFAOYSA-N 444.988 5.464 30 10 IKEE CCCOc1ccc(C=Nn2cnnc2SCc2cccc(C)c2)cc1Br 2326374754 HQBPRCAMOUFROP-UHFFFAOYSA-N 445.386 5.312 30 10 IKEE Clc1ccc(Cl)c(C=Nn2cnnc2SCc2cccc3ccccc23)c1Cl 2326632901 MVEZFEGHRSZZOB-UHFFFAOYSA-N 447.778 6.566 30 10 IKEE CCCOc1ccc(C=Nn2c(CC)nnc2SCc2ccc(C#N)cc2)cc1Cl 2326667324 VKPFJHXISUNDBV-UHFFFAOYSA-N 439.972 5.329 30 10 IKEE C=CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1c[nH]c2ccccc12 2326924318 KOMZOVOMGHJKRF-UHFFFAOYSA-N 431.609 5.679 30 10 IKEE CCCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccc(Cl)cc1 2327300320 RUVKEBBPDKGVPV-UHFFFAOYSA-N 428.989 5.820 30 10 IKEE C=CCSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc(OCCC)cc1 2327970503 UORQDTHUXOYIJL-UHFFFAOYSA-N 441.000 5.666 30 10 IKEE C=CCSc1nnc(COc2ccc(C)cc2C)n1N=Cc1cn(C)c2ccccc12 2328904077 MOMSTTWQYSMZQB-UHFFFAOYSA-N 431.565 5.126 30 10 IKEE CCCSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1ccc(OC)c(OC)c1 2328964781 PACVGUNPDHYKBD-UHFFFAOYSA-N 438.597 5.082 30 10 IKEE CCSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1cccc(OCc2ccccc2)c1 2330089985 LPERBVHTWVMJSC-FQEVSTJZSA-N 442.588 6.003 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3)n2N=Cc2cc(Cl)ccc2O)c1 2330469812 OEZOTIJJDKONJS-UHFFFAOYSA-N 448.979 5.711 30 10 IKEE Cc1ccc(CSc2nnc(-c3cccs3)n2N=Cc2ccc(C(C)C)cc2)cc1 2330531281 RUYKCADGVQZHCW-UHFFFAOYSA-N 432.618 6.613 30 10 IKEE Cc1ccc(C=Nn2c(SCC(=O)Nc3cccc(C)c3)nnc2-c2ccccc2)cc1 2330642740 PETFZZBRMATPMV-UHFFFAOYSA-N 441.560 5.175 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(CC(C)(C)C)n2N=Cc2ccccc2C)c1 2330821145 RASMBALVQOCDCS-UHFFFAOYSA-N 449.624 5.405 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CC3CCCCC3)c([N+](=O)[O-])c2)cc1C 2330865821 ROUQMJOHVPPHAK-UHFFFAOYSA-N 437.492 5.684 30 10 IKEE O=C(COc1ccccc1)Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1Cl 2330919306 UMLDJZPWPFNHLI-UHFFFAOYSA-N 427.283 5.874 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2cccc(F)c2)nnc1[C@@H]1CCCO1 2330935428 MPSWSECMHFSSRU-NRFANRHFSA-N 438.528 5.008 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)ccc1OC(=O)c1ccc(F)cc1F 2330979963 UTVMIHNFEVJNEP-UHFFFAOYSA-N 438.426 5.487 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OC(=O)c1sccc1C 2331100943 FEGWNPUHSUJWBK-UHFFFAOYSA-N 428.456 5.849 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)c1ccc(Cl)cc1 2331138319 LEWYMTHMFXQJBX-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE COCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1OC 2331238626 FQNKOHGIRUEPKP-UHFFFAOYSA-N 429.683 5.103 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 2331294243 GXEZQYBIDXHHQG-UHFFFAOYSA-N 431.444 5.499 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2Cl)cc1 2331319901 ZDSUOCWDHJHDCA-UHFFFAOYSA-N 434.919 6.471 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)Cc3cccs3)c(Cl)c2)c1 2331385212 KBAUCCKDLXJLHD-UHFFFAOYSA-N 442.920 5.463 30 10 IKEE CC(C)(C)c1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(O)cc1 2331402073 LOPAWELOZGZMJB-UHFFFAOYSA-N 435.380 5.763 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3ccccc3C)cc2)cc1F 2331451050 HNYCIMXKWDIEOD-UHFFFAOYSA-N 448.490 5.803 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2Cl)cc1 2331493435 JFRGRDJBLHLNBS-UHFFFAOYSA-N 434.919 6.587 30 10 IKEE CN(C)c1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C2CCC2)cc1 2331547905 PUODILLQHOFUQU-UHFFFAOYSA-N 443.979 5.579 30 10 IKEE COCc1nnc(SCc2ccccc2)n1N=Cc1ccc(OCc2ccccc2)cc1 2331577446 NZFPPMXXGOGWFO-UHFFFAOYSA-N 444.560 5.178 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OC(=O)CC(C)C 2331578162 YOWAPDPVLGADKH-UHFFFAOYSA-N 438.564 6.373 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)[C@H](C)c3ccccc3)cc2)c1 2331673945 JTEIWXQJXKNKGQ-HXUWFJFHSA-N 444.527 6.089 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3)c(Cl)c2)c(OC)c1 2331717616 SEBXKKYPVXLPHR-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc(OC)c1OC(C)=O 2331814632 CTEJAIHVWQRJKR-UHFFFAOYSA-N 435.303 5.561 30 10 IKEE CO[C@H](C#C[C@@H](O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1)C1CCCC1 2369526534 LXDGCMDVVOSMIW-RTBURBONSA-N 438.362 5.038 30 10 IKEE Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc2oc(Cc3ccc(Cl)cc3)nc2c1 1946549 BRIUIAFLVXPZPX-OPEKNORGSA-N 431.706 6.835 30 10 IKEE C=CCn1c(SCc2cc(=O)oc3ccc4ccccc4c23)nc2ccccc2c1=O 3515865 CSIANHLKFLJUGA-UHFFFAOYSA-N 426.497 5.134 30 10 IKEE CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(C(C)(C)C)cc2)cc1 21234318 CFMRBVOUGVLRKP-REWPJTCUSA-N 429.604 6.286 30 10 IKEE CC(C)c1ccc(/C=C2\S/C(=N/c3ccncc3Cl)N(c3ccccc3)C2=O)cc1 39864517 JRJOYYUKCCMLTA-GKOYHKHUSA-N 433.964 6.667 30 10 IKEE CCOc1cc(/C=C2\S/C(=N/c3nc(-c4ccccc4)cs3)N(C)C2=O)ccc1O 39865720 FYTURXVGRFDVGW-QLIPUSLZSA-N 437.546 5.148 30 10 IKEE C=CCn1c(SCCC(=O)N(c2ccccc2)c2ccccc2)nnc1-c1cccnc1 59264217 JPOIFRZISNVBFD-UHFFFAOYSA-N 441.560 5.373 30 10 IKEE CCCCCCCCCCCCCCCCCCNC(=O)N[C@H]1CCS(=O)(=O)C1 59568202 FHRAWYSPIRVPJX-QFIPXVFZSA-N 430.699 5.734 30 10 IKEE N#Cc1ccc(/C=C/c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)cc1 95698637 UTSAVTYRFNIHEG-QZQOTICOSA-N 437.546 6.765 30 10 IKEE C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3ccc(OC(F)F)c(OC)c3)c12 98001123 LKUKKQSCWUCMMG-LUAWRHEFSA-N 437.446 5.290 30 10 IKEE C=CCOc1ccccc1NC(=O)CNCCCCCCCCCCCCCCCC 100055753 SZWPYDSNKPUIOI-UHFFFAOYSA-N 430.677 7.261 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)CNc1ccc(OCCCC)cc1 100075697 OPCOZOVGBULFRD-UHFFFAOYSA-N 446.720 7.875 30 10 IKEE CCCCCCCCCCOc1ccc(C2=N/C(=C\c3ccc(C(C)C)cc3)C(=O)O2)cc1 100994989 YQCWKEPWROTOBZ-MEFGMAGPSA-N 447.619 7.674 30 10 IKEE CCCCCCCCCCCCCCCCCCSCC/N=C\c1ccc(O)cc1O 102773169 TXQJBARSXVYLGF-COOPMVRXSA-N 449.745 8.511 30 10 IKEE CCCCCCCCCC(=O)NCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1C 102998293 NVXLWIXMNKCFSE-UHFFFAOYSA-N 440.632 5.674 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2cccc(C)c2C)cc1 169925199 SIZUVRVKWCAWRH-NRFANRHFSA-N 448.544 5.168 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2cccc(OC)c2)c1 169935585 NOTYSMFKBZLJEL-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1cccc(C)c1 169971742 SOLQGFDBRZOVHA-HSZRJFAPSA-N 449.453 5.373 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(OC(C)C)c2)ccc1F 169981460 LEVAKMOIGFBJQL-HSZRJFAPSA-N 437.511 5.442 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccnc2)cc1 170006804 MISUTTORKSGOJR-QHCPKHFHSA-N 440.455 5.009 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(NC(C)=O)cc2)=C(N(C)c2ccccc2)C1=O 170051512 YVSFPQSJONCZEB-UHFFFAOYSA-N 447.579 5.222 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)[C@H]1c1ccco1 170095495 YFHWXGXNHJEESW-NRFANRHFSA-N 441.405 5.400 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cc(C)cc(C)c3OC)=C(O)C(=O)N2c2ccccc2)c1 170117950 LVVIICCPZQXPDK-HSZRJFAPSA-N 443.499 5.104 30 10 IKEE Cc1ccc(Cl)cc1NC1=C(c2ccc(Cl)cc2)C(=O)N(c2ccc(C#N)cc2)C1=O 170137226 RNFXDTZRLZHWPD-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1ccc(O)cc1 170137507 VYUKXXOPWUPGAB-QHCPKHFHSA-N 435.564 5.767 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc(OC(C)C)c1 170153111 MUKWUHQOTKMUSQ-RUZDIDTESA-N 443.543 6.005 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccs2)cc1 170157091 AGLNJQMBCCIWIJ-NPMXOYFQSA-N 445.540 5.417 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2cccs2)c1C 170158872 MELOXBCJLMBOHE-HSZRJFAPSA-N 447.556 5.935 30 10 IKEE COc1ccc(C2=C(Nc3ccc(C(C)C)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170159628 MPXHYSMCCHSCPU-UHFFFAOYSA-N 437.499 5.087 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2cccnc2)c1 170185113 YYKVKNUZFUEUIY-DEOSSOPVSA-N 442.515 5.270 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccnc2)ccc1OC(C)C 170194313 DRUKFDUESLEOIG-QHCPKHFHSA-N 434.536 5.088 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@@H]1c1c[nH]c2ccccc12 170255279 VGODHUZDGBALIT-DEOSSOPVSA-N 446.547 5.678 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2C)c1 170272040 NGTFOSCPSRLQHB-HSZRJFAPSA-N 447.918 5.830 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccco2)c1 170281892 IOGPNJRQRODOHB-NRFANRHFSA-N 439.414 5.130 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@@H]1c1c(C)[nH]c2ccccc12 170312168 AVNVJTUGYLUNKF-QFIPXVFZSA-N 432.520 5.090 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1)c1ccccc1 170421093 WIKZRNNWLXGFCV-NRFANRHFSA-N 437.417 5.484 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)CCCOc2ccccc2Cl)nc2ccccc12 170536936 LMYSJKNYKOIGMV-UHFFFAOYSA-N 445.910 5.052 30 10 IKEE Cc1cc(Oc2cccc(OCc3ccccc3)c2)cc(B2OC(C)(C)C(C)(C)O2)c1C=O 218333311 XBAYVSLEIBOKFI-UHFFFAOYSA-N 444.336 5.478 30 10 IKEE COc1cc(C=Nn2c(-c3cccc(C)c3)n[nH]c2=S)ccc1OCc1ccccc1 254555241 FUMOKTCWMFVFAP-UHFFFAOYSA-N 430.533 5.386 30 10 IKEE COc1ccc(C=Nc2nc3ccccc3n2Cc2ccc(C(C)(C)C)cc2)cc1OC 254875613 ZNMHLWFKGIKJBA-UHFFFAOYSA-N 427.548 6.150 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)s1)NCCC 406631954 IOFDHGSJWSCTJF-HZPDHXFCSA-N 431.440 5.281 30 10 IKEE CCCCCCC[C@@H](NCCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 406866221 IPJOFOTVGOQZNR-HXUWFJFHSA-N 441.454 7.197 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccc(OC)c2)cc1 526484872 BKLIPHQWXRWNDF-RUZDIDTESA-N 440.499 5.413 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccc(OC)c2)cc1 526605347 WDEHEDGBONFEQH-RUZDIDTESA-N 440.499 5.413 30 10 IKEE CCCCCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccccc2F)cc1 526803246 UAQFWJIBNAHMHH-XYGWBWBKSA-N 426.561 5.723 30 10 IKEE CSc1cccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 586217317 AOEVVSSNOGRHCS-UHFFFAOYSA-N 428.966 5.329 30 10 IKEE C=CCCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1cc(OC)ccc1OC 586249753 PHOBADIRTYASGA-UHFFFAOYSA-N 439.533 5.268 30 10 IKEE COc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)cc1C 698458449 SLUAMSKVNQSVSD-SFHVURJKSA-N 431.330 5.773 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)COc2ccccc2C1 698482588 PLWCBCAOHGNTEF-NRFANRHFSA-N 429.314 5.088 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@](C)(C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 699669618 WVEIHPBWLJHCTJ-CLOONOSVSA-N 449.636 5.876 30 10 IKEE C=C1CCC(C[C@H](NC)C2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)CC1 724569706 KUHLFPYPPAIGGA-DEOSSOPVSA-N 441.660 5.270 30 10 IKEE Cc1nn(Cc2ccc(Cl)cc2)c(C)c1/C=C\C(=O)c1ccc(C(F)(F)F)nc1O 740765059 OKNYSYVNSNZNOZ-CLFYSBASSA-N 435.833 5.217 30 10 IKEE COC(=O)c1ccc(N=Cc2cccc(OC(=O)c3sc4ccccc4c3Cl)c2)cc1 1084119622 BHJPBNHUFXYUNK-UHFFFAOYSA-N 449.915 6.311 30 10 IKEE C=C(C)[C@@H]1CC[C@@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)/C(=N\O)CC[C@@]34C)[C@@H]12 1614467717 IBHLVHLIYYDTRV-OXRKVNKHSA-N 439.728 8.494 30 10 IKEE C=CCN1C(=O)/C(=C/c2cccc(OCc3ccc(C)cc3)c2)SC1=Nc1cccnc1 1772732183 VIOPYAUDRVXLJO-VYYDMKJGSA-N 441.556 5.759 30 10 IKEE COc1cccc(/C=C2/SC(=Nc3cccc(C)n3)N(c3ccccc3)C2=O)c1OC 1772734094 BNEHAQLJUYUNPH-VDCIBEPTSA-N 431.517 5.216 30 10 IKEE CCc1ccc(/C=C2/SC(=Nc3cccc(C(=O)O)c3)N(C3CCCCC3)C2=O)cc1 1772735291 IOOWEZFKWMTONV-XKEFNESHSA-N 434.561 5.884 30 10 IKEE Cc1nnc(N=C2S/C(=C\c3ccc(Br)o3)C(=O)N2c2ccccc2)s1 1772739360 SXBIKZPMGUHGKA-WNKVGQEKSA-N 447.339 5.011 30 10 IKEE N#Cc1c(NC(=O)COc2ccc(NC(=O)C3CCCCC3)cc2)sc2c1CCCC2 1860139320 LQVQYNCQKVEFGO-UHFFFAOYSA-N 437.565 5.035 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(C)cc2)n(-c2ccc(Cl)c(Cl)c2)n1 1862377656 CCKUXRGTGHVEKN-UHFFFAOYSA-N 426.347 5.969 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2[C@@H](C)CC)c1 1862383503 LIJQJICDQHIIDM-RNODOKPDSA-N 448.346 5.769 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccccc2F)c1 1862443369 OPHRVSGFWLVLTN-QHCPKHFHSA-N 449.909 5.874 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccc(O)c1 1862490015 LZHHAOKIGFVMRY-YKSBVNFPSA-N 435.564 5.946 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc(Cl)cc2)c1 1862491478 UTGLRZBCDNOHRU-AMHTUMDSSA-N 437.967 6.114 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc2c(c1)CCCN2C 1862499063 XHDQWENDRJZMNY-XMMPIXPASA-N 432.564 5.064 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1cccc(Cl)c1 1862527238 SRWWFOJCARKCIR-KPZWWZAWSA-N 448.744 5.479 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(CC)cc1 1862529381 FLNURJZFTOOZQI-VWLOTQADSA-N 449.591 5.597 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccc(Cl)cc2)cc1 1862554485 DPODDFHMLVRESD-QFIPXVFZSA-N 432.907 5.009 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(Cl)cc1Cl 1862562892 QDFXCAGAPCLXGF-FQEVSTJZSA-N 447.362 5.734 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862587418 QTDCBEGLRDOCMA-INIZCTEOSA-N 445.129 5.898 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(C(C)(C)C)cc2)=C(O)C(=O)N1[C@@H]1CCCC[C@@H]1C 1862613995 VEZYFFIXPFFQJW-DNVKUUNQSA-N 445.603 6.450 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccccc1Cl 1862626931 IQNHNPOTMRMJLY-OAQYLSRUSA-N 441.911 5.227 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2Cc2cccnc2)cc1 1862649156 RLRABQPLJXABDU-RUZDIDTESA-N 434.495 5.322 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc(OCCC)c1 1862655653 MMQGDYMEPWFJMV-XMMPIXPASA-N 427.500 5.393 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(C)cc1 1862659888 FLYBXSUTALPJJP-AZGAKELHSA-N 447.619 7.056 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)cc1 1862664120 WETYMIUZEJYEDQ-YZXAJQSBSA-N 445.603 6.529 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(CC)cc1 1862735129 CIQDEFHXBCKZNR-QFIPXVFZSA-N 436.508 5.316 30 10 IKEE N#Cc1ccccc1N1C(=O)C(Nc2ccccc2Cl)=C(c2ccc(Cl)cc2)C1=O 1862804715 IXCAEBXIIDPRSN-UHFFFAOYSA-N 434.282 5.262 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C)cc2)=C(c2ccc(OCC)cc2)C1=O 1863209031 GUZWYYVOMFHUGS-UHFFFAOYSA-N 434.580 5.946 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@H](C)CC)=C(c2ccc(OC)c(OC)c2)C1=O 1863520390 OPCBPDFKBBMRPT-LJQANCHMSA-N 444.616 5.313 30 10 IKEE CCCCCCCCNC1=C(c2cccc3ccccc23)C(=O)N(Cc2cccnc2)C1=O 1863576262 CNDZBCYZJOLUDS-UHFFFAOYSA-N 441.575 5.465 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(OCCC)cc2)C(=O)N(CCCC)C1=O 1863680848 HRNRGZNSVZCQSE-UHFFFAOYSA-N 442.644 6.086 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)CCc2cccc(Br)c2)c1 1866123902 IFGRYTPJEQYCAQ-UHFFFAOYSA-N 447.332 5.432 30 10 IKEE Cc1ccc([C@H](CC(=O)N[C@@H](C(=O)Nc2cccc(C#N)c2)c2ccccc2)C(C)C)cc1 1866735412 HLVQUPRSMACIMF-XNMGPUDCSA-N 439.559 5.493 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3cc4cccc(C)c4nc32)nc(-c2ccc(C)cc2)n1 1869159267 WQYXUHCVVXUNIZ-UHFFFAOYSA-N 447.586 6.181 30 10 IKEE CC(C)(C)c1cccc(-n2nnc(C#N)c2NC(=O)c2cccc(Oc3ccccc3)c2)c1 1870153099 BKIXINJNUVAEAO-UHFFFAOYSA-N 437.503 5.481 30 10 IKEE C#CCOc1cn(CCCCCCCC)c(CSc2nc3ccccc3s2)cc1=O 1870300624 NJXIMPITMFSZID-UHFFFAOYSA-N 440.634 6.123 30 10 IKEE CCCCCCCCCCn1cc(OCCOC(C)C)c(=O)cc1CN1CCCCCC1 1870548354 CVRCMFUUNYJQBJ-UHFFFAOYSA-N 448.692 6.169 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2C)c(=O)cc1CN(CC)CCCC 1870628160 VROFMMMFJUULBO-UHFFFAOYSA-N 440.672 6.718 30 10 IKEE CCCCCCCOc1cn(CCCOCC)c(CNc2cccc([N+](=O)[O-])c2)cc1=O 1870830242 JLCZVAIGGQKJNF-UHFFFAOYSA-N 445.560 5.144 30 10 IKEE CCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1cccc(Cl)c1C 1871251340 ZEKHHURGGBHESN-UHFFFAOYSA-N 435.955 5.673 30 10 IKEE CCCCOc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCC)cc1 1871251749 UWILCUAWCVRNBR-UHFFFAOYSA-N 445.563 5.500 30 10 IKEE CCc1ccccc1NCc1cc(=O)c(OCc2ccc(C#N)cc2)cn1Cc1ccco1 1871253559 BFSFDXYYKSRGQW-UHFFFAOYSA-N 439.515 5.115 30 10 IKEE Cc1cc(C)cc(OCCN2COc3ccc4c(c3C2)O/C(=C\c2ccccc2)C4=O)c1 1871347227 IJHHSNIDNADARJ-MYYYXRDXSA-N 427.500 5.151 30 10 IKEE CCCCCCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc2c(c1)OCO2)C3=O 1871348578 HHUVSMKOTYEFPU-OYKKKHCWSA-N 449.547 5.852 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/C=C/c1ccccc1)O3)CN(CCC1=CCCCC1)CO2 1871349495 OZCLMOKPHBOZKZ-CSNXJAGESA-N 427.544 6.210 30 10 IKEE CCN(CC)CCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(C(C)(C)C)cc1)C3=O 1871351037 HDHVVCBPXYAKET-JLPGSUDCSA-N 434.580 5.094 30 10 IKEE CCCCC[C@H](CC)N1COc2c(cc3c(c2C)O/C(=C\c2ccccc2OCC)C3=O)C1 1871353755 ZFUMJRZWEJUEIS-TYGBLEFESA-N 449.591 6.521 30 10 IKEE CCCCCCCCN1COc2c(cc3c(c2C)O/C(=C\c2ccc(N(C)C)cc2)C3=O)C1 1871355362 GUADYKYZIJGVRW-XYGWBWBKSA-N 448.607 6.190 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OC(=O)CCc3ccc(C)cc3)ccc2C1=O 1871366865 QOIVBTUBQAETDS-XYGWBWBKSA-N 428.484 5.548 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OC(=O)c3ccc(-n4cccc4)cc3)cc(C)c2C1=O 1871384310 PSESQKHIMCKILX-JCMHNJIXSA-N 441.508 5.991 30 10 IKEE Cc1cc(OC(=O)c2ccc(OC(C)C)cc2)cc2c1C(=O)/C(=C/c1cccc(F)c1)O2 1871388391 SYPJOJQQNRBUCT-QRVIBDJDSA-N 432.447 5.757 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871389524 AHVHETSYAAKREJ-BDUSHXLBSA-N 438.479 5.951 30 10 IKEE COc1ccc(/C=C2\Oc3c(CN(C)C4CCCCC4)c(O)cc(C)c3C2=O)cc1OC 1871393442 NBJJDDUYOGJEJG-UCQKPKSFSA-N 437.536 5.099 30 10 IKEE Cc1cc(OCCCc2ccccc2)cc2c1C(=O)/C(=C/c1ccccc1Br)O2 1871399273 IAKMUBADIDLWJR-HAHDFKILSA-N 449.344 6.385 30 10 IKEE Cc1ccc(OCCCCOc2ccc3c(c2C)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871406242 YJRBENFZOFCTJS-UQQQWYQISA-N 448.946 6.811 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccccc2)C3=O)cc1 1871412131 PKOGRAMKXKJDQO-XMSCMFJESA-N 429.472 5.026 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCCOc4cccc5ccccc45)c3C)C2=O)o1 1871415419 BAHMSZMDBVYICN-XYGWBWBKSA-N 426.468 6.124 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccccc1)C2=O 1871457778 XXBUWRITWORNAB-UUYOSTAYSA-N 433.891 5.591 30 10 IKEE C=CCN=c1nc(Nc2ccc(Nc3ccccc3)cc2)[nH]c(N(C)Cc2ccccc2)n1 1871606347 RTPGILBADVXHQD-UHFFFAOYSA-N 437.551 5.015 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)C(C)C)S(=O)(=O)c1cccs1 1872014059 RTBQFPPGEKBNLV-OAQYLSRUSA-N 448.654 5.276 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Cl)cc1C)[C@H](C)CC)S(=O)(=O)c1ccccc1 1872506884 HWPTYNJXVDDUGT-VGOFRKELSA-N 449.016 5.269 30 10 IKEE CC(=O)Nc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Br)cc3)cs2)c1 1872764911 AWCJMUMYPTZNOH-KRWDZBQOSA-N 440.322 5.021 30 10 IKEE Cc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1C 1872765329 MUNSWCKBLPJMQP-GOSISDBHSA-N 441.350 5.445 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccs3)n2)cc1OCCC 1872767112 OEXAFCLALRORFR-INIZCTEOSA-N 426.563 5.939 30 10 IKEE Cc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3c[nH]c4ccccc34)cs2)c(C(C)(C)C)c1 1872777831 XFCRPINUMRBRAF-GOSISDBHSA-N 443.572 6.153 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccc(Cl)cc3)n2)c(C)c1C 1872778893 WYVAFVOQNWHLMR-BEFAXECRSA-N 440.952 5.733 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)cc3)n2)c(OCC)c1 1872783605 DNXVFYXBUCPHHE-SFHVURJKSA-N 426.925 5.751 30 10 IKEE Cc1cc(C)c(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(Cl)cc3Cl)n2)c(C)c1 1872786497 LXNQJTBXTYHMFM-SUQGKYDKSA-N 441.383 6.932 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc3c[nH]nc3c2)=C(c2ccccc2)C1=O 1873413332 XKOFNTRKERPFMZ-UHFFFAOYSA-N 444.579 5.896 30 10 IKEE Clc1ccc(COc2cccc(/C=N/Nc3ccc(Cl)c(Cl)c3)c2)c(Cl)c1 1873498680 CIDSFVNKTLOCGU-OPEKNORGSA-N 440.157 7.325 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(OCC)c(OC)c2)n1/N=C/c1ccccc1 1874200050 IQCZBJNZDPLRMI-PCLIKHOPSA-N 436.581 5.021 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccccc1Cl 1874266769 NMKIZLKEESFGFD-FOKLQQMPSA-N 433.364 5.714 30 10 IKEE CCCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(N(C)C)cc1 1874271388 UEKWICKLVUCSBY-NLRVBDNBSA-N 429.593 5.472 30 10 IKEE Clc1ccc(CCc2nnc(SCCc3ccccc3)n2/N=C/c2ccco2)cc1 1874283619 QPHNTFSBTKYDPY-KOEQRZSOSA-N 436.968 5.527 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccncc1 1874297423 BEVPGCDHXJBJKL-MZJWZYIUSA-N 447.539 5.183 30 10 IKEE COc1cccc(CCc2nnc(SCc3cc(C)ccc3C)n2/N=C/c2ccc[nH]2)c1 1874310491 YICYIXPOUOUPOX-JVWAILMASA-N 445.592 5.191 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccccc1OCCC 1874367357 YJILAOXBPKMXPQ-ZVHZXABRSA-N 426.973 5.938 30 10 IKEE C=CCSc1nnc(CCc2cccs2)n1/N=C/c1cccc(Br)c1 1874371336 UIOMKWXTXYUHDR-DEDYPNTBSA-N 433.400 5.048 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2[C@H](C)c2ccccc2)cc1 1874401766 VNEYAATXSGLOBU-BWJYWGHISA-N 447.007 6.566 30 10 IKEE C(=N/n1c(Cc2cccs2)nnc1SCc1cccc2ccccc12)\c1cccs1 1874413598 BSHMBCBONALCKF-BUVRLJJBSA-N 446.626 6.320 30 10 IKEE CCCCOc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCCC)cc1OC 1874414034 YMZHGGWWNOHGGY-XQNSMLJCSA-N 444.626 5.502 30 10 IKEE O=[N+]([O-])c1ccccc1/C=N/n1c(Cc2ccccc2)nnc1SCc1cccc(F)c1 1874417822 UOSJXBCUZULVRL-MFKUBSTISA-N 447.495 5.091 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(CC(C)(C)C)n2/N=C/c2ccccc2)c(C)c1 1874441918 MXMTZMGIZZETOD-MFKUBSTISA-N 435.597 5.097 30 10 IKEE Cc1cccc(CSc2nnc(C(F)(F)F)n2/N=C/c2cccc3ccccc23)c1 1874459296 GRWIUPJFIYFZCI-LGJNPRDNSA-N 426.467 5.933 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874476850 WEPOOZSUJHLUGF-WYMPLXKRSA-N 448.951 5.302 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCCc3ccccc3)nnc2C(C)(C)C)cc1 1874484426 VRLMASZSYJUUKA-LGUFXXKBSA-N 435.641 5.639 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CCC2)cc1OC 1874497320 FEFFXURAHRSWNK-ZMOGYAJESA-N 442.972 5.391 30 10 IKEE Clc1cccc(CSc2nnc(C3CC3)n2/N=C/c2ccc(Cl)cc2Cl)c1 1874523449 QDFSNIVXHPTIBL-AUEPDCJTSA-N 437.783 6.290 30 10 IKEE Cc1ccccc1COc1ccccc1/C=N/n1c(S)nnc1Cc1ccccc1F 1874562059 ZQUCLGKRIIRWKE-CVKSISIWSA-N 432.524 5.066 30 10 IKEE CCc1ccc(/C=N/n2c(S)nnc2CCCOc2cc(C)c(Cl)c(C)c2)cc1 1874570939 PHJGBEIEMLWAFJ-ZVHZXABRSA-N 428.989 5.293 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2C)c1 1874572633 XTERJHUVKYSWIW-ZRDIBKRKSA-N 435.907 5.571 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c1OCc1ccc(F)cc1 1874575386 KOZBUGFKCXWPOA-IZZDOVSWSA-N 441.842 5.871 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(C)cc2C)c1 1874578674 APRKGFWNXIIANT-RMKNXTFCSA-N 447.962 6.487 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C)cc2)c1OCC(=O)N[C@H](C)c1ccccc1 1874580127 YSSLCWOORHPVRW-KBZZJAQTSA-N 429.516 5.156 30 10 IKEE Cc1cccc(COc2ccc3ccccc3c2/C=C/C(=O)c2cc(Cl)ccc2Cl)c1 1874591341 FYEUKQODEMEJGJ-ACCUITESSA-N 447.361 7.930 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3ccccc3Cl)c2)cc1Cl 1874600074 RHIIOINHZIPPHI-JXMROGBWSA-N 443.326 6.486 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1c(C)cccc1C 1874614418 PLWVPVIBSSIRJD-NTUHNPAUSA-N 449.934 5.879 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OCC 1874617675 OIBUARQASBKUSJ-JLHYYAGUSA-N 437.580 5.626 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(OC)c1OCc1cccc(C)c1 1874623746 SKWVOEIUIBRCGL-CCEZHUSRSA-N 438.523 6.641 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)CSc3ccccc3)c2)cc1 1874694563 JKTODSZFTLRPHP-RVDMUPIBSA-N 432.541 5.851 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2cccc(Br)c2)c1)c1cccc(Cl)c1 1874699250 LURVXEHIIQJRSP-ZHACJKMWSA-N 441.708 6.218 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cc(Cl)ccc3Cl)c2)c(C)c1 1874702299 MXQZYVMBROQKQL-YRNVUSSQSA-N 425.311 6.726 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cc(Cl)ccc3Cl)c2)cc1 1874710359 YHOTYZQXJPKOBU-AWNIVKPZSA-N 439.338 7.232 30 10 IKEE COc1ccc(OCC(=O)Oc2cc(/C=C/C(=O)c3ccc(C)c(C)c3)ccc2OC)cc1 1874713787 NTZHZCOAKNRZCD-AWNIVKPZSA-N 446.499 5.201 30 10 IKEE CCCCCCCCC(=O)N1[C@H](C(C)(C)C)CSc2nnc(CCc3cccs3)n21 1874997958 VVJLZUQNDQYLJP-IBGZPJMESA-N 448.702 5.860 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1cccc(F)c1 1875096062 UUCUFYMKPMISPV-UKTHLTGXSA-N 426.443 6.103 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 1875097497 NNOKLZMVZLJVPQ-GXDHUFHOSA-N 427.456 5.589 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Br)c1OC(=O)C1CCC1 1875128683 OYYDNLRAZIFNDP-VAWYXSNFSA-N 429.310 5.449 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)[C@@H](C)Oc1ccc(C(C)C)cc1 1875129381 ZDOLJQXBMWMVHY-NXZBIGBUSA-N 444.527 6.088 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(C)c3)cc2)c(OC)c1 1875141277 WIZDCMFNRLWXBN-AWNIVKPZSA-N 434.463 5.196 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)c1cc(C)cc(C)c1 1875171597 DXTLGWIRTQVBIN-VQHVLOKHSA-N 444.527 6.053 30 10 IKEE CCOc1ccc(F)cc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F 1891041450 AHQIVQPTPCEOQF-UHFFFAOYSA-N 431.329 5.063 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)cc1 1949109470 HYHGYQWQDRIGFA-JXQFQVJHSA-N 427.545 5.028 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1991928204 NWNXURYWGZOKPZ-MSOLQXFVSA-N 435.952 5.373 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 1997653040 PQPYFBKZDHHBFQ-PFWHTEFJSA-N 429.561 5.213 30 10 IKEE C=CCC1([C@H](NC)c2ccc(Br)c(Cl)c2)CN(C(=O)OC(C)(C)C)C1 2041561611 BLCNPMRFSIPZDW-MRXNPFEDSA-N 429.786 5.176 30 10 IKEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2045241165 PZZTVLFTGJRYDR-CLOONOSVSA-N 449.636 5.876 30 10 IKEE CC(C)[C@@H](C)N(Cc1ccccc1)c1ncc(B2OC(C)(C)C(C)(C)O2)c2ccsc12 2052608931 OUBZWAATXNGVHQ-GOSISDBHSA-N 436.430 5.647 30 10 IKEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](N(Cc2ccccc2)C2CN(C(=O)OC(C)(C)C)C2)C1 2054196165 DQUANUIJGMDMSY-AKFKNWHVSA-N 439.644 5.853 30 10 IKEE CCc1ccc([C@H](C(C)C)n2nc(C(C)(C)C)c(C#N)c2I)cc1 2079115042 CGCBHCOIWXCPKH-KRWDZBQOSA-N 435.353 5.465 30 10 IKEE Fc1c(F)c(F)c(-n2nc(C3CCC3)c(C(F)(F)F)c2Br)c(F)c1F 2079826570 UXQYMUUCHWQZLU-UHFFFAOYSA-N 435.112 5.617 30 10 IKEE CC(C)[C@@H](c1ccc(C(F)(F)F)cc1)n1nc(C(F)(F)F)c(C#N)c1Br 2079908313 RGJJUJKSSGITSX-LBPRGKRZSA-N 440.185 5.800 30 10 IKEE CCc1cc(Br)c([C@@H](C#N)N(CCN(CC)CC)C(=O)OC(C)(C)C)s1 2089742318 XUXLJXLWHLTJEQ-MRXNPFEDSA-N 444.439 5.217 30 10 IKEE C=CCC1(Nc2cc(Br)ccc2C(F)(F)F)CN(C(=O)OC(C)(C)C)C1 2106023819 LFXXCJJPQHXLRJ-UHFFFAOYSA-N 435.284 5.445 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)ccc(Br)c1F 2159126621 WXSGSVOUHQMTEK-CRAIPNDOSA-N 445.348 5.075 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc2c(c1)N(c1ccc(C#N)cc1Br)CCC2 2174810655 OWBXOFIQXHQCDY-UHFFFAOYSA-N 428.330 5.752 30 10 IKEE CC1(C)CC(C)(C)CC(C#N)(c2ncc(I)cc2Br)C1 2189900847 LSHGXSBZSNNDPX-UHFFFAOYSA-N 447.158 5.446 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)[C@@H]1C[C@H]1c1ccccc1 2200293423 JPRGUGSMQGSHGJ-XUVXKRRUSA-N 427.342 5.886 30 10 IKEE CCCN[C@H](C#CC(C)(C)C)c1ccc(I)c(Br)c1 2225440114 RURADGYPDUJHLD-OAHLLOKOSA-N 434.159 5.144 30 10 IKEE CCCCCCCCC[C@@H](CO)N(C(=O)OCc1ccccc1)c1cccc(Cl)c1 2235436037 AXAAMXRMWBMLSF-DEOSSOPVSA-N 432.004 6.985 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc(CC[C@H](N)C#Cc2ccccc2Br)c1 2235735099 YSBCCQZNRALNLK-SFHVURJKSA-N 429.358 5.108 30 10 IKEE CC(C)(C)OC(=O)NC[C@@]1(C)CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2258803476 GKVHHTHONDQLQR-DNQXCXABSA-N 447.551 5.544 30 10 IKEE C=CC[C@@]1(COc2ncc(C)cc2Br)CCCN(C(=O)OC(C)(C)C)C1 2272229875 RKJQFDWFYYIARJ-HXUWFJFHSA-N 425.367 5.125 30 10 IKEE CCN[C@H](CC#CC1CCCC1)c1ccc(I)c(Br)c1 2289871338 XGGZQHCRMKCIAN-QGZVFWFLSA-N 446.170 5.288 30 10 IKEE Cc1cc(C)cc(N=C2NC(=O)C(=Cc3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)S2)c1 2293990164 BPRGRPBFRSPLDW-UHFFFAOYSA-N 446.532 5.511 30 10 IKEE CC(C)(C)OC(=O)N[C@H](CC(=O)C#Cc1cccc(Br)c1)c1ccccc1 2296224919 PDTNBJPFHWTEMP-HXUWFJFHSA-N 428.326 5.026 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)CC[C@@H](CC)NC(=O)OC(C)(C)C 2296311022 QVCFFQLWRFSSSD-WOJBJXKFSA-N 437.422 5.252 30 10 IKEE CCN1C(=O)C(=Cc2cc(Br)ccc2OC)SC1=Nc1ccc(OC)cc1 2297560584 PWIIMESHJDHVBA-UHFFFAOYSA-N 447.354 5.090 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@H]1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 2298584113 HFXGGURVLBGXAA-QPXUXIHVSA-N 428.617 5.163 30 10 IKEE CCCCCCC[C@@](C)(NCCN(OCc1ccccc1)C(=O)OC(C)(C)C)C(=O)O 2306140316 MGOBWEIDBHVOFI-XMMPIXPASA-N 436.593 5.149 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(-c3ccccc3)o2)SC1=Nc1nc2ccccc2s1 2314489875 WBGXWLGSMCDBHF-UHFFFAOYSA-N 443.553 6.346 30 10 IKEE CCOc1c(C=Nn2c(SCc3cc(C)ccc3C)nnc2C2CC2)cccc1OC 2320858276 BHNGHKIGLURDOC-UHFFFAOYSA-N 436.581 5.354 30 10 IKEE C=CCSc1nnc(C2CC2)n1N=Cc1cccc(OC)c1OCc1cccc(C)c1 2320867742 ABKQYGQBZVKKDT-UHFFFAOYSA-N 434.565 5.212 30 10 IKEE CCCCCCOc1ccc(C=Nn2c(S)nnc2[C@@H](C)c2ccccc2)cc1OC 2321962037 BYBCKBARADSYIF-SFHVURJKSA-N 438.597 5.569 30 10 IKEE O=C1C(=Cc2ccc(Br)cc2)Oc2c1ccc1c2CN(Cc2ccccc2)CO1 2321978774 SYXNICAUQGGPFQ-UHFFFAOYSA-N 448.316 5.417 30 10 IKEE CCCN(CCC)C(=O)COc1ccccc1C=CC(=O)c1ccc(-c2ccccc2)cc1 2322286937 NBOWVXYVMZYXBI-UHFFFAOYSA-N 441.571 6.277 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCc3cc(C)ccc3C)ccc3ccccc23)cc1C 2322415484 ZAPKZYDNGVDJCC-UHFFFAOYSA-N 436.551 7.249 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccc(F)cc2)cc1 2322607169 ZBTSPTSIGPSBOS-UHFFFAOYSA-N 433.479 5.528 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc1OCc1cccc(C)c1 2323229957 RXAGTQRBVVWFFQ-UHFFFAOYSA-N 444.571 6.785 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc(C)c3C2=O)cc1 2323279627 JKXXREULOFLJQO-UHFFFAOYSA-N 429.428 5.355 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2)cc(Cl)c1OCc1ccccc1 2323569420 WEBBOGUPZQAILP-UHFFFAOYSA-N 436.935 6.531 30 10 IKEE CCCCCCCCN1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S 2323720685 WRSKBOQOEOOMNF-UHFFFAOYSA-N 439.646 6.827 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1F 2323895903 IRTIUGHRIXSBJB-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCc3ccc(F)cc3)c(OCC)c2)cc1 2323934288 OVOWYYIXCLKXGN-UHFFFAOYSA-N 434.507 6.488 30 10 IKEE Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2C)C3=O)c(C)c1 2324331764 YOUNYXNFHYDOBJ-FQEVSTJZSA-N 441.527 5.942 30 10 IKEE COC(=O)COc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1Br 2324345734 LWNQHGWBIKENFB-UHFFFAOYSA-N 431.326 5.131 30 10 IKEE N#C[C@H](C(=O)C=Cc1ccc2c(c1)OCCO2)c1nc(-c2ccc3ccccc3c2)cs1 2324352142 MXUPCTFYFFGHST-OAQYLSRUSA-N 438.508 5.624 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1C 2324630988 DNTAHAKQBJXXBO-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE COc1ccc(OCCCOc2ccc3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)cc1 2324697188 HAVCRVSWPHXEIX-UHFFFAOYSA-N 447.443 5.068 30 10 IKEE N#Cc1ccc(COc2ccc3c(c2)OC(=Cc2ccccc2Br)C3=O)cc1 2324756916 VKVIZTDZASPMIJ-UHFFFAOYSA-N 432.273 5.516 30 10 IKEE CCCC[C@H](Oc1cc(C)c2c(c1)OC(=Cc1ccc(Cl)cc1Cl)C2=O)C(=O)O 2324784561 SNQYTVCLJZKWJQ-KRWDZBQOSA-N 435.303 5.940 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCc4cccc(Oc5ccccc5)c4)c3C)C2=O)cc1 2325351216 SOTCZLHGLPPRRE-UHFFFAOYSA-N 448.518 7.291 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1OC(=O)Cc1ccccc1F 2325724857 NROYUMZAANMKRG-UHFFFAOYSA-N 426.390 5.157 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cccc(OC(=O)c3cccc(Br)c3)c2)c1 2325740435 HAWDFZAQNIAWQP-UHFFFAOYSA-N 435.317 6.181 30 10 IKEE Cc1cc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)c2)ccc1F 2325746327 WFETUQNOPVPFSS-UHFFFAOYSA-N 430.519 6.476 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cc4ccccc4n3C)c2)cc1F 2325748821 CGNQDPOJXDGMGD-UHFFFAOYSA-N 429.447 5.441 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3cc(C)cc(C)c3OC)c2)cc1 2325757469 OVJZLTRMPXTMLD-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C=CC(=O)c3ccc(C)c(C)c3)ccc2OC)cc1 2325759730 VBOASNWIXKRQSD-UHFFFAOYSA-N 430.500 5.826 30 10 IKEE CCC(=O)Oc1cc(C=CC(=O)c2cc(C)c(OC)cc2C)c(Br)cc1OC 2325770765 CXRRJXXEPRZYOD-UHFFFAOYSA-N 447.325 5.295 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1N=Cc1cccc(Cl)c1Cl 2326551430 QEWYEZFLPCUESX-UHFFFAOYSA-N 439.799 6.365 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccc(OC(C)=O)cc1 2326603541 OYPLEBIPOVQRCL-UHFFFAOYSA-N 436.581 5.337 30 10 IKEE CCCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc(CC)cc1 2326615609 WRYSYCLHLSHZRJ-UHFFFAOYSA-N 428.605 6.163 30 10 IKEE Fc1ccc(CSc2nnc(COc3ccccc3Cl)n2N=Cc2ccc[nH]2)cc1 2327620112 IRJPJFXGLNVSLY-UHFFFAOYSA-N 441.919 5.152 30 10 IKEE Cc1cccc(CSc2nnc(COc3c(C)cccc3C)n2N=Cc2ccco2)c1 2328552265 CJMZHWQFLSDQOU-UHFFFAOYSA-N 432.549 5.550 30 10 IKEE Cc1ccccc1C=Nn1c(COc2c(C)cccc2C)nnc1SCc1ccccc1 2328557152 ZDQJPWHGPDUXKL-UHFFFAOYSA-N 442.588 5.957 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)cc2C)n1N=Cc1ccc(C(C)(C)C)cc1 2328897249 UXVOJQHIFMTHSA-UHFFFAOYSA-N 448.636 6.322 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccccc3Cl)n2N=Cc2ccc(F)cc2)c1 2329549854 TZJCHDQJYDIAEI-UHFFFAOYSA-N 436.943 6.221 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3F)n2N=Cc2ccc(O)cc2)c1 2329717206 RGYKGGQHNBYAKE-UHFFFAOYSA-N 432.524 5.197 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2cccs2)n1N=Cc1ccc(C(C)C)cc1 2330330755 ADEGPNXLKHAQEK-UHFFFAOYSA-N 446.645 6.537 30 10 IKEE Cc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCC(=O)Nc2c(C)cccc2C)cc1 2330835342 ZHJOPAALMHSDEO-UHFFFAOYSA-N 449.624 5.405 30 10 IKEE CCCOc1ccc(C=Nn2c(SCCc3ccccc3)nnc2C2CCCC2)cc1 2331077853 ZHBHLVJNOCSRAK-UHFFFAOYSA-N 434.609 5.942 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)cc3)c([N+](=O)[O-])c2)cc1 2331200543 KGIBMRZAQFGAGL-UHFFFAOYSA-N 431.444 5.417 30 10 IKEE CN(C)c1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2-c2ccco2)cc1 2331225470 WLTFJWUNOAUILC-UHFFFAOYSA-N 437.956 5.432 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cc(C)ccc3C)c([N+](=O)[O-])c2)cc1 2331273462 GHXAQFKBHCZVGP-UHFFFAOYSA-N 429.472 5.564 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(C=CC(=O)c2cc(C)ccc2OC)cc1 2331352300 DFRMWEXVAOWNEJ-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)cc(Cl)c1OC(=O)c1cccs1 2331468382 FPRMXQMYJFXJHT-UHFFFAOYSA-N 448.927 6.679 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)Cc1ccc(C)cc1 2331517785 YSGNDWROJMCTRQ-UHFFFAOYSA-N 434.463 5.196 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2Cl)c(C)c1 2331520813 JDXZAWVEWPXUQK-UHFFFAOYSA-N 438.882 5.976 30 10 IKEE O=[N+]([O-])c1cccc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CCC2)c1 2331527514 DJYVSXPMJVYCJV-UHFFFAOYSA-N 427.917 5.282 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)Cc1ccccc1 2331539358 UFXVYRRZZUBVPP-UHFFFAOYSA-N 430.475 5.607 30 10 IKEE COc1cc(C(=O)C=Cc2ccc(OC(=O)C(F)(F)F)c(Cl)c2)c(OC)cc1Cl 2331688872 MIGPQRPWMPLHJP-UHFFFAOYSA-N 449.208 5.374 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)C(C)(C)C)c([N+](=O)[O-])c2)c(OCC)c1 2331735267 ARXVRMQUOCGPDL-UHFFFAOYSA-N 441.480 5.240 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cc(Cl)c(OC(=O)C(C)(C)C)c(OC)c2)cc1C 2331835363 WCQSIPRAFKGHGL-UHFFFAOYSA-N 430.928 5.822 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3cccs3)c(OC)c2)cc1C 2331854693 UOMUHJZHFTXMSN-UHFFFAOYSA-N 436.529 5.426 30 10 IKEE COc1cc(Cl)cc(/C=C2/N=C(SCc3ccc(Cl)cc3)SC2=O)c1OC 2834585 QONSFMBEJYADFS-OVCLIPMQSA-N 440.373 5.914 30 10 IKEE COc1ccc(-c2n[nH]c3c2[C@H](c2ccc(OC)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 9152921 IWUJMPKWRQTWMZ-OAQYLSRUSA-N 429.520 5.295 30 10 IKEE Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(SCc4ccccc4C)nn32)cc1 20850008 UXZRGWIVQOCFRW-HSZRJFAPSA-N 444.604 5.845 30 10 IKEE CC(C)COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccs2)cc1 21239347 USYMIBYSUNDCIL-XHCCPWGMSA-N 444.600 6.762 30 10 IKEE CC(C)Oc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc3ccccc3c2)cc1 21247934 VFLMGPPNCSEHOY-LADGPHEKSA-N 425.528 5.631 30 10 IKEE O=C(c1ccc(F)cc1C(F)(F)F)N1CCC(Cc2ccc(C(F)(F)F)cc2)CC1 22647586 SQZNDZZSKRKQBA-UHFFFAOYSA-N 433.367 5.958 30 10 IKEE CC(C)c1ccc(-c2c(C#N)c(N)nc(S[C@@H](C(=O)O)c3ccccc3)c2C#N)cc1 22868745 GUXGLSFKXLRSDO-OAQYLSRUSA-N 428.517 5.116 30 10 IKEE COc1cc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccc(SC)cc2)ccc1O 33026453 ITOCUDZKPBQEBU-WAIKUNEKSA-N 448.544 5.377 30 10 IKEE C=CCc1cc(/C=C2\SC(=S)N=C2O)cc(OC)c1OCCOc1ccc(C)cc1 33396971 XADZBCZPFGOPKH-ZHZULCJRSA-N 441.574 5.519 30 10 IKEE Cc1ccc(C)c(COc2ccc3c(c2)O/C(=C\c2ccc(Cl)c(Cl)c2)C3=O)c1 33612547 LJBZSJDVKPHLIE-KSEXSDGBSA-N 425.311 6.805 30 10 IKEE O=C(/C=C/c1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1 34954139 UEWBKIHQFPLXAN-JFMUQQRKSA-N 430.503 6.869 30 10 IKEE CCOc1ccc2c(c1)O/C(=C\c1ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc1)C2=O 39856411 LULFBZDLVYTAOI-XYGWBWBKSA-N 442.511 6.218 30 10 IKEE Cc1cc(OCC(=O)Nc2sc(=S)c3c(c2C#N)CC[C@@H](C)C3)cc(C)c1Cl 41014242 NIKYFCNLTUWTDV-LLVKDONJSA-N 432.998 5.762 30 10 IKEE Oc1ccccc1/C=N/c1cc(C(F)(F)F)ccc1Oc1ccc(Cl)c(Cl)c1 59516490 KDUPLRKSZKJPML-KBKYJPHKSA-N 426.221 7.261 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(CN4CCC(C)CC4)c(O)cc(C)c3C2=O)cc1 62957643 SOLDLMJLSOSJMV-JLPGSUDCSA-N 434.580 5.395 30 10 IKEE CCCCCCCOc1ccc(NC(=O)CNc2ccc(C(=O)N3CCCC3)cc2)cc1 100098397 PSCHQJKNXMACSX-UHFFFAOYSA-N 437.584 5.322 30 10 IKEE CCCCCCCOc1ccc(NC(=S)NC(=O)c2cccc(OCCCC)c2)cc1 100165339 QAOHCMANUKINSP-UHFFFAOYSA-N 442.625 6.342 30 10 IKEE CCCCCCCCCn1c(CCNC(=O)c2ccc(Cl)cc2)nc2ccccc21 102140111 SIIQGAZUPPORHC-UHFFFAOYSA-N 426.004 6.413 30 10 IKEE O=C(/C=C\c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 102720293 ZYWLIPCLIKKAIW-HULUKOKISA-N 437.278 6.228 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccc(OC)cc2)cc1 169924739 ZSXZDBWRAAEIIY-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CCCN1C(=S)N[C@@H](c2cccc(OCc3cc(C)ccc3C)c2)C2=C1CCCC2=O 169929916 RQPXXTSFVUZPLB-VWLOTQADSA-N 434.605 5.531 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)CCc2ccccc2)=C(O)C(=O)N1c1cccc(C)c1 169941927 RQKPULXYEZBZBX-RUZDIDTESA-N 427.500 5.106 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccc(O)cc2)c1 169958154 PMTNTXFXHIHENB-XMMPIXPASA-N 443.499 5.307 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccc(F)cc2F)c1 169971254 BWHCMZPBZHUABW-QHCPKHFHSA-N 433.454 5.673 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@H]1c1ccncc1)c1cc2ccccc2o1 170018267 BZTYQTMSLZAMCS-NRFANRHFSA-N 448.837 5.403 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@H]1c1cccc(OC(C)C)c1 170153573 GMFXFLDMXRDQOH-OAQYLSRUSA-N 443.927 5.124 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccs2)cc1C 170156760 ZQWOYWQDURWCBP-QFIPXVFZSA-N 433.529 5.465 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2cccs2)cc1 170159744 QJDUVMQBOUULGZ-JOCHJYFZSA-N 431.513 5.164 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccc2F)cc1C 170249854 RZHMFYTTYGJTHK-XMMPIXPASA-N 445.490 5.542 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2ccc(C)o2)c1 170304391 BPOPRTMOGAETJA-QHCPKHFHSA-N 447.487 5.174 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2sccc2C)ccc1OC(C)C 170314994 INXTXOFHGXDJTO-JOCHJYFZSA-N 447.556 5.935 30 10 IKEE CSc1nnc(-c2ccccc2)n1N=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 252640749 YWTTXIPPIQOKRK-UHFFFAOYSA-N 428.439 5.828 30 10 IKEE CN(C)c1ccc(/C=C/C=N/N=C2\CC[C@@H]3[C@H]4CC[C@@H]5CCCC[C@]5(C)[C@@H]4CC[C@]23C)cc1 253534357 KJCIEPRMJJUJPF-MYAQGCKTSA-N 445.695 7.625 30 10 IKEE O=C(COc1ccc(C=Nc2ccc(Oc3ccccc3)cc2)cc1)NCc1ccccc1 254573555 SOMWYUVJROUZRS-UHFFFAOYSA-N 436.511 5.925 30 10 IKEE COc1cccc(/C=N/C[C@]2(O)CC[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]32C)c1O 504255766 PFLCXOYUUHWAGR-RDCUPTMASA-N 439.640 5.984 30 10 IKEE CC(C)COc1cccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)c1 526522268 QJRNCZSHASEATQ-VWLOTQADSA-N 442.490 5.789 30 10 IKEE CCCc1nnc(SCc2ccccc2)n1/N=C\c1cc(Cl)c(OCC)c(Cl)c1 526800158 OEZBFKZNORLDOO-CFRMEGHHSA-N 449.407 6.111 30 10 IKEE Cc1ccsc1/C=N\n1c(CCc2ccccc2)nnc1SCc1ccc(F)cc1 526802732 LKNTYHJEPFDDSW-MYYYXRDXSA-N 436.581 5.747 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1cccc(OC)c1OCC 526808973 SVTSESGQOZVRSX-XYGWBWBKSA-N 438.597 5.511 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2cccc(F)c2)c(C)c1 526812358 QGMHWDAJBADIGK-YUMHPJSZSA-N 430.552 5.799 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@H](NC(=O)/C=C/c3ccc(C)cc3)C2)c1 586023884 WUEGUPQFKYAXMT-DACFSCGWSA-N 445.607 5.267 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@H](C#N)c1ccc(Br)c(Cl)c1 698948285 XAVIQRXAOLLISR-CQSZACIVSA-N 428.718 5.605 30 10 IKEE Cc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)c(C)c1Br 719633851 OUGYVQMIKWLUPU-GOSISDBHSA-N 433.321 6.211 30 10 IKEE CCCCCCCCOc1ccc(C(=O)O)c(-c2cc(Cl)c(Cl)cc2Cl)c1 888084995 BWQSENZZARPRCC-UHFFFAOYSA-N 429.771 7.751 30 10 IKEE CN(Cc1ccccc1)S(=O)(=O)c1ccc(N=Cc2cccc(Cl)c2Cl)cc1 1083954522 AMOYGOFHAQUAGW-UHFFFAOYSA-N 433.360 5.565 30 10 IKEE O=[N+]([O-])c1ccc(C=Nc2ccc(Cc3ccc(N=Cc4ccc([N+](=O)[O-])o4)cc3)cc2)o1 1084435564 ZTLWPJQIKYBZIP-UHFFFAOYSA-N 444.403 5.781 30 10 IKEE CCOC(=O)C(=NNc1ccccc1OC)Sc1nc2ccccc2n1-c1ccccc1 1084472212 DFSSVJPFQBRRPH-UHFFFAOYSA-N 446.532 5.115 30 10 IKEE CC[C@H](C(=O)ON=C(C(=O)c1c(C)c(C)c(C)c(C)c1C)c1ccccc1)c1ccccc1 1088697462 LRPZETAGRFRQPD-VWLOTQADSA-N 441.571 6.553 30 10 IKEE C=C1CC[C@@H]2[C@@](C)(CCC[C@@]2(C)C(=O)OC)[C@@H]1CCc1ccoc1CNC1CCCCC1 1565535275 UOIHMGVGVVIAEA-HWGYZFRUSA-N 441.656 6.586 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)S/C1=N/c1ccc(C(=O)O)cc1 1614234380 LNCHSBFATSQWQB-MDRWVBAWSA-N 433.316 5.482 30 10 IKEE C[C@H]1C/C(=N/c2ccc(C(C)(C)C)cc2)c2cc(F)ccc2N1C(=O)c1ccc(F)cc1 1615949666 OUNTWIXPNOWGOJ-ODBSEERQSA-N 432.514 6.822 30 10 IKEE CN1C(=O)/C(=C\c2ccccc2OCc2ccccc2Cl)SC1=Nc1nccs1 1772733690 AWIFUTQWMIHOHE-WEHZRUJJSA-N 441.965 5.609 30 10 IKEE N#Cc1ccc(COc2cccnc2NC(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 1858866777 XHZHONUKTIOCJS-UHFFFAOYSA-N 435.487 5.162 30 10 IKEE C[C@@H]1C[C@@H](C)CN(C(=O)Oc2cccc3c(NC(=O)c4cccc(C#N)c4)cccc23)C1 1858954410 MCHHRRHPFXUTKR-QZTJIDSGSA-N 427.504 5.440 30 10 IKEE COc1ccc(OCCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1 1859650544 UUTRHYOMCQRUOC-UHFFFAOYSA-N 438.483 5.901 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC(C)C)NC(=O)/C=C/c1ccc(OC)cc1 1861078808 REXWAHCIKKGKFP-UFIOJNINSA-N 430.633 5.496 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CCC(C)C)cc1 1862379672 HYIDMLSESBFPGY-FQEVSTJZSA-N 432.347 5.926 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc(OCCC)cc2)cc1 1862396330 DMCBEJZDONCOHH-RUZDIDTESA-N 449.591 6.052 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1cc(Cl)cc(Cl)c1 1862416638 QUVFUYBNNZCERZ-MGNBDDOMSA-N 440.273 5.648 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccccc2Cl)=C(O)C(=O)N1CCc1cccs1 1862429619 QRJWGTZXVHZIHX-OAQYLSRUSA-N 437.948 5.531 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862431157 AUGKRNLTPVQNBF-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2ccccc2Cl)cc1 1862477670 ZZZFZRDGSVGRNG-DEOSSOPVSA-N 445.946 5.860 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccc(O)c(O)c2)cc1 1862535809 KUEXBPNPVQZYED-XMMPIXPASA-N 449.547 5.351 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(F)cc1F 1862546395 WXXCHECFJQQGPQ-JLCFBVMHSA-N 425.475 5.220 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccc2cc[nH]c2c1)c1cccc(O)c1 1862595774 PSPUOIPZTYTBLC-HSZRJFAPSA-N 430.504 5.175 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccccc1Cl 1862661810 SGMGGYCPLHCGQG-JOCHJYFZSA-N 425.956 6.232 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccccc2Cl)c1 1862674590 PQWLUNUWQRKXKS-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc(F)cc2F)cc1 1862691835 WTOVQSPIRMGIDM-OTPBECDQSA-N 441.474 5.130 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc(F)c1 1862715928 UJACBDMJHHYOPB-WQWSHVPRSA-N 443.518 6.136 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(F)c(C)c3)C2=O)c1 1863084385 LMLBVBSQGADPKA-UHFFFAOYSA-N 425.463 5.019 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2Sc2ccccc2)=C(c2cc(C)ccc2C)C1=O 1863400697 RRHMJSRKQCSWQL-UHFFFAOYSA-N 440.568 5.833 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2F)C(=O)N(Cc2cccs2)C1=O 1863641434 ZBMHNTUHTIABLR-UHFFFAOYSA-N 442.600 5.898 30 10 IKEE CCCC[C@@H](NC(=O)C[C@@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)Nc1ccccc1C#N 1866775116 KPGOOZCKNPXCBZ-ISKFKSNPSA-N 449.595 5.319 30 10 IKEE Cc1ccccc1-c1nc(Nc2cccc(C#N)c2)cc(N2CCO[C@H](c3ccncc3)C2)n1 1868292555 DWNURHADDFYEQN-DEOSSOPVSA-N 448.530 5.040 30 10 IKEE CCCCCCCCn1cc(OCCOc2ccccc2)c(=O)cc1CSC(C)(C)C 1870161826 UZUSZNCPFPEVMM-UHFFFAOYSA-N 445.669 6.698 30 10 IKEE Cc1cccc(Cn2cc(OCc3ccc(C#N)cc3)c(=O)cc2CSC(C)(C)C)c1 1870233494 RWNPVHXVSWLNLW-UHFFFAOYSA-N 432.589 5.687 30 10 IKEE CCCCCCCOc1cn(CCCCc2ccccc2)c(CN2CCCCC2)cc1=O 1870412965 PPXKYRSJAKMKBD-UHFFFAOYSA-N 438.656 6.206 30 10 IKEE CCCCCCCOc1cn(CCCOC)c(CNc2ccc(C(C)C)cc2)cc1=O 1870830461 PUPJNCYNQQBPGD-UHFFFAOYSA-N 428.617 5.970 30 10 IKEE CCCCCCCOc1cn(Cc2ccncc2)c(CNc2ccc(C)c(C)c2)cc1=O 1870835739 GWXBHIXZUITUAW-UHFFFAOYSA-N 433.596 5.870 30 10 IKEE C=CCn1cc(OCCOc2ccc(C(C)(C)C)cc2)c(=O)cc1CNc1ccccc1C 1871039976 ZGPDEZXRPMIDPO-UHFFFAOYSA-N 446.591 5.710 30 10 IKEE CCCCCCCCCCn1cc(OCC(N)=O)c(=O)cc1CNc1cc(C)cc(C)c1 1871118282 IRPYFAXSDFDECQ-UHFFFAOYSA-N 441.616 5.082 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(Cl)cc1)C3=O)CN(CCOc1ccccc1)CO2 1871352443 JMPWZHMXMGFSML-QRVIBDJDSA-N 447.918 5.496 30 10 IKEE CCc1ccc([C@@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2ccccc2OC)C4=O)cc1 1871354129 IAGJTHBISOCEED-WTTSBOSASA-N 441.527 5.787 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1cn(C)c4ccccc14)C3=O)CN([C@@H]1CCCC[C@H]1C)CO2 1871355979 OYGWPVUWZAHSAU-YCYJCDMISA-N 442.559 5.834 30 10 IKEE CCc1ccc([C@H](C)N2COc3c(cc4c(c3C)O/C(=C\c3ccccc3F)C4=O)C2)cc1 1871359929 KXRFPOBFZIWIDA-BDFPJNNISA-N 443.518 6.226 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc(F)c(F)c3F)ccc2C1=O 1871370262 HRHZZVAEQPJQNL-JAIQZWGSSA-N 440.373 5.338 30 10 IKEE CCn1cc(/C=C2\Oc3c(ccc(OC(=O)C=C(C)C)c3C)C2=O)c2cc(OC)ccc21 1871384683 DTDLVFMUHFSDPI-FMCGGJTJSA-N 431.488 5.466 30 10 IKEE C[C@H]1C[C@@H](C)CN(Cc2c(O)ccc3c2O/C(=C\c2ccc(-c4ccccc4)cc2)C3=O)C1 1871396405 DEHKROJBJUEZOO-LGMSUNJDSA-N 439.555 6.153 30 10 IKEE COc1ccc(C)cc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccccc1C)C2=O 1871428428 AMSHXDCRLITWNZ-OYKKKHCWSA-N 443.499 5.254 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O 1871433006 JNBXDAUUPKQNHY-FYYJVHHASA-N 426.484 5.723 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccc(F)c(F)c3)cc(C)c2C1=O 1871443002 JJEZEAGZNQZOHL-YVNNLAQVSA-N 435.426 5.215 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc(Cl)c4)cc(C)c3C2=O)cc1 1871455153 CQDWKZOGEVFJPI-FMCGGJTJSA-N 447.918 5.845 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccccc1Cl)C2=O 1871459649 WAQCCHYHCBWRNA-UCQKPKSFSA-N 447.918 5.845 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cc(Cl)ccc1C)c1ccccc1)S(=O)(=O)CCCC 1872459190 JIFNKOLHHHPDIO-JOCHJYFZSA-N 449.016 5.336 30 10 IKEE N#C[C@@H](C(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872760725 WQUNXBNPHVDTSA-MAIVGLDJSA-N 429.501 5.487 30 10 IKEE N#C[C@H](C(=O)Cc1ccc(Br)cc1)c1nc(-c2ccccc2Cl)cs1 1872764768 XNMAMJWSSBRBCD-OAHLLOKOSA-N 431.742 5.645 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)COc2ccc(Cl)cc2)n1 1872785067 DQMLEQBLPSZFOF-HXUWFJFHSA-N 438.980 6.325 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc(COc2cccc(C(F)(F)F)c2)cc1 1872865743 NESYOZFYQGBTFP-UHFFFAOYSA-N 435.530 7.155 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@H]2CCCC[C@H]2C)=C(c2ccccc2F)C1=O 1873031154 OFNVCUKGPNRPGW-OFNKIYASSA-N 442.619 6.215 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H]2CCCC[C@H]2C)=C(c2cc(F)cc(F)c2)C1=O 1873113877 FXIKXNKSRKPUHG-DYESRHJHSA-N 432.555 5.574 30 10 IKEE CCCCCCCCCCNC1=C(c2cccs2)C(=O)N([C@H]2CCCC[C@H]2C)C1=O 1873155910 MGLCOMNJTMCVPC-UXHICEINSA-N 430.658 6.137 30 10 IKEE C=CCNC(=O)c1c(NC(=O)[C@H](Cc2ccccc2)c2ccccc2)sc2c1CCCC2 1873442035 CNGLWAXCPHCSQG-JOCHJYFZSA-N 444.600 5.508 30 10 IKEE CCOc1cc(/C=N/n2c(S)nnc2C(C)C)ccc1OCc1ccccc1Cl 1873500740 BBGXSLUVKOABGQ-FSJBWODESA-N 430.961 5.204 30 10 IKEE Cc1cccc(CN2CC(=O)C(c3nc(-c4ccccc4)c(-c4ccccc4)s3)=C2N)c1 1873528372 VBPCFZIGLBVGMK-UHFFFAOYSA-N 437.568 5.498 30 10 IKEE O=c1c(Cl)c(N/N=C/c2cccc3ccccc23)cnn1-c1ccc(Cl)c(Cl)c1 1873528742 GFSQAFHGSXNZLB-OPEKNORGSA-N 443.721 5.792 30 10 IKEE C=CCn1c(C(=O)Nc2cc(C)ccc2C)cc2c(N3CCc4ccccc4C3)ncnc21 1873674394 PPRCKMHLYLEGMW-UHFFFAOYSA-N 437.547 5.049 30 10 IKEE Cc1cc(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccncc2)ccc1Cl 1874230279 BTVBXMIJKKLMRU-VULFUBBASA-N 449.967 5.388 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccc(CC)cc1 1874231106 RYDLSFPORIQGNZ-ZVHZXABRSA-N 428.989 5.766 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CCc3ccccc3Cl)nnc2SC)cc1 1874275690 CQBAPSMFGFAWBZ-LFVJCYFKSA-N 428.989 5.500 30 10 IKEE CCc1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SCc2ccc(C)cc2)cc1 1874373517 SRUGLXWRDWHITO-OGLMXYFKSA-N 444.579 6.053 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCc3cccc(F)c3)nnc2[C@H](C)c2ccccc2)c1 1874394171 ZYQKDCKZRUIILL-UBXTYJAUSA-N 446.551 5.758 30 10 IKEE COc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccccc2C)cc1 1874406056 DDTGAWOWWRMLHX-YZSQISJMSA-N 434.609 5.892 30 10 IKEE Oc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccccc2Cl)cc1 1874408334 QUMIOQMYVASSJO-MFKUBSTISA-N 441.000 5.934 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccccc2)n1/N=C/c1cc(Cl)ccc1O 1874416518 UHNLXCMUZMZKBL-CVKSISIWSA-N 448.979 5.711 30 10 IKEE Cc1cccc(CSc2nnc(-c3cccs3)n2/N=C/c2c[nH]c3ccccc23)c1 1874422178 YURYMOSWFKAKIB-AFUMVMLFSA-N 429.574 5.971 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccccc3F)nnc2-c2ccccc2)cc1OC 1874428625 RZWIMPSLONMHKL-CVKSISIWSA-N 448.523 5.276 30 10 IKEE CCOc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2cccc(Cl)c2)c1 1874440547 HCMSZLBGFWLPNK-MFKUBSTISA-N 443.016 6.093 30 10 IKEE CCCSc1nnc(-c2ccco2)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874467831 DTQPQKSDNQUJDP-LFVJCYFKSA-N 432.505 5.142 30 10 IKEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2C(C)(C)C)c1 1874484022 ZZSXSNPQGOJNIV-AFUMVMLFSA-N 435.597 5.114 30 10 IKEE CC(C)Cc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874491103 ZRBOWOIAFHNHCQ-MFKUBSTISA-N 445.548 5.713 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1cc(Br)ccc1F 1874504559 SRYRVPPTYIXNPI-FSJBWODESA-N 447.377 5.615 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(C(C)(C)C)cc1 1874509816 WOIPHTLRZOMGON-VULFUBBASA-N 445.007 6.495 30 10 IKEE COC(=O)c1ccc(CSc2nnc(C(C)C)n2/N=C/c2ccc(C(C)C)cc2)o1 1874513091 GZCQFBWGGPNBCP-FSJBWODESA-N 426.542 5.079 30 10 IKEE CCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1/N=C/c1ccc(C(C)C)cc1 1874525537 SBEHXUCOSMZHNZ-AFUMVMLFSA-N 435.597 5.194 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2nc(O)c3ccccc3n2)c1 1874572674 ZMMURBBQQRLBML-PKNBQFBNSA-N 446.890 5.473 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2c(C)cccc2C)cc1 1874575875 LHDIMIHRSINSEG-UKTHLTGXSA-N 449.934 5.879 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccccc2)c1OCC(=O)Nc1cccc(C)c1 1874578530 SBZUISBZGYRMFN-VAWYXSNFSA-N 435.907 5.571 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)c1 1874580816 HRFZUZXWOSZOSW-BUHFOSPRSA-N 442.486 6.471 30 10 IKEE Cc1ccccc1COc1ccc(Br)cc1/C=C/C(=O)c1ccc(C(C)C)cc1 1874583242 DBVJLLBDHNSJGT-WYMLVPIESA-N 449.388 7.356 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OCc3c(F)cccc3Cl)c2)c1 1874597183 YLYWQAGEJLHSDR-PKNBQFBNSA-N 426.871 5.971 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cccc(OCC(=O)NCc2ccccc2)c1 1874600560 SDFUJKHZBODOPH-VAWYXSNFSA-N 449.934 5.248 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1 1874608416 NFRVEPINOTXGPY-KPKJPENVSA-N 443.326 6.486 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1cc(C)ccc1C 1874610619 BPFIPJSPJNSLBH-KPKJPENVSA-N 447.487 5.704 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)c1OCC(=O)OCC(C)C 1874615245 NXDXRCTWCQZFBV-VQHVLOKHSA-N 430.928 5.440 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1Cl)Nc1ccccc1 1874625890 BRFWGJDBFIMYOB-UXBLZVDNSA-N 427.834 5.532 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OCc3ccccc3Cl)c([N+](=O)[O-])c2)c(C)c1 1874635739 WSXGCBWMIIHYAK-CSKARUKUSA-N 435.907 6.649 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OC(=O)[C@H]1C[C@@H]1c1ccccc1Cl 1874703123 ZTEXAEFSCBDZCO-XDDVZZINSA-N 446.930 6.262 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(OC)cc3)c2)c(OCC)c1 1874714971 WYAMONUSJNLPQM-CXUHLZMHSA-N 446.499 5.608 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(OC)cc2)CSc2nnc(CCCC)n21 1874895157 DCIARDCGPDZKJN-NRFANRHFSA-N 444.645 5.692 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(Cl)c1OC(=O)c1cccnc1 1875096974 NWEMHGAWTJKIGI-DHZHZOJOSA-N 447.918 5.738 30 10 IKEE O=C(Cc1ccc(Cl)cc1)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1Cl 1875125797 BGYNBADGOMKAJC-QDEBKDIKSA-N 445.729 6.691 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3c(C)ccc(C)c3C)c(Cl)c2)cc1 1875133300 OGHBEAGOTFJNMK-UKTHLTGXSA-N 448.946 6.454 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3cccnc3)c(OC)c2)cc1 1875137618 VYYBFSBZMKSPTH-KPKJPENVSA-N 447.487 5.003 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccco2)c(Br)c1 1875143385 WWKFNGQTRRHZSJ-SOFGYWHQSA-N 441.277 5.474 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC(=O)CCOC 1875149364 MLXDZFXOSOFTMA-NTEUORMPSA-N 436.548 5.559 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)ccc1OC(=O)c1sccc1C 1875152116 NLJJOTJIOAGXNP-VMPITWQZSA-N 440.492 5.718 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3C)c(Cl)c2)cc1C 1875175465 QNPDXGPDKYVLQB-UKTHLTGXSA-N 432.947 6.700 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)c1cccc(C)c1 1875190720 NGVUWFTZTBYXAB-UXBLZVDNSA-N 441.310 6.426 30 10 IKEE C=C(CC)C[C@@H](NCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875653307 YLETWRIVPLHTGC-GGXMVOPNSA-N 445.603 6.212 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@]1(C#N)C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 1909321098 IRLAGTGWLGGESW-KXWAPTNCSA-N 438.593 5.763 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@H](C#N)c1ccc(Cl)c(Br)c1F 1912153290 FVDPDPAFAPUCLI-GFCCVEGCSA-N 446.708 5.744 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)OC(C)(C)C 1922059875 KVYYGMHJIUZNDX-ROHNOIKCSA-N 442.644 5.696 30 10 IKEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 1944890142 GNVOUHYXHFKNCX-KOSHJBKYSA-N 429.561 5.357 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@@]2(C)CCN2C(=O)OC(C)(C)C)cc1 1999897061 LNEBCUCVOZIYFY-DNQXCXABSA-N 429.561 5.418 30 10 IKEE CC(C)(C#N)CCCNc1cc(Br)c(Br)c(Br)c1 2034338510 HGBSNQJIQCVDNQ-UHFFFAOYSA-N 438.989 5.716 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)C2(C#N)[C@H]3CC[C@H]2CN(Cc2ccccc2)C3)c1 2037936381 PNQCXMMZLIZVOT-GOTSBHOMSA-N 431.580 5.541 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2CC(C#N)(N(C(=O)OC(C)(C)C)c3cccc(F)c3)C[C@@H]2C1 2040987241 APQPKSBJHORXQE-IAGOWNOFSA-N 445.535 5.106 30 10 IKEE CCCCCC=CCC=CCCCCCCCC(=O)OCCCCCCCCCCCC 2040989695 YEVRRNZSZWIYCX-UHFFFAOYSA-N 448.776 10.264 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Br)c(Cl)c1 2041574734 NEDSBHUVAMMKQD-DLBZAZTESA-N 431.802 5.613 30 10 IKEE CCC#CC[C@H](NC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071347051 VMIKWMYSKRVNMT-LSYYVWMOSA-N 429.560 5.270 30 10 IKEE CC#CCCC[C@@H](N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2073675663 GVKCBNXNFMOTKG-LEAFIULHSA-N 429.560 5.399 30 10 IKEE COc1c2c(nc3c(-c4cc(F)cc(C(F)(F)F)c4)c(C(F)(F)F)nn13)CSC2 2081422857 RMAMWENYAQNMGI-UHFFFAOYSA-N 437.340 5.328 30 10 IKEE C=CCCCCCC[C@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 2085841767 KMUPPIYXEQPZGC-RPBOFIJWSA-N 446.676 6.381 30 10 IKEE C=CCCCCCCCCC[C@H](N)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2086263164 DWAPZJVCKVCBCM-VWLOTQADSA-N 445.692 6.038 30 10 IKEE C=CCN(CC[C@H](Cc1ccc(Br)cc1)NCCC)C(=O)OC(C)(C)C 2099287119 GPYRYUMLJJYYPW-LJQANCHMSA-N 425.411 5.173 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)ccc(F)c1Br 2145542522 ARMYKUIGXLYYSF-QAPCUYQASA-N 445.348 5.075 30 10 IKEE CCCCCCCCCC(=O)[C@@H](O)c1scc(Br)c1Br 2150562219 JNOKKDSQIJVZOX-CQSZACIVSA-N 426.214 6.016 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1cnn(C(F)(F)F)c1 2175133490 GOGLTOMITMBWGI-AWEZNQCLSA-N 445.239 5.128 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C=CC(=O)c2cc(Cl)c(Cl)cc2Cl)cc1 2201294947 VGINDIKOTPIVNN-UHFFFAOYSA-N 426.727 6.890 30 10 IKEE N#Cc1ccc(Nc2cc(Br)c(Br)cc2N)c(Br)c1 2225694449 VFMMSAQCGIKYQY-UHFFFAOYSA-N 445.940 5.172 30 10 IKEE CC(C)(C)OC(=O)NCC1(C[C@@H](O)C#Cc2ccccc2Br)CCCCC1 2235739291 HBLSNRGAFRZXRU-SFHVURJKSA-N 436.390 5.027 30 10 IKEE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)C(=O)C1=CCC(F)(F)CC1 2237423004 FBJUATKWXJKIOW-MRXNPFEDSA-N 444.316 5.200 30 10 IKEE C=CCCC1([C@@H](NCC)c2ccc(Br)c(C)c2)CN(C(=O)OC(C)(C)C)C1 2281049682 BYRGZIBSMRTTIO-IBGZPJMESA-N 437.422 5.611 30 10 IKEE CN(C(=O)OC(C)(C)C)[C@@H](CNc1c(Br)cccc1C#N)c1ccccc1 2285238130 ORCQCTNGHXJJAB-SFHVURJKSA-N 430.346 5.341 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](Nc2c(Br)cccc2C#N)C[C@@H]1C(F)(F)F 2285241799 SLYWFFDQFCKZGR-GXTWGEPZSA-N 448.283 5.063 30 10 IKEE CCCN[C@H](C#CC1CCCC1)c1cc(Br)ccc1I 2289787258 QLOJLAMUKDDVMG-QGZVFWFLSA-N 446.170 5.288 30 10 IKEE CC[C@H]1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)C#Cc2cccc(Br)c2)CC1 2296231611 GCTWBWRCTJHYNC-CIEDQVTBSA-N 434.374 5.233 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)c1sc(Cl)cc1Br 2296276665 KLMMNYVZWUYZIG-CYBMUJFWSA-N 433.596 5.629 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H](CC(C)C)NC(=O)OC(C)(C)C 2296290992 JRCAOTTVECQGSJ-WOJBJXKFSA-N 437.422 5.108 30 10 IKEE O=C1C(=Cc2cc(Cl)cc3c2OCOC3)Oc2cc(OCc3ccc(F)cc3)ccc21 2296589855 MRFTVKPEYRPCTH-UHFFFAOYSA-N 438.838 5.541 30 10 IKEE Cc1cc(C=C2CCC(=Cc3cc(C)n(-c4ccccc4)c3C)C2=O)c(C)n1-c1ccccc1 2297334228 RPBOEZYGGFKWQO-UHFFFAOYSA-N 446.594 7.332 30 10 IKEE Cc1ccc(N=C2SC(=Cc3ccc(C(C)C)cc3)C(=O)N2c2ccc(C)cc2)cc1 2297455931 XYYLBIODGXJWHQ-UHFFFAOYSA-N 426.585 7.235 30 10 IKEE CCCCCOc1ccc(C(=O)Oc2ccc(C=CC=CC=NN3CCCCC3)cc2)cc1 2297532441 YVUPLOJJQTYWCI-UHFFFAOYSA-N 446.591 6.516 30 10 IKEE O=C(Oc1ccc(C=Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)cc1)c1ccco1 2297708539 SCXIQYFNSGAGAY-UHFFFAOYSA-N 442.858 6.711 30 10 IKEE O=C(C=Cc1ccc(Cl)cc1)c1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1 2313532885 FGDRDOVQDLOUHA-UHFFFAOYSA-N 437.882 6.190 30 10 IKEE CCCCCCCCCCCCCCCCNC(=S)NC(=O)C=Cc1cccs1 2313620097 NYHQQJOHIGEKQC-UHFFFAOYSA-N 436.731 7.233 30 10 IKEE O=C1N=C(NN=Cc2ccccc2)SC1=Cc1ccc(-c2c(Cl)cccc2Cl)o1 2314482626 QDGWGRLMLCFNSK-UHFFFAOYSA-N 442.327 5.847 30 10 IKEE O=C1C(=Cc2ccc(Br)o2)SC(=Nc2ccccn2)N1C1CCCCC1 2314542884 ZULHQBVKOFZLSM-UHFFFAOYSA-N 432.343 5.374 30 10 IKEE Cc1c(OCc2cccc(Cl)c2)ccc2c1OC(=Cc1c(Cl)cccc1Cl)C2=O 2321766615 HLBMIVJRTBFDFM-UHFFFAOYSA-N 445.729 7.150 30 10 IKEE Cc1cc(OCc2ccc([N+](=O)[O-])cc2)cc2c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O2 2321853832 UCAZYEYHQWPXJP-UHFFFAOYSA-N 443.499 6.396 30 10 IKEE C=Cc1ccc(COc2ccc3c(c2C)OC(=Cc2ccc(OC)c(OC)c2)C3=O)cc1 2321863185 PZJAZZFTXOMFQG-UHFFFAOYSA-N 428.484 5.850 30 10 IKEE CCCCCOc1ccccc1C=Nn1c(S)nnc1CCCOc1ccccc1C 2322170884 YNEKNJGMECTOLX-UHFFFAOYSA-N 438.597 5.338 30 10 IKEE CCc1ccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3ccccc3F)C4)C2=O)cc1 2322350415 JQOOEGIGYSWTEK-UHFFFAOYSA-N 429.491 5.665 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(Cl)cc2C=CC(=O)c2ccc(F)cc2)cc1 2322748598 GWLIFBFQCNYNIF-UHFFFAOYSA-N 437.898 5.955 30 10 IKEE CCn1cc(C=C2Oc3cc(OC(=O)C4CCC4)cc(C)c3C2=O)c2cc(OC)ccc21 2322825068 HVGIVYABUOMLPB-UHFFFAOYSA-N 431.488 5.300 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(OC(=O)Cc4ccc(Cl)cc4)c3C)C2=O)cc1 2322900953 GYBLBEPOTWRGMF-UHFFFAOYSA-N 448.902 5.811 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)c(C)c1C 2323247956 ISFWDBMVYIBZDH-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE CCOC(=O)c1ccc(COc2cccc(C=CC(=O)c3cc(C)cc(C)c3OC)c2)o1 2323260294 QHFRZZCKZLIHCD-UHFFFAOYSA-N 434.488 5.557 30 10 IKEE COc1cc(C=NNc2nc3ccccc3[nH]2)ccc1OCc1ccc(Cl)c(Cl)c1 2323303896 YIJNOCYEMQWNBD-UHFFFAOYSA-N 441.318 5.903 30 10 IKEE O=C(C=Cc1cccc(OCc2c(F)cccc2Cl)c1)c1cc(Cl)ccc1Cl 2323327578 ZEOPVUUSJGKRMH-UHFFFAOYSA-N 435.709 7.261 30 10 IKEE COc1c(Br)cc(C=CC(=O)c2ccc3ccccc3c2)cc1Br 2323396238 MJLGSTNGCURPFY-UHFFFAOYSA-N 446.138 6.270 30 10 IKEE Cc1cc(OC(=O)C=Cc2cccs2)cc2c1C(=O)C(=Cc1ccc(C(C)C)cc1)O2 2323530601 QBBLQMYFWDSQMU-UHFFFAOYSA-N 430.525 6.415 30 10 IKEE Cc1cc(OC(=O)c2cccc(OC(C)C)c2)cc2c1C(=O)C(=Cc1ccccc1Cl)O2 2323808886 OJKJFDSWLBHJFK-UHFFFAOYSA-N 448.902 6.271 30 10 IKEE CCOc1cc(C=NNc2nc(-c3c(C)cc(C)cc3C)cs2)cc(Cl)c1OC 2323865530 PESFPFTWDMKHRV-UHFFFAOYSA-N 429.973 6.242 30 10 IKEE CC(C)(C)c1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 2324339126 FYYDDYCKNSPESP-HXUWFJFHSA-N 431.517 5.905 30 10 IKEE CC(C)(C)c1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 2324356605 AAYDATZPZKBURT-DEOSSOPVSA-N 440.612 6.876 30 10 IKEE CCOc1c(Br)cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc1OC 2324521275 COAUGEUXYQIGCG-UHFFFAOYSA-N 439.733 5.723 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1C 2324627975 IQIZBYPOQAPULW-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE Cc1cc(OCC(=O)Nc2ccccc2C(F)(F)F)cc2c1C(=O)C(=Cc1ccco1)O2 2325706223 VHAYSXWWZZQWJK-UHFFFAOYSA-N 443.377 5.241 30 10 IKEE COc1cccc(C(=O)C=Cc2cccc(OC(=O)c3ccc4nc(C)c(C)nc4c3)c2)c1 2325707701 XGWYZHJDRBEBTD-UHFFFAOYSA-N 438.483 5.371 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)COc3ccccc3)c2)cc1 2325710603 ZVIIRRXIYNFIST-UHFFFAOYSA-N 444.527 5.918 30 10 IKEE COc1ccccc1C(=O)C=Cc1cccc(OC(=O)c2ccc3nc(C)c(C)nc3c2)c1 2325724352 OFZIQPRBVYJHGF-UHFFFAOYSA-N 438.483 5.371 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCC(=O)Nc3cccc(C)c3)cc(C)c2C1=O 2325727485 JZLPYLOIAWPYRC-UHFFFAOYSA-N 443.499 5.336 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1OC(=O)COCc1ccccc1 2325727749 FUCOMEIZOGNCJN-UHFFFAOYSA-N 436.891 5.367 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccccc3F)c2)cc1C 2325770445 HSSPUTIZBBPMMQ-UHFFFAOYSA-N 434.463 5.575 30 10 IKEE CCCOc1ccc(C=Nn2c(CC)nnc2SCc2ccccc2F)cc1Cl 2326269232 KPOXCYBXEFBZGY-UHFFFAOYSA-N 432.952 5.596 30 10 IKEE CCCOc1ccc(C=Nn2c(C)nnc2SCc2ccc(Cl)cc2)cc1OCC 2326350074 PLXDFNIFNZCLNA-UHFFFAOYSA-N 444.988 5.602 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1cccc(OC)c1 2326524892 YIDDXDDKKNKWTD-UHFFFAOYSA-N 442.972 5.378 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(OCC)cc2)n1N=Cc1ccc(F)cc1F 2326660768 GEYZNCLGCGDOEN-UHFFFAOYSA-N 444.507 5.084 30 10 IKEE CCCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(OCC)cc1OCC 2326733658 GEBPEBNKDWTIDJ-UHFFFAOYSA-N 442.560 5.342 30 10 IKEE Cc1ccccc1C=Nn1c(COc2ccc(Cl)cc2)nnc1SCc1ccccc1 2327549103 RGPCNFITBLAVCL-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccccc2)cc1C 2329398112 BQAAKIYVUZYALF-UHFFFAOYSA-N 430.552 5.799 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccc(F)cc2)n1N=Cc1cccs1 2329473261 ZFXDKOQJGVNXBS-UHFFFAOYSA-N 436.581 5.747 30 10 IKEE Fc1ccccc1C=Nn1c(COc2ccccc2)nnc1SCCc1ccccc1 2329919499 SBPDHWPAOQDMKS-UHFFFAOYSA-N 432.524 5.213 30 10 IKEE C=CCSc1nnc([C@H](C)c2ccccc2)n1N=Cc1cc(Br)ccc1O 2330119064 NHTGDLXAYDSUOR-CQSZACIVSA-N 443.370 5.058 30 10 IKEE C=CCSc1nnc(CCc2ccccc2)n1N=Cc1cc(Br)ccc1F 2330201829 YNWDYFZJIPVBPT-UHFFFAOYSA-N 445.361 5.125 30 10 IKEE COc1ccccc1C=Nn1c(CC2CCCCC2)nnc1SCc1cc(C)ccc1C 2330273560 ZPZMMTXLZLNWLU-UHFFFAOYSA-N 448.636 6.201 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3ccc(C=CC(=O)c4cccc([N+](=O)[O-])c4)cc3)c(C)c2c1 2330621953 QWQICAUGMDTEJS-UHFFFAOYSA-N 440.455 5.808 30 10 IKEE COc1cccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)CCCC4)cc2)c1 2330680244 LYRNLISKKKEZOD-UHFFFAOYSA-N 442.511 5.455 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1Cl 2330808117 OSJPENDDXPVTAX-UHFFFAOYSA-N 439.766 7.419 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)ccc1OC(=O)c1sccc1C 2330940688 RWWNNUITZULYOL-UHFFFAOYSA-N 426.921 6.224 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccccc3C)nnc2C2CCCC2)c1OC 2331030547 FXNCWQXRYRNXNP-UHFFFAOYSA-N 436.581 5.436 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)COc1cccc(C)c1C 2331081219 ISLXQJGIRYZZEY-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)cc1)c1cccc(Cl)c1 2331117708 ABMZEQAPZNDBMK-FGZHOGPDSA-N 437.322 6.599 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)c1cccc(F)c1 2331142380 GTAVZNIWHPFZMW-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)cc([N+](=O)[O-])c1OC(=O)CC(C)C 2331150271 WNPRXVHGAZNFRA-UHFFFAOYSA-N 431.872 5.495 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)cc2)c(C)c1 2331216001 NLXBZAJGAJELGM-QFIPXVFZSA-N 442.555 6.696 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)CCCOc1ccccc1 2331235096 PCQZXKZXMIMLGP-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE COCCc1nnc(SCc2ccccc2Cl)n1N=Cc1c(F)cccc1Cl 2331286753 HAJUEBXCCHAANB-UHFFFAOYSA-N 439.343 5.087 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2F)c(Br)c1)c1ccc(F)cc1 2331526159 YYKQMNARQFUJEJ-UHFFFAOYSA-N 443.243 5.843 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(F)c3)cc2)cc1 2331554947 STASMWJHWFVTHB-UHFFFAOYSA-N 436.454 5.798 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)CC1CCCCC1 2331705214 PYYRFHJHVWZIAC-UHFFFAOYSA-N 436.548 6.093 30 10 IKEE CC1(C)C[C@@H]1C#CC(=O)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2339568386 OFNXTPZBVBFNRQ-CUBQBAPOSA-N 440.539 5.497 30 10 IKEE N#CC1(Cc2ccc(I)c(Br)c2)CCC2(CC1)CC2 2349899171 VJESGAKXBDPAMS-UHFFFAOYSA-N 430.127 5.460 30 10 IKEE C=CCCC1(C(=O)c2cc(C)cc(Br)c2OC)CN(C(=O)OC(C)(C)C)C1 2365217898 IKXLIVKUQHFJQO-UHFFFAOYSA-N 438.362 5.152 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CSCc1sc(Cl)cc1C#CCCO 2372408779 QRYZZMXGNQNPED-GDBMZVCRSA-N 430.035 5.014 30 10 IKEE O=C1CCCC2=C1[C@@H](c1cccs1)n1nc(SCc3ccc(Cl)cc3)nc1N2 9608546 NRXZLRQOWQBRAK-GOSISDBHSA-N 428.970 5.307 30 10 IKEE COc1cc([C@@H]2C3=C(CCCC3=O)Nc3c2ccc2ccccc32)ccc1OC(=O)C(C)C 12401222 AAFUBARIHVFGAJ-VWLOTQADSA-N 441.527 5.974 30 10 IKEE COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(N(C)C)cc2)c1 20881546 LXPLNOJEHXGKEE-PIIWDFAUSA-N 439.559 5.741 30 10 IKEE COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)c1O 20882008 KNEJCWFDMKBFRX-LMKMVOKYSA-N 430.479 5.519 30 10 IKEE O=C(/C=C/c1ccccc1OC(=O)c1ccccc1F)c1ccc(Br)cc1 34954031 WQFBBFYYTBQPNC-SDNWHVSQSA-N 425.253 5.704 30 10 IKEE Cc1c(C(=O)C(c2ccccc2)c2ccccc2)c(O)n(C2CCCCC2)c(=O)c1C#N 38618413 OMBOOCDLDCQSNS-UHFFFAOYSA-N 426.516 5.254 30 10 IKEE COc1cccc(COc2ccc3c(c2C)O/C(=C\c2ccc(-c4ccccc4)cc2)C3=O)c1 41503958 JETXRAMCCDUIEP-VEILYXNESA-N 448.518 6.866 30 10 IKEE C=CCc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)cc(OC)c1OCc1ccccc1C#N 96466429 PVCJOXXOGQHQPR-XKZIYDEJSA-N 448.544 5.319 30 10 IKEE CCCCCCCOc1ccc(NC(=O)CNc2cccc(OCCC(C)C)c2)cc1 100083462 AKJZWCGUPAGNOS-UHFFFAOYSA-N 426.601 6.511 30 10 IKEE CCCCCCCOc1ccc(NC(=O)CNc2cccc(OCc3ccccc3)c2)cc1 100086913 YCQVLKQXYUGTEB-UHFFFAOYSA-N 446.591 6.665 30 10 IKEE CCCCCCCOc1ccc(C(=O)Oc2ccc(Br)cc2C(=O)OC)cc1 100182219 PNYRMQIQIZIZMZ-UHFFFAOYSA-N 449.341 5.804 30 10 IKEE CCCCCCCC(=O)NC(=S)Nc1ccc(C(=O)N(CC)c2ccccc2)cc1 100311277 MUAFNWHDWYLYPD-UHFFFAOYSA-N 425.598 5.527 30 10 IKEE CCOC(=O)C1=C(Nc2ccc(F)cc2)S/C(=C/c2ccc(Cl)cc2Cl)C1=O 101379499 IUKZGBAPYWOIJS-CXUHLZMHSA-N 438.307 5.676 30 10 IKEE Cc1ccc(CN2c3ccsc3C(=O)/C(=C\Nc3ccc(Cl)cc3)S2(=O)=O)cc1 103133489 ODLCHQYFKXIPSI-XDHOZWIPSA-N 444.965 5.196 30 10 IKEE COC(=O)[C@@]1(Cc2ccccc2)CN(c2ccc(Cl)cc2)C/C1=N\Nc1ccccc1 109797183 XVFSUOGMXMNHOA-SJUMRLIPSA-N 433.939 5.030 30 10 IKEE CCN1C(=S)N[C@H](c2ccc(OCc3c(Cl)cccc3Cl)cc2)C(C(C)=O)=C1C 169933411 ISINICRQIHHPLR-OAQYLSRUSA-N 449.403 5.687 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1c1cc(C)cc(C)c1 169941140 IQVMELVABPAIQH-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1ccc(O)cc1)c1ccc(Cl)cc1 169963747 CUKDTFTZCLKEBX-HXUWFJFHSA-N 441.817 5.107 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2c[nH]c3ccccc23)cc1 170074121 GVOCACLPBROPJP-HSZRJFAPSA-N 442.446 5.099 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2C)c1 170086753 SJUUZEIIJMQSBP-HSZRJFAPSA-N 431.463 5.316 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2c2ccccc2)c1 170117929 RVLKRLFHTXKRBE-XMMPIXPASA-N 443.499 5.265 30 10 IKEE CN(C)c1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2C2CCCC2)cc1 170129907 ZTFMSPGSDAXRJY-HSZRJFAPSA-N 430.504 5.020 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2c2cccc(F)c2)c1 170140326 XRKKWMHTJLSTQB-DEOSSOPVSA-N 443.474 5.242 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(OC)c3)[C@@H]2c2cccs2)cc1 170156898 RNEKOZFLGJXKIE-QFIPXVFZSA-N 449.528 5.111 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3c(OC)cccc3OC)[C@@H]2c2cccs2)cc1 170157042 NYHJOAAHXIDBAK-QFIPXVFZSA-N 449.528 5.111 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(OCC(C)C)cc1 170167336 VOFIJDXBNMUGRV-QFIPXVFZSA-N 425.500 5.157 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC(C)C)c3)[C@H]2c2ccccn2)c1 170170442 MYYAJZLURVCEKQ-XMMPIXPASA-N 442.515 5.208 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@@H]1c1ccncc1 170202958 RANHBJBJDFYALR-HSZRJFAPSA-N 442.515 5.107 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@H]1c1cccc(OCC(C)C)c1 170219123 RVGBCEAQMQNDKR-XMMPIXPASA-N 449.547 5.035 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1C 170235347 QJNIIGIGKZWINC-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2c[nH]c3ccccc23)cc1C 170254338 XSYRHUPTLOJNBT-XMMPIXPASA-N 438.483 5.268 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@@H]1c1c[nH]c2ccccc12 170255269 JEMUXENLJLQMBK-NRFANRHFSA-N 438.911 5.208 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@H]1c1c[nH]c2ccccc12 170255532 BCSRCHQWXFMFSB-XMMPIXPASA-N 446.547 5.678 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2C)cc1 170272502 VFDKLBSBCNPNAQ-DEOSSOPVSA-N 427.500 5.485 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(C)o2)c1 170311121 DFINBIFLRZYQDD-HSZRJFAPSA-N 449.478 5.294 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1sccc1C 170318809 COLGGDIQUJLIKP-NRFANRHFSA-N 441.593 5.778 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc(OC(C)=O)c1 170321126 DBTCHZQTJPTUBW-DEOSSOPVSA-N 443.499 5.144 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C(C)C)cc2)c1 170363817 BVFVOXHBUHFJIR-RUZDIDTESA-N 441.527 5.992 30 10 IKEE CC(C)COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccc(O)c2)cc1 170385265 BURVBHZWKLPIHP-DEOSSOPVSA-N 443.499 5.210 30 10 IKEE COc1ccc(O[C@H](C)C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1 170494080 JUCFONVOJODARK-GOSISDBHSA-N 438.483 5.900 30 10 IKEE C[C@]12CCCC[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)C(=O)/C(=C\c3cccc(Br)c3)C[C@H]12 253532420 OMJIZRMQBBHMOY-QRSAIELUSA-N 441.453 7.444 30 10 IKEE CC(C)(C)c1ccc(CSc2nnc(N/N=C/c3ccc(Br)cc3)[nH]2)cc1 253579275 ZKVAEFJDZMXWOV-WSDLNYQXSA-N 444.402 5.603 30 10 IKEE CC(=O)O[C@@H]1C=C2C(=O)C[C@@H]3[C@H]4CC[C@@H]([C@@H](C)CCCC(C)C)[C@]4(C)CC[C@H]3[C@@]2(C)CC1 254302377 HTZDJVPKUOXQMG-XMDLNTBBSA-N 442.684 7.139 30 10 IKEE CCN(CC)c1ccc(C=NN=C2CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]23C)cc1 254405821 XLLVCEWUWMRFCJ-LTGLEFCMSA-N 443.635 6.570 30 10 IKEE Cc1ccc2oc(-c3ccc(C)c(N=Cc4cc([N+](=O)[O-])cc([N+](=O)[O-])c4O)c3)nc2c1 254822152 FHWZFSWLLWFYEV-UHFFFAOYSA-N 432.392 5.384 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(Sc3ccc(Cl)cc3)C2=O)cc1 526665472 UJYJMNNSINANIA-UHFFFAOYSA-N 445.931 5.509 30 10 IKEE CCCCCCCC/C=C\CCCCCCC(=O)OC[C@@H](O)C[C@H](F)P(=O)(O)O 575327257 JULQXOLTHLIRSX-XEWGXYBMSA-N 438.517 5.401 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 698424107 JDWJQUSBJFKHEC-MHECFPHRSA-N 429.561 5.418 30 10 IKEE COc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)cc1O 698456492 JCSHZEFTNBLACE-INIZCTEOSA-N 433.302 5.170 30 10 IKEE CC(C)C[C@@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Br)C1 698459220 VVNOCGZJJXRNOE-JTSKRJEESA-N 435.406 6.689 30 10 IKEE CC(C)[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698908468 IDQYNZLZVYTRBX-WOJBJXKFSA-N 437.625 5.635 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)C1(C#N)CCN(Cc2ccccc2)CC1 710755763 ZYUVNOWPGFFWLT-UHFFFAOYSA-N 425.960 5.640 30 10 IKEE CCCN[C@H](CC#CC(C)(C)C)c1ccc(I)c(Br)c1 721631987 WMDJGHKEPSKJEJ-MRXNPFEDSA-N 448.186 5.534 30 10 IKEE COc1cccc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2ccc3c(c2)CCCC3)c1 762438143 JUZSFVGLEZBLQR-UHFFFAOYSA-O 442.564 5.056 30 10 IKEE CCc1cccc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2cccc(O)c2Cl)c1 762445561 RWCHEBFVMILJKZ-UHFFFAOYSA-O 436.944 5.090 30 10 IKEE Brc1cccc(C=NNc2nc(-c3ccccc3)c(-c3ccccc3)s2)c1 1084060502 NCHYDCPYSWPSDK-UHFFFAOYSA-N 434.362 6.686 30 10 IKEE CC(C)(C)c1ccc(CSc2nc3ccc(N=Cc4ccc(F)cc4)cc3s2)cc1 1084457863 OFSALCUUOZQURJ-UHFFFAOYSA-N 434.605 7.776 30 10 IKEE CCCCCCCCOc1ccc(N=Cc2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 1084477494 XKQBOGVQGDINTF-UHFFFAOYSA-N 439.556 5.921 30 10 IKEE Cc1cc(C)cc(N=C2NC(=O)/C(=C\c3cc(N=Nc4ccccc4)ccc3O)S2)c1 1084491084 QVOHRVXRGWUJJC-NPZVQAEUSA-N 428.517 6.316 30 10 IKEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H]1CCC[C@H](C)C1 1507914361 IKSZOJOBZINJDT-ROUUACIJSA-N 434.588 5.211 30 10 IKEE CCc1ccc(C(=O)N2c3ccc(F)cc3[C@](C#N)(Nc3ccc(F)cc3)C[C@@H]2C)cc1 1615950566 SDZZHJVCVGORLR-QLXKLKPCSA-N 431.486 5.797 30 10 IKEE Cc1c(CON=C(NC(C)C)c2ccc(OCC3CC3)cc2)cccc1-c1ccccc1 1616048413 YOBUNFWENZLQPP-UHFFFAOYSA-N 428.576 6.327 30 10 IKEE Cc1oc(NC(=O)c2cc(C(C)(C)C)nc3c(Br)cccc23)c(C#N)c1C 1859649117 FLIAPXMQZZVDJJ-UHFFFAOYSA-N 426.314 5.629 30 10 IKEE CCCCCCCCNC(=O)[C@H](NC(=O)c1c(C)ccc2ccccc12)c1ccccc1 1860986652 NSCIWIZYJQSULK-AREMUKBSSA-N 430.592 6.096 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)CCc1ccc(Cl)cc1)[C@H](C)CC 1861110514 DEEMYEPVPJEDFC-YKSBVNFPSA-N 437.068 6.060 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2Cl)=C(O)C(=O)N1Cc1ccco1 1862380184 WBDOMPRAKLEIQZ-FQEVSTJZSA-N 442.298 5.673 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(CC)cc1 1862384943 DKVVDPFTXWRAJJ-HXUWFJFHSA-N 432.347 5.934 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@H]1c1cccc(OC)c1 1862390575 GZPVQIZRWKHAJM-XMMPIXPASA-N 435.564 5.806 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1Br 1862453270 VZLYBHJWDLTQRF-SGTLLEGYSA-N 448.744 5.479 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3c(F)cc(F)cc3F)[C@@H]2c2ccccc2)c1 1862455881 DZBRYLFGXKDSMT-QFIPXVFZSA-N 437.417 5.191 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC)cc1OC 1862484758 USGMCDYEQIWLBX-HSZRJFAPSA-N 437.536 5.171 30 10 IKEE COc1cc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCCCC2)ccc1O 1862492602 VVKOTQMTVOYXSQ-DEOSSOPVSA-N 449.547 5.319 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccccc1Br 1862496242 GEQVPWAAMHCUEV-QRWLVFNGSA-N 442.353 5.443 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CC(C)C)c1 1862512008 RQGSXBFFJRMSSA-JOCHJYFZSA-N 425.500 5.157 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1c(Cl)cccc1Cl 1862539683 VHCVYRXEXLYBGP-OAQYLSRUSA-N 446.374 6.324 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccc(Cl)cc2)c1 1862557665 NTNKUEIFGJUELU-JOCHJYFZSA-N 438.955 5.613 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2Cc2ccco2)c1 1862613727 NTNGLEOCELPFMQ-QHCPKHFHSA-N 429.516 5.664 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2cccc(C)c2)cc1F 1862636618 KRSRKWBSKJPBKE-HSZRJFAPSA-N 449.453 5.060 30 10 IKEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccccc1Cl)c1cccc2ccccc12 1862654194 WSCVOYUWYPCYFP-UZUQRXQVSA-N 447.918 5.251 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCCc2ccccc2)[C@@H]1c1cccc(F)c1)c1ccc(F)cc1 1862674239 UDFUAZSVRYCLGG-XMMPIXPASA-N 447.481 5.566 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(Cl)cc2Cl)cc1 1862690052 GQJOHOPLWFBVQI-FQEVSTJZSA-N 446.330 5.523 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 1862727774 LOOPTHHMSNGUAX-HSZRJFAPSA-N 440.455 5.026 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(Cl)c3)C(=O)N(c3ccccc3C#N)C2=O)cc1C 1862885540 XQPKTMRPTLWCON-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(CC)cc2)=C(c2ccc(OCc3ccccc3)cc2)C1=O 1863362111 JFPHMGCKBWJULF-UHFFFAOYSA-N 438.527 5.206 30 10 IKEE CC(C)(C)c1ccc(C(=O)Nc2c(C#N)nnn2Cc2ccc(Cl)cc2Cl)cc1 1870112583 LPHUHDZUXBJMOE-UHFFFAOYSA-N 428.323 5.055 30 10 IKEE C=CCOc1cn(CCc2ccc(F)cc2)c(CSc2ccc(Cl)cc2)cc1=O 1870244273 HPTKSAJCFVEIMK-UHFFFAOYSA-N 429.944 5.741 30 10 IKEE CCCCCCCOc1cn(CCCCCC)c(CNc2ccc(C)c(Cl)c2)cc1=O 1870839555 PKDQDUZXNYILDH-UHFFFAOYSA-N 447.063 7.352 30 10 IKEE C=CCn1cc(OCc2ccc(C)cc2)c(=O)cc1CNc1cccc(Br)c1 1871205556 PSRMRIIPLIJBAE-UHFFFAOYSA-N 439.353 5.296 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(Cc1cccc(C)c1)C3 1871348148 UQIISKUQCNHGMK-QFEZKATASA-N 441.527 5.670 30 10 IKEE COc1ccccc1OCC(=O)Oc1cc(C)c2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 1871370434 LOTMAFAUUGFPMU-LABNAMAPSA-N 442.467 5.160 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc([N+](=O)[O-])c(C)c4)c3C)C2=O)cc1 1871373767 SIWTUKGFKAZZSH-UCQKPKSFSA-N 443.455 5.609 30 10 IKEE Cc1nc2ccc(C(=O)Oc3ccc4c(c3)O/C(=C\C=C\c3ccccc3)C4=O)cc2nc1C 1871378744 CVTJJKRLZNFYSQ-XAABERSQSA-N 448.478 5.638 30 10 IKEE Cn1cc(/C=C2\Oc3c(ccc(O)c3CN3CCCc4ccccc43)C2=O)c2ccccc21 1871395382 PYKSBEJYGLPMJM-YSMPRRRNSA-N 436.511 5.453 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OCCOc4cccc(C)c4)ccc3C2=O)cc1 1871405375 DPSSYMUYCKAHSZ-IMRQLAEWSA-N 443.543 5.915 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4c(C)cccc4C)ccc3C2=O)cc1 1871432151 WJOQHXPDVRVIIG-QHSFOXILSA-N 427.500 5.634 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccc(F)cc1 1872445696 LGQWGNJIAUXJSR-HSZRJFAPSA-N 446.588 5.323 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccc(C(C)C)cc3)n2)cc1 1872768117 JQOJNFUIIBAQHW-JTSKRJEESA-N 434.561 5.976 30 10 IKEE COc1ccc(OC)c(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccc(Cl)cc3)n2)c1 1872771097 MFRMKLMAMQQDDY-SCLBCKFNSA-N 442.924 5.124 30 10 IKEE C[C@H](Oc1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(C(C)(C)C)cc2)cs1 1872773596 RLRUEOWYEGRLEJ-MGPUTAFESA-N 438.980 6.405 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)c2ccc(Cl)s2)n1 1872777502 PDUZEMBITJMJBH-CQSZACIVSA-N 430.982 6.321 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3cccc([N+](=O)[O-])c3)n2)cc1Cl 1872785942 XJNDVSJTENTTAI-BIENSFFJSA-N 439.880 5.270 30 10 IKEE C=CCN(CC=C)C(=O)c1ccc2nc(CCCOc3ccc(Cl)cc3Cl)[nH]c2c1 1872795416 CUCGYPWWYVCUTK-UHFFFAOYSA-N 444.362 5.696 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCCCC)=C(c2ccccc2F)C1=O 1873030012 VNJQEMPXJCJHJC-UHFFFAOYSA-N 430.608 6.216 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(OCC)cc2)cc2c(NCc3ccc(F)cc3)ncnc21 1873611895 YIMJPHBFUNDXTN-UHFFFAOYSA-N 445.498 5.020 30 10 IKEE C=CCn1c(C(=O)Nc2ccccc2C)cc2c(NCCCCc3ccccc3)ncnc21 1873619849 VMVHFIKZHMDQJH-UHFFFAOYSA-N 439.563 5.613 30 10 IKEE Cc1ccccc1/C=N/n1c(CCOc2ccccc2)nnc1SCc1cccc(F)c1 1874344387 KQXWBLKBQUHTPW-WPWMEQJKSA-N 446.551 5.522 30 10 IKEE COc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2/N=C/c2ccccn2)cc1 1874351122 VLEKNGCZMRIDMW-CVKSISIWSA-N 449.967 5.100 30 10 IKEE Cc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccc(Cl)cc2)cc1 1874404673 KFQZRUUMWKKBIG-WPWMEQJKSA-N 447.007 6.200 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2[C@H]2CCCO2)cc1 1874449810 MGCTUJRLKYJGBY-VUEBRRCKSA-N 444.560 5.466 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc(C)cc1 1874479954 AQZPPRDMUNTLTA-ZMOGYAJESA-N 433.408 6.410 30 10 IKEE COc1cccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C(C)(C)C)c1O 1874485442 VREBQIAOMPVVBO-CVKSISIWSA-N 446.576 5.618 30 10 IKEE COc1cc(/C=N/n2c(CC(C)C)nnc2SC)ccc1OCc1ccc(Cl)cc1 1874486122 BQAHNXYVQOVNMM-ZMOGYAJESA-N 444.988 5.322 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1ccc(Cl)cc1Cl 1874507857 YNMVDOWSQYZPLX-WYMPLXKRSA-N 433.408 6.329 30 10 IKEE Clc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CC2)c(Cl)c1 1874519791 LYGGSLNZRGVFOP-AUEPDCJTSA-N 437.783 6.290 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(Cl)cc2)c1OCC(=O)Nc1ccc(F)cc1 1874578257 DUGNHPKGJZJWOI-VGOFMYFVSA-N 439.870 5.401 30 10 IKEE Cc1cc(C(=O)/C=C/c2cc(Cl)ccc2OCc2cccc3ccccc23)ccc1F 1874581249 DJCQKBKYIIBKNC-JLHYYAGUSA-N 430.906 7.416 30 10 IKEE CCCOC(=O)COc1c(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Cl)cc1OC 1874583230 CRVFIXLWANKMEE-ZHACJKMWSA-N 430.928 5.700 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)c(OCC)c1 1874589715 ZLAXRPMWNIQQHK-LFIBNONCSA-N 447.487 5.867 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1cccc(C)c1 1874601755 BHHHTKQCSCHFFS-MDZDMXLPSA-N 437.879 6.040 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OCC(=O)Nc1ccccc1C 1874618002 DZPTXVXILOUQIH-WYMLVPIESA-N 443.543 5.924 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OCc1cccc2ccccc12 1874624976 GIUULEOPMPWPCD-XNTDXEJSSA-N 442.486 6.471 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OC(=O)c1ccc2c(c1)OCO2 1874701343 NVXLWYVWZGAGIE-WEVVVXLNSA-N 430.456 5.156 30 10 IKEE CCCCCCCCC(=O)Oc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OC 1874707721 SZVSJJWZSQFLPQ-JLHYYAGUSA-N 438.520 5.976 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OC(=O)c1c(F)cccc1Cl 1874709830 KTNHPTPFDKLOJD-VZUCSPMQSA-N 428.818 5.742 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 1875085085 OMLRJGBEBROLGS-SFQUDFHCSA-N 435.520 6.393 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)CCCSC)c(OC)c2)cc1 1875112683 OBDXWMBHLLTODL-IZZDOVSWSA-N 434.941 5.302 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2c(F)cccc2Cl)cc1)c1ccc([N+](=O)[O-])cc1 1875116809 TYOSIPMJSCHMQO-AWNIVKPZSA-N 425.799 5.503 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC(=O)C(F)(F)F 1875117208 DVQNWMGOQFHYRW-FPYGCLRLSA-N 443.761 5.011 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC(=O)Cc1ccc(C)c(C)c1 1875122597 QKGDFXNOCBSQGL-UXBLZVDNSA-N 436.454 5.634 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2cccc(Cl)c2)cc1OCC 1875124702 XZPJBHJTHKKEOG-OUKQBFOZSA-N 449.374 7.164 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)Oc3ccc(Cl)cc3)cc2)c(C)c1 1875131325 RIVWSGQTZTURGE-QEXPOGAPSA-N 434.919 6.226 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)CCOc1ccccc1 1875136576 FDSRRANUQHOQHO-RVDMUPIBSA-N 430.500 5.664 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)CSc1ccccc1 1875136882 KVDONCUUWJVACO-RVDMUPIBSA-N 432.541 5.988 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)Cc1ccccc1Cl 1875136928 MYTFEDOQPUAFTL-GXDHUFHOSA-N 434.919 6.091 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)c3cccnc3)c(Br)c2)ccc1F 1875141802 WEUSBXKCLLESIK-XBXARRHUSA-N 440.268 5.407 30 10 IKEE O=C(Cc1ccccc1Cl)Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1 1875154120 PFLZCKXBLQPCBH-SAPNQHFASA-N 426.899 6.537 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc(F)c2)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 1875162917 WULHGKIRQOJWBN-XBXARRHUSA-N 427.334 5.127 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)CC2CCCCC2)c(Cl)c1 1875192989 NNRHRSSQTFFSGH-JXMROGBWSA-N 447.358 6.774 30 10 IKEE C=C(Cl)COC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)CC 1882298218 ONRRUVYYPPAOSG-IVZQSRNASA-N 427.928 5.236 30 10 IKEE CC1(C)OB(/C=C/c2ccc(N(Cc3ccccc3)Cc3ccccc3)nc2)OC1(C)C 1888394350 ZYZGNHIUGKDEJI-ISLYRVAYSA-N 426.369 5.933 30 10 IKEE C=C([C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1)[Si](C)(C)C 1922982458 ILCSSRMGQXVKQL-QIJUGHKUSA-N 434.697 5.287 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@@H]1Nc1ccc(C#N)cc1Br 1924913916 MPEDLLLYNTVCBD-MAUKXSAKSA-N 434.378 5.206 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCC[C@@H]2NC(=O)OC(C)(C)C)c1 1943892880 IWXYDBRZMDAEAV-CYFREDJKSA-N 429.561 5.466 30 10 IKEE CCC[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 1944858985 GYVSVCDPDYIWKK-FOIQADDNSA-N 449.514 5.105 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@H]1CCN(C(=O)OC(C)(C)C)C12CCCC2 2008776040 WRDYOFKNSKCIKB-XZOQPEGZSA-N 428.617 5.307 30 10 IKEE CC(C)(C)[C@@H](C#N)CNc1cc(Br)c(Br)c(Br)c1 2034336173 XGOYSTBFKAAPRZ-QMMMGPOBSA-N 438.989 5.572 30 10 IKEE N#C[C@@]1([C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCCCO1 2071358457 SUOJTSAOLMBCMJ-KAYWLYCHSA-N 429.516 5.341 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@H]2CN(C(=O)OC(C)(C)C)C(C)(C)C2)c1 2073119576 RZWQOZYHOXEEGH-ICSRJNTNSA-N 443.588 5.664 30 10 IKEE CC1(c2nn(Cc3ccc(C(F)(F)F)c(F)c3)c(Br)c2C(F)(F)F)CC1 2079828366 IORMKVZFEIOETR-UHFFFAOYSA-N 445.176 5.922 30 10 IKEE CCCOc1ccc([C@@H](n2nc(C(C)(C)C)c(C#N)c2Br)C(C)(C)C)cc1 2080077456 FJOVPKSUTFHBHX-LJQANCHMSA-N 432.406 6.239 30 10 IKEE N#Cc1ccc(NCc2ccc(Br)cc2Br)cc1Br 2092168279 MUYXJLRSYBJASM-UHFFFAOYSA-N 444.952 5.458 30 10 IKEE CC(C)[C@H](C)[C@H](CNc1cc(Br)cc(F)c1C#N)NC(=O)OC(C)(C)C 2107438033 GPEIBVOYAWOOQT-SJCJKPOMSA-N 428.346 5.057 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)cccc1Br 2116846033 WOMPISGLQCFDHV-AEFFLSMTSA-N 429.374 5.488 30 10 IKEE N#C[C@H](Nc1ccccc1F)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134726273 SIBNALVOYHBXKW-SANMLTNESA-N 438.502 6.660 30 10 IKEE CN(Cc1ccc(CNc2cc(Br)ccc2C#N)cc1)C(=O)OC(C)(C)C 2162336573 YVVHFURLOTVHFM-UHFFFAOYSA-N 430.346 5.300 30 10 IKEE C=CCN(CC(=C)Br)C(=O)C[C@H](C)c1ccc(NC(=O)OC(C)(C)C)cc1 2180919880 DKSUTCZJOPQQQI-HNNXBMFYSA-N 437.378 5.450 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NC)c2ccc(Br)cc2Cl)C1 2222736025 ZDEYXYXLKLCTJK-MRXNPFEDSA-N 429.786 5.224 30 10 IKEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)cc1Cl 2222751093 IDIQKOXVGLYXOS-IAGOWNOFSA-N 429.786 5.060 30 10 IKEE C=C(CC)C[C@H](NCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229129471 GUBMDZWFEDFBHJ-RBUKOAKNSA-N 425.411 5.219 30 10 IKEE CCC#CC[C@@H](NCCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237410298 NNNHBBSPWLDPJW-UXHICEINSA-N 437.422 5.057 30 10 IKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)C1(C#N)CCC(NC(=O)OCc2ccccc2)CC1 2241909984 JMHXBABHSIIIPL-NWKXHEKXSA-N 429.561 5.153 30 10 IKEE C#CCN(C(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCC1 2243915359 HKFRJBXGDNOPLI-UHFFFAOYSA-N 444.575 5.100 30 10 IKEE C#C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C 2243924661 JWWXWHBQDBMGGF-JWQCQUIFSA-N 446.591 5.104 30 10 IKEE CC(C)(C)CN(Cc1ccccc1)C(=O)c1cccc(Cl)c1B1OC(C)(C)C(C)(C)O1 2256105210 JVSCEYBZEGUGDV-UHFFFAOYSA-N 441.808 5.328 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)c1scc(Br)c1Cl 2279182286 ZABNXVBXZIHIEH-ZDUSSCGKSA-N 433.596 5.629 30 10 IKEE COc1cccc(NC(=O)OC(C)(C)C)c1C(=O)C#Cc1ccccc1Br 2283468324 GLWBYEMUXIJOHT-UHFFFAOYSA-N 430.298 5.039 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc3c2[C@@H](c2ccccc2Cl)CC(=O)O3)C1=O 2297591580 BRBHDKFDQXTHIG-QGZVFWFLSA-N 432.859 5.406 30 10 IKEE C=CCC(CC=C)[C@@H](NC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2301067107 WREOGKANSYEJFS-BVAGGSTKSA-N 428.617 5.187 30 10 IKEE C=CCc1ccc(OCCn2c(C=Cc3ccc(Cl)cc3)nc3ccccc32)c(OC)c1 2314899210 VROXQXSWACULJB-UHFFFAOYSA-N 444.962 6.676 30 10 IKEE CC(C)N[C@@](C#N)(CC1CCC1)CN(CCN(C)Cc1ccccc1)Cc1ccccc1 2318401834 KNWYHMMBWZEUCS-MUUNZHRXSA-N 432.656 5.071 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CC2)c1 2320892092 KKXBOHWBRYMKLO-UHFFFAOYSA-N 426.973 5.772 30 10 IKEE CCOc1cc(C=NNc2ccccc2Cl)ccc1OCc1ccc(Cl)cc1Cl 2321689126 KSTXXLSJGCVVET-UHFFFAOYSA-N 449.765 7.071 30 10 IKEE Cc1ccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C(F)(F)F)[nH]1 2321823620 HWDSRQQWPDBDSC-UHFFFAOYSA-N 434.274 5.415 30 10 IKEE CCOc1cc(C=Nn2c(S)nnc2C2CCC2)ccc1OCc1cccc(Cl)c1 2321901674 GQHVAEFMUJKEED-UHFFFAOYSA-N 442.972 5.348 30 10 IKEE COc1ccc([C@H](C)N2COc3ccc4c(c3C2)OC(=CC=Cc2ccccc2)C4=O)cc1 2322239905 WUIQXAIKLIITCU-IBGZPJMESA-N 439.511 5.781 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 2322534941 BWYSPKPCAVRMOT-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE O=C(C=Cc1cc(Br)ccc1OCc1c(F)cccc1Cl)c1ccccc1 2322542442 CMSAEVXGVDXZKP-UHFFFAOYSA-N 445.715 6.717 30 10 IKEE Cc1cc(C(=O)C=Cc2cc(Br)ccc2OCC(=O)OCC(C)C)ccc1F 2322624261 BTOMEBOMHRVLGR-UHFFFAOYSA-N 449.316 5.371 30 10 IKEE Cc1cc(C(=O)C=Cc2cc(Cl)ccc2OCc2c(F)cccc2Cl)ccc1F 2322634675 IFGVUYITDZEYTB-UHFFFAOYSA-N 433.281 7.055 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1cc(C)c2c(c1)OC(=Cc1ccc(C)cc1)C2=O 2322748893 PWMVMSDAJKQPQQ-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)c4cc5cc(Cl)ccc5o4)ccc3C2=O)cc1 2322844885 HWVCAQUHWZPNAA-UHFFFAOYSA-N 446.842 5.930 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1Cl 2322975192 CHAGHZOUXPQNGQ-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE Cc1cc(OC(=O)c2cc(Cl)ccc2Cl)cc2c1C(=O)C(=Cc1cccnc1)O2 2323581524 OOXCSNNJADXTCV-UHFFFAOYSA-N 426.255 5.532 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] 2323766938 UWDLSDUJNZKGFW-UHFFFAOYSA-N 444.915 5.172 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2323791650 NZCNSHNDYVGFAV-UHFFFAOYSA-N 434.875 5.883 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2OC)cc1 2323802638 URZLXFLEIGEHGD-UHFFFAOYSA-N 449.934 5.825 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(CC)cc2)C3=O)c1 2323802763 LAPWIJRBBDEMHF-UHFFFAOYSA-N 428.484 5.792 30 10 IKEE CCCOc1c(Br)cc(C=CC(=O)c2ccc(OCC)cc2)cc1OCC 2323840626 BGEIWRWQNGLRGO-UHFFFAOYSA-N 433.342 5.931 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)c1 2323890175 QFWVSZYHDHAXJW-UHFFFAOYSA-N 440.451 5.394 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(F)c(C)c3)cc2Cl)o1 2323970496 HNBALWUVIYFXEL-UHFFFAOYSA-N 442.870 6.032 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)cc1F 2324103036 ZSGLBCYEAQWICF-UHFFFAOYSA-N 444.861 6.111 30 10 IKEE Cc1cc(O[C@H](C)C(=O)Nc2ccccc2)cc2c1C(=O)C(=Cc1ccc(C(C)C)cc1)O2 2324405968 YSNRRHDDDHFMEM-LJQANCHMSA-N 441.527 6.141 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(O[C@@H](C)C(=O)Nc3ccccc3C)ccc2C1=O 2324406223 QOJKOARCRGVZIJ-SFHVURJKSA-N 443.499 5.416 30 10 IKEE COc1cc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(C)c(C)c3)cs2)ccc1OC(C)=O 2324756606 RHVWUNZKJIKCTP-FQEVSTJZSA-N 446.528 5.251 30 10 IKEE C[C@@H](Oc1ccc2c(c1)OC(=Cc1ccccc1)C2=O)C(=O)Nc1nc2ccccc2s1 2325417752 FESHUWZKXBCXQL-OAHLLOKOSA-N 442.496 5.319 30 10 IKEE CCOc1cccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccc(F)cc2)c1 2325471293 YQCOLMOQEOEBBH-UHFFFAOYSA-N 446.551 5.581 30 10 IKEE COc1ccc(C=CC(=O)C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 2325512865 IUWUGPKJAQEZPX-UHFFFAOYSA-N 428.513 5.501 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc3c(c2)OCO3)c1)c1ccc2c(c1)CCCC2 2325702100 SNZMAQAFEJWUGB-UHFFFAOYSA-N 426.468 5.409 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cc(C)cc(C)c3)c2)cc1C 2325713803 VTPOFOPJJUMWCU-UHFFFAOYSA-N 430.500 5.744 30 10 IKEE COc1ccccc1C(=O)C=Cc1cccc(OC(=O)c2ccc3cc(Cl)ccc3n2)c1 2325724699 NQWPPVZXIGGBJA-UHFFFAOYSA-N 443.886 6.012 30 10 IKEE CCOc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc(F)c(F)c3)c2)cc1 2325753617 FCHZKJZBXLDTGW-UHFFFAOYSA-N 438.426 5.244 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1c(C)n(CC)c2ccccc12 2326306191 CKFFWQQKOWVIFR-UHFFFAOYSA-N 431.609 5.997 30 10 IKEE CCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1cccc(OC(C)C)c1 2326323910 CKNMNTMGOKGSOX-UHFFFAOYSA-N 436.625 6.100 30 10 IKEE COc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2cccc(C)c2)cc1 2328386367 NCSCETUINCFMOG-UHFFFAOYSA-N 444.560 5.349 30 10 IKEE COc1ccc(Cc2nnc(SCc3cccc(F)c3)n2N=Cc2ccccc2C)cc1 2329256790 KYCSAYYQLFHVCR-UHFFFAOYSA-N 446.551 5.500 30 10 IKEE CCCOc1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCC)cc1OCC 2329828167 OYMAMTYZDTWITQ-UHFFFAOYSA-N 442.560 5.190 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc[nH]1 2330123470 LGDOMHHJUIPNBG-LJQANCHMSA-N 437.572 6.086 30 10 IKEE CCCSc1nnc(CC(C)(C)C)n1N=Cc1ccc(N(CC)Cc2ccccc2)cc1 2330858207 KDMNHDBTWKJXJT-UHFFFAOYSA-N 449.668 6.278 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2Cl)c(Cl)c1)c1ccc(F)cc1F 2331089806 YKNWRYLOGBJKLC-UHFFFAOYSA-N 433.237 6.387 30 10 IKEE O=C(Cc1ccccc1F)Oc1ccc(C=CC(=O)c2ccccc2)cc1Br 2331167703 LOMYCABXIWJBAY-UHFFFAOYSA-N 439.280 5.632 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2N=Cc2ccccc2C)cc1C 2331170133 BHMUQAZIRHKSDH-UHFFFAOYSA-N 445.548 5.076 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3)c(Br)c2)c1 2331320435 NDRNQFAGRJLVBN-UHFFFAOYSA-N 449.344 6.110 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)c1ccc(F)cc1 2331346620 GFZAJIXZIFFBLX-UHFFFAOYSA-N 448.465 6.126 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2C(C)(C)C)cc1 2331373115 BDBXWLXOYGOOSU-UHFFFAOYSA-N 439.604 5.735 30 10 IKEE CCCCOc1ccc(C=Nn2c(CC(C)C)nnc2SCc2cccc(F)c2)cc1 2331443297 JEFLEGYEYWXFAX-UHFFFAOYSA-N 440.588 5.969 30 10 IKEE COc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2)cc1 2331491581 SUMNMSTTZUCRGE-UHFFFAOYSA-N 430.500 5.699 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(C)=O)c(Br)c1 2331548459 JDJZRBIDLJBMRQ-UHFFFAOYSA-N 431.326 5.577 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3cccc(Cl)c3)cc2)cc1C(C)C 2331573705 BMHXNPWLPAVCBW-UHFFFAOYSA-N 448.946 6.896 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)c1cccnc1 2331764495 YULUSIYGNLFBHD-UHFFFAOYSA-N 431.488 5.139 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)cc1Cl 2331818734 JOQIMTMVVFCLDU-UHFFFAOYSA-N 436.847 5.193 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccccc3)c([N+](=O)[O-])c2)cc1C 2331851491 FPBHYKJFPOOGIE-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE CC[C@H](N[C@H]1CC(C)(C)[C@@H]1OCc1ccccc1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363843859 LLSHGDXBRQWBQK-CCDWMCETSA-N 449.444 5.410 30 10 IKEE N#Cc1ccc(Cl)cc1NC(=O)COC(=O)/C(=C\c1cccs1)c1cccs1 3322562 QVRFMZTZCIEKTR-YBEGLDIGSA-N 428.922 5.057 30 10 IKEE CCCC[C@H](CC)[C@H](ON=C(c1ccccc1)c1ccccc1)n1nnc2ccccc21 5309973 XZFQFZVQVQKTBX-IDISGSTGSA-N 426.564 6.616 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c(C)cc(C)cc1C)N2 20691388 OQSPCMZGJHCODQ-NOTUOJBMSA-N 448.632 5.801 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccncc2)cc1OC 20883575 QMZNMBTYIPKJOB-UZTOHYMASA-N 441.531 5.468 30 10 IKEE CSc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)cc1 20884357 VIWOWKFGXVSVCO-WXTAPIANSA-N 430.548 6.527 30 10 IKEE Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1[N+](=O)[O-] 21243432 BORALWHZHFQPMK-VOIUYBSRSA-N 431.517 5.944 30 10 IKEE C=CCN(C(=O)c1c2c(nc3ccccc13)C(=O)N(C1CCCCC1)C2)c1ccccc1 21915227 KAUJGOVAGVZLPR-UHFFFAOYSA-N 425.532 5.356 30 10 IKEE C=CCn1c(Cc2ccccc2)nnc1SCC(=O)/C=C1\N(C)c2ccccc2C1(C)C 32789232 CFGXESSIBCGXFS-QJOMJCCJSA-N 444.604 5.028 30 10 IKEE COc1ccc(/N=C2/NC(=O)S/C2=C\c2ccc(-c3c(Cl)cccc3Cl)o2)cc1 33568356 HLEXHDRWPXTOFQ-WQRHYEAKSA-N 445.327 6.790 30 10 IKEE CCOC(=O)c1c(N/C(S)=N/C(=O)/C=C\c2cccs2)sc2c1CC[C@@H](C)C2 33921278 WBWQVNBDWSJDHD-ZVTBTPLYSA-N 434.608 5.049 30 10 IKEE O=C1/C(=C\c2c(Cl)cccc2Cl)Oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc21 35087386 RNBZAPQPSJVPLL-SRZZPIQSSA-N 442.254 6.097 30 10 IKEE C=C(C)C(=O)NCCCc1nc2ccccc2n1CCCOc1ccc(Cl)c(C)c1 35144995 VJGDDJJFGQNHTL-UHFFFAOYSA-N 425.960 5.092 30 10 IKEE C=CCC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)CC(C)C 36308069 KDLZVUWTZHCMOD-HSZRJFAPSA-N 433.596 5.665 30 10 IKEE Cc1c(C(=O)c2sc3ccccc3c2Cl)c(O)n(CCc2ccccc2)c(=O)c1C#N 38619940 ATLTWDRXLHVEAN-UHFFFAOYSA-N 448.931 5.076 30 10 IKEE Cc1cc(OC(=O)c2cccc(F)c2)cc2c1C(=O)/C(=C/c1cn(C)c3ccccc13)O2 41430715 QXQVXWCZCONQCO-FMCGGJTJSA-N 427.431 5.461 30 10 IKEE CCOc1ccc(C(=O)/N=C(\NCc2ccncc2)Nc2ccc([C@H](C)CC)cc2)cc1 45940395 QPMQWDBMOYDOTH-LJQANCHMSA-N 430.552 5.392 30 10 IKEE C=CCn1c(CCc2ccccc2)nnc1SCCC(=O)Nc1ccccc1Cl 59263856 KXIQOFMWBZKNDX-UHFFFAOYSA-N 426.973 5.024 30 10 IKEE CSc1nc2ccc(/N=C/c3cc(I)ccc3O)cc2s1 59502664 GWFKZUZCKQESSP-CAOOACKPSA-N 426.304 5.079 30 10 IKEE C=C(C)COc1ccccc1NC(=O)CNc1cccc(C(=O)N[C@@H](C)c2ccccc2)c1 66096877 GMGOLBUWLXOZIH-FQEVSTJZSA-N 443.547 5.183 30 10 IKEE C=C(C)COc1ccc([C@@]2(CC)Nc3ccccc3C(=O)N2CCc2ccccc2)cc1 66133443 VFANTDQHKJIQPQ-NDEPHWFRSA-N 426.560 6.015 30 10 IKEE C=C(C)[C@@H]1CC[C@]2(C)CC[C@@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 96030593 MQYXUWHLBZFQQO-KWGWMANWSA-N 426.729 8.025 30 10 IKEE in-vitro CCCCCCCOc1ccc(NC(=O)CNc2cccc(NC(=O)CCC)c2)cc1 100095625 MSPBONHIIRALBP-UHFFFAOYSA-N 425.573 5.825 30 10 IKEE CCCCCCCOc1cccc(NC(=O)CNc2cccc(NC(=O)C3CC3)c2C)c1 100119025 NORAXWJZXDUAMU-UHFFFAOYSA-N 437.584 5.743 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1cccc(N(C)C(C)=O)c1 100444402 LYBBDWITRJFIJI-UHFFFAOYSA-N 433.662 6.183 30 10 IKEE CCCCCCCCCCCCn1c(CCNC(=O)c2ccccc2C)nc2ccccc21 102138295 KFQFVQOWCSVIBK-UHFFFAOYSA-N 447.667 7.238 30 10 IKEE CCCOc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)cc1 136567677 UEVZFHCLBBALMI-NXLSWJSLSA-N 427.500 5.097 30 10 IKEE C[C@@H]1CC/C(=C/C=C/c2ccccc2[N+](=O)[O-])C(=O)/C1=C/C=C/c1ccccc1[N+](=O)[O-] 137115120 QHSOFLQDNNTTDE-RYELTUQGSA-N 430.460 6.081 30 10 IKEE C=C1C[C@]2(CO)CC[C@@H]3[C@@H](CC[C@H]4[C@@]3(C)CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]34C)[C@H]2[C@@H](C)[C@@H]1C 141373710 SEMDMGSTKZEUNY-QZDKKBBASA-N 442.728 6.853 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@H]1c1cccnc1)c1cc2ccccc2o1 170008157 KKUCSZKBGMCAQQ-VWLOTQADSA-N 446.462 5.764 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(C)c(C)c2)[C@@H]1c1ccccc1 170048307 ZMNDOSPNFCUSHJ-DEOSSOPVSA-N 427.500 5.091 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1c[nH]c2ccccc12 170073821 NLOOVZYMWXMLCH-VWLOTQADSA-N 440.474 5.409 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2Cc2ccco2)c1 170143936 XLAFCHVLEWZBPZ-FQEVSTJZSA-N 442.298 5.673 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccccc1OC(C)C 170150855 CTJIADRYZAGUQN-OAQYLSRUSA-N 427.928 5.506 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2cccs2)cc1 170158443 XMAGFOWOMPPLNX-QHCPKHFHSA-N 447.556 5.937 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1cccnc1 170191303 WBDDQSOUUYDTTE-QFIPXVFZSA-N 444.874 5.573 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@@H]1c1cccnc1 170195923 ZPBMYASGTOEKCX-QHCPKHFHSA-N 436.552 5.291 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccncc2)ccc1Cl 170205370 OPIIKODJNICVDD-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccccc1 170226460 PCXSRZZUPYNTIA-QFIPXVFZSA-N 447.918 5.748 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(F)cc2)cc1 170241159 VBQGXXDIVSLKED-QHCPKHFHSA-N 449.478 5.232 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@@H]1c1ccc(C(C)C)cc1 170245384 GFPTZPGJSZQLAS-NRFANRHFSA-N 427.928 5.460 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(O)c2)ccc1OCC(C)C 170264388 CCCUPEXEEXCRPK-XMMPIXPASA-N 449.547 5.256 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2Cc2ccco2)cc1 170266200 GMANGGPPOAGBFK-QHCPKHFHSA-N 426.472 5.102 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccco2)c(C)c1 170280892 PMAXQAOEVCWQHO-QHCPKHFHSA-N 431.488 5.503 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2c2ccc(F)cc2)o1 170299712 YOSBPKFZXQZOOV-IBGZPJMESA-N 446.261 5.817 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 170346100 ALAOCLNYDPPXRL-JOCHJYFZSA-N 431.488 5.369 30 10 IKEE CCCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)cc1 170373589 LKDZGCVIRWYCHF-HSZRJFAPSA-N 441.483 5.036 30 10 IKEE Cc1ccc(-c2ccc(Nc3c(C#N)cnn3-c3cc(C)c4cccc(C)c4n3)nn2)cc1 170547576 QSZUTVTUMWDEHD-UHFFFAOYSA-N 431.503 5.418 30 10 IKEE C=C1/C(=C\C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCCC(C)(C)O)C[C@@H](O)C[C@@H]1O 205488282 WKTIGYIYJKESCJ-DPHRMZSDSA-N 430.673 6.095 30 10 IKEE in-vitro COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/Oc3cc(C)c(C)cc3C2=O)c(C)c1 214011782 XCFWZMJJEWVFTG-CVKSISIWSA-N 436.511 6.089 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c(O)ccc3ccccc13)N2 226904817 HTSIDBQSLJNPIE-CWHUZLPRSA-N 427.588 7.721 30 10 IKEE COc1ccc(/C=C2/SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1O 252596789 CMKSGDKULPPFME-ZQXLJOGCSA-N 430.529 5.826 30 10 IKEE CC[C@@H](C)c1ccccc1OCCCOc1ccccc1C=NNc1ccc([N+](=O)[O-])cc1 254302663 ALPLUMUZFQUUBP-HXUWFJFHSA-N 447.535 6.402 30 10 IKEE CCCn1c(N=Cc2ccccc2NS(=O)(=O)c2ccc(C)cc2)nc2ccccc21 254410176 DUMHKXNXSGAPIM-UHFFFAOYSA-N 432.549 5.306 30 10 IKEE COc1ccc(C(C)=Nn2c(-c3ccc(F)cc3)csc2=NC2CCCCC2)c(O)c1 254671019 ZLKUZECIAXJDNY-UHFFFAOYSA-N 439.556 5.576 30 10 IKEE CC(C)COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccc(F)c2)c1 526516376 MWLBHFZEQKZOQW-RUZDIDTESA-N 442.490 5.789 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2cccc(Cl)c2)c1 526808242 FKZHJJQXQCBVMZ-PKAZHMFMSA-N 447.007 6.200 30 10 IKEE CCCCCCCOc1ccccc1/C=N\n1c(C)nnc1SCc1cccc(C)c1 526808541 VGBPPZYIXRIHKD-ITYLOYPMSA-N 436.625 6.419 30 10 IKEE CCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccccc1OCC(C)C 526811295 HENSSSJRBRWVQS-CFRMEGHHSA-N 428.989 5.703 30 10 IKEE CCCOc1ccc(/C=N\n2c(C)nnc2SCc2ccc(C#N)cc2)cc1Cl 526822341 HSPJOOUXAGGLTM-CFRMEGHHSA-N 425.945 5.075 30 10 IKEE C=C(C)CN(c1cccc(OC(F)(F)F)c1)S(=O)(=O)c1ccc(OC(C)C)cc1 586256590 YKZDJDLKWHMFER-UHFFFAOYSA-N 429.460 5.144 30 10 IKEE C=C(CC)C[C@H](NCCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 693692326 HNMLLQMKUOLLPY-QHCPKHFHSA-N 429.649 5.270 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)CC1(C)C 698373418 TYFWPLWFYOBJGU-DEOSSOPVSA-N 435.609 5.628 30 10 IKEE COCc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)cc1 698441548 BCBJDLXXQAFTSX-LJQANCHMSA-N 431.330 5.602 30 10 IKEE COc1cc(F)cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)c1 698498497 VAJMBIZKDIKJHF-SFHVURJKSA-N 435.293 5.603 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@]1(C#N)CCc2c(Br)cccc21 710735294 LKYMLMHSEOXGJV-NRFANRHFSA-N 447.760 6.209 30 10 IKEE Brc1cc(C=Nc2ccc(Nc3ccccc3)cc2)oc1N1CCOCC1 1083991099 QNHSMYYPQSDORP-UHFFFAOYSA-N 426.314 5.373 30 10 IKEE CN1C(=O)C[C@H](C(=O)Nc2cccc(Cl)c2)SC1=Nc1cc(Cl)cc(Cl)c1 1084130589 LDZWVSNWQILZJU-OAHLLOKOSA-N 442.755 5.237 30 10 IKEE Cc1cc(Br)ccc1N=C1NC(=O)/C(=C\c2cccn2-c2ccccc2)S1 1084470170 NUCPJAZKIVQUHB-CPNJWEJPSA-N 438.350 5.440 30 10 IKEE O=C1N=C(NN=Cc2ccccc2)S/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 1772724464 VREQQQYKZOCYHW-ZUUPVBFUSA-N 441.434 5.559 30 10 IKEE C=CCN1NC(=NC(=O)c2ccc(Br)cc2)SC=C1c1ccc(Cl)cc1 1776003019 RFYPLGKDJZNHII-UHFFFAOYSA-N 448.773 5.337 30 10 IKEE FC(F)(F)c1ccc(-c2c(C(F)(F)F)cc(C(F)(F)F)cc2C(F)(F)F)cc1 1848368830 ILYXGSAKHOQTSU-UHFFFAOYSA-N 426.200 7.429 30 10 IKEE N#Cc1cccc(C(=O)NCc2ccc(OC(=O)C(c3ccccc3)c3ccccc3)cc2)c1 1859036144 BYEIVOLZJKBHPE-UHFFFAOYSA-N 446.506 5.226 30 10 IKEE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(OCc2ccc(C#N)cc2)c1 1860118615 LIVAASMUTZPVGI-OAHLLOKOSA-N 441.314 5.850 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)/C=C/c1ccc(OC)c(OC)c1 1861073278 ZBNUCQATTYNSNT-UZQAFXRVSA-N 446.632 5.259 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862412669 KKYGTYDGCLHGLA-QFIPXVFZSA-N 437.417 5.191 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCc2ccccc2)c1 1862429459 NSAXCGBLOFBUBE-QHCPKHFHSA-N 431.919 5.469 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@@H]1c1ccc(F)cc1)c1ccccc1Cl 1862430762 RDVGAMYOCIODBV-HSZRJFAPSA-N 449.909 5.690 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(Cl)cc1 1862432146 XODDGLDHGKGOJD-FQEVSTJZSA-N 448.346 5.387 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1cccc(F)c1)c1cccc(Cl)c1 1862445564 YRHGJSPGDHQYNQ-NRFANRHFSA-N 427.903 5.780 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1cccc(Cl)c1)c1cccc(Cl)c1 1862445928 HMHHENMFDOVRBR-FQEVSTJZSA-N 439.298 5.167 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCC(C)C)cc1 1862447673 VZRWADIFSFFOOS-OAQYLSRUSA-N 427.928 5.363 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2ccccc2C)ccc1F 1862506838 BHCZHWINDCDLQD-RUZDIDTESA-N 443.518 5.654 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1F)c1cccc2ccccc12 1862650585 YSFAQHYAWFDSBG-VWLOTQADSA-N 437.470 5.757 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc(O)c(O)c2)cc1 1862664424 ZUWFINIEGIQETO-MYRUOYEDSA-N 449.547 5.378 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc2c(c1)CCCN2C 1862667504 CSJJVCKQIVUAIX-RUZDIDTESA-N 446.591 5.427 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc(OCC)c1 1862676531 LCVXTJGIQWJFNE-QFIPXVFZSA-N 425.500 5.383 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 1862688562 ZIHXHPXPTSLHCW-JOCHJYFZSA-N 433.891 5.127 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2Cc2ccccc2)c1 1862715387 NFSMGQNQFVWVSV-SANMLTNESA-N 449.506 5.627 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(C(=O)O)cc1 1862726837 PVRDMQFJEBGFHQ-QHCPKHFHSA-N 441.483 5.040 30 10 IKEE CCCOc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 1863344776 GPHZUIUWHAECCN-MBSDFSHPSA-N 443.547 5.118 30 10 IKEE CCCCCCCCNC1=C(c2ccc(F)cc2)C(=O)N(Cc2ccccc2F)C1=O 1863506102 HCZGPBGCUNNFHP-UHFFFAOYSA-N 426.507 5.195 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)NC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 1866029916 PDIINJWNQFNDQF-OCTBVAKPSA-N 433.721 7.448 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)c2c3c(nc4ccc(C)cc24)CCC3)c1 1866275704 PHEBGYZRZAXFIB-UHFFFAOYSA-N 445.522 5.695 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](CCCC)NC(=O)[C@@H](c1ccc(Br)cc1)C(C)C 1868855239 RIMCKBVLXAXVHO-LEWJYISDSA-N 449.433 5.064 30 10 IKEE N#Cc1nnn(-c2ccc(Nc3ccccc3)cc2)c1NC(=O)CCc1ccc(Cl)cc1 1870156013 RGKISUUMEGOALM-UHFFFAOYSA-N 442.910 5.107 30 10 IKEE C=CCn1cc(OCc2cc(=O)oc3ccc(C)cc23)c(=O)cc1CSC(C)(C)C 1870215210 QIAJGHFIJBXCCL-UHFFFAOYSA-N 425.550 5.060 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(C)cc2)cn1CCC1=CCCCC1 1870770032 SYMJDPCIIHHGIP-UHFFFAOYSA-N 432.608 5.800 30 10 IKEE CCCCCCCOc1cn(C[C@@H](C)O)c(CNc2cccc(C(C)(C)C)c2)cc1=O 1870836743 SXWACVKLTUSTSI-HXUWFJFHSA-N 428.617 5.488 30 10 IKEE CC(C)OCCCN1COc2ccc3c(c2C1)O/C(=C\c1c(Cl)cccc1Cl)C3=O 1871346201 OBHKVUFWWBNCQX-NHDPSOOVSA-N 448.346 5.577 30 10 IKEE Cc1cc(OC(=O)CC2CCCCC2)cc2c1C(=O)/C(=C/c1c(Cl)cccc1Cl)O2 1871380356 KKNLZEOYFYBWCF-BKUYFWCQSA-N 445.342 6.794 30 10 IKEE Cc1cc(O)c(CN2CCCc3ccccc32)c2c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O2 1871395636 YVISLLYJXUFLLV-QQXSKIMKSA-N 439.555 6.393 30 10 IKEE COc1cccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccc(C)cc4)cc(C)c3C2=O)c1 1871405601 DDIKRELJGAWGPL-SMNNTEATSA-N 443.499 5.334 30 10 IKEE CCOC(COc1cc(C)c2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O)OCC 1871415966 DMSKNTROSRPDJV-OCKHKDLRSA-N 437.319 5.696 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)c1 1871454004 DEMBMWQUTBFNJI-MCBOVYRESA-N 439.511 5.802 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@@H](C)CC)S(=O)(=O)CC 1871858773 ZHSOXFQNSQOKGA-CVDCTZTESA-N 444.597 5.060 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(C)c(C)c1)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 1871898983 DVPSHAHWOYPHOA-RUZDIDTESA-N 448.588 5.169 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccc(C)cc1 1872445881 PFVZHQSWLIFMLV-XMMPIXPASA-N 442.625 5.493 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NS(=O)(=O)c1ccc(Cl)cc1 1872612908 ISHVNSWOHWLPTL-NRFANRHFSA-N 431.042 5.044 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(NC(C)=O)cc3)n2)cc1 1872762579 QTRSTJTYTSNQFG-QFIPXVFZSA-N 431.561 5.530 30 10 IKEE CC(C)c1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 1872769206 MIDJCYRQXBSEGP-DNXKIMQPSA-N 441.383 7.130 30 10 IKEE CC(C)c1ccc(-c2csc([C@H](C#N)C(=O)CNC(=O)c3ccc(Cl)cc3)n2)cc1 1872775762 ZGAHPWNBIPZFHD-LJQANCHMSA-N 437.952 5.193 30 10 IKEE CCCCCCCOc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(OC)c3)n2)cc1 1872776315 NKSCWPLZUZTKQQ-HSZRJFAPSA-N 448.588 6.658 30 10 IKEE Cc1nc(SCc2cccc(C(=O)NCc3ccc(Cl)cc3)c2)c(C#N)c(C)c1C 1872893054 FGATVUZMRMMUJQ-UHFFFAOYSA-N 435.980 5.754 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(C)c(C)c2)=C(c2ccccc2)C1=O 1873413050 JGAUOQUNAUYHGH-UHFFFAOYSA-N 432.608 6.636 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)c(Cl)c2)=C(c2ccccc2)C1=O 1873415437 PNPBQYULNRAYHI-UHFFFAOYSA-N 428.935 6.032 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(OC)cc(OC)c2)=C(c2ccccc2)C1=O 1873415644 VDYPJNOABYTRQH-UHFFFAOYSA-N 436.552 5.256 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O 1873937189 ZZXZTUHMXGBJID-DEOSSOPVSA-N 449.595 5.143 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(Cc2cccc3ccccc23)nnc1SC 1874268218 MZIHGCQCGLBOIX-WPWMEQJKSA-N 438.556 5.788 30 10 IKEE CCCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1ccc(C(C)(C)C)cc1 1874296720 OWRLMDRJEHCGHB-LFVJCYFKSA-N 437.569 5.459 30 10 IKEE C=CCSc1nnc(Cc2ccc(OCC)cc2)n1/N=C/c1ccccc1OCCC 1874304124 JKKVZEDQXRNKMS-XIEYBQDHSA-N 436.581 5.217 30 10 IKEE COc1ccc(CCc2nnc(SCc3ccccc3)n2/N=C/c2ccc(C)cc2)cc1 1874305496 AFRSAZLMDBUCTB-OVVQPSECSA-N 442.588 5.555 30 10 IKEE Cc1ccc(OCc2nnc(SCCc3ccccc3)n2/N=C/c2ccco2)c(C)c1 1874327577 AKUNAONOGFJGSO-PCLIKHOPSA-N 432.549 5.284 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccc(C)c(C)c3)n2/N=C/c2ccco2)c1 1874358651 SLMFDQBBZNACEE-CVKSISIWSA-N 430.577 5.870 30 10 IKEE Cc1ccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccc(F)cc2F)cc1 1874406031 BPYYROWJEQPXET-JFLMPSFJSA-N 440.563 6.162 30 10 IKEE O=[N+]([O-])c1cccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccccc2)c1 1874407831 RJVNNVXHIPWCHX-LFVJCYFKSA-N 435.553 5.484 30 10 IKEE Fc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCc2ccccc2)c(F)c1 1874412178 GNXYRLCHSVFEGI-ZMOGYAJESA-N 426.517 5.383 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2ccc(F)cc2)nnc1-c1ccccc1 1874426464 JVUCSGAVMLBHJA-WPWMEQJKSA-N 444.535 5.824 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(-c2ccccc2)n1/N=C/c1ccccn1 1874428971 KOISIIHTAKNEFX-DHRITJCHSA-N 440.359 5.821 30 10 IKEE Cc1cccc(CSc2nnc(C3CCCC3)n2/N=C/c2cc(Cl)ccc2O)c1 1874454670 TXSDQPZHFBKNQV-ZMOGYAJESA-N 426.973 5.778 30 10 IKEE CCCCOc1ccc(/C=N/n2c(COC)nnc2SCc2cccc(Cl)c2)cc1 1874506065 LYSYDHKCNMTXCK-ZVHZXABRSA-N 444.988 5.431 30 10 IKEE Fc1ccc(Br)cc1/C=N/n1cnnc1SCc1cccc2ccccc12 1874539020 JSEOVEUILPWVOU-BHGWPJFGSA-N 441.329 5.507 30 10 IKEE O=C(/C=C/c1cc(Br)ccc1OCc1ccccc1)c1ccc(F)cc1F 1874577005 QVJAESXPBRNMFW-UXBLZVDNSA-N 429.260 6.202 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2c(OCc3cc(C)ccc3C)ccc3ccccc23)cc1 1874577705 BCJXULJOWPJXTA-WUKNDPDISA-N 436.551 7.330 30 10 IKEE CCc1ccc(NC(=O)COc2c(/C=C/C(=O)c3cc(C)ccc3C)cccc2OC)cc1 1874580578 UZYSIMDEIWZTAL-DTQAZKPQSA-N 443.543 5.788 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccccc2OCc2ccc(C)cc2)cc1 1874584352 JYGPPFIXSVFTTQ-DYTRJAOYSA-N 442.599 7.819 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1cc(Cl)ccc1OCc1cccc(C)c1 1874589184 XZDIPQJFSARJTH-VQHVLOKHSA-N 441.354 7.094 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2c(C)cc(C)cc2C)c1OCc1cccc(F)c1 1874590002 NQTHXADWIZEESV-CMDGGOBGSA-N 438.926 6.888 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3cc(C)cc(C)c3)c2)cc1 1874596353 MKMRMZVLOJJKAU-MDWZMJQESA-N 429.516 5.616 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)cc1 1874606534 SZQPOBWRIVYYMD-QGOAFFKASA-N 441.571 6.560 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)CC34CC5CC(CC(C5)C3)C4)c2)c(C)c1 1874702219 LFSRSCYGPOHSLA-VQHVLOKHSA-N 428.572 6.711 30 10 IKEE Cc1cc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(Br)cc3)c2)ccc1F 1874703857 LAUURVCUJCWJCI-LFYBBSHMSA-N 439.280 6.012 30 10 IKEE CCCCC(=O)Oc1cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)ccc1OC 1874712922 WRCWVTDLICOICH-GZTJUZNOSA-N 430.500 6.479 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc1OC(=O)c1ccccc1F 1874718351 NXAIZWYISXHCBA-JXMROGBWSA-N 440.854 5.612 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccccc1Cl 1875122090 QYQATRJFWRLGLZ-PKNBQFBNSA-N 427.283 6.117 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 1875129631 MFZISJFJTKAGIS-UFWORHAWSA-N 428.528 6.498 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1 1875143333 VHXRZGNSNRGEDI-ONNFQVAWSA-N 435.407 5.166 30 10 IKEE N#C[C@]1([C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C[C@H]2CC[C@H]1C2 1875689811 MKMYEDQDNCTYRY-NCOMLRJUSA-N 439.555 6.208 30 10 IKEE N#CC1([C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCCCCC1 1875689973 OEDXTWFJYQZAED-NDEPHWFRSA-N 441.571 6.742 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cc(C(F)(F)F)ccc3F)cc21 1891237400 QKPBIXKNGYVCDD-UHFFFAOYSA-N 436.405 5.034 30 10 IKEE C=C1C[C@@H]1CSC(C)(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1892320506 HDVSCNCOWTYTPX-OPAMFIHVSA-N 437.561 5.066 30 10 IKEE C=C(COCc1ccccc1)[C@@H](N)[C@H](O)c1ccc(-c2cccc(Br)c2)s1 1922064048 BFKSDMMWLQLWGG-FGZHOGPDSA-N 444.394 5.311 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)C1CCC(CNC(=O)OC(C)(C)C)CC1 1922078564 XRIQLKIEJVXDRV-FOJYNEPKSA-N 430.633 5.459 30 10 IKEE CC1(C)CC[C@@](C#N)(N(CC2CC2)C(=O)OC(C)(C)C)[C@@H](CNC(=O)OC(C)(C)C)C1 1927165136 KQZCTYWOQGFKTM-KOSHJBKYSA-N 435.609 5.247 30 10 IKEE CC[C@H](NC(=O)OC(C)(C)C)[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1cccc(OC)c1 1941060530 BZNIYROBEZDFIP-MBSDFSHPSA-N 433.549 5.022 30 10 IKEE CCCN[C@@H](CC#CC(C)(C)C)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1947486033 WRPMDNJTCDXVCH-XZOQPEGZSA-N 430.633 5.294 30 10 IKEE C=C(CC)C[C@H](NCCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997460115 WCWQOWNYIAABJP-JYFHCDHNSA-N 430.633 5.555 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)cc1 2022133054 FNIBKOBQVURJPO-NTKDMRAZSA-N 429.561 5.276 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2042149670 PMJVPPKCAQBQCT-CZKAHXPPSA-N 447.551 5.352 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)CCC12CCC2 2057363997 BFEDLYVTVLCWEK-VWLOTQADSA-N 447.620 5.772 30 10 IKEE CC(C)Oc1ccc([C@@H](n2nc(C(F)(F)F)c(C#N)c2Br)C2(C)CC2)cc1 2080062986 WSTNGAPORRDARD-MRXNPFEDSA-N 442.279 5.713 30 10 IKEE CCOc1ccc([C@H](n2nc(C(F)(F)F)c(C=NO)c2Br)C2(C)CC2)cc1 2080113791 PRKHGGAFRKUVGD-HNNXBMFYSA-N 446.267 5.261 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@]1(C#N)CCN(Cc2ccccc2)CC12CCC2 2098715324 ZRRVIIIYBQIEIQ-MHZLTWQESA-N 449.570 5.906 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@H]1Nc1cc(Br)cc(F)c1C#N 2107451550 PQTSVVGWABOBST-HZPDHXFCSA-N 426.330 5.098 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)cc(Br)c1)NCCC 2110500021 FYSOARNSXDBZSE-QZTJIDSGSA-N 445.829 5.483 30 10 IKEE N#Cc1ccc(OCc2ccc(I)c(Cl)c2)c(Br)c1 2142992300 YSDFNFRGAOKDJD-UHFFFAOYSA-N 448.485 5.158 30 10 IKEE C=C1C[C@@H]1C[C@@H](NCCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2158690299 XAMHJFFNSAXSCM-MISYRCLQSA-N 437.422 5.219 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(C)c(Br)cc1C 2201064800 ZYIFUIBEEGYEPS-UXHICEINSA-N 437.422 5.413 30 10 IKEE CCCCCCCCC[C@@H](CO)N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 2211083909 JRWARKBHTIIYHA-QHCPKHFHSA-N 449.635 6.902 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@@](C)(CNC(=O)OC(C)(C)C)C(F)(F)F)NCC 2216270137 CGDQQHYBXWUAAB-UGKGYDQZSA-N 444.538 5.221 30 10 IKEE CC(C)(C)OC(=O)Nc1cc([C@@H](O)C#Cc2ccccc2Br)ccc1Cl 2227487088 ZEJGUYITBSYIBZ-SFHVURJKSA-N 436.733 5.535 30 10 IKEE CCCCCCC[C@@H](N)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229110700 FFBXZBSRLWYEFU-RTBURBONSA-N 427.427 5.573 30 10 IKEE CC1(C)OB([C@H]2CCCN(Cc3c(Br)sc4ccccc34)C2)OC1(C)C 2233006162 OSMFZMAITCNWAQ-AWEZNQCLSA-N 436.224 5.722 30 10 IKEE COc1ccccc1C(=O)Oc1ccc2c(c1C)OC(=Cc1cn(C)c3ccccc13)C2=O 2296872023 QLBSSUNCONHWPN-UHFFFAOYSA-N 439.467 5.331 30 10 IKEE COc1cc(C=C2CCCC(=Cc3cc(Cl)c(O)c(OC)c3)C2=O)cc(Cl)c1O 2297455841 HVOVCVCXCXFKMY-UHFFFAOYSA-N 435.303 5.642 30 10 IKEE CCCCCCCCC=CCCCCCCCC(=O)N[C@@H](CCCC(=O)O)C(=O)O 2297623777 PDUXIYCRIXJPLF-NRFANRHFSA-N 425.610 5.848 30 10 IKEE C=CC[C@](C)(CC)[C@@H](O)c1sc(Br)c(Br)c1Br 2304124226 BSVZJKUXVHRMGF-JQWIXIFHSA-N 447.030 6.061 30 10 IKEE CCOc1ccc(-n2c(C)cc(C=C3SC(=Nc4ccc(F)cc4)NC3=O)c2C)cc1 2313557773 LRMAQOOORHMVFP-UHFFFAOYSA-N 435.524 5.524 30 10 IKEE Cc1cc2c(cc1C)C(=O)C(=Cc1cn(-c3ccccc3)nc1-c1ccc3c(c1)C[C@H](C)O3)O2 2314519328 JFJJWMNCMMYXAO-IBGZPJMESA-N 448.522 6.096 30 10 IKEE CCN1C(=O)C(=Cc2c(Cl)cccc2Cl)SC1=Nc1ccc(C(=O)O)c(O)c1 2314927017 XLGKOPXQNRLUAS-UHFFFAOYSA-N 437.304 5.021 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2)Oc2c1ccc1c2CN(Cc2nc3ccccc3[nH]2)CO1 2322192694 HAGYXYAHOFUTIR-UHFFFAOYSA-N 443.890 5.185 30 10 IKEE CCOc1ccc(C=Nn2c(S)nnc2CCCOc2cc(C)c(Cl)c(C)c2)cc1 2322286297 DYWFYGLDKZBXFH-UHFFFAOYSA-N 444.988 5.130 30 10 IKEE CCc1ccc(NC(=O)COc2c(C=CC(=O)c3ccc(CC)cc3)cccc2OC)cc1 2322371128 FPTSZAUOYRWHNZ-UHFFFAOYSA-N 443.543 5.734 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(Cl)cc2Cl)c1OCc1cccc(C)c1 2322391201 JUYZNOSIJIPNPC-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE O=C(C=Cc1cc(Br)ccc1OCc1cccc(F)c1)c1ccc(Cl)cc1 2322528373 MKGLYOCHKAXQFI-UHFFFAOYSA-N 445.715 6.717 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccccc1OCC(=O)NCc1ccco1 2322766959 IPVKLTXMYDWCPU-UHFFFAOYSA-N 447.531 5.177 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCc3ccccc3C)ccc3ccccc23)c(C)c1C 2322818676 CBRVEZLBBFUPAZ-UHFFFAOYSA-N 436.551 7.249 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 2323802806 PTFLGZKZEPURAT-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE Cc1sc(NN=Cc2cc(Cl)c(OCC(C)C)c(Cl)c2)nc1-c1ccccc1 2323858615 SWKQKCAQMOFTGX-UHFFFAOYSA-N 434.392 6.906 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)cc1 2323921368 RBTDDDHUJPCVQW-UHFFFAOYSA-N 443.543 6.006 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 2323943732 VUZHTLDVQJVIMX-UHFFFAOYSA-N 447.487 5.704 30 10 IKEE C=CCN(CC=C)Cc1c(O)cc(C)c2c1OC(=Cc1ccc(Cl)cc1Cl)C2=O 2324082648 XVYKBBVDPFTQLF-UHFFFAOYSA-N 430.331 5.798 30 10 IKEE CCOc1c(Br)cc(C=CC(=O)c2ccc(F)c(F)c2)cc1Br 2324241346 GNGYKZCKNBTCRC-UHFFFAOYSA-N 446.085 5.785 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc(Cl)c2)cc1)c1ccc(Oc2ccccc2)cc1 2324280997 LAFIOAMPHNLTBC-UHFFFAOYSA-N 440.926 7.607 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)Nc2ccc(F)cc2)cc2c1C(=O)C(=Cc1cccc(F)c1)O2 2324317541 HXZJLETVIFCTNY-HNNXBMFYSA-N 435.426 5.295 30 10 IKEE Cc1ccccc1C=C1Oc2cc(O[C@H](C)C(=O)Nc3cccc(Cl)c3C)ccc2C1=O 2324430289 KTLWOZXMORCRTA-QGZVFWFLSA-N 447.918 5.979 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCCOc4ccc(C(C)(C)C)cc4)c3C)C2=O)cc1 2324690517 YKYWSAHGGFLMFY-UHFFFAOYSA-N 442.555 6.675 30 10 IKEE COc1ccccc1C=C1Oc2cc(OCCOc3cccc4ccccc34)ccc2C1=O 2324693717 LPWSKWXPTWRCSL-UHFFFAOYSA-N 438.479 5.922 30 10 IKEE CCCOC(=O)[C@H](CC)Oc1ccc2c(c1)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2325079259 NKKLVSMOHVOHGU-SFHVURJKSA-N 435.303 5.720 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1ccccc1Cl)C2=O 2325141815 WLPICRHZJHMSAW-QGZVFWFLSA-N 447.918 5.979 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)CCc3ccc(OC)cc3)c2)cc1 2325735013 MICSYVWMNDLYIM-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE COc1ccccc1OCC(=O)Oc1cccc(C=CC(=O)c2ccc(C(C)C)cc2)c1 2325750766 SNTZGFHQUMOKIW-UHFFFAOYSA-N 430.500 5.699 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1OC(=O)[C@H](C)c1ccccc1 2325755412 ZJIVVKKOZCUEJO-HXUWFJFHSA-N 444.527 5.926 30 10 IKEE CCSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1cccc(F)c1 2325883165 NYEGDEYZGHGOCH-UHFFFAOYSA-N 434.540 5.576 30 10 IKEE CCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1ccc(OC)c(OC)c1Cl 2326442471 DOYPUOXCKWZETF-UHFFFAOYSA-N 444.988 5.302 30 10 IKEE CCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(N(CC)CC)cc1 2326546366 CVIOOXQMSKGFJU-UHFFFAOYSA-N 428.005 5.515 30 10 IKEE CCCOc1ccccc1C=Nn1c(CC)nnc1SCc1ccc(Cl)cc1Cl 2326705769 IDOQZXGEARMQQP-UHFFFAOYSA-N 449.407 6.111 30 10 IKEE CCSc1nnc(CCCOc2ccccc2C)n1N=Cc1ccc(C(F)(F)F)cc1 2327082550 ZVKVSMCMCGSBGD-UHFFFAOYSA-N 448.514 5.611 30 10 IKEE Cc1ccc(CSc2nnc(COc3c(C)ccc(C)c3C)n2N=Cc2ccc[nH]2)cc1 2327239147 POKSQKMOSPRQLS-UHFFFAOYSA-N 445.592 5.593 30 10 IKEE CCCSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1cn(C)c2ccccc12 2328568853 NDBGIGXEXJICMT-UHFFFAOYSA-N 433.581 5.144 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccccc1O 2329076990 ZHFWDXBOFZSQMF-UHFFFAOYSA-N 448.979 5.711 30 10 IKEE Clc1ccccc1-c1nnc(SCc2cccc3ccccc23)n1N=Cc1ccco1 2329603293 DOPVZRVYIPTKIR-UHFFFAOYSA-N 444.947 6.519 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(-c2cccs2)n1N=Cc1ccc[nH]1 2330590483 VBIZKYLRKONOEV-UHFFFAOYSA-N 434.377 5.816 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1ccccc1 2330695634 IVNUVKKTLGCBQR-UHFFFAOYSA-N 426.512 6.079 30 10 IKEE COc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2cccc(Cl)c2)cc1O 2330873308 PUNVMLORKFCLGH-UHFFFAOYSA-N 444.988 5.409 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(C)c3)cc2OC)cc1 2330880161 IJZCIOTXYFGFOB-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE C[C@H](C(=O)Oc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1)c1ccccc1 2330884194 DUUPPQQGGZOTBV-KRWDZBQOSA-N 435.317 6.054 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2)c(OC)c1 2331138293 FZCYOSRVDHKCEF-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE Fc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C(F)(F)F)cc1 2331150039 ZLMOLQUKPJIBIY-UHFFFAOYSA-N 430.430 5.764 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)c1sccc1C 2331216500 GSMHVMMPXAOQRY-UHFFFAOYSA-N 436.529 5.806 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1ccc(F)c(F)c1 2331293076 OJEBLDPSMQUQSY-UHFFFAOYSA-N 448.465 6.126 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Br)c1OC(=O)C(C)C 2331325339 NDLGESPKEYJYIM-UHFFFAOYSA-N 431.326 5.532 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)Cc1ccc(C)c(C)c1 2331329759 BMBQJELCCSZJOR-UHFFFAOYSA-N 428.528 5.973 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1ccc(OC(C)=O)cc1 2331349286 HMCSXRKZRVVRCC-UHFFFAOYSA-N 448.446 5.183 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(F)c3)cc2)cc1 2331451268 KKYCWQQRCIOUEO-UHFFFAOYSA-N 434.463 5.277 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)cc2F)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 2331562344 NYWQEQPTNNADKB-UHFFFAOYSA-N 445.324 5.267 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccc(CC)cc2)n1N=Cc1ccc(C(C)C)cc1 2331636880 BDVORAGBCPWLGP-UHFFFAOYSA-N 449.624 5.529 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OC(=O)COc3c(C)cccc3C)cc2)c1C 2331644766 XUQXZFSHRPLYFZ-UHFFFAOYSA-N 442.555 6.418 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc(F)cc1F 2331708742 RIFUTUQHTUKCMO-UHFFFAOYSA-N 441.334 6.161 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OC(=O)c2cccs2)c(Cl)c1 2331743488 DSEUVKWVVMEPAQ-UHFFFAOYSA-N 447.339 6.487 30 10 IKEE C=CCc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)c1cnccn1 2331780127 HLJMTXKPTCZVMO-UHFFFAOYSA-N 442.515 5.254 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)c(OC)cc2C)cc(OC)c1OC(=O)CCCC 2331854504 CPYVHWXPBIFRAA-UHFFFAOYSA-N 436.548 6.041 30 10 IKEE CC1(C)OB(c2cc(Cl)cnc2Oc2ccc(Cl)cc2Br)OC1(C)C 2339439276 SSXILQZIQQUJIB-UHFFFAOYSA-N 444.949 5.242 30 10 IKEE Cc1scc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1B1OC(C)(C)C(C)(C)O1 2343505294 DKKHSJOHENQPKY-UHFFFAOYSA-N 449.381 5.187 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H](Nc2cc(Br)ccc2C#N)[C@H]1C(F)(F)F 2370056229 DECDYMRZDLXFQI-HIFRSBDPSA-N 448.283 5.063 30 10 IKEE CO/C(=N/[C@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl)c1ccc(C)cc1 2686540 NTSSBJCZIZYUSP-LGVXEURYSA-N 430.788 5.071 30 10 IKEE C=CCN1C(=O)/C(=C\c2cn(Cc3cccc4ccccc34)c3ccccc23)SC1=S 6192616 CYBJUOYFIFZCOW-BUVRLJJBSA-N 440.593 6.230 30 10 IKEE C=CCN(CC=C)C(=O)c1ccc(-n2nc(C(=O)OCC)cc2-c2ccc(CC)cc2)cc1 23435569 FPXJRZLSRXGBID-UHFFFAOYSA-N 443.547 5.093 30 10 IKEE COc1ccc(C(=O)Oc2ccc(F)cc2C(=O)/C=C\c2ccccc2Cl)cc1OC 33441993 GKRICMIIILGUKA-YFHOEESVSA-N 440.854 5.612 30 10 IKEE COc1ccc2cc(C(=O)/C=C\c3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)ccc2c1 34896457 FCXKTSWSJZFHKR-DHDCSXOGSA-N 438.483 6.421 30 10 IKEE COc1ccc(-c2cc(/C(C)=N\OCc3ccc(F)cc3)c(C)n2-c2cccc(C)c2)cc1 35843391 RWFBDSRFTGHMNZ-COEJQBHMSA-N 442.534 6.850 30 10 IKEE C=CCOC(=O)C1=C(C)N(Cc2ccc(F)c(F)c2)C(=O)C[C@H]1c1ccc(Cl)cc1 37577362 BSECAYXAXSLNAE-SFHVURJKSA-N 431.866 5.138 30 10 IKEE CCCCn1c(O)c(C(=O)c2sc3cccc(Cl)c3c2Cl)c(C)c(C#N)c1=O 38616651 KHDROQFCYJHVPU-UHFFFAOYSA-N 435.332 5.287 30 10 IKEE O=C1/C(=C/C=C/c2ccccc2[N+](=O)[O-])S/C(=N/c2nccs2)N1C1CCCCC1 39865122 ISTRRHWFBOJBLT-VDBCIDTLSA-N 440.550 5.544 30 10 IKEE C=CCOc1cccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccccc2)c1 39878247 RJFLVSFMEZIYIT-VWLOTQADSA-N 437.495 5.724 30 10 IKEE C=CCOc1ccc([C@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CC=C)cc1OCC 39910823 ABKRMNGEFARPRY-QHCPKHFHSA-N 445.515 5.105 30 10 IKEE C=CCc1ccccc1OCCCn1c(CCCNC(=O)c2ccco2)nc2ccccc21 40205500 GTWNCQUKTVOEKL-UHFFFAOYSA-N 443.547 5.190 30 10 IKEE C=CCc1ccccc1OCCCn1c(COc2ccc(C(C)C)cc2)nc2ccccc21 40235733 XMNMZJDEILIKIT-UHFFFAOYSA-N 440.587 6.936 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OCc4ccc([N+](=O)[O-])cc4)c3C)C2=O)cc1OC 41501381 XKHXENIJAOUSSL-QRVIBDJDSA-N 447.443 5.116 30 10 IKEE C=Cc1ccc(COc2ccc3c(c2C)O/C(=C\c2ccc(-c4ccccc4)cc2)C3=O)cc1 41504489 MRJHKZKXMBOJNC-CEUNXORHSA-N 444.530 7.500 30 10 IKEE Cc1cccc(/N=C(\O)N2CCN(C3=Nc4ccccc4Oc4ccccc43)CC2)c1C 82050483 OAVSILUWQJDZJW-UHFFFAOYSA-N 426.520 5.351 30 10 IKEE CN1C/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)/C(=C\c2ccc(Cl)cc2Cl)C1 98064397 KWBRNOSZNAIKEZ-IMOXEJQSSA-N 427.158 6.282 30 10 IKEE CCCCCCCOc1cccc(NC(=O)[C@@H](CC)Oc2ccc(-c3ccccc3)cc2)c1 100246476 PXUDNHYSOGLSIH-MUUNZHRXSA-N 445.603 7.499 30 10 IKEE CCCCCCC[C@@](O)(c1ccc(OCC)cc1)[C@@H](CN1CCOCC1)c1ccccc1 101662244 BDHOAVLJCSZZQQ-WUFINQPMSA-N 439.640 5.749 30 10 IKEE CCCCCCCCCCn1c([C@H](C)NC(=O)c2cccc(Cl)c2)nc2ccccc21 102225187 JBTJCKBPWRFEEM-FQEVSTJZSA-N 440.031 7.321 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(OC(C)C)c2)c(C)c1 169981313 ZTHNWBAFVYELDV-DEOSSOPVSA-N 449.547 5.312 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccncc1 170021978 OEQKFMSCAJKUBJ-QFIPXVFZSA-N 443.890 5.308 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2ccccc2)c1 170047450 POWYVEPULKGNSM-XMMPIXPASA-N 427.500 5.485 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(C)o2)c1 170099594 VLOSZMWRCIVBBU-NRFANRHFSA-N 437.879 5.423 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1C1CCCC1 170125993 VFCLVOOMGJYHPE-DEOSSOPVSA-N 431.532 5.095 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCCOC(C)C)c1 170148167 PYESWAMMXKVSAI-OAQYLSRUSA-N 427.928 5.042 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1cccc(OC(C)C)c1 170153614 FJCKGFJINBIICD-DEOSSOPVSA-N 449.591 6.068 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2cccs2)cc1 170158090 BMILJOLJLBUSGJ-QHCPKHFHSA-N 447.556 5.937 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccncc2)cc1C 170200908 VQTYQOWNMOGLHK-XMMPIXPASA-N 442.515 5.270 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@H]1c1ccncc1 170202593 BBEHLDNUJPGAFG-QHCPKHFHSA-N 442.515 5.107 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccccc2)c1 170224516 LTKULNLNXSQPGO-QFIPXVFZSA-N 449.890 5.227 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1ccccc1C 170273205 VTTUMAZPFYFTJN-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2ccccc2O)o1 170301064 PWTXKDBZCFXGNB-QHCPKHFHSA-N 425.440 5.230 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2sccc2C)c1 170315420 UHLNHAUESDZFCM-OAQYLSRUSA-N 449.528 5.165 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1Cc1ccccn1 170316509 QOQJVGZENJGYQZ-NRFANRHFSA-N 448.544 5.017 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2CCC)c1 170323578 COTRIRBOQXPIMO-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(N(C)C)cc2)cc1 170378396 SWTSRMXVDKOGLE-XMMPIXPASA-N 441.531 5.054 30 10 IKEE CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1cccc(Oc2ccccc2)c1 170455977 ZPLQORGXHSGQAS-QHCPKHFHSA-N 431.463 5.743 30 10 IKEE COc1ccc(CN2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])SC2=Nc2ccccc2)cc1 252625936 QSHQBXVYRIWIJZ-LAJNNLEESA-N 445.500 5.408 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1cccc(F)c1 526814401 QFXJEIGPCQKLHQ-MSXFZWOLSA-N 437.371 6.241 30 10 IKEE CCCCOc1ccc(/C=N\n2c(CCC)nnc2SCc2ccccc2Cl)cc1 526816849 OLWROQDJGCOABU-XYGWBWBKSA-N 443.016 6.237 30 10 IKEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1ccc(OCC)cc1 526828401 CMHDAVQZWNYOMR-HAHDFKILSA-N 439.541 5.102 30 10 IKEE C=CCN(c1cccc(OC(F)(F)F)c1)S(=O)(=O)c1ccc(CCCCCC)cc1 586235807 GOEGESGGPQMDNF-UHFFFAOYSA-N 441.515 6.089 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)CC1(C)C 698373421 TYFWPLWFYOBJGU-XMMPIXPASA-N 435.609 5.628 30 10 IKEE C[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)c2ccccc21 698402775 BBKCGQZYNBVNBE-QRQCRPRQSA-N 427.342 6.117 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1cccc(O)c1Cl 698455748 LOCKCCQUTIUZAR-OAHLLOKOSA-N 437.721 5.814 30 10 IKEE C[C@@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)CN1C(=O)OC(C)(C)C 698882668 FJASQLHULSSGDK-MWTRTKDXSA-N 449.979 5.763 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 699659010 LYUSMQRLXPTZDP-UQBPGWFLSA-N 443.588 5.666 30 10 IKEE C#Cc1cccc(NC(=S)/C(=C(/O)c2cccc(C(F)(F)F)c2)[n+]2ccccc2)c1 783695076 SHYMOIOLLCFXFN-UHFFFAOYSA-O 425.455 5.298 30 10 IKEE CCC(C)=NNc1nc2cc(C)c(NC(=O)COc3ccc(Cl)cc3C)c(C)c2s1 1081379603 KFOSDEDQPLKYFD-UHFFFAOYSA-N 444.988 6.090 30 10 IKEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CCC[C@H]1CC 1358880796 SYCJBMVPSQPBPF-LZLYRXPVSA-N 445.405 5.000 30 10 IKEE COc1ccc(CCN2/C(=N/c3ccc(C)cc3)S[CH][C@H]2c2ccc(C)cc2)cc1OC 1614593718 OFWGSOGQQVNEBU-GUMONVLZSA-N 445.608 6.503 30 10 IKEE C=CCOc1ccc(/C=C2/SC(=Nc3nnc(C)s3)N(C3CCCCC3)C2=O)cc1 1772737638 MNNSYXSTFFCTGL-VUARGGTQSA-N 440.594 5.348 30 10 IKEE CO/N=C1\C[C@@H]2[C@H](CC[C@]3(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]23)[C@@]2(C)CC[C@H](O)C[C@H]12 1848439898 UGTRJIWOVLGRJU-YNOJPFOWSA-N 431.705 7.081 30 10 IKEE CC(C)(C)c1ccc(NC(=O)c2nc(C(=O)Nc3ccc(C#N)cc3)c3ccccn23)cc1 1858245110 RFWVZWLEYLFWIA-UHFFFAOYSA-N 437.503 5.008 30 10 IKEE CCCCCCCCCCNC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)c(=O)cc1O 1859577989 VDDXRDXTJDEZAI-UHFFFAOYSA-N 440.371 5.115 30 10 IKEE CCc1nc2c(Br)cccc2c(C(=O)Nc2sc(C)c(C)c2C#N)c1C 1859647580 XBTYTVBIXQXULS-UHFFFAOYSA-N 428.355 5.670 30 10 IKEE Cc1ccc2oc(C(=O)Nc3c(C#N)cnn3-c3cc(C)c4cc(C)cc(C)c4n3)cc2c1 1859750847 SRAGXASJJOEWGF-UHFFFAOYSA-N 435.487 5.524 30 10 IKEE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)Nc1sc2c(c1C#N)CCCC2 1859759267 BKWNVLBEWYJGFD-UHFFFAOYSA-N 442.371 6.428 30 10 IKEE N#Cc1cccc(C(=O)N2CCC(c3ccc(OC(=O)Nc4ccccc4)cc3)CC2)c1 1860706012 SYUQJMKHUPCVCL-UHFFFAOYSA-N 425.488 5.189 30 10 IKEE CCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)COc1ccc(OC)cc1C(C)(C)C 1861624135 SRYCCLLDODCEEB-AREMUKBSSA-N 448.648 5.133 30 10 IKEE N#Cc1ccc(NC(=O)c2cc(CCc3ccccc3)n(Cc3ccc(Cl)cc3)n2)cc1 1862328837 BACHBZOAQAPBKT-UHFFFAOYSA-N 440.934 5.494 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cccc(F)c1)c1ccc(Cl)cc1Cl 1862382064 KMXODVNGKGBHLS-FQEVSTJZSA-N 448.321 6.044 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862468879 ZRLMQGASLIQKKQ-XOBRGWDASA-N 442.353 5.388 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cc(Cl)cc(Cl)c1 1862481457 ALVAJZMLMUKUMC-HXUWFJFHSA-N 432.347 6.070 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(OCC)cc1 1862492958 DUFBZBFOZMZNDF-DEOSSOPVSA-N 435.564 5.861 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccccc2)cc1 1862514589 MVXTVAHPTKMNGF-DEOSSOPVSA-N 433.548 5.777 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(OCCCC)cc1 1862537737 CAGOOFARWUXTMV-VWLOTQADSA-N 449.591 6.196 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862539950 CKHBNVNAGVNHSZ-CLOONOSVSA-N 449.591 6.195 30 10 IKEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2ccc(C)cc2)cc1 1862589397 KOSYLIMGSAHDGK-XDHUDOTRSA-N 443.499 5.049 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2cccc(Cl)c2)c1 1862592161 WODKVNNIKSBNHD-QFIPXVFZSA-N 433.891 5.133 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2cccc(F)c2)cc1 1862614755 DPVMAENXDIRQIE-XMMPIXPASA-N 443.518 5.902 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccccc1C(=O)O 1862616878 UICKUWLTKIQVTD-JOCHJYFZSA-N 449.547 5.307 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2F)cc1 1862617850 ZBGGETBXQLEIES-QFIPXVFZSA-N 449.547 5.963 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2Cc2ccccc2)c1 1862652356 HIXFOTZOZIDBEK-AREMUKBSSA-N 449.506 5.627 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2[C@@H](C)CC)c1 1862654253 KMVOFSXVWPCIFE-XDHUDOTRSA-N 429.516 5.615 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(Cl)cc1 1862660811 MUCLQKAUEULUAB-QFIPXVFZSA-N 441.955 5.467 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2cccc(F)c2)cc1 1862662829 LRWLNHMNDAROKS-XMMPIXPASA-N 447.481 5.867 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CCCCC2)cc1 1862663012 NECNSIVHPDYDAI-DEOSSOPVSA-N 433.548 5.730 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)cc1 1862675218 FASBDVVVFOKIDD-HSZRJFAPSA-N 449.909 5.609 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@@H]2c2ccc(C)cc2)c1 1862698512 JCDABJGWOLGXQJ-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE N#Cc1ccccc1NC1=C(c2ccccc2F)C(=O)N(c2cccc3ccccc23)C1=O 1862922999 SGZSUKRKIWHPIO-UHFFFAOYSA-N 433.442 5.247 30 10 IKEE Cc1ccc(C)c(NC2=C(c3c[nH]c4ccccc34)C(=O)N(c3ccccc3C#N)C2=O)c1 1863136330 JAJIZQRZODNUHV-UHFFFAOYSA-N 432.483 5.053 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2Cl)=C(c2ccc(OC)cc2)C1=O 1863332872 LUJBIUSERJIJSL-UHFFFAOYSA-N 440.971 5.901 30 10 IKEE CCCCCCCCNC1=C(c2ccc(Br)cc2)C(=O)N(C2CCCC2)C1=O 1863554235 SZYYLKPARDHNFX-UHFFFAOYSA-N 447.417 5.422 30 10 IKEE CCCCCCCCNC1=C(c2ccc(OC)cc2)C(=O)N(Cc2ccccc2F)C1=O 1863669136 AAOKQHGQLGVRCF-UHFFFAOYSA-N 438.543 5.065 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2Cl)C(=O)N(Cc2ccccc2F)C1=O 1863776443 ASSCFHGYJGLIEO-UHFFFAOYSA-N 442.962 5.709 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)NCCCN1CCN(CC)CC1 1866030067 XJEZFOJDMTYBDH-UHFFFAOYSA-N 437.757 6.392 30 10 IKEE C=CCn1cc(OCC(=O)Nc2ccc([C@@H](C)CC)cc2)c(=O)cc1CSC(C)(C)C 1870183392 PYHDJJHSKQIEJV-SFHVURJKSA-N 442.625 5.597 30 10 IKEE CCCCCCCOc1cn(C[C@@H]2CCCO2)c(CNc2ccc(CC)cc2)cc1=O 1870833510 LTMBJIPBPTVRSS-DEOSSOPVSA-N 426.601 5.551 30 10 IKEE CCCCCCCOc1cn(CCN(CC)CC)c(CNc2ccc(C)c(C)c2)cc1=O 1870837774 XUVFMVDYIYHJMA-UHFFFAOYSA-N 441.660 5.768 30 10 IKEE CCCCCCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(Cl)cc1)C3=O 1871349057 OENMQNUCXGYHHL-HAHDFKILSA-N 439.983 6.777 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1cccnc1)C2=O)c1cccc(OCc2ccccc2)c1 1871388612 FSGVWYRKIAXDMI-WGARJPEWSA-N 449.462 5.496 30 10 IKEE Cc1c(O[C@H](C)C(=O)OC(C)C)ccc2c1O/C(=C\c1ccccc1Br)C2=O 1871401090 UCHWGFAAMBORRI-AXLWCPOOSA-N 445.309 5.093 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(O[C@H](C)C(=O)Nc4ccc(Cl)cc4)c3C)C2=O)c1 1871413942 FDUCTADLGFKVKW-NQRZERFFSA-N 447.918 5.979 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1cccs1)C2=O 1871424663 RTLXFZXTCSTXOI-BKUYFWCQSA-N 433.529 5.561 30 10 IKEE CCn1cc(/C=C2\Oc3c(ccc(OCc4ccccc4C#N)c3C)C2=O)c2ccccc21 1871437323 RTWZRBOVKLQUAJ-WGARJPEWSA-N 434.495 6.037 30 10 IKEE Cc1cc(OCCC(=O)Nc2ccccc2)cc2c1C(=O)/C(=C/c1ccc(Cl)cc1)O2 1871447169 OKNIOPAZMYMLLH-HMAPJEAMSA-N 433.891 5.672 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)S(=O)(=O)CCC 1872326669 RVEIZRDOEOSYPR-QHCPKHFHSA-N 436.662 5.659 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@@H](C#N)C(=O)CCCOc2ccc(C)cc2)n1 1872781445 TZNFKUVPXYWZIT-NRFANRHFSA-N 434.561 5.779 30 10 IKEE C=CCn1c(C(=O)Nc2cc(Cl)ccc2C)cc2c(NCc3ccc(O)cc3)ncnc21 1873641322 MBAPDBRQSZLRNX-UHFFFAOYSA-N 447.926 5.149 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2OCC)n1/N=C/c1ccccc1Cl 1874241013 KQGNGDYCVAENCC-ZMOGYAJESA-N 442.972 5.460 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1cccc(OC)c1 1874252401 KUIWMSYHRFOIAA-PCLIKHOPSA-N 436.581 5.157 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1cccc(OCC)c1 1874283266 YCQJJKMJDYRDOK-MFKUBSTISA-N 441.000 5.666 30 10 IKEE COc1ccc(CCc2nnc(SCc3ccccc3)n2/N=C/c2ccc(F)cc2)cc1 1874305921 WGNMBAVAEUYKDC-WPWMEQJKSA-N 446.551 5.386 30 10 IKEE COc1ccccc1/C=N/n1c(Cc2ccccc2)nnc1SCc1ccccc1C 1874416309 JJYCSHLWEANYDL-YZSQISJMSA-N 428.561 5.360 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2[C@@H]2CCCO2)cc1 1874451387 YKVFLGNLRIFPTR-NFCNUSAFSA-N 441.000 6.081 30 10 IKEE COc1cccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CCCC2)c1 1874456224 HXUSYSLAHMFUAT-WPWMEQJKSA-N 442.588 6.272 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(-c3ccco3)n2/N=C/c2ccc(Cl)cc2)cc1 1874465996 MFQLRRVSMMHOHV-WSDLNYQXSA-N 439.884 5.274 30 10 IKEE CCCOc1ccc(/C=N/n2c(CCOC)nnc2SCc2cccc(Cl)c2)cc1 1874473989 HCUNJXVFYCVKTJ-BUVRLJJBSA-N 444.988 5.084 30 10 IKEE CC(C)(C)c1nnc(SCCc2ccccc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874484035 AVENPVLLGHPWDC-CVKSISIWSA-N 432.515 5.811 30 10 IKEE O=[N+]([O-])c1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CCC2)cc1 1874497753 YNMWDOVMAPFOCE-WSDLNYQXSA-N 427.917 5.282 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1cc(Cl)ccc1O 1874535584 NTXJKGHYGSRNLC-ODCIPOBUSA-N 427.744 5.427 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccccc2Cl)c1OCc1c(Cl)cccc1Cl 1874575126 XAZOJZBQPVPHSD-OUKQBFOZSA-N 447.745 7.131 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2c(F)cccc2Cl)c(C)c1 1874579157 ZMVREBIHGFGBTM-JXMROGBWSA-N 429.318 7.224 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OCc1c(F)cccc1Cl 1874595212 ZNIGPGXWOHQNCF-PKNBQFBNSA-N 431.290 6.616 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OCc1ccc([N+](=O)[O-])cc1 1874598669 YHWRMOKFKMQUOJ-ONNFQVAWSA-N 425.387 5.357 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(Cl)c1OCc1ccccc1 1874603542 RQJTVPZVOHNXHB-SDNWHVSQSA-N 432.947 6.703 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OCC(=O)Nc1ccccc1C 1874608484 QXPNWHJDNKQGIF-ACCUITESSA-N 435.907 5.571 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1Cl)Nc1ccccc1F 1874608673 ATCPXPKSFCFUEP-PKNBQFBNSA-N 444.289 6.046 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCc3cc(C)ccc3C)c(Cl)c2)cc1 1874617289 UKZKVXWTEYGWRI-NTUHNPAUSA-N 434.963 7.221 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OCC(=O)NC3CCCCC3)c(Cl)c2)ccc1F 1874618647 LRIGNHOVCKELQD-YRNVUSSQSA-N 429.919 5.511 30 10 IKEE CCCOc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3cccc(OC)c3)c2)cc1 1874695112 LEFGPSSYVSKBKQ-NTCAYCPXSA-N 430.500 5.528 30 10 IKEE CC(C)(C)c1ccc(OCCCC(=O)Oc2cccc(/C=C/C(=O)c3ccccc3)c2)cc1 1874700273 JWHJXSWQEYKKNC-XMHGGMMESA-N 442.555 6.645 30 10 IKEE O=C(Oc1cccc(/C=C/C(=O)c2cccc3ccccc23)c1)c1ccc(F)c(F)c1F 1874707941 FDPLDKLMOKDLMV-SDNWHVSQSA-N 432.397 6.372 30 10 IKEE CC(C)COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 1875084892 FSDMEMIWLAZIRE-OVCLIPMQSA-N 445.471 5.745 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(C)c3)c(Cl)c2)cc1OC 1875098749 NYXAMTDOCAGBMI-JXMROGBWSA-N 436.891 5.781 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)c(C)c3)c(Cl)c2)cc1C 1875108446 PPLCVGKYXFWONK-UXBLZVDNSA-N 434.919 6.389 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)Cc2cc(C)ccc2C)c([N+](=O)[O-])c1 1875118717 KVWYNXJWIQMGHX-ZRDIBKRKSA-N 445.471 5.264 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)CC(C)(C)C)c(OCC)c2)cc1 1875130035 GNILKQYGQAMBPU-MDWZMJQESA-N 444.955 6.375 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 1875140118 QPLCCTZJYNFMLI-SOFGYWHQSA-N 444.571 6.330 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3F)c(OC)c2)cc1F 1875153667 RYBXQFFZUBTRSV-FPYGCLRLSA-N 442.389 5.236 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc4ccccc34)cc2Cl)c1 1875153954 HDIGBGHUMIBYJO-ZRDIBKRKSA-N 440.926 7.225 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc(OC)c1OC(=O)C1CCCC1 1875189201 DAQSRGKBKGAWME-JXMROGBWSA-N 449.330 6.002 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)c3ccccc3)cc2)c2ccccc12 1875190092 GBLVQVPHXFULAX-WORNYLJVSA-N 436.507 6.454 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)Nc3cccc(Cl)c3Cl)cc21 1891102828 HYHUSULEIJVZSB-UHFFFAOYSA-N 434.323 5.575 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(F)c(Br)cc1F 1894881745 PUWWUHQFIWFIMD-IRXDYDNUSA-N 433.337 5.237 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@@H](CNC(=O)OC(C)(C)C)CC(C)C)NCCC 1922072847 YJKCTMPNKOCJLY-BJKOFHAPSA-N 432.649 5.705 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 1949123731 WQBBCCGGHWBNMQ-KHCICDEESA-N 433.593 5.238 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(CC)CCCCN1C(=O)OC(C)(C)C 2007550083 HFULMLPSFICTSP-JYFHCDHNSA-N 430.633 5.697 30 10 IKEE C#CCN(C[C@H](NCCC)c1c(C)sc(C)c1Br)C(=O)OC(C)(C)C 2027395816 QUMAXUIURVWPDF-HNNXBMFYSA-N 429.424 5.038 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@@]1(C#N)CCC(F)(F)C[C@@H]1OCc1ccccc1 2043759097 QBPKCVIHJGYHNW-GHTZIAJQSA-N 449.502 5.591 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)c(Br)c1)NCCC 2063090201 LGUMLUOQTVQDAF-DLBZAZTESA-N 431.802 5.093 30 10 IKEE C=C([C@@H](N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(F)(F)F 2071353675 CBOYJQGQJFEWAC-DNQXCXABSA-N 443.465 5.324 30 10 IKEE N#Cc1c(C2CCCCC2)nn(Cc2ccc(F)c(Br)c2)c1Br 2080304140 QBPOFHRTSADNRT-UHFFFAOYSA-N 441.142 5.515 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@]1(C#N)CCN(Cc2ccccc2)CC12CCC2 2098718832 OQKWWTKZESDETB-MHZLTWQESA-N 449.570 5.906 30 10 IKEE C=CCC[C@H](C)[C@@H](NCCC)c1ccc(I)c(Br)c1 2102109698 AUJZSCIFMYDVQX-BLLLJJGKSA-N 436.175 5.697 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)[C@H]1[C@@H]2[C@@H]1CCC2(F)F 2119359422 NZSZCUJGBCOPRO-WCVJEAGWSA-N 427.289 5.374 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](CCNc1ccc(Br)cc1C#N)c1ccccc1 2162413861 HJNBJFBIRWHCIJ-IBGZPJMESA-N 430.346 5.389 30 10 IKEE CC(C)CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cc(Br)cc(C#N)c1 2174808265 LVKJQTYKFLNZOB-SFHVURJKSA-N 436.394 5.183 30 10 IKEE Cc1c(NC(=O)OC(C)(C)C)cccc1C(=O)Nc1ccc(Br)c(C#N)c1 2180961960 LRJLUEFAVNHACG-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE CCC(C)(C)N(CCC#N)C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2181047169 SUTVNVZBGPKIAG-UHFFFAOYSA-N 438.366 5.341 30 10 IKEE CC[C@@H]1CC=C(C(=O)[C@@H](Cc2ccc(Br)cc2)NC(=O)OC(C)(C)C)CC1 2181559577 FYUSSGYDIRGYPS-DNVCBOLYSA-N 436.390 5.591 30 10 IKEE CC(C)(C)OC(=O)NC(C)(C)[C@@H]1CCCCN1c1cc(Br)cc(F)c1C#N 2208033382 OPMWGRSOMMOMJC-KRWDZBQOSA-N 440.357 5.122 30 10 IKEE C=CCCCCCCCC(=O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2220082102 JUZQCJHDIUOKSM-MHZLTWQESA-N 443.628 6.316 30 10 IKEE N#Cc1cc(Cl)ccc1Nc1ccc(Br)cc1I 2223654994 VBRSPEQWWNQFGW-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Cl)cc1COc1cc(Br)cnc1C#N 2230987320 MLWGSMAUJXKXHM-UHFFFAOYSA-N 438.709 5.295 30 10 IKEE CN[C@@H](C#Cc1ccccc1Br)c1cc(Cl)ccc1NC(=O)OC(C)(C)C 2240813980 CYNCNQRSJOJMPN-SFHVURJKSA-N 449.776 5.762 30 10 IKEE CC1(C)OB(c2cscc2C(=O)N(Cc2ccccc2)CC2CCCCC2)OC1(C)C 2255659294 QAPUKXCPPIRRLC-UHFFFAOYSA-N 439.430 5.270 30 10 IKEE Cc1sc(C(=O)N(Cc2ccccc2)C2CCCC2)c(B2OC(C)(C)C(C)(C)O2)c1C 2255852535 FWBIZYJKPRYNRQ-UHFFFAOYSA-N 439.430 5.249 30 10 IKEE Cc1cc(NC(=O)OC(C)(C)C)cc(NC(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)c1 2255852988 KLHBUTSDXKYNKE-WKILWMFISA-N 430.354 5.153 30 10 IKEE N[C@H](C#Cc1cccc(Br)c1)c1scc(Br)c1Br 2264116305 MKKGXXLOTNPEPN-LLVKDONJSA-N 449.993 5.087 30 10 IKEE C=CC[C@@]1(COc2cc(Br)c(C)cc2N)CCCN1C(=O)OC(C)(C)C 2272086547 QTTKDJBPDAOSNF-FQEVSTJZSA-N 425.367 5.064 30 10 IKEE N#C[C@H](C(=O)c1scc(Br)c1Cl)c1ccc(Br)c(F)c1 2287165137 GSLLVOUETYTUDE-ZETCQYMHSA-N 437.515 5.556 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)C#CC1CCCCC1 2289649948 YZPKBBYKLWHQJC-IBGZPJMESA-N 434.374 5.038 30 10 IKEE C=CCCC1([C@@H](NCC)c2ccc(C)c(Br)c2)CN(C(=O)OC(C)(C)C)C1 2295988890 LQHOGYOAQQZFMN-IBGZPJMESA-N 437.422 5.611 30 10 IKEE CC(C)(C)OC(=O)NCC1(C[C@H](O)C#Cc2cccc(Br)c2)CCCCC1 2296216300 JCTLIFLWJWRFLI-LJQANCHMSA-N 436.390 5.027 30 10 IKEE CC(C)(C)OC(=O)N[C@]1(C)C[C@H]2CC[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)C1CCC1 2307591338 LTSIZLVJDPSCQN-SMGXNKOPSA-N 433.593 5.142 30 10 IKEE COc1ccc(Cl)cc1C=C1SC(=NCc2ccccc2)N(Cc2ccccc2)C1=O 2313511397 NTRYXUIJYKWNEW-UHFFFAOYSA-N 448.975 6.021 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1 2314438406 RNNFXJVBAWTWKL-UHFFFAOYSA-N 432.903 6.473 30 10 IKEE CC(=C1SC(=Nc2nnc(C)s2)N(c2ccccc2)C1=O)c1ccc(Cl)cc1 2314548490 UGAFVAMNMNRMIN-UHFFFAOYSA-N 426.954 5.699 30 10 IKEE Cc1cccc(C)c1NC(=O)CSc1nnc(C)n1N=Cc1ccc(Cl)cc1Cl 2321142993 APYLSPGVFXXHPB-UHFFFAOYSA-N 448.379 5.123 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2cc(C)cc(C)c2)cc1 2322362741 PJRYDOCGLFHPJM-UHFFFAOYSA-N 447.962 6.433 30 10 IKEE Cc1ccc(NC(=O)COc2ccccc2C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1C 2322467053 RZAXUIDZOBUGEF-UHFFFAOYSA-N 430.460 5.125 30 10 IKEE Cc1c(OC(=O)c2ccc(F)cc2)ccc2c1OC(=Cc1c(F)cccc1Cl)C2=O 2322781754 NWIVXMAATXIAKW-UHFFFAOYSA-N 426.802 5.762 30 10 IKEE Cc1cc(OC(=O)c2cccnc2)cc2c1C(=O)C(=Cc1ccc(-c3ccccc3)cc1)O2 2322810056 HRSCCFIVDKHNKV-UHFFFAOYSA-N 433.463 5.892 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)c3cc4cc(Cl)ccc4o3)ccc2C1=O 2322845567 JBDDUTXGYWVWKS-UHFFFAOYSA-N 430.843 6.230 30 10 IKEE O=C(C=Cc1cc(Br)ccc1OCCCO)c1cc(Cl)ccc1Cl 2322999466 OKSFZAMGKDQAOJ-UHFFFAOYSA-N 430.125 5.413 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OCc1c(F)cccc1Cl 2324172898 LPLYQQDYDMZADU-UHFFFAOYSA-N 438.926 7.086 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(OC)c1OCc1cccc(C)c1 2324172959 WJWVCWXHVFQKOW-UHFFFAOYSA-N 440.583 7.331 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(F)cc1 2324194983 MYBVPBVABSGFQU-UHFFFAOYSA-N 437.442 5.277 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Cl)c1OCc1cccc(Cl)c1 2324234707 BLCYGKOEDHEQOL-UHFFFAOYSA-N 449.280 6.755 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccc(F)cc4)cc(C)c3C2=O)cc1 2324317546 IFBSHOYRLJVSKY-KRWDZBQOSA-N 431.463 5.465 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(F)cc1 2324451748 WSBNKJCLVGCTJE-UHFFFAOYSA-N 438.926 6.970 30 10 IKEE Cc1cccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccc(Cl)cc4)cc(C)c3C2=O)c1 2324611344 FDHKGQVRGQHHNT-QGZVFWFLSA-N 447.918 5.979 30 10 IKEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)CN(Cc2ccccc2)C2(CCCCC2)C1 2325496756 KKCGWYOCBXKORU-MUUNZHRXSA-N 432.608 5.497 30 10 IKEE CCc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2OC)C3=O)cc1 2325722587 UJULFZGQGRYEKF-UHFFFAOYSA-N 443.499 5.200 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccccc1O 2326084005 ZTXJRNSOFDRUIK-UHFFFAOYSA-N 430.961 5.033 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1c(OCC)ccc2ccccc12 2326305213 FUVKIQDDCPVJMQ-UHFFFAOYSA-N 444.604 6.265 30 10 IKEE CCOc1ccc2ccccc2c1C=Nn1c(C)nnc1SCc1cc(C)ccc1C 2326589458 YWBKBZWRKQTVEV-UHFFFAOYSA-N 430.577 5.930 30 10 IKEE CCCOc1ccc(C=Nn2c(CC)nnc2SCc2cc(C)ccc2C)cc1OC 2326590603 HFUHFJIQBKRFAF-UHFFFAOYSA-N 438.597 5.429 30 10 IKEE CCCOc1cccc(C=Nn2c(Cc3cccc4ccccc34)nnc2SCCC)c1 2327779281 IEKGQSKQVQAZNL-UHFFFAOYSA-N 444.604 6.195 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccccc1Cl 2328056510 WAOMPWXTPCFNHS-UHFFFAOYSA-N 431.392 5.921 30 10 IKEE Clc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2ccncc2)cc1 2329102906 QFEZESXZDDXTEY-UHFFFAOYSA-N 433.968 5.134 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)cc3)n2N=Cc2ccc(O)cc2O)cc1 2329936274 PRIHATBXMUILAK-UHFFFAOYSA-N 444.560 5.071 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2cccc(F)c2)n1N=Cc1cccc(O)c1 2330078519 LIJCOJMQFBSXSB-QGZVFWFLSA-N 432.524 5.449 30 10 IKEE CCCNC(=O)CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1ccc(C(C)C)cc1 2330085933 NYBQNNUZWBCDEE-LJQANCHMSA-N 449.624 5.054 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1ccc(Cl)cc1 2330674935 OSLPWEVVWPCFGX-UHFFFAOYSA-N 442.898 6.617 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(CC)cc2)cc(OC)c1OC(=O)c1cccs1 2330767886 YKCXWAKAIZYUAK-UHFFFAOYSA-N 432.541 6.163 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)(C)C)n2N=Cc2ccc(F)cc2F)c1 2330846563 KVRRXBSOKKOPTE-UHFFFAOYSA-N 428.552 5.936 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Br)cc2)cc(OC)c1OC(=O)CCC 2330894533 WKIRKUNXWGRZHA-UHFFFAOYSA-N 443.337 5.788 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3cccc(C)c3)nnc2[C@H]2CCCO2)c1 2330929508 ZWRCIRNWANBGJC-JOCHJYFZSA-N 436.581 5.401 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2ccccc2C)nnc1C(F)(F)F 2331115493 CVEPQGHHBWXSDV-UHFFFAOYSA-N 432.471 5.345 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cccc(Cl)c3)cc2Cl)cc1 2331123069 YXPKMWZAUUSDQD-UHFFFAOYSA-N 441.310 6.507 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)C(C)(C)C)c(OC)c2)cc1 2331294112 QUDSLIYYMWFJEY-UHFFFAOYSA-N 430.928 5.985 30 10 IKEE CCCCCOc1ccc(C=Nn2c(CCCC)nnc2SCC(=O)OCCC)cc1 2331356159 VUJSCPNVZZCGRQ-UHFFFAOYSA-N 446.617 5.117 30 10 IKEE COC(=O)c1ccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2C2CCC2)cc1 2331522939 POBNBYCSONPXLP-UHFFFAOYSA-N 434.565 5.124 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(C)cc2)cc1 2331546031 VLHURHTYLJFDGB-UHFFFAOYSA-N 428.528 6.416 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)CC1CCCCC1 2331673319 GNGRXEZNPRKPST-UHFFFAOYSA-N 436.548 6.093 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)[C@H]1CCCO1 2331708017 MFIKLCZLTPOPRP-OAQYLSRUSA-N 428.912 5.336 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)C3CCC3)c(Cl)c2)c(OCC)c1 2331734244 AGHKZHQEKQWIGG-UHFFFAOYSA-N 428.912 5.739 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(Cl)ccc2OC)cc(OC)c1OC(=O)C1CCC1 2331883159 KZLXMFCJSZEYID-UHFFFAOYSA-N 440.923 5.687 30 10 IKEE CCC(CC)(CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339603417 ZVTNMTUUPDCFMT-CCEZHUSRSA-N 445.413 5.222 30 10 IKEE CC1(C)OB(/C=C/c2ccc(N[C@@H]3CC[C@H]4CN(Cc5ccccc5)C[C@H]43)nc2)OC1(C)C 2365054764 YGJVXDPDLMFCEG-VUWKUECDSA-N 445.416 5.049 30 10 IKEE C=CCN(C[C@@H](NCCC)c1cc(C)cc(Br)c1OC)C(=O)OC(C)(C)C 2365226623 WTMISOREKVCLOG-GOSISDBHSA-N 441.410 5.230 30 10 IKEE CCSC(=S)[C@]1(C#N)N=C(c2ccccc2)c2ccccc2N1C(=O)c1ccccc1 977081 KBXPELSZBPOEIC-RUZDIDTESA-N 441.581 5.485 30 10 IKEE Cc1ccsc1[C@@H]1C2=C(CCCC2=O)Nc2nc(SCc3ccccc3Cl)nn21 1283623 OYOKLHGUBLRYMJ-SFHVURJKSA-N 442.997 5.616 30 10 IKEE C=CCOc1c(Cl)cc(/C=C2/N=C(c3cccc4ccccc34)OC2=O)cc1OCC 2059403 VEOFHEQIAKDPSC-KGENOOAVSA-N 433.891 5.801 30 10 IKEE C/C(=N/N1C(=O)CN(Cc2ccccc2)[C@H]1c1ccc(Cl)c(Cl)c1)c1ccccc1 12378754 ZPMUQRJHSHASDR-UFVRDYMVSA-N 438.358 5.761 30 10 IKEE COc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(C(C)(C)C)cc2)C3)cc1OC 21257341 UAKBEJKGRCFQFM-UYAOXDASSA-N 433.548 5.006 30 10 IKEE CCn1nc(C)c(CN/C(=N/C(=O)c2ccc(C(C)(C)C)cc2)Nc2cccc(F)c2)c1C 32971659 ZYPKGSWOEGHCFN-UHFFFAOYSA-N 449.574 5.355 30 10 IKEE CCn1cc(/C=C2\Oc3c(CN4CCCC[C@@H]4C)c(O)cc(C)c3C2=O)c2ccccc21 41511544 JCCMWLUTSHQUTA-SMNNTEATSA-N 430.548 5.666 30 10 IKEE Cc1ccc(/C(CSc2nc3ccccc3o2)=N\Nc2cccc([N+](=O)[O-])c2)c(C)c1 59460569 GLPVSAVKQSWFNU-QLYXXIJNSA-N 432.505 5.961 30 10 IKEE Oc1ccc(/C=N/c2ccc(Oc3ccc(/N=C/c4ccc(O)c(O)c4)cc3)cc2)cc1O 59514158 BJNRQSYOOHDCFN-DPCVLPDWSA-N 440.455 5.803 30 10 IKEE CCCCCCCCCCCCCCCCCCN(C)C(=O)N[C@@H]1C=CS(=O)(=O)C1 59568351 NVHQKMPVJRJETQ-HSZRJFAPSA-N 442.710 6.200 30 10 IKEE C=CCOc1ccc(NC(=O)CNc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)cc1 66072210 ZDJGTUODNMDNNP-UHFFFAOYSA-N 441.959 5.018 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2)S/C(=N/c2cccnc2Cl)N1c1ccccc1 101126871 DTSDFDIKYWQMEG-OQJKFJKISA-N 426.328 6.197 30 10 IKEE CCN1C(=O)/C(=C/C(C)=C/c2ccccc2)S/C1=N/c1nc(-c2ccccc2)cs1 101130374 BXBDGVLXUFCFRM-VQQDBWQOSA-N 431.586 6.380 30 10 IKEE CCCCCCCCCn1c([C@@H]2CC(=O)N(Cc3ccc(OC)cc3)C2)nc2ccccc21 101906191 ZKOKFVHYTMHLCG-HSZRJFAPSA-N 447.623 6.312 30 10 IKEE CCCCCCCCCn1c([C@H](C)NC(=O)c2ccccc2Cl)nc2ccccc21 102114793 NDNQCYYPTSONCP-IBGZPJMESA-N 426.004 6.931 30 10 IKEE Cc1sc2nc(Cc3cccc4ccccc34)n(Cc3cccc(C#N)c3)c(=O)c2c1C 169902608 LOABEIVOOKEUEQ-UHFFFAOYSA-N 435.552 5.739 30 10 IKEE COc1ccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2cc(C)cc(C)c2)cc1 169922622 FVLBTAIRVSOHGM-SANMLTNESA-N 441.527 5.414 30 10 IKEE COc1ccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2cccc(C)c2C)cc1 169925164 QCACRECETRREOS-SANMLTNESA-N 441.527 5.414 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccc(C)c(C)c2)c1 169932920 UEZKQNQGAGDPSX-NRFANRHFSA-N 448.544 5.168 30 10 IKEE CC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1c(OCc2ccc(F)cc2)ccc2ccccc12 169936786 QODILUOXGACMBB-DEOSSOPVSA-N 434.536 5.282 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc(F)c(C)c2)=C(O)C(=O)N1c1cccc(C)c1 169941771 YPUWSAKFVAJXAE-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccccc2)cc1 170048039 ZIISSJQXNCHWGZ-SANMLTNESA-N 448.522 5.689 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)cc1C 170065252 GILFXORYCUGNBP-HSZRJFAPSA-N 433.454 5.360 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccccc2C)cc1 170088516 XEYGDPWKMBMIKY-XMMPIXPASA-N 443.499 5.104 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2Cc2cccs2)c1 170139220 UUHXFRMGMPZJMO-DEOSSOPVSA-N 439.536 5.988 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccccn1)c1ccc2ccccc2c1 170173645 RVLNKBCEEMIMHR-HSZRJFAPSA-N 440.886 5.671 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccccn1 170178074 OBVGOLRVWPEOCR-QFIPXVFZSA-N 430.504 5.059 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2)c1 170221661 ZQIWQJWRPHWIOK-HSZRJFAPSA-N 447.556 5.561 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@H]1c1ccccc1 170225267 BJXPEAUWHOBWIC-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccccc1 170226579 MSGGSVLRKRVTEK-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccc(Cl)c(Cl)c1 170246669 KOTDVEQDTYAPEH-MPBGBICISA-N 446.330 5.305 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1cccc(O)c1)c1cccc2ccccc12 170258155 NBBOEYJIUZLMRE-DEOSSOPVSA-N 439.442 5.467 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3OC)=C(O)C(=O)N2C2CCCCC2)cc1 170266565 KBWPZOBYSNOOFV-DEOSSOPVSA-N 449.547 5.177 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)cc(OC)c3o2)[C@@H]1c1ccco1 170294370 PEXASLYWSRIPAF-SFHVURJKSA-N 429.856 5.066 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 170345704 SORNMBLONMCLAM-QHCPKHFHSA-N 442.515 5.171 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Nc3ccccc3)cc2)[C@H]1c1ccco1)c1ccncc1 170400538 RGRVFOQNCRAXMP-QHCPKHFHSA-N 437.455 5.201 30 10 IKEE COc1cccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(C(F)(F)F)cc2)c1 170431354 KCUSRMHAZSVXNJ-HXUWFJFHSA-N 433.426 5.229 30 10 IKEE Cc1cc2onc(CC(=O)Nc3oc(-c4ccccc4)c(-c4ccccc4)c3C#N)c2cc1C 170494073 KOJDVPJCPVXTKM-UHFFFAOYSA-N 447.494 6.425 30 10 IKEE CCCCCCCCCCNC(=O)c1c(-c2ccccc2)c(-c2ccccc2)nn(C)c1=O 170561818 SPJTWBLJYKNUHE-UHFFFAOYSA-N 445.607 5.985 30 10 IKEE CCCCCCCCC[C@H](O)c1cc(I)ccc1Br 232938677 SRGMMCSRQTVIEG-INIZCTEOSA-N 439.175 6.228 30 10 IKEE O=C(Nc1nc(-c2c(Cl)cccc2Cl)no1)ON=Cc1c(Cl)cccc1Cl 254288526 DDZCFUDUKLDALZ-UHFFFAOYSA-N 446.077 5.933 30 10 IKEE O=c1c2c(-c3ccc(Cl)cc3)csc2ncn1N=Cc1ccccc1OC(F)F 254289797 KAVQFCLVDJOZRK-UHFFFAOYSA-N 431.851 5.262 30 10 IKEE CCCCOc1ccc(C=NNC(=S)Nc2cc(C(F)(F)F)ccc2Cl)cc1 254380881 MSINCAVDSRYLBE-UHFFFAOYSA-N 429.895 5.858 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccc(OC)c2)cc1 526605754 ZWZNHNYLBHSMCH-XMMPIXPASA-N 426.472 5.023 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2sccc2C)c(OC)c1 526607360 POVLBLQBSUMRIF-OAQYLSRUSA-N 432.501 5.003 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1ccc(Cl)c([N+](=O)[O-])c1 526806017 WKNJQCQXPQNIJT-QRVIBDJDSA-N 443.960 5.665 30 10 IKEE CCOc1cc(/C=N\n2cnnc2SCc2ccc(Cl)cc2)cc(Cl)c1OC 526806388 FHNKAVLYIJSJDX-RMORIDSASA-N 437.352 5.167 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccccc1OCC 526808830 UIHOSVVNNCZQCW-IWIPYMOSSA-N 428.989 5.847 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccc(OCC(C)C)cc1 526816535 IFIBKJLQVKELAB-QFEZKATASA-N 443.016 6.093 30 10 IKEE C=CCCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Br)cc1 586207171 RKDZMBOOGAGDRH-UHFFFAOYSA-N 434.277 5.239 30 10 IKEE CCCCCCCC[C@@H](N)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 708573013 QVXBBIHDKDEKPN-WOJBJXKFSA-N 441.454 5.963 30 10 IKEE Cc1ccc([C@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)c(C)c1Br 719632329 HSJKFCAAZYYLDI-IBGZPJMESA-N 429.358 6.068 30 10 IKEE CC/C(=N\OCc1cc(=O)c(OCc2ccccc2)cn1C)c1ccc(OC(C)C)cc1 821221670 XKYLNCUTXLXLGZ-SOYKGTTHSA-N 434.536 5.082 30 10 IKEE CCCCCCCCCCCCCC(=O)Oc1ccc(C=Nc2cccc(C#N)c2)c(O)c1 1081825607 NBMTWXPJUFKPFV-UHFFFAOYSA-N 448.607 7.621 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3cccc(Cl)c3)n2)cc1 1083911889 RMFSNSICHPWIMY-CQSZACIVSA-N 442.976 5.148 30 10 IKEE Cc1ccc(-c2nc(N=Cc3ccccc3Cl)sc2-c2ccc([N+](=O)[O-])cc2)cc1 1084025334 ZAYULZGSTFDPHX-UHFFFAOYSA-N 433.920 7.098 30 10 IKEE Cc1ccc(NS(=O)(=O)c2ccc(N=Cc3ccc(Br)cc3)cc2)c(C)c1 1084246605 NNTKDTQLADBVLO-UHFFFAOYSA-N 443.366 5.617 30 10 IKEE CCCC[C@@H](CC)CC1(C[C@H](CC)CCCC)c2ccsc2-c2sc(C#N)cc21 1857523041 IUOOUXSCGMFBPV-WOJBJXKFSA-N 427.723 9.161 30 10 IKEE CCCCCCCCCCn1cc(OCCOc2cccc(C)c2)c(=O)cc1C(=O)O 1857891177 PQVHUCFWVBYRBR-UHFFFAOYSA-N 429.557 5.453 30 10 IKEE N#Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)n(Cc3ccccc3)n2)cc1 1859390319 SPCMHGRDFHSITM-UHFFFAOYSA-N 447.325 6.029 30 10 IKEE N#Cc1ccccc1NC(=O)c1nn(-c2ccccc2)c(-c2ccccc2)c1Br 1859413763 GLWQITYQIPRLPY-UHFFFAOYSA-N 443.304 5.426 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 1861126213 OVIHNWZKVVENCA-GQRCBVMOSA-N 431.577 5.150 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(OC)cc1 1861363897 LOAIUJDMLVKUSX-RUZDIDTESA-N 438.612 5.293 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(Oc2ccccc2)c1 1862254901 LJGJOKGKMULRKC-SANMLTNESA-N 440.543 5.021 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(OC)cc1 1862385545 RWFKTRIEHNYOMY-LJQANCHMSA-N 434.319 5.380 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2cccc(C)c2)cc1C 1862400909 PGHGMDIAVGMLEG-UQBPGWFLSA-N 441.527 5.652 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(C)cc1 1862441154 APMRIGCJWQIIMF-FYYLOGMGSA-N 439.983 6.586 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 1862478468 IBRMJPJTKNPZEA-GAJHUEQPSA-N 442.471 5.243 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccccc1F 1862544521 FWUGNYZJMOZYAV-LAMXGVLKSA-N 447.550 5.862 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(C(F)(F)F)cc1 1862585825 FLVGYSKZQAPNMO-MRXNPFEDSA-N 444.236 5.610 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCCOC(C)C)cc1 1862660147 JECLSXWKPYQSKE-XMMPIXPASA-N 435.564 5.512 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CCCCCC2)c1 1862660897 RKKUGHALYBNZCU-VWLOTQADSA-N 431.576 6.420 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCCCCO)cc1 1862663280 QKGGCUVJDCXUFM-DEOSSOPVSA-N 435.564 5.113 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862666027 UDHSYIDWOZEZGL-QFIPXVFZSA-N 434.492 5.239 30 10 IKEE CCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1 1862674126 JVPJDQSVDNFGDL-DEOSSOPVSA-N 437.555 6.545 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC)cc1OC 1862683704 MKTHJWRRGJJEDP-JOCHJYFZSA-N 441.499 5.002 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@@H]2c2ccc(C)cc2)c1 1862699390 UKZPBMJGLBHPKP-RUZDIDTESA-N 441.527 5.133 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2cccc(Cl)c2)c1 1862700120 BGUFDTNYJXPDBP-RBQRDFNRSA-N 439.939 5.506 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1 1862713857 YJGNHLVNUMTNAM-BCHFMIIMSA-N 433.507 6.179 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccc1[N+](=O)[O-] 1862717350 BCMXTQKAJRWBOF-HSZRJFAPSA-N 444.487 5.372 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C2CC2)cc1 1862721951 TZDHKTMFLDNXFA-VWLOTQADSA-N 440.543 5.427 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccc(O)c1 1862722774 YOJHBFBXZKCYOU-OSPHWJPCSA-N 427.500 5.436 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1nc2ccc(C)cc2s1 1866032672 SUSNPZRKMRVKKA-UHFFFAOYSA-N 430.702 8.805 30 10 IKEE CC(C)c1nc(Nc2ccccc2C#N)cc(N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)n1 1868238092 JKRDKCTVNTXSPV-XMMPIXPASA-N 439.607 6.854 30 10 IKEE COc1cccc2c3c([nH]c12)CCN(c1cc(Nc2ccccc2C#N)nc(C(C)C)n1)C3 1868238920 XKRZXDOZDVZPBU-UHFFFAOYSA-N 438.535 5.268 30 10 IKEE N#Cc1nnn(-c2ccc(Nc3ccccc3)cc2)c1NC(=O)c1cc(Cl)ccc1Cl 1870154235 TUYZWLDCDPQFLG-UHFFFAOYSA-N 449.301 5.442 30 10 IKEE CCCCCCOc1ccc(-n2nnc(C#N)c2NC(=O)c2c(F)cccc2Cl)cc1 1870160753 ISFQVCGBTAXCSQ-UHFFFAOYSA-N 441.894 5.143 30 10 IKEE CCCCCCCCCCn1cc(OCc2ccccc2F)c(=O)cc1CN(CC)CC 1870345088 WMFFFDYXABKXEK-UHFFFAOYSA-N 444.635 6.549 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)OC)c(=O)cc1CN1C[C@@H](C)C[C@H](C)C1 1870449029 UOOJBZVTRYLHHW-VXKWHMMOSA-N 448.648 5.019 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2c(C)cccc2C)cn1Cc1ccccc1F 1870490718 CIELZLYKTGJZOM-UHFFFAOYSA-N 446.566 5.406 30 10 IKEE CCCCCCCOc1cn(CCCN(C)C)c(CNc2cccc(Cl)c2C)cc1=O 1870837401 DMPQJLNSBKUHFE-UHFFFAOYSA-N 448.051 5.723 30 10 IKEE CCCCCCCOc1cn(CCCN(C)C)c(CNc2ccc(F)c(F)c2)cc1=O 1870837825 ZXNNYTPYWQSERV-UHFFFAOYSA-N 435.559 5.040 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(C)cc2)c(CNc2ccc(F)cc2)cc1=O 1870839766 ZDEYKALLLGDZLR-UHFFFAOYSA-N 436.571 6.305 30 10 IKEE COc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN([C@H]3CCCC[C@H]3C)C4)C2=O)c(OC)c1 1871355689 GTVRCVOSKIMBGP-CANPFXEQSA-N 449.547 5.359 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OC(=O)CCc3ccc(Cl)cc3)cc(C)c2C1=O 1871368467 IKDKBHNWJLBBLM-MOSHPQCFSA-N 438.932 6.173 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c3C)C2=O)cc1 1871370760 CXLLDGIHFBUVBJ-HMAPJEAMSA-N 445.427 5.137 30 10 IKEE CCCOc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2Cl)C3=O)c1 1871387963 RADFEHYZDFCYFB-UCQKPKSFSA-N 448.902 6.273 30 10 IKEE C=CCN(CC=C)Cc1c(O)cc(C)c2c1O/C(=C\c1cccc(Br)c1)C2=O 1871393606 YZAOGZNBDJWDHZ-MOSHPQCFSA-N 440.337 5.253 30 10 IKEE Cc1ccc(OCCCOc2cc(C)c3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)cc1 1871406619 SHLDAADTAHTKEU-ONUIUJJFSA-N 443.543 5.834 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OCCOc3cccc4ccccc34)cc(C)c2C1=O 1871415855 XGCLODTTYOZCMP-JLPGSUDCSA-N 442.536 6.592 30 10 IKEE CCCC[C@H](Oc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O)C(=O)O 1871423695 XMZGCWCBKBTXEY-BEWREHSGSA-N 431.282 5.088 30 10 IKEE Cc1c(OCC(=O)N[C@@H](C)c2ccccc2)ccc2c1O/C(=C\c1cccc(Cl)c1)C2=O 1871424610 PFBWYYDUTPSTBI-PGECNJAHSA-N 447.918 5.521 30 10 IKEE CCCCCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1OC(F)F)C2=O 1871427151 QMLXSVCAOAWKOE-NDENLUEZSA-N 432.419 5.016 30 10 IKEE Cc1cc(OCC(=O)OCC(C)C)cc2c1C(=O)/C(=C/c1ccc(Cl)c(Cl)c1)O2 1871427479 GOWPDXRASXYJAG-UWVJOHFNSA-N 435.303 5.496 30 10 IKEE CCCCCCCCCOc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O 1871429383 FFYBBVKDIFQVPZ-KQWNVCNZSA-N 433.375 7.739 30 10 IKEE Cn1cc(/C=C2\Oc3cc(OCCC(=O)Nc4ccccc4)ccc3C2=O)c2ccccc21 1871446605 GBMGHAAAAZDVCW-MYYYXRDXSA-N 438.483 5.202 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(CCCC)cc1)[C@H](C)CC)S(=O)(=O)c1ccccc1 1871831397 IGPGQIKEHVPHKM-YKSBVNFPSA-N 442.625 5.259 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 1871891848 JUOVIDMPVSSQTF-DEOSSOPVSA-N 442.625 5.232 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1CC)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872494297 KIOWZAYJTZXKMV-HYBUGGRVSA-N 442.625 5.178 30 10 IKEE N#C[C@@H](C(=O)Cc1cc(Cl)ccc1Cl)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1872759549 RZNAUEATTWJHHC-HNNXBMFYSA-N 432.288 5.444 30 10 IKEE CC(C)COc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)c1 1872760318 LQMDNDHLJJRRKF-QHCPKHFHSA-N 426.541 6.488 30 10 IKEE N#C[C@H](C(=O)/C=C\c1ccc2c(c1)OCCO2)c1nc(-c2ccc3ccccc3c2)cs1 1872760373 MXUPCTFYFFGHST-BHQIVLKMSA-N 438.508 5.624 30 10 IKEE N#C[C@H](C(=O)C(c1ccccc1)c1ccccc1)c1nc(-c2ccc(F)cc2F)cs1 1872767601 WEVOYOXBCZRMFB-HXUWFJFHSA-N 430.479 6.097 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)cc3[N+](=O)[O-])n2)cc1F 1872775759 ZFRQZWZTZUXGAN-CYBMUJFWSA-N 431.832 5.009 30 10 IKEE CC(C)c1ccc(O[C@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc1 1872776616 TUYKQGDSTWKMJT-JPYJTQIMSA-N 432.589 6.701 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Cl)cc2Cl)=C(c2ccc(-n3cccc3)cc2)C1=O 1873203414 OOCQOOQRDJDAKF-UHFFFAOYSA-N 438.314 5.162 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2OCCCC)=C(c2ccc(-n3cccc3)cc2)C1=O 1873203607 YVUSVAUUSIEVLU-UHFFFAOYSA-N 441.531 5.034 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)c(F)c2)cc2c(N(CCCC)CCCC)ncnc21 1873662579 UPMPPJOWWBKVHO-UHFFFAOYSA-N 437.563 5.724 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](Cc1ccccc1)n1sc2ccccc2c1=O 1873936696 OEXVHQCVJFBRDT-QHCPKHFHSA-N 438.637 6.104 30 10 IKEE CCCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1ccc(F)cc1 1874203300 VJLFFSSRJVTDKG-CVKSISIWSA-N 440.588 5.986 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1c[nH]c2ccccc12 1874231080 QZWDNFZPNWTCBO-DHRITJCHSA-N 439.972 5.685 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(COc2c(C)ccc(C)c2C)nnc1SCC=C 1874255693 DVXYAMTYPMQDOB-WGOQTCKBSA-N 448.592 5.507 30 10 IKEE CSc1nnc(CCc2ccccc2Cl)n1/N=C/c1cccc(Br)c1 1874276076 UMJFSHIRLHAEMB-CIAFOILYSA-N 435.778 5.083 30 10 IKEE CCCOc1ccc(/C=N/n2c(CCc3ccc(Cl)cc3)nnc2SCC)cc1 1874283028 MALUFCUFEIWKDR-LFVJCYFKSA-N 428.989 5.500 30 10 IKEE CCCCC1CCC(c2nnc(SCCCO)n2/N=C/c2ccc(N(C)C)cc2)CC1 1874286572 NTCOYCCQXWXTDW-XIEYBQDHSA-N 443.661 5.165 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2ccncc2)cc1 1874301916 XSJDPLCLPXKDGR-WPWMEQJKSA-N 443.576 5.146 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(Cl)cc3)n2/N=C/c2ccccc2O)cc1 1874339440 WMEHYBGLFSLBQC-CVKSISIWSA-N 448.979 5.711 30 10 IKEE Clc1cccc(/C=N/n2c(COCc3ccccc3)nnc2SCc2ccccc2)c1 1874355098 BUXLOHGDEMAVGN-CVKSISIWSA-N 448.979 5.823 30 10 IKEE COc1cccc(/C=N/n2c(Cc3ccc(C)cc3)nnc2SCc2ccc(F)cc2)c1 1874388562 RRMVRWICEOOGGB-JVWAILMASA-N 446.551 5.500 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2/N=C/c2ccccn2)cc1 1874390734 BSQZRDRHYRDBHF-CVKSISIWSA-N 433.968 5.400 30 10 IKEE Clc1cccc(CSc2nnc(CCc3ccccc3)n2/N=C/c2ccccc2)c1 1874404337 SRIPONIRMYGCSR-YZSQISJMSA-N 432.980 5.891 30 10 IKEE Fc1cccc(CSc2nnc(Cc3cccs3)n2/N=C/c2ccc(Cl)cc2)c1 1874411751 KQNKPHPHWSKEDW-ZMOGYAJESA-N 442.972 5.897 30 10 IKEE Oc1ccccc1/C=N/n1c(Cc2cccs2)nnc1SCc1cccc(Cl)c1 1874414517 WSWNNYBVUTWVOV-YDZHTSKRSA-N 440.981 5.464 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(Cc2ccccc2)n1/N=C/c1ccncc1 1874420028 QZLJEZOCGAKNCA-VULFUBBASA-N 437.931 5.231 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2ccccc2)c(Cl)c1 1874430398 GFOUGTSYIYHHOG-AFUMVMLFSA-N 439.371 6.426 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccccc1Cl 1874439780 RTFPBELUAMFYRZ-ZMOGYAJESA-N 433.408 6.348 30 10 IKEE CCCCc1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1ccc(C(C)C)cc1 1874478607 IPHZXKKJDQCYSV-PCLIKHOPSA-N 441.645 5.167 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Br)ccc2OCC(=O)N(CC)CC)cc1 1874573034 RRDOCYVLEKFAKO-ACCUITESSA-N 444.369 5.155 30 10 IKEE O=C(/C=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccc([N+](=O)[O-])cc1 1874575494 QDVMKFCERXDCFA-CCEZHUSRSA-N 443.886 6.877 30 10 IKEE O=C(/C=C/c1c(OCc2cccc3ccccc23)ccc2ccccc12)c1cccc(Cl)c1 1874577528 SFUBUCXXQBHDLP-WUKNDPDISA-N 448.949 8.122 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(C)cc2C)o1 1874579154 ZKNULNLSXKHUDK-UXBLZVDNSA-N 438.907 6.202 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2cc(C)ccc2C)c1OCc1cccc(Cl)c1 1874580440 NZKRGMCCHVTPAE-MDZDMXLPSA-N 441.354 7.094 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccccc1OCC(=O)Nc1ccc(F)cc1 1874591987 MIULZRFCAWJTGO-WUXMJOGZSA-N 439.870 5.401 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc1OCc1ccc(F)cc1 1874598060 RRHSURSVLKSCAI-MDWZMJQESA-N 448.534 6.616 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OCC(=O)Nc1ccccc1C 1874600660 WPZLZTKHOJVHND-ZRDIBKRKSA-N 443.543 5.842 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OCC(=O)Nc2cc(C)cc(C)c2)c1 1874601118 VGOCKYDQRYIDSN-VQHVLOKHSA-N 449.934 5.879 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(F)cc3)c(OCC)c2)cc1 1874607370 KUMCUYYFTXQKOA-GZTJUZNOSA-N 432.535 7.042 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3C)c(Br)c2)c(C)c1 1874617829 VNRZLSHZMIHPEO-FMIVXFBMSA-N 435.361 6.849 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCc3cccc(F)c3)c([N+](=O)[O-])c2)cc1C 1874636670 MIBYNXIYVBBBNM-VQHVLOKHSA-N 435.451 5.834 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)c2)cc1 1874701913 NPHFHLFMQJGVPQ-AKCCUMBPSA-N 428.528 6.387 30 10 IKEE CCCCC(=O)Oc1cc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)ccc1OC 1874711956 LWAMBJDBSSGHPD-VQHVLOKHSA-N 437.319 6.002 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1 1875085039 MEECXTDHXFSKSV-DTQAZKPQSA-N 437.451 5.792 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)c(Cl)c2)cc1 1875100190 SHHIEKNWCBVBLM-WEVVVXLNSA-N 448.990 6.920 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Cl)c(OC(=O)c2cccc(F)c2)c(OC)c1 1875117629 FLRMOTSKIBDNAY-ZHACJKMWSA-N 440.854 5.612 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3cccc(Cl)c3)cc2[N+](=O)[O-])cc1C 1875121151 BUWZCDVRQHAPJJ-CSKARUKUSA-N 449.890 5.909 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)c1ccc(C)cc1 1875123535 RCEGHYUSTSTFTP-FMIVXFBMSA-N 436.891 5.781 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)C12CC3CC(CC(C3)C1)C2 1875128091 MNEOPTOBFFLYJQ-CMDGGOBGSA-N 446.543 5.722 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc4ccccc34)c([N+](=O)[O-])c2)cc1 1875135974 QTFRCUGGVCJUEU-RVDMUPIBSA-N 437.451 6.172 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)cc1 1875143699 MOQDUNBQEIESDO-SELKBFNUSA-N 446.930 6.262 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)CC(C)C)c(OC)c2)c(OC)c1 1875178758 ANCMNIDZRLCRHJ-RMKNXTFCSA-N 432.900 5.213 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc1 1875182009 ICPIADRHWUDFHD-JLHYYAGUSA-N 436.891 5.781 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N1C[C@@H](C)C[C@H](C)C1)n2CC 1875201245 KCHIBHOWFIDVKU-SFTDATJTSA-N 441.664 6.122 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N(CC)CC)n2Cc1ccccc1 1875217210 ZCMGZNPINXJYIS-UHFFFAOYSA-N 435.616 5.734 30 10 IKEE C=CCn1c(CC)nc(-c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)c1N 1875670493 BDNSUPBZSHGEPS-UHFFFAOYSA-N 439.559 6.039 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](CNC(=O)OC(C)(C)C)CC1CCCC1 1922086187 OIYDWNVFMADTAQ-DQEYMECFSA-N 444.660 5.849 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@H](NC(=O)OC(C)(C)C)C1CCCCC1)NCCC 1922117862 DCPVXVPRWCYXSD-RPBOFIJWSA-N 444.660 5.991 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@H](NC(=O)OC(C)(C)C)C1CCCC1)NCCC 1922118924 LFCRQKJQCNTHJA-RPWUZVMVSA-N 430.633 5.601 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C 1926639275 QFMCLVXKZGGDPX-DQEYMECFSA-N 444.660 5.991 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)c1c(Br)cccc1Br 1937848220 AJCURYHXYKEOSH-ZDUSSCGKSA-N 447.167 5.254 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 1944698931 WBGJYFLBVUOSDO-UYAOXDASSA-N 429.561 5.276 30 10 IKEE CC(C)(C)OC(=O)N1CCC([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)CC1 1944711240 AZWBKZGBZFXXAU-IBGZPJMESA-N 433.524 5.106 30 10 IKEE CC(C)(C)OC(=O)N1CCC([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)CC1 1944711468 CFAARBSMVZITSG-LJQANCHMSA-N 449.979 5.621 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(C(=O)OC(C)(C)C)C(C)(C)C2)c1 1949597820 ZDDAKJZDDUNNEW-XMMPIXPASA-N 429.561 5.418 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@]2(C#N)N(CC2CC2)C(=O)OC(C)(C)C)C1 1950309128 SQRCLLQUYKASCW-DNQXCXABSA-N 433.593 5.097 30 10 IKEE CN(C(=O)OC(C)(C)C)C1([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)CC1 1978440144 CIHZVXWDIKESPB-QGZVFWFLSA-N 435.952 5.373 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C1(C)C 2005327269 DUKRYIRMYUHXLV-MZNJEOGPSA-N 435.609 5.389 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)[C@@H]2CC[C@H]21 2008464212 JIPKNHZADXKOEZ-PMAPCBKXSA-N 447.601 5.167 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@](C#N)(N(C(=O)OC(C)(C)C)c3ccccc3F)[C@H]2C1 2032045390 RXJZOVQZYBAOLS-WOGXIUBCSA-N 445.535 5.106 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccccc1Cl)c1ccc(F)c(F)c1 2033813305 NPDIFBSPVSHCHQ-IBGZPJMESA-N 445.874 5.458 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(C)cc2)cc1 2033814560 VUJNKBWUNGJELD-QFIPXVFZSA-N 433.529 5.234 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(Cc2ccccc2)C[C@H]1C 2037425362 DHNPTMHPUROTFN-FQRUVTKNSA-N 435.568 5.241 30 10 IKEE O=C(C=Cc1ccc(-c2cccc(Cl)c2Cl)o1)c1cccc(N2CCOCC2)c1 2040967992 IPRHKOLOWXIVPG-UHFFFAOYSA-N 428.315 5.986 30 10 IKEE CC1(C)CSC(=Nc2cccc(C(F)(F)F)c2)N1C(=O)C=Cc1ccccc1[N+](=O)[O-] 2053512151 UCIRUMCKFSROQL-UHFFFAOYSA-N 449.454 5.669 30 10 IKEE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)c2ccc(C#N)c(C(F)(F)F)c2)C1 2055659579 BKFISYGKDXKKKC-UHFFFAOYSA-N 447.457 5.135 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H]3C[C@@H](OCc4ccccc4)C[C@@H]32)c1 2070323880 AIPUTIOSGREJRR-DQHZSEARSA-N 432.564 6.014 30 10 IKEE Cc1ccc([C@@H](n2nc(C(F)F)c(/C=N/O)c2I)C(C)(C)C)cc1 2079060780 MWQGDSWYPXNZJK-SCDDIDHTSA-N 447.267 5.177 30 10 IKEE COC(=O)c1c(C(F)(F)F)nn([C@H](c2ccc(C(F)(F)F)c(F)c2)C(C)C)c1Cl 2080053467 ITXAPAAZZSWTTN-LBPRGKRZSA-N 446.750 5.745 30 10 IKEE C=CCCCCCC[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2085849168 IIVHBLGQIQVXBM-HHHXNRCGSA-N 430.588 7.405 30 10 IKEE C=CCN(C[C@H](Cc1cc(Cl)cc(Br)c1)NCCC)C(=O)OC(C)(C)C 2110496135 WHQBRPNAVDCYDP-SFHVURJKSA-N 445.829 5.436 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(C)c(Br)cc1C 2136376030 BESNBXYSOBYCFD-RBUKOAKNSA-N 425.411 5.576 30 10 IKEE CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)C=Cc1ccccc1 2145215953 HAKXUPZQJDXFEG-LJQANCHMSA-N 430.342 5.167 30 10 IKEE C[C@H]1CCC[C@]2(CSC(=NCc3scc(Br)c3Br)N2)C1 2150563595 QZDMMYYAEKFZLQ-LKFCYVNXSA-N 438.254 5.414 30 10 IKEE CC1(C)OB(c2cccc(OCCN(Cc3ccccc3)CC3CCCCC3)c2)OC1(C)C 2152157802 FDSMFZQRUPMXEM-UHFFFAOYSA-N 449.444 5.447 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1ccc2c(c1)COC2 2156033143 INBLDFIOGFOATA-IBGZPJMESA-N 429.314 5.486 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCCC[C@@]12CCNC2 2156247267 JCEMMYDAABLGRB-SFTDATJTSA-N 434.378 5.007 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)C1(C(F)(F)F)CCCC1 2177879046 GWVILXMVKRCRPI-HNNXBMFYSA-N 447.295 6.205 30 10 IKEE CCCCCCC[C@@H](CO)N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CCCC1 2211083631 HFTXBJYDDOOITP-QHCPKHFHSA-N 449.635 6.902 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1sc(C)c(Br)c1C 2226503766 RQLOIWOPGTYSNE-MRXNPFEDSA-N 435.387 6.442 30 10 IKEE C=CCCCC[C@@H](NC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229125008 WZVMFURZTGGARK-MOPGFXCFSA-N 425.411 5.219 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](C2CC(C#N)(N(C(=O)OC(C)(C)C)C3CCCCC3)C2)C1 2254314122 ZZSBTWAWSDLMOB-VLNJMECTSA-N 447.620 5.486 30 10 IKEE C=CCCC1([C@H](O)c2ccc(Cl)cc2Br)CN(C(=O)OC(C)(C)C)C1 2254930945 DZTPHOLDTYAIQM-MRXNPFEDSA-N 430.770 5.339 30 10 IKEE C=CCCC1([C@@H](N)c2cccc(Br)c2Cl)CN(C(=O)OC(C)(C)C)C1 2254999616 TUSNFJXMFUEGKI-INIZCTEOSA-N 429.786 5.306 30 10 IKEE CC1(C)OB(c2cc(C(=O)Nc3cccc(Cl)c3Cl)sc2Cl)OC1(C)C 2281977813 UUUCAQWTRWWHQI-UHFFFAOYSA-N 432.565 5.260 30 10 IKEE C=CCCCCC[C@@H](OCC(=O)O)c1cc(Br)c(Br)s1 2291697554 HEZTUTNXUQAMNE-LLVKDONJSA-N 426.170 5.552 30 10 IKEE CCN1C(=O)C(=C2Sc3ccccc3N2CC)SC1=Nc1ccc(C)c(Cl)c1 2295201962 VEVQKFALIIEVFV-UHFFFAOYSA-N 429.998 6.033 30 10 IKEE O=C1C(=Cc2cccc([N+](=O)[O-])c2)Oc2cc(OCc3ccc(F)cc3Cl)ccc21 2296866027 SJUZXOHAUYSXKW-UHFFFAOYSA-N 425.799 5.583 30 10 IKEE COc1ccc(C=C2SC(=NCc3ccccc3)N(Cc3ccccc3)C2=O)cc1OC 2297325165 LVNLWCCVSQOFEF-UHFFFAOYSA-N 444.556 5.377 30 10 IKEE CC(C)(C)OC(=O)NC1([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)CCCC1 2302437446 NIWTXDXLRCDEPX-SFHVURJKSA-N 433.524 5.297 30 10 IKEE C=CCc1cc(C=C2SC(=Nc3ccc(F)cc3)NC2=O)cc(OCC)c1OCC 2313558174 UUVGVJXRMZIXQL-UHFFFAOYSA-N 426.513 5.243 30 10 IKEE CCN1C(=O)C(=Cc2ccc(-c3ccccc3Cl)o2)SC1=Nc1nnc(C)s1 2314544307 YJDAFLYJXNSTMU-UHFFFAOYSA-N 430.942 5.384 30 10 IKEE C[C@@H]1CCc2c(C#N)c(NC(=O)C=Cc3ccc(Cl)cc3Cl)sc(=S)c2C1 2314793088 MALHNQRHKLUVGW-LLVKDONJSA-N 435.401 6.433 30 10 IKEE CC[C@@H](Oc1ccccc1C=C1SC(=Nc2ccc(C)cc2O)N(CC)C1=O)C(C)=O 2314927236 BTMPEGZVTWFTBJ-HXUWFJFHSA-N 438.549 5.071 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OCc4ccc([N+](=O)[O-])cc4)c3C)C2=O)c1OC 2321851322 ROJOCEQFZGKEIS-UHFFFAOYSA-N 447.443 5.116 30 10 IKEE COc1cc(C=Nn2c(S)nnc2C2CC2)ccc1OCc1ccc(Cl)cc1Cl 2321888193 DJFNYUXZNKAYCL-UHFFFAOYSA-N 449.363 5.221 30 10 IKEE COc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2cc(C)ccc2C)C4)cc1 2322170947 XLTSRKHBCDWNCP-UHFFFAOYSA-N 441.527 5.589 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCCc1ccccc1)c1ccc(Cl)cc1Cl 2322390977 BEDLCEDAISLTBS-UHFFFAOYSA-N 431.746 7.164 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2c(F)cccc2Cl)C3=O)cc1 2322687664 NYZJSSYJOQOQBR-UHFFFAOYSA-N 438.838 5.632 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)cc(C)c3C2=O)c1 2322736519 OAKZGAMTYMTOLG-UHFFFAOYSA-N 426.512 6.436 30 10 IKEE Cc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2Br)C3=O)c1 2322884207 XWVODOVNGHLYKL-UHFFFAOYSA-N 449.300 5.901 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4ccc(Cl)cc4[N+](=O)[O-])cc(C)c3C2=O)cc1 2323283149 VPBFYLANFRHBSX-UHFFFAOYSA-N 449.846 5.700 30 10 IKEE CCCCCCCCCOc1ccc(C=NNS(=O)(=O)c2cccs2)cc1Cl 2323424338 UXBNYGDGQBFWCT-UHFFFAOYSA-N 443.034 5.843 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)C=Cc1ccc(C(C)(C)C)cc1 2323446862 QBGQJGRPWHOIIZ-DEOSSOPVSA-N 428.661 6.149 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1ccccc1Cl)C2=O)Nc1c(F)cccc1F 2325507221 SXZZITCNSLUWHW-UHFFFAOYSA-N 441.817 5.252 30 10 IKEE O=C(C=Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 2325566706 UBGLITWXECGBIJ-UHFFFAOYSA-N 445.824 6.372 30 10 IKEE CCOc1ccc(C=Nn2c(CC)nnc2SCc2c(Cl)cccc2Cl)cc1 2325603425 BHQPVZBAOSTZMD-UHFFFAOYSA-N 435.380 5.721 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(-n4cccc4)cc3)c2)cc1 2325712438 NRQVBRILLJUZKL-UHFFFAOYSA-N 449.550 6.935 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1OC(=O)CCCSC 2325715938 JVGHPFIXEMHMNH-UHFFFAOYSA-N 449.366 5.402 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4cc(Cl)ccc4C)ccc3C2=O)cc1 2325723455 VYZQPWKKSQJOMI-UHFFFAOYSA-N 447.918 5.845 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(Br)c(O)c(Br)c1 2325792106 XXAONQJKQOPNEA-UHFFFAOYSA-N 426.104 5.130 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1cccc(OCC)c1OC 2326442747 BDLKSOPXLIUFPD-UHFFFAOYSA-N 438.597 5.429 30 10 IKEE C=CCSc1nnc(COc2ccccc2Cl)n1N=Cc1cccc(OCCC)c1 2327672099 DWBLISSONWCAJB-UHFFFAOYSA-N 442.972 5.460 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCCc2ccccc2)n1N=Cc1cccs1 2328558785 KQQRAHPDCMYFMN-UHFFFAOYSA-N 448.617 5.752 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2cccs2)cc1 2329247095 RTNDWCBHPCSQNF-UHFFFAOYSA-N 434.590 5.422 30 10 IKEE Cc1ccsc1C=Nn1c(COCc2ccccc2)nnc1SCc1ccccc1 2329341333 JRIUFEBCFJQXBN-UHFFFAOYSA-N 434.590 5.539 30 10 IKEE CCc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2-c2cccs2)cc1 2330584306 SCVBGUYIUYLCOJ-UHFFFAOYSA-N 439.009 6.397 30 10 IKEE O=C(Cc1ccc(F)cc1F)Oc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1 2330651487 GEDSATGVNOVIMM-UHFFFAOYSA-N 428.434 6.162 30 10 IKEE CCCOC(=O)CSc1nnc(-c2ccccc2)n1N=Cc1ccc(Cl)cc1Cl 2330707159 FGYSJGULUZFGCP-UHFFFAOYSA-N 449.363 5.179 30 10 IKEE CCCOc1cccc(C=Nn2c(CC(C)(C)C)nnc2SCc2cccc(F)c2)c1 2330824594 SPHBTCAUQLXLKJ-UHFFFAOYSA-N 440.588 5.969 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)C3CCCC3)c(Br)c2)cc1 2330970174 DTFLDLLSNDUJEV-UHFFFAOYSA-N 429.310 5.449 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCc3c(F)cccc3Cl)nnc2[C@H]2CCCO2)c1 2331016318 RAEKWKRLIZSTSF-LJQANCHMSA-N 446.935 5.111 30 10 IKEE CCCCC(=O)Oc1c(OCC)cc(C=CC(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] 2331129762 YGPKSSOSHISTNJ-UHFFFAOYSA-N 431.872 5.639 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)c1cc2ccccc2n1C 2331165214 LVVXKJYYEKUBAY-UHFFFAOYSA-N 441.483 5.311 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)CSc1ccccc1 2331165476 OWAYVZMWSBTKLG-UHFFFAOYSA-N 434.513 5.298 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)cc2)c(Br)c1)c1ccccc1 2331167837 CULPDDNUOKHBJA-UHFFFAOYSA-N 425.253 5.704 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc3ccccc23)cc([N+](=O)[O-])c1OC(=O)C(C)C 2331478429 IDNMVABWTBBNNA-UHFFFAOYSA-N 433.460 5.604 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(F)c3)cc2)c(OC)c1 2331555089 SMCJRDINUSPBPO-UHFFFAOYSA-N 438.426 5.026 30 10 IKEE CCCC[C@H](CNC(=O)OC(C)(C)C)Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339589296 VPMYCLYMZHASEF-JUWJPQTCSA-N 445.413 5.222 30 10 IKEE Cc1ccc(C(=O)C2=C(N)N(c3ccccc3)C3=C(C(=O)CCC3)[C@H]2c2ccccc2)cc1 2151247 OOGDDBUSRLZRGE-RUZDIDTESA-N 434.539 5.659 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(C(C)C)cc2)cc1 5923535 MRDQPAXUDZQJNI-RUZDIDTESA-N 441.527 5.992 30 10 IKEE COc1cc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OC(C)=O 9805294 WWNARZZRAGABCP-AREMUKBSSA-N 442.515 5.478 30 10 IKEE C=CCNC(=O)c1cccc2c1N[C@@H](c1ccccc1OCc1ccccc1)[C@H]1CC=C[C@H]21 14476559 GTKFYTJGJSGTTP-BCQCSXDESA-N 436.555 6.008 30 10 IKEE Cc1cccc(/N=C2\S[C@H](CC(=O)c3cc(C)ccc3C)C(=O)N2c2cccc(C)c2)c1 15055211 CYQUEOUDRYNYSY-KQWPUEFFSA-N 442.584 6.329 30 10 IKEE N#CC1(c2ccc(NC(=O)c3ccc(-c4cc(Cl)cc(Cl)c4)o3)cc2)CCCC1 20499035 PIYMZIHWCYQYDA-UHFFFAOYSA-N 425.315 6.841 30 10 IKEE Cc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(C(C)(C)C)cc2)C3)cc1[N+](=O)[O-] 21224374 UPKUYQUBHRDZDM-QUCCMNQESA-N 432.520 5.205 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2C)cc1 21225714 OCYKAOZGWAFFFC-LGGPFLRQSA-N 438.571 6.763 30 10 IKEE Cc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC(C)C)cc2)C3)c1 21242674 ZSEMWDAUPJCYNF-MNNSJKJDSA-N 438.571 6.762 30 10 IKEE Cc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccc(C(C)(C)C)cc1)C2 21258025 RZGIGPNXAXZKKS-KCWXNJEJSA-N 436.599 7.272 30 10 IKEE CCc1ccc(S(=O)(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)cc1 21722830 IAXIKTUSNGNIFA-VWLOTQADSA-N 448.544 5.211 30 10 IKEE Cc1ccc(C(=O)/N=C(/NCCc2c[nH]c3ccccc23)Nc2ccccc2F)cc1F 32943441 ALBWMSXSPSRSOR-UHFFFAOYSA-N 432.474 5.195 30 10 IKEE COc1ccc(C(=O)/C=C\c2cc3ccccc3nc2SCc2ccc(Cl)cc2)cc1 33540582 ZUVZCVGRAQQFML-GDNBJRDFSA-N 445.971 7.085 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(Br)cc4)ccc3C2=O)cc1 33812305 YLZNKICMSUJCSC-MTJSOVHGSA-N 435.273 5.593 30 10 IKEE COc1cccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(Br)cc3)c2)c1 34954844 PLILOIIXFWKBOH-MDWZMJQESA-N 437.289 5.573 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)c(C)c2)[C@@H]1c1ccc(F)cc1 40091727 VUMISZCQJOLCQT-QFIPXVFZSA-N 425.500 5.301 30 10 IKEE Cc1cc(C)cc(C/N=C2\NC(=O)/C(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)S2)c1 59533478 FQFYAFIRMXPZRE-CIAFOILYSA-N 432.501 5.022 30 10 IKEE Cc1cccc(-c2nc3scc(-c4cccs4)c3c(=O)n2Cc2cccc(C#N)c2)c1 96531864 NCLBUDLSDBXPMY-UHFFFAOYSA-N 439.565 6.082 30 10 IKEE CCCCCCCCCCOc1ccccc1CNCc1cc(OC)c(OC)cc1Cl 100153359 DZHSTPYQUDZLPM-UHFFFAOYSA-N 448.047 7.167 30 10 IKEE C=CCOc1ccccc1NC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl 100439959 YMUSVEGRCBXHMZ-UHFFFAOYSA-N 427.331 6.483 30 10 IKEE CCCCCCCOC(=O)CNc1ccc(Br)cc1C(=O)c1ccccc1 100893877 UZFJKLRUTJKRHW-UHFFFAOYSA-N 432.358 5.606 30 10 IKEE Cc1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccccc3)[C@@H]2c2ccc(Br)cc2)cc1 102611220 XPVJOZGNWYXKME-AGGMBTAESA-N 448.316 5.384 30 10 IKEE O=C1C[C@H](c2ccc(Cl)cc2)CC(NCc2ccccc2)=C1C(=S)Nc1ccccc1 103826024 PWZUEXMFVOEGON-HXUWFJFHSA-N 447.003 6.270 30 10 IKEE CCc1ccccc1N/C=C1/C(=O)c2ccccc2N(Cc2cccc(C)c2)S1(=O)=O 104402582 VZIHHWYSXBNSPI-JLPGSUDCSA-N 432.545 5.044 30 10 IKEE O=C1/C(=C/c2cccn2-c2ccccc2)S/C(=N/C2CCCCC2)N1C1CCCCC1 110357626 WICUPHOWZZISEL-WZDJMGEGSA-N 433.621 6.415 30 10 IKEE CC(C)c1ccc([C@H](C#N)C(=O)c2cc(Br)c(Br)s2)cc1 128471260 GYAZSLRFVYLOSN-LBPRGKRZSA-N 427.161 5.887 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2c2ccccc2C)cc1 169926390 SVMCDTHYVNPMEU-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(OCc3ccc(Cl)cc3)cc2)NC(=S)N1 169938436 WDICOMKMBSTYCE-HSZRJFAPSA-N 448.975 5.595 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(N(C)C)cc2)cc1C 169953285 BUKMLZGHXFGAPY-XMMPIXPASA-N 426.516 5.152 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@@H]2c2cccs2)c1 169986123 ZSUYJCBXEZZXNU-XMMPIXPASA-N 439.536 6.301 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2cccc3ccccc23)[C@H]1c1ccncc1 170021334 CDMGRHVOGAWRJT-SANMLTNESA-N 434.495 5.337 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(O)c(Cl)c1)c1ccc2ccccc2c1 170044110 PZYSEQLJRHZRTP-QHCPKHFHSA-N 447.918 5.720 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@H]1c1cccc(OC(C)C)c1 170153340 IUJBUZZECDMWAF-OAQYLSRUSA-N 443.927 5.124 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2cccs2)c(C)c1 170160704 OESAFSPAIOZZDA-DEOSSOPVSA-N 443.568 6.027 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccccc1)c1ccc2c(c1)CCCO2 170226964 HHCRJSXQVMNOAX-HSZRJFAPSA-N 445.902 5.448 30 10 IKEE Cc1nc(-c2ccccc2)sc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccccc1 170234116 RCBXZNPEGLEYSE-OAQYLSRUSA-N 444.556 5.639 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2)[C@H]1c1ccc(Cl)cc1 170236741 NUGWVTQXMZUKMM-OAQYLSRUSA-N 427.928 5.507 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccc(F)cc2)cc1 170239947 SHDYVZHBDSBBIS-RUZDIDTESA-N 437.470 6.070 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C2CCCC2)cc1 170246206 HLIQXZXYWPGGBP-SANMLTNESA-N 439.555 6.484 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1Cc1cccs1 170312570 BVTJOUCXIBZGAR-QGZVFWFLSA-N 429.950 5.550 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2sccc2C)c1 170314273 VBDHOLOPKZIDPR-HSZRJFAPSA-N 439.536 6.301 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc3c(c2)OCO3)cc1 170467736 HYQKNCBSVCPUGH-JOCHJYFZSA-N 445.471 5.089 30 10 IKEE O=S(=O)(c1ccc(N=Cc2ccccc2OCc2ccccc2)cc1)N1CCCCC1 252462619 UVGNBCNZANJVBV-UHFFFAOYSA-N 434.561 5.191 30 10 IKEE COc1ccc(C=Nc2ccc3oc(-c4cccc(Br)c4)nc3c2)cc1Cl 252628235 SLJYSRMPFGEODL-UHFFFAOYSA-N 441.712 6.670 30 10 IKEE O=[N+]([O-])c1ccc(/C=C\C=Nc2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)cc1 252644134 ZZTDCIIRPGOJRR-OYKLTGMESA-N 438.270 7.126 30 10 IKEE CCCN1C(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)SC1=Nc1ccccc1 254292179 ORBYSQOCJBEZHN-KISRHMMLSA-N 446.547 6.419 30 10 IKEE O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=Nc2ccccc2)N1CCc1ccccc1 254294015 RJKXINZOVBYZOZ-ZINKLTMQSA-N 429.501 5.442 30 10 IKEE CCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2C)SC1=Nc1cccc2ncccc12 254836171 OOZYLMDLLGLYEG-CVJJEBQVSA-N 448.573 5.237 30 10 IKEE N#C[C@H](CNc1ccc(I)cc1Br)C1CCCCC1 397369467 RZGISVYCCLJRDI-GFCCVEGCSA-N 433.131 5.186 30 10 IKEE Cc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccc(OCC(C)C)c2)cc1 526608438 JCKSGAAPAGEUHG-SANMLTNESA-N 438.527 5.959 30 10 IKEE COc1cc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccc(C)cc2)ccc1O 526805318 KLBGAAOHKYXXGB-QQXSKIMKSA-N 444.560 5.066 30 10 IKEE Cc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccccc1COc1ccccc1 526811987 FIBSHVKUMIUMRG-YSMPRRRNSA-N 448.979 5.993 30 10 IKEE CC(C)COc1ccccc1/C=N\n1cnnc1SCc1ccc(Cl)c(Cl)c1 526812938 RVLRTUIECAITNV-VROXFSQNSA-N 435.380 5.794 30 10 IKEE N#Cc1ccc(C(=O)N(Cc2ccco2)c2nc3c(C(F)(F)F)cccc3s2)cc1 585177191 SNGVHAJWKADSKM-UHFFFAOYSA-N 427.407 5.627 30 10 IKEE C=CCCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586252769 MUPDALGWBWMTJG-UHFFFAOYSA-N 435.589 6.548 30 10 IKEE C#CCCCCC[C@H](NCCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 686709096 OUDBLUKEMSDNGL-IBGZPJMESA-N 437.422 6.421 30 10 IKEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@](C)(C#N)c1ccc(Br)cc1F 698826549 FWGSJTCCPHPFCR-OAHLLOKOSA-N 425.220 5.126 30 10 IKEE C=CCN=c1scc(-c2ccc3c(c2)NC(=O)CO3)n1N=C1CCC(C(C)(C)C)CC1 886004789 ONCDMQSWPHOEBQ-UHFFFAOYSA-N 438.597 5.075 30 10 IKEE CCCC1CCC(=Nn2c(-c3cccc([N+](=O)[O-])c3)csc2=NC2CCCCC2)CC1 886017731 YYLIPENMSWBHEO-UHFFFAOYSA-N 440.613 6.553 30 10 IKEE Oc1c(Br)cc(Br)cc1C=Nc1ccc2nc(S)sc2c1 1083946163 JPVNDZSBKGJREZ-UHFFFAOYSA-N 444.173 5.566 30 10 IKEE COc1ccccc1CSc1n[nH]c(NN=Cc2ccccc2OCc2ccccc2)n1 1084137956 HMYDNXAIFKZLIM-UHFFFAOYSA-N 445.548 5.131 30 10 IKEE O=C(OCc1ccccc1)N1C[C@@H](CS)[C@H](c2cc(C(F)(F)F)ccc2Cl)C1 1614629250 QOVOQBTXLRARAV-WMLDXEAASA-N 429.891 5.641 30 10 IKEE Cc1c(C(=O)Nc2ccc(C(C)C)cc2)oc2c1C(=NNc1ccc([N+](=O)[O-])cc1)CCC2 1772748871 XYJVSSCJCOCDEQ-UHFFFAOYSA-N 446.507 6.024 30 10 IKEE COc1ccc(C=NN=C2S/C(=C\c3ccccc3C)C(=O)N2Cc2ccco2)cc1 1772757808 KSBDLNSVEQVEEV-KGXKECERSA-N 431.517 5.103 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2ccccc2F)cc1C 1862400423 DOMHOCCNSTYZRX-XMMPIXPASA-N 445.490 5.230 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862477773 RJRKZKLYCOFDEU-VWLOTQADSA-N 436.511 5.563 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(C)cc1 1862523250 CQUVMRLKDTYLIF-KUHUBIRLSA-N 428.326 5.134 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(C(C)C)cc1 1862596617 VRSIDSKDWQRVNC-DHLKQENFSA-N 449.591 6.453 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862624404 KABYNKMHEGLELA-IBGZPJMESA-N 442.899 5.144 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccccc2C)cc1F 1862639007 OSTUOZSBDIJHPX-YBVWCTEOSA-N 437.511 5.300 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CC(C)C)c1 1862654716 QKYWEMSMFNAIAQ-DEOSSOPVSA-N 429.516 5.473 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC)cc1OCC 1862684399 VXVUUQHELDNMNO-QFIPXVFZSA-N 441.499 5.002 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccc(F)cc2)cc1 1862687748 OMTLNABOYHONOA-HSZRJFAPSA-N 437.511 5.526 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2c(F)cccc2Cl)cc1 1862692606 PJKJECPTSATNDY-FQEVSTJZSA-N 429.875 5.009 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccc(C)cc2)cc1 1862713703 UOMDGTALXBRJNQ-MHZLTWQESA-N 447.534 6.235 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 1862740999 JQFRTZYUNUVYFI-OAQYLSRUSA-N 448.862 5.027 30 10 IKEE N#Cc1cccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3ccc(Cl)cc3)C2=O)c1 1862792349 DDTBKEOZZKZQOC-UHFFFAOYSA-N 434.282 5.262 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(C)cc2C)=C(c2ccc(C)cc2)C1=O 1863268423 ZXDVEXMLVKUQIO-UHFFFAOYSA-N 446.635 6.945 30 10 IKEE CCc1nc(Nc2cccc(C#N)c2)cc(N2CCc3ccccc3[C@H]2c2cccc(F)c2)n1 1868268485 MJCLPVMQEMEJTM-MUUNZHRXSA-N 449.533 5.945 30 10 IKEE C=CCN(CC=C)c1cc(N2C[C@H](C)Cc3ccccc32)nc(-c2ccccc2Cl)n1 1869239763 BYYDJEYSSMSAQA-LJQANCHMSA-N 430.983 6.306 30 10 IKEE C=CCn1cc(OCc2ccccc2C)c(=O)cc1CSCc1nc2ccccc2[nH]1 1870171512 QSBBEXKXRMCTJS-UHFFFAOYSA-N 431.561 5.231 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OC2CCCCC2)c(=O)cc1CSCC 1870306009 QBBRRUYOQRCTJG-UHFFFAOYSA-N 437.646 5.717 30 10 IKEE CCCCCCCCn1cc(OCc2cccc(C)c2)c(=O)cc1CN1CCC(C)CC1 1870620588 HNEUUFGPHSIZKW-UHFFFAOYSA-N 438.656 6.328 30 10 IKEE C=CCn1cc(OCc2c(C)cc(C)cc2C)c(=O)cc1CNc1ccc2c[nH]nc2c1 1870802909 PNMQTBCADRHDKH-UHFFFAOYSA-N 428.536 5.027 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc3C2=O)cc1 1871376558 QMMKCNSMSREYQE-YUMHPJSZSA-N 434.491 6.167 30 10 IKEE CC(C)=C1Oc2cc(OC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2C1=O 1871377909 KPUUTVCFDAJUET-UHFFFAOYSA-N 430.300 5.812 30 10 IKEE CCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2sccc2C)C3=O)cc1 1871379939 NXNBOILSFWLSBG-HFAHNTRXSA-N 446.524 5.999 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc(O)c2CN(Cc2ccccc2)C(C)C)C1=O 1871393629 AIECHXCCLJJUFW-QQXSKIMKSA-N 443.543 5.818 30 10 IKEE Cc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)O/C(=C\C=C\c1ccccc1)C2=O 1871408208 BEMLVEYPEUHBTA-YRUIQWTDSA-N 439.511 5.882 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 1871801854 OMAQOBSMPAXIHE-QFIPXVFZSA-N 449.016 5.331 30 10 IKEE C=C(C)CN([C@@H](CC)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872560039 UFMPPTNMYPPXKH-QHCPKHFHSA-N 442.625 5.213 30 10 IKEE N#C[C@@H](C(=O)Cc1ccccc1[N+](=O)[O-])c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872759646 VDIPTLNPXJWFPS-NRFANRHFSA-N 439.496 5.804 30 10 IKEE N#C[C@H](C(=O)c1ccc(F)c(F)c1F)c1nc(-c2ccc(Br)cc2)cs1 1872765133 IDFYUWYUDLPDJX-GFCCVEGCSA-N 437.240 5.480 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(OCC)cc3)n2)cc1 1872770468 VJNCZXRCXYGXSD-LGQSSRTCSA-N 432.545 5.887 30 10 IKEE Cc1cc(-c2csc([C@@H](C#N)C(=O)COc3cc(C)c(Cl)c(C)c3)n2)ccc1F 1872772957 VCIVCTLKJSZIQA-KRWDZBQOSA-N 428.916 5.783 30 10 IKEE COc1ccc(CC(=O)[C@H](C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1OC 1872778357 JRMBFSCNMDKSHT-IBGZPJMESA-N 434.561 5.480 30 10 IKEE N#C[C@H](C(=O)/C=C/c1ccccc1Cl)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872787261 FOZWJLQJMHABJW-SBJJXXPASA-N 433.747 6.660 30 10 IKEE Cc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1C 1872787408 JBNKXOQUZKNTQK-KRWDZBQOSA-N 431.344 5.989 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2C)C(=O)N(CCCOC(C)C)C1=O 1873102307 NDBYWCWVZXQLLE-UHFFFAOYSA-N 442.644 5.620 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@H](C)CC)=C(c2c(C)cc(C)cc2C)C1=O 1873120803 WEYYXUICMZSNEV-JOCHJYFZSA-N 426.645 6.221 30 10 IKEE CCCCCCCCN=c1nc2c(cnn2-c2ccccc2)c(Nc2ccc(C)c(C)c2)[nH]1 1873478109 LULXBJWXJFCONA-UHFFFAOYSA-N 442.611 6.370 30 10 IKEE CCCCCCCCCCNC(=O)c1sc(-c2cccc(Cl)c2Cl)nc1C 1873935093 HOUKYNBBHIOAIU-UHFFFAOYSA-N 427.441 7.296 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccc(Cl)cc1 1874230830 DYTZHRPCJJVACW-FSJBWODESA-N 435.380 5.857 30 10 IKEE Cn1cccc1/C=N/n1c(Cc2ccccc2F)nnc1SCc1cccc(Cl)c1 1874378516 JHTDOVMOSHIVOH-AFUMVMLFSA-N 439.947 5.174 30 10 IKEE Cc1ccccc1CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1ccc(F)cc1 1874392718 SFPWNCDCZJOICU-BWJYWGHISA-N 430.552 6.052 30 10 IKEE CCSc1nnc(Cc2ccccc2)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874417232 GAIGVSNVXVWCPY-NLRVBDNBSA-N 442.544 5.082 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2)n1/N=C/c1ccc(Br)cc1 1874438642 LGIZDKCWTUAIST-OEAKJJBVSA-N 443.414 5.804 30 10 IKEE Fc1ccccc1CSc1nnc([C@H]2CCCO2)n1/N=C/c1cccc2ccccc12 1874445443 FEUAMUHFODRQHW-QVGKIPNLSA-N 432.524 5.596 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2[C@H]2CCCO2)cc1 1874446467 CBJXUGTYHSHLAJ-NWJFTTBMSA-N 449.624 5.459 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CCCC2)c(O)c1 1874456388 PCVJSINYWWNLAA-CVKSISIWSA-N 444.560 5.675 30 10 IKEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3cccc(C)c3C)nnc2-c2ccco2)c1 1874464341 FANKJJWWHGASBX-AFUMVMLFSA-N 445.548 5.076 30 10 IKEE COCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1cccs1 1874473995 HKUXNKMEOIFNMS-KEBDBYFISA-N 427.382 5.010 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc(N(C)C)cc1 1874479749 PBGOJNJARURGAU-BUVRLJJBSA-N 428.005 5.515 30 10 IKEE Cc1ccccc1CSc1nnc(C2CCC2)n1/N=C/c1cccc(Br)c1 1874495182 YYSIWJWCJNHGQL-YDZHTSKRSA-N 441.398 5.791 30 10 IKEE CCOc1cc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2C2CCC2)ccc1O 1874496179 YTBOKWUMZVQNJL-AFUMVMLFSA-N 436.581 5.441 30 10 IKEE COCc1nnc(SCc2ccccc2F)n1/N=C/c1c(Cl)cccc1Cl 1874501650 SBQOGUZJPXJHMI-LSFURLLWSA-N 425.316 5.045 30 10 IKEE COCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(Cl)cc1Cl 1874505973 HZHHFNHSDPOQKX-LSFURLLWSA-N 441.771 5.559 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C2CC2)c1 1874518589 AQBAZORSIZUWDY-OEAKJJBVSA-N 437.525 5.027 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1cnnc1SCc1c(F)cccc1Cl 1874540837 WHDRJVNKGKSUOF-OPEKNORGSA-N 426.904 5.407 30 10 IKEE CC(C)(C)c1cc(/C=N/n2c(S)nnc2CCc2ccccc2)cc(C(C)(C)C)c1O 1874560533 CEHDCEHXOWZEBO-WGOQTCKBSA-N 436.625 5.535 30 10 IKEE COc1cccc(/C=C/C(=O)c2cccc(Cl)c2)c1OCC(=O)N[C@@H](C)c1ccccc1 1874577356 JXNPTRJDVJGBGK-JJJPLKNQSA-N 449.934 5.501 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OC)c2OCc2cc(C)ccc2C)c1 1874580787 GKWBFQMIELZUEQ-ACCUITESSA-N 432.516 5.804 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C(C)C)cc2)c1OCC(=O)Nc1ccccc1 1874584060 UQKLFCSHDQEMIR-WUKNDPDISA-N 429.516 5.732 30 10 IKEE CCc1ccc(NC(=O)COc2c(/C=C/C(=O)c3ccc(C)c(C)c3)cccc2OC)cc1 1874588041 RDEQVNLZKORQCG-DTQAZKPQSA-N 443.543 5.788 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OCC(=O)Nc1cccc(C)c1 1874596480 WRGSSAOBBTXHNN-YRNVUSSQSA-N 433.479 5.365 30 10 IKEE CCOC(=O)c1ccc(COc2cccc(/C=C/C(=O)c3cc(C)cc(C)c3OC)c2)o1 1874599523 QHFRZZCKZLIHCD-PKNBQFBNSA-N 434.488 5.557 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1OCC(=O)OCC(C)C 1874601057 QXLNEMVLBFKROU-XBXARRHUSA-N 437.319 5.476 30 10 IKEE CCCOc1c(Br)cc(/C=C/C(=O)c2ccc(OCC)cc2)cc1OCC 1874615000 BGEIWRWQNGLRGO-KPKJPENVSA-N 433.342 5.931 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(F)cc1 1874616408 YHBNCQVIPDIIPS-ONNFQVAWSA-N 431.290 6.616 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OCc1ccccc1C 1874617808 USNVIKFTCPQGKY-FYWRMAATSA-N 426.556 6.824 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OC(=O)c1c(F)cccc1Cl 1874698962 WPDJKUNHBHQJNI-ZRDIBKRKSA-N 440.854 5.612 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(OCC)cc3)c2)cc1 1874701628 CBJMEFWJCYLLFY-LICLKQGHSA-N 444.527 5.918 30 10 IKEE CCCC(=O)Oc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)c(Br)cc1OC 1874708292 VLSPDFHFHIBASX-VAWYXSNFSA-N 445.353 6.183 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)Cc1ccccc1 1875097940 LCAPPPOTFZAQTN-FOWTUZBSSA-N 440.539 6.008 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1Cl 1875109837 HNQFSRDSOKVAQW-NTUHNPAUSA-N 449.772 6.874 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3Cl)cc2Cl)cc1C 1875113206 BDWXQNGTKHMCKV-PKNBQFBNSA-N 439.338 6.654 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H]3CCCO3)c(Br)c2)c(C)c1 1875131895 TWOIZBOCEGXQMP-VHTFYLNKSA-N 429.310 5.046 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OCC)cc3)cc2)cc1 1875137303 GHWWOTIYBCZBCH-CNHKJKLMSA-N 430.500 5.989 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC(=O)Cc1ccc(C)cc1 1875145685 TUWSBYYHRBVJHY-ACCUITESSA-N 444.527 5.755 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OC(=O)C1CCC1 1875148837 NVIZPSMCBYEBKI-MDWZMJQESA-N 426.940 6.248 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(OC)c1OC(=O)C(F)(F)F 1875154237 VEAKBHKULWAKPY-ZHACJKMWSA-N 430.378 5.221 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3cc(C)cc(C)c3OC)cc2)cc1 1875169950 VOYKOTRFUIUTCJ-XNTDXEJSSA-N 444.527 5.755 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C)c(Cl)cc3OC)cc2)cc1 1875180727 VTCVLWYRVIMYOE-NTEUORMPSA-N 434.919 6.335 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc1 1875192929 KQXUYNXTALTQKW-FOWTUZBSSA-N 428.956 6.901 30 10 IKEE CC1(C)OB([C@]23C[C@@H]2CCN(C(=O)OCC2c4ccccc4-c4ccccc42)C3)OC1(C)C 1880081540 QYIKOPJIOZRGTF-MYUZEXMDSA-N 445.368 5.494 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1ccc(Br)c(C(F)(F)F)c1 1922069281 PKCROXDGMUSEOE-FQEVSTJZSA-N 442.319 6.282 30 10 IKEE CCCCCCC[C@H](OC)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952250678 WCVHHHSOOCPDFI-ZEQRLZLVSA-N 439.552 5.354 30 10 IKEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2033649345 JXZRUSUEUWJSQY-XLIONFOSSA-N 449.567 5.646 30 10 IKEE CCCCCCCCCC(=O)Oc1ccc(C(=O)C=Cc2ccc(Cl)cc2Cl)cc1 2040751145 NRTYLZACQRNWSO-UHFFFAOYSA-N 447.402 7.936 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)[C@H]1C1CC1 2067949817 GETJXFOULRSWQC-NLFFAJNJSA-N 447.620 5.628 30 10 IKEE Cc1ccc([C@H](n2nc(C3CC3)c(C#N)c2I)C2(C)CC2)c(C)c1 2079031694 QIIYQEGMAWCHCV-SFHVURJKSA-N 431.321 5.243 30 10 IKEE Cc1ccc([C@H](n2nc(C(F)(F)F)c(/C=N/O)c2Br)C(C)(C)C)c(C)c1 2079088580 FKEWXLJCFJBGTQ-RRDOOKONSA-N 432.284 5.725 30 10 IKEE Cc1ccc([C@@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C(C)(C)C)c(F)c1F 2079939126 ZHZNWUXIIINXGH-QGZVFWFLSA-N 440.332 5.727 30 10 IKEE Fc1ccc(-n2nc(C3CCC3)c(C(F)(F)F)c2Br)nc1C(F)(F)F 2080481325 QPYYJBWOVQADFI-UHFFFAOYSA-N 432.137 5.474 30 10 IKEE C=CC[C@](C)(CO)CNCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2082200984 GRSVXTRDUQMCNO-NDEPHWFRSA-N 431.576 5.509 30 10 IKEE CCCCCC#CC[C@H](NCCC)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2083431205 QQZPTKFFVSAORP-LOSJGSFVSA-N 443.676 5.354 30 10 IKEE CCCCCC#CC[C@@H](NCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2083443520 RQHSOSPMJCHBCB-SQHAQQRYSA-N 441.660 5.108 30 10 IKEE C[C@@H](C[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1)C(F)(F)F 2121445341 QTRAPAFIMTVZLU-SJCJKPOMSA-N 435.284 6.061 30 10 IKEE CCCCCCCCCC[C@@H](NN)c1csc(Br)c1Br 2150362687 OESLOMHWKFBXNW-CYBMUJFWSA-N 426.262 6.308 30 10 IKEE CCOC1(C)CCC(C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Br)CC1 2161442980 MFPMCKOPZVATIW-UHFFFAOYSA-N 437.378 5.822 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCC(F)(F)CC1(C)C 2165013922 GOFSCZYFIMFSET-LJQANCHMSA-N 443.332 6.298 30 10 IKEE C[C@@H](CC(=O)C#Cc1ccccc1Br)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2235731424 PZLGRIWYRQOYTM-FUHWJXTLSA-N 434.374 5.043 30 10 IKEE N#Cc1cccc(F)c1Nc1cc(Br)c(Br)c(Br)c1 2265761354 FGQBQZJQOSUWQW-UHFFFAOYSA-N 448.915 5.728 30 10 IKEE Cc1cc(OCc2ccccc2)ccc1Nc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2267824669 LDHHYQNTHVRVKW-UHFFFAOYSA-N 430.357 5.199 30 10 IKEE C=CC[C@]1(COc2ncc(Br)cc2C)CCCCN1C(=O)OC(C)(C)C 2272079536 DULIQQFBMIECGL-HXUWFJFHSA-N 425.367 5.267 30 10 IKEE C=C(C(C)(C)C)[C@](C)(OCC(=O)O)c1cc(Br)c(Br)s1 2291125283 VAIGVSZQVFYMDI-AWEZNQCLSA-N 426.170 5.192 30 10 IKEE C[C@H](CC(=O)C#Cc1ccc(Br)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2296228294 XPBCAZZVYIUTMA-AEFFLSMTSA-N 434.374 5.043 30 10 IKEE Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl 2296925677 UWMZZDQZVQILKT-OAQYLSRUSA-N 448.862 5.183 30 10 IKEE O=C1C(=Cc2ccc(-c3ccc(Br)cc3C(=O)O)o2)Sc2ccccc21 2297316809 YUGDJXPDQBBXSE-UHFFFAOYSA-N 427.275 5.737 30 10 IKEE CC(C)c1ccc(C=C2Oc3cc(OCc4ccc(Cl)c(Cl)c4)ccc3C2=O)cc1 2314438462 UAASJDOMKIVOJM-UHFFFAOYSA-N 439.338 7.312 30 10 IKEE Cc1cc2c(cc1C)C(=O)C(=Cc1cn(-c3ccccc3)nc1-c1ccc3c(c1)C[C@@H](C)O3)O2 2314519329 JFJJWMNCMMYXAO-LJQANCHMSA-N 448.522 6.096 30 10 IKEE C=CCOc1ccc(C=C2SC(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)cc1 2314538937 HBELFTQZQKDSBB-UHFFFAOYSA-N 439.842 6.165 30 10 IKEE C=CCc1ccccc1OCCCn1c(CCCCCNC(=O)C=CC)nc2ccccc21 2314884591 ZDODMWSMZDGVDI-UHFFFAOYSA-N 445.607 5.639 30 10 IKEE COc1ccccc1C=C1Oc2cc(OCc3c(Cl)cccc3Cl)cc(C)c2C1=O 2321773195 KRWNBRRJQGASGI-UHFFFAOYSA-N 441.310 6.506 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCc4c(Cl)cccc4Cl)c3C)C2=O)cc1 2321773205 PYGGWTZEXLRFDY-UHFFFAOYSA-N 441.310 6.506 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCC=Cc4ccccc4)c3C)C2=O)cc1OC 2321813913 DSURWATYLCYETK-UHFFFAOYSA-N 428.484 5.721 30 10 IKEE CCCCC[C@H](CC)N1COc2cc(C)c3c(c2C1)OC(=Cc1cccc(Cl)c1)C3=O 2322072609 FBRHHIXSYBVDLX-FQEVSTJZSA-N 439.983 6.775 30 10 IKEE CCn1cc(C=C2Oc3c(ccc4c3CN([C@@H]3CCCC[C@@H]3C)CO4)C2=O)c2ccccc21 2322146230 VUHFDPMBDMOUEU-FDDCHVKYSA-N 442.559 6.008 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)c1 2322799086 JIMNPMSYEBCTSS-UHFFFAOYSA-N 436.847 5.193 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc3C2=O)c1OC 2323057453 VEKMUBIENPDOLN-UHFFFAOYSA-N 442.467 5.247 30 10 IKEE Cc1cc(OC(=O)c2ccccc2[N+](=O)[O-])cc2c1C(=O)C(=Cc1cccc(Cl)c1)O2 2323153358 FFUGSHTWHNGTJK-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc1OCc1cccc(C)c1 2323231690 DVLHBSYKTITWJY-UHFFFAOYSA-N 444.571 6.919 30 10 IKEE C=CCOc1c(OC)ccc(C=CC(=O)c2ccc(OC)c(C)c2C)c1Br 2323247498 DKEKFCBHNUBKTN-UHFFFAOYSA-N 431.326 5.544 30 10 IKEE Cc1cc(OC(=O)c2ccc(C(F)(F)F)cc2)cc2c1C(=O)C(=Cc1ccncc1)O2 2323352200 AVBZTICKLZKEQE-UHFFFAOYSA-N 425.362 5.244 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc3c(c2)OC(=Cc2ccc(CC)cc2)C3=O)cc1 2323370852 ZYNOOBUIPYMJSL-UHFFFAOYSA-N 428.484 5.412 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OCc3ccccc3)c(OC)c2)cc1OC 2323439287 CMGQOHGCVVQBGQ-UHFFFAOYSA-N 434.488 5.196 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OCc3c(F)cccc3Cl)c(Cl)c2)c1 2323486377 ZFGPIOHRPOVHJR-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2cccc(OC)c2)cc1Cl 2323486747 AWRIGHSEMAVBCT-UHFFFAOYSA-N 449.934 5.825 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(Cl)c1OCc1ccccc1C 2323602282 YJGMUNSREJZSMJ-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(F)cc2)c(Br)c1)c1ccc(F)cc1F 2323721127 ORMUJSRQPFAMBF-UHFFFAOYSA-N 447.250 6.342 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(Cl)cc2)C3=O)c1 2323839497 VPWIBIXBHQLQPJ-UHFFFAOYSA-N 448.902 6.273 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)c(Cl)c2)cc1 2323900375 BJOHJMAHACDLSA-IBGZPJMESA-N 433.935 5.801 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OCc3ccccc3F)c([N+](=O)[O-])c2)c1 2324022806 RICHUGNLSOAEFS-UHFFFAOYSA-N 437.423 5.226 30 10 IKEE C[C@@H]1C[C@@H](C)CN(Cc2c(O)ccc3c2OC(=Cc2ccc(-c4ccccc4)cc2)C3=O)C1 2324054891 DEHKROJBJUEZOO-WOJBJXKFSA-N 439.555 6.153 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3cc(C)ccc3C)c([N+](=O)[O-])c2)cc1F 2324115747 CPYHIMRTUXTRGZ-UHFFFAOYSA-N 435.451 5.834 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OCc1ccccc1F 2324355978 KZAFRIAAJHELIQ-UHFFFAOYSA-N 432.535 6.933 30 10 IKEE Cc1ccc(OCCOc2ccc3c(c2C)OC(=Cc2c(F)cccc2Cl)C3=O)cc1 2324538793 CNHHSNSMMRXAJB-UHFFFAOYSA-N 438.882 6.170 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3F)cc2)cc1Cl 2324608481 YKYPJRXTIQNHJL-UHFFFAOYSA-N 439.870 5.401 30 10 IKEE O=C(C=Cc1ccc(OCCc2ccccc2)c(Cl)c1)c1cc(Cl)ccc1Cl 2324652248 OVSADOHGAVLPJW-UHFFFAOYSA-N 431.746 7.164 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccccc1C(=O)O 2325610468 QORLNHYRSHAKFU-UHFFFAOYSA-N 435.336 5.020 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1OC(=O)c1ccccc1OC 2325690912 RPBRERSPXFJSBT-UHFFFAOYSA-N 438.479 5.972 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2)cc1OC(=O)COc1c(C)ccc(C)c1C 2325731163 AVEONDAMEFTYBS-UHFFFAOYSA-N 430.500 5.501 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccccc1F 2326525966 MGZCTLDONZDZHO-UHFFFAOYSA-N 430.936 5.508 30 10 IKEE Cc1cccc(CSc2nnc(CC34CC5CC(CC(C5)C3)C4)n2N=Cc2ccco2)c1 2326891416 UPXBYYOKJCMNBO-UHFFFAOYSA-N 446.620 6.113 30 10 IKEE C=CCSc1nnc(COc2ccccc2Cl)n1N=Cc1cn(C)c2ccccc12 2327672113 NVKJIXIJVHDKIR-UHFFFAOYSA-N 437.956 5.163 30 10 IKEE C=CCSc1nnc(COc2ccccc2Cl)n1N=Cc1ccc(C(C)(C)C)cc1 2327674355 CIIOKKFKTQNMMF-UHFFFAOYSA-N 441.000 5.968 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc(CC)cc1 2327956701 FNWNGZGGXBXBFC-UHFFFAOYSA-N 425.001 5.830 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CCCOc2ccccc2)nnc1SCC(=C)C 2328744541 GTCOJCBROYRPES-UHFFFAOYSA-N 448.592 5.405 30 10 IKEE CCCCOc1ccc(C=Nn2c(CCc3ccccc3C)nnc2SC)cc1OC 2329461642 GESRHAUEBRHDDM-UHFFFAOYSA-N 438.597 5.163 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccccc3Cl)n2N=Cc2cc(C)ccc2O)c1 2329551582 RBLTUXQJDOOLLB-UHFFFAOYSA-N 448.979 6.095 30 10 IKEE Fc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2N=Cc2ccccn2)cc1 2329860276 IHUZTJRSEYNZAF-UHFFFAOYSA-N 437.931 5.231 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccccc2)cc1 2330186135 TXDSGTOHPGRYHP-UHFFFAOYSA-N 443.532 5.146 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2)cc([N+](=O)[O-])c1OC(=O)CC(C)C 2330872493 SFVWCVRAFCASBH-UHFFFAOYSA-N 441.480 5.158 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2ccccc2F)nnc1[C@@H]1CCCO1 2330961128 RXKVMIIZWHECNE-NRFANRHFSA-N 438.528 5.008 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2C2CCCC2)cc1 2331019244 BPKJWZZKAMJRHM-UHFFFAOYSA-N 434.609 6.207 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)CCOc1ccccc1 2331077936 SEQXWNLROXIGJJ-UHFFFAOYSA-N 446.499 5.365 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OC(=O)Cc1ccc(F)cc1 2331106133 KHNNKOHOURVPPK-UHFFFAOYSA-N 426.390 5.157 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 2331146163 BKMGXJMIDYRORT-UHFFFAOYSA-N 427.884 6.020 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)c1cccc(F)c1 2331216528 NDIZHEPRVWVCCZ-UHFFFAOYSA-N 434.463 5.575 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1N=Cc1ccc(C)cc1 2331326354 YLODNBVNGCNVOM-UHFFFAOYSA-N 435.597 5.159 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2[N+](=O)[O-])c(Cl)c1)c1ccc(F)c(F)c1 2331557498 CFDJAVDRGBZJGW-UHFFFAOYSA-N 443.789 5.642 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)C(C)C)c(OCC)c2)c1 2331684561 RYTWXIJNJXTIGW-UHFFFAOYSA-N 426.509 5.340 30 10 IKEE Cc1ccc(NC(=S)/N=C(\NCc2cccs2)Nc2nc(C)cc(C)n2)c(Cl)c1 14157184 FSZJUALXJGLGIT-UHFFFAOYSA-N 445.017 5.071 30 10 IKEE CCOC(=O)c1sc(/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c(C#N)c1C 16682984 DVOHHQATJRSWDP-YSURURNPSA-N 433.316 6.422 30 10 IKEE CC(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2C32CCCCC2)cc1 17094541 NDGNIDFAZRZMQA-NRFANRHFSA-N 425.576 6.645 30 10 IKEE Cc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC(C)C)cc2)C3)c1 21242662 ZSEMWDAUPJCYNF-KPURRNSFSA-N 438.571 6.762 30 10 IKEE COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1Cl 21258250 JMKQPZPKJUSTDK-OYLFLEFRSA-N 436.964 6.390 30 10 IKEE CCCCN(CCCC)Cc1c(O)ccc2c1O/C(=C/c1cccc(OC)c1OC)C2=O 37858016 FTAJWFMNFUGUBY-XQNSMLJCSA-N 439.552 5.428 30 10 IKEE Cc1cc(C)c2c(c1)c(C)cc1nnc(S[C@@H](C)C(=O)Nc3sc(C)c(C)c3C#N)n12 40170746 MUGUEMYMIQLEIK-INIZCTEOSA-N 449.605 5.477 30 10 IKEE C=CCc1ccccc1OCCn1c([C@H](C)Oc2ccc(Cl)c(C)c2)nc2ccccc21 40237354 GWNCJMUEGFTWDY-FQEVSTJZSA-N 446.978 6.946 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc3c(c2C)O/C(=C\C=C\c2ccccc2)C3=O)c1 41292755 INXRVVATMMJYIT-MCBOVYRESA-N 442.467 5.404 30 10 IKEE Cc1c(OC(=O)Cc2cccs2)ccc2c1O/C(=C\c1cn(C)c3ccccc13)C2=O 41354553 IWWWMNOAIAGFET-UUYOSTAYSA-N 429.497 5.313 30 10 IKEE C=CCOc1ccccc1[C@@H]1CC(=O)Nc2c1sc(C(=O)O)c2-c1ccc(Cl)cc1 64795514 WSKHQDMOGCCFJC-INIZCTEOSA-N 439.920 5.806 30 10 IKEE CCCCCCCCCCCCCC(=O)Nc1ccc(C(=O)N(CCC)CCC)cc1 100442403 QLHZFDQTULJJMQ-UHFFFAOYSA-N 430.677 7.588 30 10 IKEE O=C1/C(=C\c2ccccc2Br)CCC/C1=C/c1ccccc1Br 104376182 IYUMKWYJTLIPIV-MCOFMCJXSA-N 432.155 6.432 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 164197571 INKPAUTUTFPVOX-VIZOYTHASA-N 445.515 5.316 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2cc(C)cc(C)c2)cc1 169922372 XTDCRTCAMKWHEU-RUZDIDTESA-N 441.527 5.712 30 10 IKEE CCCOc1ccc(Cl)cc1[C@H]1NC(=S)N(CCC)C(C)=C1C(=O)c1ccccc1 169928973 IPPLOLOVFDMSOV-JOCHJYFZSA-N 443.012 5.927 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2ccc(F)cc2)=C(N2C[C@@H](C)C[C@H](C)C2)C1=O 169985747 VZHIHQWRHCCZPT-SFTDATJTSA-N 442.619 6.024 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2cc(Cl)ccc2O)[C@H]1c1cccs1 169987571 WLVTUFQFDAJDHR-NRFANRHFSA-N 439.920 5.209 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@H]2c2ccncc2)cc1 170018205 BWFWEOBYUBKUQX-NRFANRHFSA-N 436.870 5.219 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccccc2)cc1 170028798 YDHCNZMOYUCRSP-XMMPIXPASA-N 427.500 5.485 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 170029361 CWVUYEBWHFYKEB-VWLOTQADSA-N 441.527 5.739 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccccc2)ccc1F 170048912 QLEBNKLFVPLJPW-DEOSSOPVSA-N 429.491 6.040 30 10 IKEE Cn1cc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2ccccc2)c2ccccc21 170083779 VIIGDTZBPVKBMB-VWLOTQADSA-N 447.494 5.443 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@H]1c1ccco1 170092600 KYPSAGZEGDTLEB-FQEVSTJZSA-N 441.842 5.172 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccc(C)o2)c1 170099711 YJUKPCDRGSZMFH-DEOSSOPVSA-N 431.488 5.089 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2sccc2C)cc1C 170106258 ODWSDFYWKNGZNK-OAQYLSRUSA-N 435.520 5.904 30 10 IKEE CCOc1ccccc1NC1=C(c2ccc(Cl)cc2)C(=O)N(c2ccc(C#N)cc2)C1=O 170137219 WECWFOQJGMEQJF-UHFFFAOYSA-N 443.890 5.007 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2cccc(C)c2)cc1 170142219 TUTWYKQPGBSXRX-VWLOTQADSA-N 439.511 5.411 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(O)c(OCC)c1 170148870 KVHGVOOHNNDKQX-DEOSSOPVSA-N 449.547 5.048 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(O)c(OCC)c1 170148872 KVHGVOOHNNDKQX-XMMPIXPASA-N 449.547 5.048 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@H]1c1ccc(OC(C)C)cc1 170152294 KPUQIXBRMBZXHW-JOCHJYFZSA-N 437.536 5.088 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccs2)ccc1Cl 170155623 OLEBXPIPQMCLFG-IBGZPJMESA-N 443.883 5.332 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccs2)cc1C(C)C 170156557 MGNHUEGEBKYDBH-QHCPKHFHSA-N 447.556 5.971 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2cccs2)c1 170157210 DPKADFVYBHADET-QFIPXVFZSA-N 449.528 5.271 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccccc2)cc1 170225884 WOUVBLPWFUWDJY-RUZDIDTESA-N 441.527 5.875 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC)c2)[C@H]1c1ccc(Cl)c(Cl)c1 170246442 HHBMDZWOPSSSLG-LJQANCHMSA-N 434.319 5.380 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccco2)cc1C 170281103 AWZMLIKNOJIYSU-DEOSSOPVSA-N 445.515 5.893 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccco1 170287482 YPRLFSRVHNMQJT-HSZRJFAPSA-N 445.515 5.677 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2ccco2)cc1 170297111 ZQBUDYDSJVDHJX-XMMPIXPASA-N 445.515 5.464 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccc(C)o2)c1 170297783 BXWCKUDVMJMWDY-HSZRJFAPSA-N 447.487 5.167 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2ccc(C)c(C)c2)o1 170301592 OYMSPWDHKWRUTQ-HSZRJFAPSA-N 426.472 5.469 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@@H]1c1c(C)[nH]c2ccccc12 170312346 OYGDDKRNNFDZKW-QHCPKHFHSA-N 432.520 5.172 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]1c1cccc(Oc2ccccc2)c1 170455623 RHCDGKYFAGXECW-JOCHJYFZSA-N 437.536 5.215 30 10 IKEE N#Cc1cc(Br)cc(Nc2ccc(Cl)cc2I)c1 232245185 JKMCTELCIJWSSI-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE CCOc1ccc(/C=C2/SC(=Nc3cccc(C(F)(F)F)c3)N(C)C2=O)cc1OC 252593812 BMJMLUVREAWAQT-OAMOUCEHSA-N 436.455 5.347 30 10 IKEE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)C)cc2)SC1=Nc1ccc(C(C)C)cc1 252621863 NIHKSWNBESYGTQ-HSZRJFAPSA-N 449.620 6.080 30 10 IKEE C=C(C)[C@@H]1CC[C@@]2(C)CC[C@@]3(C)[C@H](CC[C@H]4[C@]3(C)CC[C@H]3[C@@](C)(CO)[C@@H](O)CC[C@@]34C)[C@@H]12 253533546 RFCPTXGFYWKJJB-ZTBHLVNVSA-N 442.728 6.997 30 10 IKEE N#Cc1c(-c2ccccc2)c(-c2ccccc2)n(C2CCCCC2)c1N=CN1CCOCC1 254451612 UATPIXJQBSACKI-UHFFFAOYSA-N 438.575 6.191 30 10 IKEE O=C1CSC(=Nc2cc(Cl)c(Cl)cc2Cl)N1Cc1ccc2c(c1)OCO2 254822086 YTVXTXZNFXSTIH-UHFFFAOYSA-N 429.712 5.139 30 10 IKEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(CSc2cccc(Br)c2)c1 312146115 YFBFJRDAETYBEM-UHFFFAOYSA-N 435.192 5.049 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2cccc(C(F)(F)F)c2)c1 526517731 VNHHVLLNQWTOSJ-IBGZPJMESA-N 426.419 5.696 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1cc(Cl)c(O)c(OC)c1 526807736 FPTHRDSXCOHZTM-FMCGGJTJSA-N 430.961 5.081 30 10 IKEE CCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccc(OC)c(O)c1Cl 526811900 VEYZLAZOGSIYIP-YVNNLAQVSA-N 437.352 5.036 30 10 IKEE CCOc1cc(/C=N\n2cnnc2SCc2cc(C)ccc2C)cc(Cl)c1OC 526818742 YIDLYWKLGPXLDF-MYKKPKGFSA-N 430.961 5.130 30 10 IKEE CSc1nc(O)c(C(=O)Nc2cccc(-c3ccc(Br)cc3)c2)cc1C#N 560992078 ISNQZNFIFYPBJP-UHFFFAOYSA-N 440.322 5.063 30 10 IKEE CCCCc1c(C)c(C#N)c2[nH]c3ccccc3n2c1=Nc1ccc(N(CC)CC)cc1 607737282 XKASPANWLDZMPG-UHFFFAOYSA-N 425.580 6.022 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H]1C(C)(C)[C@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 693750858 GZDSOCRZNUCQIV-MPCDZSKCSA-N 447.620 5.484 30 10 IKEE CC(C)[C@@H]1CC[C@@H](C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 698459216 VSRJUWUMJPSPBF-JLHGSKIFSA-N 435.406 6.545 30 10 IKEE C[C@@H]1N(Cc2ccccc2)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 698888946 BEJGBDLJWIITHI-MHECFPHRSA-N 425.960 5.638 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)cc1 698892337 NHPAMLABUWOMQH-HOYKHHGWSA-N 429.561 5.276 30 10 IKEE O=[N+]([O-])c1ccc(Cl)c(C=Nc2ccccc2N=Cc2cc([N+](=O)[O-])ccc2Cl)c1 1084419591 GJHHTJNNZYXDED-UHFFFAOYSA-N 443.246 6.311 30 10 IKEE C=CC/N=C(/Nc1ccc(Cl)cc1Cl)NC1CCC(CC2CCC(N)CC2)CC1 1088710168 XXIPCWKBEZBGEY-UHFFFAOYSA-N 437.459 6.003 30 10 IKEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2ccc(-c3ccccc3OC)nc2O)c1 1352429198 IESVFLOABANMTE-UHFFFAOYSA-N 440.524 5.353 30 10 IKEE C=C(Cn1c([C@@H](C)CC)nnc1N(CC)Cc1nc(O)c2sccc2n1)c1ccccc1 1690321917 ONIFEGCWSYKRSK-INIZCTEOSA-N 448.596 5.242 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=Nc1cccc(C)n1 1772731128 JOXPRCMAEHQNSO-GIFQUSADSA-N 434.477 5.182 30 10 IKEE Oc1ncc(-c2c(F)c(F)c(F)c(F)c2F)cc1-c1c(F)c(F)c(F)c(F)c1F 1848358518 JQKFALUBYIVALE-UHFFFAOYSA-N 427.197 5.512 30 10 IKEE CCCCCCCCCCn1cc(O[C@H](C)C(=O)c2ccccc2)c(=O)cc1C(=O)O 1857891537 WDIYOBGEWFVIEO-LJQANCHMSA-N 427.541 5.337 30 10 IKEE C=CCN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)[C@@H]1CCN(Cc2ccccc2)C1 1860029976 BCAMPGWHBDELRZ-YLJYHZDGSA-N 433.379 5.050 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2)cc1)ON=C1CCN(Cc2ccccc2)CC1 1860468789 QRNHTSWUOMLCPM-DTQAZKPQSA-N 440.543 5.474 30 10 IKEE CCCCCCCCNC(=O)[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 1861049888 AORZEVOLVHFEGK-OAQYLSRUSA-N 435.395 5.941 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)/C=C/c1cccc(Cl)c1 1861545227 AHJXXOVEUQDAKH-SDFCAVLBSA-N 435.052 6.285 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(CC)cc2)cc1 1862390719 KRFKSILNBOHCLT-SANMLTNESA-N 445.603 6.503 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@H]2c2ccc(Cl)cc2Cl)cc1 1862394164 JPUBXENPTJISAB-FQEVSTJZSA-N 432.347 5.934 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@H]2c2ccc(OCC)c(OC)c2)cc1 1862395509 ZBRJGBRMSLJONZ-QHCPKHFHSA-N 437.536 5.035 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1c(F)cccc1Cl 1862420243 GMCRLLQXTPTSAB-LJQANCHMSA-N 437.845 5.526 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCC)cc1 1862422694 KMMLHYWCHNJCSY-JOCHJYFZSA-N 443.490 5.522 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccccc1Br 1862452696 IPUMCNLKSCGAIO-GOSISDBHSA-N 448.744 5.337 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(OCC)c(OCC)c1 1862454023 NWFWNHLJWVLUQD-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc(C(C)C)cc2)cc1 1862476442 AAYDGAOKLCOTJL-NIDLKEISSA-N 431.576 6.275 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccc(F)cc2F)cc1 1862491287 PHIMUYZMKIZOEJ-XMMPIXPASA-N 447.481 5.669 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(OC)cc1 1862591662 LSXUOAJVRSQBMR-AUSIDOKSSA-N 437.536 5.338 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862595375 APQDFRWMWBNILC-XMMPIXPASA-N 447.531 5.260 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccccc1F 1862615212 IKGNXZNCZWPPPU-HSZRJFAPSA-N 437.555 6.282 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cccc(Cl)c1 1862627736 RNTUYKXEIRQUSF-NRFANRHFSA-N 441.911 5.227 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2cccc(C)c2)cc1 1862649205 SEQKBAIRVZTXCA-MHZLTWQESA-N 447.534 6.235 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(C(C)C)cc2)=C(O)C(=O)N1C1CCCCCC1 1862660116 HZVKEMXOIFFSER-RUZDIDTESA-N 431.576 6.420 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862676675 ONPQSKSLCAOVKU-NYHFZMIOSA-N 446.434 5.073 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc(Cl)cc2Cl)c1 1862705560 AQDLTHGSMVOJEL-IBGZPJMESA-N 434.319 5.236 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1CCCCN(C)C 1862712819 AKHSXUPWMUHKJR-VWLOTQADSA-N 442.559 5.068 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1ccccc1Br)c1ccc2ccccc2c1 1862720023 VRTYPQKTMJNHDL-OAQYLSRUSA-N 448.316 5.343 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2)=C(c2cccc3ccccc23)C1=O 1863221162 TUBQRJWNUKILGF-UHFFFAOYSA-N 426.560 6.392 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2cccc3ccccc23)C1=O 1863223985 CVZMBZUTUBPUBG-KOSHJBKYSA-N 435.527 5.482 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(OC)c2)=C(c2ccc(C)c(C)c2)C1=O 1863245961 WXEFQYFISXGTGI-UHFFFAOYSA-N 434.580 5.865 30 10 IKEE N#Cc1nnn(-c2ccc(Cl)cc2)c1NC(=O)c1c(Cl)ccc(Cl)c1Cl 1870154082 KZOLRWBPSJNTMS-UHFFFAOYSA-N 427.078 5.005 30 10 IKEE C=CCn1cc(OCc2ccc(OC)c(F)c2)c(=O)cc1CSc1ccc(C)cc1 1870242548 AMIXVOOECBTGBV-UHFFFAOYSA-N 425.525 5.362 30 10 IKEE C=CCOc1cn(CCCCCC)c(CNc2ccc(OCCCCCC)cc2)cc1=O 1870813579 RJGLWFSPXADVRR-UHFFFAOYSA-N 440.628 6.565 30 10 IKEE CCCCCCCOc1cn(CCC)c(CNc2cc(NC(C)=O)ccc2C)cc1=O 1870832240 UHOVMUINQUNDIZ-UHFFFAOYSA-N 427.589 5.486 30 10 IKEE CC(C)(C)c1ccc(/C=C2\Oc3c(ccc4c3CN(CCc3ccccc3)CO4)C2=O)cc1 1871344581 NVMCCASPVCJUND-ONUIUJJFSA-N 439.555 5.995 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc4c(c1)OCO4)O3)CN(C1CCCCCC1)CO2 1871352033 MJKBOLDIYXBOBC-FMCGGJTJSA-N 433.504 5.215 30 10 IKEE Cc1cc(OC(=O)c2ccccc2[N+](=O)[O-])cc2c1C(=O)/C(=C/c1ccc(Cl)cc1)O2 1871370813 GHLBPKXCRUTIHR-JAIQZWGSSA-N 435.819 5.392 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2Cl)C3=O)cc1C 1871373072 ZRVLNDQRAZGRAB-YVNNLAQVSA-N 439.294 6.446 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OC(=O)/C=C/c4ccc(Cl)cc4)c3C)C2=O)c1 1871375039 PNMISNLYIGLETA-DIBFYORYSA-N 430.887 6.192 30 10 IKEE Cc1cc(OC(=O)Cc2cc(Cl)ccc2Cl)cc2c1C(=O)/C(=C/c1ccncc1)O2 1871376729 VACNRUONKCHNCO-UKWGHVSLSA-N 440.282 5.461 30 10 IKEE Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)c(C)c1 1871402284 HEBHLTJASUWVPC-WTZXFZKGSA-N 445.490 5.773 30 10 IKEE COc1ccc(OCCCOc2cc(C)c3c(c2)O/C(=C\c2ccccc2OC)C3=O)cc1 1871415673 OBMPLUCGQGZYLH-XYGWBWBKSA-N 446.499 5.476 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(OCC)cc2)[nH]c(N2CCCCCC2)n1 1871529576 CRPWISKYYBGSRL-UHFFFAOYSA-N 440.636 5.589 30 10 IKEE COc1ccc(OC)c(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)c1 1872764906 ASRNSKZHONPNQC-MTCRFPMVSA-N 434.517 5.034 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3cc(C)c(Cl)c(C)c3)n2)cc1F 1872775487 RJZFVSWGEHAWTH-INIZCTEOSA-N 444.915 5.483 30 10 IKEE CCc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc1 1872779516 LIMOZPOSBBSUNW-SFHVURJKSA-N 426.488 5.686 30 10 IKEE Cc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 1872787616 NSSUGRGMBMLWDA-GOSISDBHSA-N 445.371 6.461 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(CC)cc2)=C(c2cccc(OC)c2)C1=O 1873218355 JAYHDDIHLUTSGT-UHFFFAOYSA-N 434.580 5.810 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(Cl)cc2Cl)=C(c2cccnc2)C1=O 1873269528 VCLBVPSOBOXXBX-UHFFFAOYSA-N 446.378 5.941 30 10 IKEE CC(C)Cc1nnc(S)n1/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 1873502199 FQKOVBPBNOEGQX-FOKLQQMPSA-N 435.380 5.533 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccccc1CC)n2CCC 1873619555 HTMPDRAVOYBYHH-UHFFFAOYSA-N 435.616 6.428 30 10 IKEE C(=N/n1c(CC23CC4CC(CC(C4)C2)C3)nnc1SCc1ccccc1)\c1ccco1 1874243638 PWZVKJQYQLJVFX-WGOQTCKBSA-N 432.593 5.805 30 10 IKEE C=C(C)CSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1ccc(C(C)C)cc1 1874261512 JPJNBNANWUFHRE-RPPGKUMJSA-N 442.535 5.809 30 10 IKEE CCSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874329860 DIHALAZJALLTDK-YDZHTSKRSA-N 443.960 5.236 30 10 IKEE Clc1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2Cl)cc1 1874367354 YIDRJCIADUNZMH-AFUMVMLFSA-N 439.371 6.426 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCCCO)nnc2-c2ccccc2Cl)cc1 1874367815 GJAFWFORFGICFN-LFVJCYFKSA-N 444.988 5.134 30 10 IKEE Cn1cccc1/C=N/n1c(Cc2ccc(F)cc2)nnc1SCc1ccc(Cl)cc1 1874381967 RNPBLLUHCMFYOV-AFUMVMLFSA-N 439.947 5.174 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2ccc(Cl)cc2)cc1 1874387339 IBWROFHBVUHJKZ-JVWAILMASA-N 447.007 6.314 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2cccc(Cl)c2)cc1 1874387411 MAMFHEHEGXBOND-JVWAILMASA-N 447.007 6.314 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3ccccc3F)nnc2[C@@H](C)c2ccccc2)cc1 1874395599 QMZBNPVJEVVFMY-XTFCHBONSA-N 444.579 6.306 30 10 IKEE C=C(C)CSc1nnc(CC2CCCCC2)n1/N=C/c1cccc(OC)c1OCCC 1874407920 WBFJCTACUHKDTO-PCLIKHOPSA-N 442.629 5.749 30 10 IKEE CCOc1cccc(/C=N/n2c(CC3CCCCC3)nnc2SCCc2ccccc2)c1 1874408063 DYSKDRVWPKECGE-NHFJDJAPSA-N 448.636 6.017 30 10 IKEE Cc1cccc(CSc2nnc(Cc3cccs3)n2/N=C/c2c[nH]c3ccccc23)c1 1874411950 SXRQVFAKAZBQEH-CVKSISIWSA-N 443.601 5.895 30 10 IKEE Cc1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2cc(Cl)ccc2O)cc1 1874420300 GOFDKTXVPHODCM-FSJBWODESA-N 440.981 5.849 30 10 IKEE Clc1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2ccccc2Cl)cc1 1874424072 SSWMKUVZWWTVAY-FSJBWODESA-N 445.400 6.488 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCCC3)n2/N=C/c2ccc([N+](=O)[O-])cc2)c1 1874455868 OBTWBKCRWOHOBQ-ZVHZXABRSA-N 435.553 5.635 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2C(F)(F)F)cc1 1874461339 JABZSFAEWXPDQJ-WGOQTCKBSA-N 448.514 5.693 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C(F)(F)F)c1 1874462768 FHDNLQSYIPCPJZ-BHGWPJFGSA-N 440.878 5.524 30 10 IKEE CC(C)Cc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccc(O)cc1 1874491002 VIUYODIZOFRVLA-FOKLQQMPSA-N 435.380 5.664 30 10 IKEE COc1cc(/C=N/n2c(SCc3cccc(C)c3)nnc2C(C)C)ccc1OC(C)C 1874512360 UFCUGZLMOYBGPA-AFUMVMLFSA-N 438.597 5.680 30 10 IKEE CCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1c(Cl)cccc1Cl 1874528254 ZCCDJBDBQCCLOP-LSHDLFTRSA-N 425.772 5.975 30 10 IKEE Cc1ccc(COc2cccc(/C=N/n3c(S)nnc3CCc3ccccc3)c2)cc1 1874560873 UIRFQLYOGNOICU-YZSQISJMSA-N 428.561 5.122 30 10 IKEE C[C@H](c1ccccc1)c1nnc(S)n1/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 1874561091 CRXMRQVPIGCFJG-KSXCTLEASA-N 436.625 5.901 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(C)cc2)c1OCC(=O)NC1CCCCC1 1874579368 KFZSGWKBSGMSAD-OUKQBFOZSA-N 441.955 5.381 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccccc1OCC(=O)N[C@@H](C)c1ccccc1 1874592158 PVJAPFTVYFBNTH-SZEUEKNRSA-N 449.934 5.501 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 1874603824 HDJRDENWNUJMJY-NTUHNPAUSA-N 447.918 6.602 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)c(OC)c2)cc1 1874605211 SRKVDROLWDJAOV-ZRNYNZGJSA-N 443.543 5.410 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OCC(=O)Nc1ccccc1C 1874617551 HGORQFKFAPINQG-SDNWHVSQSA-N 443.543 5.924 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3)c(Cl)c2)c2ccccc12 1874638031 FCGIWGGMIYKYJC-SDNWHVSQSA-N 428.915 6.977 30 10 IKEE CCCCCCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1C 1874659295 YLPICZFXNXKGDQ-AREMUKBSSA-N 447.623 5.571 30 10 IKEE CCCCC1CCC(C(=O)Oc2cc(/C=C/C(=O)c3cc(C)ccc3C)ccc2OC)CC1 1874703599 XJAQRLWPRDMBRI-FOWTUZBSSA-N 448.603 7.110 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OC(=O)c1ccc2c(c1)OCO2 1874713574 DFJFLBQUYNTFEL-WEVVVXLNSA-N 430.456 5.156 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1 1874717991 IMHMZYCHYJMCLZ-VZUCSPMQSA-N 437.835 5.372 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc1OC(=O)C1CCCC1 1874718769 NCFOPKYSULGCOI-SDNWHVSQSA-N 430.500 5.849 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc(Cl)c1OC(=O)C(C)C 1875078522 OXOCJKQQKNVLTR-XNTDXEJSSA-N 448.946 6.863 30 10 IKEE O=C(CCOc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1Cl 1875126238 WHPQRAXIIGTMIM-WUXMJOGZSA-N 441.310 6.264 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OC(=O)c1cc2ccccc2n1C 1875127414 CVEXTZDYYQGDHC-OUKQBFOZSA-N 445.902 5.956 30 10 IKEE Cc1cccc(C)c1OCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1Cl 1875128415 XVMMWBUBAVHNES-FYWRMAATSA-N 448.946 6.618 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(Cl)c3)c(OC)c2)cc1 1875131369 UNTLRJLVDGIFED-NTUHNPAUSA-N 436.891 5.863 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(-n4cccc4)cc3)c(Cl)c2)cc1 1875133268 MQFCJGYRRPGZOT-MKMNVTDBSA-N 441.914 6.554 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)COC)c(Cl)c2)cc1 1875159672 VIYWPDIOJWAYJW-RIYZIHGNSA-N 444.955 6.137 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)cc3)c([N+](=O)[O-])c2)c(C)c1 1875183236 QONABAGLTCDWRB-ONNFQVAWSA-N 449.890 6.289 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N(C)C)n2Cc1ccccc1 1875218738 ZREFWBSYSHDDGY-UHFFFAOYSA-N 435.616 5.734 30 10 IKEE CC1(C)CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Br)[C@@H](CN)C1 1927159058 HEGIJTXPGKTBHX-VFNWGFHPSA-N 436.394 5.238 30 10 IKEE CC(C)(C)OC(=O)N(C1CC1)[C@H](C#N)c1c(Br)cccc1Br 1931397574 IYJYHHCHGZDULB-CYBMUJFWSA-N 430.140 5.176 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)NCCC 2009732413 PZSFEUGIXITEHQ-VQTJNVASSA-N 444.538 5.221 30 10 IKEE CN(C)c1ccc(C=CC=NN=C2CC[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]23C)cc1 2040465358 KJCIEPRMJJUJPF-SVMALIFMSA-N 445.695 7.625 30 10 IKEE O=C(C=CNc1ccc(C(F)(F)F)cc1)c1ccc(OCc2c(F)cccc2Cl)cc1 2040739550 RHNBOPXMKPWIMT-UHFFFAOYSA-N 449.831 6.885 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCC12CC(NC(=O)OC(C)(C)C)C2 2064203117 NKSKNOVZOPZKPQ-QJDQLVHXSA-N 441.572 5.466 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCC12CC(NC(=O)OC(C)(C)C)C2 2064203118 NKSKNOVZOPZKPQ-VHNLKAGOSA-N 441.572 5.466 30 10 IKEE C=CCCCC[C@@H](NCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071266796 IPOFOFNCMOWKPL-HHHXNRCGSA-N 429.604 7.242 30 10 IKEE C#CC[C@@H](NCCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071348165 VUHLOYNTLDDRSE-LEAFIULHSA-N 429.560 5.270 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCC2)CC12CCCCC2 2074138381 JKVWTQMNXUEAHR-RUZDIDTESA-N 447.620 5.772 30 10 IKEE CC(C)(C)OC(=O)c1nn(Cc2cc(C(F)(F)F)ccc2F)c(C(F)(F)F)c1Cl 2079181561 VFGNYECJAYAIRI-UHFFFAOYSA-N 446.750 5.717 30 10 IKEE CCCc1ccc([C@@H](C(C)C)n2nc(C3CC3)c(C#N)c2I)cc1 2079857025 XKMJKQLRXWSSQL-LJQANCHMSA-N 433.337 5.435 30 10 IKEE Cc1cc(O)c([C@H](n2nc(C3CCC3)c(C=NO)c2Br)C(C)(C)C)cc1C 2079997413 CHZZOVRHWZSOSQ-IBGZPJMESA-N 434.378 5.679 30 10 IKEE COc1ccc([C@H](n2nc(C(F)F)c(C=NO)c2Br)C2(C)CC2)cc1C 2080042971 NWUSSCAWKSFHBP-HNNXBMFYSA-N 428.277 5.098 30 10 IKEE Cc1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)sc1Br 2082336304 RVBCTNZWXQCXRC-CQSZACIVSA-N 441.778 6.479 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CN(Cc2ccccc2)C2(CCC2)C1 2099248361 NINLUIQAVSPRLF-MHZLTWQESA-N 447.579 5.528 30 10 IKEE CC(C)C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1Nc1cc(Br)ccc1C#N 2149854909 ZSAWKZAJTJHAPI-FUHWJXTLSA-N 436.394 5.404 30 10 IKEE CCCCCCCC[C@@H](NC)[C@@H](O)c1scc(Br)c1Br 2150561372 DSFOEEFZLZLSRM-TZMCWYRMSA-N 427.246 5.645 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)C[C@H]2CCC[C@@](F)(C2)C1 2175555421 FYDGASVQDBDNJI-IWMITWMQSA-N 437.353 6.145 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCCC)c2cc(C)cc(Br)c2)C1 2190668092 FTPBSZBXVIOIDU-LJQANCHMSA-N 437.422 5.659 30 10 IKEE C=CCCCCCC[C@H](O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237383223 HNBYOOICKDXJLN-PMACEKPBSA-N 440.422 5.772 30 10 IKEE N#Cc1cccc(Br)c1Nc1ccc(I)cc1Cl 2257498436 JFPMVIFNBMDMSF-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)[C@@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 2258090854 LBCSPFDLQOHWEW-DXSJEHQWSA-N 447.620 5.532 30 10 IKEE N[C@H](C#CC1CCCCC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2261005085 YWIPWVVNSMHPPP-HHHXNRCGSA-N 425.572 6.428 30 10 IKEE CCCc1ccc(C#CC(=O)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)cc1 2268758013 UJBGDSXSROYBAP-UHFFFAOYSA-N 447.575 5.014 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)c1cc(Br)ccc1Cl 2275823097 CGFBANSYQYPSNZ-HXUWFJFHSA-N 439.733 5.408 30 10 IKEE O[C@H](C#Cc1ccc(Br)cc1)c1ccc(Br)c(Br)c1 2278794823 ZEBZNULMTFKVRO-OAHLLOKOSA-N 444.948 5.059 30 10 IKEE CCN(c1c(Br)cccc1C#N)[C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 2285221220 SVGHOIHHCWBENB-WMZOPIPTSA-N 436.394 5.231 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](CCC(=O)C#Cc2cccc(Br)c2)C1 2296230534 UWGHKSLJACRNQG-PKOBYXMFSA-N 434.374 5.233 30 10 IKEE CC(C)(C)OC(=O)NCCC1([C@H](O)C#Cc2ccc(Br)cc2)CCCCC1 2296284716 UCODTLHOUFUBCH-LJQANCHMSA-N 436.390 5.027 30 10 IKEE CN[C@H](C#Cc1ccc(Br)cc1)CCC[C@@H](NC(=O)OC(C)(C)C)C(C)C 2296294932 YVLSNKGBQRDPBE-VQTJNVASSA-N 437.422 5.108 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@H]2CC[C@H]1C[C@@]2(C)NC(=O)OC(C)(C)C 2307591161 LIIQXISRMMBVMQ-NJEGMPIUSA-N 435.609 5.388 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 2313151654 WGFFHKYTVHPVGM-ZGFBMJKBSA-N 442.644 5.553 30 10 IKEE Cc1ccc(COc2cccc(C=C3SC(=Nc4cccc(C)n4)N(C)C3=O)c2)cc1 2314540761 XRMBZOPTZRESJY-UHFFFAOYSA-N 429.545 5.511 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc(Nc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)c1 2317215765 YTWDKYJLPNBZQW-UHFFFAOYSA-N 445.756 5.125 30 10 IKEE CCOc1cc(C=Nn2c(C)nnc2SCc2ccc(C(C)(C)C)cc2)ccc1OC 2318574198 GZHJVMZODRRNKX-UHFFFAOYSA-N 438.597 5.466 30 10 IKEE Cc1cc(OCc2cccc(Cl)c2)cc2c1C(=O)C(=Cc1c(Cl)cccc1Cl)O2 2321766548 APKBULDRKGDBDY-UHFFFAOYSA-N 445.729 7.150 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc(OCc3ccc(Cl)cc3Cl)c2C)C1=O 2321784420 OKNUBQOIELBIFQ-UHFFFAOYSA-N 441.310 6.506 30 10 IKEE COC(=O)c1ccc(COc2ccc3c(c2C)OC(=Cc2ccc(N(C)C)cc2)C3=O)cc1 2321856639 XQKPUVIIPSAQQR-UHFFFAOYSA-N 443.499 5.043 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccc(CC)cc2)cc1 2322549501 NDWHVMZTZHXFHI-UHFFFAOYSA-N 429.516 5.561 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccccc1OCc1cccc(Cl)c1 2322825189 DRVFOAPWJQXTBP-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc2c(c1C)OC(=Cc1cccc(F)c1)C2=O 2323177108 WGAZKAMVGRERRW-UHFFFAOYSA-N 446.474 5.823 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2cccc(OCc3ccccc3F)c2)cc1Cl 2323306825 QINMGCFKQHXORT-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE CCCOc1ccccc1C=CC(=O)Oc1cc(C)c2c(c1)OC(=Cc1ccccc1)C2=O 2323341536 KKWVIKHFXSZJKG-UHFFFAOYSA-N 440.495 6.019 30 10 IKEE CCCOc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2C)C3=O)cc1 2323460339 XFWULBKPXWHWQP-UHFFFAOYSA-N 440.495 6.019 30 10 IKEE Cc1c(OC(=O)c2cc(Cl)ccc2Cl)ccc2c1OC(=Cc1ccccc1)C2=O 2323582544 GVLLFUYGBBMNNS-UHFFFAOYSA-N 425.267 6.137 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OC(=O)CCOc3ccccc3)cc(C)c2C1=O 2323688025 JIVJQCMTLOMSOJ-UHFFFAOYSA-N 444.483 5.384 30 10 IKEE CCOc1cc(C=NNc2nc(-c3ccc(F)cc3)cs2)cc([N+](=O)[O-])c1OCC 2323865365 SJSKWDOUUBVZKS-UHFFFAOYSA-N 430.461 5.101 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1 2323921565 YGGYWBIXOKAWFT-UHFFFAOYSA-N 436.935 6.613 30 10 IKEE CC(C)c1ccc(C=C2Oc3c(ccc(O)c3CN(CCO)Cc3ccccc3)C2=O)cc1 2324009864 LHFOGEVQMYXZSZ-UHFFFAOYSA-N 443.543 5.126 30 10 IKEE CCCCN(CCCC)Cc1c(O)cc(C)c2c1OC(=Cc1ccc(Cl)cc1)C2=O 2324077842 KBTDEWAEPZJGHH-UHFFFAOYSA-N 427.972 6.372 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OCc1cccc(F)c1 2324191920 OCTXKIGEASXRKG-UHFFFAOYSA-N 428.862 6.492 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCCOc4ccccc4)c3C)C2=O)c(OC)c1 2324220233 BGIKMQMYKZWCGH-UHFFFAOYSA-N 432.472 5.086 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1OCCc1ccccc1 2324332021 WWXQGHSMENMDKQ-UHFFFAOYSA-N 448.990 7.100 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OCc1cccc(F)c1 2324545303 MBCKUUGUEIEXLA-UHFFFAOYSA-N 438.926 6.888 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OCc1ccc(C)cc1 2324545416 HOMGJLUUGOADNC-UHFFFAOYSA-N 434.963 7.057 30 10 IKEE COc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)c(OC)c1 2324647883 ZXWPUONQFKPCIR-OAQYLSRUSA-N 432.545 5.840 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2OC)ccc1OCc1ccc(F)cc1 2324706554 ZNOAFKAMFROMHC-UHFFFAOYSA-N 440.898 6.362 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)C=Cc2cccc(Cl)c2)n1 2324781252 ZHHYKLLARBOAKN-SFHVURJKSA-N 443.355 6.324 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCc4ccc(C(=O)OC(C)C)o4)ccc3C2=O)cc1 2325385249 BJOGMHUIUXNNFW-UHFFFAOYSA-N 432.472 5.602 30 10 IKEE Oc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccccc2F)cc1 2325448721 JUYAZICQXCXIPI-UHFFFAOYSA-N 432.524 5.083 30 10 IKEE O=C(COc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O)Nc1ccc(Cl)cc1F 2325490135 GGBNWBQPGQENQS-UHFFFAOYSA-N 449.865 5.669 30 10 IKEE CC(C)(C)c1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccccc2F)C3=O)cc1 2325552311 CFGJLHZICZBPOU-UHFFFAOYSA-N 445.490 5.757 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(O)c(OCC)c1 2325558999 KFYAVFSTMFFXMZ-UHFFFAOYSA-N 430.961 5.163 30 10 IKEE COc1ccc(CCOc2ccc3c(c2C)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)cc1 2325631686 IBQNJADWALCCBI-UHFFFAOYSA-N 431.444 5.150 30 10 IKEE COc1ccc(CCC(=O)Oc2cccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 2325690130 HDHRLLFLOJXAAB-UHFFFAOYSA-N 431.444 5.038 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2ccc(C)cc2)cc1OC(=O)c1ccco1 2325737999 HCSCKXFLMCHLRB-UHFFFAOYSA-N 441.277 5.474 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2cccc(C=CC(=O)c3cc(C)ccc3C)c2)c1 2325740399 XOZCIAFCBJTQSN-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE Cc1cc(C(=O)C=Cc2cccc(OC(=O)CCCOc3c(C)cccc3C)c2)ccc1F 2325741970 OZPUMIPKLMJTSZ-UHFFFAOYSA-N 446.518 6.412 30 10 IKEE COc1ccc(C=CC(=O)c2cccc3ccccc23)cc1OC(=O)c1ccc(F)c(F)c1 2325749292 GIWFTBIPWAQVAW-UHFFFAOYSA-N 444.433 6.242 30 10 IKEE CCCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccccc1 2325814520 WLRBYWPFZBGLSM-UHFFFAOYSA-N 443.016 5.944 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1cc(Cl)c(OC)c(OC)c1 2326244345 GATUMSUFADOGJE-UHFFFAOYSA-N 448.951 5.215 30 10 IKEE Cc1cccc(CSc2nncn2N=Cc2ccc(OCc3ccccc3)c(Cl)c2)c1 2326374799 UNNWPIBBXLRMRK-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE Cc1cc(C)cc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccccc2F)c1 2326422046 UDRQBUKVUIHZMW-UHFFFAOYSA-N 430.552 5.799 30 10 IKEE Cc1ccc(C=Nn2c(COc3ccc(Cl)cc3)nnc2SCc2ccccc2)cc1 2327557854 GBUBBAHMQPDHCN-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE CCCOc1c(C=Nn2c(Cc3ccc(Cl)cc3)nnc2SCC)cccc1OC 2329090209 KDICYPHCBYCZPY-UHFFFAOYSA-N 444.988 5.314 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccccc3Cl)n2N=Cc2cccc(F)c2)cc1 2329523962 PTIYYIRRUHBABB-UHFFFAOYSA-N 436.943 6.221 30 10 IKEE Oc1ccccc1C=Nn1c(Cc2ccc(F)cc2)nnc1SCc1ccccc1F 2329837453 SSXJBYMFVJMRGR-UHFFFAOYSA-N 436.487 5.027 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)cc3)n2N=Cc2ccc(F)cc2F)cc1 2329936188 PLJOWOHZLKXQJP-UHFFFAOYSA-N 448.542 5.938 30 10 IKEE CCCSc1nnc(Cc2ccc(C)cc2)n1N=Cc1ccc(OCC)c(OCC)c1 2330015977 GTWPBMSTRQDHNQ-UHFFFAOYSA-N 438.597 5.359 30 10 IKEE Cc1ccc(O)c(C=Nn2c(CC3CCCCC3)nnc2SCc2ccccc2C)c1 2330232856 PMRZTEGWGVSEOF-UHFFFAOYSA-N 434.609 5.898 30 10 IKEE Cc1ccc(CSc2nnc(CC3CCCCC3)n2N=Cc2ccc(F)cc2F)cc1 2330234373 BPYYROWJEQPXET-UHFFFAOYSA-N 440.563 6.162 30 10 IKEE Cc1ccccc1C=Nn1c(SCC(=O)Nc2ccccc2C)nnc1-c1cccs1 2330551711 KJUQXTFSPYHTAX-UHFFFAOYSA-N 447.589 5.236 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(SCCc2ccccc2)nnc1-c1ccccc1 2330675006 MKHWWBGXSKLQLP-UHFFFAOYSA-N 442.588 5.949 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Br)c2)ccc1OC(=O)C1CCC1 2331007145 YEJPPUJKFJTBMH-UHFFFAOYSA-N 429.310 5.449 30 10 IKEE Cc1cccc(CSc2nnc(C3CCCC3)n2N=Cc2ccc3c(c2)OCCO3)c1 2331045339 CQAHMAXVLVZBHX-UHFFFAOYSA-N 434.565 5.190 30 10 IKEE C=C(C)CSc1nnc(C2CCCC2)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2331069028 JULAJATZULPAKG-UHFFFAOYSA-N 446.576 5.705 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cnccn2)c(Br)c1)c1ccc(Cl)cc1 2331146319 XZQVODOGYSZABU-UHFFFAOYSA-N 443.684 5.008 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1 2331239217 WKZKYSZSRZPXIC-UHFFFAOYSA-N 441.310 6.507 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cccs3)c(Br)c2)cc1 2331266968 RCPCGCYAYOLVMC-UHFFFAOYSA-N 441.346 5.863 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)[C@H](C)c1ccccc1 2331279018 YWFXZDSPFZSPKA-LJQANCHMSA-N 448.946 6.652 30 10 IKEE CSCCCC(=O)Oc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1Br 2331320716 XKYISABDYWXPLG-UHFFFAOYSA-N 447.394 6.011 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(SCc2cccc(F)c2)nnc1C(C)(C)C 2331382731 ARTTYPXSMRTFFL-UHFFFAOYSA-N 426.561 5.676 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1Cl 2331398851 RJFZENVQWYDAJT-UHFFFAOYSA-N 448.902 5.546 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)CSc3ccccc3)cc2)cc1 2331412574 KYWIDTFZOZNNHZ-UHFFFAOYSA-N 430.569 6.578 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(F)c2)ccc1OC(=O)c1cncc(C)c1 2331463885 AEGHQEZQFBLHTM-UHFFFAOYSA-N 435.451 5.052 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 2331493525 SEKRVCHVPDSTER-UHFFFAOYSA-N 449.890 6.487 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)[C@@H]1CCCO1 2331507830 COOOCEOTPDKQFG-DEOSSOPVSA-N 434.532 5.528 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1OC(=O)COC 2331649160 JKOPYUKLPBDACQ-UHFFFAOYSA-N 430.928 5.420 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2OC)cc1OC 2331715126 FBRYWRLCGNPTGE-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(C)c(C)c2)cc1 2331753590 NZCSPHQCRPBJHM-UHFFFAOYSA-N 434.919 6.389 30 10 IKEE CC[C@@H](CCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)CNC(=O)OC(C)(C)C 2339580373 BRNPYRAGYRPSDU-SZEUEKNRSA-N 446.397 5.046 30 10 IKEE CC#CCN(C[C@H](NCCC)c1cc(F)c(Br)c(F)c1)C(=O)OC(C)(C)C 2363133441 RDDIBORPBNSQIZ-KRWDZBQOSA-N 445.348 5.028 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1coc(C(F)(F)F)n1 2367916512 NSAGTDDKDMJJFQ-ZDUSSCGKSA-N 446.223 5.462 30 10 IKEE COCc1ccc(CN(C(=O)OC(C)(C)C)[C@H](C#N)c2cc(Cl)sc2Cl)s1 2368029793 PVYCIVLBOIEYFG-CQSZACIVSA-N 447.409 6.265 30 10 IKEE COc1cc(/C=N/N/C(S)=N/c2ccccc2)ccc1OCc1cccc(Cl)c1 1969499 JRWYRFJAVIALBM-ZVHZXABRSA-N 425.941 5.469 30 10 IKEE CCC(=O)Oc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)cc1OC 3633806 CYZNXHPBTVKKAQ-HHHXNRCGSA-N 427.500 5.837 30 10 IKEE C=CCn1c(SCc2nc3ccccc3n2-c2ccc(OC)cc2)nnc1-c1ccco1 28190098 HFSAWOLNEYHYMV-UHFFFAOYSA-N 443.532 5.364 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O 33560638 UAOKZUSXPOJRBX-MTJSOVHGSA-N 435.273 5.593 30 10 IKEE CC(C)CN(Cc1c(O)ccc2c1O/C(=C/c1ccc(Cl)c(Cl)c1)C2=O)CC(C)C 37857973 CYVBAAFCNYRZIR-LSHDLFTRSA-N 448.390 6.429 30 10 IKEE O=C1/C(=C/c2ccc(-c3ccccc3)cc2)Oc2c1ccc1c2CN(C[C@@H]2CCCO2)CO1 41660921 YWDQQZIMRXRHPZ-XPUNOZPZSA-N 439.511 5.301 30 10 IKEE Cc1cc(/C=C2/S/C(=N/c3ccc(C(=O)O)cc3)N(C)C2=O)c(C)n1C1CCCCC1 59598984 CPQOIMHHGASAFP-JEBQXDLDSA-N 437.565 5.542 30 10 IKEE CCCC[C@@H]1O[C@H]1CCCCCCCCCCCCCC1=C(O)C(=O)C(C)=C(O)C1=O 100502367 CQYLCXGDVUAPIN-VXKWHMMOSA-N 434.617 6.811 30 10 IKEE CCCCCCCCCCCCCCCCn1c(-c2ccccc2F)nc2ccccc21 101907660 BRHHJHYNFZFWKF-UHFFFAOYSA-N 436.659 9.324 30 10 IKEE CCCCCCCCCCCCCCCCn1c(CNC(=O)CCC)nc2ccccc21 102119675 LNHJHVBVENCJDX-UHFFFAOYSA-N 441.704 7.934 30 10 IKEE CCCCCCCOc1ccc2c(CN3CCC(CC(=O)OCC)CC3)cccc2c1 144284859 WDLKILSWMPHOMZ-UHFFFAOYSA-N 425.613 6.354 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc(C)c(C)c2)=C(O)C(=O)N1c1cccc(C)c1C 169944108 HNOCOJPLQMMKNP-VWLOTQADSA-N 441.527 5.712 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2cccc(C)c2)cc1 169968988 HCOBXTQBXMNKSM-SANMLTNESA-N 449.506 5.940 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)c(C)c2)[C@H]1c1ccc(C(C)(C)C)cc1 169975241 RUHUVKYPBNJMPB-HSZRJFAPSA-N 435.564 5.216 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2cccs2)c1 169983756 CQPXEVMRTGWKIE-HXUWFJFHSA-N 441.455 5.208 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2cccnc2)cc1Cl 170009142 LZXQGNBJEABJQK-HSZRJFAPSA-N 432.907 5.145 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2ccccc2C)cc1 170029984 GLPWLLJSFYPZDH-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3cccc(OCC)c3)=C(O)C(=O)N2C2CCCC2)cc1 170033747 AOOLAXXGUAQNAJ-XMMPIXPASA-N 449.547 5.395 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccccc2)cc1 170052653 XYXLJWGCYFKZEQ-DEOSSOPVSA-N 439.467 5.614 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2ccccc2OC)cc1 170125349 XMCLZXJHHHJWMJ-HSZRJFAPSA-N 437.536 5.253 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(O)cc2)cc1 170135653 KBNGVZVXKAMJPA-DEOSSOPVSA-N 449.547 5.338 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccc(C)c2)c(OC)c1 170142771 VPXDTGQYFVNMOD-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1cccs1 170154109 LLELFYHVPOWXTB-GOSISDBHSA-N 445.949 5.250 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccs2)c1 170154180 JTGPBUKWFMVLRF-FQEVSTJZSA-N 439.558 5.375 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccnc2)cc1C(C)C 170185571 FZQCXOODFAFZEV-DEOSSOPVSA-N 442.515 5.305 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2)cc1C(C)(C)C 170230351 VFTAAHMLVLFNNE-HSZRJFAPSA-N 445.515 5.364 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2F)cc1C 170249475 YTJAQMPERIIUIK-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc(O)c2)c1 170261747 TYIBNKBATVTEFH-HSZRJFAPSA-N 435.520 5.092 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccc2C)cc1 170271528 XRLMRVASCBATLW-VWLOTQADSA-N 441.527 5.875 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4)[C@H]3c3ccccc3C)oc12 170272282 ABJIFIIHRDICCP-QHCPKHFHSA-N 439.467 5.533 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2C)ccc1Cl 170278281 XFDUDXPRGJQGBA-OAQYLSRUSA-N 425.912 5.178 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccco2)c(C)c1 170289297 GFXJCBDRHXQSNF-QHCPKHFHSA-N 431.488 5.467 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2c[nH]c3ccccc23)cc1Cl 170384548 MXZWWHRDXQLHJX-NRFANRHFSA-N 432.863 5.506 30 10 IKEE CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(Oc3ccccc3)cc2)[C@@H]1c1ccc(O)cc1 170450088 FSRYXDVDKWZDGA-HSZRJFAPSA-N 429.472 5.310 30 10 IKEE CCCOC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]2c2cccc(C)c2)c1 170460354 IHGPXIWIPYNAJL-QHCPKHFHSA-N 435.520 5.077 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(C(=O)OCC(C)C)cc2)c1 170460882 GPKFOCNIQGCCFA-XMMPIXPASA-N 449.547 5.323 30 10 IKEE CCOc1cc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(C(C)C)cc2)ccc1O 170463689 QNMUSMAPRYJBCX-QFIPXVFZSA-N 437.536 5.430 30 10 IKEE COc1cc(/C=C\C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)ccc1OCC#N 207659973 DLKHUGXJDUJGES-WQLSENKSSA-N 434.879 5.695 30 10 IKEE CCOc1ccc(N=C2S/C(=C/c3cc(C)n(-c4ccccc4)c3C)C(=O)N2CC)cc1 252595875 CETBOSDRFADZJF-DNKROPNVSA-N 445.588 6.117 30 10 IKEE COc1cc([N+](=O)[O-])cc(C=Nc2cccc(C(=O)Nc3cccc4ccccc34)c2)c1O 254396083 IENSIEMRKBZNOK-UHFFFAOYSA-N 441.443 5.465 30 10 IKEE COc1ccccc1C=NNc1nc(-c2ccccc2)cc(-c2ccc(OC)c(OC)c2)n1 254607452 UZBRLCPPFMLRKH-UHFFFAOYSA-N 440.503 5.282 30 10 IKEE N#Cc1ccc(NCCc2ccc(OCc3ccccc3)cc2)c(F)c1Br 312625937 XIDDYEZTBWDIPB-UHFFFAOYSA-N 425.301 5.693 30 10 IKEE C=CCCCCC[C@H](NCCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 406127511 ACFQNSPKTKYVFK-IBGZPJMESA-N 439.438 6.973 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)cc1Cl)NCC 406136075 PBAZBBCPIQKLCO-IAGOWNOFSA-N 431.802 5.093 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(C)c(Br)c1)NCC 407838914 ZHTOTSIZAMHEGH-OALUTQOASA-N 425.411 5.138 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 526486279 NYUZQFHAAAVLKZ-RUZDIDTESA-N 439.515 5.080 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(F)cc2)cc1 526487042 TXTOLNRFASOZLW-DEOSSOPVSA-N 428.463 5.543 30 10 IKEE CCCCOc1cccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2C#N)c1 526607153 NFTKJGJUKKVHIO-VWLOTQADSA-N 442.490 5.933 30 10 IKEE N#Cc1ccc(CN(Cc2ccccc2F)S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 586134839 BTKQHRCBYLNFQC-UHFFFAOYSA-N 449.334 5.395 30 10 IKEE Cc1nn(C2CCCC2)cc1/C=C/C(=O)c1cc2cc(Br)ccc2oc1=O 606629773 HWEAXRUDLVEKMF-SOFGYWHQSA-N 427.298 5.072 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCO[C@@H](C(F)(F)F)C1 698456344 NFLKOKDNFWOUBR-RHSMWYFYSA-N 449.267 5.194 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 698482786 GMDLXUNDTNBFCZ-HOYKHHGWSA-N 429.561 5.276 30 10 IKEE FC(F)(F)c1cccc(C=Nc2c(-c3ccc(Cl)cc3Cl)nc3ccccn23)c1 1084343224 MJJKQVJGQLVIFP-UHFFFAOYSA-N 434.248 7.078 30 10 IKEE CCCCCCCCCCCCNS(=O)(=O)c1ccc(Br)c(C(=O)O)c1 1615944718 LEWQLAPCBZHJNZ-UHFFFAOYSA-N 448.423 5.347 30 10 IKEE Cc1ccc(C[C@H]2SC(=Nc3ccc(C(=O)O)cc3)N(CCc3ccccc3)C2=O)cc1 1772728057 IDCNDIGOHLGVHI-HSZRJFAPSA-N 444.556 5.110 30 10 IKEE O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=Nc2nccs2)N1C1CCCCC1 1772736367 UIICWMJQZWQYCX-ONVPTEKUSA-N 438.405 6.387 30 10 IKEE Cc1c(N=Nc2ccc(N=Nc3ccccc3)cc2)c(O)n(Cc2ccco2)c(=O)c1C#N 1772741208 ZMZFXXZJFYLSMD-UHFFFAOYSA-N 438.447 6.206 30 10 IKEE N#CCc1cnc(-c2cccc(OC(F)(F)F)c2)c(-c2cccc(OC(F)(F)F)c2)c1 1848361820 LQMQYZDUJNNODO-UHFFFAOYSA-N 438.327 6.279 30 10 IKEE NC(=S)N/N=C\c1cn(-c2ccc(Cl)cc2)nc1-c1ccc(-c2ccccc2)cc1 1857807724 XLPFYPFGIDJXCQ-WGARJPEWSA-N 431.952 5.027 30 10 IKEE CC(C)(C)c1ccccc1NC(=O)c1nc(C(=O)Nc2ccccc2C#N)c2ccccn12 1858242828 IDERVRVFMOFADG-UHFFFAOYSA-N 437.503 5.008 30 10 IKEE C[C@H]1CCc2c(sc(NC(=O)CSc3nc(-c4ccc(N)cc4)cs3)c2C#N)C1 1860820601 VXGMHMJAUKQZEP-LBPRGKRZSA-N 440.619 5.181 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(C)cc2)cc1 1862389606 JMBJCCBXASIOBJ-RUZDIDTESA-N 448.607 5.258 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(C(C)(C)C)cc1 1862420454 LSZDJKSQZRGFCL-LHSJRXKWSA-N 427.491 5.639 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862431279 DBOXUZUUUDOBBR-QHCPKHFHSA-N 449.909 5.820 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cc(Cl)cc(Cl)c1 1862444312 WFYADUDXBPBLAP-BBATYDOGSA-N 438.738 6.024 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1cccc(Cl)c1 1862470137 GLJCMXBHLSCLTR-QGZVFWFLSA-N 434.717 5.091 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCCN(CC)CC)cc1 1862474814 VVUWOMGLKLZMQJ-RUZDIDTESA-N 448.607 5.258 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 1862494352 LDUQASFQYCSQRO-RUZDIDTESA-N 445.603 6.512 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cc(Cl)cc(Cl)c2)c1 1862498248 CYUXJFYYIQYMKT-NRFANRHFSA-N 444.358 6.131 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(F)cc2F)ccc1F 1862503148 RGFNIXMZPPTDOL-FQEVSTJZSA-N 443.446 5.252 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(F)cc2F)cc1 1862534166 PLYADZKVNRMHDT-HSZRJFAPSA-N 433.454 5.306 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccccc2Br)cc1 1862540928 ZFZYNLKJSWJGHO-FQEVSTJZSA-N 442.353 5.246 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(F)cc1F 1862596187 SXIJJPFVEYXXRC-RCDICMHDSA-N 435.426 5.010 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2ccccc2)cc1 1862614946 GUXMKCBMVHSAIW-QHCPKHFHSA-N 445.584 5.867 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(C(C)C)cc1 1862615190 JKERNNXAAHFCOR-DEOSSOPVSA-N 433.592 6.486 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(O)c(O)c1 1862617894 KYTXLKQRXCNTHJ-JOCHJYFZSA-N 437.536 5.020 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(Cl)cc1Cl 1862632588 RVDHFRHJDPETNQ-JEOXALJRSA-N 448.302 5.099 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc(C)c1 1862648914 MHCBQPFNXBOLMD-DEOSSOPVSA-N 429.516 5.153 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1cccc(F)c1)c1cccc2ccccc12 1862650366 UHEAEJQSLPWTOQ-RUZDIDTESA-N 443.518 6.280 30 10 IKEE CCOc1cc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CC(C)C)ccc1O 1862669561 ZCJJICBVRSEEKW-QHCPKHFHSA-N 437.536 5.149 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCCc2ccccc2)[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1 1862672335 AQRVAAYFHSUWAX-XMMPIXPASA-N 447.481 5.566 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc2ccccc12 1862678847 VQSYNFLSZJPBGC-XMMPIXPASA-N 447.506 5.372 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(OCC)cc2)=C(c2ccc(F)cc2)C1=O 1863139002 ZRQRXFOCFAWQMD-UHFFFAOYSA-N 438.543 5.777 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N1CCC[C@@H]1CCC(=O)OCC 1866342512 NXEONXOTTRFRPN-RUZDIDTESA-N 437.709 7.582 30 10 IKEE CCCc1nc(Nc2ccc(C#N)cc2)cc(N2C[C@@H](c3ccccc3)Cc3ccccc32)n1 1868400686 AGRQOQVWOZJAQW-DEOSSOPVSA-N 445.570 6.522 30 10 IKEE C=CCN(CC=C)c1cc(N2CC(C)(C)c3ccccc32)nc(-c2ccccc2Cl)n1 1869240066 OMISZJFLAGBHOG-UHFFFAOYSA-N 430.983 6.405 30 10 IKEE CCCCCCCOc1cn(CCc2ccc(OC)c(OC)c2)c(CSCC)cc1=O 1870252418 RSLRPIYDZCJACE-UHFFFAOYSA-N 447.641 5.711 30 10 IKEE C=CCOc1cn(CCCOCCCC)c(CN(CCCC)CCCCCC)cc1=O 1870384167 UHVGSGMEUAWCRO-UHFFFAOYSA-N 434.665 5.802 30 10 IKEE CCCCCCCCn1cc(OCCCCCCC)c(=O)cc1CN1CCC(C)CC1 1870412608 DZLNQAMRTXYPBA-UHFFFAOYSA-N 432.693 6.790 30 10 IKEE CCCCCCCOc1cn(CCC2=CCCCC2)c(CN(CCC)CCC)cc1=O 1870416848 RJCHPFBPIVXEMN-UHFFFAOYSA-N 430.677 6.710 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCCCCC)cn1CCCCCC 1870418606 RUTCMXLVTJRZRF-UHFFFAOYSA-N 446.632 5.105 30 10 IKEE CCCCCCCCCCn1cc(OCC(N)=O)c(=O)cc1CN(CCCC)CCCC 1870668341 WPVXWWKZECBLEP-UHFFFAOYSA-N 449.680 5.255 30 10 IKEE CCCCCCCCn1cc(OCC)c(=O)cc1CNc1ccc(CC)c([N+](=O)[O-])c1 1870788053 DREIWCGIGDLZSL-UHFFFAOYSA-N 429.561 5.690 30 10 IKEE CCCCCCCOc1cn(CCC)c(CNc2ccc(Cl)c(Cl)c2)cc1=O 1870832569 ZVVFWGACUJZYIZ-UHFFFAOYSA-N 425.400 6.526 30 10 IKEE C=CCn1cc(OCCCCCCC)c(=O)cc1CNc1ccc(OCC)c(OCC)c1 1870833155 ADWMOQZIXPZRDW-UHFFFAOYSA-N 442.600 5.793 30 10 IKEE CCCCCCCOc1cn(C[C@H]2CCCO2)c(CNc2ccc3cc[nH]c3c2)cc1=O 1870833364 GBAOEWUWLYLGSW-HSZRJFAPSA-N 437.584 5.470 30 10 IKEE CCCCCCCOc1cn(CCc2cnc[nH]2)c(CNc2cccc(C)c2C)cc1=O 1870836748 TVWBBJCLQIKZQV-UHFFFAOYSA-N 436.600 5.392 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(O)cc2)c(CNc2ccccc2CC)cc1=O 1870839667 WIQBHGXFLZMJLA-UHFFFAOYSA-N 448.607 6.126 30 10 IKEE Cc1nc(-c2ccc(Oc3ccc(Cl)cc3)cc2)sc1C(=O)Nc1ccccc1C#N 1871283243 DQXVYWWPTMHWPX-UHFFFAOYSA-N 445.931 6.688 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(N(C)C)cc1)O3)CN([C@H]1CCCC[C@@H]1C)CO2 1871351267 RUAZZHCHHKOTNP-WTBALWEVSA-N 432.564 5.408 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)o2)C3=O)c1 1871390077 DLZIBWKABXQVKW-BKUYFWCQSA-N 432.428 5.047 30 10 IKEE COc1ccccc1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1cccc(C)c1)C2=O 1871411249 HFLXMNIXHOORKA-SMNNTEATSA-N 443.499 5.334 30 10 IKEE N#Cc1ccc(COc2ccc3c(c2)O/C(=C\c2cc(Cl)cc4c2OCOC4)C3=O)cc1 1871417629 MYSWLYGPXSWJMD-AQHIEDMUSA-N 445.858 5.273 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(O[C@H](C)C(=O)Nc3ccc(C#N)cc3)cc(C)c2C1=O 1871436096 MGNMVQQSRGWZNI-WTZXFZKGSA-N 438.483 5.197 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3c(F)cccc3F)cc(C)c2C1=O 1871441111 YMHURMANACQSFM-NHDPSOOVSA-N 435.426 5.215 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(C(C)C)cc1)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1871830438 VZGYEVCGGKTEMC-DEOSSOPVSA-N 442.625 5.267 30 10 IKEE C=C(C)CN([C@@H](C)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872212734 HTDMMENMQHSXEI-FQEVSTJZSA-N 442.625 5.195 30 10 IKEE N#C[C@@H](C(=O)Cc1ccccc1[N+](=O)[O-])c1nc(-c2ccc(Cl)cc2Cl)cs1 1872762338 JTQPUOIVKZFQNQ-AWEZNQCLSA-N 432.288 5.444 30 10 IKEE CCc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2cc(Cl)ccc2OC)cs1 1872788108 DIGQJMJIVPLUHV-KRWDZBQOSA-N 426.925 5.290 30 10 IKEE N#Cc1ccc(NC(=O)c2ccc3nc(CCCOc4ccccc4Cl)[nH]c3c2)cc1 1872804840 NEAGNEKQQBBIEQ-UHFFFAOYSA-N 430.895 5.352 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc(COc2cccc(N(CC)CC)c2)cc1 1872865045 MUMCYFLQUIUDIR-UHFFFAOYSA-N 438.656 6.982 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H]2CCCC[C@@H]2C)=C(c2cccc(OC)c2)C1=O 1873048777 URVUFBGVPIIBJC-UGKGYDQZSA-N 426.601 5.304 30 10 IKEE C=CCN1C(=O)C(NC2CCCCCCCCCCC2)=C(c2ccc(Cl)cc2)C1=O 1873138359 NBFFNIXKGXXRBJ-UHFFFAOYSA-N 429.004 5.869 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(CCCC)cc1)n2Cc1ccco1 1873614885 ICGIIKQEGQOUHQ-UHFFFAOYSA-N 429.524 5.265 30 10 IKEE C=CCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1ccc(Cl)s1 1873685304 JBWNBNGNVULUFN-UHFFFAOYSA-N 434.970 5.091 30 10 IKEE CCCSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1sccc1C 1874223765 CCDITVAWOVIVNO-XQNSMLJCSA-N 428.627 5.606 30 10 IKEE Fc1cccc(CSc2nnc(Cc3cccc4ccccc34)n2/N=C/c2ccco2)c1 1874270885 UIVRNJJZEKAUAP-JVWAILMASA-N 442.519 5.929 30 10 IKEE CCSc1nnc(CCc2cccc(OC)c2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874309043 BGGDFGNKNOONJS-AFUMVMLFSA-N 434.487 5.085 30 10 IKEE C=CCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccccc1OC(C)C 1874342792 JHUUQUMYXYOXFJ-BUVRLJJBSA-N 426.973 5.470 30 10 IKEE CCCOc1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCC)cc1OCC 1874380368 OYMAMTYZDTWITQ-PCLIKHOPSA-N 442.560 5.190 30 10 IKEE Cc1ccc(CSc2nnc([C@H](C)c3ccccc3)n2/N=C/c2cccc(C)c2)cc1 1874391461 IEFZYWWMQZEJEI-ADIMLFFHSA-N 426.589 6.221 30 10 IKEE Cn1cc(/C=N/n2c(SCc3ccccc3)nnc2-c2cccs2)c2ccccc21 1874422544 RSRNJZOKVXVWEZ-ZVHZXABRSA-N 429.574 5.673 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCCc2ccccc2)nnc1[C@H]1CCCO1 1874445380 CUEUWQIJRVNEQT-RYEBZEHMSA-N 436.581 5.135 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2ccccc2F)nnc1C(F)(F)F 1874460659 ZHPSPOFYQTVDJL-BRJLIKDPSA-N 438.450 5.399 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C2CCC2)cc1OC 1874494885 JPIARALTHXOHPN-AFUMVMLFSA-N 440.544 5.267 30 10 IKEE CCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1/N=C/c1ccc(C(C)C)cc1 1874522250 JWURIDVVJRBCIL-AFUMVMLFSA-N 435.597 5.194 30 10 IKEE CCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874526783 GVSACJZAFHQCAU-AFUMVMLFSA-N 438.597 5.428 30 10 IKEE COC(=O)c1ccc(COc2ccc(Cl)cc2/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)o1 1874575573 USJNYYXWBIGDRT-RUDMXATFSA-N 441.823 5.103 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OCc1ccc(F)cc1 1874604171 YWNHLTQNXZXCEV-NTEUORMPSA-N 446.518 6.197 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)cc([N+](=O)[O-])c1OCCc1ccccc1 1874611325 HSOGDUIDUBOKGV-BUHFOSPRSA-N 447.487 5.520 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OCC(=O)Nc1ccccc1 1874622896 BEPGMRAGVBVUDF-JQIJEIRASA-N 437.495 5.762 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OCc1ccc(F)cc1 1874633385 ZQAITXZGGIJADJ-GXDHUFHOSA-N 430.519 6.655 30 10 IKEE CCCCCCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(OC)cc1 1874683598 ZPHGKSITNASUOK-RUZDIDTESA-N 449.595 5.593 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)CCOc3ccccc3)c2)cc1 1874694565 JOCBVCXBPHRADZ-RVDMUPIBSA-N 430.500 5.528 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)[C@H](C)Oc3ccc(Cl)cc3)c2)c(C)c1 1874716381 PKVIYWKISHMUTL-BNCSFYMNSA-N 448.946 6.534 30 10 IKEE C=CCN(CC=C)CCC(=O)c1ccc(OC(=O)CCCOc2ccccc2C(C)C)cc1 1874748374 AOLNQGLPFNYRKE-UHFFFAOYSA-N 449.591 5.821 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1 1875080476 KQRUDQRWCUWAKQ-XQNSMLJCSA-N 440.583 7.906 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccc2c(c1)CCCC2 1875096849 IMMGBLDVODXVNC-KPKJPENVSA-N 440.583 6.583 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(C)=O)c(OCC)c2)cc1OCCC 1875124231 VMRUZFFLFXQYNW-DHZHZOJOSA-N 426.509 5.484 30 10 IKEE C[C@H](C(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1Cl)c1ccccc1 1875125801 BLKYCCMSZDLLFL-UDYBNVKDSA-N 425.311 6.599 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3c(C)cccc3C)cc2)cc1 1875129513 GGLYAPQTGPPPBD-LICLKQGHSA-N 430.500 5.583 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OC(=O)C1CC1 1875149639 ZWMXOTGHUNNLJZ-AWNIVKPZSA-N 426.940 6.248 30 10 IKEE Cc1cncc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc4ccccc34)cc2[N+](=O)[O-])c1 1875155458 YJHJTRPRROYFSI-PKNBQFBNSA-N 438.439 5.567 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2[N+](=O)[O-])cc1 1875155492 GCTJCTQSFVQZTC-LNKIKWGQSA-N 445.471 5.842 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)CCc2ccccc2C)cc1 1875181987 HCNVPAHJBQWRQI-GXDHUFHOSA-N 448.946 6.400 30 10 IKEE O=C(Nc1c(F)c(F)c(F)c(F)c1F)N1CC[C@H](Cc2ccc(C(F)(F)F)cc2)C1 1892030072 KNCWYALNWNOASN-SNVBAGLBSA-N 438.318 5.497 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@H](C#N)[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1892785537 MYVPIDOTCRHYED-WOJBJXKFSA-N 441.572 5.105 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@H](C#N)c1cc(Cl)cc(Br)c1 1912203575 FCWICHKWGOAHNS-CQSZACIVSA-N 428.718 5.605 30 10 IKEE CCCN(C(=O)OC(C)(C)C)[C@]1(C#N)CN(Cc2ccccc2)C2(CCCCCC2)C1 1950506147 XOEMVMWNPHRBHO-AREMUKBSSA-N 425.617 5.895 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)[C@@H]2CCCC[C@H]21 2058928102 DNYLETRAZWXCLV-FHAGJXEFSA-N 441.572 5.500 30 10 IKEE CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2067953206 HQMHLHCLEOMTCX-YADARESESA-N 447.551 5.495 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 2082159732 CRBUAZJNYOKAKW-OSWQYVSFSA-N 443.588 5.712 30 10 IKEE C#CCN1CCC[C@@H](NCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1 2139344629 BGMRYZVRMNAIQM-HHHXNRCGSA-N 440.587 5.032 30 10 IKEE CC(C)C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)Nc1cccc(Br)c1 2149841022 GGNRQONTSQVMDV-KKSFZXQISA-N 436.394 5.426 30 10 IKEE CC(C)(C)OC(=O)NCC[C@@H]1CCC[C@@H](Nc2cc(Br)cc(F)c2C#N)C1 2163701504 ZAQKCXOTWACLCG-DZGCQCFKSA-N 440.357 5.345 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](CNc2cc(Br)cc(F)c2C#N)CC12CCC2 2173320521 QDKUVRDHDBDTBX-ZDUSSCGKSA-N 438.341 5.051 30 10 IKEE N#Cc1ccc(N)cc1-c1sc(Br)c(Br)c1Br 2216493524 HFLCEOPTCHUPLX-UHFFFAOYSA-N 436.954 5.156 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1sc(C)c(Br)c1C 2218938737 QPTARSKUKYUBII-HOCLYGCPSA-N 431.440 5.638 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCCC)c2cc(Cl)c(Cl)c(Cl)c2)C1 2232524021 JJNRTQNBZGFOQT-KRWDZBQOSA-N 433.807 6.301 30 10 IKEE CC[C@H]1CC=C(C(=O)[C@H](Cc2ccccc2Br)NC(=O)OC(C)(C)C)CC1 2237427347 XOKVIPBRNJKBHG-KXBFYZLASA-N 436.390 5.591 30 10 IKEE CC(C)(C)N(Cc1ccccc1)C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1Cl 2247915478 CRAWMNRDFXJNJM-UHFFFAOYSA-N 427.781 5.080 30 10 IKEE Cc1cc(NC(=O)OC(C)(C)C)ccc1NC(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1 2255797360 FORBVLKVJDOJES-UHFFFAOYSA-N 430.354 5.297 30 10 IKEE C=CC[C@@]1(COc2ccc(Br)cc2[N+](=O)[O-])CCCN1C(=O)OC(C)(C)C 2287689252 XIDMCVFWUCHVLD-IBGZPJMESA-N 441.322 5.082 30 10 IKEE CCN[C@H](C#CC1CCCCC1)c1ccc(Br)cc1I 2289688376 UDHZKFUQNMBCLT-QGZVFWFLSA-N 446.170 5.288 30 10 IKEE CCc1ccc(N=C2NC(=O)C(=Cc3ccc(Sc4nc5ccccc5[nH]4)o3)S2)cc1 2297053704 YNCSCLNDOVUXRG-UHFFFAOYSA-N 446.557 5.761 30 10 IKEE O=C1NC(=Nc2ccccc2Cl)SC1=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 2297200027 HNZGPYSFIOWBMD-UHFFFAOYSA-N 448.853 6.510 30 10 IKEE CCCCCCCCCCCC1=C(O)C(=Nc2ccc(Cl)cc2Cl)C=C(O)C1=O 2297628345 AWAAYYIABMMQLY-UHFFFAOYSA-N 438.395 7.824 30 10 IKEE CC(=Nc1ccc(Cl)cc1)c1c(-c2ccccc2)nn(-c2ccc([N+](=O)[O-])cc2)c1O 2297746839 IEASGLBYHJHDNV-UHFFFAOYSA-N 432.867 5.947 30 10 IKEE C=C1C[C@@H]1[C@H](NCCC)c1sc(Br)c(Br)c1Br 2302837388 UZYQOEOOZFNTIL-XVKPBYJWSA-N 444.030 5.652 30 10 IKEE CCOc1ccc(C=C2SC(=Nc3cccc(C)n3)N(c3ccccc3)C2=O)cc1OC 2314540420 PRAMNXRWAPCPDI-UHFFFAOYSA-N 445.544 5.606 30 10 IKEE CCN1C(=O)C(=Cc2cccc3ccccc23)SC1=Nc1nc(-c2ccccc2)cs1 2314543638 JDXAFCLLBBHESA-UHFFFAOYSA-N 441.581 6.587 30 10 IKEE Cc1nnc(N=C2SC(=CC(Cl)=Cc3ccccc3)C(=O)N2C2CCCCC2)s1 2314546975 ANJKLGWEKDLBBO-UHFFFAOYSA-N 445.013 5.906 30 10 IKEE O=C(O)c1cccc(N=C2SC(=Cc3cccc(Cl)c3)C(=O)N2C2CCCCC2)c1 2314547185 DUFPFOCMVKKHQE-UHFFFAOYSA-N 440.952 5.975 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCc4cc(Cl)cc5c4OCOC5)ccc3C2=O)cc1 2321876789 COLXEPCPADKODF-UHFFFAOYSA-N 448.902 5.964 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2cccc(F)c2)cc1OC 2322350287 VDSVSRGNYJAQBH-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE COc1cccc(C=C2Oc3c(cc4c(c3C)OCN(CCc3cccs3)C4)C2=O)c1 2322416497 QFACMBVFZSCOSZ-UHFFFAOYSA-N 433.529 5.076 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(OC)c2)cc(OC)c1OCc1cccc(Cl)c1 2323504210 XFESSRHOJSBRCS-UHFFFAOYSA-N 448.946 6.561 30 10 IKEE CCOc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2cccc(C)c2)C3=O)cc1 2323511581 SUVZXVSMJQVETP-UHFFFAOYSA-N 426.468 5.629 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)C=Cc4ccc([N+](=O)[O-])cc4)c3C)C2=O)o1 2323601929 KECATEAGRFMUJK-UHFFFAOYSA-N 431.400 5.040 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)ccc1OCc1cccc(Cl)c1 2323620121 YIOKIBPZLJINES-UHFFFAOYSA-N 427.327 6.867 30 10 IKEE Cc1c(OC(=O)c2c(Cl)ccc(Cl)c2Cl)ccc2c1OC(=Cc1ccco1)C2=O 2323656130 FUNVEBWHXRJOJB-UHFFFAOYSA-N 449.673 6.384 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCCc3ccccc3)c(Br)c2)c(C)c1 2323857941 FTVROGUBWXHQMJ-UHFFFAOYSA-N 435.361 6.584 30 10 IKEE COc1ccc(Br)cc1C=NNc1nc(-c2c(C)cc(C)cc2C)cs1 2323865294 GKXKOJCYXZZOKY-UHFFFAOYSA-N 430.371 5.952 30 10 IKEE COc1cccc(C=C2CN(Cc3ccccc3)CCC2=O)c1OCc1cccc(C)c1 2323865860 LHFHOJMUUIJHDE-UHFFFAOYSA-N 427.544 5.441 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)N(CC)CC)c(OCC)c2)cc1 2323934273 KSWXMUGLZYFOAU-UHFFFAOYSA-N 439.552 5.017 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OCc1ccccc1Cl 2323943589 FPAOYYMVDLIMMU-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE Cc1ccc(COc2ccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)cc2[N+](=O)[O-])cc1 2324349187 JFZGDTQFLLBJSY-UHFFFAOYSA-N 429.516 6.612 30 10 IKEE Cc1ccc(OCCCCOc2cc(C)c3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1 2324589119 NZZWCKPDQDIGCM-UHFFFAOYSA-N 440.539 6.714 30 10 IKEE Cc1cc(C)c(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(Cl)cc3Cl)n2)c(C)c1 2324787741 LXNQJTBXTYHMFM-SFHVURJKSA-N 441.383 6.932 30 10 IKEE Cc1c(OCC(=O)Nc2ccc3ccccc3c2)ccc2c1OC(=Cc1cccs1)C2=O 2324960372 ZKWWCLOEQATFSF-UHFFFAOYSA-N 441.508 5.843 30 10 IKEE O=C1C(=Cc2ccccc2)Oc2cc(OCc3c(Cl)ccc(Cl)c3Cl)ccc21 2325168637 RQTGRFUKXVEJMS-UHFFFAOYSA-N 431.702 6.842 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)c1 2325721793 FGPWQWWQLPQBTI-UHFFFAOYSA-N 431.463 5.385 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)cc1OC(=O)C1CCC1 2325755980 RUTSLOUSWOKMRQ-UHFFFAOYSA-N 435.303 5.612 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2cccc(OC(=O)c3cccs3)c2)cc1Cl 2325759600 GJHAWASXVODNCQ-UHFFFAOYSA-N 428.893 5.534 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(F)cc3)c2)cc1C 2325769976 DCHMLKKWZLUSBO-UHFFFAOYSA-N 434.463 5.575 30 10 IKEE CCCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccc(CC)cc1 2326140026 UCKUCCSDKIUYEB-UHFFFAOYSA-N 443.016 6.074 30 10 IKEE CCCSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1ccccc1OC 2326405852 KZYWUVRBWMMABZ-UHFFFAOYSA-N 438.597 5.299 30 10 IKEE CCCCOc1cccc(C=Nn2cnnc2SCc2c(Cl)cccc2Cl)c1 2326511656 YPDSBPULAJUGIY-UHFFFAOYSA-N 435.380 5.938 30 10 IKEE COc1cccc(C=Nn2cnnc2SCc2cccc(F)c2)c1OCc1ccccc1 2326724300 KOSDLAXHPHNVRM-UHFFFAOYSA-N 448.523 5.179 30 10 IKEE CCCSc1nnc(COc2ccccc2OCC)n1N=Cc1cccc(OCC)c1 2326848953 DTYIJFUEHLYWRE-UHFFFAOYSA-N 440.569 5.039 30 10 IKEE Clc1ccc(CSc2nnc(COCc3ccccc3)n2N=Cc2ccc[nH]2)cc1 2329360995 QEVPZUDZTVCHOV-UHFFFAOYSA-N 437.956 5.151 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2F)n1N=Cc1ccc(O)cc1O 2330108808 XIZXCUMXQPNBQM-INIZCTEOSA-N 448.523 5.155 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1cccc([N+](=O)[O-])c1 2330621873 IHPCKPIMUXKTRD-UHFFFAOYSA-N 431.488 5.613 30 10 IKEE Cc1cccc(C=Nn2c(CC(C)(C)C)nnc2SCC(=O)Nc2c(C)cccc2C)c1 2330835089 PMPLTICQRFZUIJ-UHFFFAOYSA-N 449.624 5.405 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2ccc(F)cc2)nnc1[C@H]1CCCO1 2330910316 LKBRBHCZQHWIBT-OAQYLSRUSA-N 440.544 5.232 30 10 IKEE Clc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2[C@H]2CCCO2)cc1 2330967909 PUMHMPRPZVOITC-GOSISDBHSA-N 433.364 5.611 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Cl)c(OC(=O)c2cncc(C)c2)c(OC)c1 2331051113 RYQQQKZDZBHZPB-UHFFFAOYSA-N 437.879 5.176 30 10 IKEE C[C@H](C(=O)Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1Cl)c1ccccc1 2331092569 VMMCEFROVVGVJO-HNNXBMFYSA-N 426.846 6.223 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(C)c(C)c1 2331131603 WLSKBXHIJAXYEB-UHFFFAOYSA-N 434.919 6.471 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1 2331189836 KIFGDGRFTIFUHC-UHFFFAOYSA-N 431.444 5.417 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)COCc3ccccc3)c(Cl)c2)c(C)c1 2331224328 MISARQTXYBGQIO-UHFFFAOYSA-N 434.919 5.975 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)CCCOc1cccc(C)c1 2331293743 XHGILIQRIRNWAH-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE COc1ccccc1C=Nn1c(CC(C)C)nnc1SCc1c(Cl)cccc1Cl 2331461063 FSLHPZXPJYMWDI-UHFFFAOYSA-N 449.407 5.967 30 10 IKEE O=C(Cc1ccccc1)Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1Cl 2331472436 SXJILXPLCHHSQK-UHFFFAOYSA-N 426.899 6.537 30 10 IKEE COc1ccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2)cc1 2331512715 QNGKCZGTSODQFG-UHFFFAOYSA-N 434.463 5.495 30 10 IKEE O=C(COc1cc(F)ccc1F)Oc1ccc(C=CC(=O)c2ccc(F)cc2)cc1Cl 2331523227 JDQUVJKFXULJTB-UHFFFAOYSA-N 446.808 5.638 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccccc2OC)cc1 2331741506 OEEBLBZBXZQVSD-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE Cc1c(Cl)cc(CN2CC[C@@](C)(B3OC(C)(C)C(C)(C)O3)C2)cc1Br 2342549383 YLQKGSHDTBIYML-LJQANCHMSA-N 428.607 5.469 30 10 IKEE CSc1cc(Oc2ccc(Br)c(NC(=O)OC(C)(C)C)c2)ccc1C#N 2353832356 QHRXUIKUAZDYTO-UHFFFAOYSA-N 435.343 6.182 30 10 IKEE C=CCCCCCC[C@H](NC)[C@H](O)c1sc(Cl)cc1I 2366646599 XNWWNVMMTRWCOU-JSGCOSHPSA-N 427.779 5.154 30 10 IKEE C#CCOc1ccc(/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2C(F)(F)F)cc1OCC 2168790 HJULPJCFRCYCER-SFQUDFHCSA-N 448.828 5.099 30 10 IKEE O=C(/C(=C\c1c[nH]c2ccccc12)c1nc2ccccc2[nH]1)c1ccc(OC(F)F)cc1 12619719 FJJQMFYEXUTOTN-CPNJWEJPSA-N 429.426 6.069 30 10 IKEE CCCn1cc(CN/C(=N\C(=O)c2cccc(Cl)c2)Nc2ccc(C)cc2C)c(C)n1 32972855 PJHCRTYBQMYYGX-UHFFFAOYSA-N 437.975 5.270 30 10 IKEE CCc1ccc([C@@H]2C3=C(C[C@@H](c4ccc(O)c(OC)c4)CC3=O)Nc3onc(C)c32)cc1 33321100 WBGLFIYLTVLZBJ-KOSHJBKYSA-N 430.504 5.218 30 10 IKEE C=CCN(CC(=O)N(Cc1ccc(F)cc1)Cc1ccc(C)s1)C(=O)c1cccs1 33545988 JJUALBCCGPPRSX-UHFFFAOYSA-N 442.581 5.114 30 10 IKEE CCOc1cc(/C=C2/CC/C(=C/c3cc(Cl)c(O)c(OCC)c3)C2=O)cc(Cl)c1O 33670699 QQAKAVJMPISDNX-DUGOVBPYSA-N 449.330 6.032 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)/C=C\c3ccccc3)c(OC)c2)c(OC)c1 34955175 MNSCIUQKCIEYPT-JTEUSPMESA-N 444.483 5.227 30 10 IKEE COc1ccc2c(c1)CC[C@@H]1[C@@H]3C/C(=C/c4ccc(OC(F)F)cc4)C(=O)[C@@]3(C)CC[C@@H]21 35718233 SDYMIDMUFXWPCF-DUEZLBFVSA-N 438.514 6.415 30 10 IKEE C=CCN(CC(=O)N1N=C(c2ccc(C)cc2C)C[C@@H]1c1ccc(C)cc1)C1CCCC1 36342503 QXKLBYOKTHZJST-HHHXNRCGSA-N 429.608 5.720 30 10 IKEE C/C(=C1/S/C(=N/c2cccc(C(=O)O)c2)N(C2CCCCC2)C1=O)c1ccc(N)cc1 39866882 UIIHYVSQKHPCNC-SYUAUQEVSA-N 435.549 5.294 30 10 IKEE CCCCCCCOc1cccc(NCC(=O)Nc2ccccc2OC[C@H]2CCCO2)c1 100090131 ARLARQAVXFCBHJ-HSZRJFAPSA-N 440.584 5.644 30 10 IKEE C=CCOc1ccc(/C=C2\S/C(=N/c3ccc(C(=O)O)cc3)N(CC)C2=O)cc1Cl 100936346 XRQLQLXPKOJMNV-ZOVWXIRQSA-N 442.924 5.227 30 10 IKEE CCCCCCCCCCCCOC(=O)/C=C/c1ccc(/C=N/c2ccc(O)cc2)cc1 101005782 AYHIVNPGXMQGOA-ZNAULMSRSA-N 435.608 7.620 30 10 IKEE CN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)S/C1=N/c1nc(-c2ccccc2)cs1 101130062 PTECVQMRNPSKKU-FLIKEUPFSA-N 446.384 6.351 30 10 IKEE CCCCCCCCCCCC(=O)N1CCC2(CC1)NC(=O)c1cc(Cl)ccc1N2 102999847 AQUSAPZXNLOPGB-UHFFFAOYSA-N 434.024 5.735 30 10 IKEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2cccc(Cl)c2)cc1 103222801 AIPXHOOUQFXYBZ-HQMFNGAOSA-N 438.936 5.348 30 10 IKEE C=CCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@@H](c1ccccc1)N(Cc1ccc(C)cc1)CC2 105023111 CUBSDPUTKIWKAF-SKCUWOTOSA-N 440.587 5.212 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\Nc2nc(C(C)C)cc(=O)[nH]2)cc1OC 169896446 WVNPUKZCKZOXEV-UQQQWYQISA-N 428.577 5.477 30 10 IKEE COc1cc(/C=N\Nc2nc(-c3ccc(Cl)cc3)cs2)cc([N+](=O)[O-])c1OC(C)C 169940327 DGHNWZDDYGOHDO-YVNNLAQVSA-N 446.916 5.614 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2ccccn2)c1 169994363 UQXVNFXFQONEQZ-QFIPXVFZSA-N 448.906 5.225 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccc(F)cc2)cc1 170061289 QNIMWFHXCJLETH-XMMPIXPASA-N 429.491 5.788 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@H]2c2ccc(F)cc2)cc1 170061685 VOSBGANAOMJGMQ-DEOSSOPVSA-N 429.491 5.733 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccccc1F)c1cccc(Cl)c1 170070865 GOVVLTRCTLYKLV-HXUWFJFHSA-N 442.273 5.915 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)[C@H]2c2ccco2)c1 170094887 WURWFVMYKPBXFR-QHCPKHFHSA-N 447.487 5.248 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccc(O)cc2)c1 170132079 SLEAWDDFCWTKOW-XMMPIXPASA-N 443.499 5.271 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(O)cc2)ccc1OC(C)C 170132850 KFGXUJDINMMWCL-DEOSSOPVSA-N 443.499 5.271 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2cccc(F)c2)c1 170140187 APFLKKCTPOSTTL-VWLOTQADSA-N 437.470 6.070 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1cccc(OCC)c1 170218282 AODLHFMSCOTVKY-HSZRJFAPSA-N 437.536 5.171 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2C2CCCC2)c1 170218702 TXNDQZMGICMMKJ-HSZRJFAPSA-N 431.488 5.352 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccccc2)c1 170226445 SHZBLYADXVOJSM-QFIPXVFZSA-N 449.890 5.140 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccc(F)cc2)cc1 170239274 RHDWYWXVZDCMQW-HSZRJFAPSA-N 447.462 5.101 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1c[nH]c2ccccc12)c1cccc(Cl)c1 170254222 YYHXDMPMZCKQAW-QFIPXVFZSA-N 428.875 5.604 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2CCCOC)cc1 170266975 KXHGDQQWIUUESW-XMMPIXPASA-N 449.591 5.470 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(Br)cc2)=C(O)C(=O)N1c1ccccc1 170272130 QAXSQWRNPIEHOI-OAQYLSRUSA-N 448.316 5.540 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1C 170275350 NUCLVFRIJHBICX-HSZRJFAPSA-N 433.548 5.531 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccco1 170282198 CJCUDRDAPQFGTM-QFIPXVFZSA-N 449.478 5.508 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2c2cccc(F)c2)o1 170299042 LTHUSNZVZJYRAD-HSZRJFAPSA-N 449.478 5.545 30 10 IKEE COc1ccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cccc(OC(F)(F)F)c2)cc1 170426185 VCZWVVLPLLCUQU-SFHVURJKSA-N 449.425 5.109 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc3c(c2)OCO3)cc1 170467737 HYQKNCBSVCPUGH-QFIPXVFZSA-N 445.471 5.089 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2nc3c(F)cc(F)cc3s2)[C@H]1c1cccs1 170477207 QPPYDYANVWZMKE-HNNXBMFYSA-N 434.489 5.151 30 10 IKEE CC(=NOC(=O)c1cc(-c2cccc(C)c2)nc2ccccc12)c1ccc(C(C)(C)C)cc1 254555680 FNMKGNDPGBXBIT-UHFFFAOYSA-N 436.555 7.089 30 10 IKEE CCCCN1C(=O)/C(=C2/Sc3ccccc3N2CC)SC1=Nc1ccc(O)cc1C 254760084 ULSQZXFNDKOYGK-JSYGVCDLSA-N 439.606 5.865 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccccc2OC)cc1 526517781 WLQBXLMSAVFWCM-VWLOTQADSA-N 440.499 5.413 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccc(F)c2)cc1Cl 526520098 GBQPSXHTIYARGL-HSZRJFAPSA-N 448.881 5.807 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2sccc2C)cc1OC 526606201 ISTAHFVLLPTAEE-NRFANRHFSA-N 432.501 5.003 30 10 IKEE CCN(Cc1ccccc1)c1ccc(/C=N\n2cnnc2SCc2ccc(C)cc2)cc1 526803588 BRHCOYWZHPBZED-QRQIAZFYSA-N 441.604 5.788 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1cccc(OCC)c1O 526811388 JGBBYYZBPQJVDF-MYYYXRDXSA-N 438.597 5.516 30 10 IKEE COc1ccc(C)cc1S(=O)(=O)N(CCCC#N)c1ccc(Oc2ccccc2)cc1 586246735 ADXXMLQCLGVQNQ-UHFFFAOYSA-N 436.533 5.295 30 10 IKEE C=C(C)CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(OC(C)C)cc1 586259987 VOHYEDPEAHYFHA-UHFFFAOYSA-N 437.561 6.038 30 10 IKEE CSCc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)cc1 724752369 OBBJFUJICFIGHQ-IBGZPJMESA-N 447.398 6.318 30 10 IKEE N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)c1nc(O)c2c3c(sc2n1)CCCC3 731287406 ALUAMVUYSCZGKW-XUVXKRRUSA-N 439.540 5.409 30 10 IKEE Cc1ccc(Cn2nc(C)c(/C=C\C(=O)c3ccc(C(F)(F)F)nc3O)c2Cl)cc1 731564413 DRCQVAZXRJEZIN-CLFYSBASSA-N 435.833 5.217 30 10 IKEE CCCCCCCCOc1ccc(N=Cc2cc([N+](=O)[O-])ccc2N(CC)CC)cc1 1083844359 ZOWTVBCBVGRYSS-UHFFFAOYSA-N 425.573 6.931 30 10 IKEE CC(=NNc1nc(SCC(=O)Nc2cc(C)ccc2C)n[nH]1)c1ccc2ccccc2c1 1084134852 DYVHNIQISLFADL-UHFFFAOYSA-N 444.564 5.142 30 10 IKEE CN(C)N=C(Sc1ccc(Cl)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1088685826 FYMVSZQCFMHOKE-UHFFFAOYSA-N 426.813 6.393 30 10 IKEE COc1ccc(C=Nn2cc(-c3ccc(Cl)cc3)nc2SCc2ccccc2)cc1 1088699382 NFVIONBYKQGOBJ-UHFFFAOYSA-N 433.964 6.387 30 10 IKEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CC1(CC(C)C)CC1 1722278072 OSYMXZMEUKDDEK-MRXNPFEDSA-N 445.405 5.000 30 10 IKEE CC(=C/c1ccccc1)/C=C1\SC(=NN=Cc2ccc(O)cc2)N(Cc2ccco2)C1=O 1772757523 GWPCDCHUSNSEHY-ZXESJXJZSA-N 443.528 5.438 30 10 IKEE C=CCNC(=O)Oc1cccc2c(NC(=O)/C=C/c3ccc(OCC)c(OC)c3)cccc12 1858940469 UHCCFJVDMSHBOK-FYWRMAATSA-N 446.503 5.173 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)c1cc(OC)ccc1[N+](=O)[O-] 1861340959 LXZWVDVGTPAGHV-NRFANRHFSA-N 449.592 5.149 30 10 IKEE O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 1861858057 ASWMCCVSRMHEMI-CQSZACIVSA-N 448.382 5.714 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(C(=O)O)cc1 1862384590 VVVJRGJRKVAOFH-ADLMAVQZSA-N 448.302 5.068 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(Cl)c(Cl)c1 1862443664 NWSJHAZOWSHBCE-ADLMAVQZSA-N 438.738 6.024 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862445211 QWVAJJIZZJOGLH-XMMPIXPASA-N 449.978 6.371 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cccc(Cl)c1)c1c(F)cc(F)cc1F 1862464367 VOBZNMLDTICFEU-HXUWFJFHSA-N 449.856 5.668 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862477642 ZIWUTZLKBFYGPJ-HOYKHHGWSA-N 427.500 5.343 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(C(=O)O)cc2)c1 1862493103 IEKRRDWTGXEJQV-QHCPKHFHSA-N 447.531 5.303 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(Cl)c(Cl)c1 1862508939 UEPUYPFIKKVPAN-HXPMCKFVSA-N 436.310 5.818 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cccc(O)c1 1862544679 ISLRNCYOMDULBC-WSNNEZGNSA-N 445.559 5.428 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCCO)cc1 1862651737 BPXHXKZGZXPGJU-XMMPIXPASA-N 443.543 5.098 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862654242 KLZJRYAHPVGANB-QHCPKHFHSA-N 444.487 5.372 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccccc2F)cc1 1862660988 AORZLZUTSHPODA-RUZDIDTESA-N 447.550 6.418 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(O)c(O)c2)cc1 1862661948 FEYYKRKDLDWNHP-QHCPKHFHSA-N 435.520 5.132 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCC)cc1 1862667494 CJUPLMULTKLEOJ-DEOSSOPVSA-N 435.564 5.977 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(OCCCCC)cc1 1862670777 BUTMBDIFAUYXLL-VWLOTQADSA-N 447.575 6.143 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc(OC)c1 1862672745 GDWYQOSJJTUDFH-REWPJTCUSA-N 439.527 5.772 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(F)cc2)cc1 1862672780 GSHLULQLJUIOLF-UPCLLVRISA-N 447.481 5.867 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1Cl 1862675782 UAUZERAHOCTQTK-OYHNWAKOSA-N 435.882 5.819 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(O)cc1 1862687440 LDCLWVFVWBOIES-XXBNENTESA-N 437.536 5.338 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2c(Cl)cccc2Cl)cc1 1862690232 KFXKQAVLTNALFC-FQEVSTJZSA-N 448.346 5.626 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc3cc[nH]c3c2)c1 1862702112 VBVBGDXOJHKPDY-OHOZJJFFSA-N 444.531 5.334 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(F)cc2F)C1=O 1862937744 VHTCXNNYBXLYMS-UHFFFAOYSA-N 449.844 5.195 30 10 IKEE C=CCN1C(=O)C(NCCCCCCCCCC)=C(c2cc(Cl)ccc2Cl)C1=O 1863727563 UQLBDILNNNQQDK-UHFFFAOYSA-N 437.411 5.990 30 10 IKEE C#CCOc1cn(CCCCCC)c(CNc2ccc(Cc3ccccc3)cc2)cc1=O 1871008858 QOKNDMPMWFYXPT-UHFFFAOYSA-N 428.576 5.644 30 10 IKEE C=CCn1cc(OCc2ccccc2Cl)c(=O)cc1CNc1ccc(CCCC)cc1 1871241913 GJWFPJKUSXEHHH-UHFFFAOYSA-N 436.983 6.221 30 10 IKEE Cc1c(Cl)cccc1NCc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CC(C)C 1871251768 VYPHIVFAUGBZDT-UHFFFAOYSA-N 435.955 5.529 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3c(ccc4c3CN([C@@H]3CCCC[C@H]3C)CO4)C2=O)c1 1871350598 MDHKGTCUGRVCJV-VOMFCJEISA-N 435.520 5.051 30 10 IKEE CCc1ccc([C@H](C)N2COc3c(cc4c(c3C)O/C(=C\c3ccc(F)cc3)C4=O)C2)cc1 1871360265 ZPBYKAWOIBSORU-GQMTYKABSA-N 443.518 6.226 30 10 IKEE Cc1cc(OC(=O)/C=C/c2ccco2)cc2c1C(=O)/C(=C/c1c(Cl)cccc1Cl)O2 1871369251 BRRZGYOUJDNPIJ-VOGWKXNRSA-N 441.266 6.130 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OC(=O)c4cccc(OCC(C)C)c4)ccc3C2=O)c1 1871378889 FAJJXLJLIOWRKR-MXAYSNPKSA-N 428.484 5.865 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc(OC(=O)CCOc4ccccc4)c3C)C2=O)cc1 1871384359 XNDKFZKEDHCTEX-ULJHMMPZSA-N 444.483 5.384 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3c(ccc(O)c3CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)C2=O)cc1 1871394166 IGMFZPXGSPMGKS-OUGWPBTBSA-N 445.603 6.532 30 10 IKEE COc1cccc(/C=C2\Oc3c(CN4C[C@@]5(C)C[C@H]4CC(C)(C)C5)c(O)cc(C)c3C2=O)c1 1871394367 UBXDIZICFSXFAF-OPLNFVGMSA-N 447.575 5.726 30 10 IKEE Cc1cccc(OCCCCOc2ccc3c(c2C)O/C(=C\c2cccc(Cl)c2)C3=O)c1 1871403476 NLPNVMMYROOCPF-UQQQWYQISA-N 448.946 6.811 30 10 IKEE Cc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O 1871404264 KKMPBVBLBVSZDB-YOBACFSGSA-N 433.891 5.671 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCCOc4cccc5ccccc45)cc(C)c3C2=O)o1 1871415676 OEWXIWDSBBNEKM-MYYYXRDXSA-N 426.468 6.124 30 10 IKEE Cc1c(OCCOc2ccccc2F)ccc2c1O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 1871417742 YVKUWDBFUCJQKH-HMAPJEAMSA-N 435.407 5.116 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(Cl)cc2C)[nH]c(N(C)CCCC)n1 1871568621 ZINQEURNUOJJRK-UHFFFAOYSA-N 433.044 6.008 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(C)c(C)c1)[C@@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1871910896 MGIBKVALMAFIIC-MHECFPHRSA-N 442.625 5.150 30 10 IKEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1 1872008071 NCUGKYFWQHPVNG-QGZVFWFLSA-N 449.016 5.232 30 10 IKEE N#C[C@@H](C(=O)CCc1ccc(Cl)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872759387 MZJBBZJQHYRMCI-QHCPKHFHSA-N 442.971 6.940 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccc4ccccc4c3)n2)cc1 1872764667 UKNFQHZOTGYUGT-HSZRJFAPSA-N 442.540 6.007 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1C 1872787300 GOBWSTKPTLHTHX-INIZCTEOSA-N 441.896 5.487 30 10 IKEE C=CCc1ccccc1OCc1ccc(C(=O)Nc2ccc(OCC)c(OCC)c2)cc1 1872859378 OFYMJZWIEUOHMO-UHFFFAOYSA-N 431.532 6.044 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H]2CCCC[C@@H]2C)=C(c2ccc(Cl)cc2)C1=O 1873138456 RCPJBSINIGDCRY-GHTZIAJQSA-N 431.020 5.949 30 10 IKEE Sc1nnc(-c2cccs2)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1873504024 YTSSGUCSBFAXAT-WSDLNYQXSA-N 426.954 5.410 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C(C)C)cc2)cc2c(NCc3cccc(C)c3)ncnc21 1873617494 SRYOXZNEHJMCPS-UHFFFAOYSA-N 439.563 5.914 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc3nc[nH]c3c1)n2CCC 1873620105 UOOCEHUEUBQMSH-UHFFFAOYSA-N 447.587 5.742 30 10 IKEE CCCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1/N=C/c1cccnc1 1874195667 ASZYWFPZKVHLLH-NLRVBDNBSA-N 437.613 5.367 30 10 IKEE CCCOc1ccc(/C=N/n2c(Cc3cccc4ccccc34)nnc2SCCC)cc1 1874271458 XEWLZISYRUPFJL-ZXVVBBHZSA-N 444.604 6.195 30 10 IKEE CCOc1ccc(/C=N/n2c(CCc3ccccc3Cl)nnc2SC)cc1OCC 1874276193 YVXVCRWVGPJPIY-BUVRLJJBSA-N 444.988 5.118 30 10 IKEE CCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccccc1OC(C)C 1874276569 SFPOSQQDXNICNN-BUVRLJJBSA-N 428.989 5.498 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874283176 TVUCUCUKYOTXDD-YDZHTSKRSA-N 441.944 5.175 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccncc2)c(C)c1 1874327357 JUBRCPKQMYWIAQ-CVKSISIWSA-N 429.549 5.043 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccc(C)c(C)c3)n2/N=C/c2cccnc2)c1 1874330875 JTFYRYIPNXOBJR-OGLMXYFKSA-N 441.604 5.558 30 10 IKEE COc1ccc(Cc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccc(C)cc2)cc1 1874350523 QIZTUACCLGNXCH-JVWAILMASA-N 446.551 5.500 30 10 IKEE C=C(C)CSc1nnc(CCc2cccs2)n1/N=C/c1cccc(OC)c1OCC 1874371719 NIDZJDLUSBCKPQ-OEAKJJBVSA-N 442.610 5.083 30 10 IKEE CCc1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2C)cc1 1874379352 NPKBREGNWVFEJZ-OGLMXYFKSA-N 444.579 6.053 30 10 IKEE CCCSc1nnc(Cc2ccccc2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874418696 DONWNPRFCGXTKD-ZXVVBBHZSA-N 442.588 5.832 30 10 IKEE C=CCSc1nnc(-c2cccs2)n1/N=C/c1ccc(OCCC)c(OCC)c1 1874423049 RWGPONCZQPSQLE-PXLXIMEGSA-N 428.583 5.354 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccccc2Cl)c1 1874439660 MEBGDLCUIUEAAD-ZMOGYAJESA-N 428.989 5.709 30 10 IKEE CC(C)COC(=O)CSc1nnc(CC(C)(C)C)n1/N=C/c1ccc(C(C)(C)C)cc1 1874440486 DDUUQWHKACOKMX-AFUMVMLFSA-N 444.645 5.338 30 10 IKEE CCN(CC)C(=O)CSc1nnc(C2CCCC2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874452023 ZKWCFGVKAXLZRL-PCLIKHOPSA-N 441.645 5.076 30 10 IKEE C=C(C)CSc1nnc(C(F)(F)F)n1/N=C/c1ccc(OCc2ccc(C)cc2)cc1 1874460209 NFFDYPFGFROOMR-RPPGKUMJSA-N 446.498 5.735 30 10 IKEE O=[N+]([O-])c1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2-c2ccco2)cc1 1874468694 UFIQCENGEBCAGO-WSDLNYQXSA-N 439.884 5.274 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2C2CCC2)cc1 1874496015 QOMPONNKQYBYEF-WGOQTCKBSA-N 434.609 6.126 30 10 IKEE O=[N+]([O-])c1cc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CC2)ccc1Cl 1874520333 DDHGLSVEGVJNLW-LSHDLFTRSA-N 448.335 5.545 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/n2c(S)nnc2CCC)cc1OCC 1874558548 KINQJJOVCUYITI-HKOYGPOVSA-N 432.634 5.930 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)c1 1874580219 CVXSLMSEDFKMSU-CCEZHUSRSA-N 426.943 7.585 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Br)cc2)c(Br)c1OC 1874593594 RNLQBRFRCKUUDC-WEVVVXLNSA-N 426.104 5.125 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OCc3cccc(F)c3)c2)cc1OCCC 1874594430 JOPKMAJWWYWSAP-ACCUITESSA-N 448.534 6.878 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OCC(=O)Nc1ccc(F)cc1 1874595594 UINLACBHFPBFOI-SWGQDTFXSA-N 439.870 5.401 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OCc2c(Cl)cccc2Cl)c1 1874601105 UNYIKYQLBZOPMZ-CSKARUKUSA-N 447.745 7.131 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Cl)cc1Cl 1874605893 KSIUZOYWOSPJHS-LFYBBSHMSA-N 428.271 6.377 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1 1874616725 PHJJQNXHMQPRLW-LAINMTBBSA-N 443.543 5.628 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(OC)c(OCc2ccc(F)cc2)c(OC)c1 1874620340 USLNWAUPWZZTDX-DHZHZOJOSA-N 436.479 5.635 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OCc2ccccc2C)c(Cl)c1 1874624680 PVYIBJHGLVZHIW-JLHYYAGUSA-N 448.990 7.430 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2ccc(OCc3ccccc3F)cc2)cc1Cl 1874631329 WZQPSRUFZBNRGF-FMIVXFBMSA-N 426.871 5.971 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cccc(C)c3)c2)cc1 1874701696 GOOXAPKSNALBRJ-RIYZIHGNSA-N 430.500 5.908 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2ccc(C)cc2)cc1OC(=O)C1CCC1 1874702742 HPXKLQAKNYUEMC-ZHACJKMWSA-N 429.310 5.368 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1OC(=O)c1ccc(F)c(F)c1 1874704628 VQLZYMAGKLNLFN-WEVVVXLNSA-N 438.426 5.406 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(OC)c(OC(=O)Cc3ccc(C)cc3)c(OC)c2)c1 1875102641 LDMRDVGKJKLUGJ-OUKQBFOZSA-N 446.499 5.065 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3c(C)cccc3C)cc2)cc1C 1875107462 RFCYEVMNJNLAED-GXDHUFHOSA-N 430.500 5.501 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2Cl)cc1C 1875116487 DTNMJIFKEYEVCQ-VZUCSPMQSA-N 449.890 5.909 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC(=O)CCc1ccccc1C 1875123096 VTCNZXBMBBYEPZ-JLHYYAGUSA-N 434.919 6.091 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)c(Cl)c1)c1ccccc1 1875128363 WRCJVNQWCUMUII-COTUQKQKSA-N 437.322 6.599 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OCC)cc2)cc(OC)c1OC(=O)c1cccs1 1875130880 WMYRBCVKZFPRTJ-NTEUORMPSA-N 448.540 5.999 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)c1ccccn1 1875134232 OGEYTXAYMDYRDR-ACCUITESSA-N 427.500 5.551 30 10 IKEE Cc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)c(Cl)c3)cc2Cl)c1 1875135401 OTFAJPGYELCTRB-WEVVVXLNSA-N 445.729 7.071 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1Cl 1875139318 CIALGQNOWJACAP-JLHYYAGUSA-N 448.946 6.400 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)c1cccc(C)c1 1875141337 ZEVQAGJCRDOFLH-JXMROGBWSA-N 438.882 6.220 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)Cc1ccccc1 1875166929 VKAKGBPSBCMPKW-JLHYYAGUSA-N 430.500 5.365 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OC(=O)c1ccccc1 1875168451 CSYKKJFMMZNRRJ-OUKQBFOZSA-N 444.527 6.053 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cc(Cl)c(OC(=O)C2CCC2)c(OC)c1 1875179741 YCPYFBXTYOEZJX-BQYQJAHWSA-N 449.330 5.921 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)ccc1OC(=O)C(F)(F)F 1875192623 UPHGHABGOVRIGC-DHZHZOJOSA-N 444.405 5.611 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)C(C)(C)c3cccc(Cl)c3)ccc21 1890546322 RHWXIHHZROTSFK-UHFFFAOYSA-N 426.944 5.194 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](O)c1c(C)sc(C)c1Br 1922055601 SQXRVTDHGVMRBP-NHCUHLMSSA-N 438.431 5.302 30 10 IKEE CC1(C)C[C@H]([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)N(C(=O)OC(C)(C)C)C1 1945905144 BXKKQCJHKAOMAK-RTBURBONSA-N 435.609 5.484 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1[C@@H](C2CC2)CCN1C(=O)OC(C)(C)C 1950328222 FYCVTHWZGMZNJG-SGNDLWITSA-N 428.617 5.163 30 10 IKEE N#Cc1ccc([C@H](CCNC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)O)s1 1951949874 RTRMLYITWLKOMK-MRXNPFEDSA-N 446.528 5.107 30 10 IKEE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(C#N)(CC)CC 1985181489 WSNZKRFJZVBWEW-HOYKHHGWSA-N 447.579 5.138 30 10 IKEE C=CC[C@H](C)[C@@H](NCCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997462226 RUMJUKOWPDJUFZ-POGFHVCPSA-N 430.633 5.411 30 10 IKEE CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2032542386 VHFFTMSVKQDLRN-CLOONOSVSA-N 443.588 5.748 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]12CCC[C@]1(F)CN(C(=O)OC(C)(C)C)C2 2052200487 JKDXVOVLXMXSFK-HRNNMHKYSA-N 446.607 5.257 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1CCN(C(=O)OC(C)(C)C)C12CCCC2 2058056448 GKQGNPSBJWFMMD-BJKOFHAPSA-N 442.644 5.697 30 10 IKEE CCOc1cc(-c2nc3ccccc3n2CC#N)ccc1OCc1ccc([N+](=O)[O-])cc1 2060405865 NGDDDCNUBGGPFX-UHFFFAOYSA-N 428.448 5.113 30 10 IKEE N#C[C@@]1([C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCCCO1 2071358458 SUOJTSAOLMBCMJ-RRPNLBNLSA-N 429.516 5.341 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@H]2CN(C(=O)OC(C)(C)C)C(C)(C)C2)c1 2073119577 RZWQOZYHOXEEGH-QUCCMNQESA-N 443.588 5.664 30 10 IKEE Fc1ccc(C(F)(F)F)cc1Cn1nc(C2CC2)c(Br)c1C(F)(F)F 2079026974 MBBXJDLITMUHPK-UHFFFAOYSA-N 431.149 5.748 30 10 IKEE CCCc1ccc([C@@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C2(C)CC2)cc1 2079875963 BXRMJXQHWFQGJC-LJQANCHMSA-N 430.390 5.847 30 10 IKEE CC(C)c1ccc([C@@H](C2CC2)n2nc(C3CC3)c(C#N)c2I)cc1 2079929139 QKJNJQXEWWKAQN-IBGZPJMESA-N 431.321 5.360 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCC)c2c(C)sc(C)c2Br)C1 2126631591 ZNUWMXPNUXJLFI-QGZVFWFLSA-N 443.451 5.639 30 10 IKEE Cc1cc(Br)c(C(=O)N(CCC#N)C(C)(C)C)cc1NC(=O)OC(C)(C)C 2181049537 YAFUVIFPLBBFMB-UHFFFAOYSA-N 438.366 5.259 30 10 IKEE N[C@H](C#Cc1ccccc1)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2191332529 ZLGWZBYBHNKKNA-OFSOJUDTSA-N 449.550 5.257 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCN[C@H](C2CCC2)C1 2194162172 YNJYOFLADNXKFQ-GHTZIAJQSA-N 434.378 5.005 30 10 IKEE CC#CCCC[C@H](NCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237399115 PZGNCYZKLJFOSK-PMACEKPBSA-N 437.422 5.057 30 10 IKEE C=CCN(CC[C@@H](N)c1cc(Br)cc(C(C)(C)C)c1)C(=O)OC(C)(C)C 2272997330 UCVZEKBEKXHNIP-GOSISDBHSA-N 425.411 5.560 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Cl)cc1[C@H](N)C#Cc1cccc(Br)c1 2278792514 BOLAZYINIGLAED-QGZVFWFLSA-N 435.749 5.501 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCC(Nc3c(Br)cccc3C#N)CC2)C1 2285178724 IIESSXXIEFQSDV-UHFFFAOYSA-N 434.378 5.302 30 10 IKEE C=CC[C@]1(COc2cc(F)cc(Br)c2N)CCCN(C(=O)OC(C)(C)C)C1 2287764606 LNVHODIRYLKOPG-FQEVSTJZSA-N 443.357 5.143 30 10 IKEE C[C@@H](CC(=O)C#Cc1cccc(Br)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2296222342 QXYKORUKURQOGE-WMZOPIPTSA-N 434.374 5.043 30 10 IKEE CCC[C@@]1([C@H](N)C#Cc2ccc(Br)cc2)CCCCN1C(=O)OC(C)(C)C 2296310746 NGRZVFYDJFNTAF-KNQAVFIVSA-N 435.406 5.088 30 10 IKEE CC(C)c1ccc(C=C2Oc3c(ccc4c3[C@H](c3cccc(O)c3)CC(=O)O4)C2=O)cc1 2297591760 SRRCNBDSXVCQOE-NRFANRHFSA-N 426.468 5.573 30 10 IKEE Oc1c(C=NCc2ccc(Cl)cc2)c(C(F)(F)F)nn1-c1nc2ccccc2s1 2297739753 SMFUSADQVLGPBX-UHFFFAOYSA-N 436.846 5.479 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2c2nccs2)cc1 2314475003 PAKPXSNVLRWBJL-QFIPXVFZSA-N 446.528 5.114 30 10 IKEE O=C1C(=CC=Cc2ccccc2[N+](=O)[O-])SC(=Nc2cccnc2)N1C1CCCCC1 2314540498 RIRRVVYPFVMSLJ-UHFFFAOYSA-N 434.521 5.483 30 10 IKEE CCN1C(=O)C(=Cc2c[nH]c3ccccc23)SC1=Nc1nc(-c2ccccc2)cs1 2314543763 LVYNAAQSNLNGQC-UHFFFAOYSA-N 430.558 5.915 30 10 IKEE Cc1csc(C#C[C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)n1 2316454668 RJQXGJSGFTVHAP-XMMPIXPASA-N 441.552 5.695 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCC3(CN(C(=O)OC(C)(C)C)C3)C2)c1 2317509973 OVCWVKSWSLULHH-VWLOTQADSA-N 441.572 5.420 30 10 IKEE COc1cc(C=NNc2cccc(C(=O)O)c2)ccc1OCc1c(Cl)cccc1Cl 2318413457 FMZMQFPWXJERIH-UHFFFAOYSA-N 445.302 5.725 30 10 IKEE Cc1ccc(CSc2nnc(C)n2N=Cc2ccc(OCc3ccccc3C)cc2)cc1 2321068665 ADXITFSSCWTLBW-UHFFFAOYSA-N 442.588 5.957 30 10 IKEE COc1ccccc1CN1COc2cc(C)c3c(c2C1)OC(=Cc1sccc1C)C3=O 2321993916 SOJVIGXLHOXIOM-UHFFFAOYSA-N 433.529 5.342 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(Cl)cc1)C3=O)CN(Cc1ccccc1F)CO2 2322350341 KHUZQKYKUUWCMO-UHFFFAOYSA-N 435.882 5.756 30 10 IKEE COC(=O)COc1ccc(Br)cc1C=CC(=O)c1ccc(Cl)cc1Cl 2322381426 VZEFZBZTPLGESJ-UHFFFAOYSA-N 444.108 5.204 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCC(=O)OCC(C)C)cc1C 2322415109 AFIPZHSUVGAWGW-UHFFFAOYSA-N 446.927 5.140 30 10 IKEE C=C(C)COc1c(C=CC(=O)c2ccc3c(c2)OCO3)cc(Br)cc1OC 2322699018 VEAHMSNHJGWEJK-UHFFFAOYSA-N 431.282 5.037 30 10 IKEE CCc1ccccc1NC(=O)COc1ccccc1C=CC(=O)c1ccc(OC)cc1OC 2322904199 YGBBTOPBMQOTPS-UHFFFAOYSA-N 445.515 5.180 30 10 IKEE Cc1ccccc1NC(=O)COc1cccc(C=CC(=O)c2ccc3c(c2)CCCC3)c1 2323057573 BXHNJGFWVDOYAM-UHFFFAOYSA-N 425.528 5.787 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)CCCOc4ccccc4C)cc(C)c3C2=O)cc1 2323176555 KYRMGNGHRATGRI-UHFFFAOYSA-N 442.511 5.993 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C=Cc1ccc(C(C)C)cc1 2323260153 BSAFLJNQTBBDII-RPBOFIJWSA-N 442.644 5.042 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1Cl)C2=O)c1cccc(F)c1 2323288786 BIUMZRLYZMHORE-UHFFFAOYSA-N 429.230 5.968 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccccc1)C2=O)C(Br)=Cc1ccccc1 2323445887 PMWODVGOVLDVIO-UHFFFAOYSA-N 447.284 5.644 30 10 IKEE COc1ccc(OC)c(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2sccc2C)C3=O)c1 2323486883 NJRZSYJINAHQRK-UHFFFAOYSA-N 448.496 5.309 30 10 IKEE COc1ccc(OC)c(C=C2Oc3cc(OC(=O)C=Cc4cccs4)ccc3C2=O)c1 2323517785 QUMFWGDXZXRFKT-UHFFFAOYSA-N 434.469 5.000 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cc1 2323628525 WXAGVFYRORUNSM-UHFFFAOYSA-N 439.870 5.401 30 10 IKEE CCn1cc(C=C2Oc3c(CN(C)C4CCCCC4)c(O)cc(C)c3C2=O)c2ccccc21 2324074034 ZMCPXKPUHVWWPI-UHFFFAOYSA-N 444.575 6.056 30 10 IKEE Cc1cc(O)c(CN(C)C2CCCCC2)c2c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O2 2324077278 GSNBNIQMMKIRSH-UHFFFAOYSA-N 446.374 6.388 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OCC(=O)Nc1ccccc1 2324356765 UKFUSFHHHUSYDI-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2cccc(F)c2)C3=O)cc1 2324379252 ORRIEEMIBYQCGI-KRWDZBQOSA-N 431.463 5.465 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 2324452399 FUXUMALGTSVLBG-UHFFFAOYSA-N 445.515 6.394 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2F)C3=O)cc1 2324478242 NAMCSDMOSPJLOK-QGZVFWFLSA-N 445.490 5.719 30 10 IKEE CCCCOc1ccc(C=Nn2c(CCC)nnc2SCc2cc(C)ccc2C)cc1 2325555907 RVCDENXYKYKSRF-UHFFFAOYSA-N 436.625 6.201 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccc(C)o2)C3=O)cc1 2325622954 JBCMBAQWURFRTI-MRXNPFEDSA-N 445.515 6.044 30 10 IKEE COc1ccc(CCC(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c(OC)c3)c2)cc1 2325703767 GWCQBIQMMMIVTF-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2)cc1OC(=O)[C@H]1C[C@@H]1c1ccccc1Cl 2325731630 SIERKQKETRZVFT-RTWAWAEBSA-N 432.903 5.954 30 10 IKEE Cc1cc(C(=O)C=Cc2cccc(OC(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)c2)ccc1F 2325742014 DDFXMWCROIEKHQ-UHFFFAOYSA-N 448.450 5.224 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccccc1Cl 2326592176 INVGLYPSLIDRCW-UHFFFAOYSA-N 447.007 6.420 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1cccc(Cl)c1 2327208393 DCDLXSFGFRYQOI-UHFFFAOYSA-N 426.973 5.412 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@H](NC(=O)C=Cc3ccc(C)cc3)C2)c1 2329236357 WUEGUPQFKYAXMT-VWLOTQADSA-N 445.607 5.267 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccccc3Cl)n2N=Cc2ccc(O)cc2)c1 2329551270 AOARWUAWUAUPOA-UHFFFAOYSA-N 434.952 5.787 30 10 IKEE Cc1ccc(C=Nn2c(SCCc3ccccc3)nnc2[C@@H](C)c2ccccc2)cc1 2330110943 ADRXHVCFUACSAD-NRFANRHFSA-N 426.589 5.955 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccc(OC)cc3)c(Cl)c2)cc1 2330747613 QRCIFWCAJVZSTG-UHFFFAOYSA-N 448.946 6.345 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OC(=O)CCCC 2330821874 RSVGNUWXOGWFMN-UHFFFAOYSA-N 447.358 6.722 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3ccc(F)cc3)nnc2[C@H]2CCCO2)c1 2330910503 NMNYQNNXGGGJAH-OAQYLSRUSA-N 440.544 5.232 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)c1ccco1 2330935286 TUYCTDXRKJUMPX-UHFFFAOYSA-N 431.271 6.100 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)ccc1OC(=O)CCc1ccccc1C 2330944155 PVIBLARXAMOJBC-UHFFFAOYSA-N 448.946 6.481 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3ccccc3F)nnc2[C@@H]2CCCO2)cc1 2330959174 RHMRODDWKWQCGA-NRFANRHFSA-N 440.544 5.232 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(C3CCCC3)n2N=Cc2ccc(C)cc2)o1 2331065964 CBVQGIFMIOCFCW-UHFFFAOYSA-N 438.553 5.188 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3F)c([N+](=O)[O-])c2)cc1 2331198716 KNXJAGBHQVCPOG-UHFFFAOYSA-N 449.434 5.177 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3F)c([N+](=O)[O-])c2)c(C)c1 2331224563 KOKMNYYFYSZQHL-UHFFFAOYSA-N 433.435 5.395 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccccc1F 2331411055 IRBMUUALBUZDGF-UHFFFAOYSA-N 437.371 6.196 30 10 IKEE CCSc1nnc(C2CCC2)n1N=Cc1cccc(OC)c1OCc1cccc(C)c1 2331506022 HNDGGCUVZCHUQM-UHFFFAOYSA-N 436.581 5.436 30 10 IKEE CCc1ccc(C=Nn2c(COC)nnc2SCc2ccc(Cl)c(Cl)c2)cc1 2331611959 IJODZLOVGDQKSP-UHFFFAOYSA-N 435.380 5.468 30 10 IKEE COc1cc(C=Nn2c(SCc3ccc(F)cc3)nnc2C(C)C)cc(Cl)c1O 2331674742 HNRBVKJIOUDSAF-UHFFFAOYSA-N 434.924 5.083 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(OC)c(Cl)cc2OC)cc(Cl)c1OC(C)=O 2331690326 IPOHYRGXNNKNMZ-UHFFFAOYSA-N 439.291 5.231 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2Cl)cc1)c1cc(Cl)ccc1Cl 2331859128 PYCLJAOREFZGBG-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)Cc1ccccc1 2331864087 XBLHUWCZHDDJTE-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)ccc1OC(=O)CC(C)(C)C 2331869832 YRHSXWBOYPXQDG-UHFFFAOYSA-N 446.543 6.485 30 10 IKEE Cc1cc(CN(Cc2ccccc2)[C@H](C)c2cccs2)cc(B2OC(C)(C)C(C)(C)O2)c1 2343697456 WCIHOGDLZNTIRJ-OAQYLSRUSA-N 447.453 6.119 30 10 IKEE CC1(C)OB(C=Cc2ccc(NC3CC4(C3)CC(OCc3ccccc3)C4)nc2)OC1(C)C 2365062895 RIANWMRYNUOTCV-UHFFFAOYSA-N 446.400 5.666 30 10 IKEE CC(C)(C)OC(=O)N[C@@]1(C)C[C@H]2CC[C@H]1C[C@H]2Nc1cc(Br)ccc1C#N 2380857572 XAHJMSKONZNARF-FXLQFPEBSA-N 434.378 5.205 30 10 IKEE CSC1=N/C(=N\c2ccc(C)cc2)C2(CCC(C(C)(C)C)CC2)N1c1ccc(O)cc1 20805785 NFFYEENYLFGDQW-VYIQYICTSA-N 435.637 6.945 30 10 IKEE COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2O)cc1OC 21224045 LTMVJUGNGHMDSS-XGCWNURASA-N 442.515 5.389 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NC1CCCC1)[C@@H]2c1cccs1 21722260 DDNHFMGKKCPSLG-HSZRJFAPSA-N 435.593 6.017 30 10 IKEE C#CCOc1c(Cl)cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC 33349368 ZLOQDEMQFPTAIE-LICLKQGHSA-N 434.300 5.255 30 10 IKEE C=CCOc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccc(C)cc2)cc1 39876387 OIAWJZYWFUEQHO-XMMPIXPASA-N 441.458 5.555 30 10 IKEE C=C(C)C(=O)N[C@@H](C)c1nc2ccccc2n1CCCCOc1ccc(C(C)(C)C)cc1 40191225 FTMHUEGWURRCKG-FQEVSTJZSA-N 433.596 5.946 30 10 IKEE C=CCc1ccccc1OCCn1c(CCCCCNC(=O)C(=C)C)nc2ccccc21 40219777 HOTBYTFEJAEOLM-UHFFFAOYSA-N 431.580 5.249 30 10 IKEE Cc1cc(OC(=O)c2ccccc2F)cc2c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O2 41292516 WKIPUUHBKPTALE-UCQKPKSFSA-N 430.475 6.267 30 10 IKEE CCCCSc1ccccc1NC(=O)CSc1n[nH]c(NN=C2CCCCC2)n1 59040356 TULUTHTXNDVMPI-UHFFFAOYSA-N 432.619 5.160 30 10 IKEE CCCCCCCOc1cccc(NC(=S)NC(=O)c2ccccc2OCCCC)c1 100246707 YMHYJHBRVZDTQS-UHFFFAOYSA-N 442.625 6.342 30 10 IKEE C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C\[C@H](C)C(C)(C)O)C[C@@H](O)C[C@@H]1O 101253440 ZGLHBRQAEXKACO-DECCCDGHSA-N 428.657 5.727 30 10 IKEE COc1cccc(/C=C2/Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc3C2=O)c1OC 103018635 TWUOKPVJUXEASD-CIAFOILYSA-N 436.847 5.193 30 10 IKEE C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C/c1ccc(OC(F)F)cc1)C2=O 118919639 UILXPFRZQGQVFT-MRLIAWBASA-N 442.546 6.174 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2cccc(C)c2)c1 169930714 WFVZNCOLDIWROU-AREMUKBSSA-N 449.506 5.940 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1c1ccccc1C 169946154 RWCGCTKFMPWLFP-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@H]2c2ccncc2)c(C)c1 170021484 XLEORSUBXUTJTG-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1cccc2ccccc12)c1ccc(Cl)cc1 170044783 LFTURLDNIOONNH-AUSIDOKSSA-N 447.918 5.251 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)[C@H]2c2ccccc2)cc1C 170053664 NBQQINLVJVQNNI-VWLOTQADSA-N 441.527 5.874 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccccc2F)s1 170070654 AKHSDRNTMOEWCQ-SFHVURJKSA-N 442.899 5.335 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1cccs1)c1ccc2ccccc2c1 170154415 ZZVTXDZFPOQCDE-NRFANRHFSA-N 431.538 5.741 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@H]1c1cccs1 170158461 UYEGRWGIVZWPFZ-QFIPXVFZSA-N 433.529 5.465 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2cccs2)cc1C 170158933 RVYRDJFYAFEGLK-JOCHJYFZSA-N 433.529 5.465 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccs1 170160088 DMNPILUWKQTDTM-HSZRJFAPSA-N 441.508 5.693 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@@H]1c1ccccn1 170171960 BTFMUWKCVNZKGC-HSZRJFAPSA-N 442.515 5.107 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccncc2)cc1 170202333 QLFNGKTUIWLZSJ-XMMPIXPASA-N 442.515 5.270 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(OCC)cc1 170214362 OPCWSIBTLBJYIS-RUZDIDTESA-N 443.543 6.007 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2)cc1 170227186 WXFSBLBIVPOJMI-XMMPIXPASA-N 427.500 5.567 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc(F)cc1)c1cccc(Cl)c1 170238236 FQNPMKBEUIBJMT-HXUWFJFHSA-N 425.818 5.401 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(F)cc2)cc1C 170239949 VNTPCZMDXSYFKE-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1cccc(O)c1)c1cc2cc(Cl)ccc2o1 170259335 GKSKLYRZOOJCKA-JOCHJYFZSA-N 445.858 5.575 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC(C)C)c(C)c3)[C@@H]2c2ccco2)c1 170283093 XDOPBWCWOHBTRR-DEOSSOPVSA-N 445.515 5.714 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@@H]1c1ccco1)c1ccc([N+](=O)[O-])cc1 170287264 LNFGGCTVFRDXDX-JOCHJYFZSA-N 440.411 5.124 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1Cc1ccccn1 170316676 NIRFZZUCZIIJEZ-QFIPXVFZSA-N 440.524 5.383 30 10 IKEE CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(Nc3ccccc3)cc2)[C@H]1c1ccc(O)cc1 170449913 AZNVESQTIJSEOF-QHCPKHFHSA-N 428.488 5.261 30 10 IKEE N#Cc1cc(Br)ccc1Oc1ccc(Br)cc1Br 229181088 CEHHHPBVRLQZLN-UHFFFAOYSA-N 431.909 5.638 30 10 IKEE COc1cc(Br)cc(C=Nc2ccc(-c3nc4ccccc4o3)cc2C)c1O 252594534 BTERVLSHRYNREA-UHFFFAOYSA-N 437.293 6.031 30 10 IKEE Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C=NNc1nc2ccccc2s1 254523265 XINCVFSXNXBXJO-UHFFFAOYSA-N 443.507 6.168 30 10 IKEE C#CCN(C[C@H](NCCC)c1ccc(Br)c(Cl)c1F)C(=O)OC(C)(C)C 407264864 SWWIIMOXPGIKSY-HNNXBMFYSA-N 447.776 5.153 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2c[nH]c3ccccc23)c1 526514112 BWVPHADATCQBFJ-VWLOTQADSA-N 435.483 5.495 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3ccc(Cl)c(Cl)c3)[C@@H]2c2cccs2)c1 526519236 APGIZQPBYJKYLY-IBGZPJMESA-N 427.312 5.984 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2sccc2C)cc1 526603236 BHZGTMGRTPVBKN-JOCHJYFZSA-N 430.529 5.774 30 10 IKEE CC(C)COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 526774294 ZFCSZORCOIXXPU-DEOSSOPVSA-N 445.490 5.643 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1/N=C\c1cc(Cl)c(O)c(OCC)c1 526799596 HJJXNCGEKWAENF-OYKKKHCWSA-N 444.988 5.553 30 10 IKEE Cc1ccc(CSc2nncn2/N=C\c2ccc(OC(C)C)c(Br)c2)cc1 526803849 RKDWFFPWYXWLDP-KSEXSDGBSA-N 445.386 5.311 30 10 IKEE N#Cc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccccc2F)cc1 526823601 YVXCGOTXZMAWPM-QRQIAZFYSA-N 441.535 5.249 30 10 IKEE CCc1nnc(SCc2cccc(C(=O)OC)c2)n1/N=C\c1ccc(Cl)cc1Cl 526825914 GAUJWKLULNANTL-KSEXSDGBSA-N 449.363 5.108 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)NC2CCN(C(=O)N3CCCC[C@@H]3CC)CC2)c1 585955123 PEMPUDQBNDDPLD-QHCPKHFHSA-N 440.632 5.103 30 10 IKEE N#Cc1cccc(CN(c2cccc3ccccc23)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 586233655 WSHWAVVASOSKBD-UHFFFAOYSA-N 443.484 5.015 30 10 IKEE C=CCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(CCCCCC)cc1 586235543 BWHPURMQHYUKAN-UHFFFAOYSA-N 425.516 6.210 30 10 IKEE C[C@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)CN1C(=O)OC(C)(C)C 698831502 ZYLTYLDXHBGYRX-HJPURHCSSA-N 433.524 5.249 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 724030898 FJBWGDJLSMBTKE-KOSHJBKYSA-N 435.609 5.676 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 724031568 YRVSVWFHMNLDGA-GAJHUEQPSA-N 433.524 5.297 30 10 IKEE CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CCCCCC 725239120 WZHRXTKJGVJVTP-MHZLTWQESA-N 440.753 8.903 30 10 IKEE C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C(C)(C)C)cc2)[n+]2cc(O)ccc2C)c1 726573061 YIQXSGHWGBGIQL-UHFFFAOYSA-O 443.592 5.590 30 10 IKEE O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C/c1cc(Cl)cc([N+](=O)[O-])c1O 1084109215 RYFUTQRQGGMDHC-LFYBBSHMSA-N 444.683 5.152 30 10 IKEE CN(Cc1ccccc1)S(=O)(=O)c1ccc(N=Cc2c(Cl)cccc2Cl)cc1 1084395590 KUUVPEPJNGHMHO-UHFFFAOYSA-N 433.360 5.565 30 10 IKEE Cc1cccc(CSc2n[nH]c(NN=Cc3ccc(OCc4ccccc4)cc3)n2)c1 1084523196 YNAFARKDSLUSHM-UHFFFAOYSA-N 429.549 5.430 30 10 IKEE O=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)c1cc(O)nc2c1CCCC2 1611475779 GNIXOYRWTFRQEZ-UHFFFAOYSA-N 436.327 5.208 30 10 IKEE S=C(N/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1)Nc1cccc(Cl)c1 1857810680 BNBOQMVVUSQTIJ-MYYYXRDXSA-N 431.952 5.513 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)c1ccc2nc(CC)[nH]c2c1)[C@@H](C)CC 1860963438 FOYDUVYGLUUDDD-YADARESESA-N 442.648 5.527 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccc(F)cc1 1861376739 PTBSZKVZKWQRAU-XMMPIXPASA-N 442.575 5.129 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)c1cccc(OCC(C)C)c1 1861760700 HGXLEYQPMPKAAF-DEOSSOPVSA-N 430.633 5.583 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc(N(C)C)cc2)cc1 1862395742 XGWPGWYJKTYDLB-DEOSSOPVSA-N 434.580 5.330 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCCc2ccccc2)[C@@H]1c1ccccc1)c1ccc(F)cc1F 1862412541 HLZNBBIFSFXAHZ-XMMPIXPASA-N 447.481 5.566 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)cc1 1862414128 SHODXBJEDYQDII-JEWAVWJGSA-N 441.474 5.130 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(Cl)cc1)c1ccccc1Cl 1862432194 YQVYTZMENKJKIV-IBGZPJMESA-N 428.271 5.365 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 1862433121 VIHAWOHAOIEBKP-XMSQKQJNSA-N 439.939 5.221 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1c(Cl)cccc1Cl 1862451930 QLSGEZWQHJFVHD-GOSISDBHSA-N 438.738 6.025 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(OCC)cc1 1862459486 JLZLSLWSOGHXNM-NRFANRHFSA-N 447.453 5.271 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862478522 JGCCSMZWMWUWNE-RUZDIDTESA-N 441.527 5.481 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(C(=O)O)cc1 1862478744 PPNYLHIEHKFOBC-FYYLOGMGSA-N 449.547 5.630 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cccc(Br)c1 1862496039 AFRFJMNEWHSEEL-MGPUTAFESA-N 442.353 5.443 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862501335 ANHWYCJTGDDUCP-XMMPIXPASA-N 447.481 5.614 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(Cl)c(Cl)c1 1862508314 HFTRUBLUUYSKBL-LJQANCHMSA-N 436.310 5.819 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2CCC(C)C)c1 1862536562 BIJRANMRCLSNME-DEOSSOPVSA-N 435.564 5.662 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccccc2C)cc1OC 1862575649 BMBWYQWSRZMLPL-XMMPIXPASA-N 449.547 5.313 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(O)cc2)cc1 1862613021 DALRGFBMYCGQGJ-QHCPKHFHSA-N 433.548 5.601 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(Cl)cc2)cc1 1862618040 NQTOJSDTWWTDMM-JOCHJYFZSA-N 449.934 6.009 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(O)c(OCC)c1 1862622878 OOBGIVVSKPBNJL-JOCHJYFZSA-N 437.536 5.077 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)cc1 1862627066 JHFODNGQOVYJSN-LZBHBKQYSA-N 447.531 5.135 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc(F)cc2)cc1F 1862638254 XLAFKYLFASJULM-BANJIEJESA-N 441.474 5.130 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2ccccc2)c1 1862660498 MRBFQASQMBEXSE-RUZDIDTESA-N 425.528 5.897 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2ccc(F)cc2)cc1 1862661742 GSEGQPXPWKSFDE-HSZRJFAPSA-N 449.547 5.832 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(F)cc2)=C(O)C(=O)N1Cc1ccccc1Cl 1862674922 XQOYFUSHBVOSJG-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCc2cccs2)cc1 1862677378 ARQWPEYZGFYXGP-HSZRJFAPSA-N 449.547 5.832 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1ccccc1Br)c1ccc2ccccc2c1 1862720021 VRTYPQKTMJNHDL-NRFANRHFSA-N 448.316 5.343 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C(=O)N1C1CCCCCCC1 1862746636 HSVVGRGFAJNYEB-QHCPKHFHSA-N 448.519 5.594 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Nc3ccccc3)cc2)=C(c2cccc3ccccc23)C1=O 1863223361 QBCKULAPISWKJT-UHFFFAOYSA-N 445.522 5.961 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccncc2)=C(c2cc(C)ccc2C)C1=O 1863740314 VUKXQDDTOKBAMU-UHFFFAOYSA-N 447.623 5.709 30 10 IKEE CCCCCCCCCCNC1=C(c2cccs2)C(=O)N(CCCOC(C)C)C1=O 1863801824 NYQDMTQIBBOZMR-UHFFFAOYSA-N 434.646 5.373 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](CCSC)NC(=O)[C@H](c1ccc(Cl)cc1)C1CCCC1 1868872142 LCZFBFBVWBDJQJ-YADHBBJMSA-N 449.060 5.052 30 10 IKEE CCCCCCCCCCn1cc(OCC)c(=O)cc1CNc1ccc(C(C)(C)C)cc1 1870785372 RKBFRGUYLGBFDL-UHFFFAOYSA-N 440.672 7.297 30 10 IKEE CCCCCCCOc1cn(CCCOCC)c(CNc2cccc(N(C)C)c2)cc1=O 1870830686 WKQNYKYZUWTTNL-UHFFFAOYSA-N 443.632 5.302 30 10 IKEE C#CCOc1cn(Cc2ccc(Cl)cc2)c(CNc2ccc(CCCC)cc2)cc1=O 1871010263 GLYBVYQXOAIZHH-UHFFFAOYSA-N 434.967 5.517 30 10 IKEE C=CCn1cc(OCCCCOc2ccccc2C)c(=O)cc1CNc1ccc(C)cc1 1871228175 YQBXNOCGPFFDLA-UHFFFAOYSA-N 432.564 5.501 30 10 IKEE CCN(CC)CCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(C(C)C)cc1)C3=O 1871348955 KYUKEKZSPFFOKG-IWIPYMOSSA-N 434.580 5.228 30 10 IKEE CC[C@@H](C)N1COc2cc(C)c3c(c2C1)O/C(=C\c1ccccc1Br)C3=O 1871351850 DGFQPVBJJFGPNO-SAGYFLTASA-N 428.326 5.324 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OC(=O)CCCOc4ccccc4)c3C)C2=O)cc1 1871371300 PLRGGVQSKQZCMU-ULJHMMPZSA-N 428.484 5.684 30 10 IKEE CC(C)N(Cc1ccccc1)Cc1c(O)ccc2c1O/C(=C\c1ccc3c(c1)OCO3)C2=O 1871393749 HUQHHTXDTFFQCR-MXAYSNPKSA-N 443.499 5.148 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccco1)C2=O 1871401663 JRTSTVQDUHHSNG-RIWZNOJBSA-N 431.488 5.481 30 10 IKEE Cc1cccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)c1 1871456764 VHJIUEWERWLPMH-QFEZKATASA-N 441.527 6.061 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(N(C)C)cc2)[nH]c(N(CC)CCCC)n1 1871694163 FYENCZCEDJRRLC-UHFFFAOYSA-N 441.668 5.502 30 10 IKEE COc1ccccc1-c1csc([C@H](C#N)C(=O)CCCOc2ccc(C(C)(C)C)cc2)n1 1872766889 LJRFOAAIFXMLOZ-OAQYLSRUSA-N 448.588 6.152 30 10 IKEE CC(C)c1ccccc1O[C@@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872774149 ILQULFOBFOEUQZ-QFBILLFUSA-N 448.544 5.348 30 10 IKEE N#C[C@H](C(=O)Cc1ccc(Br)cc1)c1nc(-c2ccc(F)c(F)c2)cs1 1872777674 SNHBHGWGRVTKHX-CQSZACIVSA-N 433.277 5.270 30 10 IKEE COc1cc(-c2csc([C@H](C#N)C(=O)C(Cl)(Cl)Cl)n2)c(OC)cc1Cl 1872783336 WYTJSBVFVVPTKT-MRVPVSSYSA-N 440.135 5.027 30 10 IKEE C=CCOc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2cc(C)c(OC)cc2C)cs1 1872788043 VYLMLCPXXPVOTB-LJQANCHMSA-N 448.544 5.256 30 10 IKEE CCCCCCCCN1C[C@H](C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)CC1=O 1873015591 XUEZIMSQKLTYPY-WOJBJXKFSA-N 441.641 5.211 30 10 IKEE CSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1cn(C)c2ccccc12 1874203471 CYHVDAMWDSFVEN-AUEPDCJTSA-N 446.363 5.260 30 10 IKEE CCOc1ccc(/C=N/n2c(CC34CC5CC(CC(C5)C3)C4)nnc2SC)cc1OC 1874242301 YGAHAPSOMJJEIK-MFKUBSTISA-N 440.613 5.048 30 10 IKEE COc1ccccc1OCc1nnc(SCc2ccccc2)n1/N=C/c1cccc(F)c1 1874288734 OZKUPIAHLANDDG-CVKSISIWSA-N 448.523 5.179 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3C)n2/N=C/c2cccs2)c(C)c1 1874325606 YBHIXCMYOAWWLI-AFUMVMLFSA-N 448.617 6.018 30 10 IKEE Cc1ccccc1CSc1nnc(COCc2ccccc2)n1/N=C/c1ccccc1F 1874352909 HROFWKWSZPEVLL-JFLMPSFJSA-N 446.551 5.617 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874384651 AOKLPGHGKVSJNW-BRJLIKDPSA-N 432.471 5.426 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3ccccc3C)nnc2-c2cccs2)c1 1874421132 WXXAIHVMKRQEML-BUVRLJJBSA-N 434.590 5.888 30 10 IKEE C=CCSc1nnc(CC(C)(C)C)n1/N=C/c1ccc(OCCCC)c(OCC)c1 1874439444 BCFXLBUGBOBWMZ-JJIBRWJFSA-N 430.618 5.605 30 10 IKEE Clc1cccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2[C@H]2CCCO2)c1 1874451125 RXHOZORDLOGQFM-BYWZACNXSA-N 433.364 5.611 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C(F)(F)F)cc1 1874462050 JWTZIAIRJMEDHY-BHGWPJFGSA-N 440.878 5.524 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2-c2ccco2)c(O)c1 1874467888 HJYZXEUFPPILGR-AFUMVMLFSA-N 442.500 5.277 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1cccc2ccccc12 1874479905 XYOVXSPGHSKIDS-WGOQTCKBSA-N 434.996 6.602 30 10 IKEE Cc1ccsc1/C=N/n1c(CC(C)C)nnc1SCc1ccc(Cl)c(Cl)c1 1874492699 ZURABHCAZNLMSD-LSHDLFTRSA-N 439.437 6.328 30 10 IKEE Cc1cccc(CSc2nnc(C(C)C)n2/N=C/c2cccc(Br)c2)c1 1874512361 UFHATNNKLMDIBX-WSDLNYQXSA-N 429.387 5.647 30 10 IKEE CCCOc1ccc(/C=N/n2c(CC)nnc2SCc2ccc(Cl)c(Cl)c2)cc1 1874528083 RVPCOSJYILPFSG-ZMOGYAJESA-N 449.407 6.111 30 10 IKEE Cc1ccccc1COc1ccc(/C=N/n2cnnc2SCc2ccc(F)cc2)cc1 1874536314 XNZFFNUCOFJJJW-MZJWZYIUSA-N 432.524 5.479 30 10 IKEE Sc1nnc(CC2CCCCC2)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1874560770 ONZVXIJGMMZLTN-MFKUBSTISA-N 441.000 5.804 30 10 IKEE CCCOC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(Br)cc1 1874574512 QBRRMGIEJIOLRX-WEVVVXLNSA-N 437.717 5.331 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2c(OCCCO)ccc3ccccc23)cc1 1874584218 COMZLCDAQJIRBJ-ISLYRVAYSA-N 446.587 6.846 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccccc1OCC(=O)Nc1cccc(C)c1 1874585701 AVZFYCMZJMOZJJ-OUKQBFOZSA-N 429.516 5.534 30 10 IKEE Cc1ccc(C)c(COc2ccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)cc2Cl)c1 1874604073 UDLUBZJXVXPFCT-UKTHLTGXSA-N 430.975 7.311 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)cc1 1874608445 OTLDIWXGSBMRHN-IZZDOVSWSA-N 426.871 5.971 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc3ccccc23)cc1)c1cccc(Br)c1 1874609997 VUNLORYKVLCHRM-DTQAZKPQSA-N 443.340 7.077 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccccc1F 1874633075 LAARMZHGXHCIQW-ZRDIBKRKSA-N 438.926 6.970 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)ccc1OCc1ccccc1C 1874633494 FHQAPDMXHXXDHP-PKNBQFBNSA-N 436.935 6.449 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1C 1874636593 IQIZBYPOQAPULW-AWNIVKPZSA-N 433.479 5.365 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)c2ccccc12 1874637960 AXWIEMOSQHTVOM-GHRIWEEISA-N 443.543 5.572 30 10 IKEE O=C(Cc1ccccc1Cl)Oc1cccc(/C=C/C(=O)c2ccc3ccccc3c2)c1 1874692370 CBNKAHVYFNEWOZ-NTCAYCPXSA-N 426.899 6.537 30 10 IKEE COc1cccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c(C)c3)c2)c1 1874695995 CVRYNAQVCUDSKT-JLHYYAGUSA-N 430.500 5.447 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@@H](C)Oc3ccc(Cl)cc3)c2)cc1 1874697644 IQVCOBGEEHPBMB-GFGNLIMNSA-N 436.891 5.618 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1OC(=O)CCc1ccccc1 1874712753 PGPWLLONYVHQNX-GXDHUFHOSA-N 444.527 5.755 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccccc2OC)CSc2nnc(C(C)C)n21 1874859177 OIWQKZOHRUNLPT-IBGZPJMESA-N 430.618 5.472 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(Cl)c1OC(=O)C(F)(F)F 1875094862 MBSIREAXNWLGOZ-RMKNXTFCSA-N 434.797 5.866 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)CC1CCCCC1 1875105634 FFEUUUNOXFWHAU-YRNVUSSQSA-N 447.358 6.774 30 10 IKEE O=C(COCc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1Cl 1875126277 YOOKHYQTFMYALQ-WUXMJOGZSA-N 441.310 6.012 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2Br)c1 1875128301 VLINTGXXGUTZFC-ZRDIBKRKSA-N 437.289 5.573 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3c(F)cccc3Cl)c([N+](=O)[O-])c2)cc1 1875136029 UACMXLXIPAVLFU-YRNVUSSQSA-N 439.826 5.811 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)cc(Cl)c1OC(=O)C1CCCC1 1875145419 LEENALVWMCXRLQ-ZHACJKMWSA-N 442.939 6.047 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(F)c3)cc2)cc1 1875152517 OJPWKRCFYKGFQC-OQLLNIDSSA-N 448.490 5.667 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1 1875161907 NFBZJLWFUDSATQ-XNTDXEJSSA-N 436.454 5.934 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)cc2Cl)cc1 1875169109 JRBPBMHBRGHARG-UKTHLTGXSA-N 446.974 7.251 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2cncc(C)c2)c([N+](=O)[O-])c1 1875170578 FYPPCOVMROZHQH-FNORWQNLSA-N 446.459 5.039 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)c(C)c1 1875182827 WWAGECRRNIJERX-IZZDOVSWSA-N 449.890 6.289 30 10 IKEE COCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1OC 1875184845 UAMVOANZCJHVCT-CSKARUKUSA-N 430.928 5.402 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cc(OC)c(OC(=O)CC(C)C)c(OC)c2)cc1C 1875186918 NMLKYRDOURZJQI-CMDGGOBGSA-N 426.509 5.177 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)ccc1OC(=O)CCOC 1875192536 QHDBWMSRBMBSIF-FMIVXFBMSA-N 434.488 5.085 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N(CC)CC)n2CC(C)C 1875210256 QVKFIJYBJBTKMX-UHFFFAOYSA-N 429.653 6.122 30 10 IKEE C=CCCN(Cc1ccccc1)C(=O)c1cc(Br)sc1Br 1886639191 MISDLEBSKNKUAU-UHFFFAOYSA-N 429.177 5.492 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cc(Cl)c(F)c(Cl)c3)ccc21 1891304106 RAEVELLGKKEWJX-UHFFFAOYSA-N 437.298 5.322 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@H](C#N)[C@H]1CCCN1C(=O)OC(C)(C)C 1991928586 UKLWVRHBZFVEBX-QZTJIDSGSA-N 435.952 5.373 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@](C#N)(N(Cc3cccs3)C(=O)OC(C)(C)C)C[C@H]2C1 1996796000 SZPKBGWWZXOOOL-DTVZVWBHSA-N 447.601 5.024 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@](C#N)(N(C(=O)OC(C)(C)C)C3CCCC3)C[C@]2(C)C1 2005134818 KXKFCCPLJCMMFV-PKKBDPGCSA-N 433.593 5.095 30 10 IKEE C=CCCCC[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NC 2009486463 FRVNCSLHXXNOOV-QHCPKHFHSA-N 429.649 5.270 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C1 2037316559 AOBWJAGTSUQJTM-XMMPIXPASA-N 445.535 5.251 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(N(C)C)cc2)ccc1OCC(=O)Nc1ccccc1 2040455406 XDDFFJMOICQQRS-UHFFFAOYSA-N 444.531 5.065 30 10 IKEE COc1cc(C(=O)C=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)ccc1OCC(=O)O 2040461400 OGMYOIRMTYFXIK-UHFFFAOYSA-N 447.270 5.622 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)C[C@H](C)C2)c1 2041559192 HUHSDDVLVZLCSN-CLOONOSVSA-N 443.588 5.666 30 10 IKEE C=CCN(C[C@H](NCCC)c1ccc(Br)c(Cl)c1)C(=O)OC(C)(C)C 2041576791 ATPKMCXJMCVSJB-KRWDZBQOSA-N 431.802 5.566 30 10 IKEE CC[C@H](c1ccc(C2CC2)cc1)n1nc(C(F)(F)F)c(C#N)c1I 2079079372 RZQNEFPHEQKQIG-CQSZACIVSA-N 445.226 5.255 30 10 IKEE CCCc1ccc([C@@H](n2nc(C(F)F)c(C=NO)c2Br)C2(C)CC2)cc1 2079927823 WWHKVHMOMPEWOE-MRXNPFEDSA-N 426.305 5.733 30 10 IKEE CCc1nn2c(Cl)c(C#N)cnc2c1-c1ccc(C(F)(F)F)c(Br)c1 2081434855 XCAXPJSDXJOXHD-UHFFFAOYSA-N 429.627 5.265 30 10 IKEE CC(C)(C)C[C@@H]1CSC(=NCc2scc(Br)c2Br)N1 2094178297 ZNFVMBPMJVSUHU-MRVPVSSYSA-N 426.243 5.270 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCC[C@@]23C[C@@H](CO2)[C@@H]31 2144304103 YELXVXBRTUWLFQ-XVSRIUFKSA-N 433.346 5.042 30 10 IKEE CCN(c1cc(Br)cc(C#N)c1)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2174815215 QYPMQOZPIPUKKT-JJTKIYQPSA-N 434.378 5.078 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](Cc2cccc(F)c2Br)NCCC)C1 2197748751 MSSQVNADQLJPJA-QGZVFWFLSA-N 441.385 5.112 30 10 IKEE C=CC[C@H](C)[C@@H](NCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2229122601 GTXXBKRJGMDREG-ZYSHUDEJSA-N 425.411 5.075 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)[C@](C)(NC(=O)OC(C)(C)C)C(C)(C)C 2235744989 APVIAWFKIHKQBU-AVRDEDQJSA-N 437.422 5.108 30 10 IKEE N#CCc1ccc(NC(=O)CCCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1 2243914418 BTMRQDCKEQVKJM-UHFFFAOYSA-N 439.515 5.010 30 10 IKEE C#CCN(C(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C 2243925397 VLSDDQOGUOZHKQ-VWLOTQADSA-N 446.591 5.200 30 10 IKEE N[C@@H](C#Cc1cccc(Br)c1)c1cc(Br)c(Br)s1 2264170614 VBMZOBFORKRGSB-NSHDSACASA-N 449.993 5.087 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NC)c1cc(Br)cc(C(C)(C)C)c1 2273001065 MBOQFTUYCKAOJC-ZWKOTPCHSA-N 425.411 5.477 30 10 IKEE O=C(C=CC=Cc1ccccc1)C[C@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 2293202291 PDVGYBUXCSPYFL-HHHXNRCGSA-N 443.930 5.303 30 10 IKEE CCCCCCC[C@@](C)(OCCN)c1cc(Br)c(Br)s1 2293673694 RZKAJCKEAPHEBJ-OAHLLOKOSA-N 427.246 5.824 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)C(C)(C)CCCNC(=O)OC(C)(C)C 2296225004 PZMBDFKZQQBQDK-LJQANCHMSA-N 437.422 5.110 30 10 IKEE CCN[C@@H](C#Cc1cccc(Br)c1)CCCCCN(C)C(=O)OC(C)(C)C 2296273444 PAJPHPYKYYBRGE-HXUWFJFHSA-N 437.422 5.206 30 10 IKEE N#Cc1c(NC(=S)NC(=O)C=Cc2ccc(-c3ccccc3)o2)sc2c1CCCC2 2313735227 KCHUWLYSELXPTJ-UHFFFAOYSA-N 433.558 5.285 30 10 IKEE COc1ccccc1C=CC(=O)c1ccc(OC(=O)N(c2ccccc2)c2ccccc2)cc1 2314429313 DFLYMUURAKRALA-UHFFFAOYSA-N 449.506 6.928 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1ccc(Cl)c(Cl)c1 2314477725 LPGQKEZCSKGHDT-OAQYLSRUSA-N 446.330 5.008 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@H](C#N)[C@]1(C)CCCCN1C(=O)OC(C)(C)C 2318946297 IGPRLFXNMAINKX-CPJSRVTESA-N 449.636 6.018 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2ccc3cc[nH]c3c2)c(C)c1 2321838241 OPGMQXLMWGEPLE-UHFFFAOYSA-N 446.580 5.113 30 10 IKEE Cc1cccc(CN2COc3ccc4c(c3C2)OC(=Cc2ccc(C(C)C)cc2)C4=O)c1 2322216502 ATBJWUBAKGCOKS-UHFFFAOYSA-N 425.528 6.087 30 10 IKEE COc1c(Br)cc(Br)cc1C=CC(=O)c1ccc2ccccc2c1 2322318985 QCCRFYLIROFGPJ-UHFFFAOYSA-N 446.138 6.270 30 10 IKEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1ccc2ccccc2c1)Nc1nccs1 2322327835 HHWOIVIWTULQIQ-UHFFFAOYSA-N 448.931 5.863 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2cc(Br)ccc2OCc2ccccc2)cc1 2322681301 UJPQLYJIFBUIFN-UHFFFAOYSA-N 449.388 7.222 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C(C)C)cc2)c1OCC(=O)Nc1ccc(C)cc1 2322738136 TWQQMKAKZIJHGI-UHFFFAOYSA-N 443.543 6.041 30 10 IKEE CCOc1cc(C=NNc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1Cl 2322952834 JTKUYMHMMAISMJ-UHFFFAOYSA-N 449.765 7.071 30 10 IKEE COc1cc(C=NNc2ccc(Cl)cc2)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 2322953072 UDHDVOVJPBJRDZ-UHFFFAOYSA-N 425.872 5.590 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1OCc1ccc(Cl)cc1 2323177901 HEYNTURKPMRSPC-UHFFFAOYSA-N 436.891 5.595 30 10 IKEE O=C(COc1cccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)c1)Nc1ccccc1 2323247248 CTHYOMGHQIOZRI-UHFFFAOYSA-N 449.506 6.393 30 10 IKEE CCOc1ccc(CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(OC)c2)C3=O)cc1 2323371057 UYGQRYCECZKDFD-UHFFFAOYSA-N 444.483 5.167 30 10 IKEE Cc1c(OC(=O)Cc2ccccc2[N+](=O)[O-])ccc2c1OC(=CC=Cc1ccccc1)C2=O 2323395899 WCXHGDIKVQMBLM-UHFFFAOYSA-N 441.439 5.224 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(OC)c2)cc(OC)c1OCc1ccccc1Cl 2323504107 NECCAMZHWZIOPY-UHFFFAOYSA-N 448.946 6.561 30 10 IKEE Cc1ccccc1COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1Cl 2323514534 FPQLZXUXPHSDBH-UHFFFAOYSA-N 431.746 7.430 30 10 IKEE CC(C)COc1c(Cl)cc(C=Nn2c(S)nnc2Cc2cccs2)cc1Cl 2323556485 MPJZRLQSDZHOME-UHFFFAOYSA-N 441.409 5.443 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)c3ccc(-n4cccc4)cc3)cc(C)c2C1=O 2323676561 KCHRJNPJHYCGHK-UHFFFAOYSA-N 435.479 5.930 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OCc1cccc2ccccc12 2323815964 GMEAVOUHTIKMPD-UHFFFAOYSA-N 434.535 7.052 30 10 IKEE COc1ccc(-c2csc(NN=Cc3cc(Cl)c(OC)c(Cl)c3)n2)c(OC)c1 2323854733 ULRXLMPEFAHDRI-UHFFFAOYSA-N 438.336 5.589 30 10 IKEE Cc1c(OC(=O)c2cccc(OC(=O)C(C)C)c2)ccc2c1OC(=Cc1ccccc1)C2=O 2323907875 KZEGSZWLRIUUIN-UHFFFAOYSA-N 442.467 5.392 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Cl)c1OCc1cccc(F)c1 2323953050 NJGCDSXZIFFXQF-UHFFFAOYSA-N 438.926 6.970 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)c(C)c1C 2324293627 JCHAOIGDYUFTCD-OAQYLSRUSA-N 443.543 5.464 30 10 IKEE Cc1ccsc1C=C1Oc2cc(O[C@@H](C)C(=O)Nc3ccc(F)cc3)cc(C)c2C1=O 2324324740 VXBFFOJBVSHKCK-HNNXBMFYSA-N 437.492 5.526 30 10 IKEE CCc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4cc(C)ccc4C)ccc3C2=O)cc1 2324455656 BNUQIXDWQVPVFG-IBGZPJMESA-N 441.527 5.888 30 10 IKEE Cc1ccsc1C=C1Oc2cc(O[C@H](C)C(=O)Nc3ccc(Cl)cc3)ccc2C1=O 2324610124 RSJQSERLMZGKHN-CQSZACIVSA-N 439.920 5.732 30 10 IKEE CCc1ccc(OCCCOc2ccc3c(c2)OC(=Cc2cccc(OC)c2)C3=O)cc1 2324653981 WZFLWKFQFNELPV-UHFFFAOYSA-N 430.500 5.722 30 10 IKEE CCCCCCCCCOc1cc(C)c2c(c1)OC(=Cc1cn(CC)c3ccccc13)C2=O 2325185305 IMCPWJLNXITDQX-UHFFFAOYSA-N 445.603 7.715 30 10 IKEE COc1cccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C(C)C)cc4)ccc3C2=O)c1 2325318121 KJEOTALQGRNCAI-UHFFFAOYSA-N 443.499 5.452 30 10 IKEE O=C(Cc1ccccc1F)Oc1cccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)c1 2325669225 XNSXKFLDKNRPHA-UHFFFAOYSA-N 436.482 6.537 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2)cc1OC(=O)c1ccc2nc(C)c(C)nc2c1 2325731229 MHHYBIXXQLVJCU-UHFFFAOYSA-N 438.483 5.371 30 10 IKEE COc1cccc(C=C2Oc3cc(OCC(=O)Nc4c(C)cc(C)cc4C)ccc3C2=O)c1 2325736591 VVGLUVDNHJIJFL-UHFFFAOYSA-N 443.499 5.254 30 10 IKEE Cc1cc(C)c(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2F)C3=O)c(C)c1 2325736723 KCCPJPZXFOAMQL-UHFFFAOYSA-N 445.490 5.693 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2OC)cc1OC(=O)c1cccc([N+](=O)[O-])c1 2325742708 HCQFIUITZLGEDP-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccccc3C)c2)c1 2325743892 DGQFTUJZQISDRZ-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1cccn1C 2325904750 SBRAVAJSENOOBI-UHFFFAOYSA-N 437.613 5.352 30 10 IKEE CCCOc1ccc(C=Nn2cnnc2SCc2c(F)cccc2Cl)cc1OC 2326561635 JCCSHKZSQYOLBI-UHFFFAOYSA-N 434.924 5.043 30 10 IKEE CCOc1ccc(C=Nn2c(C)nnc2SCc2cccc3ccccc23)c(OCC)c1 2326635608 GREIRAWCPORHTR-UHFFFAOYSA-N 446.576 5.712 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2ccccc2)n1N=Cc1ccc(O)cc1 2328557217 VQWZBWGDAHEUKZ-UHFFFAOYSA-N 444.560 5.354 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)C[C@@H]2C[C@H]1CC2(F)F 2329113394 PYKFKOGSFWVNHL-LXIYXOSZSA-N 427.289 5.518 30 10 IKEE Fc1cccc(C=Nn2c(CCOc3ccccc3)nnc2SCCc2ccccc2)c1 2329200230 GLSSKWINBAXWLK-UHFFFAOYSA-N 446.551 5.256 30 10 IKEE Cc1ccc(CSc2nnc(COCc3ccccc3)n2N=Cc2sccc2C)cc1 2329302706 RNIGUXULKLTRRF-UHFFFAOYSA-N 448.617 5.848 30 10 IKEE Cc1ccc(CSc2nnc(CC3CCCCC3)n2N=Cc2cc(C)ccc2O)cc1 2330222028 ZSSTWJUGAHQTOH-UHFFFAOYSA-N 434.609 5.898 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)CC 2330589416 MRPQJSJWEIDQIY-GBXCKJPGSA-N 445.604 5.396 30 10 IKEE Cc1cccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc4ccccc4c3)cc2)c1C 2330651697 JPIUJOPZVNZXAT-UHFFFAOYSA-N 436.507 6.337 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)cc1 2330742287 VBLLSWRBUYEEGT-UHFFFAOYSA-N 435.863 5.926 30 10 IKEE CC(C)(C)CC(=O)Oc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1Cl 2330888701 LPPVAPOZCQYKQY-UHFFFAOYSA-N 435.745 6.340 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2C2CCCC2)cc1 2331018318 KXPFHKDZFGWQIA-UHFFFAOYSA-N 448.636 6.598 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)Cc2ccc(Cl)c(Cl)c2)cc1 2331051316 XIOFVWRWYCIIFO-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(C2CCCC2)n1N=Cc1cccs1 2331081413 ADFDHTBRGGTQKG-UHFFFAOYSA-N 437.421 6.479 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc([N+](=O)[O-])c1OC(=O)Cc1ccccc1 2331174281 GUVKVUBOTHGSMN-UHFFFAOYSA-N 431.444 5.038 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc(F)c2)c(Cl)c1)c1ccc(Cl)c(Cl)c1 2331242411 YWWTYJJWOBRFTG-UHFFFAOYSA-N 449.692 6.901 30 10 IKEE CC(C)Cc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(Cl)c(Cl)c1 2331443846 DWDBTUHRBKUICK-UHFFFAOYSA-N 437.371 6.097 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCO4)cc2OC)cc1 2331450568 ZCNKJLOSQPLACL-UHFFFAOYSA-N 430.456 5.102 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2cc(OC)c(Cl)cc2OC)cc1OCC 2331692676 BAJMWDNCGKAIRK-UHFFFAOYSA-N 446.927 5.748 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)[C@@H](C)c1ccccc1 2331704458 QDVOOAJQQKEUQY-IBGZPJMESA-N 448.946 6.571 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2Cl)cc1C 2331705721 CUOXQNPYMJUEBO-UHFFFAOYSA-N 448.946 6.454 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2ccc(OC(=O)C3CCC3)c(Cl)c2)cc1Cl 2331812451 ZWSYYVOYKPAZSS-UHFFFAOYSA-N 439.722 6.257 30 10 IKEE CC(C)=C(CN1CCC[C@@]2(CCCN(Cc3ccccc3)C2)C1)B1OC(C)(C)C(C)(C)O1 2340328399 LSQUAVMQAHGAAN-HHHXNRCGSA-N 438.465 5.332 30 10 IKEE N#C[C@H](Nc1ccc(Br)cc1)c1ccc(Cl)cc1I 2346190364 GHFIOYYYXQSGQQ-AWEZNQCLSA-N 447.501 5.384 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H](Nc2c(Br)cccc2C#N)[C@H]1C(F)(F)F 2370175722 SLFNJSQPVUIESV-ZFWWWQNUSA-N 448.283 5.063 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)S/C1=N\c1ccc(O)cc1C(=O)O 16927804 BSONVBUOFDHRET-HOLMJYLXSA-N 437.304 5.021 30 10 IKEE CCc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cc(Br)ccc2F)cc1 21250123 SXCFDFJUPBIIJR-MAUKXSAKSA-N 442.328 5.155 30 10 IKEE CCn1nc(C)c(CN/C(=N/C(=O)c2ccc(C)c(C)c2)Nc2ccc(C)cc2C)c1C 32971758 SBMXOZOQTRGILT-UHFFFAOYSA-N 431.584 5.152 30 10 IKEE O=C(/C=C/c1ccccc1Cl)c1ccc(OC(=O)c2ccccc2Br)cc1 34955093 MMTHWRKZKKLYPR-SDNWHVSQSA-N 441.708 6.218 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(Cl)cc1 40079375 RSZVTXHBEXFICW-OAQYLSRUSA-N 427.928 5.506 30 10 IKEE COc1ccc(CCN2COc3ccc4c(c3C2)O/C(=C\c2ccccc2C)C4=O)cc1 41658536 OWFIUKOMBFLQHX-MYYYXRDXSA-N 427.500 5.014 30 10 IKEE CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccccc2I)c1C 59104506 GOPNIGAYMVYEBI-ZVHZXABRSA-N 442.344 6.320 30 10 IKEE Cc1ccc([C@@H]2C3=C(CCCC3=O)Nc3c(C(=O)Nc4ccc(Cl)cc4)cnn32)cc1 64874081 XQSGFJVHESHMTG-JOCHJYFZSA-N 432.911 5.119 30 10 IKEE C=C(C)COc1ccccc1NC(=O)CNc1ccc(OCCCc2ccccc2)cc1 66063493 YOLPHGQDRDTULZ-UHFFFAOYSA-N 430.548 5.704 30 10 IKEE CSc1nc(Nc2ccc(Cc3ccncc3)cc2)c(C#N)c(-c2ccc(Cl)cc2)n1 96454609 IVTXIGGEFWNYEZ-UHFFFAOYSA-N 443.963 6.120 30 10 IKEE C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)c1ccc(F)cc1F 96990008 SDKZNFFUZNJDRD-CYBMUJFWSA-N 449.910 5.338 30 10 IKEE C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@@H](C)/C=C/[C@@H](C)C(C)(C)O)C[C@@H](O)C[C@@H]1O 97974478 ZGLHBRQAEXKACO-VXLREPAMSA-N 428.657 5.727 30 10 IKEE COC(=O)c1ccc(/C=C\c2cc(-c3ccccc3)c(C#N)c3nc4ccccc4n23)cc1 97995156 NTYBSZYEHYCYGQ-SSZFMOIBSA-N 429.479 5.983 30 10 IKEE CCCCCCCSc1nnc2c(n1)O[C@H](c1ccccc1OC)Nc1ccccc1-2 101007382 HAUGGIOPWFPKPH-JOCHJYFZSA-N 436.581 6.113 30 10 IKEE CCCCCCCCCN1C(=O)[C@H](C)Oc2ccc(-c3csc(-c4ccccn4)n3)cc21 103753730 GZEBIOKCPVJOTK-IBGZPJMESA-N 449.620 6.737 30 10 IKEE CC1(C)CC(=O)C([C@@H](C2=C(O)CC(C)(C)CC2=O)c2c(O)ccc3ccccc23)C(=O)C1 105561610 CHLSQRIOSNUIFC-VWLOTQADSA-N 434.532 5.405 30 10 IKEE N#C[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccc(F)cc1F 111219370 LQFCIXNIXPZPIL-QGZVFWFLSA-N 436.245 5.240 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1cccs1 169985614 YAEMIGDSURJLNH-LJQANCHMSA-N 425.893 5.193 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2c2ccccc2)c1 170036188 QBAPINNJPXMYCJ-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(F)ccc3OC)[C@@H]2c2ccccc2)c1 170047720 FWVDJAPNEJZISX-QHCPKHFHSA-N 447.462 5.016 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccc(F)cc2)c1 170061251 UWMDDDAPICMWAR-DEOSSOPVSA-N 445.490 5.624 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccccc2F)c1 170072393 AZRIQTMKAXXMHV-HSZRJFAPSA-N 433.454 5.360 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cn(C)c3ccccc23)cc1C 170085889 WNESUPMQQQPZOQ-DEOSSOPVSA-N 444.531 5.016 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(O)cc2)c1 170131200 IPJTWJACLLJSAS-HSZRJFAPSA-N 447.462 5.103 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@H]1c1ccc(OC(C)C)cc1 170152224 WFZWHUDGSQWKFY-OAQYLSRUSA-N 443.927 5.124 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@H]2c2cccs2)cc1 170156990 BLLIEZPUKAIERK-QFIPXVFZSA-N 433.529 5.492 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1ccccn1)c1ccc2c(c1)CCCC2 170176557 XFNDQECGRGJWOC-QHCPKHFHSA-N 446.453 5.022 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccn2)cc1C(C)C 170179279 JFWZUXWQRGORPS-QHCPKHFHSA-N 434.536 5.125 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@@H]1c1ccncc1 170205443 IONLOPBROJLKTO-HSZRJFAPSA-N 442.515 5.107 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccccc2)cc1 170225221 QRXHKTQXBONORK-VWLOTQADSA-N 441.527 5.875 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccccc2)cc1 170229559 SLXCSUAMTPGIEK-QHCPKHFHSA-N 449.453 5.537 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@@H]1c1ccc(F)cc1 170243790 ZFMSJQAXVYHOKU-FQEVSTJZSA-N 431.891 5.256 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@@H]1c1ccc(CC)cc1 170267607 DDBRKSQMCHNYBX-DEOSSOPVSA-N 435.564 5.662 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccc(CC)cc1 170268400 CXULVYJDOCIMOZ-BXKMTCNYSA-N 433.548 5.341 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1Cc1cccs1 170269974 SGUSUOZRWLJHLU-XMMPIXPASA-N 439.536 5.988 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccco1 170284268 FHNOJHPAXNWLQY-HSZRJFAPSA-N 447.918 5.903 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)(C)C)c2)[C@H]1c1ccc(C)o1 170309452 TWWVQVNUGPSXLF-OAQYLSRUSA-N 425.525 5.273 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Br)cc3)[C@H]2c2ccccc2)cc1 170374291 XKNNJGXGUOVNTE-NRFANRHFSA-N 448.316 5.540 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2c(C)[nH]c3ccccc23)c1 170403334 MMDYIYWYVLGZAW-DEOSSOPVSA-N 437.499 5.271 30 10 IKEE Cn1cc(CCN2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccs2)c2ccccc21 170415434 IGTAQLOHASAOTQ-QHCPKHFHSA-N 442.540 5.061 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2cc(Cl)ccc2O)[C@@H]1c1ccc(C(C)(C)C)cc1 170470346 XBGVCFAARDBXQW-HXUWFJFHSA-N 441.955 5.858 30 10 IKEE C=CCCCCC[C@@H](NCC)c1cc(Br)ccc1I 233606992 KIWAXACJMXHJDW-MRXNPFEDSA-N 436.175 5.841 30 10 IKEE COc1ccc(OC)c(/C=C2/SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)c1 252607004 GXMBUPUSJQJUTO-MPVWDOOLSA-N 430.529 5.508 30 10 IKEE CCCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)SC1=Nc1ccc(OCC)cc1 252615176 JQFLEOSSGQGCKX-QQAFOXPBSA-N 426.538 5.117 30 10 IKEE Cc1ccc(N=C2S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2ccccc2)cc1 254491490 UEJXYZVJWOOHTC-SEYIQKDNSA-N 429.570 6.174 30 10 IKEE Cc1cccc2c1N(C)C(=O)/C2=C1/SC(=Nc2ccccc2)N(c2ccccc2)C1=O 254567919 VPOZDOUCRJMOSM-ZOXZCZEASA-N 425.513 5.150 30 10 IKEE COc1ccc(-n2c(=S)ssc2=NC(=Nc2ccc(C)cc2)c2ccccc2)cc1 254625445 VZICHORWUKWPDI-UHFFFAOYSA-N 449.626 6.326 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)c(Cl)c1F 407262093 RULVRPRSPBESJY-RHSMWYFYSA-N 449.792 5.752 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(F)c1Br)NCCC 407894152 SVQABQYNVSJTOZ-ZWKOTPCHSA-N 443.401 5.358 30 10 IKEE CCCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccccc2F)cc1OCC 526802378 FLVSZUICAHJMJJ-MYYYXRDXSA-N 442.560 5.342 30 10 IKEE COc1cc(C)c(C)cc1S(=O)(=O)N(CCC1=CCCCC1)Cc1ccc(C#N)cc1 586160931 GIPPEJBTQHIALL-UHFFFAOYSA-N 438.593 5.265 30 10 IKEE C=C(C)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(CCCCCC)cc1 586233059 IMLCKDJGPHWCES-UHFFFAOYSA-N 431.598 5.598 30 10 IKEE C[C@H]1CCc2c(sc(NC(=O)COc3ccc4nc(-c5ccccc5)oc4c3)c2C#N)C1 586476967 RQXYMILFTUPJMW-HNNXBMFYSA-N 443.528 5.570 30 10 IKEE CCCCCCCCC[C@@H](N)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 693709568 VEBUAZSKQQPHTC-BVAGGSTKSA-N 431.665 5.624 30 10 IKEE CCCCCCCCC[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 698459363 WPDPLRAUOHEPRM-GOSISDBHSA-N 437.422 7.223 30 10 IKEE CCCCCCC[C@@H](C(N)=O)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 698488113 JICVQPJOKSXINO-KRWDZBQOSA-N 427.383 5.405 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@H](C#N)c1cc(F)ccc1Br 698867066 OUXAWRIMVGYUFS-MRXNPFEDSA-N 425.323 5.652 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)CC1(C)C 698886167 SCVUFAVOZVHXOZ-XMMPIXPASA-N 447.551 5.639 30 10 IKEE CC(C)(C)OC(=O)N1CCC(C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)CC1 698954739 BBFVCGOPOWQYPI-UHFFFAOYSA-N 435.952 5.375 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Cl)c1Br)NCCC 719443939 PFJFBIOBBZZPMP-IAGOWNOFSA-N 445.829 5.483 30 10 IKEE C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc([N+](=O)[O-])cc2)[n+]2ccc(CCC)cc2)c1 726573802 QPXRIGUCWJADJS-UHFFFAOYSA-O 444.536 5.139 30 10 IKEE Cc1cc(C)n(C(=O)SCc2nc(-c3cccs3)cc(-c3ccc(F)cc3)c2C#N)n1 1084271578 YBFJNZHUASIPOQ-UHFFFAOYSA-N 448.548 6.203 30 10 IKEE C/C(=C1\SC(=Nc2nccs2)N(C2CCCCC2)C1=O)c1ccc([N+](=O)[O-])cc1 1772732446 AUUOKNJOVCSQKY-GGYXWTDNSA-N 428.539 5.378 30 10 IKEE Cc1ccc(/C=C2/SC(=Nc3nc(-c4ccccc4)cs3)N(c3ccccc3)C2=O)o1 1772733900 CJTLTYUYQXRKSI-MALGGUPZSA-N 443.553 6.520 30 10 IKEE CCn1c2ccccc2c2nnc(NN=Cc3ccccc3OCc3ccc(C)cc3)nc21 1772764635 BDCIDQIPNHGBGP-UHFFFAOYSA-N 436.519 5.333 30 10 IKEE Cc1ccc(-c2nn(-c3ccc(Oc4ccccc4)cc3)cc2/C=N\NC(N)=S)cc1C 1857807246 XSFMAOHXCFICMZ-DICXZTSXSA-N 441.560 5.116 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc3c(OC(=O)c4ccc([N+](=O)[O-])cc4)cccc23)c1 1858929992 MLJQTEAJKPJNEF-UHFFFAOYSA-N 437.411 5.091 30 10 IKEE CCOC(=O)c1sc(NC(=O)c2ccc3nc(-c4ccc(F)cc4)oc3c2)c(C#N)c1C 1859736340 YAPLUUQIWISLQT-UHFFFAOYSA-N 449.463 5.305 30 10 IKEE CCCCCCCCCCNc1cc(N2CCC(C)CC2)nc(-c2ccc(OC)cc2)n1 1859792965 UHOQNHSPHJDRCH-UHFFFAOYSA-N 438.660 6.941 30 10 IKEE CCCCCCOc1ccc(NC(=O)C2CCN(C(=O)c3cccc(C#N)c3)CC2)cc1 1860603777 NLUABPNVIKOSJK-UHFFFAOYSA-N 433.552 5.008 30 10 IKEE N#Cc1cccc(C(=O)N2CC=C(c3ccc(OC(=O)CCC4CCCCC4)cc3)CC2)c1 1860684759 LFJJVTKZPKBILT-UHFFFAOYSA-N 442.559 5.754 30 10 IKEE CCCCCCCCNC(=O)[C@H](NC(=O)c1c(Cl)ccc(Cl)c1OC)[C@H](C)CC 1861146015 AMFLQERXTIRLKM-DNVCBOLYSA-N 445.431 5.623 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(OC)c2)cc1 1862390938 OXHPAFSZRUBBMN-DEOSSOPVSA-N 433.548 5.559 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 1862393609 ZDUFRXZWRQANRC-KSFYIVLOSA-N 436.508 5.314 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862406325 MPCTZDFNQDTZEZ-XOBRGWDASA-N 447.453 5.399 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862451351 CRDPJFHLHDYUCY-KSFYIVLOSA-N 441.955 5.896 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccccc2F)c1 1862489395 VRQXUMHFOKDMLV-XMMPIXPASA-N 445.490 5.230 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCCc2ccccc2)c1 1862490615 ZRLAXOIASBMKNJ-SANMLTNESA-N 439.555 5.823 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2c(F)cccc2Cl)c1 1862495352 XAUXCDILAUJPGR-NRFANRHFSA-N 427.903 5.617 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccc(F)cc2)ccc1F 1862501976 OQUDEVAZFIWCAJ-JOCHJYFZSA-N 437.417 5.191 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccc(Cl)cc2)ccc1F 1862503313 VHJZTQCSUFXCPW-OAQYLSRUSA-N 445.918 5.181 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccccc2C)ccc1F 1862506940 CGEQKYMOCWXGRG-DEOSSOPVSA-N 429.491 5.264 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(OC)cc2)cc1 1862535633 HZMBNBGZNWANKE-XMMPIXPASA-N 433.548 5.559 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2ccccc2Cl)c1 1862561483 UNOQCEDEZVFAGT-QHCPKHFHSA-N 446.934 5.133 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(C)c1 1862580422 JMDDOLPXTGPQHP-NRFANRHFSA-N 446.374 6.460 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1cccc2ccccc12 1862620151 LXJROUYBCZDTJL-XMMPIXPASA-N 427.544 6.124 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2C2CCCCC2)cc1 1862638273 XNVPGBMPJBGSCL-QHCPKHFHSA-N 437.511 5.308 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862667658 HPFDUGVDKNBSFI-NRFANRHFSA-N 446.374 6.351 30 10 IKEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1c(Cl)cccc1Cl 1862667977 NSHOMGPTRASVOD-HXUWFJFHSA-N 448.346 5.342 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCC)cc1 1862671255 NLEAOLJOAQSVCE-VWLOTQADSA-N 449.591 6.367 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(F)c2)cc1 1862672888 HOZCPOKPCDNBDL-HSZRJFAPSA-N 433.454 5.094 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@@H]1c1ccc2cc[nH]c2c1)c1ccc(F)cc1 1862677763 FTIWKZNFKPUGTI-XMMPIXPASA-N 444.506 5.776 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 1862741136 LRFNXVWEBVZQQG-FQEVSTJZSA-N 440.883 5.159 30 10 IKEE C=CCNC1=C(c2cccc3ccccc23)C(=O)N(C(c2ccccc2)c2ccccc2)C1=O 1863585047 PPQIJMLIZHDPGB-UHFFFAOYSA-N 444.534 5.485 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)CCc2ccc(Br)cc2)c1 1866089724 AFGIIJHUTAWFMM-UHFFFAOYSA-N 447.332 5.432 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N1[C@H](C(=O)OC)C[C@@H]2CCC[C@H]21 1866342542 OSAWQOKRPHZYTO-GVAUOCQISA-N 435.693 7.191 30 10 IKEE CC[C@](C)(NC(=O)C[C@@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccccc1C#N 1866746998 SBTWKYQDKDHZFH-KCWPFWIISA-N 433.596 5.735 30 10 IKEE CC(C)(C)c1nc(Nc2ccc(C#N)cc2)cc(N2CCC[C@@H]2Cc2ccc(Cl)cc2)n1 1868355371 HCWDKXBZDSEOTP-JOCHJYFZSA-N 445.998 6.254 30 10 IKEE C=CCN(CC=C)c1cc(N2CC[C@H](c3ccco3)C2)nc(-c2ccc(OCC)cc2)n1 1869339095 LSCHXXQYJXLTDM-NRFANRHFSA-N 430.552 5.308 30 10 IKEE CCCCCCCCC(=O)N1CC(Oc2ccc3oc(C)c(C(=O)OCC(C)C)c3c2)C1 1869879687 RXRKIOYFJDLDLO-UHFFFAOYSA-N 443.584 5.894 30 10 IKEE CC(C)SCc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCc1ccc(F)cc1 1870233376 MLCZADIULANNAJ-UHFFFAOYSA-N 436.552 5.322 30 10 IKEE CCCCn1cc(OCCC(C)C)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870234009 RPFLHKDBUDQOBQ-UHFFFAOYSA-N 427.614 5.558 30 10 IKEE C=CCn1cc(OCC(=O)Nc2c(C)cccc2C(C)C)c(=O)cc1CSC(C)(C)C 1870249331 NHQQSVCOHMOPDR-UHFFFAOYSA-N 442.625 5.515 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCCCC)c(=O)cc1CN1CCCCCC1 1870764276 BQTQMBCNKFILSY-UHFFFAOYSA-N 448.648 5.307 30 10 IKEE CCCCCCCOc1cn(CCCOCC)c(CNc2ccc(Cl)cc2C)cc1=O 1870830371 KZUNTHLANXKKGU-UHFFFAOYSA-N 449.035 6.198 30 10 IKEE CCCCCCCCn1cc(OC)c(=O)cc1CNc1ccc(Cl)c(C(F)(F)F)c1 1870997591 VCCQYKGJBUODDQ-UHFFFAOYSA-N 444.925 6.502 30 10 IKEE Cc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2Cc2ccco2)cc1C 1871253756 HFRNRUIJSCYMKM-UHFFFAOYSA-N 439.515 5.169 30 10 IKEE CCCCCCCCNC(=O)c1sc(-c2ccc(Oc3ccc(C)cc3)cc2)nc1C 1871276694 LINYQNBXRPPTJU-UHFFFAOYSA-N 436.621 7.310 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1cccc(Cl)c1)O3)CN(CCc1ccccc1)CO2 1871344257 AGQKEIBIDFWJQX-UCQKPKSFSA-N 431.919 5.659 30 10 IKEE Cc1ccsc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(Cc1cccc(Cl)c1)C3 1871347956 HEBMUWDRRBNEMV-JMIUGGIZSA-N 437.948 5.987 30 10 IKEE CC(C)=CC(=O)Oc1ccc2c(c1C)O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O 1871385117 WCBKMODIZMMKJR-OCKHKDLRSA-N 426.852 5.003 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)c(OCC)c1 1871386762 LTZMYMILOIGGJD-CFRMEGHHSA-N 448.446 5.459 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(Cl)cc2F)cc2c1C(=O)/C(=C/c1ccco1)O2 1871440275 HCYJPGTWHYOVCK-OCKHKDLRSA-N 427.815 5.014 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccccc3Cl)ccc2C1=O 1871455283 JXGPVSZXDSIPHS-QRVIBDJDSA-N 449.890 5.372 30 10 IKEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1ccc(C)cc1 1872297634 JDBITDMZIODGJU-JOCHJYFZSA-N 449.016 5.187 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(C)cc1 1872412850 WCQRPYGBAHYKCL-HSZRJFAPSA-N 428.598 5.068 30 10 IKEE C=CCN([C@H](C(=O)Nc1cccc(C)c1C)[C@@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872521669 MQYDCBOQTYOZEE-UUOWRZLLSA-N 442.625 5.150 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)c1ccccc1 1872612953 JJRYAEBXGRCRPT-QHCPKHFHSA-N 448.604 5.102 30 10 IKEE CC(C)(C)N1C[C@@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)CC1=O 1872759028 BHAQIJZBRHEXAS-LEWJYISDSA-N 443.572 5.300 30 10 IKEE N#C[C@@H](C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872760426 OBFATWKPCIFQSY-SQEWALACSA-N 429.501 5.487 30 10 IKEE CCOc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2ccc3ccccc3c2)cs1 1872760664 UURZWUAMMKBGNH-HXUWFJFHSA-N 428.513 5.617 30 10 IKEE N#C[C@@H](C(=O)Cc1cccc2ccccc12)c1nc(-c2ccc(Br)cc2)cs1 1872764993 DJILRBTXKXVBKK-FQEVSTJZSA-N 447.357 6.145 30 10 IKEE N#C[C@@H](C(=O)CCCOc1ccc(Cl)cc1)c1nc(-c2cccc3ccccc23)cs1 1872775440 QMHDABLPQOWVKV-QFIPXVFZSA-N 446.959 6.652 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)c(Cl)c3)n2)c1C 1872778255 HGIGOYPFKKQXBZ-INIZCTEOSA-N 429.372 6.841 30 10 IKEE COc1c(Cl)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)c2ccccc2Cl)n1 1872778878 WPWMNQCMOAELJQ-ZDUSSCGKSA-N 437.735 6.269 30 10 IKEE Cc1nc(SCc2cccc(C(=O)NC34CC5CC(CC(C5)C3)C4)c2)c(C#N)c(C)c1C 1872893098 HAUMTQDPDBABFS-UHFFFAOYSA-N 445.632 5.869 30 10 IKEE CCc1ccc([C@@H](C)NC(=O)c2cccc(CSc3nc(C)c(C)c(C)c3C#N)c2)cc1 1872893161 KCTMTBXCIGGUBP-HXUWFJFHSA-N 443.616 6.224 30 10 IKEE N#Cc1cccc(NC2=C(c3c(Cl)cccc3Cl)C(=O)N(Cc3ccccc3)C2=O)c1 1873284137 DDZHEFPMVVPVDB-UHFFFAOYSA-N 448.309 5.257 30 10 IKEE Cc1c(CCC(=O)Nc2ccccc2C#N)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 1873868514 HENGWFWHFSOQCF-UHFFFAOYSA-N 428.488 5.588 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1cccc(F)c1 1874205007 FEYQYIAKUUHRDJ-FOKLQQMPSA-N 437.327 5.463 30 10 IKEE Cc1ccc(C)c(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccc[nH]2)c1C 1874255133 LTIUNDXGSCXQPR-VULFUBBASA-N 431.565 5.285 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccc(C(C)C)cc1 1874266587 DKSJCPXTNXGLKQ-DHRITJCHSA-N 441.000 6.184 30 10 IKEE COc1ccccc1OCc1nnc(SCc2ccccc2)n1/N=C/c1ccccc1 1874289108 ZBSKXNABLKZPKF-PCLIKHOPSA-N 430.533 5.040 30 10 IKEE COc1ccccc1OCc1nnc(SCc2cccc(C)c2)n1/N=C/c1ccccc1 1874289623 NLKGYTOWMFZDCE-WGOQTCKBSA-N 444.560 5.349 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3C)n2/N=C/c2ccco2)cc1C 1874328793 GNCQXMRWYNEINC-WGOQTCKBSA-N 430.577 5.756 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(CCc3cccs3)n2/N=C/c2ccccc2)cc1 1874370122 JMJHCLBWGHUCMG-HZHRSRAPSA-N 449.561 5.208 30 10 IKEE Fc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2/N=C/c2ccccn2)cc1 1874381779 IHUZTJRSEYNZAF-VULFUBBASA-N 437.931 5.231 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccccc3)n2/N=C/c2cccc(Cl)c2)c1 1874383310 JXSYMGQOKLVFJA-CVKSISIWSA-N 448.979 5.993 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2)n1/N=C/c1c(Cl)cccc1Cl 1874384624 ZPZRWYOEEQUUEL-FOKLQQMPSA-N 433.364 5.714 30 10 IKEE CCCCOc1ccc(/C=N/n2c(Cc3ccc(C)cc3)nnc2SCC)cc1OC 1874389146 PKTVZTYOKWDPDM-KOEQRZSOSA-N 438.597 5.359 30 10 IKEE COc1ccc(/C=N/n2c(Cc3ccc(C)cc3)nnc2SCc2ccccc2F)cc1 1874389450 PMAQUNFGGFHQJR-JVWAILMASA-N 446.551 5.500 30 10 IKEE Cc1ccccc1CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1cccc(Cl)c1 1874392544 OYTOQEJBADPTMV-BWJYWGHISA-N 447.007 6.566 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2ccc(F)cc2F)cc1 1874415202 DUOWQQWOXYHFGA-JFLMPSFJSA-N 434.515 5.630 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCc3cccc4ccccc34)nnc2[C@H]2CCCO2)c1 1874449839 MUNRRGOMJBSZMK-OJLHXUGZSA-N 444.560 5.471 30 10 IKEE Cc1ccccc1CSc1nnc(C2CCCC2)n1/N=C/c1ccc2c(c1)OCCO2 1874452120 FHSWOYMQEKFKSK-MFKUBSTISA-N 434.565 5.190 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874510615 RFRBIPFWJHWHRF-MFKUBSTISA-N 427.017 6.356 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C(C)C)cc1 1874515874 ULILNZFJJALMTN-ZVHZXABRSA-N 428.989 6.018 30 10 IKEE FC(F)(F)c1ccc(/C=N/n2cnnc2SCc2ccc(Cl)c(Cl)c2)cc1 1874540754 YSOWZJYYQPORNQ-KTZMUZOWSA-N 431.270 5.778 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(Cl)cc2)c1OCc1nc(O)c2ccccc2n1 1874578644 ZCBHLEMUKIQIKB-SDNWHVSQSA-N 446.890 5.473 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2c(OCc3cccc(F)c3)ccc3ccccc23)c1 1874581051 UDYPMTBBHVTGEC-OUKQBFOZSA-N 442.486 6.471 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccccc2OCC(=O)N[C@H](C)c2ccccc2)cc1 1874583203 BRZMICKYMLPWBA-RURFIKTLSA-N 427.544 5.962 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC)c1OCCc1ccccc1 1874584697 BBHAKOGENUWVRS-JQIJEIRASA-N 444.571 6.519 30 10 IKEE C=CCOc1c(/C=C/C(=O)c2cc(Cl)ccc2OC)cc(Br)cc1OC 1874592513 NJSBZONIAWBODF-FNORWQNLSA-N 437.717 5.581 30 10 IKEE Cc1cccc(NC(=O)COc2cccc(/C=C/C(=O)c3ccc(Cl)c(Cl)c3)c2)c1 1874595935 BRSPVJIDDGODED-DHZHZOJOSA-N 440.326 6.215 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)c(Br)c1OC 1874600807 DYWJYFJNBLEQEF-DHZHZOJOSA-N 427.294 5.524 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(F)c(C)c3)cc2[N+](=O)[O-])c1 1874618583 IWJRVPXSDGPZTF-UXBLZVDNSA-N 448.450 5.264 30 10 IKEE COC(=O)COc1c(Cl)cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC 1874627678 QMIJPXZLCHIJPD-BQYQJAHWSA-N 446.927 5.237 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OCC(=O)Nc1cc(C)ccc1C 1874633277 UWAALZWWRJOOOS-FMIVXFBMSA-N 443.543 5.842 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1 1874633649 OBHQQLVNBZYRAO-SOFGYWHQSA-N 445.317 6.925 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)c1ccccc1 1874659698 FCYSXODNBINVOZ-RLWLMLJZSA-N 447.623 5.476 30 10 IKEE CCCC(=O)Oc1cc(/C=C/C(=O)c2ccc(OCC)cc2)c(Br)cc1OC 1874701216 HGTOOGSPHFSQFD-FMIVXFBMSA-N 447.325 5.458 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OC(=O)c1ccc([N+](=O)[O-])cc1 1874703609 XUIOFVBLTXRTNE-WUXMJOGZSA-N 431.444 5.336 30 10 IKEE C=CCN(CC=C)CCC(=O)c1cccc(OC(=O)[C@H](C)Oc2ccc(C(C)C)cc2)c1 1874733822 MJAKXKAGDYPFRJ-NRFANRHFSA-N 435.564 5.430 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccncc3)c(OCC)c2)cc1 1875107760 HPDSDKXFYVDTOC-UKTHLTGXSA-N 429.516 5.938 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)Cc2cc(Cl)ccc2Cl)cc1 1875117970 LFCZXLFMJIIKGC-MDWZMJQESA-N 441.310 6.046 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)CC(C)(C)C 1875122400 ZKHFJCUFHQNBKQ-VAWYXSNFSA-N 426.940 6.315 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2OC)cc1 1875128923 BJZHPKBNFCENJO-FOWTUZBSSA-N 430.500 5.528 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1OC 1875167390 CDQQFNSUDGHSRO-PKNBQFBNSA-N 430.928 5.966 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)c3ccccc3)c([N+](=O)[O-])c2)cc1C 1875174780 IFUSZAAVBHDVIB-QHSLDKKCSA-N 429.472 5.817 30 10 IKEE N#CC1(c2ccccc2)CCN(C(=O)c2cc(C(F)(F)F)ccc2Br)CC1 1890916870 AVSVIHHREMIONS-UHFFFAOYSA-N 437.259 5.165 30 10 IKEE CCCN(C(=O)OC(C)(C)C)[C@@]1(C#N)[C@@H](CNC(=O)OC(C)(C)C)CCCC12CCC2 1924834920 XMKRBLNLIVQDOV-KOSHJBKYSA-N 435.609 5.391 30 10 IKEE CC(C)[C@H]1C[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)CN1Cc1ccccc1 1942592866 HGIGKVIIYAGFFE-RCZVLFRGSA-N 439.625 5.678 30 10 IKEE C=C([C@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)C(C)(C)C 1947455833 VPZYXSHZKNOVAN-BKMJKUGQSA-N 429.649 5.126 30 10 IKEE C#Cc1ccc([C@@H]2[C@@H](C(=O)O)CCN2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 1952802377 XAKNHWNHRZTSBC-AZGAKELHSA-N 437.495 5.065 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)C1(NC(=O)OC(C)(C)C)CC(C(C)(C)C)C1 2001668443 VSKPHVAUPUUPHF-GUXMJAIHSA-N 430.633 5.457 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)C1(C#N)CCC2(CCCN2C(=O)OC(C)(C)C)CC1 2002571593 FDTJALLXIPOMHV-UHFFFAOYSA-N 435.609 5.486 30 10 IKEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)C1=CC[C@H](C(C)(C)C)CC1 2010744447 RJJVUIHYRSPAHT-YUXAGFNASA-N 429.601 5.827 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C12CCC(NC(=O)OC(C)(C)C)(CC1)C2 2012812756 JRRXBLWLQBGALX-OIEGUCRUSA-N 428.617 5.355 30 10 IKEE CC(C)(C)OC(=O)N(CCC(=O)Nc1ccc(C(F)(F)F)cc1C#N)Cc1ccccc1 2060821700 ZFAXHTILUZICJJ-UHFFFAOYSA-N 447.457 5.343 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCN(C(=O)OC(C)(C)C)C[C@H]2C)cc1 2070601727 CZOCOUMHOQOGFH-KBMIEXCESA-N 443.588 5.666 30 10 IKEE O=C(C1=CCCCO1)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071356719 PUHCHEQQULBAJA-AREMUKBSSA-N 430.500 5.141 30 10 IKEE C#CC[C@@H](C[C@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC)C1CC1 2076099353 PAYAWQVYQCUYPU-GVAUOCQISA-N 442.644 5.294 30 10 IKEE Cc1cc(C)c([C@H](C2CC2)n2nc(C(F)(F)F)c(C=NO)c2Br)c(C)c1 2079858541 RKAJLWJAAVTIRC-HNNXBMFYSA-N 430.268 5.397 30 10 IKEE CC(C)[C@H](c1ccc(C(F)(F)F)cc1)n1nc(C(F)F)c(C=NO)c1Br 2079932640 DSCPESXCPCXVIF-CYBMUJFWSA-N 440.210 5.656 30 10 IKEE C[C@H](C[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1)C(F)(F)F 2121446082 WVMPERGZQPHKSP-SJKOYZFVSA-N 435.284 6.061 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NC)c2ccc(Cl)c(Br)c2F)C1 2126683882 DCUYQQXETSZELH-INIZCTEOSA-N 447.776 5.363 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)C(C#N)(C(F)(F)F)C(F)(F)F 2127480152 IFWMDKLQFCGUJA-UHFFFAOYSA-N 447.173 5.578 30 10 IKEE N#C[C@@H](C(=O)c1csc(Br)c1Br)c1ccc(F)cc1Cl 2150364209 FMDHXWJFHSQFHT-MRVPVSSYSA-N 437.515 5.556 30 10 IKEE CO[C@@H]1CC(F)(F)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2162034935 NSVYKPXSWFXMAZ-CRAIPNDOSA-N 445.304 5.287 30 10 IKEE CC[C@@]1(CNc2cc(Br)c(C#N)cc2F)CCCN(C(=O)OC(C)(C)C)C1 2162411207 UFNFGVRAOIOUOQ-FQEVSTJZSA-N 440.357 5.299 30 10 IKEE CC[C@]1(CNc2cc(Br)c(C#N)cc2F)CCCN(C(=O)OC(C)(C)C)C1 2162411210 UFNFGVRAOIOUOQ-HXUWFJFHSA-N 440.357 5.299 30 10 IKEE CCCC#C[C@H](NCCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2218435994 TWVPLTXBAAVCPK-MHZLTWQESA-N 427.588 6.689 30 10 IKEE O=C(C#Cc1ccccc1Br)c1csc(Br)c1Br 2220257782 HFDHVQLYBXLHBD-UHFFFAOYSA-N 448.961 5.270 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Br)cc1CC 2229246882 CUEHQZCCALZXJK-OALUTQOASA-N 425.411 5.522 30 10 IKEE CN[C@@H](C#Cc1ccccc1Br)c1cccc(N(C)C(=O)OC(C)(C)C)c1 2235721914 JLQXLHYFGPPMOJ-FQEVSTJZSA-N 429.358 5.133 30 10 IKEE CCCCCC#CC[C@H](N)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237424179 HIPAMOLSHANEKO-VQTJNVASSA-N 437.422 5.186 30 10 IKEE CC(C)(C)OC(=O)Nc1c(Cl)cc([C@@H](N)C#Cc2ccc(Cl)cc2)cc1Cl 2239578776 NQRUIBIKSXNKJM-KRWDZBQOSA-N 425.743 6.045 30 10 IKEE CC(C)(C)C#CC=CCc1sc(Br)c(Br)c1Br 2248458072 IXQIDCZRQSTFDW-UHFFFAOYSA-N 441.026 6.184 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(C)CN(C(=O)OC(C)(C)C)CC1(F)F 2252929758 VGNGVHJPTBRYBU-REWPJTCUSA-N 438.559 5.020 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NC)c2sc(Br)c(C)c2C)C1 2254701855 RAVHPVVOBXHAIR-OAHLLOKOSA-N 429.424 5.249 30 10 IKEE CC(C)[C@H](C)N(Cc1ccccc1)C(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2255768285 HLWKBACDIUUMTO-SFHVURJKSA-N 441.808 5.326 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](O)c1sc(Br)c(C)c1C 2265921399 OCHDXKOQPZRYME-MOPGFXCFSA-N 438.431 5.302 30 10 IKEE C=CCCC1([C@H](O)c2c(C)ccc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2266231371 GAZHDBMMFMYTHL-QGZVFWFLSA-N 428.342 5.133 30 10 IKEE Cc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1B1OC(C)(C)C(C)(C)O1 2282684636 UDOBYUIUKVGJCJ-UHFFFAOYSA-N 443.352 5.126 30 10 IKEE N#Cc1ccc(-c2ccc(C=C3NC(=O)N(Cc4ccc(Cl)cc4Cl)C3=O)o2)cc1 2293024386 NAUKMNVUBKJARB-UHFFFAOYSA-N 438.270 5.218 30 10 IKEE C#CCOc1c(Cl)cc(C=C2SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl 2293379578 GDWZBCGLGZEQML-UHFFFAOYSA-N 438.719 5.900 30 10 IKEE O=C1C(=O)N(c2ccccn2)[C@H](c2cccc(Cl)c2)C1=C(O)c1ccc(Cl)cc1 2296124894 ZWAAUTXRPQCQGQ-LJQANCHMSA-N 425.271 5.015 30 10 IKEE CN[C@@H](C#Cc1ccc(Br)cc1)CCC[C@@H](NC(=O)OC(C)(C)C)C(C)C 2296294933 YVLSNKGBQRDPBE-WOJBJXKFSA-N 437.422 5.108 30 10 IKEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccc(F)cc2)cc1 2296923851 CGUGPNGMUCWTCC-OAQYLSRUSA-N 444.487 5.370 30 10 IKEE N#Cc1ccccc1COc1ccccc1C=C1SC(=O)N(c2cccc(Cl)c2)C1=O 2297462077 YVEOFOWVGGOEFV-UHFFFAOYSA-N 446.915 6.032 30 10 IKEE Oc1ccc(N=CC=Cc2cccc(Br)c2)cc1-c1nc2ccccc2s1 2297504997 AZIFYQDMFJNOQK-UHFFFAOYSA-N 435.346 6.847 30 10 IKEE Cc1ccc(N=C2NC(=O)C(=Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)S2)c(C)c1 2313511467 YHRXWBRFGDEDGJ-UHFFFAOYSA-N 435.980 6.256 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)N(c3ccccc3)c3ccccc3)c2)cc1 2314429947 SDBQLCYWBSDTSF-UHFFFAOYSA-N 433.507 7.228 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=Nc1cccnc1 2314541021 CYJDAFVCRCONCJ-UHFFFAOYSA-N 432.461 5.040 30 10 IKEE CCCCCCCCCCCn1c(C=Cc2c(Cl)cccc2Cl)nc2ccccc21 2314591593 TVHBSNFOSCNDEM-UHFFFAOYSA-N 443.462 9.044 30 10 IKEE CCCN[C@@H](C#CCSC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2314636404 NIYXKSPQSIECGI-KRWDZBQOSA-N 427.408 5.203 30 10 IKEE COC(=O)c1ccc(CSc2nnc(C3CC3)n2N=Cc2ccc(C(C)(C)C)cc2)o1 2320849897 CKRLCJMLGJEQDN-UHFFFAOYSA-N 438.553 5.007 30 10 IKEE CCCOc1ccc(C=Nn2c(CC)nnc2SCCc2ccccc2)cc1OCC 2321010292 AHYIOQCOLSLPDH-UHFFFAOYSA-N 438.597 5.245 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1N=Cc1ccccc1 2321370969 DBUDMTHLFRZRGD-UHFFFAOYSA-N 447.391 5.757 30 10 IKEE CCc1ccc(C=Nn2c(CCCOc3cc(C)c(Cl)c(C)c3)nnc2SC)cc1 2321395018 POMASXAESLVGPP-UHFFFAOYSA-N 443.016 5.726 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1c(C)nn(C)c1C 2321823555 CNYUAXBNUNIGSC-UHFFFAOYSA-N 437.400 5.062 30 10 IKEE CCC(CC)c1nnc(S)n1N=Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 2321901439 LIESQCSHYIMFHA-UHFFFAOYSA-N 444.988 5.594 30 10 IKEE COc1ccc(CCN2COc3cc(C)c4c(c3C2)OC(=Cc2ccc(C)cc2)C4=O)cc1 2321937605 ASBGRLQFPZRYFH-UHFFFAOYSA-N 441.527 5.323 30 10 IKEE CC[C@@H](C)N1COc2cc(C)c3c(c2C1)OC(=Cc1cn(C)c2ccc(OC)cc12)C3=O 2322092258 MARDRUNRSKOFFP-MRXNPFEDSA-N 432.520 5.062 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccccc1OCC(=O)Nc1cc(C)cc(C)c1 2323022262 JJWSRMGVSWMAHS-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OC(=O)CCc4ccc(C)cc4)c3C)C2=O)cc1 2323081309 NWWTZELKZIYKCM-UHFFFAOYSA-N 428.484 5.466 30 10 IKEE COc1cc(C=NNc2nc3ccccc3s2)ccc1OCc1ccc(C(C)(C)C)cc1 2323153669 SYABAVHVAAVNOM-UHFFFAOYSA-N 445.588 6.627 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC)c(OCc3cc(C)ccc3C)c2)c1 2323177577 LYRWMJNLUGFEHI-UHFFFAOYSA-N 432.516 5.804 30 10 IKEE COc1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2sccc2C)C3=O)cc1 2323424095 RHECKENRRLWJKL-UHFFFAOYSA-N 432.497 5.609 30 10 IKEE Cc1cc(OC(=O)CCOc2ccccc2)cc2c1C(=O)C(=Cc1ccc(C(C)C)cc1)O2 2323688218 TUPAKRJNIOCUNW-UHFFFAOYSA-N 442.511 6.109 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 2324194325 VOYUPZQCIHMJMW-UHFFFAOYSA-N 435.451 5.916 30 10 IKEE C=C(C)COc1ccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1Br 2324281496 DVTVUHNXWRRPIQ-UHFFFAOYSA-N 449.344 7.092 30 10 IKEE Cc1cc(OCCc2ccccc2)cc2c1C(=O)C(=Cc1c(Cl)cccc1Cl)O2 2324283554 MIDBQBCHDQVFIT-UHFFFAOYSA-N 425.311 6.540 30 10 IKEE C[C@H](Oc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O)C(=O)Nc1ccc(C#N)cc1 2325301742 NJESACYSNRGTIW-SFHVURJKSA-N 436.467 5.137 30 10 IKEE COc1ccc(C)cc1NC(=O)CCOc1ccc2c(c1)OC(=Cc1cccc(C)c1)C2=O 2325471070 BZEZDBOPAQYUPV-UHFFFAOYSA-N 443.499 5.336 30 10 IKEE CCCOc1ccccc1C=Nn1c(CC)nnc1SCc1c(F)cccc1Cl 2325610639 IRJXQDVMTFCBIU-UHFFFAOYSA-N 432.952 5.596 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc(OCC(=O)Nc3ccccc3C)c2C)C1=O 2325714345 MXJBRRJSJVCCPA-UHFFFAOYSA-N 443.499 5.336 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2cccc(OC(=O)c3c(F)cccc3Cl)c2)cc1 2325746469 CLIUVUKGQFVRJP-UHFFFAOYSA-N 436.910 6.892 30 10 IKEE CCSc1nnc(CCCOc2ccc(OC)cc2)n1N=Cc1ccc(C(C)C)cc1 2326269212 HVLXTKXNHXAFCN-UHFFFAOYSA-N 438.597 5.416 30 10 IKEE CC(C)Oc1cccc(C=Nn2cnnc2SCc2ccc(Br)cc2)c1 2326606346 WDOONCLUHJCMMG-UHFFFAOYSA-N 431.359 5.002 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccccc3C)n2N=Cc2ccccn2)CC1 2328120710 DBYUALJFYWXERD-UHFFFAOYSA-N 447.652 6.620 30 10 IKEE CCCCC1CCC(c2nnc(SCC(N)=O)n2N=Cc2cccc3ccccc23)CC1 2328145323 WRIUXJLTMHHOPY-UHFFFAOYSA-N 449.624 5.355 30 10 IKEE COc1ccccc1OCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccccc1 2328240134 NLKGYTOWMFZDCE-UHFFFAOYSA-N 444.560 5.349 30 10 IKEE C=CCSc1nnc(COc2c(C)cccc2C)n1N=Cc1c(F)cccc1Cl 2328559698 QMRPUKHVTIARCO-UHFFFAOYSA-N 430.936 5.427 30 10 IKEE Cc1ccc(CSc2nnc(COc3cccc(C)c3C)n2N=Cc2cccs2)cc1 2328818683 KCGFRUOXWPUNKJ-UHFFFAOYSA-N 448.617 6.018 30 10 IKEE Cc1cccc(OCc2nnc(SCc3ccccc3F)n2N=Cc2ccco2)c1C 2328849201 IYRMAJUENHNJFW-UHFFFAOYSA-N 436.512 5.381 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2ccc(Cl)cc2)cc1 2329995188 RLPCYHUOMRQLRK-UHFFFAOYSA-N 432.980 6.005 30 10 IKEE COc1ccccc1C=Nn1c(SCCc2ccccc2)nnc1[C@@H](C)c1ccccc1 2330110839 OGXCRLROXIBTEC-FQEVSTJZSA-N 442.588 5.656 30 10 IKEE CCCN(CCC)C(=O)CSc1nnc(CC2CCCCC2)n1N=Cc1ccccc1 2330282126 ULZDNKSNPPEQDV-UHFFFAOYSA-N 441.645 5.024 30 10 IKEE CCCCOc1ccc(C=Nn2c(Cc3cccs3)nnc2SCC)cc1OC 2330366809 ONBJBINAZSRWAE-UHFFFAOYSA-N 430.599 5.112 30 10 IKEE Oc1ccc(Cl)cc1C=Nn1c(SCCc2ccccc2)nnc1-c1cccs1 2330587549 IZLKLACNHKSSCC-UHFFFAOYSA-N 440.981 5.583 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2-c2ccccc2)cc1 2330646815 FDPHOZDTTPVJMP-UHFFFAOYSA-N 428.561 5.827 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)C3CCCC3)c(OC)c2)cc1OC 2330705817 BSWKWQXKALSTHD-UHFFFAOYSA-N 444.911 5.358 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)cc1)c1ccccc1Cl 2330911149 IZLFWPOIRIXPKZ-NHCUHLMSSA-N 437.322 6.599 30 10 IKEE Cc1ccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2[C@@H]2CCCO2)cc1 2330996114 LNWPAYBHAFSAKL-IBGZPJMESA-N 447.391 5.919 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 2331017809 DEJUBPJVGZCSNR-UHFFFAOYSA-N 431.444 5.038 30 10 IKEE Fc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CCCC2)cc1 2331084175 TWRGDGJCTJRTIT-UHFFFAOYSA-N 430.552 6.403 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2Cl)cc1C 2331142633 KDRDLKOOCXYOCC-UHFFFAOYSA-N 439.338 6.654 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)Cc1ccc(F)c(C)c1 2331163177 FQSDFOSOINQSBV-UHFFFAOYSA-N 434.463 5.196 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)CCCOc1cccc(C)c1 2331183771 JVZWKDAHIRLSNP-UHFFFAOYSA-N 430.500 5.664 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)cc3)c(Cl)c2)cc1 2331193919 FQJHYGQAICAXKZ-UHFFFAOYSA-N 438.882 5.922 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)c1ccc(C)cc1 2331323602 JRMKKTAIICDGLS-UHFFFAOYSA-N 448.946 6.779 30 10 IKEE C=CCSc1nnc(CCCC)n1N=Cc1ccc(OCCCCCC)c(OC)c1 2331342850 ATLLECPJSARTDE-UHFFFAOYSA-N 430.618 5.749 30 10 IKEE Cc1cccc(CSc2nnc(C(C)(C)C)n2N=Cc2cccc(Br)c2)c1 2331377525 HMRQCMKMKBKGHV-UHFFFAOYSA-N 443.414 5.821 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OC(=O)CC(C)C 2331409067 QBIYUOBHMBVFDC-UHFFFAOYSA-N 428.956 6.494 30 10 IKEE COc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CCC2)cc1O 2331541649 UFWLKQWNJXGVMR-UHFFFAOYSA-N 428.945 5.088 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)c1ccccc1F 2331556024 HEMUBFQOOJPXGW-UHFFFAOYSA-N 442.389 5.236 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccccn3)c([N+](=O)[O-])c2)c1C 2331648991 KXSAFNNCVLZOTO-UHFFFAOYSA-N 430.460 5.339 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1OC(=O)C1CCC1 2331649188 NIZTVTDWQCMHBE-UHFFFAOYSA-N 440.967 6.574 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)cc(OC)c1OC(=O)CCC 2331864037 LVSXFOJUESJZHE-UHFFFAOYSA-N 433.331 6.332 30 10 IKEE C=CCOc1ccccc1C=C1C(=O)N(Cc2ccccc2Cl)N=C1c1ccccc1 2332114374 VPGUOJJPPOXUQK-UHFFFAOYSA-N 428.919 5.735 30 10 IKEE CCC(CC)(CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)N(C)Cc1ccccc1 2365058394 ANMLPYFDDHDIOR-ISLYRVAYSA-N 449.448 5.829 30 10 IKEE Cc1ccccc1-n1c(SCC#N)nc2c(sc(=S)n2-c2ccccc2C)c1=O 3026626 VLNPKQSKGYFSFV-UHFFFAOYSA-N 436.587 5.200 30 10 IKEE O=C1/C(=C/Nc2ccc(F)cc2)S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccsc21 20575733 FGHICAHLYXNBAT-WQRHYEAKSA-N 448.928 5.027 30 10 IKEE C=CCn1c(S[C@H](C)C(=O)NC(C)(C)CC)nc2sc(-c3ccccc3)cc2c1=O 23405516 OXXLULHMGYGQGL-OAHLLOKOSA-N 441.622 5.096 30 10 IKEE Cc1ccc(C(=O)/N=C(\NCc2c(C)nn(C)c2C)Nc2ccc(C(C)C)cc2)cc1C 32972399 GKSAOGOZDJNWEA-UHFFFAOYSA-N 431.584 5.175 30 10 IKEE COc1ccc([C@@H]2C3=C(C[C@@H](c4ccc(Cl)cc4)CC3=O)Nc3onc(C)c32)cc1O 33324917 FUGDOBUCZVYHSV-QRQCRPRQSA-N 436.895 5.309 30 10 IKEE O=C(/C=C/c1ccc2noc(-c3ccccc3)c2c1)c1ccc(-c2ccccc2Cl)o1 35516075 MQNUZBVXIIVPSN-ACCUITESSA-N 425.871 7.304 30 10 IKEE C=CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)[C@H](C)CC 36316222 VIJBPICREKKJDO-GGAORHGYSA-N 449.595 5.043 30 10 IKEE C=CCOC[C@@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1 36345929 BTNKXNDHPBLBFH-DEOSSOPVSA-N 449.595 5.057 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O)c1ccc(Cl)cc1 39754340 RSFHEKGTKSDEOS-JJFYIABZSA-N 435.819 5.126 30 10 IKEE C=CCc1ccccc1OCCCCn1c(CCCNC(=O)C(C)(C)C)nc2ccccc21 40204813 SFKUBAYPXFMALS-UHFFFAOYSA-N 447.623 5.719 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OC(=O)c4ccncc4)cc(C)c3C2=O)cc1 62883623 KQCRNEXWERJHEM-HAHDFKILSA-N 428.488 5.072 30 10 IKEE O=S(=O)(/N=C(\O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1cc(Cl)ccc1Cl 97465339 BKXQVRJJROZXNN-NEPJUHHUSA-N 438.254 5.461 30 10 IKEE CCCCCCCc1ccc(-c2ccc(C(=O)Oc3ccc(C[C@@H](C)CC)cc3)cc2)cc1 100297186 OFPKTMNHQRPVJW-DEOSSOPVSA-N 442.643 8.674 30 10 IKEE CCCCCCCCN1C(=O)/C(=C/C2=Cc3cccc(OC)c3O[C@H]2C)SC1=S 100953422 LLCQCHZZOQGXRA-UKEODDKASA-N 431.623 5.964 30 10 IKEE COc1cccc(CN2Cc3cc4cc(C)ccc4nc3S/C2=N/c2ccccc2)c1 101501570 FXVLJASZJBXDAB-CYYJNZCTSA-N 425.557 6.347 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2cccc(C)c2)cc1 169922699 YXDWRYRCEJWFQH-DEOSSOPVSA-N 438.483 5.268 30 10 IKEE COc1ccc(-c2csc(N/N=C\c3ccc(OC)c(OC)c3Br)n2)cc1 169940161 HVEFCYFMNHOIIA-FBHDLOMBSA-N 448.342 5.044 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\Nc2nc(C)cs2)cc1Br 169941663 JCDXEACPOSGEQT-HMAPJEAMSA-N 438.435 6.789 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(OC(C)C)cc1 169978772 GVJAUBAKZPIFAD-DEOSSOPVSA-N 435.564 5.805 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2cccnc2)c1 170012636 FEQAUCFMQNSISZ-XMMPIXPASA-N 426.516 5.094 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(C(C)C)cc2)c1 170066549 UYNFAGXDJPHHRY-ZJSXRUAMSA-N 433.548 5.184 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1cccc(O)c1 170081628 YNWSMGKSLFEMHQ-HSZRJFAPSA-N 433.891 5.148 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1sccc1C 170106439 GIXFANPRXWNJQK-IBGZPJMESA-N 439.920 5.501 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1ccc(OC)cc1 170116692 VLJGVKOWYSLCNH-QHCPKHFHSA-N 437.536 5.253 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 170150193 IVKJJVXMJATZGL-QHCPKHFHSA-N 435.564 5.760 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccs2)c1 170159271 VYIBCOIYHWJHSN-LJQANCHMSA-N 425.893 5.193 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccccn2)cc1 170170908 VKPMPLKEWRXAQM-VWLOTQADSA-N 434.495 5.580 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccc(F)cc2)c1 170238811 SMHVCXIEBSVTSX-DEOSSOPVSA-N 445.490 5.704 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C2CCCC2)cc1 170246278 IPVJIIQMVJYMDM-HSZRJFAPSA-N 433.504 5.060 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1cccc(O)c1 170259383 BGCNEMMKHWXYRP-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@H]1c1ccc(CC)cc1 170267849 VZNZNNRQTCQGIN-HSZRJFAPSA-N 435.564 5.543 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1c1ccccc1C 170273167 CPVLYQRMBZNGSJ-VWLOTQADSA-N 441.527 5.874 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2C)cc1 170278458 CEAHITBYABBBCF-VWLOTQADSA-N 447.575 6.085 30 10 IKEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(Cl)cc4)[C@H]3c3ccco3)ccc2O1 170286750 FLPMSBCKUPPCNH-ZSEKCTLFSA-N 435.863 5.039 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccco1 170292718 UUUCWAQTCMDHAZ-JOCHJYFZSA-N 430.504 5.059 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccc(C)o2)cc1 170302122 JJUPQLWZRFWOLC-XMMPIXPASA-N 445.515 5.777 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2C2CCCCC2)o1 170308204 UMNAHLPHVFRBBJ-IBGZPJMESA-N 444.325 5.262 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1c(C)[nH]c2ccccc12 170312150 LERQHCFCKLHSEG-HSZRJFAPSA-N 432.520 5.252 30 10 IKEE C=CCOc1cccc([C@@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2CCC)c1 170324282 TWGOHBHNNOBWBB-HSZRJFAPSA-N 435.520 5.027 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 170462632 RVLKAGXPZRHUPM-GOSISDBHSA-N 440.952 5.773 30 10 IKEE CC(C)C(=O)C1=C(O)C(=O)N(c2nc3ccc(C(C)C)cc3s2)[C@H]1c1cccs1 170477701 KBFRCUFRCFAZPR-SFHVURJKSA-N 426.563 5.606 30 10 IKEE N#Cc1c(NC(=O)c2cc3cccc(Cl)c3[nH]2)oc(-c2ccccc2)c1-c1ccccc1 170494119 MNCSLZANJKYURR-UHFFFAOYSA-N 437.886 6.872 30 10 IKEE COc1cccc(C=Nc2sc3c(c2C(=O)Nc2ccccc2)CC[C@@H](C(C)(C)C)C3)c1 254508958 DDSPIASNYTWIRP-LJQANCHMSA-N 446.616 6.911 30 10 IKEE COc1ccc(CN2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=Nc2ccccc2)cc1 254519847 PXCYRMCBCGIPEI-HOOGSHDOSA-N 439.540 5.981 30 10 IKEE Cc1ccc(C)c(N=C2S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2ccccc2)c1 254704526 BUQZDLRNSVBBNH-VUQCETKJSA-N 443.597 6.482 30 10 IKEE CCCCOC(=O)c1ccc(N=Cc2c(C)c(C#N)c3nc4ccccc4n3c2O)cc1 254835856 HSAHXPBWSPVEQH-UHFFFAOYSA-N 426.476 5.081 30 10 IKEE Cc1ccc([C@@H]2C(c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526608730 MXCHBRMQSPYIFK-JOCHJYFZSA-N 435.310 6.231 30 10 IKEE CCCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1cccc(Cl)c1 526806421 VINVWGUYBWWLNW-QQXSKIMKSA-N 441.044 6.746 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C)n2/N=C\c2ccccc2OCc2ccccc2)c1 526818487 LFCATQGAMZSVLQ-YUMHPJSZSA-N 442.588 5.957 30 10 IKEE COc1cc(/C=N\n2cnnc2SCc2cccc(F)c2)ccc1OCc1ccccc1 526824713 QDPUVAFLWZKNQT-VYYCAZPPSA-N 448.523 5.179 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@]1(C#N)CCc2cc(Br)ccc2C1 698369504 IZVDLDJAHAQOGD-JOCHJYFZSA-N 427.342 5.642 30 10 IKEE Cc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)c(Cl)c1 698393691 WLOOWGRFNTZMKK-SFHVURJKSA-N 435.749 6.417 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1ccc(C2CC2)cc1 698459359 RXMURCXKLYLVEF-FQEVSTJZSA-N 427.342 6.333 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCc2cc(F)ccc21 698487191 FHLUHSOUICYDBY-OAQYLSRUSA-N 431.305 5.695 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@H](C#N)c1cc(F)cc(Br)c1 698979655 OTYSMGSKCIFUAG-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE CCCCCCCC[C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 705437109 IQHWDEYIUFRPRL-PZUNEJSGSA-N 448.692 6.604 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@](C)(C#N)Cc1ccc(F)cc1 710792840 HBFJIWPHDNVMBU-OAQYLSRUSA-N 433.321 5.855 30 10 IKEE c1ccc(CN(Cc2ccccc2)C2(C/N=C3/N[C@H](C4CCCC4)CCS3)COC2)cc1 725100937 RKTZZAAZBQDVPF-VWLOTQADSA-N 449.664 5.099 30 10 IKEE C=CCOc1ccc(COC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)cc1 763644444 JYRBUFBGOXSVHE-UHFFFAOYSA-N 429.516 5.000 30 10 IKEE Fc1ccc(C=Nc2ccc3nc(SCc4ccc(F)c5ccccc45)sc3c2)cc1 1084043571 MWLSFFPGNKUCJN-UHFFFAOYSA-N 446.547 7.771 30 10 IKEE Cc1cc(NS(=O)(=O)c2ccc(N=Cc3ccccc3OCc3ccccc3)cc2)no1 1084599420 DTWLIOBEEKNZJJ-UHFFFAOYSA-N 447.516 5.113 30 10 IKEE N#Cc1cc(NC(=O)c2ccc(-c3cccc(Cl)c3)nc2O)ccc1OC(F)(F)F 1539858292 BXZUDCROZFXARF-UHFFFAOYSA-N 433.773 5.130 30 10 IKEE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cccc(C(F)(F)F)c1)C(=O)C2=NNc1ccccc1 1772722385 SCZJOKHZYTUERH-PKTZIBPZSA-N 443.469 5.507 30 10 IKEE C=CCOc1ccc(/C=C2/SC(=Nc3nc(-c4ccccc4)cs3)N(CC)C2=O)cc1 1772739352 SWPXEMFWXYQOPL-LLLXPECQSA-N 447.585 5.999 30 10 IKEE CCCc1nc2scc(-c3ccc(OC)c(C)c3)c2c(=O)n1Cc1cccc(C#N)c1 1857802687 GPJWKSSDWKNAJC-UHFFFAOYSA-N 429.545 5.315 30 10 IKEE N#Cc1cccc(NC(=O)c2nc(COc3ccc(Cl)cc3Cl)n3ccccc23)c1 1858336284 JUDNXODKOZXAKH-UHFFFAOYSA-N 437.286 5.344 30 10 IKEE N#Cc1ccc(NC(=O)c2nn(Cc3ccc(Cl)cc3)c(-c3ccccc3)c2Cl)cc1 1859381747 ZQBGSMKXQNFVTN-UHFFFAOYSA-N 447.325 6.029 30 10 IKEE C=CCOC(=O)c1sc(NC(=O)C2(Oc3cccc(Cl)c3)CCCCC2)nc1C 1859737034 JHMHDWMCGBFKTG-UHFFFAOYSA-N 434.945 5.168 30 10 IKEE Cc1cc(Cl)ccc1NC(=O)CSc1nc(O)c(C#N)c(-c2cccc(Cl)c2)n1 1860463832 VYXJVDVFAZUBBB-UHFFFAOYSA-N 445.331 5.067 30 10 IKEE O=C(/C=C/c1ccccc1Br)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 1860726151 IYDWPSDJPGVAFP-AATRIKPKSA-N 433.516 5.630 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCC)NC(=O)c1c(Cl)ccc(Cl)c1Cl 1861140418 YBRFZRRMIYUYTQ-MRXNPFEDSA-N 435.823 6.022 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)c1ccccc1OCC(C)C 1861356615 WIKBWKHWHYDQPT-DEOSSOPVSA-N 446.676 6.267 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(F)cc1F 1862380496 DTBXDBJNWRAUNR-GOSISDBHSA-N 440.273 5.506 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862429696 SKWVKYITHYQKQV-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1CCc1cccs1 1862442798 LBLIPXUVHBAJFW-NRFANRHFSA-N 437.948 5.531 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(CC)cc2)cc1 1862529167 CBCBUKBMGOEPGM-VWLOTQADSA-N 425.528 5.590 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862532323 VZQFLAYLYLPRMV-YTJPUZGESA-N 448.519 5.314 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2cccc(O)c2)cc1 1862532700 IXAYZTSZLZLCSB-DEOSSOPVSA-N 431.532 5.423 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2cccc(C)c2)cc1OC 1862576365 SQVIGKWSSDLMOK-XMMPIXPASA-N 449.547 5.313 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(O)cc2)cc1 1862613643 LWESNGHXZOGYOL-XMMPIXPASA-N 447.575 5.991 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(F)cc2)cc1 1862615321 JMBWWVIIMQDZQJ-DEOSSOPVSA-N 449.566 6.424 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2[C@H](C)CC)c1 1862622904 PHKPYKNANXFGBE-HOYKHHGWSA-N 449.591 6.150 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccccc1C 1862626042 SQCUUEBQJDBJNY-CYFREDJKSA-N 449.547 5.661 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2cccc(C)c2)c1 1862649364 WPCCIRZBKRMRRG-HHHXNRCGSA-N 447.534 6.235 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2cccs2)cc1 1862662877 MPCHCQKXWLUBAR-QHCPKHFHSA-N 447.556 5.659 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc2cc[nH]c2c1 1862677435 BQWGTYAARNDJIY-XMMPIXPASA-N 448.538 6.246 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862716196 AHUZQPFFIFALRG-NRFANRHFSA-N 440.326 6.133 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2ccccc2c1 1862719924 SWISAMJGTCBVBA-NRFANRHFSA-N 448.862 5.142 30 10 IKEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccc(C)cc2)cc1 1862730915 IGQNZFVJVINMJG-VWLOTQADSA-N 449.591 6.331 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(OC(C)C)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862897228 COXSFOPTMOHNMD-UHFFFAOYSA-N 437.499 5.051 30 10 IKEE N#Cc1ccc(NC2=C(c3cccc4ccccc34)C(=O)N(CCc3ccccc3)C2=O)cc1 1863223846 AOIHKQAWLFZLNF-UHFFFAOYSA-N 443.506 5.146 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC2CCCC2)=C(c2ccccc2[N+](=O)[O-])C1=O 1863593901 SMKQBGITPGSABT-UHFFFAOYSA-N 441.572 5.348 30 10 IKEE CCC[C@H](NC(=O)C[C@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866742001 RHLFPSPJVWJJKB-DQEYMECFSA-N 433.596 5.735 30 10 IKEE Cc1ccc([C@H](C(=O)N[C@@H](C(=O)Nc2cccc(C#N)c2)c2ccccc2)C(C)C)cc1 1866960242 NJOBUDVDNMRLQK-JWQCQUIFSA-N 425.532 5.103 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)[C@@H](Cc2ccccc2)c2ccccc2)n(C(C)(C)C)n1 1870000052 DXQDYHFTWFCOLU-QHCPKHFHSA-N 443.595 5.177 30 10 IKEE C=CCn1cc(OCc2cccc(F)c2)c(=O)cc1CSc1nc2ccccc2s1 1870167098 VIBYLGDFELKCRZ-UHFFFAOYSA-N 438.549 5.654 30 10 IKEE CCCCCCCCCCn1cc(OCCCc2ccccc2)c(=O)cc1CSCC 1870191955 BOOAPPDTTGYOPH-UHFFFAOYSA-N 443.697 7.254 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(Cl)cc2)c(CN2CCC[C@H](C)C2)cc1=O 1870414163 HRHSBICREKBYRN-NRFANRHFSA-N 445.047 6.131 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccccc2)cn1CCc1ccc(C)cc1 1870468169 SJQZOBBPQIORPA-UHFFFAOYSA-N 428.576 5.152 30 10 IKEE CCCCCCCCCCNC(=O)c1nn(C)c(NC(=O)CCc2ccccc2)c1F 1871323733 RIKNGAKXEYONIZ-UHFFFAOYSA-N 430.568 5.001 30 10 IKEE CCOc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCC2=CCCCC2)C4)cc1 1871348943 FHOIOGCKORXTSA-XYGWBWBKSA-N 445.559 6.052 30 10 IKEE CCCCOCCCN1COc2c(cc3c(c2C)O/C(=C\c2ccc(Cl)cc2)C3=O)C1 1871355922 MVCKWUJSGZQKQB-XKZIYDEJSA-N 441.955 5.623 30 10 IKEE COc1ccc([C@@H](C)N2COc3c(cc4c(c3C)O/C(=C\c3ccccc3F)C4=O)C2)cc1 1871359737 YNWGZPZVNYFAOA-ZKDCOOFMSA-N 445.490 5.672 30 10 IKEE Cc1c(OC(=O)c2cccc([N+](=O)[O-])c2)ccc2c1O/C(=C\c1cccc(Cl)c1)C2=O 1871373632 ARGCRLSQXZHIEA-JAIQZWGSSA-N 435.819 5.392 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c2C)C1=O 1871373660 CCQCQHHJFFUFEM-HMAPJEAMSA-N 445.427 5.137 30 10 IKEE O=C(/C=C/c1cccs1)Oc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O 1871379964 PAWKYOKCWFCQKN-QUPHNUHQSA-N 443.307 6.290 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OC(=O)c4cccc(OCC(C)C)c4)c3C)C2=O)c1 1871381378 QSSPXNBBXFXNHL-QFEZKATASA-N 442.511 6.174 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871389422 VDAZFWPPWYABKR-XKZIYDEJSA-N 446.430 5.285 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2C)C3=O)c1 1871389741 MTSDEQBDFMQBEZ-JLPGSUDCSA-N 426.468 5.704 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(O[C@H](C)C(=O)Nc3ccc(F)cc3)cc(C)c2C1=O 1871403400 XREIVKBSBOBOQE-SUVVMJBMSA-N 431.463 5.465 30 10 IKEE COC(=O)c1cccc(COc2ccc3c(c2C)O/C(=C\c2ccc(N(C)C)cc2)C3=O)c1 1871416201 RARNURSRSWMOER-IWIPYMOSSA-N 443.499 5.043 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCc4cccc(Oc5ccccc5)c4)ccc3C2=O)cc1 1871436513 BVZBLYKGLSLHPD-MIXAMLLLSA-N 448.518 7.237 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(N(CC)CC)cc2)[nH]c(N2CCCC2)n1 1871698572 QWLQBGXYSUPOPL-UHFFFAOYSA-N 439.652 5.256 30 10 IKEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccc(C)cc1 1872444277 ZYQRNFJUMCFGLK-XMMPIXPASA-N 442.625 5.349 30 10 IKEE CC(=O)Oc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 1872759076 CWGDXGFIGYOFNW-HSZRJFAPSA-N 438.508 5.892 30 10 IKEE N#C[C@H](C(=O)c1cccc(Oc2ccccc2)c1)c1nc(-c2ccc(F)c(F)c2)cs1 1872779584 MQLQQJBPDXLJAN-LJQANCHMSA-N 432.451 6.371 30 10 IKEE CCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1 1872782984 OYLNXBAIWATAAL-INIZCTEOSA-N 442.924 5.369 30 10 IKEE CSc1cccc(NC(=O)c2ccc(CSc3nc(C)c(C)c(C)c3C#N)cc2)c1 1872895319 OANAQWDEJFXKIV-UHFFFAOYSA-N 433.602 6.145 30 10 IKEE Cc1cc(NC(=O)c2ccc(CSc3nc(C)c(C)c(C)c3C#N)cc2)ccc1C(C)C 1872895455 VFVCWTQOEAPRDA-UHFFFAOYSA-N 443.616 6.855 30 10 IKEE CCCCCCCCN1C(=O)C(NC2CCCCCC2)=C(c2c(C)cc(C)cc2C)C1=O 1873120167 FAIAIPSUSSQCGV-UHFFFAOYSA-N 438.656 6.365 30 10 IKEE C=CCN1C(=O)C(NC2CCCCCCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873169245 GXOWRNWLXANZFC-UHFFFAOYSA-N 431.580 5.063 30 10 IKEE N#Cc1cccc(NC2=C(c3ccc(-c4ccccc4)cc3)C(=O)N(Cc3ccco3)C2=O)c1 1873272875 HBRQUSRQJDNWLN-UHFFFAOYSA-N 445.478 5.210 30 10 IKEE Cc1cc(C)c(C2=C(Nc3ccc(C#N)cc3)C(=O)N(CCC3=CCCCC3)C2=O)c(C)c1 1873328735 RXWBXDXEBZRDKY-UHFFFAOYSA-N 439.559 5.566 30 10 IKEE Cc1cc(C)c(C2=C(Nc3ccc(C#N)cc3)C(=O)N([C@H](C)c3ccccc3)C2=O)c(C)c1 1873328960 CGGXFVZZVGHIOV-HXUWFJFHSA-N 435.527 5.437 30 10 IKEE CCCCCCCCNC(=O)c1cc2c(N(CCC)CCC)ncnc2n1CCCOC 1873588982 HULGGCBHDDHUHY-UHFFFAOYSA-N 445.652 5.185 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(Cl)c2)cc2c(NCCCOCCCC)ncnc21 1873608155 MLIYPGJOOIHGDZ-UHFFFAOYSA-N 441.963 5.142 30 10 IKEE C=C(C)COc1ccc2c(C)c(CCC(=O)NCCc3ccc(Cl)cc3)c(=O)oc2c1 1873933011 DWTCURBQUBEXII-UHFFFAOYSA-N 439.939 5.001 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc2c(c1)C(=O)N(CCCc1ccccc1)C2=O 1873935768 YRIKKNOGZKZSAL-UHFFFAOYSA-N 448.607 5.786 30 10 IKEE COc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2ccccc2F)cc1 1874349592 UKURGFIZUQBABN-OVVQPSECSA-N 446.551 5.234 30 10 IKEE Cc1cccc(CSc2nnc(COCc3ccccc3)n2/N=C/c2cccs2)c1 1874353831 CRIROLGZNOJHST-ZVHZXABRSA-N 434.590 5.539 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(Cc3cccs3)nnc2SCc2ccccc2F)c1 1874412171 GIIZMJPBRRLJGN-ZMOGYAJESA-N 438.553 5.258 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2-c2ccco2)cc1 1874466888 HLQLSNPMDGHTSC-MFKUBSTISA-N 432.549 5.728 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1cccc(OC)c1OCC 1874475460 BCIXGDNQZGWAFD-PCLIKHOPSA-N 438.597 5.511 30 10 IKEE CC(C)Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccc(Cl)cc1 1874488385 ULXJUYDBYJWARW-WSDLNYQXSA-N 429.933 5.213 30 10 IKEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3CC)nnc2C2CCC2)cc1 1874494848 HWUCQMOJZPEYSW-WGOQTCKBSA-N 447.608 5.283 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CCC2)c(F)c1 1874496626 WJZUGULCXIYPFR-MZJWZYIUSA-N 434.515 6.152 30 10 IKEE Cc1cccc(CSc2nnc(C3CC3)n2/N=C/c2ccc(Br)cc2)c1 1874516045 CWHGIPZZCHSCJB-WSDLNYQXSA-N 427.371 5.401 30 10 IKEE CCOc1ccc(/C=N/n2c(CC)nnc2SCc2ccc(Cl)c(Cl)c2)cc1 1874527786 FLSAADZOHABMOI-FSJBWODESA-N 435.380 5.721 30 10 IKEE CC(C)Oc1ccc(/C=N/n2c(S)nnc2COc2ccc(Cl)cc2Cl)cc1 1874569162 KKXSEFHVUVJQQE-LSHDLFTRSA-N 437.352 5.122 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)N[C@@H](C)c2ccccc2)cc1C 1874573798 FSWKWBOJMBHGRK-GUCAUAJOSA-N 429.516 5.156 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(Cl)cc2)c1OCc1ccc(Cl)cc1 1874577275 GJKDGCTZIPEEHG-IZZDOVSWSA-N 447.745 7.131 30 10 IKEE Cc1ccc(C(=O)/C=C/c2c(OCC(=O)N[C@H](C)c3ccccc3)ccc3ccccc23)cc1 1874579199 BKXPDLLBMIYRHH-CRGRJFMMSA-N 449.550 6.301 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2c(OCc3cccc(F)c3)ccc3ccccc23)cc1C 1874591002 OLKHQUGQJAJEPY-OUKQBFOZSA-N 440.514 7.079 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)c1OCc1ccccc1C 1874591801 CHHJJTHOAQTINE-BMRADRMJSA-N 438.523 6.641 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 1874596570 ZIXJOIRWLHMVRK-AWNIVKPZSA-N 441.354 7.257 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2cccc(OCC(=O)N[C@H](C)c3ccccc3)c2)c1C 1874599530 QNVSSMBOAPNLKG-WOOPDLCSSA-N 441.571 6.073 30 10 IKEE CCCNC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1OC 1874602822 AMUZGFLCZSDLQM-DHZHZOJOSA-N 441.955 5.029 30 10 IKEE Cc1ccc(C)c(COc2ccc(/C=C/C(=O)c3ccc4ccccc4c3)cc2[N+](=O)[O-])c1 1874603174 LCOMANMFWIWINI-UKTHLTGXSA-N 437.495 6.840 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3CC)cc2)cc1 1874606270 FZXFLFRGNZBEOC-HMMYKYKNSA-N 441.571 6.505 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OCC(=O)Nc1cc(C)ccc1C 1874613421 SSJICGIBVSAPKW-PKNBQFBNSA-N 449.934 5.879 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OCC(=O)Nc1ccccc1F 1874613911 TYTPDYTWBAWFSW-CCEZHUSRSA-N 445.490 5.476 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OCC(=O)Nc1ccc(F)cc1 1874617550 HGKIQQHCXVCSOZ-LFYBBSHMSA-N 433.479 5.365 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OCc1cccc2ccccc12 1874625168 PCTLZLHSLLIHEX-GZTJUZNOSA-N 436.551 7.447 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OCc1ccc(Cl)cc1 1874627838 YVVHVIYDCLNUMU-VZUCSPMQSA-N 428.862 6.492 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OCC(=O)NCc1ccco1 1874629710 PXFRHROGNLAXLX-CSKARUKUSA-N 447.531 5.113 30 10 IKEE CCCCCCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(C)c(C)c1 1874681018 OFFGMOQFDIKJMZ-AREMUKBSSA-N 447.623 6.201 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc1OC(=O)C(F)(F)F 1874708519 GWUKRNBMOWUUKR-RMKNXTFCSA-N 436.426 5.365 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OC(=O)COCc1ccccc1 1874714003 ZKPCOIOQPRDFSB-JLHYYAGUSA-N 430.500 5.330 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)ccc1OC(=O)c1ccc(F)c(F)c1 1875100910 KMKWXALZWJQVMQ-YRNVUSSQSA-N 438.426 5.487 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)c(OC)c2)cc1 1875102038 WXDQEQMJWQQSEE-UXBLZVDNSA-N 444.571 6.276 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Cl)c(OC(=O)c2ccccc2C)c(OC)c1 1875118177 OXAAEFKZCWGYNV-OUKQBFOZSA-N 436.891 5.781 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1[N+](=O)[O-] 1875141640 NWWCYOVWJABVBH-YRNVUSSQSA-N 449.434 5.095 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)c1cccc(F)c1 1875160685 YOXLMVPTNPQMEE-VMPITWQZSA-N 446.808 5.881 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2)cc1 1875175901 MSMSBFFXUCRNIP-GZTJUZNOSA-N 428.528 6.273 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OC(=O)[C@@H]2CCCO2)c(Cl)c1 1875180375 KXJBPLRDCFSEAE-CYXJOQHWSA-N 435.303 5.291 30 10 IKEE CCCC[Sn](CCCC)(CCCC)c1ccc(C#N)c(Cl)c1 1880854288 VYJFWCODOSTPMH-UHFFFAOYSA-N 426.620 6.268 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](O)c1cc(Cl)cc(Br)c1 1922046981 NQPACXCOYXNBPO-RTWAWAEBSA-N 438.793 5.277 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@H]1Nc1ccc(C#N)c(Br)c1 1924922761 WGHHZQUIZHIIIL-YJBOKZPZSA-N 434.378 5.206 30 10 IKEE CC[C@@](C#N)([C@H](C)NC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)c1ccccc1OC 1944150540 OOCMGGUHIXDGAL-QMHKHESXSA-N 433.549 5.022 30 10 IKEE C[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)CCN1Cc1ccccc1 1949368015 WRVZDNMEBHJGTQ-CLOONOSVSA-N 439.987 6.028 30 10 IKEE CC[C@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(C)c1 2014649574 ZBZOKRBMIOFJBF-DVECYGJZSA-N 429.561 5.418 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)NCC 2039331960 HEXIAFOSBBACPK-DQEYMECFSA-N 438.612 5.264 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]1(CCC)CCCCN1C(=O)OC(C)(C)C 2056336639 WGXOMDMPFLYAOU-SHQCIBLASA-N 444.660 6.088 30 10 IKEE C=CCCC[C@@H](NCCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071266874 JNAUDEDWGCUNJX-HHHXNRCGSA-N 429.604 7.242 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CN(C(=O)OC(C)(C)C)C23CCCC3)c1 2072185692 PRMWWCMVOILRIO-VWLOTQADSA-N 441.572 5.562 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccccc1 2072712587 BSBBGZYNXKKSNY-IBGZPJMESA-N 428.326 5.218 30 10 IKEE Cc1ccc([C@H](n2nc(C(F)F)c(C#N)c2I)C(C)(C)C)cc1 2079052200 SLUOKZUKKAUGMK-AWEZNQCLSA-N 429.252 5.241 30 10 IKEE Fc1ccc(C(F)(F)F)c(-c2cc(Cl)n3nc(C(F)(F)F)c(C4CCC4)c3n2)c1 2081196110 CTGJXOBRHOZCNX-UHFFFAOYSA-N 437.746 6.494 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCN(C(=O)OC(C)(C)C)C12CCCCC2 2083809827 YMKADKCUMPFODH-DFBJGRDBSA-N 449.636 6.018 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)ccc1C 2137751624 HYPBPBWJRXYCRY-MOPGFXCFSA-N 425.411 5.658 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCCC[C@@]12CCNC2 2156246805 FIKCUQIMPMOLQI-SFTDATJTSA-N 434.378 5.007 30 10 IKEE Cc1ccc(CN(C)[C@H]2CC(C)(C)[C@@H]2OCc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2156384144 XBFCFDWFKPBXIP-LOSJGSFVSA-N 449.444 5.110 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](CNc2ccc(Br)cc2C#N)C(F)(F)CC1 2162283655 DCTKXGKCSJCJFI-AWEZNQCLSA-N 444.320 5.015 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1cnc(C(C)(C)C)[nH]1 2169532320 RUWGYCSBHAJABG-MRXNPFEDSA-N 433.350 5.476 30 10 IKEE Cc1c(Cl)cc(CN2CC[C@@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)cc1Br 2194166164 CHGCTSWUIDEYKF-FOIQADDNSA-N 440.618 5.469 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCNC2(CCCC2)C1 2194582367 QDQPGJHOJUQOMH-OAQYLSRUSA-N 434.378 5.149 30 10 IKEE CCCN[C@H](C#CCOC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2220413004 YTKQHJQWTOTLBV-AREMUKBSSA-N 429.560 5.535 30 10 IKEE CCCc1ccc(C#C[C@@H](CCCN(Cc2ccccc2)C(=O)OC(C)(C)C)NC)cc1 2223316132 OBTUXDPJEZDCDT-AREMUKBSSA-N 434.624 5.796 30 10 IKEE C=CCCC[C@@H](NCCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237412894 WQRSIZHOJAMVNA-WOJBJXKFSA-N 439.438 5.609 30 10 IKEE C#CCCCC[C@H](NCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237431581 VONOQHNEFUOOOR-VQTJNVASSA-N 437.422 5.057 30 10 IKEE CC1(C)OB(c2sccc2C(=O)N(Cc2ccccc2)C2CCCCC2)OC1(C)C 2247908216 PIEZJTWIOKOLIC-UHFFFAOYSA-N 425.403 5.022 30 10 IKEE CCCN[C@H](C#CC1CCCC1)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2251412690 ZKDMIRZQBQTNFD-AGILITTLSA-N 428.617 5.047 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)C2CCCCC2)s1 2255600200 MVNWSUHQOUQAMJ-UHFFFAOYSA-N 439.430 5.331 30 10 IKEE C=CCCC[C@H](OCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2274803347 BEXRRYNYIQZYPC-VWLOTQADSA-N 446.543 6.343 30 10 IKEE C=CCCC1([C@H](Cc2ccccc2Br)NCC)CN(C(=O)OC(C)(C)C)C1 2281052484 DDQINOOFVZJUQD-IBGZPJMESA-N 437.422 5.173 30 10 IKEE CC1(C)[C@@H](C=C(Cl)C(F)(F)F)[C@H]1C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1 2293806513 ZXQYGBMAQZUVMI-NSHGMRRFSA-N 449.856 6.544 30 10 IKEE C/C=C/C[C@@H](NC(=O)OC(C)(C)C)[C@H](C#Cc1cccc(Br)c1)NCCC 2296265729 AHTHXHVXMMMJIP-NTQLHHNMSA-N 435.406 5.028 30 10 IKEE CC1(C)CCC(NC(=O)OC(C)(C)C)([C@@H](O)C#Cc2ccc(Br)cc2)CC1 2296271513 DZBHQZYYFWJPEC-SFHVURJKSA-N 436.390 5.025 30 10 IKEE C/C=C/C[C@H](NC(=O)OC(C)(C)C)[C@H](C#Cc1ccc(Br)cc1)NCCC 2296300635 KVJNUYJHFFIKJP-GXOGWTJNSA-N 435.406 5.028 30 10 IKEE Clc1ccc(C=CC=Nc2ccc3oc(-c4ccccc4Cl)nc3c2)c(Cl)c1 2297100615 UMMQOWRJBFAPFS-UHFFFAOYSA-N 427.718 7.871 30 10 IKEE CC(C)(C)OC(=O)NC1([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)CCCC1 2302437445 NIWTXDXLRCDEPX-GOSISDBHSA-N 433.524 5.297 30 10 IKEE C=CC[C@@](C)(CC)[C@@H](N)c1sc(Br)c(Br)c1Br 2304025632 UUFOXEVMRMBISW-CMPLNLGQSA-N 446.046 6.028 30 10 IKEE O=C1C(=Cc2c[nH]c3ccccc23)SC(=Nc2cccnc2Cl)N1C1CCCCC1 2314539957 FQMPIGWQSMFCQD-UHFFFAOYSA-N 436.968 6.153 30 10 IKEE COc1cccc(C(C)=C2SC(=Nc3nc(C)cs3)N(C3CCCCC3)C2=O)c1 2314543575 HRXUUSVLSBSLRZ-UHFFFAOYSA-N 427.595 5.787 30 10 IKEE Cc1cc(CN(Cc2ccccc2)Cc2cccs2)cc(B2OC(C)(C)C(C)(C)O2)c1 2320595891 CLDCVECOBHNJPG-UHFFFAOYSA-N 433.426 5.558 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCc4c(Cl)cccc4Cl)cc(C)c3C2=O)cc1 2321774173 UIVLIDZECBXQLK-UHFFFAOYSA-N 425.311 6.805 30 10 IKEE Sc1nnc(C2CCCCC2)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2321889932 HRHHOJUYNBSVNV-UHFFFAOYSA-N 426.973 5.729 30 10 IKEE Sc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1cccc(Oc2ccccc2)c1 2322115132 VBMCIFAXEAWSND-UHFFFAOYSA-N 434.952 5.680 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc(C)cc1C 2322572852 BGKVSGKKMPKNBW-UHFFFAOYSA-N 447.962 6.433 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)c4ccccc4C)cc(C)c3C2=O)c(OC)c1 2322681258 KSCIVBVFFZWXMY-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OC(=O)c4ccccc4OC)cc(C)c3C2=O)cc1 2322698832 OLIIKYWGLQKRBO-UHFFFAOYSA-N 430.456 5.238 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3cc(OC(=O)C4CCCCC4)cc(C)c3C1=O)cn2C 2322738241 ULDCCYRWWVKMSO-UHFFFAOYSA-N 445.515 5.597 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(F)c(F)c2)c1OCC(=O)Nc1ccccc1C 2322785036 AXAUIDXVBITYNG-UHFFFAOYSA-N 437.442 5.195 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCc2cccc(Cl)c2)c2ccccc12 2323009397 CECXRVJVIGTWQD-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE O=C1C(=Cc2cccc(Cl)c2)Oc2cc(OC(=O)c3ccc(F)c(F)c3F)ccc21 2323126641 AKOULHUSDBXLGS-UHFFFAOYSA-N 430.765 5.593 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1OCC(=O)OCC(C)C 2323149574 OCUUACIRSQDKBC-UHFFFAOYSA-N 437.319 5.476 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O)c1ccc([N+](=O)[O-])cc1Cl 2323302083 LVZFCKIMQPBBBI-UHFFFAOYSA-N 439.782 5.223 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(Br)c1OCC 2323434554 GSNWOIJWANLQEF-UHFFFAOYSA-N 429.354 6.021 30 10 IKEE Cc1cc(OC(=O)C=Cc2ccc(C(C)C)cc2)cc2c1C(=O)C(=Cc1cccc(F)c1)O2 2323503406 RVSKJPUESSDMEX-UHFFFAOYSA-N 442.486 6.493 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(OC)c(OCc3cccc(C)c3)c(OC)c2)cc1 2323536769 KIKBHHYIRRJJLE-UHFFFAOYSA-N 444.571 6.830 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Br)c(OCC)c(OCC)c2)cc1 2323556857 YPAFLJLEOXBNGE-UHFFFAOYSA-N 431.370 6.485 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OCC(=O)NC1CCCCC1 2324173466 KUCAIVUCJCQKDD-UHFFFAOYSA-N 435.564 5.542 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OCc1ccccc1Cl 2324197122 XYIDQLYPJBYTFQ-UHFFFAOYSA-N 436.910 6.691 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3C)cc2)c(C)c1C 2324294995 DGBLWXNZVLTAKZ-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE C[C@H](Oc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O)C(=O)Nc1ccccc1Cl 2324389045 YVDRWNYMHHNGDI-AWEZNQCLSA-N 437.854 5.501 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(OC)c(OC)c1 2325566749 XLSYCSDFIUEQAK-UHFFFAOYSA-N 430.961 5.076 30 10 IKEE O=C(C=Cc1cccc(OC(=O)[C@H]2C[C@H]2c2ccccc2Cl)c1)c1ccccc1Cl 2325718015 LKCDMQORAVRLCO-SFTDATJTSA-N 437.322 6.599 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1OC(=O)Cc1ccc(F)c(C)c1 2325729029 NRRXMMLKNCGQLU-UHFFFAOYSA-N 438.882 5.840 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cccc(OC(=O)Cc2cc(C)ccc2C)c1 2325763313 DTRHBVOEALCXIO-UHFFFAOYSA-N 448.946 6.318 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc(Br)c1O 2325797228 ZLGGGNMXAXUIQQ-UHFFFAOYSA-N 425.706 5.420 30 10 IKEE Cc1nnc(SCc2cccc(Cl)c2)n1N=Cc1cc(Cl)c(O)c(Cl)c1O 2326467601 FLXRBZDEVZHUFD-UHFFFAOYSA-N 443.743 5.132 30 10 IKEE CCCCCOc1ccc(C=Nn2c(CCc3ccc(Cl)cc3)nnc2SC)cc1 2328003468 IWQMXVXXTHNBKY-UHFFFAOYSA-N 443.016 5.890 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3F)n2N=Cc2ccncc2)c(C)c1 2328899007 ABCMPJFKKIZQOR-UHFFFAOYSA-N 447.539 5.183 30 10 IKEE O=C(C=CC(=O)c1ccc(Br)cc1)Nc1ccc(OCc2ccccc2)cc1 2329423872 ODAVPIBZEYHRNP-UHFFFAOYSA-N 436.305 5.406 30 10 IKEE CCCSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1cccc(Br)c1 2329445751 CBFFVQFTIRMJRM-UHFFFAOYSA-N 443.414 5.633 30 10 IKEE Cc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2[C@@H](C)c2ccccc2)cc1 2330110465 NNYQYOGCRHZGPH-IBGZPJMESA-N 447.007 6.566 30 10 IKEE Clc1ccccc1CSc1nnc(CC2CCCCC2)n1N=Cc1cccs1 2330275516 CSXPHPQHOQRKRC-UHFFFAOYSA-N 431.030 6.290 30 10 IKEE Cc1cccc(CSc2nnc(-c3cccs3)n2N=Cc2ccc(C(C)C)cc2)c1 2330552160 PAKDSDVDHFGYRC-UHFFFAOYSA-N 432.618 6.613 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc(Cl)c1OC(=O)C1CC1 2330603814 INNZEKJZNNQZEU-UHFFFAOYSA-N 446.930 6.617 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)C=Cc1ccccc1[N+](=O)[O-])[C@@H](C)CC 2330664499 BNVWSAPONYDQRS-RDPSFJRHSA-N 445.604 5.396 30 10 IKEE Cc1ccccc1CCC(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1 2330805260 AXEVSXYMXJCODM-UHFFFAOYSA-N 439.338 6.736 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(CCCC)cc2)cc(OC)c1OC(=O)CC(C)(C)C 2330848161 HMCBPEUJSRJJCF-UHFFFAOYSA-N 448.603 7.004 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccccc3)c(OC)c2)cc1 2330849425 JJFQSEJBDQSLNX-UHFFFAOYSA-N 444.527 5.918 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1Br)c1cccnc1 2330919551 PERLCNMVWLWOAJ-UHFFFAOYSA-N 442.696 5.613 30 10 IKEE C=CCSc1nnc([C@H]2CCCO2)n1N=Cc1ccc(OCc2ccc(C)cc2)cc1 2330973958 NCHASNXBVJCHIM-JOCHJYFZSA-N 434.565 5.177 30 10 IKEE O=C(COc1ccc(Cl)cc1)Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1 2331084541 YDVZFKKGIWXKPV-UHFFFAOYSA-N 428.818 5.499 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OC(=O)c1cccc2ccccc12 2331106219 DNIRBVAINZKEOO-UHFFFAOYSA-N 444.433 6.242 30 10 IKEE Fc1cccc(CSc2nnc(C(F)(F)F)n2N=Cc2c(Cl)cccc2Cl)c1 2331123617 XKYPDCGHBZBVTB-UHFFFAOYSA-N 449.260 5.917 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1Cl 2331142911 QMJMYNJMAMTSNP-UHFFFAOYSA-N 425.311 6.428 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)Cc1ccccc1 2331254658 LOJNJNAXYJRPPZ-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(C)c3)c([N+](=O)[O-])c2)cc1 2331305473 GTFBEUMWLSHYRJ-UHFFFAOYSA-N 445.471 5.807 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)c3ccco3)c(Br)c2)ccc1F 2331337539 HOFVHHYSCSWHJI-UHFFFAOYSA-N 429.241 5.605 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3F)c(Cl)c2)cc1F 2331453729 BTYZJGPBGMTRQS-UHFFFAOYSA-N 442.845 5.671 30 10 IKEE CC(C)Cc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(C(=O)O)cc1 2331470240 VYFSOVGLFYAZDB-UHFFFAOYSA-N 428.945 5.003 30 10 IKEE C=CCSc1nnc(NC(=O)C=Cc2ccc(OCc3ccccc3Cl)cc2)s1 2331660174 OSMAUKJHQKNGTN-UHFFFAOYSA-N 443.981 5.701 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccccc3C)nnc2C(C)C)cc1OCC 2331675481 SOIYEGFABNREMC-UHFFFAOYSA-N 438.597 5.682 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)[C@H]2CCCO2)c(Cl)c1 2331792793 VPFOIFMNYHWGJF-HSZRJFAPSA-N 426.940 5.926 30 10 IKEE Cc1cc(-n2nnc(C#N)c2NC(=O)C=Cc2ccc(Cl)c(Cl)c2)ccc1Cl 2332188775 VWEYATZMNWVXIY-UHFFFAOYSA-N 432.698 5.060 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Oc2cc(Cl)c(F)cc2C#N)ccc1Br 2344225670 RYHPLJGUYMCCSI-UHFFFAOYSA-N 441.684 6.253 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2cc(Br)c(C#N)cc2F)C[C@@H]2CCC[C@H]21 2360243730 OEWXZVCPZWWYPD-XAYKYTGQSA-N 438.341 5.050 30 10 IKEE O=C1N/C(=N\N=C\c2ccc(Cl)cc2Cl)S/C1=C/c1cccc(C(F)(F)F)c1 8427406 BWLFGIDXLHWSEC-NIAVXCHTSA-N 444.265 5.606 30 10 IKEE CC1(C)C[C@](C)(c2ccccc2)c2cccc3c2N1C(=O)/C3=N\c1ccc2c(c1)OCCO2 12406339 VHXBRGQYPOBSKD-PHHYILGUSA-N 438.527 5.414 30 10 IKEE O=S(=O)(NC1CCCCC1)c1ccc(/N=C/c2ccccc2OCc2ccccc2)cc1 13977440 DQHFZHLJIORMRE-ZXVVBBHZSA-N 448.588 5.627 30 10 IKEE COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(F)c2)c1 20882353 DIOOIORMVVJZGJ-CBZJRKILSA-N 444.506 5.822 30 10 IKEE O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@@H](c1cc(Cl)ccc1O)Nc1ccccc1N2 20884123 MWXTWWWTFPPAGZ-SGANQWHYSA-N 434.898 6.164 30 10 IKEE COc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1c(F)cccc1Cl 21224418 GKUOYPLWIMATLF-PVPMGCCUSA-N 448.925 6.467 30 10 IKEE CC(C)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)cc1 21245701 CDYNFAGUWGHIAT-NGOKVRLYSA-N 442.990 7.443 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(-c3ccccc3)cc2)cc1 21258133 BQXUEYPRNZDARQ-ZCYQVOJMSA-N 437.539 5.757 30 10 IKEE C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3cc(Cl)cc(Cl)c3OC)c12 35178734 KWVMQIZNTAUQOB-KTKRTIGZSA-N 440.330 5.995 30 10 IKEE C=CCNC(=O)c1cc2scc(Br)c2n1Cc1ccc(C(F)(F)F)cc1 37542231 YNPMTDYGDSCRGD-UHFFFAOYSA-N 443.288 5.448 30 10 IKEE Cc1nnc(/N=C2/S/C(=C\c3c(F)cccc3Cl)C(=O)N2c2ccccc2)s1 39866485 HDEXHOYVTRLETH-QPRIWKSWSA-N 430.917 5.448 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)c(C)c2)[C@H]1c1ccccc1OC 40091821 VJFKURBXYNPDJK-HSZRJFAPSA-N 437.536 5.171 30 10 IKEE CCn1cc(/C=C2\Oc3c(ccc4c3CN(Cc3ccccc3)CO4)C2=O)c2ccccc21 41662126 JZJBTXXWGKCUOB-WGARJPEWSA-N 436.511 5.630 30 10 IKEE Cc1ccc(/N=C2/C(=O)N(CN(C3CCCCC3)C3CCCCC3)c3ccccc32)cc1C 59378030 UNJLJPOVGRAUOF-SJCQXOIGSA-N 443.635 6.696 30 10 IKEE CC/C(C)=N/Nc1nc2cc(C)c(NC(=O)c3cc(OC)cc(OC)c3)c(C)c2s1 78400592 YWQNKMGYWWWPGU-DHRITJCHSA-N 426.542 5.380 30 10 IKEE CC1(C)CC(=O)C(C(C2=C(O)CC(C)(C)CC2=O)c2ccc(Cl)cc2Cl)=C(O)C1 96307059 YIRIPNZLPQQTDW-UHFFFAOYSA-N 437.363 6.479 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)COc1ccc([C@@H](C)CC)cc1 100172078 QCKPFEAHLRXWEJ-VWLOTQADSA-N 431.705 8.176 30 10 IKEE C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)Nc1ccc(NC(=O)[C@]34CC[C@@H](C3)C(C)(C)C4=C)cc1)C2 100845722 UDBZVGOGQHJLND-LNYGVPGBSA-N 432.608 6.329 30 10 IKEE COc1ccc(/C=C2\S/C(=N/c3nc(-c4ccccc4)cs3)N(C)C2=O)cc1OC 101129951 ZYSFGZZHVNSDPB-QLIPUSLZSA-N 437.546 5.061 30 10 IKEE CCCCCCCCCCCn1c(CCNC(=O)c2ccc(C)cc2C)nc2ccccc21 102138829 TWRYYIAYSJYOKP-UHFFFAOYSA-N 447.667 7.156 30 10 IKEE CCCCCCCCn1c(CCCCCNC(=O)c2cccs2)nc2ccccc21 102180086 FBGUWKJFJOAMPU-UHFFFAOYSA-N 425.642 6.601 30 10 IKEE CCCCCCCCCCn1c([C@@H]2CC(=O)N(c3ccc(CC)cc3)C2)nc2ccccc21 102209847 JGNQOJGWUGYNMX-XMMPIXPASA-N 445.651 7.260 30 10 IKEE CC(C)c1ccc([C@@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2c2cccc(Cl)c2)cc1 102580579 BIGUSMGZIZKJAE-UGUGFTGJSA-N 431.919 6.090 30 10 IKEE CCCCCCCCCCCCCCCCSC[C@@H](COC)COP(=O)(O)O 141285441 RUXQRWBYYVDVFK-NRFANRHFSA-N 440.627 6.573 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2ccc(C)c(C)c2)cc1 169924237 JHTYBRDRUJFPLI-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CN1C(=S)N[C@@H](c2c(OCc3ccc(F)cc3)ccc3ccccc23)C2=C1CCCC2=O 169936794 YTKNJENUYKAEKF-VWLOTQADSA-N 446.547 5.426 30 10 IKEE CCOc1ccc(/C=N\Nc2nc(-c3ccc(OC)cc3OC)cs2)cc1OCC 169943091 DXFRJFRLFTYECT-QRVIBDJDSA-N 427.526 5.071 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@H]2c2ccccn2)c1 169996820 OFAYPCQTZFDEGT-QFIPXVFZSA-N 432.907 5.443 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(OC)cc2)=C(N2C[C@@H](C)C[C@H](C)C2)C1=O 170030485 RSIFKMAMZYAVFJ-PMACEKPBSA-N 426.601 5.114 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C)cc2)c1 170036909 GBYSJGWCFOJUKB-QHCPKHFHSA-N 447.918 5.830 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2Cc2ccco2)c1 170038737 IFKLFKXBUSMPHR-HSZRJFAPSA-N 431.488 5.019 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(O)c(Cl)c2)cc1C 170041064 IVXDLDSICZRHNZ-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccccc2)c(C)c1 170048679 IWXRISMQMBXBKC-VWLOTQADSA-N 441.527 5.910 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(Cl)cc1)c1cc2ccccc2o1 170059748 MKCGEHVOPPVIJH-JOCHJYFZSA-N 435.907 5.997 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2sccc2C)cc1C 170106548 RTYZFTONOXHONN-HXUWFJFHSA-N 437.948 6.110 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccs2)c1 170161016 GKBQXGKIQAEPQW-QFIPXVFZSA-N 444.512 5.190 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1cccs1 170162938 AKMHOBLBSCMNMP-QFIPXVFZSA-N 446.572 5.528 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C(C)(C)C)ccc3C)[C@@H]2c2cccnc2)c1 170185684 XTKCEGOSEDEWLF-DEOSSOPVSA-N 440.543 5.779 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccccc2)c1 170222979 ZDUUDWLWPWVBDB-QHCPKHFHSA-N 449.453 5.537 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccccc1)c1ccc2c(c1)CCCO2 170223209 ALXXESBMVVKJEX-HSZRJFAPSA-N 447.437 5.073 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccccc1 170226780 DDQIUGZUUYFVKQ-JOCHJYFZSA-N 447.918 5.748 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccc(F)cc2)cc1C 170238999 XOUKFPYQUBMPHQ-XMMPIXPASA-N 445.490 5.624 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccc(F)cc2)c1 170240098 YGSMFJQQYKBAAY-DEOSSOPVSA-N 445.490 5.706 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@@H]1c1ccc(F)cc1 170243656 RYUAFCZYMYXIRM-IBGZPJMESA-N 436.508 5.246 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@H]1c1cccc(O)c1 170262838 PYRJRTQTHKDKAB-JOCHJYFZSA-N 437.536 5.077 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCCOC)cc1 170266909 XNRNMTCXOKDHNC-XMMPIXPASA-N 429.516 5.017 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccco2)cc1C(C)C 170281531 KCJNUICEUYYKOA-QHCPKHFHSA-N 449.478 5.724 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2sccc2C)cc1Cl 170316294 WKQKGUZBOUSEBZ-GOSISDBHSA-N 443.908 5.090 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc(Cl)c(Cl)c2)=C(O)C(=O)N1Cc1ccco1 170316327 KFEFCEPDQKDYEU-KRWDZBQOSA-N 448.327 5.735 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(Cl)cc(Cl)c2)[C@H]1c1ccccc1F)c1ccccc1 170381729 GWICFHUNQUVJID-FQEVSTJZSA-N 442.273 5.915 30 10 IKEE COc1ccc(C(=O)[C@@H]2[C@H](c3ccsc3)C(C#N)(C#N)[C@@H]3c4ccccc4C=CN23)cc1 252590122 APCLDDMGYLAZJK-LSQMVHIFSA-N 437.524 5.167 30 10 IKEE CCOc1ccc(N=C2S/C(=C/c3cc(C)n(C)c3C)C(=O)N2C2CCCCC2)cc1 252612918 IXCUEUGQJZAPJT-MPVWDOOLSA-N 437.609 5.977 30 10 IKEE CC(C)(C)c1ccc2oc(-c3ccc(N=C/C=C/c4ccc([N+](=O)[O-])cc4)cc3)nc2c1 254669100 OKWZDIYDMBCAMI-WVQLJESZSA-N 425.488 7.116 30 10 IKEE CC(C)COc1cccc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 526488684 LYGWTNPVUTUBMO-QHCPKHFHSA-N 430.529 5.712 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(F)cc2)c1 526517072 PUWXIFOZWGGBAC-VWLOTQADSA-N 442.490 5.933 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(C)o2)cc1OC 526517158 QIBRDTXVKIODFQ-DEOSSOPVSA-N 444.487 5.314 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1/N=C\c1ccc(OC)c(OC)c1Cl 526800123 NUEKGTCYCVFYAG-OYKKKHCWSA-N 444.988 5.466 30 10 IKEE CCOc1cc(/C=N\n2c(C)nnc2SCc2ccc(C)cc2)cc(Cl)c1OCC 526804630 ZDOBTSGETRIDSA-CFRMEGHHSA-N 444.988 5.520 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1cccc(OCCC)c1 526823664 ZWNCEPZWMTXPRE-ONUIUJJFSA-N 433.581 5.456 30 10 IKEE N#Cc1cccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2cccc(Cl)c2)c1 586170405 KLXZJDOZEDBRNS-UHFFFAOYSA-N 431.344 5.256 30 10 IKEE C=CCNC(=O)Nc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C(=O)OCC)cc1 586633798 PJHWZAOBYSHOTA-UHFFFAOYSA-N 449.532 5.152 30 10 IKEE C=CCN(CC=C)C(=O)Nc1cccc(C(=O)OCc2ccc(CN(CC)CC)cc2)c1 586679365 NSNXYLLYKJOCEQ-UHFFFAOYSA-N 435.568 5.091 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H]1C(C)(C)[C@]2(C#N)Nc1cccc(Br)c1 693736959 JLBHLDRVHGNNHS-CBGDNZLLSA-N 434.378 5.179 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@H](C#N)c1cc(F)ccc1Br 698831378 YITYFPZZSUYVLK-SFHVURJKSA-N 425.342 6.113 30 10 IKEE COc1ccc(Cl)cc1/C=C1/SC(=Nc2ccccc2)N(C2CCCCC2)C1=O 725400854 NUOJNZDPURANQI-PYYWQZPNSA-N 426.969 6.285 30 10 IKEE C[C@@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@]43C)[C@H]1CCC2=NN=C/C=C/c1ccc([N+](=O)[O-])cc1 1084023710 PZDUXRAQOKZFJJ-XLYDPGTISA-N 447.623 7.468 30 10 IKEE CCCCCCCN1C(=O)C[C@@H](C(=O)Nc2cccc(C)c2)SC1=Nc1ccccc1 1084515940 PUXQZESGIRYIGC-QFIPXVFZSA-N 437.609 5.926 30 10 IKEE Cc1ccc(C=Nc2cc3c4c(c2)[C@@H](c2ccccc2)CCN4CC[C@H]3c2ccccc2)cc1 1084627569 PTPQCPAIVCLWCS-ISILISOKSA-N 442.606 7.623 30 10 IKEE Cc1nn(C)c(Oc2ccc(F)cc2)c1/C=N/OCc1cc(Cl)c(Cl)c(Cl)c1 1088719400 CPXULVDQPFJUAX-PGGKNCGUSA-N 442.705 6.171 30 10 IKEE CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)O[C@H](C#N)c1ccc(C(=O)c2ccccc2)s1 1614949999 QZBJJONELUBFOV-HBUWYVDXSA-N 434.344 5.678 30 10 IKEE Clc1cc(Cl)cc(/N=C/C(Br)=C/Nc2cc(Cl)cc(Cl)c2)c1 1615711340 PUXXFCISDZYIEE-RJENSOJQSA-N 438.967 7.351 30 10 IKEE C/C(=C1\SC(=Nc2ccncc2Cl)N(c2ccccc2)C1=O)c1ccc(C)c(C)c1 1772734434 DIOPCPDBUWLWHK-PSQPYKGGSA-N 433.964 6.551 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccc2O[C@H](CC)C(=O)OC(C)C)c1 1858737699 KROFMKQGRBARQR-HXUWFJFHSA-N 439.556 5.281 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)CCCOc1ccccc1C 1861706744 SWWZLAXGDUWPHH-DEOSSOPVSA-N 446.676 6.086 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1cccc2ccccc12 1862383422 OOZJEBMXYGICQQ-NRFANRHFSA-N 440.326 6.133 30 10 IKEE CCOc1cc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCC(C)C)ccc1O 1862436728 AAXKANLXKKGVCF-NRFANRHFSA-N 443.927 5.069 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2cccc(C)c2)c1 1862442828 LSSZMYUUUXSJAQ-HSZRJFAPSA-N 431.919 5.735 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccccc2OC)cc1 1862473865 HSNNUXISXRSDCS-VWLOTQADSA-N 441.527 5.345 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccccc2)cc1 1862514667 LAERQQZWXFCOTC-VWLOTQADSA-N 447.575 6.167 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2c(F)cccc2Cl)cc1 1862531216 ITAXCOYPQIVMKU-JOCHJYFZSA-N 441.930 5.953 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 1862531344 LSEVHPZCWXMKCD-UPVQGACJSA-N 447.575 5.304 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2ccccc2)cc1 1862531791 BLJJWRSTKNXICA-VWLOTQADSA-N 425.528 5.644 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2cccc(C)c2)cc1 1862534550 VPIDOGLTEGNGIQ-DEOSSOPVSA-N 429.491 5.475 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(OC)cc2)cc1 1862535153 AQBZJKJUSCWLNZ-XMMPIXPASA-N 427.500 5.036 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2Cl)cc1 1862536448 YGXZJFGAPRWWFX-JOCHJYFZSA-N 432.907 5.076 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862537346 SZIHBTHPSBZMRB-DEOSSOPVSA-N 449.591 5.551 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1cccc(Cl)c1 1862557126 JCCVZMDMJSCSBR-UNMCSNQZSA-N 440.971 5.859 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C2CCCC2)cc1 1862619125 ODFRSLKWBVTFJY-XMMPIXPASA-N 447.575 5.904 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc([N+](=O)[O-])c1 1862654677 PKQURQSAKKUINT-NYHFZMIOSA-N 430.460 5.125 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccc(Cl)cc2)cc1 1862662674 KQPVSLKIHMSCAQ-HSZRJFAPSA-N 446.934 5.637 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 1862667061 RSVLKTONKXQQQH-QHCPKHFHSA-N 435.564 5.068 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 1862673820 OYEIWRXXWUXIIY-IFMALSPDSA-N 427.491 5.902 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(OC)cc1 1862674108 SPGRFNLTZWCKPK-NFBKMPQASA-N 439.527 5.772 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(Cl)cc3)C2=O)c1 1862789228 DBOMSZUTVFCEJT-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CCOc1ccc(C2=C(Nc3cccc(Cl)c3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862839581 VPLHQFVPHUMOJY-UHFFFAOYSA-N 443.890 5.007 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccccc3Cl)C2=O)cc1Cl 1863073943 DOUOKEPWKXQNDM-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C)c2C)=C(c2ccc(F)c(C)c2)C1=O 1863455696 GAEREHSTRBQIFR-UHFFFAOYSA-N 436.571 6.303 30 10 IKEE Cc1ccc(-c2nc(Nc3ccc(C#N)cc3)cc(N3CCc4ccc([N+](=O)[O-])cc43)n2)cc1 1868329333 ASZJKZHMUYIKQM-UHFFFAOYSA-N 448.486 5.670 30 10 IKEE C[C@@H]1COCCN1c1cc(Nc2ccccc2C#N)nc(-c2ccc(C(C)(C)C)cc2)n1 1868549726 JWVPHALJNWGPQR-GOSISDBHSA-N 427.552 5.281 30 10 IKEE CCCCCCCCCCn1cc(OCCO)c(=O)cc1CSCc1ccccc1 1870239949 UQDXETFDYMSUJK-UHFFFAOYSA-N 431.642 5.794 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCCCOc2ccccc2)cn1CCCCC 1870316581 COROYGAIJSBFKU-UHFFFAOYSA-N 438.612 5.451 30 10 IKEE CCCCCCCOc1cn(CCC(C)C)c(CNc2cccc([N+](=O)[O-])c2C)cc1=O 1870833233 DRFSHSGZKIWNFY-UHFFFAOYSA-N 443.588 6.072 30 10 IKEE CCCCCCCCn1cc(OCC(C)C)c(=O)cc1CNc1ccc(OC)cc1C 1870858103 UJPHHORTQUQMFQ-UHFFFAOYSA-N 428.617 6.173 30 10 IKEE C=CCn1cc(OCc2c(F)cccc2Cl)c(=O)cc1CNc1cccc(OC)c1 1871089330 GFNSSYSCEFLEAF-UHFFFAOYSA-N 428.891 5.027 30 10 IKEE CCCCCCCCCCN=c1nc2c(cnn2C)c(Nc2cccc(Cl)c2Cl)[nH]1 1871298810 JHIZKGCKSILTNH-UHFFFAOYSA-N 449.430 6.388 30 10 IKEE CCCCCCCCCCN=c1[nH]c(Nc2ccc(C(F)(F)F)cc2)ncc1[N+](=O)[O-] 1871309489 GFVDJHUOYBDCRS-UHFFFAOYSA-N 439.482 6.122 30 10 IKEE COc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN([C@H]2CCCC[C@@H]2C)C4)cc1OC 1871351281 SBCIJSYXTSXHLF-PNPSGGTASA-N 449.547 5.359 30 10 IKEE CCc1ccc([C@H](C)N2COc3cc(C)c4c(c3C2)O/C(=C\c2ccccc2)C4=O)cc1 1871354553 TZEPWDVTVKXIDT-QETRNLNESA-N 425.528 6.087 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(N(C)C)cc1)C3=O)CN([C@H]1CCCC[C@H]1C)CO2 1871355492 BDEVAFHLLCDFFE-SSYCCWKBSA-N 432.564 5.408 30 10 IKEE CC(=O)Nc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2sccc2C)C3=O)c1 1871365148 PNKSQTAEUPNZSB-NDENLUEZSA-N 433.485 5.159 30 10 IKEE Cc1c(OC(=O)c2ccc(C(F)(F)F)cc2)ccc2c1O/C(=C\c1ccc(F)cc1)C2=O 1871375826 FSBGFBBFYQMQKC-NDENLUEZSA-N 442.364 5.988 30 10 IKEE CCCOc1ccccc1/C=C/C(=O)Oc1cc(C)c2c(c1)O/C(=C\c1ccccn1)C2=O 1871376174 XGZFXXVNAXUACF-UAZLBCQNSA-N 441.483 5.414 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OC(=O)/C(Cl)=C/c4ccccc4)c3C)C2=O)cc1 1871377436 LEBVZAVYHVDEFP-NNCOSQCDSA-N 430.887 6.105 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCCCCOc4cccc(C)c4)cc(C)c3C2=O)c1 1871403007 ACXHGVHJBFKNJI-ONUIUJJFSA-N 428.528 6.466 30 10 IKEE COc1ccc(C)cc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1cccc(F)c1)C2=O 1871428445 BORCVERCMIYKCC-FMCGGJTJSA-N 447.462 5.085 30 10 IKEE CCOc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2F)C3=O)cc1 1871452381 NSFCMCGFMFBUHT-UCQKPKSFSA-N 447.462 5.167 30 10 IKEE CCCCCCCCN=c1nc(N2C[C@H](C)C[C@@H](C)C2)[nH]c(=NCCCCCCCC)[nH]1 1871469244 WBZANHUSBGKOHJ-DHIUTWEWSA-N 446.728 5.743 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(Cl)cc2C)[nH]c(N2CCCCC2)n1 1871567387 LOWYRCKZCNBLOH-UHFFFAOYSA-N 431.028 5.762 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(N(C)C)cc2)[nH]c(N2CCC[C@H](C)C2)n1 1871694135 FJUUIUCEYCETLR-FQEVSTJZSA-N 439.652 5.112 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 1872229773 GCBWMBWFHVPTJO-OAQYLSRUSA-N 434.989 5.023 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)CCCC 1872427641 USTZYYDCDJGCLP-HXUWFJFHSA-N 429.026 5.010 30 10 IKEE Cc1nc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc5c(c4)CCCC5)cs3)cc2nc1C 1872759846 AYWISFUWGONMSK-OAQYLSRUSA-N 438.556 5.739 30 10 IKEE COc1cccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(Cl)cc3Cl)n2)c1 1872762430 MJDZEJMQFIDMLG-HNNXBMFYSA-N 433.316 5.381 30 10 IKEE Cc1ccc(C)c(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)c1 1872772558 PZVURYSLOZLTFI-RHSMWYFYSA-N 445.371 6.378 30 10 IKEE COc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1 1872785011 CHBHQVGBHJKTHW-XAYKGCCJSA-N 430.573 6.314 30 10 IKEE C=CCN1C(=O)C(Nc2cc(Cl)c(Cl)cc2Cl)=C(c2cc(F)cc(F)c2)C1=O 1873315872 MOYXDOFGFSQRFZ-UHFFFAOYSA-N 443.664 5.303 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(CC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422800 PPFMOTDYEZRRCB-UHFFFAOYSA-N 425.532 5.035 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2)n1/N=C/c1ccc(OCC)cc1 1874317167 ZGHLDASRXIKZFW-KOEQRZSOSA-N 436.581 5.239 30 10 IKEE CCCCOc1ccc(/C=N/n2c(COc3cccc(C)c3C)nnc2SCC)cc1 1874323954 PVMNYWBMEHAVJQ-PCLIKHOPSA-N 438.597 5.647 30 10 IKEE Cc1ccc(/C=N/n2c(CCc3ccccc3C)nnc2SCCc2ccccc2)cc1 1874362205 SQYGUYMMBWOUQQ-VFCFBJKWSA-N 440.616 5.897 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3F)n2/N=C/c2ccc(F)cc2)cc1 1874389605 VJYGQSVSHRPVCM-JFLMPSFJSA-N 434.515 5.630 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@H]3CCCO3)n2/N=C/c2cc(Cl)ccc2O)c1 1874451217 UOXWEWLFBQVWEM-BLTFUYFMSA-N 442.972 5.280 30 10 IKEE Clc1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2ccncc2)cc1Cl 1874457306 KNIDVZHYOJHQOF-WYMPLXKRSA-N 432.380 5.812 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1/N=C/c1ccccc1OCCC 1874476308 LCDIGULGFOINOX-PCLIKHOPSA-N 426.561 5.723 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1cccc(OCCC)c1 1874476410 NVCIRNUGCOLXNB-YZSQISJMSA-N 436.625 6.201 30 10 IKEE CCCCc1nnc(SCCc2ccccc2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874478476 BRUNBHIOHQJERI-HZHRSRAPSA-N 443.960 5.399 30 10 IKEE C=C(C)CSc1nnc(C2CCC2)n1/N=C/c1ccc(OCCCCC)c(OC)c1 1874495394 JDCNRZGYUYVJQS-BUVRLJJBSA-N 428.602 5.674 30 10 IKEE COC(=O)c1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C(C)C)cc1 1874514739 INBAOSUCRMQNTM-BHGWPJFGSA-N 446.935 5.155 30 10 IKEE CCCOc1c(/C=N/n2c(C)nnc2SCc2ccc(Cl)cc2)cccc1OC 1874533073 QPONVTNDFYGAHA-YDZHTSKRSA-N 430.961 5.212 30 10 IKEE CCc1ccc(C(=O)/C=C/c2c(OCC(=O)NC3CCCCC3)ccc3ccccc23)cc1 1874573029 RDHYJYFWFZNJKN-ISLYRVAYSA-N 441.571 6.126 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(Cl)cc2)c1OCc1ccccc1C 1874578369 KNDKKYZJVBDIRE-FMIVXFBMSA-N 427.327 6.786 30 10 IKEE CCc1ccccc1NC(=O)COc1ccccc1/C=C/C(=O)c1cc(C)cc(C)c1OC 1874586001 QUUFSJQMWLWMDN-CCEZHUSRSA-N 443.543 5.788 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccccc2OCC(=O)N[C@@H](C)c2ccccc2)cc1C 1874590435 AEQCSAGEPRZBMT-JLVIMGNISA-N 443.543 5.464 30 10 IKEE CCCN(CCC)C(=O)COc1ccccc1/C=C/C(=O)c1cc(Cl)ccc1OC 1874591892 HPBZHKPTHCMPQW-ZRDIBKRKSA-N 429.944 5.272 30 10 IKEE CCOC(=O)c1ccc(COc2cc(/C=C/C(=O)c3ccc(C(C)C)cc3)ccc2OC)o1 1874597502 QJCJBNKQDPWVTE-AWNIVKPZSA-N 448.515 6.063 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1)NCc1ccccc1 1874605978 OYBGVGYAVSDNMW-MDWZMJQESA-N 440.326 5.585 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)ccc1F 1874618498 DPDBVZIUODFZRF-FPYGCLRLSA-N 449.736 7.569 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2)cc1C 1874624306 WPESDKLQVRNFLD-LZYBPNLTSA-N 427.544 6.340 30 10 IKEE COc1cccc(C(=O)/C=C/c2cccc(OC(=O)CCCOc3c(C)cccc3C)c2)c1 1874695124 LVTFJKFAOKTNJO-FOCLMDBBSA-N 444.527 5.973 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OC(=O)Cc1ccccc1Cl 1874699219 KJGBGJFMQVRNBZ-PKNBQFBNSA-N 441.310 6.046 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OC(=O)COc3ccc(C)c(C)c3)c2)c1 1874706373 DSIJSCBOCCBVSD-FMIVXFBMSA-N 446.499 5.201 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OC(=O)c1ccccc1 1875082595 IXQLMVPHBKQHMT-ZHACJKMWSA-N 437.835 5.372 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccco3)c(Br)c2)cc1 1875101538 UGMQRZVNKAGDFB-YRNVUSSQSA-N 425.278 5.720 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3ccc(C)c(C)c3)c(OC)c2)c1 1875102678 MMCAYSNUGCVVND-ZRDIBKRKSA-N 446.499 5.445 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc(F)cc1F 1875110355 HHSLIEYHCOIAHK-UXBLZVDNSA-N 428.818 5.742 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c(Cl)c2)cc1 1875133441 VENXVUZWMMLBAA-VZUCSPMQSA-N 435.863 5.980 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)cc2)cc1C 1875168506 GNNPUENOPGNOSI-SDNWHVSQSA-N 426.556 6.581 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3sccc3C)c(OC)c2)c(OC)c1 1875177793 KMNOZMGIFFVGLM-WEVVVXLNSA-N 438.501 5.198 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1c(Br)cccc1Br 1922108836 XJVNHNZPEABFDE-IBGZPJMESA-N 439.191 5.635 30 10 IKEE C=C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)([C@H](C(=O)O)C(C)C)C(C)(C)C 1927528049 IAFQREWMXYNOOA-HOFKKMOUSA-N 435.564 5.853 30 10 IKEE CC(C)(C)OC(=O)NCC(C)(C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1939077918 FODUNHQYJWMKPP-KRWDZBQOSA-N 437.968 5.525 30 10 IKEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2045242569 YYFVRARKVJESCH-MZNJEOGPSA-N 447.551 5.497 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)Cc2cc(Cl)cc(Br)c2)C1 2062968853 BPONTEHBILEIIL-UHFFFAOYSA-N 428.754 5.075 30 10 IKEE CC(C)(C)[C@@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)F)c(C=NO)c1Cl 2079860306 FOJJJUVQSYQWQH-CYBMUJFWSA-N 427.776 6.076 30 10 IKEE CC(C)Oc1ccc([C@@H](C(C)C)n2nc(C(F)F)c(C=NO)c2Br)cc1 2080069738 WAWVYRZUAMYSKP-MRXNPFEDSA-N 430.293 5.424 30 10 IKEE N#C[C@@H](Nc1cccc(Br)c1)c1cc(Br)ccc1Br 2088097796 NWHGVAKWHGOTBK-CQSZACIVSA-N 444.952 5.651 30 10 IKEE CCc1ccc(C#N)c(Nc2ccc(I)cc2Br)c1 2132318383 TYHYOFHOPUKWAD-UHFFFAOYSA-N 427.083 5.231 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1ccc2c(c1)OCC2 2149632388 KPESMRPKWNLZGZ-GOSISDBHSA-N 429.314 5.390 30 10 IKEE C=CCCN(Cc1ccccc1)c1cc2c(cc1Br)[C@H](NCCC)C(=O)N2 2185657721 KEEPEIMLKBAMNM-NRFANRHFSA-N 428.374 5.025 30 10 IKEE C#CC[C@@H](C[C@H](NCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1)C1CC1 2196857835 XZWGMRZCFMWDEU-JXFKEZNVSA-N 435.406 5.886 30 10 IKEE CCCCC#CC[C@H](NCCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2203809759 ISLWFNOXOGIOCG-IBGZPJMESA-N 437.422 6.421 30 10 IKEE CC(C)(C)OC(=O)NC1CCC(CCC(=O)C#Cc2ccccc2Br)CC1 2235724047 VDSBDLUPJXCGDP-UHFFFAOYSA-N 434.374 5.233 30 10 IKEE C=CCN1C(=O)C(=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2)SC1=S 2293547218 LRZHHYIZOMOTIQ-UHFFFAOYSA-N 436.385 5.960 30 10 IKEE CCC1CCC(NC(=O)OC(C)(C)C)([C@@H](O)C#Cc2cccc(Br)c2)CC1 2296226162 CLQBJEHMXVXYKY-UEUGHCDMSA-N 436.390 5.025 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 2296762203 LMWOXDKLWIKHDC-DEOSSOPVSA-N 429.447 5.017 30 10 IKEE O=C1C(=CNc2ccccc2F)S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccsc21 2297378438 QALWZCUVRFWZPP-UHFFFAOYSA-N 448.928 5.027 30 10 IKEE CCN1C(=O)C(=Cc2cc(Br)c(OC)cc2OC)SC1=Nc1ccccc1 2297462864 VAZLWADNTQRQKV-UHFFFAOYSA-N 447.354 5.090 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)C[C@@H]2CCC[C@@H]21 2298659548 YASUXWHXMPNMKS-TUGCOKMYSA-N 428.617 5.211 30 10 IKEE CC(C=NN=C1SC(=Cc2ccccc2C)C(=O)N1Cc1ccco1)=Cc1ccccc1 2314841387 YBZVHAPSXKDDKT-UHFFFAOYSA-N 441.556 6.150 30 10 IKEE CSCCC1CC(C#N)(N(C(=O)OC(C)(C)C)c2cccc(Br)c2)C1 2321307084 AZKJSASNUVSJLT-UHFFFAOYSA-N 425.392 5.616 30 10 IKEE CCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1cnc2ccccc2n1 2321817102 CRDQXCRBUUHUQQ-UHFFFAOYSA-N 444.608 5.646 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccccc1Cl)O3)CN(CCc1ccc(F)cc1)CO2 2321937083 UOVSHDVNHSJLTK-UHFFFAOYSA-N 449.909 5.798 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1cn(C)c4ccccc14)O3)CN(Cc1ccccc1)CO2 2321981710 RNZMZYVFYJZRJB-UHFFFAOYSA-N 436.511 5.455 30 10 IKEE O=C(COc1ccc2ccccc2c1C=CC(=O)c1cccc(Cl)c1)NC1CCCCC1 2322524764 PQIKJMBANRJQMA-UHFFFAOYSA-N 447.962 6.217 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2cc(C)cc(C)c2)cc1F 2322705120 PLXIMHPVLCQYHP-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE Cc1cc(OC(=O)c2ccc(Br)cc2)cc2c1C(=O)C(=Cc1ccco1)O2 2322708418 PKYVNOZYGAWUFC-UHFFFAOYSA-N 425.234 5.186 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cc(Cl)ccc1OCCc1ccccc1 2323022557 FVVVMJBLUIMUBY-UHFFFAOYSA-N 427.327 6.520 30 10 IKEE Cc1cc(OC(=O)C=Cc2ccc(F)cc2)cc2c1C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)O2 2323045786 OZQKFFGHFRQDHU-UHFFFAOYSA-N 445.402 5.277 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)cc1 2323076208 MDKFJUDTBVHPEY-UHFFFAOYSA-N 448.446 5.133 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc4ccccc4c3)cc2)c(C)c1 2323395673 UVKHLKZKWWLSNO-UHFFFAOYSA-N 435.523 6.370 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(OC)c2)cc(Br)c1OCC 2323460212 JQBWLYKUPMMQNV-UHFFFAOYSA-N 435.314 5.160 30 10 IKEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)CCC(C)(C)C[C@@H]1CNC(=O)OC(C)(C)C 2323467655 VEONHUJWUTXNGA-RLWLMLJZSA-N 444.616 5.239 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1 2323683580 KMWRNRAXBKXRKC-UHFFFAOYSA-N 437.879 6.122 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc(Cl)c2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 2323791202 ZAWPAAFISLNMMP-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE CCOc1cc(C=NNc2nc(-c3ccccc3)c(C)s2)cc(Cl)c1OC(C)C 2323865566 UALOFDBUOWYQSM-UHFFFAOYSA-N 429.973 6.404 30 10 IKEE Cc1cc(O)c(CN2CCCCC2)c2c1C(=O)C(=Cc1ccc(Br)cc1)O2 2323985177 VUMIZLWNCUAYLV-UHFFFAOYSA-N 428.326 5.065 30 10 IKEE Cc1cc(O)c(CN2C[C@@H](C)C[C@@H](C)C2)c2c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O2 2324055172 MRQWJPIUQKHHFZ-OKILXGFUSA-N 446.374 6.102 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OCc1ccc(F)cc1 2324191902 KKLFGMAQEHVYQX-UHFFFAOYSA-N 428.862 6.492 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OCc1ccc(F)cc1 2324380752 NDGIXRNIIFWMSL-UHFFFAOYSA-N 434.507 6.325 30 10 IKEE Cc1c(O[C@@H](C)C(=O)Nc2ccccc2Cl)ccc2c1OC(=Cc1ccncc1)C2=O 2324392530 QNVRSUXLEYCCEV-HNNXBMFYSA-N 434.879 5.066 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(C)cc2)C3=O)cc1 2324478149 YNXAPHUJHHFNPC-SFHVURJKSA-N 427.500 5.580 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C)cc2)C3=O)cc1 2324478378 XTLOUASGEKWQLW-IBGZPJMESA-N 441.527 5.888 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc(Br)c1OC 2324521728 PJNRREOSNYDUKZ-UHFFFAOYSA-N 439.733 5.723 30 10 IKEE Cc1ccc(OCCOc2cc(C)c3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1 2324538756 VPNRWGFSHXMIAO-UHFFFAOYSA-N 428.528 6.501 30 10 IKEE CCOc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(F)c(C)c3)cs2)cc1OC 2324567721 PZMXWPTUMMJHJR-SFHVURJKSA-N 436.508 5.555 30 10 IKEE COc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1OC 2324672604 CYQNCDSRZDKKEF-KRWDZBQOSA-N 429.501 5.198 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2cccc(Cl)c2)C3=O)c(C)c1 2324893147 GZAWTZAOZAJKIK-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE Cc1cc(OCC(=O)N[C@H](C)c2ccccc2)cc2c1C(=O)C(=Cc1cccc(F)c1)O2 2325019821 UUOMXVUYMHJIBO-QGZVFWFLSA-N 431.463 5.007 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1cc(C)c2c(c1)OC(=Cc1sccc1C)C2=O 2325098687 WZBAEESDIQKPSL-IBGZPJMESA-N 442.577 6.262 30 10 IKEE COc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2)c(OC)c1 2325481533 HJOMXOSUDINTQX-UHFFFAOYSA-N 444.560 5.061 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(C)cc2)C3=O)cc1 2325614107 JPIMRMMQCZJGOO-LJQANCHMSA-N 441.527 6.142 30 10 IKEE Cc1cc(C)c(NC(=O)COc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)c(C)c1 2325736594 XVGWDKHGPVJXEB-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE Cc1ccc2oc(=O)cc(COc3cc(C)c4c(c3)OC(=Cc3ccc(F)cc3)C4=O)c2c1 2325741554 KKELDRDZNMPGTL-UHFFFAOYSA-N 442.442 5.744 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1ccccn1 2325909017 JYTZWVUAGYYPEI-UHFFFAOYSA-N 434.352 5.109 30 10 IKEE CCCc1nnc(SCc2ccccc2)n1N=Cc1cc(Cl)c(OCC)c(OC)c1 2326220804 QRWSWQWJQSRXCM-UHFFFAOYSA-N 444.988 5.466 30 10 IKEE CCCOc1cc(C=Nn2cnnc2SCc2ccc(C(C)(C)C)cc2)ccc1OC 2326315528 RGVPDVMNSHJYOK-UHFFFAOYSA-N 438.597 5.548 30 10 IKEE CCCCOc1cccc(C=Nn2c(C)nnc2SCc2c(F)cccc2Cl)c1 2326567826 HASJTJGJVBTNRA-UHFFFAOYSA-N 432.952 5.732 30 10 IKEE C=C(C)CSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1cccc(OC)c1 2328156088 DTXMESQHNWNIHK-UHFFFAOYSA-N 426.630 6.301 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3)n2N=Cc2cccc(O)c2)cc1C 2328945909 LARACAMDWOAPAB-UHFFFAOYSA-N 442.588 5.560 30 10 IKEE Cc1ccc(C=Nn2c(Cc3ccccc3F)nnc2SCc2ccc(F)cc2)cc1 2329712885 FNHXHMIUPHZAGR-UHFFFAOYSA-N 434.515 5.630 30 10 IKEE COc1ccccc1C=Nn1c(COc2ccccc2)nnc1SCc1ccc(C)cc1 2329874174 BSNMNCPDQRUWGL-UHFFFAOYSA-N 444.560 5.349 30 10 IKEE O=[N+]([O-])c1ccccc1C=Nn1c(CC2CCCCC2)nnc1SCc1ccccc1 2330269938 BZOBTEYMUYTTRO-UHFFFAOYSA-N 435.553 5.484 30 10 IKEE Cc1ccc(CSc2nnc(Cc3cccs3)n2N=Cc2ccc(N(C)C)cc2)cc1 2330317387 WRENMDVBPCSAMD-UHFFFAOYSA-N 447.633 5.479 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3cccs3)n2N=Cc2ccc(O)c(O)c2)c1 2330584220 GCDPMQFSWNWIPA-UHFFFAOYSA-N 436.562 5.209 30 10 IKEE Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1N=Cc1cccc(F)c1 2330649007 BDVOJYKVXNFQFV-UHFFFAOYSA-N 445.523 5.006 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)cc(Cl)c1OC(=O)Cc1ccccc1 2330752396 GTWSQXARPGGILM-UHFFFAOYSA-N 448.946 6.345 30 10 IKEE CCCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccc(CC)cc2)cc1OCC 2330765667 NHZTZCRWGHRUJY-UHFFFAOYSA-N 445.353 6.012 30 10 IKEE CCc1ccc(C=Nn2c(SCC(=O)Nc3ccccc3)nnc2C2CCCC2)cc1 2331019467 WEKJFFYVXOYXBZ-UHFFFAOYSA-N 433.581 5.111 30 10 IKEE C=C(C)CSc1nnc(C2CCCC2)n1N=Cc1ccc(OCc2ccc(C)cc2)cc1 2331069116 XFBIWHMRRCCJSQ-UHFFFAOYSA-N 446.620 6.374 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1N=Cc1cccc(C)c1 2331175055 KLXFQNWJJXIVNX-UHFFFAOYSA-N 445.548 5.022 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)cc2)cc1 2331259050 DWLKZWZBHZDJOG-OAQYLSRUSA-N 428.528 6.387 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)Cc1ccc(Cl)cc1 2331281274 CVLRVJLLGUAUSC-UHFFFAOYSA-N 434.919 6.091 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)[C@@H]1C[C@H]1c1ccccc1Cl 2331293630 JIKLVTDFFZTCFZ-FCHUYYIVSA-N 446.930 6.262 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccccc3)c(OC)c2)cc1 2331311710 PZYPFXSQFQWSBS-UHFFFAOYSA-N 446.499 5.365 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3OC)cc2Cl)c1 2331358539 JZTWLLLBKRRDOW-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(SCc2ccc(C)cc2)nnc1C(C)(C)C 2331361298 GIGNDGFQBPVKGW-UHFFFAOYSA-N 444.604 6.220 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)[C@H](C)c1ccccc1 2331450446 KXPMTUGJMHNESO-QGZVFWFLSA-N 430.456 5.029 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)c1cc2ccccc2n1C 2331535321 JPYSVMFESISUOR-UHFFFAOYSA-N 443.474 5.831 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C)c(Cl)cc3OC)cc2)cc1 2331741323 PSZQWMHVKGRUDB-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE Cc1cc(COc2cccc(Br)c2Cl)ccc1B1OC(C)(C)C(C)(C)O1 2369690038 ZOUSYJKMTWATFR-UHFFFAOYSA-N 437.570 5.289 30 10 IKEE CC(C)(C)OC(=O)N[C@@]1(C)C[C@H]2CC[C@H]1C[C@H]2Nc1ccc(C#N)cc1Br 2380855855 KZDRCPYABQIFJP-ONHLAKKPSA-N 434.378 5.205 30 10 IKEE Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)/C=C\Nc1ccc(Br)cc1 8857415 FXWLSQIMOYUMDX-KHPPLWFESA-N 433.758 6.343 30 10 IKEE C=CCn1c(C)cc(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2C)c1C 15223748 ABJPMYNNRMTPJY-UHFFFAOYSA-N 443.576 5.217 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3cccc(F)c3)nn1[C@@H]2c1ccccc1 20850499 JQMNDMOPLWXOSP-OAQYLSRUSA-N 434.540 5.368 30 10 IKEE COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1c(F)cccc1Cl 21224422 GKUOYPLWIMATLF-HAWMADMCSA-N 448.925 6.467 30 10 IKEE O=C(/C=C\c1ccccc1)Oc1ccc2c(c1)O/C(=C/c1ccc(Br)cc1)C2=O 33775556 QTPQJWDEWHKIOE-JWBDJGNDSA-N 447.284 5.684 30 10 IKEE COc1cccc(C(=O)Oc2ccccc2/C=C/C(=O)c2ccc(Br)cc2)c1 34954842 JTPCOHCPYKVBRO-SDNWHVSQSA-N 437.289 5.573 30 10 IKEE O=C(/C=C\c1ccccc1)/C=C/NNc1ccc(Cc2ccc(Cl)cc2Cl)nn1 38160417 LVHQKFUUCNWOFK-AASGJDOBSA-N 425.319 5.087 30 10 IKEE C=CCN1C(=O)c2[nH]nc(-c3cc(C)cc(C)c3O)c2[C@@H]1c1cccc(OCCC(C)C)c1 39912134 YOPRODMBEYHBHN-VWLOTQADSA-N 445.563 5.555 30 10 IKEE C=CCc1ccccc1OCCCn1c(CNC(=O)c2ccc(F)cc2)nc2ccccc21 40280210 DMOFYHOXGUTEQP-UHFFFAOYSA-N 443.522 5.303 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccncc4)c3C)C2=O)cc1 62883622 QCFGZFFKOYYSOC-KQWNVCNZSA-N 428.488 5.072 30 10 IKEE CCCCCCCOc1ccc(CNCc2ccc(F)cc2)c(OCCCCCCC)c1 100044321 QROYJJRJZWTJHW-UHFFFAOYSA-N 443.647 7.814 30 10 IKEE CCCCCCCOc1ccc(NCC(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)cc1 100077699 DCFDJKDDUHQFLN-UHFFFAOYSA-N 439.600 5.615 30 10 IKEE CCCCCCCCCCCCCCCCNCc1ccc(OCCCCC)c(OC)c1 100125313 WWHOTOKEXATGOV-UHFFFAOYSA-N 447.748 8.835 30 10 IKEE CCCCCCCCNC(=O)OCCCCCCCCCCCCCCCCS 100313204 SFDYVVMTOZDREM-UHFFFAOYSA-N 429.755 8.464 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1cc(Cl)ccc1Cl 100443698 VHNCOXCVDTXCSQ-UHFFFAOYSA-N 431.473 7.508 30 10 IKEE CCCCCCCCCCn1c([C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)nc2ccccc21 102103838 OHGZOMALSLDCHS-NOZRDPDXSA-N 445.651 7.254 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@H](c2ccccc2OCc2ccccc2C)NC(=S)N1 169937824 QRAMROGIFWWTKW-DEOSSOPVSA-N 428.557 5.250 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCC)cc1 169976086 HRXPRUQMTBHMAB-JOCHJYFZSA-N 441.955 5.897 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2cccs2)cc1C 169985517 SGIAVPYPMMWPMZ-HXUWFJFHSA-N 439.920 5.501 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1)c1cc2ccccc2o1 170057814 ROKKUHPXGZIAJD-QFIPXVFZSA-N 447.849 6.008 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2ccccc2)c1 170141826 DICCKHRRVNATCC-BXKMTCNYSA-N 425.484 5.101 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(Cl)cc2)cc1C 170237124 KJWWIZHUZWQZAH-OAQYLSRUSA-N 425.912 5.178 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1ccc(Cl)c(Cl)c1 170246450 IEXZPMJDXQCNRW-HXUWFJFHSA-N 448.346 5.769 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1c[nH]c2ccccc12 170255798 YKIXLIMVSDQUBI-QHCPKHFHSA-N 432.520 5.252 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2C)ccc1Cl 170272341 WTUOXEFFLDECGY-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccc(C)o2)c(OC)c1 170301687 NHHYCMSEVLDZDA-QHCPKHFHSA-N 447.487 5.005 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2ccc(C)o2)c(C)c1 170304957 HYZUDMSSVFNAMT-DEOSSOPVSA-N 443.499 5.313 30 10 IKEE O=S(=O)(NC1CCCCC1)c1ccc(N=Cc2cc(Cl)cc(Cl)c2O)cc1 252462963 XUFFUKKRWSPSCD-UHFFFAOYSA-N 427.353 5.061 30 10 IKEE CCc1ccc(N=C2S/C(=C/c3ccc(OC)cc3)C(=O)N2c2ccc(CC)cc2)cc1 252627380 RTCHOQLYFPLBED-OFGWUVNBSA-N 442.584 6.629 30 10 IKEE COc1cccc(C=Nc2sc3c(c2C(=O)Nc2ccc(OC)cc2OC)CCC3)c1 254815499 CXFLXFSHLTVOFN-UHFFFAOYSA-N 436.533 5.266 30 10 IKEE Cc1cccc(C=Nn2c(N)c(C(=O)Nc3cc(C)cc(C)c3)c3nc4ccccc4nc32)c1 263629831 JUVVJOMXASNSLI-UHFFFAOYSA-N 448.530 5.226 30 10 IKEE CSc1nc(O)c(C(=O)N2CCCCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1C#N 473518692 FNUXRASEEXONEJ-KRWDZBQOSA-N 435.471 5.157 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3cccc4ccccc34)[C@@H]2c2ccc(O)c(O)c2)cc1 526491052 JWEYQTXOCWDRRY-VWLOTQADSA-N 434.451 5.180 30 10 IKEE CCOc1ccc2ccccc2c1/C=N\n1c(C)nnc1SCc1cc(C)cc(C)c1 526810157 ZXUMIKHOSQWPKR-YSMPRRRNSA-N 430.577 5.930 30 10 IKEE Cc1cc(C)cc(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccccc2C)c1 526810906 SFXGWWKBAGUNMU-PKAZHMFMSA-N 426.589 5.969 30 10 IKEE CCCCCCCCC1(CCCCCCCC)C=CC([N+](=O)Nc2ccccc2)=CC1 585655939 XJFXVGOLVUXJNC-UHFFFAOYSA-N 425.681 9.124 30 10 IKEE N#Cc1cccc(C(=O)Nc2ccc(C(=O)NC(c3ccccc3)c3ccccc3)cc2)c1 586571648 LJUHYVNBHXAUFS-UHFFFAOYSA-N 431.495 5.330 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)c1sc2nc(C)c(C)cc2c1N 675030345 MDCNZUFSUITNBG-UHFFFAOYSA-N 445.717 7.706 30 10 IKEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@H](C#N)c1ccc(Cl)c(Br)c1 698832103 ZWHMQIZBRKXJEQ-GFCCVEGCSA-N 427.648 5.467 30 10 IKEE C=C(Cl)C[C@@H](NCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 710691584 ZEMBMRYMFIUXFU-IAGOWNOFSA-N 431.802 5.006 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1cccc(C(F)F)c1 710830623 MGCIUWNMVFZICQ-KRWDZBQOSA-N 437.284 6.393 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Cl)c1Br)NCC 719502759 IUYWARLALXVSQO-HZPDHXFCSA-N 431.802 5.093 30 10 IKEE N#C[C@@H](C(=O)/C=C/Sc1cc(F)ccc1F)c1nc(O)c2c3c(sc2n1)CCCC3 797938873 NVDCTVFZYJRSBY-GWJCSSMESA-N 443.500 5.036 30 10 IKEE Clc1cc(N=Cc2cccn2-c2ccc(Br)cc2)ccc1Br 1083903956 GJIJGMQTYSMJGO-UHFFFAOYSA-N 438.550 6.406 30 10 IKEE Cc1ccc(N=C2S[C@@H](C(=O)Nc3ccc(C)c(Cl)c3)CC(=O)N2C)cc1Cl 1083981465 SAVXSTUPKQEFBN-QGZVFWFLSA-N 436.364 5.200 30 10 IKEE O=C(Nc1ccccc1)[C@@H]1CC(=O)N(Cc2ccccc2)C(=Nc2cccc(Cl)c2)S1 1084061611 QJWQFHGQBHIBOB-NRFANRHFSA-N 449.963 5.501 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)CCSc2n[nH]c(NN=C(C)c3cccs3)n2)cc1 1084178012 GHWLHJHPYOVNQQ-AWEZNQCLSA-N 442.614 5.337 30 10 IKEE CCCCOC(=O)c1ccc(N=Cc2cccn2-c2ccc(Br)cc2)cc1 1084381781 OGKJGCGEFBUBPK-UHFFFAOYSA-N 425.326 5.947 30 10 IKEE CSc1nc(O)c(C(=O)N[C@H](c2ccc(C)cc2)c2ccc(F)cc2Cl)cc1C#N 1336905253 LZKXUBZTWNSMGO-LJQANCHMSA-N 441.915 5.001 30 10 IKEE Cc1ccc(C(=O)ON=C2C[C@@]3(C(=O)Nc4cc(C)cc(C)c4)CC[C@@]2(C)C3(C)C)cc1 1772722812 WAGRLVNGFRPBQA-KAYWLYCHSA-N 432.564 5.980 30 10 IKEE Cc1c(Cl)cccc1NC(=O)c1oc2c(c1C)C(=NNc1ccc(F)cc1)CCC2 1772748407 CVOPCWNUGBBTHG-UHFFFAOYSA-N 425.891 6.094 30 10 IKEE C[C@H](CCC=O)[C@H]1CC[C@H]2C3=CC[C@@H]4C[C@@H](O[C@H]5CCCCO5)CC[C@]4(C)[C@H]3CC[C@@]21C 1848440630 OPWKMRIKPKJGNX-MKHSOPNGSA-N 442.684 7.092 30 10 IKEE Fc1ccc(NC(=S)N/N=C\c2cn(-c3cccc(Cl)c3)nc2-c2ccccc2)cc1 1857811678 WPYFKVNCOQGWKH-WGARJPEWSA-N 449.942 5.652 30 10 IKEE CCCCCCCCNC(=O)[C@H](CC)NC(=O)CCCOc1ccc(C(C)(C)C)cc1 1861694526 ZGTAQFKUEXQQJY-QHCPKHFHSA-N 432.649 5.515 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(C(C)(C)C)cc1 1862461966 RHXJMPLPOYCYJD-FQEVSTJZSA-N 431.454 5.388 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(Cl)cc1Cl 1862498964 VFDFQPOFBRMFAD-FQEVSTJZSA-N 448.346 5.225 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccc(CC)cc2)cc1 1862530797 YGORMFUDHVDDJF-BCHFMIIMSA-N 439.555 6.151 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1c(F)cccc1Cl 1862585315 TXHDBBIXWWTAHB-MRXNPFEDSA-N 428.674 5.384 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(Cl)cc1Cl)c1cccc(O)c1 1862598968 ZIJVHKWJTFKISK-IBGZPJMESA-N 432.303 5.220 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 1862614420 APIWKOREYIOBLZ-DEOSSOPVSA-N 448.607 5.077 30 10 IKEE CN(C)c1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C2CCCC2)cc1 1862616796 SQFOTXZIKLBXAN-DEOSSOPVSA-N 446.591 5.571 30 10 IKEE COc1cc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C2CCCC2)ccc1O 1862620045 JKOQDUDKILOTHI-QHCPKHFHSA-N 449.547 5.219 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C2CC2)cc1 1862622485 FCVKEMYOGVKSED-XMMPIXPASA-N 446.591 5.571 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc([N+](=O)[O-])c1 1862654244 KMLLXSFGJYGJJO-HSZRJFAPSA-N 444.487 5.517 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccccc2F)c1 1862702477 DAMIRQSPESATQN-MWTRTKDXSA-N 431.463 5.174 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1C 1863253432 JAMNWIUZEFBPDR-UHFFFAOYSA-N 441.918 5.221 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccccc2Cl)C1=O 1863445893 MYHSFEFTCKLZHN-LJQANCHMSA-N 435.955 5.763 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H](C)c2ccccc2)=C(c2ccc(F)c(C)c2)C1=O 1863792290 ZZNHOPXIJCMHST-HXUWFJFHSA-N 436.571 5.925 30 10 IKEE COc1cccc(-c2nc(Nc3ccccc3C#N)cc(N3CC[C@@H](c4ccco4)C3)n2)c1 1868511588 WPSGRNNKQVADIU-HXUWFJFHSA-N 437.503 5.354 30 10 IKEE C=CCn1cc(OCCCCOc2ccccc2)c(=O)cc1CN(CCC)CCCC 1870317558 AXCBVOHXNYUUCG-UHFFFAOYSA-N 426.601 5.284 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCc2ccccc2)cn1CCc1ccc(C)cc1 1870690586 NFQLYJMDVMGBCV-UHFFFAOYSA-N 442.603 5.195 30 10 IKEE C=CCn1cc(OCc2c(C)cc(C)cc2C)c(=O)cc1CNc1ccc(C(C)(C)C)cc1 1870802689 FJGUHSQFGSXYTN-UHFFFAOYSA-N 444.619 6.448 30 10 IKEE CCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CNc1cccc(Cl)c1C 1871058379 BUUBBEXULDNNRY-UHFFFAOYSA-N 445.047 7.128 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccccc1Cl)O3)CN(CCC1=CCCCC1)CO2 1871349476 NZXHFTQZLUZDDO-UCQKPKSFSA-N 435.951 6.307 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1ccc2c(c1)O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 1871368825 PYZNELXDLJIASI-XKZIYDEJSA-N 449.846 5.403 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\C=C\c2ccccc2)C3=O)c1 1871387925 QDDUPESOLYGRAQ-UDJOLXTBSA-N 440.495 6.175 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871389947 WFTYVISOMJYMAL-HAHDFKILSA-N 446.886 6.049 30 10 IKEE Cc1ccc(OCCCOc2cc(C)c3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)cc1 1871405922 MPCQKUNSRVIYEJ-QFEZKATASA-N 444.483 5.496 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4cc(C)ccc4C)cc(C)c3C2=O)c1 1871410890 CCKLQPOSFHJBGT-PUDRWSQFSA-N 441.527 5.942 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(F)c(F)c2)ccc2c1O/C(=C\C=C\c1ccccc1)C2=O 1871443581 ZASDPQUEZIVFOR-ABVWVXPPSA-N 447.437 5.463 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(C)cc2)[nH]c(N2CCC[C@H](C)C2)n1 1871479577 ZKHAPJVWUWAMCA-QFIPXVFZSA-N 438.664 6.134 30 10 IKEE CCCCCCCCCCN=c1[nH]c(=NCC)[nH]c(=NCCCCCCCCCC)[nH]1 1871741179 YTSVSENSEUWLHQ-UHFFFAOYSA-N 434.717 5.674 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 1871993413 ZSWKNIPMWZQSTB-XMMPIXPASA-N 442.625 5.376 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC(C)C)NS(=O)(=O)c1cc(C)ccc1C 1872613700 SVEUJWPCNZPVGF-QFIPXVFZSA-N 438.678 5.253 30 10 IKEE COc1ccccc1N1CC(=O)C(c2nc(-c3ccccc3)c(-c3ccccc3)s2)=C1N 1872726099 JXHPASPZCVFDCX-UHFFFAOYSA-N 439.540 5.202 30 10 IKEE Cc1cc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc(C)c1Cl 1872763223 HGMKPHDPQMGNBZ-QGZVFWFLSA-N 441.896 5.244 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)/C(=C\c3ccccc3)c3ccccc3)n2)cc1 1872764614 RXBWEDGETWPPOG-ZBDCHNAPSA-N 436.536 6.236 30 10 IKEE N#C[C@H](C(=O)/C=C/c1ccc(F)cc1)c1nc(-c2ccc(Br)cc2)cs1 1872765073 GNSMUMXLXHHIHA-DFIVBLOKSA-N 427.298 5.601 30 10 IKEE CCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1 1872778826 VOUDOKPMLYCQOB-MRXNPFEDSA-N 447.343 6.014 30 10 IKEE Cc1cc(C)c(-c2csc([C@H](C#N)C(=O)/C(=C\c3ccccc3)c3ccccc3)n2)c(C)c1 1872786032 CEWQUSOLROFOSV-HZRUTDPJSA-N 448.591 7.152 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)/C=C/c2ccccc2Cl)n1 1872786547 MWNXZWHUJNRDMZ-OZSKJFCKSA-N 443.355 6.324 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)CCCOc3c(C)cccc3C)n2)cc1C 1872787828 SJGOYTYYYWWKKY-NRFANRHFSA-N 448.588 6.088 30 10 IKEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)Nc3cccc(Cl)c3C)cc2[nH]1 1872807057 SWOUXHVITSPJLD-UHFFFAOYSA-N 447.922 5.921 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2cccnc2)=C(c2cccc(OC)c2)C1=O 1873042712 LJOZJTMILGMFDE-UHFFFAOYSA-N 449.595 5.101 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2)C(=O)N(CCOc2ccccc2)C1=O 1873159074 CSNVDIPVLYJASH-UHFFFAOYSA-N 448.607 5.576 30 10 IKEE C=CCN1C(=O)C(Nc2cc(Cl)c(Cl)cc2Cl)=C(c2ccccc2F)C1=O 1873191936 NXFOSOFANKWBBA-UHFFFAOYSA-N 425.674 5.164 30 10 IKEE CCC(CC)c1nnc(S)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 1873502409 LIESQCSHYIMFHA-ZMOGYAJESA-N 444.988 5.594 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(CC)cc2)cc2c(NCc3ccc(OC)cc3)ncnc21 1873636607 SLCNYQGARUIADU-UHFFFAOYSA-N 441.535 5.053 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](C)Oc1ccc2c3c(c(=O)oc2c1C)CCCC3 1873936280 CWRLKZWBQGQBMP-HXUWFJFHSA-N 441.612 6.004 30 10 IKEE CCSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1ccc(Cl)cc1 1874225374 HPWJFZLFXXBVFP-BUVRLJJBSA-N 428.989 5.554 30 10 IKEE C=C(C)CSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1ccc(Cl)cc1 1874287943 FXTGATKLIIWVBY-MFKUBSTISA-N 431.049 6.946 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(CCOc3ccccc3)nnc2SCc2ccccc2)c1 1874346354 KWNRGTQEMQNSSJ-YZSQISJMSA-N 444.560 5.088 30 10 IKEE CCCSc1nnc(CCc2ccccc2C)n1/N=C/c1ccc(C(F)(F)F)cc1 1874362210 SZQLWGPIAFOSBH-CVKSISIWSA-N 432.515 5.775 30 10 IKEE Oc1cccc(/C=N/n2c(Cc3ccccc3F)nnc2SCc2ccccc2F)c1 1874375707 JJTMZMYEGVRSJK-VULFUBBASA-N 436.487 5.027 30 10 IKEE C=C(C)CSc1nnc(-c2cccs2)n1/N=C/c1ccc(OCCCCC)cc1 1874422234 BHGOILIHAONUTM-HZHRSRAPSA-N 426.611 6.126 30 10 IKEE CCc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCC(=O)Nc2ccccc2)cc1 1874436988 XCBSPIDAPHSKFU-PCLIKHOPSA-N 435.597 5.042 30 10 IKEE Cc1ccc(CSc2nnc([C@H]3CCCO3)n2/N=C/c2ccccc2OC(C)C)cc1 1874444493 YBUJJNLAWAVNEN-BHSKHCGUSA-N 436.581 5.400 30 10 IKEE Oc1ccccc1/C=N/n1c(SCc2c(Cl)cccc2Cl)nnc1[C@@H]1CCCO1 1874448619 HQTJAUPANDUTAC-RIDKEVFESA-N 449.363 5.317 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc([C@@H]2CCCO2)n1/N=C/c1ccncc1 1874448957 PCONSABOUGUDRS-HPMPDSITSA-N 434.352 5.006 30 10 IKEE CCCCCCOc1ccc(/C=N/n2c(SCCC)nnc2[C@H]2CCCO2)cc1OC 1874449241 XHABOGMSXWNUCB-HQXXTQMQSA-N 446.617 5.482 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CCCC2)cc1 1874457584 WFSPQXDUAGMHOC-DHRITJCHSA-N 445.419 6.725 30 10 IKEE COc1cccc(/C=N/n2c(SC)nnc2-c2ccco2)c1OCc1cccc(C)c1 1874463682 WGKUZZXSEGSSLM-ZVHZXABRSA-N 434.521 5.038 30 10 IKEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3ccc(C)cc3C)nnc2C(C)(C)C)c1 1874486926 QNDPHBGTXXIATG-AFUMVMLFSA-N 435.597 5.114 30 10 IKEE Cc1ccccc1CSc1nnc(CC(C)C)n1/N=C/c1ccc(Cl)c(Cl)c1 1874488876 NSPGSTCFEZBSGQ-WYMPLXKRSA-N 433.408 6.266 30 10 IKEE CCCN(CCC)C(=O)CSc1nnc(CC(C)C)n1/N=C/c1ccc(C(C)C)cc1 1874491219 GAPCDHOSIQUWAY-PCLIKHOPSA-N 443.661 5.223 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(CCC)nnc2SCCc2ccccc2)cc1 1874507989 GZHZZKKCVJPSHQ-LHLOQNFPSA-N 436.625 6.017 30 10 IKEE Cc1ccc(OCc2nnc(S)n2/N=C/c2cccc(Oc3ccccc3)c2)cc1C 1874563260 RUGHONQSFLGSFN-MFKUBSTISA-N 430.533 5.437 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2ccccc2OCc2ccccc2F)cc1Cl 1874590582 NLNNMSVUAVPBOS-ZHACJKMWSA-N 431.290 6.616 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccccc2C)c2ccccc12 1874592154 PSBPRQUNTMDZJY-SDNWHVSQSA-N 442.942 7.285 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OCc1c(Cl)cccc1Cl 1874596380 MWORZQVMCPVQFB-XYOKQWHBSA-N 427.327 6.786 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc1OCCc1ccccc1 1874600240 BGJGKFCTEGQPMQ-PKNBQFBNSA-N 436.935 6.183 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1)Nc1nccs1 1874601313 DIOYQTUHEGHGJL-OVCLIPMQSA-N 440.524 5.724 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(OC)c(OCC(=O)Nc3ccccc3)c(OC)c2)cc1 1874604233 BDMLTZHZALFZIN-NTCAYCPXSA-N 445.515 5.180 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OCC(=O)OCC(C)C)c(OC)c2)cc1 1874613708 IYCLBASDZFYPMM-IZZDOVSWSA-N 446.927 5.221 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)c1OCc1cc(C)ccc1C 1874618356 WRAHOJJPEYHGBS-VAWYXSNFSA-N 448.990 7.447 30 10 IKEE CCCOC(=O)COc1c(OC)cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1OC 1874629082 LHTLFCWAUMGXFM-MDZDMXLPSA-N 440.536 5.166 30 10 IKEE COc1ccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3ccc4ccccc4c3)c2)cc1 1874693382 CCSTVZZVWFORHY-GZTJUZNOSA-N 436.507 6.283 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc(OC)cc3)ccc2OC)c1 1874696496 DMLVPBDZRHXOQD-RIYZIHGNSA-N 432.472 5.218 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3ccccc3OC)c2)cc1 1874702336 YHEHWJUSPDEUCW-LFIBNONCSA-N 446.499 5.365 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OC(=O)CCc1ccccc1C 1874709611 LCVYKHWLFXHFHR-KPKJPENVSA-N 436.454 5.716 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1)c1ccc(F)c(F)c1 1874710533 CPSLVCYFZNCXFQ-RUDMXATFSA-N 443.789 5.642 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1OC(=O)Cc1ccc(C)cc1 1874712341 SZQYXKKULALLNU-ACCUITESSA-N 442.555 6.282 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1OC(=O)c1ccc(F)cc1 1874718056 QOOUBDVQBKAZOC-WTDSWWLTSA-N 445.273 6.256 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(N(C)C)cc3)c(OC)c2)cc1 1875100801 DLUXFZGGRBOLCF-LZYBPNLTSA-N 429.516 5.439 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC3CCCCC3)c(OC)c2)cc1 1875107669 CSFSBVVTLWODPK-GHRIWEEISA-N 434.576 6.810 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)cc2)cc1 1875112882 RVVBAZSLKDMNCB-HNAOKYFASA-N 432.903 5.954 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccccc1OC 1875115951 CLNVEGCLSIMZAX-RIYZIHGNSA-N 447.443 5.117 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Cl)c(OC(=O)Cc2cccs2)c(OC)c1 1875118023 MTZJSCKZNLHOPU-MDZDMXLPSA-N 442.920 5.463 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2ccc(/C=C/C(=O)c3cccc(Cl)c3)cc2)c1 1875123592 UMCJADAOJDXCBZ-XYOKQWHBSA-N 436.891 5.401 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)c1ccc2c(c1)OCO2 1875129208 PSNBLSDWDCXHBS-ZRDIBKRKSA-N 442.467 5.268 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3F)c([N+](=O)[O-])c2)ccc1F 1875141879 AAVVBDNOMGZYCB-KRXBUXKQSA-N 441.361 5.436 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)CCCSC 1875171738 KPXFGZZFRAYUGG-CSKARUKUSA-N 428.550 5.265 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3c(C)cc(C)cc3C)cc2)c(C)c1 1875182642 NJHBTFKNOMYJJT-FMIVXFBMSA-N 428.528 6.109 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(C(=O)OC(C)(C)C)[C@H]3CCC[C@H]32)cc1 1926547064 WWYQAHXWZPFJLV-OHUGHZGNSA-N 441.572 5.418 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 1943915458 GJWWGBFSLGFFNG-NTKDMRAZSA-N 429.561 5.548 30 10 IKEE CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCC1 1944820496 MVDWIELPVFOBTQ-HOYKHHGWSA-N 435.609 5.341 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1982204766 JLJXADBUVCDDQE-IVZQSRNASA-N 435.952 5.279 30 10 IKEE CC[C@@H]1N(C(=O)OC(C)(C)C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1991576173 MSAJRQKDCUNOJE-JTSKRJEESA-N 435.952 5.373 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CN(C(=O)OC(C)(C)C)CC1(C)C 1996502580 CTNMPIYQPBINRA-DEOSSOPVSA-N 429.561 5.276 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@@]1(C)CCN1C(=O)OC(C)(C)C 1999895951 FOBOHMVKVYEGOU-DNQXCXABSA-N 429.561 5.418 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@]1(C#N)CCCCN(Cc2ccccc2)C1 2003425970 GGLRAGBLIXOJDU-VWLOTQADSA-N 439.987 6.030 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C12CCC2 2008161845 CUONNCKUZXSZNG-XMMPIXPASA-N 427.545 5.254 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C1(C)C 2013406533 KEXVWINKHFONTL-HXOBKFHXSA-N 433.524 5.153 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)c1 2031659945 IVMOBNQEOIQTOG-HXUWFJFHSA-N 441.503 6.179 30 10 IKEE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2032553047 UDLUAWPDZFEOPT-UQBPGWFLSA-N 449.636 5.876 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1ccc(N(CC)C(=O)OC(C)(C)C)nc1 2067374395 CQABPQOYTAKQBO-XMMPIXPASA-N 439.600 5.657 30 10 IKEE C#CC[C@H](C[C@@H](N)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C1CC1 2076080364 WMONKYBIXWSVHW-XNMGPUDCSA-N 425.572 6.284 30 10 IKEE Cc1cccc(-c2cc(Cl)n3nc(C4CCCCC4)c(C#N)c3n2)c1Br 2081163517 MBIXVBZKUQCGEA-UHFFFAOYSA-N 429.749 6.040 30 10 IKEE COC(=O)c1cnc2c(-c3ccc(C(F)(F)F)c(F)c3)c(C(F)(F)F)nn2c1Cl 2081512508 FOWIAYQBCKAJIB-UHFFFAOYSA-N 441.690 5.013 30 10 IKEE C=C(C)[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]([C@@]4(C)CCC(=O)O4)CC[C@@]32C)[C@]1(C)CCC(=O)O 2085138137 LEKUPXHLKIIVCR-YRZOCZPRSA-N 430.629 6.388 30 10 IKEE Cc1sc(C)c([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)c1Br 2092954299 XHZXEYRIAQEXJG-HNNXBMFYSA-N 439.350 6.273 30 10 IKEE C=CCC1([C@@H](NCC)c2ccc(Br)c(Cl)c2)CN(C(=O)OC(C)(C)C)C1 2103289033 WCJMZSMJHZYCKA-KRWDZBQOSA-N 443.813 5.566 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1cccc(F)c1Cl 2119569896 XEDKNLGJNZIMCY-MRXNPFEDSA-N 439.712 6.248 30 10 IKEE N#Cc1ccc(Nc2ccc(Cl)c(I)c2Cl)c(F)c1F 2150320332 ABUYGJAFESYJMR-UHFFFAOYSA-N 425.003 5.491 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CC[C@H](Nc3ccc(Br)cc3C#N)C2)CC1 2155284838 RTSYLZKKVALPGT-KRWDZBQOSA-N 434.378 5.302 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)C1(C#N)CCC2(CCNC2)CC1 2155994889 JOGVLKUJMDEQEI-UHFFFAOYSA-N 434.378 5.007 30 10 IKEE CCC1(OC)CCC(C#N)(N(C(=O)OC(C)(C)C)c2cccc(Br)c2)CC1 2161439168 ANKLYINMTGGPPZ-UHFFFAOYSA-N 437.378 5.822 30 10 IKEE Cn1cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)c(C(F)F)n1 2178750293 LPCNZXAWZNAUEP-AWEZNQCLSA-N 441.276 5.127 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CC[C@@H]2Nc2ccc(C#N)c(Br)c2F)CC1 2189322703 FZDZPXLLWPUXOO-HNNXBMFYSA-N 438.341 5.051 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccc(Br)c(C#N)c2)C12CCCC2 2204302664 MIDZMXDLZVEERW-GOSISDBHSA-N 434.378 5.445 30 10 IKEE C=CCCCCCC[C@H](NC)[C@H](O)c1cc(Br)c(Br)s1 2206889947 DMWAIPIRDCTJAO-JSGCOSHPSA-N 425.230 5.421 30 10 IKEE C=CCCCCCCCC[C@H](N)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2207431917 KIKVNBCNHMXLNC-FQEVSTJZSA-N 439.438 7.103 30 10 IKEE C=C([C@@H](NC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)C(C)(C)C 2229133442 JQGJZKJWGCTCOB-QZTJIDSGSA-N 425.411 5.075 30 10 IKEE C[C@H](C(=O)C#Cc1ccccc1Br)c1ccc(NC(=O)OC(C)(C)C)cc1 2235729025 SKTMTGHWKBCERX-HNNXBMFYSA-N 428.326 5.520 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)C1(NC(=O)OC(C)(C)C)CCCC1 2235730401 OOOPIZZYILWHBJ-IBGZPJMESA-N 435.406 5.006 30 10 IKEE Cc1cc(C#N)cc(NC(=O)CCCNC(=O)OCC2c3ccccc3-c3ccccc32)c1 2243911831 XLYOBZLONLPVBU-UHFFFAOYSA-N 439.515 5.124 30 10 IKEE C[C@](O)(c1cc(Br)c(Br)s1)[C@@]1(C#N)CCCC(F)(F)C1 2281187363 AANCMLPKSOAMQJ-RYUDHWBXSA-N 429.124 5.200 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)c1c(Cl)ccc(Cl)c1Cl 2291119940 KCCSZZWJAMPRGF-FQEVSTJZSA-N 429.727 5.952 30 10 IKEE CCCOc1ccc(C(O)=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(Cl)cc2)cc1 2296079845 YNCMWBGODJXPGF-QFIPXVFZSA-N 448.906 5.150 30 10 IKEE Cc1cc(C)cc(N=C2NC(=O)C(=Cc3cc(Cl)cc(Br)c3O)S2)c1 2297298464 KBXCPNGSWKXTCB-UHFFFAOYSA-N 437.746 5.317 30 10 IKEE O=C1NC(=Nc2ccccc2)SC1=Cc1ccc(-c2ccc(Br)cc2)o1 2297303376 AJKYOJCZUDFUEE-UHFFFAOYSA-N 425.307 5.601 30 10 IKEE Cc1ccc(C(=O)C=Cc2cn(C[C@@H](O)CN3CCc4ccccc43)c3ccccc23)cc1 2297359433 SACYANIVAVEYTE-VWLOTQADSA-N 436.555 5.269 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1Br 2314429270 CJOCIAWDNRIASO-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE O=C1NC(=NN=Cc2ccco2)SC1=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 2314482390 JZZPOWMNBIETNF-UHFFFAOYSA-N 431.395 5.152 30 10 IKEE Cc1cccc(N=C2SC(=Cc3ccc(OCc4ccccc4Cl)cc3)C(=O)N2C)n1 2314540477 QRBRHDIRHITHOK-UHFFFAOYSA-N 449.963 5.856 30 10 IKEE CN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)cc2)SC1=Nc1cccnc1 2314540927 BHZCNHQTSSFPHY-UHFFFAOYSA-N 435.936 5.548 30 10 IKEE CCCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1N=Cc1ccccc1Cl 2318582057 OGARBHKDBGVNBL-UHFFFAOYSA-N 446.960 5.217 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1c(F)cccc1Cl)C3=O)CN([C@@H](C)c1ccccc1)CO2 2322371319 VBZSQHJDLBIIEZ-INIZCTEOSA-N 449.909 6.317 30 10 IKEE COc1cc(Br)cc(C=CC(=O)c2ccccc2)c1OCc1cccc(C)c1 2322547060 ZIFPTUDWUZYXBX-UHFFFAOYSA-N 437.333 6.241 30 10 IKEE O=C(C=Cc1cc(Br)ccc1OCc1ccc(F)cc1)c1ccc(F)cc1 2322747902 DYOYSNOYKRAKSY-UHFFFAOYSA-N 429.260 6.202 30 10 IKEE O=C(C=Cc1cc(Br)ccc1OCc1ccccc1F)c1ccc(F)c(F)c1 2322775700 PLOWGYFPNMQMPX-UHFFFAOYSA-N 447.250 6.342 30 10 IKEE COc1cc(C=NNC(=S)Nc2ccccc2)ccc1OCc1cccc(Cl)c1 2323047611 JRWYRFJAVIALBM-UHFFFAOYSA-N 425.941 5.248 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OCc1c(Cl)cccc1Cl 2323160883 RFOVMKXGOGBDSU-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OCC)c2Br)c(OCC)c1 2323286056 FCHFMNXCWXRSSZ-UHFFFAOYSA-N 449.341 5.550 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2323374611 NKYJORIEEOIDPG-UHFFFAOYSA-N 448.902 5.811 30 10 IKEE CCCOc1c(Br)cc(C=CC(=O)c2ccc(OC)c(OC)c2)cc1OC 2323456946 WHMUMKWAAGCJNE-UHFFFAOYSA-N 435.314 5.160 30 10 IKEE COc1ccc(OC)c(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C)o2)C3=O)c1 2323499521 UGNSBDLCYZHNIA-UHFFFAOYSA-N 446.455 5.149 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Br)c2)ccc1OCc1ccc(C)cc1 2323673164 FHRODAFZWYIYGY-UHFFFAOYSA-N 437.333 6.241 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(C)c2)C3=O)c(OCC)c1 2323783506 XQLAGHDCYRJWCC-UHFFFAOYSA-N 444.483 5.628 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2Cl)C3=O)c1 2323802865 YOKNRGYGBHEJNE-UHFFFAOYSA-N 434.875 5.883 30 10 IKEE Cc1c(OC(=O)c2ccc(OC(C)C)cc2)ccc2c1OC(=Cc1ccccc1Cl)C2=O 2323813804 DUHLELHSYRHNEJ-UHFFFAOYSA-N 448.902 6.271 30 10 IKEE COc1cc(C=NNc2nc(-c3ccccc3)cs2)cc(OC)c1OCc1ccccc1 2323840433 CCYHUQYYFCZHTE-UHFFFAOYSA-N 445.544 5.852 30 10 IKEE CCOc1cc(C=NNc2nc(-c3ccc(C)cc3C)cs2)cc(Cl)c1OC(C)C 2323844193 IBEXODSSXFQISV-UHFFFAOYSA-N 444.000 6.712 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 2323921203 SHZOZXDDYUFWLA-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1cccc(C)c1C 2323921235 CNTVXRMUBQDZRD-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE C[C@H]1C[C@@H](C)CN(Cc2c(O)ccc3c2OC(=Cc2ccc(Cl)c(Cl)c2)C3=O)C1 2324054951 QPSZODFRFVHIOO-OKILXGFUSA-N 432.347 5.793 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(F)c2)cc(OC)c1OCCc1ccccc1 2324121740 ZJBOUIDPHFDTNC-UHFFFAOYSA-N 446.518 6.089 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OCCc1ccccc1 2324151952 JLUDWEPMCISHCE-UHFFFAOYSA-N 434.963 6.990 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)c1C 2324332704 MXWIUGGPYGHUKA-HSZRJFAPSA-N 441.571 6.073 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2sccc2C)C3=O)c1 2324455681 FRHQCADTOYKSNP-KRWDZBQOSA-N 433.529 5.696 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OCc3ccccc3)c(OC)c2)c(OC)c1 2324465081 XKZZLTOYBVMAHM-UHFFFAOYSA-N 434.488 5.196 30 10 IKEE COc1cc(C=CC(=O)[C@H](C#N)c2nc(-c3cc(C)ccc3C)cs2)ccc1OC(C)=O 2324561105 RCMUDSLIMFSFQU-FQEVSTJZSA-N 446.528 5.251 30 10 IKEE N#C[C@@H](C(=O)C=Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc3c(c2)OCO3)cs1 2324623450 YOBCMJDIBOJLAM-AWEZNQCLSA-N 443.311 5.735 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OCc2cccc(F)c2)c(Cl)c1 2324696835 ASQZNNXFWVQVQL-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE Cc1cc(C)c(COc2ccc3c(c2)OC(=Cc2c(Cl)cccc2Cl)C3=O)cc1C 2324762474 GPNMJAQHLYVDAI-UHFFFAOYSA-N 439.338 7.114 30 10 IKEE CCCCCCCCCOc1ccc2c(c1)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2325183523 AJIAQRBECVUOLS-UHFFFAOYSA-N 440.583 8.099 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2c(c1C)OC(=Cc1ccc(Cl)cc1)C2=O 2325198511 IOBIHKOQNBMYFM-UHFFFAOYSA-N 427.928 5.292 30 10 IKEE Oc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccccc2Cl)cc1 2325449280 FPYVEKGBBYKQAL-UHFFFAOYSA-N 448.979 5.597 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2cc(Cl)ccc2Cl)c1)c1ccc2ccccc2c1 2325700361 LYGAXTIRTIGFSO-UHFFFAOYSA-N 447.317 7.262 30 10 IKEE CCCCCCC(=O)Oc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)ccc1OC 2325708853 OLSFTMMEENFXMQ-UHFFFAOYSA-N 435.347 6.774 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3cccs3)c2)cc1 2325710024 FRRNTOZPTMXFKT-UHFFFAOYSA-N 434.557 6.144 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C 2325714935 DEUJPKYNCBEVBY-UHFFFAOYSA-N 428.528 6.416 30 10 IKEE CCOc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccccc3Cl)c2)cc1 2325718049 SAAPIMHNTJBHBF-UHFFFAOYSA-N 436.891 5.619 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2ccccc2OC)cc1OC(=O)C1CCC1 2325723867 YREOSYLBDMRHJT-UHFFFAOYSA-N 445.309 5.068 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(C(F)(F)F)cc2)c1)c1ccc(Cl)cc1 2325730709 GFBCNLHYWYQVNT-UHFFFAOYSA-N 430.809 6.474 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccccc3F)cc(C)c2C1=O 2325739566 ZCDJOPYGGGJNMK-UHFFFAOYSA-N 447.462 5.167 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cccc(OC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)c2)c1 2325740449 JUIBNQLUORKLGJ-QFIPXVFZSA-N 442.555 6.696 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3cc(C(C)(C)C)ccc3C)c2)cc1 2325765530 HDQIHROHESHHMF-UHFFFAOYSA-N 442.555 6.345 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(OC)cc2)n1N=Cc1ccccc1Cl 2326269101 LCZJVSTXOFYNEK-UHFFFAOYSA-N 442.972 5.112 30 10 IKEE CCc1nnc(SCc2ccc(C)cc2)n1N=Cc1c(Cl)ccc(Cl)c1Cl 2326296317 AEQYBRJDHVBAGL-UHFFFAOYSA-N 439.799 6.284 30 10 IKEE Cc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1cccc(OCC(C)C)c1 2326322627 BFMXCYDCNRTBKI-UHFFFAOYSA-N 436.625 6.093 30 10 IKEE CCN(CC)c1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2Cl)cc1 2326692658 KBAZELUFVGFNMK-UHFFFAOYSA-N 434.396 5.606 30 10 IKEE Clc1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2Cl)c(Cl)c1 2326697687 CINZAOSZCRYOOL-UHFFFAOYSA-N 432.163 6.066 30 10 IKEE C=C(C)CSc1nnc(COc2c(C)cccc2C)n1N=Cc1cccc(OCC)c1 2328557099 XXBSHZWGIXTLQH-UHFFFAOYSA-N 436.581 5.423 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccccc3)n2N=Cc2cc(C)ccc2O)c1 2329891695 ULHGYXNQKBTCIH-UHFFFAOYSA-N 444.560 5.354 30 10 IKEE Oc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2-c2ccccc2)cc1O 2330684933 LWXHODVRFLAMGX-UHFFFAOYSA-N 436.924 5.184 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccc(C)cc2)cc1 2330800685 WZQYSURFKRDECI-UHFFFAOYSA-N 449.668 6.196 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)C3CCCC3)c(OC)c2)cc1 2330824421 GDWWXWDZVUDDAX-UHFFFAOYSA-N 440.967 6.683 30 10 IKEE CCSc1nnc([C@H]2CCCO2)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2330944230 ZNKFJHYAAKRQNE-HXUWFJFHSA-N 442.972 5.356 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCCC)nnc2[C@H]2CCCO2)cc1OCC 2330977221 XAGSBTUYICTOHJ-LJQANCHMSA-N 432.590 5.092 30 10 IKEE Cc1ccsc1C(=O)Oc1ccc(C=CC(=O)c2cccc(Br)c2)cc1 2330994115 RMHFMROWRYOTIB-UHFFFAOYSA-N 427.319 5.934 30 10 IKEE CCOc1cc(C=Nn2c(SCc3cccc(F)c3)nnc2C2CCCC2)ccc1O 2331049650 ZMOHRTXAAKWPQJ-UHFFFAOYSA-N 440.544 5.354 30 10 IKEE Oc1ccc(Cl)cc1C=Nn1c(SCc2ccccc2F)nnc1-c1ccco1 2331208159 MSFXFUDLAWPJEF-UHFFFAOYSA-N 428.876 5.211 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC(=O)C1CCC1 2331250567 DVCHZRHNAOOQTF-UHFFFAOYSA-N 445.342 6.332 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)CCCSC 2331279033 ZOECQPNSEPWVQZ-UHFFFAOYSA-N 432.969 5.992 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)c1cccs1 2331279401 VATUPQFYLQKHHU-UHFFFAOYSA-N 426.921 6.224 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(OC)c(OC(=O)CC(C)(C)C)c(OC)c1 2331356093 MIXPEBXWSYUZGS-UHFFFAOYSA-N 426.509 5.259 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3)c(Cl)c2)cc1F 2331453783 JNZZMIOESKNJLR-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OC(=O)c1cccc(F)c1 2331480436 QVPZSCBFYJNNKW-UHFFFAOYSA-N 440.470 6.493 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)c1ccncc1 2331492997 JLJOCZYJVKWIKP-UHFFFAOYSA-N 431.488 5.338 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)c1cccc(F)c1 2331554821 YOXLMVPTNPQMEE-UHFFFAOYSA-N 446.808 5.881 30 10 IKEE C=CCSc1n[nH]c(=NC(=O)C(=Cc2ccc(OC(C)C)cc2)c2ccccc2)s1 2331660107 GVAZNESAKQZJRR-UHFFFAOYSA-N 437.590 5.205 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2C(C)C)cc1 2331675010 PXHDFVYWSHUZSU-UHFFFAOYSA-N 425.577 5.561 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3c(F)cccc3Cl)c(Cl)c2)cc1C 2331706328 CSUNQYHGJRCCEH-UHFFFAOYSA-N 443.301 6.865 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1[N+](=O)[O-] 2331706619 BQKIRFWELYCKLU-UHFFFAOYSA-N 445.471 5.264 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3)c(Br)c2)cc1C 2331706850 KAKYORSCUAGQSX-UHFFFAOYSA-N 435.317 6.181 30 10 IKEE CC1(C)[C@@H](CNc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN1Cc1ccccc1 2365103068 IXIJKKPXNKFLRX-HSZRJFAPSA-N 447.432 5.439 30 10 IKEE C=CCn1c(SCCOc2ccc(C)cc2)nc2scc(-c3ccccc3)c2c1=O 9041677 QJIXJHMJGADIAJ-UHFFFAOYSA-N 434.586 5.791 30 10 IKEE COc1ccc(/N=C(/C)c2c(-c3ccccc3)[nH]n(-c3nc4ccccc4s3)c2=O)cc1 9425475 LQDRZVCGGXNGSL-QQXSKIMKSA-N 440.528 5.592 30 10 IKEE CCOC(=O)c1sc(NC(=O)c2ccc(C#N)cc2)c(-c2nc3ccccc3s2)c1C 12463782 RUXWUQKJERTQGQ-UHFFFAOYSA-N 447.541 5.634 30 10 IKEE COc1ccc(COc2ccc(/C=N/Nc3nc(SCc4ccccc4C)n[nH]3)o2)cc1 20424641 PXDPGDZREJPFFZ-ZMOGYAJESA-N 449.536 5.032 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)/C=C\c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 33560909 GGQVKOBJGQNUHL-JBDIQEJZSA-N 440.455 5.086 30 10 IKEE COc1c(Br)cc(Br)cc1/C=N\Nc1nc2ccccc2s1 33920017 ANEHNMDAGHNGFH-LSCVHKIXSA-N 441.148 5.276 30 10 IKEE COc1cc(OC)cc(-c2nnc(SCc3ccccc3C#N)n2-c2ccccc2)c1 35847630 IIJBHMASTVHWHR-UHFFFAOYSA-N 428.517 5.115 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O)c1ccccc1 38321001 ZRUUECCBVGJRBC-YVNNLAQVSA-N 425.267 5.871 30 10 IKEE O=C1/C(=C/c2ccccc2Cl)Oc2cc(OCc3c(Cl)cccc3Cl)ccc21 39754058 NBMYSXUJGRAWAT-FBHDLOMBSA-N 431.702 6.842 30 10 IKEE C=CCN1C(=O)c2[nH]nc(-c3cc(Cl)c(C)cc3O)c2[C@H]1c1ccc(Cl)c(Cl)c1 39914497 WRTOPOBFUJJNTK-HXUWFJFHSA-N 448.737 5.782 30 10 IKEE C=CCc1ccc(OCCn2c(COc3ccccc3OC)nc3ccccc32)c(OC)c1 40233234 ZZRLNXGFIRLUGW-UHFFFAOYSA-N 444.531 5.440 30 10 IKEE O=C1/C(=C/c2c[nH]c3ccccc23)S/C(=N/c2cccnc2Cl)N1C1CCCCC1 40467124 FQMPIGWQSMFCQD-PDJGVXKSSA-N 436.968 6.153 30 10 IKEE O=C1CCCC2=C1[C@H](c1c[nH]c3ccccc13)n1nc(SCc3ccccc3)nc1N2 54643545 VGNXZIBDPJXBRV-QFIPXVFZSA-N 427.533 5.074 30 10 IKEE O=C1N/C(=N\c2ccc(Cl)c(Cl)c2)S/C1=C/c1cccn1-c1ccc(Cl)cc1 59302611 OYCIFFKFZVTZQS-WOJGMQOQSA-N 448.762 6.329 30 10 IKEE C=CC[C@@H](Sc1nnc(-c2ccc(Br)cc2)n1CC=C)c1ccccc1 72262889 VAPZVFXQYORGEF-LJQANCHMSA-N 426.383 6.303 30 10 IKEE COc1ccc(-c2cc(/C(C)=N/OCc3ccccc3)c(C)n2-c2ccccc2F)cc1 97632616 QFWABJHKGDWRCI-VUTHCHCSSA-N 428.507 6.541 30 10 IKEE CCCCCCCOc1ccc(NCC(=O)Nc2ccc(C(=O)NCCCC)cc2)cc1 100077663 IJXZNUVIDVMFGA-UHFFFAOYSA-N 439.600 5.616 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)N[C@H](C)CCCN(CC)CC 100444493 UQHMJYPQLXGPBB-JOCHJYFZSA-N 427.743 6.189 30 10 IKEE CCCCCCCC(=O)NN1C(=O)c2cc(Br)ccc2N[C@H]1c1ccccc1 101315759 RRCCHXOXMQMHFZ-OAQYLSRUSA-N 444.373 5.407 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2cccc(C)c2C)cc1 169924859 NAGQWWGXFCQCBR-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1F 169974864 MMGYJGUGRZGVEY-XMMPIXPASA-N 443.518 6.215 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccc(OC(C)C)c2)cc1C 169979647 SAWUMUTYBIKABI-VWLOTQADSA-N 441.527 5.874 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccs1 169982532 ILMZALBNNXMUFN-QFIPXVFZSA-N 433.529 5.152 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2cccs2)cc1C 169987955 VHUOPAOTJBOZTP-FQEVSTJZSA-N 441.455 5.126 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1ccc(F)cc1)c1c[nH]c2ccccc12 170064172 VVWNOENPKDUTQB-QFIPXVFZSA-N 448.400 5.368 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(C(C)C)cc2)ccc1F 170066641 LHRCQQZSYHBSLX-NFBKMPQASA-N 437.511 5.015 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(C(C)C)cc1 170067148 CEHNTEZUMOQISM-XMMPIXPASA-N 445.515 5.499 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@H]1c1ccco1)c1ccc2ccccc2c1 170092644 JYMVQRIYZGZUST-QFIPXVFZSA-N 447.849 6.008 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2sccc2C)c1 170105424 OQJLTXIALBXQII-HXUWFJFHSA-N 439.483 5.734 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2OC)ccc1Cl 170122321 PZZCRFNDFBKZLA-QFIPXVFZSA-N 449.890 5.140 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1cccs1)c1ccc2ccccc2c1 170155884 PPFBEIGWRHZMAX-JOCHJYFZSA-N 429.472 5.823 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccccn2)c1 170173437 HXIOTPMZHPYSOW-QFIPXVFZSA-N 448.906 5.307 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccnc2)ccc1Cl 170185507 LWVFRBRWHRMBEJ-QFIPXVFZSA-N 448.906 5.225 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc(OCC)c1 170218482 ZTLIKOQSVMAAHZ-VWLOTQADSA-N 443.543 6.007 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(F)cc1 170239793 OFLMFENEECQMMH-HSZRJFAPSA-N 445.490 5.542 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccc2F)cc1 170247923 XIOFUYAGRSKGOQ-HSZRJFAPSA-N 449.453 5.535 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccc1F 170249697 BOAGDYCYZCCOQX-RUZDIDTESA-N 437.470 6.070 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2cccc(O)c2)c1 170258411 NASWSAJHBIUUNR-XMMPIXPASA-N 443.499 5.271 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccco1 170283836 LQHFFQLNDVUAFW-OAQYLSRUSA-N 432.863 5.506 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccc(C)o2)cc1 170300066 KMOVQWMGYYIPAW-XMMPIXPASA-N 445.515 5.777 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)c1 170344465 FAXJKNPYWMZXJS-FQEVSTJZSA-N 438.405 5.192 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1F)c1cccs1 170381368 QUIPOYJLHQOELH-GOSISDBHSA-N 448.302 5.977 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(Cl)cc(Cl)c2)c1 170388509 JHHUPQPMVIYBTK-LJQANCHMSA-N 444.339 6.146 30 10 IKEE CCOc1cc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)ccc2C)ccc1OC 170440277 IEUWWTYHCUQGPF-QHCPKHFHSA-N 447.487 5.087 30 10 IKEE O=[N+]([O-])c1cccc(-c2ccc(C=NN=Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)o2)c1 254481790 MLPYVDXMRMVWOG-UHFFFAOYSA-N 430.376 5.476 30 10 IKEE COc1ccccc1N=CC1=C(c2cccs2)Oc2ccccc2[C@H]1c1ccc(C)cc1 254491053 CPPNJCAOVMBKSV-HHHXNRCGSA-N 437.564 7.403 30 10 IKEE CO[C@H]1C2=C3CC[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H](O)C[C@@]23O[C@@H]13 255200055 BJTPDQYXZBBHFO-MCNHYONISA-N 442.684 6.311 30 10 IKEE N#C[C@@H](Nc1ccc(Br)cc1)c1c(Br)cncc1Br 394539654 VITOQNKRXNEJPM-GFCCVEGCSA-N 445.940 5.046 30 10 IKEE N#Cc1ccccc1Oc1ccc(NC(=O)CCc2cc3ccccc3nc2O)cc1F 503557950 ZXCWAIRUBYYXBE-UHFFFAOYSA-N 427.435 5.315 30 10 IKEE COc1ccc(OC)c([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 526487943 HWBWFWAQXFKXGL-HSZRJFAPSA-N 446.890 5.286 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1ccc(OC(C)=O)cc1 526824214 QICDXHODYPARDV-KSEXSDGBSA-N 449.363 5.247 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)CCC3CCCCC3)C2)c1 586002683 RWMNYLYKXOIDDX-XMMPIXPASA-N 439.644 5.606 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2cc(Br)ccc2Cl)c1 698418194 LTOMRCIOZZAJJH-GOSISDBHSA-N 435.749 6.417 30 10 IKEE C=C1CC[C@@H](O)C/C1=C\[C@H](O)[C@]1(O)CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@H](C)/C=C\[C@H](C)C(C)C 1083806342 KXILCRGOVVVVRF-KNJUVKMTSA-N 430.673 5.807 30 10 IKEE C[C@H]1C/C(=N/c2ccc(F)cc2)c2cc(F)ccc2N1C(=O)c1cccc(C(F)(F)F)c1 1615946489 NJXNDPFUYSEFGK-VNCJJGDZSA-N 444.403 6.543 30 10 IKEE C=CCC1(NC(=O)CCSCc2nc(O)c3c4c(sc3n2)CCCC4)CCCCC1 1624190930 YTAKIDUIABTZJD-UHFFFAOYSA-N 445.654 5.294 30 10 IKEE CN1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2)SC1=Nc1cccnc1 1772730451 ADQSDFHWWSSKLD-FKSIKXIZSA-N 435.936 5.548 30 10 IKEE N#Cc1cccc(C(=O)Oc2cccc3c(NC(=O)c4ccc(F)c(F)c4)cccc23)c1 1858925260 DFQFNOQJFHHGMI-UHFFFAOYSA-N 428.394 5.461 30 10 IKEE C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1sc2c(c1C#N)CCCC2 1859478771 WSTLVVIZTUDHNL-SNVBAGLBSA-N 439.762 5.320 30 10 IKEE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)Nc1sc2c(c1C#N)CCCC2 1859759293 CSZDFPCWTDIVHA-UHFFFAOYSA-N 442.371 6.428 30 10 IKEE C[C@@H]1CCCC[C@H]1N(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(F)c1 1859946788 FZERCVDEACJGAC-BFUOFWGJSA-N 447.394 7.089 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccccc1Cl 1861015063 PEMAQOUIXUWNRQ-QFIPXVFZSA-N 432.967 5.297 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)Oc1ccccc1C(C)C 1861659726 UCWUOVCUWVBPLI-VWNXMTODSA-N 444.660 5.825 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)CCCOc1c(C)cccc1C 1861685264 ZYWLTJJDBKVCHF-MHZLTWQESA-N 446.676 6.004 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@H]2c2ccc(Br)cc2)cc1 1862399912 QVVCMMNKTSOZIE-FQEVSTJZSA-N 442.353 5.390 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1cccc(O)c1 1862411860 QKIFTWUDMHOVQO-JOCHJYFZSA-N 443.490 5.609 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(F)cc1F)c1cccc(Cl)c1 1862446501 UKHRWZBLKGUMSK-HXUWFJFHSA-N 431.866 5.529 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CC(C)C)cc1 1862451337 CHWLPUCNUWFNDX-QFIPXVFZSA-N 441.955 5.753 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(Br)c1 1862452906 MXTIEPUXVYUULC-SGTLLEGYSA-N 448.744 5.479 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCc2ccccc2)cc1 1862649043 PIDCTDMNKHZJHJ-MHZLTWQESA-N 447.534 5.969 30 10 IKEE N#Cc1ccccc1NC1=C(c2ccccc2Cl)C(=O)N(c2cccc(Cl)c2)C1=O 1863071542 SBVNFBTZHPTWDQ-UHFFFAOYSA-N 434.282 5.262 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccccc3F)C2=O)cc1 1863297715 XWJOVZDATMEBSK-QGZVFWFLSA-N 439.490 5.213 30 10 IKEE CC(C)(C)c1nc(Nc2ccc(C#N)cc2)cc(N2CCO[C@H](c3cccc(Cl)c3)C2)n1 1868355316 FSHVQUFFGBGJSY-NRFANRHFSA-N 447.970 5.621 30 10 IKEE Cc1nc(Nc2cccc(C#N)c2)cc(N2CC(C)(C)c3ccccc3[C@@H]2c2ccccc2)n1 1868466808 DQXWKVZQFOLKNF-NDEPHWFRSA-N 445.570 6.288 30 10 IKEE C=CCn1cc(OCc2ccc(C)cc2)c(=O)cc1CSCCc1nc2ccccc2[nH]1 1870217017 PUVSBNSIKRJUPE-UHFFFAOYSA-N 445.588 5.274 30 10 IKEE C=CCn1cc(OCC(=O)Nc2c(C)cccc2CC)c(=O)cc1CSc1ccccc1 1870250331 UTANJNVVQOWONX-UHFFFAOYSA-N 448.588 5.215 30 10 IKEE CCCCCCCOc1cn(CCCCCCO)c(CSc2ccc(C)cc2)cc1=O 1870260009 TYLDUVSEHVFAAE-UHFFFAOYSA-N 445.669 6.351 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(C(=O)OC)o2)c(=O)cc1CSC(C)C 1870295930 GNGHUZVATUDMHE-UHFFFAOYSA-N 449.613 5.809 30 10 IKEE C=CCn1cc(OCCOc2ccccc2)c(=O)cc1CNc1ccc(CCCC)cc1 1871046240 VPLKIADGTVECQR-UHFFFAOYSA-N 432.564 5.447 30 10 IKEE C=CCn1cc(OCc2c(Cl)cccc2Cl)c(=O)cc1CNc1ccccc1CC 1871049584 JVTBEJQYVWIOQA-UHFFFAOYSA-N 443.374 6.095 30 10 IKEE O=C1/C(=C/C=C/c2ccccc2)Oc2c1ccc1c2CN(CCCCc2ccccc2)CO1 1871354610 VUFOQKLYGDZXAV-IWYKELQASA-N 437.539 6.034 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)CCCOc4ccccc4)c3C)C2=O)cc1 1871371001 GLZOUPWKNOKTFT-ULJHMMPZSA-N 444.483 5.384 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(C)c(C)c4)ccc3C2=O)cc1 1871372203 FNAJTWGSCAJKDT-QQXSKIMKSA-N 441.527 5.985 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)cc1C 1871373022 XJNMJGNEIZHWEF-MYYYXRDXSA-N 426.512 6.436 30 10 IKEE CN(C)c1ccc(/C=C2\Oc3cc(OC(=O)c4cccc5ccccc45)ccc3C2=O)cc1 1871378095 UZJOUTYQUUFQAQ-QQXSKIMKSA-N 435.479 5.741 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc3C2=O)cc1 1871381476 WUGPRZHMDNYTFD-CFRMEGHHSA-N 448.902 6.064 30 10 IKEE CCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccco2)C3=O)cc1OC 1871383750 OBVOUMSKGWXRIW-WJVSXQMQSA-N 446.455 5.230 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc(OCc4cccc5ccccc45)c3C)C2=O)cc1 1871434947 WNHYTAPBPHECJC-PKAZHMFMSA-N 436.507 6.742 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4C(C)C)cc(C)c3C2=O)cc1 1871456248 USPACHVEJRUQCW-QFEZKATASA-N 441.527 6.061 30 10 IKEE C=CCN(CC=C)c1nc(=NCc2ccccc2F)nc(Nc2ccc(C(C)C)cc2)[nH]1 1871505637 IXQYMPVTTYSCHZ-UHFFFAOYSA-N 432.547 5.090 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)c(C)c1)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1871910779 MAPFKOCUVSNUTE-DVECYGJZSA-N 442.625 5.232 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3cc(Cl)ccc3Cl)n2)cc1 1872764549 PPSIQYXOYHWBIP-HNNXBMFYSA-N 433.316 5.381 30 10 IKEE Cc1ccc(C)c(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)c1 1872772560 PZVURYSLOZLTFI-YOEHRIQHSA-N 445.371 6.378 30 10 IKEE COc1ccc(Cl)cc1C(=O)[C@@H](C#N)c1nc(-c2cc(Cl)ccc2OC)cs1 1872788303 GIDFULQYHJKRHJ-OAHLLOKOSA-N 433.316 5.624 30 10 IKEE CCCCCCCCCCN1C[C@@H](C(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)CC1=O 1873002464 XOSUSBFWRSMQAY-IBGZPJMESA-N 441.591 5.181 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCc2ccccc2)=C(c2ccccc2)C1=O 1873154465 XQWUYJYLXQNMQY-UHFFFAOYSA-N 432.608 5.740 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2OCC(C)C)=C(c2cc(Cl)ccc2Cl)C1=O 1873390814 ZHWZCNFXFCOFKC-UHFFFAOYSA-N 445.346 5.406 30 10 IKEE CCCCCCCCCCNc1ncnc2c1ccc(=O)n2-c1ccc(C(C)(C)C)cc1 1873538605 QFXHYNVDMUUPAC-UHFFFAOYSA-N 434.628 6.631 30 10 IKEE C=CCn1c(C(=O)Nc2ccc3c(c2)OCO3)cc2c(N(CCCC)CCCC)ncnc21 1873662758 YRBNLHMPDUMTJU-UHFFFAOYSA-N 449.555 5.005 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)cc2C)cc2c(N3C[C@H](C)C[C@@H](C)C3)ncnc21 1873666781 WACIPIAPGFXLRK-HZPDHXFCSA-N 437.975 5.314 30 10 IKEE N#Cc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCCC3)C23CCCC3)cc1 1873867390 OXQKUYBPXQHFPU-XMMPIXPASA-N 427.548 5.382 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1c2ccccc2C(=O)N(CCCC)C12CCCC2 1873935741 XSGWMJHGAPNDIY-RUZDIDTESA-N 440.672 6.596 30 10 IKEE Cc1cccc(OCCCc2nnc(SCc3ccccc3)n2/N=C/c2ccccn2)c1 1874247301 WZPVPMHHXIKWLB-OVVQPSECSA-N 443.576 5.168 30 10 IKEE CCCSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1cccc2ccccc12 1874253852 OEUOXXQYNUXETF-ZXVVBBHZSA-N 444.604 6.136 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccc(F)cc1F 1874266593 DXFADURTDIJBNP-YSURURNPSA-N 434.899 5.339 30 10 IKEE Fc1ccccc1CSc1nnc(CCCOc2ccccc2)n1/N=C/c1ccco1 1874315666 DRJNNUXPUWOZKA-PCLIKHOPSA-N 436.512 5.196 30 10 IKEE CCSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1c(Cl)cccc1Cl 1874327156 ZMWGFMOWOYGECJ-FOKLQQMPSA-N 435.380 5.775 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccncc2)cc1C 1874356875 DBJDUUZQMQSUKB-JFLMPSFJSA-N 431.540 5.194 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2cccs2)n1/N=C/c1ccccc1O 1874368732 PVOXVVSJARJKJY-BUVRLJJBSA-N 434.590 5.313 30 10 IKEE CCSc1nnc(Cc2cccs2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874412351 DSDQSZRZPMHBPS-LFVJCYFKSA-N 434.590 5.504 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2-c2cccs2)cc1O 1874422860 IJMVOQMULDHEEF-SSDVNMTOSA-N 442.953 5.246 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3cccc(F)c3)nnc2-c2ccccc2)c1 1874426854 DORKPZQPTRYAKB-WPWMEQJKSA-N 446.551 6.048 30 10 IKEE CCCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1/N=C/c1ccc(Cl)cc1 1874505191 QBHLEPZIHICJPZ-ZMOGYAJESA-N 441.988 5.114 30 10 IKEE COCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(C(C)(C)C)cc1 1874505492 KGRQNMAYGWVTFG-BRJLIKDPSA-N 446.979 5.689 30 10 IKEE CCOc1c(/C=N/n2c(SCc3ccccc3F)nnc2C(C)C)cccc1OC 1874513880 UUYOVVBINKNTDI-ZMOGYAJESA-N 428.533 5.122 30 10 IKEE Sc1nnc([C@@H]2CCCO2)n1/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 1874560381 VADAALRDBZCXNX-RIDKEVFESA-N 449.363 5.186 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc3ccccc3c2)c1OCc1ccc([N+](=O)[O-])cc1 1874572124 XEDCWIGIVQETBC-DTQAZKPQSA-N 439.467 6.232 30 10 IKEE COc1cccc(C(=O)/C=C/c2cccc(OC)c2OCc2ccc(Cl)cc2Cl)c1 1874572254 DEMPPYSNTBWCCK-ZRDIBKRKSA-N 443.326 6.486 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2c(F)cccc2Cl)cc1 1874572845 IQWTYLKVWJFTEB-ZRDIBKRKSA-N 429.318 7.170 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(Cl)cc2)c1OCc1ccc(C)cc1 1874578541 SNIDESGPJNDEHO-FMIVXFBMSA-N 427.327 6.786 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccccc1OCC(=O)Nc1ccccc1 1874584620 XNLUQJYBDYBWDK-JQIJEIRASA-N 443.543 5.906 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC)c(OCCO)c2Br)cc1 1874593635 UCWKGGODZZQKCQ-ZRDIBKRKSA-N 433.342 5.068 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OCCc3ccccc3)c([N+](=O)[O-])c2)c1 1874619188 NUSVEXCCTJAVMW-DHZHZOJOSA-N 433.460 5.130 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OCc1ccccc1F 1874621990 GKVFJHUHEJRWDW-XNTDXEJSSA-N 448.534 6.616 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1cccc2ccccc12 1874623802 WCQKLJWTUSZTOT-RVDMUPIBSA-N 433.334 7.622 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)cc1C 1874636658 LQVHKUSKAZJFMN-JLHYYAGUSA-N 443.543 5.842 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccccc2Cl)c1)c1cc(Cl)ccc1Cl 1874718516 JCXJOAFLPVJLNH-DHZHZOJOSA-N 431.702 6.762 30 10 IKEE CCCCCCCCC(=O)N1[C@H](C)CSc2nnc(COc3ccc(C)c(C)c3)n21 1875029054 PGYZTFPAUIFZNW-LJQANCHMSA-N 430.618 5.183 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)CCc3ccccc3)c(OC)c2)cc1 1875103830 RGWDOLQAPZPLBT-RVDMUPIBSA-N 448.946 6.345 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)C(C)C)c(OC)c2)cc1OCCC 1875123491 PBFLHHIALZCZEF-DHZHZOJOSA-N 440.536 5.730 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC(=O)CSc1ccccc1 1875123781 DUSQVJUJRHFGRZ-YRNVUSSQSA-N 440.467 5.567 30 10 IKEE O=C(CC12CC3CC(CC(C3)C1)C2)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1[N+](=O)[O-] 1875127340 ZPRIHYSSHWGUFH-SOFGYWHQSA-N 445.515 6.003 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3cccnc3)c(OC)c2)cc1 1875128994 FYQYRSRUUGLDIF-IZZDOVSWSA-N 437.879 5.258 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)cc2)c(C)c1 1875131283 PICGDNFCAABVCC-RIYZIHGNSA-N 444.487 5.393 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)c(C)c3)c(OC)c2)cc1 1875131287 PNSZOGNXFBLOBG-AWNIVKPZSA-N 448.490 5.586 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1cccc(C)c1 1875136377 LTRMGWJFAMGZFD-NTCAYCPXSA-N 426.512 6.156 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc4c(c3)OCO4)c(Cl)c2)cc1 1875156027 YZRSCCBVOYWBCQ-XCVCLJGOSA-N 448.902 6.307 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2OCC)cc1 1875158826 OVWNFHCUAQKFIX-PJQLUOCWSA-N 434.463 5.738 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)c1ccccc1F 1875175251 GMPCLDCBBQEEBA-ZRDIBKRKSA-N 434.463 5.575 30 10 IKEE CC#CC[C@H](NCCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875661454 OBYSQLGPZRWXFP-LITSAYRRSA-N 443.587 5.660 30 10 IKEE CCCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1sc(Cl)cc1I 1889589473 QSKQMHPFMQILSQ-JTQLQIEISA-N 440.734 5.218 30 10 IKEE C=C(COCc1ccccc1)[C@H](O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 1922068075 GJSVSNIVPOVTMX-FQEVSTJZSA-N 448.357 5.603 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)C12CCC(NC(=O)OC(C)(C)C)(CC1)CC2 1922126320 STEBDDFANDGXOO-IKJWCUOUSA-N 428.617 5.355 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1ccc(Cl)s1 1942299577 BJIYVRXISOCLSO-ZDUSSCGKSA-N 427.751 6.170 30 10 IKEE CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCC1 1944820497 MVDWIELPVFOBTQ-KOSHJBKYSA-N 435.609 5.341 30 10 IKEE CCCCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C(=O)O)C1CC1 1979596531 UFBCMAASQPMPKZ-UIOOFZCWSA-N 449.591 6.365 30 10 IKEE CC(C)[C@H]1CC=C(C(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)CC1 2010745377 ZSDDIGBUBYRTEA-HFZDXXHNSA-N 426.601 5.107 30 10 IKEE CCCCC#CC[C@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2024371775 VMVJYTCEFPOBBN-XWGVYQGASA-N 430.633 5.437 30 10 IKEE CCCCCCC[C@H](C)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1 2025244951 KCVQHCYTSFNCBT-LADGPHEKSA-N 431.665 5.447 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@](C)(C#N)N(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)cc1 2027949815 WOFZNVHYGWGZEM-CYFREDJKSA-N 445.560 5.188 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2031496985 JALNCWOVEBKYTA-CJFMBICVSA-N 449.636 6.066 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@H]1CCCCN1C(=O)OC(C)(C)C 2032406646 UGVVJCSGDIVSQJ-HKUYNNGSSA-N 445.560 5.118 30 10 IKEE N#Cc1c(C=Cc2ccc3c(c2)OCO3)cc(-c2ccc(Cl)cc2)n2c1nc1ccccc12 2042456119 QXBPFXXRLCVZJL-UHFFFAOYSA-N 449.897 6.579 30 10 IKEE CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(CC=Cc2ccccc2)CC1 2053466589 NYPBGSUNIGYVQK-UHFFFAOYSA-N 435.575 5.065 30 10 IKEE Cc1ccc(C23C[C@H]4C[C@@H](CC(CN=Cc5cc(Cl)cc([N+](=O)[O-])c5O)(C4)C2)C3)cc1 2053508605 BGYUSPNZSOOALK-RIZNVZOMSA-N 438.955 6.219 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@H](C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2077947525 IRYCRMDZBOUDHE-PMACEKPBSA-N 449.636 5.874 30 10 IKEE CCc1ccc([C@@H](CC)n2nc(C3CCC3)c(/C=N/O)c2I)cc1 2079089722 TUGAHZQUEVAOJB-KKJJZKEWSA-N 437.325 5.125 30 10 IKEE Fc1cc(Cn2nc(Cl)c(Br)c2C(F)(F)F)cc(C(F)(F)F)c1 2079214964 TYBWASSIFIVIBW-UHFFFAOYSA-N 425.529 5.524 30 10 IKEE CCc1nn([C@H](c2ccc(C(C)C)cc2)C(C)(C)C)c(I)c1C#N 2079902439 BSEJCVSVGRFPNM-GOSISDBHSA-N 435.353 5.681 30 10 IKEE CC(C)[C@H](c1ccc(C(F)(F)F)cc1)n1nc(C(C)(C)C)c(C=NO)c1Br 2079908035 NTXVLFVYEQOJKR-OAHLLOKOSA-N 446.311 6.015 30 10 IKEE CC(C)Oc1ccc([C@H](n2nc(C3CCC3)c(C#N)c2Br)C(C)(C)C)cc1 2080125322 FHHHVEFUUBWCPN-FQEVSTJZSA-N 430.390 6.207 30 10 IKEE Fc1c(F)c(F)c(-c2c(C(F)(F)F)nn3c(Cl)c4c(nc23)CCC4)c(F)c1F 2081264131 JNPAVDHARXHVCN-UHFFFAOYSA-N 427.682 5.253 30 10 IKEE CC1(C)OB(c2cc(F)ccc2CN(Cc2ccccc2)CC2CCCCC2)OC1(C)C 2095822381 YVDBQYNIBXFXRO-UHFFFAOYSA-N 437.408 5.707 30 10 IKEE C=CCC[C@@H](C)[C@@H](NCCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2102110313 FHTVOJXLENYNBN-DNVCBOLYSA-N 425.411 6.439 30 10 IKEE CC(C)[C@@H]1CC=C(C(=O)c2cc(I)ccc2Br)CC1 2125181913 XSXTWVUNELWTAG-LLVKDONJSA-N 433.127 5.619 30 10 IKEE C=CCCCCC[C@@H](NCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134730679 QMPCQZZLKRQKCH-MUUNZHRXSA-N 443.631 7.632 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCCCCCC1(F)F 2152778348 MLNMMSWMLXMKBV-IBGZPJMESA-N 443.332 6.442 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)cc(Br)cc1F 2159124590 IUHDRTZKIRKLKO-WMZOPIPTSA-N 445.348 5.075 30 10 IKEE CCN(c1ccc(C#N)c(Br)c1)[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 2174808744 RJGZNYNEKAJBJU-VQIMIIECSA-N 436.394 5.231 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)C[C@H](NC(=O)OC(C)(C)C)C(C)C 2235736475 YHQQUKYTXATTEG-ICSRJNTNSA-N 437.422 5.108 30 10 IKEE C=CCCC[C@@H](NCCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237410282 VYGSANFDGKATPZ-UXHICEINSA-N 439.438 5.609 30 10 IKEE CCCC#CC[C@H](NCCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248459110 UGQQRESDDVPHKF-QHCPKHFHSA-N 428.617 5.002 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)[C@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2249564904 XIHYKEVXVKVXHA-PFWHTEFJSA-N 433.593 5.095 30 10 IKEE CC#CC[C@H](OCCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2262854757 AQDBXKMFVSQGCJ-SANMLTNESA-N 429.560 5.665 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(F)c(C(=O)N(Cc2ccccc2)[C@H](C)C(C)C)c1 2267533666 WEWLLRYRPYZTEJ-LJQANCHMSA-N 439.380 5.120 30 10 IKEE Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccccc3)[C@@H]2c2ccc(Br)cc2)cc1 2296318992 XPVJOZGNWYXKME-NRFANRHFSA-N 448.316 5.384 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(OCc4ccc(OC)cc4)c3C)C2=O)c2ccccc21 2296871273 IXJXRKKPKRRWBK-UHFFFAOYSA-N 439.511 6.173 30 10 IKEE CCN(CC)CCN1C(=O)C(=O)C(=C(O)c2ccc(C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 2296932791 MPXDNGCESKKRIU-XMMPIXPASA-N 448.607 5.056 30 10 IKEE C=CCN1C(=O)C(=C2Sc3ccc(Cl)cc3N2C)SC1=Nc1ccc(Cl)cc1 2297452587 RPXZXDKQLMGGMG-UHFFFAOYSA-N 448.400 6.154 30 10 IKEE CCN1C(=CC=C2CCC(=C3Sc4ccccc4N3CC)C2=O)Sc2ccccc21 2297612463 IKXDZJWYHLIPJC-UHFFFAOYSA-N 432.614 6.593 30 10 IKEE COc1ccc(C=C2SC(=Nc3ccccc3)N(C3CCCCC3)C2=O)c2ccccc12 2297616884 DIRWEOIETCYYAY-UHFFFAOYSA-N 442.584 6.785 30 10 IKEE COc1ccc2c(c1)OC(=Cc1ccc(OC(=O)c3ccccc3Cl)c(OC)c1)C2=O 2314527148 HBRWTTUEVAQFOD-UHFFFAOYSA-N 436.847 5.193 30 10 IKEE COc1ccccc1C=C1SC(=Nc2cccnc2Cl)N(C2CCCCC2)C1=O 2314540158 KDQPMZCJQVLQET-UHFFFAOYSA-N 427.957 5.680 30 10 IKEE O=C1C(=Cc2ccc(Br)cc2)SC(=Nc2ccccn2)N1c1ccccc1 2314541547 NSJOBJDSVPAHJP-UHFFFAOYSA-N 436.334 5.653 30 10 IKEE COC(=O)c1ccc(C=C2SC(=Nc3ccncc3Cl)N(c3ccccc3)C2=O)cc1 2314541925 DZOZJSHRUJCEFD-UHFFFAOYSA-N 449.919 5.330 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 2319204210 NOIGHAQGTHFNJY-SVFBPWRDSA-N 443.588 5.712 30 10 IKEE C=CCSc1nncn1N=Cc1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 2321299377 NDGHDECTGSBHDN-UHFFFAOYSA-N 449.363 5.333 30 10 IKEE CCOc1ccccc1C=C1Oc2c(cc3c(c2C)OCN(C2CCCCCCC2)C3)C1=O 2322415258 WUHCCXMNSDXRHZ-UHFFFAOYSA-N 447.575 6.275 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)c4ccc(OC)c(OC)c4)cc(C)c3C2=O)cc1 2322748455 ACECRROQZWZCAK-UHFFFAOYSA-N 444.483 5.410 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)COc3ccc(Cl)cc3)cc(C)c2C1=O 2323536259 CSFUTNPNKXJDAO-UHFFFAOYSA-N 434.875 5.557 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3C)c([N+](=O)[O-])c2)cc1 2323540777 USLIZCAKEQSNHL-UHFFFAOYSA-N 429.516 6.721 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(C)c2)C3=O)cc1 2323628015 BMUKZUHYQNNLEY-UHFFFAOYSA-N 428.440 5.064 30 10 IKEE COc1cc(C=NNc2nc(-c3ccc(C)cc3C)cs2)cc(Br)c1OC 2323840590 VXKZEQNGRPPUJU-UHFFFAOYSA-N 446.370 5.653 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Cl)c1OCc1ccccc1 2324244947 BMQYZZRDSNKJQS-UHFFFAOYSA-N 428.862 6.492 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccccc2)C3=O)c(C)c1 2324494558 BNABSEWKWCJHJY-LJQANCHMSA-N 427.500 5.634 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O 2325493134 NWDJCCGQJYOQFL-UHFFFAOYSA-N 425.484 5.493 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccc(N(CC)CC)cc1 2325555980 LNMPNRCBURHODS-UHFFFAOYSA-N 435.641 5.868 30 10 IKEE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2cccc(C=CC(=O)c3cccc(Cl)c3)c2)cc1 2325728508 MQNGKSCZQQVATH-IBGZPJMESA-N 448.946 6.732 30 10 IKEE Cc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(Cl)c(Cl)c3)c2)cc1C 2325737000 HESYJHUFHILHSU-UHFFFAOYSA-N 439.338 6.654 30 10 IKEE COc1ccc(C(=O)Oc2cccc(C=CC(=O)c3cc(C)c(Cl)cc3OC)c2)cc1 2325763376 OITYAHFCZRCJEK-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OC(=O)CCc1ccccc1C 2325764424 QTOAWGFNCQOFSR-UHFFFAOYSA-N 442.555 6.363 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccccn1 2328552517 UKFPOAPHJLTHBC-UHFFFAOYSA-N 447.539 5.183 30 10 IKEE C=CCSc1nnc(COc2c(C)cccc2C)n1N=Cc1ccc(Cl)cc1Cl 2328559463 JTGCTAAFVMBBLF-UHFFFAOYSA-N 447.391 5.941 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc(OC)c2)n1N=Cc1ccc(OCC)cc1 2328636457 JGSDYKYZXARELO-UHFFFAOYSA-N 436.581 5.021 30 10 IKEE Cc1cccc(OCc2nnc(SCc3ccccc3F)n2N=Cc2ccc[nH]2)c1C 2328847724 ZQVVXEQJIWKTRH-UHFFFAOYSA-N 435.528 5.116 30 10 IKEE CCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc(Cl)cc1Cl 2329097225 IBIXQRKVNHMSNL-UHFFFAOYSA-N 425.772 5.823 30 10 IKEE C=CCc1ccccc1OC1CN(C(=O)C(=Cc2ccc(OC)cc2)c2ccccc2)C1 2330639922 WQFYVWYFSZYANK-UHFFFAOYSA-N 425.528 5.254 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(Cl)cc2)c(Cl)c1)c1ccc2ccccc2c1 2330659011 FLSDIXHDZHFFMY-UHFFFAOYSA-N 447.317 7.262 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2)n1N=Cc1cccc(OCc2ccccc2)c1 2330669748 QWNOAPYXZXBQCV-UHFFFAOYSA-N 440.572 6.075 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3ccccc3F)nnc2-c2ccccc2)c1 2330672227 OTDYPVGIRPJCDZ-UHFFFAOYSA-N 432.524 5.657 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CC(C)(C)C)nnc1SCc1ccccc1C 2330808799 OLHRPJHVDHVLHI-UHFFFAOYSA-N 434.609 5.914 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)(C)C)n2N=Cc2cccc([N+](=O)[O-])c2)c1 2330845706 SVHVXNAJZRTNFC-UHFFFAOYSA-N 437.569 5.566 30 10 IKEE Cc1ccc(O)c(C=Nn2c(CC(C)(C)C)nnc2SCc2cccc(Cl)c2)c1 2330873396 NPOYURZDKNBTRG-UHFFFAOYSA-N 428.989 5.709 30 10 IKEE Fc1ccc(CSc2nnc([C@@H]3CCCO3)n2N=Cc2cccc3ccccc23)cc1 2330910393 WWKKSSSJJHKZKW-QFIPXVFZSA-N 432.524 5.596 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)ccc1OC(=O)Cc1ccccc1OC 2330977059 RCEAXRRBWFYHTQ-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE O=C(CCCOc1ccccc1)Oc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2331018117 WPDUXXBLSRBXLA-UHFFFAOYSA-N 431.444 5.256 30 10 IKEE CCc1ccc(C=Nn2c(SCC(=O)Nc3cccc(C)c3)nnc2C2CCCC2)cc1 2331040570 GVBNITGIWJLITG-UHFFFAOYSA-N 447.608 5.420 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3cccc(Cl)c3)cc2Cl)cc1 2331122888 YUDBWFYRWHYYHK-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)[C@H]1CCCO1 2331150026 VZUWDHPLZGCSFK-LJQANCHMSA-N 435.303 5.373 30 10 IKEE COc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2-c2ccco2)cc1 2331232406 HJOOLXCQZPVSLA-UHFFFAOYSA-N 442.903 5.514 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc2c(c1)OCO2 2331282245 VHULANXPYSCUJM-UHFFFAOYSA-N 430.456 5.238 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(C)c3)cc2OCC)cc1 2331344566 WSJDWWCRJDUZNR-UHFFFAOYSA-N 448.490 6.047 30 10 IKEE COc1ccccc1C=Nn1c(SCc2cccc3ccccc23)nnc1C(C)(C)C 2331402864 ZTJYPNHKDPSCMV-UHFFFAOYSA-N 430.577 5.912 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CC3CCCCC3)c([N+](=O)[O-])c2)cc1F 2331456537 APLLFYUAJXGLIF-UHFFFAOYSA-N 441.455 5.514 30 10 IKEE Cc1cccc(C=Nn2c(CC(C)C)nnc2SCc2ccc(Cl)c(Cl)c2)c1 2331470729 GLSNXCWYOAREOK-UHFFFAOYSA-N 433.408 6.266 30 10 IKEE O=[N+]([O-])c1ccccc1C=Nn1c(SCc2ccccc2Cl)nnc1C1CCC1 2331527606 KDDQBIYBPDLJOJ-UHFFFAOYSA-N 427.917 5.282 30 10 IKEE Fc1ccccc1C=Nn1c(SCc2c(Cl)cccc2Cl)nnc1C1CCC1 2331533341 LPOYSLGUDMNQBQ-UHFFFAOYSA-N 435.355 6.166 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)C(F)(F)F 2331562750 XAJXKSIHWTWAJV-UHFFFAOYSA-N 434.744 5.381 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(COC)nnc2SCc2ccc(Cl)cc2)cc1 2331595483 UXOZNZTYFXWJJB-UHFFFAOYSA-N 444.004 5.099 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3F)c([N+](=O)[O-])c2)c(C)c1C 2331618268 DCMIOPZGIBTEJC-UHFFFAOYSA-N 449.434 5.475 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1ccccc1F 2331657622 JHINZRNHJKCEHR-UHFFFAOYSA-N 432.491 6.183 30 10 IKEE COc1cc(C=Nn2c(SCc3cccc(C)c3)nnc2C(C)C)ccc1OC(C)C 2331685609 UFCUGZLMOYBGPA-UHFFFAOYSA-N 438.597 5.680 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)C(C)(C)C)c(OCC)c2)c(OCC)c1 2331736600 MAIIVMFCVLERSF-UHFFFAOYSA-N 440.536 5.730 30 10 IKEE Cc1cc(C)c(C#N)c(Sc2cc(I)ccc2Br)n1 2338300862 LISCPYQNXKVZQT-UHFFFAOYSA-N 445.123 5.088 30 10 IKEE C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H](C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339578223 DOQOEEQMCWXNJR-CONOYDDESA-N 446.397 5.044 30 10 IKEE CCSC1=N/C(=C/c2cc(Br)ccc2OCc2ccccc2)C(=O)S1 2834983 VQLDWEOTGXGYEB-LFIBNONCSA-N 434.380 5.752 30 10 IKEE Oc1c(F)cccc1/C=N/c1ccc(Oc2ccc(/N=C/c3cccc(F)c3O)cc2)cc1 3087072 QFSKVYNRQCMLKO-CMNXJCJSSA-N 444.437 6.670 30 10 IKEE COc1cc(N/C=C\C(=O)c2ccc3noc(-c4cccc(OC)c4)c3c2)cc(OC)c1 8763325 WTMKUWNWHRAHJS-KTKRTIGZSA-N 430.460 5.329 30 10 IKEE COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(Cl)ccc2O)cc1 21256343 DJUMLIDDNWNZOB-QMTYFTJSSA-N 446.934 6.034 30 10 IKEE COc1cc([C@H]2c3sc(O)nc3SC[C@@H]2C=O)ccc1OCc1ccccc1Cl 35531271 UOSQZMZRVCQEBD-KBXCAEBGSA-N 447.965 5.142 30 10 IKEE Cc1cc(OCc2ccc([N+](=O)[O-])cc2)cc2c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O2 41501681 UCAZYEYHQWPXJP-OYKKKHCWSA-N 443.499 6.396 30 10 IKEE Cc1ccc(-n2nc(C)c(/C=N/N=C(\O)C(F)(F)C(F)(F)C(F)(F)F)c2C)c(C)c1 59148855 JSMYWDNTWJONNU-MWRNPHMMSA-N 438.347 5.229 30 10 IKEE CCCCCCCCCCCCCCCCCCOC(=S)N[C@@H]1C=CS(=O)(=O)C1 59568239 QYVZTMJEJPVCBD-JOCHJYFZSA-N 445.735 6.450 30 10 IKEE CCCCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N/c1ccc(C)cc1C 100175680 HHGWGMCWHDRVFN-DIQLGICBSA-N 437.634 6.468 30 10 IKEE CCCCCCCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccc(OC)c1 101286280 YFKFCZWLMGYMRR-RUZDIDTESA-N 447.579 6.238 30 10 IKEE CCCCCCCCn1c([C@H]2CC(=O)N(Cc3ccc(OC)cc3)C2)nc2ccccc21 101906200 XDGQFJZSVAVAFG-QFIPXVFZSA-N 433.596 5.922 30 10 IKEE CCCCCCCCCCCn1c([C@@H](C)NC(=O)/C=C\c2ccccc2)nc2ccccc21 102124390 LPLKXXNDHDZZDD-GFXIQCROSA-N 445.651 7.458 30 10 IKEE CCCCCCCCCCCn1c(CCNC(=O)Cc2ccccc2C)nc2ccccc21 102142901 FPYUFDCNMPUURU-UHFFFAOYSA-N 447.667 6.777 30 10 IKEE CCCCCCCCC(=O)Nc1cccc([C@H]2NC(=O)N(CCC)C(C)=C2C(=O)OC)c1 102996717 GOUUSDDDVPVJFL-HSZRJFAPSA-N 443.588 5.299 30 10 IKEE COc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cn(C)c4ccccc24)C3=O)c1 103024555 ATICBBYZAXWNOL-OYKKKHCWSA-N 439.467 5.331 30 10 IKEE CCCCCCCCS(=O)(=O)N/N=C\c1ccc(OCc2ccc(Cl)cc2)cc1 103602404 SYUOSPPTWRIEBK-ULJHMMPZSA-N 437.005 5.533 30 10 IKEE CCCCCCCCSc1nc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@H]4C3=O)cc2s1 138166194 RBYDFXAPMDTYEB-LPTDTENNSA-N 440.634 6.060 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\Nc2cn[nH]c(=O)c2Cl)cc1Cl 169887391 XAOKWVRETPOBQX-QRVIBDJDSA-N 425.360 5.652 30 10 IKEE CCCN1C(=S)N[C@@H](c2ccccc2OCc2ccc(Cl)cc2)C2=C1CCCC2=O 169930180 NXDDNPMALNKLNH-QHCPKHFHSA-N 440.996 5.567 30 10 IKEE CCOc1cc(/C=N\NC(=S)NC2CCCCC2)ccc1OCc1cc(C)ccc1C 169941419 BOTTWDUETRJDJP-QQXSKIMKSA-N 439.625 5.412 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1cccc(C)c1C 169944224 ZPSBZAAEBFQBOY-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccc(O)cc2)c1 169959041 WAOGWRWLDNEICA-SANMLTNESA-N 449.506 5.945 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(OC(C)C)cc2)c1 169977485 WKDYCKHQXXVGJF-DEOSSOPVSA-N 443.499 5.265 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1cccs1 169987896 VPTPYNKIGXOWHE-FQEVSTJZSA-N 441.455 5.126 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@H]2c2ccccn2)c1 169996749 UPLOWXQPVOPNBS-QFIPXVFZSA-N 448.906 5.225 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2cccnc2)cc1 170003394 LXODDXZVHKFHKK-JOCHJYFZSA-N 446.934 5.815 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2ccccc2)cc1C 170052064 KXQBLDLWSRTZEC-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1ccccc1)c1ccc(Cl)cc1 170055245 IHKMEPZJFJWYGJ-QFIPXVFZSA-N 435.882 5.300 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(C)cc2C)=C(N2CCc3ccccc32)C1=O 170095027 JGJVCKNGSNQOAS-UHFFFAOYSA-N 430.592 5.807 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(CC)cc3)[C@H]2c2ccc(C)o2)c1 170099515 WPOXJBQZYXXANH-HSZRJFAPSA-N 431.488 5.332 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccc(C(C)(C)C)cc1 170149708 UQEBPOUZTANTAR-QHCPKHFHSA-N 430.548 5.844 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2ccc(C(C)(C)C)cc2)c1 170150029 BKLPMWBMSUCPBM-QHCPKHFHSA-N 435.564 5.761 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1cccs1 170165756 RYUHRBYRHUBECM-JOCHJYFZSA-N 441.593 5.860 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccccn2)c1 170170079 MMGUIMGGYQICTQ-XMMPIXPASA-N 442.515 5.270 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1ccccn1)c1ccc2ccccc2c1 170177060 HVLLDXBFALWQEW-HSZRJFAPSA-N 442.421 5.296 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1cccnc1)c1cc2cc(Cl)ccc2o1 170188300 BXTVARNASGYGKK-NRFANRHFSA-N 430.847 5.264 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccncc2)c(C)c1 170205639 QHTRVSAYLSLXQN-RUZDIDTESA-N 434.495 5.635 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccccc2)cc1 170224370 ORTWUTNVUGITAI-RUZDIDTESA-N 441.527 5.819 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@H]1c1c[nH]c2ccccc12 170255566 ZJJPDZAFBZYVGQ-OAQYLSRUSA-N 438.911 5.208 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccc(C)o2)c1 170301646 LXZHYIXAPHQMBT-HSZRJFAPSA-N 447.487 5.005 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(Cl)cc2)o1 170303164 OGRQEVQLQAYGNV-IBGZPJMESA-N 428.271 5.678 30 10 IKEE CC1(C)OB([C@H]2C=CC=C[C@@]2(/C=C\c2ccccc2)B2OC(C)(C)C(C)(C)O2)OC1(C)C 221264769 JIVNRTMPQKZINX-CUVYEJEVSA-N 434.194 6.121 30 10 IKEE CCCCNC(=O)CSc1nc2ccc(N=Cc3c(O)ccc4ccccc34)cc2s1 252608355 HJSUGTMSMSAVIU-UHFFFAOYSA-N 449.601 5.914 30 10 IKEE CCc1ccc2oc(-c3cc(N=Cc4cc(Cc5ccccc5)ccc4O)ccc3O)nc2c1 252610852 IERBRKBZSYRANR-UHFFFAOYSA-N 448.522 6.810 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=Nc1ccc(OC)cc1 254583741 SWMOBNPBOILOTF-FUSVKQJLSA-N 449.488 5.487 30 10 IKEE CCCCCCCCC/C=C\COC(=O)/C=C\c1ccc(C=Nc2ccc(O)cc2)cc1 254870093 WPGZQBUUIIGDTG-NTWWPSNLSA-N 433.592 7.396 30 10 IKEE C=C(CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O)[C@H](C)[C@@H]1CC3)C(C)C 257484577 MMNYKQIDRZNIKT-WTNJYQGSSA-N 426.729 8.335 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Br)ccc1C)NCCC 407716377 SVPXJLDKQBVOQK-WOJBJXKFSA-N 439.438 5.528 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(Nc3cccc(C#N)c3)=C(Sc3ccccc3)C2=O)c1 526657397 RDWFPYOPMWJKFB-UHFFFAOYSA-N 425.513 5.164 30 10 IKEE CC(C)(C)c1cc(/C=N\n2cnnc2SCc2ccccc2F)cc(C(C)(C)C)c1O 526803093 UBORUGSFNDPPJM-WKIKZPBSSA-N 440.588 5.892 30 10 IKEE CCc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2cccc(Cl)c2)cc1 526812728 JJHZTUMAMSFZLC-PKAZHMFMSA-N 447.007 6.259 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1ccc(N(C)C)cc1 526814201 HHRQRASOPOABMV-FMCGGJTJSA-N 434.396 5.388 30 10 IKEE CCN(CC)c1ccc(/C=N\n2c(C)nnc2SCc2c(F)cccc2Cl)cc1 526817668 UGTPWEDGEBFYTL-CFRMEGHHSA-N 431.968 5.400 30 10 IKEE COc1ccc(Br)c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)c1 698852667 RNCHXLQUNRFFKJ-GOSISDBHSA-N 435.293 5.603 30 10 IKEE CSc1nc(O)c(C(=O)Nc2ccc(Nc3ccc(F)cc3)c3ccncc23)cc1C#N 741284207 JFQNYDZJHGRDRZ-UHFFFAOYSA-N 445.479 5.064 30 10 IKEE Cc1ccc(S(=O)(=O)Oc2ccccc2C=NN(c2ccccc2)c2ccccc2)cc1 1084363479 DBOORWKFQGTNEC-UHFFFAOYSA-N 442.540 5.935 30 10 IKEE O=c1c2c3c(sc2ncn1N=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)CCCC3 1084443154 FDUQKDOACRMIRU-UHFFFAOYSA-N 444.343 5.786 30 10 IKEE CC1(C)[C@H](/C=C(/Cl)C(F)(F)F)[C@@H]1C(=O)/C=C/c1ccc(OC(F)(F)C(F)F)cc1 1616046855 RAEFVZKWZMVWIK-MBDDEKNSSA-N 444.774 6.463 30 10 IKEE Cc1nc(C#N)c(NN=Cc2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)o1 1772721945 JMZIIESHCDVYDF-UHFFFAOYSA-N 440.507 5.249 30 10 IKEE CC(C)(C)c1csc(NC(=O)c2ccccc2-c2cccc(C(F)(F)F)c2)c1C#N 1859872993 JWFBIQBKLFQADT-UHFFFAOYSA-N 428.479 6.855 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)Nc1ccc(C(=O)Nc2ccccc2C#N)cc1 1860889569 SMMUZHYFHWKQGO-UHFFFAOYSA-N 440.286 5.378 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)CCCOc1ccc(OC)cc1 1861718690 OOWDTSNWRPAJAM-HSZRJFAPSA-N 434.621 5.006 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2cc(C)ccc2OC)n(Cc2cc(C)ccc2C)n1 1862350592 MASCWUGNGPRYCN-UHFFFAOYSA-N 429.564 5.346 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2ccc(N(C)C)cc2)cc1 1862394150 CIDJFEJHEZTUNU-UUOWRZLLSA-N 434.580 5.472 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc(OCc2ccccc2)c1 1862440515 MLVNJOGKLBRYBV-HSZRJFAPSA-N 447.918 5.517 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccccc2F)c1 1862444029 WIHKASCNEDRPIT-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(CC)cc1 1862458258 JORFJNYSCQZMQZ-NRFANRHFSA-N 431.454 5.435 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc(F)cc2F)c1 1862491366 RBXXKUCCTOAMFS-VZPUWSDOSA-N 439.502 5.739 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(C)cc1 1862523479 IPDICDYVLBERKR-LJQANCHMSA-N 428.326 5.136 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2cc(Cl)cc(Cl)c2)cc1 1862538007 HRQNBRBPFGFREF-HXUWFJFHSA-N 448.346 5.171 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CCOC(C)C)cc1 1862580813 SHYJSHLXMQTSQH-HXUWFJFHSA-N 448.346 5.305 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccc2C)cc1F 1862638895 MTFVYXTZTDHFNE-QHCPKHFHSA-N 449.453 5.060 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc2cc[nH]c2c1 1862660651 LQBAVWTUHLNXBK-XMMPIXPASA-N 446.547 5.295 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2cccc(F)c2)cc1 1862661481 BZFPRVJVOUAFDS-IQGLISFBSA-N 443.518 6.289 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccc(OCC)c1 1862664807 RPDQLHUORGIMNP-XMMPIXPASA-N 435.564 5.977 30 10 IKEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(F)c2)cc1 1862674009 RDEOIAWVOQLSLH-WNSKOXEYSA-N 449.453 5.313 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cccs2)cc1 1862679026 UGDWNSPOSLEVHS-QFIPXVFZSA-N 435.520 5.789 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccc(OC)cc2)cc1 1862689184 KGRHHENXFFZPCW-OSPHWJPCSA-N 443.499 5.043 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccccc2Cl)cc1 1862689717 XQVINOKKHVQDMU-WAIKUNEKSA-N 447.918 5.688 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1c(Cl)cccc1Cl 1862690305 MBKVFWDOQLUUQK-HXPMCKFVSA-N 434.319 5.379 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccccc2)cc1 1862713623 SDKNDMOZMDQPTD-MHZLTWQESA-N 447.534 5.969 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1 1862718256 WWKWPTWOEPMXKB-HSZRJFAPSA-N 442.471 5.269 30 10 IKEE CCc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(Cl)cc3)C2=O)cc1 1862792252 KNQJKNPMOVZSQA-UHFFFAOYSA-N 427.891 5.171 30 10 IKEE CC(C)c1ccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862798787 QDZDOUHCKIVZTM-UHFFFAOYSA-N 441.918 5.732 30 10 IKEE N#Cc1ccc(N2C(=O)C(Nc3ccccc3Cl)=C(c3cccc4ccccc34)C2=O)cc1 1862849388 MHNUOOHZMQLVIF-UHFFFAOYSA-N 449.897 5.761 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(C)c(Br)c2)=C(c2cccc3ccccc23)C1=O 1863229835 AZUIKCHMVVIWSR-UHFFFAOYSA-N 447.332 5.289 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3cccc(C#N)c3)C(=O)N(Cc3cccc(Cl)c3)C2=O)c1 1863402958 PHAYRXSUDCNYBH-UHFFFAOYSA-N 441.918 5.221 30 10 IKEE CCCCCCCCNC1=C(c2ccc(OCCC)cc2)C(=O)N(Cc2ccco2)C1=O 1863677192 CYBANUUKZNEAQL-UHFFFAOYSA-N 438.568 5.299 30 10 IKEE O=C(Nc1ncc(C(F)(F)F)cc1Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1865966466 PRVYVMKTHGMGTD-UHFFFAOYSA-N 436.661 6.044 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)NCC1(c2ccccc2)CCCC1 1866029957 RAZWSBQGLRLLPD-UHFFFAOYSA-N 441.744 8.876 30 10 IKEE Cc1ccc([C@H](C#N)NC(=O)[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2)cc1 1867865576 AORUXGIVOSDTJD-DQEYMECFSA-N 439.559 5.145 30 10 IKEE N#Cc1ccc(Nc2cc(N3CC[C@H](c4ccco4)C3)nc(-c3ccccc3Cl)n2)cc1 1868426437 TWPDDZKBSOURDI-SFHVURJKSA-N 441.922 5.999 30 10 IKEE CCCCCCCOc1cn(CCCCN2CCCC2)c(CN2CCC[C@@H](C)C2)cc1=O 1870414062 FVTWWGBKNSMSGT-XMMPIXPASA-N 445.692 5.305 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(OC)cc2)c(CN(CC)CCCC)cc1=O 1870414291 KCFTVLPYVMUALM-UHFFFAOYSA-N 442.644 5.876 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc4c3CN(C3CCCCCCC3)CO4)C2=O)c1OC 1871348567 GUAARWKALPCVPO-IWIPYMOSSA-N 449.547 5.585 30 10 IKEE Cc1cc(OC(=O)CCCOc2ccccc2)cc2c1C(=O)/C(=C/c1cccc(F)c1)O2 1871371093 JZLHXKJNMJOIEQ-HAHDFKILSA-N 432.447 5.515 30 10 IKEE CC(C)c1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 1871380510 RNNVZOUKYSSJFM-QLBSNTPRSA-N 428.459 6.184 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3cc(OC(=O)CCOc4ccccc4)ccc3C2=O)cc1 1871384562 YGBSBNUJLHDAMJ-XYGWBWBKSA-N 428.484 5.801 30 10 IKEE CC(C)=C1Oc2cc(OC(=O)c3ccc(OC(=O)c4cccs4)cc3)cc(C)c2C1=O 1871392330 VZEFCEJJUDKKCZ-UHFFFAOYSA-N 434.469 5.364 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCCOc4ccc(C)cc4)cc(C)c3C2=O)cc1OC 1871405340 JUQWHYZHSYDKBS-MYYYXRDXSA-N 446.499 5.395 30 10 IKEE C[C@H](NC(=O)COc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O)c1ccccc1 1871424301 FAUMINLNUBQIMK-BHAHYFTCSA-N 425.484 5.115 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCCC(=O)Nc4ccc(C)cc4)cc(C)c3C2=O)cc1 1871430479 BUWHJSFOHLKUET-IWIPYMOSSA-N 427.500 5.636 30 10 IKEE Cc1cccc(COc2cc(C)c3c(c2)O/C(=C\c2ccc(-c4ccccc4)cc2)C3=O)c1 1871455096 KOVDVTJEWDBNPS-QRQIAZFYSA-N 432.519 7.166 30 10 IKEE Cc1c(OCC(=O)Nc2ccccc2Cl)ccc2c1O/C(=C\c1ccc(F)cc1)C2=O 1871455275 JPSUVDOFLBDRGS-MTJSOVHGSA-N 437.854 5.421 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[C@@H](C)CC)S(=O)(=O)CCCC 1872026559 UIHQDIASXPBXSI-UGKGYDQZSA-N 436.662 5.345 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)n2)cc1C 1872787371 IMWROPUMHBKRBQ-XMSQKQJNSA-N 448.588 6.203 30 10 IKEE CCCCCCCCNC(=O)c1ccc(CN2CCN(c3ccc(F)cc3)CC2)cc1 1872881555 DBMKAYAPNHOHPZ-UHFFFAOYSA-N 425.592 5.238 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cccc(OCC)c2)=C(c2ccccc2)C1=O 1873412904 BHYTZNRLIQIMER-UHFFFAOYSA-N 448.607 6.418 30 10 IKEE CCCCCCCCN=c1nc2c(cnn2-c2ccccc2)c(Nc2ccc(O)cc2C)[nH]1 1873478455 YPCRVTWTGVQOOH-UHFFFAOYSA-N 444.583 5.767 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(F)c(Cl)c1)n2CCC 1873657032 TZKXWOBSVHXKJM-UHFFFAOYSA-N 427.911 5.065 30 10 IKEE CCCSc1nnc(COc2ccccc2OCC)n1/N=C/c1cn(C)c2ccccc12 1874242835 AGOIPPLXQVRJBE-MFKUBSTISA-N 449.580 5.132 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccccc1OC(C)C 1874264574 FRTZBKVEZNFQJY-ZVHZXABRSA-N 444.988 5.682 30 10 IKEE CCCSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1ccc(O)c(OCC)c1 1874331231 BTYOQJANOJFALQ-PCLIKHOPSA-N 438.597 5.169 30 10 IKEE Fc1ccc(/C=N/n2c(CCc3cccs3)nnc2SCc2ccc(F)cc2)cc1 1874368870 XAMWICXIOKRVJR-AFUMVMLFSA-N 440.544 5.578 30 10 IKEE Oc1cccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2F)c1 1874379624 CLBLUFGFJPYYJW-VULFUBBASA-N 436.487 5.027 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccccc1 1874399967 YIWXGLCKMBNVJF-PMFZIYJTSA-N 432.980 6.258 30 10 IKEE COc1cccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccc(C)cc2)c1 1874415251 GTVGRJDYPMKMNP-YZSQISJMSA-N 428.561 5.360 30 10 IKEE Cc1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2c(F)cccc2Cl)cc1 1874420109 AVBFAIFCIYWBCZ-WYMPLXKRSA-N 442.972 6.282 30 10 IKEE CCCCOc1ccc(/C=N/n2c(S)nnc2CCc2ccccc2C)cc1OCC 1874562471 YTHBRMGAJADVML-KOEQRZSOSA-N 438.597 5.120 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Br)cc(OC)c2OCCO)cc1 1874574069 SOXLUBUUMGUCPH-ZHACJKMWSA-N 433.342 5.068 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)NC3CCCCC3)c(Cl)c2)cc1 1874604330 HAYIOOMWCXCOMW-GXDHUFHOSA-N 425.956 5.626 30 10 IKEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccccc3Cl)cc2Cl)o1 1874608903 NDLDWKSNCVLWQJ-RMKNXTFCSA-N 431.271 5.848 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cc(C)ccc3C)c(Cl)c2)cc1 1874616331 UFTKZPGMOVPURX-XYOKQWHBSA-N 433.935 6.179 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(OC)c1OCc1ccccc1F 1874621812 VTTAHVVQYBHUHQ-PKNBQFBNSA-N 446.474 5.767 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OCC(=O)N(CC)CC 1874623331 XTZZPKBHFSATRI-JQIJEIRASA-N 431.532 5.382 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)c1cccc2ccccc12 1874623646 NYILVHWOZHDEOA-GXDHUFHOSA-N 433.334 7.622 30 10 IKEE C=C(C)COc1c(Cl)cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1OCC 1874635510 POGJLEDYFHBEJT-ZRDIBKRKSA-N 426.984 7.196 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cccc4ccccc34)c2)cc1 1874697176 UZCGZKOMSKQKNB-MHWRWJLKSA-N 438.479 5.972 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OC(=O)C(C)C 1874707955 FQDFEASRTPSVCI-ZHACJKMWSA-N 445.353 6.039 30 10 IKEE CCOc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3cc(C)cc(C)c3OC)c2)cc1 1874713028 CIOYMPCLTJPRRN-SDNWHVSQSA-N 444.527 5.755 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cccc(OC(=O)Cc2ccc(C)c(C)c2)c1 1874715411 RYIZWEAQXGIRCD-ZHACJKMWSA-N 448.946 6.318 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(Cl)c1OC(=O)CC(C)(C)C 1875096806 FYWFGRGSISOVHU-FMIVXFBMSA-N 440.967 6.465 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)Cc3ccc(C)cc3)c(OC)c2)cc1 1875113160 YRDCGCXVWABAOK-NTEUORMPSA-N 446.499 5.065 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2[N+](=O)[O-])cc1 1875135000 USORUGNTRVJJPZ-LFYBBSHMSA-N 431.444 5.336 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OC 1875136306 ISZVQOTWRRUWQW-XNTDXEJSSA-N 430.500 5.447 30 10 IKEE C=CCN(CC=C)C(=O)c1cc2c(NCCCCCCCC)ncnc2n1CCCOC 1875221883 JRENYLPUHUZSAU-UHFFFAOYSA-N 441.620 5.054 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCC)c2ccc(Br)cc2F)C1 1877007190 RUXKESNCZFAHBQ-KRWDZBQOSA-N 427.358 5.100 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccccc3-c3ccc(C)cc3)ccc21 1891150690 TWWSKHXUFNRDRL-UHFFFAOYSA-N 440.543 5.852 30 10 IKEE O=C(Nc1cccc(-c2ccc(C(F)(F)F)cc2)c1)c1ccc(F)c(C(F)(F)F)c1 1891349368 FUOXOIJPVVHBQY-UHFFFAOYSA-N 427.319 6.783 30 10 IKEE N#Cc1cccc(N2CCN(C(=O)c3cc(Cl)c(Cl)c(Cl)c3Cl)CC2)c1 1891357320 YDFNNIORWRNHOQ-UHFFFAOYSA-N 429.134 5.134 30 10 IKEE O=C(Nc1cc(F)cc(C(F)(F)F)c1)N1CC[C@@H](Cc2ccc(C(F)(F)F)cc2)C1 1891398131 IMKPTXYCEFDVSA-ZDUSSCGKSA-N 434.355 5.960 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)[C@@H]2CCC[C@H]21 1926540961 DIBODLBDEMONPJ-FHAGJXEFSA-N 441.572 5.105 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)CC[C@H](C)C[C@H]1OCc1ccccc1 2043824398 NHVMBKCEUQVTAQ-QTMWPNOBSA-N 437.624 5.264 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@H]3C[C@H]2C[C@H]3NC(=O)OC(C)(C)C)c1 2046019745 QCDKBHLHDFTRFC-MHDHIAOQSA-N 441.572 5.322 30 10 IKEE CCN(CC=CC#CC(C)(C)C)Cc1cccc(OCC(C)(C)OCc2ccsc2)c1 2054829032 FQZFIVOMFHKBCE-UHFFFAOYSA-N 439.665 6.550 30 10 IKEE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)c2ccc(C(F)(F)F)cc2C#N)C1 2055660096 FKYJNMURPMMCOK-UHFFFAOYSA-N 447.457 5.135 30 10 IKEE C=CCC1([C@@H](N)c2c(Cl)ccc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2058347060 VHVFEEIYKFIPJS-HNNXBMFYSA-N 433.749 5.055 30 10 IKEE ON=Cc1c(C2CCC2)nn([C@@H](c2ccc(C(F)(F)F)cc2F)C2CCC2)c1Cl 2079926338 AFSUBHXIIBEFSU-GOSISDBHSA-N 429.845 6.160 30 10 IKEE Fc1ccc(C(F)(F)F)c(-c2c(C(F)(F)F)nn(C3CCC3)c2Br)c1 2080825196 HXWUEZVBYXTZMH-UHFFFAOYSA-N 431.149 6.214 30 10 IKEE C#CC[C@@H](C[C@@H](NCC)c1ccc(I)c(Br)c1)C1CC1 2196854284 MTTSQBPJRXMOOG-SUMWQHHRSA-N 446.170 5.144 30 10 IKEE C=CC1CC(CO)(N(C(=O)OCC2c3ccccc3-c3ccccc32)c2ccccc2F)C1 2211069505 OUIPYMXZZWDABJ-UHFFFAOYSA-N 443.518 5.908 30 10 IKEE CCCCCCCC[C@@](C)(CO)N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 2212637555 DLYMOSOCKWFMOD-LJAQVGFWSA-N 449.635 6.902 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Cl)cc([C@H](N)C#Cc2ccccc2Br)c1 2227510016 WCAPFKNRSDXRMQ-GOSISDBHSA-N 435.749 5.501 30 10 IKEE C=CCCC1([C@@H](O)c2ccc(Cl)cc2Br)CN(C(=O)OC(C)(C)C)C1 2254930944 DZTPHOLDTYAIQM-INIZCTEOSA-N 430.770 5.339 30 10 IKEE CCOc1ccc2cc(C=CC(=O)c3c4ccccc4cc4ccccc34)c(Cl)nc2c1 2295116838 WLTUYJLAJXFZAF-UHFFFAOYSA-N 437.926 7.489 30 10 IKEE CN[C@H](C#Cc1ccc(Br)cc1)[C@H](C)CCC[C@@H](C)NC(=O)OC(C)(C)C 2296288645 JFGPOUPWSQESJI-MBOZVWFJSA-N 437.422 5.108 30 10 IKEE COc1ccc(OC)c(C=C2SC(=NCc3ccccc3)N(Cc3ccccc3)C2=O)c1 2296455797 NDTUHKKTTBVOMI-UHFFFAOYSA-N 444.556 5.377 30 10 IKEE COc1ccc(N2C(SC)=NC(=Nc3cccc(C(F)(F)F)c3)C23CCCCC3)cc1 2297731225 REIGONRQIWHGBO-UHFFFAOYSA-N 447.526 6.686 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(=C(O)c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccccn2)cc1 2297747632 LTLUXBLODOXHJH-QFIPXVFZSA-N 446.934 5.659 30 10 IKEE COC(=O)c1ccccc1N=C1NC(=O)C(=Cc2ccc(-c3ccccc3Cl)o2)S1 2314557426 FKRPOSQILORYLK-UHFFFAOYSA-N 438.892 5.278 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(O)c(OC)c1 2318571575 NQPHXKKQNXNAES-UHFFFAOYSA-N 430.961 5.163 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(C)n2N=Cc2ccc(Cl)c(Cl)c2)c1 2321109423 INQCSPJEYIHEKK-UHFFFAOYSA-N 448.379 5.123 30 10 IKEE COc1ccc(C=NNc2ccc(Cl)c(Cl)c2)cc1OCc1ccccc1Cl 2321720128 SXWRJIBZWBIUFB-UHFFFAOYSA-N 435.738 6.680 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OCc3ccc(Cl)cc3Cl)cc(C)c2C1=O 2321787323 UQKMZXGTBPZKAH-UHFFFAOYSA-N 425.311 6.805 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccccc1Cl)O3)CN(CCOc1ccccc1)CO2 2322038164 DLHLVQQUJLCDEJ-UHFFFAOYSA-N 447.918 5.496 30 10 IKEE C[C@H](c1ccccc1)N1COc2ccc3c(c2C1)OC(=Cc1ccc(N(C)C)cc1)C3=O 2322092157 FOUIHKUSQVZHPZ-GOSISDBHSA-N 426.516 5.282 30 10 IKEE COc1cccc(C=CC(=O)c2cc(C)ccc2C)c1OCC(=O)Nc1cccc(C)c1 2322624075 FNQQQMSSXLGDQT-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE O=C(C=Cc1ccccc1OCc1nc(O)c2ccccc2n1)c1cccc2ccccc12 2322711951 DHFHDSSJAQLAFK-UHFFFAOYSA-N 432.479 5.964 30 10 IKEE COC(=O)COc1ccc2ccccc2c1C=CC(=O)c1cc(Cl)cc(Cl)c1OC 2322828349 JXQFEZAWLOWYJN-UHFFFAOYSA-N 445.298 5.603 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2c(C)cc(C)cc2C)c1OCc1cc(C)ccc1C 2322948730 HNTKCOLDQFVQIE-UHFFFAOYSA-N 448.990 7.366 30 10 IKEE Cc1ccccc1NC(=O)COc1cccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)c1 2323150883 ROBGFXHTVGBUEW-UHFFFAOYSA-N 440.326 6.215 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1Cl)NCc1ccccc1 2323790228 APWDRZWBSGYJOH-UHFFFAOYSA-N 440.326 5.585 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2Cl)cc1 2323790334 QZKOYWLCGKAJRI-UHFFFAOYSA-N 440.326 6.215 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 2323812733 BDOXUBFKACNDPC-UHFFFAOYSA-N 427.327 6.867 30 10 IKEE CCCOc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(C)c2)C3=O)c1 2323839265 YONBAVLUKSRMCL-UHFFFAOYSA-N 428.484 5.928 30 10 IKEE C=CCc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OCC(=O)NCCC 2324356410 YBUIKYHDXHJDSI-UHFFFAOYSA-N 449.591 5.458 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccccc2F)C3=O)c(C)c1 2324494728 ZPGDPZWZKRXLQY-SFHVURJKSA-N 445.490 5.773 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCCCOc4ccc(OC)cc4)ccc3C2=O)cc1 2324697057 NLDHFQFMLMQTPE-UHFFFAOYSA-N 446.499 5.558 30 10 IKEE COc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2cccc(Cl)c2)cc1 2325494506 LDZCXWBBXYMLGC-UHFFFAOYSA-N 448.979 5.705 30 10 IKEE CCCCCOc1ccc(C=Nn2cnnc2SCc2ccc(F)cc2)cc1OCC 2325648564 GBRJFTQYRUYRJE-UHFFFAOYSA-N 442.560 5.559 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1OC(=O)c1ccccc1C 2325708457 VNLIDGHJTDTUGQ-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(Cl)cc3)c2)c1C 2325756721 PSOCNOGYTBVDDY-UHFFFAOYSA-N 432.947 6.618 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1cccc(Cl)c1Cl 2326306497 CCNDAFKWYANVMK-UHFFFAOYSA-N 433.408 6.410 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1N=Cc1cc(Cl)c(O)c(Cl)c1 2326382376 JNAQZXYRJVKULU-UHFFFAOYSA-N 435.380 5.726 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccc(O)c(O)c2)c(C)c1 2326461032 SYDVTHWUNDZVEZ-UHFFFAOYSA-N 444.560 5.071 30 10 IKEE C=C(C)CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccc(N(C)C)cc1 2326911228 LNPJTDVIZCIILO-UHFFFAOYSA-N 449.668 5.653 30 10 IKEE Clc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2cccnc2)cc1 2327557812 FUTIRVCQRJYCGJ-UHFFFAOYSA-N 435.940 5.080 30 10 IKEE COc1ccc(C=Nn2c(Cc3ccccc3F)nnc2SCc2ccc(C)cc2)cc1 2329700667 FFVUBEXSLKYRMW-UHFFFAOYSA-N 446.551 5.500 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccc(F)cc3)n2N=Cc2ccncc2)c1 2329842570 LIDFAFDDJSWEDT-UHFFFAOYSA-N 431.540 5.194 30 10 IKEE Fc1ccccc1CSc1nnc(-c2cccs2)n1N=Cc1c(F)cccc1Cl 2330583180 OXPZYWFSYFAMIM-UHFFFAOYSA-N 446.935 6.113 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)c(F)c3)c([N+](=O)[O-])c2)cc1 2330750152 POJGROAEFZJMOW-UHFFFAOYSA-N 437.398 5.551 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)C(C)(C)C)c(Br)c2)cc1 2330833264 GBFAQZKMPHIRGS-UHFFFAOYSA-N 443.381 6.639 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c(C)c2)cc1 2330855547 VFMIUJNDFDBGHX-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE CC(C)(C)Cc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccncc1 2330857360 VOOWPMZMQBRMMN-UHFFFAOYSA-N 434.396 5.743 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc4ccccc34)c(Cl)c2)cc1 2330961436 SNUKWALILJHKMO-UHFFFAOYSA-N 442.898 6.617 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(OC)c(OC(=O)c2cc(C)cc(C)c2)c(OC)c1 2331056871 PVUDUXONCATLMJ-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE Cc1cc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2)ccc1Cl 2331138415 IGRFSIYZVMSLNM-UHFFFAOYSA-N 441.310 6.182 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)c(F)c2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 2331149826 YUDNEJBVFJAIFW-UHFFFAOYSA-N 443.789 5.642 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)COc3cc(C)c(Cl)c(C)c3)cc2)c1 2331313422 KIWCYEHTDNDCTJ-UHFFFAOYSA-N 448.946 6.454 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3OC)cc2[N+](=O)[O-])cc1 2331362530 WDHLAIVTEABFOW-UHFFFAOYSA-N 445.471 5.590 30 10 IKEE Cc1cccc(C=Nn2c(SCC(=O)Nc3c(C)cccc3C)nnc2C(C)(C)C)c1 2331391805 HFBXCDKNGGVGDX-UHFFFAOYSA-N 435.597 5.114 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 2331412590 NAOOJAUFMQXLIL-UHFFFAOYSA-N 428.528 6.498 30 10 IKEE C=CCSc1nnc(C2CCC2)n1N=Cc1ccc(OCCc2ccccc2)c(OC)c1 2331532386 USJYKQZWWWEUNO-UHFFFAOYSA-N 448.592 5.336 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)CSc1ccccc1 2331716212 BVZBQUDGYDXKST-UHFFFAOYSA-N 432.541 5.906 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2N=Cc2ccc(C(C)C)cc2)cc1C 2331724030 HYCVCSNTSOSKTQ-UHFFFAOYSA-N 447.608 5.509 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)COc3ccccc3OC)cc2)cc1C 2331835543 KNIJPCZGWUMMSP-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)c(OC)cc2C)cc(OC)c1OC(=O)C1CCCC1 2331854691 UJNNYLIEUVJFQE-UHFFFAOYSA-N 448.559 6.041 30 10 IKEE CN[C@@H](C#Cc1cccc(Br)c1)c1ccc(NC(=O)OC(C)(C)C)cc1Cl 2361048984 MUWAEIMBAZVUHL-IBGZPJMESA-N 449.776 5.762 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](N)c2c(C)c(C)c(Br)c(C)c2C)C1 2375333714 RMLLKCOUZVECLQ-LJQANCHMSA-N 437.422 5.544 30 10 IKEE OCCC#Cc1ccc(CN(Cc2ccccc2)Cc2cccs2)cc1Br 2377351841 ZVYDIGIDZJPHHS-UHFFFAOYSA-N 440.406 5.447 30 10 IKEE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)Nc1c(Cl)cccc1Cl 14092567 WFIXRZKSOSNGKK-UHFFFAOYSA-N 447.391 5.287 30 10 IKEE Cc1cc(C)nc(N/C(=N\C(=S)Nc2ccccc2C)NCc2ccc(Cl)cc2)n1 14156767 GJGLAAWKCQYFTE-UHFFFAOYSA-N 438.988 5.010 30 10 IKEE CCc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2c(F)cccc2Cl)cc1 20882030 VNOVQJKJMGUNPU-XRHLQHRESA-N 446.953 7.021 30 10 IKEE CC(C)COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccs2)cc1 21239343 USYMIBYSUNDCIL-UZTOHYMASA-N 444.600 6.762 30 10 IKEE N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCCCC(=O)c1cccs1 27750972 VUIOHSNOLSBTCH-UHFFFAOYSA-N 438.521 6.517 30 10 IKEE Cc1noc2c1[C@@H](c1cccc(Br)c1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 28051618 ACQYNELHLXNPJA-HRAATJIYSA-N 435.321 5.704 30 10 IKEE O=C(c1c(-c2ccccc2)c2cc(Br)ccc2[nH]c1=O)[C@@H]1O[C@@H]1c1ccccc1 32106117 GUNFZMQFFRJZDR-PKTZIBPZSA-N 446.300 5.280 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3)cc2/C=N\NC(=S)Nc2ccc(C)cc2)cc1 33426698 WYFXXQFMSHBTCY-QQXSKIMKSA-N 441.560 5.177 30 10 IKEE O=C1/C(=C/c2cccc(Cl)c2Cl)Oc2cc(OCc3c(F)cccc3Cl)ccc21 33513986 ZDHDROQGBNPUFU-UKWGHVSLSA-N 449.692 6.981 30 10 IKEE COc1cccc(COc2ccc3c(c2)O/C(=C\c2ccccc2Br)C3=O)c1 33514080 KUJLYCSSIMGWFH-UUYOSTAYSA-N 437.289 5.653 30 10 IKEE N#Cc1c(NC(=O)COC(=O)/C=C\c2cccc(C(F)(F)F)c2)sc2c1CCCCC2 33590459 OELJSOLXWGDWBQ-KTKRTIGZSA-N 448.466 5.103 30 10 IKEE C=CCn1c(SCc2ccc(C(=O)Nc3ccccc3C)cc2)nnc1-c1ccccc1 39850652 KPCREQJVQHOBTJ-UHFFFAOYSA-N 440.572 5.984 30 10 IKEE Cc1nn(-c2ccccc2)c2c1/C(=N/OC(=O)c1ccc(Cl)cc1Cl)CC(C)(C)C2 39853032 FXSVKZJNUKXFJO-ZXVVBBHZSA-N 442.346 6.021 30 10 IKEE CC(C)c1ccc(OCCCC(=O)Nc2sc(=S)c3c(c2C#N)CC[C@@H](C)C3)cc1 41018548 YSUKXKYYSVPISN-MRXNPFEDSA-N 440.634 6.395 30 10 IKEE CCn1cc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(C2CCCC2)C4)c2ccccc21 41650831 VUTSSFHKRQCQEQ-CFRMEGHHSA-N 428.532 5.680 30 10 IKEE CCCCCCCOc1ccc(NC(=O)CNc2ccc(C(=O)N[C@H](C)CC)cc2)cc1 100100765 IYLLIZVVITZDSI-HXUWFJFHSA-N 439.600 5.615 30 10 IKEE COc1ccc(N2C(=O)N[C@](c3ccccc3)(C(F)(F)F)S/C2=N/C(C)(C)C)cc1 105915534 SAZVCVPUFLNCES-VIHXGXMLSA-N 437.487 5.528 30 10 IKEE SCC1(COc2c(Br)cc(Br)cc2Br)CC1 127126627 JJOQPYUVXBJVBU-UHFFFAOYSA-N 430.987 5.063 30 10 IKEE CCCOc1ccc([C@@H]2NC(=S)N(CC)C(C)=C2C(=O)c2ccccc2)cc1Cl 169931501 DHKJKDUZXSGQTM-NRFANRHFSA-N 428.985 5.537 30 10 IKEE COc1cc(/C=N\Nc2nc(-c3ccc(C)cc3)cs2)ccc1OCc1ccc(C)cc1 169940784 GDHCOEUQWYQGRD-DICXZTSXSA-N 443.572 6.461 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(N(C)C)cc2)c1 169956813 HXTFOKJIEWOLPE-DEOSSOPVSA-N 448.563 5.062 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccncc1 170018854 AOKXJNVAYCZTDF-FQEVSTJZSA-N 439.298 5.480 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(F)ccc3OC)[C@H]2c2ccc(F)cc2)cc1 170061940 VHSUYDCBMSHWBP-HSZRJFAPSA-N 449.453 5.319 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2ccc(F)cc2)cc1 170062040 OKOGCNAMQNNSOG-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccccn2)c1 170167792 RKXPGPSAOZMQHU-XMMPIXPASA-N 436.467 5.026 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccc(OCC)cc1 170214022 FVUZTQUTJKMIFI-QHCPKHFHSA-N 437.536 5.108 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(Cl)cc1)c1cccc2ccccc12 170235463 YBVKVTTVZPBYBA-QHCPKHFHSA-N 443.886 5.865 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1cccc(O)c1 170259464 KESVWUDPNWJYOR-QHCPKHFHSA-N 443.499 5.109 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2C)c1 170271073 BIMPRKKCVPTLDM-QHCPKHFHSA-N 431.463 5.316 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccco2)cc1C 170289871 GPQIDKKIBNXVAI-HSZRJFAPSA-N 442.471 5.031 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(C)o2)c1 170299581 VZDYDDWSCABPMH-QFIPXVFZSA-N 435.451 5.299 30 10 IKEE CCOc1cc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2cccc3ccccc23)ccc1O 170464743 OUYZVWARVATZLU-VWLOTQADSA-N 445.515 5.459 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(F)ccc(F)c1Br 407067465 CTMLGFAISSOGIO-RHSMWYFYSA-N 433.337 5.237 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccccc2OC)cc1 526517777 WLQBXLMSAVFWCM-RUZDIDTESA-N 440.499 5.413 30 10 IKEE CCOc1ccc([C@@H]2C(c3cccc(OC)c3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526607131 RRZKCPDNWUPOMP-XMMPIXPASA-N 426.472 5.023 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2cccs2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 526607597 YYXCKFFPACLBGR-IBGZPJMESA-N 437.864 5.239 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccs2)cc1OCC 526607758 VPLCUCBSOXEGOQ-HSZRJFAPSA-N 446.528 5.474 30 10 IKEE Cc1nnc(SCc2cccc3ccccc23)n1/N=C\c1cccc(Br)c1 526821238 IDVLJISJSWMANI-QRVIBDJDSA-N 437.366 5.677 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(F)cc(Br)cc1F 689336366 IRPOILMUFFXEFZ-DOTOQJQBSA-N 433.337 5.237 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2nc(C)c(Br)s2)c1 719320917 AWIPPKUAXQXVSB-AWEZNQCLSA-N 438.347 5.229 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2ccc(F)cc2Br)c1 829353402 CQNUUSDMHJCZFV-GOSISDBHSA-N 435.293 5.603 30 10 IKEE O=C1C(=NN=c2c3ccccc3[nH]c3ccccc23)c2ccccc2N1Cc1ccccc1 1084061234 UFOABJJINZXSGN-UHFFFAOYSA-N 428.495 5.173 30 10 IKEE O=C1c2cccc3cccc(c23)C(=O)N1c1ccc(N=Cc2c(Cl)cccc2Cl)cc1 1084431996 FXVRXUJRHYGJAT-UHFFFAOYSA-N 445.305 6.698 30 10 IKEE N#Cc1c(N=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)sc2c1CCCC2 1084640434 SMSLEXSKNZZBMZ-UHFFFAOYSA-N 448.460 5.858 30 10 IKEE CC(C)n1c(O)nc2ccc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc21 1464346809 DGEJQGQUFSPUHO-UHFFFAOYSA-N 440.503 5.220 30 10 IKEE Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1C(=NNc1ccccc1)CC(C)(C)C2 1772728449 FTXVYBGQCDMWMC-UHFFFAOYSA-N 445.519 5.035 30 10 IKEE Cc1c(N=Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c(O)n(C2CCCC2)c(=O)c1C#N 1772741530 SCBMWYSWBLSAIC-UHFFFAOYSA-N 435.362 5.192 30 10 IKEE Cc1c(C(=O)Nc2ccccc2Cl)oc2c1C(=NNc1ccc([N+](=O)[O-])cc1)CCC2 1772747092 HZMUULGRFZPWGE-UHFFFAOYSA-N 438.871 5.554 30 10 IKEE CC(C)Cc1c(Cl)c(C(=O)Nc2ccc(C#N)cc2)nn1Cc1cccc(Cl)c1 1859379254 URIUKKNYLSUBQE-UHFFFAOYSA-N 427.335 5.561 30 10 IKEE CCCCCCCCCCNc1cc(N2CCCCCC2)nc(-c2ccc(OC)cc2)n1 1859792605 JPPJKBOQWYBBMG-UHFFFAOYSA-N 438.660 7.085 30 10 IKEE N#Cc1ccccc1COc1cccc(NC(=O)CC(c2ccccc2)c2ccccc2)c1 1860099229 ODCYRWVAIPPIRW-UHFFFAOYSA-N 432.523 6.298 30 10 IKEE CCCCCCCCCNC(=O)[C@H](C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1C 1860271375 ODTALUJCSXFUQM-NRFANRHFSA-N 449.591 6.403 30 10 IKEE N#Cc1cccc(C(=O)N2CC=C(c3ccc(OC(=O)c4ccc(Cl)s4)cc3)CC2)c1 1860684829 NUEGZNGFOCDSEU-UHFFFAOYSA-N 448.931 5.422 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)c1ccc(=O)n(CC(C)C)c1 1861240335 VKNSLWONBZOGSL-HSZRJFAPSA-N 447.664 5.050 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@@H]1c1ccc(C(=O)O)cc1 1862393585 YOZVCZXBWQWIAA-QHCPKHFHSA-N 449.547 5.496 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1 1862394041 BPVPWDXFSNRJLQ-VWLOTQADSA-N 433.592 6.387 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@H]1c1ccccc1)c1ccc(F)cc1F 1862412539 HKPMHYKJXIEEDB-QFIPXVFZSA-N 425.475 5.656 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1cccc2ccccc12 1862420975 SZSGIXIWAIZPRT-HSZRJFAPSA-N 435.470 5.887 30 10 IKEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccccc2)cc1 1862475430 LJQUIISXJILDLS-MHECFPHRSA-N 427.500 5.343 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccs2)cc1 1862479087 YGKMRIDTCFUTJM-QFIPXVFZSA-N 433.529 5.234 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862480685 LZVGCNIAOOCBLO-SAWYMBPVSA-N 434.492 5.060 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862483840 DYNCZJVLHYLLPU-NTKDMRAZSA-N 435.564 5.941 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@H]2c2cccc(F)c2)c1 1862488489 BBSXULPXABTAAL-QHCPKHFHSA-N 449.909 5.874 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccc(O)c(O)c2)c1 1862489456 VXFMETVYEKHODS-DEOSSOPVSA-N 447.531 5.183 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCCCN2CCCC2)c1 1862490282 RURFGEZFZLRXLM-RUZDIDTESA-N 446.591 5.066 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccc(OCC)c1 1862493640 VDTVMIRDJSQORI-DEOSSOPVSA-N 435.564 5.861 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(F)cc2F)ccc1F 1862503470 YFVZUHFMAHJOCG-NRFANRHFSA-N 429.438 5.323 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(C)cc1 1862523478 IPDICDYVLBERKR-IBGZPJMESA-N 428.326 5.136 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccccc2F)cc1 1862530453 QSBMXHFKXYGLOW-XMMPIXPASA-N 435.539 6.079 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccccc1Cl 1862545689 GMRJULLBVOEFBO-QHCPKHFHSA-N 437.967 5.987 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862582788 MLUJWSFYVPNFNF-VOJFVSQTSA-N 449.290 5.278 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1cc(Cl)cc(Cl)c1 1862706523 YQSUVTIFXHPPOT-HXPMCKFVSA-N 434.319 5.379 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2cccc(C)c2)c1 1862713017 FVAOMFQOIUSVKC-MHZLTWQESA-N 447.534 6.235 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccccc1)c1ccc2ccccc2c1 1862713214 JONOUDYTEHFWGL-RUZDIDTESA-N 425.528 6.141 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccccc2C)c1 1862713567 RACTWOWYASJESN-MHZLTWQESA-N 447.534 6.235 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 1862735775 AYGLGIZXRMTHRT-QFIPXVFZSA-N 436.508 5.534 30 10 IKEE CCCOc1ccccc1NC1=C(c2ccc(C)cc2)C(=O)N(c2ccccc2C#N)C1=O 1862905592 VINUYENXYXMBCI-UHFFFAOYSA-N 437.499 5.052 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3cccc(Cl)c3)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1863030886 QFTNYHMIYIZXEH-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3cc(Cl)ccc3C)C(=O)N(c3ccccc3C#N)C2=O)c1 1863036738 CUXCPEPSCVKDRK-UHFFFAOYSA-N 441.918 5.534 30 10 IKEE Cc1cc(C)cc(NC2=C(c3ccc(F)c(C)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1863092580 APPMOWOGPFASDA-UHFFFAOYSA-N 425.463 5.019 30 10 IKEE CCCCCCCCCCNC1=C(c2cc(Cl)ccc2Cl)C(=O)N(CCC)C1=O 1863721786 FSGPLRZMPFSNJY-UHFFFAOYSA-N 439.427 6.214 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCOC(C)C)=C(c2ccccc2Cl)C1=O 1863778972 XYCJYVWFNWMJNK-UHFFFAOYSA-N 435.008 5.185 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2cccc(C)c2)=C(c2c[nH]c3ccccc23)C1=O 1863817848 QUMXCXSLHYNFGR-UHFFFAOYSA-N 443.591 5.707 30 10 IKEE Cc1ccc(/C(=C/C(=O)N[C@@H](C(=O)Nc2ccccc2C#N)c2ccccc2)C2CC2)cc1C 1866692243 MHAPZBRXMJHCSJ-GKKFRVOYSA-N 449.554 5.465 30 10 IKEE CC(C)(C)c1nc(Nc2ccccc2C#N)cc(N2CC[C@H](c3ccc4c(c3)OCO4)C2)n1 1868350368 HPILTDHPVGMINE-IBGZPJMESA-N 441.535 5.112 30 10 IKEE CC(C)[C@@H]1c2ccccc2CCN1c1cc(Nc2cccc(C#N)c2)nc(-c2ccccc2)n1 1868354796 NKVRJXFVRUTMGO-MUUNZHRXSA-N 445.570 6.519 30 10 IKEE CCCCN(CCCC)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1Cc1ccco1 1870349285 HQYSWRVQDORFKD-UHFFFAOYSA-N 447.579 5.342 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCC(C)C)c(=O)cc1CN1CCCCCC1 1870423883 QVAQSHZCHMLJPD-UHFFFAOYSA-N 448.648 5.163 30 10 IKEE CCCCCCCOc1cn(C[C@H]2CCCO2)c(CNc2cc(C)cc(C)c2)cc1=O 1870833441 IYYPBMLSBQLVCE-XMMPIXPASA-N 426.601 5.605 30 10 IKEE Cc1c(OC(=O)Cc2ccccc2[N+](=O)[O-])ccc2c1O/C(=C\c1ccc(Cl)cc1)C2=O 1871374497 NJGLZYCQVDNPBC-MTJSOVHGSA-N 449.846 5.321 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O)Nc1c(F)cccc1F 1871440518 SXZZITCNSLUWHW-JMIUGGIZSA-N 441.817 5.252 30 10 IKEE CCCCc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2sccc2C)C3=O)cc1 1871455083 KFQUMYYNEUWGKK-HAHDFKILSA-N 447.556 6.033 30 10 IKEE CCCCCCCCCCN=c1nc(N(CCC)CCC)[nH]c(=Nc2cccc(F)c2)[nH]1 1871546186 JXUQXDCFZAJBRR-UHFFFAOYSA-N 444.643 5.777 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1cccs1 1872445152 BTOLHEYEOPJPIC-FQEVSTJZSA-N 434.627 5.246 30 10 IKEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1 1872490771 XDIZXEOLYJPUOE-QFIPXVFZSA-N 449.016 5.187 30 10 IKEE CC(=O)Nc1ccc(-c2nc([C@H](C#N)C(=O)CSc3ccc(C)cc3)sc2C)cc1 1872728124 ONMCDOLNZLZDHA-HXUWFJFHSA-N 435.574 5.354 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ccc(Cl)cc3)n2)cc1OC 1872761867 XNMPDCXKXPYMSK-QGZVFWFLSA-N 426.925 5.290 30 10 IKEE N#C[C@H](C(=O)c1cccc2ccccc12)c1nc(-c2cccc(Br)c2)cs1 1872763497 NLGKEKSBISOZKO-LJQANCHMSA-N 433.330 6.216 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)COc2cccc(C)c2C)n1 1872777561 QLXGRUHRYHDWAV-FQEVSTJZSA-N 448.588 5.988 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(N(CC)CC)cc2)=C(c2cccnc2)C1=O 1873268877 JWENJDOUXLQXFR-UHFFFAOYSA-N 448.611 5.480 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1cc(Cl)cc(Cl)c1)n2CCC 1873656823 NTIJPEPLSZEDMU-UHFFFAOYSA-N 444.366 5.579 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3cc(C)ccc3OCC)c(=O)oc2c1C 1873928359 RXVZSTORPYUKOZ-UHFFFAOYSA-N 435.520 5.253 30 10 IKEE CCCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1ccccc1F 1874203185 OMAXXZCGFIIDHB-CVKSISIWSA-N 440.588 5.986 30 10 IKEE COc1ccc(OCc2nnc(SCc3ccccc3C)n2/N=C/c2ccccc2)cc1 1874293035 LVRDWOSZCWFUQF-WGOQTCKBSA-N 444.560 5.349 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCc3ccc(F)cc3)nnc2[C@H](C)c2ccccc2)c1 1874394721 UIHJXQROQNFBED-UBXTYJAUSA-N 446.551 5.758 30 10 IKEE Clc1ccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccccc2)cc1 1874408980 ZAJODOMGHJISOC-PCLIKHOPSA-N 425.001 6.229 30 10 IKEE CC(C)(C)Cc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccncc1 1874440344 VOOWPMZMQBRMMN-WYMPLXKRSA-N 434.396 5.743 30 10 IKEE CCCSc1nnc(COC)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874502555 NMUSQPHZHXNYPW-YDZHTSKRSA-N 430.961 5.041 30 10 IKEE Fc1cccc(Cl)c1/C=N/n1c(SCc2cccc3ccccc23)nnc1C1CC1 1874520342 DTZDAVNQQZUNDA-LGJNPRDNSA-N 436.943 6.276 30 10 IKEE O=C(/C=C/c1c(OCc2cccc(F)c2)ccc2ccccc12)c1ccc([N+](=O)[O-])cc1 1874575264 DSLSOVRRQCKZPV-BUHFOSPRSA-N 427.431 6.362 30 10 IKEE CCc1ccccc1NC(=O)COc1c(/C=C/C(=O)c2ccccc2)cc(Cl)cc1OC 1874578432 NRRMZTNPOBEABJ-BUHFOSPRSA-N 449.934 5.825 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)cc1 1874583513 REIQZDRJBGURFQ-WUKNDPDISA-N 440.970 8.092 30 10 IKEE CCCOc1ccc(Br)cc1/C=C/C(=O)c1cc(Cl)c(OC)cc1OC 1874588443 MOMFQOZPDJCRHN-FNORWQNLSA-N 439.733 5.805 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1OCC(=O)Nc1ccccc1 1874592994 MNYFQVSKSREGQA-RVDMUPIBSA-N 441.527 5.488 30 10 IKEE C=CCOc1c(OCC)cc(/C=C/C(=O)c2cccc(Br)c2)cc1[N+](=O)[O-] 1874610017 WVHZWIGRJNNGPW-CMDGGOBGSA-N 432.270 5.217 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)cc(Cl)c1OCCc1ccccc1 1874611866 WFACUIHCTGZQMH-BUHFOSPRSA-N 436.935 6.265 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1Cl 1874612510 YGYUISLIEVACPF-PKNBQFBNSA-N 440.326 6.215 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(-c4ccccc4)cc3)c2)cc1 1874701373 PNVXUINUBXFNSZ-RGVLZGJSSA-N 448.518 6.868 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OC(=O)c1ccc(N(C)C)cc1 1874703214 FGDHQIXRMYKKRF-RIYZIHGNSA-N 429.516 5.493 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(-c4ccccc4)cc3)c2)cc1 1874709308 AKABWQPQOWOLNW-RGVLZGJSSA-N 446.546 7.592 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cccc4ccccc34)c2)c(OC)c1 1874714124 FMWBUTJYXRRAJZ-DTQAZKPQSA-N 438.479 5.972 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(Cl)c1OC(=O)[C@@H]1CCCO1 1875094909 OXDXJWHTIOBIKO-NJTIBFSMSA-N 436.891 5.482 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(CC)cc3)cc2Cl)cc1 1875100196 SKZCJBFTXAKDEA-LFIBNONCSA-N 446.974 6.899 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3)c([N+](=O)[O-])c2)cc1F 1875153112 QHKPEXIOEZFIKM-YRNVUSSQSA-N 449.434 5.177 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)C(C)C)c([N+](=O)[O-])c1 1875160804 KTIYPYUBEJDIHT-JXMROGBWSA-N 425.481 5.358 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1OC(=O)C(C)(C)C 1875166312 VSGPXRWFNKFXCU-MDZDMXLPSA-N 428.956 6.430 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1875169375 JONUBZZACVITQV-AWNIVKPZSA-N 431.444 5.336 30 10 IKEE COc1cc(C(=O)/C=C/c2ccc(OC(=O)C(C)(C)C)c(OC)c2)c(OC)cc1Cl 1875172930 DCMRSTAWADAVPQ-VQHVLOKHSA-N 432.900 5.213 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)cc3)c(Cl)c2)cc1C 1875187250 VFVLUBXSWMLKIQ-YRNVUSSQSA-N 434.919 6.389 30 10 IKEE CCC#CC[C@H](NCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875652270 ROARUBBWDXPIKG-WNJJXGMVSA-N 443.587 5.660 30 10 IKEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1cccc(SC(F)(F)F)c1 1891124837 IQKZYVFYENNHDW-UHFFFAOYSA-N 433.373 5.130 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 1922055851 VLPZUGVLKWSIBC-XZOQPEGZSA-N 428.617 5.165 30 10 IKEE c1ccc(CN(Cc2ccccc2)C2(CN=C3N[C@H](CC4CCCC4)CS3)COC2)cc1 1926728941 QFOMHUMSORSUOS-RUZDIDTESA-N 449.664 5.099 30 10 IKEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(C)cc(Br)c1F 1927527885 GPRRAFRFDOLCKU-KRWDZBQOSA-N 442.373 5.040 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(Br)ccc1Br 1935890672 JLNIZXRHBQFQKC-HNNXBMFYSA-N 446.183 5.669 30 10 IKEE CC[C@H](NC(=O)OC(C)(C)C)[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccc(OC)cc1 1941062895 ZQZRYJLVEHJQGT-FDDCHVKYSA-N 433.549 5.022 30 10 IKEE C#Cc1ccccc1[C@@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 1952066298 NQKKRFWCLIOFOX-RUZDIDTESA-N 425.484 5.113 30 10 IKEE CCCN(CCC#N)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)CC 1985180665 XBDKOJPDJJWEQG-CLOONOSVSA-N 447.579 5.092 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@]1(C#N)CN(Cc2ccccc2)C2(CCC2)C1 2037915061 RXDWCACKUKCKBC-HHHXNRCGSA-N 437.628 6.037 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2ccc(NC(=O)OC(C)(C)C)nc2)c1 2050053378 KFWFBBZVHYNKSN-IBGZPJMESA-N 438.528 5.743 30 10 IKEE CCC(=O)/C=C/c1cc(Br)c(OCc2c(F)cccc2Cl)c(OC)c1 2060406128 HGPCKOLUSHTNSN-BQYQJAHWSA-N 427.697 5.822 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C12CCCC2 2072186510 WKZFSTQHMHPDKI-XMMPIXPASA-N 445.535 5.393 30 10 IKEE Fc1c(F)c(F)c(-n2nc(C3CCC3)c(Br)c2C(F)(F)F)c(F)c1F 2079007478 TXBRCJOTVKEEQR-UHFFFAOYSA-N 435.112 5.617 30 10 IKEE CC[C@H](c1ccc(C2CC2)cc1)n1nc(C2(C)CC2)c(C#N)c1I 2079041989 BTZWAFIDOSQKOM-QGZVFWFLSA-N 431.321 5.288 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@H](C#N)c1c(Cl)cccc1Br 2094994160 DGLTVJFOYXFARR-MRXNPFEDSA-N 439.712 6.248 30 10 IKEE N#Cc1ccc(Nc2ccc(Br)c(Br)c2)c(F)c1Br 2129401570 DXVKUDOHMXAFDW-UHFFFAOYSA-N 448.915 5.728 30 10 IKEE CCCCCCCCCCNc1ccc(Cl)c(I)c1Cl 2150347348 XVZGYTIBLKKBKB-UHFFFAOYSA-N 428.185 7.151 30 10 IKEE C=CCN(CC[C@H](Cc1ccc(F)c(Br)c1)NCCC)C(=O)OC(C)(C)C 2155517777 YEKDANVUYMPZTQ-QGZVFWFLSA-N 443.401 5.312 30 10 IKEE COc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)c(C)n1 2157051976 RYXCWXFKCQROTB-QGZVFWFLSA-N 432.318 5.168 30 10 IKEE CCN(c1ccc(Br)cc1C#N)[C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 2174808246 LREPDIPBQWFTOM-QAPCUYQASA-N 436.394 5.231 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc2c1CN(c1cccc(Br)c1C#N)CC2 2174814934 NVDMAVHYEJYDRY-UHFFFAOYSA-N 428.330 5.230 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Br)cc1Cl 2222733673 VVNUVFHTYSKZFJ-IRXDYDNUSA-N 431.802 5.613 30 10 IKEE CCCCCCCC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2229114595 SJUPOKJQOJMQMT-SFHVURJKSA-N 426.395 5.815 30 10 IKEE C=CCC[C@H](NCCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229122436 GAKUNNZGGVVSDX-OALUTQOASA-N 425.411 5.219 30 10 IKEE C=CCC1([C@H](NCC)c2cc(Cl)c(Cl)c(Cl)c2)CN(C(=O)OC(C)(C)C)C1 2232512841 OWJDDZNFTCGYMT-QGZVFWFLSA-N 433.807 6.111 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](CC(=O)C#Cc1ccccc1Br)c1ccccc1 2235727315 KXOJJPGGIXTSRK-FQEVSTJZSA-N 428.326 5.026 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1c(Cl)cc(Br)cc1Cl 2248150397 XJBOFHZHPWTVSZ-LJQANCHMSA-N 429.185 6.180 30 10 IKEE Cc1cccc(N=C2NC(=O)C(=Cc3ccc(Sc4nc5ccccc5[nH]4)o3)S2)c1 2294010983 WDDOOQVKKGTHIE-UHFFFAOYSA-N 432.530 5.507 30 10 IKEE O=C(C=C(Nc1ccc(Br)cc1)C(F)(F)F)c1ccc(Br)cc1 2296679743 JKPZBHYOSUHICB-UHFFFAOYSA-N 449.064 5.953 30 10 IKEE O=C(C=CNc1ccccc1NS(=O)(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 2297341372 OXDWGZIBHOXAEB-UHFFFAOYSA-N 447.343 5.603 30 10 IKEE CCOc1cc(C=C2SC(=Nc3nccs3)N(C3CCCCC3)C2=O)ccc1O 2314543139 WLMBNVKMZNHPSR-UHFFFAOYSA-N 429.567 5.184 30 10 IKEE C=C(C)CSc1nnc(CC)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2321000341 LCWULJCSHVABMN-UHFFFAOYSA-N 426.973 5.623 30 10 IKEE CCCCCCCCCOc1ccc(C=Nn2c(S)nnc2CCOC)cc1OCC 2321911805 YOXNHOZXSJFQSN-UHFFFAOYSA-N 448.633 5.166 30 10 IKEE CCc1ccc(C(=O)C=Cc2c(OCc3ccccc3Cl)ccc3ccccc23)cc1 2322353563 HORILXNSJKOQAB-UHFFFAOYSA-N 426.943 7.531 30 10 IKEE COc1cccc(C=CC(=O)c2cccc(Br)c2)c1OCc1ccccc1C 2322466267 KIZOKFJOROHBFZ-UHFFFAOYSA-N 437.333 6.241 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1)c1cccc2ccccc12 2322724659 JLSHHIVBSWOCPI-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE Cc1ccc(NC(=O)COc2ccccc2C=CC(=O)c2ccc(C(C)C)cc2)c(C)c1 2322724920 VJFZJJDRHURLAK-UHFFFAOYSA-N 427.544 6.340 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc1OCc1ccccc1C 2323288995 FHYRSGGUULJSNG-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE CCCOc1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2cccs2)C3=O)cc1 2323460616 MJLWGZBCSZTJFW-UHFFFAOYSA-N 446.524 6.080 30 10 IKEE Cc1cc(OC(=O)C=Cc2ccc(C(C)C)cc2)cc2c1C(=O)C(=Cc1ccccn1)O2 2323503802 HOOMTYBISKCYQB-UHFFFAOYSA-N 425.484 5.748 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3c(F)cccc3Cl)c(OC)c2)cc1 2323647720 MOIJTKOSLRXWMR-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE CCCOc1ccc(C=NNc2nc(-c3ccccc3OC)cs2)cc1Br 2323840731 PPTOKLBOEZISOU-UHFFFAOYSA-N 446.370 5.816 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Cl)c1OCc1cc(C)ccc1C 2323953089 WRAHOJJPEYHGBS-UHFFFAOYSA-N 448.990 7.447 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(O)c3CN3CCC(Cc4ccccc4)CC3)C2=O)cc1 2324029762 PUEFMVXVIYTBIU-UHFFFAOYSA-N 439.555 5.772 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c(C)c1C 2324295024 NCFYQFNRCCULAS-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE Cc1cccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccc(F)cc4)cc(C)c3C2=O)c1 2324319712 BUEWLYXSENHTLM-KRWDZBQOSA-N 431.463 5.465 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1ccc(C)cc1)C2=O 2324335585 NADIZSKJTQCWIT-LJQANCHMSA-N 441.527 5.888 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1C)OC(=Cc1ccco1)C2=O 2324339231 NCILLIFZRKAQCJ-KRWDZBQOSA-N 431.488 5.481 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCCCOc4ccc(Cl)cc4)cc(C)c3C2=O)c1 2324561094 QHGCJEKDCNJFIX-UHFFFAOYSA-N 434.919 6.421 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)ccc1OCc1ccc(C)cc1 2324588777 YNGTUTDNGJZMGC-UHFFFAOYSA-N 428.572 7.085 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(OC)c(OC)c3)c2)cc1 2325704125 LQRUTFYDNNELDL-UHFFFAOYSA-N 446.499 5.390 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2ccc(F)c(C)c2)cc1OC(=O)C1CCC1 2325741743 VWUZCSSXZCUPCU-UHFFFAOYSA-N 447.300 5.507 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2ccc(C)c(C)c2)cc1OC(=O)C(C)C 2325760235 APWMUANHJSDOEG-UHFFFAOYSA-N 431.326 5.532 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccc(CC)cc1 2326075183 OTFKGRGUTXJTLG-UHFFFAOYSA-N 441.000 5.666 30 10 IKEE CCc1nnc(SCc2ccc(C)cc2)n1N=Cc1cc(Br)ccc1OC 2326296111 OXQMQDYGNDYAFJ-UHFFFAOYSA-N 445.386 5.095 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1c(C)n(CC)c2ccccc12 2326415897 DPFPXEKRAPFDQL-UHFFFAOYSA-N 445.636 6.305 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2ccccc2F)cc1 2329278095 ZGAFDXZXDMCGPU-UHFFFAOYSA-N 432.524 5.191 30 10 IKEE C=CCSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1ccc(C(F)(F)F)cc1 2329436541 XMUWNOKZMCRJBZ-UHFFFAOYSA-N 430.499 5.665 30 10 IKEE Cc1cccc(C=Nn2c(SCc3cccc(C)c3)nnc2-c2ccccc2Cl)c1 2329551434 VMFILZGFFWUZJQ-UHFFFAOYSA-N 432.980 6.390 30 10 IKEE CC(=Cc1cccc(Cl)c1)C(=O)N[C@@H](C(=O)Nc1ccc(C#N)cc1)c1ccccc1 2330518937 KJBBDQQKCCUGDH-HSZRJFAPSA-N 429.907 5.111 30 10 IKEE Cc1ccccc1CSc1nnc(-c2cccs2)n1N=Cc1cccc2ccccc12 2330538331 KCFSDFJQUKFNOE-UHFFFAOYSA-N 440.597 6.643 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3ccc(F)cc3)nnc2-c2cccs2)c1 2330541140 MKXHMZPNWINTNQ-UHFFFAOYSA-N 438.553 5.719 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C(F)(F)F)c([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 2330601940 XIPPBNULNOXNTF-UHFFFAOYSA-N 441.361 5.626 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)C=Cc1ccccc1[N+](=O)[O-])[C@H](C)CC 2330664498 BNVWSAPONYDQRS-HYBUGGRVSA-N 445.604 5.396 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccccc3Cl)cc2Cl)c1 2330913327 LTTPOCNDTGEUFG-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1)c1cccc(Cl)c1 2331117638 PVGBHLIPWJXRSZ-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2cccc(F)c2)nnc1-c1ccco1 2331187582 DNTUHUNSJPNWAL-UHFFFAOYSA-N 436.512 5.641 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OCC)cc2)cc(OC)c1OC(=O)C1CCCC1 2331211402 XVCWFTYCAMNJDK-UHFFFAOYSA-N 434.532 5.814 30 10 IKEE Fc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2-c2ccco2)c(F)c1 2331225396 RWULLXMISIRBGG-UHFFFAOYSA-N 430.867 5.644 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(Cl)cc2)c(Cl)c1 2331358532 JBCQNMMLSXBDLM-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2ccccc2C)c(C)c1 2331416063 LCONYHKZUQLXPN-UHFFFAOYSA-N 435.597 5.114 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(CC(C)C)nnc1SCc1ccccc1 2331453772 HYMFUEWNLITBJK-UHFFFAOYSA-N 430.577 5.813 30 10 IKEE Cc1cccc(CSc2nnc(C3CCC3)n2N=Cc2ccc(Cl)c([N+](=O)[O-])c2)c1 2331498152 NMLWFQZXQJTNPE-UHFFFAOYSA-N 441.944 5.590 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)C2CCCC2)c(Cl)c1 2331548414 BRIRLVZMYYTMSK-UHFFFAOYSA-N 440.967 6.638 30 10 IKEE COCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(Cl)cc1Cl 2331563367 JLIHNGBEPRJWDD-UHFFFAOYSA-N 425.316 5.045 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(Cl)c3)c([N+](=O)[O-])c2)cc1C 2331707235 BAMHKGVXNCLURD-UHFFFAOYSA-N 435.863 5.980 30 10 IKEE CCCN(C[C@H](C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2339574883 ONMKSLKRIRHCRG-JKGDOXCYSA-N 446.397 5.141 30 10 IKEE CCC[C@](C)(COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339586822 LGYHHBSEWSLSAY-XMMPIXPASA-N 446.397 5.189 30 10 IKEE C[C@@H](CCCN(C)C(=O)OC(C)(C)C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339593948 NAYHUEHNQUFZSX-SFHVURJKSA-N 446.397 5.141 30 10 IKEE O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1ccc([N+](=O)[O-])cc1)Nc1ccccc1N2 20885644 SMJGNOKPHVFSNP-GKVSMKOHSA-N 445.906 6.228 30 10 IKEE O=C1C[C@@H](c2cccc3ccccc23)C2=C(C[C@H](c3ccc(Cl)c(Cl)c3)CC2=O)N1 21226824 OEGXJZBQQFFILZ-LPHOPBHVSA-N 436.338 6.151 30 10 IKEE Cc1noc2c1[C@@H](c1ccc(Cl)cc1Cl)C1=C(C[C@@H](c3ccccc3O)CC1=O)N2 33026463 CEDOFBNGFVTUKT-XUSGNXJCSA-N 441.314 5.954 30 10 IKEE O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(Sc2nc3ccccc3[nH]2)o1 33349561 LWDUSPVLVHAFCZ-GZTJUZNOSA-N 436.493 5.338 30 10 IKEE CCN(CC)c1ccc(/C=C(\C(=O)c2ccc(OC)cc2)c2nc3ccccc3o2)cc1 33442543 QMWPTFQSFOYQBC-PTGBLXJZSA-N 426.516 6.106 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C(=O)/C=C/c3c(Cl)cccc3Cl)cc2)cc1 34954051 DTDUBNPEQCOIRH-BUHFOSPRSA-N 427.283 6.117 30 10 IKEE C=CCOc1cccc2c1cc(C(=O)N[C@H](C)CC)n2Cc1ccc(C(F)(F)F)cc1 35912881 HXNWCHLLHIUWOA-MRXNPFEDSA-N 430.470 5.802 30 10 IKEE C=CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc(C)cc2)c1 39824449 LAAJAELOMDDNPZ-RUZDIDTESA-N 437.495 5.412 30 10 IKEE Cc1cc2c(n1-c1ccccc1)CC(C)(C)C/C2=N\OC(=O)[C@@]12CC[C@@](C)(C(=O)C1)C2(C)C 39853087 SDNDGHGIRALUGE-ACKJRHLGSA-N 446.591 5.791 30 10 IKEE CCCCCCn1c2ccccc2c2nnc(N/N=C/c3ccc(Br)o3)nc21 64981575 SDUDFTXSOSJDQG-LPYMAVHISA-N 441.333 5.361 30 10 IKEE CCCCCCCC(=O)NC(=S)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 100170717 SQQPHCNFFLLPGF-SFHVURJKSA-N 425.598 5.351 30 10 IKEE COc1ccccc1CN1Cc2cc3c(C)ccc(C)c3nc2S/C1=N\C[C@H]1CCCO1 101500646 YAFRQDZKKMPZOU-MJAPIOKUSA-N 447.604 5.503 30 10 IKEE O=C(/C=C\NNc1ccc(Cc2ccc(Cl)cc2Cl)nn1)/C=C\c1ccccc1 102676110 LVHQKFUUCNWOFK-IEMYJEBPSA-N 425.319 5.087 30 10 IKEE COc1cccc(/C=N\Nc2nc(-c3ccc(C)cc3C)cs2)c1OCc1ccccc1 169940787 RVTNCQJENSSOLD-DICXZTSXSA-N 443.572 6.461 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(C)cc2)=C(O)C(=O)N1c1cccc(C)c1C 169944208 WRXJSTABWAFSQL-XMMPIXPASA-N 427.500 5.403 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccc2OC)c(C)c1 169946011 FKBXCQMQQFRNKP-XMMPIXPASA-N 443.499 5.104 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(O)cc2)c1C 169960974 WPSQFAHCSNNQQE-QFIPXVFZSA-N 433.891 5.445 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 170029463 WZOUXYKXSOSIEG-DEOSSOPVSA-N 427.500 5.485 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccccc2C)cc1 170030178 WNHZQUDHAULLRA-OAQYLSRUSA-N 448.544 5.250 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2)c1 170036392 HWINHLLMEAIVAT-JOCHJYFZSA-N 433.891 5.522 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccc(F)cc2)c1 170061350 SXRDQVBGEAYILJ-QFIPXVFZSA-N 446.434 5.134 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cc(C)cc(C)c3OC)=C(O)C(=O)N2c2ccccc2)cc1 170113450 ZRGWOQFBVZXTGI-QHCPKHFHSA-N 443.499 5.104 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(O)cc1)c1cccc2ccccc12 170131665 ZHBAHDRTRKGZBL-XMMPIXPASA-N 439.442 5.467 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2Cc2ccncc2)c1 170145110 JXDGHVVDRPYALL-RUZDIDTESA-N 434.495 5.322 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(C)c2)c1 170148625 ZGYOIQOUSAXIEU-NRFANRHFSA-N 425.912 5.178 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccccn1)c1cccc2ccccc12 170169468 GRTSOMWJOBETSB-HSZRJFAPSA-N 442.421 5.296 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccccn2)c1 170170239 JQEIQAMTPAHWHT-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(Cl)c3)[C@@H]2c2cccnc2)c1 170185618 JWJNZHFREDJRBF-FQEVSTJZSA-N 439.298 5.480 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccncc2)ccc1OC(C)C 170198316 YGFGPBRQRLDKEP-QFIPXVFZSA-N 448.544 5.017 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@@H]1c1ccccc1 170223839 WRMSYNVHMWGHGJ-XMMPIXPASA-N 443.499 5.104 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccccc2)c1C 170225899 UKDXPGBBRBHLAQ-RUZDIDTESA-N 441.527 5.874 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2ccccc2)cc1Cl 170227424 WBDUNHHAPOLSBV-QFIPXVFZSA-N 449.890 5.140 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccccc1F)c1ccc2c(c1)CCCC2 170250506 APNBYUZHUXXKTQ-QHCPKHFHSA-N 431.463 5.076 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2Cc2ccco2)cc1 170266285 GAFJKRIAEQMMPN-VWLOTQADSA-N 441.527 5.499 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(C)cc4)[C@@H]3c3ccco3)oc12 170287750 TXXBDZKJMPUXKP-OAQYLSRUSA-N 429.428 5.126 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)c(OC)cc3C)[C@@H]2c2ccc(C)o2)cc1 170301559 XYKDGFBMEWSIBO-QHCPKHFHSA-N 447.487 5.005 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1c(C)[nH]c2ccccc12 170311760 ZLQHGDVTPNZFDW-HSZRJFAPSA-N 427.504 5.336 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1sccc1C 170314762 QWJKZAGKFQWLNM-LJQANCHMSA-N 439.920 5.501 30 10 IKEE Cc1[nH]c2ccccc2c1[C@@H]1C(C(=O)c2ccco2)=C(O)C(=O)N1c1ccc(Cl)cc1 170404643 YMEYEGUGWGVTQV-OAQYLSRUSA-N 432.863 5.506 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1c[nH]c2ccccc12 170422923 APASPRFLRADJIR-JOCHJYFZSA-N 444.512 5.017 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(OCC(C)C)cc2)cc1 170427925 GVCJNPOSIYZGNE-QHCPKHFHSA-N 447.487 5.106 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(C)c(C)c2)ccc1OC 170440098 XUDJADVRVFFBSS-XMMPIXPASA-N 437.536 5.226 30 10 IKEE ON=C1CCC=CCCC=CCC[C@H]1Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 254698158 PNKVELXQIAPQHQ-XMMPIXPASA-N 444.600 7.766 30 10 IKEE CCCCCCC[C@H](NCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 406957233 PHVPUTCPEZVWHL-IBGZPJMESA-N 427.427 6.807 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1ccc(Br)cc1 526802849 OPPTWXSTOYXRIE-QRVIBDJDSA-N 447.377 5.697 30 10 IKEE CCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1ccc(Cl)c(Cl)c1 526805560 IUCXKQUYHHYACX-MXAYSNPKSA-N 447.435 6.619 30 10 IKEE Clc1ccc(CC/N=C2/NCCCCCCOc3ccccc3Oc3ncccc32)cc1 643570646 MMRRPFRMCBJQGN-UHFFFAOYSA-N 449.982 6.059 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@H](C#N)CN(C(=O)OC(C)(C)C)C(C)(C)C 698902799 LLVVKVQGGZRPOJ-GOSISDBHSA-N 435.540 5.495 30 10 IKEE COC1(OC)CCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 704570523 BIDPOGSZEBBYEG-LJQANCHMSA-N 439.350 5.016 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2cc(F)ccc2Br)cc1 710708376 OEHZIJQGJXPBAE-SFHVURJKSA-N 435.293 5.603 30 10 IKEE CO[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](C#N)[C@]2(O)C1 1076482235 IKAYYSYGCHKPAB-ZXUAAYSUSA-N 443.716 6.987 30 10 IKEE CCN1C(=O)/C(=C/c2cccc(OCc3ccc(C)cc3)c2)SC1=Nc1cccc(C)n1 1772730437 CKIWGVHDONVVLV-BMBZWDQTSA-N 443.572 5.901 30 10 IKEE CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(C)cc2)SC1=Nc1cccnc1 1772730529 BOJRBDWOIUIDMI-YOIRLTMBSA-N 429.545 5.593 30 10 IKEE C/C(=C1\SC(=Nc2nc(C)cs2)N(C2CCCCC2)C1=O)c1ccc(Cl)cc1 1772736206 IREXALMUGFUKTE-UQIYEGRLSA-N 432.014 6.432 30 10 IKEE CCCCCCn1c(O)c(N=Nc2ccc(OCC)cc2[N+](=O)[O-])c(C)c(C#N)c1=O 1772741448 NGESLUNUVQAKMR-UHFFFAOYSA-N 427.461 5.037 30 10 IKEE N#Cc1ccc(COc2cccnc2NC(=O)N2CCC(Cc3ccccc3)CC2)cc1 1858827971 UIRVYDFOMMYVJP-UHFFFAOYSA-N 426.520 5.019 30 10 IKEE N#Cc1cccc(NC(=O)Oc2ccc(CNC(=O)c3cc(Cl)cc(Cl)c3)cc2)c1 1858911815 XSPRINYFSLASTI-UHFFFAOYSA-N 440.286 5.406 30 10 IKEE N#Cc1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1 1859386119 XIVGPQYIWULTCC-UHFFFAOYSA-N 433.298 5.970 30 10 IKEE CCOC(=O)c1sc(NC(=O)c2ccc3nc(-c4cccs4)oc3c2)c(C#N)c1C 1859736188 PNICXENZWLXVTB-UHFFFAOYSA-N 437.502 5.227 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccccc2OC)n(-c2ccc(Cl)c(Cl)c2)n1 1862336876 UJTGQQNCSWBURR-UHFFFAOYSA-N 442.346 5.669 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2C)cc1 1862389992 SHLYHWWAEVWSKG-DEOSSOPVSA-N 445.584 6.178 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc(OCC)cc2)cc1 1862393389 VAAYOQCXFLURIT-VWLOTQADSA-N 449.591 6.052 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 1862396894 ILMMSRVNDVZCCY-OAQYLSRUSA-N 445.481 6.035 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2cccc(O)c2)cc1C 1862400313 AXXIEHVSSHERDD-XMMPIXPASA-N 449.547 5.400 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@H](C)CC)cc1 1862419848 YUFRJPBJILKHCZ-SZNDQCEHSA-N 429.463 5.130 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)c1 1862444562 AWJZQJPLIVIXQC-UPKQVVFYSA-N 439.939 5.506 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc(Cl)c1 1862476248 GOVKQKUZNFFXRH-HSZRJFAPSA-N 439.983 6.587 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2c(Cl)cccc2Cl)cc1 1862482585 RITNYFRZTWVLTA-HXUWFJFHSA-N 448.346 5.043 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862502383 YGLKJDUQLBQQKS-XMMPIXPASA-N 435.539 5.998 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cccc2ccccc12 1862505661 QWWIFUBMPYILJP-XMMPIXPASA-N 431.507 6.056 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccc(O)cc2)ccc1F 1862508133 XNBZIXWDMOUAKF-MWTRTKDXSA-N 431.463 5.179 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862508756 PRKKKDRPKBBHJP-IBGZPJMESA-N 435.417 5.531 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(O)cc1 1862529415 FXIZMSYTONSOJK-XMMPIXPASA-N 435.564 5.893 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccccc2Cl)cc1 1862535154 AQFCNRHMCBNUIX-FQQGMQMYSA-N 437.967 6.059 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862594138 AHLZEAGOZYJDJX-DEOSSOPVSA-N 445.490 5.433 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2[C@@H](C)CC)c1 1862654248 KMVOFSXVWPCIFE-BXKMTCNYSA-N 429.516 5.615 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(N(CC)CC)cc1 1862657395 DISLJNJWTZALLC-VWLOTQADSA-N 440.543 5.450 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(Cl)cc1Cl 1862657542 GBQARMSUQVLEGY-FQEVSTJZSA-N 426.299 5.745 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1Cl 1862675077 AZUUEZNDCKFIDJ-XMSQKQJNSA-N 443.946 6.416 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 1862678090 NXVYKPSHBRLJHI-JOCHJYFZSA-N 439.527 5.127 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc(O)c1 1862713563 QZMGUQCEQMJYKN-LAMXGVLKSA-N 441.527 5.702 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C(C)C)c1 1862718887 FNSKPYQQFJEOIK-DEOSSOPVSA-N 429.516 5.615 30 10 IKEE CCCCCCCCN1C(=O)C(NCCc2cccs2)=C(c2c[nH]c3ccccc23)C1=O 1863817373 HUEZFKCFNUGPBP-UHFFFAOYSA-N 449.620 5.502 30 10 IKEE Cc1ccc([C@@H](C#N)NC(=O)c2cccc(N3COc4ccc5ccccc5c4C3)c2)cc1 1868024291 QPNKJTHLAWHCMN-AREMUKBSSA-N 433.511 5.499 30 10 IKEE CC(C)(C)c1ccc(-c2nc(Nc3ccc(C#N)cc3)cc(N3CCC[C@@H](CO)C3)n2)cc1 1868552435 CNGVTUBUQQRPJZ-HXUWFJFHSA-N 441.579 5.265 30 10 IKEE CC(C)SCc1cc(=O)c(OCc2ccc(C#N)cc2)cn1Cc1ccc(Cl)cc1 1870232812 KUJMHWHJUWXISQ-UHFFFAOYSA-N 438.980 5.642 30 10 IKEE CCCCCCCOc1cn(Cc2cccc(C)c2)c(CNc2cc(C)cc(C)c2)cc1=O 1870836221 PVKOSSNUIDQNKF-UHFFFAOYSA-N 446.635 6.783 30 10 IKEE C=CCn1cc(OCc2c(F)cccc2Cl)c(=O)cc1CNc1ccc2cc[nH]c2c1 1871089660 WMQAWEZISIXTSX-UHFFFAOYSA-N 437.902 5.499 30 10 IKEE CCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CNc1ccc(C)cc1C 1871258387 SAUCMQLFRVFOSU-UHFFFAOYSA-N 426.645 6.863 30 10 IKEE Cc1ccccc1-c1ccc(NS(=O)(=O)c2oc(-c3ccc(Cl)cc3)nc2C#N)cc1 1871282143 RPWBLCNUMMTXFX-UHFFFAOYSA-N 449.919 5.643 30 10 IKEE CCCCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(Cl)c(Cl)c1)C3=O 1871351909 GZCOHTAPSUTBMN-MTJSOVHGSA-N 432.347 6.342 30 10 IKEE CCCCC[C@H](CC)N1COc2c(cc3c(c2C)O/C(=C\c2ccc(C(C)C)cc2)C3=O)C1 1871353563 SRYKFCWSVMKXQU-NMKJEIPESA-N 447.619 7.245 30 10 IKEE Cc1cc(OC(=O)/C(Cl)=C/c2ccccc2)cc2c1C(=O)/C(=C/c1ccccc1F)O2 1871377217 ADXWZTNAORPRTK-TYGDXWFBSA-N 434.850 5.936 30 10 IKEE O=C(/C=C/c1ccc(-c2ccccc2)cc1)Oc1ccc2c(c1)O/C(=C\c1cccnc1)C2=O 1871383314 OPOPOXGECSUJOJ-ZMOUGSKESA-N 445.474 5.984 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc(-n4cccc4)cc3)cc(C)c2C1=O 1871384003 KCHRJNPJHYCGHK-XYGWBWBKSA-N 435.479 5.930 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OC(=O)CCc3cccs3)cc(C)c2C1=O 1871391701 FCPAVIVPHTUMAD-HMAPJEAMSA-N 434.513 5.610 30 10 IKEE COc1cccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4Cl)ccc3C2=O)c1 1871405828 QKPWAADNXJIKRU-VRHSPDTKSA-N 449.890 5.371 30 10 IKEE C[C@H](Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O)C(=O)Nc1cc(Cl)cc(Cl)c1 1871410390 ZPVWMTFYVMXDBU-XGTDKWECSA-N 444.270 5.609 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871411731 PYLVZCHYKYKSCX-AUECSSBPSA-N 439.511 5.827 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1cc(C)c2c(c1)O/C(=C\c1ccccc1C)C2=O 1871429130 IYXLLMUTOKDUNL-ZKFYFQMZSA-N 436.548 6.201 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1cc(C)ccc1C 1871992213 WEYBRUNQYGUDSC-QHCPKHFHSA-N 442.625 5.294 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccc(C)cc1 1872446614 JDBLTYMVBPWGRN-DEOSSOPVSA-N 442.625 5.493 30 10 IKEE N#C[C@H](C(=O)/C=C/c1cccc(Cl)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872759333 KTICNPGWZYDEQV-VTJDKEBTSA-N 440.955 7.020 30 10 IKEE CCc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)cc1 1872765139 IJTKBYWGSMLMAF-NRFANRHFSA-N 434.561 5.725 30 10 IKEE Cc1cc(C)c(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccc(C(C)C)cc3)n2)c(C)c1 1872785886 BISGHJORCPDQSR-SIKLNZKXSA-N 432.589 6.503 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)Cc2ccccc2[N+](=O)[O-])n1 1872786851 ULCDVNHJGNGYCQ-MRXNPFEDSA-N 441.896 5.108 30 10 IKEE C=CCc1ccccc1OCc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 1872870613 KGAWRTCDRDDGGX-UHFFFAOYSA-N 446.978 5.610 30 10 IKEE C=CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCCCCCC)C1=O 1873169769 GMURTWPCOBKZCZ-UHFFFAOYSA-N 433.596 5.310 30 10 IKEE C=CCN1C(=O)C(Nc2cccc(OC(C)C)c2)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873276464 IPOAVWSZBNUCOE-UHFFFAOYSA-N 438.527 5.519 30 10 IKEE CCOc1ccccc1/C=N/Nc1cnn(-c2ccc(Cl)c(Cl)c2)c(=O)c1Cl 1873529082 MKCSKUYPROGTSO-AUEPDCJTSA-N 437.714 5.037 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1cccc(F)c1)n2CCOC 1873621275 ODLAQTJOFUHSNR-UHFFFAOYSA-N 441.551 5.242 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)c(C)c2)cc2c(NCc3ccccc3F)ncnc21 1873636933 GAKSRZXVHZVHDW-UHFFFAOYSA-N 449.917 5.583 30 10 IKEE CCCCC1CCC(c2nnc(SCc3cccc(C)c3)n2/N=C/c2ccncc2)CC1 1874285503 JPUNFIVVLBCAJJ-MTDXEUNCSA-N 447.652 6.620 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccccn1 1874297447 CHJBIJBMKKKIMN-MZJWZYIUSA-N 447.539 5.183 30 10 IKEE C=C(C)CSc1nnc(COc2c(C)cccc2C)n1/N=C/c1ccc(C(C)(C)C)cc1 1874300178 BTHXAGZIKQHDTB-JFLMPSFJSA-N 448.636 6.322 30 10 IKEE C=CCSc1nnc(CCc2cccc(OC)c2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874310915 ULRYRWFQQXRUIQ-ZVHZXABRSA-N 447.391 5.539 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2-c2ccccc2Cl)c1 1874365305 VYDLXDWTVXTAIK-CVKSISIWSA-N 448.979 6.090 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2[C@H](C)c2ccccc2)cc1 1874393598 RHRJCIAUXGAMFH-BWJYWGHISA-N 430.552 6.052 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@@H](C)c3ccccc3)n2/N=C/c2ccccc2C)c1 1874395899 YAVDZAKQXVTKOE-YGYFLSRZSA-N 440.616 6.530 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCCC)cc1 1874413606 CGXDIEHODJSCAH-HAVVHWLPSA-N 428.627 5.884 30 10 IKEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3cccc(C)c3)nnc2-c2cccs2)cc1 1874421882 JJTMJADTEPPZMV-ZVHZXABRSA-N 447.589 5.236 30 10 IKEE O=C(O)c1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2-c2ccccc2)cc1 1874428503 LXARZXMMVCPCAG-AFUMVMLFSA-N 448.935 5.471 30 10 IKEE C=CCSc1nnc([C@H]2CCCO2)n1/N=C/c1ccc(OCc2ccccc2C)cc1 1874448764 LKRVONYDBLHPPW-NJRDNMGOSA-N 434.565 5.177 30 10 IKEE Fc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C2CCCC2)c1 1874457197 FWRLXUYERQAXNE-BRJLIKDPSA-N 449.382 6.556 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1cccc(C)c1 1874479976 BXBPIJKVUIRZIQ-ZMOGYAJESA-N 433.408 6.410 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C(C)(C)C)cc1OC 1874485352 PXDVZWLREPLWAM-ZMOGYAJESA-N 444.988 5.421 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCc2ccc(F)cc2)cc1 1874577741 CRCQVAVXOJZKNV-MDWZMJQESA-N 440.898 6.362 30 10 IKEE O=C(COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(F)cc1)NC1CCCCC1 1874584094 WGTRXJIHWZPJAC-FOCLMDBBSA-N 431.507 5.703 30 10 IKEE CCCOc1ccc(Br)cc1/C=C/C(=O)c1cc(OC)c(Cl)cc1OC 1874587369 JOZWOVVJNBOYDV-FNORWQNLSA-N 439.733 5.805 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cccc(OC)c1OCC(=O)OCC(C)C 1874589137 VSRWWSCQJKUSLZ-MDZDMXLPSA-N 446.927 5.140 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3ccc(Cl)cc3)c2)cc1 1874593583 RFKPYZATEDRTCK-MHWRWJLKSA-N 434.963 7.166 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OCC(=O)NC1CCCCC1 1874603222 QBUVYMADLGUENY-RVDMUPIBSA-N 447.575 5.298 30 10 IKEE C=CCOc1c(Br)cc(/C=C/C(=O)c2ccc(CCCC)cc2)cc1OC 1874607490 QQGHJCMVHSLQDB-JLHYYAGUSA-N 429.354 6.261 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(C)cc1 1874610794 LGODYHTVQBVFCU-KPKJPENVSA-N 437.879 6.040 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCC(=O)N[C@@H](C)c1ccccc1 1874616843 WBOPSTKUZSETPB-RNTFSAEZSA-N 429.516 5.156 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3C)c(OCC)c2)cc1 1874616943 BKXMBDARXQWEEK-MHWRWJLKSA-N 430.544 6.658 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(F)c(C)c3)cc2Cl)cc1 1874618644 LQDDSWNMZYLBCO-VZUCSPMQSA-N 437.898 6.010 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OCc1ccccc1 1874626957 FFHKUFAZTNNIJX-WYMLVPIESA-N 444.571 7.001 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OCc1cccc(Cl)c1 1874631714 QIRLHEKDJIXJIT-CSKARUKUSA-N 441.354 7.094 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cccc(OC(=O)c2ccccc2Br)c1 1874698579 DHVZUZZKFMNSRO-BUHFOSPRSA-N 437.289 5.573 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)c1)c1ccc(Cl)cc1 1874700883 QXAXFCNPSLAFLQ-GTGIDHPJSA-N 437.322 6.599 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OC(=O)[C@H]1C[C@H]1c1ccccc1Cl 1874703120 ZTEXAEFSCBDZCO-FUURPURISA-N 446.930 6.262 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1cccc(/C=C/C(=O)c2ccc(F)c(C)c2)c1 1874703953 PCESVNFGFKQLCW-SDNWHVSQSA-N 434.463 5.413 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OC(=O)c1ccc([N+](=O)[O-])cc1 1874708037 JGNIHOOZCZHDLN-LNKIKWGQSA-N 445.471 5.842 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3ccc(Cl)c(C)c3)c2)cc1C 1874714519 ZUGVXJDCPCIUSZ-XYOKQWHBSA-N 434.919 6.146 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OC(=O)c1ccccc1Cl 1874716590 ZMZAYUAOURMUKI-PKNBQFBNSA-N 434.919 6.389 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2c(F)cccc2Cl)cc1)c1cccc([N+](=O)[O-])c1 1875085236 WFSPYNCOFHWTMM-FMIVXFBMSA-N 425.799 5.503 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1OCC 1875098117 SWEORHUGUYRHRK-SDNWHVSQSA-N 440.967 6.609 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(Cl)c1OC(=O)c1ccncc1 1875102391 SWEUFDKVSUZWGF-BQYQJAHWSA-N 437.879 5.258 30 10 IKEE COc1ccc(CC(=O)Oc2c(Cl)cc(/C=C/C(=O)c3ccccc3)cc2OC)cc1 1875127638 PPTUIXQUQBGREQ-JLHYYAGUSA-N 436.891 5.401 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3Cl)c(OC)c2)cc1 1875131035 FGMKZLJFVUPBOQ-RIYZIHGNSA-N 436.891 5.863 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2Cl)cc1 1875133383 RYNJOMPYFRMEEC-OQLLNIDSSA-N 448.946 6.481 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c(Cl)c2)ccc1F 1875141619 NFWVQSOXGQNMBJ-WEVVVXLNSA-N 439.826 5.811 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc([N+](=O)[O-])c1OC(=O)CC 1875149481 SKNCZZCOEGZAPR-MDWZMJQESA-N 425.481 5.503 30 10 IKEE CCCC(=O)Oc1c(OCC)cc(/C=C/C(=O)c2cccc3ccccc23)cc1[N+](=O)[O-] 1875154439 FHTDXWLTSDVNJV-BUHFOSPRSA-N 433.460 5.748 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])c(Cl)c2)cc1 1875155769 SRJSEJSNJSYPIC-NTUHNPAUSA-N 449.890 6.487 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(F)c(F)c1 1875158878 RMHOKISEAHHNMY-QDEBKDIKSA-N 426.390 5.618 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cc(Cl)ccc2Cl)cc1)c1ccc(F)c(F)c1 1875161706 DCZWNGIAKZBRLW-XCVCLJGOSA-N 433.237 6.387 30 10 IKEE CCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1[N+](=O)[O-] 1875165540 NBWMHMLTRVVIIC-OQLLNIDSSA-N 431.444 5.989 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)c1sccc1C 1875190687 LXIKJRPFACEPFS-XVNBXDOJSA-N 447.339 6.487 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)CCc3ccccc3C(F)(F)F)ccc21 1890620260 DFROOBJQTSCSJA-UHFFFAOYSA-N 446.469 5.214 30 10 IKEE CC(C)(C)OC(=O)NCC[C@H]1CC[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 1933917136 MGVDGVONWCTLBH-CLOONOSVSA-N 443.588 5.401 30 10 IKEE 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)CC1 2023552494 SCDNFRRJHAKFAX-MDOVXXIYSA-N 449.514 5.152 30 10 IKEE C=CCCCCCCCC[C@H](N)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2026312755 JNBMCYIHCQIMSI-YFNKSVMNSA-N 432.649 6.119 30 10 IKEE CCCCCCCCC[C@@H](O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2041885850 BXCDORYQNLBAPZ-SHQCIBLASA-N 447.660 6.332 30 10 IKEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2045241767 ULEVNZGZNRWZDM-BXKMTCNYSA-N 447.551 5.497 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C[C@@H]1C1CC1 2073783319 VRTLXIIXEDKSTK-NLFFAJNJSA-N 441.572 5.500 30 10 IKEE Cc1nn([C@H](c2ccc(C(F)(F)F)cc2F)C2CCC2)c(Br)c1C=NO 2079877433 YDRXIQLQUJOQDI-HNNXBMFYSA-N 434.231 5.310 30 10 IKEE CC(C)[C@H](c1ccc(C(F)(F)F)cc1F)n1nc(C2CC2)c(C#N)c1Br 2079896432 ITFFCYDDQHKXDS-MRXNPFEDSA-N 430.243 5.798 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H](c2c(C3CCCC3)nn3c(Cl)c(C#N)cnc23)C1 2081258959 IMBWPOYFZUWYGO-OAHLLOKOSA-N 429.952 5.026 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc(CCNc2ccc(C#N)c(Br)c2F)c1 2162342662 DGWPRYMCFFOMSJ-UHFFFAOYSA-N 434.309 5.461 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2cc(Br)c(C#N)cc2F)C12CCCC2 2162386603 DOZKSSCQNWLIIN-QGZVFWFLSA-N 438.341 5.194 30 10 IKEE CC(C)(C)OC(=O)N1CCCC12CCC(C#N)(Nc1cccc(Br)c1)CC2 2167914140 CVFAUYLZZPQYEZ-UHFFFAOYSA-N 434.378 5.467 30 10 IKEE C=C1CC(C[C@H](NCC)[C@@H](Cc2ccc(Br)cc2)NC(=O)OC(C)(C)C)C1 2182134630 GSNDOMVRNUITKW-VQTJNVASSA-N 437.422 5.219 30 10 IKEE O=C1C=C(c2sc(Br)c(Br)c2Br)CCCC1 2212190888 DDNAAJBTUXMBRG-UHFFFAOYSA-N 428.971 5.562 30 10 IKEE C=CCCCCCCC[C@H](N)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2227269451 ZZPAGFSTONYOEC-NDEPHWFRSA-N 443.631 7.761 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Br)c([C@@H](O)C#Cc2ccc(Cl)cc2)c1 2230986892 OAKSJJZOALHFAT-SFHVURJKSA-N 436.733 5.535 30 10 IKEE CCCN[C@@H](C#CP(C)(C)=O)c1cc(Cl)c(NC(=O)OC(C)(C)C)c(Cl)c1 2233747376 CMULUOYGXJSQFD-INIZCTEOSA-N 433.316 5.965 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)CC[C@@H](CC)NC(=O)OC(C)(C)C 2235747888 UMNANYDGPOPHOB-MOPGFXCFSA-N 437.422 5.252 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CN(CC1CCCC1)C(=O)OC(C)(C)C)NCCC 2250558068 FTFBPSPPIZJZBV-XMMPIXPASA-N 430.633 5.555 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)C2CCC2)cc1Cl 2255544151 UTYCDLPUBMUDRH-UHFFFAOYSA-N 439.792 5.143 30 10 IKEE C=C(COCc1ccccc1)[C@]1(OCCN)CN(Cc2ccccc2)C2(CCCCC2)C1 2263012080 FJRPXVHFBNXHGI-MUUNZHRXSA-N 434.624 5.082 30 10 IKEE N[C@H](C#Cc1ccccc1F)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2266602806 IVNRMAWJPZGAKX-HHHXNRCGSA-N 437.514 6.035 30 10 IKEE C[C@@H](NC(=O)OC(C)(C)C)c1cccc(NC(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)c1 2267122374 KHLPMVXKRIXRCL-NXHRZFHOSA-N 444.381 5.083 30 10 IKEE CC(C)(C)OC(=O)NCc1ccc(Cl)cc1Nc1ccc(C#N)cc1Br 2268702096 SZSAUIYPKZHOHG-UHFFFAOYSA-N 436.737 5.742 30 10 IKEE C=C(C)CCCC[C@@H](NC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2287381119 WBSVVZVAAIMKGG-WOJBJXKFSA-N 439.438 5.609 30 10 IKEE C=C(C)CCCC[C@@H](NCC)[C@@H](O)c1scc(Br)c1Br 2287393058 VBUOOOWXIJIGCN-TZMCWYRMSA-N 425.230 5.421 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NC)c1cc(Br)cc(C(C)(C)C)c1 2288665360 FYSJAYBKXNDVON-RBUKOAKNSA-N 439.438 5.867 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@H](C)CN(CC)C(=O)OC(C)(C)C 2296219253 MHOWMQJYVVZOQD-YLJYHZDGSA-N 437.422 5.062 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H](CC)CCNC(=O)OC(C)(C)C 2296302898 PDJVCBNOCCLANL-ICSRJNTNSA-N 437.422 5.110 30 10 IKEE C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=NO)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 2297475076 IBHLVHLIYYDTRV-MUZFUWECSA-N 439.728 8.494 30 10 IKEE CCC(=NN=c1[nH]c(C(F)(F)F)c(-c2ccc(Cl)cc2)s1)c1ccc(Cl)cc1 2297710250 KYMJBVGHUPUWHD-UHFFFAOYSA-N 444.309 6.784 30 10 IKEE O=C1NC(=Nc2ccc(F)cc2)SC1=Cc1ccc(-c2cccc(Cl)c2Cl)o1 2313558198 VKEMWJUEVIFQFS-UHFFFAOYSA-N 433.291 6.284 30 10 IKEE COc1ccc2c(c1)OC(=Cc1cccc(OC(=O)c3ccc(C(C)(C)C)cc3)c1)C2=O 2314527108 FOBCUMCJGFLKQQ-UHFFFAOYSA-N 428.484 5.828 30 10 IKEE O=C1C(=Cc2cccc3ccccc23)SC(=Nc2ccncc2Cl)N1c1ccccc1 2314541879 CWOIIWVSRVWRAV-UHFFFAOYSA-N 441.943 6.697 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Cl)cc(Br)c1F 2315456518 SRTBOOKMGAAGJM-HOCLYGCPSA-N 435.765 5.362 30 10 IKEE CCCCCCCCCOc1ccc(C=NNc2cnnc(O)c2Cl)cc1OCC 2318415402 POWSBYAFBLUOFW-UHFFFAOYSA-N 434.968 5.810 30 10 IKEE C=C(C)CN1C(=O)[C@H](C)Oc2ccc(NC(=O)C=Cc3ccc(Cl)cc3Cl)cc21 2320464712 DRFVRXUWRYRMFX-AWEZNQCLSA-N 431.319 5.335 30 10 IKEE Sc1nnc(CCc2ccccc2)n1N=Cc1cccc(OCc2cccc(Cl)c2)c1 2321900080 RPNRGXOYDAGOMN-UHFFFAOYSA-N 448.979 5.467 30 10 IKEE C[C@H](c1ccccc1)c1nnc(S)n1N=Cc1cccc(OCc2ccccc2Cl)c1 2321962572 PRNUCGROVOSDLX-QGZVFWFLSA-N 448.979 5.833 30 10 IKEE CCCCC[C@H](CC)N1COc2ccc3c(c2C1)OC(=Cc1ccc(C(C)C)cc1)C3=O 2322071910 DWBIRXURXWTEKC-QFIPXVFZSA-N 433.592 6.937 30 10 IKEE CCCCCOc1ccccc1C=Nn1c(S)nnc1CCCOc1cccc(C)c1 2322172209 ZGUGHEGBWWHEGH-UHFFFAOYSA-N 438.597 5.338 30 10 IKEE CCc1ccc([C@H](C)N2COc3ccc4c(c3C2)OC(=Cc2ccccc2OC)C4=O)cc1 2322259923 IAGJTHBISOCEED-SFHVURJKSA-N 441.527 5.787 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1c(F)cccc1Cl)C3=O)CN(C1CCCCC1)CO2 2322328595 CXUAUFRPXHLFMM-UHFFFAOYSA-N 427.903 5.888 30 10 IKEE Cc1ccc(C)c(CN2COc3c(cc4c(c3C)OC(=Cc3ccccc3F)C4=O)C2)c1 2322412908 IJYJSYXQPRNRSF-UHFFFAOYSA-N 429.491 5.719 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccccc2Cl)cc1C 2322415529 GOLDAMVEMUYTFU-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(Br)ccc1OCc1ccccc1 2322638397 IUSJDAXVAKRRLI-UHFFFAOYSA-N 437.333 6.241 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1ccccc1Cl)c1ccc2c(c1)OCO2 2322698951 ZBNUJYBGRFSMQI-UHFFFAOYSA-N 427.283 6.197 30 10 IKEE Cc1c(OC(=O)c2ccc3c(c2)OCO3)ccc2c1OC(=Cc1ccccc1Cl)C2=O 2322775579 YADPMBUJLFZKRA-UHFFFAOYSA-N 434.831 5.213 30 10 IKEE CCc1ccc(NC(=O)COc2cccc(C=CC(=O)c3ccc(OC)c(F)c3)c2)cc1 2323202506 CZGKDPRUWHGKLI-UHFFFAOYSA-N 433.479 5.310 30 10 IKEE CSc1nnc(COc2ccccc2)n1N=Cc1ccccc1OCc1ccc(C)cc1 2323584986 VGYLDELAGSTEBN-UHFFFAOYSA-N 444.560 5.349 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OCc1cccc2ccccc12 2323733504 VMVNVGMNMNBPMN-UHFFFAOYSA-N 444.477 6.992 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)ccc1OCc1cccc(Cl)c1 2324054914 IWOBOQPHIWTLRZ-UHFFFAOYSA-N 436.891 5.595 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OCC(=O)Nc1cccc(C)c1 2324455464 ZQIPJBHCAQEPCK-UHFFFAOYSA-N 443.543 5.924 30 10 IKEE CCOc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C)o2)C3=O)cc1 2324522196 AGLQQLFJSLJVPT-QGZVFWFLSA-N 447.487 5.317 30 10 IKEE Cc1c(OCCCOc2ccc(Cl)cc2)ccc2c1OC(=Cc1ccccc1F)C2=O 2324561109 SAMSQEZNNXEERF-UHFFFAOYSA-N 438.882 6.252 30 10 IKEE CCCCCCOC(=O)COc1ccc2c(c1C)OC(=Cc1ccccc1OCC)C2=O 2325031386 NPXZOWYSJUUVTL-UHFFFAOYSA-N 438.520 5.512 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(Cl)cc4)cc(C)c3C2=O)cc1 2325513710 JYAOFRWBCHRHNO-UHFFFAOYSA-N 447.918 5.845 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(Cl)c(Cl)c2)c1)c1cccc([N+](=O)[O-])c1 2325684181 VCFLXCHOCFICNH-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE CCOc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2C)C3=O)cc1 2325705483 OCFZGAVCEDUEIV-UHFFFAOYSA-N 443.499 5.336 30 10 IKEE COc1ccc(OCCCC(=O)Oc2cccc(C=CC(=O)c3cccc(OC)c3)c2)cc1 2325707537 NAPWVCPQLDHVKS-UHFFFAOYSA-N 446.499 5.365 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC(=O)CCc3cccc(OC)c3)c2)cc1 2325712601 DCKHVVFUQIDCGS-UHFFFAOYSA-N 442.555 6.472 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1)c1ccc(Cl)cc1 2325730771 UWYPYSQYOLWFPG-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cccc(F)c3)c2)cc1 2325738877 DMYLPSPOJONFSN-UHFFFAOYSA-N 434.463 5.738 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1cccc(C=CC(=O)c2cccc3ccccc23)c1 2325749903 RLLHXPKEERIUFC-UHFFFAOYSA-N 438.479 5.972 30 10 IKEE CCCCCCCCC(=O)Oc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC 2325750440 FRDNNKKAVYURCT-UHFFFAOYSA-N 436.592 7.371 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)[C@@H](C)c2ccccc2)c1 2325764102 PZVCBLYXGUCMAX-SFHVURJKSA-N 434.919 6.262 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccccc1Cl 2326091510 BOSUQIMEEKZFCC-UHFFFAOYSA-N 449.407 5.981 30 10 IKEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@H](C2CCC2)C1 2326266079 ZUKHAABETLJKFT-NVQXNPDNSA-N 442.600 5.088 30 10 IKEE CCCSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1ccccc1Cl 2326405869 MMPBCMDDNDVMHI-UHFFFAOYSA-N 443.016 5.944 30 10 IKEE CCc1nnc(SCc2ccccc2Cl)n1N=Cc1cccc(Cl)c1Cl 2326546545 GTCCDQHNHIRLDK-UHFFFAOYSA-N 425.772 5.975 30 10 IKEE Cc1ccc(COc2ccccc2C=Nn2cnnc2SCc2ccc(C#N)cc2)cc1 2326660475 OQVBDMAXJGAEES-UHFFFAOYSA-N 439.544 5.212 30 10 IKEE C=CCSc1nnc(CCOc2ccccc2)n1N=Cc1ccc(Cl)c(Cl)c1 2329207030 JMAUIXAECHPXTI-UHFFFAOYSA-N 433.364 5.367 30 10 IKEE Fc1cccc(CSc2nnc(CC3CCCCC3)n2N=Cc2ccccc2Cl)c1 2330251228 ADQSRSNUYJWCRS-UHFFFAOYSA-N 442.991 6.368 30 10 IKEE Clc1cccc(CSc2nnc(Cc3cccs3)n2N=Cc2cccnc2)c1 2330440412 XJQGGRBTNKNGNL-UHFFFAOYSA-N 425.970 5.153 30 10 IKEE Oc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2-c2ccccc2)cc1O 2330692638 WWHJFVCBBXRVPX-UHFFFAOYSA-N 436.924 5.184 30 10 IKEE Cc1cccc(CSc2nnc(CC(C)(C)C)n2N=Cc2c(Cl)cccc2Cl)c1 2330821956 LZYVXXUKTSLAJX-UHFFFAOYSA-N 447.435 6.656 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2F)n1N=Cc1c(F)cccc1Cl 2330844959 CRVIWPQPFWIGSI-UHFFFAOYSA-N 434.943 5.973 30 10 IKEE C=CCSc1nnc(CC(C)(C)C)n1N=Cc1ccc(OCCCCC)c(OC)c1 2330855586 ZQNVEAHZGNEKAN-UHFFFAOYSA-N 430.618 5.605 30 10 IKEE Cc1ccccc1CCC(=O)Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1[N+](=O)[O-] 2330934252 XTEXCBIIRNKMFO-UHFFFAOYSA-N 449.890 5.991 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3sccc3C)c(OC)c2)cc1 2330951247 CGOCRJOIQJZVPU-UHFFFAOYSA-N 442.920 5.842 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)c1ccccn1 2331115872 GEWHOPGHGADHRB-UHFFFAOYSA-N 428.271 5.512 30 10 IKEE Oc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C(F)(F)F)c(O)c1 2331149902 QDXSIMFFPZFOAF-UHFFFAOYSA-N 444.438 5.036 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)c1ccccc1 2331155309 RCYAAXWSJOYFBP-UHFFFAOYSA-N 432.903 6.192 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)c1cccc(C)c1 2331335808 OPFMKJHWLIFCDR-UHFFFAOYSA-N 434.463 5.575 30 10 IKEE CCOc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2)cc1OC 2331512391 DLTWWLANWOECJE-UHFFFAOYSA-N 448.490 5.667 30 10 IKEE CCCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccc(F)c(F)c2)cc1OC 2331565591 WMJDRJQPWIVCPA-UHFFFAOYSA-N 439.252 5.338 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OC(=O)Cc1ccc(F)cc1F 2331569520 LLLWBPNPBLUBAC-UHFFFAOYSA-N 444.380 5.296 30 10 IKEE COCc1nnc(SCc2cccc3ccccc23)n1N=Cc1c(F)cccc1Cl 2331595203 ZPMHBYNWKOWQHX-UHFFFAOYSA-N 440.931 5.545 30 10 IKEE Fc1ccc(CSc2nnc(C3CC3)n2N=Cc2ccc(Br)cc2)cc1 2331726440 KRTYIDVSTCTHLA-UHFFFAOYSA-N 431.334 5.232 30 10 IKEE COCCC(=O)Oc1c(OC)cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1OC 2331788245 DZVXLZFOPZATJP-UHFFFAOYSA-N 440.536 5.148 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc4ccccc4n3C)cc2)cc1Cl 2331818717 AVSRFVNOCQATJD-UHFFFAOYSA-N 445.902 5.956 30 10 IKEE N#Cc1nc(-c2ccc(Br)o2)oc1NN=Cc1ccc(Cl)cc1Cl 2331936441 CZUFBIPWKFMWDD-UHFFFAOYSA-N 426.057 5.322 30 10 IKEE CC[C@H](C[C@H](C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339578818 MTVOOFSDOVOIKR-QZASHXROSA-N 446.397 5.187 30 10 IKEE CCCN[C@@H](C#C[C@@H]1CC1(C)C)c1cc(Br)ccc1I 2365094613 YCERDJJTUOTXFY-WBMJQRKESA-N 446.170 5.144 30 10 IKEE CC(C)c1ncccc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2367980357 IFYBLPYICQDEBK-GOSISDBHSA-N 430.346 5.974 30 10 IKEE CC1(C)OB(c2ccc(CSCCCCCC3CC3)cc2Br)OC1(C)C 2377317126 OBQMAOLOGYPZAX-UHFFFAOYSA-N 439.268 5.952 30 10 IKEE Cc1cc2nc(-c3ccc(/N=C/C=C/c4cccc(Br)c4)cc3)oc2cc1C 1878339 QIDWNTMDEVZCRT-ZLNXDXECSA-N 431.333 7.290 30 10 IKEE O=C1/C(=C\c2ccc(Cl)cc2Cl)CCCC/C1=C\c1ccc(Cl)cc1Cl 8441186 RVCZFIMQQWQFTP-CKOAPEAFSA-N 426.170 7.910 30 10 IKEE C=C(C)COc1ccc(NC(=S)NC(=O)c2ccc(OCCCCCC)cc2)cc1 9696921 XUKHMYFJYXDDBS-UHFFFAOYSA-N 426.582 5.727 30 10 IKEE CCCCCn1c(SCC#N)nc2cc(C(=O)Nc3cc(C)cc(C)c3)ccc2c1=O 9775430 BGHJXMKAJKNRHN-UHFFFAOYSA-N 434.565 5.072 30 10 IKEE C=CCSC1=N/C(=C\c2ccc(OCC)c(OC)c2)C(=O)N1c1ccc(F)c(Cl)c1 20152154 LGYCUKMPRHGPTJ-WQRHYEAKSA-N 446.931 5.549 30 10 IKEE Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(O)c([N+](=O)[O-])c2)cc1 21218364 KZCSKTPJXRONOA-DWXRJYCRSA-N 441.487 5.588 30 10 IKEE O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@H](c1c(F)cccc1Cl)Nc1ccccc1N2 21258430 HDCLNFPEROVSAP-BZQUYTCOSA-N 436.889 6.598 30 10 IKEE Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)NC2CCCC2)cc1 21722111 RSGYACKTUAFCNT-SANMLTNESA-N 443.591 6.264 30 10 IKEE O=C1CCCC2=C1[C@H](c1cccs1)N(C(=O)Nc1ccc(F)cc1)c1ccccc1N2 21722354 UXMJPCZSTGZVAR-QHCPKHFHSA-N 433.508 6.100 30 10 IKEE Cc1ccc(C)c(N/C(=N\C(=O)c2ccc(C)c(F)c2)NCCc2c[nH]c3ccccc23)c1 32943340 UXQMGWAAOZIMEI-UHFFFAOYSA-N 442.538 5.673 30 10 IKEE CCCn1cc(CN/C(=N/C(=O)c2ccc(C)c(F)c2)Nc2cc(C)cc(C)c2)c(C)n1 32973016 FOQBHRKWIBFUOS-UHFFFAOYSA-N 435.547 5.064 30 10 IKEE CCn1nc(C)c(CCN/C(=N/C(=O)c2cc(C)cc(C)c2)Nc2cccc(C)c2C)c1C 32973384 LZFICVUBBBLQOV-UHFFFAOYSA-N 445.611 5.194 30 10 IKEE CCCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)S/C1=N/c1ccc(OCC)cc1 33293769 JQFLEOSSGQGCKX-NEHLPSIOSA-N 426.538 5.117 30 10 IKEE C=Cc1ccc(COc2ccc3c(c2)O/C(=C\c2ccc(-c4ccccc4)cc2)C3=O)cc1 33370150 GBUUJFHURGDPEM-MIXAMLLLSA-N 430.503 7.192 30 10 IKEE COc1ccc(/C=C\C(=O)c2cc(C)ccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 33442212 KMLLDMKCWPJFHI-WZUFQYTHSA-N 447.443 5.036 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(-c4ccccc4)cc3)cc2)c1 34954583 KMAMZVOJWOOUIO-XDHOZWIPSA-N 434.491 6.478 30 10 IKEE C/C(=C1/S/C(=N/c2nnc(C)s2)N(C2CCCCC2)C1=O)c1ccc(Cl)cc1 39866576 JRVAFOQRCPFKTO-RORPNGENSA-N 433.002 5.827 30 10 IKEE C=CCOc1cccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccccc2)c1 39876734 DBAGTOWZAZXWJH-QHCPKHFHSA-N 427.431 5.247 30 10 IKEE COc1cc(/C=C2\Oc3c(ccc(OCc4ccc(C)cc4)c3C)C2=O)cc(OC)c1OC 41433231 FMKYQEVDVUBEOD-UUYOSTAYSA-N 446.499 5.524 30 10 IKEE C=CCn1c(SCC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)nnc1-c1ccco1 45643321 HJQZCUIZDVKPKK-GFCCVEGCSA-N 437.352 5.000 30 10 IKEE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)Nc1ccccc1SCC 59047965 YRUAJLGETGYSMS-UHFFFAOYSA-N 438.622 5.092 30 10 IKEE CCCCCCCCCCCCN1C(=O)[C@@](O)(CC(C)=O)c2c(Cl)ccc(Cl)c21 101321589 LDZDIDYDIXTGCJ-HSZRJFAPSA-N 442.427 6.428 30 10 IKEE CCCCCCCCCCn1c(CCNC(=O)c2ccccc2OC)nc2ccccc21 102138632 NGUDGYBQMYKZDH-UHFFFAOYSA-N 435.612 6.158 30 10 IKEE Cc1nc(C)c2c(C)c(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)sc2n1 108024253 BJPRYNQRWRAPTO-UHFFFAOYSA-N 444.535 5.470 30 10 IKEE CCOc1ccc(-c2nc3cc(N/C=C4\C=C(Cl)C=C([N+](=O)[O-])C4=O)ccc3o2)cc1 136919611 MANUHCURBQWQPA-WYMLVPIESA-N 437.839 5.055 30 10 IKEE C=CCOC[C@H](O)CN(Cc1cccn1Cc1ccc(C(C)(C)C)cc1)[C@@H](C)C(C)C 169677855 NFTQYVKTVWIWRA-BKMJKUGQSA-N 426.645 5.244 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\Nc2nc(C)c(C)c(=O)[nH]2)cc1OCC 169896022 SEWMRTPNLYHIMF-UQQQWYQISA-N 428.577 5.361 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2cc(C)cc(C)c2)cc1 169922250 FVFVCRXQAUNCKS-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2cccc(C)c2)c1 169966644 OPSREVZRZIROSU-SANMLTNESA-N 441.527 5.496 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc([N+](=O)[O-])cc2)=C(N2CCc3ccccc32)C1=O 169979176 HLYOJJKXBCCCPC-UHFFFAOYSA-N 447.535 5.098 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@H]2c2cccnc2)c1 170008269 ASVIREWZEGBPEH-DEOSSOPVSA-N 436.467 5.026 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccncc2)cc1Cl 170021697 FPLQSMPVBXOXLY-HXUWFJFHSA-N 439.298 5.480 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)cc2)cc1 170059105 KTQAESHHJSWWRX-JOCHJYFZSA-N 432.907 5.076 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1c[nH]c2ccccc12)c1ccc(Cl)cc1 170073697 YTOGEDHRMIOZRB-JOCHJYFZSA-N 446.865 5.743 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2cccc(C)c2)cc1 170141366 HAZKDVFDPUHTDW-DEOSSOPVSA-N 443.499 5.272 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2Cc2ccco2)c1 170143934 XLAFCHVLEWZBPZ-HXUWFJFHSA-N 442.298 5.673 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2CCCN(C)C)c1 170146173 WCZWULXWXWHMJA-DEOSSOPVSA-N 448.607 5.131 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@@H]1c1ccccc1OC(C)C 170151101 FDLOFSDXHJJJAW-NRFANRHFSA-N 443.927 5.124 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)cc1 170159651 DCGWKLIRTMSWEJ-QFIPXVFZSA-N 433.529 5.628 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2cccs2)cc1 170159715 UWWIITBOAKAQJE-HSZRJFAPSA-N 425.509 5.993 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccs2)c1 170163739 VCPYTSMOQJQMDK-OAQYLSRUSA-N 425.550 5.448 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccncc2)cc1C(C)C 170204423 NMRXDEHCTRWVBP-XMMPIXPASA-N 442.515 5.305 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccccc2)cc1C 170225147 LAFLKYWDWZABTO-AREMUKBSSA-N 437.539 5.965 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccccc1F)c1cccc2ccccc12 170251619 ROBASDXKQALLOB-DEOSSOPVSA-N 429.491 5.890 30 10 IKEE Cc1cccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2nc3ccc(C(C)C)cc3s2)c1 170462467 VSJDSMUGTWQTGS-QHCPKHFHSA-N 448.588 6.243 30 10 IKEE Cc1nc2ccc(C(=O)Nc3oc(-c4ccccc4)c(-c4ccccc4)c3C#N)cc2nc1C 170522202 FMFHEBRRNZSUAW-UHFFFAOYSA-N 444.494 6.298 30 10 IKEE CSc1nc(Nc2ccc(C)c(Br)c2)c(C#N)c(-c2cccc(Cl)c2)n1 244357452 XUEACONUIRWJQX-UHFFFAOYSA-N 445.773 6.205 30 10 IKEE O=C1Nc2ccc(Cl)cc2/C1=C1/SC(=Nc2ccccc2)N(c2ccccc2)C1=O 252625623 QNTRTJMGXWKNAD-SQJIKLJKSA-N 431.904 5.471 30 10 IKEE COc1cccc(-c2n[nH]c(=S)n2N=Cc2ccc(OCc3ccccc3)c(OC)c2)c1 254609218 ZHPSZZSUZUNKQM-UHFFFAOYSA-N 446.532 5.086 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2c(C)[nH]c3ccccc23)cc1 526603822 PCTFZPMEGJSMFE-SANMLTNESA-N 449.510 5.804 30 10 IKEE CCOc1ccc([C@H]2C(c3cccc4ccccc34)=C(O)C(=O)N2c2ccccc2C#N)cc1 526610600 NVSWPGBVCLRVSF-MHZLTWQESA-N 446.506 6.167 30 10 IKEE Cc1cc(C)cc(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccc(O)cc2)c1 526809657 QHDRGPSSIWYEGW-PKAZHMFMSA-N 442.588 5.560 30 10 IKEE CCn1c(C)c(/C=N\n2c(C)nnc2SCc2c(F)cccc2Cl)c2ccccc21 526817639 RXAVREBIFQMTDL-ROTLSHHCSA-N 441.963 5.837 30 10 IKEE CCOc1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccccc2Cl)cc1 586225183 KKKGLIXGUOSQOU-UHFFFAOYSA-N 426.925 5.006 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(CCCC#N)c2ccc(F)c(Cl)c2)cc1 586232938 XGGQJKQJHQXGQB-UHFFFAOYSA-N 436.980 6.101 30 10 IKEE CCOc1cc([C@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)ccc1OC(F)F 698376811 MXSVHZIIMVGGPT-SFHVURJKSA-N 432.467 5.689 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1cc(F)cc(Cl)c1 698410564 ZGERERXMSKPFCZ-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@@H](C#N)c1ccc(Cl)cc1Br 698472156 QTYYDCQPEWJDEP-BBRMVZONSA-N 429.742 5.083 30 10 IKEE COc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)cc1Br 698851675 AJBDTUDPIRUYBU-GOSISDBHSA-N 437.378 5.982 30 10 IKEE CCCCCCCCCC[C@@H](CCN(Cc1ccccc1)C(=O)OC(C)(C)C)NCCC 701327069 MAOLYMSFEHYETQ-SANMLTNESA-N 446.720 7.713 30 10 IKEE C#CCCCCC[C@H](NCCC)c1ccc(I)c(Br)c1 721608231 FJCZTTDYNCAJFX-KRWDZBQOSA-N 448.186 5.678 30 10 IKEE COc1cccc(C=Nc2ccc3nc(SCc4ccc(Cl)cc4)sc3c2)c1O 1083995749 IWHMSIUPZLAGOX-UHFFFAOYSA-N 440.977 6.707 30 10 IKEE Cc1ccc(-c2nc(NN=Cc3ccccc3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 1084096148 XHRHFLPKAQTXAZ-UHFFFAOYSA-N 428.517 6.448 30 10 IKEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@@H](C)CC(C)(C)C1 1301150391 RASYDPBXXAFJAC-KRWDZBQOSA-N 434.588 5.069 30 10 IKEE CC(C)[C@@H]1CC[C@@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@@H](O)CC[C@@]34C)[C@@H]12 1307332478 FULWGFMPSBYUOW-KFWWVMEXSA-N 442.728 7.284 30 10 IKEE Cc1ccc(NC(=S)N/N=C\c2cn(-c3cccc(F)c3)nc2-c2ccccc2)cc1 1857809281 TVCGFWOMNXBUKI-YSMPRRRNSA-N 429.524 5.307 30 10 IKEE CCOc1ccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)nn2-c2ccc(OC)cc2)cc1 1859407463 QXBQYSOWYCTHDP-UHFFFAOYSA-N 438.487 5.071 30 10 IKEE N#Cc1cccc(C(=O)Oc2ccc(C3CCN(C(=O)CC4CCCCC4)CC3)cc2)c1 1860701870 OEDJOXFDGNXSGZ-UHFFFAOYSA-N 430.548 5.454 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)/C=C/c1ccccc1Cl 1861557208 FIATYLSQEXVPRP-KIYMODEPSA-N 435.052 6.285 30 10 IKEE CCCCCCCCNC(=O)C(C)(C)NC(=O)c1ccc(OCCCC)c(OCC)c1 1861748434 VKALBLNZSHEJGW-UHFFFAOYSA-N 434.621 5.249 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@H]2c2ccccc2)cc1C 1862400283 AIUIOBNTTJALGU-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862408378 KOKMSGQNRZSREI-XCLFUZPHSA-N 448.346 5.687 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1Cl 1862432037 UYFBEQSLPKGVFQ-OAQYLSRUSA-N 438.310 5.772 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2c(F)cc(F)cc2F)=C(O)C(=O)N1[C@H]1CCCC[C@@H]1C 1862456686 XMPZOVFUNSMTHZ-OSGPJOMKSA-N 443.465 5.569 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(O)cc2)cc1 1862474872 XNBCFSOITFARRL-CJAUYULYSA-N 441.527 5.603 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccccc2Cl)cc1 1862476412 KNIOQHDNKSJXAP-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(F)cc2F)c1 1862491246 OGQFUXYRSJNMEB-HSZRJFAPSA-N 433.454 5.360 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1c(Cl)cccc1Cl 1862498993 VQXVZDSJNRAXGU-HXUWFJFHSA-N 448.346 5.225 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc3ccccc23)ccc1F 1862505045 IWMIDELPVKENIO-VWLOTQADSA-N 443.518 6.198 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccccc1Cl 1862527062 NUNWTOFLCPVBGQ-KRWDZBQOSA-N 434.717 5.089 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)c1 1862532944 HVCFZTHVHUGYMN-FMNCTDSISA-N 447.575 5.805 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(F)cc2F)cc1 1862533572 KEYKUSXIMHSKMP-HSZRJFAPSA-N 439.502 5.828 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(C(C)(C)C)cc1 1862549557 RIPIJKDSQMMRIZ-IQGLISFBSA-N 445.603 6.240 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(Cl)cc1 1862590861 AEFVKKZRWXZKGF-QRQCRPRQSA-N 433.891 5.385 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccccc1 1862605247 PELIVKYHDARCKM-HYBUGGRVSA-N 449.547 5.395 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(N(C)C)cc1 1862615770 NIFAPTFAENYZQI-DEOSSOPVSA-N 448.607 5.675 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1ccccc1 1862637407 YADJUXVGNHJVNR-CVDCTZTESA-N 439.527 5.772 30 10 IKEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccccc1Cl)c1cccc2ccccc12 1862654188 WSCVOYUWYPCYFP-HXOBKFHXSA-N 447.918 5.251 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862660566 KADIGPXWUAHCLS-DEOSSOPVSA-N 446.547 5.032 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2cccs2)cc1 1862662876 MPCHCQKXWLUBAR-HSZRJFAPSA-N 447.556 5.659 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 1862690839 UWCBOCRGVSBVSU-HXUWFJFHSA-N 448.346 5.626 30 10 IKEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2ccccc2C)cc1 1862732548 ILZLGXNCRDZBRR-RUZDIDTESA-N 449.591 6.333 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)c1 1862736014 FJFPJIBYKFBDCN-GAJHUEQPSA-N 442.471 5.243 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCC2=CCCCC2)c1 1862747861 WKZLHMUQKXPBGH-HSZRJFAPSA-N 446.503 5.372 30 10 IKEE C=CCN1C(=O)C(Nc2cc(C)c(C)cc2Br)=C(c2ccc(Cl)cc2)C1=O 1863175828 HVNHPQYXOXYKAF-UHFFFAOYSA-N 445.744 5.097 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(Cl)c2)=C(c2ccccc2Cl)C1=O 1863440795 ZAFWONFTGOZIIN-UHFFFAOYSA-N 445.390 6.546 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc([N+](=O)[O-])ccc2C)=C(c2cccs2)C1=O 1863485370 ZUZPZPKZPKVSSW-UHFFFAOYSA-N 441.553 5.517 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCN(CC)CC)=C(c2ccc(Cl)cc2)C1=O 1863535581 LJGHRSFMIKGWHG-UHFFFAOYSA-N 448.051 5.102 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCc2ccccc2)=C(c2ccc(C)cc2)C1=O 1863621256 IYICDKXAGXFEMM-UHFFFAOYSA-N 432.608 5.658 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2F)C(=O)N(CCCOC(C)C)C1=O 1863640965 QIHZQGAJJVCFLQ-UHFFFAOYSA-N 446.607 5.451 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(OCCC)cc2)C(=O)N([C@H](C)CC)C1=O 1863685442 PXENGUFRUGHAQU-OAQYLSRUSA-N 442.644 6.084 30 10 IKEE C[C@@H](NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnc(-c2ccccc2F)o1 1868040278 ZPQKLQWLCMKVBF-SECBINFHSA-N 447.310 5.404 30 10 IKEE CCc1nc(Nc2ccc(C#N)cc2)cc(N2CCC[C@@H]2c2nc3ccccc3s2)n1 1868291730 VVDAKKZFZCYOEP-LJQANCHMSA-N 426.549 5.605 30 10 IKEE CCCCCCCCCCn1cc(OCc2ccc(F)cc2)c(=O)cc1CSCCO 1870170907 VRQBDPBWVAEPLU-UHFFFAOYSA-N 449.632 5.933 30 10 IKEE C=CCn1cc(OCCCC)c(=O)cc1CSc1nc2ccccc2n1-c1ccccc1 1870180902 DDFLGHVHUMGPJP-UHFFFAOYSA-N 445.588 5.844 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCC(C)C)c(=O)cc1CN1CCC[C@@H](C)C1 1870423591 DECNXMULCOXPNN-JOCHJYFZSA-N 448.648 5.019 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)NC)c(=O)cc1CNc1cccc(C)c1 1871017352 ZDNVFZANKYFVIT-UHFFFAOYSA-N 441.616 5.034 30 10 IKEE C=CCn1cc(OCC(=O)Nc2ccc(CCCC)cc2)c(=O)cc1CNc1ccccc1 1871165900 OLSCNNBPTZYAJE-UHFFFAOYSA-N 445.563 5.007 30 10 IKEE O=C1/C(=C/C=C/c2ccccc2)Oc2c1ccc1c2CN(CCc2nc3ccccc3[nH]2)CO1 1871348961 LHMJXOQOHMPCLT-WKNZXEKLSA-N 449.510 5.130 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccccc1F)C3=O)CN(CCCCc1ccccc1)CO2 1871358866 DQJCYOCBJXHHFC-XYGWBWBKSA-N 443.518 5.925 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3cc(OC(=O)CCc4ccc(C)cc4)ccc3C2=O)c1 1871366876 QXRJWHDTLOACHM-MYYYXRDXSA-N 444.483 5.167 30 10 IKEE CCOC(COc1cc(C)c2c(c1)O/C(=C\c1cccc(Br)c1)C2=O)OCC 1871415986 FMCIZGCGXAQMBO-ODLFYWEKSA-N 447.325 5.152 30 10 IKEE COc1ccc(CCOc2ccc3c(c2)O/C(=C\c2c(Cl)cccc2Cl)C3=O)cc1 1871448253 MUGKBAXFXBCTRZ-UCQKPKSFSA-N 441.310 6.240 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871450109 BPHPOULKCHHQGE-DNPFKWNUSA-N 431.488 5.735 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OCC(=O)Nc3cc(Cl)ccc3C)c2C)C1=O 1871457534 LIGXBFOVQOKQPV-FMCGGJTJSA-N 447.918 5.899 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O)Nc1cccc(Cl)c1Cl 1871458008 JXEHWJRQLJAXSX-JAIQZWGSSA-N 440.282 5.627 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(OCC)cc2)[nH]c(N2CCC(C)CC2)n1 1871529455 YTZFPIOXAMREFC-UHFFFAOYSA-N 440.636 5.445 30 10 IKEE C=CCN([C@@H](CCC)C(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1cccs1 1871942026 IEGIBRHXPHMHQT-INIZCTEOSA-N 447.409 5.039 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1cccs1 1872302129 BNIFYTUWZZESDZ-SFHVURJKSA-N 441.018 5.084 30 10 IKEE COc1cccc(OC)c1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872769093 JGSNXKNIWMZJQX-LBPRGKRZSA-N 433.316 5.624 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccccc3Cl)n2)c(OCC)c1 1872783757 HDWVKUXRGCCPPQ-SFHVURJKSA-N 440.952 5.680 30 10 IKEE N#Cc1cccc(NC(=O)c2ccc3nc(CCCOc4ccccc4Cl)[nH]c3c2)c1 1872804476 BJTFLHLWYVDLNP-UHFFFAOYSA-N 430.895 5.352 30 10 IKEE O=C(Nc1nc(-c2ccc(F)cc2)ns1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1873460876 NFZQBVXONAACSH-UHFFFAOYSA-N 435.324 5.634 30 10 IKEE Cc1ccc(COc2cccc(/C=N/Nc3oc([C@@H]4C[C@H]4c4ccccc4)nc3C#N)c2)cc1 1873470766 QDYMUUHJTIYEGB-SMKWBROGSA-N 448.526 6.151 30 10 IKEE C=CCn1c(C(=O)Nc2ccc3c[nH]nc3c2)cc2c(NCCCCCCCC)ncnc21 1873621469 SACSQJSVEFDIAN-UHFFFAOYSA-N 445.571 5.518 30 10 IKEE C=CCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1/N=C/c1cccn1C 1874193664 AQYNRWGFLITGQU-BUVRLJJBSA-N 444.004 5.059 30 10 IKEE CCCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1cccc(O)c1 1874213866 JOSCUTJWNSLFKG-HZHRSRAPSA-N 430.961 5.033 30 10 IKEE C=CCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc(C(C)C)cc1 1874232270 IGRUKOFJROJJQZ-TURZUDJPSA-N 440.616 6.500 30 10 IKEE CCCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1cccc([N+](=O)[O-])c1 1874271054 BVVAHFASDHKRRI-LFVJCYFKSA-N 431.521 5.315 30 10 IKEE CCCCC1CCC(c2nnc(SC)n2/N=C/c2cccc(Br)c2)CC1 1874286066 NLNPIUJMGYIOAO-HYARGMPZSA-N 435.435 6.109 30 10 IKEE Clc1cccc(/C=N/n2c(CCc3cccs3)nnc2SCc2ccccc2)c1 1874371614 IMPJIONXLANJJC-BUVRLJJBSA-N 439.009 5.953 30 10 IKEE Cc1ccc(/C=N/n2c(COc3ccccc3)nnc2SCc2ccc(Cl)cc2)cc1 1874385233 FTHHBHROOSQQKI-CVKSISIWSA-N 448.979 5.993 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2ccccc2O)cc1 1874387306 GGMBSLVIKYCXKX-WGOQTCKBSA-N 428.561 5.366 30 10 IKEE Cc1ccccc1/C=N/n1c(CC2CCCCC2)nnc1SCC(=O)Nc1ccccc1 1874405169 JZBCEVCMIGULOJ-YZSQISJMSA-N 447.608 5.322 30 10 IKEE C(=N/n1c(Cc2cccs2)nnc1SCc1ccccc1)\c1c[nH]c2ccccc12 1874412566 PTKWIYWIMHUTGM-MFKUBSTISA-N 429.574 5.586 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2-c2cccs2)cc1 1874424324 FPOXOBHQQSYHKC-FSJBWODESA-N 428.945 5.974 30 10 IKEE Cc1cccc(C)c1NC(=O)CSc1nnc(CC(C)(C)C)n1/N=C/c1ccccc1 1874438037 GNLXSQHPHYXVAN-MFKUBSTISA-N 435.597 5.097 30 10 IKEE COCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccccc1OC(C)C 1874473361 AUGFKLYKZSPRCH-ZVHZXABRSA-N 444.988 5.082 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc(OCC)cc1 1874478911 YSMGTMKQCODJOH-BUVRLJJBSA-N 428.989 5.847 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1cccc(OC)c1 1874511334 UICROAATUHBZCI-FSJBWODESA-N 435.380 5.721 30 10 IKEE Cc1nnc(SCc2ccccc2F)n1/N=C/c1cccc(OCc2ccccc2)c1 1874532405 HKEQRQFAACLZNH-CVKSISIWSA-N 432.524 5.479 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(Cl)cc2)c1OCC(=O)Nc1ccccc1F 1874578194 AUUSPEOTVISGPQ-SDNWHVSQSA-N 439.870 5.401 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c1OCc1ccc([N+](=O)[O-])cc1 1874582710 CBDJYIHTTKGRLC-SFQUDFHCSA-N 445.515 6.376 30 10 IKEE C=C(C)COc1ccc2ccccc2c1/C=C/C(=O)c1cc(Cl)cc(Cl)c1OC 1874586814 GJYRRVGPZPDMLE-MDZDMXLPSA-N 427.327 7.006 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccccc3)c2)c2ccccc12 1874600920 JOJSDERNSDWRBG-JQIJEIRASA-N 437.495 5.762 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Br)cc2)ccc1OCc1cccc(F)c1 1874608700 CBDVUCDKUDJTNO-VZUCSPMQSA-N 441.296 6.072 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc1 1874633584 KSJZCFHGEGITLZ-FMIVXFBMSA-N 443.971 5.581 30 10 IKEE Cc1ccc(C)c(COc2ccc(/C=C/C(=O)c3cc(C(C)(C)C)ccc3C)cc2Cl)c1 1874635701 UGLSSKWDHDBRDZ-JLHYYAGUSA-N 447.018 8.038 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3F)cc2)cc1Cl 1874636390 YKYPJRXTIQNHJL-XYOKQWHBSA-N 439.870 5.401 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(-n3cccc3)cc2)c1)c1cccc(Cl)c1 1874699033 AFXYESFUAJWRAX-NTEUORMPSA-N 427.887 6.246 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OC(=O)c1ccc(C(C)(C)C)cc1 1874699355 QTNBMDDWGKDKHI-RIYZIHGNSA-N 448.946 6.761 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cccc(OC(=O)COc3ccc(Cl)c(C)c3)c2)c1 1874703188 COTHRCCPIKOVKN-FMIVXFBMSA-N 434.919 6.146 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OC(=O)c1cc2ccccc2n1C 1874709434 HFXVPVYYWUUDHB-YRNVUSSQSA-N 447.437 5.580 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(CC)cc3)cc2)cc1 1875103844 RWKNKUJOPZLQET-WOJGMQOQSA-N 428.528 6.082 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(C)cc3C)c(OC)c2)cc1 1875115371 ZYGGHEQAGZVMHU-WUXMJOGZSA-N 446.499 5.201 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1)c1cccc(Cl)c1 1875123518 QMHYKPIZBWMTRZ-AWNIVKPZSA-N 441.708 6.218 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)[C@@H](C)c2ccccc2)c([N+](=O)[O-])c1 1875143133 KRDGQGZLZNNUCD-KSEUIEODSA-N 445.471 5.517 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1Cl 1875148115 BERQNJQNENNUTD-MHWRWJLKSA-N 426.984 7.409 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(-n4cccc4)cc3)cc2)cc1 1875156376 XLROGLRKOZITLV-CNHKJKLMSA-N 435.523 6.716 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] 1875156726 LCTNBBMAHWLADE-RIYZIHGNSA-N 429.472 6.142 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)c1ccccc1 1875162556 NZMJEJCIWQLJEK-DHZHZOJOSA-N 442.845 6.132 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3cccc(C)c3C)cc2)c(C)c1C 1875167799 NLKRBSXORZSWAT-RVDMUPIBSA-N 444.527 5.809 30 10 IKEE COc1cc(C(=O)/C=C/c2ccc(OC(=O)C3CCC3)c(Cl)c2)c(OC)cc1Cl 1875173154 BRWBGCHSNMMBLU-SOFGYWHQSA-N 435.303 5.612 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2OC)ccc1OC(=O)c1cccc(C)c1 1875176244 DDMCUUMVXAWXIL-UKTHLTGXSA-N 446.499 5.526 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2OC)ccc1OC(=O)CC(C)(C)C 1875176259 DULQFEWNNCPTCZ-XYOKQWHBSA-N 426.509 5.340 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)CSc2ccccc2)cc1 1875184056 GQEGOZHSGSHAAE-GHRIWEEISA-N 444.596 6.886 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1 1875184751 OSVBNBUODKJFAO-GHRIWEEISA-N 442.555 6.345 30 10 IKEE C=C(COCc1ccccc1)[C@H](O)c1cc(Br)cc(Br)c1OC 1922062625 MSTCHPBQUUVOON-KRWDZBQOSA-N 442.147 5.027 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1cccc(F)c1I 1922123491 AMSKLSFTZPGUCN-HXUWFJFHSA-N 439.312 5.244 30 10 IKEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1931194547 QOLNLHUHNDOJDH-RTWAWAEBSA-N 445.604 5.503 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@](C#N)(N(C(=O)OC(C)(C)C)C3CCCC3)CC[C@@H]21 1940541323 JTQKMKRIEGQSON-VUMVONDWSA-N 433.593 5.238 30 10 IKEE C=C(C(=O)O)[C@H](CCc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 1951600150 IKMWCFUARPTHTI-VWLOTQADSA-N 427.500 5.167 30 10 IKEE C=CCN(CC(=O)c1cc(Br)sc1Br)Cc1ccccc1 1956288063 MWRDVVCCQJBIRC-UHFFFAOYSA-N 429.177 5.144 30 10 IKEE CC[C@@H]1N(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1991579253 RYQLSJWIMKZTFL-HTAPYJJXSA-N 435.952 5.373 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@]1(C#N)CCN(Cc2ccccc2)C(C)(C)C1 2022263249 CPVVHEFEARVSRJ-RUZDIDTESA-N 439.625 5.822 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)C3(CC3)C2)cc1 2037541258 LNXWJFVPMZNDGD-VWLOTQADSA-N 441.572 5.562 30 10 IKEE N#Cc1ccc(Cl)cc1NC(=O)COC(=O)C(=Cc1cccs1)c1cccs1 2040422273 QVRFMZTZCIEKTR-UHFFFAOYSA-N 428.922 5.057 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C12CCC2 2053039088 CSDLPBMJLYWUGP-IQGLISFBSA-N 441.572 5.405 30 10 IKEE O=C(C=Cc1ccc2ncccc2c1)c1c(O)nc2ccc(Cl)cc2c1-c1ccccc1 2053493032 FXEHMRFQWCIMSC-UHFFFAOYSA-N 436.898 6.705 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)CC2(C)C)c1 2065978758 JFZYLMSLFYKBEH-VWLOTQADSA-N 443.588 5.666 30 10 IKEE Fc1ccc(C(F)(F)F)c(Cn2nc(C3CC3)c(C(F)(F)F)c2Br)c1 2079808543 PHWBHSXUGPVIDR-UHFFFAOYSA-N 431.149 5.748 30 10 IKEE ON=Cc1c(C(F)F)nn([C@H](c2ccc(C(F)(F)F)cc2)C2CC2)c1Br 2079943634 FJQPCKGVVLIAQA-ZDUSSCGKSA-N 438.194 5.410 30 10 IKEE Cc1cc(O)c([C@@H](n2nc(C(F)(F)F)c(C#N)c2Br)C2(C)CC2)cc1C 2080043753 ZRBXGLQDYBYLNK-OAHLLOKOSA-N 428.252 5.248 30 10 IKEE CCCOc1ccc([C@@H](C2CCC2)n2nc(C3CC3)c(C=NO)c2Br)cc1 2080060046 FOUFXVLMNWVHHL-HXUWFJFHSA-N 432.362 5.509 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(Br)ccc(Cl)c1F 2098966237 PZHHHMWJCRAHIL-RHSMWYFYSA-N 447.776 5.199 30 10 IKEE Cc1cccc(C(=O)N2CCC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)c1NC(=O)OC(C)(C)C 2124534181 HQMSPUYKCKTZME-QGZVFWFLSA-N 444.381 5.040 30 10 IKEE C=CCCCCCCC[C@@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCC 2220088340 UYMCVHXKZDIKJX-LOSJGSFVSA-N 446.676 6.381 30 10 IKEE C=CCCCCCCC[C@H](NCC)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2220094914 XQNOULDIPBVCSV-HVCNVCAESA-N 446.676 6.380 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H]1CC2(CCCC2)CCN1C(=O)OC(C)(C)C 2221311923 PIKKRLCZRJWDRA-ZEQRLZLVSA-N 442.644 5.697 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Cl)c(Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)c1 2255366592 IBIDNHANFGGGRL-UHFFFAOYSA-N 445.756 5.125 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCC(=O)O)c1ccc(Br)c(Cl)c1 2261821500 VCQUMUNLTHJXAH-IBGZPJMESA-N 425.706 5.018 30 10 IKEE CCCC#C[C@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2262317242 YDHWUYRGFLAYPK-SANMLTNESA-N 429.560 5.665 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)[C@@]2(C#N)Nc1cccc(Br)c1 2285814956 PCTICRBKUZXSCX-QTTKSITFSA-N 434.378 5.227 30 10 IKEE O=[N+]([O-])c1ccccc1C=CC=Nc1ccc2oc(-c3ccc(Br)cc3)nc2c1 2296653169 DIKPLWOAHJUXNA-UHFFFAOYSA-N 448.276 6.581 30 10 IKEE CCn1cc(C=C2Oc3cc(OCC(=O)OC(C)(C)C)ccc3C2=O)c2cc(OC)ccc21 2296871808 GQWIGWHKQSVVMS-UHFFFAOYSA-N 449.503 5.007 30 10 IKEE CCN1C(=O)C(=CC=C2Sc3ccc(Cl)cc3N2CC)SC1=Nc1ccccc1 2297707796 MGDSNVPNYWURNT-UHFFFAOYSA-N 442.009 6.280 30 10 IKEE CCN1C(=O)C(=Cc2ccccc2OCc2ccc(C)cc2)SC1=Nc1nc(C)cs1 2314543990 QQFPRDILOQWABQ-UHFFFAOYSA-N 449.601 5.963 30 10 IKEE C=C(C)CN1C(=O)[C@H](C)Oc2cc(NC(=O)C=Cc3ccc(Cl)cc3Cl)ccc21 2320465173 NOFBILSIMGYXAD-AWEZNQCLSA-N 431.319 5.335 30 10 IKEE Sc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1ccc(Cl)cc1Cl 2322260156 JSORKLJRJVWRRO-UHFFFAOYSA-N 448.162 5.642 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Br)ccc2OCc2ccccc2C)c1 2322371483 BZEAOFPTLRCASO-UHFFFAOYSA-N 437.333 6.241 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1c(F)cccc1Cl)c1ccc(Cl)cc1 2322532165 OYOJYELHHZXUOB-UHFFFAOYSA-N 435.709 7.261 30 10 IKEE Cc1cc(OC(=O)c2cccs2)cc2c1C(=O)C(=Cc1cccc(Br)c1)O2 2322667281 ASGZZIMANIQMLY-UHFFFAOYSA-N 441.302 5.654 30 10 IKEE CCCOc1c(C=CC(=O)c2ccc(OC)c(C)c2C)cc(Br)cc1OC 2322825263 QOIPCXQMSCHGKJ-UHFFFAOYSA-N 433.342 5.768 30 10 IKEE CCOc1cc(C=NNc2ccc(C)c(Cl)c2)ccc1OCc1ccccc1Cl 2322969402 BBDWGOQSQWQJQC-UHFFFAOYSA-N 429.347 6.726 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2cccc(F)c2)cc1Cl 2322981182 FKKVZPLXYAPGNK-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE C=C(C)COc1ccc(Br)cc1C=CC(=O)c1ccc(OC)c(OC)c1OC 2323032363 FXDQMZIHSJLREX-UHFFFAOYSA-N 447.325 5.326 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC)c(OC)c2Br)cc1C(C)C 2323231626 VUWFDTIKYGMHJL-UHFFFAOYSA-N 433.342 5.803 30 10 IKEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 2323298752 ANZACMOYCFRVMV-SANMLTNESA-N 442.600 5.232 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCc3nc(O)c4ccccc4n3)c(OC)c2)cc1 2323485383 YYYBIQKXENPQKW-UHFFFAOYSA-N 440.499 5.382 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OCc2ccccc2Cl)c([N+](=O)[O-])c1 2323997439 MJLHUKAQJLFNLP-UHFFFAOYSA-N 437.879 6.040 30 10 IKEE CCn1cc(C=C2Oc3c(CN4CCC[C@@H](C)C4)c(O)cc(C)c3C2=O)c2ccccc21 2324066967 MIWXNANZMJOLEB-QGZVFWFLSA-N 430.548 5.523 30 10 IKEE N#C[C@@H](C(=O)C=Cc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2324395098 YDYFQXAZANFQEZ-INIZCTEOSA-N 444.299 5.915 30 10 IKEE COc1ccc(C)cc1-c1csc([C@H](C#N)C(=O)C=Cc2ccc(C(C)(C)C)cc2)n1 2324572637 ZBYUUHHQYIKNRL-OAQYLSRUSA-N 430.573 6.314 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)ccc1OCc1ccccc1C 2324588666 AIKPVKXUVBQABB-UHFFFAOYSA-N 428.572 7.085 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OCc3ccccc3)c(OC)c2)cc1Cl 2324609752 YWZUFSYSUZSUKA-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE COc1ccc(OC)c(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)c1 2324611431 MWLFRVGRIXROEP-NRFANRHFSA-N 446.572 6.014 30 10 IKEE CCOC(COc1ccc2c(c1C)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O)OCC 2324741853 FMOSDWBMAYCDJV-UHFFFAOYSA-N 437.319 5.696 30 10 IKEE Cc1c(O[C@@H](C)C(=O)Nc2nc3ccccc3s2)ccc2c1OC(=Cc1ccco1)C2=O 2325418475 MROVSGZKODFDNB-AWEZNQCLSA-N 446.484 5.220 30 10 IKEE O=[N+]([O-])c1cccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2F)c1 2325485687 GLPBERAQDKHFOG-UHFFFAOYSA-N 447.495 5.091 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(F)c(F)c2)c1)c1cccc(Br)c1 2325721016 ZOEBNBWKTVRZJU-UHFFFAOYSA-N 443.243 5.843 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4cc(C)cc(C)c4)c3C)C2=O)cc1 2325721549 ZPJPPQYBEYYDTE-UHFFFAOYSA-N 443.499 5.254 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4cc(C)ccc4C)ccc3C2=O)cc1 2325740443 HOXGGMFCELCYHX-UHFFFAOYSA-N 427.500 5.500 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OC(=O)Cc1ccc(Cl)cc1 2325750217 HXZHMTIADBABQC-UHFFFAOYSA-N 448.946 6.516 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC(=O)c2cccc(Cl)c2)c1 2325752893 MZMSPKRBIOJMJS-UHFFFAOYSA-N 448.946 6.761 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(CCCOc2cccc(C)c2)nnc1SC 2326954873 QJYVIRWBZGLDGI-UHFFFAOYSA-N 446.576 5.364 30 10 IKEE Cc1cccc(OCc2nnc(SCCc3ccccc3)n2N=Cc2ccccc2)c1C 2328849886 CBDRUNKAZCZINI-UHFFFAOYSA-N 442.588 5.691 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(F)cc3)n2N=Cc2ccccc2C)c1 2329817060 PMIYKJQUKWZLIQ-UHFFFAOYSA-N 430.552 5.799 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccc(F)cc3)nnc2[C@H](C)c2ccccc2)c1 2330058034 VYDHMVCKPUVTED-GOSISDBHSA-N 446.551 5.752 30 10 IKEE C=CCSc1nnc(CCc2ccccc2)n1N=Cc1ccc(OCCCCC)cc1 2330201805 QAJPUCGAOBTCJQ-UHFFFAOYSA-N 434.609 5.793 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3)c(Cl)c2)cc1 2330832955 TYGNDDQZUVHWLQ-UHFFFAOYSA-N 446.974 7.117 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1C 2330855627 NAQMVDZJSUZYCF-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)ccc1OC(=O)Cc1cc(C)ccc1C 2330939257 NVGVWUSWTDJTIM-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)cc3)cc2OC)cc1 2330989907 WFHIANGPONFDMC-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)cc2)cc1)c1cccc(Br)c1 2330993924 CLQAHRKCWFUMEB-UHFFFAOYSA-N 425.253 5.704 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)Oc1ccc(C=CC(=O)c2ccccc2)cc1 2331162099 SJQOYRBCGQTDSI-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(CC)cc3)c(OCC)c2)cc1 2331208252 BYGQMDANROTQRX-UHFFFAOYSA-N 444.527 6.162 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2-c2ccco2)cc1 2331211372 SCTUDEAQGYMFLE-UHFFFAOYSA-N 436.968 6.489 30 10 IKEE O=C(Cc1ccccc1)Oc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1Cl 2331241577 ZMIRSBRSDBHCGV-UHFFFAOYSA-N 445.729 6.691 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)CCc1ccccc1 2331445453 XPWIMTHHCNWOKS-UHFFFAOYSA-N 444.483 5.248 30 10 IKEE C[C@H](C(=O)Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1Cl)c1ccccc1 2331473082 PQRQYIVLCPCIOF-IBGZPJMESA-N 440.926 7.098 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2C2CCC2)cc1 2331523363 STJOKRNCNPKNLN-UHFFFAOYSA-N 448.636 6.516 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2OC)cc1 2331541492 SVZHWEIMUBQFJI-UHFFFAOYSA-N 434.463 5.277 30 10 IKEE Clc1ccc(CON=Cc2c(-c3ccc4ccccc4c3)nc3occn23)cc1Cl 2333242433 UAKNSRDQWPLPHH-UHFFFAOYSA-N 436.298 6.605 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Cl)cc(Br)c1F 2337098957 UFJZUVPYTPPRLT-WBVHZDCISA-N 447.776 5.199 30 10 IKEE CCCCCCCCCCC[C@H](N)c1sc(Cl)cc1I 2363915699 NDTTUHQOQUWZGD-AWEZNQCLSA-N 427.823 6.927 30 10 IKEE C=CCC(CC=C)[C@H](NC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2364013407 QLXZONOQLFPIEG-UXHICEINSA-N 437.422 5.241 30 10 IKEE CCOC(=O)c1sc(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)c(C#N)c1C 1965118 VNPSKPZYKDEDLG-UHFFFAOYSA-N 428.554 5.200 30 10 IKEE Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)CCCOc3ccccc3)cc(C)c2c1 12241339 GKUWIJCVWHSSHG-UHFFFAOYSA-N 439.519 5.015 30 10 IKEE CSc1ccc([C@@H]2N=C(Nc3nc4ccccc4s3)NC3=C2C(=O)CC(C)(C)C3)cc1 19648047 HLVUSCYQVYKHSY-NRFANRHFSA-N 448.617 5.774 30 10 IKEE CCc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2c[nH]c3ccccc23)cc1 20882600 PPPXKBJKTJNFHZ-WRONEBCDSA-N 433.555 6.710 30 10 IKEE C=CC/N=c1\scc(-c2ccc(OC(F)F)cc2)n1/N=C1/CCCCc2ccccc21 33385311 ZJPYTESVQOHINF-YPIVLKLDSA-N 439.531 5.884 30 10 IKEE O=C(/C(=C\c1ccc(OCc2ccccc2)cc1)c1nc2ccccc2[nH]1)c1ccccc1 34772682 TXKFZDXZMNXYKN-NCELDCMTSA-N 430.507 6.565 30 10 IKEE CC1(C)Cc2c(sc(NC(=O)c3ccc(Oc4ccccc4)cc3)c2C#N)C(C)(C)N1 35331442 TXWMTAIJUDFBTA-UHFFFAOYSA-N 431.561 5.824 30 10 IKEE O=C(Oc1ccccc1/C=C\C(=O)c1cc2ccccc2o1)c1ccc(OC(F)F)cc1 35403181 ZNRKPXHGFKQTEU-KAMYIIQDSA-N 434.394 6.150 30 10 IKEE C=CCC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1 36346094 TXDUALMVRYRHGF-QHCPKHFHSA-N 449.570 5.651 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(CC)cc1 40077095 JYBRPPBUUZSOKH-FQEVSTJZSA-N 442.353 5.390 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1ccc(OC)cc1 40093604 DJLLKNGVSNHLLP-HSZRJFAPSA-N 437.536 5.169 30 10 IKEE Cc1sc(NC(=O)[C@H](C)Oc2c(-c3ccccc3)oc3ccccc3c2=O)c(C#N)c1C 40167883 VCFBXICEEVKDLW-HNNXBMFYSA-N 444.512 5.416 30 10 IKEE N#CCCN(CCC#N)c1ncnc(Nc2ccc(/N=N/c3ccccc3)cc2)c1[N+](=O)[O-] 40618096 XXRTUQHHDMDTOM-ZQHSETAFSA-N 441.455 5.178 30 10 IKEE CCCCCCCCCCCCCCCCCCCCC[C@H](O)C[C@H](O)CCCCC 43888351 DAGYDJHSDMRWJX-WDYNHAJCSA-N 440.797 9.501 30 10 IKEE endogenous,in-man C=CCOc1c(Cl)cc(/C=C2\C(=O)N(c3ccc(C)c(C)c3)C(=O)N=C2O)cc1OC 96585270 CEFOQIYFZDEIRR-YVLHZVERSA-N 440.883 5.037 30 10 IKEE CCCCCCCOc1ccc(NC(=O)CNc2cccc(NC(=O)c3ccco3)c2)cc1 100113893 HMAGLYUGSCYXNA-UHFFFAOYSA-N 449.551 5.932 30 10 IKEE CCCCCCCCCOc1cccc(CNCc2cc(OC)c(OC)cc2Cl)c1 100153329 TXFXEJWHWXVNNX-UHFFFAOYSA-N 434.020 6.776 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2cccc(C)c2)c1 169930675 KGDXFFXYJOYEGN-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE CCOc1cc([C@H]2NC(=S)N(C)C(C)=C2C(C)=O)ccc1OCc1ccccc1Cl 169937019 FHRSRORDMSFOEC-JOCHJYFZSA-N 444.984 5.042 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccc(O)cc2)cc1 169962910 UNUYLNANNZHZOA-DEOSSOPVSA-N 427.500 5.354 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccc(O)cc2)c(C)c1 169963000 YMNAYEBCLGUENV-QHCPKHFHSA-N 431.463 5.239 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc(C)c2)c1 169966516 QBXWAKULSGQFHX-QHCPKHFHSA-N 447.918 5.830 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(CC)cc3)[C@@H]2c2cccs2)c1 169981766 DDPNCWJJDURECP-QFIPXVFZSA-N 433.529 5.492 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1cccs1 169985606 WNLJTBNRFXLUPB-LJQANCHMSA-N 443.883 5.332 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2ccc(F)cc2)=C(N2CCC[C@H](C)C2)C1=O 169985742 DPFYROOCDFXSKV-FQEVSTJZSA-N 428.592 5.778 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@@H]2c2cccnc2)c1 170008265 ASVIREWZEGBPEH-XMMPIXPASA-N 436.467 5.026 30 10 IKEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc(Cl)cc1)c1cccc2ccccc12 170058333 RMPSBWUEJBFEOF-XXBNENTESA-N 447.918 5.251 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2cccc(O)c2)cc1 170081856 NDHAOIJOGLCLMD-RUZDIDTESA-N 446.462 5.200 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@@H]2c2ccco2)cc1 170092485 NRORUBHVWVJRPR-HXUWFJFHSA-N 425.843 5.417 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2sccc2C)c1 170105245 JNKJXXOSOUUGCD-JOCHJYFZSA-N 433.529 5.167 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2c2ccc(F)cc2)c1 170140721 JCDQJMVXZRLYFA-XMMPIXPASA-N 443.474 5.242 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)(C)C)c2)[C@H]1c1cccs1 170165134 HWQWTCYEQKPVHJ-HXUWFJFHSA-N 427.566 5.433 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccn2)c1 170179210 FPSHSDFWSGDYJY-HSZRJFAPSA-N 434.536 5.027 30 10 IKEE Cc1ccc(-c2csc(C3=C(N)N(c4cccc(C(F)(F)F)c4)CC3=O)n2)cc1C 170180316 ZXVOEYUJLPLTIE-UHFFFAOYSA-N 429.467 5.162 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)[C@@H]2c2ccccc2)c1 170224160 PXFYIBYBWVCFCQ-QHCPKHFHSA-N 443.886 6.178 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccccc2)c1 170225093 ZLPXMFIPSMNWHC-XMMPIXPASA-N 427.500 5.485 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccccc1 170226614 QITCUCTVZYBOHD-QFIPXVFZSA-N 449.890 5.140 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccccc2)cc1C 170228224 MLXWAESTTPFYEF-RUZDIDTESA-N 441.527 5.793 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@@H]1c1ccc(F)cc1 170243975 FSYKIBHPIQTXGA-QFIPXVFZSA-N 425.500 5.220 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2ccccc2F)cc1 170252935 XLYDSMFQOANNDT-QFIPXVFZSA-N 425.500 5.383 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2F)cc1C(C)C 170253535 PYFLSZLNTBHUMP-QHCPKHFHSA-N 437.511 5.479 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1c[nH]c2ccccc12 170255258 KBZQAXHLJQOGSF-XMMPIXPASA-N 428.532 5.425 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1c1cccc(F)c1 170270888 KYRREINLDRIQDZ-DEOSSOPVSA-N 445.490 5.704 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@@H]1c1ccccc1C 170276894 WHHZTWJHUGRTQV-NRFANRHFSA-N 446.572 5.805 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccco2)cc1 170281010 ZLYPYFGVXPYUQY-VWLOTQADSA-N 437.495 6.339 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@@H]1c1sccc1C 170319190 NTIUFXZPFNSKFS-GOSISDBHSA-N 433.957 5.487 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2c(C)[nH]c3ccccc23)cc1 170403819 WLMJEBRYCFTDKE-JOCHJYFZSA-N 444.512 5.329 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccncc2)=C(O)C(=O)N1c1ccc(C(F)(F)F)cc1 170406288 RMXJKRDIYAIKPX-KRWDZBQOSA-N 444.434 5.253 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 170409722 OXJZGIKDYONWKU-JOCHJYFZSA-N 444.512 5.191 30 10 IKEE COc1cc(/C=C\C(=O)Nc2ccccc2SCCC#N)cc(Cl)c1OC(C)C 209928892 RPADDIOLTIQOIW-KTKRTIGZSA-N 430.957 5.793 30 10 IKEE COC(=O)/C=C1\SC(=Nc2ccc(C)c(Cl)c2)N(c2ccc(C)c(Cl)c2)C1=O 254557797 BSOGMLWCQDXFAZ-HJTUMBPSSA-N 435.332 5.435 30 10 IKEE C=C1CC[C@@]2(C)[C@@H]([C@H]1C)[C@H]1CC[C@@H]3[C@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]3(C)[C@]1(C)C[C@H]2O 257446864 IOPDFSGGBHSXSV-TYICAYQHSA-N 442.728 6.996 30 10 IKEE endogenous,in-man CC1=CC(=O)C(=O)C2=C1O[C@]1(C2)[C@H](C)CC[C@@H]2[C@]3(C)CC[C@H](O)C(C)(C)[C@H]3CC[C@]21C 257474439 LLWMPGSQZXZZAE-NEGDGHCFSA-N 426.597 5.147 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)cc1Cl)NC 406217332 KJXZSBBZNUTYRE-DLBZAZTESA-N 431.802 5.093 30 10 IKEE CC(C)COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccncc2)cc1 526517747 UCZVRMDRVKFVNY-XMMPIXPASA-N 425.488 5.045 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccc(Cl)c2)c1 526605642 DGKABAQNZZHEAJ-HSZRJFAPSA-N 430.891 5.668 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(O)c(Cl)c2)c1 526773502 RYAXQBOUNXAIGA-QFIPXVFZSA-N 449.890 5.227 30 10 IKEE CCCCCCOc1ccccc1C(=O)/C=N\n1cnnc1SCc1ccc(F)cc1 526801560 VSJVACRWPLXYMT-YSMPRRRNSA-N 440.544 5.385 30 10 IKEE CCCOc1c(/C=N\n2cnnc2SCc2ccc(C(C)(C)C)cc2)cccc1OC 526805390 JJEDWJMEJAXIEL-YSMPRRRNSA-N 438.597 5.548 30 10 IKEE CCOc1cc(/C=N\n2c(CC)nnc2SCc2ccc(Cl)cc2)ccc1OC 526807334 WAXGKVPUEMQBOS-QRVIBDJDSA-N 430.961 5.076 30 10 IKEE C=CCCN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Br)cc1 586124980 DJXSVMBZOZSBRD-UHFFFAOYSA-N 448.304 5.235 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@](C)(C#N)c1cc(Br)ccc1F 698416755 GHFPUPDCYAKXMT-OAQYLSRUSA-N 433.321 5.764 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@H](CNC(=O)OC(C)(C)C)C(C)C)c1 698469308 GYYBZPCIBRQJPS-PMACEKPBSA-N 431.577 5.426 30 10 IKEE Cc1cc(Br)ccc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 698975855 AURQBUNBSJWNJN-GOSISDBHSA-N 435.749 6.417 30 10 IKEE C=CCN=c1scc(-c2ccc([N+](=O)[O-])cc2)n1N=C(C)c1ccc(C(C)(C)C)cc1 885859858 SCHOYLGNYZVMCU-UHFFFAOYSA-N 434.565 5.781 30 10 IKEE C=CCn1c(SCC(=O)OC/C=C\c2ccccc2)nnc1-c1ccc(Cl)cc1 1084231344 XZUWTONUILRTSW-TWGQIWQCSA-N 425.941 5.133 30 10 IKEE Cc1cc(C)c2c(c1)CC(C)(C)C(=O)C2=NNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1088727050 IBZLKMVYTNTIMO-UHFFFAOYSA-N 434.521 5.303 30 10 IKEE CC1(C)Cc2cccc([C@H](C#N)OC(=O)[C@H]3[C@H](/C=C(/Cl)C(F)(F)F)C3(C)C)c2O1 1615199684 OAVOLVCXKGWJOS-HKUYTGCASA-N 427.850 5.465 30 10 IKEE O=C1/C(=C/c2ccc(Br)o2)SC(=Nc2cccnc2)N1C1CCCCC1 1772731468 NGZXKDMNABAYCA-JTKJEDPUSA-N 432.343 5.374 30 10 IKEE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=S)Nc2ccccc2)CCC3)c(C)c1 1772750533 WENJTDWZSBYDFD-UHFFFAOYSA-N 446.576 5.484 30 10 IKEE Cc1ccccc1/C=C1/SC(=NN=Cc2cccc([N+](=O)[O-])c2)N(Cc2ccco2)C1=O 1772758704 BONOSBDPPXMOPW-JWIJGFOBSA-N 446.488 5.003 30 10 IKEE COCCCN(C(=O)C12CC3CC(CC(C3)C1)C2)[C@H](C#N)c1cccc(Br)c1 1857958196 GRLLXUJRNIZTHN-WWFGTJDESA-N 445.401 5.095 30 10 IKEE C=CCOC(=O)c1sc(NC(=O)c2cc(C(C)C)nc3c(Cl)cccc23)nc1C 1859644597 UJGDHWKMMSFDBY-UHFFFAOYSA-N 429.929 5.372 30 10 IKEE CCCCCCCCCCn1c(C)cc(OCc2cccc(C(=O)OC(C)C)c2)cc1=O 1860785187 PFSPYLLZQLGFIC-UHFFFAOYSA-N 441.612 6.442 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862414184 UKMCKLJILDWAFH-FYSMJZIKSA-N 447.481 5.867 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cccc(Cl)c1 1862503531 ZGYFKHOMLJTMBH-OAQYLSRUSA-N 429.919 5.946 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2c(F)cccc2Cl)cc1 1862531006 CYRRUTZFPXQSHS-NRFANRHFSA-N 445.918 5.045 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@H]2c2ccccc2)cc1 1862532205 FUWZHYHEQTYFNM-QHCPKHFHSA-N 431.919 5.681 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(CC)cc1 1862556228 RJURHSHADPVEIV-ISKFKSNPSA-N 434.580 5.768 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc([N+](=O)[O-])cc1 1862585330 UEGCETGXNFQJFR-GOSISDBHSA-N 449.290 5.280 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccccc1F 1862590545 KYGHFDRDTUUHPG-QFIPXVFZSA-N 425.500 5.470 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C2CCCC2)cc1 1862616043 PELNRCVZBCCDMN-VWLOTQADSA-N 445.603 6.628 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1cccc(F)c1 1862617747 XWXBYVQLJNBARN-QFIPXVFZSA-N 439.527 5.127 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCC)cc1 1862624360 WSFXYOBFWRMNIB-XMMPIXPASA-N 449.591 6.151 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2ccc(Cl)cc2Cl)cc1 1862667987 NWVIKPUUZIUMKM-HXUWFJFHSA-N 448.346 5.078 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 1862688293 VVLIXVARCXYPML-QHCPKHFHSA-N 447.918 5.170 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(F)c(Cl)c3)C2=O)cc1 1862891634 SWVPDGAHPUUQGE-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE C=CCN1C(=O)C(Nc2cccc3c2CCCC3)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863288960 ORCVTPSSSHNPMN-UHFFFAOYSA-N 427.331 5.250 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC[C@@H]2CCCO2)=C(c2ccc(C)c(C)c2)C1=O 1863606716 LDNRVUFJGCZCOK-QHCPKHFHSA-N 440.628 5.293 30 10 IKEE CCCCCCCCCCNC(=O)c1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 1866082764 PJMBUDGVXAUKRC-UHFFFAOYSA-N 436.640 7.107 30 10 IKEE C[C@H](NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ncc(-c2ccc(F)cc2)o1 1868038231 DMKLUAMEOMNFSE-JTQLQIEISA-N 446.322 6.009 30 10 IKEE C=CCN(CC=C)c1cc(N2CCN(C)[C@H](c3ccccc3)C2)nc(-c2ccc(C)cc2)n1 1869173118 PSEOZLHFINWURT-VWLOTQADSA-N 439.607 5.124 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N2C[C@H](C)O[C@H](C)C2)nn1-c1ccc(Cl)cc1 1869951252 TZZJBURYQJQMJB-HDICACEKSA-N 448.011 5.223 30 10 IKEE CCCCCCCCCCn1cc(OCCCCCC)c(=O)cc1CN1CCCCCC1 1870673751 ZDZGTGXJUUZEPX-UHFFFAOYSA-N 446.720 7.324 30 10 IKEE C=CCOc1cn(Cc2ccncc2)c(CNc2ccc(Cl)c(C(F)(F)F)c2)cc1=O 1870809394 ABMUJBNSCBTUBR-UHFFFAOYSA-N 449.860 5.141 30 10 IKEE Cc1cc(OC(=O)c2ccc(C(F)(F)F)cc2)cc2c1C(=O)/C(=C/c1cccs1)O2 1871376028 PTDBEGZYNMVDMB-WQRHYEAKSA-N 430.403 5.911 30 10 IKEE Cc1cc(OC(=O)c2cc(Cl)ccc2Cl)cc2c1C(=O)/C(=C/c1cccnc1)O2 1871381239 OOXCSNNJADXTCV-UWVJOHFNSA-N 426.255 5.532 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1cccs1)C2=O 1871402421 VOFIJQQKNSUELF-CPEHUTGBSA-N 447.556 5.950 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc5ccccc5c4)cc(C)c3C2=O)c1 1871419528 KTNPKQILZGBCNS-WGARJPEWSA-N 449.506 6.090 30 10 IKEE Cc1cccc(C(C)C)c1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccccc1)C2=O 1871421965 FADZPRPZAFHMJW-IWIPYMOSSA-N 441.527 6.061 30 10 IKEE CCOc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871452402 OOANWAAUDHCNKV-IWIPYMOSSA-N 443.499 5.336 30 10 IKEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)CCCC 1871851694 XIGSESPURSPAQS-HSZRJFAPSA-N 444.597 5.204 30 10 IKEE C=CCN([C@@H](CCC)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)c(C)c1 1872426479 BBXQWHYYGVKJHK-QFIPXVFZSA-N 449.016 5.249 30 10 IKEE N#C[C@@H](C(=O)CCc1ccc(Cl)cc1)c1nc(-c2ccc(Br)cc2)cs1 1872765331 MVOGNJQJTFTRLN-KRWDZBQOSA-N 445.769 6.035 30 10 IKEE CCc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2ccc(OC)c3ccccc23)cs1 1872789139 YZTZNLUTWIZXKQ-OAQYLSRUSA-N 442.540 5.790 30 10 IKEE CCCCCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1 1872789364 HBSDXVHVOBAWPQ-KRWDZBQOSA-N 445.009 6.974 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc2nc(COc3ccc(C)c(C)c3)[nH]c2c1 1872811541 WRIBBPQMOQXKHW-UHFFFAOYSA-N 435.612 6.629 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C(F)(F)F)cc2)=C(c2cccnc2)C1=O 1873268809 GJMLWPQXVTVEJY-UHFFFAOYSA-N 445.485 5.653 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C(C)(C)C)cc2)=C(c2ccccc2C)C1=O 1873305762 TUEPETGHKJSWAB-UHFFFAOYSA-N 446.635 6.845 30 10 IKEE C=CCN1C(=O)C(Nc2cccc(OCc3ccccc3)c2)=C(c2ccc(F)c(C)c2)C1=O 1873401433 FQIPUKOMOBJTFH-UHFFFAOYSA-N 442.490 5.091 30 10 IKEE CC(C)c1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc2nccnc2c1 1873505253 HFGMAUIKXLSCJJ-KBKYJPHKSA-N 440.935 5.312 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(F)c(Cl)c2)cc2c(NCCc3ccccc3)ncnc21 1873607228 MVMIXYIWSDNLFP-UHFFFAOYSA-N 449.917 5.317 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(CC)cc2)cc2c(NCc3ccc(F)cc3)ncnc21 1873611537 GBOPWHISILEMMF-UHFFFAOYSA-N 429.499 5.183 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccccc1CC)n2CC(C)C 1873621465 RYDYGXBHGUZESL-UHFFFAOYSA-N 449.643 6.674 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(Cl)c(Cl)c1)n2CCC 1873656462 AKMJFEBYYLPCHU-UHFFFAOYSA-N 444.366 5.579 30 10 IKEE CCCCCCCCCCNC(=O)C1(Oc2ccc(Br)cc2)CCOCC1 1873936894 RJEGJCCGLBUYMM-UHFFFAOYSA-N 440.422 5.634 30 10 IKEE CCCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1c(F)cccc1Cl 1874255908 OSSGRJQAZZNFDV-BRJLIKDPSA-N 446.979 5.959 30 10 IKEE CCCCOc1ccc(/C=N/n2c(COc3ccc(CCC)cc3)nnc2SC)cc1 1874256824 VCCPGWBHXVQQKA-KOEQRZSOSA-N 438.597 5.593 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2/N=C/c2ccccc2C)cc1 1874356040 OQMZZGDKAXXJFN-OGLMXYFKSA-N 440.616 6.277 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2cccc(F)c2)n1/N=C/c1cccc(F)c1 1874361331 JZFBYFHKZBZVHU-LQKURTRISA-N 448.542 5.824 30 10 IKEE Fc1cccc(/C=N/n2c(SCc3ccccc3F)nnc2-c2ccccc2Cl)c1 1874365700 QDWMBDRZOZJBFM-LGJNPRDNSA-N 440.906 6.051 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2-c2ccccc2Cl)cc1 1874365999 GKOHFMXWGWHXKT-CVKSISIWSA-N 448.979 6.090 30 10 IKEE Cn1cc(/C=N/n2c(SCc3cccc(F)c3)nnc2-c2cccs2)c2ccccc21 1874421463 NFPUQKCPIXLKIA-DHRITJCHSA-N 447.564 5.812 30 10 IKEE CCCCCCOc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCCC)cc1OC 1874440006 DZPFZEYXHKHJSD-XIEYBQDHSA-N 446.661 6.219 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2ccc(F)cc2)nnc1[C@H]1CCCO1 1874442803 LKBRBHCZQHWIBT-JAMLUQCHSA-N 440.544 5.232 30 10 IKEE Oc1ccc(Cl)cc1/C=N/n1c(SCc2cccc(Cl)c2)nnc1-c1ccco1 1874468385 GKSDGWJLSKJIEK-FOKLQQMPSA-N 445.331 5.725 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2)nnc1C1CCC1 1874496996 OXCQQCXTOHVOKW-AFUMVMLFSA-N 441.000 6.161 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(C)C)n2/N=C/c2cccc(Br)c2)c1 1874513924 XMRXIXXMBWWXOY-FSJBWODESA-N 443.414 5.955 30 10 IKEE CC(C)c1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1cccc2ccccc12 1874514915 MBQIEEIEVKNVDV-LGJNPRDNSA-N 438.959 6.522 30 10 IKEE Cc1ccc(COc2ccc3ccccc3c2/C=C/C(=O)c2ccc3ccccc3c2)cc1 1874571185 ABPBTIDOECXTRK-ISLYRVAYSA-N 428.531 7.777 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Br)ccc2OCc2cc(C)ccc2C)cc1 1874572693 AFBVLNGPUJHXQR-ACCUITESSA-N 449.388 7.103 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2C)cc1 1874573311 HGJUBKKZGHDTEE-FBMGVBCBSA-N 441.571 6.560 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(C)c(C)c2)cc1 1874588053 RLBKEWKTRGVINJ-UKTHLTGXSA-N 447.962 6.433 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccc2ccccc2c1 1874593188 WYXMOQCAWSRIKN-MDWZMJQESA-N 433.334 7.622 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OCC(=O)Nc1ccc(F)cc1 1874596347 SUHMRYBPUKILQF-WUXMJOGZSA-N 433.479 5.365 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1OCC(=O)Nc1ccccc1 1874597438 MLYJEEAIJTWXHN-JQIJEIRASA-N 437.495 5.762 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc1OCc1cccc(C)c1 1874598289 DVLHBSYKTITWJY-ZRDIBKRKSA-N 444.571 6.919 30 10 IKEE CCCNC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1OC 1874622104 MJNYZFNARCOKNG-KPKJPENVSA-N 443.971 5.447 30 10 IKEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1Br 1874623975 FZARQPIIXATUOP-VZUCSPMQSA-N 444.369 5.374 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2Cl)c1 1874631804 VESXDCZEJRVOIC-DHZHZOJOSA-N 447.962 6.487 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccccc3F)c2)cc1 1874695891 XNODOLVRYXUFCV-FOWTUZBSSA-N 446.518 6.221 30 10 IKEE O=C(COc1cc(F)ccc1F)Oc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1 1875096315 IFODQEDFZPYJBL-VGOFMYFVSA-N 444.433 5.999 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccncc2)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 1875135313 KMXVEWAKYZOXPS-ORCRQEGFSA-N 443.242 5.412 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)cc3F)cc2)c(OC)c1 1875178760 AVJOIFHXYDNXSD-LFYBBSHMSA-N 438.426 5.026 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(Cl)cc(C)c3OC)cc2)cc1 1875181988 HDKBMTYWPQVDBP-NTEUORMPSA-N 434.919 6.335 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)ccc1OC(=O)c1ccccn1 1875186116 FAZLHPMETPFAKH-JXMROGBWSA-N 437.879 5.258 30 10 IKEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)Nc3cccc(Oc4ccc(F)cc4)c3)n[nH]2)c1C 1890945577 XHZUBJOPVNGABW-UHFFFAOYSA-N 445.498 5.650 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccccc3Cc3ccccc3)cc21 1891165219 IJAPOGINZPCBLY-UHFFFAOYSA-N 440.543 5.467 30 10 IKEE N#Cc1ccnc(O[C@H]2CCN(C(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)cc3)C2)c1 1891487855 CBMZGEGOYIOVLJ-IBGZPJMESA-N 438.314 5.221 30 10 IKEE N#Cc1ccc(CNC(=O)c2cc3ccccc3c3cc(Br)ccc23)cc1F 1891840992 DQFDNYQRSHHRCC-UHFFFAOYSA-N 433.280 5.696 30 10 IKEE C=C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)([C@H](CCCC)C(=O)O)C(C)(C)C 1927541192 WWZWXUVSOKSRGS-YWEHKCAJSA-N 449.591 6.387 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1(C)C 1947970681 JHEPQUZRSWTRCE-HSZRJFAPSA-N 433.524 5.249 30 10 IKEE C=C([C@H](NCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)[Si](C)(C)C 1997468555 HKFUOKAZJQITIY-WIOPSUGQSA-N 446.708 5.242 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@@](C)(C#N)[C@@]1(C)CCN1C(=O)OC(C)(C)C 1999895394 AZCAWXAPMFAEFW-PKTZIBPZSA-N 449.979 5.763 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2)NCC 2006451441 UHRXJYQYVFRBIK-XPWALMASSA-N 428.617 5.211 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@@H](C2CCC2)C1 2018430702 YTLMTPIFNXDVFM-RGZWJVDOSA-N 435.609 5.484 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@]1(C#N)CCN(Cc2ccccc2)CC12CCC2 2037439057 TXMWQAQPLBFHEO-HHHXNRCGSA-N 437.628 5.895 30 10 IKEE Cc1ccc(-c2cc(C=Cc3ccc4c(c3)OCO4)c(C#N)c3nc4ccccc4n23)cc1 2040461311 JZBIZRLRAUIMER-UHFFFAOYSA-N 429.479 6.234 30 10 IKEE CC(C)(C)N(Cc1ccccc1)c1ncc(C(F)(F)F)cc1B1OC(C)(C)C(C)(C)O1 2052610788 NMAGWZJFFIUPCF-UHFFFAOYSA-N 434.311 5.205 30 10 IKEE CC(C)(C)OC(=O)N1CCCC2(C1)CC(C#N)(N(C(=O)OC(C)(C)C)c1ccccc1)C2 2066141693 MXOUXNSCSOZPJD-UHFFFAOYSA-N 441.572 5.502 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Cl)cc1Br 2077735063 HLBQNMNKOCVEJH-IAGOWNOFSA-N 429.786 5.060 30 10 IKEE C=CCC1(Oc2ncc(Br)c3ccsc23)CN(C(=O)OC(C)(C)C)C1 2078104383 IFDDKKUIRZRFET-UHFFFAOYSA-N 425.348 5.003 30 10 IKEE CC(=O)Oc1ccc([C@@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C(C)(C)C)cc1 2080080406 UPFRWWDPTOHAPR-GOSISDBHSA-N 448.361 5.066 30 10 IKEE CCOc1ccc([C@@H](C2CCC2)n2nc(C(C)(C)C)c(C=NO)c2Br)cc1 2080107669 QQHXPEYLRJUBMH-GOSISDBHSA-N 434.378 5.539 30 10 IKEE CC(C)(C)c1nn(C(F)(F)F)c(Br)c1-c1ccc(F)cc1C(F)(F)F 2080798365 JZDFUIJJOONKKX-UHFFFAOYSA-N 433.165 6.244 30 10 IKEE C=CCCCCCCCC[C@H](NCC)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2086264630 VXZOGZREWCIUQH-DQEYMECFSA-N 446.676 6.381 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@@]1(C#N)CN(Cc2ccccc2)C2(CCOCC2)C1 2100083199 JAYWSNHCSRHIKI-MHZLTWQESA-N 447.579 5.146 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)C1CC(C(F)(F)F)C1 2105185053 ZYJVMGOEAUSUBP-QOZQQMKHSA-N 433.268 5.671 30 10 IKEE C=CCC[C@@H](C)[C@H](NCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2158326620 DLQYKWPWMGXRNU-AHRSYUTCSA-N 439.438 5.465 30 10 IKEE CCCC1(Nc2cc(Br)c(C#N)cc2F)CCN(C(=O)OC(C)(C)C)CC1 2162308463 IEKIJALHKUXKCQ-UHFFFAOYSA-N 440.357 5.442 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@]2(CNc3cc(Br)cc(C#N)c3)CCC[C@H]12 2165303336 MCJXGJIEWZEOFH-GHTZIAJQSA-N 434.378 5.302 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](CNc2cc(Br)cc(F)c2C#N)CC12CC2 2172004222 ITVUUCCXMJCVRX-ZDUSSCGKSA-N 438.341 5.051 30 10 IKEE CO[C@]1(C)C[C@H]2C[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2185280950 BCYKYHBRSFRDEJ-RSMHBEIYSA-N 435.362 5.288 30 10 IKEE C/C=C/C[C@H](NC(=O)OC(C)(C)C)[C@H](C#Cc1ccccc1Br)NCCC 2235747033 MXHSOYMTEGJPAU-GXOGWTJNSA-N 435.406 5.028 30 10 IKEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N(Cc2ccccc2)[C@H](C)c2cccs2)C1 2247553401 GWHZKLRXYOMJHH-VLNJMECTSA-N 438.593 5.145 30 10 IKEE CC1(C)OB(c2ccc(COCc3cc(Br)ccc3Cl)cc2)OC1(C)C 2295171354 ICULBXWSNZUUJS-UHFFFAOYSA-N 437.570 5.119 30 10 IKEE N#Cc1ccc(Nc2cc(Cl)c(Br)cc2Cl)c(F)c1Br 2295478153 YJGHUXLRSGFEFQ-UHFFFAOYSA-N 438.909 6.273 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(F)c([C@@H](N)C#Cc2ccc(Br)cc2)c1F 2296304779 LCANZPSRRMMGJV-HNNXBMFYSA-N 437.284 5.126 30 10 IKEE Cc1cccc(N=C2NC(=O)C(=Cc3ccc(OCc4ccccc4C#N)cc3)S2)c1 2296738422 SFLZQGIPXVZJBF-UHFFFAOYSA-N 425.513 5.337 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3c(ccc(OCc4ccccc4C)c3C)C1=O)cn2C 2296871417 WMBXXIHDPVZAQM-UHFFFAOYSA-N 439.511 5.999 30 10 IKEE C=CCN1C(=O)C(=O)C(=C(O)c2ccc(Br)cc2)[C@H]1c1ccc(C(C)C)cc1 2297746518 VBPYAJSFZJKWKG-HXUWFJFHSA-N 440.337 5.180 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 2302797068 XKJASCHSVODGCJ-OTWHNJEPSA-N 449.979 5.667 30 10 IKEE CCN1C(=O)C(=Cc2ccccc2OCc2ccc(C)cc2)SC1=Nc1ccccn1 2314541761 PRZAIJWJVWDKRD-UHFFFAOYSA-N 429.545 5.593 30 10 IKEE COc1ccc(C=C2SC(=Nc3cccc(C(=O)O)c3)N(C3CCCCC3)C2=O)cc1 2314549010 ZJXBPXHWRZWRCP-UHFFFAOYSA-N 436.533 5.330 30 10 IKEE CC[C@@]1(C)N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(C)cc1 2315231151 KHPACZINXCVBRU-JWQCQUIFSA-N 443.588 5.808 30 10 IKEE CCc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccc(Cl)cc2)cc1 2318574570 NQTTUXCNEOYOIL-UHFFFAOYSA-N 447.007 6.259 30 10 IKEE CCCCOc1ccc(C=Nn2c(C)nnc2SCc2ccc(F)cc2)cc1OC 2321090434 NJHFZCYVZREMIZ-UHFFFAOYSA-N 428.533 5.088 30 10 IKEE Sc1nnc(C2CCCC2)n1N=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 2321928145 NQISNIWKNXICDV-UHFFFAOYSA-N 447.391 5.992 30 10 IKEE CCCCCCCCN1COc2ccc3c(c2C1)OC(=Cc1ccc(C(=O)OC)cc1)C3=O 2322183777 PYFNYBCODRWZCE-UHFFFAOYSA-N 449.547 5.602 30 10 IKEE CCCCOc1ccccc1C=NNc1cnn(-c2ccccc2Cl)c(=O)c1Cl 2322624099 NEORQQHXWLKESY-UHFFFAOYSA-N 431.323 5.164 30 10 IKEE Cc1c(OC(=O)c2ccc(Br)cc2)ccc2c1OC(=Cc1ccccc1)C2=O 2322708311 MFSFMENCJATVFB-UHFFFAOYSA-N 435.273 5.593 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2c(F)cccc2Cl)cc1F 2322711336 CEEJTXVXJXUNLO-UHFFFAOYSA-N 444.861 6.111 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OC(=O)c4ccccc4Cl)cc(C)c3C2=O)cc1 2322725104 DLKMKRLXRBCQSK-UHFFFAOYSA-N 434.875 5.883 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2cc(Br)cc(OC)c2OCC)c1 2322860716 WTJZDIFEZRYERA-UHFFFAOYSA-N 449.341 5.550 30 10 IKEE CC(C)Oc1c(Br)cc(C=NNc2ccc(F)cc2)cc1Br 2322959249 XXVYDUYWAZGIOZ-UHFFFAOYSA-N 430.115 5.584 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1OCC(=O)NCc1ccco1 2323047763 ZVHVEBPXQPVGQF-UHFFFAOYSA-N 441.483 5.033 30 10 IKEE O=C1C(=Cc2c(F)cccc2Cl)Oc2cc(OC(=O)c3ccc(F)c(F)c3F)ccc21 2323126503 CFAJFXXLNCGILH-UHFFFAOYSA-N 448.755 5.732 30 10 IKEE O=C1C(=Cc2ccc([N+](=O)[O-])cc2)Oc2cc(OC(=O)c3cccc4ccccc34)ccc21 2323476545 STYRAVNKDFNOEH-UHFFFAOYSA-N 437.407 5.583 30 10 IKEE Cc1ccc(COc2ccc(C=CC(=O)c3ccc(Cl)cc3Cl)cc2[N+](=O)[O-])cc1 2323521090 RUZCGBRZFAJQOT-UHFFFAOYSA-N 442.298 6.685 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc3c(c2C)OC(=CC=Cc2ccccc2)C3=O)CC1 2323652979 XHVSBFCRINBFQE-UHFFFAOYSA-N 444.571 7.069 30 10 IKEE C=C(C)COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1Br 2323886514 CYSWDGCQMJSGOU-UHFFFAOYSA-N 426.137 6.607 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OCC(=O)N[C@@H](C)c1ccccc1 2323959850 QJHUMMNBECCABE-NRFANRHFSA-N 443.543 5.464 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OCC(=O)Nc1cc(C)ccc1C 2323960288 ZVGXXAOZUOHQMK-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OCC(=O)Nc2c(C)cccc2C)cc1 2323991035 UPAJYTZTBRBYDD-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccc(C)cc4)cc(C)c3C2=O)cc1 2324375952 ROFZBSPDAKAZBU-LJQANCHMSA-N 427.500 5.634 30 10 IKEE Cc1ccccc1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)OC(=CC=Cc1ccccc1)C2=O 2324416494 CIXCTKRCUANHAV-FQEVSTJZSA-N 439.511 5.882 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2Cl)cc1 2324447384 XOCLAYGANBQILX-UHFFFAOYSA-N 433.935 6.179 30 10 IKEE COc1ccccc1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)OC(=Cc1cccs1)C2=O 2324473714 UDZTZZQCFGTBTL-HNNXBMFYSA-N 435.501 5.087 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)ccc1OCc1ccccc1F 2324586167 GGEUKNFAPJBMRT-UHFFFAOYSA-N 432.535 6.915 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1C)OC(=Cc1ccc(F)cc1)C2=O 2325142164 SBXFNEPLQMQARZ-SFHVURJKSA-N 445.490 5.773 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OCc3cccc(Oc4ccccc4)c3)ccc2C1=O 2325346334 VDNSDPKRXNTZOM-UHFFFAOYSA-N 440.520 7.044 30 10 IKEE Cc1cc(C)c2nc(NC(=O)COc3ccc4c(c3)OC(=Cc3ccco3)C4=O)sc2c1 2325467924 IJURKSPNQWFVMI-UHFFFAOYSA-N 446.484 5.140 30 10 IKEE Cc1cc(OCC(=O)Nc2c(F)cccc2F)cc2c1C(=O)C(=Cc1ccccc1F)O2 2325511202 IWJMNFDDTMCHIQ-UHFFFAOYSA-N 439.389 5.046 30 10 IKEE COc1ccc(CCOc2ccc3c(c2)OC(=Cc2cn(C)c4ccccc24)C3=O)cc1 2325631529 PYLITXWDVGGLQW-UHFFFAOYSA-N 425.484 5.425 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(-c4ccccc4)cc3)c2)cc1 2325705435 FQCFIKKGTYXDHV-UHFFFAOYSA-N 432.519 7.031 30 10 IKEE O=C(C=Cc1cccc(OCc2ccccc2)c1)C(=O)NC1CCCCCCCCCCC1 2325718176 RGCDHSJRZHSUJI-UHFFFAOYSA-N 447.619 6.637 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)COc3cccc(C)c3C)c2)cc1 2325718264 MODOMQLCNLSBNC-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2OC)cc1OC(=O)c1ccc(C)c(C)c1 2325742816 ZNPLHNRFQKYYKM-UHFFFAOYSA-N 430.500 5.744 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC(=O)[C@H](C)c2ccccc2)c1 2325765928 PUXSJIKKVJBYJA-OAQYLSRUSA-N 426.556 6.898 30 10 IKEE CCSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1ccc(C(C)C)cc1 2325908826 HNAUWUXOYRMHQF-UHFFFAOYSA-N 449.407 6.282 30 10 IKEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)C[C@@H]2CCCC[C@H]2N(C(=O)OC(C)(C)C)C1 2326071665 DXNMBJUXJBBVNC-VVZHRXSXSA-N 442.600 5.088 30 10 IKEE C=C(C)CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1cccn1C 2326130662 LCUDWPVLQGYGRR-UHFFFAOYSA-N 429.977 5.016 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1cccc(Cl)c1Cl 2326252261 IUXVPWTWPYTVHF-UHFFFAOYSA-N 437.371 6.241 30 10 IKEE Cc1ccc(COc2ccccc2C=Nn2c(C)nnc2SCc2ccc(C)cc2)cc1 2326289730 JLKCDZMBCDNTDM-UHFFFAOYSA-N 442.588 5.957 30 10 IKEE CCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccc(C(C)(C)C)cc1 2326524028 DKKOOFLOZOLBJO-UHFFFAOYSA-N 443.016 6.111 30 10 IKEE C=C(C)CSc1nnc(CCc2cccs2)n1N=Cc1cc(Cl)c(O)c(OC)c1 2329662143 RXOQQRYTQLKLDP-UHFFFAOYSA-N 449.001 5.043 30 10 IKEE CCCSc1nnc(CCc2cccs2)n1N=Cc1ccc(OC(C)C)c(OC)c1 2329674502 KZTSVJYVLYQQQU-UHFFFAOYSA-N 444.626 5.305 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccccc2F)n1N=Cc1ccccc1F 2329708998 XGFKMQBSZLFWFU-UHFFFAOYSA-N 434.515 5.630 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1ccc(F)cc1F 2330705380 PXDHFMCNDKKSSA-UHFFFAOYSA-N 448.465 5.968 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)ccc1OC(=O)c1cc(C)cc(C)c1 2330765211 BETJDQHMILVFSR-UHFFFAOYSA-N 428.528 6.380 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccccc3)c(Cl)c2)cc1 2330833080 QICOPTQNFSOFSR-UHFFFAOYSA-N 448.946 6.563 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cccc(Cl)c3)cc2Cl)cc1 2331122862 VCIIDDAYZWTGJI-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2cccc(C)c2)nnc1-c1ccco1 2331183020 ADFCNFAGLDSZEN-UHFFFAOYSA-N 432.549 5.810 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)CCCOc1c(C)cccc1C 2331184708 STXJSKDAYIVDJP-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)c1ccc(F)cc1 2331318185 FKPQVUVXZXUOFZ-UHFFFAOYSA-N 434.463 5.575 30 10 IKEE CCOc1cc(C=Nn2c(SC)nnc2C(C)(C)C)ccc1OCc1ccccc1C 2331358535 JHWHOZMAPZOHRC-UHFFFAOYSA-N 438.597 5.466 30 10 IKEE Cn1cc(C=Nn2c(SCc3ccccc3Cl)nnc2C(C)(C)C)c2ccccc21 2331397912 HDFPZWGQOVNSCJ-UHFFFAOYSA-N 438.000 5.895 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3Cl)cc2)cc1 2331411027 GEHYNCKHLSDBJT-UHFFFAOYSA-N 432.947 6.682 30 10 IKEE CC(C)Cc1nnc(SCCc2ccccc2)n1N=Cc1ccc(C(F)(F)F)cc1 2331456890 SJYILLUKYLBNST-UHFFFAOYSA-N 432.515 5.712 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2ccccc2C)cc1 2331496437 WUZBIKLOVUDSTB-UHFFFAOYSA-N 433.581 5.029 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccco3)cc2)cc1 2331541610 MMUYHUMSWQAHBE-UHFFFAOYSA-N 432.516 6.744 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)CCCSC 2331555061 ODNTUPROGSMPQV-UHFFFAOYSA-N 440.895 5.572 30 10 IKEE Cc1cccc(C)c1NC(=O)CSc1nnc(C(C)C)n1N=Cc1ccc(Cl)cc1 2331695842 UIZUTHGFKVKNCK-UHFFFAOYSA-N 441.988 5.285 30 10 IKEE COc1cc(C=Nn2c(SCc3ccccc3C)nnc2C2CC2)ccc1OC(C)C 2331729030 HXJSKPWHIRHZNO-UHFFFAOYSA-N 436.581 5.434 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)c3ccccc3)c(Cl)c2)c(C)c1 2331768892 YIXYQSXVIHOOSU-FQEVSTJZSA-N 432.947 6.870 30 10 IKEE Cc1c(NC(=O)OC(C)(C)C)cccc1Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N 2364748877 KRGNJJXECJMMSK-UHFFFAOYSA-N 449.360 5.257 30 10 IKEE Cc1cc(CNc2cc(Cl)cc(Br)c2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369681466 HRHKUJVCCQYNLD-UHFFFAOYSA-N 436.586 5.322 30 10 IKEE COc1ccccc1/C=C/C=C1/Oc2cc(OCc3ccc(F)cc3Cl)ccc2C1=O 2420833 ILKXCWVEDGJAFZ-NDNSOUFHSA-N 436.866 6.239 30 10 IKEE O=C(/C=C\Nc1cccc([N+](=O)[O-])c1)c1cccc(OCc2ccc(Cl)cc2Cl)c1 8782113 NTPXWDZNAVKBOK-KTKRTIGZSA-N 443.286 6.289 30 10 IKEE O=C1/C(=C/Nc2cccc(Cl)c2)S(=O)(=O)N(Cc2cccc(F)c2)c2ccsc21 20575848 KZJXBGNMLSBOMB-WQRHYEAKSA-N 448.928 5.027 30 10 IKEE C=CCOc1ccc2c(c1)C(=NNc1cccc(C(=O)O)c1)c1cc(OCC=C)ccc1-2 20615559 OJXBFTFAHHEBGK-UHFFFAOYSA-N 426.472 5.359 30 10 IKEE COc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cccc2ccccc12 21231347 HJBFADODUBIGEH-KEEVHDRGSA-N 446.550 6.828 30 10 IKEE Cc1cccc(C(=O)/N=C(/NCCc2c[nH]c3ccccc23)Nc2cc(Cl)ccc2C)c1 32943249 GMDXXUGOGVASLS-UHFFFAOYSA-N 444.966 5.879 30 10 IKEE CC(=O)/N=C1\NC(=O)/C(=C\c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)S1 33296127 ZFNOJLIECHJFFF-DJKKODMXSA-N 444.343 5.103 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(Cl)c(Cl)c2)C3=O)cc1 33368988 CMABOVDGUGOTPZ-NHDPSOOVSA-N 425.267 6.137 30 10 IKEE C=CCC[C@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1 36345924 LLJZTZSZBABHFL-DEOSSOPVSA-N 433.596 5.821 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2Cl)Oc2cc(OCc3ccccc3Cl)ccc21 38320956 VCYGACUCQMHPOV-NKVSQWTQSA-N 431.702 6.842 30 10 IKEE Cc1c(C(=O)c2sc3ccccc3c2Cl)c(O)n([C@@H](C)c2ccccc2)c(=O)c1C#N 38622733 STWYDCWLMDOYBN-AWEZNQCLSA-N 448.931 5.442 30 10 IKEE Cc1ccc(-n2c(C)cc3c2CC(C)(C)C/C3=N\OC(=O)Nc2ccc(Cl)cc2)cc1C 39853154 YQHWQJFSNGYPCM-BYNJWEBRSA-N 449.982 6.981 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(OCC)cc1 40079396 IEWSUPIWINRLQH-QHCPKHFHSA-N 437.536 5.251 30 10 IKEE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1/C(=N/Nc1ccccc1)CCC2 40824168 CXUITHYRFAPQGH-OVVQPSECSA-N 428.319 6.300 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(N(C)C)cc1)O3)CN(Cc1ccc(F)cc1)CO2 41651571 YCWHXNVIDPPTJR-CFRMEGHHSA-N 444.506 5.168 30 10 IKEE CCCOc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccccc4)nn32)cc1 54642267 ZSKHAARIIRXPID-QHCPKHFHSA-N 446.576 5.381 30 10 IKEE C[C@@H]1C/C(=N\OC(=O)Nc2ccccc2)c2ccc(OC(=O)Nc3ccccc3)cc2C1 59377637 GNFJTCKIVPNQOR-ZKAUOXRGSA-N 429.476 5.833 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccc(C(C)(C)C)cc2)nnc1-c1cccc(OC)c1 59807841 VNQGONRENDYAQV-UHFFFAOYSA-N 436.581 5.168 30 10 IKEE COc1cccc(N/C(=N\C(=O)c2ccc(C)c(F)c2)NCCc2c[nH]c3ccccc23)c1 85581321 QDUTXYJGAAJQET-UHFFFAOYSA-N 444.510 5.065 30 10 IKEE CCCCCCCc1c(C)nn(C(=O)COc2ccc(CC)cc2Br)c1C 100458546 RHAQVXUKMFXOQR-UHFFFAOYSA-N 435.406 6.057 30 10 IKEE O=C1/C(=C\c2ccccc2Cl)CN(Cc2ccccc2)C/C1=C/c1ccccc1Cl 108727974 MOWSEIJAODKLRS-VMTNTFKOSA-N 434.366 6.545 30 10 IKEE CCC(CC)c1nnc(S)n1/N=C\c1ccc(OCc2cccc(Cl)c2)c(OC)c1 169910452 OPUPOMYNFASHMC-CFRMEGHHSA-N 444.988 5.594 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccc(F)cc2F)c1 169971477 HSHCEBHMESDFLB-IBGZPJMESA-N 440.471 5.129 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccncc1 170018626 RBLNYLMIFQRAKX-JOCHJYFZSA-N 443.890 5.308 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccccn2)cc1 170067487 ADPZAMZGOWZHNZ-QHCPKHFHSA-N 446.934 5.637 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cn(C)c3ccccc23)cc1C 170085677 SHJLOMUIGCQKQJ-XMMPIXPASA-N 428.532 5.316 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)cc(Cl)c2OC)[C@H]1c1cccc(C)c1 170146694 SOTGDAXQOSQDPK-LJQANCHMSA-N 448.346 5.689 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1cccnc1)c1ccc(Cl)c(Cl)c1 170183181 JKUABLPNIUMSPR-SFHVURJKSA-N 445.327 5.228 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@@H]1c1ccncc1 170211002 YNAANGVOUFCZPG-QHCPKHFHSA-N 436.552 5.291 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2ccc(OCC)cc2)cc1C 170214103 OLOATJPJTHCFTO-QHCPKHFHSA-N 437.536 5.171 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccccc1)c1cc2ccccc2o1 170226823 WMSHWNJCTOKTRO-JOCHJYFZSA-N 429.859 5.869 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccccc1 170226897 OXIZARJRXUITLA-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(F)cc2)cc1C(C)C 170239532 SSYYAAKWQQNJGR-DEOSSOPVSA-N 445.490 5.741 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2F)c1 170246783 RGGHRPSSYTYDQA-OAQYLSRUSA-N 437.492 5.064 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2F)cc1 170251658 FDCSCNXQZFPIII-QHCPKHFHSA-N 437.511 5.524 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1Cc1cccs1 170269756 KFNJUVNJEZDTQN-QFIPXVFZSA-N 428.513 5.316 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccco2)cc1 170281702 HNZGPHBOYONOAD-HSZRJFAPSA-N 449.478 5.771 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccco2)cc1 170285668 KDIBTKZDPWWNQQ-QHCPKHFHSA-N 431.488 5.468 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccc(C)o2)c1 170301648 LXZHYIXAPHQMBT-QHCPKHFHSA-N 447.487 5.005 30 10 IKEE CCN(CC)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2cccc(C)c2)cc1 170342921 RVQVOQHDWQWXGT-DEOSSOPVSA-N 441.531 5.019 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(O)c(Cl)c2)c1 170367302 GQABSHPOXNPHBP-JOCHJYFZSA-N 433.891 5.445 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)cc1 170391569 SRBQBDXWFIDXDV-HXUWFJFHSA-N 425.843 5.417 30 10 IKEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 170471402 BTLSTGYUESYWAI-QHCPKHFHSA-N 449.591 5.894 30 10 IKEE CC(C)Oc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCc2ccc(F)cc2)c1 170475811 FCYALNSUQWLAED-QHCPKHFHSA-N 449.478 5.027 30 10 IKEE Cc1cc(C)c2nc(-n3ncc(C#N)c3Nc3nc4cc(C(C)C)ccc4o3)cc(C)c2c1 170547193 CWKYKMUOCCLZOJ-UHFFFAOYSA-N 436.519 6.226 30 10 IKEE CCCCCCC[C@@](C)(C(=O)O)N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 226801476 VEGUFXGHTBGLJF-NDEPHWFRSA-N 449.591 6.604 30 10 IKEE COc1ccc(O)c(-c2cc(-c3ccc(C#N)cc3)cc(N[C@H]3CCC[C@H](C(=O)O)C3)n2)c1 247877635 HVJHVUIODQULTQ-ICSRJNTNSA-N 443.503 5.057 30 10 IKEE COc1cccc(C=Nc2ccc(Oc3ccc(N=Cc4cccc(OC)c4)cc3)cc2)c1 252462270 REABBRDBSQZLRC-UHFFFAOYSA-N 436.511 6.997 30 10 IKEE CCOc1cccc(/C=C2/SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)c1O 252626800 RFVVUCLNNPKHOI-GQUXDKRHSA-N 444.556 6.216 30 10 IKEE C=CCOc1ccc(/C=C2/SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1 252642720 ZOXAJRNZBHQPAZ-OFGWUVNBSA-N 440.568 6.677 30 10 IKEE COc1cc(Br)cc(C=Nc2ccc(NC(=O)c3ccco3)c(C)c2)c1O 254623455 LIGHNHBFIGLEST-UHFFFAOYSA-N 429.270 5.068 30 10 IKEE COc1cc(C=NNc2ccc(C(=O)O)cc2)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 263627797 ZTZNHFCQSNIKHH-UHFFFAOYSA-N 446.503 5.356 30 10 IKEE C=C([C@H](NCCC)c1cc(Br)ccc1I)C(F)(F)F 388591019 LWFCJJWHTPXLEZ-LBPRGKRZSA-N 448.064 5.213 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(/C=C\C(=O)c2c(Cl)cccc2Br)cc1 405982220 NYMQTCOMHDBJTQ-XFXZXTDPSA-N 436.733 6.346 30 10 IKEE CC(C)COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccccn2)cc1 526517105 PXJDZLPFZOITPE-DEOSSOPVSA-N 425.488 5.045 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(Cl)cc2)c1 526606185 IIKMWVRGXACABS-HSZRJFAPSA-N 430.891 5.668 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1/N=C\c1ccc(OC(C)C)c(Cl)c1 526802565 GMRRKIABXKHVEV-MXAYSNPKSA-N 446.979 5.985 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1ccccc1C(=O)O 526814665 JVWDGIXRDJKDQD-KSEXSDGBSA-N 449.363 5.410 30 10 IKEE CCOc1cccc(/C=N\n2c(CC)nnc2SCc2ccccc2Cl)c1OC 526816555 JCRMMYMUJRFTFZ-QRVIBDJDSA-N 430.961 5.076 30 10 IKEE N#Cc1ccc(COCC2CCN(C(=O)c3ccccc3Oc3ccccc3)CC2)cc1 585222015 HQWLZFZSFSHLKP-UHFFFAOYSA-N 426.516 5.420 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)NC2CCN(C(=O)Nc3ccccc3CC)CC2)c1 585860467 UANZQOXPHQMGOX-UHFFFAOYSA-N 448.611 5.513 30 10 IKEE C=CCN(CC=C)C(=O)Nc1cccc(C(=O)Nc2ccc(Br)cc2C)c1 586673240 NADLVWOUVJTFBZ-UHFFFAOYSA-N 428.330 5.216 30 10 IKEE C=C1CC[C@H](OCCN)C/C1=C/C=C1\CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@H](C)CCCC(C)(C)O 605699510 FJYAYOSWWYKSBM-AEEDCTAISA-N 443.716 6.717 30 10 IKEE in-vitro O=S(=O)(Nc1ccccc1)c1ccc(N=Cc2ccccc2OCc2ccccc2)cc1 725425256 DRECXYXVCHWDOV-UHFFFAOYSA-N 442.540 5.817 30 10 IKEE C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCCCN(Cc2ccccc2)C1 1508017658 UHRSJZFLCNEYDX-LOSJGSFVSA-N 449.643 5.000 30 10 IKEE C=CCN1C(=O)[C@@H](Cc2cc(Cl)cc(Cl)c2)SC1=Nc1ccc(C(=O)O)cc1 1772727857 CYJHQGYNKDKACP-QGZVFWFLSA-N 435.332 5.052 30 10 IKEE O=C(O)c1cccc(N=C2S/C(=C\c3cccc(Cl)c3)C(=O)N2c2ccccc2)c1 1772734476 FSPIEJIBMLQAQA-QUXILYDTSA-N 434.904 5.847 30 10 IKEE CN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=Nc1nccs1 1772738537 UYYOEMLETZKOJY-WEHZRUJJSA-N 441.965 5.609 30 10 IKEE N#Cc1cnn(-c2ccccc2)c1NC(=O)c1cc2cc(Cl)cc(Br)c2o1 1859744235 XJYBRWRWFXUYFI-UHFFFAOYSA-N 441.672 5.158 30 10 IKEE CC(C)C[C@H](C)N(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 1859939794 FGEMJQAKKQVPIJ-ZDUSSCGKSA-N 435.383 6.945 30 10 IKEE CCCOc1ccc(/C=C/C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OC 1860728518 OWHCCVOPFPOTGF-XBXARRHUSA-N 441.833 5.377 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)/C=C/c1ccc(C(C)C)cc1 1861554687 RZAHDSMSEWFREQ-KLIIMXHUSA-N 428.661 6.365 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)COc1cc(Cl)ccc1Cl 1861651400 WDMXRSWLJHIXMM-LJQANCHMSA-N 445.431 5.524 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2ccc(CC)cc2)cc1 1862390535 GERPUXOBMYYMJC-XMMPIXPASA-N 435.564 5.206 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(CC)cc2)cc1 1862390843 NGOBHNQGJNIRKL-VWLOTQADSA-N 448.607 5.122 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(C)cc1 1862400864 OJJCQIAAZMZIHV-RUZDIDTESA-N 449.591 6.251 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCCc2ccccc2)c1 1862411247 CJQCQJIWPQXNRO-XMMPIXPASA-N 447.481 5.484 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CCCCC2)cc1 1862414116 RXCVBIOEOFOLIX-JOCHJYFZSA-N 425.475 5.438 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2[C@H](C)CC)cc1 1862440216 VJBLOUVQODVYRW-OPAMFIHVSA-N 441.955 5.896 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccccc2)cc1 1862515028 ONSMCZARXNRKEJ-IHLLOCCUSA-N 433.548 5.632 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@@H]2c2ccccc2)cc1 1862531642 ANSBHTVPQVYZNU-HSZRJFAPSA-N 431.919 5.681 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@@H]2c2ccccc2)cc1 1862531901 DWLWXOZEXNWXJR-RUZDIDTESA-N 425.528 5.378 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@@H]2c2ccccc2)cc1 1862532204 FUWZHYHEQTYFNM-HSZRJFAPSA-N 431.919 5.681 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2Cc2ccco2)cc1 1862580369 ICWYLNVRGFMAIR-HXUWFJFHSA-N 442.298 5.673 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccccc1C 1862613247 GGSUFRDEWMKHGQ-XMMPIXPASA-N 433.592 6.451 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C(C)C)ccc1O 1862622948 PWYKPJXNCVJEKZ-JOCHJYFZSA-N 437.536 5.075 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1ccccc1 1862637338 XNXRZDSOHIALQJ-HSZRJFAPSA-N 439.527 5.773 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc2ccccc12 1862678646 STCSCORPMWVWEU-WQWSHVPRSA-N 443.518 6.136 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(OCC)cc1 1862694780 RVIRVAMERIPJQZ-HSZRJFAPSA-N 437.536 5.253 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C(C)C)cc1 1862721967 UHTJMIYSMLOMAV-VWLOTQADSA-N 443.543 6.005 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862744153 LDPQIMAMOLRRGU-ZMZPIMSZSA-N 449.290 5.278 30 10 IKEE N#Cc1cccc(NC2=C(c3cccc4ccccc34)C(=O)N(Cc3cccs3)C2=O)c1 1863226070 ROHVHWOXZJXOMJ-UHFFFAOYSA-N 435.508 5.165 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N1CCN[C@@H](c2ccccc2)C1 1866342385 KFBOEUIVTIWUBC-HHHXNRCGSA-N 428.705 7.421 30 10 IKEE C=CCN(CC=C)C(=O)[C@](C)(CC)NC(=O)[C@H](c1ccc(Cl)c(Cl)c1)C(C)C 1868862374 ULYODOUTXAWHGM-UGKGYDQZSA-N 425.400 5.219 30 10 IKEE CCCCCCCCCCn1cc(OCc2ccc(F)cc2)c(=O)cc1CSC(C)C 1870169420 ADKFVIMUVMQXPR-UHFFFAOYSA-N 447.660 7.349 30 10 IKEE C=CCn1cc(OCCCOc2ccc(CC)cc2)c(=O)cc1CN(C)Cc1ccccc1 1870453941 FZPZSSSQTOVLHS-UHFFFAOYSA-N 446.591 5.077 30 10 IKEE CCCCCCCCn1cc(OCc2c(C)cccc2C)c(=O)cc1CN1CCCCC1 1870489054 BCEZPNZSVKJXFM-UHFFFAOYSA-N 438.656 6.391 30 10 IKEE C=CCn1cc(OCc2ccc(OC)c(F)c2)c(=O)cc1CNc1ccccc1C(C)C 1870806284 AWJBCTXHBSGHHJ-UHFFFAOYSA-N 436.527 5.497 30 10 IKEE C=CCOc1cn(Cc2ccccc2)c(CNc2ccc(N3CCC(C)CC3)cc2)cc1=O 1870810771 QUYJFGCFPHXMFH-UHFFFAOYSA-N 443.591 5.310 30 10 IKEE Cc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(CCOc3ccccc3)C4)C2=O)cc1 1871352406 HELCHKRJENDXRK-OYKKKHCWSA-N 427.500 5.151 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OC(=O)CCCOc3ccccc3C)ccc2C1=O 1871369620 VAGLZSWTSXVQLD-XYGWBWBKSA-N 428.484 5.684 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4C)ccc3C2=O)cc1 1871372591 ZZVWERLKJOSBDT-QRVIBDJDSA-N 445.427 5.137 30 10 IKEE Cc1cc(OC(=O)/C=C/c2cccs2)cc2c1C(=O)/C(=C/c1c(F)cccc1Cl)O2 1871381490 XPPHGIMSTITBDF-VOGWKXNRSA-N 440.879 6.084 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2cccc(F)c2)C3=O)c(C)c1 1871414356 TVUGDTRWLYEMTA-YNJLWJOVSA-N 445.490 5.773 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccc4ccccc4c3)cc(C)c2C1=O 1871419181 CMXIEOYPMFMQKT-YSMPRRRNSA-N 449.506 6.090 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc(Cl)c4)ccc3C2=O)cc1 1871454896 YXQYGCFHUPZAGZ-FMCGGJTJSA-N 433.891 5.536 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 1871458761 LDOUSYCPECNHQB-GXWRHTCTSA-N 425.484 5.439 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(C(C)C)cc2)[nH]c(N(C)CCCC)n1 1871504145 BMSSGPDNQBSMIF-UHFFFAOYSA-N 426.653 6.169 30 10 IKEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(=O)(=O)CCCC 1872209812 NEXOXDOLGSMOKQ-DEOSSOPVSA-N 442.625 5.387 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(C)cc1C)[C@@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872549256 UAGBTXKRPXLWAN-CYFREDJKSA-N 442.625 5.150 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NS(=O)(=O)c1ccc(C)c(C)c1)[C@@H](C)CC 1872612381 CJXMYOAEDIJWMB-WMZHIEFXSA-N 438.678 5.253 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3cc(C)ccc3OC)cs2)cc1OC 1872771413 UCTHAELEFUKBIK-QRBZPYHOSA-N 448.544 5.424 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3cc(C)ccc3C)cs2)cc1OC 1872772056 IURRMXJEJWCJFF-MFUYTVRRSA-N 432.545 5.724 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)n2)c(C)c1C 1872778778 UASCMONWBLRPPY-XMSQKQJNSA-N 448.588 6.203 30 10 IKEE N#C[C@@H](C(=O)Cc1c[nH]c2ccccc12)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872787164 CPRNKWBGLOFVHA-INIZCTEOSA-N 426.328 6.017 30 10 IKEE CCCCCCCCCCNC1=C(c2cccnc2)C(=O)N(Cc2cccs2)C1=O 1873077265 RLTGXMAKQDNNJS-UHFFFAOYSA-N 425.598 5.154 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCOCC)=C(c2ccccc2C)C1=O 1873105133 WWYUGYMCKRUMDO-UHFFFAOYSA-N 428.617 5.232 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C)cc2)=C(c2cc(F)c(F)cc2F)C1=O 1873242270 XDEIUOZWYVVHJS-UHFFFAOYSA-N 444.497 5.965 30 10 IKEE O=c1c(Cl)c(N/N=C/c2ccccc2Cl)cnn1-c1ccc(Cl)c(Cl)c1 1873529335 QOCOBYSUOVVSMO-GZIVZEMBSA-N 428.106 5.292 30 10 IKEE CCCCCCCCNc1ncnc2c1ccc(=O)n2-c1ccc(Cl)c([N+](=O)[O-])c1 1873538292 GRXHDNJMUZWAEG-UHFFFAOYSA-N 429.908 5.115 30 10 IKEE CCCSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1cccc(Cl)c1 1874223788 CYPRAWSPSQPUEA-KOEQRZSOSA-N 443.016 5.890 30 10 IKEE C=CCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1c(F)cccc1Cl 1874270403 UKYSIWPGORFFRG-CVKSISIWSA-N 436.943 5.975 30 10 IKEE CSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc(Cl)cc1Cl 1874276056 SGNCEFSVSZLODS-SSDVNMTOSA-N 425.772 5.628 30 10 IKEE Cc1ccc(/C=N/n2c(Cc3ccc(Cl)cc3)nnc2SCc2ccccc2C)cc1 1874336986 NGVXBRISZKGLEU-JVWAILMASA-N 447.007 6.314 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3F)n2/N=C/c2ccccn2)cc1C 1874358326 BEKJGUBXKDPJOG-JFLMPSFJSA-N 431.540 5.194 30 10 IKEE CCCOc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2)cc1 1874417013 UCKGDXPMWTZAMR-ZXVVBBHZSA-N 442.588 5.832 30 10 IKEE CC(C)(C)Cc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccccc1O 1874439564 IICIEQNQGAGRHH-WYMPLXKRSA-N 449.407 6.054 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2[C@H]2CCCO2)cc1 1874446077 SAKBJXBYRIGMAZ-LSCMLXDISA-N 426.973 5.520 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(OCC)cc1 1874480844 MBZANPNNGXVHTB-AFUMVMLFSA-N 446.979 5.986 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccccc3C)nnc2C(C)C)cc1OCC 1874510540 SOIYEGFABNREMC-MFKUBSTISA-N 438.597 5.682 30 10 IKEE Cc1ccccc1CSc1nnc(C(C)C)n1/N=C/c1cc(Br)ccc1F 1874510751 YRPSBFFTVMNYEG-FOKLQQMPSA-N 447.377 5.786 30 10 IKEE CC(C)c1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1cccc(Cl)c1 1874514828 IUVBPDVHGBOQRM-AUEPDCJTSA-N 439.799 6.536 30 10 IKEE CCCCCOc1ccc(/C=N/n2cnnc2SCCc2ccccc2)cc1OCC 1874538464 GQSLLVGANJRFSQ-NLRVBDNBSA-N 438.597 5.463 30 10 IKEE Cc1ccccc1COc1ccc(/C=N/n2c(S)nnc2[C@@H](C)c2ccccc2)cc1 1874561062 CAIVPWOWJIQNRO-JHKMYFMNSA-N 428.561 5.488 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)N[C@H](C)c2ccccc2)cc1 1874573591 VVKKIYYKLGJMEP-YVHXKWHWSA-N 441.571 6.182 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1OCc1cccc(C)c1 1874579576 WHKUYECKZPQJAI-ZRDIBKRKSA-N 427.327 6.786 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OCc1c(F)cccc1Cl 1874596067 MGELNWZCNMCNKO-UXBLZVDNSA-N 428.862 6.410 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OCC(=O)Nc2c(C)cccc2C)c1 1874600789 DBWFCGFBQRCWPR-ZRDIBKRKSA-N 449.934 5.879 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2cccc(OC)c2)cc1OC 1874605756 DQTHDSYQDLQWFD-WYMLVPIESA-N 445.515 5.180 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccc(Br)cc1 1874608155 ZDCKMLSEFRQMCZ-LICLKQGHSA-N 443.340 7.077 30 10 IKEE O=C(/C=C/c1ccc(OCCCO)c(Br)c1)c1ccc(Cl)c(Cl)c1 1874615479 AKPSZMTYTHHCRH-QHHAFSJGSA-N 430.125 5.413 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)cc1F 1874621270 CCPIYFCJABJFLA-VQHVLOKHSA-N 444.861 6.111 30 10 IKEE Cc1cccc(COc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2Br)c1 1874624895 BLCIDLLRYPSKTB-VZUCSPMQSA-N 425.297 6.372 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1Cl 1874637425 ZCFLKJMYMBLTHX-RVDMUPIBSA-N 428.915 6.977 30 10 IKEE CCCC(=O)Oc1cc(/C=C/C(=O)c2ccccc2Cl)c(Br)cc1OC 1874696657 KQGKEUDJMJZTHF-MDZDMXLPSA-N 437.717 5.713 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccc(F)c(C)c3)c2)cc1 1874700199 GIPGRTHYORWOMD-AWNIVKPZSA-N 448.490 5.586 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3ccccc3Br)c2)c1 1874703390 NIUXRHMWUVCOMX-OUKQBFOZSA-N 435.317 6.181 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2cc(Cl)ccc2Cl)c1)c1ccc2c(c1)OCO2 1874707726 TZWLTPDAXBBKPZ-XBXARRHUSA-N 441.266 5.837 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1OC(=O)c1ccccc1C 1874712697 LYQXTXLEIGFHJV-JLHYYAGUSA-N 430.500 5.744 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)c3ccccc3)c([N+](=O)[O-])c2)c1 1875102117 MORURVMOSPFRSQ-HVJHFUJKSA-N 431.444 5.209 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(C)c3)cc2OC)c1 1875108936 NSJIMSOSFRLYKU-FMIVXFBMSA-N 446.499 5.526 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3)c([N+](=O)[O-])c2)cc1 1875138686 UKONAROEMJCAGI-RIYZIHGNSA-N 431.444 5.499 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(-n4cccc4)cc3)cc2)cc1 1875149107 YSBPNKYVVYRXGZ-UFWORHAWSA-N 449.550 6.890 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)ccc1OC(=O)[C@@H](C)c1ccccc1 1875152043 KCHGIQXRCXTBSF-HGZMWJMZSA-N 448.490 5.838 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)CCc1ccccc1 1875157598 FPEQQNIRSKBRPO-RIYZIHGNSA-N 434.463 5.277 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)Cc1ccccc1F 1875157650 IMBANBBBUDFICV-IZZDOVSWSA-N 442.845 5.671 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] 1875162970 YQEFMOSPWTUKRS-YCRREMRBSA-N 441.361 5.056 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)cc2OC)cc(OC)c1OC(=O)CCCC 1875178213 YXDLEQLAMIUBMX-SDNWHVSQSA-N 438.520 5.433 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc(OC)c1OC(=O)C1CCC1 1875181882 BHQLVDKAVLSOOK-CMDGGOBGSA-N 444.911 5.276 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NC)[C@@H]1C[C@H](C(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1950371350 CSARNKHIZODWEK-XPWALMASSA-N 430.633 5.267 30 10 IKEE CN(CC[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl)C(=O)OC(C)(C)C 1980073357 CHVDSVSRTSBDOX-JOCHJYFZSA-N 437.968 5.621 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@@H](C#N)[C@@]1(C)CCCN1C(=O)OC(C)(C)C 2020798800 NSWFCUVYIDVAQL-FDDCHVKYSA-N 449.979 5.763 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCN(C(=O)OC(C)(C)C)C12CCCC2 2024623877 KGYCZSVKRGODFT-MHECFPHRSA-N 435.609 5.628 30 10 IKEE CCN[C@@H](CC#CC1CC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071265966 ZAEIECUWPZDEIJ-MHZLTWQESA-N 425.572 6.299 30 10 IKEE C#CCCC[C@H](NC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071354727 KZQAGMBMWOWVOL-LSYYVWMOSA-N 429.560 5.270 30 10 IKEE CC#CCCC[C@H](NCCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2073672351 SECNAHQYSWESCQ-DEOSSOPVSA-N 441.660 5.108 30 10 IKEE C#CC[C@@H](C)C[C@H](NCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2076084392 KLZAGRCFUXQOAG-KCWPFWIISA-N 427.588 6.545 30 10 IKEE CC1([C@@H](c2ccc(C(F)(F)F)cc2F)n2nc(C3CCC3)c(C=NO)c2Cl)CC1 2079927876 XTTCKTAHLYYYOL-QGZVFWFLSA-N 429.845 6.160 30 10 IKEE C=CCN(CC[C@H](NCC)c1cc(F)c(Br)c(F)c1)C(=O)OC(C)(C)C 2142189418 UGODKRONGQVCLP-INIZCTEOSA-N 433.337 5.191 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)c(F)c1F 2159121362 SYKMVAHWFVFSCH-MAUKXSAKSA-N 445.348 5.075 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@@](C#N)(Nc3cccc(Br)c3)C[C@@H]21 2166981188 YFXYLMORXYYKOQ-FYINFDKHSA-N 434.378 5.323 30 10 IKEE CC(C)(C)OC(=O)Nc1c(F)cccc1C(=O)Nc1ccc(C#N)c(Br)c1 2181141803 PIZAETAOFNPGLU-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE N[C@@H](C#Cc1ccccc1Br)c1scc(Br)c1Br 2220261414 YJFVUFHFRJGTNZ-NSHDSACASA-N 449.993 5.087 30 10 IKEE CC[C@H](CCNC(=O)OC(C)(C)C)CC[C@H](C#Cc1ccccc1Br)NC 2235731610 QTFDSWVYCBNSEC-PKOBYXMFSA-N 437.422 5.110 30 10 IKEE CN[C@H](C#Cc1ccccc1Br)[C@@H](CCC(C)(C)C)NC(=O)OC(C)(C)C 2235747347 PELLJJFFWKWQCM-RTBURBONSA-N 437.422 5.108 30 10 IKEE C=CCC[C@H](C)[C@@H](NCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237405109 NIRZCQBEHCPKPG-FFZOFVMBSA-N 439.438 5.465 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Cl)c(Oc2cccc(B3OC(C)(C)C(C)(C)O3)n2)c1 2255350214 SLOHSSJDKZIYEL-UHFFFAOYSA-N 446.740 5.174 30 10 IKEE C=CC[C@@H](CNC(=O)OC(C)(C)C)COc1nc2ccc(Br)cc2s1 2264302334 VJMCPIUHKCDJIV-LBPRGKRZSA-N 427.364 5.155 30 10 IKEE CC1(C)CC[C@@H](Nc2c(Br)cccc2C#N)[C@H](CNC(=O)OC(C)(C)C)C1 2285178461 FPWMYEAWXDDNOQ-DOTOQJQBSA-N 436.394 5.452 30 10 IKEE C=C([C@@](C)(OCC(=O)O)c1cc(Br)c(Br)s1)[Si](C)(C)C 2292254958 ZXJOPOPAWULBLX-CYBMUJFWSA-N 442.245 5.023 30 10 IKEE C=CCN1C(=O)C(=Cc2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)SC1=S 2294013892 JPSNDBIGCHQUHO-UHFFFAOYSA-N 430.598 6.148 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CC(=O)C#Cc2cccc(Br)c2)CC1 2296225964 AOXVWBJLTHWBGP-IYARVYRRSA-N 434.374 5.091 30 10 IKEE CCC(=O)C=Cc1cc(Br)c(OCc2ccc(F)cc2Cl)c(OC)c1 2296515080 NFNBNMZZEGADNF-UHFFFAOYSA-N 427.697 5.822 30 10 IKEE Cc1ccc(N=C2SC(=C3Sc4ccccc4N3C)C(=O)N2c2ccccc2)cc1 2297550103 UEJXYZVJWOOHTC-UHFFFAOYSA-N 429.570 6.174 30 10 IKEE CCOC(=O)[C@H](Oc1ccc2c(c1)OC(=Cc1ccc(C(C)C)cc1)C2=O)c1ccccc1 2314437972 CKCKEHADIZCAEX-HHHXNRCGSA-N 442.511 6.109 30 10 IKEE O=C1C(=Cc2ccccn2)SC(=Nc2nc(-c3ccccc3)cs2)N1c1ccccc1 2314543561 HFMJUDXIMURBTB-UHFFFAOYSA-N 440.553 6.014 30 10 IKEE Cc1cccc(C=Nn2c(Cc3ccccc3)nnc2SCc2cccc3ccccc23)c1 2318571673 PORMEZWBZFQRIP-UHFFFAOYSA-N 448.595 6.505 30 10 IKEE Cc1ccc(COc2ccc(C=Nn3c(S)nnc3COCc3ccccc3)cc2)cc1 2322016185 VATGSKORJHQNJD-UHFFFAOYSA-N 444.560 5.053 30 10 IKEE CCN(CC)CCCCN1COc2ccc3c(c2C1)OC(=CC=Cc1ccccc1)C3=O 2322122887 XPANTUWYTRDRJW-UHFFFAOYSA-N 432.564 5.133 30 10 IKEE O=C(C=Cc1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc12)c1ccccc1 2322545556 YBWYCNMLMKEMMP-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE CCCOC(=O)COc1ccc(Cl)cc1C=CC(=O)c1cc(C(C)(C)C)ccc1OC 2322775132 UDRDXXWBFMSXGU-UHFFFAOYSA-N 444.955 5.874 30 10 IKEE Cc1c(OC(=O)c2ccc(F)cc2)ccc2c1OC(=Cc1c(Cl)cccc1Cl)C2=O 2322781763 PJEMZLGNAOOJCL-UHFFFAOYSA-N 443.257 6.276 30 10 IKEE Cc1ccc(NC(=O)COc2ccccc2C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1 2322952841 LXBRAHQKTXELFN-UHFFFAOYSA-N 441.571 6.515 30 10 IKEE COc1cccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)c1OCC(=O)OCC(C)C 2322969054 PAEJLLIOIPEKMJ-UHFFFAOYSA-N 438.564 5.775 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(OC)c(OC)c2OC)c1OCCc1ccccc1 2323038852 BZHWLFQVOHTFHT-UHFFFAOYSA-N 448.515 5.239 30 10 IKEE CCCOc1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccccn2)C3=O)cc1 2323460730 CRUJEBKARYRNJD-UHFFFAOYSA-N 441.483 5.414 30 10 IKEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)CCC(C)(C)C[C@H]1CNC(=O)OC(C)(C)C 2323467653 VEONHUJWUTXNGA-LVXARBLLSA-N 444.616 5.239 30 10 IKEE COc1cc(Br)cc(C=NNc2nc(-c3ccc(C)c(C)c3)cs2)c1OC 2323840728 PGSJGSGKIABYQF-UHFFFAOYSA-N 446.370 5.653 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OCc3c(F)cccc3Cl)c(Cl)c2)c1 2323944084 PHWIGZNCNDHAMQ-UHFFFAOYSA-N 429.318 7.224 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OCc3ccccc3Cl)c([N+](=O)[O-])c2)cc1 2324161909 ZTTRPIIKRSYQMA-UHFFFAOYSA-N 435.907 6.847 30 10 IKEE CCn1cc(C=C2Oc3cc(OCCCc4ccccc4)cc(C)c3C2=O)c2ccccc21 2324272553 WNRCOKZKHLTTIP-UHFFFAOYSA-N 437.539 6.597 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2cccc(F)c2)C3=O)cc1 2324483942 BVXNCENJLHHWDZ-KRWDZBQOSA-N 445.490 5.719 30 10 IKEE N#C[C@H](C(=O)C=Cc1cccc(Cl)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2324534957 SNKABGYINUVKRY-OAHLLOKOSA-N 433.747 6.660 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)c(C)c1 2324545483 QEZJIUOXZQBORE-UHFFFAOYSA-N 425.355 7.394 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCCCCOc4ccccc4)cc(C)c3C2=O)cc1 2324585045 RNIHEWKJPBIFMV-UHFFFAOYSA-N 444.527 6.248 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc(F)c2)c(Cl)c1)c1cc(Cl)ccc1Cl 2324652214 LRADDLILFPFYAN-UHFFFAOYSA-N 435.709 7.261 30 10 IKEE Cc1cc(OCCOc2ccc(C(C)(C)C)cc2)cc2c1C(=O)C(=Cc1ccccc1)O2 2324688341 WUQSZYDCFAHRTB-UHFFFAOYSA-N 428.528 6.367 30 10 IKEE COc1ccc(CCOc2cc(C)c3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)cc1 2325631642 SEWXERBPYKDAJN-UHFFFAOYSA-N 431.444 5.150 30 10 IKEE CCc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2325722766 WFYUMZSCSYZCNM-UHFFFAOYSA-N 447.918 5.845 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OC(=O)Cc1ccc(C)c(C)c1 2325735138 WCUJSUBNAHYVGN-UHFFFAOYSA-N 428.528 5.973 30 10 IKEE CCc1ccccc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1cccc(OC)c1)C2=O 2325737407 NNSNXOMBVYSSLB-UHFFFAOYSA-N 443.499 5.200 30 10 IKEE C=CCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccncc1 2325812405 JFPOZOVQHRDHLS-UHFFFAOYSA-N 441.988 5.115 30 10 IKEE C=CCSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1ccccc1O 2325883895 KWGJNVPLAKCSGF-UHFFFAOYSA-N 444.560 5.309 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCC(=C)C)n1N=Cc1ccc(F)cc1 2326460807 ATTORJNNPOBNCK-UHFFFAOYSA-N 438.528 5.111 30 10 IKEE CCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccccc1OC(C)C 2326513724 KQDRLKMXVGGFBH-UHFFFAOYSA-N 444.988 5.600 30 10 IKEE CCOc1c(Cl)cc(C=Nn2cnnc2SCc2ccccc2Cl)cc1Cl 2326532914 TUXSGOSXJRFUAK-UHFFFAOYSA-N 441.771 5.812 30 10 IKEE CCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1cc(Cl)c(O)c(Cl)c1 2326592203 PNSRGBPTPOMLCJ-UHFFFAOYSA-N 435.380 5.644 30 10 IKEE Cc1cccc(CSc2nnc(COc3c(C)ccc(C)c3C)n2N=Cc2ccco2)c1 2327252166 XQVZUBPQOQFUKC-UHFFFAOYSA-N 446.576 5.858 30 10 IKEE CCCOc1ccc(C=Nn2c(CCc3ccccc3Cl)nnc2SCC)cc1 2327944175 AFIPOQZUQWWZRO-UHFFFAOYSA-N 428.989 5.500 30 10 IKEE CCCCC1CCC(c2nnc(SCC)n2N=Cc2cccc(OC)c2OC)CC1 2328150329 AVRYOHDSLXSZIT-UHFFFAOYSA-N 430.618 5.754 30 10 IKEE C=CCSc1nnc(COc2ccc(OC)cc2)n1N=Cc1ccc(C(C)(C)C)cc1 2328403521 XWVKCGVVECTWCR-UHFFFAOYSA-N 436.581 5.324 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccc(C)cc3)n2N=Cc2ccccc2C)cc1 2329242476 UFKDOHYOOYEVDP-UHFFFAOYSA-N 442.588 5.669 30 10 IKEE COc1ccc(Cc2nnc(SCc3cccc(C)c3)n2N=Cc2ccc(F)cc2)cc1 2329252564 FRXYQKIIIWTERL-UHFFFAOYSA-N 446.551 5.500 30 10 IKEE Cc1ccc(CSc2nnc(COCc3ccccc3)n2N=Cc2ccc(F)cc2)cc1 2329303264 QSVURRBGXFMFNN-UHFFFAOYSA-N 446.551 5.617 30 10 IKEE COc1cccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2C)c1 2329803605 SRGCYSYUGRJQHB-UHFFFAOYSA-N 446.551 5.500 30 10 IKEE C=C(C)CSc1nnc(Cc2ccccc2)n1N=Cc1cc(Br)ccc1F 2330485752 WXVJVMWPDCQMDT-UHFFFAOYSA-N 445.361 5.321 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)CC(C)(C)C)c(OC)c2)cc1OC 2330705870 OKDZMICDEMJXKK-UHFFFAOYSA-N 446.927 5.604 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)CCc3ccccc3)c(OC)c2)cc1 2330959090 CYWDSQLICKBBKG-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE Oc1ccc(Cl)cc1C=Nn1c(SCc2cccc(F)c2)nnc1C1CCCC1 2331049634 XUNIRUNDWCGCJI-UHFFFAOYSA-N 430.936 5.608 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 2331136161 XKXLXLRVJYQVPJ-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Br)c(OC(=O)CC)c(OC)c2)cc1 2331205497 ZPZFMDGYRVIVLF-UHFFFAOYSA-N 433.298 5.068 30 10 IKEE COCCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccc(Cl)c(Cl)c1 2331256640 JLKKPRYXBIRBSS-UHFFFAOYSA-N 435.380 5.257 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3c(F)cccc3Cl)c(Cl)c2)cc1 2331266062 VCRXSBOFQUROEY-UHFFFAOYSA-N 429.274 6.556 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1cc(C)ccc1O 2331349425 RMIGYVYJSYSIRH-UHFFFAOYSA-N 449.407 6.116 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(Cl)cc2)n1N=Cc1c(F)cccc1Cl 2331405536 UKLXVFDPFCNWLS-UHFFFAOYSA-N 437.371 6.196 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1cccc(O)c1 2331411985 ZDSVKFFKYLIOSO-UHFFFAOYSA-N 435.380 5.763 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C2CCC2)c(Br)c1)c1cccc2ccccc12 2331473595 LZXNDBDQGWITJC-UHFFFAOYSA-N 435.317 6.204 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c(OC)c1 2331716949 UQVORAILVSDCRD-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(OC)c3)cc2)c(OCC)c1 2331731233 QZTBRKLOONMQGJ-UHFFFAOYSA-N 446.499 5.608 30 10 IKEE CC1(C)OB(c2ccc(Oc3ccc(OCc4ccccc4)cc3)c(C#N)c2)OC1(C)C 2339445086 XWVSLDZVVJTYAX-UHFFFAOYSA-N 427.309 5.229 30 10 IKEE CC[C@H](CCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)CNC(=O)OC(C)(C)C 2339595525 BRNPYRAGYRPSDU-GOSISDBHSA-N 446.397 5.046 30 10 IKEE C[C@@H](Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)c1cscc1Br 2365102792 FAANRPMOHSDHFT-CYBMUJFWSA-N 435.196 5.723 30 10 IKEE O=C1CCCC2=C1[C@@H](c1cccc(F)c1)n1nc(SCc3ccccc3Cl)nc1N2 1283583 PLNBLLCZNYBXKP-HXUWFJFHSA-N 440.931 5.385 30 10 IKEE Cc1ccc(S(=O)(=O)/N=C2\C=C(SCc3ccccc3)C(=O)c3ccccc32)cc1 8898296 ADSZKAGKDYDNBC-YYDJUVGSSA-N 433.554 5.187 30 10 IKEE CC1(C)Cc2c(sc(NC(=O)CCCSc3ccc(Cl)cc3)c2C#N)C(C)(C)N1 9910787 PWLMQWOVXKNMHK-UHFFFAOYSA-N 448.057 5.944 30 10 IKEE Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C(C)(C)C)cc2)cc1 21246936 HSIVORLPUNALDS-MNNSJKJDSA-N 436.599 7.272 30 10 IKEE Cc1cc(C)cc(/N=C(/NC(=O)c2ccccc2)N2CCN(c3cc(C)ccc3C)CC2)c1 32946327 ZAGPJLJEKMQVNP-UHFFFAOYSA-N 440.591 5.160 30 10 IKEE O=C1N/C(=N/c2ccccc2C(F)(F)F)S/C1=C/c1ccccc1OC1CCCC1 34771969 WGTKSOJNPQSDIT-CPNJWEJPSA-N 432.467 5.918 30 10 IKEE C=CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C)c(C)c2)cc1 39872394 NHFKWXWAWGVIIE-RUZDIDTESA-N 437.495 5.724 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@H]1c1cccc(OCC)c1 40078270 RTOZYQQHKRZDQJ-HSZRJFAPSA-N 437.536 5.253 30 10 IKEE COc1ccccc1CC(=O)Nc1cc(Cl)c([C@H](C#N)c2ccc(Cl)cc2)cc1C 59240082 QBZXFAPURZPPPP-HXUWFJFHSA-N 439.342 6.147 30 10 IKEE Cc1ccc(/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1Cl 59679592 BELSBWUUODIJJB-LSHDLFTRSA-N 441.177 7.559 30 10 IKEE Cc1nc2ccccc2c(-c2ccc(Cl)cc2)c1C(=O)/C=C\c1ccc2c(c1)OCO2 96298496 JEEMAYIDKRNHOD-SDQBBNPISA-N 427.887 6.488 30 10 IKEE COc1cc(/C=C/C(=O)Nc2ccccc2SCCC#N)cc(Cl)c1OC(C)C 97553838 RPADDIOLTIQOIW-MDZDMXLPSA-N 430.957 5.793 30 10 IKEE CCCCCCCOc1ccc(NCCNc2cccc(OCCCCCC)c2)cc1 100054351 YKUFCAWMFHKIIB-UHFFFAOYSA-N 426.645 7.519 30 10 IKEE CCCCCCCC(=O)Nc1ccc(N2CCc3ccccc3C2)c(C(=O)NC(C)C)c1 102993517 LCFFMULAEPOHDP-UHFFFAOYSA-N 435.612 5.687 30 10 IKEE CN(Cc1ccccc1NC(=O)/C=C/c1cn(CCC#N)c2ccccc12)C1CCCCC1 105572180 YJSFNWXRANQGCB-WUKNDPDISA-N 440.591 5.971 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2OC)cc1 169940701 OTHDTQYWNMRAIY-QHCPKHFHSA-N 447.462 5.016 30 10 IKEE COc1cc(/C=C2\CN(Cc3ccccc3)CCC2=O)ccc1OCc1ccc(C)cc1 169943059 RDDDKHVWTNGDID-PCLIKHOPSA-N 427.544 5.441 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2sc(C)nc2C)=C(O)C(=O)N1c1ccc(C)c(C)c1 169943437 MJVHDFOQVIIHLB-OAQYLSRUSA-N 448.544 5.168 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccc(O)cc2)c1 169960111 WNQKYYWHLOSCAP-XMMPIXPASA-N 427.500 5.409 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2cccs2)cc1 169982123 ZZCGNKKPDAZWHJ-JOCHJYFZSA-N 432.545 5.159 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1cccs1 169988005 OFRWTHYGTSJCMX-NRFANRHFSA-N 425.456 5.128 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@H]2c2cccnc2)c1 170009386 OYKLRGFIPIDAEF-QFIPXVFZSA-N 432.907 5.443 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccncc2)c1 170025547 OKZZZUZCPYJWKZ-XMMPIXPASA-N 438.483 5.223 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2Cc2ccco2)cc1 170067218 HKNLUPIJCNDBAU-XMMPIXPASA-N 443.499 5.116 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)cc1 170071414 VTANATPDWUOHFI-NRFANRHFSA-N 432.838 5.134 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2sccc2C)c1 170106107 YCWSTDXGGSICTE-QFIPXVFZSA-N 447.556 5.855 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1cccc(C)c1 170140100 DJDPGUMKPLLIRL-HSZRJFAPSA-N 445.490 5.542 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)c1 170159673 XVLNXAPLTBWIAD-FQEVSTJZSA-N 439.920 5.501 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2cccnc2)cc1C 170186962 BOIJRCMKULHNNC-DEOSSOPVSA-N 442.515 5.269 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)c(OC)cc3C)[C@H]2c2ccncc2)cc1 170201360 CDIMMIVSKAZIOT-XMMPIXPASA-N 442.515 5.052 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2C2CCCC2)c1 170218587 PJQPCWORGZYWCO-HSZRJFAPSA-N 430.504 5.088 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccc2)cc1Cl 170222726 WNJMLUISFFXZJT-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccccc1 170227096 XAQZWPGUSYNJIQ-QHCPKHFHSA-N 427.500 5.403 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccccc2)c1 170229415 TZTGUWASJXFKHT-QHCPKHFHSA-N 449.453 5.535 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccccc1 170230807 ZNUJMCXFCRRFQE-DEOSSOPVSA-N 440.543 5.466 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(F)cc1 170239626 XTBYJNRRIAUZAM-XMMPIXPASA-N 443.518 6.215 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccccc2F)cc1 170248882 HBEWCIQAJUONHG-QHCPKHFHSA-N 447.462 5.103 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccco2)cc1Cl 170288267 GABIREMPZHFIAT-QHCPKHFHSA-N 447.918 5.903 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2c2ccccc2C)o1 170305421 KIKNVQWWDUWHAI-QHCPKHFHSA-N 431.488 5.467 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1c(C)[nH]c2ccccc12 170311899 MPRQRJPJZXARII-VWLOTQADSA-N 438.527 6.008 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(O)c1)c1ccccc1 170385910 YVAGNNSBKRGLPJ-HXUWFJFHSA-N 440.282 5.482 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(OC(C)C)cc2)cc1 170393501 LVFUGDNCTSEUSB-HSZRJFAPSA-N 431.488 5.412 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c[nH]c3ccccc13)N2 226876185 WHZBANUYPOABQG-KCPMXOJXSA-N 445.588 5.357 30 10 IKEE Cc1ccc(-c2csc(NN=Cc3ccc(OC(=O)c4cccc(C)c4)cc3)n2)cc1 252461053 KFEZUKLYFFFVLZ-UHFFFAOYSA-N 427.529 6.092 30 10 IKEE O=c1oc2ccccc2cc1-c1ccc(N=C/C=C\c2ccc(Br)cc2)cc1 254493148 OSZCMIRKLTVHCW-KXTSTWDBSA-N 430.301 6.638 30 10 IKEE Oc1ccccc1C=Nc1ccccc1SCc1csc(-c2ccc(Cl)cc2)n1 254500675 ZBTVKKASNMLSID-UHFFFAOYSA-N 436.989 7.212 30 10 IKEE Cc1onc(-c2ccccc2)c1-c1csc(NN=Cc2c(Cl)cccc2Cl)n1 254838918 OUGJWGOGJDMGPE-UHFFFAOYSA-N 429.332 6.526 30 10 IKEE COc1ccc(/C=C2/Oc3c(ccc4c3[C@@H](c3ccc(O)c(Cl)c3)CC(=O)O4)C2=O)cc1 504687661 OGVUEVZLBVSKDA-LYUVJKPTSA-N 448.858 5.111 30 10 IKEE CCOc1ccc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526488418 OCYOJEGSACTYEK-HSZRJFAPSA-N 430.891 5.668 30 10 IKEE CC(C)COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccnc2)c1 526517619 SMPLFBRALSRFSI-DEOSSOPVSA-N 425.488 5.045 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccc(F)cc2)cc1 526805358 KTCLXNBDIUPCKW-PKAZHMFMSA-N 430.552 5.685 30 10 IKEE CCOc1c(Cl)cc(/C=N\n2c(C)nnc2SCc2ccc(C)cc2C)cc1Cl 526810967 WJMODPIKWDHQME-MYKKPKGFSA-N 449.407 6.083 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1ccccc1C(F)(F)F 526822757 NRDWWMPBFPBLSR-VYYCAZPPSA-N 443.498 5.686 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)Nc3ccc(F)cc3)C2)c1 585881881 ZSEYZFNYFFMZJC-QFIPXVFZSA-N 438.547 5.090 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)cc(Br)cc1F 689351715 RYJKRCAMERKLRB-WBVHZDCISA-N 433.337 5.237 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(Br)c(C)s1 698372874 JTBARAIELBYFEB-HNNXBMFYSA-N 437.359 5.834 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2ccc(Cl)c(Br)c2)c1 698419702 PWAZYLMBSACFKV-GOSISDBHSA-N 435.749 6.417 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCCC12CCOCC2 698481468 HIZRBKLILAHKDW-NRFANRHFSA-N 435.362 5.434 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@@H]1[C@H]1CCCCN1C(=O)OC(C)(C)C 698836511 BPKCMVZEDIZFJJ-FHAGJXEFSA-N 449.636 5.732 30 10 IKEE C[C@@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)CN1C(=O)OC(C)(C)C 698871284 UFIGSLPCNPLWMV-MWTRTKDXSA-N 433.524 5.249 30 10 IKEE C=CC[C@@H](C)[C@H](NCCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 715785624 BTETVLJCYZJXAD-AHRSYUTCSA-N 439.438 5.465 30 10 IKEE C[C@H](Sc1n[nH]c(NN=Cc2ccc(Cl)cc2Cl)n1)c1nnc(C2CCC2)o1 1084465016 NZZZEZCTLJMVNU-VIFPVBQESA-N 438.344 5.061 30 10 IKEE C#Cc1cccc(N(CC)C(=O)CNc2nc(C)nc3sc(-c4ccccc4)cc23)c1 1542919791 YWELRRZAUZAQCC-UHFFFAOYSA-N 426.545 5.113 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=Nc1ccc(C)cc1 1772724604 BCRQYGMINNJOLS-LAJNNLEESA-N 445.500 5.953 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(-c3ccccc3)o2)SC1=Nc1ccc(OCC)cc1 1772725122 YGQAKRRBEDEGJF-CMEWOCMCSA-N 430.529 6.135 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc(OCC(=O)c3ccc(-c4ccccc4)cc3)c2)c1 1860133709 XEDNDKIXQLHYOY-UHFFFAOYSA-N 432.479 5.739 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCSC)NC(=O)/C=C/c1ccc(C(C)C)cc1 1861554656 RIPDVEQZHCYRQB-IGVGMEOHSA-N 432.674 5.538 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862414185 UKMCKLJILDWAFH-GYCJOSAFSA-N 447.481 5.867 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)c1 1862431441 HMMNINZQJCPZOV-RBQRDFNRSA-N 439.939 5.506 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862437026 IATSBERTSGEUHA-BTYIYWSLSA-N 427.928 5.506 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc2cc[nH]c2c1 1862561265 RSPNYMDEMAUBNJ-GYCJOSAFSA-N 437.499 5.090 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C2CC2)cc1 1862585889 HFUNKBVZSXBENW-HXUWFJFHSA-N 446.330 5.523 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862706218 QMWUQHDQOJFDDC-FQEVSTJZSA-N 448.346 5.771 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CC)cc1 1862722382 ZAURAXLEGDVHGZ-DEOSSOPVSA-N 429.516 5.617 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(Cl)cc1 1862725900 UTOQBVIGCZAQJW-DEOSSOPVSA-N 445.946 6.241 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(F)cc2)C1=O 1862750426 VPRIAHAOFMQUAX-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE CC(C)COc1ccc(NC2=C(c3cccs3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1863110553 ULLIALZGEKANKN-UHFFFAOYSA-N 443.528 5.051 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(C)c(C)c2)C(=O)N(CCCCC)C1=O 1863604976 WXDIBCVUNVYREJ-UHFFFAOYSA-N 426.645 6.304 30 10 IKEE C[C@@H](CC(=O)N[C@@H](C(=O)Nc1cccc(C#N)c1)c1ccccc1)c1ccc(Cl)cc1 1866715017 PETJQLQLOJQYGL-BXKMTCNYSA-N 431.923 5.201 30 10 IKEE COc1ccc(OC2CCN(c3cc(Nc4ccccc4C#N)nc(C(C)C)n3)CC2)cc1 1868238329 NYGCYAAVTKRTIM-UHFFFAOYSA-N 443.551 5.272 30 10 IKEE C=CCn1cc(OCCCCOc2ccc(C)cc2)c(=O)cc1CN(CCC)CCC 1870320226 OMCZCVDZIVIKNX-UHFFFAOYSA-N 426.601 5.203 30 10 IKEE CCCCCCCCn1cc(OCc2cccc(OC)c2)c(=O)cc1CN(CC)CC 1870608774 UYVKSAKSQSSVOH-UHFFFAOYSA-N 428.617 5.638 30 10 IKEE CCCCCCCCn1cc(OCCC)c(=O)cc1CN1CCN(c2ccccc2)CC1 1870658473 MMCWZUUXQLRITG-UHFFFAOYSA-N 439.644 5.320 30 10 IKEE CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1cc(Cl)cc(Cl)c1 1871252188 OGBNXNIMDWHFRM-UHFFFAOYSA-N 428.319 5.238 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc4c3CN([C@@H]3CCCC[C@@H]3C)CO4)C2=O)c1OC 1871350592 MBXIWYLIWLHYQS-UZBCCDKOSA-N 435.520 5.051 30 10 IKEE CCCCCN1COc2c(cc3c(c2C)O/C(=C\c2ccc(Cl)cc2Cl)C3=O)C1 1871352641 VKWABPFWEJFOSD-JMIUGGIZSA-N 432.347 6.260 30 10 IKEE COc1cccc(/C=C2\Oc3c(cc4c(c3C)OCN(C3CCCCCC3)C4)C2=O)c1OC 1871353137 GWXKRKWLKDFQTN-UCQKPKSFSA-N 449.547 5.503 30 10 IKEE Cc1c(OC(=O)c2ccc(F)c(F)c2F)ccc2c1O/C(=C\c1ccc(F)cc1)C2=O 1871370538 QMCJZNZGEJEVEW-ZDLGFXPLSA-N 428.337 5.387 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871375678 XPHKQWZGTUVQFU-UCQKPKSFSA-N 432.447 5.297 30 10 IKEE Cc1cccc(OCCOc2cc(C)c3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)c1 1871405242 BFDSVRBKCTYSND-CFRMEGHHSA-N 430.456 5.106 30 10 IKEE Cc1cc(OCCOc2ccc(C(C)(C)C)cc2)cc2c1C(=O)/C(=C/c1cccs1)O2 1871415044 SSRFNDRHBZZNSA-KQWNVCNZSA-N 434.557 6.428 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccc(C#N)cc4)ccc3C2=O)cc1 1871435835 DLWKDUKUZDOFNQ-MQKZQLNTSA-N 438.483 5.143 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc5ccccc45)ccc3C2=O)c1 1871452960 YOYZTZIKPGCVSS-YSMPRRRNSA-N 435.479 5.782 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1C 1871458989 KEBAWXUJMMXEHF-FMCGGJTJSA-N 447.918 5.899 30 10 IKEE C=CCN([C@@H](CC)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1871802596 BWAUWNBXSFOYIG-NRFANRHFSA-N 449.016 5.168 30 10 IKEE C=CCN([C@H](CCC)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1cc(C)ccc1C 1871834258 ACTGBLQBZGJJBI-HSZRJFAPSA-N 442.625 5.411 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1ccc(Cl)cc1 1872083719 MMYSVGAPUSLQRM-QFIPXVFZSA-N 449.016 5.277 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccccc1CC)S(=O)(=O)c1ccccc1 1872475971 XBAKMMFCWMTCQZ-QHCPKHFHSA-N 428.598 5.013 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)cc1C)c1ccccc1)S(=O)(=O)c1ccccc1 1872532201 DSMULXOKFYLTKZ-VWLOTQADSA-N 448.588 5.250 30 10 IKEE CCc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(Cl)cc3Cl)n2)cc1 1872761276 JVPZKWRDEJTUSU-XSFOEPMVSA-N 427.356 6.569 30 10 IKEE CC(=O)Oc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 1872762569 QJMRHMVJWNIHSF-MRXNPFEDSA-N 431.300 5.532 30 10 IKEE N#C[C@H](C(=O)/C=C/c1ccccc1Cl)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872762793 WRYDDDFXGVIRDF-SBJJXXPASA-N 433.747 6.660 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCOC)=C(c2c(C)cc(C)cc2C)C1=O 1873117715 TUUFMVAOGJVLDF-UHFFFAOYSA-N 442.644 5.459 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(OCCC)c2)=C(c2cccnc2)C1=O 1873269133 MAZYCHHFTGCAJI-UHFFFAOYSA-N 435.568 5.423 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2[C@@H](C)CC)=C(c2cccc(Cl)c2Cl)C1=O 1873342062 QRHLMRYUFHTOIP-AWEZNQCLSA-N 429.347 5.885 30 10 IKEE C=CCN(CC=C)c1nc(Nc2ccccc2OCCC)c2cnn(-c3ccccc3)c2n1 1873481739 NERJHHTZRXAYIP-UHFFFAOYSA-N 440.551 5.526 30 10 IKEE N#Cc1cccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(Cc3ccco3)C23CCCCC3)c1 1873866667 KJOPMKAHOWYDHV-DEOSSOPVSA-N 439.515 5.232 30 10 IKEE CCCCCCCCNC(=O)[C@@H]1CS[C@@H](c2ccccc2)N1C(=O)c1ccc(C)cc1 1873886063 FSKDTLKUTLQINT-OZXSUGGESA-N 438.637 5.728 30 10 IKEE CCOc1ccc(/C=N/n2c(COc3ccc(Cl)cc3Cl)nnc2SC)cc1 1874203590 JNPCBPPBISLMOZ-SSDVNMTOSA-N 437.352 5.167 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1ccc(CC)cc1 1874224323 DZILFLFHENIXOM-LGUFXXKBSA-N 434.609 5.575 30 10 IKEE C=CCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1c(F)cccc1Cl 1874279933 VGNXIGDFCQKKRY-ZMOGYAJESA-N 435.355 5.670 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccc(C)cc3)n2/N=C/c2ccc[nH]2)CC1 1874285916 FSSMMIWKLDKTHE-WPWMEQJKSA-N 435.641 6.553 30 10 IKEE O=[N+]([O-])c1ccccc1Cc1nnc(SCCc2ccccc2)n1/N=C/c1cccs1 1874297391 ZJQIQLPZYIAMPQ-XQNSMLJCSA-N 449.561 5.056 30 10 IKEE CCOc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2ccccc2)cc1 1874303416 XMCUWMGNOCQFNM-NHFJDJAPSA-N 442.588 5.485 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2)n1/N=C/c1ccc(Cl)cc1Cl 1874317922 RFNIQRSIKCIZLA-BUVRLJJBSA-N 449.407 5.981 30 10 IKEE Oc1cccc(/C=N/n2c(COCc3ccccc3)nnc2SCc2cccc(F)c2)c1 1874354232 YYDMJMFSZYOXAX-VULFUBBASA-N 448.523 5.014 30 10 IKEE C=CCSc1nnc(CCc2ccccc2C)n1/N=C/c1c(Cl)cccc1Cl 1874362338 ZPTVUSGRYOFRME-ZVHZXABRSA-N 431.392 5.839 30 10 IKEE Cc1cccc(/C=N/n2c(CCc3cccs3)nnc2SCc2cc(C)ccc2C)c1 1874371788 RGICJZPHFYBZCY-WGOQTCKBSA-N 446.645 6.225 30 10 IKEE CCCSc1nnc(CC2CCCCC2)n1/N=C/c1cc(Br)ccc1O 1874408793 QGQFWPJUCOBJAE-FYJGNVAPSA-N 437.407 5.253 30 10 IKEE C=CCSc1nnc(CC2CCCCC2)n1/N=C/c1ccc(OCC)c(OCC)c1 1874409207 KOSDQWRADUIBJU-JJIBRWJFSA-N 428.602 5.359 30 10 IKEE COc1cccc(/C=N/n2c(Cc3cccs3)nnc2SCCc2ccccc2)c1 1874413426 SWRHXJDMGPRHNB-JJIBRWJFSA-N 434.590 5.156 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2cccc(F)c2)nnc1-c1ccco1 1874466042 OGZIPWYAMOIYPP-MFKUBSTISA-N 434.496 5.417 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(SCCc2ccccc2)nnc1C1CC1 1874521513 WMRJUBVSCAQAMB-YZSQISJMSA-N 428.561 5.534 30 10 IKEE Cc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1cccc(Br)c1 1874533765 AGTHDOMCOPXINL-ZVBGSRNCSA-N 439.741 5.316 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)NC2CCCCC2)cc1 1874572737 CCAKZFFSOCLHOZ-WYMLVPIESA-N 425.956 5.626 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(F)cc2F)c1OCc1c(Cl)cccc1Cl 1874576548 SAHUODXRHOWSOV-DHZHZOJOSA-N 449.280 6.755 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c1OCc1cccc(Cl)c1 1874582843 JKVVXMBGGCYJDL-DTQAZKPQSA-N 434.963 7.121 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cc(Cl)ccc1OCc1ccccc1Cl 1874592662 VXRLAKYXWLKIAH-RMKNXTFCSA-N 447.745 7.131 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2cccc(OCc3cccc(Cl)c3)c2)cc1Cl 1874598922 MEAXKVHRLRPZOS-MDZDMXLPSA-N 443.326 6.486 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2cccc(OCC(=O)N[C@@H](C)c3ccccc3)c2)c1C 1874599529 QNVSSMBOAPNLKG-NSFRLNINSA-N 441.571 6.073 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(OC)c(OCc2ccccc2F)c(OC)c1 1874620241 PKFSXSXDKZXBOS-ZHACJKMWSA-N 436.479 5.635 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(OC)c1OCc1ccc(C)cc1 1874621170 NQVIMVQKASEBKM-CSKARUKUSA-N 432.472 5.216 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OCc1ccccc1 1874625912 CTOKDMYJEZFWPP-SDNWHVSQSA-N 430.544 6.476 30 10 IKEE C=CCOc1c(Br)cc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc1OC 1874638980 BQEIMJIBYMVNRZ-FNORWQNLSA-N 437.717 5.581 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)C34CC5CC(CC(C5)C3)C4)c2)c(OC)c1 1874714098 DJEDIMDQWWATQK-RMKNXTFCSA-N 446.543 5.722 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3ccc(OC)cc3)cc2)cc1 1875100098 NSMFFOOWDHXCDI-VXLYETTFSA-N 444.527 5.918 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3ccc(/C=C/C(=O)c4ccccc4Cl)cc3)c(C)c2c1 1875111249 ATHGTOYNIPGLGV-GXDHUFHOSA-N 429.903 6.553 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2cc(Cl)ccc2Cl)cc1 1875143783 QGUGEJGAEHBNEC-IZZDOVSWSA-N 441.310 6.426 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2Cl)c1 1875155633 MJQCHKBKXDRIOP-RIYZIHGNSA-N 448.946 6.977 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(C)c3C)cc2)c1 1875167354 AFBHWLRRZGDUHV-RVDMUPIBSA-N 430.500 5.826 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3Cl)cc2)c(C)c1C 1875168190 WQFPBRDMKBUHJC-GXDHUFHOSA-N 434.919 6.010 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)C(F)(F)F)c(Cl)c2)c1 1875172100 DWFBDSAHTNDVIK-VMPITWQZSA-N 442.817 5.501 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)CCc2ccccc2)cc1 1875181887 BMALPLIQPCWUJU-GXDHUFHOSA-N 434.919 6.091 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1ccccc1Cl 1875183427 ALSJGYJHCSVAJR-ZRDIBKRKSA-N 448.946 6.779 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)cc1OC 1875186759 BIYQMUMRGVYLNT-VQHVLOKHSA-N 437.319 6.002 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](Cc2ccc(Cl)cc2Br)NCC)C1 1892692410 XKYXSQYKGXLPSM-QGZVFWFLSA-N 443.813 5.237 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)C12CCC(NC(=O)OC(C)(C)C)(CC1)CC2 1922126321 STEBDDFANDGXOO-OIEGUCRUSA-N 428.617 5.355 30 10 IKEE CC(C)N(C(=O)OC(C)(C)C)[C@@H](C#N)c1scc(Br)c1Br 1930758774 OIELKNUMUGOTTC-JTQLQIEISA-N 438.185 5.483 30 10 IKEE CC(C)[C@H]1C[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)CN1Cc1ccccc1 1942592867 HGIGKVIIYAGFFE-RDGATRHJSA-N 439.625 5.678 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 1999940784 FDJOVVXTZNHZEQ-KOSHJBKYSA-N 435.609 5.486 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2000550141 YIDNIDXABIBCEO-SPMMERNZSA-N 427.545 5.014 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)CC12CCC2 2011893684 XDCMNIZNFRSLCS-FQEVSTJZSA-N 447.498 5.002 30 10 IKEE C=C1CC[C@H](O)C/C1=C/C=C1/CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@H](C)CC(F)(F)CC(C)(C)O 2037633230 QHPKSIWDAYRSIM-FKNOZMLASA-N 436.627 6.979 30 10 IKEE C=C1CC[C@H](O)C/C1=C/C=C1/CCC[C@]2(C)[C@@H]1CC[C@H]2[C@@H](C)CC(F)(F)CC(C)(C)O 2037633233 QHPKSIWDAYRSIM-UQMCTWIWSA-N 436.627 6.979 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)cn1 2050053491 KTLSKVTULUQZQH-GOSISDBHSA-N 442.491 5.574 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)[C@H]2CC[C@H]21 2057585620 MFJXEFILCOAWNU-NVTAWBTOSA-N 445.535 5.249 30 10 IKEE Cc1ccc([C@@H](C(C)C)n2nc(C(C)C)c(/C=N/O)c2I)c(C)c1 2079024102 YNNITFZBIQQOGL-VMHWHBCQSA-N 439.341 5.281 30 10 IKEE Cc1ccc([C@@H](n2nc(C(F)F)c(C#N)c2I)C(C)(C)C)c(C)c1 2079088149 XNMWCAQSCLQYTM-OAHLLOKOSA-N 443.279 5.549 30 10 IKEE CC(C)c1ccc([C@H](n2nc(C(C)C)c(C#N)c2I)C2(C)CC2)cc1 2079902001 BBIRIFPLAXCQLC-IBGZPJMESA-N 447.364 5.996 30 10 IKEE N#Cc1c(C2CCC2)nn([C@H](c2ccc(C(F)(F)F)cc2F)C2CC2)c1Br 2079926663 GBZKOJGDPJHDAB-KRWDZBQOSA-N 442.254 5.942 30 10 IKEE CC1(c2nn([C@@H](c3ccc(C4CCC4)cc3)C(C)(C)C)c(Br)c2C=NO)CC1 2079983397 BLXLZYNOXCKYIR-FQEVSTJZSA-N 444.417 6.408 30 10 IKEE CC1(c2nn([C@@H](c3ccc(C(F)(F)F)c(F)c3)C3CCC3)c(Cl)c2C=NO)CC1 2080004524 BMUWELBBRNUKGY-MRXNPFEDSA-N 429.845 5.944 30 10 IKEE CC(C)c1nc(Br)c(Br)n1CCCCCCCCCS 2143944168 NTNOEAKACHVEJM-UHFFFAOYSA-N 426.262 6.192 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CN(c2cc(Br)ccc2C#N)C2(CCCCC2)C1 2174809075 VUGGHLCBSOVKBK-QGZVFWFLSA-N 434.378 5.127 30 10 IKEE CO[C@]1(C)C[C@H]2C[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2185281779 GMXXBEKTNRBMBK-REABXYAWSA-N 435.362 5.288 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)[C@@H]1C[C@H]1C1CCOCC1 2200300917 YNUSDLDFJMFZHR-IPMKNSEASA-N 435.362 5.145 30 10 IKEE COc1cc(F)ccc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2204543936 UPKTVAIJZCUWJA-KRWDZBQOSA-N 435.293 5.603 30 10 IKEE C=CCCCCCCCCCSC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O 2207413072 IICNQNCKXZRZDM-OAQYLSRUSA-N 435.630 6.185 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)C1(C#N)CCC(NC(=O)OCc2ccccc2)CC1 2241909985 JMHXBABHSIIIPL-ZGIGLSJSSA-N 429.561 5.153 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)CC1 2259681912 QPSHNPWFZGTUOA-XMMPIXPASA-N 447.551 5.641 30 10 IKEE C=CCCC1([C@@H](NCC)c2cc(C)cc(Br)c2)CN(C(=O)OC(C)(C)C)C1 2281043645 WVITXWZMVXGFFK-IBGZPJMESA-N 437.422 5.611 30 10 IKEE CN[C@H](C#Cc1cccc(Br)c1)c1cccc(C)c1NC(=O)OC(C)(C)C 2296274613 VNNRZPINEXOPPM-LJQANCHMSA-N 429.358 5.417 30 10 IKEE CCOC1=CC(=C2C=CC(=O)C(OC)=C2)C=C(Nc2ccc(OC)cc2)c2c(C)oc(C)c21 2297467758 CXDGSFVZSHXCKH-UHFFFAOYSA-N 445.515 5.715 30 10 IKEE O=C1C(=Cc2ccc(N3CCCC3)o2)SC(=Nc2ccccc2)N1Cc1ccccc1 2313560612 ZSAKKLPUNVREFP-UHFFFAOYSA-N 429.545 5.684 30 10 IKEE C[C@H]1CCCC[C@H]1N1COc2ccc3c(c2C1)OC(=Cc1ccccc1OC(F)F)C3=O 2322146156 JPBYBADBXKZIGJ-HNAYVOBHSA-N 441.474 5.635 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCc2ccccc2C)cc1 2322552867 LCSNRZYMOHSADH-UHFFFAOYSA-N 436.935 6.531 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OCc3ccccc3Cl)c2)cc1C(C)C 2323232232 RJRMQPHSRDPUKV-UHFFFAOYSA-N 434.963 7.256 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OC(=O)Cc4cccc5ccccc45)c3C)C2=O)cc1 2323400761 VENLHFPICWIOAF-UHFFFAOYSA-N 448.518 6.475 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(OC)c2)ccc1OCc1cc(C)ccc1C 2323458864 KEGZMFMCXLUFPG-UHFFFAOYSA-N 446.543 6.194 30 10 IKEE Cc1c(OC(=O)c2cccc(Oc3ccccc3)c2)ccc2c1OC(=Cc1ccccn1)C2=O 2323561116 AGASNPHYBCECRJ-UHFFFAOYSA-N 449.462 6.018 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2OC)C3=O)cc1 2323823873 UYPYKOWGJLHIHK-UHFFFAOYSA-N 430.456 5.319 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(OC)c(OCCc3ccccc3)c(OC)c2)cc1 2323831288 QLLSGVWYLXRHRP-UHFFFAOYSA-N 432.516 5.620 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cc(OC)c(OCc3ccccc3)c(OC)c2)c1 2324016867 OTOSZWRXNNCGCB-UHFFFAOYSA-N 434.488 5.196 30 10 IKEE Cn1cc(C=C2Oc3c(ccc(O)c3CN3CCc4ccccc4C3)C2=O)c2ccccc21 2324115657 ILTDUDMFLHXTLW-UHFFFAOYSA-N 436.511 5.058 30 10 IKEE CCCOc1ccc(C=CC(=O)c2cc(Cl)c(OC)cc2OC)cc1Br 2324426056 CVBFJONQZXQKCI-UHFFFAOYSA-N 439.733 5.805 30 10 IKEE N#C[C@H](C(=O)C=Cc1cccc(Cl)c1)c1nc(-c2cc(Cl)ccc2Cl)cs1 2324834571 WOEMNQRGPSXPPX-MRXNPFEDSA-N 433.747 6.660 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(OCCC(=O)OCCC(C)C)c3C)C2=O)cc1 2325104060 WVEKZSKOGWHGHI-UHFFFAOYSA-N 438.520 5.368 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1ccccc1)C2=O 2325142143 OOVQXIWLOOKSTN-LJQANCHMSA-N 427.500 5.634 30 10 IKEE CCCCCOc1ccc(C=Nn2c(C)nnc2SCc2ccc(F)cc2)cc1OC 2325613979 FEFPQMDNZDJXJG-UHFFFAOYSA-N 442.560 5.478 30 10 IKEE COc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)CCc1ccccc1 2325675198 QOHYRYHLMCNRJW-UHFFFAOYSA-N 431.444 5.038 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4C(F)(F)F)ccc3C2=O)o1 2325706041 XFKJRLCCJYVRLS-UHFFFAOYSA-N 443.377 5.241 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2F)C3=O)c1 2325721845 QYLVHVWCVVHNEG-UHFFFAOYSA-N 431.463 5.385 30 10 IKEE COc1ccccc1C(=O)C=Cc1cccc(OC(=O)c2ccc(C(F)(F)F)cc2)c1 2325724533 QOZSSIIUHLHAJI-UHFFFAOYSA-N 426.390 5.829 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(C=CC(=O)c3ccc(F)cc3F)ccc2OC)c1 2325725474 HWXVOGBXPCZPGR-UHFFFAOYSA-N 438.426 5.487 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(-c4ccccc4)cc3)c2)c(C)c1 2325736188 IWLSWITZVWSMKQ-UHFFFAOYSA-N 432.519 7.086 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccccc3F)c2)cc1 2325738914 RMPOOCCXMWWVIE-UHFFFAOYSA-N 434.463 5.738 30 10 IKEE C=CCSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1ccc(C)cc1 2325961329 ISGLAJQLYHXIMW-UHFFFAOYSA-N 427.371 5.100 30 10 IKEE Cc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1ccccc1COc1ccccc1 2326660737 VGPMRINCWFGIRF-UHFFFAOYSA-N 439.544 5.212 30 10 IKEE C=CCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccccc1Cl 2327296604 BYASYJRCBVSUPA-UHFFFAOYSA-N 426.973 5.596 30 10 IKEE C=C(C)CSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1ccccc1[N+](=O)[O-] 2328155910 KZVHTKFCGMTFKJ-UHFFFAOYSA-N 441.601 6.201 30 10 IKEE C=CCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1ccc(Cl)c(Cl)c1 2328499604 DPHBBNZWMYLWRB-UHFFFAOYSA-N 448.335 5.244 30 10 IKEE CCCOc1cccc(C=Nn2c(COc3ccc(C)c(C)c3)nnc2SCCC)c1 2328799864 HFKAJMUIZVEBCM-UHFFFAOYSA-N 438.597 5.647 30 10 IKEE Cc1ccccc1CSc1nnc(COc2cccc(C)c2C)n1N=Cc1ccc[nH]1 2328822718 FPBWSHSJCFAREN-UHFFFAOYSA-N 431.565 5.285 30 10 IKEE Clc1ccc(CSc2nnc(COCc3ccccc3)n2N=Cc2ccccn2)cc1 2329360977 IVABHKLOHWEVCS-UHFFFAOYSA-N 449.967 5.218 30 10 IKEE Cc1ccccc1C=Nn1c(CCc2cccs2)nnc1SCCc1ccccc1 2329667664 FXWPEQMPZSGLFE-UHFFFAOYSA-N 432.618 5.650 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2)n1N=Cc1ccc(OCc2ccccc2)cc1 2330669616 ALZJLGYQTFIGGT-UHFFFAOYSA-N 440.572 6.075 30 10 IKEE COc1cccc(C=Nn2c(CC(C)(C)C)nnc2SCc2cc(C)ccc2C)c1O 2330849406 GGVWHGBUGJVDSL-UHFFFAOYSA-N 438.597 5.372 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc(Cl)c2)n1N=Cc1cccc([N+](=O)[O-])c1 2330873249 ANAMTMAXHLHKNH-UHFFFAOYSA-N 443.960 5.603 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1Br)c1ccco1 2330919541 OHIQTLJPAYMCLF-UHFFFAOYSA-N 431.669 5.811 30 10 IKEE Oc1ccc(Cl)cc1C=Nn1c(SCc2ccc(Cl)cc2)nnc1[C@@H]1CCCO1 2330990560 XUQOFOQETGEMJA-SFHVURJKSA-N 449.363 5.317 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1[N+](=O)[O-] 2331225121 DCSFHMLSRNHIEG-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2331377109 JERXJZFIBSQDCY-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE CCCOc1c(C=Nn2c(SCc3ccccc3)nnc2C(C)(C)C)cccc1OC 2331396435 YCKKVXYCHSQINJ-UHFFFAOYSA-N 438.597 5.548 30 10 IKEE CCOc1ccc(C=Nn2c(CC(C)C)nnc2SCc2ccc(C)cc2)cc1OC 2331421646 GONRKYYRAGOSSG-UHFFFAOYSA-N 438.597 5.367 30 10 IKEE O=C(O)c1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CCC2)cc1 2331541669 ZABZVDAMDHFOLK-UHFFFAOYSA-N 426.929 5.072 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)c(F)c3F)cc2)c1C 2331644419 BNPABLRUAVBKEX-UHFFFAOYSA-N 438.445 6.453 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2ccc(OC(=O)c3ccccc3F)cc2)cc1Cl 2331695759 NSTSWTZSPUHPDY-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)COc1ccccc1 2331780202 BSKRABPNGJZSKV-UHFFFAOYSA-N 430.500 5.501 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(Nc2ccc(Br)cc2)[C@H]1C(F)(F)F 2370262826 ZIYJUNSPJLOJJS-WMLDXEAASA-N 448.283 5.085 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)c2ccc(OCC(C)C)cc2)nc2c(C)cccc12 12240285 RJPUCWVCAOOJET-UHFFFAOYSA-N 439.519 5.196 30 10 IKEE CC(C)Oc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(C(C)(C)C)cc2)cc1 20884740 JZQSIDRYOJUUBD-OFNKIYASSA-N 431.576 5.776 30 10 IKEE C=CCn1c(SCC(=O)c2ccc(Oc3ccccc3)cc2)nnc1-c1ccoc1C 31613062 MBXRWBHQZQVALQ-UHFFFAOYSA-N 431.517 5.800 30 10 IKEE Cc1ccc(C)c(N/C(=N\C(=O)c2cccc(Cl)c2)NCCc2c[nH]c3ccccc23)c1 32943330 VMOLSDMUBZUTKX-UHFFFAOYSA-N 444.966 5.879 30 10 IKEE Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1/C=N/Nc1c2ccccc2nc2ccccc12 39557529 QOSIEFCMXMAUKZ-CVKSISIWSA-N 436.475 5.545 30 10 IKEE C=CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc(F)cc2)cc1 39824380 UNQGEEYHJUXICR-DEOSSOPVSA-N 441.458 5.242 30 10 IKEE C=CCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cccc(C)n2)c1 39838229 BEODDEXVXZYJIX-XMMPIXPASA-N 438.483 5.119 30 10 IKEE Cc1nc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(-c2ccccc2)n1 40171929 VBDGYSNHUJOREQ-CQSZACIVSA-N 434.590 5.383 30 10 IKEE C=CCc1ccccc1OCCn1c(CNC(=O)CCc2ccccc2)nc2ccccc21 40191998 NSXNPKCECRSLCT-UHFFFAOYSA-N 439.559 5.093 30 10 IKEE C=CCc1ccc(OCCn2c(COc3ccc(C)cc3)nc3ccccc32)c(OC)c1 40234782 JLQBXNXRWVDPDG-UHFFFAOYSA-N 428.532 5.740 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)c1 41292906 STFKWRMWVUVSQV-GATIEOLUSA-N 444.483 5.663 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O3)CN(Cc1ccccn1)CO2 41648305 ALSZPXOYEVRLQF-OYKKKHCWSA-N 440.543 5.656 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2O[C@H](C)CC)cc1 59530927 HUKXAHMBWTVVAI-JUXOCIIHSA-N 433.548 5.267 30 10 IKEE COc1cccc(/C=N/c2ccc3nc(SCCOc4ccccc4)sc3c2)c1O 59854916 GYBZTKQELWKJST-BUVRLJJBSA-N 436.558 5.932 30 10 IKEE CCOc1ccccc1N=C1SC[C@H](C)N1C(=O)CC(c1ccccc1)c1ccccc1 96585788 KUIFEZJFZVKLAD-FQEVSTJZSA-N 444.600 6.259 30 10 IKEE CCCCCCCc1ccc(-c2cc(C(=O)O)c3cc(C)cc(Br)c3n2)cc1 100950380 NHYLJWHDMOVAMH-UHFFFAOYSA-N 440.381 7.184 30 10 IKEE S=C1N(c2ccccc2Cl)/C(=N\C2CCCCC2)[C@@H](N2CCCC2)C12CCCCC2 101377306 MYJVFHLCZRGACJ-SZWCJKGDSA-N 444.088 6.634 30 10 IKEE C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1C/C(=C/c1ccc(Br)cc1)C2=O 118919563 CTGFFXZZHKKDLF-FRVLCHLFSA-N 441.453 7.444 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccc(C)c(C)c2)cc1 169924146 UMKXUNNTWGMDJE-VWLOTQADSA-N 441.527 5.712 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2cc(C)ccc2C)cc1 169924680 KOPYVRYROZCNHT-XMMPIXPASA-N 445.490 5.542 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@@H]2c2ccc(O)cc2)c1 169959220 WCJYWNZLPCJMSU-XMMPIXPASA-N 443.499 5.136 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(O)cc2)c(C)c1 169962948 UZCJZOVNZGREDE-DEOSSOPVSA-N 439.467 5.538 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2cccc(C)c2)cc1 169966873 XKJRWOXNLIQEED-DEOSSOPVSA-N 426.516 5.152 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2Cc2ccc(F)cc2)c1 169972396 LDKKXGPDYAKBFT-XMMPIXPASA-N 429.491 5.529 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(F)cc2)=C(N2CCc3ccccc3C2)C1=O 169986185 OACRCRFVNCFTLT-UHFFFAOYSA-N 434.555 5.324 30 10 IKEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccccn2)cc1 169991157 GCAXOBIAKXMDHV-VWLOTQADSA-N 449.510 5.084 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@H]2c2ccccn2)cc1 169992337 KXBOSFZRPFVYLE-QHCPKHFHSA-N 442.515 5.171 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1F 170072164 BNAMUNYOKVNLFO-DEOSSOPVSA-N 447.506 5.372 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(OCCC)cc2)=C(N2CCC[C@@H](C)C2)C1=O 170089240 QCDOPXDMHGRULA-OAQYLSRUSA-N 440.628 5.648 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1cccc(C)c1 170142878 CKGSYMZIPVCVQQ-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccs2)cc1C(C)C 170159041 XRZMASJWLPQENZ-QHCPKHFHSA-N 447.556 6.053 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccccn2)ccc1Cl 170171896 MCAFPSMSEWLOEQ-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@@H]1c1ccccc1 170225685 FZPJMSQPSIBCLO-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1ccc2c(c1)CCCO2 170235303 LVKNCYHHGAMLCV-HSZRJFAPSA-N 445.902 5.448 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cccc(O)c1)c1cccc2ccccc12 170261848 FSZLYTZDMIEKND-XMMPIXPASA-N 427.500 5.456 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccc2C)cc1 170273153 IBAXDPUWANIXPQ-RUZDIDTESA-N 441.527 5.875 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2Cc2ccc(F)cc2)o1 170311228 JXWFMOFSPIZTSL-DEOSSOPVSA-N 441.458 5.659 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 170380538 KUXIGRCWFISPTA-HXUWFJFHSA-N 439.298 5.480 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 170454930 UKEGGNBIMQTNSJ-HSZRJFAPSA-N 448.494 5.043 30 10 IKEE N#Cc1c(NC(=O)CCCC(=O)c2ccccc2)oc(-c2ccccc2)c1-c1ccccc1 170494085 YLICTUJINWNYLD-UHFFFAOYSA-N 434.495 6.477 30 10 IKEE Cc1ccc2oc(-c3ccc(C(=O)Nc4c(C#N)cnn4-c4ccccc4)cc3)cc(=O)c2c1 170578024 QRYXCDPSEQFESI-UHFFFAOYSA-N 446.466 5.078 30 10 IKEE CCc1ccc(N=C2S/C(=C/c3ccc(C(=O)O)cc3)C(=O)N2C2CCCCC2)cc1 252617772 LACFZZDKSVRHSI-SBECIKHMSA-N 434.561 5.884 30 10 IKEE C=C(CC[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)C(C)C 256333195 XHFAXVFEJWTPSR-NGZAGFFHSA-N 446.672 5.067 30 10 IKEE N#Cc1ccc(Br)cc1Nc1cc(I)ccc1Cl 310667905 FMTNBQJLEOQUBA-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE COc1ccc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1OC 526607645 ZUIVTFLLALBVFK-HSZRJFAPSA-N 446.890 5.286 30 10 IKEE CCCOc1c(Cl)cc(/C=N\n2cnnc2SCc2ccc(C)cc2)cc1OCC 526803766 MHLJREHBLYCCBD-MXAYSNPKSA-N 444.988 5.602 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccc(OC(C)C)cc1 526807155 KWAUJXRXGHUAFX-OYKKKHCWSA-N 428.989 5.846 30 10 IKEE CCCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1/N=C\c1ccccc1Cl 526830553 NHOWBXKMGLUCKR-QRVIBDJDSA-N 446.960 5.218 30 10 IKEE N#Cc1cccc(NC(=O)c2cccc(NC(=O)NC(c3ccccc3)c3ccccc3)c2)c1 586630899 YVRJLABISBHXKL-UHFFFAOYSA-N 446.510 5.722 30 10 IKEE CCCCCCC[C@H](NCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 693664119 UAJFTTIPYNYCQH-DEOSSOPVSA-N 445.692 5.885 30 10 IKEE C=C1CCC(C[C@H](NC)c2cc(Br)ccc2I)CC1 724618050 NZZIGKXCHOUALC-INIZCTEOSA-N 434.159 5.451 30 10 IKEE Cc1ccccc1/C(O)=C(/C(=S)Nc1ccc(C#N)c(Cl)c1)[n+]1cc(O)ccc1C 726570958 ONOYBCMVNSKPCV-UHFFFAOYSA-O 436.944 5.145 30 10 IKEE C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2ccc3c(c2)CCCC3)c1 762441925 WLQRDFQYQCCJCG-UHFFFAOYSA-O 436.560 5.029 30 10 IKEE CCC(C)=NNc1nc2cc(C)c(NC(=O)COc3ccc(C(C)C)cc3)c(C)c2s1 1081379600 IMXGGBBCUYOBKJ-UHFFFAOYSA-N 438.597 6.252 30 10 IKEE O=S(=O)(c1cc(N=Cc2ccc(Cl)cc2)ccc1N1CCCCC1)N1CCCCC1 1083892727 CSAYVZWGANELKI-UHFFFAOYSA-N 446.016 5.256 30 10 IKEE CCc1ccc(NC(=O)CSc2nc3ccc(N=Cc4ccccc4O)cc3s2)cc1 1084392744 LPPQCRNGGIZVHJ-UHFFFAOYSA-N 447.585 6.046 30 10 IKEE C[C@]12CC[C@H](O)CC1=CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](C(=O)/C=C/c3ccc(Cl)cc3)CC[C@H]12 1088690231 MCQDPLIJIWZQHR-WTOKXHNFSA-N 439.039 6.862 30 10 IKEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1507914360 IKSZOJOBZINJDT-QZTJIDSGSA-N 434.588 5.211 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(-c3ccccc3)o2)SC1=Nc1cccc2ccccc12 1772724974 GMDLQAYZBLCWAR-SBEYKLCGSA-N 436.536 6.890 30 10 IKEE O=C1/C(=C/c2c(Cl)cccc2Cl)SC(=Nc2cccnc2)N1C1CCCCC1 1772731463 NDJOFDKPBLMUEG-OSZNWEDFSA-N 432.376 6.325 30 10 IKEE C=CCN1C(=O)/C(=C(/C)c2cccc(N)c2)SC1=Nc1nc(-c2ccccc2)cs1 1772734043 CNXWCPNBYZJOSC-SUYASHRRSA-N 432.574 5.572 30 10 IKEE CN1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=Nc1nc(-c2ccccc2)cs1 1772740556 ZFCAHPJPNLEDFV-UTQUROFUSA-N 446.384 6.351 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)Nc2ccc(C)cc2)c(=O)cc1C(=O)O 1857890848 GKRREBXRHRYKIJ-UHFFFAOYSA-N 442.556 5.013 30 10 IKEE COCc1nc(C)c(C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)s1 1859743650 BBTOKDGQJFEFTR-UHFFFAOYSA-N 429.501 5.649 30 10 IKEE CCCCCCCCCCNC(=O)CNC(=O)Cc1cc(Cl)ccc1SCC 1861004803 XIKOQIVHJKWMFK-UHFFFAOYSA-N 427.054 5.368 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1Cl 1861019546 ZQOVUNLMKWXULH-XMMPIXPASA-N 443.031 5.938 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)c1ccc(OCCCCCC)cc1 1861523978 GGZFUMVTGNAMPK-VWLOTQADSA-N 446.676 6.411 30 10 IKEE O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 1861858056 ASWMCCVSRMHEMI-AWEZNQCLSA-N 448.382 5.714 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@@H]2c2ccc(Cl)cc2)cc1 1862391688 GSSCTVHUNFUTRI-JOCHJYFZSA-N 425.956 6.061 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccccc1Br 1862439972 QVAQYMXAWZSLDR-KPZWWZAWSA-N 448.744 5.479 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2ccccc2C)c1 1862489834 IPBGEHDUKWUPIG-HSZRJFAPSA-N 431.557 5.494 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(N(CC)CC)cc1 1862498181 BWNYCNFDQDKFLX-DVECYGJZSA-N 434.580 5.526 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccccc2C)ccc1F 1862507806 UOKWOYLNSJOZKN-HSZRJFAPSA-N 433.454 5.360 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2c(Cl)cccc2Cl)cc1 1862538464 HOOWYJSPVYFCNQ-RBZFPXEDSA-N 432.347 5.933 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(Cl)c(Cl)c2)c1 1862562427 FTXXVSUHWLUUQJ-HXUWFJFHSA-N 445.346 5.487 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CC)c1 1862585942 IOEBQGNLPMZAGI-IBGZPJMESA-N 434.319 5.380 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 1862624154 ZKBPAZOWMZLKQB-HXUWFJFHSA-N 443.465 5.744 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)c1 1862648905 MCVYMAMHRCPTJA-VFHOHQAYSA-N 439.555 6.305 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccc1C(=O)O 1862651188 MZIDLBVNNRHGNF-HSZRJFAPSA-N 443.499 5.162 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)cc1 1862664373 ZOGKRJKOQZDCHY-XYURVEJXSA-N 447.575 5.976 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862664818 RSUBQJITGAMNKL-RUZDIDTESA-N 431.576 6.454 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2C(=O)O)cc1 1862665025 WVTWCUVHSAMEGF-QFIPXVFZSA-N 433.504 5.029 30 10 IKEE CN(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862677986 IUYRMCNOKAUREA-HSZRJFAPSA-N 436.527 5.193 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2cccc(Cl)c2)cc1 1862689454 RBQWNHYEWSGSJJ-JOCHJYFZSA-N 439.939 5.650 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2cccc(OC)c2)c1 1862702842 NOQXSOVHIVLBMP-HSZRJFAPSA-N 435.520 5.005 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1F 1862739279 VMBBTIKSKDBKTA-HXUWFJFHSA-N 444.434 5.032 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862746412 FXERCRZHFMQLBA-QHCPKHFHSA-N 446.503 5.372 30 10 IKEE Cc1cccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3ccccc3C#N)C2=O)c1C 1862805528 YDHGQOMSYOMPGV-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE N#Cc1ccc(NC2=C(c3c[nH]c4ccccc34)C(=O)N(c3cccc(Cl)c3)C2=O)cc1 1863127151 ZEOBWKFAFQBUCS-UHFFFAOYSA-N 438.874 5.090 30 10 IKEE N#Cc1ccc(NC2=C(c3ccc(Cl)c(Cl)c3)C(=O)N(C3CCCCC3)C2=O)cc1 1863283610 BTCXFFILPPQUOL-UHFFFAOYSA-N 440.330 5.390 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(Cl)cc2)=C(c2ccc(OC)cc2)C1=O 1863323919 YDUHUYJUYVKBJK-UHFFFAOYSA-N 440.971 5.901 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)cc2F)=C(c2cc(C)ccc2C)C1=O 1863404204 XBOLDEARVBGFGW-UHFFFAOYSA-N 440.534 6.134 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(C(=O)OC)cc1C 1866029897 NTWGEPUMKBUPJA-UHFFFAOYSA-N 431.661 7.982 30 10 IKEE N#Cc1nnn(Cc2c(Cl)cccc2Cl)c1NC(=O)c1ccc(-c2ccccc2)cc1 1870105448 SPMPFPXDPDJFIC-UHFFFAOYSA-N 448.313 5.424 30 10 IKEE C#CCOc1cn(CCc2ccccc2)c(CSc2nc3ccccc3s2)cc1=O 1870299097 URKUQXIYNSOHNB-UHFFFAOYSA-N 432.570 5.005 30 10 IKEE CCCCCCCCn1cc(OCc2cccc(Cl)c2)c(=O)cc1CN(C)CCCC 1870409582 SPKZPUFQFBTOKH-UHFFFAOYSA-N 447.063 6.673 30 10 IKEE CCCCCCCOc1cn(CCOC)c(CNc2ccc(OC)c(Cl)c2)cc1=O 1870832219 SQGXUTDVVGKVGQ-UHFFFAOYSA-N 436.980 5.118 30 10 IKEE CCCCCCCOc1cn(Cc2ccco2)c(CNc2ccc(Cl)cc2C)cc1=O 1870837701 TXYHPLDBINSWKU-UHFFFAOYSA-N 442.987 6.413 30 10 IKEE CCCCCCCOc1cn(CCCCCC)c(CNc2ccc3c[nH]nc3c2)cc1=O 1870839800 ZYFLGIQYEATDNW-UHFFFAOYSA-N 438.616 6.266 30 10 IKEE C#CCOc1cn(CCCCCCCCCC)c(CNc2ccc3nc[nH]c3c2)cc1=O 1871006292 ZEBKWBSVJRBMFL-UHFFFAOYSA-N 434.584 5.489 30 10 IKEE C=CCn1cc(OCC(=O)Nc2cccc(C)c2)c(=O)cc1CNc1ccc(C(C)C)cc1 1871172526 REGAVCSGODNEEZ-UHFFFAOYSA-N 445.563 5.096 30 10 IKEE C=CCn1cc(OCCCCOc2ccc(C)cc2)c(=O)cc1CNc1cc(C)ccc1C 1871225984 FSWUWMLCPJTFOH-UHFFFAOYSA-N 446.591 5.810 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc4c3CN(C3CCCCCC3)CO4)C2=O)c1OC 1871347638 MKICDPOONSXNLB-UCQKPKSFSA-N 435.520 5.195 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccccc1)C3=O)CN(C[C@H](O)c1ccc(Cl)cc1)CO2 1871359055 GUSKMHQHHJJFMD-JABHWKASSA-N 447.918 5.150 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3C)C2=O)cc1 1871374870 HGXWASSXWJCMHM-QRVIBDJDSA-N 443.455 5.609 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc(C)c3C2=O)cc1 1871375108 SSENYRIESVDCNX-JJFYIABZSA-N 445.427 5.056 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc(OC(=O)c3cc4ccccc4oc3=O)c2C)C1=O 1871378890 FBVXBKOQGSUZSC-NDENLUEZSA-N 444.464 5.307 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OC(=O)CCOc4ccccc4)c3C)C2=O)cc1 1871384218 STNQWDJXXMWVES-ULJHMMPZSA-N 428.484 5.548 30 10 IKEE CCOc1ccccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(C)cc1)C2=O 1871417571 FGGBRUNXULUZCZ-OYKKKHCWSA-N 443.499 5.336 30 10 IKEE COc1ccc(CCOc2cc(C)c3c(c2)O/C(=C\c2ccc(OC)c(OC)c2)C3=O)cc1 1871448755 ZDQSSJCFUOFVDB-MYYYXRDXSA-N 446.499 5.259 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(CC)cc4)ccc3C2=O)cc1 1871454770 WXCFRTXQAVHXHF-MYYYXRDXSA-N 443.499 5.281 30 10 IKEE C=C(C)CN([C@H](CC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1871996074 QDQHEJPTPWJARO-HSZRJFAPSA-N 442.625 5.213 30 10 IKEE C=C(C)CN([C@H](CC)C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)S(=O)(=O)CCCC 1872327678 RXDQDBJKANOWDY-HSZRJFAPSA-N 436.662 5.659 30 10 IKEE C=CCN([C@H](CCC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872511086 GPSUKDAXQZUDID-HSZRJFAPSA-N 442.625 5.213 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(C)cc1C)[C@@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872548438 KNADSHLOUUFLGS-MHECFPHRSA-N 442.625 5.150 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(OC)cc3OC)n2)cc1 1872762122 DOLHWLAOFHGJIZ-NRFANRHFSA-N 434.561 5.589 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccc(C(C)(C)C)cc3)n2)cc1 1872764387 LRYMSWCEFRDMBJ-QFIPXVFZSA-N 448.588 6.152 30 10 IKEE CC(C)(C)c1ccc(-c2csc([C@@H](C#N)C(=O)/C=C\c3ccc4c(c3)OCCO4)n2)cc1 1872772808 HSQKYSTVDSQJMW-YMUVJOOCSA-N 444.556 5.768 30 10 IKEE N#C[C@@H](C(=O)c1ccc(Cl)c(Cl)c1)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872787811 ROCQBFHSYNDKKO-LBPRGKRZSA-N 442.154 6.914 30 10 IKEE N#C[C@@H](C(=O)COc1ccc(Cl)cc1Cl)c1nc(-c2ccc(Cl)s2)cs1 1872789864 XEKYQFUSLWPCJK-JTQLQIEISA-N 443.764 6.087 30 10 IKEE CCCCCCCCNC1=C(c2ccc(F)c(C)c2)C(=O)N(C2CCCCCC2)C1=O 1873152863 NROMDXHVZYWKJH-UHFFFAOYSA-N 428.592 5.887 30 10 IKEE CCCCCCCCN1C(=O)C(NC2CC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166528 BYVPIVLAUSKXBO-UHFFFAOYSA-N 433.596 5.287 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1cccc(F)c1 1874204096 JETMISQDDSIHPM-FOKLQQMPSA-N 439.343 5.687 30 10 IKEE CCc1ccc(OCCCc2nnc(SC)n2/N=C/c2c(F)cccc2Cl)cc1 1874223710 ZKFPOZHPLLUXQC-ZVHZXABRSA-N 432.952 5.249 30 10 IKEE CC(C)c1ccc(/C=N/n2c(CCc3ccc(Cl)cc3)nnc2SCCCO)cc1 1874284689 SXJBJRPBJOTQLS-PCLIKHOPSA-N 443.016 5.197 30 10 IKEE C=CCSc1nnc(COc2cccc(C)c2C)n1/N=C/c1ccc(N(CC)CC)cc1 1874325062 WVHNKXSTTMTVNG-YZSQISJMSA-N 449.624 5.480 30 10 IKEE C=CCSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1ccc(N(CC)CC)cc1 1874327580 APOUAZDSENLJAD-YZSQISJMSA-N 449.624 5.480 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(Cl)cc3)n2/N=C/c2ccc(O)cc2)c1 1874336952 QHRZUOILGBDIJR-CVKSISIWSA-N 448.979 5.711 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccc(C)cc3)n2/N=C/c2ccccc2O)cc1 1874348021 RLMJVWYFLPXFQA-WGOQTCKBSA-N 444.560 5.066 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2-c2ccccc2Cl)cc1 1874366268 RBBUZCNSBYHTEF-CVKSISIWSA-N 432.980 6.390 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)(C)C)n2/N=C/c2ccc(N(C)C)cc2)c1 1874438631 KVLLDUNYMBDLHD-WGOQTCKBSA-N 435.641 5.724 30 10 IKEE FC(F)(F)c1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1cccnc1 1874461774 FYSNLQWQEJMAEF-LIMNOBDPSA-N 432.258 5.173 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccco2)n1/N=C/c1ccc(Cl)cc1Cl 1874464458 KOJJMEUEOAJKAT-WYMPLXKRSA-N 443.359 6.328 30 10 IKEE CCOc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2ccc(F)cc2)cc1OC 1874487224 GOUJLIUKVQBOCE-AFUMVMLFSA-N 442.560 5.198 30 10 IKEE Fc1cccc(CSc2nnc(C3CCC3)n2/N=C/c2ccc(Br)cc2)c1 1874494469 NVHDOVJQYIHZSI-FSJBWODESA-N 445.361 5.622 30 10 IKEE Cc1ccccc1CSc1nnc(C2CCC2)n1/N=C/c1ccc(Cl)cc1Cl 1874494879 JKYJOMOHIHXWSR-WYMPLXKRSA-N 431.392 6.335 30 10 IKEE C=CCSc1nnc(C2CCC2)n1/N=C/c1cccc(OC)c1OCc1cccc(C)c1 1874496603 VOSFANGPGCVFJD-WGOQTCKBSA-N 448.592 5.602 30 10 IKEE COCc1nnc(SCc2ccccc2Cl)n1/N=C/c1c(F)cccc1Cl 1874502175 UAQQUXIDQKCFMT-LSFURLLWSA-N 425.316 5.045 30 10 IKEE Oc1ccc(Cl)cc1/C=N/n1c(SCc2c(F)cccc2Cl)nnc1C1CC1 1874522641 DLDJGTLNTMZQAF-NUGSKGIGSA-N 437.327 5.482 30 10 IKEE CCCSc1nnc(CC)n1/N=C/c1ccc(OCCCc2ccccc2)c(OC)c1 1874526273 VCJJBMLVICBKFM-XIEYBQDHSA-N 438.597 5.245 30 10 IKEE Cc1cccc(C)c1OCCCc1nnc(S)n1/N=C/c1c(Cl)cccc1Cl 1874568284 QBOSLBJPDRLDLV-FSJBWODESA-N 435.380 5.384 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2c(OCc3ccccc3F)ccc3ccccc23)cc1 1874574141 XCNPGXHWXRJGPG-VHEBQXMUSA-N 438.542 7.797 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(Cl)cc2)c1OCc1ccccc1Cl 1874577527 SEINRMDJGSKQAB-DHZHZOJOSA-N 447.745 7.131 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)NC2CCCCC2)c(C)c1 1874589917 JIHCXNSLECNDKB-PKNBQFBNSA-N 439.983 5.989 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1OCc1cc(C)ccc1C 1874606224 CSWQWJKANBBRDK-UXBLZVDNSA-N 441.354 7.094 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OCC(=O)Nc2cccc(C)c2C)cc1 1874638664 LWLXFQDFFVDOPV-UKTHLTGXSA-N 449.934 5.879 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCCOc3ccc(C)cc3)c2)cc1 1874697959 SYTLRQLFLDMNPG-LICLKQGHSA-N 430.500 5.664 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3ccc(C)c(C)c3)c2)c(C)c1C 1874711867 KKAITWBRGGZTND-JLHYYAGUSA-N 444.527 5.809 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2cccc(OC(=O)CCCSC)c2)cc1Cl 1874713931 VIAQDXFYAVTCTI-MDZDMXLPSA-N 434.941 5.302 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1Br 1875098789 PXKDAMGRGODFMX-JXMROGBWSA-N 447.325 5.458 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(Cl)c1OC(=O)C(F)(F)F 1875100875 LYCGHCQPYXUUGM-JXMROGBWSA-N 426.818 5.665 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1cccc(C)c1 1875116058 JAWQACSKKRAFNN-NTUHNPAUSA-N 431.444 5.417 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2)cc1 1875131098 HYHVNLOJAWWPFC-GZTJUZNOSA-N 428.528 6.273 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)Cc1ccccc1 1875137975 LLCZURNUXNNRCK-OUKQBFOZSA-N 430.500 5.365 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)c(C)c3)cc2)c1 1875145126 APJVTXFLLBUCRY-UKTHLTGXSA-N 430.500 5.365 30 10 IKEE Cc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2Cl)c1 1875148478 OPYYGJBLOIEKNS-RIYZIHGNSA-N 432.947 7.061 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc(OC)c1OC(=O)CCCC 1875171350 RXRLVBNVSTXGAO-OUKQBFOZSA-N 436.548 6.041 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N(CCCC)CCCC)n2C 1875196855 DYNWFIVWYBXHMG-UHFFFAOYSA-N 443.680 6.563 30 10 IKEE CC1(C)OB([C@]23C[C@H]2CCN(C(=O)OCC2c4ccccc4-c4ccccc42)C3)OC1(C)C 1877238860 QYIKOPJIOZRGTF-CLYVBNDRSA-N 445.368 5.494 30 10 IKEE N#CCC1CCN(C(=O)c2cc(-c3ccccc3)nc3ccc(Br)cc23)CC1 1891252696 CGRIZDGSOPGWSC-UHFFFAOYSA-N 434.337 5.430 30 10 IKEE C=CCC1([C@@H](NCC)c2ccc(Cl)cc2Br)CN(C(=O)OC(C)(C)C)C1 1898790404 XFODKHRRCLDUIN-KRWDZBQOSA-N 443.813 5.566 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C12CC2 2016356736 MHFVLKOTQVDIRH-XMMPIXPASA-N 433.593 5.382 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc([C@](C)(C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)c1 2027939041 HBFULPYOENECRU-VWLOTQADSA-N 443.588 6.342 30 10 IKEE CCOC(=O)C=Cc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 2040487923 IBLLKPFHCXXIBT-UHFFFAOYSA-N 428.513 5.538 30 10 IKEE Cc1ccc([C@@H](C(C)C)n2nc(C3CCC3)c(C#N)c2I)cc1C 2079127142 KBOUVHGOOIKVLB-LJQANCHMSA-N 433.337 5.489 30 10 IKEE CC1(C)OB(C=C2CCN(Cc3cc(Cl)ccc3Br)CC2)OC1(C)C 2107459451 VCJQNHHDLXRBAM-UHFFFAOYSA-N 426.591 5.256 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](Nc2cc(Br)c(C#N)cc2F)CC1 2133530287 RZZGAQAOCFHYIH-KGLIPLIRSA-N 426.330 5.098 30 10 IKEE C#Cc1cccc(CNCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)c1 2134727365 GKAXVSCEQUYEKE-UHFFFAOYSA-N 433.551 6.116 30 10 IKEE CN1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Br)c2)CC12CCCC2 2156880288 RCIOBJGMNMABBF-OAQYLSRUSA-N 434.378 5.101 30 10 IKEE CO[C@H]1CC(C)(C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2162035656 BWSBEBJJYVDFOF-LAUBAEHRSA-N 437.378 5.678 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(F)c(Nc2cc(Br)c(C#N)cc2F)c1F 2162314796 MGOWXALGZMPNRI-UHFFFAOYSA-N 442.235 5.829 30 10 IKEE CC(C)(C)OC(=O)NCCc1ccc(CNc2ccc(C#N)c(Br)c2)cc1 2162417909 KKPGXOLNFNDKJR-UHFFFAOYSA-N 430.346 5.000 30 10 IKEE CCN(c1ccc(C#N)cc1Br)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2174814461 IGSFGZCKIAQBGH-SJPCQFCGSA-N 434.378 5.078 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)cc(OC)c1 2201000065 PYDCHJFXJOHORI-RTBURBONSA-N 441.410 5.358 30 10 IKEE C=CCC1([C@@H](NCC)c2cc(C)c(Br)cc2C)CN(C(=O)OC(C)(C)C)C1 2201077163 HGZGSMDZGSSPAV-IBGZPJMESA-N 437.422 5.530 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)cc1Cl 2222752690 WIOTYCGPFMNRAK-SJORKVTESA-N 431.802 5.613 30 10 IKEE C=C([C@H](NC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)C(C)(C)C 2229133441 JQGJZKJWGCTCOB-MSOLQXFVSA-N 425.411 5.075 30 10 IKEE CC(C)(C)CN(CCC#N)C(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21 2243911565 TXPWLYHIDDHCHW-UHFFFAOYSA-N 447.579 5.094 30 10 IKEE CCCN[C@H](CC#CC1CCCC1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2251488389 DVXBGGCSZHFDPC-RUZDIDTESA-N 426.645 6.156 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CN[C@H]2CCCC[C@H]2C1 2279698571 VRFVSUYREFNEHX-UQASEVPWSA-N 434.378 5.005 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1 2282700808 SQFPRLWFBZKAEG-UHFFFAOYSA-N 443.352 5.126 30 10 IKEE CN1C(=C2SC(=Nc3ccc(O)cc3)N(C3CCCCC3)C2=O)Sc2ccccc21 2295201986 XNSRHWITDVOZAE-UHFFFAOYSA-N 437.590 5.699 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CC[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2313030553 KBGQXZSQAGWLRP-JMQJIOGXSA-N 447.620 5.532 30 10 IKEE CCOc1cc(C=C2SC(=Nc3ccccc3)NC2=O)ccc1OCc1ccc(F)cc1 2313507368 IARVIZJAOAONQB-UHFFFAOYSA-N 448.519 5.695 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccc(-c2ccccc2)cc1 2314430195 YOYVQEZMQNPRND-UHFFFAOYSA-N 449.462 6.377 30 10 IKEE Cc1cccc(O)c1N=C1NC(=O)C(=Cc2ccc(-c3c(Cl)cccc3Cl)o2)S1 2314556908 BMQWIAZRNPYDGN-UHFFFAOYSA-N 445.327 6.159 30 10 IKEE C=CCc1ccc(OCCCCn2c(C=Cc3ccco3)nc3ccccc32)c(OC)c1 2314899115 QTZDVIOLWRACLD-UHFFFAOYSA-N 428.532 6.396 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1N=Cc1cc(OC)ccc1OC 2318571440 KQEGDUWAXOHAFL-UHFFFAOYSA-N 444.988 5.466 30 10 IKEE COc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCC2=CCCCC2)C4)cc1 2322107187 ZUUBIDAEAKCYPW-UHFFFAOYSA-N 431.532 5.662 30 10 IKEE COc1ccc([C@@H](C)N2COc3cc(C)c4c(c3C2)OC(=Cc2ccc(C)cc2)C4=O)cc1 2322244635 HLIQNHAJBBNYTC-LJQANCHMSA-N 441.527 5.841 30 10 IKEE O=C(C=Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccc2ccccc2c1 2322318128 MXPSOIBBMNBGEL-UHFFFAOYSA-N 448.949 8.122 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1cccc(Cl)c1)C3=O)CN(CCc1cccs1)CO2 2322416620 ISGSVTOZLKCZGP-UHFFFAOYSA-N 437.948 5.721 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccccc2OCc2ccc(Cl)cc2Cl)cc1 2322681063 GVTWITGHZGMBCO-UHFFFAOYSA-N 439.382 7.766 30 10 IKEE CCCNC(=O)COc1ccc(Cl)cc1C=CC(=O)c1cc(C(C)(C)C)ccc1OC 2322775380 UYJLJIPBHJCDHP-UHFFFAOYSA-N 443.971 5.447 30 10 IKEE Cc1cc(OC(=O)c2ccc(F)cc2)cc2c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O2 2322781832 CGYCWBISIXWTAJ-UHFFFAOYSA-N 430.475 6.267 30 10 IKEE Cc1c(OC(=O)c2cc3ccccc3o2)ccc2c1OC(=Cc1c(F)cccc1Cl)C2=O 2322842801 YCUBGCYYPHSVPS-UHFFFAOYSA-N 448.833 6.369 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1cccc(OCC(=O)NCc2ccccc2)c1 2323300092 XTLHUMOBWQKHHL-UHFFFAOYSA-N 449.934 5.248 30 10 IKEE COc1cc(C=NNc2nc3ccccc3[nH]2)cc([N+](=O)[O-])c1OCc1cc(C)ccc1C 2323306683 RSTRPWVQKDOZGY-UHFFFAOYSA-N 445.479 5.122 30 10 IKEE Cc1cc(OC(=O)C=Cc2cccc([N+](=O)[O-])c2)cc2c1C(=O)C(=Cc1cccc(F)c1)O2 2323435513 GCUACMKXRWIVFB-UHFFFAOYSA-N 445.402 5.277 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)c1 2324014876 MSCFQCJFSZTGEZ-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OCCO)c(OCC)c2)cc1 2324210106 DFRLSAWPLICUDO-UHFFFAOYSA-N 426.553 5.702 30 10 IKEE CCOc1c(Br)cc(C=CC(=O)c2ccc(C)c(C)c2)cc1Br 2324441868 RFCGKDKEHAATNC-UHFFFAOYSA-N 438.159 6.123 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2)C3=O)cc1 2324451580 ARDFUADLANXALS-KRWDZBQOSA-N 429.472 5.026 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3c(C)cc(C)cc3C)cc2)c(C)c1 2324545495 SABBEIVPZQVTCS-UHFFFAOYSA-N 427.544 6.142 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OCc1ccccc1F 2324547661 NEOLFUARFAIHIB-UHFFFAOYSA-N 434.507 6.243 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc(OCCCCOc3ccccc3)c2C)C1=O 2324584884 KKIYPEROUZPIOW-UHFFFAOYSA-N 444.527 6.248 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OCCCCOc3ccccc3C)cc(C)c2C1=O 2324599206 QIXBNSLDWURRRJ-UHFFFAOYSA-N 428.528 6.466 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2C)C3=O)c(C)c1 2324893262 YMJHKTWWQWDMTF-UHFFFAOYSA-N 427.500 5.554 30 10 IKEE CCCOC(=O)[C@H](CC)Oc1ccc2c(c1)OC(=Cc1c(Cl)cccc1Cl)C2=O 2325079277 SKOTVHLILTYLNZ-SFHVURJKSA-N 435.303 5.720 30 10 IKEE Clc1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccco2)c(Cl)c1 2325502712 OBSFBNKZJKORKA-UHFFFAOYSA-N 443.359 5.943 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4cccc(OC)c4)cc(C)c3C2=O)cc1 2325578351 AQRGONYAGUZRGD-UHFFFAOYSA-N 443.499 5.200 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1cccc(Cl)c1)C2=O 2325714713 YEWDFFUSSINKJI-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE COc1ccccc1C(=O)Oc1cccc(C=CC(=O)c2cccc(Br)c2)c1 2325720773 CSPRHLNTXKCGQW-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1OC(=O)Cc1ccc(F)cc1F 2325724867 OXVHECZUJJKXRV-UHFFFAOYSA-N 444.380 5.296 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(F)cc4)ccc3C2=O)cc1 2325727769 IUWLKVASGZKFTJ-UHFFFAOYSA-N 445.490 5.757 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2)cc1OC(=O)c1ccc(Cl)c(Cl)c1 2325731038 OJWALPHBLFDQPN-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE CCCc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc(F)c(C)c3)c2)cc1 2325741949 JSKHINFKYZXMNT-UHFFFAOYSA-N 432.491 5.967 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1OC(=O)c1ccc(Cl)cc1 2325746747 WRLHRKVUWMCSEV-UHFFFAOYSA-N 436.847 5.193 30 10 IKEE COc1cccc(C(=O)Oc2cc(C=CC(=O)c3cccc4ccccc34)ccc2OC)c1 2325749023 GDEXWAJATRISSN-UHFFFAOYSA-N 438.479 5.972 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C=CC(=O)c3ccc(C(C)C)cc3)ccc2OC)cc1 2325750298 MNIGOJUOSDNENC-UHFFFAOYSA-N 444.527 6.333 30 10 IKEE CCSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1ccc(C(C)C)cc1 2326320720 DOJHYRHJVVLNSE-UHFFFAOYSA-N 436.625 5.970 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1ccc(C(F)(F)F)cc1 2326446206 ZUUPGBYGENUGNI-UHFFFAOYSA-N 432.515 6.041 30 10 IKEE CCCCOc1cccc(C=Nn2c(CCCC)nnc2SCc2ccc(C#N)cc2)c1 2326681564 AUKXMWWNVPMIHW-UHFFFAOYSA-N 447.608 5.846 30 10 IKEE CCCSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1ccc(N(C)C)cc1 2327210808 FUSWNATXORCWHW-UHFFFAOYSA-N 437.613 5.048 30 10 IKEE C=CCSc1nnc(COc2c(C)cccc2C)n1N=Cc1ccccc1OCCC 2328559366 BPYZLCMOPDYWCM-UHFFFAOYSA-N 436.581 5.423 30 10 IKEE CC(C)c1ccc(C=CC(=O)NCc2ccc(OC(=O)Nc3cccc(C#N)c3)cc2)cc1 2329313457 MQGPOUIMDMUPPW-UHFFFAOYSA-N 439.515 5.622 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3C)n2N=Cc2ccccc2C)c1 2329477637 IRRGPRTVDRQPCE-UHFFFAOYSA-N 440.616 6.163 30 10 IKEE CCSc1nnc(Cc2ccc(C)cc2)n1N=Cc1cccc(OCc2ccccc2)c1 2329969496 OKGPVHRFIMGIEL-UHFFFAOYSA-N 442.588 5.751 30 10 IKEE CCCCCOc1ccc(C=Nn2c(Cc3cccs3)nnc2SCCC)cc1 2330418766 CGXDIEHODJSCAH-UHFFFAOYSA-N 428.627 5.884 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(OC)c1OC(=O)c1ccccn1 2330674773 BBOUENCOULSFEJ-UHFFFAOYSA-N 449.506 6.087 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc(Cl)ccc3OC)cc2)cc1 2330824552 LAAPVCZQRFHYLX-UHFFFAOYSA-N 448.946 6.807 30 10 IKEE CC(C)(C)Cc1nnc(SCCc2ccccc2)n1N=Cc1cccc2ccccc12 2330852141 RJMQNHNDGKUMLR-UHFFFAOYSA-N 428.605 6.237 30 10 IKEE Cc1cccc(CSc2nnc([C@H]3CCCO3)n2N=Cc2ccc(C(F)(F)F)cc2)c1 2330933970 HBBKAXGQSIGESI-LJQANCHMSA-N 446.498 5.631 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCc3cccc4ccccc34)nnc2[C@H]2CCCO2)c1 2330979646 MUNRRGOMJBSZMK-HSZRJFAPSA-N 444.560 5.471 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)c1ccc(C)cc1 2331115649 DUEAIOCXKUTFEC-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE COc1cc(C=Nn2c(SCc3cccc(Cl)c3)nnc2-c2ccco2)ccc1O 2331225499 CHQRNDSFXJCKSE-UHFFFAOYSA-N 440.912 5.080 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1N=Cc1ccc(CC)cc1 2331318600 FZDFYPXHGBETPB-UHFFFAOYSA-N 449.624 5.413 30 10 IKEE C=CCSc1nnc(CCCC)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2331342984 KWGMSTPERHMEAW-UHFFFAOYSA-N 441.000 6.013 30 10 IKEE Cc1ccc(CSc2nnc(CC(C)C)n2N=Cc2c(Cl)cccc2Cl)cc1 2331425125 UMINNYXFXRYCMH-UHFFFAOYSA-N 433.408 6.266 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccccc1OC(C)C 2331468546 XELYHBJAAPFJPP-UHFFFAOYSA-N 443.016 6.092 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc(C=CC(=O)c3cccc4ccccc34)cc2)c1 2331469911 KOZNSCAKTWGZEV-UHFFFAOYSA-N 438.479 5.972 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1[N+](=O)[O-])c1ccccc1F 2331474311 WXBDJADSSPWTQA-UHFFFAOYSA-N 441.414 6.002 30 10 IKEE CCC(=O)Oc1c(Br)cc(C=CC(=O)c2cccc3ccccc23)cc1OC 2331478715 ZAOPWSYTXIJLBQ-UHFFFAOYSA-N 439.305 5.822 30 10 IKEE C=CCc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OC(=O)c1ccco1 2331654020 ZVPGPOMCVWHGDV-UHFFFAOYSA-N 444.527 6.366 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2C(C)C)cc1 2331701486 GXAWIMRLCMACSY-UHFFFAOYSA-N 436.625 6.372 30 10 IKEE CCN[C@@H](C#CC1(OC)CCC1)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2362769315 XACXIXIFNKDDGU-KRWDZBQOSA-N 437.378 5.019 30 10 IKEE C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](OC(=O)c1ccccc1)c1ccnc2ccc(OC)cc12 4016704 UOXLNYIYPISSFF-KBCVXPAYSA-N 428.532 5.038 30 10 IKEE Cc1ccc(/C(=N/S(=O)(=O)c2ccc(Br)cc2)Nc2ccccc2)cc1 8816648 XIPJKPDLRXUCRP-UHFFFAOYSA-N 429.339 5.005 30 10 IKEE COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(-c4ccc(Cl)cc4)c32)cc1 9152919 LWOYRPHWLYYKAS-HXUWFJFHSA-N 433.939 5.939 30 10 IKEE CCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)c(Cl)c1 9861340 YWXRZJRAAOSIAX-HSZRJFAPSA-N 429.347 6.300 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(OC)c(Cl)c2)cc1 21219351 HLIYUXAPWSGPLX-PKOBYXMFSA-N 439.939 5.142 30 10 IKEE COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc([N+](=O)[O-])cc2)c1 21221382 MLAILDOJURAKKT-WXTAPIANSA-N 441.487 5.583 30 10 IKEE CC(C)COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cc(F)ccc2F)cc1 21226553 KHLNXTOQWWVGER-JXFKEZNVSA-N 425.475 5.004 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(OC(C)C)cc2)cc1 21248365 KUNYVNKMFUWINA-NZQKXSOJSA-N 433.548 5.267 30 10 IKEE O=C(/C=C\c1ccccc1)Oc1cccc(/C=C\C(=O)c2ccc(-c3ccccc3)cc2)c1 34954132 FDBCHIAXIKDIOM-SIBCGJTDSA-N 430.503 6.869 30 10 IKEE C=CCC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C1CC1 36302130 HIOIBCFXHYOZNX-QHCPKHFHSA-N 447.579 5.273 30 10 IKEE CCOc1ccc(/C=C2\S/C(=N/c3nccs3)N(C3CCCCC3)C2=O)cc1OC 39865057 RAGKHIJFUYQSCV-TWBIDLLHSA-N 443.594 5.487 30 10 IKEE Cc1ccc(S(=O)(=O)Nc2cc(Cl)c([C@@H](C#N)c3ccc(Cl)cc3)cc2C)cc1 59239689 TWZDBBGJPMCUEA-FQEVSTJZSA-N 445.371 6.067 30 10 IKEE C(=N/c1cc2c3c(c1)[C@H](c1ccccc1)CCN3CC[C@H]2c1ccccc1)\c1cccnc1 59506198 OBHRBTYPODQXGF-SKWFZLDSSA-N 429.567 6.710 30 10 IKEE Cc1ccc2nc3c(cc2c1)CN(Cc1cccs1)/C(=N/CCc1ccccc1)S3 101495318 RTMSJDWWPKHAOO-QPLCGJKRSA-N 429.614 6.311 30 10 IKEE Cc1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccc(Cl)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 102609748 CKNKAYBXZNYPSZ-AGGMBTAESA-N 448.862 5.183 30 10 IKEE CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)[C@H]2c2cccc(Cl)c2)cc1 103090585 DZUPHVCNUFEGNO-VFJWVMJUSA-N 448.906 5.150 30 10 IKEE CCOc1cc(/C=N/NC(=S)Nc2ccccc2)ccc1OCc1cc(C)ccc1C 169884486 IBWBQYAPRDOAOC-WGOQTCKBSA-N 433.577 5.602 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/NS(=O)(=O)c2ccccc2)c(Cl)c1 169886900 RISBMPBGLWEENC-HKOYGPOVSA-N 437.005 5.782 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@H](c2cccc(OCc3ccc(F)cc3)c2)NC(=S)N1C 169935426 KQVOMSAJQZHRIB-DEOSSOPVSA-N 446.547 5.423 30 10 IKEE CC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 169936878 JTCZBXVCVKOWKA-FQEVSTJZSA-N 435.376 5.296 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccccc2OC)cc1 169942211 FZOJIGYLQSGAAE-HSZRJFAPSA-N 447.918 5.694 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(Cl)ccc2O)[C@H]1c1cccs1)c1ccc(Cl)cc1 169987411 ZUROHFUBHMLQAJ-SFHVURJKSA-N 446.311 5.543 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@H]2c2cccs2)cc1C 169989829 IVZHCALAHKOFAX-FQEVSTJZSA-N 429.501 5.024 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@@H]2c2ccccn2)cc1C 169996969 QXRBSMQLIKUXMF-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1ccccc1OC 170125082 MDBQGDBJMJJFNA-NRFANRHFSA-N 439.895 5.473 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccc(O)cc2)ccc1Cl 170133307 YJUFIFNKHPTPJO-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2C2CCCC2)c1 170148660 YIIFQZFILZNASZ-XMMPIXPASA-N 431.576 6.122 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccccc2)c1 170223756 UMOZQNFZIXSOIB-SANMLTNESA-N 433.507 6.240 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccccc2)c1 170223881 AVQGVNJWAOUUAG-IQGLISFBSA-N 439.511 5.410 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1ccccc1 170227370 HYOMEFUTOHAXAL-DEOSSOPVSA-N 443.499 5.265 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(Cl)cc2)cc1 170237065 GTDJTBUTEVSOCQ-QFIPXVFZSA-N 439.939 5.650 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(F)cc2)c1 170239028 PSZZMPQOMUEJGP-FYSMJZIKSA-N 443.474 5.240 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccco2)cc1C 170285138 BTXUKBUZDQSCKA-HSZRJFAPSA-N 431.488 5.305 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2c2cccc(Cl)c2)o1 170303438 ANYVZFCPOOVLRL-QHCPKHFHSA-N 447.918 5.903 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1c(C)[nH]c2ccccc12 170312293 OPXGBBCZVUDNFS-HSZRJFAPSA-N 432.520 5.252 30 10 IKEE CCCOC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccccc2)c1 170372941 UJCFDRXBXSZEPG-OAQYLSRUSA-N 447.512 5.098 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)cc1 170422021 KYTNKSBJFLHXBO-QHCPKHFHSA-N 449.909 5.609 30 10 IKEE COc1ccc(O[C@@H](C)C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1 170494079 JUCFONVOJODARK-SFHVURJKSA-N 438.483 5.900 30 10 IKEE CCCCCCCCCC(=O)c1cc(I)ccc1Br 232910475 MPOXUHOKJNVJAW-UHFFFAOYSA-N 437.159 6.377 30 10 IKEE Cc1ccc(N=C2S/C(=C\c3ccc(C(C)C)cc3)C(=O)N2c2ccc(C)cc2)cc1 252638029 XYYLBIODGXJWHQ-NARSBJQYSA-N 426.585 7.235 30 10 IKEE COc1cc(C=NNc2nc(-c3ccccc3)c(C)s2)ccc1OCc1ccccc1 254483478 IDPKXTSIWGQAMZ-UHFFFAOYSA-N 429.545 6.152 30 10 IKEE CCCN1C(=O)/C(=C\c2ccc(OCC)cc2OCC)SC1=Nc1ccc(OC)cc1 254832659 GCOMRJCXIGJCTA-LAJNNLEESA-N 440.565 5.507 30 10 IKEE CCC(C)(C)[C@@H]1CCc2sc3ncnc(NN=Cc4c(C)[nH]c5ccccc45)c3c2C1 254867775 HFPUONVHCJBZDV-MRXNPFEDSA-N 431.609 6.468 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)ccc1Br)NCC 407599235 POTJSGFVEKKZGH-DLBZAZTESA-N 431.802 5.093 30 10 IKEE CC(C)COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(F)cc2)cc1 526517710 TTYXESNMCOUVRZ-RUZDIDTESA-N 442.490 5.789 30 10 IKEE CCOc1ccc(/C=N\n2c(C)nnc2SCc2cccc3ccccc23)c(OCC)c1 526821204 GREIRAWCPORHTR-QQXSKIMKSA-N 446.576 5.712 30 10 IKEE Cc1ccsc1/C=N\n1c(CCc2ccccc2)nnc1SCc1ccc(C#N)cc1 526823255 UMAALCNXWWRVLJ-QQXSKIMKSA-N 443.601 5.479 30 10 IKEE N#Cc1ccc(CN(c2ccc(Oc3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1 586193349 NRCNMYNDTGGYRA-UHFFFAOYSA-N 440.524 5.746 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@](C)(C#N)c1cc(Cl)cc(Cl)c1F 692303731 ZYJLVXDKYCYBQB-IBGZPJMESA-N 429.344 6.370 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@]1(C#N)CCc2cc(Br)ccc2C1 698370459 LMZUMADHEIQMNO-JOCHJYFZSA-N 433.390 5.770 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCCC12CCCCC2 698391832 ODGPHPFBFKUPFL-QFIPXVFZSA-N 433.390 6.587 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)COc2ccccc2C1 698482590 PLWCBCAOHGNTEF-OAQYLSRUSA-N 429.314 5.088 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCc2cc(F)ccc21 710800603 MOQTVAJMBPHZNF-NRFANRHFSA-N 431.305 5.695 30 10 IKEE O=C(Nc1cccc(F)c1)[C@@H]1CC(=O)N(CCc2ccccc2)C(=Nc2ccccc2)S1 1084430698 AAUOTXVLTPDWGG-QFIPXVFZSA-N 447.535 5.029 30 10 IKEE COc1ccc(C=Nc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)c2ccccc12 1084643265 DYDRIWRGILIYQR-UHFFFAOYSA-N 442.540 5.350 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=Nc1ccccn1 1772732090 SZGGSKNLGZDPKZ-QGNOBFDASA-N 449.963 5.938 30 10 IKEE C=CCN1C(=O)/C(=C(/C)c2ccc(O)cc2)SC1=Nc1nc(-c2ccccc2)cs1 1772737370 MLXKKBPYBXWEQA-HYNSQCECSA-N 433.558 5.696 30 10 IKEE Cc1ccccc1C=NN=C1S/C(=C/C=C/c2ccccc2)C(=O)N1Cc1ccco1 1772756822 DPYAJECKBJBKRU-BPWWAYLDSA-N 427.529 5.651 30 10 IKEE Clc1ccc(CON=C(CN2CCN(Cc3ccccc3)CC2)c2ccccc2)cc1 1848352802 LQRDOURQCAQITO-UHFFFAOYSA-N 433.983 5.079 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccc2OCc2ccc(C(C)C)cc2)c1 1858734793 NKXUBFVETMBGLX-UHFFFAOYSA-N 443.591 6.874 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccc2O[C@@H](C)C(=O)c2ccccc2)c1 1858751924 PKEUKRHUEUARDG-IBGZPJMESA-N 443.547 5.822 30 10 IKEE N#Cc1cccc(C(=O)Oc2cccc3c(NC(=O)c4cc(F)ccc4F)cccc23)c1 1858930715 YFTRKJJLSMMGCS-UHFFFAOYSA-N 428.394 5.461 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)Cc1cc(OC)ccc1Cl 1860978938 OIYWJYQPHIDSDT-JOCHJYFZSA-N 439.040 5.433 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(OC)cc1 1862385653 UWVYXKJHWNLJBN-HXPMCKFVSA-N 434.319 5.379 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@H]1c1ccc(O)cc1)c1ccccc1Cl 1862430525 MFCRIBVDIXDBHU-QFIPXVFZSA-N 437.923 5.514 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C34CC5CC(CC(C5)C3)C4)[C@H]2c2ccccc2F)cc1 1862473894 IDCRVQVUNHRXRD-GETQMSEISA-N 445.534 5.681 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2cccc(F)c2)cc1 1862474664 RJKWVTKRSBHGKM-DEOSSOPVSA-N 429.491 5.529 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862477164 ITIBMXDHRCBTHT-QHCPKHFHSA-N 442.540 5.359 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2Br)cc1 1862487436 ATSYNLKZAFSTRP-FQEVSTJZSA-N 440.337 5.278 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc2cc[nH]c2c1 1862491456 UJMOXBAYRIWCBT-DEOSSOPVSA-N 430.548 5.943 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2ccc(O)cc2)cc1 1862534465 UHLGHQMZHDVTPZ-XMMPIXPASA-N 427.500 5.042 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C2CCCCCC2)c1 1862564217 VFSOVXVSKZGBPG-XMMPIXPASA-N 448.563 5.359 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1ccccc1F 1862570894 FGPCJDFUTHBENS-JOCHJYFZSA-N 441.499 5.002 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1cccc(O)c1)c1cccc2ccccc12 1862650357 UBSWYCMYVMWJEW-VWLOTQADSA-N 441.527 5.847 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862661587 WBXMSKNVAKTVNF-VWLOTQADSA-N 443.518 6.036 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1cccc(OCC)c1 1862704011 OMHRAHTUCHXIOR-QHCPKHFHSA-N 437.536 5.253 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc3ccccc23)c1 1862705306 VBYOKHNPPNGCNY-RUZDIDTESA-N 441.527 5.759 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2[C@H](C)CC)c1 1862720463 WQKHIWFMUJSDGS-IQGLISFBSA-N 443.543 6.005 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(C)cc1 1862722732 XWJAEZHSHBFLPZ-AREMUKBSSA-N 439.555 6.431 30 10 IKEE Cc1cc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(Cl)cc3C)C2=O)ccc1F 1863093205 WQNQVSZULMKFTA-UHFFFAOYSA-N 445.881 5.364 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(OC)cc2)C1=O 1863329889 ODLICYBNCIPWHK-OAQYLSRUSA-N 431.536 5.118 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(F)c(C)c2)C1=O 1863469653 SVFLGVUNEKAEOP-HXUWFJFHSA-N 433.527 5.557 30 10 IKEE CCCCCCCCCCCC(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 1865984760 GGCYRJUTAINLGW-QFIPXVFZSA-N 425.032 6.653 30 10 IKEE CCCc1nc(Nc2ccccc2C#N)cc(N2C[C@H](CC)Cc3cc(OC)ccc32)n1 1868399098 ZULNHLGRZCGTRC-GOSISDBHSA-N 427.552 5.773 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N2CCC[C@@H](C)C2)nn1-c1ccccc1Cl 1869990645 BKYXIBKKXCGDAJ-GOSISDBHSA-N 432.012 5.846 30 10 IKEE N#Cc1nnn(Cc2c(Cl)cccc2Cl)c1NC(=O)c1ccc(Cl)cc1Cl 1870108358 CGLYCZWMECWRCK-UHFFFAOYSA-N 441.105 5.064 30 10 IKEE Cc1ccc2[nH]c(C(=O)Nc3c(C#N)nnn3-c3ccc(Cc4ccccc4)cc3)c(C)c2c1 1870160080 WHHBHRRJDWGZBF-UHFFFAOYSA-N 446.514 5.080 30 10 IKEE C=CCn1cc(OCc2cccc(Cl)c2)c(=O)cc1CSc1ccc(Cl)cc1 1870251783 ULXHIGBNAYWHBT-UHFFFAOYSA-N 432.372 6.212 30 10 IKEE CCCCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CN(CCC)CCC 1870353557 WHGCUEQRRLVZFX-UHFFFAOYSA-N 434.709 7.036 30 10 IKEE C=CCn1cc(OCc2ccccc2C)c(=O)cc1CNc1ccc(N2CCCC2)cc1 1871079419 JEQIYOGHEMFLQD-UHFFFAOYSA-N 429.564 5.134 30 10 IKEE CCCCCCCCCCNC(=O)[C@]1(C)Oc2ccccc2N(Cc2ccccc2)C1=O 1871323425 MJDQWPPHQLJJLU-MHZLTWQESA-N 436.596 5.628 30 10 IKEE Cc1cc(C)cc(OCCN2COc3ccc4c(c3C2)O/C(=C\c2cccc(F)c2)C4=O)c1 1871347162 CZXWSOLGDGKEDH-QFEZKATASA-N 445.490 5.290 30 10 IKEE CCc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(C3CCCCCCC3)C4)C2=O)cc1 1871355292 BYKZOUQHSMRJND-MYYYXRDXSA-N 431.576 6.438 30 10 IKEE Cc1cc(O)c(CN(C)C2CCCCC2)c2c1C(=O)/C(=C/c1cn(C)c3ccccc13)O2 1871393556 VMYPHRBRIAUIHB-OYKKKHCWSA-N 430.548 5.573 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871406983 LDUQGOIQZHPPKS-PGECNJAHSA-N 431.463 5.465 30 10 IKEE CC(C)(C)c1ccc(OCCOc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871415097 VJQCJFUZHSYAKO-XYGWBWBKSA-N 448.946 6.712 30 10 IKEE Cc1c(OCCC(=O)OCCC(C)C)ccc2c1O/C(=C\c1cccc(Cl)c1)C2=O 1871428993 CXGLRJSTGTXINC-STZFKDTASA-N 428.912 5.623 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 1871432125 VKLGYLUYKFCHRW-SUVVMJBMSA-N 431.463 5.465 30 10 IKEE Cc1ccc(CCOc2ccc3c(c2)O/C(=C\c2ccccc2Br)C3=O)cc1 1871437486 AJNLCQYMOSTQRH-UCQKPKSFSA-N 435.317 5.995 30 10 IKEE Cc1cc(OCCC(=O)Nc2ccccc2)cc2c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O2 1871447377 RHKGGBITMDBNEQ-XYGWBWBKSA-N 441.527 6.142 30 10 IKEE CCCCCCCCN=c1nc(N2CCC(C)CC2)[nH]c(=Nc2cccc3ccccc23)[nH]1 1871729949 ZOCVCHYAJJFAKY-UHFFFAOYSA-N 446.643 5.621 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(Cl)cc1 1872527626 GYANSSNCCOGGKM-JOCHJYFZSA-N 449.016 5.331 30 10 IKEE COc1ccc(OC)c(/C=C/C(=O)[C@@H](C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)c1 1872780871 MSXYGGHQTSAPIP-WFNSPDMASA-N 446.572 5.951 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)c2c(F)cccc2Cl)n1 1872786889 VNSHNAYPKPOHHV-ZDUSSCGKSA-N 435.307 6.063 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1Cl 1872789672 QIBLXCNQLUYNJG-GFCCVEGCSA-N 448.287 5.524 30 10 IKEE C=CCc1ccccc1OCc1ccc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 1872859451 RAJMRFBIFCUXMO-FWMRXGEISA-N 429.604 6.329 30 10 IKEE CCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C/c1ccc2cc[nH]c2c1 1873501658 HUFXYPZHXNHOCN-JVWAILMASA-N 431.609 6.184 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)cc2C)cc2c(NCc3ccccc3Cl)ncnc21 1873606382 SRRMTLPCXKZPAZ-UHFFFAOYSA-N 445.954 5.752 30 10 IKEE Cc1ccc(OCCCc2nnc(SCc3ccccc3C)n2/N=C/c2ccc[nH]2)cc1 1874251451 DILJFRKWPYJBTE-WPWMEQJKSA-N 445.592 5.409 30 10 IKEE Cc1cccc(CSc2nnc(COc3cccc(C)c3C)n2/N=C/c2cccn2C)c1 1874321644 CCXBMACFWSPYAZ-CVKSISIWSA-N 445.592 5.295 30 10 IKEE COC(=O)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(C(C)(C)C)cc1 1874365507 GHOCROAWEYACKT-ZMOGYAJESA-N 442.972 5.043 30 10 IKEE COc1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCc2ccc(C)cc2)cc1 1874377501 ZEKBXWONSJTYMA-JVWAILMASA-N 446.551 5.500 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccc(F)cc3)n2/N=C/c2ccccc2C)c1 1874379657 FMYWSNBFDZHGEC-LQKURTRISA-N 444.579 6.108 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccccc3)n2/N=C/c2ccccc2O)cc1 1874382328 JTFPMZKLHLWLDY-MFKUBSTISA-N 430.533 5.046 30 10 IKEE Cc1cccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccc(C(C)C)cc2)c1 1874406300 FXPZPLHMESVARB-MTDXEUNCSA-N 446.664 7.007 30 10 IKEE CC(C)(C)Cc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccc(O)cc1 1874440187 NPOGESQOMCNPHM-WYMPLXKRSA-N 449.407 6.054 30 10 IKEE Clc1ccccc1CSc1nnc([C@@H]2CCCO2)n1/N=C/c1cccc2ccccc12 1874446006 QDNVHGIXDNVVOW-WGLQLPMYSA-N 448.979 6.111 30 10 IKEE Fc1cccc(CSc2nnc(C3CCCC3)n2/N=C/c2ccc3c(c2)OCCO3)c1 1874454860 YQOBMGXMGQOWMA-AFUMVMLFSA-N 438.528 5.021 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(SCc2cccc(F)c2)nnc1-c1ccco1 1874466179 UWBYHZUMTVFDLI-AFUMVMLFSA-N 436.512 5.639 30 10 IKEE CCCCc1nnc(SC)n1/N=C/c1ccc(OCc2ccccc2C)c(OCC)c1 1874475687 MRHIYDAHSRYMCF-PCLIKHOPSA-N 438.597 5.511 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccccc2CC)n1/N=C/c1ccc(C)cc1 1874476762 VCHUIVIFYMIPNH-PCLIKHOPSA-N 435.597 5.105 30 10 IKEE CC(C)Cc1nnc(SCc2cccc3ccccc23)n1/N=C/c1cccc([N+](=O)[O-])c1 1874490682 DUABCZOJPZCYEN-MFKUBSTISA-N 445.548 5.713 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc(N(C)C)cc1 1874491189 DMQKQORENXOVED-ZVHZXABRSA-N 428.005 5.371 30 10 IKEE CC(C)Cc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1cc(Cl)ccc1O 1874492376 KQHBOUHOTAWIMY-FOKLQQMPSA-N 435.380 5.664 30 10 IKEE CCCOc1ccc(/C=N/n2c(COC)nnc2SCc2ccc(Cl)cc2)cc1 1874503060 OMVBCZAATNRQPT-YDZHTSKRSA-N 430.961 5.041 30 10 IKEE Cc1ccc(Cc2nnc(S)n2/N=C/c2cccc(OCc3ccccc3Cl)c2)cc1 1874561290 LQRKFOCVKFPDCP-CVKSISIWSA-N 448.979 5.581 30 10 IKEE O=C(/C=C/c1c(OCc2ccccc2Cl)ccc2ccccc12)c1ccc(F)cc1F 1874577008 QXWNWILIZXSJRX-OUKQBFOZSA-N 434.869 7.247 30 10 IKEE O=C(/C=C/c1ccccc1OCc1nc(O)c2ccccc2n1)c1cccc2ccccc12 1874582220 DHFHDSSJAQLAFK-WUKNDPDISA-N 432.479 5.964 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)c(OC)c1 1874587803 FZACAINLRKZXAH-CCEZHUSRSA-N 442.486 6.471 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OCC(=O)N[C@H](C)c1ccccc1 1874596043 LKZULYNURUBLNY-XWGMLZDCSA-N 447.506 5.295 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccccc3CC)c2)cc1 1874596563 ZEIDGLDUJGWBHT-SFQUDFHCSA-N 443.543 5.951 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OCc1ccc(Cl)c(Cl)c1 1874598043 QQQGKLXPHCPWLN-FPYGCLRLSA-N 449.280 6.755 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(OC)c1OCc1ccc(C)cc1 1874609513 VUWNTCWOZUMHIS-LFIBNONCSA-N 428.528 6.216 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OCc1cccc(C)c1 1874630669 NSXBIAIJDBQKLX-ZRDIBKRKSA-N 430.544 6.494 30 10 IKEE CCOc1ccc(CC(=O)Oc2cc(/C=C/C(=O)c3ccc(F)c(C)c3)ccc2OC)cc1 1874704075 VYQOLDVFCJPCFA-NTUHNPAUSA-N 448.490 5.586 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3sccc3C)c(OC)c2)c1 1875102857 QRIPEWIIILFLJX-CMDGGOBGSA-N 438.501 5.198 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)ccc1OC(=O)Cc1ccccc1F 1875102958 HZUWVMJDMMJHNF-RVDMUPIBSA-N 432.491 5.831 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3ccco3)c(OC)c2)cc1 1875106014 XWFFGKCJTLHMCP-JLHYYAGUSA-N 438.907 6.400 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(C)c3)cc2Cl)cc1 1875107328 KPHXTYNZEPABCZ-NYYWCZLTSA-N 436.891 5.781 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OC(=O)c1ccccc1OC 1875110670 WGSJUZKPUSRYCI-WYMLVPIESA-N 436.891 5.863 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1 1875113897 DKYYYEJDILEBMR-SWGQDTFXSA-N 427.283 6.117 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 1875126842 DTCAEPVNGOBPMF-FOWTUZBSSA-N 435.520 6.393 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 1875128857 YDSPZIQCNLNUSJ-GZTJUZNOSA-N 428.528 6.498 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2)cc1 1875131685 JZQBXZXWRAAEFZ-LZYBPNLTSA-N 430.500 5.583 30 10 IKEE Cc1ccsc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1 1875165793 ZCKBIHOSJMNULY-CXUHLZMHSA-N 440.520 6.964 30 10 IKEE CCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1OC 1875185892 UGCAARQIFDRYSR-VOTSOKGWSA-N 439.291 5.231 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]12CCC[C@H]1CN(C(=O)OC(C)(C)C)C2 1922075449 XAEFGQLNURRYPX-FXSPECFOSA-N 428.617 5.165 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C12CC2 1925723780 ZMEOUQFVZFRICG-XMMPIXPASA-N 433.593 5.382 30 10 IKEE C=C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(C)C)[C@@H](CCCC)C(=O)O 1927515254 YACKMBUARHQUDL-RPLLCQBOSA-N 435.564 5.997 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1[C@H](C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1937960094 KJXCFZAEVZMPLU-NJAFHUGGSA-N 435.590 5.023 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H]2C[C@](C#N)(N(C(=O)OC(C)(C)C)C3CCCC3)CC[C@H]21 1940550897 JTQKMKRIEGQSON-RGZWJVDOSA-N 433.593 5.238 30 10 IKEE CCCCCCCCCC[C@H](O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1947481795 UKXUGYKMRXAKLI-ZEQRLZLVSA-N 435.649 6.378 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)CCC1(C)C 1950224186 AKIUQRPEVMHQOX-HSZRJFAPSA-N 449.617 5.557 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CC[C@](F)(CNC(=O)OC(C)(C)C)C1 2003063792 PULXSQIDWJGFHQ-WRALFONMSA-N 434.596 5.161 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCCN(C(=O)OC(C)(C)C)C2)cc1 2005381458 AIMRBSGMYYDHLM-XMMPIXPASA-N 429.561 5.420 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H]1N(C(=O)OC(C)(C)C)CCC12CCCC2 2009265303 KHAHLCGVAXEXCI-GOTSBHOMSA-N 428.617 5.307 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@](C)(NC(=O)OC(C)(C)C)C1CCCC1 2024529690 MYGWBIKLUNJROP-BVAGGSTKSA-N 430.633 5.601 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@](C#N)(CN(C)C(=O)OC(C)(C)C)C(C)(C)C)cc1 2032011869 DCGLCXZZXKTKSH-RUZDIDTESA-N 445.604 5.912 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@H]1CC(C)(C)CN1C(=O)OC(C)(C)C 2033717044 JEQBRBFQWYXGHC-UXHICEINSA-N 443.588 5.664 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(Cc3ccccc3)[C@H](C)C2)cc1 2037530017 YYIILTZXDZMDJV-FQRUVTKNSA-N 435.568 5.384 30 10 IKEE N#CCCn1cc(C=CC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c2ccccc21 2040430109 HQWQGEVGKBNZRB-JOCHJYFZSA-N 426.545 5.542 30 10 IKEE CC1(C)OB(c2ccc(C(F)(F)F)c(N(Cc3ccccc3)CC(F)F)c2)OC1(C)C 2052617565 FLEMIHFQHFPXEE-UHFFFAOYSA-N 441.249 5.276 30 10 IKEE CC(C)(C)OC(=O)N[C@@]1(C(=O)C2=CC[C@H](C(C)(C)C)CC2)CCN(Cc2ccccc2)C1 2061119219 NLTKCNCKOLMJOM-CUNXSJBXSA-N 440.628 5.498 30 10 IKEE C#CCCC[C@@H](NCCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071269183 ZKDWIXMBHDITFA-HHHXNRCGSA-N 427.588 6.689 30 10 IKEE Fc1nc(-n2nc(C3CCC3)c(Br)c2C(F)(F)F)ccc1C(F)(F)F 2078861305 AOBDHGVDBLXRNW-UHFFFAOYSA-N 432.137 5.474 30 10 IKEE Cc1nn([C@@H](c2ccc(C(F)(F)F)cc2F)C2CCC2)c(Br)c1C=NO 2079877434 YDRXIQLQUJOQDI-OAHLLOKOSA-N 434.231 5.310 30 10 IKEE ON=Cc1c(C(F)(F)F)nn([C@H](c2ccc(C(F)(F)F)cc2F)C2CCC2)c1Cl 2079969980 LPDCHVKONJSHAR-ZDUSSCGKSA-N 443.750 5.911 30 10 IKEE COc1ccc([C@@H](C2CCC2)n2nc(C3(C)CC3)c(C=NO)c2Br)c(F)c1 2080064867 YQQOVGXHPLMHLH-QGZVFWFLSA-N 436.325 5.042 30 10 IKEE N#Cc1c(C2CCCCC2)nn(Cc2c(F)cccc2C(F)(F)F)c1Br 2080306719 OACQTIHOOHSVQO-UHFFFAOYSA-N 430.243 5.771 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Cl)cc(Br)c1 2081558955 CUTJFTUOPVSIIW-IRXDYDNUSA-N 431.802 5.613 30 10 IKEE CCCC#CC[C@@H](N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2083448306 RTJZNUXXXSBIPX-LEAFIULHSA-N 429.560 5.399 30 10 IKEE C=CCCCCCCCC[C@H](CCCN(Cc1ccccc1)C(=O)OC(C)(C)C)NCC 2086278322 GYENZTNSRMKVLZ-AREMUKBSSA-N 444.704 7.489 30 10 IKEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1c(C)sc(C)c1Br 2092953525 PYCAWGLWFRPJDA-OAHLLOKOSA-N 444.439 5.271 30 10 IKEE C=CCC1([C@H](NCC)c2c(F)cccc2Br)CN(C(=O)OC(C)(C)C)C1 2116827457 BJPFPUVMISDIHB-QGZVFWFLSA-N 427.358 5.052 30 10 IKEE C=CCCCCCCCCNc1ccc(I)c(Br)c1 2142453134 OJNRXNIOKSAFLU-UHFFFAOYSA-N 436.175 6.382 30 10 IKEE CC(C)(C)OC(=O)NCC[C@H]1CCC[C@H](Nc2cc(Br)cc(F)c2C#N)C1 2163701505 ZAQKCXOTWACLCG-HIFRSBDPSA-N 440.357 5.345 30 10 IKEE N#Cc1c(F)cc(Br)cc1NC[C@]12CC[C@H]1CCCN2Cc1ccccc1 2163707446 JYRCCGWKCXDYJM-VGOFRKELSA-N 428.349 5.317 30 10 IKEE CC1(C)OB(c2cnc3c(N(Cc4ccccc4)C4CCCCC4)ccnc3c2)OC1(C)C 2172782789 WPUPJSGXQJPGHW-UHFFFAOYSA-N 443.400 5.268 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(Br)c(C#N)c2)c(F)c1 2180964802 XPGIDSCFISRMRW-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2ccc(F)cc2C#N)ccc1Br 2181055145 FQSHADWCQHNAST-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE C=CC[C@](C)(CO)N(C(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(OC)c1 2211052288 PITYOFXUHMQRAX-MUUNZHRXSA-N 443.543 5.778 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)CC[C@@H](C)CCNC(=O)OC(C)(C)C 2235728564 RJJPPMUOENVUPF-MJGOQNOKSA-N 437.422 5.110 30 10 IKEE C#CCCN(CCC)C(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2243925713 ZXZGFESXEUZIHT-SANMLTNESA-N 446.591 5.202 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@]1(C#N)[C@H]2CCC[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C2 2249384139 KCCUHTWIPSQAKX-HQWLIXQVSA-N 435.609 5.245 30 10 IKEE CC(C)(C)OC(=O)NCc1ccc(Cl)cc1Nc1ncc(Br)cc1C#N 2268701715 RWSFHXPSKWDVKE-UHFFFAOYSA-N 437.725 5.137 30 10 IKEE Cc1cccc(NC(=O)OC(C)(C)C)c1C(=O)Nc1ccc(Br)cc1C#N 2283398216 DTANNXDMIAXWBI-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE CCN[C@@H](C#Cc1cccc(Br)c1)CCCCCCNC(=O)OC(C)(C)C 2296271824 HPKURHUKGQMWCY-HXUWFJFHSA-N 437.422 5.254 30 10 IKEE CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)[C@H](O)C#Cc1ccc(Br)cc1 2296276835 MHOKFKZMPYVJEE-WOJBJXKFSA-N 436.390 5.025 30 10 IKEE COc1ccc(C=C2SC(=NCc3ccccc3)N(Cc3ccccc3)C2=O)cc1C 2297305264 BAQGGTWHWFIMHJ-UHFFFAOYSA-N 428.557 5.676 30 10 IKEE C#CCOc1c(Cl)cc(C=C2SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC 2297342297 ZLOQDEMQFPTAIE-UHFFFAOYSA-N 434.300 5.255 30 10 IKEE COc1ccc(C=C2Oc3c(ccc4c3[C@@H](c3ccc(F)c(F)c3)CC(=O)O4)C2=O)cc1 2297639759 CZGGGGKWSISETH-QGZVFWFLSA-N 434.394 5.031 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2308984360 KDRFGMIUHBBLLS-HUTRQKEOSA-N 445.535 5.153 30 10 IKEE CC(C=Cc1ccccc1)=NNc1nc(SCC(=O)Nc2cccc3ccccc23)n[nH]1 2313602129 OPCWAIRDTYGLFY-UHFFFAOYSA-N 442.548 5.190 30 10 IKEE CCCCCCCCCCCCCCCCNC(=S)NC(=O)C=Cc1ccc(C)cc1 2313617507 NWTLCFNGKHVERD-UHFFFAOYSA-N 444.729 7.480 30 10 IKEE CCCCCCCOc1ccc(NC(=S)NC(=O)C=Cc2ccc(OCC)cc2)cc1 2313890567 PZKSQPSLFAJKRK-UHFFFAOYSA-N 440.609 5.961 30 10 IKEE O=C(C=Cc1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)cc1 2314429468 HYKZSQBNLOEBCP-UHFFFAOYSA-N 449.462 6.377 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2314438288 NTELUEGUGLRVIH-UHFFFAOYSA-N 432.903 6.473 30 10 IKEE CCCCOc1ccccc1C=CC(=O)Nc1sc(=S)c2c(c1C#N)CC[C@H](C)C2 2314795775 PDXWIODOSJAEEL-INIZCTEOSA-N 438.618 6.305 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C2CC2)cc1 2320917924 PBNMBBZVZUJJTO-UHFFFAOYSA-N 442.991 6.420 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccccc1OC(C)C 2321020535 QSSWALMMCJOFPQ-UHFFFAOYSA-N 449.407 6.109 30 10 IKEE CCCCCCCCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1cccs1)C3=O 2322131461 BGLWGSNWZUXZQS-UHFFFAOYSA-N 439.621 6.965 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc3c2CN(Cc2cccc(Cl)c2)CO3)C1=O 2322211021 HJMDEKTZRKTOBC-UHFFFAOYSA-N 447.918 5.707 30 10 IKEE CCc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCCc2ccccc2)C4)cc1 2322214606 RKMKFTGNOKRIEW-UHFFFAOYSA-N 439.555 5.958 30 10 IKEE O=C1C(=Cc2ccc(F)cc2)Oc2c1ccc1c2CN(CCCCc2ccccc2)CO1 2322249333 MBOZUPVBUYCKCA-UHFFFAOYSA-N 429.491 5.617 30 10 IKEE CCOc1cccc(C=Nn2c(S)nnc2CCCOc2ccc3ccccc3c2)c1 2322267116 GTKYWFJVNGKIGI-UHFFFAOYSA-N 432.549 5.013 30 10 IKEE COC(=O)c1ccc(COc2ccc(Cl)cc2C=CC(=O)c2ccc(OC)cc2)o1 2322455960 DTSDFTHMPMFIPN-UHFFFAOYSA-N 426.852 5.203 30 10 IKEE Cc1ccc(NC(=O)COc2ccccc2C=CC(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 2322466262 JHXRWQWSQOBMMV-UHFFFAOYSA-N 430.460 5.125 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2cc(C)ccc2C)c(C)c1C 2322815592 VQASNGSRQSDYGJ-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccccc1OCc1c(F)cccc1Cl 2322952952 NLONUCMUGQRWCT-UHFFFAOYSA-N 436.954 7.560 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OCc3c(Cl)cccc3Cl)c2)cc1 2323157507 NBLYHALKSAQQJY-UHFFFAOYSA-N 441.354 7.257 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc(C(F)(F)F)cc4)c3C)C2=O)cc1 2323352989 RJYZFJPVIKVDLW-UHFFFAOYSA-N 438.401 6.158 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc(Cl)c2)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 2323423224 TVYYZVMKMCBGGC-UHFFFAOYSA-N 447.918 6.602 30 10 IKEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C12CCCC2 2323473398 KMURBUBAEGVSLR-AREMUKBSSA-N 442.600 5.232 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 2323802558 FIQPLYVJSFXMAO-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccccn1)C2=O)c1cccc(OCc2ccccc2)c1 2323852009 GKFXNQIANZUPIS-UHFFFAOYSA-N 449.462 5.496 30 10 IKEE Cc1c(OC(=O)CCc2cccs2)ccc2c1OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2323978936 NQIBPTGJAZHNRM-UHFFFAOYSA-N 446.568 6.508 30 10 IKEE COc1ccc(OC)c(C=C2Oc3c(CN(C)C4CCCCC4)c(O)cc(C)c3C2=O)c1 2324073794 PMWAYOYUIKMZCP-UHFFFAOYSA-N 437.536 5.099 30 10 IKEE N#C[C@@H](C(=O)C=Cc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc3ccccc3c2)cs1 2324352117 KWZXJNJYTUVRSO-NRFANRHFSA-N 425.469 5.761 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2[N+](=O)[O-])cc1 2324451238 QQGPEMJMRFEYTN-UHFFFAOYSA-N 444.487 5.434 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2cccs2)C3=O)c1 2324455911 SRLGATWWQQKBFU-KRWDZBQOSA-N 433.529 5.696 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Br)c(OC)c(OC)c2)c(OCC)c1 2324495696 RECOESXLUWIMCX-UHFFFAOYSA-N 435.314 5.160 30 10 IKEE COc1ccc(C=Nn2c(C)nnc2SCc2ccc(Cl)c(Cl)c2)cc1OC 2325642554 IIGFYLKYMIOMRH-UHFFFAOYSA-N 437.352 5.085 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(-c4ccccc4)cc3)c2)cc1 2325669197 RKVYAEGTPNHLIO-UHFFFAOYSA-N 448.518 6.406 30 10 IKEE COc1cccc(COc2ccc3c(c2C)OC(=Cc2ccc(OC)c(OC)c2)C3=O)c1 2325690856 KEXFYJZVJICBMD-UHFFFAOYSA-N 432.472 5.216 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OC(=O)Cc1ccccc1Cl 2325741178 XCXGSNNJBWGOPI-UHFFFAOYSA-N 438.882 5.840 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)c2ccccc2Cl)c1 2325781714 TZUBBOHFWHAREZ-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE CCCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1cccc(C)c1 2325905625 LJPJUMRQRMTIFN-UHFFFAOYSA-N 436.625 6.156 30 10 IKEE Cc1nnc(SCc2ccccc2)n1N=Cc1cc(Cl)c(OC(C)C)c(Cl)c1 2326211698 OEAZNHOJVPAKGD-UHFFFAOYSA-N 435.380 5.855 30 10 IKEE COc1ccccc1CCc1nnc(SCc2ccccc2)n1N=Cc1sccc1C 2328691517 KTDWQKJKSDGCRP-UHFFFAOYSA-N 448.617 5.616 30 10 IKEE COc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2N=Cc2ccccc2)cc1 2329292484 JJJULWMLAPDCEY-UHFFFAOYSA-N 448.979 5.705 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2ccccc2F)cc1C 2329432776 JVPLJYQESGOWSV-UHFFFAOYSA-N 444.579 5.842 30 10 IKEE C=CCNC(=O)Oc1cccc2c(NC(=O)C=Cc3ccc(Cl)cc3Cl)cccc12 2329872687 VKNNHRUJIDSSOB-UHFFFAOYSA-N 441.314 6.073 30 10 IKEE O=[N+]([O-])c1ccccc1C=Nn1c(SCc2cccc(F)c2)nnc1-c1cccs1 2330556703 ZISAMEIUCCFZGG-UHFFFAOYSA-N 439.497 5.228 30 10 IKEE Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1N=Cc1ccccc1F 2330649159 NCZHEEWEQGVJRI-UHFFFAOYSA-N 445.523 5.006 30 10 IKEE Clc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2-c2ccccc2)cc1 2330684771 AOCRAMLNXJFSQZ-UHFFFAOYSA-N 439.371 6.426 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccc(C)c(C)c3)c(Cl)c2)cc1 2330743786 RDBUCVBMAMZNLZ-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE CCSc1nnc([C@H]2CCCO2)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2330944077 DXCIUJVZKFKLIO-HXUWFJFHSA-N 442.972 5.356 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)ccc1OC(=O)CCc1ccccc1 2330944195 VJDFGCSITCIHHI-UHFFFAOYSA-N 434.919 6.173 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)ccc1OC(=O)[C@H](C)c1ccccc1 2330979755 ZESKXANHOZTQJS-LJQANCHMSA-N 430.500 5.699 30 10 IKEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC(=O)CC(C)(C)C 2331017111 MRNLLIAYBHRRPU-UHFFFAOYSA-N 431.872 5.495 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccc(C)cc3)nnc2C2CCCC2)c1OC 2331029185 IWAKJTGQAQMMJA-UHFFFAOYSA-N 436.581 5.436 30 10 IKEE O=[N+]([O-])c1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2C2CCCC2)cc1 2331031043 QFJKMFFRVZTVPD-UHFFFAOYSA-N 425.489 5.158 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccccc3OC)cc2Cl)cc1 2331063814 ZQZXWQMHXZDPET-UHFFFAOYSA-N 448.946 6.345 30 10 IKEE Cn1cccc1C=Nn1c(SCc2c(Cl)cccc2Cl)nnc1C1CCCC1 2331081499 ROQPZFZTCKZFNR-UHFFFAOYSA-N 434.396 5.756 30 10 IKEE O=C(CSc1ccccc1)Oc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1 2331240152 XNTNKCKFKAQECY-UHFFFAOYSA-N 443.351 6.587 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccccc1F 2331254411 IQZNISOHVWOBCX-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)CSc1ccccc1 2331330698 CHUJQTMXXDNHAC-UHFFFAOYSA-N 432.541 5.906 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)[C@H](C)c1ccccc1 2331334769 JANCHHRBXLXABD-GOSISDBHSA-N 448.490 5.757 30 10 IKEE COCCC(=O)Oc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1Br 2331496129 QHKMCXUIYIXXEH-UHFFFAOYSA-N 431.326 5.411 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2C2CCC2)cc1 2331523685 QOMPONNKQYBYEF-UHFFFAOYSA-N 434.609 6.126 30 10 IKEE CSCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(F)cc2)cc1Br 2331527787 XUTZIUCXSSZVSK-UHFFFAOYSA-N 437.330 5.533 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3[N+](=O)[O-])cc2)c(C)c1C 2331611970 LEGSOYQABYKOIM-UHFFFAOYSA-N 445.471 5.264 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2cc(Cl)ccc2OC)cc1OC 2331885142 CWJYOOBTIGPCER-UHFFFAOYSA-N 430.928 6.129 30 10 IKEE N#Cc1nnn(-c2ccc(Nc3ccccc3)cc2)c1NC(=O)C=Cc1ccccc1Cl 2332189072 ZPIFDSHMMHKHRZ-UHFFFAOYSA-N 440.894 5.188 30 10 IKEE CN[C@@H](C#C[C@H]1[C@@H]2COC[C@H]12)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2341637190 KZQDIPKCWGIANI-NFGXINMFSA-N 439.555 5.001 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1c(C)c(C)c(Br)c(C)c1C 2375344044 IRNQITRBXSWHAW-FXAWDEMLSA-N 439.438 5.803 30 10 IKEE COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)NC2=O)ccc1OCc1ccc(C)cc1 2766048 GDGBYQMPCKVJGT-BUVRLJJBSA-N 444.556 5.783 30 10 IKEE CC(C)c1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(Cl)c(Cl)c2)C3)cc1 21220497 SVBIZNPVFQGXIY-MSOLQXFVSA-N 428.359 6.121 30 10 IKEE COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2OC)C3)cc1 21253394 VOFQCSWNAADGRM-XRHLQHRESA-N 426.516 5.683 30 10 IKEE Cc1c(/C=N/c2ccc3oc(-c4ccccc4)nc3c2)c(O)n2c(nc3ccccc32)c1C#N 27472156 VCIYUVFLXGPEJK-WKULSOCRSA-N 443.466 5.932 30 10 IKEE CCc1cccc(N/C(=N\C(=O)c2ccc(C)c(F)c2)NCCc2c[nH]c3ccccc23)c1 32943217 PPRZQEBAUUYVGG-UHFFFAOYSA-N 442.538 5.618 30 10 IKEE COc1ccc(C(=O)Oc2ccc(Br)cc2C(=O)/C=C\c2cccs2)cc1 33442445 BQEBJAIPMNWHPI-KTKRTIGZSA-N 443.318 5.635 30 10 IKEE CC(/C=C1\S/C(=N/c2cccnc2Cl)N(C2CCCCC2)C1=O)=C\c1ccccc1 39864157 QBLZUOUUZBQXBP-KYVDDYOGSA-N 437.996 6.618 30 10 IKEE COc1cccc(/C=C2\S/C(=N/c3ccncc3Cl)N(C3CCCCC3)C2=O)c1 39864577 ZPIRBWWGAZMBNH-HCNWTGQWSA-N 427.957 5.680 30 10 IKEE CC(=O)/C(=N\Nc1ccc([N+](=O)[O-])cc1)Sc1nc2ccccc2n1-c1ccccc1 59121506 ZTCYUHKKCPSRDA-NJNXFGOHSA-N 431.477 5.040 30 10 IKEE C[C@@H](Oc1ccc(/C=C2/S/C(=N/c3ccccc3)N(c3ccccc3)C2=O)cc1)C(=O)O 59302730 XDMKMXGMKYAWSP-NPQWVAMNSA-N 444.512 5.347 30 10 IKEE CCCCCCCC(=O)NC(=S)Nc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1 59927282 OTZGQKXOTORPQZ-SFHVURJKSA-N 425.598 5.351 30 10 IKEE CC(C)c1ccc(NC(=O)C2CCN(c3c(C#N)cnc4ccc(Cl)cc34)CC2)cc1 64473831 CVCJVDCKRLVVOA-UHFFFAOYSA-N 432.955 5.738 30 10 IKEE CCOC(=O)c1sc2nc(-c3ccc(C#N)cc3)c(NCc3cccc(C)c3)n2c1C 65315830 TVFONCGRDAETMH-UHFFFAOYSA-N 430.533 5.340 30 10 IKEE CCN(CC)c1ccc(/C=C\C(=O)c2c(C)nc3ccc(C)cc3c2-c2ccccc2)cc1 96315874 GTRFNHUQKVSITM-CYVLTUHYSA-N 434.583 7.261 30 10 IKEE C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)S/C1=N/c1cccc2ccccc12 100992027 VOFBKTRGDNDUCS-GOTSBPSXSA-N 429.545 5.295 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(N(C)CCCC)c1[N+](=O)[O-] 101473003 FLSQDRLTVMIIQA-UHFFFAOYSA-N 449.684 7.514 30 10 IKEE Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1csc(-c2ccsc2)n1 106115840 ZIKCLOUVCDIVIG-UHFFFAOYSA-N 432.530 5.420 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2cccc(F)c2)cc1 169921610 AUQIXBSOIKDQCT-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 169936312 AVRDVLVTAAXHGR-QFIPXVFZSA-N 444.874 5.003 30 10 IKEE CN1C(=S)N[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C2=C1CCCC2=O 169936899 HWYXZEWTBXTLLT-OAQYLSRUSA-N 447.387 5.441 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2cccc(C)c2)c1 169972353 MMFLRJUXNMVEOC-DEOSSOPVSA-N 445.490 5.311 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc(C)c2)c1 169972864 JQLHGVPQEIBOIF-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccccn2)cc1 170067477 SIUJXTYIDIQXLY-HSZRJFAPSA-N 430.479 5.123 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccccc1C 170087922 RHZOKVJPGYRAQD-QFIPXVFZSA-N 435.426 5.065 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccco2)c1 170089697 XVZHXWTYKMNSJT-QHCPKHFHSA-N 443.455 5.598 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]2c2ccc(C)o2)cc1 170101864 BXLNLTGVEIQORJ-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccc1OC(C)C 170151251 ZZRGCZOORHCBCM-DEOSSOPVSA-N 429.516 5.615 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccccn2)ccc1Cl 170172269 SZRUSLSVMHBKGZ-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2cccnc2)c1 170187663 LNSVJHRHKYRMOI-XMMPIXPASA-N 442.515 5.270 30 10 IKEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(C(C)C)cc1 170244467 NJQUGFYNKHXBOF-FQEVSTJZSA-N 448.346 5.342 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccccc1F)c1cccc2ccccc12 170247875 WWGMTFUUTNHUFW-XMMPIXPASA-N 441.433 5.901 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1F)c1cc2ccccc2o1 170248170 XKDZLVICFOEMJL-JOCHJYFZSA-N 431.394 5.494 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(C4CCCC4)[C@H]3c3ccccc3F)oc12 170253698 MIBKDTHSRYOTFK-NRFANRHFSA-N 435.451 5.101 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccco2)c(C)c1 170289446 FYNHSUFHGMYJQN-HSZRJFAPSA-N 431.488 5.467 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(C)o2)c1 170298117 CGIVNUBLORFYMW-IBGZPJMESA-N 443.908 5.090 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccc(C)o2)c1 170300078 HFVJPNNNPMLDTM-XMMPIXPASA-N 445.515 5.775 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(C)o2)cc1 170305209 DWVCKLUOHCXQBS-QHCPKHFHSA-N 442.471 5.031 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@H]1c1ccc(C)o1 170309230 PWKLDIOVISFPPU-OAQYLSRUSA-N 425.525 5.273 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1c1ccccc1 170314940 MKIHONNECKNSLV-NRFANRHFSA-N 433.529 5.627 30 10 IKEE CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccc(C)c2)cc1 170343714 PACPLGRZEAAOSR-NRFANRHFSA-N 447.512 5.016 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(N3CCCC3)cc2)[C@@H]1c1ccccc1F)c1ccccc1 170380744 ZWEFTQBOTLUVBR-XMMPIXPASA-N 442.490 5.209 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)ccc2C)cc1 170453347 HHMRLYMNMMDLML-DEOSSOPVSA-N 444.531 5.526 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)cc1Cl)NCCC 406151701 BWSOPSVWZZZIHM-ZWKOTPCHSA-N 445.829 5.483 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(F)cc2)cc1OC 526485646 GEKHZJAMFBQCBB-DEOSSOPVSA-N 444.462 5.162 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3ccc(OCc4ccccc4)cc3)[C@H]2c2ccco2)cc1 526491680 NYVITGQZIMVMRW-AREMUKBSSA-N 448.478 5.787 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccc(OC)c2)cc1 526605349 WDEHEDGBONFEQH-VWLOTQADSA-N 440.499 5.413 30 10 IKEE CCCCOc1cccc(/C=N\n2cnnc2SCc2c(Cl)cccc2Cl)c1 526815207 YPDSBPULAJUGIY-MSXFZWOLSA-N 435.380 5.938 30 10 IKEE Cc1nnc(SCc2cccc3ccccc23)n1/N=C\c1cc(Cl)c(O)c(Cl)c1 526821125 CBTQPNCPVSZICQ-MYKKPKGFSA-N 443.359 5.927 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 698908040 FZXFGIAOGLCZPY-OPAMFIHVSA-N 435.590 5.024 30 10 IKEE C#CCCC[C@@H](NCCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 708565398 AMUPDCCTHBNGTI-WOJBJXKFSA-N 437.422 5.057 30 10 IKEE CCOc1cc(C=Nc2cccc(C)c2)ccc1OC(=O)c1sc2ccccc2c1Cl 725398679 NDFGKKYVOGGWMZ-UHFFFAOYSA-N 449.959 7.232 30 10 IKEE CC(=NNC(=N)S[C@H]1CC(=O)N(c2ccccc2)C1=O)c1ccc(C2CCCCC2)cc1 1084242610 YXLKORQCNCWUAX-QFIPXVFZSA-N 448.592 5.048 30 10 IKEE O=C1/C(=C/c2ccc(Br)o2)SC(=Nc2ccccc2)N1C1CCCCC1 1084370100 ZCWDKFBPYYYJMF-RPAYCJQNSA-N 431.355 5.979 30 10 IKEE CC(C)(C)Cn1c(O)nc2cccc(C(=O)Nc3nc(-c4cccc(C#N)c4)cs3)c21 1127334982 GCPZTHBUARJELG-UHFFFAOYSA-N 431.521 5.035 30 10 IKEE CCCCOc1ccc(/C=C2/SC(=Nc3cccc(C)n3)N(CC)C2=O)cc1OC 1772731890 SCBPLWAYWKUAAQ-HYNSQCECSA-N 425.554 5.201 30 10 IKEE C/C(C=NN=C1S/C(=C\c2ccccc2F)C(=O)N1Cc1ccco1)=C/c1ccccc1 1772759119 LUQPNGUDHMEXCB-YLESHHBMSA-N 445.519 5.981 30 10 IKEE C=CCN1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=Nc1ccccc1C(=O)O 1772762378 ISEPCNKOMPXCLK-BPHBXOPHSA-N 433.316 5.482 30 10 IKEE CCCCCCCCCCCCCC[C@H](C)O[S@](=O)(=S)CCCCCCCC 1848349913 VWJIXEVUJAFBAX-CUBQBAPOSA-N 434.796 8.505 30 10 IKEE COc1cccc(NC(=S)N/N=C\c2cn(-c3ccc(C)cc3)nc2-c2cccs2)c1 1857811919 KCUJBPNZTHZAJE-OYKKKHCWSA-N 447.589 5.238 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)N(C)[C@@H](C#N)c1cccc(Br)c1 1857960580 NJKMNXNCYQPPGP-AWEZNQCLSA-N 428.113 5.101 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)Cc2ccc(-c3ccccc3)cc2)nc2ccccc12 1859656847 FTLKOSGOYRZNRF-UHFFFAOYSA-N 443.510 5.449 30 10 IKEE CCCCCCCCNC(=O)[C@@H](NC(=O)Cc1cc(OC)ccc1Cl)c1ccccc1 1860977548 AULQQNXWGDZCTA-DEOSSOPVSA-N 445.003 5.225 30 10 IKEE CCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)/C=C/c1ccc(Cl)c(Cl)c1 1861570893 IUHMNIYKVNIMGR-XSEIIIHRSA-N 427.416 5.768 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccc(C)cc2)cc1C 1862400948 QHYZXMYFISEFBB-RUZDIDTESA-N 445.559 5.781 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@@H]2c2ccc(O)cc2)c1 1862411131 ABELTKLDZDBEPH-QHCPKHFHSA-N 449.453 5.066 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccccc2)c1 1862433938 OPZJEHOXYTXWKG-HSZRJFAPSA-N 447.918 5.517 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccccc2F)c1 1862443366 OPHRVSGFWLVLTN-HSZRJFAPSA-N 449.909 5.874 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccc(O)cc2)cc1 1862444006 VUCDAYZWHQNVSD-JOCHJYFZSA-N 433.891 5.133 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2cccc(O)c2)c1 1862490551 YRHSFHRKPXYQHR-XMMPIXPASA-N 433.548 5.700 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCCCC2)c1 1862493391 OMJBKGFQCIIVHX-VWLOTQADSA-N 447.575 6.003 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)c1 1862493514 RFXALEHHVYSJGN-RUZDIDTESA-N 448.607 5.347 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2cccc3ccccc23)cc1OC 1862574815 ULEIIIVHXJZZGD-XMMPIXPASA-N 445.515 5.091 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C2CCCCC2)cc1 1862613577 KOOOSFYYVYRGFV-XMMPIXPASA-N 431.576 6.204 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc2c(c1)CCCN2C 1862622504 FJYKKQIRZKYQLF-DEOSSOPVSA-N 446.591 5.355 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(C)cc1 1862659887 FLYBXSUTALPJJP-AOYPEHQESA-N 447.619 7.056 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccccc2Cl)cc1 1862689109 IRWWQBJNOYEHHH-QFIPXVFZSA-N 433.891 5.127 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2[C@@H](C)CC)c1 1862720461 WQKHIWFMUJSDGS-BVZFJXPGSA-N 443.543 6.005 30 10 IKEE N#Cc1cccc(NC2=C(c3cccs3)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 1863101519 RQDWMAFGTWYYNQ-UHFFFAOYSA-N 440.311 5.323 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(F)ccc2F)=C(c2ccc(C)c(C)c2)C1=O 1863254993 KZRUYCNFNRFZSK-UHFFFAOYSA-N 440.534 6.134 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccncc2)=C(c2ccc(C)c(C)c2)C1=O 1863606546 HVFQMKZMDXJUEK-UHFFFAOYSA-N 447.623 5.709 30 10 IKEE N#Cc1cc(Br)c(NC(=O)/C=C/c2ccc(Cl)cc2)c(Br)c1 1865906607 YMLABMYIQXSFSN-ZZXKWVIFSA-N 440.522 5.389 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N1CC=C(c2ccccc2O)CC1 1866342494 NEERDQHNFFZAFY-UHFFFAOYSA-N 441.700 8.269 30 10 IKEE N#Cc1cccc(Nc2cc(N3CCO[C@@H](c4ccccc4)C3)nc(-c3ccccc3)n2)c1 1868354405 AUMPFCNMMHUDIY-XMMPIXPASA-N 433.515 5.337 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](Cc1ccccc1)NC(=O)C[C@@H](c1ccc(C)cc1)C(C)C 1868696337 SMKPCHBRDSOAOL-FTJBHMTQSA-N 432.608 5.053 30 10 IKEE C=CCOc1cn(CCCCN2CCCC2)c(CSc2ccc(Cl)cc2)cc1=O 1870245813 FWLIZBKNUJBZTA-UHFFFAOYSA-N 433.017 5.235 30 10 IKEE CCCCCCCOc1cn(Cc2cccnc2)c(CN(C)Cc2ccccc2)cc1=O 1870410974 NRKUNIAKMFVKKA-UHFFFAOYSA-N 433.596 5.273 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCCCCCC)cn1CCCCCCCC 1870412926 NVKCKABFIJTLLT-UHFFFAOYSA-N 430.677 6.732 30 10 IKEE C#CCOc1cn(Cc2ccccc2Cl)c(CN(CCCC)CCCCCC)cc1=O 1870559988 WMRHAGZQPWDVNQ-UHFFFAOYSA-N 443.031 5.744 30 10 IKEE C=CCOc1cn(Cc2cccc(C)c2)c(CNc2ccc(C(F)(F)F)cc2)cc1=O 1870809412 BFBKFSLISYZOEM-UHFFFAOYSA-N 428.454 5.401 30 10 IKEE CCCCCCCOc1cn(CCOC)c(CNc2cc(Cl)cc(Cl)c2)cc1=O 1870831784 KIDBPNQHERMEOQ-UHFFFAOYSA-N 441.399 5.763 30 10 IKEE C=CCn1cc(OCCc2ccccc2)c(=O)cc1CNc1ccc(N(CC)CC)cc1C 1871141100 BGIKPKWFKJUMTQ-UHFFFAOYSA-N 445.607 5.423 30 10 IKEE O=C1/C(=C/C=C/c2ccccc2)Oc2c1ccc1c2CN(CCc2ccc(F)cc2)CO1 1871344318 CWGZPOLZIAYNHP-JEJGOILVSA-N 427.475 5.393 30 10 IKEE Cc1ccsc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(CCCCN1CCCC1)C3 1871349324 UZTYQNHZGOCFPP-STZFKDTASA-N 438.593 5.009 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O)c1ccc(C(F)(F)F)cc1 1871376073 RQLQLEYBCYUBCJ-JAIQZWGSSA-N 428.337 5.680 30 10 IKEE Cc1cc(OC(=O)CC2CCCCC2)cc2c1C(=O)/C(=C/c1ccc(Cl)c(Cl)c1)O2 1871380377 LGDNLCJBTKAROA-NHDPSOOVSA-N 445.342 6.794 30 10 IKEE CC(C)(C)c1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCCC[C@@H]3CCO)C2=O)cc1 1871396137 RECBZTJJKNRHKI-VMTJQQBPSA-N 435.564 5.043 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3cc(OCCOc4ccc(C)cc4)ccc3C2=O)c1 1871406646 SRKRDMLQYRXGJW-MYYYXRDXSA-N 432.472 5.086 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(O[C@H](C)C(=O)Nc3cc(C)ccc3C)ccc2C1=O 1871411512 IJHAFBMKZBJRTM-DBXOKZBGSA-N 443.499 5.334 30 10 IKEE Cc1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2cccs2)C3=O)c1C 1871414661 VTMPKXXZJWRNBY-RIWZNOJBSA-N 433.529 5.696 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccccc1F)C2=O 1871440460 PZLCIXVOJHMIGT-UUYOSTAYSA-N 431.463 5.385 30 10 IKEE Cc1c(OCC(=O)Nc2cccc3ccccc23)ccc2c1O/C(=C\c1ccncc1)C2=O 1871452947 XPFINSODMOHVOY-IWIPYMOSSA-N 436.467 5.177 30 10 IKEE COc1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871459013 KWPACOYMCQIWDD-QFEZKATASA-N 443.499 5.452 30 10 IKEE C=CCN([C@H](CC)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1 1871839207 DVLJONIPOVLSJG-OAQYLSRUSA-N 434.989 5.057 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccccc1C(C)C)C(C)C)S(=O)(=O)c1ccc(C)cc1 1872438576 ONPYKPXCANRTCD-DEOSSOPVSA-N 442.625 5.349 30 10 IKEE CCCCCCCCCCNC(=O)Cc1nonc1OCCCCOc1ccccc1 1872649009 FMOBMDAIGWSEIB-UHFFFAOYSA-N 431.577 5.107 30 10 IKEE N#Cc1ccc(NC(=O)c2ccc3[nH]c(-c4ccc(OCc5ccccc5)cc4)nc3c2)cc1 1872735114 GELOBDNRNNPMNY-UHFFFAOYSA-N 444.494 5.933 30 10 IKEE COC(=O)c1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 1872760046 GBDSUTHJHCYERD-SYZXBLONSA-N 438.508 5.640 30 10 IKEE C[C@H](Oc1ccc(Cl)cc1)C(=O)[C@H](C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872763043 COHXCXKFLGIXFM-SJCJKPOMSA-N 427.869 5.015 30 10 IKEE N#C[C@H](C(=O)c1ccccc1C(=O)c1ccccc1)c1nc(-c2ccccc2Cl)cs1 1872764578 QYWJBWMGCYOOOJ-HXUWFJFHSA-N 442.927 6.185 30 10 IKEE CCOC(=O)Oc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(F)cc3F)cs2)cc1 1872767514 UDVVNLBNBBKUSL-INIZCTEOSA-N 428.416 5.114 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 1872770289 OZGYHDOZYDJVFD-QGZVFWFLSA-N 441.896 5.651 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@@H](C#N)C(=O)COc2cccc(C)c2C)n1 1872788440 IHQZPHKLUGUONC-KRWDZBQOSA-N 426.925 5.344 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@@H](C#N)C(=O)c2cc3ccccc3oc2=O)n1 1872789006 WJBGCMMEZRACIN-INIZCTEOSA-N 436.876 5.069 30 10 IKEE CCCCCCCSc1nc2ccc(C(=O)N3CCC[C@H](C(=O)OCC)C3)cc2[nH]1 1872823828 SCWDOSPDOWXTEG-SFHVURJKSA-N 431.602 5.041 30 10 IKEE CCCCCCCCNC(=O)c1ccc(COc2ccc(-c3ccc(C)cc3)cc2)cc1 1872855843 AWZYMQXFLJHUMH-UHFFFAOYSA-N 429.604 7.331 30 10 IKEE N#Cc1nc(-c2ccccc2)oc1N/N=C/c1cccc(OCc2ccccc2Cl)c1 1873470582 LPJGOXDMNXTCMU-JFLMPSFJSA-N 428.879 5.892 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc3c[nH]nc3c1)n2CCC 1873619617 JDDMGWWMGCLAOF-UHFFFAOYSA-N 447.587 5.742 30 10 IKEE CCOc1ccc(/C=N/n2c(Cc3ccc(Br)cc3)nnc2SCC)cc1 1874207201 DZNDEWDRKSCLIH-HYARGMPZSA-N 445.386 5.024 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1cccc2ccccc12 1874283069 NRCVRNXTCKDBSV-JVWAILMASA-N 447.007 6.420 30 10 IKEE CCCCC1CCC(c2nnc(SCCc3ccccc3)n2/N=C/c2ccccc2)CC1 1874287731 UGENRJAOSDGRLE-SGWCAAJKSA-N 446.664 6.959 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2)n1/N=C/c1c(Cl)cccc1Cl 1874317967 URNRKPDMZSDZMQ-BUVRLJJBSA-N 447.391 5.757 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2/N=C/c2ccccn2)c1 1874356868 CXMURPWYAUKKGN-JVWAILMASA-N 427.577 5.364 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3cccs3)n2/N=C/c2ccc(O)cc2)c1 1874371020 DKZLJXZAFLMAOY-MFKUBSTISA-N 448.617 5.622 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2/N=C/c2cccc(O)c2)cc1 1874390640 XKJOBURHKCVEAS-CVKSISIWSA-N 448.979 5.711 30 10 IKEE Fc1cccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccccc2Cl)c1 1874408321 QIUZBCLKSKJKNX-CVKSISIWSA-N 442.991 6.368 30 10 IKEE CCCN(CCC)C(=O)CSc1nnc(CC2CCCCC2)n1/N=C/c1ccccc1 1874408873 ULZDNKSNPPEQDV-XIEYBQDHSA-N 441.645 5.024 30 10 IKEE CCc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccc(C)cc2)cc1 1874415490 SGWQBHYNEFXXSX-OVVQPSECSA-N 426.589 5.914 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccccc3C)nnc2-c2ccccc2)c(OC)c1 1874426243 YARLPCWAFXWJLU-WGOQTCKBSA-N 444.560 5.445 30 10 IKEE CCCN(CCC)C(=O)CSc1nnc(C2CCCC2)n1/N=C/c1ccc(Cl)cc1 1874456245 IWKPQVNHSNIXRI-BUVRLJJBSA-N 448.036 5.212 30 10 IKEE Cn1cc(/C=N/n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C(C)(C)C)c2ccccc21 1874482406 CQGMBKAWMZDRBK-ZMOGYAJESA-N 448.552 5.150 30 10 IKEE COc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2ccc(Cl)cc2)cc1OC 1874491207 FJYACIBUCNZVOI-ZMOGYAJESA-N 444.988 5.322 30 10 IKEE CCCCOc1ccc(/C=N/n2c(C)nnc2SCc2cccc(Cl)c2)cc1OC 1874535505 KKNDZKNREKMLLZ-ZVHZXABRSA-N 444.988 5.602 30 10 IKEE Cc1ccccc1COc1ccc(/C=N/n2c(S)nnc2COCc2ccccc2)cc1 1874562891 XVTJGXQGWPWAJV-CVKSISIWSA-N 444.560 5.053 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2nccs2)cc1 1874572585 VOFKZNVOHDTOOL-VQHVLOKHSA-N 426.925 5.273 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c1OCc1cccc(C)c1 1874575551 SXOHLUJXUFGWLN-DHZHZOJOSA-N 437.879 6.040 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1cc(Cl)ccc1OCc1cccc(F)c1 1874588817 GKLBJLQHGWWKJK-SOFGYWHQSA-N 445.317 6.925 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1OCc1ccc(Cl)cc1 1874596871 HEYNTURKPMRSPC-RUDMXATFSA-N 436.891 5.595 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc1OCc1ccc(F)cc1 1874600949 LCVJATUGGBDDSM-BJMVGYQFSA-N 426.871 5.971 30 10 IKEE CCCOC(=O)COc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)ccc1OC 1874600952 LEQLDUWBEVUPEO-FMIVXFBMSA-N 434.488 5.085 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3C)c(Cl)c2)cc1 1874604378 JKLBFZYCPOWMDQ-GXDHUFHOSA-N 433.935 6.124 30 10 IKEE CCN(CC)C(=O)COc1c(Cl)cc(/C=C/C(=O)c2cc(C)ccc2C)cc1OC 1874617941 AZOQCWBKEPEDCW-ZHACJKMWSA-N 429.944 5.109 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc(Cl)c1OCCCO 1874624443 DJEJQZJTQBPEQV-CSKARUKUSA-N 446.971 5.702 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1Cl 1874636018 FTOLIXYCPCCNAW-RUDMXATFSA-N 447.745 7.131 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cccc(OC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)c1 1874698857 QVMYUKUTPHYMRA-KMWGMXNCSA-N 432.903 5.954 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cccc(OC(=O)Cc3cc(Cl)ccc3Cl)c2)c1 1874703537 USLIHFSJHVXVLZ-DHZHZOJOSA-N 439.338 6.654 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1C 1875107592 YFDBBPPLAOTIMH-XCVCLJGOSA-N 441.310 6.426 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCSC)c(OC)c2)cc1 1875107648 BQPWXWJCERVRPS-RVDMUPIBSA-N 426.578 5.983 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccccc3)c(Cl)c2)cc1C 1875108592 WHSYDHKXHIJROW-DHZHZOJOSA-N 436.891 5.538 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC(=O)c1ccccc1 1875116190 PCHNCLQQQPDBFL-XNTDXEJSSA-N 443.455 5.447 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)c1ccc(C)cc1 1875122208 IAWNCFOQRIAQTC-MDWZMJQESA-N 448.465 6.126 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2[N+](=O)[O-])cc1 1875134878 PAXCZPCAMNLIOL-MDWZMJQESA-N 429.472 5.889 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)Cc1cc(C)ccc1C 1875140562 MPZACGFFWIUOIS-ACCUITESSA-N 442.555 6.363 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c1 1875145349 HQDKUXZOBHENCU-KPKJPENVSA-N 447.443 5.036 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1[N+](=O)[O-] 1875169505 UKQKUVKNLKFLGB-ZRDIBKRKSA-N 443.499 6.252 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)c(C)c3)cc2)c(OC)c1OC 1875193906 GASBYKAAZLHPGS-NTEUORMPSA-N 446.499 5.445 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@H](C#N)[C@@]1(C)CCCN1C(=O)OC(C)(C)C 1880102090 PVURBNMGOFKVIL-NTKDMRAZSA-N 429.561 5.105 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCCC)c2ccc(F)cc2Br)C1 1898131441 HKMLXZPTKOPMSZ-QGZVFWFLSA-N 427.358 5.242 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](O)c1c(Cl)ccc(Cl)c1Cl 1922074591 OPTAOKJMGUWEKO-LEWJYISDSA-N 428.787 5.821 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CCCC1(C)C 1922115496 HXJBQFPJOFHXAI-ATIYNZHBSA-N 430.633 5.601 30 10 IKEE C=C([C@H](NCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1)[Si](C)(C)C 1922972185 XPKQUSHQPZVQEJ-KRWDZBQOSA-N 427.459 5.880 30 10 IKEE CC1(C)CC[C@@](C#N)(Nc2ccc(Br)cc2)[C@@H](CNC(=O)OC(C)(C)C)C1 1927168106 ZETHJIGXFJIUCG-VFNWGFHPSA-N 436.394 5.474 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)C1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1953246733 QDTSWHMHZZSGNH-RTBURBONSA-N 443.588 5.209 30 10 IKEE C#CCN(C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)CC)C(C)(C)C 1984778220 DAUHQRLJDYDRCV-KBMIEXCESA-N 446.591 5.200 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)C1 1993189311 WSSSEKYOXVRZDD-QAPCUYQASA-N 435.952 5.231 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@](C#N)(N(C(=O)OC(C)(C)C)C3CCCCC3)CC[C@H]21 2027455719 CXDXNRQMWRHHJK-BSWQBHCVSA-N 447.620 5.628 30 10 IKEE CC[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(OC)c2)CN1Cc1ccccc1 2029749948 HXBBJKVLPIPIBW-LVXARBLLSA-N 435.568 5.384 30 10 IKEE CC1(C)CC[C@](C#N)(N(C[C@H]2CCCO2)C(=O)OC(C)(C)C)[C@H](OCc2ccccc2)C1 2043782067 ZSKOJJZQNZIKMY-XLGIIRLISA-N 442.600 5.460 30 10 IKEE C=CCCCC[C@H](NCCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2059117543 HESUKZIHGPOJFZ-RPLLCQBOSA-N 444.660 5.945 30 10 IKEE CCc1nn([C@@H](c2ccc(C(F)(F)F)cc2F)C(C)(C)C)c(Br)c1C#N 2079881547 VTEKGQDXOKBSMI-HNNXBMFYSA-N 432.259 5.873 30 10 IKEE CCc1nn([C@H](c2ccc(C(F)(F)F)c(F)c2)C2CCC2)c(Br)c1C=NO 2079969669 HGHFJIKYSFTSAY-INIZCTEOSA-N 448.258 5.564 30 10 IKEE CC(C)c1cc(C(F)(F)F)ccc1-n1nc(C2CCOCC2)c(C#N)c1Br 2080343258 KFXIVJZRCVCTEO-UHFFFAOYSA-N 442.279 5.543 30 10 IKEE C=CCCN(Cc1ccccc1)C(=O)c1sc2cc(Br)cc(F)c2c1N 2129173634 QGAPLOIQPUWCNX-UHFFFAOYSA-N 433.346 5.604 30 10 IKEE C=C([C@@H](NCCC)c1ccc(Br)cc1I)C(F)(F)F 2142282590 GHRWUGOWVQDDGM-GFCCVEGCSA-N 448.064 5.213 30 10 IKEE C[C@H](Nc1cc(Br)cc(F)c1C#N)c1ccc(NC(=O)OC(C)(C)C)cc1 2163707116 ICSQPMTYVYVHAH-LBPRGKRZSA-N 434.309 5.980 30 10 IKEE C[C@H]1Cc2ccccc2[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2185486211 OUFIGEBYHASXIZ-OYHNWAKOSA-N 427.342 5.802 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(C)c(Br)c(C)c1 2235605871 AAOLIQWBNXMGRX-UYAOXDASSA-N 437.422 5.413 30 10 IKEE CCC[C@@H](CCNC(=O)OC(C)(C)C)CC[C@@H](N)C#Cc1ccccc1Br 2235746060 HQSCREFGISSSGJ-IEBWSBKVSA-N 437.422 5.239 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1sc(Br)c(C)c1C 2254702519 VVTGVBLNDLDJJF-HUUCEWRRSA-N 429.424 5.085 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCCN(C(=O)OC(C)(C)C)CC2)c1 2259676193 RQVNTTDJAKOYPB-VWLOTQADSA-N 443.588 5.810 30 10 IKEE C=CCCC1([C@H](NCCC)c2sccc2Br)CN(C(=O)OC(C)(C)C)C1 2266307431 HZHJHPOZHZBRSN-QGZVFWFLSA-N 443.451 5.755 30 10 IKEE C=CC[C@]1(COc2ccc(Br)c(C)n2)CCCN(C(=O)OC(C)(C)C)C1 2272230223 TVLDFXYWKGMEIS-FQEVSTJZSA-N 425.367 5.125 30 10 IKEE CN[C@H](C#Cc1cccc(Br)c1)c1ccc(N(C)C(=O)OC(C)(C)C)cc1 2296274666 VJJBPTDCVFISDW-HXUWFJFHSA-N 429.358 5.133 30 10 IKEE CCC1CCC(NC(=O)OC(C)(C)C)([C@H](O)C#Cc2ccc(Br)cc2)CC1 2296288241 DSZPHWWXPQPYGR-COFLGROHSA-N 436.390 5.025 30 10 IKEE Cc1ccc([C@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 2296925467 HJUJNWSQBWVYSQ-QFIPXVFZSA-N 440.524 5.539 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2308986531 PKJSPCOKTGOPMV-DQRNBUCVSA-N 445.535 5.153 30 10 IKEE CCOc1cc(C=C2SC(=Nc3ccc(F)cc3)NC2=O)ccc1OCc1ccccc1 2313557346 AVCMBYDKQMLUGP-UHFFFAOYSA-N 448.519 5.695 30 10 IKEE CCN1C(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=Nc1cccc(C)n1 2314540130 JOXPRCMAEHQNSO-UHFFFAOYSA-N 434.477 5.182 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccco1)O3)CN(CCc1c[nH]c3ccccc13)CO2 2321911396 ZDKDGDJQDMQLKN-UHFFFAOYSA-N 426.472 5.080 30 10 IKEE COc1ccc([C@@H](C)N2COc3ccc4c(c3C2)OC(=Cc2ccc(F)cc2)C4=O)cc1 2322238740 CJXAPEMKQFCYDX-MRXNPFEDSA-N 431.463 5.364 30 10 IKEE C=C(C)COc1ccc(Cl)cc1C=CC(=O)c1ccc(OCCC)c(OCCC)c1 2322502936 OTSUSBFPSZSDRV-UHFFFAOYSA-N 428.956 6.769 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCc2ccccc2F)cc1 2322557010 DUBBKEFSEWTTMR-UHFFFAOYSA-N 440.898 6.362 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 2322585870 RCXADCUIAWFULC-UHFFFAOYSA-N 435.709 7.261 30 10 IKEE CCc1ccccc1NC(=O)COc1ccccc1C=CC(=O)c1ccc(C(C)(C)C)cc1 2322681275 OEWZRGPOVHOCOA-UHFFFAOYSA-N 441.571 6.460 30 10 IKEE Cc1c(OC(=O)C=Cc2ccco2)ccc2c1OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2323168706 UXMIJZAIMWKTQA-UHFFFAOYSA-N 428.484 6.121 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2cccc(OCc3ccc(F)cc3)c2)cc1Cl 2323310138 PVUGZJNJGJTMPP-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE Cc1ccc(C)c(COc2ccc(C=CC(=O)c3ccc4c(c3)CCCC4)cc2[N+](=O)[O-])c1 2323423056 AXGMVJZMASPRBB-UHFFFAOYSA-N 441.527 6.566 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OC(=O)c3ccc4nc(C)c(C)nc4c3)ccc2C1=O 2323555126 VTPJQUXMZDMXDU-UHFFFAOYSA-N 442.496 5.452 30 10 IKEE CCCCCOc1ccc(C=Nn2c(Cc3ccccc3)nnc2SC)cc1OCC 2323581532 QYYBDKKQHWZGAT-UHFFFAOYSA-N 438.597 5.441 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4cc(Cl)ccc4Cl)cc(C)c3C2=O)o1 2323585279 YCJAYHNXMXLDDY-UHFFFAOYSA-N 429.255 6.039 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)c(OC)c1 2323767781 ULWZEDFABMQCDO-UHFFFAOYSA-N 444.483 5.663 30 10 IKEE Cc1ccc(COc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2Br)cc1 2323858375 ORTZQKJAWLXATJ-UHFFFAOYSA-N 435.361 6.849 30 10 IKEE CCCOc1c(OC)cc(C=NNc2nc(-c3cccs3)c(C)s2)cc1[N+](=O)[O-] 2323864680 GZJXQJRNKORPRH-UHFFFAOYSA-N 432.527 5.332 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1OCCc1ccccc1 2323907820 ACDUEEXGEJXNEQ-UHFFFAOYSA-N 431.488 5.820 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1OCc1ccccc1F 2324193010 DJXNZVCJNTZOPE-UHFFFAOYSA-N 439.414 5.747 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)c(C)c1 2324494069 NWVRVHGMFYSNTD-KRWDZBQOSA-N 447.918 5.979 30 10 IKEE Cc1ccccc1C=C1Oc2cc(O[C@H](C)C(=O)Nc3cccc(C)c3C)ccc2C1=O 2324498693 BWUUFKDTDCCFOF-LJQANCHMSA-N 427.500 5.634 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1ccccc1)C2=O 2324514694 BWJYUUKZDJVGDT-QGZVFWFLSA-N 447.918 5.979 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)C=Cc2ccc(C(C)C)cc2)n1 2324794817 PHQSOXWKDXJTQB-DEOSSOPVSA-N 442.628 7.429 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccccc2Cl)cc1 2325437864 ZSMQKMIDNUNQLI-UHFFFAOYSA-N 447.007 6.200 30 10 IKEE Oc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccc(Cl)cc2)cc1 2325493248 XZPVOJJOLYOLOO-UHFFFAOYSA-N 434.952 5.402 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(C(C)(C)C)cc1 2325535342 SQSKLCMGXSEKNV-UHFFFAOYSA-N 441.044 6.746 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC(=O)CCCOc3c(C)cccc3C)c2)cc1 2325705695 NNPMIQXFWGKYBI-UHFFFAOYSA-N 442.555 6.527 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC(=O)C3(c4ccc5c(c4)OCO5)CC3)c2)cc1 2325706229 WAIMQZAIZCGEJZ-UHFFFAOYSA-N 440.495 5.511 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2OC)cc1OC(=O)COc1cccc(C)c1C 2325723043 VNPQUPBWMIAICA-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(Cl)c(Cl)c2)c1)c1ccc(Cl)cc1 2325730202 PLQLFERQLATEHH-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OC(=O)Cc1ccc(F)c(C)c1 2325735247 WGNPNGDZRVNESD-UHFFFAOYSA-N 432.491 5.804 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccc(Cl)cc1)C2=O 2325737570 OWFAFKODYAQFKM-UHFFFAOYSA-N 447.918 5.845 30 10 IKEE CCCCCCOc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(C)cc3)c2)cc1 2325738374 BOEHFANOSNCMOK-UHFFFAOYSA-N 442.555 7.069 30 10 IKEE Cc1ccc2oc(=O)cc(COc3ccc4c(c3C)OC(=Cc3ccccc3F)C4=O)c2c1 2325741614 HIRKCRZHRGREID-UHFFFAOYSA-N 442.442 5.744 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)OCO4)c2)cc1 2325747472 IMGSKKMEACGBIS-UHFFFAOYSA-N 444.483 5.384 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1ccc(O)c(OCC)c1 2326458308 RJHIJJZOBSWEEH-UHFFFAOYSA-N 438.597 5.516 30 10 IKEE CCOc1ccccc1OCc1nnc(SC)n1N=Cc1ccc(Cl)c(Cl)c1 2326795718 CJZWDUXIXNSNIT-UHFFFAOYSA-N 437.352 5.167 30 10 IKEE CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1cccc2ccccc12 2326906517 KGXNMMZANQCFOM-UHFFFAOYSA-N 430.621 6.184 30 10 IKEE Cc1cccc(OCCCc2nnc(SCc3cccc(F)c3)n2N=Cc2ccc[nH]2)c1 2326985302 TWTJUCNMAZPUCD-UHFFFAOYSA-N 449.555 5.240 30 10 IKEE Clc1ccccc1OCc1nnc(SCCc2ccccc2)n1N=Cc1cccnc1 2327658670 IJKAVYSYONWCEJ-UHFFFAOYSA-N 449.967 5.123 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2)n1N=Cc1c(OC)ccc2ccccc12 2329918722 DAWQYLARFRFFDA-UHFFFAOYSA-N 444.560 5.569 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2ccccc2)nnc1-c1ccccc1 2330671414 NCRQKMTWHVWLKP-UHFFFAOYSA-N 428.561 5.908 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(CC)cc3)cc2[N+](=O)[O-])cc1 2330748407 LRUXVDQRDQCRAP-UHFFFAOYSA-N 445.471 5.671 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1 2330805279 FXMKDBOVTQMCQC-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE COc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2c(F)cccc2Cl)cc1 2330881230 YWSWXWCOSSSFRM-UHFFFAOYSA-N 446.979 5.842 30 10 IKEE CC(C)(C)Cc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccccc1O 2330881256 FMAPWNCHXKXPHR-UHFFFAOYSA-N 432.952 5.539 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)CC3CCCCC3)c(OC)c2)cc1 2330953432 WDNOBGAYBDMQSP-UHFFFAOYSA-N 438.520 5.484 30 10 IKEE Brc1cccc(C=Nn2c(SCc3ccccc3)nnc2[C@@H]2CCCO2)c1 2330955052 SXIQEAOYDAZQRA-SFHVURJKSA-N 443.370 5.067 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1cccc(C)c1 2331039498 JAWQACSKKRAFNN-UHFFFAOYSA-N 431.444 5.417 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)c1cncc(C)c1 2331116018 WUTUOJXXYGXXNG-UHFFFAOYSA-N 442.298 5.821 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)Cc1ccc(OC)cc1OC 2331179113 CPXRQRRHUKMOOG-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccco3)n2N=Cc2cccc([N+](=O)[O-])c2)c1 2331208255 CKLCEMZFHXRRDQ-UHFFFAOYSA-N 433.493 5.238 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2331331139 UQVVUALMNYMBLD-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(OCC(C)C)cc2)cc1 2331352044 YTRMUUPFVXENSA-UHFFFAOYSA-N 444.527 6.154 30 10 IKEE CCCSc1nnc(CCC)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2331657662 PEROMRGTABXLDW-UHFFFAOYSA-N 428.989 5.847 30 10 IKEE CCSc1nnc(C(C)C)n1N=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2331691737 FNEUJTOILVPHFZ-UHFFFAOYSA-N 449.407 6.282 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc1Cl 2331743521 ISYMVBURIKSTJG-UHFFFAOYSA-N 449.374 7.082 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2ccc(OC(=O)CCCSC)cc2)cc1Cl 2331809679 DSQIIWFDLKVZJR-UHFFFAOYSA-N 439.360 5.947 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Br)cc(OC2CC2)c1 2362709908 RMWHEGQLAUTVLD-RBUKOAKNSA-N 439.394 5.110 30 10 IKEE CCCN[C@@H](C#Cc1cccs1)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2363551405 PEGUZBWXPKNCML-IBGZPJMESA-N 449.414 5.950 30 10 IKEE CC1(C)OB(C=Cc2ccc(N[C@@H]3C[C@@H]4C[C@@H](OCc5ccccc5)C[C@H]43)nc2)OC1(C)C 2365054665 XFXYPNYSXUYUEV-OLKYXYMISA-N 446.400 5.522 30 10 IKEE CC1(C)OB(/C=C/c2ccc(NC[C@]34CC[C@@H]3CN(Cc3ccccc3)C4)nc2)OC1(C)C 2365062575 MCDDVWCYQLZDDY-JNAMYHEFSA-N 445.416 5.050 30 10 IKEE COc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(Cl)c(Cl)c2)C3)c(OC)c1 20882804 MMJDZMSTIUXNHY-XJKSGUPXSA-N 446.330 5.015 30 10 IKEE Cc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccc(OC(C)C)cc1)C2 21257543 XUTWATVLAMQPGZ-ONOMSOESSA-N 438.571 6.762 30 10 IKEE Cc1ccc(/C=C2/C(=O)c3c(Oc4ccc(Cl)cc4)cccc3[C@@H]2c2ccccc2)cc1 33371954 ALEFMTZWRAUYNF-XKGHIZKOSA-N 436.938 7.853 30 10 IKEE O=C(/C=C/c1ccccc1)Oc1cccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c1 34954135 FDBCHIAXIKDIOM-OZNQKUEASA-N 430.503 6.869 30 10 IKEE C=C(C)C(=O)NCCCc1nc2ccccc2n1CCCOc1cc(C)ccc1C(C)C 35144977 PZLRYBCYSQKXBC-UHFFFAOYSA-N 433.596 5.562 30 10 IKEE COc1cccc(/C=C2\S/C(=N/c3nc(C)cs3)N(C3CCCCC3)C2=O)c1OC 39865568 VXAGDQCCAJBGDK-FRYIGISESA-N 443.594 5.405 30 10 IKEE C=CCc1ccc(OCCCCn2c(CNC(=O)C(C)(C)C)nc3ccccc32)c(OC)c1 40190328 ACIJJQINLULLAK-UHFFFAOYSA-N 449.595 5.295 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2OC)cc1 100153963 CNIPBYQSHGNMMT-UHFFFAOYSA-N 445.541 5.079 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1 100154663 VIQJAYMRCBZMRP-JOCHJYFZSA-N 434.621 6.960 30 10 IKEE CCCCCCCOc1ccc(NC(=S)NC(=O)c2ccc(OCCCC)cc2)cc1 100155633 RTXAGNPBOIXRAA-UHFFFAOYSA-N 442.625 6.342 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(-c3c(Cl)cccc3Cl)o2)S/C1=N/c1cccnc1 101124919 ASUBCVXITAFUDS-GXBBLNCVSA-N 444.343 6.272 30 10 IKEE CN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)S/C1=N/c1nccs1 101127936 OCGNTOJWHUNHPN-FKHPOCDDSA-N 441.965 5.609 30 10 IKEE CCCCCCCCCCCCN1C(=O)[C@@](O)(CC(C)=O)c2ccc(Cl)c(Cl)c21 101321781 KPRGGPQHGFFMMO-HSZRJFAPSA-N 442.427 6.428 30 10 IKEE O=C1[C@@H](Cc2cc(Cl)ccc2Cl)S/C(=N/c2ccccc2)N1c1ccccc1 102958259 ZJLGJHFZDDYDPB-YQTDWGFQSA-N 427.356 6.372 30 10 IKEE CCCCCCCCCCCCCCC(=O)Nc1ccc(-c2nc3cc(C)ccc3o2)cc1 105259119 OYZCXFAUQBEUMA-UHFFFAOYSA-N 448.651 8.833 30 10 IKEE CCOc1cc(/C=N\n2c(S)nnc2-c2ccccc2)ccc1OCc1ccccc1F 169911885 IHVNKYGMCZFVRD-YSMPRRRNSA-N 448.523 5.233 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccc(OC)c2)cc1 169934799 CWOYXQMGNFKQBU-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccc(Cl)cc2)c1 169969953 OGEXJPIDGAINGZ-IBGZPJMESA-N 438.936 5.505 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc(OC(C)C)c1 169981129 SWFPMDHBRFBPFI-HSZRJFAPSA-N 437.536 5.251 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2cccs2)cc1 169985001 DVMUKGREUSRXBZ-JOCHJYFZSA-N 433.529 5.547 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccncc2)cc1 170016505 RLRJMQTTWYBICR-XMMPIXPASA-N 438.483 5.734 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccccc1 170052170 KFYRMKLAYIGNQR-QHCPKHFHSA-N 442.902 5.913 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2nc3ccccc3[nH]2)o1 170103253 XQTIUWOLBZUQHX-QHCPKHFHSA-N 449.466 5.400 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@@H]1c1ccccc1OC 170124896 VGNSISTXWDVINM-NRFANRHFSA-N 443.927 5.126 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@@H]1c1ccccc1OC(C)C 170151435 ORDDTFJRJJENDC-QHCPKHFHSA-N 437.536 5.088 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2cccs2)cc1 170157659 RTBCKTXBWXRSHT-QHCPKHFHSA-N 445.540 5.418 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2cccnc2)c1 170190283 UVQNDRQMHHASQU-DEOSSOPVSA-N 442.515 5.270 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccncc2)ccc1Cl 170202147 RHRVEPVSFWSWNY-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccncc2)cc1 170209411 NZAJGGFYMGNAPN-DEOSSOPVSA-N 448.563 5.562 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@H]1c1ccccc1 170228310 FSJQBNFTUCXVMC-QFIPXVFZSA-N 444.874 5.003 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1 170233698 VBYWPPSLODXCKS-DEOSSOPVSA-N 429.516 5.233 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(C(C)C)cc2)cc1C 170246367 DNIIKOOKHHAFAV-VWLOTQADSA-N 447.575 5.956 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2c[nH]c3ccccc23)cc1C 170256562 FTSLIXUBMVINPF-QHCPKHFHSA-N 430.504 5.006 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cc(C)c(OC)cc3C)=C(O)C(=O)N2Cc2ccco2)cc1 170266447 XAQHLBKMAYFZTB-DEOSSOPVSA-N 445.515 5.246 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1c1cccc(F)c1 170270818 JMGWWLWFVSMIRD-QHCPKHFHSA-N 427.431 5.663 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)c(OC)cc3C)[C@@H]2c2ccco2)cc1 170283467 YLSAMDMWSLKAHQ-QHCPKHFHSA-N 431.488 5.250 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@@H]1c1ccc(C)o1 170302498 JSFRKYQVRDSDKM-HSZRJFAPSA-N 431.488 5.305 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(Cl)cc(Cl)c2)[C@H]1c1ccc(F)cc1)c1ccco1 170377217 WSBLCZBLAAMTPN-SFHVURJKSA-N 432.234 5.508 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(NC(C)=O)cc2)cc1 170392933 FHCFPEACIQFKEF-QFIPXVFZSA-N 446.528 5.052 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1cccc(C(F)(F)F)c1 170399191 RRLUMNQQLWAMBH-NRFANRHFSA-N 437.417 5.797 30 10 IKEE Cc1cc2sc(N3C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]3c3cccs3)nc2cc1Cl 170478532 UBOPMPLWZWBKJP-INIZCTEOSA-N 446.981 5.835 30 10 IKEE Cc1nn(-c2ccccc2)c(Cl)c1/C=N/N=C(C(=O)c1ccccc1)c1ccccc1 245264314 CRNWIYMYGTZZOE-MMLVETEKSA-N 426.907 5.540 30 10 IKEE COc1ccc(CN2Cc3cc4cccc(C)c4nc3SC2=Nc2ccc(F)cc2)cc1 254490615 ZHUIRRQUMWAKPK-UHFFFAOYSA-N 443.547 6.487 30 10 IKEE Cc1cccc(N=C2Sc3nc4c(C)c(C)ccc4cc3CN2CCN2CCOCC2)c1 254751482 FRJAILGXXXSCHA-UHFFFAOYSA-N 446.620 5.088 30 10 IKEE aggregator COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CSc1cccc(Br)c1 312144829 AAYKMUYCEXQVRM-UHFFFAOYSA-N 435.192 5.049 30 10 IKEE CCOc1ccc([C@@H]2C(c3cccc(OCC)c3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526514061 BAOYDZBGMCYBDO-RUZDIDTESA-N 440.499 5.413 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccc(O)cc2)cc1 526805717 QPXGSONLHMUCCF-ONUIUJJFSA-N 428.561 5.252 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccc(C(C)C)cc1 526816618 FVCJOWRUWPTXOA-MYYYXRDXSA-N 427.017 6.572 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccc(OC(C)C)cc1 526821408 RFMLGIPDVBVSEQ-QQXSKIMKSA-N 430.577 5.955 30 10 IKEE Cc1cccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 586241927 UTFWJEFIIJNFRC-UHFFFAOYSA-N 431.344 5.569 30 10 IKEE CC(=O)ON=C1C=C2CC[C@@H]3[C@@H]4C[C@H]5CCCC[C@@]5(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 607747289 LQJAXDXIQDWPOB-MGEHJJQHSA-N 425.613 6.244 30 10 IKEE C=CCCC[C@@H](NCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 708552111 TWTFJLPSKGTKJS-RTBURBONSA-N 425.411 5.219 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@](C)(C#N)c1ccc(Br)cc1F 710807422 CKYVEBWZIYGACK-NRFANRHFSA-N 439.369 6.287 30 10 IKEE CC(/C=C\c1ccccc1)=NNc1nc(SCC(=O)C2C3CC4CC(C3)CC2C4)n[nH]1 1084088340 MVEUJKLXLMNUSZ-CYWYTAHOSA-N 435.597 5.039 30 10 IKEE CCCC(C)=NNc1nc(SCC(=O)N2c3ccccc3Sc3ccccc32)n[nH]1 1084131239 JIFMYXQYZOABGS-UHFFFAOYSA-N 438.582 5.314 30 10 IKEE CN1C(=O)C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)SC1=Nc1cccc(Cl)c1 1084308533 HYSJYZDKYVRAEN-OAHLLOKOSA-N 442.755 5.237 30 10 IKEE O=[N+]([O-])c1cccc(N=Cc2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1 1084523192 WSMPZBDPPXRVMP-UHFFFAOYSA-N 437.702 6.506 30 10 IKEE Oc1ccc(N/C(=N/Cc2cc(Br)ccc2F)NC2CCCCCC2)cc1 1088684403 UCLXGXXTVQJDSA-UHFFFAOYSA-N 434.353 5.574 30 10 IKEE O=C(Nc1ccccc1)c1c(N=Cc2ccccc2OC(F)F)sc2c1CCCC2 1565518767 BKKRLVHCZBNMPL-UHFFFAOYSA-N 426.488 6.231 30 10 IKEE O=C(Nc1ccc(OC(F)(F)F)cc1)ONC(=Nc1ccccc1)c1cccc(F)c1 1615949366 MFMZWTNYXGZYBJ-UHFFFAOYSA-N 433.361 5.556 30 10 IKEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCc2c(ccnc2O)C1 1740845716 ZBIPNGRHXYLUHA-UHFFFAOYSA-N 441.938 5.003 30 10 IKEE CCN1C(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)SC1=Nc1ccccn1 1772731856 REODKIAFDVOADB-QGNOBFDASA-N 449.963 5.938 30 10 IKEE Cc1cccc(N=C2S/C(=C/c3c(Cl)cccc3Cl)C(=O)N2C2CCCCC2)n1 1772736632 MDGHMVKUSSSMFN-ADKREUBMSA-N 446.403 6.634 30 10 IKEE O=C1NC(=NN=Cc2ccc(-c3ccc(Cl)cc3)o2)S[C@H]1Cc1cccc(Cl)c1 1772742406 QAWBLHZSKNCKKT-IBGZPJMESA-N 444.343 5.418 30 10 IKEE CCCCOc1ccc(C=NNc2nnc3c4ccccc4n(CCC)c3n2)cc1OCC 1772765311 KGZJKEBZQRZTLH-UHFFFAOYSA-N 446.555 5.413 30 10 IKEE Cc1cc(C)cc(NC(=S)N/N=C\c2cn(-c3ccc(F)cc3)nc2-c2ccccc2)c1 1857809258 SSGPRMPMNRCNBM-DICXZTSXSA-N 443.551 5.616 30 10 IKEE COc1cc(/C=N/NC(=S)NC2CCCCCCC2)ccc1OCc1ccccc1 1860499849 YECDDSZCECJJKV-KOEQRZSOSA-N 425.598 5.185 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 1862396640 JUIXOYNIKVBBEG-DEOSSOPVSA-N 431.576 6.067 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(F)cc1F)c1ccc(F)cc1F 1862416733 JVOJCDXIXYVVFK-OAQYLSRUSA-N 441.380 5.022 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCC(C)C)c1 1862437466 RMOOLHZRSAGUEE-JOCHJYFZSA-N 441.955 5.753 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1cccc2ccccc12 1862461028 VVXLZKCOVBEYDU-NRFANRHFSA-N 425.406 5.245 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1cccc(Cl)c1 1862464496 YYWQOVDUEFXGID-IBGZPJMESA-N 437.845 5.526 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc(Cl)c2)cc1 1862476815 OYACIGMUPFBQSY-DEOSSOPVSA-N 445.946 5.778 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccc(C)cc2)cc1 1862489268 TWGUUYTXGBTEKR-RUZDIDTESA-N 441.527 5.399 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(Cl)c(Cl)c2)c1 1862498682 NTOAXVIYUFZPSP-NRFANRHFSA-N 444.358 6.131 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@@H]2c2ccccc2F)cc1 1862528954 AKVPNOOXNKVZIS-RUZDIDTESA-N 443.518 5.518 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2ccccc2C)cc1 1862534542 VMUOWQJANALKNU-SANMLTNESA-N 439.555 5.769 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862555476 FHTMGSRWVPDPDE-XDHUDOTRSA-N 426.516 5.171 30 10 IKEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CC(C)C)cc1 1862619907 GHWUQLCCBSLLOE-QFIPXVFZSA-N 449.547 5.005 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(O)c(O)c1 1862662820 LPLOGZMCAQZBJD-HSZRJFAPSA-N 437.536 5.380 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 1862667962 NLKUMOMDHAJBIZ-SPLOXXLWSA-N 446.374 6.494 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc(O)c1 1862673334 CQCFBHHCMBAHCN-JOCHJYFZSA-N 425.500 5.470 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(F)cc1F 1862725394 IBKOMRILHXHPLO-HSZRJFAPSA-N 433.454 5.620 30 10 IKEE CCCCc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3cc(C)ccc3C)C2=O)cc1 1863022658 YZMFYUMWCPVIPA-UHFFFAOYSA-N 449.554 5.914 30 10 IKEE N#Cc1cccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(CCC3=CCCCC3)C2=O)c1 1863172905 CWOLWVRSBIAYPE-UHFFFAOYSA-N 431.923 5.294 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2OCCCC)=C(c2cc(Cl)ccc2Cl)C1=O 1863390737 QQSZKIJCXPLVJD-UHFFFAOYSA-N 445.346 5.550 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)cc2)=C(c2c[nH]c3ccccc23)C1=O 1863486724 GLGBRZKQMGSLLM-UHFFFAOYSA-N 433.527 5.860 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCCC)=C(c2ccc(F)cc2F)C1=O 1863657024 GVBHOEQUGVFGRJ-UHFFFAOYSA-N 434.571 5.965 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2cc(C)ccc2C)=C(c2ccc(OC)cc2)C1=O 1863671207 LJWCDRDUDJIUDC-UHFFFAOYSA-N 448.607 5.542 30 10 IKEE CCCCCCCCN1C(=O)C(NCCC(C)C)=C(c2cc(Cl)ccc2Cl)C1=O 1863730011 IRUQAQONZXUTOO-UHFFFAOYSA-N 439.427 6.070 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCOC(C)C)=C(c2cc(C)ccc2C)C1=O 1863740284 UFVJDWXYTTUFLE-UHFFFAOYSA-N 442.644 5.539 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2cccc(C)c2)=C(c2ccccc2OC)C1=O 1863764974 DQHUJULSUQAKKG-UHFFFAOYSA-N 434.580 5.234 30 10 IKEE CC(C)c1nc(Nc2cccc(C#N)c2)cc(N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)n1 1868221792 YHFDSULDPMFRBM-DEOSSOPVSA-N 439.607 6.854 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)c2ccccc2C(F)(F)F)n(-c2ccc(C)cc2)n1 1870001389 BVUGZBQOKVGQNZ-UHFFFAOYSA-N 441.457 5.025 30 10 IKEE C=CCn1cc(OCCCCCC)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870186559 MSOWATWMORBWJC-UHFFFAOYSA-N 425.598 5.478 30 10 IKEE CCCCCCCCn1cc(OCCCCCC)c(=O)cc1CN1C[C@H](C)O[C@@H](C)C1 1870676501 IYQNNRUEGFISDN-GOTSBHOMSA-N 434.665 5.777 30 10 IKEE C=CCn1cc(OCC(=O)OCCCCCC)c(=O)cc1CNc1cc(Cl)ccc1C 1870839901 DWTYANMDDBUFGT-UHFFFAOYSA-N 446.975 5.111 30 10 IKEE CCCCCCCCn1cc(OCC2CCCCC2)c(=O)cc1CNc1cccc(C)c1 1870912985 KYVGYAYNDVBAJR-UHFFFAOYSA-N 438.656 7.088 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc4c3CN(CCc3ccc(C)cc3)CO4)C2=O)cc1 1871348189 WUEZYOHXSLTRLQ-MYYYXRDXSA-N 427.500 5.014 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(ccc4c3CN([C@H]3CCCC[C@H]3C)CO4)C2=O)cc1 1871351050 IBLMHGMXZTYJSH-LCRDIZRHSA-N 446.591 5.880 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(CCC(C)C)C4)C2=O)cc1 1871359077 HTWJFBYWERXQQO-OYKKKHCWSA-N 434.580 5.655 30 10 IKEE CC(=O)Nc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)cc2)C3=O)c1 1871365405 WBMHRLLFUTWWGK-QRVIBDJDSA-N 427.456 5.097 30 10 IKEE COc1ccc(OC)c(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)o2)C3=O)c1 1871380229 DGILWUKGSYAHQX-VHQWTIAJSA-N 446.455 5.149 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(C)c(-c4ccc(OC)cc4)c(=O)oc3c2)cc1 1871389693 KLJXAZDYJLYWQW-UHFFFAOYSA-N 442.467 5.561 30 10 IKEE CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(C)c1)C2=O 1871402462 JBILWXKYOWYOHH-SDPDQUOZSA-N 443.499 5.416 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccccc2F)C3=O)cc1 1871410608 FTZBHYLEASOFOY-WMWHPZEKSA-N 445.490 5.719 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OCc4ccc(C#N)cc4)c3C)C2=O)c1OC 1871417797 QZGLKPCJWXGHMK-QRVIBDJDSA-N 427.456 5.079 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)N[C@@H](C)c4ccccc4)cc(C)c3C2=O)cc1 1871424204 BAMVSVZOCOFMPB-QCYAWUEASA-N 427.500 5.176 30 10 IKEE CCCCCCCCCOc1ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2c1 1871429421 GMDHCCFVLWDQMY-UHFFFAOYSA-N 432.482 7.608 30 10 IKEE CCCCCCCCCCN=c1nc(N(CC)CC)[nH]c(=Nc2cc(Cl)ccc2C)[nH]1 1871512878 NYDWYNLAAFRORT-UHFFFAOYSA-N 447.071 5.820 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(OCC)c(OC)c3)n2)cc1 1872768335 PWWURVHNTBEIPY-YLZBSDIZSA-N 448.544 5.506 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3cccc4ccccc34)n2)cc1 1872769985 FNLRPEXGZNNYSD-QHCPKHFHSA-N 426.541 6.171 30 10 IKEE CCCOc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(OCCC)cc3)cs2)cc1 1872770212 NGUPKSNMWPJVRO-JOCHJYFZSA-N 434.561 5.807 30 10 IKEE CCCCCCCOc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3OC)n2)cc1 1872777085 GCMDOMVPNAFORV-JOCHJYFZSA-N 448.588 6.658 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)COc2ccc(C)c(C)c2)n1 1872777869 YAQZIOAODZBLEX-NRFANRHFSA-N 448.588 5.988 30 10 IKEE N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)cc1 1872847827 ZSOLOQZBFSLLHQ-UHFFFAOYSA-N 430.813 6.062 30 10 IKEE C=CCN1C(=O)C(Nc2cc(Cl)c(Cl)cc2Cl)=C(c2ccc(F)c(C)c2)C1=O 1873401870 VIMPDPNSYUMHBE-UHFFFAOYSA-N 439.701 5.472 30 10 IKEE FC(F)(F)c1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1cccc2[nH]ccc12 1873500139 FWJNCXBKUGDULI-KIBLKLHPSA-N 435.862 5.606 30 10 IKEE C=CCN(CC=C)C(=O)c1ccc2[nH]c(-c3ccc(OCc4ccccc4C)cc3)nc2c1 1873504280 PATPNFLRDCHFMK-UHFFFAOYSA-N 437.543 5.932 30 10 IKEE CC(C)(C)n1ncc(N/N=C/c2ccccc2OCc2ccc(Cl)cc2)c(Cl)c1=O 1873526407 DCPQAMUMGJUXJS-BRJLIKDPSA-N 445.350 5.330 30 10 IKEE CCCCCCCCCCNc1ncnc2c1ccc(=O)n2-c1cc(Cl)ccc1C 1873541508 RWAKBVBONZQUJT-UHFFFAOYSA-N 426.992 6.295 30 10 IKEE C=CCn1c(C(=O)Nc2cc(C)cc(C)c2)cc2c(NCCc3ccccc3)ncnc21 1873607405 QILBFYFPQJYWHG-UHFFFAOYSA-N 425.536 5.141 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(C(C)C)cc1)n2Cc1ccccc1 1873612917 OVRFDLVTGKVVJR-UHFFFAOYSA-N 425.536 5.453 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(Cl)c2)cc2c(N(CCC)CCCC)ncnc21 1873659646 XRXVKUNRZSPMLG-UHFFFAOYSA-N 425.964 5.540 30 10 IKEE CCCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccccc1F 1874213947 MYFYPDRETDOULU-BUVRLJJBSA-N 432.952 5.467 30 10 IKEE Cc1ccccc1OCCCc1nnc(SCc2ccccc2)n1/N=C/c1cccnc1 1874249669 JXABHSYYYIGCRZ-OVVQPSECSA-N 443.576 5.168 30 10 IKEE Cc1ccc(C)c(OCc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccc[nH]2)c1C 1874253022 HNVYQEWEOAGHTH-UVHMKAGCSA-N 449.555 5.424 30 10 IKEE Cc1cccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2cccc(F)c2)c1C 1874323311 JAURXZJQNPIRGO-JFLMPSFJSA-N 446.551 5.788 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccccc3C)nnc2-c2cccs2)cc1O 1874421207 ZYJWOMJPXDNWDR-YDZHTSKRSA-N 436.562 5.204 30 10 IKEE Cn1cc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C(F)(F)F)c2ccccc21 1874462409 ROQCCQDQFJYKAJ-KIBLKLHPSA-N 449.889 5.617 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1cccc(C)c1 1874483365 RVOLGZJZTIMKQN-MFKUBSTISA-N 435.597 5.059 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C2CCC2)c(F)c1 1874498845 SIQVSGUFLKKXMT-KIBLKLHPSA-N 436.890 5.791 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Br)ccc2OCc2ccccc2)cc1 1874573535 SLMJLPFDNYQMAY-JQIJEIRASA-N 449.388 7.267 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(F)c(F)c2)c1OCc1ccccc1Cl 1874585156 OPMKRDUQVUEGTI-VQHVLOKHSA-N 449.280 6.755 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1ccc2ccccc2c1 1874603291 NBCXSHMLYKCYLN-NTUHNPAUSA-N 443.886 6.877 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Br)cc2)ccc1OCc1ccc(F)cc1 1874609057 VSKBEXDALFIZJG-UUILKARUSA-N 441.296 6.072 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OCC(=O)NC1CCCCC1 1874613315 NYCHDSVCLVUIMR-ACCUITESSA-N 441.955 5.463 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(OC)c(C)c3C)cc2)cc1 1874627973 GMUIWUNDAIPYFB-MHWRWJLKSA-N 443.543 5.788 30 10 IKEE C=CCOc1ccc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1Br 1874637373 WVYJEZDDZFZGDO-GQCTYLIASA-N 442.136 6.225 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OCc2ccccc2F)c([N+](=O)[O-])c1 1874639310 TXQLOYQJYDTOIO-RMKNXTFCSA-N 441.842 5.871 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cc(Cl)ccc3Cl)c2)cc1 1874697620 HLSTXSKGRXTKCO-LFYBBSHMSA-N 427.283 6.117 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(C)c(C)c3)c2)c1 1874704650 WGSZNDJTCXAHGW-YRNVUSSQSA-N 446.499 5.445 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OC(=O)CCc1ccccc1C 1874713900 TZZAZZYLHSFXNH-GXDHUFHOSA-N 428.528 6.055 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OC(=O)c1ccco1 1875087884 HFBAQNBKHKDKDL-CMDGGOBGSA-N 441.823 5.355 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)CC(C)C)c(Br)c2)c1 1875144272 ABIDRSXTUZKYHE-VMPITWQZSA-N 447.325 5.314 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccc2c(c1)OCCO2 1875147240 TYJMOIQDSZRVNP-XVNBXDOJSA-N 444.527 5.476 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(N(C)C)cc3)c(OC)c2)cc1F 1875153408 FRTLBEPPMZSVPU-LFYBBSHMSA-N 449.478 5.024 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)c1ccccc1 1875156003 GEOVTTFVAVFAIR-NTEUORMPSA-N 434.919 6.587 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccn3)cc2)cc1 1875159767 ZTKNRUTUWXILOC-XDHOZWIPSA-N 443.543 6.546 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3cccc4ccccc34)cc2)c1C 1875168481 FKIIBEDCHPJOHQ-SAPNQHFASA-N 448.562 7.118 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(Cc4ccccc4)cc3)cc21 1891196560 XSGZGJAVMKGIAY-UHFFFAOYSA-N 440.543 5.467 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)[C@H]2CCC[C@H]21 1926553845 DPANYSOUPDFTFP-DFIYOIEZSA-N 447.620 5.628 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1944588346 LCNQOCOVDRMWBE-HJPURHCSSA-N 449.979 5.669 30 10 IKEE C=C([C@H](NC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(F)(F)F 2016751341 IHLRZTAGZFERLL-DEOSSOPVSA-N 427.466 6.224 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)c1 2031659898 IGTZERUSKDWYHB-OAQYLSRUSA-N 443.588 6.558 30 10 IKEE CCc1ccc([C@@H](C2CCC2)n2nc(C3CC3)c(/C=N/O)c2I)cc1 2079078483 LUJIWXAKNWNXAW-VVJWVBNBSA-N 449.336 5.125 30 10 IKEE COc1ccc([C@H](n2nc(C3CCC3)c(C=NO)c2Br)C2(C)CC2)c(F)c1 2080059998 DWKLHNCDNYQFKI-SFHVURJKSA-N 436.325 5.258 30 10 IKEE N#Cc1c(C2CCCCC2)nn2c(Cl)cc(-c3c(F)c(F)c(F)c(F)c3F)nc12 2081415321 NPBBWYGWYJCHIC-UHFFFAOYSA-N 426.776 5.665 30 10 IKEE CC[C@@H]1CC[C@@H](Nc2cc(Br)cc(F)c2C#N)CN1C(=O)OC(C)(C)C 2107452097 ZADYXLZACHESSX-ZIAGYGMSSA-N 426.330 5.050 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C=O)(Cc1cc(Cl)cc(Br)c1)C2 2110527590 BTIHMHRDIWLEFF-IRXDYDNUSA-N 442.781 5.392 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)C1(C#N)[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2 2111462024 YCRTXEKYUUTLFY-ZEQRLZLVSA-N 445.607 5.931 30 10 IKEE C=C1C[C@H]1C[C@@H](NCCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2158690298 XAMHJFFNSAXSCM-DFQSSKMNSA-N 437.422 5.219 30 10 IKEE Cc1sc([C@@H](C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)c(C)c1Br 2214022239 HQBKAGYPEUPDAF-SNVBAGLBSA-N 427.286 5.492 30 10 IKEE C=C1CC([C@@H](NCC)c2sc(Br)c(Br)c2Br)C1 2216390343 CJUPXSRCGPABJP-SNVBAGLBSA-N 444.030 5.652 30 10 IKEE Cc1sc([C@@H](C#N)N(C[C@H]2CCCO2)C(=O)OC(C)(C)C)c(Br)c1C 2221773648 GXNVRMIFQIOFRN-ZIAGYGMSSA-N 429.380 5.108 30 10 IKEE C=CCCCCCCC[C@@H](O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2227283191 YPDIXNRPWOKEIS-LJQANCHMSA-N 426.395 6.746 30 10 IKEE Cc1ccc(Nc2ccc(C#N)c(Br)c2F)c(I)c1 2231950768 XJDMUCQWBSPEDM-UHFFFAOYSA-N 431.046 5.117 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Cl)cc1[C@H](O)C#Cc1ccccc1Br 2232116719 LRPGMFFRYYGXHA-GOSISDBHSA-N 436.733 5.535 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)[C@H](C)CCCNC(=O)OC(C)(C)C 2235746121 IEJHMBATJOAXIX-XLIONFOSSA-N 437.422 5.110 30 10 IKEE C=C1C[C@H]1C[C@@H](NCCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237414701 CXJHJVBVRNMJIA-DFQSSKMNSA-N 437.422 5.219 30 10 IKEE CC(C)(C)OC(=O)N1CCCC(C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)CCC1 2248636859 SRCRSBYSZMPZFR-UHFFFAOYSA-N 435.609 5.630 30 10 IKEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CSc1cc(Br)cc(F)c1C#N 2260369058 SDXQTCRZWXRMMH-XHDPSFHLSA-N 429.355 5.197 30 10 IKEE C=C(COCc1ccccc1)[C@@]1(OCCCN)CCC(F)(F)C[C@H]1OCc1ccccc1 2262618296 GOUYTGNEPSMWNJ-RSXGOPAZSA-N 445.550 5.268 30 10 IKEE C=CCCC1([C@H](N)c2c(Br)ccc(Cl)c2F)CN(C(=O)OC(C)(C)C)C1 2266307974 NXCACAFOXBHMQH-MRXNPFEDSA-N 447.776 5.445 30 10 IKEE Cc1ccc(C(=O)N(Cc2ccccc2)Cc2cccs2)cc1B1OC(C)(C)C(C)(C)O1 2267237679 SBUVTHLMKHGYTR-UHFFFAOYSA-N 447.409 5.198 30 10 IKEE C[C@H](N(Cc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F)C(C)(C)C 2267410463 JXESWTSOYCDSRC-SFHVURJKSA-N 439.380 5.202 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc2c(c1)CCN(c1c(Br)cccc1C#N)C2 2285220787 NTKNQYLTNRPTFY-UHFFFAOYSA-N 428.330 5.230 30 10 IKEE CCN=C1SC(=Cc2ccc(Br)cc2)C(=O)N1N=Cc1ccc(C)cc1 2293188396 UVFWNRVHTCTAGT-UHFFFAOYSA-N 428.355 5.084 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H](CCC(=O)C#Cc2ccc(Br)cc2)C1 2296217331 SXTNGPQQROCXOD-MJGOQNOKSA-N 434.374 5.233 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)[C@H](O)C#Cc1cccc(Br)c1 2296225962 AOTLYMSNBHBLBH-VQTJNVASSA-N 436.390 5.025 30 10 IKEE C[C@@H](c1ccc(NC(=O)OC(C)(C)C)cc1)[C@@H](O)C#Cc1ccc(Br)cc1 2296280851 DZOAJBFEKYLSPH-YWZLYKJASA-N 430.342 5.312 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc(CC[C@@H](O)C#Cc2ccc(Br)cc2)c1 2296282067 RZEBTQONOVPZPU-FQEVSTJZSA-N 430.342 5.141 30 10 IKEE CON=C(C)[C@H]1C(=NOC)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 2297548844 KLCZPBNZZJGNRW-XQGASDRYSA-N 432.605 5.212 30 10 IKEE Cc1ccc(N=C2NC(=O)C(=Cc3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)S2)cc1 2313511415 PQDOAQWFNAVOLQ-UHFFFAOYSA-N 432.505 5.202 30 10 IKEE COc1ccc(-c2ccc(C=C3SC(=Nc4ccccc4C)NC3=O)o2)c([N+](=O)[O-])c1 2313513999 FQTMIJISXZIVGT-UHFFFAOYSA-N 435.461 5.063 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cccc(OCc2ccccc2)c1 2314470394 GROQVJWSSFWMIF-JWQCQUIFSA-N 436.596 5.613 30 10 IKEE Oc1ccccc1C=Nn1c(CCc2ccccc2)nnc1SCc1cccc(F)c1 2318571009 AFWBSADYPCVIMY-UHFFFAOYSA-N 432.524 5.083 30 10 IKEE C=CCSc1nnc(C2CC2)n1N=Cc1ccc(OCc2ccc(C)cc2)c(OC)c1 2320867754 GQXZDUBKZRSLBL-UHFFFAOYSA-N 434.565 5.212 30 10 IKEE Cc1ccc(COc2ccccc2C=Nn2c(S)nnc2Cc2ccc(C)cc2)cc1 2321968329 ODAKTPCZKIHUIH-UHFFFAOYSA-N 428.561 5.236 30 10 IKEE COc1ccc([C@@H](C)N2COc3cc(C)c4c(c3C2)OC(=Cc2ccccc2)C4=O)cc1 2322244715 WMBFHZBJPRGYKB-GOSISDBHSA-N 427.500 5.533 30 10 IKEE COc1cccc(C=CC(=O)c2ccc3c(c2)CCCC3)c1OCc1ccc([N+](=O)[O-])cc1 2322339138 OGXOTKVMBAFGQH-UHFFFAOYSA-N 443.499 5.957 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(Cl)cc2C=CC(=O)c2ccc(OC)cc2)o1 2322456038 XNOMIQXWOQACQN-UHFFFAOYSA-N 440.879 5.593 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccc(C)cc2)cc1 2322607158 XCZXCEVWSKICPQ-UHFFFAOYSA-N 429.516 5.697 30 10 IKEE Cc1cccc(COc2ccc(Br)cc2C=CC(=O)c2ccc(F)c(C)c2)c1 2322627628 TVVWZQQSDSNKBE-UHFFFAOYSA-N 439.324 6.680 30 10 IKEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1cccc2ccccc12)NC1CCCCC1 2322724663 LOMORFNWUQUTSJ-UHFFFAOYSA-N 447.962 6.217 30 10 IKEE Cc1ccccc1COc1ccc(Br)cc1C=CC(=O)c1ccc(C(C)C)cc1 2322732840 DBVJLLBDHNSJGT-UHFFFAOYSA-N 449.388 7.356 30 10 IKEE C=C(C)COc1c(C=CC(=O)c2ccc(C(C)C)cc2)cc(Br)cc1OC 2322737939 VVYDMGBPJMBTNH-UHFFFAOYSA-N 429.354 6.432 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC)c2OCc2ccccc2)cc1C(C)C 2322801218 RMXOMNJKLQLSKG-UHFFFAOYSA-N 430.544 6.611 30 10 IKEE COC(=O)COc1c(Cl)cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1OC 2323341506 HYOAYMNLJXLZCP-UHFFFAOYSA-N 436.891 5.464 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OC(=O)c3c(F)cccc3Cl)ccc2C1=O 2323353124 MPLOSDSWAAVSHV-UHFFFAOYSA-N 438.838 5.713 30 10 IKEE CCOc1ccc(CC(=O)Oc2cc(C)c3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1 2323374769 HAOASXRAAOXBKJ-UHFFFAOYSA-N 440.495 5.714 30 10 IKEE COC(=O)c1ccc(C=C2Oc3cc(OC(=O)CC4CCCCC4)cc(C)c3C2=O)cc1 2323486145 PTPQYTMQCLHCAJ-UHFFFAOYSA-N 434.488 5.274 30 10 IKEE CSc1nnc(Cc2ccccc2)n1N=Cc1cccc(OCc2ccc(Cl)cc2)c1 2323581285 PMSNDRJVCUCSAV-UHFFFAOYSA-N 448.979 5.705 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2C)C3=O)c1 2323890115 GZZBXVAQKBRLDX-UHFFFAOYSA-N 428.440 5.146 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OCC(=O)NCc1ccccc1 2323959421 YCQHSZSAAJTUSA-UHFFFAOYSA-N 443.543 5.293 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C 2324197228 VSBWXYUKBJXPRK-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccccc4C)c3C)C2=O)cc1 2324412467 ZSEJDTMGIPCRHI-SFHVURJKSA-N 443.499 5.334 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OCc1ccccc1C 2324455871 MWUQMXNMHMSDFN-UHFFFAOYSA-N 426.556 6.824 30 10 IKEE CCc1ccc(OCCCOc2cc(C)c3c(c2)OC(=Cc2ccc(C)cc2)C3=O)cc1 2324662224 DINVKNVQHZYKEX-UHFFFAOYSA-N 428.528 6.330 30 10 IKEE CCc1ccc(NC(=O)[C@H](CC)Oc2ccc3c(c2)OC(=Cc2ccccc2F)C3=O)cc1 2324816740 TWYFRXUXSRLWCA-QHCPKHFHSA-N 445.490 5.800 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1cccc(Br)c1 2325512656 XICOJXICTUXNNA-UHFFFAOYSA-N 447.377 5.697 30 10 IKEE Cc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(OCc2ccccc2)cc1 2325614181 ZYCBUYHUGMRFDZ-UHFFFAOYSA-N 432.524 5.479 30 10 IKEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(C(C)(C)C)cc1 2325642517 ANXSKTFSVLWUJV-UHFFFAOYSA-N 433.408 6.365 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC(=O)C(C)C)c(OC)cc2Br)cc1C 2325714106 KYKFXUCVZHICLX-UHFFFAOYSA-N 447.325 5.232 30 10 IKEE CCCCCCCCC(=O)Oc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OC 2325725463 DWODZRXXDNEPPV-UHFFFAOYSA-N 430.491 6.526 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2)cc1OC(=O)c1ccc(Cl)cc1Cl 2325731660 XTFSAXVCAUMWPZ-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccc(F)cc1)C2=O 2325737502 VADXFGUSUIKTJM-UHFFFAOYSA-N 431.463 5.330 30 10 IKEE CCc1ccccc1OCC(=O)Oc1cccc(C=CC(=O)c2cc(C)ccc2OC)c1 2325743500 NENSUBRWSVMIDP-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE CCCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1sccc1C 2326020570 RUFYPBFRVFKSQE-UHFFFAOYSA-N 435.018 5.697 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1N=Cc1ccc(O)c(Br)c1 2326222458 FPGAQXJPFPHNFU-UHFFFAOYSA-N 445.386 5.263 30 10 IKEE CCSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1cn(C)c2ccccc12 2326380111 NVZJBIQFUDQMJS-UHFFFAOYSA-N 447.608 5.392 30 10 IKEE CCCSc1nnc(COc2ccccc2OCC)n1N=Cc1c[nH]c2ccccc12 2326848616 WMEBBGNNKRPZPG-UHFFFAOYSA-N 435.553 5.121 30 10 IKEE CCSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc(C(F)(F)F)cc1 2327942105 RGQIMFLQDVQNCE-UHFFFAOYSA-N 438.906 5.730 30 10 IKEE CCCSc1nnc(COc2cccc(C)c2C)n1N=Cc1c(F)cccc1Cl 2328858456 PKRCVKVDIINAIW-UHFFFAOYSA-N 432.952 5.651 30 10 IKEE C=CCSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1c(Cl)cccc1Cl 2328961708 SMGZJELFUFWDDK-UHFFFAOYSA-N 445.419 6.147 30 10 IKEE CCCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc(N(CC)CC)cc1 2329115625 FGYJIXJYPNLOMA-UHFFFAOYSA-N 442.032 5.753 30 10 IKEE CCCSc1nnc(CCc2cccs2)n1N=Cc1ccc(OCC)c(OCC)c1 2329674259 HMDCKKDXEFNAPN-UHFFFAOYSA-N 444.626 5.307 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccccc3)n2N=Cc2cccc(Cl)c2)cc1 2329874343 PQKDWUIJJSKTGP-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE Cc1ccccc1CSc1nnc(CC2CCCCC2)n1N=Cc1cccc(Cl)c1 2330232752 OTSVASFWGAHDJZ-UHFFFAOYSA-N 439.028 6.537 30 10 IKEE Fc1ccc(CSc2nnc(Cc3cccs3)n2N=Cc2ccc(Cl)cc2)cc1 2330339458 ZUNCJEXXUQHPAT-UHFFFAOYSA-N 442.972 5.897 30 10 IKEE COc1ccccc1C=Nn1c(SCc2ccccc2Cl)nnc1-c1cccs1 2330583370 NYIGKBYIVUBGGD-UHFFFAOYSA-N 440.981 5.843 30 10 IKEE Fc1ccccc1CSc1nnc(-c2ccccc2)n1N=Cc1c[nH]c2ccccc12 2330672237 QGGIJPJGKMRNME-UHFFFAOYSA-N 427.508 5.740 30 10 IKEE CC(C)(C)Cc1nnc(SCCc2ccccc2)n1N=Cc1c(F)cccc1Cl 2330852147 RQWGAIGWKOEEEI-UHFFFAOYSA-N 430.980 5.876 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC(=O)CCOc1ccccc1 2331157911 DLFFPCXWWOUBFS-UHFFFAOYSA-N 436.891 5.619 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)c1cccc(F)c1 2331335871 VHFODJBZSQTDGD-UHFFFAOYSA-N 438.426 5.406 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)Cc1ccc(C)cc1 2331502944 MYNVOTJCHRKUCS-UHFFFAOYSA-N 442.555 6.561 30 10 IKEE CC(C)c1nnc(SCc2c(F)cccc2Cl)n1N=Cc1cccc([N+](=O)[O-])c1 2331716614 PRLUBKDWNCSNOA-UHFFFAOYSA-N 433.896 5.277 30 10 IKEE CSCCCC(=O)Oc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1Cl 2331792991 UWCAYEIRCLUNAI-UHFFFAOYSA-N 445.024 6.891 30 10 IKEE C=CCCC[C@@H](Cc1ccc(I)c(Br)c1)NCCC 2349788266 UUIZKQBKFRWECC-AWEZNQCLSA-N 436.175 5.321 30 10 IKEE C[C@H]1CC[C@@H](CSCc2ccc(B3OC(C)(C)C(C)(C)O3)c(Br)c2)C1 2349809616 PDVKAEMXMSVTGU-LSDHHAIUSA-N 425.241 5.418 30 10 IKEE Cc1ccc(Cl)c(OCc2ccc(B3OC(C)(C)C(C)(C)O3)c(Br)c2)c1 2377329421 LRJPAEOEZBNHGR-UHFFFAOYSA-N 437.570 5.289 30 10 IKEE CCCCOc1ccc(/C=N\n2c(CCC)nnc2SCc2ccc(Cl)cc2)cc1 2610756 CAFGUPLMBWSSSF-XYGWBWBKSA-N 443.016 6.237 30 10 IKEE Cc1ccc(C)c(NC(=S)N/N=C2\C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)c1 3041504 JMRXUNOMOOJPBO-QYQHSDTDSA-N 448.979 5.194 30 10 IKEE C=CCn1c(S[C@H](C(=O)NC2CC2)c2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1 17710970 GZFCZQALZRYZDF-QFIPXVFZSA-N 446.620 5.541 30 10 IKEE Cc1ccc(N/C(=N/S(=O)(=O)c2ccc(Br)cc2)c2ccccc2)c(C)c1 27490098 ZUAGUCVJKXOWDY-UHFFFAOYSA-N 443.366 5.314 30 10 IKEE C=C(CC[C@H](C)[C@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3)C(C)C 34064252 XJLZCPIILZRCPS-NQYPZPJFSA-N 440.756 8.725 30 10 IKEE N#Cc1ccc(-c2ccc(OC(=O)c3ccnc(C45CC6CC(CC(C6)C4)C5)c3)cc2)cc1 35553509 JDIFXKUROCTAJH-UHFFFAOYSA-N 434.539 6.307 30 10 IKEE C=C(C)COc1ccc(-c2nc3ccc(N)cn3c2CN(Cc2ccccc2)C(C)C)cc1 36272285 UMTRNTWIWLJTFC-UHFFFAOYSA-N 440.591 5.949 30 10 IKEE CCCCCCn1c(O)c(C(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)c(C)c(C#N)c1=O 38627037 SOQVXOOOVHQTLM-RHSMWYFYSA-N 425.356 5.088 30 10 IKEE C=CCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cccc(C)n2)c1 39838230 BEODDEXVXZYJIX-DEOSSOPVSA-N 438.483 5.119 30 10 IKEE C=CCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccc(F)cc2)c1 39879834 GAIJFRPRVWMXSS-DEOSSOPVSA-N 441.458 5.555 30 10 IKEE C=CCc1ccccc1OCCn1c([C@@H](C)NC(=O)c2cccc(C)c2)nc2ccccc21 40185543 AZWNUCHGFWMAAK-OAQYLSRUSA-N 439.559 5.643 30 10 IKEE Cc1cccc(CSc2nc3ccc(/N=C/c4ccc(O)c([N+](=O)[O-])c4)cc3s2)c1 59517253 WLSYXNRTTMJMOR-FSJBWODESA-N 435.530 6.261 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(OC)cc4)ccc3C2=O)cc1 62883570 WDHKCQDUPWOSPA-XYGWBWBKSA-N 443.499 5.377 30 10 IKEE Cc1cccc(N/C(=N\C(=O)c2ccc(C)c(F)c2)NCCc2c[nH]c3ccccc23)c1 66437712 CJPDUWPNADSXER-UHFFFAOYSA-N 428.511 5.364 30 10 IKEE CN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)S/C1=N/c1cccnc1 101124626 BVDLAWBLXVLLRK-DISDYRDVSA-N 435.936 5.548 30 10 IKEE CCCCCCCCCCCCCCCCn1c(-c2cccc(C)c2)nc2ccccc21 102195319 NMRIWLARHSTWJE-UHFFFAOYSA-N 432.696 9.493 30 10 IKEE CCOc1ccc(/C=C2\S/C(=N\c3cccc(C)c3)N(CCCSC)C2=O)cc1 102923060 RAZKWSMPVZRHGS-BLOQEJBCSA-N 426.607 5.751 30 10 IKEE O=C1c2ccccc2/C(=N\N=C\c2ccco2)[C@H]1C(=O)C(c1ccccc1)c1ccccc1 103962023 XVNQCDWPODPSOG-LUCNECPESA-N 432.479 5.317 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@H](c2cccc(OCc3ccc(Cl)cc3)c2)NC(=S)N1 169938391 XBKWPZSTIIPXOK-QHCPKHFHSA-N 448.975 5.595 30 10 IKEE CCOc1ccc(/C=N\Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1Br 169942608 BFWQJVPHZKVVKU-JJFYIABZSA-N 430.371 6.034 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C2CCCCC2)c1 170039345 SBVYNOVPSBAONT-QFIPXVFZSA-N 439.939 5.650 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@H]2c2ccccc2)ccc1F 170050460 DBHCKVBAAAQQRX-NRFANRHFSA-N 439.845 5.710 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1ccc(F)cc1)c1cccc(Cl)c1 170064303 KVEDCHPZAIEGJM-HXUWFJFHSA-N 443.808 5.540 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2sccc2C)c1 170105205 ZZCVFDOQAQSLRL-NRFANRHFSA-N 449.528 5.165 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C2CCCC2)c1 170121410 NQJIUIOCGJVATA-DEOSSOPVSA-N 431.532 5.095 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(OC)c(OCC)c1 170127782 MRKDEXJZWYJGRY-DEOSSOPVSA-N 445.515 5.235 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(N(C)C)cc1 170129005 IDGKFCYTYXWJPN-DEOSSOPVSA-N 428.532 5.284 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(O)cc2)cc1C 170131413 UZGPTMQXAITDHE-QHCPKHFHSA-N 447.462 5.021 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 170150185 IROPFTYOSILBHL-DEOSSOPVSA-N 449.591 6.007 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccccn1)c1ccc2ccccc2c1 170182538 CKGAQDOJOSGQQG-XMMPIXPASA-N 438.458 5.152 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1cccnc1)c1cccc2ccccc12 170183155 SKCOJLYIEJYWPL-JOCHJYFZSA-N 426.497 5.075 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccncc1)c1cc2cc(Cl)ccc2o1 170199428 JKDVGUBRQPGRRP-OAQYLSRUSA-N 448.837 5.403 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2ccc(Cl)cc2)cc1C 170236507 GXVGXAYBGGNETG-OAQYLSRUSA-N 427.928 5.426 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1ccc(F)cc1 170240131 XNDNMJYLPPEXIH-QHCPKHFHSA-N 445.490 5.542 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2F)cc1C 170250627 WFXJPUMIBAADQF-HSZRJFAPSA-N 449.478 5.294 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cn(C)c2ccccc12 170269337 AMWFPGGJGQNGHQ-VWLOTQADSA-N 438.527 5.710 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1sccc1C 170319464 KWVDJBZSXJROGB-IBGZPJMESA-N 439.533 5.580 30 10 IKEE C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)c(C(C)C)c3)=C(O)C(=O)N2CCC)c1 170324343 SGLUFMNMQBTCPV-DEOSSOPVSA-N 449.547 5.372 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1F)c1ccco1 170382211 VLYVGHSFFPQVJC-GOSISDBHSA-N 431.341 5.220 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)cc1 170391510 OLGOOBLDCIRDIP-QHCPKHFHSA-N 449.909 6.133 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccncc2)=C(O)C(=O)N1c1cc(Cl)cc(Cl)c1 170397945 YDXCLCKJKJAOKY-HXUWFJFHSA-N 439.298 5.480 30 10 IKEE Cc1c(Cc2ccccc2)sc(N=Cc2ccccc2OCc2ccccc2)c1C(N)=O 252460124 BWDBEDALCGQOSI-UHFFFAOYSA-N 440.568 6.076 30 10 IKEE Cc1ccc(OCCCn2cc(C=N/N=c3/[nH]c4ccccc4s3)c3ccccc32)cc1 254762759 LMXRLTCMULQZCL-UHFFFAOYSA-N 440.572 5.896 30 10 IKEE CC(C)Oc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)cc2F)c1 526711267 ZMZIMJITJBFIKZ-QHCPKHFHSA-N 449.453 5.535 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(Cl)ccc2O)c1 526774131 YKCSSEJQNKKCQQ-JOCHJYFZSA-N 449.890 5.227 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1ccc(OCC)c(OCC)c1 526802195 FNBYXGQZPSVTLC-MYYYXRDXSA-N 442.560 5.342 30 10 IKEE CCOc1ccc(/C=N\n2c(C)nnc2SCc2ccccc2Cl)cc1OCC 526815803 PHBHDDOMQYMEAS-QRVIBDJDSA-N 430.961 5.212 30 10 IKEE CCOc1ccc(/C=N\n2cnnc2SCc2cccc3ccccc23)cc1OCC 526820330 OYMOLGOZXIOUMT-YSMPRRRNSA-N 432.549 5.403 30 10 IKEE C=CCc1ccccc1OCC#CCNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 585254392 OXAICEWZQNREEF-UHFFFAOYSA-N 441.371 5.265 30 10 IKEE Cc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2cccc(C(F)(F)F)c2)cc1C 586212515 QPPOGFRVNFMWGO-UHFFFAOYSA-N 444.478 5.589 30 10 IKEE CCCCCCC[S@](=O)CC(=O)Nc1scc(-c2ccc(C)cc2)c1C(=O)OCC 586297253 RKFUPVSKVQIRQE-PMERELPUSA-N 449.638 5.558 30 10 IKEE CCCCCCCCCC[C@@H](N)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 693710751 XYHAHKYEHFWFIM-SHQCIBLASA-N 445.692 6.014 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1ccc(C2CC2)cc1 698482267 NRGAGFPYYQRDBR-HXUWFJFHSA-N 427.342 6.333 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2c(F)cccc2Br)c1 698486216 PIBXORSQCPPXPP-QGZVFWFLSA-N 435.293 5.603 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@H]1[C@H]1CCCCN1C(=O)OC(C)(C)C 698836498 BPKCMVZEDIZFJJ-DFIYOIEZSA-N 449.636 5.732 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C3CCCC3)C[C@H]2C1 698889860 GVKKWKXHYRSYAU-LLJLJFOGSA-N 433.593 5.095 30 10 IKEE CCCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2cccc([N+](=O)[O-])c2)cc1 917613115 KYRCFXRWZOUIGT-UHFFFAOYSA-O 445.524 5.030 30 10 IKEE C[C@]12CCCC[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)/C(=N\N=C\c3ccccc3C(F)(F)F)CC[C@H]12 1613971506 FHIHDASURXFVSB-NGRCJAHFSA-N 444.585 7.913 30 10 IKEE C=C(C)[C@@H](NCC(=O)Nc1nc(C)c(Cc2ccc(C)cc2)s1)c1ccc(F)c(F)c1 1645345272 UPBKXXVSLXWDGO-HSZRJFAPSA-N 441.547 5.474 30 10 IKEE Cc1csc(N=C2S/C(=C\C(Cl)=C\c3ccccc3)C(=O)N2c2ccccc2)n1 1772740483 YNGIRZZDUYZHRU-GPBXXIHCSA-N 437.977 6.383 30 10 IKEE CC(=C/c1ccccc1)/C=C1/SC(=NN=Cc2ccccc2O)N(Cc2ccco2)C1=O 1772756826 DQGIMOIJYALVHJ-COLKZDKYSA-N 443.528 5.438 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=Nc1ccc(O)cc1C(=O)O 1772761621 BSONVBUOFDHRET-YTSXSWHBSA-N 437.304 5.021 30 10 IKEE Cc1ccccc1-c1nc2scc(-c3ccccc3)c2c(=O)n1Cc1cccc(C#N)c1 1857803527 WVWLCVZVSAFYEJ-UHFFFAOYSA-N 433.536 6.020 30 10 IKEE COc1ccc(Cl)c(-c2cc(C(=O)Nc3ccccc3C#N)nn2Cc2ccccc2)c1 1859404715 HJOAYKDRJYRXRZ-UHFFFAOYSA-N 442.906 5.384 30 10 IKEE CN1CCC(N(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cccc(F)c2)CC1 1859974304 AOAMJYAVQQXWAA-UHFFFAOYSA-N 448.382 5.604 30 10 IKEE N#Cc1cccc(C(=O)Nc2ccc(Cl)c(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2)c1 1860461696 MRNXGUUAWJUTTD-IZZDOVSWSA-N 446.850 5.024 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)c1ccc(Cl)c(Cl)c1 1861051541 ZWNYJONHYFTIEO-NRFANRHFSA-N 443.459 6.539 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC(C)C)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 1861132443 XGNJLGWOKSRTPZ-TVXVBNPNSA-N 445.604 5.396 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1sccc1C 1861734205 RJLGOXSVPXPGMS-QFIPXVFZSA-N 446.632 5.794 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2cccc3ccccc23)n(Cc2cccc(Cl)c2)n1 1862371057 GANXKXLRJPKSOL-UHFFFAOYSA-N 441.962 6.219 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@H]1c1ccccc1 1862387132 DNLXYJKSNBTEQF-AZGAKELHSA-N 447.619 6.966 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc(F)c2)cc1 1862474852 XALBRGQWVPXXGE-DEOSSOPVSA-N 429.491 5.264 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccc(Cl)cc2)cc1 1862476821 PCHQCXOSUGPGBR-HSZRJFAPSA-N 435.951 6.117 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(C(C)C)cc2)ccc1F 1862504362 SPVWXJNZXIKXFW-HSZRJFAPSA-N 449.547 6.098 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2cccc(O)c2)ccc1F 1862508230 ZFRQLTGUKNAOJV-HSZRJFAPSA-N 435.495 5.309 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2cccc(OC)c2)cc1 1862530532 RUSBJUQVLUUCFH-IQGLISFBSA-N 441.527 5.597 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc2c(c1)CCCN2C 1862539192 VBWKVYASQDPCAE-DEOSSOPVSA-N 432.564 5.010 30 10 IKEE CN(C)c1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862559053 GPLYRQGSNOPAIP-XMMPIXPASA-N 447.579 5.026 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2)cc1 1862614711 FKHNCEDBWDHAAD-HSZRJFAPSA-N 426.516 5.158 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(F)cc1 1862615639 LJMYQLUNRVOUAK-UWSIMGETSA-N 449.566 6.280 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862660570 KAWYCRRFDPXOKG-QPPBQGQZSA-N 444.531 5.049 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1cccc(Cl)c1)c1ccc(F)cc1 1862675971 XTGPMRJVPUUTRM-OAQYLSRUSA-N 427.903 5.780 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@H]2c2ccc(C)cc2)cc1 1862687213 HVAJUZNVLOJBAI-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C34CC5CC(CC(C5)C3)C4)[C@H]2c2ccccc2)c1 1862699726 XDSUMPCKRKFAED-GETQMSEISA-N 443.543 5.242 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccccc1C(=O)O)c1ccc2ccccc2c1 1862715100 RNVJWHXHJRCSSE-HSZRJFAPSA-N 441.483 5.059 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccc(O)c1 1862722570 ULEQOBVHDQVEQK-RUZDIDTESA-N 441.527 5.684 30 10 IKEE N#Cc1cccc(N2C(=O)C(Nc3ccccc3)=C(c3cc(Cl)ccc3Cl)C2=O)c1 1863015463 ZNPDVTNXKSZRDK-UHFFFAOYSA-N 434.282 5.262 30 10 IKEE C=CCOc1cn(CCC(C)C)c(CSc2nc3ccc(OC(F)F)cc3[nH]2)cc1=O 1870244678 CKIPGMBPMJRNIC-UHFFFAOYSA-N 449.523 5.229 30 10 IKEE CCCCCCCOc1cn(CCCn2ccnc2)c(CN(CC)CCCC)cc1=O 1870416692 KKTNBZMNGMYGQA-UHFFFAOYSA-N 430.637 5.106 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc(OC)c2)cn1CCC1=CCCCC1 1870608873 DUQVQAHGOFJUKR-UHFFFAOYSA-N 448.607 5.500 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccco1)C3=O)CN(Cc1ccccc1OC(C)(C)C)CO2 1871349945 CMPOIIZJQBOLSL-QRVIBDJDSA-N 445.515 5.734 30 10 IKEE COc1ccc([C@@H](C)N2COc3c(cc4c(c3C)O/C(=C\c3ccccc3)C4=O)C2)cc1 1871359317 JYRNRFRXEDBHQH-WTZXFZKGSA-N 427.500 5.533 30 10 IKEE Cc1c(OC(=O)Cc2ccc(Cl)c(Cl)c2)ccc2c1O/C(=C\c1ccccc1)C2=O 1871376712 FFFCLWAEHHNMLC-MTJSOVHGSA-N 439.294 6.066 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OC(=O)COc3ccc(Cl)cc3)cc(C)c2C1=O 1871380924 JKOFRDPMICCLGW-ODLFYWEKSA-N 440.904 5.619 30 10 IKEE C=CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(OC)cc2)C3=O)cc1 1871389620 GKERZYVTBCWHOZ-IWIPYMOSSA-N 442.467 5.404 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3oc(=O)c(-c4ccc(OC)cc4)c(C)c3c2)cc1 1871389931 VLTPKMHXYZBFQS-UHFFFAOYSA-N 442.467 5.561 30 10 IKEE Cc1cccc(N2CCN(Cc3c(O)ccc4c3O/C(=C\c3sccc3C)C4=O)CC2)c1 1871397756 MVMPQRMELHMSEU-HAHDFKILSA-N 446.572 5.009 30 10 IKEE Cc1c(OCCOc2ccccc2F)ccc2c1O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871417709 XMUBETMFXNBPDK-XYGWBWBKSA-N 432.491 6.332 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(c4ccccc4)c4ccccc4)cc(C)c3C2=O)cc1 1871430875 HVZZOHZORRLXHS-IMRQLAEWSA-N 432.519 7.088 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3cc(OCc4cccc5ccccc45)ccc3C2=O)c1 1871434655 QEXGIGPIHPOVGS-DICXZTSXSA-N 438.479 6.052 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4cc(C)ccc4C)c3C)C2=O)cc1 1871460334 HNTRRWUTGJYGDL-MYYYXRDXSA-N 441.527 5.808 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)C(C)C)S(=O)(=O)c1ccccc1 1872013487 GOIXAXPGORZINY-QHCPKHFHSA-N 442.625 5.214 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)CCCC 1872220723 RPHWEFHUPQQVAT-QFIPXVFZSA-N 436.662 5.489 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccccc1 1872446848 OCPDDQVGQOEXHO-DEOSSOPVSA-N 442.625 5.574 30 10 IKEE N#C[C@H](C(=O)/C(=C\c1ccccc1)c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 1872765995 ALSFVOOKVUKPJL-UAPYWLNTSA-N 440.955 6.881 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)Cc3ccccc3Cl)n2)cc1C(C)C 1872779708 PLEXPYQAMSYGNW-LJQANCHMSA-N 438.980 6.323 30 10 IKEE COc1cc(OC)c(-c2csc([C@H](C#N)C(=O)c3ccccc3Cl)n2)cc1Cl 1872783142 SHQQLEJJCOOPRZ-CYBMUJFWSA-N 433.316 5.624 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccccc3)n2)c2ccccc12 1872788338 HJNAXMOFEACENK-JOCHJYFZSA-N 442.540 6.007 30 10 IKEE C=CCN1C(=O)C(Nc2cccc(OC(C)C)c2)=C(c2c(Cl)cccc2Cl)C1=O 1873289235 CLWFZJJUOAWQET-UHFFFAOYSA-N 431.319 5.159 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc2c(NCCCC)ncnc21 1873604267 RVCPVVCDIZSZPX-UHFFFAOYSA-N 446.599 5.318 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(OCC)cc2)cc2c(NCc3ccccc3C)ncnc21 1873618834 JXQGTDWLHWVUKK-UHFFFAOYSA-N 441.535 5.189 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1cccc(C(C)(C)C)c1)n2CCC 1873656700 IDAVSZDKDPJEHL-UHFFFAOYSA-N 431.584 5.570 30 10 IKEE Clc1ccccc1CCc1nnc(SCCc2ccccc2)n1/N=C/c1ccccn1 1874279641 NTROTYHBNCAENQ-OVVQPSECSA-N 447.995 5.329 30 10 IKEE CCCOc1ccc(/C=N/n2c(COc3c(C)cccc3C)nnc2SCCC)cc1 1874300649 WYUSZDLKRFMDOA-PCLIKHOPSA-N 438.597 5.647 30 10 IKEE Cc1ccc(/C=N/n2c(COc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 1874383989 RXCINSXTJVWMPH-CVKSISIWSA-N 432.524 5.479 30 10 IKEE CCCNC(=O)CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1ccc(C(C)C)cc1 1874393478 NYBQNNUZWBCDEE-BWJYWGHISA-N 449.624 5.054 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3ccccc3Cl)nnc2[C@H](C)c2ccccc2)c1 1874395800 WBPYQWSGRQUMSA-BWJYWGHISA-N 447.007 6.566 30 10 IKEE Cc1ccccc1CSc1nnc(CC2CCCCC2)n1/N=C/c1ccc(C(=O)O)cc1 1874406083 FTLNPKBCLICWAK-WGOQTCKBSA-N 448.592 5.582 30 10 IKEE C=C(C)CSc1nnc(-c2cccs2)n1/N=C/c1cccc(OC)c1OCCC 1874422572 TXENKXMBVJCZRW-LPYMAVHISA-N 428.583 5.354 30 10 IKEE CCSc1nnc(-c2ccccc2)n1/N=C/c1ccc(N(CC)Cc2ccccc2)cc1 1874427506 NLYXSAPJHXWVSE-ZXVVBBHZSA-N 441.604 5.966 30 10 IKEE Cn1cc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccc(F)cc2)c2ccccc21 1874436894 FLTRMLGWMOTEJZ-VULFUBBASA-N 435.572 5.672 30 10 IKEE COCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1c[nH]c2ccccc12 1874502306 AWGRCFSUQWZDDM-VULFUBBASA-N 427.533 5.234 30 10 IKEE CCN(CC)C(=O)COc1c(/C=C/C(=O)c2ccc(Cl)cc2Cl)cccc1OC 1874573633 XRXAFNJLDYRUSW-FMIVXFBMSA-N 436.335 5.145 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCc2ccccc2)cc1F 1874582474 PKEDUQCKLQFFRQ-CSKARUKUSA-N 426.871 5.971 30 10 IKEE Cc1ccc(COc2ccc(Br)cc2/C=C/C(=O)c2ccc(F)c(F)c2)cc1 1874585336 SRUUVWHAGRHKDO-JXMROGBWSA-N 443.287 6.511 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2)c(C)c1C 1874586409 MFUPZAKPYORPFU-FMIVXFBMSA-N 449.934 5.879 30 10 IKEE COc1cccc(/C=C/C(=O)c2c(C)cc(C)cc2C)c1OCc1c(F)cccc1Cl 1874589847 GCEHYGRIRORRAC-VAWYXSNFSA-N 438.926 6.888 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccccc1OCC(=O)Nc1ccccc1F 1874589896 INCKTOJCPAIREM-JQIJEIRASA-N 445.534 6.345 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1OCc1ccccc1Cl 1874601008 NYBUFQFEVBNSQR-UXBLZVDNSA-N 447.745 7.131 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(Cl)c1OCc1ccc(C)cc1 1874623654 OOBPUBVEIWVKJM-CCEZHUSRSA-N 442.942 7.285 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc(OC)c1OCCO 1874627967 GKEWDJGBCXXJTA-XNTDXEJSSA-N 430.500 5.483 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1Cl 1874636588 IOAYGWKHGDTUMN-JXMROGBWSA-N 443.326 6.486 30 10 IKEE O=C(Cc1ccccc1Cl)Oc1cccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1 1874695909 YQVHIXCXVDDBQO-DHZHZOJOSA-N 445.729 6.691 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OC(=O)Cc1cc(C)ccc1C 1874709683 NXCUCUPPXRCNDX-UXBLZVDNSA-N 436.454 5.634 30 10 IKEE O=C(Cc1ccccc1)Oc1cccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)c1 1874712574 HRESWEAWPYLZAK-XMHGGMMESA-N 434.491 6.523 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cccnc3)c2)c(OCC)c1 1874714729 LAWUZGWFXIWSEX-XYOKQWHBSA-N 447.487 5.003 30 10 IKEE C[C@@H](C(=O)Oc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1)c1ccccc1 1875080770 SBXDWXRVHLBDJS-QJUACMODSA-N 432.519 6.959 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1ccc(F)cc1 1875096158 ZOPNPVIQQOXEHQ-MKMNVTDBSA-N 426.443 6.103 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Br)cc2)cc(Cl)c1OC(=O)C1CC1 1875108883 LBYATRSSWZRNGV-XNWCZRBMSA-N 435.701 5.323 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1C 1875116967 BCYBJVVRCQPDED-MKMNVTDBSA-N 431.444 5.092 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)CSc1ccccc1 1875128134 OWAYVZMWSBTKLG-BUHFOSPRSA-N 434.513 5.298 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc(Cl)c1OC(=O)C1CC1 1875133006 ZGSKJKUCTMDWCA-FPYGCLRLSA-N 439.722 6.257 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)CSc1ccccc1 1875134203 SVLWXOHGJNTATR-SDNWHVSQSA-N 446.568 6.296 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)COc2cc(F)ccc2F)cc1 1875143512 CVDIRYJDSRJAGK-IZZDOVSWSA-N 438.426 5.162 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OC(=O)c1ccc(Cl)cc1 1875154825 YGADPIDWHXSMGH-OQLLNIDSSA-N 442.898 6.617 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)c1ccccc1C 1875155914 VLVBOSQBHDTTHR-XNTDXEJSSA-N 444.527 6.251 30 10 IKEE O=C(Cc1ccc(Cl)cc1)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1Cl 1875158353 QYXWSTQQAOSYIT-QDEBKDIKSA-N 429.274 6.177 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)CCCOc1ccccc1 1875159629 UPVDPMPXKPKZQN-OQLLNIDSSA-N 434.463 5.495 30 10 IKEE C=CC[C@H](C)[C@H](NCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875650984 OOORZVGASTVTLA-PWUSVURUSA-N 445.603 6.068 30 10 IKEE Cc1ccc(Br)cc1CC(=O)C=Cc1ccc(NC(=O)OC(C)(C)C)cc1 1912024344 MTISEFXVJCNOFY-UHFFFAOYSA-N 430.342 5.930 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](C)CCC[C@H](C)NC(=O)OC(C)(C)C 1922072474 VCEXXTNPTURWPN-ODGPQVTHSA-N 432.649 5.847 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCC1 1924940826 LBAGYYWZEOAYCZ-OSPHWJPCSA-N 433.593 5.143 30 10 IKEE CC[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)CN1Cc1ccccc1 1942581096 QFKBKLQBHJSHNA-CJFMBICVSA-N 439.987 6.028 30 10 IKEE CC[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)CN1Cc1ccccc1 1942588846 GJXMHVGEERRCNA-PXDATVDWSA-N 439.987 6.028 30 10 IKEE CC(C)[C@@H]1CC=C(C(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)CC1 2010745380 ZSDDIGBUBYRTEA-RLWLMLJZSA-N 426.601 5.107 30 10 IKEE C=C(CCNC(=O)OC(C)(C)C)CN[C@H](C)C[C@H]1CCCCCN1C(=O)OC(C)(C)C 2020331123 BIKBJPRBBDKPRO-WOJBJXKFSA-N 439.641 5.005 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2031998691 FJDJOZZVNFMJEZ-SRGWNRLKSA-N 447.551 5.495 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c1 2040976542 FWDKTKFDMGWYMK-XMZFGDCGSA-N 441.572 5.276 30 10 IKEE C[C@@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)[C@@H](OCc2ccccc2)C1 2043778243 XYKBTNXRELYDGY-SSEPRJSISA-N 440.628 6.614 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Br)c1Cl)NC 2047974576 XCRKCDQKAWBAJL-CVEARBPZSA-N 431.802 5.093 30 10 IKEE Cc1ccnc(N(Cc2ccccc2)[C@@H](C)c2cccs2)c1B1OC(C)(C)C(C)(C)O1 2052555946 GFWRUARHKBAZBZ-IBGZPJMESA-N 434.414 5.519 30 10 IKEE C=C([C@H](NCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(F)(F)F 2071266697 HPRUPUFEKKINQK-VWLOTQADSA-N 441.493 6.614 30 10 IKEE COc1ccc([C@@H](n2nc(C3CC3)c(C#N)c2I)C(C)(C)C)cc1C 2079952588 KIHJVRNHYMVFRL-GOSISDBHSA-N 449.336 5.189 30 10 IKEE Fc1ccc(-c2c(C(F)(F)F)nn(C3CCCC3)c2Br)cc1C(F)(F)F 2080933737 SRRLXPXKRLBQKW-UHFFFAOYSA-N 445.176 6.604 30 10 IKEE CC(C)c1c(C(F)(F)F)nn2c(Cl)cc(-c3cc(F)ccc3C(F)(F)F)nc12 2081245059 NVQKGYQAAAVHKO-UHFFFAOYSA-N 425.735 6.350 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1CCNc1cc(Br)c(C#N)cc1F 2106031620 YSQAQMRTGKUQDG-AWEZNQCLSA-N 426.330 5.051 30 10 IKEE C=CCN(CC[C@H](Cc1ccc(Cl)c(Br)c1F)NC)C(=O)OC(C)(C)C 2110506733 MICOSFXXAHNAHY-CQSZACIVSA-N 449.792 5.185 30 10 IKEE Cc1nc(C)c(B2OC(C)(C)C(C)(C)O2)c(N(Cc2ccccc2)[C@@H](C)c2cccs2)n1 2116147700 GOKWFFPJOSBRKN-SFHVURJKSA-N 449.429 5.222 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCCC)c2cc(Cl)cc(Br)c2)C1 2136668319 MOBRHJZEVPQNQK-KRWDZBQOSA-N 443.813 5.757 30 10 IKEE C=CCCCCCC[C@H](NC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2141906850 YPDRNPPYWPJSJC-IBGZPJMESA-N 425.411 6.583 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)C[C@@H]2CCCCC[C@@H]2C1 2153399627 KJXNRRXNUIHKTO-FAQVEIGNSA-N 433.390 6.443 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](Nc2cc(Br)cc(F)c2C#N)CC12CCC2 2163708990 RBAMCQKQGTZHGE-AWEZNQCLSA-N 438.341 5.194 30 10 IKEE C#CC[C@H](C[C@H](NCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C)C1CC1 2196849775 RKMLWDJKGJWSIY-APWZRJJASA-N 435.406 5.886 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@H](C)CN(C(=O)OC(C)(C)C)[C@H]2C)cc1 2220395857 ZZYCKNWLFWMURH-MHPIHPPYSA-N 443.588 5.664 30 10 IKEE N#Cc1ccc(N)cc1Nc1cc(Br)c(Br)c(Br)c1 2229135578 VQBJUHDEVPCKKW-UHFFFAOYSA-N 445.940 5.172 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)[C@H](CC(C)C)NC(=O)OC(C)(C)C 2235728418 LNWGXJCQFANCCP-PMACEKPBSA-N 437.422 5.108 30 10 IKEE C=C1C[C@H]1C[C@@H](NCCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237433793 PUWQWEVRGBFSTL-SXLOBPIMSA-N 437.422 5.219 30 10 IKEE CN[C@@H](CC=CC#CC(C)(C)C)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2248473622 KHTKPNADNSMVKW-GOTSBHOMSA-N 428.617 5.070 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCCCN)c1sc(Cl)cc1Br 2252540647 ZLDRCYUSGZBTBC-KRWDZBQOSA-N 430.795 5.344 30 10 IKEE Cc1cc(C(=O)N(Cc2ccccc2)CC2CCCC2)sc1B1OC(C)(C)C(C)(C)O1 2255874840 YVQVRTAVMMUBSO-UHFFFAOYSA-N 439.430 5.188 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)c1c(F)c(F)c(Br)c(F)c1F 2267829930 XPMNGZQCECSHSR-QMMMGPOBSA-N 440.231 5.048 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCC)c2cccc(Cl)c2Br)C1 2272011747 XMTGIAFIQFCTOI-QGZVFWFLSA-N 443.813 5.614 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(F)cc(Br)c1F 2272733934 OHOBCOGTZGHMRS-DOTOQJQBSA-N 433.337 5.237 30 10 IKEE CCCCN1C(=O)C(=C2Sc3ccc(Cl)cc3N2C)SC1=NCc1ccccc1 2295190050 MFFMEFJPFXZRQY-UHFFFAOYSA-N 444.025 5.983 30 10 IKEE CC(C)[C@H](CCNC(=O)OC(C)(C)C)CC[C@H](N)C#Cc1cccc(Br)c1 2296215878 FLFWSWHOCPYEJO-AZUAARDMSA-N 437.422 5.095 30 10 IKEE CCCN(CCC)Cc1c(O)ccc2c1OC(=Cc1cccc(Br)c1)C2=O 2296598198 FGHKMABUYXVRHB-UHFFFAOYSA-N 430.342 5.393 30 10 IKEE Cc1cccc(C)c1N=C1SC(=Cc2ccccc2[N+](=O)[O-])C(=O)N1c1ccccc1 2297531816 RXBCIGASJUHXSO-UHFFFAOYSA-N 429.501 6.020 30 10 IKEE C=CCN1C(=O)C(=C2Sc3ccccc3N2C)SC1=Nc1c(O)ccc2ccccc12 2297708134 HPUBYKXZIYTAIN-UHFFFAOYSA-N 445.569 5.706 30 10 IKEE C=CCCN(Cc1ccccc1)[C@@](C)(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)O 2306525731 ISPAEDJJSXGSDK-OFVILXPXSA-N 430.589 5.088 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2321304184 HRAVUSKTUCLIAW-RBUKOAKNSA-N 445.535 5.249 30 10 IKEE Cc1ccc(CN2COc3cc(C)c4c(c3C2)OC(=Cc2ccc(N(C)C)cc2)C4=O)cc1 2321958827 ZATGSRRJPKUYOU-UHFFFAOYSA-N 440.543 5.338 30 10 IKEE O=C1C(=Cc2ccc(-c3ccccc3)cc2)Oc2c1ccc1c2CN(CCc2cnc[nH]2)CO1 2322199220 XGABXULLUFQRLS-UHFFFAOYSA-N 449.510 5.088 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(F)cc2)c1OCC(=O)Nc1ccc(C)cc1C 2322748734 DHKZKDZERRPCOJ-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE Cc1cc(OC(=O)Cc2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1ccc(N(C)C)cc1)O2 2322901075 YJRZVPVUMLWTAX-UHFFFAOYSA-N 447.918 5.479 30 10 IKEE COc1ccc(CCC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C)o2)C3=O)cc1OC 2323098043 BNLRJVUMSLDZQY-UHFFFAOYSA-N 448.471 5.068 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCc3ccccc3Cl)c2)cc1F 2323201767 MTNDDIMJQOSOMA-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC)c(OC)c2OC)cc1OCc1ccccc1C 2323340948 HOKHBTSJFHMMQA-UHFFFAOYSA-N 448.515 5.505 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 2323461686 MFRLIBCPNWGNRG-UHFFFAOYSA-N 447.487 5.650 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)cc(C)c3C2=O)o1 2323641634 IZGJNLHCBAEQEE-UHFFFAOYSA-N 432.472 5.767 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OCC(=O)Nc1ccccc1F 2324010333 IECBGBPPGNPANG-UHFFFAOYSA-N 449.478 5.065 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1ccccc1)C2=O 2324335620 STQBNFNFLGZYIG-GOSISDBHSA-N 427.500 5.580 30 10 IKEE CCOc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 2324366266 JKKXUMFDISXKLF-IBGZPJMESA-N 434.517 5.116 30 10 IKEE Cc1ccc(OCCOc2ccc3c(c2)OC(=Cc2c(Cl)cccc2Cl)C3=O)cc1 2324537434 SVJSELCQJFEFIM-UHFFFAOYSA-N 441.310 6.376 30 10 IKEE COc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)s3)cs2)c(OC)c1 2324817257 HKBHTQOVYVXHDC-AWEZNQCLSA-N 430.938 5.432 30 10 IKEE CCCCCCCCCOc1ccc2c(c1)OC(=Cc1cccc(Br)c1)C2=O 2325183561 IAMZBIGDNCEGGU-UHFFFAOYSA-N 443.381 7.195 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cc4ccccc4n3C)c2)cc1 2325718626 MCVAFTMWGXUGGB-UHFFFAOYSA-N 441.483 5.311 30 10 IKEE Cc1cc(OCC(=O)Nc2ccccc2F)cc2c1C(=O)C(=Cc1ccc(C(C)C)cc1)O2 2325739526 KWYSBFASMBNETC-UHFFFAOYSA-N 445.490 5.891 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2ccc(F)cc2)cc1OC(=O)C1CCCC1 2325751224 DBPGZEBEVZOJST-UHFFFAOYSA-N 447.300 5.589 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1OC(=O)c1ccc(N(C)C)cc1 2325753212 XRUNPVBMMDLQDI-UHFFFAOYSA-N 437.442 5.155 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1OC(=O)CCCSC 2325757325 PPMRWCXLLLGYDF-UHFFFAOYSA-N 428.550 5.265 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2ccc(C)c(C)c2)cc1OC(=O)C1CC1 2325760152 FELBUTXISXERCQ-UHFFFAOYSA-N 429.310 5.286 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)c2ccc(F)c(F)c2)c1 2325783149 HPBVZQIYHCKWHR-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE CCCCCCCOc1ccccc1C=Nn1c(C)nnc1SCc1ccc(F)cc1 2326238213 ZWLKURBVFVUVGK-UHFFFAOYSA-N 440.588 6.249 30 10 IKEE CCCCCCCCCCNC(=O)C=Cc1cc(Br)c(OC)c(OC)c1 2327488315 WLQRQFGZEMCBGO-UHFFFAOYSA-N 426.395 5.736 30 10 IKEE COc1ccccc1OCc1nnc(SCc2ccccc2)n1N=Cc1ccc(C)cc1 2328280007 KPZMYXKROQBTGR-UHFFFAOYSA-N 444.560 5.349 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(OC)cc2)n1N=Cc1ccc(C(C)C)cc1 2328383721 OXKUFJYCMBKJQS-UHFFFAOYSA-N 436.581 5.540 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccccc3)nnc2-c2ccccc2Cl)cc1 2329572960 FHBNZINVGGFTEE-UHFFFAOYSA-N 434.952 5.782 30 10 IKEE Cc1ccsc1C=Nn1c(SCCc2ccccc2)nnc1[C@H](C)c1ccccc1 2330112893 DCBJKTIBZGRIFK-LJQANCHMSA-N 432.618 6.017 30 10 IKEE CCCSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1cc(Cl)c(O)c(OC)c1 2330123388 ICROFTTYBZEAOZ-AWEZNQCLSA-N 430.961 5.182 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)c(Cl)c2)cc1 2330743895 OZLRAJBRKCYCOJ-UHFFFAOYSA-N 446.974 7.315 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2)ccc1OC(=O)c1ccc(OC)cc1 2330874204 RJDUGLLPXBPQNI-UHFFFAOYSA-N 446.499 5.526 30 10 IKEE COc1cccc(C=Nn2c(SCc3cccc4ccccc34)nnc2[C@@H]2CCCO2)c1 2330977081 RQDZUURWCZSUHE-QHCPKHFHSA-N 444.560 5.466 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3ccccc3C)nnc2C(F)(F)F)c1 2331115404 IRGMICGURZEBOA-UHFFFAOYSA-N 434.487 5.569 30 10 IKEE CCCSc1nnc(-c2ccco2)n1N=Cc1ccc(N(CC)Cc2ccccc2)cc1 2331216094 FZELTOTZJDGOSI-UHFFFAOYSA-N 445.592 5.949 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(Cl)c(OC(=O)c2ccccn2)c(OC)c1 2331351241 BYQOTNNHGITPMS-UHFFFAOYSA-N 437.879 5.176 30 10 IKEE CC(C)Cc1nnc(SCc2ccccc2F)n1N=Cc1ccc(C(F)(F)F)cc1 2331453982 IGDDUJLLLODCHD-UHFFFAOYSA-N 436.478 5.809 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(F)c2)ccc1OC(=O)c1ccc(F)cc1 2331461107 LODOOWBFAFOWAR-UHFFFAOYSA-N 438.426 5.487 30 10 IKEE CC(C)(C)C(=O)Oc1ccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1Cl 2331595048 GQPVIULXQJEPQE-UHFFFAOYSA-N 434.919 6.980 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)CC(C)C)c([N+](=O)[O-])c2)c1 2331678605 HFIVUWADOQQQPE-UHFFFAOYSA-N 441.480 5.240 30 10 IKEE CC(C)c1nnc(SCc2c(F)cccc2Cl)n1N=Cc1c(F)cccc1Cl 2331716259 FVQYAGQCJFKIIP-UHFFFAOYSA-N 441.334 6.161 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1cnc(C(F)(F)F)o1 2367982603 IGNUEGCTKFIJJP-LBPRGKRZSA-N 446.223 5.462 30 10 IKEE Cc1cc(CNc2cc(Cl)ccc2Br)ccc1B1OC(C)(C)C(C)(C)O1 2369694363 OFAJHXWAOGXAAP-UHFFFAOYSA-N 436.586 5.322 30 10 IKEE O=C1/C(=C\c2cccnc2)Oc2cc(OC(=O)N(c3ccccc3)c3ccccc3)ccc21 2418727 IUMGQZBDXQQQEU-PCLIKHOPSA-N 434.451 6.035 30 10 IKEE C=C(C)COc1ccc(NC(=O)c2ccc(OC[C@H]3CCCO3)c(Br)c2)cc1 9925709 BZEKKMFPBRLRGE-LJQANCHMSA-N 446.341 5.214 30 10 IKEE CN(C)c1ccc(/C=N/c2ccccc2Nc2cc(-c3ccccc3)nn2CCC#N)cc1 13063430 HQWQYSUFOSSGLE-ZTKZIYFRSA-N 434.547 6.024 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)S/C1=N\c1ccccc1C(=O)O 16928637 LKPFJIKQVNCARE-PLISCHTNSA-N 433.316 5.482 30 10 IKEE CC(C)COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 21255161 AHONFAWCVJGPQN-ZTOMLWHTSA-N 438.571 6.701 30 10 IKEE CC(C)[C@H](C(=O)O[C@H](C#N)c1ccc(O)c(Oc2ccccc2)c1)c1ccc(Cl)cc1 31502261 GMAXTTBMQATUEV-RPWUZVMVSA-N 435.907 6.386 30 10 IKEE O=C(/C=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(NC(=O)c2ccccc2)c1 35568728 QHBZIYVKZDUTIA-SQFISAMPSA-N 438.439 6.003 30 10 IKEE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=S)Nc2ccccc2)CCC3)cc1C 40825150 FCJHTBNGOXPENZ-VFCFBJKWSA-N 446.576 5.484 30 10 IKEE CCCCCCn1c2ccccc2c2nnc(N/N=C/c3c(Cl)cccc3Cl)nc21 64981184 YKZLCUKDTUKAOE-AFUMVMLFSA-N 441.366 6.313 30 10 IKEE C/C=C\Oc1ccc(C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3o2)cc1 98037251 KOCPPQOGKJFGLW-PIBOIWDCSA-N 426.428 6.072 30 10 IKEE CCCCCCCCCCCCCCCCNCCOc1ccc(Cl)cc1Cl 100023249 PIWPLPZDJWGETB-UHFFFAOYSA-N 430.504 8.443 30 10 IKEE CCCCCCCCNCc1ccc(OCCCCCCC)cc1OCCCCCCC 100048642 IDWIHZBFPCIMOJ-UHFFFAOYSA-N 447.748 8.835 30 10 IKEE CCCCCCCN1C(=O)C[C@H](C(=O)Nc2ccc(F)cc2)S/C1=N\c1ccccc1 100171588 LCVNENOKFIBKDE-LQUAGZSJSA-N 441.572 5.756 30 10 IKEE CCCCCCCOc1cccc(NC(=O)c2cc(Br)ccc2OC(C)C)c1 100246464 FOGHOBPWDLUDJO-UHFFFAOYSA-N 448.401 6.838 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2Cl)S/C(=N/c2nccs2)N1c1ccccc1 101128628 MEKYHLAMMGQUCM-WVAULHCUSA-N 432.357 6.259 30 10 IKEE Cc1[nH]c2ccccc2c1/C=N/c1sc2c(c1C(=O)NCc1ccccc1)CCCC2 103698768 LOQGFQMILICOSK-LQKURTRISA-N 427.573 6.097 30 10 IKEE CC(C)(C#N)CCCNc1c(Br)cc(Br)cc1Br 114946482 OBVXDLKJJGYFSS-UHFFFAOYSA-N 438.989 5.716 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)cc1 165790101 DNYPWJKCLBMJME-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE CCCCCCOc1ccc([C@@H]2NC(=S)N(CCC)C3=C2C(=O)CCC3)cc1OC 169929837 RHCHIFXQQQHFCN-QHCPKHFHSA-N 430.614 5.303 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2ccc(O)cc2)cc1C 169963668 POIYMAKEJHHGBR-QFIPXVFZSA-N 435.426 5.070 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)C)cc2)[C@@H]1c1ccccc1 170049131 SMIPXLSTEYXXAK-XMMPIXPASA-N 445.490 5.741 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@H]2c2ccccc2)c1 170050396 CTRMQBRUGJMEOF-QFIPXVFZSA-N 435.882 5.879 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@@H]2c2ccc(C)o2)cc1 170101125 MAWBUZLNDGIEAR-HXUWFJFHSA-N 441.842 5.172 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC)c3)[C@H]2c2ccc(C)o2)cc1 170101312 BWACPJIAURLPMX-HSZRJFAPSA-N 447.487 5.168 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccs2)c1C 170158965 JGAYWARBJSLOLJ-CMJOXMDJSA-N 445.540 5.471 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2cccs2)cc1 170161120 AREBHJHTZVATIK-QHCPKHFHSA-N 436.492 5.556 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccnc2)ccc1Cl 170191056 TVLSTEABVFFOQO-JOCHJYFZSA-N 448.906 5.225 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccccc1)c1ccc2c(c1)CCCO2 170223211 ALXXESBMVVKJEX-QHCPKHFHSA-N 447.437 5.073 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccccc2)c(OC)c1 170223710 ZBQSJDQRMQLILJ-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(Cl)cc1 170236879 SVBSXTZYPGJTKK-FQEVSTJZSA-N 446.330 5.523 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@@H]1c1ccc(C(C)C)cc1 170245235 BWWCYNMXPBWJLT-VWLOTQADSA-N 449.591 6.320 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2c2ccccc2)cc1 170265340 LKTXOPACFIPQAN-DEOSSOPVSA-N 427.500 5.349 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccco2)c1 170282789 UQRHGMJEGWVTJZ-QMHKHESXSA-N 429.472 5.003 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccc(C)o2)ccc1Cl 170305376 NQDJUUUWDOCHSG-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE COc1ccccc1N=CC1=C(c2cccs2)Oc2ccccc2[C@@H]1c1ccccc1C 252596056 CGGREFCLEAARCV-MHZLTWQESA-N 437.564 7.403 30 10 IKEE Cc1cccc(N2C(=O)/C(=C3\Sc4ccccc4N3C)SC2=Nc2ccc(F)cc2)c1 254846802 XGHFKLYZRCEBSE-GAUWVFOVSA-N 447.560 6.313 30 10 IKEE O=C1C(=Nc2cccc(Cl)c2)C[C@@H](c2ccc(Cl)cc2)N1c1cccc(Cl)c1 257352178 JQHPQOGMXVPYEK-NRFANRHFSA-N 429.734 6.898 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)cc1Cl)NCCC 406151688 BWSOPSVWZZZIHM-MSOLQXFVSA-N 445.829 5.483 30 10 IKEE C=C(COC(C)C)[C@@H](NCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 407126561 MSGDLYGEXYJEHU-GOSISDBHSA-N 427.383 5.428 30 10 IKEE CC(C)Oc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)cc2F)cc1 526710710 SBSGWLITMLRIOB-HSZRJFAPSA-N 449.453 5.535 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1cn(CC)c2ccccc12 526816701 LHZPKOUNBIJOLK-QFEZKATASA-N 438.000 6.033 30 10 IKEE CCCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1/N=C\c1ccccc1Cl 526827741 FQLKGHBVBAJUKT-OYKKKHCWSA-N 442.972 5.235 30 10 IKEE C=CCN(CC=C)C(=O)Nc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1 586663811 MXEFDDCDYHXMMK-UHFFFAOYSA-N 438.742 6.105 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(F)cc(Br)cc1F 689336372 IRPOILMUFFXEFZ-WBVHZDCISA-N 433.337 5.237 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1ccsc1Cl 698497926 PYSYJKMOPOZXIP-CQSZACIVSA-N 427.751 6.170 30 10 IKEE CC1(C)OB(c2ccccc2Cn2ccc3cc(OCc4ccccc4)ccc32)OC1(C)C 720926188 IGEHMQAWJSZCMW-UHFFFAOYSA-N 439.364 5.568 30 10 IKEE C/C=C1\C(=O)[C@H]2[C@@H](CC[C@@]3(C)[C@H]([C@H](C)CCC(=O)OC)CC[C@H]23)[C@]2(C)CC[C@H](O)C[C@H]12 725328066 SXDZXAFUWCERDJ-LMPIFSTISA-N 430.629 5.331 30 10 IKEE C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)ccc2OC)[n+]2ccc(CCC)cc2)c1 726573197 QDRBPQJOAAZPLK-UHFFFAOYSA-O 443.592 5.548 30 10 IKEE O=C(ON=C(c1ccncc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Oc2ccccc2)cc1 1083890392 CXBWLHKPLCOBLI-UHFFFAOYSA-N 439.427 5.392 30 10 IKEE CCCCCCCN(CCCCCCC)CN1C(=O)C(=Nc2ccccc2)c2ccccc21 1083946763 OPWVKQQZPGOWPZ-UHFFFAOYSA-N 447.667 7.354 30 10 IKEE COc1ccc(-c2ccccc2)cc1N/C(=N/Cc1ccc(CN)cc1)NC1CCCC1 1088684464 YESNPLIXKKMSCW-UHFFFAOYSA-N 428.580 5.321 30 10 IKEE O=C1/C(=C/C=C/c2ccccc2)SC(=NN=Cc2ccccc2O)N1Cc1ccco1 1772758008 WFGQLJVTJNJWQU-PSJMOIFJSA-N 429.501 5.048 30 10 IKEE N#Cc1ccccc1NC(=O)c1nn(Cc2ccccc2Cl)c(-c2ccccc2)c1Cl 1859383003 WZEUDJKORARUKL-UHFFFAOYSA-N 447.325 6.029 30 10 IKEE CC(C)c1cc(C(=O)Nc2sc3c(c2C#N)CCC3)c2cc(Br)ccc2n1 1859653552 RFJLGZHRBOEOPP-UHFFFAOYSA-N 440.366 5.795 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccc(Cl)cc2Cl)cc1 1862394317 LDDWKCOGMISLCU-OAQYLSRUSA-N 446.374 6.323 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1cccc([N+](=O)[O-])c1 1862419175 POCZCUUCWOADIG-HXUWFJFHSA-N 444.434 5.032 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862438133 HQWNGBXSGOPCHI-BBATYDOGSA-N 449.290 5.278 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc(Cl)c1)c1cccc(Cl)c1 1862446159 MERVWYFPZHTFAN-LJQANCHMSA-N 428.271 5.365 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2ccc(F)cc2F)cc1 1862477733 QEHPGQURMXCPRG-XMMPIXPASA-N 447.481 5.484 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2ccccc2F)ccc1F 1862501405 BQTBOYAJUUZGGC-XMMPIXPASA-N 447.481 5.484 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(C(C)C)cc1 1862504084 MAQHYWLVRNNNQQ-DEOSSOPVSA-N 437.555 6.416 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cccc(Br)c1 1862509684 NSJZNTKHJZURJP-BFUOFWGJSA-N 446.316 5.273 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc(OC)c(O)c2)cc1 1862531721 RVSLPBZDEGPLNB-MYRUOYEDSA-N 449.547 5.120 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(Cl)c(Cl)c1 1862551319 STTZUNAGKKCMBB-OAQYLSRUSA-N 442.342 5.637 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(C(C)C)cc1 1862608952 ZPWDVEYOLDBZSS-DEOSSOPVSA-N 449.547 5.206 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccc(F)c1 1862663748 WEMOLSBOAGXGSU-QHCPKHFHSA-N 439.527 5.343 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 1862669023 MQMURZUXYUDETC-QVKFZJNVSA-N 445.481 6.206 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(C)c2)cc1 1862674734 RYSJWBGARBHFAX-CJAUYULYSA-N 443.518 6.036 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2cccc(Cl)c2)c1 1862700119 BGUFDTNYJXPDBP-QPJICYPMSA-N 439.939 5.506 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(Cl)cc1 1862712711 XVHSSMIHBVUYNH-XMMPIXPASA-N 447.962 6.652 30 10 IKEE N#Cc1cc(Br)c(NC(=O)c2ccc(-n3cccc3)cc2)c(Br)c1 1866011776 CDJGOEGYWPWQMJ-UHFFFAOYSA-N 445.114 5.126 30 10 IKEE CC[C@](C)(NC(=O)C[C@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866743689 FBFNITCKYCJMSS-IGKIAQTJSA-N 433.596 5.735 30 10 IKEE C=CCn1cc(OCC(=O)Nc2cccc(Cl)c2C)c(=O)cc1CSC(C)(C)C 1870174160 NSJSNKLFOAGMLB-UHFFFAOYSA-N 434.989 5.045 30 10 IKEE C=CCOc1cn(Cc2ccccc2Cl)c(CSc2ccc(Cl)cc2)cc1=O 1870244472 RCUGEDVWYMZIJR-UHFFFAOYSA-N 432.372 6.061 30 10 IKEE CCCCCCCOc1cn(Cc2ccco2)c(CSCc2ccccc2)cc1=O 1870251898 WAAUDPMHDUBWPF-UHFFFAOYSA-N 425.594 6.272 30 10 IKEE CCCCCCCOc1cn(Cc2cccnc2)c(CNc2cccc(OC)c2)cc1=O 1870833885 YUFHGIOSMDKUPK-UHFFFAOYSA-N 435.568 5.262 30 10 IKEE C=CCn1cc(OCc2ccccc2)c(=O)cc1CNc1ccc(Oc2ccccc2)cc1 1870894542 HFXHJADNIZSQKY-UHFFFAOYSA-N 438.527 6.018 30 10 IKEE C=CCn1cc(OCc2c(C)noc2C)c(=O)cc1CNc1cc(Cl)cc(Cl)c1 1871010834 GRHOFUQPFUJKDH-UHFFFAOYSA-N 434.323 5.137 30 10 IKEE CCCCCCCCCCn1cc(OCCCC)c(=O)cc1CNc1ccc(CC)cc1 1871112796 UNRSYONLUDFIIV-UHFFFAOYSA-N 440.672 7.342 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccccc1Cl)O3)CN(CCCOC(C)C)CO2 1871346090 DBQWLXNUCYTFDV-MTJSOVHGSA-N 427.928 5.232 30 10 IKEE Cc1ccc(C)c(CN2COc3ccc4c(c3C2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C4=O)c1 1871348956 KZAPEGCLKKNSNW-MSXFZWOLSA-N 442.471 5.180 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc3c(c2C)O/C(=C\c2sccc2C)C3=O)CC1 1871382846 GNSRSVZLPUIZEM-JCMHNJIXSA-N 438.589 6.883 30 10 IKEE CCCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccs2)C3=O)c1 1871391010 KIDKVUJVQYELKD-STZFKDTASA-N 448.496 5.597 30 10 IKEE CCCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)c1 1871391505 ZTVILJMWRZMSDV-OYKKKHCWSA-N 442.467 5.536 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCCCOc4ccc(CC)cc4)ccc3C2=O)cc1 1871412817 FXXQBIQAIROLQB-IMRQLAEWSA-N 428.528 6.276 30 10 IKEE COc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4cccc(C)c4C)ccc3C2=O)cc1 1871413437 GSQOQXSLYZKMSL-BDFPJNNISA-N 443.499 5.334 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCCOc4ccc(OC)cc4)cc(C)c3C2=O)cc1 1871414425 GCFDWSBEAWWYFN-IWIPYMOSSA-N 432.472 5.086 30 10 IKEE Cc1cc(OCC(=O)Nc2ccccc2C(C)C)cc2c1C(=O)/C(=C/c1ccccc1F)O2 1871456045 JTNXMAYUZYACIT-CFRMEGHHSA-N 445.490 5.891 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1cccs1 1872089250 JZSAPIUZWMBKMJ-FQEVSTJZSA-N 434.627 5.075 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(Br)c3)n2)cc1 1872762394 LOKDVILFVURPDB-IBGZPJMESA-N 439.378 6.405 30 10 IKEE Cc1ccc(C)c(OCC(=O)[C@H](C#N)c2nc(-c3cccc4ccccc34)cs2)c1C 1872775426 QBUQTIRPVKXVNW-QFIPXVFZSA-N 426.541 6.144 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccc(Cl)cc3)n2)c1C 1872781302 RWFPHWLQQBQVDY-PXNSSMCTSA-N 438.980 6.341 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC(C)C)=C(c2cccc(Cl)c2Cl)C1=O 1873126624 WTBPJVVIRMWHPU-UHFFFAOYSA-N 439.427 6.212 30 10 IKEE C=CCSc1nnc(NC(=O)/C(=C/c2ccc(OC(C)C)cc2)c2ccccc2)s1 1873434617 GVAZNESAKQZJRR-HMMYKYKNSA-N 437.590 5.783 30 10 IKEE C=CCN=c1nc2c(cnn2-c2ccccc2)c(Nc2ccc(OCCCCCC)cc2)[nH]1 1873469888 LZRJAGIGPHAGNN-UHFFFAOYSA-N 442.567 5.538 30 10 IKEE CCCCCCCCCCNC(=O)c1cc2c(N3CCCCCC3)ncnc2n1CCC 1873574697 AOSDLTQTIOXRBL-UHFFFAOYSA-N 441.664 6.092 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3cc(Cl)ccc3Cl)c(=O)oc2c1C 1873947338 YZFRCKDRMHFSHQ-UHFFFAOYSA-N 446.330 5.853 30 10 IKEE Cc1ccc(Cc2nnc(SCCCO)n2/N=C/c2ccc(C(C)(C)C)cc2)cc1C 1874359288 ZIKFCOTYDXGJCN-YZSQISJMSA-N 436.625 5.140 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1cccc(Br)c1 1874367345 XUUHKTHRBSWFHG-SSDVNMTOSA-N 447.789 5.911 30 10 IKEE COc1ccc(/C=N/n2c(CCc3cccs3)nnc2SCc2ccc(C)cc2)cc1 1874369261 RHHXGGRRTKRCSO-PCLIKHOPSA-N 448.617 5.616 30 10 IKEE Cc1cccc(/C=N/n2c(COc3ccccc3)nnc2SCc2ccc(F)cc2)c1 1874383023 UJXSUKLLNJPBDF-CVKSISIWSA-N 432.524 5.479 30 10 IKEE Cc1cccc(CSc2nnc([C@@H](C)c3ccccc3)n2/N=C/c2ccc(O)cc2)c1 1874394345 KHYWUZVTJJLYEO-JHKMYFMNSA-N 428.561 5.618 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(O)cc1 1874394961 ZUTYJRTYIRVZFT-CIRUFVMISA-N 432.524 5.449 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCC)nnc2[C@@H](C)c2ccccc2)cc1OCC 1874397298 VQEUOVLQNSZAFH-WLXKGNRNSA-N 438.597 5.612 30 10 IKEE Cc1ccccc1NC(=O)CSc1nnc(CC2CCCCC2)n1/N=C/c1ccccc1 1874406992 ZUNXFLMSIBPMBV-YZSQISJMSA-N 447.608 5.322 30 10 IKEE Cc1cccc(CSc2nnc([C@H]3CCCO3)n2/N=C/c2c(Cl)cccc2Cl)c1 1874447978 QBNSKZGPRLXFIC-QVHMZZSFSA-N 447.391 5.919 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(CC)cc1 1874480449 XGXRMOMWNVXVRC-AFUMVMLFSA-N 447.435 6.664 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2cccc(F)c2)cc1 1874489266 JEFLEGYEYWXFAX-WGOQTCKBSA-N 440.588 5.969 30 10 IKEE CC(C)c1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccccc1[N+](=O)[O-] 1874515104 PVAZSUAWJFBDSD-LSHDLFTRSA-N 433.896 5.277 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)cc1 1874574843 IUELBOKOOZEPSG-FOCLMDBBSA-N 439.467 6.232 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(C)cc2)c1OCc1cccc2ccccc12 1874579425 MXBYNASPYVKASM-CCEZHUSRSA-N 442.942 7.285 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3cccc4ccccc34)c2)cc1F 1874597497 PYYHSTNTVVZGDJ-JLHYYAGUSA-N 442.486 6.471 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc([N+](=O)[O-])c1OCCCO 1874601439 LFCGJEKWJIBUJJ-NTEUORMPSA-N 447.487 5.318 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c([N+](=O)[O-])c2)cc1 1874613712 JFSQEYILJZKCNX-WLRTZDKTSA-N 448.431 5.377 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3ccccc3C)c(OC)c2)cc1F 1874621707 PTQVTXHWOAZQTH-PKNBQFBNSA-N 436.479 5.635 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OCc1cccc(Cl)c1 1874625201 QWRFPPOVELMLRI-BJMVGYQFSA-N 431.290 6.616 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OCc1ccccc1F 1874626663 QAXBCEYBZGHZRF-JLHYYAGUSA-N 434.507 6.325 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 1874627484 MJYQUOHTEPOOER-WEVVVXLNSA-N 429.806 6.002 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cc(OC)c(OCc3ccccc3)c(OC)c2)cc1C 1874636818 UHBSDCMSIVKDOL-VAWYXSNFSA-N 432.516 5.804 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1Cl 1874637021 DRMMKXXDOPFPPK-IZZDOVSWSA-N 447.745 7.131 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)cc(OC)c1OCC(=C)C 1874637268 QICQUNIJRMSOOW-CMDGGOBGSA-N 447.358 6.590 30 10 IKEE C=CCOc1c(Br)cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc1OCC 1874637780 RDEPXWKOYJTVQL-CMDGGOBGSA-N 445.353 5.934 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(Cl)s2)CSc2nnc(C(C)C)n21 1874858740 GCJUXKOILYNCMX-OAHLLOKOSA-N 441.066 6.179 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl 1875104852 REFXNTGROKHBDN-KPKJPENVSA-N 442.254 6.017 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)CC(C)(C)C 1875112208 XDCUMVSEEQGIBH-ZHACJKMWSA-N 435.347 6.630 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)c1cc2ccccc2n1C 1875134414 RSEWLDIRNGBOAZ-JLHYYAGUSA-N 439.511 5.919 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)c1ccncc1 1875134786 LHCYEUXBEVUPLT-SOFGYWHQSA-N 435.907 5.866 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)c1 1875137881 JJECAOQNTYLNFT-KPKJPENVSA-N 435.863 5.980 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)Cc1ccc(F)c(C)c1 1875140779 XHZQWSFXFXSOQX-FMIVXFBMSA-N 446.518 6.194 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)[C@@H](C)c1ccccc1 1875150416 MHHCXMOXZXQBMV-KDMTZKAISA-N 442.555 6.598 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc(OC)c1OC(=O)c1ccncc1 1875153368 CWAVJXKFQXPBIO-SOFGYWHQSA-N 447.462 5.082 30 10 IKEE COc1ccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2)cc1 1875157834 QNGKCZGTSODQFG-UBKPWBPPSA-N 434.463 5.495 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)c1sccc1C 1875175670 ATAGFPSOTNKGHC-SOFGYWHQSA-N 440.948 6.451 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)Cc1ccccc1Cl 1875184838 TUHHYECCSZZTST-PKNBQFBNSA-N 448.946 6.318 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cc(Cl)c(F)c(Cl)c3)cc21 1891303963 LIQNKCIMGXFODT-UHFFFAOYSA-N 437.298 5.322 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](O)c1cccc(Cl)c1Br 1922069218 OYOUZHQDYPYSJM-NHCUHLMSSA-N 438.793 5.277 30 10 IKEE C=C(COCc1ccccc1)C(=O)c1ccc(Br)cc1NC(=O)OC(C)(C)C 1922075626 YFJIWSDHWLKEGY-UHFFFAOYSA-N 446.341 5.752 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)NCC 1922117296 YTTUOZLIPIVAHL-OYDLWJJNSA-N 430.633 5.411 30 10 IKEE C=C(COCc1ccccc1)[C@@H](O)c1ccc(Br)cc1NC(=O)OC(C)(C)C 1922132239 HBVFCZZIBXLETF-HXUWFJFHSA-N 448.357 5.603 30 10 IKEE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1949712959 FPYSDBJQBBNPLY-WOJBJXKFSA-N 439.625 5.536 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@](C#N)(N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1)C2 1950027296 SHTKZUMJXQWOTR-FMKFIRIRSA-N 447.963 5.373 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C1 1997231351 UINHZSMLZGXDBU-UUOWRZLLSA-N 435.609 5.486 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@H](C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2021497968 PDGITEZCJOEEAY-RTBURBONSA-N 429.561 5.356 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@](C)(NC(=O)OC(C)(C)C)C1CCCC1 2024529695 MYGWBIKLUNJROP-OZXSUGGESA-N 430.633 5.601 30 10 IKEE C=CCC1(C(=O)Cc2cccc(Br)c2Cl)CN(C(=O)OC(C)(C)C)C1 2047923126 XJIGNHGAKYKBRS-UHFFFAOYSA-N 428.754 5.027 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1c(Cl)cc(F)cc1Br 2060546056 PCFYZBDAWOOEAN-ZDUSSCGKSA-N 435.721 5.040 30 10 IKEE CC(C)(C)[C@@H](c1ccc(C2CCC2)cc1)n1nc(C(F)F)c(C=NO)c1Br 2080012956 WMMKXYRGCCNRPY-QGZVFWFLSA-N 440.332 6.294 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]([C@](C)(C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)CC1 2082140884 SMMBFUQSBZTXOD-CEYNDMKZSA-N 449.636 5.922 30 10 IKEE CCCN[C@@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)C1CCCC1 2086672937 SYQHLKHULWDOOF-NDEPHWFRSA-N 432.656 5.073 30 10 IKEE C#CCN(C[C@@H](NCCC)c1ccc(Cl)c(Br)c1F)C(=O)OC(C)(C)C 2097183865 KZPPZWGICDOJFO-OAHLLOKOSA-N 447.776 5.153 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCC)c2c(F)cccc2Br)C1 2126629237 FTNISBIDZJNMQB-QGZVFWFLSA-N 427.358 5.100 30 10 IKEE C=CCCCCC[C@H](NCC)[C@H](O)c1cc(Br)c(Br)s1 2147717283 GYSBUEFOPSRZMO-JSGCOSHPSA-N 425.230 5.421 30 10 IKEE Brc1csc(CN=C2N[C@H](c3ccccc3)CS2)c1Br 2150561078 FFACZAMKRACVNT-NSHDSACASA-N 432.206 5.207 30 10 IKEE CCCN(C[C@H]1CCCCN1C(=O)OC(C)(C)C)c1cccc(Br)c1C#N 2174813512 XEYPZSNUMQUWMR-MRXNPFEDSA-N 436.394 5.327 30 10 IKEE C=C[C@@H](C)C[C@H](NCC)c1sc(Br)c(Br)c1Br 2216492612 PTADTJPGSNJMCD-SFYZADRCSA-N 446.046 5.898 30 10 IKEE CC(C)(C)OC(=O)Nc1cc([C@H](O)C#Cc2ccccc2Br)ccc1Cl 2227487087 ZEJGUYITBSYIBZ-GOSISDBHSA-N 436.733 5.535 30 10 IKEE Cc1ccc(Br)c([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)c1 2228068815 FQUFWRYMUFKBEP-SFHVURJKSA-N 435.749 6.417 30 10 IKEE CN[C@@H](C#Cc1ccccc1Br)c1ccc(NC(=O)OC(C)(C)C)c(Cl)c1 2235733399 UKPICXTULASKEO-SFHVURJKSA-N 449.776 5.762 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1C[C@H]2CCC[C@H]1N2C(=O)OC(C)(C)C 2252696378 IHDTVIGEXCQNBK-UEQSERJNSA-N 428.617 5.306 30 10 IKEE Cc1c(Br)sc([C@@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)c1C 2254664230 GEEACGSQZQFMTP-CQSZACIVSA-N 441.416 6.191 30 10 IKEE C=C(COC)[C@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2263063910 XZNQNULQQPJBLT-MHZLTWQESA-N 433.548 5.064 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)c1cc(Cl)cc(Br)c1 2275151492 SUCUVPQRZLWKQW-HXUWFJFHSA-N 439.733 5.408 30 10 IKEE CC1(C)OB(c2cc(C(=O)Nc3c(Cl)cc(Cl)cc3Cl)cs2)OC1(C)C 2282624455 WUEUABWFBFUKOW-UHFFFAOYSA-N 432.565 5.260 30 10 IKEE Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=S)Nc2ccc(F)cc2)cc1 2296404895 AYDWLYJGXVXWGX-UHFFFAOYSA-N 429.524 5.307 30 10 IKEE Cn1c(-c2ccccc2)cc2c(NC(=CC(=O)c3ccccc3)c3ccccc3)cccc21 2296651239 PPRCXVMOILONQV-UHFFFAOYSA-N 428.535 7.181 30 10 IKEE Cc1ccc([C@H]2C(=C(O)c3ccc(C)o3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 2297056942 AYBPWPNXBJNANW-FQEVSTJZSA-N 448.475 5.272 30 10 IKEE O=C1C(=Cc2cccc(Br)c2)SC(=Nc2ccccn2)N1c1ccccc1 2314541123 FKETUZOXUNYQAB-UHFFFAOYSA-N 436.334 5.653 30 10 IKEE C=CCOc1ccccc1C=Nn1c(C)nnc1SCc1ccc(Cl)cc1Cl 2321185152 PYDLLBBNKSWPPF-UHFFFAOYSA-N 433.364 5.633 30 10 IKEE Cc1cc(OCc2c(F)cccc2Cl)cc2c1C(=O)C(=Cc1ccc3c(c1)OCO3)O2 2321805162 WKWUNAAFEHTMLX-UHFFFAOYSA-N 438.838 5.711 30 10 IKEE CC(C)(C)Oc1ccc(CN2COc3ccc4c(c3C2)OC(=Cc2ccco2)C4=O)cc1 2321908288 ZMVYAWQSSXHJPB-UHFFFAOYSA-N 431.488 5.425 30 10 IKEE CCc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccccc2OC)C4)cc1 2321993891 LTTCJQBIXRFFIE-UHFFFAOYSA-N 441.527 5.534 30 10 IKEE CC[C@@H](C)N1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(-c2ccccc2)cc1)C3=O 2322092146 BQTOMNXOUMREPD-LJQANCHMSA-N 425.528 6.229 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccccc1OC 2322479024 YFPSSEVFPOFVHJ-UHFFFAOYSA-N 445.559 5.772 30 10 IKEE CCCOc1c(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(Br)cc1OC 2322843448 RLYGHNKGNBLXHQ-UHFFFAOYSA-N 431.370 6.376 30 10 IKEE COc1cc(C=NNc2ccc(C)c(C)c2)ccc1OCc1c(Cl)cccc1Cl 2322922308 DEXHIQUJWQLYEZ-UHFFFAOYSA-N 429.347 6.644 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)C=Cc1ccc(C(C)C)cc1 2323231281 GFGWNWYIXZDCJW-VWLOTQADSA-N 428.661 6.365 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OCC(=O)Nc1c(C)cccc1C 2323280033 CKLXZPJSTLVFTO-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccc(Br)cc1)C2=O)c1cccc(F)c1 2323289057 MKBSASGZGMDORJ-UHFFFAOYSA-N 439.236 5.424 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OCc1ccc(Cl)cc1 2323437648 GHSNQUTXNHZAFM-UHFFFAOYSA-N 432.947 6.703 30 10 IKEE Cc1cc(OC(=O)c2ccc(-n3cccc3)cc2)cc2c1C(=O)C(=Cc1ccccc1F)O2 2323675727 LEOFWRFCCDEQFM-UHFFFAOYSA-N 439.442 5.760 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OCC(=O)Nc2cccc(C)c2)c(Cl)c1 2323701489 RJYKXKMGONPLHH-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OC(=O)CCc3ccccc3)cc(C)c2C1=O 2323724324 ZGQGCLYEYOQHBH-UHFFFAOYSA-N 428.484 5.548 30 10 IKEE CCCNC(=O)COc1c(Cl)cc(C=CC(=O)c2ccc(Cl)cc2)cc1OCC 2323791467 KJCHOJOOKYGYQR-UHFFFAOYSA-N 436.335 5.193 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(C)cc3)cc2OC)cc1 2323921248 IMUXBXVQNVQZJE-UHFFFAOYSA-N 429.516 5.480 30 10 IKEE Cc1c(O[C@@H](C)C(=O)OC(C)C)ccc2c1OC(=Cc1ccccc1Br)C2=O 2324305499 UCHWGFAAMBORRI-AWEZNQCLSA-N 445.309 5.093 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(O[C@H](C)C(=O)Nc4ccc(C)cc4)c3C)C2=O)c1 2324379269 QDPSRQWEPDGHAP-GOSISDBHSA-N 443.499 5.334 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(OC)c(OC)c3)n2)cc1C 2324406291 CQUGBHWEGHQHKI-SFHVURJKSA-N 434.517 5.034 30 10 IKEE Cc1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccncc2)C3=O)c1C 2324504817 FVOBCIKXILXDGT-GOSISDBHSA-N 428.488 5.029 30 10 IKEE CCOc1ccccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccccc1)C2=O 2324896972 YSVVDKMNPAZKBC-UHFFFAOYSA-N 429.472 5.027 30 10 IKEE COc1cccc(C=C2Oc3cc(OCCC(=O)Nc4ccc(C)cc4)cc(C)c3C2=O)c1 2325227393 OOSHDHORKHAGNO-UHFFFAOYSA-N 443.499 5.336 30 10 IKEE Cc1cc(OCCC(=O)Nc2ccccc2)cc2c1C(=O)C(=Cc1ccc(Cl)cc1)O2 2325480057 OKNIOPAZMYMLLH-UHFFFAOYSA-N 433.891 5.672 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc(C)cc1 2325535477 GWOFAUHHVIQMDJ-UHFFFAOYSA-N 433.408 6.410 30 10 IKEE Cc1cc(C(=O)C=Cc2cccc(OC(=O)c3cccc(Br)c3)c2)ccc1F 2325741863 LZVZXZQIBPJNMZ-UHFFFAOYSA-N 439.280 6.012 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1OC(=O)c1cccc(C)c1 2325772468 ACKGJSODLURRMB-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE CCCSc1nnc(COc2ccccc2OC)n1N=Cc1ccccc1OC(C)C 2328299451 XMKREFUQDPLESS-UHFFFAOYSA-N 440.569 5.037 30 10 IKEE Cc1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2-c2ccccc2Cl)cc1 2329554106 UHVHQARILTZLHY-UHFFFAOYSA-N 436.943 6.221 30 10 IKEE Cc1ccc(CSc2nnc(CCc3cccs3)n2N=Cc2cccc(O)c2)cc1 2329631926 PIUJTVKFXAGRFB-UHFFFAOYSA-N 434.590 5.313 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2)n1N=Cc1ccc(F)cc1F 2330103706 WCLQCVBZONBGHB-QGZVFWFLSA-N 434.515 5.883 30 10 IKEE COc1ccc(C=Nn2c(Cc3cccs3)nnc2SCc2cccc(C)c2)cc1 2330345169 UUSLRUSDAVLNMW-UHFFFAOYSA-N 434.590 5.422 30 10 IKEE C=CCSc1nnc(Cc2ccccc2)n1N=Cc1ccc(OCCCC)c(OC)c1 2330498462 DHUNVTMGWJJNBL-UHFFFAOYSA-N 436.581 5.217 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccccc3)n2N=Cc2ccccc2[N+](=O)[O-])c1 2330645710 PKDRNPPNAUBQDM-UHFFFAOYSA-N 429.505 5.336 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2)n1N=Cc1ccc(OCCC)c(OCC)c1 2330670805 KZCQZTVALYYJMF-UHFFFAOYSA-N 436.581 5.683 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2Cl)cc1 2331020540 WPAYGRSYFKBXHD-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE COc1ccc(C(=O)Oc2c(OC)cc(C=CC(=O)c3cc(C)ccc3C)cc2OC)cc1 2331318211 HMSFPJWZTMCOMM-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)Cc1cc(C)ccc1C 2331326215 MPZACGFFWIUOIS-UHFFFAOYSA-N 442.555 6.363 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cc(Cl)ccc2Cl)cc1)c1ccc2c(c1)OCO2 2331432525 DEKJJSAAZUEIBA-UHFFFAOYSA-N 441.266 5.837 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3cccc4ccccc34)cc2)cc1 2331470215 TVHBEEXJCOPXNE-UHFFFAOYSA-N 434.535 6.837 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)c1ccc(F)cc1 2331630728 KSOWURJYDSKGCH-UHFFFAOYSA-N 434.463 5.575 30 10 IKEE C[C@@H](Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)c1cnn(Cc2ccccc2)c1 2339537787 XQFLLUPEIJITQV-JKIKYLSZSA-N 430.361 5.144 30 10 IKEE CCCN[C@H](C#Cc1nc(C)cs1)c1cc(Br)sc1Br 2363727228 HCIYRNCOLZMUFC-LLVKDONJSA-N 434.222 5.130 30 10 IKEE C=CCC(CC=C)[C@@H](NC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2364014551 XZMFFWPTFUSHRR-VQTJNVASSA-N 437.422 5.241 30 10 IKEE C=CCCCCCC[C@@H](NCCC)c1sc(Cl)cc1I 2366653822 QHBYEDWOTVGXQB-CQSZACIVSA-N 425.807 6.573 30 10 IKEE CC(C)(C)OC(=O)N[C@@]1(C)C[C@H]2CC[C@H]1C[C@]2(C#N)Nc1ccccc1Br 2381198508 VWIIMMUZDQMLKE-XSRQCEPYSA-N 434.378 5.227 30 10 IKEE O=C(/C=C/c1nnsc1N1CCC(Cc2ccccc2)CC1)c1ccc2ccccc2c1 13517512 SUHNYIGYHJNVSM-OUKQBFOZSA-N 439.584 6.047 30 10 IKEE C=CCN1C(=O)[C@H](CC(=O)c2ccc(Cl)c(C)c2)S/C1=N\c1ccc(Cl)cc1 15055385 VRTXUIIZYNZSQQ-SWAHWVACSA-N 433.360 5.692 30 10 IKEE Cc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C(C)(C)C)cc2)C3)c1 20882298 QFEJDIRQXATJGI-MNNSJKJDSA-N 436.599 7.272 30 10 IKEE Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC(C)C)cc2)C3)o1 20883638 BOUDWWICOHOTDM-PPHZAIPVSA-N 428.532 6.355 30 10 IKEE O=C1C[C@@H](c2ccccc2Cl)CC2=C1[C@H](c1ccccc1[N+](=O)[O-])Nc1ccccc1N2 21226108 AOQQVNYPBUQCOH-MQNRADLISA-N 445.906 6.228 30 10 IKEE Cc1noc2c1[C@@H](c1ccc(Br)cc1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 28051614 HYLJVUKIDKABHT-IIBYNOLFSA-N 435.321 5.704 30 10 IKEE CCn1nc(C)c(CCN/C(=N/C(=O)c2ccc(C)c(F)c2)Nc2cccc(C)c2C)c1C 32973390 AJGLQSPMCGJZOF-UHFFFAOYSA-N 449.574 5.025 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O)c1ccc(F)cc1 38321010 IGQNQQWXTHKCLV-JJFYIABZSA-N 443.257 6.010 30 10 IKEE Cc1c(C(=O)c2sc3ccccc3c2Cl)c(O)n(C2CCCCC2)c(=O)c1C#N 38618169 DHAQVEGHQGUBJZ-UHFFFAOYSA-N 426.925 5.338 30 10 IKEE Cc1cc2c(cc1C)C(=O)/C(=C/c1cn(-c3ccccc3)nc1-c1ccc([N+](=O)[O-])cc1)O2 39842696 DRSWTXHVXIJWDC-OYKKKHCWSA-N 437.455 5.681 30 10 IKEE C/C(=C1/S/C(=N/c2cccc(C(=O)O)c2)N(C2CCCCC2)C1=O)c1ccc(O)cc1 39866879 MHXQOJBMWCAAIF-AULJNTNUSA-N 436.533 5.417 30 10 IKEE Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1/C(=N/Nc1ccc(F)cc1)CCC2 40823862 NCELTZLJFXEQPC-OGLMXYFKSA-N 434.496 5.742 30 10 IKEE Cc1cc(O)c(CN(C)Cc2ccccc2)c2c1C(=O)/C(=C/c1cn(C)c3ccccc13)O2 41514631 BMXNQPQNYSZFBS-QFEZKATASA-N 438.527 5.441 30 10 IKEE COc1cccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3ccc(F)cc3)C4)C2=O)c1 41587509 DNIQPTCPTMMHTK-KSEXSDGBSA-N 431.463 5.111 30 10 IKEE C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3cc(Cl)c(OC)c(OCC)c3)c12 96925856 NTSBTSRKQZNXBO-QXMHVHEDSA-N 449.938 5.740 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)[C@H](C)Oc1ccccc1[C@H](C)CC 100235895 KSXXQXSXCGORCN-FTJBHMTQSA-N 445.732 8.565 30 10 IKEE C=CCN1C(=O)/C(=C/c2c[nH]nc2-c2ccccc2)S/C1=N/c1nc2ccccc2s1 101021704 WZGRRXMAOFRWTB-QHTMYDGDSA-N 443.557 5.476 30 10 IKEE CCCCCCCCCCn1c(CCNC(=O)COc2ccccc2)nc2ccccc21 102141985 URUCIDMWNSHNGK-UHFFFAOYSA-N 435.612 5.915 30 10 IKEE CCCCCCCCCn1c([C@@H]2CC(=O)N(CCc3ccccc3)C2)nc2ccccc21 102214705 CHPYJLQJYCHGRA-XMMPIXPASA-N 431.624 6.346 30 10 IKEE CCOc1ccc(/N=C2\NC(=O)S\C2=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 110569714 VJCAIROIHNQSLU-DEDYPNTBSA-N 435.461 5.781 30 10 IKEE C=C1C(=O)C[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CC[C@H](C)C(C)(C)O 148641196 VJDIEVNLNBFADS-CAPURZJFSA-N 428.657 6.159 30 10 IKEE CCOc1c(Cl)cc(/C=N\Nc2nc(-c3c(C)cc(C)cc3C)cs2)cc1Cl 169942073 OOKQRDJLAYFUQQ-VROXFSQNSA-N 434.392 6.887 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(N(C)C)cc2)ccc1F 169956985 GFHCOZSDRDSNNF-HSZRJFAPSA-N 436.527 5.111 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccc(O)cc2)cc1 169959344 HWNCTWWVZSTTRA-SANMLTNESA-N 449.506 5.891 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccc(O)cc2)c1 169963685 NICUYVUMBDVIAD-JOCHJYFZSA-N 435.426 5.070 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(Cl)cc2)cc1 170059369 KLOHQFVIKHKEMQ-QFIPXVFZSA-N 432.907 5.076 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@H]2c2ccc(F)cc2)cc1 170065634 CUXAQWYCBRVKNW-QFIPXVFZSA-N 441.462 5.047 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccccc2F)cc1 170070116 NLXWBJREGKCEQB-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2cccs2)c1 170156021 CGLCVURRXMSIBO-JOCHJYFZSA-N 428.513 5.629 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C(C)(C)C)ccc3C)[C@@H]2c2cccs2)c1 170156680 FSFRNRBMPQKZCB-QHCPKHFHSA-N 445.584 6.445 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccs2)c1 170159273 VYIBCOIYHWJHSN-IBGZPJMESA-N 425.893 5.193 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccs1 170159987 KLFRZPIFXACCLP-QHCPKHFHSA-N 441.508 5.693 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@@H]1c1cccs1 170165609 NYZKSESJRMFMLV-NRFANRHFSA-N 427.566 5.649 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1cccnc1 170186401 HOVOOQDVMQEXGN-QHCPKHFHSA-N 442.515 5.176 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2ccccc2)cc1C 170225303 MWWBUAROVFBRAB-XMMPIXPASA-N 425.484 5.021 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccc(F)cc2)cc1 170239276 RHDWYWXVZDCMQW-QHCPKHFHSA-N 447.462 5.101 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cc(C)cc(C)c3OC)=C(O)C(=O)N2c2ccccc2)cc1 170265390 FSRSAPLKEDTBQY-DEOSSOPVSA-N 441.527 5.657 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1sccc1C 170317681 RFTJTSVHKWSQNA-IBGZPJMESA-N 429.513 5.115 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1sccc1C 170319430 QTKWVQNCYGTDIS-NRFANRHFSA-N 441.593 5.921 30 10 IKEE C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CCC)c1 170324399 XSASVEKSPGXKPV-DEOSSOPVSA-N 449.547 5.275 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(O)c(Cl)c2)cc1 170367614 IRPDHFRITZQNTG-FQEVSTJZSA-N 439.920 5.452 30 10 IKEE COc1ccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cccc(Cl)c2C)cc1OC 170434263 RLQWKMBRXVKVBC-FQEVSTJZSA-N 443.927 5.181 30 10 IKEE COc1ccc(C=NN=C2SC(=N/C(C)(C)C)/C(=N/C(C)(C)C)N2c2ccccc2)cc1 252621732 NFRLCTNVQZPKGY-YSEQFCJOSA-N 449.624 6.033 30 10 IKEE CC[C@H](C)Oc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccccc1)C2 253566044 IMAUOVYJEXBFTF-XPXNCJDLSA-N 438.571 6.843 30 10 IKEE COc1ccccc1[C@@H]1C(c2cccc3ccccc23)=C(O)C(=O)N1c1cccc(C#N)c1 526518794 BPSZARRFQATISH-AREMUKBSSA-N 432.479 5.777 30 10 IKEE COc1cccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccccc2Cl)c1 526816434 CKPKOHALNSRSOO-QQXSKIMKSA-N 448.979 5.705 30 10 IKEE CCCCCCCC[C@H](O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 695814820 GCNCQDDXMLOKFB-QHCPKHFHSA-N 432.649 5.657 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)C1(C#N)CCC(C2CCC2)CC1 698458740 UGSKIOFVQCKJOS-UHFFFAOYSA-N 433.390 6.443 30 10 IKEE C=CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1ccc(Br)c(Br)c1 698949273 ZTOHFJBBMMPQAO-CQSZACIVSA-N 430.140 5.199 30 10 IKEE C[C@H]1N(C(=O)OC(C)(C)C)CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 710723841 FUEKXPANSWUYGT-MWTRTKDXSA-N 449.979 5.763 30 10 IKEE CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@H](C)CCC1=CC(=O)C2=C(CCCC2)C1=O 888085819 SAISHJPILDBUDU-GVAUOCQISA-N 442.728 8.791 30 10 IKEE CC(=NNc1nc(S[C@@H](C)c2nnc(C3CCC3)o2)n[nH]1)C12CC3CC(CC(C3)C1)C2 1083907004 HBYRDZPCJFGBFR-WJNAQJJZSA-N 441.605 5.313 30 10 IKEE CN1C(=O)C[C@H](C(=O)Nc2ccccc2Cl)SC1=Nc1cc(Cl)cc(Cl)c1 1084463567 IRZMROUNKLKNKJ-OAHLLOKOSA-N 442.755 5.237 30 10 IKEE Fc1ccc(C=Nc2cc(-c3ccc(Br)cc3)[nH]n2)cc1Oc1ccccc1 1084559346 KDIUHSNADMLXOB-UHFFFAOYSA-N 436.284 6.521 30 10 IKEE C=CCC[C@H](NC(=O)N[C@H](COC(=N)O)Cc1ccccc1)c1ccc(C(F)(F)F)cc1 1469492090 SIPMEJFZHLOOPQ-PMACEKPBSA-N 449.473 5.133 30 10 IKEE C=CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(CC)Cc1cccs1 1690460823 NSZVRJIKVQANEU-UHFFFAOYSA-N 434.569 5.038 30 10 IKEE O=C(O)c1cccc(N=C2S/C(=C\c3cccc(Cl)c3)C(=O)N2C2CCCCC2)c1 1772734314 DUFPFOCMVKKHQE-QUXILYDTSA-N 440.952 5.975 30 10 IKEE CC(C)Cc1nc2ccc(C(=O)Nc3ccc(C(=O)Nc4ccccc4C#N)cc3)cc2[nH]1 1860880033 LUQJHRZJLRIOHA-UHFFFAOYSA-N 437.503 5.138 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(CCCC)cc3)=C(O)C(=O)N2C(C)C)cc1 1862394274 KMPNBBBTQYEMJT-RUZDIDTESA-N 449.591 6.195 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2cccc3ccccc23)cc1C 1862405821 UACCQWACGAGWII-VWLOTQADSA-N 443.543 5.781 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccccc1F 1862443411 PEXKSCMMEXTOOJ-OAQYLSRUSA-N 445.918 5.264 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(OC)c(O)c1 1862448372 LZMSLKRDGOQZET-NRFANRHFSA-N 443.927 5.213 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862477772 RJRKZKLYCOFDEU-RUZDIDTESA-N 436.511 5.563 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 1862480111 XZZBSVGHJSCAIR-QHCPKHFHSA-N 435.564 5.296 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccccc2Cl)c1 1862491697 ZABCLUVTNTUPAZ-KOSHJBKYSA-N 445.946 6.296 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 1862529472 GTZZCWKRYMRHHS-XMMPIXPASA-N 445.490 5.045 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862532954 FZXOXINQJYGPAE-HSZRJFAPSA-N 442.540 5.570 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(C(C)C)cc1 1862546520 ZEJNNEXXBVHMKC-RUZDIDTESA-N 431.576 5.923 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2cccc(O)c2)cc1 1862613623 LLPQHFPSKHZLNL-XMMPIXPASA-N 441.527 5.468 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2cccc3ccccc23)cc1 1862619843 DBRXSPUJFAQXIM-XMMPIXPASA-N 425.528 5.878 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862622842 ITCDXUQWUZYTTH-FQEVSTJZSA-N 444.358 6.055 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CC)cc1 1862647098 VHYMNSNUTKOTSP-JOCHJYFZSA-N 441.499 5.002 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(C(C)C)cc2)cc1 1862660211 GVKGAVCFTNNIOY-ZCYQVOJMSA-N 447.575 5.691 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2cccc(F)c2)cc1 1862661395 BADHUGVSNAUBLV-VWLOTQADSA-N 447.550 6.418 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(Cl)cc1Cl 1862667770 JOHIUXUNVZULLG-NRFANRHFSA-N 446.374 6.495 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)c1 1862713807 XDIBZGPXDJVGEH-VFHOHQAYSA-N 439.555 6.305 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1C(=O)O 1862714099 DSXGSYMYJJQIKL-QHCPKHFHSA-N 443.499 5.162 30 10 IKEE Cc1cccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(Cl)c(Cl)c3)C2=O)c1 1862909437 OZFGOJBNPDGRJA-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE N#Cc1ccccc1NC1=C(c2ccccc2Cl)C(=O)N(CCCc2ccccc2)C1=O 1863452372 JWBGPUQKQWRMGG-UHFFFAOYSA-N 441.918 5.036 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(Cl)cc2)=C(c2c[nH]c3ccccc23)C1=O 1863489961 CISZNPWAOJKYGO-UHFFFAOYSA-N 449.982 6.374 30 10 IKEE C=CCN1C(=O)C(Nc2cc(C(F)(F)F)ccc2Cl)=C(c2c[nH]c3ccccc23)C1=O 1863501564 MPSKEUATNSUFGD-UHFFFAOYSA-N 445.828 5.218 30 10 IKEE CCOC(=O)c1sc(NC(=O)[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)c(C#N)c1C 1865877609 FUKYLLJAXLEKIJ-CQSZACIVSA-N 441.940 5.298 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1cc(C(=O)OC)ccc1C 1866029764 GIVKODYECIWNLT-UHFFFAOYSA-N 431.661 7.982 30 10 IKEE COc1cccc(C(=O)/C=C/C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1 1866233211 TURWKHSHBRAXHF-OUKQBFOZSA-N 428.513 5.658 30 10 IKEE Cc1ccc([C@@H](C(=O)N[C@H](C(=O)Nc2ccccc2C#N)c2ccccc2)C(C)C)cc1 1866958821 BEZXGGNOAOHHLT-DQEYMECFSA-N 425.532 5.103 30 10 IKEE CCCCCCCCn1cc(OCCCCCCC)c(=O)cc1CNc1ccccc1C 1870836651 OTBZXGJLKJSYLH-UHFFFAOYSA-N 440.672 7.479 30 10 IKEE CCCCCCCOc1cn(CCN(CC)CC)c(CNc2ccc(Cl)cc2)cc1=O 1870837422 FOFSROAZNZEWME-UHFFFAOYSA-N 448.051 5.805 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)cc2)c(=O)cc1CNc1ccc(C(F)(F)F)cc1 1870861688 PDIXXTGPZTVPJP-UHFFFAOYSA-N 448.872 5.898 30 10 IKEE C=CCn1cc(OCc2cccc(F)c2)c(=O)cc1CNc1ccc(Cl)c(Cl)c1 1871062691 LPQCVOXRQABUJM-UHFFFAOYSA-N 433.310 5.671 30 10 IKEE Cc1c(OC(=O)COc2ccccc2)ccc2c1O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871364896 YTOGLYYEDMGACC-IWIPYMOSSA-N 428.484 5.719 30 10 IKEE Cc1cc(OC(=O)/C=C/c2ccc(Cl)cc2Cl)cc2c1C(=O)/C(=C/c1ccco1)O2 1871378292 FCXVJBUETLLQHE-QBEBGYDGSA-N 441.266 6.130 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OC(=O)/C=C/c4cccs4)cc(C)c3C2=O)c1OC 1871381504 YFPPZNHOGGCHGT-SOFGKXIESA-N 448.496 5.309 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OC(=O)c3cccc(OC(C)C)c3)c2C)C1=O 1871388098 ICLHJEVIBFRVDB-IWIPYMOSSA-N 428.484 5.926 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871389552 BNTMEXBYKNHOEP-UCQKPKSFSA-N 432.859 5.740 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1sccc1C)C2=O 1871424697 SZCRDSDJIYCJJQ-BKUYFWCQSA-N 447.556 5.869 30 10 IKEE Cc1cc(OCC(=O)Nc2c(F)cccc2F)cc2c1C(=O)/C(=C/C=C/c1ccccc1)O2 1871440774 HLPSEMUDWWKOEG-SJBQCXTDSA-N 447.437 5.463 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(Cl)cc4)ccc3C2=O)cc1 1871441123 YZDWVMFJGAVVKC-CFRMEGHHSA-N 447.918 6.097 30 10 IKEE CCOc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2sccc2C)C3=O)cc1 1871452146 HHZVAYZNOWRKFT-BKUYFWCQSA-N 449.528 5.397 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O)Nc1cccc(Cl)c1 1871454850 WONLPSLYHWHNSK-FBHDLOMBSA-N 440.282 5.627 30 10 IKEE CCCCCCCCN=c1nc(N(CCC)CCC)[nH]c(=Nc2cc(Cl)ccc2C)[nH]1 1871514131 PEVQMWGUCYBBJH-UHFFFAOYSA-N 447.071 5.820 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccccc1)S(=O)(=O)c1cc(C)ccc1C 1872137535 XSHYVZPGRVREEW-QFIPXVFZSA-N 428.598 5.068 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cccc(Cl)c1C)[C@H](C)CC)S(=O)(=O)c1ccccc1 1872438094 KYUTZBDHFPETGK-VGOFRKELSA-N 449.016 5.269 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1C(C)C)C(C)C)S(=O)(=O)c1ccc(C)cc1 1872438578 ONPYKPXCANRTCD-XMMPIXPASA-N 442.625 5.349 30 10 IKEE CCCCCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccccc3Cl)cs2)cc1 1872764160 FHANNTSFSHVDCX-FQEVSTJZSA-N 438.980 6.913 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccc(Cl)cc3)n2)cc1C 1872765408 ODZDYDWTHYUKCB-RDTXWAMCSA-N 426.925 5.424 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccc(Cl)cc3)n2)cc1C 1872765409 OEXZQJMGNMPXPU-IBGZPJMESA-N 440.952 5.816 30 10 IKEE COc1ccc(OC)c(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1 1872769821 YNRNTCFTONTYJM-OAHLLOKOSA-N 447.343 5.553 30 10 IKEE CC(C)COc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)c1 1872773762 XSRNUNDVYZPYOZ-LJQANCHMSA-N 434.517 5.106 30 10 IKEE CCCCCCCCNC1=C(c2c(C)cc(C)cc2C)C(=O)N([C@H]2CCCC[C@@H]2C)C1=O 1873120890 JHIMTXVMILJZKK-REWPJTCUSA-N 438.656 6.221 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1cccc(C)c1C)n2CC(C)C 1873620985 FETJLXIGJOVBJS-UHFFFAOYSA-N 449.643 6.729 30 10 IKEE CCCCCCCCCCNC(=O)c1cn(C2CC2)c2c(OC)c(F)c(F)cc2c1=O 1873935213 LUENLVYTNSUVGT-UHFFFAOYSA-N 434.527 5.494 30 10 IKEE CCCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1/N=C/c1ccccc1 1874196250 AGYMOWOTXINXSU-PCLIKHOPSA-N 438.597 5.548 30 10 IKEE CSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1cccc2ccccc12 1874215019 RJJBMDFFOHLFMC-PCLIKHOPSA-N 436.968 5.700 30 10 IKEE C=CCSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1cc(C)ccc1O 1874226486 NMLHXXUWENYSGJ-PCLIKHOPSA-N 436.581 5.081 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCC=C)n1/N=C/c1cccc(Cl)c1 1874228453 KCYFBRUFIHCLBV-BUVRLJJBSA-N 440.956 5.236 30 10 IKEE CCCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1cccc(Cl)c1 1874247829 YOMIEQBTVHUENU-LFVJCYFKSA-N 428.989 5.636 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1cccc(OCC)c1 1874264095 GNTUUWQISUAZKP-OEAKJJBVSA-N 428.945 5.070 30 10 IKEE C=C(C)CSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(O)c(OC)c1 1874269528 AVMNWVFBSVFZJS-CVKSISIWSA-N 444.560 5.287 30 10 IKEE C=C(C)CSc1nnc(COc2c(C)cccc2C)n1/N=C/c1cccc(Cl)c1 1874299888 XYZJUSMPSAESIY-WYMPLXKRSA-N 426.973 5.678 30 10 IKEE C=CCSc1nnc(COc2cccc(C)c2C)n1/N=C/c1ccccc1OCCC 1874324714 UHTJNZQVRDPXAE-PCLIKHOPSA-N 436.581 5.423 30 10 IKEE Cc1ccc(OCc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccccn2)c(C)c1 1874327674 WHUIEGRTGYEPJN-MZJWZYIUSA-N 447.539 5.183 30 10 IKEE Fc1ccccc1CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1cccnc1 1874342337 KZDMOCCBWOPSOJ-VULFUBBASA-N 437.931 5.231 30 10 IKEE Cc1cccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2cccc(Cl)c2)c1 1874406132 BKMOMQOIDNINDF-WGOQTCKBSA-N 439.028 6.537 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2cccc3ccccc23)cc1 1874415145 APGYBKODDYYTIE-VUTHCHCSSA-N 448.595 6.505 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3cccs3)n2/N=C/c2ccccc2C(=O)O)c1 1874422513 QCOWTBLMGDKGPP-ZMOGYAJESA-N 448.573 5.496 30 10 IKEE Cc1ccccc1CSc1nnc(CC(C)(C)C)n1/N=C/c1ccc(C(F)(F)F)cc1 1874436576 HWGBLYMJSVMZRE-MZJWZYIUSA-N 446.542 6.368 30 10 IKEE CCCSc1nnc([C@H]2CCCO2)n1/N=C/c1ccc(OCc2ccccc2C)cc1 1874448414 AZSOZMKQEYKVOE-NJRDNMGOSA-N 436.581 5.401 30 10 IKEE C=CCSc1nnc([C@@H]2CCCO2)n1/N=C/c1ccc(OCCCCCC)c(OC)c1 1874448662 ITCVGVPHAVLNLZ-MHIQDMOBSA-N 444.601 5.258 30 10 IKEE Cc1cccc(CSc2nnc(C3CCCC3)n2/N=C/c2ccc(Cl)c(Cl)c2)c1 1874454676 UCJVNNHJVWIVMY-DHRITJCHSA-N 445.419 6.725 30 10 IKEE Cc1cccc(CSc2nnc(C(C)(C)C)n2/N=C/c2c(Cl)cccc2Cl)c1 1874483875 SDPHYDZDKUPINM-WYMPLXKRSA-N 433.408 6.365 30 10 IKEE Cc1ccccc1CSc1nnc(CC(C)C)n1/N=C/c1ccc(Cl)cc1Cl 1874488035 WJWDXIBQQMOKTA-WYMPLXKRSA-N 433.408 6.266 30 10 IKEE CCCOc1ccccc1/C=N/n1c(COC)nnc1SCc1cccc(Cl)c1 1874506336 YFQCKYWBLHEKAR-YDZHTSKRSA-N 430.961 5.041 30 10 IKEE O=C(/C=C/c1cc(Br)ccc1OCc1ccccc1F)c1cccc(Cl)c1 1874576502 QAKVETKHIHWJSP-CSKARUKUSA-N 445.715 6.717 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)c1OCc1ccccc1Cl 1874586020 RMDPXFSETVQCDW-OUKQBFOZSA-N 436.935 6.449 30 10 IKEE C[C@@H](NC(=O)COc1cccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c1)c1ccccc1 1874593109 SFVHBUMFEYYCTI-PVGBUVFQSA-N 439.555 5.718 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1OCC(=O)NCc1ccco1 1874597543 SDRHAHNHHOOMSG-ACCUITESSA-N 441.483 5.033 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCc3nc(O)c4ccccc4n3)cc2)cc1 1874606537 TXFRDTAYTBWFML-QGOAFFKASA-N 438.527 6.153 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 1874607646 XTKNTJLMUPXMAH-MHWRWJLKSA-N 434.963 7.166 30 10 IKEE Cc1cccc(COc2ccc(/C=C/C(=O)c3ccc(Cl)c(Cl)c3)cc2Cl)c1 1874615609 HEJVMHSSSRFJPP-WEVVVXLNSA-N 431.746 7.430 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCCCO)c(Br)c2)cc1C(C)C 1874626904 BZPPXOJBSOFHMW-SOFGYWHQSA-N 447.369 5.547 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)c1C 1874629371 ZPUSLAUZMQRQJH-NTCAYCPXSA-N 441.571 6.451 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCC(CCCC)CC1 1874651718 VGEZUKWWMSOGBQ-LUFKIMSYSA-N 449.639 5.392 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(Cl)c(Cl)c3)c2)cc1 1874694592 LFWNBJKFNXZESG-UKTHLTGXSA-N 439.338 6.600 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)C34CC5CC(CC(C5)C3)C4)c2)cc1 1874696518 DYKHWAQSXIQGIB-YCRREMRBSA-N 446.543 5.722 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)[C@H]2C[C@H]2c2ccccc2Cl)c1)c1ccc([N+](=O)[O-])cc1 1874697820 BTSJDZIDFJVEDI-BKPMOURTSA-N 447.874 5.853 30 10 IKEE Cc1cc(C(=O)/C=C/c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)ccc1F 1874704000 SAPRGRBLYGRGIR-BJMVGYQFSA-N 439.826 5.811 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(-c3ccccc3)cc2)CSc2nncn21 1874809855 SZWDEJGZOQFLHX-HSZRJFAPSA-N 434.609 6.007 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccccc2)CSc2nnc(-c3cccs3)n21 1874948595 HWAKOLDARAGKOA-IBGZPJMESA-N 440.638 6.069 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(Cl)c1OC(=O)C(C)(C)C 1875095225 GEIOGGYDCBFDLU-JLHYYAGUSA-N 436.935 6.740 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc(OC)c3)cc2OCC)c1 1875101252 PSLCPRGJYXNFIH-WYMLVPIESA-N 446.499 5.608 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3)c(OC)c2)cc1OC 1875103659 JMMZMFRLDXACPY-UKTHLTGXSA-N 446.499 5.147 30 10 IKEE O=C(Cc1ccccc1F)Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1[N+](=O)[O-] 1875113797 YJURVCIAXKKAPM-PKNBQFBNSA-N 439.826 5.432 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)CC1CCCCC1 1875123462 NDZDYWSRIHSWBF-ZHACJKMWSA-N 447.358 6.774 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2)cc1[N+](=O)[O-] 1875131976 YINYCOYZNQBBIS-KPKJPENVSA-N 431.444 5.336 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)c1cccc(C)c1 1875138440 WGXJQHGUQSRLRF-ZHACJKMWSA-N 434.919 6.389 30 10 IKEE CCCCCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OC 1875141368 AQGPALCZOSJKAP-JLHYYAGUSA-N 428.500 5.923 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)Cc1ccccc1F 1875156488 CTPULSLBAZATDD-OQLLNIDSSA-N 446.518 6.392 30 10 IKEE O=C(Cc1cccs1)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1Br 1875158091 FDLSJSGKKYJGBV-YCRREMRBSA-N 445.309 5.694 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(OC)c(Cl)cc2OC)ccc1OC(=O)C1CCC1 1875173636 KPLGWOJOEDTJPR-CSKARUKUSA-N 444.911 5.358 30 10 IKEE C=C[C@@H](C)SC(C)(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1883383985 WUANKFQJBZZTDX-VFNWGFHPSA-N 425.550 5.065 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 1924921975 XVGKEYCICSIOTC-IQGLISFBSA-N 447.620 5.533 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1945527368 SPLGIESRWKMHHB-LZQZEXGQSA-N 449.979 5.619 30 10 IKEE C=C(COC(C)C)[C@@H](NC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071361221 YFVWAWQGQPAZRX-MUUNZHRXSA-N 431.576 6.086 30 10 IKEE CC[C@@H](c1ccc(C2CC2)cc1)n1nc(C2CCC2)c(/C=N/O)c1I 2079039292 FKQKERHBFUXWTG-YPKZHZFPSA-N 449.336 5.440 30 10 IKEE CC(C)(C)c1nn(-c2c(F)cccc2C(F)(F)F)c(Br)c1C(F)(F)F 2079691479 ZUOPGHBIOSTHPM-UHFFFAOYSA-N 433.165 6.109 30 10 IKEE CC1(c2nn(Cc3ccc(C(F)(F)F)cc3F)c(Br)c2C(F)(F)F)CC1 2079828872 USOOTFNTRJKGCJ-UHFFFAOYSA-N 445.176 5.922 30 10 IKEE CCc1nn([C@@H](c2ccc(C(F)(F)F)cc2F)C2(C)CC2)c(Br)c1C=NO 2079878816 TVCAGMPPEAQOFR-HNNXBMFYSA-N 448.258 5.564 30 10 IKEE Cc1nc(C)c(B2OC(C)(C)C(C)(C)O2)c(N(Cc2ccccc2)[C@H](C)c2cccs2)n1 2116147699 GOKWFFPJOSBRKN-GOSISDBHSA-N 449.429 5.222 30 10 IKEE C=CCCCC[C@@H](NC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229117210 WZVMFURZTGGARK-RTBURBONSA-N 425.411 5.219 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)CCC[C@@H](C)NC(=O)OC(C)(C)C 2235746764 LITLYZJRSJASFA-IEBWSBKVSA-N 437.422 5.252 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](C#Cc1ccccc1Br)NCCC 2235747928 UTGKYMPNEPIEDY-PMACEKPBSA-N 435.406 5.028 30 10 IKEE C=CCN(CC[C@H](NCCC)c1ccc(Br)cc1CC)C(=O)OC(C)(C)C 2237544588 VWHAZGFPBICFKJ-FQEVSTJZSA-N 439.438 5.865 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(OC)c(Br)s1 2263743816 QCROBGGHDVEIHB-IUODEOHRSA-N 433.412 5.029 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)c1ccc(Br)c(Cl)c1 2275136171 OHJNIPDIYARCEI-FQEVSTJZSA-N 439.733 5.408 30 10 IKEE CN[C@H](CC=CC#CC(C)(C)C)c1ccc(I)c(Br)c1 2284165286 ROQGMYIXGIMWRO-MRXNPFEDSA-N 446.170 5.310 30 10 IKEE C=CC[C@@]1(COc2cc(Br)c(F)cc2N)CCCCN1C(=O)OC(C)(C)C 2287707306 SGVXJCXDUFTKSA-FQEVSTJZSA-N 443.357 5.285 30 10 IKEE C=CCc1ccccc1OCCOc1cccc(C=C2SC(=S)N(CC=C)C2=O)c1 2293379592 LBUXNANMINAWKD-UHFFFAOYSA-N 437.586 5.260 30 10 IKEE CCOc1cc(C=C2SC(=NC)N(C)C2=O)ccc1OCc1ccc2ccccc2c1 2294137458 FFBCYWJTOBHJQY-UHFFFAOYSA-N 432.545 5.349 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@H](CC)CCNC(=O)OC(C)(C)C 2296270744 AQZLWFFCTGGQDM-QUCCMNQESA-N 437.422 5.110 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](C#Cc1ccc(Br)cc1)NCCC 2296290561 DXLSQUGEDMFBSS-UXHICEINSA-N 435.406 5.028 30 10 IKEE Cc1ccccc1C=C1SC(=NN=Cc2ccc(N(C)C)cc2)N(Cc2ccco2)C1=O 2314841082 MJHMVHFIVFHDLO-UHFFFAOYSA-N 444.560 5.161 30 10 IKEE Cc1c(OCC=Cc2ccccc2)ccc2c1OC(=Cc1ccc(Br)cc1)C2=O 2321817143 SNLQZWXDLZYELK-UHFFFAOYSA-N 447.328 6.466 30 10 IKEE COc1ccc(CN2COc3ccc4c(c3C2)OC(=Cc2ccc(Cl)cc2)C4=O)cc1 2321944948 XERJUTKJIWAGGG-UHFFFAOYSA-N 433.891 5.317 30 10 IKEE COc1ccccc1CN1COc2cc(C)c3c(c2C1)OC(=Cc1ccccc1Cl)C3=O 2321993668 UWEBUZHEXYJQSS-UHFFFAOYSA-N 447.918 5.625 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1c(Cl)cccc1Cl)O3)CN(CCOC(C)C)CO2 2322015366 KEZGLOAWHFBVFC-UHFFFAOYSA-N 448.346 5.495 30 10 IKEE CCOc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(C2CCCCCC2)C4)cc1 2322079812 WDSCRQCSJYQIBW-UHFFFAOYSA-N 433.548 5.885 30 10 IKEE O=C1C(=Cc2ccccc2Cl)Oc2c1ccc1c2CN(Cc2nc3ccccc3[nH]2)CO1 2322192687 FWVJXFITIMESAV-UHFFFAOYSA-N 443.890 5.185 30 10 IKEE Cc1cccc(COc2ccc3ccccc3c2C=CC(=O)c2ccc3ccccc3c2)c1 2322318068 FUXOWKFEVSVNET-UHFFFAOYSA-N 428.531 7.777 30 10 IKEE O=C(C=Cc1ccccc1OCc1cccc2ccccc12)c1cccc(Br)c1 2322457448 SUMMVEJUCVBEEQ-UHFFFAOYSA-N 443.340 7.077 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCc2ccccc2)cc1 2322608252 JFHJBUGEXGIAMB-UHFFFAOYSA-N 436.935 6.613 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2OC)cc1OCC(=O)Nc1cc(C)ccc1C 2323101712 WBAGADMYBFNYNM-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc1OCc1ccccc1 2323228924 VRKBARVWNQFDDT-UHFFFAOYSA-N 430.544 6.476 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC)c(OCc3ccc(C)cc3)c2)c1 2323260724 UQBFPEGQSPNSBC-UHFFFAOYSA-N 446.543 6.276 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O)c1ccc([N+](=O)[O-])cc1Cl 2323302220 BCTBYOGVGXJEMW-UHFFFAOYSA-N 439.782 5.223 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2cccc(OCc3cccc(C)c3)c2)cc1Cl 2323310025 AMWVZWGUOFXYTM-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(OC)c1OCC(=O)OCC(C)C 2323395753 GANOSFNUULGWJT-UHFFFAOYSA-N 448.515 5.331 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cc(C)ccc3C)c(OC)c2)cc1 2323648463 FOYWXECVTFAMKZ-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE O=C(C=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1ccc([N+](=O)[O-])cc1 2323674826 FSUAPZNZAVDGSY-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2F)cc(OC)c1OCc1ccc(C)cc1 2323743584 JCZXKXFYCWXJGU-UHFFFAOYSA-N 434.482 6.485 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc(OC)cc4OC)c3C)C2=O)cc1 2323775078 XWFAJSLCNBIGQI-UHFFFAOYSA-N 444.483 5.410 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1 2323900495 VEDAHNICCIJSAH-UHFFFAOYSA-N 431.746 7.430 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2cccc3ccccc23)cc1Cl)Nc1nccs1 2324129635 MWCOKNCIJRQOCC-UHFFFAOYSA-N 448.931 5.863 30 10 IKEE C=CCOc1ccc(C=CC(=O)c2cc(OCC)ccc2OCC)cc1Br 2324391726 IVIIWUCBJZAFLC-UHFFFAOYSA-N 431.326 5.707 30 10 IKEE CCN(CC)C(=O)COc1ccc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1 2324589077 FDPBIINRPGGKIC-UHFFFAOYSA-N 436.335 5.145 30 10 IKEE CCOc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1 2324794833 QWASSDKVSHMPCE-QHCPKHFHSA-N 444.600 6.704 30 10 IKEE CC(C)c1ccc(C=C2Oc3cc(OCC(=O)N[C@H](C)c4ccccc4)ccc3C2=O)cc1 2325019359 PNKASDSLBVVDEP-LJQANCHMSA-N 441.527 5.682 30 10 IKEE CCCCCCOC(=O)COc1ccc2c(c1C)OC(=Cc1ccccc1Cl)C2=O 2325031361 JCSYQVXLCNQFQB-UHFFFAOYSA-N 428.912 5.767 30 10 IKEE COc1ccc(C(C)(C)C)cc1NC(=O)COc1ccc2c(c1)OC(=Cc1ccco1)C2=O 2325282560 BWNMBTKHTIOIHJ-UHFFFAOYSA-N 447.487 5.219 30 10 IKEE COc1ccc(OC)c(C=C2Oc3cc(OCCc4ccc(C)cc4)cc(C)c3C2=O)c1 2325369874 YUAPQAGHWDCWTR-UHFFFAOYSA-N 430.500 5.558 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1N=Cc1cc(OC)ccc1OC 2325559055 XYSARQKHOFFZTP-UHFFFAOYSA-N 430.961 5.076 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(C)c(C)c3)c2)cc1OC 2325703314 BTSXXYFGPLEYFK-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C=CC(=O)c3ccc(F)cc3F)ccc2OC)cc1 2325724994 JASQMFZWKPBAAE-UHFFFAOYSA-N 438.426 5.487 30 10 IKEE Cc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccccc3)c2)c(C(C)(C)C)c1 2325732609 SRFIEIOJBMPGJF-UHFFFAOYSA-N 428.528 6.173 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2cc(C=CC(=O)c3cc(C)ccc3C)ccc2OC)c1 2325739856 OSLWTYUBBBHTAD-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc(OCC(=O)Nc3cc(C)ccc3C)c2C)C1=O 2325740837 RHOXKYAYTGVCEX-UHFFFAOYSA-N 443.499 5.254 30 10 IKEE CCN(CC)C(=O)COc1ccc2c(c1)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2325742724 JBRCFSSPTHUIIG-UHFFFAOYSA-N 427.500 5.217 30 10 IKEE CCCCOc1cccc(C=Nn2c(CCCC)nnc2SCc2cccc(C)c2)c1 2326389268 JETSPPSHZFRWFR-UHFFFAOYSA-N 436.625 6.283 30 10 IKEE CCSc1nnc(COc2ccccc2Cl)n1N=Cc1ccccc1OC(C)C 2327635714 NOCNSWCNYAGMRI-UHFFFAOYSA-N 430.961 5.292 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2OC)n1N=Cc1ccc(Cl)cc1 2328268086 ZFXUSTBLBMFWOC-UHFFFAOYSA-N 428.945 5.070 30 10 IKEE CCSc1nnc(COc2ccc(OC)cc2)n1N=Cc1ccc(Cl)cc1Cl 2328372026 WFGPMVNPRCGPRG-UHFFFAOYSA-N 437.352 5.167 30 10 IKEE CCCOc1ccc(C=Nn2c(CCCOc3ccccc3)nnc2SCCC)cc1 2328754365 MRNMKWWIDUSLST-UHFFFAOYSA-N 438.597 5.463 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1cn(C)c2ccccc12 2328944887 ULFMJNXJMRQWRZ-UHFFFAOYSA-N 443.620 5.722 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1ccc(C(C)(C)C)cc1 2328945468 AEZQKTSGCWGLCH-UHFFFAOYSA-N 446.664 6.528 30 10 IKEE COc1ccccc1C=Nn1c(CCc2ccccc2)nnc1SCCc1ccccc1 2330196961 KFBYMELCNSTZBB-UHFFFAOYSA-N 442.588 5.289 30 10 IKEE Cc1ccc(CSc2nnc(CC3CCCCC3)n2N=Cc2ccc(O)c(O)c2)cc1 2330221931 BDCPUVANMQDDOD-UHFFFAOYSA-N 436.581 5.295 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3cccs3)n2N=Cc2ccccc2C)c1 2330393867 ZTHWXUWAJQDMDZ-UHFFFAOYSA-N 432.618 6.030 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(OC)c1OC(=O)C(F)(F)F 2330674584 BBPNQASYDJPXNV-UHFFFAOYSA-N 440.417 5.941 30 10 IKEE O=C(Cc1cccs1)Oc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1Cl 2330682823 CVZINHJNBCTFIH-UHFFFAOYSA-N 436.960 6.325 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)CCCC4)cc2OC)c1 2330705176 QWCYMIJTZADKAG-UHFFFAOYSA-N 442.511 5.698 30 10 IKEE CCCOC(=O)CSc1nnc(CC(C)(C)C)n1N=Cc1ccc(C(C)(C)C)cc1 2330881379 JBCXNDPTCDQYPQ-UHFFFAOYSA-N 430.618 5.092 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2Cl)cc(OC)c1OC(=O)c1cnc(C)cn1 2330946943 BNAVYLVFMFDJIR-UHFFFAOYSA-N 448.906 5.291 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Cl)c(OC(=O)c2ccc(C)cc2)c(OC)c1 2331049044 VKDSHVYXLHPUKK-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 2331051635 UBNRNAUQYWQNPA-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OC(=O)c1ccc(Cl)cc1 2331172956 SDWCEVRMFWIWBD-UHFFFAOYSA-N 441.310 6.507 30 10 IKEE CCOc1c(C=Nn2c(SCc3ccccc3C)nnc2-c2ccco2)cccc1OC 2331175016 CBKWZGSOYRCMKJ-UHFFFAOYSA-N 448.548 5.428 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)c3ccccc3)c([N+](=O)[O-])c2)cc1 2331201465 BKQXGYLGGDHGAW-SFHVURJKSA-N 445.471 5.599 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccco3)n2N=Cc2ccncc2)c(Cl)c1 2331229773 HXWRGFRJNNDGIP-UHFFFAOYSA-N 430.320 5.414 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccccc2CC)n1N=Cc1cccc(C)c1 2331322958 NOSBSJFYDCNETA-UHFFFAOYSA-N 435.597 5.105 30 10 IKEE C=C(C)CSc1nnc(C(C)(C)C)n1N=Cc1ccc(OCc2ccc(C)cc2)cc1 2331394475 LVVDIZYVGDFKPP-UHFFFAOYSA-N 434.609 6.013 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)c1ccccc1F 2331709891 CZOACZLYEVDHED-UHFFFAOYSA-N 444.502 6.295 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc(Cl)c1OC(=O)COC 2331798459 BBXPJYDLAUIIHR-UHFFFAOYSA-N 444.955 5.793 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1C 2331835580 VUEPBDTWHHXDQG-UHFFFAOYSA-N 436.507 6.581 30 10 IKEE CCCN(CCCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2339583305 WGKHNRQXPVMWLU-BUHFOSPRSA-N 446.397 5.142 30 10 IKEE Cc1cccc(NC(=O)N(Cc2ccccc2)[C@@H](C)C(C)C)c1B1OC(C)(C)C(C)(C)O1 2352766927 AWPHEVUASZPPIT-FQEVSTJZSA-N 436.405 5.373 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@@H](C#N)c1c(Cl)ccc(Cl)c1Cl 2364580219 NJXDNCQDIHLBIA-HNNXBMFYSA-N 446.161 7.307 30 10 IKEE O=C(/C=C/c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc(OC(F)F)cc1 13133775 HNMSPUKYADLJPH-QQDOKKFESA-N 429.350 6.024 30 10 IKEE CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 13319833 AUCKOSJKLBGHCU-QFIPXVFZSA-N 435.955 5.286 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2Br)C3=O)cc1 33367978 IDQNIPQNWQMRHH-MTJSOVHGSA-N 435.273 5.593 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3cc(OCc4ccc(Br)cc4)ccc3C2=O)cc1 39754446 ULZSRKICQHYUIT-CFRMEGHHSA-N 449.344 6.768 30 10 IKEE C=CCc1ccc(OCCCCn2c([C@H](C)NC(=O)CCC)nc3ccccc32)c(OC)c1 40189051 KWAGUMWDAWLLQS-FQEVSTJZSA-N 449.595 5.610 30 10 IKEE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1/C(=N/Nc1ccc(F)cc1)CCC2 40823868 AFDSGEAYAMZTQA-OGLMXYFKSA-N 446.309 6.439 30 10 IKEE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1/C(=N/Nc1ccccc1)CCC2 40824217 GFSQMIUJCVUGJS-NLRVBDNBSA-N 438.325 5.755 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(C(C)(C)C)cc1)C3=O)CN(Cc1ccco1)CO2 41588151 WGRFYXMAPCZXOO-FMCGGJTJSA-N 429.516 5.854 30 10 IKEE Cc1ccc(/C(CSc2nc3ccccc3s2)=N\Nc2ccc([N+](=O)[O-])cc2)c(C)c1 59460535 ATIJKBFLWHCDGV-QLYXXIJNSA-N 448.573 6.430 30 10 IKEE C=CCn1c(SCCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1cccc(Cl)c1 59794830 OXQKZACQZAUEIZ-UHFFFAOYSA-N 447.391 5.867 30 10 IKEE Cc1ccc(Nc2oc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)nc2C#N)cc1 98026810 OEMWCMDAJUMLFI-UYRXBGFRSA-N 446.557 5.042 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1 100153053 JZKFLOODVVEHLF-UHFFFAOYSA-N 430.548 6.540 30 10 IKEE CCN1C(=O)C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)S/C1=N\c1cccc(F)c1 100196078 XTAVIJNZJAVGSU-PWEHGMCJSA-N 440.327 5.113 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1ccc(C(=O)N(C)C)cc1 100444235 QGPVIAQYBYELIN-UHFFFAOYSA-N 433.662 5.903 30 10 IKEE CCCCCCCCn1c(CCCCCNC(=O)c2ccccc2F)nc2ccccc21 102166776 NWRCMONKLJFRRO-UHFFFAOYSA-N 437.603 6.679 30 10 IKEE CCCCCCCCN(CCCCCCCC)C(=O)c1ccc(C)c(Br)c1 104777842 AVCUAFFDNDYYPO-UHFFFAOYSA-N 438.494 7.921 30 10 IKEE CCCCCCCCCCOc1c(O)cc2c(=O)oc3c(O)c(O)cc4c(=O)oc1c2c34 136882307 IOLJKBSBRLZDIU-UHFFFAOYSA-N 442.464 5.127 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\S(=O)(=O)c2cccs2)c(Cl)c1 169908028 CHBJAVXMDXLIRC-JWGURIENSA-N 428.019 6.339 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C)c2)c1 169930756 RMVUTLQXUJWBIE-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1c1cccc(F)c1 169940068 NUBYSLPSFGWOOY-QHCPKHFHSA-N 443.430 5.363 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc(F)c(C)c2)=C(O)C(=O)N1c1ccc(C)cc1 169944744 OSAJBWNFIARXLC-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccc(N(C)C)cc2)cc1 169953700 MSKZRAWZMJWVBI-VWLOTQADSA-N 440.543 5.461 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccc(O)cc1 169961774 JYLBHNJZNBBCIQ-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc(C)c2)cc1 169972078 OZNFMFFUNBZPJY-XMMPIXPASA-N 427.500 5.091 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2ccccc2OC)=C(N2CCC[C@H](C)C2)C1=O 170059651 KHJBDPLANHYXPY-NRFANRHFSA-N 440.628 5.648 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2ccccc2F)c1 170069107 MBTGVDIBISGDTN-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4ccc(F)c(C)c4)[C@@H]3c3ccc(C)o3)nc2c1 170103642 RXORBZWCQUIXFM-NRFANRHFSA-N 445.450 5.003 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2sccc2C)cc1 170105779 JYFRLVQMYPPNPO-NRFANRHFSA-N 433.529 5.465 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C2CCCC2)c1 170121544 WRBICBRIRATAGV-XMMPIXPASA-N 427.500 5.369 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccc(O)cc1 170137456 VXIAKLFWXIQIHQ-QHCPKHFHSA-N 437.536 5.196 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cccc(OCC)c1 170218518 DPGCQXNHSBHADD-OSPHWJPCSA-N 449.547 5.177 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccccc1)c1ccc(Cl)c(Cl)c1 170231026 WMKKQHSNBZQDBG-HXUWFJFHSA-N 439.298 5.167 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@H]2c2ccco2)cc1C 170287374 XGDVAWXDTDHOMM-DEOSSOPVSA-N 439.467 5.533 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccc(C)o2)c(C)c1 170303356 GXBBSAJNLGCKDU-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccc(N(C)C)cc2)cc1 170338249 PHYORBWCWAQZBI-HSZRJFAPSA-N 448.469 5.122 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(C(C)C)cc2)c1 170363926 REWXQSSQBZAGJV-DEOSSOPVSA-N 442.515 5.387 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N1CCN(c2cc(C)ncn2)CC1 170490987 NEAWLCUDWTWCMM-UHFFFAOYSA-N 444.708 6.695 30 10 IKEE CC1(C)OB([C@H]2C=CC=C[C@]2(/C=C/c2ccccc2)B2OC(C)(C)C(C)(C)O2)OC1(C)C 199508822 JIVNRTMPQKZINX-CYSXIBJJSA-N 434.194 6.121 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(OC)cc2)c1 526486494 MGXQHYCSZITISI-RUZDIDTESA-N 440.499 5.413 30 10 IKEE CC(C)COc1ccc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526488661 LSFQILGTBHLYQQ-QHCPKHFHSA-N 430.529 5.712 30 10 IKEE CCN(CC)c1ccc([C@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526520962 JHBPSNPCWHGJHK-SANMLTNESA-N 437.543 5.770 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccc3ccccc23)cc1 526772079 BOKLOKRPTBWECV-AREMUKBSSA-N 449.506 6.021 30 10 IKEE CCCOc1ccc(/C=N\n2c(C)nnc2SCc2cccc(Cl)c2)cc1OC 526812478 XISIXUFVVWSTSL-QRVIBDJDSA-N 430.961 5.212 30 10 IKEE CC(C)COc1ccccc1/C=N\n1cnnc1SCc1c(Cl)cccc1Cl 526814752 QSLJIGJHLIJOAB-VROXFSQNSA-N 435.380 5.794 30 10 IKEE C=CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H]1c1ccc(Br)s1 571961578 ILGXFDOGBSIQKS-OAHLLOKOSA-N 430.375 5.000 30 10 IKEE N#Cc1cccc(C(=O)N(Cc2ccccc2)c2nc3c(C(F)(F)F)cccc3s2)c1 585169752 KBLFKPAEKOLXRC-UHFFFAOYSA-N 437.446 6.034 30 10 IKEE COc1nsc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)c1Br 690150872 KBOCDWFIVIEQNV-LBPRGKRZSA-N 442.310 5.060 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCc3cc(Br)ccc32)c1 698420749 WRDQHSVKSKEZJS-JOCHJYFZSA-N 427.342 5.864 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCOc2ccccc21 698448717 YMAQINCQCRUFOD-NRFANRHFSA-N 429.314 5.392 30 10 IKEE Cc1cc(Cl)cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)c1 698450524 FCXRKQUEKJFOIH-GOSISDBHSA-N 435.749 6.417 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)COc2ccccc2C1 698458209 NYBBODKMDKOIFM-OAQYLSRUSA-N 429.314 5.088 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@](C)(C#N)[C@@H]1CC2CCC1CC2 698470639 QFRVMPBDGYKTHM-DKYBNIBQSA-N 433.390 6.299 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)c2cc(Br)ccc2F)cc1 710830934 OBJIXIZABHHANM-NRFANRHFSA-N 433.321 6.077 30 10 IKEE CCc1ccc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2cc(O)cc(Cl)c2)cc1 762445279 LUWDQZQJKFGMMH-UHFFFAOYSA-O 436.944 5.090 30 10 IKEE C[C@@H](Sc1n[nH]c(NN=Cc2ccc(Cl)cc2Cl)n1)c1nnc(C2CCC2)o1 1084465014 NZZZEZCTLJMVNU-SECBINFHSA-N 438.344 5.061 30 10 IKEE Clc1ccc(/N=C/C(Br)=C\Nc2ccc(Cl)c(Cl)c2)cc1Cl 1088734641 SHRRSTMMOASCTK-HHEWUMRXSA-N 438.967 7.351 30 10 IKEE N#Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)n(-c3ccc(Cl)cc3)n2)cc1 1859386103 WKVWYNVEWPIGJO-UHFFFAOYSA-N 433.298 5.970 30 10 IKEE COC(=O)c1c(C)oc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)c1C#N 1859760079 AJKCNKYDMBWASY-UHFFFAOYSA-N 444.274 5.176 30 10 IKEE CC(C)COc1ccc(NC(=O)C(=O)/C=C/c2cccc(OCc3ccccc3)c2)cc1 1860729400 GOTMTCQFGYXDRO-LFIBNONCSA-N 429.516 5.521 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)COc1c(C)ccc(C)c1C 1861664082 CXMJDZRPRHREFK-SANMLTNESA-N 432.649 5.532 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(C(C)C)cc2)n(-c2cccc3ccccc23)n1 1862371925 QYTAXQTYYOZBMO-UHFFFAOYSA-N 435.571 6.630 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@H]1c1cccc2ccccc12 1862396190 FOEIKTWBAHVGPT-RUZDIDTESA-N 425.528 5.947 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@H]2c2ccccc2)c1 1862413180 XOMGPPLVDAEHQU-HSZRJFAPSA-N 433.454 5.360 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862477789 RPHFAQUCARWBLH-YJGRUCBDSA-N 428.532 5.633 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2ccccc2Cl)cc1 1862516468 OTUSCJHMKDUVPR-VFNWGFHPSA-N 427.928 5.506 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccccc1C 1862535115 ZLUNBWLBGOJITH-XMMPIXPASA-N 435.564 5.343 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C[C@@H](C)O)cc1 1862584138 QLYZDAZASPXSNX-XCLFUZPHSA-N 448.346 5.076 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(C(=O)O)cc1 1862617300 XCIZDOHUGZTEIL-JOCHJYFZSA-N 449.547 5.451 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 1862619775 BZLOJDMDDGANTD-XMMPIXPASA-N 447.619 6.516 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2Cc2cccnc2)cc1 1862649157 RLRABQPLJXABDU-VWLOTQADSA-N 434.495 5.322 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccc1Br 1862656638 KNCJTWOFQSJBKZ-NRFANRHFSA-N 448.316 5.367 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(O)cc1 1862723473 ANQMXESPTFZPDO-VWLOTQADSA-N 441.527 5.684 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(N(C)C)cc1 1862727004 UPNHQKTZYRVAQV-RUZDIDTESA-N 440.543 5.406 30 10 IKEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccccc2)cc1 1862730686 CECBBNULTXWEOI-DEOSSOPVSA-N 433.548 5.777 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)cc1Cl 1862743712 DPBWUSXOEUFUOC-ADLMAVQZSA-N 449.290 5.278 30 10 IKEE Cc1ccc(Cl)cc1NC1=C(c2ccc(F)cc2F)C(=O)N(c2ccc(C#N)cc2)C1=O 1862944798 GUNCXXFMNGNQLA-UHFFFAOYSA-N 449.844 5.195 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(F)cc3)C2=O)cc1 1863144739 SGGSOMUIMXTGOF-QGZVFWFLSA-N 439.490 5.213 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](NC(=O)C[C@@H](c1ccc(Cl)cc1)C(C)C)c1ccccc1 1868701476 DGDVIFRGYOJRBI-ILBGXUMGSA-N 438.999 5.528 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3cc4ccccc4nc32)nc(-c2cccc(OC)c2)n1 1869303149 ZYTFEVJNBVONNG-UHFFFAOYSA-N 449.558 5.573 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccccc2F)cn1Cc1ccc(C)cc1 1870343292 FRRMELZKLZNAAZ-UHFFFAOYSA-N 432.539 5.097 30 10 IKEE CCCCCCCCn1cc(OCc2c(C)cc(C)cc2C)c(=O)cc1CN(CC)CC 1870379924 VDMSLITTXHRCEB-UHFFFAOYSA-N 440.672 6.555 30 10 IKEE CCCCCCCOc1cn(CCCN(C)C)c(CNc2ccccc2CC)cc1=O 1870837801 ZAMQMNMLLRKLPJ-UHFFFAOYSA-N 427.633 5.324 30 10 IKEE C=CCn1cc(OCCOc2cccc(C)c2)c(=O)cc1CNc1ccc(Cl)cc1C 1871209278 DBWUWFFQJYDWPB-UHFFFAOYSA-N 438.955 5.374 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1c(Cl)cccc1Cl)O3)CN(CCOC(C)C)CO2 1871345346 KEZGLOAWHFBVFC-JMIUGGIZSA-N 448.346 5.495 30 10 IKEE C=CCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(OCC)cc4)cc(=O)c3c2)cc1 1871359283 YRKNBYGKKOHZFK-UHFFFAOYSA-N 441.483 5.676 30 10 IKEE Cc1cc(OC(=O)/C=C/c2ccc(C(C)C)cc2)cc2c1C(=O)/C(=C/c1cccs1)O2 1871379326 BCTPGXBQYBHGLE-FZCBTXPFSA-N 430.525 6.415 30 10 IKEE CC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)c1 1871390462 XTVHOFOQWCZPMJ-JJFYIABZSA-N 434.831 5.101 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(O[C@H](C)C(=O)Nc4ccc(F)cc4)c3C)C2=O)cc1 1871400724 JJRBVDZDQGXZQE-GMPVXANTSA-N 447.462 5.165 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871406736 JPQGSMMPYRMBAD-GMPVXANTSA-N 447.462 5.165 30 10 IKEE COc1ccc(OCCCOc2cc(C)c3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871415527 GYVACYZWFBVBGE-IWIPYMOSSA-N 434.463 5.607 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C)c(Cl)c4)ccc3C2=O)cc1 1871456775 WBRVKPKPTQOJMB-KSEXSDGBSA-N 449.890 5.291 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4cc(C)ccc4C)cc(C)c3C2=O)c1 1871460648 XSGRSKQVCYHNNH-CFRMEGHHSA-N 443.499 5.254 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(CC)cc1)C(C)C)S(=O)(=O)c1c(C)cc(C)cc1C 1872078564 BXTJZNPUXDRSLX-HSZRJFAPSA-N 442.625 5.014 30 10 IKEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1cc(C)ccc1C 1872079801 TXDGHKQLADSVTE-QHCPKHFHSA-N 442.625 5.096 30 10 IKEE C=CCN([C@@H](C)C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)S(=O)(=O)c1cccs1 1872320970 UJNDHWHQMFMLHT-KRWDZBQOSA-N 434.627 5.199 30 10 IKEE C=CCN([C@@H](CCC)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1cc(C)ccc1C 1872428281 QROOLJVDUUIJOD-NRFANRHFSA-N 449.016 5.249 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-c4ccccc4)cc3)n2)cc1OC 1872761676 SJIQZJMMFZZCMK-OAQYLSRUSA-N 440.524 5.984 30 10 IKEE CCCCN(CCCC)CC(=O)[C@@H](C#N)c1nc(-c2ccc(OC)cc2OC)c(C)s1 1872800874 XJZKJTIUSPIEMM-HXUWFJFHSA-N 443.613 5.214 30 10 IKEE COc1ccc([C@@H](C)NC(=O)c2ccc(CSc3nc(C)c(C)c(C)c3C#N)cc2)cc1 1872895419 SEMPGRSKMGWPHG-LJQANCHMSA-N 445.588 5.670 30 10 IKEE CCCOc1c(OC)cc(/C=N/Nc2oc([C@@H]3C[C@H]3c3ccccc3)nc2C#N)cc1OC 1873471340 ZNCQJXOFDULTPA-OZPOODGYSA-N 446.507 5.069 30 10 IKEE C=CCn1c(C(=O)NCc2ccccc2)cc2c(N(CCCC)CCCCCC)ncnc21 1873594463 VNAUKZSEUPICGU-UHFFFAOYSA-N 447.627 5.734 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)cc2C)cc2c(NCc3cccc(C)c3)ncnc21 1873617815 JTFHNWUUXQUSKY-UHFFFAOYSA-N 445.954 5.752 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)cc2c(NCc3ccccc3C)ncnc21 1873619005 STNUFONXHJHVCT-UHFFFAOYSA-N 425.536 5.407 30 10 IKEE C=CCSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1ccc(C(C)C)cc1 1874260954 AQMBOWDRFZCANK-DHRITJCHSA-N 428.508 5.419 30 10 IKEE C=C(C)CSc1nnc(COc2cccc(C)c2C)n1/N=C/c1c(F)cccc1Cl 1874323445 PRHGBZWBYVLBJX-OPEKNORGSA-N 444.963 5.817 30 10 IKEE Cc1ccc(/C=N/n2c(Cc3ccc(Cl)cc3)nnc2SCc2ccc(C)cc2)cc1 1874339227 NTQKBQGIKJWNRP-JVWAILMASA-N 447.007 6.314 30 10 IKEE C(=N/n1c(CCc2cccs2)nnc1SCc1ccccc1)\c1c[nH]c2ccccc12 1874371865 VOLKBWYQIHDOLA-WGOQTCKBSA-N 443.601 5.781 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccccc3F)nnc2[C@H](C)c2ccccc2)c1 1874395666 RVMRHRPHHXBOSW-AXNZHVIBSA-N 446.551 5.752 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc[nH]1 1874399279 LGDOMHHJUIPNBG-XTFCHBONSA-N 437.572 6.086 30 10 IKEE Cc1cccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2c[nH]c3ccccc23)c1 1874406698 PEAMWGHJXJIEBO-OGLMXYFKSA-N 443.620 6.365 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3)n2/N=C/c2ccccc2C)c1 1874416968 RDILFPXAFUDCBY-WPWMEQJKSA-N 426.589 5.969 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(-c2ccccc2)n1/N=C/c1cccnc1 1874429029 NBGZDZIZGOYPBP-DHRITJCHSA-N 440.359 5.821 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CCCC2)c1 1874456272 JSJVNQCQNFAHFQ-ZMOGYAJESA-N 426.973 5.778 30 10 IKEE O=[N+]([O-])c1cc(/C=N/n2c(SCc3cccc(F)c3)nnc2C2CCC2)ccc1Cl 1874494719 WBYSFJFAFQEZOK-FOKLQQMPSA-N 445.907 5.421 30 10 IKEE CC(C)c1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(C(C)(C)C)cc1 1874514750 JCEVBBLNNKWHDR-LGJNPRDNSA-N 445.007 6.666 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2C2CC2)cc1OC 1874519772 LCUQLURDHOAFRU-AFUMVMLFSA-N 436.581 5.354 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C2CC2)cc1 1874522643 DOORKUVVOUITMW-WYMPLXKRSA-N 430.936 5.521 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(F)cc1F 1874527682 ANCSNJLIIRGAGX-NUGSKGIGSA-N 427.307 5.600 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1cn(C)c2ccccc12 1874528186 WJAMILKGJRYKES-BHGWPJFGSA-N 444.391 5.814 30 10 IKEE Sc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1c(Cl)cccc1Cl 1874570572 YONLSIDZPQKJLY-AWQFTUOYSA-N 442.169 5.109 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2nc(O)c3ccccc3n2)c(C)c1 1874578744 DZGSOSXKRXGNGW-DHZHZOJOSA-N 444.918 6.081 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(C)ccc2C)c1OCc1nc(O)c2ccccc2n1 1874580430 NORUODNUPKYMHQ-BUHFOSPRSA-N 440.499 5.436 30 10 IKEE C=C(C)COc1c(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)cc(Cl)cc1OC 1874586987 OWRXWJXFOBCFAH-AATRIKPKSA-N 441.738 6.515 30 10 IKEE CCOc1c(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc(Br)cc1OC 1874589040 PTNHHXUZEKRGRV-VOTSOKGWSA-N 439.733 5.723 30 10 IKEE C=CCOc1c(OC)ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c1Br 1874593146 UYOWYQURPCDOQF-ZRDIBKRKSA-N 427.338 5.797 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OCC(=O)Nc2ccccc2C)c(Cl)c1 1874610367 PKOBWBLDMHURNF-ACCUITESSA-N 435.907 5.571 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(OC)c1OCc1ccccc1F 1874613044 ZUBHKQDIEAKUNM-FMIVXFBMSA-N 438.445 6.316 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OCCc1ccccc1 1874617608 KRRBGWUPXHLGDY-FYWRMAATSA-N 426.556 6.558 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(OC)c1OCc1ccc(F)cc1 1874623837 YABNYMSOMTZOGS-NTCAYCPXSA-N 442.486 6.471 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2cccc(OC(=O)CCOc3ccccc3)c2)cc1 1874706015 LMJWXFNAGPAYTE-SFQUDFHCSA-N 428.528 6.255 30 10 IKEE CCc1ccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)OCO4)c2)cc1 1874707608 NCDVNVLBWDUGLN-JLHYYAGUSA-N 428.484 5.412 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OC(=O)CCOc1ccccc1 1874709677 NRGQTYPARFWSML-YRNVUSSQSA-N 438.426 5.244 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OC(=O)c1ccc(F)c(F)c1 1874710223 XJYKEWICUNHUJP-KRXBUXKQSA-N 430.353 5.367 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2cccc(/C=C/C(=O)c3cc(C)cc(C)c3OC)c2)c1 1874713040 CXPXFRHODWSPOA-MDZDMXLPSA-N 446.499 5.445 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccc(F)c(F)c2)c1 1874716019 XISRTSBXZVBGHS-UKTHLTGXSA-N 434.482 6.686 30 10 IKEE C=CCN(CC=C)CCC(=O)c1cccc(OC(=O)c2ccccc2-c2ccccc2)c1 1874736005 LDMSHBCZLBOPLD-UHFFFAOYSA-N 425.528 5.820 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@H]2C[C@H]2c2ccccc2Cl)cc1)c1ccc(F)c(F)c1 1875162105 WZRBEMRTTMKTOH-MCBUOJDOSA-N 438.857 6.223 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1cccc(Cl)c1 1875169796 SPWRCXULIRMTCK-PKNBQFBNSA-N 448.946 6.698 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C)cc(C)c3OC)cc2)cc1 1875170015 YDPDIYXAIHQALI-OVCLIPMQSA-N 430.500 5.826 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(C)c3)c(OC)c2)c(OC)c1 1875178104 UFKSQUIHQMQSKM-XYOKQWHBSA-N 432.472 5.136 30 10 IKEE CCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1Cl 1875186002 ZIZPUVJCLRMIRM-FNORWQNLSA-N 427.711 6.257 30 10 IKEE C=CCN(CC=C)C(=O)c1cc2c(NCCc3ccc(C)cc3)ncnc2n1CCCC 1875212755 BSQVEJYCWNLKRQ-UHFFFAOYSA-N 431.584 5.009 30 10 IKEE CCN(CC)c1cccc(OCC#CCNC(=O)CC(c2ccccc2)c2ccccc2)c1 1891708905 UZNCOAQEVLCAKG-UHFFFAOYSA-N 440.587 5.253 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@](C#N)(C1CCC1)C(F)(F)F 1892899287 BMILMLUGVAYDMX-QGZVFWFLSA-N 433.268 5.815 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C12CC2 1925722224 NRCCWJTVDDZZKO-QHCPKHFHSA-N 431.508 5.003 30 10 IKEE CCC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 1945772207 HLUIFNMBXSHKKK-QFBILLFUSA-N 435.540 5.400 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 1949562429 ZAMWEYZTYFKBEB-MHECFPHRSA-N 435.609 5.628 30 10 IKEE CCCCCC#CC[C@H](NCC)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2024370297 NQXMNHKDPDWAKG-NHTMILBNSA-N 430.633 5.437 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@]1(C#N)CCN(Cc2ccccc2)CC1(C)C 2037436417 YOMSONKYBASGRB-MHZLTWQESA-N 439.644 6.141 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(CC2CC2)C(=O)OC(C)(C)C)CC12CCCCC2 2074139253 QEUXONWSDDPBTK-VWLOTQADSA-N 447.620 5.630 30 10 IKEE Cc1ccc([C@@H](C2CCC2)n2nc(C3(C)CC3)c(C#N)c2I)cc1 2079024836 IFZFFXZJWRVZLV-QGZVFWFLSA-N 431.321 5.109 30 10 IKEE CC(C)(C)[C@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)F)c(C=NO)c1Cl 2079860309 FOJJJUVQSYQWQH-ZDUSSCGKSA-N 427.776 6.076 30 10 IKEE N#Cc1c(C2CC2)nn([C@H](c2ccc(C(F)(F)F)cc2F)C2CC2)c1Br 2079906198 XZNNSFHKZSKMNA-INIZCTEOSA-N 428.227 5.552 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Br)c(Cl)c1C 2082802840 UXHHBCAEALASJE-CQSZACIVSA-N 431.758 5.209 30 10 IKEE CCCC#CC[C@H](NCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2083446149 GGOUFUFEDJKXBE-MHZLTWQESA-N 427.588 6.689 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](Cc2cc(Cl)ccc2Br)NC)C1 2126685336 OSMPFPJQKYPQKD-QGZVFWFLSA-N 443.813 5.094 30 10 IKEE CC(C)N[C@]1(C#N)C[C@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)CC(C)(C)C1 2127181865 LYGPZYUEFIREPS-XRKRLSELSA-N 446.683 5.460 30 10 IKEE O=C(CC#CC1CCCCC1)c1ccc(Br)cc1I 2142282533 FMZFTFUUCVNOKQ-UHFFFAOYSA-N 431.111 5.210 30 10 IKEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN(C)[C@H]1CC(C)(C)[C@H]1OCc1ccccc1 2156383628 SVRFVQYWICMEHF-DQEYMECFSA-N 449.444 5.110 30 10 IKEE C[C@H]1[C@@H](Nc2ccc(C#N)c(Br)c2F)C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2162387011 IZEQNUPCBMMUNG-RUAUBTSSSA-N 438.341 5.048 30 10 IKEE N#Cc1c(F)cc(Br)cc1NC[C@@]12CC[C@H]1CCCN2Cc1ccccc1 2163707447 JYRCCGWKCXDYJM-VGSWGCGISA-N 428.349 5.317 30 10 IKEE CC(C)(C)OC(=O)Nc1ccccc1OCCNc1cccc(Br)c1C#N 2183232512 SLUNILZESGZKIQ-UHFFFAOYSA-N 432.318 5.159 30 10 IKEE CCCN[C@@H](C#CP(C)(C)=O)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2225396756 KDCHXHDYIVRGLL-KRWDZBQOSA-N 443.322 5.420 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(CC[C@@H](O)C#Cc2ccccc2Br)cc1 2235742055 WNNUKJXKJLHCPZ-LJQANCHMSA-N 430.342 5.141 30 10 IKEE C=CCCC[C@H](NCCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237412893 WQRSIZHOJAMVNA-VQTJNVASSA-N 439.438 5.609 30 10 IKEE CC(C)(C)OC(=O)N1CCCC(C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)CCC1 2248640460 WDGFUSRCZKHZRX-UHFFFAOYSA-N 429.561 5.502 30 10 IKEE Cc1c(Br)sc([C@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)c1C 2254664229 GEEACGSQZQFMTP-AWEZNQCLSA-N 441.416 6.191 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Cl)cc(C(=O)C#Cc2cccc(Br)c2)c1 2278739320 GRBYQVSHNSWVOB-UHFFFAOYSA-N 434.717 5.684 30 10 IKEE CCCN(c1c(Br)cccc1C#N)C1CCC(NC(=O)OC(C)(C)C)CC1 2285189762 KKCKODVJCKPFPB-UHFFFAOYSA-N 436.394 5.373 30 10 IKEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C=Cc3ccc(OC)c(OC)c3)c2C#N)C1 2294930934 AEUQPGDABIMYAX-QGZVFWFLSA-N 438.593 5.830 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)C[C@@H](CC)CNC(=O)OC(C)(C)C 2296218395 DKRQKXMOPBJFFS-XLIONFOSSA-N 437.422 5.110 30 10 IKEE CCCOc1ccc(C(=O)C(=Cc2ccc(C(C)C)cc2)c2nc3ccccc3o2)cc1 2296695650 HFDROJLHVNYNGZ-UHFFFAOYSA-N 425.528 7.164 30 10 IKEE CCOc1ccc(N=C2SC(=C3Sc4ccccc4N3CC)C(=O)N2CC)cc1 2297707729 FQEIQOPNRGGASH-UHFFFAOYSA-N 425.579 5.469 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2313030006 FDVJHXYMFULBNR-FTWJINIUSA-N 441.572 5.404 30 10 IKEE O=C(C=Cc1ccc(-c2nc3ccccc3s2)o1)c1ccc(-c2ccccc2Cl)o1 2314486700 LHYXVJWKYZKGSC-UHFFFAOYSA-N 431.900 7.366 30 10 IKEE CC(=C1SC(=Nc2cccc(C(=O)O)c2)N(c2ccccc2)C1=O)c1ccc(N)cc1 2314547195 DVGVEIKERNBKFB-UHFFFAOYSA-N 429.501 5.166 30 10 IKEE Cc1ccc(N=C2SC(=Cc3cn(C)c4ccccc34)C(=O)N2c2ccc(C)cc2)cc1 2314600165 NIWZUFQUYCBEGF-UHFFFAOYSA-N 437.568 6.604 30 10 IKEE Cc1ccc(COc2ccc(C=NNc3oc([C@@H]4C[C@H]4c4ccccc4)nc3C#N)cc2)cc1 2320839906 IFAOSZGUAQCAFJ-LOSJGSFVSA-N 448.526 6.151 30 10 IKEE CCCSc1nnc(C(C)C)n1N=Cc1cccc(OCc2cccc(Cl)c2)c1 2321828869 WKYRNWKPBDWPCG-UHFFFAOYSA-N 428.989 6.018 30 10 IKEE CCCCCCCCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccccc1C)C3=O 2322132231 HLZWNHAOJDZMSQ-UHFFFAOYSA-N 447.619 7.212 30 10 IKEE COc1ccccc1C=C1Oc2c(cc3c(c2C)OCN(Cc2ccc(Cl)cc2)C3)C1=O 2322305571 ZIURAAIBATUCIW-UHFFFAOYSA-N 447.918 5.625 30 10 IKEE CCCCN1COc2c(cc3c(c2C)OC(=Cc2cn(CC)c4ccc(OC)cc24)C3=O)C1 2322341239 KCHHTVCXOQOTFT-UHFFFAOYSA-N 446.547 5.546 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1cn(C)c4ccccc14)C3=O)CN([C@@H]1CCCC[C@@H]1C)CO2 2322391672 OYGWPVUWZAHSAU-GAJHUEQPSA-N 442.559 5.834 30 10 IKEE CC(C)(C)c1cc(C=NNc2cnn(C(C)(C)C)c(=O)c2Cl)cc(C(C)(C)C)c1O 2322601374 LHKHWDLIXULNPA-UHFFFAOYSA-N 432.996 5.398 30 10 IKEE Cc1cc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)ccc1F 2322634769 HMUGBYQDQMXNIO-UHFFFAOYSA-N 425.843 6.171 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2ccccc2C)cc1F 2322712019 WUCZLPAQIWKBAA-UHFFFAOYSA-N 449.478 5.065 30 10 IKEE COc1ccccc1C=C1Oc2cc(OC(=O)Cc3ccc(Cl)cc3)cc(C)c2C1=O 2322894458 XMVAMTIEKYSRTA-UHFFFAOYSA-N 434.875 5.421 30 10 IKEE COc1cc(C=NNc2ccc(Cl)cc2)cc([N+](=O)[O-])c1OCc1cccc(C)c1 2322953038 LTUVMOGWQQUKOD-UHFFFAOYSA-N 425.872 5.590 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2cccc(C)c2)cc1Cl 2322979124 VMQFPFIZFGDRED-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OCC(=O)NC2CCCCC2)c1 2323230142 OOWVDLBLHXHSNG-UHFFFAOYSA-N 449.591 5.717 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(OC)c1OCc1ccccc1 2323409873 SGGPTHIFOWERNG-UHFFFAOYSA-N 434.535 7.052 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc(F)c2)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 2323423598 LRXVBDVPKWTZTB-UHFFFAOYSA-N 431.463 6.088 30 10 IKEE Cc1c(OC(=O)COc2ccc(Cl)cc2)ccc2c1OC(=Cc1cccs1)C2=O 2323533247 ZMRGCCQIICEFEX-UHFFFAOYSA-N 426.877 5.311 30 10 IKEE CCCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2)C3=O)cc1 2323937423 IAUAJDJOUFOEJX-UHFFFAOYSA-N 442.467 5.536 30 10 IKEE Cc1c(OC(=O)CCc2cccs2)ccc2c1OC(=Cc1cn(C)c3ccccc13)C2=O 2323974949 WCEOCQUTRIRILK-UHFFFAOYSA-N 443.524 5.703 30 10 IKEE C=C(C)COc1c(Br)cc(C=CC(=O)c2ccc(F)c(C)c2)cc1OCC 2323985208 BDEDHISTWAURKU-UHFFFAOYSA-N 433.317 6.146 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OCC(=O)Nc1ccccc1 2324381235 HSEPVGUWFOGYQN-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2F)C3=O)cc1 2324475191 DFNLOIMXADCWHE-INIZCTEOSA-N 431.463 5.410 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OCCCOc4ccc(OC)cc4)c3C)C2=O)cc1 2324706033 XYOMBPKYUMHIJG-UHFFFAOYSA-N 444.527 6.030 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4c(F)cccc4F)cc(C)c3C2=O)cc1 2325512751 NJEFHUVZJXZCES-UHFFFAOYSA-N 449.453 5.469 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(Cl)cc1 2325610355 OWWAFWICSYSYBA-UHFFFAOYSA-N 425.772 5.975 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)COc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O 2325723413 MHSFEHHQBHVKII-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2C)C3=O)cc1Cl 2325729689 CRGVJBHQMHAGDB-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2OC)cc1OC(=O)Cc1ccc(C)c(C)c1 2325742273 SMKLJTJLOHGVHS-UHFFFAOYSA-N 444.527 5.673 30 10 IKEE COc1cc(C(=O)C=Cc2ccc(OC)c(OC(=O)C(C)(C)C)c2)c(OC)cc1Cl 2325758601 BPNITVOJINAAPD-UHFFFAOYSA-N 432.900 5.213 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cncc(C)c3)c2)cc1C 2325770695 FNJJGRNAVSYZAR-UHFFFAOYSA-N 431.488 5.139 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)[C@@H](C)c3ccccc3)c2)c2ccccc12 2325778069 BEOZBTDHBVVTFP-FQEVSTJZSA-N 436.507 6.454 30 10 IKEE CCCCOc1ccc(C=Nn2c(COc3ccc(OC)cc3)nnc2SCC)cc1 2328371803 CKUWOHZJRCWJMS-UHFFFAOYSA-N 440.569 5.039 30 10 IKEE N#Cc1ccccc1NC(=O)c1cccc(NC(=O)C=Cc2ccc(Br)cc2)c1 2328659307 DXMKMDPMGRHGPD-UHFFFAOYSA-N 446.304 5.225 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CCc2ccc(C)c(C)c2)nnc1SCC=C 2328961726 DHKVQPZUHQNMQD-UHFFFAOYSA-N 432.593 5.405 30 10 IKEE Cc1cccc(C=Nn2c(Cc3ccc(C)c(C)c3)nnc2SCc2ccc(F)cc2)c1 2329397010 WVOIPZYUJWJDCA-UHFFFAOYSA-N 444.579 6.108 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccc(F)cc2)n1N=Cc1ccc(O)cc1 2329808140 FHJVGZZDMYTMBG-UHFFFAOYSA-N 432.524 5.197 30 10 IKEE COc1cccc(C=Nn2c(COc3ccccc3)nnc2SCc2ccccc2F)c1 2329918830 FSXSYBYTBJSHJE-UHFFFAOYSA-N 448.523 5.179 30 10 IKEE Cc1ccccc1CSc1nnc(-c2cccs2)n1N=Cc1cn(C)c2ccccc12 2330538011 WKLIXJHGDWWLIY-UHFFFAOYSA-N 443.601 5.981 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(Cl)c1OC(=O)CC(C)(C)C 2330651425 XANWSWIEHVHJIO-UHFFFAOYSA-N 436.935 6.740 30 10 IKEE CCOc1c(C=Nn2c(SCc3ccccc3)nnc2-c2ccccc2)cccc1OC 2330670738 AOTYIODCGBNPKE-UHFFFAOYSA-N 444.560 5.527 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1ccc(C)c(C)c1 2330675196 KFHNYAURTKJPOG-UHFFFAOYSA-N 436.507 6.581 30 10 IKEE CCCCC(=O)Oc1c(OCC)cc(C=CC(=O)c2ccc(CC)cc2)cc1[N+](=O)[O-] 2330761671 AXDHLSBZNGREKN-UHFFFAOYSA-N 425.481 5.548 30 10 IKEE COC(=O)c1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccc(C)cc2)cc1 2330801528 YMOOTSBPXSDZNJ-UHFFFAOYSA-N 436.581 5.136 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccccc3OC)cc2OC)cc1 2331080346 LHLQHGRXKMTFIY-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)cc([N+](=O)[O-])c1OC(=O)C1CCCC1 2331100484 ODPDPYQDKLFVBM-UHFFFAOYSA-N 445.418 5.263 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2c(F)cccc2Cl)c([N+](=O)[O-])c1)c1ccccc1 2331170397 IDSMFQYXYVMNSP-UHFFFAOYSA-N 425.799 5.503 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OCC)cc2)cc1[N+](=O)[O-] 2331201686 OGHYUIZDFHXBKP-UHFFFAOYSA-N 425.481 5.765 30 10 IKEE CCc1ccc(C=Nn2c(SCC(=O)Nc3ccccc3C)nnc2C(C)(C)C)cc1 2331382227 MPUVQJKNLGZHSU-UHFFFAOYSA-N 435.597 5.059 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)C)n2N=Cc2cccc3ccccc23)c1 2331456502 VKIWIARUIXTBKD-UHFFFAOYSA-N 428.605 6.421 30 10 IKEE CCCC(=O)Oc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc1[N+](=O)[O-] 2331549164 NUFIOYSSUMUSNH-UHFFFAOYSA-N 425.481 5.503 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(SCc2cccc(C)c2)nnc1C(C)C 2331690060 DIMNOKIMYLQKMT-UHFFFAOYSA-N 430.577 6.046 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2Cl)cc1 2331705716 CDFXCIZHIXAJSO-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2ccc(OC(=O)Cc3cccs3)cc2)cc1Cl 2331802625 KMTLESBJMDVKGF-UHFFFAOYSA-N 447.339 6.108 30 10 IKEE N#Cc1cc(Br)cc(OCc2cc(I)ccc2Cl)c1 2352274167 SUBOQIDYZXZAPL-UHFFFAOYSA-N 448.485 5.158 30 10 IKEE Cc1cccc(NC(=O)N(Cc2ccccc2)[C@H](C)C(C)C)c1B1OC(C)(C)C(C)(C)O1 2352766928 AWPHEVUASZPPIT-HXUWFJFHSA-N 436.405 5.373 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Br)cc(COC)c1 2362282394 SVDRLKZTIYZKMN-MOPGFXCFSA-N 441.410 5.106 30 10 IKEE Clc1ccc(/C=N/c2ccc3nc(-c4ccc(Cl)cc4Cl)[nH]c3c2)c(Cl)c1 8935104 BPHVSZDEIYXGOZ-KIBLKLHPSA-N 435.141 7.594 30 10 IKEE O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1Cl)c1c(nn(-c3ccccc3)c1O)N2 17094736 OAHUYQDEEDRQHR-SFHVURJKSA-N 426.303 5.449 30 10 IKEE COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccn2)c1 21226217 KCFRBPZQELYZPJ-QMTYFTJSSA-N 427.504 5.078 30 10 IKEE CCc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(SC)cc2)cc1 21240569 VFXBPEZKXGLCBT-KMRXNPHXSA-N 440.612 6.950 30 10 IKEE CC(C)COc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OC(C)C)cc2)C3)cc1 21244135 BSJZOQBGELPFNG-URXFXBBRSA-N 447.575 5.513 30 10 IKEE N#CC1(c2ccc(NC(=S)NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)cc2)CCCC1 30830222 DVUXSIQSGXRWJN-UHFFFAOYSA-N 449.963 6.062 30 10 IKEE CCN(CC)c1ccc(/C=C\C(=O)c2cc3cc(Br)ccc3oc2=O)cc1 33248846 KIJRQVPYDMVTPI-XFFZJAGNSA-N 426.310 5.298 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O)c1ccccc1 33370428 XYRVMLJSTKBQDN-UUYOSTAYSA-N 435.273 5.327 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)/C=C\c3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 33560908 GGQVKOBJGQNUHL-INYRMVIESA-N 440.455 5.086 30 10 IKEE O=C(/C=C\c1ccccc1OC(=O)c1ccccc1Br)c1ccc(Cl)cc1 33622787 GGBBMSWLFJOFMQ-KAMYIIQDSA-N 441.708 6.218 30 10 IKEE C=CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCCC)cc1OCC 38609107 XTRVQHOUACYFQA-XMMPIXPASA-N 447.531 5.492 30 10 IKEE CCOc1ccc(/C=C2\S/C(=N/c3nc(C)cs3)N(C3CCCCC3)C2=O)cc1 39865639 MVGQRKQWDYQVTC-ZOVWXIRQSA-N 427.595 5.787 30 10 IKEE COc1cccc(/C=C2\Oc3c(cc4c(c3C)OCN([C@H](C)c3ccccc3)C4)C2=O)c1 41587520 JKYLFYLYGIFMBU-WTZXFZKGSA-N 427.500 5.533 30 10 IKEE O=C1/C(=N\Nc2cc(Cl)ccc2Cl)c2ccccc2N1Cc1cccc([N+](=O)[O-])c1 59160845 CLHXDCYYFLGSSQ-QQTULTPQSA-N 441.274 5.265 30 10 IKEE COc1ccc(/C=N/c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)c2ccccc12 100354231 DYDRIWRGILIYQR-OVVQPSECSA-N 442.540 5.350 30 10 IKEE CCCCCCCCCCCCCCCCSC(=S)N[C@H]1CCS(=O)(=O)C1 100838992 HYQYCIHGWZHPBA-FQEVSTJZSA-N 435.765 6.263 30 10 IKEE O=C1/C(=C/c2ccc3c(c2)OCO3)S/C(=N/c2cccnc2Cl)N1c1ccccc1 101126891 HGOUCBDFVVWWPC-XOVMAZANSA-N 435.892 5.272 30 10 IKEE CCCCCCCCCCn1c([C@@H](C)NC(=O)c2ccccc2Cl)nc2ccccc21 102114796 LIIYQCJSGQZWRT-HXUWFJFHSA-N 440.031 7.321 30 10 IKEE CCCCCCCCCCCn1c([C@@H](C)Oc2ccc(Cl)cc2)nc2ccccc21 102189045 NYHLODMICPBNCW-OAQYLSRUSA-N 427.032 8.361 30 10 IKEE CCCCCCCCCCNC(=O)c1cc(Br)c(Br)s1 128463864 JLWKZLFODNLQTC-UHFFFAOYSA-N 425.230 6.144 30 10 IKEE CCCN1C(=S)N[C@@H](c2ccc(OC3CCCCC3)cc2)C(C(=O)c2ccccc2)=C1C 169929052 HADZFOYIWOXNQB-VWLOTQADSA-N 448.632 6.196 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccc(O)cc2)cc1C 169963115 GJOGSTYTRRIRRJ-DEOSSOPVSA-N 443.499 5.109 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccc(F)cc2)cc1C 170062611 LSQBADDEHJGMNW-VWLOTQADSA-N 429.491 5.544 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(C(C)C)cc2)ccc1F 170066640 LHRCQQZSYHBSLX-NZQKXSOJSA-N 437.511 5.015 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccccc2C)cc1 170088703 KDJAWZITILJZEU-AREMUKBSSA-N 449.506 5.940 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccc(Cl)cc2)[C@H]1c1ccco1)c1cccc(Cl)c1 170096731 BLQDMOQTEJIITR-FQEVSTJZSA-N 442.298 5.407 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2c(C)[nH]c3ccccc23)ccc1F 170104009 WEROUCBNLJDASR-QHCPKHFHSA-N 444.462 5.295 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2C2CCCC2)cc1 170117111 VRVZUITUPZZQLN-DEOSSOPVSA-N 447.575 5.822 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccn2)ccc1OC(C)C 170179404 AZRAPEHYSDCTHZ-QHCPKHFHSA-N 434.536 5.088 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(Cl)ccc3OC)[C@H]2c2ccncc2)cc1 170201009 DFXORFBUUARWMA-JOCHJYFZSA-N 448.906 5.089 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@@H]1c1ccccc1 170228297 KOGLUNAGAJRFFS-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@@H]1c1ccccc1 170232770 JHCJFVYRFOEQCF-VWLOTQADSA-N 441.527 5.562 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(Cl)cc1)c1c[nH]c2ccccc12 170235372 YVAQWBGHISQDGT-OAQYLSRUSA-N 432.863 5.193 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(Cl)cc1 170236170 XITMTHZUPZBTIO-GOSISDBHSA-N 438.738 6.025 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(F)cc2)cc1Cl 170244116 TZPOIWUXUAMCHO-HXUWFJFHSA-N 429.875 5.009 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2F)cc1C 170248289 NYKMUMIWAAJKGJ-QHCPKHFHSA-N 449.453 5.455 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)cc(OC)c3o2)[C@H]1c1ccccc1C 170277208 PIKKKVYBCLZGHM-HXUWFJFHSA-N 439.895 5.392 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccco2)ccc1Br 170293120 FRNSPQBYPNSPOQ-LJQANCHMSA-N 444.325 5.262 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3c(c2)C[C@H](C)O3)=C(O)C(=O)N1c1ccccc1 170315015 WOVIFAQTXPPRMH-BTYIYWSLSA-N 431.513 5.163 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2sccc2C)cc1Cl 170319607 CVXFWLRMCNSSFP-GOSISDBHSA-N 431.941 5.239 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1cccc(Oc2ccccc2)c1 170455456 RVBUNOLOEUXNOO-XMMPIXPASA-N 447.556 6.051 30 10 IKEE CCCCCCCOc1cccc(NC(=S)NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c1 206637442 FIGLLTHTKWTVRG-QINSGFPZSA-N 441.553 5.470 30 10 IKEE CCc1ccc(/C=C2\SC(=Nc3cccc(C)c3C)N(c3cccc(C)c3C)C2=O)cc1 252621894 NJKRWTLERJDADA-AEALBBRZSA-N 440.612 7.291 30 10 IKEE COc1ccc(C=NOC(=O)COc2cccc(Cl)c2)cc1COc1ccc(F)cc1 252623656 OWJKLMOYEVTDJW-UHFFFAOYSA-N 443.858 5.023 30 10 IKEE O=C1c2ccccc2N[C@H](c2cccc3cccnc23)N1N=Cc1cccc2cccnc12 252634649 WPVWBYOJTFBRAC-SANMLTNESA-N 429.483 5.384 30 10 IKEE CCc1ccc(C=NNC(=S)Nc2ccccc2)cc1COc1ccc(NC(C)=O)cc1 254462099 DZXLCUUIFKYDIB-UHFFFAOYSA-N 446.576 5.107 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)ccc1Br)NCC 407599236 POTJSGFVEKKZGH-IAGOWNOFSA-N 431.802 5.093 30 10 IKEE CCCOc1c(Cl)cc(/C=N\n2cnnc2SCc2ccc(C)cc2C)cc1Cl 526810657 FVRMJIOAAYHTSS-GATIEOLUSA-N 449.407 6.165 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccccc2F)c(C)c1 526812362 QNBNQORJIGMVQR-YUMHPJSZSA-N 430.552 5.799 30 10 IKEE CCCCCCCCCCCCOC(=O)c1sc2nc(-c3cccnc3)ccc2c1N 675030279 XTQMWKTYVBZVSH-UHFFFAOYSA-N 439.625 7.018 30 10 IKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(Br)cc(Br)c1 698409632 VVTTYFVSBIAWFL-IAQYHMDHSA-N 446.183 5.812 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)c2cc(Br)ccc2F)c1 698471222 TZDLVAITBAVSLY-OAQYLSRUSA-N 433.321 6.077 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@](C)(C#N)Cc1ccc(Br)cc1 698901291 IIHRVNPPXLJAKL-NRFANRHFSA-N 449.776 6.369 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccc(C)c(Br)c1C 719635571 VLJMAPDPSSOEKR-IBGZPJMESA-N 429.358 6.381 30 10 IKEE C=C1CCC(C[C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)CC1 724569999 NIRAQBFHXZULLL-GVXSCFBNSA-N 444.660 5.990 30 10 IKEE CCC(C)=NNc1nc2cc(C)c(NC(=O)COc3ccc(OC)cc3)c(C)c2s1 1081379620 TWNQBMKEULCGJN-UHFFFAOYSA-N 426.542 5.137 30 10 IKEE O=C1/C(=C/c2ccc(N3CCCCC3)o2)SC(=Nc2ccccc2)N1Cc1ccccc1 1083961578 MMFYTTVLFROKTD-HMVJOEOJSA-N 443.572 6.074 30 10 IKEE CCc1ccc(N=C(C)c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)cc1 1084142527 OCQPBHIFHGOJBS-UHFFFAOYSA-N 428.557 6.344 30 10 IKEE C[C@@H](Sc1nc2ccc(N=Cc3ccc(F)cc3)cc2s1)C(=O)Nc1nccs1 1084570478 GHGMIROQACHFER-GFCCVEGCSA-N 442.566 5.762 30 10 IKEE C=CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC=C(C(F)(F)F)CC1 1705813051 UMMFNMSLRNBVPJ-UHFFFAOYSA-N 428.462 5.000 30 10 IKEE Cc1csc(N=C2S/C(=C/c3c(F)cccc3Cl)C(=O)N2c2ccccc2)n1 1772734994 DZJNAMQYMBLKLM-PWSGBSGUSA-N 429.929 6.053 30 10 IKEE CC[C@H](Oc1ccccc1/C=C1/SC(=Nc2ccc(C)cc2O)N(CC)C1=O)C(C)=O 1772762172 BTMPEGZVTWFTBJ-SPIURHJSSA-N 438.549 5.071 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)CCCOc1ccc(C)cc1 1861682766 ZXAQLSVSUWOBFT-VWLOTQADSA-N 446.676 6.086 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(CCCC)cc2)n(Cc2ccccc2Cl)n1 1862334553 KGIHSUMLXXGLLV-UHFFFAOYSA-N 448.010 6.409 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2Cc2ccco2)c1 1862379504 CWINATIWHMLPMZ-FQEVSTJZSA-N 442.298 5.673 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2cccc(C)c2)c1 1862413488 FAFWBTAXXMNCMK-HSZRJFAPSA-N 449.453 5.060 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@H]1c1ccccc1F)c1ccccc1Cl 1862430458 KPCQHUONZIWIHW-NRFANRHFSA-N 439.845 5.397 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(Cl)cc1)c1ccccc1Cl 1862431620 KWPJPQKIBISGIG-FQEVSTJZSA-N 430.331 5.904 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1 1862443023 MEUSAYVJHNACOH-UNMCSNQZSA-N 443.946 6.416 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@H]2c2ccc(C)cc2)cc1 1862475553 PGGXKKUCAAXXPV-QHCPKHFHSA-N 431.919 5.735 30 10 IKEE COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC2=CCCCC2)ccc1O 1862480880 QVFZIKKFKVEIHK-DEOSSOPVSA-N 447.531 5.178 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2cccc(Cl)c2)c1 1862491610 XNHOQBLOESRSBI-AMHTUMDSSA-N 437.967 6.114 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cccc2ccccc12 1862494096 FORZPQWKMPBLFH-RUZDIDTESA-N 443.543 5.462 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccccc1C(=O)O 1862616852 TXBCSSFTBHCVJO-BTYIYWSLSA-N 435.520 5.059 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cc(Cl)cc(Cl)c1 1862632184 LKQYUDOEYQHVCK-WLRWDXFRSA-N 448.302 5.099 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccc(C)cc2)cc1F 1862636219 BJSQRPYPBLVZER-MZNJEOGPSA-N 445.490 5.482 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2ccc(F)cc2)c1 1862661210 UQZZKBSBIGLDGZ-RUZDIDTESA-N 443.518 6.036 30 10 IKEE COc1cc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCC(C)C)ccc1O 1862667243 WTEBXJYYIZVSPL-QHCPKHFHSA-N 437.536 5.149 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 1862691062 XISMXGVPWFHWTL-CWTRNNRKSA-N 434.319 5.379 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc(F)cc2F)cc1 1862691834 WTOVQSPIRMGIDM-JEWAVWJGSA-N 441.474 5.130 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCOC(C)C)=C(c2ccc(F)cc2)C1=O 1863507363 MCBGUPJKCIULTG-UHFFFAOYSA-N 446.607 5.451 30 10 IKEE CCCC[C@@H](NC(=O)C[C@@H](c1ccc(Cl)cc1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866764927 XJQFAURTBYCVMQ-DHIUTWEWSA-N 439.987 5.655 30 10 IKEE C=CCOc1ccccc1OCC(=O)N1CC(C)(C)c2ccccc2[C@@H]1c1ccccc1 1868115467 JMICMHRUXXXXMX-MHZLTWQESA-N 427.544 5.540 30 10 IKEE CC(C)c1ccc(Cn2nnc(C#N)c2NC(=O)[C@H](Cc2ccccc2)c2ccccc2)cc1 1870108693 TYXFHEPRAIHUJU-RUZDIDTESA-N 449.558 5.286 30 10 IKEE C=CCn1cc(OCCCOc2ccc(CC)cc2)c(=O)cc1CSc1ccccn1 1870267635 LQWRVCPZENYWQZ-UHFFFAOYSA-N 436.577 5.132 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)OCC)c(=O)cc1CN1CCCCCC1 1870696118 XNMVCLQLNFSKDZ-UHFFFAOYSA-N 448.648 5.307 30 10 IKEE CCCCCN1COc2ccc3c(c2C1)O/C(=C\c1cccc(Br)c1)C3=O 1871346596 NLYUCOYUEDGHJD-NDENLUEZSA-N 428.326 5.407 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(Cl)cc4[N+](=O)[O-])c3C)C2=O)c1 1871373278 VSBKBJWTJLZRNB-NHDPSOOVSA-N 449.846 5.700 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OC(=O)Cc4cccc5ccccc45)cc(C)c3C2=O)c1 1871376393 ISJLPDWXMLULEH-YSMPRRRNSA-N 434.491 6.221 30 10 IKEE CC(C)=C1Oc2c(ccc(OC(=O)c3ccc(OC(=O)c4cccs4)cc3)c2C)C1=O 1871392136 RCMIRJNGICHTSU-UHFFFAOYSA-N 434.469 5.364 30 10 IKEE COc1ccc2c(c1)c(/C=C1\Oc3cc(OCCOc4ccccc4)ccc3C1=O)cn2C 1871397298 KQMWZJUROFTUMH-WGARJPEWSA-N 441.483 5.261 30 10 IKEE CCCCCCCCN=c1[nH]c(=N[C@@H](C)c2ccccc2)[nH]c(=N[C@H](C)c2ccccc2)[nH]1 1871462154 LEVVLRQGRLBWEK-SZPZYZBQSA-N 446.643 5.256 30 10 IKEE CCCCCCCCCCN=c1nc(N(C)CCCC)[nH]c(=Nc2cccc(OC)c2)[nH]1 1871666084 NBAVFYWNHRMTGT-UHFFFAOYSA-N 442.652 5.257 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(Nc2ccccc2)cc1)S(=O)(=O)CC 1872145426 PIAYXECQCABDQQ-HSZRJFAPSA-N 443.613 5.011 30 10 IKEE C=CCN([C@H](C(=O)Nc1cc(C)ccc1C)C(C)C)S(=O)(=O)c1c(C)cc(C)cc1C 1872549097 AGULMCHRRAMMCZ-QHCPKHFHSA-N 442.625 5.069 30 10 IKEE N#Cc1cccc(NC(=O)c2ccc3[nH]c(-c4ccc(OCc5ccccc5)cc4)nc3c2)c1 1872735391 RLRMDPFOTAUWCW-UHFFFAOYSA-N 444.494 5.933 30 10 IKEE Cc1cc(-c2csc([C@H](C#N)C(=O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)ccc1F 1872773164 XSHFVLZSGMJFCE-PWIZWCRZSA-N 447.535 5.044 30 10 IKEE CC(C)c1ccc(-c2csc([C@H](C#N)C(=O)c3c(Cl)ccc(Cl)c3Cl)n2)cc1 1872776318 NLZXDLHQOFKDJO-CQSZACIVSA-N 449.790 7.384 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@@H](C#N)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 1872780241 DDVZQOFZJVJCHC-INIZCTEOSA-N 441.896 5.487 30 10 IKEE N#Cc1cccc(NC(=O)c2ccc3nc(COc4cc(Cl)ccc4Cl)[nH]c3c2)c1 1872804893 PUUABJGJFRAYAB-UHFFFAOYSA-N 437.286 5.573 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)cc2C)cc2c(NCCc3ccccc3)ncnc21 1873607012 KJXTUKGKNJNDBJ-UHFFFAOYSA-N 445.954 5.486 30 10 IKEE CCOc1ccc(CCc2nnc(SCC)n2/N=C/c2ccc(Cl)cc2)cc1OC 1874200289 UJAGRWOVQGCRBG-BUVRLJJBSA-N 444.988 5.118 30 10 IKEE CCCOc1ccc(/C=N/n2c(COc3ccc(OCC)cc3)nnc2SCC)cc1 1874235613 RMLBJPFFERPGOR-LFVJCYFKSA-N 440.569 5.039 30 10 IKEE C=CCSc1nnc(COc2ccccc2Cl)n1/N=C/c1cccc2ccccc12 1874267894 VKFSTHQXIDPWFO-MFKUBSTISA-N 434.952 5.824 30 10 IKEE CC(C)c1ccc(/C=N/n2c(Cc3cccc4ccccc34)nnc2SCCO)cc1 1874271701 JDKFXGUUKAMIPB-YZSQISJMSA-N 430.577 5.112 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cc(C)ccc3C)n2/N=C/c2cccc(O)c2)cc1 1874389632 WTDSZPMXSVDGFH-JVWAILMASA-N 442.588 5.674 30 10 IKEE C=C(C)CSc1nnc(Cc2cccs2)n1/N=C/c1ccc(OCC)c(OCC)c1 1874412797 WOQSWQNLANLHQG-OEAKJJBVSA-N 442.610 5.278 30 10 IKEE Clc1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2ccco2)cc1Cl 1874424234 AZMUJQMBPVFUHS-UFFVCSGVSA-N 435.361 6.081 30 10 IKEE FC(F)(F)c1nnc(SCc2cccc(Cl)c2)n1/N=C/c1cccc2ccccc12 1874462959 MSPZCBZCPQYAGH-RPPGKUMJSA-N 446.885 6.278 30 10 IKEE Fc1cccc(CSc2nnc(-c3ccco3)n2/N=C/c2ccc(Cl)c(Cl)c2)c1 1874466078 QEEGOMOMSOUJAG-BHGWPJFGSA-N 447.322 6.159 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1/N=C/c1ccc(CC)cc1 1874475105 JHZZJRNZMUFICY-WGOQTCKBSA-N 449.624 5.413 30 10 IKEE CC(C)c1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1cccc2ccccc12 1874510763 ZCNFGNFHDCVYLC-VULFUBBASA-N 447.539 5.307 30 10 IKEE CCOc1cc(/C=N/n2c(SCC)nnc2C2CC2)ccc1OCc1ccc(C)cc1 1874518628 CEQBXTCTQSKPIF-MFKUBSTISA-N 436.581 5.436 30 10 IKEE Cc1ccc(Cc2nnc(S)n2/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 1874561175 GZTSOGHFSHOFIH-CVKSISIWSA-N 448.979 5.581 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cccc(OC)c1OCC(=O)Nc1cc(C)ccc1C 1874577173 ZVSMHKCQTRFANY-CCEZHUSRSA-N 445.515 5.234 30 10 IKEE O=C(COc1ccccc1/C=C/C(=O)c1cccc2ccccc12)Nc1ccccc1F 1874582484 PTOGYVYMPPKHKT-WUKNDPDISA-N 425.459 5.893 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl)c1ccc2c(c1)OCO2 1874583059 VABITSIQZKWUFY-QPJJXVBHSA-N 445.273 6.336 30 10 IKEE CCN(CC)C(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1c(C)cc(C)cc1C 1874590188 XNDCFHKPIRHKES-BUHFOSPRSA-N 429.560 5.908 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1cccc2ccccc12 1874597488 PORFPMBLBVQRMS-SDNWHVSQSA-N 433.334 7.622 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2cccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)c2)c1 1874597526 RDGZJZKJIKUXQV-NTEUORMPSA-N 441.571 6.515 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1F 1874616127 ZFQUWJQOGNNXQP-YRNVUSSQSA-N 445.317 7.006 30 10 IKEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1Br 1874618469 CGZYREZVXRPDCF-XBXARRHUSA-N 435.289 5.125 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c1 1874630695 OYJCCCOZBJHUJT-OQLLNIDSSA-N 436.935 6.613 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@H](C)Oc3ccc(Cl)cc3)c2)cc1 1874694443 CRFIERADONJSHV-WBNHJWIASA-N 434.919 6.171 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)cc1 1874694778 TUNAFYFWGKPQAB-MDWZMJQESA-N 435.863 5.926 30 10 IKEE CCCc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 1874698335 QYVUNBNUGKRLQB-CXUHLZMHSA-N 445.471 5.428 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)C(C)C)c2)cc1OCCC 1874699844 POOUYHLGSLDIHR-DHZHZOJOSA-N 440.536 5.730 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3ccc(Cl)cc3)c2)cc1 1874701319 MDPCZDCPYAIQJZ-GIDUJCDVSA-N 436.891 5.619 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)OCO4)c2)cc1 1874707637 PAFMSCCYHDFVGT-NTUHNPAUSA-N 428.484 5.828 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC(=O)c1ccc(C)cc1 1875085152 RMIQTVLPEKLLTI-FMIVXFBMSA-N 447.443 5.036 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)cc2)cc1Cl 1875114158 MEWVFHZOQRBNIH-MHWRWJLKSA-N 428.956 6.901 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CSc3ccccc3)c(OC)c2)cc1 1875131394 WLDIVFAIGZQRPV-OQLLNIDSSA-N 448.540 5.688 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccc(CC)cc3)cc2)cc1 1875137516 QBBCRBPZNCTINE-YBFXNURJSA-N 442.555 6.472 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCOC)c(Br)c2)cc1 1875138739 VFEVWTLYUVXNBO-ONNFQVAWSA-N 447.325 5.076 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OC(=O)[C@@H](C)c1ccccc1 1875156426 ZTGKPOKLTRQBOE-UQCBTIDJSA-N 436.507 6.454 30 10 IKEE C[C@@H]1C[C@](C#N)([C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)[C@@H](C)O1 1875689166 CERNWJGXORKJOG-WFWYVRNUSA-N 443.543 5.585 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1880357495 QAPMEYABPSYPCV-CLOONOSVSA-N 443.588 5.353 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@@H](C#N)c1ccc(Cl)c(Br)c1F 1912153293 FVDPDPAFAPUCLI-LBPRGKRZSA-N 446.708 5.744 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)C1(CCC)CCN(C(=O)OC(C)(C)C)CC1 1922091138 GKBJNBLGOSVNSC-HSZRJFAPSA-N 430.633 5.555 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NC)c1cccn1C1CCN(C(=O)OC(C)(C)C)CC1 1922125265 MFHCTZMSZGSCID-XMMPIXPASA-N 439.600 5.094 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 1924921972 XVGKEYCICSIOTC-AVRWGWEMSA-N 447.620 5.533 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)[C@@H]2CCC[C@@H]21 1926543294 WAEYGUFCVFTQHH-IMWIBFENSA-N 433.593 5.238 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C1(C)C 1988071395 QLPFMEDFQZAUQO-QFIPXVFZSA-N 435.952 5.373 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@@]2(C)CCN2C(=O)OC(C)(C)C)c1 1999896501 IRBZWGDDNYHBBU-RPWUZVMVSA-N 429.561 5.418 30 10 IKEE CC1(C)CC=C(C(=O)C2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)CC1 2010780505 VJWVVAHOCHAOAD-UHFFFAOYSA-N 426.601 5.252 30 10 IKEE CCCCCCCCCC[C@@H](NCC)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2034427435 XRKYYBDOVJYODY-RPBOFIJWSA-N 448.692 6.605 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@]1(C#N)CN(Cc2ccccc2)C2(CCC2)C1 2037914874 QDWNXBMHZJMLGD-AREMUKBSSA-N 435.543 5.658 30 10 IKEE CC(C)(C)OC(=O)NCC[C@@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C1 2038869257 LUDIZAGTJNACMF-DFBJGRDBSA-N 443.588 5.795 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@]12CCCC[C@H]1N(C(=O)OC(C)(C)C)CCC2 2046612919 XDISHNLUXLGFPG-DXBVXKBHSA-N 442.644 5.697 30 10 IKEE CC(C)(C)c1nn([C@H](c2ccc(C3CC3)cc2)C2(C)CC2)c(Br)c1/C=N/O 2079070035 ZXWXLXDTEPOOPB-NZYROCMPSA-N 430.390 6.018 30 10 IKEE Cc1nn([C@@H](c2ccc(C(F)(F)F)cc2F)C(C)(C)C)c(Br)c1C=NO 2079880724 QESLWPCMZXPTCR-AWEZNQCLSA-N 436.247 5.556 30 10 IKEE C=CCCCCCCCCCC(=O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2086283735 ZSCAVGAJGQFAKO-DEOSSOPVSA-N 445.644 6.753 30 10 IKEE O[C@H](CC#CC1CCCCC1)c1ccc(I)c(Br)c1 2093463279 SDFQXACKGHRKCO-MRXNPFEDSA-N 433.127 5.061 30 10 IKEE CC(C)(C)[C@@H]1CCSC(=NCc2scc(Br)c2Br)N1 2094176416 BFTKULVGYLLIKQ-JTQLQIEISA-N 426.243 5.270 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(Br)ccc(Cl)c1F 2102883056 UXQYTPQEESZRFD-YOEHRIQHSA-N 447.776 5.199 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCC(C)(C)C[C@@H]2OCc2ccccc2)cc1 2105746488 ASWKPTBJGFABJV-RBJSKKJNSA-N 448.607 6.794 30 10 IKEE CN(Cc1cccc(CNc2ccc(Br)cc2C#N)c1)C(=O)OC(C)(C)C 2162328169 MLRZXYOIDISSII-UHFFFAOYSA-N 430.346 5.300 30 10 IKEE COC1C(C)(C)C(C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Br)C1(C)C 2169333848 ODLZAXBYHVLUQU-UHFFFAOYSA-N 437.378 5.534 30 10 IKEE CCN[C@@H](CC#C[Si](C)(C)C)c1cc(Cl)c(NC(=O)OC(C)(C)C)c(Cl)c1 2187469191 XADURVGVRNRLCO-KRWDZBQOSA-N 429.464 6.262 30 10 IKEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N(Cc1ccccc1)[C@H](C)C(C)C 2247931626 MYBRWJJKNIOHQB-GOSISDBHSA-N 427.419 5.043 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)C[C@@H]2CCC[C@H]21 2250797868 YASUXWHXMPNMKS-LNEBKTTKSA-N 428.617 5.211 30 10 IKEE C=CCCC1([C@@H](N)c2sc(C)c(Br)c2C)CN(C(=O)OC(C)(C)C)C1 2255000910 HHQHPHIHKPIFFB-INIZCTEOSA-N 429.424 5.331 30 10 IKEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cccc(Cl)c1Br 2259400240 FTNVCAYEDLETJD-RDJZCZTQSA-N 429.786 5.060 30 10 IKEE C=CCCC1([C@H](NCCC)c2sncc2Br)CN(C(=O)OC(C)(C)C)C1 2266306763 AIXZYRANJPBJAG-MRXNPFEDSA-N 444.439 5.150 30 10 IKEE C=CCCC1([C@@H](NCCC)c2occc2Br)CN(C(=O)OC(C)(C)C)C1 2266313643 WAKRBILJLRIHAW-KRWDZBQOSA-N 427.383 5.286 30 10 IKEE CC(C)(C)OC(=O)NCc1c(Cl)cccc1Nc1ncc(Br)cc1C#N 2268616374 GSAGAEGAEUKDFJ-UHFFFAOYSA-N 437.725 5.137 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)c1ccc(C)c(Br)c1C 2291616169 PDHKVMTWLCXHQV-QFIPXVFZSA-N 433.342 5.371 30 10 IKEE C=C([C@](C)(OCCCN)c1cc(Br)c(Br)s1)[Si](C)(C)C 2294329247 AGBUPJASBHWDSX-AWEZNQCLSA-N 441.305 5.287 30 10 IKEE CN[C@@H](C#Cc1cccc(Br)c1)[C@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C 2296215971 GFRLESYNLFYXIV-OALUTQOASA-N 437.422 5.060 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)CCC(C)(C)NC(=O)OC(C)(C)C 2296218816 ILVCELYVDRAFSI-IBGZPJMESA-N 437.422 5.252 30 10 IKEE CCc1ccc(-c2nc(C)c(C(=O)C=C3NCCc4cc(OC)c(OC)cc43)s2)cc1 2296223265 KXYVMHWSVNSIQI-UHFFFAOYSA-N 434.561 5.068 30 10 IKEE O=C1C(=Cc2c(F)cccc2Cl)Oc2cc(OCc3ccc(F)cc3Cl)ccc21 2314438397 RDYLZYRCFAPSJZ-UHFFFAOYSA-N 433.237 6.467 30 10 IKEE CCOc1ccc2c(c1)OC(=Cc1cccc(OCC)c1OC(=O)c1ccccc1C)C2=O 2314527226 KPWVXRKKAKXHBD-UHFFFAOYSA-N 444.483 5.628 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CC2)cc1 2320858382 JPVPLYATIRCDRJ-UHFFFAOYSA-N 425.001 6.281 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(F)cc1F 2321048124 VCPBXPCRINKACW-UHFFFAOYSA-N 427.307 5.600 30 10 IKEE COc1cc(C=Nn2cnnc2SCCc2ccccc2)ccc1OCc1ccccc1 2321286889 UGUJFPDNPOJLTJ-UHFFFAOYSA-N 444.560 5.083 30 10 IKEE Cc1ccc(C)c(COc2ccc3c(c2C)OC(=Cc2ccc(Cl)cc2Cl)C3=O)c1 2321758164 ZCOGTOYOQIQJEC-UHFFFAOYSA-N 439.338 7.114 30 10 IKEE Cc1cc(OCc2ccccc2F)cc2c1C(=O)C(=Cc1c(Cl)cccc1Cl)O2 2321796422 CZUDXKNOCJOAAF-UHFFFAOYSA-N 429.274 6.636 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(N(C)C)cc1)O3)CN(Cc1ccccc1)CO2 2321981791 QRMKFBQSROWUIJ-UHFFFAOYSA-N 426.516 5.029 30 10 IKEE CCCCC1CCC(c2nnc(S)n2N=Cc2ccc(OCc3ccccc3)cc2)CC1 2322107150 OQYSZGCXTJACPX-UHFFFAOYSA-N 448.636 6.492 30 10 IKEE CCOCCCN1COc2ccc3c(c2C1)OC(=Cc1c(Cl)cccc1Cl)C3=O 2322145658 OQNXUBUOMMQHHU-UHFFFAOYSA-N 434.319 5.188 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccco1)O3)CN([C@H](C)C13CC4CC(CC(C4)C1)C3)CO2 2322263175 HTLKVSBSFSOTOI-LREROPASSA-N 445.559 5.961 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(F)cc1)C3=O)CN(CCc1ccc(F)cc1)CO2 2322286682 HBJMIDVEZUQORW-UHFFFAOYSA-N 433.454 5.284 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccccc1Cl)C3=O)CN(CCc1ccc(F)cc1)CO2 2322286744 VVWMNXKDGPHSLA-UHFFFAOYSA-N 449.909 5.798 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(Cl)cc2Cl)c1OCc1ccc(Cl)cc1 2322391237 XOSGJDSVFIZHPI-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1ccc(F)cc1)c1ccc(Br)cc1 2322427340 NUXBFGNYHFWMHB-UHFFFAOYSA-N 445.715 6.717 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccccc1OCc1ccc(C)cc1 2322828322 YYJFWJNOWUSGHL-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE CCN(CC)C(=O)COc1ccc2ccccc2c1C=CC(=O)c1c(C)c(C)cc(C)c1C 2322842631 YLWISZRAJNREOL-UHFFFAOYSA-N 443.587 6.217 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(C)c(C)c2)c1OCc1cc(C)ccc1C 2322894778 GHUKGPZXYMKCNW-UHFFFAOYSA-N 434.963 7.057 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OC(=O)Cc4ccc(Cl)cc4)cc(C)c3C2=O)cc1 2322901068 TWWAYNFQHRUGOK-UHFFFAOYSA-N 448.902 5.811 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O)c1cccc(Br)c1 2322930389 VIFXDPBCSIFKKJ-UHFFFAOYSA-N 447.284 5.841 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cccc(OCc2nc(O)c3ccccc3n2)c1 2323260310 SDFXPOHAAFRQIE-UHFFFAOYSA-N 440.499 5.436 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OCc1cccc(F)c1 2323421447 JOBCWYMGZJFCCV-UHFFFAOYSA-N 446.518 6.197 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Cl)c1OCc1ccccc1F 2323723792 DZKDJFKOBXPIPP-UHFFFAOYSA-N 446.852 6.631 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3Cl)c(Br)c2)cc1 2323900589 JENOXGYENQDDFA-UHFFFAOYSA-N 441.752 6.886 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3cccc(Cl)c3)c([N+](=O)[O-])c2)cc1F 2324111202 UWRFBSSQTVCLGG-UHFFFAOYSA-N 441.842 5.871 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OCC(=O)OCC(C)C)c(Cl)c1 2324693978 OQVMPLLZFZFJCS-UHFFFAOYSA-N 437.319 5.476 30 10 IKEE CCOc1ccccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccc(F)cc1)C2=O 2324895365 YHMGZNQHCKSGJD-UHFFFAOYSA-N 447.462 5.167 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(O[C@@H](C)C(=O)Nc4c(C)cccc4C)c3C)C2=O)o1 2325145520 OPSBKLHXEHUIBT-SFHVURJKSA-N 431.488 5.535 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2c(c1)OC(=Cc1c(F)cccc1Cl)C2=O 2325196349 ZHKXBOSAUDMAEF-UHFFFAOYSA-N 431.891 5.123 30 10 IKEE Cc1ccccc1C=Nn1c(CCc2ccccc2)nnc1SCc1cccc(Cl)c1 2325467589 LLDPQTRXGNFESI-UHFFFAOYSA-N 447.007 6.200 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1c(Cl)cccc1Cl 2325512560 DVBCUESAAIITEI-UHFFFAOYSA-N 437.371 6.241 30 10 IKEE CCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccc(C(F)(F)F)cc1 2325548707 UVHSBFFARLSOJP-UHFFFAOYSA-N 449.458 5.332 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCCc3ccc(OC)cc3)cc(C)c2C1=O 2325631797 HLTCSXUPOLGQTK-UHFFFAOYSA-N 430.500 5.640 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(-n3cccc3)cc2)c1)c1cccc([N+](=O)[O-])c1 2325686669 WPXLDNQTGOYLDP-UHFFFAOYSA-N 438.439 5.501 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)c1C 2325737924 LSKVBTXGQUWDNS-UHFFFAOYSA-N 425.484 5.493 30 10 IKEE COc1cccc(C(=O)Oc2cc(C=CC(=O)c3c(C)c(C)cc(C)c3C)ccc2OC)c1 2325756422 IWBAALFGMVFAMA-UHFFFAOYSA-N 444.527 6.053 30 10 IKEE COc1cc(C(=O)C=Cc2cccc(OC(=O)c3ccccc3C)c2)c(OC)cc1Cl 2325759087 OIIFRPMVGAXNOF-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc([N+](=O)[O-])cc1 2328056365 HHDKHNZPXWTQND-UHFFFAOYSA-N 441.944 5.175 30 10 IKEE COc1ccccc1OCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccccc1 2328243818 OKZHNOLNIRULQY-UHFFFAOYSA-N 448.523 5.179 30 10 IKEE COc1ccccc1OCc1nnc(SCc2ccccc2)n1N=Cc1ccccc1F 2328280341 ZYACEOHKSXXQBP-UHFFFAOYSA-N 448.523 5.179 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2ccc(F)cc2)n1N=Cc1cccn1C 2328551015 GXCMKTJRYHLQMX-UHFFFAOYSA-N 449.555 5.126 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2cccs2)n1N=Cc1ccc(F)cc1 2329636083 RWKBHOFCZFKVFD-UHFFFAOYSA-N 436.581 5.747 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(F)cc2)n1N=Cc1c(F)cccc1Cl 2330814637 UAVPACSSYLCMHU-UHFFFAOYSA-N 434.943 5.973 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccc(OC)cc3)cc2)cc1 2330825677 LDHJVNNONBPGMH-UHFFFAOYSA-N 444.527 5.918 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2[C@@H]2CCCO2)cc1 2330888664 DLIRJBYWVAHUGK-QFIPXVFZSA-N 436.581 5.401 30 10 IKEE CSc1nnc(C2CCCC2)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2331017188 AYGZKFIRHVMHMW-UHFFFAOYSA-N 426.973 5.772 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCC(=O)Nc3ccccc3)nnc2C2CCCC2)cc1 2331019790 YXADRGJGKXMVDJ-UHFFFAOYSA-N 447.608 5.672 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2ccc(F)cc2)nnc1C1CCCC1 2331033883 FFROMXUSDQDGJS-UHFFFAOYSA-N 438.572 6.038 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C(F)(F)F)c1 2331150342 MJVWTUSRXYNBFY-UHFFFAOYSA-N 426.851 5.133 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)Cc1ccc(OC)cc1 2331230108 RBZDVKSYVRZEEM-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cccs3)c(Cl)c2)cc1 2331300758 LAJTXSSLWAHEND-UHFFFAOYSA-N 440.948 6.235 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(C)c3)cc2OC)cc1 2331348886 XWYCQOLMQCRUNW-UHFFFAOYSA-N 448.490 5.586 30 10 IKEE CC(C)(C)c1nnc(SCCc2ccccc2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2331397991 QVRFDSSRMMANQY-UHFFFAOYSA-N 443.960 5.354 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 2331402101 OMDNJSXFRHANJP-UHFFFAOYSA-N 439.464 5.138 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1 2331491699 DSTKHYLBSYPENO-UHFFFAOYSA-N 449.890 6.487 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C(C)C)c1 2331705458 QEFUYSODMHDNJT-UHFFFAOYSA-N 435.380 5.897 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)COc2ccccc2)cc1 2331780538 LZKFQAWFMNAEHL-UHFFFAOYSA-N 428.528 6.173 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)c(OC)cc2C)ccc1OC(=O)CCCSC 2331854074 CZGPACBDHAIXOS-UHFFFAOYSA-N 442.577 5.655 30 10 IKEE CCC[C@H](CCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339598391 CALVCUXPCKVSHA-OCKXMSAZSA-N 446.397 5.189 30 10 IKEE CC1(C)CCC[C@@](C#N)(Cc2ccc(I)c(Br)c2)CC1 2377406836 FVZPZWWUGSGKFY-KRWDZBQOSA-N 446.170 6.096 30 10 IKEE C=C(C)COc1ccc(NC(=O)c2ccc(OC[C@@H]3CCCO3)c(Br)c2)cc1 9925708 BZEKKMFPBRLRGE-IBGZPJMESA-N 446.341 5.214 30 10 IKEE C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccccc2)nnc1-c1ccc(Cl)cc1 20168989 ZRQSKCUFNSLSCD-CVEARBPZSA-N 426.973 5.143 30 10 IKEE CC(C)COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(OC(C)C)cc2)cc1 20881831 TYZDCDMEUGLVJL-XUZZJYLKSA-N 447.575 5.513 30 10 IKEE CCOc1cccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(Cl)c(Cl)c2)C3)c1 21223294 XFPRGJWLDCEMJE-DOTOQJQBSA-N 430.331 5.396 30 10 IKEE O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1ccc(O)c([N+](=O)[O-])c1)Nc1ccccc1N2 21238791 YFIUNLUYPHKXAU-FATZIPQQSA-N 433.489 5.341 30 10 IKEE COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)c1OC 21245200 PRBZTUZTOBNENM-MRDQGFSESA-N 444.506 5.822 30 10 IKEE CCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccc(CC)cc1)C2 21256588 BBGGGIFCHZHUNU-KCWXNJEJSA-N 438.571 6.627 30 10 IKEE COC(=O)c1ccc([C@H]2C3=C(C[C@H](c4ccc(Cl)cc4)CC3=O)Nc3onc(C)c32)cc1 28052310 DMOJYYSNYXAHLQ-HTAPYJJXSA-N 448.906 5.381 30 10 IKEE O=C1N/C(=N\N=C\c2ccco2)S/C1=C/c1ccc(-c2cccc(Cl)c2Cl)o1 33568147 ASFJUIYHAKWZQP-ZBQZEMJLSA-N 432.288 5.440 30 10 IKEE Cc1ccc(C(=O)/C=C\c2ccc(OC(=O)N(c3ccccc3)c3ccccc3)cc2)cc1 34954562 XQIPDDQXVYRKRP-PGMHBOJBSA-N 433.507 7.228 30 10 IKEE CCOc1ccc2oc(C)c(C(=O)Oc3ccc(C(=O)/C=C\c4ccc(F)cc4)cc3)c2c1 34955166 ZJLQYLJZUURRTA-NSIKDUERSA-N 444.458 6.394 30 10 IKEE CCc1ccc2oc(C(=O)c3c(C)c(C#N)c(=O)n([C@@H](C)c4ccccc4)c3O)c(C)c2c1 38623477 FJQIDZFZLKZKSS-KRWDZBQOSA-N 440.499 5.191 30 10 IKEE CC[C@@H](Sc1nnc2cc(C)c3cccc(C)c3n12)C(=O)Nc1sc(C)c(C)c1C#N 40170476 VGNNJUWBUXBLGB-GOSISDBHSA-N 449.605 5.559 30 10 IKEE CCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/Nc2ccc([N+](=O)[O-])cc2)CCC3)cc1 40814768 KLIGYCGFVWPYHP-NHFJDJAPSA-N 448.479 5.300 30 10 IKEE CC1CCN(Cc2c(O)ccc3c2O/C(=C\c2ccc(-c4ccccc4)cc2)C3=O)CC1 41512972 BEAKQUHEJYERMC-ONUIUJJFSA-N 425.528 5.907 30 10 IKEE C=CCNC(=O)c1cc(-c2csc(-c3ccc(OC)cc3)n2)n(Cc2ccco2)c1C 43251627 VEJVRYDSNSUDCW-UHFFFAOYSA-N 433.533 5.153 30 10 IKEE CCCCCCCCC(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc(C)c(F)c2)cc1 98022930 VXNVHNQTCVOTEH-RUZDIDTESA-N 442.600 6.602 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2cccc(OC(C)C)c2)cc1 100264138 OIZMZZIAIWNPBK-UHFFFAOYSA-N 428.598 5.950 30 10 IKEE C=CCNC(=O)c1cccc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@@H]1CC=C[C@H]21 100374697 ZHAPOXRISCLZND-JUMFHWHPSA-N 430.551 6.735 30 10 IKEE CCCCCCCC(=O)NN1C(=O)c2cc(Cl)ccc2N[C@H]1c1ccc(OC)cc1 101314365 VTIPQFDDWJOKQQ-JOCHJYFZSA-N 429.948 5.307 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)/C(=C(\O)c4ccco4)[C@@H]3c3ccc(F)cc3)sc2c1 102910981 RBUCHGOSYOAKIV-LCPUNJGISA-N 448.475 5.217 30 10 IKEE Cc1nc(N2C(=O)C(=O)/C(=C(\O)c3cccs3)[C@H]2c2cccc(Cl)c2)sc1C 103222554 WXJIVONQSKYAPY-CFBLSMTOSA-N 430.938 5.101 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2cccc(OC)c2)cc1 169935664 LYSYDSCTDOZEOI-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE Cc1ccc(-c2csc(N/N=C\c3cc(Cl)c(OCC(C)C)c(Cl)c3)n2)c(C)c1 169940108 HEXTZXAUNHZXIN-MRUKODCESA-N 448.419 7.215 30 10 IKEE CCCCCCCOc1ccccc1/C=N\Nc1nc(-c2ccc(Cl)cc2)cs1 169943003 KTRHQQGWHYFTTI-XYGWBWBKSA-N 428.001 7.259 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@@H]1c1ccncc1)c1c[nH]c2ccccc12 170020843 HCHSTCXUZZXGAD-RUZDIDTESA-N 445.478 5.499 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)c1 170054841 HSNSIRZWQXVBTK-QFIPXVFZSA-N 433.891 5.127 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccc(F)cc2)cc1 170061433 ZYDDQIPRABMARP-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2sccc2C)cc1 170105872 SMXBAFHLCWRPHR-OAQYLSRUSA-N 449.528 5.247 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2Cc2cccnc2)c1 170144750 GFDVYHNOMPFGLX-VWLOTQADSA-N 434.495 5.322 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccc(OC(C)C)cc1 170152144 XXWYATHAOALSCZ-XDHUDOTRSA-N 449.547 5.176 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1cccs1 170165751 OQSLYUWUMDVXSE-OAQYLSRUSA-N 427.566 5.612 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2cccnc2)ccc1OC(C)C 170184231 SETGUZIMZBYNQQ-QHCPKHFHSA-N 446.478 5.099 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2)ccc1OCC(C)C 170226305 BOMBBLOVNRMOEN-RUZDIDTESA-N 441.527 5.813 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccccc2)c1 170226441 GOQCFIXBFYIWTQ-QHCPKHFHSA-N 447.918 5.910 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@@H]1c1ccc(C(C)C)cc1 170245286 TUKSMKFFNSNMLK-QFIPXVFZSA-N 441.955 5.850 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@@H]1c1ccc(Cl)c(Cl)c1 170246657 NZTQDNXCRPTHMX-FQEVSTJZSA-N 446.330 5.307 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1cn(C)c2ccccc12 170269161 ULRYIRLATWEWMY-XMMPIXPASA-N 446.547 5.344 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1C 170277413 VDSNCVQQZVADNX-FQEVSTJZSA-N 432.347 6.070 30 10 IKEE CC(C)Oc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 170347190 LDXBBQQSJXUXET-DEOSSOPVSA-N 438.483 5.128 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(OC)cc2)cc1 170362332 WOKUHPJJCMMVMA-QFIPXVFZSA-N 449.528 5.328 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc(O)c2)cc1Cl 170385710 CGEODQZJRPKDGV-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cn(C)c3ccccc23)cc1 170394650 YHEYALAKRFAUHM-HSZRJFAPSA-N 442.540 5.585 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(C)c(C)c2)cc1 170453169 RBPHXDJOOYEAQH-VWLOTQADSA-N 434.580 5.665 30 10 IKEE CCCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]2c2cccc(C)c2)cc1 170460521 DCPRHJHEGJGDFP-OAQYLSRUSA-N 435.520 5.077 30 10 IKEE C=CCc1cc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccco3)C2=O)cc(OC)c1O 252640269 YSLXPAUGCBPIFW-JXJWTFEASA-N 446.528 5.527 30 10 IKEE C=CCn1c(SCc2nc(O)c3oc4ccccc4c3n2)nnc1-c1ccccc1C 488878710 NCHKIXJVQNHIKF-UHFFFAOYSA-N 429.505 5.127 30 10 IKEE Cc1cc(Cl)ccc1NC1=C(SCc2ccco2)C(=O)N(c2cccc(C#N)c2)C1=O 526645239 GTWRGXRSKAYNOY-UHFFFAOYSA-N 449.919 5.243 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(O)c(Cl)c2)c1 526773501 RYAXQBOUNXAIGA-JOCHJYFZSA-N 449.890 5.227 30 10 IKEE CCc1nnc(SCc2ccccc2)n1/N=C\c1ccc(OC(=O)c2ccccc2)cc1 526800007 UEBBXMKNXPIJTC-ONUIUJJFSA-N 442.544 5.234 30 10 IKEE CCCOc1c(/C=N\n2c(CCC)nnc2SCc2ccc(C)cc2)cccc1OC 526804601 YLHYJQQDQDUMTP-XYGWBWBKSA-N 438.597 5.511 30 10 IKEE COc1cc(/C=N\n2c(C)nnc2SCc2ccc(Cl)cc2)ccc1OC(C)C 526806775 UAVCYITUVDKEAB-FMCGGJTJSA-N 430.961 5.210 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1cccc(Cl)c1Cl 526811539 NAOBGHZUWUGSOF-MXAYSNPKSA-N 447.435 6.719 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccccc1C(F)(F)F 526821330 MWWHZPBQZOFLHF-VYYCAZPPSA-N 440.494 6.187 30 10 IKEE CCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1ccccc1C(F)(F)F 526822121 GHDJDGZBCNDNOK-ZMFRSBBQSA-N 429.471 5.296 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1cccc(OCC)c1OC 526822201 GRWASTXKJBXLBA-QQXSKIMKSA-N 449.580 5.074 30 10 IKEE C=C(C)CN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(CCCCCC)cc1 586179674 GNFSTJDLVQRIMU-UHFFFAOYSA-N 429.582 5.305 30 10 IKEE CCc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2cccc3ccccc23)cc1 586241667 FQQMYYGAXWKHRD-UHFFFAOYSA-N 426.541 5.669 30 10 IKEE Cc1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(OC(C)C)cc2)cc1C 586254639 UBXCOWAUCWPMKA-UHFFFAOYSA-N 434.561 5.358 30 10 IKEE C=C(C)CN(c1ccc(N2CCC(C)CC2)cc1)S(=O)(=O)c1ccc(OC(C)C)cc1 586256840 QAISPGCXINJIAK-UHFFFAOYSA-N 442.625 5.482 30 10 IKEE CCc1ccc(S(=O)(=O)N(C(=O)c2cccc(C#N)c2)c2ccc(Cl)cc2C)cc1 586262073 YADHGWHPJUZMFQ-UHFFFAOYSA-N 438.936 5.118 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)C1(C#N)CCC(C(F)(F)F)CC1 698496766 JEQNPLSZMSCHGL-UHFFFAOYSA-N 447.295 6.205 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CC[C@H](CNC(=O)OC(C)(C)C)C2)c1 724066586 CPEOPHDLVICVPL-UUOWRZLLSA-N 429.561 5.324 30 10 IKEE CCCCCCCC[C@H](NC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 822114017 SWOUACDPBFAQCJ-JYFHCDHNSA-N 431.665 5.494 30 10 IKEE N#CCOc1ccc(Cl)cc1C=Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2 1083909227 PLTKNGSBWYQLAX-UHFFFAOYSA-N 449.963 6.186 30 10 IKEE COc1cc(C=Nc2ccccc2C)ccc1OC(=O)c1sc2ccccc2c1Cl 1084479170 FRFPQSGATOKXHX-UHFFFAOYSA-N 435.932 6.842 30 10 IKEE Cc1cccc(N=C2S/C(=C\c3ccc(Cl)cc3Cl)C(=O)N2C2CCCCC2)n1 1772733860 AOBZRLPHSNRYTD-ZKZDLDBDSA-N 446.403 6.634 30 10 IKEE CN1C(=O)/C(=C/C=C/c2ccccc2[N+](=O)[O-])SC1=Nc1nc(-c2ccccc2)cs1 1772734381 CWSACVAGZAKVFE-GCLLLSTBSA-N 448.529 5.508 30 10 IKEE O=C1/C(=C\c2cccc(Cl)c2)SC(=Nc2cccnc2Cl)N1C1CCCCC1 1772734689 QMXHCVAWFCUREF-MRKXPFMVSA-N 432.376 6.325 30 10 IKEE CC(C)c1ccc(/C=C2\SC(=Nc3ccncc3Cl)N(c3ccccc3)C2=O)cc1 1772736042 JRJOYYUKCCMLTA-NEAWXCLQSA-N 433.964 6.667 30 10 IKEE Cc1ccccc1C(=O)Nc1cccc(OCC(=O)Nc2sc3c(c2C#N)CCCC3)c1 1860093313 XLCUWNDQFBNPAJ-UHFFFAOYSA-N 445.544 5.077 30 10 IKEE N#Cc1c(O)nc(SCCOc2cccc3ccccc23)nc1-c1cccc(Cl)c1 1860466529 YCGWTUDXWKUHAA-UHFFFAOYSA-N 433.920 5.699 30 10 IKEE CCCOc1ccc(/C=C/C(=O)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1OCC 1860728894 WJTWGMGZRSUOOY-RIYZIHGNSA-N 436.552 5.085 30 10 IKEE CC(C)c1ccc(-c2csc(SCC(=O)Nc3sc4c(c3C#N)CCC4)n2)cc1 1860796358 JQJJXIJQSGPUPJ-UHFFFAOYSA-N 439.631 6.086 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)c1ccc2nc(CC(C)C)[nH]c2c1 1861457681 MLXCRWMMYOIYFK-NRFANRHFSA-N 442.648 5.527 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)c1ccc(-c2ccccc2)cc1 1861481389 YUUGRCURQMRJJX-AREMUKBSSA-N 434.624 6.215 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCC(C)C)cc1 1862464510 ADZBEVJJJISFKV-HXUWFJFHSA-N 442.353 5.382 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1Cl 1862482061 IUOQAPDTAHFOTC-OAQYLSRUSA-N 446.374 6.460 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862502254 VFWGNQDDURESBW-DEOSSOPVSA-N 449.522 5.612 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc(Cl)cc2)ccc1F 1862503532 ZHUCHPSSYRCMBS-JEWAVWJGSA-N 441.930 5.945 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCCc3ccccc3)[C@@H]2c2ccc(F)cc2)c1 1862556409 VZHBYFLUQHTSAN-XMMPIXPASA-N 444.506 5.009 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(C)cc1 1862580377 IHKULHNVNQGDPY-HXUWFJFHSA-N 448.346 5.307 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cc(Cl)cc(Cl)c1)c1cccc(O)c1 1862597951 NWKHVWIXTZCSND-LJQANCHMSA-N 444.270 5.071 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(Cl)cc1Cl 1862632591 RVDHFRHJDPETNQ-WYRIXSBYSA-N 448.302 5.099 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccc1F 1862650087 NHHTTYBSRKOLSY-XMMPIXPASA-N 431.507 6.138 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCc2cccs2)c1 1862661266 VMEMYKBMYNYYCR-XMMPIXPASA-N 445.584 6.001 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862665791 OHYYUOLDMNIYEZ-QFIPXVFZSA-N 436.508 5.343 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 1862690226 KBNMMVBGYIGWKK-BFUOFWGJSA-N 433.426 5.091 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C2CC2)cc1 1862716927 RIVMSOVNXSEOFL-XMMPIXPASA-N 427.500 5.369 30 10 IKEE N#Cc1ccccc1NC1=C(c2ccc(Cl)c(Cl)c2)C(=O)N(c2ccccc2)C1=O 1862907784 FTKVAXXGZGCGFW-UHFFFAOYSA-N 434.282 5.262 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(F)ccc2F)=C(c2ccc(OC)cc2)C1=O 1863331323 GKYMJZOVBGAAPT-UHFFFAOYSA-N 442.506 5.526 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(N(CC)CC)cc2C)=C(c2ccc(OC(C)C)cc2)C1=O 1863357014 RTIYYOPKRFNFGU-UHFFFAOYSA-N 447.579 5.006 30 10 IKEE CC(C)Oc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(C3CCCCCC3)C2=O)cc1 1863363002 HUQGUHOBBMCGQL-UHFFFAOYSA-N 443.547 5.260 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2cc(C)ccc2C)C1=O 1863402461 XPDIGLANQDRILS-QFIPXVFZSA-N 429.564 5.726 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2C#N)=C(c2ccccc2OC)C1=O 1863436769 NXBHGLAXMPPWSI-UHFFFAOYSA-N 431.536 5.119 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(OC)c(OC)c2)C(=O)N(CCCC)C1=O 1863518317 CIGNMYCTGSMDJB-UHFFFAOYSA-N 444.616 5.314 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)NC1(c2ccccc2OC)CC1 1866029684 AZTYACKXPCQEPD-UHFFFAOYSA-N 429.689 8.062 30 10 IKEE C[C@H]1CN(c2cc(Nc3ccccc3C#N)nc(C(C)(C)C)n2)C[C@H](c2ccc(F)cc2)O1 1868350430 JLQRTQBISGSZCK-HTAPYJJXSA-N 445.542 5.495 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](CCCC)NC(=O)C[C@@H](c1ccc(OC)c(C)c1)C(C)C 1868718109 ANAJLSVROANMIX-PKTZIBPZSA-N 428.617 5.009 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3nc[nH]c3[C@H]2C)nc(-c2ccc(C(C)(C)C)cc2)n1 1869356970 CLCNTVJIJVAYGZ-LJQANCHMSA-N 442.611 5.466 30 10 IKEE Cc1cc(Cl)ccc1-n1nnc(C#N)c1NC(=O)/C(=C\c1ccccc1)c1ccccc1 1870142474 OYOCMIVSJPVCLJ-QNGOZBTKSA-N 439.906 5.280 30 10 IKEE Cc1ccc(OCC(=O)Nc2c(C#N)nnn2-c2cc(C(C)C)cc(C(C)C)c2)cc1C 1870146091 CSSNAQKHWQQOOT-UHFFFAOYSA-N 431.540 5.020 30 10 IKEE C=CCOc1cn(CCCCc2ccccc2)c(CSc2ccc(Cl)cc2)cc1=O 1870244633 ZXLZHNNVYKUDNC-UHFFFAOYSA-N 440.008 6.382 30 10 IKEE CCCCCCCCn1cc(OCCOc2cccc(C)c2)c(=O)cc1CN1CCCC1 1870770924 GEZCTSMSWZVVFJ-UHFFFAOYSA-N 440.628 5.571 30 10 IKEE C#CCOc1cn(Cc2cccnc2)c(CNc2cc(C(C)C)cc(C(C)C)c2)cc1=O 1871005571 MUJBDOAPOVEYLQ-UHFFFAOYSA-N 429.564 5.163 30 10 IKEE C#CCOc1cn(CCCCc2ccccc2)c(CNc2ccc(C(C)C)cc2)cc1=O 1871007311 VUGDFZPVTILMGZ-UHFFFAOYSA-N 428.576 5.619 30 10 IKEE CCCCCCCCCCN=c1nc2c(cnn2C)c(Nc2ccc(CCCC)cc2)[nH]1 1871298932 OTYBITODFBERET-UHFFFAOYSA-N 436.648 6.424 30 10 IKEE CC(C)(C)Oc1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2ccco2)C4=O)cc1 1871345244 ZMVYAWQSSXHJPB-QRVIBDJDSA-N 431.488 5.425 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1cccc(Br)c1)O3)CN(CCC(C)C)CO2 1871352746 ASSKTAHMZUWZMH-JAIQZWGSSA-N 442.353 5.572 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc([N+](=O)[O-])cc1)C3=O)CN([C@H]1CCCC[C@@H]1C)CO2 1871356228 ZUKXCNBBOYRBHU-ZGVSQEKUSA-N 434.492 5.250 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OC(=O)/C=C/c3ccc(F)cc3)ccc2C1=O 1871365706 FGNRRYZBHGPHAN-DHLMYGRGSA-N 430.431 5.459 30 10 IKEE Cc1ccc(OCCCCOc2ccc3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)cc1 1871406275 ZRRVJUQZHCGVNL-YSMPRRRNSA-N 444.483 5.578 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871412374 YNXAPHUJHHFNPC-SDPDQUOZSA-N 427.500 5.580 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OC(c3ccccc3)c3ccccc3)cc(C)c2C1=O 1871432039 ZUISOIDVPPPOSJ-IMRQLAEWSA-N 432.519 7.088 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2c(F)cccc2Cl)C3=O)cc1 1871453742 PDMGJJYKTWGLBS-UUYOSTAYSA-N 437.854 5.421 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871454109 BEGDBVCIQPZVPB-AJRXITOCSA-N 425.484 5.493 30 10 IKEE CCOc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2ccc(C(C)(C)C)cc2)cs1 1872772482 DZZFWMRGIYXHEI-LJQANCHMSA-N 434.561 5.762 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(F)cc3F)n2)c2ccccc12 1872787653 OQNVSKQPEABLHI-LJQANCHMSA-N 434.467 5.669 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@@H](C#N)C(=O)c2ccccc2Br)n1 1872788970 VSGVGLZRGDCHKR-AWEZNQCLSA-N 447.741 5.725 30 10 IKEE N#C[C@@H](C(=O)COc1cc(Cl)ccc1Cl)c1nc(-c2ccc(Cl)s2)cs1 1872789654 PZTAXYRQGBTCRH-JTQLQIEISA-N 443.764 6.087 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1cc2ccccc2n1C 1873501226 VVRQSHPNIGSZGD-DHRITJCHSA-N 441.963 5.689 30 10 IKEE Cc1ccc(N2CC(=O)C(c3nc(-c4ccccc4)c(-c4ccccc4)s3)=C2N)cc1C 1873527962 ZYXWHGKAGQMTCH-UHFFFAOYSA-N 437.568 5.811 30 10 IKEE C=CCn1c(C(=O)NCc2ccc(C)cc2)cc2c(N(CCCC)CCCC)ncnc21 1873595700 NVIGWUZYKNMFAB-UHFFFAOYSA-N 433.600 5.262 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(OC)cc2)cc2c(NCc3ccc(Cl)cc3)ncnc21 1873637577 INDMCCUYXXWXPV-UHFFFAOYSA-N 447.926 5.144 30 10 IKEE C=CCSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1ccc(N(C)C)cc1 1874226500 OCTLIJQLMKRYLJ-NLRVBDNBSA-N 449.624 5.133 30 10 IKEE CCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1c(F)cccc1Cl 1874249643 INILITZTZGIJEN-ZVHZXABRSA-N 432.952 5.385 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2OC)n1/N=C/c1ccc(C(C)C)cc1 1874288970 VBEIRUDFDZEAAV-AFUMVMLFSA-N 436.581 5.540 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3F)n2/N=C/c2cccc(F)c2)c1 1874375623 FUMZMWNVTIDCNT-RWPZCVJISA-N 448.542 5.938 30 10 IKEE O=[N+]([O-])c1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2)cc1 1874380138 YLBHRNHABJZCMQ-MFKUBSTISA-N 447.495 5.091 30 10 IKEE Fc1cccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2[C@H]2CCCO2)c1 1874450109 UDHAGTHYLVJNAJ-QVGKIPNLSA-N 432.524 5.596 30 10 IKEE COC(=O)c1ccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2C2CCCC2)cc1 1874455645 CIQJOHWEBOFJHE-CVKSISIWSA-N 448.592 5.514 30 10 IKEE CN(C)c1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C(F)(F)F)cc1 1874461640 YFBUXMBKMNBQST-BHGWPJFGSA-N 439.894 5.191 30 10 IKEE CCCCc1nnc(SCc2ccccc2C)n1/N=C/c1c(OC)ccc2ccccc12 1874475268 RITJSKNGZHZWLA-WPWMEQJKSA-N 444.604 6.265 30 10 IKEE CCCCc1nnc(SCC)n1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1874477417 ZGGPWRHEKBBAQF-OVVQPSECSA-N 444.604 6.347 30 10 IKEE CCSc1nnc(C(C)(C)C)n1/N=C/c1ccc(OCc2ccc(C)cc2)c(OC)c1 1874482291 OBCXYYNTMSCMGH-MFKUBSTISA-N 438.597 5.466 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(SCc2cccc(Cl)c2)nnc1C(C)(C)C 1874485601 FHONYWCTHXWDED-AFUMVMLFSA-N 443.016 6.191 30 10 IKEE CCSc1nnc(C(C)C)n1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1874512786 PSQBUZMBGPSHGC-WGOQTCKBSA-N 430.577 6.128 30 10 IKEE Cn1cc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C2CC2)c2ccccc21 1874522626 COARQYCHMQVVQZ-OPEKNORGSA-N 439.947 5.614 30 10 IKEE CCCOC(=O)COc1ccc(Br)cc1/C=C/C(=O)c1ccc(Cl)cc1 1874577627 XVSIEJYHUJZTPL-WEVVVXLNSA-N 437.717 5.331 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2C)cc1C 1874591028 OZEMJEYFLWHYRQ-ACCUITESSA-N 443.543 5.842 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OCC(=O)Nc1cc(C)ccc1C 1874595301 DKIGFNFSZGYWCU-PKNBQFBNSA-N 449.934 5.879 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1OCc1cccc(Cl)c1 1874597574 UXQGEYLXAGIOGY-WYMLVPIESA-N 428.915 6.977 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(C)c(C)c1 1874668666 LJOQTFBVLLYLIB-SANMLTNESA-N 447.623 5.603 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1OC(=O)c1ccccc1Cl 1874704012 SOKCSJMGNRJYMK-PKNBQFBNSA-N 436.891 5.781 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)Oc1cccc(/C=C/C(=O)c2ccc(F)cc2)c1 1874708822 WNOWBDDEHMNCKI-LFYBBSHMSA-N 445.273 6.256 30 10 IKEE CCOc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3cc(C(C)(C)C)ccc3C)c2)cc1 1874715724 IVSGWILHQHHSOO-GZTJUZNOSA-N 442.555 6.807 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(C)c(C)c3)c2)cc1C 1874717907 ONGORLAICWHMMY-VAWYXSNFSA-N 428.528 5.973 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1OC(=O)c1cccc(F)c1 1874718438 ZXJUJFVTIUMTSH-WEVVVXLNSA-N 445.273 6.256 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1Cl 1875087594 BOWJRENWPBDLTC-FMIVXFBMSA-N 435.863 5.683 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(OC)c(OC(=O)[C@@H](C)c3ccccc3)c(OC)c2)c1 1875103066 WEBALBJOHXEIAQ-JKGDOXCYSA-N 446.499 5.318 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)ccc1OC(=O)c1cccc(OC)c1 1875109487 PWRNSTUMHRCTMW-FMIVXFBMSA-N 446.499 5.526 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1 1875117030 FLVDSUTZZKRZOF-CXUHLZMHSA-N 431.444 5.038 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2OC)cc(OC)c1OC(=O)CCCCCC 1875119893 RWZIICPMQAAPMA-WUKNDPDISA-N 436.548 6.204 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3cccc(Cl)c3)cc2)c1 1875123627 WDPCGXXHHJNLCH-NTCAYCPXSA-N 434.919 6.309 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)c1cncc(C)c1 1875131115 ISLKHPYQYAPLHN-SOFGYWHQSA-N 435.907 5.784 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)Cc1ccc(C)c(C)c1 1875133571 AVUKVYJCWHFLNH-JLHYYAGUSA-N 442.555 6.363 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc([N+](=O)[O-])c1OC(=O)c1cccnc1 1875134875 OYKXAMWYOZCUAU-CSKARUKUSA-N 446.459 5.121 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)CC(C)C)c(OC)c2)cc1 1875137702 ZWZBCASVRWNBBG-KPKJPENVSA-N 426.509 5.340 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc3cc(Cl)ccc3n2)cc1)c1ccc(F)cc1 1875157581 FCYXKMZBYIFYLH-LZWSPWQCSA-N 431.850 6.143 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)CC1CCCCC1 1875161803 IPNMSFXBDVRXRB-DHZHZOJOSA-N 444.474 5.754 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)cc(OC)c1OC(C)=O 1875166012 LNXOBBWEWFAKMC-BQYQJAHWSA-N 435.303 5.561 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1cccc(F)c1 1875169868 CGOWCJMMISHWGE-ZRDIBKRKSA-N 446.518 6.573 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2cnc(C)cn2)c(Cl)c1 1875193176 WGIYVBYRJHIQHT-ZZXKWVIFSA-N 443.286 5.216 30 10 IKEE CCN(CC)c1cccc(OCC#CCNC(=O)c2cccc(Oc3ccccc3)c2)c1 1891716826 KQWUILYNDPBYKW-UHFFFAOYSA-N 428.532 5.137 30 10 IKEE CCCCCCCCCC[C@H](CCCN(Cc1ccccc1)C(=O)OC(C)(C)C)NC 1915244487 IRNDOEXHIBLHSQ-RUZDIDTESA-N 432.693 7.323 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CCC1(NC(=O)OC(C)(C)C)CCCCC1)NCCC 1922053590 CXICEADUQZZMRL-XMMPIXPASA-N 444.660 6.135 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@@H](CC(C)(C)C)NC(=O)OC(C)(C)C)NCCC 1922093998 HSOFFVXSKHSUFK-GOTSBHOMSA-N 432.649 5.847 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 1953244007 UANCZTMGHQRUBJ-KBMIEXCESA-N 443.588 5.353 30 10 IKEE C=CCC[C@H](C)SCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1955233565 AFOVANOCJJRWGD-SBUREZEXSA-N 439.577 5.456 30 10 IKEE CCCCCCCCC(=O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997458903 QALQODZMWFFLOD-SANMLTNESA-N 431.617 6.150 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@]1(C#N)CN(Cc2ccccc2)C2(CCCC2)C1 2038666706 SLMNDWWLKVWSRI-HHHXNRCGSA-N 431.580 5.909 30 10 IKEE CCCCCCC[C@@H](NCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2041898471 ZSVRFYCFYGJHKG-SHQCIBLASA-N 446.676 6.169 30 10 IKEE C=CCC1(C(=O)c2c(Cl)ccc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2058347882 ZRQHBNICRBRYSK-UHFFFAOYSA-N 432.717 5.238 30 10 IKEE CCCc1ccc([C@@H](n2nc(C(F)(F)F)c(C=NO)c2Br)C2(C)CC2)cc1 2079924952 GCDUQTUNTLCFPV-MRXNPFEDSA-N 444.295 5.815 30 10 IKEE COc1ccc([C@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C2(C)CC2)c(F)c1 2080064689 WMPMIUHLOUNVFZ-KRWDZBQOSA-N 436.325 5.042 30 10 IKEE Nc1c2c(nc3c(-c4ccc(F)cc4C(F)(F)F)c(C(F)(F)F)nn13)CCCCC2 2081269980 HTNSIGHWJIXVKB-UHFFFAOYSA-N 432.343 5.424 30 10 IKEE Cc1nc(SCC(=O)[C@H](C#N)c2nc3c(s2)CCc2ccccc2-3)c(C#N)c(C)c1C 2084272970 MNAQQRRUQJVJKT-IBGZPJMESA-N 444.585 5.069 30 10 IKEE C=CCC1([C@H](Cc2cccc(Br)c2Cl)NC)CN(C(=O)OC(C)(C)C)C1 2110501119 PNBNZUJXKYNWFP-INIZCTEOSA-N 443.813 5.046 30 10 IKEE C=CCN(C[C@H](NCCC)c1c(Cl)ccc(Br)c1F)C(=O)OC(C)(C)C 2122143046 NFNADWADZNLGRI-HNNXBMFYSA-N 449.792 5.705 30 10 IKEE C=C[C@H](C1CC1)N(C)[C@H](CN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2139827413 HOCCPCFRORNNCG-KAYWLYCHSA-N 442.603 5.741 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCCC)c2cc(Br)ccc2F)C1 2183006584 OQJDGTOMAKDKQM-SFHVURJKSA-N 441.385 5.490 30 10 IKEE COc1cccc(C)c1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2183190290 BJJGPKQWEIPRSP-KRWDZBQOSA-N 431.330 5.773 30 10 IKEE C[C@@H](c1cscc1Br)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2186593741 CXLFVGULUNFJLG-AWEZNQCLSA-N 436.224 5.003 30 10 IKEE N#Cc1cc(F)c(Nc2c(Cl)cc(Cl)cc2Br)cc1Br 2203120250 VCVNVMDSAJZCIK-UHFFFAOYSA-N 438.909 6.273 30 10 IKEE C=CCCCCCCC[C@@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NC 2214613651 POMOPXQBLYQWBQ-BJKOFHAPSA-N 432.649 5.991 30 10 IKEE C=CCCCCCCC[C@H](N)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2214620708 ZKZQRYUCXBIARK-OZXSUGGESA-N 429.649 5.400 30 10 IKEE CCCN[C@H](C#Cc1ccc(Cl)cc1)CCCCCNC(=O)OCc1ccccc1 2239567872 HQWBSBQGOREJTG-DEOSSOPVSA-N 426.988 5.547 30 10 IKEE C#C[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C 2243924663 JWWXWHBQDBMGGF-RPBOFIJWSA-N 446.591 5.104 30 10 IKEE N[C@@H](C#Cc1ccccc1F)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2266602807 IVNRMAWJPZGAKX-MHZLTWQESA-N 437.514 6.035 30 10 IKEE C=CCC1(COc2c(N)cccc2Br)CCN(C(=O)OC(C)(C)C)CC1 2272148826 IVAOAIXZADZDTC-UHFFFAOYSA-N 425.367 5.004 30 10 IKEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Br)cc(C(C)(C)C)c1 2288658178 YUPNWLLXJZEEIX-RTBURBONSA-N 437.422 5.314 30 10 IKEE C[C@@H](c1ccc(NC(=O)OC(C)(C)C)cc1)[C@@H](O)C#Cc1cccc(Br)c1 2296219973 TWSWDWPJRRGYRJ-YWZLYKJASA-N 430.342 5.312 30 10 IKEE CC(C)(C)OC(=O)N[C@@](C)(C1CCCCC1)[C@@H](O)C#Cc1ccc(Br)cc1 2296271715 FZKZOXOBARSEHD-UGKGYDQZSA-N 436.390 5.025 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@@](C)(NC(=O)OC(C)(C)C)C(C)C 2296292528 ZFRXEEJYUNHZSV-UGKGYDQZSA-N 437.422 5.108 30 10 IKEE Cc1ccc(NC(=S)NN=Cc2cn(-c3ccccc3)nc2-c2cccs2)cc1C 2296404898 BBYJSLMWIIBKCV-UHFFFAOYSA-N 431.590 5.538 30 10 IKEE Cc1cccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2ccc(Cl)cc2)c1 2296925501 JJOJGHBTMVKRMC-XMMPIXPASA-N 429.903 5.831 30 10 IKEE COc1cc(C=C2C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cc2c1OCO2 2297736765 FBJLPYMCBZFUML-PYMIQOSHSA-N 436.592 6.419 30 10 IKEE CN(C)c1ccc(C=C2SC(=Nc3ccncc3Cl)N(C3CCCCC3)C2=O)cc1 2314542603 MVBPHCFXQKKTRI-UHFFFAOYSA-N 441.000 5.738 30 10 IKEE CCCN[C@H](C#CCSC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2314681842 GLBBGCTWWDWDCJ-QGZVFWFLSA-N 427.408 5.203 30 10 IKEE N#Cc1cccc(CSc2cc(I)ccc2Br)c1 2316473660 YNMHHHNRTPAMOA-UHFFFAOYSA-N 430.108 5.218 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1cccc(OC)c1 2318571474 LJMVQMWTDDCYIC-UHFFFAOYSA-N 432.952 5.596 30 10 IKEE Sc1nnc(CCCOc2ccccc2)n1N=Cc1cccc(OCc2ccccc2)c1 2322060282 DSMSFENAJBPTKI-UHFFFAOYSA-N 444.560 5.040 30 10 IKEE CCCCOc1ccccc1C=Nn1c(S)nnc1CCCOc1ccc(CC)cc1 2322217909 VQDLAHPXTPCSDK-UHFFFAOYSA-N 438.597 5.202 30 10 IKEE Cc1ccc(CN2COc3c(cc4c(c3C)OC(=Cc3ccc(N(C)C)cc3)C4=O)C2)cc1 2322307784 KRHLQISEVGHCPM-UHFFFAOYSA-N 440.543 5.338 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1cccc2ccccc12)c1ccc2ccccc2c1 2322326375 DFZBBYHKISSKEW-UHFFFAOYSA-N 448.949 8.122 30 10 IKEE O=C(C=Cc1c(OCc2cccc(Cl)c2)ccc2ccccc12)c1ccccc1Cl 2322436573 UAEPNIZCYOYMOZ-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE O=C(C=Cc1c(OCc2ccccc2Cl)ccc2ccccc12)c1ccc(Cl)cc1 2322528457 IFMOMYYNJSHFND-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccccc2OCC(=O)N[C@@H](C)c2ccccc2)cc1 2322549381 NUAMKZWSTPCWRY-FQEVSTJZSA-N 429.516 5.238 30 10 IKEE O=C(C=Cc1c(OCc2ccccc2F)ccc2ccccc12)c1ccc2c(c1)OCCO2 2322668150 SKNNYQFMDVKIKB-UHFFFAOYSA-N 440.470 6.225 30 10 IKEE COc1ccccc1C=C1Oc2cc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc(C)c2C1=O 2323279719 YXGSRJRIOVWKHN-UHFFFAOYSA-N 445.427 5.056 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc4c(c3)CCCC4)cc2)cc1 2323419729 RKOHAJURRNMFIX-UHFFFAOYSA-N 425.528 5.787 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3C)c(Cl)c2)c1 2323486988 WNIAQPIDDYIMEN-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)C=Cc4ccc(-c5ccccc5)cc4)ccc3C2=O)o1 2323647470 NOECFAVLFHEHHF-UHFFFAOYSA-N 448.474 6.490 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2OC)ccc1OCC(=O)Nc1c(C)cccc1C 2323719229 ZHOLEYXWMRXQDS-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc3ccccc23)cc(OC)c1OCC(=O)OCCC 2324145479 KFJRXGIFTBJKLI-UHFFFAOYSA-N 444.527 5.805 30 10 IKEE CC(C)c1ccc(C=C2Oc3c(ccc(O)c3CN3CCOc4ccccc43)C2=O)cc1 2324154313 JHRYECOFBCRVOE-UHFFFAOYSA-N 427.500 5.531 30 10 IKEE Cc1cccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4c(C)cc(C)cc4C)ccc3C2=O)c1 2324331674 HFORJPZPLQUKQN-HXUWFJFHSA-N 441.527 5.942 30 10 IKEE Cc1cc(C)c(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2)C3=O)c(C)c1 2324331851 PJDZGMWNYCKMRJ-FQEVSTJZSA-N 441.527 5.942 30 10 IKEE N#C[C@@H](C(=O)C(=Cc1ccccc1)c1ccccc1)c1nc(-c2ccccc2Cl)cs1 2324425955 LUBPTFRWJNZKFG-QFIPXVFZSA-N 440.955 6.881 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)C=Cc2cccc([N+](=O)[O-])c2)n1 2324794868 ZJSNXYJIFQGYDP-NRFANRHFSA-N 445.544 6.214 30 10 IKEE N#C[C@@H](C(=O)C=Cc1ccc2c(c1)OCCO2)c1nc(-c2ccc(Cl)s2)cs1 2324817305 NHLUQQRQXWWODF-ZDUSSCGKSA-N 428.922 5.186 30 10 IKEE C[C@H](Oc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O)C(=O)Nc1ccc(C#N)cc1 2325301791 UHGPQQZJABOJFA-HNNXBMFYSA-N 444.874 5.234 30 10 IKEE N#Cc1ccccc1COc1ccc2c(c1)OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O 2325351595 LWTFSMISARJJLW-UHFFFAOYSA-N 445.858 5.273 30 10 IKEE N#Cc1ccccc1COc1ccc2c(c1)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2325351645 UMRVCKWYIZJCLP-UHFFFAOYSA-N 429.475 6.420 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1sccc1C 2325532661 FRDJNSNOOPMPSP-UHFFFAOYSA-N 439.437 6.472 30 10 IKEE CCc1cccc(CC)c1NC(=O)COc1ccc2c(c1)OC(=Cc1cccc(C)c1)C2=O 2325718593 FXOWWLGTOVMDKG-UHFFFAOYSA-N 441.527 5.754 30 10 IKEE CCCCc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccccc2)C3=O)cc1 2325719510 LVYLCIMZOIQHDF-UHFFFAOYSA-N 427.500 5.663 30 10 IKEE CSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1ccc(Cl)cc1 2325882651 KCCXPFCKHHUYNN-UHFFFAOYSA-N 436.968 5.700 30 10 IKEE C=C(C)CSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1cccc(O)c1 2326389297 REYLEXFXYZRFMF-UHFFFAOYSA-N 436.581 5.163 30 10 IKEE CCCc1ccc(OCc2nnc(SCc3cccc(C)c3)n2N=Cc2ccc[nH]2)cc1 2327345680 NSTLNFOTNJKOBK-UHFFFAOYSA-N 445.592 5.621 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1cccc(OCC)c1 2327593148 GNTUUWQISUAZKP-UHFFFAOYSA-N 428.945 5.070 30 10 IKEE CCSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1cccc(Br)c1 2328943265 QXPFXXKTYHDERU-UHFFFAOYSA-N 443.414 5.437 30 10 IKEE CCCC[C@H](NC(=O)C=C(c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1ccc(C#N)cc1 2329603090 UNYSTMUOBBGHHO-VWLOTQADSA-N 429.564 5.282 30 10 IKEE Fc1ccccc1CSc1nnc(Cc2ccccc2)n1N=Cc1cccc(Cl)c1 2330492161 XNHWIXOTYNDRCY-UHFFFAOYSA-N 436.943 5.836 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)C(C)(C)C 2330609761 JWLLHFVETOWSTI-UHFFFAOYSA-N 428.528 6.600 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2-c2ccccc2)cc1 2330640039 PKUSYEYFMJJQKG-UHFFFAOYSA-N 430.552 6.382 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1OC(=O)CC(C)C 2330800569 FOOPENPFMCSFMG-UHFFFAOYSA-N 441.738 6.503 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2ccc(C)cc2)nnc1[C@@H]1CCCO1 2330889243 HBGWXGASPQWYKB-QFIPXVFZSA-N 434.565 5.177 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2cccc(Br)c2)cc1OCC 2331007065 JHTKSUVGEZDCMZ-UHFFFAOYSA-N 431.326 5.840 30 10 IKEE Fc1ccccc1C=Nn1c(SCc2c(F)cccc2Cl)nnc1C(F)(F)F 2331163159 CRKAPFXJVSHCGA-UHFFFAOYSA-N 432.805 5.403 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(OC)cc3)c(Cl)c2)cc1 2331195047 MHXJJWAFEYGSFK-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccc(CC)cc2)n1N=Cc1ccccc1C 2331325163 QZZXMCHPEPGBBR-UHFFFAOYSA-N 435.597 5.105 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2cccc(Cl)c2)cc1 2331381217 XWXWRVJGBGCULP-UHFFFAOYSA-N 441.988 5.150 30 10 IKEE CC(C)Cc1nnc(SCCc2ccccc2)n1N=Cc1ccc(Cl)c(Cl)c1 2331459199 YCGJBARVKBTESH-UHFFFAOYSA-N 433.408 6.000 30 10 IKEE Cc1ccsc1C=Nn1c(CC(C)C)nnc1SCc1c(Cl)cccc1Cl 2331461853 OQLRAFPMCRFMKE-UHFFFAOYSA-N 439.437 6.328 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)c1cccnc1 2331488577 GPGCETOTIVFDLP-UHFFFAOYSA-N 435.907 5.982 30 10 IKEE CCCc1nnc(SCc2ccccc2C)n1N=Cc1cc(Br)ccc1F 2331632458 UMHYOCWRPZTAGY-UHFFFAOYSA-N 447.377 5.615 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)CC(C)(C)C)c(OC)c2)c1 2331685379 DZWYRDCVWKYMGX-UHFFFAOYSA-N 440.536 5.730 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)CCOc1ccccc1 2331709586 NJONXZHITIMAEV-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)CC(C)C 2331770349 KXGKYYPRZXWIFJ-UHFFFAOYSA-N 428.956 6.512 30 10 IKEE C[C@@H](CCCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)CNC(=O)OC(C)(C)C 2339600162 LHHOREMCWFBRDR-JKGDOXCYSA-N 446.397 5.046 30 10 IKEE CCN[C@H](C#Cc1nccs1)c1cc(Cl)c(NC(=O)OC(C)(C)C)c(Cl)c1 2363540599 ZMWNYZNLVOKIPD-OAHLLOKOSA-N 426.369 5.499 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H](Nc2cc(Br)ccc2C#N)[C@@H]1C(F)(F)F 2370056228 DECDYMRZDLXFQI-DZGCQCFKSA-N 448.283 5.063 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(-c3ccccc3)c1[C@H]2c1ccc(Br)cc1 9597504 LMXNIIPRPXQZDN-IBGZPJMESA-N 448.364 6.040 30 10 IKEE C=C(C)CN1C(=O)[C@@H](C)Oc2ccc(NC(=O)NC(C)(C)c3cccc(C(=C)C)c3)cc21 12236801 JGCIDUGENTYAJT-GOSISDBHSA-N 433.552 5.467 30 10 IKEE Cc1cc(C)cc(NS(=O)(=O)c2ccc(/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2)c1 12484337 XPNCAIZXFURYAN-YDZHTSKRSA-N 443.912 5.416 30 10 IKEE CC[C@H]1CS/C(=N\c2ccccc2C(F)(F)F)N1Cc1ccc(Cl)cc1Cl 13145729 ODDXNUYEEPETJJ-JHOJOOQCSA-N 433.326 7.027 30 10 IKEE COc1cccc(CSc2nnc(N/N=C/c3ccccc3OCc3ccccc3)[nH]2)c1 21080744 CYQZCGWKEONUPR-MFKUBSTISA-N 445.548 5.131 30 10 IKEE COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccn2)cc1OC 21227126 SPZZTHZIDBHMTH-QUGAMOGWSA-N 427.504 5.078 30 10 IKEE CCC(C)(C)[C@@H]1CCc2sc3ncnc(N/N=C\c4ccc(OC)c(OC)c4)c3c2C1 33097090 XTGBMTDYYFWIIP-TWILBZOKSA-N 438.597 5.696 30 10 IKEE CC(C)N(C[C@H](O)COc1cccc2ccccc12)C(F)(F)C(F)(F)C(F)(F)F 33903591 NZWSNQWXTVXQOM-AWEZNQCLSA-N 427.360 5.080 30 10 IKEE Cc1ccc(NC(=O)[C@@]23CC[C@@](C)(/C(=N/OC(=O)c4cccc([N+](=O)[O-])c4)C2)C3(C)C)cc1 33960654 LNTYKLRWEARPPF-STCJDUAWSA-N 449.507 5.271 30 10 IKEE N#Cc1nc(COc2ccccc2Cl)oc1N(Cc1ccccc1)Cc1ccccc1 35342854 HMHXRNDEDKZGOH-UHFFFAOYSA-N 429.907 5.985 30 10 IKEE Cc1cc2c(n1-c1ccc(Cl)cc1)CC(C)(C)C/C2=N\OC(=O)COc1ccccc1 39853225 WFDXMZOFWYKKQY-HPNDGRJYSA-N 436.939 5.738 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OCc4cccc(OC)c4)cc(C)c3C2=O)c2ccccc21 41504175 YDOIHWALNBPJOP-WGARJPEWSA-N 439.511 6.173 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(C(C)(C)C)cc1)C3=O)CN(C[C@H]1CCCO1)CO2 41588148 VGRUKLMBWOXHOD-IVZMSFFOSA-N 433.548 5.240 30 10 IKEE Cc1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2ccc(C(C)(C)C)cc2)C4=O)cc1 41659099 WVPXWZUQPBMTHT-YSMPRRRNSA-N 439.555 6.261 30 10 IKEE Cc1ccccc1/C=C1\S/C(=N/N=C\c2cccc([N+](=O)[O-])c2)N(Cc2ccco2)C1=O 47138997 BONOSBDPPXMOPW-TZOGYSKPSA-N 446.488 5.003 30 10 IKEE CCN1C(=O)C[C@@H](C(=O)Nc2cccc(C)c2)S/C1=N\c1ccc(Cl)c(Cl)c1 100194571 PAMXLKVQPYBZCR-DJUDNFEDSA-N 436.364 5.282 30 10 IKEE CCCCCCCCCCCCCCCCCCOc1ccc(-c2ccc(O)cc2)cc1 100309463 CNWVQFXDSFASPQ-UHFFFAOYSA-N 438.696 9.700 30 10 IKEE CCCCCCCCCCCCCC(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 100442426 NODJALZZTZRDEN-UHFFFAOYSA-N 428.661 7.342 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1ccc(NC(=O)C(C)C)cc1 100444088 BZBFSAIFSJIAOA-UHFFFAOYSA-N 447.689 6.795 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)S/C1=N/c1cccc(C(=O)O)c1 101132301 POFWBGSMTNXCGS-DBPHPPTCSA-N 438.892 5.532 30 10 IKEE CCCCCCCCCCCCN1C(=O)C2(OCCO2)c2c(Cl)ccc(Cl)c21 101327778 BFARMCBVOMCUAW-UHFFFAOYSA-N 428.400 6.461 30 10 IKEE CCCCCCCCCCCCCC(=O)NCc1ccc(-c2ccccc2)c2ccncc12 103000854 QSVIOXVEEQGFTL-UHFFFAOYSA-N 444.663 8.219 30 10 IKEE O=C1/C(=C\c2ccccc2Br)Oc2cc(OCc3ccc(F)cc3)ccc21 103019040 QSEUVMXYPAVLDG-SRZZPIQSSA-N 425.253 5.783 30 10 IKEE CC(C)n1ncc2c(C(=O)N[C@H](C#N)c3ccc(F)cc3F)cc(-c3cccs3)nc21 111030158 OVFLJLOGVRMMQM-LJQANCHMSA-N 437.475 5.014 30 10 IKEE CCOc1cc(/C=N\S(=O)(=O)c2cccs2)ccc1OCc1ccccc1Cl 169907983 DNMWVTNCQQFANG-XKZIYDEJSA-N 435.954 5.187 30 10 IKEE CN1C(=S)N[C@H](c2ccc(OCc3c(Cl)cccc3Cl)cc2)C2=C1CCCC2=O 169936815 RMPXIVQFFQZWEF-OAQYLSRUSA-N 447.387 5.441 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccccc1 170048339 GSKMDGGPVRMFRH-XMMPIXPASA-N 427.500 5.091 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccc(F)cc2)cc1 170063672 KJQDWSGQSIFTEI-VWLOTQADSA-N 448.453 5.633 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2sccc2C)cc1 170105127 OLZQZMLGYUJXBM-OAQYLSRUSA-N 449.528 5.247 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)cc1 170159649 DCGWKLIRTMSWEJ-JOCHJYFZSA-N 433.529 5.628 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccn2)cc1C(C)C 170179226 HETJZHNSRWSPHK-DEOSSOPVSA-N 448.563 5.433 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccccc2)cc1 170224965 XXKMPKUSSNUCJM-RUZDIDTESA-N 435.479 5.631 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(F)cc2)c1 170239596 RXTDNICXQOSKDD-NRFANRHFSA-N 437.854 5.271 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(F)cc1 170240257 XWLDRVYIDLWKMV-DEOSSOPVSA-N 445.490 5.704 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@@H]1c1ccc(C(C)C)cc1 170245443 OEFRIPYBDQYMDW-DEOSSOPVSA-N 435.564 5.833 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2C)[C@H]1c1ccco1 170284149 HOUYWZFZZKORNX-FQEVSTJZSA-N 441.842 5.172 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccco2)cc1 170285307 SSYZCTSVCPSGHM-XMMPIXPASA-N 439.467 5.614 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(C)o2)cc1Cl 170298036 UMIPUGHLVMAGBA-IBGZPJMESA-N 443.908 5.090 30 10 IKEE CCCOc1ccc2ccccc2c1/C=C1\SC(=Nc2ccc(C)cc2)N(CC)C1=O 252620134 LXYQEMYXQSEUKH-SIFMURAYSA-N 430.573 6.561 30 10 IKEE CCCCN1C(=O)/C(=C2\Sc3ccccc3N2CC)SC1=Nc1ccc(C)cc1O 254820864 ICCMDCIAIFKJMN-QLMUGPIMSA-N 439.606 5.865 30 10 IKEE CCCCCCCCCCCCSCC[C@H](NC(=O)OCc1ccccc1)C(=O)O 312137111 JDSAJUFKIVZLID-QFIPXVFZSA-N 437.646 6.410 30 10 IKEE c1ccc(C[C@@H]2CS/C(=N/CCCN(Cc3ccccc3)Cc3ccccc3)N2)cc1 390732527 YKGDDZKLANTVRT-AREMUKBSSA-N 429.633 5.383 30 10 IKEE SC[C@H]1CN(Cc2ccccc2)C[C@H]1c1cc(Br)ccc1Br 394521622 QEFHXNRFGFVFMA-RHSMWYFYSA-N 441.232 5.357 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(F)cc1Br)NCCC 407003117 WCZQOBAGSIEDTD-RTBURBONSA-N 443.401 5.358 30 10 IKEE CCN[C@@H](C#Cc1ccccc1)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 407678131 NEKJKPPRQDQPNZ-IBGZPJMESA-N 429.358 5.498 30 10 IKEE FC(F)(F)Sc1ccc(C(F)(F)F)c(C(F)(F)F)c1I 514260118 MIRYENLYXQXGFG-UHFFFAOYSA-N 440.068 5.941 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(OC)c(Cl)c2)c1 526514057 BAHUJICHGABBGK-HSZRJFAPSA-N 446.890 5.286 30 10 IKEE CC(C)Oc1ccc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526606196 IPTCXWZVQWRNJM-XMMPIXPASA-N 444.918 6.056 30 10 IKEE Cc1ccc(SC2=C(Nc3ccccc3C#N)C(=O)N(c3cc(C)cc(C)c3)C2=O)cc1 526660077 KBNUFDOQJCUQSV-UHFFFAOYSA-N 439.540 5.473 30 10 IKEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1cccc(Cl)c1 526829315 BVKWYIGJMZYJJT-XKZIYDEJSA-N 429.933 5.357 30 10 IKEE C=CCN(CC=C)C(=O)Nc1cccc(C(=O)Nc2nc(-c3ccc(CC)cc3)cs2)c1 586683852 HCDDHSYBPOEMBQ-UHFFFAOYSA-N 446.576 5.831 30 10 IKEE CCCCCCCCC[C@@H](O)c1ccc(Br)cc1NC(=O)OC(C)(C)C 696381341 QULROELOVJLAOH-LJQANCHMSA-N 428.411 6.970 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@H](C)C1 698424104 JDWJQUSBJFKHEC-KOSHJBKYSA-N 429.561 5.418 30 10 IKEE COc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)cc1O 698448456 XEWJHMWXEKZGDP-INIZCTEOSA-N 433.302 5.170 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccc(Br)c(F)c1 698486789 RAOIALHKRGOFMC-KRWDZBQOSA-N 435.293 5.603 30 10 IKEE CC(C)[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 698908130 GYMDTYQJZCSPEP-QZTJIDSGSA-N 437.606 5.174 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698912877 WMMCQVVPCCNRAS-KOSHJBKYSA-N 435.609 5.486 30 10 IKEE CCCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccc(Br)c(Br)c1 698961588 COZZCUVOWAGDCH-AWEZNQCLSA-N 432.156 5.423 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCN(C(=O)OCc3ccccc3)C2)c1 720805688 MBKMIQNBUQTTKT-SANMLTNESA-N 449.551 5.432 30 10 IKEE COc1ccc(/C=C2/SC(=NN=Cc3ccccc3)N(N=Cc3ccccc3)C2=O)cc1 1084121201 NSYKGOPTNMOUEH-FWHGKQOZSA-N 440.528 5.036 30 10 IKEE CCCCCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(C)C(=Nc3ccccc3)S2)cc1 1084322844 PFQBCXJTENJASF-NRFANRHFSA-N 439.581 5.236 30 10 IKEE CN(C)c1ccc(C=Nc2ccc3nc(SCC(C)(C)C)sc3c2)cc1[N+](=O)[O-] 1084607019 WHFPBBNWCZSSJQ-UHFFFAOYSA-N 428.583 6.159 30 10 IKEE CC(=O)c1cccc(N/C(=N/C2CCC(CC3CCC(N)CC3)CC2)N2CCCCC2)c1 1088735221 CQTSWIWAQDWMCQ-UHFFFAOYSA-N 438.660 5.609 30 10 IKEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC=C(C(C)(C)C)CC1 1301149679 DHCVEOFFLNOBJK-UHFFFAOYSA-N 446.599 5.379 30 10 IKEE Cc1c(O)nc2ccccc2c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 1464748088 BQQLIMFMCRCXLA-UHFFFAOYSA-N 427.435 5.091 30 10 IKEE O=C1NC(=NN=Cc2cccc3ccccc23)S[C@@H]1Cc1ccc(Cl)c(Cl)c1 1772724783 OJLQIZIMYDCGFG-LJQANCHMSA-N 428.344 5.311 30 10 IKEE CN1C(=O)/C(=C\c2ccccc2OCc2ccccc2Cl)SC1=Nc1cccnc1 1772731587 OCMIFFRBHSMYSY-FKSIKXIZSA-N 435.936 5.548 30 10 IKEE Cc1ccc(COc2cccc(/C=C3/SC(=Nc4cccc(C)n4)N(C)C3=O)c2)cc1 1772732512 XRMBZOPTZRESJY-KHDUAGGOSA-N 429.545 5.511 30 10 IKEE Cc1csc(N=C2S/C(=C/C(Cl)=C/c3ccccc3)C(=O)N2c2ccccc2)n1 1772740485 YNGIRZZDUYZHRU-KZGAIZSTSA-N 437.977 6.383 30 10 IKEE CN(C(=O)c1cccc(C#N)c1)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cn1 1858258129 JUKVJUOLRHTSRF-UHFFFAOYSA-N 446.510 5.000 30 10 IKEE N#Cc1cccc(C(=O)Oc2cccc3c(NC(=O)c4ccccc4Cl)cccc23)c1 1858920508 XPEPZXYAHNCMPI-UHFFFAOYSA-N 426.859 5.836 30 10 IKEE C=CCN(C(=O)/C=C/c1ccc(OCc2ccccc2)cc1)C1CCC(C(=O)OCC)CC1 1860021904 JGTNRQMLCXLMGH-XDHOZWIPSA-N 447.575 5.415 30 10 IKEE CCCCC1CCC(C(=O)Nc2ccc(Cl)c(NC(=O)c3cccc(C#N)c3)c2)CC1 1860454515 VLTAZZZTQBGLPO-UHFFFAOYSA-N 437.971 6.399 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)[C@H](C)Oc1ccc(Cl)cc1 1861670085 LGZWKSGGPFOTKP-UGKGYDQZSA-N 439.040 5.649 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(Br)cc1 1862438724 PMTNISAPAUSIKQ-KRWDZBQOSA-N 434.717 5.089 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc(Br)c1 1862439554 MASRSLRVYULEMK-KRWDZBQOSA-N 434.717 5.089 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1cccc(F)c1)c1cccc(Cl)c1 1862444681 DQFNALODLSKJSG-QFIPXVFZSA-N 435.882 5.300 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 1862495505 ZQNNJMRPXRZVTI-XMMPIXPASA-N 431.576 6.122 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc3cc[nH]c3c2)ccc1F 1862504002 KNYQQFPNVWJLEG-HRCLSFSHSA-N 446.522 5.772 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2ccccc2F)cc1 1862529816 KGFGQLLKDHNIJJ-JOCHJYFZSA-N 435.520 5.271 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 1862536315 WBBYEVXOEVKXQM-QHCPKHFHSA-N 431.919 5.681 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2c(Cl)cccc2Cl)cc1 1862538466 HOOWYJSPVYFCNQ-XCLFUZPHSA-N 432.347 5.933 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C(C)C)cc1 1862553283 JKLYSTWPCQOFAG-VWLOTQADSA-N 446.591 5.398 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CC(C)C)cc1 1862567297 OXMCSHOZGNSRQM-QHCPKHFHSA-N 436.552 5.072 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862583360 ZGLWOYFWZMFAIC-XCLFUZPHSA-N 448.346 5.769 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccc(Cl)cc2)cc1 1862589992 YIYZKBQGTALCLB-JOCHJYFZSA-N 433.891 5.133 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862620025 IZWVUURAQXFCOX-QHCPKHFHSA-N 431.576 6.046 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(Cl)cc1Cl 1862657543 GBQARMSUQVLEGY-HXUWFJFHSA-N 426.299 5.745 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(C(C)C)cc2)=C(O)C(=O)N1C1CCCCCCC1 1862661048 BXFLRICTHWZJTD-AREMUKBSSA-N 445.603 6.810 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(O)cc2)cc1 1862662694 KIDOQIDBQUYTAD-JOCHJYFZSA-N 433.529 5.356 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc(F)cc2)cc1 1862663139 PTWMJWCYQKQNDE-CUHUQNRHSA-N 435.539 6.106 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccc(OC)cc2)cc1 1862672887 HMTLEASBRNWNPQ-XMMPIXPASA-N 445.490 5.175 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2cccc(OC)c2)cc1 1862688076 RRDKLQAOBBWUSO-OSPHWJPCSA-N 443.499 5.043 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862746249 BKIGANASNIGIDW-QFIPXVFZSA-N 434.492 5.204 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(Cl)cc3)C2=O)c1 1863024338 IMXDLSPEMDQBQL-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE N#Cc1nnn(-c2ccc(Nc3ccccc3)cc2)c1NC(=O)/C=C/c1cccc(Cl)c1 1870143641 UTCVOYWZRDMMHW-NTEUORMPSA-N 440.894 5.188 30 10 IKEE C=CCOc1cn(CCCN(CC)CC)c(CNc2ccc(CCCC)cc2)cc1=O 1870811198 NOTKKMOVOQKUHC-UHFFFAOYSA-N 425.617 5.100 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(O)cc2)c(CNc2cc(C)cc(C)c2)cc1=O 1870839318 HVEVVICAJXSWFC-UHFFFAOYSA-N 448.607 6.180 30 10 IKEE CCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CNc1ccc(C)c(F)c1 1871258710 XQIICWVHKOGODO-UHFFFAOYSA-N 430.608 6.693 30 10 IKEE CCCCCCN1COc2c(cc3c(c2C)O/C(=C\c2ccc(OC)c(OC)c2)C3=O)C1 1871353313 LFYDVJBKFBFZJP-QRVIBDJDSA-N 437.536 5.361 30 10 IKEE CCc1ccc([C@@H](C)N2COc3c(cc4c(c3C)O/C(=C\c3ccccc3C)C4=O)C2)cc1 1871360233 XWQPOXLJCGOWEF-RWTUPJDWSA-N 439.555 6.395 30 10 IKEE Cc1cc(O)c(CN2C[C@@H](C)C[C@@H](C)C2)c2c1C(=O)/C(=C/c1ccc(Cl)cc1Cl)O2 1871396571 MRQWJPIUQKHHFZ-IBYOTXECSA-N 446.374 6.102 30 10 IKEE O=C1/C(=C/c2ccc(Br)cc2)Oc2cc(OCCCc3ccccc3)ccc21 1871399040 ASMPWVWEIQGXCV-HAHDFKILSA-N 435.317 6.077 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccc(C)c(Cl)c4)ccc3C2=O)c1 1871402550 WHSVIXHJYOSACR-VJUVOTIISA-N 447.918 5.979 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc(OCCOc4ccc(C)cc4)c3C)C2=O)cc1 1871407038 VNZKDQPKETZUBY-UQQQWYQISA-N 430.500 5.776 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871408532 XNTUHAQIBYEQSB-SNNLMFDCSA-N 429.472 5.026 30 10 IKEE COC(=O)c1cccc(COc2ccc3c(c2)O/C(=C\c2c(F)cccc2Cl)C3=O)c1 1871416109 MGRQRAXQJFIUAG-UUYOSTAYSA-N 438.838 5.461 30 10 IKEE CCCCCCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccccc1Cl)C2=O 1871421459 FSGUQOCYWARTMM-BKUYFWCQSA-N 428.912 5.767 30 10 IKEE Cc1cccc(C(C)C)c1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O 1871422606 UIUBUXBFNHCXCI-OYKKKHCWSA-N 427.500 5.752 30 10 IKEE CC(C)=C1Oc2cc(OCC(=O)Nc3ccc(Nc4ccccc4)cc3)cc(C)c2C1=O 1871431292 NDVSWOUIXAOVMR-UHFFFAOYSA-N 428.488 5.625 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)NCc4ccccc4Cl)ccc3C2=O)cc1 1871448266 NDFSNUYGHMBENB-CFRMEGHHSA-N 447.918 5.214 30 10 IKEE C=CCN(CC=C)c1nc(=NCc2ccc(Cl)cc2)nc(Nc2ccc(C(C)C)cc2)[nH]1 1871506928 KZGGYFOQZQKNEV-UHFFFAOYSA-N 449.002 5.604 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)CCCC 1871783538 GCDXSCYSXQDLFE-IBGZPJMESA-N 449.444 5.355 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1cccs1 1871800347 WOQRDMYXPUYGDU-SFHVURJKSA-N 441.018 5.084 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 1871801901 OULRPKWPDKLWNY-OAQYLSRUSA-N 434.989 5.023 30 10 IKEE CCCc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)cc1 1872778741 SHRWFTJOGQLFBD-NRFANRHFSA-N 434.561 5.643 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@H](C#N)C(=O)c2cc3ccccc3oc2=O)n1 1872789007 WJBGCMMEZRACIN-MRXNPFEDSA-N 436.876 5.069 30 10 IKEE N#C[C@H](C(=O)CCCOc1ccccc1Cl)c1nc(-c2ccc(Cl)s2)cs1 1872789472 KARBPYWCTFFUGV-GFCCVEGCSA-N 437.373 6.214 30 10 IKEE C=CCc1ccccc1OCc1cccc(C(=O)Nc2cccc(C(=O)OC(C)C)c2)c1 1872834217 QLEXFCZQWVGVNM-UHFFFAOYSA-N 429.516 5.812 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc(COc2cc(Cl)ccc2Cl)cc1 1872853657 CANYRVWFAWIMOI-UHFFFAOYSA-N 436.423 7.443 30 10 IKEE CCCCCCCCCCNC1=C(c2cccc(OC)c2)C(=O)N(Cc2ccccn2)C1=O 1873044101 YZUNLHKYJOPODO-UHFFFAOYSA-N 449.595 5.101 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2C)C(=O)N(Cc2ccccc2Cl)C1=O 1873104364 WLQLBBYEKNWJCU-UHFFFAOYSA-N 438.999 5.879 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(OCCCCCC)cc1)n2C 1873655904 CBODHSOBBNZMSS-UHFFFAOYSA-N 447.583 5.358 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)c(Cl)c2)cc2c(N3CCC[C@H](C)C3)ncnc21 1873657667 LBQNSKVHFWUPBG-AWEZNQCLSA-N 444.366 5.413 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(OC)cc2)n1/N=C/c1sccc1C 1874219889 JTJDMEPMYJYBSZ-OEAKJJBVSA-N 442.610 5.219 30 10 IKEE CCCSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1ccccc1Cl 1874224092 RWKXTXNNXNNABM-KOEQRZSOSA-N 443.016 5.890 30 10 IKEE CCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1cc(Cl)ccc1O 1874244664 KVEXINOBHSGERC-AFUMVMLFSA-N 445.032 5.780 30 10 IKEE C=CCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1cccc(Cl)c1 1874247222 SMGGSJBXJXIWHT-LFVJCYFKSA-N 426.973 5.412 30 10 IKEE Cc1ccccc1CSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccccn1 1874262714 MVUDIHWBVKXNBO-VULFUBBASA-N 449.967 5.388 30 10 IKEE CCCSc1nnc(CCc2ccccc2C)n1/N=C/c1ccc(OCC)c(OC)c1 1874361998 IKNWYJVMQVQRKU-KOEQRZSOSA-N 438.597 5.163 30 10 IKEE Cc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2-c2ccccc2Cl)cc1 1874365801 VQMSBSIGYWHASJ-YZSQISJMSA-N 432.980 6.124 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccccc2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874416166 BTAYLWBJHXVRNJ-PCLIKHOPSA-N 443.532 5.260 30 10 IKEE Cc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccc(Cl)c(Cl)c2)cc1 1874440525 FZWLPGAUWRRYRY-DHRITJCHSA-N 447.435 6.656 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C(F)(F)F)cc1 1874461134 XWLFMMCMYCJVGI-BHGWPJFGSA-N 449.458 5.503 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccccc1[N+](=O)[O-] 1874480652 HKNJZFOAHLKIKX-FSJBWODESA-N 447.923 5.496 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2c(Cl)cccc2Cl)nnc1C(C)(C)C 1874485006 ZBUMDMVMBFTEPS-WYMPLXKRSA-N 449.407 6.066 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2C2CCC2)cc1 1874494751 XNJQYSKNILJEKN-WGOQTCKBSA-N 438.572 6.038 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C(C)C)c1 1874514768 KCOUMPHJIMBLGF-WYMPLXKRSA-N 432.952 5.767 30 10 IKEE CCCCOc1ccc(/C=N/n2cnnc2SCc2cccc(Cl)c2)cc1OCC 1874540466 PKATWOABXFFHCL-AFUMVMLFSA-N 444.988 5.684 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCc2ccccc2C)cc1F 1874582213 CWLUXRISGGWNAD-CSKARUKUSA-N 440.898 6.280 30 10 IKEE C=CCOc1c(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc(Br)cc1OC 1874585731 CHJAINLECAFEOG-BQYQJAHWSA-N 431.326 5.544 30 10 IKEE O=C(/C=C/c1c(OCCc2ccccc2)ccc2ccccc12)c1cc(Cl)ccc1Cl 1874591535 PTZGSWFMUOTSHW-WYMLVPIESA-N 447.361 7.664 30 10 IKEE O=C(COc1cccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1)Nc1ccccc1F 1874596593 SCTMXUDVBFNQFT-DHZHZOJOSA-N 444.289 6.046 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OCc2c(F)cccc2Cl)c([N+](=O)[O-])c1 1874611366 KBBCBNHWHLQMNB-PKNBQFBNSA-N 441.842 5.871 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OCC(=O)Nc1ccc(F)cc1 1874617621 LFHDNVFBIWITGW-AWNIVKPZSA-N 447.506 5.755 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OCC(=O)Nc2ccccc2C)c(Cl)c1 1874619891 XWOZKRAEOBMLOF-PKNBQFBNSA-N 449.934 5.879 30 10 IKEE C=CCOc1c(Br)cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1OC 1874629032 IXOYOFZBPZXOTQ-CMDGGOBGSA-N 429.354 6.152 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1Cl 1874630937 BPHIXUUPBFCHBM-KPKJPENVSA-N 443.326 6.486 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3F)c([N+](=O)[O-])c2)c(OC)c1 1874632766 TZJJVUATBAMRQR-YRNVUSSQSA-N 437.423 5.226 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1cccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c1 1874693350 ALFKNQMCQVTFIM-MHWRWJLKSA-N 444.958 6.653 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCCOc3ccccc3C)c2)cc1C 1874696177 MBAITESEKCWKSY-FYWRMAATSA-N 444.527 5.973 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2cccc(/C=C/C(=O)c3ccccc3Cl)c2)cc1 1874696779 LOFDKGPMBSPQDL-SAPNQHFASA-N 448.946 6.563 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cccc(OC(=O)[C@H](C)Oc3ccc(Cl)cc3)c2)c1 1874703260 HLFZJKPSVWHCMU-JNMQVBFRSA-N 434.919 6.226 30 10 IKEE Cc1cnc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(Oc4ccccc4)cc3)c2)cn1 1874712313 FBGOSPRVFAZGAF-XNTDXEJSSA-N 436.467 5.693 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)c(C)c3)c([N+](=O)[O-])c2)c1 1875102519 VCOOGAWKOWRLCK-DHZHZOJOSA-N 431.444 5.336 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1C 1875107397 NWMPAUUEMYVCFW-LZYBPNLTSA-N 428.528 6.416 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(CCCC)cc2)cc(OC)c1OC(=O)CCCC 1875107665 CPQXYGJRWUGXKF-OBGWFSINSA-N 434.576 6.758 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Br)cc2)cc(OC)c1OC(=O)C(C)(C)C 1875109973 MRZWGXRFALECBE-IZZDOVSWSA-N 447.325 5.314 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 1875115306 XDWACVSPVWZXTC-RIYZIHGNSA-N 447.443 5.117 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(-n3cccc3)cc2)cc1)c1cccc(Cl)c1 1875123157 DDCZJFSLARAVJN-OVCLIPMQSA-N 427.887 6.246 30 10 IKEE O=C(COc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1Cl 1875126141 RPINMHBMITVSIJ-WUXMJOGZSA-N 427.283 5.874 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)c1ccccn1 1875126923 ZYOUUFOXWJOJKT-IZZDOVSWSA-N 442.298 5.902 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(C)c3)c(OC)c2)cc1 1875138809 FWPSMERFKQNRJT-RIYZIHGNSA-N 430.500 5.908 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)c1cnc(C)cn1 1875142626 MEEMLZOVGUGSHJ-JXMROGBWSA-N 446.478 5.085 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC(=O)Cc1ccc(F)cc1 1875144290 NYZRGLUDTNQQTB-YRNVUSSQSA-N 434.463 5.196 30 10 IKEE COCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1OC 1875149025 UWRWOKZCPVJWRX-IZZDOVSWSA-N 430.928 5.484 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1Cl 1875158340 QKLPRDIRLFTYNV-AWNIVKPZSA-N 438.882 5.922 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)COC)c(OC)c2)cc1 1875161340 LKLUBLZVXDONMJ-OQLLNIDSSA-N 440.536 5.492 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)cc3)c(Cl)c2)c(C)c1C 1875168262 ZPXCLHGSXCFIBK-FMIVXFBMSA-N 448.946 6.318 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)[C@@H]1CCCO1 1875174851 MFIKLCZLTPOPRP-DJGBTNNQSA-N 428.912 5.336 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cc(Cl)c(OC(=O)C2CCCC2)c(OC)c1 1875192097 UCCRVOWHMGWGBA-VQHVLOKHSA-N 449.330 6.002 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC3CCCCC3)cc2)c(OC)c1OC 1875193887 FHZASKXZRNFROU-RVDMUPIBSA-N 438.520 5.484 30 10 IKEE COc1ccc(NC(=O)Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1C#N 1890971312 RPNNEYFWTDYDDR-UHFFFAOYSA-N 429.907 5.404 30 10 IKEE CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1938158431 XVMLQARPHGRAER-YJBOKZPZSA-N 437.968 5.525 30 10 IKEE CCc1cc(Br)c([C@@H](C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)s1 1942130255 IDKOGUBHQCZGAR-LLVKDONJSA-N 427.286 5.437 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 1943915459 GJWWGBFSLGFFNG-YADARESESA-N 429.561 5.548 30 10 IKEE CN[C@H](CC#CC1CCCCC1)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1947488958 ITRGRUKFXHDJPD-RPWUZVMVSA-N 428.617 5.048 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@@]2(C)CCN2C(=O)OC(C)(C)C)c1 1999896500 IRBZWGDDNYHBBU-DNQXCXABSA-N 429.561 5.418 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 1999948601 ZZNLUKIJYIXFRJ-MWTRTKDXSA-N 433.524 5.106 30 10 IKEE CCCCCC#CC[C@H](NCC)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2024370300 NQXMNHKDPDWAKG-XWGVYQGASA-N 430.633 5.437 30 10 IKEE C=CCCCCCCCCCC(=O)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2026313246 MNSBHZLZLBAYKF-HSZRJFAPSA-N 431.617 6.363 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)ccc1OCC(=O)N(C)C 2040455455 YTLTURVJDBWTBO-UHFFFAOYSA-N 429.516 5.115 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C[C@H]1C1CC1 2073784202 XSRIVFPBIILJKW-NBGIEHNGSA-N 447.620 5.628 30 10 IKEE Fc1cc(C(F)(F)F)ccc1-c1c(C(F)(F)F)nn(C2CCSCC2)c1Cl 2080746481 HEZRPTYKUVTPLU-UHFFFAOYSA-N 432.792 6.448 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cccc(Br)c1Cl 2081391260 FCFFZCHIXIHXSJ-DOTOQJQBSA-N 431.802 5.613 30 10 IKEE N[C@H](CC#CC1CCCCC1)c1cc(I)ccc1Br 2093452128 WKKIYWDSPQJFCD-MRXNPFEDSA-N 432.143 5.027 30 10 IKEE C=CCC[C@@H](C)[C@@H](NCCC)c1cc(Br)ccc1I 2102099801 GPXRLTVHTZMKOD-MLGOLLRUSA-N 436.175 5.697 30 10 IKEE CC1(C)CC2(CC2)C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Br)C1 2146888171 BNXPAXCJSBWAOG-QFIPXVFZSA-N 433.390 6.443 30 10 IKEE CCCN(c1ccc(C#N)c(Br)c1)C1CCC(NC(=O)OC(C)(C)C)CC1 2174809250 YBCAKVSJHDOOHJ-UHFFFAOYSA-N 436.394 5.373 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(C#N)cc2Br)c(F)c1 2181136218 HPNGXUJXSXCZMZ-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE Cc1cc(Br)cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)c1 2228981999 WACNRZNNEURTRY-GOSISDBHSA-N 435.749 6.417 30 10 IKEE CC(C)(C)OC(=O)N[C@@](C)(C1CCCCC1)[C@H](O)C#Cc1ccccc1Br 2235722434 ADBUJVATKLABCH-KNQAVFIVSA-N 436.390 5.025 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)C[C@@H](NC(=O)OC(C)(C)C)C(C)C 2235748334 YHQQUKYTXATTEG-AZUAARDMSA-N 437.422 5.108 30 10 IKEE CCc1ccc(C#C[C@@H](N)c2ccc(Br)cc2NC(=O)OC(C)(C)C)cc1 2239723807 DIRGWFPFMLCXNO-LJQANCHMSA-N 429.358 5.410 30 10 IKEE Cc1cccc(NC(=O)C(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)c1C#N 2243910069 FFZVRGBTWWEKIB-UHFFFAOYSA-N 439.515 5.123 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@H](C#N)c1sc(Cl)cc1Br 2259914388 MRMVMTCDOGRLEB-CYBMUJFWSA-N 445.741 6.309 30 10 IKEE CC(C)N[C@]1(C#N)CCCC[C@H]1CCN(CCN(C)Cc1ccccc1)Cc1ccccc1 2273186743 BHUCCFHLAVFELI-VMPREFPWSA-N 446.683 5.461 30 10 IKEE N#Cc1ccc(C=C2SC(=Nc3ccccc3)N(Cc3ccc(C(=O)O)cc3)C2=O)cc1 2293104182 QNZADJIHGAYPLV-UHFFFAOYSA-N 439.496 5.061 30 10 IKEE O=C(C=Cc1ccc(NC(=O)c2ccccc2-c2ccccc2C(=O)O)cc1)c1ccccc1 2294009893 XNYMPHBZSUCWTP-UHFFFAOYSA-N 447.490 6.200 30 10 IKEE COc1ccc(C=C2C[C@@H]3[C@@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1 2297404290 RZZSYQOCHYTRMK-SPXXJPMQSA-N 448.603 6.152 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2304191618 VJBAGNNIVYZEKY-MOPGFXCFSA-N 427.545 5.110 30 10 IKEE O=C1C(=Cc2cccc(Br)c2)Oc2cc(OCc3ccc(Cl)cc3)ccc21 2314437826 XLXRSXNBYDGPFS-UHFFFAOYSA-N 441.708 6.298 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2Oc3cc(C)c(C)cc3C2=O)cc1F 2314519566 SVMZIFANEBYPCP-UHFFFAOYSA-N 440.474 5.920 30 10 IKEE COc1ccccc1C=C1SC(=NN=CC=Cc2ccccc2)N(Cc2ccco2)C1=O 2314841323 UVUWVKGQHWAVAS-UHFFFAOYSA-N 443.528 5.460 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]2C)c1 2321344754 MLICLKPBRFMECH-MHPIHPPYSA-N 443.588 5.664 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc4c3CN(Cc3ccccc3Cl)CO4)C2=O)cc1 2321958297 JEYARWALGVEKQL-UHFFFAOYSA-N 447.918 5.707 30 10 IKEE Cc1ccccc1CCc1nnc(S)n1N=Cc1ccccc1OCc1ccccc1C 2321993830 RDYRJAQCFRHZQB-UHFFFAOYSA-N 442.588 5.430 30 10 IKEE CCCCCOc1ccc(C=Nn2c(S)nnc2COc2c(C)ccc(C)c2C)cc1 2322161053 SHIDPYVFBFPBLK-UHFFFAOYSA-N 438.597 5.522 30 10 IKEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1ccc(F)cc1F)NCc1ccccc1 2322501954 FZGGDIVWUAEPED-UHFFFAOYSA-N 441.861 5.210 30 10 IKEE C=C(C)COc1c(C=CC(=O)c2cc(OCC)ccc2OCC)cc(Cl)cc1OC 2322860543 KNGOOGDBRHUYNI-UHFFFAOYSA-N 430.928 5.997 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC)c2OCc2cccc(Cl)c2)cc1C 2322999037 TVNJYHNYMMBPTP-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE O=C(COc1cccc(C=CC(=O)c2ccc(Cl)cc2Cl)c1)Nc1nccs1 2323075982 HAGOLXGMMBSJEG-UHFFFAOYSA-N 433.316 5.364 30 10 IKEE CCCCCCCCCOc1ccc(C=NNc2nc(O)cc(C(C)C)n2)c(Cl)c1 2323248226 QPYXQWNRERAWGW-UHFFFAOYSA-N 432.996 6.534 30 10 IKEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C[C@H]1CC(C)C 2323473005 BKNXJHDEZYQMOZ-ATIYNZHBSA-N 444.616 5.191 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1OCC(=O)OC 2323520474 CNSZMROJAFVXIU-UHFFFAOYSA-N 443.710 5.493 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(OC)c(OCc2cccc(F)c2)c(OC)c1 2323992225 HHAUCADFQFEWDY-UHFFFAOYSA-N 436.479 5.635 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cc(C)cc(C)c3)cc2)cc1F 2324107444 GFPSSLFBFRTJTA-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2cccc3ccccc23)cc1 2324128224 QULQSSHUVYQRDH-UHFFFAOYSA-N 435.523 6.316 30 10 IKEE COc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1sccc1C)C2=O 2324472535 VYRDIUSXBNZAOQ-HNNXBMFYSA-N 435.501 5.087 30 10 IKEE COc1ccccc1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccccc1F)C2=O 2324473735 WQKADIVPODNZOU-INIZCTEOSA-N 447.462 5.165 30 10 IKEE COc1cccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccc(Cl)cc4)ccc3C2=O)c1 2324609874 YKKUYCLECPWUKO-HNNXBMFYSA-N 449.890 5.371 30 10 IKEE Cc1cccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccc(F)cc2)c1 2325440566 XRPZXQMFRYTPMV-UHFFFAOYSA-N 430.552 5.685 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1c[nH]c2ccccc12 2325571642 XGENMDPKGRACPF-UHFFFAOYSA-N 444.391 6.193 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccccc4Cl)c3C)C2=O)cc1 2325718311 WWYVHVUJIZRTCJ-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(OC)cc3OC)c2)cc1 2325734463 FWDWWUSXPGHZGY-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)c1 2325740456 MXCXCMSPHLPEEF-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1OC(=O)CCc1ccccc1 2325755259 PGPWLLONYVHQNX-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(OCC)c(Cl)c1 2326251894 QIWLMHQUNFVXDE-UHFFFAOYSA-N 432.952 5.596 30 10 IKEE CCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccc(OC(C)C)c(Cl)c1 2326379811 ASUGJSZYFZGGKT-UHFFFAOYSA-N 428.989 5.764 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccccc1 2327929317 FZKIGJIBIMOQFL-UHFFFAOYSA-N 447.007 6.200 30 10 IKEE CCCCC1CCC(c2nnc(SCC)n2N=Cc2ccc(C(F)(F)F)cc2)CC1 2328147359 QJTFSCPWSROOGC-UHFFFAOYSA-N 438.563 6.755 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccccc1)NC(=O)C=C(c1ccc(C)c(C)c1)C1CC1 2329553971 MZPWEZDOKSFPIC-HHHXNRCGSA-N 442.603 5.025 30 10 IKEE CC(C)(C)c1ccc(NC(=O)N[C@H]2CCN[C@@H](C(=O)C=Cc3ccc(Cl)cc3)C2)cc1 2329669141 VDPFAESXDIXKHV-FCHUYYIVSA-N 439.987 5.162 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccccc3)n2N=Cc2ccc(F)cc2)c1 2329888235 IZAKCQLQPFPAET-UHFFFAOYSA-N 432.524 5.479 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)cc2)n1N=Cc1c(OC)ccc2ccccc12 2329984752 AFJRZHOIFDECKQ-UHFFFAOYSA-N 442.588 5.890 30 10 IKEE COc1ccccc1C=Nn1c(SCc2ccc(F)cc2)nnc1[C@H](C)c1ccccc1 2330058003 QXTVKAAIMZODHU-GOSISDBHSA-N 446.551 5.752 30 10 IKEE CCCSc1nnc([C@H](C)c2ccccc2)n1N=Cc1cc(Br)ccc1O 2330123580 PSBHFTNRHGTOPP-CQSZACIVSA-N 445.386 5.282 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1 2330621646 HYNZECPGBAGUIQ-UHFFFAOYSA-N 435.863 5.683 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)c(C)c3)c(OC)c2)cc1OC 2330736119 XAPGAQXBVOFADX-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(Oc4ccccc4)c3)cc2)cc1 2330741171 NRUSHOUKNRHJJZ-UHFFFAOYSA-N 448.518 7.157 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(OC)c2)cc(OC)c1OC(=O)c1cccc(C)c1 2330798505 FSRBTECQHIDCON-UHFFFAOYSA-N 442.511 5.856 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3sccc3C)c(OC)c2)cc1 2330955123 ZYVWVSFEQNEVTC-UHFFFAOYSA-N 438.501 5.198 30 10 IKEE Fc1ccccc1C=Nn1c(SCc2c(Cl)cccc2Cl)nnc1C1CCCC1 2331081422 BUUUWFDZZBPCEV-UHFFFAOYSA-N 449.382 6.556 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc(Cl)c2)c(Cl)c1)c1cccc(Cl)c1 2331123254 XTWFRUXTUZXMEF-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C(F)(F)F)c1 2331150478 LQUUCWCPPSZQKX-UHFFFAOYSA-N 426.851 5.139 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)c1ccc(F)c(F)c1F 2331236609 LLFBEMMEUFMKCY-UHFFFAOYSA-N 440.417 5.845 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(OCC)cc3)cc2)cc1 2331294053 KYWQHCWJENKSGO-UHFFFAOYSA-N 444.527 5.918 30 10 IKEE COCCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccccc1F 2331294137 UZHBIVSOVLTIOD-UHFFFAOYSA-N 439.343 5.087 30 10 IKEE Cc1ccc(CSc2nnc(C(C)(C)C)n2N=Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1 2331358974 LTBKOLSMXIBSFJ-UHFFFAOYSA-N 443.960 5.620 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2331376348 VCROFVPOUNIHJC-UHFFFAOYSA-N 447.923 5.451 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC(=O)CSc1ccccc1 2331376979 RTUNTAZJGGELGC-UHFFFAOYSA-N 448.540 5.606 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)c3c(F)cccc3Cl)cc2)c1 2331381058 CPEDWIJNLWVCLF-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)CC1CCCCC1 2331405089 PPIRDGIBQLSOHH-UHFFFAOYSA-N 436.504 5.238 30 10 IKEE COC(=O)c1ccc(CSc2nnc(C3CCC3)n2N=Cc2ccc(C(C)C)cc2)o1 2331529066 DUKYXAHWRCPZSU-UHFFFAOYSA-N 438.553 5.223 30 10 IKEE Cc1cccc(C(=O)Oc2ccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)cc2Cl)c1 2331646657 PWZCQPXVLDYCGU-UHFFFAOYSA-N 432.947 6.997 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc(OC)c1OC(=O)C(C)(C)C 2331670035 JUWKGXLWEFKTOV-UHFFFAOYSA-N 436.548 5.897 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc([N+](=O)[O-])c1OC(=O)C(C)C 2331774115 OYFUZKLNYZIEBU-UHFFFAOYSA-N 425.481 5.376 30 10 IKEE CC1(C)OB(C=Cc2ccc(N[C@@H]3CC[C@H]4CN(Cc5ccccc5)C[C@H]43)nc2)OC1(C)C 2365066732 YGJVXDPDLMFCEG-RBZQAINGSA-N 445.416 5.049 30 10 IKEE CC(=O)Nc1ccc(/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1 1021102 JKAHSOXJGAFGCN-ZVHZXABRSA-N 437.293 5.377 30 10 IKEE CCOC(=O)c1cc(CC(C)C)sc1/N=C/c1c(O)ccc2oc3c(c12)CCCC3 3150637 NQNZIIHCSWWMBK-DHRITJCHSA-N 425.550 6.205 30 10 IKEE C=CC(C)(C)c1cc([C@H]2COc3cc(O)c(CC=C(C)C)c(O)c3C2=O)c(OC)cc1O 15121009 UTHDGFYWNZCMEW-QGZVFWFLSA-N 438.520 5.143 30 10 IKEE biogenic O=[N+]([O-])c1ccc(/C=N/c2cccc(C3=NN(c4ccccc4)[C@@H](c4ccccc4)C3)c2)cc1 15773867 OWRGJHANUPNOTG-CNXRAYQQSA-N 446.510 6.701 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(O)cc2)cc1 21226858 OZBLUESEQWINFN-XHCCPWGMSA-N 426.516 5.770 30 10 IKEE C=C(CC[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)C(C)C 31424881 XHFAXVFEJWTPSR-NJXLHFAASA-N 446.672 5.067 30 10 IKEE CC(C)c1ccc(/C=C/C(=O)c2ccc(OC(=O)c3ccccc3Br)cc2)cc1 34955611 AOHZTNPAYBLQBD-CXUHLZMHSA-N 449.344 6.688 30 10 IKEE C=CCC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C1CC1 36316042 NYPKPGBSVCGHKE-HSZRJFAPSA-N 431.580 5.479 30 10 IKEE CCOc1ccc(/C=C2\S/C(=N/c3ccccn3)N(C3CCCCC3)C2=O)cc1OC 39863016 UVINSXYRVNYRLD-UDYMOMHISA-N 437.565 5.426 30 10 IKEE COc1cccc2cc(C(=O)Oc3ccc4c(c3)O/C(=C\c3ccccc3C)C4=O)oc12 41354173 DSPGXESUPNVDFM-UUYOSTAYSA-N 426.424 5.585 30 10 IKEE Oc1ccc2ccccc2c1/C=N/c1cc(C(F)(F)F)ccc1N1CCc2ccccc2C1 59463184 FGMZNZDZQIKLJU-WCMJOSRZSA-N 446.472 6.878 30 10 IKEE CC[C@@H](C)Oc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OC(C)C)cc2)C3)cc1 59530915 RVYORPVTVDVABS-JLGINSKQSA-N 447.575 5.655 30 10 IKEE CCCCCCCC(=O)NC(=S)Nc1cccc(C(=O)N(C)Cc2ccccc2)c1 59853905 NHWBGFRQRCKCLL-UHFFFAOYSA-N 425.598 5.132 30 10 IKEE N#Cc1ccccc1Sc1ccccc1C(=O)NCC1(c2cccc(F)c2)CCOCC1 60017761 KCWHZIRCVAZGFX-UHFFFAOYSA-N 446.547 5.327 30 10 IKEE O=C(/C=C\c1cn(C[C@@H](O)CN2CCc3ccccc32)c2ccccc12)c1cccs1 96498791 LVUSTTLJPLEOCA-GMGKOPGTSA-N 428.557 5.023 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)cc1 100153122 BZLCAFJCXNDKCU-UHFFFAOYSA-N 429.582 6.015 30 10 IKEE C=CCN1C(=O)/C(=C/c2cccc(Br)c2)S/C1=N/c1cccnc1Cl 101126741 IKYSWLRUYJQLGO-ZLOINBNRSA-N 434.746 5.288 30 10 IKEE Cc1c(/N=N/c2ccc(/N=N\c3ccccc3)cc2)c(O)n(Cc2ccco2)c(=O)c1C#N 101146229 ZMZFXXZJFYLSMD-KVZOUHTRSA-N 438.447 6.206 30 10 IKEE O=S(=O)(/N=C(\c1ccccc1)N(Cc1ccccc1)c1ccccc1)c1ccccc1 105914851 RMPUKRNRVFTEMI-CYYJNZCTSA-N 426.541 5.529 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\Nc2cnn(C)c(=O)c2Cl)c(Cl)c1 169894559 LMXBDOVOCPXXIC-OYKKKHCWSA-N 439.387 5.663 30 10 IKEE CCCN1C(=S)N[C@H](c2ccc(Oc3ccc(Cl)cc3)cc2)C2=C1CCCC2=O 169929777 RWMPQZWMRVRVDC-JOCHJYFZSA-N 426.969 5.781 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2cccc(C)c2)c1 169930434 VAYBNZHKBNXVRC-DEOSSOPVSA-N 438.483 5.268 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2ccc(F)cc2)=C(N(C)c2ccccc2)C1=O 169985771 AKRJSOLYIORQBK-UHFFFAOYSA-N 436.571 6.183 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]2c2cccs2)cc1C 169986541 CWVSULWGOMQQEZ-OAQYLSRUSA-N 437.948 6.110 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2cccs2)c1 169988195 QUVPFJLPGGILSJ-HXUWFJFHSA-N 425.456 5.426 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)cc1 170061782 ICSLJURMZGXEEQ-JOCHJYFZSA-N 435.882 5.824 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(C(C)C)cc2)s1 170068300 WWIUNPVYENMJIF-OAQYLSRUSA-N 447.560 5.057 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2sccc2C)cc1C 170106210 MNZACBNLNPDUHF-HXUWFJFHSA-N 437.948 6.110 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccc(C)c2)c1 170142353 QNNLPGOZNMIDAE-DEOSSOPVSA-N 438.483 5.048 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@@H]1c1cccs1 170157974 ARMRHBDGWVATTQ-JOCHJYFZSA-N 447.556 5.773 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccs2)c1 170162369 AVIOQUUWNGIYGM-IBGZPJMESA-N 443.908 5.172 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccn2)cc1 170173218 WHTOITGYOZSUOD-DEOSSOPVSA-N 442.515 5.434 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccccc2)cc1C 170225276 CSTRZIFNUYJEJS-XMMPIXPASA-N 427.500 5.403 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1F)c1ccc2c(c1)CCCC2 170248157 MLGPGGYHHCWQIU-XMMPIXPASA-N 445.465 5.627 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccc(O)c2)cc1 170256877 VJGWENQVRRCBGN-QFIPXVFZSA-N 449.528 5.021 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@H]1c1ccc(CC)cc1 170267838 OYCCZKYGDDABAR-HXUWFJFHSA-N 442.353 5.308 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cn(C)c2ccccc12 170269247 LWRYNMLKBYNVJK-VWLOTQADSA-N 438.527 5.710 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cc4cc(Cl)ccc4o3)=C(O)C(=O)N2Cc2ccncc2)o1 170308019 IPDDNEMBYFNNIO-NRFANRHFSA-N 448.862 5.161 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cccc(Br)c2)o1 170401963 BRFRVIDBEXKPDT-KRWDZBQOSA-N 444.306 5.195 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1)c1cccs1 170421941 NGTZQCSIQXQMPF-FQEVSTJZSA-N 441.911 5.362 30 10 IKEE CCOc1cc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cccc(C)c2C)ccc1OC 170440453 HGUMNQFZVJVLNY-QHCPKHFHSA-N 447.487 5.087 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(C)cc2C)cc1 170454400 WMIPJJGDDRIOEJ-RUZDIDTESA-N 434.580 5.665 30 10 IKEE C=CCOc1ccccc1OCC(=O)Nc1cccc(-c2csc(-c3ccncc3)n2)c1 170538224 XKNFTLBOKOBBOU-UHFFFAOYSA-N 443.528 5.454 30 10 IKEE Cc1noc(C)c1CSc1ccccc1C(=O)Nc1cccc(C#Cc2ccccc2)c1 251988214 IGDIZWUNKJAFJF-UHFFFAOYSA-N 438.552 6.236 30 10 IKEE Cc1nc2cc(N=Cc3ccc(Br)c([N+](=O)[O-])c3)ccc2n1Cc1ccccc1 252625330 QHPDNENGOCDLED-UHFFFAOYSA-N 449.308 5.814 30 10 IKEE COc1cc(/C=C2/SC(=Nc3ccc(C)cc3)N(CCc3ccccc3)C2=O)ccc1C 254871171 PQVSWPBQFGSBKC-OFGWUVNBSA-N 442.584 6.159 30 10 IKEE CC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 256078660 ICFXJOAKQGDRCT-KPDJONKASA-N 428.701 7.204 30 10 IKEE endogenous,in-man C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)cc1)NCCC 406439173 JVKWHVUHMMUIPU-OALUTQOASA-N 425.411 5.219 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)c(Cl)c3)[C@H]2c2cccc(O)c2)cc1 526491053 QJTJSIIEWIIJKT-OAQYLSRUSA-N 437.282 5.628 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2c(C)[nH]c3ccccc23)cc1 526515469 KFWXUJGOOWGEGF-SANMLTNESA-N 449.510 5.804 30 10 IKEE COc1cc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccccc2C)cc(Cl)c1O 526773155 OYPZJCUNAZOYJT-NRFANRHFSA-N 449.890 5.146 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1c(C)n(CC)c2ccccc12 526802359 GXZYOYMVOIEGFD-YSMPRRRNSA-N 435.572 5.827 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1c(C)n(C)c2ccccc12 526808454 JMGDPOUGWVONGD-QQXSKIMKSA-N 431.609 5.904 30 10 IKEE Cc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1ccc(OCc2ccccc2)cc1 526823239 TZNPALIIFGLFGL-YUMHPJSZSA-N 439.544 5.212 30 10 IKEE C#CCN(c1ccc(OCC(C)C)cc1)S(=O)(=O)c1ccc(CCCCCC)cc1 586233493 PDDQHBWPYCRMMX-UHFFFAOYSA-N 427.610 5.673 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(CCCC#N)c2cccc(SC)c2)cc1 586236611 PMAUCOTTYNPPCZ-UHFFFAOYSA-N 430.639 6.030 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](Nc3ccc(C#N)cc3Br)C(C)(C)[C@H]21 693666287 JTXUYUUFWPIIDH-JLSDUUJJSA-N 434.378 5.157 30 10 IKEE C[C@H]1CC[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)CN1C(=O)OC(C)(C)C 698354876 UCOJFAKLFYCDBE-UUOWRZLLSA-N 429.561 5.105 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccc(Cl)cc1Br 698421200 YBMMAYBSAWCFGQ-SFHVURJKSA-N 435.749 6.417 30 10 IKEE CSc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)cc1 698453042 SJWNZRYAWYRNCF-GOSISDBHSA-N 433.371 6.177 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@H](C#N)c1ccc(OCc2ccccc2)cc1 710701269 DDGSPQAHVBNIRZ-XMMPIXPASA-N 432.495 6.411 30 10 IKEE O=C(Nc1ccccc1)c1c(N=Cc2ccc(Cl)cc2Cl)sc2c1CCCC2 1084376532 SVULHVXKYCKELV-UHFFFAOYSA-N 429.372 6.937 30 10 IKEE C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5CCCCO5)CC[C@@]43C)[C@H]1CC[C@H]2[C@@](C)(O)C=O 1088714301 YSVJDFIWOQKWTF-VEPATJOQSA-N 430.629 5.427 30 10 IKEE CC(/C=C1\S/C(=N\N=C/c2ccccc2O)N(Cc2ccco2)C1=O)=C\c1ccccc1 1554646684 DQGIMOIJYALVHJ-UXTFBEHYSA-N 443.528 5.438 30 10 IKEE CC1=C[C@@]2(C)C=C(C)[C@H]3[C@H](C(C)=C[C@@]3(C)[C@@H]1C)[C@H]2/C=C/C(O)=C1/C(=O)[C@H]2CCCN2C1=O 1613882138 WDPIULZTNJKEMP-FSRHQRAQSA-N 433.592 5.305 30 10 IKEE O=C(/C=C\c1c[nH]nc1-c1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2cccs2)cc1 1772727967 AYVOAJQFZPVYPQ-FLIBITNWSA-N 444.472 5.195 30 10 IKEE C/C(=C1\SC(=Nc2nnc(C)s2)N(c2ccccc2)C1=O)c1ccc(Cl)cc1 1772739490 UGAFVAMNMNRMIN-UBLAJHMLSA-N 426.954 5.699 30 10 IKEE Cc1ccc(NC(=S)N/N=C\c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 1857810638 APLBMSQIRFLLEZ-QQXSKIMKSA-N 425.561 5.477 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(Cl)cc2Cl)c(=O)cc1C(=O)O 1857891093 MGIPGTQQUNLVGK-UHFFFAOYSA-N 426.340 5.793 30 10 IKEE N#Cc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)n(Cc3ccccc3Cl)n2)cc1 1859386247 DEOCAGJMYRRPAO-UHFFFAOYSA-N 430.870 5.515 30 10 IKEE CCOC(=O)c1sc(NC(=O)c2cnc(-c3ccc(Cl)cc3)s2)c(C#N)c1C 1859735935 CZYLROVBYMFYMK-UHFFFAOYSA-N 431.926 5.134 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc(-c2ccc(Br)cc2)nc1C 1859781207 SYYBFPSOYDPIGI-UHFFFAOYSA-N 431.418 6.690 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccccc1Cl 1862402709 FVFCPESEAUGTQS-QFIPXVFZSA-N 441.955 5.816 30 10 IKEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@H]2c2ccccc2)cc1 1862413257 YORMHZWCSCTQLC-IQMFZBJNSA-N 449.453 5.313 30 10 IKEE O=C(C1=C(O)C(=O)N(C23CC4CC(CC(C4)C2)C3)[C@@H]1c1ccccc1)c1cccc(Cl)c1 1862442170 PYNNQXNEGJHGQV-RXCMBHOCSA-N 447.962 5.887 30 10 IKEE CCN(CC)CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccccc1 1862442687 UGYCVGOBUAWMPM-JOCHJYFZSA-N 440.971 5.040 30 10 IKEE CCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1 1862475440 LOTDKURNVPFIDI-RUZDIDTESA-N 433.592 6.714 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862489252 SWIIRFSBSNZGFN-DEOSSOPVSA-N 445.490 5.230 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cccc(C)c1 1862507330 JBKMRXWPVGUKQN-XUZZJYLKSA-N 437.555 6.380 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2cccc(F)c2)cc1 1862530843 YZTGTCHUNGHYHW-XMMPIXPASA-N 429.491 5.475 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(OCCCC)cc1 1862537736 CAGOOFARWUXTMV-RUZDIDTESA-N 449.591 6.196 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)cc1 1862543705 NBSRJCIWICRTRQ-YZXAJQSBSA-N 443.587 6.031 30 10 IKEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2cccc(C)c2)cc1 1862589919 WYGDRPUTIRIWOA-MZNJEOGPSA-N 443.499 5.049 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(F)cc2F)cc1 1862618466 UWOSXWROFYTFQB-JOCHJYFZSA-N 439.502 5.783 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(Cl)cc1 1862628154 WZGFGNPOUQJMEY-NRFANRHFSA-N 441.911 5.227 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccccc1C 1862660324 KKWCGXHUAWJXOZ-OZXSUGGESA-N 447.619 7.056 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccc(O)cc2)cc1 1862663137 PRPUTXOJXRQUEN-XMMPIXPASA-N 445.490 5.433 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CCCC2)c1 1862664986 VRITUCGNEBVVDA-DEOSSOPVSA-N 433.548 5.730 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCCc2ccccc2)[C@@H]1c1ccccc1)c1ccc(F)cc1 1862673347 DAJZPJVULHPPEL-XMMPIXPASA-N 429.491 5.427 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2ccc(C)cc2)cc1 1862687474 LEELLCZVSIFGIO-RUZDIDTESA-N 441.527 5.215 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@H]1c1ccccc1)c1ccc2ccccc2c1 1862713343 MVMRYAPCVAXQJW-VWLOTQADSA-N 437.470 5.757 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1[C@@H]1CCCC[C@H]1C 1862713630 SKAMCQYCWYEULQ-GJQIQAERSA-N 439.555 6.305 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(F)cc1 1862724754 SKGXCZAFDJAYHQ-RUZDIDTESA-N 443.518 6.117 30 10 IKEE CCCCc1ccc(NC2=C(c3ccccc3F)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862925684 ANAACCQPICQGSN-UHFFFAOYSA-N 439.490 5.437 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cccc(Cl)c3C)C2=O)c1 1863019780 LDYBAWDGFYTHLC-UHFFFAOYSA-N 441.918 5.534 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C(C)(C)C)cc2)=C(c2ccc(C)cc2)C1=O 1863265818 XQGOCHRYQTZNHB-UHFFFAOYSA-N 446.635 6.845 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(Nc3ccccc3C#N)=C(c3ccccc3F)C2=O)cc1 1863306014 MIGLIGBVQASRLU-QGZVFWFLSA-N 439.490 5.213 30 10 IKEE C=CCN(CC=C)c1cc(N(C2CCCCC2)C2CCCCC2)nc(-c2ccccc2)n1 1867970077 MEBNOHVYEZEUDR-UHFFFAOYSA-N 430.640 6.794 30 10 IKEE CCCCC1CCC(C(=O)Nc2c(C#N)nnn2-c2ccc(Nc3ccccc3)cc2)CC1 1870153906 HKRFIJVAKJWCQS-UHFFFAOYSA-N 442.567 5.818 30 10 IKEE CCCCCCCCCCn1cc(OCC2CCCCC2)c(=O)cc1CSC(C)(C)C 1870276273 RGXQLDMTPVYKOG-UHFFFAOYSA-N 449.745 7.980 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)OCCC)c(=O)cc1CN(CC)CC 1870334585 MKPFHSZAEXLWGZ-UHFFFAOYSA-N 436.637 5.163 30 10 IKEE CCCCCCCCCCn1cc(OCCCCC)c(=O)cc1CN1CCC[C@H](C)C1 1870678629 FDQVPOILALIGRW-DEOSSOPVSA-N 432.693 6.790 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)NCCC)c(=O)cc1CN(C)CCCC 1870681724 QQEGPFGCHJHGBO-UHFFFAOYSA-N 449.680 5.126 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1COc2ccc3c(c2C1)O/C(=C\c1ccc(C(C)(C)C)cc1)C3=O 1871350562 LDNILUZAYKPXGV-CFJWEWOWSA-N 431.576 6.331 30 10 IKEE CCCCCCN1COc2ccc3c(c2C1)O/C(=C\c1cn(CC)c2ccccc12)C3=O 1871352199 UEHPHBPCTUMDIO-MYYYXRDXSA-N 430.548 6.010 30 10 IKEE Cc1cc(OC(=O)c2ccc(Cl)c(Cl)c2)cc2c1C(=O)/C(=C/c1ccc(F)cc1)O2 1871372334 LIETWNYLVAOJNB-UKWGHVSLSA-N 443.257 6.276 30 10 IKEE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 1871383635 PHTCENICRSMHQD-CFRMEGHHSA-N 432.447 5.696 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1 1871389477 XSHXYKADXVOSCB-UCQKPKSFSA-N 428.440 5.146 30 10 IKEE CC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(Cl)c2)C3=O)c1 1871390121 HCOZYLLNDGIFQM-UUYOSTAYSA-N 448.858 5.409 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OCCCOc3ccc(Cl)cc3)ccc2C1=O 1871404904 GWAZFIZICMRJDP-STZFKDTASA-N 426.921 6.174 30 10 IKEE Cc1cccc(OCCCOc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)c1 1871405766 PFCSNAWLFYVYQK-PKAZHMFMSA-N 428.528 6.583 30 10 IKEE COc1ccccc1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1cccc(F)c1)C2=O 1871411886 LFQBDPBLHNFNJO-YOBACFSGSA-N 447.462 5.165 30 10 IKEE CCCCCCCCCOc1ccc2c(C)c(-c3ccc(OC)c(OC)c3)c(=O)oc2c1 1871429698 PGSUUYGHCAXHFH-UHFFFAOYSA-N 438.564 6.915 30 10 IKEE N#C[C@@H](C(=O)Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc3ccccc3c2)cs1 1872760002 FFAUVVSNBQJPEP-SFHVURJKSA-N 437.351 6.689 30 10 IKEE COc1cccc(-c2csc([C@@H](C#N)C(=O)c3c(Cl)ccc(Cl)c3Cl)n2)c1 1872761991 ARDSMVVSQYAZNB-LBPRGKRZSA-N 437.735 6.269 30 10 IKEE CC(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)c1 1872785069 DTAKRHFWVVJXFS-OAQYLSRUSA-N 431.561 5.865 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)c2cccc3ccccc23)n1 1872786044 CJPYHHJWJWSUDW-FQEVSTJZSA-N 432.932 6.424 30 10 IKEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)NCCCCCCCC)cc2[nH]1 1872808349 XRMPLLBXBTWIAK-UHFFFAOYSA-N 435.568 5.797 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1CC(=O)N([C@@H](C)C23CC4CC(CC(C4)C2)C3)C1 1873937054 XRESFGQFHPLRCN-WYUOOQALSA-N 430.677 5.697 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccco1 1874281067 PCIWYPKAEVVQKA-MFKUBSTISA-N 436.968 5.793 30 10 IKEE Cc1cccc(/C=N/n2c(Cc3ccc(Cl)cc3)nnc2SCc2ccccc2C)c1 1874336867 KOFJCWQDBUIEQD-JVWAILMASA-N 447.007 6.314 30 10 IKEE Cc1ccccc1CSc1nnc(CCOc2ccccc2)n1/N=C/c1cccc(F)c1 1874345077 UYGCJGQGCHAVIN-WPWMEQJKSA-N 446.551 5.522 30 10 IKEE CCCSc1nnc(COCc2ccccc2)n1/N=C/c1ccc(Br)cc1 1874355461 ZWQXFKRENSKUKO-LPYMAVHISA-N 445.386 5.142 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2/N=C/c2ccc[nH]2)cc1C 1874358920 GPCOBZASMXFSIM-VULFUBBASA-N 435.984 5.642 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2)n1/N=C/c1ccc(F)cc1 1874362613 NLLLAOXMZYOJNC-WPWMEQJKSA-N 430.552 5.685 30 10 IKEE Cc1ccccc1CSc1nnc(COc2ccccc2)n1/N=C/c1ccc(O)cc1 1874383129 ZRCWIVRVJNXJAY-MFKUBSTISA-N 430.533 5.046 30 10 IKEE Cc1ccc(/C=N/n2c(COc3ccccc3)nnc2SCc2cccc(Cl)c2)cc1 1874386160 AWNQRRDHGIHSTJ-CVKSISIWSA-N 448.979 5.993 30 10 IKEE CCCOc1c(/C=N/n2c(SCCC)nnc2[C@@H](C)c2ccccc2)cccc1OC 1874398959 GOPTZKMDGPBWRZ-WLXKGNRNSA-N 438.597 5.612 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccccc2)n1/N=C/c1c[nH]c2ccccc12 1874416170 BWYPOLAMIOOMCU-OGLMXYFKSA-N 437.572 5.833 30 10 IKEE Clc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2C2CCCC2)cc1Cl 1874455939 RIPVTIFDRANTRI-MFKUBSTISA-N 445.419 6.460 30 10 IKEE CCCCc1nnc(SCC(=O)OCC(C)C)n1/N=C/c1ccc(C(C)(C)C)cc1 1874479935 ZYLKUIWEGNIVRT-ZVHZXABRSA-N 430.618 5.092 30 10 IKEE CCCN(CCC)C(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1ccc(C(C)C)cc1 1874485230 KNQDMMXDBOEKLH-PCLIKHOPSA-N 443.661 5.322 30 10 IKEE CSc1nnc(CC(C)C)n1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1874486123 BQJQIQLGGSIQEA-WGOQTCKBSA-N 430.577 5.813 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C(C)C)cc1OC 1874513814 QSNBPKDPOIAQGP-FSJBWODESA-N 430.961 5.247 30 10 IKEE CCCCCCOc1ccc(/C=N/n2c(S)nnc2[C@@H](C)c2ccccc2)cc1OC 1874561056 BYBCKBARADSYIF-WLXKGNRNSA-N 438.597 5.569 30 10 IKEE C[C@H](c1ccccc1)c1nnc(S)n1/N=C/c1cccc(OCc2ccc(F)cc2)c1 1874561568 XKYGUQNBMYLUSO-CIRUFVMISA-N 432.524 5.319 30 10 IKEE Cc1cccc(OCc2nnc(S)n2/N=C/c2cccc(OCc3ccccc3)c2)c1C 1874563268 SHIMLCPYUJHSJH-CVKSISIWSA-N 444.560 5.224 30 10 IKEE COc1cc(/C=N/n2c(S)nnc2CCc2cccc3ccccc23)ccc1OC(C)C 1874567909 XPCSXYXIKKGIMD-WGOQTCKBSA-N 446.576 5.183 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Br)ccc2OCc2cccc(C)c2)c1 1874572358 JJMZFVOISDQKGM-PKNBQFBNSA-N 437.333 6.241 30 10 IKEE C=C(C)COc1c(/C=C/C(=O)c2cc(C)ccc2OC)cc(Br)cc1OC 1874581081 VTDVUCIEGKYAEG-BQYQJAHWSA-N 431.326 5.626 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cccc(C)c3C)c(Cl)c2)cc1 1874609425 QLJNPOLMXFVWSK-NTUHNPAUSA-N 449.934 5.879 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)cc1 1874614031 ZTVDOCOJPBHQOC-LICLKQGHSA-N 429.516 5.616 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1 1874615077 GDYBODYZZIGBQO-RIYZIHGNSA-N 445.515 5.316 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c1 1874618988 CWYVZWCYIAEELR-IZZDOVSWSA-N 443.326 6.486 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Cl)c1OCCc1ccccc1 1874625913 CTUOBFZCOIPDSR-JXMROGBWSA-N 428.862 6.144 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2ccc(OCc3ccccc3)c(Cl)c2)cc1Cl 1874630909 ALJJVSRIOJHXSY-CSKARUKUSA-N 443.326 6.486 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc(Br)c1OC 1874638710 NYGPKMVHKIJORM-PKNBQFBNSA-N 441.321 5.914 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1OC(=O)c1ccc(F)cc1F 1874699881 RAWICWNURUFSAO-KRXBUXKQSA-N 430.353 5.367 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OC(=O)c1[nH]c2ccc(C)cc2c1C 1874702934 QXGCKMRCJGEXIV-MDWZMJQESA-N 439.511 6.217 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cc4ccccc4n3C)c2)cc1 1874703187 COQNHIITFBUNDD-LFIBNONCSA-N 439.511 6.082 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccccc2Br)c1)c1ccc(F)c(F)c1 1874710804 JXAOBXQPEOPIAP-DHZHZOJOSA-N 443.243 5.843 30 10 IKEE C=CCN(CC=C)CCC(=O)c1cccc(NC(=O)CCCOc2ccccc2Cl)c1 1874722797 PBXDRMUXRSJQII-UHFFFAOYSA-N 440.971 5.385 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)cc([N+](=O)[O-])c1OC(=O)C(C)(C)C 1875111709 JCMHJBLYQBWKKJ-ZHACJKMWSA-N 431.872 5.495 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC(=O)CCc1ccccc1C 1875124008 OSMJKOMIDCUMSR-KPKJPENVSA-N 436.454 5.716 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)Cc1cccs1 1875131307 QKPJDZYZGNNSLY-VQHVLOKHSA-N 440.948 6.071 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)c1cc(C)cc(C)c1 1875175913 NIWDNTVYXCISEF-VQHVLOKHSA-N 448.946 6.698 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2cc(C)ccc2C)cc1 1875182164 PPXVMGIIEVZVGT-FMIVXFBMSA-N 448.946 6.318 30 10 IKEE O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1cc(C(F)(F)F)ccc1C(F)(F)F 1891671763 MMXGKORNEOGGHF-UHFFFAOYSA-N 437.283 5.544 30 10 IKEE C=CCC(C)(C)[C@@H](N)c1sc(Br)c(Br)c1Br 1903143369 IPQUENJJXOTPKM-VIFPVBQESA-N 432.019 5.638 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CC[C@@](F)(CNC(=O)OC(C)(C)C)C1 1906885947 PULXSQIDWJGFHQ-SLSDLSHTSA-N 434.596 5.161 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@]1(CNC(=O)OC(C)(C)C)CC12CCC2 1922093219 ATASNNQRXSVTCK-ATIYNZHBSA-N 428.617 5.213 30 10 IKEE CCCN[C@H](CC#C[Si](C)(C)C)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 1987471396 IGYIYAFOJFMKGJ-QHCPKHFHSA-N 430.709 5.843 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@]1(C#N)CCCC[C@@H]1OCc1ccccc1 1998817778 IWNKGWFKUIXKSQ-JYFHCDHNSA-N 426.601 6.368 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 1999940783 FDJOVVXTZNHZEQ-HOYKHHGWSA-N 435.609 5.486 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@H](C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2021498518 WAJGHWUJOHEOIC-MOPGFXCFSA-N 435.609 5.484 30 10 IKEE C=CCCCCCC[C@@H](NC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2026020212 VZORFRSAUNHKRM-ZEQKJWHPSA-N 429.649 5.270 30 10 IKEE CCc1cc(Br)c([C@@H](C#N)N(C[C@H]2CCCO2)C(=O)OC(C)(C)C)s1 2029268426 SJPMCESAMRHWPL-IUODEOHRSA-N 429.380 5.054 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Cl)c(Br)c1F 2035956034 ORWQODLTRRJJDT-CJNGLKHVSA-N 435.765 5.362 30 10 IKEE Cc1cc(Br)sc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 2039289536 DXPWGPCGPGTLBR-AWEZNQCLSA-N 441.778 6.479 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1C[C@@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2048078514 SHNVRWFDRFLSFR-NLFFAJNJSA-N 449.636 6.018 30 10 IKEE C=CCn1c(CSc2nc3ccccc3s2)nnc1SCC=Cc1ccccc1 2053483670 NJHGNCNYKLXGRB-UHFFFAOYSA-N 436.631 6.172 30 10 IKEE Cc1ccc([C@@H](C(C)C)n2nc(C3(C)CC3)c(C#N)c2I)c(F)c1 2079090104 JXVCUNHVMIONOE-MRXNPFEDSA-N 437.300 5.104 30 10 IKEE Fc1c(-c2c(C(F)(F)F)nn(C3CCSCC3)c2Cl)cccc1C(F)(F)F 2080900780 QSDBETCNUVEQOJ-UHFFFAOYSA-N 432.792 6.448 30 10 IKEE CN(C(=O)OC(C)(C)C)C1CCC(Nc2cc(Br)c(C#N)cc2F)CC1 2106041495 BPRWKDHBSXVLFC-UHFFFAOYSA-N 426.330 5.050 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@](C)(O)c1ccc(C)c(Br)c1 2162076752 BOTWYOJTNKQLFU-PKTZIBPZSA-N 432.402 5.106 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](Nc2cc(Br)c(C#N)cc2F)C12CCCC2 2162386602 DOZKSSCQNWLIIN-KRWDZBQOSA-N 438.341 5.194 30 10 IKEE COC[C@]1([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)CC=CCC1 2166535764 YWLVJRSPWPXGOM-RXVVDRJESA-N 435.362 5.456 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc2c(c1)N(c1cc(Br)ccc1C#N)CCC2 2174810721 PMMLMKYXVCODCR-UHFFFAOYSA-N 428.330 5.752 30 10 IKEE CC(C)(C)OC(=O)NC1(CNc2cccc(Br)c2C#N)CCC(F)(F)CC1 2201481082 YZHVRNZHLWAFLQ-UHFFFAOYSA-N 444.320 5.205 30 10 IKEE C=C(C)CC[C@H](NCCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237413499 HFJYZTWMKGQGHA-VQTJNVASSA-N 439.438 5.609 30 10 IKEE CCN[C@@H](C#Cc1ccc(Cl)cc1)c1cc(Br)sc1Br 2239565814 ZZWWEZVDAAONRK-ZDUSSCGKSA-N 433.596 5.629 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Cl)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 2252756644 AYKXEQVDXQGIRX-HSZRJFAPSA-N 441.015 5.887 30 10 IKEE CCCCCCCCCCCCCCCCCCOC(=O)C=Cc1ccc(O)c(O)c1 2293858459 QYVZEPLDLPYECM-UHFFFAOYSA-N 432.645 7.916 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1CC[C@@H](O)C#Cc1cccc(Br)c1 2296233622 ZBCXDQAXMKTBON-YZGWKJHDSA-N 436.390 5.025 30 10 IKEE CCCCc1ccc(-n2cc(C=NNC(N)=S)c(-c3ccc(C(C)(C)C)cc3)n2)cc1 2296403386 KOQUZQSVHWSPBM-UHFFFAOYSA-N 433.625 5.347 30 10 IKEE CCN1C(=O)C(=Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)SC1=Nc1ccccc1 2297458039 KIDYNMCMMLZZCH-UHFFFAOYSA-N 449.488 5.487 30 10 IKEE Cc1ccc2cc3c(nc2c1C)SC(=NCC(C)C)N(Cc1ccc2c(c1)OCO2)C3 2297506798 ZGAOVEPDPBXNOH-UHFFFAOYSA-N 433.577 5.700 30 10 IKEE CC[C@@]1(C)N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2300008226 SCRZKBNEQXJRJU-RPWUZVMVSA-N 435.609 5.628 30 10 IKEE CN[C@@H](C#C[C@@H](OC)C1CCCC1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2303655013 VFNLHRCJYRRGLY-DNQXCXABSA-N 428.617 5.001 30 10 IKEE Cc1cc(C=C2SC(=Nc3ccc(Cl)cc3)NC2=O)c(C)n1-c1ccc(F)cc1 2313560494 VSJGNGMNXPNKFE-UHFFFAOYSA-N 425.916 5.778 30 10 IKEE CCOc1ccc(NC(=O)C(=O)C=Cc2cccc(OCc3ccccc3)c2)cc1OCC 2318788361 IQDPLLDKDNWDJS-UHFFFAOYSA-N 445.515 5.284 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2319203504 KBPFZOFTAZZCRE-XUVXKRRUSA-N 447.551 5.543 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(SCc2c(F)cccc2Cl)nnc1C1CC1 2320919099 VEPJTOCTHMEXLD-UHFFFAOYSA-N 444.963 5.910 30 10 IKEE Cc1ccc(C)c(CSc2nncn2N=Cc2ccc(OC(=O)c3ccccc3)cc2)c1 2321286648 MQZBAFBMVAVMDP-UHFFFAOYSA-N 442.544 5.289 30 10 IKEE Cc1cc(OCc2ccccc2Cl)cc2c1C(=O)C(=Cc1cn(C)c3ccccc13)O2 2321762220 MTRONQQOVMCOON-UHFFFAOYSA-N 429.903 6.335 30 10 IKEE CCOc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2cccs2)C4)cc1 2321968168 MFBIUARBSONPPB-UHFFFAOYSA-N 433.529 5.424 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCC(=O)N(CC)CC)cc1 2322356746 HTZDOUZTCSQWSK-UHFFFAOYSA-N 429.944 5.054 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccncc1)C3=O)CN(C13CC4CC(CC(C4)C1)C3)CO2 2322437114 OAFDKGAUHUMDEZ-UHFFFAOYSA-N 428.532 5.127 30 10 IKEE CCCCOc1ccccc1C=NNc1cnn(-c2cccc(Cl)c2)c(=O)c1Cl 2322607197 GUQDOBQLWBZMRW-UHFFFAOYSA-N 431.323 5.164 30 10 IKEE COc1cccc(C=CC(=O)c2cccc3ccccc23)c1OCC(=O)Nc1nccs1 2322724814 WODCRLIVTPLDSW-UHFFFAOYSA-N 444.512 5.219 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2c(OCc3cccc(F)c3)ccc3ccccc23)c1C 2322842596 JGQFUBDKJYRULI-UHFFFAOYSA-N 438.542 7.688 30 10 IKEE Cc1cc(OC(=O)CCCOc2ccccc2)cc2c1C(=O)C(=Cc1ccccc1Cl)O2 2323177924 KVAREFCZHLZPDU-UHFFFAOYSA-N 448.902 6.029 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc(F)c2)c(Br)c1)c1ccccc1Cl 2323603509 NPDYNPAIKZDIQY-UHFFFAOYSA-N 445.715 6.717 30 10 IKEE CCCOc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(OC)cc2)C3=O)c1 2323831669 PROHFZJCANPHHZ-UHFFFAOYSA-N 444.483 5.628 30 10 IKEE Fc1ccc(-c2csc(NN=Cc3cccc(OCc4ccc(Cl)cc4)c3)n2)cc1 2323854738 UTAQQXIDUQRTLP-UHFFFAOYSA-N 437.927 6.628 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 2323987385 WVVJABOSTMOKTR-HXUWFJFHSA-N 429.516 5.156 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OCc1ccc(Cl)cc1 2324169891 MCCAQJUEIBZYGU-UHFFFAOYSA-N 434.963 7.337 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 2324184615 BDCBWPMEHFXGEF-UHFFFAOYSA-N 437.423 5.226 30 10 IKEE COc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4cc(C)ccc4C)ccc3C2=O)cc1 2324455399 HYMKACMJDJRYCT-GOSISDBHSA-N 443.499 5.334 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2C)C3=O)c1 2324455742 PXAAIIGIKGGPFR-LJQANCHMSA-N 427.500 5.634 30 10 IKEE CC(=O)Nc1ccc(C(=O)COc2ccc3c(c2C)OC(=Cc2cccc(C)c2)C3=O)cc1 2325235400 POMAVHPPYMICAU-UHFFFAOYSA-N 441.483 5.140 30 10 IKEE O=[N+]([O-])c1ccccc1C=Nn1c(CCc2ccccc2)nnc1SCc1ccccc1 2325448371 GGVNIVCYXVNRHA-UHFFFAOYSA-N 443.532 5.146 30 10 IKEE COc1ccccc1C(=O)C=Cc1cccc(OC(=O)C(c2ccccc2)c2ccccc2)c1 2325724089 ARGXBSYWZQVVHE-UHFFFAOYSA-N 448.518 6.329 30 10 IKEE Cc1nc2ccc(C(=O)Oc3cccc(C=CC(=O)c4ccc(F)cc4F)c3)cc2nc1C 2325726029 SYGCMAYGIWJGQG-UHFFFAOYSA-N 444.437 5.640 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)CCCOc3ccc(C)cc3)c2)cc1 2325734808 WFFZUWFRBLCEGT-UHFFFAOYSA-N 444.527 6.054 30 10 IKEE Cc1cc(C(=O)C=Cc2cccc(OC(=O)c3ccc(OCC(C)C)cc3)c2)ccc1F 2325741986 WBBAOWPFOKKVDS-UHFFFAOYSA-N 432.491 6.284 30 10 IKEE CCN(CC)C(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc(Cl)cc1Cl)C2=O 2325743298 FEUKSNPQIACJAU-UHFFFAOYSA-N 434.319 5.165 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1OC(=O)c1cccc(C)c1 2325745932 ITVVLYUVLVXWRV-UHFFFAOYSA-N 428.528 6.416 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cc4ccccc4n3C)c2)cc1Cl 2325769967 BMNSXNUGLDHBCL-UHFFFAOYSA-N 445.902 5.956 30 10 IKEE CCOc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3cc(C)c(OC)cc3C)c2)cc1 2325770902 OFSPMSGVHCUFBL-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(C)c(C)c3)c2)cc1C 2325770904 ONGORLAICWHMMY-UHFFFAOYSA-N 428.528 5.973 30 10 IKEE CCc1ccc(OCCCc2nnc(SC)n2N=Cc2ccc(C(F)(F)F)cc2)cc1 2326287469 VESBXZSLRKMWEK-UHFFFAOYSA-N 448.514 5.475 30 10 IKEE C=CCSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1ccc(Cl)c(Cl)c1 2328568560 FLNVGXDVOQHTMN-UHFFFAOYSA-N 447.391 5.735 30 10 IKEE Cc1cccc(OCc2nnc(SCCc3ccccc3)n2N=Cc2ccco2)c1C 2328849878 XBMAJQKZRLILAP-UHFFFAOYSA-N 432.549 5.284 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc(O)c(OCC)c1 2329100536 KHRANYCQNATMKB-UHFFFAOYSA-N 442.972 5.177 30 10 IKEE C=C(C)CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1ccc(OCCCC)cc1 2330101806 VUHIWVAANMTSDR-FQEVSTJZSA-N 434.609 6.159 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(Cl)cc3)c(Cl)c2)c1 2330778177 RCUKAFBQQSZWBN-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)CCCSC)c(OC)c2)cc1C 2330854851 LSXNFEMKNWHVPQ-UHFFFAOYSA-N 448.968 5.610 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H]3C[C@H]3c3ccccc3Cl)cc2)cc1 2330952969 RVVBAZSLKDMNCB-GOTSBHOMSA-N 432.903 5.954 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3cccc(Cl)c3)cc2OC)c1 2331136424 ZFEDKMBIVSUFKZ-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cncc(C)c3)c(OCC)c2)cc1 2331208282 IVYIALWFRGXETB-UHFFFAOYSA-N 431.488 5.303 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3)cc2Cl)cc1 2331265811 CXINYUXTPFPLJA-UHFFFAOYSA-N 432.947 6.645 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(C=CC(=O)c2ccc(C)cc2)cc1Cl 2331265848 HQIUGPSNIDKAIN-UHFFFAOYSA-N 434.919 6.091 30 10 IKEE COc1ccc(C=Nn2c(CC(C)C)nnc2SCc2ccc(Cl)cc2Cl)cc1 2331471916 RLDWBULYTHRHQR-UHFFFAOYSA-N 449.407 5.967 30 10 IKEE CCCCCOc1ccc(C=Nn2c(CCC)nnc2SCCc2ccccc2)cc1 2331653439 GZHZZKKCVJPSHQ-UHFFFAOYSA-N 436.625 6.017 30 10 IKEE C=CCc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)c1ccncc1 2331780027 NZPIYHPDVROVEO-UHFFFAOYSA-N 441.527 5.859 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(C=CC(=O)c3cc(C(C)(C)C)ccc3C)cc2)c1 2331780468 RVLHVGULUXGNMF-UHFFFAOYSA-N 440.583 6.954 30 10 IKEE CC(C)(C)OC(=O)Nc1ccccc1Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339576891 NDHNRSGBNTZABE-CCEZHUSRSA-N 438.333 5.866 30 10 IKEE CC1(C)OB(C=Cc2ccc(N[C@@H]3CC[C@@H]4CN(Cc5ccccc5)C[C@@H]43)nc2)OC1(C)C 2365066733 YGJVXDPDLMFCEG-TZRRMPRUSA-N 445.416 5.049 30 10 IKEE Cc1nn(Cc2ccccc2)c(C)c1CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2365108208 XDDVBSPCNVDNCA-UHFFFAOYSA-N 444.388 5.200 30 10 IKEE CC(C)CN1C(=O)S/C(=C\c2ccc(OCc3ccccc3C#N)c(Cl)c2)C1=O 16575203 CNIHVUIBTVCRHV-JMIUGGIZSA-N 426.925 5.483 30 10 IKEE O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@H](c1cccc(Cl)c1)n1c(nc3ccccc31)N2 19639400 SMURECQRWXPXIP-NSYGIPOTSA-N 443.909 6.245 30 10 IKEE CCc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2c(F)cccc2Cl)cc1 20882032 VNOVQJKJMGUNPU-MYUZEXMDSA-N 446.953 7.021 30 10 IKEE CCc1ccccc1NC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1 21356087 UGITXKOPXMTIIX-RUZDIDTESA-N 443.572 6.523 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N[C@H](Cc1ccccc1)C(=O)O 28538048 PHZQULSGYVCYNC-RUZDIDTESA-N 431.661 7.060 30 10 IKEE O=[N+]([O-])c1cccc(-c2csc(/N=C(\O)CN[C@H](c3ccccc3)c3ccccn3)n2)c1 29119666 DZQMAIWXHPYXNJ-JOCHJYFZSA-N 445.504 5.081 30 10 IKEE CCOc1cc(/C=C2/Sc3ccccc3C2=O)cc(I)c1OC 33400335 HERMCXVZVCSPNV-MHWRWJLKSA-N 438.286 5.028 30 10 IKEE Cc1ccc(/C=C2/Oc3cc(OCC(=O)c4ccc(Br)cc4)ccc3C2=O)o1 33600351 CJWNMWCWALCZOE-SRZZPIQSSA-N 439.261 5.228 30 10 IKEE CC1(C)CC(=O)C2=C(C1)N=C1N=C(SCc3ccccc3)NN1[C@@H]2/C=C\c1ccccc1 38184158 GYINBIQYDGIHTQ-DZFTYQQFSA-N 442.588 5.191 30 10 IKEE CCCCCCn1c(O)c(C(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)c(C)c(C#N)c1=O 38627033 SOQVXOOOVHQTLM-PBHICJAKSA-N 425.356 5.088 30 10 IKEE C=CCn1c(SCc2ccc(C(=O)Nc3cccc(C)c3)cc2)nnc1-c1cccs1 39850670 AIZKCXBVGHNVJO-UHFFFAOYSA-N 446.601 6.046 30 10 IKEE C=CCc1ccc(OCCn2c(COc3ccc(Cl)cc3)nc3ccccc32)c(OC)c1 40232402 VMKZKZHNYRCRCH-UHFFFAOYSA-N 448.950 6.085 30 10 IKEE C=CCc1ccccc1OCCn1c(CNC(=O)c2cccc(Cl)c2)nc2ccccc21 40278909 WOIBQTGHXLEQDI-UHFFFAOYSA-N 445.950 5.427 30 10 IKEE CC[C@H](C)Oc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(C(C)(C)C)cc2)C3)cc1 59530922 IMQMAGOPMLRRKF-SNYIIPAISA-N 445.603 6.166 30 10 IKEE CCCNC(=O)c1ccc(Cl)cc1NC(=O)/C=C/c1cn(CCC#N)c2ccccc12 59774706 SDPBHQYCNQNTMI-DHZHZOJOSA-N 434.927 5.000 30 10 IKEE C=C(C)COc1ccc([C@]2(CC)Nc3ccccc3C(=O)N2CCc2ccccc2)cc1 66133444 VFANTDQHKJIQPQ-MUUNZHRXSA-N 426.560 6.015 30 10 IKEE CCCCCCCOc1cccc(NC(=O)CNc2ccc(NC(=O)CC(C)C)cc2)c1 100097100 GVMCDOVOZXOZQP-UHFFFAOYSA-N 439.600 6.071 30 10 IKEE CCCCCCCCCCCCCCCCNCc1cccc(OC)c1O[C@@H](C)CC 100125423 AWMPONVCMWOJRK-VWLOTQADSA-N 433.721 8.443 30 10 IKEE CCCCCCCOc1c(Cl)cc(C(=O)Nc2cccc(Cl)c2C)cc1Cl 101138413 KCYWHQJUEMDZSK-UHFFFAOYSA-N 428.787 7.557 30 10 IKEE Cc1ccccc1N/N=C(/C(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccccc1 103852152 NGFRSYJEESVIHS-NHFJDJAPSA-N 426.303 5.591 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S/C1=N/c1ccccc1 105509460 NJFLXUQGAJJPRF-NEHLPSIOSA-N 431.473 5.645 30 10 IKEE Cc1ccc(N/N=C/c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1C 169876822 JMPCWLSKKCDDHD-LXXHRJRASA-N 444.582 7.105 30 10 IKEE CCCCOc1ccc(/C=N\n2c(S)nnc2-c2ccccc2OCC)cc1OCC 169912186 PZGQTMSFUOFILC-JLPGSUDCSA-N 440.569 5.092 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2cccc(C)c2C)cc1 169925004 HCRGKYCGMQJADF-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE Cc1cccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2Cc2ccc(F)cc2)c1 169972612 LDRHCYKHJOJPES-VWLOTQADSA-N 429.491 5.232 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2cccc(C)c2)c1 169972860 LLYRFEBFXKWZRP-XMMPIXPASA-N 445.490 5.230 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(C)c2)cc1 170028353 XIXCBTCEBHUAOH-HSZRJFAPSA-N 431.463 5.316 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(Cl)cc2)cc1C 170059371 NYYWLXSTAZZHCY-JOCHJYFZSA-N 432.907 5.130 30 10 IKEE Cn1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2)c2ccccc21 170084013 RLLKQAIVZFMBOZ-HSZRJFAPSA-N 442.902 5.615 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(O)cc1 170132833 NCCYYPADADMJFF-DEOSSOPVSA-N 441.527 5.781 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1cccs1 170155211 RUGCPTLSUVYVOW-LJQANCHMSA-N 443.883 5.332 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@H]1c1ccccn1 170170112 SUOLNLMRJCQZKP-QHCPKHFHSA-N 442.515 5.107 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCCC)[C@H]2c2ccncc2)cc1 170211135 FSIKRPDUUDQVOZ-QHCPKHFHSA-N 436.552 5.419 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1cccc2ccccc12 170221137 CHNCTSOGLXFRBU-RUZDIDTESA-N 443.543 5.863 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@H]1c1ccc(Cl)cc1 170236066 HHYMRQGROUKSHJ-HXUWFJFHSA-N 448.346 5.771 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccccc2F)c1 170248758 UJEVQQXTGRWGCT-QHCPKHFHSA-N 447.462 5.101 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2F)c1 170251546 AOMYCUJMBHZIFO-HSZRJFAPSA-N 437.511 5.524 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@H]1c1ccc(CC)cc1 170267604 WYGMRZGRLCRHLR-JOCHJYFZSA-N 441.955 5.680 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2C)cc1 170271201 JQYOYZDPFDAQBY-DEOSSOPVSA-N 445.490 5.706 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccco1)c1cc2cc(Cl)ccc2o1 170279863 XWBGSZZJSMRADY-LJQANCHMSA-N 439.876 5.519 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC(C)C)cc3)[C@@H]2c2ccco2)c(C)c1 170289436 DZTASNPTWSODAW-DEOSSOPVSA-N 445.515 5.714 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(Cl)cc(Cl)c2)[C@H]1c1ccc(O)cc1)c1ccco1 170340166 RFJXFAUXQXHERF-SFHVURJKSA-N 430.243 5.075 30 10 IKEE Cc1cccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2Cc2ccccc2OC(C)(C)C)c1 170458067 DYBCYBLIFHJVSC-DEOSSOPVSA-N 435.564 5.683 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(C(C)C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 170467206 PCGBSJDDCAVHSW-RUZDIDTESA-N 433.592 6.623 30 10 IKEE COc1cc(C=Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc([N+](=O)[O-])c1O 254341030 MICRZJVZUUYBEL-UHFFFAOYSA-N 439.427 5.858 30 10 IKEE CC(C)CC(=O)N[C@H](Oc1ccc(C=NNc2ccccc2)cc1)C(Cl)(Cl)Cl 254415899 UYHXWYVNRQDRFM-LJQANCHMSA-N 442.774 5.370 30 10 IKEE Fc1c(F)c(F)c(C=NNc2nc(-c3ccccc3)cc(-c3ccccc3)n2)c(F)c1F 254835187 YVEFTAVSQOUNHO-UHFFFAOYSA-N 440.375 5.952 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(F)cc1Br)NCCC 407003115 WCZQOBAGSIEDTD-RBUKOAKNSA-N 443.401 5.358 30 10 IKEE CCCOc1cccc([C@H]2C(c3cccc(OC)c3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 526490425 WTVGXJBLXIJUJK-VWLOTQADSA-N 440.499 5.413 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(Cl)ccc2O)c1 526774146 YKCSSEJQNKKCQQ-QFIPXVFZSA-N 449.890 5.227 30 10 IKEE Cc1nnc(SCc2ccccc2F)n1/N=C\c1ccc(OCc2ccccc2)cc1 526802398 FWCSQQQPPDZQKN-YSMPRRRNSA-N 432.524 5.479 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1/N=C\c1ccc(Cl)c([N+](=O)[O-])c1 526803528 XXMAVDINKPLVTM-JJFYIABZSA-N 433.896 5.106 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)c1 698416552 ATSHCHNAPYXPNU-KOSHJBKYSA-N 429.561 5.418 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)cc1 698989674 TXBAZYMMZBECNL-OSPHWJPCSA-N 445.560 5.118 30 10 IKEE C=CC[C@H](C)[C@H](NCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 715786519 GTXXBKRJGMDREG-IPELMVKDSA-N 425.411 5.075 30 10 IKEE Cc1ccc2c(c1)C(=O)/C(=C/c1cn(-c3ccc(F)cc3)nc1-c1ccc(Cl)cc1)CO2 725335239 RHCNQQGQSSYCLG-CPNJWEJPSA-N 444.893 6.299 30 10 IKEE CCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CC)C(=Nc3ccc(Cl)cc3)S2)cc1 1084630932 HUDROOWUKYUZRY-IBGZPJMESA-N 445.972 5.109 30 10 IKEE CC(=O)c1cccc(N/C(=N/C[C@@H]2CCC[C@H](CN)C2)NCc2cccc3ccccc23)c1 1088665011 OWGAVBFZXGCTCW-FCHUYYIVSA-N 442.607 5.365 30 10 IKEE N#Cc1ccc(CN(CCc2ccccc2Br)c2ccc3nc(O)[nH]c3c2)cc1 1191779591 ALBJGLUWRWRLGH-UHFFFAOYSA-N 447.336 5.152 30 10 IKEE Cc1ccc(C[C@@H]2SC(=Nc3ccc(C(=O)O)cc3)N(Cc3ccccc3)C2=O)cc1C 1772728022 FQIFODKPHJDACF-QHCPKHFHSA-N 444.556 5.376 30 10 IKEE C=C1/C(=C/C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)[C@H](C)CO)C[C@@H](O)C[C@@H]1O 1848432545 FEVQPNVYQOMSLW-PWYYAPAFSA-N 428.657 5.584 30 10 IKEE COc1ccc(-n2cc(/C=N\NC(=S)Nc3cccc(C)c3)c(-c3ccccc3)n2)cc1 1857808419 BMASSLZVDBPESD-QQXSKIMKSA-N 441.560 5.177 30 10 IKEE N#Cc1cccc(C(=O)Nc2ccc(Cl)c(NC(=O)CCC(=O)c3cccs3)c2)c1 1860460988 ZHLUYRBKXXCWCE-UHFFFAOYSA-N 437.908 5.127 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)CCCOc1ccc(CC)cc1 1861712058 OEHHYNFFWNYZRA-DEOSSOPVSA-N 432.649 5.560 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CCC(C)C)c1 1862379534 DQPUDFBVCLPLNK-HXUWFJFHSA-N 432.347 5.926 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2[C@H](C)CC)c1 1862383504 LIJQJICDQHIIDM-XCLFUZPHSA-N 448.346 5.769 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccc3c(c2)CCCN3C)cc1 1862394948 SOCCPHDGUQARTN-RUZDIDTESA-N 446.591 5.398 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2c(F)cccc2Cl)cc1 1862395872 ALHCCTYUIMNFSL-NRFANRHFSA-N 429.919 5.810 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc3cc[nH]c3c2)cc1C 1862407754 VQPWUICROLNOJT-HSZRJFAPSA-N 432.520 5.109 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(OCC)cc1 1862419558 UFLJCJPQVQJLSE-QFIPXVFZSA-N 443.490 5.522 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@@H]2c2ccc(C)cc2)cc1OCCC 1862426220 QICHYAFGJFFHHR-HSZRJFAPSA-N 437.536 5.171 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(O)cc1 1862430210 FRQNJFXENUCWTL-JOCHJYFZSA-N 441.955 5.984 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2cccc(C)c2)cc1 1862442200 GWHZQABNRHGJJG-XMMPIXPASA-N 445.946 5.778 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2cccs2)cc1 1862493822 YSJKKYJYDPYYIG-HSZRJFAPSA-N 447.556 5.542 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)cc1 1862501718 IWNZHJNXCTZXNI-CFJRQAHESA-N 435.539 5.854 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc(OC)c(O)c2)cc1 1862531716 RVSLPBZDEGPLNB-GANZUKCXSA-N 449.547 5.120 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc(Cl)cc2)cc1 1862536398 XGYREZPEXYBOGB-VZPUWSDOSA-N 437.967 6.059 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccc(Cl)c1)c1ccc2c(c1)CCCC2 1862548567 VKBQMBJILOTATA-QHCPKHFHSA-N 447.918 5.590 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2F)cc1 1862616210 PCBOSUMARZVWDZ-HSZRJFAPSA-N 444.506 5.297 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862620313 POSAEDYVGQKIBQ-KOSHJBKYSA-N 447.619 6.658 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862637262 DUPWBRAQCRVMOU-XMMPIXPASA-N 445.490 5.175 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCC(C)C)cc1O 1862653065 ONDHSTHPXNFVGQ-XMMPIXPASA-N 445.515 5.178 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(Br)cc1 1862657027 SNEBSSWVQOSKEG-OAQYLSRUSA-N 448.316 5.367 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2cc(Cl)cc(Cl)c2)cc1 1862667580 FXBQKUPEVANKBU-FQEVSTJZSA-N 448.346 5.078 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCc2ccc(C)cc2)cc1 1862674066 RXIKYRXBLVJGGX-RUZDIDTESA-N 443.518 5.518 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2Cc2ccccc2)c1 1862713891 ZGVLEVBUUJEQKV-SANMLTNESA-N 433.507 5.927 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862748891 LRSVMKDQPORACH-QHCPKHFHSA-N 448.519 5.458 30 10 IKEE N#Cc1cccc(N2C(=O)C(Nc3cccc4ccccc34)=C(c3ccc(F)cc3)C2=O)c1 1862768743 DEECRZACOMWGJA-UHFFFAOYSA-N 433.442 5.247 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2OCCCC)=C(c2ccc(OC(C)C)cc2)C1=O 1863360039 CBNQRFWMJFRKGX-UHFFFAOYSA-N 434.536 5.031 30 10 IKEE CCCc1nc(Nc2cccc(C#N)c2)cc(N2[C@H](Cc3ccccc3)COCC2(C)C)n1 1868378636 QENVDVKJARBZTK-HSZRJFAPSA-N 441.579 5.271 30 10 IKEE CCCc1nc(Nc2ccc(C#N)cc2)cc(N2CCO[C@H](c3cccc(Cl)c3)C2)n1 1868400691 AJGUHUUXFFMBHJ-NRFANRHFSA-N 433.943 5.276 30 10 IKEE CCCCCCCOc1cn(CCC2=CCCCC2)c(CN2C[C@H](C)C[C@@H](C)C2)cc1=O 1870416877 UFGVXYHTEIUBAB-DNQXCXABSA-N 442.688 6.566 30 10 IKEE C=CCn1cc(OCCCOc2ccc(Cl)cc2)c(=O)cc1CN1C[C@@H](C)C[C@@H](C)C1 1870778528 BQXVFRKIWQJART-BGYRXZFFSA-N 445.003 5.014 30 10 IKEE C=CCOc1cn(CCCCCCCC)c(CNc2ccc(OCCCC)cc2)cc1=O 1870812055 NCJLKNPHAKLXPN-UHFFFAOYSA-N 440.628 6.565 30 10 IKEE C=CCn1cc(OCCC(=O)OCC)c(=O)cc1CNc1cc(C(C)C)cc(C(C)C)c1 1870876668 NHAHKSKFUAGTPL-UHFFFAOYSA-N 440.584 5.225 30 10 IKEE C#CCOc1cn(Cc2ccccc2Cl)c(CNc2ccc(Cl)c(Cl)c2)cc1=O 1871005767 XWAXBMHLVFGSFU-UHFFFAOYSA-N 447.749 5.481 30 10 IKEE C=CCn1cc(OCCc2ccccc2)c(=O)cc1CNc1ccc(Cl)c(Cl)c1 1871141435 SZIRHMSMYBXRAI-UHFFFAOYSA-N 429.347 5.575 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(Cl)c(Cl)c1)O3)CN(CCCN(C)C)CO2 1871346730 TVMWVKYEKHJEOY-JAIQZWGSSA-N 447.362 5.022 30 10 IKEE Cc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2nc3ccccc3[nH]2)C4)cc1 1871349666 WQWFYVYTMITONC-FMCGGJTJSA-N 437.499 5.148 30 10 IKEE CCc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3cccc(C)c3)C4)C2=O)cc1 1871358856 DGKAGRIMYOFSRB-MXAYSNPKSA-N 425.528 5.834 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OC(=O)c4ccc(Cl)cc4[N+](=O)[O-])cc(C)c3C2=O)c1 1871373288 WXNLCKFXGXXXCM-FBHDLOMBSA-N 449.846 5.700 30 10 IKEE Cc1cc(OCC(=O)Nc2ccccc2Cl)cc2c1C(=O)/C(=C/c1cccs1)O2 1871455826 XNZYLRRSKHUBQY-ODLFYWEKSA-N 425.893 5.344 30 10 IKEE C=CCN(CC=C)c1nc(=NCCCCCCCCCC)[nH]c(=Nc2cccc(C)c2)[nH]1 1871650842 KSBHXRKYWMXLBW-UHFFFAOYSA-N 436.648 5.498 30 10 IKEE C=CCN([C@@H](CC)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1ccc(Cl)cc1 1871823373 IXDNMONDNXGUBK-QFIPXVFZSA-N 449.016 5.277 30 10 IKEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(Nc2ccccc2)cc1)S(=O)(=O)CCC 1872145309 NLEJDFHUCXLBLE-HSZRJFAPSA-N 443.613 5.011 30 10 IKEE CC(C)(C)c1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 1872759151 FYYDDYCKNSPESP-RGFVMQALSA-N 431.517 5.905 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(F)c(C)c3)cs2)cc1OC 1872772555 PZMXWPTUMMJHJR-QKYXPGDISA-N 436.508 5.555 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(-n3cccc3)cc2)C(=O)N(CC(C)C)C1=O 1873037214 GBTQTHLOVSPYNU-UHFFFAOYSA-N 449.639 5.944 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H](C)c2ccccc2)=C(c2cccc(OC)c2)C1=O 1873046775 OJFNAXOYPGDFAM-HXUWFJFHSA-N 434.580 5.486 30 10 IKEE CCN1C(=O)C(Nc2ccccc2F)=C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O 1873350182 ACKWCIXHZMTENI-UHFFFAOYSA-N 446.322 5.075 30 10 IKEE C=CCn1c(C(=O)Nc2cc(C(C)C)cc(C(C)C)c2)cc2c(NCCC(C)C)ncnc21 1873611252 QATVXTHHNKCPQL-UHFFFAOYSA-N 447.627 6.574 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(C)c(Cl)c1)n2CC 1873620067 SUFRCMPMOGLCCB-UHFFFAOYSA-N 442.007 6.438 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)cc2C)cc2c(N3C[C@@H](C)C[C@H](C)C3)ncnc21 1873666780 WACIPIAPGFXLRK-HOTGVXAUSA-N 437.975 5.314 30 10 IKEE CSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1c(F)cccc1Cl 1874205486 DHSFWZOOVUYMRX-GZIVZEMBSA-N 445.734 5.561 30 10 IKEE C=CCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccccc1Cl 1874255647 BYASYJRCBVSUPA-ZMOGYAJESA-N 426.973 5.596 30 10 IKEE CCCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccccc1Cl 1874256129 UZFXBPZZAQMWBT-ZMOGYAJESA-N 428.989 5.820 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874287698 SIHYZAJVGTYIMX-XQNSMLJCSA-N 427.574 5.811 30 10 IKEE C=CCSc1nnc(CCc2cccs2)n1/N=C/c1ccc(Br)cc1 1874370988 CBNAPRWFPJAYHY-DEDYPNTBSA-N 433.400 5.048 30 10 IKEE Fc1ccc(Cc2nnc(SCc3ccccc3Cl)n2/N=C/c2ccco2)cc1 1874380141 YMTQDPAPCOQTIF-ZMOGYAJESA-N 426.904 5.429 30 10 IKEE Fc1cccc(Cl)c1/C=N/n1c(SCc2ccccc2)nnc1-c1cccs1 1874422460 NLIUELKKDPNJJF-FSJBWODESA-N 428.945 5.974 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccccc3)n2/N=C/c2ccc([N+](=O)[O-])cc2)c1 1874426508 LVCRELAAXMYJOF-BUVRLJJBSA-N 429.505 5.336 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C(F)(F)F)cc1 1874463335 DQTNEKWKDVWFIP-PGGKNCGUSA-N 428.842 5.572 30 10 IKEE CC(C)Cc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1cccc2ccccc12 1874491252 HOKJNQDFUHTULI-CVKSISIWSA-N 434.996 6.458 30 10 IKEE O=C(CSc1nnc(C2CCC2)n1/N=C/c1cccc2ccccc12)NC1CCCCC1 1874495934 MEVUPNBSGZDIAV-WGOQTCKBSA-N 447.608 5.122 30 10 IKEE CC(C)c1nnc(SCc2ccccc2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874513193 LPOPJHUFTAOVLI-WPWMEQJKSA-N 442.588 6.155 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CC2)c(OC)c1 1874520940 SNKCAOGPFJLCKR-CVKSISIWSA-N 444.560 5.500 30 10 IKEE Cc1ccc(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1 1874579061 UTVHCXOOOKVSOQ-UKTHLTGXSA-N 440.326 6.215 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccccc2OCC(=O)Nc2c(C)cccc2C)c1 1874581029 SJJCJXJPQRMORA-WYMLVPIESA-N 445.515 5.234 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OCC(=O)N[C@H](C)c1ccccc1 1874595556 RLZRQOWOKKFEBI-IYPOZPNPSA-N 449.934 5.501 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OCc1ccccc1 1874603209 PNZUASKPMJEXSV-SAPNQHFASA-N 438.567 6.778 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(F)c3)cc2)cc1OCCC 1874612960 UTOKAGHMLLHNQN-GXDHUFHOSA-N 448.534 6.878 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OCc3ccccc3C)c(OC)c2)cc1F 1874621745 RQTZGGWJZYQUQK-CSKARUKUSA-N 440.898 6.280 30 10 IKEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1 1874626994 HEACXDNWRRMEFI-XDHOZWIPSA-N 429.516 5.622 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCCc3ccccc3)c(Cl)c2)c2ccccc12 1874638122 JJPIRLSGRINOSZ-SDNWHVSQSA-N 442.942 7.019 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1OC(=O)c1ccc(F)cc1 1874693379 BXBYZHWHEZSFLA-MKMNVTDBSA-N 430.475 5.828 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(Br)cc3)c2)cc1 1874694853 XWEFSTHAWOAPDV-XNTDXEJSSA-N 449.344 6.056 30 10 IKEE COc1cccc(C(=O)/C=C/c2cccc(OC(=O)c3ccccc3-c3ccccc3)c2)c1 1874695317 VBUGRVTXTPAVGC-ISLYRVAYSA-N 434.491 6.478 30 10 IKEE O=C(COc1ccc(Cl)cc1)Oc1cccc(/C=C/C(=O)c2ccc(Cl)cc2)c1 1874700708 IQMSWBGELQFHPO-YIXHJXPBSA-N 427.283 5.874 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2)cc1 1874701246 IKFNKHWRTLYDQB-VGOFMYFVSA-N 431.444 5.417 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3cccc(Oc4ccccc4)c3)c2)c1 1874703464 QUXGQCIIBICSOO-WUKNDPDISA-N 448.518 7.211 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OC 1875120371 QSGIFEXDPUHDCZ-NTCAYCPXSA-N 446.499 5.147 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OCC)cc2)cc(OC)c1OC(=O)C(F)(F)F 1875130924 YBQDNJVLKVDYIC-KPKJPENVSA-N 434.410 5.186 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)cc3)c(Cl)c2)cc1F 1875152723 ICUKMKYUYAOOGQ-JXMROGBWSA-N 438.882 5.840 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)cc(OC)c1OC(=O)C1CC1 1875186192 IQGBRUYNSSEUSU-UXBLZVDNSA-N 426.896 5.297 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3)c(OC)c2)cc1C 1875189816 JGBKZQMBEVEWEU-VZUCSPMQSA-N 434.463 5.575 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N1C[C@@H](C)C[C@@H](C)C1)n2CCCC 1875213485 ZEYYWQRSEVVCSC-OYRHEFFESA-N 441.664 6.122 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)[C@@H](CC(C)C)CC(F)(F)F)ccc21 1890140924 HXSJYIQALPBWFC-HNNXBMFYSA-N 426.479 5.177 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](O)c1cc(Br)c(Cl)s1 1922078277 VLVHRMBJKWQCAU-QZTJIDSGSA-N 444.822 5.339 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)C(C)(C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1922091969 OKJUPOBEHMVZPA-BJKOFHAPSA-N 444.660 5.801 30 10 IKEE C=C(COCc1ccccc1)C(=O)[C@H](O)c1ccc(-c2ccc(Br)cc2)o1 1922097413 APCGYJCNELOIBS-JOCHJYFZSA-N 427.294 5.085 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CN(C(=O)OC(C)(C)C)[C@H]2CCC[C@H]21 1926544193 ZUDULGCZQQQAMZ-KNOQFWTLSA-N 441.572 5.418 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@H](C#N)[C@H]1CCCCN1C(=O)OC(C)(C)C 1944736208 KVQWFUZFDOMBKV-RTBURBONSA-N 433.524 5.249 30 10 IKEE CCCCCCCCC[C@H](NCC)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1946541502 QVTYWNZEPADIDB-ZEQRLZLVSA-N 434.665 6.215 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(C)sc(C)c1Br 2027395948 SCXXGLKNVWDHTM-YOEHRIQHSA-N 431.440 5.638 30 10 IKEE CC1(C)C[C@H]([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)N(C(=O)OC(C)(C)C)C1 2033721715 AAEAGXNEOGWXDH-RTBURBONSA-N 447.551 5.495 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2c(Cl)cccc2Cl)o1 2033813491 CBOIWPVZHRZDDY-GOSISDBHSA-N 448.327 5.735 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)CC1CCN(C(=O)OC(C)(C)C)CC1 2045574377 GIWFRIQRSZEXLU-FQEVSTJZSA-N 443.588 5.666 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)c(C)c(Br)c1)NC 2048642620 KMNHEONIWLJBDT-IAGOWNOFSA-N 431.802 5.011 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@]1(C#N)C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 2070327481 LIQWKUZBJXOPJM-SURPGJSWSA-N 436.527 5.845 30 10 IKEE Cc1ccc([C@H](n2nc(C(F)(F)F)c(/C=N/O)c2Br)C(C)(C)C)cc1C 2079004901 FBLUIEKAHGEIQN-RRDOOKONSA-N 432.284 5.725 30 10 IKEE N#Cc1c(C(F)F)nn([C@H](c2ccc(C(F)(F)F)cc2)C2CCC2)c1Br 2079927114 MHZVGDXANCWORF-AWEZNQCLSA-N 434.206 5.863 30 10 IKEE CC1(c2nn([C@@H](c3ccc(C(F)(F)F)cc3F)C(C)(C)C)c(Cl)c2C=NO)CC1 2079943891 IQFNJRHBXAHRIS-INIZCTEOSA-N 431.861 6.190 30 10 IKEE CC[C@@]1(C)CCSC(=Nc2ccc(Cl)c(I)c2Cl)N1 2093950142 ACQKTNKOHXSDLE-ZDUSSCGKSA-N 429.154 5.481 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Br)c1Cl)NCC 2110495448 PWEXUUAPZOBMIN-DLBZAZTESA-N 445.829 5.483 30 10 IKEE C[C@H]1CCC[C@@]2(CSC(=NCc3scc(Br)c3Br)N2)C1 2150563597 QZDMMYYAEKFZLQ-XPTSAGLGSA-N 438.254 5.414 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCC(Nc3cccc(Br)c3C#N)CC2)C1 2162305156 ZAPFMTZBKNEESV-UHFFFAOYSA-N 434.378 5.302 30 10 IKEE CC(C)CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(C#N)c(Br)c1 2174808473 OQWXGOKDZHVXNI-GOSISDBHSA-N 436.394 5.183 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)C1(CCC)CC(NC(=O)OC(C)(C)C)C1 2213249183 TWYHAYDQJVXPLT-VVCJCJSVSA-N 430.633 5.601 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C(=O)C#Cc2ccccc2Br)(C(C)(C)C)C1 2235728678 HVIOAKNPPNARLP-JOCHJYFZSA-N 434.374 5.043 30 10 IKEE C[C@H](NC(=O)OC(C)(C)C)c1ccc([C@@H](N)C#Cc2ccccc2Br)cc1 2235749969 PUSVRMSRLNVOHQ-YWZLYKJASA-N 429.358 5.086 30 10 IKEE Cc1cccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2241478351 COCWHWVXBVVPGQ-UHFFFAOYSA-N 441.380 5.137 30 10 IKEE Cc1c(Br)sc([C@@H](C#N)N(C[C@H]2CCCO2)C(=O)OC(C)(C)C)c1C 2254664414 HNAXEKNSKPBCKT-ZIAGYGMSSA-N 429.380 5.108 30 10 IKEE Cc1cc(C=C2SC(=Nc3cccc(Cl)c3Cl)NC2=O)c(C)n1-c1ccncc1 2294025425 WRVPWMXNOSRJTO-UHFFFAOYSA-N 443.359 5.688 30 10 IKEE CCN1C(=C2SC(=Nc3ccccc3)N(C3CCCCC3)C2=O)Sc2ccccc21 2295172635 OKJDGXVIQVUENO-UHFFFAOYSA-N 435.618 6.384 30 10 IKEE CC(C)(C)OC(=O)NC1(CC[C@@H](N)C#Cc2ccc(Br)cc2)CCCCC1 2296306787 LTMPEMRWOOBACW-IBGZPJMESA-N 435.406 5.136 30 10 IKEE COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC=Cc3ccccc3)n2)cc1 2296598809 PGJMISBOGDTTCK-UHFFFAOYSA-N 426.463 6.453 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)c4ccccc4Cl)ccc3C2=O)c(OC)c1 2296866167 ZVQLILDKBSPAFO-UHFFFAOYSA-N 436.847 5.193 30 10 IKEE COc1ccccc1C=CC=C1Oc2cc(OC(=O)c3ccccc3OC)ccc2C1=O 2296867897 DYFAMJYCPFBQRT-UHFFFAOYSA-N 428.440 5.095 30 10 IKEE COc1ccc(C=NCC[C@H](c2ccccc2OC)[C@@H]2CCOC(C)(C)C2)cc1OC 2297681096 ODWKEQAUZHUXKA-RTWAWAEBSA-N 425.569 5.510 30 10 IKEE CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 2299174750 TZIZPOOLTOPRJQ-QZTJIDSGSA-N 449.979 5.619 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2302797148 XYKRJTGVWUJOKC-ZCNNSNEGSA-N 435.609 5.532 30 10 IKEE Cc1ccc(-n2c(C)cc(C=C3SC(=NCc4cc(C)cc(C)c4)NC3=O)c2C)cc1 2313511175 RSRZKZHJFFGQSI-UHFFFAOYSA-N 429.589 5.780 30 10 IKEE COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2SC(=Nc3ccccc3C)NC2=O)o1 2313514064 SYTOYJVWRJGTDP-UHFFFAOYSA-N 435.461 5.063 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=Nc1ccc(C)cc1 2314490079 XVKXKOXASBFXHT-UHFFFAOYSA-N 445.500 5.953 30 10 IKEE Cc1ccc(C)c(N=C2NC(=O)C(=Cc3cccc(OCc4ccc(Cl)cc4)c3)S2)c1 2314557686 YJVRYIMJXKQGPL-UHFFFAOYSA-N 448.975 6.427 30 10 IKEE COc1cc(C=NNc2ccc(C)c(Cl)c2)ccc1OCc1ccc(Cl)c(Cl)c1 2318413479 HQKFPQOKNPUROH-UHFFFAOYSA-N 449.765 6.989 30 10 IKEE CCOc1cc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C2CC2)ccc1O 2320922922 YQHWJCKSYNOFQC-UHFFFAOYSA-N 446.935 5.227 30 10 IKEE Sc1nnc(-c2ccco2)n1N=Cc1cccc(OCc2c(Cl)cccc2Cl)c1 2321911988 LCRCTNGTCJWNSQ-UHFFFAOYSA-N 445.331 5.595 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=CC=Cc1ccccc1)O3)CN(C1CCCCCCC1)CO2 2322183750 JWLQGFBCYHYCQR-UHFFFAOYSA-N 429.560 6.432 30 10 IKEE CCCOC(=O)COc1ccc(Br)cc1C=CC(=O)c1cccc(Cl)c1 2322515078 MFTZAPKXLYAMSS-UHFFFAOYSA-N 437.717 5.331 30 10 IKEE CCn1cc(C=C2Oc3cc(OC(=O)C(C)(C)C)cc(C)c3C2=O)c2cc(OC)ccc21 2322649137 AVULBGQIPLOFRA-UHFFFAOYSA-N 433.504 5.546 30 10 IKEE COc1cc(Br)cc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)c1OC 2322830509 HBMNTHJHKIAQEK-UHFFFAOYSA-N 446.124 5.678 30 10 IKEE COc1cccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)c1OCC(=O)Nc1ccccc1 2322845560 HRFWOWOOYIAVQS-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2cccc(C)c2C)c(OC)c1 2322904146 DVMQKCCGUCJPPG-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C)cc2)C3=O)cc1OC 2323069120 ZUAOFXTUTHCSMZ-UHFFFAOYSA-N 442.467 5.247 30 10 IKEE Cc1c(OC(=O)C=Cc2ccco2)ccc2c1OC(=Cc1ccc(Cl)cc1Cl)C2=O 2323168689 SYRSTHDFBWJORZ-UHFFFAOYSA-N 441.266 6.130 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2F)C3=O)CC1 2323652417 OEESCHKSYLPLFQ-UHFFFAOYSA-N 436.523 6.652 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OCc1nc(O)c2ccccc2n1 2323802722 FHBAOTHSTUKVRQ-UHFFFAOYSA-N 446.890 5.473 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1c(C)cccc1C 2323914991 PTAANGMZGKCFEA-UHFFFAOYSA-N 443.543 5.924 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OCC(=O)Nc1ccccc1 2324151893 BEPGMRAGVBVUDF-UHFFFAOYSA-N 437.495 5.762 30 10 IKEE CCN(CC)C(=O)COc1ccc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1Cl 2324304973 FCCHODUFJDXUIQ-UHFFFAOYSA-N 429.944 5.109 30 10 IKEE N#C[C@H](C(=O)C=Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2cccs2)cs1 2324589001 OLFSHJYVECENGS-OAQYLSRUSA-N 442.565 6.340 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3cc(Cl)ccc3OC)cc2)o1 2324693897 WRAPBKCAEYHKDR-UHFFFAOYSA-N 440.879 5.593 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2sccc2C)C3=O)c(C)c1 2324893421 YOIHJUKMBWFYSQ-UHFFFAOYSA-N 433.529 5.615 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O)Nc1ccc2ccccc2c1 2324954793 ANKQSDQNSHFBEL-UHFFFAOYSA-N 439.442 5.613 30 10 IKEE CC(C)(C)[C@H](CS)COCc1ccc(I)c(Br)c1 2325382040 QGENLZDSBRIKKR-NSHDSACASA-N 443.188 5.162 30 10 IKEE CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1c(OC)ccc2ccccc12 2325589558 HHSBUBUJZFJVIF-UHFFFAOYSA-N 447.520 5.085 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc([N+](=O)[O-])cc1 2325593021 QFFRVCVXXCFGBO-UHFFFAOYSA-N 436.324 5.230 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)[C@@H](C)c3ccccc3)c2)cc1 2325710744 QQLXOLSTJUBDPU-NRFANRHFSA-N 442.555 6.643 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)CC)c2)cc1OCCC 2325726711 UMEOARLFUQNWCV-UHFFFAOYSA-N 426.509 5.484 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1OC(=O)CCCOc1ccccc1C 2325750909 OQYJENKSLPSPIP-UHFFFAOYSA-N 448.490 5.803 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC)c3ccccc23)cc1OC(=O)c1ccco1 2325775387 XCTNHNGOKVBBLY-UHFFFAOYSA-N 428.440 5.565 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCC(=C)C)n1N=Cc1sccc1C 2326460715 JGRSZRAGHHHULB-UHFFFAOYSA-N 440.594 5.342 30 10 IKEE CCCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccccc1Cl 2327300239 UZFXBPZZAQMWBT-UHFFFAOYSA-N 428.989 5.820 30 10 IKEE CCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1cccc(OC)c1OC 2327744232 SBRRSXIGANHVED-UHFFFAOYSA-N 432.549 5.034 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3)n2N=Cc2ccccc2O)cc1C 2328945579 YRRSGMMJRVFVKZ-UHFFFAOYSA-N 442.588 5.560 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OC)cc2)n1N=Cc1ccccc1OC(C)C 2329271649 VYIOYFLVPRBOKE-UHFFFAOYSA-N 436.581 5.215 30 10 IKEE Fc1cccc(CSc2nnc(COCc3ccccc3)n2N=Cc2ccccc2)c1 2329320656 LLUKGOMTEAZVDC-UHFFFAOYSA-N 432.524 5.309 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3C)n2N=Cc2ccccc2)c1 2329477584 LSEOJMMEUZTQKO-UHFFFAOYSA-N 426.589 5.855 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(F)cc1 2330078399 YCOQTUSRCRTTPN-QGZVFWFLSA-N 434.515 5.883 30 10 IKEE O=C(O)c1ccccc1C=Nn1c(CC2CCCCC2)nnc1SCc1ccccc1 2330270033 LJWNOHDLFSOOMA-UHFFFAOYSA-N 434.565 5.274 30 10 IKEE C=CCSc1nnc(-c2ccco2)n1N=Cc1ccc(OCCCCC)c(OCC)c1 2331215936 YHSWHWMEILBOIY-UHFFFAOYSA-N 440.569 5.666 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)Cc1ccc(Cl)cc1 2331232869 SHUCOPBIEMQSFW-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE CC(C)(C)C(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1Br 2331399690 NJFZJGPHXRQPQN-UHFFFAOYSA-N 445.309 5.068 30 10 IKEE COc1ccc(C=Nn2c(CC(C)C)nnc2SCc2c(F)cccc2Cl)cc1 2331477278 DSNLOFJNDUZWGO-UHFFFAOYSA-N 432.952 5.452 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)c3ccccc3)c([N+](=O)[O-])c2)cc1 2331498471 UMUBJURYHYJROY-IBGZPJMESA-N 443.499 6.323 30 10 IKEE C=CCSc1nnc(CCC)n1N=Cc1ccc(OCc2ccc(C)cc2)c(OC)c1 2331657412 DCXSKTWCUWXFQD-UHFFFAOYSA-N 436.581 5.287 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1N=Cc1ccc(CC)cc1 2331665207 GAWFAKASNCIWNG-UHFFFAOYSA-N 435.597 5.023 30 10 IKEE COc1cc(C(=O)C=Cc2ccc(OC(=O)C3CCC3)c(Cl)c2)c(OC)cc1Cl 2331689782 BRWBGCHSNMMBLU-UHFFFAOYSA-N 435.303 5.612 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc2c(c1)OCCO2 2331706632 CUMNCZDXWSHMQO-UHFFFAOYSA-N 428.945 5.001 30 10 IKEE C=CCC1([C@@H](NC)c2cc(Cl)cc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2337103378 JFUNPOJPVKRWCO-INIZCTEOSA-N 447.776 5.315 30 10 IKEE N#C[C@@]1(Cc2ccc(I)c(Br)c2)CCCCC12CC2 2349878816 VWJNGPLYGSTRAN-INIZCTEOSA-N 430.127 5.460 30 10 IKEE Cc1cc(NC(=O)OC(C)(C)C)ccc1Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N 2364734211 MYBAGYHENDBFMH-UHFFFAOYSA-N 449.360 5.257 30 10 IKEE CCCCCCCC[C@H](OCCN)c1sc(Cl)cc1I 2366649274 ZVKXZHUKMRGJCW-ZDUSSCGKSA-N 429.795 5.773 30 10 IKEE CCCCCCCCNC(=O)c1cnn2c(C)c(Cc3ccccc3Cl)c(C)nc12 3033379 AHSOHTDAMNXUGB-UHFFFAOYSA-N 426.992 5.681 30 10 IKEE C=CCn1c(CC)nnc1SCC(=O)Nc1ccccc1SCc1ccc(F)cc1 20425604 NJQROLUTWFHOGR-UHFFFAOYSA-N 442.585 5.189 30 10 IKEE C/C(=N\Nc1nc(SCCC(=O)Nc2cccc(C)c2)n[nH]1)c1ccc2ccccc2c1 21082253 UFHPWABRZSCARV-WPWMEQJKSA-N 444.564 5.223 30 10 IKEE CCCOc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(C(C)(C)C)cc1)C2 21230755 ONJAKPVGGPUSAV-SIKLNZKXSA-N 431.576 5.777 30 10 IKEE CCn1nc(C)c(CN/C(=N/C(=O)c2cc(C)cc(C)c2)Nc2cc(C)ccc2C)c1C 32972027 WJZRYPURRBCPAQ-UHFFFAOYSA-N 431.584 5.152 30 10 IKEE COc1ccc(C)cc1NC(=O)[C@@]12CC[C@@](C)(/C(=N\OC(=O)c3ccccc3)C1)C2(C)C 38288217 LCOKRTNKXAJJOQ-WWKOQGKZSA-N 434.536 5.372 30 10 IKEE C[C@H](CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(=O)O 65735166 QOEPZHFZXUROGV-BXDHRDAUSA-N 430.629 5.632 30 10 IKEE in-vitro Cc1cccc(N/C(=N\C(=O)c2ccc(Cl)cc2)NCCc2c[nH]c3ccccc23)c1 66437602 UYRZMXBDNRPXEX-UHFFFAOYSA-N 430.939 5.570 30 10 IKEE O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)c1ccc(F)cc1 96022265 JQBLNSVBPHSPCQ-GDNBJRDFSA-N 447.307 6.337 30 10 IKEE Cc1cccc(-c2nc3sc4c(c3c(=O)n2Cc2cccc(C#N)c2)CC[C@@H](C)C4)c1 96531462 SCGZOMZPYYYVEE-QGZVFWFLSA-N 425.557 5.478 30 10 IKEE CCCCCCCCCCCCCCCCNCC(=O)Nc1cc(OC)ccc1OC 100055512 DKGJQQIXBWXXMR-UHFFFAOYSA-N 434.665 6.713 30 10 IKEE CCCCCCCOc1ccc(NC(=S)NC(=O)/C=C/c2cccc3ccccc23)cc1 100155555 QHUHEWOTESQLES-XMHGGMMESA-N 446.616 6.715 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)[C@H](C)Oc1ccc(C(C)C)cc1 100159296 TVXKRMWLBVGDGE-VWLOTQADSA-N 431.705 8.175 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1ccc(C(=O)OCC)cc1 100443367 YUWDAGRKQMRWQJ-UHFFFAOYSA-N 434.646 6.377 30 10 IKEE C=CCN1C(=O)/C(=C/c2c[nH]c3ccccc23)S/C1=N/c1nc(-c2ccccc2)cs1 101130528 ZCAJPDQMZRYJHP-DHEUOCGHSA-N 442.569 6.081 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N[C@@H](C(=O)O)[C@H](O)c1ccccc1 106114279 SFRQXDVWVNVHCW-CLJLJLNGSA-N 447.660 6.551 30 10 IKEE N#C[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccc(F)cc1F 111219371 LQFCIXNIXPZPIL-KRWDZBQOSA-N 436.245 5.240 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccc(O)cc1)c1cc2ccccc2o1 169961307 NXUCOYUFARQVMT-QFIPXVFZSA-N 445.858 5.575 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(OCC)c1 169974468 DQTQCGKVZHSWMN-NRFANRHFSA-N 443.927 5.213 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2cccnc2)c1 170013156 IOSZWCUMXNXWKU-OAQYLSRUSA-N 441.512 5.091 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2C2CCCC2)cc1 170033832 VGSHBUDZNRVFBY-DEOSSOPVSA-N 433.548 5.613 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(O)c(Cl)c1)c1ccc(Cl)cc1 170042184 PJUAZLIFDMJADB-HXUWFJFHSA-N 446.330 5.610 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccc(F)cc2)cc1C 170062613 LSQBADDEHJGMNW-RUZDIDTESA-N 429.491 5.544 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)o1 170101065 RXNXGZUNUDMXTP-IBGZPJMESA-N 429.806 5.303 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccccn2)cc1C 170172151 VSRUWRZGVGIYJI-RUZDIDTESA-N 434.495 5.635 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2cccnc2)cc1 170188975 FRNALMKZABTMAL-JOCHJYFZSA-N 448.906 5.305 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccc2)cc1 170224076 PEZQTDBNNMFPBL-DEOSSOPVSA-N 427.500 5.567 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2)c1 170231374 CDQUESNVJICHEF-QFIPXVFZSA-N 439.939 5.650 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2C)cc1C 170272563 VGKFBUKGXCBINI-XMMPIXPASA-N 427.500 5.403 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccco2)c1 170285858 ZRQJRPQCAOKQIA-HSZRJFAPSA-N 431.488 5.468 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2ccco2)cc1C 170288067 AVHUKOFHPZGBSU-QHCPKHFHSA-N 447.487 5.168 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccc(OCC(C)C)cc2)c1 170461413 HBMRWZKNLNNAFC-DEOSSOPVSA-N 445.515 5.401 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2nc3ccc(C(C)C)cc3s2)c1 170462466 VSJDSMUGTWQTGS-HSZRJFAPSA-N 448.588 6.243 30 10 IKEE CCOc1cc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cccc(Cl)c2C)ccc1O 170464217 LETKEUCLLZYQQF-FQEVSTJZSA-N 443.927 5.268 30 10 IKEE CC(C)Oc1cccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2CCc2ccc(F)cc2)c1 170475798 XLYAFUKYEDQRDI-JOCHJYFZSA-N 439.527 5.166 30 10 IKEE O=C1c2ccccc2-c2cc(/C(=N/C3CCCCC3)c3ccccc3)c(O)c3cccc1c23 198534642 IZZRFLYSTHDSDG-CCFHIKDMSA-N 431.535 6.927 30 10 IKEE N#Cc1cc(Br)ccc1Nc1ccc(Br)cc1Br 229169355 YNJTUCKQZPPDIP-UHFFFAOYSA-N 430.925 5.589 30 10 IKEE COc1cc(C=Nc2ccc(Cl)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 252592770 BGZCUHUTJGQSQM-UHFFFAOYSA-N 427.800 5.708 30 10 IKEE CCCCCCCNC(=O)c1c(N)n(N=Cc2ccc(C)cc2)c2nc3ccccc3nc12 254289789 JYGFHRSPNHBRBT-UHFFFAOYSA-N 442.567 5.058 30 10 IKEE COc1ccc(-c2csc(N3N=C(C)C(=NNc4ccc5ccccc5c4)C3=O)n2)cc1 254730578 VAHYLJQLCQRQAH-UHFFFAOYSA-N 441.516 5.163 30 10 IKEE COc1ccc(Nc2ccc(N=C3C=C(c4ccccc4)[C@@](O)(c4ccccc4)C3)cc2)cc1 254753983 XNTQEFLKIURNSJ-PMERELPUSA-N 446.550 6.886 30 10 IKEE CCCCN(CCCC)CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=Nc1ccccc1 256476967 VZCYVBBKKJLBOR-WQEQDZDKSA-N 447.648 6.707 30 10 IKEE N#CC1(c2ccc(OCc3ccccc3)cc2)CCN(C(=O)OCc2ccccc2)CC1 383407680 CALNIFRKBIUQHX-UHFFFAOYSA-N 426.516 5.460 30 10 IKEE Cc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(Br)cc2)cc1 526489721 BWRHLDAZUOTHQH-QFIPXVFZSA-N 445.316 5.686 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)c(Cl)c3)[C@@H]2c2ccc(O)cc2)cc1 526491623 WOJGKYOQHCVMOG-NRFANRHFSA-N 437.282 5.628 30 10 IKEE CCOc1cccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccc(C)cc2)c1 526806150 YWPZPWXIPDCNRO-IMRQLAEWSA-N 442.588 5.751 30 10 IKEE N#Cc1ccccc1NC(=O)Nc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c1 586730976 AFWMHLHSFSDXSW-UHFFFAOYSA-N 439.519 5.445 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698912882 WMMCQVVPCCNRAS-UUOWRZLLSA-N 435.609 5.486 30 10 IKEE C[C@H]1c2ccccc2C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 698963246 HOCVZCGGTKOYED-NYHFZMIOSA-N 427.342 5.813 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 724090236 QRRQYOSYAWMJBY-MZNJEOGPSA-N 447.551 5.544 30 10 IKEE Cc1cc(C(=O)Oc2cccc3c(NC(=O)c4cccc(C#N)c4)cccc23)ccc1N(C)C 1858929787 CDOLNRJVVOZFMS-UHFFFAOYSA-N 449.510 5.557 30 10 IKEE N#Cc1cnn(-c2ccc3ccccc3n2)c1NC(=O)c1ccc(OCc2ccccc2)cc1 1859484827 HTNCYOCPWDYLJH-UHFFFAOYSA-N 445.482 5.123 30 10 IKEE COc1cc(/C=C/C(=O)C(=O)Nc2cccc(SC)c2)ccc1OCc1ccccc1 1860728471 OCDVRLOALUUSHE-ACCUITESSA-N 433.529 5.217 30 10 IKEE CCc1ccc(NC(C)=O)cc1NC(=O)C(=O)/C=C/c1cccc(OCc2ccccc2)c1 1860729979 VPAHKGUUVHLUKA-NTCAYCPXSA-N 442.515 5.007 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](C)NC(=O)c1c(Cl)ccc(Cl)c1OC 1861141917 QMKAAKIKTMSCAM-HNNXBMFYSA-N 431.404 5.377 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCC)NC(=O)COc1cc(Cl)ccc1Cl 1861651379 VSOIBCMRYRGGJU-GOSISDBHSA-N 431.404 5.134 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1cccc2ccccc12 1862405240 NKJVOVZYJKDMEA-OSPHWJPCSA-N 429.516 5.534 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@@H]2c2ccccc2F)cc1 1862430513 LYYKNVSLQUSTIW-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(OC)c(OC)c1 1862437103 JLYBGWHVXQILSK-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCc2ccccc2)cc1 1862441276 DJCWRVPEFDFMDQ-HSZRJFAPSA-N 431.919 5.469 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1CCCc1ccccc1 1862443770 SOADXIZMRVCYRP-DEOSSOPVSA-N 445.946 5.860 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccccc2C)c1 1862489394 AVNVOELWZLTVTD-VWLOTQADSA-N 431.576 6.303 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cccc(OC)c1 1862548747 ZIDDJOWCNTWXKM-VWLOTQADSA-N 447.575 5.733 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 1862619009 LXACQBCANYIGLY-OAQYLSRUSA-N 436.508 5.271 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C(C)C)cc3)[C@@H]2c2ccccc2F)c1 1862660987 AOKNHDGQHIMAIJ-VWLOTQADSA-N 443.518 6.036 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccccc1C(=O)O 1862664141 FLYAXLWDQORRMV-QHCPKHFHSA-N 449.547 5.667 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2cccc(C)c2)cc1 1862687098 GNQKEDHWDPICQV-DEOSSOPVSA-N 427.500 5.091 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(Cl)cc2)cc1 1862689447 QTUMTMTWEAGALJ-QFIPXVFZSA-N 439.939 5.650 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1ccc(Br)cc1)c1ccc2ccccc2c1 1862719995 VMASTMNJSLCDGE-OAQYLSRUSA-N 448.316 5.343 30 10 IKEE C=CCN1C(=O)C(NCCCCCCCCCC)=C(c2ccc(OCCC)cc2)C1=O 1863683200 CTGLKEJDUGYGBP-UHFFFAOYSA-N 426.601 5.472 30 10 IKEE Cc1ccc(-c2ccc(C(=O)Nc3scc(C(C)(C)C)c3C#N)c(C(F)(F)F)n2)cc1 1865784622 QTXWVASUEWIXOT-UHFFFAOYSA-N 443.494 6.559 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2F)c(=O)cc1CN(CCC)CCC 1870341886 HXALYWRTYIGHQS-UHFFFAOYSA-N 444.635 6.549 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)OC)c(=O)cc1CN(CCC)CCC 1870448810 PEYOVULTOOVZTH-UHFFFAOYSA-N 436.637 5.163 30 10 IKEE CCCCCCCOc1cn(CCC(C)C)c(CNc2ccc(NC(C)=O)cc2)cc1=O 1870833217 DBSMHWXLZPWNEU-UHFFFAOYSA-N 441.616 5.814 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2F)c(CNc2cccc(F)c2)cc1=O 1870838787 UIRDMRMOALZDCG-UHFFFAOYSA-N 440.534 6.136 30 10 IKEE CCCCCCCCn1cc(OC)c(=O)cc1CNc1ccc(N2CCCCC2)cc1 1870997011 FSGVSBYXCRXOGB-UHFFFAOYSA-N 425.617 5.820 30 10 IKEE CCCCCCCCCCn1cc(OCCC)c(=O)cc1CNc1ccc(CC)cc1 1871106126 KANSQZDMTGPFAN-UHFFFAOYSA-N 426.645 6.952 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)cc2Cl)c(=O)cc1CNc1cccc(Cl)c1 1871249267 OBGNEYMFJVZKGC-UHFFFAOYSA-N 449.765 6.186 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccccc1F)O3)CN(CCc1ccc(F)cc1)CO2 1871344830 YNGNPRRQSWWVKC-QRVIBDJDSA-N 433.454 5.284 30 10 IKEE Cc1cc(C)cc(OCCN2COc3cc(C)c4c(c3C2)O/C(=C\c2ccc(C)o2)C4=O)c1 1871347439 YJFHYKOGRDFPCV-CFRMEGHHSA-N 445.515 5.360 30 10 IKEE CCCCC[C@H](CC)N1COc2cc(C)c3c(c2C1)O/C(=C\c1ccccc1OCC)C3=O 1871347749 TUNYUNFSLLKROX-QAEYNFOBSA-N 449.591 6.521 30 10 IKEE COc1ccc([C@@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2ccc(F)cc2)C4=O)cc1 1871353967 CJXAPEMKQFCYDX-ACMDDDSKSA-N 431.463 5.364 30 10 IKEE Cc1cc(OC(=O)/C=C/c2ccc(F)cc2)cc2c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O2 1871366037 OZQKFFGHFRQDHU-AGWINUGJSA-N 445.402 5.277 30 10 IKEE Cc1c(OC(=O)c2ccc(Cl)c(Cl)c2)ccc2c1O/C(=C\c1ccncc1)C2=O 1871372159 CEWXBZUUNXXRBR-GRSHGNNSSA-N 426.255 5.532 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(-c4cc(F)c(F)c(F)c4)noc3c2)c1 1871389139 VMEFLYPXWSOLKK-UHFFFAOYSA-N 425.362 5.696 30 10 IKEE Cc1ccccc1OCCCCOc1ccc2c(c1C)O/C(=C\C=C\c1ccccc1)C2=O 1871404745 PPLSUYUVAJDMRK-UPCPTFCSSA-N 440.539 6.714 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccccc2F)C3=O)c1 1871410906 CODHDFFQFZJPPK-YNJLWJOVSA-N 445.490 5.773 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccccc2C)C3=O)cc1 1871412021 UEFLIQOTNQZIRX-LIAPLOTISA-N 441.527 5.888 30 10 IKEE Cc1cc(OCc2ccc(C#N)cc2)cc2c1C(=O)/C(=C/c1ccc(Cl)cc1Cl)O2 1871417867 UIWIBYPGRDFSNL-AFPJDJCSSA-N 436.294 6.369 30 10 IKEE COc1cc(Cl)c(C)cc1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O 1871417989 IDTCIOSXDVPMPF-KSEXSDGBSA-N 449.890 5.291 30 10 IKEE CC(C)=C1Oc2cc(OCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)cc(C)c2C1=O 1871428334 VUUAZUGUGJUNLP-UHFFFAOYSA-N 439.817 5.554 30 10 IKEE Cc1cc(OCCC(=O)OCCC(C)C)cc2c1C(=O)/C(=C/c1cn(C)c3ccccc13)O2 1871429596 TZMOJJVBIVTYQO-OYKKKHCWSA-N 447.531 5.461 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[C@@H](C)CC)S(=O)(=O)CCCC 1871825789 MADKVXMKNINDAW-LPHOPBHVSA-N 448.551 5.067 30 10 IKEE C=CCN([C@H](C(=O)Nc1cccc(Cl)c1)C(C)C)S(=O)(=O)c1c(C)cc(C)cc1C 1872225338 TZCGAFVTLNYNDF-NRFANRHFSA-N 449.016 5.105 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cccc(C)c1)c1ccccc1)S(=O)(=O)c1cccs1 1872252954 AVISBZKMQQWRLT-JOCHJYFZSA-N 440.590 5.003 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cc(Cl)ccc1C)[C@H](C)CC)S(=O)(=O)CCCC 1872472025 KXFSTPLVLUMVOE-UZLBHIALSA-N 429.026 5.010 30 10 IKEE C=CCN(CC=C)C(=O)c1ccc2nc(CCCOc3ccc4ccccc4c3)[nH]c2c1 1872795825 YWXKKYZNXYNNCU-UHFFFAOYSA-N 425.532 5.542 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H](C)CC)=C(c2cccc(Br)c2)C1=O 1873054119 CALUICCPLCYHPC-MRXNPFEDSA-N 435.406 5.278 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc3c(c2)OCCO3)=C(c2ccccc2C)C1=O 1873305547 KEMYOPBPGYWJBW-UHFFFAOYSA-N 448.563 5.319 30 10 IKEE C=CCN1C(=O)C(Nc2cccc(C)c2C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422740 MONNCSUPARQYKU-UHFFFAOYSA-N 425.532 5.089 30 10 IKEE CCCOc1ccc(/C=N/Nc2oc([C@H]3C[C@@H]3c3ccccc3)nc2C#N)cc1OCC 1873470281 DVHDFXMCQVEHIX-GKTYJPAASA-N 430.508 5.451 30 10 IKEE C=CCn1c(C(=O)Nc2cc(C(C)C)cc(C(C)C)c2)cc2c(NCC(C)C)ncnc21 1873602513 DZBJSLXPSAWZEH-UHFFFAOYSA-N 433.600 6.184 30 10 IKEE C=CCn1c(C(=O)Nc2cc(C)ccc2C)cc2c(NCCC3=CCCCC3)ncnc21 1873638896 AXYAHHQJTKFFOI-UHFFFAOYSA-N 429.568 5.789 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc2c(N3CCCC3)ncnc21 1873650503 MOTPDVZSUJRORK-UHFFFAOYSA-N 439.519 5.262 30 10 IKEE O=[N+]([O-])c1cccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2-c2cccs2)c1 1874421122 WGVJNNPKNNVWBV-WSDLNYQXSA-N 439.497 5.228 30 10 IKEE CCCOc1ccccc1/C=N/n1c(CC(C)(C)C)nnc1SCc1cccc(C)c1 1874437597 JNYNUSDWIMHZPK-YZSQISJMSA-N 436.625 6.138 30 10 IKEE Clc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2[C@@H]2CCCO2)cc1 1874445986 PUMHMPRPZVOITC-KCDOPAPYSA-N 433.364 5.611 30 10 IKEE Fc1cccc(Cl)c1/C=N/n1c(SCc2ccc(Cl)cc2)nnc1C1CCCC1 1874456623 YLACBCSNZUBWJU-BRJLIKDPSA-N 449.382 6.556 30 10 IKEE Fc1cccc(CSc2nnc(C(F)(F)F)n2/N=C/c2ccc(Cl)cc2Cl)c1 1874460955 OQGXQCJKVNYKSL-KTZMUZOWSA-N 449.260 5.917 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2-c2ccco2)cc1 1874463883 GVMAIOQIVPNICN-PCLIKHOPSA-N 432.549 5.810 30 10 IKEE COCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccccc1F 1874474822 UZFIEANUCNYMLA-FOKLQQMPSA-N 439.343 5.087 30 10 IKEE CC(C)(C)c1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccccc1Cl 1874486351 NDGBWOJKQVBWDJ-BHGWPJFGSA-N 437.371 6.196 30 10 IKEE Cc1cccc(/C=N/n2c(CC(C)C)nnc2SCC(=O)Nc2c(C)cccc2C)c1 1874488509 ZXQLIGQKECNTHG-AFUMVMLFSA-N 435.597 5.015 30 10 IKEE COc1cc(/C=N/n2c(SCc3ccccc3F)nnc2C2CC2)ccc1OC(C)C 1874519591 AZRPPFBQWWZEOO-DHRITJCHSA-N 440.544 5.265 30 10 IKEE Cc1cc(OCc2nnc(S)n2/N=C/c2c(O)ccc3ccccc23)cc(C)c1Cl 1874568757 OWBPZVYEDWLFDL-BHGWPJFGSA-N 438.940 5.157 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 1874579982 RJBMXYAIAJTEEJ-GXDHUFHOSA-N 441.354 7.257 30 10 IKEE C=C(C)COc1c(Br)cc(/C=C/C(=O)c2ccc3ccccc3c2)cc1OC 1874603345 OQVQSYHARNFLDB-DHZHZOJOSA-N 437.333 6.462 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)cc1C 1874607565 UJWNECDIRRJJJE-PKNBQFBNSA-N 436.935 6.449 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1OCc1cc(C)ccc1C 1874625615 NIROWQALMWHWRQ-KPKJPENVSA-N 449.478 6.225 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(F)cc2F)c1)c1ccc(-c2ccccc2)cc1 1874693156 PZJJFAWUWMMAFV-CXUHLZMHSA-N 440.445 6.747 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccccc3F)c2)cc1 1874695540 HEWVZDVNOVAUPD-FOWTUZBSSA-N 432.491 6.292 30 10 IKEE CCCCC1CCC(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(C(C)C)cc3)c2)CC1 1874709866 MCPFEUOFTDTCBU-XDHOZWIPSA-N 432.604 7.608 30 10 IKEE COc1cccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc(OC)c(C)c3C)ccc2OC)c1 1874712827 SMNLSSIVTSDHMU-FMIVXFBMSA-N 446.499 5.445 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OC(=O)c1ccccc1[N+](=O)[O-] 1874714014 ZTFKSOLIAJFQFB-FMIVXFBMSA-N 431.444 5.336 30 10 IKEE C=CCN(CC=C)CCC(=O)c1ccc(OC(=O)CCCOc2ccc(Cl)cc2)cc1 1874742362 LYPUXOKSQQHBLX-UHFFFAOYSA-N 441.955 5.351 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3-c3ccccc3)cc2)c1 1875102443 HTHLOKMPHKDZTE-KNTRCKAVSA-N 434.491 6.478 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)ccc1OC(=O)Cc1cc(C)ccc1C 1875102980 JBGIRIRWLKZKAC-RVDMUPIBSA-N 442.555 6.309 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(CCCC)cc2)cc(OC)c1OC(=O)CCOC 1875107919 PLMCNCAYWLMRES-NTCAYCPXSA-N 436.548 5.604 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(OC)c1OC(=O)c1ccc(F)cc1 1875111559 KRHCWAYCYRVMGW-KPKJPENVSA-N 440.854 5.612 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OC(=O)Cc1ccc(C)cc1 1875126942 HEKUSPPJTOBADZ-BUHFOSPRSA-N 434.919 6.091 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1OCC 1875132936 VQRMPPUNDTZSAG-UKTHLTGXSA-N 449.374 7.164 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)Cc1ccc(Cl)cc1 1875136521 CVLRVJLLGUAUSC-RIYZIHGNSA-N 434.919 6.091 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)Oc3ccc(Cl)cc3)cc2)ccc1F 1875141296 XLYYVJZHPWDESW-ANQFXYINSA-N 438.882 6.057 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3OC)cc2)c1 1875143733 NTUXRDPYOJMHLV-GXDHUFHOSA-N 430.500 5.447 30 10 IKEE CC(C)CC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1Br 1875148153 CYWGZIIDKVPKAY-WUXMJOGZSA-N 443.381 6.594 30 10 IKEE O=C(Nc1cccc(Oc2ccc(F)cc2)c1)c1cccc(C(F)(F)F)c1C(F)(F)F 1890704159 KERMHJAAAYYCMF-UHFFFAOYSA-N 443.318 6.908 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C(F)(F)[C@@H](NC(=O)OC(C)(C)C)C1CC1 1922067561 CDXINOMFLWRYML-SFTDATJTSA-N 438.559 5.066 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@H](N(C)C(=O)OC(C)(C)C)C(F)(F)F)NCCC 1922115443 HNTGRAPGWVNOKC-PMACEKPBSA-N 444.538 5.316 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F 1922121556 YJAQOBCRSBITKV-RTWAWAEBSA-N 438.559 5.020 30 10 IKEE C=C([C@@H](NCCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br)[Si](C)(C)C 1923003315 AOPOBHHCOIOUQA-GOSISDBHSA-N 441.486 6.270 30 10 IKEE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1930347759 FYYUJTIJDZKSQH-CPJSRVTESA-N 443.588 5.353 30 10 IKEE CC[C@H]1N(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1991579255 RYQLSJWIMKZTFL-VGOFRKELSA-N 435.952 5.373 30 10 IKEE CC[C@H]1N(C(=O)OC(C)(C)C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1991579256 RYQLSJWIMKZTFL-VGSWGCGISA-N 435.952 5.373 30 10 IKEE C=C1CCC(CC(=O)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)CC1 1997461250 KULXUFQNFAQJFU-AREMUKBSSA-N 427.585 5.536 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)[C@H]1C(C)(C)C 2014558982 WKQMKTPHLSXDIL-JLTOFOAXSA-N 449.514 5.104 30 10 IKEE CC[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(OC)c2)CN1Cc1ccccc1 2029749949 HXBBJKVLPIPIBW-QFQXNSOFSA-N 435.568 5.384 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Br)c(Cl)c1 2041573583 GDXNHEMCNPIEEB-SJORKVTESA-N 429.786 5.060 30 10 IKEE CC[C@]1(Nc2ccc(C#N)c(Br)c2)CCCN(C(=O)OCc2ccccc2)C1 2043970282 IFPSBIPNUVUKEI-QFIPXVFZSA-N 442.357 5.314 30 10 IKEE CCCN[C@]1(C#N)CC[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)[C@@H]1CC 2058736623 CUADHCYNFUNCNU-IARZGTGTSA-N 432.656 5.071 30 10 IKEE N#C[C@H](NC1CCCCC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071261596 XBNQXAGBCGEQAQ-SANMLTNESA-N 426.560 6.332 30 10 IKEE C=C(C)CC[C@@H](NC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071359789 WRMRBEOBSHFDNZ-LEAFIULHSA-N 431.576 5.822 30 10 IKEE C#CC[C@H](C)C[C@H](NCCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2076099333 OYEZMBJZDAQIFH-WFIHMLKPSA-N 442.644 5.248 30 10 IKEE C=C(c1ccccc1)[C@H](O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2076572841 KWFJVBDZSURYDQ-XMMPIXPASA-N 436.596 5.010 30 10 IKEE COc1ccc([C@H](n2nc(C(F)(F)F)c(C#N)c2Br)C(C)(C)C)c(C)c1 2079928355 FFCCOUZZSXVQEI-HNNXBMFYSA-N 430.268 5.489 30 10 IKEE CC(C)(C)c1nn(C(F)(F)F)c(Br)c1-c1cc(C(F)(F)F)ccc1F 2080876195 JPRFIZVXVYTYCN-UHFFFAOYSA-N 433.165 6.244 30 10 IKEE N#Cc1c(C(F)(F)F)nn2c(Cl)cc(-c3ccc(C(F)(F)F)cc3Cl)nc12 2081164999 GYDKOHRRVFPUDL-UHFFFAOYSA-N 425.119 5.612 30 10 IKEE Cc1ccc(N[C@@H](C#N)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1 2134725776 NFPRWKVEXNUPKF-MHZLTWQESA-N 434.539 6.830 30 10 IKEE C=CCN(CC[C@@H](Cc1cccc(C)c1Br)NCCC)C(=O)OC(C)(C)C 2155520226 AMYUMMATDWVIJY-IBGZPJMESA-N 439.438 5.481 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](Nc2cc(Br)c(C#N)cc2F)C[C@H]1C1CC1 2198267876 WVIIWUDQKZNZEK-KSSFIOAISA-N 438.341 5.050 30 10 IKEE C=CCC[C@@H](C)[C@@H](NC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229122791 HOOPUPGBJHZBBP-AYOQOUSVSA-N 425.411 5.075 30 10 IKEE CC1(C)OB(c2ccc(Oc3c(Cl)cc(Br)cc3Cl)nc2)OC1(C)C 2232325768 MLYZVNSTUMMUSR-UHFFFAOYSA-N 444.949 5.242 30 10 IKEE CCCCN(C[C@H](C#Cc1ccccc1Br)NCCC)C(=O)OC(C)(C)C 2235727168 JXTAVLRXIYYCLZ-IBGZPJMESA-N 437.422 5.206 30 10 IKEE CN[C@H](C#Cc1cccc(Cl)c1)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2239562919 LFGCTLAXDOYSIH-LJQANCHMSA-N 449.776 5.762 30 10 IKEE CN[C@@H](C#Cc1cccc(Cl)c1)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2239569241 OUPRTFZJYONPCM-SFHVURJKSA-N 449.776 5.762 30 10 IKEE CCN[C@H](CC=CC#CC(C)(C)C)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2248482127 SWUVJDPWHOZLAS-DHIUTWEWSA-N 428.617 5.070 30 10 IKEE C=CCCC1(C(=O)c2sc(C)c(C)c2Br)CN(C(=O)OC(C)(C)C)C1 2254928623 QGKSBTPVPMKJBU-UHFFFAOYSA-N 428.392 5.513 30 10 IKEE C=CC[C@@]1(COc2cc(Br)ccc2N)CCCCN1C(=O)OC(C)(C)C 2272093852 WTEODHQKQLRJCM-FQEVSTJZSA-N 425.367 5.146 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)C(C)(C)[C@H](C)NC(=O)OC(C)(C)C 2296291293 MYQVXQXNJDFSBL-LPHOPBHVSA-N 437.422 5.108 30 10 IKEE Cc1nc(N2C(=O)C(=O)C(=C(O)c3cccs3)[C@@H]2c2ccc(Cl)cc2)sc1C 2296927086 QFQZHKKLTOPBNJ-INIZCTEOSA-N 430.938 5.101 30 10 IKEE O=C1C(=CNc2ccccc2Br)Nc2ccc(Br)c(Cl)c21 2297315943 ISONCOVTRLKJHC-UHFFFAOYSA-N 428.511 5.427 30 10 IKEE C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)C(=Cc3ccc(OC(F)F)cc3)C[C@H]12 2297329625 UILXPFRZQGQVFT-FTIHUFAWSA-N 442.546 6.174 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2ccccc2[N+](=O)[O-])c1 2297457267 HWDIOQVTFRUWJI-DEOSSOPVSA-N 440.455 5.086 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@H]1CCC[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C 2298154517 IGDLHWRRFXQWCG-OLKYXYMISA-N 428.617 5.163 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C)NCC 2304000002 FAYVSOIVBAZQAM-XPWALMASSA-N 430.633 5.457 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCc3ccc(Cl)cc3Cl)ccc2C1=O 2314438436 SGKXTISABOOFDZ-UHFFFAOYSA-N 441.310 6.587 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2Cl)Oc2cc(OCc3ccccc3Cl)ccc21 2314438495 VCYGACUCQMHPOV-UHFFFAOYSA-N 431.702 6.842 30 10 IKEE CCCN[C@H](C#CC1CC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2315840396 NOMNTHMIMLJMHF-HHHXNRCGSA-N 425.572 6.299 30 10 IKEE Cc1ccc(CSc2nnc(C)n2N=Cc2cccc(OCc3ccccc3)c2)cc1 2321068635 KRXKEFRNDAIJRR-UHFFFAOYSA-N 428.561 5.648 30 10 IKEE COc1ccc(CN2COc3cc(C)c4c(c3C2)OC(=Cc2ccccc2Cl)C4=O)cc1 2321946977 ILTXENJECFXFHM-UHFFFAOYSA-N 447.918 5.625 30 10 IKEE CC(C)c1ccc(C=C2Oc3c(ccc4c3CN(Cc3ccccc3F)CO4)C2=O)cc1 2322054653 FTJPFLCSJMRIIW-UHFFFAOYSA-N 429.491 5.917 30 10 IKEE CCN(CC)CCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1cccc(F)c1)C3=O 2322122988 VBMCZXFJQYOCHN-UHFFFAOYSA-N 438.543 5.024 30 10 IKEE CCc1ccc([C@H](C)N2COc3ccc4c(c3C2)OC(=Cc2ccc(C)cc2)C4=O)cc1 2322259893 BYHKLNVHZNCLRM-IBGZPJMESA-N 425.528 6.087 30 10 IKEE CCc1ccc(C(=O)C=Cc2c(OCc3c(F)cccc3Cl)ccc3ccccc23)cc1 2322353629 YNKMLZXETVRQGI-UHFFFAOYSA-N 444.933 7.670 30 10 IKEE O=C(C=Cc1ccccc1OCc1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])cc1 2322466280 OGLQZZDZQOUFAR-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc(C)cc1C 2322572849 ATZGEMTXXGSSMR-UHFFFAOYSA-N 427.972 5.880 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(C)cc2)c1OCc1ccc([N+](=O)[O-])cc1 2322593429 JJCZPEIIJJURHS-UHFFFAOYSA-N 437.879 6.040 30 10 IKEE COc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)c1 2322724619 PPCXAMMEKVWVCR-UHFFFAOYSA-N 442.511 6.137 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)c1ccc(F)cc1 2322748413 PBRPJJVRPWRSAI-UHFFFAOYSA-N 435.709 7.261 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(OC(=O)c3ccc(C=CC(=O)O)cc3)c2C)C1=O 2323626543 HKNQDSVGZJJRFR-UHFFFAOYSA-N 446.480 5.298 30 10 IKEE CC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)c1 2323896578 UXTUSIQKRFIZSR-UHFFFAOYSA-N 442.467 5.571 30 10 IKEE CC(C)N(Cc1ccccc1)Cc1c(O)ccc2c1OC(=Cc1ccc(N(C)C)cc1)C2=O 2324011926 BOZKBTKEDTZMOC-UHFFFAOYSA-N 442.559 5.485 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccc2c(c1)OCCO2 2324035211 IJUARESYQPHFEL-UHFFFAOYSA-N 441.310 6.240 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OCc1cccc2ccccc12 2324151870 WCIPLLUHJTVVIA-UHFFFAOYSA-N 444.530 7.477 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 2324186299 WXZCHSCSKVWNOJ-UHFFFAOYSA-N 448.450 5.264 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2324478081 OXIPRLXXSSVFCZ-MRXNPFEDSA-N 447.918 5.925 30 10 IKEE CC(=O)Nc1ccc(C(=O)COc2cc(C)c3c(c2)OC(=Cc2cccc(C)c2)C3=O)cc1 2325235193 LWHWEAKOVKDGNM-UHFFFAOYSA-N 441.483 5.140 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccccc1OC 2325532667 HHMJVZPMFDAIRG-UHFFFAOYSA-N 449.407 6.111 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC)c(OC(=O)COc3ccc(C)cc3C)c2)c1 2325706276 DOYRGNHTCZFTQL-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE COc1cccc(C(=O)C=Cc2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)c1 2325707922 DTMGTSWBXBDIMD-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2cccc(Cl)c2)c1)c1ccc(Cl)c(Cl)c1 2325737384 FCNSNSOSKURONM-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3cccc(C)c3C)c2)cc1 2325739351 JJAMHRCAJAJJHA-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE COc1ccc(C(=O)Oc2cc(C=CC(=O)c3cccc4ccccc34)ccc2OC)cc1 2325748939 PGHDERPVOFUESC-UHFFFAOYSA-N 438.479 5.972 30 10 IKEE COc1ccc(C=CC(=O)c2cccc3ccccc23)cc1OC(=O)c1ccc(Cl)cc1 2325749068 YAWXWOIIPYNTPJ-UHFFFAOYSA-N 442.898 6.617 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1OC(=O)CCc1ccc(Cl)cc1 2325750988 YRIAGLDGOZOTKZ-UHFFFAOYSA-N 438.882 5.922 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccccc3-c3ccccc3)c2)cc1C 2325760571 LEZLQGYKHVLPHS-UHFFFAOYSA-N 432.519 7.086 30 10 IKEE CSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccc(Cl)c(Cl)c1 2326503689 AAMVJJYAZBZCKB-UHFFFAOYSA-N 441.771 5.730 30 10 IKEE CCCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1cccc([N+](=O)[O-])c1 2326615621 XWHKVSCSXRDNDE-UHFFFAOYSA-N 445.548 5.509 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc(C(=O)O)cc1 2326705761 HCSQLNWFVYMHKU-UHFFFAOYSA-N 435.336 5.020 30 10 IKEE CCCCCOc1ccc(C=Nn2c(COc3cc(F)ccc3F)nnc2SC)cc1 2327410492 XJFKSJCGQNSZFD-UHFFFAOYSA-N 446.523 5.308 30 10 IKEE COc1ccccc1OCc1nnc(SCCc2ccccc2)n1N=Cc1ccccc1 2328284462 VUYPVMYENKXQAF-UHFFFAOYSA-N 444.560 5.083 30 10 IKEE CCCCCOc1ccc(C=Nn2c(CCc3ccccc3C)nnc2SCC)cc1 2329481458 RSEVGABMQLRSDS-UHFFFAOYSA-N 436.625 5.935 30 10 IKEE Cc1ccccc1CCc1nnc(SCCc2ccccc2)n1N=Cc1ccc(O)cc1 2329489767 AAOQVTVIDMWGBG-UHFFFAOYSA-N 442.588 5.294 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(F)cc2)n1N=Cc1cccc(Br)c1 2329837265 PYHPNJHUNUSLFH-UHFFFAOYSA-N 445.361 5.321 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccccc2)n1N=Cc1ccc(F)cc1F 2330458242 GDRWZKBVOYMCBG-UHFFFAOYSA-N 434.515 5.630 30 10 IKEE COc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)[C@H]1CCCO1 2330615153 AWXVRMBLVHHKHE-RUZDIDTESA-N 428.484 5.343 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3cc(C)cc(C)c3)c([N+](=O)[O-])c2)c1 2330785927 UXWOROAJYPTDPT-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3ccc(C)cc3)nnc2[C@H]2CCCO2)c1 2330888699 LMTFZFYYHCDOCJ-JOCHJYFZSA-N 436.581 5.401 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl 2330949423 PFUZJWQWJLXNPL-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE Cc1ccccc1C=Nn1c(SCC(=O)Nc2ccccc2C)nnc1C1CCCC1 2331046486 GSMORIDRNOFDKQ-UHFFFAOYSA-N 433.581 5.166 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)cc(Cl)c1OC(=O)c1ccccc1 2331069561 ROZBZKOKKVWLTN-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE Fc1ccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C(F)(F)F)cc1 2331156074 ILEAFGMRXGNNHY-UHFFFAOYSA-N 449.260 5.917 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2Br)cc1C 2331167806 XZFKYZFTAFWHGV-UHFFFAOYSA-N 449.344 6.110 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3C)c(OCC)c2)cc1 2331208262 DSTGXWNLOZXBCY-UHFFFAOYSA-N 430.500 5.908 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 2331282248 VNZHNXONYBSGNF-UHFFFAOYSA-N 444.571 6.412 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3)cc2OC)cc1 2331293411 HPSUKAIZDZIRFG-UHFFFAOYSA-N 446.499 5.283 30 10 IKEE CCCCc1nnc(SCc2ccccc2C)n1N=Cc1ccc(C(F)(F)F)cc1 2331320542 CMAMNVJGMTWSHC-UHFFFAOYSA-N 432.515 6.122 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)c1ccccc1OC 2331326958 UWSDLORVGUNFOQ-UHFFFAOYSA-N 430.500 5.826 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc([N+](=O)[O-])c1OC(=O)C1CC1 2331418533 YJUGTCRXWUBDNM-UHFFFAOYSA-N 437.492 5.503 30 10 IKEE Cc1ccc(C=Nn2c(CC(C)C)nnc2SCC(=O)Nc2c(C)cccc2C)cc1 2331450504 QTPPMFSBLYKNDK-UHFFFAOYSA-N 435.597 5.015 30 10 IKEE COc1ccc(OC)c(C=Nn2c(CC(C)C)nnc2SCc2cccc(Cl)c2)c1 2331470754 HWCXLXFITYCYGM-UHFFFAOYSA-N 444.988 5.322 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc1[N+](=O)[O-] 2331747822 CGVBPWMEVXCPMO-UHFFFAOYSA-N 431.872 5.557 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccc(C#N)c(Br)c2)[C@H]1C(F)(F)F 2370064482 NRTVHYWUXVUQKI-CABCVRRESA-N 448.283 5.063 30 10 IKEE COc1ccc(SCc2ccc(B3OC(C)(C)C(C)(C)O3)c(Br)c2)cc1 2377315328 IOKPKNWSYUQNOH-UHFFFAOYSA-N 435.192 5.049 30 10 IKEE COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 2448618 RVLIIMBGSXAMRF-IWIPYMOSSA-N 428.484 5.828 30 10 IKEE Cc1ccc([C@@H]2C3=C(CCCC3=O)Nc3nc(SCc4cccc(Cl)c4)nn32)cc1 9856495 JOFRKQLKNDNFEO-OAQYLSRUSA-N 436.968 5.554 30 10 IKEE CCCCCSc1nc2n(n1)[C@@H](c1ccccc1Cl)C1=C(CC(C)(C)CC1=O)N2 20850888 MUZOMRLUYQAWSG-IBGZPJMESA-N 431.005 5.872 30 10 IKEE C=CCn1c(SCC(=O)Nc2cc(F)ccc2F)nnc1-c1ccc(C(C)(C)C)cc1 21120675 UACZVLCLNKEZEO-UHFFFAOYSA-N 442.535 5.438 30 10 IKEE COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2O)c1 21236833 XGWGRLFHAAIHJE-OQRWROFFSA-N 442.515 5.389 30 10 IKEE O=C(/C=C/c1ccc(Cl)cc1Cl)c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 34954145 QNKFQBRNJMOCCT-WUXMJOGZSA-N 431.702 6.762 30 10 IKEE CC(C)NC(=O)[C@@]12CC[C@@](C)(/C(=N\OC(=O)c3ccc(Cl)cc3Cl)C1)C2(C)C 38288372 HJLDNTZXEMFZAF-AOXKFUOFSA-N 425.356 5.247 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OC(=O)c4ccccc4C)cc(C)c3C2=O)c1OC 41284908 AZKVVKFXYJVSCP-XKZIYDEJSA-N 430.456 5.156 30 10 IKEE C[C@H](c1ccccc1)N1COc2ccc3c(c2C1)O/C(=C\c1cn(C)c2ccccc12)C3=O 41661833 UVRASTRIAFDJCZ-SJJYNHATSA-N 436.511 5.708 30 10 IKEE CCCOc1ccc([C@@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccccc4)nn32)cc1 54642265 ZSKHAARIIRXPID-HSZRJFAPSA-N 446.576 5.381 30 10 IKEE CCOc1cc(/C=C2/S/C(=N\c3cccc(Cl)c3Cl)NC2=O)ccc1OCC#N 59566912 HHOPHKVLRIMZFJ-GZTJUZNOSA-N 448.331 5.186 30 10 IKEE CCCCCCCCCCCCCCCCNC[C@H](C)Oc1ccc(C(C)(C)C)cc1 100023664 XLQIANXVXUGCJO-SANMLTNESA-N 431.749 8.822 30 10 IKEE CCCCCCCCCCCCCCCCNCC(=O)Nc1ccc(NC(=O)CC)cc1 100055943 ZQDKGQRZWWQSAU-UHFFFAOYSA-N 445.692 7.045 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)S/C1=N/c1nccs1 101128113 KAHRAFWEXDFVPA-QJYUKRAPSA-N 435.574 5.654 30 10 IKEE CCCCCCCCn1c([C@@H]2CC(=O)N(c3ccc(CCCC)cc3)C2)nc2ccccc21 102211192 NOFIRXKLVXKDBI-XMMPIXPASA-N 445.651 7.260 30 10 IKEE COCCCN1C(=O)/C(=C/c2cccc(F)c2)S/C1=N\c1ccc(OC)c(Cl)c1 102926798 DDVLEDHVUAGQDR-UYLZVCPASA-N 434.920 5.128 30 10 IKEE COc1cccc(-c2c(C)sc3nc(C(C)C)n(Cc4cccc(C#N)c4)c(=O)c23)c1 169902385 PKUNEXUQEMKLJV-UHFFFAOYSA-N 429.545 5.485 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2sc(C)nc2C)=C(O)C(=O)N1c1cc(C)cc(C)c1 169941466 NITFWFBUQGAPRB-NRFANRHFSA-N 448.544 5.168 30 10 IKEE Cc1cc(C)c(-c2csc(N/N=C\c3cccc(OCc4ccccc4)c3)n2)c(C)c1 169943034 GGWXNXCIXPULOE-DICXZTSXSA-N 427.573 6.760 30 10 IKEE CCCOc1c(OC)cc(/C=N\Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1OC 169943411 WHLCYCHSIFIJLX-CFRMEGHHSA-N 425.554 5.679 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccc(O)cc2)cc1C 169960153 FTZZWJZCIXXRBL-SANMLTNESA-N 449.506 5.945 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccc(F)c(F)c2)c1 169968573 XJJGNIGBRFCJMI-XMMPIXPASA-N 433.454 5.375 30 10 IKEE Cc1cccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccc(F)c(F)c2)c1 169968576 XJJGNIGBRFCJMI-DEOSSOPVSA-N 433.454 5.375 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccccn2)c(C)c1 169991689 GBTXKLSYKWDEKH-DEOSSOPVSA-N 442.515 5.305 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccccc2)cc1 170032811 QADGRMPZFHEECC-SANMLTNESA-N 441.527 5.577 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2Cc2ccccn2)cc1 170067616 VJENTLHWLLZCRA-AREMUKBSSA-N 440.543 5.303 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@H]2c2ccco2)c1 170089823 NJMQSOIMKHOPEE-HSZRJFAPSA-N 447.487 5.168 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1ccc(O)cc1 170133358 RTUSTGYLZQCTPS-XMMPIXPASA-N 443.499 5.271 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(C)c2)cc1 170142234 WXOANSRWWCRFIM-AVRWGWEMSA-N 439.511 5.410 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(OC(C)C)cc1 170151996 VQLUCLLWIDZSKL-RUZDIDTESA-N 443.543 6.005 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(Cl)cc1 170235270 NBCQKKXUGBFYNM-QFIPXVFZSA-N 449.890 5.140 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccco2)cc1C(C)C 170290029 JRUXYHDYQYSOEB-DEOSSOPVSA-N 445.515 5.811 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1ccc2c(c1)OCCO2 170326218 PAIVCSQPFATMBM-HSZRJFAPSA-N 449.547 5.052 30 10 IKEE Cn1cc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(Cl)cc2)c2ccccc21 170395809 UNWNSWIMMNKLST-NRFANRHFSA-N 432.863 5.208 30 10 IKEE Nc1ccccc1N=C1C=C(c2ccccc2)N(N(c2ccccc2)c2ccccc2)C1=O 252616655 KCWZGDITJUVXIB-UHFFFAOYSA-N 430.511 5.978 30 10 IKEE CC1(C)OB(c2ccc(Cl)c(NC(=O)c3cc(Cl)sc3Cl)c2)OC1(C)C 405013908 WEUJQMMKBFLYFM-UHFFFAOYSA-N 432.565 5.260 30 10 IKEE Cc1ccc([C@H]2C(c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526489557 WGAFMKCQWHKPKS-SANMLTNESA-N 438.527 5.959 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccc(C)c2)c1 526514940 FJPXWMOKCZDCJE-AREMUKBSSA-N 438.527 6.103 30 10 IKEE CCOc1ccc2ccccc2c1/C=N\n1c(CC)nnc1SCc1cccc(C)c1 526808097 NMQWJECOUWXLET-QQXSKIMKSA-N 430.577 5.875 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1cccc(OC)c1OC 526817290 ZYABMTKMMUDXFC-QRVIBDJDSA-N 430.961 5.076 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccc(C(C)(C)C)cc1 526821880 OULVUPGWUIJLGF-VEILYXNESA-N 442.632 6.856 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)c3ccccc3Cl)C2)c1 586003122 YVQRASBYZIGVQT-FQEVSTJZSA-N 439.987 5.212 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(Br)cc(Br)c1 698409633 VVTTYFVSBIAWFL-NHYWBVRUSA-N 446.183 5.812 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@H](C#N)c1cc(Br)c(Cl)s1 698831256 WMZRVTSSGHDSAI-LBPRGKRZSA-N 447.807 6.227 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@H](C#N)c1cccc(F)c1Br 698836944 BZNLJIHJZYNNRW-QGZVFWFLSA-N 425.342 6.113 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@@H](C#N)CN(C(=O)OC(C)(C)C)C(C)(C)C 698902801 LLVVKVQGGZRPOJ-SFHVURJKSA-N 435.540 5.495 30 10 IKEE CN(Cc1ccccc1)C1(CNc2cc(Br)c(C#N)cc2F)CCCCC1 714236657 QLHQFTGYMLSPDB-UHFFFAOYSA-N 430.365 5.707 30 10 IKEE CSc1nc2ccc(N=Cc3ccc(Sc4nc5ccccc5s4)o3)cc2s1 1083995755 KLKIRKXTGJPZJU-UHFFFAOYSA-N 439.612 7.123 30 10 IKEE COC(=O)c1c(N=Cc2ccc(Br)cc2)sc(Cc2ccccc2)c1C 1084099697 PBPYKSLMUQKABE-UHFFFAOYSA-N 428.351 5.947 30 10 IKEE COC(=O)c1ccc(O)c(N/C(=N/Cc2ccc(C(F)(F)F)cc2)NC2CCCCC2)c1 1088710185 ZQFNXLYVGXUBRP-UHFFFAOYSA-N 449.473 5.088 30 10 IKEE COc1cccc(/C=C2/SC(=Nc3cccc(C(=O)O)c3)N(C3CCCCC3)C2=O)c1 1772735554 JPHIDVWUGNMUHK-ZOQGDPGVSA-N 436.533 5.330 30 10 IKEE Cc1csc(N=C2S/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)N2C2CCCCC2)n1 1772739471 RSDYICPEHWNQRH-GNYMFXGWSA-N 428.539 5.296 30 10 IKEE C[C@H]1CCc2c(sc(NC(=O)COc3cccc(NC(=O)c4ccccc4)c3)c2C#N)C1 1860090828 VXOXFBHQYAHRBL-INIZCTEOSA-N 445.544 5.014 30 10 IKEE O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(c1ccc(F)cc1)C1CCCCC1 1860422978 YHMKKSVCXNSPRK-UHFFFAOYSA-N 433.367 6.843 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)CCCOc1ccc(CC)cc1 1861711759 JCSIGNRRPXVYBU-XMMPIXPASA-N 432.649 5.560 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccccc1F 1862381530 BXEDVGILSOBHMV-IBGZPJMESA-N 436.310 5.901 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2Cl)=C(O)C(=O)N1CCCCCO 1862382410 MSTIXEXMZHVUQO-FQEVSTJZSA-N 448.346 5.043 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(OC)cc1 1862385544 RWFKTRIEHNYOMY-IBGZPJMESA-N 434.319 5.380 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862429540 PMKNSGVHJVMLKM-GAJHUEQPSA-N 431.919 5.988 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc2cc[nH]c2c1 1862478054 YBDMNOKNUPCHDG-RUZDIDTESA-N 444.575 6.415 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 1862481438 FUOFYAFZGCMYHG-HXUWFJFHSA-N 448.346 5.307 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cccc(F)c1 1862488635 FBJNZZZLXQJXDB-XMMPIXPASA-N 437.555 6.381 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@@H]2c2cccc(O)c2)c1 1862489918 KFBNDFTYNGIGQF-HSZRJFAPSA-N 447.918 5.441 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(Cl)cc2Cl)c1 1862498341 GGGMJYKZWXLCAT-OAQYLSRUSA-N 444.358 6.131 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1c(F)cccc1Cl)c1ccc(Cl)c(Cl)c1 1862585476 XIUDZMVIMGTGCG-KRWDZBQOSA-N 440.685 5.527 30 10 IKEE O=C(C1=C(O)C(=O)N(C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccc(F)cc1)c1cccc(O)c1 1862590279 FQLPMSHSPGCQRM-TVQFERKRSA-N 447.506 5.078 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862619258 RDPLWKOAKMKWHT-VFNWGFHPSA-N 436.508 5.269 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C(C)C)cc1 1862624186 UJVIRTOGQMTBPI-XMMPIXPASA-N 448.607 5.817 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1c(F)cccc1Cl 1862644677 QHAAQKNYXYUHFB-LJQANCHMSA-N 435.854 5.005 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccc(OCC)c1 1862664806 RPDQLHUORGIMNP-DEOSSOPVSA-N 435.564 5.977 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccc(Cl)c2)[C@@H]1c1ccccc1F)c1ccc(F)cc1 1862674611 ZDMCLHOTGSJKSJ-OAQYLSRUSA-N 439.845 5.397 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc(Cl)cc2)c1 1862700933 RRKPYBVWJBFZHE-ZAOYMGCJSA-N 439.939 5.506 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(N(C)C)cc1 1862714508 KTTBPHYTSPYDBO-MZNJEOGPSA-N 428.532 5.283 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 1862752581 YWIJFAGBZSNVJO-FQEVSTJZSA-N 440.883 5.159 30 10 IKEE Cc1ccc(NC2=C(c3ccccc3Cl)C(=O)N(c3cccc(C#N)c3)C2=O)cc1Cl 1863076246 DMKCVMDKIYDIRZ-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE CCCOc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(C3CCCCCC3)C2=O)cc1 1863345677 VLLGSCJYRVACCL-UHFFFAOYSA-N 443.547 5.262 30 10 IKEE CC(C)Oc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(C3CCCCCC3)C2=O)cc1 1863357450 MZCWNVWEBOKQAH-UHFFFAOYSA-N 443.547 5.260 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2Cl)C(=O)N(CCCOC)C1=O 1863775028 ONVPTVQOBVCYGP-UHFFFAOYSA-N 435.008 5.187 30 10 IKEE N#Cc1cccc(C(=O)N(c2cccc3cccnc23)C2CCN(Cc3ccccc3)CC2)c1 1865850199 CSLZECGFSONBHX-UHFFFAOYSA-N 446.554 5.418 30 10 IKEE CC(C)c1nc(Nc2ccccc2C#N)cc(N2C[C@H](c3ccccc3)Cc3ccccc32)n1 1868237812 DVPXXTJEQLVKKZ-XMMPIXPASA-N 445.570 6.693 30 10 IKEE COc1cc2c(cc1OC)N(c1cc(Nc3ccccc3C#N)nc(-c3ccccc3)n1)CC2 1868372937 KXDZBEORNRBCBL-UHFFFAOYSA-N 449.514 5.470 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC(Oc3cccc(CC)c3)CC2)nc(C(C)(C)C)n1 1869183949 OERVSUQOKHNJTQ-UHFFFAOYSA-N 434.628 5.563 30 10 IKEE CCCCCCCOc1cn(CCCCC)c(CN(CC)CCc2ccncc2)cc1=O 1870411547 DWESFTMKLXVPNJ-UHFFFAOYSA-N 441.660 5.847 30 10 IKEE CCCCCCCOc1cn(CCC2=CCCCC2)c(CN2CCN(CC)CC2)cc1=O 1870416590 FTFYXUQWYWDVSC-UHFFFAOYSA-N 443.676 5.226 30 10 IKEE CCCCCCCCCCn1cc(OCC2CCCCC2)c(=O)cc1CN1CCCC1 1870484680 DKWMXNUSTUXICW-UHFFFAOYSA-N 430.677 6.544 30 10 IKEE C=CCn1cc(OCC2CCCCC2)c(=O)cc1CNc1ccc(CC)c([N+](=O)[O-])c1 1870913318 MGLSETYLPDIQDQ-UHFFFAOYSA-N 425.529 5.076 30 10 IKEE C#CCOc1cn(CCCCCCCC)c(CNc2ccc(Cl)c(Cl)c2)cc1=O 1871007346 XROBUTAFXOUXNB-UHFFFAOYSA-N 435.395 6.140 30 10 IKEE C=CCn1cc(OCCOc2ccc(C(C)(C)C)cc2)c(=O)cc1CNc1ccccc1 1871039986 ZSLHEOPRGDPRTP-UHFFFAOYSA-N 432.564 5.402 30 10 IKEE CCCCCCCCCCn1cc(OCCC)c(=O)cc1CNc1cccc(N(C)C)c1 1871106911 ZZPJXCIRPPTBRU-UHFFFAOYSA-N 441.660 6.456 30 10 IKEE CCc1ccc([C@H](C)N2COc3c(cc4c(c3C)O/C(=C\c3sccc3C)C4=O)C2)cc1 1871359960 MKMLQUXBJRWZSI-QRAWFLTRSA-N 445.584 6.457 30 10 IKEE O=C(/C=C/c1ccco1)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 1871369296 DSPGYOYGJRXLFX-NZCXTDTASA-N 427.239 5.821 30 10 IKEE Cc1c(OC(=O)c2c(F)cccc2Cl)ccc2c1O/C(=C\c1ccc(Cl)cc1)C2=O 1871375542 QVDRGOZDRTUOQZ-ODLFYWEKSA-N 443.257 6.276 30 10 IKEE COc1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871377037 RGBPTHCKOGOKAS-FDTILGBMSA-N 446.886 5.892 30 10 IKEE Cc1cc(OC(=O)c2cccc(OCC(C)C)c2)cc2c1C(=O)/C(=C/c1ccccc1)O2 1871381047 KUUSHBHXRSNRCS-CFRMEGHHSA-N 428.484 5.865 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2OC)C3=O)cc1 1871387753 NFOXLOGRFULDBT-JLPGSUDCSA-N 444.483 5.628 30 10 IKEE Cc1cc(O)c(CN2CCC[C@H](C)C2)c2c1C(=O)/C(=C/c1ccccc1Br)O2 1871396675 QUZDUBIRRWOKAQ-GNKPEBMXSA-N 442.353 5.311 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OCCCCOc4ccc(C)cc4)c3C)C2=O)cc1 1871404324 IGDPKRSWXSCKJD-ITYLOYPMSA-N 444.527 6.166 30 10 IKEE COc1ccccc1/C=C1\Oc2c(ccc(O[C@H](C)C(=O)Nc3ccc(C)cc3)c2C)C1=O 1871406966 KQIVTQLSTNZJHD-BEXDPUPVSA-N 443.499 5.334 30 10 IKEE CCCC[C@H](Oc1ccc2c(c1C)O/C(=C\c1ccc(N(CC)CC)cc1)C2=O)C(=O)O 1871422794 DGLVHSQGRAABQR-NRPPHEFGSA-N 437.536 5.480 30 10 IKEE CC(=O)c1ccccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1sccc1C)C2=O 1871441925 QLBGJAZZYKDZFT-MTJSOVHGSA-N 447.512 5.201 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(Cl)cc1)[C@@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1871892032 NKCIOZFMGJAILG-HTAPYJJXSA-N 449.016 5.187 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1C)c1ccccc1)S(=O)(=O)c1cccs1 1872418728 HBQMNEDYKUWASD-JOCHJYFZSA-N 440.590 5.003 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3cccc(Cl)c3)n2)cc1Cl 1872785474 NUVPEPYHIKJNRK-BIENSFFJSA-N 429.328 6.015 30 10 IKEE Cc1nc(SCc2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2)c(C#N)c(C)c1C 1872895368 PXYRDUSAFYVCNM-UHFFFAOYSA-N 431.517 5.152 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCOC(C)C)=C(c2c(C)cc(C)cc2C)C1=O 1873117543 KTMXWRBIXCIFFC-UHFFFAOYSA-N 442.644 5.457 30 10 IKEE C=CCN1C(=O)C(Nc2cc(C)ccc2OCC(C)C)=C(c2ccc(OC(C)C)cc2)C1=O 1873378762 UWSXGSGNRCFNNA-UHFFFAOYSA-N 448.563 5.195 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccccc3C(C)(C)C)c(=O)oc2c1C 1873914227 ABIGVHUFDRWHTO-UHFFFAOYSA-N 433.548 5.843 30 10 IKEE CCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccccc1C(=O)O 1874244595 KITFIROFSVEGMU-MFKUBSTISA-N 438.597 5.120 30 10 IKEE CCCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1cccc([N+](=O)[O-])c1 1874255907 KNAORMWERLWFCK-YDZHTSKRSA-N 439.541 5.075 30 10 IKEE CCCOc1cccc(/C=N/n2c(CCc3ccccc3Cl)nnc2SCC)c1 1874276583 TZWLCBVBQZDAEX-LFVJCYFKSA-N 428.989 5.500 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc(Cl)cc1 1874279076 RWFLDLCFLCSBQG-ZMOGYAJESA-N 431.392 5.921 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2/N=C/c2ccc(C(C)C)cc2)CC1 1874287357 ALXIKWBOVODDNC-NLRVBDNBSA-N 426.674 7.250 30 10 IKEE CCSc1nnc(COc2c(C)cccc2C)n1/N=C/c1ccc(C(F)(F)F)cc1 1874299486 CPJWVUUOHMEIPI-BRJLIKDPSA-N 434.487 5.487 30 10 IKEE C=CCSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874359313 ALPVHJXHJKXQDF-YDZHTSKRSA-N 441.944 5.208 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2ccccc2F)cc1 1874389840 IPDRGBLXMQJLAF-OVVQPSECSA-N 430.552 5.533 30 10 IKEE Clc1ccccc1CSc1nnc(CCc2ccccc2)n1/N=C/c1cccnc1 1874403923 ZOHXKGVGEUPZFN-WGOQTCKBSA-N 433.968 5.286 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(CC2CCCCC2)n1/N=C/c1cccnc1 1874411502 XDLOWIRXDBIXFW-VULFUBBASA-N 443.979 5.763 30 10 IKEE CCOc1cccc(/C=N/n2c(SCCc3ccccc3)nnc2-c2cccs2)c1 1874423179 YTSHHKQQKHMFPD-JJIBRWJFSA-N 434.590 5.622 30 10 IKEE Clc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2-c2cccs2)cc1 1874424378 IGQRYIZKGDVLHK-FSJBWODESA-N 445.400 6.488 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2cccnc2)c(Cl)c1 1874430766 WTPNGNSOZQTAQQ-DHRITJCHSA-N 440.359 5.821 30 10 IKEE CC(C)(C)c1nnc(SCc2ccccc2Cl)n1/N=C/c1ccccc1C(=O)O 1874484110 GARRZWGFFBEQRU-FSJBWODESA-N 428.945 5.102 30 10 IKEE Cc1ccc(CSc2nnc(C3CCC3)n2/N=C/c2c(Cl)cccc2Cl)cc1 1874493458 NHTAWAHUDHSUHP-WYMPLXKRSA-N 431.392 6.335 30 10 IKEE Cc1ccccc1NC(=O)CSc1nnc(C2CCC2)n1/N=C/c1ccc(Cl)cc1 1874494492 OVVRSRCMRVDERP-ZMOGYAJESA-N 439.972 5.120 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2C(C)C)cc1 1874512460 YSLLFTOVXLANFZ-WGOQTCKBSA-N 440.588 6.284 30 10 IKEE O=[N+]([O-])c1cccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C2CC2)c1 1874520964 TXJLURZQMWCVGF-LSHDLFTRSA-N 448.335 5.545 30 10 IKEE Cc1ccc(COc2cccc(/C=N/n3c(S)nnc3-c3ccccc3Cl)c2)cc1 1874562173 GYPKQHMMQCAAKZ-AFUMVMLFSA-N 434.952 5.657 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)c1OCCc1ccccc1 1874590583 NMIRHGPNVYJQRS-BMRADRMJSA-N 428.572 6.819 30 10 IKEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1OCC 1874607702 BDKSGEUCPHHRMM-VZUCSPMQSA-N 447.325 5.076 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 1874616746 QGUUVUBZJVJREL-SDNWHVSQSA-N 431.488 6.085 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OCc1c(F)cccc1Cl 1874633015 HZXILBXOQICHKH-FMIVXFBMSA-N 438.926 6.970 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1 1874637526 DXVBGSWDKFESRV-MDWZMJQESA-N 440.326 6.215 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc(Br)c1OCCO 1874638207 NUHJKPMLGUDSBB-GORDUTHDSA-N 446.124 5.032 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c2ccccc12 1874638438 ZTFNGBROMYWDFB-MHWRWJLKSA-N 439.467 6.232 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1OC(=O)c1cccc(Cl)c1 1874692645 QOFLGICHBFGUEH-UKTHLTGXSA-N 442.898 6.617 30 10 IKEE COc1cccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3ccc4ccccc4c3)c2)c1 1874693655 PXZWOCIZARDXEF-FOWTUZBSSA-N 436.507 6.283 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1OC(=O)c1sccc1C 1874702246 LUNDOWFNHHMPMY-XVNBXDOJSA-N 447.339 6.487 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OC(=O)c2cc(Cl)ccc2OC)c1 1874704492 RNBZLKCFPBFOSC-CSKARUKUSA-N 436.891 5.781 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)Cc2ccccc2)c1 1874712589 ZVMWLCMWFFUTJF-ZHACJKMWSA-N 441.310 6.046 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](C)CSc2nnc(COc3cccc(C)c3C)n21 1875026766 CVSZWHQSHCQARC-SFHVURJKSA-N 430.618 5.183 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(Cl)c(C)c3)cc2)c1 1875102627 KSQPZLVSAPXOGH-MDWZMJQESA-N 436.891 5.538 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)c(C)c3)c(OC)c2)c1 1875104319 QZRWNZLOQLLFOM-ZRDIBKRKSA-N 430.500 5.365 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Br)c(OC(C)=O)c(OCC)c2)cc1 1875107671 CTMLJGLOLKKSMC-JLHYYAGUSA-N 445.353 6.012 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1)c1ccc(-c2ccccc2)cc1 1875111302 CZZMSLGGXYMKEM-XDHOZWIPSA-N 438.910 7.122 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 1875112553 DDMBTAOTBAHJAC-LNKIKWGQSA-N 447.443 5.117 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 1875118394 UZRUGBARHCJVCQ-MHWRWJLKSA-N 439.508 6.156 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)CC(C)(C)C)c(Br)c2)c1 1875139654 UFOHCNCAAYYPCH-CSKARUKUSA-N 429.354 6.304 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)cc2)ccc1F 1875141233 UKNLXAXCGLEBDH-XJWULPMGSA-N 434.894 6.393 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 1875142505 GYFBTAIRAOHNIW-XVNBXDOJSA-N 448.534 6.161 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)c1cccs1 1875160475 SJLXAHZQJXVZLO-QPJJXVBHSA-N 434.847 5.804 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc(OC)c1OC(=O)C1CCC1 1875171283 OUMVJNZDRNRUDM-VAWYXSNFSA-N 434.532 5.651 30 10 IKEE COc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2OC)cc1 1875179232 WHNRTBMISSSWRQ-AWNIVKPZSA-N 446.499 5.201 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)[C@@H]3CCCO3)c(Br)c2)c(C)c1 1875183061 ITWWTKDLQXFTHI-PVHVJQTOSA-N 443.337 5.355 30 10 IKEE CCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc1OC 1875190447 MMVBNHFIDSFGDA-ACCUITESSA-N 434.488 5.467 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N1C[C@H](C)O[C@@H](C)C1)n2CCCC 1875212647 NBODAVGOKXSMRB-PMACEKPBSA-N 443.636 5.253 30 10 IKEE C=CCCC[C@H](NCCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997468960 KMIIQONQDVCZPK-OZXSUGGESA-N 430.633 5.555 30 10 IKEE Cc1ccc(N=C2NC(=O)C(=Cc3ccc(Sc4ccc(Cl)cc4)o3)S2)cc1 2040470344 UPLFVCCMLNRHSE-UHFFFAOYSA-N 426.950 6.284 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C[C@H]1C1CC1 2073783317 VRTLXIIXEDKSTK-NBGIEHNGSA-N 441.572 5.500 30 10 IKEE CC[C@@H](c1ccc(C2CC2)cc1)n1nc(C2CC2)c(/C=N/O)c1I 2079035004 WOOHAKQPQGQGLC-RYFGYPJOSA-N 435.309 5.050 30 10 IKEE CC1(c2nn(Cc3cc(F)ccc3C(F)(F)F)c(Br)c2C(F)(F)F)CC1 2079826997 DRGFQHKBPNYUIY-UHFFFAOYSA-N 445.176 5.922 30 10 IKEE CCc1nn([C@@H](c2ccc(C(C)C)cc2)C2CCC2)c(I)c1C#N 2079896550 KOIOZDSPIVVKRD-LJQANCHMSA-N 433.337 5.435 30 10 IKEE COc1ccc(CN(Cc2ccccc2)C2CCCCC2)cc1B1OC(C)(C)C(C)(C)O1 2095913370 UNHQHYJEWPQRJE-UHFFFAOYSA-N 435.417 5.329 30 10 IKEE CC[C@H]1CC[C@H](Nc2cc(Br)cc(F)c2C#N)CN1C(=O)OC(C)(C)C 2107452092 ZADYXLZACHESSX-KBPBESRZSA-N 426.330 5.050 30 10 IKEE CC1(C)OB(C=C2CCN(C(=O)c3ccc(OCc4ccccc4)cc3)CC2)OC1(C)C 2107460748 ILAWFTQDGSNXQV-UHFFFAOYSA-N 433.357 5.059 30 10 IKEE C=CCN(CC[C@@H](Cc1cccc(Br)c1Cl)NCC)C(=O)OC(C)(C)C 2110493915 BXULKGFMGZYICR-INIZCTEOSA-N 445.829 5.436 30 10 IKEE CCCCC#CCC(=O)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2139019981 VKXVRHSKCVHYJG-LJAQVGFWSA-N 442.555 6.031 30 10 IKEE C=CCCCC[C@@H](NCCC)c1ccc(Br)cc1I 2142286786 HZTKEWGNHCEOAN-MRXNPFEDSA-N 436.175 5.841 30 10 IKEE CC1(C)OB(c2cnc(Oc3cccc4sccc34)c(Br)c2)OC1(C)C 2172629735 BOFWRCIEQUQZNG-UHFFFAOYSA-N 432.148 5.150 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H](CNc2ccc(C#N)c(Br)c2F)CC12CCC2 2173317922 QLKGSPPIHWIQID-CYBMUJFWSA-N 438.341 5.051 30 10 IKEE CCCCCC#CC[C@H](O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237400957 ZQNXZJGEQXWXHC-UXHICEINSA-N 438.406 5.220 30 10 IKEE C#CC[C@H](C)CN(C)C(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2243924630 JKMMRAKXFFEAJB-RXFWQSSRSA-N 446.591 5.058 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCC(=O)O)c1sc(C)c(C)c1Br 2262205972 NDSKWLSSDLIAMV-SFHVURJKSA-N 425.344 5.043 30 10 IKEE O=C(Oc1ccc(Br)cc1C(=O)C=Cc1cccs1)c1ccc(F)cc1 2295982180 XXYCLQLOGZYENR-UHFFFAOYSA-N 431.282 5.765 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)CCCCCNC(=O)OC(C)(C)C 2296295413 COPPBWLLERDAPA-FQEVSTJZSA-N 437.422 5.254 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)CN(CC(C)(C)C)C(=O)OC(C)(C)C 2296297574 AHUXFUGATDMPMK-IBGZPJMESA-N 437.422 5.062 30 10 IKEE O=C1NC(=Nc2cccc(OC(F)(F)F)c2)C(=Cc2cc3ccccc3nc2O)S1 2297473133 ZXLUROLQSIUPFH-UHFFFAOYSA-N 431.395 5.367 30 10 IKEE C=CCSc1nnc(C)n1N=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2321165958 JWTBHSZKTPBYJW-UHFFFAOYSA-N 433.364 5.633 30 10 IKEE Sc1nnc(Cc2ccccc2)n1N=Cc1cccc(OCc2ccccc2Cl)c1 2321883900 GOMNKKQKVSPNIQ-UHFFFAOYSA-N 434.952 5.272 30 10 IKEE Sc1nnc([C@@H]2CCCO2)n1N=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 2321884030 FHCJCZITCJATRF-SFHVURJKSA-N 449.363 5.186 30 10 IKEE Cc1ccc(COc2ccccc2C=Nn2c(S)nnc2COCc2ccccc2)cc1 2322016196 XRTMHBAQXLAFHD-UHFFFAOYSA-N 444.560 5.053 30 10 IKEE Cc1cccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(C23CC5CC(CC(C5)C2)C3)C4)c1 2322238712 USJYLJTYDJEFNC-UHFFFAOYSA-N 441.571 6.040 30 10 IKEE Cc1ccc(OCc2nnc(S)n2N=Cc2cccc(OC(C)C)c2)c(C(C)(C)C)c1 2322260347 ANXPCYRINQTLTD-UHFFFAOYSA-N 438.597 5.421 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(C(C)(C)C)cc1)C3=O)CN(Cc1cccs1)CO2 2322308371 FKBFMKBEDSGRJS-UHFFFAOYSA-N 445.584 6.322 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1cccc(Cl)c1)C3=O)CN(Cc1ccc(F)cc1)CO2 2322347464 BCVFDHUCTHLNCN-UHFFFAOYSA-N 435.882 5.756 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(=O)c4cc5ccccc5o4)cc(C)c3C2=O)c1 2322842591 HEOJGYPHVILVMU-UHFFFAOYSA-N 426.424 5.585 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(=O)c4cccc(C)c4)cc(C)c3C2=O)c1OC 2322880810 RYQGZSTVHSERKC-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)CCc4ccc(Cl)cc4)ccc3C2=O)cc1 2323101759 MJSBODVVZCWSOS-UHFFFAOYSA-N 434.875 5.503 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1cc(C)c2c(c1)OC(=Cc1sccc1C)C2=O 2323177241 NSPFAGLTHVOSQO-UHFFFAOYSA-N 448.540 6.054 30 10 IKEE CCOc1c(OC)ccc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)c1Br 2323231476 DAUAXRLRZWXZDF-UHFFFAOYSA-N 447.369 6.193 30 10 IKEE CCOc1c(OC)ccc(C=CC(=O)c2cc(Cl)ccc2Cl)c1Br 2323327569 YDXIUAOWWPHRMW-UHFFFAOYSA-N 430.125 6.059 30 10 IKEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1C 2323363404 KHNRQUWLPADFDB-UHFFFAOYSA-N 437.879 6.040 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2C)C3=O)cc1 2323374685 WCWJOIAPZZJLDW-UHFFFAOYSA-N 428.484 5.466 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)ccc1OCC(=O)Nc1ccc(C)cc1 2323713785 APXRILXXTXFCAY-UHFFFAOYSA-N 445.515 5.316 30 10 IKEE COc1ccc(-c2csc(NN=Cc3ccc(OC(C)C)c(Cl)c3)n2)c(OC)c1 2323865207 UTDUHFHCSKYIER-UHFFFAOYSA-N 431.945 5.714 30 10 IKEE CCc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3cc(OC)c(OC)c(OC)c3)n2)cc1 2324378602 MMLXEXIATGJNKC-IBGZPJMESA-N 448.544 5.288 30 10 IKEE Cc1ccc(C=CC(=O)Oc2ccc(C3=CCN(C(=O)c4cccc(C#N)c4)CC3)cc2)cc1 2324391697 CNKBUWFDKIJFFR-UHFFFAOYSA-N 448.522 5.415 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1C 2324451162 IJDLFMAQXVTELK-UHFFFAOYSA-N 448.450 5.264 30 10 IKEE N#C[C@@H](C(=O)C=Cc1ccccc1Cl)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2324534960 TZEXXCYXOVFCEZ-AWEZNQCLSA-N 433.747 6.660 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OCC(=O)NC2CCCCC2)cc1 2324570979 CRBAVZTXGZCKRS-UHFFFAOYSA-N 433.592 6.016 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OCC(=O)N[C@@H](C)c3ccccc3)cc(C)c2C1=O 2325020288 XRSILMHYOIJHBV-IBGZPJMESA-N 427.500 5.176 30 10 IKEE CCCCCCOC(=O)COc1cc(C)c2c(c1)OC(=Cc1cccc(Cl)c1)C2=O 2325027928 YTRZKGVSTZCHLM-UHFFFAOYSA-N 428.912 5.767 30 10 IKEE COc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C(C)C)cc4)ccc3C2=O)cc1 2325312703 TUEOYDMYZXPXFC-UHFFFAOYSA-N 443.499 5.452 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1N=Cc1cccc(OCCC)c1 2325517717 JLIOOFYRRAZMHU-UHFFFAOYSA-N 426.561 5.723 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(O)c(OCC)c1 2325572012 XQIQBPBLFJKREJ-UHFFFAOYSA-N 448.951 5.302 30 10 IKEE CCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccc(OCc2ccccc2)cc1 2325584138 PNMVFGCELVGBNJ-UHFFFAOYSA-N 442.588 5.902 30 10 IKEE Cc1nnc(SCc2cccc3ccccc23)n1N=Cc1cccc(Br)c1 2325631688 IDVLJISJSWMANI-UHFFFAOYSA-N 437.366 5.677 30 10 IKEE CCOc1cc(C=Nn2c(C)nnc2SCc2ccc(Cl)c(Cl)c2)ccc1O 2325642655 DKHORRRTQIFGDN-UHFFFAOYSA-N 437.352 5.172 30 10 IKEE C[C@@H](Oc1ccc(Cl)cc1)C(=O)Oc1cccc(C=CC(=O)c2ccccc2Cl)c1 2325717649 HHPPYZGFRJDRAG-MRXNPFEDSA-N 441.310 6.262 30 10 IKEE CCc1cccc(CC)c1NC(=O)COc1ccc2c(c1C)OC(=Cc1cccs1)C2=O 2325718915 UBUIYVKDGREFSW-UHFFFAOYSA-N 447.556 5.815 30 10 IKEE COc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2325731397 JFTOOOVQHJWPAX-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cccc(OC(=O)CCCOc3ccccc3C)c2)c1 2325740540 BJKLRSCAIONFFE-UHFFFAOYSA-N 428.528 6.273 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1OC(=O)CCCOc1cccc(C)c1 2325751054 XTKUDZMYHNGMND-UHFFFAOYSA-N 448.490 5.803 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)c2)cc1C 2325760632 LGKZHNGAYZWZNV-BJKOFHAPSA-N 430.931 6.562 30 10 IKEE CCCSc1nnc(CCc2ccc(OCC)c(OC)c2)n1N=Cc1ccc(C)cc1 2325893932 LGYISLXSXMLXHR-UHFFFAOYSA-N 438.597 5.163 30 10 IKEE C=CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccccc1OC 2326136841 UZLGTGDLPQLKRU-UHFFFAOYSA-N 442.972 5.296 30 10 IKEE Clc1ccccc1CSc1nncn1N=Cc1c(Cl)ccc(Cl)c1Cl 2326539950 XSNIMZXLOFFDSN-UHFFFAOYSA-N 432.163 6.066 30 10 IKEE CCCSc1nnc(COc2ccccc2OCC)n1N=Cc1ccc(OCC)cc1 2326848568 KQMWUKXPCXAYKY-UHFFFAOYSA-N 440.569 5.039 30 10 IKEE CCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1ccc(Cl)cc1Cl 2326991874 PONFCEIOVKINAH-UHFFFAOYSA-N 449.407 5.899 30 10 IKEE CCCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1cccc2ccccc12 2327026512 PBCQNVJLSLHEJT-UHFFFAOYSA-N 444.604 6.136 30 10 IKEE C=CCSc1nnc(CCc2cccc(OC)c2)n1N=Cc1ccccc1OCCC 2328651498 CYRNZQPUVYIBGA-UHFFFAOYSA-N 436.581 5.021 30 10 IKEE Cc1cccc(CSc2nnc(CCCOc3ccccc3)n2N=Cc2cccs2)c1 2328724524 ZRIPNBUJTHXXFS-UHFFFAOYSA-N 448.617 5.834 30 10 IKEE Fc1ccccc1CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccccn1 2329101393 YABPCLRSIUOTJV-UHFFFAOYSA-N 437.931 5.231 30 10 IKEE COc1cccc(C=Nn2c(SCc3cccc(C)c3)nnc2-c2ccccc2Cl)c1 2329551358 MADPGDCLUIUXMA-UHFFFAOYSA-N 448.979 6.090 30 10 IKEE COc1cccc(C=Nn2c(Cc3ccc(C)cc3)nnc2SCc2ccccc2)c1O 2329995142 CZXYUJAIPCUJQX-UHFFFAOYSA-N 444.560 5.066 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2ccccc2F)cc1 2330002377 IPDRGBLXMQJLAF-UHFFFAOYSA-N 430.552 5.533 30 10 IKEE Cc1cccc(CSc2nnc([C@@H](C)c3ccccc3)n2N=Cc2ccc(O)c(O)c2)c1 2330075781 QOJZMIKEVBLRQC-SFHVURJKSA-N 444.560 5.324 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccccc3)nnc2-c2cccs2)c1OC 2330582256 MMYGWGMPXMTDSK-UHFFFAOYSA-N 436.562 5.198 30 10 IKEE COc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2-c2ccccc2)cc1 2330692519 FPVXJCFQTSVGJW-UHFFFAOYSA-N 434.952 5.782 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)c(F)c3)c(Cl)c2)c1 2330781152 QISYCJKFCVSVKA-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CC(C)(C)C)nnc1SCc1ccccc1F 2330845679 MPYWDAZWHYZECE-UHFFFAOYSA-N 438.572 5.745 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3cccnc3)c(OC)c2)cc1C 2330852043 FEFBFRLYBQKJQV-UHFFFAOYSA-N 437.879 5.176 30 10 IKEE FC(F)(F)c1nnc(SCc2ccccc2)n1N=Cc1c(Cl)cccc1Cl 2331136346 KBVKZFQQRCDCJX-UHFFFAOYSA-N 431.270 5.778 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc(C=CC(=O)c2ccccc2)cc1Br 2331167871 IYNVUKYJQPSGRB-UHFFFAOYSA-N 427.338 6.221 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc(C)cc(C)c3)c([N+](=O)[O-])c2)cc1 2331201070 JYDMEOIUMGXGRF-UHFFFAOYSA-N 445.471 5.726 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(-c2ccco2)n1N=Cc1cccc(Cl)c1 2331235099 PMAQGXRWAZIQDO-UHFFFAOYSA-N 447.322 6.159 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2OC)cc1 2331236730 YYLAHLQQIOUNSV-UHFFFAOYSA-N 442.555 6.309 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)Cc1ccc(F)cc1 2331259898 PNGXVBVPXMEIDF-UHFFFAOYSA-N 434.463 5.196 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])c1 2331527617 KYBDXEMDHSMDCK-UHFFFAOYSA-N 433.435 5.395 30 10 IKEE CCCOc1ccc(C=Nn2c(COC)nnc2SCc2c(F)cccc2Cl)cc1 2331618377 UQUIJAHZQZGOQA-UHFFFAOYSA-N 448.951 5.180 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1 2331643632 KFDUOYPMLZHYPR-UHFFFAOYSA-N 428.528 5.973 30 10 IKEE CCC(=O)Oc1c(Br)cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1OC 2331667845 CPQOJWRKTOWJHR-UHFFFAOYSA-N 447.325 5.295 30 10 IKEE COc1cc(C(=O)C=Cc2ccc(OC(=O)c3ccco3)c(Cl)c2)c(OC)cc1Cl 2331688977 ZUKPPKMNIMRNNG-UHFFFAOYSA-N 447.270 5.719 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cc(OC)c(OC(=O)c3ccccc3)c(OC)c2)cc1C 2331836402 AXFXNNOFRJWQNT-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE CC1(C)OB(c2ccc(COCc3ccccc3Cl)cc2Br)OC1(C)C 2377329032 IJHZDNYHNVXQSN-UHFFFAOYSA-N 437.570 5.119 30 10 IKEE CC(C)(c1ccccc1)c1ccc(OCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 1932452 ISYHTPKTNIDPOR-UHFFFAOYSA-N 430.573 5.842 30 10 IKEE O=C1CCCC2=C1[C@H](c1ccc([N+](=O)[O-])o1)Nc1ccc(C(=O)c3ccccc3)cc1N2 4165203 MIXRBHVLJOQBJI-QHCPKHFHSA-N 429.432 5.005 30 10 IKEE Cc1ccc(C(=O)Nc2cccc(/C=C(/C(=O)c3ccccc3)C(=O)C(F)(F)F)c2)cc1 9349238 SNXHIMZJNQDTNS-QNGOZBTKSA-N 437.417 5.645 30 10 IKEE CCC(C)(C)C1C/C(=C\c2c(F)cccc2Cl)C(=O)/C(=C/c2c(F)cccc2Cl)C1 20115622 JFSGZAUVNZMMQS-WXUKJITCSA-N 449.368 8.154 30 10 IKEE CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccc(OC)c2)C3)cc1 21230769 SCLZYVNLKPVKSU-MMTVBGGISA-N 440.543 6.073 30 10 IKEE CCc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(N(C)C)cc2)C3)cc1 21247749 UHDWQMIDCMXSKD-KPURRNSFSA-N 437.587 6.295 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccc(Oc3cccc(C)c3)cc2)nnc1-c1ccco1 29549032 ZCBGHFRTHWKNIZ-UHFFFAOYSA-N 446.532 5.556 30 10 IKEE COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C/c2c(Cl)cccc2Cl)C3=O)c1 33888530 YKGHXVCGJISTFP-CIAFOILYSA-N 441.266 5.837 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)c(C)c2)[C@@H]1c1ccccc1F 40091775 LYZSIXLJTUCFOP-QFIPXVFZSA-N 425.500 5.301 30 10 IKEE Cc1onc(-c2ccccc2Cl)c1C(=O)NCC#CCOc1cccc(C(F)(F)F)c1 90730456 SQZBUXAURQWZGQ-UHFFFAOYSA-N 448.828 5.134 30 10 IKEE Cc1c(C(=O)Nc2ccccc2[N+](=O)[O-])oc2c1/C(=N\Nc1ccccc1)CC(C)(C)C2 101109020 ILLVJJDHERAXRM-IMRQLAEWSA-N 432.480 5.537 30 10 IKEE CN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2)S/C1=N/c1cccnc1 101124612 ADQSDFHWWSSKLD-DISDYRDVSA-N 435.936 5.548 30 10 IKEE CCOC(=O)c1c(C)oc2c1/C(=C\Nc1nc3ccccc3s1)C(=O)c1ccccc1-2 101696563 YJMACYTZBJJSIO-FOWTUZBSSA-N 430.485 5.691 30 10 IKEE CCCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccc(CC)cc1 105449762 ZAYMIISJKVLZAV-UHFFFAOYSA-N 443.760 10.009 30 10 IKEE Cc1cccc(/N=C2/S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2ccccc2)c1 109013719 WLNIKOMTEDTWHC-DIQLGICBSA-N 429.570 6.174 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccc(OC)c2)cc1 169928444 KVIPKGQBLAKNGN-JOCHJYFZSA-N 433.529 5.098 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccc(O)cc2)c1 169961601 GWELHOVVZNHUFD-JOCHJYFZSA-N 449.890 5.227 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2cccnc2)cc1 170005381 FTNKVDVVJZLTMS-JOCHJYFZSA-N 432.907 5.389 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccncc2)c(C)c1 170016345 HOGOCDBQFNJDON-XMMPIXPASA-N 442.515 5.305 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@H]2c2ccncc2)c1 170021130 XZXFNNSWHDFXSM-DEOSSOPVSA-N 436.467 5.026 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccccc2)c1 170048929 ZVVJNPKQJMXSPV-XMMPIXPASA-N 427.500 5.602 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(Cl)cc2)cc1 170057405 LXVIHAUZQRKHQX-JOCHJYFZSA-N 435.882 5.824 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccccc2C)cc1 170089241 JMSRZORDFZHJLE-DEOSSOPVSA-N 445.490 5.624 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1cccc(OC(C)C)c1 170153388 QSSUAEDTVIFCQD-HSZRJFAPSA-N 437.536 5.249 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2cccs2)c1 170156177 UKHCZPBKGNNCDE-HXUWFJFHSA-N 434.473 5.056 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1cccs1 170159517 WRZYSAPTXJSVRE-OAQYLSRUSA-N 433.529 5.465 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2cccnc2)cc1 170185276 ZMIKZMCBXGCDCD-DEOSSOPVSA-N 442.515 5.270 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2)[C@@H]1c1ccc(OCC)cc1 170214395 FUHCKBAOWKECIA-QHCPKHFHSA-N 437.536 5.253 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccccc2)c1 170226752 JLKNSEMCQZPKGJ-QHCPKHFHSA-N 447.918 5.912 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2)c1 170227063 LAXCNTPAGQUSDW-QHCPKHFHSA-N 447.918 5.830 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(F)cc1 170244228 CGUBIPYPPYYMJR-HSZRJFAPSA-N 435.539 5.953 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccccc2F)cc1 170249432 FXHJIOCJDKUUQN-DEOSSOPVSA-N 445.490 5.704 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2c[nH]c3ccccc23)cc1 170256486 AFGYBQLTAMFLNE-HSZRJFAPSA-N 430.504 5.088 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cc3cc(Cl)ccc3o2)=C(O)C(=O)N1c1ccccc1 170272277 FAJPHOKJQNRUOH-QHCPKHFHSA-N 443.886 6.178 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccccc2C)cc1 170272560 GNUIWKWQSIVARA-SANMLTNESA-N 433.507 6.240 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4C)[C@@H]3c3ccc(C)o3)oc12 170305658 IQOSKNCRFOOCCW-JOCHJYFZSA-N 443.455 5.434 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2sccc2C)cc1C 170315579 ANYGWTUBNUGBKY-OAQYLSRUSA-N 433.529 5.465 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2ccc(OCC(C)C)cc2)c1 170349949 CJYZBUSYCOPANU-XMMPIXPASA-N 442.515 5.208 30 10 IKEE CCOc1cc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(C)c(C)c2)ccc1OC 170440099 XUDJADVRVFFBSS-DEOSSOPVSA-N 437.536 5.226 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 170469476 NRTQTNAWXIPLDI-RUZDIDTESA-N 449.591 6.287 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(OCc3ccccc3)cc2)[C@@H]1c1cccs1 170476160 YKAGFYRELCQJRS-XMMPIXPASA-N 447.556 5.842 30 10 IKEE C=C(Br)COc1c(Br)cc(Br)cc1Br 196235260 RLPZXGWCSHFKJI-UHFFFAOYSA-N 449.762 5.262 30 10 IKEE O=C(/C=C\c1cccc([N+](=O)[O-])c1)c1ccc(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 207017193 XWHZJYRQVLXHNM-MFUUIURDSA-N 428.400 5.295 30 10 IKEE Cc1ccccc1N=C1S/C(=C/c2c(F)cccc2Cl)C(=O)N1c1ccccc1C 252593547 BKUSRCLCTMTBJE-MBTIHVDPSA-N 436.939 6.905 30 10 IKEE CN1C(=O)/C(=C/c2ccccc2OCc2ccccc2)SC1=Nc1ccc(C(=O)O)cc1 254814442 FTZSQGZINRKOTN-JXJWTFEASA-N 444.512 5.198 30 10 IKEE CC1=CC(=O)C(=O)C2=C1O[C@]1(C2)[C@H](C)CC[C@H]2[C@]1(C)CC[C@@H]1C(C)(C)[C@@H](O)CC[C@]12C 257474440 LLWMPGSQZXZZAE-QCONMZPWSA-N 426.597 5.147 30 10 IKEE C=CCN(C[C@H](Cc1c(F)ccc(Br)c1F)NCCC)C(=O)OC(C)(C)C 407408604 LNEHEMUHHQSPAS-AWEZNQCLSA-N 447.364 5.061 30 10 IKEE CCOc1cc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)ccc1OC 526514570 FDABULQMLKMDAS-XMMPIXPASA-N 444.462 5.162 30 10 IKEE COc1cc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccco2)ccc1OCC(C)C 526520464 HFPOVAHNPSAHOM-DEOSSOPVSA-N 444.487 5.252 30 10 IKEE CCOc1c(Cl)cc(/C=N\n2cnnc2SCc2ccccc2F)cc1Cl 526802202 BNFWXKKAQXTTLC-AQHIEDMUSA-N 425.316 5.297 30 10 IKEE CCOc1cc(/C=N\n2c(C)nnc2SCc2ccccc2F)cc(Cl)c1OCC 526803262 VATOHJXTOURAID-MSXFZWOLSA-N 448.951 5.351 30 10 IKEE CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1c(Cl)cccc1Cl 526828437 DDPNZKWCBXIUCF-FBHDLOMBSA-N 436.324 5.230 30 10 IKEE C=CCN(c1ccc(OCC)c(OCC)c1)S(=O)(=O)c1ccc(CCCCCC)cc1 586237341 YAPMGTHKXBUYAN-UHFFFAOYSA-N 445.625 5.988 30 10 IKEE C=CCN(CC=C)C(=O)c1cccc(NC(=O)Nc2ccc(Br)c(C)c2)c1 586722449 DOIBMZRKBNKAOB-UHFFFAOYSA-N 428.330 5.216 30 10 IKEE COc1ccc(F)cc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 698482495 OOYRTMCMVOKXGV-QGZVFWFLSA-N 435.293 5.603 30 10 IKEE C[C@H]1C[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C 698909835 LFTXZNSEVJHMBY-AOMKIAJQSA-N 435.590 5.167 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 699659006 LYUSMQRLXPTZDP-KBMIEXCESA-N 443.588 5.666 30 10 IKEE Cc1nn(Cc2ccccc2Cl)c(C)c1C=NN(Cc1ccccc1)c1ccccc1 1084146336 LRCDPKHEQKKADZ-UHFFFAOYSA-N 428.967 6.242 30 10 IKEE CC(CC(C)C)=NNc1nc(SCC(=O)N(C2CCCCC2)C2CCCCC2)n[nH]1 1084155410 JGTLHGBSSIZYDP-UHFFFAOYSA-N 434.654 5.225 30 10 IKEE C=CCN(Cc1ccccc1F)C(=O)CNc1nc(C)nc2sc(-c3ccccc3)cc12 1630879271 ZERSNJVFMCVXGB-UHFFFAOYSA-N 446.551 5.433 30 10 IKEE C=CCC1(NC(=O)CSCc2nc(O)c3c(-c4ccccc4)csc3n2)CCCC1 1632958468 YVHHSRBWFCTDOH-UHFFFAOYSA-N 439.606 5.302 30 10 IKEE Cc1cnc(O)n1-c1ccc(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)cc1 1635553118 FNAJYSVYJVRFPJ-UHFFFAOYSA-N 426.501 5.162 30 10 IKEE CC(/C=C1\SC(=Nc2cccnc2Cl)N(C2CCCCC2)C1=O)=C\c1ccccc1 1772734597 QBLZUOUUZBQXBP-QQMIVBAUSA-N 437.996 6.618 30 10 IKEE Cn1cccc1/C=C1/SC(=Nc2nc(-c3ccccc3)cs2)N(C2CCCCC2)C1=O 1772738096 ORNBYCMEBSCLMN-LLLXPECQSA-N 448.617 6.085 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)Cc1cc(OC)ccc1Cl 1860979410 PXQBSXRFVCAMHG-NRFANRHFSA-N 425.013 5.043 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc3c(c2)CCCC3)n(Cc2cccc(F)c2)n1 1862359386 UCGCZXPEZQKQBN-UHFFFAOYSA-N 429.539 5.431 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CC(C)C)cc1 1862385849 ZHPWVDGMIGLHHW-HXUWFJFHSA-N 432.347 5.790 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccccc1Cl)c1cccc(Cl)c1 1862446084 KWOCVAJTACRAHO-NRFANRHFSA-N 444.358 6.295 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C(C)C)cc1 1862477015 HOIDLQMVLXRGCU-SANMLTNESA-N 447.619 7.057 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1 1862477446 XEMODCFPFYUFMO-HSZRJFAPSA-N 439.983 6.587 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cc(C)ccc2C)c1 1862477572 ZGWDSWQXAMQCQK-VWLOTQADSA-N 441.527 5.399 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2cccc([N+](=O)[O-])c2)c1 1862491775 BOKCNRHXLZXIRG-LXBDKUERSA-N 448.519 5.369 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(C(=O)OC)cc1 1862494377 LXLNSELUCHFWMC-QHCPKHFHSA-N 449.547 5.249 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2cccc(Cl)c2)cc1 1862535539 FJHSZSKGZYPVIP-QHCPKHFHSA-N 449.909 5.820 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1cc(Cl)cc(Cl)c1)c1ccc2c(c1)CCCC2 1862554304 ZMXULKVJGKWVIO-NRFANRHFSA-N 442.342 5.613 30 10 IKEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CC(C)C)cc1 1862619906 GHWUQLCCBSLLOE-JOCHJYFZSA-N 449.547 5.005 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(F)cc1 1862661053 CDZMEWKPBSWBAF-QHCPKHFHSA-N 439.527 5.343 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc(Cl)c2)cc1 1862661519 QZIYYNNREBYMNL-HSZRJFAPSA-N 437.967 6.374 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2ccc(Cl)cc2Cl)cc1 1862667818 KUWRQPSTDSBYTR-XCLFUZPHSA-N 448.346 5.076 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2Cl)cc1 1862689303 NEYHOZAYRYZMJE-HXUWFJFHSA-N 439.920 5.189 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2cc(Cl)cc(Cl)c2)cc1 1862690847 VAAOZRGBKLUWKL-HXUWFJFHSA-N 448.346 5.626 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(Cl)cc1 1862712767 YZTKEMQUMRZNEE-QHCPKHFHSA-N 449.934 5.498 30 10 IKEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccccc2C)cc1 1862732704 JOYVJKXSUXKZHY-RUZDIDTESA-N 449.591 6.331 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 1862746594 CGVHHEQQXCHICO-SIKLNZKXSA-N 436.508 5.532 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1Cl 1862759958 CAASBJRKDNQDKH-SFHVURJKSA-N 449.290 5.136 30 10 IKEE CCCOc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(C)cc3)C2=O)cc1 1862973881 KYKWXSXLVJNRJU-UHFFFAOYSA-N 437.499 5.052 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(F)c(C)c3)C2=O)cc1C 1863087216 CBSBBKVAEGLMKV-UHFFFAOYSA-N 425.463 5.019 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2F)C(=O)N(CCc2ccc(F)cc2)C1=O 1863635743 DZIOOULAQRXMOA-UHFFFAOYSA-N 440.534 5.238 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(Br)cc1 1866029788 HTNBBWQXAAUPEE-UHFFFAOYSA-N 438.494 8.649 30 10 IKEE CCN(CCCC(=O)Nc1ccc(C#N)cc1C(=O)c1cccc(C)c1)c1ccccc1 1866173667 PYTMTHFKYZVYEY-UHFFFAOYSA-N 425.532 5.343 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N1[C@@H]2CCCC[C@@H]2[C@H]2CCCC[C@H]21 1866342525 OIEVPQUPYILDBG-CXDXLJMYSA-N 445.776 9.208 30 10 IKEE CC(C)(C)c1nc(Nc2cccc(C#N)c2)cc(N2CC[C@H](c3ccc4c(c3)OCO4)C2)n1 1868333361 HOSQGLUMTLUJMR-IBGZPJMESA-N 441.535 5.112 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3ccccc3[C@H]2c2cccc(Cl)c2)nc(C)n1 1869287708 OIVDRSBPBBFZHA-AREMUKBSSA-N 430.983 5.769 30 10 IKEE N#Cc1nnn(Cc2cccc3ccccc23)c1NC(=O)c1cccc(Oc2ccccc2)c1 1870109647 AYCKYTDYIXSYJV-UHFFFAOYSA-N 445.482 5.396 30 10 IKEE CCCCCCCCn1cc(OCCCCCC)c(=O)cc1CSCc1ccccc1 1870186772 SDQMWIJEUSQUHM-UHFFFAOYSA-N 443.697 7.601 30 10 IKEE CCCCCCCOc1cn(CCCOC)c(CSc2ccc(Cl)cc2)cc1=O 1870252190 HUWDVOQVSUCUFB-UHFFFAOYSA-N 438.033 6.180 30 10 IKEE CCCCCCCCn1cc(OCCCCCC)c(=O)cc1CN1C[C@H](C)C[C@@H](C)C1 1870676969 NFTCXACDRJHLAK-DNQXCXABSA-N 432.693 6.646 30 10 IKEE C=CCn1cc(OCc2c(F)cccc2Cl)c(=O)cc1CNc1ccc(C)c(F)c1 1871089726 ZEJMYYISUQOPHC-UHFFFAOYSA-N 430.882 5.465 30 10 IKEE C=CCn1cc(OCCc2ccccc2)c(=O)cc1CNc1ccc(N(CC)CC)cc1 1871141162 FMUKKHJTTQWGRC-UHFFFAOYSA-N 431.580 5.114 30 10 IKEE CCCCCCCCN=c1nc2c(cnn2C)c(Nc2cc(C)ccc2OCC(C)C)[nH]1 1871295156 IIESPXOIDOYKIE-UHFFFAOYSA-N 438.620 5.644 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc3C2=O)c1 1871376806 ZDIVOFKSCFBKNH-YSMPRRRNSA-N 436.463 5.613 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(OCC)cc4)ccc3C2=O)cc1 1871386627 FHXPNSPREBFNFI-IWIPYMOSSA-N 430.456 5.319 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(C)c2)C3=O)c1 1871389831 QEEQJUHXEQNFMW-IWIPYMOSSA-N 426.468 5.704 30 10 IKEE Cc1cc(OC(=O)CCc2cccs2)cc2c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O2 1871392310 VJEFROKQIRMJCU-NDENLUEZSA-N 435.457 5.119 30 10 IKEE CCCCCCOc1cc(C)c2c(c1)O/C(=C\c1cn(CC)c3ccc(OC)cc13)C2=O 1871399843 XIBIGIQSFMEINP-QFEZKATASA-N 433.548 6.554 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccc(F)cc4)cc(C)c3C2=O)cc1 1871400677 IFBSHOYRLJVSKY-ICODJCHTSA-N 431.463 5.465 30 10 IKEE C[C@H](Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O)C(=O)Nc1ccccc1Cl 1871403907 COLQAZFHIOWGJP-ADOVHSPRSA-N 445.902 5.918 30 10 IKEE Cc1oc2cc(OCc3ccccc3C#N)ccc2c(=O)c1-c1ccc(Cl)c(Cl)c1 1871437138 JIKDEYATMHHBQU-UHFFFAOYSA-N 436.294 6.526 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)c(C)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1871910781 MAPFKOCUVSNUTE-YADARESESA-N 442.625 5.232 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1ccccc1 1872220979 WWMJAQJXXAHGRV-HSZRJFAPSA-N 442.625 5.358 30 10 IKEE C=CCN([C@@H](CC)C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)S(=O)(=O)c1cccs1 1872327670 RNJHXCDXULAJHI-NRFANRHFSA-N 448.654 5.589 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 1872456315 GZQFOOAAGUPGAB-OAQYLSRUSA-N 434.989 5.023 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3c(Cl)ccc(Cl)c3Cl)n2)cc1 1872764588 RFMITIGALOGCDJ-LBPRGKRZSA-N 437.735 6.269 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccc(Cl)cc3)n2)cc1F 1872774855 DMDSYTRKEDMRJE-BLLLJJGKSA-N 430.888 5.255 30 10 IKEE COc1c(Cl)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)Cc2ccc(C)c(C)c2)n1 1872778223 GVJHEXJLYJXLLC-KRWDZBQOSA-N 445.371 6.161 30 10 IKEE CCOc1ccc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc1OC 1872779771 RANDQYDFMAIZSG-INIZCTEOSA-N 442.487 5.305 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)CCOc3ccccc3)n2)c2ccccc12 1872789010 WLWVRWLLTFQYHA-NRFANRHFSA-N 428.513 5.617 30 10 IKEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2[nH]1 1872808941 CYZZCBQJJOOOFO-UHFFFAOYSA-N 447.922 5.921 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H](C)CC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168556 ZMZMILPHTFQWBN-HXUWFJFHSA-N 449.639 5.923 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1cccc2[nH]ccc12 1873500911 OKVTWWHOJOFOEU-BRJLIKDPSA-N 444.391 6.193 30 10 IKEE C=CCOc1ccccc1OCc1nc2ccccc2n1CC(=O)N[C@H](C)c1ccccc1 1873515982 IGDIKXOKECLTQA-HXUWFJFHSA-N 441.531 5.058 30 10 IKEE C=CCn1c(C(=O)Nc2ccccc2CC)cc2c(NCc3ccc(C)cc3)ncnc21 1873641892 RNYLCEPHGMYNPQ-UHFFFAOYSA-N 425.536 5.353 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cc3ccccc3)cc2)cc2c(N(CC)CC)ncnc21 1873670758 OQAVJVLCRUBIOW-UHFFFAOYSA-N 439.563 5.307 30 10 IKEE CCCCCCc1c(C)c2ccc(O[C@@H](C)C(=O)Nc3cccc(C#N)c3)c(C)c2oc1=O 1873867380 OWPJYQKMCAYUGX-IBGZPJMESA-N 446.547 5.810 30 10 IKEE CCCCCCCCNC(=O)[C@H]1c2ccccc2C(=O)N([C@H](C)CC)C12CCCCC2 1873885957 ATADWCIECKWOOK-ZJSXRUAMSA-N 426.645 6.204 30 10 IKEE C=C(C)CSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1ccc(C(C)C)cc1 1874288058 LQZCRWJTGGIVKM-WPWMEQJKSA-N 438.685 7.416 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2sccc2C)c(C)c1 1874327369 KLSXZNLFGLQLGO-AFUMVMLFSA-N 448.617 6.018 30 10 IKEE CCCSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1cccc2ccccc12 1874331705 AVWDMWGHFGXLFY-OVVQPSECSA-N 428.605 6.218 30 10 IKEE Cc1ccsc1/C=N/n1c(CCOc2ccccc2)nnc1SCCc1ccccc1 1874346344 KIKJUJXKJBXCIK-XIEYBQDHSA-N 448.617 5.487 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3ccccc3C)nnc2[C@@H](C)c2ccccc2)cc1 1874392436 LWRQVFIYQFUILR-PWIYWSIBSA-N 440.616 6.475 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3)n2/N=C/c2cccs2)c1 1874403292 YILMVTIRMVZZLE-PCLIKHOPSA-N 432.618 5.916 30 10 IKEE Clc1cccc(/C=N/n2c(CCc3ccccc3)nnc2SCCc2ccccc2)c1 1874403731 PGODZJUDQGOYIY-ZXVVBBHZSA-N 447.007 5.934 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2cccc([N+](=O)[O-])c2)c1 1874415961 QJNHGHLUFSIXBW-PCLIKHOPSA-N 443.532 5.260 30 10 IKEE Fc1ccccc1CSc1nnc(-c2cccs2)n1/N=C/c1c(F)cccc1Cl 1874422496 OXPZYWFSYFAMIM-BHGWPJFGSA-N 446.935 6.113 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccccc2C)n1/N=C/c1ccccc1Cl 1874478424 ZPLQNOVIHHXXCK-ZVHZXABRSA-N 441.988 5.196 30 10 IKEE COc1cc(/C=N/n2c(SCc3ccccc3)nnc2C(C)(C)C)cc(Cl)c1O 1874481669 ILHAGRUPEJRDDW-FSJBWODESA-N 430.961 5.118 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2cc(C)cc(C)c2)cc1 1874579651 ZYAMALBTBYKAFJ-CSKARUKUSA-N 433.935 6.179 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1C 1874591247 ABGWGDUGWSZKHW-VQHVLOKHSA-N 441.354 7.094 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccccc1OCC(=O)Nc1cccc(C)c1 1874592195 RMDYYBFNVSHDGW-ZRDIBKRKSA-N 435.907 5.571 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc(F)c2)c([N+](=O)[O-])c1)c1ccc2ccccc2c1 1874603031 HMBNSROLFPFBCZ-XYOKQWHBSA-N 427.431 6.362 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)c(Cl)c2)cc1 1874609179 CAPZCEKSRFVFRI-QKAYDNCFSA-N 449.934 5.501 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1 1874609774 JJNIGWFTEDXQID-JLHYYAGUSA-N 444.369 5.373 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OCc2cccc(Cl)c2)c(Cl)c1 1874619726 PIHXNSDPGXFRPC-VQHVLOKHSA-N 427.327 6.786 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2OC)cc(OC)c1OCc1ccccc1 1874619798 SYMHQAJHCIWNRB-BUHFOSPRSA-N 428.528 6.216 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1Cl)NC1CCCCC1 1874623497 FZSQBBWNWJVBSU-FYWRMAATSA-N 447.962 6.217 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OCc2ccccc2Cl)cc1 1874624638 NBVBMCFOZLXCJJ-RVDMUPIBSA-N 434.963 7.121 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3F)cc2)cc1 1874625496 HWRFQBRWCMOTJC-DEDYPNTBSA-N 446.562 7.650 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)c1 1874630148 NLGQBJMWEOPGLJ-SDNWHVSQSA-N 446.543 6.276 30 10 IKEE CCOc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(OCC)cc3)c2)cc1 1874701535 XVFOVZNGMNNKHM-LICLKQGHSA-N 430.500 5.528 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1OC(=O)Cc1ccc(F)cc1 1874710881 LSWXFAOMSXEPER-YRNVUSSQSA-N 448.490 5.504 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1OC(=O)c1cc(C)cc(C)c1 1874711137 QTDBCSINJOASCQ-CSKARUKUSA-N 442.555 6.661 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)CC2CCCCC2)c1 1874715325 OEYWKZZSSSERMD-VAWYXSNFSA-N 426.940 6.429 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)c2cccc(Cl)c2)c1 1874716099 APENTEUSMXPGBH-MDZDMXLPSA-N 441.310 6.426 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](C)CSc2nnc(COc3ccccc3Cl)n21 1875057771 KIRFSNGFXNREHN-INIZCTEOSA-N 437.009 5.220 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@@H]2CCCO2)c(Cl)c1)c1ccc(-c2ccccc2)cc1 1875078727 ZXQHOHWRNJLMLI-RARRKCLYSA-N 432.903 5.988 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2-c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 1875085022 LKAOJSBBSRYBEU-OBGWFSINSA-N 449.462 6.377 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)Cc1ccc(F)c(C)c1 1875095117 ZONKWPXSXYUJAN-JXMROGBWSA-N 449.434 5.095 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc3ccccc23)c(Cl)c1)c1cccc(Cl)c1 1875121257 HOCXKKSZMHJDOS-ACCUITESSA-N 447.317 7.262 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC(=O)c1sccc1C 1875122384 YTKULKQOOPBABB-VQHVLOKHSA-N 426.921 6.224 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1 1875122961 PWLKMDLRFWFRGL-PJQLUOCWSA-N 425.311 6.428 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3ccccc3C)cc2)cc1 1875129467 DJZRFNUQVZBMHX-XDHOZWIPSA-N 444.527 6.054 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc([N+](=O)[O-])c1OC(=O)CC(C)C 1875134687 GGARZBMZBIHDGU-CSKARUKUSA-N 425.481 5.458 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OCC(C)C)cc3)cc2)c1 1875137823 GWVLQYHJNYTEQC-CXUHLZMHSA-N 428.528 6.454 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)cc2)c(Cl)c1)c1ccc2c(c1)OCCO2 1875147335 VXDBEKSBCCZMGY-UNXLUWIOSA-N 438.838 5.366 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cccs3)c([N+](=O)[O-])c2)cc1 1875155963 XVUCTKCQQGVQAC-VZUCSPMQSA-N 435.501 5.824 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3C)cc2)c(C)c1C 1875167436 FAMKXYUFDFJHHM-LFIBNONCSA-N 428.528 6.055 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OC 1875182792 VFDRLVODGRHXSY-VAWYXSNFSA-N 442.983 7.046 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3Cl)cc2)cc1Cl 1875187608 VBRQFJJATIZBQQ-XYOKQWHBSA-N 441.310 6.046 30 10 IKEE C=C(Cl)COC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC 1882298219 ONRRUVYYPPAOSG-NYHFZMIOSA-N 427.928 5.236 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]([C@@](C)(C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)C1 1911092900 NTCZCYRNTGJDOS-HOOSLVGPSA-N 435.609 5.532 30 10 IKEE C=CCC1(NCc2c(Cl)cccc2Br)CCN(C(=O)OC(C)(C)C)CC1 1924534185 ADMWQIYCAKFXKJ-UHFFFAOYSA-N 443.813 5.538 30 10 IKEE CC(C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)[C@H](CNC(=O)OC(C)(C)C)CCCC12CCC2 1924819348 VCRGTWGTDCHLCR-UUOWRZLLSA-N 435.609 5.389 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCC2)CC12CCCCC2 1949559453 ANUQTTSQLYCZGX-XMMPIXPASA-N 433.593 5.382 30 10 IKEE CC(C)(C)OC(=O)Nc1c(Br)cc(Br)cc1[C@@H](C=O)C1CC1 1951915009 HJYYNJHPPWQEKT-LBPRGKRZSA-N 433.140 5.251 30 10 IKEE CC1(C)C[C@@H]([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)N(C(=O)OC(C)(C)C)C1 2033721713 AAEAGXNEOGWXDH-OALUTQOASA-N 447.551 5.495 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(Cc3ccccc3)[C@@H](C)C2)cc1 2037530024 YYIILTZXDZMDJV-RXFWQSSRSA-N 435.568 5.384 30 10 IKEE C=CCn1c(C)cc(-c2csc(NC(=O)C=Cc3cc(F)cc4c3OCOC4)n2)c1C 2040488720 XSKFQOHIYIEHOI-UHFFFAOYSA-N 439.512 5.072 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Br)c(Cl)c1 2041574278 KJJRNBAWLNHWQB-SJORKVTESA-N 429.786 5.060 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)c1 2041702759 SGOAOWHPTIAVHS-NXKWYNOOSA-N 441.572 5.561 30 10 IKEE C=C(OC)[C@@H](c1ccccc1)C([C@@H](C(=C)OC)c1ccccc1)n1nnc2ccccc21 2069508151 MXBKNEQHJCUJTC-UIOOFZCWSA-N 425.532 5.860 30 10 IKEE CC(C)(C)c1nn(Cc2cc(F)ccc2C(F)(F)F)c(Br)c1C(F)(F)F 2079834314 GQYJHROGXTWLQB-UHFFFAOYSA-N 447.192 6.168 30 10 IKEE Cc1cc(C)c([C@@H](C)n2nc(C(C)(C)C)c(C=NO)c2I)c(C)c1 2079849540 YXLGQNOYWRSJNT-CQSZACIVSA-N 439.341 5.128 30 10 IKEE CC(C)[C@H](c1ccc(C(F)(F)F)cc1)n1nc(C2CC2)c(C=NO)c1Br 2079854513 JQSMEKIVGLPFJI-MRXNPFEDSA-N 430.268 5.595 30 10 IKEE Cc1cccc(Cn2nc(C3CCCCC3)c(C#N)c2Br)c1Br 2080308022 NFUXPEKQXJSGPM-UHFFFAOYSA-N 437.179 5.684 30 10 IKEE CCCCC#CC[C@@H](NCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2083448061 QOHASQRGVZQFRB-XMMPIXPASA-N 441.660 5.108 30 10 IKEE C=CCCCCCC[C@H](NC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2085838410 CVPVDTMORSQQEU-IGKIAQTJSA-N 444.660 5.945 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cccc(Br)c1Cl 2136572270 ZRAOIVGESFGTQY-FUHWJXTLSA-N 443.813 5.450 30 10 IKEE C#CC(C)(C)C[C@H](NCCC)c1ccc(Br)cc1I 2142287171 LPKFGBXGYNDCBV-HNNXBMFYSA-N 434.159 5.144 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(CNc3ccc(C#N)c(Br)c3F)CCC[C@H]12 2162400976 AICQEHSHPUZVTE-YWZLYKJASA-N 438.341 5.051 30 10 IKEE CC(C)(C)OC(=O)NCCCc1cccc(Nc2cc(Br)cc(C#N)c2)c1 2204098336 WUYWWUHAYCPDRT-UHFFFAOYSA-N 430.346 5.522 30 10 IKEE C=CCN(CC(=C)Br)C(=O)c1cc(Cl)ccc1NC(=O)OC(C)(C)C 2223966638 BKXRWLWQKGDGPO-UHFFFAOYSA-N 429.742 5.224 30 10 IKEE C#CCCCCC[C@@H](NC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237398196 KSEYACQADDRSID-WOJBJXKFSA-N 437.422 5.057 30 10 IKEE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)C(=O)C1=CCCCCCC1 2237403508 VRDFOQCOJKCNOD-LJQANCHMSA-N 436.390 5.735 30 10 IKEE C=CCCC1([C@H](O)c2sc(Br)c(C)c2C)CN(C(=O)OC(C)(C)C)C1 2254925706 RNAUYIQNHXXAHQ-OAHLLOKOSA-N 430.408 5.364 30 10 IKEE CC#CCC[C@@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2262546083 WLKSAKFVEKHONR-AREMUKBSSA-N 429.560 5.665 30 10 IKEE CCN1C(=O)C(=C2Sc3ccccc3N2C)SC1=Nc1cc(Cl)ccc1OC 2295201868 JBRJJQPSKPEIBD-UHFFFAOYSA-N 431.970 5.343 30 10 IKEE CCOc1cccc(C=C2SC(=Nc3cccc(C)c3)N(c3cccc(C)c3)C2=O)c1O 2296826772 PINVISQOLIUBCR-UHFFFAOYSA-N 444.556 6.216 30 10 IKEE CCN1C(=CC2=S=C(C=Nc3ccccc3)C(=O)N2CC)SC=C1c1ccccc1 2297616382 PDAJQEZGOZGVNW-UHFFFAOYSA-N 433.602 5.195 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@H](C#N)[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C 2299161317 JBVGOLHAKKHIDM-MSOLQXFVSA-N 449.979 5.619 30 10 IKEE C=CC[C@@H]1CCC[C@H]1NCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2315454433 XASQOXYWYQROKR-KAYWLYCHSA-N 427.588 6.679 30 10 IKEE CCCOc1c(Br)cc(C=NNc2nc(C)c(C(C)=O)s2)cc1OCC 2318418050 OFOCOWMJUPIDLB-UHFFFAOYSA-N 440.363 5.050 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C2CC2)cc1 2320920955 DOORKUVVOUITMW-UHFFFAOYSA-N 430.936 5.521 30 10 IKEE O=C1C(=Cc2ccc(Br)cc2)Oc2c1ccc1c2CN(C2CCCC2)CO1 2322016072 KOUQMQCQWAXTHB-UHFFFAOYSA-N 426.310 5.160 30 10 IKEE COc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(CCCc1ccccc1)C3 2322214500 JFZYNGCTKJKJFJ-UHFFFAOYSA-N 441.527 5.405 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)OC)cc1OCCC 2322502930 LWYNMKFVJXVUBP-UHFFFAOYSA-N 446.927 5.366 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccccc2)c1OCC(=O)Nc1cccc(C)c1C 2322545779 QDQJHPRPEULKFG-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCc3cccc(C)c3)ccc3ccccc23)c(C)c1C 2322818680 DBLYHPFOKDUDFT-UHFFFAOYSA-N 436.551 7.249 30 10 IKEE Cc1cc(OC(=O)Cc2cccs2)cc2c1C(=O)C(=Cc1c(F)cccc1Cl)O2 2322868650 QTEZBHDDJHGLKW-UHFFFAOYSA-N 428.868 5.613 30 10 IKEE COc1cc(C=NNc2ccc(Cl)cc2)ccc1OCc1ccc(Br)cc1 2322952817 HIKKNJKVIRRGKZ-UHFFFAOYSA-N 445.744 6.136 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1OCC(=O)OCC(C)C 2323072438 BZUASQKYKFDAHZ-UHFFFAOYSA-N 437.319 5.476 30 10 IKEE CCOc1cc(C=NNc2nc(C)cc(O)n2)ccc1OCc1ccc(Cl)c(Cl)c1 2323106080 DHQQTQWQBHTPQN-UHFFFAOYSA-N 447.322 5.221 30 10 IKEE COc1ccc(C=CC(=O)c2cccc3ccccc23)cc1OCc1cccc(Cl)c1 2323202234 UXQGEYLXAGIOGY-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE CSc1nnc(COc2ccccc2)n1N=Cc1ccc(OCc2ccccc2)cc1 2323585276 XMIQCJDSWODOFA-UHFFFAOYSA-N 430.533 5.040 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCc3c(F)cccc3Cl)c(OC)c2)cc1 2323842668 GXYSKBMMZYNOTR-UHFFFAOYSA-N 440.898 6.362 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(OC)c1OCC(=O)N(CC)CC 2324172906 NSXOAEIMQAMCOS-UHFFFAOYSA-N 449.591 5.690 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccc(OCc2ccccc2Cl)cc1 2324319358 XNSDZKVFGAIOHP-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2)C3=O)cc1Cl 2324352197 RTNHYTIUZMRXLP-MRXNPFEDSA-N 433.891 5.671 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c(OC)c2OC)ccc1OCCc1ccccc1 2324725974 YERRNHJHQDESNY-UHFFFAOYSA-N 448.515 5.239 30 10 IKEE COc1cc(C=Nn2c(Cc3ccccc3)nnc2SCc2cccc(C)c2)ccc1O 2325471479 GGVHVQMNIFZXRW-UHFFFAOYSA-N 444.560 5.066 30 10 IKEE CCOc1cc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2)ccc1O 2325481511 DGUNNPGWNISAEE-UHFFFAOYSA-N 444.560 5.148 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1OC(=O)c1cccc(Cl)c1 2325729719 MYRLSVMUGXPJPI-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(F)cc3)c2)cc1C(C)C 2325753908 HZPHCUYMUYZDBL-UHFFFAOYSA-N 446.518 6.310 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1N=Cc1ccncc1 2325847149 RTLZFVWGWVUXNY-UHFFFAOYSA-N 449.624 5.533 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccc(O)cc1 2326071827 GAHGKIFFYOKGJF-UHFFFAOYSA-N 442.972 5.199 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cccc(OC)c1OC 2326358030 TUQHPKQZIOOUMO-UHFFFAOYSA-N 430.961 5.076 30 10 IKEE CCc1nnc(SCc2ccc(C(=O)OC)cc2)n1N=Cc1c(Cl)cccc1Cl 2326793807 NIMLFLGXMPXSCY-UHFFFAOYSA-N 449.363 5.108 30 10 IKEE Cc1cccc(CSc2nnc(COc3cccc(C)c3C)n2N=Cc2cccn2C)c1 2328828061 CCXBMACFWSPYAZ-UHFFFAOYSA-N 445.592 5.295 30 10 IKEE CCCSc1nnc(COCc2ccccc2)n1N=Cc1ccc(Cl)c(Cl)c1 2329353488 UWKDTDBEADSAKP-UHFFFAOYSA-N 435.380 5.686 30 10 IKEE Cc1ccc(C=Nn2c(CCc3ccccc3C)nnc2SCc2ccccc2C)cc1 2329473348 PSWIRRWDNUPDQL-UHFFFAOYSA-N 440.616 6.163 30 10 IKEE COc1ccccc1C=Nn1c(SCc2ccccc2C)nnc1-c1ccccc1Cl 2329538687 SYRZCEFEXQMPIK-UHFFFAOYSA-N 448.979 6.090 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2Cl)n1N=Cc1cccc(Br)c1 2329568800 XUUHKTHRBSWFHG-UHFFFAOYSA-N 447.789 5.911 30 10 IKEE Cc1ccc(O)c(C=Nn2c(CCc3cccs3)nnc2SCCc2ccccc2)c1 2329668918 YMMQPTNNEHBZCE-UHFFFAOYSA-N 448.617 5.356 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCCc2ccccc2)n1N=Cc1ccc(F)cc1F 2330111105 QZRZHZCQZKIJIS-SFHVURJKSA-N 448.542 5.925 30 10 IKEE Oc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2-c2ccccc2)cc1 2330707154 DJSGLBBUFWYSGV-UHFFFAOYSA-N 438.915 5.618 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(-n4cccc4)cc3)cc2)cc1 2330824677 OHLZKOXQYUNZID-UHFFFAOYSA-N 449.550 6.935 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(CCCC)cc2)cc1Cl 2330832910 NDZNZGSMDYWINW-UHFFFAOYSA-N 426.984 7.455 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1C 2330854845 LBEKCDPQKOENKY-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)CCCOc1ccccc1 2331164252 RQQNSQBNCQAPRD-UHFFFAOYSA-N 446.499 5.365 30 10 IKEE COCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1c(F)cccc1Cl 2331306033 AWUDOZZDTALKLZ-UHFFFAOYSA-N 439.343 5.087 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)Cc1cccs1 2331429905 SBESDTCCSMGKCC-UHFFFAOYSA-N 434.557 6.098 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)c1cncc(C)c1 2331539644 AZGLIDSLONIBCH-UHFFFAOYSA-N 431.463 5.382 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(F)c(F)c1F 2331540123 KWJCELIZGUBUEQ-UHFFFAOYSA-N 430.353 5.367 30 10 IKEE CC(C)c1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(F)cc1F 2331705521 YNPOOERIRIKSAD-UHFFFAOYSA-N 441.334 6.161 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C(C)C)cc1OC 2331707967 GHUWAGUNGXRMRH-UHFFFAOYSA-N 444.988 5.637 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccs3)c([N+](=O)[O-])c2)cc1Cl 2331823512 OZLXCXUGYHBAHR-UHFFFAOYSA-N 443.864 5.434 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C)c(OC)cc3C)cc2)cc1 2331835524 HCDHSJINVDCTFR-UHFFFAOYSA-N 430.500 5.826 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2cc(C)c(OC)cc2C)cc1OCC 2331851740 IASQWLOFZCUJQT-UHFFFAOYSA-N 430.928 5.966 30 10 IKEE N#Cc1nnn(-c2ccc(Cc3ccccc3)cc2)c1NC(=O)C=Cc1ccccc1Cl 2332188472 CMVGDTNNYNAGMR-UHFFFAOYSA-N 439.906 5.035 30 10 IKEE CC1(C)OB(c2cc(Cl)cnc2SCc2ccc(Br)cc2)OC1(C)C 2341261795 TVCJJOAWOBBYLL-UHFFFAOYSA-N 440.599 5.089 30 10 IKEE C=C[C@@](C)(CNCC(C)C)Cc1ccc(I)c(Br)c1 2349815959 HXUYYHISNFKDTM-MRXNPFEDSA-N 436.175 5.034 30 10 IKEE CC(C)CCCCCOCc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1 2377284619 BHMKMJLHKIWNKZ-UHFFFAOYSA-N 425.216 5.481 30 10 IKEE C#Cc1cccc(N(CC)Cc2ccc(I)c(Br)c2)c1 2377312390 FRYGFDYWYUUEIV-UHFFFAOYSA-N 440.122 5.062 30 10 IKEE O=C1C[C@@H](c2c(F)cccc2Cl)C2=C(C[C@H](c3ccc(Cl)c(Cl)c3)CC2=O)N1 21231387 NGEPVFHGPBBAMI-RYUDHWBXSA-N 438.713 5.790 30 10 IKEE CC(C)COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc3ccccc3c2)cc1 21252376 MJBVACDQQVSYAQ-UKILVPOCSA-N 439.555 5.879 30 10 IKEE COc1cccc2c(C)cc(S[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCC4)nc12 32530168 OAZRTQXPKXPLBA-AWEZNQCLSA-N 437.590 5.483 30 10 IKEE COc1ccccc1/C=C\C(=O)c1cc(Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 33442033 MKCLAPWUSSIDLX-WQLSENKSSA-N 437.835 5.372 30 10 IKEE O=C1/C(=C\c2ccc(F)c(F)c2)CN(Cc2ccccc2)C/C1=C\c1ccc(F)c(F)c1 35229435 PDYHCWPXGVXJJG-NGHQTVFFSA-N 437.436 5.795 30 10 IKEE C=CCN(CC(=O)N(Cc1ccc(F)cc1)Cc1sccc1C)C(=O)CCCCCC 35774430 VRQMLFSGYNXRSF-UHFFFAOYSA-N 444.616 5.709 30 10 IKEE C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@@H]1CCc1ccoc1CN1CCC(C)CC1 37230401 ZGHHYFNDDMTZKI-BJTFNZNYSA-N 441.656 6.396 30 10 IKEE biogenic C=CCOc1cccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2Cc2ccco2)c1 39840108 IPMNLXLUHUELCB-XMMPIXPASA-N 441.483 5.313 30 10 IKEE Cc1ccc(COc2ccccc2/C=C2\S/C(=N/c3cccc(C)n3)N(C)C2=O)cc1 39863215 APTBCLSWPAIGAN-YEVPVSBLSA-N 429.545 5.511 30 10 IKEE Cc1c(OC(=O)c2ccncc2)ccc2c1O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 41294012 UNNZEPHVFMNKIF-UQQQWYQISA-N 433.463 5.892 30 10 IKEE C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3ccc(-c4ccccc4F)o3)c12 98001126 LYWRSNSSTWKIIR-OWBHPGMISA-N 425.463 6.079 30 10 IKEE CCCCCCCOc1cccc(NC(=O)CNc2cccc(C(=O)N(CC)CC)c2)c1 100097564 WLNCZNJALFKUCW-UHFFFAOYSA-N 439.600 5.568 30 10 IKEE CCCCCCCCCCCCCCCCNCc1ccccc1OC[C@@H]1CCCO1 100125443 FXMFMELKOWSEED-MHZLTWQESA-N 431.705 7.815 30 10 IKEE COc1cc(/C=N/c2nnc[nH]2)cc(Br)c1OCc1cccc2ccccc12 100325184 BLBDOILRGHSKQW-FOKLQQMPSA-N 437.297 5.059 30 10 IKEE CN1C(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)S/C1=N/c1nccs1 101127934 MEHVZCFHXCZUEC-FKHPOCDDSA-N 441.965 5.609 30 10 IKEE COc1cc(OC)cc(C(=O)N2/C(=N\c3cccc(C(F)(F)F)c3)SCC2(C)C)c1 105127983 BBXPFSFIQCULAM-NCELDCMTSA-N 438.471 5.378 30 10 IKEE CCCCCCCCCCCCCCC(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 105259111 HHPSFQJHIXCQLP-UHFFFAOYSA-N 433.640 8.260 30 10 IKEE COc1cc(/C=N/Nc2ccc(C(=O)O)cn2)ccc1OCc1ccc(Cl)c(Cl)c1 169877917 VYUAWUIIHGSNKM-KIBLKLHPSA-N 446.290 5.120 30 10 IKEE CCCCCCCOc1ccccc1/C=N/NS(=O)(=O)c1ccc(Cl)c(Cl)c1 169902794 KHDQWEAGZVNGOI-HZHRSRAPSA-N 443.396 5.655 30 10 IKEE Sc1nnc(CCc2ccccc2)n1/N=C\c1cccc(OCc2ccc(Cl)cc2)c1 169911224 QNLIVNOLVOEHLH-QQXSKIMKSA-N 448.979 5.467 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2cccc(C)c2C)cc1 169925055 VBHROIDYMYLZLA-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CCCN1C(=S)N[C@H](c2ccc(Oc3ccc(C(C)(C)C)cc3)cc2)C2=C1CCCC2=O 169930261 ZBFJCAGXYKULEZ-RUZDIDTESA-N 448.632 6.425 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1c1cccc(F)c1 169939887 JRRZDAXPCYYILJ-QHCPKHFHSA-N 442.446 5.099 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2OC)cc1 169940699 OTHDTQYWNMRAIY-HSZRJFAPSA-N 447.462 5.016 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2ccc(O)cc2)c1 169964074 BRCZFEXEMSHJNB-JOCHJYFZSA-N 435.426 5.070 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1cccs1)c1cccc(Cl)c1 169983878 CZCJBEIWMBQKTD-GOSISDBHSA-N 431.847 5.463 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1cccs1 169983952 XJHWRYLZIGQUNK-FQEVSTJZSA-N 441.455 5.126 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2cccs2)cc1 169985019 WSLSIXUMZMXYEE-FQEVSTJZSA-N 439.920 5.583 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2cccc(C)c2)c1 170035932 ZKRGUJCSLGXLIQ-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(Cl)cc1 170057076 NESFJHJCCPORMV-NRFANRHFSA-N 439.895 5.090 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(F)cc2)cc1 170061725 TZMBOGMNACZSBL-DEOSSOPVSA-N 441.458 5.917 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccc(F)cc2)c1 170062341 SEGDIBKBZYDQDC-XMMPIXPASA-N 445.490 5.624 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1Cc1ccc(F)cc1 170108065 AQGFDQWYTICBFE-LJQANCHMSA-N 441.911 5.628 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2cc(C)cc(C)c2OC)=C(O)C(=O)N1C1CCCCC1 170123690 WSUCSQKSXRWKQK-HSZRJFAPSA-N 449.547 5.232 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2cccs2)cc1C 170158101 WLDRMSNCZXTPRH-QHCPKHFHSA-N 447.556 5.935 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@H]1c1cccs1 170159910 AHJLHYBNUXSRLZ-OAQYLSRUSA-N 449.528 5.165 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@H]1c1ccc(OCC(C)C)cc1 170167461 IMIDSTYWFFEARA-XMMPIXPASA-N 449.547 5.035 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccccn2)cc1 170173597 ATKXKBMVXRQCCW-JOCHJYFZSA-N 448.906 5.305 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)c(OC)cc3C)[C@H]2c2cccnc2)cc1 170186114 AGGNWHXTAKCRME-XMMPIXPASA-N 442.515 5.052 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2cccnc2)cc1 170186671 ILHLFDYSJSOABT-XMMPIXPASA-N 436.467 5.026 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1cccnc1)c1cccc(Cl)c1 170188503 BEGIZHPIPSPVBM-IBGZPJMESA-N 425.271 5.171 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@H]1c1ccc(Cl)cc1 170236325 OGUYEQKTVJTTMC-OAQYLSRUSA-N 427.928 5.363 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccccc2C)c1 170271537 OURHSUOEGDFPNK-VWLOTQADSA-N 441.527 5.874 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@@H]1c1ccccc1C 170276647 ZTNULUCKKXGMOE-DEOSSOPVSA-N 435.564 5.814 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1ccco1)c1ccc2ccccc2c1 170296837 ZRNZNDVATULJQL-DEOSSOPVSA-N 441.458 5.393 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(C)o2)cc1 170300846 JNOAUQZFLWRARY-GYCJOSAFSA-N 443.499 5.257 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(F)cc2F)o1 170305869 SLZSUKWOLZPBSV-LJQANCHMSA-N 429.806 5.303 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1c1cccc(F)c1 170313548 YCRXWWDJHRUAAZ-QFIPXVFZSA-N 447.531 5.857 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)C(C)C)[C@H]2c2cccc(Oc3ccccc3)c2)c1 170456153 PKGZCMLNDFKDKX-XMMPIXPASA-N 427.500 5.912 30 10 IKEE CCCCCCCOc1cccc(NC(=S)NC(=O)/C=C\c2ccc(OCC)cc2)c1 206821967 AYWFANMDILBTDK-VKAVYKQESA-N 440.609 5.961 30 10 IKEE C=CCN(CC=C)C(=Nc1ccc(C)cc1)C(=Nc1ccc(C)cc1)N(CC=C)CC=C 252627632 RYJWQZSRIARQDD-UHFFFAOYSA-N 426.608 6.412 30 10 IKEE C=C(C)[C@H](O)CC[C@](C)(O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@H]1[C@H]2CC[C@@H]2C(C)(C)C(=O)CC[C@]12C 263584407 SCSPVSFAVCLWPP-WXSGLFBQSA-N 444.700 6.319 30 10 IKEE CC(C)Oc1cccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 526488665 LUGZHJOROOSGBM-XMMPIXPASA-N 428.463 5.542 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccc(F)c2)cc1 526517132 SZXXFXQMRJOPBY-XMMPIXPASA-N 428.463 5.543 30 10 IKEE COc1cc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)cc2)cc(Cl)c1O 526773182 PIRHZDJRBZOZOB-NRFANRHFSA-N 449.890 5.146 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1/N=C\c1cc(Cl)c(O)c(OC)c1 526802882 MUMKPHJGZSFNBD-MSXFZWOLSA-N 448.951 5.302 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1c[nH]c2ccccc12 526822038 QUHOJZHZYIZUJE-QRQIAZFYSA-N 439.588 6.430 30 10 IKEE CC[C@@H]1CCCCN1C(=O)Nc1cccc(C(=O)Nc2scc(C(C)(C)C)c2C#N)c1 586680964 DCQBXUMFGRVRFQ-GOSISDBHSA-N 438.597 5.966 30 10 IKEE CC(C)(C)OC(=O)N=C(NC(=O)OC(C)(C)C)N1CCc2c(Cl)cc(Cl)cc2C1 687751347 BFDLWCDHFXXLJU-UHFFFAOYSA-N 444.359 5.167 30 10 IKEE CN1C(=O)C[C@@H](C(=O)Nc2ccc(Cl)cc2)SC1=Nc1ccc(Cl)c(Cl)c1 725391054 MTQVZOZAOVUUOH-HNNXBMFYSA-N 442.755 5.237 30 10 IKEE O=C(/C=C/C=C\c1ccccc1)C(C(=O)/C=C/C=C/c1ccccc1)=C1SCCCS1 725420175 WDGPLMWZJKVASP-UICJYELUSA-N 444.621 6.746 30 10 IKEE O=C(CSc1nc2ccc(N=Cc3ccc(Cl)cc3)cc2s1)c1ccc(F)cc1 1084156103 BMCYMWOCEOBOJV-UHFFFAOYSA-N 440.952 6.814 30 10 IKEE O=c1c2sccc2nc(-c2ccccc2Cl)n1N=Cc1ccc(Cl)cc1Cl 1088709388 XJEKIZOEXJUKTG-UHFFFAOYSA-N 434.735 5.967 30 10 IKEE C=CCCCCCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1sccc1C 1286680508 LEVOVJFBDDXUQC-UHFFFAOYSA-N 448.596 5.195 30 10 IKEE CCN1C(=O)/C(=C\c2cccc(OCc3ccc(C)cc3)c2)SC1=Nc1ccccn1 1772731667 PJYIFBYCUHFMJS-OORCVBGGSA-N 429.545 5.593 30 10 IKEE CCCCCCCCCCNC(=O)CCc1ncc(-c2ccc(Cl)c(Cl)c2)o1 1859672327 ZZXVUSKHRUFQHS-UHFFFAOYSA-N 425.400 6.838 30 10 IKEE Cc1ccc(OCCCCSc2nc(O)c(C#N)c(-c3cccc(Cl)c3)n2)cc1 1860466208 KUWSTMFYOPUFCQ-UHFFFAOYSA-N 425.941 5.634 30 10 IKEE O=C(/C=C/c1ccc(Br)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 1860725442 LUVXSFGLLOLNLJ-FPYGCLRLSA-N 432.623 5.342 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccccc1F)c1ccc(Cl)cc1Cl 1862383913 YRGXHZCHZCWTQK-LJQANCHMSA-N 434.294 5.653 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1c(Cl)cccc1Cl 1862386412 MWASLLLPFJHHOJ-INIZCTEOSA-N 445.129 5.898 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccccc1Cl)c1ccccc1Cl 1862432916 PXDQIWWGFGUQCP-FQEVSTJZSA-N 439.298 5.167 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cc(Cl)cc(Cl)c1 1862443541 NBILPSMXYTXEEH-SFHVURJKSA-N 438.738 5.881 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc(N(C)C)cc2)cc1 1862477879 UMBCIZZEKKQSOA-XANCMCCPSA-N 432.564 5.218 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccc(Cl)cc2)cc1 1862488905 KREWMDQLVITSGO-XMMPIXPASA-N 445.946 6.044 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccccc1F 1862501934 NWFCBRZYUGZFAF-JOCHJYFZSA-N 443.490 5.058 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(C)cc1 1862533035 KAECTNACIAWVRV-NOZRDPDXSA-N 433.592 6.495 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(Cl)cc1Cl 1862562893 QDFXCAGAPCLXGF-HXUWFJFHSA-N 447.362 5.734 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc(C)cc2)cc1OC 1862576492 VTRMOCBEGHSSEV-WPSZSDGUSA-N 449.547 5.169 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C[C@@H](C)O)cc1 1862616877 UHTWZLXCXJMGPG-UZUQRXQVSA-N 435.564 5.067 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862624370 WWPAWAQBPPAMNV-FQEVSTJZSA-N 446.374 6.279 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1c(Cl)cccc1Cl 1862642974 JYHDGUHIGMNTEY-GOSISDBHSA-N 438.282 5.129 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccc1[N+](=O)[O-] 1862654362 MESLNUDMZWRGNJ-JOCHJYFZSA-N 430.460 5.126 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccccc1Cl)c1cccc2ccccc12 1862654441 YAKBHDCBESRLDB-QHCPKHFHSA-N 431.919 6.014 30 10 IKEE C[C@@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(C#N)c1)c1ccc(Cl)cc1 1866717120 VMYLKEASKUYYGG-UUOWRZLLSA-N 445.950 5.071 30 10 IKEE COc1cc2c(cc1OC)N(c1cc(Nc3cccc(C#N)c3)nc(C(C)(C)C)n1)CC2 1868333258 CODLUCZLSJRNSI-UHFFFAOYSA-N 429.524 5.101 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](NC(=O)[C@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(C)C 1868865727 NBSQENRPYGEPMN-VQTJNVASSA-N 425.400 5.074 30 10 IKEE CCCCCCCCn1cc(OCc2cccc(Cl)c2)c(=O)cc1CN1CCCCC1 1870408272 BBDZTMWEUHVALC-UHFFFAOYSA-N 445.047 6.427 30 10 IKEE CCCCCCCOc1cn(CCCCN(CC)CC)c(CN(C)CCCC)cc1=O 1870411495 BMCFRJIIDJYXHU-UHFFFAOYSA-N 435.697 5.551 30 10 IKEE CCCCCCCCn1cc(OCCC)c(=O)cc1CNc1ccc(OC)c(Cl)c1 1871105816 WFLUYESAVQRZDP-UHFFFAOYSA-N 435.008 6.272 30 10 IKEE CCc1ccc([C@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2cccc(C)c2)C4=O)cc1 1871354736 ZKXGAPCXXIJZIR-PKFJFBDISA-N 425.528 6.087 30 10 IKEE Cc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2c(F)cccc2Cl)C3=O)cc1 1871366559 GJTQVYFBHLUORN-FDTILGBMSA-N 434.850 6.023 30 10 IKEE Cc1cc(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc2c1C(=O)/C(=C/c1cccs1)O2 1871373536 LINQFFSBDJTTBV-ZDLGFXPLSA-N 441.848 5.454 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(Cl)c2)C3=O)cc1[N+](=O)[O-] 1871375036 PKGRPEPSGZMGLN-NHDPSOOVSA-N 449.846 5.700 30 10 IKEE Cc1cc(OC(=O)Cc2cccc3ccccc23)cc2c1C(=O)/C(=C/c1ccccc1F)O2 1871376333 GAJIVYQQUCYWDC-QFEZKATASA-N 438.454 6.052 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871386954 AUSOZZOVBRZJKD-XKZIYDEJSA-N 434.875 5.883 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871389588 DNLVLLJGKKXBHI-HAHDFKILSA-N 430.431 5.534 30 10 IKEE CCCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C)o2)C3=O)c1 1871391244 QBMDDZYGIGZJCU-HMAPJEAMSA-N 432.428 5.129 30 10 IKEE Cc1cc(O)c(CN2CCC[C@@H](C)C2)c2c1C(=O)/C(=C/c1cccc(Br)c1)O2 1871396511 KDHRYBPDFHYMEZ-LPKQHDGYSA-N 442.353 5.311 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCc4ccc(C(=O)OC(C)C)cc4)ccc3C2=O)cc1 1871413969 GIMSFWJFAJYGMC-YSMPRRRNSA-N 442.511 6.009 30 10 IKEE Cc1c(OCc2cccc3ccccc23)ccc2c1O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 1871434588 QYLNZBHAEQHVMJ-VEILYXNESA-N 448.562 7.641 30 10 IKEE COc1ccc(C)cc1NC(=O)CCOc1ccc2c(c1)O/C(=C\c1cccs1)C2=O 1871446291 IGOVXYLWCBLPDM-HMAPJEAMSA-N 435.501 5.089 30 10 IKEE C=CCNC(=O)c1ccc2nc(-c3ccc(OCc4ccc(C)cc4)c(OCC)c3)[nH]c2c1 1872730088 KGPKVNUPNPUEEB-UHFFFAOYSA-N 441.531 5.432 30 10 IKEE Cc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(C)c1 1872762162 FDDFRUUGBZABFT-INIZCTEOSA-N 431.344 5.989 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccc4ccccc4c3)n2)cc1 1872764668 UKNFQHZOTGYUGT-QHCPKHFHSA-N 442.540 6.007 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccc(Cl)cc3)n2)cc1 1872768352 QCEUFFVYMNTXPU-FQEVSTJZSA-N 440.952 5.898 30 10 IKEE N#C[C@H](C(=O)Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc3c(c2)OCO3)cs1 1872773423 NNQGTLKCNGCLGR-CYBMUJFWSA-N 431.300 5.265 30 10 IKEE Sc1nnc(CCc2ccccc2)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1873502357 INPUDFBOFXBWFF-WGOQTCKBSA-N 448.979 5.467 30 10 IKEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3c(Cl)cccc3Cl)c(=O)oc2c1 1873946169 YUAKENHSBQBMRR-UHFFFAOYSA-N 446.330 5.934 30 10 IKEE C=CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccc(C)cc1 1874218064 SQCGZNPQHASXRS-ZMOGYAJESA-N 426.973 5.596 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1sccc1C 1874231991 LJSHSFNKZGVBGC-MFKUBSTISA-N 432.618 6.137 30 10 IKEE CCCSc1nnc(Cc2ccc(OC)c(OC)c2)n1/N=C/c1cccc2ccccc12 1874239285 ZPRYCIKOPQZDIW-YZSQISJMSA-N 446.576 5.424 30 10 IKEE CCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1cccc(OC)c1OC 1874269865 SBRRSXIGANHVED-PCLIKHOPSA-N 432.549 5.034 30 10 IKEE COc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccc(F)cc2)cc1 1874291949 DMWWELJKIFRPKM-CVKSISIWSA-N 448.523 5.179 30 10 IKEE CSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874356396 HEPFAQCFVBTASP-WPWMEQJKSA-N 442.588 5.669 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3C)n2/N=C/c2ccccc2C)c1 1874361297 IRRGPRTVDRQPCE-MTDXEUNCSA-N 440.616 6.163 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3cccs3)n2/N=C/c2cccn2C)c1 1874371474 BAVCNCXWQWCTCC-BUVRLJJBSA-N 435.622 5.255 30 10 IKEE Fc1ccc(Cc2nnc(SCc3ccccc3F)n2/N=C/c2ccccc2F)cc1 1874380109 XGESFVNTPIHMON-MZJWZYIUSA-N 438.478 5.461 30 10 IKEE COc1cccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2)c1OC 1874416805 JAJYTDGRJMSPAW-YZSQISJMSA-N 444.560 5.061 30 10 IKEE COc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccccc2F)c(OC)c1 1874438399 CZCOTVZFEGSHMR-AFUMVMLFSA-N 442.560 5.198 30 10 IKEE COc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccccc2Cl)cc1O 1874439492 DXIBSOUXCUPAHE-ZMOGYAJESA-N 444.988 5.409 30 10 IKEE CC(C)(C)Cc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(O)cc1O 1874442311 YNTWWFMLHDOYMA-BHGWPJFGSA-N 448.951 5.245 30 10 IKEE Cc1ccccc1/C=N/n1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1C1CCCC1 1874457198 FXSYRLLGFAASKH-DZTFFZQKSA-N 447.608 5.096 30 10 IKEE C=C(C)CSc1nnc(C(F)(F)F)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874460407 RMHCXTVGFQJGLG-BRJLIKDPSA-N 446.454 5.067 30 10 IKEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccccc1Cl 1874477176 NGNQBDGVBYKENR-LPYMAVHISA-N 429.933 5.357 30 10 IKEE CCCOc1cccc(/C=N/n2c(CC(C)C)nnc2SCc2cccc(Cl)c2)c1 1874491379 OOGFABLSOLXCIA-MFKUBSTISA-N 443.016 6.093 30 10 IKEE COCc1nnc(SCc2cccc(F)c2)n1/N=C/c1c(Cl)cccc1Cl 1874499531 SVBCYDYHCHCQNF-LSFURLLWSA-N 425.316 5.045 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1c(F)cccc1Cl 1874509504 FZSOCHVMTDCKDR-YSURURNPSA-N 441.334 5.990 30 10 IKEE CC(C)c1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(Br)cc1 1874510558 TZKQPRYDIMENMU-SSDVNMTOSA-N 433.350 5.478 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OCc2cc(C)ccc2C)c1 1874597953 MHPCJMUDSKSIRJ-WYMLVPIESA-N 428.572 7.085 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cccc(OCC(=O)NC2CCCCC2)c1 1874600543 RHLOQNBRKPPLTE-VAWYXSNFSA-N 441.955 5.381 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1OCc1cccc(C)c1 1874601137 WAHRNGNAMJJXJC-UXBLZVDNSA-N 427.327 6.786 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3ccccc3C)c(OC)c2)cc1OC 1874603476 YTPKKIWQWDOQBI-ZRDIBKRKSA-N 448.515 5.505 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 1874614518 KTIHFVIAYHSWFH-OUKQBFOZSA-N 449.934 5.961 30 10 IKEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1Br 1874618340 VSVDCVOUZNLMJU-PKNBQFBNSA-N 444.369 5.209 30 10 IKEE C=CCOc1c(Br)cc(/C=C/C(=O)c2cc(OC)ccc2OC)cc1OCC 1874620612 KBVNCPFZDYHOHS-VQHVLOKHSA-N 447.325 5.326 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(OC)c1OCc1cc(C)ccc1C 1874624293 VPLPVTWADQMANL-NTEUORMPSA-N 444.571 6.919 30 10 IKEE CCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1C[C@@H](C)C[C@@H](C)C1 1874649830 BQRRAQHQUFSKNI-BKSPAHHJSA-N 439.644 5.450 30 10 IKEE CCCCC(=O)Oc1cc(/C=C/C(=O)c2ccc(CC)cc2)c(Br)cc1OC 1874694530 IHQGNSDQDHYPPH-OUKQBFOZSA-N 445.353 6.012 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2)cc1OC(=O)CC12CC3CC(CC(C3)C1)C2 1874700476 VQXKEOGCVOKGMJ-VQHVLOKHSA-N 430.544 6.103 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OC(=O)c1ccc(OC(C)=O)cc1 1874701101 BCWJBNYACGPJQW-AWNIVKPZSA-N 444.483 5.353 30 10 IKEE CCOc1ccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C)cc3)c2)cc1OC 1874701979 OUAQMFZUHDKLMJ-XNTDXEJSSA-N 444.527 5.837 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1)c1ccc(F)cc1 1874708624 MNRUMFKDVDSALX-NYYWCZLTSA-N 425.799 5.503 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@H]2CCCO2)c(Cl)c1)c1ccc(-c2ccccc2)cc1 1875078728 ZXQHOHWRNJLMLI-WCLOKENTSA-N 432.903 5.988 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C2CCC2)c(Br)c1)c1ccc2c(c1)CCCC2 1875097416 KFORMCJMQHDLKZ-XYOKQWHBSA-N 439.349 5.930 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)COC)c(Br)c2)cc1 1875106724 ICIFKUWIUUWFNO-XYOKQWHBSA-N 431.326 5.240 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2F)cc1)c1cccc(Br)c1 1875114075 CGTLLUPHGCPKSM-JLHYYAGUSA-N 425.253 5.704 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(C)cc1 1875116036 HSGBNMKKJHKUJZ-MKMNVTDBSA-N 431.444 5.417 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)c1ccccc1-c1ccccc1 1875129122 LYXWXUGFBGQFMQ-FBMGVBCBSA-N 434.491 6.478 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Br)c1OC(=O)C(C)C 1875134069 OZILGRNUSMQLLM-VQHVLOKHSA-N 431.326 5.532 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3-c3ccccc3)cc2)ccc1F 1875141098 NSDFCNRVVOLYKS-QGOAFFKASA-N 436.482 6.916 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1[N+](=O)[O-] 1875148498 FXAZIXIQRJNEOZ-LZYBPNLTSA-N 443.499 6.316 30 10 IKEE CCCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccc(F)cc2)cc1OCC 1875158881 RNWCWDLKMRPJOT-IZZDOVSWSA-N 435.289 5.589 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)COc2cccc(C)c2C)cc1 1875169361 JEUVAHJYNQQTNH-SDNWHVSQSA-N 444.527 5.809 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(OCC)ccc2OCC)cc1Cl 1875172477 WJSFXUKZJPSWNF-FMIVXFBMSA-N 430.928 6.129 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1Cl 1875183304 UUSDXPWZTFWUOZ-WYMLVPIESA-N 441.011 7.817 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)cc1Cl 1875187398 RKRBFYTXKVOTEY-XYOKQWHBSA-N 427.283 6.117 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@H](C#N)[C@H]1CCCCN1C(=O)OC(C)(C)C 1880102212 RYFIDYBTXUMOOW-UXHICEINSA-N 429.561 5.105 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)CCc3cccc(C(F)(F)F)c3)cc21 1890620358 IBOJOLDQKIIYAL-UHFFFAOYSA-N 446.469 5.214 30 10 IKEE CCCCCCCCCCCCC(=O)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 1915214941 ZSBPRGMZIZTWHB-UHFFFAOYSA-N 445.688 8.084 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@@]2(C#N)N(C(=O)OC(C)(C)C)c2ccccc2)C1 1918265605 WVJTVLRAODHEMK-RPBOFIJWSA-N 441.572 5.502 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)NCC 1922105104 VNGIDZDLRBJKFZ-LOSJGSFVSA-N 438.612 5.784 30 10 IKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1949525279 OCXTZULCCCKFNY-KOSHJBKYSA-N 435.609 5.486 30 10 IKEE C[C@H](c1cccs1)N(Cc1ccccc1)c1nc(B2OC(C)(C)C(C)(C)O2)cs1 1981467776 QJVMEPFYBNLKQT-MRXNPFEDSA-N 426.416 5.272 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@]1(C)CCN1C(=O)OC(C)(C)C 1999895953 FOBOHMVKVYEGOU-ZEQRLZLVSA-N 429.561 5.418 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)C1(C#N)CC2(CCC(NC(=O)OC(C)(C)C)CC2)C1 2007729788 WXKDFGYUMIFWOD-UHFFFAOYSA-N 435.609 5.389 30 10 IKEE C=C(C)[C@H]1CC[C@@]2(C(=O)O)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)C(=O)C[C@@]34C)[C@H]12 2053639283 NUDCZUBEFGYVSS-BZRJOMFOSA-N 440.668 6.908 30 10 IKEE CC(C)(C)OC(=O)NC1CC2(CC[C@]2(C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 2064201428 BYYWTHSDMSTXRG-FSEIRDBJSA-N 445.535 5.297 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@@H](C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2077947683 KLEZGUAUHRZPPO-APWZRJJASA-N 447.551 5.495 30 10 IKEE C=CCCCCCCCCC[C@H](CCN(Cc1ccccc1)C(=O)OC(C)(C)C)NCC 2086281094 PHFSJCHZBPYTBY-AREMUKBSSA-N 444.704 7.489 30 10 IKEE N#C[C@H](Nc1cccc(Br)c1)c1cc(Br)ccc1Br 2088097795 NWHGVAKWHGOTBK-AWEZNQCLSA-N 444.952 5.651 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1c[nH]nc1C(F)(F)F 2154850771 APHRQGXUBWVWPL-ZDUSSCGKSA-N 445.239 5.197 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CC12CCC(Nc1cc(Br)ccc1C#N)CC2 2158254274 UPEJXCVQFJKALB-NNDYNSRJSA-N 434.378 5.206 30 10 IKEE N[C@H](C#Cc1ccccc1Br)c1cc(Br)cc(Br)c1 2227491802 WXQNVGYUJFQZJH-OAHLLOKOSA-N 443.964 5.026 30 10 IKEE C=CCCCCC[C@@H](O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229109501 KGBMDBNFJSGZJQ-RBUKOAKNSA-N 426.395 5.382 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCCC)c2sc(C)c(C)c2Br)C1 2229305400 XCIYMRIZBBUFTG-QGZVFWFLSA-N 443.451 5.782 30 10 IKEE CCCCCCCCC[C@@H](CO)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2235390065 YBYBLFIPULNEKE-FQEVSTJZSA-N 442.438 6.692 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)c1cscc1OCc1ccccc1 2235730901 PIVOFXMXMHEGHF-JOCHJYFZSA-N 440.406 6.182 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)c1cscc1OCc1ccccc1 2235730903 PIVOFXMXMHEGHF-QFIPXVFZSA-N 440.406 6.182 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)c1ccc(CNC(=O)OC(C)(C)C)s1 2235734282 WGKISKQEGQXBGE-SFHVURJKSA-N 449.414 5.238 30 10 IKEE C=CC[C@@H](C)[C@@H](NCCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237403777 YXVCNNLPLGBCMT-LSTHTHJFSA-N 439.438 5.465 30 10 IKEE CC#CCCC[C@H](NCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237406103 ZIXBIAARXVCSIR-VQTJNVASSA-N 437.422 5.057 30 10 IKEE C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1Cl 2255770498 QPKLCCQVYCBTGV-KRWDZBQOSA-N 439.792 5.080 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CN[C@@H]2CCCC[C@H]2C1 2279698570 VRFVSUYREFNEHX-RRMPHLOHSA-N 434.378 5.005 30 10 IKEE C=CCCC1([C@@H](NC)c2c(F)ccc(F)c2Br)CN(C(=O)OC(C)(C)C)C1 2281032122 HQHSHJGTLHSLOD-KRWDZBQOSA-N 445.348 5.191 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(Nc2ccccc2Br)C[C@@H]1C(F)(F)F 2294738708 PIMHAGIZASZLDQ-PBHICJAKSA-N 448.283 5.085 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H](CNc2cc(Br)cc(F)c2C#N)CC1 2295179235 DYOBHFYBCPMSSU-CQSZACIVSA-N 440.357 5.299 30 10 IKEE CCN1C(=O)C(=C2Sc3ccccc3N2C)SC1=Nc1cccc(Br)c1 2295201828 GJKATFMHINJSFU-UHFFFAOYSA-N 446.395 5.443 30 10 IKEE C[C@H](NC(=O)OC(C)(C)C)c1ccc([C@H](N)C#Cc2cccc(Br)c2)cc1 2296223664 CBAPMKIAIJWKAV-MGPUTAFESA-N 429.358 5.086 30 10 IKEE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2)SC1=S 2296729519 ULGOPIMUDONJBH-UHFFFAOYSA-N 447.585 5.325 30 10 IKEE O=C1C(=Cc2ccc(Cl)c(Cl)c2)SC(=Nc2ccccc2)N1Cc1ccccc1 2296739351 ZRWUUPHGWIYMQT-UHFFFAOYSA-N 439.367 6.798 30 10 IKEE CCCCCCCCOc1ccc(C=C2SC(=S)N(C3CCCCC3)C2=O)cc1 2296882877 BMJZRDCNJYOZLV-UHFFFAOYSA-N 431.667 6.960 30 10 IKEE C=C(C)COc1c(Br)cc(C=C2N=C(c3cccs3)OC2=O)cc1OCC 2297624466 RIIKKJWACOXHRQ-UHFFFAOYSA-N 448.338 5.209 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2302570880 DLIBIXMZQHHGRC-QRVBRYPASA-N 433.524 5.153 30 10 IKEE CCCCCCCOc1cccc(NC(=S)NC(=O)C=Cc2ccc(OCC)cc2)c1 2313890146 AYWFANMDILBTDK-UHFFFAOYSA-N 440.609 5.961 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(OCc3ccc(C)cc3)cc2)SC1=Nc1nccs1 2314542976 RUFQOFQZMICEOF-UHFFFAOYSA-N 447.585 5.821 30 10 IKEE CCN1C(=O)C(=Cc2cn(C)c3ccccc23)SC1=Nc1nc(-c2ccccc2)cs1 2314543950 PQPULIOAFATMMG-UHFFFAOYSA-N 444.585 5.926 30 10 IKEE CC(=Cc1ccccc1)C=C1SC(=NN=Cc2cccs2)N(Cc2ccco2)C1=O 2314819131 TWXLBPYDFKOZOC-UHFFFAOYSA-N 433.558 5.794 30 10 IKEE C=CCC(CC=C)[C@@H](NCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2316751373 CSXQAJYWGCWAEL-SQHAQQRYSA-N 442.644 5.577 30 10 IKEE O=C(C=Cc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2318788509 LUVXSFGLLOLNLJ-UHFFFAOYSA-N 432.623 5.342 30 10 IKEE O=c1c(Cl)c(NN=Cc2ccc(-c3ccccc3Cl)o2)cnn1-c1ccccc1 2321669683 GGZGNYZKPPYPRN-UHFFFAOYSA-N 425.275 5.245 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(Br)cc1)C3=O)CN(C1CCCC1)CO2 2322328512 GLRCGTJKQXKVPT-UHFFFAOYSA-N 440.337 5.468 30 10 IKEE CCN(CC)CCCN1COc2c(cc3c(c2C)OC(=Cc2cccc(Cl)c2)C3=O)C1 2322378800 IPSRHJROHUGESY-UHFFFAOYSA-N 440.971 5.148 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 2322474775 SCCUJQKDMVVGBA-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Cl)ccc1OCC(=O)N[C@@H](C)c1ccccc1 2322481557 HUGFDOWVMPOKTO-SFHVURJKSA-N 449.934 5.501 30 10 IKEE CCCOC(=O)COc1cccc(C=CC(=O)c2ccc(OCCC)c(OCCC)c2)c1 2323118285 URIUOBVTUAPXPS-UHFFFAOYSA-N 440.536 5.492 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2cccc(OCc3ccccc3Cl)c2)cc1Cl 2323279925 MQUVTINEJCYSPI-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc1OCc1ccc(F)cc1 2323289003 FYGRTYDMGJMLTJ-UHFFFAOYSA-N 440.898 6.280 30 10 IKEE Cc1c(OC(=O)C=Cc2ccc(Cl)cc2)ccc2c1OC(=Cc1ccc(F)cc1)C2=O 2323327216 KFDOJVVAQITHJY-UHFFFAOYSA-N 434.850 6.023 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OCCc3ccccc3)c(OC)c2)cc1OC 2323439472 NRWFOWPIUHNIPA-UHFFFAOYSA-N 448.515 5.239 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 2323536991 NIZOLZRCYLYLPB-UHFFFAOYSA-N 439.382 7.811 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc([N+](=O)[O-])c1OCc1ccccc1F 2323959178 NZRIPVDBKWXJLY-UHFFFAOYSA-N 449.478 6.225 30 10 IKEE CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1ccccc1C)C2=O 2324325182 ZSQLIVKYGCOSQZ-SFHVURJKSA-N 443.499 5.416 30 10 IKEE COc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccc(C)cc4)ccc3C2=O)cc1 2324370350 RXYUVAROCBMGBU-QGZVFWFLSA-N 429.472 5.026 30 10 IKEE Cc1ccccc1OCCCCOc1ccc2c(c1C)OC(=Cc1cccc(F)c1)C2=O 2324599018 FWCQNMZCANBVAN-UHFFFAOYSA-N 432.491 6.297 30 10 IKEE CCc1ccc(OCCCOc2cc(C)c3c(c2)OC(=Cc2sccc2C)C3=O)cc1 2324665512 FANSKKBWHVUOIC-UHFFFAOYSA-N 434.557 6.391 30 10 IKEE COC(=O)c1cccc(COc2cc(C)c3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)c1 2324753125 JVASXEGYYKESHU-UHFFFAOYSA-N 443.499 5.043 30 10 IKEE Cc1c(OCC(=O)C(C)(C)C)ccc2c1OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O 2324923174 SVBDMXOVAJEOHM-UHFFFAOYSA-N 442.895 5.125 30 10 IKEE Cc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(OCc2ccccc2)cc1 2325632543 ALTGBLPBZGFAQT-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2325715444 VMKAPFPFXKHVEG-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccc(F)cc4)c3C)C2=O)cc1 2325728502 LVMCWHRPEICUIY-UHFFFAOYSA-N 431.463 5.330 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2F)C3=O)c1C 2325738095 JOIQTMCJHPBUPS-UHFFFAOYSA-N 431.463 5.385 30 10 IKEE Cc1c(OCC(=O)Nc2ccccc2F)ccc2c1OC(=Cc1ccc(Cl)cc1)C2=O 2325739428 DYGVTHNUYAFXMF-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE O=C(C=Cc1cccc(OC(=O)[C@H]2C[C@H]2c2ccccc2Cl)c1)c1ccc(F)c(F)c1 2325753628 JHUHQBJARJWTNZ-PMACEKPBSA-N 438.857 6.223 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)ccc2OC)cc1OC(=O)c1ccccc1C 2325779762 YDZBNQWLPWITFE-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE CCOc1cc(C=Nn2cnnc2SCc2ccc(F)cc2)cc(Cl)c1OC(C)C 2326236514 LWFOIJAXQRSKRU-UHFFFAOYSA-N 448.951 5.431 30 10 IKEE OCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1cccc2ccccc12 2326945417 OUUQFJCOTRZNGM-UHFFFAOYSA-N 446.620 5.157 30 10 IKEE Cc1cccc(OCCCc2nnc(SCc3ccccc3)n2N=Cc2ccccc2)c1 2327007332 QYBFJRAYZPCFGD-UHFFFAOYSA-N 442.588 5.773 30 10 IKEE CCCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1cc(Cl)ccc1O 2328075518 SQHVQRAYXKCHQT-UHFFFAOYSA-N 435.380 5.460 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3Cl)n2N=Cc2ccccc2O)cc1 2329995426 VCNCDNMQZQAXCP-UHFFFAOYSA-N 448.979 5.711 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCCc2ccccc2)n1N=Cc1ccc(Cl)cc1 2330115089 CKJBABPICXXOAM-IBGZPJMESA-N 447.007 6.300 30 10 IKEE COc1ccccc1C=Nn1c(CC2CCCCC2)nnc1SCc1ccccc1C 2330232452 QNMKFLZEESCJFB-UHFFFAOYSA-N 434.609 5.892 30 10 IKEE Fc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccccc2)c(F)c1 2330270023 ITQIAPROCZHDBM-UHFFFAOYSA-N 426.536 5.854 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)C(F)(F)F 2330609102 ZRLLRRFHZORBIP-UHFFFAOYSA-N 440.417 6.116 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1OC 2330615939 KJVUHIVOZFICBS-UHFFFAOYSA-N 442.555 7.134 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)Cc1ccc(F)cc1 2330640109 DXWKXYAAIJXPHB-UHFFFAOYSA-N 449.434 5.177 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(C)c(C)c1 2330642799 AYPURQZMKAHUCU-UHFFFAOYSA-N 445.471 5.726 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3[N+](=O)[O-])c([N+](=O)[O-])c2)cc1 2330750039 KGGYJWYSYRRGID-UHFFFAOYSA-N 446.415 5.181 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(OCC)cc3)cc2)cc1 2330824481 XBLILDUFEFFZNS-UHFFFAOYSA-N 442.555 6.472 30 10 IKEE Cc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCC(=O)Nc2ccc(C)cc2C)cc1 2330881056 HHRUOMVLXUJHPN-UHFFFAOYSA-N 449.624 5.405 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3ccccc3Cl)cc2)cc1 2330910722 QSFAWIGTUJHPRA-UHFFFAOYSA-N 448.946 6.563 30 10 IKEE Oc1ccccc1C=Nn1c(SCc2cccc3ccccc23)nnc1[C@H]1CCCO1 2330979701 RRPJCFNRGZJDFF-JOCHJYFZSA-N 430.533 5.163 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2cccc(Br)c2)cc1 2330994446 CFYOEXUQYKOJDM-UHFFFAOYSA-N 443.381 7.001 30 10 IKEE COc1cccc(C=Nn2c(SCCc3ccccc3)nnc2C2CCCC2)c1OC 2331077906 NLCQTYHZYRHREE-UHFFFAOYSA-N 436.581 5.170 30 10 IKEE Cc1ccc(CSc2nnc(C(F)(F)F)n2N=Cc2c(F)cccc2Cl)cc1 2331109263 XJBFZRQQELFAHI-UHFFFAOYSA-N 428.842 5.572 30 10 IKEE Oc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2-c2ccco2)c(O)c1 2331216505 HJYZXEUFPPILGR-UHFFFAOYSA-N 442.500 5.277 30 10 IKEE COCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(Cl)cc1Cl 2331246384 IEAGPZVOANLOEE-UHFFFAOYSA-N 439.343 5.087 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)[C@H]3CCCO3)c(OC)c2)cc1 2331293869 MOELLOIZRWCYBF-OAQYLSRUSA-N 444.911 5.118 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)c1ccc(C)cc1 2331555731 OMYJSISAUMHULP-UHFFFAOYSA-N 438.426 5.406 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)ccc1OC(=O)[C@H]1CCCO1 2331757788 PCBGQNVBULGTNT-OAQYLSRUSA-N 444.911 5.036 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)c1cncc(C)c1 2331802548 QUZOONCCDUHACT-UHFFFAOYSA-N 443.543 6.120 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c3ccccc23)cc1 2331865988 CVDGONLJKDDYEZ-UHFFFAOYSA-N 438.479 5.972 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Cl)cc(Br)c1F 2337107523 UFJZUVPYTPPRLT-WBVHZDCISA-N 447.776 5.199 30 10 IKEE C[C@@H]1C[C@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN1Cc1ccccc1 2339578140 CNVSKGMBAQHOBJ-NFBKMPQASA-N 433.405 5.191 30 10 IKEE C[C@@H]1CN(Cc2ccccc2)C[C@@]1(C)CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2365048226 HDRZGRKEGBKAGN-JIPXPUAJSA-N 447.432 5.296 30 10 IKEE C=CCOc1c(Br)cc(/C=C2/N=C(c3ccccc3Cl)OC2=O)cc1OC 2850098 WARDWQJBJWWNRL-MHWRWJLKSA-N 448.700 5.020 30 10 IKEE CCCCCCCC/C=C\CCCCCCCCNC(=O)Cc1ccc(O)c(OC)c1 14253393 PCZMUTQYZKAXBW-KHPPLWFESA-N 431.661 7.097 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cn(C[C@H](O)CN(CC(C)C)CC(C)C)c3ccccc23)cc1 20439303 KENONSNWMMABQW-ZUSJUXBOSA-N 446.635 5.821 30 10 IKEE C=CCNC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CC[C@@H](C(C)(C)C)C2 20467885 YWQWZUIDMPMYDO-CQSZACIVSA-N 431.001 5.721 30 10 IKEE CCOc1cc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(CC)cc2)C3)ccc1OC(C)C 21228417 YKCVKWZCUVTBHH-VXKWHMMOSA-N 447.575 5.439 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2O)cc1 21260282 WPLKTBRLWBDXOP-XRHLQHRESA-N 426.516 5.770 30 10 IKEE O=C1CCCC2=C1[C@H](c1cccs1)N(C(=O)Nc1ccccc1Cl)c1ccccc1N2 21722342 WUOQABCHMVFLCT-QHCPKHFHSA-N 449.963 6.614 30 10 IKEE Cc1ccc(C(=O)/C=C\c2ccccc2OC(=O)N(c2ccccc2)c2ccccc2)cc1 34954558 MCJGQSVUMQFHPM-MRCUWXFGSA-N 433.507 7.228 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1 58867701 WSTZXJMFOIBGTF-SYZQJQIISA-N 436.305 5.606 30 10 IKEE N#CCc1ccc(NS(=O)(=O)c2ccc(Oc3ccc(Br)cc3)cc2)cc1 59464771 HKKWHXWROIMTQB-UHFFFAOYSA-N 443.322 5.108 30 10 IKEE C=C(C)COc1cccc(NC(=O)CNc2cccc(OCCCc3ccccc3)c2)c1 66065251 CQLUYLHLAZAIQO-UHFFFAOYSA-N 430.548 5.704 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)c1 97993107 LCRZPVZAWGOBSF-YFHOEESVSA-N 436.533 5.358 30 10 IKEE CCCCCCCCCCCCCC(=O)Nc1ccc(C(=O)NCc2ccco2)cc1 100442638 ZTMVFJCCZADMSF-UHFFFAOYSA-N 426.601 6.849 30 10 IKEE O=C(/C=C\Nc1ccc(Oc2ccccc2Cl)cc1)c1ccc(-c2ccccc2)cc1 103847883 GWJRFJYXWFNIAX-HNENSFHCSA-N 425.915 7.608 30 10 IKEE O=C1/C(=C\Nc2cccc(Cl)c2)S(=O)(=O)N(Cc2cccc(F)c2)c2ccsc21 105337665 KZJXBGNMLSBOMB-WOJGMQOQSA-N 448.928 5.027 30 10 IKEE Cc1cc(-c2c(C)sc3nc(C(C)C)n(Cc4cccc(C#N)c4)c(=O)c23)ccc1Cl 169902470 ZJDBLASRWROXLT-UHFFFAOYSA-N 447.991 6.439 30 10 IKEE CC(C)COc1c(Cl)cc(/C=N\Nc2nc(-c3ccc(F)cc3)cs2)cc1Cl 169941680 XULNHMKAHAGQIM-OPVMPGTRSA-N 438.355 6.737 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@@H]2c2ccccn2)c1 169996819 OFAYPCQTZFDEGT-JOCHJYFZSA-N 432.907 5.443 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2C2CCCC2)cc1 170033685 FYDGPEMMRGDLEP-DEOSSOPVSA-N 444.531 5.478 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccc(F)cc2)cc1 170062107 WCXGDLGUURNTIG-QFIPXVFZSA-N 435.426 5.065 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)o1 170101067 NFEXNEGJKFEZDQ-HXUWFJFHSA-N 443.833 5.611 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2ccc(OC)cc2)cc1 170116353 CZSCBWJZPQUUQR-QHCPKHFHSA-N 437.536 5.253 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(O)cc2)c1 170135513 ATTUULNRYZEKFJ-HSZRJFAPSA-N 435.520 5.092 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)(C)C)c2)[C@@H]1c1ccc(O)cc1 170136923 IHCXXAYLSAMTHN-QFIPXVFZSA-N 437.536 5.077 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2cccs2)c1 170158258 CICXSYWXIYXKMC-JOCHJYFZSA-N 428.513 5.629 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccncc2)c1 170200450 SXSKBYXYFTVYJR-DEOSSOPVSA-N 442.515 5.269 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2c[nH]c3ccccc23)s1 170254411 MDXVTMBRVOQRON-HXUWFJFHSA-N 429.501 5.024 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1c[nH]c2ccccc12 170256119 MOXDXMDNXLYJDZ-DEOSSOPVSA-N 446.547 5.724 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@@H]1c1ccc(CC)cc1 170267585 RVJTYDDKIQUQPD-VWLOTQADSA-N 449.591 6.150 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccc2C)cc1C 170273215 NPGAOONGUHFFMG-XMMPIXPASA-N 427.500 5.403 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(OCC(C)C)cc2)=C(O)C(=O)N1C1CCCCC1 170275455 XLXPAOPNPBDAIF-VWLOTQADSA-N 447.575 5.941 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2C)ccc1OC(C)C 170278517 YHCBDYVOKONJCW-DEOSSOPVSA-N 433.548 5.612 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1CCCC[C@@H]1CN1C(=O)c2ccccc2C1=O 170556463 GYIFMVMPDJRHNQ-NHCUHLMSSA-N 426.601 5.346 30 10 IKEE Cc1occc1C(=O)Nc1cccc(C(=O)/C=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 210049450 PINMZORGXTZJFH-NTMALXAHSA-N 442.427 5.905 30 10 IKEE CCCOC(=O)c1cccc(Nc2nc(SC)nc(-c3cccc(Cl)c3)c2C#N)c1 243080334 IQJKCSYZYKBWSB-UHFFFAOYSA-N 438.940 5.701 30 10 IKEE C#CCOc1ccc2ccccc2c1/C=C1\SC(=Nc2ccccc2)N(CCOC)C1=O 254818761 GLMWMVMHVCLXCJ-MMKHHPBPSA-N 442.540 5.102 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccc(Cl)c2)c(OC)c1 526491842 XYBYDSBELOWAGN-HSZRJFAPSA-N 446.890 5.286 30 10 IKEE Cc1cc(Cl)ccc1NC1=C(Sc2ccccc2)C(=O)N(c2cccc(C#N)c2)C1=O 526636267 LILMTTYLXSKKRL-UHFFFAOYSA-N 445.931 5.509 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccc(N(CC)CC)cc1 526807164 LIAPETJHMFZEDC-IWIPYMOSSA-N 428.005 5.515 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)Cc2ccc(Br)cc2)cc1 698904548 RMOZUUMVVMOYFW-JOCHJYFZSA-N 429.358 6.024 30 10 IKEE C=CCCCCC[C@H](NC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 708581542 GBFOJMANCAWAAS-VQTJNVASSA-N 439.438 5.609 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCN(C(=O)OCc3ccccc3)C2)cc1 720801942 CXPLQVLLBNKLLA-SANMLTNESA-N 449.551 5.432 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 724029700 RMRZPFJAAKZDFS-HXOBKFHXSA-N 433.524 5.297 30 10 IKEE C=C1CCC(C[C@@H](NCC)c2cc(I)ccc2Br)CC1 724545504 RILUHDLAVQXHDK-QGZVFWFLSA-N 448.186 5.841 30 10 IKEE O=C(NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccc(F)c(Cl)c1 821190716 JXVLHZUKVOSQEB-UHFFFAOYSA-N 428.691 5.479 30 10 IKEE Cc1cc(C)cc(NS(=O)(=O)c2ccc(N=Cc3ccc(Cl)c([N+](=O)[O-])c3)cc2)c1 1084149128 XPNCAIZXFURYAN-UHFFFAOYSA-N 443.912 5.416 30 10 IKEE N#Cc1ccc(CN(CCOc2ccc(F)c(Cl)c2)c2ccc3nc(O)[nH]c3c2)cc1 1167788990 HYECVONSFHPVRV-UHFFFAOYSA-N 436.874 5.018 30 10 IKEE CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)NC(C#N)(Cc1ccccc1)Cc1ccccc1 1616048030 RQKZHRZGQKCIGO-FPOVZHCZSA-N 427.375 5.442 30 10 IKEE CCCCCCCCCCNC(=O)c1c2c(nc3c(Cl)cccc13)CCN(CC)C2 1859577838 RDSWUIWLVHJVNY-UHFFFAOYSA-N 430.036 6.137 30 10 IKEE COC(=O)c1c(C)oc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)c1C#N 1859760840 TYKVHVTUKVJOBY-UHFFFAOYSA-N 444.274 5.176 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(F)c1 1861378309 HVCUTTVDOVVTTD-DEOSSOPVSA-N 426.576 5.424 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)c1cc(Cl)ccc1Cl 1861761705 XRKQEVVEVWHIKY-OAQYLSRUSA-N 443.459 6.539 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C2CCCCC2)c1 1862379689 IJIMKUFEGJVRTI-OAQYLSRUSA-N 444.358 6.213 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(N(C)C)cc2)cc1 1862394959 LEFSPQTYCZAXMT-VWLOTQADSA-N 446.591 5.616 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(F)cc2F)=C(O)C(=O)N1[C@H](C)c1ccccc1 1862412241 ZOWHNJZKUFJMAE-WAIKUNEKSA-N 433.454 5.613 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2ccc(F)cc2)c1 1862413126 WGMOLNAUBWIIBV-JOCHJYFZSA-N 437.417 5.191 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@@H]2c2cccc(O)c2)cc1 1862431041 YHBUHDUKRSRWBQ-QFIPXVFZSA-N 433.891 5.133 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc([N+](=O)[O-])cc1 1862435669 BLUZHBHFHDIJRZ-HXUWFJFHSA-N 442.899 5.407 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC2=CCCCC2)cc1O 1862480431 GZMKUWVDQMSGGV-XMMPIXPASA-N 447.531 5.178 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCCC2)cc1 1862482047 IKDNHAQOWVUGBZ-VWLOTQADSA-N 446.591 5.752 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccc(Cl)cc2)cc1 1862507359 JLDVUKLFPHRTDI-QHCPKHFHSA-N 449.909 5.874 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2ccc(O)cc2)ccc1F 1862507733 SGZYEXVSZVGKBL-XMMPIXPASA-N 445.490 5.051 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1cccc(Cl)c1 1862592064 UUZYSIBUDJNKPE-MMACOIQUSA-N 425.912 5.203 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccccc1C 1862613591 KXCHILVQNSMZKR-QHCPKHFHSA-N 435.564 5.297 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)OCO3)=C(O)C(=O)N1C1CCCCCCC1 1862626000 RRILTWQLOQXTLE-DEOSSOPVSA-N 447.531 5.415 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 1862729328 WMKWAXKHVALNDH-RUZDIDTESA-N 439.555 6.249 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1C 1862870195 BFVQHEAFRVUWRO-UHFFFAOYSA-N 441.918 5.534 30 10 IKEE COc1ccccc1C1=C(Nc2cccc(C#N)c2)C(=O)N(c2ccc3ccccc3c2)C1=O 1863054696 BDQINAWEEHFLRI-UHFFFAOYSA-N 445.478 5.117 30 10 IKEE Cc1ccc(NC2=C(c3ccc(F)c(C)c3)C(=O)N(c3cccc(C#N)c3)C2=O)c(C)c1 1863094926 HWFBXBBVNOBTDY-UHFFFAOYSA-N 425.463 5.019 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2F)=C(c2ccccc2Cl)C1=O 1863438707 JFTHHDCDNGFLLM-UHFFFAOYSA-N 428.935 6.032 30 10 IKEE Cc1cc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(Cc3cccc(Cl)c3)C2=O)ccc1F 1863460775 DNEQNYIBMAFFKA-UHFFFAOYSA-N 445.881 5.051 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCC)=C(c2ccc(OCCC)cc2)C1=O 1863683257 FTYGFYBBAGRKDA-UHFFFAOYSA-N 442.644 6.086 30 10 IKEE CCCC[C@H](NC(=O)/C=C(/c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1cccc(C#N)c1 1866691349 NVSRSHXVOCHOJL-WWNGRIQCSA-N 429.564 5.282 30 10 IKEE Cc1cccc(N(Cc2cccnc2)c2cc(Nc3ccc(C#N)cc3)nc(C(C)C)n2)c1 1868242376 NCSFDGMAXAXGCO-UHFFFAOYSA-N 434.547 6.257 30 10 IKEE COc1ccccc1[C@@H]1c2ccccc2CCN1c1cc(Nc2ccc(C#N)cc2)nc(C)n1 1868497220 YISBXNMZWZHGBU-NDEPHWFRSA-N 447.542 5.561 30 10 IKEE CC[C@H]1CCCN1c1cc(Nc2ccc(C#N)cc2)nc(-c2ccc(C(C)(C)C)cc2)n1 1868552958 MVDDFVDEJNDHCO-QHCPKHFHSA-N 425.580 6.435 30 10 IKEE C=CCN(CC=C)c1cc(N(Cc2cccnc2)c2cccc(C)c2)nc(C(C)(C)C)n1 1869189726 MJOUETJKUUPVKE-UHFFFAOYSA-N 427.596 5.994 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N(CCC)CCCC)nn1-c1ccc(OC)cc1 1870006893 RSBNXMGNJADRNL-UHFFFAOYSA-N 443.636 5.982 30 10 IKEE C=CCn1cc(OCCC)c(=O)cc1CSc1nc2ccccc2n1-c1ccccc1 1870180132 RLIMBIZYSUUSCT-UHFFFAOYSA-N 431.561 5.454 30 10 IKEE CCCCCCCCn1cc(OCC(=O)NCC)c(=O)cc1CSCc1ccccc1 1870290049 LUZHHCRSNNAASJ-UHFFFAOYSA-N 444.641 5.157 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(Cl)cc2)c(=O)cc1CN1CCOCC1 1870439253 TZRIASOCVNZWIY-UHFFFAOYSA-N 447.019 5.273 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)OC)c(=O)cc1CN1C[C@H](C)C[C@@H](C)C1 1870449027 UOOJBZVTRYLHHW-FGZHOGPDSA-N 448.648 5.019 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)cc2)c(=O)cc1CNc1cccc(Cl)c1C 1870861687 PCPHLTFKFICYMH-UHFFFAOYSA-N 429.347 5.841 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2)c(=O)cc1CNc1ccc(CC)cc1 1870897895 ALRVREDKSIJHSD-UHFFFAOYSA-N 446.635 6.962 30 10 IKEE C=CCn1cc(OCCc2ccc(OC)cc2)c(=O)cc1CNc1cccc(C(C)(C)C)c1 1871050897 GXJSFUXHQURYMD-UHFFFAOYSA-N 446.591 5.574 30 10 IKEE CCCCCCCCCCn1cc(OCCC)c(=O)cc1CNc1cc(C)ccc1C 1871106647 SXVZJXMBNDMFBN-UHFFFAOYSA-N 426.645 7.007 30 10 IKEE CCCCCCCCN=c1[nH]c(Nc2ccc(Br)cc2C)ncc1[N+](=O)[O-] 1871310973 LKJGHXHHSJJEEC-UHFFFAOYSA-N 436.354 5.394 30 10 IKEE CCOc1ccc(CCN2COc3cc(C)c4c(c3C2)OC(=C(C)C)C4=O)cc1OCC 1871345592 QAIVKBOMJNWLQC-UHFFFAOYSA-N 437.536 5.056 30 10 IKEE CCCCOCCCN1COc2ccc3c(c2C1)O/C(=C\c1c(F)cccc1Cl)C3=O 1871350666 OUOKKAXCRTUFNN-XKZIYDEJSA-N 445.918 5.454 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc2c(c1C)O/C(=C\c1cccs1)C2=O 1871370861 CQVHMFIQMWHBRL-JCMHNJIXSA-N 434.513 5.746 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OC(=O)c3cccc(OC(=O)C(C)C)c3)ccc2C1=O 1871390390 UDAYQUGWFQPBIS-OYKKKHCWSA-N 442.467 5.392 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4c(C)cc(C)cc4C)ccc3C2=O)c1 1871402286 HFORJPZPLQUKQN-PUDRWSQFSA-N 441.527 5.942 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OCCOc3ccc(C(C)(C)C)cc3)c2C)C1=O 1871415048 SULBMUWDWPACQR-ITYLOYPMSA-N 442.555 6.675 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cc(C)cc(C)c4)ccc3C2=O)cc1 1871454058 GNESCTPYOSBJCW-QFEZKATASA-N 443.499 5.336 30 10 IKEE CCCCCCCCN=c1nc(N2CCC[C@H](C)C2)[nH]c(=Nc2cccc(Cl)c2C)[nH]1 1871491594 IUSMFWOMXDSDSS-SFHVURJKSA-N 445.055 5.430 30 10 IKEE CCCCCCCCN=c1nc(N2C[C@@H](C)C[C@@H](C)C2)[nH]c(=Nc2ccc(C)c(F)c2)[nH]1 1871579582 BZLPOHDAIBNYTC-KDURUIRLSA-N 442.627 5.161 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)cc1)[C@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1871775957 JLYOGWXGBHEWKL-DVECYGJZSA-N 442.625 5.232 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)Cc3cc(Cl)ccc3Cl)n2)cc1 1872761993 ASYGJVZPADFACT-LJQANCHMSA-N 443.399 6.878 30 10 IKEE CC(C)(C)c1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1 1872777600 RKFUSHADMXDDNG-YPNIWSFNSA-N 425.557 6.479 30 10 IKEE COc1c(Cl)cc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(C)cc3)n2)cc1Cl 1872785987 YGUGVOWFUPLPHP-WAVCKPEOSA-N 443.355 6.324 30 10 IKEE CCc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)cc1 1872787778 RCONXYHVDGBGIY-JOCHJYFZSA-N 448.588 6.033 30 10 IKEE N#C[C@@H](C(=O)Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(Cl)s2)cs1 1872789812 VVGTZQWEWXCGNI-JTQLQIEISA-N 427.765 6.251 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2C(C)(C)C)=C(c2ccccc2Br)C1=O 1873253971 WWPAFRYXRXNQJS-UHFFFAOYSA-N 439.353 5.125 30 10 IKEE Cc1cc(C)c(C2=C(Nc3ccc(C#N)cc3)C(=O)N(Cc3cc(C)ccc3C)C2=O)c(C)c1 1873331997 NGRGLPLHZQBCMX-UHFFFAOYSA-N 449.554 5.493 30 10 IKEE CCCOc1c(OC)cc(/C=N/Nc2oc([C@H]3C[C@@H]3c3ccccc3)nc2C#N)cc1OC 1873471339 ZNCQJXOFDULTPA-JHKBNBFDSA-N 446.507 5.069 30 10 IKEE Cn1c(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C(F)(F)F)cc2ccccc21 1873500452 WODPYRHWFYYAOK-OPEKNORGSA-N 449.889 5.617 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C(C)(C)C)cc2)cc2c(NCCCCCC)ncnc21 1873639219 XFMTYQLRDGASJD-UHFFFAOYSA-N 433.600 6.159 30 10 IKEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3ccc(C(C)(C)C)cc3)c(=O)oc2c1 1873911914 XYKLTWSEPHMAEV-UHFFFAOYSA-N 433.548 5.925 30 10 IKEE CCCc1ccc(OCc2nnc(SCC)n2/N=C/c2cc(Cl)ccc2O)cc1 1874257932 VKSIEZFUFMAREL-YDZHTSKRSA-N 430.961 5.163 30 10 IKEE Cc1cccc(/C=N/n2c(CCc3ccccc3C)nnc2SCc2cccc(C)c2)c1 1874361380 RABCZRHLWIRKHI-MTDXEUNCSA-N 440.616 6.163 30 10 IKEE Oc1ccc(/C=N/n2c(CCc3cccs3)nnc2SCc2ccccc2F)cc1 1874371872 VYXDABLBXVWOIR-ZVHZXABRSA-N 438.553 5.144 30 10 IKEE Cc1ccsc1/C=N/n1c(Cc2cccs2)nnc1SCc1cccc(F)c1 1874412049 ZHRLYZDGJKWAOU-WSDLNYQXSA-N 428.583 5.614 30 10 IKEE CCc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2cccc(F)c2)cc1 1874417297 GYJDNZLUQJTYMD-WPWMEQJKSA-N 430.552 5.745 30 10 IKEE Cc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2cccc3ccccc23)cc1 1874418923 OPWKLOPDAUALCS-VUTHCHCSSA-N 448.595 6.505 30 10 IKEE C(=N/n1c(SCc2cccc3ccccc23)nnc1-c1cccs1)\c1cccnc1 1874423837 HXWIHNFXPCDTID-MFKUBSTISA-N 427.558 5.729 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(SCc2ccccc2)nnc1[C@H]1CCCO1 1874445244 CCFJWVKBVXCFPB-VUEBRRCKSA-N 444.560 5.466 30 10 IKEE Clc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2[C@H]2CCCO2)c(Cl)c1 1874448367 ACTOSEDWBVZLID-ANRKENSESA-N 447.391 5.653 30 10 IKEE C=CCSc1nnc([C@@H]2CCCO2)n1/N=C/c1ccc(OCCCCC)c(OCC)c1 1874448554 FZFNAICBOWXOEE-MHIQDMOBSA-N 444.601 5.258 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2c(F)cccc2Cl)nnc1[C@@H]1CCCO1 1874453277 GBMUGLWUBQYWCZ-OGBFJMLUSA-N 430.936 5.405 30 10 IKEE CC(C)COC(=O)CSc1nnc(C2CCCC2)n1/N=C/c1ccc(C(C)C)cc1 1874457656 ZRVJOBCNYCKKAZ-ZMOGYAJESA-N 428.602 5.233 30 10 IKEE Fc1cccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C(F)(F)F)c1 1874462182 LCGODDVLWLFXNN-RPPGKUMJSA-N 430.430 5.764 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccccc3Cl)nnc2-c2ccco2)c1O 1874467122 SEUIIZYYAUIHFC-FSJBWODESA-N 440.912 5.080 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(C2CCC2)n1/N=C/c1ccccc1C 1874495186 ZCOHKNMDKYFTAQ-MFKUBSTISA-N 433.581 5.029 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(Cl)cc1 1874511036 HTALMDLJOCMNEJ-FOKLQQMPSA-N 439.799 6.365 30 10 IKEE Sc1nnc(CCCOc2ccccc2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874563922 DSMSFENAJBPTKI-NLRVBDNBSA-N 444.560 5.040 30 10 IKEE Cc1ccc(CCc2nnc(S)n2/N=C/c2ccc(OCc3ccccc3)cc2)cc1C 1874564834 VDIADIIAMPAJRN-WPWMEQJKSA-N 442.588 5.430 30 10 IKEE Cc1cccc(NC(=O)COc2ccccc2/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1C 1874569928 KNBICUUGLIILQB-BUHFOSPRSA-N 430.460 5.125 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1cccc([N+](=O)[O-])c1 1874571582 VJDVDQKUXKADCY-CSKARUKUSA-N 444.915 5.172 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCc3ccccc3F)ccc3ccccc23)cc1OC 1874573003 PVAXVMDOVYRRRN-BUHFOSPRSA-N 442.486 6.471 30 10 IKEE COc1c(Br)cc(Br)cc1/C=C/C(=O)c1ccc(F)c(C)c1 1874581353 JOGSOPYNYKTHBT-GQCTYLIASA-N 428.095 5.564 30 10 IKEE C=C(C)COc1c(OC)ccc(/C=C/C(=O)c2cc(C)ccc2OC)c1Br 1874597080 SQAMDAUUQKMQEX-VQHVLOKHSA-N 431.326 5.626 30 10 IKEE O=C(COc1cccc(/C=C/C(=O)c2cccc3ccccc23)c1)Nc1ccccc1F 1874597359 HUFMGIBVPHKPGV-FOCLMDBBSA-N 425.459 5.893 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1OCc1ccccc1Cl 1874599339 IECUVFQCOORQHJ-ZRDIBKRKSA-N 434.963 7.057 30 10 IKEE CCc1ccccc1NC(=O)COc1c(OC)cc(/C=C/C(=O)c2ccccc2)cc1OC 1874614261 AZPYQRWQQVOOFO-CCEZHUSRSA-N 445.515 5.180 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c([N+](=O)[O-])c2)cc1 1874616178 MLCLDFBBLGMZHA-BJMVGYQFSA-N 442.298 6.685 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OCC(=O)NC1CCCCC1 1874618272 RVHXWWBMVLGUJN-WYMLVPIESA-N 435.564 5.426 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCc3ccccc3OC)c2)cc1 1874696423 VVRSRGFBCNGJPU-XDJHFCHBSA-N 442.555 6.472 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)c1)c1cccc(Cl)c1 1874699056 BKVWQHFSUOZFJA-LVIAPQIJSA-N 437.322 6.599 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1)c1ccc(Cl)cc1 1874700952 UWYPYSQYOLWFPG-NYYWCZLTSA-N 442.254 6.017 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2ccc(C)cc2C)cc1OC(=O)CC(C)C 1874702320 NKTWXBJXHSGJQJ-VQHVLOKHSA-N 445.353 5.922 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(CC)cc3)cc2OC)c1 1875101990 UWWKSPQBBUXKPN-RVDMUPIBSA-N 430.500 5.772 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)ccc1OC(=O)c1ccccc1OC 1875103461 ZWMXEDUZCSQLQW-FOWTUZBSSA-N 430.500 5.772 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1OC 1875104193 KZPPXEOMKGARFY-RMKNXTFCSA-N 441.738 6.647 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(OCC)c(OC(=O)C(C)C)c([N+](=O)[O-])c2)cc1 1875106640 YCPLLQYLUGBYTK-SDNWHVSQSA-N 439.508 5.794 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1 1875111910 SKYLNTFPAXSACN-OQLLNIDSSA-N 425.311 6.428 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3ccccc3C)c(OC)c2)cc1 1875112607 LSVGZNYSNRBEPZ-NTEUORMPSA-N 432.472 5.136 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)c([N+](=O)[O-])c1)c1ccccc1 1875127337 ZOTRWDIECRTBBP-FRBHRHKVSA-N 447.874 5.853 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)Cc1ccc(C)c(C)c1 1875139817 BMBQJELCCSZJOR-ZRDIBKRKSA-N 428.528 5.973 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC(=O)CC1CCCCC1 1875145679 STUVFQDCWFXYFQ-ACCUITESSA-N 436.548 6.174 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1[N+](=O)[O-] 1875155146 OMVXFXJVCSOSCR-FYWRMAATSA-N 443.499 6.520 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1Cl 1875162335 IFWPCXVLSQJGLK-UXBLZVDNSA-N 428.818 5.742 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)ccc1OC(=O)C1CCC1 1875181467 IHOIGMURSSPHKY-CSKARUKUSA-N 428.912 5.657 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3c(C)cc(C)cc3C)cc2)cc1 1875182471 FMYSZHHXMYHLKS-XNTDXEJSSA-N 428.528 6.055 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)N(Cc1ccccc1)Cc1ccccc1)n2CCC 1875204547 SIDXVEMXFFDQJA-UHFFFAOYSA-N 439.563 5.282 30 10 IKEE CCC[C@H](CS)CSc1cc(I)ccc1Br 1900791294 HGJYUWUDMFGXSL-SECBINFHSA-N 431.202 5.492 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)NCCC 1922117860 DCPVXVPRWCYXSD-JWQCQUIFSA-N 444.660 5.991 30 10 IKEE CCCCCCC[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](F)C(=O)O 1927472529 OFEMWOADDLGDME-OZXSUGGESA-N 441.543 6.067 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)cc1 1945524707 NPMUTLPTOFHZBC-DFQSSKMNSA-N 429.561 5.274 30 10 IKEE CC(C)(C)OC(=O)N(CCNc1ccc(C(F)(F)F)c(C#N)c1)OCc1ccccc1 1998960524 LBLDVBADRCOPDC-UHFFFAOYSA-N 435.446 5.358 30 10 IKEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1999929750 DHVJWQOQVQTHDT-GAJHUEQPSA-N 449.617 5.415 30 10 IKEE CCN[C@]1(C#N)C[C@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)CCC1(C)C 2037862992 KVOHWMYYKQJUND-IAPPQJPRSA-N 432.656 5.071 30 10 IKEE Cc1ccc(S(=O)(=O)N=C2C=C(Nc3ccc(Cl)cc3)C(=O)c3ccccc32)cc1 2040572457 LVZFJEWUZGATPC-UHFFFAOYSA-N 436.920 5.019 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)C1CC2(CCCN(C(=O)OC(C)(C)C)C2)C1 2041638103 DHQCAWFHUIHLGK-BPLQSXGDSA-N 442.644 5.555 30 10 IKEE Cc1ccc([C@@H](n2nc(C(F)F)c(C#N)c2I)C(C)(C)C)cc1F 2079015719 ZBSNWFFIXBCBEU-CQSZACIVSA-N 447.242 5.380 30 10 IKEE C[C@@H](c1ccc(C2CCC2)cc1)n1nc(C(F)(F)F)c(C#N)c1I 2079998148 MVMKXSYPHWQUAD-JTQLQIEISA-N 445.226 5.255 30 10 IKEE CC(C)(C)OC(=O)N1CCC(c2c(C3CCCCC3)nn3c(Cl)c(C#N)cnc23)CC1 2081499141 JEMWWURYSIWJFO-UHFFFAOYSA-N 443.979 5.417 30 10 IKEE CCCCCCCC[C@H](C)NC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C 2212662580 RYGVZTMMBCJYPM-SFHVURJKSA-N 429.646 5.133 30 10 IKEE N[C@@H](C#Cc1ccccc1Br)c1ccc(Br)cc1Br 2227469938 DXKJOCZUYGFCIE-HNNXBMFYSA-N 443.964 5.026 30 10 IKEE O[C@H](C#Cc1ccccc1Br)c1cc(Br)cc(Br)c1 2227480790 DVAIZNZJKWUDPV-OAHLLOKOSA-N 444.948 5.059 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)cc1CC 2229252563 SAGNQQIHKFGBBJ-RTBURBONSA-N 425.411 5.522 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@H](C#N)c1c(F)ccc(Br)c1F 2231229225 WCAZLAYOJKBCNP-CQSZACIVSA-N 443.313 5.791 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](C#Cc1ccccc1Br)NCCC 2235733770 UTGKYMPNEPIEDY-UXHICEINSA-N 435.406 5.028 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)CCC[C@@H](CC)NC(=O)OC(C)(C)C 2235747691 RWHZWZSZCLXVNJ-MOPGFXCFSA-N 437.422 5.252 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1c(F)cc(F)cc1F 2235813171 KJAPDXHZFZNMEN-MRXNPFEDSA-N 441.247 5.873 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@H]2CCCC[C@@H]2N(C(=O)OC(C)(C)C)C1 2246639784 ZQZYYXNNGMTXAK-IMWIBFENSA-N 435.609 5.341 30 10 IKEE Cc1cc(NC(=O)OC(C)(C)C)ccc1Oc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2267818379 DZLMJEOHPWUVTL-UHFFFAOYSA-N 440.349 5.016 30 10 IKEE C=CCSc1ccccc1N[C@@H](C)c1cc(Br)c(Br)s1 2281269749 CSFABHUKYIRCGO-JTQLQIEISA-N 433.234 6.724 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)CC(C)(C)[C@@H](C)NC(=O)OC(C)(C)C 2296296775 RHYHAAZWROKXBD-VQIMIIECSA-N 437.422 5.108 30 10 IKEE CCCCN(CCCC)Cc1c(O)ccc2c1OC(=Cc1ccc(C(=O)OC)cc1)C2=O 2296606476 CWPAXVVMKCWARC-UHFFFAOYSA-N 437.536 5.197 30 10 IKEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccc(C)cc2)cc1 2296936300 LKDWWGIPGQVYER-QFIPXVFZSA-N 440.524 5.539 30 10 IKEE COc1ccc(C=C2Oc3c(ccc4c3[C@H](c3ccnc5ccccc35)CC(=O)O4)C2=O)cc1 2297596352 XHQWTGPOCVGBEE-NRFANRHFSA-N 449.462 5.301 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CCCC12CN(C(=O)OC(C)(C)C)C2 2301375755 KDLUETZEPJNVRP-PKTZIBPZSA-N 428.617 5.165 30 10 IKEE CCCCOc1ccc(C=Nn2c(CC)nnc2SCCc2ccccc2)cc1OC 2321010362 YELSDOWISLBMJJ-UHFFFAOYSA-N 438.597 5.245 30 10 IKEE O=C1C(=Cc2ccc(Cl)c(Cl)c2)Oc2c1ccc1c2CN(Cc2cccnc2)CO1 2321968698 GFLZJTOEHYGTCX-UHFFFAOYSA-N 439.298 5.357 30 10 IKEE CCCCOc1ccc(C=Nn2c(S)nnc2Cc2ccc(Cl)cc2)cc1OCC 2322035033 KZTNUYBGIZXWKG-UHFFFAOYSA-N 444.988 5.271 30 10 IKEE CC[C@@H](C)N1COc2cc(C)c3c(c2C1)OC(=Cc1cccc(Br)c1)C3=O 2322092245 KHVDJQJLKPPIQK-CQSZACIVSA-N 428.326 5.324 30 10 IKEE Cc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2cccc(Cl)c2)C4)cc1 2322214278 LGWDNFCWMSIGSE-UHFFFAOYSA-N 431.919 5.925 30 10 IKEE CCCCCCCCCCN1COc2c(cc3c(c2C)OC(=Cc2ccc(C)o2)C3=O)C1 2322391130 NLXJRGIOAHAAMM-UHFFFAOYSA-N 437.580 6.805 30 10 IKEE CCCCCCCCN1COc2c(cc3c(c2C)OC(=Cc2ccc(C(C)C)cc2)C3=O)C1 2322415839 YVZBMRQIEHSJKI-UHFFFAOYSA-N 447.619 7.247 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2c(OCC(=O)OCC(C)C)ccc3ccccc23)cc1 2322607310 QTJNIQBHGOESJP-UHFFFAOYSA-N 446.543 6.103 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(F)c(C)c2)c1OCc1ccc(Cl)cc1 2322634633 ZCBMNEANGGHSKF-UHFFFAOYSA-N 445.317 6.925 30 10 IKEE C=CCOc1ccc(Br)cc1C=CC(=O)c1ccc(Oc2ccccc2)cc1 2322807027 JYQPVDXCVUKXHU-UHFFFAOYSA-N 435.317 6.702 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2cc(Cl)ccc2Cl)c1OCc1ccccc1 2322999561 NJAXYELOFNAFHL-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3cc(C)ccc3C)c2)c1 2323069076 OKGQRIIFSAURTQ-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1OCc1cccc(C)c1 2323327353 WAHRNGNAMJJXJC-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1)Nc1ccccc1F 2323419955 ZOFPKCKVFSCJME-UHFFFAOYSA-N 429.491 5.618 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 2323519185 VXVFHGNABVFCLG-UHFFFAOYSA-N 446.261 6.516 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(OC)c2)C3=O)CC1 2323652503 UURUYPNKMUYWIX-UHFFFAOYSA-N 448.559 6.522 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OCC(=O)NCc1ccccc1 2323812783 IOHOLTWIRAJOTC-UHFFFAOYSA-N 449.934 5.330 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OCc1ccc(C(=O)OCC)o1 2323816352 WUDYNRVLCKFEEK-UHFFFAOYSA-N 446.499 5.669 30 10 IKEE C=CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(OC)cc2)C3=O)cc1 2323865096 GKERZYVTBCWHOZ-UHFFFAOYSA-N 442.467 5.404 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OCc1cccc(Cl)c1 2323959991 RFLPOGZROLXZBP-UHFFFAOYSA-N 446.974 7.169 30 10 IKEE Cc1cc(O)c(CN2C[C@@H](C)C[C@@H](C)C2)c2c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O2 2324055066 PHBJWYFOSQQUBW-HDICACEKSA-N 433.592 6.092 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(OC)c1OCc1ccccc1F 2324097936 VTTAHVVQYBHUHQ-UHFFFAOYSA-N 446.474 5.767 30 10 IKEE COc1ccc(OC)c(C=C2Oc3c(ccc(OCCCc4ccccc4)c3C)C2=O)c1 2324272531 UUQCDQVWKHCGFG-UHFFFAOYSA-N 430.500 5.640 30 10 IKEE Cc1cccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccc(F)cc4)cc(C)c3C2=O)c1 2324319715 BUEWLYXSENHTLM-QGZVFWFLSA-N 431.463 5.465 30 10 IKEE CCOc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2sccc2C)C3=O)cc1 2324521363 NZFGXZWGZIIBLL-INIZCTEOSA-N 449.528 5.477 30 10 IKEE N#C[C@H](C(=O)C=Cc1ccc(Cl)cc1Cl)c1nc(-c2cccc3ccccc23)cs1 2324637571 OFKWSDGMNBVLAM-HXUWFJFHSA-N 449.362 7.160 30 10 IKEE COc1cc(C=C2Oc3cc(OCc4ccccc4)cc(C)c3C2=O)cc(OC)c1OC 2324844507 YGBURDIZHVORDD-UHFFFAOYSA-N 432.472 5.216 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OCC(=O)Nc3c(C)cccc3C(C)C)ccc2C1=O 2324989888 OJALGWLRYPMEDY-UHFFFAOYSA-N 447.556 6.122 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3)n2N=Cc2ccccc2F)c1 2325449138 CRHBDILWYPGTFZ-UHFFFAOYSA-N 444.579 5.994 30 10 IKEE Clc1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccco2)cc1Cl 2325494642 HKKGKTGLMPBOER-UHFFFAOYSA-N 443.359 5.943 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1cccc(Cl)c1 2325540985 BSVWNGNDUDIGPG-UHFFFAOYSA-N 437.371 6.241 30 10 IKEE CCOc1cccc(C=Nn2c(CC)nnc2SCc2ccc(Cl)c(Cl)c2)c1 2325610340 JITGQSTVKNUFFQ-UHFFFAOYSA-N 435.380 5.721 30 10 IKEE Cc1nnc(SCc2ccccc2F)n1N=Cc1ccc(OCc2ccccc2)cc1 2325630994 FWCSQQQPPDZQKN-UHFFFAOYSA-N 432.524 5.479 30 10 IKEE COc1ccccc1C=C1Oc2cc(OCc3cc(=O)oc4ccc(C)cc34)ccc2C1=O 2325741438 ZYGQJNYDPLIMDL-UHFFFAOYSA-N 440.451 5.305 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OC(=O)CCCOc2ccc(C)cc2)c1 2325743403 HOXXZZYWILSGPL-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE COc1ccccc1CCC(=O)Oc1cccc(C=CC(=O)c2ccc(OC)c(C)c2C)c1 2325755728 WGGNQHYANBHSBU-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE CC(C)(C)c1cc(C=Nn2cnnc2SCc2ccccc2F)cc(C(C)(C)C)c1O 2326255225 UBORUGSFNDPPJM-UHFFFAOYSA-N 440.588 5.892 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1c(O)ccc2ccccc12 2326681538 QFAFUVOLEWIJCS-UHFFFAOYSA-N 441.560 5.526 30 10 IKEE CCOc1cc(C=Nn2cnnc2SCc2ccc(Cl)cc2Cl)ccc1OC 2326691216 GUQUOMDCIKPBOV-UHFFFAOYSA-N 437.352 5.167 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccc(C)cc3)n2N=Cc2ccccc2)CC1 2328110472 SVVNZLXFKJMALZ-UHFFFAOYSA-N 446.664 7.225 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(OC)cc2)n1N=Cc1ccccc1Cl 2328383613 ZWRWHVALPDTBFZ-UHFFFAOYSA-N 428.945 5.070 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2ccccc2F)cc1 2328567799 DEWFCWYAASQHQF-UHFFFAOYSA-N 446.551 5.581 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1ccc(C(=O)OC)cc1 2328944817 ACRIYUBOPQBAHR-UHFFFAOYSA-N 448.592 5.017 30 10 IKEE Cc1cccc(C=Nn2c(Cc3ccc(C)c(C)c3)nnc2SCc2cccc(F)c2)c1 2329405438 HBUJCNMXEBJVCP-UHFFFAOYSA-N 444.579 6.108 30 10 IKEE Cc1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2-c2ccccc2Cl)cc1 2329524572 OQLFJMPHWJYMKC-UHFFFAOYSA-N 432.980 6.390 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccccc3Cl)n2N=Cc2ccccn2)cc1 2329604473 PEMBFNSDAGXVBR-UHFFFAOYSA-N 440.359 5.821 30 10 IKEE Clc1cccc(CSc2nnc(-c3ccccc3Cl)n2N=Cc2ccccc2)c1 2329611294 MMKVTXDAVHQMDY-UHFFFAOYSA-N 439.371 6.426 30 10 IKEE Cc1ccsc1C=Nn1c(SCc2cccc(F)c2)nnc1[C@H](C)c1ccccc1 2330078568 RPAMLJCGURKAMT-QGZVFWFLSA-N 436.581 6.113 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2cccc(Cl)c2)nnc1[C@@H](C)c1ccccc1 2330133749 KPWZVNWTLFMWGB-IBGZPJMESA-N 447.007 6.566 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2)ccc1OC(=O)COc1ccccc1 2330874286 LHNWCPHEBCYIJW-UHFFFAOYSA-N 446.499 5.283 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3cccc(Br)c3)cc2)c1 2330994231 ZSPLTPYYPPVDDP-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(Br)c2)cc(OC)c1OC(=O)C(C)C 2331007195 FNLVBHFDIRNUPZ-UHFFFAOYSA-N 443.337 5.644 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)Cc1ccc(C)cc1 2331230037 DMNKPGOEWBIPIF-UHFFFAOYSA-N 428.528 6.055 30 10 IKEE COCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccc(C(F)(F)F)cc1 2331282317 DMMKNDRCZADJQV-UHFFFAOYSA-N 448.514 5.277 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(C(C)(C)C)n1N=Cc1cccc(C)c1 2331373260 RVOLGZJZTIMKQN-UHFFFAOYSA-N 435.597 5.059 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)CCc1ccccc1C 2331535267 BQKUYAZNJKNIES-UHFFFAOYSA-N 432.491 5.967 30 10 IKEE CCCSc1nnc(COC)n1N=Cc1c(OCc2ccccc2)ccc2ccccc12 2331592613 HRKGPLCDYVGCJC-UHFFFAOYSA-N 446.576 5.541 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CC3CCCCC3)c(Cl)c2)c(C)c1C 2331613074 PMXFAHYUPUWVFT-UHFFFAOYSA-N 440.967 6.737 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2ccc(OC(=O)CC(C)C)c(OC)c2)cc1Cl 2331703228 LBMCNARDSDXAET-UHFFFAOYSA-N 432.900 5.213 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2OCC)cc1 2331709326 DZABLKYSZJPVRT-UHFFFAOYSA-N 444.527 6.216 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3c(C)cc(C)cc3C)cc2)c(OC)c1 2331762817 ROADHVXOWKKEDP-UHFFFAOYSA-N 444.527 5.673 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)c2cccc(Cl)c2)cc1 2331786962 KAAACRVFXGBWGI-UHFFFAOYSA-N 432.947 7.061 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)cc(Cl)c1OC(=O)C1CC1 2331857331 CTSCHARFPDLZPH-UHFFFAOYSA-N 425.695 5.867 30 10 IKEE N#Cc1nnn(-c2ccc(F)c(Cl)c2)c1NC(=O)C(=Cc1ccccc1)c1ccccc1 2332188805 XJUUHEFPKVEXPV-UHFFFAOYSA-N 443.869 5.111 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1c[nH]nc1C(C)(F)F 2360822930 UTDFBKMRDWHHHF-AWEZNQCLSA-N 441.276 5.290 30 10 IKEE CN(c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2365069350 ZKYODDKGEPBTST-JYXVOHOBSA-N 448.416 5.546 30 10 IKEE C=CC/N=C(/c1ccc(C)cc1)n1c(=S)nc(-c2ccc(C)cc2)n(CC=C)c1=S 2712910 HNNMJZBHAKLUEC-DAFNUICNSA-N 432.618 6.094 30 10 IKEE COc1ccc2c(c1)O/C(=C\c1ccc(OC(=O)c3ccccc3Cl)c(OC)c1)C2=O 8823841 HBRWTTUEVAQFOD-UUYOSTAYSA-N 436.847 5.193 30 10 IKEE C=CCn1c(SCC(=O)c2ccccc2)nc2scc(-c3ccc(C)cc3)c2c1=O 8950477 RQTPVEUFZZHPJC-UHFFFAOYSA-N 432.570 5.594 30 10 IKEE C=CCN1C(=O)/C(=C/c2c(Cl)cccc2Cl)S/C1=N\c1ccccc1C(=O)O 16928641 ISEPCNKOMPXCLK-NKHYKUCGSA-N 433.316 5.482 30 10 IKEE CC(C)Oc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2c(F)cccc2Cl)cc1 21242018 VASOUMJEPHBDMS-NVXWUHKLSA-N 427.903 5.271 30 10 IKEE CC(C)(C)c1ccc(/C=C2\Oc3cc(OC(=O)c4ccccc4Cl)ccc3C2=O)cc1 33369151 PLNFEUIYJLANHI-UCQKPKSFSA-N 432.903 6.473 30 10 IKEE O=C(Oc1ccccc1/C=C1/Sc2ccccc2C1=O)c1ccc(Br)o1 33447964 DJLKLTPGRDBWDI-GZTJUZNOSA-N 427.275 5.591 30 10 IKEE COc1cc(C(=O)/C(=C\c2ccc(C)cc2)c2nc3ccccc3o2)cc(OC)c1OC 33920711 XGLXGSZNGFDZKV-CPNJWEJPSA-N 429.472 5.586 30 10 IKEE Cc1cccc(/N=C2/S/C(=C\c3ccc(Cl)cc3Cl)C(=O)N2c2ccccc2)n1 39863559 YLXYTSNMEUHQFI-VJEQAQGUSA-N 440.355 6.505 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1ccc(OC)cc1 40093605 DJLLKNGVSNHLLP-QHCPKHFHSA-N 437.536 5.169 30 10 IKEE Cc1c(C(=O)Nc2ccccc2Cl)oc2c1/C(=N/Nc1ccc([N+](=O)[O-])cc1)CCC2 40814756 HZMUULGRFZPWGE-NLRVBDNBSA-N 438.871 5.554 30 10 IKEE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)/C(=N/Nc3ccccc3)CCC4)c2n1 40824251 USOZNDGBHOIZPQ-ZTKZIYFRSA-N 425.488 5.816 30 10 IKEE CCCCCCCOc1ccc([C@]2(C)Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc1 100140896 CFQIBYMZCWICCF-YIXXDRMTSA-N 436.596 5.955 30 10 IKEE CC(C)COc1ccc(C(=O)N(CCC#N)CCc2ccccc2)cc1Br 100438082 WCRQXFJYGYNZJO-UHFFFAOYSA-N 429.358 5.082 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1ccccc1C(=O)NCCC 100443812 NEHUZORSUBMPQD-UHFFFAOYSA-N 447.689 6.341 30 10 IKEE COC(=O)c1ccc2c(c1)C(=O)/C(=C\c1cn(-c3ccccc3)nc1-c1cccs1)O2 102852235 REEPVHFGHHQHDO-DEDYPNTBSA-N 428.469 5.004 30 10 IKEE CCCCCCCCCCOc1ccc(C2=N/C(=C/C(C)=C\c3ccccc3)C(=O)O2)cc1 103378436 HAAJZFNWQFPTJC-WKVCDGSWSA-N 445.603 7.497 30 10 IKEE Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 107648753 OOGMSBAHOVKWDJ-LJQANCHMSA-N 444.947 6.075 30 10 IKEE O=C1/C(=C\c2cc(Cl)ccc2O)S/C(=N/Cc2ccccc2)N1Cc1ccccc1 109630313 SBCWKDXILIQATI-VBJFXANNSA-N 434.948 5.718 30 10 IKEE Sc1nnc(C2CCCCC2)n1/N=C\c1ccc(OCc2ccccc2)c(Cl)c1 169910076 KDMPPWMRVWZMCU-OYKKKHCWSA-N 426.973 5.729 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2cccc(C)c2)cc1 169922865 SMVRIGYGCUVXCU-XMMPIXPASA-N 439.467 5.533 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccc(N(C)C)cc2)c1 169953127 IYNHLFWXPCRRGK-AREMUKBSSA-N 440.543 5.163 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccc(O)cc2)c1 169960710 QOHZBRLHWCLSBW-RUZDIDTESA-N 427.500 5.111 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccc(O)cc2)c1C 169960924 RZEIHSZOAKFPER-QFIPXVFZSA-N 433.891 5.445 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2cccc(C)c2)cc1 169969305 BMCWVPRWQAOOTC-RUZDIDTESA-N 441.527 5.793 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(C)c1 169970501 DNUWZOBRTVNKIN-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1cccc(C)c1 169971346 WDRMMODERKOUDN-QHCPKHFHSA-N 449.453 5.373 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(OC(C)C)cc2)cc1 169977339 SCWBJQXLIQAVCW-RUZDIDTESA-N 441.527 5.819 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(O)c(Cl)c2)ccc1F 170042180 RVDKEIXPHVUWOT-NRFANRHFSA-N 443.902 5.404 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(Cl)cc2)c1 170056772 HSOZAJWYNYDOHW-HXUWFJFHSA-N 439.920 5.189 30 10 IKEE Cn1cc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2C2CCCC2)c2ccccc21 170085570 IBCNQTPATVQEPN-XMMPIXPASA-N 439.515 5.181 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(F)(F)F)cc3)[C@H]2c2ccco2)cc1 170095360 DFZKWBYVBHRZQO-IBGZPJMESA-N 427.378 5.390 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2sccc2C)cc1 170105777 JYFRLVQMYPPNPO-OAQYLSRUSA-N 433.529 5.465 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@@H]1c1cccc(OC)c1 170120634 GAARUKHCODWAIR-QHCPKHFHSA-N 437.536 5.124 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2cc(C)cc(C)c2OC)=C(O)C(=O)N1c1ccccc1 170122380 UEMGQNZYLGIKAH-HSZRJFAPSA-N 443.499 5.104 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2c2ccccc2C)c1 170142777 TWRMMKUHDBOTIQ-AREMUKBSSA-N 437.539 5.965 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2Cc2ccco2)c1 170144020 OZDXQKDWPJLTJI-DEOSSOPVSA-N 445.515 5.462 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@H]1c1ccc(C(C)(C)C)cc1 170150328 FGNIYPHBQSYRIX-OAQYLSRUSA-N 425.500 5.120 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2cccs2)c1 170153950 YWBLOGAKGBSXLK-QFIPXVFZSA-N 449.528 5.327 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2cccnc2)c(C)c1 170190478 NPFFAIIZFXUPLO-VWLOTQADSA-N 434.495 5.635 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccncc2)c1C 170203078 KZRQWFMTSISNHS-DEOSSOPVSA-N 442.515 5.269 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4)[C@H]3c3ccccc3)oc12 170226342 WZTLOWVQHKZRKK-QFIPXVFZSA-N 425.440 5.224 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccccc1 170227012 YPAQWOOZTTWOQF-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE COCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(C(C)C)cc1 170244454 NYRFGPGLWMPYFY-XMMPIXPASA-N 429.516 5.188 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccco2)cc1C(C)(C)C 170282877 OEXZIRYIUYWASA-QHCPKHFHSA-N 445.515 5.677 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(OC)c3)[C@@H]2c2ccco2)cc1 170283183 SFXPZSFEADIWQL-NRFANRHFSA-N 437.879 5.287 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccco1 170284281 RFZCNGBERVUASY-NRFANRHFSA-N 433.847 5.771 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccs4)[C@@H]3c3ccc(C)o3)oc12 170298199 BOSFGQPKMAFXHS-HXUWFJFHSA-N 449.484 5.183 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccc(C)o2)c1 170301980 IEIOGSQFGRXONY-QHCPKHFHSA-N 431.488 5.386 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2sccc2C)c1 170314321 KMEJSVNVWHGBFE-JOCHJYFZSA-N 447.556 5.935 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1sccc1C 170319713 IMOKHLXNHFTLBC-OAQYLSRUSA-N 437.605 6.183 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cccc(OC(C)C)c2)cc1C 170348421 ZSIHXYSSRPKFGW-HSZRJFAPSA-N 447.556 5.935 30 10 IKEE COc1cc(/C=C2\SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)ccc1O 252620931 MPKUGXXCDXKNSL-ARKVWGHASA-N 430.529 5.826 30 10 IKEE O=c1c2c(nc(NN=Cc3ccncc3)n1-c1ccccc1)-c1ccccc1CC21CCCC1 254486702 KXGQOUITEBFROH-UHFFFAOYSA-N 447.542 5.108 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Br)ccc1C)NCC 407593994 NFZGOQIZUXHCPJ-MOPGFXCFSA-N 425.411 5.138 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3cccc4ccccc34)[C@H]2c2ccc(O)c(O)c2)c1 526523036 ZESFENOZRIYATN-RUZDIDTESA-N 434.451 5.180 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(Cl)ccc2C)cc1 526709910 JDJFOPXCXGVQCQ-QHCPKHFHSA-N 447.918 5.830 30 10 IKEE CCCOc1ccc(/C=N\n2c(CC)nnc2SCc2c(F)cccc2Cl)cc1 526816614 BDJXWGVQYLRNDN-CFRMEGHHSA-N 432.952 5.596 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccccc1Cl 526817845 CHSKCZRERDEKHJ-MSXFZWOLSA-N 437.371 6.241 30 10 IKEE CC(C)Oc1ccc(S(=O)(=O)N(CCC2=CCCCC2)Cc2cccc(C#N)c2)cc1 586150611 KTQXEQUSHSIKGY-UHFFFAOYSA-N 438.593 5.427 30 10 IKEE C=CCN(Cc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(CCCCCC)cc1 586179852 KBFRKSVYRRZLCW-UHFFFAOYSA-N 427.654 6.484 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1cccc2c1OCC2 693157699 ZOPFZTFVKYOGMZ-SFHVURJKSA-N 429.314 5.390 30 10 IKEE 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 698416302 DEFTUKXYIQQIDL-PBKMULLSSA-N 445.604 5.094 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@H](C#N)c1ccc(Br)c(Cl)c1 698840043 NEJAULQRBRZENE-GOSISDBHSA-N 441.797 6.627 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 698883995 IUCFHODTSCLIPT-MWTRTKDXSA-N 433.524 5.106 30 10 IKEE Cc1ccc(COc2ccccc2/C=C2/SC(=Nc3cccc(C)n3)N(C)C2=O)cc1 1772730255 APTBCLSWPAIGAN-KHDUAGGOSA-N 429.545 5.511 30 10 IKEE Cc1nnc(N=C2S/C(=C/c3c(Cl)cccc3Cl)C(=O)N2c2ccccc2)s1 1772736784 JJNBOAQKNWQEJN-BTWTVLLVSA-N 447.372 5.962 30 10 IKEE Cc1ccc(NC(=S)N/N=C\c2cn(-c3ccc(C)cc3)nc2-c2ccc(C)cc2)cc1 1857811836 GPFQHRPGUHRWFH-YUMHPJSZSA-N 439.588 5.785 30 10 IKEE CC(C)Cc1cc(C(=O)Nc2ccccc2C#N)nn1Cc1ccc(Cl)c(Cl)c1 1859379706 XNRAAVWPOLUUDK-UHFFFAOYSA-N 427.335 5.561 30 10 IKEE COc1ccc(-c2nc3ccc(C(=O)Nc4sc(C)c(C)c4C#N)cc3o2)cc1OC 1859740513 HLTTWCOYXGIJEX-UHFFFAOYSA-N 433.489 5.314 30 10 IKEE N#Cc1c(NC(=O)COc2cccc(NC(=O)CC3CCCCC3)c2)sc2c1CCC2 1860124818 DNVMYZKNKDMHAW-UHFFFAOYSA-N 437.565 5.035 30 10 IKEE CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H](C)Oc1cccc(NC(=O)c2cccc(C#N)c2)c1 1860133713 XFBGPARIQSXONC-APTYZTEPSA-N 448.563 5.582 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)/C=C/c1ccc(Cl)cc1 1861099184 HCVOTLJTQMINGN-WNLUNTPQSA-N 435.052 6.285 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccccc2C)cc1C 1862401229 WOCAGEAMIGVRLV-XMMPIXPASA-N 433.548 5.613 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc(Cl)cc2)cc1C 1862402596 CASCPZDLOOWRKP-NRFANRHFSA-N 427.928 5.281 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@@H]2c2cccc(O)c2)c1 1862431009 XHJJLGHCHMONPT-QFIPXVFZSA-N 433.891 5.133 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(C(C)C)cc1 1862477300 KKTHHEAABCOSBY-RUZDIDTESA-N 449.591 5.904 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCOc2ccccc2)c1 1862489792 HCWGNFIKJSKXGN-RUZDIDTESA-N 441.527 5.269 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccc(F)cc2F)c1 1862491423 SJHRFYNCCYTMMT-MZNJEOGPSA-N 447.481 5.921 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2ccccc2)cc1 1862515725 VCBDLPJYSGGZMI-QHCPKHFHSA-N 447.556 5.358 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccccc2Cl)cc1 1862516852 YSBQFNPXBIEHMW-JOCHJYFZSA-N 441.955 5.753 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 1862518262 GAWXPRPSNPPQPV-HOYKHHGWSA-N 449.591 6.150 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2ccccc2C)cc1 1862554445 CYQIWMJYLHOKAB-BVZFJXPGSA-N 440.543 5.479 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccc3cc[nH]c3c2)c1 1862560090 DOAVVJZZQDMCLC-DEOSSOPVSA-N 441.531 5.219 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1cccc(C)c1 1862576350 SNFCTWKCHQDXHS-HSZRJFAPSA-N 437.536 5.171 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCCc2ccccc2)cc1 1862590392 HZCBXWQCSLGPDS-RUZDIDTESA-N 441.527 5.166 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2ccc(F)cc2)cc1 1862590502 KBBTUASOQHCVDP-UPCLLVRISA-N 445.490 5.433 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1cccc(O)c1 1862596287 DEDWPRPJGIUYHH-LJQANCHMSA-N 444.270 5.071 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc2cc[nH]c2c1 1862597280 YETCBUSFDALKTO-GBXCKJPGSA-N 446.547 5.811 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCCCCO)cc1 1862650443 WGUGSQRSAOXPDB-VWLOTQADSA-N 443.543 5.143 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(OCc2ccccc2)cc1 1862685008 LONCCSAMHKITPZ-DEOSSOPVSA-N 445.490 5.393 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2cccc(Cl)c2)cc1 1862689406 PYRVILYVLZQTDE-QMHKHESXSA-N 447.918 5.688 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 1862751698 OWCAGLQCOHMAOU-OAQYLSRUSA-N 448.862 5.027 30 10 IKEE COc1ccccc1NC1=C(c2cccc3ccccc23)C(=O)N(c2ccccc2C#N)C1=O 1862853712 BVDJXNGKBZYWJH-UHFFFAOYSA-N 445.478 5.117 30 10 IKEE C=CCN1C(=O)C(Nc2cc(C(F)(F)F)ccc2Cl)=C(c2cc(C)ccc2C)C1=O 1863408379 FWVKSKSFBKERGF-UHFFFAOYSA-N 434.845 5.354 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 1866029401 BWPNXEXZAXEJNN-DEOSSOPVSA-N 447.704 8.143 30 10 IKEE C=CCOc1cn(CCCCCCCCCC)c(CNc2cccc(Cl)c2)cc1=O 1870812876 MSTXQBGMVOIGFO-UHFFFAOYSA-N 431.020 6.819 30 10 IKEE CCCCCCCCn1cc(OCC(=O)NC)c(=O)cc1CNc1ccc(C(C)C)cc1 1871015630 RDTXFFLFTJICME-UHFFFAOYSA-N 441.616 5.069 30 10 IKEE Cc1cccc(CN2COc3ccc4c(c3C2)O/C(=C\c2ccc(C(C)(C)C)cc2)C4=O)c1 1871348051 NVBQXPWEVFIABE-YSMPRRRNSA-N 439.555 6.261 30 10 IKEE CCc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(CCCCN(CC)CC)C4)C2=O)cc1 1871355023 NLYAXIBYZPQLSC-XYGWBWBKSA-N 448.607 5.448 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)C2=O)/C(Cl)=C/c1ccccc1 1871377278 CZQLOFKXQUTBCW-OLKJNFRRSA-N 446.842 5.217 30 10 IKEE CC(C)(Oc1ccc(Cl)cc1)C(=O)Oc1ccc2c(c1)O/C(=C\c1cccnc1)C2=O 1871384984 UDJYGCPKSGPVJK-MTJSOVHGSA-N 435.863 5.114 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCCCCOc4cccc(C)c4)ccc3C2=O)cc1 1871403455 MSCNWFFUIVMQOS-IMRQLAEWSA-N 428.528 6.412 30 10 IKEE CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccccc2)C3=O)cc1 1871406866 LEPSFYPLAQBTPS-GJQHCVRFSA-N 443.499 5.416 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1 1871410887 JTGKCUWHDJUXPU-AOBKZXEFSA-N 427.500 5.580 30 10 IKEE COC(=O)c1ccc(/C=C2\Oc3cc(OCc4cc(C)c(C)cc4C)ccc3C2=O)cc1 1871417133 DGXFOACNZOPTGB-MXAYSNPKSA-N 428.484 5.594 30 10 IKEE CCCC[C@@H](Oc1cc(C)c2c(c1)O/C(=C\c1cn(CC)c3ccccc13)C2=O)C(=O)O 1871422970 KCVUPCRDXBNKMX-SGMQAHBGSA-N 433.504 5.608 30 10 IKEE Cc1c(OCC(=O)OCC(C)C)ccc2c1O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 1871427673 OLKGUICGSGHYBB-OCKHKDLRSA-N 435.303 5.496 30 10 IKEE CC(C)COC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 1871427735 QWWGLPZZDMIGIC-QFEZKATASA-N 428.484 5.548 30 10 IKEE CCOc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871452417 PGIXXTBDALARGU-OYKKKHCWSA-N 429.472 5.027 30 10 IKEE Cc1cc(Cl)ccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1cccs1)C2=O 1871454320 JNUNVXLBNQNDGC-JAIQZWGSSA-N 425.893 5.344 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(OCCCC)cc2)[nH]c(N2CCCC2)n1 1871614150 LPZCGXZOEDKXRC-UHFFFAOYSA-N 440.636 5.589 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(Cl)cc1)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1871892669 QIZOJTZMRCCLLW-GCJKJVERSA-N 449.016 5.269 30 10 IKEE CCOc1ccc(-c2nc([C@@H](C#N)C(=O)CSc3ccc(Cl)cc3)sc2C)cc1 1872727956 IJVFGUCZCJNMAN-IBGZPJMESA-N 442.993 6.139 30 10 IKEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1 1872770498 WNLHMJNPXBJMKQ-BBRMVZONSA-N 431.344 6.069 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@@H](C#N)C(=O)[C@H](C)Oc2ccc(Cl)cc2)n1 1872780462 IVVPVKKMOFPJQX-KXBFYZLASA-N 440.952 5.733 30 10 IKEE CCCOc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc1 1872788737 PGDQLHIXWRBMQL-LJQANCHMSA-N 440.952 5.680 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCOC(C)C)=C(c2ccccc2C)C1=O 1873099768 QYWAXGWDJPIOTL-UHFFFAOYSA-N 428.617 5.230 30 10 IKEE CCCCCCCCNC1=C(c2cc(F)cc(F)c2)C(=O)N(CCc2cccs2)C1=O 1873113434 SDQKKMGJBPRDJY-UHFFFAOYSA-N 446.563 5.299 30 10 IKEE CCCCCCCCNC1=C(c2c(C)cc(C)cc2C)C(=O)N(Cc2ccccc2)C1=O 1873121156 QEVHCSFYFGBWBV-UHFFFAOYSA-N 432.608 5.842 30 10 IKEE C=CCN1C(=O)C(Nc2cccc(Cl)c2Cl)=C(c2c(Cl)cccc2Cl)C1=O 1873289444 NDUHCWNKZYLVNY-UHFFFAOYSA-N 442.129 5.678 30 10 IKEE C=CCOc1ccccc1OCC(=O)Nc1ccccc1-c1nc(-c2ccc(C)s2)no1 1873445030 OUDXBBMKSSLESJ-UHFFFAOYSA-N 447.516 5.356 30 10 IKEE C=CCn1c(C(=O)Nc2cc(C)ccc2C)cc2c(NCCc3ccc(C)cc3)ncnc21 1873616834 KKNPVLCNVRHVDY-UHFFFAOYSA-N 439.563 5.449 30 10 IKEE CCCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1c[nH]c2ccccc12 1874271423 VFDHJHUCWCKQKE-WPWMEQJKSA-N 425.561 5.888 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1cccc(OC)c1O 1874287448 FQRLDQSPLAJSAW-LFVJCYFKSA-N 428.602 5.617 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(COc2ccc(C)c(C)c2)nnc1SCCC 1874321332 MFBQSKIKSGCFJV-PCLIKHOPSA-N 436.581 5.423 30 10 IKEE Cc1cccc(OCc2nnc(SCc3ccccc3F)n2/N=C/c2ccc[nH]2)c1C 1874323631 ZQVVXEQJIWKTRH-LGJNPRDNSA-N 435.528 5.116 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccccn1 1874336598 JPDFVPNFLNZMLH-CVKSISIWSA-N 433.968 5.400 30 10 IKEE Cc1ccccc1/C=N/n1c(CCOc2ccccc2)nnc1SCc1ccccc1F 1874347373 KVYBSHXVPQTGQV-WPWMEQJKSA-N 446.551 5.522 30 10 IKEE COc1cccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2cccc(C)c2)c1 1874406702 PHOKSILLNHDXJN-YZSQISJMSA-N 434.609 5.892 30 10 IKEE Cc1cccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccccc2Cl)c1 1874408423 WIDYSOAPVODHIC-WGOQTCKBSA-N 439.028 6.537 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874427782 ALZJLGYQTFIGGT-WPWMEQJKSA-N 440.572 6.075 30 10 IKEE O=[N+]([O-])c1cccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2-c2ccccc2)c1 1874429383 HUVQEFSSOLOUEQ-ZVHZXABRSA-N 449.923 5.681 30 10 IKEE Cc1cccc(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2ccc(Cl)cc2Cl)c1 1874448011 QQRMPQCZFVRRIV-OGBFJMLUSA-N 447.391 5.919 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2ccc(Cl)c(Cl)c2)nnc1C1CCCC1 1874457586 WMWRGIZTOJZYED-DHRITJCHSA-N 445.419 6.725 30 10 IKEE CCCCc1nnc(SCCc2ccccc2)n1/N=C/c1ccc(Br)cc1 1874478663 LOLBCIIUODAUOK-XQNSMLJCSA-N 443.414 5.600 30 10 IKEE COc1cc(/C=N/n2c(SCCc3ccccc3)nnc2C(C)C)ccc1OC(C)C 1874514209 NAIOBEAGYBHSRQ-PCLIKHOPSA-N 438.597 5.414 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccccc2OCc2cccc(F)c2)cc1 1874584637 YHKCCGFHDNWQOK-KNTRCKAVSA-N 446.562 7.650 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)c1C 1874587202 ZYEDICRVIMLGOF-YRNVUSSQSA-N 439.382 7.702 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OCC(=O)Nc1ccc(F)cc1 1874600359 IBMAHKYWDXFNDB-VZUCSPMQSA-N 447.506 5.673 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCCc3ccccc3)c(Br)c2)c(C)c1 1874617512 FTVROGUBWXHQMJ-FMIVXFBMSA-N 435.361 6.584 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OCc1cccc(Cl)c1 1874623316 XGIDHVWRQMYGPB-WYMLVPIESA-N 428.915 6.977 30 10 IKEE C=C(C)COc1c(Cl)cc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)cc1OC 1874639404 YJQCKSTWHBHITG-VQHVLOKHSA-N 432.900 5.225 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OC(=O)COc2c(C)ccc(C)c2C)c1 1874704411 NOFBBCBJSRWKHZ-OUKQBFOZSA-N 444.527 5.809 30 10 IKEE COc1cccc(C(=O)Oc2cc(/C=C/C(=O)c3cc(C)cc(C)c3OC)ccc2OC)c1 1874711287 UVSZGMIHQCUNCB-PKNBQFBNSA-N 446.499 5.445 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OC(=O)c1c(OC)cccc1OC 1874713996 ZCSPGNSLPZPLLV-JLHYYAGUSA-N 446.499 5.445 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 1875123002 RTYPNJCFRYKTKS-PKNBQFBNSA-N 437.835 5.372 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Br)c1OC(=O)CC(C)(C)C 1875128278 BKPPLUIQRFORMC-VAWYXSNFSA-N 445.353 6.086 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1OC(=O)c1cccs1 1875137012 RBVKIPLDSBBWBM-DHZHZOJOSA-N 437.473 5.479 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)[C@H]1CCCO1 1875142265 SENOEWUKDJQUON-AQDCRGGLSA-N 432.875 5.167 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3cccs3)c(OC)c2)cc1F 1875152160 GXLQAEOASRRUJY-FNORWQNLSA-N 446.883 5.673 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc([N+](=O)[O-])c1OC(=O)C(C)(C)C 1875156683 JDJSGNBJCRKDON-MDWZMJQESA-N 439.508 5.965 30 10 IKEE Cc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Oc4ccccc4)cc3)cc2)c1 1875165286 GULMDGDPMCMQMJ-XDHOZWIPSA-N 434.491 6.903 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3)c(OC)c2)cc1Cl 1875186399 ULYYWLGLZXOZRX-XCVCLJGOSA-N 440.854 5.612 30 10 IKEE N#C[C@]1([C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCCC12CC2 1875636244 ZRSXTMTZNKRJLW-YTMVLYRLSA-N 439.555 6.352 30 10 IKEE C=C(COCc1ccccc1)[C@H](N)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 1922079139 CFVDOHHHLZSUOT-DEOSSOPVSA-N 436.596 5.056 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@H](O)c1ccc(Cl)c(Br)c1F 1922087042 VSQYGKRATRWXAF-WOJBJXKFSA-N 442.756 5.026 30 10 IKEE C=C(COCc1ccccc1)[C@H](CN(CCC(F)(F)F)C(=O)OC(C)(C)C)NCCC 1922093195 AMHFGLDNCLOTCR-FQEVSTJZSA-N 444.538 5.317 30 10 IKEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(C)cc(Br)c1F 1927527886 GPRRAFRFDOLCKU-QGZVFWFLSA-N 442.373 5.040 30 10 IKEE C=C(Cl)C[C@H](NCCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1976565054 OHEKBYOUXXSLAE-URXFXBBRSA-N 437.024 5.341 30 10 IKEE CC(C)(C)OC(=O)N1CC(C)(C)[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C1 1996505422 LKGYSBBKKDKPKX-HSZRJFAPSA-N 433.524 5.106 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)[C@H]1C(C)(C)C 2067837957 LTWSAISWJCYTAC-CLOONOSVSA-N 449.636 5.874 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)[C@@H]1C1CC1 2067982003 ZBSDMGSVGSJPFS-YADARESESA-N 445.535 5.249 30 10 IKEE CC(C)[C@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)F)c(C#N)c1Br 2079847168 ORBHMDKHBZCSFV-CYBMUJFWSA-N 440.185 5.858 30 10 IKEE CCOc1ccc([C@@H](C2CCC2)n2nc(C(F)(F)F)c(C#N)c2Br)cc1 2080107027 ILBFKGIEHMYOGE-OAHLLOKOSA-N 428.252 5.324 30 10 IKEE N#Cc1c(C2CCCCC2)nn(Cc2ccc(C(F)(F)F)cc2F)c1Br 2080303306 CXFZNLVSACHREP-UHFFFAOYSA-N 430.243 5.771 30 10 IKEE CCOc1ccc(C(F)(F)F)cc1-c1c(C2CCCCC2)nn2c(Cl)c(C#N)cnc12 2081472251 NLHVXGTZPSTNAU-UHFFFAOYSA-N 448.876 6.387 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1c(C)sc(C)c1Br 2092953648 REYFHTJBLKTMHU-INIZCTEOSA-N 435.387 6.442 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Cl)cc(Br)c1 2136650632 BKTUYFCJSLIBIU-QZTJIDSGSA-N 443.813 5.450 30 10 IKEE N#Cc1cc(F)c(NC[C@@]23CC[C@@H]2CCCN3Cc2ccccc2)cc1Br 2145618215 QKXUXBWELNFHEU-AVRDEDQJSA-N 428.349 5.317 30 10 IKEE N#C[C@@H](C(=O)c1csc(Br)c1Br)c1cccc(Cl)c1F 2150363540 AMLSMGIBHLTYEO-SSDOTTSWSA-N 437.515 5.556 30 10 IKEE CN(Cc1ccc(NC(=O)OC(C)(C)C)cc1)c1cc(Br)cc(F)c1C#N 2174810082 IBMAZENWTIBBPA-UHFFFAOYSA-N 434.309 5.443 30 10 IKEE CN(C(=O)c1ccc(Br)c(NC(=O)OC(C)(C)C)c1)C1(C#N)CCCCC1 2181052261 DFRIIIJWFXGLAW-UHFFFAOYSA-N 436.350 5.095 30 10 IKEE CC#CCCC[C@H](NCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2194067540 PZGNCYZKLJFOSK-VQTJNVASSA-N 437.422 5.057 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@@](C)(CNC(=O)OC(C)(C)C)C(F)F)NCCC 2216261736 JTHIGMXTNASOIG-RDPSFJRHSA-N 440.575 5.314 30 10 IKEE CN[C@H](C#Cc1cccc(Cl)c1)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2239569555 RGYDTPJBLUEKIN-GOSISDBHSA-N 449.776 5.762 30 10 IKEE CCCCN1C(=O)C(=C2Sc3ccccc3N2CC)SC1=NCCc1ccccc1 2295201967 VONRVYZOAFQXHY-UHFFFAOYSA-N 437.634 5.762 30 10 IKEE COc1cccc(NC(=S)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c1 2296405010 HWUYSITZSFXYRT-UHFFFAOYSA-N 445.523 5.008 30 10 IKEE COc1ccc(N=C2SC(=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)N2C)cc1 2297558906 ICOCMJQUQQWCPW-UHFFFAOYSA-N 435.461 5.097 30 10 IKEE C=C(C)COc1ccccc1[C@@H]1CC(=O)Oc2ccc3c(c21)OC(=Cc1ccco1)C3=O 2297596035 JDWJFRUHQILALZ-IBGZPJMESA-N 428.440 5.292 30 10 IKEE CCCCCCCOc1ccc(NC(=S)NC(=O)C=Cc2ccccc2Cl)cc1 2313763935 CHIRILRJMBURFR-UHFFFAOYSA-N 431.001 6.216 30 10 IKEE C=CCN1C(=O)C(=Cc2c[nH]nc2-c2ccccc2)SC1=Nc1nc2ccccc2s1 2314480925 WZGRRXMAOFRWTB-UHFFFAOYSA-N 443.557 5.476 30 10 IKEE COc1ccc2c(c1)OC(=Cc1ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc1)C2=O 2314527051 CADZJEPKHICQRQ-UHFFFAOYSA-N 428.484 5.828 30 10 IKEE O=C1C(=Cc2ccccc2Cl)SC(=Nc2cccnc2Cl)N1C1CCCCC1 2314540394 PBLLTDNSGPYLDL-UHFFFAOYSA-N 432.376 6.325 30 10 IKEE COc1ccc(CN2COc3ccc4c(c3C2)OC(=CC=Cc2ccccc2)C4=O)cc1 2321946984 LKPVPDFGERGROX-UHFFFAOYSA-N 425.484 5.220 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1c(Cl)cccc1Cl)C3=O)CN(C1CCCC1)CO2 2322328386 VWQODEDVFSXRBX-UHFFFAOYSA-N 430.331 6.013 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1cn(C)c4ccccc14)C3=O)CN(CCCOC(C)C)CO2 2322330999 KKLPRLUIMROFNQ-UHFFFAOYSA-N 446.547 5.070 30 10 IKEE CCCCCOc1ccc(C=NNc2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)cc1 2322611755 HFJQYWUFMUXSGA-UHFFFAOYSA-N 445.350 5.554 30 10 IKEE O=C(COc1ccccc1C=CC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccccc1 2322807052 RAKWQOKNOASLHP-UHFFFAOYSA-N 449.506 6.393 30 10 IKEE COc1cc(C=NNc2ccc(C)cc2)cc(Br)c1OCc1ccccc1 2322927167 TZRJTSMZASSAGU-UHFFFAOYSA-N 425.326 5.791 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC)c(OCc3ccc(Cl)cc3)c2)cc1 2323154113 WAYGQLKTCANJSA-UHFFFAOYSA-N 436.935 6.613 30 10 IKEE Cc1cc(OC(=O)c2ccccc2[N+](=O)[O-])cc2c1C(=O)C(=CC=Cc1ccccc1)O2 2323154304 UEHUBYWXRVDJDE-UHFFFAOYSA-N 427.412 5.295 30 10 IKEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCCc1ccccc1 2323363553 NLARWOICOUYDLD-UHFFFAOYSA-N 437.879 5.774 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(OC(=O)C=Cc3cccc([N+](=O)[O-])c3)c2C)C1=O 2323437615 CGTUDALWDIJQKP-UHFFFAOYSA-N 447.468 5.508 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(CC)cc2)cc(OC)c1OCc1cccc(Cl)c1 2323481783 QRSLQOFLZMODNS-UHFFFAOYSA-N 446.974 7.115 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)cc(Cl)c1OCc1cccc(C)c1 2323607543 NJYGQLFARJKHAI-UHFFFAOYSA-N 441.354 7.176 30 10 IKEE Cc1cc(OC(=O)c2ccc(OC(C)C)cc2)cc2c1C(=O)C(=Cc1ccc(Cl)cc1)O2 2323813532 XITSUFOVAWVYLL-UHFFFAOYSA-N 448.902 6.271 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(F)c2)C3=O)c1 2323895641 GICKKTLDOZDPBN-UHFFFAOYSA-N 446.430 5.285 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OCCc3ccccc3)c([N+](=O)[O-])c2)cc1 2324066400 FPWHPTFCHUSEJK-UHFFFAOYSA-N 429.516 6.410 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OCCCO)c(Cl)c2)cc1 2324209610 HASQGYYUTWLFOU-UHFFFAOYSA-N 430.972 6.347 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1Cl 2324241563 KEFCJISGOPQEQA-UHFFFAOYSA-N 441.861 5.840 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Cl)c1OCc1ccc(F)cc1 2324245086 WLCKCHFFTJQXPF-UHFFFAOYSA-N 446.852 6.631 30 10 IKEE C[C@H](Oc1ccc2c(c1)OC(=Cc1ccc(C(C)(C)C)cc1)C2=O)C(=O)Nc1ccccc1 2324398403 DFIKILLRQLJSSJ-SFHVURJKSA-N 441.527 6.006 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(O[C@H](C)C(=O)Nc4ccc(Cl)cc4)c3C)C2=O)o1 2324611996 BCLJIYXGABSMLE-OAHLLOKOSA-N 437.879 5.572 30 10 IKEE CCc1ccc(OCCCOc2ccc3c(c2)OC(=Cc2ccc4c(c2)OCO4)C3=O)cc1 2324658264 PAFJLQXKSAVLAN-UHFFFAOYSA-N 444.483 5.442 30 10 IKEE CCCC[C@H](Oc1cc(C)c2c(c1)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O)C(=O)O 2324784533 LXOVHUBIAKALIA-KRWDZBQOSA-N 435.303 5.940 30 10 IKEE C[C@H]1C[C@@](C#N)(Cc2ccc(I)c(Br)c2)CCS1 2325257514 YJKRCLKPXKEHFA-IINYFYTJSA-N 436.156 5.022 30 10 IKEE Cc1c(OCc2cccc3ccccc23)ccc2c1OC(=Cc1c(F)cccc1Cl)C2=O 2325272678 CMDCCPJIDJTHPL-UHFFFAOYSA-N 444.889 7.136 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccccc1OC 2325536148 VLYRZOGESXGGQN-UHFFFAOYSA-N 432.952 5.596 30 10 IKEE CCc1ccc(NC(=O)COc2ccc3c(c2C)OC(=CC=Cc2ccccc2)C3=O)cc1 2325722993 IVGRYMKCLMZXLZ-UHFFFAOYSA-N 439.511 5.747 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cccc(OC(=O)c3ccccc3-c3ccccc3)c2)c1 2325740848 UISWJANKUXWBME-UHFFFAOYSA-N 432.519 7.086 30 10 IKEE CCOc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3cccc4ccccc34)c2)cc1 2325749776 IRDICDGPENQSPU-UHFFFAOYSA-N 436.507 6.283 30 10 IKEE CCCCOc1cccc(C=Nn2c(C)nnc2SCc2ccc(C(C)(C)C)cc2)c1 2326322642 FZMKTBGBQDIEDZ-UHFFFAOYSA-N 436.625 6.237 30 10 IKEE CCOc1cccc(C=Nn2c(CC)nnc2SCc2ccc(C(C)(C)C)cc2)c1O 2326324033 IOIGNQQMCZNDQB-UHFFFAOYSA-N 438.597 5.417 30 10 IKEE C=CCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1cccc(OC)c1 2326606330 QKHBCQZZASBJCB-UHFFFAOYSA-N 428.561 5.385 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@H](C#N)[C@]12C[C@H](CCN1C(=O)OC(C)(C)C)C2 2326630388 MEEOTFLTSSWXJP-JVFUWBCBSA-N 447.620 5.628 30 10 IKEE CCOc1ccc(Cc2nnc(SCC)n2N=Cc2ccc(Cl)c(Cl)c2)cc1 2328566300 NCGZCWNALCKBAM-UHFFFAOYSA-N 435.380 5.569 30 10 IKEE Cc1ccsc1C=Nn1c(Cc2ccc(Cl)cc2)nnc1SCc1ccccc1 2329101006 DYSMYADUQMWEQR-UHFFFAOYSA-N 439.009 6.067 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OC)cc2)n1N=Cc1ccc(C(F)(F)F)cc1 2329271614 IGFWCDVYHNHHDF-UHFFFAOYSA-N 446.498 5.447 30 10 IKEE Cc1ccc(C=Nn2c(COCc3ccccc3)nnc2SCCc2ccccc2)cc1 2329348111 WHRUHJCNLOOGIX-UHFFFAOYSA-N 442.588 5.520 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CC[C@@H]2[C@H](C1)C2(F)F 2329715253 BMUCGFSJSILUTP-VKJFTORMSA-N 427.289 5.518 30 10 IKEE Cn1cc(C=Nn2c(SCCc3ccccc3)nnc2-c2ccccc2)c2ccccc21 2330675116 OGYKYMVTHWUXTD-UHFFFAOYSA-N 437.572 5.654 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(OC)cc3)c([N+](=O)[O-])c2)cc1 2330749829 NVIGJCPOHRNJSW-UHFFFAOYSA-N 445.471 5.210 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@@H]3CCCO3)n2N=Cc2cccc(Cl)c2)c1 2330965673 OJJMUWJZHUFIJT-FQEVSTJZSA-N 426.973 5.574 30 10 IKEE Fc1cccc(Cl)c1C=Nn1c(SCc2ccccc2Cl)nnc1C1CCCC1 2331077890 KINJCCBWBXRWSA-UHFFFAOYSA-N 449.382 6.556 30 10 IKEE C=CCSc1nnc(C2CCCC2)n1N=Cc1ccc(OCc2ccccc2C)cc1 2331079843 NGCOYGVHBNNYPJ-UHFFFAOYSA-N 432.593 5.983 30 10 IKEE Cc1ccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2-c2ccco2)cc1 2331216232 GCBGJFFYENLOPB-UHFFFAOYSA-N 443.359 6.328 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)Cc1ccc(C)c(C)c1 2331255943 ISROEPLICNUHBM-UHFFFAOYSA-N 448.946 6.318 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(OCC)cc3)cc2)cc1 2331294235 GHWWOTIYBCZBCH-UHFFFAOYSA-N 430.500 5.989 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3F)c(Cl)c2)cc1 2331415996 FMICLQIRUAUKNJ-UHFFFAOYSA-N 436.910 6.892 30 10 IKEE COc1cc(C=Nn2c(CC(C)C)nnc2SCc2cccc(C)c2)cc(Cl)c1O 2331440093 ZOASQKBJSJGVHP-UHFFFAOYSA-N 444.988 5.327 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)ccc1OC(=O)C(F)(F)F 2331757842 VNGPAUKGIOHEGQ-UHFFFAOYSA-N 442.817 5.420 30 10 IKEE CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N/c1cccc2ncccc12 3154817 ANCCVHAQGMXIID-LOIXAWJCSA-N 446.601 6.009 30 10 IKEE Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)/C=C/c3ccc(Cl)cc3)cc(C)c2c1 12240954 ILOZCZJNMJZLIR-RMKNXTFCSA-N 441.922 5.523 30 10 IKEE COc1ccc(/C=N/c2ccc(S(=O)(=O)Nc3c(C)cc(C)cc3C)cc2)cc1OC 12583255 AEWXHVXYAYTJRO-MFKUBSTISA-N 438.549 5.180 30 10 IKEE Cc1cc(C)nc(N/C(=N/C(=O)Nc2ccccc2)N2CCC(Cc3ccccc3)CC2)n1 14161675 MIOYFEWJZWZKRD-UHFFFAOYSA-N 442.567 5.048 30 10 IKEE O=C1O[C@H]2CCCC[C@@H]2C(Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)=C1[N+](=O)[O-] 20530237 WMSMOSSVCBARER-ROUUACIJSA-N 447.516 5.493 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2OC)cc1 20882724 MREUQDOKDRPJDT-VKGTZQKMSA-N 440.543 6.073 30 10 IKEE CC(C)(C)c1ccc(-c2cc(C(=O)NCC(F)(F)C(F)(F)C(F)(F)F)no2)cc1 22640907 PXIPJQUDARNNQU-UHFFFAOYSA-N 426.332 5.202 30 10 IKEE CC(C)(C)c1ccc(/C=C2\Oc3cc(OCC(=O)c4ccc(Cl)cc4)ccc3C2=O)cc1 33367692 DVYFHCXJWFDJQF-QFEZKATASA-N 446.930 6.515 30 10 IKEE C/C(=C1/S/C(=N/c2ccncc2Cl)N(C2CCCCC2)C1=O)c1ccc(C)c(C)c1 39864651 CGSIBTYXPWWBQT-LNBBTWALSA-N 440.012 6.679 30 10 IKEE O=C1/C(=C\c2ccc[nH]2)S/C(=N/c2nc(-c3ccccc3)cs2)N1C1CCCCC1 40467652 GOTJEBUYZYDFCU-KJSLDKNGSA-N 434.590 6.075 30 10 IKEE CCCCCCCCCCCCCCO[P@@](=O)(O)O[C@@H](CC(=O)O)C[N+](C)(C)C 43356594 HSNUXANXVHLGQT-FQEVSTJZSA-O 438.566 5.371 30 10 IKEE Cc1cc2c(cc1OC(=O)Nc1ccccc1)CCC/C2=N\OC(=O)Nc1ccccc1 59377385 YOJKZQDMMOGWKL-XAYXJRQQSA-N 429.476 5.895 30 10 IKEE C=C(C)COc1cccc(NCC(=O)Nc2cccc(C(=O)N(CC)c3ccccc3)c2)c1 66063122 SWJRMVZKTVQFCL-UHFFFAOYSA-N 443.547 5.359 30 10 IKEE C=CCn1c(SC(C)(C)C(=O)OCC)nc2scc(-c3ccc(C)cc3)c2c1=O 96535302 QVLUDDDADMENIZ-UHFFFAOYSA-N 428.579 5.053 30 10 IKEE COc1ccc(Oc2ccc(/C=C\C(=O)c3ccccc3OC(F)F)cc2[N+](=O)[O-])cc1 97993172 LZOJAUBIMREAQP-SDQBBNPISA-N 441.386 5.893 30 10 IKEE C/C=C/Oc1ccc(C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2nc3ccccc3o2)cc1 98037261 VYHJWELMMIXHGU-SZFAXJMMSA-N 426.428 6.072 30 10 IKEE CCCCCCCCCCCCCCCCNC(=S)NC(=O)/C=C/c1ccc(C)cc1 100086421 NWTLCFNGKHVERD-QURGRASLSA-N 444.729 7.480 30 10 IKEE CCCCCCCOc1ccc(NC(=O)CNc2ccc(CCC(=O)N(C)C)cc2)cc1 100118012 OUXUGHNKOWUUMD-UHFFFAOYSA-N 439.600 5.107 30 10 IKEE CCCCCCCOc1cccc(NC(=O)COc2c(C)cc(Br)cc2C)c1 100246199 LLMPKWFMWAUBDA-UHFFFAOYSA-N 448.401 6.433 30 10 IKEE CCCCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 110218482 ILLADTRJIWLJFY-UHFFFAOYSA-N 446.617 5.445 30 10 IKEE COc1cccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccc(C)cc2C)c1 169935782 IEPPKYKDBOTXSE-AREMUKBSSA-N 441.527 5.414 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1c1ccc(F)cc1 169940634 OFNBTRJFACCVIG-NRFANRHFSA-N 437.854 5.271 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2C2CCCC2)cc1 170033663 KLXCRBSQLISWOI-QHCPKHFHSA-N 435.520 5.005 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(Cl)cc2)cc1 170059853 JSXFVNKCFGLPII-NRFANRHFSA-N 425.912 5.260 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(F)cc2)cc1 170062035 OZXLDRCQEQGJJB-HSZRJFAPSA-N 431.463 5.180 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccc(F)cc2)cc1 170062478 YFLKNDOOELOAQU-XMMPIXPASA-N 445.490 5.624 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2ccccc2C)cc1 170089132 HCYJKUMZGNXCIM-RUZDIDTESA-N 441.527 5.793 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccco2)c1 170089891 JIQGAAGRHIRSNC-QHCPKHFHSA-N 447.487 5.168 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@H]2c2ccco2)cc1 170090905 JUYDHPWVASIQIP-QFIPXVFZSA-N 431.488 5.369 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccc(C)o2)c1 170099538 BRTZFEKDTBZELP-HSZRJFAPSA-N 431.488 5.386 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1cccc(C)c1 170142913 AFRHGDLUVZTKSY-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2Cc2ccco2)c1 170144002 UQLFMZDVKZGGOG-XMMPIXPASA-N 443.543 5.972 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2cccnc2)c1 170185239 ASMGYPYTWOLPNC-RUZDIDTESA-N 434.495 5.635 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccncc2)cc1 170202713 AMNDPFYURNQCMN-XMMPIXPASA-N 442.515 5.270 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1ccc(O)c(Cl)c1 170220231 DJYDCBMRQSTABZ-OAQYLSRUSA-N 443.927 5.130 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@H]1c1ccc(F)cc1 170243991 IPLONZYMHHTHSQ-HXUWFJFHSA-N 445.918 5.565 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccc2F)cc1C 170247973 YTRLJUYWZYSYJG-JOCHJYFZSA-N 435.426 5.065 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1c[nH]c2ccccc12 170255353 BADKEUZVVMDANV-XMMPIXPASA-N 446.547 5.581 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccco1)c1cccc2ccccc12 170281996 SGWBDXLUPYOXOV-QFIPXVFZSA-N 431.394 5.494 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@H]1c1ccco1 170284824 IPKZWHKEFUYSMQ-NRFANRHFSA-N 437.879 5.341 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2ccco2)cc1 170297113 ZQBUDYDSJVDHJX-DEOSSOPVSA-N 445.515 5.464 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccc(C)o2)cc1C 170300489 OAZSZKMMZKRMBU-DEOSSOPVSA-N 445.515 5.777 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccccc2F)cc1Cl 170381046 XGMAVIZNZCAUIF-LJQANCHMSA-N 443.883 5.332 30 10 IKEE CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 170467902 VSLQQQCLAGLOML-HXUWFJFHSA-N 429.919 5.902 30 10 IKEE CCOc1cc(Br)cc(C=Nc2ccc3oc(-c4ccncc4)nc3c2)c1O 252608349 HJPORBLNAOFOCU-UHFFFAOYSA-N 438.281 5.507 30 10 IKEE CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CC)cc1 252624591 PRHZXBLIJBDRNO-IBGZPJMESA-N 429.973 5.191 30 10 IKEE CCCCCCCC[C@@H](NCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 407041611 AHAINYMGGALWII-HXUWFJFHSA-N 441.454 7.197 30 10 IKEE CSc1nc(O)c(C(=O)Nc2ccc(C)c(OCc3cccc(Cl)c3)c2)cc1C#N 428583231 LYDDKOYTWLETSO-UHFFFAOYSA-N 439.924 5.174 30 10 IKEE C/C=C/[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](c3ccc(N(C)C)cc3)C[C@]21C 504821506 RTCKAOKDXNYXEH-TUUSTCKZSA-N 431.620 5.959 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)c(Cl)c3)[C@H]2c2cccc(F)c2)cc1 526491658 XPGOIJRWYABPJI-OAQYLSRUSA-N 439.273 6.061 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccncc2)c1 526515411 IHHCZBWSVXYAOF-DEOSSOPVSA-N 425.488 5.189 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccs2)c1 526606148 WQKUEWFHZIEUNE-QHCPKHFHSA-N 430.529 5.856 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(Sc3ccccc3)C2=O)c(C)c1 526658943 FVLKNACERJUOMU-UHFFFAOYSA-N 425.513 5.164 30 10 IKEE N#Cc1cccc(NC2=C(Sc3ccc(Cl)cc3)C(=O)N(c3ccccc3)C2=O)c1 526664048 LITATYIMQDLRJO-UHFFFAOYSA-N 431.904 5.201 30 10 IKEE Cc1ccc(CSc2nnc(C)n2/N=C\c2ccccc2OCc2ccccc2)cc1 526804456 URVIQSZEJVFGJE-QQXSKIMKSA-N 428.561 5.648 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccc(O)c([N+](=O)[O-])c1 526813138 WTYREKQRQRFOLT-UUYOSTAYSA-N 445.932 5.062 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1cccc(OC)c1 526817996 LJMVQMWTDDCYIC-CFRMEGHHSA-N 432.952 5.596 30 10 IKEE N#Cc1cc(Br)cc(Nc2cc(Br)cc(Br)c2)c1 690319544 BBZLBLIHCXZIRK-UHFFFAOYSA-N 430.925 5.589 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OCc3ccccc3)C2)c1 698472326 ZUAKYBXDDGIVKK-VWLOTQADSA-N 435.524 5.041 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)C1 724070174 MIKSYANVFACXHD-MWTRTKDXSA-N 449.979 5.669 30 10 IKEE Cc1ccc(-n2c(-c3ccccc3)cc(C=Nc3ccc(O)cc3)c2-c2ccccc2)cc1 1083907021 MLLGTQQREOCXHJ-UHFFFAOYSA-N 428.535 7.576 30 10 IKEE COc1cc(C=Nc2ccc(C)cc2)ccc1OC(=O)c1sc2ccccc2c1Cl 1083985444 KZEWXKWLDCAKPV-UHFFFAOYSA-N 435.932 6.842 30 10 IKEE COc1ccc(O)c(C=Nc2ccc(N=C3c4ccccc4C(=O)[C@H]3c3ccccc3)cc2)c1 1565517772 BJAPDPASLPNVLA-MHZLTWQESA-N 446.506 6.252 30 10 IKEE CC(=C\c1ccccc1)/C=C1/S/C(=N/N=C/c2ccc(F)cc2)N(Cc2ccco2)C1=O 1615301828 UJKPMUGWBHKUAV-YDKMZGAXSA-N 445.519 5.872 30 10 IKEE Cc1cccc(Cn2nc(C(=O)Nc3ccc(C#N)cc3)cc2-c2cccc3c2CCCC3)c1 1859394148 DHFJBNQEBKHUBS-UHFFFAOYSA-N 446.554 5.910 30 10 IKEE O=C(CNCc1ccc(C(F)(F)F)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1860717574 OFBJMBKDEBRFCV-UHFFFAOYSA-N 444.297 5.471 30 10 IKEE CCCCCCCCCCn1c(C)cc(OCc2cccc(C(=O)OCC)c2)cc1=O 1860785043 LLVOJZVMQHAHLE-UHFFFAOYSA-N 427.585 6.053 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(CCCC)cc2)n(Cc2ccc(Cl)cc2)n1 1862335210 UILVTRADCFLEGW-UHFFFAOYSA-N 448.010 6.409 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CC(C)C)cc1 1862384059 OHRPNLVTSQJWMX-HXUWFJFHSA-N 448.346 5.626 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccc(Cl)cc2Cl)cc1C 1862408900 WZSZPEZXWQMDKB-IBGZPJMESA-N 434.319 5.297 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc2ccccc12 1862434903 JUGZURIPXYBACE-QHCPKHFHSA-N 433.935 6.262 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1Cc1ccccc1F 1862444257 ZDJZHQDTBRTIJI-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccccc1Cl 1862464350 UXEQJBULXKXJCZ-IBGZPJMESA-N 437.845 5.382 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccccc2F)ccc1F 1862501927 NVCWJIRQCLRFBA-QHCPKHFHSA-N 437.486 5.742 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccccc2Cl)ccc1F 1862503367 WGZYTNHVXRTRNQ-OTPBECDQSA-N 441.930 5.945 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2cccc(O)c2)c1 1862507240 HIBNKLYPULULEK-DEOSSOPVSA-N 445.490 5.235 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(Cl)cc1Cl 1862508130 FEFLDOUMFSNORH-CWTRNNRKSA-N 436.310 5.818 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 1862531257 JSBSBZLFCUKJRI-XMMPIXPASA-N 431.576 6.067 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2cccc3ccccc23)cc1 1862532742 YTLCCQISDPILNS-SANMLTNESA-N 448.522 5.576 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2Cc2cccs2)cc1 1862543347 FCNINJNLXUMZCQ-XMMPIXPASA-N 443.568 5.714 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2ccc(F)cc2)cc1 1862555824 JBYCBVQHUFAVAP-FYSMJZIKSA-N 444.506 5.310 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1Cl 1862584444 YMOSXQZAPOKTKK-GOSISDBHSA-N 438.738 6.025 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C2CCCC2)c1 1862616219 PCFWLNNFTKCSCG-QHCPKHFHSA-N 433.548 5.514 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 1862616949 WLBBGHWBPQFVSF-DEOSSOPVSA-N 440.543 5.466 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cc(Cl)cc(Cl)c1 1862632187 LKQYUDOEYQHVCK-WYRIXSBYSA-N 448.302 5.099 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(C(C)C)cc1 1862663987 DMJLVDXCGQEFSI-XMMPIXPASA-N 435.564 5.548 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@H]1c1ccccc1Cl)c1ccc(F)cc1 1862675264 GDFZTXFJXRGJHM-NRFANRHFSA-N 439.845 5.397 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1F 1862675389 JKQAXTWHTJGYEE-QFIPXVFZSA-N 445.481 6.043 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(OCc2ccccc2)cc1 1862685176 PRJFCNDCECROKS-HSZRJFAPSA-N 431.463 5.003 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc(F)c1 1862687559 MQCGUNDNTBWIAY-NZQKXSOJSA-N 439.527 5.772 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(O)c(O)c1 1862711934 GDTHYJWGXPSFPD-HSZRJFAPSA-N 431.488 5.020 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(F)cc1)c1ccc2ccccc2c1 1862715514 OKDXSPPNFLCCAN-RUZDIDTESA-N 437.470 5.757 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862720601 ZISSSKOQHHNLNG-BVZFJXPGSA-N 441.571 6.514 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(-c3ccccc3)cc2)=C(O)C(=O)N1Cc1ccco1 1862722564 UDFKABFOSZWRDW-AREMUKBSSA-N 449.506 6.034 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(OC)cc1 1862725616 NLXVUGJRYWWFTC-AVRWGWEMSA-N 441.527 5.739 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(C)cc(C)c2)=C(c2ccc(F)cc2F)C1=O 1863306988 PXNWCHSSQMJNIW-UHFFFAOYSA-N 440.534 6.134 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(Cl)cc2)C(=O)N(CCCCC)C1=O 1863530418 BUOLXTOMRFHFCI-UHFFFAOYSA-N 433.036 6.340 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2cc(C)ccc2C)=C(c2ccc(C)cc2)C1=O 1863621285 KFOORWLSCGXYDU-UHFFFAOYSA-N 432.608 5.842 30 10 IKEE CCCCCOc1cn(CCC(C)C)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870188073 UJHBKBRQAKLOQN-UHFFFAOYSA-N 441.641 5.948 30 10 IKEE CCCCCCCCn1cc(OCc2c(C)cc(C)cc2C)c(=O)cc1CSCC 1870243371 PPHHCJAFCGRHPW-UHFFFAOYSA-N 429.670 6.966 30 10 IKEE C=CCn1cc(OCCCCCCC)c(=O)cc1CSCc1nc2ccccc2[nH]1 1870251623 NSHBQBZXKZOYLV-UHFFFAOYSA-N 425.598 5.693 30 10 IKEE CCCCCCCOc1cn(CCCCCCO)c(CN(C)Cc2ccccc2)cc1=O 1870416794 OXTUXNYPWURGAH-UHFFFAOYSA-N 442.644 5.382 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(C(C)C)cc2)cn1CCCOCC 1870469156 GWHHDSBRKGMIDA-UHFFFAOYSA-N 438.612 5.151 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2c(Cl)cccc2Cl)cn1CCCCC 1870603575 YCMFQDAEEAXVPG-UHFFFAOYSA-N 449.422 6.098 30 10 IKEE C=CCn1cc(OCc2c(C)noc2C)c(=O)cc1CNc1ccc(OCCCC)cc1 1871011460 UNXDHOVBINFPNB-UHFFFAOYSA-N 437.540 5.009 30 10 IKEE Cc1cc(OC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc2c1C(=O)/C(=C/c1ccccn1)O2 1871384941 QSXFSJYBBWQOKC-BKUYFWCQSA-N 449.890 5.423 30 10 IKEE Cc1cc(O)c(CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c2c1C(=O)/C(=C/c1cccc(F)c1)O2 1871394267 NTTMOAURZNFFPD-MEDFTETOSA-N 435.539 5.857 30 10 IKEE CCn1cc(/C=C2\Oc3c(CN4CCC(C)CC4)c(O)cc(C)c3C2=O)c2ccccc21 1871395888 AQPMPWJOWCWYJE-OYKKKHCWSA-N 430.548 5.523 30 10 IKEE CCCCOC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 1871400135 JVXSEZKCUZROGJ-UQQQWYQISA-N 442.511 6.000 30 10 IKEE Cc1cccc(OCCOc2ccc3c(c2)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)c1 1871405354 DEPHCCXRFFTHSU-ONUIUJJFSA-N 428.528 6.367 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCCCOc4ccc(Cl)cc4)cc(C)c3C2=O)cc1 1871405706 NPJZGCQKCQIEFG-IWIPYMOSSA-N 434.919 6.421 30 10 IKEE Cc1ccc(OCCOc2cc(C)c3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1 1871407043 VPNRWGFSHXMIAO-QQXSKIMKSA-N 428.528 6.501 30 10 IKEE Cc1cccc(OCCOc2cc(C)c3c(c2)O/C(=C\c2cn(C)c4ccccc24)C3=O)c1 1871408440 XDPLIHQFJFOKQQ-YSMPRRRNSA-N 439.511 5.869 30 10 IKEE Cc1c(OCCOc2cccc3ccccc23)ccc2c1O/C(=C\c1ccccc1F)C2=O 1871415472 DGXHSCLIUNTLNJ-ONUIUJJFSA-N 440.470 6.361 30 10 IKEE CCOc1ccccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1cccc(C)c1)C2=O 1871418315 NHBYWAYYRRDOSK-OYKKKHCWSA-N 443.499 5.336 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(O[C@H](C)C(=O)Nc4c(C)cccc4C)c3C)C2=O)cc1 1871431876 ZZHDSLOUAVYTRL-ZOLHPDHPSA-N 441.527 5.942 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccccc1 1872446846 OCEJVTXNTYNKGB-HSZRJFAPSA-N 428.598 5.184 30 10 IKEE CC(C)Oc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 1872760678 VFYGQMLFAKJNOQ-QHCPKHFHSA-N 430.573 5.895 30 10 IKEE N#C[C@H](C(=O)c1cc([N+](=O)[O-])ccc1Cl)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872761902 YIWIGOWVNDLAFY-GOSISDBHSA-N 437.908 5.741 30 10 IKEE CC(C)(C)c1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1 1872773849 ZGTXVJIPKLROKK-INIZCTEOSA-N 439.924 6.159 30 10 IKEE COc1ccccc1CC(=O)[C@H](C#N)c1nc(-c2cc(Cl)cc(Cl)c2OC)cs1 1872778819 VIQGNHPIGWLXRP-HNNXBMFYSA-N 447.343 5.553 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2Br)C(=O)N(CC(C)C)C1=O 1873071428 OGDBBPIQXQBBQU-UHFFFAOYSA-N 435.406 5.135 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(N(C)C)cc2)=C(c2cccc(OC)c2)C1=O 1873218502 QJUNJGOJOABCEW-UHFFFAOYSA-N 449.595 5.314 30 10 IKEE CCSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1c(F)cccc1Cl 1874223106 UJSSYWGHZIHBJO-MFKUBSTISA-N 446.979 5.639 30 10 IKEE Cc1cccc(OCCCc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccc[nH]2)c1 1874246718 TWTJUCNMAZPUCD-JVWAILMASA-N 449.555 5.240 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(C)c3)n2/N=C/c2sccc2C)cc1 1874388268 DFJIXHAWEPCGOS-MFKUBSTISA-N 432.618 6.030 30 10 IKEE CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1ccc(OCc2ccccc2C)cc1 1874391387 FPQNYILFVKNEHL-AYQSFACRSA-N 442.588 5.921 30 10 IKEE Fc1ccccc1/C=N/n1c(SCc2cccc3ccccc23)nnc1-c1cccs1 1874423910 LLRODIMYGWMXKN-CVKSISIWSA-N 444.560 6.473 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccccc3F)nnc2C2CCCC2)cc1OC 1874455909 PUTSVYXWSWIKRV-AFUMVMLFSA-N 440.544 5.267 30 10 IKEE Cc1ccsc1/C=N/n1c(SCc2cccc3ccccc23)nnc1C(F)(F)F 1874462262 PEIFKJCLWJEYEM-BHGWPJFGSA-N 432.496 5.995 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CCC2)cc1O 1874496832 HAMWCPDSHOFUFM-FSJBWODESA-N 428.945 5.088 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccccc2F)cc1 1874579993 RUSABMQSGGYQSC-DTQAZKPQSA-N 433.479 5.528 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccc(C)c(C)c2)c1 1874581082 VTZVDBJSNQXQRC-JLHYYAGUSA-N 445.515 5.234 30 10 IKEE C=C(C)COc1c(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(Br)cc1OC 1874583166 ZUQJRSQBKNAVPC-FMIVXFBMSA-N 443.381 6.606 30 10 IKEE CCOC(=O)c1ccc(COc2ccccc2/C=C/C(=O)c2ccc(OC)c(C)c2C)o1 1874586387 LGGXSOOKAXSFJB-JLHYYAGUSA-N 434.488 5.557 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2nccs2)cc1C 1874587950 MTGCIVXVYCFUKV-FNORWQNLSA-N 426.925 5.327 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1C 1874593488 MFSBZCDLGPYFQK-FMIVXFBMSA-N 429.516 5.534 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OCC(=O)OCC(C)C 1874622873 ABTNRHYGEBCXCB-WYMLVPIESA-N 432.516 5.713 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc(F)c2)c([N+](=O)[O-])c1)c1cccc2ccccc12 1874623340 XZUBKPNLFHYHKR-ACCUITESSA-N 427.431 6.362 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OCc1ccccc1 1874629568 JQLCWJPKTCJHRS-CCEZHUSRSA-N 440.583 7.132 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1ccccc1 1874660567 OFTLLMPILSFJKR-AREMUKBSSA-N 447.623 5.305 30 10 IKEE COc1ccc(OCCCC(=O)Oc2cccc(/C=C/C(=O)c3cccc(OC)c3)c2)cc1 1874695157 NAPWVCPQLDHVKS-LFIBNONCSA-N 446.499 5.365 30 10 IKEE COc1ccc(CC(=O)Oc2cc(/C=C/C(=O)c3ccc(C)cc3)ccc2OC)c(OC)c1 1874702632 AWOYKERFBORJLW-NTUHNPAUSA-N 446.499 5.065 30 10 IKEE CCCCCCCCC(=O)Oc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC 1874703660 ASSRKNDDOWOUHS-RVDMUPIBSA-N 426.528 6.695 30 10 IKEE COc1ccc(CCC(=O)Oc2cc(/C=C/C(=O)c3ccc(F)c(C)c3)ccc2OC)cc1 1874703748 FTZLAJRSFDAJLH-AWNIVKPZSA-N 448.490 5.586 30 10 IKEE COc1cc(C(=O)/C=C/c2cccc(OC(=O)c3ccccc3F)c2)c(OC)cc1Cl 1874712179 SKQVIKCALIYJKG-ZHACJKMWSA-N 440.854 5.612 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OC(=O)c1cccnc1 1875096717 BIHGBXILBHYEBP-FMIVXFBMSA-N 443.499 5.093 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)CC(C)(C)C)c(OC)c2)cc1 1875136779 WQRJBFFKUDDSPY-KPKJPENVSA-N 444.955 6.375 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)CCOc1ccccc1 1875142851 XBELNIBWZUHEPG-XYOKQWHBSA-N 434.463 5.413 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)CC(C)C)c(Br)c2)cc1C 1875187871 ILVJARJMXMVYIH-SOFGYWHQSA-N 445.353 5.922 30 10 IKEE CCC(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1Br 1875189235 FRBCUOWFUDKWTJ-XVNBXDOJSA-N 428.109 5.967 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)C2CC2)c(Br)c1 1875193064 QMIUEHRWLLRCOM-FARCUNLSSA-N 435.701 5.323 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)Cc3cccc(Cl)c3Cl)ccc21 1890571439 NNCJDDBZQZRHAB-UHFFFAOYSA-N 433.335 5.112 30 10 IKEE O=C(Cc1ccc(F)c(C(F)(F)F)c1)N1CC[C@H](Cc2ccc(C(F)(F)F)cc2)C1 1891247093 NRKMBOYKVFRALA-OAHLLOKOSA-N 433.367 5.497 30 10 IKEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)NCc3cccc(Oc4ccccc4)c3)n[nH]2)c1C 1892322729 LYHSKBCTGPWHIU-UHFFFAOYSA-N 441.535 5.188 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCC[C@H]2CNC(=O)OC(C)(C)C)cc1 1944589392 QBKYWYJBJFSBBM-MHECFPHRSA-N 429.561 5.324 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 1944696262 YGEBMJNDGUXQHR-LPHOPBHVSA-N 433.524 5.106 30 10 IKEE C=C(COCc1ccccc1)[C@H](NC)[C@]12CCCC[C@H]1N(C(=O)OC(C)(C)C)CCC2 2000936363 DKKYSPXWLMHHNY-UMFSSWHCSA-N 428.617 5.307 30 10 IKEE CCCCCC#CC[C@H](O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2024347733 UBYYFBAMTGUGPG-OZXSUGGESA-N 429.601 5.165 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(C)sc(C)c1Br 2041204585 UFMDJPOOMNQEKJ-WMLDXEAASA-N 429.424 5.085 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)c(Cl)c1 2041579831 WNUPUGPEFWRUJI-DLBZAZTESA-N 431.802 5.613 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCN(C(=O)OC(C)(C)C)C[C@H]1C 2070605725 RJVHENNEUJSUPC-KBMIEXCESA-N 443.588 5.666 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NC)c2ccc(Cl)c(Br)c2F)C1 2077079886 LZBYQLHYIDGRAJ-HNNXBMFYSA-N 433.749 5.116 30 10 IKEE CC(C)(C)c1nn([C@H](c2ccc(C3CC3)cc2)C2CC2)c(I)c1C#N 2079064336 XTOAINKOCJRHMB-GOSISDBHSA-N 445.348 5.534 30 10 IKEE Fc1ccc(Cn2nc(Cl)c(Br)c2C(F)(F)F)c(C(F)(F)F)c1 2079213313 CEHLXVCMJQQXMF-UHFFFAOYSA-N 425.529 5.524 30 10 IKEE CCCOc1ccc([C@H](C2CC2)n2nc(C(F)(F)F)c(C=NO)c2Br)cc1 2080089179 UZIPPGDLZZISFI-HNNXBMFYSA-N 446.267 5.261 30 10 IKEE CC(C)Oc1ccc([C@H](C(C)C)n2nc(C3CC3)c(C#N)c2I)cc1 2080119102 FOGNPAZSZYOGHD-IBGZPJMESA-N 449.336 5.269 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1CCNc1cc(Br)c(C#N)cc1F 2106031621 YSQAQMRTGKUQDG-CQSZACIVSA-N 426.330 5.051 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@H]2Nc2ccc(C#N)c(Br)c2F)C1 2162323791 QIJOZJSIDIDTCO-FOIQADDNSA-N 438.341 5.051 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)C1([C@H]2CCCCO2)CC1 2164402337 ROVKWEWQEKGAFE-QZTJIDSGSA-N 435.362 5.432 30 10 IKEE COC[C@@]1([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)CC=CCC1 2166533335 PGZPSTQZOKYYQF-WIYYLYMNSA-N 435.362 5.456 30 10 IKEE CCCN(C[C@H]1CCCCN1C(=O)OC(C)(C)C)c1ccc(C#N)cc1Br 2174813014 RCAKSYBXOOVRBD-QGZVFWFLSA-N 436.394 5.327 30 10 IKEE CC(C)N(C[C@@H]1CCCN(c2ccc(C#N)cc2Br)C1)C(=O)OC(C)(C)C 2174815824 XOQNJSULVNHIIU-QGZVFWFLSA-N 436.394 5.183 30 10 IKEE COc1cccc(F)c1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2203463940 ZVDUNQLSWRSNEN-INIZCTEOSA-N 435.293 5.603 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Br)cc1Cl 2222752638 VVNUVFHTYSKZFJ-IAGOWNOFSA-N 431.802 5.613 30 10 IKEE O=C(OCc1ccccc1)N(CC(F)(F)F)[C@@H](CO)c1cc(F)ccc1C(F)(F)F 2235302695 JKAJTEHSSGCCKQ-INIZCTEOSA-N 439.327 5.079 30 10 IKEE C=CCC1([C@@H](NCC)c2cc(C)c(Br)c(C)c2)CN(C(=O)OC(C)(C)C)C1 2235614303 GYRYEIHNOAPBBF-IBGZPJMESA-N 437.422 5.530 30 10 IKEE C#C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C 2243918660 JWWXWHBQDBMGGF-LOSJGSFVSA-N 446.591 5.104 30 10 IKEE C=CCCCCCCCC[C@@H](O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2256697962 AMWNPYCGYGRKRT-XMMPIXPASA-N 445.644 6.108 30 10 IKEE C=CC[C@]1(COc2ccc(N)cc2Br)CCCN(C(=O)OC(C)(C)C)C1 2272150442 OXZSIEGKQPOJMC-FQEVSTJZSA-N 425.367 5.004 30 10 IKEE N[C@@H](C#Cc1cccc(Br)c1)c1ccc(Br)c(Br)c1 2278729089 ZFXSWZVNZYYKGS-HNNXBMFYSA-N 443.964 5.026 30 10 IKEE O=C(C#Cc1ccc(Br)cc1)c1ccc(Br)cc1Br 2278784836 CMLUFFXHTWWAKQ-UHFFFAOYSA-N 442.932 5.209 30 10 IKEE CCCCCCC[C@H](NC)[C@](C)(O)c1cc(Br)c(Br)s1 2281285127 FGMNBLBXSLPWEQ-WFASDCNBSA-N 427.246 5.429 30 10 IKEE COc1ccc(CNc2cc(Br)cc(C#N)c2)cc1NC(=O)OC(C)(C)C 2284070533 HLQLKBXLQFCZDA-UHFFFAOYSA-N 432.318 5.288 30 10 IKEE N#Cc1ccccc1COc1ccc(C=C2SC(=S)N(c3ccccc3)C2=O)cc1 2294013786 AVOKFHIXUBSAEN-UHFFFAOYSA-N 428.538 5.543 30 10 IKEE C/C=C/C[C@H](NC(=O)OC(C)(C)C)[C@@H](C#Cc1cccc(Br)c1)NCCC 2296265728 AHTHXHVXMMMJIP-LVHMURGSSA-N 435.406 5.028 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)c1ccc(NC(=O)OC(C)(C)C)cc1 2296310960 PYQGTMGRKPUOKK-HXUWFJFHSA-N 429.358 5.498 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(O)c3CN3CCCCCC3)C2=O)c2cc(OC)ccc21 2296593717 RFWKINAAPLKRNK-UHFFFAOYSA-N 446.547 5.368 30 10 IKEE C=CCOc1ccc(C=C2SC(=Nc3cccc(C)c3)N(c3cccc(C)c3)C2=O)cc1 2296826705 GDWOIBUCYZPXAM-UHFFFAOYSA-N 440.568 6.677 30 10 IKEE C=CCSC1=NC(=Cc2ccc(C(F)(F)F)cc2)C(=O)N1c1ccc(OCC)cc1 2297337927 XLCMABIRQLBQIG-UHFFFAOYSA-N 432.467 5.767 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3oc(-c4ccccc4)c(CC(=O)O)c3c2)cc1OC 2297679932 RSPXFZABPGRFMP-UHFFFAOYSA-N 442.467 5.640 30 10 IKEE CC#CCN(C[C@H](NCCC)c1scc(Br)c1C)C(=O)OC(C)(C)C 2316107562 VHSKYWISSHSRAW-INIZCTEOSA-N 429.424 5.120 30 10 IKEE CCOc1cc(C=Nn2c(SC)nnc2C(C)C)ccc1OCc1cc(C)ccc1C 2318417647 ARWQQNCTOMKAAX-UHFFFAOYSA-N 438.597 5.600 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCc4ccc(Br)cc4)cc(C)c3C2=O)c1 2321844737 YUCRDOVGZKVYHC-UHFFFAOYSA-N 435.317 6.261 30 10 IKEE Cc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(CCOc1ccccc1)C3 2322038390 WXUMVCJMADSUTK-UHFFFAOYSA-N 427.500 5.151 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(Cl)cc2Cl)c1OCc1ccccc1 2322390860 ORLMLTZDYYTMOP-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccccc2OCc2ccccc2Cl)c(OCC)c1 2322907743 NSGYOHVNMIGUPK-UHFFFAOYSA-N 436.935 6.613 30 10 IKEE Cc1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2cn(C)c4ccccc24)C3=O)cc1 2323063343 FXPSFHDANNTXCG-UHFFFAOYSA-N 449.506 6.030 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4C)cc(C)c3C2=O)c1 2323260639 GILXLTGLZMPXSG-UHFFFAOYSA-N 445.427 5.056 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 2323557336 YDJWABJBQPBXFV-UHFFFAOYSA-N 434.963 7.166 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Br)c2)ccc1OCc1ccccc1 2323665657 VVYMDCIWHAJLRD-UHFFFAOYSA-N 437.333 6.323 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccs2)C3=O)cc1 2323886587 ISQYJRMAFWDFBC-UHFFFAOYSA-N 434.469 5.207 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2C)C3=O)c1 2323896138 QNGAWGGNRQCJDF-UHFFFAOYSA-N 442.467 5.454 30 10 IKEE CCCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(C)c2)C3=O)c1 2323921199 RXEAAGXYABODFL-UHFFFAOYSA-N 442.467 5.536 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 2323936956 QOZYVPWXIQKBMD-UHFFFAOYSA-N 436.935 6.613 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1ccc2c(c1)OCCO2 2324035227 LWPHXAVXRYEBAL-UHFFFAOYSA-N 441.310 6.240 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OCC(=O)NCc2ccco2)cc1 2324220217 ZHUJWZYICFVNTF-UHFFFAOYSA-N 447.531 5.177 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)c1 2324455473 BCKKPPYNKWDFKA-KRWDZBQOSA-N 447.918 5.979 30 10 IKEE COc1cccc(C=C2Oc3cc(OCCCOc4cccc(C)c4)ccc3C2=O)c1OC 2324561625 CYAAWAZNNFJRIH-UHFFFAOYSA-N 446.499 5.476 30 10 IKEE COc1ccc(OC)c(C=C2Oc3c(ccc(OCc4cc(C)c(C)cc4C)c3C)C2=O)c1 2324765154 QSBYICPUMXOCDS-UHFFFAOYSA-N 444.527 6.133 30 10 IKEE Cc1cc(OCC(=O)OCC(C)C)cc2c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O2 2325068747 GOWPDXRASXYJAG-UHFFFAOYSA-N 435.303 5.496 30 10 IKEE CCCCCCCCCOc1ccc2c(c1)OC(=Cc1ccc(N(CC)CC)cc1)C2=O 2325191551 RBSNXRBATCTTLJ-UHFFFAOYSA-N 435.608 7.278 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1OC(=O)c1cccnc1 2325666363 VIKKFLLQKQHSMN-UHFFFAOYSA-N 435.479 5.873 30 10 IKEE O=C(CC12CC3CC(CC(C3)C1)C2)Oc1cccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)c1 2325690100 AAXYLBHSVFOWRR-UHFFFAOYSA-N 445.515 6.003 30 10 IKEE COc1ccccc1CC(=O)Oc1cccc(C=CC(=O)c2ccc(Cl)cc2Cl)c1 2325709087 VSQDWHUNKBOUEP-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2Cl)cc1OC(=O)c1c(F)cccc1Cl 2325717056 LQHTUFFIDZISGW-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2Cl)cc1OC(=O)CSc1ccccc1 2325717214 RTXASRTUSCUHER-UHFFFAOYSA-N 438.932 5.942 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)COc3c(C)cccc3C)c2)cc1 2325718637 NVSRJAFPIPLAFQ-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE COc1cc(C(=O)C=Cc2ccc(OC)c(OC(=O)CC(C)C)c2)c(OC)cc1Cl 2325758448 CEYFEOLAYQSSLD-UHFFFAOYSA-N 432.900 5.213 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3cccs3)c2)c(OCC)c1 2325762643 IQOOLEDHJYRBPA-UHFFFAOYSA-N 436.529 5.590 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccccc1OCC(C)C 2326252092 DWPIXVGGUIKTCH-UHFFFAOYSA-N 440.588 5.969 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2C)n1N=Cc1ccc(Cl)cc1 2327094638 QFSZLQNAOAEVBX-UHFFFAOYSA-N 441.000 5.802 30 10 IKEE Cc1cccc(C=Nn2c(COc3ccccc3)nnc2SCc2ccccc2C)c1 2329883901 BCCLSFKAPDXGSM-UHFFFAOYSA-N 428.561 5.648 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3Cl)n2N=Cc2ccccc2)cc1 2330004218 PETZHRPXKXBJGA-UHFFFAOYSA-N 432.980 6.005 30 10 IKEE Oc1cccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2-c2cccs2)c1 2330604750 PWUFAROKPKUVGK-UHFFFAOYSA-N 426.954 5.540 30 10 IKEE CCCSc1nnc([C@@H]2CCCO2)n1N=Cc1ccc(N(CC)Cc2ccccc2)cc1 2330976918 JCCWFMFFXZBZQS-QHCPKHFHSA-N 449.624 5.540 30 10 IKEE Fc1ccccc1CSc1nnc(-c2ccco2)n1N=Cc1ccc(C(F)(F)F)cc1 2331206828 QFDPIDVTKIRDAJ-UHFFFAOYSA-N 446.429 5.871 30 10 IKEE CCCSc1nnc(-c2ccco2)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2331216222 DTQPQKSDNQUJDP-UHFFFAOYSA-N 432.505 5.142 30 10 IKEE CCCSc1nnc(CCOC)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2331294500 YRBKMORHLNWJJC-UHFFFAOYSA-N 444.988 5.084 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cncc(C)c3)c([N+](=O)[O-])c2)c(C)c1C 2331618133 KCYATUUNUNXBSR-UHFFFAOYSA-N 446.459 5.039 30 10 IKEE COc1cc(C=Nn2c(SCc3cccc(C)c3)nnc2C2CC2)ccc1OC(C)C 2331731188 JPBDTRLQJCRSNA-UHFFFAOYSA-N 436.581 5.434 30 10 IKEE CC1(C)OB(c2cc(Cl)cnc2Oc2ccc(Br)cc2Cl)OC1(C)C 2339446400 NEYVXOQSOXSMFF-UHFFFAOYSA-N 444.949 5.242 30 10 IKEE CC#CCN(C[C@H](NCCC)c1cc(C)c(Br)c(C)c1)C(=O)OC(C)(C)C 2363132159 MEHSMIODDZIHRI-IBGZPJMESA-N 437.422 5.367 30 10 IKEE CCC(/C=N/n1c(-c2cc(OC)ccc2OC)cs/c1=N\c1ccc(F)cc1)CC 12564330 ADBPHKCZGXLARO-YMAOWCHGSA-N 427.545 5.875 30 10 IKEE CC(C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N\c1ccc(Cl)cc1 12647656 SJSZQPZVWZZHQE-YQMDHOPXSA-N 433.936 5.095 30 10 IKEE C=CCN(C(=O)CSc1nnc(-c2ccoc2C)n1Cc1ccccc1)c1ccccc1 18477898 YJUAHYNRJQPCCA-UHFFFAOYSA-N 444.560 5.206 30 10 IKEE Cc1ccc([C@@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccc(C)cc4C)nn32)cc1 20134160 PFWHAJLRLJTNSM-HSZRJFAPSA-N 430.577 5.518 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccnc2)cc1 21253477 GGFNFFGMQTXBQC-HRFSGMKKSA-N 425.532 5.850 30 10 IKEE CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 27547165 YNHOOWWJUHDADK-QFIPXVFZSA-N 438.930 5.722 30 10 IKEE COc1cc([C@H]2C3=C(C[C@@H](c4ccc(Cl)cc4)CC3=O)Nc3onc(C)c32)ccc1O 28052261 LLRSHVCWDRHYSA-IVZQSRNASA-N 436.895 5.309 30 10 IKEE N#CC1(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4Cl)o3)cc2)CCCC1 30829143 LTNVIHWZHSPNIS-UHFFFAOYSA-N 425.315 6.841 30 10 IKEE C=C(C)C(=O)NCCCc1nc2ccccc2n1CCCOc1ccc([C@@H](C)CC)cc1 35145007 NRGPRYDJDTUWTL-NRFANRHFSA-N 433.596 5.644 30 10 IKEE CC(C)Oc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccccc4)nn32)cc1 54642288 AGYJQPBBBYCYSL-QHCPKHFHSA-N 446.576 5.380 30 10 IKEE Cc1ccc(/C(CSc2nc3ccccc3o2)=N\Nc2ccc([N+](=O)[O-])cc2)c(C)c1 59460536 MBLCQXWPGVDNLQ-QLYXXIJNSA-N 432.505 5.961 30 10 IKEE CCCCCCCCCCCCCCCCNC(=S)NC(=O)Cc1ccccc1C 59854020 SHTFJYMNEYEMQU-UHFFFAOYSA-N 432.718 7.010 30 10 IKEE C=Cc1ccc(COc2ccc3c(c2)O/C(=C\c2ccc(N(CC)CC)cc2)C3=O)cc1 62957607 WHMWZESQNCZTSW-PKAZHMFMSA-N 425.528 6.371 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H](CNc2nc3ccccc3n2Cc2ccc(C#N)cc2)C1 95085304 YMXYYURGMXAHNE-OAQYLSRUSA-N 445.567 5.015 30 10 IKEE CCCCCCCCCCCCCCCCNCC(=O)Nc1cc(Cl)ccc1Cl 100055636 IRWNMMMELJSGGB-UHFFFAOYSA-N 443.503 8.003 30 10 IKEE COCCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3)c2C)S/C1=N/c1ccccc1 101695380 YAQQDEQVRJHYNY-AOUVVKEYSA-N 431.561 5.345 30 10 IKEE CCCCCCCCCCCCn1c(CN(C)C(=O)c2cccnc2)nc2ccccc21 102102776 OSANNUIHUZYVBF-UHFFFAOYSA-N 434.628 6.624 30 10 IKEE COc1ccc(/C=C2/C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1OC 118919485 IXKJEQQDDXKZRU-GJXYYZHASA-N 436.592 5.590 30 10 IKEE CC(C)n1c(-c2cc(Br)c(Br)s2)nc2cc(C#N)ccc21 128587642 YPDRNKSYPSKCSR-UHFFFAOYSA-N 425.149 5.742 30 10 IKEE C=CCn1c(C(=O)Nc2sc(C)c(C)c2C(=O)OCC)c(C)c2cc(C(C)C)ccc21 169874152 ZSXLTVPSXCLZRJ-UHFFFAOYSA-N 438.593 6.366 30 10 IKEE CCCCCCCCCOc1ccc(-c2nc3cc(C)ccc3[nH]2)cc1Br 169942792 VFMLWZUIYCIJIR-UHFFFAOYSA-N 429.402 7.430 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@@H]2c2cccs2)c1 169986260 VEHUOWOIRHTBOO-HSZRJFAPSA-N 441.508 5.693 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccnc2)cc1 170006807 MISUTTORKSGOJR-HSZRJFAPSA-N 440.455 5.009 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCC2)cc1 170033875 NIRAKDZDSNMLSM-DEOSSOPVSA-N 433.548 5.613 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2ccccc2)cc1 170052352 JHLBDRJFTZDQAR-QHCPKHFHSA-N 447.918 5.830 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2cccc(O)c2)cc1 170081028 SCOGSKBAXQSAAS-JOCHJYFZSA-N 433.891 5.391 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)o1 170101925 MFIFIKLVJKHRDM-QFIPXVFZSA-N 449.890 5.268 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc(OC)c1 170121089 XNNRXSDBLQUDPX-XMMPIXPASA-N 429.516 5.617 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 170150187 IROPFTYOSILBHL-XMMPIXPASA-N 449.591 6.007 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccncc2)c1 170202925 UWHWSDDOQNIOTP-DEOSSOPVSA-N 442.515 5.270 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1C 170235283 XXZFCVHLSCJLMB-HSZRJFAPSA-N 447.918 5.830 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2C2CCCC2)cc1 170246328 SLLPQZPVROWJHS-XMMPIXPASA-N 431.532 5.266 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 170246448 IEXZPMJDXQCNRW-FQEVSTJZSA-N 448.346 5.769 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccccc2F)cc1 170249282 LJGNWZCJWCLRLL-HSZRJFAPSA-N 426.447 5.398 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccco1 170284328 TWRGUZRAPUJZFN-IBGZPJMESA-N 428.271 5.678 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccco2)cc1 170285280 RZLMKUAMRAXDBV-QFIPXVFZSA-N 429.428 5.207 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2ccccc2C)o1 170305644 HODXEUOKSIDSQS-MWTRTKDXSA-N 429.472 5.003 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cccc(C)c2C)ccc1OC 170440440 YUOMTJVTTDHCJV-JOCHJYFZSA-N 437.536 5.226 30 10 IKEE CCCN1C(=O)/C(=C\c2cc(Cl)c(O)c(OC)c2)SC1=Nc1ccc(OCC)cc1 252635951 XCYWWJXXNPXLAA-HOMYTQLHSA-N 446.956 5.467 30 10 IKEE Oc1ccc(Br)cc1C=Nc1ccc(O)c(-c2nc3cc(Cl)ccc3o2)c1 254708999 YHZIJWSHHNLTGE-UHFFFAOYSA-N 443.684 6.073 30 10 IKEE CCCCCOc1ccc(C(=O)Oc2ccc(C=Nc3cccc4ccccc34)cc2)cc1 254743989 JFHZPJRQSGWFOV-UHFFFAOYSA-N 437.539 7.379 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccc(F)c2)c1 526606489 KXEQYDVOPOIYFY-RUZDIDTESA-N 442.490 5.933 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1c(C)[nH]c2ccccc12 526815172 PRRBAZOBDPSGJU-MYKKPKGFSA-N 444.391 6.112 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1c(O)ccc2ccccc12 526821178 FRIVPHLRNQYWPZ-YUMHPJSZSA-N 438.556 6.027 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1ccccc1OCC(C)C 526826117 UZWILXQJCFDFFU-YSMPRRRNSA-N 440.588 5.969 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1cc(Cl)ccc1F 698406404 KPWFXJVSBFPNOF-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@H](C#N)c1cc(F)cc(Br)c1 710779031 TVANPQLIAVMQGU-INIZCTEOSA-N 425.323 5.652 30 10 IKEE O=[N+]([O-])c1cc(Br)c(O)c(C=Nc2ccc3oc(-c4ccncc4)nc3c2)c1 1084528070 JGRYUETVEAPBFZ-UHFFFAOYSA-N 439.225 5.017 30 10 IKEE C=CCOc1cccc(NC(=O)CNc2nc(C)nc3sc(-c4ccccc4)cc23)c1 1442178069 RJMGMKBXMVVYHV-UHFFFAOYSA-N 430.533 5.282 30 10 IKEE N#C[C@H](c1ccc(Br)cc1F)C1CCN(C(=O)OCc2ccccc2)CC1 1614721468 UBRRVMOTOXIHKB-IBGZPJMESA-N 431.305 5.244 30 10 IKEE C=CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=Nc1cccnc1Cl 1772732979 IKYSWLRUYJQLGO-AZAZKDLZSA-N 434.746 5.288 30 10 IKEE O=C1/C(=C\c2c[nH]c3ccccc23)SC(=Nc2ccncc2Cl)N1C1CCCCC1 1772737708 QGTCFOITMUZGGB-RGXDOQKYSA-N 436.968 6.153 30 10 IKEE CCCCCCCCCSc1nc(Cl)c2c(n1)S[C@H]1CN(C(C)=O)CC[C@H]21 1857801315 TXRXRKFWAMTLEI-HOTGVXAUSA-N 428.067 5.783 30 10 IKEE COc1cc(-c2nc3ccc(C(=O)Nc4ccc(C#N)cc4)cc3[nH]2)cc(Cl)c1OC 1859440733 URWXMEYFORAHAI-UHFFFAOYSA-N 432.867 5.024 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1F)c1c(F)cc(F)cc1F 1862457276 MGVDLFSGZGDNPH-NRFANRHFSA-N 441.380 5.022 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccc(C)cc2)cc1 1862476040 ABHBLNAJPKZBGZ-DEOSSOPVSA-N 427.500 5.091 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1Cl 1862476356 JDRQWKZLXPVXCR-JOCHJYFZSA-N 441.955 5.434 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 1862481246 ALHMYJLIWMOJHE-NRFANRHFSA-N 444.358 6.213 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccc(F)cc2)c1 1862490043 MMPNDEZYWNNPQV-UUOWRZLLSA-N 429.491 5.782 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 1862491837 CSWMIEJMXLVLAV-QFIPXVFZSA-N 434.492 5.123 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2cccc(Cl)c2)cc1 1862535192 BPZRFEVHODJUGE-FQQGMQMYSA-N 437.967 6.059 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2cccc(Cl)c2)cc1 1862535260 CIHVPSSQCPWDPX-MZNJEOGPSA-N 445.946 6.242 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1cccc(Cl)c1 1862592091 VFIJLRWDNBOPEY-NYHFZMIOSA-N 433.891 5.385 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc2cc[nH]c2c1 1862614519 CWRUKKPDSAUDJK-XMMPIXPASA-N 444.575 6.234 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccccc1C 1862626044 SQCUUEBQJDBJNY-NTKDMRAZSA-N 449.547 5.661 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)c1 1862648904 MCVYMAMHRCPTJA-GJQIQAERSA-N 439.555 6.305 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccc1 1862649130 QTQRTKCMBWQPFE-NIYFSFCBSA-N 433.507 6.179 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C2CC2)cc1 1862658970 WOVGMWYQKWGASD-RUZDIDTESA-N 441.527 5.759 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)cc1 1862686926 CSKLVDJGFKNLGJ-OZWPHOJSSA-N 433.548 5.415 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862727775 LOOPTHHMSNGUAX-QHCPKHFHSA-N 440.455 5.026 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3cccc4ccccc34)C2=O)c1 1862841221 XONBHCZRZLQXOY-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE N#Cc1ccc(N2C(=O)C(Nc3cccc(F)c3)=C(c3cccc4ccccc34)C2=O)cc1 1862849628 XYIFHYKOVHEJJL-UHFFFAOYSA-N 433.442 5.247 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccccc2C)=C(c2ccc(F)cc2)C1=O 1863144658 PUZXYACWQFPEBS-UHFFFAOYSA-N 436.571 6.467 30 10 IKEE N#Cc1ccc(NC2=C(c3cccc4ccccc34)C(=O)N(C3CCCCCCC3)C2=O)cc1 1863223826 AGLOGYJDJCNWNN-UHFFFAOYSA-N 449.554 6.016 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(N(C)C)c2)=C(c2ccc(C)cc2)C1=O 1863268630 JMBHYBSGRBSMRE-UHFFFAOYSA-N 433.596 5.614 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccco2)=C(c2cccc3ccccc23)C1=O 1863583888 RSXPPAALTVBJCH-UHFFFAOYSA-N 430.548 5.663 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2[N+](=O)[O-])C(=O)N([C@H](C)CC)C1=O 1863596533 WTYNEHKXVWJGKN-GOSISDBHSA-N 429.561 5.204 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccco2)=C(c2ccc(OCCC)cc2)C1=O 1863685280 KKRLKIMEKQTJFT-UHFFFAOYSA-N 438.568 5.299 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@@H](C)CC)=C(c2ccc(OC)cc2OC)C1=O 1863753546 GNHYHAGWFUONFV-IBGZPJMESA-N 444.616 5.313 30 10 IKEE CC[C@@H](C(=O)N[C@@H](C(=O)Nc1cccc(C#N)c1)c1ccccc1)c1ccc(Cl)cc1 1866947415 BSBFITQZIQMSSH-DHIUTWEWSA-N 431.923 5.201 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC(N3CCCCC3)CC2)nc(-c2ccccc2C)n1 1867960685 DVKWZJFPPWVDOL-UHFFFAOYSA-N 431.628 5.085 30 10 IKEE C=CCn1cc(OCC(=O)N(c2ccccc2)c2ccccc2)c(=O)cc1CSCC 1870226170 ZYZLJIABLZLZAD-UHFFFAOYSA-N 434.561 5.031 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(F)cc2)c(CN(CCC)CCC)cc1=O 1870410659 ABSUUJBTLNNOAB-UHFFFAOYSA-N 430.608 6.007 30 10 IKEE CCCCCCCOc1cn(C[C@@H](O)c2ccc(Cl)cc2)c(CN(CC)CC)cc1=O 1870414321 LKJSUMMQBCWLDS-XMMPIXPASA-N 449.035 5.426 30 10 IKEE CC(=O)Nc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2sccc2C)C3=O)c1 1871365092 NHBZNKQIPFFNGM-NDENLUEZSA-N 433.485 5.159 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)c1 1871387477 XBXFDPDURSMTEV-UUYOSTAYSA-N 445.427 5.137 30 10 IKEE CCOC(=O)c1ccc(Oc2coc3cc(OCc4ccc(C#N)cc4)ccc3c2=O)cc1 1871417342 JOIYDSPNNNEMRE-UHFFFAOYSA-N 441.439 5.213 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OCC(=O)NC4CCCCC4)ccc3C2=O)c2ccccc21 1871438007 KFPRCUZJXFYHGN-QFEZKATASA-N 444.531 5.105 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2cccs2)C3=O)cc1 1871450770 QACOKMDOWAMOHE-GMPVXANTSA-N 447.556 6.204 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4Cl)ccc3C2=O)cc1 1871455465 NRBOLGLSDYESDU-CFRMEGHHSA-N 447.918 6.097 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3cccc(C)c3C)ccc2C1=O 1871458981 JMVBONWKSPNEGJ-QFEZKATASA-N 443.499 5.336 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccccc1C)C2=O 1871459281 PFYOHPABTHKUCH-IWIPYMOSSA-N 427.500 5.500 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1872249893 NSEPEDQQWSVZSI-QHCPKHFHSA-N 442.625 5.294 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 1872452720 KJRWAXVTUVURJN-JOCHJYFZSA-N 449.016 5.269 30 10 IKEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCCCNC(=O)c3ccccc3)n2)cc1 1872769748 AYLTVNUOLYWAQM-NRFANRHFSA-N 431.561 5.285 30 10 IKEE N#Cc1cccc(NC2=C(c3cccc(Cl)c3Cl)C(=O)N(Cc3ccccc3)C2=O)c1 1873333883 GAIHRSPKDKXWRC-UHFFFAOYSA-N 448.309 5.257 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1cccc(C)c1)n2CCCC 1873621165 IQNYOHBFYIJVID-UHFFFAOYSA-N 435.616 6.565 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(Cl)cc1C)n2CC(C)C 1873657117 YTGDMBAKMHWARR-UHFFFAOYSA-N 437.975 5.480 30 10 IKEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3ccccc3OCCCC)c(=O)oc2c1 1873953702 LTSUHTABVXDCPT-UHFFFAOYSA-N 449.547 5.807 30 10 IKEE CCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccc(Cl)cc1 1874213141 XGMPQPBWSVJDCH-OEAKJJBVSA-N 435.380 5.591 30 10 IKEE Cc1ccc(CSc2nnc(COc3c(C)ccc(C)c3C)n2/N=C/c2ccco2)cc1 1874252964 DSRHNVQVGHODDL-VULFUBBASA-N 446.576 5.858 30 10 IKEE Cc1ccccc1CSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccc[nH]1 1874253058 IYEWRLIRGIPTMK-MZJWZYIUSA-N 445.592 5.593 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2Cl)n1/N=C/c1c[nH]c2ccccc12 1874266526 BGWYZQKSTQDIGB-BRJLIKDPSA-N 437.956 5.542 30 10 IKEE CCOc1ccc(Cc2nnc(SCC)n2/N=C/c2ccc(C(F)(F)F)cc2)cc1 1874303323 SPGTTYGQIIUSDK-AFUMVMLFSA-N 434.487 5.281 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1cccc(OCCC)c1 1874358093 OFRGGISOADUJLG-WGOQTCKBSA-N 434.609 5.825 30 10 IKEE C(=N/n1c(Cc2cccs2)nnc1SCc1cccc2ccccc12)\c1ccccc1 1874413691 GLEFODXPQDQZGP-YZSQISJMSA-N 440.597 6.258 30 10 IKEE C=CCSc1nnc(-c2ccco2)n1/N=C/c1ccc(OCCCCCC)c(OC)c1 1874467811 CWDJCFGMFBQWCP-JJIBRWJFSA-N 440.569 5.666 30 10 IKEE CC(C)(C)c1nnc(SCCc2ccccc2)n1/N=C/c1ccc(Br)cc1 1874484410 VALXRFQTFDTJJE-HZHRSRAPSA-N 443.414 5.555 30 10 IKEE Cc1ccccc1COc1ccc(/C=N/n2c(C)nnc2SCCc2ccccc2)cc1 1874531422 IZKMCRBGDIGKOE-OVVQPSECSA-N 442.588 5.691 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/n2c(S)nnc2C2CCC2)cc1OC 1874559460 SUHNXRXKXOZQSG-JJIBRWJFSA-N 430.618 5.855 30 10 IKEE O=C(/C=C/c1c(OCc2ccccc2F)ccc2ccccc12)c1ccc2ccccc2c1 1874571192 AMKVOSZJKLXUQH-WUKNDPDISA-N 432.494 7.607 30 10 IKEE Cc1cccc(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc3c(c2)CCCC3)c1C 1874571720 BWWWVRXUROEASR-WUKNDPDISA-N 439.555 6.096 30 10 IKEE O=C(/C=C/c1cc(Br)ccc1OCc1ccccc1)c1ccc2c(c1)CCCC2 1874571744 DLWDCAXQAONUFY-WYMLVPIESA-N 447.372 6.803 30 10 IKEE Cc1cccc(NC(=O)COc2ccccc2/C=C/C(=O)c2c(C)c(C)cc(C)c2C)c1C 1874586964 NOIQKATWMSFLRY-CCEZHUSRSA-N 441.571 6.451 30 10 IKEE Cc1ccc(NC(=O)COc2cccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)c2)c(C)c1 1874593105 SCNWVENIYOKLSY-ZRDIBKRKSA-N 430.460 5.125 30 10 IKEE CCCOc1c(OC)ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1Br 1874593685 WNUNKPZJBYNOPU-XBXARRHUSA-N 444.152 6.449 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OCC(=O)Nc1cc(C)cc(C)c1 1874596292 RSKWHMHDBINSJA-CSKARUKUSA-N 443.543 5.842 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 1874601801 DSKPTCSPKKRYNX-XNTDXEJSSA-N 430.460 5.071 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3C)c([N+](=O)[O-])c2)c(C)c1 1874617606 KQOKPDDJBFEMLO-FMIVXFBMSA-N 444.487 5.434 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OCC(=O)Nc1ccc(C)cc1 1874618936 ALHYMPOCUFOYJR-XYOKQWHBSA-N 445.515 5.234 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OCc1cccc2ccccc12 1874627354 LEGRWIIICSKOGF-UKTHLTGXSA-N 430.450 6.602 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)ccc1OCCc1ccccc1 1874636081 IBMXQJFFLCRXPV-FMIVXFBMSA-N 436.935 6.265 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)ccc1OCc1ccc(C)cc1 1874637807 SNKCEJBZZDKWMP-ACCUITESSA-N 430.544 6.494 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)ccc1OCc1ccc(C)cc1 1874639647 JIJBFGXIHKSYDJ-JLHYYAGUSA-N 448.515 5.505 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCCOc3ccccc3)c2)cc1 1874701617 BOQUOTZBGWWAFC-QGOAFFKASA-N 444.527 6.136 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OC(=O)c1cccc([N+](=O)[O-])c1 1874713951 WMXGUYSCBPTXCI-DHZHZOJOSA-N 431.444 5.336 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(OCC(C)C)cc2)CSc2nnc(C)n21 1874829358 RKXLWNJLDNCAQT-QFIPXVFZSA-N 444.645 5.684 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1C 1875094180 GDWLAUBVPFHSPC-ACCUITESSA-N 431.444 5.417 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3Cl)cc2)cc1 1875104685 JMKPHVKUKWCDAH-VGOFMYFVSA-N 425.311 6.671 30 10 IKEE O=C(Cc1ccccc1F)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1Cl 1875120873 ODBPAGFLJAAMGE-WEVVVXLNSA-N 430.809 5.802 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)c1ccc(Cl)cc1 1875122759 LEWYMTHMFXQJBX-KGVSQERTSA-N 431.702 6.762 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc(Cl)c3)cc2[N+](=O)[O-])c1 1875124326 HJFUXMBMYOKNHH-CSKARUKUSA-N 437.835 5.372 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)c1cc(C)cc(C)c1 1875129176 NUSFWJLASZJYIP-OUKQBFOZSA-N 426.512 6.156 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1cccs1 1875132996 YXRPAURUVJTGAN-WEVVVXLNSA-N 447.339 6.569 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3)c(Cl)c2)cc1 1875137589 USLUEDMHHNPDBN-RIYZIHGNSA-N 434.919 6.173 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)[C@H]3C[C@H]3c3ccccc3Cl)cc2)c(C)c1 1875182763 UJNJQSJPVQRLOA-GHZUOVKESA-N 444.958 6.870 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)CC(C)(C)C 1875184638 JKYSIGFRGDFQDE-VAWYXSNFSA-N 434.576 6.587 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(F)c3)c(OC)c2)cc1Cl 1875186357 RPLXZNJKRUMOPE-RMKNXTFCSA-N 440.854 5.612 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3C)cc2)cc1C 1875186564 BGPWWEJGYYSQRW-RVDMUPIBSA-N 428.528 6.055 30 10 IKEE C=C[C@H](C)SC(C)(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1883383986 WUANKFQJBZZTDX-YCRPNKLZSA-N 425.550 5.065 30 10 IKEE O=C(Nc1ccc(F)c(C(F)(F)F)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 1891502213 WPHLAGYHCQRXLU-UHFFFAOYSA-N 435.343 5.217 30 10 IKEE CC1(C)CN(C(=O)OC(C)(C)C)C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C1 1922770774 BXGUOKUKBVJGAL-XMMPIXPASA-N 447.551 5.497 30 10 IKEE CC1(C)CC[C@@H](Nc2ccc(C#N)c(Br)c2)[C@H](CNC(=O)OC(C)(C)C)C1 1927067678 FAFZXYYDARKHOX-MAUKXSAKSA-N 436.394 5.452 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(C)sc(C)c1Br 2027387450 AYYXWCLDSURWNZ-WMLDXEAASA-N 431.440 5.638 30 10 IKEE CC[C@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)CN1C(=O)OC(C)(C)C 2040670196 GHVVZZIYHBBIGV-UUOWRZLLSA-N 447.551 5.639 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@]1(C#N)Cc1ccc(Cl)c(Br)c1F 2047953980 LPNXZRUYHDAPSL-GOSISDBHSA-N 431.733 5.467 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2)C2(CCC2)C1 2075894899 IZCOGNVTRPZDER-PMACEKPBSA-N 441.572 5.357 30 10 IKEE N#Cc1c(C2CC2)nn([C@H](c2ccc(C(F)(F)F)c(F)c2)C2CCC2)c1Br 2079986079 QXHLXWVMDYACAE-KRWDZBQOSA-N 442.254 5.942 30 10 IKEE FC(F)c1nn(C(F)F)c(I)c1-c1ccc(C(F)(F)F)cc1 2080716953 YFNXZOGEZXAKGC-UHFFFAOYSA-N 438.084 5.506 30 10 IKEE CCCCCC#CC[C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2083429786 DJXKZFXEQRRMIH-PZUNEJSGSA-N 444.660 5.827 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@@H](C#N)c1ccc(Br)c(Cl)c1F 2098124803 YNZDFUJCSXKHSY-LBPRGKRZSA-N 446.708 5.744 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@](C#N)(Nc3ccc(Br)cc3)C[C@@H]21 2166974211 PRDWQOAUDBYIIM-YWMUFLPLSA-N 434.378 5.323 30 10 IKEE Cc1sc([C@@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)c(Br)c1C 2221780555 OCYMMOLTVLNCFG-CQSZACIVSA-N 441.416 6.191 30 10 IKEE C=CC[C@H](C)[C@H](NCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229136709 QUEIUIDHECNXNR-IPELMVKDSA-N 425.411 5.075 30 10 IKEE O=C(OCc1ccccc1)N(CC(F)(F)F)[C@@H](CO)c1ccc(C(F)(F)F)cc1F 2235302408 OYNAMLNBMLEANC-INIZCTEOSA-N 439.327 5.079 30 10 IKEE CCCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C#Cc1ccccc1Br)NCCC 2235730251 OALVNNXBEOFJCX-WOJBJXKFSA-N 437.422 5.252 30 10 IKEE C=CC1(C[C@@H](NC)[C@H](Cc2cccc(Br)c2)NC(=O)OC(C)(C)C)CCC1 2237409807 QQYTVKQEOHDKFA-RBUKOAKNSA-N 437.422 5.219 30 10 IKEE COc1cccc(C#CC(=O)c2ccc(Br)cc2NC(=O)OC(C)(C)C)c1 2237852704 YNIISYFBGQNSEI-UHFFFAOYSA-N 430.298 5.039 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCCC)c2cccc(Cl)c2Br)C1 2272000818 WURJGLGPDYWUNY-KRWDZBQOSA-N 443.813 5.757 30 10 IKEE C=C1CC(C[C@@H](OCCN)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1 2277268279 BXAPZGWHJUMVDS-MUUNZHRXSA-N 443.587 6.217 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](C[C@@H](O)C#Cc1ccc(Br)cc1)C1CCCCC1 2296292445 YLWIYPGJYRBPTK-PMACEKPBSA-N 436.390 5.025 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)CN(CC(C)C)C(=O)OC(C)(C)C 2296299644 XUXLOMFGSCWPOU-HXUWFJFHSA-N 437.422 5.062 30 10 IKEE CN[C@@H](C#Cc1ccc(Br)cc1)c1cccc(C)c1NC(=O)OC(C)(C)C 2296302272 HCLZXQSPVHOTTB-IBGZPJMESA-N 429.358 5.417 30 10 IKEE Cc1cccc(C=C2Oc3cc(OS(=O)(=O)c4ccc(Cl)cc4)ccc3C2=O)c1 2296871455 YGDKRWHBKSECKE-UHFFFAOYSA-N 426.877 5.032 30 10 IKEE O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccc(Cl)cc2Cl)C1=C(O)c1ccccc1 2296925522 KTVQIUIZLKMUFG-HXUWFJFHSA-N 439.298 5.010 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@H]1CCC[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C 2298154518 IGDLHWRRFXQWCG-XQUALCHDSA-N 428.617 5.163 30 10 IKEE C=CCOc1ccccc1C=C1SC(=Nc2cccnc2Cl)N(c2ccccc2)C1=O 2314540801 YUJHOPSDVMIXGB-UHFFFAOYSA-N 447.947 6.108 30 10 IKEE CC(=C1SC(=Nc2cccc(C(=O)O)c2)N(C2CCCCC2)C1=O)c1ccc(C)c(C)c1 2314548856 XSWFBCUUSNIRIG-UHFFFAOYSA-N 448.588 6.328 30 10 IKEE CCCCCOc1ccc(C=CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1OC 2314730717 KWHQJQGCVWEYGZ-QGZVFWFLSA-N 438.593 5.974 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCc4ccc(C(=O)OC)cc4)cc(C)c3C2=O)cc1 2321859607 JHOLDYWWMQISGO-UHFFFAOYSA-N 428.484 5.539 30 10 IKEE C[C@H](c1ccccc1)c1nnc(S)n1N=Cc1cccc(OCc2ccc(F)cc2)c1 2321962176 XKYGUQNBMYLUSO-QGZVFWFLSA-N 432.524 5.319 30 10 IKEE Cc1ccccc1COc1ccccc1C=Nn1c(S)nnc1Cc1ccc(Cl)cc1 2322035098 XGGLMZPWCSDRKH-UHFFFAOYSA-N 448.979 5.581 30 10 IKEE COc1cccc(C=CC(=O)c2ccccc2Cl)c1OCC(=O)Nc1ccccc1F 2322437221 OGAHAYQDQFZHDP-UHFFFAOYSA-N 439.870 5.401 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2cccc3ccccc23)c1OCc1cccc(F)c1 2322724605 NLEKMQNZPQEABX-UHFFFAOYSA-N 446.905 7.116 30 10 IKEE Cc1cc(OC(=O)c2ccccc2Cl)cc2c1C(=O)C(=Cc1ccc(C(C)C)cc1)O2 2322725170 MGWUMEMFUIATFM-UHFFFAOYSA-N 432.903 6.607 30 10 IKEE COc1cccc2cc(C(=O)Oc3cc(C)c4c(c3)OC(=Cc3cccc(C)c3)C4=O)oc12 2322860280 XTSRYRFHPBKDMX-UHFFFAOYSA-N 440.451 5.894 30 10 IKEE COc1cccc(C=CC(=O)c2cc(Cl)cc(C)c2OC)c1OCc1ccc(C)cc1 2322942007 OFRYYNFEHPZECP-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE Cc1ccc(NC(=O)COc2cccc(C=CC(=O)c3ccc(Cl)cc3Cl)c2)cc1 2323075966 DBSVSKFWKHMMQZ-UHFFFAOYSA-N 440.326 6.215 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1OCc1ccc(Cl)cc1Cl 2323118317 ASPOFQAZYMHORN-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3ccccc3)c2)cc1 2323154341 YVEUQNLYXVRTCK-UHFFFAOYSA-N 445.515 5.398 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OCc2nc(O)c3ccccc3n2)c1 2323177377 IYWCSIDOPNEWPR-UHFFFAOYSA-N 426.472 5.128 30 10 IKEE CCCCCOc1ccc(C=NNc2nc(-c3ccc(C)cc3C)cs2)cc1OCC 2323857989 NMUIEBCLXGZPAM-UHFFFAOYSA-N 437.609 6.841 30 10 IKEE Cc1cccc(COc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2Br)c1 2323943971 JNCYGSNNUGJJTD-UHFFFAOYSA-N 435.361 6.849 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OCc1ccccc1C 2323959825 MHAGAPPSOAMLNP-UHFFFAOYSA-N 426.556 6.824 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2324376044 YOHFHDMAXBEGRR-QGZVFWFLSA-N 447.918 5.979 30 10 IKEE N#C[C@H](C(=O)C=Cc1ccc(Cl)c(Cl)c1)c1nc(-c2cccc(Cl)c2)cs1 2324475124 STTXYPOYVJIBRJ-OAHLLOKOSA-N 433.747 6.660 30 10 IKEE Cc1ccc(OCCCCOc2cc(C)c3c(c2)OC(=Cc2ccccc2C)C3=O)cc1 2324589069 CYHXVFQMPUUMOW-UHFFFAOYSA-N 428.528 6.466 30 10 IKEE Cc1ccccc1C=C1Oc2cc(O[C@H](C)C(=O)Nc3ccc(Cl)cc3)ccc2C1=O 2324610103 OQIMFARAJNQPCZ-MRXNPFEDSA-N 433.891 5.671 30 10 IKEE N#Cc1cc(Br)c(NC(=O)C=Cc2ccc(Cl)cc2)c(Br)c1 2325161722 YMLABMYIQXSFSN-UHFFFAOYSA-N 440.522 5.389 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 2325740019 XJAUIQUVSVUFKK-UHFFFAOYSA-N 445.471 5.644 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 2325746419 NXGIGZFVWBESGH-UHFFFAOYSA-N 440.583 7.397 30 10 IKEE COc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 2325746477 HJQXOSUSQZFZGS-UHFFFAOYSA-N 444.527 5.873 30 10 IKEE CCCOc1ccc(CC(=O)Oc2cc(C=CC(=O)c3ccc(F)cc3)ccc2OC)cc1 2325750829 DCTZQCUMJBHOFK-UHFFFAOYSA-N 448.490 5.667 30 10 IKEE CN(C)c1ccc(C(=O)Oc2cccc(C=CC(=O)c3cc(Cl)ccc3Cl)c2)cc1 2325774423 PHDYKUJBCBTUJN-UHFFFAOYSA-N 440.326 6.175 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Br)c(O)c(Br)c2)cc1C 2325791192 VMWPNVPRKXSUQI-UHFFFAOYSA-N 426.104 5.130 30 10 IKEE CCCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1cccc(F)c1 2326139937 DHZUBSRUGQXBCK-UHFFFAOYSA-N 432.952 5.651 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1cn(CC)c2ccccc12 2326442778 NFNLBIYXJMEHSD-UHFFFAOYSA-N 431.609 5.997 30 10 IKEE C=CCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccccc1OC(C)C 2327768048 IFBGFURBWFRSBE-UHFFFAOYSA-N 442.588 5.970 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2)n1N=Cc1cccc(O)c1 2329487243 GITCQSQNRBQMBR-UHFFFAOYSA-N 428.561 5.252 30 10 IKEE Cc1ccc(CSc2nnc(CCc3cccs3)n2N=Cc2ccccc2C)cc1 2329628000 JMOAYUIXQSEFLJ-UHFFFAOYSA-N 432.618 5.916 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccccc2F)n1N=Cc1ccccc1O 2329727782 ZFZXHPJSYVRJIH-UHFFFAOYSA-N 432.524 5.197 30 10 IKEE Fc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2c[nH]c3ccccc23)cc1 2329837329 RTBDBKYHYYXTOG-UHFFFAOYSA-N 441.535 5.664 30 10 IKEE Cc1cccc(CSc2nnc(CC3CCCCC3)n2N=Cc2ccc(O)cc2O)c1 2330246071 TYKWZVLNUVUCFW-UHFFFAOYSA-N 436.581 5.295 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3ccc(Cl)cc3)cc2)cc1 2330741137 BVNKAGIXRTUJKS-UHFFFAOYSA-N 448.946 6.563 30 10 IKEE Clc1cccc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CCCC2)c1 2331077590 CCDZEXBVJJGFAC-UHFFFAOYSA-N 431.392 6.417 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OC(=O)Cc1ccc(C)c(C)c1 2331136019 UQGVNWHLWPVASR-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE FC(F)(F)c1nnc(SCCc2ccccc2)n1N=Cc1cccc2ccccc12 2331141818 LWPQXHYPUBKKBR-UHFFFAOYSA-N 426.467 5.667 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C(F)(F)F)c(Br)c1)c1ccc(Cl)cc1 2331145015 IXYZMLVRVMINBY-UHFFFAOYSA-N 433.607 5.466 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc(Cl)c1OC(=O)C1CC1 2331245833 ZGSKJKUCTMDWCA-UHFFFAOYSA-N 439.722 6.257 30 10 IKEE CCCCc1nnc(SCCC)n1N=Cc1ccccc1OCc1ccccc1Cl 2331342569 JNMKEGGSXIOECJ-UHFFFAOYSA-N 443.016 6.237 30 10 IKEE Cc1cccc(C)c1OCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(F)cc2)cc1 2331512936 PPPHOEUKKFCJDB-UHFFFAOYSA-N 432.491 6.103 30 10 IKEE CCCc1nnc(SCCc2ccccc2)n1N=Cc1ccc(Br)cc1 2331652863 RLKRQYLGEUQSOL-UHFFFAOYSA-N 429.387 5.210 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)c1cnc(C)cn1 2331802473 XNVIZBYUEYTTKA-UHFFFAOYSA-N 444.531 5.515 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)ccc1OC(=O)C(F)(F)F 2331814696 PPDPVBMZOFBLMN-UHFFFAOYSA-N 449.208 5.374 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)c(OC)cc2C)ccc1OC(=O)c1cccc(F)c1 2331852627 YIGSWURTJPUQGH-UHFFFAOYSA-N 448.490 5.965 30 10 IKEE CN[C@H](C#CC1(SC)CCC1)c1cc(Cl)c(NC(=O)OC(C)(C)C)c(Cl)c1 2361357672 FFTPRFNZDMODBB-MRXNPFEDSA-N 429.413 5.890 30 10 IKEE CCCCCCCSc1nnc2c(n1)O[C@H](c1ccc(N(C)C)cc1)Nc1ccccc1-2 3655232 SCFHWZBBYMSUMU-HSZRJFAPSA-N 449.624 6.170 30 10 IKEE C[C@@H]1CCc2c(sc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2C#N)C1 20158994 QEDDPRQTBIOIPN-SECBINFHSA-N 432.389 6.034 30 10 IKEE C[C@@]12CC[C@@H]3[C@@H](CC[C@@H]4CCCC[C@]43C)[C@H]1CC/C2=N\N=C\c1ccccc1C(F)(F)F 20275655 FHIHDASURXFVSB-BTCDHYKESA-N 444.585 7.913 30 10 IKEE Cc1ccc(N/C=C2/C(=O)c3sccc3N(Cc3ccc(Cl)cc3)S2(=O)=O)cc1 20575727 HWQOTCFQQPERGT-UNOMPAQXSA-N 444.965 5.196 30 10 IKEE CCc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(Cl)c2)cc1 21226520 VRUSHDVPMDAUNY-HRFSGMKKSA-N 428.963 6.882 30 10 IKEE O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1cc(F)ccc1F)Nc1ccccc1N2 21238505 KBIRASIJDDYZDU-ODCWNRFASA-N 436.889 6.598 30 10 IKEE CCOc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccccc1OC)C2 21242284 KUYIVVPDDMQZIR-JMQGSBJISA-N 440.543 6.073 30 10 IKEE CCc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc([N+](=O)[O-])c2)cc1 21260568 FWHSRLJDKIWPTR-HRFSGMKKSA-N 439.515 6.137 30 10 IKEE CCOc1cc([C@H]2C3=C(C[C@@H](c4ccccc4O)CC3=O)Nc3onc(C)c32)ccc1OC 21349709 QBUAXCKLUMGEGR-VOIUYBSRSA-N 446.503 5.054 30 10 IKEE O=C1/C(=C\c2ccc(Br)s2)CC/C1=C\c1ccc(Br)s1 33247591 JCHGHRDQLMPPJN-FKJILZIQSA-N 430.186 6.165 30 10 IKEE [N-]=[N+]=Nc1c(F)c(F)c(C(=O)NCCCCCC/N=C(\N)C2CCCCC2)c(F)c1F 33754111 MNDFMKQTLOKLAQ-UHFFFAOYSA-N 442.461 5.413 30 10 IKEE O=C1NC(=N/c2ccc(O)cc2)/C(=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)S1 35485244 UXGQQFQZGRZXHF-ZDLGFXPLSA-N 431.300 6.487 30 10 IKEE C=CCC[C@@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1 36345923 LLJZTZSZBABHFL-XMMPIXPASA-N 433.596 5.821 30 10 IKEE COc1ccc2c(c1)O/C(=C\c1ccccc1OC(=O)c1ccc(C(C)(C)C)cc1)C2=O 39856408 QWWSHUJVZRRSQP-IWIPYMOSSA-N 428.484 5.828 30 10 IKEE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/Nc2cccc(C(F)(F)F)c2)CCC3)cc1 40824051 DAZPHTKRENAWBD-NDZAJKAJSA-N 441.453 6.320 30 10 IKEE Cc1ccc2nc(-c3ccc(/N=C/C(Br)=C/c4ccccc4)cc3)sc2c1 59434724 OUXKJATXHJXASF-KMPGCLQBSA-N 433.374 7.410 30 10 IKEE C#CCOc1ccc(Cl)cc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 59676234 YOLOAMHLRUVTJW-JVWAILMASA-N 448.975 6.295 30 10 IKEE C/C(=N/Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc2c(c1)Nc1ccccc1S2 89263131 ZYLFSAZTMMOTNB-ZRGSRPPYSA-N 444.438 6.658 30 10 IKEE O=S(=O)(c1ccc(/N=C/c2c3ccccc3cc3ccccc23)cc1)N1CCCCC1 100041649 PEAKSWOVQXJHDY-ZXVVBBHZSA-N 428.557 5.918 30 10 IKEE CCCCCCCCCCCn1c(CCCNC(=O)C2CCCCC2)nc2ccccc21 101322551 VYVAWZJTESRBPQ-UHFFFAOYSA-N 439.688 7.196 30 10 IKEE COc1ccc(C/N=C\c2c(-c3ccccc3)nn(-c3nc4ccccc4s3)c2O)cc1 101456243 GRXOUUVCSLNEFI-QQXSKIMKSA-N 440.528 5.482 30 10 IKEE CCCCCCCCCCCn1c([C@H](C)Oc2ccc(Cl)c(C)c2)nc2ccccc21 102189909 RSTIIWFJDUZKRW-QFIPXVFZSA-N 441.059 8.669 30 10 IKEE COc1ccc(/C=C2/Oc3cc(OCc4ccc(F)cc4Cl)ccc3C2=O)cc1OC 103016809 FAELAHSSGMVGPG-AUEPDCJTSA-N 440.854 5.692 30 10 IKEE O=C(/C=C\Nc1ccc(Cc2ccc(N/C=C/C(=O)C(F)(F)F)cc2)cc1)C(F)(F)F 105917343 PTKAMJUYYYQHLO-DSOJMZEYSA-N 442.359 5.391 30 10 IKEE CSc1nnc(Cc2ccccc2)n1/N=C\c1ccc(OCCCc2ccccc2)cc1 169916102 YUHYFIVUDPBTLN-OOAXWGSJSA-N 442.588 5.485 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2c2ccccc2C)c1 169937105 JJZOZZLPFCNQND-XMMPIXPASA-N 443.499 5.104 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc(F)c(C)c2)=C(O)C(=O)N1c1cccc(C)c1C 169944222 WLLVKKDLSPARQG-DEOSSOPVSA-N 445.490 5.542 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2cccc(Cl)c2)c1 169970126 FOWXNQREDQMEKK-NRFANRHFSA-N 438.310 6.085 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2cccc(Cl)c2)c1 169970137 VCFNLLRNOZOSLK-OAQYLSRUSA-N 448.862 5.340 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cccc(C)c1 169970482 VSYZAUMMRMVXHT-XMMPIXPASA-N 427.500 5.403 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc([N+](=O)[O-])cc2)=C(N2C[C@@H](C)C[C@H](C)C2)C1=O 169979153 DMNHOSGJLVSHSR-OALUTQOASA-N 441.572 5.013 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCC2)cc1 170033871 NIRAKDZDSNMLSM-XMMPIXPASA-N 433.548 5.613 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccccc2)cc1 170049297 JNJUNCQXESDRBD-QHCPKHFHSA-N 445.946 6.420 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccc(F)cc2)c1 170060961 YJTMJXBNXJTPCE-JOCHJYFZSA-N 437.417 5.504 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1ccc(F)cc1)c1cccc(Cl)c1 170063931 KNXRMRLFTGXVEN-HXUWFJFHSA-N 443.808 5.540 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(N(CC)CC)cc1 170138705 OALQFEWPHYVFHC-VWLOTQADSA-N 446.591 5.400 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccccn2)c(C)c1 170175465 JBLBYBXKOXKCRZ-RUZDIDTESA-N 438.527 5.360 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccccc2)c(OC)c1 170225455 UWNLWBPYHJIEBP-XMMPIXPASA-N 443.499 5.104 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(F)cc1)c1ccc2ccccc2c1 170241782 NUZWDPYUBXOTGB-XMMPIXPASA-N 438.458 5.152 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(C(C)C)cc1 170245968 FHZVAJSPNLTPEG-XMMPIXPASA-N 435.564 5.896 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccccc2F)c1 170248640 GNZXUUHQOBIOOO-FYSMJZIKSA-N 443.474 5.240 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2F)cc1Cl 170251597 JZFGFIIPCSWJGC-NRFANRHFSA-N 443.902 5.399 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2ccccc2)cc1 170265550 JIQHRDHTZPLMAD-XMMPIXPASA-N 427.500 5.349 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C)o2)cc1C(C)C 170306958 INIXSEIMEUOBBL-HSZRJFAPSA-N 449.503 5.400 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(C)o2)c1 170310779 PDEYZDZKLZGOHB-FQEVSTJZSA-N 429.900 5.161 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(OC(C)=O)cc1 170320286 XNODENIQKRNHQE-XMMPIXPASA-N 443.499 5.144 30 10 IKEE CC1(C)[C@H](/C=C(\Cl)C(F)(F)F)[C@@H]1C(=O)O[C@H](C#N)c1ccc(Oc2ccccc2)cc1 231133510 DFVKOWFGNASVPK-HQMWCCLBSA-N 449.856 6.544 30 10 IKEE Clc1ccc(C=NNc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)c(Cl)c1 252598486 DBRLQGAIQIOXTM-UHFFFAOYSA-N 442.354 5.358 30 10 IKEE C=CCn1c(SCc2nc3cc([N+](=O)[O-])ccc3[nH]2)nnc1-c1ccc2ccccc2c1 253572051 PSKCUSIXKNFWIA-UHFFFAOYSA-N 442.504 5.361 30 10 IKEE CCCN1C(=O)/C(=C\c2cccc(Cl)c2Cl)SC1=Nc1cccc2ccccc12 254349769 MPRHKGIDUIXRRP-CXJFQJJYSA-N 441.383 7.161 30 10 IKEE COc1cc(/C=C2/SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc(OC)c1O 254407336 ILJZTQJFNMSQKP-QGJBXVFPSA-N 432.501 5.218 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)SC1=Nc1ccccc1 254493225 NCUQQABARUJCAN-ZNCAUEQNSA-N 426.541 6.056 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Br)ccc1C)NCCC 407716375 SVPXJLDKQBVOQK-UXHICEINSA-N 439.438 5.528 30 10 IKEE C=CCC[C@H](NC(=O)c1ccc(-c2ccccn2)nc1O)c1ccc(C(F)(F)F)cc1 441567187 OWAGAEQESCOETF-SFHVURJKSA-N 427.426 5.305 30 10 IKEE CCCCOc1cccc([C@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 526491475 NUYVUMWYJYYTMR-SANMLTNESA-N 438.527 6.103 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(F)cc2)cc1Cl 526491531 PKVVEZZYTJUBFN-QHCPKHFHSA-N 448.881 5.807 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(N(C)C)cc1 526708179 LYVZPWNZMLOFOD-QHCPKHFHSA-N 446.934 5.497 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1c(OC)ccc2ccccc12 526803157 SRLHPFMHLQWMJV-YSMPRRRNSA-N 434.540 5.706 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1ccc(OCC)c(Cl)c1 526806215 ZSAGXMLFPBFMRW-MYYYXRDXSA-N 443.016 6.156 30 10 IKEE Cc1cc(C)cc(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccc(F)cc2)c1 526810773 LILCGASBGCQBIZ-YUMHPJSZSA-N 430.552 5.799 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccc(OC(C)=O)cc1 526817558 YJZBGAIUFOKJFC-OYKKKHCWSA-N 442.972 5.374 30 10 IKEE COc1cc(C)c(C)cc1S(=O)(=O)N(Cc1cccc(C#N)c1)c1cccc(Cl)c1 586219172 ZKQWEBYQWCHDPA-UHFFFAOYSA-N 440.952 5.233 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)C1(C#N)CC(c2ccccc2)C1 698449988 BPJXEGILPROIHS-UHFFFAOYSA-N 427.342 6.031 30 10 IKEE C[C@H]1N(C(=O)OC(C)(C)C)CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 698862234 UVYDBQHVVNHMSE-WAIKUNEKSA-N 433.524 5.249 30 10 IKEE C=C(Cl)C[C@H](NCCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 710687768 IQDDUZGUZJMXIH-ZWKOTPCHSA-N 445.829 5.396 30 10 IKEE N#Cc1nc(/C=C\c2ccccc2)oc1NC[C@H](c1ccc(Cl)cc1)N1CCCCC1 1081077595 FIAPKYDADLZZIE-MGSLXVHVSA-N 432.955 6.009 30 10 IKEE CCC(=NNc1nc(SCC(=O)Nc2ccc([C@@H](C)CC)cc2)n[nH]1)c1ccccc1 1084420421 ZWGKKONVJOMBIT-INIZCTEOSA-N 436.585 5.275 30 10 IKEE C[C@@H](Oc1ccc(/C=C2/SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc1)C(=O)O 1084649720 XDMKMXGMKYAWSP-NWQALFOTSA-N 444.512 5.347 30 10 IKEE CC1(C)[C@H]2CC[C@]1(C)C(=N\OC(=O)c1ccc(Cl)cc1Cl)/C2=C/c1ccccc1 1088698731 VXPJUJCXTSWRAD-RTGXMBIWSA-N 428.359 7.046 30 10 IKEE C=CCC[C@H](NC(=O)N[C@@H](COC(=N)O)Cc1ccccc1)c1ccc(C(F)(F)F)cc1 1469492095 SIPMEJFZHLOOPQ-UXHICEINSA-N 449.473 5.133 30 10 IKEE O=C1NC(=NN=Cc2ccco2)S/C1=C\c1ccc(-c2c(Cl)cccc2Cl)o1 1772723914 CITYEBDFSKZRQJ-HHMOHRHOSA-N 432.288 5.440 30 10 IKEE C=CCOc1ccc(/C=C2\SC(=Nc3cccnc3Cl)N(c3ccccc3)C2=O)cc1 1772733798 OEZGSSVGOSZJKY-FWMAWXJYSA-N 447.947 6.108 30 10 IKEE Cc1ccc(-c2ccc(/C=C3/SC(=Nc4nc(C)cs4)N(C)C3=O)o2)c([N+](=O)[O-])c1 1772734590 NLLGWXWHJAYJNW-VGNVOPRMSA-N 440.506 5.162 30 10 IKEE O=C1NC(=NN=Cc2ccccc2OCc2ccccc2)S[C@@H]1Cc1ccc(Cl)cc1 1772742000 SNXWQPIVSQRGCZ-JOCHJYFZSA-N 449.963 5.083 30 10 IKEE CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)ON1C(=O)c2ccccc2C1=O 1772789680 DCBKZCIHNMDYLJ-UHFFFAOYSA-N 445.258 5.140 30 10 IKEE Cc1ccc(NC(=S)N/N=C\c2cn(-c3cccc(C)c3)nc2-c2ccc(F)cc2)cc1 1857809108 LMALMZNXCLAICQ-DICXZTSXSA-N 443.551 5.616 30 10 IKEE CCOc1cc(Nc2nc(C)cc(C)c2C#N)c(OCC)cc1NC(=O)c1ccccc1 1859831966 VTEWPAZHLVZJJS-UHFFFAOYSA-N 430.508 5.363 30 10 IKEE N#Cc1cccc(C(=O)Oc2ccc(C3CCN(C(=O)CCC4CCCCC4)CC3)cc2)c1 1860697698 WTRRUBPBBFCYFX-UHFFFAOYSA-N 444.575 5.844 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccccc1 1861053944 UKMMFCVPJOXNMD-QHCPKHFHSA-N 429.004 6.068 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 1861337097 AUMOLBCOPHNINM-FQEVSTJZSA-N 437.422 5.311 30 10 IKEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1 1861669151 WAYQDAZYCVTGKS-SFHVURJKSA-N 425.013 5.259 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(C)c(C)c1 1861837121 WORDNRAHXODIBU-AREMUKBSSA-N 436.640 5.901 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCc2ccccc2)cc1 1862429955 YONAVJOGWYEWIQ-QHCPKHFHSA-N 431.919 5.469 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccccc1Cl 1862432786 NAHWNGGXHWBUPR-MMACOIQUSA-N 444.358 6.150 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccc2cc[nH]c2c1)c1cccc(Cl)c1 1862445648 APYLUKJPTAIUKF-HSZRJFAPSA-N 448.950 6.122 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc(Cl)c1)c1cccc(Cl)c1 1862446708 YTNOBYKAGNLRRQ-FQEVSTJZSA-N 439.298 5.167 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C34CC5CC(CC(C5)C3)C4)[C@@H]2c2ccc(F)cc2)cc1 1862473511 CHGRTDYVZQGYBL-RZNVFEIWSA-N 445.534 5.681 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 1862476394 KDZZIALIEKIQJW-DEOSSOPVSA-N 435.564 5.942 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc3ccccc23)cc1 1862481017 UWSFJQOOPRGGJB-MHZLTWQESA-N 447.534 6.235 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1F)c1ccc2c(c1)CCCC2 1862545257 VQIOZEONPBCXNJ-VWLOTQADSA-N 441.502 5.483 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(C(F)(F)F)cc1 1862549920 AHOWXGWYWHTXIA-NRFANRHFSA-N 443.465 5.571 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2cccs2)cc1 1862593703 XCVIHMCCNHXBKI-QFIPXVFZSA-N 447.556 5.530 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)cc1 1862613769 PCBQLDOUAJDVGJ-DNVKUUNQSA-N 445.603 6.450 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862619528 XIOCUQTVNPYBIF-VFNWGFHPSA-N 436.508 5.269 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(F)cc1F)c1cccc2ccccc12 1862651679 XGSZEXYEDGUHMT-QHCPKHFHSA-N 445.421 5.490 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCCCO)[C@@H]1c1ccccc1Cl)c1cccc2ccccc12 1862651768 ALEMNSMJJWABIB-HSZRJFAPSA-N 449.934 5.234 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(F)cc2)cc1 1862663966 ZAYMUDPHGWYYLA-DEOSSOPVSA-N 447.481 5.867 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc3ccccc23)cc1 1862666476 FBHAOXORVHARFN-AREMUKBSSA-N 439.555 6.484 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862679145 WDXXYGBWZZQRKK-VWLOTQADSA-N 449.566 6.640 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2C2CCCCC2)c1 1862707223 QNUABEBXDQIWBP-XMMPIXPASA-N 449.547 5.395 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(Cl)cc3)C2=O)cc1C 1862792189 GXXTVXRDYNKSIP-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccccc3C(F)(F)F)C2=O)cc1 1862898101 WTFYWCMPLNQMEG-UHFFFAOYSA-N 447.416 5.282 30 10 IKEE CC(C)(C)c1ccc(NC2=C(c3ccccc3F)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862934323 PLKYMFZQCPEWQM-UHFFFAOYSA-N 439.490 5.391 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Br)cc2C(C)C)=C(c2ccc(C)cc2)C1=O 1863274148 LACGWAYUIYBLGN-UHFFFAOYSA-N 439.353 5.259 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Cl)cc2Cl)=C(c2ccc(OC(C)C)cc2)C1=O 1863358882 AJNISEZKGJVESS-UHFFFAOYSA-N 431.319 5.159 30 10 IKEE CCCCCCCCN1C(=O)C(NCCc2ccc(F)cc2)=C(c2ccc(F)cc2)C1=O 1863507843 IIBROMXQQVUMAP-UHFFFAOYSA-N 440.534 5.238 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2F)C(=O)N(Cc2ccncc2)C1=O 1863638610 FHXCJQPENDZWOQ-UHFFFAOYSA-N 437.559 5.231 30 10 IKEE N#Cc1c(NC(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)sc2c1CCCC2 1866451295 VVOVLCUBEGBBLT-UHFFFAOYSA-N 441.512 5.385 30 10 IKEE CC[C@@](C)(NC(=O)C[C@H](c1ccc(Cl)cc1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866753687 AVGXKYMLZUTTHD-XUZZJYLKSA-N 425.960 5.265 30 10 IKEE CC[C@](C)(NC(=O)[C@@H](c1ccc(Cl)cc1)C1CCCC1)C(=O)Nc1ccc(C#N)cc1 1867007053 DMXDVKUCTXUESW-RDGATRHJSA-N 437.971 5.409 30 10 IKEE CC(C)N1CCN(c2cc(Nc3ccccc3C#N)nc(C(C)(C)C)n2)c2ccccc21 1868349434 SKCXJRNWZPNPHR-UHFFFAOYSA-N 426.568 5.756 30 10 IKEE CCCCCCCCn1cc(OCC(=O)Nc2cc(C)c(Cl)cc2OC)c(=O)cc1C 1870089371 WSVJTVXENWUFRJ-UHFFFAOYSA-N 448.991 5.505 30 10 IKEE Cc1ccc(C(=O)Nc2c(C#N)nnn2Cc2c(Cl)ccc(Cl)c2Cl)cc1C 1870108103 PKWQYJRXCAGYKC-UHFFFAOYSA-N 434.714 5.027 30 10 IKEE CCCCCCCOc1cn(CCC(C)C)c(CN(CCCC)CCCCCC)cc1=O 1870410953 MVALLPIEDGMLGS-UHFFFAOYSA-N 448.736 7.426 30 10 IKEE CCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CN(CCCC)CCCC 1870610163 SXLKUNQKONIVLD-UHFFFAOYSA-N 432.693 6.956 30 10 IKEE C=CCn1cc(OCc2ccc(CC)cc2)c(=O)cc1CNc1ccc(N2CCCC2)cc1 1870890459 YFSQKGPKYVMWFE-UHFFFAOYSA-N 443.591 5.388 30 10 IKEE C=CCn1cc(OCc2c(F)cccc2Cl)c(=O)cc1CNc1cccc(Cl)c1 1871089345 GWRZBBPALYWORY-UHFFFAOYSA-N 433.310 5.671 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1cn(C)c4ccccc14)O3)CN([C@@H]1CCCC[C@H]1C)CO2 1871351129 LIIUMEFEDBVKIT-SJSVFJFWSA-N 442.559 5.834 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OC(=O)/C=C/c3ccc(C)cc3)cc(C)c2C1=O 1871366555 GFZADFKODWEBFF-MWIIGANGSA-N 426.468 5.547 30 10 IKEE Cc1cc(OC(=O)CCOc2ccccc2)cc2c1C(=O)/C(=C/c1ccc(N(C)C)cc1)O2 1871383406 JNNGWEDQQVQYNS-JLPGSUDCSA-N 443.499 5.052 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871408514 WXFXDDNKFMHJBA-VRHSPDTKSA-N 449.890 5.371 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[C@@H](C)CC)S(=O)(=O)CCCC 1872372407 SVSMQVVBWNGBAW-LPHOPBHVSA-N 448.551 5.067 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3cc(OC)ccc3OC)n2)cc1 1872762794 WSEXFABPRWXSRQ-NRFANRHFSA-N 434.561 5.589 30 10 IKEE COc1ccc(C)cc1-c1csc([C@@H](C#N)C(=O)COc2ccc(Cl)cc2Cl)n1 1872770633 AJALYVGBJRSRRF-HNNXBMFYSA-N 447.343 5.689 30 10 IKEE C=CCOc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2c[nH]c3ccccc23)cs1 1872776898 ADFBRYGJYDLVSD-QGZVFWFLSA-N 429.501 5.111 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)Cc2ccccc2[N+](=O)[O-])n1 1872777558 QLDBVBKBGBVDSE-SFHVURJKSA-N 449.532 5.443 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3cccc4ccccc34)n2)c(C)c1C 1872778990 YVYDZXRRYUWQOA-QFIPXVFZSA-N 426.541 6.008 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)cc3[N+](=O)[O-])n2)c1C 1872781455 UEBICZNPTCQFTM-KRWDZBQOSA-N 439.924 6.095 30 10 IKEE CCCCN(CCCC)CC(=O)[C@H](C#N)c1nc(-c2ccc(NC(C)=O)cc2)c(C)s1 1872797503 MEBMTYBEALWECZ-NRFANRHFSA-N 440.613 5.155 30 10 IKEE CCCCCCCCNC1=C(c2ccc(-c3ccccc3)cc2)C(=O)N(CCCOC)C1=O 1873088218 BNGNINZMPGFHIN-UHFFFAOYSA-N 448.607 5.420 30 10 IKEE CCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccc(CC)cc1 1874213001 PFSVNHSYLDEMLP-LFVJCYFKSA-N 428.989 5.500 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1sccc1C 1874252539 RKEGFJROAJSAAI-OEAKJJBVSA-N 426.611 5.518 30 10 IKEE Oc1ccccc1/C=N/n1c(CCc2cccs2)nnc1SCc1ccc(F)cc1 1874368750 QQLVAVYZSZAYDY-ZVHZXABRSA-N 438.553 5.144 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(-c2cccs2)n1/N=C/c1ccncc1 1874423003 PPCICTZPXQOAIL-FOKLQQMPSA-N 446.388 5.883 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C2CCCC2)c1OC 1874452552 AYWIFINMMKLADG-AFUMVMLFSA-N 440.544 5.267 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C(F)(F)F)c1 1874463443 JIZAMPKXJHOMBR-KTZMUZOWSA-N 444.841 5.278 30 10 IKEE CC(C)Cc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1cccc2ccccc12 1874488821 KUSYQWLWJCXMMI-WGOQTCKBSA-N 443.576 5.243 30 10 IKEE CCOc1ccc(/C=N/n2c(COC)nnc2SCc2cccc3ccccc23)cc1 1874502433 HTTJGTARIMIGSU-MFKUBSTISA-N 432.549 5.151 30 10 IKEE CCCOc1c(/C=N/n2c(CCC)nnc2SCc2ccccc2F)cccc1OC 1874507801 VVYKUCYAUQJVTG-MFKUBSTISA-N 442.560 5.342 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1cccc(OC)c1OC 1874508463 FCMRDJIHJGQUKR-WGOQTCKBSA-N 446.576 5.576 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccccc2Cl)c1OCc1ccc(F)cc1 1874574906 LBZSZLKIGPZYGA-DHZHZOJOSA-N 431.290 6.616 30 10 IKEE CCN(CC)C(=O)COc1c(/C=C/C(=O)c2cccc(Cl)c2)cc(Cl)cc1OC 1874577575 VGGWIGYQVJTGKP-MDZDMXLPSA-N 436.335 5.145 30 10 IKEE COc1cccc(/C=C/C(=O)c2cccc3ccccc23)c1OCc1ccc(Cl)cc1 1874583667 ZUDSSSRSYFFIJX-SAPNQHFASA-N 428.915 6.977 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)c1OCc1ccccc1F 1874590283 CHOZJVBZCSOWQN-JQIJEIRASA-N 432.535 6.915 30 10 IKEE C=C(C)COc1c(Br)cc(/C=C/C(=O)c2ccc(CCCC)cc2)cc1OC 1874607279 GHCQITAZCLVLEL-JLHYYAGUSA-N 443.381 6.651 30 10 IKEE C=C(C)COc1c(Cl)cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc1OC 1874624741 SYFFQERAAYIPOU-CSKARUKUSA-N 428.956 6.506 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(OC)c1OCc1cccc(C)c1 1874625296 WJWVCWXHVFQKOW-LFIBNONCSA-N 440.583 7.331 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(OC)c1OCc1cc(C)ccc1C 1874627812 XIRKYNFFEAMZBF-FMIVXFBMSA-N 448.509 6.794 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OCC(=O)N[C@H](C)c1ccccc1 1874632978 GACYUGFROQEXDA-QGFLDLQWSA-N 443.543 5.464 30 10 IKEE CCOc1cccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)c2)c1 1874693425 FGHNPQIAMBIHCX-DTQAZKPQSA-N 426.512 6.079 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3sccc3C)c2)cc1 1874695704 OUSMJZBLLNYPKG-UKTHLTGXSA-N 434.557 6.523 30 10 IKEE O=C(CCc1ccccc1)Oc1cccc(/C=C/C(=O)c2cccc(Br)c2)c1 1874697781 PNWDDAUZMYQOCC-WYMLVPIESA-N 435.317 5.883 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OC(=O)c1cccc([N+](=O)[O-])c1 1874699461 WLPXVQIGTYOGMR-CSKARUKUSA-N 437.835 5.372 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)C3(c4ccc5c(c4)OCO5)CC3)c2)cc1 1874701604 BBTQXEZHNBIPMP-YRNVUSSQSA-N 426.468 5.257 30 10 IKEE CCc1ccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3cc(C)cc(C)c3OC)c2)cc1 1874713126 HMRUKRYKYZUVCO-FYWRMAATSA-N 442.555 6.309 30 10 IKEE C=CCN(CC=C)CCC(=O)c1cccc(NC(=O)c2cccc(Oc3ccccc3)c2)c1 1874725040 JAUTYSKLKVLMCY-UHFFFAOYSA-N 440.543 5.978 30 10 IKEE Cc1cccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc4ccccc4c3)cc2)c1C 1875094807 JPIUJOPZVNZXAT-SFQUDFHCSA-N 436.507 6.337 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3)c(OC)c2)cc1 1875107719 GCQZNFMZHASRIR-LZYBPNLTSA-N 432.491 6.292 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OC(=O)CCc1ccccc1 1875126991 JQJKSUYUPZSBMQ-FYWRMAATSA-N 434.919 6.173 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)COCc3ccccc3)c([N+](=O)[O-])c2)ccc1F 1875142211 PTPVFUDVMPPASR-YRNVUSSQSA-N 449.434 5.061 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@H]2CCCO2)c(Cl)c1)c1ccc(Oc2ccccc2)cc1 1875165713 VGZAXLDEMNIWFO-WCLOKENTSA-N 448.902 6.113 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)c1ccc(C)c(C)c1 1875171727 KHMURLCNJIZESL-DHZHZOJOSA-N 444.527 6.053 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)c(C)c3)c([N+](=O)[O-])c2)c(C)c1 1875182899 AFQOYJQYHDNVCM-JXMROGBWSA-N 443.499 6.252 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2ccc(OC(=O)C3CCC3)c(Cl)c2)cc1Cl 1875186011 ZWSYYVOYKPAZSS-FNORWQNLSA-N 439.722 6.257 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3sccc3C)c(Cl)c2)cc1C 1875187619 DRDHEHPWIAQLBJ-FNORWQNLSA-N 440.948 6.451 30 10 IKEE N#C[C@@]1([C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCC(F)(F)C1 1875631640 ABSZRLQBTPKUDL-CLJLJLNGSA-N 449.497 6.207 30 10 IKEE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(C#N)ccc1C 1901483551 OZGLXLWSEOQWAL-DEOSSOPVSA-N 439.515 5.123 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc([C@](C)(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)c1 1912177774 HUCMMKLVAIFIMV-QFIPXVFZSA-N 444.536 5.710 30 10 IKEE C[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)CCN1Cc1ccccc1 1949368018 WRVZDNMEBHJGTQ-UQBPGWFLSA-N 439.987 6.028 30 10 IKEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 1999931177 MOHZKDJWHNNAQA-KOSHJBKYSA-N 429.561 5.357 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCCN(C(=O)OC(C)(C)C)C2)c1 2005382002 HDCXAJYFQDUDHB-DEOSSOPVSA-N 429.561 5.420 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@](C#N)(N(C(=O)OC(C)(C)C)C1CCCC1)C2 2037726602 BQLCUHAFFAHUIH-VWLOTQADSA-N 447.620 5.630 30 10 IKEE CC(C)[C@@H]1CC=C(C(=O)C2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)CC1 2061122610 QNJKWIBLVUEQSC-JOCHJYFZSA-N 440.628 5.498 30 10 IKEE Cc1ccc([C@H](C2CCC2)n2nc(C3CC3)c(C#N)c2I)c(F)c1 2079060697 LGJZMUOMPMXCFH-SFHVURJKSA-N 435.284 5.074 30 10 IKEE CC(C)(C)c1nn(Cc2ccc(C(F)(F)F)c(F)c2)c(C(F)(F)F)c1Br 2079139714 AJDULEOQRMJXAJ-UHFFFAOYSA-N 447.192 6.168 30 10 IKEE Cc1cc(C)c([C@H](C2CCC2)n2nc(C(F)(F)F)c(C#N)c2Br)c(C)c1 2079842719 AHGGTRYTPHRMPG-INIZCTEOSA-N 426.280 5.851 30 10 IKEE CCCc1ccc([C@H](n2nc(C3CCC3)c(C=NO)c2Br)C2(C)CC2)cc1 2079856402 RMXBOVPIDYBXJC-FQEVSTJZSA-N 430.390 6.063 30 10 IKEE CC[C@H](c1ccc(C(F)(F)F)cc1)n1nc(C2CCC2)c(C=NO)c1Br 2079877428 YCHOHXBZFFBAAF-OAHLLOKOSA-N 430.268 5.739 30 10 IKEE CC(C)[C@@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C2(C)CC2)c(C#N)c1Br 2080006391 QHAHRDZZWGMUEL-HNNXBMFYSA-N 444.270 5.972 30 10 IKEE Fc1ccc(-c2c(C3CCC3)nn(C(F)(F)F)c2Br)c(C(F)(F)F)c1 2080801381 FGAOTHQAHNZLIP-UHFFFAOYSA-N 431.149 6.214 30 10 IKEE CC(C)c1c(C(F)(F)F)nn2c(Cl)cc(-c3cc(C(F)(F)F)ccc3F)nc12 2081330827 WVFOUDBPHJAETG-UHFFFAOYSA-N 425.735 6.350 30 10 IKEE C=CCN(CC[C@@H](NCCC)c1cc(Br)ccc1F)C(=O)OC(C)(C)C 2099286752 BZSQNEISPOYFCK-GOSISDBHSA-N 429.374 5.442 30 10 IKEE C=CCC1(Nc2cc(Cl)c(Br)cc2N)CCN(C(=O)OC(C)(C)C)CC1 2106204250 SWINMJHUIRFNRK-UHFFFAOYSA-N 444.801 5.442 30 10 IKEE N#Cc1ccc(Nc2c(Cl)cc(Cl)cc2Br)c(F)c1Br 2203119022 DODAQAOKPCXJRZ-UHFFFAOYSA-N 438.909 6.273 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C1 2214838221 PKBPMTONTFRIDI-YGKZAACZSA-N 449.617 5.413 30 10 IKEE CCCC#C[C@H](NC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2218455870 GLBWEWVKEMBVDQ-LSYYVWMOSA-N 429.560 5.270 30 10 IKEE CCCCCCC[C@H](O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229108604 YTCLUYXUOZIHMK-MOPGFXCFSA-N 428.411 5.606 30 10 IKEE C=C(F)C[C@@H](NCCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229123936 PHVIYAYABWWJPO-QZTJIDSGSA-N 429.374 5.126 30 10 IKEE C=CCCCC[C@H](NC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229135583 VUEPTJDMHYYRQA-OALUTQOASA-N 425.411 5.219 30 10 IKEE CC[C@@H](CCNC(=O)OC(C)(C)C)CC[C@H](C#Cc1ccccc1Br)NC 2235731604 QTFDSWVYCBNSEC-IEBWSBKVSA-N 437.422 5.110 30 10 IKEE CN[C@@H](C#CC1CCCCC1)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2260990356 PKZKJHPGYMPAFJ-IGKIAQTJSA-N 440.628 5.002 30 10 IKEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CC[C@@H](C)C[C@H]1OCc1ccccc1 2262202783 AXQXPURPMFEDPM-FZBZCGEPSA-N 438.564 5.395 30 10 IKEE C=C(C)CCCC[C@@H](NCC)c1ccc(Br)cc1I 2271792387 UNUYUAXCHISVQJ-MRXNPFEDSA-N 436.175 5.841 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)c1c(Cl)cccc1Br 2275117697 CKXTUIIVRJKBIM-FQEVSTJZSA-N 439.733 5.408 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)C#Cc2ccccc2Cl)c1 2277853351 GBXPXYPSBYZQMI-UHFFFAOYSA-N 434.717 5.684 30 10 IKEE C=CCN(CC[C@@H](NCCC)c1ccc(C)c(Br)c1)C(=O)OC(C)(C)C 2278519276 SYNXHZGVYYFCGR-LJQANCHMSA-N 425.411 5.611 30 10 IKEE COc1cccc(COc2ccc3c(c2)OC(=Cc2c(Cl)cccc2Cl)C3=O)c1 2296865910 NIEVCZALFHGUEU-UHFFFAOYSA-N 427.283 6.197 30 10 IKEE O=C1NC(=Nc2cccc(Br)c2)C(=Cc2cc3ccccc3nc2O)S1 2297473193 XVFFHLLLTBPWGO-UHFFFAOYSA-N 426.295 5.230 30 10 IKEE C=CCOc1ccc(C=C2SC(=S)N(c3ccc(OCC)cc3)C2=O)cc1OCC 2297561308 XESBNQKJKJQELW-UHFFFAOYSA-N 441.574 5.455 30 10 IKEE CN[C@H](C#C[C@@H](OC)C1CCCC1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2303655012 VFNLHRCJYRRGLY-BJKOFHAPSA-N 428.617 5.001 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2)SC(=Nc2cccnc2Cl)N1C1CCCCC1 2314540251 MLMHTSSOEXJORT-UHFFFAOYSA-N 432.376 6.325 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc(Oc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)c1 2317252978 GBZDZCDROODXEO-UHFFFAOYSA-N 446.740 5.174 30 10 IKEE Cc1ccc(COc2ccccc2C=Nn2c(S)nnc2[C@H](C)c2ccccc2)cc1 2321962063 GCXVMKPSEVSPCG-LJQANCHMSA-N 428.561 5.488 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(C(C)C)cc1)O3)CN(Cc1cccs1)CO2 2321968156 JIXLHSBXQJKETI-UHFFFAOYSA-N 431.557 6.148 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc3c2CN(CCC2=CCCCC2)CO3)C1=O 2322106730 FFSKJBSBFVISBC-UHFFFAOYSA-N 431.532 5.744 30 10 IKEE Cc1c2c(cc3c1OC(=CC=Cc1ccccc1)C3=O)CN(Cc1ccccc1Cl)CO2 2322305614 OPFHAHOLBKTXHK-UHFFFAOYSA-N 443.930 6.173 30 10 IKEE CCCCCCCCCCN1COc2c(cc3c(c2C)OC(=Cc2ccccc2C)C3=O)C1 2322391151 VAORIFUMMBNCSV-UHFFFAOYSA-N 447.619 7.212 30 10 IKEE COc1cc(Br)cc(C=CC(=O)c2cccc(Br)c2)c1OC 2322466375 RQPPVZNUCNMJJY-UHFFFAOYSA-N 426.104 5.125 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccccc2OCC(=O)Nc2c(C)cccc2C)c1 2322659450 SJJCJXJPQRMORA-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE CCc1ccc(NC(=O)COc2ccccc2C=CC(=O)c2cc(OC)ccc2OC)cc1 2322659493 GCJLQACXROPDPE-UHFFFAOYSA-N 445.515 5.180 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(ccc(OC(=O)c4ccccc4)c3C)C2=O)cc1 2322667121 WZLCMAHCQCLRRK-UHFFFAOYSA-N 427.500 5.677 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cc(Cl)ccc2OCc2ccccc2)cc1C(C)C 2322799964 XDYAUUGKFQSFSM-UHFFFAOYSA-N 434.963 7.256 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OCc3nc(O)c4ccccc4n3)c2)cc1 2323157506 NATZNKGURQXYOM-UHFFFAOYSA-N 440.499 5.599 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(Cl)c(Cl)c2)C3=O)cc1C 2323247310 KPYLZLKBBLQNLU-UHFFFAOYSA-N 439.294 6.446 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OC(=O)c4ccc(Cl)cc4[N+](=O)[O-])c3C)C2=O)c1 2323283479 VSBKBJWTJLZRNB-UHFFFAOYSA-N 449.846 5.700 30 10 IKEE CCc1ccc(NC(=O)COc2cccc(C=CC(=O)c3c(C)cc(C)cc3C)c2)cc1 2323302815 BNXPYARFPGQFBU-UHFFFAOYSA-N 427.544 6.088 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)cc1C 2323561098 XJJJBQQJFSVFPZ-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE CC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)OC(=CC=Cc2ccccc2)C3=O)c1 2323900932 QNEWNDARCDWXPB-UHFFFAOYSA-N 440.451 5.312 30 10 IKEE C[C@H]1CCCCN1Cc1c(O)ccc2c1OC(=Cc1cccc(Br)c1)C2=O 2324010274 UTFSHDTZTSOLTD-AWEZNQCLSA-N 428.326 5.145 30 10 IKEE Cc1cc(O)c(CN2C[C@H](C)C[C@@H](C)C2)c2c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O2 2324055067 PHBJWYFOSQQUBW-QZTJIDSGSA-N 433.592 6.092 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OCc1cccc(C)c1 2324234578 PEYIMDULFFBYSH-UHFFFAOYSA-N 444.571 6.785 30 10 IKEE C=C(C)COc1ccc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc1Br 2324262482 WBZBTJBRNMPHET-UHFFFAOYSA-N 443.381 6.741 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccc(C)cc4)c3C)C2=O)cc1 2324378387 AUVNNUYKTAMFTP-IBGZPJMESA-N 427.500 5.634 30 10 IKEE Cc1cc(O[C@H](C)C(=O)Nc2ccccc2)cc2c1C(=O)C(=Cc1ccccc1Cl)O2 2324404201 GSYLDYSGDOWVEB-MRXNPFEDSA-N 433.891 5.671 30 10 IKEE Cc1c(OCCCOc2ccc(Cl)cc2)ccc2c1OC(=Cc1cccc(F)c1)C2=O 2324561104 QZOQMJHAXFJBHM-UHFFFAOYSA-N 438.882 6.252 30 10 IKEE Cc1ccccc1COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1Cl 2324653655 BEWIOEDJXLWETE-UHFFFAOYSA-N 431.746 7.430 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2OC)ccc1OCc1ccc(C)cc1 2324706546 YKZAQLPIHWHWKJ-UHFFFAOYSA-N 436.935 6.531 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)C=Cc2ccc(F)cc2)n1 2324781144 CGRYBIGLNBWITI-SFHVURJKSA-N 426.900 5.809 30 10 IKEE CCc1ccc(NC(=O)[C@@H](CC)Oc2cc(C)c3c(c2)OC(=Cc2cccs2)C3=O)cc1 2324816948 CGPRNHMFURJXFA-OAQYLSRUSA-N 447.556 6.031 30 10 IKEE O=C1C(=Cc2ccccc2F)Oc2cc(OCc3cccc(Oc4ccccc4)c3)ccc21 2325345547 HGXHGVPBCQLXIM-UHFFFAOYSA-N 438.454 6.813 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2)cc1OC(=O)COc1ccc(Cl)c(C)c1 2325731218 JQHNECCVTWYCGG-UHFFFAOYSA-N 436.891 5.538 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1N=Cc1cc(Cl)c(O)c(Cl)c1 2326272475 SMCQBGSJYFNJPG-UHFFFAOYSA-N 439.343 5.557 30 10 IKEE CCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1ccc(C(=O)O)cc1 2326331578 ONYNHTKRZKZRIR-UHFFFAOYSA-N 436.581 5.401 30 10 IKEE CCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1ccc(Br)cc1 2326412554 XQWIKFZFBYVKNP-UHFFFAOYSA-N 429.387 5.394 30 10 IKEE CCOc1ccc(C=Nn2c(CC)nnc2SCc2ccc(Br)cc2)cc1 2326618344 AYXDSNDNBOAXAJ-UHFFFAOYSA-N 445.386 5.176 30 10 IKEE CCOc1cccc(C=Nn2c(CC)nnc2SCc2ccc(Br)cc2)c1 2326619122 LRVRYPRJLJUTAK-UHFFFAOYSA-N 445.386 5.176 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2C)n1N=Cc1ccccc1Cl 2327089861 YGUVYCNJLNKUBO-UHFFFAOYSA-N 441.000 5.802 30 10 IKEE Clc1ccccc1CCc1nnc(SCCc2ccccc2)n1N=Cc1ccncc1 2327966625 WSWQVTBWLYBTBC-UHFFFAOYSA-N 447.995 5.329 30 10 IKEE Clc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2N=Cc2ccc[nH]2)cc1 2329141740 ARHAHPWWTQWXFQ-UHFFFAOYSA-N 442.375 5.678 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2ccccc2C)cc1 2329277874 FZGVDQONPQRNMZ-UHFFFAOYSA-N 428.561 5.360 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2)n1N=Cc1ccccc1O 2329486403 ZCHCLFDJQCKTHA-UHFFFAOYSA-N 428.561 5.252 30 10 IKEE CCc1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2[C@H](C)c2ccccc2)cc1 2330063723 HQVGJZGZWHNDQT-LJQANCHMSA-N 444.579 6.306 30 10 IKEE Cc1cccc(OCC(=O)Oc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1C 2330621401 HXBMDRMDBRNXHP-UHFFFAOYSA-N 431.444 5.092 30 10 IKEE O=C(O)c1ccccc1C=Nn1c(SCc2ccccc2Cl)nnc1-c1ccccc1 2330674711 OALDTEIIKBHAJA-UHFFFAOYSA-N 448.935 5.471 30 10 IKEE O=C(Cc1ccccc1)Oc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1[N+](=O)[O-] 2330684904 GQCBBUMRIOQTCM-UHFFFAOYSA-N 441.483 5.518 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2F)n1N=Cc1ccc(C(C)(C)C)cc1 2330845719 XLMLHKJRTLMMPY-UHFFFAOYSA-N 438.616 6.478 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccc(C)c(C)c3)cc2)cc1C 2330855768 VGBGJZOTWXXSLM-UHFFFAOYSA-N 430.500 5.501 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c(C)c2)cc1OC 2330881109 USDYMXYRABGMPH-UHFFFAOYSA-N 438.564 6.564 30 10 IKEE C[C@H](C(=O)Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1Cl)c1ccccc1 2330919381 IZICUFMXFGSDEK-INIZCTEOSA-N 425.311 6.599 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCc3ccccc3)nnc2[C@@H]2CCCO2)cc1 2330954848 KSFVIMHXRYRPEL-QFIPXVFZSA-N 435.597 5.150 30 10 IKEE CCOc1cc(C=Nn2c(SC)nnc2C2CCCC2)ccc1OCc1ccccc1 2331017150 VJRDGOVEWHCELM-UHFFFAOYSA-N 436.581 5.518 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)Cc1ccc(F)c(C)c1 2331080290 ACBAKYWXGHDOLV-UHFFFAOYSA-N 434.463 5.196 30 10 IKEE O=C(CCOc1ccccc1)Oc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1Cl 2331123416 SFQKNBZAJSGGMS-UHFFFAOYSA-N 441.310 6.264 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)c([N+](=O)[O-])c1)c1ccccc1 2331174147 ZOTRWDIECRTBBP-UXHICEINSA-N 447.874 5.853 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccn3)c(Br)c2)c(C)c1 2331224722 GSLLVDDOIMIJET-UHFFFAOYSA-N 436.305 5.576 30 10 IKEE C=C(C)CSc1nnc(CCOC)n1N=Cc1ccc(N(CC)Cc2ccccc2)cc1 2331279565 PORGRSDQQOZVJI-UHFFFAOYSA-N 449.624 5.044 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2[N+](=O)[O-])cc1 2331322617 TXCFCNOGZYKOHS-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE CCc1ccc(C=Nn2c(CC(C)C)nnc2SCC(=O)Nc2ccc(CC)cc2)cc1 2331437857 JLRQYBJELFQMQA-UHFFFAOYSA-N 449.624 5.214 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C(C)C)c(OC)cc3C)cc2)cc1 2331573748 JEHSLZYUUDYPKS-UHFFFAOYSA-N 442.555 6.805 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OC(=O)C3CCC3)c(Br)c2)c1C 2331646898 BFSDTDWZWKYDHW-UHFFFAOYSA-N 441.365 6.284 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)C(C)(C)C)c(Br)c1 2331664852 GXIZWWBQWYTQDR-UHFFFAOYSA-N 445.353 5.922 30 10 IKEE CCCCOc1ccc(C=NNc2oc(-c3ccc(Br)o3)nc2C#N)cc1 2331936467 GXRJTZCCKFONAD-UHFFFAOYSA-N 429.274 5.194 30 10 IKEE CCN[C@@H](C#Cc1cccs1)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2338251472 ZZORWEQVWJEXNU-KRWDZBQOSA-N 435.387 5.560 30 10 IKEE COc1cc(Sc2cc(I)ccc2Br)ccc1C#N 2338301176 OAPDHPQFWSSZKE-UHFFFAOYSA-N 446.107 5.085 30 10 IKEE CC(C)(C)OC(=O)N[C@H](COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C(C)(C)C 2339577001 NZPYUQIILVEIKJ-KAUXGEHWSA-N 446.397 5.044 30 10 IKEE CC1(C)OB(/C=C/c2ccc(Oc3cc(Cl)cc(Br)c3)nc2)OC1(C)C 2365129925 ONRARQPRKPAXLE-BQYQJAHWSA-N 436.542 5.934 30 10 IKEE C=C(C)COc1ccc(/C=C2/N=C(c3cccc(Br)c3)OC2=O)cc1OCC 668377 HLSWMJHZZOXFEW-VCHYOVAHSA-N 442.309 5.147 30 10 IKEE CCN(CC)c1ccc(/C=C2\CN(C)C/C(=C\c3ccc(N(CC)CC)cc3)C2=O)cc1 5446255 CSZGWTIIEDCAOM-SIHVKLMXSA-N 431.624 5.361 30 10 IKEE N#Cc1ccc(-c2ccc(Cl)cc2)nc1SCC(=O)c1cc2ccccc2oc1=O 8952095 DSVSOYJJQDLSFF-UHFFFAOYSA-N 432.888 5.355 30 10 IKEE CCc1ccccc1N/C=C1/C(=O)c2sccc2N(Cc2ccc(C)cc2)S1(=O)=O 20575712 FHUUYNQOKCRINH-STZFKDTASA-N 438.574 5.105 30 10 IKEE CC(C)Oc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(C(F)(F)F)cc2)cc1 21224349 CFLTXRGVFVGTFV-FXAWDEMLSA-N 443.465 5.497 30 10 IKEE CC(C)Oc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc3ccccc23)cc1 21225099 ZJBMQWPPZOSTMW-HYBUGGRVSA-N 425.528 5.631 30 10 IKEE COc1ccc(OC)c([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)c1 21251565 XVDKIPSPRWOPMI-SGANQWHYSA-N 432.545 5.745 30 10 IKEE CCn1nc(C)c(CN/C(=N/C(=O)c2ccc(C)c(C)c2)Nc2ccc(C(C)C)cc2)c1C 32971764 KJBBWYZGGHQZOW-UHFFFAOYSA-N 445.611 5.658 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)/C=C\c3ccccc3)[C@@H]2c2ccccc2[N+](=O)[O-])c1 33414460 HWDIOQVTFRUWJI-XYSUMVETSA-N 440.455 5.086 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2Cl)C3=O)cc1 33811996 XGDZYNSEGZSELY-FBHDLOMBSA-N 425.267 6.137 30 10 IKEE Cc1ccsc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(CCCc1ccccc1)C3 41649912 DEKTZUXNRGRVRB-HMAPJEAMSA-N 431.557 5.766 30 10 IKEE N#Cc1ccccc1NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1 59794655 DKRRWFBXKVKUPN-UHFFFAOYSA-N 445.935 5.190 30 10 IKEE C#CCN(C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C 72316998 ADCBAOTWERXLAP-UHFFFAOYSA-N 443.635 5.315 30 10 IKEE in-vitro CCOc1cc(/C=C2\S/C(=N\c3cccc4ccccc34)NC2=O)ccc1OC(C)=O 96576874 NUZZFSGDPCXNQZ-HMAPJEAMSA-N 432.501 5.055 30 10 IKEE CCCCCCCCCCCCCCCCNCC(=O)Nc1ccccc1OCC(C)C 100055723 NDRTZRFTANKXQD-UHFFFAOYSA-N 446.720 7.731 30 10 IKEE CCCCCCCCCCCCCCCCNC(=S)NC(=O)CCC1CCCCC1 100141743 ZOGRDERJCLVQMH-UHFFFAOYSA-N 438.766 7.819 30 10 IKEE CCCCCCCCNC(=O)[C@@H]1CCc2sc(NC(=O)c3ccc(Cl)cc3)nc21 103010388 OFEAIJVZJPRYLJ-QGZVFWFLSA-N 434.005 5.555 30 10 IKEE Cc1ccc(CN2c3ccccc3C(=O)/C(=C/Nc3cc(C)ccc3C)S2(=O)=O)cc1 105285787 FMXTUEWLEWHGNM-IWIPYMOSSA-N 432.545 5.098 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(OC)cc2)c1 169925283 TXEJICUNJFTKOB-XMMPIXPASA-N 443.499 5.185 30 10 IKEE COc1cccc(/C=N\Nc2nc(-c3ccc(C)c(C)c3)cs2)c1OCc1ccccc1 169940790 FOVGSOKCOGGHNP-DICXZTSXSA-N 443.572 6.461 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccc(O)cc2)cc1C 169961273 RHYPZHJQKQPJCL-JOCHJYFZSA-N 433.891 5.445 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@@H]2c2cccnc2)c1 170003348 RTVFMMRURALBRF-XMMPIXPASA-N 440.543 5.779 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccncc1 170019211 LHQVAOGWIJDXAQ-QFIPXVFZSA-N 443.890 5.308 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccncc2)cc1Cl 170021448 XFXTYQRUBDKVQB-QFIPXVFZSA-N 443.890 5.308 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2c2ccccc2)c1 170036279 OQISRXJJQRNPQX-DEOSSOPVSA-N 427.500 5.431 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccc(O)cc1)c1ccc2ccccc2c1 170131405 VYRULKUPNOVJHX-DEOSSOPVSA-N 439.442 5.467 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@@H]1c1cccs1 170165534 PLVIZMFJCNYFIS-NRFANRHFSA-N 427.566 5.551 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)c(Cl)cc2OC)[C@@H]1c1cccs1 170165561 KFFXECJXZHIHIJ-IBGZPJMESA-N 449.956 5.187 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccn2)ccc1Cl 170176151 ARVAPDLBCPQBNC-JOCHJYFZSA-N 448.906 5.225 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccnc2)cc1C 170185711 SHJDPLSXCGRNRQ-DEOSSOPVSA-N 442.515 5.270 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccccc1 170231050 PZLCIFCXABQXBM-DEOSSOPVSA-N 440.543 5.466 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2F)c1 170248104 YRRIVCAMWYGPJW-QFIPXVFZSA-N 435.426 5.146 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@H]1c1c[nH]c2ccccc12 170255591 CAKZLBBUSGPWAC-OAQYLSRUSA-N 438.911 5.208 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@H]1c1ccccc1C 170276904 YJWCDBOXVPKSCN-HXUWFJFHSA-N 427.928 5.344 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1CCCOC(C)C 170278040 DUWZDXMFGQGRMG-RUZDIDTESA-N 447.575 5.267 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccco2)c1 170285538 FZRBOPPUUIOMIW-QHCPKHFHSA-N 431.488 5.467 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1c1cccc(F)c1 170313571 JAAMGMOESUANHG-SFHVURJKSA-N 427.884 5.632 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1sccc1C 170315414 CTBMUBLFPVJPFZ-QFIPXVFZSA-N 447.556 5.935 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2sccc2C)ccc1Cl 170317397 PNNJPFSANSSAJW-LJQANCHMSA-N 445.968 5.630 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 170454928 KFEIYOBSOJSVJG-XMMPIXPASA-N 438.543 5.183 30 10 IKEE CCC[C@@H]1S/C(=N/N=C/c2ccc(C)cc2C)N(Cc2cccc3ccccc23)C1=O 229294930 XFDTZFCNPVJKED-LNQFRNKWSA-N 429.589 6.091 30 10 IKEE N#Cc1c(N=Cc2cccc(Br)c2)oc(-c2ccccc2)c1-c1ccccc1 252603915 FULZOGCXGAKRCN-UHFFFAOYSA-N 427.301 6.998 30 10 IKEE C[C@@H]1CC[C@]2(/N=C/c3ccccc3O)Oc3ccccc3[C@@H](/N=C/c3ccccc3O)[C@H]2C1 253571392 OWYKDRRRWCDWCE-DAJPNKNVSA-N 440.543 5.902 30 10 IKEE CC[C@H](CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3C[C@H](O)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 256434192 IWNCBADONFSAAW-IKPVHLQLSA-N 428.701 7.204 30 10 IKEE endogenous,in-man Cc1c([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c2ccccc2n1C 526488642 KXLWYGOXRVYFPL-RUZDIDTESA-N 437.474 5.555 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1/N=C\c1ccc(Cl)cc1Cl 526803577 AWYRHKGVIMCGDH-MSXFZWOLSA-N 437.371 6.241 30 10 IKEE CCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1ccccc1OCc1ccccc1 526804065 DVWQNOMBKLZRPA-PKAZHMFMSA-N 442.588 5.902 30 10 IKEE CCOc1c(Cl)cc(/C=N\n2c(C)nnc2SCc2cccc(C)c2)cc1Cl 526808251 QABABJSPSISEET-KSEXSDGBSA-N 435.380 5.775 30 10 IKEE COc1ccc(/C=N\n2c(C)nnc2SCc2cccc(Cl)c2)c(Cl)c1OC 526811470 LRVSZIBMSANBSJ-YVNNLAQVSA-N 437.352 5.085 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccc(Cl)c(Cl)c1 526817840 ZXZYPKKBGOFZEK-AQHIEDMUSA-N 443.762 6.114 30 10 IKEE N#C[C@H](C(=O)c1scc(Br)c1Br)c1cccc(Cl)c1F 705455621 GDXLPCQNZJGSMJ-ZETCQYMHSA-N 437.515 5.556 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H]2CC[C@](C#N)(N(C(=O)OC(C)(C)C)c3ccccc3)[C@H]1C2 721747197 MYQIDFXQPYIDEQ-RQBNJVACSA-N 441.572 5.500 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)c(F)c1)NCCC 721962471 ODAQRTWJOGHXNV-MOPGFXCFSA-N 443.401 5.358 30 10 IKEE COc1ccccc1NC(=O)CSc1nc2ccc(N=Cc3ccccc3O)cc2s1 1084241160 GMMUHMOIRZTXOP-UHFFFAOYSA-N 449.557 5.492 30 10 IKEE COc1cc(C=NNc2nc3ccccc3s2)ccc1OCc1cccc2ccccc12 1084538812 ARLMYCKPDMCXJD-UHFFFAOYSA-N 439.540 6.483 30 10 IKEE Cc1ccc(C=Nc2cc3c4c(c2)[C@@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)cc1 1084627567 PTPQCPAIVCLWCS-FQLXRVMXSA-N 442.606 7.623 30 10 IKEE CCCCCCCCCCCCNC(=O)CCCCCCCC/C=C/C(F)(F)Cl 1616046566 RVPKOSXMGOSPJY-DYTRJAOYSA-N 436.071 8.532 30 10 IKEE C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1705721600 LQJCSSXQJQSLRF-SFHVURJKSA-N 448.596 5.133 30 10 IKEE C/C(C=NN=C1S/C(=C\c2ccc(O)cc2)C(=O)N1Cc1ccco1)=C\c1ccccc1 1772759483 RYZFYQVDBCMFPR-BCUWXCOBSA-N 443.528 5.547 30 10 IKEE Cc1cc(Br)ccc1NC(=O)Nc1ncccc1OCc1ccc(C#N)cc1 1858865276 AUVQOVQNAKXXSU-UHFFFAOYSA-N 437.297 5.247 30 10 IKEE N#Cc1ccccc1NC(=O)Oc1ccc(CNC(=O)c2cc(Cl)cc(Cl)c2)cc1 1858911543 UJWGUBPUVBSAGQ-UHFFFAOYSA-N 440.286 5.406 30 10 IKEE N#Cc1ccccc1NC(=O)c1cc(-c2cc(Cl)ccc2Cl)n(-c2ccccn2)n1 1859389546 XRCNBNVQDBZMLK-UHFFFAOYSA-N 434.286 5.365 30 10 IKEE CCc1nc2cc(C(=O)Nc3sc4c(c3C#N)CCCC4)ccc2n1C1CCCCC1 1859759803 POXFIZIKIPVJSM-UHFFFAOYSA-N 432.593 6.168 30 10 IKEE O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(c1ccc(F)cc1)C1CCOCC1 1859949082 UZTUMBOGBNMIHN-UHFFFAOYSA-N 435.339 5.689 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)Cc1cc(OC)ccc1Cl 1860977915 FIIAMKVFQVDBMH-XMMPIXPASA-N 439.040 5.433 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccccc1Cl 1862380657 INOBSKKBFPPVLY-SFHVURJKSA-N 438.738 6.025 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2cccc(Cl)c2)cc1 1862392049 OUBJJYYNLGSTBP-QFIPXVFZSA-N 425.956 5.917 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2cccc(C)c2)cc1C 1862400681 KBSQQDGRXDVOGP-XVWGUNQUSA-N 433.548 5.469 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 1862433120 VIHAWOHAOIEBKP-PGRDOPGGSA-N 439.939 5.221 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(Cl)cc1Cl 1862443663 NWMUBZNJDPJNLH-SFHVURJKSA-N 438.738 5.881 30 10 IKEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(C)cc2)cc1 1862475239 HJNIRMNTLPPVRF-UQBPGWFLSA-N 441.527 5.652 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc(Cl)cc2Cl)c1 1862498636 MQVMENCMFZGBRB-FQEVSTJZSA-N 432.347 5.845 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccc(F)cc2)cc1 1862501852 LWJHEFKRADZJIX-HSZRJFAPSA-N 433.454 5.360 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2cccc3ccccc23)cc1 1862518858 VRWGTGUENQWVBZ-AVRWGWEMSA-N 443.543 6.005 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@H]2c2ccccc2C)cc1 1862533319 LJFDSPUSGZVOAT-SANMLTNESA-N 439.555 5.687 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1 1862580789 RSXOZNHTZDPFHB-YFZFPPMRSA-N 444.358 6.150 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cccc2ccccc12)c1cccc(O)c1 1862592558 FRRJMEOISLESAN-DEOSSOPVSA-N 427.500 5.456 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)c1 1862596752 OLKZKTKQFCQYKK-OZWPHOJSSA-N 449.547 5.338 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2cccc(O)c2)cc1 1862613817 QOZHEMFESCEACC-XMMPIXPASA-N 447.575 5.991 30 10 IKEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(Cl)cc1Cl 1862667515 DEWDMHPBPAGLEK-HXUWFJFHSA-N 448.346 5.342 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CC(C)C)cc1OC 1862668644 DIMLTBKHEXMBIJ-HSZRJFAPSA-N 437.536 5.062 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C2CCCC2)cc1 1862679262 BDODMEWDSMHHHE-HSZRJFAPSA-N 436.527 5.193 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1cccc(O)c1)c1ccc2ccccc2c1 1862712986 FGYOBDBIGWXFMU-AREMUKBSSA-N 449.506 5.366 30 10 IKEE CCc1ccc(NC2=C(c3ccccc3Cl)C(=O)N(c3ccccc3C#N)C2=O)cc1 1863083888 XEZSNUDQHQDPPA-UHFFFAOYSA-N 427.891 5.171 30 10 IKEE N#Cc1ccccc1NC1=C(c2cccs2)C(=O)N(c2cccc(C(F)(F)F)c2)C1=O 1863102712 NYVUWEABGHTWNB-UHFFFAOYSA-N 439.418 5.035 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C)c2C)=C(c2c[nH]c3ccccc23)C1=O 1863488956 GVRRYDLQSKUMJE-UHFFFAOYSA-N 443.591 6.337 30 10 IKEE CCCCCCCCNC1=C(c2ccc(F)cc2F)C(=O)N(CCc2cccs2)C1=O 1863662087 ZDEJMNLRRFFUIO-UHFFFAOYSA-N 446.563 5.299 30 10 IKEE CCCCCCCCNC1=C(c2cccs2)C(=O)N(Cc2ccc(Cl)cc2)C1=O 1863797995 IFWPDGQHGXCQSO-UHFFFAOYSA-N 431.001 5.632 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 1866030097 YVXSAGCVACFOOH-UHFFFAOYSA-N 439.040 8.448 30 10 IKEE CCCC[C@H](NC(=O)[C@@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866963699 MMWKHCBWXYLVHS-LOSJGSFVSA-N 433.596 5.735 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC[C@H]2C(=O)c2ccc(OC)c(C)c2)nc(C(C)(C)C)n1 1869181440 JHUZWQGPBCTMRX-NRFANRHFSA-N 448.611 5.121 30 10 IKEE CCCCCCCCn1cc(OCCO)c(=O)cc1CNc1ccc(CCCC)cc1 1870790053 KLUSZPKTFJLPTK-UHFFFAOYSA-N 428.617 5.535 30 10 IKEE C=CCn1cc(OCCCCOc2ccc(C)cc2)c(=O)cc1CNc1ccc(CC)cc1 1871226005 GSTQYQXIDZBDIV-UHFFFAOYSA-N 446.591 5.755 30 10 IKEE C=CCn1cc(OCc2ccccc2F)c(=O)cc1CNc1ccc(OC(F)(F)F)cc1 1871244233 KJLMPKJHKNVBCR-UHFFFAOYSA-N 448.416 5.263 30 10 IKEE Cc1c(OC(=O)c2ccc(OCC(C)C)cc2)ccc2c1O/C(=C\c1cccc(F)c1)C2=O 1871382795 FXGPOLSKHABFEC-OYKKKHCWSA-N 446.474 6.004 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2OC)C3=O)c1 1871387299 NOOCBYSKVNOXRN-HAHDFKILSA-N 430.456 5.238 30 10 IKEE Cc1cc(OCCOc2ccccc2)cc2c1C(=O)/C(=C/c1ccc(Cl)c(Cl)c1)O2 1871397302 KXZHVDMUTXDYFG-XKZIYDEJSA-N 441.310 6.376 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1Cl 1871456994 IQFDLSBMHMHHCC-KSEXSDGBSA-N 447.918 5.899 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccc(C)c(Cl)c4)c3C)C2=O)cc1 1871457102 PFUPEXUPTQKWEZ-FMCGGJTJSA-N 447.918 5.899 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(Nc2ccccc2)cc1)C(C)C)S(=O)(=O)CCCC 1872144085 DKQQAJIBLGSKBJ-QHCPKHFHSA-N 443.613 5.011 30 10 IKEE Cc1sc(C2=C(N)N(c3ccc(OCC(C)C)cc3)CC2=O)nc1-c1ccc(F)cc1 1872726145 MILYWIFCIKKXMS-UHFFFAOYSA-N 437.540 5.009 30 10 IKEE COc1ccccc1-c1csc([C@H](C#N)C(=O)/C=C/c2ccc(Cl)cc2Cl)n1 1872763717 SJSXIDFVWRQWLO-MNDMWVCDSA-N 429.328 6.015 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(Cl)c(Cl)c3)n2)cc1 1872770449 UUKDFVJZYFPHEC-QGZVFWFLSA-N 445.371 6.325 30 10 IKEE CC(C)Oc1ccc(/C=C(/C(=O)[C@H](C#N)c2nc(C(C)C)cs2)c2ccccc2)cc1 1872774074 GSQFGRROCPPHCR-DZSAKIAFSA-N 430.573 6.471 30 10 IKEE N#C[C@H](C(=O)c1cccc(Br)c1)c1nc(-c2cccc3ccccc23)cs1 1872774722 AFGIYSBJNNAMMP-LJQANCHMSA-N 433.330 6.216 30 10 IKEE N#C[C@@H](C(=O)CCCOc1ccccc1)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872787286 GHYCJLSTJYTKGW-KRWDZBQOSA-N 431.344 6.152 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(C)ccc2C)=C(c2cc(F)cc(F)c2)C1=O 1873318520 VLDQITKHZSZDQY-UHFFFAOYSA-N 440.534 6.134 30 10 IKEE N#Cc1nc([C@@H]2C[C@@H]2c2ccccc2)oc1N/N=C/c1ccccc1OCc1ccccc1 1873471047 VHQSYICHHYRWDB-UEPQKOGYSA-N 434.499 5.842 30 10 IKEE CCCCCCCCN=c1nc2c(cnn2-c2ccccc2)c(Nc2cccc(O)c2)[nH]1 1873478002 GYLZJCNOBSWBQT-UHFFFAOYSA-N 430.556 5.459 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(Nc3ccccc3)cc1)n2CCC 1873612593 CVYBIXKFJFSTDC-UHFFFAOYSA-N 426.524 5.435 30 10 IKEE CCCCCCCCNC(=O)[C@H]1c2ccccc2C(=O)N(Cc2ccco2)C12CCCC2 1873886072 GAVRVCSQEKPKDR-XMMPIXPASA-N 436.596 5.809 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CCCOc2ccc(CC)cc2)nnc1SC 1874223325 GBUKDBFJVDUEBM-XIEYBQDHSA-N 436.581 5.021 30 10 IKEE O=[N+]([O-])c1ccccc1Cc1nnc(SCc2ccccc2)n1/N=C/c1cccs1 1874296974 DQVHKDGUUGWXAK-HYARGMPZSA-N 435.534 5.013 30 10 IKEE CCCSc1nnc(COc2cccc(C)c2C)n1/N=C/c1ccc(Cl)cc1Cl 1874324534 PQLUEDLPSFUGMB-WYMPLXKRSA-N 449.407 6.165 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1cccc(Cl)c1 1874327645 VNZSZZFVMHVKPV-WYMPLXKRSA-N 426.973 5.678 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccc(F)cc3)n2/N=C/c2cccn2C)cc1C 1874330044 IECKUHHIKSFAMP-JVWAILMASA-N 447.583 5.332 30 10 IKEE Cc1ccc(CCc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccc[nH]2)cc1C 1874331027 QLTSTURIJMTISR-JFLMPSFJSA-N 433.556 5.322 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2Cl)c1 1874367267 UMBYTJMOMGWCIG-AFUMVMLFSA-N 434.952 5.787 30 10 IKEE CCCCOc1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SC)cc1OCC 1874373048 FISKJGXGQRLNMO-PCLIKHOPSA-N 442.560 5.190 30 10 IKEE O=C(O)c1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2)nnc1C1CCCC1 1874456188 FQBZRHVIIQZNEY-ZMOGYAJESA-N 440.956 5.462 30 10 IKEE CCOc1cc(/C=N/n2c(SCCc3ccccc3)nnc2C2CCCC2)ccc1O 1874457281 JOBHDBPNNURGDR-KOEQRZSOSA-N 436.581 5.257 30 10 IKEE CSc1nnc(C(F)(F)F)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874459042 UKCXZEDMZUUVCU-AUEPDCJTSA-N 426.851 5.133 30 10 IKEE CC(C)Cc1nnc(SCc2ccccc2Cl)n1/N=C/c1cccc([N+](=O)[O-])c1 1874489715 GTKZZSYOSNSONA-WSDLNYQXSA-N 429.933 5.213 30 10 IKEE O=C(O)c1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2)nnc1C1CCC1 1874496835 HCMSYRWZPCQFEQ-FSJBWODESA-N 426.929 5.072 30 10 IKEE Cc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(Cl)c(Cl)c1 1874534853 FCFGAJUXIBZNKJ-GZIVZEMBSA-N 429.735 5.860 30 10 IKEE O=C(/C=C/c1c(OCCc2ccccc2)ccc2ccccc12)c1ccc2c(c1)CCCC2 1874571997 RARFPFUFBDRXIQ-ISLYRVAYSA-N 432.563 7.236 30 10 IKEE Cc1cccc(COc2ccc(Cl)cc2/C=C/C(=O)c2cccc(Br)c2)c1 1874575886 LZQOAUVVBWFJCB-CSKARUKUSA-N 441.752 6.886 30 10 IKEE Cc1cccc(COc2ccc(Br)cc2/C=C/C(=O)c2ccc(Cl)cc2)c1 1874577640 YRUNXLIYULGVKT-YRNVUSSQSA-N 441.752 6.886 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(F)c(F)c2)c1OCc1ccc(F)cc1 1874584741 DLGPLILNELICLC-WEVVVXLNSA-N 432.825 6.241 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(F)c(F)c2)c1OCc1c(Cl)cccc1Cl 1874585102 LWLZTYWCTYCUMI-PKNBQFBNSA-N 449.280 6.755 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3ccccc3)c2)cc1 1874595517 PEMKKRNGQNHMQR-OQLLNIDSSA-N 431.488 5.008 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3ccccc3Cl)c2)c(OC)c1 1874598939 NBAABNAWOOYQNE-XYOKQWHBSA-N 438.907 5.841 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OCC(=O)N(CC)CC 1874603617 WHCQJSTWGSVOSR-RVDMUPIBSA-N 431.532 5.382 30 10 IKEE C=CCOc1c(OCC)cc(/C=C/C(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 1874607890 LVEIAFVEVYTNQG-BJMVGYQFSA-N 432.270 5.217 30 10 IKEE COc1c(Br)cc(/C=C/C(=O)c2ccccc2Cl)cc1Br 1874609092 XKWQMAYMQJXBLD-VOTSOKGWSA-N 430.523 5.770 30 10 IKEE CCOc1c(Br)cc(/C=C/C(=O)c2cccc(Cl)c2)cc1Br 1874612493 XNXDTOYDSIILLB-VOTSOKGWSA-N 444.550 6.160 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1F 1874621461 FXUGJYOIPZHZBE-RUDMXATFSA-N 441.842 5.871 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 1874622412 XBEVUCIJOCRPNT-MKMNVTDBSA-N 439.382 7.766 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OCc1ccc(C)cc1 1874635720 VUZBOCWCVJZJPD-VAWYXSNFSA-N 448.990 7.447 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2)cc1OC(=O)c1ccc(Br)cc1 1874700314 LRHBLTABTKOLDQ-NTUHNPAUSA-N 437.289 5.573 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1OC(=O)CCCSC 1874701967 FHUZDEUGQMDKRU-WEVVVXLNSA-N 439.360 5.947 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OC(=O)c1ccc(F)c(F)c1F 1874703101 YZTPNSLAOFPISS-VZUCSPMQSA-N 426.390 5.536 30 10 IKEE CCc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3cccc4ccccc34)ccc2OC)cc1 1874707965 FZAGTQBFXVRQOL-GHRIWEEISA-N 436.507 6.526 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3c(C)cc(C)cc3C)c2)c(OC)c1 1874716322 MZFJOTLGURYVKQ-FMIVXFBMSA-N 444.527 5.673 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3c(F)cccc3Cl)c2)cc1C 1874717997 PRTJQTVLQVGLHI-ZHACJKMWSA-N 438.882 6.220 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 1875084823 BGZKMNHCDLPOMU-CXUHLZMHSA-N 429.472 6.008 30 10 IKEE CCCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc1OC 1875109597 VKSBOCIEENJGRK-VQHVLOKHSA-N 447.325 5.376 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Br)cc2)ccc1OC(=O)C1CCCC1 1875110908 ISGVXUDJBMPDLY-NTUHNPAUSA-N 443.337 5.840 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)C(F)(F)F 1875126398 GNTAUOAZZWLHLS-FPYGCLRLSA-N 433.209 5.756 30 10 IKEE CCCCCCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccccc2)cc1OC 1875127435 DOSDLJCIDLOUEW-FOCLMDBBSA-N 428.956 6.901 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Br)c1OC(=O)C1CCC1 1875134326 XCXQWWWNWGJHEZ-CSKARUKUSA-N 443.337 5.676 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2)cc1OC 1875137973 LKWKUARBTXMRGU-UKTHLTGXSA-N 430.500 5.365 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(C)c3)cc2)cc1 1875141185 RUOBVTDUDMVJPZ-CXUHLZMHSA-N 432.491 6.103 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)c1ccc(C)cc1 1875182675 PDIPAPULFQHROC-FMIVXFBMSA-N 444.527 6.053 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3c(C)cc(C)cc3C)cc2)c(OC)c1 1875182725 ROADHVXOWKKEDP-MDWZMJQESA-N 444.527 5.673 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc(OC)c1OC(=O)C1CCC1 1875189661 ATXPKQBIWJGUID-VAWYXSNFSA-N 434.532 5.651 30 10 IKEE CC#CCCC[C@@H](NCCC)c1cc(Br)ccc1I 1879648149 UDDBIZKYOUALNR-MRXNPFEDSA-N 434.159 5.288 30 10 IKEE C#CC[C@@H](C)C[C@@H](NCCC)c1cc(I)ccc1Br 1887488028 FEEFNNZYXNPLEW-MLGOLLRUSA-N 434.159 5.144 30 10 IKEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)C1CC2(C1)CC(c1ccccc1)C2 1890990595 RGCVXIHXZAWVFI-UHFFFAOYSA-N 427.466 5.178 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(C1)CC(C#N)(N(C(=O)OC(C)(C)C)C1CCCCC1)C2 1917713205 UQWZVZHILVYZBS-UHFFFAOYSA-N 433.593 5.240 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1cc(Br)sc1Br 1922068648 KGZCCDYMNYLQIC-INIZCTEOSA-N 445.220 5.697 30 10 IKEE C=C(COCc1ccccc1)[C@H](O)c1cc(NC(=O)OC(C)(C)C)ccc1Br 1922078895 ARBDAKLIWWYHLV-FQEVSTJZSA-N 448.357 5.603 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C 1922121594 YPTFHQASQLBANC-VSYWRSJOSA-N 430.633 5.409 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1cc(CNC(=O)OC(C)(C)C)cs1 1983877742 XFAYJGRYWRANHC-QFIPXVFZSA-N 430.614 5.587 30 10 IKEE C[C@@H]1CC[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)[C@H](OCc2ccccc2)C1 1998823443 ROSIPDWYDZTWOQ-QNIAMRLHSA-N 440.609 6.153 30 10 IKEE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1C 2032559916 BLVHVOMIIKGECC-UQBPGWFLSA-N 443.588 5.666 30 10 IKEE CN1C(=CC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)C(C)(C)c2ccccc21 2040464321 JPFZBNKQODIPFU-UHFFFAOYSA-N 425.557 6.095 30 10 IKEE O=C(C=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccc(Br)cc1 2053497508 MRZUPLUCUZMNJK-UHFFFAOYSA-N 447.307 6.337 30 10 IKEE CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2067958513 SJCRREDOTVVNBU-CYFREDJKSA-N 447.551 5.495 30 10 IKEE Fc1cc(-n2nc(C3CCC3)c(C(F)(F)F)c2Br)ccc1C(F)(F)F 2079830945 BCEOOELGCIQRJP-UHFFFAOYSA-N 431.149 6.079 30 10 IKEE Cc1ccc([C@@H](n2nc(C3CCC3)c(C=NO)c2Br)C2(C)CC2)c(F)c1F 2079906243 PELSQXFXVZMKGK-GOSISDBHSA-N 438.316 5.697 30 10 IKEE COc1ccc([C@@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C(C)(C)C)cc1C 2079985228 NDYSOYNVULMBJM-GOSISDBHSA-N 434.378 5.458 30 10 IKEE CC(=O)Oc1ccc([C@@H](C2CCC2)n2nc(C(C)(C)C)c(C=NO)c2Br)cc1 2080097722 ZJBJPIIEAQPMRY-GOSISDBHSA-N 448.361 5.066 30 10 IKEE Fc1ccc(C(F)(F)F)cc1-c1c(C(F)(F)F)nn2c(Cl)c3c(nc12)CCCC3 2081256865 KEYXOCATSXVTLS-UHFFFAOYSA-N 437.746 6.105 30 10 IKEE CCCCC#CC[C@H](NC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2083444485 XGRMNUKJPOBXPQ-MHZLTWQESA-N 427.588 6.689 30 10 IKEE N#Cc1cc(Br)ccc1OCc1ccc(Br)cc1Br 2092386334 IWYRUWXRRYEVDI-UHFFFAOYSA-N 445.936 5.425 30 10 IKEE C=CCN(CC[C@H](NCC)c1ccc(Cl)c(Br)c1F)C(=O)OC(C)(C)C 2099294074 AOBIAXSOSPSWJL-HNNXBMFYSA-N 449.792 5.705 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(Cc2ccccc2)C(C)(C)C1 2135148926 FBIGPIZMKHMTRZ-MHZLTWQESA-N 449.595 5.774 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@](C)(O)c1ccc(C)c(Br)c1 2162076751 BOTWYOJTNKQLFU-GOTSBHOMSA-N 432.402 5.106 30 10 IKEE C=CCCCCCCC[C@H](N)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2220087798 JUDPYKGTEOSEIC-DEOSSOPVSA-N 443.676 5.790 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H](CCC(=O)C#Cc2ccccc2Br)C1 2235717263 IYWMLQQZHGJRRL-AEFFLSMTSA-N 434.374 5.233 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)CC(C)(C)N(C)C(=O)OC(C)(C)C 2235717391 JJQJCKXQEHHITF-SFHVURJKSA-N 437.422 5.204 30 10 IKEE C=CC[C@H](C)[C@H](NCCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237428953 VETKLCTZFRFUJC-DBVUQKKJSA-N 439.438 5.465 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(Nc2ccccc2Br)C[C@H]1C(F)(F)F 2294738710 PIMHAGIZASZLDQ-WMLDXEAASA-N 448.283 5.085 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)CC[C@H](C)CNC(=O)OC(C)(C)C 2296310378 JAVMVRBMMCPAOJ-PXNSSMCTSA-N 437.422 5.110 30 10 IKEE COc1cc(OC)cc(C(=O)C(=Cc2ccccc2[N+](=O)[O-])c2nc3ccccc3o2)c1 2296607511 NJGQVLWVLVSSBB-UHFFFAOYSA-N 430.416 5.177 30 10 IKEE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(=CC1=Cc3ccccc3O[C@@H]1C)C2=O 2296844770 FCNXREDFYNNIRS-MRXNPFEDSA-N 440.451 5.238 30 10 IKEE COc1cccc(C(=O)Oc2ccc3c(c2)OC(=CC=Cc2ccccc2OC)C3=O)c1 2296867917 GJIBXGDDPKVINT-UHFFFAOYSA-N 428.440 5.095 30 10 IKEE C[C@@H](c1cccs1)N(Cc1ccccc1)Cc1nc(B2OC(C)(C)C(C)(C)O2)cs1 2303318327 HFFPOZUHELSCJT-KRWDZBQOSA-N 440.443 5.267 30 10 IKEE CC[C@H](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 2303929835 GCWMZOCKEPPNDZ-AUSJPIAWSA-N 449.514 5.246 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2Cc2ccccc2)cc1 2314477286 DRQLKJYPUSEOMV-AREMUKBSSA-N 439.511 5.263 30 10 IKEE CCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1N=Cc1cccc2ccccc12 2320933864 JCENLTKEATYCFG-UHFFFAOYSA-N 443.576 5.224 30 10 IKEE CCSc1nnc(CC)n1N=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2320976494 ILCWGXZJPKUVNP-UHFFFAOYSA-N 435.380 5.721 30 10 IKEE Cc1ccc(CN2COc3ccc4c(c3C2)OC(=Cc2ccc(N(C)C)cc2)C4=O)cc1 2321958565 UHLLAYSUVIZPDX-UHFFFAOYSA-N 426.516 5.029 30 10 IKEE Cc1cc(C)cc(OCCN2COc3ccc4c(c3C2)OC(=Cc2ccc(C)o2)C4=O)c1 2322193243 LWRVUSWZFDBWDT-UHFFFAOYSA-N 431.488 5.052 30 10 IKEE COc1cccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3ccc(C)cc3)C4)C2=O)c1 2322307597 NYQPAGATCSHCTD-UHFFFAOYSA-N 427.500 5.280 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccccc2C=CC(=O)c2cccc([N+](=O)[O-])c2)c1 2322307805 OXIWUSFMUSPSQU-UHFFFAOYSA-N 430.460 5.125 30 10 IKEE CCCCCN1COc2c(cc3c(c2C)OC(=Cc2c(Cl)cccc2Cl)C3=O)C1 2322347024 YFHCEEXPIZQBMG-UHFFFAOYSA-N 432.347 6.260 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(C)cc2C)c1OCc1cccc(Cl)c1 2322572838 YWASSLAORNQGRS-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(C(C)C)cc2)c1OCc1ccccc1F 2322736760 TVQHZNWUGCIBRJ-UHFFFAOYSA-N 438.926 7.086 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)c4cc5cc(Cl)ccc5o4)c3C)C2=O)cc1 2322851601 UFJBRUKQOSMNIF-UHFFFAOYSA-N 444.870 6.538 30 10 IKEE Cc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2c(Cl)cccc2Cl)C3=O)c1 2322884314 ZXFLXFDQRFFDOH-UHFFFAOYSA-N 439.294 6.446 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OC(=O)C=Cc4ccc(F)cc4)c3C)C2=O)cc1 2323044198 LCUCHBADOGLOSV-UHFFFAOYSA-N 430.431 5.378 30 10 IKEE Cc1ccc(NC(=O)COc2cccc(C=CC(=O)c3ccc4c(c3)CCCC4)c2)cc1 2323057623 SIPBEQVRMOESMD-UHFFFAOYSA-N 425.528 5.787 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC)c(OCCC)c2Br)cc1 2323154226 JRXIQDCOKGDIAI-UHFFFAOYSA-N 433.342 5.931 30 10 IKEE Cc1cc(OC(=O)Cc2ccc(F)cc2)cc2c1C(=O)C(=Cc1cn(C)c3ccccc13)O2 2323226453 MTTKEMCKJZZUNT-UHFFFAOYSA-N 441.458 5.390 30 10 IKEE Cc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)cc1C 2323258824 QRSDYFOCOLLKSH-UHFFFAOYSA-N 427.500 5.513 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(OC)c2)cc(OC)c1OCCc1ccccc1 2323504158 RCHMYSXTMFDSCO-UHFFFAOYSA-N 428.528 5.950 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCc3ccc(F)cc3)c(OCC)c2)cc1 2323556955 KUMCUYYFTXQKOA-UHFFFAOYSA-N 432.535 7.042 30 10 IKEE CCOc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C)o2)C3=O)cc1OC 2323693520 XQMWSOFORPOAAV-UHFFFAOYSA-N 446.455 5.230 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl 2323921173 JQJMRUFRQAZPDU-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OCc3cccc4ccccc34)c([N+](=O)[O-])c2)c1 2323946242 MDQUGOWMKWEQCK-UHFFFAOYSA-N 437.495 6.840 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OCCc1ccccc1 2324074871 ZYSHZNPINYIZQZ-UHFFFAOYSA-N 428.572 6.900 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(F)c2)ccc1OCc1ccc(Cl)cc1 2324120438 WCPOYNINJASKOS-UHFFFAOYSA-N 440.898 6.362 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OCc1cccc(C)c1 2324154349 OFVQEKYIMVCIKE-UHFFFAOYSA-N 434.963 7.256 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(O[C@H](C)C(=O)Nc3ccccc3Cl)c2C)C1=O 2324397323 ABSJEMIIUAQISG-QGZVFWFLSA-N 447.918 5.979 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1)NCc1ccco1 2324651723 DZFUFNVUAUKXKS-UHFFFAOYSA-N 430.287 5.178 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)C=Cc2ccc(F)cc2)n1 2324677022 FRHZSUCKKRYYBA-HXUWFJFHSA-N 434.536 6.145 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(O[C@@H](C)C(=O)Nc4c(C)cccc4C)c3C)C2=O)c1 2325145471 GITALBOUHSFRJO-FQEVSTJZSA-N 441.527 5.942 30 10 IKEE COc1ccc(C(=O)Oc2cc(C=CC(=O)c3ccc4ccccc4c3)ccc2OC)cc1 2325690343 RBJODKBMSLZGQW-UHFFFAOYSA-N 438.479 5.972 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cccc(Cl)c3)c2)cc1 2325710642 BCRNQBQLVLKFCR-UHFFFAOYSA-N 448.946 6.807 30 10 IKEE Cc1c(OCC(=O)Nc2cccc(Cl)c2)ccc2c1OC(=CC=Cc1ccccc1)C2=O 2325717616 YPOFBGDKCSBXTC-UHFFFAOYSA-N 445.902 5.838 30 10 IKEE CCc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2325722880 WYDPDNMQJZGGKR-UHFFFAOYSA-N 447.918 5.845 30 10 IKEE CCOc1ccc(CC(=O)Oc2cc(C=CC(=O)c3ccc(C)c(C)c3)ccc2OC)cc1 2325759640 ABNDGFRBJGKUIC-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SC)n1N=Cc1cccc2ccccc12 2326423809 YNNXWZUSIXTDGN-UHFFFAOYSA-N 430.533 5.179 30 10 IKEE CCCCCOc1ccc(C=Nn2c(C)nnc2SCc2ccccc2Cl)cc1 2326542303 GTIFKGFVLGPKND-UHFFFAOYSA-N 428.989 5.983 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1cccc(Cl)c1 2326542341 RWRPACINTLLSNX-UHFFFAOYSA-N 435.380 5.857 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1ccccc1Cl 2327202816 WBXUTPJCCFKQKA-UHFFFAOYSA-N 426.973 5.412 30 10 IKEE C=C(C)CSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(C(=O)O)cc1 2327749706 OKKWDEHKKJRRCN-UHFFFAOYSA-N 442.544 5.271 30 10 IKEE C=C(C)CSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(CC)cc1 2327749718 SQJTWJJMBNHUAU-UHFFFAOYSA-N 426.589 6.135 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2C(F)(F)F)cc1 2331138267 XZBCJPFAUJHMJQ-UHFFFAOYSA-N 448.514 5.877 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)c1ccc(C)cc1 2331333998 VTYANPFBSIBRHR-UHFFFAOYSA-N 434.463 5.575 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SCCC)nnc2C(C)(C)C)cc1OCC 2331402564 QCBSMSPNGWHXBF-UHFFFAOYSA-N 432.634 5.928 30 10 IKEE COc1ccccc1C=Nn1c(CC(C)C)nnc1SCc1ccc(Cl)cc1Cl 2331471710 ALLKIIGPJVWVIX-UHFFFAOYSA-N 449.407 5.967 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)c1sccc1C 2331553042 KVJVSRYIDPOZQK-UHFFFAOYSA-N 448.874 6.112 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(-n3cccc3)cc2)cc1)c1ccc(F)c(F)c1 2331554887 KFDUNTOAFBUGKM-UHFFFAOYSA-N 429.422 5.871 30 10 IKEE CC(C)c1nnc(SCc2ccccc2F)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2331699388 JRNRTBBWRORKMU-UHFFFAOYSA-N 433.896 5.277 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(N(C)C)cc3)c([N+](=O)[O-])c2)cc1C 2331707292 KYOYMUSVRAODCC-UHFFFAOYSA-N 444.487 5.393 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C(C)(C)C)ccc3C)cc2)c1 2331780504 CPGMERYNVKCRLS-UHFFFAOYSA-N 428.528 6.416 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2OC)ccc1OC(=O)c1sccc1C 2331885095 PQRJYPMXIUMGQC-UHFFFAOYSA-N 442.920 5.842 30 10 IKEE CC#CCN(C[C@H](NCCC)c1cc(Cl)c(Cl)c(Cl)c1)C(=O)OC(C)(C)C 2363130151 HQWFHVFGNYCSMK-KRWDZBQOSA-N 433.807 5.948 30 10 IKEE CCc1ccc(C#N)c(OCc2ccc(I)c(Br)c2)c1 2377629555 DHGQCQBVDGUUQF-UHFFFAOYSA-N 442.094 5.067 30 10 IKEE O=C(Nc1nc(-c2c(Cl)cccc2Cl)no1)O/N=C/c1c(Cl)cccc1Cl 12369570 DDZCFUDUKLDALZ-QPSGOUHRSA-N 446.077 5.933 30 10 IKEE Cc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C(C)(C)C)cc2)C3)c1 20882300 QFEJDIRQXATJGI-KPURRNSFSA-N 436.599 7.272 30 10 IKEE CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)ccc1O 21221723 HAXLISFGNUJJOY-PUAOIOHZSA-N 432.545 5.832 30 10 IKEE CCOc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)c1 21229566 KZAGTFYBDPEUAG-MYUZEXMDSA-N 444.962 6.718 30 10 IKEE Cc1cc(C)c2nc(S[C@H](C)C(=O)Nc3c(C#N)cnn3-c3ccccc3)cc(C)c2c1 32529187 QAMCLTNZNCVTQH-GOSISDBHSA-N 441.560 5.337 30 10 IKEE CCCCCCCCCCOC(=O)c1ccc(C(=O)OCCCCCCCCCC)cc1 33353744 DMBIJVJFFGTDMC-UHFFFAOYSA-N 446.672 8.282 30 10 IKEE biogenic CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\Oc3ccc(Cl)cc3C2=O)cc1 39842449 BJUYLAIBLUKWJG-OYKKKHCWSA-N 442.902 6.208 30 10 IKEE C=C(C)C(=O)NCCCCCc1nc2ccccc2n1CCCOc1ccc(C)c(C)c1 40219816 PFYUTLAWYQEFBF-UHFFFAOYSA-N 433.596 5.527 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3csc(-c4ccccc4)n3)cc21 49507746 YGZGMZLWOASZJB-UHFFFAOYSA-N 433.533 5.000 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)COc1ccc2ccccc2c1 100061197 IKFXTSQXLVZDHG-UHFFFAOYSA-N 425.657 7.816 30 10 IKEE N#CC(C#N)[C@H](/C(Sc1ccc([N+](=O)[O-])cc1)=C(\O)c1ccccc1)c1cccs1 100636974 WLVAMRSUUDISIA-VSRNGQBXSA-N 433.514 6.122 30 10 IKEE CCCCCCCCCCn1c([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21 102213348 QTXPCIQPHBIGDF-XMMPIXPASA-N 431.624 6.693 30 10 IKEE CCCCCCCCCCCn1c(CNC(=O)c2ccc(C)cc2C)nc2ccccc21 102217088 OFEPKIHMRQHHKM-UHFFFAOYSA-N 433.640 7.114 30 10 IKEE COc1ccc(OC)c(/C=C2/S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)c1 102656302 NDTUHKKTTBVOMI-YCJCGMCGSA-N 444.556 5.377 30 10 IKEE O=C1/C(=C\c2ccc3c(c2)OCO3)Oc2cc(OCc3ccc(Cl)c(Cl)c3)ccc21 103022947 ZLPCXTIJYXFCFW-LSFURLLWSA-N 441.266 5.917 30 10 IKEE Cc1cc(C)c(S(=O)(=O)N/N=C/c2ccc(OCc3ccccc3)c(Cl)c2)c(C)c1 169904501 VYXQCCXAZSLDLX-AFUMVMLFSA-N 442.968 5.157 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccc(O)cc2)cc1 169959322 RKMVZFVPEZIQPE-QFIPXVFZSA-N 433.891 5.391 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccncc2)cc1 170016315 QGWYKDSFFDXMQM-XMMPIXPASA-N 437.499 5.469 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2C)[C@H]1c1ccncc1 170022291 DWIUKIWZARGGND-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2C2CCCCC2)cc1 170031660 GDLJDCDDZZTUKZ-DEOSSOPVSA-N 433.548 5.613 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccccc2C)c1 170086445 RJCQCEVGIPFZIH-RUZDIDTESA-N 427.500 5.106 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2sccc2C)ccc1F 170108061 ASCBMVMXGVORSW-HXUWFJFHSA-N 439.483 5.422 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccs2)c1 170160335 GWNKHUOPGKWMNY-NRFANRHFSA-N 431.469 5.291 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1cccs1 170161663 HILQNLWATQPNNR-OAQYLSRUSA-N 449.915 6.239 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccccn2)cc1C 170173653 VKBFYRDAUPSRJY-JOCHJYFZSA-N 448.906 5.225 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccncc2)cc1C(C)C 170200746 WTXHSRUSVWVARJ-XMMPIXPASA-N 442.515 5.305 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(Cl)cc1 170235238 ZBRHXPXYLSVXTQ-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4)[C@H]3c3ccc(Cl)cc3)ccc2O1 170235317 AGKPPDCKVMMSLQ-WNSKOXEYSA-N 445.902 5.446 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@H]1c1c[nH]c2ccccc12 170255223 DOSBNPVOZVSLHC-JOCHJYFZSA-N 432.520 5.172 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(Br)cc2)=C(O)C(=O)N1c1ccccc1 170272131 QAXSQWRNPIEHOI-NRFANRHFSA-N 448.316 5.540 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1C1CCCCC1 170275330 UIAKJEQMAMUCKB-XMMPIXPASA-N 433.548 5.693 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccccc1C 170278503 OSDDUVOBXIWOKX-DEOSSOPVSA-N 431.576 6.122 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC(C)C)cc3)[C@@H]2c2ccco2)cc1 170283356 WAMJQDCQPZXTTC-DEOSSOPVSA-N 445.515 5.660 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C(C)(C)C)ccc3C)[C@H]2c2ccco2)cc1 170283404 BITKOZDVPICRRP-XMMPIXPASA-N 443.543 6.231 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4cccc(OC)c4o3)[C@@H]2c2ccco2)cc1 170283451 MPVSXZWAUGRFPA-QFIPXVFZSA-N 443.455 5.380 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccco2)cc1Cl 170288284 OKBARXVYCWCPND-NRFANRHFSA-N 433.847 5.771 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccco2)c1 170296508 MMDAALLXTUAIRT-DEOSSOPVSA-N 439.467 5.220 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@@H]2c2ccc(C)o2)cc1 170300752 OCFAYIZXULDJRT-XMMPIXPASA-N 445.515 5.722 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Br)c2)[C@@H]1c1cccs1)c1ccccc1 170349139 AVASQIKJSYTBKX-GOSISDBHSA-N 440.318 5.294 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(N(C)C)cc1 170444851 WMQAJZWKHVUDID-NRFANRHFSA-N 446.469 5.287 30 10 IKEE Clc1ccc(-c2ccc(C=Nc3ccc4oc(-c5ccccc5)nc4c3)o2)c(Cl)c1 252632799 VXBTWDQTPZPEPN-UHFFFAOYSA-N 433.294 7.812 30 10 IKEE Fc1ccc(Cn2cc(C=NNC(=S)NC3CCCCC3)c3ccccc32)c(Cl)c1 254317143 GYSATZVWGMAZQU-UHFFFAOYSA-N 442.991 5.613 30 10 IKEE CC(C)c1ccc(C=Nc2ccc(-c3ccc(N=Cc4ccc(C(C)C)cc4)cc3)cc2)cc1 254491977 FHCDUUMDYAMSLX-UHFFFAOYSA-N 444.622 9.102 30 10 IKEE C(=NN1CCN(Cc2cccc3ccccc23)CC1)c1c2ccccc2cc2ccccc12 254592002 DILMKSVHAOTWTL-UHFFFAOYSA-N 429.567 6.298 30 10 IKEE CCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2CC)SC1=Nc1ccccc1OC 254746358 QVQPWUFZOVOSRX-CUCKYGFWSA-N 441.578 5.088 30 10 IKEE CC1(C)CSC(=Nc2cccc(C(F)(F)F)c2)N1C(=O)/C=C\c1ccc(Cl)cc1 254797994 RCLVYQHOWKDJRB-YJJSYIIVSA-N 438.902 6.414 30 10 IKEE CSc1nnc(-c2ccco2)n1N=Cc1ccc(COc2cccc(Cl)c2C)o1 254898850 QPMOZBKJMZHMJW-UHFFFAOYSA-N 428.901 5.276 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(Cl)cc2)c(OC)c1 526491542 VLPJINXRCSKIBA-HSZRJFAPSA-N 446.890 5.286 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(F)cc2)cc1OC 526518156 VTJCFSQKTAJAFZ-DEOSSOPVSA-N 444.462 5.162 30 10 IKEE N#Cc1ccccc1NC1=C(Sc2ccc(Cl)cc2)C(=O)N(c2cccc(F)c2)C1=O 526663836 ZOQUKJSQAZRXSF-UHFFFAOYSA-N 449.894 5.340 30 10 IKEE CC(C)[C@H]1CCCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 698491654 ZVUHNJRIKBSOQF-KNQAVFIVSA-N 435.406 6.689 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@]1(C#N)CCc2cc(Br)ccc21 698858421 WNDHUPVTDRZQAI-QFIPXVFZSA-N 433.390 6.074 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C#N)(N(C(=O)OC(C)(C)C)C1CCCCC1)C2 709411153 BNSSWJJAOLGBCS-OALUTQOASA-N 433.593 5.380 30 10 IKEE C=C1CCC(C[C@H](NCC)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 724570390 QZWVOZLDBCEMFB-BJKOFHAPSA-N 429.649 5.126 30 10 IKEE Cc1ccc([C@]2(C(F)(F)F)NC(=O)N(c3ccccc3)C(=Nc3ccccc3)S2)cc1 886010551 XZHGCWUCZQEFOW-QFIPXVFZSA-N 441.478 6.361 30 10 IKEE CC(/C=C/c1ccccc1)=NNc1nc(SCC(=O)C2C3CC4CC(C3)CC2C4)n[nH]1 1084088341 MVEUJKLXLMNUSZ-HQOXOZJNSA-N 435.597 5.039 30 10 IKEE C=C[C@H](C#N)[S@](=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-] 1088673370 PXNZVPKXMNDCTM-YASQENCXSA-N 430.791 5.245 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=Nc1cccnc1Cl 1772735298 GTDRMWCXACMAHA-PUYZJMEQSA-N 430.316 5.882 30 10 IKEE CCN1C(=O)/C(=C\c2cccc(Cl)c2)SC1=Nc1nc(-c2ccccc2)cs1 1772736365 KHFVSEKKLUEGSG-WEHZRUJJSA-N 425.966 6.087 30 10 IKEE CC(=C\c1ccccc1)/C=C1/SC(=NN=Cc2ccccc2O)N(Cc2ccco2)C1=O 1772756825 DQGIMOIJYALVHJ-BPTPUJEQSA-N 443.528 5.438 30 10 IKEE C[C@@H](CCC[C@@H](C)C(=O)O)[C@H]1CC[C@@H]2[C@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C 1848438094 BQGIGUVHOKYXEI-FCAWPHFGSA-N 428.613 5.408 30 10 IKEE Cc1ccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)nn2-c2ccc(Cl)cc2)cc1C 1859393445 IBIHBABBXKVIQO-UHFFFAOYSA-N 426.907 5.934 30 10 IKEE Cc1ccc2nc(C)cc(C(=O)Nc3oc(-c4ccccc4)c(-c4ccccc4)c3C#N)c2c1 1859650307 NECCLEVJIHRSDA-UHFFFAOYSA-N 443.506 6.903 30 10 IKEE N#Cc1ccc(COc2ccc(NC(=O)CC(c3ccccc3)c3ccccc3)cc2)cc1 1860146375 RZMPPCPTNVHYKU-UHFFFAOYSA-N 432.523 6.298 30 10 IKEE N#Cc1cccc(C(=O)Nc2ccc(Cl)c(NC(=O)Nc3ccc(Cl)cc3)c2)c1 1860461729 OIJRZRGLUIRWKZ-UHFFFAOYSA-N 425.275 5.761 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](C)NC(=O)/C=C/c1ccc(Br)cc1 1861105183 FWWXCPOBNASIGZ-IYICPGQYSA-N 437.422 5.224 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccc(O)c2)cc1 1862389824 OORMLBUNWLYIGT-HSZRJFAPSA-N 447.556 5.575 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccc(Cl)cc2)c1 1862491297 PJRSHHZLOLVZJK-UUOWRZLLSA-N 445.946 6.296 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2ccccc2)cc1 1862515474 WHSKPTRMPBZNQK-RUZDIDTESA-N 441.527 5.562 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 1862533104 KLUVQCVKBVBLKG-HSZRJFAPSA-N 431.919 5.681 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccc(OC)cc3)[C@@H]2c2ccccc2)cc1 1862535075 ZKMYWGLFUZJWFD-IQGLISFBSA-N 441.527 5.597 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(OC)cc2)cc1 1862536408 XNTISQXSAHGJRJ-RUZDIDTESA-N 441.527 5.079 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(N)c2)=C(O)C(=O)N1C12CC3CC(CC(C3)C1)C2 1862554523 FBTXRLXPPBCMEZ-RZNVFEIWSA-N 442.559 5.124 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc(C)cc2)cc1OC 1862576491 VTRMOCBEGHSSEV-PWAGRJGVSA-N 449.547 5.169 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2Cc2ccccn2)cc1 1862616287 SWDNOWWBCPMKRA-XMMPIXPASA-N 440.543 5.466 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(N(C)C)cc1 1862616463 RXPHQNRRRJATEK-QHCPKHFHSA-N 434.580 5.284 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc2cc[nH]c2c1 1862661140 PGAHHZGSCJWAAC-DEOSSOPVSA-N 430.548 5.916 30 10 IKEE O=C(C1=C(O)C(=O)N(C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccccc1F)c1ccc(F)cc1 1862673644 NXNOPCMMOQGMDB-TVQFERKRSA-N 449.497 5.512 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccc(Cl)c2)[C@@H]1c1cccc(F)c1)c1ccc(F)cc1 1862674492 YNPREDZUJLBBLM-OAQYLSRUSA-N 439.845 5.397 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc2ccccc12 1862678142 ORDCIZDQAGXPIW-DEOSSOPVSA-N 431.507 6.138 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C2CCCCC2)cc1 1862681598 DGULSBPSRWZQBE-HSZRJFAPSA-N 437.511 5.526 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(O)c(O)c1 1862726123 ZGPFDWLCBSIYSD-GYCJOSAFSA-N 443.499 5.142 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(C(C)(C)C)cc3)C2=O)cc1C 1862874076 VGARIZPOKKYTLG-UHFFFAOYSA-N 449.554 5.869 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(Cl)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1C 1862879961 NZHIACIKIOSFTE-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Cl)c(Cl)c2)=C(c2ccc(OC(C)C)cc2)C1=O 1863350966 FUGISLCNZHEVGJ-UHFFFAOYSA-N 431.319 5.159 30 10 IKEE CCCCCCCCNC1=C(c2c[nH]c3ccccc23)C(=O)N(Cc2ccc(C)cc2)C1=O 1863812580 IQVSCYFSRAOJKJ-UHFFFAOYSA-N 443.591 5.707 30 10 IKEE N#Cc1cccc(C(=O)N(c2cccc3ccccc23)C2CCN(Cc3ccccc3)CC2)c1 1865855545 WNRZPBGATDZMCU-UHFFFAOYSA-N 445.566 6.023 30 10 IKEE CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)c1ccc(OCC#N)cc1 1865940012 ZBEUVQCPORJJHQ-UHFFFAOYSA-N 434.517 5.363 30 10 IKEE CC1(C)CN(c2cc(Nc3ccccc3C#N)nc(Cc3ccccc3)n2)c2ccccc21 1868216051 PLYUFBUNWQPIAV-UHFFFAOYSA-N 431.543 6.112 30 10 IKEE CCCc1nc(Nc2ccccc2C#N)cc(N2CCO[C@@H](c3ccc(CC)cc3)C2)n1 1868398995 WZGHMFSWKZJNRU-HSZRJFAPSA-N 427.552 5.185 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](NC(=O)C[C@H](c1ccc(C)c(C)c1)C1CC1)c1ccccc1 1868690434 WSPWQMYBAOYUMJ-AHKZPQOWSA-N 430.592 5.245 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3cc4cc(C)ccc4nc32)nc(Cc2ccccc2)n1 1869067512 USJBBWRFBKZBAR-UHFFFAOYSA-N 447.586 5.797 30 10 IKEE N#Cc1nnn(Cc2ccc(Cl)c(Cl)c2)c1NC(=O)c1ccc(Cl)cc1Cl 1870108326 AOMJGZWDKQNIGS-UHFFFAOYSA-N 441.105 5.064 30 10 IKEE CC(C)c1ccc(Cn2nnc(C#N)c2NC(=O)[C@@H](Cc2ccccc2)c2ccccc2)cc1 1870108694 TYXFHEPRAIHUJU-VWLOTQADSA-N 449.558 5.286 30 10 IKEE C=CCn1cc(OCc2ccc(C)cc2)c(=O)cc1CSCc1nc2ccccc2[nH]1 1870216676 HNOWXIVDELPDSN-UHFFFAOYSA-N 431.561 5.231 30 10 IKEE C=CCOc1cn(Cc2cccc(C)c2)c(CSCc2nc3ccccc3[nH]2)cc1=O 1870244506 TUPZSQSXYYYTDL-UHFFFAOYSA-N 431.561 5.080 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCC2CCCCC2)cn1Cc1ccc(Cl)cc1 1870485393 VDHMCCKMFHKXDB-UHFFFAOYSA-N 441.015 5.683 30 10 IKEE C=CCn1cc(OCc2ccc(CC)cc2)c(=O)cc1CNc1cccc([N+](=O)[O-])c1C 1870890447 XRMXZMBCVIXZHN-UHFFFAOYSA-N 433.508 5.004 30 10 IKEE C#CCOc1cn(CCC2=CCCCC2)c(CNc2ccc(Br)cc2)cc1=O 1871008743 LIXQBWUTDZEROA-UHFFFAOYSA-N 441.369 5.125 30 10 IKEE C=CCn1cc(OCCCCOc2cccc(C)c2)c(=O)cc1CNc1ccccc1C 1871221014 JACVOOCMOQHRGI-UHFFFAOYSA-N 432.564 5.501 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1cccs1)O3)CN(CCc1c[nH]c3ccccc13)CO2 1871345154 UZXFZWLTNBFCEH-FMCGGJTJSA-N 442.540 5.549 30 10 IKEE Cc1cc(OC(=O)COc2ccccc2)cc2c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O2 1871364091 FVFVVCKLUNDNGD-IWIPYMOSSA-N 442.511 5.893 30 10 IKEE Cc1cc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)ccc1[N+](=O)[O-] 1871373801 UOJNWIYNZGSIKX-CFRMEGHHSA-N 443.455 5.862 30 10 IKEE CCCOc1ccccc1/C=C/C(=O)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(C)o1)C2=O 1871375932 KQBPLAZMLKKMIB-ILUFLWKGSA-N 444.483 5.920 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)CC4CCCCC4)c3C)C2=O)cc1OC 1871380414 NETBNJKKAPAKAY-UCQKPKSFSA-N 436.504 5.504 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc(OC(=O)C(C)C)cc3)ccc2C1=O 1871390633 GLWZUJKXPZCTSG-OYKKKHCWSA-N 442.467 5.392 30 10 IKEE Cc1c(OC(=O)CCc2cccs2)ccc2c1O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 1871392486 ZGSBXDFTGOVNPC-MOSHPQCFSA-N 435.457 5.119 30 10 IKEE CN(Cc1c(O)ccc2c1O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O)C1CCCCC1 1871393570 WRJOSWIMJJZSOM-IMRQLAEWSA-N 439.555 6.440 30 10 IKEE CCCCCCOc1ccc2c(c1C)O/C(=C\c1cc(OC)c(OC)c(OC)c1)C2=O 1871399474 MNLRWDIZBIKOIJ-MOSHPQCFSA-N 426.509 5.596 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2C)C3=O)c1 1871412264 PXAAIIGIKGGPFR-LPANUZLBSA-N 427.500 5.634 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(F)c2)C3=O)c(C)c1 1871414352 SZOHDJOKQPQXTG-WTZXFZKGSA-N 445.490 5.773 30 10 IKEE Cc1c(OCc2ccc(C#N)cc2)ccc2c1O/C(=C\c1ccc(Cl)cc1Cl)C2=O 1871417281 GLXHUCDQGLUXSA-YVNNLAQVSA-N 436.294 6.369 30 10 IKEE Cc1c(OCc2nc(O)c3ccccc3n2)ccc2c1O/C(=C\c1ccccc1Cl)C2=O 1871430383 IOBJELDFDOWSTE-MTJSOVHGSA-N 444.874 5.492 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)cc1 1871453842 UKEARZUJBFCRQS-MYYYXRDXSA-N 441.527 5.926 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccccc1C)[C@@H](C)CC)S(=O)(=O)c1c(C)cc(C)cc1C 1872441084 KEVOLXAMZFZEOH-FDDCHVKYSA-N 442.625 5.150 30 10 IKEE Cc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(C(C)(C)C)c1 1872760700 WADNJCGQZVXFRR-SFHVURJKSA-N 449.532 5.580 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)/C=C\c3ccc4c(c3)OCCO4)n2)cc1 1872762346 JZTOWLCSXTVHRI-HWDCPHDLSA-N 444.556 5.814 30 10 IKEE N#C[C@H](C(=O)/C=C/c1ccc(Cl)c(Cl)c1)c1nc(-c2cccc3ccccc23)cs1 1872775008 ILHCOOHEYVKGIM-SINXNMPMSA-N 449.362 7.160 30 10 IKEE COc1c(Cl)cc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(F)cc3)n2)cc1Cl 1872785962 XZQRHRFSQARMNH-AWEZNQCLSA-N 435.307 5.684 30 10 IKEE Cc1csc([C@H](C#N)C(=O)c2ccc(N3COc4ccc5ccccc5c4C3)cc2)n1 1872789623 OQZGYDSWRMYJNY-OAQYLSRUSA-N 425.513 5.451 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(Cl)cc2)=C(c2cccnc2)C1=O 1873265374 GWOLNCZZUKGEOM-UHFFFAOYSA-N 439.987 6.068 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)cc2c(NCCc3ccc(C)cc3)ncnc21 1873616650 AOCJABYWJHWWAR-UHFFFAOYSA-N 439.563 5.449 30 10 IKEE Cc1c(CC(=O)Nc2ccccc2C#N)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 1873868826 SKKALQIYSHPEDF-UHFFFAOYSA-N 434.451 5.568 30 10 IKEE CCSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1c[nH]c2ccccc12 1874206102 KGGIHEAIEBWDSQ-BHGWPJFGSA-N 446.363 5.639 30 10 IKEE CCCSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1ccccc1Cl 1874209157 FQZUQWJQCPTSDT-LPYMAVHISA-N 449.805 5.669 30 10 IKEE C=C(C)CSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1ccccc1Cl 1874261245 BMDHOLIRHHUJGG-YSURURNPSA-N 434.899 5.339 30 10 IKEE C=C(C)CSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1c[nH]c2ccccc12 1874288284 XMTOLDUDGGDXRD-JVWAILMASA-N 435.641 6.774 30 10 IKEE Fc1ccccc1/C=N/n1c(SCc2ccccc2F)nnc1-c1ccccc1Cl 1874365556 IQDULVQQMRIGBQ-LGJNPRDNSA-N 440.906 6.051 30 10 IKEE CCCOC(=O)CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1ccc(Cl)cc1 1874398223 XHUUVAIYLUOTHI-GCMSVZMUSA-N 442.972 5.011 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3)n2/N=C/c2ccc(F)cc2F)c1 1874402327 TWKRYSDZTNYVGB-LQKURTRISA-N 448.542 5.824 30 10 IKEE Fc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCCc2ccccc2)c(F)c1 1874413243 JGTVNQITFATTEZ-MFKUBSTISA-N 440.544 5.426 30 10 IKEE CCCCOc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCC)cc1OCC 1874417868 RVAZANBRZWXXMO-XIEYBQDHSA-N 438.597 5.441 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2-c2cccs2)c(F)c1 1874424028 QNUQJIIIXSQCNW-BHGWPJFGSA-N 446.935 6.113 30 10 IKEE Cc1ccccc1CSc1nnc([C@@H]2CCCO2)n1/N=C/c1ccccc1OC(C)C 1874443928 OJQPFFCEFGOGAJ-IBUSPFOHSA-N 436.581 5.400 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(O)c(O)c1 1874517068 KNDVXTXHBJOKGS-LSFURLLWSA-N 437.352 5.294 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccc2c(c1)OCCO2 1874525749 DJYNZJPIWHXAMV-FOKLQQMPSA-N 449.363 5.093 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 1874597002 OTSVFNKGNOPTHL-CSKARUKUSA-N 427.327 6.786 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC)c(OC)c2Br)c1 1874599303 GIXLBSOGJYWLGQ-JXMROGBWSA-N 435.314 5.160 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccc(F)cc3)c2)cc1C 1874600943 KUGSCNVJYSDBRC-KPKJPENVSA-N 433.479 5.365 30 10 IKEE CCN(CC)C(=O)COc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OC 1874601049 QQNPHYCKAJXKPU-UXBLZVDNSA-N 436.335 5.145 30 10 IKEE Cc1ccccc1COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1Cl 1874601606 SWLCPFTXBZNJGJ-GZTJUZNOSA-N 438.954 7.791 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1OC 1874602936 HAXGLFHFRIFZJA-RMKNXTFCSA-N 426.871 5.971 30 10 IKEE C=C(C)COc1c(OCC)cc(/C=C/C(=O)c2cccc(Br)c2)cc1[N+](=O)[O-] 1874610053 YCQPVXOTCIMLBB-CMDGGOBGSA-N 446.297 5.607 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2[N+](=O)[O-])c1 1874617758 RUIXYFVXIHLQIS-DHZHZOJOSA-N 444.487 5.434 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(OC)c1OCCc1ccccc1 1874627808 XALVTGXJBNJHCZ-JLHYYAGUSA-N 434.482 6.220 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 1874693915 CNGPWXQKAOTGOA-MKMNVTDBSA-N 431.444 5.281 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OC(=O)Cc1ccc(Cl)cc1 1874697791 ACZGPGFWXMJDAW-UKTHLTGXSA-N 436.891 5.401 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OC(=O)c1ccc(C)c([N+](=O)[O-])c1 1874703119 ZSUQNPXOUYITDK-KPKJPENVSA-N 431.444 5.336 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OC(=O)c1ccc(OCC(C)C)cc1 1874709896 NKOKJMCUCBUQSR-LNKIKWGQSA-N 448.490 5.984 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2cccc(OC(=O)c3sccc3C)c2)cc1Cl 1874713990 YZHMCWZENSSLSU-BQYQJAHWSA-N 442.920 5.842 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)CC3CCCCC3)c2)c(OC)c1 1874714028 ACVIPIIMVYVYCL-UKTHLTGXSA-N 438.520 5.484 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1ccc(F)cc1F 1875095662 AQLYRMBDKDWUOB-WUXMJOGZSA-N 444.433 6.242 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3ccc(F)cc3)c(OC)c2)cc1 1875103897 WAGPGKZFBCBGHU-AWNIVKPZSA-N 438.882 6.165 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2[N+](=O)[O-])c1 1875127280 XEIPKFSFRKPJLE-JLHYYAGUSA-N 431.444 5.038 30 10 IKEE CCc1ccc(C(=O)Oc2c(OC)cc(/C=C/C(=O)c3ccc(C)cc3)cc2OC)cc1 1875133501 XYDVFAGMLNJTNN-XNTDXEJSSA-N 430.500 5.690 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(F)c3)c(Cl)c2)cc1 1875137503 PINHQMDDWJNCPH-WUXMJOGZSA-N 438.882 6.383 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)cc2)c1 1875138444 WLSNPTZWTSBYHC-OCCPTNHCSA-N 430.931 6.562 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)cc3)c(OC)c2)c1 1875147006 JMMODTACVYSFOD-FMIVXFBMSA-N 446.499 5.065 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)c3ccccc3)c(OC)c2)c(OC)c1 1875177849 MDXJFNKNCKAJTO-MDNBWPLSSA-N 446.499 5.318 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CCC[C@]2(C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 1918313771 HSINGTIROCZROK-RUZDIDTESA-N 441.572 5.107 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CCC[C@]2(C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 1918330220 SZPOWGRPFGDYQC-XMMPIXPASA-N 445.535 5.251 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](O)c1ccc(OCc2ccccc2)cc1 1922097258 NHSDPZWUFJTJNW-WUFINQPMSA-N 431.576 5.440 30 10 IKEE CC1(C)CC[C@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)[C@@H](OCc2ccccc2)C1 1998841968 ZYVPZLWFQZTPTM-WMZHIEFXSA-N 427.549 5.592 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@H](C(C)C)N(Cc3ccccc3)C2)cc1 2029765109 SNIOWQYSEQIDKW-SQHAQQRYSA-N 433.596 5.929 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2046018755 KLQLDNPXNFYFJA-NRBNPPADSA-N 445.535 5.153 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)C[C@H]1C1CCC1 2073794328 KBZFKSIOYZBKLE-CPJSRVTESA-N 447.620 5.628 30 10 IKEE CCc1nn([C@H](c2ccc(C(F)(F)F)c(F)c2)C(C)C)c(Br)c1C=NO 2079969715 HYTBDAOPWJDNSU-HNNXBMFYSA-N 436.247 5.419 30 10 IKEE Fc1cc(-c2c(C(F)(F)F)nn([C@@H]3CCOC3)c2Br)ccc1C(F)(F)F 2080793104 DTEBWGGLTIGNBG-MRVPVSSYSA-N 447.148 5.451 30 10 IKEE Fc1cc(-c2c(C(F)(F)F)nn3c(Cl)c4c(nc23)CSC4)ccc1C(F)(F)F 2081507373 YISNRHKMIRERHS-UHFFFAOYSA-N 441.759 5.973 30 10 IKEE CCOC(=O)c1sc([C@@H](C#N)C(=O)CSc2ccc(C)cc2)nc1-c1ccccc1 2084270710 WFROYEQTWQSMLP-SFHVURJKSA-N 436.558 5.264 30 10 IKEE CC[C@@H](C)C[C@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)NC1CC1 2086501019 RWSZZXIQUAUFFZ-YWEHKCAJSA-N 432.656 5.071 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@@]1(C#N)CCN(Cc2ccccc2)CC12CCC2 2098718831 OQKWWTKZESDETB-HHHXNRCGSA-N 449.570 5.906 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1ccc2c(c1)CCC2 2152737011 DHCKEXHNGVDLKQ-HXUWFJFHSA-N 427.342 5.944 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)[C@@H]1C[C@H]1C1CCCCC1 2200284844 XRKQTACOADNWGV-SQGPQFPESA-N 433.390 6.299 30 10 IKEE CCCCCCC[C@](C)(CO)N(CC1CC1)C(=O)OCC1c2ccccc2-c2ccccc21 2211086421 HODLKKSVDUWQQJ-GDLZYMKVSA-N 449.635 6.759 30 10 IKEE CCC#C[C@H](NCCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2225474929 SFJQQBZCKWDEKZ-WNJJXGMVSA-N 443.587 5.660 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCCC)c2sc(C)c(Br)c2C)C1 2226137746 UPHGGYZOYUFUAG-KRWDZBQOSA-N 443.451 5.782 30 10 IKEE COc1ccc(F)c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)c1 2235967427 GKBNAUQZPALQFL-GOSISDBHSA-N 435.293 5.603 30 10 IKEE C=C(C)CC[C@H](NCCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237422483 WIRPRLOWODBAHC-PMACEKPBSA-N 439.438 5.609 30 10 IKEE Cc1cc(NC(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)ccc1NC(=O)OC(C)(C)C 2255606336 RSPFQXJTHSCZDL-WKILWMFISA-N 430.354 5.153 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cccc(Cl)c1Br 2259397664 ZYRXBJXFWKVNPN-NVXWUHKLSA-N 431.802 5.613 30 10 IKEE C=CCN(CC[C@@H](NCC)c1cccc(Cl)c1Br)C(=O)OC(C)(C)C 2259401850 VCUPLJFIMYDWPD-MRXNPFEDSA-N 431.802 5.566 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1sc(Br)c(C)c1C 2265903326 DHEBJUZFCMMCOP-HZPDHXFCSA-N 445.467 6.028 30 10 IKEE C#CC1(NC(=O)c2cc(NC(=O)OC(C)(C)C)c(C)cc2Br)CC(C)(C)C1 2288228160 SGVKXJPSJYJUQE-UHFFFAOYSA-N 435.362 5.026 30 10 IKEE COc1ccc(N=C2NC(=O)C(=Cc3ccc(Sc4nc5ccccc5[nH]4)o3)S2)cc1 2293568236 JCUQFBSGJBJVSM-UHFFFAOYSA-N 448.529 5.207 30 10 IKEE C=CCN1C(=O)C(=C2Sc3ccccc3N2CC)SC1=Nc1cccc2ccccc12 2297707922 ZNJYXOZMNQCFHW-UHFFFAOYSA-N 443.597 6.390 30 10 IKEE CCN1C(=O)C(=C(C)c2ccc(Br)cc2)SC1=Nc1ccncc1Cl 2314543186 XQFSYHVUHQIVRZ-UHFFFAOYSA-N 436.762 5.512 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CC2)cc1OC 2320858288 HUUNIPZVVNAANC-UHFFFAOYSA-N 428.945 5.001 30 10 IKEE Cc1ccccc1C=C1Oc2c(cc3c(c2C)OCN(CCc2ccc(F)cc2)C3)C1=O 2322286774 AYVMWUUULYFNCJ-UHFFFAOYSA-N 429.491 5.453 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1c(F)cccc1Cl)c1cccc([N+](=O)[O-])c1 2322312103 PBGUKIMRVIZGSE-UHFFFAOYSA-N 446.261 6.516 30 10 IKEE CCOc1ccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3cccc(C)c3)C4)C2=O)cc1 2322432501 RNDFOPYSNKLXRN-UHFFFAOYSA-N 441.527 5.670 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccccc2Cl)c1OCc1ccccc1Cl 2322436722 HYJFVUCJEHLTRE-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE O=C(C=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12)c1ccc2c(c1)OCCO2 2322668101 LLGYSPZONGTQHQ-UHFFFAOYSA-N 440.470 6.225 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2c(OCCCO)ccc3ccccc23)cc1 2322759910 COMZLCDAQJIRBJ-UHFFFAOYSA-N 446.587 6.846 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C)c(C)c2)c1OCC(=O)Nc1cccc(C)c1 2322901049 MTUOGUYLYCHMCT-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE C=C(C)COc1c(C=CC(=O)c2ccc(OC)c(OC)c2OC)cc(Cl)cc1OC 2323035016 JONVGBABLZMMGR-UHFFFAOYSA-N 432.900 5.225 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OC(=O)C(Cl)(Cl)Cl)c3C)C2=O)cc1 2323038925 PLSGCMAPJCJLDJ-UHFFFAOYSA-N 425.695 5.449 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3cc(C)cc(C)c3)c2)c1 2323068446 WORRLYMFEUJQIN-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OCC(=O)N[C@H](C)c3ccccc3)c2)cc1 2323157433 HYBILAKKMBGPFY-OAQYLSRUSA-N 443.543 5.628 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OC(=O)c3ccc(C(F)(F)F)cc3)c2C)C1=O 2323353033 XVFLZSKTOIZISJ-UHFFFAOYSA-N 438.401 6.158 30 10 IKEE CC(C)c1ccc(C=C2Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc3C2=O)cc1 2323396432 IRQAZDLQACWAJJ-UHFFFAOYSA-N 448.518 6.728 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)ccc1OCC(=O)Nc1ccccc1F 2323503463 ZANJBQVXESTBIO-UHFFFAOYSA-N 449.478 5.147 30 10 IKEE C=CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(CC)cc2)C3=O)c1 2323858071 ARWXYYMUBAJOMR-UHFFFAOYSA-N 440.495 5.958 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2F)C3=O)c1 2323890295 JSAJKGZGVBEIST-UHFFFAOYSA-N 446.430 5.285 30 10 IKEE Cc1ccccc1C=C1Oc2cc(O[C@H](C)C(=O)Nc3ccc(F)cc3)cc(C)c2C1=O 2324319360 XREIVKBSBOBOQE-QGZVFWFLSA-N 431.463 5.465 30 10 IKEE N#C[C@@H](C(=O)C=Cc1cccc(Cl)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2324331703 KTICNPGWZYDEQV-QHCPKHFHSA-N 440.955 7.020 30 10 IKEE CCCNC(=O)COc1c(Cl)cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1OC 2324332090 MUZUXNYYNWVCKR-UHFFFAOYSA-N 443.971 5.383 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 2324358623 QMJUQTWIUXRXKQ-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccc(C)cc2)C3=O)cc1 2324490814 QRSOPNLBQPVFLU-LJQANCHMSA-N 441.527 5.888 30 10 IKEE Cc1ccccc1COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1Cl 2324574683 REPWDGVOBCMCMX-UHFFFAOYSA-N 432.991 7.729 30 10 IKEE CCCOC(=O)[C@@H](CC)Oc1cc(C)c2c(c1)OC(=Cc1c(Cl)cccc1Cl)C2=O 2325092456 UIHFYROZNUNMFW-GOSISDBHSA-N 449.330 6.029 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cc4ccccc4n3C)c2)cc1C 2325715354 JZUDASBYDALZGH-UHFFFAOYSA-N 425.484 5.611 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2cccc(C=CC(=O)c3cccc(Cl)c3)c2)cc1 2325728555 UFNFCGJZCRXSDR-UHFFFAOYSA-N 434.919 6.309 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1OC(=O)c1cccc(F)c1 2325765258 VYBGYUNWWQUPDH-UHFFFAOYSA-N 446.518 6.556 30 10 IKEE CCCSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1ccccc1F 2325913939 HBVAJCIZLDDYEU-UHFFFAOYSA-N 439.343 5.687 30 10 IKEE Cc1cc(C)cc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccc(F)cc2)c1 2326421997 FEAXFYYYMXWBBV-UHFFFAOYSA-N 444.579 5.994 30 10 IKEE COc1cc(C=Nn2c(C)nnc2SCc2ccc(C)cc2C)cc(Cl)c1OC 2326433171 TXWHISDKTMHFSZ-UHFFFAOYSA-N 430.961 5.048 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1ccc(OCC(C)C)cc1 2326681630 RLTAIDAHYNBKNO-UHFFFAOYSA-N 447.608 5.702 30 10 IKEE CCCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1N=Cc1cccc(Cl)c1 2326878889 MCZOQUNQNYMTER-UHFFFAOYSA-N 446.960 5.217 30 10 IKEE C=CCOc1ccccc1C=Nn1c(COc2ccc(CCC)cc2)nnc1SCC 2327355989 JCOMPFWMFOCYAV-UHFFFAOYSA-N 436.581 5.369 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2Cl)n1N=Cc1c[nH]c2ccccc12 2327956756 PRHPIVJBLSOLFU-UHFFFAOYSA-N 435.984 5.748 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(OC)cc2)n1N=Cc1cccc2ccccc12 2328576605 LUZWIJXGIWKKQD-UHFFFAOYSA-N 442.588 5.776 30 10 IKEE COc1cccc(CCc2nnc(SCc3ccccc3C)n2N=Cc2ccccc2)c1 2328607698 IWBZFLNWCJHWFG-UHFFFAOYSA-N 442.588 5.555 30 10 IKEE Cc1ccc(CSc2nnc(CCOc3ccccc3)n2N=Cc2ccc(O)cc2)cc1 2329150689 YULRDFOLWKTRMV-UHFFFAOYSA-N 444.560 5.088 30 10 IKEE Oc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2-c2cccs2)cc1 2330603894 POUPVFCPTAEHQJ-UHFFFAOYSA-N 426.954 5.540 30 10 IKEE CCCC(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1Br 2330684860 UXQFIUBKVZXTBA-UHFFFAOYSA-N 427.338 5.930 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)ccc1OC(=O)Cc1ccc(F)cc1F 2330949415 NSVXMLDZWSJAKL-UHFFFAOYSA-N 442.845 5.671 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)CCCOc1ccccc1 2331081234 LQIKIAOWUZCCMZ-UHFFFAOYSA-N 446.499 5.365 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)c1ccccc1F 2331086573 PAKVUIMZZVVOPM-UHFFFAOYSA-N 442.389 5.236 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1ccc(C)c(C)c1 2331292736 ARHRSJSJVPTGCW-UHFFFAOYSA-N 440.539 6.464 30 10 IKEE Cc1cccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C(C)(C)C)c1 2331410880 NCWBATIIRFIOBV-UHFFFAOYSA-N 433.408 6.365 30 10 IKEE O=[N+]([O-])c1cccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C2CCC2)c1 2331546488 WUAMKQLDISDHNK-UHFFFAOYSA-N 445.907 5.421 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OC(=O)COc3ccc(Cl)cc3)cc2)c1C 2331643872 ZPYHOVMZNHBVIA-UHFFFAOYSA-N 448.946 6.454 30 10 IKEE CSCCCC(=O)Oc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1Cl 2331646776 IEBDWCJVCHXMSE-UHFFFAOYSA-N 430.997 6.518 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc2c(c1)OCCO2 2331658986 FPSRLRMLCURKGE-UHFFFAOYSA-N 444.560 5.330 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)CC(C)C)c(OCC)c2)c1 2331684027 LKSXZVRAKCVZAP-UHFFFAOYSA-N 440.536 5.730 30 10 IKEE Cc1cc(I)c(Oc2c(Br)cccc2C#N)cc1Cl 2336554758 WPDSCOUADAMMEY-UHFFFAOYSA-N 448.485 5.680 30 10 IKEE C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339590243 KIOJYSXRLYFELY-OFNKIYASSA-N 433.405 5.049 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C(C)(C)C 2339592488 QMGMCPOPXCDVQR-JKGDOXCYSA-N 445.413 5.078 30 10 IKEE COC1(C#C[C@@H](O)c2cc(Br)cc(NC(=O)OC(C)(C)C)c2)CCCCC1 2363514486 RMNCJKSFZMLDQB-GOSISDBHSA-N 438.362 5.182 30 10 IKEE CC1(C)OB(C=Cc2ccc(NC3[C@H]4CC[C@H]3CN(Cc3ccccc3)C4)nc2)OC1(C)C 2365048003 DEESULHLBKUNEM-GOTSBHOMSA-N 445.416 5.049 30 10 IKEE C=CCn1c(SCc2ccc(C(=O)O)cc2)nc2scc(-c3ccc(C)cc3)c2c1=O 8950544 UWKFALYIIZBWTQ-UHFFFAOYSA-N 448.569 5.610 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)nc2c(C)cccc12 12240753 TVARYCAJYAXKLY-SDNWHVSQSA-N 449.558 5.858 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)nn1[C@H]2/C=C/c1ccccc1 19636974 GYINBIQYDGIHTQ-ARKBFRDHSA-N 442.588 5.894 30 10 IKEE O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccc(Cl)cc1)n1nc(C(F)(F)F)nc1N2 19642171 SYPRGDQBLJQHEV-IFXJQAMLSA-N 444.844 5.366 30 10 IKEE Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 21246917 HSIVORLPUNALDS-PZGXJGMVSA-N 436.599 7.272 30 10 IKEE O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@@H](c1ccccc1[N+](=O)[O-])Nc1ccccc1N2 21254738 FQQJTOGKYRPJBR-PUAOIOHZSA-N 429.451 5.713 30 10 IKEE C=C(C)CN(CC)C(=O)c1ccc(-n2nc(C(=O)OCC)cc2-c2ccccc2C)cc1 23428525 CLFFJRLRMBKLBF-UHFFFAOYSA-N 431.536 5.063 30 10 IKEE C=CCC[C@@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1 36346382 BULAUXGPKRBROA-HSZRJFAPSA-N 437.559 5.651 30 10 IKEE C=CCN1C(=O)/C(=C(\C)c2cccc(OC)c2)S/C1=N/c1nc(-c2ccccc2)cs1 39865927 IRMGAURMASXCKZ-UDYMOMHISA-N 447.585 5.999 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3c(ccc(OCc4ccc([N+](=O)[O-])cc4)c3C)C2=O)c1 41501397 TYGBFDKYZCOMHH-QRVIBDJDSA-N 447.443 5.116 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(N(C)C)cc1)C3=O)CN([C@@H](C)c1ccccc1)CO2 41589362 ACXBFRMOQMVMJJ-ILRHRSLTSA-N 440.543 5.590 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(F)cc4)c3C)C2=O)cc1 62883610 ZNXRXKYMKIXGSR-JLPGSUDCSA-N 445.490 5.816 30 10 IKEE Cc1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccccc3)[C@H]2c2ccc(Br)cc2)cc1 102611216 XPVJOZGNWYXKME-SADKCHQCSA-N 448.316 5.384 30 10 IKEE Cn1c(-c2ccccc2)cc2c(N/C(=C\C(=O)c3ccccc3)c3ccccc3)cccc21 102782962 PPRCXVMOILONQV-MEFGMAGPSA-N 428.535 7.181 30 10 IKEE COc1cc(/C=N/Nc2ccc(C)cc2)ccc1OCc1ccc(Br)cc1 169877552 TWUYXKYHGISVQA-ZVHZXABRSA-N 425.326 5.791 30 10 IKEE CCN(Cc1ccccc1)c1ccc(/C=N\n2c(S)nnc2Cc2cccs2)cc1 169913832 VFEPHWLIRXCLTA-JLPGSUDCSA-N 433.606 5.128 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccc(O)cc2)cc1C 169960253 HSXQQKIXGIQJOP-SANMLTNESA-N 449.506 5.945 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccnc2)c1 170000581 ZUWFLJGCVLVYHK-QHCPKHFHSA-N 440.455 5.009 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 170051976 BUZNWTUFGYSIOE-NRFANRHFSA-N 438.310 6.085 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 170066332 LFTVRFFIPZEPMW-DVECYGJZSA-N 444.531 5.049 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)CCc2ccccc2)=C(O)C(=O)N1c1cccc(Cl)c1 170107132 RYOAYIXFWCYFQC-NRFANRHFSA-N 437.948 5.812 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cccc(OCC(C)C)c3)=C(O)C(=O)N2C2CCCC2)c1 170121352 FTKBGFHYSIHAQC-XMMPIXPASA-N 449.547 5.251 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1cccc(C)c1 170141905 VYOLOLMPQSFNJC-JOCHJYFZSA-N 447.918 5.748 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2cccs2)cc1C 170158603 VDKZGKRXJQQBRP-QHCPKHFHSA-N 447.556 5.773 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@H]1c1ccccn1 170172716 VUIIMCAMOSEWLZ-QHCPKHFHSA-N 442.515 5.107 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccc2)ccc1Cl 170223984 LHHCOYHGZXFQAH-HSZRJFAPSA-N 447.918 5.830 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(F)ccc3OC)[C@@H]2c2ccccc2)cc1 170224473 WZKLWRJFHONDOB-QHCPKHFHSA-N 431.463 5.180 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccccc2)c1 170225095 ZLPXMFIPSMNWHC-DEOSSOPVSA-N 427.500 5.485 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1ccccc1 170228720 JDLAVWSTCBFDMV-QHCPKHFHSA-N 427.500 5.403 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccc2C)c(C)c1 170270724 JAQJAFQXULOMDE-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1c1ccc(F)cc1 170271250 JACYWILXQVUBBB-RUZDIDTESA-N 437.470 6.070 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2C)ccc1Cl 170272340 WTUOXEFFLDECGY-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@@H]2c2ccc(C)o2)cc1 170300748 UMFQSPMXIPASRV-HSZRJFAPSA-N 431.488 5.332 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccc(C)o2)cc1C 170302546 PUWMNNPUCLYRNX-HSZRJFAPSA-N 431.488 5.305 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2sccc2C)c(C)c1 170315390 KNLPXPJPDRCJEN-NRFANRHFSA-N 433.529 5.465 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccc(OC(C)C)c2)cc1C 170348420 ZSIHXYSSRPKFGW-QHCPKHFHSA-N 447.556 5.935 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Br)cc2)o1 170402598 MWMZQHXNMLNXGP-IBGZPJMESA-N 438.277 5.133 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)C)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 170456505 BAYIRLWYWRFWHZ-XMMPIXPASA-N 427.500 5.912 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc3c(c2)OCCO3)[C@H]1c1ccc(C(C)(C)C)cc1 170467549 ODYRIRPCXHVYIO-QFIPXVFZSA-N 449.547 5.271 30 10 IKEE Cc1ccc(-c2ccc(C=NNc3ccc(I)cc3)o2)cc1[N+](=O)[O-] 252592254 BEEOUECHRQGAQE-UHFFFAOYSA-N 447.232 5.214 30 10 IKEE O=C1CCCC/C1=C1/SC(=Nc2ccccc2)C(=Nc2ccccc2)N1c1ccccc1 252629911 UQFVZTVHLXGIEC-GYYLHCQHSA-N 437.568 7.055 30 10 IKEE CC(C)n1cc(C=Nc2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c2ccccc21 254554841 FMGPWQSDNWLWLE-UHFFFAOYSA-N 447.648 6.976 30 10 IKEE CC(=NNc1cc(Cl)ccc1Cl)c1csc(COc2ccc(Cl)cc2)n1 254632450 VLKWPJBENPPBFJ-UHFFFAOYSA-N 426.756 6.518 30 10 IKEE C(=N/N=c1/[nH]c2ccccc2s1)c1cn(Cc2cccc3ccccc23)c2ccccc12 254704120 IKFALNIBCDDJDT-UHFFFAOYSA-N 432.552 6.320 30 10 IKEE Cc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2cccc(OC(F)(F)F)c2)cc1 586202049 CDOMDFZMNYVABV-UHFFFAOYSA-N 446.450 5.161 30 10 IKEE C=C(C)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Br)cc1 586207068 MIXLZKUVSKTLHT-UHFFFAOYSA-N 434.277 5.239 30 10 IKEE C[C@@H](C[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br)c1ccccc1 698482110 LUWPHBKBHIGEOB-FUHWJXTLSA-N 429.358 6.277 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1ccc(C(C)(C)C)s1 698495021 AWGZYUXLJXYRDE-MRXNPFEDSA-N 449.414 6.814 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@H](C#N)c1ccc(OCc2ccccc2)cc1 698971510 CTDGXHJKIKMMAS-XMMPIXPASA-N 432.495 6.411 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2cccc(OCc3ccccc3)c2)cc1 698977144 FEFMURLXWYIFEA-VWLOTQADSA-N 444.531 6.281 30 10 IKEE CCCCCCCCC[C@@H](N)c1ccc(I)c(Br)c1 721629643 MSYBQKLLHJNLMT-MRXNPFEDSA-N 438.191 6.194 30 10 IKEE Cc1ccc(-c2csc(NN=Cc3ccc(OC(=O)c4cccc(Cl)c4)cc3)n2)cc1 1081086652 GLVYJESJHVTGDT-UHFFFAOYSA-N 447.947 6.437 30 10 IKEE CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)O[C@H](C#N)c1csc(C(=O)c2ccccc2)c1 1614949290 BSOHZJRXOVVHGV-RKVPGOIHSA-N 434.344 5.678 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=Nc1cccc(C)n1 1772731129 JOXPRCMAEHQNSO-HOMYTQLHSA-N 434.477 5.182 30 10 IKEE C=CCN1C(=O)/C(=C\c2c(Cl)cccc2Cl)SC1=Nc1ccc(C(=O)O)c(O)c1 1772761151 XYEGEEBMALGSIY-ZZYMSUEGSA-N 449.315 5.187 30 10 IKEE CC(C)(C)c1csc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3F)CC2)c1C#N 1860633111 WJTRLVBMFXBUPM-UHFFFAOYSA-N 447.963 5.201 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)CCCOc1ccc(Cl)cc1 1861713289 DDOFJJHFYITYAR-JOCHJYFZSA-N 439.040 5.651 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1sccc1C 1861736366 AOZDOFAJCMALEY-JOCHJYFZSA-N 444.641 5.360 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(N(C)C)cc1 1862433851 MUGHITQCDIJGSX-QFIPXVFZSA-N 440.971 5.565 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CC(C)C)cc1 1862440341 WDCXIXPFLAASAC-QFIPXVFZSA-N 441.955 5.753 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2cccc(C)c2)cc1 1862442199 GWHZQABNRHGJJG-DEOSSOPVSA-N 445.946 5.778 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)ccc1O 1862481558 GHLREFUNCWNLLF-GERBCZOESA-N 449.547 5.256 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2cccc(O)c2)c1 1862490313 SMDJRPKPXBEBMI-KOSHJBKYSA-N 427.500 5.349 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2c(F)cccc2Cl)ccc1F 1862505827 SYYKWMQBWIKNAD-FQEVSTJZSA-N 443.833 5.298 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2cccc(OCC)c2)cc1 1862519580 NLOBXEZVIYWKQF-SBUREZEXSA-N 437.536 5.251 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@@H]2c2ccccc2C)cc1 1862532667 IRHBQDOVAHMPBC-RUZDIDTESA-N 441.527 5.215 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(Cl)cc1 1862583984 NTCFKYBBGCNENX-GOSISDBHSA-N 438.738 5.881 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(F)cc1)c1cccc2ccccc12 1862650096 NJNOQVFNSKIWOP-RUZDIDTESA-N 437.470 5.757 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccc(C)cc2)c1 1862676480 JZAWXNJAZGEIGB-DEOSSOPVSA-N 445.490 5.311 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(OCCCC)cc1 1862721744 REJJTJKGCIUWSH-RUZDIDTESA-N 441.527 5.783 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 1862749075 PSYAXFJURWFBAC-OAQYLSRUSA-N 438.455 5.035 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3cccc4cccnc34)C2=O)cc1C 1862871355 ZBGLKVIGIPYNGI-UHFFFAOYSA-N 444.494 5.120 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(Cl)cc3C)C2=O)cc1C 1862877581 GDBRKDZRBXICNW-UHFFFAOYSA-N 441.918 5.534 30 10 IKEE Cc1cccc(NC2=C(c3cc(Cl)ccc3Cl)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1863015460 ZLFIHLYLDDFXBY-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE CSc1cccc(NC2=C(c3cc(C)ccc3C)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1863031141 YSPZDQZDYLYMIA-UHFFFAOYSA-N 439.540 5.294 30 10 IKEE CSc1cccc(NC2=C(c3ccc(F)c(C)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1863093355 MRTKMQZYVGUXEM-UHFFFAOYSA-N 443.503 5.124 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(OC)c(Cl)c2)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863278817 PANPJKZGVQAZPH-UHFFFAOYSA-N 437.710 5.033 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(OCCCC)cc2)=C(c2cc(Cl)ccc2Cl)C1=O 1863390945 WEWJTBZIEZKILG-UHFFFAOYSA-N 445.346 5.550 30 10 IKEE CCCC[C@@H](NC(=O)/C=C(/c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1ccccc1C#N 1866690750 AFTWGLQMAPZVPS-OWXSRONMSA-N 429.564 5.282 30 10 IKEE CC(C)c1nc(Nc2ccc(C#N)cc2)cc(N2CCO[C@@H](c3cccc(Cl)c3)C2)n1 1868242780 ROBRRFFHSKFULV-OAQYLSRUSA-N 433.943 5.447 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)Nc2ccc(C)cc2C)c(=O)cc1C 1870090765 BYAFEYJMJKMOHH-UHFFFAOYSA-N 426.601 5.932 30 10 IKEE CCCCCCCCCCn1cc(OCC(C)C)c(=O)cc1CN1C[C@H](C)O[C@H](C)C1 1870437037 LGKIHKJWIGTZRS-ZRZAMGCNSA-N 434.665 5.633 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc(OC(=O)CCc3ccc(Cl)cc3)c2C)C1=O 1871368439 GYEDDJYFDDQJSX-MOSHPQCFSA-N 438.932 6.173 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc3C2=O)cc1 1871376410 JSRAWBFPYZBEHA-YSMPRRRNSA-N 436.463 5.613 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2cccs2)C3=O)cc1Cl 1871401598 HXDBVHLFIYZOJU-LQFJMUIISA-N 439.920 5.732 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2cccs2)C3=O)cc1 1871406133 ICSPBFRCVGDJSC-MNAFEPAFSA-N 435.501 5.087 30 10 IKEE Cc1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccncc2)C3=O)c1C 1871413408 FVOBCIKXILXDGT-PVFDWLMNSA-N 428.488 5.029 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4cccc(C)c4C)cc(C)c3C2=O)o1 1871413579 KQTAIPPPLAHBDA-NVIPHDJISA-N 431.488 5.535 30 10 IKEE COc1ccc(OCCCOc2cc(C)c3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871415695 OQNIRLNUDOIHLY-IWIPYMOSSA-N 434.463 5.607 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCCC(=O)Nc4ccc(C)cc4)ccc3C2=O)cc1 1871430501 DGBSZSYLIUOQRU-IWIPYMOSSA-N 429.472 5.027 30 10 IKEE CC(=O)c1cccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2cccc(C)c2)C3=O)c1 1871438476 AJDPTXDODJIQMJ-MSXFZWOLSA-N 441.483 5.140 30 10 IKEE Cc1ccc2oc(=O)cc(COc3ccc4c(c3C)O/C(=C\c3ccc(C)o3)C4=O)c2c1 1871460908 KZDPYZTWZAUXLB-FMCGGJTJSA-N 428.440 5.506 30 10 IKEE C=CCN([C@@H](CC)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872451093 SRJOUVIEVWJPHK-QFIPXVFZSA-N 428.598 5.021 30 10 IKEE N#C[C@@H](C(=O)/C=C/c1cccc(Cl)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872759332 KTICNPGWZYDEQV-PZVJUEDKSA-N 440.955 7.020 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)n2)cc1 1872765691 VBEPGSIQAQESQP-NTKDMRAZSA-N 446.616 6.920 30 10 IKEE N#C[C@H](C(=O)COc1ccc(Cl)cc1Cl)c1nc(-c2ccc(F)cc2F)cs1 1872766109 CCYVESIAJBAHDK-CYBMUJFWSA-N 439.270 5.650 30 10 IKEE COc1c(Cl)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)c2ccnc(Cl)c2)n1 1872778137 DYRYVOGQQZECGL-GFCCVEGCSA-N 438.723 5.664 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@@H](C#N)C(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)n2)c1C 1872780300 FFQWLXVMYDOXPL-SFHVURJKSA-N 448.548 5.508 30 10 IKEE C=CCN(CC=C)c1nc(Nc2cc(C)ccc2OCC)c2cnn(-c3ccccc3)c2n1 1873481792 PTAZFROPFXZLJP-UHFFFAOYSA-N 440.551 5.445 30 10 IKEE CCCCOc1ccc(/C=N/Nc2cnn(-c3ccccc3Cl)c(=O)c2Cl)cc1 1873529702 XLXSMOYJEFZRPA-ZMOGYAJESA-N 431.323 5.164 30 10 IKEE C=CCn1c(C(=O)NCCCCc2ccccc2)cc2c(N(CCC)CCCC)ncnc21 1873594579 XNRRPNPXLXSWIL-UHFFFAOYSA-N 447.627 5.387 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccc(C)cc1 1874212947 NEIXTJOPXWLTSN-MFKUBSTISA-N 441.000 5.802 30 10 IKEE CCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccc(F)cc1F 1874244604 KLKKVTOZYFQWCF-VULFUBBASA-N 430.568 5.700 30 10 IKEE Cc1ccc(CSc2nnc(COCc3ccccc3)n2/N=C/c2ccccc2)cc1 1874352414 IYEINJPXUQRIOF-WGOQTCKBSA-N 428.561 5.478 30 10 IKEE Cc1ccc(/C=N/n2c(Cc3ccc(C)cc3)nnc2SCCc2ccccc2)cc1 1874389966 NZCXLSOGDXNNBR-ZXVVBBHZSA-N 426.589 5.703 30 10 IKEE COc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccccc2C)cc1 1874398892 SSJHXADGHSPUSB-OVVQPSECSA-N 442.588 5.555 30 10 IKEE CC(C)COC(=O)CSc1nnc(CC2CCCCC2)n1/N=C/c1cccc(Cl)c1 1874408811 QWLVWBAVPIWXJB-ZMOGYAJESA-N 449.020 5.228 30 10 IKEE Clc1ccc(CSc2nnc(Cc3cccs3)n2/N=C/c2cccs2)cc1 1874413749 JHMCJDDZFBTROS-CIAFOILYSA-N 431.011 5.820 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(F)cc1 1874440305 SRYFKDQWXMDWLC-JVWAILMASA-N 432.568 6.334 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(N(CC)CC)cc1 1874476240 GRFQUCPAHITLEH-YZSQISJMSA-N 439.604 5.781 30 10 IKEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3cc(C)ccc3C)nnc2C(C)(C)C)cc1 1874481508 ZEFSACKTLZSZEE-AFUMVMLFSA-N 435.597 5.114 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2ccccc2C)cc1C 1874488882 OBGURIZUDVTWII-AFUMVMLFSA-N 435.597 5.015 30 10 IKEE C=C(C)CSc1nnc(CC(C)C)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874489968 UHJVVUIPSJKSSL-MFKUBSTISA-N 434.565 5.246 30 10 IKEE C=CCSc1nnc(CCC)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1874508707 REPMECDUYWXCKB-BUVRLJJBSA-N 426.973 5.623 30 10 IKEE CC(C)c1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1cccc2ccccc12 1874509000 GMOBJANCCSRQBD-MFKUBSTISA-N 429.549 5.168 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1cccc(OCC)c1 1874509722 RDRPCRMAHLKQHN-ZMOGYAJESA-N 432.952 5.596 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CC2)cc1O 1874520747 NPSBWINQBWJJAH-AFUMVMLFSA-N 430.533 5.197 30 10 IKEE CCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874524576 VGHOBCSOUOBLNV-FOKLQQMPSA-N 448.379 5.069 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(S)nnc2Cc2ccc(Cl)cc2)cc1OC 1874564776 RZGJQNRUOKTDCW-BUVRLJJBSA-N 444.988 5.271 30 10 IKEE Cc1ccc(OCc2nnc(S)n2/N=C/c2cccc(OC(C)C)c2)c(C(C)(C)C)c1 1874568980 ANXPCYRINQTLTD-AFUMVMLFSA-N 438.597 5.421 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Cl)ccc1OCC(=O)N[C@@H](C)c1ccccc1 1874576822 HUGFDOWVMPOKTO-SZEUEKNRSA-N 449.934 5.501 30 10 IKEE O=C(/C=C/c1c(OCc2ccccc2)ccc2ccccc12)c1ccc(Cl)c(Cl)c1 1874578922 NDZJOYDXHXBSCK-WYMLVPIESA-N 433.334 7.622 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)c1OCc1ccc(C)cc1 1874587167 YTWXRKWCIPUTAN-VAWYXSNFSA-N 448.990 7.366 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccccc2OCc2c(Cl)cccc2Cl)c1C 1874587201 ZWXOJKXFWOFKEA-OUKQBFOZSA-N 439.382 7.702 30 10 IKEE Cc1ccc(C(=O)/C=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)cc1C 1874588533 RFUQHJWIIVKRKT-CCEZHUSRSA-N 437.495 6.840 30 10 IKEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1OCC 1874606590 WIRGCTWCSBJZBO-WEVVVXLNSA-N 436.335 5.193 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc3ccccc23)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 1874610891 QRXPCGARIUEPMN-RIYZIHGNSA-N 443.886 6.877 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1c(C)cccc1C 1874616579 IWIUAQOBCZKFQA-GXDHUFHOSA-N 429.516 5.534 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(OC)ccc2OC)ccc1OCCc1ccccc1 1874619193 ODCIRAQBTBWQHO-JLHYYAGUSA-N 432.516 5.620 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1Cl)Nc1ccccc1 1874620517 FKNYBRQPNMMYEC-RMKNXTFCSA-N 449.890 5.025 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc(Br)c1OCC 1874626776 WFEYKLDGVDSSKL-CSKARUKUSA-N 433.342 5.768 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OCc1ccccc1Cl 1874627511 NLSNTYCPEPASLD-YRNVUSSQSA-N 428.862 6.492 30 10 IKEE Cc1ccc(COc2ccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)cc2[N+](=O)[O-])cc1 1874629036 JFZGDTQFLLBJSY-ZRDIBKRKSA-N 429.516 6.612 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc4nc(C)c(C)nc4c3)c2)cc1C 1874714434 VZFHWPBWXGYISI-UKTHLTGXSA-N 436.511 5.979 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(OC)c1OC(=O)c1cccc(F)c1 1875101049 HNQNYSWHHLLUQU-NTCAYCPXSA-N 444.502 6.241 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2)c(C(C)(C)C)c1 1875127454 FXPQHTOAGHOQRH-DTQAZKPQSA-N 428.528 6.173 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1Cl 1875128205 SHEPIAXVXZLQAE-JXMROGBWSA-N 427.283 6.117 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)CC1CCCCC1 1875131915 VHWPZDRMQKGRSJ-ACCUITESSA-N 436.548 6.093 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1OC 1875146720 HCVWMZHODZMZHT-SOFGYWHQSA-N 430.884 5.112 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 1875148843 NXTKPWOQRGVWRO-UBKPWBPPSA-N 429.472 6.008 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)c(F)c2)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 1875162913 WOULKANFLXSPBP-LREOWRDNSA-N 445.324 5.267 30 10 IKEE CCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC 1875163495 NLWHCTCTDGZZLL-CMDGGOBGSA-N 430.928 6.001 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc(Cl)c1OC(=O)C1CCCC1 1875169371 JMOAVKYXHRQXTO-MDZDMXLPSA-N 442.939 5.966 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)c1cccs1 1875176125 XPMUHFXAIVORTH-VQHVLOKHSA-N 426.921 6.142 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)c3ccccc3)c(Cl)c2)cc1C 1875188095 NTDWPUBEUFQUQO-FMAYLGMYSA-N 448.946 6.571 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C)c(OC)cc3C)cc2OC)cc1 1875191691 ZDPFMAARQCCONY-UKTHLTGXSA-N 444.527 5.998 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(C(C)C)CCN(C(=O)OC(C)(C)C)C1 1922090594 AOBUWWMIRKBSLW-JYFHCDHNSA-N 430.633 5.411 30 10 IKEE C[C@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1938770697 GVNQGUFEWGMDKZ-IVZQSRNASA-N 435.952 5.373 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@]1(C#N)C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 1946007033 LFGMPFFASFNYMV-ZZYHAFTGSA-N 437.609 5.575 30 10 IKEE CC[C@@H]1N(C(=O)OC(C)(C)C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1991578993 MSAJRQKDCUNOJE-JTSKRJEESA-N 435.952 5.373 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C1 1997235157 YJHNSABPZJTZHK-GAJHUEQPSA-N 449.617 5.415 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2020301582 YUOHCVKAYOLBBB-KOSHJBKYSA-N 435.609 5.486 30 10 IKEE Cc1ccc(Oc2ccc(NC(=O)C3CCN(C=CC(=O)C(F)(F)F)CC3)cc2)cc1 2040445041 YDXBKJUYNZEAEG-UHFFFAOYSA-N 432.442 5.083 30 10 IKEE Cc1c(Cl)cc(CC(=O)C2=CC[C@H](NC(=O)OC(C)(C)C)C2)cc1Br 2048645705 NQQNVJHFCCUADG-AWEZNQCLSA-N 428.754 5.136 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2ccc(NC(=O)OC(C)(C)C)nc2)cc1 2050053543 KZXKGNLKHWUSAH-IBGZPJMESA-N 438.528 5.743 30 10 IKEE COc1ccc(C(=O)Nc2cccc(C=CC(=O)c3ccc(C4CCCCC4)cc3)c2)cc1 2053612132 XTFSPLAWAJLSRN-UHFFFAOYSA-N 439.555 6.891 30 10 IKEE CCOC(=O)c1c(N)sc(C=NNc2ccc([N+](=O)[O-])cc2)c1-c1ccc(Cl)cc1 2059862192 AZCWKKCCJPLZHP-UHFFFAOYSA-N 444.900 5.182 30 10 IKEE Fc1cccc(C(F)(F)F)c1-c1c(C(F)(F)F)nn(C2CCC2)c1Br 2080761112 BNHWOLDWWZZLJQ-UHFFFAOYSA-N 431.149 6.214 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc1 2094883955 BAJQJGLGFFQPCS-JBNMYPGFSA-N 447.579 5.526 30 10 IKEE CC1(NC(=O)OC(C)(C)C)CCC(Nc2cc(Br)cc(F)c2C#N)CC1 2107445511 XKXCSMVEGAMCDT-UHFFFAOYSA-N 426.330 5.098 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NC)c2ccc(Cl)c(Br)c2F)C1 2126683883 DCUYQQXETSZELH-MRXNPFEDSA-N 447.776 5.363 30 10 IKEE C=C([C@@H](NCCC)[C@@H](O)c1cc(Br)c(Br)s1)C(C)(C)C 2152976734 JVYCZSLNQADMOI-OLZOCXBDSA-N 425.230 5.277 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCCC[C@@]12CCNC2 2156247264 JCEMMYDAABLGRB-LEWJYISDSA-N 434.378 5.007 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(CNc1cc(Br)c(C#N)cc1F)C2 2162383468 NGPGLHALPMQAJK-GJZGRUSLSA-N 438.341 5.050 30 10 IKEE COc1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)ccc1F 2166599127 DZRWSXPUKAPURS-QGZVFWFLSA-N 435.293 5.603 30 10 IKEE C=CC1(C[C@H](NCCC)c2cc(I)ccc2Br)CCC1 2168029380 VJRUJZSZQWKWDT-INIZCTEOSA-N 448.186 5.841 30 10 IKEE C#Cc1cccc(N(C)C(=O)c2cc(Br)cc(NC(=O)OC(C)(C)C)c2)c1 2180043756 LCYUQFAULQCLBS-UHFFFAOYSA-N 429.314 5.054 30 10 IKEE C[C@@H](c1cccs1)N(Cc1ccccc1)Cc1cscc1B1OC(C)(C)C(C)(C)O1 2214601256 DZSSZLKMSFFVNC-SFHVURJKSA-N 439.455 5.872 30 10 IKEE C[C@H]1CC=C(C(=O)c2sc(Br)c(Br)c2Br)CC1 2216491938 FXQWDXARFUNKND-LURJTMIESA-N 442.998 5.965 30 10 IKEE C=C(C)C[C@H](NCCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2229117191 WUVVLDWOHVTAKW-OALUTQOASA-N 425.411 5.219 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCC)c2ccc(Br)cc2Cl)C1 2230384767 SHIGDSVZXJAEMN-QGZVFWFLSA-N 443.813 5.614 30 10 IKEE CN[C@@H](C#Cc1ccccc1Br)c1cc(C)ccc1NC(=O)OC(C)(C)C 2235730197 OKRNAGFHZMQFCV-IBGZPJMESA-N 429.358 5.417 30 10 IKEE CC#CCCC[C@H](NCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237408031 ZIXBIAARXVCSIR-PMACEKPBSA-N 437.422 5.057 30 10 IKEE C=C(C)CC[C@@H](NCCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237422484 WIRPRLOWODBAHC-UXHICEINSA-N 439.438 5.609 30 10 IKEE C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)C1CC(B2OC(C)(C)C(C)(C)O2)C1 2247933303 UBQKXUITERWHFE-QHGAOEGBSA-N 425.403 5.710 30 10 IKEE C=C([C@@H](NCCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1)C(C)(C)C 2248463153 MOKCMANQOCWSPT-JOCHJYFZSA-N 430.633 5.411 30 10 IKEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N(Cc1ccccc1)[C@H](C)C(C)(C)C 2267231059 WXNRGYRZSHCEKU-HXUWFJFHSA-N 435.417 5.371 30 10 IKEE C=CC[C@]1(COc2ncc(F)cc2Br)CCCCN1C(=O)OC(C)(C)C 2272235115 XIDKCHRGCSAHCL-LJQANCHMSA-N 429.330 5.098 30 10 IKEE CCCC#CC[C@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2277011978 UOYMJENXGUGGNN-MHZLTWQESA-N 443.587 6.055 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CN[C@H]2CCCC[C@H]2C1 2279694216 KLILHZFZFJVGNF-UQASEVPWSA-N 434.378 5.005 30 10 IKEE C=CCCC1([C@H](NC)c2cc(Cl)c(Cl)cc2Cl)CN(C(=O)OC(C)(C)C)C1 2281045975 RBRRPGWHAPEXCJ-QGZVFWFLSA-N 433.807 6.111 30 10 IKEE CCCCCCC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 2294785497 JNMMIYWYYKPWFO-UHFFFAOYSA-N 430.248 7.252 30 10 IKEE Nc1ccc(C(=O)C(=Cc2cccc([N+](=O)[O-])c2)C(=O)c2ccc(-c3ccccc3)cc2)cc1 2297564837 ABQFHLASRNQIKH-UHFFFAOYSA-N 448.478 5.993 30 10 IKEE CCOc1c(Cl)cc(C=Nn2c(C)nnc2SCc2cccc(F)c2)cc1Cl 2318571212 FKZLUCFFGVYYBC-UHFFFAOYSA-N 439.343 5.606 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1COc2ccc3c(c2C1)OC(=Cc1ccc(Cl)cc1Cl)C3=O 2322145972 HVOXMRJCAFSKAJ-VLIAUNLRSA-N 444.358 6.340 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccccc1)O3)CN(C13CC4CC(CC(C4)C1)C3)CO2 2322238595 MRYILXIUTFHZFP-UHFFFAOYSA-N 427.544 5.732 30 10 IKEE Cc1c2c(cc3c1OC(=CC=Cc1ccccc1)C3=O)CN(Cc1ccc(Cl)cc1)CO2 2322305645 AKEQZZXXSFNEIJ-UHFFFAOYSA-N 443.930 6.173 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)NC2CCCCC2)cc1 2322456021 VSVCRCXZPYJUQZ-UHFFFAOYSA-N 427.928 5.072 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc([N+](=O)[O-])cc1 2322474765 QFWOLDWPWMDLAN-UHFFFAOYSA-N 444.915 5.172 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2cccc(Cl)c2)c1OCc1ccc(F)cc1 2322525050 PJYHYKAWJZAMMD-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2Br)C3=O)cc1 2322680271 ZSXGEQLAYDHAPT-UHFFFAOYSA-N 449.300 5.901 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(Cl)cc2C=CC(=O)c2ccc(F)c(F)c2)o1 2322781706 AKBJOSGMZCYTSW-UHFFFAOYSA-N 446.833 5.863 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCC(=O)OCC(C)C)ccc3ccccc23)c(C)c1C 2322818859 YBCFUCMRXDRCRL-UHFFFAOYSA-N 446.543 5.939 30 10 IKEE COc1cc(C=NNc2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1 2322922301 BIJACUCUQHMSRI-UHFFFAOYSA-N 439.353 6.100 30 10 IKEE CCOc1c(C=CC(=O)c2cc(Cl)ccc2OC)cc(Br)cc1OC 2323026609 DMDSYJJCMAEZJI-UHFFFAOYSA-N 425.706 5.415 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1OCC(=O)Nc1ccc(C)cc1 2323118386 MIRMOPMGCOHPGA-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE Cc1ccc(C)c(COc2ccc(C=CC(=O)c3ccc4ccccc4c3)cc2Cl)c1 2323396167 BOJBCDYTKOPFRR-UHFFFAOYSA-N 426.943 7.585 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc2c(c1)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2323720618 OMXVCYGFPYPMRD-UHFFFAOYSA-N 439.294 6.148 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OCC(=O)Nc1ccccc1C 2323816397 YYADQVZKZFTEHH-UHFFFAOYSA-N 441.527 5.646 30 10 IKEE CCOc1ccc(C=NNc2nc(-c3ccc(OC)cc3OC)cs2)c(OCC)c1 2323865923 ULAPLTHEZZOLOB-UHFFFAOYSA-N 427.526 5.071 30 10 IKEE COC(=O)c1ccc(COc2c(Cl)cc(C=CC(=O)c3ccc(C)cc3)cc2OC)o1 2323896074 JJEJBWPHDUWEIZ-UHFFFAOYSA-N 440.879 5.512 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2324220063 HUSHITPYPTWSFY-UHFFFAOYSA-N 434.963 7.121 30 10 IKEE C=CCOc1c(CC=C)cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1OC 2324288225 HESOQRTXZOVAQX-UHFFFAOYSA-N 426.512 6.677 30 10 IKEE Cc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1ccc(Cl)cc1)C2=O 2324412776 CQTCFXQGXWJPJF-QGZVFWFLSA-N 447.918 5.979 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OCc1nc(O)c2ccccc2n1 2324456038 NOBYGAGFKNJSNJ-UHFFFAOYSA-N 440.499 5.436 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc(C)cc3)c([N+](=O)[O-])c2)c(OC)c1 2324474030 CIBDOPXXSJSNGQ-UHFFFAOYSA-N 433.460 5.396 30 10 IKEE COc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3c[nH]c4ccccc34)cs2)c(OC)c1 2324672832 TYSSWFKGZKXTLI-GOSISDBHSA-N 429.501 5.198 30 10 IKEE CCc1ccc(NC(=O)[C@@H](CC)Oc2ccc3c(c2)OC(=Cc2ccc(C)o2)C3=O)cc1 2324816881 RBDRCCIVXUNVLD-JOCHJYFZSA-N 431.488 5.563 30 10 IKEE N#C[C@H](C(=O)C=Cc1ccccc1Cl)c1nc(-c2cc(Cl)ccc2Cl)cs1 2324834460 FOZWJLQJMHABJW-OAHLLOKOSA-N 433.747 6.660 30 10 IKEE Cc1c(OCC(=O)C(C)(C)C)ccc2c1OC(=Cc1cccc(Br)c1)C2=O 2324923031 HPXLWWZGBHBLOD-UHFFFAOYSA-N 429.310 5.368 30 10 IKEE CCCCCCOC(=O)COc1ccc2c(c1)OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2325027805 XOMCRBUZEXBXFR-UHFFFAOYSA-N 436.548 6.103 30 10 IKEE COc1ccc(C=C2Oc3cc(OCCC(=O)Nc4ccc(C)cc4)ccc3C2=O)cc1 2325220370 DGBSZSYLIUOQRU-UHFFFAOYSA-N 429.472 5.027 30 10 IKEE CCOC(=O)c1ccc(COc2ccc3c(c2)OC(=Cc2ccc(OCC)cc2)C3=O)o1 2325394825 UADPGGYCDBJJDC-UHFFFAOYSA-N 434.444 5.050 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)CCc3ccccc3OC)c2)cc1 2325704646 HNZGXXXRWOYSMA-UHFFFAOYSA-N 444.527 5.701 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C)c(C)c4)cc(C)c3C2=O)cc1 2325738876 DEPYBVXERHBRAI-UHFFFAOYSA-N 441.527 5.808 30 10 IKEE CCCOc1cccc(C=Nn2c(Cc3ccc(Br)cc3)nnc2SC)c1 2325926369 PCQHKIVRPCZIQH-UHFFFAOYSA-N 445.386 5.024 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1cccc(C)c1 2326074718 ARPASOHRUVVZTO-UHFFFAOYSA-N 426.973 5.412 30 10 IKEE CCCOc1cc(C=Nn2c(CCC)nnc2SCc2ccc(F)cc2)ccc1OC 2326251981 XZKGXXRQOUCXCM-UHFFFAOYSA-N 442.560 5.342 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1c(C)n(CC)c2ccccc12 2326357927 IWJXCUWKDFDLPX-UHFFFAOYSA-N 438.000 5.951 30 10 IKEE CSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1c(Cl)cccc1Cl 2326358192 MHXZXEJCDJWMBW-UHFFFAOYSA-N 449.407 5.817 30 10 IKEE CCCOc1c(C=Nn2c(CC)nnc2SCc2ccc(C)cc2C)cccc1OC 2326442329 RCFJVRGYEYEZJD-UHFFFAOYSA-N 438.597 5.429 30 10 IKEE CCCOc1cc(C=Nn2c(C)nnc2SCc2cccc(Cl)c2)ccc1OC 2326467598 DAEMAMUWVQYHDK-UHFFFAOYSA-N 430.961 5.212 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1N=Cc1cn(CC)c2ccccc12 2326637736 URNAIUVHNQBRPL-UHFFFAOYSA-N 439.588 6.143 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1cccc(OC)c1 2327363092 QVSOJCXKPMOXHJ-UHFFFAOYSA-N 436.581 5.369 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccc(C)cc3)n2N=Cc2ccncc2)cc1 2328562155 PGAZKCVDGSWKGT-UHFFFAOYSA-N 443.576 5.146 30 10 IKEE C=C(C)CSc1nnc(COc2cccc(C)c2C)n1N=Cc1ccc(OCC)cc1 2328846281 RTARDGMPBDWIQI-UHFFFAOYSA-N 436.581 5.423 30 10 IKEE Oc1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCc2cccc(F)c2)cc1 2329824471 TWBMEGKYFWMANR-UHFFFAOYSA-N 436.487 5.027 30 10 IKEE Fc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2N=Cc2ccc[nH]2)cc1 2329857877 PUKVXTFCSLNWMV-UHFFFAOYSA-N 425.920 5.164 30 10 IKEE Fc1cccc(C=Nn2c(COc3ccccc3)nnc2SCc2ccccc2F)c1 2329918956 YARXWHDCISALIX-UHFFFAOYSA-N 436.487 5.310 30 10 IKEE Cc1ccsc1C=Nn1c(SCc2ccccc2F)nnc1[C@@H](C)c1ccccc1 2330108392 BSTCCZYGXOZSAK-KRWDZBQOSA-N 436.581 6.113 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCCc2ccccc2)n1N=Cc1ccc(O)cc1 2330115045 XYRBSVDCXNMGSM-LJQANCHMSA-N 428.561 5.353 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SCCC)nnc2[C@@H](C)c2ccccc2)cc1 2330123108 IWLCNKUODUFDEP-FQEVSTJZSA-N 436.625 6.383 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccccn1 2330135662 POFBJRKOVPXJSC-QGZVFWFLSA-N 433.968 5.653 30 10 IKEE Cc1cccc(C=Nn2c(CCc3ccccc3)nnc2SCCc2ccccc2)c1 2330199863 OSPKJIGMTNTTJL-UHFFFAOYSA-N 426.589 5.589 30 10 IKEE Cc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCC(=O)Nc2ccccc2)cc1 2330225963 OYDDAMDMSMWQSK-UHFFFAOYSA-N 447.608 5.322 30 10 IKEE CSc1nnc(-c2ccccc2)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2330623270 ABYMFWVEUNQNNT-UHFFFAOYSA-N 434.952 5.782 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(OC)c1OC(=O)[C@H]1CCCO1 2330674827 QGBFHBYKEBBZBZ-RUZDIDTESA-N 442.511 5.557 30 10 IKEE CCCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccc(OC)c(C)c2)cc1OC 2330874458 VKSBOCIEENJGRK-UHFFFAOYSA-N 447.325 5.376 30 10 IKEE Clc1ccc(CSc2nnc([C@@H]3CCCO3)n2N=Cc2cccc3ccccc23)cc1 2330993428 JUAAEEJAEDEBRJ-QFIPXVFZSA-N 448.979 6.111 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3cccc(Br)c3)cc2)cc1 2330994134 UEDHCXBTDGBVRW-UHFFFAOYSA-N 435.317 5.802 30 10 IKEE COc1ccc(CCC(=O)Oc2c(OC)cc(C=CC(=O)c3ccccc3)cc2OC)cc1 2331165555 YGLAAFKHSISDKI-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)c1ccc([N+](=O)[O-])cc1 2331183105 MTVNXMOTHGAPOT-UHFFFAOYSA-N 443.455 5.447 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)c1ccc(C)cc1 2331214652 FQIYZCBDNKCWNV-UHFFFAOYSA-N 434.919 6.389 30 10 IKEE CCCCOc1ccc(C=Nn2c(CCOC)nnc2SCc2cccc(C)c2)cc1 2331254477 RGNPXIVYVNYSNQ-UHFFFAOYSA-N 438.597 5.129 30 10 IKEE CCOc1ccc(C=Nn2c(CC(C)C)nnc2SCc2ccccc2C)cc1OC 2331431904 CFLQZMJURYSAMN-UHFFFAOYSA-N 438.597 5.367 30 10 IKEE Cc1cccc(C=Nn2c(SCC(=O)Nc3c(C)cccc3C)nnc2C2CCC2)c1 2331510345 YFKAHROPGUCEAL-UHFFFAOYSA-N 433.581 5.084 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)COc1c(C)cccc1C 2331541461 NSYXFCKJDYLZOF-UHFFFAOYSA-N 434.463 5.332 30 10 IKEE Cc1cc(CNc2ccccc2OCc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2343585973 QPUHBOOWTCGHNQ-UHFFFAOYSA-N 429.369 5.485 30 10 IKEE CC1(C)CCCC[C@@]1(C=O)Cc1ccc(I)c(Br)c1 2349921369 SHYDOOOLPPRVHX-INIZCTEOSA-N 435.143 5.382 30 10 IKEE COc1cccc(COc2ccc3c(c2)O/C(=C/c2c(Cl)cccc2Cl)C3=O)c1 2401889 NIEVCZALFHGUEU-WSDLNYQXSA-N 427.283 6.197 30 10 IKEE O=C(/C=C\NNc1ccc(Cc2ccc(Cl)cc2Cl)nn1)/C=C\c1cccs1 12958569 VVLVYQFUFRTZEL-HZJYTTRNSA-N 431.348 5.148 30 10 IKEE CC(C)c1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(Cl)c(Cl)c2)C3)cc1 21220489 SVBIZNPVFQGXIY-ROUUACIJSA-N 428.359 6.121 30 10 IKEE CC(C)Oc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2OC(C)C)cc1 21236976 URZZHBNWJXOKMI-DENIHFKCSA-N 433.548 5.265 30 10 IKEE CCCn1cc(CN/C(=N/C(=O)c2cc(C)cc(C)c2)Nc2ccccc2OCC)c(C)n1 32972778 VAEKPQKVHCCFML-UHFFFAOYSA-N 447.583 5.015 30 10 IKEE N/C(=N\c1cccc(Cl)c1)SCc1ccc(/C=C\c2c(F)cccc2Cl)cc1 33363428 FJRLLHIMCVPUPX-QXMHVHEDSA-N 431.363 7.183 30 10 IKEE O=C1/C(=C/c2c(F)cccc2Cl)Oc2cc(OCc3c(Cl)cccc3Cl)ccc21 38320972 LCCZNUHXWOWHGG-FBHDLOMBSA-N 449.692 6.981 30 10 IKEE C=C(C)C(=O)N[C@@H](C)c1nc2ccccc2n1CCCCOc1ccc(Cl)c(C)c1 40191216 YVQKMOQAMNGDGM-SFHVURJKSA-N 425.960 5.611 30 10 IKEE C=CCc1ccccc1OCCCn1c(-c2ccc(Cl)cc2Cl)nc2ccccc21 40210918 CVGMAWVKRVJXCP-UHFFFAOYSA-N 437.370 7.208 30 10 IKEE Cc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/Nc1cccc(C(F)(F)F)c1)CCC2 40824043 PUBQTSFGIGKHBC-NDZAJKAJSA-N 441.453 6.320 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OCc4cc(C)ccc4C)c3C)C2=O)cc1OC 41433485 FZVXENDVXMXIOV-QFEZKATASA-N 430.500 5.824 30 10 IKEE CCCCCCCCCCCCOC[C@H](CO)OCCCCCCCCCCCC 100034583 XZBACIYYJPQCJG-MHZLTWQESA-N 428.742 8.222 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2ccc(O[C@H](C)CC)cc2)cc1 100266649 IFBKWMFDZVVKGM-LJQANCHMSA-N 442.625 6.340 30 10 IKEE CCCCCCCCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 102196681 HOHGFKOJFIRTPF-UHFFFAOYSA-N 438.612 7.260 30 10 IKEE CCCCCCCCCCn1c([C@@H]2CC(=O)N(c3ccccc3F)C2)nc2ccccc21 102202741 JEOIJJBNCNEIGZ-OAQYLSRUSA-N 435.587 6.837 30 10 IKEE CCOc1ccc(Sc2ccc(/C=C3\C(=O)c4ccc5ccccc5c4N3C)cc2)cc1 103681488 NYBVANKNKCBURS-NLRVBDNBSA-N 437.564 7.063 30 10 IKEE FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1c[nH]cn1 106883387 NYLVUEIJJQQDBW-UHFFFAOYSA-N 436.118 5.240 30 10 IKEE Sc1nnc(Cc2cccs2)n1/N=C\c1ccc(OCc2ccccc2)c(Cl)c1 169914011 OVPLLVJZJUTXPI-QRVIBDJDSA-N 440.981 5.334 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2cccc(C)c2C)c1 169933893 KWSZUNPTUIPAGU-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2OC)cc1 169942243 ZFTYVKZCYHTXKP-DEOSSOPVSA-N 427.500 5.349 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccc(O)cc1)c1cc2ccccc2o1 169961691 OSTSVZFQOOGEEK-JOCHJYFZSA-N 445.858 5.575 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(OC(C)C)cc1 169978901 LJRNGOFXTFWWOH-HSZRJFAPSA-N 439.527 5.690 30 10 IKEE CC1(C)OB(c2ccc(-c3ccnc(-c4ccc(C(F)(F)F)cc4)n3)cc2)OC1(C)C 170024304 OQBSIZCSUVSNHR-UHFFFAOYSA-N 426.247 5.129 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccc(F)cc2)c1 170060604 CJNPHXDHRMIWQR-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(O)cc1)c1ccc(Cl)c(Cl)c1 170132765 GGJDCBRRJCKYTI-FQEVSTJZSA-N 440.282 5.482 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@H]1c1ccc(C(C)(C)C)cc1 170149773 GFPGNXVBHFJELL-HSZRJFAPSA-N 449.591 5.988 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(Cl)c3)[C@@H]2c2cccs2)c1 170156608 ZSBJCBCBRCOEPK-IBGZPJMESA-N 444.339 6.146 30 10 IKEE COc1ccc(C2=C(Nc3cccc4ccccc34)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170159611 PUTOMFYPONQOGN-UHFFFAOYSA-N 445.478 5.117 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2cccs2)c1 170160345 JVSBRARPDYXEJX-LJQANCHMSA-N 425.893 5.198 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1cccs1 170161320 QBEYYFMMXRFKLJ-FQEVSTJZSA-N 439.920 5.501 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@@H]1c1ccccn1 170172249 AJKJJYZNTQQVHI-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@H]1c1ccccn1 170175433 RYESHZZSYKSTNG-QHCPKHFHSA-N 442.515 5.107 30 10 IKEE Cc1ccc(-c2nc(C3=C(N)N(c4cccc5c(O)cccc45)CC3=O)sc2C)cc1 170181447 DUFIVGMPNAFREN-UHFFFAOYSA-N 427.529 5.002 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1ccncc1 170206432 IBRUWWPJIJHDAS-QFIPXVFZSA-N 444.874 5.573 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2ccccc2)c(C)c1 170228244 MOWXMRHOKQSYNX-VWLOTQADSA-N 439.511 5.411 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccc2)cc1C 170228903 KNTIIRDGMVHYDK-RUZDIDTESA-N 441.527 5.875 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1ccccc1 170228932 LUPRMOVTUQZZTR-QHCPKHFHSA-N 443.886 6.178 30 10 IKEE Cc1nc(-c2ccccc2)sc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccccc1 170234118 RCBXZNPEGLEYSE-NRFANRHFSA-N 444.556 5.639 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccc(F)cc1)c1ccc2ccccc2c1 170241530 GBNWZSXGRBEKPA-DEOSSOPVSA-N 438.458 5.152 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@H]1c1ccc(C(C)C)cc1 170245142 OIMJYPGKTYMXBR-JOCHJYFZSA-N 441.955 5.850 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(C(C)C)cc1 170245944 ISJYVMOCSSSGHE-HSZRJFAPSA-N 435.520 5.307 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cc(C)cc(C)c3OC)=C(O)C(=O)N2C2CCCC2)cc1 170268530 QYPACJDTUOJVQU-QHCPKHFHSA-N 433.548 5.395 30 10 IKEE CC(C)C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1cccc(OCc2ccccc2)c1 170457445 UZSWETLYHDDSPE-DEOSSOPVSA-N 427.500 5.391 30 10 IKEE Cc1ccc(NC(=O)c2c(N=Cc3ccc4c(c3)OCO4)sc3c2CCCC3)cc1C 254487115 RCUVLSYRXVVRLZ-UHFFFAOYSA-N 432.545 5.975 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2c(C)[nH]c3ccccc23)cc1 526487265 WFFAOEXYGHCLDE-VWLOTQADSA-N 435.483 5.414 30 10 IKEE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@@H]1c1cccs1 526492525 ZUWYLYQFYINKPI-OAQYLSRUSA-N 432.501 5.084 30 10 IKEE C=CCN(CC=C)C(=O)Nc1cccc(C(=O)NC(c2ccccc2)c2ccccc2)c1 586650962 XHCDCYAMGWNECK-UHFFFAOYSA-N 425.532 5.412 30 10 IKEE CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@H](C(=O)/C=C/c5ccccc5)[C@@]4(C)CC[C@@H]32)C1 642772536 FPGBQRAYOLMBRS-VDVQYPRPSA-N 446.631 6.780 30 10 IKEE C[C@H]1N(Cc2ccccc2)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 698888944 BEJGBDLJWIITHI-KOSHJBKYSA-N 425.960 5.638 30 10 IKEE C[C@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)CN1C(=O)OC(C)(C)C 710727849 WIVNBCQFJIPFLH-UUOWRZLLSA-N 435.609 5.628 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Cl)c1Br)NC 719520977 RGGMOCINEWXUDF-CVEARBPZSA-N 431.802 5.093 30 10 IKEE C=CCC1([C@@H](C[C@@H](C)COCc2ccccc2)NCCC)CN(C(=O)OC(C)(C)C)C1 722941730 VXCYHTMCPFZBBA-FYYLOGMGSA-N 430.633 5.411 30 10 IKEE CCCCCCCCOc1ccc(N=Cc2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 1084262585 GLAINVNODBHFLC-UHFFFAOYSA-N 437.584 7.075 30 10 IKEE CCc1ccc(N=C2S/C(=C\c3ccccc3Cl)C(=O)N2c2ccc(CC)cc2)cc1 1084316465 AQBDILCMMRMSCZ-AIMMPNMZSA-N 447.003 7.273 30 10 IKEE COc1ccc(/N=C2/S/C(=C/C=C/c3ccco3)C(=O)N2c2ccc(OC)cc2)cc1 1614973989 DDPDOTMKVXESKA-BEDYBJSNSA-N 432.501 5.662 30 10 IKEE CC(=C\c1ccccc1)/C=C1/S/C(=N/N=C/c2ccc(O)cc2)N(Cc2ccco2)C1=O 1615300560 GWPCDCHUSNSEHY-LOZFHOQXSA-N 443.528 5.438 30 10 IKEE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)C(=NNc2ccccc2)CC(C)(C)C3)c1 1772729528 SPXACEGUGKSMHT-UHFFFAOYSA-N 444.575 7.028 30 10 IKEE C/C(C=NN=C1S/C(=C\c2ccc(O)cc2)C(=O)N1Cc1ccco1)=C/c1ccccc1 1772759486 RYZFYQVDBCMFPR-ZXESJXJZSA-N 443.528 5.547 30 10 IKEE CCCCCCCOc1cccnc1NC(=O)CCCOc1ccc(Cl)cc1Cl 1858741477 SJBBHHBQOMGKEZ-UHFFFAOYSA-N 439.383 6.535 30 10 IKEE C[C@@H]1Cc2ccccc2N1C(=O)Oc1cccc2c(NC(=O)c3cccc(C#N)c3)cccc12 1858779969 ILKMSPIUGPJZRX-GOSISDBHSA-N 447.494 5.914 30 10 IKEE Cc1ccc(CCCC(=O)Nc2cccc3c(OC(=O)c4cccc(C#N)c4)cccc23)cc1 1858926741 MHRRWZZZDRIANF-UHFFFAOYSA-N 448.522 6.201 30 10 IKEE N#Cc1c(NC(=O)c2cc3cc(Cl)ccc3o2)oc(-c2ccccc2)c1-c1ccccc1 1859743781 ISIUPXYUJSIYEM-UHFFFAOYSA-N 438.870 7.137 30 10 IKEE C=CCN(C(=O)COc1ccc(Cl)cc1Cl)C1CCN(Cc2ccccc2)CC1 1860027916 SNMMNYCGKFZWKR-UHFFFAOYSA-N 433.379 5.051 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc(NC(=O)c2cccc(C#N)c2)cc1 1860159502 CHDAGTJWOPBFLF-SFHVURJKSA-N 427.504 5.087 30 10 IKEE CCCCCCCCNC(=O)[C@](C)(CC)NC(=O)c1c(Cl)ccc(Cl)c1OC 1861149807 XQWZVPYZRNDODI-NRFANRHFSA-N 431.404 5.377 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)c1ccc(F)c(F)c1F 1861791208 VDUZLBFYQKEYFA-GOSISDBHSA-N 446.579 5.212 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl 1861838357 JFYRHKNIFLUPAB-HXUWFJFHSA-N 437.968 5.110 30 10 IKEE CCCCCCCCCCNC(=O)CCCOc1ccc(CC)cc1Br 1861876600 HJMDZXADNOFSFO-UHFFFAOYSA-N 426.439 6.427 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(C)cc1 1862400956 QIQFKTKNLOEWDJ-RDGATRHJSA-N 449.591 6.249 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1cccc(F)c1 1862413898 NDBBARONFUCZHK-AVRDEDQJSA-N 445.481 6.041 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc2cc[nH]c2c1)c1cccc(Cl)c1 1862446332 PUVPDMMGUFTQLC-HSZRJFAPSA-N 442.902 5.600 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(C(C)(C)C)cc1 1862461521 HGPUZQURNFSDRP-OAQYLSRUSA-N 445.481 5.780 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2[C@H](C)CC)c1 1862461806 NPGXWNPECXUDJX-ASSNKEHSSA-N 447.453 5.270 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862476441 AAYDGAOKLCOTJL-DNVKUUNQSA-N 431.576 6.275 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2cccc3ccccc23)cc1 1862481164 YFPLKDHLOJZRLH-GJQIQAERSA-N 439.555 6.305 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cccc(OC)c1 1862488559 CDIQGDFSKIXKPD-SQJMNOBHSA-N 449.591 6.249 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccccc1F 1862502095 QYYHHAXGUBGGQC-QHCPKHFHSA-N 449.453 5.060 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@H]1c1ccccc1 1862513761 DAHPUGLZYTYTRZ-RCZVLFRGSA-N 449.591 6.413 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 1862536740 GISQVOIKICDFMS-DEOSSOPVSA-N 433.592 6.171 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862539559 YNEZCLMATRBQDY-UUOWRZLLSA-N 435.564 5.805 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2[C@@H](C)CC)c1 1862550101 CTVQSUYRDPCDHZ-AVRWGWEMSA-N 447.575 5.731 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2ccc(Cl)cc2)c1 1862558268 VMGQLUPTHMHDTE-HSZRJFAPSA-N 446.934 5.133 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2cccc(C)c2)cc1F 1862636499 IRXQOXDSVCWBAQ-XMMPIXPASA-N 445.490 5.230 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1F 1862644421 KOOJDQSOJNCBLB-OAQYLSRUSA-N 425.500 5.119 30 10 IKEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccccc1 1862660349 KZWSTDRPMNZKAH-XMMPIXPASA-N 434.580 5.120 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cccs2)cc1 1862677673 ILCLDRQQEGCYDQ-QFIPXVFZSA-N 449.547 5.963 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccccc1C 1862722604 VHMSPJZKYDETCH-KBMIEXCESA-N 425.528 6.039 30 10 IKEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccc(Cl)c1 1862725749 QYORYPNJFGMGDS-QHCPKHFHSA-N 447.918 5.232 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(OC)cc1 1862725944 VJNNHJTTZYXLQS-DEOSSOPVSA-N 425.484 5.127 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)cc1 1862736884 PQDNPDJGMJPRNY-QGCDCVKKSA-N 434.492 5.060 30 10 IKEE CCOc1ccccc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(Cl)cc2)C1=O 1862790606 WLSSWIIHODVJTH-UHFFFAOYSA-N 443.890 5.007 30 10 IKEE CCCOc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccccc3C)C2=O)cc1 1862975585 LTDHNFMVRKEJLF-UHFFFAOYSA-N 437.499 5.052 30 10 IKEE Cc1cc(C2=C(Nc3ccc(C)c(Cl)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)ccc1F 1863093651 ZATPOGWDXWSWMJ-UHFFFAOYSA-N 445.881 5.364 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(CC)cc2)=C(c2ccccc2OC)C1=O 1863423878 KGDUMXHXAWVKQY-UHFFFAOYSA-N 434.580 5.810 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(OCC)cc2)C(=O)N([C@H](C)CC)C1=O 1863569597 BDECTCOGZGEEMY-HXUWFJFHSA-N 428.617 5.694 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCN(C)C)=C(c2ccc(C)c(C)c2)C1=O 1863606752 MPTRCUVZVLGTLP-UHFFFAOYSA-N 441.660 5.065 30 10 IKEE C=CCOc1ccccc1/C=C1/C(=O)N(c2ccc(Br)cc2)N=C1CCC 1865666746 QIFSITWZBLBYTK-XDJHFCHBSA-N 425.326 5.600 30 10 IKEE N#Cc1c(NC(=O)/C=C/c2ccc(OCc3ccccc3Cl)cc2)sc2c1CCCC2 1865902702 DWAQGYNEXHFXJB-SDNWHVSQSA-N 448.975 6.383 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1ccc2c(c1)C(=O)NC2=O 1866029744 FBRZDYOAQRJAOE-UHFFFAOYSA-N 428.617 6.770 30 10 IKEE CCCC[C@@H](NC(=O)C[C@H](CC(C)C)c1ccc(F)cc1)C(=O)Nc1cccc(C#N)c1 1867100235 RNWGFRFSOXGWSS-XUZZJYLKSA-N 437.559 5.531 30 10 IKEE Cc1ccc(-c2nc(Nc3ccc(C#N)cc3)cc(N3CCN(CC(C)(C)C)CC3)n2)cc1 1868329304 AEAYIRKKYNRZEE-UHFFFAOYSA-N 440.595 5.235 30 10 IKEE CCCCCCCCCCn1cc(C(=O)N[C@H](C)c2ccc(OC)cc2)c(O)cc1=O 1870118921 VPQHMIMSXGQEEG-LJQANCHMSA-N 428.573 5.194 30 10 IKEE Cc1ccc(OCC(=O)Nc2c(C#N)nnn2-c2cccc(C(C)(C)C)c2)c(C(C)(C)C)c1 1870145427 ZJSQPHSTLIVKEO-UHFFFAOYSA-N 445.567 5.060 30 10 IKEE Cc1ccc(SCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2C[C@@H]2CCCO2)cc1 1870233499 SCQDUJKCBIINLA-QHCPKHFHSA-N 446.572 5.079 30 10 IKEE C=CCOc1cn(Cc2ccc(C)cc2)c(CSCCc2nc3ccccc3[nH]2)cc1=O 1870244661 BTSNNRLXHVAIPU-UHFFFAOYSA-N 445.588 5.122 30 10 IKEE CCCCCCCCCCn1cc(OCCCCC)c(=O)cc1CN1CCN(C)CC1 1870678666 GOGZGEQDKIKSHQ-UHFFFAOYSA-N 433.681 5.305 30 10 IKEE CCCCCCCCn1cc(OCC)c(=O)cc1CNc1ccc(N2CCCCC2)cc1 1870788677 QIADBEOQEBRYEE-UHFFFAOYSA-N 439.644 6.210 30 10 IKEE CCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1cccc(C(C)(C)C)c1 1871251674 QOYMPBBYWQKHLF-UHFFFAOYSA-N 429.564 5.619 30 10 IKEE CCCCCCCCCCN=c1nc2c(cnn2C)c(Nc2cccc(SC)c2)[nH]1 1871298597 CERZMHBZWFLCNR-UHFFFAOYSA-N 426.634 5.803 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc(OC(=O)C(Cl)(Cl)Cl)c2C)C1=O 1871365995 MRONSQVRGBZUAH-YBEGLDIGSA-N 441.694 5.286 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OC(=O)Cc4ccc(Cl)c(Cl)c4)ccc3C2=O)c1 1871376668 BZNAMHFGNCGRQY-JJFYIABZSA-N 439.294 6.066 30 10 IKEE Cc1cc(OCCCc2ccccc2)cc2c1C(=O)/C(=C/c1ccc(Cl)c(Cl)c1)O2 1871399675 PKAGNDBCWWFKDI-UCQKPKSFSA-N 439.338 6.930 30 10 IKEE Cc1c(O[C@H](C)C(=O)Nc2ccc(F)cc2)ccc2c1O/C(=C\c1ccccc1F)C2=O 1871400384 AHLXUHSPRYYHEL-VUZLNAKASA-N 435.426 5.295 30 10 IKEE O=C1/C(=C/c2c(F)cccc2Cl)Oc2cc(OCCOc3ccccc3F)ccc21 1871417955 FPERJAUPCZPMBB-XKZIYDEJSA-N 428.818 5.692 30 10 IKEE CCCC[C@@H](Oc1ccc2c(c1C)O/C(=C\c1ccc(Br)cc1)C2=O)C(=O)O 1871422931 IVXJZJAKWSSWEH-GEBKJHSDSA-N 445.309 5.396 30 10 IKEE CCCCCCCCCCN=c1nc(N(CC)CC)[nH]c(=Nc2cccc(C)c2C)[nH]1 1871594337 NBVLJWDRJGFYSM-UHFFFAOYSA-N 426.653 5.475 30 10 IKEE C=CCN([C@H](CCC)C(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1cccs1 1871942027 IEGIBRHXPHMHQT-MRXNPFEDSA-N 447.409 5.039 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1cccc(F)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1871971584 IWPFSBPRAJDCAL-JOCHJYFZSA-N 446.588 5.125 30 10 IKEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1cccs1 1872012880 XVKRHFMCNNVAIM-FQEVSTJZSA-N 448.654 5.276 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1cc(C)ccc1C 1872065226 RAGUSHSBZAEPGE-JOCHJYFZSA-N 446.588 5.125 30 10 IKEE C=CCN([C@H](CC)C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)S(=O)(=O)c1cccs1 1872327671 RNJHXCDXULAJHI-OAQYLSRUSA-N 448.654 5.589 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)[C@H](C)CC)S(=O)(=O)C1CC1 1872339730 UNCCMBVVNYQHTM-NTKDMRAZSA-N 448.673 5.657 30 10 IKEE C=CCN([C@@H](C(=O)Nc1cccc(C)c1C)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 1872515396 SMOWQFHTUOCIAW-RUZDIDTESA-N 448.588 5.169 30 10 IKEE CC(C)c1ccccc1O[C@@H](C)C(=O)[C@H](C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1872760110 HODYVCGVZVVZKP-KXBFYZLASA-N 435.505 5.485 30 10 IKEE COc1ccc(OC)c(-c2csc([C@H](C#N)C(=O)c3ccc(OCC(C)C)cc3)n2)c1 1872770680 BZUDBUQZVFLIAG-HXUWFJFHSA-N 436.533 5.352 30 10 IKEE CC(C)c1ccccc1O[C@@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc(C(C)(C)C)cc2)cs1 1872773055 JZMDZMLJAXPUNH-PGRDOPGGSA-N 446.616 6.875 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccc(C(C)C)cc3)n2)c1C 1872781278 RGGVGEAHLHJLOH-NZQKXSOJSA-N 446.616 6.811 30 10 IKEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3c(Cl)ccc(Cl)c3Cl)n2)cc1C 1872783117 RRPGAQMPOPPGRM-ZDUSSCGKSA-N 435.763 6.877 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)CCOc3ccccc3)n2)c(OCC)c1 1872783484 ARXFRXOANSWTII-FQEVSTJZSA-N 436.533 5.253 30 10 IKEE Cc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1 1872785348 LBXZRHJTZZXRKF-HSZRJFAPSA-N 446.616 6.760 30 10 IKEE COc1c(Cl)cc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(F)c(C)c3)n2)cc1Cl 1872785362 LIOSTLQBTYCYKR-AWEZNQCLSA-N 449.334 5.992 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@@H](C#N)C(=O)c2ccc(OC(C)=O)cc2)n1 1872786274 GPVDCGJAEIPHKW-KRWDZBQOSA-N 440.908 5.196 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)Cc2ccc(Cl)cc2)n1 1872786820 SZNDOBNOOFZGLM-KRWDZBQOSA-N 431.344 5.853 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(CCCC)cc1)n2C 1873619820 OUUBAHIYQFSLPW-UHFFFAOYSA-N 435.616 6.336 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)oc2c1C 1873941998 KPBIRTMIMGNKSH-UHFFFAOYSA-N 445.437 5.565 30 10 IKEE COc1ccc(/C=N/n2c(CCCOc3ccc4ccccc4c3)nnc2SC)cc1 1874198318 WMMXAGRDEXMTBU-KOEQRZSOSA-N 432.549 5.056 30 10 IKEE Cc1cccc(CSc2nnc(Cc3cccc4ccccc34)n2/N=C/c2ccccc2)c1 1874270434 BATBSCHRKVXNLO-VUTHCHCSSA-N 448.595 6.505 30 10 IKEE Fc1ccc(Cc2nnc(SCc3ccccc3Cl)n2/N=C/c2ccccn2)cc1 1874379878 QVAADLQXEXXZDU-VULFUBBASA-N 437.931 5.231 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1ccccc1 1874392075 CLKLKMOHZSQMNH-VKELSTCCSA-N 441.560 5.043 30 10 IKEE Cc1ccsc1/C=N/n1c(SCc2ccc(F)cc2)nnc1[C@@H](C)c1ccccc1 1874394403 LSBGEXLWMRIMSM-YSGZUTGPSA-N 436.581 6.113 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2C2CC2)cc1 1874519862 OZQVIRWVRPMLAV-WGOQTCKBSA-N 433.625 5.793 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2)nnc1C1CC1 1874520380 KEUSKGDDGUUCBP-ZVHZXABRSA-N 426.973 5.772 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C2CC2)c1 1874522799 LSIYLAWXSAIKDE-DHRITJCHSA-N 444.963 5.911 30 10 IKEE CC(C)(C)c1nnc(S)n1/N=C/c1ccccc1OCc1ccc(Br)cc1 1874559491 VHQPBRCMXCSJAT-WSDLNYQXSA-N 445.386 5.088 30 10 IKEE COc1ccc(CCc2nnc(S)n2/N=C/c2cccc(Oc3ccccc3)c2)cc1 1874564055 LZEPQCBTGFNYCL-KOEQRZSOSA-N 430.533 5.035 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(Cl)cc2)c1OCC(=O)Nc1c(C)cccc1C 1874578528 SAVOIXRZSGBKEM-NTCAYCPXSA-N 449.934 5.879 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCc3ccc(C)cc3)ccc3ccccc23)cc1Cl 1874591184 XEFVXRBCUIQFFG-BUHFOSPRSA-N 442.942 7.285 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)cc1 1874604210 APVDCRVFZOWYRO-RIYZIHGNSA-N 433.935 6.124 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(Cl)c(OCC(=O)OCC(C)C)c(OC)c1 1874620198 NPJFOARUPBXUKV-BQYQJAHWSA-N 446.927 5.140 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OCc1cccc2ccccc12 1874623305 WCIPLLUHJTVVIA-FBMGVBCBSA-N 444.530 7.477 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OCc1cccc2ccccc12 1874625688 REIKVIQNVNFRDU-MHWRWJLKSA-N 426.487 6.853 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OCc2cccc3ccccc23)cc1 1874633634 NFJIZNZAUKVAHJ-NTCAYCPXSA-N 442.942 7.285 30 10 IKEE CCOc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c(C)c3)c2)cc1 1874695960 BBKSLDGWSRXXLV-GXDHUFHOSA-N 430.500 5.447 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(F)cc3F)c2)c(OC)c1 1874699820 OILLTBRIKMJLJA-IZZDOVSWSA-N 438.426 5.026 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(Cl)c(Cl)c3)c2)cc1 1874701115 BTQALUANFRSISN-AWNIVKPZSA-N 441.310 6.507 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2cccc(/C=C/C(=O)c3cc(C)ccc3OC)c2)c1 1874704449 PJCUMPPBQVOZOO-PKNBQFBNSA-N 446.499 5.065 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccc2c(c1)OCO2 1875122914 OTRILUMXYNULPF-VMPITWQZSA-N 436.847 5.193 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)c1cccc(F)c1 1875131384 VRWVPUSZQAGJHK-CSKARUKUSA-N 438.882 6.220 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3OC)cc2)cc1 1875137698 ZUZOJYKRBYOIBH-VCHYOVAHSA-N 444.527 5.918 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1Cl 1875158305 PFWGCFHTKIXGMY-KGVSQERTSA-N 443.301 6.567 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)CC1CCCCC1 1875160186 DZOCXAGMJDFPQU-JXMROGBWSA-N 448.893 6.399 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)CCc2ccccc2)cc1 1875161574 XAMZJSMWIYRNMJ-SFQUDFHCSA-N 442.555 6.427 30 10 IKEE Cc1cc(Nc2ccc(NC(=O)Nc3ccc(C#N)cc3)cc2)nc(NC2CCCCC2)n1 1891682377 DUNIMZREEWOXRO-UHFFFAOYSA-N 441.539 5.789 30 10 IKEE C=C(COCc1ccccc1)[C@@H](N)[C@@H](O)c1ccc(-c2cccc(Br)c2)s1 1922064050 BFKSDMMWLQLWGG-YADHBBJMSA-N 444.394 5.311 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)C(C)(C)[C@H](NC(=O)OC(C)(C)C)C(C)C 1922107653 NPQJNTYYBNFWKQ-DHIUTWEWSA-N 432.649 5.703 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@@]1(C#N)Nc1ccc(Br)cc1 1924920280 KJFDSPBSOOWVDA-VFNWGFHPSA-N 434.378 5.228 30 10 IKEE Cc1cc(Br)c(F)c([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)c1 1927528962 RVBUZJDHCNFKGN-QGZVFWFLSA-N 425.342 6.031 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 1953244008 UANCZTMGHQRUBJ-UQBPGWFLSA-N 443.588 5.353 30 10 IKEE COc1cc(Br)ccc1[C@H](C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1954862784 RFRDXRUEHTTYRE-SFHVURJKSA-N 431.330 5.460 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C1 1997228736 AEMXHQKUSXJAJV-HOYKHHGWSA-N 429.561 5.357 30 10 IKEE CCCCCC#CC[C@H](NCCC)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2024367021 DUXRNMOBEKCTHL-ZEQRLZLVSA-N 430.633 5.439 30 10 IKEE CC(C)(C)OC(=O)Nc1ccccc1[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2031834530 MLYSOJDGZBVWHG-OAQYLSRUSA-N 443.588 6.558 30 10 IKEE CC1(C)CCC[C@@]12CSC(=NCC1(N(Cc3ccccc3)Cc3ccccc3)COC1)N2 2033144905 PAADLVWDRAZJGO-HHHXNRCGSA-N 449.664 5.099 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2CC(C#N)(N(C(=O)OC(C)(C)C)c3ccc(F)cc3)C[C@H]2C1 2040986796 WRBRQUTXXSOZPX-IRXDYDNUSA-N 445.535 5.106 30 10 IKEE CN1C(=CC=Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)C(C)(C)c2ccccc21 2053622527 CMHKVMMLGPQRCO-UHFFFAOYSA-N 443.550 7.499 30 10 IKEE CCCc1ccc([C@@H](C(C)C)n2nc(C(F)(F)F)c(C=NO)c2Br)cc1 2079907436 HXGXRIXASVWOSS-OAHLLOKOSA-N 432.284 5.670 30 10 IKEE CC[C@H](c1ccc(OC(C)C)cc1)n1nc(C(F)(F)F)c(C=NO)c1Br 2080064236 PSRXSNUHAOUFLJ-CQSZACIVSA-N 434.256 5.259 30 10 IKEE COc1ccc([C@@H](C(C)C)n2nc(C(C)(C)C)c(C=NO)c2Br)cc1F 2080118014 NHRBWHYVXPPLTG-MRXNPFEDSA-N 426.330 5.144 30 10 IKEE Fc1c(F)c(F)c(-c2c(C(F)F)nn3c(Cl)c4c(nc23)CSC4)c(F)c1F 2081307366 AWEYFNRDAFZHEM-UHFFFAOYSA-N 427.732 5.430 30 10 IKEE C=CCN(CCC(=O)Nc1cc(Br)c(Cl)cc1C)C(=O)OC(C)(C)C 2082755959 MZRJTNHPVIRNQO-UHFFFAOYSA-N 431.758 5.163 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(Cc3ccccc3)CC2(C)C)c1 2098713097 DMDSYIRCXUHNEU-HHHXNRCGSA-N 449.595 5.631 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@]1(C)CNc1ccc(C#N)c(Br)c1F 2106032037 DPZUGBLZGRSGBV-LJQANCHMSA-N 426.330 5.051 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)[C@@H]1[C@@H]2CCC(F)(F)[C@H]21 2119359880 RGETUSGKVQLHID-XUWVNRHRSA-N 427.289 5.374 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1c1ccc(Nc2ccc(C#N)cc2Br)cc1 2162387428 MYDMCCALWVNPBW-VQIMIIECSA-N 428.330 5.445 30 10 IKEE CCC1(CNc2cc(Br)cc(F)c2C#N)CCN(C(=O)OC(C)(C)C)CC1 2163706475 DVCYAXASQIAWHU-UHFFFAOYSA-N 440.357 5.299 30 10 IKEE Cc1cc(F)c([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)c(Br)c1 2173406330 ZMRDMWXFUDCKBM-KRWDZBQOSA-N 437.284 6.042 30 10 IKEE C=CCN(CCC(=O)Nc1ccc2cc(Br)ccc2c1)C(=O)OC(C)(C)C 2180995734 OPARBYSRPHTYNA-UHFFFAOYSA-N 433.346 5.354 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)C#Cc2cccc(Cl)c2)c1 2231006344 NQYUBOFZZHPSED-UHFFFAOYSA-N 434.717 5.684 30 10 IKEE CC#CCCCC[C@H](NC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237423801 DUNQQUFLFPJOQV-VQTJNVASSA-N 437.422 5.057 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)cc1OC 2239649843 LNSKZACOOYUJGR-MJGOQNOKSA-N 441.410 5.358 30 10 IKEE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(CC#N)cc1 2243910249 GDCADJVSIVHXGP-UHFFFAOYSA-N 439.515 5.008 30 10 IKEE C=CCCCC[C@@H](NCCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248455673 IELIUBSQRQJHHU-HSZRJFAPSA-N 430.633 5.555 30 10 IKEE C=CCCCCCC[C@H](NC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248462228 CGRIWOURUXYVNQ-QHCPKHFHSA-N 430.633 5.555 30 10 IKEE CCN[C@@H](CC#CC1CCCC1)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2251481770 WKOOWROGVSYEQP-BJKOFHAPSA-N 428.617 5.048 30 10 IKEE CC1(C)OB(c2cccc(C(=O)N(Cc3ccccc3)C3CCCC3)c2Cl)OC1(C)C 2255544993 JPNGCGSVPHWTPK-UHFFFAOYSA-N 439.792 5.224 30 10 IKEE Cc1sc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)CC2CCC2)c1C 2255634966 WAUQVAJTGYWMRW-UHFFFAOYSA-N 439.430 5.107 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCC(=O)O)c1ccc(Cl)c(Br)c1 2261820978 PWITYODRKIUYDN-LJQANCHMSA-N 425.706 5.018 30 10 IKEE N[C@@H](C#Cc1ccc(Br)cc1)c1cc(Br)sc1Br 2264143450 KKQNRMDUURETIU-NSHDSACASA-N 449.993 5.087 30 10 IKEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)CC1CCCC1 2267603630 AGVNZFZMVOXXLJ-UHFFFAOYSA-N 433.401 5.127 30 10 IKEE Cc1ccc(Cl)c([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)c1 2268101652 ORQPFMWERDGUIA-SFHVURJKSA-N 435.749 6.417 30 10 IKEE O=C(CC(F)(F)C(F)(F)F)c1c(F)cc(Br)c(F)c1Br 2288341494 WLURFQLSESCYCR-UHFFFAOYSA-N 431.927 5.260 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)C[C@H](C)C(C)(C)NC(=O)OC(C)(C)C 2296295951 IRXQMKTVHJOVLN-LPHOPBHVSA-N 437.422 5.108 30 10 IKEE O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(F)cc1 2314477570 JFWBNPFXPIDHSA-RUZDIDTESA-N 427.475 5.046 30 10 IKEE COc1ccc(N=C2NC(=O)SC2=Cc2ccc(-c3cccc(Cl)c3Cl)o2)cc1 2314482754 UTZIJBGKVAWUGC-UHFFFAOYSA-N 445.327 6.790 30 10 IKEE CCCSc1nnc(C)n1N=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2321173261 IAELJUOOLYQCOX-UHFFFAOYSA-N 435.380 5.857 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)c1 2321306152 WSFHZGKOEKHGGS-PMACEKPBSA-N 441.572 5.418 30 10 IKEE Cc1c(OCc2c(Cl)cccc2Cl)ccc2c1OC(=Cc1ccccc1F)C2=O 2321774152 MBCARELNTFLLIZ-UHFFFAOYSA-N 429.274 6.636 30 10 IKEE Cc1c(OCC=Cc2ccccc2)ccc2c1OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2321815543 ZWFKZLKNZSJLIK-UHFFFAOYSA-N 444.530 7.370 30 10 IKEE CCCCCCN1COc2ccc3c(c2C1)OC(=Cc1ccccc1OC(F)F)C3=O 2322083248 SFPKAGJUDQFKMZ-UHFFFAOYSA-N 429.463 5.636 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1cccc(Cl)c1)O3)CN(CCc1cccs1)CO2 2322194706 NFKUOSLEZAQPGO-UHFFFAOYSA-N 437.948 5.721 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(S)nnc1COc1cc(Cl)ccc1Cl 2322256240 UYCAHGVBHYUOSU-UHFFFAOYSA-N 437.352 5.122 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc4c(c1)OCO4)C3=O)CN([C@H](C)c1ccccc1)CO2 2322371148 JQIIFOKJBSMCTL-QGZVFWFLSA-N 441.483 5.253 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccc(CC)cc2)cc1 2322391360 ATTBZFQUOKJMKT-UHFFFAOYSA-N 441.571 6.505 30 10 IKEE COc1cccc(C=CC(=O)c2ccccc2Cl)c1OCC(=O)Nc1cccc(C)c1C 2322437258 XACZWTQJAHDXSF-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE COc1ccccc1C(=O)C=Cc1cccc(OC)c1OCC(=O)Nc1c(C)cccc1C 2322485593 NAPLMHIBTUPPGY-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Br)ccc2OCc2cc(C)ccc2C)c(C)c1 2322568977 LYLCTSREQJNNOY-UHFFFAOYSA-N 449.388 7.158 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccccc1OCC(=O)Nc1ccc(C)c(C)c1 2322845653 VLMGZOCPIDLWNV-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OC(=O)c4cccc(Br)c4)c3C)C2=O)c1 2322937512 MHBQFHQACWKRKL-UHFFFAOYSA-N 449.300 5.901 30 10 IKEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)C[C@H]2CCCC[C@H]2N(C(=O)OC(C)(C)C)C1 2323290554 KOJJPRVPSZDKQK-XLGIIRLISA-N 442.600 5.088 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2F)c(Cl)c1)c1ccc(-c2ccccc2)cc1 2323351923 YBQYMGUNLMGYCY-UHFFFAOYSA-N 442.917 7.621 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OC(=O)COc3ccc(Cl)cc3)cc(C)c2C1=O 2323536544 JKOFRDPMICCLGW-UHFFFAOYSA-N 440.904 5.619 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OC(=O)c3ccc(C=CC(=O)O)cc3)cc(C)c2C1=O 2323627028 UBQAVMVYRWQVBK-UHFFFAOYSA-N 446.480 5.298 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Cl)c1OCc1ccccc1 2323724300 WYMBQVAKFCLJSY-UHFFFAOYSA-N 428.862 6.492 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 2324173501 NVXKQJBKBJCCQL-UHFFFAOYSA-N 431.488 6.202 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OCc1cccc(Cl)c1 2324381466 YMJKHLPIIBUBON-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(O[C@@H](C)C(=O)Nc3ccccc3C)c2C)C1=O 2324413007 WXYXAMVNRQSMRU-IBGZPJMESA-N 427.500 5.634 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)c1 2324455747 QAPHGQABURDUQF-KRWDZBQOSA-N 447.918 5.979 30 10 IKEE Cc1ccc(OCCOc2cc(C)c3c(c2)OC(=Cc2ccc4c(c2)OCO4)C3=O)cc1 2324538658 CRWJKLBBVNTBSG-UHFFFAOYSA-N 430.456 5.106 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OC 2324567759 XVCWPKOMFZIUIL-UHFFFAOYSA-N 437.580 5.544 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(O[C@@H](C)C(=O)Nc4c(C)cccc4C)c3C)C2=O)cc1 2325145441 ZZHDSLOUAVYTRL-FQEVSTJZSA-N 441.527 5.942 30 10 IKEE CCOc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2F)C3=O)cc1 2325705132 CNNUAQMWXABTGK-UHFFFAOYSA-N 447.462 5.167 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OCC(=O)Nc3cccc(Cl)c3)ccc2C1=O 2325717108 XRSGPBOQJMTWGT-UHFFFAOYSA-N 425.893 5.344 30 10 IKEE O=C(Cc1cccs1)Oc1cccc(C=CC(=O)c2cccc(Br)c2)c1 2325720542 KVEFRQOTLJPZIF-UHFFFAOYSA-N 427.319 5.555 30 10 IKEE CCCOc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(C(C)C)cc3)c2)cc1 2325750568 HCXWWBKBNWQYKE-UHFFFAOYSA-N 442.555 6.643 30 10 IKEE COc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(C(C)C)cc3)c2)cc1OC 2325750652 SDFHAFOVBPMESZ-UHFFFAOYSA-N 430.500 5.943 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1sccc1C 2326323801 BCCXFTBKLPPEMK-UHFFFAOYSA-N 440.638 5.772 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1cccc(O)c1 2326324054 OWAYVFKHFPGFNE-UHFFFAOYSA-N 436.581 5.108 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(OC(C)=O)cc1 2326519819 SWRQJPJMYUIMPH-UHFFFAOYSA-N 449.363 5.247 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(OC(C)(C)C)cc1 2326570074 LNOGRRTUEXCWIK-UHFFFAOYSA-N 446.979 5.985 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2C)n1N=Cc1cccc(OCC)c1 2327114330 WOEBCVMVIYSHKW-UHFFFAOYSA-N 436.581 5.157 30 10 IKEE COc1ccc(CCc2nnc(SCc3ccccc3)n2N=Cc2sccc2C)cc1 2328576981 MVITXWFAZVAQFR-UHFFFAOYSA-N 448.617 5.616 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccc(C)cc3C)n2N=Cc2ccncc2)c1 2328886002 QNIPBXIXMZDTKR-UHFFFAOYSA-N 443.576 5.352 30 10 IKEE CCCSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1cccc(OC)c1OC 2328964773 KUSWDSRZOLWVIM-UHFFFAOYSA-N 438.597 5.082 30 10 IKEE Fc1ccccc1CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1cccnc1 2329101365 KZDMOCCBWOPSOJ-UHFFFAOYSA-N 437.931 5.231 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccc(F)cc2)n1N=Cc1cccc(O)c1 2329805421 DTUHKZYKGDEIQX-UHFFFAOYSA-N 432.524 5.197 30 10 IKEE C(=Nn1c(CCc2ccccc2)nnc1SCc1cccc2ccccc12)c1ccc[nH]1 2330206338 NVLAATSDXMYCRX-UHFFFAOYSA-N 437.572 5.719 30 10 IKEE CCSc1nnc(-c2ccccc2)n1N=Cc1ccc(OCc2ccccc2C)cc1 2330659424 ZWBFZHWDNGIRPA-UHFFFAOYSA-N 428.561 5.827 30 10 IKEE Oc1cccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2[C@H]2CCCO2)c1 2331002336 HDUPBMFPQCXVCC-GOSISDBHSA-N 449.363 5.317 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)CC1CCCCC1 2331312239 YBHGPXOYOHKUFH-UHFFFAOYSA-N 440.967 6.737 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2cc(C)ccc2OC)cc1 2331352004 UDSNDZILDYISPK-UHFFFAOYSA-N 446.499 5.283 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC(=O)c1ccncc1 2331414008 XUGYFEAWPLSZDR-UHFFFAOYSA-N 445.515 5.512 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)cc3)c(Cl)c2)cc1F 2331453773 ICUKMKYUYAOOGQ-UHFFFAOYSA-N 438.882 5.840 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OC(=O)c1ccc(F)cc1F 2331488679 OCCQWLFMMAFSHS-UHFFFAOYSA-N 444.433 6.242 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)[C@H](C)c1ccccc1 2331504131 PUQOONNYTKVZPC-OAQYLSRUSA-N 442.555 6.814 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2ccccc2Cl)c1C 2331673907 CUYKZAKAKXZVNC-UHFFFAOYSA-N 441.988 5.285 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)Cc2ccc(Cl)cc2)cc1 2331780446 MHZQPXAEGZTRBJ-UHFFFAOYSA-N 446.974 6.990 30 10 IKEE CCN[C@H](C#C[C@H]1CC1(F)F)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2341040864 JVFDBVVJUIAOIB-XJKSGUPXSA-N 429.305 5.105 30 10 IKEE N#CC1(Cc2ccc(I)c(Br)c2)C[C@@H]2CC[C@H](C1)S2 2349877352 DGGUYNOHXFLGJC-ODOQXGPZSA-N 448.167 5.164 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1CNc1c(Br)cccc1C#N 2359470965 FMXSRTPBSHJZFK-LESCRADOSA-N 434.378 5.301 30 10 IKEE CCN(CC)c1ccc(/C=C2/CC(C)C/C(=C\c3ccc(N(CC)CC)cc3)C2=O)cc1 3108076 SFXPLYOSNTZJFW-NTDJFUTDSA-N 430.636 6.845 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(SCc3ccccc3)nc(=O)c1[C@@H]2c1cccs1 9597331 HMCRSQOPSUURSL-LJQANCHMSA-N 449.601 5.324 30 10 IKEE N#Cc1ccc(CSc2nnc(NC(=O)c3cccc(Oc4ccccc4)c3)s2)cc1 14621462 ZZFVPQJWNYVXDU-UHFFFAOYSA-N 444.541 5.747 30 10 IKEE N#Cc1ccc(N2C(=S)C3(CCCCC3)[C@@H](N3CCCCC3)/C2=N\C2CCCCC2)cc1 15861782 SMXIDLKERQIBJL-HFNVWCFFSA-N 448.680 6.242 30 10 IKEE O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1c[nH]c3ccccc13)n1c(nc3ccccc31)N2 17096983 IODTXMITANPSKX-MYUZEXMDSA-N 430.511 5.933 30 10 IKEE Cc1ccc(-c2sc(=S)n3c4ccccc4c(=O)n(Cc4ccc(C#N)cc4)c23)cc1 20378586 YUHONPAWOKANMQ-UHFFFAOYSA-N 439.565 5.941 30 10 IKEE CC(C)COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc3ccccc23)cc1 20885349 IMDYEQJODGBJAB-PXDATVDWSA-N 439.555 5.879 30 10 IKEE COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)ccc1O 21247582 ZKTIAAKGVWHPFA-WGDIFIGCSA-N 446.934 6.034 30 10 IKEE Cc1cccc(N/C(=N\C(=O)c2ccc(C)c(F)c2)N2CCN(C3CCCCC3)CC2)c1 32946384 AYRZNXSZSNGGBD-UHFFFAOYSA-N 436.575 5.001 30 10 IKEE C=CCOc1ccc([C@@H]2c3c(-c4cc(Cl)c(C)cc4O)n[nH]c3C(=O)N2CC=C)cc1 39914525 INBWKUBWERKYNA-HSZRJFAPSA-N 435.911 5.040 30 10 IKEE COc1ccc2c(c1)c(/C=C1\Oc3cc(OC(=O)c4cccc(C)c4)ccc3C1=O)cn2C 41355394 WZYFCTRYQQBXEP-ROTLSHHCSA-N 439.467 5.331 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(N(C)C)cc1)C3=O)CN(Cc1cccs1)CO2 41589351 NEOQUZZYPMUYNG-JJFYIABZSA-N 432.545 5.091 30 10 IKEE COc1ccc2c(c1)c(/C=C1\Oc3c4c(cc(C)c3C1=O)OCN(C1CCCC1)C4)cn2C 41651020 AEBLNBVLAIBWQX-MYKKPKGFSA-N 444.531 5.206 30 10 IKEE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)OC1CCCCC1 59265559 IFBPTZPDEVFPGA-UHFFFAOYSA-N 436.581 5.197 30 10 IKEE COc1ccc([N+](=O)[O-])cc1/C=N/c1ccc2nc(SCc3ccccc3)sc2c1 59387242 MRCMKAXTXIHDRV-YDZHTSKRSA-N 435.530 6.256 30 10 IKEE Cn1c(=O)c(C(=O)/C=C\c2nc3ccccc3[nH]2)c(-c2ccccc2)c2ccc(Cl)cc21 96055667 ZAPGQGLSZPGISM-YPKPFQOOSA-N 439.902 5.631 30 10 IKEE CCCCCCCOc1ccc(NC(=S)NC(=O)c2ccccc2Br)cc1 100155588 QVWWIBATAYQRDO-UHFFFAOYSA-N 449.414 5.925 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)S/C1=N/c1nc(C)cs1 101129166 TWKPXYNQKYZCFX-OPZVMXLVSA-N 440.506 5.244 30 10 IKEE CCCCCCCCCCCn1c(CNC(=O)COc2ccccc2)nc2ccccc21 102126161 DWCVLNLUXLKVEO-UHFFFAOYSA-N 435.612 6.262 30 10 IKEE CCCCCCCCCCCCn1c(CCCNC(=O)[C@H]2CCCO2)nc2ccccc21 102147507 SYWCKCUJAQDVJH-RUZDIDTESA-N 441.660 6.185 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2cc(C)ccc2C)cc1 169924604 XJSFRGUNJYNLHO-VWLOTQADSA-N 441.527 5.712 30 10 IKEE Cc1c(Cl)cccc1NC1=C(c2ccc(F)cc2)C(=O)N(c2ccc(C#N)cc2)C1=O 170112148 HQRFKNYDAHOKHY-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@@H]1c1ccccc1OC 170125632 UMUWHOKXDVUUBY-NRFANRHFSA-N 443.927 5.126 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc(OC)c1OC 170126992 DIJZQHSPUIHXFY-QHCPKHFHSA-N 445.515 5.235 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@@H]1c1ccc(O)cc1 170137389 FPWFMXUQMCJZHV-QHCPKHFHSA-N 437.536 5.293 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccs2)c1 170158377 FHBWBUYBQWASJI-JOCHJYFZSA-N 429.497 5.894 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC(C)C)cc3)[C@H]2c2ccncc2)cc1 170204501 CEMXUTPCRMSJAT-XMMPIXPASA-N 442.515 5.208 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(Cl)ccc3OC)[C@@H]2c2ccccc2)cc1 170224195 PJQGTVRZJYGLAH-QHCPKHFHSA-N 447.918 5.694 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccc(F)cc2)cc1C 170240311 YTSQNDWOBPOMGL-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2F)cc1 170248225 UKBIBQLFTPWJOT-HSZRJFAPSA-N 449.453 5.537 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2sccc2C)c1 170314124 GLEJHGKLDHGLJL-NRFANRHFSA-N 428.513 5.629 30 10 IKEE CSC1=NC(=Nc2cccc(C(F)(F)F)c2)C2(CCCCC2)N1c1ccc(C)cc1 252630054 UTLMYUDGMRNLBZ-UHFFFAOYSA-N 431.527 6.986 30 10 IKEE C=CCn1c(SCC(=O)Nc2cccc(F)c2C)nnc1-c1ccc2ccccc2c1 253576987 WNHMOUPWFNEALW-UHFFFAOYSA-N 432.524 5.463 30 10 IKEE Cc1ccc(-c2nc(NN=Cc3ccccc3)sc2NC(=O)Cc2ccccc2)cc1 254746749 JBTXPTNPQQMLMY-UHFFFAOYSA-N 426.545 5.746 30 10 IKEE CCCN[C@@H](CC#CC(C)(C)C)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 407604380 KNNSWSKDEOCBLF-IBGZPJMESA-N 437.422 6.276 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(OC(C)C)cc2)c1 526518581 ZQIMDYMLEVNWQY-RUZDIDTESA-N 440.499 5.411 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2C)cc1O 526743628 BWHAWFZDOGLZKR-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE CCOc1ccc2ccccc2c1/C=N\n1cnnc1SCc1ccc(C(C)(C)C)cc1 526806332 ZYARYHMKVORSLS-NTFVMDSBSA-N 444.604 6.302 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1ccc(C(F)(F)F)cc1 526809289 ICEVZYQRPTXIPY-VYYCAZPPSA-N 446.542 6.431 30 10 IKEE CCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1cc(Cl)c(O)c(Cl)c1 526812005 WOPTZUGJZVNEQY-RMORIDSASA-N 435.380 5.644 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)N3CCCC[C@@H]3CC)C2)c1 585966425 NBKHRGGUFHQOCP-GOTSBHOMSA-N 440.632 5.103 30 10 IKEE CC(C)(C)c1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2cccc(Cl)n2)cc1 586251060 GGAHSVIQIDVQQC-UHFFFAOYSA-N 439.968 5.300 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@H](CNC(=O)OC(C)(C)C)C(C)C)cc1 698892759 SYFCSWHRLTXXCN-UXHICEINSA-N 447.576 5.126 30 10 IKEE C=CCc1cc(/C=C2/S/C(=N\C)N(C)C2=O)cc(OCC)c1OCc1cccc(C)c1 1084615434 XDXBQOFZMINSAR-JUMVDPBBSA-N 436.577 5.233 30 10 IKEE Cc1ccc([N+](=O)[O-])c(C)c1[C@H](C#N)OC(=O)[C@H]1[C@@H](/C=C(/Cl)C(F)(F)F)C1(C)C 1614949807 OFRLMCIHHTXJPU-DSPWPPGTSA-N 430.810 5.277 30 10 IKEE CC(C)(C)c1ccccc1NC(=O)c1nc(C(=O)Nc2ccc(C#N)cc2)c2ccccn12 1858245057 QKBLOVTVYQBSCK-UHFFFAOYSA-N 437.503 5.008 30 10 IKEE N#Cc1cccc(C(=O)Nc2cc(NC(=O)c3ccc(Cl)cc3F)ccc2Cl)c1 1860462755 PSOYWCJIESUDGO-UHFFFAOYSA-N 428.250 5.509 30 10 IKEE COc1cc(/C=C/C(=O)C(=O)Nc2cccc3cccnc23)ccc1OCc1ccccc1 1860728587 QOWAPOCRQSLVER-WYMLVPIESA-N 438.483 5.043 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 1862392779 GGWQFHYIFREKNP-ZHRRBRCNSA-N 436.508 5.314 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccc(Cl)cc2Cl)cc1 1862394658 OGLWLMIZXUYSIY-NRFANRHFSA-N 444.358 6.077 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(C(C)(C)C)cc1 1862420813 RNVDBKOMKOITOK-OAQYLSRUSA-N 427.491 5.497 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1C(=O)O 1862477741 QSMRRMZSZPFHSB-XXBNENTESA-N 449.547 5.630 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccs2)c1 1862479533 JOWCEGORARNPBT-QHCPKHFHSA-N 447.556 5.624 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2cccc(Cl)c2)c1 1862491612 XNHOQBLOESRSBI-OAOOKAIFSA-N 437.967 6.114 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc(O)c(OC)c2)cc1 1862530986 CMPSXVUWBKSGEI-MYRUOYEDSA-N 449.547 5.120 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCC2=CCCCC2)c1 1862598430 UZRMITZHBATMQK-DEOSSOPVSA-N 447.531 5.260 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)OCCO3)=C(O)C(=O)N1C1CCCCCC1 1862604667 HIMNERYRZLFNEM-XMMPIXPASA-N 447.531 5.067 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 1862661979 YPBZRQQYBKMNPH-DEOSSOPVSA-N 426.516 5.292 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CCCCC2)c1 1862664146 WTTDGNGDNKMLMY-DEOSSOPVSA-N 433.548 5.730 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccccc2Br)cc1 1862669908 IBLOESWZLVMBDM-FQEVSTJZSA-N 440.337 5.313 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(OCc2ccccc2)cc1 1862685177 PRJFCNDCECROKS-QHCPKHFHSA-N 431.463 5.003 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1c(Cl)cccc1Cl 1862716385 FUVLGXZMHVGMCO-OAQYLSRUSA-N 438.310 5.911 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(OCC)cc1 1862726634 LCWQZGJIHBIOAH-RUZDIDTESA-N 439.511 5.517 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C(F)(F)F)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862905470 PALVZAIKBLSCPP-UHFFFAOYSA-N 447.416 5.282 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(F)c(Cl)c3)C2=O)c1 1863023574 VBHBSDUVSSCQMX-UHFFFAOYSA-N 445.881 5.364 30 10 IKEE Cc1cc(C2=C(Nc3ccc4ccccc4c3)C(=O)N(c3cccc(C#N)c3)C2=O)ccc1F 1863094611 CAMBTVFVSQZZNR-UHFFFAOYSA-N 447.469 5.556 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(Nc2ccccc2C#N)=C(c2ccccc2OC)C1=O 1863436350 DZAGURPSEHDLDP-LJQANCHMSA-N 431.536 5.118 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@@H](C)CC)=C(c2ccc(OC(C)C)cc2)C1=O 1863695325 DGLUNWWVSMMLDK-NRFANRHFSA-N 442.644 6.083 30 10 IKEE CCc1cccc(OC2CCN(c3cc(Nc4ccc(C#N)cc4)nc(C(C)C)n3)CC2)c1 1868242326 MIAPNPUEQXEWCZ-UHFFFAOYSA-N 441.579 5.825 30 10 IKEE N#Cc1nnn(Cc2ccc(Cl)cc2Cl)c1NC(=O)c1cc(Cl)ccc1Cl 1870109748 HNPHFZFRZIMUKM-UHFFFAOYSA-N 441.105 5.064 30 10 IKEE N#Cc1nnn(-c2cc(Cl)cc(Cl)c2)c1NC(=O)C(c1ccccc1)c1ccccc1 1870139352 LZXNQFAKAOWHFN-UHFFFAOYSA-N 448.313 5.216 30 10 IKEE Cc1cccc(C)c1OCC(=O)Nc1c(C#N)nnn1-c1cc(C(C)C)cc(C(C)C)c1 1870160399 PBSZOGQIZMCWSO-UHFFFAOYSA-N 431.540 5.020 30 10 IKEE CCCCCCCCn1cc(OCc2cccc(C)c2)c(=O)cc1CSc1ccccc1 1870168819 GYEZBTCSZMVZCL-UHFFFAOYSA-N 449.660 7.389 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(F)cc2)c(=O)cc1CN1CCC(C)CC1 1870625508 HSTBVWOHSJMICC-UHFFFAOYSA-N 442.619 6.159 30 10 IKEE COc1ccc(CC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1OC 1871374757 YAWVOLXSNKZYHI-CFRMEGHHSA-N 444.483 5.085 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)c(C)c1 1871418953 VZLMFLNPXBQZEB-FMCGGJTJSA-N 447.918 5.899 30 10 IKEE CCCC[C@@H](Oc1ccc2c(c1C)O/C(=C\c1ccccc1Br)C2=O)C(=O)O 1871423619 VIZJGTRJWPSTTL-GEBKJHSDSA-N 445.309 5.396 30 10 IKEE O=C1/C(=C/c2ccc3c(c2)OCO3)Oc2cc(OC(c3ccccc3)c3ccccc3)ccc21 1871430474 BQYLNLAKWDVBOO-YUMHPJSZSA-N 448.474 6.200 30 10 IKEE Cc1cc(OCc2nc(O)c3ccccc3n2)cc2c1C(=O)/C(=C/c1ccccc1Cl)O2 1871430983 RAKLUKZEWKVAGJ-NHDPSOOVSA-N 444.874 5.492 30 10 IKEE CCN(CC)CCOc1ccc2c(c1C)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 1871451845 PSJWEALSTHANAH-XHPQRKPJSA-N 427.544 5.999 30 10 IKEE C=CCN(CC=C)c1nc(=NCCC(C)C)[nH]c(=Nc2cc(C(C)C)cc(C(C)C)c2)[nH]1 1871673383 VJALUMIFGLKHSK-UHFFFAOYSA-N 436.648 5.342 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[C@@H](C)CC)S(=O)(=O)CCCC 1871958479 BRDUPGCSMWGVBS-KXBFYZLASA-N 449.444 5.355 30 10 IKEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(=O)(=O)CCCC 1872211000 SNVTVXKUWLJGQR-DEOSSOPVSA-N 442.625 5.387 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(C)cc1C)[C@@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872548439 KNADSHLOUUFLGS-UUOWRZLLSA-N 442.625 5.150 30 10 IKEE COc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1OC 1872760134 HZRUBZKLAHEYBU-HXUWFJFHSA-N 428.513 5.399 30 10 IKEE CC(C)Oc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 1872762755 VZKFYAGMLWUOJO-SFHVURJKSA-N 445.371 6.323 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3c(Cl)ccc(Cl)c3OC)n2)cc1 1872764708 VVSJQEBXOJXNAI-ZDUSSCGKSA-N 433.316 5.624 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4ccccc4oc3=O)n2)cc1 1872765136 IHUKXGONZHLJEY-HXUWFJFHSA-N 428.513 5.749 30 10 IKEE CCCCCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)cc1 1872765844 YBKRZURBQBRHFV-JOCHJYFZSA-N 448.588 6.576 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(Cl)ccc3OC)n2)cc1 1872770419 SWEKVWGWZHGTOU-SFHVURJKSA-N 426.925 5.751 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1 1872770501 WNLHMJNPXBJMKQ-XJKSGUPXSA-N 431.344 6.069 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@@H](C#N)C(=O)Cc3ccc(Cl)cc3)n2)c1 1872780163 BPTBAYLLVXKHSK-IBGZPJMESA-N 440.952 5.680 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)c2c(F)cccc2Cl)n1 1872786002 YSTMWOPGHZXOPF-INIZCTEOSA-N 426.944 6.699 30 10 IKEE CCCCCCCCNC1=C(c2cccc(OC)c2)C(=O)N([C@@H](CC)CCCCC)C1=O 1873047141 CZRBTIZTMLQPOO-QFIPXVFZSA-N 442.644 6.084 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H](C)CC)=C(c2c(Cl)cccc2Cl)C1=O 1873095103 FTNIEFNSXJBIKU-OAHLLOKOSA-N 425.400 5.822 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2)C(=O)N(Cc2ccc(OC)cc2)C1=O 1873159316 OMCDYPJBBUEVPW-UHFFFAOYSA-N 448.607 5.706 30 10 IKEE C=CCNC(=O)c1c(NC(=O)C(c2ccccc2)c2ccccc2)sc2c1CCCC2 1873442846 RVWMQASDNDUUPX-UHFFFAOYSA-N 430.573 5.313 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1cc(C)ccc1O 1874214679 ZMCVJNDEMRGTDF-BUVRLJJBSA-N 444.988 5.341 30 10 IKEE CCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1ccc(C(C)(C)C)cc1 1874248272 HLYZQTPOECINAU-NLRVBDNBSA-N 436.625 5.890 30 10 IKEE CCCc1ccc(OCc2nnc(SC)n2/N=C/c2ccc(Cl)c(Cl)c2)cc1 1874256802 UAILHXJYQDDEBW-FSJBWODESA-N 435.380 5.721 30 10 IKEE Clc1ccccc1CCc1nnc(SCCc2ccccc2)n1/N=C/c1ccco1 1874279319 FMMCESUVVPXOLY-KOEQRZSOSA-N 436.968 5.527 30 10 IKEE CCCCC1CCC(c2nnc(SCCCO)n2/N=C/c2cccc(OCC)c2)CC1 1874286661 RZKJKMKBPAEPFO-XIEYBQDHSA-N 444.645 5.498 30 10 IKEE CCCCC1CCC(c2nnc(SCC(=O)OC)n2/N=C/c2cccc(Cl)c2)CC1 1874287586 MQQVOBZZIUHAMA-ZVHZXABRSA-N 449.020 5.543 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccco2)cc1 1874301476 AOAAEEAUOURLKK-MFKUBSTISA-N 436.512 5.174 30 10 IKEE Cc1ccccc1CSc1nnc(COc2cccc(C)c2C)n1/N=C/c1ccccn1 1874322006 VQSHSQUDVMUKII-JFLMPSFJSA-N 443.576 5.352 30 10 IKEE CCCSc1nnc(CCOc2ccccc2)n1/N=C/c1ccc(N(CC)CC)cc1 1874347035 SCSOFCVWZQBDSL-NCELDCMTSA-N 437.613 5.130 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccccc3Cl)n2/N=C/c2ccccc2O)c1 1874365464 DFYRBWKUYJSFAT-VULFUBBASA-N 448.979 6.095 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccccc3C)nnc2[C@@H](C)c2ccccc2)cc1 1874392168 GAVMHINEPPMFTH-KKMLCIJBSA-N 442.588 5.921 30 10 IKEE CCSc1nnc(CC2CCCCC2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874407201 KLMHQERVXOZKOF-NLRVBDNBSA-N 434.609 5.974 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2C(F)(F)F)cc1 1874461235 CWSNBMCAOGFLSX-BRJLIKDPSA-N 434.487 5.487 30 10 IKEE Clc1cccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2-c2ccco2)c1 1874468691 UDJXAWBPMOYYCU-FSJBWODESA-N 429.332 6.019 30 10 IKEE COCCc1nnc(SCc2cccc(C)c2)n1/N=C/c1c(OC)ccc2ccccc12 1874472174 PVDMNGIORRSFAD-WGOQTCKBSA-N 446.576 5.112 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(OC)c(O)c1 1874479124 JWMXENYNZKQQBX-WGOQTCKBSA-N 446.576 5.663 30 10 IKEE CCOc1c(/C=N/n2c(CC(C)C)nnc2SCc2ccccc2F)cccc1OC 1874489946 SNDGODFJBWMKMP-AFUMVMLFSA-N 442.560 5.198 30 10 IKEE CC(C)c1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874510581 VHFBTXSTTWBQHB-LSHDLFTRSA-N 433.896 5.277 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CC2)cc1 1874519792 LYHGZZDGSCWOGO-MFKUBSTISA-N 440.016 5.830 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(N(CC)CC)cc1 1874529011 NVQVPWHIABMWPL-AFUMVMLFSA-N 445.995 5.654 30 10 IKEE Cc1ccccc1COc1ccccc1/C=N/n1c(S)nnc1Cc1ccc(Cl)cc1 1874564900 XGGLMZPWCSDRKH-CVKSISIWSA-N 448.979 5.581 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1cccc2ccccc12)c1ccc2ccccc2c1 1874571256 DFZBBYHKISSKEW-JQIJEIRASA-N 448.949 8.122 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3cc(C)cc(C)c3)c2)cc1F 1874597637 XBGLCPNCHQFKGX-VQHVLOKHSA-N 433.479 5.365 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc(F)c2)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 1874615971 VEQOYWYGEFYOJQ-XBXARRHUSA-N 446.261 6.516 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1ccc2c(c1)OCO2 1874621215 PTKUZNFZZNDEHR-RUDMXATFSA-N 427.283 6.197 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2Cl)c(C)c1 1874625129 NNFVPQNKTBAVRN-NYYWCZLTSA-N 437.898 6.010 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)cc2)cc1 1874629245 SYVPDRXVSOWWSX-LFIBNONCSA-N 441.571 6.396 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccc(C)c(C)c3)c2)cc1 1874696886 OWIDZQJXTHRJFU-NTUHNPAUSA-N 430.500 5.365 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC(=O)Cc2ccc(F)cc2F)c1 1874715825 NOKZUEFEPXHRQP-UKTHLTGXSA-N 448.509 6.615 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2cccc(/C=C/C(=O)c3c(C)cc(C)cc3C)c2)c1 1874716263 KKZIJYXMNAWKCY-MDZDMXLPSA-N 430.500 5.744 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2cccc(OC(=O)c3ccccc3C)c2)cc1Cl 1874716721 GOZKUKOHZYUDFJ-ZHACJKMWSA-N 441.310 6.426 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)[C@H]1CCCO1 1875082349 AWXVRMBLVHHKHE-UVSKUAMOSA-N 428.484 5.343 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)c2cccc3ccccc23)c(Cl)c1 1875118991 YJLICNWQGLNFCY-FYWRMAATSA-N 442.898 6.617 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OC(=O)c1cccc(OC)c1 1875127176 RJWVZTFQCUCFDN-OUKQBFOZSA-N 436.891 5.863 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)CCCSC 1875131703 KMRQTZDTNDGQRP-PKNBQFBNSA-N 428.550 5.265 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)ccc1OC(=O)c1ccccc1F 1875151826 DYNSOWNLFNDVQA-DHZHZOJOSA-N 438.426 5.487 30 10 IKEE COc1cccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(C)c3C)cc2)c1 1875168026 SYGAXSCTCJDFOP-GXDHUFHOSA-N 446.499 5.201 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Br)c1OC(=O)C(C)C 1875176761 OFDIACYHQYICDL-CSKARUKUSA-N 445.353 5.922 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(-c4ccccn4)s3)cc21 1890603142 RKWBKZWVVHHORZ-UHFFFAOYSA-N 433.533 5.000 30 10 IKEE COc1ccccc1OCC#CCNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1 1891793309 VRIGQOJDHAGMPL-UHFFFAOYSA-N 444.918 5.309 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cc(Cl)nc4ccccc34)cc21 1891998103 ZXNIODNWDPPAFH-UHFFFAOYSA-N 435.911 5.078 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@@]1(C#N)CN(Cc2ccccc2)C2(CCCCC2)C1 1950339579 RSMORKFWKHVROM-SANMLTNESA-N 425.617 5.751 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C12CCC2 2008161933 DPFSBLUFDCGBMF-DEOSSOPVSA-N 433.593 5.382 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)[C@H]1C1CC1 2014633890 PTCYXLZEVSQTTC-JPYJTQIMSA-N 447.601 5.167 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCC[C@H]2CNC(=O)OC(C)(C)C)cc1 2032218370 XNMOEOXPDFXFSG-DFBJGRDBSA-N 443.588 5.714 30 10 IKEE N#Cc1ccc(-c2ccc(OC(=O)C=Cc3cc(Cl)c4c(c3)OCCCO4)cc2)cc1 2042447460 ZFZPSQCXTFVHIE-UHFFFAOYSA-N 431.875 5.659 30 10 IKEE CN[C@@H](CC#C[Si](C)(C)C)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2067290912 ZAAVRPUODYBSTP-KRWDZBQOSA-N 425.443 5.328 30 10 IKEE C#CC[C@H](COc1c(Br)cc(Br)cc1Br)C1CC1 2075953414 NSMCVWCOAVQBOI-SNVBAGLBSA-N 436.969 5.402 30 10 IKEE C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2076319571 UKSCWZOSXBEQPU-XDHUDOTRSA-N 447.551 5.497 30 10 IKEE NC(=O)c1c(C(F)(F)F)nn([C@@H](c2ccc(C(F)(F)F)cc2F)C2CCC2)c1Cl 2079971748 LMNSUVBJLYRRGQ-GFCCVEGCSA-N 443.750 5.202 30 10 IKEE CC(C)c1cc(C(F)(F)F)ccc1-c1cc(Cl)n2nc(C(F)(F)F)c(C#N)c2n1 2081180416 DWXMWKLKQOVVNG-UHFFFAOYSA-N 432.755 6.082 30 10 IKEE C#CC[C@H](C)C[C@H](NCCC)c1ccc(Br)cc1I 2142288601 KZMOYGBYOFZMQJ-LRDDRELGSA-N 434.159 5.144 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@H]2Nc2cccc(Br)c2C#N)C1 2162310818 RHFBWHXWGQFUMY-NQIIRXRSSA-N 434.378 5.302 30 10 IKEE N[C@H](C#Cc1ccccc1Br)c1c(Br)cccc1Br 2227461848 FYTTWLWEMIBGSG-CQSZACIVSA-N 443.964 5.026 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Br)cc1CC 2229242849 CUEHQZCCALZXJK-RTBURBONSA-N 425.411 5.522 30 10 IKEE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)C(=O)C1=CCC(F)(F)CC1 2237402621 MABAKHDATXNVQU-MRXNPFEDSA-N 444.316 5.200 30 10 IKEE C=CCCC1([C@H](O)c2c(Br)ccc(Cl)c2F)CN(C(=O)OC(C)(C)C)C1 2266237073 WSMUGZRLFYLIER-MRXNPFEDSA-N 448.760 5.478 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CCC[C@H](C1)[C@]2(C#N)Nc1ccc(Br)cc1 2285815594 SYADBNGSPSIYLC-GKWHRYEASA-N 434.378 5.227 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)CCCN(CC)C(=O)OC(C)(C)C 2296307852 ZOFZDUQQVOBGPH-HXUWFJFHSA-N 437.422 5.206 30 10 IKEE O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2ccc(F)cc2)C1=C(O)c1ccccc1 2296340309 JZXZXNHFOCTHJU-HXUWFJFHSA-N 441.380 5.471 30 10 IKEE Clc1ccc(-c2nc3cc(N=CC=Cc4ccc(Cl)cc4Cl)ccc3o2)cc1 2297096230 RCBUSTNKLMRFRJ-UHFFFAOYSA-N 427.718 7.871 30 10 IKEE COc1ccc(N=C2SC(=Cc3ccc(N(C)C)cc3)C(=O)N2c2ccccc2)cc1 2297452620 IEXXONXICYJMNB-UHFFFAOYSA-N 429.545 5.570 30 10 IKEE N#Cc1nc([C@@H]2C[C@@H]2c2ccccc2)oc1NN=Cc1cccc(OC(=O)c2ccco2)c1 2320837077 KBGCGPXOSPDZFP-WOJBJXKFSA-N 438.443 5.076 30 10 IKEE COc1ccc(C=NNc2ccccc2Cl)cc1OCc1ccc(Cl)cc1Cl 2321689096 CCLSQTLWNWOTAL-UHFFFAOYSA-N 435.738 6.680 30 10 IKEE CCCOC(=O)COc1ccc(Br)cc1C=CC(=O)c1ccccc1Cl 2322433406 SXTOGHYCCPCTAZ-UHFFFAOYSA-N 437.717 5.331 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OC(=O)c4cccc(OC)c4)ccc3C2=O)cc1 2322722445 DSKPCLNYGXYBHQ-UHFFFAOYSA-N 443.499 5.377 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)OC)cc1 2322762871 ITERSBWJVDJTCL-UHFFFAOYSA-N 444.955 6.137 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCc2ccc(Cl)cc2Cl)c(C)c1C 2322810111 VOVGRAPFNYUGMH-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OC(=O)Cc4ccc(OC)cc4)c3C)C2=O)cc1 2322904379 RKRLDRPFXOYIBW-UHFFFAOYSA-N 428.484 5.330 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2c(C)cc(C)cc2C)c1OCc1cccc(F)c1 2322948892 NQTHXADWIZEESV-UHFFFAOYSA-N 438.926 6.888 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OC(=O)C=Cc4ccc(F)cc4)ccc3C2=O)cc1 2323040421 IWBKVACWUUDBCM-UHFFFAOYSA-N 430.431 5.459 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(C)c2)C3=O)cc1 2323078543 HXCUTKAGLDLOBZ-UHFFFAOYSA-N 444.483 5.303 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1 2323211508 JURIQFUEEZAUGS-UHFFFAOYSA-N 425.355 7.592 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1cccc(OCc2ccc(F)cc2)c1 2323259050 YPAPPXPULPUMIU-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE C[C@H](NC(=O)COc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1)c1ccccc1 2323395656 SJLBFPIZCPGQPA-NRFANRHFSA-N 435.523 5.992 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)C=Cc1ccc(C(C)(C)C)cc1 2323464783 HSSWTYFYFAMJKE-RUZDIDTESA-N 440.672 6.245 30 10 IKEE COc1ccc(OC)c(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2cccc(F)c2)C3=O)c1 2323486871 MTMOLDFBRPGLDK-UHFFFAOYSA-N 446.430 5.078 30 10 IKEE CCN(Cc1ccccc1)c1ccc(C=NNc2nc(-c3ccc(C)cc3C)cs2)cc1 2323852717 VRFHRSUQSDXHGV-UHFFFAOYSA-N 440.616 6.899 30 10 IKEE CCc1nc(NN=Cc2ccc(OCc3ccccc3)c(Cl)c2)sc1C(=O)OC 2323865492 IUOMOPJCUQNTQK-UHFFFAOYSA-N 429.929 5.171 30 10 IKEE Cc1cc(O)c(CN(Cc2ccccc2)C(C)C)c2c1C(=O)C(=Cc1ccc(F)cc1)O2 2324014423 QKFVFERUWWKQIP-UHFFFAOYSA-N 431.507 5.867 30 10 IKEE CCOc1ccc(C=C2Oc3c(CN4CCc5ccccc5C4)c(O)cc(C)c3C2=O)cc1 2324115681 MYLLMRLRWXSKEW-UHFFFAOYSA-N 441.527 5.274 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc(Oc2ccccc2)cc1 2324280989 JEJRYQZNNDDXJD-UHFFFAOYSA-N 440.926 7.607 30 10 IKEE C=CCOc1c(CC=C)cc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)cc1OC 2324331647 BCOFDBWIGQNMBT-UHFFFAOYSA-N 433.331 6.200 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccc(C)o1)C2=O 2324349247 TYZVSYKAOIDRMC-GOSISDBHSA-N 445.515 5.789 30 10 IKEE Cc1cc(OCCOc2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1ccc(C(C)C)cc1)O2 2324673299 XVXGDYZBPOGHBD-UHFFFAOYSA-N 448.946 6.846 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCCCOc4ccc(OC)cc4)ccc3C2=O)cc1 2324704105 SXWLYAAQBMDLPC-UHFFFAOYSA-N 430.500 5.722 30 10 IKEE Cc1ccc(NC(=O)CCOc2cc(C)c3c(c2)OC(=Cc2ccccc2F)C3=O)cc1 2325226097 GSSTXTLXDVYRDB-UHFFFAOYSA-N 431.463 5.466 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1N=Cc1cc(Br)ccc1O 2325547117 SEVPVNVYELIWBR-UHFFFAOYSA-N 445.386 5.182 30 10 IKEE COc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)c1ccccc1Cl 2325669784 LWMKWBRKOKWLEI-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2ccccc2Cl)cc1OC(=O)C1CCC1 2325717475 ZHHSRLKBBFUOJH-UHFFFAOYSA-N 449.728 5.713 30 10 IKEE COc1ccccc1C(=O)C=Cc1cccc(OC(=O)c2cc(Cl)ccc2Cl)c1 2325724347 NMANKAWOQUNNRM-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cccc4ccccc34)c2)cc1 2325739350 JBJKSLMDCTVJLV-UHFFFAOYSA-N 436.507 6.744 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)CC34CC5CC(CC(C5)C3)C4)c2)cc1F 2325748710 LAKUMYXNWKUCPA-UHFFFAOYSA-N 448.534 6.242 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1OC(=O)[C@@H](C)c1ccccc1 2325756606 CSUAEYCBEYECTI-QFIPXVFZSA-N 442.555 6.534 30 10 IKEE CCCCC(=O)Oc1cc(C=CC(=O)c2cc(OCC)ccc2OCC)ccc1OC 2325758061 MJGYYASTUDULJR-UHFFFAOYSA-N 426.509 5.484 30 10 IKEE C=CCSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1ccccc1 2325884186 RMMNDAOYXLBUQV-UHFFFAOYSA-N 428.561 5.603 30 10 IKEE CSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1cccc2ccccc12 2326358190 LIECQUYZALVTGX-UHFFFAOYSA-N 430.577 5.664 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1cc(C)ccc1O 2326540929 CHSVTKGIELVBCG-UHFFFAOYSA-N 430.961 5.217 30 10 IKEE N#C[C@@]12C=C3CCCC(C=NC4CCCCC4)=C3NC1=C(C=NC1CCCCC1)CCC2 2328662945 VWPBVELXCJQXGP-MUUNZHRXSA-N 430.640 6.709 30 10 IKEE CCCSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1ccc(C(F)(F)F)cc1 2328964730 MSZQNTGBNFKMEJ-UHFFFAOYSA-N 446.542 6.083 30 10 IKEE Clc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2ccccc2)cc1 2329103017 KCTQDQFPIRSWAK-UHFFFAOYSA-N 432.980 5.739 30 10 IKEE C=CCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc(C(C)(C)C)cc1 2329115672 XSSVXCUKWSKFMZ-UHFFFAOYSA-N 425.001 5.980 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)cc3)n2N=Cc2ccccc2Cl)cc1 2329935420 JOMPYRHUSDKSRC-UHFFFAOYSA-N 447.007 6.314 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(O)cc1O 2330078447 CRBBBZJJTBRSAR-MRXNPFEDSA-N 448.523 5.155 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccccc3)n2N=Cc2ccc(C(=O)O)cc2)c1 2330671183 IEXLYSCMIXUEAH-UHFFFAOYSA-N 442.544 5.435 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OC(=O)c1cccs1 2330681412 GNDXGAYQMUAYKS-UHFFFAOYSA-N 448.540 5.759 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(CC)cc2)cc(OC)c1OC(=O)c1ccc(C)cc1 2330767277 DGGHSYKGVRFOSA-UHFFFAOYSA-N 440.539 6.410 30 10 IKEE COc1cccc(C=Nn2c(CC(C)(C)C)nnc2SC)c1OCc1cccc(C)c1 2330799838 ITIOVZOCFMRVBQ-UHFFFAOYSA-N 438.597 5.367 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1OC 2330949356 CHAVQMCKFMGBMN-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1 2330952282 JYJHXKSBKWSHBC-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2F)c([N+](=O)[O-])c1)c1ccc(F)cc1F 2331093942 PWNICEGJSKAPMB-UHFFFAOYSA-N 427.334 5.127 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2Cl)cc1 2331142608 DIWDASHJDOXZNG-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE O=C(COc1ccc(Cl)cc1)Oc1ccc(C=CC(=O)c2ccccc2)cc1[N+](=O)[O-] 2331170251 UOZOJNQPVOWEBB-UHFFFAOYSA-N 437.835 5.129 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)c(C)c3)c(Cl)c2)cc1 2331195022 JDABBOGKKCSROU-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)c1ccc(C)cc1 2331232108 UIRAXDINZCJCPB-UHFFFAOYSA-N 440.539 6.464 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1 2331239496 FDFVZXIFZVMRPM-UHFFFAOYSA-N 425.311 6.428 30 10 IKEE CC(C)(C)c1nnc(SCc2ccccc2F)n1N=Cc1ccc(C(F)(F)F)cc1 2331394670 IVYAXKUHLHLHQV-UHFFFAOYSA-N 436.478 5.908 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 2331412658 SQTJCRBQFOQZAQ-UHFFFAOYSA-N 429.472 6.008 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccs2)cc1)c1ccc(Oc2ccccc2)cc1 2331592260 MOTKZTVLBFYCQD-UHFFFAOYSA-N 426.493 6.656 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2cnc(C)cn2)c(Cl)c1 2331661782 QERJBPOEKJYOPM-UHFFFAOYSA-N 436.895 5.179 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)C(C)(C)C)c(OC)c2)c(OC)c1 2331716566 JTCJGWCTQGOAIC-UHFFFAOYSA-N 432.900 5.213 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2OC)ccc1OC(=O)c1ccc(C)cc1 2331726692 VGZBLMDDMFIDPA-UHFFFAOYSA-N 446.499 5.526 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3sccc3C)c(Cl)c2)cc1Cl 2331818841 KGBQWAJJPFFZNC-UHFFFAOYSA-N 447.339 6.487 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2OC)ccc1OC(=O)c1ccccn1 2331878844 IDJQZZDMPRMVQX-UHFFFAOYSA-N 437.879 5.258 30 10 IKEE N#Cc1cc(NCc2cc(I)ccc2Cl)ccc1Br 2352444635 UDJNDGYSLBFMIF-UHFFFAOYSA-N 447.501 5.191 30 10 IKEE CCc1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c(Br)c1 1984355 ZGACTQYLVGZTQK-LBPRGKRZSA-N 433.371 5.087 30 10 IKEE C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)OC)[C@H]1CCc1ccoc1CNCc1ccccc1 2134453 ZISVYIIZULIHFK-XXHZYJAKSA-N 449.635 6.454 30 10 IKEE biogenic Cc1ccc(C)c(NC(=S)N/N=C2\C(=O)N(Cc3cccc(Cl)c3)c3ccccc32)c1 3041589 WVNGFJYWQHJOMA-QYQHSDTDSA-N 448.979 5.194 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(-c3ccccc3)c1[C@@H]2c1cccc(Br)c1 9152907 XKEPVSNMDWHMTM-LJQANCHMSA-N 448.364 6.040 30 10 IKEE N#Cc1cc2c(nc1SCC(=O)N1c3ccccc3Sc3ccccc31)CCCC2 9861288 JDOUAKITVJDQPW-UHFFFAOYSA-N 429.570 5.754 30 10 IKEE C=C(C)CN1C(=O)[C@H](C)Oc2cc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)ccc21 12081284 FUXJQNITBDLZJQ-KBPBESRZSA-N 449.334 5.089 30 10 IKEE Cc1ccc(NC(=S)/N=C(/Nc2nc(C)cc(C)n2)NC2CCCCC2)c(Cl)c1 14156445 MUFJNCQWQXSXDG-UHFFFAOYSA-N 431.009 5.142 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1sccc1C)N2 14455888 KXWPJCHNTNUVFP-NNMXDRDESA-N 426.607 5.246 30 10 IKEE C=C(C)COc1cccc(NC(=O)COc2ccc([C@@H](C)CC)cc2Br)c1 14832087 JIFLAFBMXZVTDK-INIZCTEOSA-N 432.358 5.935 30 10 IKEE CCOc1ccc(/N=C(\CSC(=S)N(CC)CC)Nc2ccc(OCC)cc2)cc1 27768923 MYFYXBKMVQWMLB-UHFFFAOYSA-N 445.654 5.986 30 10 IKEE CC(C)c1ccc(N/C(=N/C(=O)c2ccccc2F)NCCc2c[nH]c3ccccc23)cc1 32943358 SCAXAAIZAFOSDR-UHFFFAOYSA-N 442.538 5.871 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2OC)cc1OC 34954331 MWKZGQPESDSWGM-KPKJPENVSA-N 432.472 5.136 30 10 IKEE CCOc1ccc2c(c1)O/C(=C\c1cccc(OC(=O)c3ccc(C(C)(C)C)cc3)c1)C2=O 39856410 GDLKCMYYZKBTFU-XYGWBWBKSA-N 442.511 6.218 30 10 IKEE Cc1ccc(COc2ccc(/C=C3\S/C(=N/c4ccncc4Cl)N(C)C3=O)cc2)cc1 39864201 HENBIWFVXFRINQ-NOPZMTQPSA-N 449.963 5.856 30 10 IKEE C=CCc1ccccc1OCCCn1c([C@@H]2CC(=O)N(C3CCCC3)C2)nc2ccccc21 40183275 ASRVGSFDWWPMOT-JOCHJYFZSA-N 443.591 5.492 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc3c2CN(CCCc2ccccc2)CO3)C1=O 41656220 AAMKYKQHHRSCEY-ONUIUJJFSA-N 441.527 5.486 30 10 IKEE C=CCOc1ccccc1C(=O)Nc1ccccc1NC(=O)c1ccccc1OCC=C 90750788 XESNJCKSMFOWPI-UHFFFAOYSA-N 428.488 5.321 30 10 IKEE C[C@@H](CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(=O)O 97974122 QOEPZHFZXUROGV-UHZRBBBJSA-N 430.629 5.632 30 10 IKEE CCCCCCCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccccc2F)c1 98021293 BLVPXYUPLGJUBI-RUZDIDTESA-N 442.600 6.684 30 10 IKEE O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1ccccc1C(F)(F)F)c1c(O)n[nH]c1N2 98036651 BBUZLNIRBWJHPO-QLJPJBMISA-N 431.439 5.154 30 10 IKEE CCCCCCCOc1ccc(NC(=S)NC(=O)c2ccc(OCC(C)C)cc2)cc1 100155635 OOZSWJRMYPRGGK-UHFFFAOYSA-N 442.625 6.197 30 10 IKEE CCOc1ccc(NC(=O)[C@H]2CC(=O)N(CC)/C(=N/c3ccc(C)c(Cl)c3)S2)cc1 100245115 XWCZEZWBMCIYPX-IPQBESIJSA-N 445.972 5.027 30 10 IKEE C=C(C)COc1ccc(NC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)cc1 100439954 DDUYSNNXMKCZJH-UHFFFAOYSA-N 441.358 6.873 30 10 IKEE Cc1ccc(/N=C2/C(=S)N(c3ccc(C)cc3)C(=N)N2/N=C/c2ccc(Cl)cc2)cc1 100566776 QMQNOQWCKYAACP-KWTRBXGDSA-N 445.979 6.105 30 10 IKEE O=C(O)c1cccc(/N=C2/S/C(=C\c3ccc(Cl)cc3)C(=O)N2c2ccccc2)c1 101133165 LNBYWFSISXFPNN-DMDNQVQLSA-N 434.904 5.847 30 10 IKEE Cc1ccc([C@@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 103093307 HJUJNWSQBWVYSQ-RKKARLDVSA-N 440.524 5.539 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc(NC(=O)CNc2ccc(C)c(C)c2)cc1 104051702 QYVGSPSNLLQOIG-UHFFFAOYSA-N 437.628 6.225 30 10 IKEE Cc1ccc(N/N=C/c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1C 169876820 JMPCWLSKKCDDHD-SSQLPREDSA-N 444.582 7.105 30 10 IKEE CCCOc1c(Cl)cc(/C=N\n2c(S)nnc2Cc2ccc(F)cc2)cc1OCC 169913661 VYYKGRLDMFJITO-CFRMEGHHSA-N 448.951 5.020 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2cccc(C)c2)cc1 169968869 VEJLXQDHDVBIOD-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccc(O)c(OCC)c1 169974288 UYLKLGHDFXRXHU-HSZRJFAPSA-N 448.519 5.041 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(OC(C)C)cc2)c(C)c1 169979173 WTVIBGKQZHQCIJ-XMMPIXPASA-N 449.547 5.312 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2cccnc2)cc1Cl 170008902 QLVFIJOIWZZRBW-FQEVSTJZSA-N 439.298 5.480 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccncc2)cc1 170017129 MXOACPGIIWMGPX-JOCHJYFZSA-N 430.479 5.301 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@@H]2c2ccncc2)ccc1F 170017133 BZRVAFJKLWLNBN-HSZRJFAPSA-N 444.506 5.610 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccc(F)cc2)cc1 170061752 ZHGRYRGUXDXVJO-JOCHJYFZSA-N 446.434 5.079 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)c1 170062873 BKGRNIKVQQEODY-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1c[nH]c2ccccc12 170075020 BURZDKAXHMZJFR-XMMPIXPASA-N 438.483 5.268 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccccc2C)c1 170086829 MHULOBXLYHWSBB-XMMPIXPASA-N 443.499 5.185 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2Cc2ccco2)cc1 170114508 AZKNDFWXAYTDFJ-XMMPIXPASA-N 439.467 5.220 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(O)cc1)c1ccc2ccccc2c1 170130411 RTCUYRYIUWWVPB-QHCPKHFHSA-N 441.508 5.385 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2cccc(C)c2)cc1C 170140305 AUROGEOVTLYFBX-DEOSSOPVSA-N 445.490 5.624 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2c2ccc(F)cc2)c1 170140487 OXPQUAVKOXYBPL-XMMPIXPASA-N 445.490 5.704 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@H]1c1ccccc1OC(C)C 170151102 FDLOFSDXHJJJAW-OAQYLSRUSA-N 443.927 5.124 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCC)cc1 170216062 QBXOBCIOGVTAIU-RUZDIDTESA-N 443.543 6.007 30 10 IKEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc2ccccc12 170220585 ZGISDZVCBGEPRF-RUZDIDTESA-N 437.495 5.218 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccccc2)c1 170225092 NYDIJKPHLVEURJ-VWLOTQADSA-N 441.527 5.875 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@@H]1c1ccc(C(C)C)cc1 170245519 CDBOTEFFADFGOJ-DEOSSOPVSA-N 435.564 5.930 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(C(C)C)cc2)cc1C 170246301 QVLPRYWKSKANTH-XMMPIXPASA-N 433.548 5.648 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccco2)ccc1OCC(C)C 170286391 HSPHUPDNRIUPST-HSZRJFAPSA-N 431.488 5.406 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1ccco1 170290300 BOANBPYTIFCCGW-FQEVSTJZSA-N 437.879 5.341 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(Cl)c3)[C@H]2c2ccc(C)o2)cc1 170303837 LHDSEYKUROMBIW-HXUWFJFHSA-N 442.298 5.986 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2cc(F)ccc2F)o1 170306154 XZVDQUXWOXSXOS-LJQANCHMSA-N 429.806 5.303 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2sccc2C)cc1 170315069 TVEVUDRKTWKFCD-NRFANRHFSA-N 428.513 5.629 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2CCC)c1 170323524 UPFVLLMWTCCENO-QHCPKHFHSA-N 437.536 5.251 30 10 IKEE CCOc1cc([N+](=O)[O-])cc(C=Nc2cccc(NC(=O)c3ccccc3Cl)c2)c1O 252642734 ZPBDKTMLFSLHGD-UHFFFAOYSA-N 439.855 5.355 30 10 IKEE Cc1ccc(N=C2S/C(=C3/Sc4ccccc4N3C)C(=O)N2c2ccccc2)cc1 254491489 UEJXYZVJWOOHTC-CSFSZXLXSA-N 429.570 6.174 30 10 IKEE Cc1cc(C)nc(N2Cc3ccccc3C2=NC(=O)c2cccc(Oc3ccccc3)c2)n1 254567006 QKYUVXJCJGRLBN-UHFFFAOYSA-N 434.499 5.493 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(F)cc2)c1 526487599 CPCTYHYJDDZZLD-VWLOTQADSA-N 442.490 5.933 30 10 IKEE COc1cccc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1OC 526489515 VOQNJXFULLXBMP-JOCHJYFZSA-N 446.890 5.286 30 10 IKEE Cc1cccc([C@H]2C(c3ccc(Cl)cc3Cl)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 526490692 OEUVHLOCBVSMKQ-QFIPXVFZSA-N 435.310 6.231 30 10 IKEE CCCOc1cccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)c1 526515192 IBZQIRBSCXYONF-DEOSSOPVSA-N 428.463 5.543 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccc(Cl)c2)c1OC 526523210 WDIKKOAYPXYWAI-QFIPXVFZSA-N 446.890 5.286 30 10 IKEE Clc1ccc(COc2cccc(/C=N\n3cnnc3SCc3ccccc3)c2)cc1 526800648 REEWDROXAAELME-WGARJPEWSA-N 434.952 5.685 30 10 IKEE Oc1ccccc1/C=N\n1c(Cc2ccccc2)nnc1SCc1ccccc1Cl 526816647 HKAANPCBGDFDCO-MYYYXRDXSA-N 434.952 5.402 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1ccc(O)c(OC)c1 526824135 MARUEYPIZQJADR-YVNNLAQVSA-N 437.352 5.036 30 10 IKEE C=C(C)CN(c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(OC(C)C)cc1 586256615 ZNTADRLMQOXVLS-UHFFFAOYSA-N 429.460 5.144 30 10 IKEE C=CCCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(OC(C)C)cc1 586258637 BOEKHZQMXCOZPR-UHFFFAOYSA-N 437.561 6.038 30 10 IKEE N#Cc1cccc(NC(=O)Nc2ccc(C(=O)Nc3ccc(Br)cc3)cc2)c1 586721974 GWDQQNMBSGVQRN-UHFFFAOYSA-N 435.281 5.217 30 10 IKEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1ccc(OCc2ccccc2)cc1 698396481 GQPGUBXVXRTGBA-XMMPIXPASA-N 437.584 5.409 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@@H](C#N)c1ccc(Br)c(F)c1 698852902 SWMAIPRADKWXMW-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]([C@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 699658888 LBANDZILHBDERD-XDHUDOTRSA-N 447.551 5.497 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1nc(C)c(Br)s1 719322031 MQUFLMZDFRIIQD-CYBMUJFWSA-N 438.347 5.229 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCC[C@H](NC(=O)OC(C)(C)C)C2)c1 724031100 WIYMJKFXNMADAP-MHECFPHRSA-N 429.561 5.466 30 10 IKEE C[C@@H]1CC[C@@H]2C(C)(C)[C@]2([S@+]([C@]23C[C@H](C)CC[C@H]2C3(C)C)[C@]23C[C@H](C)CC[C@@H]2C3(C)C)C1 1082709462 RGSZMTQAHFQKSE-YOCBYMSVSA-N 443.805 8.249 30 10 IKEE Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1C=NN(Cc1ccccc1)c1ccccc1 1084443955 MGHUIQLYWVAMSH-UHFFFAOYSA-N 425.492 5.438 30 10 IKEE COc1ccccc1/C=C1\SC(=Nc2ccncc2Cl)N(C2CCCCC2)C1=O 1772736481 LGMCVDLFLUIGOF-MJBUPYINSA-N 427.957 5.680 30 10 IKEE Cc1ccc(C)c(C(=O)C[C@H]2SC(=Nc3ccc(O)cc3)N(c3ccc(O)cc3)C2=O)c1 1772760083 PGDFQSNXABNCKC-HSZRJFAPSA-N 446.528 5.124 30 10 IKEE C[C@@H](CCC[C@H](C)[C@H]1CC[C@@H]2[C@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)C(=O)O 1848438096 BQGIGUVHOKYXEI-PVWMYHIPSA-N 428.613 5.408 30 10 IKEE COCCCN(C(=O)C12CC3CC(CC(C3)C1)C2)[C@@H](C#N)c1cccc(Br)c1 1857958195 GRLLXUJRNIZTHN-DSQUVOCVSA-N 445.401 5.095 30 10 IKEE COc1cc(/C=C/C(=O)C(=O)N(c2ccccc2)C(C)C)ccc1OCc1ccccc1 1860728542 PIFMOGCASWFLJG-JQIJEIRASA-N 429.516 5.298 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(CCCC)cc2)n(Cc2ccc(F)cc2)n1 1862334790 MOXMNNWGPBKSNQ-UHFFFAOYSA-N 431.555 5.894 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(F)cc2)n(-c2ccc(Cl)c(Cl)c2)n1 1862372760 HJQWURUZUVQYIR-UHFFFAOYSA-N 430.310 5.799 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1C 1862406715 WLOSLBGVHVZYHA-LJQANCHMSA-N 433.426 5.009 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(Cl)c(Cl)c1 1862416011 JBJSNPJIYPYFDJ-MLCYQJTMSA-N 440.273 5.648 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCCc2ccccc2)[C@@H]1c1ccccc1)c1cccc(Cl)c1 1862441515 JROZSTWKEVKPCS-XMMPIXPASA-N 445.946 5.941 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2cccc3ccccc23)cc1 1862480728 MWPMAERDFYETOA-AREMUKBSSA-N 433.507 5.927 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccc(C)c1 1862489437 BSHVXAVIBVWLIY-VWLOTQADSA-N 433.592 6.551 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCCN3CCCC3)[C@H]2c2ccccc2C)c1 1862489643 FEGDJGYEDNHCQV-VWLOTQADSA-N 446.591 5.066 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1c(F)cccc1Cl 1862494130 GAVQDOFOMWKZTJ-NRFANRHFSA-N 429.919 5.864 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(OCc2ccccc2)cc1 1862499420 HHHAUHBCOVSGGO-RUZDIDTESA-N 441.527 5.481 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)c1 1862675040 AKILNPLFXZINLI-HSZRJFAPSA-N 449.909 5.874 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1c(Cl)cccc1Cl)c1ccc(F)cc1 1862682062 FNEKPSQLENFRSY-HXUWFJFHSA-N 448.321 6.044 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)cc1 1862686924 CSKLVDJGFKNLGJ-CUHUQNRHSA-N 433.548 5.415 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2ccc(C)cc2)cc1 1862687476 LEELLCZVSIFGIO-VWLOTQADSA-N 441.527 5.215 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc(F)c1 1862687943 QCEKRLWFNLJMJU-QHCPKHFHSA-N 439.527 5.773 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2cccc3ccccc23)c1 1862705030 OPHJKNBLIIZTFF-AREMUKBSSA-N 449.506 5.627 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862744841 VYHJEVDEIILZIP-SFHVURJKSA-N 449.290 5.136 30 10 IKEE CC(C)c1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(F)cc3)C2=O)cc1 1862768402 LHWDKYAMULYUMX-UHFFFAOYSA-N 425.463 5.217 30 10 IKEE CCCCCCCCN1C(=O)C(NCCc2cccs2)=C(c2ccc(OC)cc2)C1=O 1863671227 MATVFEZLKRGUAV-UHFFFAOYSA-N 440.609 5.029 30 10 IKEE N#Cc1cccc(C(=O)N(c2ccc(Cl)cc2)C2CCN(Cc3ccccc3)CC2)c1 1865857526 OOFXUKPWMYGKQJ-UHFFFAOYSA-N 429.951 5.523 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)[C@H](Cc2ccccc2)c2ccccc2)c1 1865953866 YECOQUZZXUXCAS-AREMUKBSSA-N 444.534 6.063 30 10 IKEE C=CCN(CC=C)c1cc(N2C[C@H](C)Cc3c(C)ccc(C)c32)nc(-c2ccc(F)cc2)n1 1869273818 KCEYNJPTBVVHBO-LJQANCHMSA-N 442.582 6.408 30 10 IKEE CC(C)(C)c1ccc(/C=C/C(=O)Nc2c(C#N)nnn2-c2ccc(Cl)c(Cl)c2)cc1 1870141039 WHMIXCONJATGKX-IZZDOVSWSA-N 440.334 5.395 30 10 IKEE CCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CN1CCC(N(C)C)CC1 1870352887 CMMVZYOTXAWJCX-UHFFFAOYSA-N 433.681 5.160 30 10 IKEE CCCCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CN1C[C@@H](C)C[C@@H](C)C1 1870353037 NFMZWYWBGOIGHO-PLQXJYEYSA-N 446.720 6.892 30 10 IKEE CCCCCCCCCCn1cc(OCC)c(=O)cc1CN(CCCC)CCCCCC 1870366806 JVGJWBXOIPCKGE-UHFFFAOYSA-N 448.736 7.570 30 10 IKEE CCCCCCCCCCn1cc(OC)c(=O)cc1CN(CCCC)CCCCCC 1870553889 NIORVVBJYUYZCM-UHFFFAOYSA-N 434.709 7.180 30 10 IKEE CCCCCCCCCCn1cc(OCCCC)c(=O)cc1CNc1ccccc1CC 1871112745 RJBOANLCBFIQFG-UHFFFAOYSA-N 440.672 7.342 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O3)CN(CCCOC(C)C)CO2 1871346175 LHYRVUQYIOJZEM-IWIPYMOSSA-N 449.591 5.876 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc4c3CN([C@@H]3CCCC[C@H]3C)CO4)C2=O)cc1OC 1871350833 WSRZWJAWDVQEQN-ZVBAGXSISA-N 435.520 5.051 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OC(=O)c4ccc(Cl)c(Cl)c4)cc(C)c3C2=O)c1 1871372565 YJLXMOMJGNFOMP-FBHDLOMBSA-N 439.294 6.446 30 10 IKEE CCCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871378602 VHFIDVAHEZTPME-QDXGEHQNSA-N 444.458 5.850 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc(OC(=O)c3ccc(OCC(C)C)cc3)c2C)C1=O 1871383721 RNWRPRRNPXKNSE-XKZIYDEJSA-N 448.540 6.235 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccco2)C3=O)cc1Cl 1871401950 ODGZSPZVCKMHMF-RANIVTSPSA-N 437.879 5.572 30 10 IKEE COc1ccc(OCCOc2cc(C)c3c(c2)O/C(=C\c2ccccc2OC)C3=O)cc1 1871415077 ULOPKORXAUSVIP-IWIPYMOSSA-N 432.472 5.086 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OCc4cc(C)c(C)cc4C)c3C)C2=O)cc1OC 1871417115 CHMBVBWEECJMIQ-WGARJPEWSA-N 444.527 6.133 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)CCCC 1871819231 GUVIOCDWODDAID-QHCPKHFHSA-N 436.662 5.390 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(C(C)C)cc1)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1871830439 VZGYEVCGGKTEMC-XMMPIXPASA-N 442.625 5.267 30 10 IKEE Cc1sc([C@H](C#N)C(=O)CSc2nc3ccccc3s2)nc1-c1ccc(F)cc1 1872728001 JWLOVXJUDCBRIC-OAHLLOKOSA-N 439.562 5.836 30 10 IKEE N#C[C@@H](C(=O)COc1ccc(Cl)cc1)c1nc(-c2cccc(Br)c2)cs1 1872763704 RZRGXJYSDUHJLZ-INIZCTEOSA-N 447.741 5.481 30 10 IKEE COc1cccc(OC)c1C(=O)[C@H](C#N)c1nc(-c2ccc(Br)cc2)cs1 1872765009 DXRCYQVMJLRMMF-AWEZNQCLSA-N 443.322 5.080 30 10 IKEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3cc(C)c(Cl)c(C)c3)n2)cc1 1872769956 DWFUFHIYSYCYNX-FQEVSTJZSA-N 438.980 6.424 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-c4ccccc4)cc3)n2)c(C)c1C 1872778731 SCMVINCSMPQDOQ-HSZRJFAPSA-N 438.552 6.593 30 10 IKEE N#Cc1cccc(C(=O)Nc2nnc(-c3ccc(Oc4ccc(Cl)cc4)cc3)s2)c1 1873459204 ZFDJWKJURLISJQ-UHFFFAOYSA-N 432.892 5.775 30 10 IKEE CCOc1cc(/C=N/Nc2ccc3c(=N)[nH][nH]c3c2)ccc1OCc1ccc(Cl)cc1 1873792829 OIYGNBXGZAVYBZ-LGJNPRDNSA-N 435.915 5.053 30 10 IKEE CCCOc1cccc(/C=N/n2c(COc3ccccc3Cl)nnc2SCC)c1 1874267483 ZPRWCTUCRGVJES-OEAKJJBVSA-N 430.961 5.294 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccccn2)c(C)c1 1874325748 FQHRSDUTBXXRDN-MZJWZYIUSA-N 447.539 5.183 30 10 IKEE Cc1cccc(/C=N/n2c(CCOc3ccccc3)nnc2SCc2ccccc2C)c1 1874344952 NFZHLWBHUNRVJO-OVVQPSECSA-N 442.588 5.691 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2[C@H](C)c2ccccc2)cc1 1874392396 KRAJNRBFLITHDC-ADIMLFFHSA-N 426.589 6.221 30 10 IKEE Cc1cccc(CSc2nnc([C@H](C)c3ccccc3)n2/N=C/c2ccccc2Cl)c1 1874394444 MQSDVXLJTANNMA-BWJYWGHISA-N 447.007 6.566 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCc3ccccc3)nnc2[C@H](C)c2ccccc2)cc1 1874395463 NEEIWQNJXQPYLE-YFHGFKKUSA-N 440.616 6.728 30 10 IKEE COc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccccc2)cc1O 1874407564 DNNTXUAXMUYQSM-PCLIKHOPSA-N 436.581 5.290 30 10 IKEE C=CCSc1nnc(-c2ccccc2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874429258 ZXZFLXBAAXPWIZ-NLRVBDNBSA-N 426.545 5.684 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1/N=C/c1cccc(C)c1 1874477668 FLIUVKHTPKLLQI-MFKUBSTISA-N 435.597 5.159 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(C)(C)C)n2/N=C/c2ccc3c(c2)OCCO3)c1 1874484169 IRTZKYXIHYVYCJ-AFUMVMLFSA-N 436.581 5.138 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2ccccc2C)cc1 1874489111 ZYDPDSQWHUUHTG-YZSQISJMSA-N 436.625 6.138 30 10 IKEE O=[N+]([O-])c1ccccc1/C=N/n1c(SCc2c(F)cccc2Cl)nnc1C1CCC1 1874498568 PJBZZILPLHHNOW-FOKLQQMPSA-N 445.907 5.421 30 10 IKEE COCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1c(Cl)cccc1Cl 1874500006 GFYDNBXGDFFVPW-LSFURLLWSA-N 425.316 5.045 30 10 IKEE CCCOc1c(/C=N/n2c(CCC)nnc2SCc2ccc(F)cc2)cccc1OC 1874503363 DPZLGJQCFOYLNL-MFKUBSTISA-N 442.560 5.342 30 10 IKEE Cc1nnc(SCc2cccc(F)c2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874531004 MKJFDUKIRKDONE-CVKSISIWSA-N 432.524 5.479 30 10 IKEE Cc1ccccc1CCc1nnc(S)n1/N=C/c1ccc(OCc2ccc(F)cc2)cc1 1874562469 YPWUDJPXDDQPPT-JVWAILMASA-N 446.551 5.261 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(C)cc2C)c1OCc1ccccc1Cl 1874578837 JJLNNLDFXCOQCA-PKNBQFBNSA-N 441.354 7.094 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)N[C@H](C)c2ccccc2)cc1Cl 1874590287 CJHIBLTVXKGCSD-QIXNEVBVSA-N 449.934 5.501 30 10 IKEE CCCNC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1cc(Cl)ccc1Cl 1874591719 YKKJYCJQQDPGCO-XVNBXDOJSA-N 426.727 5.448 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccc(CC)cc3)c2)cc1 1874593393 HRNCJAOQCFEJBY-XMHGGMMESA-N 441.571 6.505 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OCC(=O)Nc1ccc(F)cc1 1874598380 JOZGUAPPCLCOFG-WTDSWWLTSA-N 441.405 5.026 30 10 IKEE O=C(/C=C/c1ccc(OCc2c(F)cccc2Cl)cc1)c1ccc(Br)cc1 1874608162 ZJVVBBAPBPZOGK-AWNIVKPZSA-N 445.715 6.717 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OCC(=O)Nc1cccc(C)c1 1874609562 YKGWILKKNYXOJJ-RIYZIHGNSA-N 445.515 5.316 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 1874613499 XPYUCIKSNOYUSG-NYYWCZLTSA-N 447.745 7.131 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)c1OCCc1ccccc1 1874614121 FUEJEVCHAJAZRJ-MDWZMJQESA-N 441.354 6.910 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)ccc1OCCc1ccccc1 1874622261 VBOMWTDKYFNKJL-DHZHZOJOSA-N 430.500 5.374 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc(Cl)c1OCCO 1874628347 YMZRUXJKTFMEDA-MDWZMJQESA-N 438.907 5.798 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)CCc3ccccc3C)c2)cc1 1874696607 IIKWVUAELQFATE-OVCLIPMQSA-N 430.500 5.447 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2)cc1OC(=O)[C@H]1C[C@@H]1c1ccccc1Cl 1874700432 SIERKQKETRZVFT-DYEAYBGSSA-N 432.903 5.954 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3ccc(C)c(C)c3)c2)cc1 1874701686 GHVDOHZDKZWZRV-OQLLNIDSSA-N 444.527 5.973 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)COc3ccc(C)c(C)c3)c2)cc1C 1874718100 SBZZYSCYYKHZCR-ZRDIBKRKSA-N 444.527 5.809 30 10 IKEE C=CCN(CC=C)CCC(=O)c1cccc(NC(=O)COc2ccc(C)cc2C(C)(C)C)c1 1874721089 GLLNAQGTPLCFCB-UHFFFAOYSA-N 448.607 5.557 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)c3ccccc3)c([N+](=O)[O-])c2)cc1 1875100554 GXJNPHUVLJFZON-HAZIXKIPSA-N 429.472 5.762 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(Cl)c1OC(=O)c1cccs1 1875101891 GIJHCBKIBJBCPN-MDZDMXLPSA-N 442.920 5.924 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 1875126782 WWIGERHAJLQGIY-AWNIVKPZSA-N 435.863 5.683 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)c(C)c3)c(OC)c2)cc1 1875131193 LQNDRLYJFDSQHF-VGOFMYFVSA-N 430.500 5.826 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)c1ccc(OC(C)=O)cc1 1875134499 VESGYJQXONIBBL-AWNIVKPZSA-N 444.483 5.353 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)c1ccncc1 1875142018 HRHRBZDGDSCLGW-QPJJXVBHSA-N 439.870 5.697 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2Cl)cc1 1875158371 SGNJTDXKBNDBCL-WLRTZDKTSA-N 438.882 5.922 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccccc2C)c(Cl)c1 1875170863 TXXHATBIIWVVMM-PKNBQFBNSA-N 434.919 6.389 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N1C[C@@H](C)C[C@@H](C)C1)n2CC 1875201244 KCHIBHOWFIDVKU-OYRHEFFESA-N 441.664 6.122 30 10 IKEE C=C(COCC)[C@H](NC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875689112 BPVYAHPXXWCYGG-WUFINQPMSA-N 447.575 5.059 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)CC12CCC2 2038100797 JPQYWMUPZXLDCC-VWLOTQADSA-N 447.620 5.772 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CC(C)(C)[C@@H]2OCc2ccccc2)cc1 2038723537 DHSPLOHEVZKBAS-BKMJKUGQSA-N 436.552 5.714 30 10 IKEE COc1ccc(C(=O)C(=Cc2cc(OC)c(OC)cc2OC)c2nc3ccccc3o2)cc1 2040470330 TYQQTMYXCXESNK-UHFFFAOYSA-N 445.471 5.286 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3)cc2C=CC(=O)c2cccc3ccccc23)cc1 2042434885 JUYXHMMZRRASHC-UHFFFAOYSA-N 430.507 6.597 30 10 IKEE O=[N+]([O-])C(C=Nc1ccc(C2CCCCC2)cc1)=CNc1ccc(C2CCCCC2)cc1 2053509013 LEOQHCSULHBRTG-UHFFFAOYSA-N 431.580 7.715 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@H]2C(C)C)cc1 2067954703 KBTNHWITPCNYPN-NBGIEHNGSA-N 443.588 5.664 30 10 IKEE O[C@H](C[C@@H]1CCC[C@@H]2O[C@@H]12)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071325284 VNSIDHNYFRPCNB-CBZDIVBHSA-N 430.544 5.836 30 10 IKEE COc1ccc(C(=O)C(=NNc2ccccc2C(F)(F)F)c2nc3ccccc3[nH]2)cc1 2079493816 IWZFZWUQAVVXTP-UHFFFAOYSA-N 438.409 5.289 30 10 IKEE CCCOc1ccc([C@H](C(C)C)n2nc(C3CCC3)c(C=NO)c2Br)cc1 2080064087 NQUYGTLCJYCLLN-FQEVSTJZSA-N 434.378 5.755 30 10 IKEE Fc1ccc(-c2c(C(F)(F)F)nn(C(F)(F)F)c2Br)c(C(F)(F)F)c1 2080801422 GFEUBOIKBWIMOO-UHFFFAOYSA-N 445.054 5.966 30 10 IKEE CCCc1ncc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)s1 2114348966 ZVHVOYVEHXCSPF-HNNXBMFYSA-N 436.375 5.864 30 10 IKEE CC[C@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1Cc1ccc(C#N)cc1Cl 2174566889 ZWKRGHVXJLPIEH-VXKWHMMOSA-N 425.960 5.223 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](CNc2cc(Br)ccc2C#N)[C@@H]2CCCC[C@@H]21 2179389813 JBJVWKOQXBOTNW-IEZWGBDMSA-N 434.378 5.158 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)C1(C#N)CC2(C[C@H]2C(F)(F)F)C1 2205165934 YSMYSTCJKRUGME-RWBZWWBESA-N 445.279 5.815 30 10 IKEE C=C(COCc1ccccc1)[C@H](CCC[C@H](NC(=O)OC(C)(C)C)C(C)C)NCCC 2214445311 YICCRRFHBQZKMB-ZEQRLZLVSA-N 432.649 5.847 30 10 IKEE CN[C@@H](C#Cc1ccccc1Br)c1cccc(NC(=O)OC(C)(C)C)c1C 2235723781 HVANPWFJUOPZHP-FQEVSTJZSA-N 429.358 5.417 30 10 IKEE CCCCCC#CC[C@@H](O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237393229 XYPQLQQEKLBXLY-VQTJNVASSA-N 438.406 5.220 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)C1=CCCCCCC1 2237403701 YGZBHNQKJPWDMC-IBGZPJMESA-N 436.390 5.735 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1sc(Br)c(C)c1C 2265903982 IDDXYEAHQIELDZ-HZPDHXFCSA-N 443.451 5.475 30 10 IKEE C=CC[C@@]1(COc2ncc(Br)cc2C)CCCN(C(=O)OC(C)(C)C)C1 2272150569 PYICIZIXBBBIRC-HXUWFJFHSA-N 425.367 5.125 30 10 IKEE C=CCCC1(C(=O)Nc2c(C)cc(C)cc2Br)CN(C(=O)OC(C)(C)C)C1 2281015402 VSTRTESADHBNDS-UHFFFAOYSA-N 437.378 5.208 30 10 IKEE C=C[C@@]1(Oc2ccnc3ccc(Br)cc23)CCCN(C(=O)OC(C)(C)C)C1 2285337018 NORYKOCTVVDKJE-OAQYLSRUSA-N 433.346 5.332 30 10 IKEE C[C@H](NC(=O)OC(C)(C)C)c1ccc([C@@H](N)C#Cc2cccc(Br)c2)cc1 2296223666 CBAPMKIAIJWKAV-YWZLYKJASA-N 429.358 5.086 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(OCCCOc3cccc(C)c3C)cc2)SC1=S 2297624694 CZNBATQQVODPSD-UHFFFAOYSA-N 439.602 5.539 30 10 IKEE C=CC[C@@H](Oc1cc(Br)c(Cl)cc1N)[C@@H]1CCN1C(=O)OC(C)(C)C 2314297403 HBDMSQPYGBGHIR-LSDHHAIUSA-N 431.758 5.018 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2c2nccs2)cc1 2314474694 LARMWQFPCHDOAN-JOCHJYFZSA-N 444.556 5.623 30 10 IKEE O=C(C=Cc1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(-c2ccc(F)cc2)o1 2314482533 NIMQQGDJSCJHHU-UHFFFAOYSA-N 427.258 7.549 30 10 IKEE CCOc1cc(C=NNc2nc(-c3ccccc3OC)cs2)cc(Cl)c1OC(C)C 2318418212 UAMRVIXEZMLXBI-UHFFFAOYSA-N 445.972 6.104 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(C(C)(C)C)cc1 2321048197 RDOVXCYHBNWYLK-UHFFFAOYSA-N 447.435 6.619 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OCC=Cc4ccccc4)ccc3C2=O)cc1 2321815492 HLRSGJHQHYGOMP-UHFFFAOYSA-N 425.528 6.241 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1c(F)cccc1Cl)C3=O)CN([C@H]1CCCC[C@@H]1C)CO2 2322391808 OLVGWSOABWHPCH-QKKBWIMNSA-N 441.930 6.134 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc([N+](=O)[O-])cc1)C3=O)CN([C@H]1CCCC[C@H]1C)CO2 2322391883 ZUKXCNBBOYRBHU-VFNWGFHPSA-N 434.492 5.250 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2c(OCC(=O)NC3CCCCC3)ccc3ccccc23)c1 2322617083 SLXSNEVDDXFIFD-UHFFFAOYSA-N 441.571 6.180 30 10 IKEE C=CCOc1c(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(Br)cc1OC 2322687588 QONRJKFHJRPBAL-UHFFFAOYSA-N 429.354 6.216 30 10 IKEE COc1cc(C=NNc2ccc(C)c(Cl)c2)cc([N+](=O)[O-])c1OCc1cccc(C)c1 2322974200 VHCDZDQDEACLFB-UHFFFAOYSA-N 439.899 5.899 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCCc1ccccc1)c1cc(Cl)ccc1Cl 2323002922 QAFIPGCFBVWINW-UHFFFAOYSA-N 431.746 7.164 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCc2ccc(Cl)cc2)c(OC)c1OC 2323028775 UXXRZMSBPZZCDA-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OCc2c(Cl)cccc2Cl)c1 2323177331 BOEMDCKWRUUMGR-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE O=C(CC(c1ccccc1)c1ccccc1)Oc1ccc2c(c1)OC(=Cc1ccccc1)C2=O 2323536768 KHRQVFUPJZSDEG-UHFFFAOYSA-N 446.502 6.430 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O)c1cc(Cl)ccc1Cl 2323580968 GGRZRXPBUKOEMQ-UHFFFAOYSA-N 429.230 5.968 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccccc3Cl)cc2OC)o1 2323627228 ZICJUSOGVDFMAW-UHFFFAOYSA-N 440.879 5.593 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Cl)c1OCc1ccc(F)cc1 2323965784 AIFFFQMGLUCYLN-UHFFFAOYSA-N 428.862 6.410 30 10 IKEE Cc1cc(O)c(CN2CCCc3ccccc32)c2c1C(=O)C(=Cc1ccc(N(C)C)cc1)O2 2324025514 JHQSIIKLXTYSSM-UHFFFAOYSA-N 440.543 5.336 30 10 IKEE O=C1C(=Cc2c(F)cccc2Cl)Oc2c1ccc(O)c2CN1CCc2ccccc2C1 2324111213 WYGLJOHFNKNFSU-UHFFFAOYSA-N 435.882 5.359 30 10 IKEE CCOc1c(Br)cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc1OC 2324233709 MAJPWVOFNOSIJD-UHFFFAOYSA-N 447.369 6.059 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccc(OCc2cccc(F)c2)cc1 2324324719 QVKZULDYUMJMNF-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OCc1ccc(F)cc1 2324455947 ZQAITXZGGIJADJ-UHFFFAOYSA-N 430.519 6.655 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccc(F)cc2)C3=O)c(C)c1 2324494534 XKKPKKMEPCGURF-GOSISDBHSA-N 445.490 5.773 30 10 IKEE COc1ccc(C=C2Oc3cc(OCCCCOc4ccc(C)cc4)ccc3C2=O)cc1 2324585293 OWERFFWIRLZVCL-UHFFFAOYSA-N 430.500 5.858 30 10 IKEE CCCC[C@H](Oc1ccc2c(c1C)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O)C(=O)O 2324781845 CWDQGRMJUGBWCR-DEOSSOPVSA-N 442.511 6.300 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1cccc(Cl)c1)C2=O 2325141862 DYCSRUSVBNWYLB-QGZVFWFLSA-N 447.918 5.979 30 10 IKEE Cc1c(O[C@H](C)C(=O)Nc2ccc(C#N)cc2)ccc2c1OC(=Cc1ccccc1F)C2=O 2325302228 NJWLEDMUHCGSME-MRXNPFEDSA-N 442.446 5.028 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccccc1Cl)C2=O 2325494397 SBTQOQDQXNLAED-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE CC(=O)c1ccccc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1cccc(C)c1)C2=O 2325571677 GRXNZSVNYBJQEZ-UHFFFAOYSA-N 441.483 5.140 30 10 IKEE COc1ccc2ccccc2c1C=Nn1cnnc1SCc1c(Cl)cccc1Cl 2325669375 CFRJCTPJAXPVJG-UHFFFAOYSA-N 443.359 5.921 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)[C@H](C)Oc3ccc(Cl)cc3)c2)cc1 2325719162 IQVCOBGEEHPBMB-KRWDZBQOSA-N 436.891 5.618 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3ccc(Cl)c(C)c3)c2)c(C)c1 2325736194 KROZZAGKZYUEBI-UHFFFAOYSA-N 434.919 6.146 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OC(=O)CCCOc1cccc(C)c1 2325737851 ZEAQYIYHCCGMEW-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(C)cc3)c2)c(OCC)c1 2325762700 TYMQNNZOTBOOBV-UHFFFAOYSA-N 430.500 5.908 30 10 IKEE COc1ccc(C(=O)Oc2cccc(C=CC(=O)c3c(C)cc(C)cc3C)c2)cc1[N+](=O)[O-] 2325764943 YEGXFMMEGWUDQE-UHFFFAOYSA-N 445.471 5.644 30 10 IKEE CCSc1nnc(CCCOc2ccccc2C)n1N=Cc1cccc2ccccc12 2327082305 KIFSGQWZFFYXBP-UHFFFAOYSA-N 430.577 5.746 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2ccccc2F)n1N=Cc1ccco1 2328557280 DEFFPDHDXPVVTD-UHFFFAOYSA-N 436.512 5.381 30 10 IKEE CCCSc1nnc(CCc2cccc(OC)c2)n1N=Cc1ccc(Cl)c(Cl)c1 2328653612 HPVVAXIQDJWWEL-UHFFFAOYSA-N 449.407 5.763 30 10 IKEE CCSc1nnc(CCc2ccccc2OC)n1N=Cc1c(Cl)cccc1Cl 2328685506 IDFZCPHOIIXYPL-UHFFFAOYSA-N 435.380 5.373 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3F)n2N=Cc2cccc(O)c2)cc1C 2329429778 LTCDUZLKZXKUFO-UHFFFAOYSA-N 446.551 5.505 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1 2330881403 OKQMZVFDWFNNSS-UHFFFAOYSA-N 427.338 6.221 30 10 IKEE CCSc1nnc(C2CCCC2)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2331054860 KYMYLFCULZXOFJ-UHFFFAOYSA-N 441.000 6.162 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccs2)c(Cl)c1)c1ccc(Cl)c(Cl)c1 2331242372 UYOMECDRJLMWFS-UHFFFAOYSA-N 437.731 6.824 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccnc2)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 2331244999 LMYBUDAAUCMSKY-UHFFFAOYSA-N 443.242 5.412 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3ccccc3)c(Cl)c2)cc1 2331265957 IRNJZLKEQMAVRV-UHFFFAOYSA-N 434.919 6.309 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)CCOc1ccccc1 2331282109 FDSRRANUQHOQHO-UHFFFAOYSA-N 430.500 5.664 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1ccc(C(C)C)cc1 2331319293 BLPFJXBKFRLDDV-UHFFFAOYSA-N 435.597 5.357 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c(Cl)c2)c1 2331320327 ZKHICAHQLCDOLS-UHFFFAOYSA-N 435.863 5.980 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)Cc1ccc(F)cc1 2331503115 UOOSBXPSNQJVDE-UHFFFAOYSA-N 446.518 6.392 30 10 IKEE C=C(C)CSc1nnc(C2CCC2)n1N=Cc1ccc(OCCCCC)c(OCC)c1 2331519228 HPJYBQFGAWFLIA-UHFFFAOYSA-N 442.629 6.064 30 10 IKEE COCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc(F)cc1 2331612015 TWOAFCIUFYLNPB-UHFFFAOYSA-N 425.316 5.045 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)c(C)c1C 2331612443 XCWGNHCYIJYSAA-UHFFFAOYSA-N 442.555 6.725 30 10 IKEE CCCSc1nnc(CCC)n1N=Cc1c(OCc2ccccc2)ccc2ccccc12 2331657637 LSZXPHPUOOQIQT-UHFFFAOYSA-N 444.604 6.347 30 10 IKEE CC(C)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1c(F)cccc1Cl 2331690157 QUGSHHGRIXBQHX-UHFFFAOYSA-N 433.896 5.277 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OCC)cc2OCC)cc1OC 2331741071 LOOGMQBBLWVNGD-UHFFFAOYSA-N 426.509 5.484 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)c1ccncc1 2331864098 AJBODHJCOOJUBY-UHFFFAOYSA-N 428.271 5.512 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)ccc1OC(=O)C(F)(F)F 2331869716 UPHGHABGOVRIGC-UHFFFAOYSA-N 444.405 5.611 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc(C)cc(C)c3)cc2)c(OC)c1OC 2331885539 JRWGJCNARRAIJY-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE C=C[C@H](C)C[C@H](Cc1ccc(I)c(Br)c1)NCCC 2349789695 ZGNAKPJLRATRGM-GXTWGEPZSA-N 436.175 5.177 30 10 IKEE C=C(C)CCCC[C@H](NCC)[C@H](O)c1sc(Cl)cc1I 2366660020 KYRSFQLFIRPUMJ-JSGCOSHPSA-N 427.779 5.154 30 10 IKEE O=C1[C@@H](Cc2ccc(F)cc2)SC(=NN=Cc2ccc(Cl)cc2)N1Cc1ccco1 1455639 DCUGRKVJPDVMFU-HXUWFJFHSA-N 441.915 5.149 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C/c1c(F)cccc1Cl)C2=O)c1ccc(F)cc1 2423516 ASRLMKKVXIYNAT-SSDVNMTOSA-N 426.802 5.496 30 10 IKEE CCOc1ccc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 9805305 SDHHXLUJMMYDQT-DFXYEROKSA-N 446.550 6.701 30 10 IKEE C/C(=N/Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)c1ccc(Cl)c(Cl)c1 12378990 XSGACTQCKMZITC-MWLSYYOVSA-N 433.342 6.954 30 10 IKEE COc1cc(/C=C/C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1OCC#N 14831349 TUDNCZGLZZROBE-HWKANZROSA-N 444.331 5.287 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(OCCC)cc2)cc1 21237813 OXMLNWFVXAIPDW-REWPJTCUSA-N 433.548 5.269 30 10 IKEE CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)cc1 21252470 HSWJGNBPKXSFBN-PPHZAIPVSA-N 428.507 6.204 30 10 IKEE N#Cc1cccc(CSc2nnc(-c3ccco3)n2-c2cccc(C(F)(F)F)c2)c1 35840013 GXSPKVCZCOWHQU-UHFFFAOYSA-N 426.423 5.710 30 10 IKEE N#Cc1ccc(-c2ccc(OC(=O)c3cccnc3-c3nc4ccccc4s3)cc2)cc1 39881378 GSDVZXCCGNYNHB-UHFFFAOYSA-N 433.492 6.116 30 10 IKEE C=Cc1ccc(COc2ccc3c(c2C)O/C(=C\c2ccc(OC)cc2OC)C3=O)cc1 41504368 MUXMFUFNSHKUGG-QFEZKATASA-N 428.484 5.850 30 10 IKEE Cc1cc(OCc2cccc(F)c2)cc2c1C(=O)/C(=C/c1ccc(-c3ccccc3)cc1)O2 41509796 SBKPKGLBFXTYBP-YUMHPJSZSA-N 436.482 6.996 30 10 IKEE Cc1c(Br)c(/C=N/C2CCCCC2)c(C)n1-c1ccc(Br)cc1 59104384 UHMQYKZNEZLPSL-WSDLNYQXSA-N 438.207 6.371 30 10 IKEE Cc1ccc(CSc2nc3ccc(/N=C/c4ccc(Cl)cc4Cl)cc3s2)cc1 59517227 SMMFCLYKKKFJGP-BRJLIKDPSA-N 443.424 7.954 30 10 IKEE Cc1cc(C)cc(/N=C2\NC(=O)/C(=C\c3cc(C)n(-c4cc(C)cc(C)c4)c3C)S2)c1 96585222 ODEYDXCZDABXND-ZVHZXABRSA-N 429.589 6.219 30 10 IKEE O=[N+]([O-])c1ccc(/N=C/c2cc(Br)cc(Br)c2O)c(Cl)c1 101055269 YDPDKROEZVQOCY-UBKPWBPPSA-N 434.471 5.229 30 10 IKEE O=C1/C(=C/c2cccc(Cl)c2)S/C(=N/c2cccnc2Cl)N1c1ccccc1 101126869 QQBIAGPMULMEQJ-OQJKFJKISA-N 426.328 6.197 30 10 IKEE CCCCCCCCCn1c([C@@H]2CC(=O)N(c3ccccc3Cl)C2)nc2ccccc21 101325196 HPZAMCVUUOMNCE-HXUWFJFHSA-N 438.015 6.961 30 10 IKEE CCCCCCCCCCCn1c(CCNC(=O)Cc2ccccc2)nc2ccccc21 102142692 FENORRVWNMUEHV-UHFFFAOYSA-N 433.640 6.469 30 10 IKEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)C)cc2)cc1C 102739329 IJKRRXXQVUBBKI-UGUGFTGJSA-N 446.503 5.050 30 10 IKEE COc1ccc(N/N=C/c2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1 169885630 CSBUIWRSCRQLDV-MWAVMZGNSA-N 444.538 6.661 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2cccc(C)c2)cc1 169971324 RRYWFDPEUOBEFY-HSZRJFAPSA-N 449.453 5.455 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(O)c(Cl)c1 170040973 ORCFOJPXANSUPJ-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(Cl)cc2)cc1 170057550 JHRYHRRZHKFLQX-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccc(Cl)cc1)c1cccc(Cl)c1 170059407 VENVTOWYPHYLPE-HXUWFJFHSA-N 439.298 5.167 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccccn2)cc1 170067485 ADPZAMZGOWZHNZ-HSZRJFAPSA-N 446.934 5.637 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@@H]1c1ccc(OC)cc1 170116487 BGOGYQAVYNYNAW-FQEVSTJZSA-N 448.544 5.115 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2OC)cc1C 170122560 UUDDGOFDSGWGJZ-XMMPIXPASA-N 443.499 5.185 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2c2cccc(C)c2)c1 170140846 IOFLDDMULZOOKI-VWLOTQADSA-N 441.527 5.874 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2Cc2ccccn2)c1 170144237 HXXRLNKJENQBLI-RUZDIDTESA-N 438.527 5.047 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(C)c2)cc1C(C)C 170148535 PCTXNTUDDNMEED-XMMPIXPASA-N 433.548 5.648 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccccn2)cc1C 170174115 VTSCJVBRLPXGNU-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2cccnc2)cc1C 170185345 LOOCDWCYGNTRHW-XMMPIXPASA-N 442.515 5.188 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1cccnc1)c1ccc(Cl)cc1 170188542 FLTCFHAITFHSNV-LJQANCHMSA-N 425.271 5.171 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2cccnc2)cc1C 170189032 INEROUSGYJWHIW-JOCHJYFZSA-N 448.906 5.225 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccncc2)ccc1Cl 170202893 XJLNELMEMLGSTO-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccccc2)c1 170224155 DUZCRAFJOABFMD-BXKMTCNYSA-N 425.484 5.101 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2cn(C)c3ccccc23)cc1C 170269674 DAJZFBCLUOGWNV-DEOSSOPVSA-N 446.547 5.264 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1c1ccccc1C 170273118 WWAUTVHTZMHYJL-SANMLTNESA-N 433.507 6.240 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc(OCC(C)C)c3)=C(O)C(=O)N2C2CCCCC2)o1 170308123 QQOHSLGQGUFRRU-QHCPKHFHSA-N 437.536 5.534 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 170380407 PIDVHPZVTUABHJ-IBGZPJMESA-N 444.339 6.146 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2c[nH]c3ccccc23)cc1 170383485 PAZPGOTXNUCGQQ-XMMPIXPASA-N 437.499 5.469 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C(C)C)cc2)cc1O 170408681 NJQPZSFCZAJTRP-DEOSSOPVSA-N 443.499 5.307 30 10 IKEE CC(=O)Nc1cccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)c1 170470533 VORKJUZYNHGJHW-XMMPIXPASA-N 448.563 5.458 30 10 IKEE N#Cc1c(NC(=O)c2cccc(Br)c2)oc(-c2ccccc2)c1-c1ccccc1 170522113 UGSIZFXHBXWAJS-UHFFFAOYSA-N 443.300 6.500 30 10 IKEE Cc1ccc(C(=O)C2=NN(c3ccc(Cl)cc3)[C@H](C#N)[C@H]2c2ccc(Cl)cc2)cc1 248144770 HGZUSTWWQGOJEC-FGZHOGPDSA-N 434.326 6.037 30 10 IKEE COc1ccc(N=C2S/C(=C/c3cc(Cl)c(O)c(OC)c3)C(=O)N2CC(C)C)cc1 252614396 JIPUVBHDVDMKSR-CIOOEQDQSA-N 446.956 5.323 30 10 IKEE C=CCn1c(SCCC(=O)Nc2ccc(C)cc2)nnc1C12CC3CC(CC(C3)C1)C2 253571275 OTDUEHRHTFZYPT-UHFFFAOYSA-N 436.625 5.361 30 10 IKEE CCCCCCCNC(=O)c1c(N)n(N=Cc2cccc(C)c2)c2nc3ccccc3nc12 254700322 ASRMNYHYZJEDPI-UHFFFAOYSA-N 442.567 5.058 30 10 IKEE C(=NNc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1cccc(Oc2ccccc2)c1 263627805 SCOPQLAKHUHVSQ-UHFFFAOYSA-N 443.510 6.444 30 10 IKEE N#Cc1ccc(Cl)cc1Nc1cc(I)ccc1Br 310614106 AZAIWKIAROULRP-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE C[C@@H](Nc1cc(Br)ccc1I)c1cccc(C#N)c1 311711828 KBOUDZBGOGHVDN-SNVBAGLBSA-N 427.083 5.098 30 10 IKEE CC[C@@]1(C)CCSC(=Nc2c(Br)cc(Cl)cc2Br)N1 387604502 NDQCGZNEAKUNTB-ZDUSSCGKSA-N 426.605 5.748 30 10 IKEE CC1(C)OB(c2cc(Cl)ccc2NC(=O)c2cc(Cl)sc2Cl)OC1(C)C 404915448 OBAGAJZQRMGCJN-UHFFFAOYSA-N 432.565 5.260 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cn(C)c3ccccc23)c1 526488800 NEGONDTWGJBRTK-VWLOTQADSA-N 435.483 5.116 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2c(C)[nH]c3ccccc23)c1 526490388 VZHTZBYKFXGGAE-AREMUKBSSA-N 449.510 5.804 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3cccc4ccccc34)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 526491268 KWMAMSGGGLLDFY-VWLOTQADSA-N 447.450 5.677 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2c(C)[nH]c3ccccc23)cc1 526514406 FAJYCIJOWZNDLK-VWLOTQADSA-N 435.483 5.414 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccc(Cl)c2)c1 526605284 VGICYDOGSSYAGQ-XMMPIXPASA-N 444.918 6.058 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1cccc(OCC(C)C)c1 526816829 NZTBMZQUDYOFHF-QFEZKATASA-N 443.016 6.093 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C)n2/N=C\c2ccc(OC(C)C)c(Cl)c2)c1 526818454 JXLISGKHJVMOSY-MSXFZWOLSA-N 428.989 5.818 30 10 IKEE COc1ccc(/C=N\n2cnnc2SCc2cccc3ccccc23)cc1OC(C)C 526819832 FOFCICUZWVEQAG-WGARJPEWSA-N 432.549 5.402 30 10 IKEE CCCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1/N=C\c1cccc(Cl)c1 526831295 MCZOQUNQNYMTER-FMCGGJTJSA-N 446.960 5.217 30 10 IKEE C=C(C)CN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1cccc(Cl)c1 586221368 LQCBZSIVHPBHPB-UHFFFAOYSA-N 427.953 5.690 30 10 IKEE C=C1CC[C@H](O)C/C1=C\C=C1/CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@@H](C)/C=C/[C@@](C)(O)C(C)(C)O 605699009 BPEQZNMKGFTMQE-NBSXGSQDSA-N 428.657 5.871 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@@H](C#N)c1cc(Br)ccc1Cl 698945286 MWAZDNJEXZWTNI-AWEZNQCLSA-N 428.718 5.605 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@H](C#N)c1cscc1Br 698958471 QPJJUKKMCBGKNS-OAHLLOKOSA-N 427.751 6.170 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCO[C@H](C(C)(C)C)C1 721574539 HDIIMOBNXOYQGA-UWJYYQICSA-N 437.378 5.678 30 10 IKEE Cc1ccc(C(CC23CC4CC(C2)CC(CC(=NO)c2ccc(C)s2)(C4)C3)=NO)s1 725438688 QXSANBYNEGSURI-UHFFFAOYSA-N 442.650 6.850 30 10 IKEE O=[N+]([O-])c1ccc(N=Cc2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 1084252527 JWIOAPQHMSEJHN-UHFFFAOYSA-N 437.702 6.506 30 10 IKEE CN1C(=O)C[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)SC1=Nc1ccc(Cl)cc1 1084293943 NEFIJKJCXJBNCO-HNNXBMFYSA-N 442.755 5.237 30 10 IKEE C=C(CSc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-])C(=O)OC 1088701341 AWBKXYMSKFNZAU-UHFFFAOYSA-N 447.818 5.881 30 10 IKEE Cc1cc(N(CCC#N)C[C@H]2CCCO2)ccc1N=Nc1ccc(Cl)cc1[N+](=O)[O-] 1088725931 LDGXSUPFTSYLSJ-GOSISDBHSA-N 427.892 5.871 30 10 IKEE Cc1cccc(N=C2S/C(=C/c3ccc(Cl)cc3Cl)C(=O)N2c2ccccc2)n1 1772739702 YLXYTSNMEUHQFI-VYIPLNHISA-N 440.355 6.505 30 10 IKEE Cc1nc(SCC(=O)Nc2ccc(C#N)cc2)nc(O)c1-c1ccc(C(C)(C)C)cc1 1858517300 VCXMQFRHINDWIG-UHFFFAOYSA-N 432.549 5.058 30 10 IKEE N#Cc1cccc(NC(=O)Oc2cccc3c(NC(=O)c4ccc(Cl)s4)cccc23)c1 1858780096 YQTJSXIKRMNTAM-UHFFFAOYSA-N 447.903 6.290 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc3c(OC(=O)CCC4CCCCC4)cccc23)c1 1858930149 UYAWNUQTDUVMDY-UHFFFAOYSA-N 426.516 6.230 30 10 IKEE C=CCN(CC=C)C(=O)Oc1cccc2c(NC(=O)CCCOc3ccccc3)cccc12 1858947747 DAAQPCLVLOPSHR-UHFFFAOYSA-N 444.531 5.810 30 10 IKEE N#Cc1ccc(NC(=O)c2nn(Cc3ccccc3)c(-c3ccc(F)cc3)c2Cl)cc1 1859384600 MKKAVTQBERCAMT-UHFFFAOYSA-N 430.870 5.515 30 10 IKEE CCC(=O)Nc1cc(C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)ccn1 1859650573 WZKDFKQZZGJCDD-UHFFFAOYSA-N 436.471 5.481 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](C)NC(=O)CCCOc1ccc(Cl)cc1 1861712987 WSGWOYKFPWZATI-LJQANCHMSA-N 425.013 5.261 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccccc2)cc1C 1862401347 ZBJHXWPOZZAVCS-KOSHJBKYSA-N 427.500 5.343 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1cccc(OC)c1 1862413562 GMHVGLKBCALBGH-NRFANRHFSA-N 429.463 5.132 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(F)cc1F)c1ccc(F)cc1F 1862416933 MGMIJWRDCXRQEO-LJQANCHMSA-N 447.409 5.083 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccc(C)cc2)cc1 1862441431 ICDPNDPIJGMBTG-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2cccc(Cl)c2)c1 1862491717 ZINHXQPOJJEGJZ-KOSHJBKYSA-N 445.946 6.296 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)cc1 1862543703 NBSRJCIWICRTRQ-VFHOHQAYSA-N 443.587 6.031 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc(F)c2)cc1 1862617748 XZEQFZFHIIAJDI-HSZRJFAPSA-N 435.539 6.034 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(CC)cc1 1862688242 UEBCOKLDFVNPBX-RUZDIDTESA-N 449.591 6.196 30 10 IKEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2cccc(C)c2)cc1 1862733755 WQLYOJDJXIPQRW-VWLOTQADSA-N 447.575 6.085 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(N(CCC)CCC)cc2)=C(c2ccc(Cl)cc2)C1=O 1863179184 FFYKBOSRFCUQMK-UHFFFAOYSA-N 437.971 5.344 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C)cc2C)=C(c2cc(C)ccc2C)C1=O 1863401388 WWGAGORRVWQIGZ-UHFFFAOYSA-N 432.608 6.473 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCCC)=C(c2ccc(OCCC)cc2)C1=O 1863685570 NXYBVPNNVMRNCF-UHFFFAOYSA-N 428.617 5.696 30 10 IKEE CCCC[C@H](NC(=O)C[C@@H](CC(C)C)c1ccc(F)cc1)C(=O)Nc1cccc(C#N)c1 1867100232 RNWGFRFSOXGWSS-QPPBQGQZSA-N 437.559 5.531 30 10 IKEE C[C@@H](CC(=O)N[C@@H](C(=O)Nc1ccc(C#N)cc1)c1ccccc1)c1cccc(Cl)c1 1867188620 XDMCXMWZACEAOH-BXKMTCNYSA-N 431.923 5.201 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC(Cc3ccc(C(C)(C)C)cc3)CC2)nc(C(C)C)n1 1869089558 JNJIMOMTMFXCAY-UHFFFAOYSA-N 446.683 6.535 30 10 IKEE CCCCCCCOc1cn(CCCCCC)c(CNc2cc(C)cc(C)c2)cc1=O 1870839544 OWNQKZHHNXIWTQ-UHFFFAOYSA-N 426.645 7.007 30 10 IKEE C=CCn1cc(OCCOc2ccc(Cl)cc2)c(=O)cc1CNc1cc(C)ccc1C 1870883439 ZWSSKNRJADINDP-UHFFFAOYSA-N 438.955 5.374 30 10 IKEE C=CCn1cc(OCCOC(C)C)c(=O)cc1CNc1ccc(OCc2ccccc2)cc1 1870987562 WPQIQHHOXBDMEB-UHFFFAOYSA-N 448.563 5.029 30 10 IKEE CCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(C(F)(F)F)cc1 1871251733 TYEOMPDUQNGIMU-UHFFFAOYSA-N 441.453 5.340 30 10 IKEE C=CCn1cc(OCCC(C)C)c(=O)cc1CNc1ccc(OCCCCCC)cc1 1871253430 ZVSUMHCTCODMBS-UHFFFAOYSA-N 426.601 6.030 30 10 IKEE CCCCC[C@H](CC)N1COc2ccc3c(c2C1)O/C(=C\c1ccccc1OCC)C3=O 1871347820 XYJSZUCIXNVUOP-HBAFHOPNSA-N 435.564 6.212 30 10 IKEE COc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(Cc1cc(C)ccc1C)C3 1871348402 DDVXYYAUACPPTI-MXAYSNPKSA-N 441.527 5.589 30 10 IKEE CCN(CC)CCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(C(C)(C)C)cc1)C3=O 1871349196 JERKFDYXZJGAIE-UQQQWYQISA-N 448.607 5.484 30 10 IKEE CC(C)(C)c1ccc(/C=C2\Oc3c(ccc4c3CN(CCC3=CCCCC3)CO4)C2=O)cc1 1871349821 VTOGCBWBTIPVRH-ONUIUJJFSA-N 443.587 6.643 30 10 IKEE C[C@@H]1CCCC[C@H]1N1COc2ccc3c(c2C1)O/C(=C\c1c(Cl)cccc1Cl)C3=O 1871350494 INXISPLBRNCVQG-DDNFXEDJSA-N 444.358 6.340 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(C(C)C)cc1)C3=O)CN([C@@H]1CCCC[C@H]1C)CO2 1871355884 LCRIFPUGZIUUFC-KSZRPRJTSA-N 431.576 6.465 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(F)cc1)C3=O)CN(C13CC4CC(CC(C4)C1)C3)CO2 1871358694 AQSSXQRTPDBVHB-OPVMPGTRSA-N 445.534 5.871 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3C)cc(C)c2C1=O 1871373342 AQYGGKZEFFXNCH-ODLFYWEKSA-N 435.457 5.417 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(CC)cc2)C3=O)cc1 1871387833 OMDPLJQXBMXJGN-XYGWBWBKSA-N 428.484 5.873 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(OC(C)C)cc4)c3C)C2=O)cc1 1871388339 QJKKDUDDKICCRP-IWIPYMOSSA-N 444.483 5.626 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OC(=O)c3ccc(OC(C)C)cc3)cc(C)c2C1=O 1871388467 XPQUBOFPOPDPQO-BKUYFWCQSA-N 434.513 5.988 30 10 IKEE Cc1cc(O)c(CN(C)C2CCCCC2)c2c1C(=O)/C(=C/c1ccc(Cl)c(Cl)c1)O2 1871393356 GSNBNIQMMKIRSH-MTJSOVHGSA-N 446.374 6.388 30 10 IKEE Cc1c(O[C@@H](C)C(=O)Nc2ccccc2)ccc2c1O/C(=C\C=C\c1ccccc1)C2=O 1871404010 GHVJSYDAOQAFPV-UIACBHIZSA-N 425.484 5.573 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCCCOc4cccc(C)c4)cc(C)c3C2=O)c1 1871404394 ACWUADMQWDOKDZ-XYGWBWBKSA-N 430.500 5.776 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871411487 OXIPRLXXSSVFCZ-DNPFKWNUSA-N 447.918 5.925 30 10 IKEE O=C1/C(=C/c2cccc(F)c2)Oc2cc(OCc3cccc(Oc4ccccc4)c3)ccc21 1871436728 NBUBGAHLLKFNOC-YUMHPJSZSA-N 438.454 6.813 30 10 IKEE Cc1ccc(CCOc2cc(C)c3c(c2)O/C(=C\c2ccc(-c4ccccc4)cc2)C3=O)cc1 1871437642 SDTIMFLPNIQISB-CEUNXORHSA-N 446.546 7.208 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(F)c(Cl)c2)ccc2c1O/C(=C\c1ccco1)C2=O 1871441623 UONPMEWTOCHXSN-GRSHGNNSSA-N 427.815 5.014 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O)Nc1ccc(Cl)cc1F 1871446618 GGBNWBQPGQENQS-HEYHWPDRSA-N 449.865 5.669 30 10 IKEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1ccccc1 1871821927 MGSHRMVGLQQERX-QHCPKHFHSA-N 428.598 5.013 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccccc1)S(=O)(=O)c1ccc(C)c(C)c1 1872137363 SVZUYFVRGBTMNK-QHCPKHFHSA-N 428.598 5.068 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(Cl)c(Cl)c3)n2)cc1 1872762882 YRPXEUKBXWYMKU-GOSISDBHSA-N 443.399 6.878 30 10 IKEE CN(C)c1ccc(C(=O)[C@H](C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 1872763068 DCBJMYOVWBHSIK-KRWDZBQOSA-N 426.339 5.129 30 10 IKEE Cc1ccc(C)c(-c2csc([C@H](C#N)C(=O)CCCCCNC(=O)c3ccccc3)n2)c1 1872772417 ONDXKCXNRNMTTO-JOCHJYFZSA-N 445.588 5.594 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2C)C(=O)N(Cc2cccc(Cl)c2)C1=O 1873103881 DTOZMDMBFBYEQB-UHFFFAOYSA-N 438.999 5.879 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H]2CCCC[C@@H]2C)=C(c2cc(F)cc(F)c2)C1=O 1873113878 FXIKXNKSRKPUHG-LAUBAEHRSA-N 432.555 5.574 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccccc2F)=C(c2ccccc2)C1=O 1873158750 OFSYMVBIGLFPER-UHFFFAOYSA-N 436.571 5.836 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc3c(c2)OCO3)=C(c2cccnc2)C1=O 1873265742 ZAPSJWQGWUHDDH-UHFFFAOYSA-N 449.551 5.143 30 10 IKEE CCCCC1CCC(c2nnc(SCC(=O)OCCC)n2/N=C/c2ccccc2)CC1 1874287324 YVOVGCUMSMFOMR-KOEQRZSOSA-N 442.629 5.670 30 10 IKEE COc1cccc(CCc2nnc(SCc3ccccc3)n2/N=C/c2ccc(F)cc2)c1 1874310071 CTTDBCACEHKFBU-WPWMEQJKSA-N 446.551 5.386 30 10 IKEE CCCOC(=O)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccccc1Cl 1874369687 MKBIOGVPSLSMIK-FSJBWODESA-N 449.363 5.179 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(C)c3)n2/N=C/c2cc(C)ccc2O)cc1 1874388682 YUEQGOUHLDIDFI-JVWAILMASA-N 442.588 5.674 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccccc3C)nnc2-c2ccccc2)cc1OC 1874426105 RLQRXCMEMSFLKK-WGOQTCKBSA-N 444.560 5.445 30 10 IKEE O=C(CSc1nnc(-c2ccccc2)n1/N=C/c1cccc(Cl)c1)Nc1ccccc1 1874426138 SVEYQFOPPLNNFP-MFKUBSTISA-N 447.951 5.212 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1cccc2ccccc12 1874440080 IBUSTTYMYKCDSO-JVWAILMASA-N 449.023 6.848 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1cccc2ccccc12 1874440605 KTHUJQKETIHOAU-JVWAILMASA-N 449.023 6.848 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(Cl)cc1 1874440658 NDCADVRWZIBXEA-ZMOGYAJESA-N 433.408 6.348 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C2CCC2)cc1 1874498555 OKOUTFLXTCIKGV-LGJNPRDNSA-N 442.991 6.636 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(COC)nnc2SCc2cccc(F)c2)cc1 1874498647 BEGUAWGBRJGSCM-MFKUBSTISA-N 442.560 5.307 30 10 IKEE COCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1ccc(Cl)cc1Cl 1874501648 RZTDXJWBJFLDLD-AUEPDCJTSA-N 435.380 5.523 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(Cl)cc1Cl 1874528958 KFKLUBPTXGKZTC-NUGSKGIGSA-N 443.762 6.114 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(C)n2/N=C/c2ccc(Cl)c(Cl)c2)c1 1874529313 CDISSYBFRWWZKJ-AUEPDCJTSA-N 448.379 5.123 30 10 IKEE C=C(C)COc1ccc(Br)cc1/C=C/C(=O)c1ccc(OCC)cc1OCC 1874589246 BEVCRFAZTOEDIK-YRNVUSSQSA-N 445.353 6.098 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OCc1ccc(Cl)c(Cl)c1 1874596339 MBMFUJNYKDYHMC-IZZDOVSWSA-N 427.327 6.786 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OCC(=O)Nc1cccc(C)c1 1874611098 BCFIVNDFUZLIDF-WYMLVPIESA-N 445.515 5.316 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc(Cl)c2)c([N+](=O)[O-])c1)c1cccc(Cl)c1 1874612505 YEHQNLDEDUERSY-VQHVLOKHSA-N 428.271 6.377 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OCc1c(F)cccc1Cl 1874616323 TXRNFGMWLTZCKY-DHZHZOJOSA-N 445.317 6.925 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(C)cc3)cc2)cc1 1874625565 LAMPIUBCGJJHAA-KGENOOAVSA-N 442.599 7.819 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OCc1ccc(C)cc1 1874626156 OYZZKCXWIJKTDT-SDNWHVSQSA-N 444.571 6.785 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccc(F)cc3)c2)cc1 1874695717 PGOSVPONHHSMGO-MHWRWJLKSA-N 446.518 6.221 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1OC(=O)CCCSC 1874696951 JVGHPFIXEMHMNH-VZUCSPMQSA-N 449.366 5.402 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OC(=O)COCc1ccccc1 1874697023 KOVLVLNLIDASJC-ACCUITESSA-N 436.891 5.367 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)c1)c1ccc(Cl)cc1 1874700884 QXAXFCNPSLAFLQ-KCCWEBPOSA-N 437.322 6.599 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccc(OCC(C)C)cc2)c1 1874704503 SGHMCHULQFZRKP-NTEUORMPSA-N 444.527 6.154 30 10 IKEE CCc1ccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)c2)cc1 1874710596 FTGIIOUNISNCFM-JQIJEIRASA-N 440.583 6.917 30 10 IKEE Cc1cnc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4ccccc4c3)cc2Cl)cn1 1875096429 NVBGKNCDWDXOLT-UXBLZVDNSA-N 428.875 5.707 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cnc(C)cn3)c([N+](=O)[O-])c2)cc1 1875106201 HJYRRMUHKONFAN-XYOKQWHBSA-N 445.475 5.151 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1 1875127686 SJQOYRBCGQTDSI-NTEUORMPSA-N 427.283 6.117 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)Cc1ccccc1OC 1875134284 VTLPBDRAGMDIHX-SDNWHVSQSA-N 444.527 5.755 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(F)c(F)c1F 1875136483 BABTUSGXZXBBMF-WUXMJOGZSA-N 440.417 5.926 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2OC)CC1 1875140100 PNJWGGHQYRFBFP-FOWTUZBSSA-N 448.603 7.110 30 10 IKEE COc1cccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2OC)c1 1875141335 ZEFKMOMXQUGKRQ-ZRDIBKRKSA-N 446.499 5.201 30 10 IKEE C[C@H](C(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1Cl)c1ccccc1 1875146428 UMZVWYWENVZYSX-JEJOPICUSA-N 448.902 5.716 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3cccc4ccccc34)cc2)cc1 1875154200 TVHBEEXJCOPXNE-CAPFRKAQSA-N 434.535 6.837 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2OC)c1 1875157392 WDQDOPVQVPFEGF-OQLLNIDSSA-N 444.527 6.333 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)c1ccccc1 1875181833 ZJIWOXYODDODKN-ZHACJKMWSA-N 434.919 6.389 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)ccc1OC(=O)c1ccncc1 1875186221 KBLCXROXFBLSCG-QPJJXVBHSA-N 437.879 5.258 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C)c(OC)cc3C)cc2)CC1 1875186671 HNNNNBSTONXNLC-SFQUDFHCSA-N 448.603 7.110 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)C1(C#N)CC2(CCN(C(=O)OC(C)(C)C)C2)C1 1917716337 RBHJBLVZTGPGIZ-UHFFFAOYSA-N 441.572 5.420 30 10 IKEE C=CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1scc(Br)c1Br 1930758504 HFGGCGKULOAGRX-JTQLQIEISA-N 436.169 5.261 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@]2(C#N)N(CC2CC2)C(=O)OC(C)(C)C)C1 1950309127 SQRCLLQUYKASCW-BJKOFHAPSA-N 433.593 5.097 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C1(C)C 2014800765 MAWKNTNPEZASJL-XMMPIXPASA-N 435.609 5.628 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 2016224487 KAKVYDKYFWEQJK-HXOBKFHXSA-N 449.617 5.415 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2016232140 ZIWIOZZFGARWOE-UUOWRZLLSA-N 435.609 5.486 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@](C#N)(N(C(=O)OC(C)(C)C)C3CCCCC3)[C@H]2C1 2032060379 NWVBMABXNWCIIY-JVFUWBCBSA-N 447.620 5.486 30 10 IKEE C#CCN(C[C@H](NCCC)c1ccc(Cl)cc1Br)C(=O)OC(C)(C)C 2077805058 HDQUBNROMAAJMP-KRWDZBQOSA-N 429.786 5.014 30 10 IKEE Cc1cc(C)c([C@H](C2CC2)n2nc(C3CC3)c(C#N)c2I)c(C)c1 2080004445 ALGLZDMYATYKMW-IBGZPJMESA-N 431.321 5.161 30 10 IKEE Oc1c2c(nc3c(-c4ccc(F)c(C(F)(F)F)c4)c(C(F)(F)F)nn13)CCCCC2 2081275175 ARACUAKKYIKIIA-UHFFFAOYSA-N 433.327 5.548 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)C[C@H]2C[C@H]1CC2(F)F 2101410715 INPNRIQRCAYSLS-JCGVRSQUSA-N 427.289 5.518 30 10 IKEE CCSc1cccc(NCc2scc(Br)c2Br)c1C#N 2150561321 GVUMBNWKMYRFAC-UHFFFAOYSA-N 432.206 5.869 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)cc(C)cc1Br 2173464669 XBUJXLVYTZVAMM-MJGOQNOKSA-N 441.385 5.244 30 10 IKEE CC(C)N(CC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Br)cc1C#N 2174808748 RKKDJBBXNOEKIM-UHFFFAOYSA-N 436.394 5.183 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](CNc2ccc(C#N)c(Br)c2)CC12CCC2 2176862975 MYUQMIXVORQTDO-OAHLLOKOSA-N 434.378 5.302 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(C(F)(F)F)ccc1Br 2228089824 VTKSCQUQLICLGY-HNNXBMFYSA-N 435.284 5.926 30 10 IKEE C=CCCC1([C@@H](O)c2c(Cl)cccc2Br)CN(C(=O)OC(C)(C)C)C1 2254931296 GFOYBGASQUIGKH-INIZCTEOSA-N 430.770 5.339 30 10 IKEE CCCN[C@H](C#CC1CCCC1)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2260992310 XZAZYIPCZMJRIU-XMMPIXPASA-N 440.628 5.002 30 10 IKEE C[C@@H](N(Cc1ccccc1)C(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2267451659 UPOWPIZDGBVFOC-GOSISDBHSA-N 439.380 5.202 30 10 IKEE C=CCCC1([C@H](NCCC)c2cccc(Br)c2)CN(C(=O)OC(C)(C)C)C1 2281038798 WIYVRLYMYFYTTO-LJQANCHMSA-N 437.422 5.693 30 10 IKEE C=C(COCc1ccccc1)[C@](CC)(OCCC(=O)O)c1cccc(Br)c1 2291126820 IOPJLYAPALXOQD-QFIPXVFZSA-N 433.342 5.319 30 10 IKEE CCN=C1SC(=Cc2c(OCc3ccccc3C#N)ccc3ccccc23)C(=O)N1CC 2293990307 OUIYCYOKXUBCCD-UHFFFAOYSA-N 441.556 5.603 30 10 IKEE CN1C(=C2SC(=Nc3ccccc3)N(c3ccc(F)cc3)C2=O)Sc2ccccc21 2295196122 WBJIULCREAZTCY-UHFFFAOYSA-N 433.533 6.004 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)CC[C@@H](CC)NC(=O)OC(C)(C)C 2296311020 QVCFFQLWRFSSSD-UXHICEINSA-N 437.422 5.252 30 10 IKEE Cc1cc2nc(-c3ccc(N=CC=Cc4cccc(Br)c4)cc3)oc2cc1C 2297235542 QIDWNTMDEVZCRT-UHFFFAOYSA-N 431.333 7.290 30 10 IKEE Cc1ccc(NC=C2C(=O)c3ccccc3N(Cc3ccccc3)S2(=O)=O)cc1Cl 2297375453 KRSDRIUFJHUQCL-UHFFFAOYSA-N 438.936 5.135 30 10 IKEE C=CCN1C(=O)C(=C2Sc3ccccc3N2CC)SC1=Nc1ccccc1Cl 2297707822 OICOOBMBFZRVRV-UHFFFAOYSA-N 427.982 5.890 30 10 IKEE CCCN[C@H](C#CC1(OC)CCCC1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2316439472 CFIZETUXWDKCGT-DEOSSOPVSA-N 442.644 5.535 30 10 IKEE COc1ccccc1C=Nn1c(SCc2ccc(Cl)c(Cl)c2)nnc1C1CC1 2320892158 XSFHWMPWVQFYSV-UHFFFAOYSA-N 433.364 5.645 30 10 IKEE Cc1cc(OCc2ccc(F)cc2Cl)cc2c1C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)O2 2321862869 WLLGVIFYOZSIPA-UHFFFAOYSA-N 439.826 5.891 30 10 IKEE COc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2cccs2)C4)cc1OC 2321967231 ZPBYTPXVVPRIMD-UHFFFAOYSA-N 449.528 5.042 30 10 IKEE COc1cccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN([C@H]2CCCC[C@@H]2C)C4)c1OC 2322146239 WXRZMQRLZNJCRH-JXFKEZNVSA-N 449.547 5.359 30 10 IKEE O=C(COc1ccccc1C=CC(=O)c1ccc2c(c1)CCCC2)NCc1ccccc1 2322328513 HCGBXHIETBIYNC-UHFFFAOYSA-N 425.528 5.157 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc3c(c2)CCCC3)c1OCc1ccccc1C 2322335648 GNPXGXOPBPSFFT-UHFFFAOYSA-N 446.974 7.011 30 10 IKEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1ccc2c(c1)CCCC2)Nc1ccccc1 2322339318 KGHZSYZNKSAKBF-UHFFFAOYSA-N 445.946 6.132 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2ccc(F)cc2)c1 2322373937 JSSMLNKAXXIDPD-UHFFFAOYSA-N 439.870 5.401 30 10 IKEE CCCCOCCCN1COc2c(cc3c(c2C)OC(=Cc2ccccc2Cl)C3=O)C1 2322391363 CKIFWOUNXUTCGS-UHFFFAOYSA-N 441.955 5.623 30 10 IKEE O=C(C=Cc1cc(Br)ccc1OCc1ccccc1)c1cccc(Cl)c1 2322521773 RNLVIAQVNIKYSK-UHFFFAOYSA-N 427.725 6.578 30 10 IKEE O=C(C=Cc1c(OCc2ccccc2Cl)ccc2ccccc12)c1ccc(F)c(F)c1 2322781663 REFGFGNBVVIVQI-UHFFFAOYSA-N 434.869 7.247 30 10 IKEE O=C(C=Cc1cccc(OCc2ccc(Cl)cc2)c1)c1ccc(Oc2ccccc2)cc1 2323240332 PLZBASHURRCFRL-UHFFFAOYSA-N 440.926 7.607 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)c4ccc(Cl)c(Cl)c4)ccc3C2=O)cc1 2323259230 YPQZOCRBVUNQEP-UHFFFAOYSA-N 439.294 6.391 30 10 IKEE Cc1cc(OC(=O)c2cccc3ccccc23)cc2c1C(=O)C(=CC=Cc1ccccc1)O2 2323481712 CGRZMGMPXWQOBP-UHFFFAOYSA-N 432.475 6.540 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2OC)C3=O)CC1 2323651114 XQMZPKAIOIJNBS-UHFFFAOYSA-N 434.532 6.213 30 10 IKEE CCCOC(=O)COc1c(Cl)cc(C=CC(=O)c2ccc(C)cc2C)cc1OCC 2323858128 IJPALOGDHRRUDY-UHFFFAOYSA-N 430.928 5.584 30 10 IKEE COc1c(Cl)cc(C=NNc2nc(-c3ccc(C)cc3C)cs2)c(OC)c1Cl 2323858349 LEFVXEVLMSWRNP-UHFFFAOYSA-N 436.364 6.197 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OCC(=O)Nc1ccc(C)cc1 2323896667 HIAKZEWDKOMYIV-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE Cc1ccccc1C=C1Oc2cc(O[C@@H](C)C(=O)Nc3ccc(C#N)cc3)cc(C)c2C1=O 2325307056 MGNMVQQSRGWZNI-SFHVURJKSA-N 438.483 5.197 30 10 IKEE CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2C)C3=O)cc1 2325424763 ZZUAGASUHDAGTN-GOSISDBHSA-N 441.483 5.220 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1OC(=O)Cc1ccccc1F 2325700839 RBEUWXPFOQCHKB-UHFFFAOYSA-N 444.502 5.757 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2cccc(F)c2)c1)c1ccc(Br)cc1 2325716477 FVRISUPOUCPYNL-UHFFFAOYSA-N 425.253 5.704 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2)cc1OC(=O)c1[nH]c2ccc(C)cc2c1C 2325731558 DBBKSBADDLGIPJ-UHFFFAOYSA-N 425.484 5.909 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccc(Cl)c(Cl)c1 2325737093 GSNBIVUKOLWREQ-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1OC(=O)Cc1ccc(Cl)cc1 2325752930 YFLQPLXYPRQKEB-UHFFFAOYSA-N 442.845 5.671 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)ccc2OC)cc1OC(=O)Cc1ccccc1 2325779366 HCNVNVVLJJUGCQ-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1ccccc1F 2325951609 PUWKNFISZONQNB-UHFFFAOYSA-N 445.361 5.321 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(O)c(OCC)c1 2326358266 FDIOZYIQQDSOCI-UHFFFAOYSA-N 430.961 5.163 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1N=Cc1c(O)ccc2ccccc12 2326637560 FRIVPHLRNQYWPZ-UHFFFAOYSA-N 438.556 6.027 30 10 IKEE C=C(C)CSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccc(CC)cc1 2327272309 PTIOULGNPBLCQE-UHFFFAOYSA-N 434.609 5.895 30 10 IKEE Cc1ccccc1CSc1nnc(CCCOc2ccccc2)n1N=Cc1cccnc1 2328718164 RRMLIVWYHHMZNZ-UHFFFAOYSA-N 443.576 5.168 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2N=Cc2ccncc2)cc1C 2329453481 USPSNGXHQAYJNY-UHFFFAOYSA-N 447.995 5.709 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccccc1 2329515373 FJOHCTICGDYDHC-UHFFFAOYSA-N 447.007 6.200 30 10 IKEE Oc1ccccc1C=Nn1c(SCCc2ccccc2)nnc1-c1ccccc1Cl 2329587097 CJVDJCKGDDOVBJ-UHFFFAOYSA-N 434.952 5.521 30 10 IKEE CCc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCC(=O)OCC(C)C)cc1 2330284472 BHJZYWNXLYAICB-UHFFFAOYSA-N 442.629 5.137 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1OC 2330592151 CPIQPWYZLHMXPB-UHFFFAOYSA-N 434.919 6.617 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1 2330940766 UQAOZEGZSKPDFP-UHFFFAOYSA-N 441.310 6.507 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3Cl)c(OC)c2)cc1 2330990091 HJSNXLCEUMHHRS-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)CCc1ccccc1 2331077917 PIERZJAOKJITFL-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)c1ccccc1 2331104190 IUNUHXLQBFOJJB-UHFFFAOYSA-N 434.438 5.817 30 10 IKEE FC(F)(F)c1nnc(SCc2ccccc2Cl)n1N=Cc1c[nH]c2ccccc12 2331138416 IOASIPZGIGIFLQ-UHFFFAOYSA-N 435.862 5.606 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC(=O)Cc1ccc(F)c(C)c1 2331156596 HHRVEZNMQPOFDJ-UHFFFAOYSA-N 438.882 5.840 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1cccc(Cl)c1 2331158149 YUIHKGNCRFEJAA-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)COc1ccc(Cl)c(C)c1 2331183677 XJOZTVWCGGWNME-UHFFFAOYSA-N 436.891 5.538 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)C3CCC3)c(Br)c2)cc1 2331304983 AUXITBOVVJJOJD-UHFFFAOYSA-N 443.337 5.840 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1ccc(C)c(C)c1 2331504187 VLOZKGXMNNLANR-UHFFFAOYSA-N 442.555 6.941 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)C(F)(F)F)cc2)cc1 2331541587 IBMCLXPEULALLD-UHFFFAOYSA-N 434.454 6.400 30 10 IKEE Cc1ccc(CSc2nnc(C(C)C)n2N=Cc2cc(Br)ccc2O)cc1 2331669940 SNIPZDAFZZRGHK-UHFFFAOYSA-N 445.386 5.353 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C(C)C)cc1 2331705127 GGHAXMCWQFOKRT-UHFFFAOYSA-N 449.407 6.282 30 10 IKEE CSc1cc(Nc2ccc(Br)c(I)c2)ccc1C#N 2353841957 VWRBPXAPOIWOBV-UHFFFAOYSA-N 445.123 5.391 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1cc(Br)cc(OC2CC2)c1 2362708159 KKGNLVUCRPYHHX-MOPGFXCFSA-N 439.394 5.110 30 10 IKEE CCCCCCCCC[C@H](N)[C@@H](O)c1sc(Cl)cc1I 2366647366 GDTWXVMKMPFECU-GXTWGEPZSA-N 429.795 5.508 30 10 IKEE Cc1cc(C(=O)C[C@H]2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)ccc1Cl 15055071 JBXDRPNKAFWALY-AHSYQONNSA-N 434.948 6.058 30 10 IKEE COc1ccc(/N=C2\S/C(=C/c3cccc([N+](=O)[O-])c3)C(=O)N2c2ccccc2)cc1 16216019 WZZSPOUHQOABOC-NVZLDUMVSA-N 431.473 5.412 30 10 IKEE Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC(C)C)cc2)C3)cc1 21224582 OGVBNLVPHJLMPJ-ZTOMLWHTSA-N 438.571 6.762 30 10 IKEE CCCC/N=C1\Sc2nc3cc(C)c(C)cc3cc2CN1Cc1ccc2c(c1)OCO2 33360752 OCZBOARDNALPQX-QPLCGJKRSA-N 433.577 5.844 30 10 IKEE O=C1/C(=C/c2cccc(Cl)c2Cl)Oc2cc(OCc3ccc(F)cc3Cl)ccc21 33514070 BTSNMSSDGFTMLJ-ZBKNUEDVSA-N 449.692 6.981 30 10 IKEE OC1=NC(=N/c2cccc(O)c2)/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)S1 35484883 DNWRWNSVVKSAKL-HMAPJEAMSA-N 438.512 5.977 30 10 IKEE C=C(C)COc1ccc(-c2nc3ccc(N)cn3c2CN(CC)Cc2ccccc2)cc1 36272404 OVNPUSYUSXFVEC-UHFFFAOYSA-N 426.564 5.561 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)ccc21 38707308 GREJAPOIOZNRLV-UHFFFAOYSA-N 442.943 5.074 30 10 IKEE COc1cccc(/C=C\C(=O)c2c(-c3ccccc3)nc3n(C)c4ccccc4n23)c1OC 39151948 BXESZVNFNSBGGR-MSUUIHNZSA-N 437.499 5.406 30 10 IKEE CC(=O)C1=C(C)Nc2nc(SCc3ccccc3F)nn2[C@H]1c1ccc(Cl)cc1 54641585 VRXTYFLHLNGPKR-IBGZPJMESA-N 428.920 5.241 30 10 IKEE CCCSc1nnc(N/N=C/c2ccccc2OCc2cccc(Br)c2)[nH]1 59019344 RCQNSIOGTQFGSJ-CIAFOILYSA-N 446.374 5.094 30 10 IKEE C=C(C)COc1ccccc1NC(=O)CNc1ccc(C(=O)N(CC)c2ccccc2)cc1 66092098 ZTULINZITXATHP-UHFFFAOYSA-N 443.547 5.359 30 10 IKEE CCCCCCCOc1ccc(NC(=O)CNc2ccc(C(=O)NC(C)C)cc2)cc1 100108837 IVXCLZLLNYJXTB-UHFFFAOYSA-N 425.573 5.225 30 10 IKEE Cc1ccc(S(=O)(=O)Nc2ccccc2N/C=C\C(=O)c2cccc3ccccc23)cc1 100139983 RYGWNMFTJPXJLI-ZCXUNETKSA-N 442.540 5.758 30 10 IKEE CCN1C(=O)/C(=C/c2cccc3ccccc23)S/C1=N/c1nc(-c2ccccc2)cs1 101130386 JDXAFCLLBBHESA-YEVPVSBLSA-N 441.581 6.587 30 10 IKEE CCCCCCCCCCCCCCCCn1c([C@H](C)NC(=O)CC)nc2ccccc21 102118317 SBZSLRNLWOIZNJ-DEOSSOPVSA-N 441.704 8.105 30 10 IKEE O=C1C(=O)N(c2ccc(F)cc2)[C@H](c2ccc(Cl)cc2)/C1=C(/O)c1ccc(Cl)cc1 102625852 CDPGZSMPWXGRIE-GOBJLOIFSA-N 442.273 5.759 30 10 IKEE COc1ccc2ccccc2c1[C@H](C1=C(O)CC(C)(C)CC1=O)C1C(=O)CC(C)(C)CC1=O 105664131 JGLJIWGBLAWCLJ-SANMLTNESA-N 448.559 5.708 30 10 IKEE C=CCN(C(=O)CNc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F)c1ccccc1 109096729 VCMUTZZFDWCDDX-UHFFFAOYSA-N 443.425 5.182 30 10 IKEE N#C[C@@H](NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc(F)cc1F 111218941 WFCYTUKXHUPJNW-QGZVFWFLSA-N 437.393 5.031 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc(C)c1 169967254 MCBYQSFTMBGLCZ-XMMPIXPASA-N 427.500 5.091 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(C(C)(C)C)cc2)c1 169974799 HZXZQSKWNYUWRK-VWLOTQADSA-N 439.555 6.384 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2cccs2)cc1 169983933 DVCXGWDWAFUSLL-FQEVSTJZSA-N 441.455 5.208 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccn1 169994535 RMZSXVNKNZEXPB-FQEVSTJZSA-N 439.298 5.480 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)[C@@H]2c2ccccc2)cc1 170053739 NOBHLOGOCNQDMD-XMMPIXPASA-N 427.500 5.565 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(OC)c3)=C(O)C(=O)N2c2ccccc2)cc1 170113385 OKRHNHPAQAXSFJ-QFIPXVFZSA-N 449.890 5.140 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@H]1c1ccccc1OC 170125842 SYHZCNZKGQFRFN-HSZRJFAPSA-N 437.536 5.089 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccc(C)c2)c1 170138992 BZKRCTOKCZPCGZ-HSZRJFAPSA-N 447.556 5.624 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2cccs2)cc1 170156220 SSARXPALHKEOFT-JOCHJYFZSA-N 433.529 5.547 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)ccc1Cl 170159446 IBRAWDKINRNDIZ-FQEVSTJZSA-N 439.920 5.501 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CCC)cc1 170215839 WYBXMOKNSNAPIP-QFIPXVFZSA-N 449.503 5.219 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccccc2)cc1 170224289 IKMRHZJYLICSDS-AREMUKBSSA-N 437.539 5.911 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@@H]1c1ccc(C(C)C)cc1 170245371 ARPZKVHMEGXUIT-QFIPXVFZSA-N 425.500 5.336 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccc2F)c1 170249598 FAHLVRODZHAXRT-HSZRJFAPSA-N 431.463 5.316 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2CCOC)cc1 170264935 OHHOSETVWRFAKP-QHCPKHFHSA-N 435.564 5.080 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@H]1c1ccc(CC)cc1 170268430 QJESZKWJHWGCIW-XMMPIXPASA-N 435.564 5.643 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccco1 170283834 LQHFFQLNDVUAFW-NRFANRHFSA-N 432.863 5.506 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccco2)cc1C(C)C 170291992 PTRZHEBETIDGRV-JOCHJYFZSA-N 435.476 5.092 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1c(C)[nH]c2ccccc12 170312389 NFWGSANLSQLHLK-QFIPXVFZSA-N 444.487 5.219 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1sccc1C 170315461 OFIONTHDSYXPQJ-QHCPKHFHSA-N 443.568 6.027 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2cccc(OCCC)c2)cc1 170323628 LSWVRTKCPOWWIM-HSZRJFAPSA-N 437.536 5.253 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Br)c2)[C@H]1c1ccccc1)c1cccs1 170373261 UYERQOUOFZVGQY-SFHVURJKSA-N 440.318 5.294 30 10 IKEE Cc1ccc2c(c1)C(=O)/C(=C\c1cn(-c3ccccc3)nc1-c1ccc3c(c1)C[C@H](C)O3)O2 213993714 GWFZLJVDHZOYSN-CMPFEXHJSA-N 434.495 5.787 30 10 IKEE CCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)SC1=Nc1ccccc1 252636879 XMTUERJUKQHQAP-SIFMURAYSA-N 445.588 6.117 30 10 IKEE CSc1nnc(C(F)F)n1N=Cc1ccc(COc2cccc(Cl)c2Cl)o1 254404676 BYQRYXRKCRPQFJ-UHFFFAOYSA-N 433.267 5.299 30 10 IKEE CC(C)(C)c1ccc(-c2nc3cc(N=Cc4cc(Cl)cc(Cl)c4O)ccc3o2)cc1 254521538 YVUVHFZCUJCMQP-UHFFFAOYSA-N 439.342 7.555 30 10 IKEE COCCN=c1scc(-c2cc3ccccc3o2)n1N=Cc1ccc(Cl)cc1Cl 254630355 FZJNNONSGZSAFY-UHFFFAOYSA-N 446.359 5.699 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NC)c1ccc(Br)c(Cl)c1F 407173659 ACUOONYISSLDKB-XJKSGUPXSA-N 435.765 5.362 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(OC)c(Cl)c2)cc1 526516092 NFBQDJFRGCVQRT-QHCPKHFHSA-N 446.890 5.286 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cn(C)c3ccccc23)cc1 526516493 PDWXSADAUPUGMG-SANMLTNESA-N 449.510 5.506 30 10 IKEE CCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1c[nH]c2ccccc12 526805483 HEHIERGFNOFORX-YUMHPJSZSA-N 431.609 6.184 30 10 IKEE CCCOc1ccccc1/C=N\n1c(C)nnc1SCc1c(Cl)cccc1Cl 526813822 GENDJYHVLXEGRK-FMCGGJTJSA-N 435.380 5.857 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccc(O)cc2)c1 526819307 RNRUOHQTVCSIQF-PKAZHMFMSA-N 442.588 5.560 30 10 IKEE O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCC[C@H](c2ccc(F)cc2)C1 585253663 VODWYGAIXFCAPU-AWEZNQCLSA-N 433.367 6.273 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@H](C#N)c1ccc(Cl)c(Br)c1 698453775 GJGGLHWCAOMAJU-KRWDZBQOSA-N 427.770 6.237 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2cc(F)cc(Br)c2)c1 698484681 JAELQSSCRMZVTP-GOSISDBHSA-N 435.293 5.603 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1cc(F)c(F)cc1F 710831869 OLBIPVKMMYYPSY-QGZVFWFLSA-N 441.247 5.873 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)CCSc2n[nH]c(NN=Cc3ccc(C)cc3)n2)cc1 1084393569 XKVHKRPMFWYVHV-KRWDZBQOSA-N 436.585 5.194 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(C(=O)O)cc2)SC1=Nc1nc(-c2ccccc2)cs1 1772738740 RFPHJYWHNFLZLA-IWNQXXOGSA-N 435.530 5.132 30 10 IKEE Cc1c(N=Nc2ccccc2C(F)(F)F)c(O)n([C@@H](C)c2ccccc2)c(=O)c1C#N 1772740969 ORYXNBPHQJPXCC-AWEZNQCLSA-N 426.398 5.778 30 10 IKEE Cc1c(-c2c(F)c(F)c(F)c(F)c2F)cnc(N)c1-c1c(F)c(F)c(F)c(F)c1F 1848358307 GGAUNYJNNFSVOE-UHFFFAOYSA-N 440.240 5.697 30 10 IKEE Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N\NC(=S)Nc2cccc(F)c2)cc1C 1857811250 LIVUAUVXLQLTDQ-DICXZTSXSA-N 443.551 5.616 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(F)cc1F 1862381019 PRXJLABCDKEGFO-YPMLDQLKSA-N 440.273 5.648 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccccc2)cc1 1862387121 DLGNAQWMTJIZMK-RXFWQSSRSA-N 439.555 6.369 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1cc(Cl)cc(Cl)c1 1862407969 AAUIQKDJCHSQCJ-HXUWFJFHSA-N 448.346 5.689 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(C(C)C)cc1 1862415080 OQPGXWJCJIHGGX-JOCHJYFZSA-N 427.491 5.713 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@H]1c1ccc(O)cc1)c1ccccc1Cl 1862431069 YYTKZPVCQKFEFY-QFIPXVFZSA-N 439.939 5.737 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccccc1Cl)c1ccccc1Cl 1862432917 PXDQIWWGFGUQCP-HXUWFJFHSA-N 439.298 5.167 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCc2cccs2)c1 1862441690 BVVNZNYDMJELKT-OAQYLSRUSA-N 437.948 5.531 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)c1 1862478631 MHPDTOADTSYMED-RVSNTGDXSA-N 433.548 5.551 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862505782 GICIXPMVKVTDOQ-NRFANRHFSA-N 440.471 5.201 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(OCC)cc1 1862506051 ILSVAFNMXZQRQD-HSZRJFAPSA-N 439.527 5.691 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccc(O)cc2)ccc1F 1862508135 XNBZIXWDMOUAKF-WAIKUNEKSA-N 431.463 5.179 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@@H]2c2cccc(C)c2)cc1 1862533654 NLKINSIVBTWDJV-XMMPIXPASA-N 445.946 5.989 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2cc(Cl)cc(Cl)c2)cc1 1862539017 TWDDJBBABGHEGR-RNODOKPDSA-N 432.347 5.933 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2cccc(Cl)c2)c1 1862554646 HSXGHDMRGKPYBJ-JOCHJYFZSA-N 432.907 5.009 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(N(C)C)cc1 1862558979 DYCFGNNFVVAVEN-ZJSXRUAMSA-N 449.595 5.272 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1cccc(Cl)c1 1862640780 MBYPJZVLZKTBFI-NRFANRHFSA-N 445.918 5.646 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(Cl)cc1 1862660810 MUCLQKAUEULUAB-JOCHJYFZSA-N 441.955 5.467 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(N(C)C)cc1 1862726890 QZPPYMJAPHMDBX-RUZDIDTESA-N 440.543 5.408 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccc(F)c1 1862748870 LGIQKRBYNGCITP-IVZQSRNASA-N 446.434 5.073 30 10 IKEE Cc1ccc(C)c(NC2=C(c3ccc(F)c(C)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1863092717 CKDNDEYGCHLTDN-UHFFFAOYSA-N 425.463 5.019 30 10 IKEE N#Cc1ccccc1N1C(=O)C(Nc2ccccc2Cl)=C(c2c[nH]c3ccccc23)C1=O 1863136610 XIXKVVGLWMWLGP-UHFFFAOYSA-N 438.874 5.090 30 10 IKEE Cc1cccc(CN2C(=O)C(Nc3cccc(C#N)c3)=C(c3cccc4ccccc34)C2=O)c1 1863225280 ALNLOVZWYHCNLO-UHFFFAOYSA-N 443.506 5.412 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc3nc[nH]c3c2)=C(c2ccccc2F)C1=O 1863298625 NKLUIEMUBSHXFM-UHFFFAOYSA-N 434.515 5.255 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(F)c(Cl)c2)=C(c2cc(Cl)ccc2Cl)C1=O 1863383057 GXONVTINBVKTIY-UHFFFAOYSA-N 425.674 5.164 30 10 IKEE CCCCCCCCN1C(=O)C(NCCOc2ccccc2)=C(c2ccc(C)c(C)c2)C1=O 1863607522 GVKIBRMUXIFESQ-UHFFFAOYSA-N 448.607 5.412 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@@H](C)c2ccccc2)=C(c2cccs2)C1=O 1863808238 JKLWEWZRBFQRPY-FQEVSTJZSA-N 438.637 6.320 30 10 IKEE C=CCN(CC=C)c1cc(N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)nc(-c2ccc(Cl)cc2)n1 1867982625 SIJUEIFBLUMZRT-RLWLMLJZSA-N 437.031 6.380 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2F)c(=O)cc1CN(CC)CCCC 1870342535 YRQKZSINWSTZHY-UHFFFAOYSA-N 444.635 6.549 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(Cl)cc2)c(=O)cc1CN(CC)CC 1870438928 DWVOFFRQDSPCDC-UHFFFAOYSA-N 433.036 6.283 30 10 IKEE C=CCn1cc(OCc2ccccc2)c(=O)cc1CNc1ccc(Br)cc1C 1870895027 VAPUNBSUIBRYML-UHFFFAOYSA-N 439.353 5.296 30 10 IKEE C=CCn1cc(OCc2c(F)cccc2Cl)c(=O)cc1CNc1ccc(C(C)C)cc1 1871089505 OMBZJQYWDBSSCF-UHFFFAOYSA-N 440.946 6.141 30 10 IKEE CCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CNc1ccc(OC)cc1C 1871258082 NZYIDUPKRJWAJU-UHFFFAOYSA-N 442.644 6.563 30 10 IKEE CCN(CC)CCCCN1COc2ccc3c(c2C1)O/C(=C\c1cccc(Cl)c1)C3=O 1871349581 XSUREMGPWKGNCT-HAHDFKILSA-N 440.971 5.230 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2F)C3=O)cc1 1871366687 MLEFVEKRIJTNMZ-UCQKPKSFSA-N 448.446 5.133 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(Cl)cc4[N+](=O)[O-])cc(C)c3C2=O)cc1 1871373825 VPBFYLANFRHBSX-FBHDLOMBSA-N 449.846 5.700 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871382456 VYGDLZFGVWUZNZ-UUYOSTAYSA-N 448.858 5.409 30 10 IKEE CCCC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccs2)C3=O)c1 1871391289 RQLFUPFVSMBYGM-STZFKDTASA-N 448.496 5.597 30 10 IKEE Cc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccccc1F)C2=O 1871408253 CJWSRFWABFPDRE-NQRZERFFSA-N 431.463 5.465 30 10 IKEE CC(=O)c1cccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2sccc2C)C3=O)c1 1871438683 LWHIMPNQZNNFFB-MTJSOVHGSA-N 447.512 5.201 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCCC(=O)Nc4ccccc4)cc(C)c3C2=O)cc1 1871446650 HIOHNZYNMYBXCC-JLPGSUDCSA-N 427.500 5.581 30 10 IKEE Cc1cc(OCC(=O)Nc2ccccc2F)cc2c1C(=O)/C(=C/c1ccccc1Cl)O2 1871460049 SEVZODCCWJUCJL-NHDPSOOVSA-N 437.854 5.421 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(C)c(C)c2)[nH]c(N(CC)CCO)n1 1871528711 PYVSTKIOOFCRIZ-UHFFFAOYSA-N 442.652 5.025 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1cccs1 1872232303 CMXLGMXRKYUOGB-GOSISDBHSA-N 441.018 5.166 30 10 IKEE C=CCOc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2ccc(OCC)cc2)cs1 1872768402 RPGMGZKACGFXFC-IBGZPJMESA-N 434.517 5.029 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)Cc2ccc(Cl)cc2)n1 1872776961 CBFNQLFRYOJJBU-IBGZPJMESA-N 438.980 6.189 30 10 IKEE N#C[C@H](C(=O)Cc1c[nH]c2ccccc12)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872779865 SZMIEVAHOLEAIU-HSZRJFAPSA-N 449.535 6.503 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@H](C#N)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 1872781130 PGCQNDSZFZPSTG-OAHLLOKOSA-N 441.896 5.487 30 10 IKEE C=CCOc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2c(C)cc(C)cc2C)cs1 1872786393 IWSUHCHNHIYNBT-LJQANCHMSA-N 432.545 5.555 30 10 IKEE C=CCc1ccccc1OCc1ccc(C(=O)N2CCN(c3ccccc3Cl)CC2)cc1 1872870619 KMDYDIIUZRYBBX-UHFFFAOYSA-N 446.978 5.610 30 10 IKEE CCCCCCCCNC1=C(c2c(C)cc(C)cc2C)C(=O)N(Cc2cccs2)C1=O 1873120716 FWJBRNRHOICIIM-UHFFFAOYSA-N 438.637 5.904 30 10 IKEE CCSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874252239 HQRPKWYHULWUOM-NLRVBDNBSA-N 436.625 5.890 30 10 IKEE CCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc(Br)cc1 1874282888 FCVBDRVDOFVMKI-LPYMAVHISA-N 449.805 5.473 30 10 IKEE Cc1ccc(CSc2nnc(CCc3cccs3)n2/N=C/c2ccccc2C)cc1 1874369083 JMOAYUIXQSEFLJ-PCLIKHOPSA-N 432.618 5.916 30 10 IKEE Fc1cccc(CSc2nnc(CCc3cccs3)n2/N=C/c2ccccc2F)c1 1874370060 GDFKYBCVILOTRY-AFUMVMLFSA-N 440.544 5.578 30 10 IKEE COc1ccccc1/C=N/n1c(Cc2ccc(F)cc2)nnc1SCc1ccc(C)cc1 1874377152 IFUPAHGMSRJBHS-JVWAILMASA-N 446.551 5.500 30 10 IKEE Oc1ccccc1/C=N/n1c(CC2CCCCC2)nnc1SCc1ccc(Cl)cc1 1874408958 YBIVQPWIYVTYHH-MFKUBSTISA-N 441.000 5.934 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3ccccc3)nnc2-c2cccs2)c1 1874422226 AUXPPPXSWSOEQQ-LFVJCYFKSA-N 434.590 5.970 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3ccccc3C)nnc2-c2ccccc2)cc1 1874425794 ANSMWIKEELWYTI-OVVQPSECSA-N 442.588 6.217 30 10 IKEE Cc1ccc(CSc2nnc(CC(C)(C)C)n2/N=C/c2ccc(C(C)(C)C)cc2)cc1 1874436490 DFAIGPATJDQBND-WPWMEQJKSA-N 434.653 6.647 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2c(Cl)cccc2Cl)nnc1C(F)(F)F 1874462308 RGEUFNSNJHWAMI-PGGKNCGUSA-N 445.297 6.087 30 10 IKEE COCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc(C(C)(C)C)cc1 1874472666 QQUYIXNRSOGOPZ-MFKUBSTISA-N 443.016 5.592 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc(F)cc1 1874492401 LNZCYSUQBMVDHY-BHGWPJFGSA-N 437.371 6.097 30 10 IKEE Fc1ccc(CSc2nnc(C3CCC3)n2/N=C/c2ccc(Cl)cc2Cl)cc1 1874494660 CMZOKPMLFUTUGT-BHGWPJFGSA-N 435.355 6.166 30 10 IKEE CCCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1/N=C/c1ccccc1Cl 1874503516 LUZKVOJFIALJPD-ZMOGYAJESA-N 441.988 5.114 30 10 IKEE COc1cc(/C=N/n2c(SCc3ccccc3C)nnc2C(C)C)ccc1OC(C)C 1874510132 IDNLOSJLDXLCKL-AFUMVMLFSA-N 438.597 5.680 30 10 IKEE CCCSc1nnc(C(C)C)n1/N=C/c1ccc(OC(=O)c2ccccc2)c(OC)c1 1874515050 OSWBAIUDQAEEAO-BUVRLJJBSA-N 438.553 5.014 30 10 IKEE COc1ccc(OC)c(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CC2)c1 1874520186 FXTYFMOYYLJAQW-FSJBWODESA-N 428.945 5.001 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Cl)ccc1OCC(=O)Nc1ccc(C)cc1C 1874576971 PGCUJSWNKPVZFZ-FMIVXFBMSA-N 449.934 5.879 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccccc1OCC(=O)Nc1ccc(F)cc1 1874589923 JSQKPOZSNPXSLK-MHWRWJLKSA-N 445.534 6.345 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3ccccc3F)c2)cc1 1874593776 BJPPLUZWKRFIIR-GXDHUFHOSA-N 433.479 5.310 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OCC(=O)Nc1cc(C)ccc1C 1874595253 BOKWKLCANRXHCQ-WUXMJOGZSA-N 449.934 5.879 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OCC(=O)Nc1ccccc1F 1874595370 HXTUWGHVRDWWJF-WUXMJOGZSA-N 439.870 5.401 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2cccc(OCC(=O)Nc3c(C)cccc3C)c2)c1C 1874599322 HJZVXVSYXWGXQB-BUHFOSPRSA-N 441.571 6.451 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)cc3C)c(Cl)c2)cc1 1874604605 WIDFBVIJQCMCSS-MDWZMJQESA-N 447.962 6.433 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Cl)c1OCCc1ccccc1 1874611603 MTZBXJUFEYNNEB-DHZHZOJOSA-N 442.889 6.535 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 1874614149 HNGAIJXOYPXYJN-QDEBKDIKSA-N 438.823 5.632 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc([N+](=O)[O-])c1OCCc1ccccc1 1874618309 UMRNDZVPVJWAPH-OUKQBFOZSA-N 445.515 6.128 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(OC)c1OCc1ccccc1C 1874627105 CEJABIJMSZKVMO-JLHYYAGUSA-N 434.482 6.485 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OCc1cccc(F)c1 1874630746 RRGGJFLPNNUIBQ-PKNBQFBNSA-N 434.507 6.325 30 10 IKEE CCc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(Cl)cc3Cl)c2)cc1 1874695921 ZBEUVCYVUJSCKY-MDWZMJQESA-N 425.311 6.671 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OC(=O)c1cccc(Cl)c1 1874697381 UWJQCMXBYDGRHL-PKNBQFBNSA-N 427.283 6.117 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OC(=O)COc1c(C)cccc1C 1874698567 COKIOCOCRJYXBS-WYMLVPIESA-N 446.499 5.201 30 10 IKEE CCOc1ccc(CC(=O)Oc2cc(/C=C/C(=O)c3ccc(C)cc3)ccc2OC)cc1 1874703018 VERJMCDNAYLEEE-OQLLNIDSSA-N 430.500 5.447 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OC(=O)Cc1ccc(F)c(C)c1 1874703847 KIPNWHQKCGXKNA-BJMVGYQFSA-N 436.454 5.634 30 10 IKEE Cc1cc(C(=O)/C=C/c2cccc(OC(=O)CCCOc3c(C)cccc3C)c2)ccc1F 1874703949 OZPUMIPKLMJTSZ-NTCAYCPXSA-N 446.518 6.412 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)C3CC3)c(Br)c2)cc1 1875107098 ZYOCFQSYDZPMMT-NTUHNPAUSA-N 427.338 6.003 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccn3)c(OCC)c2)cc1 1875107898 OMGUXOJLJDPPLQ-FOWTUZBSSA-N 429.516 5.938 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)CCc1ccccc1OC 1875128845 XLFVGWOFKASPPM-DTQAZKPQSA-N 430.500 5.528 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc(OC)cc(OC)c3)cc2)cc1 1875129892 YSLRENPLVURFOY-VGOFMYFVSA-N 432.472 5.218 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC(C)C)c(Br)c2)cc1 1875130194 MHOYKYUDYIGHFL-VZUCSPMQSA-N 431.326 5.695 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3cc(Cl)ccc3Cl)cc2)cc1 1875132131 HDSRRMQUNQIIAS-AWNIVKPZSA-N 441.310 6.182 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)Cc1cc(C)ccc1C 1875133430 URZAPEAFSAALID-JLHYYAGUSA-N 444.527 5.673 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)COc1ccc(Cl)cc1 1875136212 CYONGYOPYBKLLT-WLRTZDKTSA-N 436.891 5.538 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(-c2ccccc2)cc1 1875136405 NDUAPLHMNNKQJU-VCHYOVAHSA-N 448.518 6.786 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)cc(Cl)c1OC(=O)C(F)(F)F 1875145294 JWTRNBGWDRIOME-VOTSOKGWSA-N 442.817 5.420 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1 1875148951 QSLYBMVANGZPLL-WOJGMQOQSA-N 428.528 6.037 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C2CC2)c([N+](=O)[O-])c1)c1ccc(Oc2ccccc2)cc1 1875165678 STOLZRHTOIMKRB-MKMNVTDBSA-N 429.428 5.599 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)cc1Cl 1875168282 VHRJLLKSMPEHSG-SOFGYWHQSA-N 441.738 6.647 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1Cl 1875187150 MEFRMFNJEBOBSH-RVDMUPIBSA-N 442.898 6.617 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3OC)cc2)cc1Cl 1875187408 RMJLGQOFLMDEHI-UKTHLTGXSA-N 436.891 5.401 30 10 IKEE CC1(C)OB([C@]23C[C@@H]2CCN(Cc2cccc(Cl)c2Br)C3)OC1(C)C 1879796582 VRKSKEVDUNKZRI-LIRRHRJNSA-N 426.591 5.161 30 10 IKEE CC1(C)CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Br)c2)[C@@H](CN)C1 1927161135 QKCAJWGMXAFLRD-QVKFZJNVSA-N 436.394 5.238 30 10 IKEE CC[C@@H]1C[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)CN1Cc1ccccc1 1937132929 ZXJRHRUTGCAWRD-HYBUGGRVSA-N 425.598 5.432 30 10 IKEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1999929753 DHVJWQOQVQTHDT-UZUQRXQVSA-N 449.617 5.415 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)NCCC 2003578646 ZWDDTZTYIQRPOB-HJOGWXRNSA-N 430.633 5.601 30 10 IKEE C=CCCCCCCCCC[C@H](O)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2026312835 JTAHRFDIGJMJAJ-VWLOTQADSA-N 431.661 7.262 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1 2028026484 CYEHSSMVLLPNMF-YADARESESA-N 447.576 5.268 30 10 IKEE C[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)[C@H](C)CN1C(=O)OC(C)(C)C 2032000383 OEHNEPGQMQSDOA-RRQZXNHTSA-N 449.636 5.874 30 10 IKEE CCCCCCCc1ccc(-c2c(C#N)c(C=CN(C)C)nc3c2C(=O)c2ccccc2-3)cc1 2040744348 RKKPDGNHCPTFHE-UHFFFAOYSA-N 449.598 6.877 30 10 IKEE CC#CCCC[C@@H](NCCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2073676311 LKVAHJMBBBITBB-SHQCIBLASA-N 442.644 5.392 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Cl)cc1Br 2077804776 DMBLTIGCSGUMHG-IAGOWNOFSA-N 431.802 5.613 30 10 IKEE CC(C)[C@@H](c1ccc(C(F)(F)F)cc1)n1nc(C(C)(C)C)c(C#N)c1Br 2079892650 CXVDYZSRZKHILC-HNNXBMFYSA-N 428.296 6.079 30 10 IKEE CC1(c2nn([C@H](c3ccc(C(F)(F)F)cc3F)C3CCC3)c(Cl)c2C=NO)CC1 2079943593 DXGOKRBEFZBJLT-INIZCTEOSA-N 429.845 5.944 30 10 IKEE Nc1c(C(F)(F)F)nn([C@@H](c2ccc(C(F)(F)F)cc2F)C2CC2)c1Br 2079979689 SYWRBJFNWZMRKC-LLVKDONJSA-N 446.164 5.404 30 10 IKEE CC(C)(C)c1nn([C@@H](c2ccc(C3CCC3)cc2)C2(C)CC2)c(Br)c1C#N 2079980346 CKUSIFWKTJIJOD-FQEVSTJZSA-N 426.402 6.472 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H](Nc2cc(Br)cc(F)c2C#N)CC1 2133508324 JXBSXZZNMAOUEX-KBPBESRZSA-N 426.330 5.098 30 10 IKEE C#CC(C)(C)C[C@H](NCCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134731831 ORUIUMJSZCFWPB-MHZLTWQESA-N 441.615 6.935 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Cl)cc(Br)c1 2136655724 BKTUYFCJSLIBIU-ZWKOTPCHSA-N 443.813 5.450 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CC[C@H](Nc3cc(Br)cc(C#N)c3)C2)CC1 2162327884 KZZXVELIPMCZOW-KRWDZBQOSA-N 434.378 5.302 30 10 IKEE CC(C)(C)OC(=O)NCCC[C@H]1CCCCN1c1cc(Br)cc(F)c1C#N 2174807994 IVMYBMBIHNVKQE-OAHLLOKOSA-N 440.357 5.124 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(F)cc(C(=O)Nc2ccc(Br)c(C#N)c2)c1 2180916062 AFQLDHPYUKPREC-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE C=CCCCCCCC[C@@H](O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2220098620 XHNJMMUFLSQQRD-SHQCIBLASA-N 445.644 6.108 30 10 IKEE CCCCCCC[C@@H](N)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229115234 FFBXZBSRLWYEFU-MOPGFXCFSA-N 427.427 5.573 30 10 IKEE CC1(C)OB(C2[C@@H]3CN(Cc4c(Br)sc5ccccc45)C[C@@H]23)OC1(C)C 2233007416 XTPMPUWWXSUTLC-ZIAGYGMSSA-N 434.208 5.188 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C1CCCN(C(=O)OC(C)(C)C)CCC1 2251345124 NJZSACMKOQLAOX-DEOSSOPVSA-N 430.633 5.555 30 10 IKEE CCCN[C@@H](CC#CC1CCCC1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2251488390 DVXBGGCSZHFDPC-VWLOTQADSA-N 426.645 6.156 30 10 IKEE C=CC[C@@]1(COc2ncc(Br)cc2Cl)CCCN1C(=O)OC(C)(C)C 2259592849 XJNVBTAOAOOMKV-SFHVURJKSA-N 431.758 5.222 30 10 IKEE CCCN[C@H](CC#CC1CCCC1)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2261101841 XGUSFOYANYXZLB-GPUOULLFSA-N 442.644 5.437 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCC(=O)O)c1cc(Cl)cc(Br)c1 2262199855 LWQMBPQHPKQAPU-LJQANCHMSA-N 425.706 5.018 30 10 IKEE CC(C)N(Cc1ccccc1)C(=O)c1cc(C(F)(F)F)ccc1B1OC(C)(C)C(C)(C)O1 2267193362 DKROOSKNAGIFTJ-UHFFFAOYSA-N 447.306 5.055 30 10 IKEE CCN[C@@H](C#Cc1cccc(Br)c1)C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC 2296287210 UEIMTBDGBASIAT-FFZOFVMBSA-N 437.422 5.108 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)C(C)(C)CN(C)C(=O)OC(C)(C)C 2296302367 IBZLAFHGHMWLSZ-LJQANCHMSA-N 437.422 5.062 30 10 IKEE COc1ccc(C=C2Oc3c(ccc4c3[C@@H](c3ccc5ncccc5c3)CC(=O)O4)C2=O)cc1 2297595873 PQALWAMMDDOMKX-OAQYLSRUSA-N 449.462 5.301 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@H](C#N)[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 2304174732 BJFBZIRKRHTPHK-MSOLQXFVSA-N 447.601 5.167 30 10 IKEE C=CCN(CC[C@H](NCCC)c1ccc(OCc2ccccc2)cc1)C(=O)OC(C)(C)C 2314439950 LHLQUFQJKALJKU-VWLOTQADSA-N 438.612 6.120 30 10 IKEE COc1ccc(C=C2SC(=Nc3cccc(C)n3)N(c3ccccc3)C2=O)cc1OC 2314539979 GCVPTWOOMTZJFO-UHFFFAOYSA-N 431.517 5.216 30 10 IKEE CN(C)c1ccc(C=C2SC(=Nc3cccnc3Cl)N(c3ccccc3)C2=O)cc1 2314540288 NGRQXENZPCLJJM-UHFFFAOYSA-N 434.952 5.610 30 10 IKEE Sc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1c(Cl)cccc1Cl 2322260128 DFZRTNMRNHYSEU-UHFFFAOYSA-N 448.162 5.642 30 10 IKEE Cc1ccc(C(=O)C=Cc2c(OCc3c(Cl)cccc3Cl)ccc3ccccc23)cc1 2322586393 WJLFZGDAIWYJGS-UHFFFAOYSA-N 447.361 7.930 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2cc(Cl)ccc2OCc2ccccc2Cl)c1C 2322842794 WBQIBPYCOFSOFI-UHFFFAOYSA-N 439.382 7.702 30 10 IKEE O=C(COc1ccccc1C=CC(=O)c1cc(Cl)ccc1Cl)NCc1ccccc1 2322999170 XYPMQVIFDGURTQ-UHFFFAOYSA-N 440.326 5.585 30 10 IKEE CCCOc1ccccc1C=CC(=O)Oc1ccc2c(c1)OC(=Cc1ccccn1)C2=O 2323341640 WPTBMDJDDBYHMH-UHFFFAOYSA-N 427.456 5.105 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)c4ccc(C(F)(F)F)cc4)ccc3C2=O)cc1 2323348059 PZMPCRVRWLUYEU-UHFFFAOYSA-N 440.373 5.549 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(=O)C(Cl)=Cc4ccccc4)cc(C)c3C2=O)c1 2323441246 QITKSGCPGOJBDX-UHFFFAOYSA-N 446.886 5.805 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1C 2323561878 CFXWADXVWONZQY-UHFFFAOYSA-N 437.879 6.040 30 10 IKEE CCCOc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2C)C3=O)c1 2323839688 QCMQNKVQUWPKMH-UHFFFAOYSA-N 428.484 5.928 30 10 IKEE COc1cccc(-c2csc(NN=Cc3cccc(OC)c3OCc3ccccc3)n2)c1 2323840560 RREBIFGGFIJDLT-UHFFFAOYSA-N 445.544 5.852 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cc(OC)c(OCc3ccccc3C)c(OC)c2)c1 2324016882 RUZVENFFEBDREP-UHFFFAOYSA-N 448.515 5.505 30 10 IKEE CCCOC(=O)COc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1[N+](=O)[O-] 2324349140 ZXURWDDJKKAEJS-UHFFFAOYSA-N 425.481 5.057 30 10 IKEE COc1ccc(OC)c(C=CC(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)c1 2324357076 QFZSPABHDAHLRY-QFIPXVFZSA-N 444.556 5.596 30 10 IKEE CCOc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2cccs2)C3=O)cc1 2324521462 ZXDVEXIJHDACMC-HNNXBMFYSA-N 435.501 5.169 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccc(Cl)cc1)C2=O 2325502800 VNVHKOILLBLWBK-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE Cc1ccc2nc(-c3ccc(NC(=O)C(=O)C=Cc4ccc(F)c(C)c4)cc3)sc2c1 2325690904 QQMKRPJUFOVWFC-UHFFFAOYSA-N 430.504 5.940 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2cccc(C=CC(=O)c3ccccc3Cl)c2)cc1 2325717784 LOFDKGPMBSPQDL-UHFFFAOYSA-N 448.946 6.563 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccccc2Br)c1)c1ccc(F)cc1F 2325725892 JZGKGSKNPGIYOU-UHFFFAOYSA-N 443.243 5.843 30 10 IKEE CCOc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c(C)c3C)c2)cc1 2325755574 VQLOXGVOJFTLPZ-UHFFFAOYSA-N 430.500 5.826 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1OC(=O)c1ccccc1F 2325757209 ASJCLOUCORQLMW-UHFFFAOYSA-N 434.463 5.575 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)CCc2ccccc2C)c1 2325764123 YSEKUGOMNLZGME-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE CCCSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1cccc(OC)c1 2326405757 HMCKBCAQESHHQV-UHFFFAOYSA-N 438.597 5.299 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2OC)n1N=Cc1ccc(C(C)(C)C)cc1 2328689884 YMJOTHLZDCXQNN-UHFFFAOYSA-N 448.636 5.920 30 10 IKEE CCSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1ccc(Cl)c(Cl)c1 2328942089 KRNUQSKWEJJTFP-UHFFFAOYSA-N 433.408 5.981 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3F)n2N=Cc2ccccc2)cc1 2329278534 RLEBOWIAELLGOI-UHFFFAOYSA-N 432.524 5.191 30 10 IKEE Oc1ccc(C=Nn2c(COCc3ccccc3)nnc2SCc2cccc(F)c2)cc1 2329317959 WCOUPKHDZDQYRH-UHFFFAOYSA-N 448.523 5.014 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccccc2F)n1N=Cc1ccc(O)cc1 2329703455 AZYREXCUJQLVPN-UHFFFAOYSA-N 432.524 5.197 30 10 IKEE Cc1ccccc1CSc1nnc(COc2ccccc2)n1N=Cc1ccccc1Cl 2329880050 PTRQKCCYBDDPGQ-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE Cc1cccc(CSc2nnc([C@H](C)c3ccccc3)n2N=Cc2cc(C)ccc2O)c1 2330075777 QNUOYQDLOCIIKX-HXUWFJFHSA-N 442.588 5.927 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCCc2ccccc2)n1N=Cc1cccc(O)c1 2330115402 IQSSMPQIZLZBGF-IBGZPJMESA-N 428.561 5.353 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc(Cl)c2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 2330627478 HJTIIUZKOVAXHR-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2c[nH]c3ccccc23)cc1 2330684711 LNGTVQYFZXHLRX-UHFFFAOYSA-N 443.963 6.254 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 2330687392 NNOKLZMVZLJVPQ-UHFFFAOYSA-N 427.456 5.589 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2)ccc1OC(=O)[C@@H](C)c1ccccc1 2330874530 PIUSKZWOQLRMMD-FQEVSTJZSA-N 444.527 6.008 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(OCC)cc3)cc2)cc1 2331189920 XSYYHGZYQTYJQO-UHFFFAOYSA-N 446.499 5.365 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(Br)c1OC(=O)C1CCCC1 2331281401 SLMPNOQYZJLRMH-UHFFFAOYSA-N 443.337 5.758 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2ccccc2C)c1 2331484844 XISFECNWABFIAR-UHFFFAOYSA-N 433.581 5.084 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2cc(OC)c(Cl)cc2OC)cc1OC 2331695173 SMNDXKQVYQEEPU-UHFFFAOYSA-N 432.900 5.358 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CC(C)C)c(Cl)c2)c(OCC)c1 2331734018 UORBKEQTJVOINF-UHFFFAOYSA-N 430.928 5.985 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c(C)c1 2331764151 GEUSCZFYHIKRJD-UHFFFAOYSA-N 429.472 5.944 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)cc(OC)c1OC(=O)C1CC1 2331863882 BQQMNBBLBVDBBW-UHFFFAOYSA-N 431.315 5.942 30 10 IKEE NCCO[C@@H](C#CC1CCC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2337441788 PRRLBQMXGLPJKA-MHZLTWQESA-N 441.571 5.665 30 10 IKEE CCCC[C@@H](CNC(=O)OC(C)(C)C)Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339589295 VPMYCLYMZHASEF-IQGVVSCOSA-N 445.413 5.222 30 10 IKEE CC[C@@H](NC[C@@]1(C)CCCN1Cc1ccccc1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363828961 ICONIWQRBDCBRE-LEAFIULHSA-N 448.460 5.081 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(Nc2ccccc2Br)[C@H]1C(F)(F)F 2370260751 JAVCHZOPKDMSQE-WMLDXEAASA-N 448.283 5.085 30 10 IKEE CCOc1ccc([C@H]2C3=C(C[C@@H](c4ccc(O)c(OC)c4)CC3=O)Nc3onc(C)c32)cc1 33321129 IPAYWZFNFRISSR-MZNJEOGPSA-N 446.503 5.054 30 10 IKEE CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)/C1=N/Nc1ccc(Cl)cc1Cl 100149538 BJOBLMUYAOEIOH-XIEYBQDHSA-N 444.347 5.616 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)S/C1=N/c1ccccn1 101124085 WTZVEFQYFOOPPW-BBWXTVSKSA-N 434.477 5.182 30 10 IKEE O=C1/C(=C/c2c(Cl)cccc2Cl)S/C(=N/c2ccccn2)N1c1ccccc1 101124497 YKHJNXWBXUUUBF-OQJKFJKISA-N 426.328 6.197 30 10 IKEE COc1ccc(Cl)cc1NC1=C(c2ccc(C(F)(F)F)cc2)C(=O)c2ccccc21 101363992 IRDIYIBIRAATJW-UHFFFAOYSA-N 429.825 6.544 30 10 IKEE COc1ccc2cccc([C@H](C3=C(O)CC(C)(C)CC3=O)C3C(=O)CC(C)(C)CC3=O)c2c1 105583156 HFVQALIVJDKLCD-DEOSSOPVSA-N 448.559 5.708 30 10 IKEE Cc1cccc(-c2nc3cc(N/C=C4\C=C(Br)C=C(Cl)C4=O)ccc3o2)c1 136531968 YQUOKPMQJORKBV-SDNWHVSQSA-N 441.712 6.083 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\S(=O)(=O)c2ccc(C)cc2)cc1OCC 169908693 SINHKVXBNWCFKT-QOMWVZHYSA-N 445.625 6.331 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C)cc2)c1 169934767 FGTRKYQXVNTFQG-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccc(OC)c2)cc1 169936922 UUNPGUXRZRRIDT-DEOSSOPVSA-N 427.500 5.349 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccc(N(C)C)cc2)cc1 169954076 WGBMKJMMEOSAMO-RUZDIDTESA-N 440.543 5.406 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccc(O)cc2)cc1C 169958470 MZEZMAIROWMYDF-JOCHJYFZSA-N 435.426 5.070 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccc(O)cc2)cc1C 169960665 XWZUAIWRJPOXHC-DEOSSOPVSA-N 443.499 5.109 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1cccc(OC(C)C)c1 169980904 KQMSIDGSTKGECD-XMMPIXPASA-N 446.547 5.724 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2cccnc2)cc1C 170002609 JJHANWSIYVOEMJ-DEOSSOPVSA-N 426.516 5.605 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2c2ccccc2C)cc1 170029843 DLIIXVGUGKYQHA-RUZDIDTESA-N 441.527 5.739 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(Cl)cc1 170057078 NESFJHJCCPORMV-OAQYLSRUSA-N 439.895 5.090 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccccc2F)cc1C 170071324 JWHUZVUMQJGBSH-HSZRJFAPSA-N 426.447 5.097 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1cccc(C)c1 170147516 YPPSVABYINLMCS-DEOSSOPVSA-N 435.564 5.798 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@@H]1c1ccccc1OC(C)C 170151004 KTDKBSMKBSCVRM-DEOSSOPVSA-N 449.547 5.177 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1cccs1)c1c[nH]c2ccccc12 170166806 RQFPLUGDOIUKCF-OAQYLSRUSA-N 432.476 5.147 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@H]1c1ccccn1 170172339 RJOUMUJWFIIJPJ-QHCPKHFHSA-N 442.515 5.107 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)[C@H]2c2cccnc2)cc1 170189422 BEZBWRPFQKGOOH-JOCHJYFZSA-N 444.874 5.573 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@@H]1c1ccccc1 170225116 QJROZFVKVSZILL-XMMPIXPASA-N 441.527 5.712 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2)cc1C 170227257 IKUZWMZFYCIVDM-RUZDIDTESA-N 441.527 5.875 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccc(O)c1)c1ccc(Cl)c(Cl)c1 170260648 DIVHIYNKNNZSQX-IBGZPJMESA-N 444.270 5.071 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(O)c2)ccc1OCC(C)C 170264389 CCCUPEXEEXCRPK-DEOSSOPVSA-N 449.547 5.256 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccc2C)cc1C 170270934 VAMPKNPRDMAVDA-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccc(F)c(F)c2)o1 170299329 QSINOAGMBUKOBW-IBGZPJMESA-N 429.806 5.303 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccc(C)o2)cc1C 170300197 FUPYSXCCAZACJB-XMMPIXPASA-N 445.515 5.613 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(C)o2)ccc1Cl 170308085 VDQPPKMAHMBIHD-FQEVSTJZSA-N 429.900 5.161 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2sccc2C)cc1C 170315289 PZLRLEHQNVAWJK-JOCHJYFZSA-N 447.556 5.855 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@H]1c1sccc1C 170318610 HSXTVEWWUQXLFW-SFHVURJKSA-N 433.957 5.487 30 10 IKEE CCOc1cc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)cc(C)c2)ccc1OC 170439573 PMHRSKMOMBGUEG-QHCPKHFHSA-N 447.487 5.087 30 10 IKEE COc1ccc(NC(=O)c2ccccc2)cc1N=Cc1ccc(C#Cc2ccccc2)cc1 254394287 LSBPYXKCEDTPQA-UHFFFAOYSA-N 430.507 6.098 30 10 IKEE COc1ccc(C2=C(C=Nc3ccccc3)[C@H](c3ccccc3)c3ccccc3O2)cc1OC 254439905 XWCCEOZZKMECFI-GDLZYMKVSA-N 447.534 7.042 30 10 IKEE CCCN1C(=O)/C(=C2/C=Cc3ccccc3N2CC)SC1=Nc1ccc([N+](=O)[O-])cc1 254441259 OJAMXJLLMCHAIR-RWTZNIAASA-N 434.521 5.333 30 10 IKEE CC1(C)OC(c2ccccc2)=C/C(=C\C=C/C(=O)/C=C(/c2ccccc2)N2CCOCC2)O1 263622582 SFPHJERGACFUPE-LGGCZAPVSA-N 443.543 5.193 30 10 IKEE O=C(OCc1ccccc1)N1C[C@@H](CS)[C@@H](c2ccc(Br)c(Cl)c2)C1 382681679 AVDMBDVKONARNR-JKSUJKDBSA-N 440.790 5.385 30 10 IKEE C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN(Cc4ccccc4)Cc4ccccc4)[C@H]3C[C@H]12 504379748 HSBSDJNJPQPKOI-QLTWPUIQSA-N 429.604 6.003 30 10 IKEE biogenic COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2c(C)n(C)c3ccccc23)cc1 526604552 OVGGUCZOTXGIEA-SANMLTNESA-N 449.510 5.424 30 10 IKEE CC(C)COc1cccc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2ccccc2C#N)c1 526606958 QWEFVMIQGORNHK-HSZRJFAPSA-N 430.529 5.712 30 10 IKEE N#Cc1ccccc1N1C(=O)C(Nc2ccccc2Cl)=C(Sc2ccccc2)C1=O 526659799 YXMGKJBHYXNUHL-UHFFFAOYSA-N 431.904 5.201 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(Cl)ccc2O)cc1 526743548 ITDFFMIBGCAEJB-QHCPKHFHSA-N 447.918 5.952 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccc(O)c(OC)c1 526822468 ZYAXFNNZAANLBT-QQXSKIMKSA-N 446.576 5.663 30 10 IKEE C=CCN(c1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc(CCCCCC)cc1 586236274 NJBVFCGQEQGAKX-UHFFFAOYSA-N 442.625 5.027 30 10 IKEE Cc1cc(Br)ccc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 698862524 ZOIJONBCSVOLLK-SFHVURJKSA-N 435.749 6.417 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2ccc(Br)c(F)c2)cc1 698960101 VSCNSFPTCUWCCN-GOSISDBHSA-N 435.293 5.603 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H]3C[C@@H](CN3C(=O)OC(C)(C)C)C2)c1 709362126 HHUVVAPMWDAMQD-AOUJKTHWSA-N 441.572 5.418 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)C2(C#N)CCC(NC(=O)OC(C)(C)C)CC2)cc1 724082846 WXEIMIUYBHFVTA-UHFFFAOYSA-N 445.560 5.166 30 10 IKEE C[C@H]1CN(c2ccc([N+](=O)[O-])cc2C=Nc2ccc3c(c2)oc2ccccc23)C[C@H](C)O1 1084283272 RWZXQKINCTWOLT-IRXDYDNUSA-N 429.476 5.858 30 10 IKEE C=CCN1C(=O)C[C@@H](C(=O)Nc2cccc(Cl)c2)SC1=Nc1ccc(Cl)cc1 1084289780 FVIBBWJCCMJIIH-KRWDZBQOSA-N 434.348 5.140 30 10 IKEE C/C=C/[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CCC4=C3[C@H](c3ccc(N(C)C)cc3)C[C@]21C 1084291404 RTCKAOKDXNYXEH-QAOIJLHJSA-N 431.620 5.959 30 10 IKEE CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)O[C@@H](C#N)c1cccc(/C=C/c2ccccc2)c1 1614381247 ZBZHTGMFIGHSJW-KJBXJLISSA-N 426.343 6.556 30 10 IKEE CCCCCCn1c2ccccc2c2nnc(NN=Cc3ccc(O)c(OCC)c3)nc21 1772765138 UPWSSVHXRWSDPN-UHFFFAOYSA-N 432.528 5.110 30 10 IKEE CCCCCCCCN1C(=O)/C(=C\c2ccc(Br)cc2F)SC1=S 1858586865 JNZRFVPWSMKOCA-LFIBNONCSA-N 430.408 6.150 30 10 IKEE CCCCCCCOc1cccnc1NC(=O)N(Cc1ccccc1)Cc1ccccc1 1858821175 YSRVAMPLTVIQKY-UHFFFAOYSA-N 431.580 6.665 30 10 IKEE CCCCCCCOc1cccnc1NC(=O)Nc1c(Cl)cc(Cl)cc1Cl 1858854468 YKSQAJSUVFRDNR-UHFFFAOYSA-N 430.763 7.035 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1cccc(NC(=O)c2cccc(C#N)c2)c1 1860132169 BKODTBYGGYIWED-GOSISDBHSA-N 427.504 5.087 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(Cl)c2)cc1C 1862402917 KOHQULHMWLSCRQ-OAQYLSRUSA-N 425.912 5.178 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2ccco2)cc1 1862415309 UJVYDAOFBKYOCG-QFIPXVFZSA-N 437.442 5.460 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCOc2ccccc2)cc1 1862474749 UBBJIHKDBJMYSD-VWLOTQADSA-N 441.527 5.215 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccc(F)cc2)c1 1862501538 FHAQLDFHTBIOEO-HSZRJFAPSA-N 449.453 5.060 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cccc2ccccc12 1862504884 FNHNYEYBHBTDIA-DEOSSOPVSA-N 447.506 5.292 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2c(F)cccc2Cl)cc1 1862531063 FKPVCVXBTKJGOW-QHCPKHFHSA-N 449.909 5.820 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccc(F)cc2F)c1 1862561718 XDYJXYMFHXUKFH-JOCHJYFZSA-N 438.474 5.016 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 1862668807 HZGDKMIOIOVDTA-HXUWFJFHSA-N 429.438 5.570 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cc(Cl)c(O)c(OC)c1 1862671083 JCEBCFIZQJLYQG-HXUWFJFHSA-N 443.927 5.166 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862674418 WFWCJEMDYZUYRI-HSZRJFAPSA-N 435.495 5.303 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1cccc(F)c1 1862702940 PKSBIOMDGIATOE-HSZRJFAPSA-N 439.527 5.773 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(C(C)(C)C)cc1 1862704690 GOSMLUNMBXOOQP-HSZRJFAPSA-N 435.564 5.761 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccc1 1862713100 HGOXQXWPTVNYTQ-AREMUKBSSA-N 441.571 6.779 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc3cccnc23)=C(c2ccccc2F)C1=O 1863289519 NMJYCNNQZRLRJR-UHFFFAOYSA-N 445.538 5.926 30 10 IKEE C=CCN1C(=O)C(Nc2cccc3c2CCCC3)=C(c2cc(Cl)ccc2Cl)C1=O 1863391414 JTAUOTKFNGZNTN-UHFFFAOYSA-N 427.331 5.250 30 10 IKEE CCCCCCCCNC1=C(c2ccc(F)cc2)C(=O)N(Cc2ccccc2Cl)C1=O 1863504998 LPZNPCPFBIVRCK-UHFFFAOYSA-N 442.962 5.709 30 10 IKEE CCCCCCCCn1cc(OCCCOc2ccc(OC)cc2)c(=O)cc1CN(C)C 1870598163 TWVFYRVOOWYLQO-UHFFFAOYSA-N 444.616 5.127 30 10 IKEE C=CCn1cc(OCc2c(Cl)cccc2Cl)c(=O)cc1CN(C)Cc1ccccc1 1870602321 WEDJJKYESMXOAM-UHFFFAOYSA-N 443.374 5.552 30 10 IKEE C=CCn1cc(OCc2c(F)cccc2Cl)c(=O)cc1CN(CCCC)CCCC 1870635223 CJKJSHWMEGSCBI-UHFFFAOYSA-N 434.983 5.808 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)cc2Cl)c(=O)cc1CNc1cc(C)ccc1C 1871250014 KFFATHRUYRAMPA-UHFFFAOYSA-N 443.374 6.149 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc4c(c1)OCO4)C3=O)CN(C1CCCCCCC1)CO2 1871355785 VJDMMQSRQFVEAZ-MSXFZWOLSA-N 447.531 5.605 30 10 IKEE Cc1c(OC(=O)/C=C/c2ccc(Cl)cc2Cl)ccc2c1O/C(=C\c1ccco1)C2=O 1871378202 ADFMXMMEQGEGGC-CDVYDLBASA-N 441.266 6.130 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2c(F)cccc2Cl)C3=O)cc1 1871386769 MDQRHCSZPQKUQT-XKZIYDEJSA-N 438.838 5.713 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCCOc4cccc(C)c4)ccc3C2=O)c(OC)c1 1871408439 XBLHAAVIJFUQDM-QFEZKATASA-N 432.472 5.086 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccncc2)C3=O)c1 1871412145 POTBQUOJTNANFF-NLKUQUHMSA-N 428.488 5.029 30 10 IKEE CCCC[C@H](Oc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O)C(=O)O 1871423641 VZUDGKFFOXMTDX-BEWREHSGSA-N 431.282 5.088 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2sccc2C)C3=O)c1 1871454377 MOUGLNWBVDURLB-MTJSOVHGSA-N 433.529 5.615 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cc(C)cc(C)c4)cc(C)c3C2=O)cc1 1871454760 WLYABQOYYLKWRR-CFRMEGHHSA-N 427.500 5.554 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(C)c(C)c2)[nH]c(N2C[C@@H](C)C[C@H](C)C2)n1 1871526116 FLKZRPWANVSWHS-PMACEKPBSA-N 438.664 5.909 30 10 IKEE CCCCCCCCCCN=c1nc(N2CCC[C@@H](C)C2)[nH]c(=Nc2cccc(F)c2)[nH]1 1871546130 HNMIIPLTBFWETL-HXUWFJFHSA-N 442.627 5.387 30 10 IKEE CCCCCCCCCCNC(=O)c1nonc1OCCCCOc1ccc(C)cc1 1872706957 WTWAIRKVPBXGPQ-UHFFFAOYSA-N 431.577 5.487 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3cc(Cl)ccc3Cl)n2)cc1OC 1872761264 JLUUDYYGNGUSKF-OAHLLOKOSA-N 447.343 5.553 30 10 IKEE N#C[C@@H](C(=O)C12CC3CC(CC(C3)C1)C2)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872762281 IGSKKCKZYMYYBN-OPCFLAAUSA-N 431.388 6.510 30 10 IKEE COc1ccccc1-c1csc([C@@H](C#N)C(=O)Cc2ccc(Br)cc2)n1 1872763818 WABKEAAIFFOEBU-INIZCTEOSA-N 427.323 5.000 30 10 IKEE CC(C)c1ccc(O[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc1 1872776618 TUYKQGDSTWKMJT-WZONZLPQSA-N 432.589 6.701 30 10 IKEE CCCCCCCCNC1=C(c2cccc(OC)c2)C(=O)N([C@H]2CCCC[C@H]2C)C1=O 1873048170 RFZMDSIMOCBWED-KNQAVFIVSA-N 426.601 5.304 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2cccc(OC)c2)C1=O 1873214457 KPUPOSANHRCPET-NRFANRHFSA-N 431.536 5.118 30 10 IKEE CCCCCCCCCCNC(=O)c1cc2c(N3C[C@@H](C)C[C@H](C)C3)ncnc2n1CC 1873570815 JTHBAISITRFWKF-SFTDATJTSA-N 441.664 5.804 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1cccc(F)c1)n2CC(C)C 1873621197 KLYCVDCZNQONSY-UHFFFAOYSA-N 439.579 6.251 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)cc2C)cc2c(NCCCCN(CC)CC)ncnc21 1873630058 HTPCWINNABBKNH-UHFFFAOYSA-N 448.615 5.020 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(F)c(Cl)c2)cc2c(N(CC)CCCC)ncnc21 1873654618 NDCAZORLQAGXRE-UHFFFAOYSA-N 429.927 5.289 30 10 IKEE CCCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc(F)cc1F 1874232545 OBXKECYKHREYDL-JVWAILMASA-N 436.531 5.879 30 10 IKEE CCOc1ccc(OCc2nnc(SCC)n2/N=C/c2ccc(C(C)(C)C)cc2)cc1 1874235699 WCIDPHKMTJQYEQ-PCLIKHOPSA-N 438.597 5.548 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2Cl)n1/N=C/c1cc(C)ccc1O 1874278898 JGDVOPZOISYGNJ-ZMOGYAJESA-N 426.973 5.281 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SC)nnc2C2CCC(CCCC)CC2)cc1 1874286141 QYKANCJYFPRURP-LGUFXXKBSA-N 442.673 6.915 30 10 IKEE CCCSc1nnc(COCc2ccccc2)n1/N=C/c1ccc(N(CC)CC)cc1 1874354978 LKZMKGXBAPHMEJ-KOEQRZSOSA-N 437.613 5.225 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2/N=C/c2cccs2)cc1 1874356081 QTZACRAPEADMDS-MFKUBSTISA-N 432.618 6.030 30 10 IKEE C=C(C)CSc1nnc(CC2CCCCC2)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874407852 SFHBIIVIYOFFST-MFKUBSTISA-N 442.629 5.747 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCC)cc1OC 1874412306 BQPMKALIMHTBIH-XQNSMLJCSA-N 444.626 5.502 30 10 IKEE O=[N+]([O-])c1cccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccc(F)cc2)c1 1874416374 MORJKNQFUKSUTI-MFKUBSTISA-N 447.495 5.091 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CC(C)(C)C)nnc1SCc1ccccc1F 1874438664 MPYWDAZWHYZECE-WGOQTCKBSA-N 438.572 5.745 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C2CCCC2)cc1 1874457826 JQSBWVXUZBYEKD-WYMPLXKRSA-N 430.936 5.608 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2C(C)(C)C)cc1OC 1874483755 LPIWCYFTJBGVRJ-MFKUBSTISA-N 438.597 5.466 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2Cl)nnc1C(C)(C)C 1874485598 FGESIZMQMFDKOD-WYMPLXKRSA-N 449.407 6.066 30 10 IKEE Fc1ccccc1CSc1nnc(C2CCC2)n1/N=C/c1ccc(Br)cc1 1874495622 VSWYTTGBHUQZGI-FSJBWODESA-N 445.361 5.622 30 10 IKEE C=C(C)CSc1nnc(CCC)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874507680 OWWHDUBFIRIFDM-AFUMVMLFSA-N 441.000 6.013 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccccc1OC 1874508528 IYCXCMSGHMVUSC-FSJBWODESA-N 435.380 5.721 30 10 IKEE Fc1ccccc1CSc1nnc(C2CC2)n1/N=C/c1cccc(Br)c1 1874519963 UQPPNVCBWOTPHZ-SSDVNMTOSA-N 431.334 5.232 30 10 IKEE CCc1nnc(SCC(=O)Nc2cccc(C)c2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874524449 ONOGQBDEPKYXJX-FOKLQQMPSA-N 448.379 5.069 30 10 IKEE Cc1nnc(SCc2cccc3ccccc23)n1/N=C/c1c(Cl)cccc1Cl 1874533736 ZCHVDLMKRBETST-WYMPLXKRSA-N 427.360 6.221 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCc2ccc(C)cc2)cc1 1874573994 PFGHCGUVNCOCEH-FOCLMDBBSA-N 448.990 7.475 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccccc1OCc1cccc(C)c1 1874586344 JPHPGNZROFAPQU-ZHACJKMWSA-N 427.327 6.786 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccccc2OCC(=O)NCc2ccccc2)c1C 1874587026 QRTVPDFGXONSKZ-CCEZHUSRSA-N 427.544 5.512 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1OCCc1ccccc1 1874594958 MJBIACWCYMHNNR-ZRDIBKRKSA-N 437.333 5.975 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1ccc2c(c1)CCCC2 1874603955 NNCBPWHLBHQURW-NTUHNPAUSA-N 447.918 6.602 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3C)c(Br)c2)cc1 1874605154 RPSZYVDIEKMIBY-GXDHUFHOSA-N 435.361 6.795 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)ccc1OCc1cc(C)ccc1C 1874606941 OCLIFTIFEQSOTO-FMIVXFBMSA-N 430.544 6.494 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 1874608256 FAKKVRRVJPTJKG-AWNIVKPZSA-N 438.907 5.841 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(OC)c(OCc2ccc(Cl)cc2)c(OC)c1 1874610419 RMVVZDKTTASLPT-JLHYYAGUSA-N 438.907 5.841 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OCc1ccc(F)cc1 1874618664 MPNVBUDQUAMHDZ-SDNWHVSQSA-N 430.519 6.655 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OCc1cccc(F)c1 1874623286 VEXLAPXDZTWNIO-FYWRMAATSA-N 426.487 6.853 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OCc1ccc([N+](=O)[O-])cc1 1874629617 LWWDWFHMKPPAQE-XYOKQWHBSA-N 445.515 6.312 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OCc1ccccc1Cl 1874635072 FWQPJKYDUIQRTM-ZRDIBKRKSA-N 434.963 7.139 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 1874639136 KJKOTELJZYAOSH-RUDMXATFSA-N 447.745 7.131 30 10 IKEE COc1cccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc4ccccc4c3)c2)c1 1874693848 ZBBZJMMJLYNFCK-NTCAYCPXSA-N 438.479 5.729 30 10 IKEE CC(C)c1ccc(O[C@H](C)C(=O)Oc2cccc(/C=C/C(=O)c3ccccc3Cl)c2)cc1 1874697357 ZYPXDPSOGJHXFP-KZIRBZLESA-N 448.946 6.732 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(F)c(F)c2)c1)c1ccc(Cl)c(Cl)c1 1874702857 NHEAASYTPHZIMX-RUDMXATFSA-N 433.237 6.387 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)cc1OC(=O)C1CCCC1 1874711662 FPTUYNISOJRQMT-VQHVLOKHSA-N 449.330 6.002 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cccc(OC(=O)c3ccccc3F)c2)c1 1874711909 MWKMBJSEURYCBS-WYMLVPIESA-N 434.463 5.738 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cccc(OC(=O)CCc2ccccc2C)c1 1874715176 HCMVJKJAVGCCRI-ACCUITESSA-N 448.946 6.400 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(F)cc2F)cc1OC 1875120117 CDOSPSJGZYKIPV-DHZHZOJOSA-N 436.882 6.399 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc(Cl)ccc3Cl)cc2)cc1 1875129669 NXALGVJLZOZVCT-LHHJGKSTSA-N 441.310 6.507 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3c(C)ccc(C)c3C)cc2)c(C)c1 1875131104 IDDGPKGHFSIWFK-RVDMUPIBSA-N 428.528 6.109 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)cc3)c([N+](=O)[O-])c2)ccc1F 1875141588 LFVAYRSCCUITAW-WTDSWWLTSA-N 439.826 5.811 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(OC)ccc2OC)cc(Cl)c1OC(=O)C1CCC1 1875144663 KJLRJFATLNHXDC-CSKARUKUSA-N 444.911 5.358 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccccc1OC 1875150661 YKXNENNVWVMDOL-MHWRWJLKSA-N 444.527 6.117 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OC(=O)c1ccc(F)cc1F 1875156193 OCCQWLFMMAFSHS-UKTHLTGXSA-N 444.433 6.242 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)c1sccc1C 1875175180 CGPYDGKVNMBDGU-VQHVLOKHSA-N 436.529 5.806 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(C)=O)c(OCC)c2)c(OCC)c1 1875177274 DCDVPNLXJFOTEM-DHZHZOJOSA-N 432.900 5.358 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccccc2OC)cc1 1875180486 OEEBLBZBXZQVSD-JLHYYAGUSA-N 436.891 5.781 30 10 IKEE COc1ccc(NS(=O)(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)cc1C#N 1891710080 HRALSMFQPDJKRU-UHFFFAOYSA-N 433.316 5.341 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccc(Cl)cc1I 1904070755 VKLFCCCQUOCFHX-HNNXBMFYSA-N 448.732 5.402 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1ccc(NC(=O)OC(C)(C)C)c(OC)c1 1924362058 JDPVPBHJMIMFHD-QHCPKHFHSA-N 426.557 5.466 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 1944737064 UJMMOPLTASWYAM-VQTJNVASSA-N 435.609 5.628 30 10 IKEE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(C#N)cc1 1984692149 KLKDKGSVDOLHDQ-VWLOTQADSA-N 439.515 5.060 30 10 IKEE C#CCCN(CCC)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC 1984778025 AVIOOKFBYBTFFC-FNZWTVRRSA-N 446.591 5.202 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1C[C@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 2001938291 JVGYJDPGKIERTO-NTKDMRAZSA-N 435.609 5.628 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2cccs2)cc1Cl 2033815745 QSYORPJVUGIZRF-SFHVURJKSA-N 445.949 5.250 30 10 IKEE C[C@H](N(Cc1ccccc1)Cc1cc(F)cc(B2OC(C)(C)C(C)(C)O2)c1)C(C)(C)C 2034762991 DGHJUARNIREWDF-IBGZPJMESA-N 425.397 5.562 30 10 IKEE C[C@H](N(Cc1ccccc1)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F)C(C)(C)C 2034763550 IYGGNPFKRCLHDE-IBGZPJMESA-N 425.397 5.562 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]12CCC[C@]1(F)CN(C(=O)OC(C)(C)C)C2 2052200485 JKDXVOVLXMXSFK-DFCKQENNSA-N 446.607 5.257 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 2059075461 XNUUKIPCPPIANZ-BWKNWUBXSA-N 438.612 6.086 30 10 IKEE C=C1CC(C[C@H](N)[C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1 2071360011 XKSXQUNPDDVFOI-LBNVMWSVSA-N 429.560 5.562 30 10 IKEE Cc1cc(C)c([C@@H](n2nc(C(F)(F)F)c(C=NO)c2Br)C(C)(C)C)c(C)c1 2079860082 DXCVKOGOMRXQNL-MRXNPFEDSA-N 446.311 6.033 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)C1CCC(F)(F)CC1 2087496980 AEFDGUUKYJMTSH-INIZCTEOSA-N 429.305 5.908 30 10 IKEE N[C@@H](C#Cc1ccccc1)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2191332528 ZLGWZBYBHNKKNA-FIBWVYCGSA-N 449.550 5.257 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1sc(C)c(Br)c1C 2219016557 DJTYYBMLIHPELK-GDBMZVCRSA-N 429.424 5.085 30 10 IKEE CN[C@@H](C#Cc1ccccc1Br)c1ccc(C)c(NC(=O)OC(C)(C)C)c1 2235725687 DQOWXBYRIXNRJD-IBGZPJMESA-N 429.358 5.417 30 10 IKEE C=CCCCCCC[C@@H](O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237383226 HNBYOOICKDXJLN-WOJBJXKFSA-N 440.422 5.772 30 10 IKEE Cc1sc(C(=O)N(Cc2ccccc2)C(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1C 2247801681 GBHWIHNCALYZAB-UHFFFAOYSA-N 427.419 5.105 30 10 IKEE C=CC[C@]1(COc2ncc(Cl)cc2Br)CCN(C(=O)OC(C)(C)C)C1 2259525225 ALBCBZHQWKTSAC-SFHVURJKSA-N 431.758 5.080 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)c1ccc(NC(=O)OC(C)(C)C)cc1 2261829933 SDJNILYKHGOXBE-QHCPKHFHSA-N 441.524 5.339 30 10 IKEE COC(=O)c1ccc(C=C2SC(=Nc3cccc(C)c3)N(c3cccc(C)c3)C2=O)cc1 2294780522 VMWGBDZMGOXHLP-UHFFFAOYSA-N 442.540 5.899 30 10 IKEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)C#Cc2ccc(Br)cc2)cc1 2296228573 AIXHZVZVWHBOBF-OAHLLOKOSA-N 428.326 5.269 30 10 IKEE Cc1c(NC(=O)OC(C)(C)C)ccc([C@H](O)C#Cc2cccc(Br)c2)c1C 2296229441 JOJCGKFMSLVONW-HXUWFJFHSA-N 430.342 5.498 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3cc(OCc4cccc(Cl)c4)ccc3C1=O)cn2C 2296638221 XQEXOSRIRMDEBW-UHFFFAOYSA-N 445.902 6.036 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1cccc(Cl)c1Cl)C2=O)c1ccccc1Cl 2314437064 BQFVKIDTPUYUGJ-UHFFFAOYSA-N 445.685 6.482 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2Cl)C3=O)cc1 2314438564 XGDZYNSEGZSELY-UHFFFAOYSA-N 425.267 6.137 30 10 IKEE CC(=Cc1ccccc1)C=C1SC(=NN=Cc2cccnc2)N(Cc2ccco2)C1=O 2314819053 QWXKTRALIQPCKW-UHFFFAOYSA-N 428.517 5.128 30 10 IKEE NCCO[C@H](C#CC1CC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2315818835 IFELWGKWHDOAHC-AREMUKBSSA-N 427.544 5.274 30 10 IKEE CN[C@@H](C#C[C@@H]1CC1(C)C)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2317331633 WVTYWDCBSPDJSO-FTJBHMTQSA-N 425.572 6.155 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC[C@](C#N)(N(C(=O)OC(C)(C)C)c3ccc(F)cc3)C2)C1 2317575449 GVLGAPZQXZSAAV-DEOSSOPVSA-N 445.535 5.251 30 10 IKEE CCCCCOc1c(OC)cc(C=NNc2nc(-c3ccccc3)cs2)cc1[N+](=O)[O-] 2318417918 KFOSZLUSGVFVCC-UHFFFAOYSA-N 440.525 5.742 30 10 IKEE CCSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1N=Cc1ccccc1 2321359550 ZOONDQQUMRSBIR-UHFFFAOYSA-N 435.380 5.591 30 10 IKEE CCCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(-c2ccccc2)cc1)C3=O 2322052073 XBLWYJGCHYJQHN-UHFFFAOYSA-N 439.555 6.620 30 10 IKEE Cc1cccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3nc5ccccc5[nH]3)C4)C2=O)c1 2322415964 QQPSPHNUGMXCDW-UHFFFAOYSA-N 437.499 5.148 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccccc2OCC(=O)N[C@@H](C)c2ccccc2)cc1 2322605094 KNWNKZNPKRYLAD-NRFANRHFSA-N 443.543 5.628 30 10 IKEE O=C(C=Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1cccc2ccccc12 2322722971 PMCARXGEXIQVSV-UHFFFAOYSA-N 448.949 8.122 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)c4cc5cc(Cl)ccc5o4)ccc3C2=O)c1 2322845571 LACOTOHLZYONSB-UHFFFAOYSA-N 430.843 6.230 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1OCc1ccccc1Cl 2323072433 BEYVYNUEQNVBIE-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OCc1ccc(Cl)cc1Cl 2323157626 BICWPDCVNOWUAT-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE COc1ccc(OC)c(C=C2Oc3cc(OC(=O)c4ccc(C)c(C)c4)ccc3C2=O)c1 2323247358 PCPXNJMKCUAQBT-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OCc1ccc(F)cc1 2323404384 DCFFCKJFAUDVPW-UHFFFAOYSA-N 426.487 6.853 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OCC(=O)NCCC 2323437151 LGBSVWKUHTYODI-UHFFFAOYSA-N 447.575 5.104 30 10 IKEE COc1cc(C=NS(=O)(=O)c2cccs2)ccc1OCc1ccc(C(C)(C)C)cc1 2323438062 MATZTXZGVIJQBP-UHFFFAOYSA-N 443.590 5.441 30 10 IKEE CCCCCCCCCOc1ccc(C=NNC(=S)NC2CCCCC2)c(Cl)c1 2323854668 LXZUDHMUMPQKAD-UHFFFAOYSA-N 438.081 6.600 30 10 IKEE CCCC(=O)Oc1ccc2c(c1C)OC(=Cc1cc(Br)ccc1OC)C2=O 2323921699 JWZFGFZKCJEVCW-UHFFFAOYSA-N 431.282 5.088 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 2323992439 ORDCOYKNEFAQDX-UHFFFAOYSA-N 437.879 6.040 30 10 IKEE Cc1cc(O)c(CN2CCCC[C@@H]2C)c2c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O2 2324010310 CPLJKMVSVYBRNR-AWEZNQCLSA-N 432.347 5.998 30 10 IKEE Cc1cc(OCCCOc2ccccc2)cc2c1C(=O)C(=Cc1c(F)cccc1Cl)O2 2324241208 UYCADIFHGZAHOD-UHFFFAOYSA-N 438.882 6.252 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)c(C)c1C 2324295043 SPKDLTYTQIKJLL-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE Cc1cc(O[C@H](C)C(=O)Nc2ccc(F)cc2)cc2c1C(=O)C(=Cc1ccc(F)cc1)O2 2324317578 MWDWVVNNNGEJHF-OAHLLOKOSA-N 435.426 5.295 30 10 IKEE COc1ccc(OC)c(C=C2Oc3c(ccc(OCCOc4cccc(C)c4)c3C)C2=O)c1 2324532283 MXSPHEBSSLDCOL-UHFFFAOYSA-N 446.499 5.395 30 10 IKEE C=C(C)COc1c(Cl)cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc1OCC 2324537446 WFFMFWRXBMTBFS-UHFFFAOYSA-N 435.347 6.560 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cc(C)cc(C)c3)cc2)cc1Cl 2324608312 LYFHAGDMINZVNB-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE O=[N+]([O-])c1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2cccc(F)c2)cc1 2325471627 LBLXLZRJRITUKR-UHFFFAOYSA-N 447.495 5.091 30 10 IKEE Cc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2cccc(Cl)c2)cc1 2325494444 AHVWHYXZEAXTTO-UHFFFAOYSA-N 432.980 6.005 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1cccc(F)c1 2325532703 QFXJEIGPCQKLHQ-UHFFFAOYSA-N 437.371 6.241 30 10 IKEE CCc1ccc(C(=O)Oc2cc(C=CC(=O)c3cccc([N+](=O)[O-])c3)ccc2OC)cc1 2325675249 DEEZKNKHBUGWKL-UHFFFAOYSA-N 431.444 5.281 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OCC(=O)Nc4cccc(Cl)c4)c3C)C2=O)c1 2325717473 YTZBWRQNKREEJU-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE COc1ccc(OCCCC(=O)Oc2cccc(C=CC(=O)c3ccccc3OC)c2)cc1 2325724299 FTZNJAUGMRYBLH-UHFFFAOYSA-N 446.499 5.365 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cccc(OC(=O)CCc2ccccc2C)c1 2325757877 YXHXZOAWRTUPIO-UHFFFAOYSA-N 428.528 6.055 30 10 IKEE CCc1ccccc1OCC(=O)Oc1cccc(C=CC(=O)c2ccc(OC)cc2OC)c1 2325761758 OGWMDURZNFWXPQ-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE CCSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1cc(C)ccc1O 2325908732 LUOBFPDAZRDHFF-UHFFFAOYSA-N 437.352 5.172 30 10 IKEE Cc1cc(C)cc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccccc2F)c1 2326417958 BCVHBXCSLIPQPE-UHFFFAOYSA-N 444.579 5.994 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCC=C)n1N=Cc1ccccc1Cl 2326468018 AAJDNVVDKZBGEH-UHFFFAOYSA-N 440.956 5.236 30 10 IKEE CCc1nnc(SCc2cccc(C(=O)OC)c2)n1N=Cc1ccc(Cl)cc1Cl 2326756832 GAUJWKLULNANTL-UHFFFAOYSA-N 449.363 5.108 30 10 IKEE CC(C)c1ccc(C=Nn2c(Cc3cccc4ccccc34)nnc2SCCO)cc1 2327797744 JDKFXGUUKAMIPB-UHFFFAOYSA-N 430.577 5.112 30 10 IKEE CCCCC1CCC(c2nnc(SC)n2N=Cc2ccc(OC(C)C)c(OC)c2)CC1 2328103570 MSRYKZOAPAZLPF-UHFFFAOYSA-N 444.645 6.142 30 10 IKEE COc1ccc(OCc2nnc(SCCc3ccccc3)n2N=Cc2ccccc2)cc1 2328395600 HWERFVXORHSMOF-UHFFFAOYSA-N 444.560 5.083 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2cccc(F)c2)cc1C 2328790142 OLZNJYBIZQWWSQ-UHFFFAOYSA-N 446.551 5.788 30 10 IKEE Cc1cccc(OCc2nnc(SCc3cccc(F)c3)n2N=Cc2ccc[nH]2)c1C 2328849187 AYNNNFPQPCYYJR-UHFFFAOYSA-N 435.528 5.116 30 10 IKEE Fc1cccc(CSc2nnc(Cc3ccc(Cl)cc3)n2N=Cc2ccc[nH]2)c1 2329084834 KQPIUANBHOWUDA-UHFFFAOYSA-N 425.920 5.164 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3F)n2N=Cc2cc(C)ccc2O)cc1 2329700943 XDJWOEPLJWMWOB-UHFFFAOYSA-N 446.551 5.505 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc[nH]1 2329777399 RMPYZHIKVVEURH-UHFFFAOYSA-N 425.920 5.164 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2)n1N=Cc1ccc(Cl)cc1Cl 2329918636 UJVXMNYZKFVGSH-UHFFFAOYSA-N 433.364 5.714 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccco1 2330078744 LGDQRXPCGVCXES-INIZCTEOSA-N 433.493 5.106 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cccc(O)c1 2330132556 CMOFSQDEOIZCQF-QGZVFWFLSA-N 448.979 5.963 30 10 IKEE Oc1ccccc1C=Nn1c(SCc2ccccc2Cl)nnc1-c1cccs1 2330584476 XELCAEJBAQVZTF-UHFFFAOYSA-N 426.954 5.540 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(-c2cccs2)n1N=Cc1ccco1 2330592858 LJNNDJLVCKWZHD-UHFFFAOYSA-N 435.361 6.081 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(Cl)c1OC(=O)CCOC 2330667123 UEVKLDITAJJLMA-UHFFFAOYSA-N 438.907 5.730 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2ccccn2)c(Cl)c1 2330700563 BAACFZHKMJJWNT-UHFFFAOYSA-N 440.359 5.821 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 2330794778 ZQNVEXSOSWTUFR-UHFFFAOYSA-N 447.443 5.117 30 10 IKEE CN(C)c1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 2330805320 PYNFKUCNJIOJAL-UHFFFAOYSA-N 440.326 6.175 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Br)cc2)cc(OC)c1OC(=O)CC 2330894509 RLYAOUQUDDRERL-UHFFFAOYSA-N 429.310 5.398 30 10 IKEE Cc1cccc(CSc2nnc([C@H]3CCCO3)n2N=Cc2cn(C)c3ccccc23)c1 2330919434 RVPILXKXJWDAEP-JOCHJYFZSA-N 431.565 5.104 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)c2[nH]c3ccc(C)cc3c2C)cc1 2331051695 CRLCJAWGFUDOMI-UHFFFAOYSA-N 425.484 5.909 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2cc(C)ccc2C)nnc1C1CCCC1 2331071716 KQPFPUCTTMESHV-UHFFFAOYSA-N 446.620 6.292 30 10 IKEE CCCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccccc2OC)cc1OC 2331076188 NUTQFLUSHPIVKI-UHFFFAOYSA-N 433.298 5.068 30 10 IKEE Fc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C(F)(F)F)c(F)c1 2331150525 PYGOBGNSSIVKND-UHFFFAOYSA-N 432.805 5.403 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1cccc(OC)c1 2331154447 ISEVTFLRSMDJAL-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE Clc1ccc(C=Nn2c(SCc3ccccc3)nnc2-c2ccco2)c(Cl)c1 2331205027 WGLFJBAXHFVWCU-UHFFFAOYSA-N 429.332 6.019 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc(Br)c1OC(C)=O 2331246378 HKHOUAUPKWOKDX-UHFFFAOYSA-N 444.108 5.586 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)c1ccc(C)c(C)c1 2331256763 YOLCXMYZQNKPCB-UHFFFAOYSA-N 434.919 6.389 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)CCc1ccccc1 2331259753 XVHOGUXUBZDBAJ-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE CCCCC(=O)Oc1c(OCC)cc(C=CC(=O)c2cc(C)ccc2OC)cc1[N+](=O)[O-] 2331364591 NVKXTHXJAHDXBU-UHFFFAOYSA-N 441.480 5.302 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC(=O)CCOc1ccccc1 2331377045 BTJSRGHIOIJLTC-UHFFFAOYSA-N 446.499 5.283 30 10 IKEE Cc1cccc(CSc2nnc(C(C)(C)C)n2N=Cc2c(Cl)cccc2Cl)c1 2331381177 SDPHYDZDKUPINM-UHFFFAOYSA-N 433.408 6.365 30 10 IKEE O=C(CC12CC3CC(CC(C3)C1)C2)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1 2331434286 NKVCRYMDDWAOCO-UHFFFAOYSA-N 444.527 5.823 30 10 IKEE C=C(C)CSc1nnc(CC(C)C)n1N=Cc1ccc(OCCCCC)c(OCC)c1 2331453436 SYFGQOUURNTZGQ-UHFFFAOYSA-N 444.645 5.995 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccccc2F)c([N+](=O)[O-])c1 2331665302 OVEPMTMIGMLXIE-UHFFFAOYSA-N 449.434 5.475 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)C3CCC3)c(OCC)c2)c(OCC)c1 2331736587 KEJZTADRWNPSDK-UHFFFAOYSA-N 438.520 5.484 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccco2)c([N+](=O)[O-])c1 2331794763 CHBJAGRRJFDRBL-UHFFFAOYSA-N 433.460 5.909 30 10 IKEE Cc1ccc(C=CC(=O)Nc2c(C#N)nnn2Cc2c(Cl)ccc(Cl)c2Cl)cc1 2332148133 JLWMACUTLKSCSN-UHFFFAOYSA-N 446.725 5.119 30 10 IKEE CN[C@H](C#C[C@H]1[C@@H]2COC[C@H]12)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2341637189 KZQDIPKCWGIANI-JVYGEBFASA-N 439.555 5.001 30 10 IKEE CCCCCCC[C@@](C)(O)Cc1ccc(I)c(Br)c1 2349799602 UWKCDBHWZWNXPW-MRXNPFEDSA-N 439.175 5.708 30 10 IKEE CC[C@@H](Nc1cccc(OCc2ccccc2)c1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363844513 RUIMKAZKUNTXGY-AREMUKBSSA-N 443.396 6.128 30 10 IKEE CCCCCCCCC[C@@H](NCC)c1sc(Cl)cc1I 2363958274 MADPZFCDZJEXNE-CQSZACIVSA-N 427.823 6.797 30 10 IKEE CC1(C)OB(C=Cc2ccc(N[C@@H]3CCCCCN(Cc4ccccc4)C3)nc2)OC1(C)C 2365117707 QFPOMUMMQYJMFM-XMMPIXPASA-N 447.432 5.583 30 10 IKEE N#Cc1cc2c(nc1SCc1ccc(Cl)c(Cl)c1)CCN(Cc1ccccc1)C2 1471668 PUORWSHZBIKGAT-UHFFFAOYSA-N 440.399 6.111 30 10 IKEE C=CCN(C(=O)Cn1c(SCc2cc(C)ccc2C)nc2ccncc21)c1ccccc1 8913104 JYTDNKVEWRVEOB-UHFFFAOYSA-N 442.588 5.560 30 10 IKEE C=C(C)CN1C(=O)[C@@H](C)Oc2ccc(NC(=O)CC(c3ccccc3)c3ccccc3)cc21 12169931 JTIMWWAKKZXYDF-HXUWFJFHSA-N 440.543 5.537 30 10 IKEE CCOc1ccc(OCc2nnc(SCCCC#N)n2-c2ccc(C)c(Cl)c2)cc1 21128432 UDHJSEGJGNXNMF-UHFFFAOYSA-N 442.972 5.603 30 10 IKEE O=C1C[C@H](c2ccccc2Cl)CC2=C1[C@@H](c1ccccc1[N+](=O)[O-])Nc1ccccc1N2 21226104 AOQQVNYPBUQCOH-SGANQWHYSA-N 445.906 6.228 30 10 IKEE N#CC1(C#N)[C@H](c2ccc(F)cc2)[C@H](C(=O)c2cccs2)N2C=Cc3ccccc3[C@@H]21 27103959 KHTWMFGHUATBSM-CQOQZXRMSA-N 425.488 5.297 30 10 IKEE N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCCCC(=O)c1cccs1 27750940 HHZQMCARSVRABJ-UHFFFAOYSA-N 432.492 6.456 30 10 IKEE CCOc1ccc(/N=C2/NC(=O)S/C2=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 35517927 VJCAIROIHNQSLU-MOSHPQCFSA-N 435.461 5.781 30 10 IKEE COc1ccc(CO/N=C(/C)c2cc(-c3ccccc3)n(-c3cccc(Cl)c3)c2C)cc1 35843373 BRZJRBPXCAOGQS-CEUNXORHSA-N 444.962 7.056 30 10 IKEE CCCCCCOc1ccc(/C=C2\Oc3ccc(Br)cc3C2=O)cc1OC 39842260 PMDXFFPYYFZOCH-BKUYFWCQSA-N 431.326 6.033 30 10 IKEE CC(C)(C)c1ccc(/C=C2\Oc3cc(OC(=O)c4cc5ccccc5o4)ccc3C2=O)cc1 41352708 PJVNATQRGTVDES-OYKKKHCWSA-N 438.479 6.566 30 10 IKEE COc1cccc(COc2cc(C)c3c(c2)O/C(=C\c2cc(OC)ccc2OC)C3=O)c1 41504040 GZHPWZGTCXBDNG-CFRMEGHHSA-N 432.472 5.216 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/C=C/c1ccccc1)O3)CN(Cc1ccc(F)cc1)CO2 41649294 IXDWTQJXTHKEBH-ABVWVXPPSA-N 427.475 5.659 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc4c3CN([C@@H](C)c3ccccc3)CO4)C2=O)c(OC)c1 41654707 FVNMRFCTKNPQFJ-GWGZVGKXSA-N 443.499 5.233 30 10 IKEE Cc1ccc(NC2=C(C(=S)Nc3ccccc3)C(=O)C[C@H](c3ccc(Cl)cc3)C2)cc1 58840135 ZQNDOZORZIMSPZ-LJQANCHMSA-N 447.003 6.901 30 10 IKEE C=CCN1C(=O)/C(=C/c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)SC1=S 59167667 TYMYJCKYSGCWMB-JMIUGGIZSA-N 442.968 5.869 30 10 IKEE CCOC(=O)c1sc(/N=C/c2ccc(OCc3ccccc3)cc2)c(C(=O)OC)c1C 59461205 UNFXXVBWYUXZEU-AFUMVMLFSA-N 437.517 5.349 30 10 IKEE C/C(=N\Nc1nc(S[C@H](C)c2nnc(C3CCC3)o2)n[nH]1)c1ccc2ccccc2c1 59881089 VTTCTKNTJMDVAP-FIKYGGOLSA-N 433.541 5.298 30 10 IKEE CCOC(=O)c1ccc(/N=C2/S/C(=C\c3c(OC)ccc4ccccc34)C(=O)N2C)cc1 100212495 UICZKTAGXSLOEJ-INCSMEFSSA-N 446.528 5.259 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(Sc2ccccc2)c1N 101531699 LLDQLJCBWYZRQC-UHFFFAOYSA-N 442.717 8.103 30 10 IKEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nnc(C)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 136192950 BIBJWBBIWYIXEY-GOBJLOIFSA-N 447.560 5.079 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2cccc(OC)c2)cc1 169931483 KBEUXPGSHYYVHA-DEOSSOPVSA-N 443.499 5.049 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2cccc(C)c2)c1 169966576 RFMHCGREINGPLC-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccc3c(c2)OCO3)c1 169967927 HKDGQGVTFMSWDO-XMMPIXPASA-N 441.483 5.123 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2ccc(Cl)cc2)c1 169969908 RPHNSEOUUVJPPX-HSZRJFAPSA-N 445.902 5.366 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@@H]2c2cccnc2)c1 170003500 PIEFCYQOTFYHPH-HSZRJFAPSA-N 442.515 5.171 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2C)[C@@H]1c1ccccc1 170052013 NLADVXJFKXFZLJ-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2ccc(F)cc2)c1 170140694 AXMRNBTWZIFWTC-RUZDIDTESA-N 437.470 6.070 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2c2ccccc2)c1 170141584 OLJAIGVXAWAGQA-XMMPIXPASA-N 427.500 5.565 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccs2)cc1Cl 170161463 JNBABLALJNFBOQ-FQEVSTJZSA-N 439.920 5.501 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccncc2)cc1 170201140 GIBNFEOSCZRWGJ-VWLOTQADSA-N 438.527 5.306 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@H]1c1ccncc1 170202872 NCUALPQNKQQYHU-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(Cl)ccc3OC)[C@@H]2c2ccccc2)c1 170221271 CEGNFLAFWCCEEM-QFIPXVFZSA-N 449.890 5.140 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)cc(C)c3OC)[C@@H]2c2ccccc2)c1 170221348 XIQZHCJLBCPRFB-QHCPKHFHSA-N 443.499 5.104 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2ccccc2)c(C)c1 170228248 RFNIJCJVDKMFHL-DEOSSOPVSA-N 425.484 5.021 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2)cc1C(C)C 170230374 JDCHJTNGMPRVKQ-XMMPIXPASA-N 445.515 5.499 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(Cl)cc2)c1 170235110 XOEISNDVUHRTGK-HSZRJFAPSA-N 447.918 5.910 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1F)c1ccc(Cl)cc1 170248212 VFJYCPFDYHCJNA-FQEVSTJZSA-N 425.818 5.401 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccc(O)c2)cc1 170258202 JNDLJSRQAARCLC-HSZRJFAPSA-N 447.462 5.101 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1cccc(O)c1 170263569 IUOHZAQJQNSUOR-QHCPKHFHSA-N 437.536 5.256 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccco1)c1cc2cc(Cl)ccc2o1 170282460 PVHSXTMSTSBXCX-FQEVSTJZSA-N 437.810 5.601 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccco2)c1 170282785 UQRHGMJEGWVTJZ-MWTRTKDXSA-N 429.472 5.003 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccco2)cc1 170296781 RJSPKPXDSIYJKE-QHCPKHFHSA-N 449.478 5.029 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1F)c1ccco1 170382213 VLYVGHSFFPQVJC-SFHVURJKSA-N 431.341 5.220 30 10 IKEE COc1ccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(OC(F)(F)F)cc2)cc1 170426371 AAQHUMWVCDWRAM-FQEVSTJZSA-N 449.425 5.109 30 10 IKEE Cc1ccccc1N=C1S/C(=C/c2ccc(N(C)C)cc2)C(=O)N1c1ccccc1C 252632067 VPPYNVKVOBODLN-DNKROPNVSA-N 427.573 6.178 30 10 IKEE CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@H]4[C@]3(C)CC[C@H]3C(C)(C)C(=O)CC[C@]34C)[C@@H]2C1 256606793 XQIVDOSRZQSWFL-CRGQXWSESA-N 438.696 7.556 30 10 IKEE biogenic Cc1c(N=Cc2ccc(Sc3cccc4cccnc34)o2)c(=O)n(-c2ccccc2)n1C 263628098 BNGBGZLWMLMVTF-UHFFFAOYSA-N 440.528 5.527 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccc(Cl)c2)c1 526487248 VYCZYDJGBVHXNW-DEOSSOPVSA-N 444.918 6.058 30 10 IKEE CC(C)COc1cccc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 526488683 LYGWTNPVUTUBMO-HSZRJFAPSA-N 430.529 5.712 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(Nc2ccccc2C#N)=C(SCc2ccco2)C1=O 526666476 GDTYUSPHAMLBNK-UHFFFAOYSA-N 449.919 5.243 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(Cl)ccc2C)c1 526773538 SIZGQAGYHGCPHE-HSZRJFAPSA-N 447.918 5.830 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccc(Cl)c(Cl)c1 526811067 ABQMYBBUYITRBW-KSEXSDGBSA-N 439.799 6.365 30 10 IKEE COc1ccc2ccccc2c1/C=N\n1c(C)nnc1SCc1c(F)cccc1Cl 526817414 LOODYEFYSLMTHQ-ROTLSHHCSA-N 440.931 5.715 30 10 IKEE CCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1cc(Cl)c(O)c(Cl)c1 526819242 PNSRGBPTPOMLCJ-RMORIDSASA-N 435.380 5.644 30 10 IKEE C[C@H]1C[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C 698373082 DDAJKCSFVYDHRT-UUOWRZLLSA-N 429.561 5.105 30 10 IKEE COCc1cccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)c1 698456368 IOPNXFHZUQSTJR-LJQANCHMSA-N 431.330 5.602 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)C1(C#N)CCC2(CCCC2)CC1 698483488 XDDFPHXPWVWCQZ-UHFFFAOYSA-N 433.390 6.587 30 10 IKEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(Br)ccc1Cl 700615293 FEUROWFMGXYDDM-KRWDZBQOSA-N 444.801 5.246 30 10 IKEE Cc1ccc(NN=Cc2ccc(-c3ccc(Cl)c(C(=O)OCC#N)c3)o2)cc1Cl 1084162923 QSMSUJLNVMIBMU-UHFFFAOYSA-N 428.275 5.688 30 10 IKEE O=C(Nc1ccccc1Cl)N(/C(=N\C1CCCCC1)N1CCOCC1)C1CCCCC1 1088674294 ZRFIEBGODFFOLU-RWEWTDSWSA-N 447.023 5.528 30 10 IKEE C/C(=C1\SC(=Nc2cccnc2Cl)N(C2CCCCC2)C1=O)c1ccc(C)c(C)c1 1772733188 KZHJXVPOCUYJCN-YRGJWNIQSA-N 440.012 6.679 30 10 IKEE C/C(C=NN=C1S/C(=C\c2ccccc2)C(=O)N1Cc1ccco1)=C/c1ccccc1 1772759307 PNBVSPVBFBENEO-NSJRASOSSA-N 427.529 5.841 30 10 IKEE N#Cc1ccccc1NC(=O)c1nn(Cc2ccc(F)cc2)c(-c2ccccc2)c1Cl 1859382347 VZIUJVYVDHKRHR-UHFFFAOYSA-N 430.870 5.515 30 10 IKEE COc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(=O)Nc3oc(C)c(C)c3C#N)oc2c1 1859760619 NLFJVNRVODVWEO-UHFFFAOYSA-N 448.862 5.456 30 10 IKEE Cc1nc(Nc2cccc(Nc3ncc4c(c3C#N)CCCC4)c2)cc(-c2ccccc2)n1 1859860721 LOHDHXGCMVWYQK-UHFFFAOYSA-N 432.531 6.085 30 10 IKEE CC(C)c1ccc(/C=C/C(=O)Nc2ccc(Cl)c(NC(=O)c3cccc(C#N)c3)c2)cc1 1860454971 CTGKVIQTMBRACH-MDWZMJQESA-N 443.934 6.239 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCSC)NC(=O)c1ccc(C(C)(C)C)cc1 1861814384 VPZWBNHATLJRRR-QHCPKHFHSA-N 448.717 6.093 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccccc1Cl 1862381249 VTGNLIRSCNXDNB-ZMZPIMSZSA-N 438.738 6.024 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 1862396081 DCNKVYDTFGUNSK-DEOSSOPVSA-N 449.591 5.551 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1C 1862402627 CVNUKWIYKIEEDY-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862441539 KNTWXPGWCNUMLZ-QHCPKHFHSA-N 431.919 5.735 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(C)c1 1862442223 HIRBSFOTBUQWLD-JTHBVZDNSA-N 439.983 6.586 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 1862478171 AGUIITLQQGPVGZ-ZWDAVXSWSA-N 434.492 5.060 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccc(F)cc2)c1 1862490244 QNZKXJUIRDVWFE-HSZRJFAPSA-N 433.454 5.360 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccc(O)cc2)c1 1862490395 UPXKWLZYDPSRCS-UUOWRZLLSA-N 427.500 5.349 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccc(C(C)C)cc2)c1 1862491497 VCBUBARVPGCWRF-VWLOTQADSA-N 449.591 5.820 30 10 IKEE CN1CCCc2cc([C@H]3C(C(=O)c4ccc(C(C)(C)C)cc4)=C(O)C(=O)N3C3CC3)ccc21 1862622333 DAHYATUEYPSCRD-DEOSSOPVSA-N 444.575 5.107 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccccc1Cl 1862660609 KSIBMIUWCBPSIP-QFIPXVFZSA-N 425.956 6.088 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCc2ccccc2)cc1 1862674242 UDVVOGLIAKGJOI-RUZDIDTESA-N 443.518 5.599 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc2cc[nH]c2c1)c1ccc2ccccc2c1 1862715650 XDDTUKLONKHKOO-RUZDIDTESA-N 436.511 5.842 30 10 IKEE COc1cc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C2CCCC2)ccc1O 1862718262 WYPIADJMYPOKOR-DEOSSOPVSA-N 443.499 5.075 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(Br)cc2)C(=O)N(CCC)C1=O 1863555187 NRLUFWDFORGHOD-UHFFFAOYSA-N 449.433 5.669 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(OC(C)C)cc2)C(=O)N([C@@H](C)CC)C1=O 1863697514 NHTFJOWWSQTCJG-NRFANRHFSA-N 442.644 6.083 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC(=O)c3cc(C(C)(C)C)ccc32)nc(C(C)(C)C)n1 1869196512 YMDWGUOSXMUMDJ-UHFFFAOYSA-N 432.612 5.975 30 10 IKEE CCCCCCCCCCn1cc(OCc2ccc(C(=O)OC(C)C)cc2)c(=O)cc1C 1870089650 WSLGRQFFTCHMPA-UHFFFAOYSA-N 441.612 6.442 30 10 IKEE CCCCCCCCNC(=O)c1cn(-c2ccc(Cc3ccccc3)cc2)c(=O)cc1O 1870128295 OMYCIBIMTHOJGA-UHFFFAOYSA-N 432.564 5.224 30 10 IKEE CCCCCCCCn1cc(OCCC)c(=O)cc1CSc1nc2ccccc2s1 1870180329 ZYZGOMOIAZSREF-UHFFFAOYSA-N 444.666 6.900 30 10 IKEE C=CCn1cc(OCCOc2cccc3ccccc23)c(=O)cc1CSc1ccccn1 1870310857 LGEDKCZTUABSCN-UHFFFAOYSA-N 444.556 5.333 30 10 IKEE C=CCOc1cn(Cc2ccccc2)c(CNc2ccc(Cc3ccccc3)cc2)cc1=O 1870810726 PBCHGSQNHISIJV-UHFFFAOYSA-N 436.555 5.664 30 10 IKEE C=CCOc1cn(CCCCCO)c(CNc2ccc(-c3ccccc3C)cc2)cc1=O 1870812882 MXLGHHHYQQTGLJ-UHFFFAOYSA-N 432.564 5.163 30 10 IKEE C=CCn1cc(OCC(=O)Nc2ccccc2C)c(=O)cc1CNc1ccc(C(C)C)cc1 1871156340 YLTYEADLZDNJIS-UHFFFAOYSA-N 445.563 5.096 30 10 IKEE Cc1cccc(CN2COc3cc(C)c4c(c3C2)O/C(=C\c2ccccc2Cl)C4=O)c1 1871348045 NGYDZEPACNJAAR-FMCGGJTJSA-N 431.919 5.925 30 10 IKEE CCCCCCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1cccc(OC)c1)C3=O 1871348383 BYVWJTOGNXSMKU-JLPGSUDCSA-N 435.564 6.132 30 10 IKEE COc1ccccc1/C=C1\Oc2c(ccc3c2CN(CCCCc2ccccc2)CO3)C1=O 1871354497 SCDGTRGQXRHABO-ONUIUJJFSA-N 441.527 5.486 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3cc(OC(=O)c4c(F)cccc4Cl)ccc3C2=O)cc1 1871375395 JLXAKMJNBMHNTC-UUYOSTAYSA-N 436.866 6.438 30 10 IKEE Cc1c(OC(=O)c2c(F)cccc2Cl)ccc2c1O/C(=C\c1cccc(Cl)c1)C2=O 1871375637 WBDVQOYGUVFIJP-ODLFYWEKSA-N 443.257 6.276 30 10 IKEE Cc1cc(OC(=O)c2ccc(C(F)(F)F)cc2)cc2c1C(=O)/C(=C/c1ccccc1F)O2 1871375878 IAYFCKMIFVJOLJ-JAIQZWGSSA-N 442.364 5.988 30 10 IKEE CCCOc1ccccc1/C=C/C(=O)Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O 1871376047 QMWDAUHDCONZHR-QIIGYZROSA-N 444.458 5.850 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc3C2=O)cc1 1871384024 UNZYXIGFDHFXPR-QFEZKATASA-N 428.484 5.865 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc(OC(=O)CCOc3ccccc3)c2C)C1=O 1871384212 SRTWYZKETJIRIP-ULJHMMPZSA-N 444.483 5.384 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2OC)C3=O)c1 1871387949 QULTZFOIGGUKMN-IWIPYMOSSA-N 430.456 5.319 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871409077 WUDXOHSLCQHYTB-NQRZERFFSA-N 447.918 5.979 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccc(F)cc1)C2=O 1871431419 SBXFNEPLQMQARZ-PVFDWLMNSA-N 445.490 5.773 30 10 IKEE Cc1ccc(NC(=O)CCOc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871431993 XOTOCRBSBCBWGL-UCQKPKSFSA-N 433.891 5.672 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccc(CC)cc4)c3C)C2=O)cc1 1871454628 UTOYYMOIAKIVDF-XYGWBWBKSA-N 441.527 5.754 30 10 IKEE Cc1cc(OCC(=O)Nc2ccccc2F)cc2c1C(=O)/C(=C/c1cccc(Cl)c1)O2 1871460007 PRRBWGDKKCLGHN-NHDPSOOVSA-N 437.854 5.421 30 10 IKEE CCCCCCCCCCN=c1nc(N2CCCCCC2)[nH]c(=Nc2cccc(C)c2)[nH]1 1871651158 RROGHDQOPOMPHD-UHFFFAOYSA-N 438.664 5.700 30 10 IKEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccccc1CC)S(=O)(=O)c1c(C)cc(C)cc1C 1872480317 XZNNMGCOVOHGJO-QHCPKHFHSA-N 442.625 5.158 30 10 IKEE N#C[C@H](C(=O)Cc1ccccc1Cl)c1nc(-c2ccc(Br)cc2)cs1 1872765472 PODPEMFOKMTTNI-OAHLLOKOSA-N 431.742 5.645 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@@H](C#N)C(=O)c3ccc(C(C)(C)C)cc3)n2)c1 1872781487 VFFPYNHOBRPBPW-NRFANRHFSA-N 448.588 6.395 30 10 IKEE C=CCc1ccccc1OCc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 1872859329 LKOZMWXPXUYMFT-UHFFFAOYSA-N 426.560 6.237 30 10 IKEE CCCc1nnc(SCc2ccccc2)n1/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1873501369 SISYVDLVOSCBFM-BUVRLJJBSA-N 447.520 5.573 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(N3CCCC3)cc2)cc2c(NCCCCCC)ncnc21 1873639014 RAKUNYIUATVIJQ-UHFFFAOYSA-N 446.599 5.462 30 10 IKEE N#Cc1ccccc1NC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 1873868946 YDCAHCQNDHMPPY-DEOSSOPVSA-N 427.548 5.382 30 10 IKEE CCSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1ccccc1OC 1874197171 WDUKKYUSPSHHOJ-NLRVBDNBSA-N 446.576 5.446 30 10 IKEE CSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1ccc(N(C)C)cc1 1874201845 WXDXASDGXIJJIP-MFKUBSTISA-N 437.613 5.133 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874264972 ULYKOWYEZIZYJW-MFKUBSTISA-N 443.016 6.192 30 10 IKEE CSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccc(Cl)c(Cl)c1 1874265749 MEDCWFHAVJZYHY-ZVBGSRNCSA-N 427.744 5.421 30 10 IKEE CCCSc1nnc(COc2cccc(C)c2C)n1/N=C/c1ccccc1OC(C)C 1874324250 GYYMHTDBSQIYKR-MFKUBSTISA-N 438.597 5.645 30 10 IKEE Clc1ccc(CSc2nnc(COCc3ccccc3)n2/N=C/c2cccnc2)cc1 1874354440 JZUUFOGVSFTPER-VULFUBBASA-N 449.967 5.218 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(COc3ccccc3)nnc2SCc2ccccc2)c1 1874384257 GZYJORRQJXVEEY-MFKUBSTISA-N 430.533 5.046 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2ccccc2)n1/N=C/c1ccc(O)cc1 1874398839 QIXCCKWGTMJILY-YZSQISJMSA-N 428.561 5.252 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2cccc(C)c2)nnc1-c1ccco1 1874466278 VZHLJFNTMJBAFN-PCLIKHOPSA-N 430.533 5.586 30 10 IKEE CC(C)c1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(Cl)cc1Cl 1874515972 ZBDYWGXOJCRTFJ-AUEPDCJTSA-N 439.799 6.536 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2ccccc2Cl)c(C)c1 1874516621 ATELWCQFAVVPGS-WYMPLXKRSA-N 441.988 5.285 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c1OCc1ccc(C)cc1 1874575286 FQADZDZLTLRSAV-FMIVXFBMSA-N 437.879 6.040 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2c(OCC(N)=O)ccc3ccccc23)cc1 1874584614 XGCMBSGKHRUHJI-WUKNDPDISA-N 445.559 5.949 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2c(OCC(=O)OC)ccc3ccccc23)c(OCC)c1 1874589320 FSGAGPSZRUCJOJ-BUHFOSPRSA-N 434.488 5.085 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(OC)c1OCc1cccc(Cl)c1 1874606122 XFESSRHOJSBRCS-OUKQBFOZSA-N 448.946 6.561 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccccc3OC)cc2OC)cc1 1874611879 WSRBKUWDAHYHEA-RVDMUPIBSA-N 445.515 5.180 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1 1874613866 RIERQLHPLITKDR-NTUHNPAUSA-N 449.934 5.961 30 10 IKEE CCCOc1c(Cl)cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1OCC 1874628231 SKUDZOCOJSAHBK-XNTDXEJSSA-N 436.935 7.216 30 10 IKEE CCOc1ccc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)cc1Br 1874628435 DCWVDEUNBHWFQJ-GQCTYLIASA-N 430.125 6.059 30 10 IKEE O=C(COc1cc(F)ccc1F)Oc1cccc(/C=C/C(=O)c2ccccc2Cl)c1 1874697180 VEPBEOXPNFAKGR-DHZHZOJOSA-N 428.818 5.499 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(F)cc3F)c2)c1 1874699652 GMPCFYDIIATOTO-JLHYYAGUSA-N 436.454 5.934 30 10 IKEE COc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c4ccccc34)c2)cc1 1874719026 WZCZOLJQAAJGKN-MHWRWJLKSA-N 438.479 5.972 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1 1875097101 VPRUREVZMWMEPA-XMHGGMMESA-N 446.546 6.763 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3c(C)ccc(C)c3C)cc2)cc1 1875103637 IMODKHHYKBYNET-SFQUDFHCSA-N 428.528 6.055 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(F)c(F)c2F)c(Cl)c1 1875118649 HQRLPRDQMNIJLF-UXBLZVDNSA-N 446.808 5.881 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3Cl)c(Cl)c2)cc1 1875129506 GCFJZLXDBTZNFK-NTUHNPAUSA-N 441.310 6.507 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])cc1 1875135648 AUJIBKIOPUSONV-RIYZIHGNSA-N 445.471 5.346 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3OC)cc2)cc1 1875143743 OLNOITVIVRRRFF-OQLLNIDSSA-N 430.500 5.447 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(Cl)c1OC(=O)[C@H]1CCCO1 1875153550 MGPKMMKRBWWIPU-VDZCTEQFSA-N 436.891 5.482 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc(Cl)c1OC(=O)C1CC1 1875165201 QEHJJNNXBRGPFA-VGOFMYFVSA-N 448.902 6.352 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OC(=O)c3cccc(F)c3)c([N+](=O)[O-])c2)c1C 1875168932 ARHWBVAWEARJLH-CSKARUKUSA-N 447.462 6.083 30 10 IKEE Cc1cncc(C(=O)Oc2ccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)cc2[N+](=O)[O-])c1 1875169667 WVZRNALMOASVHN-SOFGYWHQSA-N 444.487 5.647 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)c3ccccc3)cc2)c(OCC)c1 1875177438 KYFXLDXXTJZXSW-ITICKHJUSA-N 444.527 6.089 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1OC 1875191078 BUWFCTXOVRZULH-RMKNXTFCSA-N 441.738 6.647 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]12CCCC[C@H]1N(C(=O)OC(C)(C)C)CC2 1922059294 FRTJBJUNERUZIQ-DXBVXKBHSA-N 442.644 5.697 30 10 IKEE CC(C)(C)OC(=O)N1CC(C)(C)[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C1 1996504452 IIOBEJNSDMYHCI-HSZRJFAPSA-N 449.979 5.621 30 10 IKEE C=C(CC)C[C@@H](NCCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997460114 WCWQOWNYIAABJP-BVAGGSTKSA-N 430.633 5.555 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCC23CN(C(=O)OC(C)(C)C)C3)c1 2009508472 ANYNKTNKYUCNLQ-DEOSSOPVSA-N 427.545 5.030 30 10 IKEE CCCCCCC[C@H](C)NC[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1 2025244952 KCVQHCYTSFNCBT-UPVQGACJSA-N 431.665 5.447 30 10 IKEE C=CCCCCCCCCCC(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2026313248 MNSBHZLZLBAYKF-QHCPKHFHSA-N 431.617 6.363 30 10 IKEE C=C([C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCC)C(C)(C)C 2035474942 FUJXJZPOZRMXEN-HSZRJFAPSA-N 443.676 5.516 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(C)sc(C)c1Br 2041201430 UFMDJPOOMNQEKJ-RHSMWYFYSA-N 429.424 5.085 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 2041560221 QCTQICGGWHTUMD-CLOONOSVSA-N 449.636 5.876 30 10 IKEE CC(=O)N(c1nc(C=CC(=O)c2ccc(Cl)cc2Cl)cs1)c1cccc(C)c1C 2042448530 YZVMJSYPKWAGOX-UHFFFAOYSA-N 445.371 6.647 30 10 IKEE N#C[C@]1([C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCCCO1 2071358459 SUOJTSAOLMBCMJ-SVBPBHIXSA-N 429.516 5.341 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@]2(C)CCCN2C(=O)OC(C)(C)C)c1 2076987103 SDTPISOJQYWJIR-DVECYGJZSA-N 445.560 5.118 30 10 IKEE Cc1ccc([C@@H](n2nc(C3CCC3)c(C#N)c2I)C(C)(C)C)c(C)c1 2079038304 YEXMVSPHRLPGMZ-LJQANCHMSA-N 447.364 5.879 30 10 IKEE COc1ccc([C@@H](C(C)C)n2nc(C3CCC3)c(C#N)c2I)c(C)c1 2079882573 YJHIBBINPLRXGU-LJQANCHMSA-N 449.336 5.189 30 10 IKEE CC[C@H](c1ccc(C(F)(F)F)cc1)n1nc(C(F)(F)F)c(C#N)c1Br 2079907278 FLAXXCSAEBICNV-LLVKDONJSA-N 426.158 5.554 30 10 IKEE COc1ccc([C@@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C2(C)CC2)cc1C 2079984817 LLWHCZGOKXAGRZ-GOSISDBHSA-N 432.362 5.212 30 10 IKEE CCCOc1ccc([C@@H](CC)n2nc(C3(C)CC3)c(C#N)c2I)cc1 2080075082 OHNXDQBKAHTARD-QGZVFWFLSA-N 449.336 5.199 30 10 IKEE CC(C)c1cc(C(F)(F)F)ccc1-c1c(C(F)(F)F)nn2c(Cl)c(C#N)cnc12 2081472045 JBJLPDWWOMSDEQ-UHFFFAOYSA-N 432.755 6.082 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)NCCC 2084688556 CIQKTOHPQKCMSK-GPXOXTDOSA-N 444.660 5.991 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)c(Br)c1F)NC 2110506908 NWDTUBYUVNFPTA-GJZGRUSLSA-N 449.792 5.232 30 10 IKEE C=CCC1([C@@H](NCC)c2cccc(Br)c2Cl)CN(C(=O)OC(C)(C)C)C1 2136583369 FHFOQLWBRHZYHP-KRWDZBQOSA-N 443.813 5.566 30 10 IKEE CC(C)(C)OC(=O)NC(C)(C)c1ccc(Nc2cccc(Br)c2C#N)cc1 2162297676 UECVGLPDBGZXEH-UHFFFAOYSA-N 430.346 5.824 30 10 IKEE C=CCC1(Nc2c(Br)cccc2[N+](=O)[O-])CCN(C(=O)OC(C)(C)C)CC1 2162327562 JNTOXKZOVMCDNU-UHFFFAOYSA-N 440.338 5.115 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(Nc3ccc(Br)cc3C#N)CCCCC[C@H]12 2162340746 CDXMKARSZPPVSJ-GHTZIAJQSA-N 434.378 5.445 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@]21CNc1cc(Br)cc(F)c1C#N 2163688815 WWXDEGCLFTUIID-XCLFUZPHSA-N 438.341 5.051 30 10 IKEE CC(C)N(C[C@H]1CCCN(c2ccc(C#N)cc2Br)C1)C(=O)OC(C)(C)C 2174815823 XOQNJSULVNHIIU-KRWDZBQOSA-N 436.394 5.183 30 10 IKEE CCCCCC#CC[C@@H](N)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2203807445 NCSGDNUPMUYRAQ-WOJBJXKFSA-N 437.422 5.186 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)cc1Cl 2230371870 QUTNOHJWEJFMEN-ZWKOTPCHSA-N 443.813 5.450 30 10 IKEE CCCC#CC[C@@H](NCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237404248 DKDNMXDVRORTQK-WOJBJXKFSA-N 437.422 5.057 30 10 IKEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 2247981426 JXRQYIRRUNXRSH-YADARESESA-N 435.609 5.341 30 10 IKEE C=CCCC1([C@H](N)c2c(C)sc(C)c2Br)CN(C(=O)OC(C)(C)C)C1 2254995600 BZFKYPKWUZGPLS-MRXNPFEDSA-N 429.424 5.331 30 10 IKEE C=CCCC1([C@H](NCC)c2cscc2Br)CN(C(=O)OC(C)(C)C)C1 2255004166 QINGQERPWBLKFL-MRXNPFEDSA-N 429.424 5.365 30 10 IKEE CC[C@H](C)N(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(F)cc1Cl 2258084496 ADYFSXWSKXJVHO-INIZCTEOSA-N 445.771 5.219 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](Nc2cc(Br)ccc2C#N)C[C@H]2CCCC[C@H]21 2279522041 MODLVXAHSYCWEG-LSBZLQRGSA-N 434.378 5.301 30 10 IKEE C=C(CC)C[C@H](NCCC)[C@](C)(O)c1cc(Br)c(Br)s1 2281291401 IDKMPCAUALSMJK-WFASDCNBSA-N 425.230 5.205 30 10 IKEE C=CC[C@]1(COc2cc(F)c(Br)cc2N)CCCCN1C(=O)OC(C)(C)C 2287838237 ATHOXGCYGJUTFH-HXUWFJFHSA-N 443.357 5.285 30 10 IKEE C=C(C)CCCC[C@@](C)(OCCN)c1cc(Br)c(Br)s1 2292794482 XPSYIDFECMUCKV-OAHLLOKOSA-N 425.230 5.600 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H](C[C@H](C)CC)NC(=O)OC(C)(C)C 2296217371 UAQKKVDLFPOEFB-AHRSYUTCSA-N 437.422 5.108 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(=C(O)c3ccc(Cl)cc3)C(=O)C(=O)N2Cc2ccco2)cc1 2296226444 QCSDCGJXIZDHRH-QFIPXVFZSA-N 449.934 5.852 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)CCN(CCC)C(=O)OC(C)(C)C 2296282270 UUIHNTAXINPIQF-FQEVSTJZSA-N 437.422 5.206 30 10 IKEE COc1ccc(OC)c(C=C(C(=O)c2ccc(OC(C)C)cc2)c2nc3ccccc3o2)c1 2296696670 JPSDLUAOCROINT-UHFFFAOYSA-N 443.499 6.056 30 10 IKEE Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 2296932886 TUGQIINDJIIWLG-NRFANRHFSA-N 438.310 5.928 30 10 IKEE O=C1C(=O)N(c2ccccc2)[C@@H](c2ccc(Br)cc2)C1=C(O)c1ccccc1 2297745628 SRZSCRJSEZOMRE-FQEVSTJZSA-N 434.289 5.075 30 10 IKEE CC1CCC([C@@H]2CSC(=NCCCN(Cc3ccccc3)Cc3ccccc3)N2)CC1 2306829067 TZTVGYTVIXBQNW-BOPKNSRXSA-N 435.681 5.966 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCc4ccc(Br)cc4)ccc3C2=O)cc1 2314437339 JYQKWFAGZARHFE-UHFFFAOYSA-N 435.317 6.207 30 10 IKEE CC(C)Oc1c(Cl)cc(C=Nn2c(S)nnc2Cc2cccs2)cc1Cl 2318415756 WBUKLEABRISNCJ-UHFFFAOYSA-N 427.382 5.195 30 10 IKEE CCOc1c(C=Nn2c(C)nnc2SCc2cccc3ccccc23)cccc1OC 2318571098 CCSVXWGBXWCOKP-UHFFFAOYSA-N 432.549 5.322 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2cccc3ccccc23)nnc1C1CC1 2320868358 FCQCPOIMJKCIHD-UHFFFAOYSA-N 442.588 6.272 30 10 IKEE C=C(C)CSc1nnc(CC)n1N=Cc1ccc(OCc2ccccc2)c(OCC)c1 2321004293 JLROAXQBFHXYHG-UHFFFAOYSA-N 436.581 5.369 30 10 IKEE CSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1N=Cc1cccc(C)c1 2321392303 PZEXIUVDFZLJNP-UHFFFAOYSA-N 428.989 5.472 30 10 IKEE Cc1cc(OCc2cccc(Cl)c2)cc2c1C(=O)C(=Cc1c(F)cccc1Cl)O2 2321766691 WYXPONSPUQVJJL-UHFFFAOYSA-N 429.274 6.636 30 10 IKEE COc1cccc(C=Nn2c(S)nnc2C2CC2)c1OCc1c(Cl)cccc1Cl 2321884484 OKVXDIPASJPVLE-UHFFFAOYSA-N 449.363 5.221 30 10 IKEE Sc1nnc([C@@H]2CCCO2)n1N=Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1 2321935042 VADAALRDBZCXNX-SFHVURJKSA-N 449.363 5.186 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(S)nnc1CCCOc1c(C)cccc1C 2322214735 FHXXSRQHGNOPTD-UHFFFAOYSA-N 446.576 5.239 30 10 IKEE CC[C@@H](C)N1COc2c(cc3c(c2C)OC(=Cc2ccccc2Br)C3=O)C1 2322371079 RSQXZBWTTZSGPB-CYBMUJFWSA-N 428.326 5.324 30 10 IKEE COc1cccc(C=CC(=O)c2ccccc2Cl)c1OCc1c(Cl)cccc1Cl 2322437157 XAZOJZBQPVPHSD-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1cccc2ccccc12)c1cccc(Cl)c1 2322527769 ISFVHFUOGSKMEE-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O)c1cc2cc(Cl)ccc2o1 2322845546 BOZRMBJPOIQUDF-UHFFFAOYSA-N 434.806 6.061 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2Cl)cc1OCc1nc(O)c2ccccc2n1 2323087117 ISVXDQXTQCIFEQ-UHFFFAOYSA-N 446.890 5.473 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1OCc1ccccc1Cl 2323177908 IOTWDSNJEICVLD-UHFFFAOYSA-N 436.891 5.595 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2C)C1=O 2323280010 YSROSLHHCSQBGI-UHFFFAOYSA-N 445.427 5.056 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(Cl)c1OCCc1ccccc1 2323387958 KVQGMHOODWRFQJ-UHFFFAOYSA-N 442.942 7.019 30 10 IKEE O=C(Cc1ccc(Cl)c(Cl)c1)Oc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O 2323417307 VXOFRACJRBLLSK-UHFFFAOYSA-N 443.257 5.897 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 2323647648 FAGKQOIWYIIFCC-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2Cl)c1 2323790636 ZXBKMFLUUYCWJX-UHFFFAOYSA-N 440.326 6.215 30 10 IKEE CCOc1cc(OCC)c([N+](=O)[O-])cc1C=NNc1nc(-c2ccc(Cl)cc2)cs1 2323840679 KGZKDYSCTLBDQL-UHFFFAOYSA-N 446.916 5.615 30 10 IKEE CCOc1cc(C=C2CN(Cc3ccccc3)CCC2=O)cc(Br)c1OCC 2323844437 NGWQOSXUFZQPCR-UHFFFAOYSA-N 444.369 5.105 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2sccc2C)C3=O)c1 2323858250 XJUWFJRWNPOXCZ-UHFFFAOYSA-N 432.497 5.765 30 10 IKEE Cc1cc(O)c(CN2CCCC[C@@H]2C)c2c1C(=O)C(=Cc1cccc(Br)c1)O2 2324010266 RUDILPIDHVNUCT-HNNXBMFYSA-N 442.353 5.454 30 10 IKEE CCCN(CCC)Cc1c(O)cc(C)c2c1OC(=Cc1ccccc1Br)C2=O 2324097227 BYKIDPFTVBORQL-UHFFFAOYSA-N 444.369 5.701 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(F)c2)ccc1OCC(=O)Nc1ccccc1 2324120501 GXQPXZUQWWGYRL-UHFFFAOYSA-N 449.478 5.147 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OCc1cccc(F)c1 2324154351 OJQQSZCIWDTVCL-UHFFFAOYSA-N 438.926 7.086 30 10 IKEE CCCOc1ccc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)cc1Br 2324325250 MKDUVOUCQITCSF-UHFFFAOYSA-N 444.152 6.449 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(O[C@@H](C)C(=O)Nc4cccc(C)c4C)c3C)C2=O)o1 2324506122 UQFGIKCFFCUIDT-SFHVURJKSA-N 431.488 5.535 30 10 IKEE Cc1ccc(OCCOc2ccc3c(c2)OC(=Cc2ccccc2OC(F)F)C3=O)cc1 2324538463 PLUGAWVSJFNWSU-UHFFFAOYSA-N 438.426 5.670 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2ccc(OCc3ccc(C)cc3)cc2)cc1Cl 2324589127 PVGLTSIKQRXMKL-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@@H](C#N)C(=O)C=Cc2ccc3c(c2)OCCO3)n1 2324725676 FIUUUTBBFFDJJE-IBGZPJMESA-N 446.528 5.096 30 10 IKEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1cn(C)c2ccccc12 2325631409 GVDFJMVTHAJSHX-UHFFFAOYSA-N 430.364 5.560 30 10 IKEE COC(=O)c1ccc(C=C2Oc3cc(OCCc4ccc(OC)cc4)cc(C)c3C2=O)cc1 2325631805 IOWKCZRIEMZAJK-UHFFFAOYSA-N 444.483 5.028 30 10 IKEE O=C(COc1cc(F)ccc1F)Oc1cccc(C=CC(=O)c2ccc(Cl)cc2)c1 2325730848 DHMYKUKGHPVJEA-UHFFFAOYSA-N 428.818 5.499 30 10 IKEE CCC(=O)Oc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)c(Br)cc1OC 2325755471 SSXQQPLIIINTKO-UHFFFAOYSA-N 447.325 5.295 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)Cc2cc(C)ccc2C)c1 2325763865 JFVMQASGEGRENL-UHFFFAOYSA-N 448.946 6.318 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(OC)cc2)n1N=Cc1sccc1C 2326252324 JTJDMEPMYJYBSZ-UHFFFAOYSA-N 442.610 5.219 30 10 IKEE CCCOc1ccccc1C=Nn1c(COc2ccc(OCC)cc2)nnc1SCC 2326660492 VHCVRNYCMMDWNT-UHFFFAOYSA-N 440.569 5.039 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc(OC(C)C)cc1 2326703385 JAOOOXHBBGMDGC-UHFFFAOYSA-N 449.407 6.109 30 10 IKEE Cc1ccccc1CSc1nnc(COc2ccccc2Cl)n1N=Cc1ccco1 2327617293 CPRHSEUFAPCDOA-UHFFFAOYSA-N 438.940 5.586 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1cccc2ccccc12 2328056582 NRCVRNXTCKDBSV-UHFFFAOYSA-N 447.007 6.420 30 10 IKEE CCCSc1nnc(CCc2cccc(OC)c2)n1N=Cc1cccc2ccccc12 2328654048 ASKDZAJCCJLABQ-UHFFFAOYSA-N 430.577 5.609 30 10 IKEE COc1cc2[nH]c3c(NN=Cc4ccc(-c5ccccc5Cl)o4)ncnc3c2cc1OC 2328801445 VQNJBGHXGOPLJK-UHFFFAOYSA-N 447.882 5.488 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccc(C)c(C)c3)n2N=Cc2cccnc2)c1 2329427871 GNFDRSJDRWRVNU-UHFFFAOYSA-N 441.604 5.672 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccncc1 2329509866 DRPQKRSXYDVDLZ-UHFFFAOYSA-N 447.995 5.595 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(CC(C)(C)C)n2N=Cc2cccc(C)c2)cc1 2330821003 SNAJRMMLLMPZHP-UHFFFAOYSA-N 449.624 5.351 30 10 IKEE Cc1cccc(C)c1NC(=O)CSc1nnc(CC(C)(C)C)n1N=Cc1ccccc1 2330835209 GNLXSQHPHYXVAN-UHFFFAOYSA-N 435.597 5.097 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(C3CCCC3)n2N=Cc2ccc(F)cc2)o1 2331065942 ZKJVOWLNEHDNNN-UHFFFAOYSA-N 442.516 5.019 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)cc(Br)c1OC(=O)CC 2331079548 XFNXYNSGPWKVOA-UHFFFAOYSA-N 433.298 5.068 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(C(F)(F)F)n1N=Cc1ccc(Cl)cc1 2331163136 AERZJBPOIBVOAL-UHFFFAOYSA-N 449.260 5.917 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1ccc(C=CC(=O)c2ccccc2)cc1Cl 2331165649 LBPHNVVISULWFT-UHFFFAOYSA-N 426.899 6.537 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c(Cl)c2)c1 2331320132 JXBWLKPOJOVASB-UHFFFAOYSA-N 449.890 6.289 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2OC)cc(OC)c1OC(=O)c1ccncc1 2331376128 ITOKNISLBOEQPQ-UHFFFAOYSA-N 443.499 5.251 30 10 IKEE CCSc1nnc(C(C)(C)C)n1N=Cc1ccccc1OCc1ccccc1Cl 2331389288 MCKHUOJGXYHCKW-UHFFFAOYSA-N 428.989 5.802 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)CC1CCCCC1 2331445053 ASIAIBQZFGQUKJ-UHFFFAOYSA-N 436.504 5.586 30 10 IKEE CC(C)Cc1nnc(SCc2cccc(Cl)c2)n1N=Cc1cn(C)c2ccccc12 2331470128 LEZYNEIZJZNUAM-UHFFFAOYSA-N 438.000 5.796 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc3ccccc23)cc(OC)c1OC(=O)c1ccccn1 2331484042 FYWWDSLKVIRBNI-UHFFFAOYSA-N 449.506 6.087 30 10 IKEE COc1cccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C2CCC2)c1 2331546289 HQPUWPMFOMJWHK-UHFFFAOYSA-N 430.936 5.521 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OC(=O)c2sccc2C)cc1 2331741468 GKZFJRFQHAUPPH-UHFFFAOYSA-N 426.921 6.142 30 10 IKEE COc1cc(COc2cc(NC(=O)OC(C)(C)C)ccc2Br)ccc1C#N 2370449853 KQOSLNCXPJEKHC-UHFFFAOYSA-N 433.302 5.255 30 10 IKEE O=C1/C(=C/c2ccc(-c3ccccc3)cc2)Oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc21 2235172 LVNKVYWJDROHST-YUMHPJSZSA-N 449.462 6.457 30 10 IKEE CCOc1ccc(/C=C2/S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1 2931268 ZPQSHBUBRJJJCC-UINIZAEWSA-N 428.557 5.758 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)nn1[C@H]2c1ccccc1F 17098976 FOIVVQHMRVKTRB-NRFANRHFSA-N 434.540 5.368 30 10 IKEE CCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1OC 20882061 KJXWZCAMVQCZOM-MRDQGFSESA-N 446.572 6.135 30 10 IKEE CCc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2Cl)cc1 21253948 WVLXGWIRERQJOY-WINIVTDRSA-N 428.963 6.882 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(C(C)C)cc1 33762041 KKZWXOAHQIMZTA-QHCPKHFHSA-N 433.504 5.171 30 10 IKEE N#Cc1c(NC(=O)c2ccc(C(F)(F)F)cc2)sc2c1CCN(Cc1ccccc1)C2 36628614 FVUICCLNHUSWSY-UHFFFAOYSA-N 441.478 5.449 30 10 IKEE COC(=O)c1ccc2c(c1)C(=O)/C(=C/c1ccc(-c3ccc(Br)cc3)o1)O2 39842609 MVCOCJYBJLRWRL-ODLFYWEKSA-N 425.234 5.112 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccc2ccccc12 40097646 NDDDWLAOMXKDQH-XMMPIXPASA-N 425.484 5.964 30 10 IKEE Cc1nc(/N=C2\NN=C(c3ccccc3)CS2)c2c(-c3ccc(F)cc3)c(C)sc2n1 62041391 GAYNSGAVFZQPLN-UHFFFAOYSA-N 447.564 5.842 30 10 IKEE CCN(C(=O)/C=C/c1ccc(OCC#N)c(OC)c1)[C@H](C)c1cccc(C(F)(F)F)c1 97174729 UUZNZZUHYZFWCO-PXUDHTSWSA-N 432.442 5.239 30 10 IKEE CCCCCCC[C@@](O)(c1ccc(OC)cc1)[C@H](CN1CCOCC1)c1ccccc1 98048926 BONCPNABCFPOTE-KAYWLYCHSA-N 425.613 5.359 30 10 IKEE CCCCCCCOc1cccc(NC(=O)CNc2cccc(C(=O)N[C@@H](C)CC)c2)c1 100099680 POVJEBUBRUQYHB-FQEVSTJZSA-N 439.600 5.615 30 10 IKEE CCCCCCCCCCCCN(C)c1ccc(I)c(OC)c1 100310820 QRRBIMKDGXOYKN-UHFFFAOYSA-N 431.402 6.657 30 10 IKEE Cc1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccccc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1Cl 102623800 BINWNJFDVAGUQV-SADKCHQCSA-N 448.862 5.183 30 10 IKEE CCCCOc1ccc(C(=O)/C(=C\c2ccccc2Cl)c2nc3ccccc3o2)cc1 102987152 GRRBNEFLAINRPX-HEHNFIMWSA-N 431.919 7.084 30 10 IKEE O=C1/C(=C/Nc2ccc(Br)cc2)Nc2ccc(Br)c(Cl)c21 103775633 RPJMHQHFPUUBIR-GHXNOFRVSA-N 428.511 5.427 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OCC(=O)Nc1ccccc1 165442159 UKHUUSZGTYWTLM-FYWRMAATSA-N 431.488 5.008 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(OC(C)C)c2)c1 169981336 AYBHYWRTJYEQAQ-XMMPIXPASA-N 449.547 5.393 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@H]2c2ccccn2)cc1 169996897 CIVYPJFVRZBMGR-QFIPXVFZSA-N 448.906 5.225 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2ccccc2)cc1C 170052254 XEGYMEOOXXYURM-HSZRJFAPSA-N 431.919 6.048 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(Cl)cc1 170059963 KUSXCMIDCATXDU-NRFANRHFSA-N 443.902 5.399 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccccc2C)c(C)c1 170087973 FLZKEGGRDWPCGT-HSZRJFAPSA-N 449.453 5.373 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1cccc(C)c1 170142175 ASLWDOGLJYJJCH-XMMPIXPASA-N 443.499 5.104 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(C)c2)cc1Cl 170143878 VVAIUHOOBJNPRH-OAQYLSRUSA-N 437.879 5.029 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccs2)c1 170153919 HQVIRWJUJOAJJM-LJQANCHMSA-N 425.893 5.193 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2cccnc2)cc1 170185908 VILLXIAWWVPXGF-RUZDIDTESA-N 438.527 5.306 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cccnc1 170194059 YYTWIANXRPKETE-QHCPKHFHSA-N 448.563 5.299 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccncc2)cc1C 170204577 SSVLYGJBAWWWRT-XMMPIXPASA-N 442.515 5.270 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccccc2C)c1 170271538 OURHSUOEGDFPNK-RUZDIDTESA-N 441.527 5.874 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccco1 170283938 BHYZDJJKJKROOC-QHCPKHFHSA-N 447.918 5.903 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2sccc2C)c1 170314400 QKAABVIMBOOSOJ-OAQYLSRUSA-N 431.513 5.083 30 10 IKEE CCN(CC)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccc(C)c2)cc1 170342810 MENCQDYYZGELOL-RUZDIDTESA-N 440.543 5.624 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cn(C)c3ccccc23)cc1 170394964 ZHSGBWXRUUPDJH-QFIPXVFZSA-N 444.512 5.031 30 10 IKEE CCCCCCCCCC[C@@H](CCCCCCCC)CO[C@H]1OC[C@@H](O)[C@H](O)[C@H]1O 207639567 UZLPXVWSLFHDJE-RXFVIIJJSA-N 430.670 5.340 30 10 IKEE O=C(/C=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(NC(=O)c2ccco2)cc1 210043754 IEHBAUKWMFELCG-BENRWUELSA-N 428.400 5.596 30 10 IKEE C=CCn1c(C(=O)Nc2ccnn2[C@@H](C)c2ccccc2)cc2oc(Br)cc21 223720881 NZXQAAUNPMDHFO-AWEZNQCLSA-N 439.313 5.241 30 10 IKEE COc1ccc(N2C(=O)C(=O)/C(=C(O)\C=C/c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 229095609 VHZOHYRWKVKIDZ-YHRMKJCWSA-N 445.902 5.531 30 10 IKEE Cc1ccccc1N=C1S/C(=C\c2ccccc2[N+](=O)[O-])C(=O)N1c1ccccc1C 252638009 XYNRMYPDJUIFHA-IBORXNHRSA-N 429.501 6.020 30 10 IKEE CCCCN1C(=O)/C(=C2\Sc3ccccc3N2CC)SC1=Nc1ccc(O)cc1 254483203 XEBCQHSAPWWVHE-CUCKYGFWSA-N 425.579 5.557 30 10 IKEE COc1ccc(OCCCOc2cccc(C=NNc3nc4ccccc4s3)c2)cc1 254758833 GQTSLHSBHNHSMB-UHFFFAOYSA-N 433.533 5.599 30 10 IKEE CC(=NOCc1ccc(C)cc1)c1cc(-c2ccc(F)cc2)n(-c2ccccc2F)c1C 254840231 YISYRLZZSUGDDM-UHFFFAOYSA-N 430.498 6.980 30 10 IKEE N#C[C@H](CNc1ccc(I)c(Br)c1)C1CCCCC1 397346187 NOGLBIQWCLVEQN-GFCCVEGCSA-N 433.131 5.186 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2cccc3ccccc23)[C@H]1c1ccc([N+](=O)[O-])o1 526609812 HYVUNZPORIZIBZ-HSZRJFAPSA-N 437.411 5.270 30 10 IKEE Cc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1cc(Cl)c(O)c(Cl)c1 526811389 JMIGAYQPKVFZJL-WNFQYIGGSA-N 427.744 5.427 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1c(C)[nH]c2ccccc12 526811826 TYVLENYMXHGJBM-YSMPRRRNSA-N 431.609 6.202 30 10 IKEE Cc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1ccccc1COc1ccccc1 526823426 VGPMRINCWFGIRF-YUMHPJSZSA-N 439.544 5.212 30 10 IKEE Fc1cccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccccc2Cl)c1 526825668 IKDAFMLBKBQJIM-YSMPRRRNSA-N 436.943 5.836 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@](C)(C#N)CCc1ccccc1 698481783 KGKMFPLJYGCVLN-QFIPXVFZSA-N 429.358 6.106 30 10 IKEE CC(C)N1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Br)c2)CC1 698496226 HEZGQYSXRLOGML-OAQYLSRUSA-N 436.394 5.347 30 10 IKEE CCCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@@H]1[C@H]1CCCCN1C(=O)OC(C)(C)C 698971029 XSJSQGKKRSINKD-IECBHUPTSA-N 435.609 5.486 30 10 IKEE C=CC[C@H](C)SCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 715731788 ASECYJFRNOOAGJ-AOMKIAJQSA-N 425.550 5.066 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C1 724090284 DMWLLVSEMCDXTC-GAJHUEQPSA-N 449.617 5.462 30 10 IKEE C=C1CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1CC/C=C(\C)CC/C=C(\C)CC[C@@H]1OC1(C)C 936069447 YOXYJGZFQYXPHZ-AEBUGLRVSA-N 442.728 8.167 30 10 IKEE in-vitro O=C1/C(=C\c2cccs2)S/C(=N/N=C/c2cc(Cl)ccc2O)N1Cc1ccco1 1615304929 LRTIVFMWJQSZIR-SFGUJILJSA-N 443.937 5.207 30 10 IKEE Cc1ccc(NC(=O)[C@@]23CC[C@@](C)(C(=NOC(=O)c4ccccc4)C2)C3(C)C)cc1Cl 1772722579 JVMIGGPDZQUZPB-LOSJGSFVSA-N 438.955 6.016 30 10 IKEE CN1C(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)SC1=Nc1cccnc1 1772731164 IYNXXYVDQKBJGB-PEODKBGFSA-N 435.936 5.548 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2)SC(=Nc2cccnc2Cl)N1c1ccccc1 1772732378 DTSDFDIKYWQMEG-LCQIMXFNSA-N 426.328 6.197 30 10 IKEE C/C(=C1\SC(=Nc2ccncc2Cl)N(C2CCCCC2)C1=O)c1ccc(Cl)cc1 1772736122 JZQIVZUELZTUPA-RDJYZGLESA-N 446.403 6.715 30 10 IKEE Cc1csc(N=C2S/C(=C\c3ccc(C(=O)O)cc3)C(=O)N2C2CCCCC2)n1 1772740147 WHUPUQBREKVCLW-RUTCVDLDSA-N 427.551 5.086 30 10 IKEE Cn1c2ccc(Br)cc2c2nnc(NN=Cc3ccc(C(C)(C)C)cc3)nc21 1772764740 CELGPJTXLWIXNZ-UHFFFAOYSA-N 437.345 5.023 30 10 IKEE Cc1ccc(-c2nn(-c3cccc(F)c3)cc2/C=N\NC(=S)Nc2ccccc2)c(C)c1 1857808878 KYMJTPWHSMQGFI-DICXZTSXSA-N 443.551 5.616 30 10 IKEE CCCCCCCCCCn1cc(OCc2c(F)cccc2Cl)c(=O)cc1C(=O)O 1857890801 FAHRZQKYBKGDGP-UHFFFAOYSA-N 437.939 6.059 30 10 IKEE N#Cc1ccccc1NC(=O)c1cc(-c2cccc3ccccc23)n(-c2cccc(Cl)c2)n1 1859391278 TUISLNYHXGYBNI-UHFFFAOYSA-N 448.913 6.470 30 10 IKEE CC(C)(C)C1CCC(OC(=O)COc2cccc(NC(=O)c3cccc(C#N)c3)c2)CC1 1860133198 NUAXXOSOZVXBMI-UHFFFAOYSA-N 434.536 5.337 30 10 IKEE CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)[C@H](C)Oc1cccc(NC(=O)c2cccc(C#N)c2)c1 1860133716 XFBGPARIQSXONC-VCWUMBODSA-N 448.563 5.582 30 10 IKEE CCCCCCCCCNC(=O)[C@@H](C)Oc1cc(C)cc2oc(=O)cc(CCCC)c12 1860273453 FJSDCMKCRHUBFF-HXUWFJFHSA-N 429.601 6.078 30 10 IKEE N#Cc1cccc(C(=O)N2CC=C(c3ccc(OC(=O)OCc4ccccc4)cc3)CC2)c1 1860685049 QHTPQYFYQHIDAY-UHFFFAOYSA-N 438.483 5.203 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)c1cccc(Cl)c1)c1ccccc1 1861043430 CZUFQRAVXDZEKS-HSZRJFAPSA-N 429.004 6.068 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(O)cc2)cc1 1862390015 SXIQMBUOFQNVDI-VWLOTQADSA-N 447.575 6.036 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2cccc(F)c2)cc1 1862391147 UDXZLBOQJOIDLO-VWLOTQADSA-N 449.566 6.469 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@H]1c1ccc(O)c(O)c1 1862392096 PLVCRZYTLQWBME-HSZRJFAPSA-N 437.536 5.209 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1C 1862406469 QOEJIKZJKWFXES-HXUWFJFHSA-N 447.453 5.257 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@@H]2c2ccccc2C)cc1 1862429977 ZJBKIHRSHXAZDB-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccccc1F)c1cccc(Cl)c1 1862443818 UDVPUKUWECELDN-JOCHJYFZSA-N 435.882 5.300 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2C2CCCCC2)c1 1862456669 XHZTWEXDFPATQF-OAQYLSRUSA-N 429.438 5.323 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccc(O)cc2)cc1 1862474492 OUNDUQWEHGSBAR-JOCHJYFZSA-N 433.891 5.133 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@@H]2c2cccc(O)c2)c1 1862490418 VKBDQKCOCIOXKR-HSZRJFAPSA-N 447.918 5.441 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCC(C)C)c1 1862495799 VHUWLPKGLZRASU-XMMPIXPASA-N 435.564 5.717 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCCC)cc1 1862498034 YNFTVEMOARYWSZ-RUZDIDTESA-N 449.591 6.251 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(C)cc1 1862523654 MHFXTEJVEFCEQP-FQEVSTJZSA-N 442.353 5.526 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cccc2ccccc12 1862549105 IIHHPTNSBIVRIL-HFJWLAOPSA-N 439.555 6.095 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccccc1Cl 1862618109 PIEPVCHBBWWORU-QFIPXVFZSA-N 439.983 6.262 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@@H]2c2ccccc2)c1 1862698304 GASGZRKKCMFVTD-JOCHJYFZSA-N 433.891 5.127 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc(Cl)cc2)c1 1862700931 RRKPYBVWJBFZHE-QPJICYPMSA-N 439.939 5.506 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1c(F)cccc1Cl 1862705223 SNKBDBBZVHKZJP-OAQYLSRUSA-N 445.918 5.646 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CCC(C)C)cc1 1862706716 CVDFVAHWURGFBK-HSZRJFAPSA-N 437.536 5.108 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862717931 PCMSEHSNUNBGEI-NYHFZMIOSA-N 430.460 5.125 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 1862750944 GHTWZIYQVAUMCE-HXUWFJFHSA-N 440.883 5.159 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccc(F)cc3Cl)C(=O)N(c3ccccc3C#N)C2=O)c1 1863036778 FPSQFGWOJMHHIK-UHFFFAOYSA-N 445.881 5.364 30 10 IKEE CCCCCCCCCCNC1=C(c2cccc3ccccc23)C(=O)N(CCCC)C1=O 1863577543 QEFUBOGOZANJQY-UHFFFAOYSA-N 434.624 6.450 30 10 IKEE CCCCCCCCNC1=C(c2ccc(C)c(C)c2)C(=O)N(CCCOC(C)C)C1=O 1863601759 NSWBHFGCLUAQPH-UHFFFAOYSA-N 428.617 5.149 30 10 IKEE COc1ccc(Cl)cc1C(=O)Nc1c(C#N)nnn1-c1cc(C(C)C)cc(C(C)C)c1 1870143238 DIYXGVNJWGXGIT-UHFFFAOYSA-N 437.931 5.300 30 10 IKEE Cc1c(Cl)cccc1-n1nnc(C#N)c1NC(=O)CCCOc1ccccc1C(C)C 1870157777 DRKBFCFPEBGXSD-UHFFFAOYSA-N 437.931 5.022 30 10 IKEE CCCCCCCCCCn1cc(OCCO)c(=O)cc1CNc1ccc(CC)cc1 1870791625 FBJXQMDLBQKWTL-UHFFFAOYSA-N 428.617 5.535 30 10 IKEE C=CCOc1cn(CCc2c[nH]c3ccccc23)c(CNc2ccc(C)c(C)c2)cc1=O 1870809098 OAQMMPIXYURGEP-UHFFFAOYSA-N 427.548 5.366 30 10 IKEE CCCCCCCCCCn1cc(OCCCC)c(=O)cc1CNc1ccc(C)c(F)c1 1871112373 AMZPUPYMHMVJJM-UHFFFAOYSA-N 444.635 7.228 30 10 IKEE C=CCn1cc(OCCCOc2ccc(C)cc2)c(=O)cc1CNc1ccc(OCC)cc1 1871216516 YXOAMASUPZKDMF-UHFFFAOYSA-N 448.563 5.201 30 10 IKEE CC(C)CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(Cl)cc1 1871254970 NVEPHKFAOWXETK-UHFFFAOYSA-N 435.955 5.611 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3c(ccc4c3CN(CCc3ccccc3)CO4)C2=O)cc1 1871344851 ZYHONHVHDBLLAV-QQXSKIMKSA-N 425.528 5.821 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc4c3CN(CCc3c[nH]c5ccccc35)CO4)C2=O)o1 1871345037 OUVZCORANZYSDH-MSXFZWOLSA-N 426.472 5.080 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O3)CN(C1CCCCCC1)CO2 1871352257 XGKHCJXBPMURCM-XKZIYDEJSA-N 434.492 5.394 30 10 IKEE O=C1/C(=C/c2c(F)cccc2Cl)Oc2cc(OC(=O)c3cccc4ccccc34)ccc21 1871378008 PUXRPJFYBAPCGM-OYKKKHCWSA-N 444.845 6.468 30 10 IKEE Cc1c(OC(=O)c2cccc3ccccc23)ccc2c1O/C(=C\c1cccc(Cl)c1)C2=O 1871378079 UHLKIPHGCBNTTD-IWIPYMOSSA-N 440.882 6.637 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)CC4CCCCC4)c3C)C2=O)c(OC)c1 1871380655 ZZBRJPSPKPRFPQ-UCQKPKSFSA-N 436.504 5.504 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)o2)C3=O)c(OCC)c1 1871387121 ZPOBWAWBBITFGJ-QRVIBDJDSA-N 448.471 5.529 30 10 IKEE Cc1cccc(OCCOc2ccc3c(c2)O/C(=C\c2cn(C)c4ccccc24)C3=O)c1 1871406806 JGMKJKRXQCIIKB-YSMPRRRNSA-N 425.484 5.561 30 10 IKEE O=C1/C(=C/C=C/c2ccccc2)Oc2cc(OC(c3ccccc3)c3ccccc3)ccc21 1871431690 SARZEFVIENYLQW-ZLUBWLQGSA-N 430.503 7.027 30 10 IKEE CCCOC(=O)[C@@H](CC)Oc1cc(C)c2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O 1871433280 LHFUUERDJIIYLD-BDBXIWDTSA-N 432.875 5.514 30 10 IKEE COc1cccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)c1 1871441858 NBWQQEOGFYDQDH-JJFYIABZSA-N 449.890 5.291 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2)C3=O)cc1 1871450072 AHXGVFNJSRRCGM-SAHIIKMKSA-N 441.527 6.142 30 10 IKEE C=CCN=c1nc(Nc2ccc(C)cc2)[nH]c(N(Cc2ccccc2)Cc2ccccc2)n1 1871475989 WYGHWMFDUHYYTM-UHFFFAOYSA-N 436.563 5.150 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(F)cc1 1871984551 RMIRHQDQXRAJMY-QHCPKHFHSA-N 446.588 5.063 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-n4cccc4)cc3)n2)c(C)c1C 1872778910 XEUUNUKSPFBTJN-OAQYLSRUSA-N 427.529 5.716 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)COc3ccc(C)c(C)c3)n2)cc1C(C)C 1872779957 VSAXEUYEKWCYLM-JOCHJYFZSA-N 448.588 6.123 30 10 IKEE Cc1sc([C@@H](C#N)C(=O)CN2CCC(Cc3ccccc3)CC2)nc1-c1ccccc1 1872795920 DVCRNEAEKSBHPN-QHCPKHFHSA-N 429.589 5.250 30 10 IKEE C=CCn1c(C(=O)Nc2cc(C)cc(C)c2)cc2c(NCc3ccccc3F)ncnc21 1873637427 ZMHSIRSIAJRTHQ-UHFFFAOYSA-N 429.499 5.238 30 10 IKEE CCCSc1nnc(CCCOc2ccc(OC)cc2)n1/N=C/c1cccc(Cl)c1 1874221612 TYWPRDABOKLBMJ-LFVJCYFKSA-N 444.988 5.336 30 10 IKEE C=CCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccccc1OC(C)C 1874270162 IFBGFURBWFRSBE-OVVQPSECSA-N 442.588 5.970 30 10 IKEE CCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1cc(OC)ccc1OC 1874271011 ZXUSZHXBQDQBMA-PCLIKHOPSA-N 432.549 5.034 30 10 IKEE C=CCSc1nnc(CCc2cccc(OC)c2)n1/N=C/c1ccc(N(CC)CC)cc1 1874310579 CUWFKHXSQPUBDQ-LGUFXXKBSA-N 449.624 5.078 30 10 IKEE Cc1ccccc1CCc1nnc(SCCc2ccccc2)n1/N=C/c1ccc(F)cc1 1874362536 KCDDKNZOPDMFSY-TURZUDJPSA-N 444.579 5.728 30 10 IKEE Cc1ccccc1CCc1nnc(SCCc2ccccc2)n1/N=C/c1cccc(F)c1 1874362743 URYQFPAXBUNYQB-TURZUDJPSA-N 444.579 5.728 30 10 IKEE CSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874377379 STWJASYZAYRHLE-WGOQTCKBSA-N 432.524 5.191 30 10 IKEE CCCOc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccccc2F)cc1 1874438857 XEOACPQJJGUOGP-WGOQTCKBSA-N 440.588 5.969 30 10 IKEE Fc1cccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2-c2ccco2)c1 1874468836 ZSPMNAJCLXKEGN-BHGWPJFGSA-N 447.322 6.159 30 10 IKEE CCCSc1nnc(C(C)(C)C)n1/N=C/c1ccc(N(CC)Cc2ccccc2)cc1 1874484945 WILLERPAWHQSSI-NLRVBDNBSA-N 435.641 5.986 30 10 IKEE Cc1ccc(CSc2nnc(C)n2/N=C/c2ccc(OCc3ccccc3C)cc2)cc1 1874529274 ADXITFSSCWTLBW-JVWAILMASA-N 442.588 5.957 30 10 IKEE Cc1ccccc1COc1ccc(/C=N/n2c(S)nnc2CCc2ccccc2)cc1 1874560532 CACKGKRDHMRIHD-YZSQISJMSA-N 428.561 5.122 30 10 IKEE CCCCCOc1ccccc1/C=N/n1c(S)nnc1COc1ccc(Cl)c(C)c1 1874567974 AXJNUWZVAXUCLO-ZVHZXABRSA-N 444.988 5.559 30 10 IKEE O=C(COc1ccccc1/C=C/C(=O)c1ccc(-c2ccccc2)cc1)Nc1ccccc1 1874570953 PXNOIBNIFWLOGT-FMQUCBEESA-N 433.507 6.267 30 10 IKEE Cc1ccc(COc2ccc(Br)cc2/C=C/C(=O)c2cc(C)ccc2C)cc1 1874580264 GADJEOPCPIFIQT-ZRDIBKRKSA-N 435.361 6.849 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccccc2F)cc1C 1874590440 AIGFQZSZTMYWAI-OUKQBFOZSA-N 433.479 5.365 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1OCc1c(Cl)cccc1Cl 1874594369 GWRJGSTWZJXZHI-WEVVVXLNSA-N 449.280 6.755 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc([N+](=O)[O-])c1OCc1ccc(F)cc1 1874617893 YWTNMIFFPVXFBK-XYOKQWHBSA-N 449.478 6.225 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)ccc1OCc1ccc(Cl)cc1 1874623801 WCPOYNINJASKOS-IZZDOVSWSA-N 440.898 6.362 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCCC1 1874663795 VIKVMGJUJLTOTK-RUZDIDTESA-N 439.644 5.642 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OC(=O)c1cc2ccccc2n1C 1874701865 BWKLOUNPSCTQSW-JLHYYAGUSA-N 439.511 5.919 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(Cl)c(Cl)c3)c2)cc1 1874702767 ISHZDRKVGKINMD-KPKJPENVSA-N 441.310 6.046 30 10 IKEE Cc1cc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)c2)ccc1[N+](=O)[O-] 1874706087 ONNIVHRNPQUENH-OVCLIPMQSA-N 443.499 6.316 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(F)cc3)c2)cc1 1874708468 DVSVYSMEEYIMGM-LICLKQGHSA-N 432.491 6.049 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OC(=O)c1cc(C)cc(C)c1 1874716153 DLWURPVDMCOROS-VQHVLOKHSA-N 428.528 6.353 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)Cc1ccccc1 1875082884 RMRFISASWWYRLT-LDADJPATSA-N 448.518 6.406 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)CCOC)c(OCC)c2)cc1 1875106455 UGNFRHGSUSEPOI-JLHYYAGUSA-N 444.955 5.919 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@@H]2CCCO2)c(Cl)c1)c1cccc(Br)c1 1875114692 QTQZVQPOKNZIHB-FNQPIQQGSA-N 435.701 5.083 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3cccc(Cl)c3)cc2[N+](=O)[O-])cc1 1875121493 RZIXFQLPDIKWFN-PKNBQFBNSA-N 435.863 5.601 30 10 IKEE O=C(Cc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1Cl 1875147413 XTJYGQINDHXDND-RMKNXTFCSA-N 434.875 5.155 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)CCc1ccccc1 1875176124 XOJMZSHXYXQOAB-JLHYYAGUSA-N 448.946 6.400 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)C3CCC3)c(OCC)c2)c(OCC)c1 1875179433 KEJZTADRWNPSDK-GXDHUFHOSA-N 438.520 5.484 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3[N+](=O)[O-])cc2)c(C)c1 1875182488 GCMVQCMSLPBQOO-JLHYYAGUSA-N 429.472 5.564 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 1922084910 DLKMXHLOOCZGRN-ILBGXUMGSA-N 436.596 5.667 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@](C#N)(N(Cc3cccs3)C(=O)OC(C)(C)C)[C@H]2C1 1944433424 WXJZWSWCWTXTLE-TXBYWVTISA-N 447.601 5.024 30 10 IKEE C=CCCCCC[C@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 1947476083 JIJKDDYOKTWOTF-RPWUZVMVSA-N 432.649 5.991 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCC[C@]12CCN(C(=O)OC(C)(C)C)C2 1950304940 IIRVWFWEWKZYFD-NTUVXCKYSA-N 435.609 5.486 30 10 IKEE C#CCCN(CC(C)C)C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1984726105 WFWSHPHOKHCKCL-AREMUKBSSA-N 446.591 5.058 30 10 IKEE CC[C@H]1CC=C(C(=O)C2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)CC1 2010739148 PERSXMDPEHLHBN-FQEVSTJZSA-N 426.601 5.252 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2010803541 PKMJDYXVWHQVRC-JLLPCOHGSA-N 428.617 5.306 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@](C)(C#N)c1ccc(CNC(=O)OC(C)(C)C)cc1 2014219264 ZUMPWIXBMKCGPK-BXKMTCNYSA-N 431.577 5.486 30 10 IKEE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2032562524 VHCGXRNYXCAYFA-BXKMTCNYSA-N 447.551 5.497 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)CC12CCCC2 2037755153 BFSVMQYPPCVKNI-RUZDIDTESA-N 441.572 5.644 30 10 IKEE CCCCCCCCC[C@H](O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2041885849 BXCDORYQNLBAPZ-RPLLCQBOSA-N 447.660 6.332 30 10 IKEE Fc1cc(Cn2nc(Br)c(Cl)c2C(F)(F)F)ccc1C(F)(F)F 2079144794 FJNHOBVTQRUHFQ-UHFFFAOYSA-N 425.529 5.524 30 10 IKEE CC(C)[C@H](c1ccc(C2CCC2)cc1)n1nc(C(F)F)c(C=NO)c1Br 2080004593 CQTIMCVDENQLCB-QGZVFWFLSA-N 426.305 5.904 30 10 IKEE Cc1cc(C(=O)N2CCC[C@H](B3OC(C)(C)C(C)(C)O3)C2)ccc1NC(=O)OC(C)(C)C 2124515377 JVOYLTMIMDBYOB-SFHVURJKSA-N 444.381 5.040 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)C1(C#N)CCN(C(C)(C)C)CC1 2158733038 CUHOQWCGICBIAH-UHFFFAOYSA-N 436.394 5.347 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@]2(Nc3ccc(C#N)c(Br)c3F)CCC[C@H]12 2162336188 URGSBCVQNRUGFN-MGPUTAFESA-N 438.341 5.194 30 10 IKEE CC(C)(C)OC(=O)NCc1ccc(CNc2cc(Br)c(C#N)cc2F)cc1 2162348046 FXTGJPXVMSNGGB-UHFFFAOYSA-N 434.309 5.097 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1CN(c1cccc(Br)c1C#N)C1CC1 2174811104 UHBAZSUNOACXRK-MRXNPFEDSA-N 434.378 5.079 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1sc(C)c(Br)c1C 2219016746 FYXAQZDKBGZHPB-GOEBONIOSA-N 429.424 5.085 30 10 IKEE N[C@H](C#Cc1ccccc1Br)c1cc(Br)c(Br)s1 2220279068 IAVUJRDAOHERCO-LLVKDONJSA-N 449.993 5.087 30 10 IKEE CCCCCCCC[C@@H](C)Nc1cc(Br)ccc1I 2231947324 XPJBLUIURHDBIP-CYBMUJFWSA-N 438.191 6.605 30 10 IKEE CCC[C@@H](CCNC(=O)OC(C)(C)C)CC[C@@H](O)C#Cc1ccccc1Br 2235738819 CVEGIMUDGXAERW-IEBWSBKVSA-N 438.406 5.273 30 10 IKEE CC[C@@H](C)N(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(F)cc1Cl 2258084497 ADYFSXWSKXJVHO-MRXNPFEDSA-N 445.771 5.219 30 10 IKEE CCN[C@]1(C#N)CCCC[C@H]1CCN(CCN(C)Cc1ccccc1)Cc1ccccc1 2260360971 DQJDJICILUYOCV-NSOVKSMOSA-N 432.656 5.073 30 10 IKEE C[C@H](N(Cc1ccccc1)C(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2267405647 BYMWPECZPCEZQY-SFHVURJKSA-N 439.380 5.202 30 10 IKEE C=CCCC1([C@@H](NCC)c2cccc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2281048921 VSBOBHPWESDSKZ-SFHVURJKSA-N 441.385 5.442 30 10 IKEE Cc1ccc(CN2C(=O)[C@](O)(CC(=O)C=Cc3ccccc3)c3cc(Cl)ccc32)cc1 2294377356 ZDYOQYKUGJUPFX-SANMLTNESA-N 431.919 5.055 30 10 IKEE CN[C@H](C#Cc1cccc(Br)c1)C[C@H](CC(C)(C)C)NC(=O)OC(C)(C)C 2296271573 FZMWRVXTYXAVRT-RTBURBONSA-N 437.422 5.108 30 10 IKEE O=C(Oc1ccc(F)cc1C(=O)C=Cc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 2296797030 DSSNUZRXMXKFCB-UHFFFAOYSA-N 425.799 5.503 30 10 IKEE COc1ccccc1N1C(=O)SC(=Cc2ccccc2OCc2ccccc2C#N)C1=O 2297511964 LJKOXWJRENCPTK-UHFFFAOYSA-N 442.496 5.387 30 10 IKEE Cc1ccc([C@H](CNc2oc(C=Cc3ccc(F)cc3)nc2C#N)N2CCC(C)CC2)o1 2297679781 MVCVAPRYAGCFNA-QFIPXVFZSA-N 434.515 5.642 30 10 IKEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1cc(Cl)ccc1O 2321169172 GQGQOVUVKVRIBS-UHFFFAOYSA-N 427.744 5.427 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O3)CN(CCCN(C)C)CO2 2322034976 YXUYMWUFLBAGQU-UHFFFAOYSA-N 447.362 5.022 30 10 IKEE Sc1nnc(CCCOc2ccccc2)n1N=Cc1ccc(OCc2ccccc2)cc1 2322060384 QKRGKVXXYWLPSF-UHFFFAOYSA-N 444.560 5.040 30 10 IKEE CCCCCCCCCCN1COc2ccc3c(c2C1)OC(=Cc1ccc(C)cc1)C3=O 2322130924 RHQIHWUZVGUDIZ-UHFFFAOYSA-N 433.592 6.904 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1cn(C)c4ccccc14)O3)CN([C@@H]1CCCC[C@@H]1C)CO2 2322153219 LIIUMEFEDBVKIT-HTAPYJJXSA-N 442.559 5.834 30 10 IKEE CCCCCCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1cccc(OC)c1)C3=O 2322190684 BYVWJTOGNXSMKU-UHFFFAOYSA-N 435.564 6.132 30 10 IKEE Cc1ccsc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(CCCc1ccccc1)C3 2322214558 DEKTZUXNRGRVRB-UHFFFAOYSA-N 431.557 5.766 30 10 IKEE CCc1ccc(NC(=O)COc2c(C=CC(=O)c3ccc(C)cc3)cccc2OC)cc1 2322601402 OCGUNBVUQJKAJH-UHFFFAOYSA-N 429.516 5.480 30 10 IKEE Cc1ccc(C)c(COc2ccc3ccccc3c2C=CC(=O)c2cccc3ccccc23)c1 2322722484 NHTGVITWUOBXIM-UHFFFAOYSA-N 442.558 8.085 30 10 IKEE CCCNC(=O)COc1ccc(Br)cc1C=CC(=O)c1c(C)cc(C)cc1C 2322948419 WMTYOXPLLSPENU-UHFFFAOYSA-N 444.369 5.175 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccccc2C)cc1C 2322981287 IRAHMMJKMFWGAE-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE Cc1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2c(F)cccc2Cl)C3=O)cc1 2323063602 NUMGPYJTEKQAJW-UHFFFAOYSA-N 448.877 6.331 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)C=Cc1ccc(Cl)cc1Cl 2323310709 HDBKXAMVHYGKBJ-NRFANRHFSA-N 441.443 6.158 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(OC)c2)cc(OC)c1OCc1ccccc1C 2323510699 FIXFQMLUUVHBIZ-UHFFFAOYSA-N 428.528 6.216 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)ccc1OCC(=O)Nc1cccc(C)c1C 2323627104 FWHLUCWUNJNQSR-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1 2323675555 YGSYPELHGIETOI-UHFFFAOYSA-N 430.460 5.125 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(OC)c1OCc1ccccc1F 2323790070 FAANOSOSPUOITQ-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE COC(=O)c1sc(NN=Cc2cc(Cl)c(OC)c(Cl)c2)nc1-c1ccccc1 2323858283 BONOGNAKFNNRSZ-UHFFFAOYSA-N 436.320 5.358 30 10 IKEE Cc1cc(O)c(CN2CCCC[C@@H]2C)c2c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O2 2324010315 DPJBGBSSXZDKRG-AWEZNQCLSA-N 432.347 5.998 30 10 IKEE Cc1cc(O)c(CN2CCC(Cc3ccccc3)CC2)c2c1C(=O)C(=Cc1ccncc1)O2 2324029921 WPVSXLFRLHVFMY-UHFFFAOYSA-N 440.543 5.167 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(ccc(O)c3CN3C[C@H](C)C[C@@H](C)C3)C2=O)cc1 2324055209 RJAXDGXUPWLWCK-RTBURBONSA-N 434.580 5.333 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1C 2324073876 UBWFANFLZHUMDL-UHFFFAOYSA-N 428.572 7.166 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OCc1c(F)cccc1Cl 2324454175 HZXILBXOQICHKH-UHFFFAOYSA-N 438.926 6.970 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2sccc2C)C3=O)cc1 2324455413 LTUJXINVSZQUOI-INIZCTEOSA-N 449.528 5.396 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OCCc2ccccc2)c(Cl)c1 2324696942 UORJMGWMQSHUHD-UHFFFAOYSA-N 427.327 6.520 30 10 IKEE Cc1cc(C)c(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc4c(c3)OCCO4)n2)c(C)c1 2324787824 HYTGDYUSTGZOJZ-IBGZPJMESA-N 430.529 5.396 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4cccc(Cl)c4C)ccc3C2=O)cc1 2325053693 IYADWJOTVDJUKJ-UHFFFAOYSA-N 447.918 5.845 30 10 IKEE CC(=O)c1cccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2cccc(C)c2)C3=O)c1 2325384917 UNJPJSJQDHGVMX-UHFFFAOYSA-N 441.483 5.140 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc([N+](=O)[O-])cc1 2325528809 LSZLDKVKUIJSOA-UHFFFAOYSA-N 429.933 5.357 30 10 IKEE Cn1c(C(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)OCCO4)c2)cc2ccccc21 2325745779 KIIDVTOVQAAVJN-UHFFFAOYSA-N 439.467 5.065 30 10 IKEE CSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1cccc(Cl)c1 2325911116 MHTRFNZPERTPQG-UHFFFAOYSA-N 427.744 5.421 30 10 IKEE Cc1cc(C)cc(CSc2nnc(C)n2N=Cc2c(Cl)ccc(Cl)c2Cl)c1 2326399352 VCDKFPPIYVIWNQ-UHFFFAOYSA-N 439.799 6.338 30 10 IKEE CCCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1cccc(OCC)c1 2327771951 YNTVHYNWASSXFE-UHFFFAOYSA-N 430.577 5.805 30 10 IKEE CCCCC1CCC(c2nnc(SCc3cccc(F)c3)n2N=Cc2ccco2)CC1 2328140424 FSPIQQRHKWOQBQ-UHFFFAOYSA-N 440.588 6.649 30 10 IKEE COc1cccc(CCc2nnc(SCc3ccc(C)cc3)n2N=Cc2ccccc2)c1 2328605955 HVFWPMGMJCRQOX-UHFFFAOYSA-N 442.588 5.555 30 10 IKEE Cc1ccccc1CCc1nnc(SCCc2ccccc2)n1N=Cc1cccc(F)c1 2329489275 URYQFPAXBUNYQB-UHFFFAOYSA-N 444.579 5.728 30 10 IKEE Clc1ccccc1CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccccc1 2329587260 MNUWNRQQZMPSGU-UHFFFAOYSA-N 439.371 6.426 30 10 IKEE CCCSc1nnc(CCc2cccs2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2329674077 RGZFOHDGKAEVOG-UHFFFAOYSA-N 435.962 5.071 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(O)cc1 2330136879 MBTGRYTXBHKBDM-KRWDZBQOSA-N 448.979 5.963 30 10 IKEE Oc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccc(F)cc2)c(O)c1 2330234250 PBLFDTFQSYDUDA-UHFFFAOYSA-N 440.544 5.126 30 10 IKEE COc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCCc2ccccc2)cc1 2330493505 CBWCIXGYQKYAAY-UHFFFAOYSA-N 428.561 5.095 30 10 IKEE O=C(O)c1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2-c2cccs2)cc1 2330556427 ONJGKXXOXSGUED-UHFFFAOYSA-N 438.509 5.018 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1OC 2330678617 BWGQGIUYRFZIPY-UHFFFAOYSA-N 426.940 6.219 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(-c4ccccc4)cc3)cc2)c1 2330775811 OJYKTVDHLSJNAY-UHFFFAOYSA-N 434.491 6.478 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)cc(Cl)c1OC(=O)C1CCCC1 2330792499 SJYDSHOELWOFTR-UHFFFAOYSA-N 428.912 5.739 30 10 IKEE FC(F)(F)c1ccc(C=Nn2c(SCc3ccccc3)nnc2[C@@H]2CCCO2)cc1 2330952905 JBHBVDFFNCCYEY-SFHVURJKSA-N 432.471 5.323 30 10 IKEE CCOc1cc(C=Nn2c(SCc3cccc(C)c3)nnc2C2CCCC2)ccc1O 2331046368 KDBVFVMLWBXVEL-UHFFFAOYSA-N 436.581 5.523 30 10 IKEE CCc1ccc(C=Nn2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C2CCCC2)cc1 2331049607 UODHMPFQVYDXMB-UHFFFAOYSA-N 435.553 5.581 30 10 IKEE Clc1cccc(CSc2nnc(C3CCCC3)n2N=Cc2cccc3ccccc23)c1 2331092988 NLODCWNWPHBCKA-UHFFFAOYSA-N 447.007 6.917 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)c1cccs1 2331128568 NGSDTQUHAGXJQA-UHFFFAOYSA-N 447.339 6.569 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OC(=O)Cc1ccc(C)c(C)c1 2331158062 HRVOHTVZLLEKFJ-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1cccc([N+](=O)[O-])c1 2331259680 MALYQFJYDLPCEN-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3)c(Cl)c2)cc1 2331304005 FVASDHLIYDINGL-UHFFFAOYSA-N 448.946 6.563 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)C3CCCC3)c(Br)c2)cc1F 2331456764 CXKWKENUWMPRKG-UHFFFAOYSA-N 447.300 5.589 30 10 IKEE O=C(O)c1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C2CCC2)cc1 2331545755 YIEBHJDGHBKZQG-UHFFFAOYSA-N 444.919 5.211 30 10 IKEE COCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(F)cc1F 2331592278 OLAVYAGRYDUQPH-UHFFFAOYSA-N 443.306 5.184 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3c(C)cc(C)cc3C)cc2)c(C)c1 2331762778 NJHBTFKNOMYJJT-UHFFFAOYSA-N 428.528 6.109 30 10 IKEE N#Cc1ccc(Cl)cc1OCc1ccc(I)c(Br)c1 2349924694 DMUAPUZCAHROGH-UHFFFAOYSA-N 448.485 5.158 30 10 IKEE Cc1cc(C#N)cc(C)c1OCc1ccc(I)c(Br)c1 2377290747 KYHIVIVFDAYPNN-UHFFFAOYSA-N 442.094 5.121 30 10 IKEE O=C(/C=C/c1ccc(OC(F)F)cc1)Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F 2792651 MZMAPWJHFMTTRP-ZZXKWVIFSA-N 429.238 5.515 30 10 IKEE C=CCOc1cc(Br)c(/C=N/c2ccc(Br)cc2)cc1OCC 2798905 WFCSIDVSBAMIHG-CIAFOILYSA-N 439.147 5.926 30 10 IKEE O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1ccccc1)n1c(nc3ccccc31)N2 17094638 NFDFMDOJNZSNTL-BVZFJXPGSA-N 425.919 6.105 30 10 IKEE O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1)n1nc(SCc3cccc(F)c3)nc1N2 20135531 XFVXPCDOBHLLPI-FQEVSTJZSA-N 440.931 5.385 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc3ccccc3c2)cc1 21257792 WPQBDNYUSKCVGT-VWNXMTODSA-N 425.528 5.633 30 10 IKEE O=C(Oc1ccc(Cl)cc1C(=O)/C=C\c1ccccc1F)c1cccc([N+](=O)[O-])c1 33442333 NGXFDLQYGCTPAN-NTMALXAHSA-N 425.799 5.503 30 10 IKEE Cc1ccccc1/C=C1/Oc2cc(OCc3c(F)c(F)c(F)c(F)c3F)ccc2C1=O 33536982 HUOKAKZDEDTMSK-CAOOACKPSA-N 432.344 5.886 30 10 IKEE N#Cc1ccc(CN2CCCN(c3cccc(NC(=O)c4ccccc4Cl)c3)C2=O)cc1 34735443 INWCNFHKAXNBKP-UHFFFAOYSA-N 444.922 5.296 30 10 IKEE O=C1/C(=C\c2cc([N+](=O)[O-])ccc2Cl)CCC/C1=C/c1cc([N+](=O)[O-])ccc1Cl 35317111 MWEWOCIGOBYNOF-JMVBYTIWSA-N 433.247 6.030 30 10 IKEE COc1ccc(-c2cc(/C(C)=N\OCc3ccc(C#N)cc3)c(C)n2-c2cccc(C)c2)cc1 35843390 UOGCMUXRJULHDZ-YQYKVWLJSA-N 449.554 6.582 30 10 IKEE C=CCN1C(=O)/C(=C/C(C)=C/c2ccccc2)S/C1=N/c1nc(-c2ccccc2)cs1 39865914 KTONVWGWAMYOMJ-XRSJMVDASA-N 443.597 6.546 30 10 IKEE C[C@@H]1Oc2ccc(-c3csc(-c4ccccn4)n3)cc2N(Cc2ccc(C#N)cc2)C1=O 40603545 QKKSBNJFJQEGKV-INIZCTEOSA-N 438.512 5.058 30 10 IKEE COc1cccc(COc2ccc3c(c2C)O/C(=C\c2ccc(OC)c(OC)c2)C3=O)c1 41503822 KEXFYJZVJICBMD-OYKKKHCWSA-N 432.472 5.216 30 10 IKEE O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C/c1cccc(Oc2ccccc2)c1 59566984 GWNUEUQFBVCFPO-CPNJWEJPSA-N 441.339 6.677 30 10 IKEE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)/C(=N\O)CC(C)(C)C4)ccc21 101108497 MCTRSSAIHWVNCE-USHMODERSA-N 429.520 6.119 30 10 IKEE CC/N=C1\S[C@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)C(=O)N1C1CCCCCC1 103892048 HSUVZLRXKILBAM-HLGQQVFSSA-N 442.412 5.365 30 10 IKEE CC(=O)c1ccc(/N=C2/SCCCN2C(=O)COc2ccccc2-c2ccccc2)cc1 104995771 GHSIRDQWFPJRKC-CYYJNZCTSA-N 444.556 5.588 30 10 IKEE Cc1ccc(/N=C2/S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2ccccc2)cc1 107251243 UEJXYZVJWOOHTC-DIQLGICBSA-N 429.570 6.174 30 10 IKEE O=S(=O)(Nc1ccccc1C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 107440012 FRWFKLCGQLPNST-UHFFFAOYSA-N 437.283 5.544 30 10 IKEE Cc1cccc(/N=C2\NC(=O)S\C2=C\c2cn(-c3ccccc3)nc2-c2ccccc2)c1 110565997 PZMHXEXPMGKIKA-XQNSMLJCSA-N 436.540 6.375 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(OCC)c1 169974470 DQTQCGKVZHSWMN-OAQYLSRUSA-N 443.927 5.213 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(OC(C)C)c1 169981077 MCIMVPHKCMVCIC-JOCHJYFZSA-N 441.955 5.896 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccncc2)cc1C 170016709 NLXYTFHKYMLWTQ-DEOSSOPVSA-N 442.515 5.305 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2C2CCCC2)cc1 170033682 FYDGPEMMRGDLEP-XMMPIXPASA-N 444.531 5.478 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(Cl)cc2)ccc1F 170059794 YWMKWZNZDKZKFN-NRFANRHFSA-N 427.903 5.699 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(F)cc2)c1 170063522 ZYNVQOVXEYDUDJ-HSZRJFAPSA-N 426.447 5.097 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2c[nH]c3ccccc23)c1 170074004 DZGSAYGDDDQRBP-XMMPIXPASA-N 440.474 5.707 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccccc2C)c1 170086033 RXWJELGDNQSKHX-XMMPIXPASA-N 438.483 5.268 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2C2CCCCC2)c1 170119325 HOZZFSDUKHRHMG-XMMPIXPASA-N 449.547 5.393 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2c2ccccc2)c1 170141780 RFWOHVUQILRSHI-VWLOTQADSA-N 439.555 6.384 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2cccs2)c(OC)c1 170157999 CTHDEXQAKFPTPN-JOCHJYFZSA-N 449.528 5.165 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1cccs1 170161550 WUHVHTSGGYDIAZ-JOCHJYFZSA-N 433.529 5.627 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccs2)ccc1OC(C)C 170163974 IMUMTQAHLMEKQG-QFIPXVFZSA-N 439.577 5.755 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccncc1)c1cccc2ccccc12 170212455 ZOKMZUQWYNJAKT-XMMPIXPASA-N 438.458 5.152 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2CCC)cc1 170215588 FJFLMCDFFFPUIT-QHCPKHFHSA-N 437.536 5.251 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCC)cc1 170215929 NDTIZGONQRVUJM-QHCPKHFHSA-N 437.536 5.171 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccccc2)c1C 170225990 IQQMDXFVYLHOKW-GKVSMKOHSA-N 439.511 5.410 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccc2)c1 170228691 YZFZWJXCKWQFID-DEOSSOPVSA-N 427.500 5.567 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(Cl)cc2)c1 170235098 RFTRBSXJAKGGGX-HSZRJFAPSA-N 447.918 5.912 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccc2F)cc1C 170248674 ZGUFIBZWSKFWBK-DEOSSOPVSA-N 445.490 5.542 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2c2cccc(F)c2)o1 170299029 GTLTUEARAAHSJX-IBGZPJMESA-N 446.261 5.817 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2c2cccc(F)c2)o1 170299090 HAXULXVCCVSCOZ-HSZRJFAPSA-N 447.506 6.116 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc(OCC(C)C)c3)=C(O)C(=O)N2C2CCCCC2)o1 170308121 QQOHSLGQGUFRRU-HSZRJFAPSA-N 437.536 5.534 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)c(C)c2)[C@@H]1c1sccc1C 170319435 AHISCBRDGAIPOS-OAQYLSRUSA-N 441.593 5.922 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(OC(C)C)cc2)c1 170331914 UYAAKGXSYZENRA-DEOSSOPVSA-N 443.499 5.265 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(Cl)c1)c1cccs1 170368563 CYTIQBCEQUOWJG-SFHVURJKSA-N 446.311 5.543 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)CC(C)C)[C@H]1c1cccc(Oc2ccccc2)c1 170456689 YWAJLNDACZKJDC-AREMUKBSSA-N 441.527 6.303 30 10 IKEE Cc1ccccc1N=C1S/C(=C\c2ccc(N(C)C)cc2)C(=O)N1c1ccccc1C 252632068 VPPYNVKVOBODLN-SIFMURAYSA-N 427.573 6.178 30 10 IKEE COc1ccc(N=Cc2ccc(OC(=O)c3ccco3)cc2OC(=O)c2ccco2)cc1 254813258 WIBHHSFZORHTGP-UHFFFAOYSA-N 431.400 5.070 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(F)c1Br)NCCC 407894137 SVQABQYNVSJTOZ-MSOLQXFVSA-N 443.401 5.358 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1/N=C\c1ccc(OC)c(OC)c1Cl 526802306 COKBAMUKBKQGNX-MSXFZWOLSA-N 448.951 5.215 30 10 IKEE CCCCOc1ccc(/C=N\n2c(CCC)nnc2SCc2cccc(Cl)c2)cc1 526811101 BARLQKFDQCMZRK-XYGWBWBKSA-N 443.016 6.237 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]([C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C1 698829663 GCBZKTDTWHUFJC-WAIKUNEKSA-N 449.979 5.621 30 10 IKEE C[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)CCN1C(=O)OC(C)(C)C 698888491 COLWHDNQSUFFCX-WAIKUNEKSA-N 449.979 5.763 30 10 IKEE CCCCCCC[C@@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 705428250 CDJPKAPCJKEIAF-QPTUXGOLSA-N 434.665 6.214 30 10 IKEE CCCCCCCC[C@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 705437105 IQHWDEYIUFRPRL-HVCNVCAESA-N 448.692 6.604 30 10 IKEE CCCN[C@H](CC#CC(C)(C)C)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 705509574 FWVITJOTMPBZRV-MZYLBHOOSA-N 430.633 5.293 30 10 IKEE CCCCCCC[C@H](NC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 708528496 ZQNWEMNZDDWBEO-VQTJNVASSA-N 441.454 5.833 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@H](C#N)c1cccc(Cl)c1Br 719683888 JBJTUVLQFZGCNI-OAHLLOKOSA-N 441.778 6.166 30 10 IKEE O=C(CCc1cc2ccccc2nc1O)OCc1c(F)c(F)c(C(F)(F)F)c(F)c1F 774267808 QXVRWPQYCIKRBQ-UHFFFAOYSA-N 447.306 5.192 30 10 IKEE CCc1cccc(C)c1-n1c(C)cc(C=Nc2cccc(I)c2)c1C 1084474328 HGFPQKNZLJYSDK-UHFFFAOYSA-N 442.344 6.320 30 10 IKEE N#Cc1c(-c2ccc(Cl)cc2)n2c(-c3ccc(Br)cc3)csc2nc1=O 1088690226 LPCTUABOOOCPJO-UHFFFAOYSA-N 442.725 5.378 30 10 IKEE C[C@@H](CCN(Cc1ccc(C#N)cc1)c1ccc2nc(O)[nH]c2c1)OCc1ccccc1 1191780002 FFXLJLWSUDOUPS-IBGZPJMESA-N 426.520 5.142 30 10 IKEE C=C(C)[C@@H]1CC[C@]2(C)CC[C@@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12 1565535514 MQYXUWHLBZFQQO-KMMCZGEWSA-N 426.729 8.025 30 10 IKEE Cc1cccc(N=C2S/C(=C/C=C/c3ccccc3[N+](=O)[O-])C(=O)N2c2ccccc2)n1 1772738465 RYEXVQYMQXWBNB-NBDRXSTNSA-N 442.500 5.663 30 10 IKEE COc1ccc(C=NN=C2S/C(=C/c3ccccc3C)C(=O)N2Cc2ccco2)cc1 1772757806 KSBDLNSVEQVEEV-HWVQBVCISA-N 431.517 5.103 30 10 IKEE C=CCN(CC=C)c1nc(-c2ccnc(NCc3ccc(OC)cc3)c2)cc2cnccc12 1857844063 LGNXVTIQGUKEEG-UHFFFAOYSA-N 437.547 5.491 30 10 IKEE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ncccc1OCc1ccc(C#N)cc1 1858754036 ZHEYIEGYMVWIOZ-AWEZNQCLSA-N 442.302 5.245 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1cccc([N+](=O)[O-])c1 1862384733 ZGYCNOGQTVXKQA-SFHVURJKSA-N 449.290 5.280 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C2CCCC2)cc1 1862385552 RYSUHERZGKYJSO-FQEVSTJZSA-N 446.330 5.523 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CC)cc1 1862409691 QWSTVWAYJXQSSL-QHCPKHFHSA-N 437.536 5.171 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCCc2ccccc2)cc1 1862428953 BMCAKTJPSAKOEO-XMMPIXPASA-N 445.946 5.860 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc2cc[nH]c2c1)c1ccccc1Cl 1862432973 QZUAKRDESQBVCF-QFIPXVFZSA-N 434.923 5.732 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1c(F)cccc1Cl)c1ccccc1Cl 1862434943 KORWJRWGANMMLS-HXUWFJFHSA-N 448.321 6.044 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2ccc(O)cc2)cc1 1862529035 BEDHFSNRPNFLLS-XMMPIXPASA-N 427.500 5.042 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@H]2c2ccccc2F)cc1 1862529858 KSDOOBIXXPJHAG-DEOSSOPVSA-N 445.490 5.175 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 1862619433 VGMLCZPTOJVDTB-OAQYLSRUSA-N 436.508 5.127 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(OCC)c(OC)c1 1862657832 KHURZYBJAILLBO-DEOSSOPVSA-N 443.499 5.011 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(O)c(OC)c1 1862665582 KFFSXFNWOYHYNR-HSZRJFAPSA-N 437.536 5.293 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(F)cc2)=C(O)C(=O)N1CCc1ccc(Cl)cc1 1862674570 PCZOBWJCFLHYSE-HSZRJFAPSA-N 449.909 5.609 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc2ccccc12 1862678846 VQSYNFLSZJPBGC-DEOSSOPVSA-N 447.506 5.372 30 10 IKEE CC(C)c1ccc(NC2=C(c3ccc(F)cc3F)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862945063 UVUJHVBRBXREJD-UHFFFAOYSA-N 443.453 5.356 30 10 IKEE CSc1cccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3cc(C)ccc3C)C2=O)c1 1863033729 CVHGBPFOZIUUIO-UHFFFAOYSA-N 439.540 5.294 30 10 IKEE C=CCN1C(=O)C(NCCCCCCCC)=C(c2ccc(OCc3ccccc3)cc2)C1=O 1863706762 KYHDVDWNEDSTRU-UHFFFAOYSA-N 446.591 5.482 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccccn2)=C(c2ccccc2OC)C1=O 1863765954 FNIUNHNCMCTDNX-UHFFFAOYSA-N 449.595 5.101 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2Cl)C(=O)N(CCCOC(C)C)C1=O 1863775572 DUQHPTKSJWWYAW-UHFFFAOYSA-N 435.008 5.185 30 10 IKEE CCOC(=O)c1sc(NC(=O)[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)c(C#N)c1C 1865877608 FUKYLLJAXLEKIJ-AWEZNQCLSA-N 441.940 5.298 30 10 IKEE COc1ccc(/C=C(/C(=O)Nc2c(C#N)cnn2-c2ccccc2F)c2ccccc2)cc1 1865913994 QOIGTHAUCHKTOP-PXLXIMEGSA-N 438.462 5.071 30 10 IKEE O=C(Nc1ccc(-c2ccncc2)cc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1865966281 KXPBCRDPBSBVSG-UHFFFAOYSA-N 428.307 6.178 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)CCCCCC)n(-c2ccc(Cl)c(Cl)c2)n1 1870004115 VHLIIMDKMBHAJK-UHFFFAOYSA-N 436.387 5.661 30 10 IKEE N#Cc1nnn(-c2ccc(OCc3ccc(Cl)cc3)cc2)c1NC(=O)CC1CCCCC1 1870136701 FYMSAFPHFIVMGW-UHFFFAOYSA-N 449.942 5.280 30 10 IKEE N#Cc1nnn(-c2ccc(Cl)c(Cl)c2)c1NC(=O)C(c1ccccc1)c1ccccc1 1870139210 DZGQRULJJXHGQK-UHFFFAOYSA-N 448.313 5.216 30 10 IKEE C=CCn1cc(OCc2ccc(F)cc2)c(=O)cc1CSc1nc2ccccc2s1 1870169312 FHVFUCZPQOQVSJ-UHFFFAOYSA-N 438.549 5.654 30 10 IKEE CCCCN(CC)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCc1ccccc1 1870348609 DYFJANSHYLCCTP-UHFFFAOYSA-N 443.591 5.164 30 10 IKEE C=CCn1cc(OCCCCCC)c(=O)cc1CNc1ccc(Br)cc1C 1871124015 KAKPOWFLZPKWTR-UHFFFAOYSA-N 433.390 5.676 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3cccc(Cl)c3)CO4)C2=O)cc1 1871348202 XXLANJLQNCECTG-MXAYSNPKSA-N 445.946 6.432 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OC(=O)/C=C/c4cccs4)ccc3C2=O)c2ccccc21 1871380932 KBLCPACDPPKROM-IGJFBMOASA-N 441.508 5.958 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccccc4Cl)cc(C)c3C2=O)c1 1871404523 MEDBCSMNTGWPKX-SUVVMJBMSA-N 447.918 5.979 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871411227 GYKWPKZENHTEGD-SMNNTEATSA-N 443.499 5.334 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OCC(=O)N[C@@H](C)c3ccccc3)cc(C)c2C1=O 1871421866 PEFRXHVDAAFUSR-WBRURWICSA-N 433.529 5.237 30 10 IKEE Cc1cc(OCC(=O)N[C@@H](C)c2ccccc2)cc2c1C(=O)/C(=C/c1ccc(F)cc1)O2 1871424576 OCCSOWLVJMKWIT-ICODJCHTSA-N 431.463 5.007 30 10 IKEE COC(=O)c1ccc(COc2ccc3c(c2C)O/C(=C\c2cn(C)c4ccccc24)C3=O)o1 1871438704 NCNBWORGNMSIDN-FMCGGJTJSA-N 443.455 5.062 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 1872252244 JORBZYWTFAXVHP-NRFANRHFSA-N 434.989 5.023 30 10 IKEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1cc(C)ccc1C 1872299422 XGMCZIXBEVWRSD-NRFANRHFSA-N 449.016 5.249 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccccc1CC)C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1872467665 KECPWRARWXXGIO-QFIPXVFZSA-N 449.016 5.133 30 10 IKEE N#C[C@H](C(=O)Cc1c[nH]c2ccccc12)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872769649 XLXWEGMZWOHGLX-OAHLLOKOSA-N 426.328 6.017 30 10 IKEE CC(C)c1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1 1872776467 QLFYFMONTGHAGJ-INIZCTEOSA-N 425.897 5.985 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)cc1 1872778135 DYERWDQBYOAYGW-HSRJRILOSA-N 432.545 5.724 30 10 IKEE N#C[C@H](C(=O)/C(=C\c1ccccc1)c1ccccc1)c1nc(-c2ccc(F)c(F)c2)cs1 1872780097 ZQHNHUSZVMZCSJ-DMMSUNFISA-N 442.490 6.505 30 10 IKEE CC(C)(C)c1ccc(C(=O)[C@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 1872787428 JNFUUCZDCLJEND-KRWDZBQOSA-N 429.372 6.904 30 10 IKEE CCCCN(CCC)CC(=O)[C@H](C#N)c1nc(-c2ccccc2)c(-c2ccccc2)s1 1872799290 GMJLODAEOMDOEN-QFIPXVFZSA-N 431.605 6.165 30 10 IKEE CCCCCCCCCCNC1=C(c2cc(F)c(F)cc2F)C(=O)N([C@H](C)CC)C1=O 1873062600 OJYNKSWIYHHZCH-MRXNPFEDSA-N 438.534 5.713 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC2CC2)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873085154 BSDOIHWTRPBHDA-UHFFFAOYSA-N 444.619 6.326 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCCCC)=C(c2ccccc2C)C1=O 1873103114 TWDQKKIVOJKHGY-UHFFFAOYSA-N 426.645 6.386 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(OC)c2)=C(c2cc(F)cc(F)c2)C1=O 1873318470 SCJJXMLWZVRYFL-UHFFFAOYSA-N 442.506 5.526 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccccc2OC)=C(c2ccccc2)C1=O 1873413042 IYHBRQZNFZOTOG-UHFFFAOYSA-N 434.580 6.028 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(NC(C)=O)cc2)=C(c2ccccc2)C1=O 1873415524 SUBOQPUJYMYNHP-UHFFFAOYSA-N 433.552 5.198 30 10 IKEE Sc1nnc(-c2cccs2)n1/N=C/c1cccc(OCc2ccccc2Cl)c1 1873503036 DXJISUSDFULOND-WSDLNYQXSA-N 426.954 5.410 30 10 IKEE CCCCCCCCNC(=O)[C@@H]1c2ccccc2C(=O)N([C@@H](C)CC)C12CCCCC2 1873885955 ATADWCIECKWOOK-URXFXBBRSA-N 426.645 6.204 30 10 IKEE CCCCCCCCCCNC(=O)c1cc(-c2ccccn2)nc2ccc(C(C)C)cc12 1873935425 PXVJJGDPYHWVCD-UHFFFAOYSA-N 431.624 7.291 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccc(N(CC)CC)cc3C)c(=O)oc2c1 1873975719 ZPIUHTJYMYQVDH-UHFFFAOYSA-N 448.563 5.392 30 10 IKEE CSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1ccccc1Cl 1874205817 VMMGOTGUYRWZRQ-ZVBGSRNCSA-N 427.744 5.421 30 10 IKEE C=CCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccc(OCC)cc1 1874256270 RMOZBNPJEQQSIC-MFKUBSTISA-N 436.581 5.341 30 10 IKEE CCSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1c(Cl)cccc1Cl 1874261797 SNJNBDNNZFEAGC-NUGSKGIGSA-N 443.306 5.436 30 10 IKEE CSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1c(Cl)cccc1Cl 1874262873 VEARLDIMNDUUDN-ZVBGSRNCSA-N 427.744 5.421 30 10 IKEE CCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874263204 METOCTVOUGBCJP-BHGWPJFGSA-N 440.878 5.524 30 10 IKEE CCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc(C(F)(F)F)cc1 1874276554 RGQIMFLQDVQNCE-DHRITJCHSA-N 438.906 5.730 30 10 IKEE CCCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1c(F)cccc1Cl 1874284637 QKGVDQPJDVFKNL-ZMOGYAJESA-N 437.371 5.894 30 10 IKEE CCCOc1ccc(/C=N/n2c(Cc3ccc(OCC)cc3)nnc2SCCC)cc1 1874304460 ZYBFURXPOJUMJI-XIEYBQDHSA-N 438.597 5.441 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(OC)cc2)n1/N=C/c1ccc(C(C)C)cc1 1874305632 HDKLYVVVHJPNRT-WGOQTCKBSA-N 434.609 5.746 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2C)n1/N=C/c1ccccc1 1874361182 NBXYSDBRUKBLDG-OVVQPSECSA-N 426.589 5.855 30 10 IKEE CCSc1nnc(Cc2ccccc2F)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874375066 CTZSKLCUCLVLAC-WPWMEQJKSA-N 446.551 5.581 30 10 IKEE CCCSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1ccc(Br)cc1 1874400516 SDBRPBAZXSARFU-QQHUYRGFSA-N 429.387 5.577 30 10 IKEE Clc1ccccc1/C=N/n1c(CC2CCCCC2)nnc1SCCc1ccccc1 1874408240 MRPNJEJWPMQHLE-NLRVBDNBSA-N 439.028 6.271 30 10 IKEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3ccccc3C)nnc2-c2ccccc2)c1 1874427257 YXNKIXKZCGYFQN-WGOQTCKBSA-N 441.560 5.175 30 10 IKEE Cc1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2ccc3c(c2)OCCO3)cc1 1874451762 OCBABALRQNQANR-MFKUBSTISA-N 434.565 5.190 30 10 IKEE CCCOc1cccc(/C=N/n2c(CCOC)nnc2SCc2ccc(Cl)cc2)c1 1874473664 QBSHUMJFIZVTRU-BUVRLJJBSA-N 444.988 5.084 30 10 IKEE Cc1ccccc1CSc1nnc(C(C)(C)C)n1/N=C/c1ccc(Br)cc1 1874483466 XMWGJUARLWNJNN-YDZHTSKRSA-N 443.414 5.821 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C(C)C)c1 1874516695 CLYOTQWAMULHPJ-FOKLQQMPSA-N 435.380 5.891 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1cccc2ccccc12 1874525867 JUGBDTJHQCVENO-DHRITJCHSA-N 441.387 6.475 30 10 IKEE COC(=O)c1ccc(COc2ccccc2/C=C/C(=O)c2ccc(-c3ccccc3)cc2)o1 1874570856 LXNDOKLGUVSVTB-BMRADRMJSA-N 438.479 6.208 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2cc(C)ccc2C)c(C)c1 1874578921 NDQDBCFWUNSPEN-DHZHZOJOSA-N 447.962 6.487 30 10 IKEE COc1cc(C(=O)/C=C/c2ccccc2OCc2cc(C)ccc2C)c(OC)cc1Cl 1874587599 VKLASGGHRDGNRK-VAWYXSNFSA-N 436.935 6.449 30 10 IKEE COc1cc(Br)cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)c1OCCO 1874590429 LAUOAQIHQIWWCM-VQHVLOKHSA-N 447.369 5.331 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccccc2OCC(=O)Nc2cccc(C)c2)cc1C 1874591065 QKVKFPDMXUDHAE-OUKQBFOZSA-N 429.516 5.534 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3CC)c(OC)c2)cc1 1874605470 ZZPZCZPRWKWYLC-FOWTUZBSSA-N 443.543 5.734 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)ccc1F 1874618722 PVBITCKJJFWJGM-ONNFQVAWSA-N 425.843 6.171 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OCC(=O)Nc1cccc(C)c1 1874619215 PRFNITXJCYXRMX-PKNBQFBNSA-N 445.515 5.234 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c1C 1874629164 PALYMBOEDISWNY-YRNVUSSQSA-N 449.934 6.957 30 10 IKEE C=C(C)COc1c(Br)cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OCC 1874633100 LXTAPWYMEQDYGB-CSKARUKUSA-N 429.354 6.316 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCCC 1874659446 BUUBEWWQOPKHLQ-XMMPIXPASA-N 427.633 5.642 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCc3ccccc3C)c2)c(OC)c1 1874714452 WRSRYIQCSZFTAL-RVDMUPIBSA-N 430.500 5.447 30 10 IKEE COc1ccccc1CCC(=O)Oc1cccc(/C=C/C(=O)c2c(C)cc(C)cc2C)c1 1874716523 WJXIPXHSDOILFB-WYMLVPIESA-N 428.528 6.055 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)COc3cccc(C)c3C)c2)cc1C 1874717890 NUGWVGPQKHDRHM-OUKQBFOZSA-N 444.527 5.809 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)cc2)cc1C 1875097080 USUYOHJMLGEYDC-MHWRWJLKSA-N 440.539 6.063 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 1875112413 HNUHGWMFDURAQL-YIXHJXPBSA-N 427.283 6.117 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2OC)cc(OC)c1OC(=O)Cc1cccs1 1875119942 UQZVSZSUSMXHBJ-OUKQBFOZSA-N 448.540 5.538 30 10 IKEE CCCCC(=O)Oc1c(OCC)cc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc1[N+](=O)[O-] 1875152570 VUSCQCNOARHFEV-CSKARUKUSA-N 445.443 5.133 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(F)c3)cc2Cl)c1 1875161872 LLZQOYCKWUASAD-WEVVVXLNSA-N 428.818 5.742 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)C1CCCC1 1875185566 YXPPSRPJDOOHFX-NTCAYCPXSA-N 434.576 6.683 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2Cl)cc1)c1cc(Cl)ccc1Cl 1875191510 PYCLJAOREFZGBG-KPKJPENVSA-N 431.702 6.762 30 10 IKEE C#Cc1cc(CC(=O)OC)c(C)c(NC(=O)OCC2c3ccccc3-c3ccccc32)c1 1887520772 KPAVPYLBJXLWRI-UHFFFAOYSA-N 425.484 5.053 30 10 IKEE C=CCN(C[C@H](NCCC)c1cc(F)c(Br)cc1F)C(=O)OC(C)(C)C 1894939881 PLJJJTPMFYQJLS-KRWDZBQOSA-N 433.337 5.191 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)c1cccs1 1922079033 BNSNCSZWEILBLR-YADHBBJMSA-N 430.614 5.455 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21 1922107256 KLTPVVDYUDFGLQ-LOSJGSFVSA-N 436.596 5.272 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1coc([C@H](C)NC(=O)OC(C)(C)C)n1 1922110263 BGSZRMCJBBFGHE-GHTZIAJQSA-N 429.561 5.074 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CCCC1(C)C 1922115497 HXJBQFPJOFHXAI-BKMJKUGQSA-N 430.633 5.601 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C1CC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1922126264 SHTCTRQQUYHWDK-DEOSSOPVSA-N 442.644 5.555 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 1933986957 BPDBDANWFZKVET-VWLOTQADSA-N 441.572 5.107 30 10 IKEE CCC[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 1944858988 GYVSVCDPDYIWKK-YWZLYKJASA-N 449.514 5.105 30 10 IKEE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N 2006173992 BSNXQDXIJKSFCE-XPWALMASSA-N 427.633 5.758 30 10 IKEE CCCCCC#CC[C@@H](N)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2024369794 JHMWOHAFFHIKNL-ZEQKJWHPSA-N 428.617 5.132 30 10 IKEE CC[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2OC)CN1Cc1ccccc1 2029749251 BYZYTAOQFSLVRJ-HFZDXXHNSA-N 435.568 5.384 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(Cc3ccccc3)C(C)(C)C2)cc1 2037384349 VEPOUGQWWNBLRX-AREMUKBSSA-N 435.568 5.384 30 10 IKEE C=C1CC[C@H](O)C/C1=C/C=C1/CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@@H](C)CC(F)(F)CC(C)(C)O 2037633232 QHPKSIWDAYRSIM-LOMPGXGZSA-N 436.627 6.979 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C1(NC(=O)OC(C)(C)C)CC(C(C)(C)C)C1 2047690331 PABJJTVGPNDZFU-CPXZFZLSSA-N 444.660 5.847 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1C[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2048078347 REUHPQYLBOVDBA-NLFFAJNJSA-N 443.588 5.890 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)CC12CCC2 2063292847 QXBIAQWJAZJIDP-QFIPXVFZSA-N 448.568 5.140 30 10 IKEE 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)c1ccccc1)C2 2070482063 DPDDKWRQCCKCKN-GSRZOBFVSA-N 445.535 5.200 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2076319569 UKSCWZOSXBEQPU-MZNJEOGPSA-N 447.551 5.497 30 10 IKEE CCCc1ccc([C@H](CC)n2nc(C3(C)CC3)c(C#N)c2I)cc1 2079881209 TTYKNCFHORYDEL-KRWDZBQOSA-N 433.337 5.363 30 10 IKEE CCCc1ccc([C@@H](CC)n2nc(C(F)F)c(C=NO)c2I)cc1 2079934068 CJVUQDFPWFVSII-CQSZACIVSA-N 447.267 5.185 30 10 IKEE Fc1cc(-c2c(C(F)(F)F)nn([C@H]3CCOC3)c2Br)cc(C(F)(F)F)c1 2080852787 ZCEHYMAATHETEH-JTQLQIEISA-N 447.148 5.451 30 10 IKEE C=CCCCCCCCC[C@H](NC)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2086262556 XGVWVHLBXLKHTN-DQEYMECFSA-N 445.692 5.907 30 10 IKEE Clc1ccc(N=C2N[C@H](C3CCC3)CS2)c(Cl)c1I 2093947626 AIPATYDUJLZFIO-JTQLQIEISA-N 427.138 5.091 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Cl)c(Br)c1F 2102881516 AZCFNZWHLNQQNL-PBHICJAKSA-N 447.776 5.199 30 10 IKEE Cc1cc(CNC(=O)OC(C)(C)C)cc(Nc2cc(Br)c(C#N)cc2F)c1 2162388299 WNNFMWQGYVKCFQ-UHFFFAOYSA-N 434.309 5.537 30 10 IKEE CC[C@@H]1CN(c2cc(Cl)c(C#N)cc2F)[C@H](CC)CN1C(=O)OCc1ccccc1 2177391836 WAGLWFRJSJOGCK-RTBURBONSA-N 429.923 5.367 30 10 IKEE COc1cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)ccc1Br 2192140497 TYPJCMKIIOPNBT-KRWDZBQOSA-N 435.293 5.603 30 10 IKEE C=CCCCCCCC[C@H](NC)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2214624618 UVSVFNVSILFHEL-XWGVYQGASA-N 432.649 5.990 30 10 IKEE CCCc1ccc(C#CC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)cc1 2223309739 FKTATHGFKQZVMQ-CJFMBICVSA-N 435.564 5.058 30 10 IKEE C=CCCC1([C@@H](NCC)c2cc(Br)cs2)CN(C(=O)OC(C)(C)C)C1 2254994457 QGVQRGFEYWPPEL-INIZCTEOSA-N 429.424 5.365 30 10 IKEE CCCCCCCCC[C@](C)(CN)N(CCN(C)Cc1ccccc1)Cc1ccccc1 2263634859 DVTDXXHPAMLYQU-GDLZYMKVSA-N 437.716 6.479 30 10 IKEE O[C@@H](C#Cc1ccc(Br)cc1)c1cc(Br)cc(Br)c1 2278814310 QJPMTIHXIYUBLG-HNNXBMFYSA-N 444.948 5.059 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(OCc3cccc(C)c3)c(OCC)c2)SC1=S 2293228168 CAORUSWTRMNMPI-UHFFFAOYSA-N 425.575 5.360 30 10 IKEE CCCN(CCC)Cc1c(O)ccc2c1OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2296589882 UGOZTJDWKQPOEB-UHFFFAOYSA-N 427.544 6.297 30 10 IKEE CCOc1ccc(C=C2SC(=Nc3ccccn3)N(C3CCCCC3)C2=O)cc1OC 2314542342 UVINSXYRVNYRLD-UHFFFAOYSA-N 437.565 5.426 30 10 IKEE CCOc1ccc(C=CC(=O)Nc2sc(=S)c3c(c2C#N)CC[C@@H](C)C3)cc1OC 2314793783 ZOONFUXTLIGBGI-CQSZACIVSA-N 440.590 5.533 30 10 IKEE COc1ccc(OC)c(C=C2Oc3c(ccc(OCC=Cc4ccccc4)c3C)C2=O)c1 2321815484 DCGUAYFPCBMHLS-UHFFFAOYSA-N 428.484 5.721 30 10 IKEE CCCCOc1ccccc1C=Nn1c(S)nnc1COc1cc(C)c(Cl)c(C)c1 2322234547 VBOABOSNJRFTTM-UHFFFAOYSA-N 444.988 5.477 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(Cl)cc2Cl)c1OCc1cc(C)ccc1C 2322391194 GUTQYKGUZCHVGG-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE O=C(C=Cc1c(OCc2cccc(Cl)c2)ccc2ccccc12)c1ccc(Cl)cc1 2322528470 MMFQJYKWPROAPI-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE CCN(CC)C(=O)COc1ccc(Cl)cc1C=CC(=O)c1c(C)c(C)cc(C)c1C 2322843455 UOFYIMICZCFXQL-UHFFFAOYSA-N 427.972 5.717 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2c(OCC(=O)OCC(C)C)ccc3ccccc23)c(C)c1 2322948482 JKDBRLZUFFPPSW-UHFFFAOYSA-N 430.544 6.239 30 10 IKEE O=C(C=Cc1cccc(OCc2cccc3ccccc23)c1)c1ccc(-c2ccccc2)cc1 2323044221 QVCQCZBGDKUUGK-UHFFFAOYSA-N 440.542 7.982 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3cccc(C)c3C)c2)cc1 2323135563 WILSDBFVEGDOSN-UHFFFAOYSA-N 429.516 5.616 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OCc2c(F)cccc2Cl)c1 2323332136 ZBCUJCJDRDGKRI-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)cc1OC 2323438215 GNBNGFBQZOYGLK-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Br)cc2)ccc1OCc1ccccc1F 2323601695 MNWFREHXGSMZKT-UHFFFAOYSA-N 441.296 6.072 30 10 IKEE CCOc1c(OC)cc(C=NNc2nc(-c3c(C)cc(C)cc3C)cs2)cc1[N+](=O)[O-] 2323854408 WGHJLYIFTPQHFD-UHFFFAOYSA-N 440.525 5.497 30 10 IKEE CCN(Cc1ccccc1)c1ccc(C=NNc2nc(-c3cccs3)c(C)s2)cc1 2323864847 OSBURKZFFZUPPF-UHFFFAOYSA-N 432.618 6.653 30 10 IKEE CCOc1c(Cl)cc(C=NNc2nc(-c3c(C)cc(C)cc3C)cs2)cc1OC 2323865462 DVRCDFYPOBZEIX-UHFFFAOYSA-N 429.973 6.242 30 10 IKEE COc1ccc(-c2csc(NN=Cc3ccccc3OCc3ccc(C)cc3)n2)cc1 2323865725 QVTOQKMNNOBIHB-UHFFFAOYSA-N 429.545 6.152 30 10 IKEE COC(=O)COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1Br 2323886779 STTCJLNXARTMSK-UHFFFAOYSA-N 444.108 5.204 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccc(C)cc4C)cc(C)c3C2=O)cc1 2324494414 GSEXPFISJYTUOS-HXUWFJFHSA-N 441.527 5.942 30 10 IKEE COc1ccc(C=C2Oc3cc(OCCOc4ccc(C)cc4)cc(C)c3C2=O)cc1OC 2324538437 JUQWHYZHSYDKBS-UHFFFAOYSA-N 446.499 5.395 30 10 IKEE N#C[C@@H](C(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2cc(Cl)ccc2Cl)cs1 2324837718 BPTFFDRDDBCQJF-INIZCTEOSA-N 444.299 5.915 30 10 IKEE CCCCCCOC(=O)COc1ccc2c(c1)OC(=Cc1cn(C)c3ccccc13)C2=O 2325027897 SMRDWOAGRXZOML-UHFFFAOYSA-N 433.504 5.297 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2sccc2C)C3=O)c1 2325722106 MOUGLNWBVDURLB-UHFFFAOYSA-N 433.529 5.615 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C=CC(=O)c3ccc(F)c(C)c3)ccc2OC)cc1 2325741165 TUJZPPIKBMYXRT-UHFFFAOYSA-N 434.463 5.657 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cccc(OC(=O)C23CC4CC(CC(C4)C2)C3)c1 2325757773 UYKYJZMFUFZQJY-UHFFFAOYSA-N 444.571 6.330 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2cccc(OC(=O)CCCSC)c2)c1 2325758393 GMYIZXIZUQNSBW-UHFFFAOYSA-N 428.550 5.429 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2ccc(C)c(C)c2)cc1OC(=O)CC(C)C 2325760173 MVXNIDRAIREFCX-UHFFFAOYSA-N 445.353 5.922 30 10 IKEE CCOc1ccc(C=Nn2c(COc3cc(Cl)ccc3Cl)nnc2SC)cc1 2325910977 CKLBUDQPOLDHKN-UHFFFAOYSA-N 437.352 5.167 30 10 IKEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CN(Cc2ccccc2)C2(CCCCC2)C1 2326074932 ABWWITNNBYETMI-NDEPHWFRSA-N 432.608 5.497 30 10 IKEE CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccccc1OC 2326118112 ZEIYKYFZGZOWSW-UHFFFAOYSA-N 430.961 5.130 30 10 IKEE CCN(CC)c1ccc(C=Nn2cnnc2SCc2ccc(Br)cc2)cc1 2326606035 YJBFONWIVBFNIH-UHFFFAOYSA-N 444.402 5.061 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1ccc(N(CC)CC)cc1 2326681465 VPPOVNCGZQOAFG-UHFFFAOYSA-N 446.624 5.513 30 10 IKEE CCCCOc1ccc(C=Nn2c(SC)nnc2C2CCC(CCCC)CC2)cc1 2328106725 MQPZRNNXBZNZBI-UHFFFAOYSA-N 428.646 6.525 30 10 IKEE Cc1ccc(CSc2nnc(COCc3ccccc3)n2N=Cc2ccccc2O)cc1 2329303266 SNZGHYBBTRMZAD-UHFFFAOYSA-N 444.560 5.183 30 10 IKEE CCCCOc1ccc(C=Nn2c(COCc3ccccc3)nnc2SCCC)cc1 2329354434 WZWLLINMQLYLNF-UHFFFAOYSA-N 438.597 5.558 30 10 IKEE Fc1cccc(C=Nn2c(CCc3cccs3)nnc2SCc2ccccc2F)c1 2329665433 ALESMDDEXUKOFH-UHFFFAOYSA-N 440.544 5.578 30 10 IKEE Cc1cccc(C=Nn2c(COc3ccccc3)nnc2SCc2cccc(C)c2)c1 2329886769 NGYVYWKWWSHPDJ-UHFFFAOYSA-N 428.561 5.648 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccccc3)n2N=Cc2cccc(Cl)c2)c1 2329898405 JXSYMGQOKLVFJA-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE Cc1ccc(C)c(CSc2nnc(COc3ccccc3)n2N=Cc2ccccc2O)c1 2329919031 LXLHAQZVMZXIII-UHFFFAOYSA-N 444.560 5.354 30 10 IKEE O=[N+]([O-])c1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2-c2cccs2)cc1 2330539210 LNHJPIMYTSTZKF-UHFFFAOYSA-N 439.497 5.228 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2ccc(F)cc2)c1 2330642713 LEQUEDGACVNNRP-UHFFFAOYSA-N 445.523 5.006 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1[N+](=O)[O-] 2330690117 SARBCFSMISMKKS-UHFFFAOYSA-N 435.520 6.246 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(OC)c2)ccc1OC(=O)c1cccs1 2330731930 IGSNAJOTLBZPQR-UHFFFAOYSA-N 438.501 5.279 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)c(C)c3)c(OC)c2)c1 2330799906 QZRWNZLOQLLFOM-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C(F)(F)F)c1 2331154791 FHDNLQSYIPCPJZ-UHFFFAOYSA-N 440.878 5.524 30 10 IKEE FC(F)(F)c1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccccc1Cl 2331155226 BGAAOEAOZQJEPS-UHFFFAOYSA-N 431.270 5.778 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3ccccc3C)nnc2-c2ccco2)cc1 2331174466 SGTRSLPNUMPJBB-UHFFFAOYSA-N 432.549 5.810 30 10 IKEE Clc1ccc(C=Nn2c(SCc3ccccc3)nnc2-c2ccco2)cc1Cl 2331205090 DHMLRTUGDQJLGA-UHFFFAOYSA-N 429.332 6.019 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1cccs1 2331248881 YXRPAURUVJTGAN-UHFFFAOYSA-N 447.339 6.569 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(Cl)cc3)cc2)cc1 2331294076 MYVDMWOVAKDBAR-UHFFFAOYSA-N 434.919 6.173 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)CC1CCCCC1 2331318152 AHAKBIUBSSWXJL-UHFFFAOYSA-N 436.548 6.093 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)c1ccccc1 2331571098 NOWLNVJFYSMTED-UHFFFAOYSA-N 434.438 5.817 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2cccc(Cl)c2)cc1 2331684507 KAPVHSCLOFXOTP-UHFFFAOYSA-N 441.988 5.230 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)cc3OC)cc2)c1 2331717138 VNOYIDFVAVBGET-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(C3CC3)n2N=Cc2ccc(Cl)c(Cl)c2)cc1 2331735319 IPKZSFHVHAFISG-UHFFFAOYSA-N 448.335 5.545 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OC(=O)Cc2ccc(F)cc2)cc1 2331741288 FKYLLQQABZVKFF-UHFFFAOYSA-N 438.882 5.840 30 10 IKEE CC#CCN(C[C@H](NCCC)c1ccc(Br)cc1Cl)C(=O)OC(C)(C)C 2337912016 HXCTXCCFHAPBCI-SFHVURJKSA-N 443.813 5.404 30 10 IKEE CC[C@@H](CN(CC)C(=O)OC(C)(C)C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339583496 XKUZXBSJOVKVFZ-IBGZPJMESA-N 446.397 5.141 30 10 IKEE C/C(=N\Nc1nc(N2CCCCCC2)nc(N2CCCCCC2)n1)c1ccc(Cl)cc1 8871996 NFLMPAKLXLCXRF-MTDXEUNCSA-N 442.011 5.122 30 10 IKEE CC(C)CNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(F)cc1 14606050 FFFJCFKUYPGQSU-SANMLTNESA-N 449.570 5.214 30 10 IKEE CCCCN1C(=O)/C(=C\c2ccc(Br)cc2)S/C1=N/c1ccc(OC)cc1 15912072 BNEQDWCHNPCVRI-QSAWGAGVSA-N 445.382 5.862 30 10 IKEE C=CCOc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(Cl)cc2)cc1 20892394 WPCHVZGVYJGXNQ-OAQYLSRUSA-N 425.941 5.174 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)c(Cl)c2)cc1 21220506 PHGXEUIVOGBBDD-DOTOQJQBSA-N 430.331 5.396 30 10 IKEE COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccn2)cc1OC 21227118 SPZZTHZIDBHMTH-WGDIFIGCSA-N 427.504 5.078 30 10 IKEE Cc1ccc(-c2ccc(CCC(=O)N3CCC(C)CC3)n2-c2ccc(CC#N)cc2)c(C)c1 23427993 JBSDOPJHZJBITD-UHFFFAOYSA-N 439.603 6.018 30 10 IKEE CCc1ccc(/C=N/c2ccc(Oc3ccc(/N=C/c4ccc(CC)cc4)cc3)cc2)cc1 27332810 QOPPUQIQAVENTH-RWRHWQIFSA-N 432.567 8.105 30 10 IKEE COc1ccc(C(=O)/N=C(/NCCc2c[nH]c3ccccc23)Nc2cc(C)ccc2C)cc1 32943334 HQCNXJZLQRTNGT-UHFFFAOYSA-N 440.547 5.234 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1cccc2ccccc12 40096156 BLKJKLOTPAZZLX-SSOJOUAXSA-N 441.527 5.542 30 10 IKEE C=CCc1ccc(OCCn2c(COc3ccccc3Cl)nc3ccccc32)c(OC)c1 40232934 IQMLSXRJTZAKHT-UHFFFAOYSA-N 448.950 6.085 30 10 IKEE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=S)Nc2ccccc2)CCC3)c(C)c1 40825099 WENJTDWZSBYDFD-VFCFBJKWSA-N 446.576 5.484 30 10 IKEE Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)c1C 59105961 CJHYTTMHYQYONR-NHDPSOOVSA-N 439.943 6.087 30 10 IKEE CCOc1ccc2nc(S[C@H](C(=O)Nc3ccc(C#N)cc3)c3ccccc3)sc2c1 59842560 AFQLVOIDRYHFPH-QFIPXVFZSA-N 445.569 6.039 30 10 IKEE O=C(/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)C(F)(F)F)c1ccccc1 83309336 IPUVTSRHBBZPAT-JWGURIENSA-N 446.428 5.937 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)OCC)cc2)cc1 100153961 NTILUKSKEKHACW-UHFFFAOYSA-N 442.581 5.339 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)S/C1=N/c1ccccn1 101123865 YAAPYWQDWWFVIR-NATJXCGNSA-N 430.316 5.882 30 10 IKEE CCCCCCCCOc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 105455149 GLAINVNODBHFLC-SZXQPVLSSA-N 437.584 7.075 30 10 IKEE CC1(C)Cc2c(sc(NC(=O)c3ccccc3Oc3ccccc3)c2C#N)C(C)(C)N1 108347904 XBCQXOJZCZKZGK-UHFFFAOYSA-N 431.561 5.824 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccc(OC)cc2)cc1 169924142 IQOGJQJNDGZMBH-VWLOTQADSA-N 441.527 5.657 30 10 IKEE CCN1C(=S)N[C@H](c2ccc(OCc3ccccc3Cl)cc2)C2=C1CCCC2=O 169932959 CRFNXKBEJSFBHH-JOCHJYFZSA-N 426.969 5.177 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccc(N(C)C)cc2)c1 169966844 BVEVCDMLTQBZJX-QHCPKHFHSA-N 446.934 5.497 30 10 IKEE CC(C)Oc1ccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2C2CCCC2)cc1 169979152 LEMCLGKGVNYYCM-DEOSSOPVSA-N 444.531 5.476 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2cccs2)cc1Cl 169986587 KCHPYCHHPUSOIU-LJQANCHMSA-N 444.339 6.146 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@@H]2c2ccccn2)ccc1F 169996877 DUNLARLNMPIJRI-OAQYLSRUSA-N 436.870 5.274 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccn1 169996881 BBIBHTPLBFPSFH-FQEVSTJZSA-N 439.298 5.480 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@@H]1c1ccncc1)c1ccc(Cl)cc1 170021113 CFHNANCBEDFMJZ-HSZRJFAPSA-N 440.886 5.671 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2ccc(C)cc2)cc1 170029212 ZYSJJUJGCLBLAT-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2C2CCCCC2)c1 170039336 FHNGZLOJYZNQAO-HSZRJFAPSA-N 437.511 5.444 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccc(F)cc2)c1 170061352 SXRDQVBGEAYILJ-JOCHJYFZSA-N 446.434 5.134 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccc(F)cc2)c1 170064284 FNHZAPPESYHYJE-QFIPXVFZSA-N 437.417 5.504 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2c[nH]c3ccccc23)c1 170074075 JGCPYDLAASBIDP-HSZRJFAPSA-N 442.446 5.099 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(OC(C)C)cc2)=C(N2CCC[C@H](C)C2)C1=O 170084347 ORMJRIHJRRSDPK-NRFANRHFSA-N 440.628 5.646 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2cccc(C)c2)cc1 170142225 HTPHLNLNWMEWHC-XMMPIXPASA-N 425.484 5.021 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1cccs1 170155214 RUGCPTLSUVYVOW-IBGZPJMESA-N 443.883 5.332 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2cccs2)c1 170157201 YCPMCFMPFLVGLI-OAQYLSRUSA-N 435.501 5.025 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(Cl)cc1 170236713 MYZCPNRIVSYZFG-HSZRJFAPSA-N 433.935 6.262 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(C(C)C)cc2)c1 170246114 LJVGRKZVZDMXKV-RUZDIDTESA-N 447.575 6.118 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2F)c1 170249044 HSTQDDLKSREVNV-QHCPKHFHSA-N 431.463 5.397 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1cn(C)c2ccccc12 170269159 ULRYIRLATWEWMY-DEOSSOPVSA-N 446.547 5.344 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2C)ccc1Cl 170278333 QUWDALUBIKMTRF-QFIPXVFZSA-N 439.939 5.568 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccco1 170284330 TWRGUZRAPUJZFN-LJQANCHMSA-N 428.271 5.678 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccco2)cc1 170286332 AVWIINVODGFNFR-QHCPKHFHSA-N 431.488 5.632 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(Cl)c3)[C@@H]2c2ccco2)c(C)c1 170289420 IRWRHPHAEZUODJ-FQEVSTJZSA-N 442.298 5.986 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1ccco1 170290205 TXKHWXBBLQZIAQ-HSZRJFAPSA-N 429.516 5.977 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)=C(O)C(=O)N1c1cccc(F)c1 170313721 QLKOQDQHMNGTSR-SPLOXXLWSA-N 449.503 5.302 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1c1ccc(C(C)(C)C)cc1 170333192 QMRVBOJQYRIWRI-QFIPXVFZSA-N 447.556 5.837 30 10 IKEE CCCCCCCCCC[C@@H](NN)c1cc(Br)sc1Br 232947084 KPNYGPAZJHKQNN-CYBMUJFWSA-N 426.262 6.308 30 10 IKEE CCOc1cc([N+](=O)[O-])cc(C=Nc2ccc3oc(-c4ccc(CC)cc4)nc3c2)c1O 252606801 GVJWOAQHORDAQX-UHFFFAOYSA-N 431.448 5.820 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccc(F)cc2C)nnc1C12CC3CC(CC(C3)C1)C2 253574968 UBPQABMVJSLYQP-UHFFFAOYSA-N 440.588 5.110 30 10 IKEE Cc1cc(C)c2oc(-c3ccc(N=Cc4cc([N+](=O)[O-])cc([N+](=O)[O-])c4O)cc3)nc2c1 254287111 JMHDBRYOUQFNJL-UHFFFAOYSA-N 432.392 5.384 30 10 IKEE CCCCCCCCCC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(OC)ccc4[C@@H]3CC[C@@]12C 256165500 XXXNFLRIRGXPDQ-YVESUCRWSA-N 440.668 7.604 30 10 IKEE C=C(C(C)C)[C@H](CC)CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 257377763 ALRMQDKADQHRGT-IFOOEFEZSA-N 440.756 8.581 30 10 IKEE CSc1nc(O)c(C(=O)N[C@@H](CCCCc2ccccc2)c2ccccc2)cc1C#N 479372409 RBQKLBBVSPMYHF-QFIPXVFZSA-N 431.561 5.265 30 10 IKEE CCOc1ccc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1OC 526487871 ATXUWFDOBMYPLH-JOCHJYFZSA-N 432.501 5.084 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccccn2)cc1Cl 526520610 ITEUFFVQVIXHQH-JOCHJYFZSA-N 431.879 5.063 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(O)c(Cl)c2)cc1 526773638 UBEPEGZJRXIKAB-QFIPXVFZSA-N 449.890 5.227 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1ccc(O)c(OC)c1 526815495 YSWHHKDRMPAHBK-YVNNLAQVSA-N 437.352 5.036 30 10 IKEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-c3ccccn3)nc2O)cc1Cl 609164851 YJXUWAVULANSRI-HXUWFJFHSA-N 440.890 5.410 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@@H](C#N)c1ccc(Cl)c(Br)c1 698962860 CDIOAJCIZNHDJP-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@H](C#N)c1cccc(F)c1Br 698982602 WEIVUVYJEOIXCG-MRXNPFEDSA-N 439.712 6.248 30 10 IKEE C=C(C)CC[C@H](NCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 708581504 CSMLGMPWCDZNPZ-RBUKOAKNSA-N 425.411 5.219 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@@H]2C[C@@H](CN2Cc2ccccc2)C1 716622509 VVAGRECJMSICHC-UMTXDNHDSA-N 447.579 5.384 30 10 IKEE O=C(CSc1ccc(C=Nc2nc3ccc([N+](=O)[O-])cc3s2)o1)Nc1ccccc1 1084458554 XUDDPEGCRSEGKL-UHFFFAOYSA-N 438.490 5.279 30 10 IKEE O=[N+]([O-])c1ccc(-n2c(-c3ccccc3)cc(C=Nc3ccccc3)c2-c2ccccc2)cc1 1084525400 PJXQOISFEQFHIP-UHFFFAOYSA-N 443.506 7.470 30 10 IKEE CCOc1cc(C=NNc2ccccc2)cc(Br)c1OCc1ccccc1 1084620075 KMEHHLIPHFJABG-UHFFFAOYSA-N 425.326 5.873 30 10 IKEE C=CCN1C(=O)/C(=C\c2c(Cl)cccc2Cl)S/C1=N/c1ccccc1C(=O)O 1614234297 ISEPCNKOMPXCLK-ZXMQTSGQSA-N 433.316 5.482 30 10 IKEE CN1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC1=Nc1ccccn1 1772730260 AUGQDERFFMFTDD-ZTPJVXOPSA-N 440.322 5.338 30 10 IKEE Fc1cc(-c2c(F)c(F)c(F)c(F)c2F)nc(-c2c(F)c(F)c(F)c(F)c2F)c1 1848358424 FEUKAYBCGCRPFH-UHFFFAOYSA-N 429.188 5.946 30 10 IKEE N#Cc1ccc(NC(=O)c2cc(-c3cc(Cl)ccc3Cl)n(Cc3ccccc3)n2)cc1 1859390870 JXONOYMLCWHIKH-UHFFFAOYSA-N 447.325 6.029 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)c1cc(OC)cc(OC)c1 1861486291 BAJPKBIKLHFEMG-QHCPKHFHSA-N 434.621 5.249 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)c1ccc(C(C)(C)C)cc1 1861810056 MASOGTNRLCHYMT-XMMPIXPASA-N 430.677 6.530 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc(C)cc2)cc1C 1862401358 ZIXGXVGBYVRJIH-JKHABCDFSA-N 433.548 5.469 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccccc2F)cc1C 1862402324 WQBJFBWJACOCOU-UYGSHGSRSA-N 437.511 5.300 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1cccc2ccccc12 1862405238 NKJVOVZYJKDMEA-BXKMTCNYSA-N 429.516 5.534 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1cccc(O)c1 1862411308 DVKCKQFWDRMWHA-PEBXRYMYSA-N 435.426 5.010 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCc3ccccc3)[C@@H]2c2ccc(C)cc2)cc1 1862475728 SXMKKQJTWQNTIC-AREMUKBSSA-N 439.555 5.905 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc2ccccc12 1862481073 WIPGMOHRALPTMA-XMMPIXPASA-N 429.516 5.153 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(C)cc1 1862486662 INAMVOGKWVFDSJ-RUZDIDTESA-N 441.527 5.399 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccc(F)cc2)c1 1862490232 QJFKWJTYKDYPNC-DEOSSOPVSA-N 433.523 5.911 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2cccc(O)c2)cc1 1862513861 AQTLPQIQGRXMQK-CUHUQNRHSA-N 449.547 5.338 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2ccc(CC)cc2)cc1 1862529038 BFEUEOBAFSUQLC-SANMLTNESA-N 439.555 5.898 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(C(C)C)cc1 1862616467 RYIMYBWNDYRAQZ-XMMPIXPASA-N 449.591 5.722 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc(C)c1 1862648915 MHCBQPFNXBOLMD-XMMPIXPASA-N 429.516 5.153 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1ccccc1Br)c1cccc2ccccc12 1862656810 OCCSZNLPGYYWQQ-NRFANRHFSA-N 448.316 5.343 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)c1 1862661218 UTQLMUSTQPGYAV-BFMBIBTESA-N 431.576 6.275 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)c1 1862661220 UTQLMUSTQPGYAV-HFRGRHLUSA-N 431.576 6.275 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(N(CC)CC)cc1 1862680024 SECCTEFFSCKSFB-HSZRJFAPSA-N 438.543 5.440 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(Cl)cc1Cl 1862689991 FAQLJBANBFYTOX-HXPMCKFVSA-N 434.319 5.379 30 10 IKEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2ccccc2)cc1 1862698223 DGTQEWMAPRXAST-MZNJEOGPSA-N 443.499 5.043 30 10 IKEE Cc1cc(C2=C(Nc3cccc(Cl)c3)C(=O)N(c3cccc(C#N)c3)C2=O)ccc1F 1863095362 RWBNYMDBTCJJTJ-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE CCCCCCCCNC1=C(c2ccc(OCC)cc2)C(=O)N(Cc2cccs2)C1=O 1863562682 BZMWVLUDNFIPIZ-UHFFFAOYSA-N 440.609 5.377 30 10 IKEE COc1ccc(/C=C(/C(=O)Nc2sc3c(c2C#N)CCCC3)c2ccccc2)cc1OC 1865913635 PMBCFSFRSCJWHX-XSFVSMFZSA-N 444.556 5.695 30 10 IKEE CCCN(CCCN(C)C)c1cc(Nc2ccc(C#N)cc2)nc(-c2ccccc2Cl)n1 1868426503 VQJOGYZNBJETHH-UHFFFAOYSA-N 449.002 5.580 30 10 IKEE Cc1nc(Nc2cccc(C#N)c2)cc(N2CC(C)(C)c3ccccc3[C@H]2c2ccccc2)n1 1868466807 DQXWKVZQFOLKNF-MUUNZHRXSA-N 445.570 6.288 30 10 IKEE CCCCCCCCC(=O)N1CC(Oc2ccc(C(=O)Nc3ccc(F)cc3)cc2)C1 1869902444 OQOLSFXOXIXVLJ-UHFFFAOYSA-N 426.532 5.418 30 10 IKEE CC(C)c1ccccc1OCCCC(=O)Nc1c(C#N)nnn1-c1cccc(C(C)(C)C)c1 1870157736 BIVHJZIRAUKSRH-UHFFFAOYSA-N 445.567 5.358 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(CC)cc2)cn1Cc1ccccc1F 1870467555 ZJSLPTMVCWLYIX-UHFFFAOYSA-N 446.566 5.351 30 10 IKEE CCCCCCCOc1cn(Cc2ccco2)c(CNc2ccc(C)c(F)c2)cc1=O 1870836656 OWVICTOXPPHPSE-UHFFFAOYSA-N 426.532 5.898 30 10 IKEE CCCCCCCCN1COc2c(cc3c(c2C)O/C(=C\c2ccc(OC)cc2)C3=O)C1 1871355356 GJHPCFDTQGBAGQ-IWIPYMOSSA-N 435.564 6.132 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O)/C(Cl)=C/c1ccccc1 1871377465 MIPVTEBQXYLABI-FFOWACNVSA-N 437.278 6.142 30 10 IKEE C=CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871389844 QPXCFZJIIQIBSQ-MCBOVYRESA-N 438.479 5.951 30 10 IKEE Cc1cc(O)c(CN(C)C2CCCCC2)c2c1C(=O)/C(=C/c1c(F)cccc1Cl)O2 1871393446 NHVFEZRCXFDJHN-MTJSOVHGSA-N 429.919 5.874 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4Cl)ccc3C2=O)cc1 1871404401 LGGZCKKDSGQCNV-YOBACFSGSA-N 433.891 5.671 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccccc4Cl)c3C)C2=O)cc1 1871404482 LRQJPEDWRCVURE-PGECNJAHSA-N 447.918 5.979 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccccc1 1872556365 DQZNHVJHVDEDDL-QHCPKHFHSA-N 428.598 5.068 30 10 IKEE C=CCOc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2ccc3ccccc3c2)cs1 1872760637 UHFAAEBBWYCUOX-NRFANRHFSA-N 440.524 5.783 30 10 IKEE N#C[C@H](C(=O)/C=C\c1ccc(Cl)cc1)c1nc(-c2ccc(Br)cc2)cs1 1872764883 AMCLAQMRIMORIF-TYIWRNDTSA-N 443.753 6.116 30 10 IKEE Cc1ccc(C)c(-c2csc([C@H](C#N)C(=O)CCCOc3ccc4ccccc4c3)n2)c1 1872771952 GNVZMJBIJXUUCI-XMMPIXPASA-N 440.568 6.616 30 10 IKEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccc(C(C)(C)C)cc3)n2)cc1C 1872783223 UWCAZNAGWWPSFK-QHCPKHFHSA-N 446.616 6.760 30 10 IKEE CCCCCCCCN1C(=O)C(NCCc2ccc(Cl)cc2)=C(c2ccccc2)C1=O 1873154442 WUECLQUXOFUCKV-UHFFFAOYSA-N 438.999 5.613 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccc(Cl)cc3Cl)c(=O)oc2c1C 1873946507 HOYFHWQYPHYHAC-UHFFFAOYSA-N 446.330 5.853 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CCc3cccc4ccccc34)nnc2SC)cc1 1874233456 KHNGBFPKOGFJRV-ZXVVBBHZSA-N 444.604 6.000 30 10 IKEE C(=N/n1c(CCCOc2ccccc2)nnc1SCCc1ccccc1)\c1ccco1 1874315960 UMZKOBOFSTYUMD-NCELDCMTSA-N 432.549 5.100 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2cccc(F)c2)n1/N=C/c1ccccc1F 1874393021 AZBACLSXAKIYLH-VSWHYLHOSA-N 434.515 5.883 30 10 IKEE Fc1ccccc1CSc1nnc(Cc2cccs2)n1/N=C/c1ccc(Cl)cc1 1874412374 LMOVOWJSAYCHCF-ZMOGYAJESA-N 442.972 5.897 30 10 IKEE CCOc1cccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2F)c1 1874416839 KMDPHALCDXWFDL-WPWMEQJKSA-N 446.551 5.581 30 10 IKEE Fc1cccc(CSc2nnc(-c3ccccc3)n2/N=C/c2cccc3ccccc23)c1 1874426824 CGHDFNODDQECLI-OGLMXYFKSA-N 438.531 6.412 30 10 IKEE C=CCSc1nnc([C@H]2CCCO2)n1/N=C/c1ccc(OCCCCCC)c(OC)c1 1874448661 ITCVGVPHAVLNLZ-HQXXTQMQSA-N 444.601 5.258 30 10 IKEE Cc1ccsc1/C=N/n1c(SCc2c(F)cccc2Cl)nnc1C1CCCC1 1874457746 DZWBACAUCMDMOH-FOKLQQMPSA-N 434.993 6.273 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2-c2ccco2)cc1 1874468550 MTVYVBCVQZLEPB-FOKLQQMPSA-N 445.331 5.725 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C(C)(C)C)cc1 1874484851 RCNKDDVIJJBWOK-WYMPLXKRSA-N 433.408 6.365 30 10 IKEE Clc1ccc(CSc2nnc(C3CC3)n2/N=C/c2ccccc2Cl)c(Cl)c1 1874523469 RBUQFNGXDUHQDR-AUEPDCJTSA-N 437.783 6.290 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(C)nnc2SCc2c(Cl)cccc2Cl)cc1 1874533333 DFJPAYCZAYYULP-ZMOGYAJESA-N 448.423 5.914 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OCc1ccc(Cl)cc1Cl 1874611088 AQWNDECDGNFXEH-YRNVUSSQSA-N 443.326 6.486 30 10 IKEE Cc1ccccc1COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1Br 1874613205 IGIHLCZWBHJGNF-WUXMJOGZSA-N 441.752 6.886 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc(Cl)c2)c(Br)c1)c1ccccc1 1874614314 FCMYCSSEYNYGCZ-PKNBQFBNSA-N 427.725 6.578 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3cc(OC)ccc3OC)cc2)cc1 1874619199 OSOHEKCXPBPFLR-OQLLNIDSSA-N 445.515 5.180 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2OC)ccc1OCc1ccc(C)cc1 1874632345 CUHCBAMTJKUCHI-GXDHUFHOSA-N 432.516 5.886 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2cccc3ccccc23)c1)c1ccc(Cl)c(Cl)c1 1874702808 KMPDTUBFMAEVRM-SDNWHVSQSA-N 447.317 7.262 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3cc(C)ccc3OC)c2)cc1OC 1874704794 ZVBLLYLCUAYLAB-PKNBQFBNSA-N 446.499 5.065 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OC(=O)Cc1cc(C)ccc1C 1874713872 RXQLBMBTZOCOLH-FMIVXFBMSA-N 428.528 5.973 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OC(=O)Cc1cccs1 1875095560 VZZBQAWFZLWAJK-UKTHLTGXSA-N 442.536 6.344 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)COc1ccccc1 1875098693 HRHAYTZAGPVGEQ-RVDMUPIBSA-N 442.511 5.455 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3Cl)cc2)cc1 1875111683 NWROINGKVKMMEK-CXUHLZMHSA-N 436.891 5.619 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(Cl)c1OC(=O)CC(C)(C)C 1875112728 HXPJZJNBNUYLOZ-KPKJPENVSA-N 430.928 5.985 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)c2cc(C)cc(C)c2)c([N+](=O)[O-])c1 1875119472 WQZJIMLAQBNRPV-CSKARUKUSA-N 431.444 5.336 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Br)c1OC(=O)c1ccco1 1875128531 IIDWBGWMZGBXKG-MDZDMXLPSA-N 427.250 5.166 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3ccncc3)c(OC)c2)cc1 1875129270 SGMRRZQKNQFTHW-RUDMXATFSA-N 437.879 5.258 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cccs3)c(OC)c2)cc1 1875139126 RZABAJWRCGQSRM-WUXMJOGZSA-N 436.529 5.590 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3ccccc3C)cc2)ccc1F 1875141041 KOUWLHNWXGFRIS-LFIBNONCSA-N 432.491 6.103 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)C3CCCC3)c(Br)c2)ccc1F 1875141793 VNWLTVKVDNIHDG-UXBLZVDNSA-N 431.301 5.888 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)cc3)c([N+](=O)[O-])c2)c1 1875144982 YOQNNHSKTYMXHM-IZZDOVSWSA-N 447.443 5.036 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1cccc(F)c1 1875151577 RPFZZADOLJGIAB-RMKNXTFCSA-N 434.419 5.068 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc4ccccc34)cc2Cl)cc1C 1875153899 DDZNORGGQBNFKO-SDNWHVSQSA-N 440.926 7.225 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1 1875154089 NVGPOFDJIXZBBA-LDADJPATSA-N 440.926 6.928 30 10 IKEE C[C@H](C(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1Cl)c1ccccc1 1875162952 XVBOEPJNRJABKM-USYSOWRXSA-N 426.846 6.223 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)Cc1ccc(F)c(C)c1 1875176771 OZCVLYMNCNEAJW-XYOKQWHBSA-N 446.518 6.194 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(C)c(C)c3)cc2)c(C)c1 1875182403 BJTTXGLEGFXYKR-UKTHLTGXSA-N 428.528 6.109 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc(Cl)c1OC(=O)C1CC1 1875184863 VFEXAHXOYDBSLJ-YRNVUSSQSA-N 426.940 6.166 30 10 IKEE CN1CCCN([C@@H](C#N)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CC1 1875685645 GGWWVLHFZVDXMS-SANMLTNESA-N 441.575 5.047 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3oc4c(C)c(OC)ccc4c3C)cc21 1890928310 FBXPRISNCVQOPA-UHFFFAOYSA-N 448.519 5.248 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CCC[C@@]2(C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)C1 1918313968 JSLCBRCTWJLPKE-DEOSSOPVSA-N 433.593 5.240 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 1922112889 OXXQKMMWPIKFPI-TUSQITKMSA-N 438.612 5.640 30 10 IKEE Cc1cc(Br)c(F)c([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)c1 1927537435 FZWZXWVQMHOZKF-SFHVURJKSA-N 439.369 6.421 30 10 IKEE CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 1941060312 ADLIESGZHYRKQK-WZONZLPQSA-N 435.540 5.399 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](CSC(C)C)NC(=O)OC(C)(C)C 1975720779 JBENJSHNSZLGIL-YADHBBJMSA-N 436.662 5.163 30 10 IKEE C#C[C@H](NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC)C(C)(C)C 1984778327 FWBLMXJTHMMAQK-WDNCENIBSA-N 446.591 5.104 30 10 IKEE C=CCC[C@H](C)[C@@H](NCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 1996467091 MYPONGLPFDCMIZ-JTHBVZDNSA-N 429.649 5.126 30 10 IKEE Cc1ccc(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 2008449892 VYRXANKNBJYCAF-JXQFQVJHSA-N 427.545 5.028 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(CCF)CCN(C(=O)OC(C)(C)C)C1 2023662918 YXFVWDHYBITHSG-WIOPSUGQSA-N 434.596 5.114 30 10 IKEE CCCCCCCC[C@H](NC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2041903412 QJRJBWMKTZWAAQ-RPLLCQBOSA-N 446.676 6.169 30 10 IKEE CC[C@@H]1[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)CC[C@@]1(C#N)NC(C)C 2058737665 KFTKAOUHSYTVGK-PKTNWEFCSA-N 432.656 5.070 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@H](C#N)[C@]1(C)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2078865045 KGNTXTCBNKTUHJ-DFBJGRDBSA-N 449.636 5.874 30 10 IKEE CCc1ccc([C@H](C(C)C)n2nc(C3CCC3)c(C#N)c2I)cc1 2079081896 XFBHUGLIGVYLIL-IBGZPJMESA-N 433.337 5.435 30 10 IKEE CC(C)(C)OC(=O)c1nn(-c2ccc(F)c(C(F)(F)F)c2)c(C(F)(F)F)c1Cl 2079183571 WRXPBSAYIADXRK-UHFFFAOYSA-N 432.723 5.658 30 10 IKEE C=CCCCCCCCCC[C@H](N)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2086280564 IROUNJLCZNKOCX-PZUNEJSGSA-N 446.676 6.509 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@H](C#N)c1cc(Cl)cc(Br)c1 2088227075 DYHDCZZPQMQJSJ-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Cl)c(Br)c1F 2097185064 YOKITVZWRNLITN-YOEHRIQHSA-N 449.792 5.752 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(F)cc(C)cc1Br 2116827271 ANMUIMDUZUNADF-FUHWJXTLSA-N 429.374 5.407 30 10 IKEE N#Cc1ccc(Br)cc1OCc1cc(Br)ccc1Br 2118523520 ZMQAEWVCHXCQFZ-UHFFFAOYSA-N 445.936 5.425 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](Cc2cccc(Br)c2Cl)NC)C1 2126687115 MPBKXWXGJMEYRM-MRXNPFEDSA-N 443.813 5.094 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCCCCCC1(F)F 2152778117 LQJFQPFUGYFRBG-LJQANCHMSA-N 443.332 6.442 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(C)cc(Br)c1F 2159127571 HURKSNGWZHNKAA-MJGOQNOKSA-N 441.385 5.244 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc(CCNc2cc(Br)c(C#N)cc2F)c1 2162342457 CFWPIEKMWLEWCS-UHFFFAOYSA-N 434.309 5.461 30 10 IKEE CN(Cc1ccc(Br)cc1C#N)[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21 2190469124 OMOWECNKBOBSSJ-XSEFMFLKSA-N 425.370 5.136 30 10 IKEE CCN[C@@H](C#Cc1cccc(Cl)c1)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 2212466502 LLNJQAPSRBQGEC-QHCPKHFHSA-N 426.988 5.497 30 10 IKEE Cc1ccc([C@@H](N)C#Cc2ccccc2Br)c(NC(=O)OC(C)(C)C)c1C 2235731488 QRENLARFQMSTGQ-IBGZPJMESA-N 429.358 5.464 30 10 IKEE CC1(C)OB(c2cccc(F)c2CN(Cc2ccccc2)Cc2cccs2)OC1(C)C 2260849695 YUKRWMSHAYUABN-UHFFFAOYSA-N 437.389 5.389 30 10 IKEE C=CCCC1([C@@H](NC)c2ccc(Br)c(F)c2)CN(C(=O)OC(C)(C)C)C1 2266307169 FGDSBCUJJXFEOM-KRWDZBQOSA-N 427.358 5.052 30 10 IKEE CCN1C(=O)C(=C2Sc3ccc(Cl)cc3N2CC)SC1=Nc1ccccc1OC 2295201872 JNEWENXKRSZFDP-UHFFFAOYSA-N 445.997 5.733 30 10 IKEE CN[C@H](C#Cc1cccc(Br)c1)c1ccc(C)c(NC(=O)OC(C)(C)C)c1 2296289806 VQEGEEZRCKJIBT-LJQANCHMSA-N 429.358 5.417 30 10 IKEE CC[C@@H](CCNC(=O)OC(C)(C)C)CC[C@H](C#Cc1ccc(Br)cc1)NC 2296307489 VEGRAEVBSDTMIU-YLJYHZDGSA-N 437.422 5.110 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@H](CCC)CNC(=O)OC(C)(C)C 2296310648 MCVBECRLTYQTNE-QUCCMNQESA-N 437.422 5.110 30 10 IKEE O=C1C(=Cc2ccc3c(c2)OCO3)SC(=NCc2ccccc2)N1Cc1ccccc1 2296455785 GPOYDCYYMULJQP-UHFFFAOYSA-N 428.513 5.088 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(OC(=O)c4ccccc4F)c3C)C2=O)c2ccccc21 2296872143 WKKKPHVCKBADSO-UHFFFAOYSA-N 441.458 5.944 30 10 IKEE CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(C(C)C)c(OC)cc2C)C1=O 2297315783 GZDZPZGFBRXNME-UHFFFAOYSA-N 437.561 5.671 30 10 IKEE C=CCN1C(=O)C(=C2SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21 2313617372 QCIZTZVYLKBASN-UHFFFAOYSA-N 447.368 5.302 30 10 IKEE O=C(C=Cc1c(Cl)cccc1Cl)c1ccc(OC(=O)c2ccc3c(c2)OCO3)cc1 2314429658 LOVJUIRHYKVAJI-UHFFFAOYSA-N 441.266 5.837 30 10 IKEE O=C(C=Cc1ccccc1)Oc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1 2314429996 TZNLXKDESOGCSM-UHFFFAOYSA-N 433.301 5.964 30 10 IKEE CCOC(=O)[C@H](Oc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O)c1ccccc1 2314438149 IZWGPLFQSZNKLX-XMMPIXPASA-N 434.875 5.639 30 10 IKEE Cc1ccc(COc2ccccc2C=Nn2c(S)nnc2CCc2ccccc2C)cc1 2321993855 YXFBRAHMNZXLEU-UHFFFAOYSA-N 442.588 5.430 30 10 IKEE CCCCCCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(C(C)C)cc1)C3=O 2322190814 XZTADXFKIOUNAQ-UHFFFAOYSA-N 447.619 7.247 30 10 IKEE COc1ccc([C@H](C)N2COc3ccc4c(c3C2)OC(=Cc2ccccc2F)C4=O)cc1 2322238782 OHHTVFJYQVWUSH-INIZCTEOSA-N 431.463 5.364 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2ccc(C)cc2)cc1 2322456018 VBBOPKQEWBQMCW-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(F)cc2F)c1OCC(=O)Nc1ccc(C)cc1 2322502596 NXSIREIWOZYWHG-UHFFFAOYSA-N 437.442 5.195 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2cccc(Cl)c2)c1OCc1cc(C)ccc1C 2322524919 AMQOIXAIENFMCQ-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OC(=O)c3ccc(Br)cc3)c2C)C1=O 2322708502 USLBMDKNNLLJIZ-UHFFFAOYSA-N 449.300 5.901 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(F)c(F)c2)c1OCC(=O)Nc1ccccc1F 2322785043 CNIONTDLKPMKCT-UHFFFAOYSA-N 441.405 5.026 30 10 IKEE C=CCOc1ccc(Br)cc1C=CC(=O)c1cc(Cl)cc(Cl)c1OC 2322828358 OAMLWTJIUPEIKJ-UHFFFAOYSA-N 442.136 6.225 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cc(Cl)ccc1OCc1cc(C)ccc1C 2322856514 REOAUXWTIVVEMD-UHFFFAOYSA-N 434.963 7.057 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1OCc1cc(C)ccc1C 2323189041 ZDTVJWJZSPWDLW-UHFFFAOYSA-N 428.572 7.085 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3ccccc3F)c2)cc1 2323195465 HTXUTAIKOOCIPI-UHFFFAOYSA-N 431.507 6.037 30 10 IKEE CCCCCCCCNC(=O)[C@@H](NC(=O)C=Cc1ccccc1Cl)c1ccccc1 2323379056 BTVAIWOUELTBFK-DEOSSOPVSA-N 426.988 5.687 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OCc1cc(C)ccc1C 2323433377 FAFCUBXSHPHOKL-UHFFFAOYSA-N 440.583 7.056 30 10 IKEE CCOc1cc(C=Nn2c(SC)nnc2C(C)C)ccc1OCc1ccccc1F 2323580499 ZQQMQVXFBWMHJT-UHFFFAOYSA-N 428.533 5.122 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OCC(=O)Nc1ccccc1 2323768041 DXOSNGYACFILGB-UHFFFAOYSA-N 435.907 5.652 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)c1 2323832063 HBTMZWGKBWJSNI-UHFFFAOYSA-N 443.499 5.377 30 10 IKEE Cc1ccc(C)c(COc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2[N+](=O)[O-])c1 2324161790 OMDPTZPUFVIGNO-UHFFFAOYSA-N 429.516 6.810 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc(OC)c1OCc1cccc(C)c1 2324364112 YWWPXVYZBFBNDQ-UHFFFAOYSA-N 446.543 6.113 30 10 IKEE CC(=O)c1cccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)c1 2325382816 CYGOYVFMJPJPOA-UHFFFAOYSA-N 447.874 5.176 30 10 IKEE COc1ccccc1C=C1Oc2cc(OCc3ccc(C(=O)OC(C)C)o3)cc(C)c2C1=O 2325387800 XOXKAHMTPXXSFR-UHFFFAOYSA-N 448.471 5.357 30 10 IKEE COc1cccc(NC(=O)COc2ccc3c(c2C)OC(=CC=Cc2ccccc2)C3=O)c1 2325576455 ZQGBUELYFPORCR-UHFFFAOYSA-N 441.483 5.194 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccccc3[N+](=O)[O-])c2)cc1 2325711234 UZKZGENUKNZDLO-UHFFFAOYSA-N 443.499 5.982 30 10 IKEE CC(C)COc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 2325722441 SCXHZFSUBHAMMJ-UHFFFAOYSA-N 445.471 5.745 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)COc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O 2325723419 OFBNRHZNEQUVLE-UHFFFAOYSA-N 445.902 5.838 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2)C3=O)cc1Cl 2325729324 DFSLKLGQYQCGHV-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE C=C(C)CSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1cccc(O)c1 2325912582 LWGPHFWLRQQIAF-UHFFFAOYSA-N 449.363 5.420 30 10 IKEE Cc1ccc(C=Nn2c(COCc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 2329312402 VLWPQQOWIKORPQ-UHFFFAOYSA-N 446.551 5.617 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)Cc2ccc(Cl)cc2)c(Cl)c1 2331059333 KNKBQVBDEKNSDL-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)Cc1cc(C)ccc1C 2331182788 NKTIEOQNEXNKPO-UHFFFAOYSA-N 440.539 6.085 30 10 IKEE COCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1c(OC)ccc2ccccc12 2331239238 XMZKYQKHMOVSLM-UHFFFAOYSA-N 446.576 5.112 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)c3sccc3C)c([N+](=O)[O-])c2)ccc1F 2331339458 IKMGUJNNRLVFKL-UHFFFAOYSA-N 425.437 5.528 30 10 IKEE CCCCc1nnc(SCC(=O)OCC(C)C)n1N=Cc1c(Cl)cccc1Cl 2331348544 HBGHVUCQSNZTRJ-UHFFFAOYSA-N 443.400 5.101 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)Cc2ccccc2)cc1 2331546015 SSJLIXRDZWESEV-UHFFFAOYSA-N 428.528 6.037 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OC(=O)CCOC 2331579808 JKZNQZTURLFLSY-UHFFFAOYSA-N 440.536 5.364 30 10 IKEE CCCOc1ccc(C=Nn2c(COC)nnc2SCc2cccc(Cl)c2)cc1 2331608588 JGZXDWRPMORXJA-UHFFFAOYSA-N 430.961 5.041 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)c1ccccn1 2331668710 OQRPRYVVCBNXAO-UHFFFAOYSA-N 431.488 5.221 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2ccc(OC(=O)C3CCCC3)c(OC)c2)cc1Cl 2331703408 DDNNTSZYMOCXKB-UHFFFAOYSA-N 444.911 5.358 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SCC(=O)OCC(C)C)nnc2C(C)C)cc1 2331708060 URQZAVWXUBJSKE-UHFFFAOYSA-N 446.617 5.144 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)Oc3ccc(Cl)cc3)cc2)c(C)c1 2331764399 LWPRMIMHQQEUFB-HXUWFJFHSA-N 448.946 6.534 30 10 IKEE CC[C@@H](N[C@H]1CCCN(Cc2ccccc2)CC1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363836688 PYBMFGALQNPZPE-IZZNHLLZSA-N 448.460 5.081 30 10 IKEE N[C@H](C#Cc1ccnn1C1CC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2367780618 GCNDRIMZPVAFMT-HHHXNRCGSA-N 449.554 5.428 30 10 IKEE Cc1cccc2oc(-c3cc(/N=C/c4ccc(-c5ccc(F)c(Cl)c5)o4)ccc3O)nc12 3114321 KALRXTCBYMIMOQ-XODNFHPESA-N 446.865 7.312 30 10 IKEE CCC(C)(C)c1ccc(Oc2ccc(/N=C/C=C3\N(C)c4ccccc4C3(C)C)cc2)cc1 3216080 QJFBBUIYMIBCDH-RPUFGILWSA-N 438.615 8.180 30 10 IKEE N#Cc1c(-c2ccccc2)cc(-c2cccs2)nc1SCCSCc1ccccc1 9993115 CEZGJJRVSPAFSA-UHFFFAOYSA-N 444.650 7.374 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 14466138 KPJZTYJQJPTTHP-YDIMBITNSA-N 440.996 5.529 30 10 IKEE C=CCNC(=O)c1cccc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@@H]1CC=C[C@@H]21 20753540 ZHAPOXRISCLZND-ZBAJWAEMSA-N 430.551 6.735 30 10 IKEE CCc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OC(C)C)c(OC)c2)C3)cc1 20881745 CKPJQPLAVSDZTM-LEWJYISDSA-N 433.548 5.049 30 10 IKEE CN(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(F)ccc2F)cc1 20882993 DURTUZJXYWYGNK-SOKVYYICSA-N 445.513 6.010 30 10 IKEE COc1ccc(-n2c(SCCCC#N)nc3sc4c(c3c2=O)CCCCC4)cc1 21128178 NYMXEEKGPFAYBL-UHFFFAOYSA-N 425.579 5.121 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccnc2)cc1 21253467 GGFNFFGMQTXBQC-CCLHPLFOSA-N 425.532 5.850 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)c1ccccc1Br 34954838 CJOCIAWDNRIASO-ACCUITESSA-N 437.289 5.573 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc3c(c2)OCO3)c1)c1ccc(-c2ccccc2)cc1 34955582 UPOCAGAKFVHPEV-OQLLNIDSSA-N 448.474 6.198 30 10 IKEE O=C1/C(=C\c2cc([N+](=O)[O-])ccc2Cl)CCC/C1=C\c1cc([N+](=O)[O-])ccc1Cl 35317108 MWEWOCIGOBYNOF-QRBCZBMESA-N 433.247 6.030 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(OCCCC)c(OC)c2)S/C1=N/c1cccc(C)n1 39863417 KHHMTYBFMRNFSR-UDYMOMHISA-N 437.565 5.368 30 10 IKEE C=CCOc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccccc2)cc1 39876385 BNIQVHONMPICAP-HSZRJFAPSA-N 427.431 5.247 30 10 IKEE C=CCc1ccccc1OCCCCn1c(COc2ccc(CC)cc2)nc2ccccc21 40235220 NPAIIPGIDJLLBL-UHFFFAOYSA-N 440.587 6.765 30 10 IKEE Cc1cc(O)c(CN2CCC(C)CC2)c2c1C(=O)/C(=C/c1ccc(-c3ccccc3)cc1)O2 41512870 LSJYROXVIRPHSQ-ONUIUJJFSA-N 439.555 6.216 30 10 IKEE Cc1c2c(cc3c1O/C(=C\C=C\c1ccccc1)C3=O)CN(CCc1cccs1)CO2 41588585 JBGZZJZKWODIPJ-DQAORXHQSA-N 429.541 5.624 30 10 IKEE Cc1ccc(C(=O)CSc2n[nH]c(N/N=C/c3cccc(Oc4ccccc4)c3)n2)cc1 58994692 MBDOAZSGNJDIQF-MFKUBSTISA-N 443.532 5.326 30 10 IKEE COc1ccccc1COc1ccc(C(F)(F)F)cc1/N=C/c1cccc(OC)c1O 59478056 AWGFOMIMVGDCBK-UVHMKAGCSA-N 431.410 5.758 30 10 IKEE CCOc1ccccc1N/C(=N/C(=O)c1ccccc1C)NCCc1c[nH]c2ccccc12 66437718 NMRFNBWCDQBMEC-UHFFFAOYSA-N 440.547 5.316 30 10 IKEE CCOc1ccccc1N/C(=N\C(=O)c1ccccc1)NCCc1c[nH]c2ccccc12 66437724 IEXSYUPJWJNYJB-UHFFFAOYSA-N 426.520 5.007 30 10 IKEE CC/C(C)=N/Nc1nc2cc(C)c(NC(=O)c3cccc(Br)c3)c(C)c2s1 78397726 IYDBUDXGJSIYJM-WYMPLXKRSA-N 445.386 6.126 30 10 IKEE Cc1sc2nc(Cc3ccccc3)n(Cc3cccc(C#N)c3)c(=O)c2c1-c1ccccc1 96534055 YODDAPXJYWXNOG-UHFFFAOYSA-N 447.563 5.944 30 10 IKEE O=S(=O)(c1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1)N1CCCCC1 100038005 RCKZRYMIWNDWHU-LGUFXXKBSA-N 434.561 5.191 30 10 IKEE O=C(NCc1ccccc1)c1c(/N=C/c2ccc(Br)o2)sc2c1CCCC2 100056746 MZNKDSQBDXWOFM-ZMOGYAJESA-N 443.366 5.663 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2ccc(C(=O)NC[C@H]3CCCO3)cc2)cc1 100301926 LOLHLQWTNGVNIQ-XMMPIXPASA-N 438.568 5.197 30 10 IKEE O=C1/C(=C\N(C(=O)c2cccc(Cl)c2)c2ccc(Cl)cc2)Sc2ccccc21 100396794 SCGKBQVRUNOTFJ-DEDYPNTBSA-N 426.324 6.470 30 10 IKEE CCCCCCCn1c(CCNC(=O)COc2ccc(Cl)cc2)nc2ccccc21 102142426 AHCKNSPIUBRLBC-UHFFFAOYSA-N 427.976 5.398 30 10 IKEE CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)C)cc2)cc1 102734617 COKJKTOCEYAQRT-FEYWKWKCSA-N 446.503 5.131 30 10 IKEE CSc1ccc(/C=C/C(=O)N2/C(=N\c3ccc(C)cc3)SCc3ccccc32)cc1 105070576 HYGJKYQQDMLYKN-CACCWIPXSA-N 430.598 6.698 30 10 IKEE CCCOc1c(Cl)cc(/C=N\n2c(Cc3ccccc3)nnc2SC)cc1OCC 169916135 RAIQXVLIJMWIFY-IWIPYMOSSA-N 444.988 5.314 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C)cc2C)cc1 169925769 ZTVMJAJHPKIIJP-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(Oc3ccc(C)cc3)cc2)NC(=S)N1C 169934808 DZJOLPJLNIJQNG-DEOSSOPVSA-N 428.557 5.805 30 10 IKEE Cc1ccc(COc2ccccc2/C=N\Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1 169943031 WDOBENRNXDPJEK-DICXZTSXSA-N 427.573 6.760 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2cccc(C)c2)c1 169966526 FIQBTWCZVTUNEP-XMMPIXPASA-N 443.499 5.185 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2cc(F)ccc2F)c1 169971517 AKWFRMQKVZJDLI-HSZRJFAPSA-N 444.437 5.537 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3O)[C@H]2c2cccs2)cc1C 169987327 HNLMTAGGULWPBT-FQEVSTJZSA-N 439.920 5.507 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@@H]2c2ccccn2)c(C)c1 169996720 IBJKKRRGNKDUGM-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccc(C)cc2)c1 170037099 HFPHIJUNHFRJCI-SANMLTNESA-N 441.527 5.496 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2ccccc2C)c1 170037165 NUQJAHPENLNECR-XMMPIXPASA-N 443.499 5.185 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2ccc(F)cc2)c1 170061495 HIICKWOPQWQFNU-XMMPIXPASA-N 443.474 5.160 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2cccc(O)c2)cc1 170082181 IKAFPCRFTDJDLH-QFIPXVFZSA-N 435.426 5.016 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]2c2ccco2)c1 170093952 YNSCVWZJADRITH-LJQANCHMSA-N 443.377 5.090 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)c(C)c2)[C@H]1c1ccc(O)cc1 170137532 UEZCVUADMVTZHI-HSZRJFAPSA-N 437.536 5.258 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccc(C)c2)cc1 170140628 NHADXEZQPLLEOR-HSZRJFAPSA-N 431.463 5.316 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccc(C)c2)cc1C 170140762 RXWLRXUPINIHCC-XMMPIXPASA-N 445.490 5.542 30 10 IKEE C=CCN1C(=O)C(Nc2cccc3ccccc23)=C(c2ccc(OCC(C)C)cc2)C1=O 170154137 XGMACAFUNMRFDP-UHFFFAOYSA-N 426.516 5.253 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@@H]1c1cccs1 170158617 DBGNWKPZJBOUNH-OAQYLSRUSA-N 437.492 5.296 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)cc1C 170159736 UHBMTWXMVHRNQH-QHCPKHFHSA-N 447.556 5.937 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@@H]2c2cccnc2)cc1 170189380 GSPFLCFHUREWAM-DEOSSOPVSA-N 442.515 5.269 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@H]1c1cccc(OCC)c1 170217924 JQHAAXRMPPXNKT-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccccc1)c1cccc2ccccc12 170221762 SRAVJDNFAJBPAQ-QHCPKHFHSA-N 425.509 5.680 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@H]1c1ccc(C(C)C)cc1 170245232 RMTCEDLTYKIPSI-JOCHJYFZSA-N 441.955 5.850 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1cccc(O)c1 170259794 KGVSZATUVIKSIV-HSZRJFAPSA-N 443.499 5.109 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@H]1c1cccc(O)c1 170263441 LSYBZUQKTWQJPB-HSZRJFAPSA-N 437.536 5.293 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccc2C)cc1 170271523 XDHKBYHZCKXIAY-XMMPIXPASA-N 427.500 5.485 30 10 IKEE COc1c(Cl)cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccco2)cc1Cl 170295733 LRUZHWGXKNXWFW-KRWDZBQOSA-N 436.291 5.116 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(C)o2)ccc1Cl 170310802 YVOKNZCKBVNFPJ-FQEVSTJZSA-N 429.900 5.161 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2sccc2C)c1 170319542 DFHXVPMUWGJDHO-HXUWFJFHSA-N 425.550 5.366 30 10 IKEE CC(C)CCCCOc1ccc(C=NN=Cc2ccc(OCCCCC(C)C)cc2)cc1 254452624 TXHYCHHZIMRKFD-UHFFFAOYSA-N 436.640 7.550 30 10 IKEE C[C@H]1[C@@H](OC(=O)c2cccs2)C[C@@H](N(C=O)C2CCCCC2)C[C@H]1C#CC(C)(C)C 409421811 FQCBDXRDFJWTSI-WKDRNLAYSA-N 429.626 5.529 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccc(Cl)c2)cc1 526514462 FXGCVZMGPGJINY-QHCPKHFHSA-N 430.891 5.668 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(Cl)cc2)cc1OC 526606998 RGDHQHWZESFUCC-HSZRJFAPSA-N 446.890 5.286 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)cc1 526709486 GOEIELCYRZILBD-HSZRJFAPSA-N 447.918 5.912 30 10 IKEE Clc1cccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2cccs2)c1 526812634 FEUVBOZPTPVVDP-IWIPYMOSSA-N 439.009 5.953 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccc(O)c(OC)c1 526817048 NQPHXKKQNXNAES-QRVIBDJDSA-N 430.961 5.163 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)NC2CCN(C(=O)Nc3ccccc3C)CC2)c1 585859867 NGPPPQGOMXINLZ-UHFFFAOYSA-N 434.584 5.259 30 10 IKEE C=CCOc1ccc([C@@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 687755099 IVSCMWOHTZDHGU-RUZDIDTESA-N 443.499 5.306 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCc3ccc(Br)cc32)c1 698419973 RJXQTZDOVDXSDZ-JOCHJYFZSA-N 427.342 5.864 30 10 IKEE COc1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)ccc1O 698483035 SQKQKFAWZJUQCH-MRXNPFEDSA-N 433.302 5.170 30 10 IKEE C=CCn1c(=S)sc2c(=O)n(Cc3csc(-c4ccc(Cl)cc4)n3)cnc21 808947855 LIKCXKJCZLEBDF-UHFFFAOYSA-N 432.983 5.000 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)CSc2n[nH]c(NN=C/C=C\c3ccccc3)n2)cc1 1084434783 OFVPVLZWFHBXQU-HXCZBYMSSA-N 434.569 5.160 30 10 IKEE COc1cc(Br)cc(C=Nc2ccc(OCc3cccc(F)c3)cc2)c1O 1565518848 JJNSZHQNBUIGFW-UHFFFAOYSA-N 430.273 5.632 30 10 IKEE CCCCCCCCCCCCCCCC(=O)Nc1ccc(/C=N/NC(N)=S)cc1 1615945037 ZXFVHYFMESWCFU-LHLOQNFPSA-N 432.678 6.274 30 10 IKEE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNc2oc(C)nc2C#N)cc1 1772721982 QXRZTCOSHHJEJI-UHFFFAOYSA-N 440.507 5.332 30 10 IKEE C/C(=C1\SC(=Nc2ccncc2Cl)N(C2CCCCC2)C1=O)c1ccc(N)cc1 1772734029 CGNCFGQGGLFOPT-RDJYZGLESA-N 426.973 5.644 30 10 IKEE CN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2)SC1=Nc1nccs1 1772736492 LIZYYGSOIMDABG-YIFJCWOOSA-N 441.965 5.609 30 10 IKEE CC[C@@H](C)c1ccccc1NC(=O)C(=O)/C=C/c1ccc(OCc2ccccc2)c(OC)c1 1860728746 UMFKOSMNZHKZEH-KETLNSEPSA-N 443.543 6.009 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)c1ccc(-c2ccccc2)cc1 1861480740 SDDULZSYQRPWEK-XMMPIXPASA-N 440.653 5.682 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(Cl)cc2)cc1 1862392526 ZUXACGJPWOQRRA-HSZRJFAPSA-N 437.967 6.204 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2cccc3ccccc23)cc1 1862397794 SLUDHPFOTNCHLP-RUZDIDTESA-N 443.543 5.407 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(C)cc1 1862413203 XUBFOKFAKLHRDX-XXBNENTESA-N 441.518 6.210 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(C(C)(C)C)cc1 1862435477 XCRSOTMXXDMDRH-QVKFZJNVSA-N 425.956 6.014 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(OCCCCC)cc1 1862439193 WNCQGWCBFSLVOE-QFIPXVFZSA-N 439.939 5.673 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(O)cc1 1862442462 JHOOKQFZZFVCAC-SIKLNZKXSA-N 441.955 5.983 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCc2ccccc2)cc1 1862444682 DRXKEILGAMMVCJ-HSZRJFAPSA-N 447.918 5.170 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862488448 ADYOPCYTRKVJLE-RUZDIDTESA-N 441.527 5.399 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2ccc(F)cc2)ccc1F 1862501775 KKAMZAZKJKPSBN-XMMPIXPASA-N 447.481 5.484 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cccc(F)c1 1862502007 OXMMDWFDZVNPRE-QHCPKHFHSA-N 449.453 5.060 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2cccc(F)c2)cc1 1862529559 HSGHDFAJEFJGKT-BXKMTCNYSA-N 429.491 5.728 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN(CC)CC)[C@@H]2c2cccc(C)c2)cc1 1862532594 HTDMABCFHYJNOP-RUZDIDTESA-N 448.607 5.258 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccccc2Br)cc1 1862540929 ZFZYNLKJSWJGHO-HXUWFJFHSA-N 442.353 5.246 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)cc1 1862563326 AOXLJSWANKOTHU-CUHUQNRHSA-N 448.563 5.215 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCCCCO)cc1 1862714807 HAUKMZHJAVQXRQ-VWLOTQADSA-N 443.543 5.143 30 10 IKEE O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(NC(=O)C(F)(F)F)c1 1866034205 KLFPNLROPJLNTF-UHFFFAOYSA-N 444.253 5.477 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)cc2Cl)c(=O)cc1CSc1ccccc1 1870232198 HPVMLJLGIXPXSC-UHFFFAOYSA-N 432.372 6.212 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)OCCC)c(=O)cc1CN1CCCCC1 1870334628 OALFZRYPPYKKLI-UHFFFAOYSA-N 448.648 5.307 30 10 IKEE CCCCCCCOc1cn(CCc2ccc(C)cc2)c(CN2CCC[C@@H](C)C2)cc1=O 1870412585 DGBQPCIQAMTKII-XMMPIXPASA-N 438.656 5.981 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2F)c(CN2C[C@@H](C)C[C@@H](C)C2)cc1=O 1870416983 XXDIZMHYTNFFHE-SZPZYZBQSA-N 442.619 5.863 30 10 IKEE C#CCOc1cn(CCc2c[nH]c3ccccc23)c(CNc2ccccc2C(C)C)cc1=O 1871006857 YXBUNIOXFMZBSV-UHFFFAOYSA-N 439.559 5.320 30 10 IKEE C=CCn1cc(OCCCCOc2ccccc2C)c(=O)cc1CNc1ccc(F)cc1 1871227919 LBFPISXYOHLBPI-UHFFFAOYSA-N 436.527 5.332 30 10 IKEE CCCCOCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1sccc1C)C3=O 1871350775 UMYLPBHDSIKVGK-MOSHPQCFSA-N 427.566 5.340 30 10 IKEE CCN(CC)CCCN1COc2c(cc3c(c2C)O/C(=C\C=C\c2ccccc2)C3=O)C1 1871355167 VRZWNSUUBUZHLJ-JXXLKEHMSA-N 432.564 5.051 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(-n5cccc5)cc4)c3C)C2=O)c1 1871384304 PGPJGNPSOQZWNS-UQQQWYQISA-N 435.479 5.930 30 10 IKEE Cc1c(O[C@@H](C)C(=O)Nc2ccccc2)ccc2c1O/C(=C\c1ccc(N(C)C)cc1)C2=O 1871406491 SBUDWQXYGZBLCV-WSLHGYQHSA-N 442.515 5.083 30 10 IKEE Cc1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccc(F)cc2)C3=O)c1C 1871414050 RBXHMUKTYIPFID-YNJLWJOVSA-N 445.490 5.773 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc(OCC(=O)Nc3cccc(C)c3)c2C)C1=O 1871456606 NHIFSYLFCDIWQG-IWIPYMOSSA-N 443.499 5.336 30 10 IKEE CCCCCCCCN=c1nc(N2C[C@@H](C)C[C@H](C)C2)[nH]c(=Nc2ccccc2CC)[nH]1 1871559220 OHDMDNGMFAMJJC-SFTDATJTSA-N 438.664 5.276 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(C(C)C)cc1)[C@H](C)CC)S(=O)(=O)c1cccs1 1871852710 VHGWHYRADTUNPB-DYESRHJHSA-N 434.627 5.102 30 10 IKEE C=CCN([C@@H](C(=O)Nc1cc(C)cc(C)c1)C(C)C)S(=O)(=O)c1c(C)cc(C)cc1C 1871986214 WORPPMYKPSSEST-HSZRJFAPSA-N 442.625 5.069 30 10 IKEE N#C[C@H](C(=O)Cc1c[nH]c2ccccc12)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872759538 RMTFUYDMIVWUAY-HSZRJFAPSA-N 433.536 6.377 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccc(Cl)cc3)n2)cc1 1872768353 QCEUFFVYMNTXPU-HXUWFJFHSA-N 440.952 5.898 30 10 IKEE COc1cc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)s3)n2)c(OC)cc1Cl 1872782188 GKVFMSPXLNMTMW-JTQLQIEISA-N 439.345 5.686 30 10 IKEE CCCCCCCCCCNC(=O)c1cccc(COc2cccc(Br)c2)c1 1872840388 MPGUNZKGPSVTMR-UHFFFAOYSA-N 446.429 6.899 30 10 IKEE C=CCSc1nnc(NC(=O)/C(=C/c2ccc(OC)c(OC)c2)c2ccccc2)s1 1873434652 JJEPYZHZOUIIAM-GHRIWEEISA-N 439.562 5.013 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3cccc(Cl)c3Cl)c(=O)oc2c1C 1873944596 XHVNHPFAIQXDCL-UHFFFAOYSA-N 446.330 5.853 30 10 IKEE CCSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1ccc(Cl)cc1 1874207789 VJECKNUMVGPWLT-CIAFOILYSA-N 435.778 5.279 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1ccc(N(C)C)cc1 1874329961 JGFWXZQWKPHAQH-WGOQTCKBSA-N 433.625 5.297 30 10 IKEE Clc1cccc(CSc2nnc(-c3ccccc3Cl)n2/N=C/c2ccccn2)c1 1874368034 LDBDHUIRPIUJJP-DHRITJCHSA-N 440.359 5.821 30 10 IKEE Clc1ccc(CSc2nnc(CCc3cccs3)n2/N=C/c2ccncc2)cc1 1874372355 VKRGRXRXEGGIJJ-ZVHZXABRSA-N 439.997 5.348 30 10 IKEE C(=N/n1c(Cc2ccccc2)nnc1SCc1cccc2ccccc12)\c1ccccn1 1874419119 ZEKINQJXPWQISE-MTDXEUNCSA-N 435.556 5.592 30 10 IKEE Oc1ccccc1/C=N/n1c(Cc2ccccc2)nnc1SCc1ccc(Cl)cc1 1874419189 CAYJYXBSILZNLB-MFKUBSTISA-N 434.952 5.402 30 10 IKEE COCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc(C(C)C)cc1 1874506214 SFPMGZVVOWBCPG-BHGWPJFGSA-N 449.407 6.029 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C(C)C)cc1 1874515680 KQJRVENJAXBXGR-MFKUBSTISA-N 443.016 6.408 30 10 IKEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccccc1OC(C)C 1874535659 QKYUZONBWYAURR-FOKLQQMPSA-N 435.380 5.855 30 10 IKEE Clc1ccccc1COc1ccccc1/C=N/n1cnnc1SCCc1ccccc1 1874539293 XDQYFZBRRDQBII-JVWAILMASA-N 448.979 5.728 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(Cl)cc2)c1OCc1c(F)cccc1Cl 1874578661 ZYBGDKPGUDECAE-JLHYYAGUSA-N 431.290 6.616 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1)c1ccc2c(c1)CCCC2 1874593103 SAQIRCKZIOMZMI-UKTHLTGXSA-N 437.366 7.347 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(OC)c1OCc1ccccc1F 1874604833 HSUMMAVTCGQTBN-DTQAZKPQSA-N 430.519 6.600 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2OC)o1 1874614743 XEALQADJBZQEBQ-NYYWCZLTSA-N 440.879 5.593 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCC(=O)N[C@H](C)c1ccccc1 1874616565 IDXSJWHOUIXTQK-CZIOWHBQSA-N 443.543 5.546 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3cccc4ccccc34)c(Cl)c2)cc1F 1874621764 STBAYLIZQUGLSE-FMIVXFBMSA-N 446.905 7.116 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1OC(=O)CC1CCCCC1 1874693651 PUWSWXYRRITXPL-RVDMUPIBSA-N 432.560 6.346 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(/C=C/C(=O)c3cc(C)ccc3OC)ccc2OC)c1 1874704316 ICOINYLBSOTOID-ZRDIBKRKSA-N 446.499 5.526 30 10 IKEE COc1cc(C(=O)/C=C/c2cccc(OC(=O)c3cccs3)c2)c(OC)cc1Cl 1874712062 QATDMWFAZANKTN-CMDGGOBGSA-N 428.893 5.534 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccc(F)c(F)c2)c1 1874716358 OIYOTDLBGQEEGG-RMKNXTFCSA-N 442.845 6.051 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(OC)c1OC(=O)c1sccc1C 1875104262 OCJWCROSEYBBKN-ZHACJKMWSA-N 448.540 5.918 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3Cl)cc2)c1 1875111578 LOMUQDBFSOGIAF-UKTHLTGXSA-N 436.891 5.401 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)Cc1cccs1 1875116173 OKGCZPSXCHLHCT-VZUCSPMQSA-N 437.473 5.099 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3F)c(OCC)c2)cc1 1875130899 XIPHPMPNZRAFRP-OQLLNIDSSA-N 434.463 5.738 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)c(F)c3F)cc2)cc1 1875137548 RONOTWOFPFICNT-LHHJGKSTSA-N 440.417 6.008 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(Cl)c1OC(=O)c1ccccn1 1875153566 NEAKNGZVYVBJHF-OUKQBFOZSA-N 443.886 6.012 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1)c1cccc2ccccc12 1875154299 XLBYLPBDGNLXDT-LVZFUZTISA-N 428.487 7.108 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)C3CCC3)c(Cl)c2)cc1C(C)C 1875162787 LKBKWECMKDBUSQ-CSKARUKUSA-N 426.940 6.382 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)CC(C)C)c(OC)c2)c(C)c1C 1875168000 RZJUACSNWNVELM-CSKARUKUSA-N 426.509 5.177 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)ccc1OC(=O)C(C)(C)C 1875188005 KKMLYADVENMIJE-SOFGYWHQSA-N 437.319 5.858 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N(CCC)CCC)n2CCOC 1875225843 KOKPQVPSFNCVHF-UHFFFAOYSA-N 431.625 5.112 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)[C@H](c3ccccc3)C3CCCCC3)ccc21 1890670288 ACBHHOMSBFKROS-RUZDIDTESA-N 446.591 5.927 30 10 IKEE N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)[C@@H](Sc3ccccc3)c3ccccc3)C2)c1 1891478387 OAJQYWJAVJXVCB-BWKNWUBXSA-N 443.572 5.104 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(F)c(Br)cc1F 1894881746 PUWWUHQFIWFIMD-SJORKVTESA-N 433.337 5.237 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C)NCC 1922117361 ZKQNRANEOBQLDC-NHYNNZIHSA-N 428.617 5.306 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 1944587888 GMWPWGPGOCIRES-WAIKUNEKSA-N 433.524 5.154 30 10 IKEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@@]1(C#N)CCC(F)(F)C[C@H]1OCc1ccccc1 1998814222 LQCHEYOVHYBBTF-VQIMIIECSA-N 448.432 5.453 30 10 IKEE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)c1ccc(C(F)(F)F)cc1C#N 2006274921 QDAHCYCOZCMKSW-UHFFFAOYSA-N 433.474 5.498 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@@H](C#N)[C@@]1(C)CCCN1C(=O)OC(C)(C)C 2020804614 QTLNEMKXDCGWGY-FDDCHVKYSA-N 433.524 5.249 30 10 IKEE C=CCCCCCC[C@@H](O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2026023714 JDHHDSSGNKGRLR-BVAGGSTKSA-N 431.617 5.718 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2ccc(NC(=O)OC(C)(C)C)cc2)c1 2031667603 QUQRLSICOWDPLA-NRFANRHFSA-N 437.540 6.348 30 10 IKEE CCCCCCCCCCCC[C@@H](N)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2034426243 KIDRKNXLYOGFKY-RPBOFIJWSA-N 448.692 6.735 30 10 IKEE CCCCCCCCCC[C@@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NC 2035471392 VOZHMKMFTWMSFD-LOSJGSFVSA-N 448.692 6.605 30 10 IKEE C=CC=C(SC)C(=O)CSc1nc2sc(C)c(C)c2c(=O)n1-c1ccccc1 2040470097 DIAHCWJBJROACT-UHFFFAOYSA-N 428.604 5.158 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2CC(C#N)(N(C(=O)OC(C)(C)C)C3CCCCCC3)C[C@H]2C1 2040989532 YQVXVIJFUCPHST-OALUTQOASA-N 447.620 5.486 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)C1(C#N)CC(CCNC(=O)OC(C)(C)C)C1 2056505009 YKWNZFKHRPHMQN-UHFFFAOYSA-N 445.560 5.024 30 10 IKEE C=C([C@@H](NCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)[Si](C)(C)C 2071263816 ZYGNZUAGZAHGIB-MUUNZHRXSA-N 445.679 6.929 30 10 IKEE Cc1ccc([C@@H](C(C)C)n2nc(C(F)F)c(C#N)c2I)cc1C 2079015523 VYKPKCPCEQFVPT-OAHLLOKOSA-N 429.252 5.159 30 10 IKEE CC(C)(C)[C@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)(F)F)c(C=NO)c1N 2079847210 PDDOOPTVCBVDQS-ZDUSSCGKSA-N 426.336 5.086 30 10 IKEE Cc1cc(C)c([C@@H](C2CCC2)n2nc(C(F)(F)F)c(C=NO)c2Br)c(C)c1 2079857699 DNOGPICKTNKFOL-MRXNPFEDSA-N 444.295 5.787 30 10 IKEE CCc1nn([C@@H](c2ccc(C(F)(F)F)c(F)c2)C2CCC2)c(Br)c1C#N 2079950528 GPSYBJIWWNRGAA-MRXNPFEDSA-N 430.243 5.627 30 10 IKEE Fc1ccc(C(F)(F)F)c(-c2c(C(F)(F)F)nn(C(F)(F)F)c2Br)c1 2080823418 OHGPTINPSZOXRS-UHFFFAOYSA-N 445.054 5.966 30 10 IKEE N#C[C@](CN(Cc1ccccc1)CC1CCCCC1)(NC1CC1)C1(Br)CC1 2206656990 HGEHKOVKKFMNGZ-HSZRJFAPSA-N 430.434 5.011 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C1 2214838220 PKBPMTONTFRIDI-QQMNAOGKSA-N 449.617 5.413 30 10 IKEE CN[C@H](C#Cc1ccccc1Br)c1ccc(NC(=O)OC(C)(C)C)c(C)c1 2235730796 KVWCZRVDLYZKBR-HXUWFJFHSA-N 429.358 5.417 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)[C@](C)(CCC)NC(=O)OC(C)(C)C 2235732486 SEJSZAUQAAMSLL-KNQAVFIVSA-N 437.422 5.252 30 10 IKEE CC1(C)OB(C=C2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)OC1(C)C 2241558028 DNQWIROSHJSYIK-UHFFFAOYSA-N 431.341 5.199 30 10 IKEE CCCCCCCCC[C@@H](C)NC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C 2252953811 UYWIFAPEGVOAIP-LJQANCHMSA-N 443.673 5.523 30 10 IKEE C=CCCC1(C(=O)Cc2cc(Cl)cc(Br)c2)CN(C(=O)OC(C)(C)C)C1 2266217346 SLMQFGIWWODHDF-UHFFFAOYSA-N 442.781 5.417 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(C#N)cc2Br)C[C@@H]1C(F)(F)F 2279227043 DZYPEJHFQZHXTR-SWLSCSKDSA-N 448.283 5.063 30 10 IKEE C=CCCC1([C@@H](NCC)c2ccc(Br)cc2F)CN(C(=O)OC(C)(C)C)C1 2281056780 VEFLBVQZIQFZKP-SFHVURJKSA-N 441.385 5.442 30 10 IKEE Cc1ccc(N=C2SC(=Cc3ccc(N(C)C)cc3)C(=O)N2Cc2ccccc2)cc1 2293746726 PFHVPONELDKSGE-UHFFFAOYSA-N 427.573 5.865 30 10 IKEE CC(C)(C)OC(=O)Nc1c(Cl)cc([C@@H](N)C#Cc2ccccc2Cl)cc1Cl 2295219310 LPQRFQAYKGSLMV-KRWDZBQOSA-N 425.743 6.045 30 10 IKEE O=C1C(=Cc2c(Cl)cccc2Cl)Oc2cc(OS(=O)(=O)c3ccccc3)ccc21 2296871242 GPQRKZJRYOKPNK-UHFFFAOYSA-N 447.295 5.377 30 10 IKEE Cc1cccc(N=C2SC(=Cc3c[nH]c4ccc(Br)cc34)C(=O)N2C)c1C 2297462959 MPHGYVPESXJXRT-UHFFFAOYSA-N 440.366 5.781 30 10 IKEE COc1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3)c(O)c2C(C)=Nc2ccccc2)cc1 2297747036 WKNZYFPSUUJKKD-UHFFFAOYSA-N 428.448 5.302 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)c3ccccc3Br)ccc2C1=O 2314437487 NRDVLXNBQGJNPY-UHFFFAOYSA-N 435.273 5.593 30 10 IKEE CSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1N=Cc1ccc(F)cc1 2321347322 QQHCYFCEAOXTRU-UHFFFAOYSA-N 439.343 5.340 30 10 IKEE C[C@H](c1ccccc1)c1nnc(S)n1N=Cc1ccc(OCc2cccc(Cl)c2)cc1 2321962145 SOQJXIHTLBFAMX-QGZVFWFLSA-N 448.979 5.833 30 10 IKEE Cc1ccccc1CCc1nnc(S)n1N=Cc1ccc(OCc2ccccc2F)cc1 2321993820 NEGMFLSDTLYVMS-UHFFFAOYSA-N 446.551 5.261 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1COc2ccc3c(c2C1)OC(=Cc1ccc(Cl)c(Cl)c1)C3=O 2322145980 HXKQTUOSBTUCJS-VLIAUNLRSA-N 444.358 6.340 30 10 IKEE Cc1cccc(NC(=O)COc2ccccc2C=CC(=O)c2ccc(-c3ccccc3)cc2)c1 2322288912 XUXCUEUWXDOXFP-UHFFFAOYSA-N 447.534 6.576 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc(CC)cc1 2322359590 NTEKWZCIBHJPNA-UHFFFAOYSA-N 427.972 5.826 30 10 IKEE CCc1ccc([C@@H](C)N2COc3c(cc4c(c3C)OC(=Cc3cccc(F)c3)C4=O)C2)cc1 2322455497 SZXOETKYTMRLIX-GOSISDBHSA-N 443.518 6.226 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(F)cc2)c1OCc1ccccc1Cl 2322748257 HKHOCLGWUQCFRY-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE CCCN(CCC)C(=O)COc1cccc(C=CC(=O)c2ccc(Br)cc2)c1 2323081491 BXFINSSZKITQPW-UHFFFAOYSA-N 444.369 5.373 30 10 IKEE COc1ccccc1OCC(=O)Oc1ccc2c(c1C)OC(=CC=Cc1ccccc1)C2=O 2323126243 KCBOHIBHSQDPCV-UHFFFAOYSA-N 442.467 5.160 30 10 IKEE Cc1cc(OC(=O)C=Cc2cccs2)cc2c1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)O2 2323529467 CIMNGQNUPYKVMM-UHFFFAOYSA-N 433.441 5.200 30 10 IKEE Cc1cc(OC(=O)c2cccc(OCC(C)C)c2)cc2c1C(=O)C(=Cc1cccnc1)O2 2323579998 CHRYNICQOVSJKA-UHFFFAOYSA-N 429.472 5.260 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)cc(Cl)c1OCc1cccc(F)c1 2323702523 POSYNGUWFCVMEC-UHFFFAOYSA-N 440.898 6.362 30 10 IKEE CCOc1ccc(C=NNc2nc(-c3ccc(OC)cc3OC)cs2)cc1OCC 2323865804 DXFRJFRLFTYECT-UHFFFAOYSA-N 427.526 5.071 30 10 IKEE CCCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(C)o2)C3=O)c1 2323921715 NITVABYYBJWEIX-UHFFFAOYSA-N 446.455 5.437 30 10 IKEE Cc1cccc(COc2ccc(C=CC(=O)c3ccc(F)c(F)c3)cc2Br)c1 2324241688 NBAHEILIXPHZOW-UHFFFAOYSA-N 443.287 6.511 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2cccc(F)c2)C3=O)c(C)c1 2324494507 SZOHDJOKQPQXTG-GOSISDBHSA-N 445.490 5.773 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1cc(Br)ccc1O 2325544293 JEIVKORRGBTUEN-UHFFFAOYSA-N 449.349 5.012 30 10 IKEE Cc1cccc(COc2cc(C)c3c(c2)OC(=Cc2ccccc2Br)C3=O)c1 2325720723 XRXFIYHQAPSHLU-UHFFFAOYSA-N 435.317 6.261 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc3c(c2C)OC(=CC=Cc2ccccc2)C3=O)c1 2325741111 KJJHNEQCIWHLIL-UHFFFAOYSA-N 439.511 5.802 30 10 IKEE CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1cc(Cl)ccc1O 2326112612 WCFVEUIUEMUJPX-UHFFFAOYSA-N 437.352 5.090 30 10 IKEE CCOc1ccc(OCc2nnc(SC)n2N=Cc2c(OC)ccc3ccccc23)cc1 2326629318 QOMGOHHTAZRKHH-UHFFFAOYSA-N 448.548 5.022 30 10 IKEE CCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1c(Cl)cccc1Cl 2327739344 REAFUFHZKPJIQD-UHFFFAOYSA-N 441.387 6.323 30 10 IKEE COc1ccc(OCc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccccc2)cc1 2328355786 YXDJEVIWOQCVII-UHFFFAOYSA-N 448.523 5.179 30 10 IKEE COc1ccc(Cc2nnc(SC)n2N=Cc2cccc(OCc3ccccc3)c2)cc1 2329241171 DYJQJXUJQPZFGA-UHFFFAOYSA-N 444.560 5.061 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1ccc(OCCC)cc1 2329420252 PKLUABGOSWFAAY-UHFFFAOYSA-N 434.609 5.825 30 10 IKEE C=CCSc1nnc(CCc2ccccc2C)n1N=Cc1ccc(Br)cc1 2329489972 ITAYZLBVFWKQRM-UHFFFAOYSA-N 441.398 5.295 30 10 IKEE COc1ccc(C=Nn2c(CCc3cccs3)nnc2SCc2ccc(C)cc2)cc1 2329629246 RHHXGGRRTKRCSO-UHFFFAOYSA-N 448.617 5.616 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2cccc(C)c2)nnc1-c1ccccc1 2330646845 GZVRKIWBDOQADX-UHFFFAOYSA-N 440.572 5.993 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C2CCCC2)c(Br)c1)c1ccc2ccccc2c1 2330664340 IPCUUMBLOWAGAW-UHFFFAOYSA-N 449.344 6.594 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OC(=O)COc1ccccc1 2330675231 SSKPMJCYYUUDQG-UHFFFAOYSA-N 438.479 5.729 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)cc(Cl)c1OC(=O)c1ccccc1C 2330752594 XCVXNAWEFOKFOT-UHFFFAOYSA-N 448.946 6.725 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)ccc1OC(=O)COCc1ccccc1 2330795244 ZWZIMPFKVBWIGV-UHFFFAOYSA-N 446.499 5.112 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3)c(OC)c2)cc1 2330849533 HEGNGWNKFJCKSU-UHFFFAOYSA-N 442.555 6.472 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2)cc(Cl)c1OC(=O)c1ccco1 2330867539 HIODBYAEIIDJHC-UHFFFAOYSA-N 440.879 5.764 30 10 IKEE Fc1ccccc1CSc1nnc([C@@H]2CCCO2)n1N=Cc1c(F)cccc1Cl 2330961163 VPALEACVXKJZCE-SFHVURJKSA-N 434.899 5.236 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2[C@@H]2CCCO2)cc1 2331001080 VQHMOLVBCKOLBT-NRFANRHFSA-N 441.000 6.081 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccccc2OC)cc1Br 2331065999 GMFJRMOIZGQPQE-UHFFFAOYSA-N 445.353 6.230 30 10 IKEE C[C@H](C(=O)Oc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1Cl)c1ccccc1 2331123108 DYFYIMFVBJIOSR-INIZCTEOSA-N 425.311 6.599 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C(F)(F)F)c(Br)c1)c1cccc(Cl)c1 2331123645 AGXISJJWUNXFIP-UHFFFAOYSA-N 433.607 5.466 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2[N+](=O)[O-])c1 2331170464 XEIPKFSFRKPJLE-UHFFFAOYSA-N 431.444 5.038 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1[N+](=O)[O-] 2331322934 KMLPPXACOGLZNF-UHFFFAOYSA-N 437.536 6.764 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)cc(Cl)c1OC(=O)C1CCC1 2331364127 LIBYABYENVXWSW-UHFFFAOYSA-N 428.912 5.657 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(CC(C)C)nnc1SCc1ccc(F)cc1 2331434791 YTMCPLSIZLAZDC-UHFFFAOYSA-N 448.567 5.952 30 10 IKEE CC(C)Cc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1cccc(Cl)c1 2331477245 ADYDVYDHUHSWBG-UHFFFAOYSA-N 437.371 6.097 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)c1ccccc1OC 2331539832 YRQCKRSTCCARCM-UHFFFAOYSA-N 446.474 5.687 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1ccccc1OC 2331709611 PXWHYUTVKDFQMK-UHFFFAOYSA-N 430.500 5.826 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)c(OC)cc2C)cc(Br)c1OC(C)=O 2331854112 MADQHTKOIQJVSJ-UHFFFAOYSA-N 447.325 5.295 30 10 IKEE CC[C@@H](N[C@H](C)c1cnn(Cc2ccccc2)c1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363830770 PYNUKOKWCHCKAA-CJFMBICVSA-N 445.416 5.033 30 10 IKEE CN(Cc1ccccc1)CC1CCN(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CC1 2365110137 LYFNLGUVSTVZKR-UHFFFAOYSA-N 447.432 5.075 30 10 IKEE N#Cc1cccc(N2C=C(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccc(F)cc32)c1 32984399 DWMDGFJNEUAEOW-UHFFFAOYSA-N 438.867 5.000 30 10 IKEE Cc1ccc(C(C)(C)C)cc1SCC(=O)Nc1sc2c(c1C#N)CCCCCC2 33765835 BRAHDKPNOPKKSA-UHFFFAOYSA-N 426.651 6.616 30 10 IKEE N#Cc1c(NC(=O)/C=C\c2cn(-c3ccccc3)nc2-c2cccs2)sc2c1CCC2 34720735 VDYUCVTWYBSOLJ-QXMHVHEDSA-N 442.569 5.675 30 10 IKEE COc1ccccc1/C=C1\Oc2c(ccc3c2CN(CCCc2ccccc2)CO3)C1=O 41653612 ABWNAVIMJLENHE-XYGWBWBKSA-N 427.500 5.096 30 10 IKEE C=C(C)COc1ccc2ccccc2c1[C@@H]1Nc2ccccc2C(=O)N1Cc1ccccc1 66133061 PQHNIHNSUBVJRH-MUUNZHRXSA-N 434.539 6.561 30 10 IKEE C=C(C)[C@H](O)CC[C@](C)(O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@H]1[C@H]2CC[C@H]2C(C)(C)C(=O)CC[C@]12C 87493079 SCSPVSFAVCLWPP-IKWZPBRWSA-N 444.700 6.319 30 10 IKEE CCCCCCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(C)c(C)c2)c1 98022874 ZZGAGWVMZOCRLO-AREMUKBSSA-N 438.637 6.771 30 10 IKEE CCCCCCCOc1ccc(NC(=O)c2ccccc2OCCc2ccccc2)cc1 100241505 FNFZLEPKOFPUBS-UHFFFAOYSA-N 431.576 6.910 30 10 IKEE Cc1ccc(C(=O)O/N=C2/C[C@@]3(C(=O)Nc4cc(C)cc(C)c4)CC[C@@]2(C)C3(C)C)cc1 100962449 WAGRLVNGFRPBQA-QXOXRTFWSA-N 432.564 5.980 30 10 IKEE O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2ccc(F)cc2)/C1=C(/O)c1ccccc1 102619231 JZXZXNHFOCTHJU-GOBJLOIFSA-N 441.380 5.471 30 10 IKEE CCCCN1C(=O)C(=O)/C(=C(\O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Br)cc1 103107742 DNSKRIVHMVOPGI-VZCCSQPZSA-N 448.744 5.324 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2c2ccccc2C)cc1 169926392 SVMCDTHYVNPMEU-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 169936819 HTKMGNDQWMLAKS-HXUWFJFHSA-N 435.376 5.296 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\Nc2nc(CC(=O)OC)cs2)cc1OC 169940216 ABTUHXMOVVJCJY-JLPGSUDCSA-N 447.601 5.443 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccc(F)cc2)c1 169972482 NMDSLAOQDYSBNC-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@@H]2c2ccccn2)cc1 169996895 CIVYPJFVRZBMGR-JOCHJYFZSA-N 448.906 5.225 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1c[nH]c2ccccc12)c1cc2ccccc2o1 170077467 AFZQJTCHPXYJAC-XMMPIXPASA-N 449.466 5.088 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1ccc(N(C)C)cc1 170087203 OOIWKJHLIRYKPH-QHCPKHFHSA-N 446.934 5.497 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1cccs1 170161385 AWLCJXMXXSMYFM-QFIPXVFZSA-N 433.529 5.627 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccccc1F)c1ccc2c(c1)CCCC2 170251589 OHIALVVPTTUEQY-DEOSSOPVSA-N 433.523 5.616 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccccc1F)c1ccc2ccccc2c1 170251699 FUDOAQTWGUKBRT-DEOSSOPVSA-N 429.491 5.890 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccccc1F 170253259 IERLBMKTMODWET-QHCPKHFHSA-N 439.527 5.629 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccco2)cc1C(C)C 170284954 SOFOZWOXDIKRLP-XMMPIXPASA-N 445.515 5.811 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccco2)c1 170285677 WTMAKXLRGAIDNZ-QHCPKHFHSA-N 431.488 5.467 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccco2)cc1Cl 170286915 AXSPXFWRFCCZPV-IBGZPJMESA-N 444.270 5.378 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2ccco2)cc1C 170290578 YLBTWSMEMIKNBJ-NRFANRHFSA-N 439.414 5.048 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccco2)ccc1OCC(C)C 170293354 PGCLGVILMVWFCJ-HSZRJFAPSA-N 437.536 5.534 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(C)o2)ccc1Cl 170303679 BFXCULXKCMGOMC-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1sccc1C 170314524 RNLWHILUSMLEQD-HXUWFJFHSA-N 449.528 5.170 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(OCC)c2)cc1 170359569 WYIBRLUGDKBXRB-XMMPIXPASA-N 443.499 5.267 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C(C)(C)C)cc2)cc1 170390623 VDZBMOQUPVSXRD-QHCPKHFHSA-N 429.516 5.922 30 10 IKEE Cc1cc(C)c(N=C2S[C@H](CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2C)c(C)c1 252599732 DKUIRAHKCVKKRS-QGZVFWFLSA-N 449.498 5.221 30 10 IKEE O=C(COc1ccc(Cl)cc1)N=C1c2ccccc2CN1c1cccc(C(F)(F)F)c1 254392762 BLTWDOOZLGRMNM-UHFFFAOYSA-N 444.840 5.731 30 10 IKEE CC[C@H](C)c1ccc(OCCCOc2ccccc2C=NNc2ccc([N+](=O)[O-])cc2)cc1 254615944 ZEOQAZHMZKHYCM-FQEVSTJZSA-N 447.535 6.402 30 10 IKEE CN1/C(=C2\SC(=Nc3ccc(F)cc3)N(c3ccc(O)cc3)C2=O)Sc2ccccc21 254849692 RXXRJWWFBRVIFN-CVJJEBQVSA-N 449.532 5.710 30 10 IKEE CC(C)COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccs2)cc1 526487564 BMHJNQRPFXVVAT-HSZRJFAPSA-N 430.529 5.712 30 10 IKEE Cc1ccc([C@H]2C(c3ccc(Cl)cc3Cl)=C(O)C(=O)N2c2ccc(C#N)cc2)o1 526489831 JQVOAGPHPMEILX-FQEVSTJZSA-N 425.271 5.824 30 10 IKEE CCCOc1cccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)c1 526515196 IBZQIRBSCXYONF-XMMPIXPASA-N 428.463 5.543 30 10 IKEE CN(C)c1ccc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526605603 CWOQAABXUFUDPK-HSZRJFAPSA-N 429.907 5.335 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Oc3ccccc3)cc2)[C@H]1c1ccccc1)c1ccccc1 526773052 NZXARIXONOIJDC-SANMLTNESA-N 447.490 6.262 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1cccc([N+](=O)[O-])c1 526807787 CDPDRUFJYIFLKL-XKZIYDEJSA-N 429.933 5.357 30 10 IKEE Cc1cccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccc([N+](=O)[O-])cc2)c1 526829446 JJJMWWPPWXGPSZ-XYGWBWBKSA-N 443.532 5.260 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3)cc2C=NN=c2sc3ccccc3n2C)cc1 606347214 SUJKNPSDMCLOGD-UHFFFAOYSA-N 439.544 5.036 30 10 IKEE CC1(C)O[C@H]2C(=O)C=C(COCC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H]2O1 642882966 ZHBFUVNCOHXMAI-SXOMAYOGSA-N 440.539 5.067 30 10 IKEE N#Cc1ccc(Nc2nc(Br)c(Br)s2)c(Br)c1 686908208 YGXUFDKSFWZWAR-UHFFFAOYSA-N 437.942 5.046 30 10 IKEE C[C@H]1N(C(=O)OC(C)(C)C)CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 698829281 QEKDAYVOIAHRJT-WAIKUNEKSA-N 433.524 5.249 30 10 IKEE CCCN[C@H](CC#CC(C)(C)C)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 705509576 FWVITJOTMPBZRV-WWNPGLIZSA-N 430.633 5.293 30 10 IKEE O/N=C\c1cc(Br)cc(Br)c1OCc1cccc2ccccc12 953082254 JWTORVUUFFXOCS-FBHDLOMBSA-N 435.115 5.752 30 10 IKEE C[C@@H](CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)C(=O)O 1848438093 BQGIGUVHOKYXEI-BIPGKEHUSA-N 428.613 5.408 30 10 IKEE N#Cc1cccc(NC(=O)Oc2ccc(CNC(=O)/C=C/c3ccc(Cl)cc3)cc2)c1 1858901763 QCBICSLUZPPQDN-MDWZMJQESA-N 431.879 5.152 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccccc1)c1ccc(Cl)cc1Cl 1862379779 KRBVKEGONPKDRC-IBGZPJMESA-N 428.271 5.365 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1F 1862413678 IMIBWSYRKZVYHT-JOCHJYFZSA-N 443.465 5.795 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862429371 LPAOYEVIDUPPOP-QHCPKHFHSA-N 431.919 5.735 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)c1 1862431442 HMMNINZQJCPZOV-UPKQVVFYSA-N 439.939 5.506 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862438134 HQWNGBXSGOPCHI-VOJFVSQTSA-N 449.290 5.278 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(OCc2ccccc2)cc1 1862440294 LGZOHAXICMSICR-HSZRJFAPSA-N 447.918 5.517 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(C(F)(F)F)cc1 1862444086 SVFRLYSIXIPGSJ-SGTLLEGYSA-N 437.845 5.736 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1cccc(Cl)c1 1862464148 PTHAKKXMEDWXCP-IBGZPJMESA-N 437.845 5.382 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccccc1Cl 1862470366 MECFFMVAQHRWSN-KPZWWZAWSA-N 448.744 5.479 30 10 IKEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc(C)c2)cc1 1862475563 PKLUZOIXZSCLPI-DFBJGRDBSA-N 441.527 5.652 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccccn2)cc1 1862489117 PUSOUZPBNOSZOR-XMMPIXPASA-N 426.516 5.039 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2cccc(O)c2)c1 1862489849 IRSPFMQNSWTLOR-VWLOTQADSA-N 441.527 5.220 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(F)cc2F)c1 1862491428 SKWBQNRCASUNIW-NRFANRHFSA-N 439.483 5.422 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862501470 CWCSVRNNZKYSSP-BXKMTCNYSA-N 445.490 5.482 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(Cl)cc1Cl 1862552853 DFXIRZGRPGTNAY-OAQYLSRUSA-N 442.342 5.637 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@H]1c1ccc(Cl)cc1)c1cccc(O)c1 1862591075 COXMEVBMWJMVAX-QFIPXVFZSA-N 437.923 5.514 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1cccc2ccccc12 1862592514 FEGURFCJXQUMNQ-DWXRJYCRSA-N 449.506 5.885 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 1862614727 FMSVTMILCALWKW-XMMPIXPASA-N 440.543 5.466 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccccc1Cl 1862618048 OAKAJEIKPHQOHN-VFNWGFHPSA-N 425.956 6.014 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2cccc(C)c2)cc1F 1862636802 OROJGWCNGGNSKC-HSZRJFAPSA-N 449.453 5.060 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2Cl)cc1 1862659770 AFVZYXLWECVVPU-HSZRJFAPSA-N 446.934 5.637 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccc(Cl)cc2)cc1 1862662675 KQPVSLKIHMSCAQ-QHCPKHFHSA-N 446.934 5.637 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCc2ccc(Cl)cc2)cc1 1862673060 BFUIZESTVAUWNX-HSZRJFAPSA-N 449.909 5.609 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc(F)c1 1862674273 UZGODYZYKAUMSH-QFIPXVFZSA-N 427.491 5.904 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccc(OC)cc2)cc1 1862689250 LVQHIASRHHIDMC-DEOSSOPVSA-N 447.531 5.173 30 10 IKEE N#Cc1ccc(NC2=C(c3c[nH]c4ccccc34)C(=O)N(CCC3=CCCCC3)C2=O)cc1 1863492396 JOLLDXYJAFXMSN-UHFFFAOYSA-N 436.515 5.122 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC2CC2)=C(c2cc(Cl)ccc2Cl)C1=O 1863727596 WKNUIZZNRXTJID-UHFFFAOYSA-N 437.411 5.966 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)[C@@H](Cc2ccccc2)c2ccccc2)c1 1865953867 YECOQUZZXUXCAS-SANMLTNESA-N 444.534 6.063 30 10 IKEE Cc1ccc([C@H](CC(=O)N[C@@H](C(=O)Nc2ccccc2C#N)c2ccccc2)C(C)C)cc1 1866742539 DQFPTPQWQTUFQL-SHQCIBLASA-N 439.559 5.493 30 10 IKEE C=CCOc1cn(CCc2ccccc2)c(CN2CCC(Cc3ccccc3)CC2)cc1=O 1870383803 MXTHASGKTFOIJC-UHFFFAOYSA-N 442.603 5.111 30 10 IKEE CCCCCCCCCCn1cc(OCCC(=O)OCC)c(=O)cc1CN(CC)CC 1870451811 AUZBNKKYEFJBBB-UHFFFAOYSA-N 436.637 5.163 30 10 IKEE C=CCn1cc(OCCCCOc2ccccc2C)c(=O)cc1CNc1ccc(C)c(C)c1 1871227823 HMYNOXUBBIDAEZ-UHFFFAOYSA-N 446.591 5.810 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccco1)C3=O)CN(CCc1cn(C)c3ccccc13)CO2 1871348652 AUMDECTWMOGZNT-CFRMEGHHSA-N 440.499 5.091 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O3)CN([C@H]1CCCC[C@H]1C)CO2 1871351062 ISTDPIDYWOJCAF-LIWMECDISA-N 434.492 5.250 30 10 IKEE Cc1cc(OC(=O)C(Cl)(Cl)Cl)cc2c1C(=O)/C(=C/c1cccc(Cl)c1)O2 1871363209 MEWGMLOWDLYKHB-AUWJEWJLSA-N 432.086 5.540 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OC(=O)CC4CCCCC4)cc(C)c3C2=O)c2ccccc21 1871380634 YWMJTIXKKBKGQP-MYYYXRDXSA-N 443.543 6.462 30 10 IKEE Cc1c(OC(=O)c2ccc(OC(C)C)cc2)ccc2c1O/C(=C\c1cccc(Cl)c1)C2=O 1871388006 GHWQQEOKYXHXPG-UCQKPKSFSA-N 448.902 6.271 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(OC)c2)C3=O)cc1 1871389997 YRTVYYIGXIEXLM-JLPGSUDCSA-N 442.467 5.404 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1Cl 1871401544 GPEHKLPBFJJJNU-VJUVOTIISA-N 447.918 5.979 30 10 IKEE Cc1cc(OCCCCOc2ccccc2)cc2c1C(=O)/C(=C/c1ccc(N(C)C)cc1)O2 1871403751 YDACJLAILBIGAM-ITYLOYPMSA-N 443.543 5.915 30 10 IKEE Cc1ccc(OCCCCOc2cc(C)c3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871404361 KBTWNUKFZLOOQM-ONUIUJJFSA-N 428.528 6.466 30 10 IKEE CCOc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871405197 AGLQQLFJSLJVPT-SUVVMJBMSA-N 447.487 5.317 30 10 IKEE Cc1c(Cl)cccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1cccs1)C2=O 1871426962 GSBJUTFNBGUTAN-JAIQZWGSSA-N 425.893 5.344 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccc(C)cc4)c3C)C2=O)cc1 1871454526 OYHZMMWPUFUXKA-IWIPYMOSSA-N 443.499 5.336 30 10 IKEE Cc1cc(OCC(=O)Nc2cccc(Cl)c2)cc2c1C(=O)/C(=C/C=C/c1ccccc1)O2 1871455305 LBFSHFGRHYQSBR-LUIQNUNFSA-N 445.902 5.838 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1872083254 APYFUJCLWJYDLJ-DEOSSOPVSA-N 442.625 5.240 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccccc1C(C)C)[C@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872460657 GJFSUDSDGKENRL-WZONZLPQSA-N 446.588 5.179 30 10 IKEE COc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1OC 1872772629 FVDWPDMSAYAWKF-IBGZPJMESA-N 434.561 5.544 30 10 IKEE Cc1cc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc(C)c1Cl 1872776888 ZYVBIGSBYVPRIV-HXUWFJFHSA-N 438.980 6.459 30 10 IKEE N#C[C@H](C(=O)CCCOc1ccc(Cl)cc1)c1nc(-c2c[nH]c3ccccc23)cs1 1872777239 JCKKQGZVKSZYAI-GOSISDBHSA-N 435.936 5.980 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@@H](C#N)C(=O)CCCOc2ccccc2C)n1 1872780293 FDVCAIDTHMHEJP-FQEVSTJZSA-N 434.561 5.779 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)Cc2ccc(F)cc2F)n1 1872786297 HBDCKUCKXNLZTB-MRXNPFEDSA-N 432.879 5.478 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3c(F)cccc3Cl)n2)c2ccccc12 1872789114 YPDPCWJZYVTYRD-INIZCTEOSA-N 436.895 6.254 30 10 IKEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)Nc3cccc(SC)c3)cc2[nH]1 1872807186 VDUHVPPAKFINQR-UHFFFAOYSA-N 445.544 5.681 30 10 IKEE C=CCc1ccccc1OCc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1 1872859371 NWGSXOMVDVNBCI-NRFANRHFSA-N 425.572 6.364 30 10 IKEE CCCCCCCCCCNC1=C(c2c(C)cc(C)cc2C)C(=O)N(C2CCCC2)C1=O 1873119888 SHPHOTMJXADOLD-UHFFFAOYSA-N 438.656 6.365 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc([N+](=O)[O-])cc2)=C(c2ccc(F)cc2)C1=O 1873352906 OXEDNUGJVFPHNJ-UHFFFAOYSA-N 439.487 5.286 30 10 IKEE N#Cc1nc(-c2cccs2)oc1N/N=C/c1ccccc1OCc1ccc(Cl)cc1 1873462318 ZBAQZJPSFZYKAU-DHRITJCHSA-N 434.908 5.953 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C(C)(C)C)cc2)cc2c(N3CCC[C@@H](C)C3)ncnc21 1873657435 DDDGIGXPFREDHN-GOSISDBHSA-N 431.584 5.403 30 10 IKEE CCCCCCCCNC(=O)COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C 1873892133 TXANRDSQCNSVBN-UHFFFAOYSA-N 449.591 5.856 30 10 IKEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3ccc(OC(C)C)cc3)c(=O)oc2c1 1873927570 MASXXCBHTAXLFW-UHFFFAOYSA-N 435.520 5.415 30 10 IKEE CCSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1ccc(C)cc1 1874196962 LGGVLDNEIMORGA-NLRVBDNBSA-N 430.577 5.746 30 10 IKEE CCSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1ccc(F)cc1 1874196997 MNWIDFFOIROUMC-YZSQISJMSA-N 434.540 5.576 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1sccc1C 1874214554 RXQHRDHZHIGYAR-HYARGMPZSA-N 433.002 5.473 30 10 IKEE CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1cc(C)ccc1O 1874217216 AUPAOFUJPIVBBZ-FOKLQQMPSA-N 430.961 5.136 30 10 IKEE CCCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc(OC)c(OC)c1 1874279589 MIKMOZBHVIXFOV-BUVRLJJBSA-N 444.988 5.118 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2O)cc1C 1874320240 HSOMMHUVNNAHIX-CVKSISIWSA-N 444.560 5.354 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(COc3cccc(C)c3C)nnc2SC)cc1 1874322221 GQZDVDJKCYNWFZ-PCLIKHOPSA-N 438.597 5.647 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2ccccc2F)cc1C 1874359497 JVPLJYQESGOWSV-MTDXEUNCSA-N 444.579 5.842 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccc3Cl)n2/N=C/c2ccc[nH]2)cc1 1874365924 BDQJELAGAOFHTJ-FSJBWODESA-N 438.900 5.009 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccccc3)n2/N=C/c2ccccc2F)cc1 1874382632 ZWRCCNPGWJUNBA-CVKSISIWSA-N 432.524 5.479 30 10 IKEE CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874391427 GZAPQNPTTVSSHD-VKELSTCCSA-N 428.561 5.613 30 10 IKEE COc1ccccc1/C=N/n1c(CC2CCCCC2)nnc1SCc1cccc(C)c1 1874406381 ILSCISYKBZMDKY-YZSQISJMSA-N 434.609 5.892 30 10 IKEE CCc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2C)cc1 1874416442 POFNVEZBCMJAKD-OVVQPSECSA-N 426.589 5.914 30 10 IKEE Fc1cccc(CSc2nnc(-c3cccs3)n2/N=C/c2c(F)cccc2Cl)c1 1874421404 KTWILXHZFCMFTD-BHGWPJFGSA-N 446.935 6.113 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3ccccc3F)nnc2-c2ccccc2)cc1 1874428524 NCMYHSHAHOMTLP-WPWMEQJKSA-N 446.551 6.048 30 10 IKEE CCCOC(=O)CSc1nnc(CC(C)(C)C)n1/N=C/c1ccc(Cl)cc1Cl 1874441957 NXXJESSESQUYIR-SSDVNMTOSA-N 443.400 5.101 30 10 IKEE FC(F)(F)c1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccccc1 1874461696 AZSYFYUBIGQLGE-NUGSKGIGSA-N 431.270 5.778 30 10 IKEE Cn1cc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CCC2)c2ccccc21 1874495799 GHQAYPBPMMDLLR-DHRITJCHSA-N 435.984 5.865 30 10 IKEE COc1cc(/C=N/n2c(SCc3cccc(F)c3)nnc2C(C)C)cc(Cl)c1O 1874512262 OOCMEVCZZXNTLA-AUEPDCJTSA-N 434.924 5.083 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CC2)cc1O 1874522991 BPHSFRZQJIJXBZ-AUEPDCJTSA-N 449.363 5.351 30 10 IKEE FC(F)(F)c1nnc(S)n1/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 1874559674 GRLKNYAKYRGRGS-LIMNOBDPSA-N 447.269 5.354 30 10 IKEE CCc1ccccc1NC(=O)COc1c(/C=C/C(=O)c2ccc(F)cc2)cccc1OC 1874584470 POFPSQHELXIARO-DTQAZKPQSA-N 433.479 5.310 30 10 IKEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1[N+](=O)[O-] 1874629381 ZXURWDDJKKAEJS-VQHVLOKHSA-N 425.481 5.057 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cccc(C)c3)c2)cc1 1874695882 XBANOIHURBCXQD-FOWTUZBSSA-N 428.528 6.462 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OC(=O)c1ccccc1Cl 1874701017 XNGYENADRDPWDR-WUXMJOGZSA-N 427.283 6.117 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2cccc(Br)c2)c1)c1ccc(F)cc1 1874708791 USWOEDYJRUSNMS-KPKJPENVSA-N 425.253 5.704 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OC(=O)CSc1ccccc1 1874713989 YXXYELDYBPQFCU-JLHYYAGUSA-N 432.541 5.906 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(C)cc2C)CSc2nnc(CCOC)n21 1874908578 WMTQORXGJWYNDW-OAQYLSRUSA-N 444.645 5.146 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2-c2ccccc2)cc1)c1ccccc1Cl 1875112003 VIEDFIRENRHMBG-KNTRCKAVSA-N 438.910 7.122 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3c(F)cccc3Cl)c(Cl)c2)cc1 1875114601 XRMDVCRDOZKRDC-VZUCSPMQSA-N 445.273 6.256 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2OC)c1 1875127348 AACDVSQJQWAPAH-NTUHNPAUSA-N 436.891 5.863 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OC(=O)c1ccc(C(C)(C)C)cc1 1875127447 FPWVJKXUANODFE-XNTDXEJSSA-N 448.946 6.761 30 10 IKEE CC(C)(C)c1ccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2)cc1 1875127643 PVOKIDVOENBCRM-DEDYPNTBSA-N 442.555 6.645 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)c1ccccc1 1875163497 NOWLNVJFYSMTED-JLHYYAGUSA-N 434.438 5.817 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccco3)c(Cl)c2)c(OCC)c1 1875177486 MYRGAHMMUUOSKK-YRNVUSSQSA-N 440.879 5.846 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc(OC)c1OC(=O)C(C)C 1875192200 YQDSATKBPSDFMW-WYMLVPIESA-N 444.527 6.043 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)C1CCCCC1 1922121704 YVXYGLHOILCDEI-BJKOFHAPSA-N 430.633 5.601 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@@H](C#N)c1nc(Br)cs1 1950106523 JZLVDCXUYQCPJY-LBPRGKRZSA-N 428.739 5.565 30 10 IKEE C#CCN(CC(C)(C)C)C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1984724104 JBFFSRXMIQFFLT-RUZDIDTESA-N 446.591 5.058 30 10 IKEE CC[C@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 2014642171 BTDLAJTWJLEKSU-WZONZLPQSA-N 449.979 5.763 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C12CCC2 2020571970 HWQCVBWJPDSUCY-HXUWFJFHSA-N 447.498 5.002 30 10 IKEE C[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)[C@H](C)CN1C(=O)OC(C)(C)C 2032000893 RIUFNTHTHBZSRY-HOZJOUCCSA-N 447.551 5.495 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Cl)c1Br)NCCC 2063091038 YMGDVYLRMOHOLY-JKSUJKDBSA-N 431.802 5.093 30 10 IKEE CC(C)(C)OC(=O)c1nn(Cc2cc(F)cc(C(F)(F)F)c2)c(C(F)(F)F)c1Cl 2079181638 XECYZMGLPVEUDZ-UHFFFAOYSA-N 446.750 5.717 30 10 IKEE Cc1ccc([C@H](C(C)C)n2nc(C3CCC3)c(C=NO)c2Br)c(F)c1F 2079902776 JDYYJXBHWZYIIH-SFHVURJKSA-N 426.305 5.553 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 2082160777 JRKVIFASZHRVQQ-XHNVNVPESA-N 443.588 5.712 30 10 IKEE CC1(C)OB(C=C2CCN(Cc3ccc(Cl)cc3Br)CC2)OC1(C)C 2107466034 KVVHQNQTYHMFIQ-UHFFFAOYSA-N 426.591 5.256 30 10 IKEE CC1(C)OB(c2cnc(N(Cc3ccccc3)CC3CCCC3)c3sccc23)OC1(C)C 2116149434 CUMBFEQRMYWNKT-UHFFFAOYSA-N 448.441 5.792 30 10 IKEE CN[C@@H](CC#CC1CCCCC1)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2149865998 YOAIPQPFDQXSCQ-FQEVSTJZSA-N 435.406 6.030 30 10 IKEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1c(F)cc(C)cc1Br 2173405576 RJLFTHNIYCHZOK-KRWDZBQOSA-N 442.373 5.040 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)Nc1cc(F)cc(C#N)c1 2181045887 ISIFQJFALLUCEH-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE C=CCCCCCCC[C@H](N)c1cc(I)ccc1Br 2227277243 XKGPNWLSCVZSQB-INIZCTEOSA-N 436.175 5.970 30 10 IKEE CC1(C)CCC(NC(=O)OC(C)(C)C)([C@H](O)C#Cc2ccccc2Br)CC1 2235742725 YWVNOFDHBVHPOS-GOSISDBHSA-N 436.390 5.025 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CSc1cc(Br)c(C#N)cc1F 2260367786 JXCGOPZUEJKUHN-ABAIWWIYSA-N 429.355 5.197 30 10 IKEE C=CCCC1([C@@H](N)Cc2ccc(Cl)c(Br)c2)CN(C(=O)OC(C)(C)C)C1 2266315199 LKUQBAAUJRASBX-KRWDZBQOSA-N 443.813 5.176 30 10 IKEE C=CC[C@]1(COc2cc(C)cc(Br)n2)CCCCN1C(=O)OC(C)(C)C 2272124977 YIXLQFKSSKLDNA-HXUWFJFHSA-N 425.367 5.267 30 10 IKEE CN(CC[C@@H](Nc1cc(Br)c(C#N)cc1F)C(C)(C)C)C(=O)OC(C)(C)C 2296001244 UPVKFKKNFUFVEA-QGZVFWFLSA-N 442.373 5.543 30 10 IKEE C[C@@H](c1ccc(NC(=O)OC(C)(C)C)cc1)[C@H](N)C#Cc1cccc(Br)c1 2296216174 IBGOKDDVFMSHBW-MGPUTAFESA-N 429.358 5.279 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@H](CCC)N(C)C(=O)OC(C)(C)C 2296220101 VBNMBBVUVSZCTN-UXHICEINSA-N 437.422 5.204 30 10 IKEE CCN1C(=O)C(=Cc2c(OC)ccc3ccccc23)SC1=Nc1ccc(C(=O)O)cc1 2296425932 YSCRMUFMNGTCOT-UHFFFAOYSA-N 432.501 5.171 30 10 IKEE O=C(Oc1ccc(F)cc1C(=O)C=Cc1ccc(F)cc1)c1ccccc1Br 2296761497 UJZDDPQELGNSHH-UHFFFAOYSA-N 443.243 5.843 30 10 IKEE Cc1ccccc1N=C1SC(=Cc2ccc(N(C)C)cc2)C(=O)N1c1ccccc1C 2296826812 VPPYNVKVOBODLN-UHFFFAOYSA-N 427.573 6.178 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(OC(=O)c4ccc(F)cc4)c3C)C2=O)c2ccccc21 2296871806 GHHYLIPCYGXOQC-UHFFFAOYSA-N 441.458 5.944 30 10 IKEE C=CCN1C(=O)C(=Cc2cccc(OCCOc3ccc(C)cc3C)c2)SC1=S 2297624620 PRMBYFYCNYLGQL-UHFFFAOYSA-N 425.575 5.148 30 10 IKEE Cc1cc(C)cc(CN=C2NC(=O)C(=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)c1 2313540692 OUSXNDNANFPUJF-UHFFFAOYSA-N 433.489 5.232 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCC(=O)c4ccc(Cl)cc4)ccc3C2=O)cc1 2314437924 AXVJAHGJZUJVOE-UHFFFAOYSA-N 434.875 5.617 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCC)c2cccc(OCc3ccccc3)c2)C1 2314464102 FDOKNVNQSITOOL-DEOSSOPVSA-N 436.596 5.777 30 10 IKEE O=C(C=Cc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 2318788241 GKBPEFAGGGHGBJ-UHFFFAOYSA-N 434.062 5.429 30 10 IKEE CCc1nnc(SCc2cccc(C)c2)n1N=Cc1cccc(OCc2ccccc2)c1 2320961490 ZHHJEXWUDKUZAQ-UHFFFAOYSA-N 442.588 5.902 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OCc4cccc(F)c4)cc(C)c3C2=O)cc1 2321898893 KLGMZDDMYMVFSC-UHFFFAOYSA-N 431.507 6.176 30 10 IKEE CCCCOc1ccc(C=Nn2c(S)nnc2CCCOc2ccccc2Cl)cc1 2322234845 JQZIAZRXZZSJFZ-UHFFFAOYSA-N 444.988 5.293 30 10 IKEE CCCCCN1COc2c(cc3c(c2C)OC(=Cc2cn(CC)c4ccccc24)C3=O)C1 2322346871 GWPZRIMSENUVPQ-UHFFFAOYSA-N 430.548 5.928 30 10 IKEE Cc1cccc(C=C2Oc3c(cc4c(c3C)OCN(C35CC6CC(CC(C6)C3)C5)C4)C2=O)c1 2322437089 HMCNQSJRLSEGQF-UHFFFAOYSA-N 441.571 6.040 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Br)cc(Br)c2OC)cc1 2322451725 SXAZVZBJMVBSCG-UHFFFAOYSA-N 426.104 5.125 30 10 IKEE C=CCOc1c(Br)cc(Br)cc1C=CC(=O)c1ccc(F)cc1 2322748166 NMJUQIHEJUKJAI-UHFFFAOYSA-N 440.106 5.812 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2ccccc2Cl)c(C)c1C 2322825118 CHNAUHBYZKKSNK-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE O=C(Cc1ccccc1)Oc1ccc2c(c1)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2322884380 AGHXFFDHWWRBSV-UHFFFAOYSA-N 432.475 6.118 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O)c1cccc(Br)c1 2322930238 GHULNJJXHHAVJI-UHFFFAOYSA-N 439.236 5.424 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2c(OCc3cccc(Cl)c3)ccc3ccccc23)c(C)c1 2322948560 ZNCGAWDWOSBWDJ-UHFFFAOYSA-N 440.970 7.894 30 10 IKEE Cn1cc(C=C2Oc3cc(OC(=O)C(Cl)(Cl)Cl)ccc3C2=O)c2ccccc21 2323034980 CKDHXIPNUTYRMJ-UHFFFAOYSA-N 436.678 5.070 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc(OC(=O)C=Cc3ccc(C)cc3)c2C)C1=O 2323063543 CJZNORFFXQYILV-UHFFFAOYSA-N 440.495 5.937 30 10 IKEE CC(C)c1ccc(C=C2Oc3cc(OC(=O)CCc4ccc(Cl)cc4)ccc3C2=O)cc1 2323101834 KUKFBWYJXSXFTC-UHFFFAOYSA-N 446.930 6.618 30 10 IKEE CCc1ccccc1NC(=O)COc1cccc(C=CC(=O)c2cccc3ccccc23)c1 2323203387 CADRJSNGOVTVBJ-UHFFFAOYSA-N 435.523 6.316 30 10 IKEE Cc1c(OC(=O)c2c(F)cccc2Cl)ccc2c1OC(=Cc1ccccc1F)C2=O 2323354703 WZUINPBRWQOETQ-UHFFFAOYSA-N 426.802 5.762 30 10 IKEE Cc1cc(OC(=O)C=Cc2cccs2)cc2c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O2 2323532108 IOIYMXQSQDNCAX-UHFFFAOYSA-N 444.552 6.589 30 10 IKEE CC(C)COc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)c1 2323579919 QWPBPURQRPUYQW-UHFFFAOYSA-N 448.902 6.210 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)cc(Cl)c1OCc1ccccc1F 2323702246 CPCYRSBLVHJATQ-UHFFFAOYSA-N 440.898 6.362 30 10 IKEE CCCOc1c(Cl)cc(C=NNc2nc(-c3ccc(Cl)cc3)cs2)cc1Cl 2323852641 JGANOKCOFBKCFE-UHFFFAOYSA-N 440.783 7.005 30 10 IKEE CCCCOc1ccc(C=NNc2nc(-c3ccc(Cl)cc3)cs2)cc1OCC 2323865464 FPIFXCRIKPZGHL-UHFFFAOYSA-N 429.973 6.487 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OCC(=O)Nc1ccccc1C 2323985633 NDHUPISHLUGBSJ-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCCOc4ccccc4)c3C)C2=O)cc1OC 2324220347 STGQPCAMYSTWEF-UHFFFAOYSA-N 432.472 5.086 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccc(Cl)cc4)c3C)C2=O)c1 2324612006 FDUCTADLGFKVKW-KRWDZBQOSA-N 447.918 5.979 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(OCCOc3ccc(Cl)cc3)c2C)C1=O 2324673161 FSBLNGPWUKLOOC-UHFFFAOYSA-N 426.921 6.092 30 10 IKEE CCn1cc(C=C2Oc3cc(OCC(=O)OCC(C)C)cc(C)c3C2=O)c2ccccc21 2325068504 YAGDMOJUVBFHEX-UHFFFAOYSA-N 433.504 5.164 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(C(C)(C)C)cc1 2325565205 OULVUPGWUIJLGF-UHFFFAOYSA-N 442.632 6.856 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(C)nnc2SCc2c(Cl)cccc2Cl)cc1 2325631304 DFJPAYCZAYYULP-UHFFFAOYSA-N 448.423 5.914 30 10 IKEE O=C(CC12CC3CC(CC(C3)C1)C2)Oc1cccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)c1 2325722558 PHNWOSUUMOEZBS-UHFFFAOYSA-N 445.515 6.003 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2OC)cc1OC(=O)CSc1ccccc1 2325723428 PBLDVPBWIUKDRU-UHFFFAOYSA-N 434.513 5.298 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(Cl)cc3)c2)cc1 2325746310 NMQPESCRGVRMEY-UHFFFAOYSA-N 432.947 6.682 30 10 IKEE CCOc1ccc(CCC(=O)Oc2cccc(C=CC(=O)c3ccc(F)cc3)c2)cc1OC 2325751429 VPHCJYTUUFRFTQ-UHFFFAOYSA-N 448.490 5.667 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1OC(=O)Cc1cccs1 2325755032 BDKWGEATMUZOJX-UHFFFAOYSA-N 436.529 5.426 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cc(Cl)c(O)c(Cl)c1 2326350299 USNCCEORNWMBPI-UHFFFAOYSA-N 427.744 5.427 30 10 IKEE Cc1cc(C)cc(CSc2nnc(Cc3ccccc3)n2N=Cc2sccc2C)c1 2326421513 NRFCCUVOZNSIQN-UHFFFAOYSA-N 432.618 6.030 30 10 IKEE CCCOc1ccc(C=Nn2c(CC)nnc2SCc2cccc(F)c2)cc1Cl 2326731190 KKKSWUOJPPPCQH-UHFFFAOYSA-N 432.952 5.596 30 10 IKEE CCCCC1CCC(c2nnc(SCCc3ccccc3)n2N=Cc2cccnc2)CC1 2328179116 PFARLLKSRHFNCG-UHFFFAOYSA-N 447.652 6.354 30 10 IKEE Cc1cccc(OCc2nnc(SCc3ccccc3F)n2N=Cc2ccccn2)c1C 2328848188 OOQGOLQOXFLGKZ-UHFFFAOYSA-N 447.539 5.183 30 10 IKEE C=CCSc1nnc(COc2cccc(C)c2C)n1N=Cc1ccc(N(CC)CC)cc1 2328857450 WVHNKXSTTMTVNG-UHFFFAOYSA-N 449.624 5.480 30 10 IKEE COc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)CCCSC 2330616103 YJEASLHBBHARFF-UHFFFAOYSA-N 446.568 6.307 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(OC)c1OC(=O)C(C)(C)C 2330674791 HJSFUNWIWDXPBN-UHFFFAOYSA-N 428.528 6.425 30 10 IKEE COc1cc(C=Nn2c(SC)nnc2C2CCCC2)ccc1OCc1ccc(C)cc1 2331017243 MNPJEKVNMYNEPV-UHFFFAOYSA-N 436.581 5.436 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)c(F)c2F)cc1)c1ccc([N+](=O)[O-])cc1 2331018326 LLHHYMJVJHXDOT-UHFFFAOYSA-N 427.334 5.127 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2Cl)cc1 2331029213 OGRXNCKJKKPUGC-UHFFFAOYSA-N 435.863 5.926 30 10 IKEE CCCCCCOc1ccc(C=Nn2c(SCC)nnc2-c2ccco2)cc1OC 2331198499 YSMMLXBUQYJNAR-UHFFFAOYSA-N 428.558 5.500 30 10 IKEE COC(=O)c1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C(C)(C)C)cc1 2331397497 JGOHNBHLJCTSNF-UHFFFAOYSA-N 442.972 5.190 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OC(=O)C1CCCC1 2331411083 LTSIPOGHOBAOFQ-UHFFFAOYSA-N 440.967 6.638 30 10 IKEE CCOc1c(C=Nn2c(SCc3ccc(C)cc3)nnc2C2CCC2)cccc1OC 2331481115 YJCQPKAKERBRJM-UHFFFAOYSA-N 436.581 5.436 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1ccc(C=CC(=O)c2ccc(F)cc2)cc1Cl 2331520875 ODRRAJHBLGRYGQ-UHFFFAOYSA-N 444.889 6.677 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1C 2331704795 IWHAKBJKSKADTM-UHFFFAOYSA-N 435.863 5.980 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc(OC)c1OC(=O)CC(C)C 2331801338 OTLYAZNFUKHALN-UHFFFAOYSA-N 448.603 6.877 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3cccc(F)c3)c(OC)c2)cc1C 2331854754 IBSICGKTHFHXMA-UHFFFAOYSA-N 434.463 5.575 30 10 IKEE CCN[C@@H](C#CC1(SC)CC1)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2336248026 JSTNOTDBLOSWRQ-KRWDZBQOSA-N 439.419 5.346 30 10 IKEE CC1(C)OB(C=Cc2ccc(NC[C@@H]3CCCCN3Cc3ccccc3)nc2)OC1(C)C 2339535737 OCYFXNHSYIPOFV-QHCPKHFHSA-N 433.405 5.193 30 10 IKEE N#Cc1ccc(Cl)c(NCc2ccc(I)c(Br)c2)c1 2349838781 CSMCRIISQPZSGR-UHFFFAOYSA-N 447.501 5.191 30 10 IKEE CC#CCN(C[C@H](NCCC)c1c(F)cc(C)cc1Br)C(=O)OC(C)(C)C 2363123084 NGWXWJTWVOBEIT-SFHVURJKSA-N 441.385 5.198 30 10 IKEE Cc1cc(CN(C)[C@@H]2CC(C)(C)[C@@H]2OCc2ccccc2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369738412 IUFZALWKVWVNLD-JWQCQUIFSA-N 449.444 5.110 30 10 IKEE CCOC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CC[C@@](C#N)(c1ccccc1)C2 751976 CBZXKVRFVKYQGY-AREMUKBSSA-N 444.556 5.056 30 10 IKEE C=CCn1c(SCC(=O)N2CCc3ccccc3C2)nnc1-c1ccc(C(C)(C)C)cc1 10409425 AZIBWDRMYYMPHH-UHFFFAOYSA-N 446.620 5.106 30 10 IKEE Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OCC(C)C)cc2)C3)o1 21229799 YQCKRRBJBQFFCC-PIIWDFAUSA-N 442.559 6.602 30 10 IKEE CCc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(OC)c2OC(C)C)cc1 21235928 FUBYPZMTKFZBPO-CTNGQTDRSA-N 433.548 5.049 30 10 IKEE Cc1cc(Cl)ccc1N/C(=N\C(=O)c1ccccc1Cl)NCc1c(C)nn(C)c1C 32972637 PLBQETDRLULEMA-UHFFFAOYSA-N 444.366 5.050 30 10 IKEE CCCn1cc(CN/C(=N/C(=O)c2ccc(C(C)(C)C)cc2)Nc2cccc(C)c2)c(C)n1 32972897 KOWOPMUXHMTFBG-UHFFFAOYSA-N 445.611 5.606 30 10 IKEE C=C[C@](C)(O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)CC(C)C 36342159 JNFYSPMKDPEOPA-MHZLTWQESA-N 449.595 5.377 30 10 IKEE C=CCN1C(=O)c2[nH]nc(-c3c(C)cc(C)cc3O)c2[C@@H]1c1cccc(OCCCCC)c1 38705716 HJNCILMVVOJALE-SANMLTNESA-N 445.563 5.699 30 10 IKEE C=C(C)C(=O)N[C@@H](C)c1nc2ccccc2n1CCCCOc1cc(C)ccc1C(C)C 40191194 VHHOQEJGTZHDKG-NRFANRHFSA-N 433.596 6.081 30 10 IKEE C=CCc1ccccc1OCCn1c(CNC(=O)c2ccc(Cl)cc2)nc2ccccc21 40280479 NMTXYFKPDDLXMV-UHFFFAOYSA-N 445.950 5.427 30 10 IKEE COc1cccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2cccs2)C4)c1OC 41648945 IZSLPLMGKNATFT-NHDPSOOVSA-N 449.528 5.042 30 10 IKEE CCCCCCOc1ccc(/C=N/Nc2nnc3c4ccccc4n(CCC)c3n2)cc1 64981548 IJNVOCBIHHMSTM-NLRVBDNBSA-N 430.556 5.795 30 10 IKEE CCCCCCCOc1cccc(NC(=O)CNc2ccc(CCC(=O)N(C)C)cc2)c1 100118068 KDDSFSMHUFAYQP-UHFFFAOYSA-N 439.600 5.107 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(N2CCCCCC2)c1N 101511395 DAUCBPXINAOXQF-UHFFFAOYSA-N 431.713 7.332 30 10 IKEE CCCCCCCCCCn1c(CCNC(=O)c2ccccc2Cl)nc2ccccc21 102138463 UIGZXFVIQCVJLQ-UHFFFAOYSA-N 440.031 6.803 30 10 IKEE CCCCCCCCCCCCn1c(COc2cccc3ccccc23)nc2ccccc21 102191045 XLWNHOGOAKEQAI-UHFFFAOYSA-N 442.647 8.689 30 10 IKEE Cc1ccc(-c2csc(-n3nc(C)c([C@@H](c4ccccc4)C(C#N)C#N)c3O)n2)cc1 105573010 BSMNAPUMADGUAY-QFIPXVFZSA-N 425.517 5.114 30 10 IKEE CCN1C(=S)N[C@@H](c2cccc(OC)c2OCc2ccccc2Cl)C(C(C)=O)=C1C 169933310 BEJYKKFBAZMWSS-NRFANRHFSA-N 444.984 5.042 30 10 IKEE COc1cc(/C=N\Nc2nc(-c3ccc(C)cc3C)cs2)ccc1OCc1ccccc1 169940774 QFTREEZSNOURBD-DICXZTSXSA-N 443.572 6.461 30 10 IKEE CCCCCCCCCOc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1OC 169941952 FFYYLAVAPZPTBN-UHFFFAOYSA-N 435.395 7.675 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3ccc(C)cc3C)cs2)cc(Cl)c1OCC 169942670 HVDVQCOLNONZKP-MSXFZWOLSA-N 429.973 6.324 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2cccnc2)cc1 170013126 GZZSVEBBFLBHJN-NRFANRHFSA-N 441.512 5.037 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)(C)C)cc2)[C@H]1c1ccncc1 170016839 MMTZXHGBAJPYFI-QHCPKHFHSA-N 442.515 5.171 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@H]2c2ccncc2)s1 170021393 GNFAYGXEKHNXLR-NRFANRHFSA-N 441.512 5.091 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccccc2)cc1 170054561 AATADSHRFHMSOE-SANMLTNESA-N 449.506 5.627 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(Cl)cc2)c1 170059672 IGKDKWJOSYJIBX-QFIPXVFZSA-N 439.939 5.650 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@@H]1c1ccc(F)cc1 170062653 ZTENZHMBARTDLI-HSZRJFAPSA-N 449.453 5.373 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccccc2F)cc1C 170070813 YBIHSTUZEVHYKS-JOCHJYFZSA-N 435.882 5.879 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccco2)c1 170089771 OUUDPCITYMOZNG-JOCHJYFZSA-N 435.451 5.299 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)o1 170101804 VILSGUSATBVFAU-FQEVSTJZSA-N 425.843 5.472 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1ccccc1OC 170125456 VSNAXUHYWORSHS-HXUWFJFHSA-N 425.868 5.083 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2c2ccccc2O)c1 170141275 JREHLGPOEPUEOO-RUZDIDTESA-N 439.511 5.362 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4)[C@@H]3c3cccc(C)c3)oc12 170141853 UATZTKNZEZSUKF-HSZRJFAPSA-N 439.467 5.533 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1cccc(C)c1 170147568 NYELUEAQCQGRHQ-DEOSSOPVSA-N 433.592 6.369 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@H]2c2cccs2)cc1 170157008 BUZJRLANUIYLGR-JOCHJYFZSA-N 433.529 5.410 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1cccs1 170165672 NVFJUZUXYROXRL-NRFANRHFSA-N 427.566 5.551 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccncc1)c1cccc2ccccc12 170198208 KUCUPXGHESXWGE-QFIPXVFZSA-N 426.497 5.075 30 10 IKEE Cc1nc(-c2ccccc2)sc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccncc1 170212270 HAOGKEZTHRKSRF-HXUWFJFHSA-N 445.544 5.034 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccccc2)c1 170225464 UDCMLQDVNWBZNH-AREMUKBSSA-N 437.539 5.965 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2)c1 170226097 MKIBPGOKRWVXJG-QFIPXVFZSA-N 433.891 5.522 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccccc2)cc1 170226883 LJEWTSDBUQFKAJ-HSZRJFAPSA-N 447.918 5.912 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2)cc1C 170227297 OQIUBUQKLDQYPN-XMMPIXPASA-N 427.500 5.403 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2ccccc2)c1 170227361 GMWAXGAXJFEUHJ-DEOSSOPVSA-N 443.499 5.267 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccccc2)cc1C 170228220 DDHXRBPUDVUZQR-XMMPIXPASA-N 427.500 5.403 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(F)cc1)c1cccc2ccccc12 170241136 LNSGULYMXZJLNE-QHCPKHFHSA-N 427.431 5.350 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@@H]1c1ccc(C(C)C)cc1 170245123 XGRTUHUCSDZYLC-QFIPXVFZSA-N 441.955 5.850 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccccc1F)c1ccc2ccccc2c1 170246989 DRVSWYGDCAKJQK-QHCPKHFHSA-N 443.499 5.819 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccccc2F)c1 170248478 IQTNACVBQSJOOW-RUZDIDTESA-N 441.502 5.796 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccco2)cc1 170283362 PFWXXGASNLMQLI-QHCPKHFHSA-N 431.488 5.412 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccco1 170286870 XBLHCNIAFVPARG-HXUWFJFHSA-N 437.879 5.341 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC(C)C)c3)[C@H]2c2ccco2)c(C)c1 170289294 CXNOTEUFRGBRGY-XMMPIXPASA-N 445.515 5.714 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccc(C)o2)c1 170299937 GDUXKTGZVNTQFI-XMMPIXPASA-N 445.515 5.775 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccc(Cl)cc2)o1 170303307 PPEIAPLBOBXTPE-QGZVFWFLSA-N 428.897 5.098 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2sccc2C)c1 170314261 RBXLLGDYMVBVRZ-LJQANCHMSA-N 434.473 5.056 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@H]1c1sccc1C 170318916 VOXXXOJNYVWXEH-IBGZPJMESA-N 427.566 5.351 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C(C)C)cc2)cc1 170378764 SVCVVGNCNOCVQA-DEOSSOPVSA-N 429.516 6.309 30 10 IKEE CCc1ccc2nc(Nc3c(C#N)cnn3-c3cc(C)c4cc(C)cc(C)c4n3)sc2c1 170547192 UJXPNCHZKQLSSS-UHFFFAOYSA-N 438.560 6.133 30 10 IKEE CCCCCCCC[C@H](NN)c1cc(Br)ccc1I 232964797 FHNPIKSMHIFJRA-HNNXBMFYSA-N 439.179 5.309 30 10 IKEE Cc1ccc(CN2C(=O)C(=NNC(=S)Nc3c(C)cc(C)cc3C)c3ccccc32)cc1 254432477 NNHBPTMSDLALAK-UHFFFAOYSA-N 442.588 5.158 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCc3ccccc3)nnc2-c2ccccc2)cc1 254555304 HRUACQBLVJKOMJ-UHFFFAOYSA-N 442.588 6.299 30 10 IKEE Cc1ccccc1N=C1S/C(=C/c2cccc([N+](=O)[O-])c2O)C(=O)N1c1ccccc1C 254591882 CMLRLSCKBXPNQA-ZOQGDPGVSA-N 445.500 5.726 30 10 IKEE O=C1/C(=C/c2cccn2-c2ccccc2)SC(=Nc2ccccc2)N1Cc1ccco1 254792384 QPCAXJZBLTYCSM-CMEWOCMCSA-N 425.513 5.875 30 10 IKEE Cc1ncc(CSc2ccccc2N=Cc2cc(Cl)cc(Cl)c2O)c(CO)c1O 254903845 ZLSLKKKKVPNPDP-UHFFFAOYSA-N 449.359 5.643 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)ccc1Br)NCC 407599238 POTJSGFVEKKZGH-IRXDYDNUSA-N 431.802 5.093 30 10 IKEE CCCOc1ccc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526488571 PFSICIRCDCBBHU-XMMPIXPASA-N 444.918 6.058 30 10 IKEE CC(C)COc1ccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526523114 UNUSEWZKDDQCKX-RUZDIDTESA-N 442.490 5.789 30 10 IKEE CCOc1cc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccc(F)c2)ccc1OC 526603224 BFWNYBWQRJKFIV-XMMPIXPASA-N 444.462 5.162 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(Cl)cc2)cc1 526604164 SATSNALCAZHIOO-QHCPKHFHSA-N 430.891 5.668 30 10 IKEE CCCCOc1cccc([C@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccccc2C#N)c1 526608331 IAUATXDIZYOMJX-SANMLTNESA-N 438.527 6.103 30 10 IKEE CCc1ccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccc(C)cc2)cc1 526805861 UOAXVSMDGJEHER-USHMODERSA-N 440.616 6.109 30 10 IKEE CCCOc1cc(/C=N\n2c(C)nnc2SCc2cccc(Cl)c2)ccc1OC 526811173 DAEMAMUWVQYHDK-QRVIBDJDSA-N 430.961 5.212 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1cn(C)c2ccccc12 526817701 WGNWSDXFPMZUJC-MYKKPKGFSA-N 427.936 5.299 30 10 IKEE Cc1ccc(C)c(CSc2nncn2/N=C\c2c(Cl)ccc(Cl)c2Cl)c1 526818448 JRXMOOWGEPXUDJ-NYAPKIOYSA-N 425.772 6.030 30 10 IKEE CCCCCCOc1ccc(/C=N\n2cnnc2SCc2cccc(F)c2)cc1OC 526824334 AKQIRLPEDCJTQS-YSMPRRRNSA-N 442.560 5.559 30 10 IKEE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@@H](C#N)c1cc(Br)c(Cl)s1 698350331 IZHBMFCTIZMQRH-JQWIXIFHSA-N 435.771 5.145 30 10 IKEE Cc1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)cc(C)c1O 698443049 HNFJTFIUNQBVDS-GOSISDBHSA-N 431.330 5.778 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@H](C#N)c1ccc(Br)c(F)c1 698866384 LERKYCLINUKSRK-INIZCTEOSA-N 425.323 5.652 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@H](C#N)c1cccc(OCc2ccccc2)c1 698866542 AAFDPDRJXNYVLH-XMMPIXPASA-N 448.950 6.925 30 10 IKEE CN(N=Cc1cccnc1)c1cc(-c2ccccc2)nc(-c2ccc(Br)cc2)n1 1081805290 IDDFFAOGSPUOLE-UHFFFAOYSA-N 444.336 5.438 30 10 IKEE COc1ccc(-c2nc(N=Cc3cccc(OC)c3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 1083890558 YSVLCLIDOCKRDX-UHFFFAOYSA-N 445.500 6.153 30 10 IKEE COc1ccc(N=C2S/C(=C\c3sccc3C)C(=O)N2c2ccc(OC)cc2)cc1 1084633194 AOBPSYVXASFTRA-AWAAXKIWSA-N 436.558 5.882 30 10 IKEE C/C=C\C(=O)N=C1SC[C@@H](c2ccccc2)N1c1ccc(I)cc1 1088706792 VPNOIMNSBJLNJB-CVAHTPRHSA-N 448.329 5.044 30 10 IKEE Cn1cc(/C=C2/C[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]3(C)C2=O)c(-c2ccccc2)n1 1614437869 ZWJGCLYWSNNVLL-UZKWGHNGSA-N 438.571 5.911 30 10 IKEE Cc1cccc(N=C2S/C(=C\C(Cl)=C/c3ccccc3)C(=O)N2c2ccccc2)n1 1772734760 DXKFZXIIQKFURO-KPMYJJLISA-N 431.948 6.321 30 10 IKEE O=C1/C(=C\c2ccccc2Cl)SC(=Nc2ccncc2Cl)N1C1CCCCC1 1772735081 GOYMNFIXCNGXSX-KHCNQNERSA-N 432.376 6.325 30 10 IKEE Cc1nnc(N=C2S/C(=C/c3cccc4ccccc34)C(=O)N2C2CCCCC2)s1 1772738997 RTDHNFWPDWFRTO-ZOAXWHFDSA-N 434.590 5.936 30 10 IKEE CCCCCCCCCCN1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC1=S 1858587041 YUTJCKIECWSTCL-NBVRZTHBSA-N 441.018 6.590 30 10 IKEE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ncccc1OCc1cccc(C#N)c1 1858754241 LLSFJVUEEQPCHG-AWEZNQCLSA-N 442.302 5.245 30 10 IKEE N#Cc1cccc(COc2cccnc2NC(=O)c2ccc(OCc3ccccc3)cc2)c1 1858754320 PZWZSYATZAERTI-UHFFFAOYSA-N 435.483 5.364 30 10 IKEE N#Cc1ccccc1NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)n(-c2ccc(Cl)cc2)n1 1859411904 CFGZSBKDLLWZMT-UHFFFAOYSA-N 443.850 5.225 30 10 IKEE CCCCCCCCCCNC(=O)c1cc(C(C)C)nc2ccc(Br)cc12 1859577519 FIMHLKJHQIKONQ-UHFFFAOYSA-N 433.434 6.991 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@H](C)Sc2nc(O)c(C#N)c(-c3ccccc3Cl)n2)c1 1860826657 IGTYWLYZJVGQCR-CQSZACIVSA-N 438.940 5.110 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)CCc1ccc(C)c(C)c1)[C@H](C)CC 1861094647 DFSUTNQPSXAUFP-QFQXNSOFSA-N 430.677 6.024 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)c1ccc(OCCC)cc1 1861369758 BFWCTEZLPDKXTO-XMMPIXPASA-N 432.649 6.021 30 10 IKEE CCCCCCCCNC(=O)[C@](C)(CC)NC(=O)COc1ccc(C)cc1C(C)(C)C 1861633274 ABHCLCFPVLRRAA-SANMLTNESA-N 432.649 5.433 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)CCCOc1c(C)cccc1C 1861677310 CDFKPKLHQKBNJH-DEOSSOPVSA-N 446.676 6.004 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)Cc1ccc(OC)c(OC)c1 1861852778 XSIGALUWHHCAQW-JOCHJYFZSA-N 448.648 5.178 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccccc1 1862396714 DPJAFWQADSMBOI-QPPBQGQZSA-N 435.564 5.941 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1cccc(F)c1 1862402446 YSRMUNRSUOZAGS-JOCHJYFZSA-N 425.500 5.301 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1cc(Cl)cc(Cl)c1 1862417253 XMUMVSSRSIHXAW-SFHVURJKSA-N 440.273 5.506 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl 1862436422 SIDYXAFIHPZZOO-NRFANRHFSA-N 448.862 5.027 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1Cl)c1cccc(Cl)c1 1862446322 POUMZGMCGIUFHG-NRFANRHFSA-N 438.310 5.772 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)c1 1862456404 QZZCHNKRVFOWRM-BPSNYSSFSA-N 443.465 5.569 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)c1 1862473989 IXKLNSBFDURWFU-MHECFPHRSA-N 427.500 5.343 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@H](C)CC)cc1OC 1862496237 GEBPGWRWHMDHIB-HXOBKFHXSA-N 437.536 5.088 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccc(OC)cc3)[C@@H]2c2ccccc2)cc1 1862535065 ZKMYWGLFUZJWFD-AVRWGWEMSA-N 441.527 5.597 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2ccccc2Cl)c1 1862560523 JKZBSPCJNFCHOV-JOCHJYFZSA-N 432.907 5.009 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc2cc[nH]c2c1 1862597281 YETCBUSFDALKTO-HYBUGGRVSA-N 446.547 5.811 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@H]1c1cccc(F)c1)c1ccc(F)cc1 1862674425 WOXBKASQWVLXNH-QFIPXVFZSA-N 425.475 5.656 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccc1F 1862714977 IWWUCVHUSFVJRF-WSNNEZGNSA-N 443.518 6.136 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C(C)(C)C)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1C 1862879956 NWQFPMRLNSFSJM-UHFFFAOYSA-N 449.554 5.869 30 10 IKEE N#Cc1ccccc1N1C(=O)C(Nc2ccccc2)=C(c2cc(Cl)ccc2Cl)C1=O 1863017854 JQVDNIYLGHOQKT-UHFFFAOYSA-N 434.282 5.262 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCN(CC)CC)=C(c2cc(C)ccc2C)C1=O 1863741101 JLTKBJQJLCPLLJ-UHFFFAOYSA-N 441.660 5.065 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H](C)c2ccccc2)=C(c2ccccc2OC)C1=O 1863765203 OWVZZYLORWLLDH-FQEVSTJZSA-N 434.580 5.486 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1cccc(C(=O)OCC)c1 1866029892 NPXAEMPDEXHAMU-UHFFFAOYSA-N 431.661 8.063 30 10 IKEE Cc1ccc2c(c1)CCN(c1cc(Nc3ccc(C#N)cc3)nc(C(C)C)n1)[C@H]2CC(C)C 1868242538 PXEROGWMEBUHPB-VWLOTQADSA-N 439.607 6.674 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)n(-c2ccccc2)n1 1870001552 JRGFOHUZDUYFSZ-OBGWFSINSA-N 441.579 5.395 30 10 IKEE CCCCCCCOc1cn(CCc2ccccc2)c(CN(CCC)CCC)cc1=O 1870408909 CQSRDTZSUCUZQI-UHFFFAOYSA-N 426.645 6.062 30 10 IKEE CCCCCCCOc1cn(Cc2cccnc2)c(CNc2cccc(Cl)c2)cc1=O 1870833184 BLNXRDQOWGJDLS-UHFFFAOYSA-N 439.987 5.906 30 10 IKEE C=CCn1cc(OCCOc2ccc(Cl)cc2)c(=O)cc1CNc1ccc(CC)cc1 1870882581 MBCRTDAILUVOQK-UHFFFAOYSA-N 438.955 5.320 30 10 IKEE C#CCOc1cn(CCC)c(CNc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1=O 1871005134 PTIHJTHEXSDCAE-UHFFFAOYSA-N 443.572 5.468 30 10 IKEE Cc1c(OC(=O)c2ccc([N+](=O)[O-])cc2)ccc2c1O/C(=C\C=C\c1ccccc1)C2=O 1871371199 SBDPDGLZMZPOIL-UPFJJGCZSA-N 427.412 5.295 30 10 IKEE Cc1ccc(OCCOc2ccc3c(c2C)O/C(=C\c2cn(C)c4ccccc24)C3=O)cc1 1871406025 PIENKCRBQXHGSD-QQXSKIMKSA-N 439.511 5.869 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(O[C@@H](C)C(=O)Nc3cccc(Cl)c3C)ccc2C1=O 1871406776 KTLWOZXMORCRTA-GHRPQRKGSA-N 447.918 5.979 30 10 IKEE Cc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1sccc1C)C2=O 1871409585 RSXGAIHVIKRNEG-OJSPLJLUSA-N 433.529 5.696 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCCOc3ccccc3F)cc(C)c2C1=O 1871417372 QPNVOPXFKKDWOM-IWIPYMOSSA-N 434.463 5.607 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2c(c1C)O/C(=C\c1ccccc1OCC)C2=O 1871430721 PWAJQCANUVIVCR-KQWNVCNZSA-N 437.536 5.037 30 10 IKEE CCCNC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 1871444694 QUOQBXYWNRTCQY-IWIPYMOSSA-N 427.500 5.183 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccccc1)c1ccccc1)S(=O)(=O)c1cc(C)ccc1C 1872138345 SPOIDCYLAGILJN-VWLOTQADSA-N 448.588 5.250 30 10 IKEE N#C[C@@H](C(=O)Cc1c[nH]c2ccccc12)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872759539 RMTFUYDMIVWUAY-QHCPKHFHSA-N 433.536 6.377 30 10 IKEE Cc1cc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc(C)c1Cl 1872779961 VTZJDJIGTPKYHQ-HNNXBMFYSA-N 432.879 5.614 30 10 IKEE CCc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1 1872789471 JYMGHVYQBGGGJY-MRXNPFEDSA-N 430.982 6.123 30 10 IKEE CCCCCCCCCCNC1=C(c2cccnc2)C(=O)N(CCc2ccccc2)C1=O 1873077057 NPEFHPOKKCGTML-UHFFFAOYSA-N 433.596 5.135 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cccc(C(C)=O)c2)=C(c2cccnc2)C1=O 1873265525 NVMVRDYAUACIGU-UHFFFAOYSA-N 447.579 5.617 30 10 IKEE CCCCCCCCCOc1ccc(-c2nc3ccc(C(=O)N(C)C)cc3[nH]2)c(Cl)c1 1873503837 VBDJMYSODYEGCO-UHFFFAOYSA-N 442.003 6.715 30 10 IKEE O=c1c(Cl)c(N/N=C/c2ccc(Cl)cc2Cl)cnn1-c1ccccc1Cl 1873529423 SBYJUYANBFBPMY-GZIVZEMBSA-N 428.106 5.292 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccc(C)cc1 1874230518 NHLPULYZAUHCNQ-WYMPLXKRSA-N 426.973 5.678 30 10 IKEE C(=N/n1c(CC23CC4CC(CC(C4)C2)C3)nnc1SCCc1ccccc1)\c1ccco1 1874243792 WTIJLKTVHSNZFU-OVVQPSECSA-N 446.620 5.847 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2ccc(O)cc2O)cc1C 1874358361 CTNASTDDSDKQMC-CVKSISIWSA-N 444.560 5.071 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C2CCCC2)cc1 1874456707 GRBVCEIEWMEZMX-BRJLIKDPSA-N 449.382 6.556 30 10 IKEE Cc1cccc(CSc2nnc(C(F)(F)F)n2/N=C/c2ccc(Cl)c(Cl)c2)c1 1874461077 VFHCZGVOWJLKDY-PGGKNCGUSA-N 445.297 6.087 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3ccccc3F)nnc2-c2ccco2)cc1 1874467031 OQOQQTBBOVMRNM-MFKUBSTISA-N 436.512 5.641 30 10 IKEE COc1cc(/C=N/n2c(CC(C)C)nnc2SCc2cccc(Cl)c2)ccc1O 1874491405 PSEHCVCGAVHXCD-FSJBWODESA-N 430.961 5.019 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1c(F)cccc1Cl 1874508747 SPRGANJYACGVMF-VULFUBBASA-N 438.959 6.351 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(C)nnc1SCc1cccc2ccccc12 1874533221 YAYRAWZAGRKMNU-JVWAILMASA-N 438.556 6.076 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/n2c(S)nnc2[C@@H]2CCCO2)cc1OC 1874560445 XKGPUTOWMNGLRJ-MHIQDMOBSA-N 446.617 5.439 30 10 IKEE Cc1cccc(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc3c(c2)CCCC3)c1 1874572055 UKZYLORRVFIOKP-FOCLMDBBSA-N 425.528 5.787 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(Cl)cc2)c1OCC(=O)NC1CCCCC1 1874578449 OLMWJJNZGFCEQY-NTCAYCPXSA-N 427.928 5.072 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cc(Cl)ccc2OCc2cccc(C)c2)cc1C(C)C 1874585575 WPXXJESPIFSYHF-PKNBQFBNSA-N 448.990 7.564 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)N[C@H](C)c3ccccc3)c2)cc1 1874594052 PKSUHAKWRDYNPA-ZRNYNZGJSA-N 443.543 5.410 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OCC(=O)Nc1c(C)cccc1C 1874596238 QGPSCIBOFMVZQS-ACCUITESSA-N 443.543 5.842 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1cccc(OCc2ccc(C)cc2)c1 1874599562 SLCRWTAOMSGBCE-ZHACJKMWSA-N 427.327 6.786 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OCC(=O)Nc1ccc(C)cc1 1874612803 MTVBGXZQXRAZHV-VZUCSPMQSA-N 437.442 5.195 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(OC)c1OCc1cc(C)ccc1C 1874613312 NVPYFLXVXFMURE-KPKJPENVSA-N 436.935 6.449 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 1874616493 CYFKHIAGHIMLCG-NTEUORMPSA-N 443.543 5.924 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3F)c([N+](=O)[O-])c2)c(C)c1 1874617440 BGTSVJRMXMVRRF-DHZHZOJOSA-N 448.450 5.264 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2OC)cc(OC)c1OCCc1ccccc1 1874619747 QMKDOVUIEQEWKQ-BUHFOSPRSA-N 442.555 6.258 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OCC(=O)OCC(C)C 1874626789 WYJWXJPREIUDHR-DHZHZOJOSA-N 440.536 5.185 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OCc2cc(C)ccc2C)c([N+](=O)[O-])c1 1874629510 GYAUMHLSNVZEHT-CSKARUKUSA-N 445.515 6.312 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2Cl)cc1C 1874631739 RHMIGWTTYAWSMJ-YRNVUSSQSA-N 447.962 6.487 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(OCC)c(OCC)c([N+](=O)[O-])c2)c(OCC)c1 1874631997 FPSSNXZHNKCIMI-FMIVXFBMSA-N 429.469 5.086 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 1874633867 YOKILYZXJWOCJF-KPKJPENVSA-N 437.879 6.040 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3cccc(/C=C/C(=O)c4cccc([N+](=O)[O-])c4)c3)c(C)c2c1 1874692618 PLOFLEOYLDRHAG-ZRDIBKRKSA-N 440.455 5.808 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(Cl)c(Cl)c3)c2)cc1 1874694764 SOWZADJFTDUCCN-MDWZMJQESA-N 425.311 6.671 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)[C@@H](C)c3ccccc3)c2)cc1F 1874706852 CEGBPYIRPCEENO-KQPPXVQYSA-N 434.463 5.448 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1cccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)c1 1874710720 IIPGOZYBFHTWEX-PKNBQFBNSA-N 448.946 6.698 30 10 IKEE C=CCN(CC=C)CCC(=O)c1cccc(OC(=O)COc2cc(C)c(Cl)c(C)c2)c1 1874731670 CINSLUBTJUPAAS-UHFFFAOYSA-N 441.955 5.188 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(Cl)c3)c([N+](=O)[O-])c2)c1 1875102119 MOZLDIMVVPFQIQ-CSKARUKUSA-N 437.835 5.372 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3[N+](=O)[O-])cc2)cc1 1875105942 TXKPUWMOIRWBQP-QGOAFFKASA-N 443.499 5.982 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1Cl)c1ccc(F)c(F)c1 1875113610 PKHFZFQJADNPNO-WEVVVXLNSA-N 433.237 6.387 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)cc3)cc2Cl)c1 1875114209 OJADZECZHHSPJH-NTUHNPAUSA-N 436.891 5.863 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3C)c(OC)c2)cc1 1875131191 LORUQJWVWWJXKI-CXUHLZMHSA-N 444.527 5.837 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2Cl)cc1 1875148143 CKFPTYKLQWJEDP-PJQLUOCWSA-N 448.946 6.761 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)c1cccs1 1875157010 OBCTVZOCHFSCAN-NTEUORMPSA-N 446.568 6.724 30 10 IKEE CCCCC(=O)Oc1c(OCC)cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] 1875163835 FYXAZJHIIAPLQP-JXMROGBWSA-N 433.407 5.263 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)ccc1OC(=O)C1CCCC1 1875164410 IXRVMFSUNGLRMQ-GZTJUZNOSA-N 442.511 6.479 30 10 IKEE COCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1OC 1875164731 YAROEHVJQJNEEO-RIYZIHGNSA-N 432.472 5.326 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(C)c(C)c3)cc2)c(C)c1C 1875167619 IXYUYISKXAXNEN-NTEUORMPSA-N 444.527 5.809 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)c2ccccc12 1875190395 LCIUKSAMKPJLIL-LZYBPNLTSA-N 442.898 6.617 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]([C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccccc2)C1 1911092696 LNFUZRWGRVXPCE-HOOSLVGPSA-N 429.561 5.404 30 10 IKEE C[C@@H]1[C@@H](Nc2ccc(C#N)c(Br)c2F)CC(C)(C)CN1Cc1ccccc1 1916245300 DUSQWTUCUPZAQQ-BEFAXECRSA-N 430.365 5.561 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CCC[C@]2(C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)C1 1918328992 ITRKWZUUXDYFNZ-XMMPIXPASA-N 445.535 5.251 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)NCCC 1922095430 UKKSMHCERAOUGL-VXNXHJTFSA-N 430.633 5.601 30 10 IKEE c1ccc(CN(CCCN=C2N[C@@H](CC3CCCCC3)CS2)Cc2ccccc2)cc1 1926703910 NBRYWAATIZDHSF-SANMLTNESA-N 435.681 6.110 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CCN(C(=O)OC(C)(C)C)C2(CC2)C1 1949347479 GKCCUDVQIXNJFX-GOTSBHOMSA-N 428.617 5.307 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1scc(Br)c1C 2041206710 OLLMWWVUGOWJOW-HZPDHXFCSA-N 429.424 5.166 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@]2(CC[C@@]2(C#N)N(C(=O)OC(C)(C)C)c2ccccc2)C1 2066137752 DKZPHIRVPCUSDN-DQEYMECFSA-N 441.572 5.502 30 10 IKEE CC1=C(B2OC(C)(C)C(C)(C)O2)CCN(C(=O)c2cscc2OCc2ccccc2)C1 2077141923 LKRMQQCOJFTFRG-UHFFFAOYSA-N 439.386 5.121 30 10 IKEE Fc1ccc(C(F)(F)F)cc1-n1nc(C2CCC2)c(Br)c1C(F)(F)F 2079002049 AXUQFYLSKOMVEC-UHFFFAOYSA-N 431.149 6.079 30 10 IKEE Cc1ccc([C@@H](n2nc(C3CC3)c(C#N)c2I)C(C)(C)C)c(C)c1 2079030847 BGYMOHPUZVHMIE-GOSISDBHSA-N 433.337 5.489 30 10 IKEE COc1ccc([C@@H](C2CCC2)n2nc(C(F)(F)F)c(C=NO)c2Br)c(C)c1 2079944693 VEGZIEGPFNUHSD-OAHLLOKOSA-N 446.267 5.179 30 10 IKEE CC(C)(C)n1nc(C(F)(F)F)c(-c2cccc(C(F)(F)F)c2F)c1Br 2080911256 GOSLSQDLIYNMAF-UHFFFAOYSA-N 433.165 6.244 30 10 IKEE CCCCCC#CC[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2083385439 FMYZSXDAIYAWTR-HHHXNRCGSA-N 428.572 6.852 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2c(C)sc(C)c2Br)cc1 2092952864 LBTCTAKQDZFIIL-MRXNPFEDSA-N 435.387 6.442 30 10 IKEE N#C[C@@H](Nc1ccccc1F)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134726272 SIBNALVOYHBXKW-AREMUKBSSA-N 438.502 6.660 30 10 IKEE C=C(CNC(=O)c1cc(C(C)C)ccc1NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2136873783 DSUCEWHIMUMJMT-UHFFFAOYSA-N 444.381 5.074 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H](CCNc2ccc(C#N)c(Br)c2F)CC1 2162403087 PONXGVMUFQBPEE-AWEZNQCLSA-N 440.357 5.299 30 10 IKEE CC(C)(C)OC(=O)N1Cc2ccc(CNc3cc(Br)cc(C#N)c3)cc2C1 2162416918 XHVPWCCCZBVZOV-UHFFFAOYSA-N 428.330 5.184 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(F)c(C(=O)Nc2ccc(C#N)c(Br)c2)c1 2181143363 HLXZJNDNMWUXSH-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Cl)c(Cl)cc1Cl 2201289475 QXWPIQZXNPWGBY-ROUUACIJSA-N 435.823 6.547 30 10 IKEE CCC1CCC(NC(=O)OC(C)(C)C)([C@@H](O)C#Cc2ccccc2Br)CC1 2235727635 GKZFDGRRXUSXAW-UEUGHCDMSA-N 436.390 5.025 30 10 IKEE C=CCC1(Nc2ccc([N+](=O)[O-])c(Br)c2)CCN(C(=O)OC(C)(C)C)CC1 2237707164 PCZSBYCPEHSLHB-UHFFFAOYSA-N 440.338 5.115 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1sc(Br)c(C)c1C 2265903983 IDDXYEAHQIELDZ-JKSUJKDBSA-N 443.451 5.475 30 10 IKEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)cc(C(C)C)c1 2280716892 AUCZHTZSCMHNSV-UXHICEINSA-N 437.422 5.530 30 10 IKEE COc1cc(C=C2SC(=Nc3cc(C)cc(C)c3)NC2=O)ccc1OCc1ccccc1 2294025376 NLBJQHHYGLQKQU-UHFFFAOYSA-N 444.556 5.783 30 10 IKEE CCC[C@@H](CCNC(=O)OC(C)(C)C)CCC(=O)C#Cc1ccc(Br)cc1 2296223862 DUBZSEIBAZHHCD-QGZVFWFLSA-N 436.390 5.481 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cc(Cl)cc4c2OCOC4)C3=O)cc1 2296872172 XZMSGUMZNPEWPN-UHFFFAOYSA-N 448.858 5.350 30 10 IKEE CCOc1cc(C=C2SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)ccc1O 2297455867 NAPOFXOYNJXIQX-UHFFFAOYSA-N 444.556 6.216 30 10 IKEE C=CCOc1ccc(C=C2C(=O)N(c3ccc(C)c(C)c3)C(C)=C2C(=O)OCC)cc1OC 2297533000 XAZKCCIPBRQRHW-UHFFFAOYSA-N 447.531 5.144 30 10 IKEE CSc1cc(NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)ccc1C#N 2308055038 BVKBTMWGXDSEII-UHFFFAOYSA-N 429.589 5.163 30 10 IKEE O=C1NC(=Nc2ccccc2Cl)SC1=Cc1ccc(OC(=O)c2ccccc2)cc1 2313530545 GWNKLRTWMIMJOM-UHFFFAOYSA-N 434.904 5.451 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2Oc3ccc(Cl)cc3C2=O)cc1C 2314519499 QTTQPTAXONQWHF-UHFFFAOYSA-N 442.902 6.126 30 10 IKEE O=C1C(=Cc2cccc([N+](=O)[O-])c2)SC(=Nc2cccnc2Cl)N1c1ccccc1 2314539795 BBKDYTMYTJAMJG-UHFFFAOYSA-N 436.880 5.452 30 10 IKEE CN1C(=O)C(=Cc2ccccc2OCc2ccc(Cl)cc2)SC1=Nc1cccnc1 2314540862 ADQSDFHWWSSKLD-UHFFFAOYSA-N 435.936 5.548 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CC3)n2N=Cc2ccc(Br)cc2)c1 2320856537 KYOKOHOAWQUYJP-UHFFFAOYSA-N 441.398 5.709 30 10 IKEE Cc1nnc(SCc2cccc(Cl)c2)n1N=Cc1cccc(OCc2ccccc2)c1 2321184010 ZMDYNOLKTKZMFL-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE CCSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1N=Cc1cccc(C)c1 2321359019 NYJZJMPLNYPKPX-UHFFFAOYSA-N 449.407 5.899 30 10 IKEE C=Cc1ccc(COc2cc(C)c3c(c2)OC(=Cc2ccc(Cl)c(Cl)c2)C3=O)cc1 2321876187 ZOYQNYIPTLBFKW-UHFFFAOYSA-N 437.322 7.140 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc4c3CN(CCc3ccc(Cl)cc3)CO4)C2=O)cc1 2321928161 RTCJHXWZWYHAPV-UHFFFAOYSA-N 445.946 5.913 30 10 IKEE Sc1nnc(-c2ccccc2)n1N=Cc1c(OCc2ccccc2)ccc2ccccc12 2321944840 JBHYOMAUDHPCBK-UHFFFAOYSA-N 436.540 5.848 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3c(ccc4c3CN(CCC3=CCCCC3)CO4)C2=O)cc1 2322106802 VTOGCBWBTIPVRH-UHFFFAOYSA-N 443.587 6.643 30 10 IKEE Sc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1cccc(OCc2ccccc2)c1 2322115080 GPODJCGERUDWOA-UHFFFAOYSA-N 448.979 5.467 30 10 IKEE CCCCCCCCN1COc2ccc3c(c2C1)OC(=Cc1cccc([N+](=O)[O-])c1)C3=O 2322188359 KBBHNURRQFFUDB-UHFFFAOYSA-N 436.508 5.723 30 10 IKEE Cc1ccc(CN2COc3c(cc4c(c3C)OC(=Cc3ccc(C(C)C)cc3)C4=O)C2)cc1 2322307644 ZUMZXHGJXGXQPJ-UHFFFAOYSA-N 439.555 6.395 30 10 IKEE Cc1ccccc1NC(=O)COc1ccccc1C=CC(=O)c1ccc(Cl)c(Cl)c1 2322580811 JHIRJANDTKLKOO-UHFFFAOYSA-N 440.326 6.215 30 10 IKEE Cc1ccc(C(=O)C=Cc2c(OCc3c(F)cccc3Cl)ccc3ccccc23)cc1 2322586398 XPBOPMXPSMAPFS-UHFFFAOYSA-N 430.906 7.416 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)NCc2ccco2)cc1 2322737798 RQMCMXSFFMWKLU-UHFFFAOYSA-N 437.923 5.648 30 10 IKEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2C)C3=O)cc1OC 2322748478 FIXVUGMXFFHQFO-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE CCCCCOc1ccc(C=C(C(=O)N(CCC#N)C2CC2)c2ccccc2)cc1OC 2322769044 WGLUIQDJNOUROQ-UHFFFAOYSA-N 432.564 5.709 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OCc3ccc(Cl)cc3)c2)cc1C(C)C 2323232173 KGRGJBQKRIRVBS-UHFFFAOYSA-N 434.963 7.256 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2C)C1=O 2323303240 ZTLJSIRDTMNYQI-UHFFFAOYSA-N 449.846 5.700 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(OC)c(OCc3ccccc3F)c(OC)c2)cc1 2323536584 NVDCJQBQUWNCRQ-UHFFFAOYSA-N 448.534 6.661 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OCC(=O)Nc1c(C)cccc1C 2323985613 KVRBWJYCKJXZOT-UHFFFAOYSA-N 447.506 5.673 30 10 IKEE CCc1cccc(CC)c1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1ccc(C)o1)C2=O 2324381413 ORFALNGTCIFBMD-QGZVFWFLSA-N 445.515 5.735 30 10 IKEE Cc1cccc(OCCCOc2ccc3c(c2C)OC(=Cc2ccc(N(C)C)cc2)C3=O)c1 2324567820 MHBDNMHSGWPOJH-UHFFFAOYSA-N 443.543 5.834 30 10 IKEE CCOc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc1OC 2324648268 XHRGGGPKIXQVSE-NRFANRHFSA-N 446.572 6.230 30 10 IKEE CCCC[C@H](Oc1cc(C)c2c(c1)OC(=Cc1c(Cl)cccc1Cl)C2=O)C(=O)O 2324784570 VBWLAWZAYJRUDL-KRWDZBQOSA-N 435.303 5.940 30 10 IKEE Cc1cc(OCC(=O)Nc2cccc(Cl)c2C)cc2c1C(=O)C(=Cc1cccs1)O2 2325054779 DGFWZCJFMURVLW-UHFFFAOYSA-N 439.920 5.652 30 10 IKEE Cc1ccc(NC(=O)CCOc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2325225545 WIVPXXVFHZYGCP-UHFFFAOYSA-N 433.891 5.672 30 10 IKEE Cc1ccc(CCOc2ccc3c(c2)OC(=Cc2ccc(Br)cc2)C3=O)cc1 2325367189 JKGOBANCLKTYLG-UHFFFAOYSA-N 435.317 5.995 30 10 IKEE Cc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(OCc2ccccc2)cc1 2325623130 ZDJYITUBRCTARS-UHFFFAOYSA-N 432.524 5.479 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)CCCOc3cccc(C)c3)c2)cc1 2325719708 WJFBCUMXGWQHEU-UHFFFAOYSA-N 430.500 5.664 30 10 IKEE COc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(Cl)cc3)c2)cc1[N+](=O)[O-] 2325730961 ZFAPMJRPSGYZFF-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccc(C)c(C)c3)c2)cc1 2325733478 XSAKYBOAKXKZFU-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OC(=O)COc1cc(F)ccc1F 2325737832 RFTMBZDMBRKDPK-UHFFFAOYSA-N 438.426 5.162 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4cc(C)ccc4C)cc(C)c3C2=O)cc1 2325741195 ZOICLOCECDRUQX-UHFFFAOYSA-N 441.527 5.808 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3cccc(C=CC(=O)c4ccc(F)c(C)c4)c3)c(C)c2c1 2325742158 RDJAYTISPSTDND-UHFFFAOYSA-N 427.475 6.348 30 10 IKEE Cc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc(F)cc3)c2)c(C(C)(C)C)c1 2325751298 UCBJNSHJVQHVDN-UHFFFAOYSA-N 446.518 6.312 30 10 IKEE CCCOc1ccccc1C=Nn1c(CCCOc2cccc(C)c2)nnc1SCC 2326992090 RHBMCMQZNLIRAO-UHFFFAOYSA-N 438.597 5.381 30 10 IKEE CSc1nnc(CCCOc2ccccc2C)n1N=Cc1ccc(C(F)(F)F)cc1 2327046207 BNPKCPMMNXSHOC-UHFFFAOYSA-N 434.487 5.221 30 10 IKEE CCCCC1CCC(c2nnc(SCC)n2N=Cc2ccc(OC)cc2OC)CC1 2328147387 YQNKIZCXGOJEJI-UHFFFAOYSA-N 430.618 5.754 30 10 IKEE C=CCSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1cn(C)c2ccccc12 2328799998 WJIBHXVRIJISHL-UHFFFAOYSA-N 431.565 5.126 30 10 IKEE CCCSc1nnc(COc2cccc(C)c2C)n1N=Cc1c(Cl)cccc1Cl 2328858415 BXKUSVOZFTXBJI-UHFFFAOYSA-N 449.407 6.165 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OC)cc2)n1N=Cc1c(Cl)cccc1Cl 2329277905 VOMLOWDOIHMQOR-UHFFFAOYSA-N 447.391 5.735 30 10 IKEE CCSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1ccc(Br)cc1 2329410825 VWYSOVAALLINQW-UHFFFAOYSA-N 429.387 5.242 30 10 IKEE CCSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1c(OC)ccc2ccccc12 2329414211 GSYWINPXRWYDCW-UHFFFAOYSA-N 430.577 5.642 30 10 IKEE Cc1ccc(O)c(C=Nn2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2C)c1 2329805451 MBKUTWDOSXERFI-UHFFFAOYSA-N 446.551 5.505 30 10 IKEE CCSc1ccc(C(=NOCc2cc(=O)c(OCc3ccccc3)cn2C)C2CC2)cc1 2330391994 FPGCRHYVELNHDT-UHFFFAOYSA-N 448.588 5.407 30 10 IKEE CC(=Cc1cccc(Cl)c1)C(=O)N[C@H](C(=O)Nc1ccccc1C#N)c1ccccc1 2330518928 JBJWIPNOVDHAIS-QHCPKHFHSA-N 429.907 5.111 30 10 IKEE Fc1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2cccc3ccccc23)cc1 2330640006 IHJFCHFLSJPECH-UHFFFAOYSA-N 438.531 6.412 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccccc3)n2N=Cc2ccc(O)c([N+](=O)[O-])c2)c1 2330645660 HRBKJZJHKZGVNQ-UHFFFAOYSA-N 445.504 5.042 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(Cl)c1OC(=O)C1CCCC1 2330678618 CATUXMQQKYIINP-UHFFFAOYSA-N 438.951 6.219 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)CC(C)(C)C)c(OC)c2)cc1 2330827040 DFOAZWVPLBAXKA-UHFFFAOYSA-N 438.564 6.284 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)CC3CCCCC3)c([N+](=O)[O-])c2)cc1 2330833391 FNKQKXLZBQJLRB-UHFFFAOYSA-N 449.547 6.709 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)cc2)cc1OCC 2330979920 LNWYVYCZHXRDHJ-UHFFFAOYSA-N 438.564 6.646 30 10 IKEE Clc1ccc(CSc2nnc([C@H]3CCCO3)n2N=Cc2c[nH]c3ccccc23)cc1 2330986790 OGSYFEZOPQYKQF-HXUWFJFHSA-N 437.956 5.439 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)c1cccs1 2331142428 NVDHPVSYTOMJDS-UHFFFAOYSA-N 428.893 5.534 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2Cl)cc1 2331142739 FUACUBGDYSLXJC-UHFFFAOYSA-N 441.310 6.507 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)COCc1ccccc1 2331282227 SSOSCNIXEAVBMP-UHFFFAOYSA-N 430.500 5.412 30 10 IKEE CC(C)CC(=O)Oc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1Br 2331416382 CYWGZIIDKVPKAY-UHFFFAOYSA-N 443.381 6.594 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2ccccc2C)c1 2331496398 SOZBFNGCSAARIT-UHFFFAOYSA-N 433.581 5.084 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)[C@H]1CCCO1 2331507831 COOOCEOTPDKQFG-XMMPIXPASA-N 434.532 5.528 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2Br)cc1)c1ccc(F)c(F)c1 2331554991 BTGPHYSIIMAENC-UHFFFAOYSA-N 443.243 5.843 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)cc(OC)c1OC(=O)CC(C)C 2331630440 MTPZVYZETCILOM-UHFFFAOYSA-N 436.548 5.897 30 10 IKEE CC(C)c1nnc(SCc2ccc(F)cc2)n1N=Cc1cccc(Br)c1 2331678674 SRQABRQZGIGAAO-UHFFFAOYSA-N 433.350 5.478 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1OC 2331859089 KEEOYMPTZLPDQJ-UHFFFAOYSA-N 427.711 6.257 30 10 IKEE CC1(C)OB(/C=C/c2ccc(Nc3ccc(OCc4ccccc4)cc3)nc2)OC1(C)C 2339578882 NTUZTJBPPUKRGP-WUKNDPDISA-N 428.341 6.049 30 10 IKEE Cc1csc(CNc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)c1Br 2365050307 LLEXKIVZFULVGW-UHFFFAOYSA-N 435.196 5.471 30 10 IKEE CC1=C(C(=O)OC2CCCC2)[C@H](c2cccc3ccccc23)C2=C(CC(C)(C)CC2=O)N1 3098418 BBJHERABUHMPPB-VWLOTQADSA-N 429.560 5.930 30 10 IKEE COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccn2)cc1OC 21227114 SPZZTHZIDBHMTH-MRDQGFSESA-N 427.504 5.078 30 10 IKEE O=C1C[C@@H](c2ccccc2Cl)CC2=C1[C@H](c1cccc(Cl)c1)Nc1ccccc1N2 21242606 DPTRDXSDSABZCV-LMKMVOKYSA-N 435.354 6.973 30 10 IKEE C(=N/c1ccc(Oc2cccc(Oc3ccc(/N=C/c4ccoc4)cc3)c2)cc1)\c1ccoc1 22022724 ATQRPOYJCRWQLV-YAGSLNJISA-N 448.478 7.958 30 10 IKEE O=C1C=CC2=C3Oc4c(ccc5cc(O)ccc45)[C@H](c4ccccc4C(=O)O)[C@H]3C=CC2=C1 33394736 VNHHOVLAMIJEAS-ILBGXUMGSA-N 434.447 5.273 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C/c1ccc(Br)cc1)C2=O)c1cccs1 33758749 XRFOLUPJUCVGEX-LICLKQGHSA-N 427.275 5.346 30 10 IKEE C/C(=C1/S/C(=N/c2cccc(C(=O)O)c2)N(c2ccccc2)C1=O)c1ccc(C)c(C)c1 39866794 ZNEJYVVOQKQHDP-KKCWGVMOSA-N 442.540 6.200 30 10 IKEE Cc1c(C(=O)Oc2ccc(F)cc2)oc2c1/C(=N/Nc1cccc(C(F)(F)F)c1)CCC2 40824109 URWSTPAWPLKKPE-RDRPBHBLSA-N 446.400 6.118 30 10 IKEE Cc1cc(OC(=O)c2ccc(F)cc2)cc2c1C(=O)/C(=C/c1cn(C)c3ccccc13)O2 41292157 BCPMMTDFIIAHID-FMCGGJTJSA-N 427.431 5.461 30 10 IKEE COc1ccc(CN2COc3cc(C)c4c(c3C2)O/C(=C\C=C\c2ccccc2)C4=O)cc1 41649448 ABJPFRWBSLKICW-AJRXITOCSA-N 439.511 5.528 30 10 IKEE Cc1ccc(/N=C/c2cccc(OCc3ccccc3)c2)cc1I 59518469 GAZDWDZYLGCLNN-OEAKJJBVSA-N 427.285 5.929 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(NC(=O)CN(CC)CC)c(C)c2)c1 62050173 HSVXBURYPXXXMF-UHFFFAOYSA-N 436.600 5.365 30 10 IKEE Cc1ccc(-c2c(C)sc3ncnc(NCCC(=O)Nc4ccccc4C#N)c23)cc1 71529506 LFBVFBADJVHALM-UHFFFAOYSA-N 427.533 5.288 30 10 IKEE COc1cc(/C=C/C(=O)N[C@@H](c2ccc(Cl)cc2)c2ccsc2)ccc1OCC#N 72026943 WCLJNGHETJPSOT-BSQRELMASA-N 438.936 5.231 30 10 IKEE COc1ccc(/C=C(\C(=O)c2ccc(OC)c(OC)c2)c2nc3ccccc3o2)c(OC)c1 97513839 AYWGLLXWKRHNOW-CPNJWEJPSA-N 445.471 5.286 30 10 IKEE CCCCCCCOc1ccc(NCC(=O)Nc2ccccc2OC[C@@H]2CCCO2)cc1 100077612 ROHWCIKPJOLPDT-QHCPKHFHSA-N 440.584 5.644 30 10 IKEE CCCCCCCOc1ccccc1[C@@]1(C)Nc2ccccc2C(=O)N1Cc1ccco1 100133198 MEJXCWNVTZNPKK-MHZLTWQESA-N 432.564 6.570 30 10 IKEE CCCCCCCOc1ccc(NC(=S)NC(=O)c2cccc(OCC(C)C)c2)cc1 100249934 XBWXWYDMIYHJIH-UHFFFAOYSA-N 442.625 6.197 30 10 IKEE CCCCCCCC(=O)NN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1ccc(OC)cc1 101314366 VTIPQFDDWJOKQQ-QFIPXVFZSA-N 429.948 5.307 30 10 IKEE CCCCCCCCCCn1c(CCNC(=O)/C=C/c2ccccc2)nc2ccccc21 101323620 SLBWJFPIKDUPEW-FMQUCBEESA-N 431.624 6.549 30 10 IKEE O=C(/C=C\c1cccc(O)c1)C(C(=O)/C=C\c1cccc(O)c1)=C1SCCCCS1 101461068 WUAJFLDSHPHBDV-HWAYABPNSA-N 438.570 5.434 30 10 IKEE CCCCCCCCCCCn1c([C@H](C)NC(=O)c2ccc(C)cc2)nc2ccccc21 102113062 SPQYDXHSKOAPPV-QHCPKHFHSA-N 433.640 7.367 30 10 IKEE Cc1ccc(CN2c3ccccc3C(=O)/C(=C/Nc3ccccc3Cl)S2(=O)=O)cc1 105285727 ANHDSTGRRTUDFC-HMAPJEAMSA-N 438.936 5.135 30 10 IKEE O=C1CCCC2=C1[C@@H](c1cccc(OCc3ccc(Cl)c(Cl)c3)c1)NC(=S)N2 169938926 JYSDXKSJDKJWOS-HXUWFJFHSA-N 433.360 5.098 30 10 IKEE CCCCCCCCCOc1ccc([C@@H]2NC(=S)NC3=C2C(=O)CCC3)c(Cl)c1 169938994 WGBCJBJGTMMFPC-QFIPXVFZSA-N 435.033 5.995 30 10 IKEE COC(=O)c1sc(N/N=C\c2cccc(OCc3ccccc3)c2)nc1-c1ccccc1 169940832 QDTAUSINFKZCCN-QQXSKIMKSA-N 443.528 5.622 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2cccs2)c1 169981695 AVRDTOQOHLHUEM-QFIPXVFZSA-N 449.528 5.247 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2ccccc2)c1 170047312 FNAMIBYUJYJDAL-OAQYLSRUSA-N 448.544 5.332 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 170063970 OAITWZBHNLQKOT-HXUWFJFHSA-N 443.808 5.540 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(OC)cc2)cc1C 170114865 GSMZTDQINNDTLR-DEOSSOPVSA-N 449.547 5.313 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccs2)cc1 170159256 MFDGROMNYNADPE-QFIPXVFZSA-N 433.529 5.566 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C(C)(C)C)ccc3C)[C@@H]2c2ccccn2)cc1 170174425 AZDCHZDQBANBJA-DEOSSOPVSA-N 440.543 5.779 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccnc2)ccc1OC(C)C 170183269 GLVYBBSHNXWTIV-QFIPXVFZSA-N 448.544 5.017 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccncc1 170211207 JNFBODHAYHASNS-HSZRJFAPSA-N 436.552 5.193 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1ccc(F)cc1 170243906 LQVJXJBFMQPKSE-HSZRJFAPSA-N 437.555 6.200 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C2CCCC2)cc1 170246204 HLIQXZXYWPGGBP-AREMUKBSSA-N 439.555 6.484 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccco2)c1C 170286086 ODXSRCYVWNZMRE-WNSKOXEYSA-N 429.472 5.003 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccc(C)o2)cc1Cl 170300347 WNWYFOMXMCNQNG-NRFANRHFSA-N 437.879 5.341 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(C(F)(F)F)cc2)c1 170345087 UPAMBIJPUALMES-FQEVSTJZSA-N 438.405 5.192 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C(C)(C)C)cc2)cc1 170390622 VDZBMOQUPVSXRD-HSZRJFAPSA-N 429.516 5.922 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@H]1c1ccc(C(C)(C)C)cc1 170467901 ZIXLQVXVIRDKEU-FQEVSTJZSA-N 443.946 6.292 30 10 IKEE CCCCCCCc1ccc(-c2ccccc2)c([C@]2(F)CC=CC(CCCCC)=C2F)c1 198866452 KAZZSUGOFOTCDX-SSEXGKCCSA-N 436.630 9.795 30 10 IKEE COc1cc([N+](=O)[O-])cc(C=Nc2ccc3oc(-c4cccc5ccccc45)nc3c2)c1O 254396255 MMKNEGWWHJENRT-UHFFFAOYSA-N 439.427 6.021 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(F)cc2)c1 526487598 CPCTYHYJDDZZLD-RUZDIDTESA-N 442.490 5.933 30 10 IKEE Cn1cc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c2ccccc21 526487605 CTLJLGIEPPHYPC-XMMPIXPASA-N 439.902 5.761 30 10 IKEE CC(C)COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccccn2)c1 526488857 RBMOYXCCHROPPJ-XMMPIXPASA-N 425.488 5.045 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccc(OCC)c2)c1 526490384 VYDJKTSMBLOHKM-RUZDIDTESA-N 440.499 5.413 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccc(F)c2)c1 526516320 MLEHTXDCRRGPDR-VWLOTQADSA-N 442.490 5.933 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2ccc(F)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 526607504 RGYKNHSOSLTUKP-NRFANRHFSA-N 439.273 6.061 30 10 IKEE CCOc1cc(/C=N\n2cnnc2SCc2cccc3ccccc23)ccc1OC(C)C 526820030 IOPYBMXJYHRJRL-DICXZTSXSA-N 446.576 5.792 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccccc1OCC 526821649 DDORDGKISXYSOW-IMRQLAEWSA-N 444.604 6.347 30 10 IKEE N#Cc1cccc(/C=C\c2nc(Cc3nc(O)c4c(-c5ccccc5)csc4n3)no2)c1 546248358 WDQCJPHQJCJPHU-KTKRTIGZSA-N 437.484 5.080 30 10 IKEE Cc1cc(Cl)ccc1N(Cc1cccc(C#N)c1)S(=O)(=O)c1ccccc1Cl 586225660 QKLMJRJKZBACBL-UHFFFAOYSA-N 431.344 5.569 30 10 IKEE Cc1ccc(-c2csc3ncnc(Nc4ccc(OCc5ccc(C#N)cc5)cc4)c23)cc1 586470793 GDWKQNAXDBDMQR-UHFFFAOYSA-N 448.551 6.861 30 10 IKEE C=CCN(CC=C)C(=O)Nc1ccc(C(=O)NC2CCCCCCCCCCC2)cc1 586642635 MKSPDLSEKNFMBW-UHFFFAOYSA-N 425.617 6.296 30 10 IKEE CCOc1ccc(C(=O)/C=C2\SC(=Nc3ccc(-c4ccccc4)cc3)NC2=O)cc1 606656689 IHDYWZIIDYTUGR-KQWNVCNZSA-N 428.513 5.370 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 698853152 AQKHODKXQDWRJB-NTKDMRAZSA-N 447.551 5.639 30 10 IKEE CC1CCC2(CC1)CS/C(=N/CC1(N(Cc3ccccc3)Cc3ccccc3)COC1)N2 705693149 VRLNXPLWXWEOHJ-UHFFFAOYSA-N 449.664 5.099 30 10 IKEE Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(N=Cc3ccc(Br)cc3)cc1)N2 1084570922 AARNPXITCXVHCB-MVERNJQCSA-N 443.388 7.335 30 10 IKEE CC(C)OC(=O)CSc1n[nH]c(NN=Cc2ccc3ccc4cccc5ccc2c3c45)n1 1084609360 ROEACJJQXWMXGI-UHFFFAOYSA-N 443.532 5.192 30 10 IKEE C[C@@H]1CC(=Nc2ccc(F)cc2)c2cc(F)ccc2N1S(=O)(=O)c1ccc(Cl)cc1 1088694404 WHVYYHSGFGGGRC-CQSZACIVSA-N 446.906 5.727 30 10 IKEE CCN(Cc1nc(O)c2ccccc2n1)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 1624023858 IDFWDKNLRWEHSJ-UHFFFAOYSA-N 439.475 5.053 30 10 IKEE CCc1ccc(C[C@@H]2SC(=Nc3ccc(C(=O)O)cc3)N(Cc3ccccc3)C2=O)cc1 1772728086 MSJZFAJEMZISDW-QHCPKHFHSA-N 444.556 5.322 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=Nc1ccc(C(=O)O)c(O)c1 1772762077 HBRMMDHRAATCNS-YTSXSWHBSA-N 437.304 5.021 30 10 IKEE Cc1cc(Cl)cc2c1OC1(CCN(c3nccc(-c4ccccc4)c3C#N)CC1)CC2=O 1859823035 TXXMWEABDMZGLB-UHFFFAOYSA-N 443.934 5.587 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)c1ccccc1C(F)(F)F 1861044700 OCQKDROQICHFST-JOCHJYFZSA-N 428.539 5.861 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)/C=C/c1ccc(OCC)cc1 1861581835 QTRNKYHSIBRAAW-ARHOYUFESA-N 430.633 5.640 30 10 IKEE CCCCc1cc(C(=O)Nc2ccc(C#N)cc2)nn1Cc1ccc(Cl)c(Cl)c1 1862328521 DIHKJXJLIZFALU-UHFFFAOYSA-N 427.335 5.705 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1Cl 1862380175 VVOLNKVNIDBZQW-HXUWFJFHSA-N 439.298 5.167 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccccc2C)cc1C 1862400973 QQHNFKMUIVMILN-VWLOTQADSA-N 441.527 5.133 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccccc1Cl 1862417525 SXAWCFWLWIDJQL-HXUWFJFHSA-N 449.881 5.012 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(OCCC)cc1 1862436996 HAOGWXXZANMSKW-NRFANRHFSA-N 427.928 5.507 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862480295 CMJFDYAAJUAWNU-QHCPKHFHSA-N 448.519 5.594 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCCCC2)cc1 1862493739 XGVIKBXONXJLEQ-VWLOTQADSA-N 447.575 6.003 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(C(C)C)cc1 1862526424 GJUDTRYLDYCHCN-IBGZPJMESA-N 428.326 5.171 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CCCCCO)cc1 1862580831 SUBCTVFDSLIXAC-HXUWFJFHSA-N 448.346 5.043 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(OC)cc1 1862674110 SPGRFNLTZWCKPK-NZQKXSOJSA-N 439.527 5.772 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(Cl)cc1Cl 1862689989 FAQLJBANBFYTOX-BUXKBTBVSA-N 434.319 5.379 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 1862692369 KRSMXUVZZASZBX-XMMPIXPASA-N 449.591 6.151 30 10 IKEE N#Cc1ccc(NC2=C(c3ccccc3Cl)C(=O)N(c3cccc(Cl)c3)C2=O)cc1 1863071041 SNEPLTVETOSZNB-UHFFFAOYSA-N 434.282 5.262 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2C)=C(c2ccc(NC(C)=O)cc2)C1=O 1863187134 BIELRRKLSDLKSM-UHFFFAOYSA-N 447.579 5.506 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C(=O)OC)c2)=C(c2ccc(C)cc2)C1=O 1863267269 AQNGEMKSFMBYPZ-UHFFFAOYSA-N 448.563 5.334 30 10 IKEE CCCCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CCC)[C@H]1c1ccco1 1864456987 CFKGYHNLEJEHPB-OAQYLSRUSA-N 442.604 5.146 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)c2cccc(Br)c2F)c1 1866138412 LQJBFSXAEDSJPU-UHFFFAOYSA-N 437.268 5.252 30 10 IKEE N#Cc1nnn(Cc2c(Cl)cccc2Cl)c1NC(=O)c1ccc(Cl)c(Cl)c1 1870105083 YROSUINZCMRMPR-UHFFFAOYSA-N 441.105 5.064 30 10 IKEE C=CCn1cc(OCCCCCC)c(=O)cc1CSc1nc2ccccc2n1CCC 1870186358 IGKBVQJHMGZTAI-UHFFFAOYSA-N 439.625 6.045 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCOc2ccc(C(C)(C)C)cc2)cn1CCC 1870590839 KBEHLLSJJVMDJC-UHFFFAOYSA-N 438.612 5.188 30 10 IKEE C=CCOc1cn(Cc2ccccn2)c(CNc2ccc(Oc3ccccc3)cc2)cc1=O 1870812701 XYZHJMWVABUVQY-UHFFFAOYSA-N 439.515 5.261 30 10 IKEE C=CCn1cc(OCC(=O)Nc2c(C)cccc2C(C)C)c(=O)cc1CNc1ccccc1 1870822865 LSKXZHFHXBFOHV-UHFFFAOYSA-N 445.563 5.096 30 10 IKEE CCCCCCCOc1cn(CCCOC)c(CNc2ccc3cc[nH]c3c2)cc1=O 1870830543 TZVONQYISSEDKI-UHFFFAOYSA-N 425.573 5.327 30 10 IKEE C=CCn1cc(OCc2ccc(CC)cc2)c(=O)cc1CNc1ccc(CC)c([N+](=O)[O-])c1 1870890431 XAKPUOBWNHXBJR-UHFFFAOYSA-N 447.535 5.258 30 10 IKEE C=CCn1cc(OCc2cccc(F)c2)c(=O)cc1CNc1ccc(Br)cc1 1871062887 QSCPEBFBZATBKE-UHFFFAOYSA-N 443.316 5.127 30 10 IKEE CN(C)c1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(F)c(F)c4F)ccc3C2=O)cc1 1871370672 YTWZEVNKPJUYAV-JAIQZWGSSA-N 439.389 5.005 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)c3C)C2=O)cc1 1871372817 MNVUQZJFUDVKGH-NHDPSOOVSA-N 449.846 5.700 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)c1 1871388843 MHKLLZOGYGYMTG-UCQKPKSFSA-N 432.859 5.740 30 10 IKEE CCCN(CCC)Cc1c(O)cc(C)c2c1O/C(=C\c1ccc(Br)cc1)C2=O 1871394302 PGKMNQVFEOGLFU-MOSHPQCFSA-N 444.369 5.701 30 10 IKEE O=C1/C(=C/c2cccc(Br)c2)Oc2cc(OCCCc3ccccc3)ccc21 1871399744 QVZVUKYMHVSREG-HAHDFKILSA-N 435.317 6.077 30 10 IKEE COc1ccc(CCOc2cc(C)c3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1 1871448452 QBCBMDORMIBBAL-QQXSKIMKSA-N 428.528 6.365 30 10 IKEE CCOc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871452147 HMTRAMAWMGMKPJ-OYKKKHCWSA-N 443.499 5.336 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccccc4C)c3C)C2=O)cc1 1871453909 XSSPBTXCWIEEMW-IWIPYMOSSA-N 427.500 5.500 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1ccc(C)cc1 1872299992 NROPMSPJCHBMCH-JOCHJYFZSA-N 449.016 5.331 30 10 IKEE CCOc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872760873 ZSQKKIUYRTUTIT-FQEVSTJZSA-N 432.545 5.343 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(OC)cc3OC)n2)cc1 1872762838 XRFONCLEZQKAFO-VKXNWWILSA-N 446.572 6.060 30 10 IKEE CC(C)c1csc([C@@H](C#N)C(=O)CCCOc2ccc(Br)cc2Cl)n1 1872774208 KIMNDCQEPJVGEG-ZDUSSCGKSA-N 441.778 5.718 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(C(C)C)c(C)c2)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873276581 OKVYWBJSGNTJGN-UHFFFAOYSA-N 436.555 6.163 30 10 IKEE CCCCCCCCNC(=O)[C@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 1873892138 UCTXUWCQIOWCEK-AREMUKBSSA-N 446.635 6.216 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3c(Cl)cccc3Cl)c(=O)oc2c1 1873946160 YHUWWNXGPTXISB-UHFFFAOYSA-N 432.303 5.544 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccccc1O 1874213090 UUPRMMQIEGYLAA-ZVHZXABRSA-N 442.972 5.199 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SC)n1/N=C/c1ccc(C(F)(F)F)cc1 1874227990 NAJNFKBDNSJJCT-DHRITJCHSA-N 448.470 5.045 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccc(Cl)cc3)n2/N=C/c2ccccn2)cc1 1874262793 QVPQABJSECSHSL-VULFUBBASA-N 449.967 5.388 30 10 IKEE C=CCSc1nnc(-c2ccccc2Cl)n1/N=C/c1cccc(OC)c1OCCC 1874367957 SHFBEOGLZDLKLT-BUVRLJJBSA-N 442.972 5.556 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2/N=C/c2ccccc2O)cc1 1874390873 JPBNARSNZMLAGC-CVKSISIWSA-N 448.979 5.711 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@H](C)c3ccccc3)n2/N=C/c2cccs2)c1 1874398798 FLMZAIMUHNWBMZ-KWXFCVSUSA-N 432.618 6.283 30 10 IKEE CCc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCc2ccc(C)cc2)cc1 1874411360 PGMDMZVZCRQLSD-PCLIKHOPSA-N 432.618 5.976 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2)c1OC 1874428092 RLIBPUGBZPBBPC-PCLIKHOPSA-N 430.533 5.137 30 10 IKEE Cc1ccccc1CSc1nnc(CC(C)(C)C)n1/N=C/c1cc(Cl)ccc1O 1874437310 URQFYFPDHZTDNY-ZMOGYAJESA-N 428.989 5.709 30 10 IKEE CCCOc1ccccc1/C=N/n1c(CCOC)nnc1SCc1ccccc1Cl 1874472514 JDHWXYZSJYYLNP-BUVRLJJBSA-N 444.988 5.084 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccccc2Cl)c1OCc1c(F)cccc1Cl 1874574999 PPCYPKDWBOJASM-OUKQBFOZSA-N 431.290 6.616 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cc(Cl)ccc1OCCc1ccccc1 1874590681 QOMBLZPNCHEMGQ-SDNWHVSQSA-N 432.991 7.464 30 10 IKEE CCc1ccccc1NC(=O)COc1cccc(/C=C/C(=O)c2cc(C)ccc2OC)c1 1874596828 FNEFSKJXEBJMAE-BUHFOSPRSA-N 429.516 5.480 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Cl)cc1 1874616225 OTHSTVBCQIHNIF-ONNFQVAWSA-N 447.745 7.131 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(Br)c(OCC)c(OCC)c2)cc1 1874617369 YDXIDUZJIUAZOY-KPKJPENVSA-N 433.342 5.931 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc([N+](=O)[O-])c1OCc1cccc(C)c1 1874618178 NPPUUXKRJPXIOI-VAWYXSNFSA-N 445.515 6.394 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Cl)c1OCc1ccccc1C 1874620207 NUJKRCFVTDEDRX-FMIVXFBMSA-N 438.926 6.970 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1OC(=O)c1ccccc1 1874693301 YCADFAFOTZIGPW-LDADJPATSA-N 434.491 6.478 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1OC(=O)c1ccccc1F 1874706849 BYVSAQRYMFLISD-FYWRMAATSA-N 426.443 6.103 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1OC(=O)c1ccc(F)c(F)c1 1874706912 GIWFTBIPWAQVAW-UKTHLTGXSA-N 444.433 6.242 30 10 IKEE COc1ccccc1CCC(=O)Oc1cccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)c1 1874710404 ANSVJNSRBWKDRH-FYWRMAATSA-N 442.555 6.363 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)[C@H](C)c1ccccc1 1875094941 QMCGBWFBPCMTBN-MLFXKNMZSA-N 431.444 5.209 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)ccc1OC(=O)Cc1ccc(C)c(C)c1 1875102973 IVFLPDFZCHENRY-RVDMUPIBSA-N 442.555 6.309 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COCc3ccccc3)c(Cl)c2)cc1 1875113874 CACNOOMFVYRXCG-NTUHNPAUSA-N 436.891 5.367 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3cccc(Br)c3)cc2)cc1C 1875114066 BTCDHXASPAIFEC-JLHYYAGUSA-N 449.344 6.110 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl 1875116462 CJNNWGDZXQOTSA-WUXMJOGZSA-N 437.835 5.372 30 10 IKEE O=C(CSc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1Cl 1875120926 QFUOSWUBUFFYFZ-UXBLZVDNSA-N 444.886 6.212 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)CC(C)(C)C 1875124636 UXMGFGIDKYGQLU-MDZDMXLPSA-N 435.347 6.630 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)[C@H](C)c1ccccc1 1875131599 GITUJJFOHXMHTG-CMQXMCPJSA-N 444.527 5.926 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)[C@H](C)c1ccccc1 1875151396 JLDCMGVASGBPKS-ZPHJMFTNSA-N 444.483 5.419 30 10 IKEE O=C(Cc1ccc(F)cc1F)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1Cl 1875158329 QAAIWNRGRXYJJJ-XLUWADSXSA-N 430.809 5.802 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CSc3ccccc3)cc2)c(C)c1C 1875167645 KEMVUHMPWIQUAU-RVDMUPIBSA-N 432.541 5.906 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc(Cl)c1OC(=O)CC(C)C 1875188105 OBWWDWRZWFMKGH-CMDGGOBGSA-N 444.955 6.212 30 10 IKEE C=CCC[C@H](C)[C@H](NC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875653544 ZPWNAOWZSGHDKY-PWUSVURUSA-N 445.603 6.068 30 10 IKEE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccc(CC#N)c1 1901535381 SLWWYKFLIGYNDA-VWLOTQADSA-N 439.515 5.008 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21)NCC 1922116426 QEYOPIMCWZCEBP-ISKFKSNPSA-N 436.596 5.667 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@@H](C#N)N(C[C@H]2CCCO2)C(=O)OC(C)(C)C)cc1 1944076550 VENKZQDBQMDCRA-RTBURBONSA-N 431.533 5.014 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 1944696261 YGEBMJNDGUXQHR-APWZRJJASA-N 433.524 5.106 30 10 IKEE C#Cc1cccc([C@H]2[C@@H](C(=O)O)CCN2C(=O)OCC2c3ccccc3-c3ccccc32)c1 1952798039 VCYNXYLDCJSMJU-AHWVRZQESA-N 437.495 5.065 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F 2012163153 XSVKCHFALADBHS-RTBURBONSA-N 444.538 5.219 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@H](C#N)[C@]1(C)CCCN1C(=O)OC(C)(C)C 2020805191 YGQGYHUBINSKPD-JPYJTQIMSA-N 433.524 5.249 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)CCCN(C)C(=O)OC(C)(C)C)cc1 2049127917 RZEJWPBZYDZQDL-DEOSSOPVSA-N 447.576 5.366 30 10 IKEE CC(C)c1nn([C@H](c2ccc(C(F)(F)F)cc2)C2(C)CC2)c(Br)c1C=NO 2079848371 HEBVZQVWWWLPRU-MRXNPFEDSA-N 444.295 5.985 30 10 IKEE Cc1ccc(Br)c(Cn2nc(-c3ccccc3)c(C#N)c2Br)c1 2080352499 PGBDCSICNWNPBT-UHFFFAOYSA-N 431.131 5.304 30 10 IKEE C[C@@]1(C2CC2)CSC(=Nc2ccc(Cl)c(I)c2Cl)N1 2093948384 FDFXORHUGSFVSR-ZDUSSCGKSA-N 427.138 5.091 30 10 IKEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(Cc2ccc(Cl)c(Br)c2)CC1 2137177850 RNDYXLWASCANQJ-UHFFFAOYSA-N 426.591 5.256 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCC[C@@]23C[C@@H](CO2)[C@H]31 2144304102 YELXVXBRTUWLFQ-ULQLWLPVSA-N 433.346 5.042 30 10 IKEE CN(C(=O)OC(C)(C)C)[C@H](CNc1cc(Br)cc(C#N)c1)c1ccccc1 2175021953 DTCIELZQYQWOPG-LJQANCHMSA-N 430.346 5.341 30 10 IKEE N#Cc1c(F)cccc1-c1sc(Br)c(Br)c1Br 2216396454 RRHSJKCNGIIDLY-UHFFFAOYSA-N 439.929 5.713 30 10 IKEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1sc(C)c(C)c1Br 2221829293 DXPXAQZXUIAAFC-GDBMZVCRSA-N 429.424 5.085 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C=C[C@@H](O)C#Cc2ccccc2Br)cc1 2235741575 UVPBDFLNQOUGOV-LJQANCHMSA-N 428.326 5.222 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CCC[C@H](C1)[C@]2(C#N)N(C(=O)OC(C)(C)C)C1CCC1 2249363714 IRERVMGAPVBOIM-HMOVHFLUSA-N 433.593 5.142 30 10 IKEE CN(C(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1)c1ccc(NC(=O)OC(C)(C)C)cc1 2255535443 VPEJUHVKRZCHGR-UHFFFAOYSA-N 430.354 5.013 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCC(=O)O)c1sc(C)c(Br)c1C 2262198911 CZVFORHQLLYOAN-SFHVURJKSA-N 425.344 5.043 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(OC)c(Br)s1 2263736301 QCROBGGHDVEIHB-DOMZBBRYSA-N 433.412 5.029 30 10 IKEE Cc1cccc(C(=O)N(Cc2ccccc2)CC2CCCC2)c1B1OC(C)(C)C(C)(C)O1 2267601856 CCTQHNVJVCYBPY-UHFFFAOYSA-N 433.401 5.127 30 10 IKEE C=CCN(CCC(=O)c1c(F)c(F)c(Br)c(F)c1F)C(=O)OC(C)(C)C 2267842045 WCZOZVGSESKFPQ-UHFFFAOYSA-N 440.231 5.001 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)c1cscc1OCc1ccccc1 2278743914 LPWUWQNKWSWQAN-OAQYLSRUSA-N 426.379 5.792 30 10 IKEE C=CCCC1(C(=O)Nc2cc(F)c(Br)cc2C)CN(C(=O)OC(C)(C)C)C1 2281048718 UBBZIGAZJXDRQK-UHFFFAOYSA-N 441.341 5.038 30 10 IKEE C=CC[C@]1(COc2c(N)ccc(F)c2Br)CCCCN1C(=O)OC(C)(C)C 2287839147 DQTVHPDHMASKEB-HXUWFJFHSA-N 443.357 5.285 30 10 IKEE CCCCCCC[C@](C)(OCCN)c1cc(Br)c(Br)s1 2293673693 RZKAJCKEAPHEBJ-HNNXBMFYSA-N 427.246 5.824 30 10 IKEE CCN=C1SC(=Cc2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)C(=O)N1CC 2294137472 FXLCHAHQBTVRRJ-UHFFFAOYSA-N 444.984 5.630 30 10 IKEE C=CCC[C@@H](C)[C@](C)(OCCCN)c1cc(Br)c(Br)s1 2294219659 WJMAFQJAARQNQY-ABAIWWIYSA-N 425.230 5.456 30 10 IKEE Cc1ccc(Cl)cc1NC=C1C(=O)c2ccccc2N(Cc2ccccc2)S1(=O)=O 2296989350 DVKRFLKWEPFIRQ-UHFFFAOYSA-N 438.936 5.135 30 10 IKEE CCN1C(=O)C(=C2Sc3ccccc3N2C)SC1=Nc1ccccc1Br 2297707704 BMSCJHSRAYNPPW-UHFFFAOYSA-N 446.395 5.443 30 10 IKEE CCc1ccc(N=C2SC(=Cc3cc(C)n(C)c3C)C(=O)N2c2ccc(CC)cc2)cc1 2313555923 DZUJESVBVWKNDO-UHFFFAOYSA-N 443.616 6.575 30 10 IKEE CCN1C(=O)C(=Cc2ccc(-c3c(Cl)cccc3Cl)o2)SC1=Nc1cccnc1 2314540887 ASUBCVXITAFUDS-UHFFFAOYSA-N 444.343 6.272 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CC2)c1 2320892104 RSRFZXKULCIXBP-UHFFFAOYSA-N 447.391 6.036 30 10 IKEE Cc1ccc(COc2ccc(C=Nn3c(C)nnc3SCc3ccccc3F)cc2)cc1 2321153322 NSTCJCZMIRJZLO-UHFFFAOYSA-N 446.551 5.788 30 10 IKEE Cc1c(OCc2ccc([N+](=O)[O-])cc2)ccc2c1OC(=Cc1ccc(C(C)C)cc1)C2=O 2321852313 NSSTUKJTVRRHNF-UHFFFAOYSA-N 429.472 6.222 30 10 IKEE Cc1cccc(C)c1OCc1nnc(S)n1N=Cc1ccc(OCc2ccccc2)cc1 2322092462 QQWKSNSOKTZPDV-UHFFFAOYSA-N 444.560 5.224 30 10 IKEE CCOC(=O)c1ccc(COc2c(C=CC(=O)c3ccccc3Cl)cccc2OC)o1 2322437083 FWWFALRSJAMGPQ-UHFFFAOYSA-N 440.879 5.593 30 10 IKEE CCOc1c(Br)cc(Br)cc1C=CC(=O)c1ccccc1OC 2322481514 YRIUQLTWUHEUQF-UHFFFAOYSA-N 440.131 5.515 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(F)cc2F)c1OCc1cccc2ccccc12 2322502633 WCRKHNMQMGUQRA-UHFFFAOYSA-N 430.450 6.602 30 10 IKEE O=c1c(Cl)c(NN=Cc2ccc(Cl)cc2Cl)cnn1-c1ccccc1Cl 2322624113 SBYJUYANBFBPMY-UHFFFAOYSA-N 428.106 5.292 30 10 IKEE CCc1ccccc1NC(=O)COc1ccccc1C=CC(=O)c1ccc(OC)c(F)c1 2322705097 JVHCJJASZOKBDA-UHFFFAOYSA-N 433.479 5.310 30 10 IKEE CCc1ccccc1NC(=O)COc1ccccc1C=CC(=O)c1ccc(C(C)C)cc1 2322724954 CSMYOIMACQZDRJ-UHFFFAOYSA-N 427.544 6.286 30 10 IKEE Cc1c(OC(=O)c2cccnc2)ccc2c1OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2322807800 XCLMFHCZVYULMO-UHFFFAOYSA-N 433.463 5.892 30 10 IKEE Cc1cc(OC(=O)c2cc3cc(Cl)ccc3o2)cc2c1C(=O)C(=Cc1ccccc1F)O2 2322847290 YJOQFFRQRMRHHJ-UHFFFAOYSA-N 448.833 6.369 30 10 IKEE O=C(Cc1cccs1)Oc1ccc2c(c1)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2322860666 DRBOOWZJKBSZBX-UHFFFAOYSA-N 438.504 6.179 30 10 IKEE Cc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2Br)C3=O)c1 2322880720 QZAFUUUVSUWMSS-UHFFFAOYSA-N 435.273 5.593 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2ccccc2OCCc2ccccc2)cc1Cl 2322969268 MBJOWBBANOAVMW-UHFFFAOYSA-N 427.327 6.520 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OCC(=O)Nc1ccc(F)cc1 2323203696 VMSOAVWZKCEIEF-UHFFFAOYSA-N 447.506 5.871 30 10 IKEE Cc1cc(OC(=O)c2c(F)cccc2Cl)cc2c1C(=O)C(=Cc1ccccc1F)O2 2323353630 UKVMUFKLAGMECG-UHFFFAOYSA-N 426.802 5.762 30 10 IKEE COc1ccc(CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2C)C3=O)cc1OC 2323379384 RIMLYVOVWWPJBR-UHFFFAOYSA-N 444.483 5.085 30 10 IKEE Cc1c(OC(=O)c2cc(Cl)ccc2Cl)ccc2c1OC(=Cc1ccc(F)cc1)C2=O 2323582685 LAIFILASQCNNHQ-UHFFFAOYSA-N 443.257 6.276 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(Cl)c1OCc1cccc(C)c1 2323602141 GRFFUIAFDSRQTM-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)cc2)cc(OC)c1OCc1ccccc1C 2323647653 FHESRQHWXJOOIM-UHFFFAOYSA-N 428.528 6.216 30 10 IKEE CCN(CC)C(=O)COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1Br 2323858405 RIHGCTBBLWKKDW-UHFFFAOYSA-N 444.369 5.209 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OCc1ccccc1F 2324140939 NNHVEDFZUZAJRN-UHFFFAOYSA-N 426.487 6.853 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1 2324155737 IQNSIHGUUQOQGX-UHFFFAOYSA-N 427.544 6.340 30 10 IKEE Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2)C3=O)c(C)c1 2324331533 DXGCZBHEKINONA-IBGZPJMESA-N 427.500 5.634 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1cccs1)C2=O 2324510705 QRRIMYHQQXIKLE-CQSZACIVSA-N 439.920 5.732 30 10 IKEE Cc1ccc(OCCCCOc2cc(C)c3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2324588691 GUBPSNHNLNNZOY-UHFFFAOYSA-N 448.946 6.811 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(Cl)c2)cc(Br)c1OCC 2324623468 DSSGOEWXZYWGPZ-UHFFFAOYSA-N 439.733 5.805 30 10 IKEE CCCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(OC(C)C)c(OC)c1 2325549726 RCBLIWUCDUHCTH-UHFFFAOYSA-N 442.560 5.340 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OCC(=O)Nc4cccc5ccccc45)c3C)C2=O)c1 2325707454 XDXFJHLOOGRLHG-UHFFFAOYSA-N 449.506 6.090 30 10 IKEE Cc1ccccc1NC(=O)COc1cc(C)c2c(c1)OC(=CC=Cc1ccccc1)C2=O 2325714631 QRNMZPVDZMQQTK-UHFFFAOYSA-N 425.484 5.493 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3[nH]c4ccc(C)cc4c3C)c2)cc1F 2325748834 KZCUPKPCUSJFJT-UHFFFAOYSA-N 443.474 6.048 30 10 IKEE COc1ccc(C=CC(=O)c2cccc3ccccc23)cc1OC(=O)[C@H](C)c1ccccc1 2325749477 IYRJUDMJEOZCAV-HXUWFJFHSA-N 436.507 6.454 30 10 IKEE Cc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(Oc4ccccc4)cc3)c2)cc1 2325754681 DQEPENXCYPFKRT-UHFFFAOYSA-N 434.491 6.903 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1OC(=O)c1cncc(C)c1 2325765351 XFXQKEIUGNGXIX-UHFFFAOYSA-N 443.543 6.120 30 10 IKEE C=C(C)CSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1ccccc1O 2325912404 LHLASRLHGISDOU-UHFFFAOYSA-N 449.363 5.420 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1cc(C)ccc1O 2326091503 ZMCVJNDEMRGTDF-UHFFFAOYSA-N 444.988 5.341 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(OC(C)(C)C)cc1 2326358154 BSMFCDYMWMXDGS-UHFFFAOYSA-N 443.016 6.236 30 10 IKEE CCCCOc1ccc(C=Nn2c(CCC)nnc2SCc2cc(C)cc(C)c2)cc1 2326414378 SYLRLOHJUYRFJO-UHFFFAOYSA-N 436.625 6.201 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCC(=C)C)n1N=Cc1cccs1 2326460756 PSEBAQATJRVGNZ-UHFFFAOYSA-N 426.567 5.034 30 10 IKEE CCOc1cc(C=Nn2cnnc2SCc2cccc(Cl)c2)cc(Cl)c1OC 2326461297 AJVJDQZZLWNVCX-UHFFFAOYSA-N 437.352 5.167 30 10 IKEE CCOc1ccc2ccccc2c1C=Nn1c(C)nnc1SCc1ccccc1Cl 2326540941 DSZWIRROQYKBLN-UHFFFAOYSA-N 436.968 5.966 30 10 IKEE CCCCCCCOc1cccnc1NC(=O)C=Cc1cccc(OCc2ccccc2)c1 2326573764 PPOWLRORGUIJCZ-UHFFFAOYSA-N 444.575 6.662 30 10 IKEE CCCOc1ccccc1C=Nn1c(COc2c(C)ccc(C)c2C)nnc1SCC 2327267956 PVYCQCZWWIADQT-UHFFFAOYSA-N 438.597 5.565 30 10 IKEE Cc1cccc(OCc2nnc(SCc3cccc(F)c3)n2N=Cc2ccncc2)c1C 2328833182 XYBCYGKVQPLZOF-UHFFFAOYSA-N 447.539 5.183 30 10 IKEE CCCCOc1ccc(C=Nn2c(Cc3ccc(C)c(C)c3)nnc2SCCC)cc1 2329445541 DKZFPBOKEVKSMR-UHFFFAOYSA-N 436.625 6.049 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2C)n1N=Cc1cccc(F)c1 2329470093 XQCGEHMMBWBMAL-UHFFFAOYSA-N 444.579 5.994 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2)n1N=Cc1ccc([N+](=O)[O-])cc1 2330103694 UQJRSVQIITTYRF-SFHVURJKSA-N 443.532 5.513 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)C=Cc1ccc(Cl)cc1 2330367097 UOJIXWVIEOMAQR-HXUWFJFHSA-N 425.038 5.068 30 10 IKEE Cc1cccc(C)c1OCC(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1 2330680203 ATBSEOPDRIXVNQ-UHFFFAOYSA-N 440.539 6.063 30 10 IKEE O=C(O)c1ccccc1C=Nn1c(SCc2ccccc2Cl)nnc1C1CCCC1 2331077728 CHNQEJYWLQYNQJ-UHFFFAOYSA-N 440.956 5.462 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)cc2)cc1 2331190131 KQPBCBPNHQKJQQ-RPWUZVMVSA-N 446.930 6.344 30 10 IKEE CCOc1c(C=Nn2c(SCCc3ccccc3)nnc2C(C)(C)C)cccc1OC 2331398407 QSOSCDCKPYOHEP-UHFFFAOYSA-N 438.597 5.200 30 10 IKEE CCCSc1nnc(C(C)(C)C)n1N=Cc1ccccc1OCc1ccccc1Cl 2331402524 MDGPZCAHKZTBBK-UHFFFAOYSA-N 443.016 6.192 30 10 IKEE O=[N+]([O-])c1cc(C=Nn2c(SCc3ccccc3F)nnc2C2CCC2)ccc1Cl 2331520783 GPOWIMJTGJIFHI-UHFFFAOYSA-N 445.907 5.421 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OC(=O)CSc1ccccc1 2331571215 FBPXGZBFSGWRRE-UHFFFAOYSA-N 440.467 5.567 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OC(=O)c3c(F)cccc3Cl)cc2)c1C 2331644751 TUOZIUMFZCLXBO-UHFFFAOYSA-N 436.910 6.828 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2sccc2C)c1 2331684513 KMDGVFUJLGEBMQ-UHFFFAOYSA-N 427.599 5.001 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1ccccc1C 2331779718 KDNHTLWCDCWHOV-UHFFFAOYSA-N 428.528 6.434 30 10 IKEE N#Cc1ccc(OCc2ccc(Cl)c(I)c2)c(Br)c1 2337281335 PINASXJNEHMUTR-UHFFFAOYSA-N 448.485 5.158 30 10 IKEE CN[C@H](C#CC1CCC1)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2337416646 DKNSPXXPELIGIG-GGXMVOPNSA-N 441.571 5.270 30 10 IKEE CC1(C)OB(C=Cc2ccc(Nc3ccccc3OCc3ccccc3)nc2)OC1(C)C 2339544228 CVLWLRCVAOWFOE-UHFFFAOYSA-N 428.341 6.049 30 10 IKEE C[C@@H]1C[C@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN1Cc1ccccc1 2339545969 CNVSKGMBAQHOBJ-FAXZBDKVSA-N 433.405 5.191 30 10 IKEE CC[C@@H](NCC1(CCOCc2ccccc2)CC1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363835918 ISHKWFSHQWVEQC-RUZDIDTESA-N 449.444 5.414 30 10 IKEE CC1(C)C[C@@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN1Cc1ccccc1 2365059697 VEMFUNLCKJZSRJ-INJZMFEXSA-N 447.432 5.581 30 10 IKEE CN(C)c1ccc(-c2nc3n(n2)[C@H](c2ccccc2Cl)C2=C(CC(C)(C)CC2=O)N3)cc1 9602020 AOSIQHVFWXGOAG-JOCHJYFZSA-N 447.970 5.323 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C)o2)cc1 21255530 UWPOMKGSMXSJRI-UZTOHYMASA-N 428.532 6.356 30 10 IKEE Cc1ccc(S(=O)(=O)N/N=C(\Cc2ccccc2)c2ccc(-c3ccccc3)cc2)cc1 33387732 FZSZHDGXRAIPAP-BYYHNAKLSA-N 440.568 5.587 30 10 IKEE C[C@@H]1Oc2ccccc2C=C1/C=C1/Oc2cc(OCc3ccccc3Cl)ccc2C1=O 33532091 QGGSZYAFSHPLCU-WJNWYLSZSA-N 430.887 6.243 30 10 IKEE CCCCc1ccc(N/N=C(/C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 33578365 UDKQZLSEPCPYIX-XHPQRKPJSA-N 439.382 6.255 30 10 IKEE O=C(/C=C\c1ccccc1)Oc1ccccc1/C=C/C(=O)c1ccc(-c2ccccc2)cc1 34954130 JBCIHAWZXBNLHL-IDNCPYMQSA-N 430.503 6.869 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1ccc(C(=O)/C=C/c2c(F)cccc2Cl)cc1 34954975 OONKOTVUEMTXHQ-BUHFOSPRSA-N 440.854 5.612 30 10 IKEE C=C(C)C(=O)NCCCc1nc2ccccc2n1CCCOc1ccc(C(C)(C)C)cc1 35145011 LIFJUYQHIXXYSO-UHFFFAOYSA-N 433.596 5.428 30 10 IKEE CC(/C=C1\S/C(=N/c2cccnc2Cl)N(c2ccccc2)C1=O)=C\c1ccccc1 39864069 BUQOWYFZFGSFKK-KYVDDYOGSA-N 431.948 6.490 30 10 IKEE Cc1c(C(=O)NC2CCCCC2)oc2c1/C(=N/Nc1cccc(C(F)(F)F)c1)CCC2 40824012 MZIJMQZYIMYYTA-RDRPBHBLSA-N 433.474 5.822 30 10 IKEE C=CCOc1ccc(/C=C/C(=O)CC(=O)/C=C/c2ccc(OCC=C)c(OC)c2)cc1OC 49053774 VPWZYCCYPVMNSW-MKICQXMISA-N 448.515 5.088 30 10 IKEE C=CCN1C(=O)c2ccccc2N[C@@H]1c1c(OCCc2ccccc2)ccc2ccccc12 66133128 ZUZLLVNENZZUPG-NDEPHWFRSA-N 434.539 6.214 30 10 IKEE C[C@H]1CCc2c(sc(NC(=O)COc3ccc(OCc4ccccc4)cc3)c2C#N)C1 96537710 BAFQNDUODXACEU-KRWDZBQOSA-N 432.545 5.341 30 10 IKEE CCCCCCCCCCn1c(CCNC(=O)c2ccc(C)cc2C)nc2ccccc21 102138826 LNVBGJRVRIIKSN-UHFFFAOYSA-N 433.640 6.766 30 10 IKEE C[C@H](NC(=O)C[C@H]1S/C(=N/c2ccccc2)N(c2ccccc2)C1=O)c1ccccc1 103715912 ZTAJNUUCTRKCMJ-BOXWKXTKSA-N 429.545 5.090 30 10 IKEE COc1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC(F)F 105673337 LVUNVUMCGGIYEW-UHFFFAOYSA-N 429.263 5.587 30 10 IKEE C=C(C)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]5(C)CC/C(=N\O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12 118941020 IBHLVHLIYYDTRV-NHZRGJIASA-N 439.728 8.494 30 10 IKEE COc1cc(/C=N\Nc2nc3cc(C)ccc3[nH]2)ccc1OCc1ccc(C(C)(C)C)cc1 169893325 MGMMVPFEAOTRNV-NTFVMDSBSA-N 442.563 6.202 30 10 IKEE CCOc1cc(/C=N\n2c(S)nnc2Cc2ccccc2)ccc1OCc1ccccc1 169911539 KNLHYTCDUMPTFU-ONUIUJJFSA-N 444.560 5.018 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@H]2c2cccs2)c1 169986565 FUWWNCNRPUMADC-NRFANRHFSA-N 437.948 6.110 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@@H]1c1ccc(F)cc1 170062267 XADAJMHWONXVTH-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2Cc2ccco2)cc1 170067102 IRYUQCFYWBMMEB-JOCHJYFZSA-N 446.459 5.090 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2ccccc2C)cc1 170089129 HCYJKUMZGNXCIM-VWLOTQADSA-N 441.527 5.793 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2ccco2)cc1 170093932 QGNRYPFAQGMRQE-IBGZPJMESA-N 427.378 5.390 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2C2CCCCC2)cc1 170114807 JQHXCQQVRUEBRA-XMMPIXPASA-N 449.547 5.393 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(O)cc2)ccc1OC(C)C 170135718 CFDSZGFSIHYXOU-XMMPIXPASA-N 449.547 5.399 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1ccc(O)cc1 170137525 WZIVLHNCBAOABZ-HSZRJFAPSA-N 437.536 5.256 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1cccc(C)c1 170142911 AFRHGDLUVZTKSY-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCN(CC)c1ccc(N2CC(=O)C(c3nc(-c4ccc(Cl)cc4)cs3)=C2N)cc1 170179740 KGYKKJILTQCJRR-UHFFFAOYSA-N 438.984 5.026 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2cccnc2)c1 170187481 MITYPHPSNRJJFI-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1ccccc1)c1ccc2c(c1)CCCO2 170229275 QSCDDKYQVPXMHZ-HSZRJFAPSA-N 447.437 5.073 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@H]1c1ccc(F)cc1 170243156 IPYVSWZAUOTICO-JOCHJYFZSA-N 425.500 5.239 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCCC)[C@H]2c2ccccc2C)cc1 170277434 MHTLRMYCZBQPFP-VWLOTQADSA-N 449.591 6.333 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccco2)cc1C 170285740 HPYRBBYYRLTGPY-DEOSSOPVSA-N 445.515 5.777 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccco2)cc1 170291290 YOHDWAYUXOQYRO-XMMPIXPASA-N 439.467 5.220 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)cc(Cl)c2OC)[C@@H]1c1ccc(C)o1 170309258 VHOWNXHYXZALSX-KRWDZBQOSA-N 438.307 5.282 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2cc3cc(Cl)ccc3o2)=C(O)C(=O)N1c1ccccc1 170315022 IWSRDXCWUMMZIF-FQEVSTJZSA-N 449.915 6.239 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2c(C)[nH]c3ccccc23)cc1C 170404340 RWHHXCVPHUCPCQ-QHCPKHFHSA-N 426.472 5.469 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1ccc(OC(C)C)cc1 170474225 LGYCIPXXKOAKFD-DEOSSOPVSA-N 439.527 5.166 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(N(C)C)cc2)[C@H]1c1cccc(OC(C)C)c1 170474929 IRCHJBBGKZNDLX-DEOSSOPVSA-N 436.552 5.055 30 10 IKEE COc1ccc(/C=C2\SC(=Nc3ccccc3OC)N(c3ccccc3OC)C2=O)cc1 254442322 XOMWYVHPOKFGDA-ZYITZIQLSA-N 446.528 5.521 30 10 IKEE CCOc1ccc(C=Nc2ccccc2-c2ccccc2N=Cc2ccc(OCC)cc2)cc1 254699812 LXLMGRXYJQOHBY-UHFFFAOYSA-N 448.566 7.652 30 10 IKEE COc1ccc(C(C)=NNc2ncc(-c3cc4c(ccc5ccccc54)oc3=O)s2)cc1 254847288 XYEJOTJEMKZVMJ-UHFFFAOYSA-N 441.512 5.914 30 10 IKEE COc1cc(C=NNC(=S)Nc2ccc(C)cc2)ccc1OCCOc1ccc(C)cc1 254872804 VGSZJSPEELZQRB-UHFFFAOYSA-N 449.576 5.090 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccsc1Br)NCCC 406225584 HLGICVFJUCXKFT-CVEARBPZSA-N 431.440 5.281 30 10 IKEE Cc1cc(C)cc(CSc2nnc(C)n2/N=C\c2ccc(OCc3ccccc3)cc2)c1 526810135 ZDKXZZKAHJAVJK-YUMHPJSZSA-N 442.588 5.957 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@H](C#N)c1ccc(Br)c(F)c1 698852921 SWMAIPRADKWXMW-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@](C)(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 698883585 CUFUUHKTVNQPSW-FDDCHVKYSA-N 449.617 5.557 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2cc(Br)c(C)s2)c1 710719788 PHYNRZPSOJEOLV-INIZCTEOSA-N 437.359 5.834 30 10 IKEE Cc1ccccc1-c1nn(-c2ccccc2)cc1/C=C1/S/C(=N/C2CCCCC2)NC1=O 828296203 YVBJMFAOWMXOJX-XQNSMLJCSA-N 442.588 5.740 30 10 IKEE COc1cc(C=NN=C(C(=O)c2ccccc2)c2ccccc2)ccc1OCc1ccccc1 886005286 SZXSHNPTJPJYAG-UHFFFAOYSA-N 448.522 5.980 30 10 IKEE Cn1cccc1/C=C1\SC(=Nc2nc(-c3ccccc3)cs2)N(c2ccccc2)C1=O 1772733518 BYPDZRNUKUPTLN-POLMPROESA-N 442.569 5.957 30 10 IKEE CC(C)(C)c1ccc(NC(=O)c2nc(C(=O)Nc3cccc(C#N)c3)c3ccccn23)cc1 1858241859 ILSBOCSPLHLYQT-UHFFFAOYSA-N 437.503 5.008 30 10 IKEE Cc1nc(SCC(=O)Nc2cccc(C#N)c2)nc(O)c1-c1ccc(C(C)(C)C)cc1 1858517127 MXHRXTRMRSVOOM-UHFFFAOYSA-N 432.549 5.058 30 10 IKEE CCCCCCCCCN1CCN(S(=O)(=O)c2ccc(CCCCCC)cc2)CC1 1858636347 BVBIFDZBVIMMCQ-UHFFFAOYSA-N 436.706 5.866 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc3c(OC(=O)Nc4ccc(F)cn4)cccc23)c1 1858779957 HSAUHWXKPQMGNB-UHFFFAOYSA-N 426.407 5.109 30 10 IKEE CCCCCCCCCNC(=O)Cc1csc(-c2ccc(OC(F)(F)F)cc2)n1 1860210623 IVOCSJDUZWDLJU-UHFFFAOYSA-N 428.520 6.118 30 10 IKEE C=C(C)Cn1nc(C)c(CCC(=O)N2CCC[C@H]2c2nc3ccccc3n2C(C)C)c1C 1860322247 GACUDMUXWRNGFT-DEOSSOPVSA-N 433.600 5.303 30 10 IKEE CCOc1ccc(/C=C/C(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1OCC 1860729038 SWZMKARFKCFMEQ-WEVVVXLNSA-N 441.833 5.377 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)/C=C/c1ccccc1Cl 1861560930 BHLDECPSFKCZCT-IKPXGLPCSA-N 441.015 5.557 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc(C(C)(C)C)cc1 1861564428 HSSWTYFYFAMJKE-BZCZDHRTSA-N 440.672 6.245 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccccc1Cl 1862402708 FVFCPESEAUGTQS-JOCHJYFZSA-N 441.955 5.816 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1cccc(F)c1 1862414296 WTIYWTQPYBORRY-FPTDNZKUSA-N 437.417 5.443 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2ccccc2Cl)cc1 1862594575 GODQQSAQXQUWAP-QHCPKHFHSA-N 447.918 5.175 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(F)cc1F 1862596082 RLRWWMYJGNYSTP-VGSWGCGISA-N 443.490 5.608 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 1862667681 IDGMPNZJOKNKQC-ZUOKHONESA-N 448.346 5.076 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2ccc(F)cc2)cc1 1862687148 GVYCZTATHXXRGW-DEOSSOPVSA-N 445.490 5.230 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2C2CCCC2)cc1 1862721830 JUHFEUBBAAKJRG-AREMUKBSSA-N 437.539 6.183 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(Cl)cc1Cl 1862722154 WNLZRVTYXKUBKJ-OAQYLSRUSA-N 440.326 6.133 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862737764 LJWVTZCWYBWBBL-BTYIYWSLSA-N 436.508 5.269 30 10 IKEE COc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc4ccccc4c3)C2=O)cc1 1862956505 IYAPVWMHMROXIT-UHFFFAOYSA-N 445.478 5.117 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3cccc(Cl)c3C)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1863030913 RFJAFONOIJLSFK-UHFFFAOYSA-N 441.918 5.534 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccc4ccccc4c3)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1863031115 XDVRJKBDWBMUIE-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H](C)c2ccccc2)=C(c2ccc(Cl)cc2)C1=O 1863535808 VKEUYAWQHKMCKY-LJQANCHMSA-N 438.999 6.131 30 10 IKEE C=CCN1C(=O)C(NCCC2=CCCCC2)=C(c2ccc(OCc3ccccc3)cc2)C1=O 1863707071 YODMGCSLEMYCGW-UHFFFAOYSA-N 442.559 5.012 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCOCCCC)=C(c2cccs2)C1=O 1863808351 MCENBARREQNKIH-UHFFFAOYSA-N 448.673 5.765 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1cccc(Br)c1 1866030032 UYPXRUHMGXGDJH-UHFFFAOYSA-N 438.494 8.649 30 10 IKEE CC(C)(C)c1nc(Nc2cccc(C#N)c2)cc(N2CCC[C@H]2c2nc3c([nH]2)CCCC3)n1 1868333431 JNJUFCJFIXGPPG-NRFANRHFSA-N 441.583 5.333 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3cc4ccc(C)cc4nc32)nc(-c2ccccc2C)n1 1869137359 WGNAMPWEXHWWQH-UHFFFAOYSA-N 447.586 6.181 30 10 IKEE C=CCN(CC=C)c1cc(N2C[C@@H](CC)Cc3cc(OC)ccc32)nc(-c2cccnc2)n1 1869366794 PJROKNXRAMFRFE-FQEVSTJZSA-N 441.579 5.446 30 10 IKEE CCCCCOc1cn(CC(C)C)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870187743 CWRXCVDENJZEDP-UHFFFAOYSA-N 427.614 5.558 30 10 IKEE C=CCOc1cn(C[C@@H](O)c2ccc(Cl)cc2)c(CSc2ccc(C)cc2)cc1=O 1870245734 BXEXATSVHDCDJA-HSZRJFAPSA-N 441.980 5.401 30 10 IKEE CCCCCCCOc1cn(CCc2c[nH]c3ccccc23)c(CN2CCCC2)cc1=O 1870410746 DJQDNTKCWMSHIH-UHFFFAOYSA-N 435.612 5.517 30 10 IKEE C=CCn1cc(OCc2ccccc2C)c(=O)cc1CNc1cccc(C(F)(F)F)c1 1871079721 WNZUNPOYWYMHHN-UHFFFAOYSA-N 428.454 5.553 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(Cl)cc1Cl)C3=O)CN(CCCCCO)CO2 1871353238 JLSRIOUBNRKWOD-JMIUGGIZSA-N 448.346 5.233 30 10 IKEE Cc1cc(OC(=O)/C=C/c2ccco2)cc2c1C(=O)/C(=C/c1ccc(Cl)cc1Cl)O2 1871369280 CYEICYCFYSUBHA-FJWKLVFKSA-N 441.266 6.130 30 10 IKEE Cc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1C 1871372131 BAKIKYAIUWLCQV-UUYOSTAYSA-N 429.428 5.355 30 10 IKEE Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccncc2)C3=O)c(C)c1 1871402659 LITJPICGTCMUNB-CSMVZQPBSA-N 442.515 5.337 30 10 IKEE O=C1/C(=C/c2ccc(F)cc2)Oc2cc(OCCOc3cccc4ccccc34)ccc21 1871415750 RDVXFKYBRBGUOJ-QQXSKIMKSA-N 426.443 6.053 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(CC)cc4)cc(C)c3C2=O)cc1 1871454648 VYZXHSCGNVUAKC-MYYYXRDXSA-N 441.527 5.754 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(CCCC)cc1)c1ccccc1)S(=O)(=O)CCC 1871832725 COUFHOOELJJESP-XMMPIXPASA-N 442.625 5.327 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)C(c3ccccc3)c3ccccc3)n2)cc1C 1872765100 HDVYRDMXVXTCQQ-QFIPXVFZSA-N 438.552 6.136 30 10 IKEE N#C[C@H](C(=O)CCCOc1ccc(Cl)cc1)c1nc(-c2ccc(F)cc2F)cs1 1872766306 FJFKCQAXXRISLM-QGZVFWFLSA-N 432.879 5.777 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)c(Cl)c3)n2)c(OC)c1 1872784915 ZYDSYOFWCUSQRV-CQSZACIVSA-N 433.316 5.624 30 10 IKEE C=CCc1ccccc1OCc1cccc(C(=O)N(CC(=O)OCC)Cc2ccccc2)c1 1872846743 PZNOAZISGIXIFI-UHFFFAOYSA-N 443.543 5.200 30 10 IKEE C=CCN1C(=O)C(Nc2cccc(C(F)(F)F)c2)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873276392 FGEZMKVDEVCGST-UHFFFAOYSA-N 448.444 5.750 30 10 IKEE CCCSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccc(OCC)cc1 1874267932 XECDPUJHWAXVRD-OEAKJJBVSA-N 430.961 5.294 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1ccc(OCCC)cc1 1874330394 RAGRRQHNXLPATR-WPWMEQJKSA-N 448.636 6.019 30 10 IKEE Fc1cccc(CSc2nnc(COCc3ccccc3)n2/N=C/c2ccccc2)c1 1874353981 LLUKGOMTEAZVDC-CVKSISIWSA-N 432.524 5.309 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccncc1 1874375529 ATNXONFLMZVDCO-VULFUBBASA-N 437.931 5.231 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2F)n1/N=C/c1cccc(O)c1 1874395880 XSWLMHFXOCRJDE-AEIQVQRHSA-N 432.524 5.449 30 10 IKEE C=CCSc1nnc(Cc2cccs2)n1/N=C/c1ccc(OCCCC)c(OC)c1 1874413339 OLFJLTSMOUQGBO-XQNSMLJCSA-N 442.610 5.278 30 10 IKEE COc1ccc(OC)c(/C=N/n2c(SCc3cc(C)ccc3C)nnc2-c2ccco2)c1 1874467093 RFSSOMMULAVMDW-AFUMVMLFSA-N 448.548 5.347 30 10 IKEE Fc1cccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2-c2ccco2)c1 1874468165 VKLJIOVXVYHMNR-CVKSISIWSA-N 428.492 6.005 30 10 IKEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2C(C)(C)C)cc1 1874481058 LNSVGLKPZCMFHQ-CVKSISIWSA-N 449.624 5.368 30 10 IKEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3c(C)cccc3C)nnc2C(C)(C)C)c1 1874481642 HFBXCDKNGGVGDX-AFUMVMLFSA-N 435.597 5.114 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2c(F)cccc2Cl)nnc1C(C)C 1874515119 QSAFKHABZULYSB-DHRITJCHSA-N 444.963 5.933 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CC2)cc1 1874520094 ASFDBDPNPBBCQS-ZVHZXABRSA-N 426.973 5.772 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc(OC)c(O)c1 1874527924 KSVYCCDMAIYBTJ-LSHDLFTRSA-N 437.352 5.036 30 10 IKEE CCOc1ccc(/C=N/n2c(S)nnc2CC23CC4CC(CC(C4)C2)C3)cc1OCC 1874567330 QWWDFLFTQVWNMU-MFKUBSTISA-N 440.613 5.005 30 10 IKEE Cc1ccc(NC(=O)COc2ccccc2/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 1874570409 YAOFNVIQKRPUJC-ACCUITESSA-N 430.460 5.125 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccccc2OCc2ccc(C(=O)OCC)o2)cc1 1874573433 NXUZIVZRXDEYSZ-BMRADRMJSA-N 432.516 6.274 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)N[C@H](C)c2ccccc2)cc1C 1874573799 FSWKWBOJMBHGRK-UPTIQUDWSA-N 429.516 5.156 30 10 IKEE Cc1ccc(NC(=O)COc2ccccc2/C=C/C(=O)c2cccc3ccccc23)cc1C 1874582601 WLDVGGMSXFHVMU-BMRADRMJSA-N 435.523 6.370 30 10 IKEE O=C(/C=C/c1c(OCc2ccccc2F)ccc2ccccc12)c1cccc2ccccc12 1874583327 IJQBUJIFGUUQCA-ISLYRVAYSA-N 432.494 7.607 30 10 IKEE O=C(COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(F)cc1)Nc1ccccc1 1874584120 XNMQEDLUPAHAMR-FOCLMDBBSA-N 425.459 5.893 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cccc(OC)c1OCc1ccccc1F 1874589187 YCLPXEZGLUZKBE-VAWYXSNFSA-N 440.898 6.280 30 10 IKEE O=C(COc1cccc(/C=C/C(=O)c2ccc(Br)cc2)c1)NC1CCCCC1 1874593487 MFMIPJWCJQFIHV-NTEUORMPSA-N 442.353 5.173 30 10 IKEE O=C(/C=C/c1ccc(OCCc2ccccc2)c([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 1874601514 OWVWBPTUCPWGMC-GZTJUZNOSA-N 449.506 6.779 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Cl)c1OCCc1ccccc1 1874608880 MEQQVRLJOSFYAQ-VAWYXSNFSA-N 427.327 6.520 30 10 IKEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(OC)cc3)cc2Cl)o1 1874609350 LZOFMNVOHGRYTB-XCVCLJGOSA-N 426.852 5.203 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2Cl)c1 1874618060 IEARWSPGAVWGAI-PKNBQFBNSA-N 433.935 6.179 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OCc3ccccc3F)c(Cl)c2)c1 1874619333 VMPDMUWWJYNVOY-JXMROGBWSA-N 426.871 5.971 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc(OC)c1OCCCO 1874626038 IXFZTFDJUCERAC-ZRDIBKRKSA-N 438.564 5.387 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)ccc1OCc1cc(C)ccc1C 1874637455 AICSHGRQNHPODH-ZRDIBKRKSA-N 444.571 6.803 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)CCCSC)c2)cc1 1874695772 QXIGWBJHDXIASU-RVDMUPIBSA-N 426.578 5.983 30 10 IKEE COc1cc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(C)cc3)c2)c([N+](=O)[O-])cc1OC 1874702141 SUZBZKIVDNTOLU-FMIVXFBMSA-N 447.443 5.036 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1OC(=O)c1ccccc1F 1874702399 ONWCDXXBPVKOSM-UXBLZVDNSA-N 445.273 6.256 30 10 IKEE COc1cccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)c2)c1 1874710852 LCAWARHMIPLOPK-WYMLVPIESA-N 442.555 6.363 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC(=O)CCOc2ccccc2)c1 1874715908 RVQANSWZYBDIRJ-JQIJEIRASA-N 442.555 6.563 30 10 IKEE C=CCN(CC=C)CCC(=O)c1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 1874752536 GPKHGDIMCXFXTK-UHFFFAOYSA-N 440.971 5.221 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1OCC 1875095966 QAAAZVKOANDFII-GHRIWEEISA-N 430.544 7.010 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3)c(Br)c2)cc1 1875101219 SKBIWYHQGNJRMW-GXDHUFHOSA-N 449.344 6.056 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc(F)c2)c(Br)c1)c1ccccc1 1875127956 HDEUBCIPAGVLFD-PKNBQFBNSA-N 425.253 5.704 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)c1ccc(F)cc1 1875140951 GRTYAULCSRCGQJ-NYYWCZLTSA-N 438.426 5.406 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3)c(Cl)c2)cc1F 1875152789 JNZZMIOESKNJLR-XNWCZRBMSA-N 428.818 5.742 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)C(F)(F)F)c(Br)c2)cc1 1875155520 HKRFLKSALYFVAN-YCRREMRBSA-N 441.243 5.936 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1Br 1875174871 NBDZVKFDSKVYBZ-JLHYYAGUSA-N 443.381 6.838 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc1OCC 1875180498 UXCCKHJYENQLSU-PKNBQFBNSA-N 430.928 6.047 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)cc3)c(Cl)c2)cc1C 1875186688 IDUUECMEGNZHEK-PKNBQFBNSA-N 448.946 6.318 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1Cl)c1cccnc1 1875189417 PEUJDTZLKCDRGN-XVNBXDOJSA-N 432.690 6.157 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3)c(OC)c2)cc1C 1875190576 WCUYLUVXBUWCGV-ZRDIBKRKSA-N 430.500 5.365 30 10 IKEE CN(CCC[C@](C)(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1953163514 NNYXUNXLDJSOLD-XMMPIXPASA-N 431.577 5.353 30 10 IKEE CC(=O)N(c1nc(C=CC(=O)c2ccc(Cl)cc2Cl)cs1)c1c(C)cccc1C 2042448520 SRDPRZRZEGAVGA-UHFFFAOYSA-N 445.371 6.647 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@H](C#N)[C@@]1(C)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2078865046 KGNTXTCBNKTUHJ-KBMIEXCESA-N 449.636 5.874 30 10 IKEE CC[C@@H](c1ccc(C2CC2)cc1)n1nc(C(C)(C)C)c(C#N)c1I 2079061539 YESJJXHMDCSWIT-KRWDZBQOSA-N 433.337 5.534 30 10 IKEE Cc1cc(O)c([C@H](n2nc(C(F)F)c(C=NO)c2Br)C(C)(C)C)cc1C 2080053722 KUSXSYWOZPGCLP-HNNXBMFYSA-N 430.293 5.349 30 10 IKEE N#Cc1c(Br)cccc1NCc1cc(Br)ccc1Br 2088102866 RUZFMRIZGPNDDK-UHFFFAOYSA-N 444.952 5.458 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@H](C#N)c1ccc(Br)c(Cl)c1F 2098124802 YNZDFUJCSXKHSY-GFCCVEGCSA-N 446.708 5.744 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Br)c(Cl)c1F 2102880981 VUVHIAMMZLAVEM-YOEHRIQHSA-N 447.776 5.199 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCC)c2cccc(Br)c2F)C1 2126625859 JMEGLWGARUVFHU-QGZVFWFLSA-N 427.358 5.100 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1ccc2c(c1)OCC2 2149632297 KDPNGIFRBLJREA-GOSISDBHSA-N 429.314 5.390 30 10 IKEE CC1(C)CC[C@H](Nc2cc(Br)cc(C#N)c2)[C@@H](CNC(=O)OC(C)(C)C)C1 2162313223 QVQSSYMLRWNVBK-QAPCUYQASA-N 436.394 5.452 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@]2(CNc3ccc(C#N)cc3Br)CCC[C@@H]12 2165307814 TVPZMMCVTQXKCE-WIYYLYMNSA-N 434.378 5.302 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCCC)c2cc(Br)ccc2C)C1 2202489468 KTFWDEWJZZKCEU-LJQANCHMSA-N 437.422 5.659 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C1 2214839062 TVNJKVJYMGGYEA-XFAGBWLFSA-N 435.609 5.484 30 10 IKEE C=CCN(CC[C@H](NCC)c1sc(C)c(Br)c1C)C(=O)OC(C)(C)C 2219013940 YQUHIDAFLFCDCN-HNNXBMFYSA-N 431.440 5.591 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCC2(CC2)N(C(=O)OC(C)(C)C)C1 2220216258 SFMFWAGDGCJMJR-VWLOTQADSA-N 441.572 5.562 30 10 IKEE CC(C)(C)OC(=O)NC1(CCC(=O)C#Cc2ccccc2Br)CCCCC1 2235722115 RQZJOZVUMBLOAC-UHFFFAOYSA-N 434.374 5.378 30 10 IKEE Cc1cc(Br)c(Nc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)cc1Cl 2283018263 CLSCPMMJSPSPDM-UHFFFAOYSA-N 437.574 5.036 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2c(Br)cccc2C#N)C[C@@H]2CCCC[C@H]21 2285168968 FMXSRTPBSHJZFK-QILLFSRXSA-N 434.378 5.301 30 10 IKEE C=CCc1cc(C=C2SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)cc(OCC)c1O 2313562208 JFWHWQXXUDOFJS-UHFFFAOYSA-N 449.359 5.718 30 10 IKEE O=C1C(=Cc2ccc(Cl)c(Cl)c2)Oc2cc(OCc3ccccc3Cl)ccc21 2314437476 NJVLYJSTKDIUPV-UHFFFAOYSA-N 431.702 6.842 30 10 IKEE CCOC(=O)[C@@H](Oc1ccc2c(c1)OC(=Cc1ccccc1Cl)C2=O)c1ccccc1 2314438153 JFBKERSBCKVFSY-DEOSSOPVSA-N 434.875 5.639 30 10 IKEE O=C(C=Cc1ccc(-c2c(Cl)cccc2Cl)o1)c1ccc(-c2ccccc2Cl)o1 2314482673 RKBGJQUIRCXJQS-UHFFFAOYSA-N 443.713 8.063 30 10 IKEE O=C(C=Cc1c[nH]nc1-c1cccc([N+](=O)[O-])c1)c1cccc(NC(=O)c2cccs2)c1 2314523322 QOIWPQYWXZLPKG-UHFFFAOYSA-N 444.472 5.195 30 10 IKEE CC(C)(C)c1ccc(C=C2SC(=NN=Cc3cccnc3)N(Cc3ccco3)C2=O)cc1 2314818355 DCKIBDZCKKJLPD-UHFFFAOYSA-N 444.560 5.479 30 10 IKEE CCCOc1ccc(C=Nn2c(C)nnc2SCc2ccccc2Cl)cc1Cl 2318571156 DHSHCQTXRSVCEX-UHFFFAOYSA-N 435.380 5.857 30 10 IKEE Fc1cccc(Cl)c1COc1ccc(C=Nn2c(S)nnc2-c2ccco2)cc1 2321911905 VFVZJYBRRRBORO-UHFFFAOYSA-N 428.876 5.081 30 10 IKEE CCn1cc(C=C2Oc3c(ccc4c3CN(Cc3cccnc3)CO4)C2=O)c2ccccc21 2321973070 LKLQUXDKIHNETF-UHFFFAOYSA-N 437.499 5.025 30 10 IKEE C[C@@H](NC(=O)COc1ccccc1C=CC(=O)c1ccc2ccccc2c1)c1ccccc1 2322312473 CUOGGYUIXDUWMK-OAQYLSRUSA-N 435.523 5.992 30 10 IKEE CCCCCCCOc1cccc(NC(=O)C=Cc2ccc(OCc3ccccc3)cc2)c1 2322487717 ABECIFAGKSGNIU-UHFFFAOYSA-N 443.587 7.267 30 10 IKEE CCCN(CCC)C(=O)COc1c(C=CC(=O)c2ccc(Cl)cc2)cccc1OC 2322542280 QEEMDDSQWDCHSS-UHFFFAOYSA-N 429.944 5.272 30 10 IKEE O=C(C=Cc1ccccc1OCc1c(F)cccc1Cl)c1ccc(Cl)c(Cl)c1 2322580341 LGXGWVVTLQYGPW-UHFFFAOYSA-N 435.709 7.261 30 10 IKEE O=C(C=Cc1c(OCc2cccc(F)c2)ccc2ccccc12)c1ccc2c(c1)OCCO2 2322668080 JCJBIIPYGNUMEW-UHFFFAOYSA-N 440.470 6.225 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc(OC(=O)c3ccccc3OC)c2C)C1=O 2322698433 TWJLYVDJQPYWRQ-UHFFFAOYSA-N 430.456 5.238 30 10 IKEE C=CCOc1c(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(Br)cc1OC 2322843449 RSYLBYJSZSDCOU-UHFFFAOYSA-N 429.354 6.152 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1OCC(=O)N[C@@H](C)c1ccccc1 2323126298 SNUNKCKPFJJKPI-SFHVURJKSA-N 449.934 5.501 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Cl)c1OCc1ccc(F)cc1 2323725322 DRFPXWKPIKMJPX-UHFFFAOYSA-N 446.852 6.631 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1C 2323802838 SZOXRLYRAALSAV-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)C=Cc1ccc(OCC)cc1 2323840322 NDOONGCWQTUAAF-XMMPIXPASA-N 428.617 5.346 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OCC(=O)Nc1ccc(C)cc1 2323985622 LOMKHNSBYMBQDP-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1OCc1ccccc1C 2324194302 RHCAPYGOKHCKHU-UHFFFAOYSA-N 435.451 5.916 30 10 IKEE Cc1c(OCCCOc2ccccc2)ccc2c1OC(=Cc1ccc(N(C)C)cc1)C2=O 2324241126 DAJLLWRHXJNKGA-UHFFFAOYSA-N 429.516 5.525 30 10 IKEE CCCCCCOc1cc(C)c2c(c1)OC(=Cc1cc(OC)c(OC)c(OC)c1)C2=O 2324261649 XYBZOGNIMFYVRJ-UHFFFAOYSA-N 426.509 5.596 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccccc2F)C3=O)cc1 2324379449 ZHAPMBZSFNSOGV-QGZVFWFLSA-N 431.463 5.465 30 10 IKEE C=C(C)COc1c(OC)cc(C=CC(=O)c2cc(OC)c(Cl)cc2OC)cc1OC 2324405989 BZHGTKOAFOJBMJ-UHFFFAOYSA-N 432.900 5.225 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)Nc2cccc(Cl)c2C)cc2c1C(=O)C(=Cc1ccccc1)O2 2324431274 QLCFMKYWHBWASO-KRWDZBQOSA-N 447.918 5.979 30 10 IKEE CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1 2324521351 MAMRSOMCWHHZGP-MRXNPFEDSA-N 447.462 5.247 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)ccc1OCc1cccc(C)c1 2324588711 KQUKXMBOAOJNQS-UHFFFAOYSA-N 428.572 7.085 30 10 IKEE N#C[C@@H](C(=O)C(=Cc1ccccc1)c1ccccc1)c1nc(-c2c[nH]c3ccccc23)cs1 2324672577 AGDMWMDRPFCNJF-QHCPKHFHSA-N 445.547 6.708 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc4c(c3)OCCO4)n2)c(C)c1C 2324706279 KBWHGUGPHYMURQ-IBGZPJMESA-N 446.528 5.096 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3cc(OCc4ccccc4C#N)ccc3C1=O)cn2C 2325352908 WHZUJWPXEWCTFO-UHFFFAOYSA-N 436.467 5.254 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccc(Cl)cc3F)ccc2C1=O 2325490304 ZNBNMPBZAYMUIS-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE Fc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccc(Cl)cc2)cc1 2325493247 XZNOROQFTKPPCM-UHFFFAOYSA-N 436.943 5.836 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1cc(Br)ccc1O 2325541214 ZCIFHQHZROVVRI-UHFFFAOYSA-N 445.386 5.182 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1cccc(Br)c1 2325544311 NCXUJXIDWFKUSA-UHFFFAOYSA-N 433.350 5.307 30 10 IKEE O=C(COCc1ccccc1)Oc1cccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)c1 2325669652 ZGHLQEJLSRSLBI-UHFFFAOYSA-N 448.518 6.372 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(F)c(F)c2F)c1)c1ccc2c(c1)CCCC2 2325701972 QWIHMXNJPWMYEP-UHFFFAOYSA-N 436.429 6.098 30 10 IKEE O=C(C=Cc1cccc(OC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)c1)c1cccc(Cl)c1 2325728786 BKVWQHFSUOZFJA-FGZHOGPDSA-N 437.322 6.599 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccccc4OC)c3C)C2=O)cc1 2325736333 CSCPVJQFRVCXGT-UHFFFAOYSA-N 443.499 5.200 30 10 IKEE COc1ccc(C=C2Oc3cc(OCc4cc(=O)oc5ccc(C)cc45)ccc3C2=O)cc1 2325741300 WNNLMLAFLYMVTE-UHFFFAOYSA-N 440.451 5.305 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1cccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)c1 2325756761 IIPGOZYBFHTWEX-UHFFFAOYSA-N 448.946 6.698 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)C34CC5CC(CC(C5)C3)C4)c2)c(OC)c1 2325761711 DJEDIMDQWWATQK-UHFFFAOYSA-N 446.543 5.722 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OC(=O)Cc1ccccc1F 2325764160 QQMRDZPYDJUMDH-UHFFFAOYSA-N 432.491 5.804 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2c(C)cc(C)cc2C)cc1OC(=O)C(C)C 2325764576 WRCWWZOCEBOKBW-UHFFFAOYSA-N 445.353 5.840 30 10 IKEE Cc1nnc(SCc2ccccc2F)n1N=Cc1ccccc1COc1ccccc1 2326263308 CDRJAMXUCRTKNI-UHFFFAOYSA-N 432.524 5.479 30 10 IKEE C=CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccc(Cl)cc1 2326926995 KGDUQZFERXQBPR-UHFFFAOYSA-N 427.017 5.851 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1c[nH]c2ccccc12 2327552075 ORHGCLQBTPCLMV-UHFFFAOYSA-N 437.956 5.542 30 10 IKEE CCSc1nnc(COc2ccccc2OC)n1N=Cc1ccc(Cl)cc1Cl 2328261762 YZZWOTWDDIBXIH-UHFFFAOYSA-N 437.352 5.167 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccc(C)c(C)c3)n2N=Cc2ccc[nH]2)c1 2328947857 IZWHMZGNBRJSRL-UHFFFAOYSA-N 443.620 5.800 30 10 IKEE Cc1cccc(C=Nn2c(Cc3ccc(C)c(C)c3)nnc2SCc2ccccc2C)c1 2329395334 KYVPGBJWBJTVAP-UHFFFAOYSA-N 440.616 6.277 30 10 IKEE CCCSc1nnc(CCc2cccs2)n1N=Cc1c(Cl)cccc1Cl 2329674396 IQRYCGZURKCIJJ-UHFFFAOYSA-N 425.410 5.816 30 10 IKEE CCCSc1nnc(Cc2ccc(F)cc2)n1N=Cc1c(OC)ccc2ccccc12 2329854625 HXOOWIONRZTOEH-UHFFFAOYSA-N 434.540 5.554 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc4ccccc34)n2N=Cc2ccncc2)cc1 2330019761 UNSQPJRXWHYVSG-UHFFFAOYSA-N 449.583 5.900 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccccc3)nnc2[C@@H](C)c2ccccc2)cc1 2330103727 YPKFOFZHUXLWLB-IBGZPJMESA-N 428.561 5.613 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccccc1O 2330135666 PSIMHJWXLPLWGH-QGZVFWFLSA-N 448.979 5.963 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccccc3C)nnc2-c2ccccc2)c1O 2330636101 HUKOFGKAQSYGJO-UHFFFAOYSA-N 430.533 5.142 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2Cl)cc1)c1cccc(Br)c1 2330993900 BQINUXYUVHAJCL-UHFFFAOYSA-N 441.708 6.218 30 10 IKEE CCC(=O)Oc1ccc(C=CC(=O)c2cccc(Br)c2)cc1Br 2331004088 IZKIMQKWXRGBCX-UHFFFAOYSA-N 438.115 5.423 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2ccccc2C)c1 2331044431 HPTAOHPPTVOOSA-UHFFFAOYSA-N 447.608 5.474 30 10 IKEE Cc1cccc(CSc2nnc(C(F)(F)F)n2N=Cc2ccc(C(C)(C)C)cc2)c1 2331122633 NAPUTBYBDDFYJF-UHFFFAOYSA-N 432.515 6.077 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)c1ccc(OCC(C)C)cc1 2331179350 SAUTXIVOHVLXAU-UHFFFAOYSA-N 444.527 6.235 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccccc3)nnc2-c2ccco2)cc1OC 2331205390 NLIGZRNZZOZVLW-UHFFFAOYSA-N 434.521 5.120 30 10 IKEE CCCCOc1ccc(C=Nn2c(CCOC)nnc2SCc2ccccc2C)cc1 2331245567 XYDVCTKWBBKVRA-UHFFFAOYSA-N 438.597 5.129 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(Cl)c3)c(Cl)c2)cc1F 2331455895 WGTUWDHQYAWJBT-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccccc3F)nnc2C2CCC2)cc1OC 2331520923 QOACBLKOLMHVDE-UHFFFAOYSA-N 440.544 5.267 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)Cc1ccccc1[N+](=O)[O-] 2331534480 NOHLHYZFMXOBAF-UHFFFAOYSA-N 449.434 5.177 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OC(=O)c3cccs3)c([N+](=O)[O-])c2)c1C 2331649046 RKIJXIGHDKTZRG-UHFFFAOYSA-N 435.501 6.005 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3)cc2)cc1Cl 2331696070 LWNNDIMEVCEALM-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2Cl)cc1 2331706181 GPCRZLLEZWXMKW-UHFFFAOYSA-N 446.974 6.954 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)c1cccc(C)c1 2331708008 LQNCTJNWOZBDNF-UHFFFAOYSA-N 448.946 6.779 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)c(C)c3)cc2)cc1C 2331835281 DIPIQLPRAZBCGH-UHFFFAOYSA-N 428.528 5.973 30 10 IKEE CCCCCCCCCCCCCC=C[C@@H](O)[C@@H](CO)NC(=O)NCCCCCC 2333253055 MIADELGCYXNHNP-DNQXCXABSA-N 426.686 5.845 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(Nc2ccc(NC(=O)OC(C)(C)C)cc2C)n1 2337026838 WTPMCGNEVRDESD-UHFFFAOYSA-N 439.365 5.088 30 10 IKEE CCC(CC)(COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339601140 WYJUFFIOSXTZHD-UHFFFAOYSA-N 446.397 5.189 30 10 IKEE Cc1cc(COc2cccc(OCc3ccccc3)c2)cc(B2OC(C)(C)C(C)(C)O2)c1 2343662065 MTXDXSFTDFOKER-UHFFFAOYSA-N 430.353 5.452 30 10 IKEE C=C(C)CCCC[C@@H](NCC)[C@@H](O)c1sc(Cl)cc1I 2366660022 KYRSFQLFIRPUMJ-TZMCWYRMSA-N 427.779 5.154 30 10 IKEE COc1ccc([C@@H]2C(C(=O)Nc3ccccc3F)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 10013760 WYWCKUXRFSLLDC-HSZRJFAPSA-N 434.511 5.077 30 10 IKEE C=CCN1C(=O)COc2ccc(-c3csc(NC(=O)c4ccc(C(C)(C)C)cc4)n3)cc21 11967773 YVUQVXKYNSZDNE-UHFFFAOYSA-N 447.560 5.271 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(C(C)(C)C)cc2)cc1OC 21225438 VRCBTBWLALUGJE-FPOVZHCZSA-N 447.575 5.396 30 10 IKEE COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(OC)c(O)c2)c1 21226371 SKQXGXBLKZHGEP-DNOBIOAJSA-N 442.515 5.389 30 10 IKEE Cc1ccc2c(c1)C(=O)/C(=C/c1cn(-c3ccccc3)nc1-c1ccc3c(c1)OCCO3)O2 39842428 RKYKLAQXFBKJBB-MYYYXRDXSA-N 436.467 5.235 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1cccc(OCC)c1 40098365 YPNALQPXFWPACN-QFIPXVFZSA-N 449.503 5.219 30 10 IKEE CCOc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4ccc(Cl)cc4)CC3)c2c1 44167603 GLVMUJAQJFWFBS-UHFFFAOYSA-N 434.927 5.014 30 10 IKEE Cc1ccccc1N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 59166703 ZNIFLTJNNFVAQL-QLYXXIJNSA-N 438.300 5.260 30 10 IKEE CCCCCCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc([N+](=O)[O-])cc1 59503807 KOOQSRKTRUFHRG-HSZRJFAPSA-N 448.523 5.747 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(O[C@H](C)CC)cc2)cc1 59531620 FKQYBTOOMGJBKI-HCLVMJGWSA-N 433.548 5.267 30 10 IKEE CCCCCCCOc1cccc(NC(=O)CNc2cccc(C(=O)NCCCC)c2)c1 100098902 BTZVMEGKHDDKAX-UHFFFAOYSA-N 439.600 5.616 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)CNc1cccc(C(=O)NCC)c1 100105484 QZZWMPMPWFPKJQ-UHFFFAOYSA-N 445.692 6.446 30 10 IKEE CCCCCCCn1c(CNC(=O)c2ccc(Br)cc2)nc2ccccc21 102220893 WUBMRRNBFZEMQX-UHFFFAOYSA-N 428.374 5.699 30 10 IKEE Cc1cccc(/C=C2/Oc3cc(OS(=O)(=O)c4ccc(Cl)cc4)ccc3C2=O)c1 103022978 YGDKRWHBKSECKE-CIAFOILYSA-N 426.877 5.032 30 10 IKEE CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N/c1ccc(Cl)cc1 109751320 IGUFSIMNAZDHQP-WDIQAHRZSA-N 429.998 6.114 30 10 IKEE CCCCCCCCCCC[C@H](NC)c1cc(Br)sc1Br 115856484 NYKXFSSMYQHFRZ-HNNXBMFYSA-N 439.301 7.455 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3ccc(C)c(C)c3)cs2)cc(Br)c1O 169940435 RUWNCXPUOZKACV-YVNNLAQVSA-N 446.370 5.740 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1ccc(O)cc1)c1cc2ccccc2o1 169963696 PANKQZUZLTUIBP-JOCHJYFZSA-N 447.393 5.200 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2cccs2)s1 169984868 PUVMOPPQASGSNO-KRWDZBQOSA-N 444.965 5.566 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 170029474 UUSMYLQZYBONGA-DEOSSOPVSA-N 445.490 5.624 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2c2ccc(C)cc2)c1 170036772 RJWYTZSIBOXYLV-RUZDIDTESA-N 441.527 5.739 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2ccc(F)cc2)cc1 170061886 HXHZLPODNHMKFI-DEOSSOPVSA-N 443.474 5.106 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccccc2F)c1 170070840 OBELAHJLYWIEOT-QFIPXVFZSA-N 435.882 5.879 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2cccs2)c(C)c1 170160740 MGPDBTUHINSPQW-FQEVSTJZSA-N 434.473 5.056 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccccc2)cc1C 170225600 LLEQFBVUGGGLCE-RUZDIDTESA-N 441.527 5.793 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2)ccc1Cl 170231393 JOVUUARAGJMKOA-QFIPXVFZSA-N 439.939 5.650 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2)cc1 170233991 DNQQJRBLOYYHBR-XMMPIXPASA-N 433.548 5.777 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(F)cc2)cc1C 170239650 GREXIIYRSQEMJN-DEOSSOPVSA-N 445.490 5.706 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1C1CCCCC1 170275506 OOHNPLCOLJHTGF-VWLOTQADSA-N 425.528 6.059 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1ccco1)c1cc2cc(Cl)ccc2o1 170283780 LLQLJQVUXDJMAO-HXUWFJFHSA-N 435.819 5.168 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccc(C)o1 170309984 JARGFWVKOLCMCQ-JOCHJYFZSA-N 425.525 5.391 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)c(Cl)cc2OC)[C@H]1c1sccc1C 170318645 RQPQYWBJKHACEQ-SFHVURJKSA-N 449.956 5.106 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(C(C)C)cc2)c1 170377938 VDCHWPRNGBHBQN-QHCPKHFHSA-N 447.556 6.053 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(Cl)cc(Cl)c2)[C@@H]1c1ccccc1F)c1ccco1 170381922 XMPJVZPOLRQVNF-GOSISDBHSA-N 432.234 5.508 30 10 IKEE CC1(C)OB(/C(=C(\B2OC(C)(C)C(C)(C)O2)c2cccs2)c2cccs2)OC1(C)C 206645761 YRZSGGMIEOAGHP-ZCXUNETKSA-N 444.236 5.983 30 10 IKEE O=C(NCc1ccccc1)c1c(N=Cc2ccc3c(c2)OCCO3)sc2c1CCCC2 252621182 MUQBGVONZVWWRL-UHFFFAOYSA-N 432.545 5.079 30 10 IKEE CCCCN1C(=O)/C(=C2\Sc3ccccc3N2CC)SC1=Nc1ccc(F)cc1 254870570 WFTROEHQCDJWQO-SKGRIUKPSA-N 427.570 5.990 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[C@H]1Nc1ccc(Br)cc1C#N 312150740 KEQYIIRCMFSSJW-QXAKKESOSA-N 434.378 5.301 30 10 IKEE Cc1ccc(SC2=C(Nc3ccccc3C#N)C(=O)N(c3ccccc3Cl)C2=O)cc1 526663801 YCOPSJNTMUJHPD-UHFFFAOYSA-N 445.931 5.509 30 10 IKEE CCOc1cc(/C=N\n2c(CC)nnc2SCc2ccc(C)cc2)cc(Cl)c1O 526804005 AULMVMQIXCJSQI-FMCGGJTJSA-N 430.961 5.081 30 10 IKEE CCn1c(C)c(/C=N\n2cnnc2SCc2ccc(C(C)(C)C)cc2)c2ccccc21 526805693 NRYTWWOZFAJPME-DICXZTSXSA-N 431.609 6.033 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1c(C)[nH]c2ccccc12 526823227 UBNLWDPHNJCHCD-YSMPRRRNSA-N 428.565 5.457 30 10 IKEE CCc1nnc(SCc2cccc(F)c2)n1/N=C\c1ccc(OCc2ccccc2)cc1 526825367 UABBOTNVQFAISZ-YUMHPJSZSA-N 446.551 5.733 30 10 IKEE C=C(C)CN(c1ccc(N2CCC(C)CC2)cc1)S(=O)(=O)c1cc(Cl)ccc1OC 586257599 OJTOCKFCTSKIBY-UHFFFAOYSA-N 449.016 5.356 30 10 IKEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@H](C#N)c1ccc(Br)cc1Cl 698825770 CVAYYAOXTKMYTK-GFCCVEGCSA-N 427.648 5.467 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@H](C#N)c1ccc(F)cc1Br 710816898 YWJUIUFORQMMGO-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE Cc1nc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)sc1Br 719322436 QDGVKRPSPUWIEO-ZDUSSCGKSA-N 426.311 5.360 30 10 IKEE Cc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)c(C)c1Br 719633872 PGBDVFWXRKJIIP-SFHVURJKSA-N 449.776 6.726 30 10 IKEE COC[C@]1(OC)CC[C@@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](c3ccc(C=NO)cc3)C[C@]21C 888087321 GJMNAFGEUJBOCE-WUCHXUMNSA-N 449.591 5.426 30 10 IKEE C(=NNc1nc(SCCCc2ccccc2)n[nH]1)c1ccccc1OCc1ccccc1 1083992610 ZMFHCWRTTRMTRD-UHFFFAOYSA-N 443.576 5.555 30 10 IKEE C=C1/C(=C/C=C2\CCC[C@]3(C)C([C@H](C)C/C=C/C(O)(CC)CC)=CC[C@H]23)C[C@@H](O)C[C@H]1F 1307221034 LRLWXBHFPGSUOX-MOULDJQHSA-N 442.659 7.158 30 10 IKEE CCCCCCCCCCc1ccc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 1615943017 APJISGFJMXNINF-UHFFFAOYSA-N 430.614 6.189 30 10 IKEE COc1cc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc(OC)c1OC 1615947488 IKXHDVVLSNNCJU-STBIYBPSSA-N 438.483 6.262 30 10 IKEE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cccc3ccccc13)C(=O)C2=NNc1ccccc1 1772722341 PBNSWZYHOWWXFB-SXOMAYOGSA-N 425.532 5.642 30 10 IKEE CC(C)Cc1c(Cl)c(C(=O)Nc2ccccc2C#N)nn1Cc1ccccc1Cl 1859379370 JXDXGYUQAIRMMI-UHFFFAOYSA-N 427.335 5.561 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2cccc(C)c2)cc1 1862389293 CITXWXOFEIRSCL-XMMPIXPASA-N 435.564 5.079 30 10 IKEE COc1cc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C(C)C)ccc1OC(C)C 1862439003 UDOFZWHEPLJHER-NRFANRHFSA-N 443.927 5.123 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccccc1Br 1862439975 QVAQYMXAWZSLDR-XIKOKIGWSA-N 448.744 5.479 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)cc1 1862473666 DTWWYYOVXBVNRO-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE CCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc(O)c1 1862475910 XGQUJUUDJXBCSY-RUZDIDTESA-N 449.591 6.420 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(OCCC)c(OCC)c1 1862499263 CEDZYOKYUGSHKK-XMMPIXPASA-N 449.547 5.255 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 1862532789 GFRZVBBPNKGYFK-FQQGMQMYSA-N 448.519 5.314 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccccc1C 1862534964 ZBCVXXVYCPKQPK-RUZDIDTESA-N 433.592 6.496 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2ccc(Cl)cc2)cc1 1862558561 ZGFNUXWKPFVXCS-QHCPKHFHSA-N 446.934 5.052 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1 1862580786 RSXOZNHTZDPFHB-MMACOIQUSA-N 444.358 6.150 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccccc1 1862615285 KQFWBQQWSFNMTK-RVSNTGDXSA-N 431.576 6.141 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(O)c(O)c1 1862618112 PJQLETQNTBPYQT-JOCHJYFZSA-N 437.536 5.164 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@H]1c1ccccc1)c1cccc2ccccc12 1862648921 MOKFNCWYTNYQRF-MHZLTWQESA-N 447.534 6.051 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(F)cc2)cc1 1862662111 HQTWPIIARSYUHM-VWLOTQADSA-N 443.518 5.770 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2C2CCCCCC2)c1 1862704024 OPCXJZXPQKXHQC-DEOSSOPVSA-N 449.547 5.395 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(Cl)cc1 1862712069 IXRVEUYQHMNFPF-QHCPKHFHSA-N 433.935 6.118 30 10 IKEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(C)cc1 1862712974 FAPYEOFQWMTYSK-RUZDIDTESA-N 442.559 5.068 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(F)cc1 1862715219 LPNAOVHEGADILP-WSNNEZGNSA-N 443.518 6.136 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)=C(O)C(=O)N1[C@@H](C)c1ccccc1 1862737576 XVIYATZFJIUDQR-SBUREZEXSA-N 442.471 5.243 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(Nc3ccc(C#N)cc3)=C(c3c[nH]c4ccccc34)C2=O)c1 1863492625 CDGLHAFMFYDVHB-UHFFFAOYSA-N 446.510 5.049 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCOC)=C(c2cccc3ccccc23)C1=O 1863581146 SYGUBAGAFBKONW-UHFFFAOYSA-N 436.596 5.296 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2cccnc2)=C(c2ccccc2F)C1=O 1863644566 LMIZIFLOYQNKEY-UHFFFAOYSA-N 437.559 5.231 30 10 IKEE CN(CC(C)(C)C)c1cc(Nc2ccccc2C#N)nc(-c2ccc(C(C)(C)C)cc2)n1 1868550883 WZQDVAKANFORAF-UHFFFAOYSA-N 427.596 6.539 30 10 IKEE CCCCCCCCCCNC(=O)c1cn(-c2ccc(N(CC)CC)cc2)c(=O)cc1O 1870132945 DVDRGJOAKNJUMM-UHFFFAOYSA-N 441.616 5.260 30 10 IKEE CCCCCCCCCCn1cc(OCC(C)C)c(=O)cc1CSCc1ccccc1 1870260350 LIJQSJXOLLOKOD-UHFFFAOYSA-N 443.697 7.457 30 10 IKEE C=CCn1cc(OCCCCOc2ccccc2C)c(=O)cc1CN(CCC)CCC 1870321621 HGKLJSSBUHTSAJ-UHFFFAOYSA-N 426.601 5.203 30 10 IKEE CCCCCCCOc1cn(CCCCc2ccccc2)c(CN(CC)CCO)cc1=O 1870413185 UXRMUDDXKPRUFC-UHFFFAOYSA-N 442.644 5.035 30 10 IKEE CCCCCCCCCCn1cc(OCc2cccc(F)c2)c(=O)cc1CN1CCCC1 1870616763 NKYQHKZWWATTCR-UHFFFAOYSA-N 442.619 6.303 30 10 IKEE CCCCCCCCCCn1cc(OCc2ccc(C)cc2)c(=O)cc1CN(C)CCO 1870768706 LBVSVPGJZYJQTO-UHFFFAOYSA-N 442.644 5.301 30 10 IKEE CCCCCCCOc1cn(CCCCCO)c(CNc2ccc(OC)cc2C)cc1=O 1870837914 FFAMPDQPGIVHFD-UHFFFAOYSA-N 444.616 5.289 30 10 IKEE C=CCn1cc(OCCCCCC)c(=O)cc1CNc1ccc(Cc2ccccc2)cc1 1871124482 WYOFKAKGORSLGC-UHFFFAOYSA-N 430.592 6.196 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(OC)c2)C3=O)c1 1871388562 CNFJTARSBSRYJD-OYKKKHCWSA-N 428.440 5.095 30 10 IKEE Cc1c(OC(=O)c2cccc(OC(=O)C(C)C)c2)ccc2c1O/C(=C\c1ccccc1)C2=O 1871390209 KZEGSZWLRIUUIN-UCQKPKSFSA-N 442.467 5.392 30 10 IKEE COc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccc(F)cc1)C2=O 1871412057 NHLPZZVHKUERRD-GMPVXANTSA-N 447.462 5.165 30 10 IKEE Cc1cccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(F)c2)C3=O)c1C 1871413701 NRFAXVQXYQJTME-DNNAEVNTSA-N 445.490 5.773 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4C)cc(C)c3C2=O)cc1 1871453523 CPXPUTMBABSZRD-OYKKKHCWSA-N 443.499 5.336 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(OC)cc4)cc(C)c3C2=O)cc1 1871457265 XSSBBZPQNLOFRA-OYKKKHCWSA-N 443.499 5.200 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(O)cc2)[nH]c(N2CCCCCC2)n1 1871719081 WCOOMXHXDXDVCT-UHFFFAOYSA-N 440.636 5.676 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 1871763299 YLHBXSNDLDAZRI-QHCPKHFHSA-N 428.598 5.068 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1cc(C)ccc1C 1872555282 PZOXXHKFWGWGMO-HSZRJFAPSA-N 442.625 5.294 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3cc(OC)ccc3OC)n2)cc1 1872768505 VDRHGJAFWXGGAQ-WUTDNEBXSA-N 434.517 5.116 30 10 IKEE Cc1cccc(C)c1OCCCC(=O)[C@H](C#N)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872773779 YEEAMCVEBWZAPJ-IBGZPJMESA-N 448.544 5.234 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)CCCOc2ccccc2)n1 1872777112 GVXCLHINNCJUFN-OAQYLSRUSA-N 448.588 6.152 30 10 IKEE COc1c(Cl)cc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)s3)n2)cc1Cl 1872785695 TWVHTPWDGFILQG-VIFPVBQESA-N 443.764 6.330 30 10 IKEE CCc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2ccc(OC)c3ccccc23)cs1 1872789138 YZTZNLUTWIZXKQ-NRFANRHFSA-N 442.540 5.790 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccc(C)cc2)=C(c2cccc(OC)c2)C1=O 1873041947 ZRPCGOTXYXCGHQ-UHFFFAOYSA-N 434.580 5.234 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(F)c(Cl)c2)cc2c(NCc3cccc(C)c3)ncnc21 1873617443 PSRGFLIFZIOMAH-UHFFFAOYSA-N 449.917 5.583 30 10 IKEE N#Cc1ccccc1NC(=O)[C@@H]1c2ccccc2C(=O)N(Cc2ccco2)C12CCCCC2 1873868584 ITYZTYWIPOTJCG-DEOSSOPVSA-N 439.515 5.232 30 10 IKEE CCSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1ccccc1Cl 1874223157 WMAMWYZZQLRFOO-LFVJCYFKSA-N 428.989 5.500 30 10 IKEE C=CCSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1ccc(Cl)cc1 1874258695 DNCYOXLYFIREBI-BUVRLJJBSA-N 426.973 5.623 30 10 IKEE COc1ccc(Cc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccccc2C)cc1 1874350407 KYCSAYYQLFHVCR-JVWAILMASA-N 446.551 5.500 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(-c2cccs2)n1/N=C/c1ccccn1 1874425764 YZKAVECSDGQXTI-FOKLQQMPSA-N 429.933 5.369 30 10 IKEE CCSc1nnc(CC(C)(C)C)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874438992 DWPMTOUGWMPWRD-MFKUBSTISA-N 443.016 6.093 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1/N=C/c1cccc(C)c1 1874477929 PPELPROZLYNVOF-MFKUBSTISA-N 435.597 5.159 30 10 IKEE Cn1cc(/C=N/n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C2CCC2)c2ccccc21 1874494224 HENLIMFRVZUOIQ-ZMOGYAJESA-N 446.536 5.120 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CC2)c1 1874523648 ZKUNIYSJBLRVSW-FOKLQQMPSA-N 433.364 5.645 30 10 IKEE CCN(CC)C(=O)COc1c(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cccc1OC 1874569796 HBKMYUAJHAWKLX-VHEBQXMUSA-N 443.543 5.506 30 10 IKEE O=C(/C=C/c1c(OCc2cccc(Cl)c2)ccc2ccccc12)c1ccc2ccccc2c1 1874571306 GZHXBJFKJAICBH-FOCLMDBBSA-N 448.949 8.122 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccccc2Cl)cc1C 1874573818 GOLDAMVEMUYTFU-JXMROGBWSA-N 427.327 6.786 30 10 IKEE CCN(CC)C(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1cc(C)ccc1OC 1874581627 YGLWBDOAASLOIG-BUHFOSPRSA-N 431.532 5.300 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)NCCC)cc1 1874584671 ZSKVOMLVBHUJAK-OBGWFSINSA-N 437.580 5.837 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)c(Cl)c2)c1 1874618184 NXXQQEIUSTULGJ-VSFZPWCASA-N 447.962 6.109 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OCc1ccccc1Cl 1874622974 FSMASVUIVHJKGG-FYWRMAATSA-N 428.915 6.977 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCc3ccc(C)cc3)c(Cl)c2)cc1C(C)C 1874626891 BOSSDGANBMWXTA-ZRDIBKRKSA-N 448.990 7.564 30 10 IKEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1Cl 1874629201 QQZBARIPXVIONC-PKNBQFBNSA-N 427.972 5.717 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OCc1cccc(Cl)c1 1874630867 YMJKHLPIIBUBON-CSKARUKUSA-N 436.935 6.449 30 10 IKEE COc1cccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc4ccccc4c3)ccc2OC)c1 1874692426 GGTMSUKPEJDWRC-GXDHUFHOSA-N 438.479 5.972 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 1874695519 GFINBPXWUPIJGP-LICLKQGHSA-N 429.472 6.053 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OC(=O)Cc1ccc(F)cc1F 1874697811 BNZPRNFWGBHFAZ-YRNVUSSQSA-N 438.426 5.026 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cccc(OC(=O)c2ccc(Br)cc2)c1 1874698835 QHFZVNKVFUVVMR-NTEUORMPSA-N 437.289 5.573 30 10 IKEE O=C(CC12CC3CC(CC(C3)C1)C2)Oc1cccc(/C=C/C(=O)c2ccc3c(c2)OCO3)c1 1874707805 XVROGRJJUOMZDO-GQCTYLIASA-N 444.527 5.823 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1OC(=O)Cc1cccs1 1874711499 AWAWFCHIDHEFGT-CSKARUKUSA-N 434.557 6.035 30 10 IKEE CCOc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c(C)c3C)c2)cc1 1874712376 VQLOXGVOJFTLPZ-OQLLNIDSSA-N 430.500 5.826 30 10 IKEE C=CCN(CC=C)CCC(=O)c1ccc(OC(=O)CCCOc2c(C)cccc2C)cc1 1874744682 OJSGKBGJKDXGFX-UHFFFAOYSA-N 435.564 5.315 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccnc3)c(OCC)c2)cc1 1875106339 NXYHERKTENRPCT-RVDMUPIBSA-N 429.516 5.938 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)cc3)c(Cl)c2)cc1C 1875107118 AUASRGKZEMPKLF-DHZHZOJOSA-N 434.919 6.010 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(C)c3)cc2[N+](=O)[O-])cc1 1875108262 GSAAETVYDJZHHJ-NYYWCZLTSA-N 447.443 5.036 30 10 IKEE Cc1ccccc1CCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 1875126462 JLZBNQKGFWWJSD-AWNIVKPZSA-N 449.890 5.991 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OCC)cc3)cc2)cc1 1875129518 GRHDEBUXTMSTSE-GIJQJNRQSA-N 444.527 5.918 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)c(C)c3)c(Cl)c2)cc1 1875137426 LYPUHUUFBFARSI-AWNIVKPZSA-N 448.946 6.861 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)c1ccc(C)cc1 1875140501 JRMKKTAIICDGLS-JLHYYAGUSA-N 448.946 6.779 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3OC)cc2)cc1 1875143778 QCHZHVBUNPUCTP-LFIBNONCSA-N 444.527 5.837 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1)c1c(F)cccc1Cl 1875154142 QVQKOEWZPHOWJN-DTQAZKPQSA-N 430.862 6.748 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1 1875156061 ZNQJSIRKLPYTHL-WUXMJOGZSA-N 449.890 6.487 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)Cc1cccs1 1875170466 ZSXGAOSNVZDUMM-CSKARUKUSA-N 434.557 6.035 30 10 IKEE COc1cc(C(=O)/C=C/c2ccc(OC(=O)CC(C)C)c([N+](=O)[O-])c2)c(OC)cc1Cl 1875173832 PYNWVKOREOHHAQ-FNORWQNLSA-N 447.871 5.113 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc([N+](=O)[O-])c1OC(=O)c1cccnc1 1875175004 USUIAQPEBJNVGY-CSKARUKUSA-N 446.459 5.121 30 10 IKEE CCCCCCCCC[C@H](CCCN(Cc1ccccc1)C(=O)OC(C)(C)C)NCCC 1915234936 REJKPIVGUMGWKP-AREMUKBSSA-N 446.720 7.713 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)C(C)(C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1922123506 AOFAXBXNVVPKOV-PKTZIBPZSA-N 430.633 5.411 30 10 IKEE CCC1(NC(=O)OC(C)(C)C)CC(C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 1947417304 IRBNGWJFOGBLIY-UHFFFAOYSA-N 435.609 5.676 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@@]1(C#N)CN(Cc2ccccc2)C(C)(C)C1 1949248867 XHKNNYCNYZIEER-VWLOTQADSA-N 439.987 6.028 30 10 IKEE CC[C@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(C)cc1 2014644792 IURUTLLDGPYIJC-NTKDMRAZSA-N 429.561 5.418 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CC2)CC12CCCCC2 2018645538 MMCGGXBYYBTPTM-XMMPIXPASA-N 433.593 5.382 30 10 IKEE CCN[C@@H](CC#CC1CCCCC1)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2032498784 ACVGKBNROODQTE-GVXSCFBNSA-N 442.644 5.437 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 2037321711 QGOJUYFGLNTGCO-DEOSSOPVSA-N 445.535 5.251 30 10 IKEE CC(C)N[C@@]1(C#N)C[C@H](C)C[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)C1 2055022971 HKAPMEYQGXHTPQ-RTVRTQBESA-N 432.656 5.070 30 10 IKEE Cc1ccc(C(F)(F)F)cc1Cn1nc(C2CCCCC2)c(C#N)c1Br 2080313025 TXRHOWZDULWVIZ-UHFFFAOYSA-N 426.280 5.941 30 10 IKEE Cc1nn(C(F)(F)F)c(I)c1-c1cccc(C(F)(F)F)c1F 2080915775 CWLGEPVIHSHAND-UHFFFAOYSA-N 438.084 5.097 30 10 IKEE C=CCCCCCCCC[C@@H](NCC)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2086264633 VXZOGZREWCIUQH-RPBOFIJWSA-N 446.676 6.381 30 10 IKEE CC[C@@H]1CC[C@H](Nc2ccc(C#N)c(Br)c2F)CN1C(=O)OC(C)(C)C 2105983240 KUXMSGVTJWQHHB-UONOGXRCSA-N 426.330 5.050 30 10 IKEE C[C@@H](C[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br)C(F)(F)F 2121445578 SDPULYPXAXOUIC-SJCJKPOMSA-N 435.284 6.061 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCC)c2cccc(Br)c2Cl)C1 2136572701 HALSFZYUQKVLNR-KRWDZBQOSA-N 443.813 5.614 30 10 IKEE CC(C)N[C@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)C1CCCCC1 2142969992 JWXBDYFAEDYOKJ-GDLZYMKVSA-N 446.683 5.461 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCC[C@@]23C[C@@H](CO2)[C@@H]31 2144302604 IGVNDXWENRCUHM-ITNCUTESSA-N 433.346 5.042 30 10 IKEE C=CCC[C@H](C)[C@@H](NCCC)[C@H](O)c1scc(Br)c1Br 2158324323 PBIAAPPWGIWONG-GDLCADMTSA-N 425.230 5.277 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(OCCNc2ccc(C#N)cc2Br)cc1 2162412373 DGQLTULCSCCCOC-UHFFFAOYSA-N 432.318 5.159 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)COC2(CCCCC2)C1 2179042821 JHXWPACMKBWBJW-FQEVSTJZSA-N 435.362 5.576 30 10 IKEE CC(C)(C)OC(=O)N1CCc2sccc2[C@@H]1CNc1cccc(Br)c1C#N 2194005963 NQSXLMGUQYADKJ-KRWDZBQOSA-N 448.386 5.329 30 10 IKEE C=CCN(CC[C@H](NCCC)c1cc(Br)cc(OC)c1)C(=O)OC(C)(C)C 2201024949 ZZFBVKPCUAKBPH-IBGZPJMESA-N 441.410 5.312 30 10 IKEE CCCC#C[C@H](NCCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237404796 KQYXOYIBXZSJEA-PMACEKPBSA-N 437.422 5.057 30 10 IKEE C#CCC1(NC(=O)CCCNC(=O)OCC2c3ccccc3-c3ccccc32)CCCCC1 2243914241 AXVVEHXEAHBHGP-UHFFFAOYSA-N 444.575 5.148 30 10 IKEE CC(C)[C@@H](C)N(Cc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(Cl)c1 2255765132 MAWGAFQJJIVRDW-GOSISDBHSA-N 441.808 5.326 30 10 IKEE C=CCC[C@@H](COc1nc2ccc(Br)cc2s1)NC(=O)OC(C)(C)C 2264301344 IWEFXXBMFYZJPO-ZDUSSCGKSA-N 427.364 5.297 30 10 IKEE CC(C)(C)C#CC=CC[C@H](N)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2268750267 JYEBPOXIKNXUQJ-MHZLTWQESA-N 439.599 6.840 30 10 IKEE C=C(COCc1ccccc1)[C@]1(OCC(=O)O)CN(Cc2ccccc2)C2(CCCCC2)C1 2275810105 ZZCCGOIMFVIXOA-MUUNZHRXSA-N 449.591 5.208 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@H](O)C#Cc2ccccc2Cl)cc1Br 2277859037 DJCLLDKGPWXKDP-GOSISDBHSA-N 436.733 5.535 30 10 IKEE C=CC[C@H](C)[C@@H](NCCC)[C@](C)(O)c1cc(Br)c(Br)s1 2281227643 YKTOWJICEPKOFK-PSOPSSQASA-N 425.230 5.061 30 10 IKEE CN[C@H](C#Cc1ccccc1F)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2281374333 ZXOGGRAUGMLNSS-GOSISDBHSA-N 433.321 5.247 30 10 IKEE C=CC[C@]1(COc2cc(Br)c(C)cc2N)CCCCN1C(=O)OC(C)(C)C 2287700783 ZBBAEOYTQPWAPT-OAQYLSRUSA-N 439.394 5.454 30 10 IKEE CCN[C@@H](C#Cc1cccc(Br)c1)C(C)(C)CCCNC(=O)OC(C)(C)C 2296225003 PZMBDFKZQQBQDK-IBGZPJMESA-N 437.422 5.110 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)C[C@H](CC(C)C)NC(=O)OC(C)(C)C 2296293977 OYDCKZQZYKGHLN-PMACEKPBSA-N 437.422 5.108 30 10 IKEE CSC1(C#C[C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CC1 2299625977 BMNNBUWMAMZLPU-XMMPIXPASA-N 430.569 5.777 30 10 IKEE O=C1NC(=Nc2ccc(F)cc2)SC1=Cc1ccccc1OCc1cccc([N+](=O)[O-])c1 2313558369 ZFENCXUSKSBHDP-UHFFFAOYSA-N 449.463 5.205 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=Nc1ccccn1 2314541764 PUBYNPMWRJMYJU-UHFFFAOYSA-N 432.461 5.040 30 10 IKEE Cc1cc(OCc2c(Cl)cccc2Cl)cc2c1C(=O)C(=Cc1ccc(F)cc1)O2 2321773201 OIAZHCWWBSNIAS-UHFFFAOYSA-N 429.274 6.636 30 10 IKEE O=C1C(=Cc2ccc(F)cc2)Oc2cc(OCc3cc(Cl)cc4c3OCOC4)ccc21 2321876632 ZKSVXCSYFPDUFW-UHFFFAOYSA-N 438.838 5.541 30 10 IKEE Cc1ccc(OCc2nnc(S)n2N=Cc2cccc(OCc3ccccc3)c2)c(C)c1 2322051999 AWKUYYMVZHMWAZ-UHFFFAOYSA-N 444.560 5.224 30 10 IKEE CCCCC[C@@H](CC)N1COc2ccc3c(c2C1)OC(=Cc1ccc(C(C)C)cc1)C3=O 2322071909 DWBIRXURXWTEKC-JOCHJYFZSA-N 433.592 6.937 30 10 IKEE CCCCCCCCCCN1COc2ccc3c(c2C1)OC(=Cc1ccccc1F)C3=O 2322130882 GIGCPTLDEFLNEK-UHFFFAOYSA-N 437.555 6.735 30 10 IKEE CCCCOCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(F)cc1)C3=O 2322145558 PAGYKBUBCZJKIR-UHFFFAOYSA-N 425.500 5.109 30 10 IKEE CCN(CC)CCCN1COc2c(cc3c(c2C)OC(=Cc2ccc(Cl)cc2)C3=O)C1 2322378821 OAHCRXNBTWHDLG-UHFFFAOYSA-N 440.971 5.148 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@](C#N)(N(C(=O)OC(C)(C)C)C1CCCCCC1)C2 2322624952 FEDQHAKCKAUWCF-KHOMTPLRSA-N 447.620 5.628 30 10 IKEE CCOc1c(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc(Br)cc1OC 2322926610 PTNHHXUZEKRGRV-UHFFFAOYSA-N 439.733 5.723 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1OCc1ccc(F)cc1 2323149254 ANYVXOZXVDALRK-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc(C)c(C)c4)c3C)C2=O)c(OC)c1 2323247877 ZBXMZYPZBHTKNA-UHFFFAOYSA-N 444.483 5.464 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(OC)c1OCc1ccccc1C 2323409916 LWQLTRMIRLFTNH-UHFFFAOYSA-N 448.562 7.360 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(Cl)c2)cc(OC)c1OCc1cccc(C)c1 2323775062 UIBLIJOYXZAOHA-UHFFFAOYSA-N 432.947 6.861 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(F)c2)C3=O)c1 2323839185 QOWNUGISRKUGGS-UHFFFAOYSA-N 432.447 5.758 30 10 IKEE COc1cccc(-c2csc(NN=Cc3cccc(OCc4ccc(Cl)cc4)c3)n2)c1 2323839995 XUFGURXOTHUYEF-UHFFFAOYSA-N 449.963 6.497 30 10 IKEE C=CCOc1c(Br)cc(C=CC(=O)c2ccc(OCC)cc2)cc1OCC 2323840803 XWLODGQHKHETQN-UHFFFAOYSA-N 431.326 5.707 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 2324244772 MJYQUOHTEPOOER-UHFFFAOYSA-N 429.806 6.002 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OCc1c(Cl)cccc1Cl 2324261499 UTMBECDJTBOFRL-UHFFFAOYSA-N 449.280 6.755 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OCc2ccccc2C)c([N+](=O)[O-])c1 2324372125 DDQNYLFGYRITRS-UHFFFAOYSA-N 431.488 6.004 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccccc2C)C3=O)cc1 2324490845 UEFLIQOTNQZIRX-LJQANCHMSA-N 441.527 5.888 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)c(C)c1 2324494252 IYEWBSWFLUJIOX-FQEVSTJZSA-N 439.511 5.882 30 10 IKEE CCOc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1OC 2324672640 HMHYBSZHVBEKHP-SFHVURJKSA-N 443.528 5.588 30 10 IKEE CCCCCCCCCOc1ccc2c(c1C)OC(=Cc1ccc(OC)cc1OC)C2=O 2325185231 JGEKJLPQTGZMLE-UHFFFAOYSA-N 438.564 6.758 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(Cl)cc2)cc2c1C(=O)C(=CC=Cc1ccccc1)O2 2325513696 IGTCSAWMGFNGPD-UHFFFAOYSA-N 445.902 5.838 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(OCC)cc1 2325564678 WXVNFMQCPAMZSJ-UHFFFAOYSA-N 449.407 6.111 30 10 IKEE Cc1c(OCC(=O)Nc2nc3ccccc3s2)ccc2c1OC(=Cc1cccs1)C2=O 2325590362 YKMVSNNHPHQMKY-UHFFFAOYSA-N 448.525 5.300 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(OC(C)C)c(OC)c1 2325604875 XZLXVSIHGWHIDP-UHFFFAOYSA-N 444.988 5.464 30 10 IKEE COc1ccccc1CCC(=O)Oc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC 2325759970 JEMKZWGROLDIFF-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE C=CCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1cccc([N+](=O)[O-])c1 2326618524 FQPGLRFPAZAJHW-UHFFFAOYSA-N 443.532 5.285 30 10 IKEE CCOc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2ccccc2)cc1 2326672712 ABXNFMGFGJTBTA-UHFFFAOYSA-N 444.560 5.430 30 10 IKEE C=CCSc1nnc(COc2ccccc2OCC)n1N=Cc1cccc2ccccc12 2326846254 OMHOQCNFEREEPW-UHFFFAOYSA-N 444.560 5.569 30 10 IKEE Cc1ccc(CSc2nnc(Cc3cccc4ccccc34)n2N=Cc2ccncc2)cc1 2327705028 GXSITGHEWGTFCY-UHFFFAOYSA-N 449.583 5.900 30 10 IKEE CC(C)(C)c1ccc(NC(=O)N[C@H]2CCN[C@H](C(=O)C=Cc3ccc(Cl)cc3)C2)cc1 2329669143 VDPFAESXDIXKHV-VXKWHMMOSA-N 439.987 5.162 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)C=Cc1ccc(Cl)cc1)[C@@H](C)CC 2330377248 UJFMQIXNNWEZCN-GBXCKJPGSA-N 435.052 6.141 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)cc2)cc1 2330740698 HVTLSSJYVUCKBM-NRFANRHFSA-N 442.555 6.641 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)(C)C)n2N=Cc2ccc([N+](=O)[O-])cc2)c1 2330845051 YQVAZBOLDWVOPT-UHFFFAOYSA-N 437.569 5.566 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2ccc(C)cc2)nnc1[C@H]1CCCO1 2330889242 HBGWXGASPQWYKB-JOCHJYFZSA-N 434.565 5.177 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)c2cccc(Cl)c2)c(Cl)c1 2331063800 YADQLKVWSBSXRT-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2C(F)(F)F)cc1 2331108649 JRPYWEHVFHELBS-UHFFFAOYSA-N 448.514 5.959 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccccc3Cl)nnc2C(F)(F)F)c1 2331138351 TYYLFQMPCSDATP-UHFFFAOYSA-N 426.851 5.133 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(F)(F)F)n2N=Cc2ccc(N(C)C)cc2)c1 2331138433 LYFPNPKPXZEVDB-UHFFFAOYSA-N 433.503 5.154 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)c1cc(C)cc(C)c1 2331408204 HRLNSXFLDKVVCR-UHFFFAOYSA-N 444.483 5.199 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1 2331491741 JALJYJGAHNMEFK-UHFFFAOYSA-N 442.555 6.779 30 10 IKEE COCC(=O)Oc1ccc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)cc1Cl 2331636636 DCMGMJPSLZWTAU-UHFFFAOYSA-N 429.683 5.103 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1C1CC1 2331734464 LRDPPSOMMINRGC-UHFFFAOYSA-N 437.525 5.027 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)Cc1ccccc1 2331761776 YWKLSIQIIIFFSE-UHFFFAOYSA-N 448.946 6.318 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1[N+](=O)[O-] 2331769729 JAKSLLVPTJWMHG-UHFFFAOYSA-N 445.471 5.644 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2ccc(OC(=O)CC(C)C)c(Cl)c2)cc1Cl 2331808415 LRLRJNYHSAEYQX-UHFFFAOYSA-N 441.738 6.503 30 10 IKEE CCCN[C@@H](C#CC1(SC)CCC1)c1cc(Br)c(Br)s1 2361305046 GIEBEYNIJJUMDL-LBPRGKRZSA-N 437.266 5.603 30 10 IKEE CCCCCCCCN(C)[C@H](CN)c1sc(Cl)cc1I 2366644636 CQLKFJHUGMWWRY-CYBMUJFWSA-N 428.811 5.298 30 10 IKEE CC1(C)OB([C@@]2(C)CCN(Cc3c(Br)sc4ccccc34)C2)OC1(C)C 2368430314 GWJWKXULYWZKOE-FQEVSTJZSA-N 436.224 5.722 30 10 IKEE N/C(=N/C1CCCC1)c1ccc(-c2ccc(-c3ccc(/C(N)=N\C4CCCC4)cc3)o2)cc1 1546060 QWOAXYIWWNHZBQ-UHFFFAOYSA-N 440.591 5.909 30 10 IKEE Oc1ccc(/N=N\c2ccc(Cl)cc2Cl)cc1/C=N/Nc1nc2ccccc2s1 9296719 OMUUILJZYRYNHW-JCOWHHPYSA-N 442.331 7.170 30 10 IKEE CC(C)COC(=O)c1cc(-c2ccc(/C=C3\C(=O)ON=C3c3ccccc3)o2)ccc1Cl 20035588 PSOSDOPBGNGVHK-MOSHPQCFSA-N 449.890 5.757 30 10 IKEE O=C(/C=C\c1ccccc1[N+](=O)[O-])Oc1ccccc1/C=C\C(=O)c1cc2ccccc2o1 33376026 LFWRPHQHEBULBX-VMNXYWKNSA-N 439.423 5.856 30 10 IKEE COc1ccc(/C=C2/Oc3cc(OCc4ccc(F)cc4)ccc3C2=O)c(OC)c1OC 33792548 JKHVYEMGTXQCGK-WSDLNYQXSA-N 436.435 5.047 30 10 IKEE C=C(C)[C@@H](O)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C 33830418 MHGLNDDJLDJDBG-ONYSRWDTSA-N 442.728 7.140 30 10 IKEE O=C1/C(=C\c2ccc(Cl)cc2)S/C(=N\c2ccccc2)N1[C@@H]1CCCc2ccccc21 35377145 TWKSTXVZGLYRBY-ZYIQGUJDSA-N 444.987 7.022 30 10 IKEE CC(C)CCOc1ccc(C(=O)N(CCC#N)Cc2ccccc2)cc1Br 36563562 AWTVLKOBPIATMV-UHFFFAOYSA-N 429.358 5.430 30 10 IKEE COc1ccc(OC)c(/C=C2\S/C(=N/c3cccc(C)n3)N(c3ccccc3)C2=O)c1 39863517 RRIAAQXOKKENLR-SYUAUQEVSA-N 431.517 5.216 30 10 IKEE C=CCOc1ccc([C@@H]2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2CCCC)cc1 39911900 DYKSDDNXIPLBCY-XMMPIXPASA-N 431.536 5.309 30 10 IKEE Cc1cc(C)cc(NC(=O)c2oc3c(c2C)/C(=N/Nc2ccc([N+](=O)[O-])cc2)CCC3)c1 40814692 WRJPZTDMUADHBQ-NHFJDJAPSA-N 432.480 5.518 30 10 IKEE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)/C(=N/Nc2ccc(F)cc2)CCC3)c1 40823922 ZIHJWLKTNKFGBC-XHLNEMQHSA-N 434.511 6.531 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O3)CN(Cc1ccc(F)cc1)CO2 41645828 GFLSPMZXAMJFKO-MXAYSNPKSA-N 443.518 6.226 30 10 IKEE COc1ccccc1CN1COc2cc(C)c3c(c2C1)O/C(=C\C=C\c1ccccc1)C3=O 41649457 DRYGFBVDANNGOY-GXWRHTCTSA-N 439.511 5.528 30 10 IKEE C=CCNC(=O)c1cc(-c2csc(-c3ccc(C)nc3)n2)n(Cc2cccs2)c1C 43251673 QDJUFESAFPMWNO-UHFFFAOYSA-N 434.590 5.316 30 10 IKEE O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1ccccc1C(F)(F)F)c1c(O)n[nH]c1N2 98036652 BBUZLNIRBWJHPO-MGPLVRAMSA-N 431.439 5.154 30 10 IKEE CCCCCCCOc1ccc(NCC(=O)Nc2cccc(C(=O)N(CC)CC)c2)cc1 100077656 OEVGZYUTGJNXEF-UHFFFAOYSA-N 439.600 5.568 30 10 IKEE CCCCCCCCCn1c([C@@H](C)c2ccc3cc(OC)ccc3c2)nc2ccccc21 101041814 XJNPIEBYHBDKRL-QFIPXVFZSA-N 428.620 8.101 30 10 IKEE CCCCCCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccc([N+](=O)[O-])c1 101285160 HMLZKWOPDZSXTP-HSZRJFAPSA-N 448.523 5.747 30 10 IKEE CCCCCCCCCn1c([C@H]2CC(=O)N(Cc3ccc(OC)cc3)C2)nc2ccccc21 101906196 ZKOKFVHYTMHLCG-QHCPKHFHSA-N 447.623 6.312 30 10 IKEE O=C(/C=C\Nc1ccc(Oc2cccc(N/C=C/C(=O)C(F)(F)F)c2)cc1)C(F)(F)F 102429149 BVCVSVJXLFKRJQ-PNQPDEHRSA-N 444.331 5.593 30 10 IKEE CCN(CC)c1ccc(/C=C\C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 103692343 YIXGFPLBVOXWJR-GRSHGNNSSA-N 448.588 5.538 30 10 IKEE N#Cc1ccc(Oc2c(Br)cc([N+](=O)[O-])cc2Br)cc1Cl 110262982 PMVFTKYSLVDAIL-UHFFFAOYSA-N 432.455 5.437 30 10 IKEE CCCCCCCOc1ccc(NC(=S)NC(=O)/C=C\c2cccc3ccccc23)cc1 111239745 QHUHEWOTESQLES-RGEXLXHISA-N 446.616 6.715 30 10 IKEE CCCCCOc1ccc(/C=N\n2c(COc3ccccc3)nnc2SC)cc1OC 169916422 GUDAIJOBOIKPOT-JLPGSUDCSA-N 440.569 5.039 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(OC)cc2)cc1 169923378 AVBGQFBEJULACO-QHCPKHFHSA-N 431.463 5.180 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)CCc2ccccc2)=C(O)C(=O)N1c1cc(C)cc(C)c1 169941410 HFOIIZDWTTYAAH-SANMLTNESA-N 441.527 5.414 30 10 IKEE CCCCCCCCCOc1ccc(-c2nc3cc(OC)c(OC)cc3[nH]2)cc1OC 169943234 QIJCPHQZEIZHRK-UHFFFAOYSA-N 426.557 6.385 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@H]2c2cccs2)c1 169986958 LYXDTCFRJXYJFC-NRFANRHFSA-N 437.948 6.110 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@H]2c2ccncc2)c1 170017153 YUSZWVMZJCXKNU-QHCPKHFHSA-N 442.515 5.171 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccccc2)cc1 170028824 UMTAQSSNCGFYKK-DEOSSOPVSA-N 439.467 5.614 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2c(C)[nH]c3ccccc23)cc1C 170103931 RSTCKBRPJHSAKI-DEOSSOPVSA-N 440.499 5.465 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2sccc2C)c(C)c1 170106084 SOZNEHBQPDFUGA-JOCHJYFZSA-N 447.556 5.773 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@H]2c2ccc(O)cc2)cc1 170136820 UTUFYUYZZCORTB-QHCPKHFHSA-N 437.536 5.340 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@@H]1c1cccc(C)c1 170147369 NHWSGLAOWUQXKT-DEOSSOPVSA-N 435.564 5.798 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)cc(C)c3OC)[C@@H]2c2cccnc2)cc1 170185874 KAVFAPCTHRWUEX-QHCPKHFHSA-N 442.515 5.052 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2cccnc2)cc1 170186669 ILHLFDYSJSOABT-DEOSSOPVSA-N 436.467 5.026 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccccc2)c1 170223811 JQGVAORPCVMFJG-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2)c(OCC)c1 170233906 VHUDSMDOSIMEJV-HSZRJFAPSA-N 435.520 5.005 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@@H]1c1ccc(C(C)C)cc1 170245455 XTOGLGMKOBYTMY-QFIPXVFZSA-N 441.955 5.850 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@H]1c1cccc(O)c1 170262866 UTFSZOFFEFTMON-HSZRJFAPSA-N 437.536 5.211 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@@H]1c1ccccc1C 170276643 ICCIQAOXWWLQOT-NRFANRHFSA-N 427.928 5.426 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2ccc(C)c(C)c2)o1 170301863 LRCXHNVKWMHOGJ-MZNJEOGPSA-N 443.499 5.311 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccc(C)o2)c1 170302337 QUFZOJFQKYMQIR-HSZRJFAPSA-N 431.488 5.386 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(C)o2)c1 170303871 MFKSAKWMMSWKAH-NRFANRHFSA-N 437.879 5.341 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccc(C)o2)c(C)c1 170304713 SPSCOZVTIJRYHA-QHCPKHFHSA-N 431.488 5.305 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2sccc2C)cc1 170313623 QVGOCYFWPMZABG-HXUWFJFHSA-N 437.492 5.377 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(C)cc2C)cc1 170454390 WLSQIKPUSDDJKF-HSZRJFAPSA-N 434.580 5.665 30 10 IKEE Cc1cccc(Oc2ccc(N3C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]3c3cccs3)cc2)c1 170476502 PYPAQSCXAVHFKN-QFIPXVFZSA-N 447.556 6.364 30 10 IKEE N#CC(C#N)(Cc1ccc(SC(F)(F)F)cc1)Cc1ccc(SC(F)(F)F)cc1 247703205 BIOLOKMVNSRYEU-UHFFFAOYSA-N 446.441 6.729 30 10 IKEE Cc1ccc(N=C2NC(=NN=Cc3ccccc3O)SC2=Nc2ccc(C)cc2)cc1 252626025 QUQPMXIGAFXLML-UHFFFAOYSA-N 427.533 5.496 30 10 IKEE CCCC[C@H](CC)OC(=O)CSc1nnc(N/N=C/c2cccc(Cl)c2Cl)[nH]1 253562794 DSHILXAYSYMHBW-IMRMQAIZSA-N 444.388 5.162 30 10 IKEE O=C(Oc1ccc2ccccc2c1C=NNC(=S)Nc1ccccc1)c1ccccc1 254441780 NHWUJCNIZBFDKH-UHFFFAOYSA-N 425.513 5.380 30 10 IKEE C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC/C2=N/N=C/c1ccc([N+](=O)[O-])s1 504156848 BKFIBDWKIPCPQA-YLEAJSOUSA-N 441.597 5.755 30 10 IKEE Cc1ccc(SC2=C(Nc3cccc(C#N)c3)C(=O)N(c3cccc(Cl)c3)C2=O)cc1 526661353 FDVZWHYAYCZLME-UHFFFAOYSA-N 445.931 5.509 30 10 IKEE COc1cccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccc(F)cc2)c1 526803288 WKCLVWCFQRMXIL-QQXSKIMKSA-N 432.524 5.191 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)Nc3ccccc3CC)C2)c1 585880216 MFFHROUYSSWFDZ-HSZRJFAPSA-N 448.611 5.513 30 10 IKEE C[C@H]1CCCC[C@@H]1N(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(Br)cc1 586126442 OREPHEOBISGCLS-KKSFZXQISA-N 447.398 5.090 30 10 IKEE COc1cc(C)c(C)cc1S(=O)(=O)N(Cc1cccc(C#N)c1)c1cc(C)cc(C)c1 586215050 RJTWOTCSKXBAOC-UHFFFAOYSA-N 434.561 5.196 30 10 IKEE COc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)cc1C 698448380 WMUTUTNPCSFDLO-SFHVURJKSA-N 431.330 5.773 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)C2CCN(C(=O)OC(C)(C)C)CC2)c1 698467727 DWFPSOJAUVGPRH-VWLOTQADSA-N 443.588 5.666 30 10 IKEE Cc1cc(Cl)cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)c1 698468095 GRQUKNNVZMAKSE-GOSISDBHSA-N 435.749 6.417 30 10 IKEE COCc1cccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)c1 698482528 OTEYNLLBEBEVPC-LJQANCHMSA-N 431.330 5.602 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCCC[C@H]1C(C)(C)C 698498463 TUOJXGQKKFAOKN-PGRDOPGGSA-N 435.406 6.689 30 10 IKEE CC(=O)c1c(C)nc(SCC(=O)Nc2ccccc2)c(C#N)c1/C=C\c1ccccc1 951723509 ZICOGCCOAIKXLQ-YPKPFQOOSA-N 427.529 5.366 30 10 IKEE CO/N=C(/C)[C@@H]1/C(=N/OC)C[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C 1076405107 KLCZPBNZZJGNRW-WAEXBDBMSA-N 432.605 5.212 30 10 IKEE O=C1/C(=C/c2cccn2-c2ccccc2)S/C(=N/Cc2ccccc2)N1Cc1ccccc1 1084605690 ZEAHKDYFVSRCJH-FCLXHUHZSA-N 449.579 6.150 30 10 IKEE COc1ccc([C@@H]2[CH]S/C(=N/c3ccccc3)N2C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 1614963233 INFZHYJEHVRMQR-UKGSZNJTSA-N 448.524 5.276 30 10 IKEE C=CCN1C(=O)/C(=C(\C)c2ccc(Br)cc2)SC1=Nc1nc(C)cs1 1772739117 PRPPYPQVETYNID-FVLYSNIGSA-N 434.384 5.394 30 10 IKEE C=CCN1C(=O)/C(=C/C=C\c2ccccc2)SC1=Nc1nc(-c2ccccc2)cs1 1772739793 VODSQKPVTNJECU-HBYNSYKLSA-N 429.570 6.156 30 10 IKEE Cn1cccc1/C=C1/SC(=Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C1=O 1772742879 GPVIUJYRJXIINV-YCWTWADVSA-N 428.344 6.141 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCC)NC(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1 1861421289 AIPYMJAUZGKYPM-QHCPKHFHSA-N 448.611 5.605 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1Cl)c1ccccc1Cl 1862432640 JMDFGJKLVUUPLO-NRFANRHFSA-N 438.310 5.772 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccccc2)cc1 1862441262 DBBJTTZHGXCPGV-HSZRJFAPSA-N 431.919 5.469 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(OC)cc1 1862444814 HZKBVJAFDMLQHQ-NRFANRHFSA-N 427.928 5.507 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(Br)cc1 1862452548 FJRROSXBZAAZTD-KRWDZBQOSA-N 434.717 5.089 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cccc(F)c1)c1c(F)cc(F)cc1F 1862457331 NDNGSWCECNIEBF-HXUWFJFHSA-N 433.401 5.154 30 10 IKEE CCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1C 1862475895 WWBANAYFWOZMTE-SANMLTNESA-N 447.619 7.022 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2cccc3ccccc23)c1 1862494009 CTDDKOMLFKXKSQ-VWLOTQADSA-N 443.543 5.460 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccc(C)cc2)cc1 1862507555 OFXMQXJQPRJDIC-VWLOTQADSA-N 443.518 5.572 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CC(C)C)c1 1862546794 GBTYZGFHGJLLRB-DEOSSOPVSA-N 433.548 5.198 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(CC)cc1 1862590784 PXZXBAWSIIWLGR-QPPBQGQZSA-N 435.564 5.892 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1cccc(Cl)c1)c1ccc(F)cc1 1862675326 HWWQMGRGFLLURV-NRFANRHFSA-N 439.845 5.397 30 10 IKEE N#Cc1ccccc1N1C(=O)C(Nc2ccccc2F)=C(c2cccc3ccccc23)C1=O 1862854146 OAWYQJQOUYPDFM-UHFFFAOYSA-N 433.442 5.247 30 10 IKEE Cc1ccc(C2=C(Nc3cc(Cl)ccc3C)C(=O)N(c3ccccc3C#N)C2=O)cc1C 1862884860 FEDFRIFCZZGXMW-UHFFFAOYSA-N 441.918 5.534 30 10 IKEE Cc1cc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccccc3F)C2=O)ccc1C(C)C 1862929688 GYWZIEHBUBCCID-UHFFFAOYSA-N 439.490 5.526 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2)=C(c2ccc(OC(C)C)cc2)C1=O 1863353123 YAFFIDLNBCEGDS-UHFFFAOYSA-N 434.580 6.026 30 10 IKEE CCCCCCCCNC1=C(c2ccc(Cl)c(Cl)c2)C(=O)N(CCCC)C1=O 1863627057 PTHBNAGZENFLJB-UHFFFAOYSA-N 425.400 5.824 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)NC(c1ccccc1)c1ccccc1 1866029491 KAVCDKNIHMJITK-UHFFFAOYSA-N 449.723 9.154 30 10 IKEE CCCC[C@H](NC(=O)C[C@H](c1ccc(F)c(C)c1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866768820 YIKDXYJCXZIRNY-UPVQGACJSA-N 437.559 5.449 30 10 IKEE C[C@@H]1Cc2ccccc2N(c2cc(Nc3cccc(C#N)c3)nc(-c3ccc(F)cc3)n2)C1 1868445745 UWVZSRAFWWMQCD-GOSISDBHSA-N 435.506 6.228 30 10 IKEE N#Cc1nnn(-c2ccc(N3CCCCC3)cc2)c1NC(=O)c1ccccc1-c1ccccc1 1870146641 BEHNZHSCBWLVHC-UHFFFAOYSA-N 448.530 5.049 30 10 IKEE CCCCc1ccc(-n2nnc(C#N)c2NC(=O)[C@@H](Cc2ccccc2)c2ccccc2)cc1 1870147776 HCMLBEYILHSQKW-VWLOTQADSA-N 449.558 5.447 30 10 IKEE C=CCOc1cn(CCCCCCCCCC)c(CN(CCCC)CCCC)cc1=O 1870387157 SBLXHZRDULIXRF-UHFFFAOYSA-N 432.693 6.956 30 10 IKEE CCCCCCCOc1cn(CCN(CC)CC)c(CN2C[C@@H](C)C[C@H](C)C2)cc1=O 1870411934 RWOCEZIAWPKURE-GOTSBHOMSA-N 433.681 5.017 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCCc2ccccc2)cn1Cc1ccccc1F 1870685583 CAWJCEAGZJAUNF-UHFFFAOYSA-N 446.566 5.221 30 10 IKEE CCCCCCCCCCn1cc(OCC)c(=O)cc1CNc1cccc(C(C)(C)C)c1 1870784980 IUMYJKNZCLGIDM-UHFFFAOYSA-N 440.672 7.297 30 10 IKEE C=CCOc1cn(CCc2c[nH]c3ccccc23)c(CNc2ccc(CC)cc2)cc1=O 1870809336 WXABJFNCAHNFER-UHFFFAOYSA-N 427.548 5.312 30 10 IKEE C=CCn1cc(OCCOc2cccc(C)c2)c(=O)cc1CNc1cc(Cl)ccc1C 1871209497 IZXOJXOAFFIUIL-UHFFFAOYSA-N 438.955 5.374 30 10 IKEE Cc1cc(OC(=O)c2ccc(-n3cccc3)cc2)cc2c1C(=O)/C(=C/c1cccc(F)c1)O2 1871384555 XWZUGUWHZWWGEK-IWIPYMOSSA-N 439.442 5.760 30 10 IKEE Cc1cc(O)c(CN2C[C@H](C)C[C@@H](C)C2)c2c1C(=O)/C(=C/c1c(F)cccc1Cl)O2 1871396792 VTIJSDRIDLNVCP-RYXVLCDZSA-N 429.919 5.587 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871409079 WUDXOHSLCQHYTB-PGECNJAHSA-N 447.918 5.979 30 10 IKEE CC(C)(C)c1ccc(/C=C2\Oc3cc(OCCOc4ccc(Cl)cc4)ccc3C2=O)cc1 1871412889 JYPJFEIZAJEIKB-XYGWBWBKSA-N 448.946 6.712 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(F)c(F)c2)ccc2c1O/C(=C\c1ccccc1F)C2=O 1871442928 GBJTUUVKIFWIQC-FBHDLOMBSA-N 439.389 5.046 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2C)C3=O)c1 1871460607 VSVDAODLXWADIR-CFRMEGHHSA-N 427.500 5.554 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(C(C)C)cc2)[nH]c(N2CCCCCC2)n1 1871505165 SNLNTVCCXOIGAL-UHFFFAOYSA-N 438.664 6.313 30 10 IKEE CCCCCCCCCCN=c1nc(N(CC)CCCC)[nH]c(=Nc2ccccc2)[nH]1 1871601477 IJJNMJHGSICEBP-UHFFFAOYSA-N 426.653 5.638 30 10 IKEE N#C[C@@H](C(=O)c1ccc(-c2ccccc2)cc1)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872760744 XCNNQWCNDCNIHU-VWLOTQADSA-N 434.564 6.846 30 10 IKEE N#C[C@H](C(=O)COc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872769247 NFLFXACVOSPZFZ-CQSZACIVSA-N 437.735 6.026 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(CCC)cc3)n2)cc1 1872769912 CTJHLRZRRFIUOT-QFIPXVFZSA-N 434.561 5.807 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(F)cc3F)n2)c2ccccc12 1872787652 OQNVSKQPEABLHI-IBGZPJMESA-N 434.467 5.669 30 10 IKEE CCCCCCCCN1C(=O)C(NC2CCCCC2)=C(c2ccc(OCCC)cc2)C1=O 1873144666 MWZSUWFMYNSALK-UHFFFAOYSA-N 440.628 5.838 30 10 IKEE CCCCCCCCNC(=O)c1cc2c(N3CCC[C@H](C)C3)ncnc2n1CCCC 1873580746 HJQMQUHVBDHOHX-FQEVSTJZSA-N 427.637 5.558 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C(C)C)cc2)cc2c(N3C[C@H](C)C[C@@H](C)C3)ncnc21 1873666955 YSOMOZLLKBMCHJ-RTBURBONSA-N 431.584 5.475 30 10 IKEE COc1ccccc1/C=N/n1c(CCCOc2ccc3ccccc3c2)nnc1SC 1874197932 HEXSMLQPOFOQIH-KOEQRZSOSA-N 432.549 5.056 30 10 IKEE CCCOc1c(/C=N/n2c(CCc3ccccc3Cl)nnc2SC)cccc1OC 1874275796 HVRIZDIAJRUBEN-BUVRLJJBSA-N 444.988 5.118 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(OC)cc2)n1/N=C/c1ccc(C(C)C)cc1 1874292155 OXKUFJYCMBKJQS-AFUMVMLFSA-N 436.581 5.540 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1ccc(C(C)(C)C)cc1 1874327624 UXVOJQHIFMTHSA-JFLMPSFJSA-N 448.636 6.322 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccc(F)cc2)c1 1874416220 FEIOKNPVGWKQFM-CVKSISIWSA-N 432.524 5.197 30 10 IKEE Fc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2F)c(F)c1 1874416742 GAULEMAYOYMLHB-MZJWZYIUSA-N 438.478 5.461 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2[C@H]2CCCO2)cc1 1874451276 VQHMOLVBCKOLBT-PFRKPPGBSA-N 441.000 6.081 30 10 IKEE Cc1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2c(Cl)cccc2Cl)cc1 1874451486 ATGHQNKGRPFKET-DHRITJCHSA-N 445.419 6.725 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2ccc(F)cc2)cc1 1874454121 BESACOBGJOLEJZ-YDZHTSKRSA-N 425.489 5.158 30 10 IKEE O=[N+]([O-])c1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2)nnc1C1CCCC1 1874457360 MORWKPQXZHTUTK-YDZHTSKRSA-N 441.944 5.672 30 10 IKEE COc1cc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C(C)(C)C)ccc1O 1874485241 KWYKSJOQMPAUSO-CVKSISIWSA-N 446.576 5.618 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(O)c(OCC)c1 1874509832 XQIQBPBLFJKREJ-WYMPLXKRSA-N 448.951 5.302 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cc(Cl)ccc2OCc2cccc3ccccc23)c1 1874580446 OKOCWFUBRVHMBP-WYMLVPIESA-N 426.943 7.585 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCCO)cc1 1874584561 UXRIEKWGXUGKBX-JLHYYAGUSA-N 446.971 5.965 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cc(C)ccc3C)c(Cl)c2)cc1 1874609385 OHLHXUOYXFADBR-WUXMJOGZSA-N 449.934 5.879 30 10 IKEE O=C(/C=C/c1ccc(OCCc2ccccc2)c(Br)c1)c1ccc(F)c(F)c1 1874625957 FHWWRPVLQZPQHB-UXBLZVDNSA-N 443.287 6.245 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(Cl)cc3)c2)cc1C 1874696233 OADZYEKMACQASD-NYYWCZLTSA-N 436.891 5.781 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2Cl)c(Cl)c1)c1ccccc1Cl 1875113326 FBPZAYKCIUMYQL-PKNBQFBNSA-N 431.702 6.762 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1cccc(OC)c1 1875115898 AHXOMFYETKNXNN-NTUHNPAUSA-N 447.443 5.117 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(F)c(F)c1F 1875123243 YMYPVTNMXWBIQD-WEVVVXLNSA-N 446.808 5.881 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1 1875123326 GUAQBAIKPONRFJ-RIYZIHGNSA-N 425.311 6.428 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1 1875123593 UMNDQNBEDZLZLT-DTQAZKPQSA-N 426.899 6.537 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Br)c1OC(=O)C1CC1 1875133593 CBEARAAHICDALN-UXBLZVDNSA-N 443.337 5.676 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(OC)c1OC(=O)[C@@H]1CCCO1 1875154699 RSQZIBZOXZJLSZ-MIFWMJNYSA-N 442.511 5.557 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3ccccc3)cc2)cc1 1875156326 UOWLORGCZSUHJU-XDHOZWIPSA-N 428.528 6.471 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3)c(Cl)c2)c(C)c1C 1875167541 GRMPQKUUALQABK-FMIVXFBMSA-N 434.919 6.010 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(-n4cccc4)cc3)cc2)c1C 1875168619 MSLJBVZRJJZDFN-CXUHLZMHSA-N 449.550 6.826 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1cncc(C)c1 1875170149 JQWVWSJLCOOGPN-CSKARUKUSA-N 443.543 6.138 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)C3CCCC3)c(Cl)c2)c(OCC)c1 1875177684 ROLPJTSIBYLVQN-UKTHLTGXSA-N 442.939 6.129 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)c1cnc(C)cn1 1875190374 HDZDTXMXNSNFDA-XVNBXDOJSA-N 443.286 5.216 30 10 IKEE C=C(CC)C[C@H](NCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875653308 YLETWRIVPLHTGC-LITSAYRRSA-N 445.603 6.212 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(OC)c4ccccc34)ccc21 1891191742 PZGSTVVQFFNNGN-UHFFFAOYSA-N 430.504 5.038 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCCC)c2ccc(Br)cc2F)C1 1892695312 NICMCHXPMKIMGV-KRWDZBQOSA-N 427.358 5.242 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1944559449 RFONAEDGTNYOAV-GAJHUEQPSA-N 449.617 5.462 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1944587231 BITFQKHCNYDTNF-QMHKHESXSA-N 449.979 5.669 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@]1(C#N)CC[C@@H]1NC(=O)OCc1ccccc1 1959030385 LDQGSBYIANOMAD-OFVILXPXSA-N 441.572 5.297 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@](C)(C#N)[C@@]1(C)CCN1C(=O)OC(C)(C)C 1978218117 KJOGKDPFVOFKBL-FGZHOGPDSA-N 435.590 5.167 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C2(CC2)C1 2013257379 WHEBDEFEUPDRNV-HSZRJFAPSA-N 447.601 5.169 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C12CC2 2016356735 MHFVLKOTQVDIRH-DEOSSOPVSA-N 433.593 5.382 30 10 IKEE CCCCCCCCCC[C@@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NC 2035468816 VOZHMKMFTWMSFD-DQEYMECFSA-N 448.692 6.605 30 10 IKEE CC[C@H](c1ccc(C)c(F)c1)n1nc(C(C)(C)C)c(C#N)c1I 2078984544 VEBQMTBTFBOCSI-OAHLLOKOSA-N 425.289 5.104 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]([C@@](C)(C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 2082166092 OFZUDIOJEYUXOW-OSWQYVSFSA-N 449.636 5.922 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCC(C)(C)C[C@@H]1OCc1ccccc1 2105752294 VOMOKVVXDLLFIM-RBJSKKJNSA-N 448.607 6.794 30 10 IKEE N#Cc1c(F)cccc1NCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134727296 FSRQIEYCVDYVOX-UHFFFAOYSA-N 438.502 6.467 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1ccc2[nH]ccc2c1 2145030995 ZRAAJZRDWOEVQD-IBGZPJMESA-N 426.314 5.937 30 10 IKEE CC1(C)C[C@H](Nc2ccc(C#N)c(Br)c2F)CCN(C(=O)OC(C)(C)C)C1 2162389560 MLUMAPYCXQDJPE-CQSZACIVSA-N 440.357 5.297 30 10 IKEE COc1cc(Br)ccc1[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2165551707 QFWSDJMGXWIMRH-SFHVURJKSA-N 437.378 5.982 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(CCCNc2ccc(C#N)cc2Br)cn1 2169161522 FDRWSVWUYQBVNM-UHFFFAOYSA-N 431.334 5.107 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](CNc2cc(Br)cc(C#N)c2)CC12CCC2 2176864056 YHHJHUFNFSGWDH-HNNXBMFYSA-N 434.378 5.302 30 10 IKEE C=C[C@@](N)(c1sc(Br)c(Br)c1Br)C(C)(C)C 2212191570 LHPYWBMNWVLHJL-LLVKDONJSA-N 432.019 5.422 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Br)cc1Cl 2222752639 VVNUVFHTYSKZFJ-SJORKVTESA-N 431.802 5.613 30 10 IKEE C=CCCC[C@H](NCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229119310 BRRBYQKJSXMIOX-OALUTQOASA-N 425.411 5.219 30 10 IKEE C=CCCCCC[C@H](NC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237429238 ZLKUUOSWIWVNKZ-VQTJNVASSA-N 439.438 5.609 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cccc(Cl)c1Br 2259408807 UHKIMGQTGVKBRH-NVXWUHKLSA-N 429.786 5.060 30 10 IKEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)C1CCCCC1 2267601307 SSXHAANCLGGHIF-UHFFFAOYSA-N 433.401 5.269 30 10 IKEE C#CC(C)(C)C[C@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2276676620 KPOIDPYUUYSVLP-NDEPHWFRSA-N 443.587 5.911 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCC)c2cc(Br)cc(C(C)C)c2)C1 2280712150 XRUFRRRLWOIJQJ-LJQANCHMSA-N 437.422 5.837 30 10 IKEE CCN(CC)C(=O)c1sc(NC(=O)C=Cc2ccc(Cl)cc2Cl)c(C#N)c1C 2294930955 VZCGBAQSCIXZDI-UHFFFAOYSA-N 436.364 5.369 30 10 IKEE Cc1ccc(NC=C2SC(=Nc3cccc(C(F)(F)F)c3)N(C)C2=O)cc1Cl 2295213186 RYOWGNWBHJOJCO-UHFFFAOYSA-N 425.863 5.813 30 10 IKEE CN[C@@H](C#Cc1cccc(Br)c1)c1cc(F)ccc1NC(=O)OC(C)(C)C 2296285899 GEHISKRDFZTVAZ-SFHVURJKSA-N 433.321 5.247 30 10 IKEE O=C(C=Cc1ccc(OC(F)F)cc1)Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F 2297111384 MZMAPWJHFMTTRP-UHFFFAOYSA-N 429.238 5.515 30 10 IKEE COc1ccc(C=CC(=O)c2cccs2)cc1Cn1nc(C)c(Br)c1C 2297509660 RSVSSLWPCYJYAK-UHFFFAOYSA-N 431.355 5.277 30 10 IKEE O=C(C=Cc1c(Cl)cccc1Cl)c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 2314429984 TUMAFCJHROUQQV-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE N#Cc1nc(-c2ccccc2)oc1NN=Cc1c(OCc2ccccc2)ccc2ccccc12 2320833977 OZPLEYSDXPEXBJ-UHFFFAOYSA-N 444.494 6.391 30 10 IKEE Cc1ccc(C)c(COc2cc(C)c3c(c2)OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)c1 2321759882 DFUVPRIWZXDDCQ-UHFFFAOYSA-N 426.556 7.105 30 10 IKEE Cc1ccccc1CSc1nnc(C)n1N=Cc1ccc(-c2ccc(C(=O)O)cc2)o1 2321762200 GKMLHJPKAMQBBS-UHFFFAOYSA-N 432.505 5.028 30 10 IKEE Cc1cc(OCc2c(Cl)cccc2Cl)cc2c1C(=O)C(=Cc1cccc(F)c1)O2 2321774169 SUXGZQQWTTWRDS-UHFFFAOYSA-N 429.274 6.636 30 10 IKEE O=C1C(=Cc2ccccc2F)Oc2c1ccc1c2CN(CCc2ccc(Cl)cc2)CO1 2321928049 QUWFYXWCXQOOHC-UHFFFAOYSA-N 435.882 5.490 30 10 IKEE O=C1C(=Cc2ccccc2Cl)Oc2c1ccc1c2CN(CCc2ccc(F)cc2)CO1 2321935044 VJVKIFOYFYENJL-UHFFFAOYSA-N 435.882 5.490 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(C(C)C)cc1)O3)CN(CCCn1ccnc1)CO2 2322106995 AIQXKDRLAOCDJN-UHFFFAOYSA-N 443.547 5.173 30 10 IKEE Cc1cc(OCc2nnc(S)n2N=Cc2cccc(OC(C)C)c2)cc(C)c1Cl 2322234467 APXDKYNXDNVQIZ-UHFFFAOYSA-N 430.961 5.085 30 10 IKEE Cc1ccc(NC(=O)COc2ccccc2C=CC(=O)c2ccc3c(c2)CCCC3)c(C)c1 2322328573 XOUKNVZGLDEPAW-UHFFFAOYSA-N 439.555 6.096 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc3ccccc3c2C=CC(=O)c2ccccc2)c1 2322545578 FLVPUFPOXGFVQH-UHFFFAOYSA-N 435.523 6.370 30 10 IKEE Cc1ccc(-n2ncc(NN=Cc3cccc(Oc4ccccc4)c3)c(Cl)c2=O)cc1 2322586140 VOWGRQJDZZUTIK-UHFFFAOYSA-N 430.895 5.433 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccccc1OC(F)F)C2=O)c1cc2ccccc2o1 2322842647 DVIOXYJLXICXTQ-UHFFFAOYSA-N 448.377 5.870 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)ccc1OCC(=O)Nc1ccc(C)cc1 2323627233 ZZSLUVFXTOSLIO-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE CCCCCCCCN1C(=O)C(=Cc2ccc(Br)cc2F)SC1=S 2323720560 JNZRFVPWSMKOCA-UHFFFAOYSA-N 430.408 6.150 30 10 IKEE CCc1ccc(NC(=O)COc2c(Cl)cc(C=CC(=O)c3ccccc3)cc2OC)cc1 2323802870 YQWINQSGXXRLND-UHFFFAOYSA-N 449.934 5.825 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C)cc2)C3=O)c1 2323890260 DEZQVTUINKXQLH-UHFFFAOYSA-N 442.467 5.454 30 10 IKEE CCc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(OC(C)=O)c(OC)c3)n2)cc1 2324378455 HYHBVFULWQAGLZ-HXUWFJFHSA-N 446.528 5.196 30 10 IKEE C=CCc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OCc1cccc(F)c1 2324567728 RNNLKFUJNFYFTC-UHFFFAOYSA-N 444.546 6.963 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@H](C#N)C(=O)C=Cc2ccccc2Cl)n1 2324847630 JAECUMFKCABZOK-MRXNPFEDSA-N 429.328 6.015 30 10 IKEE CCCOC(=O)COc1ccc2c(c1C)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2324879355 FTYVXSXLCPCLBS-UHFFFAOYSA-N 428.484 5.610 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4c(C)cccc4C(C)C)ccc3C2=O)o1 2324989863 JLQMBWLNRZLNSV-UHFFFAOYSA-N 431.488 5.654 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(CC)cc1 2325571527 TZIQUSXWWAWSET-UHFFFAOYSA-N 433.408 6.274 30 10 IKEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1c(Cl)cccc1Cl 2325642656 DMUBJRFDZNLORD-UHFFFAOYSA-N 446.190 6.375 30 10 IKEE CCOc1cccc(C(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)CCCC4)c2)c1 2325702189 FGHNPQIAMBIHCX-UHFFFAOYSA-N 426.512 6.079 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1OC(=O)COCc1ccccc1 2325729687 BYZKSHWXYAHNAC-UHFFFAOYSA-N 436.891 5.367 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cc(Cl)ccc3OC)c2)cc1 2325734696 ZKKVCNKUUKGLIM-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1OC(=O)c1cnc(C)cn1 2325745959 UPUATJZYKNPBKL-UHFFFAOYSA-N 430.504 5.206 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OC(=O)Cc1ccc(F)c(C)c1 2325759727 UIXJFWSFVNEHIL-UHFFFAOYSA-N 432.491 5.804 30 10 IKEE CCCSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1cccc(F)c1 2325961306 DTIYWZDWCPYZJY-UHFFFAOYSA-N 433.350 5.155 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1cccc(Cl)c1Cl 2326458385 NAOBGHZUWUGSOF-UHFFFAOYSA-N 447.435 6.719 30 10 IKEE CCCCc1nnc(SCc2ccc(Br)cc2)n1N=Cc1ccc(F)cc1 2326625501 ANLXSPFKGZJMSL-UHFFFAOYSA-N 447.377 5.697 30 10 IKEE Cc1ccc(OCCCc2nnc(SCc3ccccc3C)n2N=Cc2ccc[nH]2)cc1 2327154002 DILJFRKWPYJBTE-UHFFFAOYSA-N 445.592 5.409 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1cccc(Cl)c1 2328790135 KFCWXBUKYMVWLX-UHFFFAOYSA-N 426.973 5.678 30 10 IKEE CCCSc1nnc(COc2cccc(C)c2C)n1N=Cc1ccc(C(F)(F)F)cc1 2328858220 OZJPCBNKDZHCCD-UHFFFAOYSA-N 448.514 5.877 30 10 IKEE Cc1ccccc1C=Nn1c(CCOc2ccccc2)nnc1SCc1ccccc1C 2329159145 KAGYUMVPSMQZMB-UHFFFAOYSA-N 442.588 5.691 30 10 IKEE Cc1cccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2-c2ccccc2Cl)c1 2329576904 JMZBTBUZVCNHMK-UHFFFAOYSA-N 447.007 6.698 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCCc2ccccc2)n1N=Cc1ccccc1F 2330115258 VBMQVVPHIPGPMH-LJQANCHMSA-N 430.552 5.786 30 10 IKEE Clc1ccc(CSc2nnc(-c3cccs3)n2N=Cc2ccccc2)cc1Cl 2330609303 WKGHEPIJWSTPKV-UHFFFAOYSA-N 445.400 6.488 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(-c3ccccc3)cc2)cc1)c1cccc([N+](=O)[O-])c1 2330620597 YNOUNPGGNJYALG-UHFFFAOYSA-N 449.462 6.377 30 10 IKEE Clc1cccc(C=Nn2c(SCc3ccccc3Cl)nnc2-c2ccccc2)c1 2330675049 YAGIEKGEWJNPCR-UHFFFAOYSA-N 439.371 6.426 30 10 IKEE O=C(COc1ccc(Cl)cc1)Oc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1 2330678596 WXOKJLLUENIBJS-UHFFFAOYSA-N 446.930 6.099 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(CCCC)cc2)cc(OC)c1OC(=O)[C@@H]1CCCO1 2330845727 YLSYKEFGZUCFPS-VWLOTQADSA-N 448.559 5.747 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3F)c(OC)c2)cc1 2330846587 PNPRTXYMLXSVKP-UHFFFAOYSA-N 446.518 6.221 30 10 IKEE C=CCSc1nnc(C(F)(F)F)n1N=Cc1ccc(OCc2ccc(C)cc2)cc1 2331143876 AWLNQXAXHVMCJI-UHFFFAOYSA-N 432.471 5.345 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(-c4ccccc4)cc3)cc2)c(C)c1 2331216063 XYIIWIZXLFBJRX-UHFFFAOYSA-N 432.519 7.086 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(-n2cccc2)cc1 2331293492 RLSVOKKCVCCZPW-UHFFFAOYSA-N 437.495 5.910 30 10 IKEE COc1cc(C=Nn2c(SCCc3ccccc3)nnc2C(C)(C)C)cc(Cl)c1O 2331398330 IDRNYCGWDWOYEY-UHFFFAOYSA-N 444.988 5.160 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2Cl)c1 2331521015 YCSAURDYBMQNOO-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC 2331571671 UVDDLOROTUQQNC-UHFFFAOYSA-N 444.955 6.391 30 10 IKEE CC(C)c1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1ccc(C(C)(C)C)cc1 2331703745 YGGJDDYARPFMLS-UHFFFAOYSA-N 441.645 5.122 30 10 IKEE COc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C(C)C)cc1O 2331705862 WEDLAUSAZSZKLF-UHFFFAOYSA-N 432.549 5.443 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3cc(Cl)ccc3OC)cc2)cc1 2331875062 DVRSMSOVTLMXPW-UHFFFAOYSA-N 448.946 6.345 30 10 IKEE CO[C@@]1(C)C[C@H]2C[C@@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2356215400 GMXXBEKTNRBMBK-SORVUCRQSA-N 435.362 5.288 30 10 IKEE CN[C@H](C#Cc1ccccc1Br)c1ccc(NC(=O)OC(C)(C)C)cc1F 2361082038 PCHPFNXFXZJNBZ-LJQANCHMSA-N 433.321 5.247 30 10 IKEE N#C[C@H](C(=O)c1csc(Br)c1Br)c1ccc(Cl)c(F)c1 2362148092 XWJQDYVGXOUGNL-ZETCQYMHSA-N 437.515 5.556 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(C)cc(C)cc1C)N2 14457850 OQSPCMZGJHCODQ-OBTVHEKISA-N 448.632 5.801 30 10 IKEE COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccc(OC)c2)C3)cc1 20882776 KSKBAHASPASGNT-XHCCPWGMSA-N 426.516 5.683 30 10 IKEE COc1cc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)cc2)ccc1OC(C)C 20885273 RPFKJBOOWOXXLI-MJGOQNOKSA-N 439.939 5.140 30 10 IKEE COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2)c1 21238214 SKIMPLFTDAXXHF-MYUZEXMDSA-N 426.516 5.683 30 10 IKEE COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)cc1OC 21249529 ITWBWAOUNDDYKG-DNOBIOAJSA-N 444.506 5.822 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(F)c2)cc1 21252123 IEZURXSMVYEDMV-XHCCPWGMSA-N 428.507 6.204 30 10 IKEE CC(C)(C)c1ccc(/C=C2\Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc3C2=O)cc1 33351264 IOEFMRQGTYEGSP-UCQKPKSFSA-N 443.455 5.728 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(Cl)c(Cl)c2)C3=O)cc1 33367717 APRPNAYTNBBWEF-NHDPSOOVSA-N 441.266 5.837 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)/C=C\c3ccccc3)c(OC)c2)c1 34955179 MDPGCHAZVFWNBH-UMLJMYBXSA-N 444.483 5.227 30 10 IKEE C=CCOc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2Cc2ccco2)cc1 39840092 TVFGJNXZWWIJRD-XMMPIXPASA-N 441.483 5.313 30 10 IKEE Cc1c(/N=N/c2cccc(C(F)(F)F)c2)c(O)n(CCc2ccccc2)c(=O)c1C#N 39871491 HECMHKLLJYMRRE-BYYHNAKLSA-N 426.398 5.411 30 10 IKEE O=C1N/C(=N\N=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)S[C@@H]1Cc1ccccc1 39887864 XKKISRDNRPYTOB-KXQYEYADSA-N 443.450 5.130 30 10 IKEE CNC(=O)c1c(Nc2ccc(C)cc2)sc2c(-c3ccc(Cl)cc3)c(C#N)c(N)nc12 39895254 HHSCEQUKUAPFFE-UHFFFAOYSA-N 447.951 5.482 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCc4ccccc4C)cc(C)c3C2=O)c(OC)c1OC 41433128 DVRHKVAFEIEBSP-QRVIBDJDSA-N 446.499 5.524 30 10 IKEE COc1ccc(CCN2COc3c(cc4c(c3C)O/C(=C\c3cccc(F)c3)C4=O)C2)cc1 41587670 PIAIFXASVRJZJJ-CFRMEGHHSA-N 445.490 5.154 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc4c3CN(CCCc3ccccc3)CO4)C2=O)cc1 41655994 ZMRKWQQHPNLLIU-ONUIUJJFSA-N 441.527 5.486 30 10 IKEE COc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1Cl 59536014 GTTVBTMZHRGZEK-WYMPLXKRSA-N 446.290 5.935 30 10 IKEE O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1ccc(-c3ccccc3)cc1)c1c(O)n[nH]c1N2 98036773 SLQSBFMATHCORO-XMSQKQJNSA-N 439.540 5.802 30 10 IKEE CCCCCCCOc1cccc(NC(=O)COc2ccc(Br)c(C)c2)c1 100246140 YNZRXMZYDNBYJZ-UHFFFAOYSA-N 434.374 6.124 30 10 IKEE CCCCCCCCCn1c([C@H](C)c2ccc3cc(OC)ccc3c2)nc2ccccc21 101041816 XJNPIEBYHBDKRL-JOCHJYFZSA-N 428.620 8.101 30 10 IKEE CCCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCN(C)C3 101141198 XFLLJJZIAOIQGV-UHFFFAOYSA-N 427.639 5.498 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(Nc2cc(C)ccn2)c1N 101505438 VEHFESFGORJQBF-UHFFFAOYSA-N 440.680 7.399 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2nonc2-c2cc(CC)ccc2CC)cc1 101912075 VJTQMCHFNPWZTJ-UHFFFAOYSA-N 435.568 6.463 30 10 IKEE CCCCCCCC/N=C\c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 102943877 IDWFOMRWRJQNSK-QGKQGQFYSA-N 437.631 7.822 30 10 IKEE Cc1ccccc1-c1cc(C(=O)N[C@H](C#N)c2ccc(F)cc2F)c2cnn(C(C)C)c2n1 111030249 LUAIEQRSDHFWNY-HSZRJFAPSA-N 445.473 5.261 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccc(C)cc2C)cc1 169925687 HLDOVOFGLGDKJR-RUZDIDTESA-N 441.527 5.712 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2cccc(C)c2C)c1 169933889 KWSZUNPTUIPAGU-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(C)c2)c1 169966508 QJJNZBVDQKRSRN-QHCPKHFHSA-N 431.463 5.316 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]2c2ccccn2)c1 169996412 BHSRQJFXSJFADK-JOCHJYFZSA-N 432.907 5.443 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccccc2)cc1 170032856 AXIPJYBUUFGXKF-NRFANRHFSA-N 448.544 5.332 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccccc2)c1 170047471 STGVOJZCIIBLFG-XMMPIXPASA-N 427.500 5.485 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccc(F)cc2)ccc1F 170063211 GGNWIGLUFJLFGM-OAQYLSRUSA-N 439.845 5.710 30 10 IKEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4cccc5ccccc45)[C@@H]3c3ccco3)nc2c1 170098498 WNTFQARDVGKUIC-QHCPKHFHSA-N 449.466 5.400 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1C1CCCCC1 170123673 UANFKCWJYMUIIJ-DEOSSOPVSA-N 449.547 5.393 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(C)c2)ccc1Cl 170148417 YCCZVMUEUBWFAE-OAQYLSRUSA-N 425.912 5.178 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C2CCCC2)c1 170148589 UCULPFRHYDIZDO-HXUWFJFHSA-N 430.331 5.823 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1cccc(OC(C)C)c1 170153213 RTQLLQHYEGPWHE-QHCPKHFHSA-N 437.536 5.169 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccn2)cc1C(C)C 170176224 IFYLCHKLZHHUPR-DEOSSOPVSA-N 442.515 5.305 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccncc2)c1 170202923 UWHWSDDOQNIOTP-XMMPIXPASA-N 442.515 5.270 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccncc2)c1 170203087 VGZHFNFSMVSADB-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2)cc1C(C)C 170227140 HPKKYHSAVJZGIP-VWLOTQADSA-N 441.527 5.910 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccccc1C 170272520 OJHQXEOQVLLOOI-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1ccc(C#N)cc1 170272811 YLJNNTHWYJDIOX-QFIPXVFZSA-N 428.875 5.303 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccco2)cc1 170282040 UBNVTTOQGCDYDL-NRFANRHFSA-N 439.414 5.128 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(C)o2)cc1 170303943 MSDSPDHHTFYWFL-MWTRTKDXSA-N 429.472 5.003 30 10 IKEE COc1ccc(Br)c(C=Nc2cccc(NC(=O)c3ccccc3)c2)c1O 252640675 YWIDBSWEKJUWMH-UHFFFAOYSA-N 425.282 5.166 30 10 IKEE Cc1sc(NN=Cc2ccc(OS(=O)(=O)c3ccccc3)cc2)nc1-c1ccccc1 254290379 AINQIZUMLZNOCJ-UHFFFAOYSA-N 449.557 5.332 30 10 IKEE O=C(NC1CCCCC1)c1c(N=Cc2cc([N+](=O)[O-])ccc2O)sc2c1CCCC2 254484322 JUEDOQUYRKQPSB-UHFFFAOYSA-N 427.526 5.054 30 10 IKEE CSc1nnc(-c2ccco2)n1N=Cc1ccc(COc2cccc(Cl)c2Cl)o1 254706416 TYYOVFDOHCBDFF-UHFFFAOYSA-N 449.319 5.621 30 10 IKEE CN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)SC1=Nc1ccc(C(=O)O)cc1 254847235 WPBUVAKQMYQRSP-XKEFNESHSA-N 444.512 5.198 30 10 IKEE Fc1ccccc1C=Nc1ccc(-c2nc3ccc(N=Cc4ccccc4F)cc3o2)cc1 254855187 URKJXCIMINMBRJ-UHFFFAOYSA-N 437.449 7.274 30 10 IKEE C=C(CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3)C(C)C 257621334 XJLZCPIILZRCPS-GWELICEYSA-N 440.756 8.725 30 10 IKEE biogenic CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@H]1Nc1cc(Br)ccc1C#N 312185521 IAFYFFBKFJZKKM-ZHALLVOQSA-N 434.378 5.301 30 10 IKEE C=CCN(C[C@H](Cc1ccc(Br)cc1Cl)NCCC)C(=O)OC(C)(C)C 406262363 JSCHFBKICPJLBW-KRWDZBQOSA-N 445.829 5.436 30 10 IKEE Cc1ccc([C@H]2C(c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)o1 526488400 NPTKXGLPHPHIQM-DEOSSOPVSA-N 428.488 5.552 30 10 IKEE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@@H]1c1sccc1C 526492440 XSTQPWDFZJRINA-NRFANRHFSA-N 446.528 5.393 30 10 IKEE COc1cccc([C@H]2C(c3cccc4ccccc34)=C(O)C(=O)N2c2ccccc2C#N)c1 526611220 TVGXFUHYDMJBFH-SANMLTNESA-N 432.479 5.777 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1/N=C\c1cn(CC)c2ccccc12 526803920 VRBXWLQIRJYPOW-YSMPRRRNSA-N 435.572 5.909 30 10 IKEE CCOc1ccc(/C=N\n2c(CC)nnc2SCc2c(Cl)cccc2Cl)cc1 526813679 BHQPVZBAOSTZMD-FMCGGJTJSA-N 435.380 5.721 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1ccc(OCC(C)C)cc1 526819598 YVCVMIMPFQUDBD-YSMPRRRNSA-N 436.625 6.057 30 10 IKEE CCOc1cccc(/C=N\n2c(CC)nnc2SCc2ccc(Cl)cc2Cl)c1 526823932 BFBXQXXRJKCCLT-FMCGGJTJSA-N 435.380 5.721 30 10 IKEE C=CCN(CC=C)C(=O)Nc1ccc(C(=O)Nc2ccc(Br)cc2C)cc1 586661701 ITLXLFFPALSPSG-UHFFFAOYSA-N 428.330 5.216 30 10 IKEE CC1=C(/C=C/C(C)=C\C=C\C(C)=C\C=NNc2nc3ccccc3s2)C(C)(C)CCC1 606375480 KCMAPBCFQUECSB-ITMDZEMKSA-N 431.649 8.226 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCCc2sccc21 698458585 TZQDQDZEVWCWCH-HXUWFJFHSA-N 433.371 6.007 30 10 IKEE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@H](C#N)c1cc(Cl)ccc1Br 698469139 GCRSFTQIMWZVHL-XJKSGUPXSA-N 429.742 5.083 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@H](C#N)c1cc(Br)ccc1Cl 698831731 NYFJDEHLLBLKTH-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1cccc(Br)c1Cl 706513729 ZKXOUZOTOZLOMN-QGZVFWFLSA-N 435.749 6.417 30 10 IKEE C=CCSc1nc2ccc(N=Cc3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2s1 1083935428 NXKNGGWRJSUNSA-UHFFFAOYSA-N 440.550 5.070 30 10 IKEE CN(CN1C(=O)C(=Nc2ccc(Cc3ccncc3)cc2)c2ccccc21)C1CCCCC1 1084113841 BVRDLGDXCITJQN-UHFFFAOYSA-N 438.575 5.362 30 10 IKEE Clc1ccc(CSc2n[nH]c(NN=Cc3ccccc3OCc3ccccc3)n2)cc1 1084410629 PNMRGASAPVUCRP-UHFFFAOYSA-N 449.967 5.775 30 10 IKEE O=C(CSc1n[nH]c(NN=Cc2cccc3ccccc23)n1)C1C2CC3CC(C2)CC1C3 1084474218 LCGYOPGZWFNFGR-UHFFFAOYSA-N 445.592 5.137 30 10 IKEE C=C[C@H](C#N)[S@@](=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-] 1088673367 PXNZVPKXMNDCTM-BODITIBLSA-N 430.791 5.245 30 10 IKEE Cc1c(CO/N=C(\C[S@](C)=O)c2ccc3ccccc3c2)cccc1-c1ccccc1 1088695732 OYHKPVVMXCPYKY-PSAJCYFKSA-N 427.569 6.115 30 10 IKEE CCCC[Sn](C#C[Si](C)(C)C(C)(C)C)(CCCC)CCCC 1690168215 RWJZSEBIYYIYHQ-UHFFFAOYSA-N 429.353 7.426 30 10 IKEE CCN1C(=O)/C(=C\c2ccccc2OCc2ccc(C)cc2)SC1=Nc1nccs1 1772735847 ISSBHRZGXAYKKV-SKYIDQJDSA-N 435.574 5.654 30 10 IKEE N#Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)n(Cc3ccc(Cl)cc3)n2)cc1 1859387008 OQLPHMFMWQGQAE-UHFFFAOYSA-N 447.325 6.029 30 10 IKEE Cc1nc(-c2ccc(Br)cc2)ccc1C(=O)Nc1sc2c(c1C#N)CCC2 1859759634 NRQQCRAPEYAJSF-UHFFFAOYSA-N 438.350 5.494 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2)cc1)O/N=C1/CCN(Cc2ccccc2)C1 1860468857 VJFVXSLKQWTPHU-LBXBWTBPSA-N 426.516 5.084 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)COc1ccc(C)cc1C(C)(C)C 1861635884 YILYRJNGACBZPJ-QHCPKHFHSA-N 446.676 5.823 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2cccc(O)c2)cc1 1862390172 XBWUJWUQWCAZHC-UODBTFMRSA-N 447.575 5.892 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(F)cc1)c1ccccc1Cl 1862430219 FUUMVVCHLFYKJS-LJQANCHMSA-N 427.884 5.319 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(C(F)(F)F)cc1 1862444084 SVFRLYSIXIPGSJ-KPZWWZAWSA-N 437.845 5.736 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862450359 FRJGYFONTPEJMY-SFHVURJKSA-N 438.738 6.025 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C34CC5CC(CC(C5)C3)C4)[C@@H]2c2ccccc2)cc1 1862475022 BAWPYTQHOICJJX-RTUAHOQCSA-N 427.544 5.542 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccccc2C)cc1 1862475689 RZMHWJORMHDRKH-FQRUVTKNSA-N 439.555 6.205 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 1862477634 OGLGKQIHXIUONN-KBMIEXCESA-N 440.543 5.401 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCCCC2)c1 1862478177 AMCWRUIETVIAPP-XMMPIXPASA-N 433.548 5.695 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862516276 KRYKLIOBFVYILU-HSZRJFAPSA-N 432.520 5.191 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2cccc3ccccc23)cc1 1862531200 ILDOGWZXATZUMK-RUZDIDTESA-N 443.543 5.143 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1[C@H]1CCCC[C@H]1C 1862544499 FKCFOOSGZLLBRI-YZXAJQSBSA-N 443.587 6.031 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccccc1F 1862544522 FWUGNYZJMOZYAV-WQWSHVPRSA-N 447.550 5.862 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1c(F)cccc1Cl)c1cccc(O)c1 1862593774 XONJLHAPYDBZJX-LJQANCHMSA-N 443.883 5.025 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2ccccc2)cc1F 1862636547 JJRHNNMTGLAUBQ-XMMPIXPASA-N 445.490 5.045 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccccc2F)cc1 1862661760 GXLBXPGASFLYLE-RUZDIDTESA-N 449.566 6.640 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862669581 ZSDOBIHDKGRTKX-UUOWRZLLSA-N 435.564 5.976 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC2=CCCCC2)c1 1862674069 RXLQVLJLYDKVFC-QHCPKHFHSA-N 435.495 5.303 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@@H]2c2ccc(C)cc2)c1 1862698552 JUMSSNAWIPJREP-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862713192 JFDFOVFNDWHBAN-HRFSGMKKSA-N 447.534 6.488 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3cc(Cl)ccc3Cl)C2=O)cc1 1863013701 BGRFPVPXGLSCHB-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Br)cc2C(C)C)=C(c2ccccc2F)C1=O 1863303172 DBNIGMNJJOVNJF-UHFFFAOYSA-N 443.316 5.090 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(C)ccc2OC)=C(c2cccs2)C1=O 1863476094 XBJRHVGEIHGFTC-UHFFFAOYSA-N 426.582 5.618 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H](C)c2ccccc2)=C(c2ccccc2OC)C1=O 1863765204 OWVZZYLORWLLDH-HXUWFJFHSA-N 434.580 5.486 30 10 IKEE C=CCN(CC=C)c1cc(N2CC(C)(C)c3ccccc32)nc(-c2ccc(OCC)cc2)n1 1869331470 VMQBISZWTJXCLZ-UHFFFAOYSA-N 440.591 6.150 30 10 IKEE C=CCn1cc(OCCOc2cccc3ccccc23)c(=O)cc1CN(CCC)CCCC 1870593089 FSMJVLUUAYLCSS-UHFFFAOYSA-N 448.607 5.657 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)c(Cl)c2)c(=O)cc1CNc1ccc(C)cc1 1870825579 APVROWNTQMFSGN-UHFFFAOYSA-N 429.347 5.841 30 10 IKEE CCCCCCCOc1cn(CCCCC)c(CNc2ccc(OC)c(Cl)c2)cc1=O 1870837574 MYKOBBUWCCCODX-UHFFFAOYSA-N 449.035 6.662 30 10 IKEE C=CCn1cc(OCCCCCC)c(=O)cc1CNc1cccc(OCc2ccccc2)c1 1871124519 XZFDMEFFAYPXCB-UHFFFAOYSA-N 446.591 6.185 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3)ccc2C1=O 1871374724 BLEXBKSGRIUARY-HMSZGEISSA-N 432.859 5.584 30 10 IKEE Cc1c(OC(=O)CCOc2ccccc2)ccc2c1O/C(=C\c1ccc(N(C)C)cc1)C2=O 1871384111 QEQYWWHNMSREAO-ULJHMMPZSA-N 443.499 5.052 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(OC)cc2)C3=O)c1 1871388929 PPDTVLCHXSVJSU-IWIPYMOSSA-N 442.467 5.404 30 10 IKEE CCCCCCCCCCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccco1)C2=O 1871427088 MVZYKSVBSSYLJV-QJOMJCCJSA-N 426.509 5.959 30 10 IKEE COc1ccc(CCOc2ccc3c(c2)O/C(=C\c2ccccc2OC(F)F)C3=O)cc1 1871447675 BGPFOGZJHCNGLQ-UCQKPKSFSA-N 438.426 5.534 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(C(C)C)cc1)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1871851776 PBBLLWRYMCCAIX-WMZHIEFXSA-N 428.598 5.040 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(Cl)cc1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1871892668 QIZOJTZMRCCLLW-AVRDEDQJSA-N 449.016 5.269 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1ccccc1 1872302752 RQRLJJAXAQLUMT-JOCHJYFZSA-N 449.016 5.413 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)CCCC 1872497687 HDTSRDLNMIAYOV-HXUWFJFHSA-N 429.026 5.154 30 10 IKEE CCCCCCCCCCNC(=O)Cc1nonc1OCCCCOc1cccc(C)c1 1872648969 CBJSHLXCQZFIEY-UHFFFAOYSA-N 445.604 5.415 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3cc(C)c(Cl)c(C)c3)n2)cc1 1872764760 XIJXRDBEXKHGFF-SFHVURJKSA-N 426.925 5.344 30 10 IKEE N#C[C@@H](C(=O)/C(=C\c1ccccc1)c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 1872765993 ALSFVOOKVUKPJL-AMCKHAKVSA-N 440.955 6.881 30 10 IKEE N#C[C@H](C(=O)c1c(Cl)ccc(Cl)c1Cl)c1nc(-c2ccc(F)cc2F)cs1 1872767051 NGKFPFQLENMDLW-SNVBAGLBSA-N 443.689 6.539 30 10 IKEE N#C[C@@H](C(=O)c1cccc(Oc2ccccc2)c1)c1nc(-c2ccc3c(c2)OCO3)cs1 1872773203 KWLXOQMMDXTASB-FQEVSTJZSA-N 440.480 5.821 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)/C=C/c2cccc([N+](=O)[O-])c2)n1 1872786142 ZJSNXYJIFQGYDP-FKVRIVCVSA-N 445.544 6.214 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@@H](C#N)C(=O)c2cc(Cl)ccc2Cl)n1 1872788976 VTAPKJPQIBEPGS-AWEZNQCLSA-N 437.735 6.269 30 10 IKEE CCCCCCCCNC1=C(c2ccc(C)c(C)c2)C(=O)N(C2CCCCCCC2)C1=O 1873141359 VVIBJXPNXKELKN-UHFFFAOYSA-N 438.656 6.446 30 10 IKEE N#Cc1nc(-c2ccccc2)oc1N/N=C/c1c(O)ccc2cc(Br)ccc12 1873470831 RWRGKXITOZXKTD-WYMPLXKRSA-N 433.265 5.281 30 10 IKEE CCCCCCCCCCNC(=O)CCc1c(C)nc2c3c(F)cccc3nn2c1C 1873936313 DUFXJMAROQEHEQ-UHFFFAOYSA-N 426.580 5.828 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(COc3ccc(Cl)cc3)nnc2SC)cc1 1874262508 CLNNHJBBGAWEGG-BUVRLJJBSA-N 444.988 5.684 30 10 IKEE C=C(C)CSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(F)cc1F 1874269980 YMAVESURNFGJBN-MZJWZYIUSA-N 434.515 5.851 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2cccc(C)c2)cc1 1874349421 KUUJXDHIUSGXRX-YZSQISJMSA-N 428.561 5.360 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2F)n1/N=C/c1ccncc1 1874362775 WBQYUOPCVJKONY-JVWAILMASA-N 431.540 5.080 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(CCc2cccs2)n1/N=C/c1ccco1 1874372530 DZZOMJINBZMJCW-FSJBWODESA-N 446.960 5.685 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(C)c3)n2/N=C/c2cccc(F)c2)cc1 1874388209 ALDARGZMCWCPMI-JVWAILMASA-N 430.552 5.799 30 10 IKEE COc1ccccc1/C=N/n1c(CC2CCCCC2)nnc1SCc1ccc(F)cc1 1874406280 LRDWJWKSQJDJNI-WGOQTCKBSA-N 438.572 5.723 30 10 IKEE CC(C)COC(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1ccc(C(C)C)cc1 1874430717 UYTKTNPIAWDLBB-AFUMVMLFSA-N 436.581 5.242 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(C(C)C)cc1 1874479236 QAAIBEICZKKMAK-MTDXEUNCSA-N 442.632 7.072 30 10 IKEE Cc1ccc(CSc2nnc(CC(C)C)n2/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1874486577 ZNXZEDJRMVYVRL-FSJBWODESA-N 443.960 5.521 30 10 IKEE CC(C)Cc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(N(C)C)cc1 1874491462 SOCUVLQJHVEENG-ZVHZXABRSA-N 428.005 5.371 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(O)cc1 1874492225 FESWMGDUVMXGDJ-FOKLQQMPSA-N 435.380 5.664 30 10 IKEE C=CCSc1nnc(C2CCC2)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874496359 ICOABHYDWJKXNS-MFKUBSTISA-N 438.984 5.938 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CCC2)c(OC)c1 1874496732 BEAHLGQBOHOMHK-ZMOGYAJESA-N 442.972 5.391 30 10 IKEE CC(C)c1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1c[nH]c2ccccc12 1874515062 PHZQLMOHYVWSNZ-OPEKNORGSA-N 444.391 6.364 30 10 IKEE Cc1ccccc1CSc1nnc(C2CC2)n1/N=C/c1cc(Br)ccc1F 1874517809 MCLWTBLOAVPABL-FOKLQQMPSA-N 445.361 5.540 30 10 IKEE CCCCCOc1c(Br)cc(/C=N/n2cnnc2SCCC)cc1OC 1874538867 BADLQNDYOHDDQH-CIAFOILYSA-N 441.395 5.003 30 10 IKEE COc1c(Br)cc(Br)cc1/C=C/C(=O)c1ccc(F)cc1F 1874576925 NMJBVOZVOFSNOV-GORDUTHDSA-N 432.058 5.395 30 10 IKEE Cc1ccc(C(=O)/C=C/c2c(OCC(=O)Nc3ccc(F)cc3)ccc3ccccc23)cc1 1874579433 NOSOOBCDNCTZOF-FOCLMDBBSA-N 439.486 6.201 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1nc(O)c2ccccc2n1)c1ccc(F)cc1 1874584102 WPROGZLKVQWTTM-YRNVUSSQSA-N 434.854 5.603 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccccc1OCc1cccc(Cl)c1 1874584568 VEMVGBUHHZWPNZ-WYMLVPIESA-N 434.963 7.121 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccccc1OCc1cccc(Cl)c1 1874586270 DRVFOAPWJQXTBP-MDZDMXLPSA-N 447.745 7.131 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccccc2)cc1Cl 1874590335 GFCWMZGKUXBSHO-VQHVLOKHSA-N 447.745 7.131 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1cccc(OCc2c(F)cccc2Cl)c1 1874600526 QKDJAJVPIDONEQ-MDZDMXLPSA-N 445.317 6.925 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Cl)c(OCc2ccccc2F)c(OC)c1 1874610552 YWOBTWHYMIWXEH-VAWYXSNFSA-N 426.871 5.971 30 10 IKEE COc1c(Br)cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1Br 1874610892 QUTNRVRPIUHPLN-FARCUNLSSA-N 441.075 5.025 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OCCCO)c(Cl)c2)cc1 1874625475 HASQGYYUTWLFOU-RIYZIHGNSA-N 430.972 6.347 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(OC)c1OCc1cccc(F)c1 1874635545 RNNLKFUJNFYFTC-VAWYXSNFSA-N 444.546 6.963 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3cc(Cl)ccc3Cl)cc2)cc1 1874637615 JHQGMJKSBJIAAY-AWNIVKPZSA-N 440.326 6.215 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OC(=O)[C@@H](C)c1ccccc1 1874708251 UEJHWRWDNLGNTN-QGRTWZNFSA-N 428.528 6.424 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccccc3[N+](=O)[O-])c2)cc1 1874710316 WKYZKXZWAXFORN-XNTDXEJSSA-N 429.472 5.762 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2cccc(OC(=O)c3ccccn3)c2)cc1Cl 1874716690 FCFFJBSHKXRFBO-CMDGGOBGSA-N 428.271 5.512 30 10 IKEE C=CCN(CC=C)CCC(=O)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 1874749787 IWBUZQJOFZRZPL-UHFFFAOYSA-N 438.571 5.704 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)cc2Cl)cc1 1875097645 VSYHXJUUTPBZOI-OQLLNIDSSA-N 444.958 6.897 30 10 IKEE CC(C)(C)CC(=O)Oc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1[N+](=O)[O-] 1875115736 STFNFUZZNCSRFD-VQHVLOKHSA-N 446.297 5.595 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)c2cc(Cl)ccc2Cl)cc1 1875117391 CWSYEOJAKBSZBK-MDWZMJQESA-N 427.283 6.117 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2cccc(Cl)c2)cc1OC 1875123499 PIQIXWXGBHJNLZ-VAWYXSNFSA-N 435.347 6.774 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 1875134185 MWKMDWQBFJUJPD-VMPITWQZSA-N 444.571 6.330 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2cc(C)cc(C)c2)c([N+](=O)[O-])c1 1875143061 HJLMPNNUQXFAQV-SOFGYWHQSA-N 445.471 5.644 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)C(C)(C)C)c(OC)c2)c1 1875172706 IGSFUQRDTFCGCI-FMIVXFBMSA-N 426.509 5.340 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1Cl 1875173523 OJCKYRKJOGFDNX-MDWZMJQESA-N 436.891 5.781 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3C)c([N+](=O)[O-])c2)c(C)c1 1875183283 SWWQREGOZIRHRN-PKNBQFBNSA-N 429.472 5.944 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N1C[C@H](C)O[C@H](C)C1)n2CC(C)C 1875209926 FYMUJYKFOODHMJ-BGYRXZFFSA-N 443.636 5.109 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)OC(C)(C)C 1922059873 KVYYGMHJIUZNDX-NGSHPTGOSA-N 442.644 5.696 30 10 IKEE CC[C@@](C#N)(CCNC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)c1ccccc1OC 1942388240 JXDNRGIFJWHRBA-QHCPKHFHSA-N 433.549 5.024 30 10 IKEE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(C#N)(CC)CC 1985180603 WSNZKRFJZVBWEW-UUOWRZLLSA-N 447.579 5.138 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)[C@H]2CCCC[C@@H]21 2009369364 KWXRZAHBWONGEQ-JXQFQVJHSA-N 433.593 5.238 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)CC12CCC2 2011893685 XDCMNIZNFRSLCS-HXUWFJFHSA-N 447.498 5.002 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)C2(CCCC2)C1 2018646299 UWIKOBZVGMYNMD-DEOSSOPVSA-N 435.609 5.486 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@H](C#N)[C@]1(C)CCCN1C(=O)OC(C)(C)C 2020804997 VYFLJGNISRVXGN-DVECYGJZSA-N 435.609 5.628 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)NCCC 2024150583 LHYQJHSTABKWDS-NHTMILBNSA-N 430.633 5.601 30 10 IKEE O=C1NC(=NC2CCCCC2)SC1=Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 2053514910 ZTTDXFMTSHJBGK-UHFFFAOYSA-N 441.484 5.419 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(Cl)ccc(Br)c1F 2058342651 TZLUECJZSYPHLJ-CZUORRHYSA-N 435.765 5.362 30 10 IKEE C=C(c1ccccc1)[C@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2076572777 KNUIFMGWAVVGQZ-ZODMCCGTSA-N 438.612 5.567 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)c(Cl)c1 2103314768 QVXKOYIQSKPVPA-QZTJIDSGSA-N 445.829 6.003 30 10 IKEE C=CCC[C@H](C)[C@@H](NCCC)[C@@H](O)c1scc(Br)c1Br 2158324325 PBIAAPPWGIWONG-ZLKJLUDKSA-N 425.230 5.277 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CCC2)C[C@@H]1CNc1ccc(C#N)c(Br)c1F 2162342754 ODCFGPUBOXWYPK-CQSZACIVSA-N 438.341 5.051 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(Nc3cc(Br)cc(C#N)c3)CCCCC[C@H]12 2162344822 XSGXCVHYRMNQEC-GHTZIAJQSA-N 434.378 5.445 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1cc(Br)c(OCC)c(OC)c1 2164106924 GOJJKNPQDNRDFU-NRFANRHFSA-N 434.374 5.280 30 10 IKEE Cc1cccc(C(=O)Nc2cc(Br)ccc2C#N)c1NC(=O)OC(C)(C)C 2181107038 CFBLOIPEBUNFJV-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE C=CC1CC(CO)(N(Cc2ccccc2)C(=O)OCC2c3ccccc3-c3ccccc32)C1 2208920772 FZONDYQRLXJPDL-UHFFFAOYSA-N 439.555 5.765 30 10 IKEE C=CCN(CC[C@@H](NCC)c1sc(C)c(C)c1Br)C(=O)OC(C)(C)C 2221833444 PPKBHEYTNZWEHS-OAHLLOKOSA-N 431.440 5.591 30 10 IKEE CCCCCCCCC[C@H](CO)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2235387821 SHZHRTGYPDRAQO-HXUWFJFHSA-N 442.438 6.692 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)C[C@H](CC)CNC(=O)OC(C)(C)C 2235747044 MXZSJGOEHTZAEW-PKOBYXMFSA-N 437.422 5.110 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)CCC[C@@H](CC)NC(=O)OC(C)(C)C 2235747694 RWHZWZSZCLXVNJ-RTBURBONSA-N 437.422 5.252 30 10 IKEE CC#CCC[C@H](NCCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237421130 BEVKBAUDSVSQCL-VQTJNVASSA-N 437.422 5.057 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCC[C@H](C(C)(C)C)C1 2238180192 OQGBQZOUSDSJQJ-KSFYIVLOSA-N 435.406 6.689 30 10 IKEE C#CCC1(NC(=O)[C@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)CCC1 2243924286 DRCOLEZWKUQRBH-VWLOTQADSA-N 444.575 5.002 30 10 IKEE Cc1cc(C(=O)N(Cc2ccccc2)[C@H](C)C(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2247919948 UTDYRYZYFMFIQR-GOSISDBHSA-N 427.419 5.043 30 10 IKEE C=CC[C@@]1(COc2cc(C)cc(Br)n2)CCCCN1C(=O)OC(C)(C)C 2272124976 YIXLQFKSSKLDNA-FQEVSTJZSA-N 425.367 5.267 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC 2296219674 QQEGIMCYZMXPJE-DBVUQKKJSA-N 437.422 5.108 30 10 IKEE Cc1ccc(-n2cc(C=NNC(=S)Nc3ccc(F)cc3)c(-c3cccs3)n2)cc1C 2296403474 PBGAAJVFKPQJKY-UHFFFAOYSA-N 449.580 5.677 30 10 IKEE CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C=Cc3ccc(Br)cc3)c2C#N)C1 2296909390 IWAOPYIYVVRETN-OAHLLOKOSA-N 443.410 6.185 30 10 IKEE O=C(C=Cc1ccccc1F)c1c(O)nc2ccc(Br)cc2c1-c1ccccc1 2297314608 GRBYMNOBSAWKHU-UHFFFAOYSA-N 448.291 6.405 30 10 IKEE CCCCO[C@H]1Oc2ccc(Cl)cc2C(=O)C1=CN=c1[nH]c2c(Cl)cccc2s1 2297532674 SKSDCHASVYFOLE-FQEVSTJZSA-N 449.359 5.739 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@H](C#N)[C@]1(C)CCCCN1C(=O)OC(C)(C)C 2302616857 BQTVACORAQIQCJ-JPYJTQIMSA-N 449.617 5.557 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2314437661 SGHBHSOFWHMQRA-UHFFFAOYSA-N 432.475 6.497 30 10 IKEE CC[C@]1(C)N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(C)c1 2315232210 SIOLMDNQACPBQZ-LOSJGSFVSA-N 443.588 5.808 30 10 IKEE Cc1cc(OCc2c(F)cccc2Cl)cc2c1C(=O)C(=Cc1ccccc1Cl)O2 2321802332 JFLFLZLCWIHXHF-UHFFFAOYSA-N 429.274 6.636 30 10 IKEE CCCCC1CCC(c2nnc(S)n2N=Cc2ccc(OC(C)C)c(OCC)c2)CC1 2322106773 OHYRPBQICHJGNL-UHFFFAOYSA-N 444.645 6.099 30 10 IKEE CCCCCOc1ccc(C=Nn2c(S)nnc2COc2ccccc2Cl)cc1 2322141739 DYKBXUVBMXXFRL-UHFFFAOYSA-N 430.961 5.250 30 10 IKEE COc1cccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3cccs3)C4)C2=O)c1OC 2322308005 WTOXOOUWPOSTTF-UHFFFAOYSA-N 449.528 5.042 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccccc2C=CC(=O)c2ccc3c(c2)CCCC3)c1 2322328618 LBVVEVXBIVPBOP-UHFFFAOYSA-N 439.555 6.096 30 10 IKEE CCc1ccc(C=C2Oc3c(cc4c(c3C)OCN(CCCCN(CC)CC)C4)C2=O)cc1 2322390855 NLYAXIBYZPQLSC-UHFFFAOYSA-N 448.607 5.448 30 10 IKEE CCCNC(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccc(OCCC)cc1 2322607401 SWNVACCWPNLBAV-UHFFFAOYSA-N 431.532 5.430 30 10 IKEE COC(=O)c1ccc(C=C2Oc3c(ccc(OC(=O)c4ccccc4Cl)c3C)C2=O)cc1 2322725061 WEDCJHFAKSPWFO-UHFFFAOYSA-N 448.858 5.270 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OCc3ccccc3C)c2)c(OCC)c1 2323284013 WDLFCMQWLFFTEZ-UHFFFAOYSA-N 446.543 6.276 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3cccc(C)c3)c2)cc1Cl 2323310250 GVJNFOVJHBKTLB-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(Br)c1OCCO 2323404430 KJWIXAOIKTYZQU-UHFFFAOYSA-N 441.321 5.268 30 10 IKEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)C=Cc1ccc(C(C)(C)C)cc1 2323481456 ZDFVVESEBQSTQW-UHFFFAOYSA-N 428.661 6.149 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2ccccc2Cl)cc1OC 2323627108 GUMTWLOVZRRONG-UHFFFAOYSA-N 449.934 5.825 30 10 IKEE O=C1C(=Cc2ccccc2F)Oc2c1ccc(O)c2CN(C1CCCCC1)C1CCCCC1 2324042014 VFTAELFUDGMEQD-UHFFFAOYSA-N 449.566 6.615 30 10 IKEE N#C[C@@H](C(=O)C=Cc1ccc(Cl)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2324331680 HOJYQLSPZVMPDL-QHCPKHFHSA-N 440.955 7.020 30 10 IKEE Cc1ccc(OCCOc2cc(C)c3c(c2)OC(=Cc2c(F)cccc2Cl)C3=O)cc1 2324538703 LJEAAFHGKQVVIY-UHFFFAOYSA-N 438.882 6.170 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccc(C)o1)C2=O 2325008715 BNUYGJMOXDOREE-UHFFFAOYSA-N 431.488 5.401 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3)n2N=Cc2ccc(Cl)cc2)c1 2325489555 POCIPOATJQNSBI-UHFFFAOYSA-N 447.007 6.314 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2325547079 ISARORLJEDRXCB-UHFFFAOYSA-N 429.933 5.275 30 10 IKEE COc1ccccc1C(=O)C=Cc1cccc(OC(=O)COc2ccc(Cl)c(C)c2)c1 2325724220 XGSUVABNEKMMMW-UHFFFAOYSA-N 436.891 5.538 30 10 IKEE COc1ccccc1C(=O)C=Cc1cccc(OC(=O)c2ccccc2-c2ccccc2)c1 2325724485 JKTSKZKLWSORBK-UHFFFAOYSA-N 434.491 6.478 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OC(=O)COc1cccc(C)c1C 2325735367 RXLIDNLORIQUKB-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3cc(Cl)ccc3Cl)c2)c(C)c1 2325736078 JIFDZYPZBWTVIZ-UHFFFAOYSA-N 439.338 6.654 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1OC(=O)c1cccc2ccccc12 2325753093 UHHBLMIRFROYDZ-UHFFFAOYSA-N 444.433 6.242 30 10 IKEE CC(C)COc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(F)c(F)c3)c2)cc1 2325753521 JLQUYTAWDTVZKI-UHFFFAOYSA-N 436.454 6.115 30 10 IKEE CCOc1cccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c(C)c3C)c2)c1 2325755738 CAPDXRRIZWHDMC-UHFFFAOYSA-N 430.500 5.826 30 10 IKEE CCOc1ccc(C=Nn2c(C)nnc2SCc2ccc(C(C)(C)C)cc2)cc1OC 2326320859 MQYUDEPBAPNGME-UHFFFAOYSA-N 438.597 5.466 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc(O)cc1 2326592307 JWZZZZIOAMXQCC-UHFFFAOYSA-N 428.561 5.473 30 10 IKEE Clc1ccc(CSc2nncn2N=Cc2ccc(Cl)c(Cl)c2)c(Cl)c1 2326697702 FWRVWHSTGZDVBE-UHFFFAOYSA-N 432.163 6.066 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1ccc(CC)cc1 2327363056 WLXFPPFTTBLEKP-UHFFFAOYSA-N 434.609 5.922 30 10 IKEE Cc1ccccc1C=Nn1c(Cc2ccc(Cl)cc2)nnc1SCc1ccccc1 2329101044 QADWUFNMASOLSL-UHFFFAOYSA-N 432.980 6.005 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2ccccc2C)cc1 2329247094 RTEYGVZTZSSTAH-UHFFFAOYSA-N 442.588 5.669 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3C)n2N=Cc2cccc(O)c2)c1 2329477896 SDHKNNMMSDHQCQ-UHFFFAOYSA-N 442.588 5.560 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cc(C)ccc3C)n2N=Cc2ccccc2)cc1 2329999709 LNLZKRLNDQALQI-UHFFFAOYSA-N 426.589 5.969 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2ccccc2)n1N=Cc1ccc(F)cc1F 2330164659 IZUCJGPBMAFHBA-UHFFFAOYSA-N 448.542 5.824 30 10 IKEE Clc1ccccc1C=Nn1c(Cc2cccs2)nnc1SCCc1ccccc1 2330396168 QCXWFMDVXZGBBV-UHFFFAOYSA-N 439.009 5.801 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccccc3C)nnc2-c2cccs2)cc1 2330537669 NNKIQKYAQWETEB-UHFFFAOYSA-N 434.590 5.888 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@H]2CCCO2)c(Cl)c1)c1ccc(Cl)cc1Cl 2330807619 OARDWXIRERQAQD-LJQANCHMSA-N 425.695 5.627 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)cc3F)c(OC)c2)cc1 2330989819 MAWNNVJNXDFVNR-UHFFFAOYSA-N 438.426 5.026 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1 2331051467 YACXKDDSKRGACV-KRWDZBQOSA-N 436.891 5.618 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1OCC 2331248854 VQRMPPUNDTZSAG-UHFFFAOYSA-N 449.374 7.164 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC(=O)CC(C)(C)C 2331413853 QQSWAHKAMGWWIW-UHFFFAOYSA-N 438.564 6.239 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)C)n2N=Cc2c(Cl)cccc2Cl)c1 2331456344 DENDNAPMGFXCFY-UHFFFAOYSA-N 447.435 6.575 30 10 IKEE Cc1cccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C2CCC2)c1 2331541764 PLFYWMAPHOQHSY-UHFFFAOYSA-N 431.392 6.335 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccc(CC)cc2)n1N=Cc1ccc(Cl)cc1 2331637103 YYOISBNOMJYIHI-UHFFFAOYSA-N 441.988 5.059 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1cccs1 2331653702 YOTJIFYQVUNPOE-UHFFFAOYSA-N 434.557 6.496 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3sccc3C)cc2)c(OC)c1OC 2331885384 VEOPZLPWIVSUTI-UHFFFAOYSA-N 438.501 5.198 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@@H](N)C#Cc2ccc(Br)cc2)c(Cl)c1 2335922717 LBVZXSYLVLELPY-SFHVURJKSA-N 435.749 5.501 30 10 IKEE CCCN[C@@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)C1CC2(CC2)C1 2344927631 AAZLSZJNMKTZIL-LJAQVGFWSA-N 444.667 5.073 30 10 IKEE CC1(C)OB(C=Cc2ccc(SCc3cccc(Br)c3)nc2)OC1(C)C 2366995677 DMGRBVIPMZLZFO-UHFFFAOYSA-N 432.192 5.781 30 10 IKEE CC1=NN(/C(=N\c2ccccc2)Nc2nnc(C)s2)[C@H](c2cccc3ccccc23)S1 8829005 XFVDJYLPGSKDJT-NRFANRHFSA-N 444.589 6.180 30 10 IKEE CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)c(Cl)c1 9861341 VMKGWHZLRLLONO-DEOSSOPVSA-N 443.374 6.691 30 10 IKEE COc1ccc(-c2nnc(SCc3ccccc3C#N)n2-c2ccc(OC)cc2)cc1 10247592 HEYQRLXRAWIVGU-UHFFFAOYSA-N 428.517 5.115 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(C(C)C)cc2)c1 33698663 XIEFAMAFZNECGX-VWLOTQADSA-N 440.543 5.600 30 10 IKEE COc1ccc(/C=C2\S/C(=N/c3cccc(C(=O)O)c3)N(c3ccccc3)C2=O)cc1 39866723 WNLLYWNZXWFMQO-YCBMQGOFSA-N 430.485 5.202 30 10 IKEE C=CCc1ccccc1OCCCn1c(COc2ccccc2Cl)nc2ccccc21 40232985 GQTYMFFBPIGSAE-UHFFFAOYSA-N 432.951 6.466 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4c(OC)cccc4OC)c3C)C2=O)cc1 41289936 IDDLXXMGCLXORH-HAHDFKILSA-N 444.483 5.410 30 10 IKEE O=C(Cc1ccccc1)Oc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 41355962 AGHXFFDHWWRBSV-PKAZHMFMSA-N 432.475 6.118 30 10 IKEE O=C1c2ccc(Cl)c3c(Cl)ccc(c23)C(=O)N1/N=C/c1cccc(Br)c1 59381996 KAOYMVWAAWEISK-NUGSKGIGSA-N 448.103 5.539 30 10 IKEE C=CCOc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccc(OC)cc2)cc1 64796796 ODHZOJUKEUOJOL-SFHVURJKSA-N 435.501 5.161 30 10 IKEE C=CCN1C(=O)c2ccccc2N[C@H]1c1c(OCCc2ccccc2)ccc2ccccc12 66133127 ZUZLLVNENZZUPG-MUUNZHRXSA-N 434.539 6.214 30 10 IKEE CCCc1nc2scc(-c3ccc4c(c3)CCCC4)c2c(=O)n1Cc1cccc(C#N)c1 96530634 CXWRDNBHANNRTA-UHFFFAOYSA-N 439.584 5.876 30 10 IKEE CCCCCCCC/C=C\CCCCCCCCNCCCNCCCNCCCN 100051195 XWNMFDCGCAFWHB-KTKRTIGZSA-N 438.789 5.922 30 10 IKEE CCCCCCCCCCCCCCCCNCC(=O)Nc1cccc(NC(C)=O)c1 100055869 FVIPDMZHGZRIBS-UHFFFAOYSA-N 431.665 6.654 30 10 IKEE CCCCCCCOc1cccc(NCC(=O)Nc2ccccc2OC[C@@H]2CCCO2)c1 100090126 ARLARQAVXFCBHJ-QHCPKHFHSA-N 440.584 5.644 30 10 IKEE CCCCCCCOc1ccc(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 100434475 HOBVLXYBGYXHAQ-UHFFFAOYSA-N 428.642 6.065 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)N(CCC#N)Cc1ccccc1 100444371 ALZAXDQZDVBIIZ-UHFFFAOYSA-N 429.674 6.504 30 10 IKEE CCCCCCCCCCCn1c([C@@H](C)NC(=O)C2CCCCC2)nc2ccccc21 102117342 UGCQPJNGPSBMEN-JOCHJYFZSA-N 425.661 7.325 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OS(=O)(=O)c4ccccc4)ccc3C2=O)c2ccccc21 102733966 GMYIKSWZXHAZKK-OYKKKHCWSA-N 445.496 5.045 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2cc(C)ccc2C)cc1 169924645 UKNBMBZGTXQECL-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc(F)c(C)c2)=C(O)C(=O)N1c1ccc(C)cc1C 169945271 VJRZNWXFWBCMAR-DEOSSOPVSA-N 445.490 5.542 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2cccc(C)c2)c1 169969801 XGLRKMKKKHHXLC-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCC)cc1 169976084 APTKDUHWEVKBPQ-QHCPKHFHSA-N 439.527 5.691 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1cccs1)c1ccc(Cl)cc1 169989516 IZHCDFVOTJFCEI-FQEVSTJZSA-N 441.911 5.362 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2ccccn2)cc1C 169994417 UZJDMPAKGPVJMJ-JOCHJYFZSA-N 432.907 5.443 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@@H]2c2cccnc2)c1 170004734 LLTAJTALGOMGMG-OAQYLSRUSA-N 436.870 5.274 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccc(F)cc2)c1 170061339 UUVFINRZQMQDKF-JOCHJYFZSA-N 435.882 5.879 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)[C@H]2c2ccco2)cc1 170094927 MSNJCDWVGXXTIK-QHCPKHFHSA-N 431.488 5.412 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccc(Cl)cc2)[C@@H]1c1ccco1)c1cc2ccccc2o1 170096722 ZSBRVACXMFKZKZ-JOCHJYFZSA-N 447.874 5.500 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C2CCCCC2)c1 170119298 AITYKWVJBPUWNJ-OAQYLSRUSA-N 425.912 5.260 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@@H]1c1ccccc1OC 170125486 OVJVSPYVIWYFMI-FQEVSTJZSA-N 448.544 5.115 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cccs1 170163775 IKRABJUMBBDQHX-FQEVSTJZSA-N 425.550 5.285 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC(C)C)c3)[C@H]2c2ccccn2)cc1 170174210 FHDJTSMMVLXZEB-XMMPIXPASA-N 442.515 5.208 30 10 IKEE NC1=C(c2nc(-c3cccs3)cs2)C(=O)CN1c1cccc(OCc2ccccc2)c1 170181503 YYWUXDXHFVPANG-UHFFFAOYSA-N 445.569 5.167 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2cccnc2)cc1C 170187891 RVCYROVLDWNALQ-DEOSSOPVSA-N 442.515 5.188 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccccc2)c1 170223804 BCJPVQJTPRBUPQ-RUZDIDTESA-N 441.527 5.874 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@@H]1c1ccc(F)cc1 170243915 KZBLYHCGHHRTFK-QFIPXVFZSA-N 425.500 5.301 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@@H]1c1c[nH]c2ccccc12 170255370 UZGMSLDHJRARDH-NRFANRHFSA-N 438.911 5.208 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccco2)c1 170297079 UIHUWQHAUAVUPX-RUZDIDTESA-N 437.495 5.828 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@H]1c1ccc(C)o1 170301788 ZAHVHHQSYILWRG-QHCPKHFHSA-N 431.488 5.305 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@H]1c1ccc(C)o1 170310121 CKPBMGDFOYUCDU-LJQANCHMSA-N 431.916 5.327 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccc(OCC(C)C)c2)cc1 170366029 ZOGONRGALNCLIP-VWLOTQADSA-N 441.527 5.813 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2c(C)[nH]c3ccccc23)cc1C 170404263 WBZFIGWYQFGCFS-XMMPIXPASA-N 437.499 5.271 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(C)c(C)c2)cc1 170453158 AKMSRJYXMQWFSA-HSZRJFAPSA-N 434.580 5.665 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 170468949 PVUOUNQEPCOJLF-JOCHJYFZSA-N 435.564 5.898 30 10 IKEE C=C[C@H]1c2ccccc2N(S(=O)(=O)c2ccc(C)cc2)[C@@H]1C(=O)c1ccc(Cl)cc1 248044135 VWMVDXOXCBVOSZ-REWPJTCUSA-N 437.948 5.378 30 10 IKEE S=C1C(=Nc2ccccc2)N(c2ccccc2)C(=Nc2ccccc2)N1c1ccccc1 252598732 DCWAWJOUIVROSI-UHFFFAOYSA-N 432.552 6.759 30 10 IKEE CC[C@H](C)Oc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 253572711 QMYZHVOKBCTQRT-NTFQWFPTSA-N 444.600 6.905 30 10 IKEE N#Cc1ncc(Br)cc1Oc1ccc(Br)cc1Br 302379798 PMKWHMRXYAPSFD-UHFFFAOYSA-N 432.897 5.033 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccc(Cl)c2)c(OC)c1 526522240 QIGZBINWAHDXBY-QHCPKHFHSA-N 446.890 5.286 30 10 IKEE Clc1ccc(/C=N\n2cnnc2SCc2c(Cl)cccc2Cl)c(Cl)c1 526813704 BYSBHQNDFDWKEZ-HOEBFWFUSA-N 432.163 6.066 30 10 IKEE CCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1cc(Cl)c(OC)c(Cl)c1 526821926 AZZUNUPHVDYMSB-MYKKPKGFSA-N 446.363 5.202 30 10 IKEE CCCCCCOc1ccccc1C(=O)/C=N\n1cnnc1SCc1cccc(F)c1 526824525 HBHXNLUFOCJLPH-YSMPRRRNSA-N 440.544 5.385 30 10 IKEE N#Cc1ccc(NC(=O)Cc2csc(SCc3ccc(Cl)cc3Cl)n2)cc1 585161581 KGACBPQCAITCDX-UHFFFAOYSA-N 434.373 5.795 30 10 IKEE C=C(C)CN(C(c1ccccc1)c1ccccc1)S(=O)(=O)c1cc(C)c(C)cc1OC 586163168 CFXWYPUOOJWGFF-UHFFFAOYSA-N 435.589 5.668 30 10 IKEE CC(C)Oc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2F)cc1 586256526 LLSIPMAEIQZVPL-UHFFFAOYSA-N 442.487 5.019 30 10 IKEE CC(C)Oc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2F)cc1 586256971 SWKFFZSEXRXNDM-UHFFFAOYSA-N 442.487 5.019 30 10 IKEE C#CCCCCC[C@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 686705496 ZENAJUGOWXJZAS-XWGVYQGASA-N 430.633 5.437 30 10 IKEE CCn1nc(C)c([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)c1C 698390020 HZZMECUAZHPYJA-KRWDZBQOSA-N 433.350 5.289 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2cc(F)ccc2Br)cc1 710708348 OEHZIJQGJXPBAE-GOSISDBHSA-N 435.293 5.603 30 10 IKEE C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(CC(C)C)cc2)[n+]2cc(O)ccc2C)c1 726573377 YUWOLZNSYRIFGE-UHFFFAOYSA-O 443.592 5.491 30 10 IKEE CN(C)c1ccc(/C=C/C=NN=C2CC[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]23C)cc1 885859697 KJCIEPRMJJUJPF-YXULGMGASA-N 445.695 7.625 30 10 IKEE CCCCC(C)=NNc1nc(SCC(=O)N(C2CCCCC2)C2CCCCC2)n[nH]1 1084027885 PQELDXPLSHUWPB-UHFFFAOYSA-N 434.654 5.369 30 10 IKEE CCn1c2ccccc2c2cc(C=Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)ccc21 1084280090 PWWIJMRGHLBBST-UHFFFAOYSA-N 445.588 5.740 30 10 IKEE C=CCn1c(C)c(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)c2ccccc21 1084346109 OOACPFGITQTIQY-XDHOZWIPSA-N 442.371 6.334 30 10 IKEE CC(C)=NN(CC(F)(F)F)C(=S)Nc1c(Cl)cc(OC(F)(F)F)cc1Cl 1088671011 ZSZUWMLGNPOZCR-UHFFFAOYSA-N 442.212 5.849 30 10 IKEE Cc1cc(C)cc(-n2c(C)cc3c2CC(C)(C)CC3=NOC(=O)COc2ccccc2)c1 1772728281 CWUGQPDLZFJAJB-UHFFFAOYSA-N 430.548 5.701 30 10 IKEE COc1ccc(C=NN=C2S/C(=C/C=C/c3ccccc3)C(=O)N2Cc2ccco2)cc1 1772757810 KUPJGBXNIUANKL-YHRZUPCWSA-N 443.528 5.351 30 10 IKEE CCCCCCCCCCn1cc(OCCOc2ccc(OC)cc2)c(=O)cc1C(=O)O 1857890851 GMNJAJXJILBNEQ-UHFFFAOYSA-N 445.556 5.154 30 10 IKEE Cc1nn(-c2cccc(Cl)c2)c2ncc(C(=O)Nc3sc4c(c3C#N)CCC4)cc12 1859749130 GIXNRMMEBQRZSJ-UHFFFAOYSA-N 433.924 5.057 30 10 IKEE C=CCN(CC=C)C(=O)c1cccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)n1 1860577754 RHEQPWPUQNARAR-UHFFFAOYSA-N 448.350 5.000 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](C)NC(=O)c1ccc2nc(C(C)(C)C)[nH]c2c1 1861444867 RLQWDBKEKMKSNU-SFHVURJKSA-N 428.621 5.236 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(OCC)cc2)cc1 1862392547 ABVVRYLRMGHCAE-VWLOTQADSA-N 447.575 5.949 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2ccc(C(C)C)cc2)cc1 1862395783 YKFQJHKZYREYIU-UUOWRZLLSA-N 435.564 5.112 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@H]2c2cccc(F)c2)cc1 1862432076 VZHLXIGTLDTENE-HSZRJFAPSA-N 449.909 5.609 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccccc1Cl)c1ccccc1Cl 1862433344 ZSWOWQKNAUZBSR-FQEVSTJZSA-N 430.331 5.904 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccccc1Cl 1862470368 MECFFMVAQHRWSN-SGTLLEGYSA-N 448.744 5.479 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cccc(F)c1 1862489280 UCJYZFZWKOWNTK-XUZZJYLKSA-N 437.555 6.380 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccccc2C)c1 1862489783 GSHWDRICFAZLHZ-VWLOTQADSA-N 425.528 5.433 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccccc1Cl 1862502570 DIIWVEPPSAKZNP-NRFANRHFSA-N 429.919 5.946 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(OCCC)cc1 1862510451 DOPBYSQDRYDKDP-QHCPKHFHSA-N 439.527 5.691 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccccc1Cl)c1cccc(O)c1 1862596972 XNFGFUBJLHILKJ-NRFANRHFSA-N 425.912 5.347 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1cccc(O)c1 1862614113 YCSQDVBECDUWQM-QHCPKHFHSA-N 435.564 5.848 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc(C)cc2)cc1F 1862636808 OSVWVNOAWRZCGD-LQNXUBFPSA-N 437.511 5.300 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1cccc(F)c1 1862638087 UEZPCQYBKCCBPG-OAQYLSRUSA-N 429.463 5.132 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2c(Cl)cccc2Cl)cc1F 1862643743 UUVLONKXDWBTOI-SFHVURJKSA-N 438.282 5.128 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862670224 OOKWGFQSTLTWON-KBMIEXCESA-N 449.591 6.366 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cccc2ccccc12 1862737057 CFFGSQYVKWDWNI-HSZRJFAPSA-N 444.487 5.517 30 10 IKEE Cc1cc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccccc3Cl)C2=O)ccc1F 1863096920 MWNNFROGEFTPOY-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE CCCCCCCCN1C(=O)C(NCCOc2ccccc2)=C(c2ccc(C)cc2)C1=O 1863621228 HXRHHHSFAUBBPW-UHFFFAOYSA-N 434.580 5.104 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC2CCCC2)=C(c2c[nH]c3ccccc23)C1=O 1863817008 NYNIWPUJDZUCKK-UHFFFAOYSA-N 435.612 5.921 30 10 IKEE C=CCN(CC=C)c1cc(N2CCO[C@@H](c3cccc(Cl)c3)C2)nc(-c2ccccc2)n1 1869208056 MCZCIOWLRWBSRE-HSZRJFAPSA-N 446.982 5.553 30 10 IKEE C=CCn1cc(OCCCOc2ccc(CC)cc2)c(=O)cc1CSCc1ccccc1 1870267596 JNYKUUNDDYNAQN-UHFFFAOYSA-N 449.616 5.878 30 10 IKEE C=CCn1cc(OCCCOc2ccc(CC)cc2)c(=O)cc1CN(CC)CCCC 1870454664 VFHUGHSNTJCKDA-UHFFFAOYSA-N 426.601 5.067 30 10 IKEE CCCCCCCCn1cc(OCC2CCCCC2)c(=O)cc1CN1CCCCCC1 1870482643 BTBJSXWVIZAYNX-UHFFFAOYSA-N 430.677 6.544 30 10 IKEE CCCCCCCOc1cn(CCCOC(C)C)c(CNc2ccc(Cl)cc2)cc1=O 1870837680 SISVOGHZNXDYGZ-UHFFFAOYSA-N 449.035 6.278 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)OC)c(=O)cc1CNc1ccccc1C 1870875361 UMTZTWBCGFYROY-UHFFFAOYSA-N 442.600 5.461 30 10 IKEE C=CCn1cc(OCCCOc2cccc(C)c2)c(=O)cc1CNc1ccc(C)c(F)c1 1871219317 FMCYLQUWKMCERK-UHFFFAOYSA-N 436.527 5.250 30 10 IKEE CCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1cc(Cl)ccc1C 1871254479 XSGYXSOMPDZXMY-UHFFFAOYSA-N 449.982 6.063 30 10 IKEE CCCCCCCCCCN=c1[nH]c(Nc2ccc(N3CCCC3)cc2)ncc1[N+](=O)[O-] 1871307989 DBGLSKLTGKYYBK-UHFFFAOYSA-N 440.592 5.703 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccco1)O3)CN(C1CCCCCCCCCCC1)CO2 1871351164 NGSZRROLIRSAFQ-UQQQWYQISA-N 449.591 7.029 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(C(C)(C)C)cc1)C3=O)CN(CCc1cnc[nH]1)CO2 1871355588 OLZBVAKRMTWYBV-KSEXSDGBSA-N 443.547 5.026 30 10 IKEE C=CCOc1cccc(C(=O)Nc2ccc3oc(-c4ccc(OCC)cc4)cc(=O)c3c2)c1 1871358026 FRWMXUUTSDJTEA-UHFFFAOYSA-N 441.483 5.676 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccco1)C3=O)CN([C@H](C)c1ccc3c(c1)CCCC3)CO2 1871360226 XICVTGMSTXNXPF-DBXOKZBGSA-N 441.527 5.996 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc(OCCC(=O)OCCC(C)C)c2C)C1=O 1871429290 OOLBISCPQVWUDI-KQWNVCNZSA-N 438.520 5.368 30 10 IKEE CC(=O)c1ccccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1sccc1C)C2=O 1871441382 BLFWNXPZENVKKU-MTJSOVHGSA-N 447.512 5.201 30 10 IKEE CCCCCCCCN=c1nc(N(C)CCCC)[nH]c(=Nc2ccccc2C(C)C)[nH]1 1871495671 MYGUZZCEFBKZAO-UHFFFAOYSA-N 426.653 5.591 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(F)cc2)[nH]c(N(CCC)CCCC)n1 1871516060 NGKNZFSHABMFMC-UHFFFAOYSA-N 430.616 5.965 30 10 IKEE N#C[C@@H](C(=O)c1ccccc1C(=O)c1ccccc1)c1nc(-c2ccccc2Cl)cs1 1872764577 QYWJBWMGCYOOOJ-FQEVSTJZSA-N 442.927 6.185 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(OCC(C)C)c3)n2)cc1 1872765262 LBCILABSYCAFAB-QHCPKHFHSA-N 432.589 6.678 30 10 IKEE CCCCN(CCC)CC(=O)[C@H](C#N)c1nc(-c2ccc(Br)cc2)c(C)s1 1872800396 SXTKNLCNDOVKOK-SFHVURJKSA-N 448.430 5.569 30 10 IKEE CCCCCCCCN1C[C@H](C(=O)N2CCC[C@H]2c2nc3ccccc3s2)CC1=O 1872967852 OQQCZSUXRHQDRF-QUCCMNQESA-N 427.614 5.169 30 10 IKEE CCCCCCCCN1C(=O)C(NC2CCCCCCC2)=C(c2ccccc2Cl)C1=O 1873032183 KGZJPWHPZRZCNE-UHFFFAOYSA-N 445.047 6.483 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2Br)C(=O)N(C(C)C)C1=O 1873070058 HHYIESCWUFXQHX-UHFFFAOYSA-N 449.433 5.668 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(OCCCC)cc2)cc2c(NCCCCC)ncnc21 1873622914 POWZUANUNJAWCE-UHFFFAOYSA-N 435.572 5.651 30 10 IKEE C=CCn1c(C(=O)Nc2cc(C)cc(C)c2)cc2c(NCCCCN(CC)CC)ncnc21 1873630221 QGLSVMCYKFKMRD-UHFFFAOYSA-N 448.615 5.020 30 10 IKEE N#Cc1ccccc1NC(=O)[C@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 1873868846 UHRQLXMNTPSNTF-RUZDIDTESA-N 435.527 5.249 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccc(OC)cc1 1874213886 KALQOAIKFBKUHI-LFVJCYFKSA-N 442.972 5.112 30 10 IKEE CCCOc1ccccc1/C=N/n1c(CCCOc2ccc(CC)cc2)nnc1SC 1874223310 FKRZNISNZQUXOX-XIEYBQDHSA-N 438.597 5.245 30 10 IKEE CCSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1c[nH]c2ccccc12 1874225578 RXRQQKJOAFQOPY-WGOQTCKBSA-N 433.581 5.382 30 10 IKEE C=CCSc1nnc(CCc2ccc(OC)cc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874307015 BFQWBWZCNGIYAM-CVKSISIWSA-N 446.498 5.251 30 10 IKEE Cc1cccc(/C=N/n2c(Cc3ccc(C)c(C)c3)nnc2SCCc2ccccc2)c1 1874358338 BQRUDVZHYPYTFN-TURZUDJPSA-N 440.616 6.011 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1cccs1 1874376674 IDXLTIJCSMUVQQ-ZMOGYAJESA-N 442.972 5.897 30 10 IKEE Cc1cccc(/C=N/n2c(COc3ccccc3)nnc2SCc2ccc(Cl)cc2)c1 1874385274 HZDNUAPXTPEEEL-CVKSISIWSA-N 448.979 5.993 30 10 IKEE COc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2[C@H](C)c2ccccc2)cc1 1874395960 ZPHFYXVZISCZBR-PZLSILOWSA-N 442.588 5.656 30 10 IKEE CCOc1cccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2cccc(C)c2)c1 1874406976 ZHDVBZYCPAJJAE-OVVQPSECSA-N 448.636 6.283 30 10 IKEE C(=N/n1c(Cc2cccs2)nnc1SCc1cccc2ccccc12)\c1ccc[nH]1 1874413871 PPYCZDRNGIEWHX-MFKUBSTISA-N 429.574 5.586 30 10 IKEE COc1cccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2C)c1 1874416300 JBOMYCSBPGKYGX-YZSQISJMSA-N 428.561 5.360 30 10 IKEE Fc1ccccc1/C=N/n1c(SCc2cccc3ccccc23)nnc1-c1ccccc1 1874429354 GOFMJCVUCJBIIU-OGLMXYFKSA-N 438.531 6.412 30 10 IKEE C=CCSc1nnc([C@H]2CCCO2)n1/N=C/c1ccc(N(CC)Cc2ccccc2)cc1 1874448484 CWKDTSFDAFCFCR-ZCBHOAFYSA-N 447.608 5.316 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1cccc(OC)c1 1874480435 WPOHJPHMLHMTJO-ZMOGYAJESA-N 449.407 6.111 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C(C)(C)C)cc1 1874485702 ISJALZFBNMAYKH-DHRITJCHSA-N 447.435 6.619 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CC2)c1O 1874522968 BFNLKLOCRVICDE-AUEPDCJTSA-N 449.363 5.351 30 10 IKEE CCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(Br)cc1 1874528205 XERNZUOHCKYEJQ-SRZZPIQSSA-N 435.778 5.431 30 10 IKEE Fc1ccc(COc2cccc(/C=N/n3c(S)nnc3CCc3cccs3)c2)cc1 1874561827 MBVBIPRRYMFWNR-ZVHZXABRSA-N 438.553 5.014 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccccc2/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1 1874570102 OXIWUSFMUSPSQU-ZHACJKMWSA-N 430.460 5.125 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(F)cc2F)c1OCc1c(F)cccc1Cl 1874576558 SLCYOJRLLCBSRP-DHZHZOJOSA-N 432.825 6.241 30 10 IKEE CCCN(CCC)C(=O)COc1c(/C=C/C(=O)c2ccc(F)c(C)c2)cccc1OC 1874581335 IPXYPPXORXDDDS-ACCUITESSA-N 427.516 5.066 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C(C)C)cc2)c1OCC(=O)Nc1ccccc1C 1874583965 OZBLHMGIOGTJSC-WUKNDPDISA-N 443.543 6.041 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccccc1OCc1cccc2ccccc12 1874588876 JKSIJWYBBMCIRZ-CCEZHUSRSA-N 442.942 7.285 30 10 IKEE C=C(C)COc1c(OC)ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)c1Br 1874597078 SJRWVWSGLYOICM-QPJJXVBHSA-N 445.309 5.080 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OCC(=O)NCc1ccco1 1874603325 NTJCCUVIAORHBQ-XYOKQWHBSA-N 441.483 5.033 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccc(F)cc1 1874606259 FIPXLOPCBXHENX-VZUCSPMQSA-N 445.317 7.006 30 10 IKEE C=C(C)COc1c(Br)cc(/C=C/C(=O)c2ccc(OC)cc2)cc1OCC 1874609268 HVGCQOGQGYBCIC-IZZDOVSWSA-N 431.326 5.707 30 10 IKEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc1Cl 1874634442 BSLXTDQGESQAQH-FNORWQNLSA-N 437.319 5.539 30 10 IKEE CCOc1c(Br)cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1OC 1874635049 DIRCXQCWNWSARB-PKNBQFBNSA-N 431.370 6.358 30 10 IKEE CCOc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c(F)c3)c2)cc1 1874706881 FBKQSTNKAPXQBI-UKTHLTGXSA-N 434.463 5.277 30 10 IKEE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3Cl)cc2)cc1 1875112141 ZAUXESJGQYZJMI-DMVFFGLYSA-N 448.946 6.732 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(CC)cc3)c(Cl)c2)cc1 1875129620 LSAONYKIJJQFGN-VIZOYTHASA-N 434.919 6.416 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1ccccc1Cl 1875133152 HOCXKMAVUKRLMC-JLHYYAGUSA-N 436.891 5.781 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)CCc1ccc(Cl)cc1 1875134427 SCXQMNPIWHETPC-NTUHNPAUSA-N 448.946 6.400 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccccc3)c([N+](=O)[O-])c2)c(C)c1 1875134943 RNQFGXFDCZEKNQ-FMIVXFBMSA-N 431.444 5.092 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)c3ccccc3)c(Br)c2)cc1 1875135856 KSHPXILPBXDAHM-PMXLPMHFSA-N 449.344 6.363 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3Cl)c(Cl)c2)c1 1875139466 KGBNGCTYCTZKLJ-PKNBQFBNSA-N 425.311 6.726 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(C)c3)cc2Cl)cc1 1875141451 FXYIRXLRNZZTQW-UUILKARUSA-N 438.882 6.302 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3F)c([N+](=O)[O-])c2)cc1 1875148125 BPLAQJCADJMKOJ-RIYZIHGNSA-N 447.462 6.147 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3F)c([N+](=O)[O-])c2)cc1 1875156674 ILFOFLMJNMKZSH-NTUHNPAUSA-N 433.435 5.973 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)C(C)(C)C)c([N+](=O)[O-])c1 1875160917 PQKCDCCVQCVENW-DHZHZOJOSA-N 439.508 5.749 30 10 IKEE CCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OCC)cc2OCC)cc1OCC 1875179492 MLRCBONBDCVRLH-GXDHUFHOSA-N 426.509 5.484 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)cc3)cc2)c(OC)c1OC 1875194413 RIISRZUCYXUBDB-OQLLNIDSSA-N 432.472 5.136 30 10 IKEE C=C(COCc1ccccc1)[C@H](N)c1cc(NC(=O)OC(C)(C)C)ccc1Br 1922102226 GCDMHDNAOPXFCO-FQEVSTJZSA-N 447.373 5.569 30 10 IKEE CCCCCCCC[C@@H](NC)c1c(Br)sc(Br)c1Cl 1923076325 QHDLKADMXQQVGM-SNVBAGLBSA-N 431.665 6.938 30 10 IKEE C=C(C(=O)O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1Cl 1951599913 FOMWJEOWBMSUEQ-HSZRJFAPSA-N 433.891 5.561 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C12CCCC2 2017307759 VXTHOWMPBDTGLK-DEOSSOPVSA-N 433.593 5.382 30 10 IKEE Cc1cc(Br)sc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 2039289700 HNFAFZKLLMJOHK-CQSZACIVSA-N 441.778 6.479 30 10 IKEE N#Cc1c(C2CCC2)nn([C@H](c2ccc(C3CC3)cc2)C2CC2)c1I 2079036286 SWPHARKIUICFFN-HXUWFJFHSA-N 443.332 5.504 30 10 IKEE Cc1ccc([C@H](C(C)C)n2nc(C(C)(C)C)c(C#N)c2I)c(C)c1 2079071661 QGPSYQHEFRBYGS-KRWDZBQOSA-N 435.353 5.519 30 10 IKEE Cc1ccc([C@@H](C2CCC2)n2nc(C3(C)CC3)c(C#N)c2I)cc1C 2079131428 TXFUCJWGDZUQQA-GOSISDBHSA-N 445.348 5.417 30 10 IKEE CC(=O)Oc1ccc([C@H](n2nc(C(F)F)c(C#N)c2Br)C(C)(C)C)cc1 2080104737 HRDNCSKHMZTJCU-HNNXBMFYSA-N 426.261 5.016 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@@H](C#N)c1cc(O)ccc1Br 2088245150 DPQVCTZFBYVCRA-KRWDZBQOSA-N 437.721 5.814 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1ccc(O)cc1Cl 2096989068 GIXFRIHLVANJGY-QGZVFWFLSA-N 437.721 5.814 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCC[C@@]23C[C@@H](CO2)[C@@H]31 2144304101 YELXVXBRTUWLFQ-ITNCUTESSA-N 433.346 5.042 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CC12CCC(C#N)(Nc1cccc(Br)c1)CC2 2158286692 WMYJDHPJECWNFE-VUZGARFFSA-N 434.378 5.228 30 10 IKEE CC[C@@]1(CNc2ccc(C#N)c(Br)c2F)CCCCN1C(=O)OC(C)(C)C 2162424075 WYQXGWXHNKFKAC-FQEVSTJZSA-N 440.357 5.442 30 10 IKEE CC(C)(C)OC(=O)NC1CCC2(CC1)CC(Nc1ccc(Br)c(C#N)c1)C2 2176703895 YVAVKRPSGCHUND-UHFFFAOYSA-N 434.378 5.349 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CC[C@@]2(CCCOC2)C1 2185131951 FBBTUFAROAVMIB-SFTDATJTSA-N 435.362 5.434 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCN[C@@H](C2CCC2)C1 2194158677 NHAALHUIGPSALY-NQIIRXRSSA-N 434.378 5.005 30 10 IKEE C#CC[C@@H](C[C@@H](NCC)c1ccc(Br)cc1I)C1CC1 2207273087 RLPMGIMEJCMDDF-SUMWQHHRSA-N 446.170 5.144 30 10 IKEE CC1(C)OB(c2cscc2CN(CCC(F)(F)F)Cc2ccccc2)OC1(C)C 2211147885 ZGBJRQSNZDCYOD-UHFFFAOYSA-N 425.325 5.002 30 10 IKEE C[C@H](Nc1ccc(Br)cc1I)c1ccc(C#N)cc1 2231657133 TWHFUPKABIZKCP-JTQLQIEISA-N 427.083 5.098 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)[C@@H](C[C@@H](C)CC)NC(=O)OC(C)(C)C 2235727230 KBDYIERRHHZDPS-PWIZWCRZSA-N 437.422 5.108 30 10 IKEE CCCCC#CC[C@@H](NC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237432229 UZERMGSYGDDVRE-UXHICEINSA-N 437.422 5.057 30 10 IKEE Cc1csc(C(=O)N(Cc2ccccc2)C2CCCCC2)c1B1OC(C)(C)C(C)(C)O1 2255634483 RPMYDIYPEQIACN-UHFFFAOYSA-N 439.430 5.331 30 10 IKEE C=CCC1([C@@H](NCC)c2cccc(Cl)c2Br)CN(C(=O)OC(C)(C)C)C1 2272014039 PEDQTTRILQQGEU-KRWDZBQOSA-N 443.813 5.566 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc(CCC(=O)C#Cc2ccc(Br)cc2)c1 2296286076 HSDGWRRAEHHPNL-UHFFFAOYSA-N 428.326 5.350 30 10 IKEE CCOc1cc(C=C2SC(=Nc3ccc(OC)cc3)N(CC(C)C)C2=O)ccc1O 2297462722 CCIADQUOKKTSCR-UHFFFAOYSA-N 426.538 5.060 30 10 IKEE CC(C)=CCCC(C)=CCCC(C)=CCC[C@@](C)(O)CCC1=C(C)C(=O)C(C)=C(C)C1=O 2297748847 LNOVHERIIMJMDG-GDLZYMKVSA-N 440.668 7.522 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 2302797198 YJCGIINLSAQFSH-OTWHNJEPSA-N 449.979 5.667 30 10 IKEE O=C1C(=Cc2c(Cl)cccc2Cl)Oc2cc(OCc3ccccc3Cl)ccc21 2314438080 GUBGACDGOSEULU-UHFFFAOYSA-N 431.702 6.842 30 10 IKEE C[C@H]1CCc2c(C#N)c(NC(=O)C=Cc3ccc(Cl)cc3Cl)sc(=S)c2C1 2314793092 MALHNQRHKLUVGW-NSHDSACASA-N 435.401 6.433 30 10 IKEE Cc1ccc(CSc2nnc(C)n2N=Cc2cc(Cl)c(OC(C)C)c(Cl)c2)cc1 2318574390 JWYICVBEEHRZRL-UHFFFAOYSA-N 449.407 6.163 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 2319204207 NOIGHAQGTHFNJY-IRFCIJBXSA-N 443.588 5.712 30 10 IKEE O=[N+]([O-])c1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CC2)cc1 2320869745 GUQJZPSIESKBRB-UHFFFAOYSA-N 429.505 5.391 30 10 IKEE CCOCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(Cl)c(Cl)c1)C3=O 2322145873 PKJMYLNOBGSNNS-UHFFFAOYSA-N 448.346 5.497 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)NC2CCCCC2)cc1C 2322415517 FGEIUARIHXZHOS-UHFFFAOYSA-N 441.955 5.381 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1c(OCC(=O)OCC(C)C)ccc2ccccc12 2322638505 NHICQDLBKGGBDD-UHFFFAOYSA-N 432.516 5.631 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2c(OCCc3ccccc3)ccc3ccccc23)cc1 2322684165 BDGMRTMFKYALPJ-UHFFFAOYSA-N 434.579 7.655 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1 2322845600 WOFYSCOCPIAXCV-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2ccccc2)cc1C 2322999092 DMVRNPAARFUTAB-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3ccc(CC)cc3)c2)cc1 2323078541 HRNCJAOQCFEJBY-UHFFFAOYSA-N 441.571 6.505 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1cc(C)c2c(c1)OC(=Cc1cccs1)C2=O 2323176710 BDKJMTDLVBOYGE-UHFFFAOYSA-N 434.513 5.746 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1Cl)Nc1ccccc1F 2323790445 GLBYHLZUBJJLGE-UHFFFAOYSA-N 444.289 6.046 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1cccc(F)c1 2323791521 QUIQHOZBWQKCNU-UHFFFAOYSA-N 445.317 7.006 30 10 IKEE COc1ccc(-c2csc(NN=Cc3ccc(OC(C)C)c(OC)c3)n2)cc1OC 2323865855 KXRJRQYNHOHVGQ-UHFFFAOYSA-N 427.526 5.069 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc([N+](=O)[O-])c1OCc1cccc(C)c1 2323983497 PEYYPDKWBYHSDX-UHFFFAOYSA-N 449.478 6.225 30 10 IKEE Cc1cc(OCCCc2ccccc2)cc2c1C(=O)C(=Cc1c(Cl)cccc1Cl)O2 2324281065 XHTXCOCUXNRIIG-UHFFFAOYSA-N 439.338 6.930 30 10 IKEE CCOc1ccccc1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccc(C)o1)C2=O 2324331372 OLOZJJGNXGDTOZ-KRWDZBQOSA-N 447.487 5.317 30 10 IKEE N#C[C@@H](C(=O)C=Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(F)cc2F)cs1 2324465079 XBEIYEFITBTWCM-AWEZNQCLSA-N 435.282 6.285 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OCc2c(F)cccc2Cl)cc1 2324504770 AIXROXCWLWPKJD-UHFFFAOYSA-N 445.317 6.925 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc(OCCCOc3cccc(C)c3)c2C)C1=O 2324567661 FSFAGXLKNIXXJZ-UHFFFAOYSA-N 444.527 6.166 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OCc2c(F)cccc2Cl)cc1 2324693585 PYSCWOGTORWWSQ-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE CC(=O)c1cccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C)o2)C3=O)c1 2324834483 JYUOBAYTGICFBY-KRWDZBQOSA-N 445.471 5.121 30 10 IKEE CCCCCCCCCOc1ccc2c(c1)OC(=Cc1ccccc1OC(F)F)C2=O 2325185285 DUEZAAGDRRDTKT-UHFFFAOYSA-N 430.491 7.034 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(CCc2ccccc2)n1N=Cc1ccco1 2325468023 GPYJNAMWESBPEV-UHFFFAOYSA-N 440.931 5.623 30 10 IKEE CCCCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1cccc(C)c1 2325530368 NJLKXMKWADXJNR-UHFFFAOYSA-N 433.408 6.410 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1cc(OC)ccc1OC 2325571609 PBCJNVOESIYCJV-UHFFFAOYSA-N 430.961 5.076 30 10 IKEE CCCOc1c(C=Nn2c(CC)nnc2SCc2ccccc2Cl)cccc1OC 2325603463 MRZRAHPCZVEWDF-UHFFFAOYSA-N 444.988 5.466 30 10 IKEE CCCOc1c(C=Nn2c(CC)nnc2SCc2cccc(Cl)c2)cccc1OC 2325610450 LXMNSBVCRXJOCK-UHFFFAOYSA-N 444.988 5.466 30 10 IKEE CCOc1ccc(C=CC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OCC 2325642670 GZNYROOOEXQEKC-UHFFFAOYSA-N 445.515 5.284 30 10 IKEE CCCCc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2)C3=O)cc1 2325719896 VTVKRLVPEXALIU-UHFFFAOYSA-N 441.527 5.971 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(F)cc2F)c1)c1cccc(Br)c1 2325721109 OGJSWXWOIUOGEJ-UHFFFAOYSA-N 443.243 5.843 30 10 IKEE CCc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2OC)C3=O)cc1 2325722687 FVJBMXHHUCBUNL-UHFFFAOYSA-N 443.499 5.200 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2)cc1OC(=O)c1ccc(-c2ccccc2)cc1 2325731023 JXJVGMSISAAHRZ-UHFFFAOYSA-N 434.491 6.478 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)CCCOc3ccccc3)c2)cc1F 2325748626 JYHFJSTXVANHPK-UHFFFAOYSA-N 434.463 5.495 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc1OC(=O)C(F)(F)F 2325752075 GWUKRNBMOWUUKR-UHFFFAOYSA-N 436.426 5.365 30 10 IKEE Cc1nc2ccc(C(=O)Oc3cccc(C=CC(=O)c4ccc(F)c(F)c4)c3)cc2nc1C 2325753517 HVILPVLWHXYXSW-UHFFFAOYSA-N 444.437 5.640 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2cccc(OC(=O)Cc3ccccc3)c2)cc1Cl 2325766777 PUBNKLBOJRSMSE-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE CCCCCOc1ccc(C=Nn2cnnc2SCc2ccccc2Cl)cc1OC 2326532803 JNNURGCWKVJDBL-UHFFFAOYSA-N 444.988 5.684 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2C)n1N=Cc1ccc(OCC)cc1 2327114956 GCGFQLBZNWNXRO-UHFFFAOYSA-N 438.597 5.381 30 10 IKEE CCCCOc1ccc(C=Nn2c(COc3ccccc3Cl)nnc2SCC)cc1 2327635789 DJEWRSBECILUJJ-UHFFFAOYSA-N 444.988 5.684 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1ccc(C(C)(C)C)cc1 2328790094 LUXAVCJWRXXMFB-UHFFFAOYSA-N 448.636 6.322 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(Cc3ccc(Cl)cc3)nnc2SCCCO)cc1 2329130476 KWLBROOKXJQLSJ-UHFFFAOYSA-N 443.016 5.177 30 10 IKEE Cc1cccc(C=Nn2c(SCc3cccc(F)c3)nnc2-c2ccccc2Cl)c1 2329553151 XTQCKKXXQOTUAI-UHFFFAOYSA-N 436.943 6.221 30 10 IKEE Cc1cccc(C=Nn2c(CCc3cccs3)nnc2SCc2ccccc2F)c1 2329665499 OBJMFWJZUCUNQR-UHFFFAOYSA-N 436.581 5.747 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2c[nH]c3ccccc23)cc1 2329992648 IPWRXWKVHBHKGI-UHFFFAOYSA-N 437.572 5.833 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(CCc2ccccc2)n1N=Cc1ccc[nH]1 2330221370 JZGAYTRBQGEPOI-UHFFFAOYSA-N 439.947 5.358 30 10 IKEE Fc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2-c2cccs2)cc1 2330596730 VMHCMKLOHMXRCP-UHFFFAOYSA-N 444.560 6.473 30 10 IKEE O=[N+]([O-])c1ccccc1C=Nn1c(SCCc2ccccc2)nnc1-c1ccccc1 2330675038 UXEYRUJSQMFZKS-UHFFFAOYSA-N 429.505 5.070 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(OC)c1OC(=O)C1CCC1 2330675053 ZJWWXYGQQHVMPC-UHFFFAOYSA-N 426.512 6.179 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3F)c([N+](=O)[O-])c2)cc1 2330750019 GMJJTIBAGIOTON-UHFFFAOYSA-N 437.398 5.551 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)cc([N+](=O)[O-])c1OC(=O)c1ccccn1 2330761559 MCXOEQPTTQJSLQ-UHFFFAOYSA-N 446.459 5.066 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)ccc1OC(=O)COCc1ccccc1 2330765567 WTTICPCXYLHOKF-UHFFFAOYSA-N 444.527 5.666 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2ccc(C)cc2)cc1 2331037196 VIRBXEDSJPCXCO-UHFFFAOYSA-N 447.608 5.420 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 2331200509 GBFFGSDBIGNADE-UHFFFAOYSA-N 435.407 5.248 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3Cl)c(OC)c2)cc1 2331211293 FGMKZLJFVUPBOQ-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)Cc1ccc(C)cc1 2331255952 JEMXRHVCHBWIMN-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)c1sccc1C 2331318706 SFZSODPCYWWTOG-UHFFFAOYSA-N 436.529 5.806 30 10 IKEE C[C@H](C(=O)Oc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1Cl)c1ccccc1 2331416057 KRPWENZXXLFYSG-IBGZPJMESA-N 446.974 7.243 30 10 IKEE C=C(C)CSc1nnc(CC(C)C)n1N=Cc1ccc(OCCCC)c(OCC)c1 2331452162 MVOJIZVQCNOTDV-UHFFFAOYSA-N 430.618 5.605 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)c1ccncc1 2331499967 JWAWHDPCFIJYBB-UHFFFAOYSA-N 449.934 6.372 30 10 IKEE O=C(Cc1ccccc1F)Oc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] 2331562163 NCPNJUZYURIYRK-UHFFFAOYSA-N 441.361 5.056 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2OC)c1 2331715479 VEXAJSKZUYSGHW-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE CC1(C)OB(C=Cc2ccc(Nc3cccc(Cl)c3Br)nc2)OC1(C)C 2365108852 ZWDXDUAOMWYVOC-UHFFFAOYSA-N 435.558 5.886 30 10 IKEE CC(C)(C)OC(=O)N[C@]1(C)C[C@H]2CC[C@H]1C[C@H]2Nc1ccc(C#N)cc1Br 2380855856 KZDRCPYABQIFJP-QKSJRXBFSA-N 434.378 5.205 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)Nc3cccc(F)c3)=C(C)NC3=C2C(=O)CCC3)cc1 10013554 YLLVITODJAWYSI-RUZDIDTESA-N 447.554 5.279 30 10 IKEE Cc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC(C)C)cc2)C3)c1 21242658 ZSEMWDAUPJCYNF-PZGXJGMVSA-N 438.571 6.762 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(F)c2)cc1 21252120 IEZURXSMVYEDMV-UZTOHYMASA-N 428.507 6.204 30 10 IKEE COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(Cl)ccc2O)cc1 21256346 DJUMLIDDNWNZOB-DXPJPUQTSA-N 446.934 6.034 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)c(Cl)c2)SC1=S 33424513 FMCNZGJMNDMYCL-WOJGMQOQSA-N 436.385 5.960 30 10 IKEE C=CCOc1cccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccccc2)c1 39825680 LXQCKUBKZOTFSD-XMMPIXPASA-N 441.458 5.242 30 10 IKEE Cc1occc1C(=O)Nc1cccc(C(=O)/C=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 39850962 PINMZORGXTZJFH-CSKARUKUSA-N 442.427 5.905 30 10 IKEE CCOc1cc(/C=C2\S/C(=N/c3cccc(C)n3)N(c3ccccc3)C2=O)ccc1O 39863567 XITRAUTWLDBAMK-SYUAUQEVSA-N 431.517 5.303 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4cc5ccccc5o4)c3C)C2=O)cc1 41352463 HWHXNKHKBWKDAX-XKZIYDEJSA-N 426.424 5.585 30 10 IKEE Cc1cc(OC(=O)Cc2ccccc2)cc2c1C(=O)/C(=C/c1ccc(-c3ccccc3)cc1)O2 41355847 VFTABZVLMZDDEO-PKAZHMFMSA-N 446.502 6.426 30 10 IKEE CC(/C=C1\S/C(=N/N=C\c2ccc(F)cc2)N(Cc2ccco2)C1=O)=C\c1ccccc1 47137983 UJKPMUGWBHKUAV-MLUFDKFPSA-N 445.519 5.872 30 10 IKEE Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)Nc1cccc(OCCCC#N)c1 59770411 ZPFUMASIMQBAGN-VAWYXSNFSA-N 438.890 5.308 30 10 IKEE C=CCOc1cccc(NC(=O)CNc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)c1 66072239 CDKZKHDNGVJAQG-UHFFFAOYSA-N 441.959 5.018 30 10 IKEE CCCCCCCOc1ccc(NCC(=O)Nc2cccc(OC[C@H]3CCCO3)c2)cc1 100077578 GVIHOHNSTLSFSQ-RUZDIDTESA-N 440.584 5.644 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1cccc(C(=O)NCC)c1 100444228 ALNUUDQIEMFGRM-UHFFFAOYSA-N 433.662 5.950 30 10 IKEE CCCCCCCCc1c(C)nn(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1C 100458789 KLWWNRWQPCATRJ-QGZVFWFLSA-N 425.400 6.817 30 10 IKEE Cc1nc(N2C(=O)C(=O)/C(=C(\O)c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)sc1C 103113099 ZJTZTVJBQOBHSS-LYHOESIGSA-N 442.899 5.179 30 10 IKEE O=C1/C(=C\c2cccc(Br)c2)CCCC/C1=C/c1cccc(Br)c1 108687130 CNSXFVWMPXOOIB-WHYMJUELSA-N 446.182 6.822 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\Nc2cnn(C)c(=O)c2Cl)cc1Cl 169894548 CSNVOHWJWBRLSD-OYKKKHCWSA-N 439.387 5.663 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2Cc2cccs2)c1 169928346 OAULNXZCSONBEZ-JOCHJYFZSA-N 444.512 5.017 30 10 IKEE CCCN1C(=S)N[C@H](c2c(OCc3ccccc3)ccc3ccccc23)C(C(C)=O)=C1C 169930427 AKDOPGOSRDHNIG-SANMLTNESA-N 444.600 5.923 30 10 IKEE CCN1C(=S)N[C@H](c2c(OCc3ccc(F)cc3)ccc3ccccc23)C(C(C)=O)=C1C 169933404 IMEDXUHZVIKNBT-VWLOTQADSA-N 448.563 5.672 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccc(C)cc2)c1 169934668 SZWKSQMOKUUHPY-DEOSSOPVSA-N 439.467 5.533 30 10 IKEE O=C1CCCC2=C1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)NC(=S)N2 169938955 AGCIBYFAJZYZKP-FQEVSTJZSA-N 433.360 5.098 30 10 IKEE COc1cccc(/C=N\Nc2nc(-c3ccc(C)cc3)cs2)c1OCc1ccccc1 169942742 BGINKIDDGPGUCP-YSMPRRRNSA-N 429.545 6.152 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2cccs2)c(C)c1 169983728 HKQNYZOAPDEHBL-HXUWFJFHSA-N 441.455 5.126 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2cccs2)c1 169985308 RJKSJOVYGSDKGH-HXUWFJFHSA-N 439.920 5.583 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(F)ccc3OC)[C@@H]2c2ccccc2)cc1 170052875 XSMKVJFONVSLHV-QHCPKHFHSA-N 447.462 5.016 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(F)cc2)cc1 170063534 CLRDBXOVVJFUJO-QHCPKHFHSA-N 438.414 5.226 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2cccc(O)c2)cc1 170081966 CSTMXIDTWRVKBS-VWLOTQADSA-N 446.462 5.200 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccccc2C)c1 170087118 NPDKCLNEMMBSTR-VWLOTQADSA-N 440.543 5.461 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccc(N(CC)CC)cc1 170138606 CZLOFDZUJJOZSF-QHCPKHFHSA-N 431.536 5.002 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1cccc(C)c1 170142647 AWZLZLDILFXGAT-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(F)ccc3OC)[C@H]2c2cccs2)cc1 170157141 ZGHGTPMOXPJJSD-OAQYLSRUSA-N 437.492 5.241 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@H]1c1cccs1 170157976 ARMRHBDGWVATTQ-QFIPXVFZSA-N 447.556 5.773 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)(C)C)c2)[C@H]1c1ccccn1 170180317 XWBHYHNHELNUFS-JOCHJYFZSA-N 436.552 5.156 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@@H]1c1cccc2ccccc12 170220738 FHYZTSQMLHRYSO-DEOSSOPVSA-N 443.543 5.844 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@H]1c1ccc(F)cc1 170243672 YNJOTXVEAOGJLA-HXUWFJFHSA-N 431.891 5.256 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccccc1F)c1ccc(Cl)c(Cl)c1 170250553 PWIRIYATEOBDCW-IBGZPJMESA-N 446.261 5.504 30 10 IKEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(C4CCCCC4)[C@H]3c3ccccc3F)ccc2O1 170251733 SCIISRPDDRVJTJ-CMJOXMDJSA-N 435.495 5.060 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1c1ccccc1C 170273211 WZMCRMFGLPHXRY-AREMUKBSSA-N 433.507 6.240 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2OC)[C@H]1c1c(C)[nH]c2ccccc12 170311953 YHQRALGKCLLXGX-HSZRJFAPSA-N 432.520 5.172 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cccc(OC)c2)c1 170329347 SKCUNTUWUGYILM-JOCHJYFZSA-N 449.528 5.328 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccc(Cl)c(Cl)c1)c1ccco1 170379693 LRHUSAMFTIFDOR-SFHVURJKSA-N 432.234 5.508 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Br)cc2)o1 170402597 MWMZQHXNMLNXGP-LJQANCHMSA-N 438.277 5.133 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1 170427576 BUXIRFAEJVXNSV-LJQANCHMSA-N 443.377 5.090 30 10 IKEE CC1(C)O[C@@H]2C(=O)C=C(COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H]2O1 196903463 ZOTQCHXKLQHNIE-IZZNHLLZSA-N 426.512 5.024 30 10 IKEE CCCCN1C(=O)/C(=C2\Sc3ccccc3N2CC)SC1=Nc1ccc(C)cc1C 254446255 HHGWGMCWHDRVFN-CSFSZXLXSA-N 437.634 6.468 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(F)cc1Br)NCCC 407003110 WCZQOBAGSIEDTD-MOPGFXCFSA-N 443.401 5.358 30 10 IKEE C=C(COCCC)[C@@H](NCCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 407155627 LFQAOEFVGRCUMU-LJQANCHMSA-N 441.410 5.820 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccs2)cc1OC 526490113 ZLJRLQRXMYAZND-HSZRJFAPSA-N 446.528 5.474 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 526515276 JKKNOPIZTFHMQF-RUZDIDTESA-N 438.527 5.922 30 10 IKEE CC(C)COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccccn2)cc1 526603612 ALOWAVYGKTYSEZ-DEOSSOPVSA-N 425.488 5.045 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1cccc(Br)c1 526743486 HYYCFEZIFBUJEH-OAQYLSRUSA-N 448.316 5.540 30 10 IKEE CCCOc1ccc(/C=N\n2c(CCC)nnc2SCc2ccccc2F)cc1OC 526802567 GOYHYWMZLXJBEQ-MYYYXRDXSA-N 442.560 5.342 30 10 IKEE Cc1ccc(CSc2nnc(C)n2/N=C\c2ccc(OC(=O)c3ccccc3)cc2)cc1 526804526 WQAAGQVQXXKASK-QQXSKIMKSA-N 442.544 5.289 30 10 IKEE COc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccc(C)cc2)cc1O 526805225 IXAIQDUIZAQHRM-QQXSKIMKSA-N 444.560 5.066 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1cccc(Br)c1 526809317 ZVMDPCBUJCHWFP-XKZIYDEJSA-N 429.387 5.476 30 10 IKEE CCc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccc(N(CC)CC)cc1 526816339 CVIOOXQMSKGFJU-IWIPYMOSSA-N 428.005 5.515 30 10 IKEE C=CCN(CC=C)C(=O)Nc1cccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)c1 586672933 ICEZDWIOLWKSFB-UHFFFAOYSA-N 426.520 5.131 30 10 IKEE C[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)CCN1C(=O)OC(C)(C)C 698850457 JPHNDEQANMOYGN-WAIKUNEKSA-N 449.979 5.763 30 10 IKEE CCCCCCCCOc1ccc(C=NN=C(C(=O)c2ccccc2)c2ccccc2)cc1 886005273 BQHOXFYKSAMEHS-UHFFFAOYSA-N 440.587 7.132 30 10 IKEE CCC(C)=NNc1nc2cc(C)c(NC(=O)c3ccccc3Br)c(C)c2s1 1081377955 PNCYRPRRWJRQSU-UHFFFAOYSA-N 445.386 6.126 30 10 IKEE C=CCOC(=O)/C=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 1084505423 YTRJMHBMNVPONQ-DAXSKMNVSA-N 427.711 5.977 30 10 IKEE CCCCCCCCOc1ccc(Cl)cc1C=c1sc2nc3ccccc3n2c1=O 1084505986 GDBZHYZUKSWTEP-UHFFFAOYSA-N 440.996 5.850 30 10 IKEE C#Cc1ccc(NC(=O)[C@@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)cc1 1134901243 YFIXHVQIXOSXIN-OAHLLOKOSA-N 445.569 5.306 30 10 IKEE Cc1nc(NCC(=O)Nc2cc(C#N)c(F)cc2C)c2cc(-c3ccccc3)sc2n1 1455443778 HVKYJZNTALKXRJ-UHFFFAOYSA-N 431.496 5.037 30 10 IKEE C=CCN1C(=O)[C@H](Cc2ccc(Cl)c(Cl)c2)SC1=Nc1ccc(C(=O)O)cc1 1772727850 BJNAAHZPXNIOMX-KRWDZBQOSA-N 435.332 5.052 30 10 IKEE CCN1C(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)SC1=Nc1ccccn1 1772730857 FEEPCHFXMHZGMJ-QGNOBFDASA-N 449.963 5.938 30 10 IKEE CCN1C(=O)/C(=C(/C)c2ccc(C)c(C)c2)SC1=Nc1nc(-c2ccccc2)cs1 1772738871 RNIKORPMDKISIE-WNCRVSRCSA-N 433.602 6.441 30 10 IKEE CCOc1cc(/C=C2\SC(=Nc3cccc(C)n3)N(c3ccccc3)C2=O)ccc1O 1772739586 XITRAUTWLDBAMK-POLMPROESA-N 431.517 5.303 30 10 IKEE C[C@@H]1CCc2c(sc3nc(-c4ccccc4Cl)n(Cc4cccc(C#N)c4)c(=O)c23)C1 1857802651 DSYQOXIEYRGEKJ-OAHLLOKOSA-N 445.975 5.823 30 10 IKEE Cc1cccc(-n2cc(/C=N\NC(=S)Nc3ccccc3)c(-c3ccc(F)cc3)n2)c1 1857808528 BIVUIAVLMKGLMT-YSMPRRRNSA-N 429.524 5.307 30 10 IKEE N#Cc1cccc(C(=O)Nc2cc(NC(=O)COc3ccccc3Cl)ccc2Cl)c1 1860450263 JLKMILRAHYDYPF-UHFFFAOYSA-N 440.286 5.135 30 10 IKEE N#Cc1ccccc1NC(=O)c1cccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)n1 1860563395 VXVDZOPFYHVSHN-PKNBQFBNSA-N 437.286 5.164 30 10 IKEE O=C(/C=C/c1ccc(Br)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 1860725226 AROUPMDRGKTTTJ-OVCLIPMQSA-N 436.305 5.249 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)Cc1cc(Cl)ccc1SC 1860973829 JVTHQOWAOMEANK-HXUWFJFHSA-N 441.081 5.756 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc2nc[nH]c2c1 1861751798 BWIRZUTXRLEZOB-RUZDIDTESA-N 448.611 5.161 30 10 IKEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(C(C)C)cc1 1862380545 FSQMDSISMDWVKO-HXUWFJFHSA-N 448.346 5.342 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2cccc(F)c2)cc1 1862444579 BIFNURWWTWRLJV-QHCPKHFHSA-N 449.909 5.609 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2ccccc2F)cc1 1862473994 IXURCZOOLIJISS-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)cc1 1862501721 IWNZHJNXCTZXNI-XTZPKPCCSA-N 435.539 5.854 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862509386 GXCPEUQKOXHGER-SBUREZEXSA-N 439.527 5.690 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(C)cc1 1862533011 JLJMMEVUENTOQC-XMMPIXPASA-N 435.564 5.343 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C23CC4CC(CC(C4)C2)C3)cc1 1862589861 VTZRVUMCKNRSKV-RZNVFEIWSA-N 443.543 5.248 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(C(C)C)cc1 1862664843 SKMSJHGBCHGMPA-VWLOTQADSA-N 449.591 5.937 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc2c(c1)OCCO2 1862666402 CVEDBVZYNIYZAW-DEOSSOPVSA-N 449.547 5.350 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc2ccccc2c1 1862718381 ZEVRNQLACZGSEL-QHCPKHFHSA-N 442.471 5.269 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccc(C)c1 1862722237 OLPMQFONLRMXTB-VWLOTQADSA-N 425.528 6.040 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2CCC(C)C)cc1 1862722677 WTGXXXRJVNMCPY-SANMLTNESA-N 439.555 6.286 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C(C)(C)C)cc3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862905343 ISRLZFKKOORSLP-UHFFFAOYSA-N 435.527 5.561 30 10 IKEE Cc1cc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc4ccccc4c3)C2=O)ccc1F 1863089551 ULCFYSYYGZTPKM-UHFFFAOYSA-N 447.469 5.556 30 10 IKEE Cc1cc(C2=C(Nc3ccc4ccccc4c3)C(=O)N(c3ccccc3C#N)C2=O)ccc1F 1863100440 OBMJBZVHOFMCPA-UHFFFAOYSA-N 447.469 5.556 30 10 IKEE N#Cc1ccccc1N1C(=O)C(Nc2ccc(Cl)cc2Cl)=C(c2cccs2)C1=O 1863119709 BRQMAAFWDKJZCR-UHFFFAOYSA-N 440.311 5.323 30 10 IKEE C=CCN1C(=O)C(Nc2cccc(N(CCC)CCC)c2)=C(c2cc(C)ccc2C)C1=O 1863406038 MZBUVOPYVBCVNG-UHFFFAOYSA-N 431.580 5.308 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(C)cc2)C(=O)N(Cc2cccs2)C1=O 1863612688 HKXGWEXJEYABAV-UHFFFAOYSA-N 438.637 6.067 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H](C)c2ccccc2)=C(c2ccc(F)c(C)c2)C1=O 1863792288 ZZNHOPXIJCMHST-FQEVSTJZSA-N 436.571 5.925 30 10 IKEE CC(C)[C@@H]1c2ccccc2CCN1c1cc(Nc2ccccc2C#N)nc(-c2cccnc2)n1 1868572664 QCOMQLAOBLALFO-HHHXNRCGSA-N 446.558 5.914 30 10 IKEE CCCCCCCCCCn1cc(OCc2ccc(CC)cc2)c(=O)cc1CN(C)C 1870467117 OKIKOBRYNIWEKI-UHFFFAOYSA-N 426.645 6.192 30 10 IKEE C=CCn1cc(OCCCCC)c(=O)cc1CN(Cc1ccccc1)Cc1ccccc1 1870676365 KQYMHFZJQKBUOQ-UHFFFAOYSA-N 430.592 5.806 30 10 IKEE C=CCOc1cn(Cc2cccc(C)c2)c(CNc2ccc(OC(F)(F)F)cc2)cc1=O 1870809772 VDTYECZDWPBLJG-UHFFFAOYSA-N 444.453 5.281 30 10 IKEE CCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc2cc[nH]c2c1 1871254414 VTRZQEYZQLFACS-UHFFFAOYSA-N 440.547 5.583 30 10 IKEE CCc1ccc([C@@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2ccccc2Cl)C4=O)cc1 1871354676 XKIGMIUFFJJYMZ-YMKHCOABSA-N 445.946 6.432 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc(OC(=O)c3ccc(C)c(C)c3)c2C)C1=O 1871372523 WPLCRDYOLLPPCZ-IWIPYMOSSA-N 428.484 5.846 30 10 IKEE Cc1ccccc1OCCCCOc1ccc2c(c1C)O/C(=C\c1ccccc1Cl)C2=O 1871404364 KFLNFSHIUYUCCF-UQQQWYQISA-N 448.946 6.811 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OCCOc4cccc(C)c4)c3C)C2=O)cc1OC 1871407937 RBVNNDLXQBRERE-XYGWBWBKSA-N 446.499 5.395 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2cccs2)C3=O)cc1 1871412161 VKESSDJJSDWTDS-LRSOKBAUSA-N 433.529 5.641 30 10 IKEE Cc1cc(C)c(COc2ccc3c(c2C)O/C(=C\c2ccc(N(C)C)cc2)C3=O)cc1C 1871423495 UAWRXOVCOCYWKV-YSMPRRRNSA-N 427.544 6.181 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(C)o1)C2=O 1871429122 IULIFJMXJPSBGN-IDCRMVTHSA-N 426.509 5.794 30 10 IKEE CCCCCCCCCOc1ccc2c(c1C)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 1871429520 KBLJMMPHNWBOQN-KQWNVCNZSA-N 447.402 8.047 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C)cc4Cl)ccc3C2=O)c1 1871435930 HCDLKPNHHOGQKC-FMCGGJTJSA-N 449.890 5.291 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCCc4ccc(OC)cc4)cc(C)c3C2=O)cc1 1871448276 NKNWWGLWOWCRAK-XYGWBWBKSA-N 430.500 5.640 30 10 IKEE COc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871456875 BPQKKBGLHIWRLY-XKZIYDEJSA-N 449.890 5.291 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(CCCC)cc1)C(C)C)S(=O)(=O)c1ccc(F)cc1 1871818103 CUTYIMZDWGLFLM-QHCPKHFHSA-N 446.588 5.008 30 10 IKEE CCCCCCCCCCNC(=O)Cc1nonc1OCc1c(F)cccc1Cl 1872640946 RIUBYYAMJRZQHB-UHFFFAOYSA-N 425.932 5.241 30 10 IKEE COc1cc(OC)c(-c2csc([C@H](C#N)C(=O)Cc3cc(C)ccc3C)n2)cc1Cl 1872782085 CVZIPGSQNCZYFE-QGZVFWFLSA-N 440.952 5.517 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@H](C#N)C(=O)/C=C/c2cccc(Cl)c2)n1 1872788930 UNCFPKCSTNICQP-QQOXCAACSA-N 429.328 6.015 30 10 IKEE CCCCCCCCN1C(=O)C(NC2CCCCCCC2)=C(c2cc(C)ccc2C)C1=O 1873150938 RIAXYBNTXWXPDC-UHFFFAOYSA-N 438.656 6.446 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)Nc1cc(C)ccc1C)n2C 1873629282 URSMAYNNJKGKBZ-UHFFFAOYSA-N 435.616 6.390 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1cccc(C(F)(F)F)c1)n2CCC 1873657063 VUFFJEIXCNOMGQ-UHFFFAOYSA-N 443.473 5.291 30 10 IKEE CCCCCCCCCCNC(=O)COc1cc2oc(=O)cc(CCC)c2cc1Cl 1873936285 CZFNXQKBNPVNNP-UHFFFAOYSA-N 435.992 6.035 30 10 IKEE Cc1ccc(CSc2nnc(CCCOc3ccccc3C)n2/N=C/c2ccco2)cc1 1874249219 RTBDZIHRJCHMIY-YZSQISJMSA-N 446.576 5.674 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccccc3C)n2/N=C/c2ccco2)CC1 1874285970 ITTSNZCBJMZACL-YZSQISJMSA-N 436.625 6.818 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CCc2cccc(OC)c2)nnc1SCCC 1874310819 PDFLCEROQZZYBW-XIEYBQDHSA-N 436.581 5.021 30 10 IKEE Cc1ccccc1CCc1nnc(SCCc2ccccc2)n1/N=C/c1ccc(O)cc1 1874361850 AAOQVTVIDMWGBG-ZXVVBBHZSA-N 442.588 5.294 30 10 IKEE Fc1ccc(/C=N/n2c(CCc3cccs3)nnc2SCc2ccccc2)c(F)c1 1874371553 FOJIZXRKDZMPNF-AFUMVMLFSA-N 440.544 5.578 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3ccccc3C)nnc2[C@@H](C)c2ccccc2)c1 1874392340 JIBFDCLWOOQIBG-XLKFHUSGSA-N 426.589 6.221 30 10 IKEE Cc1ccc(CSc2nnc([C@H](C)c3ccccc3)n2/N=C/c2ccc(Cl)cc2)cc1 1874392926 YNBSVFAHJFXTCU-BWJYWGHISA-N 447.007 6.566 30 10 IKEE Cc1ccsc1/C=N/n1c(SCc2cccc(Cl)c2)nnc1-c1cccs1 1874424609 UGXUIMCIKLVADK-SRZZPIQSSA-N 431.011 6.204 30 10 IKEE CCCSc1nnc(C(F)(F)F)n1/N=C/c1ccc(OCc2ccc(C)cc2)cc1 1874462110 MPSRRQPHNPNFGP-DHRITJCHSA-N 434.487 5.569 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccccc1Cl 1874511160 NBKBCUMRMXNREO-FOKLQQMPSA-N 439.799 6.365 30 10 IKEE CCCCC1CCC(c2nnc(S)n2/N=C/c2cccc(OCc3ccccc3)c2)CC1 1874563665 QISMYNFLDMNJAB-OVVQPSECSA-N 448.636 6.492 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c1OCC(=O)OCC(C)C 1874569801 HEHRPDVCPMMGBM-WUKNDPDISA-N 444.527 5.836 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Br)ccc2OCc2cccc(F)c2)cc1 1874579180 AQVAHROFHCCRCA-PKNBQFBNSA-N 425.297 6.372 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(C)ccc2C)c1OCC(=O)N[C@@H](C)c1ccccc1 1874580628 XXFRPOBSGOKBBS-ANUWBXLYSA-N 443.543 5.464 30 10 IKEE Cc1ccc(C)c(COc2ccc3ccccc3c2/C=C/C(=O)c2ccc(F)c(F)c2)c1 1874584950 JJFSCOCDENVKQY-ACCUITESSA-N 428.478 7.210 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Br)ccc2OCCc2ccccc2)cc1C 1874588561 SUONOQLOLYJUJB-ZRDIBKRKSA-N 435.361 6.584 30 10 IKEE CCCOC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1cc(Cl)ccc1Cl 1874591699 XSWIPKHMJHEGQN-XVNBXDOJSA-N 427.711 5.875 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OCC(=O)Nc1cccc(C)c1C 1874598884 KMXZZNZLGHSAON-JLHYYAGUSA-N 443.543 5.842 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(Cl)c1OCc1cccc(F)c1 1874602286 DKCVITFIPROXBX-FMIVXFBMSA-N 446.905 7.116 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(OC)c(C)c3)cc2)cc1 1874607123 CYANKXCUAPFTSX-OQLLNIDSSA-N 429.516 5.480 30 10 IKEE CCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1C 1874659296 YLPICZFXNXKGDQ-SANMLTNESA-N 447.623 5.571 30 10 IKEE Cc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(Br)cc3)c2)cc1C 1874696944 JONRHMFAMJGWQY-NTUHNPAUSA-N 435.317 6.181 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2)cc1OC(=O)c1ccc2nc(C)c(C)nc2c1 1874700780 MHHYBIXXQLVJCU-UKTHLTGXSA-N 438.483 5.371 30 10 IKEE CCOc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(OCC)cc3)c2)cc1 1874701355 OOKOCIBAGPQOET-CAOOACKPSA-N 446.499 5.365 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1[N+](=O)[O-] 1875099325 CCMSVHHXGHDDCP-FMIVXFBMSA-N 441.480 5.384 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)CCCCCCCC 1875129089 KMLXRENYZGPXOJ-VHEBQXMUSA-N 434.576 6.976 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 1875129161 NCRBTQDJVSJQPK-YRNVUSSQSA-N 427.283 6.117 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2OC)c(OC)c1 1875136387 MMBBEESGBARRPQ-NTUHNPAUSA-N 446.499 5.065 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2Cl)cc1 1875149901 NEICNIXVWSZSHT-XNWCZRBMSA-N 436.847 5.193 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2[N+](=O)[O-])cc1 1875156664 IDLRXWWTBQHWAI-VIZOYTHASA-N 443.499 6.396 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)CCc1ccccc1C 1875157224 TUDJETURPFRYFC-CXUHLZMHSA-N 442.555 6.561 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)CCCSC 1875166449 HNFIHQBHSQFPBF-FMIVXFBMSA-N 442.577 5.655 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3c(C)cc(C)cc3C)cc2)cc1[N+](=O)[O-] 1875182778 UQYVQSFUMPJNSO-YRNVUSSQSA-N 445.471 5.644 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)COc1ccccc1 1875184416 BSKRABPNGJZSKV-ZRDIBKRKSA-N 430.500 5.501 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@H](C#N)[C@]1(C)CCCN1C(=O)OC(C)(C)C 1880102088 PVURBNMGOFKVIL-CYFREDJKSA-N 429.561 5.105 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@](C)(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)cc1 1912168086 RNUZEHMVOAHWMS-NRFANRHFSA-N 430.509 5.320 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@@]1(C#N)Nc1ccc(Br)cc1 1924920274 KJFDSPBSOOWVDA-BTYIYWSLSA-N 434.378 5.228 30 10 IKEE COc1cc(C)ncc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 1927183540 YDDIIRIPOSFEOH-QGZVFWFLSA-N 432.318 5.168 30 10 IKEE C=C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)([C@H](CC(C)C)C(=O)O)C(C)(C)C 1927550263 KBHMLRAMFXQWDD-YWEHKCAJSA-N 449.591 6.243 30 10 IKEE CCc1cc(Br)c([C@H](C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)s1 1942130256 IDKOGUBHQCZGAR-NSHDSACASA-N 427.286 5.437 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)C(F)(F)C1CCN(C(=O)OC(C)(C)C)CC1 2004731445 ACOVZVVOSFHWBI-OAQYLSRUSA-N 438.559 5.020 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)[C@@H]2CC[C@H]21 2008459609 DIBXCBAQMGZBCP-KHCICDEESA-N 427.545 5.110 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2cccs2)s1 2033813360 PKNWFKSDGSPVMS-SFHVURJKSA-N 429.950 5.550 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CC(C)(C)[C@@H]2OCc2ccccc2)c1 2038722944 AAFNFAACMSRKPP-BKMJKUGQSA-N 436.552 5.714 30 10 IKEE Cc1cc(Br)sc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2039289429 BXESLIURHRTVRA-CQSZACIVSA-N 425.323 5.965 30 10 IKEE C=CCC[C@H](C)[C@H](NCCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2040523452 VSGWRZMPWTYNMD-UPVQGACJSA-N 443.676 5.516 30 10 IKEE CCC#CC[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCCC 2053827354 RSENWCUTFDBHGD-DEOSSOPVSA-N 441.660 5.108 30 10 IKEE CCCN[C@]1(C#N)C[C@H](C)C[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)C1 2055022915 HEWHZCPRPVIFDH-RYRVMRHHSA-N 432.656 5.071 30 10 IKEE C=CC[C@@H](C)[C@@H](NCCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071267564 QOWWRTFTDHGJEN-RNWIMVQKSA-N 429.604 7.098 30 10 IKEE Fc1cccc(C(F)(F)F)c1Cn1nc(C2CC2)c(Br)c1C(F)(F)F 2079023124 NOJSJIHLNOAQPO-UHFFFAOYSA-N 431.149 5.748 30 10 IKEE CC(C)(C)c1nn2c(Cl)cc(-c3cc(F)c(F)cc3Br)nc2c1C#N 2081420687 TYWAWSVCZXZNNV-UHFFFAOYSA-N 425.664 5.260 30 10 IKEE N#Cc1ccc(NCc2cc(Br)ccc2Br)c(Br)c1 2088092242 GQEJQUJHNIQORF-UHFFFAOYSA-N 444.952 5.458 30 10 IKEE N#Cc1c(F)cc(Br)cc1N[C@@H]1CN(Cc2ccccc2)C2(CCCC2)C1 2163695196 AVDBPEWXINILLM-SFHVURJKSA-N 428.349 5.459 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)C2=CC[C@@H](C(C)(C)C)CC2)c1 2181549358 FZXYMCDUYCIRJH-MRXNPFEDSA-N 436.390 6.751 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(NC(=O)OC(C)(C)C)cc2)cc(C)c1Br 2235622443 UDMHPZOTPXAXSJ-UHFFFAOYSA-N 430.342 6.309 30 10 IKEE CN[C@@H](CC=CC#CC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2248484152 ABCBOBRFMUQKFY-ACIOBRDBSA-N 428.617 5.069 30 10 IKEE CC(C)(C)OC(=O)N1CCCC(C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)CCC1 2257001900 SJFBPOVUGYBSIB-UHFFFAOYSA-N 447.551 5.641 30 10 IKEE C=C([C@@H](NCC)[C@@](C)(O)c1cc(Br)c(Br)s1)C(C)(C)C 2281232891 JZFIQXHOMKEIHH-DOMZBBRYSA-N 425.230 5.061 30 10 IKEE CCCCN1C(=O)C(=C2Sc3ccccc3N2CC)SC1=Nc1ccc(Cl)cc1 2295178731 SNGZFDAQFUHGRF-UHFFFAOYSA-N 444.025 6.504 30 10 IKEE CCN1C(=O)C(=C2Sc3ccc(OC)cc3N2CC)SC1=Nc1cccc(Cl)c1 2295213197 TXFSOHCSKBEXMR-UHFFFAOYSA-N 445.997 5.733 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(CC[C@@H](N)C#Cc2ccc(Br)cc2)cc1 2296305096 OWNQCMBWJRRRJV-IBGZPJMESA-N 429.358 5.108 30 10 IKEE CC1(C)[C@H]2CC[C@]1(C)C(=NNC1=NC(=O)C(=Cc3ccc(Br)cc3)S1)C2 2296970524 OSOWLGLZNFHGQW-RNODOKPDSA-N 432.387 5.211 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@H](C#N)[C@]12C[C@H](CCN1C(=O)OC(C)(C)C)C2 2306789519 AZUQEWUKCGTBBT-YJLYGGOZSA-N 427.545 5.110 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@H]2CC[C@H]1C[C@]2(C)NC(=O)OC(C)(C)C 2307593645 TVFNFGYZUMYFDJ-MBPAZGTNSA-N 435.609 5.245 30 10 IKEE Cc1cc2c(cc1C=C1SC(=NCc3ccccc3)N(Cc3ccccc3)C1=O)OCO2 2313563423 NYAFLDVDPMCYRV-UHFFFAOYSA-N 442.540 5.396 30 10 IKEE CN1C(=O)C(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=Nc1cccnc1 2314541120 FJMNOIFFDBXBAL-UHFFFAOYSA-N 430.316 5.882 30 10 IKEE CSC1(C#C[C@H](N)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCC1 2314628830 CUPGPKWUFNRWEA-VWLOTQADSA-N 443.612 6.134 30 10 IKEE CSC1(C#C[C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCC1 2314637371 VVLZSHZPYBRYOB-RUZDIDTESA-N 444.596 6.167 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1CSc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317312521 INPTYLMSMDQFQP-GOSISDBHSA-N 446.422 5.218 30 10 IKEE CCc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCCCN2CCCC2)C4)cc1 2322120518 HRMVOZBYNQRFST-UHFFFAOYSA-N 446.591 5.202 30 10 IKEE O=C(C=Cc1ccccc1OCc1nc(O)c2ccccc2n1)c1ccc2c(c1)CCCC2 2322328559 SSCNOPSQHCXSCM-UHFFFAOYSA-N 436.511 5.689 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2c(OCC(N)=O)ccc3ccccc23)cc1 2322760106 XGCMBSGKHRUHJI-UHFFFAOYSA-N 445.559 5.949 30 10 IKEE Cc1c(OC(=O)Cc2ccccc2)ccc2c1OC(=Cc1ccc(Br)cc1)C2=O 2322884754 MBDKDIZZUUAXNH-UHFFFAOYSA-N 449.300 5.522 30 10 IKEE CCOc1ccc(OCC(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccs2)C3=O)cc1 2323076066 BEBNDKYWNRAQSD-UHFFFAOYSA-N 436.485 5.056 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1cc(C)c2c(c1)OC(=Cc1ccc(F)cc1)C2=O 2323176782 IKTWIMFPFRUACX-UHFFFAOYSA-N 446.474 5.823 30 10 IKEE Cc1cc(OC(=O)c2cccc([N+](=O)[O-])c2C)cc2c1C(=O)C(=Cc1ccc(F)cc1)O2 2323260741 YMGNCAPSXKGJDK-UHFFFAOYSA-N 433.391 5.186 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(OC)c1OCc1ccc(F)cc1 2323395986 FHLXKBKFIBMPOY-UHFFFAOYSA-N 442.486 6.471 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(OC)c1OCc1cccc(F)c1 2323396093 SIQZDKGGJGIHFA-UHFFFAOYSA-N 442.486 6.471 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)ccc1OCc1c(F)cccc1Cl 2323503479 BKGUUISGLMAYMZ-UHFFFAOYSA-N 440.898 6.362 30 10 IKEE C[C@@H](NC(=O)COc1ccc(C=CC(=O)c2cccc3ccccc23)cc1)c1ccccc1 2324128310 GFZUNBVGXKVVDW-OAQYLSRUSA-N 435.523 5.992 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3F)cc2)cc1 2324201470 HWRFQBRWCMOTJC-UHFFFAOYSA-N 446.562 7.650 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCC(=O)OCc3ccccc3)cc(C)c2C1=O 2324234221 DQEQGZNVHVWTAW-UHFFFAOYSA-N 444.483 5.132 30 10 IKEE Cc1ccccc1OCCCCOc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O 2324595515 UGQGFFFNTISOID-UHFFFAOYSA-N 434.919 6.503 30 10 IKEE COc1ccccc1C=C1Oc2cc(O[C@@H](C)C(=O)Nc3ccc(Cl)cc3)ccc2C1=O 2324609762 BQOQSZGELSRJQI-HNNXBMFYSA-N 449.890 5.371 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(C)cc3)n2)c1 2324736381 VSWGVNVVBWRVSJ-OAQYLSRUSA-N 432.545 5.806 30 10 IKEE Cc1ccccc1C=C1Oc2cc(O[C@H](C)C(=O)Nc3ccc(C#N)cc3)cc(C)c2C1=O 2325307055 MGNMVQQSRGWZNI-GOSISDBHSA-N 438.483 5.197 30 10 IKEE CCc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccc(C)cc2)cc1 2325435576 UOAXVSMDGJEHER-UHFFFAOYSA-N 440.616 6.109 30 10 IKEE CCCOc1cccc(C=Nn2c(CCC)nnc2SCc2ccccc2Cl)c1 2325559025 QHUVNDKIJKBTGB-UHFFFAOYSA-N 428.989 5.847 30 10 IKEE CCCOc1ccccc1C=Nn1c(C)nnc1SCc1c(Cl)cccc1Cl 2325631406 GENDJYHVLXEGRK-UHFFFAOYSA-N 435.380 5.857 30 10 IKEE COc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(C)cc3C)c2)cc1[N+](=O)[O-] 2325736560 LVTQWUWSIRWXQG-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE O=C(Cc1cc(Cl)ccc1Cl)Oc1cccc(C=CC(=O)c2ccc(F)cc2)c1 2325751304 ZHMVTTHKXFOFAZ-UHFFFAOYSA-N 429.274 6.177 30 10 IKEE CCSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1cccc(F)c1 2325908817 DTERZZOOJDJJDM-UHFFFAOYSA-N 425.316 5.297 30 10 IKEE CC(C)(C)c1ccc(CSc2nncn2N=Cc2cccc(Br)c2)cc1 2326315583 FZOYCJMVBFYHLL-UHFFFAOYSA-N 429.387 5.513 30 10 IKEE Cc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(OCC(C)C)cc1 2326637365 XYTYYDUZHAWCGV-UHFFFAOYSA-N 430.577 5.949 30 10 IKEE Cc1ccccc1CSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1cccnc1 2327511947 WPEGLMHUMVAKTQ-UHFFFAOYSA-N 449.967 5.388 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2ccc(F)cc2)cc1C 2328791252 WAOSBCLXORNGMB-UHFFFAOYSA-N 446.551 5.788 30 10 IKEE Cc1ccc(C)c(CSc2nnc(COc3cccc(C)c3C)n2N=Cc2ccc[nH]2)c1 2328849248 FHJZPSBNYYJKCI-UHFFFAOYSA-N 445.592 5.593 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3F)n2N=Cc2ccc(O)cc2)cc1 2329701014 OWEMRNLKEISLDK-UHFFFAOYSA-N 432.524 5.197 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2Cl)n1N=Cc1cccnc1 2330109738 VSBHJRGIMIUHNC-QGZVFWFLSA-N 433.968 5.653 30 10 IKEE Fc1ccccc1CSc1nnc(-c2ccccc2)n1N=Cc1ccc2c(c1)OCCO2 2330673060 SJSYPANSUODKIL-UHFFFAOYSA-N 446.507 5.030 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c(OC)c2)cc1 2330707501 LRNCRSBDDWKJNQ-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)ccc1OC(=O)CSc1ccccc1 2330795192 QQKFCTCRKRFWKZ-UHFFFAOYSA-N 448.540 5.688 30 10 IKEE C=C(C)CSc1nnc(CC(C)(C)C)n1N=Cc1ccc(OCc2ccc(C)cc2)cc1 2330841001 SUROZROAMUEMNX-UHFFFAOYSA-N 448.636 6.305 30 10 IKEE O=C(COc1cc(F)ccc1F)Oc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1 2331117722 BQXNCDXTGYHOCQ-UHFFFAOYSA-N 428.818 5.499 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)COc1cccc(C)c1C 2331179169 NVYUQROANVYVJA-UHFFFAOYSA-N 430.500 5.583 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)C1CCCC1 2331226549 LVKKFRVNRBUILP-UHFFFAOYSA-N 426.940 6.347 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])cc1 2331276408 RROLYFDRIGRKFL-UHFFFAOYSA-N 445.471 5.346 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1cc(C)cc(C)c1 2331445283 DTFLRAUMAUTZNT-UHFFFAOYSA-N 444.483 5.546 30 10 IKEE COCC(=O)Oc1c(Cl)cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC 2331571644 PHUKVEZOEQAXIW-UHFFFAOYSA-N 446.927 5.237 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2cccs2)c([N+](=O)[O-])c1 2331665253 KPGKNNWBNIZJIW-UHFFFAOYSA-N 437.473 5.397 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2ccc(Cl)cc2)cc1C 2331673845 POGWNTXUPXLLHN-UHFFFAOYSA-N 441.988 5.285 30 10 IKEE C=C(C)CSc1nnc(C(C)C)n1N=Cc1ccc(OCCCCCC)c(OC)c1 2331698064 PPMHRKCYKACPPZ-UHFFFAOYSA-N 430.618 5.920 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2ccc(OC(=O)C(C)(C)C)c(OC)c2)cc1Cl 2331703225 KWYJPXGDYQDTGP-UHFFFAOYSA-N 432.900 5.213 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)CCc1ccc(Cl)cc1 2331715355 QDFDOWQWCVWMAI-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cccs3)c(Cl)c2)cc1Cl 2331818951 OFKJWGGYHAZUMP-UHFFFAOYSA-N 447.339 6.108 30 10 IKEE C=CCN(CC[C@@H](NCC)c1cc(Cl)cc(Br)c1F)C(=O)OC(C)(C)C 2337097640 KBPJFBREZQYBFT-MRXNPFEDSA-N 449.792 5.705 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1nc3ccccc3n1[C@@H]2c1cccc(F)c1Br 9495998 BUCZZPGFJTTWJZ-HXUWFJFHSA-N 440.316 5.596 30 10 IKEE Cc1cc(C)nc(N/C(=N\C(=S)Nc2cccc(C)c2Cl)NCc2ccccc2)n1 14156585 IGSITGPCXHYTQV-UHFFFAOYSA-N 438.988 5.010 30 10 IKEE COCC/N=c1\scc(-c2ccccc2F)n1/N=C/C(c1ccccc1)c1ccccc1 15980944 XRTQVRFSFKUXPZ-LSMUJTORSA-N 445.563 5.569 30 10 IKEE COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(F)ccc2F)c1 20885515 AZYOXAYXKGRIQV-YHAMSUFESA-N 432.470 5.953 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(C(C)(C)C)cc2)cc1OC 21225441 VRCBTBWLALUGJE-CTNGQTDRSA-N 447.575 5.396 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C)o2)cc1 21255541 UWPOMKGSMXSJRI-WINIVTDRSA-N 428.532 6.356 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccc(-c2ccccc2)cc1 34955620 YOYVQEZMQNPRND-GIJQJNRQSA-N 449.462 6.377 30 10 IKEE CCOC(=O)C1=C(Nc2cccc(C(F)(F)F)c2)S/C(=C/c2ccc(O)c(C)c2)C1=O 36257907 XYIGBPIBSYGOAJ-LICLKQGHSA-N 449.450 5.263 30 10 IKEE CC[C@H](Sc1nnc2cc(C)c3ccccc3n12)C(=O)Nc1sc(C)c(C)c1C#N 40170156 WLWKCMBZQVVFRX-SFHVURJKSA-N 435.578 5.250 30 10 IKEE C=CCSc1ccccc1NC(=O)CSc1nc2ccc(NC(C)=O)cc2s1 59041020 CGFUJTZKLRNJFB-UHFFFAOYSA-N 429.592 5.264 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2ccc(C(=O)NCc3ccco3)cc2)cc1 59925087 XOOBNWZNKYDJRR-UHFFFAOYSA-N 434.536 5.811 30 10 IKEE CC/C(C)=N/Nc1nc2cc(C)c(NC(=O)COc3ccc(Cl)cc3C)c(C)c2s1 78400645 KFOSDEDQPLKYFD-VULFUBBASA-N 444.988 6.090 30 10 IKEE CCCCCCCCOc1ccc(/C=C2/N=C(c3ccc(OCCCC)cc3)OC2=O)cc1 100168165 VRQNXTFIYLKSON-YYADALCUSA-N 449.591 6.949 30 10 IKEE CCCCCCCCOc1ccc(/C=C2/N=C(/C=C\c3ccc(Cl)cc3)OC2=O)cc1 100168202 NJLKJPDFTKJZSY-WZFUQDBPSA-N 437.967 7.089 30 10 IKEE CCN1C(=O)/C(=C/c2cccc(OCc3ccc(C)cc3)c2)S/C1=N/c1ccccn1 101124051 PJYIFBYCUHFMJS-BQDIORIJSA-N 429.545 5.593 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 164031549 ZSJFDLOJMZBUQW-VIZOYTHASA-N 443.543 6.041 30 10 IKEE Cc1cc(C)c(S(=O)(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C)c1 169904380 OOQRNWVADNLGKA-AFUMVMLFSA-N 430.614 5.225 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccc(C)cc2C)c1 169935450 KRDAUXIGVBULNF-VWLOTQADSA-N 441.527 5.712 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2ccc(O)cc2)c1 169964865 XEQCBYTZQVSJGS-VWLOTQADSA-N 441.527 5.404 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@@H]2c2ccccn2)cc1C 169995876 WUISSFLUILMFHF-RUZDIDTESA-N 434.495 5.635 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 170029460 WZOUXYKXSOSIEG-XMMPIXPASA-N 427.500 5.485 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccccc2)cc1 170052789 JGZYAWHYNQXDLE-XMMPIXPASA-N 443.499 5.185 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 170066571 OXUGOLDOACYBOB-GBXCKJPGSA-N 445.515 5.314 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1C 170087663 UAZWIIIGLAHYSJ-XMMPIXPASA-N 427.500 5.091 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 170142472 RUTAUQFURKOXBF-HSZRJFAPSA-N 426.447 5.097 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2cccs2)c1C 170158800 IMASYKSWMJLDLT-FQEVSTJZSA-N 434.473 5.056 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccccc2)c1 170223716 OBGSGRJQBWCIHA-SANMLTNESA-N 437.539 5.965 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@@H]1c1ccccc1 170225041 PCQUPOXSCKRALX-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccccc1F)c1ccc2c(c1)CCCO2 170251724 BKAQDDPZZXFOQI-QHCPKHFHSA-N 435.495 5.062 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1cccc(O)c1 170259912 OGYAZMGRTBPYRL-XMMPIXPASA-N 443.499 5.271 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@@H]1c1ccc(C)o1 170309213 BBARAGMDNYAMLY-QFIPXVFZSA-N 425.525 5.489 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2sccc2C)cc1C 170314377 OBDQZSSPYFBFPR-JOCHJYFZSA-N 447.556 5.855 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2sccc2C)cc1C 170314682 AHYVZAWLCSHCEI-OAQYLSRUSA-N 449.528 5.252 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(C(C)C)cc2)c1 170363794 DFXRXIBBZCDARF-QHCPKHFHSA-N 447.556 6.053 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)C(C)(C)Oc2ccc(Cl)cc2)nc2ccccc12 170536859 FUXUMKUZVCIKGE-UHFFFAOYSA-N 445.910 5.050 30 10 IKEE COc1cccc(/C=C2\SC(=Nc3cccc(C)c3)N(c3cccc(C)c3)C2=O)c1O 252623757 OYOOXVFUTXGTNZ-JXJWTFEASA-N 430.529 5.826 30 10 IKEE CCN1C(=O)/C(=C/c2cc(Br)c(OC)cc2OC)SC1=Nc1ccccc1 252630505 VAZLWADNTQRQKV-WYWZIVHKSA-N 447.354 5.090 30 10 IKEE CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@@]43C)[C@H]2C1 253534018 XQIVDOSRZQSWFL-YVGABAJZSA-N 438.696 7.556 30 10 IKEE CCCCOc1ccc(C(C)(C)CC(C)(C)C)cc1N=Cc1cccc([N+](=O)[O-])c1O 254384618 CIJQZAVTPXHHHF-UHFFFAOYSA-N 426.557 6.944 30 10 IKEE N#Cc1cc(F)c(Nc2cc(Br)ccc2Br)cc1Br 311451946 ZOHIZTWPCCFVRY-UHFFFAOYSA-N 448.915 5.728 30 10 IKEE Cc1cc(C)cc(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccc(C)o2)c1 526809074 GFXOTIXEAMEQDH-QQXSKIMKSA-N 430.577 5.756 30 10 IKEE CCCCCOc1ccc(/C=N\n2c(CC)nnc2SCc2cccc(Cl)c2)cc1 526811241 GAKRPQMJNNORCX-XYGWBWBKSA-N 443.016 6.237 30 10 IKEE Cc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccc(Cl)c(Cl)c1 526816872 FCFGAJUXIBZNKJ-UYOCIXKTSA-N 429.735 5.860 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1ccc(OCCC)cc1 526823110 QOWXBUVWMNJIPG-ONUIUJJFSA-N 433.581 5.456 30 10 IKEE O=C(CC(c1ccccc1)c1ccccc1)NCC#CCOc1cccc(Br)c1 585254387 ZSNFWAMGQMXLSG-UHFFFAOYSA-N 448.360 5.170 30 10 IKEE O=C(O)C1CCN(c2nc3ccccc3cc2/C=C\C(=O)C23CC4CC(CC(C4)C2)C3)CC1 606442991 JZUCNYCBQSHUNX-WAYWQWQTSA-N 444.575 5.335 30 10 IKEE C=C(CCC=C(C)C)[C@H]1CC[C@@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C 642772320 WZAMDSBJONFHAO-NBDXPFAESA-N 426.729 8.335 30 10 IKEE COCc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)cc1 698441546 BCBJDLXXQAFTSX-IBGZPJMESA-N 431.330 5.602 30 10 IKEE C[C@@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)CN1C(=O)OC(C)(C)C 698871289 UFIGSLPCNPLWMV-WAIKUNEKSA-N 433.524 5.249 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@H]2CCCCN2C(=O)OC(C)(C)C)cc1 698871847 WQKSSBYJLQMLAA-NLFFAJNJSA-N 443.588 5.808 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)c(F)c1F)NCC 701300174 REVURTHBLVHNAD-CVEARBPZSA-N 447.364 5.107 30 10 IKEE N#Cc1cccc2c1[nH]c(=S)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705693276 YHIKZMIAZFJEPL-UHFFFAOYSA-N 440.572 5.042 30 10 IKEE O=[N+]([O-])c1ccc(-c2sc(NN=Cc3cccc([N+](=O)[O-])c3)nc2-c2ccccc2)cc1 1083985350 XDTMRMYBDJGABN-UHFFFAOYSA-N 445.460 5.740 30 10 IKEE Cc1ccc(C=Nc2nc(-c3ccc(Cl)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 1084592797 NCDPONHLPGEROE-UHFFFAOYSA-N 433.920 7.098 30 10 IKEE CC(=O)c1ccc(Cl)c(N=Cc2ccc(Br)c(Br)c2O)c1 1088677656 CZJCUNHKEASCDY-UHFFFAOYSA-N 431.511 5.524 30 10 IKEE FC(F)(F)c1cc(Cl)c(NN=Cc2cccc(Oc3ccccc3)c2)nc1Cl 1088719124 FKHGBCDGKXYMGN-UHFFFAOYSA-N 426.225 6.646 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2)S/C(=N\N=C/C=C/c2ccccc2)N1Cc1ccco1 1554646633 ZGPZFRDXCGXEPQ-CKTINRHFSA-N 447.947 6.105 30 10 IKEE C/C(=C1/SC(=Nc2cccnc2Cl)N(C2CCCCC2)C1=O)c1cccc(N)c1 1772733109 KGBOWKIEHQSANX-OQZKWKKUSA-N 426.973 5.644 30 10 IKEE Cc1ccc(/C=C2\SC(=Nc3nc(-c4ccccc4)cs3)N(c3ccccc3)C2=O)o1 1772733915 CJTLTYUYQXRKSI-UDYULTBOSA-N 443.553 6.520 30 10 IKEE CC(C)(C)c1ccc(C=NN=C2S/C(=C/c3ccccc3)C(=O)N2Cc2ccco2)cc1 1772757494 GHMHMBWYHDUHAO-WHJACJQHSA-N 443.572 6.084 30 10 IKEE N#CCc1c(Cl)cnc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1Cl 1848369557 KWOANQUORGNDMC-UHFFFAOYSA-N 435.352 7.388 30 10 IKEE Fc1ccc(-c2nn(-c3ccccc3)cc2/C=N\NC(=S)Nc2cccc(F)c2)cc1 1857811013 HJERRFXEKBBZFH-WGARJPEWSA-N 433.487 5.138 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc3c(OC(=O)c4cccnc4Cl)cccc23)c1 1858930124 STBMYQBTUPOHGM-UHFFFAOYSA-N 427.847 5.231 30 10 IKEE C=CCNC(=O)Oc1cccc2c(NC(=O)Cc3ccc(Br)cc3)cccc12 1858943607 SUEGYAVEUOXKPE-UHFFFAOYSA-N 439.309 5.058 30 10 IKEE CCOC(=O)c1sc(NC(=O)C2(Oc3ccc(C)c(C)c3)CCCCC2)c(C#N)c1C 1859736214 QPYLBYHXECCHPO-UHFFFAOYSA-N 440.565 5.442 30 10 IKEE N#Cc1c(NC(=O)c2cnc(-c3ccncc3)s2)oc(-c2ccccc2)c1-c1ccccc1 1859743645 AYGJHYQKVROXTA-UHFFFAOYSA-N 448.507 6.256 30 10 IKEE CCCCCCCCNC(=O)[C@@H](NC(=O)Cc1cc(Cl)ccc1SC)[C@H](C)CC 1860978623 KJAVNATXWJFELZ-VGSWGCGISA-N 441.081 5.612 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 1862397963 POLAKSSEXHGGOH-OAQYLSRUSA-N 443.465 5.789 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccccc1Cl 1862432912 PVHDKEHBYQJLNH-FQEVSTJZSA-N 448.346 5.387 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 1862481196 ZCXPMNNFAPIGQF-DEOSSOPVSA-N 440.543 5.466 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccc([N+](=O)[O-])c2)c1 1862492515 UCURUSOZEOMLMR-OAQYLSRUSA-N 448.500 5.052 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCC(C)C)cc1 1862505967 HYMWFCIZYUTSAH-QFIPXVFZSA-N 425.500 5.157 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2cccc(Cl)c2)cc1 1862535262 CIHVPSSQCPWDPX-OSPHWJPCSA-N 445.946 6.242 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862622678 MLUJZOQZJUQADS-FQEVSTJZSA-N 446.374 6.279 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C(C)C)cc3)[C@H]2c2ccc(O)cc2)c1 1862661040 BVABXOPHUSYTHP-RUZDIDTESA-N 441.527 5.603 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1c(Cl)cccc1Cl 1862667644 HLPBVKDILURZHU-FQEVSTJZSA-N 430.331 5.881 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc(Br)c1 1862718488 BKTDKLXAVVHBLF-NRFANRHFSA-N 448.316 5.367 30 10 IKEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1 1862722634 WFAIUFKEUDTILO-ILBGXUMGSA-N 439.511 5.111 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(Cl)cc3C)C2=O)cc1C 1862877901 LPPQUDZNCHGOGZ-UHFFFAOYSA-N 441.918 5.534 30 10 IKEE CCCCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CC)[C@@H]1c1cccs1 1864475800 WBCRYIVIGCBKMB-FQEVSTJZSA-N 444.645 5.224 30 10 IKEE Cc1ccccc1-c1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(Cl)c(Cl)c2)cc1 1870137282 HBUWZDNGJFFVOD-UHFFFAOYSA-N 448.313 5.674 30 10 IKEE CC(C)c1cc(C(C)C)cc(-n2nnc(C#N)c2NC(=O)CCC(=O)c2ccc(F)cc2)c1 1870147490 SIOKGMLRCPWDNT-UHFFFAOYSA-N 447.514 5.126 30 10 IKEE CCCCC1CCC(C(=O)Nc2c(C#N)nnn2-c2ccc(N3CCCCC3)cc2)CC1 1870153871 GDCOCLLJGUMINC-UHFFFAOYSA-N 434.588 5.064 30 10 IKEE CCCCCCCCC(=O)Nc1c(C#N)nnn1-c1ccc(OCCCCCC)cc1 1870159465 JHEPSHUBEHJNAJ-UHFFFAOYSA-N 425.577 5.787 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCCCC)c(=O)cc1CN(C)CCCC 1870764489 MGXDMZLVNCEAEH-UHFFFAOYSA-N 436.637 5.163 30 10 IKEE C#CCOc1cn(CCCCCCCC)c(CNc2ccc(OCCCC)cc2)cc1=O 1871006949 CYNSVHQZMWFBTA-UHFFFAOYSA-N 438.612 6.012 30 10 IKEE CCCCCCCCn1cc(OCCCCC)c(=O)cc1CNc1ccc(C)c(F)c1 1871130217 INOCMFDYFSHVLE-UHFFFAOYSA-N 430.608 6.837 30 10 IKEE C[C@@H](c1ccc2c(c1)CCCC2)N1COc2ccc3c(c2C1)O/C(=C\c1ccco1)C3=O 1871354569 UMBZZHKUAPMODG-MQKZQLNTSA-N 427.500 5.688 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc(F)cc4)ccc3C2=O)c1OC 1871365851 HIAQUNKFDVJUDI-HMSZGEISSA-N 446.430 5.078 30 10 IKEE COc1ccccc1/C=C1\Oc2c(ccc(OC(=O)CCCOc3ccccc3)c2C)C1=O 1871371513 UDTYNYRCIUPPPY-ULJHMMPZSA-N 444.483 5.384 30 10 IKEE Cn1cc(/C=C2\Oc3cc(OC(=O)/C=C/c4cccs4)ccc3C2=O)c2ccccc21 1871381155 QTSZJBZATMPFNS-UZFRFFLFSA-N 427.481 5.475 30 10 IKEE CCCCCCOc1cc(C)c2c(c1)O/C(=C\c1cc(Br)ccc1OC)C2=O 1871399449 LKOCHOCZGCRNGH-BKUYFWCQSA-N 445.353 6.341 30 10 IKEE Cc1ccc(OCCCCOc2ccc3c(c2C)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871404379 KQDAMOVXMVIYJI-ITYLOYPMSA-N 428.528 6.466 30 10 IKEE CCOc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccccc2)C3=O)cc1 1871406867 LEPSFYPLAQBTPS-WSLHGYQHSA-N 443.499 5.416 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2sccc2C)C3=O)cc1 1871410897 CHWLYBMZPYJKHN-JHDSZEHQSA-N 449.528 5.396 30 10 IKEE Cc1cc(C)c(COc2ccc3c(c2)O/C(=C\c2ccc(Br)cc2)C3=O)cc1C 1871417112 CFUQKBJDZKIMPS-MSXFZWOLSA-N 449.344 6.570 30 10 IKEE Cc1cc(C)c(COc2ccc3c(c2C)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)cc1C 1871417368 KHJKBRIZPQXTSG-CFRMEGHHSA-N 429.472 6.024 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(OC)cc2C)[nH]c(N2CCC(C)CC2)n1 1871691979 MNYONEVRCPDRJG-UHFFFAOYSA-N 440.636 5.363 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1cc(C)ccc1C 1872230204 OFXAOJSJCMGDSI-NRFANRHFSA-N 449.016 5.331 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccccc1CC)[C@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872496172 VPZDMULEDPPPDX-HOYKHHGWSA-N 442.625 5.096 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ccc(Cl)cc3)n2)cc1OC 1872761866 XNMPDCXKXPYMSK-KRWDZBQOSA-N 426.925 5.290 30 10 IKEE CC(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nc(-c3cccc(Br)c3)cs2)c1 1872763813 VURYTIXNAHPQRY-QGZVFWFLSA-N 440.322 5.021 30 10 IKEE Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1872767115 SRHCDUZIHGXYJZ-HNNXBMFYSA-N 442.840 5.078 30 10 IKEE COc1ccc(C)cc1-c1csc([C@H](C#N)C(=O)c2c(Cl)ccc(Cl)c2OC)n1 1872770961 IYCCGQDUXZYALK-CYBMUJFWSA-N 447.343 5.933 30 10 IKEE CCOC(=O)Oc1ccc(C(=O)[C@@H](C#N)c2nc(-c3cc(C)ccc3OC)cs2)cc1 1872772228 LTIDDFYSNBAQOC-GOSISDBHSA-N 436.489 5.153 30 10 IKEE CCCCCCCOc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(F)c3)n2)cc1 1872777531 PVJGKVDJBPWYST-JOCHJYFZSA-N 436.552 6.788 30 10 IKEE CC(C)N1C[C@@H](C(=O)[C@H](C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)CC1=O 1872779759 QTTSLXKYAIESGF-RXVVDRJESA-N 445.544 5.036 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)Cc2ccc(Cl)cc2)n1 1872786821 SZNDOBNOOFZGLM-QGZVFWFLSA-N 431.344 5.853 30 10 IKEE N#C[C@H](C(=O)c1cc2ccccc2oc1=O)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872787845 SVCCIIAVZORFSJ-OAHLLOKOSA-N 441.295 5.713 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@@H](C#N)C(=O)C23CC4CC(CC(C4)C2)C3)n1 1872788960 VOBPQDONASGYOU-KGASDJBWSA-N 426.969 5.865 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(-n3cccc3)cc2)C(=O)N(C(C)C)C1=O 1873037322 KYFLMYZAJNMOPX-UHFFFAOYSA-N 435.612 5.696 30 10 IKEE CCCCCCCCN1C(=O)C(NCCc2cccs2)=C(c2cccc(OC)c2)C1=O 1873048201 OZVZMMULMONMJG-UHFFFAOYSA-N 440.609 5.029 30 10 IKEE Fc1cccc(CSc2nnc(CCc3ccccc3Cl)n2/N=C/c2ccc[nH]2)c1 1874274216 DMMOQXDGPYIORQ-VULFUBBASA-N 439.947 5.358 30 10 IKEE Cc1ccc(OCc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccc[nH]2)c(C)c1 1874325685 BWHOCLRIGHAEQM-LGJNPRDNSA-N 435.528 5.116 30 10 IKEE COc1ccc(Cc2nnc(SCc3cc(C)ccc3C)n2/N=C/c2ccccc2)cc1 1874349412 KMWDSWIBBYDESQ-WPWMEQJKSA-N 442.588 5.669 30 10 IKEE Clc1ccc(/C=N/n2c(COCc3ccccc3)nnc2SCc2ccccc2)cc1 1874355382 LFIAAHPQHMFWEJ-CVKSISIWSA-N 448.979 5.823 30 10 IKEE Clc1cccc(CSc2nnc(CCc3cccs3)n2/N=C/c2ccccc2)c1 1874374189 LAWUXGUZYREFQE-BUVRLJJBSA-N 439.009 5.953 30 10 IKEE CCCOc1c(/C=N/n2c(COc3ccccc3)nnc2SCCC)cccc1OC 1874385730 FMFKZHUYQJKFEF-LFVJCYFKSA-N 440.569 5.039 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccncc1 1874399795 WIKBGPVKWIYRRY-MJDZGMBVSA-N 449.583 6.153 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCCc2ccccc2)n1/N=C/c1ccc(F)cc1F 1874400478 QZRZHZCQZKIJIS-ADXYVXIDSA-N 448.542 5.925 30 10 IKEE COc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2cc(C)ccc2C)cc1 1874408090 GHNMBWVREKPSPQ-WPWMEQJKSA-N 448.636 6.201 30 10 IKEE CCOc1c(/C=N/n2c(SCc3ccccc3C)nnc2-c2ccco2)cccc1OC 1874464307 CBKWZGSOYRCMKJ-MFKUBSTISA-N 448.548 5.428 30 10 IKEE O=[N+]([O-])c1cccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2-c2ccco2)c1 1874467279 AROSGXOIQZBOQS-WSDLNYQXSA-N 439.884 5.274 30 10 IKEE CCCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1/N=C/c1ccccc1Cl 1874477882 NHOWBXKMGLUCKR-YDZHTSKRSA-N 446.960 5.218 30 10 IKEE CC(C)Cc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1cccs1 1874490306 JYEPORYDZVQRLO-UFFVCSGVSA-N 425.410 6.019 30 10 IKEE CC(C)Cc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(C(=O)O)cc1 1874490778 JSPRPCGHNWYTTK-CVKSISIWSA-N 444.560 5.503 30 10 IKEE Cc1ccsc1/C=N/n1c(SCC(=O)Nc2cccc(C)c2C)nnc1C(C)C 1874510307 MNSRYUMTRZZWIO-SSDVNMTOSA-N 427.599 5.001 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2c(OCc3ccccc3F)ccc3ccccc23)c1C 1874586970 NWQVIFRBHIIECO-CCEZHUSRSA-N 438.542 7.688 30 10 IKEE Cc1cccc(NC(=O)COc2cccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)c2)c1 1874599496 PEUUUFMIDYYGJL-OUKQBFOZSA-N 427.544 6.142 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3cc(C)cc(C)c3)c2)cc1Cl 1874599810 FMJQYVLZMLPBII-VQHVLOKHSA-N 449.934 5.879 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)c1 1874618943 AWBNUEZBUXEIIX-BJMVGYQFSA-N 443.326 6.486 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2)cc1OC(=O)COc1ccc(Cl)c(C)c1 1874700728 JQHNECCVTWYCGG-XYOKQWHBSA-N 436.891 5.538 30 10 IKEE COc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3cc(C)cc(C)c3OC)c2)cc1 1874713259 NUHVACGTWXDVMD-MDWZMJQESA-N 446.499 5.201 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1OC(=O)c1ccccc1C 1874715678 GSSCZJWBDDKYDJ-NTCAYCPXSA-N 442.555 6.725 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(F)c(F)c3F)c2)cc1Cl 1874717116 ZHKAYPLHNVMZNY-WEVVVXLNSA-N 446.808 5.881 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)c(Br)c1O 1874717500 YMMNCQQIUHQZMF-HWKANZROSA-N 432.097 5.375 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OC(=O)CC(C)(C)C 1875098041 PIVQFEUOMDLBTM-NTCAYCPXSA-N 446.587 6.540 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3F)cc2Cl)cc1C 1875121092 YTVKPCQDXAFNHG-RUDMXATFSA-N 426.846 6.350 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)Cc1ccc(F)cc1F 1875142617 LUQHZNPHOXQIHK-YCRREMRBSA-N 440.417 5.465 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2)cc1[N+](=O)[O-] 1875156348 VXNCWDALYKWONM-MKMNVTDBSA-N 445.471 5.842 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)c1ccccc1 1875160273 IPOOVKOATARULC-JXMROGBWSA-N 428.818 5.742 30 10 IKEE Cc1ccc(C)c(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(F)c3)cc2)c1C 1875161839 KALXPALQMMDFRF-MDWZMJQESA-N 436.454 5.771 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)[C@H](C)c1ccccc1 1875184858 UZFSBZFMYDSYLG-ZOXUKVPXSA-N 428.528 6.226 30 10 IKEE COCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1OC 1875191558 RYXAWZICQCTTQW-ZZXKWVIFSA-N 429.683 5.103 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1 1875191629 WLERNIUTOBYGQN-RIYZIHGNSA-N 425.311 6.428 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Cl)cc1Br 1898789641 UIBYBRJYHMYDAZ-ROUUACIJSA-N 445.829 6.003 30 10 IKEE C[C@@H]1[C@@H](Nc2ccc(C#N)c(Br)c2F)CC(C)(C)CN1Cc1ccccc1 1916257268 DUSQWTUCUPZAQQ-BEFAXECRSA-N 430.365 5.561 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 1922067154 ZKKGQUVAGKHEIZ-DQEYMECFSA-N 438.612 5.264 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CC(C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C2 1922295198 JQLYVDMABOSOFT-GJZGRUSLSA-N 447.498 5.000 30 10 IKEE C=CCCCNc1cc(Br)c(I)c(Br)c1 1931650073 NLRQYZYSYRJMLV-UHFFFAOYSA-N 444.936 5.194 30 10 IKEE CN[C@H](CC#CC1CCCCC1)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1947480899 ITRGRUKFXHDJPD-DNQXCXABSA-N 428.617 5.048 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@](C)(C#N)[C@@]1(C)CCN1C(=O)OC(C)(C)C 1953199433 NVEJDGSLYUBSGP-RPWUZVMVSA-N 429.561 5.105 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@@](C)(C#N)[C@@]1(C)CCN1C(=O)OC(C)(C)C 1999898888 XRNYCSDRMFREED-PKTZIBPZSA-N 449.979 5.763 30 10 IKEE C=CCCCCCCCC[C@@H](N)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2026314748 VQAMLYPSYLNXNU-RPWUZVMVSA-N 431.665 5.646 30 10 IKEE CC(C)(C)OC(=O)NCC[C@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 2037234008 WOESQBNAPSOEOC-MZNJEOGPSA-N 447.551 5.544 30 10 IKEE CC(C)(C)OC(=O)NCC[C@@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C1 2038869405 MTMODPXMHNCBCO-DFBJGRDBSA-N 449.636 5.924 30 10 IKEE CCOc1ccc2oc(C(=O)N3C(=N[C@H]4CCCC[C@@H]4C)SCC3(C)C)c(C)c2c1 2040469849 PQJDUCOVWJQBMP-KXBFYZLASA-N 428.598 6.042 30 10 IKEE CCc1nn([C@@H](c2ccc(C)c(F)c2)C(C)(C)C)c(I)c1C#N 2079080686 NFFSKAPEKVEQKZ-INIZCTEOSA-N 425.289 5.005 30 10 IKEE CC1([C@H](c2ccc(C(F)(F)F)cc2)n2nc(C3CC3)c(C=NO)c2Br)CC1 2079854564 HCBIKLHBRLAURJ-INIZCTEOSA-N 442.279 5.739 30 10 IKEE COc1ccc([C@H](n2nc(C3CCC3)c(C=NO)c2Br)C(C)(C)C)cc1F 2080107398 NJFLHNUPFQQKIS-SFHVURJKSA-N 438.341 5.504 30 10 IKEE Cc1nn(C(F)(F)F)c(I)c1-c1ccc(F)cc1C(F)(F)F 2080794217 FIMZHHSSEIKOMS-UHFFFAOYSA-N 438.084 5.097 30 10 IKEE Fc1c(-c2c(C3CCC3)nn(C(F)(F)F)c2Br)cccc1C(F)(F)F 2080911078 ANFGGNFSLGTBLW-UHFFFAOYSA-N 431.149 6.214 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(Cc3ccccc3)C3(CC3)C2)cc1 2104010983 YOVREIGMXBSWDL-HHHXNRCGSA-N 447.579 5.528 30 10 IKEE CCc1ccc(C#N)c(Nc2cc(Br)ccc2I)c1 2132318859 ZXSBRCKVYPLNQI-UHFFFAOYSA-N 427.083 5.231 30 10 IKEE CC1(C)OB(c2cc(Cl)ccc2NC(=O)c2cc(Cl)c(Cl)s2)OC1(C)C 2156093321 IZAKJSMEKZIKLC-UHFFFAOYSA-N 432.565 5.260 30 10 IKEE CC(C)(C)OC(=O)N[C@H](CCNc1cc(Br)cc(C#N)c1)c1ccccc1 2162413873 HLGHIIAAEQMEGW-LJQANCHMSA-N 430.346 5.389 30 10 IKEE C[C@@H]1CC(=O)C=C(c2sc(Br)c(Br)c2Br)C1 2212247463 CHSOPPOYJOBYDV-YFKPBYRVSA-N 428.971 5.418 30 10 IKEE N#Cc1cc(-c2sc(Br)c(Br)c2Br)ccc1O 2216415955 ZHJOPLCPIUEZJL-UHFFFAOYSA-N 437.938 5.280 30 10 IKEE CCCN[C@@H](C#CC(C)(C)C)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2218399481 FFFQGXTYFJZPOT-HOFKKMOUSA-N 442.644 5.248 30 10 IKEE C=C([C@@H](NC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)C(C)(C)C 2229117850 FGADKHQVDJMENJ-ZWKOTPCHSA-N 425.411 5.075 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)CC[C@H](C)CCNC(=O)OC(C)(C)C 2235728556 RJJPPMUOENVUPF-HKUYNNGSSA-N 437.422 5.110 30 10 IKEE CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 2247981424 JXRQYIRRUNXRSH-DVECYGJZSA-N 435.609 5.341 30 10 IKEE C[C@H](c1ccc(NC(=O)OC(C)(C)C)cc1)[C@H](O)C#Cc1cccc(Br)c1 2296219970 TWSWDWPJRRGYRJ-FOIQADDNSA-N 430.342 5.312 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(Cl)cc2)c(OC(=O)c2cccc([N+](=O)[O-])c2)c1 2296797065 QWZBKWLTZDKMOT-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE Cc1ccc([C@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 2296927075 OQGFORKXTOCTTI-NRFANRHFSA-N 444.487 5.370 30 10 IKEE CCOC1=CC(=C2C=CC(=O)C(OC)=C2)C=C(Nc2cccc(C)c2)c2c(C)oc(C)c21 2297469358 VHTYZDDJVHKENV-UHFFFAOYSA-N 429.516 6.015 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@H](C#N)[C@]1(C)CCCCN1C(=O)OC(C)(C)C 2302518721 IWORSLFTNBGHQY-DVECYGJZSA-N 435.609 5.628 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2302574327 NBKKLHGHRIBVCG-AQNXPRMDSA-N 435.609 5.532 30 10 IKEE Cc1ccc(Sc2ccc(C=C3SC(=Nc4cc(Cl)ccc4C)NC3=O)o2)cc1 2313560109 JOQQCGJHMJGCMW-UHFFFAOYSA-N 440.977 6.593 30 10 IKEE C=CCSc1nnc(CC)n1N=Cc1ccc(OCc2ccccc2C)c(OCC)c1 2321018129 APRJDQBHMYCPBN-UHFFFAOYSA-N 436.581 5.287 30 10 IKEE COc1ccc([C@@H](C)N2COc3ccc4c(c3C2)OC(=Cc2cccs2)C4=O)cc1OC 2322260254 FLFKVRDJULXAHA-OAHLLOKOSA-N 449.528 5.295 30 10 IKEE O=C(C=Cc1c(OCc2nc(O)c3ccccc3n2)ccc2ccccc12)c1ccccc1 2322545517 MSDSNJNVVIIWOU-UHFFFAOYSA-N 432.479 5.964 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Br)ccc2OCc2ccccc2F)c(C)c1 2322568976 LRFULXGMFOEJID-UHFFFAOYSA-N 439.324 6.680 30 10 IKEE Cc1ccccc1C(=O)Oc1cc(C)c2c(c1)OC(=Cc1c(Cl)cccc1Cl)C2=O 2322685580 IDAMJGPDXNCUGE-UHFFFAOYSA-N 439.294 6.446 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4ccc(Br)cc4)cc(C)c3C2=O)o1 2322708577 YUDNMYSLBSCYTI-UHFFFAOYSA-N 439.261 5.494 30 10 IKEE Cc1c(OC(=O)c2cc3cc(Cl)ccc3o2)ccc2c1OC(=Cc1ccccn1)C2=O 2322846805 UUOYZHAJFDUMBI-UHFFFAOYSA-N 431.831 5.625 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccccc2OCC(=O)Nc2cccc(C)c2C)c(C)c1 2322945294 OCJAFOQPIDNDNC-UHFFFAOYSA-N 427.544 6.142 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1ccc(F)cc1)c1cc(Cl)ccc1Cl 2323002983 JKBAHCQAAIMTBW-UHFFFAOYSA-N 435.709 7.261 30 10 IKEE Cc1ccc(CCC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)cc1 2323087059 CWVGPHCLAWZIMI-UHFFFAOYSA-N 441.527 5.524 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3ccc(C)cc3C)c2)cc1 2323134854 MASQPWLXAKAEAY-UHFFFAOYSA-N 429.516 5.616 30 10 IKEE COc1cc(C=NNc2nc(O)cc(-c3ccccc3)n2)ccc1OCc1ccc(C)cc1 2323259367 UNWXMBBJEMJUFL-UHFFFAOYSA-N 440.503 5.191 30 10 IKEE Cc1cc(OC(=O)C=Cc2cccs2)cc2c1C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)O2 2323529456 AISDTMWYNORUEB-UHFFFAOYSA-N 433.441 5.200 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1)c1ccc(F)cc1F 2323721460 WZXPOTBFBGLVRO-UHFFFAOYSA-N 440.358 5.256 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccccc2)cc1Br 2323809150 CUCOPOKNHKUTDU-UHFFFAOYSA-N 444.369 5.373 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OCc1nc(O)c2ccccc2n1 2323914957 BWOZGHCRFIIHMR-UHFFFAOYSA-N 440.499 5.518 30 10 IKEE COC(=O)c1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 2324357059 ONLPRQJMEKCINO-JOCHJYFZSA-N 442.540 5.365 30 10 IKEE COc1ccc(OC)c(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)c1 2324406883 ASRNSKZHONPNQC-IBGZPJMESA-N 434.517 5.034 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCc3nc(O)c4ccccc4n3)c(Cl)c2)cc1C 2324447383 XAOMCTYWTZDOQX-UHFFFAOYSA-N 444.918 6.081 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2ccc(OCc3ccccc3F)cc2)cc1Cl 2324589041 YLHWHTQGNWAWHF-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE COc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc1OC 2324647872 XHXQZAKJABBMLY-HXUWFJFHSA-N 432.545 5.840 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(ccc(OCc4ccccc4C#N)c3C)C2=O)cc1 2325357941 YIVQJYORXCSWFM-UHFFFAOYSA-N 438.527 5.908 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2c[nH]c3ccccc23)cc1 2325471150 UTPXKWHRIKEWLC-UHFFFAOYSA-N 437.572 5.833 30 10 IKEE FC(F)(F)c1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2Cl)cc1 2325669078 WRCTYGGAVKNXLU-UHFFFAOYSA-N 431.270 5.778 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2)cc1OC(=O)c1cccc(Br)c1 2325731039 OLONRLLUWJILLO-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE Cc1cc(C(=O)C=Cc2cccc(OC(=O)CCCOc3ccccc3C)c2)ccc1F 2325741975 RLCMDHWDFVCOTR-UHFFFAOYSA-N 432.491 6.103 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccccc3Cl)c2)c(C)c1C 2325755538 ZAUMEJWQNSZHLK-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE CCCC(=O)Oc1cc(C=CC(=O)c2c(C)cc(C)cc2C)c(Br)cc1OC 2325764547 DWQNOPZVMSBAJJ-UHFFFAOYSA-N 445.353 5.985 30 10 IKEE CCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccc(N(C)C)cc1 2326063615 NEOSNSCYTFPUHO-UHFFFAOYSA-N 444.004 5.003 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1c(C)n(C)c2ccccc12 2326570144 KHFMDYCZDJFKGY-UHFFFAOYSA-N 441.963 5.608 30 10 IKEE CCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1c(C)n(C)c2ccccc12 2326681358 OIZHMSSVWXZCEB-UHFFFAOYSA-N 428.565 5.077 30 10 IKEE CCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(C(C)(C)C)cc1 2327739365 FEOXHQYMVMXKJX-UHFFFAOYSA-N 428.605 6.314 30 10 IKEE Cc1ccc(C=Nn2c(COc3cccc(C)c3C)nnc2SCc2ccccc2)cc1 2328846907 UXGNRYZTDXMKLU-UHFFFAOYSA-N 442.588 5.957 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3C)n2N=Cc2cccs2)cc1C 2328929325 WOXILCDOTHUPMP-UHFFFAOYSA-N 446.645 6.225 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1cccc(OCCC)c1 2329101008 FWQUNQFWWLQWQW-UHFFFAOYSA-N 441.000 5.862 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccco1 2329479678 KNTBMLDUWNVKQN-UHFFFAOYSA-N 447.520 5.047 30 10 IKEE COc1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2)cc1 2329837440 QCFFNSUMEBPNNY-UHFFFAOYSA-N 432.524 5.191 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2)n1N=Cc1ccc(O)cc1O 2330108450 JAAMYJKTTKYWNO-KRWDZBQOSA-N 430.533 5.016 30 10 IKEE CN(C)c1ccc(C=Nn2c(Cc3cccs3)nnc2SCc2ccccc2)cc1 2330392925 FTDPHSVJLYLWKA-UHFFFAOYSA-N 433.606 5.171 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccccc2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2330634912 YJCHVTASOQNZJE-UHFFFAOYSA-N 445.504 5.042 30 10 IKEE Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2)n1N=Cc1cccs1 2330665071 IVQKTNCXXAKSSQ-UHFFFAOYSA-N 447.589 5.236 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(SCc2ccccc2F)nnc1-c1ccccc1 2330671296 VTKOMWXQJOMRTQ-UHFFFAOYSA-N 446.551 6.046 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(C)c2)cc(OC)c1OC(=O)c1cccnc1 2330875589 LRSRZAZFKCFTAE-UHFFFAOYSA-N 443.499 5.251 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2[C@@H]2CCCO2)c1 2330993519 UYYUOCJANHBROZ-QFIPXVFZSA-N 436.581 5.320 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 2331017971 AYQXCJAXRHSTGS-UHFFFAOYSA-N 445.471 5.564 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2Cl)c1 2331142669 QPPCNJSAEVUGKA-UHFFFAOYSA-N 439.338 6.654 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3C)c(Br)c2)c(C)c1 2331224742 INLAZPPVLQTVRJ-UHFFFAOYSA-N 449.344 6.490 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)cc1 2331352355 MOQDUNBQEIESDO-FCHUYYIVSA-N 446.930 6.262 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1OCC 2331402495 JFPVBXZAHGACCX-UHFFFAOYSA-N 430.884 5.112 30 10 IKEE Fc1cccc(CSc2nnc(C3CCC3)n2N=Cc2ccc(C(F)(F)F)cc2)c1 2331500437 IJVJNXBKXQCCRH-UHFFFAOYSA-N 434.462 5.878 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cnccn3)cc2)cc1 2331541904 OWWNQLKOSWKROS-UHFFFAOYSA-N 444.531 5.941 30 10 IKEE Cc1ccsc1C(=O)Oc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1[N+](=O)[O-] 2331649042 REWVBCCYCIZPBV-UHFFFAOYSA-N 449.528 6.314 30 10 IKEE CCCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1N=Cc1ccccc1Cl 2331649242 WYBLOKIQJPWTCX-UHFFFAOYSA-N 441.988 5.114 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3)cc2)c1 2331673808 KAVORAXFABVZIE-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3c(C)cccc3C)cc2)cc1C 2331704719 YHXUYLWGRXFCJL-UHFFFAOYSA-N 442.555 6.581 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)cc2)cc1C 2331705112 CJAMNRQGWXQYPP-RPWUZVMVSA-N 430.931 6.562 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(C)c3)c(Cl)c2)c(OC)c1 2331721756 KZBPBXZOKGRPEG-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cc(Cl)c(OC(=O)C2CCCC2)c(OC)c1 2331871480 UCCRVOWHMGWGBA-UHFFFAOYSA-N 449.330 6.002 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C(=O)C#Cc2ccccc2Br)c(Cl)c1 2335979317 YVMFGANYQAJTQW-UHFFFAOYSA-N 434.717 5.684 30 10 IKEE Cc1cc(I)c(Oc2cc(Br)ccc2C#N)cc1Cl 2336555134 ZYSHSOFKPFCVHM-UHFFFAOYSA-N 448.485 5.680 30 10 IKEE C=CC[C@@H](Oc1ccnc2ccc(Br)cc12)[C@H]1CCN1C(=O)OC(C)(C)C 2361019336 WKFBTMILVHNOQZ-IEBWSBKVSA-N 433.346 5.330 30 10 IKEE CC(C)c1cc(Br)ccc1OCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 1984345 DMFLCDQFLNFEQT-ZDUSSCGKSA-N 447.398 5.648 30 10 IKEE C=CCOc1c(Br)cc(/C=C2/N=C(c3cccc(Cl)c3)OC2=O)cc1OC 2850216 TWWAENLCNDYZKC-CXUHLZMHSA-N 448.700 5.020 30 10 IKEE Cc1cc(C)cc(NC(=S)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)c1 3041828 WLJDNUAIFGXWIK-QYQHSDTDSA-N 448.979 5.194 30 10 IKEE COc1ccc(/N=C2\C(=O)N3c4c2cccc4[C@](C)(c2ccc(Cl)cc2)CC3(C)C)cc1 12406312 IUDYNTLFXDEGGH-SOTISXOUSA-N 444.962 6.304 30 10 IKEE Cc1ccccc1N/C=C1/C(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S1(=O)=O 20558940 HYSPFRWGUZDIHS-HMAPJEAMSA-N 438.936 5.135 30 10 IKEE C=CCC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)CC(C)C 36346780 RZITUVPRJDDNCW-DEOSSOPVSA-N 447.623 5.973 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCc4c(Cl)cccc4Cl)ccc3C2=O)cc1 39754070 BXJRBTCTAITXAW-JJFYIABZSA-N 427.283 6.197 30 10 IKEE O=C1/C(=C/c2ccc(-c3cccc(Br)c3)o2)Oc2ccc(Br)cc21 39842554 BMYQOFANRCJRLD-ZDLGFXPLSA-N 446.094 6.088 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@@H]1c1ccc(OCC)cc1 40085854 DCBPASYIHWPUMI-QHCPKHFHSA-N 437.536 5.171 30 10 IKEE C=CCc1ccc(OCCCCn2c(-c3ccc(C)cc3)nc3ccccc32)c(OC)c1 40249342 GVZYFILQLZSFHU-UHFFFAOYSA-N 426.560 6.608 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccccc4C)cc(C)c3C2=O)cc1OC 41284821 BOOQNHJZVNNUCD-QRVIBDJDSA-N 430.456 5.156 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(C)cc1)C2=O 41289996 PWMVMSDAJKQPQQ-XKZIYDEJSA-N 430.456 5.156 30 10 IKEE COc1ccc(CC(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)cc1 41358307 ZCHARFPRRMLSHZ-MYYYXRDXSA-N 442.511 5.757 30 10 IKEE COc1cc(/C=N/c2ccc(Cl)c(C(=O)O)c2)ccc1OCc1cccc(C(=O)O)c1 59248474 SCFAXTCEHQJRIV-BRJLIKDPSA-N 439.851 5.075 30 10 IKEE COc1ccccc1OCCSc1nc2ccc(/N=C/c3ccccc3O)cc2s1 59855061 SQCBCMVIRGRVGM-BUVRLJJBSA-N 436.558 5.932 30 10 IKEE C=C(C)COc1cccc(NCC(=O)Nc2ccc(OCCCc3ccccc3)cc2)c1 66063057 BQQYYZUQFGVRGL-UHFFFAOYSA-N 430.548 5.704 30 10 IKEE COc1ccc(-n2c(-c3ccc(F)cc3)cc(/C(C)=N/OCc3ccc(C)cc3)c2C)cc1 97632276 ITRYKBPKKZGFRK-TWKHWXDSSA-N 442.534 6.850 30 10 IKEE O=C(Nc1ccc(Cl)cc1)[C@@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2ccccc2)S1 100401205 GZMDMBUDQUVXMJ-AQTDBHCXSA-N 449.963 5.501 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1ccc(Br)cc1 100443300 DHZZIPPDVONPHD-UHFFFAOYSA-N 441.479 6.963 30 10 IKEE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)/C(=N\Nc2ccccc2)CC(C)(C)C3)cc1 101108888 UGDNGEOPZPVKJI-RRAHZORUSA-N 446.503 5.382 30 10 IKEE C=CCn1c(S[C@@H](C)C(=O)Nc2nccs2)nnc1-c1ccc(Cl)cc1Cl 101159588 BXYLCIUPBCTMGF-JTQLQIEISA-N 440.381 5.014 30 10 IKEE CCCCCCCCCCCn1c([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc2ccccc21 101323443 LHKKARLCVHRCNX-JOCHJYFZSA-N 449.614 7.227 30 10 IKEE COC(=O)c1ccc(/C=C2/S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1 101936122 FSXRBMXJBAXAIR-BVGVAWRYSA-N 442.540 5.146 30 10 IKEE CCCCCCCCCCCn1c([C@H](C)NC(=O)c2ccc(C)cc2C)nc2ccccc21 102115378 SQMNDTOBSBLXKY-DEOSSOPVSA-N 447.667 7.675 30 10 IKEE O=C(/C=C\c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O 103022193 ZHSXGZNCWRLPAZ-QVYYEQEPSA-N 437.278 6.228 30 10 IKEE CSc1nnc(COc2ccccc2)n1/N=C\c1ccccc1OCc1ccc(C)cc1 169916388 VGYLDELAGSTEBN-QQXSKIMKSA-N 444.560 5.349 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]2c2ccncc2)cc1 170021576 RVZOAPKTYOKHLF-JOCHJYFZSA-N 432.907 5.389 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2ccccc2)cc1 170048997 YYYRLKOFMUPYRC-XMMPIXPASA-N 441.483 5.322 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccc(F)cc2)c1 170060628 QSHOILWLGQYKRH-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)cc1 170070526 FACXNXHCNWPQPZ-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@@H]2c2ccccc2F)cc1 170072741 GPUCMNOUTAUHFU-JOCHJYFZSA-N 441.462 5.047 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccccc2C)c1 170088104 BWGMKXBQQWGVNG-HSZRJFAPSA-N 433.454 5.673 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2sccc2C)c1 170107658 RWJWYFWRDZLBJX-FQEVSTJZSA-N 427.566 5.067 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1CCCOC(C)C 170107678 JZAVVXWBFNRASX-SFHVURJKSA-N 433.957 5.103 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc(C)c2)cc1 170145413 BVIHRAAMGUSMCI-DEOSSOPVSA-N 433.548 5.695 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@H]1c1ccc(C(C)(C)C)cc1 170150250 OVRHLSAYZFNVKU-HSZRJFAPSA-N 435.564 5.680 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2O)[C@H]1c1cccs1 170160285 ATUSBZFILWMFKZ-NRFANRHFSA-N 449.528 5.170 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)[C@@H]2c2ccncc2)cc1 170204608 NAWFKMWHIUIDEP-QFIPXVFZSA-N 444.874 5.573 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2C2CCCC2)c1 170218704 TXNDQZMGICMMKJ-QHCPKHFHSA-N 431.488 5.352 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1cccc2ccccc12 170220759 ONNXQMWGDDVKPI-DEOSSOPVSA-N 445.515 5.235 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccccc2)cc1C 170224970 GABAAFAATVSJRE-XMMPIXPASA-N 443.499 5.185 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2)cc1 170226236 OEUQTPJKUVQLGU-DEOSSOPVSA-N 427.500 5.504 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@H]1c1ccccc1F 170252764 YRTLEULYZBPJAU-OAQYLSRUSA-N 425.500 5.120 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1ccccc1F 170253325 DCUQUSPFXDAYBZ-HSZRJFAPSA-N 439.527 5.690 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2C2CCCCC2)cc1 170266658 UJHBXBAAYMENJS-DEOSSOPVSA-N 433.548 5.477 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@@H]1c1ccc(CC)cc1 170267672 VHTPKGKRZLLMPB-NRFANRHFSA-N 427.928 5.289 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)CCCO3)=C(O)C(=O)N1C1CCCCC1 170275534 JGUMATGITABQQU-DEOSSOPVSA-N 431.532 5.231 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccco1 170281539 OHHQHZHPVYEMIC-QFIPXVFZSA-N 449.478 5.508 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C(C)(C)C)ccc3C)[C@@H]2c2ccco2)cc1 170284725 NRCROQMYCBAHIG-QHCPKHFHSA-N 445.515 5.677 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccco2)ccc1Cl 170285828 QHUIJZHCMRESOS-NRFANRHFSA-N 437.879 5.341 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccco2)cc1Cl 170288269 GABIREMPZHFIAT-HSZRJFAPSA-N 447.918 5.903 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccco2)cc1C(C)C 170296075 SIQCVHFWEXNHQW-QHCPKHFHSA-N 449.478 5.329 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(C)o2)cc1C 170299104 VRMQLAFCEOMLIU-QFIPXVFZSA-N 435.451 5.217 30 10 IKEE CCOc1ccc2c(c1)O/C(=C/c1cccc(OCC)c1OC(=O)c1ccccc1C)C2=O 210084745 KPWVXRKKAKXHBD-BUVRLJJBSA-N 444.483 5.628 30 10 IKEE C[C@@H](Nc1cc(Br)ccc1C#N)c1ccc(I)cc1 235219048 QNNLFTJEUOUVSH-SNVBAGLBSA-N 427.083 5.098 30 10 IKEE C=CCOc1c(Cl)cc(/C=C2/SC(=Nc3ccc(C)c(C)c3)N(C)C2=O)cc1OC 252625526 QLXKSMIXXCMNAE-UFDKDONYSA-N 442.968 5.764 30 10 IKEE O=[N+]([O-])c1cc(Br)c(O)c(C=Nc2cccc(-c3nc4ccccc4o3)c2)c1 252633375 WDIFZHDQNVMWOQ-UHFFFAOYSA-N 438.237 5.622 30 10 IKEE Cc1cc(C=Nc2ccc(N3CCOCC3)cc2)c(C)n1-c1sc2c(c1C#N)CCCC2 254750609 DVUCCWMTUFHVLB-UHFFFAOYSA-N 444.604 5.493 30 10 IKEE Cc1ccsc1[C@H]1C(c2cccc(OCC(C)C)c2)=C(O)C(=O)N1c1ccccc1C#N 526604907 LXHHTFDCVYGOTG-HSZRJFAPSA-N 444.556 6.020 30 10 IKEE CCOc1cccc([C@H]2C(c3cccc(OC)c3)=C(O)C(=O)N2c2ccccc2C#N)c1 526607276 UNAXPIBXGQRVCR-DEOSSOPVSA-N 426.472 5.023 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1/N=C\c1ccc(O)c(Br)c1 526799353 FPGAQXJPFPHNFU-XKZIYDEJSA-N 445.386 5.263 30 10 IKEE CCOc1cccc(/C=N\n2c(CC)nnc2SCc2ccc(Cl)c(Cl)c2)c1 526814325 JITGQSTVKNUFFQ-FMCGGJTJSA-N 435.380 5.721 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccc(OC(C)(C)C)cc1 526817412 LNOGRRTUEXCWIK-MXAYSNPKSA-N 446.979 5.985 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1ccc(Br)cc1 526818955 IRTHPWIIRRWPCF-QRVIBDJDSA-N 443.414 5.784 30 10 IKEE C=CCCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1cccc(Cl)c1 586222477 ZKZPWSGKKVPXKG-UHFFFAOYSA-N 427.953 5.690 30 10 IKEE CCCCCCNC(=O)Nc1ccc(C(=O)Nc2scc(C(C)(C)C)c2C#N)cc1 586631732 DRRJQDKIWLUJQX-UHFFFAOYSA-N 426.586 5.871 30 10 IKEE CC(C)c1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)cc1 698443588 KCCZPKRAFBQVQD-HXUWFJFHSA-N 429.358 6.579 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCCc2sccc21 698490024 RCCMAWOFBXXMOM-HXUWFJFHSA-N 433.371 6.007 30 10 IKEE CCCCCCCCCC[C@H](NC)c1scc(Br)c1Br 705454635 AXYLJUCSZZPZRF-AWEZNQCLSA-N 425.274 7.064 30 10 IKEE N#C[C@@H](C(=O)c1scc(Br)c1Br)c1c(F)cccc1Cl 705471140 XQWUIJYTEBMKFG-ZCFIWIBFSA-N 437.515 5.556 30 10 IKEE Cc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)c(Br)c1 710778399 SCRJDPQELWZDLU-SFHVURJKSA-N 435.749 6.417 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2ccc(Br)c(C)c2)c1 829353507 DKQPKEHMHQZLSM-LJQANCHMSA-N 431.330 5.773 30 10 IKEE O=C1/C(=C/c2c(Cl)cccc2Cl)SC(=Nc2nccs2)N1c1ccccc1 1772733301 IYBTWRZQLDHQOC-GJXXPDGXSA-N 432.357 6.259 30 10 IKEE COc1cccc(/C(C)=C2/SC(=Nc3ccncc3Cl)N(C3CCCCC3)C2=O)c1 1772737674 PURUORWJPKZMDG-DHPBROCDSA-N 441.984 6.070 30 10 IKEE CCN1C(=O)/C(=C(\C)c2ccc(Br)cc2)SC1=Nc1ccncc1Cl 1772739048 XQFSYHVUHQIVRZ-HLLBZCHMSA-N 436.762 5.512 30 10 IKEE CC[C@@H](Oc1ccccc1/C=C1\SC(=Nc2ccc(C)cc2O)N(CC)C1=O)C(C)=O 1772762176 BTMPEGZVTWFTBJ-YMGQBBTDSA-N 438.549 5.071 30 10 IKEE CCCCCCCCCNC(=O)[C@@H](C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1C 1860271376 ODTALUJCSXFUQM-OAQYLSRUSA-N 449.591 6.403 30 10 IKEE CCCOc1ccc(/C=C/C(=O)C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1OCC 1860728299 HUTFDLZTBFNDSS-YRNVUSSQSA-N 444.531 5.081 30 10 IKEE CCCCc1ccc(NC(=O)C(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1 1860728945 YVLFANHDJUGTBK-GHRIWEEISA-N 443.543 5.838 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1Cl 1862379570 FKLDCPDRLRMVAL-OAQYLSRUSA-N 438.310 5.772 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2ccc3c(c2)CCCN3C)cc1 1862394736 QHBNGLPMYAOTKV-RUZDIDTESA-N 446.591 5.400 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(C(C)C)cc2)cc1 1862394965 LJVDNMHPCRQKLY-SANMLTNESA-N 445.603 6.674 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2c(Cl)cccc2Cl)cc1C 1862406623 UHJWIKKYDRBVKI-LJQANCHMSA-N 434.319 5.297 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@H]1c1ccccc1)c1ccc(F)cc1F 1862412343 BRSOWBRKZGWGQH-QHCPKHFHSA-N 433.454 5.176 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(C)cc2)cc1 1862475153 FKHVZRFEHIDSKV-FQRUVTKNSA-N 439.555 6.205 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 1862531045 DWFBFVAWFZCHJK-XMMPIXPASA-N 443.543 5.918 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(Cl)cc1 1862535721 JFIVUJPHXPPYSQ-QFIPXVFZSA-N 425.956 6.061 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCC(C)C)cc1 1862565277 STHUDYUOKOCJAJ-QHCPKHFHSA-N 436.552 5.072 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1cccc(OC)c1 1862591761 NANSTULBSFXKRQ-QHCPKHFHSA-N 437.536 5.340 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C2CCCCC2)c1 1862597189 SDOQIJQWAOVVPX-QHCPKHFHSA-N 435.520 5.092 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(C(C)C)cc1 1862651094 LHDXKXGMIULWAE-AREMUKBSSA-N 441.571 6.588 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc2cc[nH]c2c1 1862714010 BQGHNYVDISJABW-RUZDIDTESA-N 438.527 6.090 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(-c3ccccc3)cc2)=C(O)C(=O)N1C1CCCC1 1862721717 JEQNNWWAPVRDMY-AREMUKBSSA-N 437.539 6.183 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cccc(Cl)c3C)C2=O)cc1 1862886308 BYIUBSXEBCRZNP-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccccc3C(C)(C)C)C(=O)N(c3ccccc3C#N)C2=O)c1 1863036966 OATDUHHCRLJMBL-UHFFFAOYSA-N 449.554 5.869 30 10 IKEE CCCC[C@H](NC(=O)C[C@H](c1ccc(Cl)cc1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866764636 WFWUMSWXLKNZSV-GOTSBHOMSA-N 439.987 5.655 30 10 IKEE Cc1c(Cl)cccc1-n1nnc(C#N)c1NC(=O)CCCOc1ccc2ccccc2c1 1870144950 PEEHUIYUZYSWDV-UHFFFAOYSA-N 445.910 5.052 30 10 IKEE CCCCCCCOc1cn(CCCOC(C)C)c(CN(CCC)CCCC)cc1=O 1870411599 GVKCWCRDILIBHQ-UHFFFAOYSA-N 436.681 6.025 30 10 IKEE C=CCn1cc(OCc2c(Cl)cccc2Cl)c(=O)cc1CN(CCC)CCCC 1870602401 ZPLKURZOJIHGAQ-UHFFFAOYSA-N 437.411 5.932 30 10 IKEE C=CCn1cc(OCc2c(C)cccc2C)c(=O)cc1CNc1cccc([N+](=O)[O-])c1C 1870920757 UHIATTUKGIXYEU-UHFFFAOYSA-N 433.508 5.059 30 10 IKEE C#CCOc1cn(CCCCc2ccccc2)c(CNc2cccc(Cl)c2C)cc1=O 1871006911 BGJVBXLMWUSUPE-UHFFFAOYSA-N 434.967 5.457 30 10 IKEE CCc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(CCc3ccc(C)cc3)C4)C2=O)cc1 1871359038 GAQYUDJANBJVBP-YSMPRRRNSA-N 439.555 5.877 30 10 IKEE CCc1ccc([C@@H](C)N2COc3c(cc4c(c3C)O/C(=C\c3cccs3)C4=O)C2)cc1 1871360078 NHNJTKDPYOXWGZ-SUVVMJBMSA-N 431.557 6.148 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(Cl)cc4[N+](=O)[O-])cc(C)c3C2=O)o1 1871373292 XFMFOFFJCUKDOM-OCKHKDLRSA-N 439.807 5.293 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871389253 MQFFKFBBIMWLLL-HAHDFKILSA-N 442.467 5.454 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccccc2)C3=O)cc1 1871412184 WDNJFFDVWAVPAN-WSLHGYQHSA-N 427.500 5.580 30 10 IKEE CCCC[C@@H](Oc1cc(C)c2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O)C(=O)O 1871423098 MISANKWMBRTVOG-TXUMJUCDSA-N 442.511 6.300 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C(C)(C)C)cc4)ccc3C2=O)cc1 1871445586 YLLPGTYHRVGZEZ-MYYYXRDXSA-N 441.527 5.926 30 10 IKEE CCCCCCCCCCN=c1nc(N(C)C)[nH]c(=Nc2cccc(C(F)(F)F)c2)[nH]1 1871500099 KVWBDXBMOUNDSF-UHFFFAOYSA-N 438.542 5.096 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)cc1)[C@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1871776817 PJUDCXDAPWBKDL-GCJKJVERSA-N 449.016 5.269 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(Cl)cc1C)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872488390 MQXZYYDSWGTTHH-JOCHJYFZSA-N 449.016 5.105 30 10 IKEE N#C[C@@H](C(=O)CCCOc1ccc(Cl)cc1Cl)c1nc(-c2cccs2)cs1 1872773920 BHNMNTVVYMUXPZ-ZDUSSCGKSA-N 437.373 6.214 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(C(C)(C)C)cc3)n2)c1C 1872778064 CMJOJJKIFINVPQ-YYVWFHOOSA-N 442.628 7.231 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@@H](C#N)C(=O)c2cc(Cl)ccc2Cl)n1 1872781867 ZAOCUQCVNHHYFU-INIZCTEOSA-N 431.344 6.232 30 10 IKEE N#C[C@@H](C(=O)CCCOc1ccccc1Cl)c1nc(-c2ccc(Cl)s2)cs1 1872789473 KARBPYWCTFFUGV-LBPRGKRZSA-N 437.373 6.214 30 10 IKEE N#Cc1nc(-c2ccccc2)oc1N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1873471018 URMQQTLAPNVYRP-JFLMPSFJSA-N 428.879 5.892 30 10 IKEE CCCCCCCCNC(=O)COc1ccc2cc(-c3ccc(F)cc3)c(=O)oc2c1 1873891723 KPUIZYKLTQVKHG-UHFFFAOYSA-N 425.500 5.455 30 10 IKEE CCCCCCCCCCNC(=O)COc1ccc2c(=O)c(-c3ccccc3)coc2c1 1873935041 FGVAYWAXBPGKEK-UHFFFAOYSA-N 435.564 6.096 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CCCOc3cccc(C)c3)nnc2SC)cc1 1874245639 OPVANAWCMVFJKO-XIEYBQDHSA-N 438.597 5.381 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1cccc2ccccc12 1874249944 PJMMTJIWBNDXJZ-ZXVVBBHZSA-N 444.604 6.136 30 10 IKEE C=CCSc1nnc(CCc2cccc(OC)c2)n1/N=C/c1ccc(Cl)cc1Cl 1874310589 DHGAAJWDDQZLDU-ZVHZXABRSA-N 447.391 5.539 30 10 IKEE CCSc1nnc(-c2ccccc2Cl)n1/N=C/c1cc(Br)ccc1O 1874366327 DCFDTHQXWLFBAT-KEBDBYFISA-N 437.750 5.061 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2)n1/N=C/c1ccc(F)cc1F 1874395804 WCLQCVBZONBGHB-JEWIKEISSA-N 434.515 5.883 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2F)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874438405 DILUEGZRPVVRAN-YDZHTSKRSA-N 427.505 5.089 30 10 IKEE Clc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2[C@@H]2CCCO2)cc1 1874450304 YMKDJRUTKQDOGR-KCDOPAPYSA-N 433.364 5.611 30 10 IKEE COCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccccc1OC(C)C 1874474006 HYICXHURACUXEE-ZVHZXABRSA-N 444.988 5.082 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874476499 PGCJPUAEXBNBMX-FSJBWODESA-N 447.923 5.496 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1/N=C/c1ccc(OCC)c(OC)c1 1874477516 COJLYWSOXTZJBH-PCLIKHOPSA-N 438.597 5.511 30 10 IKEE CC(C)Cc1nnc(SCCc2ccccc2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874490303 JSFFLJOBFOKRRD-OEAKJJBVSA-N 443.960 5.255 30 10 IKEE COCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccc(F)cc1F 1874502564 OLAVYAGRYDUQPH-LIMNOBDPSA-N 443.306 5.184 30 10 IKEE Sc1nnc(-c2ccco2)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 1874559627 CQHCSAVDJTXIGZ-FOKLQQMPSA-N 445.331 5.595 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc3ccccc3c2)c1OCc1ccccc1C 1874571216 BNHYYVJDHYYJLP-BUHFOSPRSA-N 442.942 7.285 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1OC 1874572144 YAOPVIFSWKNOFC-DHZHZOJOSA-N 443.326 6.486 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c1 1874575600 WBHUCCHRPYHOHF-FMIVXFBMSA-N 430.460 5.125 30 10 IKEE O=C(COc1cccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c1)Nc1ccccc1 1874592771 AUSZJHBBGIBROB-XMHGGMMESA-N 433.507 6.267 30 10 IKEE CCc1ccccc1NC(=O)COc1cccc(/C=C/C(=O)c2cccc3ccccc23)c1 1874597260 CADRJSNGOVTVBJ-ISLYRVAYSA-N 435.523 6.316 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)c(OCC(=O)OCC(C)C)c(OC)c2)cc1 1874604571 UVTHMMQDWMKPHL-DHZHZOJOSA-N 430.928 5.385 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)cc1 1874614025 ZPNMJPDUZLAXGC-MDWZMJQESA-N 440.898 6.362 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OCc3cccc4ccccc34)c([N+](=O)[O-])c2)c1 1874618148 MDQUGOWMKWEQCK-WYMLVPIESA-N 437.495 6.840 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccc(OCc2ccccc2F)cc1 1874628862 ZMBMDSCGUOBKIQ-DHZHZOJOSA-N 431.290 6.616 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc(OC)c1OCc1ccccc1 1874637771 QTAUEFOLPBBSGQ-BUHFOSPRSA-N 442.555 6.524 30 10 IKEE CCOc1c(Br)cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1OC 1874638290 RMROIWVYQOUSNI-QPJJXVBHSA-N 430.125 6.059 30 10 IKEE CCCCCCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(C)cc1 1874680404 SYIQVVMTPOUCPY-RUZDIDTESA-N 433.596 5.893 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)COc3cccc(OC)c3)c2)cc1 1874694872 YSTKVVYZBICYOM-GXDHUFHOSA-N 446.499 5.147 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3cc(Cl)ccc3Cl)c2)c1 1874703430 PKZUEAWOIPZRQC-DHZHZOJOSA-N 425.311 6.726 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OC(=O)[C@@H](C)c1ccccc1 1875095751 FVHHWLTVGTVCAT-GRFAERAESA-N 436.507 6.454 30 10 IKEE CC(C)(C)C(=O)Oc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1Br 1875116446 BTXHVXVGGJWVIT-ONNFQVAWSA-N 432.270 5.205 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)c1ccccc1C 1875131196 MANGFZIFOLTHHS-ZRDIBKRKSA-N 434.919 6.389 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Br)c1OC(=O)CC(C)C 1875136694 HHIVHDMIKDCRMF-DHZHZOJOSA-N 445.353 6.004 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2OCC)cc1 1875140714 UHMLXXOPVZAHHF-OQLLNIDSSA-N 444.527 6.216 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(Cl)c(C)c3)cc2)ccc1F 1875141334 ZDEMZIOPOLWIRK-LFYBBSHMSA-N 438.882 5.976 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(OC)c1OC(=O)C(F)(F)F 1875154659 PWRXIRLHFCNLGP-OUKQBFOZSA-N 440.417 5.941 30 10 IKEE CCCCC(=O)Oc1c(OCC)cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] 1875157307 YHWQIYMWMVKNAF-NTEUORMPSA-N 439.508 6.109 30 10 IKEE CCCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc1OC 1875182279 VIGZGWBMOQCFIX-MDZDMXLPSA-N 446.927 5.666 30 10 IKEE CC1(C)C[C@@](C#N)([C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CO1 1875631971 CZHIHBDGTUCRPW-XCZPVHLTSA-N 443.543 5.587 30 10 IKEE C#CC[C@@H](C[C@@H](NC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C1CC1 1887464981 QNWLTRIQQUDAMX-XTEPFMGCSA-N 439.599 6.545 30 10 IKEE N#Cc1ccc(CNC(=O)CC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1F 1891886142 BUELBQXCAHFPIB-UHFFFAOYSA-N 434.514 5.738 30 10 IKEE C[C@@H]1[C@@H](Nc2cc(Br)c(C#N)cc2F)CC(C)(C)CN1Cc1ccccc1 1916248943 XELIGTSBDUBRSA-VFNWGFHPSA-N 430.365 5.561 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1cc(NC(=O)OC(C)(C)C)c2ccccc2n1 1922126806 WHBSHJGSBBNFBT-RUZDIDTESA-N 447.579 6.005 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C 1926639277 QFMCLVXKZGGDPX-LOSJGSFVSA-N 444.660 5.991 30 10 IKEE CCCCCCCCC[C@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NC 1947489317 KNIIVZLZJGWFBD-DNQXCXABSA-N 434.665 6.215 30 10 IKEE C=CCC[C@H](C)[C@@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 1996467650 RJTSQUOQRHXNJY-POGFHVCPSA-N 429.649 5.126 30 10 IKEE C=CCN(CC(=O)Nc1c(Cl)cc(Cl)cc1Br)C(=O)OC(C)(C)C 2024059987 XJVDELTUIMYWOQ-UHFFFAOYSA-N 438.149 5.118 30 10 IKEE C=C(C)[C@@H](O)CC[C@@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 2037784274 MHGLNDDJLDJDBG-UQEZDXEVSA-N 442.728 7.140 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)C2(C#N)[C@H](C)CN(C(=O)OC(C)(C)C)C[C@H]2C)cc1 2042148502 MEYQGETXLFAHSS-RTBURBONSA-N 443.588 5.522 30 10 IKEE C[C@@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)[C@@H](OCc2ccccc2)C1 2043777244 UWPCEBXGVXJFMS-BLFHIAQRSA-N 438.543 6.235 30 10 IKEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2045242568 YYFVRARKVJESCH-BXKMTCNYSA-N 447.551 5.497 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)c(Br)c1)NCC 2047970420 KELIYJFFWZNQPJ-IAGOWNOFSA-N 431.802 5.093 30 10 IKEE CCCN[C@]1(C#N)C[C@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)CC[C@@H]1C 2055581783 BFQUESOGRMXNNW-VCTRFXNDSA-N 432.656 5.071 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)C2(C#N)CC3(CC(NC(=O)OC(C)(C)C)C3)C2)c1 2056504911 WZGXJJHEEMOZTA-UHFFFAOYSA-N 441.572 5.466 30 10 IKEE C=C(C[C@@H](NCCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)OC 2071268433 XNXMSUHILXUSGJ-AREMUKBSSA-N 431.576 6.436 30 10 IKEE Cc1ccc([C@@H](C2CCC2)n2nc(C3CCC3)c(C#N)c2I)c(C)c1 2079038115 VMENPYBIKGWCQH-HXUWFJFHSA-N 445.348 5.633 30 10 IKEE CC(C)c1nn([C@@H](c2ccc(C3CCC3)cc2)C2CC2)c(I)c1C#N 2079928092 AWOQCYYDKDWGEO-FQEVSTJZSA-N 445.348 5.750 30 10 IKEE Cc1ccc([C@H](n2nc(C(C)(C)C)c(C=NO)c2Br)C2(C)CC2)c(F)c1F 2079939915 URCXTNIIUYQXTM-KRWDZBQOSA-N 440.332 5.727 30 10 IKEE Cc1cc(C)c([C@H](C(C)C)n2nc(C(C)C)c(C#N)c2I)c(C)c1 2079993385 QVDJTNAIZIXCTA-IBGZPJMESA-N 435.353 5.653 30 10 IKEE Fc1ccc(-c2c(C(F)(F)F)nn(C3CCC3)c2Br)cc1C(F)(F)F 2080930723 TYNRFRINICYYPC-UHFFFAOYSA-N 431.149 6.214 30 10 IKEE N#C[C@@H](C(=O)CSc1nc2ccccc2s1)c1nc2c(s1)CCc1ccccc1-2 2084272952 DHDXXYDFVKEUMW-HNNXBMFYSA-N 433.583 5.487 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Cl)c(Br)c1F 2102886048 AZCFNZWHLNQQNL-WMLDXEAASA-N 447.776 5.199 30 10 IKEE CN1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Br)CC12CCCC2 2156880336 RKQPRDNQDSUFHD-OAQYLSRUSA-N 434.378 5.101 30 10 IKEE CC1(C)CC2(CC([C@@H](C#N)N(C(=O)OC(C)(C)C)c3ccc(Br)cc3)C2)C1 2158844670 KEBNMGWHZPNDJY-GOSISDBHSA-N 433.390 6.299 30 10 IKEE C[C@H](NC(=O)OC(C)(C)C)c1cccc(Nc2cc(Br)c(C#N)cc2F)c1 2162323776 KBKMFUYKJCPMBG-LBPRGKRZSA-N 434.309 5.789 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](CNc2ccc(C#N)c(Br)c2F)CC12CC2 2172016043 IBCGVRZHAYIXLV-ZDUSSCGKSA-N 438.341 5.051 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)CCCCN(C)C(=O)OC(C)(C)C 2235734418 XBOVNMXMYLKAFD-LJQANCHMSA-N 437.422 5.206 30 10 IKEE C=CCCCC[C@@H](NCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237397555 DCHOGXWMTGNYBC-UXHICEINSA-N 439.438 5.609 30 10 IKEE C=C([C@@H](NCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)C(C)(C)C 2237429301 APIUYYHBUGNIOY-RTBURBONSA-N 439.438 5.465 30 10 IKEE C=C1CC(C[C@H](NCCC)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)C1 2248486758 MHSNQCIKVLBJCR-QHCPKHFHSA-N 428.617 5.165 30 10 IKEE CCCN[C@@H](C#CC1CCCCC1)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2251414595 SPGCBVYZZRVMBU-BJKOFHAPSA-N 428.617 5.048 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](Nc2ccc(Br)c(C#N)c2)C[C@H]2CCCC[C@@H]21 2279540676 ZHIOZXPADSYRNR-BJZITVGISA-N 434.378 5.301 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1cc(Br)cc(C(C)(C)C)c1 2288665359 FYSJAYBKXNDVON-OALUTQOASA-N 439.438 5.867 30 10 IKEE C#CCN1C(=O)SC(=Cc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O 2293983546 IEKMDENAYOCECQ-UHFFFAOYSA-N 448.378 5.075 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)C[C@H](CC)CNC(=O)OC(C)(C)C 2296218394 DKRQKXMOPBJFFS-PXNSSMCTSA-N 437.422 5.110 30 10 IKEE C[C@H](NC(=O)OC(C)(C)C)c1ccc([C@@H](O)C#Cc2cccc(Br)c2)cc1 2296218851 IXFBUMMAUYJQJO-YWZLYKJASA-N 430.342 5.120 30 10 IKEE CCN[C@@H](C#Cc1cccc(Br)c1)C(C)(C)C(C)(C)NC(=O)OC(C)(C)C 2296277439 SDYCBLBKMRHBAA-SFHVURJKSA-N 437.422 5.108 30 10 IKEE CCC[C@H](CCNC(=O)OC(C)(C)C)CC[C@H](N)C#Cc1cccc(Br)c1 2296279044 KRTRHAXCOCKMIR-PXNSSMCTSA-N 437.422 5.239 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H](CC1CCCC1)C(=O)C#Cc1ccc(Br)cc1 2296280288 YTHLTKPEKPXEHO-GOSISDBHSA-N 434.374 5.091 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)CCCN(C(=O)OC(C)(C)C)C(C)C 2296308239 FLBWUNANMAUUBT-FQEVSTJZSA-N 437.422 5.204 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 2310843685 FDXXIQDBUNTIMS-NBCVKUGOSA-N 432.564 6.014 30 10 IKEE CSCC#C[C@@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2314603085 YATMCBWURIOLPK-RUZDIDTESA-N 447.600 5.227 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)C2(NC(=O)OC(C)(C)C)CCCC2)c1 2318914089 HEWGAMDINKPHJN-LJQANCHMSA-N 445.560 5.166 30 10 IKEE CC(C)[C@@H]1C[C@H](Nc2ccc(Br)c(C#N)c2)CN1C(=O)OCc1ccccc1 2321252441 GWDVIUWCOARFNI-FPOVZHCZSA-N 442.357 5.168 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2)Oc2c1ccc1c2CN(Cc2cccc(Cl)c2)CO1 2322211025 INGXAJDLQFXTCA-UHFFFAOYSA-N 438.310 5.962 30 10 IKEE Cc1cccc(C)c1OCCCc1nnc(S)n1N=Cc1ccc(Cl)c(Cl)c1 2322214746 HUGAAXLUNYPKCK-UHFFFAOYSA-N 435.380 5.384 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2cccc(C)c2C)cc1 2322607134 QNMHWWAXNKGODZ-UHFFFAOYSA-N 443.543 6.006 30 10 IKEE CCc1ccc(NC(=O)COc2ccccc2C=CC(=O)c2cc(C)cc(C)c2OC)cc1 2322845632 LNBWCRSJOXYKGR-UHFFFAOYSA-N 443.543 5.788 30 10 IKEE Cc1c(OC(=O)C=Cc2cccc([N+](=O)[O-])c2)ccc2c1OC(=Cc1ccccc1)C2=O 2323437348 WKRIYLBMCJGCIH-UHFFFAOYSA-N 427.412 5.138 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)c1 2323486091 JUUQQUADRVAUFB-UHFFFAOYSA-N 449.459 5.096 30 10 IKEE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccco2)C3=O)cc1OCC 2323540544 QNWVTOUWGWFMNE-UHFFFAOYSA-N 448.471 5.693 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)c3ccc4nc(C)c(C)nc4c3)ccc2C1=O 2323554883 HCDACXXHURNCNB-UHFFFAOYSA-N 436.467 5.390 30 10 IKEE CCCCCOc1ccc(C=NNc2nc(-c3ccccc3OC)cs2)cc1OCC 2323854324 LIHVQKOMRVIULN-UHFFFAOYSA-N 439.581 6.232 30 10 IKEE Cc1c(OCCCc2ccccc2)ccc2c1OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2324272446 QBPBXPOHYWETRV-UHFFFAOYSA-N 446.546 7.290 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccc(OCCO)c(Br)c1 2324325222 HHRQKXKWFMLNCR-UHFFFAOYSA-N 446.124 5.032 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OCc3ccccc3Cl)c(Cl)c2)c1C 2324339362 UREOPBCDYQFXAB-UHFFFAOYSA-N 439.382 7.702 30 10 IKEE COc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1cccc(F)c1)C2=O 2324473765 CGCDUYLNSWGOMX-MRXNPFEDSA-N 447.462 5.165 30 10 IKEE Cc1cc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(Cl)c(Cl)c3)n2)ccc1F 2324563934 IMZUEWTXDMXJID-OAHLLOKOSA-N 431.319 6.454 30 10 IKEE CC(C)CCOC(=O)CCOc1ccc2c(c1)OC(=Cc1cn(C)c3ccccc13)C2=O 2325103791 NKXKJBQGHZMNCS-UHFFFAOYSA-N 433.504 5.153 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccccc1C 2325532599 LXEBVMZVTIETJL-UHFFFAOYSA-N 433.408 6.410 30 10 IKEE COc1ccc(CCOc2ccc3c(c2)OC(=Cc2c(Cl)cccc2Cl)C3=O)cc1 2325631233 MUGKBAXFXBCTRZ-UHFFFAOYSA-N 441.310 6.240 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4cccc5ccccc45)c3C)C2=O)o1 2325707540 NNNGMMPMFBGXKM-UHFFFAOYSA-N 439.467 5.683 30 10 IKEE COc1ccccc1CCC(=O)Oc1cccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)c1 2325722526 HHDXUMXXYATIBH-UHFFFAOYSA-N 431.444 5.038 30 10 IKEE CCC(=O)Oc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)c(Br)cc1OC 2325746246 NHCSTBPDBNIRMQ-UHFFFAOYSA-N 445.353 5.967 30 10 IKEE COc1ccc(C(=O)Oc2cc(C=CC(=O)c3ccc(C)c(C)c3)ccc2OC)cc1OC 2325759718 PWOAUIYFZXMVHD-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE C=C(C)CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1sccc1C 2326130632 CXAIJRXSRRPBIA-UHFFFAOYSA-N 447.029 6.048 30 10 IKEE Cc1ccc(CSc2nnc(Cc3cccc4ccccc34)n2N=Cc2ccco2)cc1 2327705005 OYDBHCLSYMLGGA-UHFFFAOYSA-N 438.556 6.098 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1cc(Cl)ccc1O 2328179718 PQBFAWZLCLPIEZ-UHFFFAOYSA-N 433.021 6.261 30 10 IKEE CCOc1cc(C=NNc2ccc3c(=N)[nH][nH]c3c2)ccc1OCc1ccccc1Cl 2328801277 NKRPOGVOANNFTF-UHFFFAOYSA-N 435.915 5.053 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc4ccccc34)n2N=Cc2ccccn2)cc1 2330019749 NJTALQFFBMWANJ-UHFFFAOYSA-N 449.583 5.900 30 10 IKEE Oc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccc(Cl)cc2)cc1 2330282824 OQDNDWBBKSIRFT-UHFFFAOYSA-N 441.000 5.934 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 2330621592 BGZKMNHCDLPOMU-UHFFFAOYSA-N 429.472 6.008 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc4c(c3)OCO4)c(Cl)c2)cc1 2330961578 QMEHAQRFYLDUFZ-UHFFFAOYSA-N 436.847 5.193 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2Cl)cc1 2331224340 PAXAOAQYEFXTAS-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC(=O)CCOC 2331250601 JQPPLMIJJWHVOJ-UHFFFAOYSA-N 449.330 5.569 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1ccc(F)cc1F 2331293025 JQYWAGPPPKYEKZ-UHFFFAOYSA-N 448.465 6.126 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)c1 2331318342 AKTMXWUNVNIIMU-UHFFFAOYSA-N 425.311 6.726 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)[C@@H](C)c1ccccc1 2331334770 JANCHHRBXLXABD-SFHVURJKSA-N 448.490 5.757 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1cc2ccccc2n1C 2331350587 DHQGIXUNIFOAHR-UHFFFAOYSA-N 443.474 5.750 30 10 IKEE CCc1ccc(C=Nn2c(SCC(=O)Nc3ccccc3CC)nnc2C(C)(C)C)cc1 2331376380 YOGVDEKXBHNIRD-UHFFFAOYSA-N 449.624 5.313 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(O)c(O)c1 2331402697 HCUGDFSXOLCWRQ-UHFFFAOYSA-N 432.549 5.315 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)CC1CCCCC1 2331555699 IPNMSFXBDVRXRB-UHFFFAOYSA-N 444.474 5.754 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccco3)c(Br)c2)c(C)c1 2331768850 MDIXXZMCGUBLQE-UHFFFAOYSA-N 439.305 6.083 30 10 IKEE Cc1ccc(NC(=O)OC(C)(C)C)c(C(=O)N2CC[C@@](C)(B3OC(C)(C)C(C)(C)O3)C2)c1 2342472806 QEZLZUAWEYHMAO-XMMPIXPASA-N 444.381 5.040 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)c1c(C)c(C)c(Br)c(C)c1C 2345960371 WOGXIDGLHRORGW-VQIMIIECSA-N 425.411 5.542 30 10 IKEE CC(C)C1CCC(C#N)(Cc2ccc(I)c(Br)c2)CC1 2377407072 IDIFILKPVXDDGV-UHFFFAOYSA-N 446.170 5.952 30 10 IKEE C=CCOc1ccccc1NC(=O)COc1c(Cl)cc(Cl)cc1Br 9816211 FYKAYSYYXZONJD-UHFFFAOYSA-N 431.113 5.338 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(Cl)c2)cc1 21238494 PIZNLDHAJQCANQ-WINIVTDRSA-N 444.962 6.718 30 10 IKEE COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2OC)C3)c1 21244310 OBJRFQJSGKKWBG-MYUZEXMDSA-N 426.516 5.683 30 10 IKEE Cc1ccc2oc(=O)cc(CSc3nc(C(C)(C)C)cc(C(F)(F)F)c3C#N)c2c1 27750924 RLHBJCOHZIBFMK-UHFFFAOYSA-N 432.467 5.977 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc3C2=O)cc1 39753822 FWMLNCVDJAPILC-XYGWBWBKSA-N 442.511 6.218 30 10 IKEE Cc1cc(C)cc(-n2c(C)cc3c2CC(C)(C)C/C3=N\OC(=O)c2ccc([N+](=O)[O-])cc2)c1 39853176 PDQQEWTUYNRRRT-SLEBQGDGSA-N 445.519 5.844 30 10 IKEE Cc1c(/N=N/c2c(Cl)cccc2Cl)c(O)n(CCc2ccccc2)c(=O)c1C#N 39870669 RWEMZMVRHVHBBZ-OCEACIFDSA-N 427.291 5.699 30 10 IKEE Cc1c(C(=O)NCc2ccccc2)oc2c1/C(=N/Nc1cccc(C(F)(F)F)c1)CCC2 40824014 APFLGQNVYXNCSV-NDZAJKAJSA-N 441.453 5.689 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)COc1cccc2ccccc12 100061276 HKKGMOHXJTWGGZ-UHFFFAOYSA-N 425.657 7.816 30 10 IKEE CCCCCCCOc1cccc(NCC(=O)Nc2ccc(CCC(=O)N(C)C)cc2)c1 100090505 UQNUIBAKSUZXBZ-UHFFFAOYSA-N 439.600 5.107 30 10 IKEE CCCCCCCOc1cccc(NC(=O)CNc2ccccc2OC[C@H]2CCCO2)c1 100094393 HUXAZIAZJJCHIS-HSZRJFAPSA-N 440.584 5.644 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2ccccc2Br)cc1 100154123 UQLJSRIDQHRVCU-UHFFFAOYSA-N 449.414 5.925 30 10 IKEE CCCCCCCOc1cccc(NC(=O)c2ccc(OCCc3ccccc3)cc2)c1 100246348 JXCULZYNNYNVRF-UHFFFAOYSA-N 431.576 6.910 30 10 IKEE CCCCCCCOc1cccc(OCC(=O)N(Cc2ccccc2)Cc2ccccc2)c1 100973259 MZJUCEARSNYCNE-UHFFFAOYSA-N 445.603 6.644 30 10 IKEE COc1cc(/C=N/Nc2cccc(C(=O)O)c2)ccc1OCc1ccc(Cl)cc1Cl 107940838 QIGNXMDHWIGUBE-BRJLIKDPSA-N 445.302 5.725 30 10 IKEE CC(C)COc1c(Cl)cc(/C=N\n2c(S)nnc2Cc2cccs2)cc1Cl 169914052 MPJZRLQSDZHOME-NKVSQWTQSA-N 441.409 5.443 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(OC)cc2)cc1 169921998 QANWXIDEDIPTRA-QHCPKHFHSA-N 431.463 5.180 30 10 IKEE CCN1C(=S)N[C@@H](c2c(OCc3ccccc3)ccc3ccccc23)C(C(C)=O)=C1C 169933141 BEPFQQIANTWQKN-RUZDIDTESA-N 430.573 5.533 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(F)cc2)cc1 170062070 ALXNYPHDXAZGNW-HSZRJFAPSA-N 443.430 5.363 30 10 IKEE CCCCCCCCN1C(=O)C(Sc2ccc(Cl)cc2)=C(c2ccc(C)cc2)C1=O 170077495 SFCBKDMYADLPOY-UHFFFAOYSA-N 442.024 6.881 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1c[nH]c2ccccc12)c1cc2ccccc2o1 170077868 IEIJVUHHJNPDNW-XMMPIXPASA-N 449.466 5.088 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccc(N(C)C)cc2)o1 170099929 RIHSKFMVLPQDBV-OAQYLSRUSA-N 436.895 5.090 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1ccc(OC)cc1 170116565 HSLLRFNMNYKXBN-QHCPKHFHSA-N 437.536 5.251 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(N(CC)CC)cc1 170138707 OALQFEWPHYVFHC-RUZDIDTESA-N 446.591 5.400 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2cccs2)c1 170154001 MHZMGJKVAKRHRT-QHCPKHFHSA-N 441.508 5.693 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2cccs2)cc1C 170157901 QKOKSOWXZQQICA-JOCHJYFZSA-N 428.513 5.629 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1cccnc1)c1ccc2ccccc2c1 170197539 SBOFWFMYLIRAMI-XMMPIXPASA-N 438.458 5.152 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(Cl)c3)[C@H]2c2ccncc2)cc1 170201154 HUTVUIPOJRCVNG-JOCHJYFZSA-N 448.906 5.089 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(F)cc1 170240179 JQZLMIRVZAIKSU-HSZRJFAPSA-N 427.431 5.663 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccccc1F 170249435 XDMSLEXHKRXVRV-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1cccc(O)c1)c1ccc2c(c1)CCCC2 170258111 VUXJBTGVAUFKEY-DEOSSOPVSA-N 443.474 5.193 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2c2ccccc2)cc1 170265370 HVEMFJZTCVUIHS-RUZDIDTESA-N 441.527 5.819 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2C2CCCCC2)cc1 170266727 UHDZTQCANDVGHJ-XMMPIXPASA-N 431.532 5.095 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@@H]1c1ccc(CC)cc1 170268243 QWRKZTMPSHYBOL-QFIPXVFZSA-N 441.955 5.680 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@@H]2c2ccco2)c1 170287176 LTWXSTWCGQHUQM-XMMPIXPASA-N 439.467 5.614 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(OC(C)C)cc2)c1 170331912 UYAAKGXSYZENRA-XMMPIXPASA-N 443.499 5.265 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2Cc2ccc(C(=O)OC(C)C)cc2)c1 170459112 CVVAIIYEMKXCKE-JOCHJYFZSA-N 449.547 5.071 30 10 IKEE CCCN(C=Nc1oc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)c1C#N)CCC 254816420 OXCSOZOKUFRGEN-UHFFFAOYSA-N 431.536 6.284 30 10 IKEE C[C@@H]1CC[C@@]23CC[C@@H]4[C@](C)(CC[C@H]5[C@]4(C)CC[C@H]4[C@@H](C)C(=NO)CC[C@]45C)[C@H]2[C@H]1OC3 254828660 SMVBJUJFMSJJCO-JCXRNUKHSA-N 427.673 6.927 30 10 IKEE 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@H]3CC[C@]21C 257460767 KAIVGEVOBNIWLR-VIDKNOIKSA-N 428.657 5.705 30 10 IKEE endogenous,in-man N#Cc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3Cl)[C@H]2c2ccc(F)cc2)cc1 526492103 UDPFBDSVTPLHPT-OAQYLSRUSA-N 439.273 6.061 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccc(C(C)C)cc1 526822010 QAAIBEICZKKMAK-VEILYXNESA-N 442.632 7.072 30 10 IKEE CCCCCCCC[C@H](N)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 686825066 YLTAFINLQFQGNH-DEOSSOPVSA-N 445.692 6.014 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@H](C#N)c1cccc(I)c1 698406427 KYIZGULIMAMQKZ-SFHVURJKSA-N 448.304 5.293 30 10 IKEE C=CCCCCC[C@@H](NCC)c1ccc(I)c(Br)c1 721644780 BBOHCLRTUNZBKO-MRXNPFEDSA-N 436.175 5.841 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)C1 724070175 MIKSYANVFACXHD-QMHKHESXSA-N 449.979 5.669 30 10 IKEE Cc1nc(O)c2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)cc2n1 1528035375 BSENYWWGHUEPON-UHFFFAOYSA-N 444.878 5.000 30 10 IKEE O=C1C(=C/C=C/C=c2/c3cccc4cccc(c43)n2Cc2ccccc2)C(=O)c2ccccc21 1615057224 RRHDPPACGPNJNB-HYYRZRJWSA-N 439.514 5.904 30 10 IKEE C/C(=C1/SC(=Nc2nc(C)cs2)N(C2CCCCC2)C1=O)c1ccc(Cl)cc1 1772736227 IREXALMUGFUKTE-ZUGBYVCQSA-N 432.014 6.432 30 10 IKEE CCN1C(=O)/C(=C(/C)c2ccc(OC)cc2)SC1=Nc1nc(-c2ccccc2)cs1 1772740297 ZPSJELFZYXSKBK-HYNSQCECSA-N 435.574 5.833 30 10 IKEE Cc1ccc(C[C@H]2SC(=NN=Cc3c(-c4ccccc4)[nH]c4ccccc34)NC2=O)cc1 1772741926 MYKYIBDUZRPUPA-HSZRJFAPSA-N 438.556 5.308 30 10 IKEE CC(=NOCc1ccc(Cl)cc1)c1cn(-c2ncc(C(F)(F)F)cc2Cl)c(C)n1 1848352925 QBMZJWBFVTWLAJ-UHFFFAOYSA-N 443.256 5.842 30 10 IKEE Cc1ccc(NC(=S)N/N=C\c2cn(-c3ccccc3F)nc2-c2ccc(F)cc2)cc1 1857810587 PXGHYQZSFHATSR-VYYCAZPPSA-N 447.514 5.446 30 10 IKEE CCOc1ccc(-c2cc(C(=O)Nc3ccccc3C#N)nn2Cc2ccc(F)cc2)cc1 1859407568 MVIJEHTXMWSXRB-UHFFFAOYSA-N 440.478 5.260 30 10 IKEE CCCCCCCCNC(=O)c1c2c(nc3c(Br)cccc13)CCN(CC)C2 1859575378 ZVTHYYHLVVKOOP-UHFFFAOYSA-N 446.433 5.466 30 10 IKEE Cc1ccc2nc(C)cc(C(=O)Nc3c(C#N)cnn3-c3cc(C)c4cccc(C)c4n3)c2c1 1859657057 PGTOAYODBVVLLP-UHFFFAOYSA-N 446.514 5.326 30 10 IKEE C[C@@H]1CCCC[C@H]1N(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 1859951328 XTHPHKMPTUZZIG-BFUOFWGJSA-N 447.394 7.089 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)COc1ccccc1OCC 1861631193 KICCVPGAJQAGBK-OAQYLSRUSA-N 434.621 5.006 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862431149 ANOYMQWGWRBELT-XMMPIXPASA-N 449.978 6.371 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccccc1C 1862441583 ALQHDADUXSPZBA-NFBKMPQASA-N 439.983 6.586 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1[C@H](C)c1ccccc1 1862443979 VCLQPINQWXOASR-UZUQRXQVSA-N 431.919 5.988 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(Cl)cc1Cl 1862498925 ULOLPCGUFWJKMQ-HXUWFJFHSA-N 432.347 5.989 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccccc2F)cc1 1862517210 IAWJMKSHLAQWGA-JOCHJYFZSA-N 425.500 5.239 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@H]2c2ccc(Cl)cc2Cl)cc1 1862522108 ZGGNCTJHRVNVEQ-IBGZPJMESA-N 434.319 5.380 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1cccc2ccccc12 1862531654 RILHBYMHBKIOFF-RUZDIDTESA-N 427.544 6.171 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1cccc(OC)c1 1862557738 OUGGGEKLLUEODQ-OFNKIYASSA-N 436.552 5.215 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2cccs2)cc1 1862561637 SGNDZIJFIGHKIY-QFIPXVFZSA-N 446.572 5.406 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc3cc[nH]c3c2)cc1F 1862641329 RILSTJOFOGACMF-HSZRJFAPSA-N 448.494 5.227 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccc1 1862649128 QTQRTKCMBWQPFE-AFMDSPMNSA-N 433.507 6.179 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(OCCC)cc1 1862655957 SVZUAOLWQGUQOI-XMMPIXPASA-N 427.500 5.393 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccc(Br)c1 1862670512 VULZBPOVPHBKOT-FQEVSTJZSA-N 442.353 5.561 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1F 1862674225 SZSYEDDXOYTUDV-XMSQKQJNSA-N 427.491 5.902 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc3cc[nH]c3c2)c1 1862679072 UQAXGQNPYPZVFE-XMMPIXPASA-N 440.474 5.394 30 10 IKEE Cc1ccc(NC2=C(c3ccccc3Cl)C(=O)N(c3ccccc3C#N)C2=O)cc1C 1863083171 LHZJZWIRYJOOKJ-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(F)c(C)c2)C1=O 1863462703 NIJUWDVNWVQCKA-NRFANRHFSA-N 433.527 5.557 30 10 IKEE C=CCn1cc(OCc2cccc(F)c2)c(=O)cc1CSCc1nc2ccccc2[nH]1 1870166741 IOIOFZRACCSMOF-UHFFFAOYSA-N 435.524 5.062 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(C)cc2)c(CSc2nccn2C)cc1=O 1870259621 AOJYWYOKXMWXCT-UHFFFAOYSA-N 439.625 5.580 30 10 IKEE CCCCCCCCN=c1nc2c(cnn2C)c(Nc2ccc(N3CCCCC3)cc2)[nH]1 1871295682 WAPXVLIYRNKMML-UHFFFAOYSA-N 435.620 5.292 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/C=C/c1ccccc1)O3)CN(CCOc1ccccc1)CO2 1871346698 RSPORAIYFBSAET-GXWRHTCTSA-N 439.511 5.398 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3cc(OC(=O)c4ccc(C)c(C)c4)cc(C)c3C2=O)c1 1871372734 HZCXXYBJHAKTTM-CFRMEGHHSA-N 444.483 5.464 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2C1=O 1871376465 MBIMMQDLTPARHH-YSMPRRRNSA-N 436.463 5.613 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OCCOc4ccccc4)c3C)C2=O)c1OC 1871397064 IFGQDFPVJAGTHM-KQWNVCNZSA-N 432.472 5.086 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc(Cl)c4C)ccc3C2=O)c1 1871427224 TWNBHKLFRFKLNJ-FMCGGJTJSA-N 433.891 5.591 30 10 IKEE CCc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2OC)C3=O)cc1 1871454617 UJULFZGQGRYEKF-OYKKKHCWSA-N 443.499 5.200 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)c1 1871454753 WEPHFYZVYQKSPQ-WGARJPEWSA-N 441.527 6.061 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(OCC)cc2)[nH]c(N2CCCCC2)n1 1871529587 DCAAIWWKMKCXSI-UHFFFAOYSA-N 426.609 5.199 30 10 IKEE CC(=O)Nc1ccc(-c2nc([C@@H](C#N)C(=O)CSc3ccc(C)cc3)sc2C)cc1 1872728123 ONMCDOLNZLZDHA-FQEVSTJZSA-N 435.574 5.354 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3c(C)cccc3C)n2)c(C)c1C 1872779032 ZYDQFQLQBZVZOW-OAQYLSRUSA-N 448.588 6.088 30 10 IKEE COc1cc(OC)c(-c2csc([C@@H](C#N)C(=O)Cc3ccc(F)cc3)n2)cc1Cl 1872783312 WQLXSPCQDCALMS-HNNXBMFYSA-N 430.888 5.039 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)C(Cl)(Cl)Cl)n2)c(OCC)c1 1872783513 BIKUCDCSAVCKSY-LBPRGKRZSA-N 433.744 5.154 30 10 IKEE Cc1c([N+](=O)[O-])cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1[N+](=O)[O-] 1872787837 SNZUTUTZDODQKO-SNVBAGLBSA-N 448.869 5.140 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(Cl)ccc3Cl)n2)cc1Cl 1872789574 NIKLPDZEWPVQLF-CYBMUJFWSA-N 437.735 6.269 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)c(F)c2)=C(c2cccc(OC)c2)C1=O 1873218346 ITUDIXJKCICMQY-UHFFFAOYSA-N 442.506 5.526 30 10 IKEE N#Cc1ccc(NC(=O)c2ccc(Cn3c(Cc4ccccc4)nc4ccccc43)cc2)cc1 1873510776 BNBUYKQORDTDOQ-UHFFFAOYSA-N 442.522 5.799 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccccc3Cl)n2/N=C/c2ccccc2)c1 1874365588 KHNLICBBYNAESI-CVKSISIWSA-N 432.980 6.390 30 10 IKEE Fc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccccc2)c(F)c1 1874402735 LGTSVXLABXAVSN-JVWAILMASA-N 434.515 5.516 30 10 IKEE CCCCCCOc1ccc(/C=N/n2c(SC)nnc2-c2cccs2)cc1OC 1874420269 YRKDFJADQIHWNT-PXLXIMEGSA-N 430.599 5.578 30 10 IKEE Clc1cccc(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2c[nH]c3ccccc23)c1 1874450605 GQKFZLMLFUUAJQ-HMHIXTCJSA-N 437.956 5.439 30 10 IKEE Clc1ccc(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2cccnc2)c(Cl)c1 1874450799 JRBFVHVIBAWIIH-HPMPDSITSA-N 434.352 5.006 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C(C)(C)C)c1O 1874484153 HYLKPQATUHSGBV-FSJBWODESA-N 430.961 5.118 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(C(C)C)n2/N=C/c2cccc3ccccc23)o1 1874513080 GLESGWCYVWAHJT-AFUMVMLFSA-N 448.548 5.499 30 10 IKEE CCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1/N=C/c1ccc(C(C)(C)C)cc1 1874525662 ZPGSFZZEEBUISD-CVKSISIWSA-N 449.624 5.368 30 10 IKEE CCOc1ccc(Cc2nnc(S)n2/N=C/c2ccc(OCc3ccccc3)cc2)cc1 1874565211 NJSVJPDMEUZDGJ-YZSQISJMSA-N 444.560 5.018 30 10 IKEE CC(C)(C)c1ccc(/C=N/n2c(S)nnc2CCCOc2ccc(Cl)cc2)cc1 1874569714 DSNVULHFWPINFI-BUVRLJJBSA-N 428.989 5.412 30 10 IKEE O=C(/C=C/c1cc(Br)ccc1OCCCO)c1ccc(-c2ccccc2)cc1 1874570248 SXMUVNQECGWJOF-ACCUITESSA-N 437.333 5.773 30 10 IKEE O=C(COc1ccccc1/C=C/C(=O)c1ccc(Cl)c(Cl)c1)Nc1ccccc1F 1874579068 VCIOQNYFZCJLBK-ZRDIBKRKSA-N 444.289 6.046 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCc2ccc(C)cc2)cc1F 1874582543 SUFDHKLPKJPVSV-CSKARUKUSA-N 440.898 6.280 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C)c(C)c2)c1OCC(=O)Nc1c(C)cccc1C 1874587749 BOVTVVUDZRYEMV-CCEZHUSRSA-N 443.543 5.842 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccccc1OCC(=O)NCc1ccccc1 1874590180 XAJJISVKKBGHKV-BMRADRMJSA-N 441.571 5.884 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OCc1c(Cl)cccc1Cl 1874595888 IANSAKZBWZXBBQ-UXBLZVDNSA-N 445.317 6.925 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1cccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c1 1874597174 XYSJIKGBDXKSTR-SFQUDFHCSA-N 441.571 6.515 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)cc1 1874608563 VCIHTLIOQQDCNI-KPKJPENVSA-N 426.871 5.971 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2)c(Br)c1)c1ccc(F)cc1F 1874611180 AOCCOQHKQUJTHX-UXBLZVDNSA-N 429.260 6.202 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3cccc4ccccc34)cc2)cc1 1874623717 RGVWXAQIXXTGPI-XMHGGMMESA-N 435.523 6.316 30 10 IKEE CCCOc1c(Br)cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1OCC 1874629487 FSWBLABLWYMXBC-MDZDMXLPSA-N 445.397 6.766 30 10 IKEE CCCOc1c(Br)cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc1OCC 1874637690 NGQOWNROFWAZBD-CMDGGOBGSA-N 447.369 6.158 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc4cc(Cl)ccc4n3)c2)cc1 1874694720 QTCBDARPBCUXJR-OVCLIPMQSA-N 441.914 6.566 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(OC)c(OC)c3)c2)cc1C 1874696030 FMUOSXZIYQCCHS-DHZHZOJOSA-N 446.499 5.065 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OC(=O)Cc1ccc(Cl)cc1 1874710247 YFLQPLXYPRQKEB-ONNFQVAWSA-N 442.845 5.671 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)c2)cc1 1874710659 HADVUYSSLVKLDW-SDNWHVSQSA-N 428.528 5.973 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1ccc(F)c(F)c1 1875098790 KFCKSXJRNDCPKZ-WUXMJOGZSA-N 448.465 5.968 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)C3CCCC3)c(Br)c2)cc1 1875100405 DOTYPERSYIIGOC-UKTHLTGXSA-N 427.338 6.003 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)cc2Cl)cc1 1875146909 LOVGRPCKLMCSEB-RMKNXTFCSA-N 448.902 5.464 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)ccc1OC(=O)Cc1ccccc1 1875152093 MFJBVPYNZRHRAK-FMIVXFBMSA-N 434.463 5.277 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OC(=O)C(C)(C)C 1875160712 ZNKMCGVCOAHVDT-JLHYYAGUSA-N 438.564 6.239 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2cccc(F)c2)c([N+](=O)[O-])c1 1875170679 KPHSYEZIHZRGON-VQHVLOKHSA-N 449.434 5.475 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)ccc1OC(=O)c1cccs1 1875181777 XDKCBSVXPOUBGF-SOFGYWHQSA-N 442.920 5.842 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@@H]2CCCO2)c(Cl)c1)c1cc(Cl)ccc1Cl 1875189587 WZODPQNLYYZKRJ-CZXUKVBWSA-N 425.695 5.627 30 10 IKEE C=CCCC[C@H](NCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875645925 IQMPBAPNAJMYQI-LITSAYRRSA-N 445.603 6.212 30 10 IKEE CC1(NC(=O)OC(C)(C)C)CCC(C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)CC1 1912211596 YLEGGGGIEZDNIB-UHFFFAOYSA-N 436.557 5.044 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)C1CC(F)(F)C1 1922087561 ZKSRTCQMJKIRAB-RTWAWAEBSA-N 438.559 5.066 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@]1(C#N)Nc1ccccc1Br 1924920152 JPNRTPDNYWEKRG-YCRPNKLZSA-N 434.378 5.228 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2cc(C)cc(Br)c2F)cc1 1927537100 CFDZYDZFPKTYKL-GOSISDBHSA-N 433.321 6.211 30 10 IKEE CC(C)(C)OC(=O)NCC[C@H]1CC[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C1 1949122437 LGGLRIUYZKNRDK-HXOBKFHXSA-N 449.617 5.462 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@@H](C#N)c1nc(Br)cs1 1950105949 HRKNTBXMWLKKSB-LBPRGKRZSA-N 428.739 5.565 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@]1(C)CCN1C(=O)OC(C)(C)C 1999895950 FOBOHMVKVYEGOU-BJKOFHAPSA-N 429.561 5.418 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@@]2(C)CCN2C(=O)OC(C)(C)C)cc1 1999897062 LNEBCUCVOZIYFY-RPWUZVMVSA-N 429.561 5.418 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 2005382658 NPEHWMMPPRTMOA-QHCPKHFHSA-N 449.979 5.765 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1O[C@@H](C)C(=O)N(C)C 2040455115 OURSJKYHNHQVQD-AWEZNQCLSA-N 436.335 5.144 30 10 IKEE O=C1NC(=NC2CCCC2)SC1=Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 2041454891 JKWUFKZPDLVNTB-UHFFFAOYSA-N 425.941 5.095 30 10 IKEE O=C1C(=CN(C(=O)c2cccc(Cl)c2)c2ccc(Cl)cc2)Sc2ccccc21 2053511413 SCGKBQVRUNOTFJ-UHFFFAOYSA-N 426.324 6.470 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2)NCCC 2054642099 ZWJXPKMXDLBSAA-SGNDLWITSA-N 442.644 5.601 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)[C@@H]1C(C)(C)C 2067838527 NDJANCDKYAEDIX-DFBJGRDBSA-N 443.588 5.746 30 10 IKEE C=CCC[C@H](C)[C@H](N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071353149 GBVCTKXVOYJIAX-YNOBPPCASA-N 431.576 5.808 30 10 IKEE CCc1ccc([C@@H](n2nc(C3(C)CC3)c(C#N)c2I)C2(C)CC2)cc1 2079090530 NULVDLWSMYNCIG-GOSISDBHSA-N 445.348 5.363 30 10 IKEE CCc1ccc([C@H](n2nc(C3(C)CC3)c(C#N)c2I)C(C)(C)C)cc1 2079092506 FIFSWAZKKLUGDW-SFHVURJKSA-N 447.364 5.609 30 10 IKEE CCCc1ccc([C@H](C(C)C)n2nc(C3(C)CC3)c(C#N)c2I)cc1 2079881137 SESGQUPOHXGLFX-SFHVURJKSA-N 447.364 5.609 30 10 IKEE C=C(C)C[C@H](NCCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229126800 OMXAHLSKMWPXMQ-RBUKOAKNSA-N 425.411 5.219 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCC2)C[C@H]2CCCC[C@@H]21 2246643965 AZEWYXQBYRYFNE-VUMVONDWSA-N 433.593 5.238 30 10 IKEE CC(C)(C)OC(=O)NC[C@]1(C)CCC[C@@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 2249883079 RUIYQJMOZVSNBR-GOTSBHOMSA-N 449.617 5.462 30 10 IKEE C=CCCC1([C@H](N)c2ccc(Br)cc2Cl)CN(C(=O)OC(C)(C)C)C1 2255004984 YUMQQGJQIJATEE-MRXNPFEDSA-N 429.786 5.306 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)[C@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2258100338 HFVFBHZUPXQLOR-LNQXKSOZSA-N 447.620 5.532 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2258110696 XMKUDBJFNMXOES-PGCJZILSSA-N 441.572 5.404 30 10 IKEE CC1(C)OB(c2ccc3nccc(N(Cc4ccccc4)C4CCCC4)c3c2)OC1(C)C 2269889403 IWECFHFJYXMRMZ-UHFFFAOYSA-N 428.385 5.483 30 10 IKEE C=CCCCC[C@](C)(OCCCN)c1cc(Br)c(Br)s1 2293272278 QTXIBHYEHVSQCL-HNNXBMFYSA-N 425.230 5.600 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)C(C)(C)N(CC)C(=O)OC(C)(C)C 2296218755 HQAYVMYGPBOBKN-LJQANCHMSA-N 437.422 5.204 30 10 IKEE COC(=O)C[C@H]1c2cccnc2Oc2ccc3c(c21)OC(=Cc1ccc(C(C)C)cc1)C3=O 2297591886 OFKGYDCNJYZQLI-FQEVSTJZSA-N 441.483 5.622 30 10 IKEE COc1ccc(C=C2Oc3c(ccc4c3[C@H](c3ccc(F)c(F)c3)CC(=O)O4)C2=O)cc1 2297639758 CZGGGGKWSISETH-KRWDZBQOSA-N 434.394 5.031 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)cc1 2299174623 SLIVHNVJPJGZQL-RBUKOAKNSA-N 429.561 5.274 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCC3(CN(C(=O)OC(C)(C)C)C3)C2)c1 2317509972 OVCWVKSWSLULHH-RUZDIDTESA-N 441.572 5.420 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2321298724 VYKSGJVAPBDTGP-MOPGFXCFSA-N 445.535 5.249 30 10 IKEE COc1ccc(C=C2Oc3cc(OCc4cccc(Cl)c4)cc(C)c3C2=O)cc1OC 2321762467 UKBRGXOKZVYVKK-UHFFFAOYSA-N 436.891 5.861 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1cccc(Cl)c1)O3)CN(CCc1ccc(F)cc1)CO2 2321937020 HJHISNTYEBNFOY-UHFFFAOYSA-N 449.909 5.798 30 10 IKEE O=C1C(=Cc2ccccc2Br)Oc2c1ccc1c2CN(Cc2ccco2)CO1 2321962167 WKFLYFZTSZLQES-UHFFFAOYSA-N 438.277 5.010 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(S)n1N=Cc1cccc(OCc2ccc(F)cc2)c1 2321962175 XKYGUQNBMYLUSO-KRWDZBQOSA-N 432.524 5.319 30 10 IKEE CC[C@H](C)N1COc2c(cc3c(c2C)OC(=Cc2cn(C)c4ccc(OC)cc24)C3=O)C1 2322371062 MJYUZCFFUMOZLK-HNNXBMFYSA-N 432.520 5.062 30 10 IKEE Cc1cccc(NC(=O)COc2ccccc2C=CC(=O)c2ccc([N+](=O)[O-])cc2)c1C 2322467016 FGUUUVAFQAXHPC-UHFFFAOYSA-N 430.460 5.125 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCc2cccc(C)c2)cc1 2322552837 CQNFRRKMWDKAJH-UHFFFAOYSA-N 436.935 6.531 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2ccc(C)cc2)cc1 2322565377 MEIJNUNQZAHQID-UHFFFAOYSA-N 445.515 5.316 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OC(=O)c4ccccc4C)ccc3C2=O)cc1 2322684294 OAKNSXICYMZWED-UHFFFAOYSA-N 427.500 5.677 30 10 IKEE CCCOc1c(C=CC(=O)c2cc(Cl)ccc2OC)cc(Br)cc1OC 2323022711 AFCSENRDSWBDCE-UHFFFAOYSA-N 439.733 5.805 30 10 IKEE O=C(C=Cc1cccc(OCc2cccc3ccccc23)c1)c1ccc(Cl)cc1Cl 2323075898 LMTGTVOCWKDIMY-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE Cc1c(OC(=O)C=Cc2ccco2)ccc2c1OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2323168496 BIZYJOHISDKGRK-UHFFFAOYSA-N 441.266 6.130 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(F)cc1 2323791412 BKVCLKZLUZPOJZ-UHFFFAOYSA-N 445.317 7.006 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1 2323815981 JJQWTIZXKZNPFT-UHFFFAOYSA-N 434.875 5.964 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccccc4Cl)cc(C)c3C2=O)cc1 2324392487 JAHUIRFKGKHJSE-QGZVFWFLSA-N 447.918 5.979 30 10 IKEE Cc1cccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4cc(C)ccc4C)ccc3C2=O)c1 2324455691 HEZYLRCAZZCPEW-LJQANCHMSA-N 427.500 5.634 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3c(C)cc(C)cc3C)cc2Cl)cc1 2324545922 CGGBEQPAJDYLMO-UHFFFAOYSA-N 447.962 6.487 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)cc(Cl)c1OCCCO 2324662173 VMKZGPAZHLUGNB-UHFFFAOYSA-N 429.727 5.703 30 10 IKEE Cc1cc(C)c(-c2csc([C@@H](C#N)C(=O)C(=Cc3ccccc3)c3ccccc3)n2)c(C)c1 2324787808 CEWQUSOLROFOSV-VWLOTQADSA-N 448.591 7.152 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(c4ccccc4)c4ccccc4)cc(C)c3C2=O)cc1 2325216132 HVZZOHZORRLXHS-UHFFFAOYSA-N 432.519 7.088 30 10 IKEE CC(C)c1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2cccc(F)c2)cc1 2325471759 MICFWGOVQCYWIW-UHFFFAOYSA-N 444.579 6.306 30 10 IKEE COc1ccccc1C(=O)Oc1cccc(C=CC(=O)c2ccc(Cl)cc2Cl)c1 2325709549 AZCGYWQULOTSFX-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE C=CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccc(F)cc1F 2326136915 HRUBRISISNOHJM-UHFFFAOYSA-N 448.926 5.566 30 10 IKEE CCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1c(C)n(CC)c2ccccc12 2326412508 RVNULBJLVHTVNO-UHFFFAOYSA-N 431.609 5.915 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1cccc2ccccc12 2326540940 DSXZJMUJTXWNNI-UHFFFAOYSA-N 448.979 6.132 30 10 IKEE CCCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccccc1[N+](=O)[O-] 2326606550 SJALWVXHQPRQRM-UHFFFAOYSA-N 445.548 5.509 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1N=Cc1c(C)n(CC)c2ccccc12 2326736279 LHHACVBGVKAVGS-UHFFFAOYSA-N 449.599 6.217 30 10 IKEE CCCCCOc1ccc(C=Nn2c(COc3ccccc3Cl)nnc2SC)cc1 2327601336 KUTAKCOVBDSZSQ-UHFFFAOYSA-N 444.988 5.684 30 10 IKEE C=C(C)CSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(C(C)C)cc1 2327753993 JFZQXUAIOIQVOE-UHFFFAOYSA-N 440.616 6.696 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(F)cc2)n1N=Cc1ccc(N(CC)CC)cc1 2329837224 HJUIXXBWJYKBMR-UHFFFAOYSA-N 437.588 5.405 30 10 IKEE CCCSc1nnc(CCc2ccccc2)n1N=Cc1cccc(Br)c1 2330206327 KSQNJIGJRGQXRR-UHFFFAOYSA-N 429.387 5.210 30 10 IKEE Fc1cc(Br)ccc1C=NNC(=S)NC(c1ccccc1)c1ccccc1 2330472373 USAWZLDNBPHPIK-UHFFFAOYSA-N 442.357 5.176 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccccc2)n1N=Cc1ccc(N(C)C)cc1 2330636052 AJFVFCBVCIFMEF-UHFFFAOYSA-N 427.577 5.494 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)CCCC4)cc2)cc1[N+](=O)[O-] 2330679673 SCIIRSXBMYDBPB-UHFFFAOYSA-N 441.483 5.897 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1Cl 2330888675 HNQFSRDSOKVAQW-UHFFFAOYSA-N 449.772 6.874 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)cc([N+](=O)[O-])c1OC(=O)CC(C)C 2331097885 GXPSGAULUGDSCT-UHFFFAOYSA-N 433.407 5.119 30 10 IKEE Oc1cccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2-c2ccco2)c1 2331232510 SFQFGKUTBFZVJP-UHFFFAOYSA-N 428.876 5.211 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)CCc1ccc(Cl)cc1 2331282019 TXHHFGHGLBLUQI-UHFFFAOYSA-N 448.946 6.481 30 10 IKEE Cn1c(C(=O)Oc2ccc(C=CC(=O)c3cccc4ccccc34)cc2)cc2ccccc21 2331470664 BWFUYAFRJOPWJK-UHFFFAOYSA-N 431.491 6.447 30 10 IKEE COCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1c(F)cccc1Cl 2331595709 HETZVWAPWFUCTH-UHFFFAOYSA-N 425.316 5.045 30 10 IKEE Cc1cnc(C(=O)Oc2ccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)cc2[N+](=O)[O-])cn1 2331649053 TTWKSJVOTYAPLV-UHFFFAOYSA-N 445.475 5.042 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(Br)c1OC(C)=O 2331779908 ZSEQSHUKSCWUHL-UHFFFAOYSA-N 431.326 5.594 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccccc3C)c([N+](=O)[O-])c2)cc1C 2331851528 LRRIGYCHFRQYLM-UHFFFAOYSA-N 445.471 5.644 30 10 IKEE CCOc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)cn1 2363098788 ZKXIRIFMQJQAQN-KRWDZBQOSA-N 432.318 5.249 30 10 IKEE CC#CCN(C[C@H](NCCC)c1ccc(Br)cc1CC)C(=O)OC(C)(C)C 2363127858 CAHXCPWHOJJYRL-FQEVSTJZSA-N 437.422 5.313 30 10 IKEE COCc1ccc(CN(C(=O)OC(C)(C)C)[C@H](C#N)c2cc(C)c(Cl)s2)s1 2368020674 XEEFNBUPNIEEMV-OAHLLOKOSA-N 426.991 5.920 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(C)c(C)c(Br)c(C)c1C 2375339910 UMYZSTIUFZKDRK-FXAWDEMLSA-N 439.438 5.803 30 10 IKEE C#CCCN(Cc1ccc(I)c(Br)c1)C1CCCCC1 2377319150 ZOEHDDIFTZVYHA-UHFFFAOYSA-N 446.170 5.212 30 10 IKEE Cc1ccc(OCCCC(=O)Nc2sc3c(c2C#N)CCCC3)c(Br)c1 1984303 DHRGKUAESQAKFW-UHFFFAOYSA-N 433.371 5.367 30 10 IKEE C=CCc1ccccc1OCC(=O)Nc1sc(C)c(-c2ccc(F)cc2)c1C(=O)OC 2610047 TVAJQPGVZZQZOM-UHFFFAOYSA-N 439.508 5.395 30 10 IKEE C/C(=N\Nc1nnc(SCCC(=O)Nc2c(Cl)cccc2Cl)[nH]1)c1ccccc1 9695147 ONXCWNDVLMEGPY-WYMPLXKRSA-N 449.367 5.069 30 10 IKEE COc1ccc(/N=C2\S/C(=C\c3ccc(Cl)cc3)C(=O)N2[C@H](C)c2ccccc2)cc1 15979936 BTNUFIUQQYFFJK-PXZCUNJGSA-N 448.975 6.714 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(C(C)(C)C)cc2)C3)cc1 20881582 VRVFVDFZLXUVLB-OFNKIYASSA-N 431.576 5.777 30 10 IKEE CCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2OC)C3)cc1 20881638 RVNZMNOPBOUCFD-HMILPKGGSA-N 440.543 6.073 30 10 IKEE COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C)cc2)c1 21218643 HYHJIBPKZSDJOQ-WHLCRQNOSA-N 440.543 5.992 30 10 IKEE Cc1sc(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c(C#N)c1C 32522981 KGHWUMJYYRRSPP-UHFFFAOYSA-N 444.585 6.025 30 10 IKEE CCc1cccc(N/C(=N\C(=O)c2ccccc2F)NCCc2c[nH]c3ccccc23)c1 32943087 SYQXRYBJZCPHNR-UHFFFAOYSA-N 428.511 5.310 30 10 IKEE Cc1ccc(Cl)cc1N/C(=N\C(=O)c1cccc(Cl)c1)NCc1c(C)nn(C)c1C 32972339 BZHSENCLCRDZLL-UHFFFAOYSA-N 444.366 5.050 30 10 IKEE O=C(Oc1ccc(Br)cc1C(=O)/C=C\c1ccc(F)cc1)c1cccs1 33442355 VIBOKXOLACOGOL-UITAMQMPSA-N 431.282 5.765 30 10 IKEE O=C(Oc1ccc(F)cc1C(=O)/C=C\c1cccs1)c1ccccc1Br 33442374 NUZCXSNXWIIMJK-HJWRWDBZSA-N 431.282 5.765 30 10 IKEE O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)Oc2ccc(Cl)cc21 39842458 KRVFSMWUURVAMN-UUYOSTAYSA-N 443.846 5.717 30 10 IKEE Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1sc(=S)c2c(c1C#N)CC[C@@H](C)C2 41011202 NFNCKNFFGCQVRB-DGCLKSJQSA-N 432.998 5.842 30 10 IKEE CCCCCCCOc1ccc(C(=O)Oc2cccc(C(=O)OC[C@H]3CCCO3)c2)cc1 100282477 YGIYKSKQIQXSCJ-XMMPIXPASA-N 440.536 5.591 30 10 IKEE CCN1C(=O)/C(=C(\C)c2ccc(Cl)cc2)S/C1=N/c1nc(-c2ccccc2)cs1 101130408 HVKIFOBCFKNBCR-ORONYANGSA-N 439.993 6.478 30 10 IKEE O=C(O)c1cccc(/N=C2/S/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccccc2)c1 101133232 MWOYWWDUQBMZJD-RLYGRLLTSA-N 445.456 5.102 30 10 IKEE CN1/C(=C/C(=O)COC(=O)C(c2ccccc2)c2ccccc2)C(C)(C)c2ccccc21 102355339 JSPOUWGZMBBAOW-XIEYBQDHSA-N 425.528 5.242 30 10 IKEE CC(C)(C)c1ccc([C@H]2/C(=C(/O)c3ccc(Cl)cc3)C(=O)C(=O)N2Cc2ccco2)cc1 102586963 QCSDCGJXIZDHRH-VFJWVMJUSA-N 449.934 5.852 30 10 IKEE CCOc1cc(/C=N/Nc2ccc(OC)c(Cl)c2)ccc1OCc1cccc(Cl)c1 169877131 TYINGZNCGBJGON-VULFUBBASA-N 445.346 6.426 30 10 IKEE CCOc1cc(/C=N\n2c(S)nnc2C2CCCCC2)cc(Cl)c1OCC(C)C 169910066 YEPIJANGWMRAJA-FMCGGJTJSA-N 437.009 5.584 30 10 IKEE CCCN1C(=S)N[C@@H](c2ccc(OCC)c(Cl)c2)C(C(=O)c2ccccc2)=C1C 169928606 NKJDANDZYWIQTB-NRFANRHFSA-N 428.985 5.537 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3ccc(OC)cc3OC)cs2)ccc1OC(C)C 169941110 ZEKHXBBCSOUWKT-CFRMEGHHSA-N 441.553 5.459 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccccc2OC)cc1 169942426 TXBLBQNAQYBSFQ-AREMUKBSSA-N 441.527 5.360 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(OC(C)C)cc1 169978891 ONEQGRWVXXBIKF-QFIPXVFZSA-N 425.500 5.381 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2ccccc2)c1 170051849 JFCMFKIFOUKDDQ-HSZRJFAPSA-N 447.918 5.830 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(F)cc2)c1 170065273 ILKHBJYXIRVNGU-QHCPKHFHSA-N 433.454 5.360 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2c[nH]c3ccccc23)cc1 170078360 JSRRLKJWNOWMFK-XMMPIXPASA-N 444.531 5.478 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@@H]1c1ccccc1OC 170125587 ZZBFSDNGPHRCFI-QFIPXVFZSA-N 437.536 5.089 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(O)cc2)cc1C 170133198 JLKNGKHNBMKXPL-DEOSSOPVSA-N 443.499 5.191 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccc(C)c2)c1 170142139 PCSSPRWGVCEERZ-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccs1 170159989 KLFRZPIFXACCLP-HSZRJFAPSA-N 441.508 5.693 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(OCC(C)C)cc1 170167276 JPRZYPDNNYKMGU-VWLOTQADSA-N 447.575 5.589 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccccn1 170179178 RODBILBLDYQCIB-QHCPKHFHSA-N 448.563 5.299 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccncc2)cc1C 170202401 PCFHOPOCDVSDKW-XMMPIXPASA-N 442.515 5.188 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccncc2)cc1 170203424 JRTVDXNIOVEGQD-XMMPIXPASA-N 442.515 5.434 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccncc2)cc1 170208110 UHTAAEFLQHIJQD-HSZRJFAPSA-N 446.503 5.022 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@H]1c1ccccc1 170225236 CCNHQNMAHKXOKJ-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccccc2)c(C)c1 170228216 NVUKAVITCCEMCF-SANMLTNESA-N 433.507 6.240 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccccc2)c(C)c1 170228257 VIWFHRRPKOKUHI-AVRWGWEMSA-N 439.511 5.410 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@H]1c1ccccc1 170233209 PFCGWQPEMBCHTE-HXUWFJFHSA-N 427.928 5.426 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(F)cc2)c1 170239462 RHEXSFQMEKJKIS-DEOSSOPVSA-N 445.490 5.643 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCOC(C)C)cc1 170265144 TVVBUZCXZQFKRK-VWLOTQADSA-N 443.543 5.406 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccco2)cc1C 170284886 NYNPMHWJDWGCQX-HSZRJFAPSA-N 431.488 5.467 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@@H]1c1ccco1 170285887 NOKUVZHDBCMKDB-JOCHJYFZSA-N 431.488 5.305 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(Cl)c3)[C@H]2c2ccc(C)o2)c1 170300399 LXTVTZDXQGXCLL-HXUWFJFHSA-N 442.298 5.986 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc(OCC(C)C)c3)=C(O)C(=O)N2c2ccccc2C)o1 170305417 RSUKYEDCYYTHIE-DEOSSOPVSA-N 445.515 5.714 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2sccc2C)cc1 170319664 CUXLSMRBHNCUMX-HXUWFJFHSA-N 425.550 5.366 30 10 IKEE C=CCOc1cccc([C@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2CCC)c1 170324283 TWGOHBHNNOBWBB-QHCPKHFHSA-N 435.520 5.027 30 10 IKEE C[C@H](/N=C(O)/C=C\c1ccc(NS(C)(=O)=O)cc1)C(c1ccccc1)c1ccccc1 206694577 CLVHEZDWHGBZPG-VZWFDDOASA-N 434.561 5.248 30 10 IKEE CCCCCCCCCc1ccc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)cc1 206807386 YUYUOKZMUHUKRI-UHFFFAOYSA-N 441.571 7.204 30 10 IKEE N#Cc1cc(Br)cc(Nc2c(Br)cccc2Br)c1 232130130 UXSKRAJCSORHOB-UHFFFAOYSA-N 430.925 5.589 30 10 IKEE Clc1ccccc1-c1nc2cc(N=C/C=C\c3ccc(Br)cc3)ccc2o1 252623004 OHPYJYQMIULWFR-HRPWZSTBSA-N 437.724 7.326 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2)SC(=Nc2ccccc2)N1[C@@H]1CCCc2ccccc21 254739095 TWKSTXVZGLYRBY-YMKPOUOZSA-N 444.987 7.022 30 10 IKEE COc1ccc(C=NNc2nc(C(F)(F)F)c(-c3ccc(F)cc3)s2)cc1OC 254817560 YTYRJYOMLKEXSL-UHFFFAOYSA-N 425.407 5.431 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1c(F)ccc(Br)c1F)NCCC 407403312 JTLRVISHGCSUSL-IAGOWNOFSA-N 447.364 5.107 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(Nc3ccccc3C#N)=C(Sc3ccccc3)C2=O)c1 526657056 GXKWBOIRSHVLFI-UHFFFAOYSA-N 425.513 5.164 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1ccccc1C(F)(F)F 526809508 MTLHJWGIEUZUNH-VYYCAZPPSA-N 446.542 6.431 30 10 IKEE CN(C)c1cccc(C=NNc2nc(-c3ccccc3)c3cc(Br)ccc3n2)c1 606445802 WAUFSABQADPQGA-UHFFFAOYSA-N 446.352 5.571 30 10 IKEE CC(C)N(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(Br)cc(Br)c1 698378357 JRKPSMAMAMTAAF-AWEZNQCLSA-N 432.156 5.422 30 10 IKEE Cc1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)cc(C)c1O 698481209 DQATYRNBUWBBDS-GOSISDBHSA-N 431.330 5.778 30 10 IKEE CC1(C)CSC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)C1 710799060 FWHDFUKVJYVLGL-IBGZPJMESA-N 425.392 5.616 30 10 IKEE C=CCC1([C@@H](NCCC)c2cscc2Br)CN(C(=O)OC(C)(C)C)C1 722912560 DZBTXVNCLRMHCK-INIZCTEOSA-N 429.424 5.365 30 10 IKEE Cc1cccc(Cl)c1COc1ccc(C=NNc2nc(SC3CCCCC3)n[nH]2)o1 1084320245 AVJOXGWQNAKJRE-UHFFFAOYSA-N 445.976 5.809 30 10 IKEE C=CCc1cc(/C=C2/S/C(=N/C)N(C)C2=O)cc(OCC)c1OCc1cccc(F)c1 1084422480 CHHWCTWLCTWFBB-DRMKFXMXSA-N 440.540 5.064 30 10 IKEE Cc1ccc(C(CSc2nc3ccccc3[nH]2)=NNc2ccc([N+](=O)[O-])cc2)c(C)c1 1084433699 SHDDFHAHIITGEX-UHFFFAOYSA-N 431.521 5.696 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)CSc2n[nH]c(NN=C/C=C\c3ccccc3)n2)cc1 1084434781 OFVPVLZWFHBXQU-CBJMJPHUSA-N 434.569 5.160 30 10 IKEE Cc1cc(C)cc(-n2c(C)cc(C=Nc3ccc(I)c(C)c3)c2C)c1 1084571635 WOKZNWBEWUIFCA-UHFFFAOYSA-N 442.344 6.375 30 10 IKEE O=C1C=C(NCCCCNC2=CC(=O)C[C@H](c3ccccc3)C2)C[C@@H](c2ccccc2)C1 1088709288 JPPDHEABUZZDRS-DNQXCXABSA-N 428.576 5.007 30 10 IKEE N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)NCc2ccc3nc(O)[nH]c3c2)cc1 1219156604 AZQXECXOGTXPRL-UHFFFAOYSA-N 449.923 5.266 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=Nc1ccncc1Cl 1772735964 WGKVWCKTLAJBCE-YENWFTGLSA-N 430.316 5.882 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])SC1=Nc1nc(-c2ccccc2)cs1 1772739940 WTZQFGRASFRDMO-GIFQUSADSA-N 448.529 5.508 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccc2OCc2cc(C)ccc2C)c1 1858758350 ZDXJRECKVGIVJW-UHFFFAOYSA-N 429.564 6.367 30 10 IKEE CCOC(=O)c1sc(NC(=O)c2ccc(-c3ccc(CC)cc3)nc2C)c(C#N)c1C 1859758065 USIQIHSJECPBHR-UHFFFAOYSA-N 433.533 5.290 30 10 IKEE CC(C)N(C(=O)c1cccc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1859876413 VAJVVGLVRWMTLK-UHFFFAOYSA-N 443.309 6.798 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)Cc1cc(Cl)ccc1SC 1860974679 YWPHYLKYFHMZHN-HXUWFJFHSA-N 441.081 5.756 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)COc1ccccc1OCC 1861636934 SUGCXAIXYZAQDW-VWLOTQADSA-N 434.621 5.006 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CCC)cc1 1862385938 BOPUUBVYLLLVFL-FQEVSTJZSA-N 448.346 5.771 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2cccs2)c1 1862412904 PYPSFSBCYRPNKO-FQEVSTJZSA-N 425.456 5.113 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1ccccc1)c1ccccc1Cl 1862429422 MOPKGZXFVPZQDF-JOCHJYFZSA-N 435.882 5.300 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1cccc(F)c1)c1cccc(Cl)c1 1862445419 VRVSGBZDPFHIIS-OAQYLSRUSA-N 439.845 5.397 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc(F)cc2F)c1 1862491367 RBXXKUCCTOAMFS-YTJPUZGESA-N 439.502 5.739 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(F)cc1F 1862617266 WMISYQRJQZUITG-JOCHJYFZSA-N 441.518 6.031 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccc(C)cc2)cc1F 1862636218 BJSQRPYPBLVZER-BXKMTCNYSA-N 445.490 5.482 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2Cc2ccccn2)cc1 1862650221 QGYXXAWOYIMCBB-SANMLTNESA-N 448.522 5.576 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccccc1Cl)c1ccc(F)cc1 1862675995 YBHCMCBXSWAKNQ-LJQANCHMSA-N 427.884 5.319 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(F)cc1 1862702898 ONEAUINHYLTXRA-HSZRJFAPSA-N 439.527 5.773 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(OC)cc1 1862725618 NLXVUGJRYWWFTC-CJAUYULYSA-N 441.527 5.739 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 1862889881 BEAOWUWLCVPJNM-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE Cc1cccc(NC2=C(c3ccccc3Cl)C(=O)N(c3ccccc3C#N)C2=O)c1C 1863082871 DHIAQPIWNSPZNL-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE N#Cc1ccccc1NC1=C(c2cccs2)C(=O)N(c2ccccc2C(F)(F)F)C1=O 1863115119 WQJBZKYUMMACLC-UHFFFAOYSA-N 439.418 5.035 30 10 IKEE CC(C)c1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3c[nH]c4ccccc34)C2=O)cc1 1863129344 JBBVDMDTCLOONN-UHFFFAOYSA-N 446.510 5.560 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(F)c2)=C(c2cccc3ccccc23)C1=O 1863217590 MZGSPBPHXLAQPF-UHFFFAOYSA-N 444.550 6.531 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(C)c(C)c2)C(=O)N(CCCCCO)C1=O 1863608354 KLAGLMJJMYUBHS-UHFFFAOYSA-N 442.644 5.276 30 10 IKEE CCCCCCCCNC1=C(c2c[nH]c3ccccc23)C(=O)N(Cc2ccccc2F)C1=O 1863815632 SYEZXFGZMRWBRO-UHFFFAOYSA-N 447.554 5.537 30 10 IKEE Cn1nc(-c2ccccc2F)c(C#N)c1NC(=O)CCCOc1ccc2ccccc2c1 1865935803 ODDIASCGIMRKAK-UHFFFAOYSA-N 428.467 5.049 30 10 IKEE CCCc1nc(Nc2ccccc2C#N)cc(N2CCc3cc(C)ccc3[C@@H]2CC(C)C)n1 1868397832 GTEBWOFNPMBYCZ-VWLOTQADSA-N 439.607 6.503 30 10 IKEE C=CCN(CC=C)c1cc(N2C[C@@H](C)Cc3c(C)ccc(C)c32)nc(-c2ccc(C)cc2)n1 1869167589 XQMXSRDMZGGTGR-NRFANRHFSA-N 438.619 6.578 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)N[C@@H](C)c2ccccc2)c(=O)cc1C 1870093543 MZRDELCATDFNLR-QFIPXVFZSA-N 426.601 5.554 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2)c(=O)cc1CSc1ccc(C)cc1 1870271433 KAGHTKUYGVCISR-UHFFFAOYSA-N 449.660 7.389 30 10 IKEE C=CCn1cc(OCc2cccc3ccccc23)c(=O)cc1CSc1ccc(Cl)cc1 1870277912 MYSZKPUZCOJMRN-UHFFFAOYSA-N 447.987 6.712 30 10 IKEE CCCCCCCCn1cc(OC)c(=O)cc1CSCCc1nc2ccccc2[nH]1 1870297657 RZLUBWMQVWXQND-UHFFFAOYSA-N 427.614 5.570 30 10 IKEE CCCCCCCCCCn1cc(OCC)c(=O)cc1CNc1ccc(N(C)C)cc1 1870785857 XJSOSWWCVVFJPH-UHFFFAOYSA-N 427.633 6.066 30 10 IKEE C=CCn1cc(OCCCCCCC)c(=O)cc1CNc1ccc(Br)cc1 1870833563 OEFPMTZRDKDJLF-UHFFFAOYSA-N 433.390 5.758 30 10 IKEE CCCCCCCCN=c1[nH]c(Nc2ccc(OCCCCCC)cc2)ncc1[N+](=O)[O-] 1871308742 VQLURVPHAPVWRR-UHFFFAOYSA-N 443.592 6.282 30 10 IKEE CC(C)OCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(Cl)c(Cl)c1)C3=O 1871345435 VESMEFCEIVNWOL-JMIUGGIZSA-N 434.319 5.187 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O3)CN([C@@H]1CCCC[C@H]1C)CO2 1871351380 XNGDXWUEBJXMMV-WUGZYQEVSA-N 431.576 6.465 30 10 IKEE C=CCOc1ccc(C(=O)Nc2ccc3c(=O)cc(-c4ccc(OC)cc4)oc3c2)cc1 1871358286 KENWRNJDTFPCJT-UHFFFAOYSA-N 427.456 5.286 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871366884 RFDARGAYXPGILP-UCQKPKSFSA-N 448.446 5.133 30 10 IKEE Cc1c(OCCCOc2ccccc2)ccc2c1O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 1871398009 DIUGEDZTPZNJDL-KQWNVCNZSA-N 431.444 5.367 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCCCCOc4ccccc4C)ccc3C2=O)cc1 1871404357 JUSMAYVTSDUCJR-IMRQLAEWSA-N 428.528 6.412 30 10 IKEE COc1ccc(Br)cc1/C=C1\Oc2c(ccc(OCCC(C)C)c2C)C1=O 1871410991 AKAKIYOFLSZSSF-NDENLUEZSA-N 431.326 5.807 30 10 IKEE Cc1c(OCCOc2ccccc2F)ccc2c1O/C(=C\c1c(F)cccc1Cl)C2=O 1871416885 AKBPBHXZNZOTDZ-XKZIYDEJSA-N 442.845 6.001 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(CCCC)cc2)[nH]c(N(C)CCCC)n1 1871502737 VQMOQPZHVXJYOB-UHFFFAOYSA-N 440.680 6.388 30 10 IKEE C=CCN=c1nc(Nc2ccc(-c3ccccc3C)cc2)[nH]c(N2C[C@H](C)C[C@@H](C)C2)n1 1871639412 HGCWBIPVEUVOEW-RTBURBONSA-N 428.584 5.093 30 10 IKEE C=CCN([C@H](C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)[C@H](C)CC)S(=O)(=O)C1CC1 1872339503 RRWAFZRGKROXIT-JPYJTQIMSA-N 434.646 5.267 30 10 IKEE CCOc1ccc(-c2nc(C3=C(N)N(c4cccc5ccccc45)CC3=O)sc2C)cc1 1872726106 KIGBCLBZFWTUCL-UHFFFAOYSA-N 441.556 5.387 30 10 IKEE CC(C)(C)c1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 1872759150 FYYDDYCKNSPESP-JTPHSUOKSA-N 431.517 5.905 30 10 IKEE Cc1ccccc1OCCCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872762701 URFMNLIXOGTONE-QGZVFWFLSA-N 445.371 6.461 30 10 IKEE N#C[C@H](C(=O)Cc1ccc(Cl)cc1)c1nc(-c2cccc(Br)c2)cs1 1872764183 GCTAUCGXSDTXKZ-MRXNPFEDSA-N 431.742 5.645 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)Cc2ccccc2[N+](=O)[O-])n1 1872777557 QLDBVBKBGBVDSE-GOSISDBHSA-N 449.532 5.443 30 10 IKEE Cc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)c(C)c1 1872788221 XHUIBSLMGZHZOL-MRXNPFEDSA-N 431.344 5.989 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2C)C(=O)N(CCCOCC)C1=O 1873102144 GGVLGHSNTYPKFL-UHFFFAOYSA-N 428.617 5.232 30 10 IKEE CCCCCCCCNC1=C(c2cc(OC)ccc2OC)C(=O)N(C2CCCCC2)C1=O 1873148871 ZOLMKYXMGMMZFU-UHFFFAOYSA-N 442.600 5.067 30 10 IKEE O=C(Nc1nnc(-c2ccc(F)cc2)s1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1873449403 BLVSCZVQNMNWQV-UHFFFAOYSA-N 435.324 5.634 30 10 IKEE NC1=C(c2nc(-c3ccccc3)c(-c3ccccc3)s2)C(=O)CN1c1ccc(Cl)cc1 1873527955 ZUJDNAMMGRVUIN-UHFFFAOYSA-N 443.959 5.847 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(C(C)(C)C)cc1)n2Cc1ccccc1 1873613111 XUBBHXPRXFWCON-UHFFFAOYSA-N 439.563 5.627 30 10 IKEE C=CCn1c(C(=O)Nc2cc(NC(C)=O)ccc2C)cc2c(NCCCCCC)ncnc21 1873638713 HGXIUFKZMZIUDB-UHFFFAOYSA-N 448.571 5.129 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(F)c(F)c2)cc2c(N(CCCC)CCCC)ncnc21 1873662014 APAGTPFYGAEQHL-UHFFFAOYSA-N 441.526 5.554 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccc(OCC)cc1 1874230951 LBNARKRBORDYNA-ZVHZXABRSA-N 442.972 5.378 30 10 IKEE CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1cccc(OC)c1OC 1874243775 ANKRWAXCCBNGNF-MFKUBSTISA-N 440.613 5.048 30 10 IKEE CCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1ccc(C(F)(F)F)cc1 1874248956 ZVKVSMCMCGSBGD-CVKSISIWSA-N 448.514 5.611 30 10 IKEE CCSc1nnc(COc2ccccc2Cl)n1/N=C/c1c(F)cccc1Cl 1874267311 RABAHUAXKVIYOG-LSHDLFTRSA-N 425.316 5.297 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2Cl)cc1 1874367268 UNGDBYJQVJZIRZ-JVWAILMASA-N 447.007 6.896 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccccc3)nnc2[C@@H](C)c2ccccc2)c1O 1874395115 DOASUXFQEZHOFG-PMFZIYJTSA-N 444.560 5.319 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(Cc2ccccc2)n1/N=C/c1ccc[nH]1 1874419863 ILKCWPYIPUPASX-DHRITJCHSA-N 425.920 5.164 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2ccccc2C)nnc1-c1cccs1 1874421081 UCIGOCMBOFVZIF-PCLIKHOPSA-N 448.617 6.278 30 10 IKEE C=C(C)CSc1nnc(-c2cccs2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874422587 UMZJZNOXWWAOJR-MFKUBSTISA-N 446.601 6.136 30 10 IKEE COc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccc(F)cc2)cc1OC 1874437129 LTIZLCNFLRRZAX-AFUMVMLFSA-N 442.560 5.198 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CCCC2)cc1 1874456389 PDEHVUJDDCDLLI-MFKUBSTISA-N 441.000 6.162 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCCc3ccccc3)nnc2C(F)(F)F)cc1 1874462513 XJZDDDPODRNSCP-WGOQTCKBSA-N 447.530 5.360 30 10 IKEE CCCCc1nnc(SCC)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874476998 DGELFVXPOBLPBO-BUVRLJJBSA-N 428.989 5.847 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccccc1C(=O)O 1874486000 WOTSARMAAMVUKM-FSJBWODESA-N 428.945 5.102 30 10 IKEE Sc1nnc(CCCOc2ccccc2)n1/N=C/c1ccccc1OCc1ccccc1 1874563862 BFLGZZMOODQERR-NLRVBDNBSA-N 444.560 5.040 30 10 IKEE Cc1cccc(COc2ccc3ccccc3c2/C=C/C(=O)c2ccc3ccccc3c2)c1 1874571287 FUXOWKFEVSVNET-WUKNDPDISA-N 428.531 7.777 30 10 IKEE Cc1ccccc1COc1ccc2ccccc2c1/C=C/C(=O)c1cccc2ccccc12 1874583591 VWQRPWCINSZQKT-VHEBQXMUSA-N 428.531 7.777 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccccc2OCc2cc(C)ccc2C)c1 1874585694 AOQNEAKOMLJYOE-FYWRMAATSA-N 430.544 6.576 30 10 IKEE COC(=O)c1ccc(COc2cc(/C=C/C(=O)c3ccc4c(c3)CCCC4)ccc2OC)o1 1874593002 MXYLFGWTWDWRPI-KPKJPENVSA-N 446.499 5.429 30 10 IKEE C=CCOc1c(Br)cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc1OCC 1874606687 AWQPDHTWNHKZDJ-VQHVLOKHSA-N 431.326 5.626 30 10 IKEE Cc1ccc(COc2ccc(/C=C/C(=O)c3ccccc3Cl)cc2Br)cc1 1874608985 RFKNLFCQENYVLN-ZRDIBKRKSA-N 441.752 6.886 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 1874615719 NFGGDLPMTIARBF-UXBLZVDNSA-N 428.271 6.377 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc([N+](=O)[O-])c1OCC 1874626982 GSTFQKCQDUMRNR-MDZDMXLPSA-N 427.497 5.729 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OCC(=O)NCc2ccccc2)cc1 1874633524 HEEISYCNINVXOF-JLHYYAGUSA-N 449.934 5.248 30 10 IKEE C[C@@H](C(=O)Oc1cccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c1)c1ccccc1 1874692984 HRXJLSUYGORADY-GFCAVMEOSA-N 432.519 6.959 30 10 IKEE CCCc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)OCO4)c2)cc1 1874707789 XAGBGVSZGHVHHF-UKTHLTGXSA-N 444.483 5.248 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2cc(Br)c(O)c(Br)c2)cc1 1874719183 MAWMXGKLIGGZRT-RUDMXATFSA-N 438.159 6.111 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(OCCC)cc2)CSc2nnc(CC)n21 1874838289 MHTOJAWPBCBQIF-NRFANRHFSA-N 444.645 5.692 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(-c4ccccc4)cc3)cc2)c1 1875080850 VMFVLVOTYFWKOW-LICLKQGHSA-N 432.519 7.086 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)Cc1cccs1 1875097966 MNNOBAUXGANQPO-UKTHLTGXSA-N 446.568 6.070 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(Cl)c1OC(=O)c1ccco1 1875112821 KOKLWAPXEPWEPP-IZZDOVSWSA-N 426.852 5.456 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC(=O)COCc1ccccc1 1875123226 XVGXLCTUJMJASN-ZRDIBKRKSA-N 436.891 5.367 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)C1CCCC1 1875140435 GMLULPOWCHVNRE-VAWYXSNFSA-N 426.940 6.347 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3F)c(Cl)c2)ccc1F 1875141478 GRKMNVRWNSXGPK-KRXBUXKQSA-N 430.809 6.181 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc(OC)c1OC(=O)C1CC1 1875164882 FRFHAAFERRTKDY-FMIVXFBMSA-N 448.559 6.076 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H]3CCCO3)c(Cl)c2)c(OCC)c1 1875177354 HNBFXACMGANMFE-ICKBMGCOSA-N 444.911 5.118 30 10 IKEE CC(C)(C)C#CCC(=O)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1886684001 HEPXDXCPVQYJDN-MUUNZHRXSA-N 442.555 5.887 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Cl)cc1Br 1898036185 RAZJAQUNLXPCDU-QZTJIDSGSA-N 443.813 5.450 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)C1(CC)CCN(C(=O)OC(C)(C)C)CC1 1922070469 ZHGXLGVHHFHLGI-HSZRJFAPSA-N 430.633 5.555 30 10 IKEE C=C(COCc1ccccc1)[C@H](NC)c1cccc(Br)c1Br 1922092506 SUFYOPGWQJRBEZ-SFHVURJKSA-N 425.164 5.245 30 10 IKEE CC(C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)[C@@H](CNC(=O)OC(C)(C)C)CCCC12CCC2 1924819346 VCRGTWGTDCHLCR-KOSHJBKYSA-N 435.609 5.389 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCC[C@H]1NC(=O)OC(C)(C)C 1943896947 WICMMQWFNBCEAG-NTKDMRAZSA-N 429.561 5.466 30 10 IKEE CC1(C)OB(c2cnc(N(Cc3ccccc3)CC3CCCC3)c(Cl)c2)OC1(C)C 2004971707 VAIFSKDKBPHFAH-UHFFFAOYSA-N 426.797 5.231 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@](C)(NC(=O)OC(C)(C)C)C1CCCCC1 2024527819 LFCDXIXVSCWLKC-OZXSUGGESA-N 430.633 5.601 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)cc1Br)NC 2028172234 OKDBTXFUTKZXCY-SJORKVTESA-N 431.802 5.093 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCCC[C@H]2NC(=O)OC(C)(C)C)cc1 2031500745 YIDWBUQJGCBMEK-CJFMBICVSA-N 443.588 5.856 30 10 IKEE CC1(C)C[C@H]([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)N(C(=O)OC(C)(C)C)C1 2033723842 RLCMWLDZHHIBPQ-MOPGFXCFSA-N 447.551 5.495 30 10 IKEE C=CCN(C[C@@H](Cc1cccc(Br)c1Cl)NCC)C(=O)OC(C)(C)C 2047974976 AEIJEQFVJQFMTM-OAHLLOKOSA-N 431.802 5.046 30 10 IKEE C=CCC1(Oc2ncc(Br)cc2Cl)CCN(C(=O)OC(C)(C)C)CC1 2078100069 VFYTXVHSZQXULP-UHFFFAOYSA-N 431.758 5.222 30 10 IKEE CC(C)c1ccc([C@H](C(C)C)n2nc(C3CCC3)c(C#N)c2I)cc1 2079945755 LMUPJZVHBWEGKW-FQEVSTJZSA-N 447.364 5.996 30 10 IKEE COc1ccc([C@@H](n2nc(C3CCC3)c(C#N)c2I)C(C)(C)C)cc1 2080052919 FCJWRYCVQQVCFO-GOSISDBHSA-N 449.336 5.271 30 10 IKEE N#Cc1c(C2CCCC2)nn2c(Cl)cc(-c3cc(C(F)(F)F)cc(Cl)n3)nc12 2081196701 KVZAQZQXGICUOC-UHFFFAOYSA-N 426.229 5.646 30 10 IKEE N#Cc1c(C2CCCC2)nn2c(Cl)cc(-c3ccc(C(F)(F)F)c(Cl)c3)nc12 2081397184 FEVOVFWLQNAJOD-UHFFFAOYSA-N 425.241 6.251 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@@H](C#N)c1c(Cl)cccc1Br 2094994765 LLDCWGWBONXWOO-INIZCTEOSA-N 439.712 6.248 30 10 IKEE CC[C@]1(CNc2ccc(C#N)c(Br)c2F)CCCN1C(=O)OC(C)(C)C 2106046191 VJSFMBQPJDVURQ-LJQANCHMSA-N 426.330 5.051 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)ccc1C 2137760680 HYPBPBWJRXYCRY-RTBURBONSA-N 425.411 5.658 30 10 IKEE CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1Nc1ccc(Br)c(C#N)c1 2149847010 RXZZBGPONAELKZ-APWZRJJASA-N 436.394 5.404 30 10 IKEE CN(Cc1ccccc1)C1(CNc2cc(Br)cc(F)c2C#N)CCCCC1 2163689648 IRQXNWCIUSNEGO-UHFFFAOYSA-N 430.365 5.707 30 10 IKEE CCN(c1ccc(Br)cc1C#N)[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 2174808245 LREPDIPBQWFTOM-MAUKXSAKSA-N 436.394 5.231 30 10 IKEE CCCN(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1ccc(C#N)c(Br)c1 2174812848 PNQLREXNJKZLFI-SFHVURJKSA-N 436.394 5.327 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)cc1CC 2237537266 MYSORMULMWVPEO-UXHICEINSA-N 437.422 5.359 30 10 IKEE C=C(Cl)C[C@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2252198387 SSRLOWVDLPGKGR-VWLOTQADSA-N 437.967 6.004 30 10 IKEE Cc1sc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)c1C 2255636782 ZGKSPVNUVAMTDB-KRWDZBQOSA-N 439.430 5.105 30 10 IKEE Cc1cccc(NC(=O)OC(C)(C)C)c1C(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 2268195252 VTPGZFPYWVBERH-UHFFFAOYSA-N 444.381 5.040 30 10 IKEE COc1cc(C=C2C(=O)ON=C2c2ccccc2)ccc1OCc1c(F)cccc1Cl 2293944578 KBOOIAOTRZIBMM-UHFFFAOYSA-N 437.854 5.411 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@H](NC(=O)OC(C)(C)C)c1cccs1 2296294146 QOLGBRZTBRRZSO-HKUYNNGSSA-N 449.414 5.106 30 10 IKEE CCCCOc1ccc(C(=O)C(=Cc2ccc(Cl)cc2)c2nc3ccccc3o2)cc1 2296696678 LBYMAGCKHUAGHX-UHFFFAOYSA-N 431.919 7.084 30 10 IKEE C=CCN1C(=O)C(=Cc2cn(Cc3cccc4ccccc34)c3ccccc23)SC1=S 2297335468 CYBJUOYFIFZCOW-UHFFFAOYSA-N 440.593 6.230 30 10 IKEE COc1cccc(C=CC(=O)c2c(-c3ccccc3)nc3n(C)c4ccccc4n23)c1OC 2297449435 BXESZVNFNSBGGR-UHFFFAOYSA-N 437.499 5.406 30 10 IKEE COc1cc(C=C2CCC(=Cc3cc(Cl)c(OC)c(OC)c3)C2=O)cc(Cl)c1OC 2297456254 SIGQVFHJILUFKR-UHFFFAOYSA-N 449.330 5.858 30 10 IKEE COc1ccc([C@H](CNc2oc(C=Cc3ccc(F)cc3)nc2C#N)N2CCCC2)cc1 2297679792 RUHDXYLFANBTJU-QHCPKHFHSA-N 432.499 5.113 30 10 IKEE Cc1occc1C(=O)Nc1cccc(C(=O)C=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 2314522937 CYLHDNQTQWAZLW-UHFFFAOYSA-N 442.427 5.905 30 10 IKEE COc1ccc(C=C2SC(=Nc3nc(C)cs3)N(C3CCCCC3)C2=O)cc1OC 2314543464 DYVMJJOKAAKLCB-UHFFFAOYSA-N 443.594 5.405 30 10 IKEE CSCCC1CC(C#N)(N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)C1 2321308755 NPRQOHULKQDFDT-UHFFFAOYSA-N 425.392 5.616 30 10 IKEE COc1cccc(C=Nn2c(S)nnc2C2CCC2)c1OCc1c(F)cccc1Cl 2321901590 PSAMJBNLOHQRRI-UHFFFAOYSA-N 446.935 5.097 30 10 IKEE Sc1nnc(C2CCCC2)n1N=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 2321928127 JSTUGGUHLOBYSU-UHFFFAOYSA-N 447.391 5.992 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(C2CCCCC2)C4)cc1 2322016420 FRTKHMPRFHMHAA-UHFFFAOYSA-N 446.591 5.942 30 10 IKEE Cc1cccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCOc2ccccc2)C4)c1 2322038370 RZTJFJMQPRUYIA-UHFFFAOYSA-N 427.500 5.151 30 10 IKEE CC(C)Oc1cccc(C=Nn2c(S)nnc2COc2cc(Cl)ccc2Cl)c1 2322256165 OSEBHXAOLBAXHV-UHFFFAOYSA-N 437.352 5.122 30 10 IKEE COc1ccc(C=C2Oc3c(cc4c(c3C)OCN(C3CCCCC3)C4)C2=O)c(OC)c1 2322328495 AXRXIFAVHPSDIM-UHFFFAOYSA-N 435.520 5.113 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cc(Cl)ccc2OCc2ccccc2Cl)c1 2322663042 ZDWIDXVUIGCNJB-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE Cc1ccccc1C(=O)Oc1cc(C)c2c(c1)OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2322685635 XZVBOKFWERFFKA-UHFFFAOYSA-N 426.512 6.436 30 10 IKEE Cc1cc(OC(=O)c2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)O2 2322701111 JINOFYKFWPREBP-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2cc(C)ccc2C)cc1F 2322705081 BIKQEFBMVODMHM-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1c(OCc2ccccc2)ccc2ccccc12 2322953107 CKATZAKRQHAWGP-UHFFFAOYSA-N 434.579 7.921 30 10 IKEE COc1cc(Br)cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)c1OCCO 2322961398 LAUOAQIHQIWWCM-UHFFFAOYSA-N 447.369 5.331 30 10 IKEE COc1cc(C=NNc2ccc(C)c(Cl)c2)ccc1OCc1ccc(C(C)(C)C)cc1 2322969522 LFLXQKJZNORDTK-UHFFFAOYSA-N 436.983 6.980 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1ccc2c(c1)OC(=Cc1ccccc1Cl)C2=O 2323101779 WOOSQLREXLLWCP-UHFFFAOYSA-N 439.294 6.148 30 10 IKEE CCCOc1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(C)o2)C3=O)cc1 2323461201 IVALIACPEGNIDS-UHFFFAOYSA-N 444.483 5.920 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(OC)c(OCc3ccc(Cl)cc3)c(OC)c2)c1 2323485967 OQPHJSHHUFTURL-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE CCCCCCOc1ccccc1C(=O)C=Nn1c(S)nnc1CCc1ccccc1 2323504135 PIRQPAIJGLIBHW-UHFFFAOYSA-N 436.581 5.028 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1cccc(F)c1 2323532086 FDRLSJUYQXPVEJ-UHFFFAOYSA-N 445.317 7.006 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1 2323580736 CWYLBRDPLNXJOK-UHFFFAOYSA-N 444.369 5.373 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)cc1 2323648466 GAMDXYHXFDQGFX-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)C(C)(C)Oc4ccc(Cl)cc4)ccc3C2=O)o1 2323707987 MZQQOZSTZFGIEP-UHFFFAOYSA-N 438.863 5.621 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Cl)c1OCc1ccccc1 2323767160 AONKCOLMDVOOTR-UHFFFAOYSA-N 427.327 6.867 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1cccc(C)c1 2323802563 GMHLVOXBZLFCNW-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc(C=CC(=O)c3ccccc3)cc2[N+](=O)[O-])c1 2323812492 SMHJWMIBWWKYLY-UHFFFAOYSA-N 430.460 5.125 30 10 IKEE O=C(C=Cc1ccc(OCc2c(Cl)cccc2Cl)c([N+](=O)[O-])c1)c1ccccc1 2323812726 ZMVHEMBFKOMFTB-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE Cc1cc(OC(=O)CCc2cccs2)cc2c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O2 2323983472 KEEJMOONYYAESF-UHFFFAOYSA-N 446.568 6.508 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1Cl 2324183270 DJVJCLMVCAKBKD-UHFFFAOYSA-N 437.898 6.010 30 10 IKEE C[C@H](Oc1ccc2c(c1)OC(=Cc1cccs1)C2=O)C(=O)Nc1ccccc1Cl 2324388748 XSLMRSBCCYPEGC-ZDUSSCGKSA-N 425.893 5.424 30 10 IKEE COc1ccccc1C=C1Oc2cc(OCCCOc3ccc(Cl)cc3)ccc2C1=O 2324548124 IUFIHCSWOPLFSL-UHFFFAOYSA-N 436.891 5.813 30 10 IKEE Cc1cccc(OCCCCOc2ccc3c(c2C)OC(=Cc2ccc(Cl)cc2)C3=O)c1 2324574015 BDBWUVFAYAFOKA-UHFFFAOYSA-N 448.946 6.811 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3)c(Cl)c2)c2ccccc12 2324677013 FCGIWGGMIYKYJC-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE COc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)c(OC)c1 2324787779 TVZVIOAQVMYLSZ-HXUWFJFHSA-N 432.545 5.642 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1ccc2c(c1)OC(=Cc1cccc(Cl)c1)C2=O 2325092696 PKKFPQZUHNSRGW-OAQYLSRUSA-N 442.939 6.237 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC(=O)[C@H](C)Oc3ccc(Cl)cc3)c2)cc1 2325705635 CRFIERADONJSHV-SFHVURJKSA-N 434.919 6.171 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cccc4ccccc34)c2)cc1 2325711692 NFLIYEKMDVAOQA-UHFFFAOYSA-N 434.535 7.298 30 10 IKEE CCCc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c(C)c3)c2)cc1 2325714481 BXSOTGCIAFCACE-UHFFFAOYSA-N 444.527 5.837 30 10 IKEE CCCOc1ccc(C=CC(=O)C(=O)NC2CCCCCCCCCCC2)cc1OCC 2325716821 GOOPEDONGVYHNW-UHFFFAOYSA-N 443.628 6.246 30 10 IKEE CC(C)c1ccc(O[C@H](C)C(=O)Oc2cccc(C=CC(=O)c3ccccc3Cl)c2)cc1 2325717720 ZYPXDPSOGJHXFP-LJQANCHMSA-N 448.946 6.732 30 10 IKEE COc1ccccc1CC(=O)Oc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC 2325735251 XHMJHOXEENWZAY-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE Cc1ccc2oc(=O)cc(COc3ccc4c(c3C)OC(=Cc3ccncc3)C4=O)c2c1 2325741651 XFRULGSHMHNBBY-UHFFFAOYSA-N 425.440 5.000 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OCc4cc(=O)oc5ccc(C)cc45)c3C)C2=O)c1 2325741693 BIEHLHZHYZQJNC-UHFFFAOYSA-N 438.479 5.913 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cccc(Br)c3)c2)cc1C 2325760408 AAFULIFDTRSMIO-UHFFFAOYSA-N 435.317 6.181 30 10 IKEE Cc1nnc(SCc2cccc(F)c2)n1N=Cc1c(Cl)ccc(Cl)c1Cl 2326728690 NNGVKLOOWZOMGS-UHFFFAOYSA-N 429.735 5.860 30 10 IKEE Cc1cccc(CSc2nnc(CCCOc3ccccc3)n2N=Cc2cccnc2)c1 2328723911 NYMVZVDGAUVSBV-UHFFFAOYSA-N 443.576 5.168 30 10 IKEE Oc1ccc(C=Nn2c(COCc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 2329312191 PVYRSEFECYNTTM-UHFFFAOYSA-N 448.523 5.014 30 10 IKEE Clc1ccccc1CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccco1 2329587383 RVAGIJBAJWQVAW-UHFFFAOYSA-N 429.332 6.019 30 10 IKEE CCSc1nnc(COc2ccccc2)n1N=Cc1cccc(OCc2ccccc2)c1 2329901979 GLFVVCHTEXYTLM-UHFFFAOYSA-N 444.560 5.430 30 10 IKEE Clc1ccccc1CSc1nnc(CC2CCCCC2)n1N=Cc1ccccn1 2330273636 UZPXZZSUBCDAFB-UHFFFAOYSA-N 425.989 5.624 30 10 IKEE Cc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2-c2cccs2)cc1 2330596978 OIVRCUUSZVWPGL-UHFFFAOYSA-N 440.597 6.643 30 10 IKEE Cn1cc(C=Nn2c(CC(C)(C)C)nnc2SCc2cccc(F)c2)c2ccccc21 2330833259 FCBSZXQGLJVCLL-UHFFFAOYSA-N 435.572 5.672 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3c(OC)cccc3OC)cc2)cc1C 2330854836 JIVFATPBMZRSAI-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C(F)(F)F)cc3)cc2)cc1C 2330855564 BGOYJXMQQGXXKM-UHFFFAOYSA-N 440.417 6.138 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)cc2)cc1Cl 2330965650 MEWVFHZOQRBNIH-UHFFFAOYSA-N 428.956 6.901 30 10 IKEE Oc1cccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2[C@@H]2CCCO2)c1 2330999151 HNELHYBVIXYKJD-SFHVURJKSA-N 449.363 5.317 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl 2331029172 HDLWUKVAETYDAV-UHFFFAOYSA-N 435.863 5.683 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3c(C)cccc3C)cc2)cc1 2331190095 GGLYAPQTGPPPBD-UHFFFAOYSA-N 430.500 5.583 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Br)c1OC(=O)CC(C)C 2331228776 WSNCQEBRJVLBGZ-UHFFFAOYSA-N 445.353 5.922 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)[C@@H](C)c1ccccc1 2331259669 KPRBSLOHVFQAJI-IBGZPJMESA-N 430.500 5.617 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1ccc(Cl)cc1 2331259920 SSWZBNUJWCCJKJ-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1ccccc1F 2331445339 KPCOKYYXVMBJJK-UHFFFAOYSA-N 434.419 5.068 30 10 IKEE Cc1cc(C(=O)Oc2ccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)cc2)ccc1[N+](=O)[O-] 2331644491 FCJROKYDSIOZCY-UHFFFAOYSA-N 443.499 6.252 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)C(C)(C)C)c([N+](=O)[O-])c2)c1 2331678833 VMSHJWMLOMYXSP-UHFFFAOYSA-N 441.480 5.240 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)c1cccc(F)c1 2331705295 CEAKETYSCQCMTD-UHFFFAOYSA-N 434.463 5.575 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)Cc1ccc(F)c(C)c1 2331709394 OZCVLYMNCNEAJW-UHFFFAOYSA-N 446.518 6.194 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(SCc2cccc(F)c2)nnc1C1CC1 2331734437 GQMDRDLBWUDCPQ-UHFFFAOYSA-N 432.524 5.631 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)[C@@H](C)c2ccccc2)cc1 2331753560 JBNQDWFOSBGGGI-SFHVURJKSA-N 434.919 6.262 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)Cc1ccc(F)cc1 2331773823 IPFZUUMGCYUMST-UHFFFAOYSA-N 446.518 6.194 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(Cl)cc2)cc1 2331780499 BPGYWVDAGNXOMK-UHFFFAOYSA-N 432.947 7.061 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2OC)ccc1OC(=O)c1cccs1 2331878858 KSRHBQUIRYVDGK-UHFFFAOYSA-N 442.920 5.924 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1snnc1C1CC1 2336560799 JWOSKEUMLKFBSH-AWEZNQCLSA-N 435.347 5.184 30 10 IKEE CCC(F)(F)CCSCc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1 2349811677 UQHUUAOSOIKHEV-UHFFFAOYSA-N 435.183 5.417 30 10 IKEE C=C1CCO[C@]12CC[C@H]1[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(C(C)=O)cc3)C[C@@]12C 3930677 YNWTZVKFWBTFFE-ONBAZCQBSA-N 442.599 6.504 30 10 IKEE investigational C=CCOc1c(Br)cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc1OCC 6600404 AVNHCWWXQPZKDM-WOJGMQOQSA-N 441.321 5.702 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(F)c2)cc1 21223460 IGIGRYNYGSGSMR-PIIWDFAUSA-N 442.534 6.594 30 10 IKEE CCc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc3ccccc23)cc1 21229419 VLVLAOGUZNCACB-SLGOVJDISA-N 444.578 7.382 30 10 IKEE CC(C)Oc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2OC(C)C)cc1 21236969 URZZHBNWJXOKMI-SIKLNZKXSA-N 433.548 5.265 30 10 IKEE CCOCCCNC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1 21722871 SLRMXMXCJNOQNQ-RUZDIDTESA-N 447.579 5.439 30 10 IKEE CCc1ccc([C@H]2C3=C(C[C@@H](c4ccc(O)c(OC)c4)CC3=O)Nc3onc(C)c32)cc1 33321101 WBGLFIYLTVLZBJ-HOYKHHGWSA-N 430.504 5.218 30 10 IKEE COc1ccc(Cl)cc1/C=C1/S/C(=N/c2ccc(C)cc2)N(c2ccc(C)cc2)C1=O 33348166 MTZVPOYKYSIUND-VCICBFQVSA-N 448.975 6.774 30 10 IKEE COc1c(Br)cc(Br)cc1CNc1ccc(C#N)c(Cl)c1 37253284 MFHPMWSSTSLYGQ-UHFFFAOYSA-N 430.527 5.357 30 10 IKEE COc1ccc(Nc2oc(-c3ccc(OCc4ccc(Cl)cc4)cc3)nc2C#N)cc1 39841571 BLRPTACDABPAAO-UHFFFAOYSA-N 431.879 6.198 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OC(=O)c3cc4ccccc4o3)ccc2C1=O 41352679 OWSLFORGNZSKPR-QRVIBDJDSA-N 426.424 5.667 30 10 IKEE COc1cccc2cc(C(=O)Oc3ccc4c(c3C)O/C(=C\c3ccc(F)cc3)C4=O)oc12 41353887 NJBGOCLBRSJOKW-MTJSOVHGSA-N 444.414 5.724 30 10 IKEE O=C1/C(=N/N(c2ccccc2)c2ccccc2)c2ccccc2N1Cc1ccccc1Cl 59147185 GWVOXLDDBKYLDB-PBBVDAKRSA-N 437.930 6.429 30 10 IKEE O=C1/C(=N\c2cccc(F)c2)c2ccccc2N1CN(Cc1ccccc1)Cc1ccccc1 59378699 FWYWBMLBXHEXJJ-PNOGMODKSA-N 449.529 5.953 30 10 IKEE COc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc2ccccc12 59535746 KSACQVMGLBDROH-WGOQTCKBSA-N 427.460 5.782 30 10 IKEE C=C(C)COc1cccc(NCC(=O)Nc2cccc(OCCOc3ccccc3)c2)c1 66063056 XBBWIGYUJQNJBD-UHFFFAOYSA-N 432.520 5.150 30 10 IKEE N#Cc1ccccc1Sc1ccccc1C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 72012254 QHXSRIMOXOGXNL-NRFANRHFSA-N 434.948 5.577 30 10 IKEE CCCCCCCOc1cccc(NC(=O)CNc2ccc(C(=O)OCCC)cc2)c1 100062097 LYKNPGGOLZVNGI-UHFFFAOYSA-N 426.557 5.653 30 10 IKEE CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)/C1=N/Nc1cccc2ccccc12 100150619 CXBLCLNZQRAKOM-HPNDGRJYSA-N 425.517 5.462 30 10 IKEE O=C(Nc1ccccc1)[C@@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2cccc(Cl)c2)S1 100402729 QJWQFHGQBHIBOB-AQTDBHCXSA-N 449.963 5.501 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)S/C1=N/c1cccnc1 101124654 XOVSJKAMUBUWFN-DZHGSHHNSA-N 440.868 5.137 30 10 IKEE Cc1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccc(Cl)cc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 102582591 DRKMWZBPSIYESD-SADKCHQCSA-N 448.862 5.183 30 10 IKEE CCCCCCCCOc1ccc(/C=N\c2nc3ccccc3n2Cc2ccccc2)cc1 103012326 FNFDQKZZGIENGL-SWKFRHMKSA-N 439.603 7.575 30 10 IKEE O=C(Nc1ccccc1)c1c(/N=C/c2ccc(Br)cc2)sc2c1CCCC2 103861434 PGQWBKKVGGWYCG-ZVHZXABRSA-N 439.378 6.392 30 10 IKEE CCCc1nnc(SCc2ccc(Br)cc2)n1/N=C\c1ccccc1Cl 135882242 BRRDRAWGZDVKGW-UUYOSTAYSA-N 449.805 5.821 30 10 IKEE CCCCCOc1ccc(/C=N\Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1OCC 169941730 MBJNTBZBUPJNMF-QQXSKIMKSA-N 437.609 6.841 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccc(O)cc2)c1 169958934 QPKLFKLYCWTCDR-SANMLTNESA-N 449.506 5.945 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1cccs1)c1cccc(Cl)c1 169985775 VZCKOVQFPGBDNE-GOSISDBHSA-N 430.312 5.838 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2cccnc2)cc1C 170006087 WJHHDXIZTYTGKI-QFIPXVFZSA-N 432.907 5.443 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)c1 170065205 FBBGKAQMXOBHNN-HSZRJFAPSA-N 449.453 5.142 30 10 IKEE Cn1cc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccccc2)c2ccccc21 170083961 UDIUQZCQEWQJDF-QHCPKHFHSA-N 442.902 5.615 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccccc2C)s1 170088441 NMKYCKLGJZFYKF-LJQANCHMSA-N 440.471 5.129 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2sccc2C)c1 170105024 ABJWFEMZKXEUOU-OAQYLSRUSA-N 433.529 5.465 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)(C)C)c2)[C@H]1c1ccc(O)cc1 170136925 IHCXXAYLSAMTHN-JOCHJYFZSA-N 437.536 5.077 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccc(C)c2)cc1C 170143008 RHMHVBSEAYNLQJ-VWLOTQADSA-N 441.527 5.712 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1cccs1)c1ccc2c(c1)CCCC2 170155344 JEJRKFWFOCRBOD-QFIPXVFZSA-N 433.504 5.549 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2cccs2)c1C 170158795 VXAMKZVRCWQXQA-FQEVSTJZSA-N 434.473 5.056 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccccc2)c(OC)c1 170225140 GRPNTEQMSWYHQB-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2F)c1 170253610 ZMTKEVVMPFYAQH-HXUWFJFHSA-N 429.875 5.009 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccc(O)c2)cc1 170259244 BLPCALNYTFPCGI-XMMPIXPASA-N 443.499 5.210 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(CC)cc2)cc1C 170266393 XXHGARMGXCARBS-XMMPIXPASA-N 445.515 5.328 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccco2)cc1C 170282772 LHJPWCASQHMRAH-DEOSSOPVSA-N 445.515 5.777 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2c[nH]c3ccccc23)cc1 170383365 IIWGJZHNWAXYFZ-VWLOTQADSA-N 436.511 6.074 30 10 IKEE CC(C)Oc1ccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(C(C)C)cc2)cc1 170473159 RQLBXXFGGYQQNM-QHCPKHFHSA-N 435.564 6.112 30 10 IKEE COc1ccc(N2C(=O)C(=O)/C(=C(O)/C=C/c3ccccc3)[C@@H]2c2ccccc2F)cc1 229108796 MGLATFUNRHULEZ-JJPXBLDVSA-N 429.447 5.017 30 10 IKEE CC(C)(C)c1cc(N=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(O)c(C(C)(C)C)c1 252635727 WZZZRMIDDQGNHY-UHFFFAOYSA-N 437.668 8.038 30 10 IKEE Cc1ccc(N=C2S/C(=C/c3ccc(N(C)C)cc3)C(=O)N2CCc2ccccc2)cc1 254381835 PURNNGBZHLCNJK-QVHQMSOGSA-N 441.600 5.908 30 10 IKEE O=C(Oc1ccc2ccccc2c1C=NNCc1ccccc1)c1cccc([N+](=O)[O-])c1 254431795 ARYSPAPGSKJPMR-UHFFFAOYSA-N 425.444 5.091 30 10 IKEE O=C(OCc1ccccc1)N1C[C@H](c2ccc(Cl)cc2Br)[C@@H](CS)C1 382691534 IPTPYPVVJLECAK-PBHICJAKSA-N 440.790 5.385 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccc(Cl)c2)cc1 526486276 NYLPFFDGWVPXKQ-QHCPKHFHSA-N 430.891 5.668 30 10 IKEE CCCOc1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526606962 LGINBMFBOWSTON-DEOSSOPVSA-N 428.463 5.543 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccccc2O)c1 526744602 VUZZJQWFZXSWLE-NRFANRHFSA-N 435.501 5.025 30 10 IKEE CCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1ccc(OC(C)C)c(Cl)c1 526802128 DEAPQRGOLLRSIK-MSXFZWOLSA-N 432.952 5.595 30 10 IKEE CCCCOc1ccc(/C=N\n2c(C)nnc2SCc2ccc(C(C)(C)C)cc2)cc1 526806205 XBCVMAVBKDIXTC-ONUIUJJFSA-N 436.625 6.237 30 10 IKEE Cc1cc(C)cc(CSc2nnc(CCc3ccccc3)n2/N=C\c2cccnc2)c1 526809004 FPFLBEABESSEOK-PKAZHMFMSA-N 427.577 5.250 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1ccc(O)c(OC)c1 526815258 VSTZJTHDXWBVGT-YVNNLAQVSA-N 437.352 5.036 30 10 IKEE CCCOc1ccc(/C=N\n2cnnc2SCc2cccc3ccccc23)cc1Cl 526819398 AFYCBVQJCJUWKF-WGARJPEWSA-N 436.968 6.048 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1cccc(OCC)c1 526824096 JXRIGBSXXGMRDL-CFRMEGHHSA-N 449.407 6.111 30 10 IKEE C=C(C)CN(c1cccc(C(=O)OC)c1)S(=O)(=O)c1ccc(CCCCCC)cc1 586236701 UQBXSHRVRMKJIQ-UHFFFAOYSA-N 429.582 5.367 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Br)c(F)c1F 689628840 RYPLEBZJXSBLFE-RHSMWYFYSA-N 433.337 5.237 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1cccc(Cl)c1F 698454877 YCUPDFRBMHKWHH-MRXNPFEDSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@](C)(C#N)c1ccc(Br)cc1F 710757932 KAKCKMLQFXSYHI-OAQYLSRUSA-N 433.321 5.764 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3ccc(Cl)cc3)n2)cc1 1084044997 IPPFBICZBDZRRT-CQSZACIVSA-N 442.976 5.148 30 10 IKEE CC1(C)[C@@H](C(=O)OC/C=N/OCc2c(F)c(F)c(F)c(F)c2F)[C@@H]1C=C(Cl)Cl 1614950099 SBFCERKFEHNPBW-UUPQITILSA-N 446.199 5.019 30 10 IKEE C=CCN(CC=C)c1cc(-c2cc3cnccc3c(NCCCCN3CCCC3)n2)ccn1 1857835850 AEXYNPNZUHDHKV-UHFFFAOYSA-N 442.611 5.158 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccc2O[C@H](CC)C(=O)OCCC)c1 1858738051 UIINFYPGXKZVPR-HXUWFJFHSA-N 439.556 5.282 30 10 IKEE CCCCCCCCCNC(=O)[C@H](C)Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 1860269446 DCQGXDWKHVRZNU-KRWDZBQOSA-N 448.003 5.959 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCC)NC(=O)c1ccc2nc(CC(C)C)[nH]c2c1 1861451208 IWHMKFAGVDHAIU-NRFANRHFSA-N 428.621 5.137 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccccc2)cc1 1862387691 QKITUFLWAKQZFF-VWLOTQADSA-N 431.576 6.330 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(Cl)cc1Cl 1862416630 QRQMQMDBRWDGLX-MGNBDDOMSA-N 440.273 5.648 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc(Cl)c1 1862432991 ROMQSWQIBBWOJU-YFZFPPMRSA-N 444.358 6.150 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCC(C)C)c1 1862450216 BYNRZCCUDHIBKE-JOCHJYFZSA-N 441.955 5.753 30 10 IKEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C)cc2)cc1 1862475237 HJNIRMNTLPPVRF-DFBJGRDBSA-N 441.527 5.652 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2cccc(F)c2)cc1 1862489724 ZOKJVQNFXSLUPA-RUZDIDTESA-N 443.518 5.572 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1ccc(F)cc1 1862517759 UZXRJSDLDUTMKK-QHCPKHFHSA-N 439.527 5.773 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1 1862534949 VNCZARHSOQUQEZ-VWLOTQADSA-N 448.607 5.293 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2cccc(Cl)c2)cc1 1862554470 DIQTYKXQCVHHNS-JOCHJYFZSA-N 432.907 5.009 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862555863 JUGHHJHFNUUAQQ-XMMPIXPASA-N 430.548 5.300 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2cc(C)ccc2C)cc1 1862590397 IBIMMFPMZLZPRG-VWLOTQADSA-N 441.527 5.350 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1cccc(Cl)c1 1862592065 UUZYSIBUDJNKPE-RFVSGWPVSA-N 425.912 5.203 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)c1 1862614066 XERQVGPBMPOXLP-BFMBIBTESA-N 445.603 6.450 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccccc1C(=O)O 1862616855 TXBCSSFTBHCVJO-YCRPNKLZSA-N 435.520 5.059 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(F)cc2F)cc1F 1862640149 DNTRSSYNFBFERJ-OAQYLSRUSA-N 445.437 5.024 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C(C)C)cc1 1862655960 SXGLHAUVYXEIBF-DEOSSOPVSA-N 429.516 5.615 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862660573 KAWYCRRFDPXOKG-ZJSXRUAMSA-N 444.531 5.049 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccccc1C(=O)O 1862664820 RUIXDGROUWEINS-JOCHJYFZSA-N 435.520 5.133 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1 1862675519 MYLVHQXHIHZDIG-XMSQKQJNSA-N 441.499 5.174 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1 1862675717 RTVGONIUVPMHKD-QFIPXVFZSA-N 443.946 6.418 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2cccc(Cl)c2)cc1 1862689527 SNPKWQIOTWQJCW-ZAOYMGCJSA-N 439.939 5.506 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(OC)c(O)c1 1862727776 LPESWPJAJPSFCE-DEOSSOPVSA-N 443.499 5.056 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1Cl 1862750743 CTNKYQOFXQTYQY-HXUWFJFHSA-N 442.899 5.407 30 10 IKEE N#Cc1ccc(NC2=C(c3cccc4ccccc34)C(=O)N(c3cccc(Cl)c3)C2=O)cc1 1862843774 FOVBKLCNKVYPPG-UHFFFAOYSA-N 449.897 5.761 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(F)c(C)c3)C2=O)c1 1863086925 XXBMHNYEMBVKCF-UHFFFAOYSA-N 425.463 5.019 30 10 IKEE Cc1ccc(/C(=C/C(=O)N[C@H](C(=O)Nc2ccccc2C#N)c2ccccc2)C2CC2)cc1C 1866692242 MHAPZBRXMJHCSJ-DBLMTGOPSA-N 449.554 5.465 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](CCSC)NC(=O)C[C@@H](c1ccc(C(C)C)cc1)C(C)C 1868704520 JXIZLEYDVICEFY-RPWUZVMVSA-N 444.685 5.378 30 10 IKEE CCCCCCCOc1cn(C[C@H]2CCCO2)c(CNc2ccc(Cl)cc2)cc1=O 1870833410 HRWLSHXHOZXPNW-JOCHJYFZSA-N 432.992 5.642 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OC)c(=O)cc1CNc1ccc(Cl)c(C)c1 1870872703 SQEPXDIBEDOKKW-UHFFFAOYSA-N 448.991 5.335 30 10 IKEE CCCCCCCCn1cc(OCCCC)c(=O)cc1CNc1ccc(C)c(Cl)c1 1871111105 UBBHUGLRVYJOEX-UHFFFAOYSA-N 433.036 6.962 30 10 IKEE CCCCCCCCN1COc2c(cc3c(c2C)O/C(=C\c2ccccc2OCC)C3=O)C1 1871355333 FHRDEMNSLXEIPO-UQQQWYQISA-N 449.591 6.522 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1cccs1)C3=O)CN(C13CC4CC(CC(C4)C1)C3)CO2 1871358815 CONGQHWGRJSWST-AFPJDJCSSA-N 433.573 5.793 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc3C2=O)c1 1871371873 NDEPUFKZMWHTKY-IMRQLAEWSA-N 446.502 6.349 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O)c1cccc(Oc2ccccc2)c1 1871378864 CYOPXKQAOOPKBA-JLPGSUDCSA-N 440.476 6.376 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OC(=O)c3cccc(OCC(C)C)c3)ccc2C1=O 1871379007 FRTOABDGBZIPBV-QFEZKATASA-N 444.483 5.565 30 10 IKEE Cc1c(OC(=O)COc2ccc(Cl)cc2)ccc2c1O/C(=C\c1ccccc1F)C2=O 1871381082 NBIJPXSAZQLZQV-MTJSOVHGSA-N 438.838 5.388 30 10 IKEE CCc1ccc(NC(=O)[C@@H](CC)Oc2ccc3c(c2)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871425850 RBDRCCIVXUNVLD-HRXKUDGMSA-N 431.488 5.563 30 10 IKEE COc1ccc(CCOc2ccc3c(c2)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)cc1 1871447638 AABKCLIJBRGSRA-ONUIUJJFSA-N 428.528 6.230 30 10 IKEE C=CCN=c1nc(Nc2ccc(Cl)cc2C)[nH]c(N(CCCC)CCCCCC)n1 1871569701 UAYGKRQZXAVRED-UHFFFAOYSA-N 431.028 5.784 30 10 IKEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1ccccc1 1871827783 YAKBGZBQZMTKKN-QHCPKHFHSA-N 428.598 5.013 30 10 IKEE N#C[C@@H](C(=O)/C=C/c1ccc(Cl)cc1Cl)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1872759358 LTZXCMNQYIYONY-YERXGYGTSA-N 444.299 5.915 30 10 IKEE CCCCCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(CC)cc3)cs2)cc1 1872760972 CJELGRKPKHGTCC-QHCPKHFHSA-N 432.589 6.822 30 10 IKEE N#C[C@H](C(=O)c1c(Cl)ccc(Cl)c1Cl)c1nc(-c2ccccc2Cl)cs1 1872763951 AUMPQIOEXIDBFN-SNVBAGLBSA-N 442.154 6.914 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2C)cs1 1872769365 QGAZABZMHOYNRI-CQSZACIVSA-N 431.344 6.232 30 10 IKEE CC(C)c1ccc(O[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1 1872777765 VVRXHNCNQWEAJL-JXFKEZNVSA-N 429.545 6.059 30 10 IKEE CCCCN(CCCC)CC(=O)[C@H](C#N)c1nc(-c2ccccc2)c(C(=O)OCC)s1 1872798979 BJVURFQNJYOYKA-IBGZPJMESA-N 441.597 5.065 30 10 IKEE CCCCCCCCNC1=C(c2ccc(-n3cccc3)cc2)C(=O)N(C2CCCCC2)C1=O 1873038323 LPOWOEZUIQHBJR-UHFFFAOYSA-N 447.623 5.840 30 10 IKEE CCCCCCCCNC1=C(c2cc(F)c(F)cc2F)C(=O)N(C2CCCCC2)C1=O 1873063234 OWUSZOSRVGIHCP-UHFFFAOYSA-N 436.518 5.467 30 10 IKEE CCCCCCCCNC1=C(c2c(C)cc(C)cc2C)C(=O)N(Cc2ccc(C)cc2)C1=O 1873120661 CJGOMRPCOGDLGT-UHFFFAOYSA-N 446.635 6.150 30 10 IKEE O=C(N[C@H]1CCCc2c1[nH]c1ccc(F)cc21)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1873708109 FYLJJMGIGOMWMT-KRWDZBQOSA-N 444.350 6.152 30 10 IKEE CCOc1ccc(OCc2nnc(SC)n2/N=C/c2c(OC)ccc3ccccc23)cc1 1874234613 QOMGOHHTAZRKHH-MFKUBSTISA-N 448.548 5.022 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1cccnc1 1874269223 XCTINCJHKQNPAO-RDRPBHBLSA-N 449.583 5.900 30 10 IKEE Clc1ccc(CCc2nnc(SCCc3ccccc3)n2/N=C/c2cccnc2)cc1 1874283459 IYDDXKICJOULFB-OVVQPSECSA-N 447.995 5.329 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3cccc(C)c3)n2/N=C/c2ccncc2)cc1 1874301617 IKTNCLOPQZSRJT-WPWMEQJKSA-N 443.576 5.146 30 10 IKEE O=[N+]([O-])c1cccc(/C=N/n2c(SCc3ccccc3F)nnc2-c2cccs2)c1 1874422421 LGNPYQOBTHNBAM-WSDLNYQXSA-N 439.497 5.228 30 10 IKEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3)nnc2-c2ccccc2)cc1 1874425731 XOUJGWNZCCRWRD-YZSQISJMSA-N 441.560 5.121 30 10 IKEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2C2CCCC2)cc1 1874452126 FKHRJZGHAKAQAL-CVKSISIWSA-N 447.608 5.474 30 10 IKEE Fc1cccc(Cl)c1/C=N/n1c(SCc2ccc(Cl)cc2)nnc1C1CCC1 1874496891 JRMHLZLDSXBWPP-BHGWPJFGSA-N 435.355 6.166 30 10 IKEE Cc1ccc(Cc2nnc(S)n2/N=C/c2ccc(OCc3ccccc3F)cc2)cc1 1874561223 JCUNZWWLAPMZHT-CVKSISIWSA-N 432.524 5.066 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C)cc2C)c1OCC(=O)Nc1c(C)cccc1C 1874579059 USITYNMZEOZTBM-FYWRMAATSA-N 443.543 5.842 30 10 IKEE Cc1cc(C(=O)/C=C/c2cc(Br)ccc2OCc2ccccc2)ccc1F 1874580501 QTKPMSHRHDAOJL-DHZHZOJOSA-N 425.297 6.372 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccccc1OCc1ccccc1Cl 1874586398 LTLUPXAIWBCYKZ-ZHACJKMWSA-N 447.745 7.131 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OCc2nc(O)c3ccccc3n2)c1 1874596903 IYWCSIDOPNEWPR-VAWYXSNFSA-N 426.472 5.128 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OCC(=O)Nc1ccc(C)cc1 1874598686 ZEKQOXFHANNGPB-VZUCSPMQSA-N 437.442 5.195 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(Cl)c1OCCc1ccccc1 1874605296 VKVKDZOBCKCQOB-NTCAYCPXSA-N 434.963 6.819 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3cc(C)ccc3C)c([N+](=O)[O-])c2)cc1C 1874607177 VBBRAWLEOGLZRV-JXMROGBWSA-N 431.488 6.004 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OC 1874611140 CJOBHMLSCYAIFD-FYWRMAATSA-N 445.515 5.180 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCc3c(F)cccc3Cl)c(Cl)c2)cc1 1874613578 BKMWOLQYAUBIDX-WUXMJOGZSA-N 445.317 7.006 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OCc3cccc(Cl)c3)c([N+](=O)[O-])c2)c1C 1874629187 QCPWMZFBGCWXNA-CSKARUKUSA-N 449.934 6.957 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3c(C)cc(C)cc3C)cc2OC)o1 1874635235 KBMJQRBVIKTVMJ-JXMROGBWSA-N 448.515 5.865 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OCC(=O)Nc1ccccc1C 1874635547 RQANBKNFRDYXGL-ZRDIBKRKSA-N 443.543 5.842 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cc(OC)c(OCc3cccc(C)c3)c(OC)c2)cc1C 1874636833 UTEFRJRPOLWTMT-ZHACJKMWSA-N 446.543 6.113 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cc4ccccc4n3C)c2)cc1OC 1874694328 XTYNOTOEXNCYDE-ACCUITESSA-N 441.483 5.311 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)COc3cccc(C)c3C)c2)c1 1874694611 MCPDLZRHBNRWNF-ACCUITESSA-N 446.499 5.201 30 10 IKEE COc1cccc(C(=O)Oc2cccc(/C=C/C(=O)c3cc(C(C)(C)C)ccc3OC)c2)c1 1874709969 RUWKWHOJLGEXBU-WYMLVPIESA-N 444.527 6.117 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3cc(C)cc(C)c3OC)c2)cc1 1874713284 OVJZLTRMPXTMLD-JLHYYAGUSA-N 430.500 5.365 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccco3)c2)c1 1874713499 ZNBQKMSEZDREOJ-DHZHZOJOSA-N 436.460 5.201 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(Br)c(O)c(Br)c2)cc1 1874719120 DSVWVUFZLFTYJJ-FPYGCLRLSA-N 440.131 5.602 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)c1ccccn1 1875120224 ISAGRHRISVFLKX-VMPITWQZSA-N 429.806 5.137 30 10 IKEE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc(/C=C/C(=O)c3cccc(Cl)c3)cc2)cc1 1875123423 KWHZHCKNGLBGIX-HVRVZBDQSA-N 448.946 6.732 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(OC)c3)c([N+](=O)[O-])c2)cc1 1875130006 FFKUJZPCLLVOCW-NTUHNPAUSA-N 447.443 5.117 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)CCOC)c(OCC)c2)cc1 1875138697 UQWVWPALRQVAGE-IZZDOVSWSA-N 446.927 5.366 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2)c(C)c1 1875156382 XXXKNMLVHQPGCA-OVCLIPMQSA-N 428.528 6.307 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C)cc(C)c3OC)cc2OC)c1 1875171972 WUJFUXXXSYANGM-PKNBQFBNSA-N 446.499 5.445 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)ccc1OC(=O)C1CCCC1 1875181911 CKHLSESGUFYMSP-CSKARUKUSA-N 428.912 5.657 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cc(C)ccc3C)cc2)cc1Cl 1875187000 JEPCOANWQPZKPZ-XYOKQWHBSA-N 434.919 6.010 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]1(CC)CCCN(C(=O)OC(C)(C)C)C1 1922068881 MBQNTIGUEQOOEW-BVAGGSTKSA-N 430.633 5.555 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@@]1(C#N)[C@@H](CNC(=O)OC(C)(C)C)CCC12CCC2 1924921094 VAFQTFWCKIVPEJ-KOSHJBKYSA-N 435.609 5.247 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1926494078 PSBBLELRVYLWKE-QRQCRPRQSA-N 435.952 5.231 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 1944697679 LASCUBRMEUVOOM-AZUAARDMSA-N 435.609 5.486 30 10 IKEE C#CCCCC[C@@H](NCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2005495593 ZSPHVARCOVTSNG-BVAGGSTKSA-N 428.617 5.002 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C12CCCC2 2017305232 AKAJDJXISUKKAY-DEOSSOPVSA-N 427.545 5.254 30 10 IKEE C=CCCCCCCCCCC(=O)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2026309955 KLARCEQQQHZVGO-UHFFFAOYSA-N 429.645 7.470 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CC[C@@H](CCNC(=O)OC(C)(C)C)C1 2037231031 IPHCWQRZWWNKLD-DFBJGRDBSA-N 443.588 5.714 30 10 IKEE COc1ccc(OCc2ccccn2)c(C=CC(=O)c2cc(Cl)c(OC)cc2OC)c1 2042453145 ZELSVHVZRCIGDC-UHFFFAOYSA-N 439.895 5.236 30 10 IKEE CC(C)(C)CN(Cc1ccccc1)c1ncc(B2OC(C)(C)C(C)(C)O2)c2ccsc12 2052609076 QVQGIGAMAHFTQH-UHFFFAOYSA-N 436.430 5.648 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@H]2C(C)C)cc1 2067954701 KBTNHWITPCNYPN-CPJSRVTESA-N 443.588 5.664 30 10 IKEE C=C(C)[C@@H](NCCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071360192 WLCVPEICUHSHMJ-IZLXSDGUSA-N 431.576 5.822 30 10 IKEE COc1c2c(nc3c(-c4cc(F)cc(C(F)(F)F)c4)c(C(F)(F)F)nn13)CCCC2 2081535049 FYPDOGADIDYDEJ-UHFFFAOYSA-N 433.327 5.460 30 10 IKEE CC1(C)OB(c2cnc(Oc3ccc(Cl)cc3Cl)c(Br)c2)OC1(C)C 2115996210 LEQZFEUPCWEKMK-UHFFFAOYSA-N 444.949 5.242 30 10 IKEE CC(C)[C@@H](C)N(Cc1ccccc1)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1C(F)(F)F 2116145898 PEYNUCFNSNYKLJ-QGZVFWFLSA-N 448.338 5.451 30 10 IKEE C#CCCCC[C@@H](NCCC)c1cc(Br)ccc1I 2116842514 LZXJIRYLGAJTMQ-MRXNPFEDSA-N 434.159 5.288 30 10 IKEE CC(C)(C)OC(=O)N1CCCC(C)(C)[C@H]1CNc1cc(Br)c(C#N)cc1F 2184314221 XVOOBRMYLURUEP-QGZVFWFLSA-N 440.357 5.297 30 10 IKEE C=CCCN(Cc1ccccc1)c1cc2c(cc1Br)[C@@H](NCCC)C(=O)N2 2185657722 KEEPEIMLKBAMNM-OAQYLSRUSA-N 428.374 5.025 30 10 IKEE C=CCC1([C@H](NCC)c2cc(Cl)c(Cl)cc2Cl)CN(C(=O)OC(C)(C)C)C1 2201282086 VJUGBIKUIZZDSD-QGZVFWFLSA-N 433.807 6.111 30 10 IKEE C=C(C)CCCC[C@H](OCCCN)c1scc(Br)c1Br 2292789012 BPTAVYAYBAAMCJ-ZDUSSCGKSA-N 425.230 5.816 30 10 IKEE O=C1C(=O)N(c2ccccn2)[C@@H](c2cccc(Cl)c2)C1=C(O)c1ccc(Cl)cc1 2296124893 ZWAAUTXRPQCQGQ-IBGZPJMESA-N 425.271 5.015 30 10 IKEE CC(C)(C)OC(=O)NC1CCC(CCC(=O)C#Cc2ccc(Br)cc2)CC1 2296274479 UKZAJRSQEINGOA-UHFFFAOYSA-N 434.374 5.233 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CC2)cc1OC 2320879109 ICQRIUWHZUIUAK-UHFFFAOYSA-N 428.945 5.001 30 10 IKEE CC(C)[C@H]1C[C@H](Nc2ccc(C#N)cc2Br)CN1C(=O)OCc1ccccc1 2321266613 YNUNHIUFRKMNKV-GHTZIAJQSA-N 442.357 5.168 30 10 IKEE CSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccc(C)cc1 2321395607 XUQBRGCSYOWNEN-UHFFFAOYSA-N 428.989 5.472 30 10 IKEE Cc1cc(OCc2c(F)cccc2Cl)cc2c1C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)O2 2321802450 IDYQTFDKGXFUAI-UHFFFAOYSA-N 439.826 5.891 30 10 IKEE Sc1nnc(-c2cccs2)n1N=Cc1cccc(OCc2cccc(Cl)c2)c1 2321908122 YGQGKTHNZMJPNY-UHFFFAOYSA-N 426.954 5.410 30 10 IKEE Cc1ccc(Cc2nnc(S)n2N=Cc2ccccc2OCc2ccccc2C)cc1 2321968302 JZLYMYMHGKUCKS-UHFFFAOYSA-N 428.561 5.236 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1cccc(Cl)c1)c1ccc2ccccc2c1 2322326415 OHMBKAHXCXCFMV-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cc(Cl)ccc1OCc1cccc(Cl)c1 2322856546 YTRZWXBKQQLXLZ-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2ccccc2OCc2cccc(F)c2)cc1Cl 2322969152 DHHPCCQGARVGGA-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE CCOc1ccc(OCC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2C)C3=O)cc1 2323078694 QWHAHEKGDRCXKE-UHFFFAOYSA-N 444.483 5.303 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OCc1c(Cl)cccc1Cl 2323168553 IANSAKZBWZXBBQ-UHFFFAOYSA-N 445.317 6.925 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc2c(c1C)OC(=Cc1cccs1)C2=O 2323176483 CQVHMFIQMWHBRL-UHFFFAOYSA-N 434.513 5.746 30 10 IKEE CCOc1cc(C=NNc2nc(O)cc(C(C)C)n2)ccc1OCc1ccccc1Cl 2323248509 ZRZFBHIAOSWSSL-UHFFFAOYSA-N 440.931 5.383 30 10 IKEE CCCN(CCC)C(=O)COc1cccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)c1 2323303259 CDDAVWKTNVCRAS-UHFFFAOYSA-N 435.608 6.216 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1Cl)Nc1ccccc1 2323422979 RJRDLABUKKOQQV-UHFFFAOYSA-N 445.946 6.132 30 10 IKEE CCC(CC)c1nnc(S)n1N=Cc1ccc(OCc2cc(C)ccc2C)c(OC)c1 2323485733 BHDCEXJZXRJEJW-UHFFFAOYSA-N 438.597 5.557 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccccc2Cl)cc1Cl)Nc1ccccc1F 2323603217 ATCPXPKSFCFUEP-UHFFFAOYSA-N 444.289 6.046 30 10 IKEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1F 2323674737 WWKTWQAHBSZCPQ-UHFFFAOYSA-N 441.842 5.871 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2OC)cc(OC)c1OCc1ccc(F)cc1 2323718982 YOCZCPXXNMXRRU-UHFFFAOYSA-N 432.491 6.047 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)cc(OC)c1OCc1cc(C)ccc1C 2323720140 PZEZACZFADVTDF-UHFFFAOYSA-N 438.470 6.074 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OCC(=O)NCc1ccccc1 2323768005 ZHYCOPXVBJXAPX-UHFFFAOYSA-N 449.934 5.330 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccncc2)C3=O)c(OCC)c1 2323790121 LAGZQEBEZKYCQB-UHFFFAOYSA-N 445.471 5.023 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1)Nc1nccs1 2323879595 IZBRCLHFNZBALW-UHFFFAOYSA-N 433.316 5.364 30 10 IKEE Cc1ccccc1COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1Cl 2323882355 RFIMDOFGQMOBRE-UHFFFAOYSA-N 431.746 7.430 30 10 IKEE CCN(CCc1ccncc1)Cc1c(O)cc(C)c2c1OC(=CC=Cc1ccccc1)C2=O 2324091299 BKEAFBNUYWOGBY-UHFFFAOYSA-N 440.543 5.333 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 2324178589 BZZLBPWCWHQIEQ-UHFFFAOYSA-N 441.842 5.871 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc(C)cc3)c([N+](=O)[O-])c2)c(C)c1C 2324305359 LWITUKONVAFARK-UHFFFAOYSA-N 431.488 6.004 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1cccs1)C2=O 2324335534 CFKZIYWALSZQCF-MRXNPFEDSA-N 433.529 5.641 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2Cl)cc2c1C(=O)C(=Cc1cccs1)O2 2324391695 CJQJQGDNZVGOHM-AWEZNQCLSA-N 439.920 5.732 30 10 IKEE CCCOc1c(OCC)cc(C=CC(=O)c2cc(Cl)c(OC)cc2OC)cc1[N+](=O)[O-] 2324428675 JALLKDMIKGNJCZ-UHFFFAOYSA-N 449.887 5.349 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OCC(=O)OCC(C)C 2324545064 ACZAZJSSOMQUMA-UHFFFAOYSA-N 444.955 5.748 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OCc2ccccc2F)c([N+](=O)[O-])c1 2324574760 HMEJPWFZQYIFQJ-UHFFFAOYSA-N 447.506 6.815 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1N=Cc1cccc(Br)c1 2325514038 QLBRJYZQAJISFG-UHFFFAOYSA-N 429.387 5.558 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(OCC)cc1 2325572093 RBZOZPJZQWNHTA-UHFFFAOYSA-N 432.952 5.596 30 10 IKEE COc1ccccc1OCC(=O)Oc1cccc(C=CC(=O)c2ccc3c(c2)CCCC3)c1 2325701914 BHXHPXGEZWEXST-UHFFFAOYSA-N 442.511 5.455 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1OC(=O)c1cccc(F)c1 2325708412 LKUZPSIJTAOCBW-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)c1 2325721397 YDSYFMSUDGIOQC-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE CC(C)c1ccc(O[C@H](C)C(=O)Oc2cccc(C=CC(=O)c3cccc(Cl)c3)c2)cc1 2325728509 MQNGKSCZQQVATH-LJQANCHMSA-N 448.946 6.732 30 10 IKEE Cc1cc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc(F)cc3)c2)cc(C)c1Cl 2325751302 XWHWXRQPKDOWHQ-UHFFFAOYSA-N 438.882 5.976 30 10 IKEE COc1ccc(C(=O)Oc2cccc(C=CC(=O)c3c(C)cc(C)cc3C)c2)cc1OC 2325764636 UJWVSFVQLIRCHV-UHFFFAOYSA-N 430.500 5.744 30 10 IKEE C=C(C)CSc1nnc(COCc2ccccc2)n1N=Cc1ccc(N(CC)CC)cc1 2329339512 SLLAJWFYFPNHOW-UHFFFAOYSA-N 449.624 5.392 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccco1 2330078745 LGDQRXPCGVCXES-MRXNPFEDSA-N 433.493 5.106 30 10 IKEE CCCSc1nnc(CCc2ccccc2)n1N=Cc1cc(Br)ccc1F 2330202553 COWUVCLDIUNPIS-UHFFFAOYSA-N 447.377 5.349 30 10 IKEE O=[N+]([O-])c1ccccc1C=Nn1c(CC2CCCCC2)nnc1SCCc1ccccc1 2330275864 ORTSQEVZFWSSKC-UHFFFAOYSA-N 449.580 5.526 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)[C@H]1[C@@H]2CCC(F)(F)[C@@H]21 2330656957 RGETUSGKVQLHID-JJXSEGSLSA-N 427.289 5.374 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2330765221 DXRRQMWEVAGCSM-UHFFFAOYSA-N 445.471 5.671 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2)ccc1OC(=O)c1sccc1C 2330874285 LAFJCGFGYORPBP-UHFFFAOYSA-N 436.529 5.888 30 10 IKEE Clc1ccc(CSc2nnc(C3CCCC3)n2N=Cc2ccccc2)c(Cl)c1 2331097000 UADLLWSVLFSTDQ-UHFFFAOYSA-N 431.392 6.417 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2Cl)cc1 2331165628 IGCIPIQOVHOMGV-UHFFFAOYSA-N 434.919 6.173 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3cc(OC)ccc3OC)cc2)c1 2331382238 OBUSJJJIVRVFBY-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccccc1[N+](=O)[O-] 2331406489 RNCHJYVFUNWAAX-UHFFFAOYSA-N 429.933 5.312 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1 2331489968 OPSYLPAHWNJUJT-UHFFFAOYSA-N 434.919 6.587 30 10 IKEE Cc1ccc(C=Nn2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2C2CCC2)cc1 2331498024 ZENFXVKLUYYHKG-UHFFFAOYSA-N 433.581 5.084 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)c1ccccc1OC 2331673245 VZRSRFNXEXCPLX-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE CC(C)c1nnc(SCc2cccc(Cl)c2)n1N=Cc1c(Cl)cccc1Cl 2331708150 HASBEFRLTFBFMW-UHFFFAOYSA-N 439.799 6.536 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc(O)cc1O 2331709301 ASBISPDTEQAZOB-UHFFFAOYSA-N 437.352 5.294 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 2331715194 PTHDBAJNBYNWDM-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE C[C@H](CCCNC(=O)OC(C)(C)C)COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339604116 KYHSIDYBPRZAEY-KAUXGEHWSA-N 446.397 5.046 30 10 IKEE Cc1cc(CSCc2ccccc2Br)cc(B2OC(C)(C)C(C)(C)O2)c1 2369727933 FEMURDAKHKNOQE-UHFFFAOYSA-N 433.220 5.490 30 10 IKEE COc1ccc(/N=C/c2cc(Br)c(O)c(Br)c2O)cc1Cl 1433907 KQAIORDQTOQCJN-NGYBGAFCSA-N 435.499 5.035 30 10 IKEE COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(Cl)cc1 21248792 HZFPRRJNCFQJTQ-QLXKLKPCSA-N 430.935 6.328 30 10 IKEE COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(-c4ccccc4)cc2)C3=O)c1 33367662 UEWSCFOCFCHLNN-YUMHPJSZSA-N 448.474 6.198 30 10 IKEE CCCCN(CCCC)Cc1c(O)ccc2c1O/C(=C/c1cc(OC)ccc1OC)C2=O 37857893 QLJJSNRDBMCEGI-LFVJCYFKSA-N 439.552 5.428 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/Nc1ccc(F)cc1)CCC2 40823838 LBVSFOFSJKZJTA-MTDXEUNCSA-N 425.891 6.094 30 10 IKEE C[C@@H]1CCc2c(C#N)c(NC(=O)COc3cc(Cl)ccc3Cl)sc(=S)c2C1 41014410 UUJXFOYCPJZFRV-SNVBAGLBSA-N 439.389 5.798 30 10 IKEE C=Cc1ccc(COc2ccc3c(c2C)O/C(=C\c2ccc(C(=O)OC)cc2)C3=O)cc1 41504385 QULBRYBRDPDFBB-IWIPYMOSSA-N 426.468 5.620 30 10 IKEE Cc1c(OCc2cccc(F)c2)ccc2c1O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 41509597 CIHZTDKVMSAZJB-PKAZHMFMSA-N 436.482 6.996 30 10 IKEE COc1ccc(CCN/C(C)=C\N=C2\N=C(Nc3ccc(F)c(Cl)c3)S2)cc1OC 58970780 ZJPZQEIGPKALGZ-SEYXRHQNSA-N 448.951 5.061 30 10 IKEE CC(C)OC(=O)CSc1n[nH]c(N/N=C/c2ccc3ccc4cccc5ccc2c3c45)n1 59310308 ROEACJJQXWMXGI-BRJLIKDPSA-N 443.532 5.192 30 10 IKEE CC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=C\C(=O)c2ccccc2C(F)(F)F)cs1 97992978 QFLFNHBQXBXWIO-LUAWRHEFSA-N 444.478 6.359 30 10 IKEE COc1cccc(C(=O)/C=C\c2ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c2)c1 97993023 QEKOUUOOWCAIBD-ZSOIEALJSA-N 431.488 6.589 30 10 IKEE CCCCCCCC(=O)N1CCN(c2nc(C)nc(C)c2Cc2cc(C)ccc2C)CC1 98021512 HEZCYOXCUMAFGO-UHFFFAOYSA-N 436.644 5.310 30 10 IKEE CCCCCCCCCCCCCCCCNCC(=O)Nc1ccc(C(=O)OC)cc1 100055546 IDATWYJRNARKFX-UHFFFAOYSA-N 432.649 6.483 30 10 IKEE CCCCCCCOc1cccc(NCC(=O)Nc2cccc(OC[C@H]3CCCO3)c2)c1 100090094 LWQRYEOUOCQIDD-RUZDIDTESA-N 440.584 5.644 30 10 IKEE CC(C)COc1ccc(/C(CCCC/C(=N\O)c2ccc(OCC(C)C)cc2)=N\O)cc1 103880478 GAEFSJHIELENMF-ZQZMJUSDSA-N 440.584 6.373 30 10 IKEE CC(C)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N/c1ccc(SC(F)F)cc1 105758086 ILSGGCLLEHRKLD-SZTNPAGBSA-N 449.548 5.370 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C(=O)OCCCC)c2)c(C)c2cc(C(C)C)ccc21 169870270 AUHHNDMZGXYWPG-UHFFFAOYSA-N 432.564 6.468 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2Cc2cccs2)c1 169928451 FKWUVDWPGHBUHG-QFIPXVFZSA-N 433.529 5.152 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(Oc3cccc(C)c3C)cc2)NC(=S)N1 169937878 VLWPJVKJLOGSFP-XMMPIXPASA-N 428.557 5.771 30 10 IKEE COc1cccc(-c2csc(N/N=C\c3ccc(OC(C)C)c(Br)c3)n2)c1 169940401 FSZXEHXMEPGVSB-JJFYIABZSA-N 446.370 5.814 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@H]1c1ccc(O)cc1 169958996 KQOBXNPLXUBHHB-DEOSSOPVSA-N 443.499 5.109 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccc(O)cc2)ccc1F 169960969 KNOHZGUIHBREAE-QHCPKHFHSA-N 431.463 5.239 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccc(C(C)C)cc2)c1 169967764 CNPOTFZYPIDSEN-HHHXNRCGSA-N 439.555 6.220 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1cccc(C)c1 169969592 SSIMUTSIEWJXPE-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2cc(C)ccc2O)c1 169970841 WUSIIWZDJMBOAT-DEOSSOPVSA-N 427.500 5.409 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2cccs2)c1 169987774 IUSVOPHOWNEFJH-HXUWFJFHSA-N 425.456 5.426 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccccn2)c1 169991800 KLOQNLWFLSKXGK-XMMPIXPASA-N 426.516 5.605 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2c2ccccc2)c1 170036278 OQISRXJJQRNPQX-XMMPIXPASA-N 427.500 5.431 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccccc2)cc1C 170055166 GQKKANAUQZPSPY-DEOSSOPVSA-N 429.491 5.264 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccc(F)cc2)cc1 170061711 PMQORMBVEBIYCD-DEOSSOPVSA-N 429.491 5.788 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2c[nH]c3ccccc23)s1 170073853 LYYDOCFNSLKYTC-HXUWFJFHSA-N 447.491 5.163 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(F)(F)F)cc3)[C@H]2c2ccco2)c1 170095382 DNANTDVJOAHYFN-IBGZPJMESA-N 443.377 5.090 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)cc(OC)c3o2)[C@H]1c1cccc(C)c1 170147269 QSNXHLFDZYQDDY-HXUWFJFHSA-N 439.895 5.392 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@H]1c1ccc(C(C)(C)C)cc1 170149917 OKINTASWOYRMJL-XMMPIXPASA-N 447.575 5.688 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccncc1)c1cc2ccccc2o1 170203709 IPCWBMGMKSBESQ-NRFANRHFSA-N 430.847 5.264 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccc(F)cc2)cc1 170238932 NPLHNSXMOUUUPK-QHCPKHFHSA-N 431.463 5.316 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(F)cc2)ccc1OC(C)C 170241218 BTJJPISTTJRNHF-QHCPKHFHSA-N 449.478 5.293 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 170246585 BWNURMVKIVACGA-HXUWFJFHSA-N 448.346 5.769 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1c1ccccc1O 170271729 ZHCNOKQYTWQCQS-DEOSSOPVSA-N 443.499 5.271 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2ccco2)cc1Cl 170288441 KLNVKGREPBPUKK-JOCHJYFZSA-N 449.890 5.349 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(C)o2)cc1 170300850 JNOAUQZFLWRARY-VOIUYBSRSA-N 443.499 5.257 30 10 IKEE C=CCc1cc(C=Nc2ccc(C)c(C)c2)ccc1OCc1ccc(Br)cc1 254848298 HPLVLGURSHDTID-UHFFFAOYSA-N 434.377 7.124 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccc(O)c2)c1 526487258 WBFBDYSQHZJWCB-DEOSSOPVSA-N 426.472 5.110 30 10 IKEE CC(C)COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccc(O)c2)c1 526514797 DEAXWDLRORSMCJ-VWLOTQADSA-N 440.499 5.356 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(F)cc2)cc1OC 526518160 VTJCFSQKTAJAFZ-XMMPIXPASA-N 444.462 5.162 30 10 IKEE COc1cc([C@@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc(Cl)c1O 526521817 OIXUOJAUXOWUJR-JOCHJYFZSA-N 446.890 5.292 30 10 IKEE Cc1ccc(SC2=C(Nc3ccc(C)cc3C)C(=O)N(c3ccccc3C#N)C2=O)cc1 526640216 LKJLXHLGEBXMFS-UHFFFAOYSA-N 439.540 5.473 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccccc2C)cc1 526804957 BKUNEVJLVDJZTR-IMRQLAEWSA-N 426.589 5.855 30 10 IKEE Cc1cccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccc(Cl)cc2)c1 526809053 WFKCBDQVDFQKSR-PKAZHMFMSA-N 447.007 6.200 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1cn(C)c2ccccc12 526822207 HANOAPVRMRPHAY-YSMPRRRNSA-N 428.565 5.159 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1ccccc1C(=O)O 526823948 BTKIUMIBIOLOIQ-YVNNLAQVSA-N 435.336 5.020 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)NC2CCN(C(=O)Nc3cc(C)cc(C)c3)CC2)c1 585860880 YTJPYKLNOGFPRZ-UHFFFAOYSA-N 448.611 5.567 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1cc(F)c(F)c(F)c1 698455831 LVXKFFJNPPGNAJ-INIZCTEOSA-N 441.247 5.873 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@@]1(C#N)CCc2ccc(Br)cc21 698887490 JMSJFGJOMYDZMN-OAQYLSRUSA-N 431.305 5.695 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698912880 WMMCQVVPCCNRAS-MHECFPHRSA-N 435.609 5.486 30 10 IKEE CCCCCCCCCC[C@@H](NC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 705483000 TUQHQYQKVXBVEF-ICDZXHCJSA-N 448.692 6.604 30 10 IKEE CC(C)N(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(Br)c(Br)s1 710726043 OROBUQFDVYCJTK-SNVBAGLBSA-N 438.185 5.483 30 10 IKEE C=CCC1([C@H](NCCC)c2cscc2Br)CN(C(=O)OC(C)(C)C)C1 722912561 DZBTXVNCLRMHCK-MRXNPFEDSA-N 429.424 5.365 30 10 IKEE Cc1cc(/C=C2/SC(=Nc3cccc(Cl)c3)NC2=O)c(C)n1-c1ccc(F)cc1 1084499427 WQFBGJYVTLUCBF-RGVLZGJSSA-N 425.916 5.778 30 10 IKEE O=C1NC(=NN=Cc2ccco2)S/C1=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1 1772724202 JZZPOWMNBIETNF-KXUFCFNBSA-N 431.395 5.152 30 10 IKEE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNc2ccccc2)CCC3)cc1 1772750785 LQBAYKFZWHIGHA-UHFFFAOYSA-N 431.492 5.170 30 10 IKEE N#Cc1cccc(Cn2c(-c3ccncc3)nc3scc(-c4ccc(F)cc4)c3c2=O)c1 1857805085 ZYMLWQUZFRDNOU-UHFFFAOYSA-N 438.487 5.246 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccccc1OCC 1861353043 HOHTVWNIRPGBDA-QHCPKHFHSA-N 442.575 5.042 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)/C=C/c1ccc(OCC)c(OC)c1 1861581767 BSLKJJGAXUNGQG-BKELBIJQSA-N 446.632 5.259 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2ccccc2)cc1C 1862400980 QUDHPTQQRKGMPZ-RUZDIDTESA-N 441.527 5.215 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)cc1 1862446345 QCCGKVQSFROLHK-RFVSGWPVSA-N 444.358 6.150 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccs2)cc1 1862479974 UZXDPTPDCJCACI-HSZRJFAPSA-N 447.556 5.624 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(C(=O)O)cc1 1862493013 GGQISJJJNDDTAN-QFIPXVFZSA-N 435.520 5.160 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccccc2)cc1 1862543823 PMVLVFQOVMYYCR-SANMLTNESA-N 437.539 5.652 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cccc2ccccc12 1862549107 IIHHPTNSBIVRIL-WXTAPIANSA-N 439.555 6.095 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1ccc(F)cc1 1862570802 BYBNBJSAMYKXKD-JOCHJYFZSA-N 441.499 5.002 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1cccc(Cl)c1 1862592093 VFIJLRWDNBOPEY-QRQCRPRQSA-N 433.891 5.385 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1ccccc1F 1862638938 NJOIPVNYYPBKCC-NRFANRHFSA-N 429.463 5.132 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccccc2Cl)cc1 1862675020 ZWSHCZBEHPQYSX-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(OCC)cc1 1862726635 LCWQZGJIHBIOAH-VWLOTQADSA-N 439.511 5.517 30 10 IKEE N#Cc1ccc(N2C(=O)C(Nc3ccc(F)cc3)=C(c3cccc4ccccc34)C2=O)cc1 1862849533 SJEGNFAUNCSDAP-UHFFFAOYSA-N 433.442 5.247 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCOCCCC)=C(c2ccc(F)cc2)C1=O 1863508011 QHESUJOCNFVLMZ-UHFFFAOYSA-N 432.580 5.063 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)C[C@@H](c1ccc(OC)c(C)c1)C(C)C)c1ccccc1 1868718690 CNRKHCCSSAKCMD-SQHAQQRYSA-N 448.607 5.191 30 10 IKEE C=CCN(CC=C)c1cc(N2CC[C@@H](c3ccco3)C2)nc(-c2ccc(C(C)(C)C)cc2)n1 1869354794 TWSJLWAOKOHTHB-JOCHJYFZSA-N 442.607 6.206 30 10 IKEE CCCCN(CCCC)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCC(C)C 1870348086 IRTDSEJRWXLYMP-UHFFFAOYSA-N 437.628 5.747 30 10 IKEE CCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CN1CCc2ccccc2C1 1870353164 IWVQQIIXWLGLKA-UHFFFAOYSA-N 438.656 6.192 30 10 IKEE C=CCn1cc(OCc2cccc(C)c2)c(=O)cc1CNc1ccc(OCC)c(OCC)c1 1871070088 NPDFLLCPQJCIQM-UHFFFAOYSA-N 448.563 5.331 30 10 IKEE CCCCCCCCCCn1cc(OCCC)c(=O)cc1CNc1cccc(Cl)c1 1871105882 DTHLXTUVWMYXGS-UHFFFAOYSA-N 433.036 7.043 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCC)c(=O)cc1CNc1ccc(C)c(F)c1 1871148239 QOQMCVIMUJHCFE-UHFFFAOYSA-N 446.563 5.210 30 10 IKEE COc1ccc(OC)c(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2cccs2)C3=O)c1 1871380546 ULRPYTRRXKVCDG-OLVMQWSGSA-N 434.469 5.000 30 10 IKEE Cc1cc(OC(=O)c2ccc(OC(C)C)cc2)cc2c1C(=O)/C(=C/c1ccc(Cl)cc1)O2 1871388463 XITSUFOVAWVYLL-QRVIBDJDSA-N 448.902 6.271 30 10 IKEE CCCCN(CCCC)Cc1c(O)cc(C)c2c1O/C(=C\c1ccccc1OCC)C2=O 1871393467 OQXZYKRLUDKXBN-ULJHMMPZSA-N 437.580 6.118 30 10 IKEE COc1ccccc1/C=C1\Oc2c(ccc(OCCCCOc3ccccc3)c2C)C1=O 1871403640 QWCZXCGPQQOFKB-BWAHOGKJSA-N 430.500 5.858 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2)C3=O)c(Cl)c1 1871436463 ZQWONXYHQKSTMX-XKZIYDEJSA-N 433.891 5.591 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(Cl)cc2)cc2c1C(=O)/C(=C/c1ccccc1F)O2 1871440813 JEVAAIHXDPAHIR-NHDPSOOVSA-N 437.854 5.421 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1cccs1)C2=O)Nc1ccc(F)c(Cl)c1 1871441509 OLUAGWDBVPFCFN-GRSHGNNSSA-N 429.856 5.174 30 10 IKEE Cc1c(OCCN2CCCCC2)ccc2c1O/C(=C\c1ccccc1Br)C2=O 1871451091 CBWWRXVPDPCZCH-QNGOZBTKSA-N 442.353 5.238 30 10 IKEE CCCCCCCCN=c1nc(N(CCC)CCC)[nH]c(=Nc2ccc(C)c(F)c2)[nH]1 1871579836 DWESKSXWOKWFKA-UHFFFAOYSA-N 430.616 5.305 30 10 IKEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1cccs1 1871829538 HCIMPTPCVKWCRA-FQEVSTJZSA-N 434.627 5.102 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cccc(C(C)(C)C)c1)C(C)C)S(=O)(=O)c1ccccc1 1872211331 BARMQGLCDAJZBO-QHCPKHFHSA-N 442.625 5.214 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 1872252778 WVRUVRRNPHYBRQ-JOCHJYFZSA-N 449.016 5.413 30 10 IKEE N#C[C@H](C(=O)COc1cc(Cl)ccc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872762943 ALNHWOIKFLCWRA-CQSZACIVSA-N 448.287 5.280 30 10 IKEE N#C[C@@H](C(=O)CCCOc1ccc2ccccc2c1)c1nc(-c2ccc(F)cc2F)cs1 1872767056 NJJPUYOTHGCEMO-NRFANRHFSA-N 448.494 6.277 30 10 IKEE CCc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3cc(C)ccc3OC)cs2)cc1 1872771588 XMRCQHIIJAGZNL-OAQYLSRUSA-N 434.561 5.725 30 10 IKEE CC(C)(C)c1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4ccccc4)cc3)n2)cc1 1872773605 RQTDXDOPJRNXSC-DEOSSOPVSA-N 436.580 7.265 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@H](C#N)C(=O)Cc2ccccc2Cl)n1 1872784167 PEDXKBSAFJDIQA-OAHLLOKOSA-N 431.344 5.853 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)CCOc2ccccc2)n1 1872786840 UGCLUJPIQXNFLO-GOSISDBHSA-N 426.925 5.426 30 10 IKEE CC(C)c1ccc(O[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1 1872789374 HIBJKABTTPFORX-BBRMVZONSA-N 430.982 6.292 30 10 IKEE CCCCCCCCCCN1C[C@@H](C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)CC1=O 1873024331 XWBQCRAUUFKWCE-NZQKXSOJSA-N 438.616 5.216 30 10 IKEE FC(F)(F)c1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc2cc[nH]c2c1 1873500034 APRJFHPQHJQDAU-KIBLKLHPSA-N 435.862 5.606 30 10 IKEE CCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccc(O)c(OC)c1 1874244780 NVQBHJVZZRPTFP-MFKUBSTISA-N 440.613 5.136 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1c[nH]c2ccccc12 1874265252 ORHGCLQBTPCLMV-BRJLIKDPSA-N 437.956 5.542 30 10 IKEE CCCCC1CCC(c2nnc(SC)n2/N=C/c2ccc(Cl)c(Cl)c2)CC1 1874286031 LUGDBHFFWVGCSQ-YDZHTSKRSA-N 425.429 6.653 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc(OC)c2)n1/N=C/c1ccccc1Cl 1874310363 RSVNPJJNOFJJGA-ZVHZXABRSA-N 426.973 5.276 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(Cc3ccc(Cl)cc3)nnc2SCc2ccccc2)c1 1874342501 SVDKREDISYIYLS-CVKSISIWSA-N 448.979 5.711 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3C)n2/N=C/c2sccc2C)c1 1874361073 LBVUQRBTNANQQL-WGOQTCKBSA-N 446.645 6.225 30 10 IKEE Cc1ccc(CSc2nnc([C@@H](C)c3ccccc3)n2/N=C/c2ccc(F)cc2F)cc1 1874392423 LNSRQTXVTFUZBZ-UEYIPHHSSA-N 448.542 6.191 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2c(F)cccc2Cl)nnc1[C@@H]1CCCO1 1874453335 HCMHEHBUCPPCOE-OGBFJMLUSA-N 446.935 5.105 30 10 IKEE COc1cccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2[C@H]2CCCO2)c1 1874454007 YBDNMWULUXGPFG-QVHMZZSFSA-N 446.935 5.105 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C2CCC2)cc1 1874498751 PZMGATZIVWVOHO-DHRITJCHSA-N 444.963 5.911 30 10 IKEE COCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccccc1Cl 1874506233 SUEWCYUHSDXECJ-LSFURLLWSA-N 441.771 5.559 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874510887 ABQMYBBUYITRBW-FOKLQQMPSA-N 439.799 6.365 30 10 IKEE CC(C)c1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(C(=O)O)cc1 1874514784 GHKGXTQSPIBQOF-AFUMVMLFSA-N 430.533 5.427 30 10 IKEE Clc1cccc(CSc2nncn2/N=C/c2cccc(OCc3ccccc3)c2)c1 1874539902 DAWXTIZPXQXKHX-VULFUBBASA-N 434.952 5.685 30 10 IKEE CCCOc1ccccc1/C=N/n1c(S)nnc1COc1ccc(Cl)cc1Cl 1874569283 PRRXLULYBFMFDD-SSDVNMTOSA-N 437.352 5.124 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccccc2OCc2nc(O)c3ccccc3n2)cc1 1874577943 NFAXBAKGLXTTTF-DTQAZKPQSA-N 426.472 5.209 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCc3cc(C)ccc3C)ccc3ccccc23)cc1F 1874582442 OAAAKBDUIDJERZ-OUKQBFOZSA-N 440.514 7.079 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2ccccc2C)cc1F 1874582608 WUCZLPAQIWKBAA-ACCUITESSA-N 449.478 5.065 30 10 IKEE CCN(CC)C(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(OC)c(Cl)c1 1874590498 DEMCQVSSBZZASF-RMKNXTFCSA-N 436.335 5.145 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCc2c(F)cccc2Cl)c2ccccc12 1874591882 GWQUIAZATMSWAD-FYWRMAATSA-N 446.905 7.116 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1OCc1ccccc1C 1874594960 MLLGEIXRIVJVTG-ZRDIBKRKSA-N 437.333 6.241 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OCC(=O)N[C@H](C)c1ccccc1 1874595987 DJAQJYMNTWWYRY-QGFLDLQWSA-N 443.543 5.464 30 10 IKEE CCCNC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccccc2Cl)cc1OCC 1874609022 TYSYWBWUXSKCTQ-MDZDMXLPSA-N 436.335 5.193 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2[N+](=O)[O-])cc1 1874618051 HRCXFLUNSFDBDE-XYOKQWHBSA-N 444.487 5.434 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3)c(Br)c2)cc1 1874624047 JDXIIBQHHYJEMK-RIYZIHGNSA-N 435.361 7.048 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Cl)c1OCc1ccccc1 1874627085 BMQYZZRDSNKJQS-DHZHZOJOSA-N 428.862 6.492 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc(OC)c1OCc1ccccc1 1874629719 QMBZFHWZBFGSAC-VAWYXSNFSA-N 432.516 5.804 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3ccc(OC)cc3)c2)cc1 1874696227 NSOHXACMNKQRNG-WOJGMQOQSA-N 444.527 5.918 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OC(=O)c1ccccc1[N+](=O)[O-] 1874701895 CNPLRTCBASRWBG-FMIVXFBMSA-N 431.444 5.336 30 10 IKEE CCCC(=O)Oc1cc(/C=C/C(=O)c2ccc(C)cc2C)c(Br)cc1OC 1874701923 DHQQEVSCEIPEEM-CSKARUKUSA-N 431.326 5.676 30 10 IKEE Cc1cccc(C)c1OCCCC(=O)Oc1cccc(/C=C/C(=O)c2ccc(F)cc2)c1 1874708400 BARCIKBDIMVRPW-LFIBNONCSA-N 432.491 6.103 30 10 IKEE CCCCC(=O)Oc1cc(/C=C/C(=O)c2ccc(F)cc2)c(Br)cc1OC 1874709539 GNMSPGZPKRPQDO-DHZHZOJOSA-N 435.289 5.589 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cccc(F)c3)c2)c(OCC)c1 1874714554 BUMPYSMXLCSTBS-SDNWHVSQSA-N 434.463 5.738 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(-c3ccccc3)cc2)cc1)c1cccc([N+](=O)[O-])c1 1875085294 YNOUNPGGNJYALG-WOJGMQOQSA-N 449.462 6.377 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3cccc(C)c3C)c(Cl)c2)cc1 1875099881 DAOFMVRGJJZCGG-GXDHUFHOSA-N 448.946 6.400 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)c1ccncc1 1875122542 FICGYGBWXOXJLC-FARCUNLSSA-N 428.271 5.512 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)c1ccncc1 1875124439 KVRWIERPPVOBIG-VOTSOKGWSA-N 442.298 5.902 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)c1ccc(C(F)(F)F)cc1 1875128492 GUFPNHVSUMVKGA-RIYZIHGNSA-N 440.417 6.219 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccc(CC)cc3)cc2)cc1 1875129744 RCJXEICOAIQHHD-YBFXNURJSA-N 428.528 6.082 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)c1cnc(C)cn1 1875159960 SYADNKUIVDZOGF-RUDMXATFSA-N 440.858 5.092 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)CC(C)(C)C)c(Cl)c2)cc1C(C)C 1875162847 NWRFNFSXEWEXLS-CSKARUKUSA-N 442.983 7.018 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(Cl)ccc3Cl)cc2)cc1C 1875191355 IORXZYFKNMKHII-WUXMJOGZSA-N 425.311 6.726 30 10 IKEE O=C(C=C1CCOCC1)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875650321 GRTUPDBVDAGJPJ-NDEPHWFRSA-N 444.527 5.184 30 10 IKEE C=C(COCc1ccccc1)C(=O)[C@@H](O)c1ccc(-c2ccc(Br)cc2)o1 1922097414 APCGYJCNELOIBS-QFIPXVFZSA-N 427.294 5.085 30 10 IKEE C=CCC1([C@H](NCC)c2scc(Br)c2C)CN(C(=O)OC(C)(C)C)C1 1923039068 QAVKPXHVRFAUNI-MRXNPFEDSA-N 429.424 5.283 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](CSCCC)NC(=O)OC(C)(C)C 1975728424 KLSXNPDBVUHOKZ-YADHBBJMSA-N 436.662 5.164 30 10 IKEE C=CCCCCCCCC[C@@H](O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2026314835 VVNZMWMEUZJKCQ-DNQXCXABSA-N 432.649 5.679 30 10 IKEE CCCCCCCCCC[C@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NC 2035468817 VOZHMKMFTWMSFD-JWQCQUIFSA-N 448.692 6.605 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@@]1(C#N)CN(Cc2ccccc2)C2(CCC2)C1 2037915825 ZGNJZGUCZMZKEP-SANMLTNESA-N 435.543 5.658 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CN(C(=O)OC(C)(C)C)C3(CCC3)C2)c1 2038092984 WKZAAZMVNYTELH-VWLOTQADSA-N 441.572 5.562 30 10 IKEE N#CCCN(Cc1ccco1)C(=O)C=Cc1cn(Cc2ccccc2)nc1-c1ccccc1 2041184511 AOOFRMRPQAWUIK-UHFFFAOYSA-N 436.515 5.147 30 10 IKEE CC[C@H](C)N(Cc1ccccc1)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1C(F)(F)F 2052613147 BSMPAGRNNFIYFB-INIZCTEOSA-N 434.311 5.205 30 10 IKEE O=C(C=Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1cc(Cl)ccc1Cl 2053611938 UPEHYTOWTMODBR-UHFFFAOYSA-N 432.234 6.729 30 10 IKEE Fc1ccc(Cn2nc(C3CC3)c(Br)c2C(F)(F)F)cc1C(F)(F)F 2079022556 IARVCRVGPAGZBO-UHFFFAOYSA-N 431.149 5.748 30 10 IKEE Cc1ccc([C@@H](C2CC2)n2nc(C3CCC3)c(/C=N/O)c2I)cc1C 2079141019 WKOWOTGRRJBLLN-AZHVYHFMSA-N 449.336 5.180 30 10 IKEE Cc1ccc([C@@H](C2CC2)n2nc(C(C)C)c(C#N)c2I)c(F)c1F 2079876752 NZCIBUNIWWMHJN-QGZVFWFLSA-N 441.263 5.069 30 10 IKEE COC(=O)c1c(C(F)(F)F)nn2c(Cl)cc(-c3cc(F)ccc3C(F)(F)F)nc12 2081199287 NVLRNXLBEZQHPU-UHFFFAOYSA-N 441.690 5.013 30 10 IKEE C=CCCCCCCCCC[C@@H](N)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2086263163 DWAPZJVCKVCBCM-RUZDIDTESA-N 445.692 6.038 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@@]1(C#N)CN(Cc2ccccc2)[C@]2(CCCOC2)C1 2100055812 PTUBAXJNHJGWSP-SXOMAYOGSA-N 447.579 5.146 30 10 IKEE C=CCN(C[C@H](NCCC)c1cc(F)c(Br)c(F)c1)C(=O)OC(C)(C)C 2142158371 UBWDYYADTPDTIV-INIZCTEOSA-N 433.337 5.191 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](O)c1sc(C)c(C)c1Br 2229249971 HJPYRJIKACWCBC-UXHICEINSA-N 438.431 5.302 30 10 IKEE CCCC#C[C@H](NCCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237418911 VFKBXTPGUFJWJQ-PMACEKPBSA-N 437.422 5.057 30 10 IKEE CCCCCCCC[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2240622049 PCJBZDSWFKCQBH-QFIPXVFZSA-N 437.422 7.223 30 10 IKEE C=CCCC1([C@@H](N)c2cc(Cl)cc(Br)c2)CN(C(=O)OC(C)(C)C)C1 2255000847 GTMUQXAKCSSZJW-INIZCTEOSA-N 429.786 5.306 30 10 IKEE CC(C)(C)C#CC=CC[C@@H](N)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2268747650 JYEBPOXIKNXUQJ-HHHXNRCGSA-N 439.599 6.840 30 10 IKEE C=CCCC1([C@H](NC)c2c(F)ccc(F)c2Br)CN(C(=O)OC(C)(C)C)C1 2281032123 HQHSHJGTLHSLOD-QGZVFWFLSA-N 445.348 5.191 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(F)cc(Br)c1F 2288354816 OFQOAWNRZPJECB-FUHWJXTLSA-N 445.348 5.075 30 10 IKEE CCC[C@@]1([C@H](O)C#Cc2cccc(Br)c2)CCCCN1C(=O)OC(C)(C)C 2296223538 AWCIOSOIFWKNRT-KNQAVFIVSA-N 436.390 5.121 30 10 IKEE CC(C)(C)OC(=O)N(CC(=O)C#Cc1cccc(Br)c1)CC1CCCCC1 2296232302 MIERGQDOXSAPOR-UHFFFAOYSA-N 434.374 5.187 30 10 IKEE CN[C@H](C#Cc1cccc(Br)c1)c1cc(NC(=O)OC(C)(C)C)ccc1F 2296289909 WZKKYSHEQGUTST-LJQANCHMSA-N 433.321 5.247 30 10 IKEE C#CCN1C(=O)SC(=Cc2cc(C)n(-c3ccc(Br)c(Cl)c3)c2C)C1=O 2297349718 POQHQOCAQWRJPI-UHFFFAOYSA-N 449.757 5.180 30 10 IKEE COc1ccc(O)c(C=Nc2cccc3c(N=Cc4cc(OC)ccc4O)cccc23)c1 2297710309 OYODQKJELBTVFE-UHFFFAOYSA-N 426.472 5.769 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H]1C[C@@H]2CC[C@H]1CN(C(=O)OC(C)(C)C)C2 2298032895 DLLXNLKHUQZJGN-XQUALCHDSA-N 428.617 5.021 30 10 IKEE COc1cc(C=C2SC(=Nc3cccnc3Cl)N(C3CCCCC3)C2=O)ccc1O 2314540658 VMXWSYNTLWYRSG-UHFFFAOYSA-N 443.956 5.386 30 10 IKEE CCN1C(=O)C(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=Nc1ccccn1 2314541548 NSKRMJINOBNDSP-UHFFFAOYSA-N 444.343 6.272 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)SC1=Nc1cccnc1 2314542672 XPGVUFLOYGGJTG-UHFFFAOYSA-N 446.488 5.348 30 10 IKEE CCCCCOc1ccc(C=NNc2oc([C@H]3C[C@H]3c3ccccc3)nc2C#N)cc1OC 2320837065 JFXKWLZLXMVNFS-SFTDATJTSA-N 444.535 5.841 30 10 IKEE CC(C)c1ccc(C=C2Oc3c(ccc4c3CN(Cc3ccc(F)cc3)CO4)C2=O)cc1 2322051964 NREVTHWHYLYQON-UHFFFAOYSA-N 429.491 5.917 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc4c3CN(Cc3cccc(Cl)c3)CO4)C2=O)cc1 2322211046 OUAKFAZMXZVTJN-UHFFFAOYSA-N 447.918 5.707 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1 2322391671 OSOYISBWJUSSAY-UHFFFAOYSA-N 438.542 7.797 30 10 IKEE COc1ccccc1C(=O)C=Cc1c(OCc2cccc3ccccc23)ccc2ccccc12 2322479039 ZHJYAWPZBVJUOL-UHFFFAOYSA-N 444.530 7.477 30 10 IKEE COc1cccc(C=CC(=O)c2ccc3c(c2)OCCO3)c1OCc1ccc(Cl)cc1 2322681009 SAMRVKYATDNCBV-UHFFFAOYSA-N 436.891 5.595 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4ccccc4Br)cc(C)c3C2=O)o1 2322714837 XDNFCMQBCFQYHL-UHFFFAOYSA-N 439.261 5.494 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Br)ccc2OCCCO)c2ccccc12 2323009504 DNNRHGMCLFAPEA-UHFFFAOYSA-N 441.321 5.268 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3cc(C)ccc3C)c2)cc1F 2323202235 VAYDWSUSOBVORM-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(OC)cc3)cc2Cl)o1 2323628301 QIFLPBPFNSTMMN-UHFFFAOYSA-N 440.879 5.593 30 10 IKEE COc1cc(C=NNc2nc(-c3cccs3)c(C)s2)cc([N+](=O)[O-])c1OC(C)C 2323864647 BOEPDRZWTSHLRO-UHFFFAOYSA-N 432.527 5.330 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(O)c3CN3CCCc4ccccc43)C2=O)cc1 2324023677 XUGYIZOJRHBTFI-UHFFFAOYSA-N 427.500 5.360 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)cc(OC)c1OCc1ccccc1C 2324035473 GVSVPPCLKMBNSF-UHFFFAOYSA-N 446.499 5.259 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1cc(C)ccc1C 2324074796 VUVNYOVXSCZOKX-UHFFFAOYSA-N 442.599 7.475 30 10 IKEE CCCN(CCC)Cc1c(O)cc(C)c2c1OC(=Cc1ccc(Cl)cc1Cl)C2=O 2324097352 GJWPBRAWKVHXIW-UHFFFAOYSA-N 434.363 6.246 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1F 2324124301 RYHDVDOWQJMWPK-UHFFFAOYSA-N 437.423 5.226 30 10 IKEE C=CCOc1c(Cl)cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1OCC 2324283605 WMXOOJKRAIHXNS-UHFFFAOYSA-N 434.919 6.992 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OCc3ccc(C)cc3)c(OC)c2)c(OC)c1 2324471057 NOTFLMPHLIMWST-UHFFFAOYSA-N 448.515 5.505 30 10 IKEE COc1ccccc1C=C1Oc2cc(O[C@H](C)C(=O)Nc3cccc(C)c3C)ccc2C1=O 2324498464 BIKUVGCPTHYLIQ-GOSISDBHSA-N 443.499 5.334 30 10 IKEE CCCOC(=O)COc1ccc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc1Cl 2324510616 BSLXTDQGESQAQH-UHFFFAOYSA-N 437.319 5.539 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1C 2324649291 VUVZIRLHYURNIF-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE Cc1cc(OCCOc2ccc(C(C)(C)C)cc2)cc2c1C(=O)C(=Cc1ccc(F)cc1)O2 2324688256 KLIJUZVILGIDIR-UHFFFAOYSA-N 446.518 6.506 30 10 IKEE Cc1c(OCc2c(Cl)ccc(Cl)c2Cl)ccc2c1OC(=Cc1ccco1)C2=O 2325169607 FTELJIMHJVBWMW-UHFFFAOYSA-N 435.690 6.743 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(C(C)C)cc2)ccc2c1OC(=Cc1ccccc1)C2=O 2325318680 YBCOZXPSMWNXGU-UHFFFAOYSA-N 427.500 5.752 30 10 IKEE C=CCOc1ccccc1C=Nn1c(COc2ccccc2Cl)nnc1SCCC 2325424589 DRUPTJKOJILGJY-UHFFFAOYSA-N 442.972 5.460 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc(OCCC(=O)Nc3ccccc3)c2C)C1=O 2325480116 BBRDMTZOTGHRLK-UHFFFAOYSA-N 429.472 5.027 30 10 IKEE CCc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2cccc(Cl)c2)cc1 2325494494 JJHZTUMAMSFZLC-UHFFFAOYSA-N 447.007 6.259 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cccc([N+](=O)[O-])c1 2325532364 CDPDRUFJYIFLKL-UHFFFAOYSA-N 429.933 5.357 30 10 IKEE CCCCCOc1ccc(C=Nn2cnnc2SCc2ccc(F)cc2)cc1OC 2325648655 XTLVOLPQGVDKFW-UHFFFAOYSA-N 428.533 5.169 30 10 IKEE COc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)Cc1ccc(C)c(C)c1 2325669658 CDPAINUBQDEYFP-UHFFFAOYSA-N 445.471 5.264 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1cccc(C=CC(=O)c2ccc3ccccc3c2)c1 2325700162 DWZMVWMEPDDESK-UHFFFAOYSA-N 438.479 5.972 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccccc3C)cc(C)c2C1=O 2325714627 PVFXNYFGMXXUNY-UHFFFAOYSA-N 443.499 5.336 30 10 IKEE CCCCC(=O)Oc1cc(C=CC(=O)c2ccc(OC)cc2)c(Br)cc1OC 2325718975 CJDHAXJJVLKLLA-UHFFFAOYSA-N 447.325 5.458 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OC(=O)CSc1ccccc1 2325740121 CAJQGEFLZXFCMZ-UHFFFAOYSA-N 432.541 5.906 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1OC(=O)c1ccc(F)c(F)c1 2325753294 XJYKEWICUNHUJP-UHFFFAOYSA-N 430.353 5.367 30 10 IKEE CSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1c(F)cccc1Cl 2325901848 HMVRLMVGKGGIKU-UHFFFAOYSA-N 446.979 5.860 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1ccc(F)cc1 2325910035 WJJUSBBVGZFXMS-UHFFFAOYSA-N 437.327 5.463 30 10 IKEE C=CCSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1ccc(CC)cc1 2326398384 OZZXNPSRGPIXFF-UHFFFAOYSA-N 434.609 5.629 30 10 IKEE COc1cc(C=Nn2c(C)nnc2SCc2ccccc2Cl)cc(Cl)c1OC 2326541037 BEEWEXQRDLVZKR-UHFFFAOYSA-N 437.352 5.085 30 10 IKEE CCCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1cccc(OC)c1O 2327771933 IZPRMUAZNQWCET-UHFFFAOYSA-N 432.549 5.121 30 10 IKEE C=CCSc1nnc(CCc2ccccc2OC)n1N=Cc1ccc(OCCC)cc1 2328698149 GJOXDXPWNLDXRA-UHFFFAOYSA-N 436.581 5.021 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(F)c3)n2N=Cc2cccnc2)cc1C 2329405599 ZBWMMVQGEFEESA-UHFFFAOYSA-N 431.540 5.194 30 10 IKEE Fc1ccc(CSc2nnc(-c3ccccc3Cl)n2N=Cc2cccs2)cc1 2329539862 LZHBYCSUDYYPMM-UHFFFAOYSA-N 428.945 5.974 30 10 IKEE COc1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2-c2ccccc2Cl)cc1 2329550948 GKOHFMXWGWHXKT-UHFFFAOYSA-N 448.979 6.090 30 10 IKEE Oc1cccc(C=Nn2c(CCc3cccs3)nnc2SCc2cccc(F)c2)c1 2329645145 DZZFUUDJIIXDMU-UHFFFAOYSA-N 438.553 5.144 30 10 IKEE Cc1cccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2[C@@H](C)c2ccccc2)c1 2330108857 FDUXERROVLQLLL-QFIPXVFZSA-N 440.616 6.530 30 10 IKEE CCCOc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCC)cc1OCC 2330186314 JOIALXYGVCFUSN-UHFFFAOYSA-N 438.597 5.245 30 10 IKEE Cc1ccc(O)c(C=Nn2c(CC3CCCCC3)nnc2SCc2cc(C)ccc2C)c1 2330272581 SSOODNDJWFGXRV-UHFFFAOYSA-N 448.636 6.206 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1 2330596567 KQRUDQRWCUWAKQ-UHFFFAOYSA-N 440.583 7.906 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccccc2)n1N=Cc1ccccc1C(=O)O 2330635046 VXBXSJBLCKZDEU-UHFFFAOYSA-N 428.517 5.126 30 10 IKEE Cc1cccc(C=Nn2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2C2CCCC2)c1 2331030117 UZNRPXQAYIQHEZ-UHFFFAOYSA-N 447.608 5.474 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2)c1 2331141313 PBBCMMRSVVOCGM-UHFFFAOYSA-N 434.919 6.309 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc(Cl)c1OC(=O)C(C)(C)C 2331237756 AYDRNEGUJQYIDR-UHFFFAOYSA-N 441.738 6.503 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccccc3CC)cc2)cc1 2331295649 NACODXMSAKSIFJ-UHFFFAOYSA-N 444.527 5.918 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(OCC)c(OC(=O)C(C)C)c([N+](=O)[O-])c2)cc1 2331307154 MDLIFMXNAGMXPN-UHFFFAOYSA-N 441.480 5.240 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cccs3)c([N+](=O)[O-])c2)cc1 2331417019 SDHYVEPTLVXFCA-UHFFFAOYSA-N 449.528 5.998 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2cc(C)ccc2C)nnc1C1CCC1 2331523229 JKDWHOBOSIZZLG-UHFFFAOYSA-N 432.593 5.902 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCC(=O)NC3CCCCC3)nnc2C2CCC2)cc1 2331530215 JTYJJWHRJCRARC-UHFFFAOYSA-N 439.629 5.092 30 10 IKEE O=C(CCOc1ccccc1)Oc1ccc(C=CC(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 2331530242 LXDGKTXFEVOOTC-UHFFFAOYSA-N 435.407 5.005 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(Br)cc1 2331706977 XYHBJIAFGAQSHS-UHFFFAOYSA-N 449.805 5.992 30 10 IKEE CCCN[C@@H](C#C[C@@H]1CC1(C)C)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2365096064 MIJVXBRRSPUDAA-APWZRJJASA-N 435.406 5.886 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CCC(=O)C#Cc2ccc(Br)cc2)C1(C)C 2370410605 FBGBCRSWMIMFHA-VQIMIIECSA-N 434.374 5.089 30 10 IKEE CC1(C)OB(c2ccc(COc3cc(F)cc(Cl)c3)cc2Br)OC1(C)C 2377305310 TXVUFBBZSAAXDG-UHFFFAOYSA-N 441.533 5.120 30 10 IKEE Cc1cc(Br)cc(C)c1OCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 1930446 CQKXKWRHXMCSBY-LLVKDONJSA-N 433.371 5.141 30 10 IKEE CCCCCOc1ccccc1C(=O)NC(=S)Nc1sc2c(c1C#N)CCCC2 14035918 GVMMLXVXSIHPRE-UHFFFAOYSA-N 427.595 5.194 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(Cl)cc2)cc1 21237102 ZHJPVXQYEUOLPO-PPHZAIPVSA-N 444.962 6.718 30 10 IKEE COc1cc(/C=C\C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccccc1 33378131 CROBBNXGNDZQNX-OWBHPGMISA-N 444.556 5.738 30 10 IKEE O=S(=O)(C/C(=N/OCc1ccc(Cl)cc1)c1ccccc1)c1ccc(Cl)cc1 33423428 GUOAPEHHBZMISF-FLFQWRMESA-N 434.344 5.388 30 10 IKEE O=C(/C=C/c1ccccc1)Oc1cccc(/C=C\C(=O)c2ccc(-c3ccccc3)cc2)c1 34954133 FDBCHIAXIKDIOM-TVGQLCNQSA-N 430.503 6.869 30 10 IKEE Cc1ccc([C@@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)c(C)c1 35268917 KNQJMCSHVHVPRN-ZONZVBGPSA-N 429.523 5.588 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccco2)cc1 35301357 VDJWEKQMNPQASL-HSZRJFAPSA-N 431.488 5.074 30 10 IKEE C=CCc1ccccc1OCc1nc2ccccc2n1CCCOc1ccc(Cl)c(C)c1 39907112 PATFVALGBWHNCI-UHFFFAOYSA-N 446.978 6.775 30 10 IKEE COc1cccc2cc(C(=O)Oc3ccc4c(c3)O/C(=C\c3cccc(C)c3)C4=O)oc12 41354171 IVBVXPWGHSHHPG-UUYOSTAYSA-N 426.424 5.585 30 10 IKEE COc1ccc(CN2COc3c(cc4c(c3C)O/C(=C\c3cccc(F)c3)C4=O)C2)cc1 41587698 SNTGUKFZUZJPOY-KSEXSDGBSA-N 431.463 5.111 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN([C@@H](C)c1ccccc1)C3 41646423 KCJICCJJKFFWRL-QETRNLNESA-N 441.527 5.923 30 10 IKEE CCCCCCCOc1cccc(NCC(=O)Nc2cccc(OCCOCC)c2)c1 100090073 YMOCFEFOLYAQNH-UHFFFAOYSA-N 428.573 5.502 30 10 IKEE CCCCCCCCn1c(CNC(=O)COc2ccc(Cl)cc2)nc2ccccc21 102126420 DQRDLKIBGSQVRT-UHFFFAOYSA-N 427.976 5.745 30 10 IKEE Cc1cc(C)c2nc(N3C(=O)C(=O)/C(=C(\O)c4ccc(C)o4)[C@H]3c3ccccc3)sc2c1 103112361 JXSVYLLCVNFEBG-DQVIVYRFSA-N 444.512 5.441 30 10 IKEE CCCCCOc1ccc(/C=C2/CC/C(=C/c3ccc(OCCCCC)cc3)C2=O)cc1 104376425 LQPOYLDVQBSJKO-ORFRIDJFSA-N 432.604 7.655 30 10 IKEE C=CCn1c(C(=O)Nc2cc(S(=O)(=O)CC)ccc2O)c(C)c2cc(C(C)C)ccc21 169870197 QNIDDEBMVINYNY-UHFFFAOYSA-N 440.565 5.011 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/Nc2ccc(C)cc2)cc1Br 169877591 LLSMQDVOCAWBFA-XIEYBQDHSA-N 431.418 7.333 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@H](c2ccccc2OCc2ccc(C)cc2)NC(=S)N1C 169935160 DORZTRKPQTVODB-VWLOTQADSA-N 442.584 5.592 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1cccc(C)c1 169971113 ZVIYGCOPGOTHDG-JOCHJYFZSA-N 435.426 5.065 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)(C)C)cc2)[C@@H]1c1cccnc1 170003099 SCQPZJVVVYMEQC-HSZRJFAPSA-N 442.515 5.171 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@H]2c2cccnc2)cc1 170003590 OQMWASIXHNXXKW-QHCPKHFHSA-N 442.515 5.171 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2C2CCCCC2)c1 170039272 NDCUAQCXMGFGLC-XMMPIXPASA-N 445.515 5.743 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2Cc2ccncc2)cc1 170068252 AIYNHIHPKOFXRL-AREMUKBSSA-N 440.543 5.303 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2CCOC(C)C)c1 170139917 QDAVDPKCUCSJDC-XMMPIXPASA-N 449.591 5.604 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(Cl)c3C)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170140888 APLDRLKLTJLGCU-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C[C@H]2CCCO2)c1 170143420 ZAYIHYAWYJGCJG-OXQOHEQNSA-N 446.330 5.059 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2OC)[C@H]1c1ccc(OCCC)cc1 170215400 VYHZSHNUIODFGU-HSZRJFAPSA-N 437.536 5.171 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 170223107 JKKAPFUMKIGPEK-HXUWFJFHSA-N 425.818 5.401 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccccc2)cc1OC 170225131 GFVYKOKFYMZZEP-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@H]1c1ccc(F)cc1 170243855 XRPRLPRQIPIFMB-JOCHJYFZSA-N 425.500 5.383 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccccc1F)c1cccc(Cl)c1 170247854 TUKCHNGFXQSMRN-HXUWFJFHSA-N 425.818 5.401 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)c(Cl)c2)[C@@H]1c1ccccc1C 170276692 LMFZXBMQCXNDOC-IBGZPJMESA-N 448.346 5.689 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccco2)cc1C 170290228 RDAYEQWZVUATKH-HSZRJFAPSA-N 431.488 5.468 30 10 IKEE O=[N+]([O-])c1ccccc1/C=C/C=Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1 252601043 DXECUDDQLCOJBO-MKMQZVESSA-N 438.270 7.126 30 10 IKEE CCOc1cc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccc(F)c2)ccc1OC 526487060 UFPCJCJWWYURLQ-DEOSSOPVSA-N 444.462 5.162 30 10 IKEE Cc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccc(Cl)c2Cl)cc1 526492319 XCRNPSNOXKITQU-QFIPXVFZSA-N 435.310 6.231 30 10 IKEE COc1cc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2ccccc2C#N)ccc1OC(C)C 526606209 IYDWDPFUZDOLCI-HSZRJFAPSA-N 446.528 5.473 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2cccs2)[C@@H]1c1cccc(C(F)(F)F)c1 526606227 JQUMVDCWERKOCW-IBGZPJMESA-N 426.419 5.696 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1ccc(O)c(Cl)c1 526813727 CLNBZGQWAYGCIS-AFPJDJCSSA-N 441.771 5.681 30 10 IKEE C=CCN(C[C@@H](NCCC)c1ccc(Br)c(F)c1F)C(=O)OC(C)(C)C 689646182 NIWKAYQZSSELDK-OAHLLOKOSA-N 433.337 5.191 30 10 IKEE C[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)CCN1C(=O)OC(C)(C)C 698850450 JPHNDEQANMOYGN-HJPURHCSSA-N 449.979 5.763 30 10 IKEE N#Cc1ccc(C=Nc2ccc3cc4ccc(N=Cc5ccc(C#N)cc5)cc4nc3c2)cc1 1084122039 NTTYZKOXKJAEGA-UHFFFAOYSA-N 435.490 6.633 30 10 IKEE CC(CC(C)C)=NNc1nc(SCCC(=O)Nc2ccc(Cl)cc2Cl)n[nH]1 1084447860 NMOKRGLZLUTSNA-UHFFFAOYSA-N 429.377 5.066 30 10 IKEE Cc1ccccc1NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 1084620053 CXQLKMSMHMLTOH-UHFFFAOYSA-N 434.337 5.163 30 10 IKEE Cc1cccc(CON=Cc2c(-c3ccc(Cl)cc3)nc3sc4c(n23)CCCC4)c1 1848353008 WHSXIYYTOJLSJB-UHFFFAOYSA-N 435.980 6.454 30 10 IKEE N#CCc1ccnc(-c2cccc(OC(F)(F)F)c2)c1-c1cccc(OC(F)(F)F)c1 1848362002 WFJQTVFALCRYKY-UHFFFAOYSA-N 438.327 6.279 30 10 IKEE C=CCNC(=O)Oc1cccc2c(NC(=O)/C=C/c3ccc(Cl)cc3Cl)cccc12 1858940496 VKNNHRUJIDSSOB-ZRDIBKRKSA-N 441.314 6.073 30 10 IKEE N#Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)n(-c3ccccn3)n2)cc1 1859389758 RNSYGIBHONDXKR-UHFFFAOYSA-N 434.286 5.365 30 10 IKEE CCOC(=O)c1sc(NC(=O)c2c(C)c(CC)nc3c(Cl)cccc23)c(C#N)c1C 1859643641 PKRQIFCLLGHIEZ-UHFFFAOYSA-N 441.940 5.430 30 10 IKEE C[C@H]1CCCC[C@H]1N(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(F)c1 1859946790 FZERCVDEACJGAC-ORAYPTAESA-N 447.394 7.089 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)[C@H](C)Oc1ccccc1C(C)C 1861653623 MQATVGMWJWVANK-GMAHTHKFSA-N 432.649 5.729 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCC)NC(=O)CCCOc1ccc(Cl)cc1 1861712834 VYDZKSRDUODTPZ-NRFANRHFSA-N 425.013 5.261 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccccc2C)c1 1862441684 BUYDBIQNYOISKM-XMMPIXPASA-N 445.946 6.044 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1Cl)c1ccc2c(c1)CCCC2 1862546163 RDKJQWNFVQWDAW-XMMPIXPASA-N 449.978 6.130 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C(C)C)c1 1862583018 RCASONZWUZGJML-IBGZPJMESA-N 434.319 5.379 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@@H]1c1cccc(Cl)c1)c1cccc(O)c1 1862592000 SUOOMECIIFHCJG-HSZRJFAPSA-N 447.918 5.257 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(C(F)(F)F)cc1 1862655676 NEDVAHLUMFEMGH-NRFANRHFSA-N 439.433 5.845 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862676677 ONPQSKSLCAOVKU-QRQCRPRQSA-N 446.434 5.073 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(O)c(OC)c1 1862717329 ARTRZBDYUQQNFV-XMMPIXPASA-N 445.515 5.323 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862721974 UOZFDYZLCXRUTF-NRFANRHFSA-N 440.326 6.133 30 10 IKEE CCc1ccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862798793 QKOZDQONCBWGTL-UHFFFAOYSA-N 427.891 5.171 30 10 IKEE Cc1cccc(NC2=C(c3ccccc3Cl)C(=O)N(c3cccc(C#N)c3)C2=O)c1C 1863076359 KBCXAAAHQXCDPF-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE Cc1cc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1F 1863088716 MTAXLKNQYJRLMW-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(OCc3ccccc3)cc2)=C(c2ccc(C)c(C)c2)C1=O 1863249976 IMEBIRVSHAZIOZ-UHFFFAOYSA-N 438.527 5.260 30 10 IKEE C=CCN1C(=O)C(Nc2cccc3c(O)cccc23)=C(c2cc(Cl)ccc2Cl)C1=O 1863388200 IIFYSXTYQLQDRT-UHFFFAOYSA-N 439.298 5.230 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2Sc2ccccc2)=C(c2ccc(F)c(C)c2)C1=O 1863461130 UTHQXLVJDLWYMN-UHFFFAOYSA-N 444.531 5.663 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2F)C(=O)N(Cc2ccccc2OC)C1=O 1863640499 WCNNPATZECJQSG-UHFFFAOYSA-N 438.543 5.065 30 10 IKEE C/C(=C\c1cccc(Cl)c1)C(=O)N[C@H](C(=O)Nc1ccc(C#N)cc1)c1ccccc1 1866819377 KJBBDQQKCCUGDH-IOUNIBQOSA-N 429.907 5.111 30 10 IKEE CCCc1nc(Nc2ccc(C#N)cc2)cc(N2C[C@H](CC)Cc3cc(OC)ccc32)n1 1868400765 DJBRUBFYOJBEKQ-GOSISDBHSA-N 427.552 5.773 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)n(-c2ccc(C)cc2)n1 1870001705 PWYDNZBEDARFED-RTWAWAEBSA-N 447.970 5.150 30 10 IKEE CC(C)c1ccccc1-n1nnc(C#N)c1NC(=O)[C@@H](Cc1ccccc1)c1ccccc1 1870148121 WHODOTAGUYFEQF-QHCPKHFHSA-N 435.531 5.227 30 10 IKEE CCCCCCCOc1cn(CCCCCCO)c(CN2C[C@H](C)C[C@@H](C)C2)cc1=O 1870416968 XKXOGZHWQZRUHE-DHIUTWEWSA-N 434.665 5.228 30 10 IKEE CCCCCCCCn1cc(OCc2c(C)noc2C)c(=O)cc1CN(CC)CCCC 1870565308 DBZVIFUYCDIMAZ-UHFFFAOYSA-N 445.648 6.015 30 10 IKEE CCCCCCCCCCn1cc(OCCC)c(=O)cc1CN(CCCC)CCCC 1870658137 YHQZJAKKSBDRIK-UHFFFAOYSA-N 434.709 7.180 30 10 IKEE CCCCOCCCN1COc2c(cc3c(c2C)O/C(=C\c2cccc(Cl)c2)C3=O)C1 1871355452 ACQNNMFQVJERCF-XKZIYDEJSA-N 441.955 5.623 30 10 IKEE CCN(CCc1ccncc1)Cc1c(O)cc(C)c2c1O/C(=C\c1ccccc1C)C2=O 1871394205 KHZPSRBIIUJZGB-JLPGSUDCSA-N 428.532 5.085 30 10 IKEE CCN(CCc1ccncc1)Cc1c(O)cc(C)c2c1O/C(=C\c1cccc(Cl)c1)C2=O 1871394268 NUJLZNWPBRCQTF-HAHDFKILSA-N 448.950 5.430 30 10 IKEE Cc1cc(OCCOc2ccccc2)cc2c1C(=O)/C(=C/c1c(Cl)cccc1Cl)O2 1871396971 AKCHNBYUFQGGEP-HMAPJEAMSA-N 441.310 6.376 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccccc4C)ccc3C2=O)cc1 1871404530 MFHAYVPVNPVEIZ-SDPDQUOZSA-N 443.499 5.416 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccc(C)cc4C)c3C)C2=O)c1 1871418933 VEKDIGHLLKDYFE-OYKKKHCWSA-N 427.500 5.554 30 10 IKEE CC[C@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1cc(Br)cc3c1OCOC3)C2=O 1871420732 BCLOKDYZQQRUOC-YPPWBJDHSA-N 445.309 5.418 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccc(C)cc4)c3C)C2=O)cc1 1871454707 SOQFDJAFJQUIOF-IWIPYMOSSA-N 427.500 5.500 30 10 IKEE CCOc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 1872759480 PVKXNCZEJVDZJC-DEOSSOPVSA-N 438.552 6.295 30 10 IKEE Cc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 1872772132 ADNZKKNRQZHTSO-JOCHJYFZSA-N 432.589 6.452 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(Cl)c(Cl)c3)n2)cc1F 1872775393 PHYOYCCQHNKRAU-BOTMBNHJSA-N 447.318 6.154 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC2CCCC2)=C(c2c(C)cc(C)cc2C)C1=O 1873117672 QYEYRXYEPPNSKB-UHFFFAOYSA-N 438.656 6.365 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)cc2)cc2c(N(CCC)CCCC)ncnc21 1873659701 ZWBGYEXEUBJRBG-UHFFFAOYSA-N 425.964 5.540 30 10 IKEE CCSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1cccc(Cl)c1 1874222735 ALLXROQHIMUHRY-LFVJCYFKSA-N 428.989 5.500 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1ccc(C(C)C)cc1 1874223757 BOUXLERSUQGHKU-ZXVVBBHZSA-N 448.636 6.136 30 10 IKEE C=CCSc1nnc(Cc2ccc(OCC)cc2)n1/N=C/c1cccc(OCCC)c1 1874303398 WXPXKTILHAWTTJ-XIEYBQDHSA-N 436.581 5.217 30 10 IKEE Clc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2cccnc2)cc1 1874342995 SZDGSJSDAIQLCE-YZSQISJMSA-N 433.968 5.134 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccccc1 1874393742 VEHCDVDPHJMVRN-LEBHPONQSA-N 443.532 5.513 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(C2CCCC2)n1/N=C/c1ccccc1Cl 1874458926 MTUBYEWBDWOFTK-BRJLIKDPSA-N 449.382 6.556 30 10 IKEE Fc1cccc(Cl)c1/C=N/n1c(SCc2cccc(Cl)c2)nnc1-c1ccco1 1874468646 RKNJIKZKGVNVTB-BHGWPJFGSA-N 447.322 6.159 30 10 IKEE O=C(CSc1nnc(C2CCC2)n1/N=C/c1cccc2ccccc12)Nc1ccccc1 1874493653 XOMLYUCILVAKCP-WGOQTCKBSA-N 441.560 5.312 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2C2CCC2)cc1 1874494382 YWQJBNOFHXRXGO-YZSQISJMSA-N 433.625 5.875 30 10 IKEE C=C(C)CSc1nnc(C2CC2)n1/N=C/c1ccc(OCc2ccccc2)c(OC)c1 1874519386 QDFORFATFDVEDT-AFUMVMLFSA-N 434.565 5.294 30 10 IKEE Cc1cccc(CSc2nncn2/N=C/c2ccc(OCc3ccccc3C)cc2)c1 1874536487 GYUWQLXXFTZCLS-JFLMPSFJSA-N 428.561 5.648 30 10 IKEE CC(C)COC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccc([N+](=O)[O-])cc1 1874575636 XZCQPRVXSAHYTM-OUKQBFOZSA-N 433.460 5.222 30 10 IKEE Cc1ccc(C(=O)/C=C/c2c(OCC(=O)Nc3cccc(C)c3C)ccc3ccccc23)cc1 1874579261 FNJPYRJQHMHYEQ-WUKNDPDISA-N 449.550 6.679 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cc(Cl)ccc1OCc1ccccc1C 1874585507 XCOOFQLFBJNVNW-JLHYYAGUSA-N 448.990 7.430 30 10 IKEE Cc1ccc(COc2ccc(Br)cc2/C=C/C(=O)c2ccc(C)c(C)c2)cc1 1874588493 PEHLWERBJVKNGA-ZRDIBKRKSA-N 435.361 6.849 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Cl)c(OCC(=O)OC)c(OCC)c2)cc1 1874607624 WSWQGWRURORCIR-JLHYYAGUSA-N 430.928 5.529 30 10 IKEE O=C(/C=C/c1ccc(OCCc2ccccc2)c(Br)c1)c1ccc(Cl)cc1 1874613348 PTTCKXBUSMWLQA-WUXMJOGZSA-N 441.752 6.620 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OCc1ccc(C(=O)OC)o1 1874620294 RYZHGSRSGZWAAH-BJMVGYQFSA-N 438.451 5.388 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OCC(=O)Nc2c(C)cccc2C)cc1 1874620335 UPAJYTZTBRBYDD-SDNWHVSQSA-N 429.516 5.534 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)ccc1OCc1ccc(F)cc1 1874639442 ZNOAFKAMFROMHC-IZZDOVSWSA-N 440.898 6.362 30 10 IKEE COc1cccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2)c1 1874695252 RROLFEQFZDDDSX-DHZHZOJOSA-N 437.835 5.372 30 10 IKEE CCCCC1CCC(C(=O)Oc2cccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)c2)CC1 1874698188 KOGGRTMFOAWORV-LICLKQGHSA-N 435.520 6.393 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OC(=O)CCOc1ccccc1 1874703894 MYQIDDHBFYCOGR-XYOKQWHBSA-N 434.463 5.413 30 10 IKEE COc1cccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3cccc4ccccc34)c2)c1 1874708358 YKZPLUZKDODPBV-BMRADRMJSA-N 436.507 6.283 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC(=O)c2cccc(F)c2)c1 1874709667 NCFBKNBVQXKHNZ-ACCUITESSA-N 432.491 6.247 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1OC(=O)[C@H](C)c1ccccc1 1874712972 ZJIVVKKOZCUEJO-RDPWEWGOSA-N 444.527 5.926 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(OCC)cc2)CSc2nnc(C3CC3)n21 1874847502 MCIGNPAOGQQTBR-OAQYLSRUSA-N 442.629 5.616 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc(OC)c3)cc2OC)c1 1875104057 DKBYPMSIHXVGGL-ACCUITESSA-N 432.472 5.218 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-])c1cccnc1 1875105332 PAQNIKLUNUCYLS-XVNBXDOJSA-N 443.242 5.412 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Br)c1OC(=O)C1CCC1 1875111522 DORKBGATALIUNC-MDZDMXLPSA-N 449.728 5.713 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC(=O)CCC 1875132532 GXFRJECJFYSDAY-DHZHZOJOSA-N 433.331 6.332 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3sccc3C)c(Cl)c2)c(OC)c1 1875178315 DKDWFMLYGBMIJP-XBXARRHUSA-N 442.920 5.842 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc1OC 1875182259 UOSJIRFWMKTALV-ZRDIBKRKSA-N 444.955 6.438 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1ccc(C)c(C)c1 1875184495 DGSBDGQJNMZDBU-DHZHZOJOSA-N 428.528 6.353 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc(Cl)c1OC(=O)C(C)(C)C 1875191401 KIIVSTUXLWDEBY-VMPITWQZSA-N 441.738 6.503 30 10 IKEE C#CC[C@H](C)C[C@H](NCCC)c1cc(Br)ccc1I 1887488211 GGWPEFMRKHKOSW-LRDDRELGSA-N 434.159 5.144 30 10 IKEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 1912177438 DYLOBGUKOGMKTO-IAGOWNOFSA-N 438.573 5.003 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](O)c1cc(Cl)ccc1Br 1922053361 BJNOWRCTKXIORT-NHCUHLMSSA-N 438.793 5.277 30 10 IKEE CC(C)(C)OC(=O)NC1CC2(C1)CC(C#N)(N(Cc1cccs1)C(=O)OC(C)(C)C)C2 2007655244 CBZZFYYRSGZFQM-UHFFFAOYSA-N 447.601 5.215 30 10 IKEE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)C1=CC[C@H](C(C)(C)C)CC1 2010741437 APZNKOZMWFRKQB-FCHUYYIVSA-N 428.617 5.353 30 10 IKEE C=CCCCCCCCCC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2026314943 XPMRGMZHXYDDCX-ZJSXRUAMSA-N 431.617 6.361 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCC[C@H]1OCc1ccccc1 2043761019 FHZYIGPBXJOBKS-BVAGGSTKSA-N 436.552 5.858 30 10 IKEE C=CCN(CCC(=O)Cc1ccc(Cl)c(Br)c1F)C(=O)OC(C)(C)C 2047924632 FCRNCJSBMWHFNI-UHFFFAOYSA-N 434.733 5.166 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C12CCCC2 2072184811 IHHFCLVFNUSKJK-XMMPIXPASA-N 445.535 5.393 30 10 IKEE Cc1ccc([C@@H](n2nc(C(C)C)c(/C=N/O)c2I)C(C)(C)C)cc1 2078982973 WWEVRRXMKGKLIM-LASGFXPTSA-N 439.341 5.363 30 10 IKEE CC(C)c1nn([C@H](c2ccc(C3CC3)cc2)C2(C)CC2)c(I)c1C#N 2079017161 YMZZBHALYQISNB-LJQANCHMSA-N 445.348 5.750 30 10 IKEE C[C@H](c1ccc(C(F)(F)F)cc1F)n1nc(C2(C)CC2)c(C=NO)c1Br 2079946524 XBLLKTDTGQFBGX-SECBINFHSA-N 434.231 5.272 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)C1(C#N)CC(C)(C)OC(C)(C)C1 2149939487 XETMOAYCHIYYHA-UHFFFAOYSA-N 437.378 5.821 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1cccn2ccnc12 2151637291 NPOFLETXFDJGOL-KRWDZBQOSA-N 427.302 5.103 30 10 IKEE C[C@@H]1[C@H](Nc2cc(Br)c(C#N)cc2F)C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2162386503 CLQVLCODHXHSJW-MAAOGQSESA-N 438.341 5.048 30 10 IKEE CCC[C@@H]1CCOCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2165348677 NVXIDSXIRJQABP-IIBYNOLFSA-N 437.378 5.680 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1cnc(C2CCC2)[nH]1 2197501929 NMVZTEIFBHDNSE-QGZVFWFLSA-N 431.334 5.446 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 2220388471 BPIVCMIUFRDJEZ-OBWXTZQISA-N 447.551 5.495 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1sc(C)c(C)c1Br 2221817352 GGCJLYUWOYJAHO-GDBMZVCRSA-N 431.440 5.638 30 10 IKEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)cc1Cl 2222751094 IDIQKOXVGLYXOS-IRXDYDNUSA-N 429.786 5.060 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Br)cc1CC 2229246893 CUEHQZCCALZXJK-RBUKOAKNSA-N 425.411 5.522 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCC12CC(F)(F)C2 2230731858 BGMHNQDYMYMOMD-GOSISDBHSA-N 427.289 5.662 30 10 IKEE C=CCC[C@@H](C)[C@@H](NCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237427235 VVVDPRVVVQDRFO-LSTHTHJFSA-N 439.438 5.465 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cccc(Cl)c1Br 2272013073 AXTOHFCPHNOERV-FUHWJXTLSA-N 443.813 5.450 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)c1ccc(Cl)cc1Br 2275137323 SIBCJTVIRCFXJE-HXUWFJFHSA-N 439.733 5.408 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CC[C@@H](Nc3c(Br)cccc3C#N)C2)CC1 2285240344 LMMVDSSEJGKVID-MRXNPFEDSA-N 434.378 5.302 30 10 IKEE CCCCCCC[C@@H](OCC(=O)O)c1cc(Br)c(Br)s1 2290916753 CAHZHTQMYFAUJG-LLVKDONJSA-N 428.186 5.776 30 10 IKEE C/C=C/C[C@H](NC(=O)OC(C)(C)C)[C@H](C#Cc1cccc(Br)c1)NCCC 2296265726 AHTHXHVXMMMJIP-GXOGWTJNSA-N 435.406 5.028 30 10 IKEE Cc1nc(N2C(=O)C(=O)C(=C(O)c3ccc(Cl)cc3)[C@H]2c2cccs2)sc1C 2296767326 RQNQQYQBGQKQKM-MRXNPFEDSA-N 430.938 5.101 30 10 IKEE C=CCOc1ccc(C=C(C(=O)c2ccc(OCCC)cc2)c2nc3ccccc3o2)cc1 2296845291 VLUPEUDLWZGSSO-UHFFFAOYSA-N 439.511 6.605 30 10 IKEE C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=NN=Cc3ccc([N+](=O)[O-])s3)CC[C@H]12 2297476613 BKFIBDWKIPCPQA-RMSNXXCASA-N 441.597 5.755 30 10 IKEE O=C1C(=Cc2ccccc2F)SC(=NN=CC=Cc2ccccc2)N1Cc1ccco1 2314840934 KABWHWKATCWJBJ-UHFFFAOYSA-N 431.492 5.590 30 10 IKEE CCCSc1nnc(C2CC2)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2320868413 XUASOQZGXZMRLJ-UHFFFAOYSA-N 426.973 5.772 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(ccc(OCc4ccccc4Cl)c3C)C2=O)cc1 2321762250 BSVAYGRZZPWOJE-UHFFFAOYSA-N 447.962 6.690 30 10 IKEE C=Cc1ccc(COc2ccc3c(c2C)OC(=Cc2cccc(Br)c2)C3=O)cc1 2321876153 RFDOKHOMQMZKNV-UHFFFAOYSA-N 447.328 6.596 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc4c3CN(CCc3c[nH]c5ccccc35)CO4)C2=O)o1 2321911333 OUVZCORANZYSDH-UHFFFAOYSA-N 426.472 5.080 30 10 IKEE C[C@@H](c1ccccc1)N1COc2ccc3c(c2C1)OC(=Cc1ccc([N+](=O)[O-])cc1)C3=O 2322092451 NNAPGSBKMAYVAQ-INIZCTEOSA-N 428.444 5.124 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc3c(c2)OCO3)c1OCc1ccc(C)cc1 2322698893 RWRTZDWZUFHGPN-UHFFFAOYSA-N 436.891 5.861 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OC(=O)c4cc5ccccc5o4)c3C)C2=O)c1 2322842671 OWNORPXFNOKMSZ-UHFFFAOYSA-N 426.424 5.585 30 10 IKEE CCc1ccc(NC(=O)COc2cccc(C=CC(=O)c3ccc4ccccc4c3)c2)cc1 2323047545 SJLQFYIVTLCREQ-UHFFFAOYSA-N 435.523 6.316 30 10 IKEE C=CCOc1c(OC)ccc(C=CC(=O)c2ccc3c(c2)CCCC3)c1Br 2323053080 UYOWYQURPCDOQF-UHFFFAOYSA-N 427.338 5.797 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(OC(=O)CCc4ccc(C)cc4)c3C)C2=O)cc1 2323086042 MQFZZOOLJSELNJ-UHFFFAOYSA-N 442.511 5.857 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Br)c2)c(Br)c1OC 2323097915 MZQKOPWUYDTHRU-UHFFFAOYSA-N 426.104 5.125 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)CCCOc3ccccc3C)cc(C)c2C1=O 2323177251 PUDXWDZWYADMLD-UHFFFAOYSA-N 442.511 5.993 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OCC(=O)N[C@@H](C)c3ccccc3)c2)cc1C 2323318030 RNTUOJXWCZRSCL-NRFANRHFSA-N 443.543 5.464 30 10 IKEE Cc1c(OC(=O)c2cccc3ccccc23)ccc2c1OC(=Cc1ccc(Cl)cc1)C2=O 2323481670 SQBCBJQUUPLERF-UHFFFAOYSA-N 440.882 6.637 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OC(=O)CC4CCCCC4)ccc3C2=O)cc1 2323485809 QBHQGVWJXMGROU-UHFFFAOYSA-N 433.548 6.025 30 10 IKEE O=C1C(=Cc2ccccc2)Oc2cc(OC(=O)c3c(Cl)ccc(Cl)c3Cl)ccc21 2323656532 PAJCLSNAJSRBAQ-UHFFFAOYSA-N 445.685 6.482 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OCc1cccc2ccccc12 2323743514 DFDWQRSRYKPNLL-UHFFFAOYSA-N 430.450 6.602 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OCC(=O)N[C@@H](C)c1ccccc1 2323921214 WBOPSTKUZSETPB-FQEVSTJZSA-N 429.516 5.156 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OCc3ccc(F)cc3)c(Cl)c2)c1 2324017658 ZRGXXLQCUSUMND-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)cc(Cl)c1OCc1ccccc1 2324124762 GUOZWPVFDLDNRN-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OCC(=O)Nc1ccccc1C 2324194919 HOTAHLKBKLCYOI-UHFFFAOYSA-N 433.479 5.446 30 10 IKEE Cc1ccc(COc2ccc(C=CC(=O)c3ccc(F)c(F)c3)cc2Br)cc1 2324244799 SSBSSCNGKUTPLV-UHFFFAOYSA-N 443.287 6.511 30 10 IKEE O=C1C(=Cc2cc(Cl)cc3c2OCOC3)Oc2cc(OCCc3ccccc3)ccc21 2324281267 JERZYQJBBZQWOB-UHFFFAOYSA-N 434.875 5.444 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc(OCCOc3cccc(C)c3)c2C)C1=O 2324534793 LQIXDGZJUGYHNT-UHFFFAOYSA-N 430.500 5.776 30 10 IKEE CCCNC(=O)COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1Cl 2324652133 CSOZXSUFSJTWSE-UHFFFAOYSA-N 426.727 5.448 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1ccc2c(c1C)OC(=Cc1cccc(C)c1)C2=O 2325008753 ORZSQNUDFVEBBW-UHFFFAOYSA-N 441.527 5.808 30 10 IKEE Cc1cc(OCC(=O)OCC(C)C)cc2c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O2 2325068564 HHFLKNLFXWXDEC-UHFFFAOYSA-N 435.303 5.496 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O 2325092495 AAXFNOPJSLCJOV-NRFANRHFSA-N 426.484 5.723 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OC(c4ccccc4)c4ccccc4)c3C)C2=O)c1 2325216698 ZNSPRZOCGDHPLR-UHFFFAOYSA-N 432.519 7.088 30 10 IKEE Cc1cc(O[C@H](C)C(=O)Nc2ccc(C#N)cc2)cc2c1C(=O)C(=Cc1ccccc1F)O2 2325302032 JLSSAFPWKGEQBU-MRXNPFEDSA-N 442.446 5.028 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)c2)cc1 2325738389 NPHFHLFMQJGVPQ-NRFANRHFSA-N 428.528 6.387 30 10 IKEE CCCCC1CCC(C(=O)Oc2cccc(C=CC(=O)c3ccc(OCCC)cc3)c2)CC1 2325739425 DGDAOCCVQDRTSM-UHFFFAOYSA-N 448.603 7.274 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c(C)c3C)c2)cc1 2325755512 PJGCVFIPYMUDAH-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1OC(=O)Cc1ccccc1F 2325756995 RFUCFTTYNGUMEK-UHFFFAOYSA-N 448.490 5.504 30 10 IKEE CCCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1cc(C)ccc1O 2326031444 JRHOIAIVXAOSJV-UHFFFAOYSA-N 444.988 5.341 30 10 IKEE C=CCSc1nnc(COc2ccccc2OC)n1N=Cc1ccc(C(F)(F)F)cc1 2328288564 QMKKEMMDDINYNZ-UHFFFAOYSA-N 448.470 5.045 30 10 IKEE CCc1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2C)cc1 2329805377 NPKBREGNWVFEJZ-UHFFFAOYSA-N 444.579 6.053 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2N=Cc2cccc(O)c2)cc1 2330032595 ZNONHUHQPKECLF-UHFFFAOYSA-N 448.979 5.711 30 10 IKEE Cc1cccc(C=Nn2c(SCc3ccc(F)cc3)nnc2[C@@H](C)c2ccccc2)c1 2330063994 OXQBSZQVQSWZEO-IBGZPJMESA-N 430.552 6.052 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3ccccc3Cl)nnc2-c2ccccc2)c1 2330674926 BSNMVGADPWERAG-UHFFFAOYSA-N 448.979 6.172 30 10 IKEE Cc1cccc(C=Nn2c(CC(C)(C)C)nnc2SCC(=O)N[C@@H](C)c2ccccc2)c1 2330875475 DQUQGKOJMSARBT-IBGZPJMESA-N 449.624 5.027 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cc(C)ccc3C)c(OC)c2)cc1C 2330880137 BKWVHQDUKHKWRT-UHFFFAOYSA-N 444.527 5.673 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 2330934212 TYTXOOIPRUPVLF-UHFFFAOYSA-N 443.789 5.642 30 10 IKEE O=C(Cc1cccs1)Oc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl 2331020416 GKEXNUHDAVNONO-UHFFFAOYSA-N 427.865 5.354 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1[N+](=O)[O-] 2331092977 LCHNFBZHIDWMFS-UHFFFAOYSA-N 441.361 5.056 30 10 IKEE Oc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CCCC2)cc1O 2331093887 DMCKWLDLBXEBPX-UHFFFAOYSA-N 428.945 5.175 30 10 IKEE CSc1nnc(C(F)(F)F)n1N=Cc1ccccc1OCc1ccccc1Cl 2331104294 DNNSDPSROVLMHU-UHFFFAOYSA-N 426.851 5.133 30 10 IKEE O=[N+]([O-])c1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C(F)(F)F)cc1 2331150069 GPLVADXKPYPZSE-UHFFFAOYSA-N 441.822 5.033 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OC(=O)CCc1ccccc1C 2331174169 GIYRLEFDSCZSLE-UHFFFAOYSA-N 448.946 6.481 30 10 IKEE CCc1ccc(C(=O)Oc2c(Cl)cc(C=CC(=O)c3ccc(C)cc3)cc2OC)cc1 2331256772 ZKPXNXCYQZPULF-UHFFFAOYSA-N 434.919 6.335 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3F)c(Cl)c2)c1 2331320203 VPWJZMGEXOHEHH-UHFFFAOYSA-N 426.846 6.350 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1 2331470159 NVGPOFDJIXZBBA-UHFFFAOYSA-N 440.926 6.928 30 10 IKEE CC(C)(C)C(=O)Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1Br 2331473698 VJTXONSIWNDHKY-UHFFFAOYSA-N 437.333 6.450 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(SCCc2ccccc2)nnc1C1CCC1 2331530217 JZFGVIWEJIOCNU-UHFFFAOYSA-N 442.588 5.924 30 10 IKEE C=CCSc1nnc(C2CCC2)n1N=Cc1ccc(OCCCCC)c(OCC)c1 2331532339 LEEBIAJLBHSUPG-UHFFFAOYSA-N 428.602 5.674 30 10 IKEE CSCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1Br 2331706762 XTNNOICOFGEKMK-UHFFFAOYSA-N 447.394 6.011 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(SCC(=O)Nc3ccccc3)nnc2C2CC2)cc1 2331721699 CPHCRZFSLVKTQL-UHFFFAOYSA-N 433.581 5.066 30 10 IKEE Cc1cc(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)c(C)cc1NC(=O)OC(C)(C)C 2338963523 UVWCMTBWTHISAL-UHFFFAOYSA-N 440.349 5.137 30 10 IKEE CC1(C)OB(C=Cc2ccc(N[C@@H]3CCCCN(Cc4ccccc4)C3)nc2)OC1(C)C 2339585718 TTZDOUJBHKOGKT-HSZRJFAPSA-N 433.405 5.193 30 10 IKEE CC1(C)OB(C=Cc2ccc(SCc3ccc(Br)cc3)nc2)OC1(C)C 2366983203 DOAJCFDPMMTULV-UHFFFAOYSA-N 432.192 5.781 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Br)c(Oc2ccc(C#N)c([N+](=O)[O-])c2)c1 2370342025 PQOMRIODCPAJBD-UHFFFAOYSA-N 434.246 5.368 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1snnc1C1CCC1 2377296291 OOMKEIGXIMFRLS-HNNXBMFYSA-N 449.374 5.574 30 10 IKEE O=C1N/C(=N/c2ccccc2)S/C1=C\c1ccc(-c2cccc(Br)c2)o1 6457392 GKMMFSAFTYITEF-PDGQHHTCSA-N 425.307 5.601 30 10 IKEE N#Cc1cnn(-c2ccc3ccccc3n2)c1NC(=O)C(c1ccccc1)c1ccccc1 12239118 XSTCCEQTGQCXHB-UHFFFAOYSA-N 429.483 5.063 30 10 IKEE Cc1ccc(C(=O)C[C@H]2S/C(=N\c3ccccc3C)N(c3ccccc3C)C2=O)cc1C 15055253 YJCNVFWMEHWJAJ-KQWPUEFFSA-N 442.584 6.329 30 10 IKEE Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 20134773 NCDROPGVNDBYAO-FQEVSTJZSA-N 428.492 5.494 30 10 IKEE Cc1cccc(Cl)c1COc1ccc(/C=N/Nc2n[nH]c(SC3CCCC3)n2)o1 20425230 LDLMHIMTYXSBEP-SSDVNMTOSA-N 431.949 5.419 30 10 IKEE CCc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(O)c(OC)c2)cc1 21220768 FGARUZBWIJEVFU-MMTVBGGISA-N 440.543 5.943 30 10 IKEE Cc1cc(N(CCC#N)C(=O)CSc2nccn2-c2cccc(F)c2)ccc1Cl 29446899 ACZAOKQVWZZSJL-UHFFFAOYSA-N 428.920 5.012 30 10 IKEE COc1ccc(Oc2ccc(/C=C\C(=O)c3ccc(OC(F)F)cc3)cc2[N+](=O)[O-])cc1 33661685 JHHUILZDTOABFS-OIXVIMQBSA-N 441.386 5.893 30 10 IKEE CCCCCn1c(O)c(C(=O)c2oc3cc(C)c(Cl)cc3c2C)c(C)c(C#N)c1=O 38616837 VGBBKOBJTCSZMA-UHFFFAOYSA-N 426.900 5.172 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2)S/C(=N/c2cccnc2Cl)N1C1CCCCC1 39864135 MLMHTSSOEXJORT-OQJKFJKISA-N 432.376 6.325 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(C2CCCCC2)C4)c1 41645755 QOOSXEACGURARB-QRVIBDJDSA-N 435.520 5.113 30 10 IKEE C[C@H](c1ccccc1)N1COc2ccc3c(c2C1)O/C(=C\c1ccc([N+](=O)[O-])cc1)C3=O 41659422 NNAPGSBKMAYVAQ-GEWRUKCFSA-N 428.444 5.124 30 10 IKEE COc1ccc(N/C(=N/C(=O)c2ccccc2)Nc2nc(C)cc(-c3ccccc3)n2)cc1 59487996 YOANTXQUZYGYQP-UHFFFAOYSA-N 437.503 5.181 30 10 IKEE Cc1ccc(Oc2ccc(C(F)(F)F)cc2/N=C/c2cccc(Cl)c2O)c(Cl)c1 59507023 BVHWZUGSVOUWJS-LUOAPIJWSA-N 440.248 7.569 30 10 IKEE CCCCCCCCCCCCOc1ccc(C(=N)N(C(C)C)C(C)C)c2ccccc12 95741706 JUGAZBKICXRXHV-UHFFFAOYSA-N 438.700 8.584 30 10 IKEE O=S(=O)(c1ccc(/N=C/c2cccc(OCc3ccccc3)c2)cc1)N1CCCCCC1 100037146 JDNNAEKAKRBMSP-NHFJDJAPSA-N 448.588 5.581 30 10 IKEE O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@H](c2ccc(F)cc2)/C1=C(/O)c1ccccc1 102506632 ZAYNSVPITQDRCW-GOBJLOIFSA-N 448.450 5.201 30 10 IKEE Cc1ccc(/N=C2/C(=O)N(CN3CC[C@@H](c4ccccc4)C3)c3ccccc32)cc1Cl 105140930 YJUSQGMRFGOKHB-IKRTZVAJSA-N 429.951 5.563 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2ccccc2C)c1 169937173 MMASZZPXAWHGFE-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@H]2c2ccccc2OC)cc1 169941991 ZSRWLLADDMLCNP-XMMPIXPASA-N 443.499 5.049 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(Cl)c2)c1 169970165 UHKIRZKMESFXPQ-OAQYLSRUSA-N 438.310 6.085 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2cccnc2)cc1 170005384 FTNKVDVVJZLTMS-QFIPXVFZSA-N 432.907 5.389 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@H]1c1cccnc1)c1c[nH]c2ccccc12 170007927 NBCQNSYHNOZTDP-VWLOTQADSA-N 445.478 5.499 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(O)c(Cl)c1)c1ccc(Cl)cc1 170041527 YFKGMKJFDXPFSK-IBGZPJMESA-N 444.270 5.071 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1c[nH]c2ccccc12)c1cccc(Cl)c1 170076690 IVLWMLCOHWCXPG-OAQYLSRUSA-N 432.863 5.193 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(O)cc2)cc1C(C)(C)C 170138278 ALLTXBGZMXDZRK-HSZRJFAPSA-N 449.547 5.219 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2OC)[C@H]1c1ccc(C(C)(C)C)cc1 170149867 YQNQFWXWWPJKGP-HSZRJFAPSA-N 435.564 5.680 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2cccnc2)c1 170185111 YYKVKNUZFUEUIY-XMMPIXPASA-N 442.515 5.270 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccncc2)cc1C(C)(C)C 170203272 SXFGIBTWNNRFRY-HSZRJFAPSA-N 442.515 5.171 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccccc1)c1cc2ccccc2o1 170226504 XDAKJZQGVQEFAR-JOCHJYFZSA-N 429.859 5.869 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@@H]1c1ccc(F)cc1 170243335 UWSHAUXMEGZPLJ-IBGZPJMESA-N 431.891 5.175 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccc2F)cc1 170248550 IQEOAHPGFZDKEJ-XMMPIXPASA-N 445.490 5.706 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccc(CC)cc1 170268310 XJHYEGHQPOEIPH-VWLOTQADSA-N 449.591 6.052 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccccc1C 170277531 BNPOWTJZSLVNPY-QFIPXVFZSA-N 433.504 5.518 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccc(C)o2)c1 170299927 LUCPAGMGKWDVMX-DEOSSOPVSA-N 445.515 5.777 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccc(C)o2)cc1 170300765 BYKGNVTYFLHNFK-XMMPIXPASA-N 445.515 5.721 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(C)o2)c(C)c1 170304810 GVBDXIURYUBFGC-QHCPKHFHSA-N 427.456 5.734 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)cc1 170326973 DXMXQNJHYWEENJ-NRFANRHFSA-N 437.854 5.271 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccc3ccccc23)c1 170369218 ASPMNGAFXJOBGL-VWLOTQADSA-N 435.479 5.631 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)[C@H]1c1ccc(F)cc1)c1cccs1 170377635 MFCWGKMTRGOYOP-SFHVURJKSA-N 447.409 5.689 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(Cc2ccccc2OC(C)(C)C)[C@@H]1c1ccc(O)cc1 170447808 FSXDOMJXRJPPCB-HSZRJFAPSA-N 437.536 5.080 30 10 IKEE COc1cc(Br)c(Br)c(C=Nc2cccc3ccccc23)c1O 252628659 SVEMOPDVUBKINV-UHFFFAOYSA-N 435.115 5.830 30 10 IKEE Cc1ccc(C=NNc2nc(-c3ccc(F)cc3)c(NC(=O)c3ccccc3)s2)cc1 254376173 QEHLAPSZERQTKB-UHFFFAOYSA-N 430.508 5.956 30 10 IKEE CCCCCCCCCCC(=O)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 405906395 UFCKKLKEGMJCNU-UHFFFAOYSA-N 440.422 7.510 30 10 IKEE C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCN(c5cc(Cl)ccc5C)CC4)[C@H]3C[C@@H]12 504669021 YQZIRLKEPCVJRH-ISKHGZDKSA-N 443.031 5.085 30 10 IKEE biogenic COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 526486475 LNJTWPRQZFAUAW-VWLOTQADSA-N 438.527 5.922 30 10 IKEE CCCOc1cccc([C@@H]2C(c3cccc(OC)c3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 526490424 WTVGXJBLXIJUJK-RUZDIDTESA-N 440.499 5.413 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccc(O)c2)cc1Cl 526490467 GHUSCBQOFABBHD-QHCPKHFHSA-N 446.890 5.373 30 10 IKEE CCOc1cc([C@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)ccc1O 526521010 JUXRSTVUERRXJI-DEOSSOPVSA-N 426.472 5.028 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3cccc4ccccc34)[C@H]2c2ccccc2C(=O)O)c1 526523103 ZWSROANGUBSGFC-RUZDIDTESA-N 446.462 5.467 30 10 IKEE CCN(CC)c1ccc(/C=N\n2c(C)nnc2SCc2cccc3ccccc23)cc1 526821264 JRTSXKRDTGNEJF-ONUIUJJFSA-N 429.593 5.760 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)c3ccc(C)c(C)c3)C2)c1 586002029 MIBFOWHZIMQRJE-XMMPIXPASA-N 433.596 5.176 30 10 IKEE C[C@]12CC[C@H]3[C@@H](CC(=O)C4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1 605694489 SIZDXXNENOWRGC-TWVZFIMBSA-N 426.597 5.580 30 10 IKEE in-vitro CC(C)(C)OC(=O)N(c1ccccc1)[C@@]1(C#N)CCc2cc(Br)ccc2C1 698369528 IZVDLDJAHAQOGD-QFIPXVFZSA-N 427.342 5.642 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CC[C@@H]2CCCC[C@H]2C1 723605980 AFYYBQTZGLLYHD-PNLZDCPESA-N 433.390 6.443 30 10 IKEE CC(=O)C(=NNc1ccccc1Cl)Sc1ncc(-c2ccccc2)n1-c1ccccc1 1084480602 XLXVNBXHOUULEB-UHFFFAOYSA-N 446.963 6.299 30 10 IKEE Oc1ccc2ccccc2c1C=NNc1nc(SCc2ccc(Cl)c(Cl)c2)n[nH]1 1084551711 UHKBGBLHRPJYSC-UHFFFAOYSA-N 444.347 5.709 30 10 IKEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(-c3ccccc3OC)nc2O)c1 1455950850 VRTZJDPLSJIVCX-UHFFFAOYSA-N 434.495 5.291 30 10 IKEE N#Cc1ccc(CN(CCOc2ccc(Cl)c(F)c2)c2ccc3nc(O)[nH]c3c2)cc1 1653642425 BJTFNDMTJFXNFB-UHFFFAOYSA-N 436.874 5.018 30 10 IKEE CCN1C(=O)/C(=C\c2cccc(OCc3ccc(C)cc3)c2)SC1=Nc1nccs1 1772738796 WEARCPFWTSIMOD-SKYIDQJDSA-N 435.574 5.654 30 10 IKEE COc1cccc(-n2cc(/C=N\NC(=S)Nc3ccccc3)c(-c3ccc(F)cc3)n2)c1 1857808826 HBSSDAXRLTUIIQ-YSMPRRRNSA-N 445.523 5.008 30 10 IKEE C=CCN(C(=O)c1ccc(OCc2ccccc2)cc1)C1CCN(Cc2ccccc2)CC1 1860027968 WULNXNMFURCWBY-UHFFFAOYSA-N 440.587 5.558 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C3=CCN(C(=O)c4cccc(C#N)c4)CC3)cc2)cc1C 1860685052 ZCJGJXYVSXNXBE-UHFFFAOYSA-N 436.511 5.324 30 10 IKEE CC(C)c1ccccc1NC(=O)CSc1nc(O)c(C#N)c(-c2ccccc2Cl)n1 1860827277 RPIUCAOUMQCXOM-UHFFFAOYSA-N 438.940 5.228 30 10 IKEE CCCCCCCCNC(=O)[C@H](NC(=O)Cc1cc(OC)ccc1Cl)c1ccccc1 1860977549 AULQQNXWGDZCTA-XMMPIXPASA-N 445.003 5.225 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)CCc1ccc(OC)cc1)[C@@H](C)CC 1861085034 SOGWHIKAHVMEAB-OFVILXPXSA-N 432.649 5.416 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc(-c2ccccc2)cc1 1862117177 CHIZKGNBBUMKBK-SANMLTNESA-N 442.534 5.034 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccccc1Cl 1862381246 VTGNLIRSCNXDNB-ADLMAVQZSA-N 438.738 6.024 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2cccc(Cl)c2)cc1 1862392131 QEPZSQNBBWKAPN-KSFYIVLOSA-N 425.956 6.059 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCc2ccc(C)cc2)cc1 1862476158 DEIWMFBWTCXNMZ-RUZDIDTESA-N 441.527 5.133 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@H]2c2cccc(F)c2)c1 1862488555 CBFSRDLJUUVJNC-QHCPKHFHSA-N 449.909 5.874 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCc2cccs2)cc1 1862507763 SWYRBIAXCHXQPE-QFIPXVFZSA-N 435.520 5.325 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cccc(Cl)c1 1862548020 IOCQOTONPSJOJU-HSZRJFAPSA-N 437.967 5.843 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccccc1 1862614687 FHUGPMORCTWGFR-ILBGXUMGSA-N 447.619 6.921 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(C(=O)O)cc1 1862653689 GTZIEQSTHTUWFX-HSZRJFAPSA-N 443.499 5.162 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@H]1c1ccccc1F)c1ccc(F)cc1 1862672670 FFTXFSCLEUAQKZ-QFIPXVFZSA-N 425.475 5.656 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862686835 CKJCWORIWZUXJN-VWLOTQADSA-N 447.575 5.949 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccc(C)c1 1862722540 SQKLJTXUZKQVEC-RUZDIDTESA-N 441.527 5.277 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2CC(C)C)cc1 1862723891 GZPZOAXZXIIFHY-SANMLTNESA-N 439.555 6.150 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(F)c(Cl)c3)C2=O)cc1C 1862872463 FTYYJQWUEQZXKW-UHFFFAOYSA-N 445.881 5.364 30 10 IKEE CCCCCCCCN1C(=O)C(NC2CCCC2)=C(c2ccc(OC(C)C)cc2)C1=O 1863696044 BTZZWNQRSSBQQR-UHFFFAOYSA-N 426.601 5.446 30 10 IKEE CCCCCCCCCCNC1=C(c2cccs2)C(=O)N(Cc2cccc(C)c2)C1=O 1863808576 STJOGSLVAYAIOH-UHFFFAOYSA-N 438.637 6.067 30 10 IKEE CCCCCCCOc1cccc2c1C(=O)N(C1CCN(Cc3ccccc3)CC1)C2=O 1865817296 PBRMSHDIYVHPHW-UHFFFAOYSA-N 434.580 5.296 30 10 IKEE N#Cc1ccc(NC(=O)[C@H](NC(=O)[C@H](c2ccc(Cl)cc2)C2CC2)c2ccccc2)cc1 1867001689 NLENTRQRROADTA-BJKOFHAPSA-N 443.934 5.201 30 10 IKEE N#Cc1nnn(Cc2ccc(Cl)c(Cl)c2)c1NC(=O)CC12CC3CC(CC(C3)C1)C2 1870106933 JZSFHBCEMJMIDF-UHFFFAOYSA-N 444.366 5.050 30 10 IKEE Cc1c(Cl)cccc1-n1nnc(C#N)c1NC(=O)[C@H](Cc1ccccc1)c1ccccc1 1870147875 KZBFQNPLGNITDV-HXUWFJFHSA-N 441.922 5.066 30 10 IKEE CCCCCCCCCCn1cc(OCc2ccc(F)cc2)c(=O)cc1CSCC 1870170622 RWSDKPCAFCUVFL-UHFFFAOYSA-N 433.633 6.960 30 10 IKEE C=CCOc1cn(Cc2ccc(Cl)cc2)c(CNc2ccc(OC)c(Cl)c2)cc1=O 1870813227 CFXJVHUNMUGROF-UHFFFAOYSA-N 445.346 5.389 30 10 IKEE CCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccccc1C(C)C 1871250931 DNBOCFKJAKGFQG-UHFFFAOYSA-N 429.564 5.835 30 10 IKEE C=CCn1cc(OCCC(C)C)c(=O)cc1CNc1ccc(OCc2ccccc2)cc1 1871253325 VIUASTKUMAQQDA-UHFFFAOYSA-N 432.564 5.650 30 10 IKEE CCCCCCCCN=c1nc2c(cnn2C)c(Nc2ccc(N3CCC(C)CC3)cc2)[nH]1 1871295527 QQUFZNSHOUNPEO-UHFFFAOYSA-N 449.647 5.538 30 10 IKEE Cc1cc(C)cc(OCCN2COc3ccc4c(c3C2)O/C(=C\c2ccc(C)o2)C4=O)c1 1871347282 LWRVUSWZFDBWDT-CFRMEGHHSA-N 431.488 5.052 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc3C2=O)cc1 1871388495 YRXLAOHEYUNPCO-MYYYXRDXSA-N 428.484 5.872 30 10 IKEE Cc1c(OC(=O)CCc2cccs2)ccc2c1O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871392213 POBJZQILWIAXNX-HAHDFKILSA-N 432.541 6.334 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCCCc4ccccc4)cc(C)c3C2=O)c1OC 1871399592 OBCAVYODBKUIRE-JLPGSUDCSA-N 430.500 5.640 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)OC(C)C)cc2c1C(=O)/C(=C/c1ccc(Cl)c(Cl)c1)O2 1871400588 FTCOAXOMOOJGMK-ATDWHHCWSA-N 435.303 5.637 30 10 IKEE O=C1/C(=C/c2cccc(F)c2)Oc2cc(OCCOc3cccc4ccccc34)ccc21 1871415898 ZLXZXKFEIIHENN-QQXSKIMKSA-N 426.443 6.053 30 10 IKEE Cc1cc(OCc2cccc3ccccc23)cc2c1C(=O)/C(=C/c1ccc3c(c1)OCO3)O2 1871434937 WMKJUUZKVDUSIX-ZMFRSBBQSA-N 436.463 6.072 30 10 IKEE CCCCCCCCCCN=c1nc(N(C)CCCC)[nH]c(=Nc2ccc(F)c(F)c2)[nH]1 1871685662 SMSQAYLSYRLSSR-UHFFFAOYSA-N 448.606 5.526 30 10 IKEE CC(C)(C)c1ccc(-c2csc([C@H](C#N)C(=O)/C=C\c3ccc4c(c3)OCCO4)n2)cc1 1872772807 HSQKYSTVDSQJMW-GFXXNKMTSA-N 444.556 5.768 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)c(Cl)c3)n2)c(C)c1C 1872777997 AXSUAHQRYJBCBY-HNNXBMFYSA-N 431.344 6.232 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCCC)=C(c2cccc(Cl)c2Cl)C1=O 1873126834 MEDPWKJABKPXGS-UHFFFAOYSA-N 439.427 6.214 30 10 IKEE C=CCn1c(C(=O)N(CCCC)CCCCCC)cc2c(N(C)CCCC)ncnc21 1873562131 OMAJANXCJBBYPE-UHFFFAOYSA-N 427.637 5.676 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1c2ccccc2C(=O)N([C@H](C)CC)C12CCCC2 1873937007 WNSVYPWYRSCCNK-RCZVLFRGSA-N 440.672 6.594 30 10 IKEE O=C(CCn1ccc(=O)c2cc(F)ccc21)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1874180620 HQINCPOCSDTZEJ-UHFFFAOYSA-N 446.322 5.207 30 10 IKEE CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874216912 KZYZIKWJYOTNEB-SSDVNMTOSA-N 445.932 5.030 30 10 IKEE CCCOc1ccccc1/C=N/n1c(CCc2cccc3ccccc23)nnc1SCC 1874231866 FZFZKHKMUMZYLT-ZXVVBBHZSA-N 444.604 6.000 30 10 IKEE Fc1ccc(CSc2nnc(CC34CC5CC(CC(C5)C3)C4)n2/N=C/c2ccc[nH]2)cc1 1874242424 FVGDDLCVTBDQRF-RWPZCVJISA-N 449.599 5.679 30 10 IKEE C=CCSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1cccc2ccccc12 1874259364 VYTGSUSMRLMQPS-OVVQPSECSA-N 442.588 6.123 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccc(Cl)cc3)n2/N=C/c2ccccc2)c1 1874263622 IHDLHJXHEPCSTJ-CVKSISIWSA-N 448.979 5.993 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccccc3Cl)n2/N=C/c2cccnc2)cc1 1874265931 XCOGYPDZDWXRFX-VULFUBBASA-N 449.967 5.388 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874279041 QAXUCCZUIOOBPU-YDZHTSKRSA-N 441.944 5.175 30 10 IKEE COc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2C)cc1 1874292259 UKKQCBYBMGBQSI-WGOQTCKBSA-N 444.560 5.349 30 10 IKEE CCCSc1nnc(CCc2ccc(OC)cc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874307688 JUGVBOURUILWTM-CVKSISIWSA-N 448.514 5.475 30 10 IKEE Fc1ccc(CSc2nnc(CCCOc3ccccc3)n2/N=C/c2ccccc2)cc1 1874316116 BXNLSMNWMAAOBM-OVVQPSECSA-N 446.551 5.603 30 10 IKEE Cc1cccc(OCc2nnc(SCc3ccccc3F)n2/N=C/c2ccccc2)c1C 1874323486 RLFQPUCXZWRFHJ-JFLMPSFJSA-N 446.551 5.788 30 10 IKEE C=CCSc1nnc(CCc2ccccc2C)n1/N=C/c1c(OC)ccc2ccccc12 1874362063 MGUIPRHIAPWNSW-OVVQPSECSA-N 442.588 5.694 30 10 IKEE Cc1cccc(CSc2nnc(CCc3cccs3)n2/N=C/c2cccc(F)c2)c1 1874370426 YWRLYAYTVSIJHN-MFKUBSTISA-N 436.581 5.747 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(SCc2ccccc2)nnc1C1CCCC1 1874456053 YHRLYGWZAHHKBF-WPWMEQJKSA-N 442.588 6.272 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2C(F)(F)F)c1 1874461399 LQWCHGFCHMHJOV-BRJLIKDPSA-N 434.487 5.487 30 10 IKEE COCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccc(F)cc1 1874472977 HFHGLCXXEXDURR-FOKLQQMPSA-N 439.343 5.087 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(Cl)cc1Cl 1874483200 JPAXPEIRWVIOKS-BHGWPJFGSA-N 437.371 6.196 30 10 IKEE CC(C)Cc1nnc(SCc2ccccc2F)n1/N=C/c1ccc(C(F)(F)F)cc1 1874489741 IGDDUJLLLODCHD-RPPGKUMJSA-N 436.478 5.809 30 10 IKEE CC(C)Cc1nnc(SCc2ccccc2F)n1/N=C/c1ccc(Cl)c(Cl)c1 1874489916 RILRYQGJGACSSD-BHGWPJFGSA-N 437.371 6.097 30 10 IKEE Cc1ccc(COc2ccc(/C=N/n3cnnc3SCc3ccccc3F)cc2)cc1 1874538714 SLIPXRGBVXEUNG-MZJWZYIUSA-N 432.524 5.479 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1OCc1ccc(C)cc1 1874571324 HRAPBVMPNPSVTG-ZHACJKMWSA-N 437.879 6.040 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccccc2Cl)cc1OC 1874573140 XROWIKNMVAEEBQ-JXMROGBWSA-N 443.326 6.486 30 10 IKEE CCCN(CCC)C(=O)COc1c(/C=C/C(=O)c2ccccc2Cl)cccc1OC 1874574865 JTHJAJWNPGRBOX-BUHFOSPRSA-N 429.944 5.272 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(F)c(C)c2)c1OCC(=O)Nc1cccc(C)c1 1874581553 SMDXANRCFIASJJ-ACCUITESSA-N 433.479 5.365 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1OCC(=O)Nc1cccc(C)c1 1874597140 WNNBAVVJGZDCDS-PKNBQFBNSA-N 445.515 5.234 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)c1 1874605121 HDPIZKNFRHIQFX-PKNBQFBNSA-N 439.870 5.401 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)cc1C 1874608077 VIVTYYAHWKDVND-NYYWCZLTSA-N 449.478 5.065 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OCC(=O)N[C@H](C)c1ccccc1 1874618736 QJHUMMNBECCABE-ZISLFAKRSA-N 443.543 5.464 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1C(C)C 1874627348 KZRHGFGMZNXOLA-NTCAYCPXSA-N 449.591 5.851 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3ccc(Cl)cc3)c2)cc1C 1874696039 FVHQXMILERGYPM-WUXMJOGZSA-N 436.891 5.538 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OC(=O)c1ccccc1Cl 1874699045 AYRICZDBMQQFCN-PKNBQFBNSA-N 427.283 6.117 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C)cc3C)c2)c1 1874702347 OAYOVEWIQZACEA-FYWRMAATSA-N 428.528 6.273 30 10 IKEE Cc1cccc(C)c1OCC(=O)Oc1cccc(/C=C/C(=O)c2ccc(C(C)C)cc2)c1 1874709510 FFFDOPPCLUAJGS-LFIBNONCSA-N 428.528 6.307 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)c(C)c1C 1874712125 PYCJSGCKRMBQMJ-NTUHNPAUSA-N 431.444 5.336 30 10 IKEE CCCCCCC(=O)Oc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC 1874715729 JILWPYOPRKSMSY-DTQAZKPQSA-N 436.592 7.073 30 10 IKEE C=CCN(CC=C)CCC(=O)c1cccc(NC(=O)c2ccc3cc(Cl)ccc3n2)c1 1874727839 DAKGFFLJGSMIFL-UHFFFAOYSA-N 433.939 5.387 30 10 IKEE CCCCCCCCC(=O)N1[C@H](C(C)(C)C)CSc2nnc(Cc3ccccc3)n21 1874954237 IPCFODUHUYLRAE-FQEVSTJZSA-N 428.646 5.605 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3c(C)cccc3C)cc2)c1 1875102448 HXNYJAZAFNKXKU-SAPNQHFASA-N 444.527 5.973 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3ccc(C)cc3)c(OC)c2)cc1 1875112584 KVGSAHVGOHVVAS-VGOFMYFVSA-N 432.472 5.136 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)CCOc1ccccc1 1875129231 QMMHQJRAZVJCBX-FOCLMDBBSA-N 442.511 5.694 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)c1ccccc1C 1875137776 DNQLOHIIIMBKEV-VAWYXSNFSA-N 434.919 6.389 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)c(C)c3)cc2)c(C)c1C 1875167378 BKPCSPRKMNWNDJ-MDWZMJQESA-N 432.491 5.804 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1OC(=O)C(C)C 1875169632 VJZJVYWJEWMODR-MDZDMXLPSA-N 428.956 6.430 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cncc(C)c3)cc2)c(OCC)c1 1875177306 FFMCATMQNKQPLE-MDWZMJQESA-N 431.488 5.303 30 10 IKEE C=C[C@@H](C)SC(C)(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1883383984 WUANKFQJBZZTDX-QVKFZJNVSA-N 425.550 5.065 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1C[C@@H]2C[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 1922069225 OZWUBIGDOAORIF-QWQGWLCTSA-N 428.617 5.067 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]1(CNC(=O)OC(C)(C)C)CC12CCC2 1922093221 ATASNNQRXSVTCK-GJZUVCINSA-N 428.617 5.213 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1ccc(NC(=O)OC(C)(C)C)c(OC)c1 1924323337 BZDXQAGKSBPNCD-XMMPIXPASA-N 440.584 5.856 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)CCC1(C)C 1950226498 VONKPRSGLGJBEG-XMMPIXPASA-N 429.561 5.500 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@](C)(CC(F)F)NC(=O)OC(C)(C)C 1982479761 SRSFKDZDHOOOAE-NZQKXSOJSA-N 426.548 5.066 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@](C)(C#N)[C@]1(C)CCN1C(=O)OC(C)(C)C 1999897396 NOQDHOYPAWJIBG-XZOQPEGZSA-N 449.979 5.763 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@H]1CCN(C(=O)OC(C)(C)C)C12CCCC2 2008776037 WRDYOFKNSKCIKB-DHIUTWEWSA-N 428.617 5.307 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1c(Cl)cc(Cl)cc1Br 2024059118 LWESUHGBVCTKAC-LBPRGKRZSA-N 438.149 5.164 30 10 IKEE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2032553045 UDLUAWPDZFEOPT-DFBJGRDBSA-N 449.636 5.876 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@]1(C#N)CCN(Cc2ccccc2)CC12CCC2 2037437496 KTWABRRKGRFTET-MHZLTWQESA-N 431.580 5.767 30 10 IKEE Cc1ccc(S(=O)(=O)N=C(c2ccc(Cl)cc2)[C@H](C#N)c2nc3ccccc3[nH]2)cc1 2040465573 WEDSNXWNOUSWQX-IBGZPJMESA-N 448.935 5.010 30 10 IKEE COc1ccc(C=C2C[C@@H](C(C)(C)C)Cc3c2nc2ccccc2c3C(=O)OCC#N)cc1 2042440595 NJORMWDVDORMNK-HXUWFJFHSA-N 440.543 6.073 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)CCC12CCC2 2057363996 BFEDLYVTVLCWEK-RUZDIDTESA-N 447.620 5.772 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C12CCCC2 2072187897 IKIBACILWGSGDH-RUZDIDTESA-N 447.620 5.772 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)c1 2076315341 BBWKRNZPPDZZTP-DFBJGRDBSA-N 443.588 5.666 30 10 IKEE CC(C)[C@H](c1ccc(C(F)(F)F)cc1F)n1nc(C2CC2)c(C=NO)c1Br 2079903895 OOSDAXNTNXYGBX-MRXNPFEDSA-N 448.258 5.734 30 10 IKEE CC(C)c1ccc([C@@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C2(C)CC2)cc1 2079956114 IKKXVLPQTHLNPB-LJQANCHMSA-N 430.390 6.018 30 10 IKEE Cc1cccc(Cn2nc(-c3ccccc3)c(C#N)c2Br)c1Br 2080353359 ZOKBRUKFICVIDR-UHFFFAOYSA-N 431.131 5.304 30 10 IKEE CC(C)c1cc(C(F)(F)F)ccc1-c1cc(Cl)n2nc(C3CCCC3)c(C#N)c2n1 2081404631 WUTGDRKYVYGRLT-UHFFFAOYSA-N 432.877 6.721 30 10 IKEE CN(CCN(Cc1ccccc1)[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1C#N)Cc1ccccc1 2095947570 PSNAWFSVQHBOIZ-FRXPANAUSA-N 437.631 6.097 30 10 IKEE CCN[C@@H](CC#CC(C)(C)C)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134731032 SCFGPKHCRJEEGU-MHZLTWQESA-N 441.615 6.935 30 10 IKEE Brc1csc(CN=C2NCC3(CCCCC3)CS2)c1Br 2150565463 WQCPIELAVPLKJX-UHFFFAOYSA-N 438.254 5.416 30 10 IKEE C#CCC1(NC(=O)c2ccc(NC(=O)OC(C)(C)C)c(Br)c2)CCCCC1 2180046271 URZAJULZJDIPHB-UHFFFAOYSA-N 435.362 5.252 30 10 IKEE C=CCCCCCCC[C@H](N)c1ccc(I)c(Br)c1 2227290695 JNDKMKXPGLJNJE-INIZCTEOSA-N 436.175 5.970 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(C#N)cc2Br)C[C@H]1C(F)(F)F 2279227044 DZYPEJHFQZHXTR-WFASDCNBSA-N 448.283 5.063 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(Nc2ccccc2Br)C[C@@H]2CCCC[C@@H]21 2279688669 PCOVZQFTJMZGOR-XERREHJYSA-N 434.378 5.323 30 10 IKEE COc1cc(C(=O)C=Cc2ccc(NC(=O)OC(C)(C)C)cc2)ccc1Br 2281568272 UYBGPNIKRLSUIR-UHFFFAOYSA-N 432.314 5.701 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)[C@H]1CCCN(Cc2ccccc2)C1 2285325732 ABYSWLQJIJYLBK-UPVQGACJSA-N 425.414 5.081 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)c1sccc1CNC(=O)OC(C)(C)C 2296309545 WZPSDEMZYSMAAR-SFHVURJKSA-N 449.414 5.238 30 10 IKEE COc1cc(C=C2SC(=Nc3ccccc3)NC2=O)ccc1OCc1ccccc1F 2296373970 MTGYFMCWKDFMQK-UHFFFAOYSA-N 434.492 5.305 30 10 IKEE O=C1C(=Cc2ccc(-c3ccccc3)cc2)Oc2c1ccc1c2CN(Cc2cccnc2)CO1 2297515799 PXOKXSYHPPLXLI-UHFFFAOYSA-N 446.506 5.717 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cccc(OCc2ccccc2)c1 2314449638 RKUMRRULOYVIBD-DQEYMECFSA-N 438.612 6.166 30 10 IKEE CCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1cc(Cl)c(OC)c(OC)c1 2318571590 NYTUGONEZPVJRR-UHFFFAOYSA-N 444.988 5.302 30 10 IKEE CCc1ccc(C=Nn2c(CC)nnc2SCc2ccc(Br)cc2)cc1 2318572043 YUVJEYHRTNIEQW-UHFFFAOYSA-N 429.387 5.340 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1cccc(F)c1)O3)CN(CCc1ccc(Cl)cc1)CO2 2321935449 MDNQBHRLCZHGMA-UHFFFAOYSA-N 449.909 5.798 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O3)CN(Cc1ccncc1)CO2 2321978163 AWSDVCCMPKVVAN-UHFFFAOYSA-N 440.543 5.656 30 10 IKEE Cc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(CCCCc1ccccc1)C3 2322252237 OORJTHMVQJZQJE-UHFFFAOYSA-N 439.555 6.094 30 10 IKEE COc1ccc(CCN2COc3c(cc4c(c3C)OC(=Cc3cccc(C)c3)C4=O)C2)cc1 2322290766 CTLPFJQZTOFHGM-UHFFFAOYSA-N 441.527 5.323 30 10 IKEE CCOC(=O)c1ccc(COc2ccccc2C=CC(=O)c2ccc3ccccc3c2)o1 2322312479 DXMSLLQJKAGROX-UHFFFAOYSA-N 426.468 6.085 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccc(C)c(C)c2)cc1 2322391406 MZLHCUHRQUGSMT-UHFFFAOYSA-N 441.571 6.560 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(N(C)C)cc1)C3=O)CN(CCc1cccs1)CO2 2322416711 XIFLVEKQCPPOMG-UHFFFAOYSA-N 446.572 5.133 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(F)cc2F)c1OCc1cccc(F)c1 2322501820 APUMOUFFPUFZQA-UHFFFAOYSA-N 432.825 6.241 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc(F)c(C)c1 2322634714 PPKHPPVFTKGXST-UHFFFAOYSA-N 431.935 5.711 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cc(Cl)ccc2OCc2cc(C)ccc2C)c1 2322662887 QCNHGOIWSLYIQW-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE Cc1cc(OC(=O)Cc2cccs2)cc2c1C(=O)C(=Cc1c(Cl)cccc1Cl)O2 2322868639 NXVKDBXJTAHPMI-UHFFFAOYSA-N 445.323 6.128 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OCc1ccc(Cl)cc1Cl 2323279787 MSMFPVUNTNWRHB-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE Cc1cc(OC(=O)Cc2ccc(Cl)c(Cl)c2)cc2c1C(=O)C(=Cc1ccncc1)O2 2323419535 ROLYAVGIQILJJU-UHFFFAOYSA-N 440.282 5.461 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(C=CC(=O)c3ccc4c(c3)CCCC4)cc2)c1C 2323419889 PKBOCBMXJXYIGU-UHFFFAOYSA-N 439.555 6.096 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1OC 2323437910 RFJHHRLDRLXJHF-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE CCCOc1c(Cl)cc(C=Nn2c(S)nnc2Cc2cccs2)cc1Cl 2323556613 ASHBEZYNYVIVLT-UHFFFAOYSA-N 427.382 5.197 30 10 IKEE CCCOC(=O)COc1c(Cl)cc(C=CC(=O)c2ccc(OCCC)cc2)cc1OC 2323921281 WBOMTSVQCQSJPG-UHFFFAOYSA-N 446.927 5.366 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)OCCC)cc2)cc1 2324201516 KXOKNJSYZJLYIM-UHFFFAOYSA-N 438.564 6.264 30 10 IKEE Cc1cccc(C=C2Oc3c(CN4CCC(N5CCCCC5)CC4)c(O)cc(C)c3C2=O)c1 2324210276 HSLBGOXMBGNUPA-UHFFFAOYSA-N 446.591 5.076 30 10 IKEE Cc1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2F)C3=O)c1C 2324498639 VTGHNNSHARYNRL-KRWDZBQOSA-N 431.463 5.465 30 10 IKEE CCn1cc(C=C2Oc3cc(OCC(=O)C(C)(C)C)ccc3C2=O)c2cc(OC)ccc21 2324919113 FMZURNRGFPEDTN-UHFFFAOYSA-N 433.504 5.280 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1cccs1)C2=O)Nc1ccc(F)c(Cl)c1 2325592814 OLUAGWDBVPFCFN-UHFFFAOYSA-N 429.856 5.174 30 10 IKEE CCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1cccc(Br)c1 2325592839 VSSFYVUCIPUUJG-UHFFFAOYSA-N 429.387 5.394 30 10 IKEE O=C(COc1ccccc1)Oc1cccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)c1 2325669418 NCWSZHQDSYWQNZ-UHFFFAOYSA-N 434.491 6.234 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4cc(Cl)ccc4C)c3C)C2=O)cc1 2325723931 GGYPBYZLOCPIOA-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE CCCCCCCCC(=O)Oc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC 2325742841 AODUYDKNEDDGEQ-UHFFFAOYSA-N 438.564 6.564 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)Cc2ccc(F)cc2)c1 2325763890 XVTXKFVBVBHPNY-UHFFFAOYSA-N 438.882 5.840 30 10 IKEE CCOc1cc(C=Nn2c(CC)nnc2SCc2ccccc2F)ccc1OC(C)C 2326269121 OPLWCTGHJQDELU-UHFFFAOYSA-N 442.560 5.340 30 10 IKEE Cc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1cccc(OCC(C)C)c1 2326567821 FQACCJMJWBVRRN-UHFFFAOYSA-N 432.952 5.588 30 10 IKEE CCOc1cc(C=Nn2cnnc2SCc2cc(C)ccc2C)cc(Cl)c1OC 2326589081 YIDLYWKLGPXLDF-UHFFFAOYSA-N 430.961 5.130 30 10 IKEE CCCOc1ccccc1C=Nn1c(CCCOc2ccccc2C)nnc1SCC 2327082489 NIJJMBVPZKGWNZ-UHFFFAOYSA-N 438.597 5.381 30 10 IKEE CSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccc(Cl)cc1Cl 2327506796 JMZSZLOJRGKFID-UHFFFAOYSA-N 427.744 5.421 30 10 IKEE C=CCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(OC)cc1OC 2327768038 DJXPYKUZEHISIT-UHFFFAOYSA-N 444.560 5.200 30 10 IKEE CCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1cccc(Br)c1 2328051540 YRMPITXHSBMPNQ-UHFFFAOYSA-N 449.805 5.473 30 10 IKEE CCCSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1ccc(C(F)(F)F)cc1 2328568824 XCYUKTWPBPCDIZ-UHFFFAOYSA-N 448.514 5.671 30 10 IKEE CCCSc1nnc(CCc2ccccc2OC)n1N=Cc1ccc(Cl)cc1Cl 2328699738 PXKAJKSBOPCZFM-UHFFFAOYSA-N 449.407 5.763 30 10 IKEE Fc1ccccc1C=Nn1c(Cc2ccc(Cl)cc2)nnc1SCc1ccccc1 2329101392 XKTHVYOBLNWKLW-UHFFFAOYSA-N 436.943 5.836 30 10 IKEE C=CCSc1nnc(CCOc2ccccc2)n1N=Cc1c(OC)ccc2ccccc12 2329207667 NKNXNVUNOTYBKU-UHFFFAOYSA-N 444.560 5.222 30 10 IKEE CCCSc1nnc(CCc2ccccc2C)n1N=Cc1ccc(Cl)c(Cl)c1 2329502964 UKZSPBKKQZXVGS-UHFFFAOYSA-N 433.408 6.063 30 10 IKEE Clc1ccc(C=Nn2c(CCc3cccs3)nnc2SCc2ccccc2)cc1 2329663708 ZLSDGUQHLWKNNU-UHFFFAOYSA-N 439.009 5.953 30 10 IKEE CCCSc1nnc(Cc2ccc(C)cc2)n1N=Cc1cc(Br)ccc1F 2330015442 JPLBIUJFDFDZQG-UHFFFAOYSA-N 447.377 5.463 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(F)cc1 2330078398 YCOQTUSRCRTTPN-KRWDZBQOSA-N 434.515 5.883 30 10 IKEE CC(=Cc1cccc(Cl)c1)C(=O)N[C@H](C(=O)Nc1ccc(C#N)cc1)c1ccccc1 2330518938 KJBBDQQKCCUGDH-QHCPKHFHSA-N 429.907 5.111 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)cc3)c([N+](=O)[O-])c2)cc1 2330749838 ORFIYOJNKPZIHK-UHFFFAOYSA-N 429.472 5.510 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)cc([N+](=O)[O-])c1OC(=O)c1cccnc1 2330752751 HAJMIDDFUDWVGG-UHFFFAOYSA-N 446.459 5.066 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc(C=CC(=O)c2cccc(Br)c2)cc1 2330994198 YCVIGWZCQBWAEE-UHFFFAOYSA-N 427.338 6.221 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CCCC2)cc1O 2331077883 IRAVICTULARIDO-UHFFFAOYSA-N 442.972 5.478 30 10 IKEE C=CCSc1nnc(C2CCCC2)n1N=Cc1ccc(OCCCCCC)c(OC)c1 2331081225 JTOULFMIIAUIBT-UHFFFAOYSA-N 442.629 6.064 30 10 IKEE Fc1ccccc1C=Nn1c(SCc2cccc3ccccc23)nnc1C(F)(F)F 2331149835 AJAHQAGTQWUNFR-UHFFFAOYSA-N 430.430 5.764 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(F)c3)c([N+](=O)[O-])c2)cc1 2331201201 ZZGZDHNKFOHEGF-UHFFFAOYSA-N 435.407 5.248 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(Cl)cc1Cl 2331376161 JPAXPEIRWVIOKS-UHFFFAOYSA-N 437.371 6.196 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(C(C)(C)C)n2N=Cc2ccc(CC)cc2)o1 2331393654 BDOMMVGVQNPTGN-UHFFFAOYSA-N 440.569 5.082 30 10 IKEE COCCC(=O)Oc1ccc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc1Cl 2331575108 GKDYJVIAVLYFHV-UHFFFAOYSA-N 430.928 5.618 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)cc(OC)c1OC(=O)CC 2331637682 FBXIPMDBVBBDKG-UHFFFAOYSA-N 449.330 5.951 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)cc3)cc2)c2ccccc12 2331864282 LCIUKSAMKPJLIL-UHFFFAOYSA-N 442.898 6.617 30 10 IKEE CC#CCN(C[C@@H](NCCC)c1c(Cl)cccc1Br)C(=O)OC(C)(C)C 2337916574 TXAPAKDYBQJFAN-QGZVFWFLSA-N 443.813 5.404 30 10 IKEE C[C@@H]1CC[C@H](CSCc2ccc(B3OC(C)(C)C(C)(C)O3)c(Br)c2)C1 2349809599 PDVKAEMXMSVTGU-CABCVRRESA-N 425.241 5.418 30 10 IKEE CC(C)c1ncccc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2367980358 IFYBLPYICQDEBK-SFHVURJKSA-N 430.346 5.974 30 10 IKEE COc1ccc(C(=O)COc2ccc3c(c2)O/C(=C/c2c(F)cccc2Cl)C3=O)cc1 2410844 GATAVEFWMRFZKW-FSJBWODESA-N 438.838 5.366 30 10 IKEE N#Cc1ccccc1Cn1c(=O)c2ccccc2n2c(=S)sc(-c3ccccc3)c12 20378526 YLNFYRUQHWANPE-UHFFFAOYSA-N 425.538 5.632 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccncc2)cc1 21224297 XGAHVNQWMLXCDN-CCLHPLFOSA-N 425.532 5.850 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc(-c3cccc(-c4ccc5c(c4)OCCO5)n3)c2)c1 25142425 HNUDNGIAPRCLIO-UHFFFAOYSA-N 433.467 5.311 30 10 IKEE C=CCN(C)C(=O)c1ccc(-n2nc(C(=O)OCC)cc2-c2ccc3ccccc3c2)cc1 25142883 WBRCHYNDYCBPAB-UHFFFAOYSA-N 439.515 5.127 30 10 IKEE CCn1cc(/C(O)=N/c2nc(-c3ccc(Cl)cc3)cs2)c(=O)c2cc(F)ccc21 32607477 YUQQJXZSUIYLTM-UHFFFAOYSA-N 427.888 5.574 30 10 IKEE Cc1cc(C)cc(C(=O)/N=C(/NCc2c(C)nn(C)c2C)Nc2cccc(Cl)c2C)c1 32972555 DEULWCAZSMUMCW-UHFFFAOYSA-N 437.975 5.014 30 10 IKEE CCN(CC)c1ccc(/C=N/c2nc3ccccc3n2Cc2ccc(C(C)(C)C)cc2)cc1 33636913 DIHFALBCGHHOLC-TWKHWXDSSA-N 438.619 6.979 30 10 IKEE C=CCNC(=O)c1cc(-c2csc(-c3ccccc3Cl)n2)n(CCCOC)c1C 34772280 SXUKENGPQMHFGR-UHFFFAOYSA-N 429.973 5.193 30 10 IKEE C=CCC[C@H](O)CN(CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1 36302904 UABWIEOZAYPQEW-QHCPKHFHSA-N 449.595 5.003 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O)c1ccccc1Cl 38320834 FFFVITKACHGKQS-JAIQZWGSSA-N 445.685 6.482 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc4c(c1)OCO4)C3=O)CN([C@H](C)c1ccccc1)CO2 41588823 JQIIFOKJBSMCTL-BYRCZEICSA-N 441.483 5.253 30 10 IKEE O=C1/C(=C/c2ccc(F)cc2)S/C(=N/N=C\C=C\c2ccccc2)N1Cc1ccco1 47138733 IZTCHOWDWBLWMD-DBIZZOAXSA-N 431.492 5.590 30 10 IKEE Clc1ccccc1CSc1n[nH]c(N/N=C/c2ccccc2OCc2ccccc2)n1 59019169 KLZBNGQKHIENKB-AFUMVMLFSA-N 449.967 5.775 30 10 IKEE CC(C)(C)c1ccc(-c2nc(SCc3c(F)cccc3Cl)nc(O)c2C#N)cc1 96454620 ROXPNQICHHIFJQ-UHFFFAOYSA-N 427.932 6.103 30 10 IKEE Cn1c(=O)c(C(=O)/C=C\c2ccc3c(c2)OCO3)c(-c2ccccc2)c2cc(Cl)ccc21 98002151 JMWNMWSRARGPOF-XFFZJAGNSA-N 443.886 5.484 30 10 IKEE O=C(Nc1ccccc1)[C@H]1CC(=O)N(Cc2ccc(Cl)cc2)/C(=N/c2ccccc2)S1 100400465 WTJVRPJRYKCSIW-LQUAGZSJSA-N 449.963 5.501 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)S/C1=N/c1cccc(C)n1 101125546 JOXPRCMAEHQNSO-BBWXTVSKSA-N 434.477 5.182 30 10 IKEE CCCCCCCCn1c([C@@H](C)NC(=O)COc2ccc(Cl)cc2)nc2ccccc21 102128813 XPDBXBFPMROGNT-LJQANCHMSA-N 442.003 6.306 30 10 IKEE CCCCCCCCCn1c(CCCCCNC(=O)c2cccs2)nc2ccccc21 102180091 XBHYBXDBPNSNRR-UHFFFAOYSA-N 439.669 6.991 30 10 IKEE CCCCCCCCCCCCn1c(CNC(=O)c2ccc(C)cc2C)nc2ccccc21 102217092 QONPVUDURFIZDF-UHFFFAOYSA-N 447.667 7.504 30 10 IKEE CCCCCCCN1C(=O)[C@H](CC)Oc2ccc(-c3csc(-c4ccccc4)n3)cc21 103748903 FXDFMIXTEVLIQW-QHCPKHFHSA-N 434.605 6.952 30 10 IKEE CCCn1c(-c2cc(Br)c(Br)s2)nc2cc(C#N)ccc21 128587419 GHEMNLPKJGHTHJ-UHFFFAOYSA-N 425.149 5.571 30 10 IKEE CCCCCCCOc1ccccc1/C=N\Nc1nc(-c2ccc(OC)cc2)cc(=O)[nH]1 169897258 IRNRARPVDGEILT-ITYLOYPMSA-N 434.540 5.241 30 10 IKEE Cc1ccc(-c2csc(N/N=C\c3ccc(OCc4ccccc4)c(Cl)c3)n2)c(C)c1 169940186 HMXHYOBWCMHPLP-VYYCAZPPSA-N 447.991 7.105 30 10 IKEE CCCCCCCCCOc1ccc(-c2nc3cccc4cccc([nH]2)c43)cc1OCC 169942542 WDXKFMVHBFCZMT-UHFFFAOYSA-N 430.592 7.911 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccccc2)c1 170036386 BDXLRNWCCYNMNL-HSZRJFAPSA-N 431.463 5.316 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2cccc(O)c2)cc1 170080716 WAMRRKZTPAUJRY-XMMPIXPASA-N 443.499 5.191 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccnc2)ccc1OC(C)C 170184978 UPMYYOZCHUVHHL-QHCPKHFHSA-N 446.478 5.099 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCC)cc1 170216167 UFMDSCRYHMSXER-RUZDIDTESA-N 443.543 6.007 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2)cc1 170221801 OKWIXWQWWYLHLK-HSZRJFAPSA-N 447.556 5.561 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccco1 170290137 TYJSJVNQIDJNBH-IBGZPJMESA-N 428.271 5.678 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccco2)c1 170296510 MMDAALLXTUAIRT-XMMPIXPASA-N 439.467 5.220 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccco2)c1 170296991 RVKBZTJBTUBMMT-XMMPIXPASA-N 445.515 5.462 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2sccc2C)cc1 170315191 OTZYKGWJNDSDHN-IBGZPJMESA-N 434.473 5.056 30 10 IKEE CCN(CC)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(O)cc2)cc1 170339060 MGNJDVGJYICMEA-XMMPIXPASA-N 442.515 5.021 30 10 IKEE CCCCCCCC[C@@H](CCCCCC)C(=O)Nc1cc(Cl)c(CC)c(Cl)c1O 196160299 WXFPXDRPOSTDEF-GOSISDBHSA-N 444.487 8.537 30 10 IKEE O=C(CCn1c(-c2cccs2)n[nH]c1=S)Nc1cccc(C#Cc2ccccc2)c1 247799661 UFYINZAYKRNTSP-UHFFFAOYSA-N 430.558 5.098 30 10 IKEE COc1ccc(CN2C(=O)/C(=C/c3ccccc3[N+](=O)[O-])SC2=Nc2ccccc2)cc1 252625935 QSHQBXVYRIWIJZ-IBORXNHRSA-N 445.500 5.408 30 10 IKEE CCc1ccccc1N=C1S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C(=O)N1C 254307062 FPTGZPMOTJGPMO-OJVQYLDISA-N 447.516 5.959 30 10 IKEE C=C(CC[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)C(C)C 257620565 XHFAXVFEJWTPSR-VLGGULAFSA-N 446.672 5.067 30 10 IKEE CCCCCCC[C@H](C=O)/C(=N/N)c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1 514278211 RYTMKQMUVXSLFS-QNAXDZHFSA-N 449.378 6.051 30 10 IKEE Cc1c([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c2ccccc2n1C 526488643 KXLWYGOXRVYFPL-VWLOTQADSA-N 437.474 5.555 30 10 IKEE Cc1ccc([C@H]2C(c3ccc(Cl)cc3Cl)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526490340 MIGLNCHVHYUCDU-QFIPXVFZSA-N 435.310 6.231 30 10 IKEE COc1ccc(OC)c([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2C#N)c1 526606975 QYTWXTTTYNLTPH-QHCPKHFHSA-N 446.890 5.286 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2cccc3ccccc23)[C@H]1c1ccc([N+](=O)[O-])cc1 526610298 LMPTZKHQQWGNQX-RUZDIDTESA-N 447.450 5.677 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccccc2Cl)cc1 526806221 ZSMQKMIDNUNQLI-PKAZHMFMSA-N 447.007 6.200 30 10 IKEE Oc1ccccc1/C=N\n1c(Cc2ccccc2)nnc1SCc1ccc(Cl)cc1 526807785 CAYJYXBSILZNLB-MYYYXRDXSA-N 434.952 5.402 30 10 IKEE Cc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccc(Cl)c([N+](=O)[O-])c1 526816848 DQHRGNOIATXPGJ-WNFQYIGGSA-N 440.287 5.115 30 10 IKEE CC(C)c1ccc(/C=C/C(=O)[C@H]2C[C@H](NC(=O)c3cc(Cl)cc(Cl)c3)CCN2)cc1 585854818 WVJBCMQAAJWWQD-BQCCJQEYSA-N 445.390 5.250 30 10 IKEE N#Cc1cccc(C(=O)Oc2cccc(NC(=O)N3CCC(Cc4ccccc4)CC3)c2)c1 586525010 FOEQOPSOUGRRJZ-UHFFFAOYSA-N 439.515 5.264 30 10 IKEE CC(=Nn1c(-c2cccc(Cl)c2)csc1=Nc1cc(C)ccc1C)c1ccc(C)cc1 606348004 CRAPSIQEFGVIMC-UHFFFAOYSA-N 446.019 7.300 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1ccc(F)c(F)c1F 693448914 MZZPRJWVIQNAHX-HNNXBMFYSA-N 441.247 5.873 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@](C)(C#N)Cc1ccc(Br)cc1 698823658 HGBLTQGJWINSAT-HXUWFJFHSA-N 435.387 5.773 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2cc(Br)c(C)s2)c1 710719791 PHYNRZPSOJEOLV-MRXNPFEDSA-N 437.359 5.834 30 10 IKEE Cc1nc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)sc1Br 719321444 GKZVYDDIGNDJKV-CYBMUJFWSA-N 442.766 5.874 30 10 IKEE Clc1ccc(COc2ccccc2C=NNc2nc(SC3CCCC3)n[nH]2)cc1 1083968643 GHGWCRQUAHSHKK-UHFFFAOYSA-N 427.961 5.518 30 10 IKEE CCCCc1ccc(NC(=O)c2oc3c(c2C)C(=NNc2ccc(F)cc2)CCC3)cc1 1772750105 XQDIMOOVWNXBNJ-UHFFFAOYSA-N 433.527 6.475 30 10 IKEE Cc1c(C(=O)Nc2cccnc2)oc2c1C(=NNc1cccc(C(F)(F)F)c1)CCC2 1772750572 DFRBHOVVAFTRLJ-UHFFFAOYSA-N 428.414 5.407 30 10 IKEE CCc1sc2nc(O)n(Cc3cccc(C#N)c3)c(=O)c2c1-c1ccc(C(C)(C)C)cc1 1857805090 AKBQXIOEYUPEJR-UHFFFAOYSA-N 443.572 5.610 30 10 IKEE Cc1ccc(NC(=S)N/N=C\c2cn(-c3ccc(C)cc3)nc2-c2cccs2)cc1 1857812118 UIFPBQLLVKOJQC-OYKKKHCWSA-N 431.590 5.538 30 10 IKEE CC(C)(C)c1ccc(NC(=O)c2nc(C(=O)Nc3ccc(C#N)cc3)n3ccccc23)cc1 1858241759 CKIXTWLFQQFEMR-UHFFFAOYSA-N 437.503 5.008 30 10 IKEE CC(C)Cc1c(Cl)c(C(=O)Nc2ccccc2C#N)nn1Cc1ccc(C(C)(C)C)cc1 1859378837 DRTGWDCTGDLNNI-UHFFFAOYSA-N 448.998 6.205 30 10 IKEE CCOc1ccccc1-c1csc(SCC(=O)Nc2sc3c(c2C#N)CCC3)n1 1860809770 KQJZWXSZDHJCPV-UHFFFAOYSA-N 441.603 5.361 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)CCCOc1ccc(CC)cc1 1861710723 QQKQSSCFSJLRLM-VWLOTQADSA-N 446.676 5.950 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccccc2Cl)cc1 1862391431 AFAPNSOAAUQHDT-QFIPXVFZSA-N 425.956 5.917 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@@H]2c2ccc(N(C)C)cc2)cc1 1862395227 PDBQFHRCEXKIFU-XMMPIXPASA-N 434.580 5.474 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 1862398436 XYSYASPEZUOACR-RUZDIDTESA-N 447.619 6.705 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@H]1c1ccccc1F)c1ccc(F)cc1F 1862411305 DOTKEWXQWUMPKG-QFIPXVFZSA-N 441.449 5.573 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccccc1[N+](=O)[O-] 1862436672 ZCFBIZVNKPCRLD-FQEVSTJZSA-N 442.899 5.407 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccccc2C(=O)O)cc1 1862477028 HSJAZGQXUPVKIC-HSZRJFAPSA-N 447.531 5.384 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 1862478847 SAHYAMDMLLUZFF-HXOBKFHXSA-N 442.471 5.243 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)ccc1O 1862481561 GHLREFUNCWNLLF-WSCWJOSJSA-N 449.547 5.256 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccccc2F)c1 1862489841 IQCYYBFPBNZFKE-UUOWRZLLSA-N 429.491 5.782 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccco2)cc1 1862592443 CZXXINOAAAHEQG-QFIPXVFZSA-N 431.488 5.061 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccc(C)cc2)cc1F 1862637095 UGEFKAZNBMCSIB-DEOSSOPVSA-N 449.522 5.612 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1Cl 1862675783 UAUZERAHOCTQTK-QRQCRPRQSA-N 435.882 5.819 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(CC)cc1 1862703704 XTBAFWFDNUIQAD-RDGATRHJSA-N 449.591 6.195 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C2CC2)cc1 1862721776 RRNBVKCZPKNUJV-RUZDIDTESA-N 441.527 5.759 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1c(F)cccc1Cl 1862756379 NMCLFOLZSOMNAW-IBGZPJMESA-N 446.862 5.156 30 10 IKEE N#Cc1cnn(-c2ccccc2F)c1NC(=O)[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21 1865878643 PCCDXMLXKDGRPN-INIZCTEOSA-N 433.874 5.076 30 10 IKEE N#Cc1ccc(Nc2cc(N3CCc4ccc([N+](=O)[O-])cc43)nc(-c3ccccc3)n2)cc1 1868376429 MFKQNUIQEZLIRJ-UHFFFAOYSA-N 434.459 5.361 30 10 IKEE C=CCN(CC=C)C(=O)[C@@](C)(CC)NC(=O)[C@H](c1ccc(Cl)c(Cl)c1)C(C)C 1868862373 ULYODOUTXAWHGM-SIKLNZKXSA-N 425.400 5.219 30 10 IKEE CC(C)(C)c1cccc(-n2nnc(C#N)c2NC(=O)/C(=C\c2ccccc2)c2ccccc2)c1 1870142160 CZUCMDPJCJUMNU-ULJHMMPZSA-N 447.542 5.616 30 10 IKEE CCCCCCCCC(=O)Nc1c(C#N)nnn1-c1ccc(OCc2ccccc2)cc1 1870159603 MBCAIQQULZOOFF-UHFFFAOYSA-N 431.540 5.407 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccccc2C)cn1Cc1cccc(C)c1 1870627115 AEBRFIJWDVGCQM-UHFFFAOYSA-N 428.576 5.266 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(C)cc2)c(=O)cc1CN(C)CCCC 1870770361 IIFDUCLYPZTPLE-UHFFFAOYSA-N 426.645 6.328 30 10 IKEE C=CCOc1cn(CCCCc2ccccc2)c(CNc2cccc([N+](=O)[O-])c2C)cc1=O 1870811908 KMCRLBDJHCWDSI-UHFFFAOYSA-N 447.535 5.265 30 10 IKEE CCCCCCCOc1cn(CC(C)C)c(CNc2cccc([N+](=O)[O-])c2C)cc1=O 1870831582 GFCUUHYBPTYXPW-UHFFFAOYSA-N 429.561 5.682 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(C)cc2)c(CNc2cccc(F)c2)cc1=O 1870839534 OMRCMUONZLUBEL-UHFFFAOYSA-N 436.571 6.305 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O3)CN([C@H]1CCCC[C@@H]1C)CO2 1871351381 XNGDXWUEBJXMMV-YZJIZMNFSA-N 431.576 6.465 30 10 IKEE CCc1ccc([C@@H](C)N2COc3ccc4c(c3C2)O/C(=C\C=C\c2ccccc2)C4=O)cc1 1871354347 NYAFDENCJFPZRA-BADVVJACSA-N 437.539 6.335 30 10 IKEE Cc1c(OC(=O)CCCOc2ccccc2)ccc2c1O/C(=C\C=C\c1ccccc1)C2=O 1871371282 OLCJZEVCQZHJLI-SKKQBINNSA-N 440.495 5.932 30 10 IKEE Cc1c(OC(=O)c2ccc([N+](=O)[O-])cc2)ccc2c1O/C(=C\c1cccc(Cl)c1)C2=O 1871371348 VBNWYHSAGYFBRK-NDENLUEZSA-N 435.819 5.392 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O 1871371742 GKYGNNYJAFAKRY-FBHDLOMBSA-N 443.257 5.897 30 10 IKEE COc1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871376844 HAODFWLBGZVSPL-OLBJXSACSA-N 438.479 5.795 30 10 IKEE CC(C)OC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871404592 LBVZJGIIZGDMON-CFRMEGHHSA-N 432.447 5.586 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2)C3=O)cc1Cl 1871412390 YWLDQUHLSWFNAF-WQKDKYNYSA-N 449.890 5.371 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc(Cl)c4C)ccc3C2=O)cc1 1871427297 XEMISZCFSPVWTI-FMCGGJTJSA-N 433.891 5.591 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1ccc2c(c1C)O/C(=C\c1cccc(F)c1)C2=O 1871429244 NFCQSOGMKIGFLQ-BNDVRQRFSA-N 440.511 6.031 30 10 IKEE Cc1ccc(NC(=O)CCOc2ccc3c(c2C)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871433068 VMDKTHMXDFUVRU-XAABERSQSA-N 439.511 5.883 30 10 IKEE Cc1c(OCc2cccc3ccccc23)ccc2c1O/C(=C\c1ccc3c(c1)OCO3)C2=O 1871433924 JEQFKUXKTSAABD-WGARJPEWSA-N 436.463 6.072 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccc(C(C)C)cc4)c3C)C2=O)o1 1871435725 ZVRSKJUGKZIFSX-QRVIBDJDSA-N 431.488 5.654 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C(C)(C)C)cc4)ccc3C2=O)o1 1871445069 IGSZWSUCIBZQQD-UCQKPKSFSA-N 431.488 5.519 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc(OCCc4ccc(OC)cc4)c3C)C2=O)cc1 1871448039 IHPUIBMSCPMTCO-UQQQWYQISA-N 430.500 5.640 30 10 IKEE CCc1ccccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1sccc1C)C2=O 1871459695 YBAMCGDFDREAIT-BKUYFWCQSA-N 433.529 5.561 30 10 IKEE Cc1ccc2oc(=O)cc(COc3ccc4c(c3)O/C(=C\c3sccc3C)C4=O)c2c1 1871460626 WOZXZJZYXRHWTB-UUYOSTAYSA-N 430.481 5.667 30 10 IKEE C=CCN(CC=C)c1nc(=NCc2ccc(C)cc2)nc(Nc2ccc(C(C)C)cc2)[nH]1 1871506153 VVFLYTCAGGVPEW-UHFFFAOYSA-N 428.584 5.259 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(Cl)cc2)[nH]c(N(CC)CCCC)n1 1871524211 XIKYGYLICCJQJM-UHFFFAOYSA-N 433.044 6.089 30 10 IKEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1cc(C)ccc1C 1872079800 TXDGHKQLADSVTE-HSZRJFAPSA-N 442.625 5.096 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cccc(Cl)c1)c1ccccc1)S(=O)(=O)CCCC 1872234615 ACYGGOSIJCPTLU-OAQYLSRUSA-N 434.989 5.028 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 1872249069 ISCHFMZSXNPEAG-OAQYLSRUSA-N 434.989 5.023 30 10 IKEE N#C[C@@H](C(=O)CCCOc1ccccc1Cl)c1nc(-c2cccc(Cl)c2)cs1 1872766468 KBPYWJKWEGJGCB-INIZCTEOSA-N 431.344 6.152 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1F 1872775600 VEYYADNZGKISLV-ZDUSSCGKSA-N 431.832 5.009 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C)c2C)cc2c(NCCc3ccccc3)ncnc21 1873607688 YRWOXOWSJQWPHC-UHFFFAOYSA-N 425.536 5.141 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(N3CCCC3)cc2)cc2c(N(CC)CCCC)ncnc21 1873654372 AFBQFXROZAMXGU-UHFFFAOYSA-N 446.599 5.096 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1cccs1 1874204968 CQVAHFKYGKDVJN-KEBDBYFISA-N 427.382 5.610 30 10 IKEE CSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1cn(C)c2ccccc12 1874233305 BTZNDDIYHMSKIA-WGOQTCKBSA-N 425.561 5.312 30 10 IKEE CCCCC1CCC(c2nnc(SC)n2/N=C/c2c(Cl)cccc2Cl)CC1 1874285895 DQISLTBKVLPEBH-YDZHTSKRSA-N 425.429 6.653 30 10 IKEE Cc1cccc(OCc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccncc2)c1C 1874324096 XYBCYGKVQPLZOF-MZJWZYIUSA-N 447.539 5.183 30 10 IKEE Fc1ccccc1CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccncc1 1874342334 KXTDDXXJDBUONU-VULFUBBASA-N 437.931 5.231 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCc3cccc(F)c3)nnc2[C@@H](C)c2ccccc2)c1 1874394170 ZYQKDCKZRUIILL-FLOSOGMCSA-N 446.551 5.758 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2)n1/N=C/c1ccc(O)cc1O 1874395287 JAAMYJKTTKYWNO-STPJHCLOSA-N 430.533 5.016 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCc3ccccc3)nnc2[C@@H](C)c2ccccc2)cc1 1874395462 NEEIWQNJXQPYLE-PWIYWSIBSA-N 440.616 6.728 30 10 IKEE Fc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCc2cccc(Cl)c2)cc1 1874414579 ZIXWSSDJXVHSMI-ZMOGYAJESA-N 442.972 5.897 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@H]3CCCO3)n2/N=C/c2c[nH]c3ccccc23)c1 1874446085 SFOBZHDWXLBPAQ-MNVTYAKESA-N 431.565 5.402 30 10 IKEE Brc1ccc(/C=N/n2c(SCc3ccccc3)nnc2[C@@H]2CCCO2)cc1 1874447200 VSTFTTFAIGLUBQ-ZFJBLLOBSA-N 443.370 5.067 30 10 IKEE CCOc1cc(/C=N/n2c(SCC)nnc2C(C)(C)C)ccc1OCc1ccccc1 1874482679 XQSBUCBZUIJIDE-PCLIKHOPSA-N 438.597 5.548 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2ccc(C(C)C)cc2)c1 1874516328 RLOVOEBOJQMMRN-AFUMVMLFSA-N 433.581 5.200 30 10 IKEE Cc1cccc(CSc2nnc(C3CC3)n2/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 1874516365 UEAMUYPFCOTKSY-SSDVNMTOSA-N 427.917 5.200 30 10 IKEE CC(C)(C)Cc1nnc(S)n1/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1874560476 ZHGVWDJFQBPNTG-WYMPLXKRSA-N 449.407 5.923 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccccc2Cl)c1OCc1ccccc1Cl 1874574827 HYJFVUCJEHLTRE-ZHACJKMWSA-N 447.745 7.131 30 10 IKEE C=CCOc1c(/C=C/C(=O)c2ccc(OC)c(Cl)c2)cc(Br)cc1OC 1874591159 VZANHZSGAMDLBT-FNORWQNLSA-N 437.717 5.581 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCCc1ccccc1 1874610437 SHOVNJVGQUSURG-XNTDXEJSSA-N 443.499 5.850 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(OC)c1OCC(=O)OCC(C)C 1874612823 NWWIDSXIHOVWNU-JXMROGBWSA-N 444.474 5.176 30 10 IKEE COC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1OC 1874615797 QVABFYCOPMBZNZ-ZZXKWVIFSA-N 429.683 5.103 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCc3cc(C)ccc3C)c([N+](=O)[O-])c2)cc1 1874617097 JPFJPBTZCLTZSP-NTUHNPAUSA-N 445.515 6.476 30 10 IKEE C=CCOc1c(Br)cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1OCC 1874626388 CEBROHIUDFXLPQ-CSKARUKUSA-N 445.353 5.934 30 10 IKEE CCCOc1c(OCC)cc(/C=C/C(=O)c2cc(OCC)ccc2OCC)cc1[N+](=O)[O-] 1874630193 PKKQVJDJOLFMAT-PKNBQFBNSA-N 443.496 5.476 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2cccc3ccccc23)c1)c1ccc(Cl)cc1Cl 1874695676 NLNJXLAOFLOZAV-SDNWHVSQSA-N 447.317 7.262 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OC(=O)c1ccc(C(C)(C)C)cc1 1874701430 SAYNNKKPUIYVII-OVCLIPMQSA-N 442.555 6.725 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OC(=O)Cc1ccc(C)c(C)c1 1874709942 QKOSHLJNAQUGHR-UXBLZVDNSA-N 436.454 5.634 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OC(=O)CCc1ccccc1 1875110653 VJDFGCSITCIHHI-NTCAYCPXSA-N 434.919 6.173 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)c1cccc(F)c1 1875111415 ICBNJIXCALHBQT-MDZDMXLPSA-N 445.273 6.256 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OCC(C)C)cc3)cc2)cc1 1875112853 RDHCUTWIRKYGSM-UBKPWBPPSA-N 430.500 5.845 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc([N+](=O)[O-])c1OC(=O)Cc1ccc(F)cc1 1875126838 DNRSIVUIPGCSQR-JLHYYAGUSA-N 449.434 5.177 30 10 IKEE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1 1875127549 LQBMKDVZUNKEEG-LRFDDAOPSA-N 441.310 6.262 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1cnc(C)cn1 1875170412 WKLVQCUEMXHDNL-VQHVLOKHSA-N 430.504 5.143 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccccc2F)c([N+](=O)[O-])c1 1875170758 OVEPMTMIGMLXIE-CSKARUKUSA-N 449.434 5.475 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)c(C)c1 1875182569 KAEDPDZXSSXCNO-KPKJPENVSA-N 429.472 5.944 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1C 1875187101 RVPVVFMHZSZRHY-CXUHLZMHSA-N 442.555 6.725 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)ccc1OC(=O)c1ccccc1F 1875194025 IZRUUELTQIUSRP-JXMROGBWSA-N 440.854 5.612 30 10 IKEE Cc1c(Cl)cccc1NC(=O)C1CCN(c2oc(-c3cccs3)nc2C#N)CC1 1890476918 SFDRGQAMYXVPCQ-UHFFFAOYSA-N 426.929 5.092 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)C3(c4ccc(Cl)cc4)CCC3)cc21 1890571687 RTXGGGGXMPJCII-UHFFFAOYSA-N 438.955 5.338 30 10 IKEE C[C@@H](C(=O)N1CCC[C@H](COc2cc(C#N)ccn2)C1)c1ccc(-c2ccccc2)c(F)c1 1891452347 YEWAMPBJEUEWNH-CTNGQTDRSA-N 443.522 5.180 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cc(Cl)nc4ccccc34)ccc21 1891997533 ANDUQGFHGAAWRD-UHFFFAOYSA-N 435.911 5.078 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Cl)cc1Br 1898789639 UIBYBRJYHMYDAZ-MSOLQXFVSA-N 445.829 6.003 30 10 IKEE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCC#N)CC(C)(C)C 1901534019 FIMJZHQBUIYDPE-XMMPIXPASA-N 447.579 5.092 30 10 IKEE CCC1(NC(=O)OC(C)(C)C)CC(C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 1947417090 GQYASLDKPZXWLD-UHFFFAOYSA-N 433.524 5.297 30 10 IKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)C1(C#N)CCC2(CCCN2C(=O)OC(C)(C)C)CC1 2002570884 MDRGVEABURGPOL-WZFBRQLOSA-N 435.609 5.628 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@@]1(C#N)CCN(Cc2ccccc2)C(C)(C)C1 2022265261 WTAWMOSNWACRKP-QHCPKHFHSA-N 426.565 5.261 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@H](C#N)c1cc(Cl)cc(Br)c1 2027902099 UREFOTRBCHTJCJ-KRWDZBQOSA-N 427.770 6.237 30 10 IKEE CC1(C)OB(c2ccc(C(F)(F)F)c(N(Cc3ccccc3)CC3CC3)c2)OC1(C)C 2052616733 UJPHIFDEWKGIKY-UHFFFAOYSA-N 431.307 5.421 30 10 IKEE Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)C=Cc1ccc(F)cc1Cl 2053657628 PUBOUOMYFKEKMT-UHFFFAOYSA-N 436.313 7.552 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@H](C#N)[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2073119203 QNYVGZDFJAVXFU-QUCCMNQESA-N 449.636 5.874 30 10 IKEE CC1([C@@H](c2ccc(C(F)(F)F)c(F)c2)n2nc(C(F)(F)F)c(C=NO)c2Cl)CC1 2079846016 WXNOVAVGADCRBB-CYBMUJFWSA-N 443.750 5.911 30 10 IKEE Cc1cc(O)c([C@@H](C2CCC2)n2nc(C(F)(F)F)c(C#N)c2Br)cc1C 2080043533 WDKRRPGECMRQID-OAHLLOKOSA-N 428.252 5.248 30 10 IKEE CCOc1ccc([C@@H](C(C)C)n2nc(C(C)C)c(C#N)c2I)cc1 2080089155 UVOXKTGQBJBONH-GOSISDBHSA-N 437.325 5.127 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CC[C@H](P(C)(C)=O)C1 2104502585 XXKRWMNDDRWIRF-IFXJQAMLSA-N 441.306 5.628 30 10 IKEE Clc1ccc(N=C2NC3(CCCCC3)CS2)c(Cl)c1I 2150345301 HOYNGTJGYJBYQI-UHFFFAOYSA-N 441.165 5.625 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](CNc2ccc(C#N)cc2Br)(C(C)(C)C)C1 2162291976 SSYKPZGFAUNDMU-NRFANRHFSA-N 436.394 5.406 30 10 IKEE CC(C)(C)OC(=O)N1CCc2ccc(Nc3cc(Br)ccc3C#N)cc2C1 2162418318 PSFIYRXKRIPSLQ-UHFFFAOYSA-N 428.330 5.358 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(F)cc(CNc2cc(Br)cc(F)c2C#N)c1 2163710012 BBBDHINYHGCRSR-UHFFFAOYSA-N 438.272 5.558 30 10 IKEE CC(C)(C#N)CCCN(CCCNC(=O)OC(C)(C)C)c1cccc(Br)c1 2165172536 UWCOQGDCNZAXBM-UHFFFAOYSA-N 438.410 5.500 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(CCCNc2cccc(Br)c2C#N)cn1 2169165182 XZPVHFNISMZVCP-UHFFFAOYSA-N 431.334 5.107 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCC)c2c(F)cc(C)cc2Br)C1 2183008491 PSLZOEYLYJTLBF-GOSISDBHSA-N 441.385 5.408 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1OCc1cccc(Br)c1Cl 2197494542 PBNKJNGWWWEIAH-UHFFFAOYSA-N 437.570 5.289 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C)(CNc2cc(Br)cc(F)c2C#N)CC1(C)C 2236750842 LJPUGEACXDTTSX-HXUWFJFHSA-N 440.357 5.297 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 2248877721 GXFXTYZPSWAELF-SPMMERNZSA-N 433.593 5.142 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2sc(Br)c(C)c2C)cc1 2265884309 PUNRTNXNLHEBSP-INIZCTEOSA-N 435.387 6.442 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)c1sc(Cl)cc1Br 2288320327 LCFCNZPFIHLFFV-CYBMUJFWSA-N 433.596 5.629 30 10 IKEE CCN[C@H](CC#CC1CCCC1)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2289841142 ABNURDITFZPDGW-HXUWFJFHSA-N 435.406 6.030 30 10 IKEE C=CCC[C@H](C)[C@H](OCCC(=O)O)c1scc(Br)c1Br 2291032866 KWHRJTKVSJEDIC-ZANVPECISA-N 426.170 5.408 30 10 IKEE CCC[C@]1([C@H](N)C#Cc2ccc(Br)cc2)CCCCN1C(=O)OC(C)(C)C 2296310745 NGRZVFYDJFNTAF-DENIHFKCSA-N 435.406 5.088 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)cc1 2314437430 MDHFDZWHPWSKMH-UHFFFAOYSA-N 443.455 5.728 30 10 IKEE O=C1C(=Cc2ccc3c(c2)OCO3)SC(=Nc2ccncc2Cl)N1c1ccccc1 2314543004 SMWIYOMEQYBEHA-UHFFFAOYSA-N 435.892 5.272 30 10 IKEE Cc1cccc(O)c1N=C1NC(=O)C(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)S1 2314557151 PFOAMYVXXDXRPZ-UHFFFAOYSA-N 445.327 6.159 30 10 IKEE Cc1c(OCc2cccc(Cl)c2)ccc2c1OC(=Cc1ccc(Cl)cc1Cl)C2=O 2321764118 PFAJENLQKPKOQS-UHFFFAOYSA-N 445.729 7.150 30 10 IKEE O=C1C(=Cc2cccc(Cl)c2)Oc2c1ccc1c2CN(CCOc2ccccc2)CO1 2322038256 WJMFMUCVZMAQJA-UHFFFAOYSA-N 433.891 5.187 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2cc(C)ccc2C)cc1 2322399059 BNJPVFOJQJMJDE-UHFFFAOYSA-N 432.991 7.775 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1C 2322484030 DPZBMIQPJYENBV-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C)cc2)c1OCc1ccc(Cl)cc1Cl 2322601370 KSTCJSPHWNKBCV-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OC(=O)c3ccc(OC)cc3)cc(C)c2C1=O 2322687776 OFPVSMTZQZMZHA-UHFFFAOYSA-N 430.456 5.238 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(C)c2)C3=O)c1 2322806876 DAROASRCHSCVDQ-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccccc2OCC(=O)Nc2c(C)cccc2C)c1C 2322836685 QKAMJYZDTZSNRX-UHFFFAOYSA-N 441.571 6.451 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1Cl)C2=O)c1cccc(Cl)c1 2322906411 NEEPHKJYQXSTCO-UHFFFAOYSA-N 445.685 6.482 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3ccccc3F)c2)cc1C 2323078794 XKJNPKONSPWCAJ-UHFFFAOYSA-N 449.478 5.065 30 10 IKEE CCN(CC)C(=O)COc1cccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)c1 2323247402 UEWGBQNYBRTXMN-UHFFFAOYSA-N 429.516 5.622 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2cccc(OCC(=O)N[C@@H](C)c3ccccc3)c2)c1C 2323259510 QNVSSMBOAPNLKG-QHCPKHFHSA-N 441.571 6.073 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(OC)c(OCc3ccc(F)cc3)c(OC)c2)cc1 2323536817 QIBDDLQJKUNBOX-UHFFFAOYSA-N 448.534 6.661 30 10 IKEE COc1ccc(OC)c(C=C2Oc3c(ccc(OC(=O)C=Cc4ccccc4)c3C)C2=O)c1 2323744981 UHCLHZVPWDVPPE-UHFFFAOYSA-N 442.467 5.247 30 10 IKEE CCc1ccc(NC(=O)COc2c(OC)cc(C=CC(=O)c3ccccc3)cc2OC)cc1 2323808741 SHPCPIVYWOTOAX-UHFFFAOYSA-N 445.515 5.180 30 10 IKEE CC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)c1 2323896523 QASIWTFYKWXJMW-UHFFFAOYSA-N 426.424 5.004 30 10 IKEE CCCC(=O)Oc1cc(C)c2c(c1)OC(=Cc1cc(Br)ccc1OC)C2=O 2323921770 ARQGKXHAFGQVCQ-UHFFFAOYSA-N 431.282 5.088 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 2324066455 NNQBQRNZXIUATJ-UHFFFAOYSA-N 433.479 6.507 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1F 2324124290 QGQNLVNNZLVYLA-UHFFFAOYSA-N 449.478 5.065 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OCC(=O)NCc1ccco1 2324173599 YWCXCNPOMQMKLT-UHFFFAOYSA-N 433.504 5.003 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc([N+](=O)[O-])c1OCc1ccc(F)cc1 2324451875 MNQXTTLXFCQSHF-UHFFFAOYSA-N 449.478 6.225 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C)o2)C3=O)c1 2324464682 WNGQBFOLKNKOTH-GOSISDBHSA-N 431.488 5.535 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(C(=O)OC)cc3)n2)cc1 2324545765 DTSQYRUFXBDIPJ-NRFANRHFSA-N 446.528 5.275 30 10 IKEE O=C(COc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O)Nc1ccc(F)c(Cl)c1 2325592828 RSVRRKDWHGXROQ-UHFFFAOYSA-N 449.865 5.669 30 10 IKEE O=C(C=Cc1cc(F)ccc1F)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1 2325703362 NMZBSCMEXTWLBY-UHFFFAOYSA-N 427.834 5.418 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1OC(=O)c1cccc(F)c1 2325736744 QHCDYALCDYLAKI-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)Oc1cccc(C=CC(=O)c2ccc(F)cc2)c1 2325751369 WNOWBDDEHMNCKI-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)C=Cc1ccc(C(=O)OC)cc1 2325806189 KTCQCLIUGVXITG-QHCPKHFHSA-N 444.616 5.028 30 10 IKEE CC(C)(C)Oc1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2Cl)cc1 2326697603 NWNDUSGVSMPKAF-UHFFFAOYSA-N 435.380 5.937 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1cccc(Cl)c1 2328567223 MJXSRMADMUXXKR-UHFFFAOYSA-N 426.973 5.471 30 10 IKEE CCSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1cccc(Br)c1 2328785204 IBBPCJWNHYDEHP-UHFFFAOYSA-N 445.386 5.231 30 10 IKEE Clc1cccc(C=Nn2c(COCc3ccccc3)nnc2SCc2ccccc2)c1 2329341197 BUXLOHGDEMAVGN-UHFFFAOYSA-N 448.979 5.823 30 10 IKEE O=C(C=Cc1cccc(OCc2ccccc2)c1)ON=C1CCN(Cc2ccccc2)CC1 2329925326 DPKNDYPFUKRMGX-UHFFFAOYSA-N 440.543 5.474 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCC)nnc2[C@@H](C)c2ccccc2)cc1OC 2330090168 KKYGLDQQOSXEJX-SFHVURJKSA-N 438.597 5.612 30 10 IKEE C=CCSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1cc(Br)ccc1F 2330119055 MQWDGDIXOVWWRF-AWEZNQCLSA-N 445.361 5.492 30 10 IKEE CCCSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1ccc(OC(C)C)c(OC)c1 2330123497 MCTCTQRLPXIYEM-SFHVURJKSA-N 438.597 5.610 30 10 IKEE Oc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCCc2ccccc2)c(O)c1 2330275764 UJUKGVUKIYJHAP-UHFFFAOYSA-N 436.581 5.029 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(-c3cccs3)n2N=Cc2cccc(F)c2)cc1 2330556648 QSWLNJGOPCBSLG-UHFFFAOYSA-N 439.497 5.228 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2)c(C)c1 2330621546 XMLDRDWTBYLUJY-UHFFFAOYSA-N 431.444 5.092 30 10 IKEE CC(C)(C)Cc1nnc(SCCc2ccccc2)n1N=Cc1ccc(Cl)cc1Cl 2330854838 JTZPPBIUBNYNGE-UHFFFAOYSA-N 447.435 6.391 30 10 IKEE COc1ccccc1C=Nn1c(CC(C)(C)C)nnc1SCc1cccc2ccccc12 2330860338 WDBLPUWBOMYVDA-UHFFFAOYSA-N 444.604 6.203 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1Br)c1ccco1 2331092620 GMEOUPQYJQMYFM-UHFFFAOYSA-N 433.204 5.436 30 10 IKEE COc1ccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2)cc1 2331215972 HNTFSNICMDZJHF-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE CCCCc1nnc(SCc2ccccc2C)n1N=Cc1c(Cl)cccc1Cl 2331322824 VOPBVPWEGIDHLD-UHFFFAOYSA-N 433.408 6.410 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2OC)cc1 2331329934 YDTXAIVNXDTXFY-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)CC1CCCCC1 2331510391 DSSBWQLIQJSDPW-UHFFFAOYSA-N 430.903 6.260 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CCC2)cc1 2331541857 GYRLMBNKRARPOR-UHFFFAOYSA-N 447.391 6.036 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cccs3)cc2)c(OCC)c1 2331731165 GZLABFGSUCUTHU-UHFFFAOYSA-N 436.529 5.590 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc(OC)c1OC(=O)CCC 2331752194 RKLHDXDYPVAAOW-UHFFFAOYSA-N 442.939 5.996 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)[C@@H]2CCCO2)c(Cl)c1 2331755357 DRFJZCNRQKZQNK-FQEVSTJZSA-N 435.303 5.291 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(C)c(C)c(Br)c(C)c1C 2345959296 WQACETKWRBHDOJ-LPHOPBHVSA-N 425.411 5.413 30 10 IKEE CC1(C)CN(Cc2ccccc2)CC[C@H]1Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2365052940 PBFLZYWDMRYHIJ-HSZRJFAPSA-N 447.432 5.439 30 10 IKEE COc1cccc(/N=C/c2c(O)c(C(=O)Nc3ccccc3OC)cc3ccccc23)c1 1187437 HAGWDUMLYVSLAY-JVWAILMASA-N 426.472 5.566 30 10 IKEE O=C1C(c2ccccc2)=C(c2ccccc2)[C@@]2(c3ccccc3)CN=N[C@@]12c1ccccc1 5051998 VOLBMCYGGKVCFS-KYJUHHDHSA-N 426.519 6.479 30 10 IKEE CCCCc1ccc(N/C=N/OC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C)c1 8648382 KBDFZDQUNDOFHY-UHFFFAOYSA-N 446.391 6.587 30 10 IKEE CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(F)c2)cc1 21239859 AKXPKDQMFWUDEL-PIIWDFAUSA-N 440.562 7.103 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2OC(C)C)cc1 21241878 NPVAWMYKFAOIMG-SIKLNZKXSA-N 433.548 5.267 30 10 IKEE O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@@H](c1ccc3ccccc3c1)Nc1ccccc1N2 21248308 QWOPBSRALSXGNI-KPURRNSFSA-N 434.514 6.958 30 10 IKEE CC(C)(C)c1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(Cl)c(Cl)c2)C3)cc1 21255937 OLDGRYZNGBOROJ-SJLPKXTDSA-N 442.386 6.295 30 10 IKEE O=C1/C(=C\c2ccccc2OC(=O)c2cc(F)c(F)c(F)c2F)Sc2ccccc21 34807457 FFBABYXJLGUEKZ-RQZCQDPDSA-N 430.378 5.792 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C\c2ccc(OC(=O)/C=C/c3ccccc3)c(OC)c2)c1 34955180 MDPGCHAZVFWNBH-ONOUAEBYSA-N 444.483 5.227 30 10 IKEE COc1ccc(/C=C\C(=O)c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1OC 34955182 HQSFQEVDSCFOJC-SOFYXZRVSA-N 444.527 6.117 30 10 IKEE C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(CC)cc2)nnc1-c1ccc(Cl)cc1 36627076 OSJKXENYXFIGRL-INIZCTEOSA-N 441.000 5.316 30 10 IKEE C[C@@H]1CCc2c(C#N)c(NC(=O)COc3ccccc3C(C)(C)C)sc(=S)c2C1 41014517 LBTYFERSJXFBEN-CQSZACIVSA-N 426.607 5.789 30 10 IKEE Clc1ccc(Sc2oc(/C=N/c3ccc4ccccc4c3)cc2Br)cc1 59301817 BCXQLEISXAMEIJ-ZMOGYAJESA-N 442.765 7.751 30 10 IKEE Cc1ccc(/C=N/c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@H]3c2ccccc2)cc1 59506187 PTPQCPAIVCLWCS-FTFBESHGSA-N 442.606 7.623 30 10 IKEE CCCCCCCOc1ccc(NCC(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)cc1 100077868 HAWWKBALQBVNGD-UHFFFAOYSA-N 439.600 5.615 30 10 IKEE CCCCCCCOc1cccc(NCC(=O)Nc2cccc(NC(=O)C3CC3)c2C)c1 100090520 UAMVYGXXCISNQI-UHFFFAOYSA-N 437.584 5.743 30 10 IKEE CCCCCCCOc1cccc([C@]2(C)Nc3ccccc3C(=O)N2C[C@H]2CCCO2)c1 100141036 ZXMNCYFTAAUZDW-YIXXDRMTSA-N 436.596 5.955 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 100154261 LLKDWVRHQISMJY-UHFFFAOYSA-N 445.541 5.079 30 10 IKEE O=C1/C(=C/c2ccccc2[N+](=O)[O-])S/C(=N/c2cccnc2Cl)N1c1ccccc1 101126880 FVZDPDALHGTSPR-QACXOHACSA-N 436.880 5.452 30 10 IKEE CCc1ccc(N/C=C2\C(=O)c3sccc3N(Cc3ccc(C)cc3)S2(=O)=O)cc1 105336574 UTIYPSMPTVCSNJ-KGENOOAVSA-N 438.574 5.105 30 10 IKEE CCOc1cc(/C=N/Nc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1Cl 169878735 JTKUYMHMMAISMJ-LGJNPRDNSA-N 449.765 7.071 30 10 IKEE CCOc1c(Cl)cc(/C=N\n2c(COc3ccccc3)nnc2SC)cc1Cl 169916486 PNEOXPVIQZUORU-JJFYIABZSA-N 437.352 5.167 30 10 IKEE CCN1C(=S)N[C@@H](c2ccccc2OCc2ccccc2Cl)C2=C1CCCC2=O 169932966 UPZHAKDUODSNND-QFIPXVFZSA-N 426.969 5.177 30 10 IKEE CCOc1c(Cl)cc([C@@H]2NC(=S)N(CC)C3=C2C(=O)CCC3)c(OCC)c1Cl 169933163 SXKSOLNWDFHANN-KRWDZBQOSA-N 443.396 5.049 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2ccc(O)cc2)cc1 169964863 XQBMPBPJSPTTMH-VWLOTQADSA-N 441.527 5.350 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2cccc(C)c2)c1 169970413 HLBGBLPSVVNOCY-XMMPIXPASA-N 443.499 5.185 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@H]2c2cccnc2)cc1 170003301 ZFLAVKWQCCWLNC-DEOSSOPVSA-N 440.543 5.724 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@@H]1c1ccncc1)c1cc2ccccc2o1 170021027 ZNHYVBNDMJUFFM-RUZDIDTESA-N 446.462 5.764 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2ccccc2)c1 170036366 XKISFJQLMVEZSS-SANMLTNESA-N 449.506 6.021 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2ccccc2)=C(N2C[C@H](C)O[C@@H](C)C2)C1=O 170041302 AJHMNQJLXMQOCN-SFTDATJTSA-N 426.601 5.016 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccccc1F)c1ccc2c(c1)CCO2 170071134 ZLNRGCCTFZIPAK-QFIPXVFZSA-N 449.865 5.197 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2c[nH]c3ccccc23)cc1 170075124 FXNJBGDGRCCGEH-RUZDIDTESA-N 436.511 5.822 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2c[nH]c3ccccc23)cc1 170075163 FJJFWNFHHLMDBE-RUZDIDTESA-N 448.478 6.005 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1Cc1ccc(F)cc1 170108018 GUQFIMNOLBTYJQ-OAQYLSRUSA-N 447.487 5.720 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc(OC)c2)cc1 170119315 HZQYRMVKVQRVJT-DEOSSOPVSA-N 449.547 5.395 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@@H]1c1cccc(OC)c1 170120909 FBVHXQAOUCSBKQ-FQEVSTJZSA-N 448.544 5.115 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@H]1c1cccc(OC)c1 170121259 CFKRERSCLRBKFK-HSZRJFAPSA-N 437.536 5.089 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccncc2)cc1C(C)C 170209273 VGKDRKLFVCGBBN-DEOSSOPVSA-N 448.563 5.433 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccccc2)c1 170226434 JKFJACMZFJRIRZ-QFIPXVFZSA-N 433.891 5.522 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccccc2)cc1 170227147 MMGYIUXHLVCBBM-OAQYLSRUSA-N 448.316 5.540 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccco2)cc1 170285215 CENABEBYZPSZDF-QHCPKHFHSA-N 447.487 5.248 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccc(F)cc2F)o1 170305835 PYLFMFGKZKAIJL-IBGZPJMESA-N 429.806 5.303 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]2c2cccc(C)c2)cc1OCC 170459465 ITITYKVJRMKPNF-JOCHJYFZSA-N 437.536 5.308 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 170471236 ZRFVRPLOWNSAND-XMMPIXPASA-N 437.555 5.677 30 10 IKEE C=CCOc1ccc(/C=C2/SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1OCC 210188078 YRTSSXJMYHLSKV-KGENOOAVSA-N 425.575 5.360 30 10 IKEE CN1C/C(=C/c2ccccc2C(F)(F)F)C(=O)/C(=C\c2ccccc2C(F)(F)F)C1 220631897 GIGPCIPTGZBQOB-APGQMXJTSA-N 425.372 5.706 30 10 IKEE CCOc1ccc(N=Cc2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1 252604387 FZFSZHXVPDKCMF-SSEXGKCCSA-N 445.566 7.192 30 10 IKEE COc1cc(N=Cc2c(O)ccc3ccccc23)ccc1NC(=O)c1cc2ccccc2o1 254792999 VCJAKKYCJUBGGA-UHFFFAOYSA-N 436.467 6.303 30 10 IKEE O=C(Nc1cc(C(F)(F)F)ccc1F)c1cc(C(F)(F)F)ccc1Br 327369206 KZVZPQFKDVUXKY-UHFFFAOYSA-N 430.117 5.878 30 10 IKEE C=C([C@H](NCCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1)C(F)(F)F 406587142 BKYCSPNPYCZRRT-HNNXBMFYSA-N 437.300 5.955 30 10 IKEE Cc1ccc([C@@H]2C(c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526489033 DNQBDQDNVSFLGY-JOCHJYFZSA-N 435.310 6.231 30 10 IKEE CC(C)Oc1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526489252 PNZPPBJTDCGSBH-DEOSSOPVSA-N 428.463 5.542 30 10 IKEE CCCCOc1cccc([C@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)c1 526520909 IZWVYGAPUVOSSZ-SANMLTNESA-N 438.527 6.103 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccc(OCC)c2)c1 526605338 AXBGCVRKDQOCOD-VWLOTQADSA-N 440.499 5.413 30 10 IKEE CCc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccccc2F)cc1 526803706 IZJNONQNRWPNHX-PKAZHMFMSA-N 430.552 5.745 30 10 IKEE C=CCN(CC=C)C(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 586663176 GIRDOULMBINQOT-UHFFFAOYSA-N 427.504 5.937 30 10 IKEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 586709807 CTCYQADXCRGQQS-UHFFFAOYSA-N 438.742 6.105 30 10 IKEE C=C(C)C(=O)OCCCCCCCCCCCCCCCCn1ccc(=[N+](C)C)cc1 642880642 CYLIHCVJUIGWCR-UHFFFAOYSA-N 431.685 6.101 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)COc2ccccc2C1 698447364 TZOFQKOKTVJLIN-OAQYLSRUSA-N 429.314 5.088 30 10 IKEE CSc1ccccc1N/C(=N/CC(C)(C)C)NC1CCC(CC2CCC(N)CC2)CC1 1088666073 DXABIIMTEKGJOZ-UHFFFAOYSA-N 444.733 6.279 30 10 IKEE C[C@H](NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ccc2nc(O)oc2c1 1312478569 HRPYOPQQIRKFPX-CVEARBPZSA-N 426.476 5.193 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)SC1=Nc1cccnc1 1772732498 XPGVUFLOYGGJTG-ZKPZWDPRSA-N 446.488 5.348 30 10 IKEE CCOc1ccc(N=C(NN=Cc2ccc3c(c2)OCO3)c2ccc3ccccc3n2)cc1 1772742219 LCBUOASXJGHUED-UHFFFAOYSA-N 438.487 5.064 30 10 IKEE Cc1ccc(-c2nn(-c3ccccc3F)cc2/C=N\NC(=S)Nc2cccc(F)c2)cc1 1857810444 ISCGVXIPMJEHNK-VYYCAZPPSA-N 447.514 5.446 30 10 IKEE C=CCN(CC=C)c1nc(-c2ccnc(NCc3ccccc3Cl)c2)cc2cnccc12 1857843958 ILCVYVLYZWPPMR-UHFFFAOYSA-N 441.966 6.136 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)CCc1ccc(OC)cc1)[C@H](C)CC 1861085035 SOGWHIKAHVMEAB-PXDATVDWSA-N 432.649 5.416 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](C)NC(=O)c1ccc2nc(C(C)(C)C)[nH]c2c1 1861444866 RLQWDBKEKMKSNU-GOSISDBHSA-N 428.621 5.236 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)CCCOc1ccc(C)cc1 1861688964 AUGIKOAQSPAAAQ-DEOSSOPVSA-N 430.633 5.402 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(C(C)(C)C)cc2)n(Cc2cc(C)ccc2C)n1 1862366430 NQNWRILAXFMZKO-UHFFFAOYSA-N 441.619 6.327 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(C(C)C)cc1 1862381102 RQOJYPNSZWZYNL-FQEVSTJZSA-N 430.331 5.881 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(F)cc2F)=C(O)C(=O)N1C1CCCCCC1 1862411502 JJCPDCLDQGOSGQ-JOCHJYFZSA-N 425.475 5.574 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2cccc(C)c2)cc1OCCC 1862425883 HWMXZPXIQPQWSD-XMMPIXPASA-N 449.547 5.313 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(O)cc1 1862430121 CLKBAJODNBYPGJ-RFVSGWPVSA-N 425.912 5.203 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccc(O)cc1)c1ccccc1Cl 1862430284 HNNGMJWINIZLIG-NRFANRHFSA-N 425.912 5.347 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@H]1c1cccc(O)c1)c1ccccc1Cl 1862431013 XNIZVQRVORTLCV-QHCPKHFHSA-N 447.918 5.257 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(Cl)c(Cl)c1 1862443667 NWSJHAZOWSHBCE-ZMZPIMSZSA-N 438.738 6.024 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCCCCC2)c1 1862479048 XNZIRDSIWBIYCM-RUZDIDTESA-N 447.575 6.085 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OCCCC)cc1 1862482443 NKFPGAMHRDKHFV-XMMPIXPASA-N 435.564 5.942 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)cc1 1862492837 BDUXAKRQOVSTBP-DNVKUUNQSA-N 447.575 5.859 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2cccc(C)c2)cc1 1862534715 XCMNLCWSKUOSDG-XMMPIXPASA-N 445.946 5.989 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccccc1 1862544124 WXZSOGVZIQKROR-DPQOWFAMSA-N 429.560 5.722 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@H]1c1ccccc1Cl)c1cccc(O)c1 1862594915 JHWGBVKVSWZOBT-QFIPXVFZSA-N 437.923 5.514 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 1862618981 LIXYFIMXLPFDHA-OAQYLSRUSA-N 436.508 5.127 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2ccccc2C)c1 1862698844 NUZRATBZGCXBDP-XMMPIXPASA-N 427.500 5.091 30 10 IKEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@H]2c2cccc(O)c2)cc1 1862732509 HRHFGMPMCVWDOM-QHCPKHFHSA-N 437.536 5.340 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(Cl)cc2)=C(c2ccc(F)cc2)C1=O 1863139618 ARFMVTFDGPKLGN-UHFFFAOYSA-N 428.935 6.032 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(C)cc(C)c2)=C(c2ccc(OCC)cc2)C1=O 1863203632 XLBUFCZXNYRVLZ-UHFFFAOYSA-N 448.607 6.255 30 10 IKEE C#Cc1cccc(NC(=O)/C(=C/c2ccc(OCCCCC)c(OC)c2)c2ccccc2)c1 1865909200 LGQUXYCTNDHKHZ-LHLOQNFPSA-N 439.555 6.425 30 10 IKEE Cc1cccc(-c2ccc3[nH]c(C(=O)Nc4sc5c(c4C#N)CCC5)cc(=O)c3c2)c1 1866563096 XCFYSEROGXUHBI-UHFFFAOYSA-N 425.513 5.178 30 10 IKEE Cc1ccc(-c2nc(Nc3cccc(C#N)c3)cc(N3CCN(CC(C)(C)C)CC3)n2)cc1 1868311651 CZCAIPCETHPUAH-UHFFFAOYSA-N 440.595 5.235 30 10 IKEE Cc1c(Cl)cccc1-n1nnc(C#N)c1NC(=O)c1c(Cl)ccc(Cl)c1Cl 1870154105 LTCBULQJMRKCQQ-UHFFFAOYSA-N 441.105 5.313 30 10 IKEE Cc1ccc2[nH]c(C(=O)Nc3c(C#N)nnn3-c3ccc(-c4ccccc4C)cc3)c(C)c2c1 1870159019 ATIBSPYGLPJTOG-UHFFFAOYSA-N 446.514 5.465 30 10 IKEE N#Cc1ccc(COc2cn(Cc3ccccc3)c(CSc3ccccc3)cc2=O)cc1 1870233023 ADXQANZAQSLOCW-UHFFFAOYSA-N 438.552 5.640 30 10 IKEE C=CCOc1cn(CCCOC)c(CNc2ccc(OCCCCCC)cc2)cc1=O 1870810565 IQGUVWPBUFXYOX-UHFFFAOYSA-N 428.573 5.021 30 10 IKEE CCCCCCCOc1cn(CCCOCCCC)c(CNc2cccc(C)c2)cc1=O 1870830446 PCJZIFNTLOPROC-UHFFFAOYSA-N 442.644 6.325 30 10 IKEE COc1ccc([C@@H](C)N2COc3cc(C)c4c(c3C2)O/C(=C\c2cccs2)C4=O)cc1 1871354390 PFUZDQLPPDQGPG-YSUUHWHMSA-N 433.529 5.594 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc4c(c1)OCO4)C3=O)CN([C@@H]1CCCC[C@@H]1C)CO2 1871355892 LKHJUWMNFFEARM-ZPKCIJNESA-N 433.504 5.071 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(C(F)(F)F)cc4)cc(C)c3C2=O)o1 1871375920 KGAOVLHWFNPMBX-GRSHGNNSSA-N 428.362 5.751 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871409144 YHFBYJGXHGZJDW-OYWBIJSESA-N 439.511 5.882 30 10 IKEE COc1ccc(C)cc1NC(=O)CCOc1ccc2c(c1C)O/C(=C\c1cccs1)C2=O 1871447116 WAFLTFKUVXBXTI-HMAPJEAMSA-N 449.528 5.397 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1C 1871459733 ZTYBCSLDKRUAJO-FMCGGJTJSA-N 433.891 5.591 30 10 IKEE CCCCCCCCCCN=c1[nH]c(=NC2CCCCC2)[nH]c(=NC2CCCCC2)[nH]1 1871463960 XGDPJORXTHEFAS-UHFFFAOYSA-N 430.685 5.179 30 10 IKEE COc1ccc(C(=O)[C@H](C#N)c2nc(-c3cccc(Br)c3)cs2)cc1OC 1872763820 WBPCHRAZZPKGRE-HNNXBMFYSA-N 443.322 5.080 30 10 IKEE CCCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1OCC 1872770204 NDINWMPTGVVCRF-FQEVSTJZSA-N 434.561 6.186 30 10 IKEE Cc1cc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc(C)c1Cl 1872773836 ZBLXKTYSEGYQOP-MRXNPFEDSA-N 440.908 5.064 30 10 IKEE COc1ccc(CC(=O)[C@H](C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1OC 1872785410 MIITWBDTKBBXCX-FQEVSTJZSA-N 448.588 5.852 30 10 IKEE Cc1cc(C)c(-c2csc([C@H](C#N)C(=O)CCCOc3c(C)cccc3C)n2)c(C)c1 1872786539 MSQUDHKELJCEGB-OAQYLSRUSA-N 432.589 6.388 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2)C(=O)N(Cc2ccccc2OC)C1=O 1873159136 GFVATIBJDFWGQZ-UHFFFAOYSA-N 448.607 5.706 30 10 IKEE Cc1ccccc1CSc1nncn1/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 1873501675 IPNXTIAUEHQIQX-MZJWZYIUSA-N 448.979 5.993 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)cc2C)cc2c(NCCC3=CCCCC3)ncnc21 1873638908 BLIBSQGTKYPPAZ-UHFFFAOYSA-N 449.986 6.134 30 10 IKEE C=CCn1c(C(=O)Nc2ccc3c[nH]nc3c2)cc2c(NCCC3=CCCCC3)ncnc21 1873638920 CAJNBZKVEXWTTO-UHFFFAOYSA-N 441.539 5.048 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccc(Cl)cc3Cl)c(=O)oc2c1 1873946748 MKLKONWWJDUCOE-UHFFFAOYSA-N 432.303 5.544 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(O)cc1 1874205128 KQISEHNCIRRQQC-SSDVNMTOSA-N 437.352 5.254 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1cccc(OCC)c1 1874250337 ZZNKTCDEZUSBDQ-XIEYBQDHSA-N 438.597 5.381 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc(OCCC)cc1 1874342377 MRDDZTVTRBXQCW-MFKUBSTISA-N 441.000 5.862 30 10 IKEE Cc1ccccc1CSc1nnc(COCc2ccccc2)n1/N=C/c1cccs1 1874353121 SANJKQAHASILQB-ZVHZXABRSA-N 434.590 5.539 30 10 IKEE CCCSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874399134 ICROFTTYBZEAOZ-JMKVTYIUSA-N 430.961 5.182 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc(OCC)c(OC)c1 1874507420 BYTRDFSXMIUTIP-ZVHZXABRSA-N 444.988 5.466 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CCC)nnc2SCc2cccc(Cl)c2)cc1 1874510907 BARLQKFDQCMZRK-PCLIKHOPSA-N 443.016 6.237 30 10 IKEE CCc1nnc(SCC(=O)Nc2cccc(C)c2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874523729 DCWICUUOOJSJBW-MFKUBSTISA-N 435.597 5.059 30 10 IKEE CCCOC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(OC)c(OC)c1 1874571869 KQSWQYJBLLCTSR-VAWYXSNFSA-N 434.488 5.085 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccccc2OCc2ccccc2Cl)cc1C(C)C 1874585246 OPIGXKMGPDRRNY-BUHFOSPRSA-N 434.963 7.256 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OCc2ccccc2Cl)c1 1874598173 YGMVRDHEOUOTCA-WYMLVPIESA-N 434.963 7.121 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cccc(OCC(=O)N[C@@H](C)c2ccccc2)c1 1874599509 PVGSEOZFRIONAL-ARKBFRDHSA-N 443.543 5.464 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3C)cc2)cc1 1874616700 OLVNLQIQWKGXDN-LICLKQGHSA-N 429.516 5.697 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c2ccccc12 1874638230 OULCVEYJGJUIIH-MHWRWJLKSA-N 428.915 6.977 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccccc3-c3ccccc3)c2)c(C)c1 1874702357 OEDSSHHWLOAAOL-FBMGVBCBSA-N 432.519 7.086 30 10 IKEE CCCCCCCCC(=O)Oc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC 1874704180 AODUYDKNEDDGEQ-FYWRMAATSA-N 438.564 6.564 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)CCc2ccccc2C)c1 1874716569 YSEKUGOMNLZGME-ACCUITESSA-N 448.946 6.400 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(CC)cc3)cc2OC)CC1 1875101768 PZCCQBDXCZQSED-LDADJPATSA-N 448.603 7.056 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)c1cccs1 1875122987 RCRRGGLLAUWUDV-RUDMXATFSA-N 433.312 6.179 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C2(c3ccc4c(c3)OCO4)CC2)c(Cl)c1)c1ccccc1 1875128132 OUEOHNFTPKRSGQ-RMKNXTFCSA-N 446.886 5.602 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OC)cc3)c(OCC)c2)cc1 1875130288 DOYAUWLWFPNWAW-OMCISZLKSA-N 446.499 5.608 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2F)c(Cl)c1)c1ccc(Cl)c(Cl)c1 1875135528 VFSWYTACDMEGTG-WEVVVXLNSA-N 449.692 6.901 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccncc1 1875149308 JKOPATQAXCDWQE-WUXMJOGZSA-N 429.516 5.893 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)c1cccc(C)c1 1875162015 SKOKKXCENQVLEU-JXMROGBWSA-N 438.426 5.406 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)c1cccs1 1875162081 WCQBPCBXWDCZEH-VMPITWQZSA-N 430.428 5.159 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)[C@H](C)c1ccccc1 1875169752 RFMFQNQFKXXBIY-XSEIIIHRSA-N 442.555 6.534 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2ccc(OC(=O)C(C)(C)C)c([N+](=O)[O-])c2)cc1Cl 1875174183 DRKKACLCGMKKJR-SOFGYWHQSA-N 447.871 5.113 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3c(C)cc(C)cc3C)cc2)cc1 1875182583 KVGKBPZBQQPTRJ-LFIBNONCSA-N 442.555 6.445 30 10 IKEE C=C1C[C@@H]1[C@@H](NCC)c1sc(Br)c(Br)c1Br 1902355276 HJYTVUSMKXZWRV-IMTBSYHQSA-N 430.003 5.262 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](O)c1cc(Cl)ccc1Br 1922053360 BJNOWRCTKXIORT-LEWJYISDSA-N 438.793 5.277 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC[C@H]1CCCCN1C(=O)OC(C)(C)C)NCCC 1922066352 SVSONBVPGWOLAT-RPWUZVMVSA-N 430.633 5.697 30 10 IKEE C=C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)([C@@H](CC(C)C)C(=O)O)C(C)(C)C 1927550257 KBHMLRAMFXQWDD-RBJSKKJNSA-N 449.591 6.243 30 10 IKEE COc1cc(C=Cc2cc(-c3ccccc3)n3c(nc4ccccc43)c2C#N)cc(OC)c1 2053621722 UILJSONZIPIMSH-UHFFFAOYSA-N 431.495 6.214 30 10 IKEE C=CCCCC[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCC 2059116911 DKXQUNFLOSHWDD-XMMPIXPASA-N 443.676 5.661 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2067213993 KCKVOIJAFGTMCY-VWLOTQADSA-N 447.620 5.630 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCN(C(=O)OC(C)(C)C)C2(C)C)c1 2068176157 SFWVQVRTZQJANA-RUZDIDTESA-N 443.588 5.808 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2071501425 QOQXRFDSOUNFKI-KCYKTTMJSA-N 445.535 5.249 30 10 IKEE CC(=O)Oc1ccc([C@@H](n2nc(C3CCC3)c(C=NO)c2Br)C(C)(C)C)cc1 2080080427 UVAIJIZHLLUEPR-LJQANCHMSA-N 448.361 5.282 30 10 IKEE CC(C)(C)n1nc(C(F)(F)F)c(-c2ccc(C(F)(F)F)cc2F)c1Br 2080748589 ZUBRFCCUCWFZOO-UHFFFAOYSA-N 433.165 6.244 30 10 IKEE COc1c2c(nc3c(-c4ccc(F)cc4C(F)(F)F)c(C(F)(F)F)nn13)CSC2 2081322288 LDVOJXRGVKYXDU-UHFFFAOYSA-N 437.340 5.328 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1ccc2c(c1)CCC2 2152741040 YWRAHQHSZJCYKR-HXUWFJFHSA-N 427.342 5.944 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](CNc2ccc(Br)cc2C#N)[C@H]2CCCC[C@@H]21 2179392951 MXZINMACBQCKFE-WDYCEAGBSA-N 434.378 5.158 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Cl)cc(Cl)c1Cl 2235580621 FWWZVNGRRIPYHW-SJLPKXTDSA-N 433.807 5.994 30 10 IKEE C=CCN(CC[C@@H](NCCC)c1ccc(Br)cc1CC)C(=O)OC(C)(C)C 2237544589 VWHAZGFPBICFKJ-HXUWFJFHSA-N 439.438 5.865 30 10 IKEE O[C@@H](C#Cc1cccc(Br)c1)c1cc(Br)cc(Br)c1 2278802522 QUOWTXNTFKKNIM-HNNXBMFYSA-N 444.948 5.059 30 10 IKEE C=C1C(=CC=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)C=C[C@H](C)C(C)(C)O)C[C@@H](O)C[C@@H]1O 2293812342 ZGLHBRQAEXKACO-WROXZXEWSA-N 428.657 5.727 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc(CC[C@@H](N)C#Cc2cccc(Br)c2)c1 2296232560 OQWDMXYDWMKYOM-IBGZPJMESA-N 429.358 5.108 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](CC[C@H](O)C#Cc2ccc(Br)cc2)C1 2296274523 UUPVNLGSWZQTLN-MISYRCLQSA-N 436.390 5.025 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)C#Cc1ccc(Br)cc1 2296289057 NRTMMILWVAGXJP-IBGZPJMESA-N 434.374 5.233 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(O)c3CN(CC(C)C)CC(C)C)C2=O)c2ccccc21 2296601866 KNZBUASZAPIDPL-UHFFFAOYSA-N 446.591 6.097 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(Cl)cc2)c1)c1ccc(Br)cc1 2314429392 GIIBFLRKEQZXNC-UHFFFAOYSA-N 441.708 6.218 30 10 IKEE O=C(C=Cc1c(F)cccc1Cl)c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 2314430210 YXSYJZOUOIUOGA-UHFFFAOYSA-N 425.799 5.503 30 10 IKEE CCOc1cc(C=C2SC(=Nc3cccc(C)n3)N(c3ccccc3)C2=O)ccc1O 2314540746 XITRAUTWLDBAMK-UHFFFAOYSA-N 431.517 5.303 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)C23CC(CCN2C(=O)OC(C)(C)C)C3)c1 2318782527 OWAAPBCCXNEVKZ-GTUCJRJXSA-N 441.572 5.418 30 10 IKEE Sc1nnc(Cc2cccs2)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2321884349 KDNOVYYPJSIAFS-UHFFFAOYSA-N 440.981 5.334 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc4c3CN(CCOc3cc(C)cc(C)c3)CO4)C2=O)c1 2322193213 AHMXGJNQAYTWLU-UHFFFAOYSA-N 441.527 5.459 30 10 IKEE CCc1ccc([C@@H](C)N2COc3c(cc4c(c3C)OC(=Cc3ccc(C)cc3)C4=O)C2)cc1 2322455474 MVKXTWREIKZHIN-HXUWFJFHSA-N 439.555 6.395 30 10 IKEE CCc1ccc([C@H](C)N2COc3c(cc4c(c3C)OC(=Cc3ccccc3C)C4=O)C2)cc1 2322455516 XWQPOXLJCGOWEF-FQEVSTJZSA-N 439.555 6.395 30 10 IKEE CCCNC(=O)COc1c(C=CC(=O)c2cccc3ccccc23)cc(Cl)cc1OC 2322724606 NOVHBSWRLDIUHR-UHFFFAOYSA-N 437.923 5.303 30 10 IKEE CCn1cc(C=C2Oc3cc(OC(=O)c4cc5ccccc5o4)ccc3C2=O)c2ccccc21 2322842643 CLHPIKVHRGACHB-UHFFFAOYSA-N 449.462 6.243 30 10 IKEE CCOC(=O)c1ccc(COc2cccc(C=CC(=O)c3ccc(Cl)cc3Cl)c2)o1 2323075970 DTPFMDKVIXOHHO-UHFFFAOYSA-N 445.298 6.238 30 10 IKEE CCCN(CCC)C(=O)COc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OC 2323202238 VUXWMYSBBKWOGD-UHFFFAOYSA-N 445.559 5.772 30 10 IKEE CCOc1ccc(C=CC(=O)C(=O)N(Cc2ccccc2)c2ccccc2)cc1OCC 2323219050 YTJWCBPMZRJDMC-UHFFFAOYSA-N 429.516 5.300 30 10 IKEE O=C(C=Cc1ccc(Cl)cc1)Oc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O 2323318626 YXLHTGVRDYIZBY-UHFFFAOYSA-N 437.278 6.228 30 10 IKEE CCCOc1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C)o2)C3=O)cc1 2323461308 WESLMJQYKLJXEI-UHFFFAOYSA-N 444.483 5.920 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OCc3ccccc3F)c(OC)c2)cc1C 2323557669 OZARGCYKBKCIFB-UHFFFAOYSA-N 440.898 6.280 30 10 IKEE CC(C)Oc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc4c(c2)OCO4)C3=O)c1 2323808847 HJWWSIDDIOQARL-UHFFFAOYSA-N 444.439 5.038 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)cc1 2323829843 ZTVDOCOJPBHQOC-UHFFFAOYSA-N 429.516 5.616 30 10 IKEE CCOc1cc(C=NNc2nc(CC)c(C(=O)OC)s2)cc(Cl)c1OCC(C)C 2323854325 LOUOCRNOEDOBDE-UHFFFAOYSA-N 439.965 5.025 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)cc1 2323921470 ZXIAKZXRDLIXDG-UHFFFAOYSA-N 443.543 6.006 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OCC(=O)Nc1cccc(C)c1 2323960121 QVVDBSZSGBECDR-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Cl)c1OCc1cc(C)ccc1C 2323960244 RFUMKECLOSJTPK-UHFFFAOYSA-N 438.926 6.888 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(OC)c1OCc1cccc(F)c1 2324156390 CTYYHDKWFVGMRJ-UHFFFAOYSA-N 434.507 6.441 30 10 IKEE N#C[C@H](C(=O)C=Cc1cccc(Cl)c1)c1nc(-c2ccc(Br)cc2)cs1 2324416683 UMTAFZZKZKEERE-QGZVFWFLSA-N 443.753 6.116 30 10 IKEE CCc1ccc(OCCCOc2ccc3c(c2C)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2324665516 FLSZSEYVCXGCNN-UHFFFAOYSA-N 448.946 6.675 30 10 IKEE CCCOC(=O)[C@H](CC)Oc1cc(C)c2c(c1)OC(=Cc1cn(CC)c3ccccc13)C2=O 2325079315 ACEMLSAYPGEDLJ-QFIPXVFZSA-N 447.531 5.696 30 10 IKEE COc1ccc(C)cc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1cccs1)C2=O 2325119033 SBHYFEGCGDSLAE-UHFFFAOYSA-N 435.501 5.007 30 10 IKEE Cc1ccccc1C=C1Oc2cc(O[C@@H](C)C(=O)Nc3c(C)cccc3C)ccc2C1=O 2325141903 OTDFJMZADOBMTG-IBGZPJMESA-N 427.500 5.634 30 10 IKEE Cc1c(OCc2ccccc2C#N)ccc2c1OC(=Cc1c(Cl)cccc1Cl)C2=O 2325357764 LBVYSVOCZRKECG-UHFFFAOYSA-N 436.294 6.369 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(Br)cc1 2325565356 GHGQARGANMRZCK-UHFFFAOYSA-N 449.805 5.821 30 10 IKEE Cc1cccc(CSc2nnc(C)n2N=Cc2ccc(OCc3ccccc3)cc2)c1 2325616530 NBFOZJHXQVAXBZ-UHFFFAOYSA-N 428.561 5.648 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cccc(OC(=O)c2cccc3ccccc23)c1 2325757617 OZPWTQCLASYKCO-UHFFFAOYSA-N 436.507 6.581 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccccc2Cl)c1)c1cc(Cl)ccc1Cl 2325773741 JCXJOAFLPVJLNH-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE COc1cccc(C=Nn2c(C)nnc2SCc2ccc(Cl)cc2Cl)c1OC 2326697930 JKICPTZEWPNGFX-UHFFFAOYSA-N 437.352 5.085 30 10 IKEE CCCCCCCCCOc1cccnc1NC(=O)C=Cc1cc(OC)ccc1OC 2326801657 NYVWXXJISOFTLZ-UHFFFAOYSA-N 426.557 5.880 30 10 IKEE CCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccccc1OC(C)C 2327267944 MHXRNMBYMUEHBQ-UHFFFAOYSA-N 438.597 5.564 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3C)n2N=Cc2cccn2C)cc1 2329465519 FDMVLHLLXORLQQ-UHFFFAOYSA-N 429.593 5.193 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccccc3Cl)n2N=Cc2cccc(O)c2)c1 2329576928 RADZFWGARZNPTL-UHFFFAOYSA-N 448.979 6.095 30 10 IKEE OCCCSc1nnc(-c2ccccc2Cl)n1N=Cc1c(Cl)cccc1Cl 2329609146 FZVONZHPLPEANE-UHFFFAOYSA-N 441.771 5.262 30 10 IKEE CCCSc1nnc(Cc2ccccc2F)n1N=Cc1ccc(Br)cc1 2329761576 RUOZJZGCQHAVOH-UHFFFAOYSA-N 433.350 5.155 30 10 IKEE Cc1cccc(C=Nn2c(SCc3ccccc3Cl)nnc2[C@@H](C)c2ccccc2)c1 2330110615 WBPYQWSGRQUMSA-IBGZPJMESA-N 447.007 6.566 30 10 IKEE Cc1ccc(CSc2nnc(CC3CCCCC3)n2N=Cc2ccc(N(C)C)cc2)cc1 2330222059 LVSYXFXFOONITE-UHFFFAOYSA-N 447.652 5.950 30 10 IKEE CCSc1nnc(Cc2ccccc2)n1N=Cc1ccc(OCc2ccccc2)cc1 2330474301 ISKLTEABMPKMFT-UHFFFAOYSA-N 428.561 5.442 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2ccccc2OC(C)C)cc1 2330623798 IAUHEECZMDYLIY-UHFFFAOYSA-N 442.588 6.215 30 10 IKEE CCCOc1cccc(C=Nn2c(SCCc3ccccc3)nnc2[C@H]2CCCO2)c1 2330968025 MMIICAXBENRUNJ-JOCHJYFZSA-N 436.581 5.135 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)CC1CCCCC1 2331286650 UJYJUBAKFWEIHB-UHFFFAOYSA-N 432.560 6.504 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OCC 2331345517 QNUOCCGHYBHNEE-UHFFFAOYSA-N 440.555 7.085 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2C2CCC2)cc1OC 2331480445 RXYASEWKZVFULL-UHFFFAOYSA-N 436.581 5.436 30 10 IKEE Cc1cccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2)c1C 2331489739 BKSOOHVDLZFQJQ-UHFFFAOYSA-N 428.528 6.307 30 10 IKEE Oc1cccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C2CCC2)c1 2331543452 WKFNEBVJAZJAOT-UHFFFAOYSA-N 433.364 5.733 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)ccc1OC(=O)CC(C)C 2331597638 SEQKXFPLOCMSSI-UHFFFAOYSA-N 430.500 6.335 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)cc1 2331636432 WTLXJJWQJJKSAA-UHFFFAOYSA-N 435.347 6.774 30 10 IKEE CCCN[C@@H](C#CC1CCC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2337419874 OKRKEEPOSAXRKA-NDEPHWFRSA-N 439.599 6.689 30 10 IKEE CCc1ccc(C#N)c(Oc2cc(Br)cc(I)c2)c1 2338659913 LCRXCMJAMSIYSS-UHFFFAOYSA-N 428.067 5.280 30 10 IKEE N#Cc1c(F)cc(Br)cc1Oc1cc(Br)cc(Br)c1 2338866017 UOTQIOXCOFZGQF-UHFFFAOYSA-N 449.899 5.777 30 10 IKEE CC1(C)OB(c2ccc(COc3cccc(Br)c3Cl)c(F)c2)OC1(C)C 2369068900 LYYAACITJVQAHR-UHFFFAOYSA-N 441.533 5.120 30 10 IKEE Cc1ccc2oc(-c3cc(/N=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3O)nc2c1 1021122 HGQFLTGOXZHPIC-VULFUBBASA-N 439.427 6.428 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(OCC)c(Cl)c2)cc1 20884939 LIUPYHQYBSQZSA-PKOBYXMFSA-N 439.939 5.142 30 10 IKEE O=C(c1cc(F)cc(C(F)(F)F)c1)N1CCC(CCc2ccc(C(F)(F)F)cc2)CC1 22646483 MVDDQKOQRIVNQZ-UHFFFAOYSA-N 447.394 6.348 30 10 IKEE C[C@H]1Oc2ccccc2C=C1/C=C1/Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2C1=O 33490318 JONRCRQRQIPHPJ-GMJSKMFWSA-N 444.870 5.883 30 10 IKEE CC(=O)c1sc(SCCS(=O)(=O)c2ccccc2)c(C#N)c1-c1ccccc1 36048367 VOLSVRVHMNWJIB-UHFFFAOYSA-N 427.572 5.055 30 10 IKEE CCCCCCSc1nc(-c2ccc(OC(F)F)cc2)cc(C(F)(F)F)c1C#N 39858424 WKELFFBAAZGLHS-UHFFFAOYSA-N 430.442 6.913 30 10 IKEE Cc1ccc(COc2ccc(/C=C3\S/C(=N/c4cccnc4Cl)N(C)C3=O)cc2)cc1 39863723 QQBUHAXNKRZWNT-WSUVFPRVSA-N 449.963 5.856 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)S/C1=N/c1nc(C)cs1 39865383 FWKRUEOQXQFMJL-JTNUTMTLSA-N 441.965 6.155 30 10 IKEE C=CCc1ccc(OCCCCn2c(CN3CCCCCC3)nc3ccccc32)c(OC)c1 39917524 AKWOSJOWKBZOIQ-UHFFFAOYSA-N 447.623 6.009 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)Nc2sc(=S)c3c(c2C#N)CC[C@@H](C)C3)cc(C)c1Cl 41017720 JVDKELVWOVCLHU-RISCZKNCSA-N 447.025 6.150 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)cc1 41284254 DZWOZGHNZDTCPM-JLPGSUDCSA-N 426.512 6.436 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN([C@H](C)c3ccccc3)C4)C2=O)cc1 41587371 YABGYVOMNFDDEF-LPANUZLBSA-N 441.527 5.923 30 10 IKEE CN(CN1C(=O)/C(=N\c2cccc(Br)c2)c2ccccc21)C1CCCCC1 59377351 ODVLZEMENKCHDZ-FLFQWRMESA-N 426.358 5.139 30 10 IKEE C/C(=N\Nc1nc(S[C@@H](C)c2nnc(C3CCC3)o2)n[nH]1)C12CC3CC(CC(C3)C1)C2 59879832 HBYRDZPCJFGBFR-USYCZDFESA-N 441.605 5.313 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)CNc1cccc(OCCC)c1 100083034 SZOZTGFQCXGGHG-UHFFFAOYSA-N 432.693 7.485 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)[C@@H](C)Oc1ccccc1[C@@H](C)CC 100235885 KSXXQXSXCGORCN-IZZNHLLZSA-N 445.732 8.565 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N[C@H](C)CC)cc2)cc1 100264797 NPVNDDLTPCZJDF-LJQANCHMSA-N 446.613 5.365 30 10 IKEE CO/C(=N/[C@H](NC(=S)N(C)c1ccccc1)C(Cl)(Cl)Cl)c1ccc(C)cc1 102431524 GPXRQNCGLLFFLM-BXDFRRGMSA-N 444.815 5.095 30 10 IKEE CCCCCCCCNCc1cc(Br)c(OCc2ccc(C)cc2)c(OC)c1 102558058 RTAVIZJKHDIKLS-UHFFFAOYSA-N 448.445 6.795 30 10 IKEE Cc1ccc(CN2c3ccsc3C(=O)/C(=C\Nc3cccc(C)c3C)S2(=O)=O)cc1 105336419 YUSCFJWLMMCVHY-FYJGNVAPSA-N 438.574 5.160 30 10 IKEE COc1ccc2ccccc2c1[C@@H](C1=C(O)CC(C)(C)CC1=O)C1C(=O)CC(C)(C)CC1=O 105664128 JGLJIWGBLAWCLJ-AREMUKBSSA-N 448.559 5.708 30 10 IKEE CC[C@@H](CS)COc1c(Br)cc(Br)cc1Br 127127555 MKBXHVQABLUFPB-SSDOTTSWSA-N 433.003 5.309 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1cccc(C)c1 169941774 RJWMNTJAYRCEEU-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2cccc(C)c2)c1 169966085 ULDJHDWBNZJTLJ-XMMPIXPASA-N 427.500 5.403 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2cc(C)ccc2O)c1 169971058 TXGLJYHECHLIES-RUZDIDTESA-N 427.500 5.111 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(C(C)(C)C)cc1 169974645 MMAXYVZPYUBKDS-DEOSSOPVSA-N 441.527 5.776 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2cccc(C)c2)cc1 170141976 OBMADUKFUXSZLN-RUZDIDTESA-N 441.527 5.874 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@H]1c1cccs1 170158330 IPEOJLGGEPBUAM-QFIPXVFZSA-N 447.556 5.773 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(OCC)cc1 170214384 JEWCWJGJDHSFED-OAQYLSRUSA-N 427.928 5.507 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccccc2)c1 170224085 VGHRMDADYYIRDW-XMMPIXPASA-N 427.500 5.565 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccc(O)c2)cc1C 170260023 FVXXWLIUHGLMAM-DEOSSOPVSA-N 443.499 5.109 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(O)c2)cc1 170264333 JEYRELZFOJOBAO-XMMPIXPASA-N 449.547 5.482 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cc3cc(Cl)ccc3o2)=C(O)C(=O)N1Cc1ccco1 170274229 GKWAHFOSEHAHNR-QFIPXVFZSA-N 447.874 5.766 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(N3CCCCC3)cc2)[C@@H]1c1ccccc1)c1ccco1 170371601 UWAHPERDLILMQS-HSZRJFAPSA-N 428.488 5.053 30 10 IKEE Cc1cccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cccc(C(=O)OC(C)C)c2)c1 170460169 OMVAPWBYQRGHSH-NRFANRHFSA-N 435.520 5.075 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)CC(C)C)[C@H]1c1ccc(C(C)(C)C)cc1 170468791 LMNVGSJOAPCYFH-HSZRJFAPSA-N 439.983 6.461 30 10 IKEE N#Cc1c(N=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)sc2c1CCCC2 252593067 BIUDHHGXKJUKGD-UHFFFAOYSA-N 441.383 7.135 30 10 IKEE C=C1CC[C@@H]2C(C)(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@@H]1C(C)=CC[C@H]2C(C)(C)C(=O)CC[C@@]12C 257381338 AVJMTAKTBATOTJ-QRKLQUIJSA-N 438.696 7.722 30 10 IKEE endogenous,in-man CCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cn(C)c3ccccc23)c1 526514107 BVRKJYAPXVJTTA-AREMUKBSSA-N 449.510 5.506 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccccc2O)c1 526758795 IAZDOQCABGMAJI-XMMPIXPASA-N 443.499 5.272 30 10 IKEE Cc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccc(C(C)(C)C)cc2)o1 526806535 JCRDAOOZFLNDKB-PKAZHMFMSA-N 444.604 6.242 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)Nc3cc(C)cc(C)c3)C2)c1 585880399 NSFINQXMRGZCNY-QHCPKHFHSA-N 448.611 5.567 30 10 IKEE C=CCN(CC=C)C(=O)Nc1cccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1 586672916 GYNRFJKKRXWZPO-UHFFFAOYSA-N 438.742 6.105 30 10 IKEE C#CCCCCC[C@@H](NCCC)c1cc(I)ccc1Br 686695041 GYNOJFIYDBGCAE-QGZVFWFLSA-N 448.186 5.678 30 10 IKEE COCc1csc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)c1 698410556 ZAFMXNVXTREHNP-MRXNPFEDSA-N 437.359 5.663 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1ccc(Cl)c(F)c1 698450708 FXMCOWFNHIBSSK-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@@H](C#N)c1ccc(Cl)cc1Br 698828480 AIYLOMLZYKLBEN-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE CCCCCCCCC[C@H](NCC)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 702480882 JRLVMOZMIRXEIH-LOSJGSFVSA-N 447.708 6.131 30 10 IKEE CSc1cnc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)s1 712921418 YVGLSIXSLVNODN-ZDUSSCGKSA-N 440.388 5.634 30 10 IKEE CCCCNC(=S)/C(=C(/O)c1ccc(C#N)cc1)[n+]1ccc(Cc2ccccc2)cc1 762441595 UWYTYUOLDANETR-UHFFFAOYSA-O 428.581 5.037 30 10 IKEE CCC(C)=NNc1nc2c(N3CCN(C(=O)c4ccccc4)CC3)c(Cl)ccc2s1 1081369879 ZCQXOHBNACFTQE-UHFFFAOYSA-N 441.988 5.110 30 10 IKEE COc1ccccc1CNN=Cc1cccc(OCc2ccc(Br)cc2)c1 1084507495 JOVRGPBYYVJSGO-UHFFFAOYSA-N 425.326 5.160 30 10 IKEE CC(C)(CSc1ccc(F)cc1F)C(=O)NCc1c(F)c(F)c(F)c(F)c1F 1088686758 PKWDEQNURRCPPE-UHFFFAOYSA-N 425.369 5.095 30 10 IKEE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNc2oc(C)nc2C#N)cc1C 1772721946 KSDBHDXOYMQLPD-UHFFFAOYSA-N 440.507 5.251 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(-c3c(Cl)cccc3Cl)o2)SC1=Nc1ccccn1 1772731406 MDKHQMKGJLGPQO-VFHVDCSJSA-N 444.343 6.272 30 10 IKEE C/C(=C1\SC(=Nc2cccnc2Cl)N(C2CCCCC2)C1=O)c1ccc(F)cc1 1772735303 SJPRJEBNVQIGIH-SVKNRIHUSA-N 429.948 6.201 30 10 IKEE Cc1c(N=Nc2ccccc2C(=O)c2ccccc2)c(O)n(Cc2ccco2)c(=O)c1C#N 1772741344 HGIJJMNKYWTWRG-UHFFFAOYSA-N 438.443 5.022 30 10 IKEE Cc1cccc(-n2cc(/C=N\NC(=S)Nc3ccc(F)cc3)c(-c3ccc(F)cc3)n2)c1 1857808914 KUGHYMVRQZGFED-VYYCAZPPSA-N 447.514 5.446 30 10 IKEE N#Cc1cccc(C(=O)Nc2cc(NC(=O)CCCOc3ccccc3)ccc2Cl)c1 1860450848 IUFMQLKMUDSSMM-UHFFFAOYSA-N 433.895 5.262 30 10 IKEE CCCCCCOc1ccc(NC(=O)C(=O)/C=C/c2ccc(OCCC)c(OC)c2)cc1 1860728889 WFMLPHPRJIQGJH-OQLLNIDSSA-N 439.552 5.664 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])[C@@H](C)CC 1861132913 BNVWSAPONYDQRS-BZYKCZEQSA-N 445.604 5.396 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)c1ccc2nc(CCC)[nH]c2c1 1861454028 PRLWFRGBDKCTHK-NRFANRHFSA-N 428.621 5.281 30 10 IKEE CCCCCCCCCCNC(=O)c1cc(CCC)n(-c2ccc(Cl)c(Cl)c2)n1 1862315105 DETOGKFWQRZQRX-UHFFFAOYSA-N 438.443 7.002 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc3c(c2)CCCC3)n(Cc2ccccc2Cl)n1 1862359204 MFRDVXLRISZABL-UHFFFAOYSA-N 445.994 5.945 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(F)cc2)cc1 1862390546 GQIIOAFGXJFTRW-HSZRJFAPSA-N 449.547 6.008 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1cccc(C)c1 1862400924 POSKVVYLPQXBCA-RUZDIDTESA-N 449.591 6.251 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@H]1c1ccc(O)cc1)c1ccccc1Cl 1862430991 WXHFUIHQBQCNTA-QHCPKHFHSA-N 447.918 5.257 30 10 IKEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccccc2F)cc1 1862474084 KCJSSZDOAPZNRZ-BXKMTCNYSA-N 445.490 5.482 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2Cl)c1 1862491204 NNTBOPQQWYFBCO-HSZRJFAPSA-N 431.919 5.735 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccccc2F)c1 1862501668 IBPNFSQSPVPWFL-HSZRJFAPSA-N 433.454 5.360 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(C(C)C)cc2)ccc1F 1862504031 LANXKUIOHPPTII-VWLOTQADSA-N 443.518 6.036 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2ccccc2C)ccc1F 1862506839 BHCZHWINDCDLQD-VWLOTQADSA-N 443.518 5.654 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc2cc[nH]c2c1 1862596940 XECSDHGALMXFRU-LDLFBNOTSA-N 430.504 5.031 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 1862614352 ABVPWDLJRPGAIU-XMMPIXPASA-N 443.518 5.902 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2[C@H](C)CC)cc1 1862655738 OKYRWVSTJORNAG-CJAUYULYSA-N 443.543 6.005 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(O)cc1 1862662404 JKTWWXHWYLRQGZ-RUZDIDTESA-N 449.591 6.454 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(OC)cc1 1862674494 YNZNUJXAUOYYIP-QHCPKHFHSA-N 439.527 5.773 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2cccc(Cl)c2)cc1 1862689455 RBQWNHYEWSGSJJ-QFIPXVFZSA-N 439.939 5.650 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(OCC)cc1 1862726750 NYKFZHHFMNRKPD-RUZDIDTESA-N 441.527 5.741 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)=C(O)C(=O)N1C1CCCCCCC1 1862736765 OAXNZAXNFSXJPT-QHCPKHFHSA-N 448.519 5.594 30 10 IKEE Cc1ccccc1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(Cl)c(Cl)c2)C1=O 1862911731 XXCYSAYULNKNHN-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE N#Cc1ccccc1NC1=C(c2c[nH]c3ccccc23)C(=O)N(CCC2=CCCCC2)C1=O 1863501443 HIQOFGIKCBPYJH-UHFFFAOYSA-N 436.515 5.122 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2Cl)C(=O)N(C2CCCC2)C1=O 1863774927 KOXMEAPPDVOSHR-UHFFFAOYSA-N 431.020 6.093 30 10 IKEE Cc1ccc(C)c2c1C[C@H](C)CN2c1cc(Nc2cccc(C#N)c2)nc(-c2cccnc2)n1 1868552671 ARNQJXXIFGQHAW-SFHVURJKSA-N 446.558 6.101 30 10 IKEE C=CCN(CC=C)c1cc(N2C[C@H](C)Cc3cc(OC)ccc32)nc(Cc2ccccc2)n1 1869076660 OSENZIQDSQZWTM-OAQYLSRUSA-N 440.591 5.585 30 10 IKEE C=CCN(CC=C)c1cc(N2C[C@@H](C)Cc3cc(OC)ccc32)nc(-c2ccc(F)cc2)n1 1869274107 RIYRTIIPKRQAOB-IBGZPJMESA-N 444.554 5.800 30 10 IKEE CCCCCCCCn1cc(OCCOc2cccc(C)c2)c(=O)cc1CSC(C)C 1870217764 CEHDRHLQZNTUHZ-UHFFFAOYSA-N 445.669 6.617 30 10 IKEE CCCCCCCCCCn1cc(OCCCCCC)c(=O)cc1CN1CCC[C@H](C)C1 1870673721 XQISJCRRQNWUMJ-VWLOTQADSA-N 446.720 7.180 30 10 IKEE C=CCn1cc(OCCOc2cccc(C)c2)c(=O)cc1CN(CCCC)CCCC 1870770867 CGWNBTPNHPRHCV-UHFFFAOYSA-N 426.601 5.203 30 10 IKEE CCCCCCCCCCn1cc(OCC(C)C)c(=O)cc1CNc1ccc(OC)cc1 1870858819 WAFTYSXTPZSDII-UHFFFAOYSA-N 442.644 6.645 30 10 IKEE C#CCOc1cn(CCC2=CCCCC2)c(CNc2ccc(OCCCC)cc2)cc1=O 1871008589 DBYIRYNGSSGWET-UHFFFAOYSA-N 434.580 5.542 30 10 IKEE C=CCn1cc(OCc2ccccc2C)c(=O)cc1CNc1ccc(N(CC)CC)cc1C 1871079305 FCMHHXYWOMPCFX-UHFFFAOYSA-N 445.607 5.688 30 10 IKEE C=CCn1cc(OCCCCOc2ccccc2)c(=O)cc1CNc1ccc(Cl)cc1 1871223742 FKMNHSRQQQLEID-UHFFFAOYSA-N 438.955 5.538 30 10 IKEE C=CCn1cc(OCc2ccccc2F)c(=O)cc1CNc1ccc(N(CC)CC)cc1C 1871245311 YNYGOXPTNPZPGS-UHFFFAOYSA-N 449.570 5.519 30 10 IKEE CCCCCCN1COc2c(cc3c(c2C)O/C(=C\c2c(F)cccc2Cl)C3=O)C1 1871353606 VCYSYDLEQRVQLH-MTJSOVHGSA-N 429.919 6.136 30 10 IKEE Cc1c(OC(=O)/C=C/c2ccc(Cl)cc2)ccc2c1O/C(=C\c1ccc(F)cc1)C2=O 1871374935 KFDOJVVAQITHJY-ZSFYTNPESA-N 434.850 6.023 30 10 IKEE Cc1c(OC(=O)Cc2cccc3ccccc23)ccc2c1O/C(=C\C=C\c1ccccc1)C2=O 1871376385 IMNSYAWRQMQVHR-PTSDONCHSA-N 446.502 6.469 30 10 IKEE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1 1871387873 CUZBWPMAJWFROW-YSMPRRRNSA-N 442.511 6.433 30 10 IKEE Cc1c(OCCCOc2ccc(Cl)cc2)ccc2c1O/C(=C\C=C\c1ccccc1)C2=O 1871404922 IAWHFEMLNPYHQP-KSOFMYDRSA-N 446.930 6.669 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)c1 1871411197 GEUDUDGWEQBXNB-GHRPQRKGSA-N 431.463 5.465 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O 1871414028 QRRIMYHQQXIKLE-HKMXWPIPSA-N 439.920 5.732 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(Cl)cc1 1872510525 CHHOFKDNMAJESQ-QFIPXVFZSA-N 449.016 5.331 30 10 IKEE CCCOc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 1872760387 NEBGRHRGJDDAFQ-HSZRJFAPSA-N 430.573 5.897 30 10 IKEE N#C[C@H](C(=O)COc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872762273 HSCBRTGVXGDVKA-OAHLLOKOSA-N 437.735 6.026 30 10 IKEE N#C[C@@H](C(=O)/C=C\c1ccc(Cl)cc1)c1nc(-c2ccc(Br)cc2)cs1 1872764884 AMCLAQMRIMORIF-ZZBREXMISA-N 443.753 6.116 30 10 IKEE CC(C)(C)c1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)n2)cc1 1872773580 QYJKDUUQZCLHFA-QARGNGGGSA-N 431.517 5.905 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4ccccc4oc3=O)n2)cc1Cl 1872789596 NXOQADVOTNOTOC-HNNXBMFYSA-N 436.876 5.069 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2)C(=O)N(CCCc2ccccc2)C1=O 1873159228 KMHGSPXDZMMNNU-UHFFFAOYSA-N 446.635 6.130 30 10 IKEE CCCCCCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N([C@H](C)CC)C1=O 1873168975 SKPPFFFHQDJGJQ-HXUWFJFHSA-N 449.639 5.923 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1cccc(C(C)(C)C)c1)n2CC 1873620197 YOUTWPXZWSCTRM-UHFFFAOYSA-N 449.643 6.773 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(OC)cc1)n2CCC 1873620201 YRWIYHCDINOTEV-UHFFFAOYSA-N 437.588 5.875 30 10 IKEE CCCCCCCCNC(=O)c1cn(-c2ccc(OC)cc2OC)c(=O)c2ccccc12 1873886362 RSWVGWZBEJKTRU-UHFFFAOYSA-N 436.552 5.098 30 10 IKEE CCCCC1CCC(c2nnc(SCCCO)n2/N=C/c2cccc(OC)c2)CC1 1874286488 JKLGQFPSGWWQFL-JJIBRWJFSA-N 430.618 5.107 30 10 IKEE C=C(C)CSc1nnc(COc2c(C)cccc2C)n1/N=C/c1c[nH]c2ccccc12 1874299579 IHZXMTLWSFTGSI-LGJNPRDNSA-N 431.565 5.506 30 10 IKEE Clc1ccc(CSc2nnc(CCOc3ccccc3)n2/N=C/c2cccnc2)cc1 1874347221 CNAAPDJKFNOUJY-WGOQTCKBSA-N 449.967 5.123 30 10 IKEE C=CCSc1nnc(COCc2ccccc2)n1/N=C/c1ccc(OCCCC)cc1 1874355021 NOSSPKIKDNBGEI-KOEQRZSOSA-N 436.581 5.334 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3C)n2/N=C/c2cccc(O)c2)cc1 1874360245 WQQDUJVVPLBHKH-WPWMEQJKSA-N 442.588 5.560 30 10 IKEE CCc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2-c2ccccc2Cl)cc1 1874365790 VNEALPOBGMKVLK-OVVQPSECSA-N 447.007 6.378 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2ccc(F)cc2F)cc1 1874387531 RMEMVOPAVFQHJE-RWPZCVJISA-N 448.542 5.938 30 10 IKEE O=[N+]([O-])c1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccccc2)cc1 1874407563 DKIONDNTDSOYQR-LFVJCYFKSA-N 435.553 5.484 30 10 IKEE COc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCc2ccc(C)cc2)cc1 1874411222 KQEFXTRHJYWHAK-BUVRLJJBSA-N 434.590 5.422 30 10 IKEE Cn1cccc1/C=N/n1c(Cc2cccs2)nnc1SCc1cccc2ccccc12 1874414057 ZQACTEZQQMYQMQ-PCLIKHOPSA-N 443.601 5.597 30 10 IKEE C=CCSc1nnc(-c2cccs2)n1/N=C/c1ccc(OCc2ccccc2C)cc1 1874423029 RAVGCRILLOCECR-PCLIKHOPSA-N 446.601 6.054 30 10 IKEE Cc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCC(=O)Nc2cccc(C)c2C)cc1 1874437096 JYVGYPHBGZJCDT-CVKSISIWSA-N 449.624 5.405 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2ccccc2)cc1 1874453004 ZBPVOSMGEQPXJR-PCLIKHOPSA-N 433.581 5.111 30 10 IKEE CC(C)Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccccc1Cl 1874487760 GVOQTGRDCLCAPQ-WSDLNYQXSA-N 429.933 5.213 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C2CCC2)c1 1874494756 XQKFWEUXTQGUOR-OEAKJJBVSA-N 437.525 5.027 30 10 IKEE CCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1/N=C/c1cccc2ccccc12 1874507223 RTBYWBZCPXJPLV-MFKUBSTISA-N 448.548 5.328 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1cccc(OCC)c1 1874508755 TXMDJWFMXVTJSY-YZSQISJMSA-N 430.577 5.957 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1/N=C/c1cccc(Cl)c1 1874509510 GEVXLBXPHWYIRW-ZMOGYAJESA-N 441.988 5.114 30 10 IKEE CC(C)c1nnc(SCc2cccc3ccccc23)n1/N=C/c1c(F)cccc1Cl 1874514865 KJJPVADTGMWNCZ-LGJNPRDNSA-N 438.959 6.522 30 10 IKEE CCOc1ccc(/C=N/n2c(C)nnc2SCc2cccc3ccccc23)cc1OC 1874532889 HKOQGCWWDDJZES-MFKUBSTISA-N 432.549 5.322 30 10 IKEE COc1cc(Br)cc(/C=C/C(=O)c2ccccc2)c1OCc1ccccc1F 1874577954 NNVOYJKZFJKWJH-VAWYXSNFSA-N 441.296 6.072 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccccc1OCc1ccccc1Cl 1874584602 WTFXMULSOJEAJY-FYWRMAATSA-N 434.963 7.121 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccccc2OCC(=O)NC2CCCCC2)cc1C(C)C 1874585624 XXGHQXLRJMQGSR-CCEZHUSRSA-N 449.591 5.851 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccccc1OCc1ccccc1Cl 1874589351 HMFPLNKPJWMVDZ-VAWYXSNFSA-N 427.327 6.786 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2cccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)c2)c1 1874597335 GSNOVYMDOYQAJD-LFIBNONCSA-N 441.571 6.515 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2cccc(OCCc3ccccc3)c2)cc1 1874597877 IYWFXDNYBIGNNU-HMMYKYKNSA-N 442.599 7.553 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1c(F)cccc1Cl 1874602310 FWXKMWBIBVHQCW-CSKARUKUSA-N 441.842 5.871 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1 1874603699 ALBXFXXFLUGVGT-QGOAFFKASA-N 439.555 6.041 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)cc3C)c(Cl)c2)c1 1874605413 OCRMSUIRWPUXSI-DHZHZOJOSA-N 449.934 5.879 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1OCc1ccccc1 1874610939 UFHFRQBIWADCBR-MDWZMJQESA-N 448.431 5.377 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Cl)c1OCc1ccc(Cl)cc1 1874618869 WYWJHWYUJOAAAG-BJMVGYQFSA-N 445.317 6.925 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OCc3cc(C)ccc3C)c(Cl)c2)c1 1874618989 CXNLVJRAKJFDEH-JXMROGBWSA-N 436.935 6.449 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OCc2ccc(F)cc2)c([N+](=O)[O-])c1 1874635893 YUFBISULFOIOSP-MDWZMJQESA-N 447.506 6.815 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(Cl)c(Cl)c3)c2)c(C)c1 1874702523 VHOKGXJAKYWIGN-DHZHZOJOSA-N 439.338 6.654 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 1874710377 ZFSURHAHQLIRHT-QDEBKDIKSA-N 435.407 5.166 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(O)c2Br)cc1OCCC 1874717438 SQNMHQZWAOSWAL-RMKNXTFCSA-N 449.341 5.637 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc([N+](=O)[O-])c1OC(=O)C1CCC1 1875095603 XXWVKKIHVCBTRN-JLHYYAGUSA-N 445.471 5.748 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)c1cccnc1 1875124513 OLSHFLCZFHWWSB-CMDGGOBGSA-N 442.298 5.902 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2Cl)cc1 1875127895 DJTVPFPVCJGBRO-RVDMUPIBSA-N 434.919 6.173 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])c1 1875135767 HCZZNCAVLYCQPD-MDWZMJQESA-N 445.471 5.346 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Br)c1OC(=O)C(C)(C)C 1875137125 XCNYVQSETFABID-FMIVXFBMSA-N 445.353 6.004 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OC 1875142801 UUYVOCGWKJSXRS-UKTHLTGXSA-N 448.490 5.586 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)Cc1ccc(C)c(C)c1 1875151595 SNWFBNAOSUJYNZ-RMKNXTFCSA-N 444.483 5.085 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1OCC 1875154520 ITBLRNIZTTZEDE-FBMGVBCBSA-N 430.544 7.010 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3F)c(Cl)c2)cc1 1875155923 WADNSBYJGKZRDT-NTUHNPAUSA-N 436.910 6.647 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1C 1875175277 HUWMWJZRNRVSCS-JXMROGBWSA-N 435.863 5.980 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)CC1CCCCC1 1875185558 YSJXASDVERPXFY-NTCAYCPXSA-N 448.603 7.073 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1[N+](=O)[O-])c1cccnc1 1875189429 PNNZBYOENOWTHU-XVNBXDOJSA-N 443.242 5.412 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(F)cc2F)cc1 1875193146 UVRIBNWOCSRUAW-ONNFQVAWSA-N 428.818 5.742 30 10 IKEE C#Cc1cc(CC(=O)OC)cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c1C 1887520786 LFIGOJCHZYEAMI-UHFFFAOYSA-N 425.484 5.053 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)CCCSCc3ccccc3)ccc21 1890712159 VLAKLOSWROAMKK-UHFFFAOYSA-N 438.593 5.276 30 10 IKEE C=CCC1(NCc2ccc(Cl)cc2Br)CCN(C(=O)OC(C)(C)C)CC1 1924541867 GEIGMNDUAABHDB-UHFFFAOYSA-N 443.813 5.538 30 10 IKEE Cc1cc(Br)c(F)c([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2C)c1 1927527964 HHOXXGIGVOZKNF-SFHVURJKSA-N 433.321 6.211 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C)([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 2022138085 NAOUANZTCIOOKV-NTKDMRAZSA-N 435.609 5.486 30 10 IKEE CCCCC#CC[C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2024371776 VMVJYTCEFPOBBN-YFNKSVMNSA-N 430.633 5.437 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)cc1 2032001775 XQQNNBYGPJXXTI-MHPIHPPYSA-N 443.588 5.664 30 10 IKEE O=C(C=Cc1ccc(-c2ccccc2Br)o1)c1ccc(N2CCOCC2)cc1 2040963561 HHYLNDUEXQCOKD-UHFFFAOYSA-N 438.321 5.442 30 10 IKEE C=CCCCC[C@@H](NCCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2059117554 HESUKZIHGPOJFZ-SQHAQQRYSA-N 444.660 5.945 30 10 IKEE CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2067956387 MUGXUIHKCCKANP-NTKDMRAZSA-N 447.551 5.495 30 10 IKEE Cc1ccc([C@H](n2nc(C(C)C)c(C#N)c2I)C(C)(C)C)cc1F 2079089656 SOPNUNLJVADSPO-KRWDZBQOSA-N 439.316 5.566 30 10 IKEE CC(C)c1ccc([C@@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C(C)(C)C)cc1 2079955675 DUQUIWALSGVYRW-LJQANCHMSA-N 432.406 6.264 30 10 IKEE N#Cc1cnc2c(-c3ccc(C(F)(F)F)cc3Cl)c(C3CCCC3)nn2c1Cl 2081201874 YRWZYNYLJNNHMH-UHFFFAOYSA-N 425.241 6.251 30 10 IKEE CC1(C)OB(c2cccc(C(=O)N(Cc3ccccc3)CC3CCCCC3)c2)OC1(C)C 2134985982 YFEJCRXCBPWCSS-UHFFFAOYSA-N 433.401 5.209 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)Nc2cc(Br)c(Cl)cc2C)C1 2138108981 LUWNZEDCUIPTJI-UHFFFAOYSA-N 443.769 5.211 30 10 IKEE CCCCCCCC[C@@H](NC)c1ccc(Br)cc1I 2142278683 GQMCOTIRAWNLLY-MRXNPFEDSA-N 438.191 6.065 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1ccc(Br)c2cccnc12 2164266999 YBIJZSMBOOHHDB-QFIPXVFZSA-N 425.370 5.811 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(F)c(Br)c(F)c1 2207154636 QATBPYQLWRPYSF-SJLPKXTDSA-N 445.348 5.075 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1sc(C)c(C)c1Br 2221826129 FOWYQGBLUHIIFC-GOEBONIOSA-N 429.424 5.085 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C 2235730411 OQOAUBWQIOBOLH-IEBWSBKVSA-N 437.422 5.108 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)[C@](C)(CC)CNC(=O)OC(C)(C)C 2235748069 WFTXDUXGQWJKQT-DENIHFKCSA-N 437.422 5.110 30 10 IKEE CCCCCCCC[C@@H](O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237394991 VVPSZMKVRNOKPW-VQTJNVASSA-N 442.438 5.996 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)C1=CCC(F)(F)CC1 2237402047 FNFUIXZLXWDSLL-INIZCTEOSA-N 444.316 5.200 30 10 IKEE CC1(C)OB(c2ccc(F)cc2C(=O)N(Cc2ccccc2)C2CCCCC2)OC1(C)C 2266984659 MMLWPVJFPRPUAV-UHFFFAOYSA-N 437.364 5.100 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3ccccc3c2O)cc1COc1cccc(C)c1C 2296417243 FIDBMWCMAPYQQU-UHFFFAOYSA-N 438.523 6.646 30 10 IKEE CCCN(CCC)C[C@H](O)Cn1cc(C=CC(=O)c2ccc(OCC)cc2)c2ccccc21 2297359290 HCFKZLXAHFGJTC-DEOSSOPVSA-N 448.607 5.419 30 10 IKEE O=C1C(=Cc2ccc(-c3ccccc3)cc2)Oc2c1ccc1c2CN(C2CCCCC2)CO1 2297501521 UYJCFJNWGIPQSF-UHFFFAOYSA-N 437.539 6.454 30 10 IKEE C=CCOC(=O)C=Cc1cc(Br)c(OCc2ccccc2Cl)c(OC)c1 2314014004 KJPXVQNDFRDGCX-UHFFFAOYSA-N 437.717 5.433 30 10 IKEE COc1ccc(N=C2NC(=O)SC2=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 2314480544 GXAHIFZWOVIPMC-UHFFFAOYSA-N 445.327 6.790 30 10 IKEE FC(F)(F)c1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cnc2ccccc2n1 2321784402 HZEZGLVBENYWNU-UHFFFAOYSA-N 448.861 5.068 30 10 IKEE Cc1cc(OCc2ccc(Cl)c(Cl)c2)cc2c1C(=O)C(=Cc1ccc(F)cc1)O2 2321787441 IUZNWZGVITWSOU-UHFFFAOYSA-N 429.274 6.636 30 10 IKEE Cc1c(OCC=Cc2ccccc2)ccc2c1OC(=Cc1ccc(Cl)cc1Cl)C2=O 2321817156 WWZWWGITVHFNPV-UHFFFAOYSA-N 437.322 7.010 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O3)CN(CCCCCO)CO2 2322095682 XXEHXAJXPSADQZ-UHFFFAOYSA-N 448.346 5.233 30 10 IKEE CCCCC1CCC(c2nnc(S)n2N=Cc2cc(OC)c(O)c(OCC)c2)CC1 2322106816 YGCXMUAZPHHWMT-UHFFFAOYSA-N 432.590 5.026 30 10 IKEE Cc1cc(C)cc(OCCN2COc3cc(C)c4c(c3C2)OC(=Cc2ccco2)C4=O)c1 2322193269 SPHBRISKLXUZGE-UHFFFAOYSA-N 431.488 5.052 30 10 IKEE Cc1cc(OCc2nnc(S)n2N=Cc2c(Cl)cccc2Cl)ccc1Cl 2322211015 FSAQFINZQHUWQR-UHFFFAOYSA-N 427.744 5.297 30 10 IKEE Cc1ccccc1COc1ccc(Cl)cc1C=CC(=O)c1cccc(Br)c1 2322464843 VSUCUKVTEMZDJE-UHFFFAOYSA-N 441.752 6.886 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C)cc2C)c1OCC(=O)Nc1ccccc1C 2322579800 LFWMPTGZUCEYJE-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE Cc1c(OC(=O)c2ccc(C(C)(C)C)cc2)ccc2c1OC(=Cc1ccccc1F)C2=O 2322736775 WDYXLICYNXPMIA-UHFFFAOYSA-N 430.475 6.267 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cc(Br)ccc1OCCO 2322769010 LRHPHSPZXZEPGO-UHFFFAOYSA-N 433.342 5.022 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCSC)NC(=O)C=Cc1cccc(Cl)c1 2323154284 RARCIWCCCFXLIC-FQEVSTJZSA-N 425.038 5.068 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1OCc1ccc(Cl)c(Cl)c1 2323212645 PIBQYWATBPHQIP-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OCc2nc(O)c3ccccc3n2)c(Cl)c1 2323701338 FCTSSCLTQWXRTR-UHFFFAOYSA-N 446.890 5.473 30 10 IKEE Cc1c(OC(=O)C=Cc2ccccc2)ccc2c1OC(=Cc1c(F)cccc1Cl)C2=O 2323746083 SPEHNPWXRNHLAG-UHFFFAOYSA-N 434.850 6.023 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccccc2)cc1Br)NC1CCCCC1 2323809174 GWIVHCBDSLTFCX-UHFFFAOYSA-N 442.353 5.173 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OCc1c(F)cccc1Cl 2323812555 XPVQFAIREJTVFD-UHFFFAOYSA-N 445.317 7.006 30 10 IKEE C=CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1 2323865275 DASCQCAXSZVUKI-UHFFFAOYSA-N 430.431 5.534 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3c(CN4CCCCCC4)c(O)cc(C)c3C1=O)cn2C 2324070629 VFILOWBIWDZHPG-UHFFFAOYSA-N 446.547 5.193 30 10 IKEE O=C(C=Cc1ccc(OCc2c(F)cccc2Cl)c(Cl)c1)c1ccc2c(c1)OCO2 2324084374 BXWILTGRHSYPFU-UHFFFAOYSA-N 445.273 6.336 30 10 IKEE Cc1cc(O)c(CN2CCOc3ccccc32)c2c1C(=O)C(=Cc1ccccc1Cl)O2 2324155709 CHMCRJRGTUIUAW-UHFFFAOYSA-N 433.891 5.369 30 10 IKEE CCn1cc(C=C2Oc3cc(OCCOc4ccccc4)ccc3C2=O)c2ccccc21 2324220434 HBRCXOBZROBHMC-UHFFFAOYSA-N 425.484 5.735 30 10 IKEE CCCCCCOc1cc(C)c2c(c1)OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O 2324261663 AFEZXSZXQUXZJT-UHFFFAOYSA-N 428.912 6.090 30 10 IKEE Cc1ccsc1C=C1Oc2cc(O[C@H](C)C(=O)Nc3ccc(F)cc3)cc(C)c2C1=O 2324324741 VXBFFOJBVSHKCK-OAHLLOKOSA-N 437.492 5.526 30 10 IKEE COc1ccccc1C=C1Oc2cc(O[C@@H](C)C(=O)Nc3ccccc3)cc(C)c2C1=O 2324404345 PEHAXVCXZUXXBF-KRWDZBQOSA-N 429.472 5.026 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2cccc(C)c2)C3=O)cc1 2324483937 BUEXCTGKJHVNPS-IBGZPJMESA-N 441.527 5.888 30 10 IKEE Cc1cc(OCCOc2ccc(C(C)(C)C)cc2)cc2c1C(=O)C(=Cc1ccccc1F)O2 2324690319 HLYGJRSUEZUWCH-UHFFFAOYSA-N 446.518 6.506 30 10 IKEE COc1ccc(C)cc1NC(=O)COc1ccc2c(c1C)OC(=Cc1cccs1)C2=O 2325119195 AAUUAJJVVCMIBP-UHFFFAOYSA-N 435.501 5.007 30 10 IKEE COc1ccc(C(=O)Oc2cc(C=CC(=O)c3ccc(OC)c(C)c3C)ccc2OC)cc1 2325755055 IPAFOZLOCWBXAN-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1cccc(OC)c1 2326075150 GJKBJLNGEKLKHD-UHFFFAOYSA-N 444.988 5.336 30 10 IKEE CCCCCCCOc1ccccc1C=Nn1cnnc1SCc1ccc(F)cc1 2326236471 GZXQKERQPZMFEJ-UHFFFAOYSA-N 426.561 5.941 30 10 IKEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1cccc(C(F)(F)F)c1 2326511985 ILTJWEBHIYYOJH-UHFFFAOYSA-N 445.297 6.087 30 10 IKEE Cc1ccccc1OCCCc1nnc(SCc2ccccc2)n1N=Cc1ccncc1 2327094620 NCZMTBUCPNFQQK-UHFFFAOYSA-N 443.576 5.168 30 10 IKEE CCCCOc1ccc(C=Nn2c(COc3ccc(Cl)cc3)nnc2SCC)cc1 2327543750 ZGAGZKQDSKILOR-UHFFFAOYSA-N 444.988 5.684 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccc(Cl)cc3)n2N=Cc2ccccc2)c1 2329102307 RGTLVRVBYNHMSD-UHFFFAOYSA-N 447.007 6.314 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2C)n1N=Cc1ccc(F)cc1 2329470069 NJYPGORNMXLHPE-UHFFFAOYSA-N 444.579 5.994 30 10 IKEE C=C(C)CSc1nnc(CCc2cccs2)n1N=Cc1ccc(Cl)c(Cl)c1 2329662911 NPPVNMVEQFTSEK-UHFFFAOYSA-N 437.421 5.982 30 10 IKEE Fc1ccc(Cc2nnc(SCc3ccccc3Cl)n2N=Cc2cccs2)cc1 2329842605 CHCFOTIHEUWHTH-UHFFFAOYSA-N 442.972 5.897 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(F)c3)n2N=Cc2ccccc2C)cc1 2329955524 PSLSUOVNIRGWFC-UHFFFAOYSA-N 430.552 5.799 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2)n1N=Cc1ccccc1C(=O)O 2330108584 WRSAEJSOBRRKQT-SFHVURJKSA-N 442.544 5.303 30 10 IKEE CCCSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1cc(Br)ccc1O 2330123578 PSBHFTNRHGTOPP-AWEZNQCLSA-N 445.386 5.282 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cccc(OC)c3)cc2[N+](=O)[O-])cc1 2330785611 UPTOISZOZYQUPA-UHFFFAOYSA-N 447.443 5.117 30 10 IKEE Cc1ccccc1C=Nn1c(CC(C)(C)C)nnc1SCc1ccc(Cl)cc1Cl 2330873352 ANOFJKOQRXAZIO-UHFFFAOYSA-N 447.435 6.656 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3OC)c(OC)c2)cc1C 2330880176 MHWYKGAFUKEGFX-UHFFFAOYSA-N 446.499 5.065 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2ccc(Cl)cc2)cc1 2331381174 RXNJUEZZFBASDB-UHFFFAOYSA-N 441.988 5.150 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccc(Cl)cc1 2331386769 MGHKGMJPNDZZMQ-UHFFFAOYSA-N 429.933 5.312 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2Cl)cc1 2331414190 NCAKUAZXVNFNAI-UHFFFAOYSA-N 446.974 6.990 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2sccc2C)cc1 2331494520 YBUOUWSXOJAWLC-UHFFFAOYSA-N 439.610 5.091 30 10 IKEE CCCC(=O)Oc1c(OCC)cc(C=CC(=O)c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] 2331500412 FNPQREUSCLHXTP-UHFFFAOYSA-N 425.481 5.719 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccn2)c(Br)c1)c1ccc(F)c(F)c1 2331558915 RRXQIFKUXYBOEK-UHFFFAOYSA-N 444.231 5.238 30 10 IKEE CCCc1nnc(SCC)n1N=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2331645605 TYDVUWCFANVKKG-UHFFFAOYSA-N 449.407 6.111 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)c3ccccc3F)cc2)c1 2331674002 RXHANMTUHBAACH-UHFFFAOYSA-N 434.463 5.738 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccccc1C(=O)O 2331708476 QFWQAYXZIBUOCU-UHFFFAOYSA-N 449.363 5.581 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc([N+](=O)[O-])c1OC(=O)CC(C)(C)C 2331708514 TXUDHFVONGDSGL-UHFFFAOYSA-N 439.508 5.848 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)ccc1OC(=O)c1ccco1 2331759153 UUYCEJBXURZDMG-UHFFFAOYSA-N 426.852 5.374 30 10 IKEE C[C@H](CCCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)CNC(=O)OC(C)(C)C 2339600163 LHHOREMCWFBRDR-KAUXGEHWSA-N 446.397 5.046 30 10 IKEE CCC1CCC(C=O)(Cc2ccc(I)c(Br)c2)CC1 2349845725 RNUDQKLPBYJLMP-UHFFFAOYSA-N 435.143 5.382 30 10 IKEE CO[C@H](C#C[C@H](N)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1)C1CCCC1 2369630276 AWIXOXQBGIRTOS-RBUKOAKNSA-N 437.378 5.005 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(C(C)C)cc2)cc1 5924738 AUIIHNCJRUDSLF-HSZRJFAPSA-N 447.556 6.053 30 10 IKEE C=CCN1C(=O)[C@H](CC(=O)c2ccc(C)c(C)c2)S/C1=N\c1cccc2ccccc12 15055323 ODBHVLJEUQUYMH-QWEPBSKHSA-N 428.557 5.847 30 10 IKEE Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(-c4ccc([N+](=O)[O-])cc4)c32)cc1 20134791 HPAJNZJCAJFVDT-HXUWFJFHSA-N 428.492 5.494 30 10 IKEE CN(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(O)cc2)cc1 21230310 PSLLQZKSDIXQCE-WINIVTDRSA-N 425.532 5.438 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2C(F)(F)F)cc1 21259916 GGKMICAREQAZDU-YJBOKZPZSA-N 429.438 5.108 30 10 IKEE COc1ccc(/C=C2\S/C(=N/Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1C 27527980 BAQGGTWHWFIMHJ-AGGBOBLOSA-N 428.557 5.676 30 10 IKEE CCn1nc(C)c(CCN/C(=N/C(=O)c2cc(C)cc(C)c2)Nc2cc(C)ccc2C)c1C 32973233 SFFXZCFKVSPIBR-UHFFFAOYSA-N 445.611 5.194 30 10 IKEE Cc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(Sc4nc5ccccc5[nH]4)o3)S2)cc1C 33293968 HXPAHSAEJQQVQZ-XDHOZWIPSA-N 446.557 5.816 30 10 IKEE COc1ccc(Br)c(/C=C2/S/C(=N/c3ccc(C)c(Cl)c3)NC2=O)c1 33348327 YPZAXSICXQQUND-LZYBPNLTSA-N 437.746 5.311 30 10 IKEE O=C1/C(=C/c2ccc(Br)cc2)Oc2cc(OCc3ccc(F)cc3)ccc21 33367711 WAJXKNVAPGVPRC-NHDPSOOVSA-N 425.253 5.783 30 10 IKEE C/C(=N/OCc1ccccc1C)c1cc(-c2ccccc2)n(-c2cccc(Cl)c2)c1C 35843374 MEXXIZJGCVLWJD-BRPDVVIDSA-N 428.963 7.355 30 10 IKEE C=CCOc1ccccc1/C=C1\S/C(=N/c2nccs2)N(C2CCCCC2)C1=O 39865059 DIDSIXXXECXMRC-HVYSLKEZSA-N 425.579 5.645 30 10 IKEE Cc1csc(/N=C2/S/C(=C\c3ccccc3[N+](=O)[O-])C(=O)N2C2CCCCC2)n1 39865630 ICCMGDRGFDSVSE-XAEZOWLJSA-N 428.539 5.296 30 10 IKEE Cc1ccc(/N=C2/NC(=O)/C(=C\c3cccn3-c3ccc(Br)cc3)S2)cc1 59302549 AQKDKKRILJVPFC-CPNJWEJPSA-N 438.350 5.440 30 10 IKEE CCCCCCN(CCCCCC)CN1C(=O)/C(=N\c2ccc(C)cc2C)c2ccccc21 59372694 DBXXWTMFQGYWEJ-HYOGKJQXSA-N 447.667 7.191 30 10 IKEE COc1ccc(-c2nc(SC)nc(Nc3cccc4c(O)cccc34)c2C#N)cc1OC 62039780 OFKXMEUXTZJUGB-UHFFFAOYSA-N 444.516 5.357 30 10 IKEE CCC(=O)Nc1ccc(/C(C)=N\OCc2ccc(C(=O)Nc3ccc(OC)cc3)cc2)cc1 97117870 ZUHUMRIEYJKDGH-MIXAMLLLSA-N 445.519 5.237 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@@H]2c2cccc(C)c2)cc1 169967157 NCMPVRGBJVHMFK-RUZDIDTESA-N 441.527 5.345 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@@H]2c2cccnc2)ccc1F 170008242 GIRCTAZLBFWGFN-XMMPIXPASA-N 438.458 5.465 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C)c2)c1 170035855 YQNYRIUABVOVOZ-QHCPKHFHSA-N 447.918 5.830 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(Cl)cc2)=C(N(CC)c2ccccc2)C1=O 170069830 OBQDIQSIPVKJMI-UHFFFAOYSA-N 438.999 6.307 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2C2CCCC2)cc1 170116928 CCWYHECKFWYEOR-HSZRJFAPSA-N 435.520 5.003 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1c1ccccc1 170122506 FBLHTZIWJHAOGA-DEOSSOPVSA-N 443.499 5.265 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1ccccc1OC 170125056 HZEYWVDVBYSUBF-HSZRJFAPSA-N 435.564 5.680 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2cccs2)c1 170139086 VVUZKCYZUIYYKA-QFIPXVFZSA-N 429.497 5.581 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2cccc(C)c2)cc1C 170140300 WWIBRLHQFCACQV-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(C)c4)[C@@H]3c3cccs3)oc12 170156738 OYBNVDBTDQLWAW-OAQYLSRUSA-N 445.496 5.594 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccs2)c1C 170158779 VGXVQTYACNSZHR-JOCHJYFZSA-N 429.497 5.894 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2cccs2)c1 170160343 JVSBRARPDYXEJX-IBGZPJMESA-N 425.893 5.198 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccncc2)cc1 170204160 WOIMTXJOONGWSF-QFIPXVFZSA-N 448.906 5.305 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C2CCCC2)c1 170218688 WRYNVSYWHKEWJP-VWLOTQADSA-N 445.559 5.485 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccccc1 170221603 OVNNBIMWRMUQGQ-FQEVSTJZSA-N 439.920 5.189 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2ccccc2)cc1C 170227887 FGEDJGIEJMYXGC-DEOSSOPVSA-N 443.499 5.191 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1ccccc1F 170253131 YTCGTWUXJYTXBZ-QFIPXVFZSA-N 425.500 5.381 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccco2)ccc1OC(C)C 170279831 PCSAWRBEEPNPDX-OAQYLSRUSA-N 437.517 5.215 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccco1 170292436 SEZSTXUHLCJCNF-QFIPXVFZSA-N 430.504 5.059 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccco2)cc1C(C)(C)C 170295618 KXECTRIXPJRITN-QFIPXVFZSA-N 437.536 5.497 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(C)o2)cc1 170300816 CBKUQXFQBWOJMZ-HSZRJFAPSA-N 431.488 5.250 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1C1CCCCC1 170317481 RHZBAOCTXFIPEZ-QFIPXVFZSA-N 435.589 5.846 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(N3CCCC3)cc2)c1 170342492 ANMMLZMJRBUCRY-RUZDIDTESA-N 438.527 5.378 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2cccc(OCC(C)C)c2)c1 170365814 PEPVKDPMWKMCGD-DEOSSOPVSA-N 442.515 5.208 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccc(O)c(Cl)c1)c1cccs1 170368882 FPCMOGYSHIGLOF-SFHVURJKSA-N 446.311 5.543 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2cccc3ccccc23)c1 170369394 IJEMBSZOTOQBJV-QHCPKHFHSA-N 425.440 5.224 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2cccc3ccccc23)[C@@H]1c1ccc(C(C)(C)C)cc1 170469652 AZLCTAHYALKJHV-AREMUKBSSA-N 441.571 6.653 30 10 IKEE N#C[C@H](CNc1ccc(Br)c(I)c1)C1CCCCC1 397389054 XOMRTGJKEZNMDX-GFCCVEGCSA-N 433.131 5.186 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccc(F)c2)cc1Cl 526492448 XTRHRCNGEGZBSA-HSZRJFAPSA-N 448.881 5.807 30 10 IKEE CC(C)COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(O)cc2)c1 526604650 KLQHTTPFFZJFOK-VWLOTQADSA-N 440.499 5.356 30 10 IKEE CCCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccc(C(C)(C)C)cc2)cc1 526805030 CQSDGLPQZCHKFI-ONUIUJJFSA-N 436.625 6.101 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1cccc(OC)c1OC 526807203 NKSJFLQFFHZHHO-OYKKKHCWSA-N 444.988 5.466 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccc(OCC)cc1 526811952 WBBVZRMCZMCNGW-IWIPYMOSSA-N 428.989 5.847 30 10 IKEE Cc1nnc(SCc2cccc3ccccc23)n1/N=C\c1cccc(OCC(C)C)c1 526821555 YJSHGHUWGOCNDI-YSMPRRRNSA-N 430.577 5.949 30 10 IKEE CC(C)Oc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)[C@H](C)c2ccccc2)cc1 586151267 RMSGARFMLNAYAP-HXUWFJFHSA-N 434.561 5.298 30 10 IKEE COc1ccc(C)cc1S(=O)(=O)N(Cc1cccc(C#N)c1)c1ccc(F)c(Cl)c1 586244277 AALSDQDVMKGFOA-UHFFFAOYSA-N 444.915 5.063 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@H](CNC(=O)OC(C)(C)C)C(C)C 698483557 CJCMZBORCWIHQN-MJGOQNOKSA-N 447.576 5.126 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@]1(C#N)CCOc2ccc(Br)cc21 698872934 HRGLKXJXJMZQEH-FQEVSTJZSA-N 449.370 5.449 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@]1(C#N)CCCN(C(=O)OCc2ccccc2)C1 720793857 AVGFWULDDKGJLI-SANMLTNESA-N 449.551 5.119 30 10 IKEE C=C(CC[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]12C 1082881191 HKRMRIDUAZDXGO-YNBXMCATSA-N 440.712 7.754 30 10 IKEE O=C(Nc1ccccc1)[C@@H]1CC(=O)N(Cc2cccs2)C(=Nc2ccc(F)cc2)S1 1084181317 GFICGGACJTVXAI-IBGZPJMESA-N 439.537 5.048 30 10 IKEE CC(C)Sc1n[nH]c(NN=Cc2ccccc2OCc2cccc(Br)c2)n1 1084574337 OXVSGNBZRDQGDX-UHFFFAOYSA-N 446.374 5.093 30 10 IKEE COc1cccc(C[C@H]2Nc3cc4cc(C)ccc4nc3S/C2=N/c2cccc(C)c2)c1 1614363231 RUVCZBYRZIMFIQ-KXYXFYQNSA-N 439.584 6.719 30 10 IKEE CN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=Nc1nc(-c2ccccc2)cs1 1772739143 PTECVQMRNPSKKU-GMFWLFBISA-N 446.384 6.351 30 10 IKEE C/C(C=NN=C1S/C(=C\c2ccccc2F)C(=O)N1Cc1ccco1)=C\c1ccccc1 1772759117 LUQPNGUDHMEXCB-FNDBNHCESA-N 445.519 5.981 30 10 IKEE CCCSc1ccc(C(=O)Nc2c(C#N)cnn2-c2cc(C)c3cccc(C)c3n2)cc1 1859750193 PEURYNIQKLRQKN-UHFFFAOYSA-N 441.560 5.663 30 10 IKEE Cc1cccc(OCC(=O)Nc2cc(NC(=O)c3cccc(C#N)c3)ccc2Cl)c1C 1860461600 IHRMEIXHKDXBBY-UHFFFAOYSA-N 433.895 5.098 30 10 IKEE N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(OCc4ccccc4)cc3)n2)c1 1860566136 DWRGOITUKNLREZ-UHFFFAOYSA-N 448.482 5.037 30 10 IKEE N#Cc1cccc(C(=O)Oc2ccc(C3CCN(C(=O)/C=C/c4ccccc4)CC3)cc2)c1 1860700110 YAKBCKRICPRNHX-NTEUORMPSA-N 436.511 5.197 30 10 IKEE COc1cc(/C=C/C(=O)C(=O)Nc2cccc3ccccc23)ccc1OCc1ccccc1 1860728633 RIIHGSYOYMSQRD-JQIJEIRASA-N 437.495 5.648 30 10 IKEE C[C@@H](Sc1nc(O)c(C#N)c(-c2ccccc2Cl)n1)C(=O)Nc1ccc(Cl)cc1 1860826952 LZFYNNHDROMEFH-LLVKDONJSA-N 445.331 5.147 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)CCc1ccc(C)cc1 1861092337 QVOZVKWOFUTYPY-HSZRJFAPSA-N 434.690 5.422 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccccc2C)cc1 1862390134 WLJYPTARCTYIMN-QPPBQGQZSA-N 433.548 5.095 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862406372 ODSCZUQSWHPUHT-GAJHUEQPSA-N 437.536 5.169 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccccc1Cl 1862417524 SXAWCFWLWIDJQL-FQEVSTJZSA-N 449.881 5.012 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(C(F)(F)F)cc1 1862441970 AKVIXYWKCHWJJS-GOSISDBHSA-N 437.845 5.593 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862480514 INMNRVPHZWMRDY-GAJHUEQPSA-N 442.471 5.243 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccc(F)cc2)cc1 1862501949 OGRMJRHHNQGPDK-XMMPIXPASA-N 447.481 5.403 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(Cl)cc1 1862557927 QVRRPRIKPRNTBG-QRQCRPRQSA-N 432.907 5.262 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862559830 YGRXSFZEUSJKNP-DEOSSOPVSA-N 448.563 5.359 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1F 1862583953 NDKIBAGJLCNZOM-QGZVFWFLSA-N 426.246 5.260 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(Cl)cc1 1862617908 LOYSCGNMXTXFQD-JOCHJYFZSA-N 439.983 6.406 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(OC)c(OC)c1 1862655401 HTFKDKGZOHPABB-VOIUYBSRSA-N 445.515 5.234 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(O)cc1 1862662739 LOUVLEJUCYHSFO-WIOPSUGQSA-N 449.591 6.453 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(Cl)c2)cc1 1862675626 POSZTHGBRANUCN-HSZRJFAPSA-N 449.909 5.609 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862690808 FNTGERJABJKDHJ-OHOZJJFFSA-N 444.531 5.334 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(C(C)C)cc1 1862702158 VRVCFIMIHMIOGB-DEOSSOPVSA-N 435.564 5.977 30 10 IKEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccccc1Cl)c1ccc2ccccc2c1 1862712054 ISMWLLIWIKPITG-WMZHIEFXSA-N 447.918 5.251 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(Cl)cc2)[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 1862737246 UYPPECGMLDCVEN-NRFANRHFSA-N 448.862 5.027 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(F)c(Cl)c3)C(=O)N(c3ccccc3C#N)C2=O)cc1C 1862885469 VLIUIZLPRJUFHZ-UHFFFAOYSA-N 445.881 5.364 30 10 IKEE Cc1ccc(C2=C(Nc3ccc4ccccc4c3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862897244 DJINFBPYVGINKE-UHFFFAOYSA-N 429.479 5.417 30 10 IKEE Cc1cc(C)cc(NC2=C(c3ccc(F)c(C)c3)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1863095596 VTHNKBHXQWTAFH-UHFFFAOYSA-N 425.463 5.019 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(C)cc2)=C(c2ccc(C)c(C)c2)C1=O 1863250969 JQCVCGCIHNTWMD-UHFFFAOYSA-N 446.635 6.945 30 10 IKEE CCCCCCCCCCn1cc(OCC(N)=O)c(=O)cc1CSCc1ccccc1 1870185572 CUEQFCOLBAHOOO-UHFFFAOYSA-N 444.641 5.287 30 10 IKEE C#CCOc1cn(CCCCc2ccccc2)c(CSc2ccc(Cl)cc2)cc1=O 1870300512 IXOCZWAKTZERPH-UHFFFAOYSA-N 437.992 5.829 30 10 IKEE CCCCCCCCCCn1cc(OCc2ccc(C)cc2)c(=O)cc1CN1CC(O)C1 1870768668 JMNZVADYEDPERJ-UHFFFAOYSA-N 440.628 5.053 30 10 IKEE C=CCOc1cn(CCCOCCCC)c(CNc2ccc(Cl)c(Cl)c2)cc1=O 1870810478 DZFUPXQNOUSVIH-UHFFFAOYSA-N 439.383 5.539 30 10 IKEE CCCCCCCCn1cc(OCC(C)C)c(=O)cc1CNc1ccc(Cl)cc1C 1870858006 PLNMENKLSJGEDP-UHFFFAOYSA-N 433.036 6.818 30 10 IKEE C=CCn1cc(OCCc2ccccc2)c(=O)cc1CNc1ccc(N2CCCCC2)cc1 1871141453 UPWWDCNKCHKHBL-UHFFFAOYSA-N 443.591 5.258 30 10 IKEE CCCCCCCCNC(=O)c1cc(-c2ccc(C)cc2)c2cc(OC)c(OC)cc2c1 1871319087 CWMPDQNWIOCROE-UHFFFAOYSA-N 433.592 6.923 30 10 IKEE CCCCCCCCCCN1COc2ccc3c(c2C1)O/C(=C\c1sccc1C)C3=O 1871348273 BKFNRHQUTWSIRX-KQWNVCNZSA-N 439.621 6.965 30 10 IKEE CCCCCCCCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccccc1C)C3=O 1871350466 HLZWNHAOJDZMSQ-ITYLOYPMSA-N 447.619 7.212 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1c(F)cccc1Cl)O3)CN([C@H]1CCCC[C@H]1C)CO2 1871351116 KSFAAOLTXYFSRA-HFIKXGLWSA-N 441.930 6.134 30 10 IKEE COc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3cccc(Cl)c3)C4)C2=O)cc1 1871355778 VBVVEKYJTGXUMS-KSEXSDGBSA-N 447.918 5.625 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc(C)c2C1=O 1871373624 QERNKTNQFWRXSM-UUYOSTAYSA-N 429.428 5.355 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OC(=O)c3ccc(/C=C/C(=O)O)cc3)c2C)C1=O 1871381889 HLUFGBRSFDEKSQ-DYAARSSKSA-N 440.451 5.237 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cn(C)c4ccccc24)C3=O)cc1 1871387450 VXTIFZKTOPOUBW-QFEZKATASA-N 439.467 5.412 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(OCC)cc4)cc(C)c3C2=O)cc1 1871387494 YJHZSLPHFDOYOE-IWIPYMOSSA-N 444.483 5.628 30 10 IKEE Cc1cc(O[C@H](C)C(=O)OC(C)C)cc2c1C(=O)/C(=C/c1ccc(Cl)cc1Cl)O2 1871400794 LLYRBZNUEXBJRC-OPCBQMRQSA-N 435.303 5.637 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OCCCOc4ccc(Cl)cc4)c3C)C2=O)cc1 1871404503 BXLZFRYDZQCTMQ-UQQQWYQISA-N 448.946 6.675 30 10 IKEE CCc1ccc(OCCCOc2ccc3c(c2C)O/C(=C\c2ccccc2C)C3=O)cc1 1871413096 STUORXHPPNHEJI-ITYLOYPMSA-N 428.528 6.330 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OCC(=O)N[C@@H](C)c4ccccc4)c3C)C2=O)c1 1871424595 OTSPIHUPEFGZGH-OQLNFPPLSA-N 427.500 5.176 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1ccc2c(c1C)O/C(=C\c1ccccc1C)C2=O 1871429312 OUSDNRVBHKCDEW-QYJRXKHCSA-N 436.548 6.201 30 10 IKEE Cc1c(OCC(=O)Nc2cc(Cl)ccc2Cl)ccc2c1O/C(=C\c1ccco1)C2=O 1871457784 YOXIHYJANUMKNY-GRSHGNNSSA-N 444.270 5.529 30 10 IKEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccs1 1871792861 QUWXBQHBZPLXLH-INIZCTEOSA-N 447.409 5.039 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[C@H](C)CC)S(=O)(=O)c1ccccc1 1872027101 ZJQYGXXRMIRDDH-XXBNENTESA-N 442.625 5.214 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)CCCC 1872355801 SHNQKGOPCFIWDZ-LJQANCHMSA-N 448.551 5.067 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 1872407384 MZSNJNZZJBHKBY-JOCHJYFZSA-N 449.016 5.269 30 10 IKEE CCCCC1CCC(C(=O)[C@@H](C#N)c2nc(-c3ccc(Br)cc3)cs2)CC1 1872765105 HJIZOTJJMZIGCB-GXOAENINSA-N 445.426 6.745 30 10 IKEE N#C[C@H](C(=O)/C=C/c1cccc(Cl)c1)c1nc(-c2ccc(Br)cc2)cs1 1872765663 UMTAFZZKZKEERE-MDGVGCGJSA-N 443.753 6.116 30 10 IKEE CCOC(=O)Oc1ccc(C(=O)[C@H](C#N)c2nc(-c3cccc(Cl)c3)cs2)cc1 1872767454 SCDYDOGTJONCRS-KRWDZBQOSA-N 426.881 5.489 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(OC)c(OC)c3)n2)cc1 1872770297 PLSFHNCZIGCFLC-LJQANCHMSA-N 436.533 5.035 30 10 IKEE Cc1cc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)ccc1F 1872773328 YSWDXBNQDXEGSU-WFASDCNBSA-N 449.334 6.208 30 10 IKEE COc1c(Cl)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)/C=C/c2ccc(F)cc2)n1 1872777979 AOIYGGKXMDXCJH-IEXSPKMKSA-N 447.318 6.154 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccccc3C)n2)c(C)c1C 1872778954 YFQYVKBQJNSEIL-HXUWFJFHSA-N 434.561 5.779 30 10 IKEE C=CCOc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2c(C)c(C)cc(C)c2C)cs1 1872780217 CIABPBRDWTUCDI-FQEVSTJZSA-N 446.572 5.864 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)CCCOc3ccc(C)cc3)n2)cc1C 1872787258 FNWIUQUHYSRWKV-NRFANRHFSA-N 434.561 5.779 30 10 IKEE CCOc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2cc(Cl)ccc2OC)cs1 1872788334 HHICXTLYWAJZSU-INIZCTEOSA-N 442.924 5.126 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)s3)n2)c(OC)c1OC 1872788965 VPVOKPQBVAXEDF-NSHDSACASA-N 434.926 5.041 30 10 IKEE CCCCCCCCN=c1nc2c(cnn2-c2ccccc2)c(Nc2ccc(OC)cc2)[nH]1 1873478348 RUADCAZSIYGHSI-UHFFFAOYSA-N 444.583 5.762 30 10 IKEE C=CCn1c(C(=O)N(CCCC)CCCC)cc2c(N(C)Cc3ccccc3)ncnc21 1873562006 JFOBUFOUXSZROM-UHFFFAOYSA-N 433.600 5.296 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Br)cc2C)cc2c(NCC(C)C)ncnc21 1873602974 RJCRWQHSIZTODP-UHFFFAOYSA-N 442.361 5.008 30 10 IKEE C=C(C)CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1cccc(F)c1 1874217328 HEZAVXRPIOWCME-OPEKNORGSA-N 444.963 5.817 30 10 IKEE C=CCSc1nnc(COc2c(C)cccc2C)n1/N=C/c1cccc(OCCC)c1 1874300523 TYTPADGXHDFGDD-PCLIKHOPSA-N 436.581 5.423 30 10 IKEE C=CCSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1ccc(Cl)cc1Cl 1874328411 NDOGAJIWCRYCOY-WYMPLXKRSA-N 447.391 5.941 30 10 IKEE Cc1ccc(CSc2nnc(CCOc3ccccc3)n2/N=C/c2cccc(C)c2)cc1 1874345894 MCRMYNGDNJVKAU-OVVQPSECSA-N 442.588 5.691 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2/N=C/c2cccnc2)cc1 1874391220 YZNAGGWUROJNMG-CVKSISIWSA-N 433.968 5.400 30 10 IKEE Clc1cccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2-c2cccs2)c1 1874424703 YXFQFXOPNDRMAV-FSJBWODESA-N 445.400 6.488 30 10 IKEE O=[N+]([O-])c1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2-c2ccccc2)cc1 1874426587 PMNMZPOZPOUPBV-ZVHZXABRSA-N 433.468 5.167 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2-c2ccccc2)cc1 1874429614 RNGHJLGUGHWBTQ-MFKUBSTISA-N 434.952 5.782 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CCCC2)c(O)c1 1874455878 OLZNAMSBVZXLOV-FSJBWODESA-N 428.945 5.175 30 10 IKEE CSc1nnc(C(F)(F)F)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874458761 DNNSDPSROVLMHU-AUEPDCJTSA-N 426.851 5.133 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C(F)(F)F)cc1 1874462665 ZLMOLQUKPJIBIY-RPPGKUMJSA-N 430.430 5.764 30 10 IKEE Oc1cccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2-c2ccco2)c1 1874468252 ZLOYKAHHCJTGCM-MFKUBSTISA-N 426.501 5.571 30 10 IKEE CCCOc1ccccc1/C=N/n1c(CCOC)nnc1SCc1cc(C)ccc1C 1874472496 IGTJWZBPCUBFSM-PCLIKHOPSA-N 438.597 5.047 30 10 IKEE CC(C)Cc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc(N(C)C)cc1 1874490119 AGYNDXULCNJTHC-ZVHZXABRSA-N 428.005 5.371 30 10 IKEE Cc1cccc(CSc2nnc(C3CCC3)n2/N=C/c2c(Cl)cccc2Cl)c1 1874494361 XYHFHIUZIISZHW-WYMPLXKRSA-N 431.392 6.335 30 10 IKEE Cc1ccccc1CSc1nnc(C2CC2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874517776 KUIPJKAFKPFHJC-SSDVNMTOSA-N 427.917 5.200 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2cccc3ccccc23)c1OCc1cccc(F)c1 1874583450 NLEKMQNZPQEABX-OUKQBFOZSA-N 446.905 7.116 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccccc2OCc2cccc(Cl)c2)c1 1874585822 HAYZSVLTUFZEIW-WYMLVPIESA-N 436.935 6.613 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccccc1OCc1nc(O)c2ccccc2n1 1874586133 XVUPZFOIPDVXTH-OUKQBFOZSA-N 440.499 5.436 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2ccccc2OCc2cccc(Cl)c2)cc1Cl 1874590687 QYTORLULIAUZAN-MDZDMXLPSA-N 447.745 7.131 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCc2ccccc2)cc1C 1874591264 AURMZSYNXMGYRX-ZHACJKMWSA-N 436.935 6.449 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1OCC(=O)Nc1ccc(C)cc1 1874596742 AZZUFEDBOZIIGC-XYOKQWHBSA-N 445.515 5.234 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 1874607052 UAFZHXXEDFXUBH-KPKJPENVSA-N 447.487 5.786 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1)c1cccc(Br)c1 1874609863 ODZCAKHTFKMYMS-PKNBQFBNSA-N 438.277 5.832 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OCc1cccc(F)c1 1874626017 IFHVRDASCQFTSI-FMIVXFBMSA-N 448.534 6.616 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)cc(Cl)c1OCCCO 1874628540 IVUKRBSMXQMBSB-SNAWJCMRSA-N 445.726 5.321 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)ccc1OCc1ccccc1F 1874635844 WSTIJGGEBBUFHH-NTCAYCPXSA-N 446.562 7.305 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)ccc1OCc1ccc(C)cc1 1874635890 YNGTUTDNGJZMGC-NTCAYCPXSA-N 428.572 7.085 30 10 IKEE O=C(/C=C/c1ccc(OCCc2ccccc2)c([N+](=O)[O-])c1)c1cc(Cl)ccc1Cl 1874637481 BQGXSOKIUHBWDM-UXBLZVDNSA-N 442.298 6.419 30 10 IKEE COc1ccccc1CC(=O)Oc1cccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c1 1874693390 CNGKIQHVABHANP-DTQAZKPQSA-N 426.512 5.618 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cccc(C)c3)c2)c(OC)c1OC 1874717479 XERFKZAZJUMGIB-ACCUITESSA-N 432.472 5.136 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Br)c(O)c(Br)c2)cc1Cl 1874719437 JLFPSFNQRKFIOH-DUXPYHPUSA-N 446.522 5.475 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(F)c(C)c2)CSc2nnc(CCC)n21 1874857483 MNQURNSIYQSYMW-FQEVSTJZSA-N 432.609 5.740 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OC(=O)CCOC 1875098088 RKIMJWFNWTUQJZ-JLHYYAGUSA-N 434.532 5.141 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)ccc1OC(=O)Cc1ccc(F)cc1 1875101021 MZFNWSAYHUIDRA-UKTHLTGXSA-N 434.463 5.277 30 10 IKEE CCOc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2)cc1OC 1875132674 YGRVIGCAJHMGDP-CXUHLZMHSA-N 444.527 5.837 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)Cc1ccc(C)cc1 1875135788 HUXYHMZQHHNYEJ-SDNWHVSQSA-N 448.946 6.400 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)CC2CCCCC2)c([N+](=O)[O-])c1 1875143021 FSZRQVHTPLYCBW-PKNBQFBNSA-N 437.492 5.684 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)c(C)c3)c(OC)c2)c1 1875147478 VMXQCZDIYMAZQO-YRNVUSSQSA-N 446.499 5.445 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2)cc1[N+](=O)[O-] 1875156251 RFEMBMMJVZJGQU-VIZOYTHASA-N 429.472 6.142 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(N(C)C)cc1 1875158875 RKLBUXUYDFIIND-PJQLUOCWSA-N 433.479 5.406 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Br)c1OC(=O)c1ccco1 1875159790 LBAWEDIQGQYSOP-RUDMXATFSA-N 445.240 5.305 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccccn2)c(Cl)c1 1875160778 IZIGNCXGWVOZJR-DHZHZOJOSA-N 449.934 6.156 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2)cc1 1875175904 MXNVTORBONDPFU-MHWRWJLKSA-N 428.528 6.136 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)cc2)cc1C 1875175962 POVGGUQNQLVGDE-IXNCKXOBSA-N 442.555 6.696 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3c(F)cccc3Cl)cc2)cc1Cl 1875187525 UFJMZFPEDVPGHV-YRNVUSSQSA-N 445.273 6.256 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N1CCC(C)CC1)n2CC 1875201465 PPKBKLGJSJZSMD-UHFFFAOYSA-N 427.637 5.876 30 10 IKEE COC(=O)c1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc(N=[N+]=[N-])c1C 1887504662 GVDHLRLUIKLDQZ-UHFFFAOYSA-N 428.448 6.084 30 10 IKEE Cc1c(C#C[Si](C)(C)C)c(C)c(C(=O)OC(C)(C)C)c(C)c1B1OC(C)(C)C(C)(C)O1 1887514454 CBKJCPRPPXSCNV-UHFFFAOYSA-N 442.481 5.095 30 10 IKEE N#Cc1ccc(OC2CCN(C(=O)c3cc(Cl)c(Cl)c(Cl)c3Cl)CC2)cc1 1891435200 GHYJCFDEZJYNCN-UHFFFAOYSA-N 444.145 5.855 30 10 IKEE c1ccc(CN(Cc2ccccc2)C2(CN=C3N[C@@H](CC4CCCC4)CS3)COC2)cc1 1926728942 QFOMHUMSORSUOS-VWLOTQADSA-N 449.664 5.099 30 10 IKEE CCCCCCCC[C@H](NCCC)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1946526751 AXRAYCOPHILFBB-BJKOFHAPSA-N 434.665 6.215 30 10 IKEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(C)cc1 2032559743 AKJKGCKHBMWJGM-KBMIEXCESA-N 443.588 5.666 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CCC2 2037014686 DNUYNHRJTPHRKS-NLJOTIRTSA-N 442.644 5.697 30 10 IKEE CSc1ccc(C=CC(=O)N2C(=Nc3ccc(C)cc3)SCc3ccccc32)cc1 2040436194 HYGJKYQQDMLYKN-UHFFFAOYSA-N 430.598 6.698 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Cc1cc(Cl)c(C)c(Br)c1 2048650188 QNNHPIXOWGQJRR-MRXNPFEDSA-N 430.770 5.382 30 10 IKEE O=C(C=Cc1ccc([N+](=O)[O-])cc1)c1c(O)nc2ccc([N+](=O)[O-])cc2c1-c1ccccc1 2053573532 AVASKCHMCARMDV-UHFFFAOYSA-N 441.399 5.320 30 10 IKEE CC#CCC[C@@H](NC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071359368 VRZFWYCPUJSYOJ-LEAFIULHSA-N 429.560 5.270 30 10 IKEE CC[C@@H](c1ccc(C)cc1C)n1nc(C(C)(C)C)c(/C=N/O)c1I 2079072874 ZITKZHWVAWQVIX-XYHOIZSOSA-N 439.341 5.210 30 10 IKEE CC(C)c1ccc([C@H](C2CC2)n2nc(C3(C)CC3)c(C#N)c2I)cc1 2079953681 CFXJFKVOZNELEV-GOSISDBHSA-N 445.348 5.534 30 10 IKEE CCCc1ccc([C@H](C(C)C)n2nc(C(C)C)c(C#N)c2I)cc1 2080032594 FKSAGYAMSOOZQO-IBGZPJMESA-N 435.353 5.681 30 10 IKEE CC(C)Oc1ccc([C@H](C2CCC2)n2nc(C3CCC3)c(C=NO)c2Br)cc1 2080127342 TUPODJCLRXDAAB-NRFANRHFSA-N 446.389 5.898 30 10 IKEE Fc1ccc(C(F)(F)F)cc1-c1c(C(F)(F)F)nn(C2CCC2)c1Br 2080878292 VRNNIEHXLBWEIJ-UHFFFAOYSA-N 431.149 6.214 30 10 IKEE CCCC#CC[C@H](NCCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2083436224 HVAZXCFXXHFNSA-RPLLCQBOSA-N 442.644 5.392 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1ccc(O)cc1Cl 2096990231 RCERPWLNLXFSQG-KRWDZBQOSA-N 437.721 5.814 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)c(Br)c1)NCC 2110501336 QXWHZKMUSHHGGM-ZWKOTPCHSA-N 445.829 5.483 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(C#N)c(Br)c2)C[C@H]1C1CCC1 2194111595 LHUXPKYBWSKITI-HKUYNNGSSA-N 434.378 5.301 30 10 IKEE CC(C)(C)OC(=O)NCCCc1cccc(Nc2ccc(C#N)c(Br)c2)c1 2204095350 MPNIKXALYBHEOL-UHFFFAOYSA-N 430.346 5.522 30 10 IKEE CCCCCCCC[C@@H](C)NC[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1 2223856362 CGQJWNRTTANSSO-NOZRDPDXSA-N 445.692 5.837 30 10 IKEE O=C(C#Cc1ccccc1Br)c1ccc(Br)cc1Br 2227504507 GGDHPPOMRFDOMV-UHFFFAOYSA-N 442.932 5.209 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CN(CC1CCCCC1)C(=O)OC(C)(C)C)NCCC 2259738898 YZTLOHAZHSKWFR-RUZDIDTESA-N 444.660 5.945 30 10 IKEE CN(Cc1ccc(NC(=O)OC(C)(C)C)cc1)C(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1 2266998010 FSWYXDYLVUTQAY-UHFFFAOYSA-N 444.381 5.009 30 10 IKEE CC1(C)OB(c2ccccc2NC(=O)Nc2ccc(OCc3ccccc3)cc2)OC1(C)C 2282754479 QWGSIMJLSMSVNR-UHFFFAOYSA-N 444.340 5.209 30 10 IKEE COC(=O)c1ccc2c(c1)C(=O)C(=Cc1cn(-c3ccccc3)nc1-c1cccs1)O2 2296724104 REEPVHFGHHQHDO-UHFFFAOYSA-N 428.469 5.004 30 10 IKEE N[C@H](C#Cc1nccs1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2300728516 VGARTCOFODQEFR-HSZRJFAPSA-N 426.541 5.353 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cccc(OCc2ccccc2)c1 2314449639 RKUMRRULOYVIBD-LOSJGSFVSA-N 438.612 6.166 30 10 IKEE Cc1ccc(COc2ccccc2C=C2SC(=Nc3cccc(C)n3)N(C)C2=O)cc1 2314539786 APTBCLSWPAIGAN-UHFFFAOYSA-N 429.545 5.511 30 10 IKEE CCCCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccccc1F 2318572039 YSLZTKXHHJIZHK-UHFFFAOYSA-N 437.371 6.241 30 10 IKEE O=C1C(=CC=Cc2ccccc2)Oc2c1ccc1c2CN(CCc2ccc(Cl)cc2)CO1 2321928170 UUFJYNBHLHTWEK-UHFFFAOYSA-N 443.930 5.907 30 10 IKEE CCOc1cc(C=Nn2c(S)nnc2CC(C)(C)C)ccc1OCc1ccccc1F 2321936869 VPWLKBJFCMTZNP-UHFFFAOYSA-N 442.560 5.154 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc4c(c1)OCO4)O3)CN(C1CCCCCCC1)CO2 2322183788 RQUAUKFUCGIISD-UHFFFAOYSA-N 447.531 5.605 30 10 IKEE COc1ccc(CN2COc3c(cc4c(c3C)OC(=Cc3ccc(Cl)cc3)C4=O)C2)cc1 2322305253 GAJUAZVUXSHLNK-UHFFFAOYSA-N 447.918 5.625 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(C(C)(C)C)cc1)C3=O)CN(CCc1cnc[nH]1)CO2 2322421050 OLZBVAKRMTWYBV-UHFFFAOYSA-N 443.547 5.026 30 10 IKEE Cc1ccc(COc2ccc(Br)cc2C=CC(=O)c2ccccc2Cl)cc1 2322436534 HXAUESNYDAMGOQ-UHFFFAOYSA-N 441.752 6.886 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2cccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 2323195457 GSNOVYMDOYQAJD-UHFFFAOYSA-N 441.571 6.515 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc1OCc1cccc(F)c1 2323288943 ZSXJOBHONHKGJC-UHFFFAOYSA-N 440.898 6.280 30 10 IKEE Cc1c(OC(=O)c2ccc(C(F)(F)F)cc2)ccc2c1OC(=Cc1cccs1)C2=O 2323352222 CIGQVLSNWFRAAA-UHFFFAOYSA-N 430.403 5.911 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OC(=O)c4c(F)cccc4Cl)c3C)C2=O)cc1 2323363946 UYMDAFMFHZZSBS-UHFFFAOYSA-N 436.866 6.185 30 10 IKEE CCCCCCCCCOc1ccc(C=NS(=O)(=O)c2cccs2)cc1Cl 2323438094 PHZBYKKPKBFBOV-UHFFFAOYSA-N 428.019 6.339 30 10 IKEE C=CCOc1c(Br)cc(C=CC(=O)c2ccc(OC)c(OC)c2)cc1OCC 2323460262 OYMNPPRCZRGCDY-UHFFFAOYSA-N 447.325 5.326 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc3C2=O)cc1 2323562008 UGAZZBYWDLPWDV-UHFFFAOYSA-N 438.435 5.191 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2Cl)cc(OC)c1OCc1cc(C)ccc1C 2323626764 VJKITWYFTMPDGO-UHFFFAOYSA-N 446.974 7.169 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Cl)c1OCc1ccc(C)cc1 2323767291 ZWQBOUYUXNVDQK-UHFFFAOYSA-N 441.354 7.176 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1Cl 2323943814 UOMMGNAOLOFVDE-UHFFFAOYSA-N 447.962 6.433 30 10 IKEE C=CCOc1ccc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)cc1Br 2324325233 IGQAFWRAFCCUQF-UHFFFAOYSA-N 442.136 6.225 30 10 IKEE Cc1cccc(OCCOc2ccc3c(c2C)OC(=Cc2ccc4c(c2)OCO4)C3=O)c1 2324522905 GORKKKOCOJSTES-UHFFFAOYSA-N 430.456 5.106 30 10 IKEE CCCNC(=O)COc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1Br 2324548280 XYDZJNAUHBPWDQ-UHFFFAOYSA-N 444.369 5.175 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OCC(=O)Nc1ccc(F)cc1 2324567811 JRPKQRWLKSETMK-UHFFFAOYSA-N 447.506 5.673 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCCOc3ccc(Cl)cc3)ccc2C1=O 2324665882 RHBYSXFZEPBIPV-UHFFFAOYSA-N 436.891 5.813 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)ccc1OCc1ccc(C)cc1 2324693428 KKIGYIIMPHMIIN-UHFFFAOYSA-N 438.523 6.641 30 10 IKEE CCOc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc1OC 2324756620 VGFYZCLPMMVNAS-FQEVSTJZSA-N 432.545 5.724 30 10 IKEE CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2cccc(C)c2)C3=O)c1 2324825834 DHFZLNKLUFQLQA-SFHVURJKSA-N 441.483 5.220 30 10 IKEE Cc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1c(Cl)cccc1Cl 2325645572 OMDIMRXZRBBLQW-UHFFFAOYSA-N 429.735 5.860 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1OC(=O)Cc1ccc(F)c(C)c1 2325727235 DMEMMPMMUULHPO-UHFFFAOYSA-N 438.882 5.840 30 10 IKEE CCCCCCCCC(=O)Oc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC 2325729811 ZODIMPUNXGNHAA-UHFFFAOYSA-N 428.956 6.901 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2)cc1OC(=O)[C@H](C)Oc1ccc(Cl)cc1 2325731220 JYRSDKHAUIZDTE-KRWDZBQOSA-N 436.891 5.618 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)c(C)c1 2325736458 GBFUAMMNTJCHNA-UHFFFAOYSA-N 435.863 5.980 30 10 IKEE COc1ccccc1CCC(=O)Oc1cccc(C=CC(=O)c2cccc3ccccc23)c1 2325750065 QRLXOQUVPASZLV-UHFFFAOYSA-N 436.507 6.283 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1OC(=O)c1ccc(C(C)(C)C)cc1 2325750980 XIUJJQXHAVIFGE-UHFFFAOYSA-N 432.491 6.247 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1OC(=O)c1ccccc1F 2325772480 CJPNXNXNZRZPNR-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE CCOc1cc(C=Nn2cnnc2SCc2ccccc2)cc(Cl)c1OC(C)C 2326204450 XFUQIIVNMKMWRT-UHFFFAOYSA-N 430.961 5.292 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1N=Cc1ccc(OC)c(OCCC)c1 2326225010 VTMANHLWCHPSRD-UHFFFAOYSA-N 438.597 5.593 30 10 IKEE CCSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1cccc(Cl)c1 2326382373 IWQRXDGBUGFGDY-UHFFFAOYSA-N 428.989 5.554 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1N=Cc1cccc(C(F)(F)F)c1 2326546622 GOMOTDJYUVMGMJ-UHFFFAOYSA-N 438.906 6.077 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2Cl)n1N=Cc1ccc(OC)cc1 2327649241 HKHXDBFTVWMQLL-UHFFFAOYSA-N 428.945 5.070 30 10 IKEE CCCSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc(N(C)C)cc1 2327978487 UBKLBRKZVIVZEN-UHFFFAOYSA-N 428.005 5.167 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccc(Cl)cc3)n2N=Cc2ccncc2)c1 2328036879 BIWHERJHOMZFDN-UHFFFAOYSA-N 447.995 5.595 30 10 IKEE N#Cc1cccc(NC(=O)Oc2ccc(CNC(=O)C=Cc3ccc(Cl)cc3)cc2)c1 2329307359 QCBICSLUZPPQDN-UHFFFAOYSA-N 431.879 5.152 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3F)n2N=Cc2cccc(F)c2)cc1 2329700745 TXMGEZDTPGIEJP-UHFFFAOYSA-N 434.515 5.630 30 10 IKEE Cc1ccccc1CSc1nnc(COc2ccccc2)n1N=Cc1ccc(F)cc1 2329878984 KGBSZVUVAFCTFV-UHFFFAOYSA-N 432.524 5.479 30 10 IKEE Cc1cccc(CSc2nnc([C@@H](C)c3ccccc3)n2N=Cc2ccccc2C)c1 2330071082 DXNNQSQYKSIVRW-NRFANRHFSA-N 426.589 6.221 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2)n1N=Cc1cc(Cl)ccc1O 2330108578 WJZOSOWGRJEOPW-QGZVFWFLSA-N 448.979 5.963 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2cccc(Cl)c2)nnc1[C@H](C)c1ccccc1 2330133750 KPWZVNWTLFMWGB-LJQANCHMSA-N 447.007 6.566 30 10 IKEE Cc1cccc(CSc2nnc(CC3CCCCC3)n2N=Cc2ccccc2[N+](=O)[O-])c1 2330245645 NWWLVFZTWZKMRV-UHFFFAOYSA-N 449.580 5.792 30 10 IKEE Cc1ccc(O)c(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2C)c1 2330459022 AZNLSFBQCJZCOG-UHFFFAOYSA-N 428.561 5.366 30 10 IKEE Cc1ccsc1C=Nn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1cccs1 2330557368 JYKGSICDGIUPIE-UHFFFAOYSA-N 441.563 5.459 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1C 2330594409 JWYQWIKEBWPXJL-UHFFFAOYSA-N 432.519 7.086 30 10 IKEE COc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2cccc(F)c2)cc1OC 2330824531 IPRRXTXJKFYNRS-UHFFFAOYSA-N 442.560 5.198 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3sccc3C)c(OC)c2)cc1 2330849471 TVFTUWRKLDPLPP-UHFFFAOYSA-N 434.557 6.523 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3F)cc2[N+](=O)[O-])cc1 2331094076 QCXNDWQLZZGAAE-UHFFFAOYSA-N 437.398 5.551 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)C1CCCC1 2331106156 OCGFDGVTCWXJTH-UHFFFAOYSA-N 426.459 5.694 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)cc([N+](=O)[O-])c1OC(=O)CC(C)C 2331129601 PCBKHZSWSKPVDI-UHFFFAOYSA-N 431.872 5.495 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)c1cccc(OC)c1 2331183162 VTWWSMVDNOFIGQ-UHFFFAOYSA-N 428.484 5.548 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)c1ccccc1C 2331324354 ODRPMCTULKQYKG-UHFFFAOYSA-N 448.946 6.779 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2[N+](=O)[O-])cc1 2331706685 LJWOJKLSYMNMLC-UHFFFAOYSA-N 445.471 5.264 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)c1cccc(C)c1 2331767638 WQOKTLWWSSCMJK-UHFFFAOYSA-N 444.527 6.053 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)cc(OC)c1OC(=O)c1ccco1 2331859859 XQMQNIMIBNKJIV-UHFFFAOYSA-N 447.270 5.719 30 10 IKEE N#Cc1nc(-c2cccs2)oc1NN=Cc1ccccc1OCc1ccccc1Cl 2331938252 URDODGFBJZWMIO-UHFFFAOYSA-N 434.908 5.953 30 10 IKEE Cc1cc(C)c(NC(=S)N/N=C/c2cccn2Cc2ccc(F)cc2Cl)c(C)c1 3587563 HYHSPCDTLPWHCJ-BRJLIKDPSA-N 428.964 5.575 30 10 IKEE Cc1ccccc1CSc1nc2n(n1)[C@H](c1cccc(Cl)c1)C1=C(CCCC1=O)N2 9856536 MKRBBJFMQOFVSE-OAQYLSRUSA-N 436.968 5.554 30 10 IKEE COCCN1C(=O)/C(=C\c2ccc(OC(F)F)cc2)S/C1=N/c1ccc(Cl)cc1 12661134 LVAYEQLTNCFIGP-ZKCWLVKGSA-N 438.883 5.192 30 10 IKEE CC1=NN(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)/C1=N\Nc1cccc2ccccc12 13576804 KFZZDEQYYGIXTQ-MEFGMAGPSA-N 445.935 5.807 30 10 IKEE CC(C)Oc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(C(F)(F)F)cc2)cc1 21224361 CFLTXRGVFVGTFV-XLIONFOSSA-N 443.465 5.497 30 10 IKEE Cc1cc(-c2ccc(C(=O)/C=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)o2)ccc1Cl 33557549 XPTDZEAXBMLZNZ-YFHOEESVSA-N 433.847 6.973 30 10 IKEE O=C1/C(=C\c2cccs2)S/C(=N/c2nc(-c3ccccc3)cs2)N1c1ccccc1 39865959 UFNGQDCODMTXLU-YJECAWTJSA-N 445.594 6.680 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCCC)c2)[C@H]1c1ccc(OCC)cc1 40101468 CCGIGUIVIPCPMY-HSZRJFAPSA-N 437.536 5.253 30 10 IKEE Cc1cc(/C=N/c2cccc(Cl)c2Cl)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 59248413 FCRCQLVIOIWJMW-YSURURNPSA-N 431.275 5.548 30 10 IKEE CCCCCCCCCCCCOC[C@@H](CO)OCCCCCCCCCCCC 100034587 XZBACIYYJPQCJG-HHHXNRCGSA-N 428.742 8.222 30 10 IKEE CCOC(=O)C1=C(Nc2ccc(F)cc2)S/C(=C/c2cccc(Br)c2)C1=O 101493121 GEUCTLMLMPOZKC-LFIBNONCSA-N 448.313 5.132 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(NNc2ccccc2)c1N 101531429 PFXCHTNNLGNIBG-UHFFFAOYSA-N 440.680 7.391 30 10 IKEE CCCCCCCCCCCCCCCCn1c(CCNC(=O)CC)nc2ccccc21 102135830 HYCWDSFKZQQVAJ-UHFFFAOYSA-N 441.704 7.586 30 10 IKEE CC[C@@H]1CS/C(=N/c2ccccc2)N1C(=O)c1ccccc1OCc1ccccc1C 105070811 IIGXAWNSQXYINQ-PLFNIDSXSA-N 430.573 6.229 30 10 IKEE N#Cc1ccc(N2C(=S)C3(CCCCC3)[C@H](N3CCCC3)/C2=N/C2CCCCC2)cc1 105421993 HYJDMDBZIMBCOQ-YHMQUTQNSA-N 434.653 5.852 30 10 IKEE CCc1n[nH]c(=S)n1/N=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 139675917 MQUIVEBIESMEKC-YVNNLAQVSA-N 437.352 5.280 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)c2cc(C(C)C)ccc21 169870047 IOCFJEDXODQFHL-UHFFFAOYSA-N 434.889 7.184 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2cccc(OC)c2)cc1 169931382 WSOKHCOSDXVJJO-DEOSSOPVSA-N 445.490 5.488 30 10 IKEE COc1cc(Br)cc(/C=N\Nc2nc(-c3ccc(C)cc3)cs2)c1OC 169942305 DXKHXYDUGHLJMA-FBHDLOMBSA-N 432.343 5.344 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2cccc(C)c2)c1 169966430 HBUFCWYQEFKTRU-VWLOTQADSA-N 441.527 5.793 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCC)cc1 169976020 GLLDYNCTTXQQEF-DEOSSOPVSA-N 435.564 5.861 30 10 IKEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 170055662 QJWSLBRYVBQHEC-QHCPKHFHSA-N 447.918 5.517 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(Cl)cc2)cc1 170059811 UUOXPJPFRBWMTO-QFIPXVFZSA-N 439.939 5.650 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1C 170087627 FNAROVFTBHEOQS-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)[C@@H]2c2ccco2)cc1 170095026 HXRFYSNYSBAFRF-HSZRJFAPSA-N 447.487 5.248 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2cccc(C)c2)cc1 170142184 IFKHRQQPASFYKV-SANMLTNESA-N 433.507 6.240 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1cccc(OC(C)C)c1 170153616 FJCKGFJINBIICD-XMMPIXPASA-N 449.591 6.068 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccncc2)ccc1OC(C)C 170199391 HWFCXOJAMFUDLF-HSZRJFAPSA-N 446.478 5.099 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC)c2)[C@H]1c1ccc(OCC)cc1 170214247 UNSRNBIVZDXDEL-HSZRJFAPSA-N 437.536 5.253 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccco2)ccc1Cl 170286818 UBNUKIUFHHTIJV-LJQANCHMSA-N 444.270 5.378 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@@H]1c1ccco1 170289847 AFEUYHUOQQGPMP-HSZRJFAPSA-N 440.499 5.540 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1F)c1ccncc1 170381504 KSLXPJYNIWBIOE-LJQANCHMSA-N 443.261 5.310 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2cccc(OC(F)(F)F)c2)c1 170458418 QAOIFIBSUWTNJO-HXUWFJFHSA-N 433.426 5.409 30 10 IKEE CCc1ccccc1N=C1S/C(=C/c2ccc(C)cc2)C(=O)N1c1ccccc1CC 252632834 VXHMWLUKQHOKRS-OFGWUVNBSA-N 426.585 6.928 30 10 IKEE Cc1ccccc1N=C1S/C(=C2\Sc3ccccc3N2C)C(=O)N1c1ccc(F)cc1 254506711 ZUGRIJCPIJANTG-APPJTMTASA-N 447.560 6.313 30 10 IKEE Cc1c(C(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)c(O)n([C@H](C)c2ccccc2)c(=O)c1C#N 256020377 QKIDBTHTVNGGPZ-NRXGSXMXSA-N 445.346 5.117 30 10 IKEE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccccc2C#N)[C@H]1c1sccc1C 526608857 ORXOVWMNPFLEKW-OAQYLSRUSA-N 446.528 5.393 30 10 IKEE Cc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccc(C(F)(F)F)c2)cc1 526609538 VNRSLDXRNMNEBA-JOCHJYFZSA-N 434.417 5.943 30 10 IKEE CCc1nnc(SCc2ccccc2)n1/N=C\c1ccc(OC(=O)c2cccs2)cc1 526798821 AVETYODYEJCZCD-IWIPYMOSSA-N 448.573 5.296 30 10 IKEE COc1ccc(Br)cc1/C=N\n1c(C)nnc1SCc1cc(C)cc(C)c1 526809225 AVJBWUJTMRXGKB-JJFYIABZSA-N 445.386 5.149 30 10 IKEE CCc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2ccc(OCC(C)C)cc2)cc1 586242687 OOXYZKWRZZGDRL-UHFFFAOYSA-N 448.588 5.551 30 10 IKEE C[C@H](Nc1ccc(Br)c(C#N)c1)c1ccc(I)cc1 690221950 VLLFBGNVSPGAKS-JTQLQIEISA-N 427.083 5.098 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H]1C(C)(C)[C@@]2(C#N)Nc1ccc(Br)cc1 693738089 LAFPUOCYQXQDOV-LZJOCLMNSA-N 434.378 5.179 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCCC12CCCCC2 698455046 BLABXBJDPRQTMT-QFIPXVFZSA-N 433.390 6.587 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 698883996 IUCFHODTSCLIPT-QMHKHESXSA-N 433.524 5.106 30 10 IKEE CCN1C(=O)C[C@H](C(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)c(Cl)c1 1084029365 YHXMJWPTPQRDFT-MRXNPFEDSA-N 440.327 5.113 30 10 IKEE CCN(CC)c1ccc(C=Nc2ccc3nc(SCc4ccccc4)sc3c2)cc1 1084437721 ZPBNNQBKHMYXGY-UHFFFAOYSA-N 431.630 7.185 30 10 IKEE Fc1ccc(-c2nn(-c3cccc(Cl)c3)cc2/C=N\NC(=S)Nc2ccccc2)cc1 1857811331 PCZPSPHNUYIWLH-WGARJPEWSA-N 449.942 5.652 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCSC)NC(=O)c1ccc(-c2ccccc2)cc1 1861480739 SDDULZSYQRPWEK-DEOSSOPVSA-N 440.653 5.682 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(F)cc1F 1862380411 BRQPBNJGRWSMGJ-QGZVFWFLSA-N 426.246 5.258 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccccc1F)c1ccc(Cl)cc1Cl 1862383912 YRGXHZCHZCWTQK-IBGZPJMESA-N 434.294 5.653 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2C)cc1 1862389304 CPVWXBDHXCKHLS-RUZDIDTESA-N 431.576 6.249 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@@H]2c2ccc(F)cc2)c1 1862430701 PRBFMASNHOFTSJ-QHCPKHFHSA-N 449.909 5.874 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccc(O)cc2)cc1 1862444007 VUCDAYZWHQNVSD-QFIPXVFZSA-N 433.891 5.133 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc2ccccc12 1862450113 ZYUFTKIWQNALBG-QHCPKHFHSA-N 449.934 5.498 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2C2CCCCC2)cc1 1862458395 MQDRGYWFZWSFIY-QFIPXVFZSA-N 443.465 5.577 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2C(C)C)cc1 1862469558 QKRXALIONNPWKL-FQEVSTJZSA-N 442.353 5.559 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccc(O)c(O)c2)c1 1862489232 SKZCZOVVSRQPAH-BXKMTCNYSA-N 443.499 5.054 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc([N+](=O)[O-])c2)c1 1862492505 SZOUQYWQPINCRG-QFIPXVFZSA-N 434.492 5.123 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862502185 SXQGVFXSDIIWMA-VWLOTQADSA-N 443.518 5.783 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2ccc(Br)cc2)cc1 1862540770 VQNADBMGCHEDKK-JLTOFOAXSA-N 442.353 5.388 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(N(C)C)cc1 1862546145 QTSCCCVZHNHEMF-MZNJEOGPSA-N 432.564 5.008 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCCc2ccccc2)[C@H]1c1cccc(F)c1)c1cccc(O)c1 1862590488 JVRWPOIOIWSKCI-DEOSSOPVSA-N 445.490 5.133 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc(C)cc2)cc1F 1862636806 OSVWVNOAWRZCGD-AYPBNUJASA-N 437.511 5.300 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(C(C)C)cc2)=C(O)C(=O)N1[C@@H](C)c1ccccc1 1862659622 BIIOOSFOXXWRLH-FNZWTVRRSA-N 439.555 6.458 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C(C)C)cc3)[C@@H]2c2cccc(F)c2)c1 1862661805 CWWSMUHJFFGBNU-VWLOTQADSA-N 443.518 6.036 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccc(Cl)c1 1862662249 WIKWFLLZGYDKLC-QFIPXVFZSA-N 425.956 6.232 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccccc2Cl)cc1 1862662293 WYNNVNHPGZEETP-AVRDEDQJSA-N 439.939 5.221 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc([N+](=O)[O-])c1 1862717356 BEBWQLDMXJKXSG-JOCHJYFZSA-N 430.460 5.126 30 10 IKEE N#Cc1cccc(N2C(=O)C(Nc3ccc4ccccc4c3)=C(c3ccc(F)cc3)C2=O)c1 1862768705 BFCLEZJXMMUYAU-UHFFFAOYSA-N 433.442 5.247 30 10 IKEE N#Cc1cccc(N2C(=O)C(Nc3cccc4ccccc34)=C(c3ccc(Cl)cc3)C2=O)c1 1862798510 MNYIGPGGUDMMOU-UHFFFAOYSA-N 449.897 5.761 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1cc(C(C)=O)ccc1Cl 1866029849 LFDOZYIWOUWKGV-UHFFFAOYSA-N 436.080 8.743 30 10 IKEE C=CCn1cc(OCC(=O)Nc2c(CC)cccc2CC)c(=O)cc1CSC(C)(C)C 1870201606 JYXYJRVDJCRNKL-UHFFFAOYSA-N 442.625 5.208 30 10 IKEE CCOCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSCc1ccccc1 1870233493 RVOLOKPPIYUUTM-UHFFFAOYSA-N 448.588 5.159 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCCCCC)c(=O)cc1CSCC 1870254338 BAPSIAXCBVVAGQ-UHFFFAOYSA-N 425.635 5.574 30 10 IKEE C=CCn1cc(OCc2ccccc2)c(=O)cc1CN1CCC(Cc2ccccc2)CC1 1870466153 CFDIRYVONLSASD-UHFFFAOYSA-N 428.576 5.068 30 10 IKEE C=CCOc1cn(CCc2ccc(F)cc2)c(CNc2cccc(C(F)(F)F)c2)cc1=O 1870809476 FCZGIRUITMTIAH-UHFFFAOYSA-N 446.444 5.426 30 10 IKEE CCCCCCCOc1cn(CC(C)C)c(CNc2cc(Cl)cc(Cl)c2)cc1=O 1870832096 PSHXEOHCKYCNHX-UHFFFAOYSA-N 439.427 6.772 30 10 IKEE C=CCn1cc(OCCCCCC)c(=O)cc1CNc1ccc(OCC)c(OCC)c1 1871124246 PRNYSMGPSUPATL-UHFFFAOYSA-N 428.573 5.403 30 10 IKEE CCCCCCCCn1cc(OCCCCC)c(=O)cc1CNc1ccc2c(c1)OCO2 1871130225 JBCVUQUXHCTGJF-UHFFFAOYSA-N 442.600 6.119 30 10 IKEE Cc1ccc(CCn2cc(OCc3ccc(C#N)cc3)c(=O)cc2CNc2ccccc2)cc1 1871250525 IVWBKPHLQHNILF-UHFFFAOYSA-N 449.554 5.462 30 10 IKEE CCCCCCCCCCN=c1nc2c(cnn2C)c(Nc2cccc3c(O)cccc23)[nH]1 1871299131 UKIJRUGDQZVVNN-UHFFFAOYSA-N 446.599 5.940 30 10 IKEE CC(C)(C)c1ccc(/C=C2\Oc3cc(OC(=O)CCOc4ccccc4)ccc3C2=O)cc1 1871384493 VCQRLUXRBYALQP-UQQQWYQISA-N 442.511 5.975 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(=O)c(Oc4ccccc4OC)coc3c2)c1 1871388890 NVMYWZAIQJMOSJ-UHFFFAOYSA-N 444.439 5.378 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(F)c2)C3=O)c1 1871389193 YPFWVBGNPVAYND-UCQKPKSFSA-N 430.431 5.534 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\C=C\c2ccccc2)C3=O)c1 1871389677 JRQWTAYPOAGGGS-UDJOLXTBSA-N 438.479 5.951 30 10 IKEE Cc1cccc(/C=C2\Oc3c(CN(Cc4ccccc4)C(C)C)c(O)cc(C)c3C2=O)c1 1871395368 PMILUWCGYUKZAI-MYYYXRDXSA-N 427.544 6.036 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OCc4cc(C)c(C)cc4C)c3C)C2=O)c(OC)c1 1871417291 GRDSLOAVLMBSBB-ZMFRSBBQSA-N 444.527 6.133 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(O[C@H](C)C(=O)Nc3c(C)cccc3C)cc(C)c2C1=O 1871431361 RGAKFVWOFDVKMR-DEYGKZMTSA-N 441.527 5.942 30 10 IKEE CCc1cccc(CC)c1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccco1)C2=O 1871455276 JQJZJZVESQIOPF-HMAPJEAMSA-N 431.488 5.347 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc(OCC(=O)Nc3cccc(Cl)c3)c2C)C1=O 1871455648 RMWBVOZBFSYAGH-ODLFYWEKSA-N 439.920 5.652 30 10 IKEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1cc(C)ccc1C 1871816183 FCEBKLKPGWFUAK-OAQYLSRUSA-N 442.625 5.240 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(CCCC)cc1)c1ccccc1)S(=O)(=O)CCCC 1871832837 FPPHOGBGQVRGCZ-XMMPIXPASA-N 442.625 5.327 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(Cl)cc1)[C@@H](C)CC)S(=O)(=O)c1cccs1 1871893211 SNUQSZWIXCDEJL-KXBFYZLASA-N 441.018 5.022 30 10 IKEE CC(=O)Oc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c1 1872759269 JAYJTVKQHBTOGI-HSZRJFAPSA-N 438.508 5.892 30 10 IKEE N#C[C@@H](C(=O)CCc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872762314 JFBTZWBYSRJAIA-INIZCTEOSA-N 435.763 6.579 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)n2)cc1 1872765938 ZWNLSVCDWNYJQZ-PBAKHKOTSA-N 431.517 5.951 30 10 IKEE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)[C@@H](C#N)c1nc(-c2ccc(F)cc2)cs1 1872776758 WUTXCDXXNDBGEP-IAQYHMDHSA-N 435.307 5.900 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@H](C#N)C(=O)/C=C\c2ccc3c(c2)OCCO3)n1 1872780307 FIUUUTBBFFDJJE-GJEJWFRCSA-N 446.528 5.096 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)COc3cccc(C)c3C)n2)c2ccccc12 1872789041 WYQVIRGVHLWQED-OAQYLSRUSA-N 442.540 5.844 30 10 IKEE CCCCCCCCCCNC(=O)c1cccc(COc2ccc(Cl)cc2Cl)c1 1872830863 ODXLQKXZOJWZJH-UHFFFAOYSA-N 436.423 7.443 30 10 IKEE CCCCCCCCNC(=O)c1ccc(CSc2ccc(Br)cc2)cc1 1872895936 UIRRUIZKRHKAEN-UHFFFAOYSA-N 434.443 6.832 30 10 IKEE CSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1c[nH]c2ccccc12 1874213638 XUBPAKQJRMHIJX-ZVHZXABRSA-N 425.945 5.029 30 10 IKEE CCCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc(Cl)cc1 1874233994 MLJDGOZQJZYTCL-YZSQISJMSA-N 434.996 6.254 30 10 IKEE CSc1nnc(COc2ccccc2Cl)n1/N=C/c1c(Cl)cccc1Cl 1874265536 CDYGRGHNXGTMOP-ZVBGSRNCSA-N 427.744 5.421 30 10 IKEE COc1ccccc1CCc1nnc(SCc2ccccc2)n1/N=C/c1sccc1C 1874314264 KTDWQKJKSDGCRP-PCLIKHOPSA-N 448.617 5.616 30 10 IKEE Cc1ccc(/C=N/n2c(Cc3ccc(C)cc3)nnc2SCc2ccccc2C)cc1 1874387274 DOLKQDUFUFCBAY-WPWMEQJKSA-N 426.589 5.969 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3cccs3)n2/N=C/c2sccc2C)c1 1874412829 YBMRWUKXEVUQQW-YDZHTSKRSA-N 438.647 6.092 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2nc(O)c3ccccc3n2)nnc1C1CCCC1 1874456287 KDZZGZDQAHKCMW-AFUMVMLFSA-N 444.564 5.067 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)N[C@@H](C)c2ccccc2)cc1 1874573590 VVKKIYYKLGJMEP-PANRORFQSA-N 441.571 6.182 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c1OCc1ccccc1F 1874575555 TVWBITPMTKUVOD-DHZHZOJOSA-N 441.842 5.871 30 10 IKEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(F)cc1F)NC1CCCCC1 1874576489 PIKNEOGYDQTFOA-UXBLZVDNSA-N 433.882 5.342 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccccc1OC 1874577071 UZKPCMCPQIGMLV-ZRDIBKRKSA-N 429.944 5.272 30 10 IKEE CCCOC(=O)COc1c(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Cl)cc1OC 1874589855 GMGZEWGDXLCZNP-BQYQJAHWSA-N 430.928 5.502 30 10 IKEE O=C(COc1cccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1)NCc1ccco1 1874593608 SCBUOUKPTNOXHP-RMKNXTFCSA-N 430.287 5.178 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 1874616676 NOYJCTFJAQSBIG-WLRTZDKTSA-N 441.354 7.257 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)cc1 1874616764 RBTDDDHUJPCVQW-LZYBPNLTSA-N 443.543 6.006 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc(Br)c1OC 1874634252 SFQKBQUXDMVIAE-AATRIKPKSA-N 425.706 5.333 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2c(F)cccc2Cl)c1)c1ccc(Cl)cc1Cl 1874695487 DVWRLTRNPOMPKQ-JXMROGBWSA-N 449.692 6.901 30 10 IKEE O=C(Oc1cccc(/C=C/C(=O)c2ccc(F)cc2F)c1)c1cccc(Br)c1 1874699645 GEKWILPBKVICFL-JXMROGBWSA-N 443.243 5.843 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OC(=O)C12CC3CC(CC(C3)C1)C2 1874702972 STMQPYYHKFFFRD-WEVVVXLNSA-N 430.544 6.022 30 10 IKEE COc1ccccc1CC(=O)Oc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC 1874703517 TZYYMSMKMPGNPP-ACCUITESSA-N 430.500 5.365 30 10 IKEE CCCc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(F)c(F)c3)c2)cc1 1874711026 PLMFMMGGHQEDKE-NTEUORMPSA-N 436.454 5.798 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)CCc3ccccc3)c2)cc1C 1874717537 ASQRSMHHRKWDII-JLHYYAGUSA-N 444.527 5.755 30 10 IKEE CCCCCCCCC(=O)NCc1nn2c(COc3ccc(CCC)cc3)nnc2s1 1874770438 XSVCRGCBMAPVFM-UHFFFAOYSA-N 443.617 5.084 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(OC)c1OC(=O)c1ccco1 1875096675 ZERVKXPMCPKEON-FMIVXFBMSA-N 428.440 5.565 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccncc2)c(Cl)c1)c1ccc(Br)cc1 1875109729 BXVWSPCMJINWIL-LREOWRDNSA-N 442.696 5.613 30 10 IKEE O=C(Cc1cccs1)Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1[N+](=O)[O-] 1875113749 WEERSQHRRTWBKI-VQHVLOKHSA-N 427.865 5.354 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCSC)c(Br)c2)cc1 1875113898 DNTHBFRUBRMVEP-VZUCSPMQSA-N 449.366 5.402 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)Cc1ccc(F)cc1 1875116100 LBJGWQQKBTXTHC-WLRTZDKTSA-N 449.434 5.177 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)[C@H]1CCCO1 1875125495 LONXEXUMHVRTMN-JYNAJPCDSA-N 426.896 5.058 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H]3CCCO3)c(Br)c2)c(C)c1 1875131894 TWOIZBOCEGXQMP-JLXBBBJOSA-N 429.310 5.046 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1cncc(C)c1 1875136403 NCAZYIJYACKGNA-FMIVXFBMSA-N 427.500 5.551 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3C)c([N+](=O)[O-])c2)c1 1875139659 UFZWGVYVCYXJOF-JLHYYAGUSA-N 443.499 5.954 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc([N+](=O)[O-])c1OC(=O)C1CCCC1 1875142278 SYELEOSEALVACT-DHZHZOJOSA-N 441.455 5.433 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2)cc1 1875157622 GJWOPBYVRKZMIC-GIJQJNRQSA-N 432.491 6.049 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)c1ccccc1OC 1875166224 BMZUCKLKZLCQOE-JLHYYAGUSA-N 446.499 5.445 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N1CCc3ccccc3C1)n2C 1875197828 VFVLIHVTYVWEBO-UHFFFAOYSA-N 447.627 5.719 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N(C)Cc1ccccc1)n2CC 1875201503 RGCRGATXXXXJPE-UHFFFAOYSA-N 449.643 6.276 30 10 IKEE C#CCCC[C@@H](NCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875649696 JTFUTVSZXHABOK-UHSQPCAPSA-N 443.587 5.660 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)CCc3ccc4c(c3)CCCC4)ccc21 1890628417 SGNWOUBVAXULHG-UHFFFAOYSA-N 432.564 5.074 30 10 IKEE N#Cc1ccc(S(=O)(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 1892421447 KBBLGKWRQUHPGW-UHFFFAOYSA-N 433.316 5.245 30 10 IKEE C#CCN(C(=O)[C@@H](CC)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCC1 1901532118 RSOMBNBNTVGPSO-AREMUKBSSA-N 444.575 5.098 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C1CC2(CCCN2C(=O)OC(C)(C)C)C1 1922059922 LKEOFMABVGXFBR-SBRHDKPSSA-N 428.617 5.307 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@](C)(O)c1ccc(OCc2ccccc2)cc1 1922100238 RIOMUEIXFNEPOI-IZLXSDGUSA-N 431.576 5.224 30 10 IKEE CCC1(NC(=O)OC(C)(C)C)CC(C#N)(N(C(=O)OC(C)(C)C)c2ccccc2C)C1 1947415672 RKAXTMCSLIEJIQ-UHFFFAOYSA-N 429.561 5.466 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)[C@H]1C(C)(C)C 2014554839 CLOWMXSDLVZGKS-HOYKHHGWSA-N 435.609 5.484 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@@H](C2CCC2)C1 2018428435 JOQAUZRCROFQEB-DVECYGJZSA-N 435.609 5.341 30 10 IKEE C#CCCCC[C@H](NCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071264837 LIRUZZGPOIZERN-MHZLTWQESA-N 427.588 6.689 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C12CCCCC2 2072196462 FIXCRIXQZWVQPI-RUZDIDTESA-N 447.620 5.772 30 10 IKEE CC(C)(C)[C@H](c1ccc(C(F)(F)F)cc1)n1nc(C2CC2)c(C#N)c1Br 2079862689 PGJUPACJNDRMFA-INIZCTEOSA-N 426.280 6.049 30 10 IKEE Cc1nn([C@H](c2ccc(C3CCC3)cc2)C(C)(C)C)c(I)c1C#N 2079904431 NWAZREVKIHPBQF-GOSISDBHSA-N 433.337 5.571 30 10 IKEE CC[C@@H](c1ccc(C(C)C)cc1)n1nc(C2(C)CC2)c(C#N)c1I 2079951877 ZMLOFHKZMUOLPD-KRWDZBQOSA-N 433.337 5.534 30 10 IKEE CC[C@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)F)c(C#N)c1Br 2079986146 NAJBPBSTEIQJLG-LLVKDONJSA-N 426.158 5.612 30 10 IKEE CC(C)c1c(C(F)(F)F)nn2c(Cl)cc(-c3nc(C(F)(F)F)ccc3F)nc12 2081369177 AWANQCQDTVKFDS-UHFFFAOYSA-N 426.723 5.745 30 10 IKEE O[C@@H](CNc1cc(Cl)c(C(F)F)cn1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2087926109 DXFWFTFBSWHRCK-LBPRGKRZSA-N 434.714 5.856 30 10 IKEE CC(C)N[C@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)c1ccccc1 2095877566 NDZPUWKUTWTMPS-GDLZYMKVSA-N 440.635 5.038 30 10 IKEE C=CCC1([C@@H](O)Cc2cc(Cl)c(C)c(Br)c2)CN(C(=O)OC(C)(C)C)C1 2111096018 AQIBPNFXMKSNPC-KRWDZBQOSA-N 444.797 5.128 30 10 IKEE CCCCCC#CC[C@H](NC)c1ccc(I)c(Br)c1 2138995313 XWMNNNKWRZRABM-INIZCTEOSA-N 434.159 5.288 30 10 IKEE C=CC1(C[C@H](NCC)c2ccc(Br)cc2I)CCC1 2142285535 QOHMELDZIDKEIL-HNNXBMFYSA-N 434.159 5.451 30 10 IKEE CN(C(=O)OC(C)(C)C)c1ccc(CNc2cc(Br)c(C#N)cc2F)cc1 2175700749 GTJUMFYKNUOHGT-UHFFFAOYSA-N 434.309 5.443 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](CNc2cc(Br)ccc2C#N)[C@H]2CCCC[C@@H]21 2179389816 JBJVWKOQXBOTNW-WDYCEAGBSA-N 434.378 5.158 30 10 IKEE CCCCCCCCCC[S@](=O)C(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2195281413 BGCJDJAGLPHJMA-WRGVRERRSA-N 439.618 5.034 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccc(Br)cc2C#N)C(F)(F)CC1 2197022931 DZECQBPLSAUNMP-MRXNPFEDSA-N 444.320 5.158 30 10 IKEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)cc1Cl 2222751092 IDIQKOXVGLYXOS-DLBZAZTESA-N 429.786 5.060 30 10 IKEE C=CC[C@@H](C)[C@@H](NCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229108478 XCCZSTOMNVSQPN-ATZDWAIDSA-N 425.411 5.075 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Cl)cc1)CCCCCNC(=O)OCc1ccccc1 2239567876 HQWBSBQGOREJTG-XMMPIXPASA-N 426.988 5.547 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1sc(Br)c(C)c1C 2254700437 ZHUQCFRVXOGRTC-GJZGRUSLSA-N 431.440 5.638 30 10 IKEE C#C[C@@H](C)[C@H](OCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2261772703 MSFYGSAPAFZMEB-HRFSGMKKSA-N 430.500 5.256 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCCN)c1ccc(Br)c(Cl)c1F 2263012424 HXOVCSQAARRVOE-IBGZPJMESA-N 428.729 5.031 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C=CC(=O)C#Cc2cccc(Br)c2)cc1 2296217076 QKALZBKHYGITOP-UHFFFAOYSA-N 426.310 5.430 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3ccccc3c2O)cc1COc1ccccc1F 2297316087 IHLSDFZTIWZIRW-UHFFFAOYSA-N 428.459 6.168 30 10 IKEE Cc1ccccc1NC=C1C(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S1(=O)=O 2297375442 HYSPFRWGUZDIHS-UHFFFAOYSA-N 438.936 5.135 30 10 IKEE O=C1C(=O)N(c2ccccn2)[C@H](c2cccc(Oc3ccccc3)c2)C1=C(O)c1ccccc1 2297740268 QBAIHOWWWJMBPH-RUZDIDTESA-N 448.478 5.500 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2313030555 KBGQXZSQAGWLRP-PSRXAIMNSA-N 447.620 5.532 30 10 IKEE COc1cc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3)cc2)cc(OC)c1OC 2314429652 LMQATKHEJLNIQV-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(OCc2ccccc2)cc1 2314443768 IDDMJFKUZHSWNC-LOSJGSFVSA-N 438.612 6.166 30 10 IKEE O=C1C(=Cc2ccccc2)SC(=Nc2nc(-c3ccccc3)cs2)N1C1CCCCC1 2314544194 WAZSLQVQMTZCKS-UHFFFAOYSA-N 445.613 6.747 30 10 IKEE O=C(O)c1cccc(N=C2SC(=CC=Cc3ccccc3)C(=O)N2c2ccccc2)c1 2314547234 FCXMELUTHQPTBA-UHFFFAOYSA-N 426.497 5.750 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(C3CC3)n2N=Cc2cccc3ccccc23)o1 2320849896 BCWHWUKYOXKHSG-UHFFFAOYSA-N 446.532 5.253 30 10 IKEE CCc1ccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CC2)cc1 2320909271 YSDAFNXVSNVJFE-UHFFFAOYSA-N 431.392 6.199 30 10 IKEE Cn1cc(C=C2Oc3c(ccc4c3CN(Cc3ccc(F)cc3)CO4)C2=O)c2ccccc21 2322052122 NGOBRDHKNBNBCI-UHFFFAOYSA-N 440.474 5.286 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccccc1Cl)O3)CN(CCCc1ccccc1)CO2 2322214521 RMXMMFBYIGNRKJ-UHFFFAOYSA-N 445.946 6.049 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(Cl)cc2C=CC(=O)c2ccc(C)c(C)c2)c1 2322899799 VKDPXAGBTPGIFO-UHFFFAOYSA-N 433.935 6.179 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OC(=O)C=Cc4ccc(C)cc4)cc(C)c3C2=O)cc1 2323065005 NUAKCUNXTGSGBX-UHFFFAOYSA-N 440.495 5.937 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)C=Cc1ccc(Cl)c(Cl)c1 2323627227 ZDMPYAYYBVPNRF-OAQYLSRUSA-N 441.443 6.158 30 10 IKEE CC(C)C(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2)C3=O)c1 2323909114 QNDQMDGOPPQLST-UHFFFAOYSA-N 428.440 5.083 30 10 IKEE COc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 2324416700 XPXPXYHURJYTOT-SFHVURJKSA-N 439.334 5.471 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OCc1ccccc1C 2324561380 WNSIANWIWPAVCS-UHFFFAOYSA-N 448.990 7.447 30 10 IKEE C=CCc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OCC(=O)NCCC 2324563991 MCQORPUYOMPNLP-UHFFFAOYSA-N 435.564 5.150 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OCC(=O)Nc2cccc(C)c2C)cc1 2324693851 LWLXFQDFFVDOPV-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE Cc1cc(OCc2ccc(C#N)cc2)cc2c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O2 2324760692 YSXNYTCMQHOEJI-UHFFFAOYSA-N 436.294 6.369 30 10 IKEE CCOc1c(C=Nn2cnnc2SCc2ccc(Cl)c(Cl)c2)cccc1OC 2325668808 WFEMUDITJJOQHX-UHFFFAOYSA-N 437.352 5.167 30 10 IKEE Cc1c(OCC(=O)Nc2ccccc2C(F)(F)F)ccc2c1OC(=Cc1ccco1)C2=O 2325706136 HPUVXPRKYVNBLR-UHFFFAOYSA-N 443.377 5.241 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccccn3)c2)cc1OCCC 2325727040 DZFGGLJYNVAHND-UHFFFAOYSA-N 445.515 5.775 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)C3CCCC3)c2)cc1OCCC 2325727147 MHVZADNYQOMOEA-UHFFFAOYSA-N 436.548 6.256 30 10 IKEE COc1ccc(CC(=O)Oc2cc(C=CC(=O)c3cccc(Cl)c3)ccc2OC)cc1 2325727275 YHPHELQUAFCJQX-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCC(=O)Nc4c(C)cc(C)cc4C)cc(C)c3C2=O)c1 2325736933 MFBQLGRAQRYSFE-UHFFFAOYSA-N 441.527 5.862 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OC(=O)COc1cccc(C)c1C 2325741299 VXKRZDOHYHBIQZ-UHFFFAOYSA-N 448.490 5.640 30 10 IKEE Cn1c(C(=O)Oc2cccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)c2)cc2ccccc21 2325746596 JYQWBAYYHBYVKU-UHFFFAOYSA-N 437.539 6.591 30 10 IKEE COc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3cc(C)cc(C)c3OC)c2)cc1 2325757763 NUHVACGTWXDVMD-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cncc(C)c3)c2)c(OCC)c1 2325762972 ZYQIILAFIXAPGS-UHFFFAOYSA-N 431.488 5.303 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(OCC)c(OC)c2)n1N=Cc1cccs1 2325902030 RNVZIYARHRFOSG-UHFFFAOYSA-N 442.610 5.083 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1N=Cc1cc(Cl)c(OC)c(OC)c1 2326223024 RNBGWCYNVRZZHL-UHFFFAOYSA-N 444.988 5.466 30 10 IKEE CCOc1ccc(C=Nn2c(CC)nnc2SCc2ccc(C)cc2C)cc1Cl 2326442425 PYVGMDIWXOLXIS-UHFFFAOYSA-N 428.989 5.684 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1cccc(OC(C)C)c1 2326492931 PVLDKLSCTUFNHI-UHFFFAOYSA-N 449.407 6.109 30 10 IKEE C=CCSc1nnc(COc2ccc(OC)cc2)n1N=Cc1ccc(Cl)cc1Cl 2328403515 RYJPECLCDRCBLM-UHFFFAOYSA-N 449.363 5.333 30 10 IKEE COc1ccc(CCc2nnc(SCc3ccccc3)n2N=Cc2ccc(C)cc2)cc1 2328577048 AFRSAZLMDBUCTB-UHFFFAOYSA-N 442.588 5.555 30 10 IKEE COc1ccccc1CCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccccc1 2328677713 UOCNOBSEKYKZRK-UHFFFAOYSA-N 442.588 5.555 30 10 IKEE C=CCSc1nnc(COc2ccc(C)cc2C)n1N=Cc1cccc(OCCC)c1 2328919023 MNQWIWIPNQSEAZ-UHFFFAOYSA-N 436.581 5.423 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1ccccc1Cl 2328945745 HALMQCBGZWULAQ-UHFFFAOYSA-N 425.001 5.884 30 10 IKEE C=CCOc1ccccc1C=Nn1c(Cc2ccc(Cl)cc2)nnc1SCC(=C)C 2329097503 OTWNKUSVLDVQRH-UHFFFAOYSA-N 438.984 5.638 30 10 IKEE Cc1cccc(CSc2nnc(COCc3ccccc3)n2N=Cc2sccc2C)c1 2329317259 PFBLATBOQKLETQ-UHFFFAOYSA-N 448.617 5.848 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1cccc2ccccc12 2329421951 WOAYCONRSDWOHG-UHFFFAOYSA-N 426.589 6.189 30 10 IKEE CCCNC(=O)CSc1nnc(CC2CCCCC2)n1N=Cc1cccc2ccccc12 2330252185 MHIHOVIZDVOQSD-UHFFFAOYSA-N 449.624 5.055 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(Cl)c1OC(=O)c1ccco1 2330667156 WYMAUAAUXUFLEV-UHFFFAOYSA-N 446.886 6.600 30 10 IKEE COCCC(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1Br 2330684710 LIWFAJWNUGJPKJ-UHFFFAOYSA-N 443.337 5.166 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccccc3Cl)cc2Cl)cc1C 2330913263 BDWXQNGTKHMCKV-UHFFFAOYSA-N 439.338 6.654 30 10 IKEE O=[N+]([O-])c1cccc(C=Nn2c(SCc3cccc(F)c3)nnc2C2CCCC2)c1 2331049428 ASAQJQBPDWOZTN-UHFFFAOYSA-N 425.489 5.158 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cccc(Cl)c3)cc2Cl)cc1 2331123168 LUAFGDQLRJADSY-UHFFFAOYSA-N 425.311 6.671 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1Cl 2331183776 KOXHNXLSEZDVMW-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccs3)c(Cl)c2)cc1 2331304162 NVCVXCSURQGPQN-UHFFFAOYSA-N 426.921 6.306 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc4cc(Cl)ccc4n3)cc2)c1 2331318355 BSUPBVBRYQTSLI-UHFFFAOYSA-N 441.914 6.620 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cc(Cl)c(OC(=O)C3CCCC3)c(OC)c2)c1 2331377596 QDNMHGUWVICKET-UHFFFAOYSA-N 444.911 5.358 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)COC)c(OC)c2)cc1 2331545828 LKLUBLZVXDONMJ-UHFFFAOYSA-N 440.536 5.492 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(C)C)n2N=Cc2c(Cl)cccc2Cl)c1 2331701558 QJKJWNNXPDORDK-UHFFFAOYSA-N 433.408 6.500 30 10 IKEE COCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1OC 2331857409 VBMWYNYAWMMBIA-UHFFFAOYSA-N 443.710 5.493 30 10 IKEE CC1(C)CC=C(B2OC(C)(C)C(C)(C)O2)CN1Cc1cc(Cl)ccc1Br 2362667274 DVAIUKNGNVFOGJ-UHFFFAOYSA-N 440.618 5.645 30 10 IKEE N#CCN(Cc1ccc(I)c(Br)c1)C1CCCCCC1 2377400236 BWUBTRZWURFJLB-UHFFFAOYSA-N 447.158 5.102 30 10 IKEE COc1ccc([C@@H]2C3=C(C[C@H](c4cccs4)CC3=O)Nc3nc4ccccc4n32)cc1 17095487 DGRSBUVZBMAPHZ-UPCLLVRISA-N 427.529 5.522 30 10 IKEE CCc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2c(F)cccc2Cl)cc1 20882033 VNOVQJKJMGUNPU-CLYVBNDRSA-N 446.953 7.021 30 10 IKEE COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(OC)c2)c1 21251421 IYXCVQFXBBZXLW-UZTOHYMASA-N 426.516 5.683 30 10 IKEE O=C1/C(=C/c2cccc(Cl)c2Cl)Oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc21 33514063 TVCJFMJOFVGKSA-JMIUGGIZSA-N 442.254 6.097 30 10 IKEE COc1ccc(/C=C\C(=O)C23CC4CC(CC(C4)C2)C3)cc1Cn1nnc2ccccc21 33923429 YWJOOPKBMUFJHI-CLFYSBASSA-N 427.548 5.287 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OC(=O)c4ccccc4Br)ccc3C2=O)c1 35550299 FXOUWRGYSAHCRS-MTJSOVHGSA-N 435.273 5.593 30 10 IKEE C=CCN(Cc1csc(COc2cc(C)cc(C)c2C)n1)C(=O)c1cccc(OC)c1 36106167 OVTHGYGXEADIKD-UHFFFAOYSA-N 436.577 5.484 30 10 IKEE C=CCC[C@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F 36346064 DCPDGJKMCHTHMM-QFIPXVFZSA-N 437.559 5.651 30 10 IKEE C=CCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCOC(C)C)c1 39839401 HXDYKFQBOZDWBL-XMMPIXPASA-N 447.531 5.027 30 10 IKEE COc1ccccc1/C=C1\S/C(=N/c2cccnc2Cl)N(C2CCCCC2)C1=O 39864098 KDQPMZCJQVLQET-ORONYANGSA-N 427.957 5.680 30 10 IKEE C=C(C)C(=O)NCCCCCc1nc2ccccc2n1CCOc1cccc2ccccc12 40219795 DDLWQILYMGHVPW-UHFFFAOYSA-N 441.575 5.674 30 10 IKEE C=CCc1ccccc1OCCCCn1c(COc2ccc(OC)cc2)nc2ccccc21 40235472 OYLWZOYEYKJLJL-UHFFFAOYSA-N 442.559 6.212 30 10 IKEE C=CCc1ccccc1OCCn1c(CNC(=O)c2ccc(C)cc2)nc2ccccc21 40276634 NWJQCKHJDPRBDN-UHFFFAOYSA-N 425.532 5.082 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3c(ccc4c3CN(CCCc3ccccc3)CO4)C2=O)cc1 41655070 PYDMEKCQPVGHMV-PKAZHMFMSA-N 439.555 6.211 30 10 IKEE CCCCCCCOc1cccc(NC(=O)CNc2ccc(C(=O)N[C@H](C)CC)cc2)c1 100100820 JEDWZZXUFHPQQQ-HXUWFJFHSA-N 439.600 5.615 30 10 IKEE CCN1C(=O)C[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)S/C1=N\c1cccc(F)c1 100196093 GQKYEOYGWYSYCH-WGCOJADFSA-N 440.327 5.113 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)S/C1=N/c1ccccn1 101124299 PUBYNPMWRJMYJU-PDQZSPQUSA-N 432.461 5.040 30 10 IKEE CCOc1ccc2[nH]c(C(=O)N3CCC(C(=O)/C=C(/Cl)c4ccccc4)CC3)cc2c1 101493129 MUTVPMOEKHULIO-LTGZKZEYSA-N 436.939 5.268 30 10 IKEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 103224193 DDOKQZLYLWWRCT-UGUGFTGJSA-N 445.515 5.208 30 10 IKEE CC[C@H](CS)COc1c(Br)cc(Br)cc1Br 127127334 MKBXHVQABLUFPB-ZETCQYMHSA-N 433.003 5.309 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc(OC(C)C)c1 169981069 SOCJQZOPZFKKIV-JOCHJYFZSA-N 425.500 5.381 30 10 IKEE CCCCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccccn2)cc1 169993616 AJPPDTGLGUCYTC-DEOSSOPVSA-N 442.515 5.216 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccc(F)cc1 170061139 PMOCQAFFSUOTBI-QHCPKHFHSA-N 437.417 5.206 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccc(C(C)C)cc2)c1 170067419 KCJFHMSGQIONTQ-VWLOTQADSA-N 440.543 5.600 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccccc1F 170072582 MYEVHDWDMOXPDW-XMMPIXPASA-N 433.454 5.062 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(C)o2)cc1 170101447 FOAKDCHMNBDISM-NRFANRHFSA-N 437.879 5.423 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2cccc(C)c2)c1 170141033 GFBPCTQWPSBMBX-SANMLTNESA-N 433.507 6.240 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccn2)c1 170174195 VBNXZLVWZOTDKD-JOCHJYFZSA-N 448.906 5.225 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccnc2)cc1C(C)C 170194115 BHPGWBBETFRSDT-DEOSSOPVSA-N 448.563 5.433 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@@H]1c1cccnc1 170196216 QZDFSQNRLXGRJS-FQEVSTJZSA-N 447.560 5.282 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccncc2)c1 170202726 MTODIRLOBHOKPK-DEOSSOPVSA-N 442.515 5.269 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccccc2)c1 170225749 WYOLXVUWPLFGRU-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(Cl)cc1 170235686 KSXGRLSWEUXIOI-QFIPXVFZSA-N 435.907 5.108 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 170236988 WESWUVSMZUOKSJ-QHCPKHFHSA-N 435.951 5.740 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)cc1C 170238732 YAGQUCHYBDVSEO-HSZRJFAPSA-N 449.453 5.373 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccc(F)cc1)c1ccc2ccccc2c1 170241529 GBNWZSXGRBEKPA-XMMPIXPASA-N 438.458 5.152 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C2CCCCC2)cc1 170266699 DXZYBWFDFNJSGW-SANMLTNESA-N 439.555 6.313 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccco1 170282409 JJTKRKGXKHZVME-JOCHJYFZSA-N 433.479 5.808 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1ccco1 170283731 PYJCMELLMBHJMI-JOCHJYFZSA-N 431.488 5.374 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2c2ccc(F)cc2)o1 170299781 FNLHVRSHVFBFOG-QHCPKHFHSA-N 447.506 6.116 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1sccc1C 170319452 NDMSPKFZFRDXFZ-QRWLVFNGSA-N 425.550 5.148 30 10 IKEE Cc1cccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(Oc3ccccc3)cc2)c1 170461049 GBVSLPIJQKJUMX-DEOSSOPVSA-N 441.527 6.303 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/Oc3ccc(C)cc3C2=O)cc1F 213993170 ABZSZLLRTUETTH-ZVHZXABRSA-N 426.447 5.612 30 10 IKEE CCCCCCCCC[C@@H](O)c1cc(Br)ccc1I 232950387 UNIDIPNYPOWSAK-MRXNPFEDSA-N 439.175 6.228 30 10 IKEE N#C[C@H](C(=O)c1cc(Br)sc1Br)c1c(F)cccc1Cl 236153977 VOOYSKJBKDOVPZ-ZETCQYMHSA-N 437.515 5.556 30 10 IKEE CC[N+](CC)(CCCC(=NO)C(O)(c1ccccc1)c1ccccc1)Cc1ccccc1 254430213 RDRXJUPAAVBLKZ-UHFFFAOYSA-O 431.600 5.590 30 10 IKEE CCC(C)(C)[C@H]1CCc2sc3ncnc(NN=Cc4c(O)ccc5ccccc45)c3c2C1 254569567 RJALSQWHMDZHMB-KRWDZBQOSA-N 444.604 6.537 30 10 IKEE CCOc1ccc(/C=C2/SC(=Nc3cccc(C)c3)N(CCCSC)C2=O)cc1 254705953 RAZKWSMPVZRHGS-YSKMNUJESA-N 426.607 5.751 30 10 IKEE Cc1cc(N=Cc2cc(Br)cc(Cl)c2O)ccc1NC(=O)c1ccco1 254798488 OUGZHCFJRYRYTQ-UHFFFAOYSA-N 433.689 5.712 30 10 IKEE CCOc1ccc(N=C2Sc3nc4c(C)cccc4cc3CN2Cc2ccccc2)cc1 263627407 IRMHCGNJRJNZAV-UHFFFAOYSA-N 439.584 6.738 30 10 IKEE C[C@H](Nc1cc(Br)ccc1I)c1ccc(C#N)cc1 311639333 OYRRZACFVFOYKN-JTQLQIEISA-N 427.083 5.098 30 10 IKEE CSc1nc(O)c(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)c(C(C)C)o2)cc1C#N 439515508 CSWNLFVPSKRAOK-GOSISDBHSA-N 448.548 5.136 30 10 IKEE CCc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(Sc3ccccc3)C2=O)cc1 526657738 SPELDZQDQRUQEU-UHFFFAOYSA-N 425.513 5.110 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)c(F)c2)cc1 526709710 WIPNBEOKVNEARR-HSZRJFAPSA-N 447.481 6.045 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccc(OC(C)C)cc1 526807097 HHYFSXKZPXPFFQ-MYYYXRDXSA-N 443.016 6.236 30 10 IKEE Cc1ccsc1/C=N\n1c(Cc2ccccc2)nnc1SCc1ccc(Cl)cc1 526809132 YYGYDKMZGSDUBS-OYKKKHCWSA-N 439.009 6.067 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1c(Cl)cccc1Cl 526809368 JIBUWTSGNGRTEH-MXAYSNPKSA-N 447.435 6.719 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccc(OC)cc1OC 526821626 BUTRATYGZWLVPR-QQXSKIMKSA-N 446.576 5.576 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1cn(C)c2ccccc12 526822172 UGHNVLQQJFEXHF-YUMHPJSZSA-N 439.588 6.050 30 10 IKEE COc1cccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 586242302 WTBYTGQGBYSIBP-UHFFFAOYSA-N 447.343 5.269 30 10 IKEE C#CCCCCC[C@H](NCCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 686707637 LZPQNKNJDVYVAQ-IBGZPJMESA-N 437.422 6.421 30 10 IKEE C#CCCCCC[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NC 686827382 XGAWHMCIPIGCSB-DEOSSOPVSA-N 441.660 5.108 30 10 IKEE CCCCCCC[C@@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 693654530 JAQSMNGSYUXJKC-SHQCIBLASA-N 445.692 5.885 30 10 IKEE Cc1cccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(F)cc3)C(=Nc3ccccc3)S2)c1 1084623187 SYNAODGVENOFQC-QFIPXVFZSA-N 447.535 5.295 30 10 IKEE C=C1SC(=Nc2ccccc2Cl)N(C(=O)[C@@H](c2ccccc2)C2CCCC2)C1(C)C 1088724184 PFIAJUJZTWYDDH-QFIPXVFZSA-N 439.024 7.169 30 10 IKEE Cc1ccc(N=C2S[C@H](CC(=O)c3ccc(C)c(C)c3)C(=O)N2c2ccc(C)cc2)cc1 1772760141 UHQXDRQJZQQMKP-RUZDIDTESA-N 442.584 6.329 30 10 IKEE C=CCN1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=Nc1ccc(O)cc1C(=O)O 1772760861 DNAYTPNSAWSYDP-HJTUMBPSSA-N 449.315 5.187 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(C)c2)cc1 1862390041 UJPMHCZVCNSXEZ-VWLOTQADSA-N 440.543 5.511 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(O)c2)cc1 1862390245 YSQOOAPWSHTEDH-QHCPKHFHSA-N 431.488 5.106 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2F)cc1 1862391250 WMIGETXDZSZIEE-HSZRJFAPSA-N 449.547 6.008 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@H]1c1ccc(Cl)cc1 1862392440 XVFRRWSADFMNTA-HSZRJFAPSA-N 439.983 6.451 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccccc1C 1862400897 PAWKLJWIKRNIRE-SQJMNOBHSA-N 449.591 6.249 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CCCCC2)c1 1862433921 OIUQALAXIDLUBW-QFIPXVFZSA-N 439.939 5.650 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1 1862444020 WGNNUTZEGPRIGC-MMACOIQUSA-N 427.903 5.636 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(Cl)cc1)c1c(F)cc(F)cc1F 1862458864 WZOSITPQIVDSKX-IBGZPJMESA-N 435.829 5.278 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc(F)c2)cc1 1862473359 ANMFAPRBWJNWBG-IQGLISFBSA-N 443.518 6.036 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2cccc(F)c2)c1 1862489310 UPVAFBKSQFENRH-DEOSSOPVSA-N 447.481 5.403 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc(Cl)cc2Cl)cc1 1862538475 HTMODCNRJJGLGH-HXUWFJFHSA-N 432.347 5.790 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2ccc(F)cc2)cc1 1862555827 JBYCBVQHUFAVAP-VOIUYBSRSA-N 444.506 5.310 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(Cl)c(Cl)c1 1862562839 OSHHEFBKYPYOGI-LJQANCHMSA-N 433.335 5.200 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(O)c2)=C(O)C(=O)N1Cc1cccc(Cl)c1 1862589974 XTJUFTGREXWSKI-JOCHJYFZSA-N 433.891 5.133 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1[C@@H](C)c1ccccc1 1862648558 FHJVFAVHOMDIDN-CCLHPLFOSA-N 447.534 6.488 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(N(C)C)cc1 1862664921 UQJNABDVASCPBG-XMMPIXPASA-N 434.580 5.645 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccc(C)cc2)c1 1862698565 KCELDHRPYNXYHN-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE COc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc4ccccc4c3)C2=O)cc1 1862956122 BTFKVYFSWVTJLX-UHFFFAOYSA-N 445.478 5.117 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2cccc3ccccc23)C1=O 1863224019 DKPGLUGLMBSRJS-LJQANCHMSA-N 443.506 5.665 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(C)c(C)c2)C(=O)N(C[C@H]2CCCO2)C1=O 1863603873 SSNLYFIXYZRRGO-HSZRJFAPSA-N 440.628 5.293 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)NC[C@H](O)c1ccc(Cl)cc1 1866029725 DGVPUYLYSRWYPE-VWLOTQADSA-N 438.096 7.751 30 10 IKEE CCCc1nc(Nc2cccc(C#N)c2)cc(N2CCO[C@@H](c3ccc(CC)cc3)C2)n1 1868378767 SVTLGSPKUJZTFK-HSZRJFAPSA-N 427.552 5.185 30 10 IKEE COc1cccc([C@@H]2c3ccccc3CCN2c2cc(Nc3ccc(C#N)cc3)nc(C)n2)c1 1868496929 PDZWGRKXIMQKTL-MUUNZHRXSA-N 447.542 5.561 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC(Cc3ccc([N+](=O)[O-])cc3)CC2)nc(C(C)C)n1 1869102202 PRXUSGQFAXHQEM-UHFFFAOYSA-N 435.572 5.146 30 10 IKEE CCCCN(CCC)c1nc(NC(=O)c2cccc(C#N)c2)n(-c2ccccc2Cl)n1 1870007789 NQDMQXXIUYQKGQ-UHFFFAOYSA-N 436.947 5.061 30 10 IKEE CCCCCCCCn1cc(OCc2c(C)cc(C)cc2C)c(=O)cc1CSC(C)C 1870243249 KCROLBIJVAUFEG-UHFFFAOYSA-N 443.697 7.355 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(C)cc2)c(CSc2ncccn2)cc1=O 1870259711 FGTJFQCWTZVTKC-UHFFFAOYSA-N 437.609 5.637 30 10 IKEE CCCCCCCOc1cn(Cc2cccc(C)c2)c(CN(CCC)CCCC)cc1=O 1870412805 JBIBXKRSMIZTJT-UHFFFAOYSA-N 440.672 6.566 30 10 IKEE CCCCCCCOc1cn(Cc2ccncc2)c(CN(C)Cc2ccccc2)cc1=O 1870412844 KOQBGVCRBMPDPW-UHFFFAOYSA-N 433.596 5.273 30 10 IKEE C=CCOc1cn(Cc2ccc(F)cc2)c(CNc2ccc(C(F)(F)F)cc2)cc1=O 1870808812 BWWKYZFSNNXLCF-UHFFFAOYSA-N 432.417 5.231 30 10 IKEE CCCCCCCOc1cn(Cc2ccccn2)c(CNc2ccc(OCC)cc2)cc1=O 1870837861 BSYOKTPMPKPWCD-UHFFFAOYSA-N 449.595 5.652 30 10 IKEE CCCCCCCCn1cc(OCCCCCC)c(=O)cc1CNc1cccc(Cl)c1 1871125276 TUUUYJPOLBUGIS-UHFFFAOYSA-N 447.063 7.433 30 10 IKEE CC(C)(C)c1ccc(/C=C2\Oc3c(ccc4c3CN(C3CCCCCC3)CO4)C2=O)cc1 1871347691 QHTYVRWPJNNYAN-XYGWBWBKSA-N 431.576 6.475 30 10 IKEE CCCCC[C@H](CC)N1COc2c(cc3c(c2C)O/C(=C\c2ccc(CC)cc2)C3=O)C1 1871353772 ZUQZGQBIKJDIAU-GEGYVFIFSA-N 433.592 6.684 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc3C2=O)o1 1871372056 XSNRGDIGOLQBFZ-UQQQWYQISA-N 436.463 5.942 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O)c1ccc(-n2cccc2)cc1 1871384222 MJQPATOSQWMJTB-XAABERSQSA-N 433.463 5.869 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4Cl)ccc3C2=O)c1 1871404200 JAEJWWAGOIEOTE-YOBACFSGSA-N 433.891 5.671 30 10 IKEE COC(=O)c1ccc(/C=C2\Oc3c(ccc(OCCOc4cccc(C)c4)c3C)C2=O)cc1 1871405218 AYKDTLCELOOVFO-JLPGSUDCSA-N 444.483 5.164 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OCCOc4ccc(OC)cc4)c3C)C2=O)cc1 1871414474 JPDFUAYECVXRBE-UQQQWYQISA-N 430.500 5.640 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCCC(=O)Nc4ccc(C)cc4)ccc3C2=O)cc1 1871432010 YPRXLOGLVQMSPD-XYGWBWBKSA-N 427.500 5.581 30 10 IKEE CCCOC(=O)[C@@H](CC)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 1871432372 AMOHEZXTCJZZRQ-FYYJVHHASA-N 436.548 6.019 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C(C)C)cc4)ccc3C2=O)c1 1871435533 QOIOVUCXEAECKH-QFEZKATASA-N 427.500 5.752 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OCc4ccccc4C#N)cc(C)c3C2=O)cc1 1871437456 YZOVWJMBBSZCDX-YSMPRRRNSA-N 438.527 5.908 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)c1 1871454622 UMVRFBXYSCPUHA-FMCGGJTJSA-N 447.918 5.899 30 10 IKEE CCCCCCCCN=c1nc(N(CCC)CCC)[nH]c(=Nc2ccc3cc[nH]c3c2)[nH]1 1871588035 NZMAVKKIOJHYKU-UHFFFAOYSA-N 437.636 5.339 30 10 IKEE C=CCN([C@@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1872005638 GYHWFSGOPYKKOV-FQEVSTJZSA-N 442.625 5.113 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1 1872498018 PWABHLIHCRQSIM-JOCHJYFZSA-N 449.016 5.413 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(C)c(C)c1 1872512713 YQLRKSSWJSNLRC-XMMPIXPASA-N 442.625 5.294 30 10 IKEE CCOc1ccc(CCC(=O)[C@@H](C#N)c2nc(-c3cccc(Cl)c3)cs2)cc1OC 1872766866 PYMUKKXGKBVXPQ-GOSISDBHSA-N 440.952 5.680 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccc4ccccc4c3)n2)cc1 1872770034 HNMXHVXPSCZOKT-HSZRJFAPSA-N 426.541 6.307 30 10 IKEE Cc1nc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C(C)C)cc4)cs3)cc2nc1C 1872776598 SQUAHPSZJBXGDC-HXUWFJFHSA-N 426.545 5.984 30 10 IKEE CCCCCCCCCCNC1=C(c2cc(F)cc(F)c2)C(=O)N(CCCCC)C1=O 1873111257 TURZJLVSSRCMFR-UHFFFAOYSA-N 434.571 5.965 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(OCC(C)C)c2)=C(c2cccnc2)C1=O 1873269358 RNCSNVOXKYSFRH-UHFFFAOYSA-N 449.595 5.669 30 10 IKEE Cc1nn(C)c(C)c1/C=N/n1c(C)nnc1SCc1c(Cl)ccc(Cl)c1Cl 1873500756 BYKXQNAZCUMRNP-QPSGOUHRSA-N 443.791 5.072 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cc3ccccc3)cc2)cc2c(NCC(C)C)ncnc21 1873602789 NNEHTXXIRSJSCA-UHFFFAOYSA-N 439.563 5.528 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccccc3[C@H](C)CC)c(=O)oc2c1C 1873916669 DCSHUYWNJJVERU-QGZVFWFLSA-N 433.548 6.059 30 10 IKEE CCCSc1nnc(COc2ccc(OCC)cc2)n1/N=C/c1ccc(C(C)C)cc1 1874236722 WMRUECFBXMVASJ-PCLIKHOPSA-N 438.597 5.764 30 10 IKEE C=CCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1cccc(OCC)c1 1874247763 UYPPWLVMNPHOLX-XIEYBQDHSA-N 436.581 5.157 30 10 IKEE C=CCSc1nnc(COc2cccc(C)c2C)n1/N=C/c1ccccc1OC(C)C 1874324201 DNEAQTLVHFBPQD-MFKUBSTISA-N 436.581 5.421 30 10 IKEE C=C(C)CSc1nnc(CCOc2ccccc2)n1/N=C/c1ccc(N(CC)CC)cc1 1874346521 SRQZAJFQWCRFFL-NLRVBDNBSA-N 449.624 5.296 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccncc1 1874363552 KYSJJSPPVQDHPH-JVWAILMASA-N 447.995 5.595 30 10 IKEE Oc1ccccc1/C=N/n1c(CCc2cccs2)nnc1SCCc1ccccc1 1874371257 QGFZYQGHOJGKNK-JJIBRWJFSA-N 434.590 5.047 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2/N=C/c2cccc(C)c2)cc1 1874390996 PEZRUUJFTIAPID-JVWAILMASA-N 447.007 6.314 30 10 IKEE COc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccc(F)cc2)cc1 1874406782 WCBSDWIVCZNLPJ-WGOQTCKBSA-N 438.572 5.723 30 10 IKEE C=CCSc1nnc(Cc2ccccc2)n1/N=C/c1ccc(OCCC)c(OCC)c1 1874418530 UWLBWMVBOXOQQG-XIEYBQDHSA-N 436.581 5.217 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2sccc2C)cc1 1874454102 ALURIRWCHFKRAV-YDZHTSKRSA-N 439.610 5.227 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2ccccc2F)nnc1C1CCCC1 1874455831 MYRMAKAVQQPRQG-WGOQTCKBSA-N 438.572 6.038 30 10 IKEE COCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874474267 VGXMNKFMSRYOQA-MFKUBSTISA-N 443.016 5.592 30 10 IKEE CCCCOc1ccc(/C=N/n2c(COC)nnc2SCc2ccccc2Cl)cc1 1874501817 BEVMXHXBVZXNMI-ZVHZXABRSA-N 444.988 5.431 30 10 IKEE C=C(C)CSc1nnc(CCC)n1/N=C/c1ccc(OCCCCCC)c(OC)c1 1874507881 ZUBWJSGUYCVTIR-LFVJCYFKSA-N 430.618 5.749 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874510457 OXWSYWURDOZPKK-BRJLIKDPSA-N 438.906 6.077 30 10 IKEE CCOc1cc(/C=N/n2cnnc2SC)ccc1OCc1c(Cl)cccc1Cl 1874534000 MKQRFGQQIDTHOX-AUEPDCJTSA-N 437.352 5.167 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1 1874581266 FAWATLOZZWNTPS-UXBLZVDNSA-N 427.327 6.786 30 10 IKEE CCc1ccc(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1 1874581761 FLFIGTHBBNRNKI-XMHGGMMESA-N 441.571 6.460 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Br)ccc2OCc2ccccc2F)cc1C 1874588552 SHELNJGGFGJHBY-PKNBQFBNSA-N 439.324 6.680 30 10 IKEE COC(=O)c1ccc(COc2cc(/C=C/C(=O)c3ccc4ccccc4c3)ccc2OC)o1 1874592797 CGASAGZWFADNHI-KPKJPENVSA-N 442.467 5.703 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccc(C)cc3C)c2)cc1 1874596334 MASQPWLXAKAEAY-OQLLNIDSSA-N 429.516 5.616 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1Cl 1874613053 ABSMOFNYOCTQSD-IZZDOVSWSA-N 447.745 7.131 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 1874622061 JTUQPCJTCMTRPU-MKMNVTDBSA-N 449.934 7.021 30 10 IKEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1OC 1874627956 FHYHOFDPQBXZJE-OQLLNIDSSA-N 445.515 5.289 30 10 IKEE CCCOc1c(OC)cc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)cc1OC 1874628596 LLAFAOHAIMJAQU-VOTSOKGWSA-N 425.308 5.704 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)ccc1OCc1ccc(C)cc1 1874638637 KKIGYIIMPHMIIN-NTCAYCPXSA-N 438.523 6.641 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)COc3c(C)cccc3C)c2)c1 1874695382 YGXASDYBTXZEIV-ACCUITESSA-N 446.499 5.201 30 10 IKEE COc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3cc(C)ccc3C)ccc2OC)cc1OC 1874703161 BOPLAMLIUFNMGD-DHZHZOJOSA-N 446.499 5.445 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3C)c(OC)c2)cc1OC 1875103854 SKGZXBKQZGTVRZ-FMIVXFBMSA-N 432.472 5.136 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OC(=O)CCOC 1875105824 OISCCEDYHVVDDC-RMKNXTFCSA-N 449.330 5.569 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)c1ccccc1C 1875121330 KSRUCETVTGXMIS-VAWYXSNFSA-N 436.891 5.781 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OC(=O)c1ccc(F)c(F)c1F 1875127639 PQFUGEAKIBHTKR-JXMROGBWSA-N 446.808 5.881 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)c1sccc1C 1875132199 JUMVYNUGWMWYFL-RMKNXTFCSA-N 426.921 6.142 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)COc1cccc(C)c1C 1875136223 DRHRKFNMVVCGSK-GXDHUFHOSA-N 430.500 5.501 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2[N+](=O)[O-])cc1 1875139709 WHHJAXUOBVVSAD-XYOKQWHBSA-N 445.471 5.264 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc1OC 1875153318 AROXQKSIFCIRII-SDNWHVSQSA-N 442.527 6.395 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(OC(C)=O)cc1 1875158535 ADVRCIGOIIAFCZ-LNKIKWGQSA-N 448.446 5.265 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)C3CCCC3)c(OC)c2)c(C)c1C 1875167488 FOVJTLKWVDAZDR-PKNBQFBNSA-N 442.939 5.966 30 10 IKEE C=CCN(CC=C)C(=O)c1cc2c(NCCCCCCCCCC)ncnc2n1CC 1875201314 NCWIMXMRYBBVSG-UHFFFAOYSA-N 425.621 5.818 30 10 IKEE C=CCn1c(C(=O)N(CCC)CCC)cc2c(NCCCCc3ccccc3)ncnc21 1875230075 NTLNIHMXWWQDPA-UHFFFAOYSA-N 433.600 5.314 30 10 IKEE C=C(C[C@@H](NCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)OC 1875649246 AKWWQJRZMBKQKG-NAKRPHOHSA-N 447.575 5.406 30 10 IKEE C=C1CCCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(Br)s2)C1 1889908144 OYLOUSRBYUXWJF-UHFFFAOYSA-N 428.355 5.156 30 10 IKEE O=C(Nc1cccc(-c2ccc(C(F)(F)F)cc2)c1)c1cc(F)ccc1C(F)(F)F 1890642037 DRCIMYULQWWXPS-UHFFFAOYSA-N 427.319 6.783 30 10 IKEE Cc1c(C(=O)NCC#CCOc2cccc(C(F)(F)F)c2)sc2ccc(Cl)cc12 1891457425 DPFQYGXLGUZTES-UHFFFAOYSA-N 437.870 5.694 30 10 IKEE CC(C)(C)OC(=O)N(C1CCC1)[C@@H](C#N)c1ccc(Cl)cc1I 1903735653 CUEDDTZYUWWSAW-HNNXBMFYSA-N 446.716 5.299 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C1(CCC)CCN(C(=O)OC(C)(C)C)CC1 1922068422 IOGQRZPUPITGQB-DEOSSOPVSA-N 444.660 5.945 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CCCC[C@]1(C)NC(=O)OC(C)(C)C 1922078577 XTYXLIPWKFPOEN-FXSPECFOSA-N 430.633 5.601 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]12CCCC[C@H]1CN(C(=O)OC(C)(C)C)C2 1922095296 SKVYCKGMVFOPHI-DPZBCOQUSA-N 442.644 5.555 30 10 IKEE N#Cc1ccc([C@H](CCCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 1951577232 OHEGLCXIOGSAIK-VWLOTQADSA-N 440.499 5.393 30 10 IKEE C=C(Cl)C[C@@H](NCCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1976565053 OHEKBYOUXXSLAE-QPPBQGQZSA-N 437.024 5.341 30 10 IKEE CN(CC[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1)C(=O)OC(C)(C)C 1980082323 UKRYUWHPKNJODS-QFIPXVFZSA-N 437.968 5.621 30 10 IKEE CN(CCC[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F)C(=O)OC(C)(C)C 2002694173 BEVZXENAWIIHSM-QHCPKHFHSA-N 435.540 5.497 30 10 IKEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)C1 2034818618 PGRIHTATHQPXDH-UPRLRBBYSA-N 431.668 6.365 30 10 IKEE C=C(C)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@@H](O)[C@H](O)C[C@@]34C)[C@H]12 2054357194 OESLKRXCBRUCJZ-ZHTUWTMOSA-N 442.728 6.996 30 10 IKEE CN[C@H](CC#C[Si](C)(C)C)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071349257 MQSQVPASNLCXEZ-AREMUKBSSA-N 443.663 6.376 30 10 IKEE Cc1ccc([C@H](n2nc(C3CC3)c(C#N)c2I)C(C)(C)C)cc1F 2079100370 NGQQGCYJSQVBRC-KRWDZBQOSA-N 437.300 5.320 30 10 IKEE Cc1ccc([C@H](n2nc(C(F)(F)F)c(/C=N/O)c2Br)C(C)(C)C)c(F)c1 2079126656 BNMUWUQARDXGSI-GRLVRZOXSA-N 436.247 5.556 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(Cl)cccc1Br 2102881386 ZOJPJJIOUNPNQA-FUHWJXTLSA-N 443.813 5.450 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1c[nH]nc1C(F)(F)F 2154852905 SQKHCVQUJVPMNS-CYBMUJFWSA-N 445.239 5.197 30 10 IKEE C[C@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)Nc1cc(Br)cc(F)c1C#N 2163707435 JVPCYGFDSQVCHD-RBZFPXEDSA-N 440.357 5.345 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)C1(C#N)C[C@H]2[C@H](C1)[C@H]1CC[C@H]2O1 2174477910 NXOHLTDDYANGKV-LBTBCDHLSA-N 433.346 5.040 30 10 IKEE CN(CC[C@H]1CCCCN1c1cc(Br)c(C#N)cc1F)C(=O)OC(C)(C)C 2174808921 TWYUFJYRVSKEBT-OAHLLOKOSA-N 440.357 5.076 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Cl)c(Cl)cc1Cl 2201289474 QXWPIQZXNPWGBY-QZTJIDSGSA-N 435.823 6.547 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(F)c(Br)c(F)c1 2207140182 BMQIKDBSLSHCMI-AEFFLSMTSA-N 445.348 5.075 30 10 IKEE CCCCCCCC[C@](C)(CN)N(Cc1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 2217260532 VYSJJJKHBXMFAH-AREMUKBSSA-N 431.665 5.576 30 10 IKEE CCCN[C@H](C#CC(C)(C)C)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2225439511 NLTZOYKLITYRQR-HHHXNRCGSA-N 441.615 6.935 30 10 IKEE C=CCCC[C@@H](NCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2229118991 TWTFJLPSKGTKJS-MOPGFXCFSA-N 425.411 5.219 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](N)c1cc(Br)cc(C(C)(C)C)c1 2272997240 SINWFJHRCBKJAF-QZTJIDSGSA-N 425.411 5.606 30 10 IKEE COc1ccc(OC)c(C=C2SC(=Nc3ccccc3)N(CCc3ccccc3)C2=O)c1 2293115942 VDFSRGUKTMXNFI-UHFFFAOYSA-N 444.556 5.551 30 10 IKEE CC(=O)N(C=C1Sc2ccccc2C1=O)c1ccccc1-c1nc2ccccc2c(=O)o1 2296240151 RDTIVKSZESGQRP-UHFFFAOYSA-N 440.480 5.038 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(O)c3CN(C)Cc3ccccc3)C2=O)c2ccccc21 2296594462 FKXGRIWUNAQTNC-UHFFFAOYSA-N 438.527 5.615 30 10 IKEE CCN1C(=O)C(=C2Sc3ccc(OC)cc3N2C)SC1=Nc1cccc2ccccc12 2297453498 UXJFJMSIQZUTRE-UHFFFAOYSA-N 447.585 5.842 30 10 IKEE COc1cc(C=C2C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]3(C)C2=O)cc2c1OCO2 2297505008 FBJLPYMCBZFUML-BKODHKOLSA-N 436.592 6.419 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2302796514 RZZWDAGIERRBIC-IPMKNSEASA-N 433.524 5.153 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2304187881 VJBAGNNIVYZEKY-OALUTQOASA-N 427.545 5.110 30 10 IKEE Cc1occc1C(=O)Nc1cccc(C(=O)C=Cc2ccc(-c3ccccc3Cl)o2)c1 2314523390 TVMVCJJTWATBNP-UHFFFAOYSA-N 431.875 6.650 30 10 IKEE O=C(O)c1ccc(C=C2SC(=Nc3cccnc3Cl)N(c3ccccc3)C2=O)cc1 2314540116 JGSLHNNLEZYSFN-UHFFFAOYSA-N 435.892 5.242 30 10 IKEE CCCCOc1ccccc1C=CC(=O)Nc1sc(=S)c2c(c1C#N)CC[C@@H](C)C2 2314795776 PDXWIODOSJAEEL-MRXNPFEDSA-N 438.618 6.305 30 10 IKEE CCCCCCCCCOc1ccc(C=NNS(=O)(=O)c2cccs2)cc1OC 2318415315 OFUXQFVRWVDOOQ-UHFFFAOYSA-N 438.615 5.199 30 10 IKEE Cc1ccccc1CSc1nnc(C)n1N=Cc1cccc(OCc2ccccc2)c1 2321761188 RPIBUWWQTSWOCH-UHFFFAOYSA-N 428.561 5.648 30 10 IKEE CCCCCCCCN1COc2ccc3c(c2C1)OC(=Cc1ccc(N(C)C)cc1)C3=O 2322183767 NLGLAINNGAKNIL-UHFFFAOYSA-N 434.580 5.881 30 10 IKEE CCc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2cccc(C)c2)C4)cc1 2322218102 MGMRWZPBYHNROV-UHFFFAOYSA-N 425.528 5.834 30 10 IKEE Cc1ccccc1NC(=O)COc1ccccc1C=CC(=O)c1ccc(-c2ccccc2)cc1 2322288839 IOPZGILUAQOOIK-UHFFFAOYSA-N 447.534 6.576 30 10 IKEE O=C(C=Cc1c(OCc2cccc(F)c2)ccc2ccccc12)c1ccc2ccccc2c1 2322318077 INRRYERDCVNSST-UHFFFAOYSA-N 432.494 7.607 30 10 IKEE CCN(CC)CCCN1COc2c(cc3c(c2C)OC(=CC=Cc2ccccc2)C3=O)C1 2322378839 VRZWNSUUBUZHLJ-UHFFFAOYSA-N 432.564 5.051 30 10 IKEE O=C(COc1ccc2ccccc2c1C=CC(=O)c1cccc(Cl)c1)NCc1ccco1 2322524913 ZLIFLYFJUDUXFC-UHFFFAOYSA-N 445.902 5.678 30 10 IKEE Cc1cc(OC(=O)c2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1ccccc1Cl)O2 2322699020 VXSZMSGJSDVWLN-UHFFFAOYSA-N 425.267 6.137 30 10 IKEE Cc1c(OC(=O)c2cc3ccccc3o2)ccc2c1OC(=Cc1ccc(N(C)C)cc1)C2=O 2322842768 HDCPTDQWVFVSMQ-UHFFFAOYSA-N 439.467 5.643 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cc(Br)ccc2OCc2ccccc2)c(C)c1 2322948420 WQWNZBLGCFZPCF-UHFFFAOYSA-N 435.361 6.849 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2ccccc2)c(C)c1 2322948947 ARBOEZRXBVMNOK-UHFFFAOYSA-N 433.935 6.179 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccccc2Cl)cc1Cl 2322979042 IMMAPEBJQWSFAY-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE O=C(C=Cc1c(OCc2ccccc2)ccc2ccccc12)c1cc(Cl)ccc1Cl 2322999367 QGJMTNCQELEVMR-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3cccc(C)c3C)c2)cc1 2323157787 NNIITLKMNRJJBE-UHFFFAOYSA-N 443.543 6.006 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OCc3ccccc3Cl)c2)c(OCC)c1 2323286138 TYGAITPVMGRFNY-UHFFFAOYSA-N 436.935 6.613 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1cccc(OCc2c(F)cccc2Cl)c1 2323299965 QKDJAJVPIDONEQ-UHFFFAOYSA-N 445.317 6.925 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OC(=O)C=Cc3cccc([N+](=O)[O-])c3)cc(C)c2C1=O 2323437938 UVYYCLYGLWZHNJ-UHFFFAOYSA-N 447.468 5.508 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cn(C)c4ccccc24)C3=O)cc1 2323791357 VXTIFZKTOPOUBW-UHFFFAOYSA-N 439.467 5.412 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 2323792050 DLTYRWSCUWIKIA-UHFFFAOYSA-N 437.879 6.122 30 10 IKEE Cc1c(OC(=O)c2ccc(OC(C)C)cc2)ccc2c1OC(=Cc1cccc(Cl)c1)C2=O 2323813828 GHWQQEOKYXHXPG-UHFFFAOYSA-N 448.902 6.271 30 10 IKEE CCCCCOc1c(OC)cc(C=C2CN(Cc3ccccc3)CCC2=O)cc1[N+](=O)[O-] 2323854616 DBYBLEVGKHSHAE-UHFFFAOYSA-N 438.524 5.031 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Cl)c1OCc1ccccc1F 2323858617 SYKRSQPZYRGCHH-UHFFFAOYSA-N 438.926 6.970 30 10 IKEE COc1cc(C=C2Oc3c(ccc(OCCc4ccccc4)c3C)C2=O)cc(OC)c1OC 2324281279 FXGAAQQCFYICSI-UHFFFAOYSA-N 446.499 5.259 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(OC)c(Cl)c3)cc2)cc1 2324608328 PJFOGRVVRFVJQB-UHFFFAOYSA-N 449.934 5.825 30 10 IKEE Cc1ccc(C)c(COc2ccc(C=CC(=O)c3cc(Cl)ccc3Cl)cc2Cl)c1 2324652101 AFJLCLODCRNTSQ-UHFFFAOYSA-N 445.773 7.739 30 10 IKEE CCc1ccc(OCCCOc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2324653786 JHTCWDDVQYIOIM-UHFFFAOYSA-N 434.919 6.367 30 10 IKEE COc1ccccc1C=C1Oc2cc(OCCC(=O)Nc3ccc(C)cc3)cc(C)c2C1=O 2325227358 KPRKTBWNOJONIG-UHFFFAOYSA-N 443.499 5.336 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OCC(=O)NCc4ccccc4Cl)c3C)C2=O)c1 2325645492 AEIBICKWDGJZBB-UHFFFAOYSA-N 447.918 5.268 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3cc(F)ccc3F)c2)cc1C 2325715238 VAKOYSZLHABCOU-UHFFFAOYSA-N 438.426 5.162 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1C 2325738437 CXJAPKHFUHHJFP-UHFFFAOYSA-N 441.527 6.061 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccc(C)c(C)c3)c2)cc1F 2325747765 CINQKINAUNWUSB-UHFFFAOYSA-N 448.490 5.504 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)COc3ccccc3)c2)cc1C(C)C 2325754066 BOPZAQFDEKHNSM-UHFFFAOYSA-N 444.527 6.008 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC)c(OC(=O)COc3ccccc3)c2)cc1C 2325770483 QBLGVWPSXKUHQB-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC)c(O)c2Br)cc1OCCC 2325788756 SQNMHQZWAOSWAL-UHFFFAOYSA-N 449.341 5.637 30 10 IKEE CCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccccc1COc1ccccc1 2326241138 ZJUCXXWOMBRQKB-UHFFFAOYSA-N 446.551 5.733 30 10 IKEE COc1c(Cl)cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)cc1Cl 2326349101 YGNDEBZEZPUMBD-UHFFFAOYSA-N 427.744 5.421 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1cccc(F)c1 2326524914 HAPKJIKIJFBAIF-UHFFFAOYSA-N 430.936 5.508 30 10 IKEE Cc1ccc(OCCCc2nnc(SCCc3ccccc3)n2N=Cc2ccc[nH]2)cc1 2327191946 IFMWXXLOWHWXTO-UHFFFAOYSA-N 445.592 5.143 30 10 IKEE C=C(C)CSc1nnc(Cc2cccc3ccccc23)n1N=Cc1cc(Cl)ccc1O 2327751564 DBFOPZBZAYZGGO-UHFFFAOYSA-N 448.979 5.932 30 10 IKEE Clc1ccc(CCc2nnc(SCCc3ccccc3)n2N=Cc2ccc[nH]2)cc1 2328065604 WROAXDMFUGANPD-UHFFFAOYSA-N 435.984 5.262 30 10 IKEE Cc1ccccc1CSc1nnc(CCOc2ccccc2)n1N=Cc1ccccc1O 2329157037 ACMLSSWRDPGUKS-UHFFFAOYSA-N 444.560 5.088 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2cccc(O)c2)cc1 2329247027 ZWDBCPXNQLNCCA-UHFFFAOYSA-N 444.560 5.066 30 10 IKEE C=CCSc1nnc(Cc2ccc(OC)cc2)n1N=Cc1ccc(OCCCC)cc1 2329282944 FNWNKCXXNDEIPV-UHFFFAOYSA-N 436.581 5.217 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccccc3Cl)n2N=Cc2cccn2C)c1 2329576927 QKBZSJFLDFGGEJ-UHFFFAOYSA-N 435.984 5.728 30 10 IKEE Cn1cccc1C=Nn1c(COc2ccccc2)nnc1SCc1cccc(Cl)c1 2329923126 KDCFQIXPEKNTFF-UHFFFAOYSA-N 437.956 5.024 30 10 IKEE C=CCSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1cccc(Br)c1 2330121891 XCXVESIOONOAHH-HNNXBMFYSA-N 427.371 5.353 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccccc3C)nnc2-c2ccccc2)cc1OC 2330635191 RLQRXCMEMSFLKK-UHFFFAOYSA-N 444.560 5.445 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3ccc(C)cc3)cc2)cc1 2330952246 DZJLWEXNVWOVBH-UHFFFAOYSA-N 430.500 5.664 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2ccc(Cl)cc2Cl)nnc1[C@@H]1CCCO1 2331002345 HYIADKSCUZHUFN-IBGZPJMESA-N 447.391 5.919 30 10 IKEE Clc1ccc(C=Nn2c(SCc3ccccc3)nnc2C2CCCC2)cc1Cl 2331069648 HODRTGTVYKPCTB-UHFFFAOYSA-N 431.392 6.417 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc(Cl)c2)c(Cl)c1)c1ccc(Cl)cc1 2331143979 VJFWFAGPJWQNRS-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)[C@H](C)c1ccccc1 2331215941 ZKZSUFPSYANJBR-LJQANCHMSA-N 448.946 6.571 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)CSc1ccccc1 2331237062 WEMZLQPTGBYXRK-UHFFFAOYSA-N 432.541 5.906 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(C)c3)cc2Cl)c1 2331337449 ABPMWIHZZACJIK-UHFFFAOYSA-N 438.882 6.302 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1ccccc1Cl 2331344519 RWVREYMQYKGQOB-UHFFFAOYSA-N 438.882 6.302 30 10 IKEE CC(C)(C)c1nnc(SCc2ccccc2)n1N=Cc1cccc(Br)c1 2331394734 QXHIUKADBFURKA-UHFFFAOYSA-N 429.387 5.513 30 10 IKEE Fc1ccccc1CSc1nnc(C2CCC2)n1N=Cc1ccc(Br)cc1 2331520981 VSWYTTGBHUQZGI-UHFFFAOYSA-N 445.361 5.622 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1OC(=O)CC(C)C 2331649464 RLSIHVLMIHPVNX-UHFFFAOYSA-N 442.983 6.820 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc([N+](=O)[O-])c1OC(=O)c1ccncc1 2331708346 FUIWUMMQQPXEKS-UHFFFAOYSA-N 446.459 5.121 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OC(=O)c2cc(C)cc(C)c2)cc1 2331741369 DBPIYANPXBIBRC-UHFFFAOYSA-N 434.919 6.389 30 10 IKEE CCN[C@H](C#CC(C)(C)OC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2338408426 KZOFISYCZKAPLE-AREMUKBSSA-N 443.587 5.924 30 10 IKEE C[C@](C#N)(Cc1ccc(I)c(Br)c1)c1ccccc1 2349898698 OWRDXRDIZAWLGZ-MRXNPFEDSA-N 426.095 5.078 30 10 IKEE CN(CC1CCN(Cc2ccccc2)CC1)c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2365065038 XJUWXTFRDRKZNW-DTQAZKPQSA-N 447.432 5.075 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCC)c2cc(C)cc(Br)c2OC)C1 2365214509 BCGDELBIXWJELV-GOSISDBHSA-N 439.394 5.030 30 10 IKEE O=C1N/C(=N/c2ccccc2Cl)S/C1=C\c1cc(Cl)cc(Br)c1O 1885895 ANCLOAMUTAUGAT-MLPAPPSSSA-N 444.137 5.353 30 10 IKEE CCc1cc(Br)ccc1OCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 1984343 VBDPBFHYFUXSNU-LBPRGKRZSA-N 433.371 5.087 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)Nc3cccc(F)c3)=C(C)NC3=C2C(=O)CCC3)cc1 10013553 YLLVITODJAWYSI-VWLOTQADSA-N 447.554 5.279 30 10 IKEE CC(C)CCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CCCC3)cc1 14036883 ROFMDLNNEOJLHW-UHFFFAOYSA-N 427.595 5.050 30 10 IKEE C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CNCc1ccccc1 16030883 ZISVYIIZULIHFK-QNEBNACWSA-N 449.635 6.454 30 10 IKEE biogenic CC(C)(C)c1ccc(C(=O)Nc2sc3c(c2C#N)CCN(Cc2ccccc2)C3)cc1 19942231 HBXADYMELSNIOF-UHFFFAOYSA-N 429.589 5.728 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)CCSc2n[nH]c(N/N=C/c3ccccc3F)n2)cc1 20833291 DOORRTCENOJOPH-LZCVXGSNSA-N 440.548 5.024 30 10 IKEE COc1ccc([C@@H]2C3=C(C[C@H](c4ccc(Cl)cc4)CC3=O)Nc3onc(C)c32)cc1O 33324919 FUGDOBUCZVYHSV-NYHFZMIOSA-N 436.895 5.309 30 10 IKEE CCCC/N=C1\Sc2nc3cc(C)cc(C)c3cc2CN1Cc1ccc2c(c1)OCO2 33360757 KMKFFEGEMGYMAP-QPLCGJKRSA-N 433.577 5.844 30 10 IKEE COc1ccc(C(=O)/C=C\c2ccc(Cl)cc2)c(OC(=O)c2cccc([N+](=O)[O-])c2)c1 33441970 QWZBKWLTZDKMOT-GHXNOFRVSA-N 437.835 5.372 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)N1CCOCC1 34955165 QMCKKXJFSLGCEN-NTUHNPAUSA-N 443.499 5.089 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC(=O)/C=C\c3ccccc3)cc2)cc(OC)c1OC 34955171 QVFQEHJWYKTJTD-TYVLLQCESA-N 444.483 5.227 30 10 IKEE C=C[C@@](C)(O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC1CC1 36308842 IENRWUXNOJAQAE-AREMUKBSSA-N 435.543 5.168 30 10 IKEE CCc1ccc2oc(C(=O)c3c(C)c(C#N)c(=O)n([C@H](C)c4ccccc4)c3O)c(C)c2c1 38623480 FJQIDZFZLKZKSS-QGZVFWFLSA-N 440.499 5.191 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(Oc4ccccc4)cc3)ccc21 38707306 OIUANFSWAUZWBX-UHFFFAOYSA-N 442.515 5.669 30 10 IKEE CCCCn1c2ccccc2c2nnc(N/N=C/c3c(OCC)ccc4ccccc34)nc21 64981562 MVAFVZAMMMRABN-WPWMEQJKSA-N 438.535 5.778 30 10 IKEE CCCCCCCC(=O)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)CC(C)C 98017925 TXFDYBWNCCANNX-UHFFFAOYSA-N 440.628 5.696 30 10 IKEE CCCCCCCCCn1c([C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)nc2ccccc21 102103816 CGTKLBXINAILRR-UPVQGACJSA-N 431.624 6.864 30 10 IKEE CCCCCCCCCn1c([C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)nc2ccccc21 102103819 CGTKLBXINAILRR-ISKFKSNPSA-N 431.624 6.864 30 10 IKEE CCN1C/C(=C/c2c(Cl)cccc2Cl)C(=O)/C(=C\c2c(Cl)cccc2Cl)C1 108768708 YWXFWSSWXFFSNG-FOIMCPNXSA-N 441.185 6.672 30 10 IKEE CCCCCCCCCCCCCCCCn1c(/C=C\c2ccccc2)nc2ccccc21 109556653 JEQMDSWFPMYXKH-QPLCGJKRSA-N 444.707 9.688 30 10 IKEE CCCCCCCCCCCCCCCCCCOC1=C(O)[C@H]([C@H](O)CO)OC1=O 144893310 OIRQROBVKNWIIW-IRLDBZIGSA-N 428.610 5.313 30 10 IKEE Cc1ccc(C(C)(C)C)cc1S(=O)(=O)N/N=C/c1ccccc1COc1ccccc1 169902144 GJHXITKDBHHMQV-YZSQISJMSA-N 436.577 5.184 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\S(=O)(=O)c2ccc(C)cc2)cc1OC 169908690 YHWLSFAKAOTIKJ-PLRJNAJWSA-N 431.598 5.941 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)CCc2ccccc2)=C(O)C(=O)N1c1cc(C)ccc1C 169943905 HKLQDBRWTFFJNT-AREMUKBSSA-N 441.527 5.414 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(N(C)C)cc2)ccc1F 169956988 GFHCOZSDRDSNNF-QHCPKHFHSA-N 436.527 5.111 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccc(O)cc2)c1 169958911 FUUPVRQPXJKVPS-JOCHJYFZSA-N 433.891 5.445 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccc(O)cc2)cc1 169961658 PXATXUKFOSUNDP-QFIPXVFZSA-N 433.891 5.391 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@H]1c1ccncc1)c1c[nH]c2ccccc12 170020846 HCHSTCXUZZXGAD-VWLOTQADSA-N 445.478 5.499 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 170057487 QKBNRNQADYBURQ-FQEVSTJZSA-N 425.818 5.401 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2sccc2C)c1 170106636 RQRGVGNVFNSHSW-LJQANCHMSA-N 439.920 5.501 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1C1CCCC1 170126037 LULUOSYPJBNAEV-DEOSSOPVSA-N 427.500 5.369 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1cccc(C)c1 170145874 FCOGTOIYUXIYJM-OAQYLSRUSA-N 439.895 5.009 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2cccnc2)ccc1Cl 170185080 ZPZFVPWUXLYOQD-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccncc2)ccc1Cl 170200669 BSCLZLUGPLWOSS-JOCHJYFZSA-N 448.906 5.225 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccncc2)c1C 170203131 WXDNPQGSMZRLEE-RUZDIDTESA-N 434.495 5.635 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccncc2)cc1C 170204202 SASZSYHVOAAFSH-JOCHJYFZSA-N 448.906 5.225 30 10 IKEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4)[C@@H]3c3ccc(Cl)cc3)ccc2O1 170235311 AGKPPDCKVMMSLQ-IQMFZBJNSA-N 445.902 5.446 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC(C)C)cc3)[C@H]2c2ccco2)c1 170278784 UTFKLHCXTBSPDN-HSZRJFAPSA-N 447.487 5.106 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccco2)ccc1OC(C)C 170281760 LNFUCWXZFZSRBS-JOCHJYFZSA-N 435.451 5.297 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2sccc2C)cc1 170315282 ZSORUJSOTSYLLL-HSZRJFAPSA-N 439.536 6.301 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1ccc(OC(C)=O)cc1 170320561 HWSOTFDVQYNDLW-QHCPKHFHSA-N 449.547 5.206 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(OC)cc2)cc1 170362330 WOKUHPJJCMMVMA-JOCHJYFZSA-N 449.528 5.328 30 10 IKEE Cc1[nH]c2ccccc2c1[C@@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1ccc(Cl)cc1 170404461 XNSBAEUMOAVBDI-HSZRJFAPSA-N 442.902 5.913 30 10 IKEE CCN(CC)c1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]2c2ccc(OC)cc2)cc1 170426537 CLBIJEOQBUGQTB-JOCHJYFZSA-N 436.552 5.057 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)c1 170466669 MHTIGQSXZFSZHO-JOCHJYFZSA-N 435.564 5.898 30 10 IKEE COc1cc(/C=C\C(=O)Nc2ccccc2-c2nc3ccccc3s2)ccc1OCC#N 214448037 AFBDZHRNVTWBIN-QBFSEMIESA-N 441.512 5.526 30 10 IKEE O=C(CSc1nc2ccc(N=Cc3ccc(Cl)cc3)cc2s1)Nc1ccccc1 252623412 OQOUYXAYSNZCTE-UHFFFAOYSA-N 437.977 6.431 30 10 IKEE C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@]43C)[C@H]1C/C(=C/c1ccc(C(F)(F)F)cc1)C2=O 253561772 CMCWTYNIVZMUIH-UXFXMUBISA-N 430.554 7.701 30 10 IKEE Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(N=Cc3ccc(Cl)cc3Cl)cc1)N2 254372390 JAHNEERZSBIKFN-DRLORSAXSA-N 433.382 7.879 30 10 IKEE COc1ccc(C=NNC(=S)Nc2ccc(C(C)C)cc2)cc1OCc1ccccc1 254444310 GHQNPTVHKSJUMM-UHFFFAOYSA-N 433.577 5.718 30 10 IKEE O=c1oc2ccccc2cc1-c1ccc(N=C/C=C/c2ccc(Br)cc2)cc1 254493147 OSZCMIRKLTVHCW-HUHBOQILSA-N 430.301 6.638 30 10 IKEE CC(C)(C)c1ccc(C(=O)N=C2N=C3C=CC(Br)=CN3Cc3ccccc32)cc1 254555018 QEGVOFCGLKLXNS-UHFFFAOYSA-N 448.364 5.591 30 10 IKEE N#Cc1cccc(NC2=C(Cl)C(=O)N(c3ccccc3Sc3ccccc3)C2=O)c1 526677582 XSCKORWKOCZSDH-UHFFFAOYSA-N 431.904 5.145 30 10 IKEE N#Cc1ccccc1N1C(=O)C(Cl)=C(Nc2ccccc2Sc2ccccc2)C1=O 526678843 RMZIECVDRAEBQP-UHFFFAOYSA-N 431.904 5.145 30 10 IKEE CCOc1ccccc1/C=N\n1c(CCc2ccccc2)nnc1SCc1ccccc1 526800175 OSCHGYMMBQGZQW-DIBXZPPDSA-N 442.588 5.637 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1c(O)ccc2ccccc12 526803366 WRHMDTKLIVPACW-YSMPRRRNSA-N 434.540 5.793 30 10 IKEE Fc1ccccc1/C=N\n1c(Cc2ccccc2)nnc1SCc1ccc(Cl)cc1 526808537 OJIZMWJPXNEBFV-YSMPRRRNSA-N 436.943 5.836 30 10 IKEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1c(Cl)cccc1Cl 526813922 GRISVEZVJDRSIE-UYOCIXKTSA-N 446.190 6.375 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1ccc(Cl)cc1 526814743 OWWAFWICSYSYBA-YVNNLAQVSA-N 425.772 5.975 30 10 IKEE C(=N\n1c(Cc2ccccc2)nnc1SCc1cccc2ccccc12)\c1cccs1 526822074 RMJNCHHGHGEGKT-ONUIUJJFSA-N 440.597 6.258 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccc([N+](=O)[O-])cc1 526822453 ZNKHOJOUQPRSCC-IWIPYMOSSA-N 431.521 5.467 30 10 IKEE CCCCCCCOc1ccccc1/C=N\n1c(C)nnc1SCc1cccc(F)c1 526825072 IIKZZRASRVDSCU-ONUIUJJFSA-N 440.588 6.249 30 10 IKEE Cc1onc(-c2ccccc2Cl)c1C(=O)N=C1N=C2C=CC=CN2Cc2ccccc21 606375704 YVKOBTJJEHOHQZ-UHFFFAOYSA-N 428.879 5.188 30 10 IKEE COc1ccc(F)cc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 698499229 YQDFPOBCMPCVEG-KRWDZBQOSA-N 435.293 5.603 30 10 IKEE C=CCC1([C@@H](Cc2cc(Br)ccc2C)NCC)CN(C(=O)OC(C)(C)C)C1 722918191 LGOHCIDDAUHIJW-LJQANCHMSA-N 437.422 5.091 30 10 IKEE C=CCN1C(=O)C[C@H](C(=O)Nc2cccc(Cl)c2)SC1=Nc1ccc(Cl)cc1 1084289781 FVIBBWJCCMJIIH-QGZVFWFLSA-N 434.348 5.140 30 10 IKEE C=CCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)c(C)s1)Cc1ccccc1F 1190484860 CREUZOXFWHTBEJ-UHFFFAOYSA-N 429.948 5.538 30 10 IKEE C=C(C)[C@@H]1CC[C@@H]2[C@]3(C)CC[C@H]([C@H](C)CCC=C(C)C)[C@]3(C)CC[C@]23C[C@@]13CCC(=O)O 1615811192 KNVUFXYCGYEIRS-DWBGQAIKSA-N 440.712 8.429 30 10 IKEE biogenic C=CCN1C(=O)/C(=C/c2ccc(-c3ccccc3Cl)o2)SC1=Nc1nnc(C)s1 1772734604 CRVZYFBJQHHSQV-GNYMFXGWSA-N 442.953 5.550 30 10 IKEE CC(=C/c1ccccc1)/C=C1\SC(=NN=Cc2ccccc2F)N(Cc2ccco2)C1=O 1772758871 GKGGPHXJSSIQFI-YLESHHBMSA-N 445.519 5.872 30 10 IKEE Cc1cccc(NC(=S)N/N=C\c2cn(-c3ccccc3F)nc2-c2ccc(F)cc2)c1 1857810319 BATHXKDHIYWCNG-VYYCAZPPSA-N 447.514 5.446 30 10 IKEE N#Cc1cccc(C(=O)Nc2ncccc2OCC(=O)c2ccc(-c3ccccc3)cc2)c1 1858747090 AAMGOXDIOROVHE-UHFFFAOYSA-N 433.467 5.134 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc3c(OC(=O)c4ccc5cc[nH]c5c4)cccc23)c1 1858929776 BPGOHODXSLGWAG-UHFFFAOYSA-N 431.451 5.664 30 10 IKEE CCOc1ccc(/C=C/C(=O)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1 1860723949 LEBYDXSWWVHAHK-FRKPEAEDSA-N 435.907 5.539 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCC)NC(=O)/C=C/c1ccc(Cl)cc1Cl 1861555510 JBVAEGBLMRKBIA-PKHIPVCBSA-N 427.416 5.768 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C2CCCC2)c1 1862385003 FSCWSEJKMAFRKB-HXUWFJFHSA-N 446.330 5.523 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 1862397222 OKQLVCZZLLLXBN-MHECFPHRSA-N 449.591 5.286 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@H]2c2cccc(C)c2)cc1 1862411451 IEGOPLVAIYWZJO-XMMPIXPASA-N 447.481 5.403 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)c1 1862413356 ARWVDSLCHPPQMU-UPNLOYSTSA-N 441.474 5.130 30 10 IKEE CN(C)c1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CCCCC2)cc1 1862434211 UQDKJUWRBSQCJD-QFIPXVFZSA-N 438.955 5.317 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862461363 CVKCGLFQLKRJDB-ZSEKCTLFSA-N 447.453 5.270 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C34CC5CC(CC(C5)C3)C4)[C@H]2c2cccc(F)c2)cc1 1862473469 BLXSWTONQIEMDZ-GETQMSEISA-N 445.534 5.681 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C34CC5CC(CC(C5)C3)C4)[C@@H]2c2ccccc2F)cc1 1862473895 IDCRVQVUNHRXRD-RZNVFEIWSA-N 445.534 5.681 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2ccc(Cl)cc2)cc1 1862476425 KYALVQWIADBPSO-QHCPKHFHSA-N 431.919 5.735 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cc(Cl)cc(Cl)c1 1862481725 FTBQSPSDPLRVOW-OAQYLSRUSA-N 446.374 6.460 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2cccc(O)c2)cc1 1862490022 MCMUPYCDDGZITI-DEOSSOPVSA-N 427.500 5.096 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862516555 RGLAWRHIYDQHLL-XMMPIXPASA-N 444.531 5.478 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@@H]1c1ccccc1)c1ccc2c(c1)CCCC2 1862544068 VUFWWSHRWRBOBO-AREMUKBSSA-N 441.571 6.034 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2cccc(C)c2)cc1F 1862638740 JBPQZIHWXUGOIO-DEOSSOPVSA-N 449.522 5.612 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 1862661638 WYGPOEBFNBVYSK-DEOSSOPVSA-N 426.516 5.292 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(Cl)cc1Cl 1862668392 XZKZQOCDUGVAGN-FQEVSTJZSA-N 430.331 5.881 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@@H]1c1cccc(Cl)c1)c1ccc(F)cc1 1862676025 YQXNDRLDMJRTIU-HXUWFJFHSA-N 441.911 5.362 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(F)cc1 1862724839 VKUGDWPDJSYRSV-XMMPIXPASA-N 429.491 5.727 30 10 IKEE CCC[C@@H](NC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1ccccc1C#N 1866990463 JAQPNDCEHLWXGI-NHCUHLMSSA-N 446.378 5.528 30 10 IKEE CC(C)[C@H](C(=O)NC(C)(C)C(=O)Nc1cccc(C#N)c1)c1ccc(Cl)c(Cl)c1 1866994704 HMKOHMFDQSDVPC-IBGZPJMESA-N 432.351 5.138 30 10 IKEE CCCCCCCCCCn1cc(OCC(N)=O)c(=O)cc1CSc1ccccc1 1870186009 WMKOMOLUWKXABX-UHFFFAOYSA-N 430.614 5.145 30 10 IKEE CCCCCCCOc1cn(Cc2cccnc2)c(CNc2cc(C)cc(C)c2)cc1=O 1870830416 NRJASIVURZYJLS-UHFFFAOYSA-N 433.596 5.870 30 10 IKEE CCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccccc1CC 1871253739 GXWBVTDRZXVLOX-UHFFFAOYSA-N 429.564 5.664 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(OC(=O)C(C)C)cc4)c3C)C2=O)o1 1871391410 ZVPJPWAAUAIWBC-XKZIYDEJSA-N 446.455 5.293 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4cc(C)ccc4C)cc(C)c3C2=O)cc1 1871410781 BYTSYFFHVAGARG-FQOPDIHJSA-N 441.527 5.942 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4cccc(C)c4C)ccc3C2=O)c1 1871413807 OWKMZKKNTMTYBD-LPANUZLBSA-N 427.500 5.634 30 10 IKEE COC(=O)c1cccc(COc2cc(C)c3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)c1 1871417353 JVASXEGYYKESHU-OYKKKHCWSA-N 443.499 5.043 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4c(C)cccc4C(C)C)ccc3C2=O)o1 1871422298 JLQMBWLNRZLNSV-QRVIBDJDSA-N 431.488 5.654 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1cccc(F)c1)C2=O 1871440536 UQPDWODOUDBABM-UUYOSTAYSA-N 431.463 5.385 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(CC)cc2)[nH]c(N2C[C@H](C)C[C@@H](C)C2)n1 1871585878 UYONFSKZGYFAHJ-NHCUHLMSSA-N 438.664 5.854 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1872249892 NSEPEDQQWSVZSI-HSZRJFAPSA-N 442.625 5.294 30 10 IKEE N#C[C@H](C(=O)CCCOc1ccccc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872759726 XSBYEWGYHFOXSX-XMMPIXPASA-N 438.552 6.513 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(C)c3)n2)cc1OCCC 1872766276 FBTHVSBPIQMPMN-FQEVSTJZSA-N 434.561 6.186 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)Cc2ccc(C)c(C)c2)n1 1872777954 ZYQDVJXMFBFYBB-OAQYLSRUSA-N 432.589 6.152 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccccc1C)n2CC(C)C 1873621224 LHBQDQPCLVDFRS-UHFFFAOYSA-N 435.616 6.420 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(F)cc1)n2CC(C)C 1873621525 VNOFVPWIHSKXFY-UHFFFAOYSA-N 439.579 6.251 30 10 IKEE CSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1ccc(Cl)cc1 1874198009 KCCXPFCKHHUYNN-PCLIKHOPSA-N 436.968 5.700 30 10 IKEE C=CCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccc(C(C)(C)C)cc1 1874256376 XSZXPTLSTRCQNQ-JVWAILMASA-N 448.636 6.240 30 10 IKEE CCCCC1CCC(c2nnc(SCC(=O)OC)n2/N=C/c2cccc(F)c2)CC1 1874286420 FPKCVBGAZVJDTC-ZVHZXABRSA-N 432.565 5.029 30 10 IKEE Cc1ccccc1CSc1nnc(CCCOc2ccccc2)n1/N=C/c1cccs1 1874316395 RLLRQYIDQUFPRM-KOEQRZSOSA-N 448.617 5.834 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(O)cc1 1874401356 MBTGRYTXBHKBDM-AEIQVQRHSA-N 448.979 5.963 30 10 IKEE CCCCc1nnc(SCCc2ccccc2)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874478614 JETSKQTVLGHBES-BUVRLJJBSA-N 444.988 5.205 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc(C(=O)O)cc1 1874485480 XZPGJMLGSCMFLY-FSJBWODESA-N 428.945 5.102 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(COC)nnc1SCc1cccc2ccccc12 1874502517 LLPVXYNKXODBLU-WGOQTCKBSA-N 444.560 5.317 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C(C)C)cc1OC 1874515757 OPMPTEJYCMEXTB-ZMOGYAJESA-N 444.988 5.637 30 10 IKEE Cc1ccccc1COc1ccc(/C=N/n2c(C)nnc2SCc2ccccc2C)cc1 1874528464 LFILWQTUXVZDAO-JVWAILMASA-N 442.588 5.957 30 10 IKEE O=C(COc1ccccc1/C=C/C(=O)c1ccc(Cl)c(Cl)c1)Nc1nccs1 1874578933 NRNUICIABPNRES-SOFGYWHQSA-N 433.316 5.364 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c1OCC(=O)Nc1ccccc1 1874582986 QDHZUZPJGQDNLK-OBGWFSINSA-N 443.543 5.906 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)c1OCCc1ccccc1 1874587148 XWBBPTNHGDGDGY-VAWYXSNFSA-N 448.990 7.100 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OCC(=O)Nc2cccc(C)c2)c1 1874600956 LLENGGPXVBEZCV-PKNBQFBNSA-N 435.907 5.571 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OCC(=O)Nc1ccc(C)cc1C 1874614820 RGCOHTJRBIFXMP-SDNWHVSQSA-N 429.516 5.616 30 10 IKEE Cc1ccc(COc2ccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)cc2[N+](=O)[O-])cc1 1874620641 LJSMUFYSPUDLMT-RMKNXTFCSA-N 431.444 5.150 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OCC)c(OC)c2)cc1 1874625377 AZPGPBCDXSBXRB-XNTDXEJSSA-N 430.972 6.993 30 10 IKEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc1Cl 1874634661 NJEQFGOFGYEBNW-FNORWQNLSA-N 436.335 5.112 30 10 IKEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1Cl 1874637521 DRSHPWJGGWILMD-WEVVVXLNSA-N 440.754 5.790 30 10 IKEE CCCCC1CCC(C(=O)Oc2cccc(/C=C/C(=O)c3cccc4ccccc34)c2)CC1 1874707929 DSKNCXZZTFCUKA-LVZFUZTISA-N 440.583 7.638 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OC(=O)c1ccc(F)c(F)c1 1874707949 FNHKFDLFWIYHIP-UUILKARUSA-N 436.454 6.212 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC(=O)Cc2ccccc2)c1 1874709956 RFSZEORYWVQCTA-FYWRMAATSA-N 428.528 6.037 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccccc2Cl)c1 1874715346 PHCYYZDOBNWTFT-ZHACJKMWSA-N 441.310 6.426 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(F)c(C)c2)CSc2nnc(C3CCC3)n21 1874879739 YNFBVPMNILJRMV-NRFANRHFSA-N 444.620 6.055 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3sccc3C)c(OC)c2)cc1 1875100209 TXAZRVIPARJDLC-DHZHZOJOSA-N 436.529 5.751 30 10 IKEE Cc1ccccc1CCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1 1875109116 WPTDVLDFRBCRGV-LZYBPNLTSA-N 449.344 6.192 30 10 IKEE Cc1cc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3Cl)cc2Cl)ccc1F 1875113578 NXIJHCSZTGSMOI-JXMROGBWSA-N 443.301 6.485 30 10 IKEE O=C(CCOc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1Cl 1875113587 ONZOVQYIWQTGMB-ZRDIBKRKSA-N 441.310 6.264 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2Br)cc1 1875127847 AMNVDIRTBSOKAZ-GXDHUFHOSA-N 435.317 6.127 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OC(=O)c1ccco1 1875165357 UURGCOUUJGLMBH-PKNBQFBNSA-N 448.515 6.234 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc(OC)c1OC(=O)C1CCCC1 1875171235 MKDIJZHOMPLFAK-OUKQBFOZSA-N 448.559 6.041 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)ccc1OC(=O)CC(C)C 1875187681 GIJPCBZNKRBAIZ-FNORWQNLSA-N 437.319 5.858 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)CCc2ccccc2C)cc1 1875191747 BZHHNPFKPXMLCD-NTEUORMPSA-N 434.919 6.091 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)ccc1OC(=O)c1ccco1 1875193581 QFKLVYWPFBSJGB-RMKNXTFCSA-N 426.852 5.456 30 10 IKEE Cc1cc(I)c(OCCCB2OC(C)(C)C(C)(C)O2)cc1Cl 1900011346 BZBBXCKJDPHASR-UHFFFAOYSA-N 436.526 5.114 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC[C@@H](CCC)CCNC(=O)OC(C)(C)C)NCC 1922107056 IZCZVXYIMIYEKS-VWNXMTODSA-N 432.649 5.849 30 10 IKEE CCC[C@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 1945774736 WHQAFCVLMXVVKA-APWZRJJASA-N 435.540 5.400 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@H](C#N)[C@]1(C)CCCN1C(=O)OC(C)(C)C 2020803907 WYOZSKJKJABOHW-JPYJTQIMSA-N 449.979 5.763 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)cc1 2022133055 FNIBKOBQVURJPO-YADARESESA-N 429.561 5.276 30 10 IKEE CC[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2OC)CN1Cc1ccccc1 2029749252 BYZYTAOQFSLVRJ-LVXARBLLSA-N 435.568 5.384 30 10 IKEE CC(C)(C)OC(=O)NCC[C@@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C1 2037234837 ZZHRTUCYLMNXGA-XDHUDOTRSA-N 447.551 5.544 30 10 IKEE Cc1ccc2nc(C)c(C(=O)C=Cc3ccc(Br)cc3)c(-c3ccccc3)c2c1 2053483708 DDDWLUNZOSDSIJ-UHFFFAOYSA-N 442.356 7.177 30 10 IKEE C=C(C[C@@H](NC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)OC 2071344146 JKZSDLKOFIIHLM-SQHAQQRYSA-N 433.548 5.016 30 10 IKEE Fc1cccc(C(F)(F)F)c1Cn1nc(C2CCC2)c(C(F)(F)F)c1Br 2079822871 OWMCUEZYSQPVPQ-UHFFFAOYSA-N 445.176 6.138 30 10 IKEE COc1ccc([C@H](C2CCC2)n2nc(C(F)F)c(C=NO)c2Br)cc1C 2080043195 QVQFQTDOHACNCJ-INIZCTEOSA-N 428.277 5.098 30 10 IKEE Cc1cc(C#N)ccc1Nc1cc(Br)c(Br)c(Br)c1 2095445441 HSLUVKFVDUXILE-UHFFFAOYSA-N 444.952 5.898 30 10 IKEE C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2134990299 WOJQDMOIORPNEZ-LJQANCHMSA-N 447.409 5.451 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@@]21CNc1cc(Br)cc(F)c1C#N 2163688816 WWXDEGCLFTUIID-ZUOKHONESA-N 438.341 5.051 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 2213338163 YXUBNUSRMYLIIH-GLDPYIMESA-N 435.609 5.199 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)cc1Cl 2230379721 CZZBGMNVMFGZSV-MSOLQXFVSA-N 445.829 6.003 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)cc(F)cc1Br 2233950959 CXGVIXAETULRLN-WMZOPIPTSA-N 447.364 5.628 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)[C@H](C)CCCNC(=O)OC(C)(C)C 2235746124 IEJHMBATJOAXIX-YLJYHZDGSA-N 437.422 5.110 30 10 IKEE CN[C@H](C#Cc1ccc(Cl)cc1)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2239460712 YCPVIRSOHNLQLQ-GOSISDBHSA-N 449.776 5.762 30 10 IKEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 2247981423 JXRQYIRRUNXRSH-CYFREDJKSA-N 435.609 5.341 30 10 IKEE Brc1cc(Br)c(NCC#CC2CCCC2)c(Br)c1 2261106153 AZCYYPIDVXMOOI-UHFFFAOYSA-N 435.985 5.580 30 10 IKEE CC1(C)OB(c2cccc(F)c2C(=O)N(Cc2ccccc2)C2CCCCC2)OC1(C)C 2266983275 NWTULVJJEIFYDC-UHFFFAOYSA-N 437.364 5.100 30 10 IKEE C=C(C)CCCC[C@H](NCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2271834560 HBYNRPWSOAENKN-SFHVURJKSA-N 425.411 6.583 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(F)c([C@@H](O)C#Cc2ccc(Br)cc2)cc1F 2296289676 UJVNXDMOFPBCMC-SFHVURJKSA-N 438.268 5.159 30 10 IKEE COc1ccc(C=C2SC(=Nc3cc(Cl)cc(Cl)c3)NC2=S)c(OC)c1 2296882465 VYICKMCPFYBPLP-UHFFFAOYSA-N 425.362 5.703 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@H](C#N)[C@]1(C)CCCCN1C(=O)OC(C)(C)C 2318815825 HRPWNLMSYIPDRY-DVECYGJZSA-N 447.551 5.639 30 10 IKEE Cc1ccccc1COc1ccccc1C=NNc1oc([C@H]2C[C@@H]2c2ccccc2)nc1C#N 2320836896 DOGRESZFIWZVFC-RPWUZVMVSA-N 448.526 6.151 30 10 IKEE Cc1ccccc1COc1ccc(C=Nn2c(C)nnc2SCc2ccccc2F)cc1 2321153311 JYKOFJKMMTTZTF-UHFFFAOYSA-N 446.551 5.788 30 10 IKEE COc1cccc(C=C2Oc3cc(OCc4ccccc4Cl)cc(C)c3C2=O)c1OC 2321761194 UZDIGHTXFORXSM-UHFFFAOYSA-N 436.891 5.861 30 10 IKEE Cc1cc(OCc2cccc(Cl)c2)cc2c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O2 2321766748 PNOBGNPONSZCND-UHFFFAOYSA-N 445.729 7.150 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3c(ccc4c3CN(C3CCCCCCC3)CO4)C2=O)cc1 2322177570 KOURRUMMRYUAEC-UHFFFAOYSA-N 445.603 6.865 30 10 IKEE COc1ccccc1C(=O)C=Cc1c(OCC(=O)Nc2nccs2)ccc2ccccc12 2322479001 VSNHWCIRRYJXTP-UHFFFAOYSA-N 444.512 5.219 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1OCc1c(Cl)cccc1Cl 2323118358 HKUHWTPJYBVYTF-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OCc3c(F)cccc3Cl)c2)c1 2323177853 YLYWQAGEJLHSDR-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE Cc1cc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)ccc1[N+](=O)[O-] 2323273967 ZBQPPJIDMKOIMB-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 2323374523 CQWSWIWFVMGMAU-UHFFFAOYSA-N 438.823 5.632 30 10 IKEE Cc1c(OC(=O)Cc2ccccc2[N+](=O)[O-])ccc2c1OC(=Cc1ccccc1Cl)C2=O 2323395811 MQGYOTPREKDCJA-UHFFFAOYSA-N 449.846 5.321 30 10 IKEE Cc1cc(OC(=O)CC2CCCCC2)cc2c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O2 2323486185 VXWVMIXBYRHBST-UHFFFAOYSA-N 445.342 6.794 30 10 IKEE CCOc1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C)o2)C3=O)cc1 2323512403 NGEUWUMGJHMEPO-UHFFFAOYSA-N 430.456 5.530 30 10 IKEE C=C(C)COc1c(OCC)cc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 2323524361 HURYJYBXYSNQCX-UHFFFAOYSA-N 436.291 6.151 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCc3cccc(F)c3)cc2)cc1OCCC 2323744077 UTOKAGHMLLHNQN-UHFFFAOYSA-N 448.534 6.878 30 10 IKEE CCCNC(=O)COc1ccc(C=CC(=O)c2ccc(OCCC)c(OCCC)c2)cc1 2323744101 XWVOTRBAGBOHPF-UHFFFAOYSA-N 439.552 5.065 30 10 IKEE Cc1cc(OC(=O)c2cccc(OC(C)C)c2)cc2c1C(=O)C(=Cc1ccc(F)cc1)O2 2323808802 APMBRGMRJYDADY-UHFFFAOYSA-N 432.447 5.757 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OCC(=O)Nc1cc(C)ccc1C 2323985578 DNSILGDRJFNDIO-UHFFFAOYSA-N 447.506 5.673 30 10 IKEE CCCCOC(=O)COc1cc(C)c2c(c1)OC(=Cc1cn(CC)c3ccccc13)C2=O 2324293666 LBXYFAMDELZCTE-UHFFFAOYSA-N 433.504 5.308 30 10 IKEE N#C[C@H](C(=O)C=Cc1cccc(Cl)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2324331702 KTICNPGWZYDEQV-HSZRJFAPSA-N 440.955 7.020 30 10 IKEE Cc1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(F)cc2)C3=O)c1C 2324498518 HYWGSDDFEGRCKG-QGZVFWFLSA-N 431.463 5.465 30 10 IKEE CCCOC(=O)COc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1Br 2324548161 LGNSDBBEPICCMC-UHFFFAOYSA-N 445.353 5.602 30 10 IKEE CCCCCCCCCOc1ccc2c(c1C)OC(=Cc1cc(OC)ccc1OC)C2=O 2325191484 DEYYECDIVFCOCE-UHFFFAOYSA-N 438.564 6.758 30 10 IKEE Cc1c(OCc2nc(O)c3ccccc3n2)ccc2c1OC(=CC=Cc1ccccc1)C2=O 2325205950 WPKUUMJKHCHBSX-UHFFFAOYSA-N 436.467 5.395 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4c(C)cccc4C)ccc3C2=O)cc1 2325494454 BZYQGJZJKDBBTI-UHFFFAOYSA-N 427.500 5.500 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2ccc(F)cc2F)cc1OC(=O)C(C)C 2325725820 VANGVPJJYWMHHU-UHFFFAOYSA-N 439.252 5.193 30 10 IKEE Cc1ccc2oc(=O)cc(COc3ccc4c(c3C)OC(=Cc3sccc3C)C4=O)c2c1 2325741695 BUVMAPZIDQFDPS-UHFFFAOYSA-N 444.508 5.975 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)c2cnc(C)cn2)c1 2325756119 WQLWIESGNUCKRZ-UHFFFAOYSA-N 443.286 5.216 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccccc3[N+](=O)[O-])c2)cc1Cl 2325769582 FQIGJJDVJMMSQW-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE CSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1ccc(C(C)C)cc1 2325907074 YTSSNCMOZIWJHE-UHFFFAOYSA-N 435.380 5.891 30 10 IKEE Cc1nnc(SCc2ccccc2Cl)n1N=Cc1cc(Cl)c(O)c(Cl)c1O 2326545799 JHJATXSFFKRSKN-UHFFFAOYSA-N 443.743 5.132 30 10 IKEE C=CCSc1nnc(COc2cc(F)ccc2F)n1N=Cc1ccc(C(C)(C)C)cc1 2327476167 QDJWPOSDEFNHCG-UHFFFAOYSA-N 442.535 5.593 30 10 IKEE CCCSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc(OC)cc1OC 2327976900 IUVPQQNEMFVSGI-UHFFFAOYSA-N 444.988 5.118 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccccc3F)n2N=Cc2ccco2)CC1 2328164799 WHTRDMHNIREUCV-UHFFFAOYSA-N 440.588 6.649 30 10 IKEE CCOc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2ccco2)cc1 2328568175 ZXCCFFVQNBKNOS-UHFFFAOYSA-N 432.549 5.078 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1cccc(OCC)c1 2329101322 MXEVAZMISKHXPL-UHFFFAOYSA-N 426.973 5.471 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2ccc(Cl)cc2)cc1 2329277973 VBMSNPNDYWNOGP-UHFFFAOYSA-N 448.979 5.705 30 10 IKEE C=C(C)CSc1nnc(COCc2ccccc2)n1N=Cc1c(F)cccc1Cl 2329341243 OGAHYEXLQAFWLL-UHFFFAOYSA-N 430.936 5.338 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccccc3)n2N=Cc2ccc(Cl)cc2)c1 2329898482 UNNSUGSEUPNHHP-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2cccc(F)c2)cc1 2329941878 NEPKBTOKODLDHK-UHFFFAOYSA-N 430.552 5.799 30 10 IKEE CC(C)C(=O)Oc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1Br 2330600237 JXONUXZGPVZEDK-UHFFFAOYSA-N 449.344 6.574 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(Cl)cc3)c(OC)c2)cc1 2330770003 RGHUKYUNANJTQZ-UHFFFAOYSA-N 434.919 5.955 30 10 IKEE CC(C)COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2)cc1 2331138487 WVKYPIYMEKKSBU-UHFFFAOYSA-N 434.919 6.490 30 10 IKEE Cc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C(F)(F)F)cc1 2331146918 VPBQHSOLZJWLNX-UHFFFAOYSA-N 426.467 5.933 30 10 IKEE Cc1cccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C(F)(F)F)c1 2331156076 ITBCCYMHYWTKOB-UHFFFAOYSA-N 445.297 6.087 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)cc2)ccc1F 2331333079 UKNLXAXCGLEBDH-YADHBBJMSA-N 434.894 6.393 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2ccc(Cl)cc2)nnc1C(C)(C)C 2331403987 PWYKIGXSYFIKOA-UHFFFAOYSA-N 443.016 6.192 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)c(F)c3)c(Cl)c2)cc1 2331494279 QACYOSFUIMEIFA-UHFFFAOYSA-N 440.873 6.857 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)Cc1ccc(F)cc1 2331539418 FHOUTZJYTCZIAM-UHFFFAOYSA-N 448.465 5.746 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccccn3)c(Cl)c2)cc1C(C)C 2331575133 JUEOFQRETMUODY-UHFFFAOYSA-N 449.934 6.291 30 10 IKEE COc1cccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C(C)C)c1 2331705248 WBFDJSOGYGBEBI-UHFFFAOYSA-N 435.380 5.891 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)ccc1OC(=O)C(C)(C)C 2331758591 YRDGWBRPQQBGEB-UHFFFAOYSA-N 430.928 5.903 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)c(C)c1 2331764642 SUAFPHHKWVZVGX-UHFFFAOYSA-N 426.556 7.025 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)c2cnccn2)c(Cl)c1 2331792948 HWIOCEUELJNIQI-UHFFFAOYSA-N 434.923 5.851 30 10 IKEE CC1(C)OB(C=Cc2ccc(Oc3cc(Br)ccc3Cl)nc2)OC1(C)C 2365112709 YAKBYLSRZYACDE-UHFFFAOYSA-N 436.542 5.934 30 10 IKEE SCCCCCCCCCOCc1cc(I)ccc1Cl 2380377110 GNPSYRYSGPSRAK-UHFFFAOYSA-N 426.791 6.122 30 10 IKEE N#CCCN1N=C(c2ccccc2)/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)C1=O 9171810 UJFLGJUBFUBWQV-NCELDCMTSA-N 443.510 5.083 30 10 IKEE COc1c(Cl)cc(C(=O)NC(=S)Nc2ccc(C3(C#N)CCCC3)cc2)cc1Cl 20978252 QBPMSWHMKUMGJB-UHFFFAOYSA-N 448.375 5.464 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NC[C@@H]1CCCO1)[C@@H]2c1ccccc1 21722103 CTZAQFNJTNQTIO-UQBPGWFLSA-N 445.563 5.192 30 10 IKEE COc1ccc(N/C(=N\N=C\c2ccc(OC)c(OC)c2)c2ccc3ccccc3n2)cc1 33483080 WZRNUZBDWFQRCH-WPWMEQJKSA-N 440.503 5.153 30 10 IKEE C=CCC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C1CC1 36345889 MLGAVALASYYZKP-XMMPIXPASA-N 431.580 5.573 30 10 IKEE C=CCN1C(=O)c2[nH]nc(-c3c(C)cc(C)cc3O)c2[C@@H]1c1ccc(Cl)c(Cl)c1 38704780 GTFBTQPAOWVDAB-NRFANRHFSA-N 428.319 5.437 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1cccc(O)c1 40094210 UHRNNWBLTUGFHB-HSZRJFAPSA-N 437.536 5.114 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3c(ccc(OC(=O)c4cccc(C)c4)c3C)C2=O)c1 41355095 RPNZWFJRXYIHCB-UCQKPKSFSA-N 430.456 5.156 30 10 IKEE CCCOc1cccc([C@H]2C(C(C)=O)=C(C)Nc3nc(SCc4ccccc4)nn32)c1 54644173 VIXPWWZYQHMCBV-QFIPXVFZSA-N 434.565 5.237 30 10 IKEE COc1ccccc1Oc1ccc(C(F)(F)F)cc1/N=C/c1cc([N+](=O)[O-])ccc1O 59516433 KYNDBJHYOOPOLY-BRJLIKDPSA-N 432.354 5.871 30 10 IKEE CCCCCCCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2cccc(C)c2)c1 98021572 GILYKPZRGKMCBT-AREMUKBSSA-N 438.637 6.853 30 10 IKEE CCCCCCCOc1cccc(NCC(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)c1 100089943 HZVCKEHLYAJXOD-VWLOTQADSA-N 440.584 5.644 30 10 IKEE CCCCCCCOc1cccc(NC(=S)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 100285136 FIGLLTHTKWTVRG-NTCAYCPXSA-N 441.553 5.470 30 10 IKEE FC(F)(F)/C(=N\C1(C(F)(F)F)Oc2ccccc2O1)Oc1ccc2ccccc2c1 100892273 YIPXFLFQKYYGPY-WPWMEQJKSA-N 427.300 5.867 30 10 IKEE CCCCCCCCS(=O)(=O)N1CCC[C@@H]1c1nc2cc(-c3ccccc3)ccc2o1 103013429 KFDSSMHTXZURHV-HSZRJFAPSA-N 440.609 6.322 30 10 IKEE Cc1ccc(/N=C2\NC(=O)S\C2=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 105909811 RWOPJSZEHLHJMC-XDHOZWIPSA-N 428.435 6.801 30 10 IKEE Cc1ccc(N[C@@H](n2nnc3ccccc32)C(F)(F)C(F)(F)C(F)(F)C(F)F)cc1 106871206 HPINYSAOJUHMMK-HNNXBMFYSA-N 438.322 5.521 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(OCc3ccccc3)cc2)c(C)c2cc(C(C)C)ccc21 169870228 MUDPYIKNKGJZLK-UHFFFAOYSA-N 438.571 7.090 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2sc(C)nc2C)=C(O)C(=O)N1c1ccc(C)cc1C 169945444 SVMDDSFSTVCHGR-NRFANRHFSA-N 448.544 5.168 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccco2)c1 170038814 MRKGZQFAGQBNQZ-NRFANRHFSA-N 437.879 5.110 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2ccccc2)cc1 170051991 PSKGDENXZDTDFB-HSZRJFAPSA-N 447.918 5.830 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2ccccc2)c(C)c1 170052191 VGLGQHDGBHMWDH-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccccc2F)cc1 170071366 QSFRVAUYFGAFAQ-NRFANRHFSA-N 432.838 5.134 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2C)cc1 170088734 FRTRDQBLWKYZFZ-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)[C@H]1c1ccco1)c1ccc(Cl)cc1 170095373 RQCOLEWCJGMBMJ-SFHVURJKSA-N 447.796 5.735 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@@H]1c1cccs1 170165111 BNWHIIIJOJVSMR-SFHVURJKSA-N 438.574 5.558 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2cccnc2)c(C)c1 170190432 IIDULISQOLQPAR-XMMPIXPASA-N 442.515 5.269 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccccc2)ccc1Cl 170228329 LCZFQSWBPBBMIB-JOCHJYFZSA-N 444.874 5.003 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1ccc(F)cc1)c1ccc2ccccc2c1 170239319 ONNSESODUYUFLI-XMMPIXPASA-N 439.442 5.467 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@@H]2c2ccc(F)cc2)cc1 170243251 RMFLDGRNHQCSAN-HSZRJFAPSA-N 439.527 5.773 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1cccc(O)c1)c1cccc2ccccc12 170258851 JFUWAHHUZYPYBL-XMMPIXPASA-N 437.451 5.034 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3c(OC)cccc3OC)=C(O)C(=O)N2C2CCCCC2)cc1 170266692 WWWVUUDXNKDBDL-DEOSSOPVSA-N 449.547 5.177 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccc2C)c1 170271393 MBMBXQVGBXHPLI-VWLOTQADSA-N 441.527 5.875 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccco2)c1 170286524 FDCLOCASQLSHSE-NRFANRHFSA-N 437.879 5.503 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@@H]1c1ccco1)c1cc2ccccc2o1 170287249 FQXAODSBCAJTOO-XMMPIXPASA-N 435.435 5.962 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C(C)(C)C)ccc3C)[C@@H]2c2ccc(C)o2)c1 170300467 TZFNDIRYVWBDJO-DEOSSOPVSA-N 443.543 6.285 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(Cl)c2)o1 170303499 GQYVYGUGMNURES-IBGZPJMESA-N 428.271 5.678 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(OC(F)(F)F)cc2)[C@H]1c1ccccc1)c1cccs1 170371060 OCSUTMAELFIFAL-SFHVURJKSA-N 445.418 5.430 30 10 IKEE CCOC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccccc2C)c1 170398848 AYTLMRCNLQESSM-NRFANRHFSA-N 447.512 5.016 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2cccc(Cl)c2)cc1O 170409274 CHKRRSJVYAVWTO-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 170466857 UJDNFJIKOVJWEH-HSZRJFAPSA-N 444.531 5.426 30 10 IKEE Oc1ccccc1C=Nc1cc2c3c(c1)[C@@H](c1ccccc1)CCN3CC[C@@H]2c1ccccc1 254386176 BRGJIRDEULZHNL-KAYWLYCHSA-N 444.578 7.020 30 10 IKEE CCOc1ccc(NC(=O)c2c(N=Cc3ccc(OC)cc3)sc3c2CC[C@@H](C)C3)cc1 254517641 CYZPROLUPJYXBY-QGZVFWFLSA-N 448.588 6.283 30 10 IKEE CC(C)COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccc(F)c2)c1 526488135 JODZLBOFUWYUOV-VWLOTQADSA-N 442.490 5.789 30 10 IKEE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccc(Cl)c2)c1 526490401 NRIKGBFANWWVMC-HSZRJFAPSA-N 446.890 5.286 30 10 IKEE COc1cccc([C@@H]2C(c3cccc4ccccc34)=C(O)C(=O)N2c2ccccc2C#N)c1 526611218 TVGXFUHYDMJBFH-AREMUKBSSA-N 432.479 5.777 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1ccc(O)c(Cl)c1 526818895 GENIQRQNEMUOAT-CFRMEGHHSA-N 428.989 5.771 30 10 IKEE O=[N+]([O-])c1ccccc1/C=N\n1c(Cc2ccccc2)nnc1SCc1cccc(F)c1 526826108 UOSJXBCUZULVRL-MYYYXRDXSA-N 447.495 5.091 30 10 IKEE N#Cc1cccc(CN(c2cccc3ccccc23)S(=O)(=O)c2ccc(Cl)cc2)c1 586217905 KDHFICGDYZSXNB-UHFFFAOYSA-N 432.932 5.760 30 10 IKEE C=CCN(c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586244295 BCXCHNICDIOMFX-UHFFFAOYSA-N 426.243 5.273 30 10 IKEE N#Cc1cccc(NC(=O)Nc2ccc(C(=O)Nc3cccc(Br)c3)cc2)c1 586721832 DXSMDPLAJWFLIY-UHFFFAOYSA-N 435.281 5.217 30 10 IKEE COc1cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)ccc1O 698444204 MAOALVPZHIDTSZ-INIZCTEOSA-N 433.302 5.170 30 10 IKEE COc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)cc1C 698461180 XSZJOJQDBUYXGZ-SFHVURJKSA-N 431.330 5.773 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@@H](C#N)c1cc(Br)ccc1F 698849005 BELOWEZNYYSZJB-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@@H](C#N)c1ccc(Br)cc1F 698850402 JFKXQNZSYGCJNL-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 698906521 ZRCQGZVYSOQAEB-QMHKHESXSA-N 433.524 5.106 30 10 IKEE CCCCCCCCCCCCCCOc1ccc(C=Nc2ccc(CCC)cc2)cc1 1081820385 CZBZGGDEZKZORW-UHFFFAOYSA-N 435.696 9.470 30 10 IKEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CCCC1(C)C 1689841883 PSAPPPKFZNPMFE-RDJZCZTQSA-N 445.405 5.000 30 10 IKEE CC(=C/c1ccccc1)/C=C1/SC(=NN=Cc2ccccc2C)N(Cc2ccco2)C1=O 1772757521 PYRWDHQGFOLKPZ-MHFHVVKZSA-N 441.556 6.041 30 10 IKEE CCc1ccc(-n2cc(/C=N\NC(=S)Nc3ccccc3)c(-c3cccs3)n2)cc1 1857809798 ACRSSGKQTDSSHY-IWIPYMOSSA-N 431.590 5.484 30 10 IKEE N#Cc1ccccc1NC(=O)Oc1cccc2c(NC(=O)c3ccc(Cl)s3)cccc12 1858779267 FHIIZBRRTDBZLW-UHFFFAOYSA-N 447.903 6.290 30 10 IKEE Cc1cccc(C(=O)Nc2cccc(OCC(=O)Nc3sc4c(c3C#N)CCCC4)c2)c1 1860092974 RKRLMRKFRVWRBN-UHFFFAOYSA-N 445.544 5.077 30 10 IKEE N#Cc1cccc(COc2ccc(NC(=O)c3ccc(OCc4ccccc4)cc3)cc2)c1 1860155392 OMVPEMQVISZKDA-UHFFFAOYSA-N 434.495 5.969 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)COc1ccccc1OCC 1861630560 CFVXKFHDWGXGGF-JOCHJYFZSA-N 448.648 5.396 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1cc(Cl)cc(Cl)c1 1862388124 BETNOWAEDGTZAT-INIZCTEOSA-N 445.129 5.898 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@H]1c1cccc(F)c1)c1ccccc1Cl 1862430595 NKXBRYKXERUMPX-QFIPXVFZSA-N 439.914 5.948 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)c1 1862444537 AJMXZCQAUVUYPP-WAIKUNEKSA-N 447.918 5.688 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 1862494255 JFJOTYOLTXBUCK-XMMPIXPASA-N 433.592 6.225 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2ccccc2F)cc1 1862530463 QWAFSIJOUHDZBZ-DEOSSOPVSA-N 429.491 5.475 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2cccc(C)c2)cc1OC 1862576364 SQVIGKWSSDLMOK-DEOSSOPVSA-N 449.547 5.313 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CC(C)C)cc1 1862599913 MZXURUGKPBSSIN-QHCPKHFHSA-N 437.536 5.196 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(C(C)(C)C)cc1 1862610473 LZYCBACHZWOMPW-WAIKUNEKSA-N 449.547 5.132 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(OC)c(O)c1 1862618932 JZCOVQQFBOCBRM-IVZQSRNASA-N 437.536 5.075 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2cccc3ccccc23)cc1 1862619842 DBRXSPUJFAQXIM-DEOSSOPVSA-N 425.528 5.878 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccc(C)cc2)cc1 1862648628 GWTXQSLCIFJSKH-HHHXNRCGSA-N 447.534 6.235 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCc2ccccc2)cc1 1862660472 LSTUJUNBHKQVHR-AREMUKBSSA-N 439.555 5.939 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 1862676301 GJAQJIAWADIIPZ-OAQYLSRUSA-N 438.455 5.035 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc2cc[nH]c2c1 1862678361 MPABUGZDETXJCM-YCASGBEESA-N 432.495 5.464 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862689878 BOFRJBBJQKZHLG-IBGZPJMESA-N 434.319 5.380 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862690227 KBNMMVBGYIGWKK-DJJJIMSYSA-N 433.426 5.091 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@H]1c1ccccc1)c1ccc2ccccc2c1 1862713448 OZBLACWDAXQQDC-DEOSSOPVSA-N 439.536 5.722 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1C 1862713667 SXZIPLBOLNEDTL-VWLOTQADSA-N 427.544 6.307 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(N(C)C)cc1 1862714506 KTTBPHYTSPYDBO-BXKMTCNYSA-N 428.532 5.283 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccccc1 1862722324 PPONEJNOKBLXEI-RUZDIDTESA-N 441.527 5.357 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccc(Cl)c1 1862751374 LIFVUVSRWZTJCC-LJQANCHMSA-N 428.872 5.017 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccccc2C)=C(c2ccccc2F)C1=O 1863296769 ADCPANKDYDYXEP-UHFFFAOYSA-N 436.571 6.467 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2OC)C(=O)N(C2CCCC2)C1=O 1863762414 PGPGBFODYISZSK-UHFFFAOYSA-N 426.601 5.448 30 10 IKEE CCCOc1ccc(-c2csc(NC(=O)c3ccccc3CC#N)c2C(=O)OCC)cc1 1866215012 WKNZQIPPNQMSML-UHFFFAOYSA-N 448.544 5.699 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(C(C)C)cc2)c(=O)cc1CSCCO 1870272501 PLNDTMHKZMXBBY-UHFFFAOYSA-N 445.669 6.137 30 10 IKEE CCCCCCCCn1cc(OC)c(=O)cc1CSc1ccc(Br)cc1 1870297030 DOUZTWAETARNLD-UHFFFAOYSA-N 438.431 6.272 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(C(C)C)cc2)c(=O)cc1CN(C)CCO 1870472378 UTOMMDXVWPZHBJ-UHFFFAOYSA-N 442.644 5.335 30 10 IKEE CCCCCCCCCCn1cc(OCCC)c(=O)cc1CN(C)Cc1ccccc1 1870657521 LFALSPHJWJGOMN-UHFFFAOYSA-N 426.645 6.410 30 10 IKEE CCCCCCCCn1cc(OCCCCCC)c(=O)cc1CNc1cccc(OC)c1 1871125319 VSYNATVYOLCKDK-UHFFFAOYSA-N 442.644 6.789 30 10 IKEE CCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(F)c(F)c1 1871253920 LFYFRZNOTXXIOE-UHFFFAOYSA-N 437.490 5.379 30 10 IKEE CCc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(CCCCN3CCCC3)C4)C2=O)cc1 1871355201 XBQGWAMJTLHSGK-XYGWBWBKSA-N 446.591 5.202 30 10 IKEE COc1ccc([C@H](C)N2COc3c(cc4c(c3C)O/C(=C\c3ccc(C)cc3)C4=O)C2)cc1 1871359599 RTBXNVILTIPGCA-YCCHBACSSA-N 441.527 5.841 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OC(=O)/C=C/c4ccc(Cl)cc4)c3C)C2=O)c1 1871375172 WWQRMKLXOMRNHS-DIBFYORYSA-N 446.886 5.892 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871375250 AWNYMUYIVXCNFK-IWIPYMOSSA-N 428.484 5.466 30 10 IKEE CCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871379881 KWPNVRPNUDJRSJ-MNNJAOHFSA-N 430.456 5.530 30 10 IKEE Cc1cc(OCCCOc2ccccc2)cc2c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O2 1871398329 OTKAOPBTWCUYOB-HAHDFKILSA-N 431.444 5.367 30 10 IKEE Cc1c(OCCCc2ccccc2)ccc2c1O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 1871399059 BMXFAXXHQLYMAS-HAHDFKILSA-N 439.338 6.930 30 10 IKEE C[C@@H](Oc1ccc2c(c1)O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O)C(=O)Nc1ccccc1 1871403927 DFIKILLRQLJSSJ-NAHYFOQLSA-N 441.527 6.006 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871412507 UARAHOXQOCKBAU-BEXDPUPVSA-N 443.499 5.334 30 10 IKEE CCc1ccc(NC(=O)[C@@H](CC)Oc2ccc3c(c2)O/C(=C\c2ccccc2)C3=O)cc1 1871425803 PKIYBDCGRLUJHA-TXUMJUCDSA-N 427.500 5.661 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1cccs1)C2=O 1871431877 PPNAWHYVEIJQOK-OJSPLJLUSA-N 433.529 5.696 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C\c3ccc4c(c3)OCCO4)n2)cc1 1872762347 JZTOWLCSXTVHRI-OQFUBPRESA-N 444.556 5.814 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)c3cccc(OCC(C)C)c3)n2)cc1C 1872788054 WECOLGGEFRKRIY-NRFANRHFSA-N 434.561 5.960 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2Cl)C(=O)N(CCCCCCCC)C1=O 1873032361 PMAGNSBPBPMKAW-UHFFFAOYSA-N 447.063 6.731 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@H]2CCCC[C@H]2C)=C(c2cccnc2)C1=O 1873081175 HSDSLADYKMKQRG-IRLDBZIGSA-N 425.617 5.471 30 10 IKEE CCCSc1nnc(COCc2ccccc2)n1/N=C/c1cccc(Br)c1 1874355137 QMFZSIYKLSUGOD-LPYMAVHISA-N 445.386 5.142 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2C)n1/N=C/c1cccc(O)c1 1874361414 SQMINDGJNOBGLI-WPWMEQJKSA-N 442.588 5.560 30 10 IKEE CCCSc1nnc(CCc2ccccc2C)n1/N=C/c1ccc(Cl)c(Cl)c1 1874363735 UKZSPBKKQZXVGS-ZVHZXABRSA-N 433.408 6.063 30 10 IKEE Fc1cccc(CSc2nnc(-c3ccccc3Cl)n2/N=C/c2ccccc2F)c1 1874365908 ALUDJBCNKVLRGB-LGJNPRDNSA-N 440.906 6.051 30 10 IKEE CCc1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SCCc2ccccc2)cc1 1874376365 SJAYLIKZWFZHCM-TURZUDJPSA-N 444.579 5.787 30 10 IKEE Fc1cccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2-c2cccs2)c1 1874424668 XGZCMSHLAOPEML-FSJBWODESA-N 428.945 5.974 30 10 IKEE C=CCSc1nnc(C2CCCC2)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874456878 OZWMXZSGTMYSKT-KOEQRZSOSA-N 432.549 5.315 30 10 IKEE CC(C)c1nnc(SCc2cccc(Cl)c2)n1/N=C/c1cccc(Br)c1 1874515583 GJDYEDNNJQIKTI-SSDVNMTOSA-N 449.805 5.992 30 10 IKEE CCCOc1c(/C=N/n2c(SCc3ccccc3C)nnc2C2CC2)cccc1OC 1874516319 REJADXRCYCPHRC-MFKUBSTISA-N 436.581 5.436 30 10 IKEE Cc1ccc(Cc2nnc(S)n2/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1 1874561441 RMQPPWCVWNHOON-CVKSISIWSA-N 448.979 5.581 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(S)nnc1COc1ccc(Cl)c(C)c1 1874568271 PFSWWMQPVKMWBH-WYMPLXKRSA-N 438.940 5.152 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1Cl 1874600194 YWHLQYAEHSWENC-JXMROGBWSA-N 447.745 7.131 30 10 IKEE C=C(C)COc1c(Br)cc(/C=C/C(=O)c2cccc(OC)c2)cc1OCC 1874606164 ZOFFVXLQFYQRFK-MDZDMXLPSA-N 431.326 5.707 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)N(CC)CC)c(OCC)c2)cc1 1874607647 XUZXPCLEHIXNTP-GHRIWEEISA-N 437.580 5.571 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2OC)cc(OC)c1OCc1ccc(Cl)cc1 1874611735 SMCVDMONGSIANN-NTCAYCPXSA-N 448.946 6.561 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCc3c(F)cccc3Cl)c(OC)c2)cc1 1874615095 GXYSKBMMZYNOTR-NTUHNPAUSA-N 440.898 6.362 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OCC)cc2)cc(OC)c1OCc1cccc(F)c1 1874615144 JLVIJIZTOOGMNV-XNTDXEJSSA-N 446.518 6.437 30 10 IKEE CCCOC(=O)COc1c(OC)cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OC 1874624330 YAHKIRKDDHSEPY-KPKJPENVSA-N 426.509 5.055 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)c(OC)c1 1874632321 BUUMARKHPNOJDF-NTEUORMPSA-N 445.515 5.234 30 10 IKEE C=CCOc1c(OCC)cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc1[N+](=O)[O-] 1874633453 COXPGRKOFVVRDC-BQYQJAHWSA-N 431.872 5.425 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(C(F)(F)F)cc2)c1)c1ccc2ccccc2c1 1874693757 USGUIOJNBSOBED-OVCLIPMQSA-N 446.424 6.974 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc1OC(=O)c1ccccc1 1874708707 QGHYNXVZHZLPGC-SDNWHVSQSA-N 444.527 6.117 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc(-n4cccc4)cc3)c2)c(C)c1 1874716596 ZTODFFLWEGRZTN-NTEUORMPSA-N 435.523 6.518 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)c2ccccc2-c2ccccc2)cc1 1875118010 MJJIGHYKXDKUDA-LVZFUZTISA-N 434.491 6.478 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)Cc1ccc(Cl)cc1 1875120055 ZKTYRBABPKHKHB-UKTHLTGXSA-N 436.891 5.401 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(F)c3)c([N+](=O)[O-])c2)cc1 1875130737 ZZGZDHNKFOHEGF-WUXMJOGZSA-N 435.407 5.248 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3c(C)cccc3C)cc2)ccc1F 1875140989 IACSZMQTZKLUIG-LFIBNONCSA-N 446.518 6.412 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1ccc(F)cc1F 1875144083 DYERPFMJJUNPPN-WEVVVXLNSA-N 438.426 5.406 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2[N+](=O)[O-])c1 1875156643 HDISTXNNXDUDHU-VZUCSPMQSA-N 443.499 6.450 30 10 IKEE Cn1c(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])cc2ccccc21 1875159612 HQSMMOWDFZSLEN-WUXMJOGZSA-N 444.418 5.341 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(F)c3)cc2OC)cc1 1875163610 TYRFSCABSDPKHW-VZUCSPMQSA-N 438.426 5.026 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)c1ccc(C)cc1 1875175999 RFBHLDOQYHQXKR-XYOKQWHBSA-N 434.919 6.389 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1[N+](=O)[O-])c1ccccn1 1875189323 KXJWOLDACDZXEA-XBXARRHUSA-N 443.242 5.412 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc(OC)c1OC(=O)C1CCC1 1875194133 KZLXMFCJSZEYID-PKNBQFBNSA-N 440.923 5.687 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N1CCCC1)n2CCCOC 1875220812 MPNYKEYNQFMEOK-UHFFFAOYSA-N 443.636 5.256 30 10 IKEE C=C(c1ccccc1)[C@@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 1888711904 NRKIIEZFFDQRAI-NAKRPHOHSA-N 449.639 5.237 30 10 IKEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1ccc(SC(F)(F)F)cc1 1891124876 KAYVTFNETSLXFP-UHFFFAOYSA-N 433.373 5.130 30 10 IKEE CC(C)(C)OC(=O)NCC1CCC(C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)CC1 1942878690 UUYLEDXVTQATSH-UHFFFAOYSA-N 435.609 5.533 30 10 IKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)C1(C#N)CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 1950149290 XDKABAMDYLOCDO-WZFBRQLOSA-N 435.609 5.486 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C1(C)C 2013407227 MQHVVUIMSQONJS-HXOBKFHXSA-N 449.979 5.667 30 10 IKEE CCCCC#CCC(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2024413647 OWRKBAIFLUCVIS-UHFFFAOYSA-N 426.601 5.089 30 10 IKEE C=CCC1(C(=O)Cc2ccc(Cl)cc2Br)CN(C(=O)OC(C)(C)C)C1 2028167387 KKHQPDRKJKQVCB-UHFFFAOYSA-N 428.754 5.027 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2cccs2)cc1Cl 2033815706 PFZQFAWPUKUWFQ-HXUWFJFHSA-N 439.920 5.189 30 10 IKEE C#CC[C@@H](C)CC(=O)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2076060889 BYONUOARHVUKSQ-LYZGTLIUSA-N 428.528 5.497 30 10 IKEE CC(C)c1ccc([C@@H](n2nc(C3CC3)c(C#N)c2I)C(C)(C)C)cc1 2079930677 AIKZVHYZKOGQGS-LJQANCHMSA-N 447.364 5.996 30 10 IKEE COc1c2c(nc3c(-c4cc(F)ccc4C(F)(F)F)c(C(F)(F)F)nn13)CCCCC2 2081463606 ZGYVSWHDAMNRGK-UHFFFAOYSA-N 447.354 5.851 30 10 IKEE CCC[C@H](NCc1cn(C)nc1-c1ccc(C#N)cc1)c1ccc(Oc2ccccc2)cc1 2087918702 KZLIENCRFYWBPQ-MHZLTWQESA-N 436.559 6.382 30 10 IKEE CC[C@]1(C)CCSC(=Nc2ccc(Cl)c(I)c2Cl)N1 2093950141 ACQKTNKOHXSDLE-CYBMUJFWSA-N 429.154 5.481 30 10 IKEE CC1(C)OB(c2cc(F)cc(CN(Cc3ccccc3)CC3CCCCC3)c2)OC1(C)C 2095821032 QPEWTOCGFITSDF-UHFFFAOYSA-N 437.408 5.707 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2sc(Br)cc2C)c1 2100766204 YYTPCKXKPGGAIC-OAHLLOKOSA-N 437.359 5.834 30 10 IKEE CC[C@]1(Nc2ccc(C#N)c(Br)c2F)CCCN(C(=O)OC(C)(C)C)C1 2105995971 MWFWEGXKNXBOQK-IBGZPJMESA-N 426.330 5.051 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCOCC12CCCC2 2149666137 FVVPUAFEJYRCTE-NRFANRHFSA-N 435.362 5.434 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(C)cc(Br)c1F 2159124467 HURKSNGWZHNKAA-PKOBYXMFSA-N 441.385 5.244 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(Nc3cccc(Br)c3C#N)CCCCC[C@H]12 2162340942 CWGJPSLRHYNXNQ-RXVVDRJESA-N 434.378 5.445 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1ncoc1C1CCC1 2169513994 GHRIXQYXGUYWCN-MRXNPFEDSA-N 432.318 5.711 30 10 IKEE CCCN(Cc1ccc(Br)cc1C#N)CC(C)(C)CNC(=O)OC(C)(C)C 2174558587 BNNPKRZTRCXHLB-UHFFFAOYSA-N 438.410 5.084 30 10 IKEE CCCN[C@H](C#CP(C)(C)=O)c1cc(Cl)c(NC(=O)OC(C)(C)C)c(Cl)c1 2233747379 CMULUOYGXJSQFD-MRXNPFEDSA-N 433.316 5.965 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)cc(F)cc1Br 2233950756 CXGVIXAETULRLN-AEFFLSMTSA-N 447.364 5.628 30 10 IKEE C=CCCC1([C@@H](O)c2sc(C)c(C)c2Br)CN(C(=O)OC(C)(C)C)C1 2254993690 ILHALZUVSDSXDR-INIZCTEOSA-N 430.408 5.364 30 10 IKEE Cc1cc(C(=O)N(Cc2ccccc2)[C@@H](C)C(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2255874884 ZRNVJALTDOQXQV-SFHVURJKSA-N 441.446 5.433 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cccc(Cl)c1Br 2259408877 UZALSKFQGOUXTC-DOTOQJQBSA-N 431.802 5.613 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2sc(Cl)cc2Br)cc1 2259913932 JGEBSLUMNJEFFO-CQSZACIVSA-N 441.778 6.479 30 10 IKEE CCCN[C@H](C#CC1CCCCC1)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2260981971 QQSFNDZJMBDWKK-GPUOULLFSA-N 442.644 5.437 30 10 IKEE Cc1cc(C(=O)N(Cc2ccccc2)CC2CCCCC2)oc1B1OC(C)(C)C(C)(C)O1 2267522895 XZHJKOQGUWBMCK-UHFFFAOYSA-N 437.389 5.110 30 10 IKEE CCCc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)cc1 2283520729 FUCBVEFIQIIASG-FQEVSTJZSA-N 429.358 6.408 30 10 IKEE Cc1ccc(NC(=S)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 2296405117 NITMVZIVDMQYQS-UHFFFAOYSA-N 429.524 5.307 30 10 IKEE Cc1cccc(CN2c3ccccc3C(=O)C(=CNc3cccc(Cl)c3)S2(=O)=O)c1 2297334948 AVHJOCWMEUDNDD-UHFFFAOYSA-N 438.936 5.135 30 10 IKEE Cc1cccc(CN2c3ccccc3C(=O)C(=CNc3ccc(Cl)cc3)S2(=O)=O)c1 2297334972 SSJORECSOJUPQB-UHFFFAOYSA-N 438.936 5.135 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](C2CCC(C#N)(N(C(=O)OC(C)(C)C)C3CC3)CC2)C1 2307664484 DNHBSDXCXUDRRU-RKDDFOCISA-N 433.593 5.095 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC(=O)c3ccccc3C)cc2)cc(OC)c1OC 2314429546 JNJQSTNNZROVBI-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(-c3ccccc3Cl)o2)SC1=Nc1nc(C)cs1 2314544120 UIAZUMWGEDRCNB-UHFFFAOYSA-N 441.965 6.155 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NC)c1cc(Cl)cc(Br)c1F 2315459086 TZPNKHLTMBKBHC-GDBMZVCRSA-N 435.765 5.362 30 10 IKEE Clc1cccc(CSc2nnc(C3CC3)n2N=Cc2ccc(Cl)c(Cl)c2)c1 2320892113 AYNBPHDMDOGHCY-UHFFFAOYSA-N 437.783 6.290 30 10 IKEE C[C@@H]1[C@@H](C)[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)CCN1C(=O)OC(C)(C)C 2321320093 GLUAJQIQAFQCLC-OJLQRUNKSA-N 447.551 5.495 30 10 IKEE C=Cc1ccc(COc2ccc3c(c2C)OC(=Cc2c(Cl)cccc2Cl)C3=O)cc1 2321869936 FWRMZAINRYLIRJ-UHFFFAOYSA-N 437.322 7.140 30 10 IKEE Cc1ccc(C(=O)C=Cc2c(OCC(=O)Nc3ccc(F)cc3)ccc3ccccc23)cc1 2322591600 NOSOOBCDNCTZOF-UHFFFAOYSA-N 439.486 6.201 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)cc1 2322680080 DZWOZGHNZDTCPM-UHFFFAOYSA-N 426.512 6.436 30 10 IKEE Cc1cccc(NC(=O)COc2ccccc2C=CC(=O)c2cc(C(C)(C)C)ccc2C)c1 2322952856 RDFCZHGPDQSLPH-UHFFFAOYSA-N 441.571 6.515 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccccc1OCC(=O)N[C@H](C)c1ccccc1 2323022200 PVJAPFTVYFBNTH-GOSISDBHSA-N 449.934 5.501 30 10 IKEE C=C(C)COc1c(OC)ccc(C=CC(=O)c2cc(C)ccc2OC)c1Br 2323177082 SQAMDAUUQKMQEX-UHFFFAOYSA-N 431.326 5.626 30 10 IKEE CCc1ccccc1NC(=O)COc1cccc(C=CC(=O)c2ccc(OC)cc2OC)c1 2323283367 AAHJZKLABYHWAQ-UHFFFAOYSA-N 445.515 5.180 30 10 IKEE CCCCCCCCCOc1ccc(C=NS(=O)(=O)c2ccc(C)cc2)cc1OCC 2323446878 SINHKVXBNWCFKT-UHFFFAOYSA-N 445.625 6.331 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)cc(Cl)c1OCc1ccc(F)cc1 2323472748 ZMMZHWBVGVXCFZ-UHFFFAOYSA-N 438.926 6.915 30 10 IKEE CCCCCCCCCOc1ccc(C=Nn2c(S)nnc2CCC)cc1OCC 2323486552 KINQJJOVCUYITI-UHFFFAOYSA-N 432.634 5.930 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OCc3cccc4ccccc34)c(Cl)c2)c1 2323486987 VZTXIOJXCUESDU-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)cc2)cc(OC)c1OCc1ccc(Cl)cc1 2323648011 OKRPXXFSUBMYBM-UHFFFAOYSA-N 448.946 6.561 30 10 IKEE CCCOc1c(Br)cc(C=CC(=O)c2cc(OC)ccc2OC)cc1OC 2324023819 MDSSTGYMVBTMAL-UHFFFAOYSA-N 435.314 5.160 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(OC)c1OCc1cccc(F)c1 2324082630 WENKNGWXIZTBIS-UHFFFAOYSA-N 436.435 5.047 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)c(C)c1C 2324295004 GWWVTSABECURKA-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)c1 2324455748 QAPHGQABURDUQF-QGZVFWFLSA-N 447.918 5.979 30 10 IKEE Cc1cc(OCc2ccc(C#N)cc2)cc2c1C(=O)C(=Cc1ccc(Br)cc1)O2 2324756985 IOYSTORTFJIGRR-UHFFFAOYSA-N 446.300 5.824 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(O[C@H](C)C(=O)Nc3ccc(C#N)cc3)c2C)C1=O 2325306857 CLIBUCRADQZFJN-MRXNPFEDSA-N 444.512 5.259 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccccc2O)c1 2325441594 KPBGQUVFGOBDEK-UHFFFAOYSA-N 428.561 5.252 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1OC(=O)c1ccccc1F 2325701198 ONTXHVUODKTYBP-UHFFFAOYSA-N 430.475 5.828 30 10 IKEE CCOc1ccc(CCC(=O)Oc2cccc(C=CC(=O)c3ccccc3)c2)cc1OC 2325732994 MYKYTOHZAXTFFZ-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCC(=O)Nc4cc(C)ccc4C)cc(C)c3C2=O)c1 2325740859 WFNMRLYPTCPTPY-UHFFFAOYSA-N 427.500 5.554 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2)cc1C 2325760568 IVOIDXVPOHKUAP-UHFFFAOYSA-N 435.863 5.980 30 10 IKEE CSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1N=Cc1ccc(F)cc1F 2325829104 HGDKAXXGRAORIG-UHFFFAOYSA-N 444.551 5.470 30 10 IKEE COc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccc(C)cc2C)cc1 2326460936 XZSKKJLJDXAJPH-UHFFFAOYSA-N 442.588 5.669 30 10 IKEE CCCOc1cc(C=Nn2c(C)nnc2SCc2ccccc2Cl)ccc1OC 2326542331 NIGLTTLCTASPPV-UHFFFAOYSA-N 430.961 5.212 30 10 IKEE CCCCOc1cccc(C=Nn2c(CC)nnc2SCc2c(F)cccc2Cl)c1 2326570173 TUHBWZRCNHFOCV-UHFFFAOYSA-N 446.979 5.986 30 10 IKEE Cn1cccc1C=Nn1c(COc2ccc(Cl)cc2)nnc1SCc1ccccc1 2327557859 JTQPWHUHYIVNBH-UHFFFAOYSA-N 437.956 5.024 30 10 IKEE C=C(C)CSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1ccc([N+](=O)[O-])cc1 2328156068 OTTUFSDTWLPWSL-UHFFFAOYSA-N 441.601 6.201 30 10 IKEE COc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2ccc(F)cc2)cc1 2328386493 DMWWELJKIFRPKM-UHFFFAOYSA-N 448.523 5.179 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccc(C)cc3)n2N=Cc2ccco2)cc1 2328562501 MSBMVPCGTBFQIX-UHFFFAOYSA-N 432.549 5.344 30 10 IKEE C=CCSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1cccc2ccccc12 2328796489 GORKXRAUXOFEOQ-UHFFFAOYSA-N 428.561 5.787 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCCCO)n1N=Cc1c(Cl)cccc1Cl 2330133782 NPPHCBJGVAMUOH-AWEZNQCLSA-N 435.380 5.093 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3[nH]c4ccc(C)cc4c3C)cc2)c1 2330776992 WJXRJNIDOXDXTA-UHFFFAOYSA-N 425.484 5.909 30 10 IKEE CCCSc1nnc(CC(C)(C)C)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2330857222 ASBOIGOZAAGMNR-UHFFFAOYSA-N 436.581 5.470 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3Cl)c(OC)c2)cc1C 2330880160 GGOXWGKVRJFGGC-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)ccc1OC(=O)c1cccc(Cl)c1 2330979533 DQUDQHKLQODPKD-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC(=O)c1cccc(C)c1 2331019355 PHQPANDOUZUCCU-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE Fc1ccc(CSc2nnc(C3CCCC3)n2N=Cc2ccc(Cl)c(Cl)c2)cc1 2331033050 YSCCIBUKOXWSDC-UHFFFAOYSA-N 449.382 6.556 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)COC)c(Cl)c2)cc1OCCC 2331109631 HJLNRWRLRSABGC-UHFFFAOYSA-N 446.927 5.366 30 10 IKEE CCSc1nnc(-c2ccco2)n1N=Cc1cccc(OC)c1OCc1cccc(C)c1 2331193906 DRQMVJSFYUGTPU-UHFFFAOYSA-N 448.548 5.428 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)c(C)c3)cc2)cc1 2331294501 YUAUMDNPOWCIKK-UHFFFAOYSA-N 432.491 5.967 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2C(C)(C)C)cc1 2331360348 XJRRBLUBQHWLCE-UHFFFAOYSA-N 435.641 5.905 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2C(C)(C)C)cc1OC 2331378644 LPIWCYFTJBGVRJ-UHFFFAOYSA-N 438.597 5.466 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccccc1C(=O)O 2331404013 RCRUXYVAFCEEFI-UHFFFAOYSA-N 428.945 5.102 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)c(F)c3)c(Cl)c2)cc1F 2331455929 WYGNNNCFYPKJIY-UHFFFAOYSA-N 446.808 5.881 30 10 IKEE COc1cc(C=Nn2c(CC(C)C)nnc2SCc2ccccc2Cl)ccc1O 2331456354 FHVHUSSYFVMZJD-UHFFFAOYSA-N 430.961 5.019 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccco2)c(Br)c1)c1ccc(F)c(F)c1 2331560256 MIAVEAMLZCSHQI-UHFFFAOYSA-N 433.204 5.436 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)CC2CCCCC2)c(Cl)c1 2331661804 UIBSNZNVOWKJND-UHFFFAOYSA-N 440.967 6.737 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C(C)C)cc1 2331703221 KRIAUOZBOPUPGE-UHFFFAOYSA-N 428.989 6.018 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2ccc(Cl)cc2)nnc1C(C)C 2331706623 CKTBKZRCYWRCHL-UHFFFAOYSA-N 428.989 6.018 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3[nH]c4ccc(C)cc4c3C)cc2)c(C)c1 2331764428 QHVNYMPCOXSBIS-UHFFFAOYSA-N 437.539 6.825 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc(OC)c1OC(=O)C1CC1 2331801349 QYPZDBGZORTBRY-UHFFFAOYSA-N 432.560 6.241 30 10 IKEE COC(=O)c1nc(-c2cccs2)oc1NN=Cc1ccccc1OCc1ccc(C)cc1 2331931546 RHGQLVVROCPTIM-UHFFFAOYSA-N 447.516 5.523 30 10 IKEE CC1(C)OB(C=Cc2ccc(NC[C@]3(C)CCCN3Cc3ccccc3)nc2)OC1(C)C 2339543843 XHNNCEPOTOGLNE-SANMLTNESA-N 433.405 5.193 30 10 IKEE CN(Cc1sc(Cl)cc1Br)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2345944052 OZVUTXKXSBYIFM-UHFFFAOYSA-N 442.615 5.100 30 10 IKEE CC[C@@H](N[C@@H]1CN(Cc2ccccc2)C(C)(C)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363835550 DXTCHXAGBWAASP-LOSJGSFVSA-N 448.460 5.080 30 10 IKEE C=CCC(CC=C)[C@H](NC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2364014549 XZMFFWPTFUSHRR-PMACEKPBSA-N 437.422 5.241 30 10 IKEE C=C(C)[C@@H](CC=C(C)C)Cc1c(O)cc(OC)c(C(=O)/C=C/c2ccc(O)cc2O)c1O 4199940 PIAPWPAWQGDOMN-CKDFRHGISA-N 438.520 5.505 30 10 IKEE biogenic,in-vitro O=[N+]([O-])c1ccccc1S/N=C1\N=C2C=CC(Br)=CN2Cc2ccccc21 8617124 BERAIAPJFXZBLH-QOCHGBHMSA-N 441.310 5.069 30 10 IKEE CCCOC(=O)c1ccc(-c2ccc(/C=N/N(Cc3ccccc3)c3ccccc3)o2)cc1 13880314 NVJLEJJBTQOHOE-ZTKZIYFRSA-N 438.527 6.554 30 10 IKEE CC(C)Oc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(C(F)(F)F)cc2)cc1 21224358 CFLTXRGVFVGTFV-PXNSSMCTSA-N 443.465 5.497 30 10 IKEE C=CCOc1ccccc1/C=C1\SC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O 39860832 AJJZNIQKUAXVHW-YVLHZVERSA-N 439.842 6.165 30 10 IKEE O=C1N/C(=N\N=C\c2ccc(-c3ccc(Cl)cc3)o2)S[C@H]1Cc1cccc(Cl)c1 39888202 QAWBLHZSKNCKKT-OGBFJMLUSA-N 444.343 5.418 30 10 IKEE C=CCOc1ccc([C@H]2c3c(-c4cc(Cl)c(C)cc4O)n[nH]c3C(=O)N2CCC)cc1 39914241 YIAMFPKVUPGFDF-QHCPKHFHSA-N 437.927 5.264 30 10 IKEE Clc1ccc(-c2csc(N/N=C/c3cn(Cc4ccccc4)c4ccccc34)n2)cc1 40570753 YTLJPKUTKQUXQU-MZJWZYIUSA-N 442.975 6.913 30 10 IKEE Cc1cccc(C)c1NC(=O)CSc1ccc(/C=N/c2ccc(-c3ccccc3)cc2)o1 59506456 AVEJPPCRRYHJMF-OGLMXYFKSA-N 440.568 7.045 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2cccc(C(=O)NC[C@H]3CCCO3)c2)cc1 100298361 NXUGTIGPVKSIOX-XMMPIXPASA-N 438.568 5.197 30 10 IKEE O=C1CS/C(=N/N=c2/oc3ccccc3cc2-c2ccc(Cl)cc2)N1c1ccccc1 101300997 ZVNXCPJXAKGXTA-LSBUKLHESA-N 445.931 5.705 30 10 IKEE C/C(=N/n1c(-c2ccccc2F)cs/c1=N\c1cccc(C)c1C)c1ccccc1O 103462873 OGJMBJFQXFUEJO-MZBFBDNOSA-N 431.536 6.183 30 10 IKEE COc1ccc(/C=C/C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(OC)c1 108375463 MXBJLBRFZZUSNO-GXDHUFHOSA-N 428.488 5.001 30 10 IKEE COc1cc([C@@H](C#N)C(=O)c2cc(Br)c(Br)s2)ccc1C 128469603 CUOOZWYORPLESX-SNVBAGLBSA-N 429.133 5.080 30 10 IKEE Cc1ccc(S(=O)(=O)O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5CCC(=O)[C@@]5(C)CC[C@@H]43)C2)cc1 136423753 BMEDGGDZYCTQMO-ZCQFWUSASA-N 442.621 5.601 30 10 IKEE CCCCCCCC/C=C/CCCCCCCCOC(=O)CCCCCCCCC1CC1 145111361 STXOKSQVJZWHCY-MDZDMXLPSA-N 448.776 10.098 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3ccccc3)c(C)s2)cc(Cl)c1OC(C)C 169942682 UALOFDBUOWYQSM-CFRMEGHHSA-N 429.973 6.404 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@H]2c2cccs2)cc1 169986538 FZLQVVLHNKTTIX-NRFANRHFSA-N 437.948 6.055 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccccc1F)c1ccc(Cl)cc1 170072456 DPLDRCMMKLGLKQ-OAQYLSRUSA-N 439.845 5.397 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1cccc(OC)c1 170121239 UPUDUQLEJRBIKY-JOCHJYFZSA-N 449.503 5.219 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccc(O)cc2)ccc1Cl 170131884 GQRIAEIUJAATEY-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2Cc2ccco2)c1 170144018 OZDXQKDWPJLTJI-XMMPIXPASA-N 445.515 5.462 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2cccs2)c1 170153891 DBMFDROYYRTEDZ-HSZRJFAPSA-N 441.508 5.693 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2cccs2)cc1 170156956 HOKCDOHRJRINTB-XMMPIXPASA-N 439.536 6.247 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccn2)cc1C(C)(C)C 170179192 HVEKPZIWPAVRED-HSZRJFAPSA-N 448.563 5.299 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@@H]1c1ccc(Cl)cc1 170236856 YMOMGNLVYCJYDZ-QFIPXVFZSA-N 441.955 5.734 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@H]1c1ccc(F)cc1 170243337 UWSHAUXMEGZPLJ-LJQANCHMSA-N 431.891 5.175 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2OC)[C@@H]1c1c[nH]c2ccccc12 170256123 KTFURSBGTFMMQO-QHCPKHFHSA-N 432.520 5.253 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccco1 170287787 WHHMSFCEJUCDCB-HXUWFJFHSA-N 437.879 5.341 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccc(C)o2)cc1 170305878 IAYXONJWDVSXLO-OAQYLSRUSA-N 439.414 5.048 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1cccc2ccccc12)c1ccncc1 170370561 JMUHWJCZKFNXDM-HSZRJFAPSA-N 440.886 5.671 30 10 IKEE CCCCCCCCCCCCOC(=O)Oc1ccc(OCCCCCCCCC)cc1 205525633 JRIJRZCLRAOPEF-UHFFFAOYSA-N 448.688 9.252 30 10 IKEE CCCCCCCCCCCCCCCCCCNC(=O)c1cccc([N+](=O)[O-])c1O 207612778 SEDBHGJNXVRIAG-UHFFFAOYSA-N 434.621 7.292 30 10 IKEE CCOc1ccc2c(c1)O/C(=C\c1ccc(OC(=O)/C=C\c3ccccc3)c(OC)c1)C2=O 210088784 RAZFZLJHUSYZKE-AUWFHFMFSA-N 442.467 5.329 30 10 IKEE CC(=NN=C1N=C(O)[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)S1)c1ccc(C)cc1 252606312 GQWUGLXVQCFTQL-QGZVFWFLSA-N 448.470 5.195 30 10 IKEE CCc1ccc(N=C2S/C(=C\c3cc(C)ccc3C)C(=O)N2c2ccc(CC)cc2)cc1 252628518 SRZZRVYDVLHOKV-GGNNGZDKSA-N 440.612 7.237 30 10 IKEE COc1ccc(C=Nc2ccc(/C=C/c3ccc(N=Cc4ccc(OC)cc4)cc3)cc2)cc1 254341187 OVYNLEMXCIOVNA-ZIYOAFQXSA-N 446.550 7.375 30 10 IKEE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=NO)C(=NO)C[C@]4(C)[C@@H]3CC[C@]12C 254466851 HVEXIRSOIACQFA-JHLORLFGSA-N 430.677 7.378 30 10 IKEE CCC(C)(C)[C@@H]1CCc2sc3ncnc(NN=C(C)c4ccc([N+](=O)[O-])cc4)c3c2C1 254739669 UNCNVXBRFJEQID-MRXNPFEDSA-N 437.569 5.977 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(OC(C)C)cc2)cc1 526515367 JVGSZBUWZDMGPF-VWLOTQADSA-N 440.499 5.411 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(OC)c(Cl)c2)cc1 526516089 NFBQDJFRGCVQRT-HSZRJFAPSA-N 446.890 5.286 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2sccc2C)c1OC 526607911 ZVJJJDUQIXCRBX-HXUWFJFHSA-N 432.501 5.003 30 10 IKEE Cc1cccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccc(F)cc2)c1 526803403 XRPZXQMFRYTPMV-PKAZHMFMSA-N 430.552 5.685 30 10 IKEE Cc1ccc(CSc2nnc(C)n2/N=C\c2ccc(OC(=O)c3cccs3)cc2)cc1 526804322 NUPPPHCDIJYFFJ-OYKKKHCWSA-N 448.573 5.350 30 10 IKEE CCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1ccc(OC)cc1OC 526805449 GUGFAAUJDKFJHD-MYYYXRDXSA-N 438.597 5.330 30 10 IKEE CCN(CC)c1ccc(/C=N\n2c(C)nnc2SCc2c(Cl)cccc2Cl)cc1 526813757 DFJPAYCZAYYULP-CFRMEGHHSA-N 448.423 5.914 30 10 IKEE CCCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1sccc1C 526814887 LWACIJGKNNHGMC-JJFYIABZSA-N 439.437 6.472 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 698405005 GTPZSOZXOZTUPH-VWLOTQADSA-N 428.532 6.268 30 10 IKEE CCC[C@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)CC1 698483045 SSXNTBXGVKTVEE-HTAPYJJXSA-N 435.406 6.833 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1csc2ccccc12 698497222 LZMWTCMHVLLEHK-SFHVURJKSA-N 443.366 6.670 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2cc(Br)ccc2Cl)cc1 698852838 SNLQYBOBRDFSJW-SFHVURJKSA-N 435.749 6.417 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 698855563 ZYSBUVNANNJYLA-NTKDMRAZSA-N 447.551 5.639 30 10 IKEE CCCCCCCCC[C@H](O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 702385027 RXKKVZPTMZEOOJ-OZXSUGGESA-N 432.649 5.657 30 10 IKEE C=CCC1([C@@H](C[C@H](C)COCc2ccccc2)NCCC)CN(C(=O)OC(C)(C)C)C1 722941745 VXCYHTMCPFZBBA-JTHBVZDNSA-N 430.633 5.411 30 10 IKEE CC(=NNc1nc(SCc2c(C)cc(C)cc2C)n[nH]1)c1ccc(Br)cc1 1084359664 WUWGTFPTACXZMW-UHFFFAOYSA-N 444.402 5.621 30 10 IKEE CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)OC/C=N/OCc1c(F)c(F)c(F)c(F)c1F 1614950095 SBFCERKFEHNPBW-IVTCRSOSSA-N 446.199 5.019 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)SC1=Nc1nc(C)cs1 1772737937 ZCPZATPOACRPEI-HJTUMBPSSA-N 429.954 5.989 30 10 IKEE O=C1/C(=C/C=C/c2ccco2)SC(=Nc2cccc(Cl)c2)N1c1cccc(Cl)c1 1772742886 GTPLHNPPPHNSDI-KCMZECTOSA-N 441.339 6.951 30 10 IKEE O=C1/C(=C/c2ccccc2O)SC(=NN=Cc2ccc(Cl)cc2)N1Cc1ccco1 1772758448 VRFLYLWZSNUSMA-GBUPQRAWSA-N 437.908 5.145 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc(OCC(=O)Nc3cccc(Cl)c3Cl)c2)c1 1860133618 PPQRNMJSIBUWFA-UHFFFAOYSA-N 440.286 5.135 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)CCc1ccc(C)c(C)c1)[C@@H](C)CC 1861094646 DFSUTNQPSXAUFP-LVXARBLLSA-N 430.677 6.024 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2c(F)cccc2Cl)cc1 1862396635 JRXMKOAICFLJJT-OAQYLSRUSA-N 427.903 5.562 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CC2)cc1 1862452083 UIXRHKJYDSWLLN-OAQYLSRUSA-N 425.912 5.260 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(Br)c1 1862452905 MXTIEPUXVYUULC-KZULUSFZSA-N 448.744 5.479 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2ccccc2Cl)cc1 1862476807 OSCSXUGGHRGEJA-NRFANRHFSA-N 437.948 5.531 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccccc2Br)c1 1862496458 KVRORSYPCBAQJL-IBGZPJMESA-N 428.326 5.053 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccccc2Cl)ccc1F 1862503514 YVPHFNRMBSLWMI-NRFANRHFSA-N 445.918 5.181 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2cccc(C)c2)cc1 1862533405 MEEIQYQHAJIQLW-SANMLTNESA-N 439.555 5.953 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccccc1C(=O)O 1862535422 ZEBWSSDSDRBOOM-QFIPXVFZSA-N 435.520 5.106 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2ccccc2Cl)cc1 1862536066 PYBXYXUHXLHHLR-DEOSSOPVSA-N 445.946 5.989 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862539556 YNEZCLMATRBQDY-HOYKHHGWSA-N 435.564 5.805 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 1862616337 QEIMIQUYMCCTEA-LADGPHEKSA-N 447.575 5.304 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCc2cccs2)c1 1862661265 VMEMYKBMYNYYCR-DEOSSOPVSA-N 445.584 6.001 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccc(Cl)c2)[C@H]1c1ccccc1F)c1ccc(F)cc1 1862674610 ZDMCLHOTGSJKSJ-NRFANRHFSA-N 439.845 5.397 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(F)cc1F 1862676049 YYEHHWUYLVBWRI-RCDICMHDSA-N 437.417 5.443 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cccs2)cc1 1862676827 RYFQYBHQRPQQCT-OAQYLSRUSA-N 437.492 5.064 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccccc2F)cc1 1862686933 CYKYRMFVMHWRGM-MWTRTKDXSA-N 431.463 5.174 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2CC(C)C)cc1 1862725984 WLHKLYKDUDENPQ-RUZDIDTESA-N 441.527 5.597 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 1862750941 GHTWZIYQVAUMCE-FQEVSTJZSA-N 440.883 5.159 30 10 IKEE CCCCCCCCNC1=C(c2cccc3ccccc23)C(=O)N(CCCCCO)C1=O 1863582024 BEVHEWLAQQGSBJ-UHFFFAOYSA-N 436.596 5.032 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)c2cc3ccccc3o2)n(-c2ccccc2Cl)n1 1870003544 DCAZBPUTULSELW-UHFFFAOYSA-N 433.899 5.098 30 10 IKEE CCCCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CN1CCC(CO)CC1 1870611961 HBGYCWFTURTUEL-UHFFFAOYSA-N 446.676 5.538 30 10 IKEE C=CCn1cc(OCCCOc2ccc(CC)cc2)c(=O)cc1CNc1ccc(C)cc1C 1870881116 QHXAAWVXZZXNJR-UHFFFAOYSA-N 446.591 5.674 30 10 IKEE CCCCCCCCn1cc(OCCCCCC)c(=O)cc1CNc1cccc(C)c1 1871125330 WBTGOJZETDSOJC-UHFFFAOYSA-N 426.645 7.088 30 10 IKEE CCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(C(C)C)cc1 1871253912 LEHDMRWLAQNBQL-UHFFFAOYSA-N 443.591 6.225 30 10 IKEE CCCCCCCCCCN=c1nc2c(cnn2C)c(Nc2cc(OC)ccc2OC)[nH]1 1871299309 XMRPNCOCZRJJBS-UHFFFAOYSA-N 440.592 5.099 30 10 IKEE O=C1/C(=C/c2c(F)cccc2Cl)Oc2c1ccc1c2CN(CCc2ccccc2)CO1 1871344280 BNDMHRHAMWZMAA-QRVIBDJDSA-N 435.882 5.490 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccco1)C3=O)CN(CCc1c[nH]c3ccccc13)CO2 1871350150 NFICCPVFOJQGAN-FMCGGJTJSA-N 426.472 5.080 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4Cl)ccc3C2=O)cc1 1871373833 HARUJWGUTWTRQZ-JJFYIABZSA-N 449.846 5.646 30 10 IKEE Cc1cc(OC(=O)c2ccc(OCC(C)C)cc2)cc2c1C(=O)/C(=C/c1ccc(F)cc1)O2 1871382939 GWCGBKQHOHLYOY-CFRMEGHHSA-N 446.474 6.004 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OC(=O)C(C)(C)Oc4ccc(Cl)cc4)ccc3C2=O)c1 1871385129 WREPFTKSRKFCDM-UCQKPKSFSA-N 448.902 6.028 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2OC)C3=O)c1 1871388527 AQSQKZGPTDHXKO-JLPGSUDCSA-N 442.467 5.404 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)cc2)C3=O)c1 1871389715 LNNHVNNCQIMBDN-IWIPYMOSSA-N 426.468 5.704 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 1871410537 DFNLOIMXADCWHE-DNPFKWNUSA-N 431.463 5.410 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)c1 1871460551 SNYOVHUEERNALP-AJRXITOCSA-N 425.484 5.493 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 1871755360 UHFQKZBHMKMIMT-JOCHJYFZSA-N 449.016 5.269 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 1871763298 YLHBXSNDLDAZRI-HSZRJFAPSA-N 428.598 5.068 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)CC 1871845491 BYXAANBINWWWAL-QHCPKHFHSA-N 444.597 5.060 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(-c2ccccc2C)cc1)c1ccccc1)S(C)(=O)=O 1872216192 VCAUGQJTDZUZSN-RUZDIDTESA-N 448.588 5.180 30 10 IKEE C=CCN([C@H](C(=O)Nc1cccc(Cl)c1)[C@@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872249616 XTHAIOGNNXIMEG-JTSKRJEESA-N 449.016 5.187 30 10 IKEE CCc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872762830 XPJRUUBPEYDUFD-INIZCTEOSA-N 431.344 5.935 30 10 IKEE N#C[C@@H](C(=O)c1ccc(F)c(F)c1F)c1nc(-c2cccc(Br)c2)cs1 1872763413 LJPVFQKLUBWMML-LBPRGKRZSA-N 437.240 5.480 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(Cl)ccc3Cl)n2)cc1 1872765896 ZCUVTBQGGYKUCX-GOSISDBHSA-N 429.372 6.950 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)c2ccc([N+](=O)[O-])cc2)n1 1872777355 LPSSAZXLINWYHL-GOSISDBHSA-N 435.505 5.514 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)CCOc2ccccc2)n1 1872777895 YXHBQLYMWRKOKY-FQEVSTJZSA-N 434.561 5.762 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCOC)=C(c2c(Cl)cccc2Cl)C1=O 1873092330 FJZYQWOJGQXRMR-UHFFFAOYSA-N 441.399 5.060 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(CC)cc2)=C(c2cc(F)cc(F)c2)C1=O 1873318039 HNBXGUPRLCMJTE-UHFFFAOYSA-N 440.534 6.080 30 10 IKEE CCCSc1nnc(CCc2ccc(OC)cc2)n1/N=C/c1ccccc1OC(C)C 1874307923 WTXADDPWDOZKRC-KOEQRZSOSA-N 438.597 5.243 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccccn2)cc1C 1874320606 ZYCOQAHEZLFJFL-CVKSISIWSA-N 429.549 5.043 30 10 IKEE Cc1ccccc1CSc1nnc(COc2cccc(C)c2C)n1/N=C/c1ccco1 1874322102 ZTJLIOHEZBJLBX-AFUMVMLFSA-N 432.549 5.550 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874379739 JOIONUTYQTUHOQ-RPPGKUMJSA-N 434.462 5.577 30 10 IKEE Fc1ccc(Cc2nnc(SCc3c(F)cccc3Cl)n2/N=C/c2ccc[nH]2)cc1 1874382314 JDBJWLGDFUSGKO-RPPGKUMJSA-N 443.910 5.303 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2[C@@H](C)c2ccccc2)cc1 1874391443 HHPRKJJKYHHQSJ-PWIYWSIBSA-N 440.616 6.475 30 10 IKEE COc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2cccc(C)c2)cc1 1874406596 NOPJLGKRQBWSKM-YZSQISJMSA-N 434.609 5.892 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2-c2cccs2)cc1 1874421414 LFPJLDKXCODAQR-ZVHZXABRSA-N 438.553 5.719 30 10 IKEE COc1cccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2-c2cccs2)c1 1874422568 SXZBUHCWPBETIM-ZVHZXABRSA-N 434.590 5.807 30 10 IKEE Cn1cccc1/C=N/n1c(SCc2c(F)cccc2Cl)nnc1-c1ccccc1 1874429768 ANFPWMGNVRXLCE-ZMOGYAJESA-N 425.920 5.251 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2[C@H]2CCCO2)cc1 1874450486 CKDRYESPGUXVAC-TYLRVVQJSA-N 449.363 5.317 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(-c2ccco2)n1/N=C/c1ccncc1 1874468121 SJVKTNWQPKYBJG-FOKLQQMPSA-N 430.320 5.414 30 10 IKEE Oc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2-c2ccco2)c1 1874468798 YBNAKSIRWHLIMH-FOKLQQMPSA-N 445.331 5.725 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C(C)(C)C)c(OC)c1 1874485295 NPGIYSJNMXMZAA-ZMOGYAJESA-N 444.988 5.421 30 10 IKEE CC(C)Cc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874489298 KOSMRFQJMRFGBN-FOKLQQMPSA-N 447.923 5.352 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2ccc(Cl)cc2)c1 1874494306 VLKMPAFDLYERRG-ZMOGYAJESA-N 439.972 5.120 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2c(Cl)cccc2Cl)nnc1C1CCC1 1874496474 OHCQYVMLVOSLSG-WYMPLXKRSA-N 431.392 6.335 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SCC(=O)OCCC)nnc2C2CCC2)cc1 1874499062 WTKHKZBOPDASFU-LFVJCYFKSA-N 444.601 5.042 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C)n2/N=C/c2ccc(OCc3ccccc3)cc2)c1 1874531366 FYFBXHBVWLIDFG-JVWAILMASA-N 442.588 5.957 30 10 IKEE COc1cccc(/C=N/n2c(S)nnc2C2CC2)c1OCc1c(Cl)cccc1Cl 1874558618 OKVXDIPASJPVLE-AUEPDCJTSA-N 449.363 5.221 30 10 IKEE COc1cccc(C(=O)/C=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)c1 1874572272 FDJKASGPZULAMI-CCEZHUSRSA-N 439.467 6.232 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1cccc2ccccc12)c1ccc(Cl)cc1 1874578651 ZMINLGQIWTWGLR-GXDHUFHOSA-N 433.334 7.622 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)c1 1874580488 PXXPMYZTEPZZRV-RMKNXTFCSA-N 445.773 7.739 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2cc(C)ccc2C)c1OCc1cc(C)ccc1C 1874580500 QPOUWBNEKCCGLX-ZHACJKMWSA-N 434.963 7.057 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccccc2Cl)c(C)c1C 1874586621 WIKVJZAYPQBXJB-DHZHZOJOSA-N 441.354 7.094 30 10 IKEE O=C(COc1cccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1)Nc1nccs1 1874601114 VCJRZXIOKCKTNY-QPJJXVBHSA-N 433.316 5.364 30 10 IKEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1Cl 1874603803 GJWQFYZEWGMWMO-UKTHLTGXSA-N 425.956 5.362 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(OC)c1OCc1cccc(Cl)c1 1874609115 YJVZYGXYSDJHOL-ZHACJKMWSA-N 443.326 6.486 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1cccc(C)c1 1874610270 JYDUVMQBUZQATD-NTEUORMPSA-N 443.499 6.115 30 10 IKEE C=CCOc1c(Br)cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1OCC 1874620978 DGSFIEQOJMZMPD-FNORWQNLSA-N 431.282 5.037 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Cl)c1OCc1ccc(F)cc1 1874626332 ZCUUJGQXWNHTDE-RUDMXATFSA-N 432.825 6.241 30 10 IKEE CCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1C 1874689692 YNOZDKDVWIUOOY-VWLOTQADSA-N 433.596 5.893 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCCOc3ccccc3Cl)c2)cc1 1874694707 QCJLEBOIBGKILY-SAPNQHFASA-N 448.946 6.563 30 10 IKEE CCCC(=O)Oc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)c(Br)cc1OC 1874696014 DQSRANHQVBWZTH-VQHVLOKHSA-N 447.325 5.376 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cccc(OC(=O)CCCOc2ccccc2C)c1 1874698941 VTRTXHJQEMLHKP-WUKNDPDISA-N 430.500 5.664 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2cccc(OC(=O)C34CC5CC(CC(C5)C3)C4)c2)cc1 1874705854 CZJGECSMMVJQJT-KPKJPENVSA-N 442.599 7.002 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2cccs2)CSc2nnc(C3CCCC3)n21 1874929364 IPAHWYPXKUROQJ-SFHVURJKSA-N 432.659 6.059 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 1875101668 VWAJBSJSLWWFOR-ACCUITESSA-N 447.443 5.117 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)c(C)c3)c(OC)c2)cc1C 1875109037 SNTNYOCMNYNVKF-UXBLZVDNSA-N 448.490 5.504 30 10 IKEE Cn1c(C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2[N+](=O)[O-])cc2ccccc21 1875127317 YPPMCYFYVKOGGF-ACCUITESSA-N 426.428 5.202 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3)c(OC)c2)cc1 1875131101 IBLLNJRPWIYCDO-CXUHLZMHSA-N 430.500 5.528 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)cc3)c(OC)c2)cc1 1875131331 RPGPDABZSALYLZ-LNKIKWGQSA-N 436.891 5.863 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3ccccc3)c(Cl)c2)c(C)c1 1875131859 RLDYWPJPSWXMBI-SDNWHVSQSA-N 448.946 6.618 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cnccn2)c(Cl)c1)c1ccc(Cl)c(Cl)c1 1875135190 FBBAVMKZNUAMIR-ORCRQEGFSA-N 433.678 5.552 30 10 IKEE O=C(Cc1ccccc1Cl)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1 1875146999 NMFQQMKDUCTSMQ-YRNVUSSQSA-N 434.875 5.155 30 10 IKEE O=C(Cc1ccccc1Cl)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 1875158168 IYKLIRWTVYIZNO-VZUCSPMQSA-N 439.826 5.432 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2c(F)cccc2Cl)cc1 1875169356 JBEKLNQKEPZANE-FMIVXFBMSA-N 438.882 6.220 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OCC)cc2OCC)cc(OC)c1OC(=O)CC 1875179486 MDDSDYJNAWUBTG-SDNWHVSQSA-N 438.520 5.433 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1ccccc1F 1875183554 HNHLYBDSVMAPRU-ZRDIBKRKSA-N 432.491 6.265 30 10 IKEE C=C1C[C@@H]1C[C@@H](NCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875650361 GYNQNWONMXULSM-WWPJHQMMSA-N 443.587 5.822 30 10 IKEE O=C(Nc1ccc(SC(F)(F)F)cc1)c1cccc(C(F)(F)F)c1C(F)(F)F 1889870766 VVQJTILNHUHJDK-UHFFFAOYSA-N 433.295 6.588 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)Nc3cccc(Br)c3)ccc21 1891126890 MADUXQAUMOOBGG-UHFFFAOYSA-N 444.329 5.031 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCCC)c2c(C)sc(C)c2Br)C1 1892696156 XNGIQYHGSHSUTB-KRWDZBQOSA-N 443.451 5.782 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)[C@H]2CC[C@H]21 1907788674 JIPKNHZADXKOEZ-YZZKKUAISA-N 447.601 5.167 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1943910932 JCLDQPNMUQGART-FDDCHVKYSA-N 449.979 5.811 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1[C@@](C#N)(N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1)C2 1950075844 SHTKZUMJXQWOTR-TUVUNVSASA-N 447.963 5.373 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@H](NC(=O)OC(C)(C)C)C2(C)C)cc1 2013403159 AALMOTSKPWMXDG-MHECFPHRSA-N 429.561 5.322 30 10 IKEE CCOC(=O)c1ccc(-c2ccc(C=CC(=O)c3ccc(Br)cc3)o2)cc1 2053497026 UABRPSONZAGZLU-UHFFFAOYSA-N 425.278 5.782 30 10 IKEE CC(C)N[C@]1(C#N)CCC[C@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)[C@H]1C 2055575306 YIOMTCKGFVPZKK-KGPYPHOUSA-N 432.656 5.070 30 10 IKEE CC(C)(C)c1nn([C@@H](c2ccc(C(F)(F)F)cc2)C2(C)CC2)c(Br)c1C#N 2079895653 WVQAPUNVQUUIDN-INIZCTEOSA-N 440.307 6.223 30 10 IKEE CCCc1ccc([C@H](n2nc(CC)c(C#N)c2I)C(C)(C)C)cc1 2080006983 SOQVBFWTRGJTEU-SFHVURJKSA-N 435.353 5.510 30 10 IKEE CCCOc1ccc([C@@H](CC)n2nc(C(F)(F)F)c(C=NO)c2Br)cc1 2080089514 XARHSFNUNLOVAL-CQSZACIVSA-N 434.256 5.261 30 10 IKEE COc1c2c(nc3c(-c4ccc(C(F)(F)F)c(F)n4)c(C(F)(F)F)nn13)CCCCC2 2081274619 VLTQEVLLWWSEPB-UHFFFAOYSA-N 448.342 5.246 30 10 IKEE C=CCCCCCCCCCC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2086262086 RXVLGAVIUSCCIK-WIOPSUGQSA-N 445.644 6.751 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@H](C(C)C)N(Cc3ccccc3)C2)c1 2090226609 JGZYBOUYTGXKDS-SHQCIBLASA-N 449.595 5.630 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCCCCC1(F)F 2096454295 XROCXURPCGDPKL-SFHVURJKSA-N 429.305 6.052 30 10 IKEE CC(C)[C@H](C)[C@H](CNc1cc(Br)c(C#N)cc1F)NC(=O)OC(C)(C)C 2106007077 RIFUGHPPAXDFLY-SJCJKPOMSA-N 428.346 5.057 30 10 IKEE CN(Cc1ccccc1CNc1cc(Br)cc(C#N)c1)C(=O)OC(C)(C)C 2162379507 KZBIEJWJLYWORQ-UHFFFAOYSA-N 430.346 5.300 30 10 IKEE C=CC1(C[C@H](NCCC)c2ccc(I)c(Br)c2)CCC1 2168029653 XXABOPIGSILJAJ-INIZCTEOSA-N 448.186 5.841 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCC)c2c(F)ccc(Br)c2F)C1 2183006239 IXMMWAYWNRDWPH-QGZVFWFLSA-N 445.348 5.239 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@H](C)CN(C(=O)OC(C)(C)C)[C@@H]2C)c1 2220389255 DMVXTSKKLMSVQF-CEYNDMKZSA-N 443.588 5.664 30 10 IKEE CC(C)(C)OC(=O)NC1(CC[C@@H](N)C#Cc2ccccc2Br)CCCCC1 2235745269 BOTRRPXIUOPAJO-SFHVURJKSA-N 435.406 5.136 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)CCCN(CC)C(=O)OC(C)(C)C 2235747312 OWQFEPRYQRZMII-IBGZPJMESA-N 437.422 5.206 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Oc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)ccc1Cl 2254635862 PZOAHCZSPHFYJL-UHFFFAOYSA-N 446.740 5.174 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCCN(C(=O)OC(C)(C)C)CC1 2259680513 DJCFAXKBZROESK-RUZDIDTESA-N 443.588 5.810 30 10 IKEE CC1(C)OB(c2csc(C(=O)Nc3cc(Cl)c(Cl)cc3Cl)c2)OC1(C)C 2281972445 NCKRENYPKRJQDP-UHFFFAOYSA-N 432.565 5.260 30 10 IKEE CC(C)(C)OC(=O)N1Cc2ccc(CNc3c(Br)cccc3C#N)cc2C1 2285180184 CNLCMDLFKDBLPY-UHFFFAOYSA-N 428.330 5.184 30 10 IKEE Cc1cc(Cl)cc([C@H](N)C#Cc2ccc(Br)cc2)c1NC(=O)OC(C)(C)C 2296307632 WYJXZDDJRZHLEJ-GOSISDBHSA-N 449.776 5.809 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)N(c3ccccc3)c3ccccc3)ccc2C1=O 2296591505 UOAIKUXVCOWSMO-UHFFFAOYSA-N 447.490 6.948 30 10 IKEE O=C1C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)Sc2ccccc21 2296673571 WYCSGKOENFHISE-UHFFFAOYSA-N 428.263 5.947 30 10 IKEE Oc1ccccc1C=N[C@@H]1c2ccccc2O[C@@]2(N=Cc3ccccc3O)CCCC[C@@H]12 2296680744 PPJFANUQDXSZTQ-FDJWOJMMSA-N 426.516 5.656 30 10 IKEE Cc1nc(N2C(=O)C(=O)C(=C(O)c3cccs3)[C@@H]2c2ccc(C(C)C)cc2)sc1C 2296926903 CAGWHKOMOXFQJN-IBGZPJMESA-N 438.574 5.571 30 10 IKEE CCOc1ccc(C=C2CCC(=Cc3ccc(OCC)c(OCC)c3)C2=O)cc1OCC 2297333998 SBYXGUHVARNWRU-UHFFFAOYSA-N 436.548 6.111 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)C1(NC(=O)OC(C)(C)C)CCCC1 2302600184 BXHHNMFSWXMLIZ-LJQANCHMSA-N 429.561 5.466 30 10 IKEE Cc1ccc(C=C2SC(=Nc3nc(-c4ccccc4)cs3)N(C3CCCCC3)C2=O)o1 2314543591 IBVFYBAEUKYJCJ-UHFFFAOYSA-N 449.601 6.648 30 10 IKEE CCCN[C@@H](C#Cc1ccc(C(F)F)nc1)CN(Cc1ccccc1)C(=O)OC(C)(C)C 2317959319 ILXMAYOSHHAMJZ-NRFANRHFSA-N 443.538 5.176 30 10 IKEE C=C(C)CSc1nnc(C2CC2)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2320850070 LSDXAFVMAPBUCS-UHFFFAOYSA-N 438.984 5.938 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C)NCCC 2321066400 ANKYZDWCVLMRBA-TZRRMPRUSA-N 444.660 5.847 30 10 IKEE Cc1ccccc1CSc1nnc(C)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2321086489 QSQDZZMIPUBGLZ-UHFFFAOYSA-N 442.544 5.289 30 10 IKEE O=C1C(=Cc2ccccc2)Oc2c1ccc1c2CN(C(c2ccccc2)c2ccccc2)CO1 2322164894 UZPOPDYYKIOXQY-UHFFFAOYSA-N 445.518 6.244 30 10 IKEE Cc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(C12CC4CC(CC(C4)C1)C2)C3 2322238675 KNERSGIRIUORFI-UHFFFAOYSA-N 441.571 6.040 30 10 IKEE Cc1cc(OC(=O)c2ccc(F)cc2)cc2c1C(=O)C(=Cc1c(F)cccc1Cl)O2 2322781891 SALWLZKINWOFAD-UHFFFAOYSA-N 426.802 5.762 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Br)ccc2OCC(=O)OCC(C)C)cc1C 2322884757 MSUTYPILTYGBOT-UHFFFAOYSA-N 445.353 5.540 30 10 IKEE Cc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc2c1C(=O)C(=Cc1ccccc1)O2 2323302528 RWIGCFLMMNISCL-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE CCCN(CCC)C(=O)COc1cccc(C=CC(=O)c2cc(Cl)ccc2OC)c1 2323332214 JHDLGKWMJUVYPO-UHFFFAOYSA-N 429.944 5.272 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc(C)c3C2=O)c1 2323701871 CMNFSNCZRKVIAO-UHFFFAOYSA-N 449.846 5.700 30 10 IKEE CCCCC(=O)Oc1ccc2c(c1)OC(=Cc1cc(Br)ccc1OC)C2=O 2323740131 WJUWSDIYYVVNNV-UHFFFAOYSA-N 431.282 5.170 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)c(OC)c1 2323767895 JXDKBVIZZUFYCL-UHFFFAOYSA-N 436.847 5.193 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Br)c1OCc1ccccc1C 2323813565 APAOCOCRSSWFRS-UHFFFAOYSA-N 437.333 6.241 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(OC)c1OCc1ccc(C)cc1 2324084493 NQVIMVQKASEBKM-UHFFFAOYSA-N 432.472 5.216 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3F)c([N+](=O)[O-])c2)c(C)c1C 2324305242 LQJODYWDBQDBCT-UHFFFAOYSA-N 435.451 5.834 30 10 IKEE CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O 2324325098 HJYJVOHFKCDYPE-INIZCTEOSA-N 447.462 5.247 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2cccc(C)c2)C3=O)cc1 2324452405 GYKWPKZENHTEGD-SFHVURJKSA-N 443.499 5.334 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)c(OC)c1 2324464995 IQCHKHJUBLOYAQ-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE CCOc1ccc(C=C(C(=O)[C@H](C#N)c2nc(C(C)(C)C)cs2)c2ccccc2)cc1 2324515845 RPHNHPOPSFMRNS-QFIPXVFZSA-N 430.573 6.256 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)C=Cc2ccc(F)cc2)n1 2324677021 FRHZSUCKKRYYBA-FQEVSTJZSA-N 434.536 6.145 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OCC(=O)N[C@H](C)c3ccccc3)cc(C)c2C1=O 2325020251 PEFRXHVDAAFUSR-QGZVFWFLSA-N 433.529 5.237 30 10 IKEE CN(C)c1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccccc2)cc1 2325448759 RXFSSVOUJLSSNT-UHFFFAOYSA-N 441.604 5.304 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4c(F)cccc4F)ccc3C2=O)cc1 2325509598 YTPLBZOTZXVOQR-UHFFFAOYSA-N 435.426 5.161 30 10 IKEE CC(C)c1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(F)cc4)ccc3C2=O)cc1 2325727597 BRNNFLPJPLFRPR-UHFFFAOYSA-N 431.463 5.583 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4cccc(C)c4C)c3C)C2=O)cc1 2325738225 XIZBVQRIFCISHX-UHFFFAOYSA-N 427.500 5.554 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccccc3OC)c2)cc1 2325739269 UZNVVUFHKKZOFG-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1OC(=O)CC1CCCCC1 2325756357 CMVSWYIGNPEMSI-UHFFFAOYSA-N 434.576 6.701 30 10 IKEE C=CCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1N=Cc1cccn1C 2325813555 AQYNRWGFLITGQU-UHFFFAOYSA-N 444.004 5.059 30 10 IKEE CCCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1cccc(C)c1 2326020536 CQPOGJZHWDFPGH-UHFFFAOYSA-N 428.989 5.636 30 10 IKEE Cc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(OC(C)C)c(Cl)c1 2326545775 CBQXWDBKLKIFBZ-UHFFFAOYSA-N 435.380 5.855 30 10 IKEE CCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1ccc(OC(C)C)c(OC)c1 2326677566 FZLGIYOGQNMLPY-UHFFFAOYSA-N 449.580 5.073 30 10 IKEE Cc1cccc(OCCCc2nnc(SCc3ccccc3)n2N=Cc2cccn2C)c1 2327008614 XEZCTSDEWRBIEX-UHFFFAOYSA-N 445.592 5.111 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2Cl)n1N=Cc1cc(C)ccc1O 2327649376 XYUOVHFKKIFQMF-UHFFFAOYSA-N 428.945 5.075 30 10 IKEE CCCCC1CCC(c2nnc(SCC)n2N=Cc2ccc(O)c(OCC)c2)CC1 2328150956 NESDPRYLMOZERH-UHFFFAOYSA-N 430.618 5.841 30 10 IKEE Cc1ccc(OCc2nnc(SCc3cccc(F)c3)n2N=Cc2ccco2)c(C)c1 2328888154 YQYYYDLCBWPQEJ-UHFFFAOYSA-N 436.512 5.381 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(F)c3)n2N=Cc2cccn2C)cc1C 2329406479 RBLWQLSIZDKDGW-UHFFFAOYSA-N 433.556 5.138 30 10 IKEE C=CCSc1nnc(CCc2ccccc2C)n1N=Cc1c(OC)ccc2ccccc12 2329500484 MGUIPRHIAPWNSW-UHFFFAOYSA-N 442.588 5.694 30 10 IKEE CCCSc1nnc(CCc2ccccc2C)n1N=Cc1cccc(OC)c1OCC 2329500784 KRPOOACYHCFNAI-UHFFFAOYSA-N 438.597 5.163 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2cccc(F)c2)cc1 2330002223 VNVVTNMXRMSIKJ-UHFFFAOYSA-N 430.552 5.533 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)C=Cc1ccc(OC)cc1 2330120480 FBYYVAOCLYOFTG-HSZRJFAPSA-N 448.673 5.203 30 10 IKEE Cn1cccc1C=Nn1c(CCc2ccccc2)nnc1SCc1ccc(Cl)cc1 2330209650 AXKICEPTTOTVHN-UHFFFAOYSA-N 435.984 5.230 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCSC)NC(=O)C=Cc1ccc(C)cc1 2330306717 RHDUFPYCXXNRDR-QHCPKHFHSA-N 432.674 5.503 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C=Cc1ccc(C)cc1 2330317818 ZPYADQLSYFXIGT-MHZLTWQESA-N 448.651 5.993 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)CCc3ccccc3)c(OC)c2)cc1 2330738634 RGWDOLQAPZPLBT-UHFFFAOYSA-N 448.946 6.345 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)(C)C)n2N=Cc2ccc(C(C)(C)C)cc2)c1 2330849436 LGYKBXONXRPXPG-UHFFFAOYSA-N 448.680 6.956 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 2330979572 DDMBTAOTBAHJAC-UHFFFAOYSA-N 447.443 5.117 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1)c1ccc(Br)cc1 2331084439 ZTAXESNSHZFIPQ-UHFFFAOYSA-N 443.243 5.843 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)c3ccc(N(C)C)cc3)c([N+](=O)[O-])c2)ccc1F 2331339926 JYVOCAGSGZFEKW-UHFFFAOYSA-N 448.450 5.224 30 10 IKEE Cc1ccc(CSc2nnc(C(C)(C)C)n2N=Cc2ccc(Cl)c(Cl)c2)cc1 2331360278 RWDQFEZQMSEWNF-UHFFFAOYSA-N 433.408 6.365 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC(=O)[C@H](C)c1ccccc1 2331373220 NQXUISSYCWEOEX-HXUWFJFHSA-N 444.527 6.008 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CCC2)c(OC)c1 2331525539 AVIXTLVEQDJEFF-UHFFFAOYSA-N 442.972 5.391 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])cc1 2331529260 SKLVFAMAOCPTRZ-UHFFFAOYSA-N 447.462 6.147 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(C)c3C)cc2)c1 2331612095 DUKMTRSGRNESOR-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)cc2Cl)cc1 2331645691 FMUCJEGXSRHEHJ-UHFFFAOYSA-N 448.946 6.698 30 10 IKEE Cc1ccccc1CSc1nnc(C(C)C)n1N=Cc1cc(Br)ccc1F 2331676054 YRPSBFFTVMNYEG-UHFFFAOYSA-N 447.377 5.786 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(C(F)(F)F)cc1 2331706683 LAHJDCXJXODZGD-UHFFFAOYSA-N 438.906 6.248 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)c(C)c3)c([N+](=O)[O-])c2)c(C)c1 2331769694 AFQOYJQYHDNVCM-UHFFFAOYSA-N 443.499 6.252 30 10 IKEE C=CC[C@H](CN[C@H](C)CC)Cc1ccc(I)c(Br)c1 2349918007 SZCGCWJTNLLXOR-OCCSQVGLSA-N 436.175 5.177 30 10 IKEE CCCN[C@@H](C#C[C@H]1CC1(C)C)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2365095389 FJXYZUAAXMVWCQ-WMZOPIPTSA-N 435.406 5.886 30 10 IKEE CCCC1CCC(C#N)(Cc2ccc(I)c(Br)c2)CC1 2377397109 PTXIQYGCHJENLE-UHFFFAOYSA-N 446.170 6.096 30 10 IKEE CCCCCOc1ccc(C(=O)Nc2sc3c(c2C#N)CC(C)(C)NC3(C)C)cc1 6273404 QKNRGEDUXOBLRC-UHFFFAOYSA-N 425.598 5.600 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)(O)O 8218899 GTPATKZCXDKGQS-UHFFFAOYSA-N 436.526 5.470 30 10 IKEE endogenous,in-man Cc1cccc(/N=C2\S/C(=C/C=C/c3ccco3)C(=O)N2c2cccc(C)c2C)c1C 27230325 ZSSOKLHEPSQENH-GETMHPBKSA-N 428.557 6.878 30 10 IKEE CN(C)c1ccc(/C=C\C(=O)c2ccc3c(=O)n4c5ccccc5nc4c4cccc2c34)cc1 34888813 SVAOKHZJZDJQKS-ATVHPVEESA-N 443.506 5.554 30 10 IKEE CCOc1ccc(/C=C\C(=O)c2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1 34954326 HRYGIUKPISTDSV-CHHVJCJISA-N 432.472 5.218 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1cccc2ccccc12 40085496 DOAIMQMSSSNAQD-DEOSSOPVSA-N 429.516 5.535 30 10 IKEE Cc1c(OC(=O)Cc2cccs2)ccc2c1O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 41354526 SISACJDIBNYRFG-HMAPJEAMSA-N 432.541 6.118 30 10 IKEE Cc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(I)cc1 59426336 DKFXMEFSOQGJLG-CIAFOILYSA-N 445.260 5.358 30 10 IKEE C/C(CC(C)C)=N\Nc1nc(SCC(=O)N(C2CCCCC2)C2CCCCC2)n[nH]1 59892423 JGTLHGBSSIZYDP-JJIBRWJFSA-N 434.654 5.225 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(O)c(O)c2)S/C1=N/c1nc(-c2ccccc2)cs1 101130465 LXXBPNLEGDKFSP-QLIPUSLZSA-N 435.530 5.011 30 10 IKEE CCCCCCCCCCCCn1c(CCNC(=O)Cc2ccccc2)nc2ccccc21 102142694 ZHCFUCCCSORUQM-UHFFFAOYSA-N 447.667 6.859 30 10 IKEE CC(C)(C)c1cc(/C=N\n2c(S)nnc2COc2ccccc2)cc(C(C)(C)C)c1O 169914236 WSWADORIRAHMNJ-QFEZKATASA-N 438.597 5.329 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccc(OC)c2)c1 169934492 QXCKDBDFQSNYQY-XMMPIXPASA-N 443.499 5.185 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1c1cccc(F)c1 169940077 JPHXYLWGTKNHBO-NRFANRHFSA-N 437.854 5.271 30 10 IKEE CC(C)Oc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccccc2)cc1 170053707 MRHMNETZVLORAK-HSZRJFAPSA-N 447.918 5.910 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2c[nH]c3ccccc23)c1 170074363 XYDSWNBLCXOSGQ-RUZDIDTESA-N 436.511 5.876 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2cccc(O)c2)c1 170081368 BUOWIJUOSVWHII-JOCHJYFZSA-N 449.890 5.227 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1C1CCCCC1 170123724 POYIFVGTMSHQML-VWLOTQADSA-N 445.559 5.485 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@H]1c1ccccc1OC 170125143 BWLYXQMNTMOEIF-HSZRJFAPSA-N 437.536 5.206 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4)[C@H]3c3cccc(C)c3)oc12 170141855 UATZTKNZEZSUKF-QHCPKHFHSA-N 439.467 5.533 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccs2)c1 170166481 VBJDYMSOHYRUPV-LJQANCHMSA-N 431.941 5.321 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@H]2c2ccncc2)c1 170200900 VCBJKWOYCOVVEJ-XMMPIXPASA-N 442.515 5.269 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccc(F)cc2)c1 170238948 JPBCHTUQIOIZKH-XMMPIXPASA-N 445.490 5.704 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccc2F)cc1 170247924 XIOFUYAGRSKGOQ-QHCPKHFHSA-N 449.453 5.535 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccco1)c1ccc(Cl)c(Cl)c1 170282347 PSKHZPMNPOZJFA-GOSISDBHSA-N 432.234 5.508 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)c(OC)cc3C)[C@@H]2c2ccco2)cc1 170285452 QJRABXFTVGWWMR-QHCPKHFHSA-N 447.487 5.087 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@H]2c2ccc(C)o2)cc1 170300754 OCFAYIZXULDJRT-DEOSSOPVSA-N 445.515 5.722 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCO3)=C(O)C(=O)N1C1CCCCC1 170317633 KECBONNUMYXLEZ-NRFANRHFSA-N 437.561 5.293 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1sccc1C 170318806 VDAUJHJUWMTCMD-FQEVSTJZSA-N 427.566 5.531 30 10 IKEE C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCC)c1 170324406 FFIJFFOROZNLHU-QHCPKHFHSA-N 435.520 5.027 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cccc(Cl)c2)c1 170365398 OLISCNSXVBZGBG-HXUWFJFHSA-N 439.920 5.583 30 10 IKEE CCN(CC)c1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2ccc(N(C)C)cc2)cc1 170443432 LYKCKNVSPWICJM-QHCPKHFHSA-N 449.595 5.114 30 10 IKEE CN(C)c1ccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1 170444841 MCQNHEAJLRHMGV-IBGZPJMESA-N 446.469 5.287 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 170462634 ZPJXIZSHBFNUHQ-GOSISDBHSA-N 426.925 5.383 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc(OCc3ccccc3)cc2)[C@H]1c1cccs1 170476151 PGLGKFCEUGXQRT-QFIPXVFZSA-N 447.556 5.842 30 10 IKEE CCCCCCCCCCB(CCCCCCCCCC)CCCCCCCCCC 195967898 GLVXGILPFYMKSS-UHFFFAOYSA-N 434.646 11.903 30 10 IKEE Cc1cccc(OCCOc2ccc([N+](=O)[O-])cc2C=NNc2nc3ccccc3s2)c1 254342343 ICYVYXZPHUTFGZ-UHFFFAOYSA-N 448.504 5.417 30 10 IKEE COCCN=c1scc(-c2ccc(Cl)s2)n1N=Cc1c(O)ccc2ccccc12 254396935 IOMSIJCDWJCHMS-UHFFFAOYSA-N 443.981 5.220 30 10 IKEE CCn1c(=O)c(C(C)=Nc2ccc(N=Nc3ccccc3)c(C)c2C)c(O)c2ccccc21 254741659 GEZLFVYKPYVREM-UHFFFAOYSA-N 438.531 6.900 30 10 IKEE CC(CCC(c1ccc(C)o1)c1ccc(C)o1)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254869149 LFXGNYHOPQCHJZ-UHFFFAOYSA-N 426.429 5.706 30 10 IKEE COCCN=c1scc(-c2ccc(Cl)cc2Cl)n1N=Cc1sccc1C 263626425 FMYCXBPCOAHEDI-UHFFFAOYSA-N 426.394 5.323 30 10 IKEE CCCCCCCCC(=O)Nc1cc(I)ccc1Br 305986031 NBDHNBGQMCFJCS-UHFFFAOYSA-N 438.147 5.743 30 10 IKEE N#Cc1ccc(Br)cc1Oc1ncc(Br)cc1Br 308069536 AXKYMZUEYDBYOO-UHFFFAOYSA-N 432.897 5.033 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccc(OC)c2)c1 526514010 AGGDNXDPRLVAOF-DEOSSOPVSA-N 426.472 5.023 30 10 IKEE Cc1ccc(SC2=C(Nc3cc(F)ccc3F)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 526662975 LMBHCVYGJVXXLE-UHFFFAOYSA-N 447.466 5.134 30 10 IKEE CC(C)Oc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1ccc(F)c(F)c1 526709473 GDZMDKCTKQJMML-QHCPKHFHSA-N 449.453 5.535 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccc(OC(C)(C)C)cc1 526807000 BSMFCDYMWMXDGS-MYYYXRDXSA-N 443.016 6.236 30 10 IKEE Cc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1ccc(OC(C)C)c(Cl)c1 526822691 LGYGBDCQMRXESJ-MSXFZWOLSA-N 425.945 5.073 30 10 IKEE CCCCCCCCC[C@H](CN)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 698254086 ZMPXFKBCJLRIAL-HXUWFJFHSA-N 441.454 6.659 30 10 IKEE C=CCN(C[C@H](Cc1cccc(Cl)c1Br)NCCC)C(=O)OC(C)(C)C 719448263 ZFZSIVFEMBDXSR-INIZCTEOSA-N 445.829 5.436 30 10 IKEE CC[C@@](C#N)(CC1CCCCC1)N(C(=O)OC(C)(C)C)c1ccccc1Br 720368903 UOPCRUWZEDPWPO-QFIPXVFZSA-N 435.406 6.833 30 10 IKEE Oc1c(Cl)cccc1C=Nc1cc(C(F)(F)F)ccc1N1CCc2ccccc2C1 1083890406 MGKYVXJPLLDNKC-UHFFFAOYSA-N 430.857 6.378 30 10 IKEE CC/N=C1/S/C(=C/c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1CC 1084004812 LKAFLXKTZVHHHU-ASAQIREPSA-N 448.548 5.218 30 10 IKEE CCN1C(=O)C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)SC1=Nc1cccc(F)c1 1084568812 XTAVIJNZJAVGSU-MRXNPFEDSA-N 440.327 5.113 30 10 IKEE CSc1ccccc1N/C(=N/C[C@@H]1CCC[C@@H](CN)C1)NCc1cccc2ccccc12 1088652340 GSLWLHOFFUCCPD-NHCUHLMSSA-N 446.664 5.885 30 10 IKEE CCOC(=O)C1=C(/N=C/c2c(C)c(Cl)c(C)c([N+](=O)[O-])c2O)S[C@H]2CCCC[C@H]12 1088682578 PEPGOIDAHCTRTG-LNDAZEMFSA-N 438.933 5.070 30 10 IKEE COc1ccccc1/C=C1\S/C(=N\N=C/c2ccccc2C)N(Cc2ccco2)C1=O 1554646877 VAGGZXULUACBER-DOSRWIIRSA-N 431.517 5.103 30 10 IKEE COc1ccc([N+](=O)[O-])c(-c2ccc(C=NNc3c(F)c(F)c(F)c(F)c3F)o2)c1 1565518808 FYSJTHJVVSMFKQ-UHFFFAOYSA-N 427.285 5.005 30 10 IKEE FC(F)(F)c1ccc(Br)c([C@H]2CN(Cc3ccccc3)C[C@H]2CS)c1 1614692107 HLUDCECVAIKZBL-YOEHRIQHSA-N 430.333 5.613 30 10 IKEE CC([C@H](C1=C(N2CCOCC2)/C(=C\c2ccc(Cl)cc2)CC1)c1ccccc1)=[N+]([O-])O 1614950425 WTAUPWQYSHBZHQ-DEZPSGRBSA-N 438.955 5.248 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=Nc1cccc(C)n1 1772735923 JRSQVKVGZIRCRH-VASVRFFCSA-N 446.488 5.348 30 10 IKEE CCCCOc1ccc(/C=C2/SC(=Nc3ccc(C)cc3O)N(CC)C2=O)cc1OC 1772762336 DINSNRXXLLEIKU-LAJNNLEESA-N 440.565 5.512 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccc2O[C@H](C)C(=O)O[C@@H](C)CC)c1 1858739732 AUAPXFPNWOUYDY-ZWKOTPCHSA-N 439.556 5.281 30 10 IKEE N#Cc1cccc(C(=O)Nc2ccc(OCc3ccc(Br)cc3F)cc2)c1 1860160117 WQTZAJBKLOVVQJ-UHFFFAOYSA-N 425.257 5.291 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)/C=C/c1ccc(F)cc1)c1ccccc1 1861116409 YRGQENKCBATSFH-CIEQNIFPSA-N 438.587 5.953 30 10 IKEE CCCCCCCCNC(=O)[C@@H](C)NC(=O)c1ccc2nc(-c3cccc(C)c3)[nH]c2c1 1861442662 WSSKQZWTCCWKLN-LJQANCHMSA-N 434.584 5.133 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)C(c1ccccc1)c1ccccc1 1861478093 IEKMXVOCFIUYBJ-AREMUKBSSA-N 448.651 6.066 30 10 IKEE O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCN(Cc2ccc(F)cc2)CC1 1861853199 SXAWCAOLDKIIAA-UHFFFAOYSA-N 448.382 5.714 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(CCCC)cc3)=C(O)C(=O)N2C2CC2)cc1 1862393734 BZWBHZFVEGVOPP-RUZDIDTESA-N 447.575 5.949 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862395431 RHBDQTGXCFZDQP-XMMPIXPASA-N 430.548 5.745 30 10 IKEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@@H]2c2ccccc2)cc1 1862429995 ZRSDQXBFVSXPRC-MWTRTKDXSA-N 447.918 5.688 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc2c(c1)CCCN2C 1862452063 TYCXJTNNVCBVIG-QFIPXVFZSA-N 438.955 5.101 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cc(C)ccc2C)cc1 1862474446 NPEHSWVCOVCZHA-AREMUKBSSA-N 439.555 5.953 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccc(F)c1 1862489278 UCJYZFZWKOWNTK-QPPBQGQZSA-N 437.555 6.380 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(OC)cc1 1862489666 XXICZIRBUWEIEQ-BWKNWUBXSA-N 449.591 6.249 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc3cc[nH]c3c2)c1 1862490984 JCSMMCUYFJNPIK-RUZDIDTESA-N 442.559 6.086 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccccc2Cl)c1 1862508225 ZARDVKCBOQBWQC-QHCPKHFHSA-N 449.909 5.874 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862508937 UEPUYPFIKKVPAN-BUXKBTBVSA-N 436.310 5.818 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(O)cc2)cc1 1862613020 DALRGFBMYCGQGJ-HSZRJFAPSA-N 433.548 5.601 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862619069 MVBZMLFAYWPYFJ-UZUQRXQVSA-N 435.564 5.760 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1cccc(Cl)c1 1862641114 OSCLQFQAIJKCJI-FQEVSTJZSA-N 431.891 5.256 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccc(O)cc2)cc1 1862662988 OYAMLHNSDHJFLL-AVRWGWEMSA-N 441.527 5.855 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2ccccc2)cc1 1862687558 MGQJSPAHIGSBBJ-XMMPIXPASA-N 427.500 5.091 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc(Cl)c1 1862711852 DLHAENAMEGJTDO-HSZRJFAPSA-N 449.934 5.498 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc2cc[nH]c2c1 1862714011 BQGHNYVDISJABW-VWLOTQADSA-N 438.527 6.090 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C2CC2)c1 1862718921 FWPHKDHVMRHINZ-XMMPIXPASA-N 427.500 5.369 30 10 IKEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(Cl)cc1 1862725827 SQAWLDGABFBDAR-QHCPKHFHSA-N 447.918 5.232 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3cccc4ccccc34)C2=O)c1 1862840891 MAUCFBWWLZPVCR-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE CCCOc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccccc3C)C2=O)cc1 1862975180 AIWFDIFDKIFHFR-UHFFFAOYSA-N 437.499 5.052 30 10 IKEE N#Cc1cccc(NC2=C(c3cccc4ccccc34)C(=O)N(CCc3ccccc3)C2=O)c1 1863225744 LRKMOQWBUMZZAO-UHFFFAOYSA-N 443.506 5.146 30 10 IKEE CCCCCCCCNC1=C(c2ccc(Cl)c(Cl)c2)C(=O)N(C2CCCC2)C1=O 1863626444 ODXGMUINRLQYOX-UHFFFAOYSA-N 437.411 5.966 30 10 IKEE CC(C)c1nc(Nc2ccc(C#N)cc2)cc(N2C[C@H](C)N(c3ccccc3)[C@@H](C)C2)n1 1868241807 CIDIFMDJXOYTKQ-PMACEKPBSA-N 426.568 5.319 30 10 IKEE CCCCCCCOc1cn(CCN(CC)CC)c(CSc2ccccc2)cc1=O 1870251277 AIRJDBAXLMFSDV-UHFFFAOYSA-N 430.658 5.832 30 10 IKEE CCCCCCCCn1cc(OC)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870297629 QNPPSTHQFWJEEM-UHFFFAOYSA-N 427.614 5.702 30 10 IKEE CCCCCCCOc1cn(Cc2ccncc2)c(CN2C[C@H](C)C[C@@H](C)C2)cc1=O 1870412721 HPQREKXPYLVAAT-FGZHOGPDSA-N 425.617 5.119 30 10 IKEE C=CCn1cc(OCc2c(C)cc(C)cc2C)c(=O)cc1CNc1ccccc1C(C)C 1870803097 ZZLMYOFJBUNUMD-UHFFFAOYSA-N 430.592 6.274 30 10 IKEE C=CCn1cc(OCc2cccc(Cl)c2)c(=O)cc1CNc1ccc(Cl)c(C)c1 1870827911 WORZCZUWGYIXOQ-UHFFFAOYSA-N 429.347 5.841 30 10 IKEE CCCCCCCOc1cn(CC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870835774 ITKYJMDHOWCVJU-UHFFFAOYSA-N 433.596 6.573 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2C)c(CNc2ccc(C)cc2C)cc1=O 1870835976 CTMNVQKQARIEHD-UHFFFAOYSA-N 446.635 6.783 30 10 IKEE CCCCCCCOc1cn(CCc2cnc[nH]2)c(CNc2ccccc2CC)cc1=O 1870836826 XDZVZIAPDUCLHG-UHFFFAOYSA-N 436.600 5.338 30 10 IKEE CCc1ccc([C@H](C)N2COc3cc(C)c4c(c3C2)O/C(=C\c2ccc(F)cc2)C4=O)cc1 1871354031 FHFKWSPQWSBBMF-BDFPJNNISA-N 443.518 6.226 30 10 IKEE Cc1cc(OC(=O)c2cccc([N+](=O)[O-])c2C)cc2c1C(=O)/C(=C/C=C/c1ccccc1)O2 1871373796 UGBTWEUOFUIWSN-ZLBXDVNXSA-N 441.439 5.603 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871382162 OLKOYEKMTXKTRH-AJRXITOCSA-N 440.451 5.312 30 10 IKEE Cc1ccccc1OCCCCOc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O 1871404137 DAGURKPKTHMROF-XYGWBWBKSA-N 434.919 6.503 30 10 IKEE Cc1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)c1C 1871413900 QESRKVHUCPYMCK-YBBHFGDFSA-N 439.511 5.882 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCCOc4cccc5ccccc45)ccc3C2=O)c1 1871415860 XNLUFQJRULPPPK-PKAZHMFMSA-N 438.479 5.922 30 10 IKEE Cc1cc(OCC(=O)N[C@@H](C)c2ccccc2)cc2c1C(=O)/C(=C/c1ccccc1F)O2 1871424436 JOVJSRJEIMMPGC-ICODJCHTSA-N 431.463 5.007 30 10 IKEE Cc1ccc(CCOc2ccc3c(c2C)O/C(=C\c2ccc(-c4ccccc4)cc2)C3=O)cc1 1871437722 ZWQVZDJKGURAKE-BRPDVVIDSA-N 446.546 7.208 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OCCC(=O)Nc4ccccc4)c3C)C2=O)cc1 1871447193 OWOJAJOSNGDILY-KQWNVCNZSA-N 429.472 5.027 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2Cl)C3=O)cc1C 1871458561 CJICAXQOQYDUPQ-QRVIBDJDSA-N 447.918 5.899 30 10 IKEE CCCCCCCCN=c1nc(N(CCC)CCC)[nH]c(=Nc2ccc(C)c(Cl)c2)[nH]1 1871490724 SRKVDNNZUNVHHR-UHFFFAOYSA-N 447.071 5.820 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)CCCC 1871795274 VDJKSQQOLZREAK-HXUWFJFHSA-N 429.026 5.010 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(C)c(C)c1)[C@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1871910894 MGIBKVALMAFIIC-HOYKHHGWSA-N 442.625 5.150 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)C(C)C)S(=O)(=O)c1cccs1 1872014058 RTBQFPPGEKBNLV-NRFANRHFSA-N 448.654 5.276 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1 1872427081 GHHDKIIWAQIGOO-QFIPXVFZSA-N 449.016 5.331 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3cccc4ccccc34)n2)cc1OC 1872761251 JHQSGZKBVYPYHY-FQEVSTJZSA-N 428.513 5.399 30 10 IKEE N#C[C@@H](C(=O)CCCOc1ccc(Cl)cc1Cl)c1nc(-c2ccc(F)cc2)cs1 1872775875 CFMMFYYEDWZTMM-INIZCTEOSA-N 449.334 6.291 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(F)cc3)n2)cc1C(C)C 1872779410 JAPHWXUOJXWKSQ-TYOLEZHBSA-N 434.536 6.279 30 10 IKEE COc1c(Cl)cc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(F)cc3)n2)cc1Cl 1872785089 FHZPJLHMOUZCSX-SZTZYQKNSA-N 447.318 6.154 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)s2)cs1 1872789751 UCKZIJDXZPCWII-QMMMGPOBSA-N 443.764 6.330 30 10 IKEE C=CCN(CC=C)C(=O)c1ccc2nc(SCCCOc3ccc(CC)cc3)[nH]c2c1 1872816379 GQQZCWVIJTZUAV-UHFFFAOYSA-N 435.593 5.501 30 10 IKEE C=CCc1ccccc1OCc1cccc(C(=O)Nc2ccc(OCC)c(OCC)c2)c1 1872833819 BVPNXFRWHQHXMT-UHFFFAOYSA-N 431.532 6.044 30 10 IKEE C=CCNC(=O)c1c(NC(=O)CCCOc2ccc3ccccc3c2)sc2c1CCCC2 1873442788 PLFNRNCXRJKZJF-UHFFFAOYSA-N 448.588 5.494 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C(F)(F)F)cc2)cc2c(N3CCC(C)CC3)ncnc21 1873644553 WIUVNXIXUQCNPT-UHFFFAOYSA-N 443.473 5.125 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccccc1Cl 1874231918 INVGLYPSLIDRCW-JVWAILMASA-N 447.007 6.420 30 10 IKEE Cc1ccc(CSc2nnc(CCOc3ccccc3)n2/N=C/c2ccccc2F)cc1 1874345717 BSLQVOSPMBFEAS-WPWMEQJKSA-N 446.551 5.522 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2cccc(C)c2)cc1 1874387323 HCNOWASTUNPPBL-WPWMEQJKSA-N 426.589 5.969 30 10 IKEE Cc1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2cn(C)c3ccccc23)cc1 1874420449 MWAXIURCDPNWLY-AFUMVMLFSA-N 443.601 5.981 30 10 IKEE C=CCSc1nnc(C(F)(F)F)n1/N=C/c1ccc(OCc2ccccc2)c(OC)c1 1874461912 IAEZBBLIABTQSU-DHRITJCHSA-N 448.470 5.045 30 10 IKEE O=C(O)c1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2-c2ccco2)cc1 1874466991 NDGYSSKHYOVRCJ-FSJBWODESA-N 438.896 5.064 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1/N=C/c1cc(Br)ccc1O 1874503632 SEVPVNVYELIWBR-WSDLNYQXSA-N 445.386 5.182 30 10 IKEE C=CCSc1nnc(C(C)C)n1/N=C/c1ccc(OCc2ccccc2)c(OCC)c1 1874514394 WPOBFTHRKMOOSZ-PCLIKHOPSA-N 436.581 5.540 30 10 IKEE CC(C)c1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874515834 ROWNYCAVGWMDKQ-AFUMVMLFSA-N 427.017 6.527 30 10 IKEE COc1cc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C2CC2)ccc1OC(C)C 1874517676 GGFZKYQDEPXBNP-DHRITJCHSA-N 440.544 5.265 30 10 IKEE Cc1ccc(OCc2nnc(S)n2/N=C/c2ccccc2OCc2ccccc2)c(C)c1 1874563311 VUHDFLOXULCTJO-CVKSISIWSA-N 444.560 5.224 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccccc2/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1 1874570159 QCIGMCVWIDBRJU-OUKQBFOZSA-N 430.460 5.125 30 10 IKEE CCOC(=O)c1ccc(COc2ccccc2/C=C/C(=O)c2ccc(Cl)c(Cl)c2)o1 1874579127 YDZKKAGEJVHLSR-DHZHZOJOSA-N 445.298 6.238 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCCC)cc1 1874584474 PRMCWAFWOCGHTR-NTCAYCPXSA-N 444.999 7.383 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1Cl)Nc1ccc(F)cc1 1874612111 CGRWDYPEXQIREM-ONNFQVAWSA-N 444.289 6.046 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1 1874616692 ODEYDSNWXXILRV-OVCLIPMQSA-N 441.354 7.257 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Cl)c1OCc1ccccc1F 1874625934 DOSLVPREXVEAOH-RMKNXTFCSA-N 432.825 6.241 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2OC)cc1 1874633134 NEMHNYOTOPOPCG-NTEUORMPSA-N 443.543 5.788 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1OC(=O)Cc1ccccc1F 1874692505 KMNLARRYBGOYES-GXDHUFHOSA-N 440.470 6.032 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)CCC)c2)cc1OCCC 1874699605 CRXJCXAQMDBXKN-FMIVXFBMSA-N 440.536 5.874 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(OC(=O)C3CC3)c(OC)cc2Br)cc1 1874701296 LDPFDWQBKLQAOG-DHZHZOJOSA-N 445.309 5.068 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccccc3Cl)c2)cc1 1874706290 YXLDIFQONYNIBA-LFIBNONCSA-N 432.947 6.682 30 10 IKEE COc1ccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3cc(OC)ccc3OC)c2)cc1 1874706509 LVDKPVRHGSZUDH-NTEUORMPSA-N 446.499 5.147 30 10 IKEE CCCCCCC(=O)Oc1cccc(/C=C/C(=O)c2cc(OC)c(Cl)cc2OC)c1 1874712660 ZTSPBVXNQPQRFA-OUKQBFOZSA-N 430.928 6.129 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)Cc2ccc(Cl)cc2)c1 1874717853 FDNSPKUCXMFPCQ-YRNVUSSQSA-N 441.310 6.046 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(Cl)c1OC(=O)CCOC 1875095516 UEVKLDITAJJLMA-DHZHZOJOSA-N 438.907 5.730 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1cc(C)cc(C)c1 1875098865 MBLXBWHENAXLOB-XYOKQWHBSA-N 440.539 6.306 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)Cc1ccc(C)c(C)c1 1875115999 FWCHOSHUCMPXNY-WUXMJOGZSA-N 445.471 5.264 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC(=O)c1cccc2ccccc12 1875121814 JGHWUBVUQJZVEU-WYMLVPIESA-N 442.898 6.617 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2)c(Br)c1)c1ccc(Cl)cc1 1875125983 KOHBOPADEYZPOW-WUXMJOGZSA-N 441.708 6.218 30 10 IKEE C[C@H](C(=O)Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1Cl)c1ccccc1 1875155176 PQRQYIVLCPCIOF-IDCODDLRSA-N 440.926 7.098 30 10 IKEE CCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc1[N+](=O)[O-] 1875160882 NUFIOYSSUMUSNH-DHZHZOJOSA-N 425.481 5.503 30 10 IKEE COCC(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)cc1Cl 1875167542 DCMGMJPSLZWTAU-HWKANZROSA-N 429.683 5.103 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)c1ccc(C)cc1 1875174643 BKCSCMZUZKWLIN-UKTHLTGXSA-N 448.946 6.779 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)ccc1OC(=O)CC(C)(C)C 1875181457 HSGWHTSRXZGEGR-CSKARUKUSA-N 444.955 6.293 30 10 IKEE Cc1sc(NS(=O)(=O)c2ccc(C#N)cc2)nc1-c1ccc(-c2ccccc2)cc1 1892111622 WZNPGDBTQUEYKT-UHFFFAOYSA-N 431.542 5.458 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C 1922079595 HCEIMAHHKAOLAG-SGNDLWITSA-N 430.633 5.601 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]12CCCN(C(=O)OC(C)(C)C)C[C@@H]1C2 1922108345 SWGPOFXYJGSMIO-JCYRPKCISA-N 428.617 5.165 30 10 IKEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@H]1CN(Cc2ccccc2)C2(CCCCC2)C1 2020316391 BEYDSGWAROZITB-QHCPKHFHSA-N 427.633 5.024 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@H](NC(=O)OC(C)(C)C)C1(C)C 2066216282 AEAXVAXWPQMYLV-MHECFPHRSA-N 445.560 5.022 30 10 IKEE Fc1cc(-c2c(C(F)(F)F)nn(C3CCSCC3)c2Cl)ccc1C(F)(F)F 2080785716 VLRFDNVMDAIJLI-UHFFFAOYSA-N 432.792 6.448 30 10 IKEE Cc1cc(-c2c(C3CCCCC3)nn3c(Cl)c(C#N)cnc23)ccc1Br 2081558437 VIIIRHAPOGSDRM-UHFFFAOYSA-N 429.749 6.040 30 10 IKEE C=CCCCCCC[C@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 2085841765 KMUPPIYXEQPZGC-JWQCQUIFSA-N 446.676 6.381 30 10 IKEE CCc1ccc(Nc2ccc(C#N)c(Br)c2)cc1I 2128726365 PIKCQISDTUPSNG-UHFFFAOYSA-N 427.083 5.231 30 10 IKEE N#Cc1cc(F)c(N[C@@H]2CN(Cc3ccccc3)CC3(CCC3)C2)cc1Br 2151117531 JCSMSEQWPCVWKH-SFHVURJKSA-N 428.349 5.317 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(CNc1cc(Br)cc(F)c1C#N)C2 2163711939 WIHKTVMMKMTKCI-GJZGRUSLSA-N 438.341 5.050 30 10 IKEE CCCCN(C[C@H]1CCCN1C(=O)OC(C)(C)C)c1cccc(Br)c1C#N 2174815364 SEXCLQLOWKRJEY-MRXNPFEDSA-N 436.394 5.327 30 10 IKEE Cc1ccc(C#N)cc1NC(=O)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2181054376 WMDLQUNPALPEAG-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE COc1cccc(C)c1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2183191240 MDUYMZUAUPYCOB-QGZVFWFLSA-N 431.330 5.773 30 10 IKEE CCCC#C[C@@H](NC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2218455869 GLBWEWVKEMBVDQ-LEAFIULHSA-N 429.560 5.270 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Br)c([C@@H](N)C#Cc2ccc(Cl)cc2)c1 2231005739 ZBQWVNZOSLQRKC-SFHVURJKSA-N 435.749 5.501 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)c1ccc(NC(=O)OC(C)(C)C)cc1 2235717294 JCGDKHDHBQGLKJ-HXUWFJFHSA-N 429.358 5.498 30 10 IKEE C=C1CCC(C[C@H](O)[C@H](Cc2ccc(Br)cc2)NC(=O)OC(C)(C)C)CC1 2237388202 MIEFVLOVFXDQMS-PMACEKPBSA-N 438.406 5.382 30 10 IKEE CCCC#CC[C@H](NCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237421645 JWNNQPZXLZUMCN-VQTJNVASSA-N 437.422 5.057 30 10 IKEE C=C1CCC(C[C@@H](NC)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)CC1 2248454606 VSGVGCYOVNPJED-HSZRJFAPSA-N 428.617 5.165 30 10 IKEE CC(C)(C)OC(=O)NC[C@]1(C)CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2249882846 JLEXDUAKUNELOQ-BJKOFHAPSA-N 429.561 5.405 30 10 IKEE C=CC[C@]1(COc2ncc(Br)cc2C)CCCN(C(=O)OC(C)(C)C)C1 2272150568 PYICIZIXBBBIRC-FQEVSTJZSA-N 425.367 5.125 30 10 IKEE CCN[C@@H](CC#CC1CCCC1)c1ccc(I)c(Br)c1 2289871335 XGGZQHCRMKCIAN-KRWDZBQOSA-N 446.170 5.288 30 10 IKEE COc1ccc(CN2C(=O)C(=Cc3c[nH]c4ccccc34)SC2=Nc2ccccc2)cc1 2294143873 PXCYRMCBCGIPEI-UHFFFAOYSA-N 439.540 5.981 30 10 IKEE CCCCCCCCCCCCCCCCCCCN=Cc1cc([N+](=O)[O-])ccc1O 2295123251 WTTXFMRCAADCEA-UHFFFAOYSA-N 432.649 8.371 30 10 IKEE Cc1ccc([C@H](O)C#Cc2ccc(Br)cc2)c(NC(=O)OC(C)(C)C)c1C 2296276796 LZPKJFJYCCSFIT-LJQANCHMSA-N 430.342 5.498 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc(CC[C@H](O)C#Cc2ccc(Br)cc2)c1 2296282068 RZEBTQONOVPZPU-HXUWFJFHSA-N 430.342 5.141 30 10 IKEE Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(Cl)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 2296311804 CKNKAYBXZNYPSZ-NRFANRHFSA-N 448.862 5.183 30 10 IKEE O=C(C=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc2noc(-c3ccccc3)c2c1 2296878215 DHZZAXYIVJWVSC-UHFFFAOYSA-N 436.423 6.559 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(O)c3CN3CCCC[C@H]3c3cccnc3)C2=O)cc1 2297472795 NSPKOYAWBNWQTQ-QHCPKHFHSA-N 442.515 5.139 30 10 IKEE C=CCOc1ccc(C=C2SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1OCC 2297534827 YRTSSXJMYHLSKV-UHFFFAOYSA-N 425.575 5.360 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccc(C(F)(F)F)cc1 2318572030 YPEPEFWVQQXXCO-UHFFFAOYSA-N 446.542 6.431 30 10 IKEE Cc1ccc(COc2cccc(C=NNc3oc([C@H]4C[C@@H]4c4ccccc4)nc3C#N)c2)cc1 2320840019 QDYMUUHJTIYEGB-RPBOFIJWSA-N 448.526 6.151 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc2c(c1)OCCO2 2321020515 DJYNZJPIWHXAMV-UHFFFAOYSA-N 449.363 5.093 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1cc(Cl)ccc1O 2321061670 CPVYBNQSDSVXKS-UHFFFAOYSA-N 425.316 5.167 30 10 IKEE O=C1c2ccccc2C(=O)N1N=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2321708914 JQVPWQNNOZTABF-UHFFFAOYSA-N 425.271 5.203 30 10 IKEE Sc1nnc(-c2cccs2)n1N=Cc1c(OCc2ccccc2)ccc2ccccc12 2321947040 XFVPJJNKNHXZFX-UHFFFAOYSA-N 442.569 5.910 30 10 IKEE O=C1C(=Cc2c(Cl)cccc2Cl)Oc2c1ccc1c2CN(C2CCCCCC2)CO1 2322076015 DJPXMFOKEODAJN-UHFFFAOYSA-N 444.358 6.484 30 10 IKEE CCc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2cccc(Cl)c2)C4)cc1 2322214385 YQAGDSFBMFOJAW-UHFFFAOYSA-N 445.946 6.179 30 10 IKEE CCOc1ccc(C(=O)C=Cc2c(OCc3ccccc3F)ccc3ccccc23)cc1 2322549709 FFOAKVWUHFEJCT-UHFFFAOYSA-N 426.487 6.853 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCc3cccc(F)c3)ccc3ccccc23)cc1F 2322708308 LVUYMWKFKPEAPO-UHFFFAOYSA-N 430.450 6.602 30 10 IKEE Cc1cc(OC(=O)c2ccccc2Cl)cc2c1C(=O)C(=Cc1cccc(Cl)c1)O2 2322724710 GNYKKVVUCDPXQD-UHFFFAOYSA-N 425.267 6.137 30 10 IKEE Cc1cccc(NC(=O)COc2ccccc2C=CC(=O)c2ccc(C(C)C)cc2)c1C 2322724947 BRNQEFWQSURRNV-UHFFFAOYSA-N 427.544 6.340 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(Cl)cc2C=CC(=O)c2ccc(F)c(F)c2)cc1 2322781836 CNCHXQBFQJQMFL-UHFFFAOYSA-N 441.861 5.840 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1OCC(=O)Nc1ccc(C)cc1 2323126443 RTWWVCACKMTUGJ-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OCc3c(F)cccc3Cl)c2)cc1 2323130905 AFMHVZBTRUOXGX-UHFFFAOYSA-N 440.898 6.362 30 10 IKEE COc1ccccc1C=C1Oc2cc(OC(=O)CCCOc3ccccc3)ccc2C1=O 2323177688 CERTYOOORUSSNM-UHFFFAOYSA-N 430.456 5.076 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)CCCOc3ccccc3)cc(C)c2C1=O 2323186761 BXFUDXXIQZXLAJ-UHFFFAOYSA-N 428.484 5.684 30 10 IKEE O=C1C(=Cc2cccs2)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc21 2323203512 UGWDSSPYEFHOTB-UHFFFAOYSA-N 438.504 6.102 30 10 IKEE Cc1cccc(NC(=O)COc2cccc(C=CC(=O)c3ccc(C(C)C)cc3)c2)c1C 2323212630 NHBLKXIXRKOFSX-UHFFFAOYSA-N 427.544 6.340 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc(C)c2C1=O 2323336026 YDPCWQMRHSFTRV-UHFFFAOYSA-N 429.428 5.355 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OC(=O)Cc4ccc(OCC)cc4)ccc3C2=O)cc1 2323370402 BWBTUPCAYXQWSY-UHFFFAOYSA-N 444.483 5.248 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCC(=O)OCC(C)C)c(OCC)c2)cc1 2323555122 VFLGCOGSKNATSQ-UHFFFAOYSA-N 438.564 5.902 30 10 IKEE C=CCOc1c(OCC)cc(C=CC(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 2323589642 LVEIAFVEVYTNQG-UHFFFAOYSA-N 432.270 5.217 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2F)c(Br)c1)c1cccc(Cl)c1 2323766642 ALJZXGFFQZTKAQ-UHFFFAOYSA-N 445.715 6.717 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)c4ccc(OC)cc4OC)cc(C)c3C2=O)cc1 2323777603 LBYJSLUUCHNORS-UHFFFAOYSA-N 444.483 5.410 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OC(=O)c3ccc(OC(=O)C(C)C)cc3)ccc2C1=O 2323933614 UDJHZOKGFLBOLJ-UHFFFAOYSA-N 448.496 5.453 30 10 IKEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2[N+](=O)[O-])o1 2323949565 RYQJPERIZOOQER-UHFFFAOYSA-N 435.432 5.066 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Cl)c1OCc1cccc(C)c1 2323953017 BUWQSOCLJXTMJS-UHFFFAOYSA-N 434.963 7.139 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2OC)cc(OC)c1OCCc1ccccc1 2324010144 QMKDOVUIEQEWKQ-UHFFFAOYSA-N 442.555 6.258 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccccc1C 2324455416 MCRZFYANFGZLFI-UHFFFAOYSA-N 443.543 5.924 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCCOc4ccc(C)cc4)cc(C)c3C2=O)cc1 2324538741 SMKYSVBQHTWMHG-UHFFFAOYSA-N 430.500 5.776 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(Cl)c2)ccc1OCc1ccccc1C 2324623307 CKAORFUEDKVFHU-UHFFFAOYSA-N 436.935 6.531 30 10 IKEE Cc1cc(OCC(C)C)cc2c1C(=O)C(=Cc1cc(Br)cc3c1OCOC3)O2 2324631074 RLNFZCNMYUXLHS-UHFFFAOYSA-N 445.309 5.275 30 10 IKEE COc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3cccc4ccccc34)cs2)cc1OC 2324637733 OQJQBSLIRQIAFJ-OAQYLSRUSA-N 440.524 5.870 30 10 IKEE O=C(C=Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(OCc2ccccc2)cc1 2325589872 OQTQRVMBWYICKK-UHFFFAOYSA-N 426.299 5.793 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC(=O)CCc3ccccc3C)c2)cc1 2325712756 VAEJTKSHGYWJQZ-UHFFFAOYSA-N 426.556 6.772 30 10 IKEE COc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2sccc2C)C3=O)cc1 2325732051 GZEZMLQYMZVKTB-UHFFFAOYSA-N 435.501 5.007 30 10 IKEE CCCCCCCCC(=O)Oc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OC 2325753355 SFVMLCWBAPOQSZ-UHFFFAOYSA-N 430.491 6.526 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)CCc2ccccc2)c1 2325764036 FHWCKNUWFCKJCW-UHFFFAOYSA-N 434.919 6.091 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2cccc(OC(=O)c3ccc(C)cc3)c2)cc1Cl 2325766466 ATVCVEYKAHANEN-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1cccc(F)c1 2326074864 MZLAXJMIPXULGV-UHFFFAOYSA-N 430.936 5.243 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1cccc(C(F)(F)F)c1 2326592324 PBKJMPGBNWSUML-UHFFFAOYSA-N 432.515 6.041 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1N=Cc1c(C)[nH]c2ccccc12 2326637705 FZKKCGONOPYIFV-UHFFFAOYSA-N 425.561 5.958 30 10 IKEE CCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1N=Cc1ccc(C(C)C)cc1 2326797696 ZNWHFESIDOTPFL-UHFFFAOYSA-N 436.581 5.315 30 10 IKEE CCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccc(N(C)C)cc1 2326932801 JQUIPIVLGZEYBH-UHFFFAOYSA-N 437.657 5.487 30 10 IKEE C=CCSc1nnc(CCc2ccc(OC)cc2)n1N=Cc1ccc(C(C)(C)C)cc1 2328579990 FWBZYFNOCCKCBN-UHFFFAOYSA-N 434.609 5.530 30 10 IKEE CCCOc1ccccc1C=Nn1c(COc2ccc(C)cc2C)nnc1SCCC 2328906062 QPORHFUGELQBLR-UHFFFAOYSA-N 438.597 5.647 30 10 IKEE CCOc1ccc(C=Nn2c(CCc3ccc(C)c(C)c3)nnc2SC)cc1OCC 2328922097 OTXWCDMPNAOYCN-UHFFFAOYSA-N 438.597 5.082 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(F)cc3)n2N=Cc2ccc(F)cc2)c1 2329816275 DVYZRVHMMRLQAB-UHFFFAOYSA-N 434.515 5.630 30 10 IKEE Fc1ccc(Cc2nnc(SCc3ccccc3F)n2N=Cc2cccs2)cc1 2329839898 APGDKDGWRZZIJQ-UHFFFAOYSA-N 426.517 5.383 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(F)c3)n2N=Cc2cccc(O)c2)cc1 2329956727 LJVIRZPWADJPTG-UHFFFAOYSA-N 432.524 5.197 30 10 IKEE Cc1ccc(CSc2nnc([C@@H](C)c3ccccc3)n2N=Cc2ccc(F)cc2F)cc1 2330050846 LNSRQTXVTFUZBZ-SFHVURJKSA-N 448.542 6.191 30 10 IKEE Fc1ccc(CSc2nnc(CC3CCCCC3)n2N=Cc2ccc(Cl)cc2)cc1 2330236243 BMPPDXZLODCUBC-UHFFFAOYSA-N 442.991 6.368 30 10 IKEE Fc1ccccc1C=Nn1c(CC2CCCCC2)nnc1SCc1ccccc1F 2330272738 GOQKHJOSWQKROJ-UHFFFAOYSA-N 426.536 5.854 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2ccccc2C)nnc1-c1ccccc1 2330636163 NAAOOMCKJYFQNF-UHFFFAOYSA-N 440.572 5.993 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2Cl)cc(OC)c1OC(=O)CCCSC 2330949110 LWDQOJOXDOXYFM-UHFFFAOYSA-N 444.980 6.022 30 10 IKEE C=CCSc1nnc(C2CCCC2)n1N=Cc1ccc(OCCCCC)c(OC)c1 2331081261 QXSRVPDNACEFPI-UHFFFAOYSA-N 428.602 5.674 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)c1ccncc1 2331104168 DPMZPYFXHXDPEN-UHFFFAOYSA-N 435.426 5.212 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)c1ccc(C)cc1 2331136477 JOQVANBWYNTIPV-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE O=C(O)c1ccccc1C=Nn1c(SCc2cccc(Cl)c2)nnc1-c1ccco1 2331225278 IHLWZUKLNYKSPD-UHFFFAOYSA-N 438.896 5.064 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)C(c3ccccc3)c3ccccc3)cc2)c1 2331313313 CATKZDHEVQOKMW-UHFFFAOYSA-N 446.546 6.937 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(N(C)C)cc3)c(Cl)c2)c1 2331320020 BLIIOOHEOHYOPH-UHFFFAOYSA-N 433.935 6.138 30 10 IKEE CCCCc1nnc(SCc2ccccc2C)n1N=Cc1c(OC)ccc2ccccc12 2331322607 RITJSKNGZHZWLA-UHFFFAOYSA-N 444.604 6.265 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)c(C)c3)c(OC)c2)cc1F 2331467631 NFQCQIWDZBCNRT-UHFFFAOYSA-N 434.463 5.575 30 10 IKEE CCSc1nnc(C2CCC2)n1N=Cc1ccc(OCc2ccc(C)cc2)c(OC)c1 2331509641 BIOZEIWBMGEQDK-UHFFFAOYSA-N 436.581 5.436 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)c1sccc1C 2331532056 PQUIYZLHLHFTAN-UHFFFAOYSA-N 444.911 6.363 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)Cc1ccc(C)cc1 2331539603 TUNNPGVYHKWQJO-UHFFFAOYSA-N 444.502 5.915 30 10 IKEE CCCSc1nnc(CCC)n1N=Cc1ccc(OCCc2ccccc2)c(OC)c1 2331657721 ALFGCBUXCRCEMF-UHFFFAOYSA-N 438.597 5.245 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3cc(C)cc(C)c3OC)cc2)cc1 2331660158 NGAJFHMUGOXSEO-UHFFFAOYSA-N 442.555 6.309 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H]3C[C@H]3c3ccccc3Cl)cc2)cc1C 2331705113 CJAMNRQGWXQYPP-ZEQRLZLVSA-N 430.931 6.562 30 10 IKEE N#Cc1nnn(Cc2ccc(Cl)cc2)c1NC(=O)C(=Cc1ccccc1)c1ccccc1 2332148967 TYIBURSSDHOPOG-UHFFFAOYSA-N 439.906 5.031 30 10 IKEE CC1(C)OB(C=Cc2ccc(N(Cc3ccccc3)CC3CCOCC3)nc2)OC1(C)C 2339539445 HZKDIUVXSIHZSR-UHFFFAOYSA-N 434.389 5.159 30 10 IKEE CCN[C@H](C#C[C@H]1CC1(F)F)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2341058650 FLXZHYKXYXYGTH-SWLSCSKDSA-N 429.305 5.105 30 10 IKEE C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)S/C1=N\c1ccccc1C 1416212 ADNVSXDVQBDWNQ-YEUWRSSNSA-N 448.375 5.448 30 10 IKEE Cc1ccc(C)c(CN2C(=O)/C(=N\NC(=S)Nc3c(C)cccc3C)c3ccccc32)c1 3041808 OEODNHSTSCHKBO-COOPMVRXSA-N 442.588 5.158 30 10 IKEE O=S(=O)(NC1CCCCC1)c1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1 13977432 WGDGDTLAUBLHIZ-ZXVVBBHZSA-N 448.588 5.627 30 10 IKEE O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1c[nH]c3ccccc13)n1c(nc3ccccc31)N2 17096984 IODTXMITANPSKX-CLYVBNDRSA-N 430.511 5.933 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccccc2OC(F)(F)F)nnc1-c1ccc(C)cc1 20167528 OTEREMCNBUBBPX-UHFFFAOYSA-N 448.470 5.069 30 10 IKEE O=C1C[C@H](c2cccc3ccccc23)C2=C(C[C@H](c3ccc(Cl)c(Cl)c3)CC2=O)N1 21226816 OEGXJZBQQFFILZ-QFBILLFUSA-N 436.338 6.151 30 10 IKEE COc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccccc1Cl)C2 21235059 BKEBLJRBVZHDQU-AKJBCIBTSA-N 430.935 6.328 30 10 IKEE CCOc1cc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(C(C)(C)C)cc2)C3)ccc1O 21244481 QGMHTFBMCYITLL-ICSRJNTNSA-N 433.548 5.093 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2C(F)(F)F)cc1 21259919 GGKMICAREQAZDU-QAPCUYQASA-N 429.438 5.108 30 10 IKEE COc1cc([C@@H]2C3=C(C[C@@H](c4ccc(Cl)cc4)CC3=O)Nc3onc(C)c32)ccc1O 28052259 LLRSHVCWDRHYSA-QRQCRPRQSA-N 436.895 5.309 30 10 IKEE Cc1cc(Br)c(/N=C2\NC[C@H](c3ccccc3)S2)c(Br)c1 35287005 RUDIZHOZQMPHGC-CQSZACIVSA-N 426.177 5.585 30 10 IKEE CCCN(CCC)Cc1c(O)ccc2c1O/C(=C/c1cc(Cl)cc3c1OCOC3)C2=O 37857873 NGWGGYWOKMYRKF-SRZZPIQSSA-N 443.927 5.150 30 10 IKEE C=CCOc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccco2)cc1 39839637 YEIUPMMNPQESKF-JOCHJYFZSA-N 447.874 5.350 30 10 IKEE CCCCCCn1c2ccccc2c2nnc(N/N=C/c3ccc(Cl)c(Cl)c3)nc21 64981179 AGKOAINSFHDNMX-AFUMVMLFSA-N 441.366 6.313 30 10 IKEE CCN1C(=O)C[C@H](C(=O)Nc2ccc(C)c(Cl)c2)S/C1=N\c1ccc(Cl)cc1 100197039 UWEDZZVLLQVZPQ-BJUXRVGASA-N 436.364 5.282 30 10 IKEE CCn1cc(/C=C2/Oc3cc(OC(=O)/C=C\c4ccccc4)ccc3C2=O)c2ccccc21 102738730 RJCNDIUKZRXYMB-QJSLOHPLSA-N 435.479 5.896 30 10 IKEE Cc1ccc(/N=C2\NC(=O)S\C2=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1C 105909634 XCPFYPZUDAUFLL-UDWIEESQSA-N 442.462 7.110 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2cc(C)ccc2C)c1 169932946 LTWNQSHRTXSWOW-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CCN1C(=S)N[C@H](c2ccccc2OCc2ccc(Cl)cc2Cl)C(C(C)=O)=C1C 169933454 ZDCMBOYLMXVBCM-OAQYLSRUSA-N 449.403 5.687 30 10 IKEE O=C1CCCC2=C1[C@@H](c1cccc(OCc3ccc(Cl)cc3Cl)c1)NC(=S)N2 169938910 DOIXCLPDTJMKON-HXUWFJFHSA-N 433.360 5.098 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccc(O)cc2)cc1C 169960301 NIOZXLNERDBEPG-VWLOTQADSA-N 427.500 5.111 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccc(C(C)C)cc2)c1 169967554 WNBSSWVDQSHWNL-SANMLTNESA-N 439.555 6.518 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2cccc(C)c2)cc1 169971614 JBNIPELAAIINFH-HSZRJFAPSA-N 433.454 5.619 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2cccs2)cc1 169988170 SOTNFOLDSOQKJC-HXUWFJFHSA-N 425.456 5.372 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccn2)cc1 169992271 ZGRZEFGMALSBHT-QFIPXVFZSA-N 430.479 5.301 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccc(F)cc2)c1 170061510 OLTOWXIEETUYSY-RUZDIDTESA-N 429.491 5.544 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)o1 170101069 NFEXNEGJKFEZDQ-FQEVSTJZSA-N 443.833 5.611 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(O)cc2)c1 170130183 PUSHKFXEIUPQFS-JOCHJYFZSA-N 449.528 5.021 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@H]1c1cccs1 170158107 ZALBVJIBJWOEEM-QFIPXVFZSA-N 433.529 5.465 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccncc2)ccc1OCC(C)C 170203501 OBOVGMJEYWASHL-DEOSSOPVSA-N 442.515 5.208 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1ccccc1F 170249626 JAPLLAYCCVSLAV-QHCPKHFHSA-N 445.490 5.542 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)c(Cl)c2)=C(O)C(=O)N1CCOC(C)C 170270544 ORBDHMLUGGXQEB-HXUWFJFHSA-N 448.346 5.305 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(C4CCCCC4)[C@H]3c3ccccc3C)oc12 170275557 QLMNBBMFSLZSAI-QHCPKHFHSA-N 445.515 5.661 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2C)cc1C(C)C 170278277 ZIJARPBUIKEJTC-RUZDIDTESA-N 447.575 6.038 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cc4cc(Cl)ccc4o3)=C(O)C(=O)N2c2ccccc2)o1 170302943 UBPLUBZTPPLVIN-OAQYLSRUSA-N 433.847 5.771 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(C)o1 170310052 KNGTYIHRODDNDW-QHCPKHFHSA-N 439.552 5.700 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2sccc2C)cc1 170319060 SSMJFSDNXHPJLP-HXUWFJFHSA-N 427.566 5.614 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@@H]1c1cccc(OCCC)c1 170323423 HECCKRUAZFXIQM-DEOSSOPVSA-N 449.547 5.179 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1CCc1c[nH]c2ccccc12 170425023 SQOLRRWNSGFRGD-HXUWFJFHSA-N 448.569 5.420 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1ccc(O)cc1 170451586 OQEPJYREKYHUDE-QGZVFWFLSA-N 442.924 5.171 30 10 IKEE O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1cccs1)c1c([nH]n(-c3ccccc3)c1=O)N2 206668693 SQACQJKZINATSO-SPLOXXLWSA-N 445.569 5.247 30 10 IKEE Cc1cc(C)c(N=C2S[C@@H](CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2C)c(C)c1 252599731 DKUIRAHKCVKKRS-KRWDZBQOSA-N 449.498 5.221 30 10 IKEE N#Cc1ccc(Nc2ccc(I)cc2Br)cc1Cl 302382898 MDLDIHGGLXJSOH-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE CCCCCCCCCC(=O)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 405854155 ZTUPPWAINPMTFI-UHFFFAOYSA-N 426.395 7.120 30 10 IKEE CCOc1cc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(C)cc2)ccc1OC 526487109 VCMITGSUPQRBNM-VWLOTQADSA-N 440.499 5.331 30 10 IKEE CC(C)COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(F)cc2)c1 526606456 ZVKAVDGADRGTOD-VWLOTQADSA-N 442.490 5.789 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1ccc(OCC)c([N+](=O)[O-])c1 526807688 CMIJXUIHLMZFEE-UCQKPKSFSA-N 439.541 5.020 30 10 IKEE Clc1cccc(/C=N\n2cnnc2SCc2ccc(Br)cc2)c1Cl 526819983 QIBVBAXQRGGANF-WNFQYIGGSA-N 442.169 5.522 30 10 IKEE Cc1ccc(CN(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 586134567 UMIQMNCHXRHOMZ-UHFFFAOYSA-N 445.371 5.565 30 10 IKEE CCCCCCCCC[S@](=O)CC(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 586354438 VKQXSHMCUSFSNA-LJAQVGFWSA-N 441.659 5.241 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@](C)(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 698377756 VDOASGPMOLWTPA-CYFREDJKSA-N 429.561 5.105 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C=O)(Cc1c(F)ccc(Br)c1F)C2 712803275 AFKTXLVEDGVNSJ-STQMWFEESA-N 444.316 5.017 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C1 724073649 WIOOONOTBBCIIV-MWTRTKDXSA-N 449.979 5.669 30 10 IKEE CCOc1cc(C=NNc2nc(-c3ccc(Br)cc3)cs2)ccc1OC 1084153663 LAVRRTWGZSMSSV-UHFFFAOYSA-N 432.343 5.426 30 10 IKEE C=C1CC[C@H](O)C/C1=C/[C@H](O)[C@]1(O)CCC[C@@]2(C)[C@H]([C@@H](C)/C=C/[C@@H](C)C(C)C)CC[C@H]21 1857787968 KXILCRGOVVVVRF-IFOKYBQCSA-N 430.673 5.807 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc3c(OC(=O)c4cc5ccccc5[nH]4)cccc23)c1 1858929785 CCOIDORMXLVMLM-UHFFFAOYSA-N 431.451 5.664 30 10 IKEE N#Cc1cccc(C(=O)Nc2cc(NC(=O)c3c(F)cccc3Cl)ccc2Cl)c1 1860451662 ZAGPTWONDQCQLQ-UHFFFAOYSA-N 428.250 5.509 30 10 IKEE N#Cc1c(NC(=O)CSc2nc(-c3ccc(F)cc3)cs2)sc2c1CCCC2 1860798239 DZHMMYRXRNUQJG-UHFFFAOYSA-N 429.567 5.492 30 10 IKEE CC(C)OC(=O)c1cccc(CSc2nc(O)c(C#N)c(-c3ccccc3Cl)n2)c1 1860825299 YGCLHCAIXFDXAJ-UHFFFAOYSA-N 439.924 5.232 30 10 IKEE CCCCCCCCNC(=O)[C@@H](C)NC(=O)CCCOc1cc(C)c(Cl)c(C)c1 1861695552 ILJGQUAOKDSDFE-LJQANCHMSA-N 425.013 5.097 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)COc1ccc(Cl)cc1 1861732603 PFCXCKRLTPXYMQ-QFIPXVFZSA-N 439.040 5.651 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CCCCC2)cc1 1862433433 BNEKDJMQSAMKCX-QFIPXVFZSA-N 439.939 5.650 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(C(C)(C)C)cc1 1862435575 ZCKPZCJZJAMUKY-QFIPXVFZSA-N 439.983 6.406 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccccc1Br 1862439360 LGZHSRYMKXRBFO-GOSISDBHSA-N 448.744 5.481 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(O)c1 1862442526 KDJGBKAVFKBFTK-DENIHFKCSA-N 441.955 5.983 30 10 IKEE CN(C)c1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862447383 OYDAFXVESCVZJV-QHCPKHFHSA-N 446.934 5.185 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@@H]2c2ccccc2)c1 1862487010 QDNKCMNWUYIFDJ-HSZRJFAPSA-N 431.919 5.735 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccccc2)cc1 1862487070 RRGZKWQJMNQROG-IBVKSMDESA-N 439.555 6.205 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccc(C)c1 1862490198 PRQWCZMTFGCIBA-RDGATRHJSA-N 433.592 6.549 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cccc(O)c1 1862506996 CSTSLBJXGHSTNR-HSZRJFAPSA-N 439.527 5.779 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862594576 GORDGFPJETZASB-AVRWGWEMSA-N 441.527 5.855 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(N(CC)CC)cc1 1862599651 FFMVBZNVUHECNB-QHCPKHFHSA-N 436.552 5.007 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccc1Cl 1862652682 JMKZBNOVUSMSMA-JOCHJYFZSA-N 435.907 5.108 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(O)cc2)cc1 1862663352 SIRLRBOJQUNFAU-DEOSSOPVSA-N 445.490 5.433 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc2cc[nH]c2c1 1862677803 GUIFELPZLBUKAW-GYCJOSAFSA-N 440.474 5.647 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2ccccc2F)cc1 1862686812 BWZACBBKSSXXDS-DEOSSOPVSA-N 445.490 5.230 30 10 IKEE Cc1c(Cl)cccc1NC1=C(c2ccc(F)cc2)C(=O)N(c2ccccc2C#N)C1=O 1862776474 QUHUROCURSEYSG-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)c(F)c2)=C(c2ccc(F)cc2)C1=O 1863146782 MRJNNSJKUQRXAH-UHFFFAOYSA-N 430.470 5.656 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(Cl)c2)=C(c2ccc(F)c(C)c2)C1=O 1863458200 RQDHXVRASFLBSM-UHFFFAOYSA-N 442.962 6.340 30 10 IKEE CCCCCCCCCCNC1=C(c2c[nH]c3ccccc23)C(=O)N(Cc2ccco2)C1=O 1863812294 FJQIXBABJNBCRC-UHFFFAOYSA-N 447.579 5.771 30 10 IKEE N#Cc1ccc(NC(=O)CCCCCCCCCCN2C(=O)c3ccccc3C2=O)cc1 1865895951 CCSFUVMZURQGQH-UHFFFAOYSA-N 431.536 5.304 30 10 IKEE N#Cc1c(NC(=O)CCCN(Cc2ccccc2)Cc2ccccc2)sc2c1CCCC2 1866047094 RIDKNEUETYHOLJ-UHFFFAOYSA-N 443.616 5.920 30 10 IKEE N#Cc1cccc(Nc2cc(N3CCO[C@H](c4ccccc4)C3)nc(Cc3ccccc3)n2)c1 1868200894 IKOSRZCYAPDBOJ-VWLOTQADSA-N 447.542 5.261 30 10 IKEE CCCCCCCOc1cn(CCOc2ccc(OC)cc2)c(CN(CC)CC)cc1=O 1870416549 CPHCVADTMMYPMG-UHFFFAOYSA-N 444.616 5.127 30 10 IKEE CCCCCCCOc1cn(Cc2cccc(C)c2)c(CNc2ccc(OC)cc2)cc1=O 1870835679 DDFMYPFVNWEFDN-UHFFFAOYSA-N 448.607 6.175 30 10 IKEE CCCCCCCOc1cn(Cc2ccncc2)c(CNc2ccc(OCC)cc2)cc1=O 1870835688 DSVNHODRGGRQAH-UHFFFAOYSA-N 449.595 5.652 30 10 IKEE CCCCCCCCn1cc(OCC(C)C)c(=O)cc1CNc1cccc([N+](=O)[O-])c1 1870858170 XHNMMMNGKFDIHB-UHFFFAOYSA-N 429.561 5.764 30 10 IKEE CCCCCCCCn1cc(OCCC)c(=O)cc1CNc1cc(OC)cc(OC)c1 1871105336 NOZRGNOKZUFTML-UHFFFAOYSA-N 430.589 5.627 30 10 IKEE CCc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCc2ccc(C)cc2)C4)cc1 1871352976 JWYOVGGOSPYQHW-QQXSKIMKSA-N 439.555 5.877 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O 1871376524 PCELDTZVQPQBNF-QFEZKATASA-N 440.882 6.258 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(O[C@H](C)C(=O)Nc4ccccc4Cl)c3C)C2=O)c1 1871405063 MVVQGTYDTCMTNS-NQRZERFFSA-N 447.918 5.979 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 1871411425 NAMCSDMOSPJLOK-PDESAOGPSA-N 445.490 5.719 30 10 IKEE Cc1c(OCC(=O)N[C@H](C)c2ccccc2)ccc2c1O/C(=C\c1ccc(F)cc1)C2=O 1871424613 PIPBZNDXFBNICW-NQRZERFFSA-N 431.463 5.007 30 10 IKEE C=CCN(CC=C)c1nc(=NCCCCCCCC)[nH]c(=NCCCCCCCC)[nH]1 1871468876 KOQYLFZOZZFSGE-UHFFFAOYSA-N 430.685 5.439 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(C)c(C)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1871911131 NXOZAQQKLPQXFJ-KSFYIVLOSA-N 449.016 5.187 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1cccs1 1871993124 RWNRGCADOSIFMA-FQEVSTJZSA-N 434.627 5.129 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(CC)cc1)[C@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872101163 YYXPQRUZAVQXPW-KOSHJBKYSA-N 442.625 5.096 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cccc(C)c1C)[C@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872523335 GLATWIPDOGVCKX-UZUQRXQVSA-N 446.588 5.063 30 10 IKEE CCCOc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 1872760895 AFZKYBGJOQIMSS-IBGZPJMESA-N 436.533 5.035 30 10 IKEE N#C[C@@H](C(=O)C(c1ccccc1)c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 1872766278 GAJAAXWWCWRTIZ-NRFANRHFSA-N 428.944 6.472 30 10 IKEE Cc1ccc(C)c(-c2csc([C@H](C#N)C(=O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)c1 1872773170 XUFLZYNFBVZTAX-KAGYGMCKSA-N 443.572 5.213 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)C34CC5CC(CC(C5)C3)C4)n2)cc1Cl 1872789540 MPVJJBNMBIJFFR-ULYJJNKVSA-N 426.969 5.865 30 10 IKEE CCCCCCCCCCNC(=O)c1cccc(COc2ccc(C)cc2C(C)(C)C)c1 1872831601 DQPZVWBOCGKNNS-UHFFFAOYSA-N 437.668 7.742 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(CCCC)cc2)=C(c2cccc(Br)c2)C1=O 1873228648 VXJLCQQDQRYLBJ-UHFFFAOYSA-N 439.353 5.170 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1cccc(OCC)c1 1874265239 OADZRMLDNWBPQR-ZMOGYAJESA-N 442.972 5.460 30 10 IKEE C=C(C)CSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1ccc(OCC)cc1 1874287891 CPQZRTZYJWNPBV-YZSQISJMSA-N 440.657 6.691 30 10 IKEE CCSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874321004 VEOJCUDMFNMXLQ-FOKLQQMPSA-N 435.380 5.775 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccccc2)cc1C 1874330972 OBYNUBSKGLKUGQ-OGLMXYFKSA-N 444.579 5.994 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3cccs3)n2/N=C/c2c[nH]c3ccccc23)c1 1874422284 DYCBZGCVEXECSD-VULFUBBASA-N 443.601 6.279 30 10 IKEE O=[N+]([O-])c1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2-c2ccccc2)cc1 1874430277 ATCBHVPATMEAHT-ZVHZXABRSA-N 449.923 5.681 30 10 IKEE C=CCSc1nnc(CC(C)(C)C)n1/N=C/c1ccc(OCc2ccccc2C)cc1 1874439794 SVMJRNACAINISX-YZSQISJMSA-N 434.609 5.914 30 10 IKEE CCOc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2cccc(Cl)c2)cc1 1874440533 GFZAJZUZNKKBCQ-MFKUBSTISA-N 443.016 6.093 30 10 IKEE COc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2cccc(Cl)c2)cc1O 1874440722 PUNVMLORKFCLGH-ZMOGYAJESA-N 444.988 5.409 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCCc2ccccc2)nnc1C1CCCC1 1874456060 YSDLVWOLMAOPFD-LGUFXXKBSA-N 434.609 5.942 30 10 IKEE Cc1cccc(C)c1NC(=O)CSc1nnc(C(C)C)n1/N=C/c1ccccc1Cl 1874513050 DZSBLYCBHHBINU-WYMPLXKRSA-N 441.988 5.285 30 10 IKEE COC(=O)c1ccc(CSc2nnc(C(C)C)n2/N=C/c2cccc3ccccc23)o1 1874513295 QFLDDNGBKFWEFZ-ZMOGYAJESA-N 434.521 5.109 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(S)nnc1COc1c(C)ccc(C)c1C 1874566931 VPVRQYHGOWBVSI-DHRITJCHSA-N 432.549 5.115 30 10 IKEE COc1cccc(C(=O)/C=C/c2c(OCc3cccc(Cl)c3)ccc3ccccc23)c1 1874572547 STXZBEVXNYVUIX-BUHFOSPRSA-N 428.915 6.977 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Br)ccc2OCc2ccccc2C)cc1 1874575152 YJQLFRVRRFFEBQ-UKTHLTGXSA-N 437.333 6.241 30 10 IKEE COc1ccccc1C(=O)/C=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12 1874576999 QMUDBPUUWPCHQT-FOCLMDBBSA-N 428.915 6.977 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCc2cccc(C)c2)cc1 1874577740 CQNFRRKMWDKAJH-JLHYYAGUSA-N 436.935 6.531 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCc3c(Cl)cccc3Cl)c2)cc1F 1874597690 ZUAFDPYTDVVXSZ-CSKARUKUSA-N 431.290 6.616 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Cl)c1OCc1ccc(C)cc1 1874608387 LQTGQQKKZWPKGJ-OUKQBFOZSA-N 441.354 7.176 30 10 IKEE Cc1ccc(COc2ccc(/C=C/C(=O)c3cccc(Cl)c3)cc2Br)cc1 1874612161 FSKDDXRZAYXEEO-PKNBQFBNSA-N 441.752 6.886 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OCc1ccc(C(=O)OC)o1 1874613396 RSFPMYIOQMPBEO-JXMROGBWSA-N 440.879 5.593 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OCC(=O)Nc1cccc(C)c1 1874617754 ROSRSEHBRRBTTN-JLHYYAGUSA-N 443.543 5.924 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 1874703570 WCFPDHPUILKCRV-NTEUORMPSA-N 431.444 5.499 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)CSc1ccccc1 1875119864 QCRZAHSKTOYKAM-FYWRMAATSA-N 448.540 5.688 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cnccn2)c(Br)c1)c1cccc(Cl)c1 1875121556 VMGGZRWOUUEAEP-GQCTYLIASA-N 443.684 5.008 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OC(=O)Cc1ccccc1F 1875127324 YUJPRCCGHXMUHS-OUKQBFOZSA-N 438.882 5.922 30 10 IKEE COc1cccc(C(=O)Oc2c(OC)cc(/C=C/C(=O)c3cc(C)ccc3C)cc2OC)c1 1875138424 VTARQXQBZDMXIN-VAWYXSNFSA-N 446.499 5.445 30 10 IKEE CCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(OC)ccc2OC)cc1Br 1875144364 CCDIZTHBMKPCBV-RMKNXTFCSA-N 433.298 5.068 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OC(=O)C(C)(C)C 1875149055 WDULFHNNBHKGHI-MDWZMJQESA-N 428.956 6.494 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2OC)cc(Cl)c1OC(=O)C(C)(C)C 1875176265 FJDVVMHTLWPEAN-DHZHZOJOSA-N 446.927 5.604 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)CCCSC 1875178798 COKKHNFQYMTHQK-ACCUITESSA-N 438.589 5.985 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)CC(C)C)c(Br)c2)c(C)c1 1875183399 YRDJTSTXSGZKRD-SOFGYWHQSA-N 429.354 6.222 30 10 IKEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)[C@@H](c1ccccc1)C1CCCCC1 1891113578 KUTQTZKAJHOYOY-QHCPKHFHSA-N 429.482 5.568 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1cc(C(F)(F)F)ccc1Br 1922065397 MEACXVVRNIIMTE-LJQANCHMSA-N 428.292 5.892 30 10 IKEE C=C(COCc1ccccc1)[C@H](NC)c1c(Br)cccc1Br 1922107253 KIRNNIZYOHCZAU-SFHVURJKSA-N 425.164 5.245 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1cccc2c1CCCN2C(=O)OC(C)(C)C 1922108033 QSBWKTWHARXKGK-VWLOTQADSA-N 436.596 5.798 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1ccc(Br)cc1C(F)(F)F 1922110998 NFOBXJDEUXIQHM-FQEVSTJZSA-N 442.319 6.282 30 10 IKEE N#Cc1cccc([C@@H](CCNC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)O)c1 1951957916 ZLYWYNZPUHIPHS-FQEVSTJZSA-N 440.499 5.045 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C1(C)C 2013403842 BWLPQYGHIQKUGN-UZUQRXQVSA-N 449.979 5.667 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1(C)C 2068175458 KSPVYQCKCWGIAG-DEOSSOPVSA-N 447.551 5.639 30 10 IKEE COC(=O)c1c(C(C)(C)C)nn(Cc2ccc(F)cc2C(F)(F)F)c1C(F)(F)F 2079024809 HZYFHLMGXQRNMZ-UHFFFAOYSA-N 426.332 5.192 30 10 IKEE CC(C)[C@H](c1ccc(C(F)(F)F)cc1)n1nc(C2(C)CC2)c(C=NO)c1Br 2079894445 ZXEDMXVLBRBAAM-OAHLLOKOSA-N 444.295 5.769 30 10 IKEE Fc1cccc(C(F)(F)F)c1-c1c(C(F)F)nn(C(F)(F)F)c1Br 2080760253 LQODODMRLARANK-UHFFFAOYSA-N 427.064 5.884 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCCO[C@H]1C(C)(C)C 2160258424 PUUAUWVNLCKFEX-UWJYYQICSA-N 437.378 5.678 30 10 IKEE CC(C)(C)OC(=O)N1CCc2cc(Nc3cc(Br)c(C#N)cc3F)ccc21 2162349136 SQVZBKLMMBWTNP-UHFFFAOYSA-N 432.293 5.501 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](Nc2cc(Br)cc(F)c2C#N)C12CCCC2 2163691297 FOSHDSDSLYVMPB-KRWDZBQOSA-N 438.341 5.194 30 10 IKEE C[C@@H]1Cc2ccccc2[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2185484350 FTBWVKCLBBEBOO-QRQCRPRQSA-N 427.342 5.802 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(C#N)c(Br)c2F)C[C@H]1C1CC1 2198268199 ZJULAYZJFQNQGQ-ZBFHGGJFSA-N 438.341 5.050 30 10 IKEE CCCN[C@H](C#CC(C)(C)C)c1cc(Br)ccc1I 2225435028 XTUJWLWHBFHAGW-OAHLLOKOSA-N 434.159 5.144 30 10 IKEE C=CCCC[C@@H](NCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229110258 BRRBYQKJSXMIOX-MOPGFXCFSA-N 425.411 5.219 30 10 IKEE CN[C@@H](C#Cc1ccccc1Br)c1ccc(NC(=O)OC(C)(C)C)c(F)c1 2235716359 FPPDKKPTGUINHG-SFHVURJKSA-N 433.321 5.247 30 10 IKEE CN[C@H](C#Cc1ccccc1Br)CCC(C)(C)CCNC(=O)OC(C)(C)C 2235724542 ILWWYOSDJKTOSV-GOSISDBHSA-N 437.422 5.110 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)CCCCCNC(=O)OC(C)(C)C 2235733828 VDRSBUYCFKBMRR-IBGZPJMESA-N 437.422 5.254 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(F)c(C(=O)N(Cc2ccccc2)[C@@H](C)C(C)C)c1 2267533665 WEWLLRYRPYZTEJ-IBGZPJMESA-N 439.380 5.120 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)Nc2ccc(OCc3ccccc3)cc2)s1 2267579627 VXDFUIAKSKFGBN-UHFFFAOYSA-N 449.381 5.187 30 10 IKEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@H](CC(C)(C)C)NC(=O)OC(C)(C)C 2296216762 NKARRVXCDCECEX-OALUTQOASA-N 437.422 5.108 30 10 IKEE CC[C@H](CCNC(=O)OC(C)(C)C)CC[C@@H](C#Cc1cccc(Br)c1)NC 2296217497 VGGUFRXOFMJODU-PXNSSMCTSA-N 437.422 5.110 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc(CC[C@H](N)C#Cc2cccc(Br)c2)c1 2296232561 OQWDMXYDWMKYOM-LJQANCHMSA-N 429.358 5.108 30 10 IKEE CC(C)(C)OC(=O)NC1CCC(CC[C@H](O)C#Cc2ccc(Br)cc2)CC1 2296288544 IKMVGGIRTHZVJL-LYBXBRPPSA-N 436.390 5.025 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)CCC[C@@H](C)NC(=O)OC(C)(C)C 2296310781 NSXQFUIXTIXDGG-XLIONFOSSA-N 437.422 5.252 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)C(=C(O)c4ccc(C)o4)[C@H]3c3ccc(C)o3)sc2c1 2296551022 FBLPMMQKFOSGMI-HXUWFJFHSA-N 448.500 5.288 30 10 IKEE Cc1ccc2nc(O)c(C(=O)C=Cc3ccc(Br)cc3)c(-c3ccccc3)c2c1 2297296707 VPOOTIZUKSQPMW-UHFFFAOYSA-N 444.328 6.574 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)c1 2302796190 PTIAXSLNQVZTMZ-SLFFLAALSA-N 429.561 5.322 30 10 IKEE O=C(CCSc1n[nH]c(NN=CC=Cc2ccccc2)n1)Nc1cccc2ccccc12 2313800506 WNOXLXZVUAGYOM-UHFFFAOYSA-N 442.548 5.190 30 10 IKEE SCC1(COc2cc(Br)cc(I)c2)CCCCC1 2316686803 WAUBTCYAARFNMJ-UHFFFAOYSA-N 441.172 5.313 30 10 IKEE CCCCCOc1ccc(C=Nn2cnnc2SCc2ccc(C)cc2)cc1OCC 2318573927 ASGNMOLQEUHAJR-UHFFFAOYSA-N 438.597 5.729 30 10 IKEE Cc1ccccc1COc1ccc2c(c1C)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2321741727 KCLLZYBUBARZHN-UHFFFAOYSA-N 432.519 7.166 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCc4c(F)c(F)c(F)c(F)c4F)cc(C)c3C2=O)cc1 2321810826 PMVLVUWOJMZLBW-UHFFFAOYSA-N 446.371 6.194 30 10 IKEE COc1ccc(C=Nn2c(S)nnc2C2CC2)cc1OCc1ccc(Cl)cc1Cl 2321888589 XOWQRVFFLOTHNN-UHFFFAOYSA-N 449.363 5.221 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1cccc(Cl)c1)C3=O)CN([C@@H](C)c1ccccc1)CO2 2322371232 FIXNMDUGGMUMIX-KRWDZBQOSA-N 431.919 6.178 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2c(Cl)cccc2Cl)cc1 2322457308 SYWFDRZYPZWQAT-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccc(C)c(C)c2)cc1 2322549523 PZIAGPSVAATKSA-UHFFFAOYSA-N 429.516 5.616 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccc(C(=O)OC)o2)cc1 2322557767 SWRUSQMMJDXYPF-UHFFFAOYSA-N 440.879 5.593 30 10 IKEE Cc1cc(OC(=O)c2cc3ccccc3o2)cc2c1C(=O)C(=Cc1ccc(C(C)C)cc1)O2 2322843425 FLQLAJDIGXCGEG-UHFFFAOYSA-N 438.479 6.700 30 10 IKEE Cc1cc(OC(=O)c2cc3cc(Cl)ccc3o2)cc2c1C(=O)C(=Cc1cccs1)O2 2322845638 QTHRYJJRLDVHDK-UHFFFAOYSA-N 436.872 6.292 30 10 IKEE CCCCCCCCCOc1ccc(C=NNc2ccc(F)cc2)cc1Br 2322953378 KCYFJZKPDNHLPR-UHFFFAOYSA-N 435.381 7.164 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2Cl)cc1OCC(=O)Nc1ccc(C)cc1 2323087061 DETDWYPJGBRVIP-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE Cc1ccc(NC(=O)COc2cccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)c2)c(C)c1 2323259560 WDBPWKRJWLHCFW-UHFFFAOYSA-N 441.571 6.451 30 10 IKEE Cc1cc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2Cl)C3=O)ccc1[N+](=O)[O-] 2323279647 NAOAWDIJWGVLMX-UHFFFAOYSA-N 449.846 5.700 30 10 IKEE Cc1c(OC(=O)Cc2cc(Cl)ccc2Cl)ccc2c1OC(=Cc1cccs1)C2=O 2323404473 PLSDOZWWGCESOX-UHFFFAOYSA-N 445.323 6.128 30 10 IKEE COc1cc(C=Nn2c(C)nnc2SC)ccc1OCc1c(Cl)cccc1Cl 2323561790 RQBVNDHREGAGOP-UHFFFAOYSA-N 437.352 5.085 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1ccccc1Cl 2323603242 DIXIWKNNZFBWAV-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)Oc1ccc2c(c1)OC(=Cc1ccccn1)C2=O 2323672190 XDFFRFXQVZRAEW-UHFFFAOYSA-N 442.254 5.232 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O)c1ccc(-n2cccc2)cc1 2323675384 IONYCIHBFDCNJV-UHFFFAOYSA-N 425.415 5.452 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OCc1c(F)cccc1Cl 2323775022 PMKVVZMPMMBJQP-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE CC(C)c1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccc(F)cc4)ccc3C2=O)cc1 2324305852 UZXSFAIXSNXOJB-KRWDZBQOSA-N 445.490 5.971 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(O[C@H](C)C(=O)Nc4ccccc4Cl)c3C)C2=O)cc1 2324395023 LRQJPEDWRCVURE-QGZVFWFLSA-N 447.918 5.979 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)c1 2324455474 BCKKPPYNKWDFKA-QGZVFWFLSA-N 447.918 5.979 30 10 IKEE N#C[C@H](C(=O)C=Cc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2324534963 UBJQHVCIXCQCTP-OAHLLOKOSA-N 444.299 5.915 30 10 IKEE COc1cccc(C=C2Oc3cc(OCCCCOc4cccc(C)c4)cc(C)c3C2=O)c1 2324571162 QMKDGMQKGHNQAT-UHFFFAOYSA-N 444.527 6.166 30 10 IKEE CCCNC(=O)COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1OCC 2324665922 YBQUTOPQZDIJKD-UHFFFAOYSA-N 436.335 5.193 30 10 IKEE CCCC[C@@H](Oc1ccc2c(c1)OC(=Cc1cccc(Br)c1)C2=O)C(=O)O 2324778086 XMZGCWCBKBTXEY-QGZVFWFLSA-N 431.282 5.088 30 10 IKEE CCCCCOC(=O)COc1ccc2c(c1C)OC(=Cc1ccc(Cl)cc1Cl)C2=O 2325045224 UJWZAFQCJDGBFS-UHFFFAOYSA-N 449.330 6.030 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(C(F)(F)F)cc2)c1)c1ccc2ccccc2c1 2325700717 USGUIOJNBSOBED-UHFFFAOYSA-N 446.424 6.974 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3ccc(C)cc3C)c2)cc1 2325734606 CNQBRMUVZDLPDA-UHFFFAOYSA-N 430.500 5.583 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(N(C)C)cc3)c2)cc1Cl 2325769368 ZUAINLJAQCALHG-UHFFFAOYSA-N 435.907 5.530 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1C 2325771307 AKGAYRRFSRNGQQ-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1cccc(C)c1 2326017298 HHFWQUDZDLWBJO-UHFFFAOYSA-N 426.973 5.412 30 10 IKEE Cc1cc(C)cc(CSc2nnc(Cc3ccccc3)n2N=Cc2cccc(F)c2)c1 2326421518 OLOGUZPIPTYQTC-UHFFFAOYSA-N 430.552 5.799 30 10 IKEE CCOc1ccc(C=Nn2c(C)nnc2SCc2c(F)cccc2Cl)cc1Cl 2326567827 HIZJGSPFZBLSKD-UHFFFAOYSA-N 439.343 5.606 30 10 IKEE CCCSc1nnc(COc2ccccc2OCC)n1N=Cc1ccccc1Cl 2326848567 KOTUORMOAGMWJS-UHFFFAOYSA-N 430.961 5.294 30 10 IKEE C(=Nn1c(CC23CC4CC(CC(C4)C2)C3)nnc1SCc1ccccc1)c1cccs1 2326912676 IUDVQPNOGRPERK-UHFFFAOYSA-N 448.661 6.273 30 10 IKEE C=CCSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1ccccc1Cl 2327383536 OXBJNTXKDYCKOA-UHFFFAOYSA-N 426.973 5.623 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCCO)nnc1C1CCC(CCCC)CC1 2328205104 XUIRLZCMTJSLPE-UHFFFAOYSA-N 442.629 5.274 30 10 IKEE CCCSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(Cl)cc1Cl 2329602970 AVCZWDMQMZZECN-UHFFFAOYSA-N 425.772 6.290 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2[C@@H](C)c2ccccc2)cc1 2330063785 PTGMUPQKJCEAAC-SFHVURJKSA-N 446.551 5.752 30 10 IKEE Clc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccccc2)cc1 2330270058 ROPGQICULUXUPY-UHFFFAOYSA-N 425.001 6.229 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(SCc2ccccc2)nnc1-c1ccccc1 2330671016 MDINWSAYHHREIS-UHFFFAOYSA-N 428.561 5.907 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)cc([N+](=O)[O-])c1OC(=O)CC(C)(C)C 2330794251 JTERBYPOZYOMSO-UHFFFAOYSA-N 441.480 5.240 30 10 IKEE Brc1ccc(C=Nn2c(SCc3ccccc3)nnc2[C@@H]2CCCO2)cc1 2330953431 VSTFTTFAIGLUBQ-SFHVURJKSA-N 443.370 5.067 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3C)c([N+](=O)[O-])c2)cc1 2330970777 FIYPPZZJYAHQLM-UHFFFAOYSA-N 445.471 5.346 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCCc2ccccc2)nnc1C(F)(F)F 2331141883 XBVNWZWRLQROCU-UHFFFAOYSA-N 432.471 5.079 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3)c(Cl)c2)cc1 2331300892 XQJHROXJTNNACD-UHFFFAOYSA-N 438.882 6.383 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2)ccc1F 2331333011 LQYXKFGAUHMPAO-UHFFFAOYSA-N 444.458 5.396 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3OC)cc2OC)c1 2331376813 ZFOXPWSOXGZXEF-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1Cl 2331398762 JINIKVYDFVOCRT-UHFFFAOYSA-N 434.875 5.535 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCO4)cc2)CC1 2331432483 BVDIBFIOVBRIJQ-UHFFFAOYSA-N 434.532 6.213 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(F)c3)cc2OC)cc1 2331467684 UISVMBUOUOKCJA-UHFFFAOYSA-N 434.463 5.521 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2C2CCC2)cc1 2331480678 FFSXKPRNSXCUDX-UHFFFAOYSA-N 448.636 6.598 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3cccs3)c([N+](=O)[O-])c2)c1C 2331648910 XDVIKHLQMWYKSA-UHFFFAOYSA-N 449.528 5.934 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)COCc3ccccc3)c([N+](=O)[O-])c2)cc1C 2331707346 RXTHAURHKWYKBZ-UHFFFAOYSA-N 445.471 5.230 30 10 IKEE COC(=O)c1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C(C)C)cc1 2331708345 FBEIRTUIOQKYQZ-UHFFFAOYSA-N 428.945 5.016 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)C3CC3)c(OC)c2)c(OCC)c1 2331731094 WAHPOWMRZCCNJS-UHFFFAOYSA-N 444.911 5.358 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(Cl)ccc2OC)cc(OC)c1OC(=O)C(C)C 2331883181 PFKFMCSNQBMXKC-UHFFFAOYSA-N 428.912 5.543 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2OC)ccc1OC(=O)c1cncc(C)c1 2331885233 RHPPLMADFSPLLK-UHFFFAOYSA-N 437.879 5.176 30 10 IKEE Cc1cc(CN(Cc2ccccc2)[C@H](C)c2cccs2)ccc1B1OC(C)(C)C(C)(C)O1 2343691802 BJLKOMIBOVSJRV-OAQYLSRUSA-N 447.453 6.119 30 10 IKEE CC1(C)OB(/C=C/c2ccc(N[C@@H]3CC[C@H]4CN(Cc5ccccc5)C[C@@H]43)nc2)OC1(C)C 2365054767 YGJVXDPDLMFCEG-YZCASHKYSA-N 445.416 5.049 30 10 IKEE COc1ccc(Br)c(/C=N/c2ccc3oc(-c4ccccc4C)nc3c2)c1O 1501548 WVQJMFMWWIUDDV-WYMPLXKRSA-N 437.293 6.031 30 10 IKEE biogenic Cc1sc(NC(=O)c2ccccc2C(=O)Nc2sc(C)c(C)c2C#N)c(C#N)c1C 3087679 BATXYLOKBNASDX-UHFFFAOYSA-N 434.546 5.291 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)/C=C\c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1 6459936 JTKVWSABDAHHAV-NSXGMPHASA-N 440.455 5.086 30 10 IKEE Cc1nc2n(n1)[C@H](c1cc(F)cc(F)c1)C1=C(C[C@H](c3ccc(C(C)C)cc3)CC1=O)N2 17098812 ZQVPXGXHBISGGP-BXKMTCNYSA-N 434.490 5.404 30 10 IKEE COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@@H]3c2ccccc2C)cc1 17099616 LIFPMYNMWAFGEK-UZTOHYMASA-N 435.527 5.769 30 10 IKEE Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(-c4cccc([N+](=O)[O-])c4)c32)cc1 20849697 WPTSZLWFLAHUPM-HXUWFJFHSA-N 428.492 5.494 30 10 IKEE O=C1NC(=N/c2ccc(Cl)cc2)/C(=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)S1 33567626 KMGXZZXFDNFDGV-ZDLGFXPLSA-N 449.746 7.434 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1 34954571 PFPGKLXICUJDQU-AWQFTUOYSA-N 434.491 6.478 30 10 IKEE C/C(=C1/S/C(=N/c2nc(C)cs2)N(C2CCCCC2)C1=O)c1ccc(C)c(C)c1 39865650 VAZHJIUEEXXRMZ-QPZGOECCSA-N 425.623 6.395 30 10 IKEE C=CCNc1nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)nc2ccccc12 41150838 PPXPGLRSFIXOAW-UHFFFAOYSA-N 435.575 5.139 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4cccc(OC)c4)c3C)C2=O)cc1 41287481 XGBWPCFEVOIYJP-UCQKPKSFSA-N 430.456 5.238 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(C(C)(C)C)cc4)c3C)C2=O)cc1 41288382 GQCXWDWNRFJXJV-JLPGSUDCSA-N 426.512 6.436 30 10 IKEE Cc1cc(OCc2c(F)c(F)c(F)c(F)c2F)cc2c1C(=O)/C(=C/c1ccccc1)O2 41436088 JFIGQARCSHQVHG-PXNMLYILSA-N 432.344 5.886 30 10 IKEE CCc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3ccc(C)cc3)C4)C2=O)cc1 41588019 SPJPJDFKUZOFJL-MXAYSNPKSA-N 425.528 5.834 30 10 IKEE CCCCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N/c1cc(C)ccc1C 100175705 OEGIXPLFORDYJK-DIQLGICBSA-N 437.634 6.468 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1cccc(C(=O)NC(C)C)c1 100444130 ROMWJBXDCCMFKN-UHFFFAOYSA-N 447.689 6.339 30 10 IKEE Cc1cccc(N2C(=O)C(=O)/C(=C(\O)c3ccccc3)[C@@H]2c2ccc(Br)cc2)c1 102569886 PYMUSMSFXJNWAN-AGGMBTAESA-N 448.316 5.384 30 10 IKEE COc1ccccc1[C@@H]1/C(=C(/O)c2ccccc2)C(=O)C(=O)N1c1ccc(C)c(Cl)c1 102589440 JAXAOKXPROZBAT-RKKARLDVSA-N 433.891 5.283 30 10 IKEE N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)/C=C(/c2ccccc2)C(F)(F)F)cc1 110678423 XTIQHUCDJDRPCM-UCQKPKSFSA-N 438.424 5.872 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2cccc(C)c2)cc1 169922878 FNCFUYOKKCOZAT-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3cccs3)cs2)cc(Cl)c1OCC(C)C 169941917 QJZIUUJNICJENP-YVNNLAQVSA-N 436.002 6.405 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccccc2OC)cc1 169942423 TXBLBQNAQYBSFQ-SANMLTNESA-N 441.527 5.360 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1ccc(C)c(C)c1 169943235 IWCSGXBMZXDAOF-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE O=C(C1=C(O)C(=O)N(c2nc3cc(F)ccc3[nH]2)[C@@H]1c1ccccc1)c1cccc(Cl)c1 170056359 PQNXTXNXZRAIQH-HXUWFJFHSA-N 447.853 5.138 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(Cl)cc2)s1 170056926 TWJZJOULUQNIKE-QGZVFWFLSA-N 444.965 5.253 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(F)cc2)cc1 170061858 BRXGNJGKTUPYAR-DEOSSOPVSA-N 445.490 5.488 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1c[nH]c2ccccc12)c1cc2ccccc2o1 170076684 XZOTZWLGESBCGH-QHCPKHFHSA-N 438.439 5.286 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccco2)cc1 170090786 GIIROVPMKBXFQT-NRFANRHFSA-N 446.459 5.268 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccco2)ccc1F 170096089 YWUUFRGETYMWJF-QHCPKHFHSA-N 444.462 5.029 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(OC)cc1 170116421 OTPFDNLZGHYBCN-QHCPKHFHSA-N 437.536 5.027 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@@H]1c1cccc(OC)c1 170121144 CNOVQWBAZCRLPG-NRFANRHFSA-N 443.927 5.126 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2c2ccccc2)c1 170141586 OLJAIGVXAWAGQA-DEOSSOPVSA-N 427.500 5.565 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(C)c2)cc1C(C)C 170148475 GOBQHMZFIJFXPV-RUZDIDTESA-N 447.575 5.956 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccccc2)cc1Cl 170225813 ULIVNEPVXXGQMY-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2)cc1 170226234 OEUQTPJKUVQLGU-XMMPIXPASA-N 427.500 5.504 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2c(OC)cccc2OC)[C@@H]1c1ccc(C(C)C)cc1 170245311 FAZNMFWNVZDAQA-QHCPKHFHSA-N 437.536 5.206 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2F)cc1C 170249476 YTJAQMPERIIUIK-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2ccc(CC)cc2)cc1 170267993 WJCWEYPYXWXTDO-XMMPIXPASA-N 435.564 5.806 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1cn(C)c2ccccc12 170269292 NZIWBMATVOIFKG-XMMPIXPASA-N 446.547 5.344 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(C)o2)cc1C 170302916 DJWHXXZCWNBWMS-HSZRJFAPSA-N 431.488 5.468 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2cc(Cl)ccc2O)[C@H]1c1ccc(C(C)(C)C)cc1 170470357 JYFPIDXDYXLYFR-QFIPXVFZSA-N 441.955 5.858 30 10 IKEE CC/N=C1\C[C@@H]2Oc3cc(NCC)c(C)cc3[C@H](c3ccccc3C(=O)OCC)[C@H]2C[C@@H]1C 199291618 YLTLQPNBMWEMHP-MAWPFEHFSA-N 448.607 6.003 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/Oc3ccc(C)cc3C2=O)cc1OC 213992156 YMMNQUPMFLQYPA-MFKUBSTISA-N 438.483 5.481 30 10 IKEE C=CCc1cc(/C=C2\SC(=Nc3ccccc3)N(C3CCCCC3)C2=O)cc(OC)c1O 252613255 JACQLCOQEXLMCM-XMIRZNSJSA-N 448.588 6.066 30 10 IKEE S=C(NN=Cc1ccc(Cl)cc1Cl)NC1c2ccccc2Oc2ccccc21 252628295 SMYQABHVRVYBGC-UHFFFAOYSA-N 428.344 5.687 30 10 IKEE C=C(COCC)[C@@H](NCCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 407160123 OQAQQSYSSSCZCB-GOSISDBHSA-N 427.383 5.430 30 10 IKEE CCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1cn(CC)c2ccccc12 526805321 DSSDEJWJLQDAIX-YUMHPJSZSA-N 445.636 6.287 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1cccc(Cl)c1Cl 526807318 USWIMNISSSNYLQ-YVNNLAQVSA-N 425.772 5.975 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1c(C)n(CC)c2ccccc12 526808955 DPFPXEKRAPFDQL-YUMHPJSZSA-N 445.636 6.305 30 10 IKEE Cc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1cc(Cl)c(O)c(Cl)c1O 526811225 FLXRBZDEVZHUFD-YXSASFKJSA-N 443.743 5.132 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1cccc([N+](=O)[O-])c1 526817870 DCGJPJSSXZDUHA-FMCGGJTJSA-N 447.923 5.496 30 10 IKEE CCCCc1nnc(SCc2ccc(Br)cc2)n1/N=C\c1ccccc1C 526820216 MHAMRCTWSGDKHA-UCQKPKSFSA-N 443.414 5.866 30 10 IKEE CCCCCCCOc1ccccc1/C=N\n1cnnc1SCc1ccc(C#N)cc1 526823428 VHZQNKDWXOWLRT-PKAZHMFMSA-N 433.581 5.673 30 10 IKEE C=CCN(CC=C)C(=O)Nc1ccc(C(=O)N(Cc2ccccc2)c2ccccc2)cc1 586652966 MKAGTLSKDAMWRZ-UHFFFAOYSA-N 425.532 5.740 30 10 IKEE Cc1cc(C)c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)c(C)c1 698443385 IXBRNPULUJTFEF-LJQANCHMSA-N 429.358 6.381 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@]1(C#N)C[C@@H]2C[C@@H](CN2Cc2ccccc2)C1 716619151 BTFSGKBVWCODNH-SEIBCYHCSA-N 435.543 5.514 30 10 IKEE C=CCC1([C@H](NCC)c2c(F)cc(Br)cc2F)CN(C(=O)OC(C)(C)C)C1 722942293 QHHKHQIBPZIBRW-QGZVFWFLSA-N 445.348 5.191 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C1 724029037 OTAYWDZRKBSKEV-GAJHUEQPSA-N 449.979 5.811 30 10 IKEE C=C1CCC(C[C@H](NCC)c2ccc(Br)cc2NC(=O)OC(C)(C)C)CC1 724563885 RRQSPUNKPDBFNC-IBGZPJMESA-N 437.422 6.583 30 10 IKEE C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc3c(c2)CCCC3)[n+]2cc(O)ccc2C)c1 726572543 ADYBJKYOMDCXFM-UHFFFAOYSA-O 441.576 5.172 30 10 IKEE C=CCOc1ccc(Br)cc1NC(=O)c1cc(-c2ccccc2)c(C)nc1O 1642402247 SUWAFRRYLAJMMJ-UHFFFAOYSA-N 439.309 5.342 30 10 IKEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCC(n2c(O)nc3ccccc32)CC1 1722604742 JQKBNYBGQAXJJQ-UHFFFAOYSA-N 436.604 5.120 30 10 IKEE CCN1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2)SC1=Nc1ccccn1 1772732683 YRZPMMBULSBERG-ZJRBDENDSA-N 449.963 5.938 30 10 IKEE C=CCOc1ccccc1/C=C1\SC(=Nc2cccc(C)n2)N(c2ccccc2)C1=O 1772739004 UJVWSOVOLHQTJH-UECNKTLHSA-N 427.529 5.763 30 10 IKEE N#Cc1cccc(NC(=O)Oc2cccc3c(NC(=O)COc4ccccc4)cccc23)c1 1858772780 ZXSHCKYAAOJVMP-UHFFFAOYSA-N 437.455 5.340 30 10 IKEE N#Cc1cccc(C(=O)Nc2cc(NC(=O)CCC(=O)c3ccccc3)ccc2Cl)c1 1860455707 PHSZIZLVNWTQKT-UHFFFAOYSA-N 431.879 5.066 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](C)NC(=O)COc1cc(Cl)ccc1Cl 1861646938 XLUIBHFWDSOMNW-MRXNPFEDSA-N 431.404 5.134 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)COc1ccc(Cl)cc1Cl 1861672675 PHWCLLWDDFVRED-IBGZPJMESA-N 445.431 5.524 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@@H]2c2cccc(F)c2)cc1OCCC 1862425828 GYSRQUAMZMIZLW-JOCHJYFZSA-N 441.499 5.002 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc(Br)c1 1862438488 BSSYSHQMDYFQEM-XIKOKIGWSA-N 448.744 5.479 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1c(Cl)cccc1Cl 1862443517 MLNAXCQURWTLAP-BBATYDOGSA-N 438.738 6.024 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2ccccc2C)ccc1F 1862507754 SSPRHODAFWQZDK-JOCHJYFZSA-N 435.520 5.325 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(C(=O)O)cc2)cc1 1862534236 RKQCWZUJDADQFB-HSZRJFAPSA-N 447.531 5.248 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(N)c2)=C(O)C(=O)N1Cc1ccc(Cl)cc1 1862554403 BRSPGIHALLTIBE-QFIPXVFZSA-N 432.907 5.009 30 10 IKEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2ccc(C)cc2)cc1 1862589396 KOSYLIMGSAHDGK-OSPHWJPCSA-N 443.499 5.049 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 1862620509 UAAMYPLOZHTBJE-QHCPKHFHSA-N 449.591 5.242 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C2CCCCC2)cc1 1862628625 COHDAYYIPQHZKL-XMMPIXPASA-N 447.531 5.450 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccc1 1862648463 BOTCHUOCKVOTRH-NVQXNPDNSA-N 441.571 6.777 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc2ccccc12 1862653121 PHYMOAYRLAWKGE-MHZLTWQESA-N 449.550 6.617 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccccc1 1862660112 HZTLDKHQGBYFDE-ILBGXUMGSA-N 433.592 6.747 30 10 IKEE COc1cc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCC(C)C)ccc1O 1862720253 UHWLUXIUPQMUKH-XMMPIXPASA-N 445.515 5.178 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862727855 NUECBOQMGCUIBW-QHCPKHFHSA-N 442.471 5.250 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)=C(O)C(=O)N1C1CCCCCC1 1862737654 ZNZGKNYZEJNALC-JOCHJYFZSA-N 434.492 5.204 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1C 1863254013 IEXNRVOSCLMYDK-UHFFFAOYSA-N 441.918 5.221 30 10 IKEE CCCCCCCCNC1=C(c2ccc(OC(C)C)cc2)C(=O)N(Cc2ccccn2)C1=O 1863689712 BAUCRFAROMTGIQ-UHFFFAOYSA-N 449.595 5.099 30 10 IKEE CCCCCCCCNC1=C(c2cccs2)C(=O)N(CCc2c[nH]c3ccccc23)C1=O 1863795832 VGFTVORPIFPVML-UHFFFAOYSA-N 449.620 5.502 30 10 IKEE Cc1ccc(-c2nc(Nc3ccc(C(=O)Oc4ccccc4C#N)cc3)sc2C)cc1C 1865788833 MFYPQWRCACTPAH-UHFFFAOYSA-N 439.540 6.570 30 10 IKEE CCCC[C@H](NC(=O)C[C@@H](c1ccc(F)c(C)c1)C(C)C)C(=O)Nc1ccccc1C#N 1866766406 NEWZCUCYZJCPAQ-QPPBQGQZSA-N 437.559 5.449 30 10 IKEE C[C@H](NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnc(-c2cccc(F)c2)o1 1868039524 RZFFXPZDWDKGRY-VIFPVBQESA-N 447.310 5.404 30 10 IKEE CC(C)(C)c1cccc(-n2nnc(C#N)c2NC(=O)[C@H](Cc2ccccc2)c2ccccc2)c1 1870147988 PWBRTTPNISQJQB-XMMPIXPASA-N 449.558 5.401 30 10 IKEE CCCCCCCOc1cn(CCCN(CC)CC)c(CSc2ncccn2)cc1=O 1870251330 DDCYRPLNWXZQNX-UHFFFAOYSA-N 446.661 5.012 30 10 IKEE CCCCCCCCCCn1cc(OCC)c(=O)cc1CNc1ccc(OC)c(OC)c1 1870785326 OVPQHCVVKCAENG-UHFFFAOYSA-N 444.616 6.017 30 10 IKEE C=CCOc1cn(C[C@@H](O)c2ccc(Cl)cc2)c(CNc2cccc(Cl)c2)cc1=O 1870813125 XMZZUPVIUCKFRL-JOCHJYFZSA-N 445.346 5.066 30 10 IKEE CCCCCCCOc1cn(CCCOC)c(CNc2ccc(OCC)cc2)cc1=O 1870830381 LPCSOOHLMMWYPK-UHFFFAOYSA-N 430.589 5.245 30 10 IKEE C=CCn1cc(OCCOC(C)C)c(=O)cc1CNc1ccc(Oc2ccccc2)cc1 1870986978 LEGRISSXTHSCQX-UHFFFAOYSA-N 434.536 5.243 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871367091 XPUFCXRFDXANRM-IWIPYMOSSA-N 444.483 5.303 30 10 IKEE O=C(CCCOc1ccccc1)Oc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O 1871371559 WTKVAXLNBJBQKC-HAHDFKILSA-N 434.875 5.721 30 10 IKEE Cc1cc(OC(=O)/C=C/c2ccc(Cl)cc2)cc2c1C(=O)/C(=C/C=C/c1ccccc1)O2 1871375046 PWJXNASOSCZIEH-RAQOLIENSA-N 442.898 6.440 30 10 IKEE CCCCC(=O)Oc1ccc2c(c1C)O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O 1871385052 CRUKLMUGLJBZBL-GRSHGNNSSA-N 428.868 5.227 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4cccc(OC(=O)C(C)C)c4)ccc3C2=O)cc1 1871390024 ANNFLPWRNTWBAX-CFRMEGHHSA-N 442.467 5.392 30 10 IKEE CN(Cc1c(O)ccc2c1O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O)C1CCCCC1 1871393315 CWQZPSMIKXOXTK-MTJSOVHGSA-N 432.347 6.080 30 10 IKEE CCCCCCOc1cc(C)c2c(c1)O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O 1871399099 AFEZXSZXQUXZJT-NHDPSOOVSA-N 428.912 6.090 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccccc2)C3=O)c1 1871412683 ZBKXOMOEWQPVLR-OQLNFPPLSA-N 427.500 5.634 30 10 IKEE Cc1cc(OCCOc2ccc(Cl)cc2)cc2c1C(=O)/C(=C/C=C/c1ccccc1)O2 1871414434 GPBYQEPQQJFIKW-ABVWVXPPSA-N 432.903 6.279 30 10 IKEE N#Cc1ccc(COc2ccc3cc(-c4nc(-c5ccccc5)cs4)c(=O)oc3c2)cc1 1871418074 VLOLEHOREIMPCI-UHFFFAOYSA-N 436.492 6.034 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OCC(=O)C(C)(C)C)ccc3C2=O)c2cc(OC)ccc21 1871419113 FMZURNRGFPEDTN-KSEXSDGBSA-N 433.504 5.280 30 10 IKEE CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2cccc(C)c2)C3=O)c1 1871425400 DHFZLNKLUFQLQA-BMLZXRGUSA-N 441.483 5.220 30 10 IKEE Cc1cc(OCc2c(Cl)ccc(Cl)c2Cl)cc2c1C(=O)/C(=C/c1ccco1)O2 1871428001 CLAXVWWLGKZNQE-LSCVHKIXSA-N 435.690 6.743 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OCc4nc(O)c5ccccc5n4)c3C)C2=O)cc1 1871430420 KEWOIAIJANBQGJ-UCQKPKSFSA-N 438.483 5.401 30 10 IKEE CCCN(CCC)C(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccccc1Cl)C2=O 1871431066 SXIOTJVNUMOFQI-BKUYFWCQSA-N 427.928 5.292 30 10 IKEE Cc1c(O[C@H](C)C(=O)Nc2ccc(C#N)cc2)ccc2c1O/C(=C\c1cccc(F)c1)C2=O 1871435789 CAUHHPJTPFTUKX-GEWRUKCFSA-N 442.446 5.028 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2cccc(F)c2)C3=O)cc1C 1871459614 TYARCLSVUXRTQU-QRVIBDJDSA-N 431.463 5.385 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCc4cc(=O)oc5ccc(C)cc45)c3C)C2=O)cc1 1871460681 ZRJBKCZMKGRROV-MXAYSNPKSA-N 438.479 5.913 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(C)c(C)c2)[nH]c(N2C[C@H](C)C[C@@H](C)C2)n1 1871526117 FLKZRPWANVSWHS-WOJBJXKFSA-N 438.664 5.909 30 10 IKEE CCCCCCCCCCN=c1nc(N2C[C@H](C)C[C@@H](C)C2)[nH]c(=Nc2ccccc2)[nH]1 1871602073 ZYRCRDSNLSJMAC-FGZHOGPDSA-N 438.664 5.494 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1cccs1 1871870942 DTEDGYBQWPYNKP-GOSISDBHSA-N 441.018 5.022 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(C)c(C)c1)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 1871898986 DVPSHAHWOYPHOA-VWLOTQADSA-N 448.588 5.169 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[C@@H](C)CC)S(=O)(=O)CCCC 1872026558 UIHQDIASXPBXSI-SIKLNZKXSA-N 436.662 5.345 30 10 IKEE C=CCN([C@H](C)C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)S(=O)(=O)c1cccs1 1872320971 UJNDHWHQMFMLHT-QGZVFWFLSA-N 434.627 5.199 30 10 IKEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccc(C)cc1 1872444276 ZYQRNFJUMCFGLK-DEOSSOPVSA-N 442.625 5.349 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1cc(C)ccc1C 1872529620 IMWCSEXINMYONN-HSZRJFAPSA-N 442.625 5.294 30 10 IKEE N#C[C@@H](C(=O)/C=C/c1ccc(F)cc1)c1nc(-c2cccc(Br)c2)cs1 1872763160 GKXUKMYGTKGTAT-NADMHLTPSA-N 427.298 5.601 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccc(Cl)cc3)n2)cc1 1872768471 UBHCELLFBWGDEA-IFXJQAMLSA-N 426.925 5.506 30 10 IKEE COc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1 1872786248 FYJZBIGXVDTWHB-AIADIJKESA-N 438.936 5.679 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Br)cc2C)=C(c2c(C)cc(C)cc2C)C1=O 1873330984 YNLAVWUJDNLFRA-UHFFFAOYSA-N 439.353 5.061 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(C(C)C)cc1)n2CC 1873619809 OMQZYUINZCNOKA-UHFFFAOYSA-N 435.616 6.599 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C(C)C)cc2)cc2c(NCc3ccccn3)ncnc21 1873633507 PTWZIGCTQGLQEY-UHFFFAOYSA-N 426.524 5.000 30 10 IKEE C=CCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccc[nH]1 1874193931 OPYZKGSAYQHGQG-ZVHZXABRSA-N 429.977 5.048 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccc(C)c(C)c3)n2/N=C/c2ccccc2)c1 1874319369 NIXQKVIXNCMOPL-JVWAILMASA-N 442.588 5.957 30 10 IKEE Cc1ccc(/C=N/n2c(CCOc3ccccc3)nnc2SCc2ccccc2F)cc1 1874346557 VDIBFGBRGRHKKJ-WPWMEQJKSA-N 446.551 5.522 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2Cl)cc1C 1874358420 GUSQCHBFHLWOSS-JVWAILMASA-N 447.007 6.314 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(F)cc1 1874393851 BYJQMYVAHNGQIP-JEWIKEISSA-N 434.515 5.883 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2ccccc2)n1/N=C/c1ccccc1O 1874397028 XJYPWJIDIIMUFJ-YZSQISJMSA-N 428.561 5.252 30 10 IKEE Clc1cccc(CSc2nnc([C@H]3CCCO3)n2/N=C/c2c[nH]c3ccccc23)c1 1874450606 GQKFZLMLFUUAJQ-ORBAKXMTSA-N 437.956 5.439 30 10 IKEE COc1cccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C2CCCC2)c1 1874457902 NJDYDKVMMLZCPX-DHRITJCHSA-N 444.963 5.911 30 10 IKEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2-c2ccco2)cc1 1874464400 HYUYMZYBYQZHOW-AFUMVMLFSA-N 445.548 5.076 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2C(C)(C)C)cc1 1874481127 NERDYTXZQDZKGX-YZSQISJMSA-N 436.625 6.237 30 10 IKEE Cc1ccc(CSc2nnc(CC(C)C)n2/N=C/c2ccc(Cl)c(Cl)c2)cc1 1874486454 SITXFEBHQUPDCM-WYMPLXKRSA-N 433.408 6.266 30 10 IKEE Sc1nnc(Cc2ccccc2)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874558987 MXEUFKPITFKORZ-MFKUBSTISA-N 434.952 5.272 30 10 IKEE O=C(/C=C/c1c(OCc2ccccc2)ccc2ccccc12)c1cccc(Br)c1 1874575758 FQCVVALKAKYCHT-CCEZHUSRSA-N 443.340 7.077 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Br)c2)ccc1OCCc1ccccc1 1874610875 QATOWAAECMTFMT-ZRDIBKRKSA-N 437.333 5.975 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc(/C=C/C(=O)c3ccccc3)cc2[N+](=O)[O-])c1 1874614840 SMHJWMIBWWKYLY-ZRDIBKRKSA-N 430.460 5.125 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(OC)c1OCc1cccc(Cl)c1 1874618455 BOWQLTONQAMBEB-JXMROGBWSA-N 440.898 6.280 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OCc1cc(C)ccc1C 1874630399 DTANHRXILVQMSZ-PKNBQFBNSA-N 430.544 6.413 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3cc(C)c(OC)cc3C)cc2)o1 1874636737 QBEJYEMNEOHJDX-XYOKQWHBSA-N 434.488 5.557 30 10 IKEE O=C(/C=C/c1ccc(OCCc2ccccc2)c(Cl)c1)c1cc(Cl)ccc1Cl 1874637734 OVSADOHGAVLPJW-UXBLZVDNSA-N 431.746 7.164 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc(Cl)c1OCCCO 1874638542 FOKATUPPKJLROO-PKNBQFBNSA-N 440.923 5.558 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1OC(=O)c1ccccc1 1874697671 KCZBVQMXHJEGLY-ZRDIBKRKSA-N 437.289 5.573 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2ccc(Cl)cc2)cc1OC(=O)C1CCC1 1874700633 DBEDQVVGXICSFG-JXMROGBWSA-N 449.728 5.713 30 10 IKEE CCOc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3cc(OC)ccc3OC)c2)cc1 1874706326 BDLAYXXKJQPREY-GXDHUFHOSA-N 446.499 5.147 30 10 IKEE CCc1ccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3cccc4ccccc34)c2)cc1 1874707864 AMWRWODRSCZGBO-HTXNQAPBSA-N 434.535 6.837 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccccc3[N+](=O)[O-])c2)cc1Cl 1874716700 FQIGJJDVJMMSQW-PKNBQFBNSA-N 437.835 5.372 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C2CC2)c(Br)c1)c1ccc2c(c1)CCCC2 1875097576 RWTVYCVIBJUEIN-VZUCSPMQSA-N 425.322 5.539 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c(Cl)c2)c(C)c1 1875131870 SBICONADDINSPJ-BJMVGYQFSA-N 449.890 6.289 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)Cc1ccccc1Cl 1875139949 JGIQHDDXXJJTFQ-ZRDIBKRKSA-N 434.919 6.010 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3F)c(Cl)c2)cc1F 1875153263 YIXUJPKPDXMWBH-FARCUNLSSA-N 446.808 5.881 30 10 IKEE CCCCC(=O)Oc1c(OCC)cc(/C=C/C(=O)c2cccc3ccccc23)cc1[N+](=O)[O-] 1875154688 RGRNNXKNQXEISV-CCEZHUSRSA-N 447.487 6.138 30 10 IKEE CC(C)COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(F)c3)cc2)cc1 1875161771 GYAJPWISCIKIIU-LHHJGKSTSA-N 436.454 6.115 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3F)c(Cl)c2)c(C)c1 1875182498 GJIXIUVHWBIRQO-CSKARUKUSA-N 436.910 6.449 30 10 IKEE CC(C)(C)c1cc(CCC(=O)N2CC(COc3cccnc3C#N)C2)cc(C(C)(C)C)c1 1891214447 IJKAHIADJMICRQ-UHFFFAOYSA-N 433.596 5.018 30 10 IKEE C=C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)([C@@H](C(=O)O)C1CC1)C(C)(C)C 1957759549 ZYSGKGAIEVGZCM-YIXXDRMTSA-N 433.548 5.607 30 10 IKEE C=C1CCC(C[C@H](N)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)CC1 1997470764 ZCPLTEPXPMSLJN-JYFHCDHNSA-N 428.617 5.294 30 10 IKEE CC(C)(C)OC(=O)N(CCN=[N+]=[N-])[C@@]1(C#N)CCC(F)(F)C[C@H]1OCc1ccccc1 1998813605 ILXHOIIMTGXTGD-YLJYHZDGSA-N 435.475 5.201 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@H]1C[C@@H]2C[C@@H]2C1 2004668379 PUZDBZLUPRAJCA-VHJOFQCFSA-N 428.617 5.067 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)C1(CCF)CCN(C(=O)OC(C)(C)C)CC1 2023619732 UJYUEKDCBSIEAV-QFIPXVFZSA-N 434.596 5.114 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)cc1 2032043812 MWXHHULSDLXMQD-KHOMTPLRSA-N 441.572 5.276 30 10 IKEE CCCCCCCCCC[C@@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NC 2035468818 VOZHMKMFTWMSFD-LOSJGSFVSA-N 448.692 6.605 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCC1)[C@H](C#N)c1ccc(Cl)c(Br)c1F 2036363519 XVMHMZPYQOETKO-CQSZACIVSA-N 431.733 5.986 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(Cc3ccccc3)CC2(C)C)c1 2037436491 ZADFBOYGVKQAJK-MHZLTWQESA-N 433.596 5.931 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1N(Cc1ccccc1)[C@H](C)c1cccs1 2052559220 ZEPWBJOBVZKQMA-LJQANCHMSA-N 434.414 5.519 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Br)c(Cl)c1F 2060548129 ZYZHJXFKIZYFSB-LBPRGKRZSA-N 435.721 5.040 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)C1(NC(=O)OC(C)(C)C)CCC(CC)CC1 2073932877 CJLSZTQIOZXTJI-AFCFIKFXSA-N 444.660 5.991 30 10 IKEE CCCOc1ccc([C@@H](n2nc(C(C)(C)C)c(C#N)c2Br)C2(C)CC2)cc1 2080072385 PQMPFMUVZSFDCP-LJQANCHMSA-N 430.390 5.993 30 10 IKEE CC(C)Oc1ccc([C@H](C2CCC2)n2nc(C3(C)CC3)c(C#N)c2Br)cc1 2080125239 DCZJBLHXDQMICK-IBGZPJMESA-N 428.374 5.745 30 10 IKEE C=CCC1([C@H](NC)c2cccc(Br)c2Cl)CN(C(=O)OC(C)(C)C)C1 2081412510 NBCZGSFIZSCASO-MRXNPFEDSA-N 429.786 5.176 30 10 IKEE CC#CCCCC[C@@H](NCC)c1ccc(Br)cc1I 2142286986 KLOFVWGEFDVXDN-MRXNPFEDSA-N 434.159 5.288 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCOC12CCCCC2 2143845050 VOWKZLRGZNSBHN-FQEVSTJZSA-N 435.362 5.576 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)ccc(Br)c1F 2145529106 PKUIYDIIHRTTND-CRAIPNDOSA-N 445.348 5.075 30 10 IKEE CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)Nc1ccc(Br)cc1 2149843759 PYOVULQYTSDAEW-IERDGZPVSA-N 436.394 5.426 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@@H](C#N)c1c(F)cc(Br)cc1F 2170704691 OPZIPYTWIPHLKT-INIZCTEOSA-N 441.247 5.873 30 10 IKEE CCN(c1cccc(Br)c1C#N)[C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 2174807891 HVXVMIZEYDWOAQ-QAPCUYQASA-N 436.394 5.231 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](CNc2ccc(Br)cc2C#N)CC12CCC2 2176862174 FUDXACYQOVGSJE-HNNXBMFYSA-N 434.378 5.302 30 10 IKEE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@@H](CNc2ccc(C#N)c(Br)c2)CC1 2178648384 QZKVCJOLVMMLSK-LDTOLXSISA-N 440.357 5.156 30 10 IKEE C#C[C@@H](NC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Br)C1CCCCC1 2203792812 UNUMTSZONKUJHU-GOSISDBHSA-N 435.362 5.108 30 10 IKEE C=CCCCCCC[C@H](NCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2206904117 YEMPDTDQVTZDDZ-FQEVSTJZSA-N 439.438 6.973 30 10 IKEE C=CCCCCCCC[C@H](NCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2220094926 XQNOULDIPBVCSV-ZKMPZPQNSA-N 446.676 6.380 30 10 IKEE CCCN[C@@H](C#CP(C)(C)=O)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2225398275 QLNJIJQGWZEWGZ-INIZCTEOSA-N 443.322 5.420 30 10 IKEE CCCCCCC[C@](C)(CO)N(C(=O)OC(C)(C)C)c1ccccc1Br 2227111570 VTBVRIINAFUZHU-OAQYLSRUSA-N 428.411 6.302 30 10 IKEE Cc1sc(C(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)c(C)c1B1OC(C)(C)C(C)(C)O1 2255858332 PVJHEUZLRXZZNA-KRWDZBQOSA-N 439.430 5.105 30 10 IKEE CCCN[C@]1(C#N)CCCC[C@@H]1CCN(CCN(C)Cc1ccccc1)Cc1ccccc1 2273176696 ASKORTHTOMWIBG-WDYNHAJCSA-N 446.683 5.463 30 10 IKEE CC(C)c1ccc(NC(=O)OC(C)(C)C)c(C(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)c1 2273740087 NCHVBTYKTANBRO-JLHYYAGUSA-N 444.381 5.074 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)C(C)(C)[C@@H](C)NC(=O)OC(C)(C)C 2296216878 ONBBCBTZGFQCPD-VQIMIIECSA-N 437.422 5.108 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)CCC[C@@H](CC)NC(=O)OC(C)(C)C 2296227036 LIYONJBABDNIMP-UXHICEINSA-N 437.422 5.252 30 10 IKEE CC(C)(C)OC(=O)N[C@](C)(C1CCCCC1)[C@@H](O)C#Cc1ccc(Br)cc1 2296271714 FZKZOXOBARSEHD-SIKLNZKXSA-N 436.390 5.025 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)C(=C(O)c4ccccc4)[C@@H]3c3ccc(C)o3)sc2c1 2296606585 VMMJRYHVAXCGIV-NRFANRHFSA-N 444.512 5.386 30 10 IKEE S=C1N(c2ccccc2Cl)C(=NC2CCCCC2)[C@@H](N2CCCC2)C12CCCCC2 2297509036 MYJVFHLCZRGACJ-JOCHJYFZSA-N 444.088 6.634 30 10 IKEE CC(C)(C)[C@H](CS)COc1cc(Br)cc(I)c1 2301131696 OZFPMDMCMCNPTC-VIFPVBQESA-N 429.161 5.025 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H]2C[C@](C#N)(N(C(=O)OC(C)(C)C)c3ccccc3)CC[C@H]21 2308121633 QGADLUYGCKFNQY-DMJCMNNJSA-N 441.572 5.500 30 10 IKEE C=CCC1([C@@H](O)c2cc(Cl)cc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2315500543 UQALEJNKFCPBQT-HNNXBMFYSA-N 434.733 5.088 30 10 IKEE O=C1C(=Cc2cccc([N+](=O)[O-])c2)Oc2c1ccc1c2CN(Cc2ccccc2Cl)CO1 2321958441 ZEWXJVJRJZKJFU-UHFFFAOYSA-N 448.862 5.217 30 10 IKEE COc1ccc(OC)c(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2cccs2)C4)c1 2321967178 RUQQTRNHUZNXMX-UHFFFAOYSA-N 449.528 5.042 30 10 IKEE COc1ccccc1CN1COc2ccc3c(c2C1)OC(=Cc1ccc(Cl)cc1)C3=O 2321993744 PNUDQMXUQNNXBU-UHFFFAOYSA-N 433.891 5.317 30 10 IKEE CCCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1cn(CC)c2ccccc12)C3=O 2322051000 JQXCOBJPXGZZIM-UHFFFAOYSA-N 430.548 5.928 30 10 IKEE CCc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCCCN(CC)CC)C4)cc1 2322123102 WOIKXRMBOQLOTN-UHFFFAOYSA-N 448.607 5.448 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(-c4ccccc4)cc1)O3)CN(CCC(C)C)CO2 2322236333 KPBOQNKVOWVLHC-UHFFFAOYSA-N 439.555 6.476 30 10 IKEE CCc1ccc([C@H](C)N2COc3cc(C)c4c(c3C2)OC(=Cc2ccc(C)o2)C4=O)cc1 2322260334 YKVVYLXKQGMKAV-SFHVURJKSA-N 429.516 5.988 30 10 IKEE CCCN(CCC)C(=O)COc1ccccc1C=CC(=O)c1cccc(Br)c1 2322457411 AAJKPKHJPRWERT-UHFFFAOYSA-N 444.369 5.373 30 10 IKEE C=CCOc1c(Br)cc(Br)cc1C=CC(=O)c1ccc(C)cc1 2322593566 KEISHFSWRKYSRY-UHFFFAOYSA-N 436.143 5.981 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OC)c2OCc2cc(C)ccc2C)c1 2322667176 GKWBFQMIELZUEQ-UHFFFAOYSA-N 432.516 5.804 30 10 IKEE Cc1c(OC(=O)c2ccccc2Cl)ccc2c1OC(=Cc1ccc(N(C)C)cc1)C2=O 2322725015 NZHCICHIXGBDHS-UHFFFAOYSA-N 433.891 5.550 30 10 IKEE Cc1cc(OC(=O)c2ccccc2F)cc2c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O2 2322799024 YDMXNKWTXIJJGB-UHFFFAOYSA-N 443.257 6.276 30 10 IKEE COc1ccc(Br)cc1C=C1Oc2cc(OC(=O)C3CCC3)cc(C)c2C1=O 2322825059 FRYJMEHXNGSUOP-UHFFFAOYSA-N 443.293 5.088 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1ccc2c(c1)OC(=Cc1cccc(Cl)c1)C2=O 2323105916 BZOZWPLVWWFGJG-UHFFFAOYSA-N 439.294 6.148 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OCC(=O)Nc3cc(C)cc(C)c3)c2)c1 2323178071 FCIIXNHPVGBAPZ-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])ccc2C1=O 2323282958 QEFRKYYFTFEJSU-UHFFFAOYSA-N 441.848 5.454 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 2323997472 WAVJWHRFCIPTEL-UHFFFAOYSA-N 448.431 5.295 30 10 IKEE Cc1cccc(N2CCN(Cc3c(O)cc(C)c4c3OC(=Cc3cccs3)C4=O)CC2)c1 2324186151 KDRROHLUXFLRSE-UHFFFAOYSA-N 446.572 5.009 30 10 IKEE O=C(C=Cc1ccc(OCc2c(F)cccc2Cl)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 2324244725 BPWUSSIPKIVEJF-UHFFFAOYSA-N 447.796 6.141 30 10 IKEE Cc1cc(OCCc2ccccc2)cc2c1C(=O)C(=Cc1ccc(Br)cc1)O2 2324281595 DQBFMFNLJGJILG-UHFFFAOYSA-N 435.317 5.995 30 10 IKEE CCOc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccc(C)cc4)ccc3C2=O)cc1 2324370327 PJNIMFMXTVDFPV-GOSISDBHSA-N 443.499 5.416 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1 2324370443 ZLVLGINJNRJAMB-INIZCTEOSA-N 433.891 5.671 30 10 IKEE COc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1ccc(C)cc1)C2=O 2324471050 MUPBSRZAMJVDTF-KRWDZBQOSA-N 429.472 5.026 30 10 IKEE Cc1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2cccc(F)c2)C3=O)c1C 2324499145 GWWPICKALYKPPN-GOSISDBHSA-N 445.490 5.773 30 10 IKEE COc1ccccc1C=C1Oc2cc(OCCCOc3cccc(C)c3)cc(C)c2C1=O 2324561551 MCGZRCWCQKEPJQ-UHFFFAOYSA-N 430.500 5.776 30 10 IKEE Cc1c(OCCOc2ccccc2F)ccc2c1OC(=Cc1ccc(N(C)C)cc1)C2=O 2324857803 UEGJXKZCJDVOQU-UHFFFAOYSA-N 433.479 5.274 30 10 IKEE CCCCCCOC(=O)COc1ccc2c(c1)OC(=Cc1c(F)cccc1Cl)C2=O 2325027753 PWQUDONKULULDF-UHFFFAOYSA-N 432.875 5.598 30 10 IKEE Cc1ccsc1C=Nn1c(CCc2ccccc2)nnc1SCc1ccccc1F 2325448739 NMRDBSAJLGQAGZ-UHFFFAOYSA-N 436.581 5.747 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C(C)(C)C)cc4)ccc3C2=O)o1 2325552414 IGSZWSUCIBZQQD-UHFFFAOYSA-N 431.488 5.519 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccccc1C(=O)O 2325571657 ZZPXMVSTLUJWSK-UHFFFAOYSA-N 449.363 5.410 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4cccc(OC)c4)c3C)C2=O)cc1 2325576386 JSDOBAQAFKHNOV-UHFFFAOYSA-N 443.499 5.200 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OC(=O)Cc1ccc(F)cc1F 2325735101 JOMZJKZSFOFGEV-UHFFFAOYSA-N 436.454 5.634 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccccc1Cl 2326020551 JOLAKPDAXPPOPG-UHFFFAOYSA-N 447.391 5.757 30 10 IKEE COc1c(Cl)cc(C=Nn2c(C)nnc2SCc2cccc(F)c2)cc1Cl 2326728624 SOMOCUDLGZRZPP-UHFFFAOYSA-N 425.316 5.216 30 10 IKEE Cc1cccc(C=Nn2c(COc3ccc(C)c(C)c3)nnc2SCc2ccccc2)c1 2328790128 GHRRYGIQMJQKTI-UHFFFAOYSA-N 442.588 5.957 30 10 IKEE Fc1ccc(CSc2nnc(Cc3ccc(Cl)cc3)n2N=Cc2ccccn2)cc1 2329077647 BYTYENWIRLSFDF-UHFFFAOYSA-N 437.931 5.231 30 10 IKEE Clc1cccc(CSc2nnc(COCc3ccccc3)n2N=Cc2ccccc2)c1 2329365229 VYOXNMVWNVDRMR-UHFFFAOYSA-N 448.979 5.823 30 10 IKEE Cc1ccccc1CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1ccc(O)cc1 2330057998 QITMUUIGLSKNCT-LJQANCHMSA-N 428.561 5.618 30 10 IKEE Cc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2[C@H](C)c2ccccc2)cc1 2330110467 NNYQYOGCRHZGPH-LJQANCHMSA-N 447.007 6.566 30 10 IKEE Cc1cccc(CSc2nnc(CC3CCCCC3)n2N=Cc2ccc(C(C)C)cc2)c1 2330245865 FXPZPLHMESVARB-UHFFFAOYSA-N 446.664 7.007 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2N=Cc2ccccc2)c(C)c1 2330618744 DEBAQXCVUGQXIH-UHFFFAOYSA-N 447.589 5.236 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(Cl)c1OC(=O)C(C)C 2330690368 JBIPHDQFXKRJGJ-UHFFFAOYSA-N 426.940 6.075 30 10 IKEE Cn1cccc1C=Nn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccccc1 2330700608 LYNGIZQSGUEMCF-UHFFFAOYSA-N 442.375 5.765 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)Cc3ccc(C)cc3)c(OC)c2)cc1 2330736310 HTPVFTOETQXHHC-UHFFFAOYSA-N 448.946 6.264 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1OC(=O)C(C)(C)C 2330801530 ZCNMJLFULIZQGY-UHFFFAOYSA-N 441.738 6.503 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)cc3)cc2OCC)cc1 2330979670 LSFAGAQGLBKLMT-UHFFFAOYSA-N 446.499 5.608 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccn3)cc2)cc1OCCC 2331109208 OQKDLSVPQVUEOL-UHFFFAOYSA-N 445.515 5.775 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)CCOc1ccccc1 2331330831 JKIBASCCJYRSKC-UHFFFAOYSA-N 430.500 5.583 30 10 IKEE COc1cccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C(C)(C)C)c1O 2331411122 QPQPYRMAMOICNB-UHFFFAOYSA-N 430.961 5.118 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 2331418381 WFLBLWSUYCGKGQ-UHFFFAOYSA-N 437.536 6.664 30 10 IKEE CC(C)CC(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1Br 2331440157 JGRKMQJUDSXSNQ-UHFFFAOYSA-N 431.282 5.025 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(C3CCC3)n2N=Cc2ccc(CC)cc2)o1 2331512278 UNUUPOIFRPSCOC-UHFFFAOYSA-N 438.553 5.052 30 10 IKEE COCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccc(C(F)(F)F)cc1 2331577835 ZJAIJXAEWAQSNJ-UHFFFAOYSA-N 434.487 5.235 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)ccc1OC(=O)[C@@H]1CCCO1 2331752006 SVKBLICDIGTJGJ-NRFANRHFSA-N 444.911 5.036 30 10 IKEE CCCN[C@H](C#C[C@@H]1CC1(C)C)c1cc(I)ccc1Br 2365070154 HXSKECYVXGNDDU-MLGOLLRUSA-N 446.170 5.144 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H](Nc2ccc(C#N)cc2Br)[C@H]1C(F)(F)F 2370056136 BQTLJBLJYJIRQL-GJZGRUSLSA-N 448.283 5.063 30 10 IKEE O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)Oc2cc(OCc3ccc(F)cc3Cl)ccc21 2423430 ANHSLADAOVUIGE-NKVSQWTQSA-N 425.799 5.583 30 10 IKEE C=CCN1C(=O)c2ccccc2N[C@H]1c1csc(N(C(C)=O)c2cccc(Cl)c2)n1 11034543 JECGPSBXGNOQLY-HXUWFJFHSA-N 438.940 5.234 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)/C=C/c2ccc(Cl)cc2)nc2c(C)cccc12 12240190 KZWNXMBRPWTVPV-DHZHZOJOSA-N 427.895 5.214 30 10 IKEE CCCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)cc1 21252774 YJKJEEQZRXPUQH-WTYVLRPYSA-N 442.534 6.594 30 10 IKEE O=C1C[C@@H](c2ccccc2Cl)CC2=C1[C@@H](c1ccc(Cl)cc1)Nc1ccccc1N2 21254633 MEUOLVMOZCBCIP-IVCQMTBJSA-N 435.354 6.973 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)cc1)c1cc2ccccc2o1 33370844 RBQXMOPPOJIJKV-JOCHJYFZSA-N 444.874 5.260 30 10 IKEE COc1ccc(/C=C\C(=O)c2ccc(N3C(=O)c4cccc5cccc(c45)C3=O)cc2)cc1 33424196 RWUPILNHIMBLKK-YVLHZVERSA-N 433.463 5.545 30 10 IKEE O=C(/C=C/c1ccccc1)Oc1cccc(/C=C/C(=O)c2ccc(Br)cc2)c1 34954349 JWIRUTGEXBZFQL-KAVGSWPWSA-N 433.301 5.964 30 10 IKEE CC[C@@H](C)c1ccc(OCC(=O)N(CCC#N)Cc2ccccc2)c(Br)c1 36563715 JRELDZNYVZPHTA-QGZVFWFLSA-N 429.358 5.284 30 10 IKEE C=CCOc1cccc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2Cc2ccco2)c1 38593375 DYVNWKSUNSUHJP-XMMPIXPASA-N 441.483 5.313 30 10 IKEE C=CCc1ccc(OCCCCn2c(/C=C/c3ccccc3)nc3ccccc32)c(OC)c1 40238376 DODGXMBZTWUDEW-HTXNQAPBSA-N 438.571 6.803 30 10 IKEE COc1cc(/C=C2/S/C(=N/c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)ccc1O 59087024 MPKUGXXCDXKNSL-JHXFIANCSA-N 430.529 5.826 30 10 IKEE CCN(CC)c1ccc(/C=N/c2sc(Cc3ccccc3)c(C)c2C(=O)OC)c(O)c1 59460289 ICORJIWVZAWVHW-WGOQTCKBSA-N 436.577 5.736 30 10 IKEE COc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(F)cc1 59535770 VXMMEYQDBYYLHN-WYMPLXKRSA-N 429.835 5.421 30 10 IKEE CCCC/C(C)=N/Nc1nc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n[nH]1 59890795 WKQVVZQGTJDAGN-YSURURNPSA-N 448.902 5.186 30 10 IKEE C=CC(C)(C)[C@@H](C(=O)OC)[C@@H](O)c1ccc(OCc2ccccc2)cc1OCC=C(C)C 71973901 FAJUZELWJXCGBQ-RPBOFIJWSA-N 438.564 5.645 30 10 IKEE C=CCn1c(SCc2ccc(C(=O)O)o2)nc2scc(-c3ccc(C)cc3)c2c1=O 96535300 NMHYCPMCBLJIFD-UHFFFAOYSA-N 438.530 5.203 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)c(C)c2)cc1 100418879 UUWZXYABLYDAAM-UHFFFAOYSA-N 444.575 6.849 30 10 IKEE CC/N=c1/scc(-c2ccc(OC)cc2)n1/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 102931092 QEDIXCQTBQPPSU-QLBGLLJLSA-N 448.504 5.196 30 10 IKEE O=S(=O)(/N=C(\SCc1ccc(Cl)cc1)c1ccccc1)c1ccc(F)cc1F 105870306 SXONEZBZDKXDQY-GFMRDNFCSA-N 437.920 5.687 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2cccs2)c(C)c1 169985285 ASJQFMJLVUXDPF-HXUWFJFHSA-N 439.920 5.501 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2cccs2)cc1 169988481 SFFYYMXNOGYSHI-JOCHJYFZSA-N 444.512 5.017 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@@H]2c2ccccc2)cc1 170049327 QWNCBZXRPDNCSX-XMMPIXPASA-N 425.528 6.075 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccccc1F)c1ccc(F)cc1 170070927 GSTOPQAGWHYYHV-HXUWFJFHSA-N 425.818 5.401 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccccc2C)c1 170086910 QLJKQUTUVAHYKI-SANMLTNESA-N 441.527 5.496 30 10 IKEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccco2)cc1 170097126 NMTJJMRXPPZEGQ-OAQYLSRUSA-N 437.879 5.110 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2c(C)[nH]c3ccccc23)cc1 170103925 IVOUBYKRQSMSCZ-XMMPIXPASA-N 440.499 5.410 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2cccs2)c1 170156475 BBBYACSGYNZELW-QFIPXVFZSA-N 433.529 5.627 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccccc1)c1cccc(Cl)c1 170223068 PEBMYEDAFNTWEC-FQEVSTJZSA-N 425.818 5.401 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1C 170235280 CXXPHMWKNKCJSV-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@@H]2c2ccco2)ccc1F 170288685 ODCUKFAIJAXXLA-HXUWFJFHSA-N 425.843 5.472 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2ccccc2C)o1 170305648 HODXEUOKSIDSQS-HJPURHCSSA-N 429.472 5.003 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@@H]1c1c(C)[nH]c2ccccc12 170312212 FLYXFLMXJMKSKN-NRFANRHFSA-N 438.911 5.127 30 10 IKEE COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=NN=C2C=C(C)CC(C)(C)C2)N=C1O 252644082 ZYRJTFHKLASHHY-KRWDZBQOSA-N 448.976 5.227 30 10 IKEE Oc1ccc(C=Nc2ccc(Oc3ccc(N=Cc4ccc(O)cc4O)cc3)cc2)c(O)c1 254450122 RKFJKEKDCJPASA-UHFFFAOYSA-N 440.455 5.803 30 10 IKEE Cc1c(N=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)c(=O)n(-c2ccccc2)n1C 254590221 WXZMMTCSIVQCDX-UHFFFAOYSA-N 426.303 5.802 30 10 IKEE O=C(Nc1cccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2O)c1)c1cc2ccccc2o1 254594436 UPHUAUZHLMYOKP-UHFFFAOYSA-N 435.823 5.703 30 10 IKEE C=C(C)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]21C 257472069 LFPVZIIPFONRSW-ROCLJXSSSA-N 426.729 8.025 30 10 IKEE endogenous,in-man CCCN[C@@H](CC#CC(C)(C)C)c1cc(I)ccc1Br 383449520 AHSCVARTPGYICS-INIZCTEOSA-N 448.186 5.534 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1ccc(OCC)c([N+](=O)[O-])c1 526804250 KIKVLZFJDJWDHF-UCQKPKSFSA-N 439.541 5.020 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1cn(C)c2ccccc12 526808848 UWTVQDDONKUNKU-QFEZKATASA-N 438.000 5.940 30 10 IKEE N#CCN(C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586135437 WYVFRFZHPLMIIO-UHFFFAOYSA-N 431.344 5.297 30 10 IKEE COc1cc(C)c(C)cc1S(=O)(=O)N(Cc1cccc(C#N)c1)c1ccc(C(C)C)cc1 586217267 DSGYDCIMORMELL-UHFFFAOYSA-N 448.588 5.703 30 10 IKEE CCCCCCCCCCCCCCCCOc1nc(Br)ccc1CN 669370536 PHFDZSKZWFGFAT-UHFFFAOYSA-N 427.471 7.163 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C1(C)C 693741684 RTVOAMSYSYNXFL-UTBIRPSLSA-N 435.609 5.340 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@H]2CCCN2C(=O)OC(C)(C)C)c1 698471501 UOEZGHIIIALDGT-DVECYGJZSA-N 429.561 5.418 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@H](C#N)c1cc(Br)ccc1Cl 698865857 HGXGTTYVGWGBQU-MRXNPFEDSA-N 441.778 6.166 30 10 IKEE CCCCCCC[C@@H](O)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 708578073 FMGAFFNLTXEZOB-RTBURBONSA-N 428.411 5.606 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1cccc(OCc2ccccc2)c1 829347755 NZQNIEDMKSPEBZ-VWLOTQADSA-N 428.532 6.580 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H](CNC(=O)OC(C)(C)C)C(C)C)c1 829354875 TUFOTLAJQSXLTF-WOJBJXKFSA-N 447.576 5.126 30 10 IKEE C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C=Nc2ccc3c(c2)oc2ccccc23)C[C@@H](C)O1 1084283271 RWZXQKINCTWOLT-IAGOWNOFSA-N 429.476 5.858 30 10 IKEE COc1ccc(C(C)=NOC(=O)c2ccc(Cl)cc2)cc1SCc1ccccn1 1088697534 RVRCCGWNXZFYGO-UHFFFAOYSA-N 426.925 5.617 30 10 IKEE O=C1/C(=C\c2ccccc2O)S/C(=N/N=C/C=C/c2ccccc2)N1Cc1ccco1 1615304593 OHXAKHBGIKAREN-YBTJXFMPSA-N 429.501 5.157 30 10 IKEE CCCCCCCCCCCCCCCCCCNC(=O)/C(Cl)=C(/Cl)C(=O)O 1615946877 DHTNXAAXEJBMFL-VXPUYCOJSA-N 436.464 7.138 30 10 IKEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](C(C)(C)C)C1 1740847613 OLCJUJGXWOCTRV-QGZVFWFLSA-N 434.588 5.069 30 10 IKEE CCCCc1ccc(NC(=O)[C@@]23CC[C@@](C)(C(=NNc4ccccc4)C2=O)C3(C)C)cc1 1772722353 PPIMZLAPBSSLIU-RRPNLBNLSA-N 431.580 5.831 30 10 IKEE C=CCOc1ccccc1/C=C1/SC(=Nc2ccncc2Cl)N(c2ccccc2)C1=O 1772736712 MJHHBCPCKACYQE-UGIGCIEISA-N 447.947 6.108 30 10 IKEE COc1ccc(C(=O)C[C@H]2SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1 1772760072 ONBUMALGHNFBDT-XMMPIXPASA-N 444.556 5.721 30 10 IKEE Cc1sc(NC(=O)c2cc(C(C)C)nc3ccc(Br)cc23)c(C#N)c1C 1859647304 GSFSCAAYNKGCNA-UHFFFAOYSA-N 428.355 5.923 30 10 IKEE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 1860118968 USSZZUYFXGEMOD-OAHLLOKOSA-N 441.314 5.850 30 10 IKEE O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 1860727204 GKBPEFAGGGHGBJ-DUXPYHPUSA-N 434.062 5.429 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC(C)C)NC(=O)c1c(C)ccc2ccccc12 1860989870 BXSYNORQTQKRCD-RUZDIDTESA-N 438.656 6.550 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)c1ccc(OCCCCCC)cc1)c1ccccc1 1862136490 YDMIKRMFJNRTIU-VWLOTQADSA-N 434.580 5.317 30 10 IKEE CCCCCCCCNC(=O)c1cc(CCc2ccccc2)n(Cc2ccc(C)cc2)n1 1862317717 CBNOPGXFHUDVSW-UHFFFAOYSA-N 431.624 6.115 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@@H]1c1cccc(F)c1)c1cccc(Cl)c1 1862444932 KCHUJHPBLRCLNC-JOCHJYFZSA-N 441.930 6.170 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1cccc(F)c1)c1c(F)cc(F)cc1F 1862457321 MZIUMBIOTOMAGX-OAQYLSRUSA-N 441.380 5.022 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CC(C)C)cc1 1862468272 LKIRBIPHWDEQSE-FQEVSTJZSA-N 442.353 5.246 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(F)cc1 1862490470 WGEFCBWPFOYCNB-HSZRJFAPSA-N 439.527 5.228 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2c(F)cccc2Cl)cc1 1862531217 ITAXCOYPQIVMKU-QFIPXVFZSA-N 441.930 5.953 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2ccc(C)cc2)cc1 1862531880 DPTAAIOXJJIVGG-HSZRJFAPSA-N 431.557 5.440 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccc(F)cc1)c1ccc2c(c1)CCCC2 1862544422 CJMZAJKYVDVBDO-RUZDIDTESA-N 447.550 6.006 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2ccccc2)cc1 1862589935 XBXVRUAABXWDTR-MZNJEOGPSA-N 427.500 5.294 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2c(Cl)cccc2Cl)cc1 1862668363 XHBQHYDDHHZHEN-HXUWFJFHSA-N 430.331 5.858 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1Br 1862681235 VRBFTVQDRTWRCX-LJQANCHMSA-N 446.316 5.213 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(C)cc2)=C(c2ccc(F)cc2)C1=O 1863140968 KZGPGRCDJUXGPY-UHFFFAOYSA-N 436.571 6.467 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2OCCC)=C(c2cc(Cl)ccc2Cl)C1=O 1863385205 BGUBHCSIUWWRQF-UHFFFAOYSA-N 431.319 5.160 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccccc2F)=C(c2ccccc2F)C1=O 1863648186 QGIRDOYQVIVALP-UHFFFAOYSA-N 426.507 5.195 30 10 IKEE C[C@@H](CC(=O)N[C@@H](C(=O)Nc1ccccc1C#N)c1ccccc1)c1cccc(Cl)c1 1867187128 ILPJEZZNMYASLJ-BXKMTCNYSA-N 431.923 5.201 30 10 IKEE Cc1ccc(-c2nc(Nc3cccc(C#N)c3)cc(N3C[C@H](C)Cc4ccccc43)n2)cc1 1868313081 VSWACMJRTGBSBO-HXUWFJFHSA-N 431.543 6.398 30 10 IKEE Cc1ccc(-n2nnc(C#N)c2NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1Cl 1870141582 ZHVCGJYYPLYMJG-QPJJXVBHSA-N 432.698 5.060 30 10 IKEE N#Cc1nnn(-c2ccc(Cl)c(C(F)(F)F)c2)c1NC(=O)c1cccc2ccccc12 1870152718 HLGPAOWYCBGIMF-UHFFFAOYSA-N 441.800 5.217 30 10 IKEE C=CCOc1cn(CCc2c[nH]c3ccccc23)c(CNc2cccc(Cl)c2)cc1=O 1870808999 KLKFQLOMTAAKAR-UHFFFAOYSA-N 433.939 5.403 30 10 IKEE CCCCCCCOc1cn(C[C@@H]2CCCO2)c(CNc2cc(C)ccc2C)cc1=O 1870833741 QRAQSHZFWGZGMX-QHCPKHFHSA-N 426.601 5.605 30 10 IKEE C=CCn1cc(OCc2c(C)noc2C)c(=O)cc1CNc1ccc(Cl)c(Cl)c1 1871010531 DOKCWBBCQRNDRR-UHFFFAOYSA-N 434.323 5.137 30 10 IKEE CCCCCCCCCCn1cc(OCCCC)c(=O)cc1CNc1ccccc1C 1871112441 DPEGBRSSAVRVDD-UHFFFAOYSA-N 426.645 7.088 30 10 IKEE CCCCCCCCn1cc(OCCCO)c(=O)cc1CNc1ccc(C(C)C)cc1 1871266283 QBNJEIUHEXUZAZ-UHFFFAOYSA-N 428.617 5.706 30 10 IKEE CCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1cn(C)c2ccc(OC)cc12)C3=O 1871346433 FVSYDQHZPGNFGT-KSEXSDGBSA-N 432.520 5.064 30 10 IKEE CCCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(Cl)c(Cl)c1)C3=O 1871347025 SAEZYXWEMHMQMF-JAIQZWGSSA-N 432.347 6.260 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1COc2ccc3c(c2C1)O/C(=C\c1ccccc1OC(F)F)C3=O 1871351080 JPBYBADBXKZIGJ-GSZKFUKYSA-N 441.474 5.635 30 10 IKEE CCCCCN1COc2c(cc3c(c2C)O/C(=C\c2cn(C)c4ccc(OC)cc24)C3=O)C1 1871352340 BKOREACHWPBCOG-MSXFZWOLSA-N 446.547 5.454 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871381688 CELQCBGGLIDYHC-UUYOSTAYSA-N 448.858 5.409 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccccc4C)c3C)C2=O)cc1 1871410394 ZSEJDTMGIPCRHI-XHFXOGKZSA-N 443.499 5.334 30 10 IKEE CCc1cccc(CC)c1NC(=O)COc1ccc2c(c1)O/C(=C\c1sccc1C)C2=O 1871455251 HYGJSYNZZDLLQT-HMAPJEAMSA-N 447.556 5.815 30 10 IKEE CCCCCCCCN=c1nc(N(CCC)CCC)[nH]c(=Nc2cc(C)ccc2C)[nH]1 1871671981 OMIIYDQITLIANT-UHFFFAOYSA-N 426.653 5.475 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccc(F)cc1 1872446532 HBBTZHROJPAPLH-HSZRJFAPSA-N 446.588 5.323 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(OC(C)C)cc3)n2)c(C)c1C 1872778838 VUHZZMXFALSWCL-OAQYLSRUSA-N 434.561 5.642 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1C(C)C 1872779715 PNQKPENWBVGJPU-IBGZPJMESA-N 435.505 5.649 30 10 IKEE CCCOc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)cc1 1872785803 WGXHCZQMMBKKIF-GOSISDBHSA-N 440.952 5.680 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)c1cccc(CSc2nc(C)c(C)c(C)c2C#N)c1 1872893067 FTLVOZDFZMYKSL-UHFFFAOYSA-N 435.980 6.385 30 10 IKEE O=c1c(Cl)c(N/N=C/c2ccc(Cl)cc2Cl)cnn1-c1cccc(Cl)c1 1873526460 GHLMLTRAVWKQFK-GZIVZEMBSA-N 428.106 5.292 30 10 IKEE C=CCn1c(C(=O)Nc2ccc3cc[nH]c3c2)cc2c(NCc3ccc(C)cc3)ncnc21 1873641641 DTRAZYYAPDZENI-UHFFFAOYSA-N 436.519 5.271 30 10 IKEE CCCCCCCCCCNC(=O)CNC(=O)c1ccc2nc(-n3cccc3)sc2c1 1873934900 CSVSPJDKLACBJX-UHFFFAOYSA-N 440.613 5.074 30 10 IKEE CCOc1ccc(/C=N/n2c(CCCOc3c(C)cccc3C)nnc2SCC)cc1 1874225347 GMQYHHUFHDYCMW-KOEQRZSOSA-N 438.597 5.299 30 10 IKEE CCCSc1nnc(COc2ccccc2OCC)n1/N=C/c1cccc2ccccc12 1874243198 SDOYVQLMSMWCMU-YZSQISJMSA-N 446.576 5.793 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccc(Cl)cc1 1874264606 GUZQPTCZEAUWCW-FOKLQQMPSA-N 433.364 5.714 30 10 IKEE C(=N/n1c(Cc2cccc3ccccc23)nnc1SCc1ccccc1)\c1cccnc1 1874269705 KANIUKDJNQQVSD-MTDXEUNCSA-N 435.556 5.592 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccccc3)n2/N=C/c2cccnc2)CC1 1874287859 AQOVXRROONKIAQ-OVVQPSECSA-N 433.625 6.312 30 10 IKEE C=CCSc1nnc(Cc2ccc(OC)cc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874351885 JHTZVFXLXNOUCI-YDZHTSKRSA-N 433.364 5.345 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(Cc3ccc(C)c(C)c3)nnc2SCc2ccccc2)c1 1874358329 BKWUTRDSCXKHPI-JVWAILMASA-N 442.588 5.674 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2C)n1/N=C/c1cn(C)c2ccccc12 1874362737 ULWZKWVAMCOTDU-CVKSISIWSA-N 429.593 5.414 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3F)n2/N=C/c2ccc(F)cc2)cc1 1874373081 GSOHYKUCWVQRAR-JFLMPSFJSA-N 434.515 5.630 30 10 IKEE COc1cccc(/C=N/n2c(Cc3ccc(C)cc3)nnc2SCc2ccccc2)c1 1874389356 NQYSHFCBFUKJMB-YZSQISJMSA-N 428.561 5.360 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2Cl)n1/N=C/c1ccncc1 1874395550 PDPVNWQIOYTDCU-AEIQVQRHSA-N 433.968 5.653 30 10 IKEE COc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2cccc(F)c2)cc1 1874402427 ZJPJKOBASIOYKZ-WPWMEQJKSA-N 446.551 5.386 30 10 IKEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3cccc(C)c3)nnc2-c2cccs2)c1 1874422177 YQOWQILYSLYZCK-ZVHZXABRSA-N 447.589 5.236 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2c(Cl)cccc2Cl)nnc1[C@@H]1CCCO1 1874448929 OSRFBETVQHPQRS-OGBFJMLUSA-N 447.391 5.919 30 10 IKEE C=C(C)CSc1nnc(C(C)C)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874513159 KFIMUEQVMKAOLD-DHRITJCHSA-N 441.000 6.184 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2cc(C)ccc2C)cc1OC 1874571692 ALUXBDPGXRRXNJ-ACCUITESSA-N 445.515 5.234 30 10 IKEE CCc1ccc(C(=O)/C=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1 1874572786 FVJFAYGIBUUSLM-WUKNDPDISA-N 426.943 7.531 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccccc1OCc1ccccc1Cl 1874588842 IAWBHBWGWSACOV-VAWYXSNFSA-N 427.327 6.786 30 10 IKEE CCOc1c(Br)cc(/C=C/C(=O)c2ccccc2Cl)cc1Br 1874608915 NLSYWJSDEBHTGQ-BQYQJAHWSA-N 444.550 6.160 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1ccc(Cl)cc1 1874622871 ZYFRGUWSPPWEQD-VIZOYTHASA-N 434.963 7.121 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1Cl)Nc1ccc(F)cc1 1874625999 HDQBPRLAYGIDNK-XLUWADSXSA-N 445.824 5.671 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)ccc1OCc1ccccc1F 1874633568 JUOPXPOAFWQPQY-CSKARUKUSA-N 440.898 6.280 30 10 IKEE CCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)Cc1ccccc1 1874647140 UOBRZADXMJMECV-SANMLTNESA-N 447.623 5.604 30 10 IKEE COc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc4ccccc4c3)c2)cc1OC 1874692820 YXVPAEZZLRHSQR-GXDHUFHOSA-N 438.479 5.972 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1[N+](=O)[O-] 1875095263 HYOHACRYLRZVPU-GXDHUFHOSA-N 437.451 6.172 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(Cl)c1OC(=O)c1ccccc1C 1875101599 XCVXNAWEFOKFOT-NTCAYCPXSA-N 448.946 6.725 30 10 IKEE O=C(COc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1 1875134530 WTXVZLLYRHEBKD-MDWZMJQESA-N 427.283 5.874 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1OC(=O)c1cccc(C)c1 1875137068 UPZWMWDLJOKMEO-JLHYYAGUSA-N 445.471 5.726 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)[C@@H](C)c1ccccc1 1875137854 IIRVSGWHLHYYSF-AIGDTVQASA-N 444.527 5.926 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)Cc1ccc(F)cc1 1875156810 JMDPCBQUOINXQD-MKMNVTDBSA-N 432.491 6.002 30 10 IKEE COc1ccccc1C(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(F)cc2)cc1OC 1875157740 MLCIOVWFUBOWNN-KPKJPENVSA-N 440.854 5.612 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)c(Cl)c1)c1ccc(F)cc1 1875158307 PIPSVSDWEIIRRZ-XLUWADSXSA-N 449.692 6.901 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)C(F)(F)F 1875162922 XAJXKSIHWTWAJV-ZZXKWVIFSA-N 434.744 5.381 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)CCCSC 1875169131 AWTUMPPOQFPURG-PKNBQFBNSA-N 426.578 5.874 30 10 IKEE CC#CCC[C@@H](NCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875651372 QBWIXNBMOIMSGB-UHSQPCAPSA-N 443.587 5.660 30 10 IKEE N#Cc1ccc(C(=O)NCCSc2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)cc1 1891770743 VFXZSFLEQYVERD-UHFFFAOYSA-N 431.948 5.882 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 1943894956 POXXKISBOGDKEE-FDDCHVKYSA-N 433.524 5.297 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H]([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C1 1993188593 LREWQKORWQSDOK-YJBOKZPZSA-N 435.952 5.231 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@](C#N)(CN(C)C(=O)OC(C)(C)C)C(C)(C)C 2032012322 GKHKFSNWEPDKKT-RUZDIDTESA-N 445.604 5.912 30 10 IKEE C=C1CCC(CNc2cc(Br)c(Br)c(Br)c2)CC1 2034336200 XRZCRSQCHIASDF-UHFFFAOYSA-N 438.001 6.132 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CC[C@@H](C)C[C@@H]2OCc2ccccc2)c1 2043774611 MUHZBJSAWRCXRV-QURRFSBHSA-N 434.580 6.404 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CC[C@@H](C)C[C@@H]2OCc2ccccc2)cc1 2043779048 ZUUXYLXRCOITJP-QURRFSBHSA-N 434.580 6.404 30 10 IKEE CC1(C)CC[C@](C#N)(N(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)[C@@H](OCc2ccccc2)C1 2043782064 ZSKOJJZQNZIKMY-AOJNWGRGSA-N 442.600 5.460 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)[C@@H]1C(C)(C)C 2067837958 LTWSAISWJCYTAC-DFBJGRDBSA-N 449.636 5.874 30 10 IKEE CCCC[C@@](C)(C#N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071350269 WZXSJPBAOVYNOM-NSOVKSMOSA-N 429.560 6.598 30 10 IKEE C[C@@H]1CC[C@@](C#N)([C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1 2071353091 DKDYCMJMIFSSKS-AOLGGSBGSA-N 427.544 6.208 30 10 IKEE C[C@@H]1CC[C@](C#N)([C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1 2071353092 DKDYCMJMIFSSKS-FQNJNTOFSA-N 427.544 6.208 30 10 IKEE Fc1ccc(-n2nc(C3CCC3)c(Br)c2C(F)(F)F)c(C(F)(F)F)c1 2079002820 OUVNNQWQWGBLHV-UHFFFAOYSA-N 431.149 6.079 30 10 IKEE O/N=C/c1c(C2CCC2)nn([C@H](c2ccc(C3CC3)cc2)C2CCC2)c1Br 2079041655 WOQPQDSWWHRIDO-UQQIOGDDSA-N 428.374 5.988 30 10 IKEE Cc1ccc([C@@H](n2nc(C(F)(F)F)c(/C=N/O)c2Br)C(C)(C)C)c(C)c1 2079088579 FKEWXLJCFJBGTQ-MJGXDETHSA-N 432.284 5.725 30 10 IKEE N#Cc1c(C2CCC2)nn([C@@H](c2ccc(C(F)(F)F)cc2)C2CCC2)c1Br 2079873545 QIWIRZPOKKZXCW-GOSISDBHSA-N 438.291 6.193 30 10 IKEE COc1ccc([C@H](n2nc(C(C)(C)C)c(C#N)c2I)C2(C)CC2)cc1 2079876946 QKDYFHNRDLITMG-KRWDZBQOSA-N 449.336 5.055 30 10 IKEE CC(C)(C)[C@@H](c1ccc(C(F)(F)F)cc1F)n1nc(C2CC2)c(C#N)c1Br 2079903756 JWGHKQFOZLPLTA-MRXNPFEDSA-N 444.270 6.188 30 10 IKEE CC[C@H](c1ccc(C(F)(F)F)cc1)n1nc(C(C)(C)C)c(C=NO)c1Br 2079907923 MMCGHVKSQZUEOV-CQSZACIVSA-N 432.284 5.769 30 10 IKEE CC1(C)OB(c2cnc(N(Cc3ccccc3)Cc3ccco3)c3sccc23)OC1(C)C 2116138953 SSKIGNBMRJBZCV-UHFFFAOYSA-N 446.381 5.395 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)C(C)(C)[C@H]1CCCCO1 2151440969 VNXDRGDOBSZSCR-QZTJIDSGSA-N 437.378 5.678 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H](Nc3cc(Br)cc(F)c3C#N)[C@H]1CC2 2163690446 UCVAGWFCDHUEPQ-QANKJYHBSA-N 438.341 5.192 30 10 IKEE C=CC[C@@](C)(CNC(=O)OC(C)(C)C)COc1cc(Br)nc(C(C)(C)C)n1 2202053899 CXVSQPIHQWNCFQ-FQEVSTJZSA-N 442.398 5.023 30 10 IKEE C#CCN(Cc1ccccc1)C(=O)c1cc(OC(F)(F)F)ccc1NC(=O)OC(C)(C)C 2221603861 IPGLLHIYGZVDLL-UHFFFAOYSA-N 448.441 5.208 30 10 IKEE CN[C@H](C#Cc1ccccc1Br)c1cc(Cl)cc(NC(=O)OC(C)(C)C)c1 2235723598 LHPHEBHQXKKLBF-LJQANCHMSA-N 449.776 5.762 30 10 IKEE C=CC1(C[C@H](NC)[C@@H](Cc2cccc(Br)c2)NC(=O)OC(C)(C)C)CCC1 2237409805 QQYTVKQEOHDKFA-MOPGFXCFSA-N 437.422 5.219 30 10 IKEE C[C@@H](N(Cc1ccccc1)C(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2247861347 JYYVTBHXFOKLCG-QGZVFWFLSA-N 427.419 5.124 30 10 IKEE C=C(C)CN(Cc1ccccc1)C(=O)c1cc(Cl)c(C)c(B2OC(C)(C)C(C)(C)O2)c1 2255649203 RASRZYMRKSBNRM-UHFFFAOYSA-N 439.792 5.166 30 10 IKEE Cc1cc(OCc2ccccc2)ccc1Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2268997181 GPCMCDSWXHLZNH-UHFFFAOYSA-N 434.320 5.151 30 10 IKEE C=CCOc1ccc(C=C2SC(=S)N(c3ccccc3Br)C2=O)cc1 2296038236 TXJFSAFYZUTJFZ-UHFFFAOYSA-N 432.364 5.420 30 10 IKEE CCn1cc(C=C2Oc3cc(OCc4ccccc4C)ccc3C2=O)c2cc(OC)ccc21 2296629405 RKYIULIMEAVBHM-UHFFFAOYSA-N 439.511 6.173 30 10 IKEE O=C1C(=O)N(Cc2ccco2)[C@H](c2ccc(Cl)cc2Cl)C1=C(O)c1ccccc1 2297059703 CWFYZPLFQJOJOV-LJQANCHMSA-N 428.271 5.208 30 10 IKEE CCCCCCCCOc1ccc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1 2297314430 WJQDTAAXXWEWHT-UHFFFAOYSA-N 434.536 5.088 30 10 IKEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2304201055 VNUPNNSFQLVEKO-RHGYRFJNSA-N 429.561 5.356 30 10 IKEE COc1ccc(N=C2SC(=Cc3sccc3C)C(=O)N2c2ccc(OC)cc2)cc1 2313543672 AOBPSYVXASFTRA-UHFFFAOYSA-N 436.558 5.882 30 10 IKEE CCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)cc2)SC1=Nc1ccccn1 2314542225 SZGGSKNLGZDPKZ-UHFFFAOYSA-N 449.963 5.938 30 10 IKEE CC#CCN(C[C@H](NCC)c1ccc(Br)cc1Cl)C(=O)OC(C)(C)C 2316095386 SAQSASHOPCGRDA-KRWDZBQOSA-N 429.786 5.014 30 10 IKEE Cc1ccc2nc(-c3ccc(NC(=O)C(=O)C=Cc4cccc([N+](=O)[O-])c4)cc3)sc2c1 2318788197 FLFQMTFYWMQKSZ-UHFFFAOYSA-N 443.484 5.401 30 10 IKEE CCCSc1nnc(C2CC2)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2320868024 YFGZTYVHQUOPPM-UHFFFAOYSA-N 426.973 5.772 30 10 IKEE CCCCCOc1ccc(C=Nn2c(S)nnc2CCCOc2ccccc2C)cc1 2322170877 XNSHHMXIPLZYKE-UHFFFAOYSA-N 438.597 5.338 30 10 IKEE Cc1ccc(CCN2COc3ccc4c(c3C2)OC(=Cc2ccccc2Cl)C4=O)cc1 2322218168 GPUQVKZJQSRMDW-UHFFFAOYSA-N 431.919 5.659 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc4c(c1)OCO4)C3=O)CN(CCC1=CCCCC1)CO2 2322377318 GCHOWOHMNANKPV-UHFFFAOYSA-N 445.515 5.382 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1ccccc1F)c1cccc(Br)c1 2322464961 GCFQYTLICFBKBN-UHFFFAOYSA-N 445.715 6.717 30 10 IKEE COc1ccccc1C(=O)C=Cc1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12 2322478907 GWGWLNLKOYWNTM-UHFFFAOYSA-N 439.467 6.232 30 10 IKEE O=C(C=Cc1cc(Br)ccc1OCCc1ccccc1)c1ccc(Cl)cc1 2322528308 ORVWYGWRQUDEQB-UHFFFAOYSA-N 441.752 6.620 30 10 IKEE CCCCCOc1ccccc1C=NNc1cnn(-c2cccc(Cl)c2)c(=O)c1Cl 2322607330 XLKLQESFRXBNRZ-UHFFFAOYSA-N 445.350 5.554 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccccc2C=CC(=O)c2ccc(C(C)C)cc2)c1 2322724946 BQVNFFVCBQHDMI-UHFFFAOYSA-N 427.544 6.340 30 10 IKEE CCOc1cc(C=NNc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl 2322926836 QWSNUHKLJJGMAC-UHFFFAOYSA-N 429.347 6.726 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccccc1OCC(=O)Nc1nccs1 2322926846 SJPBQMHTCJLIPA-UHFFFAOYSA-N 442.924 5.027 30 10 IKEE CCCCCCCCCOc1ccc(C=NNC(=S)Nc2ccccc2)c(Cl)c1 2323047452 RBFUCNBYFMPINK-UHFFFAOYSA-N 432.033 6.790 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3cccc(C)c3C)c2)c1 2323069073 NZYOHTXPEPNQKM-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE Cc1ccc(NC(=O)COc2cccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)c2)cc1 2323259632 KDGDEMBVRZQPPL-UHFFFAOYSA-N 427.544 6.142 30 10 IKEE CCCCC1CCC(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(F)c2)C3=O)CC1 2323652499 UKPKBQHBFCMVFK-UHFFFAOYSA-N 436.523 6.652 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OCC(=O)OCC(C)C 2323866065 MYNQKOLFHHBEQN-UHFFFAOYSA-N 436.548 5.515 30 10 IKEE N#C[C@@H](C(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2324398651 VQMQCZLYQQUHBF-INIZCTEOSA-N 444.299 5.915 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2cccc(F)c2)C3=O)c(C)c1 2324494670 TVUGDTRWLYEMTA-SFHVURJKSA-N 445.490 5.773 30 10 IKEE COc1cccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4cccc(C)c4C)ccc3C2=O)c1 2324498612 SRPJJCSEIMRFOX-GOSISDBHSA-N 443.499 5.334 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OCC(=O)NCc2ccco2)cc1 2324570992 HFQBRDZMXACWID-UHFFFAOYSA-N 431.532 5.477 30 10 IKEE CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C)o2)C3=O)c1 2324834484 JYUOBAYTGICFBY-QGZVFWFLSA-N 445.471 5.121 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)c(C)c1 2324882895 PXWRHWKKALFTMZ-UHFFFAOYSA-N 442.515 5.003 30 10 IKEE CCOc1ccccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccccc1F)C2=O 2324895324 UTAFXWUFARXHMU-UHFFFAOYSA-N 447.462 5.167 30 10 IKEE CCCOc1ccc(C=Nn2c(CC)nnc2SCc2ccc(F)cc2)cc1OCC 2324965389 QOUZESIZNJZCRO-UHFFFAOYSA-N 442.560 5.342 30 10 IKEE CCCN(CCC)C(=O)COc1cc(C)c2c(c1)OC(=Cc1cccc(Cl)c1)C2=O 2325198380 XYAQGDWBJNNXNO-UHFFFAOYSA-N 427.928 5.292 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccccc2[N+](=O)[O-])cc1 2325470967 BWAAOFNAINCTMW-UHFFFAOYSA-N 443.532 5.260 30 10 IKEE CCCCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccccc1OC 2325528937 YKBOJFQKLGSAQO-UHFFFAOYSA-N 449.407 6.111 30 10 IKEE COc1ccc(CCOc2cc(C)c3c(c2)OC(=Cc2cn(C)c4ccccc24)C3=O)cc1 2325631534 QOPQSTXJHMAOQK-UHFFFAOYSA-N 439.511 5.733 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2Cl)cc1OC(=O)Cc1ccccc1Cl 2325716688 FRVOXVNYUMWJCW-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE Cc1c(OCC(=O)Nc2ccccc2)ccc2c1OC(=Cc1c(F)cccc1Cl)C2=O 2325740122 CWLNVMYXEDVOFN-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE CCOc1ccc(C(=O)Oc2cccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)c2)cc1 2325756757 GTOLXBFIBGFILU-UHFFFAOYSA-N 428.528 6.434 30 10 IKEE CCSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1cccc(F)c1 2325911969 OXJYOXYTPHFKGZ-UHFFFAOYSA-N 425.316 5.297 30 10 IKEE Cc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1ccccc1OCC(C)C 2326320708 ASPJDRRHTNJDDH-UHFFFAOYSA-N 436.625 6.093 30 10 IKEE Cc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1cccc(Cl)c1Cl 2326322629 BGPKJAZSTLDEHN-UHFFFAOYSA-N 433.408 6.365 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2C)n1N=Cc1cccc2ccccc12 2327117311 PJMMTJIWBNDXJZ-UHFFFAOYSA-N 444.604 6.136 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3[N+](=O)[O-])n2N=Cc2ccccc2)cc1 2328436792 WOUJROUUCPOXLF-UHFFFAOYSA-N 443.532 5.260 30 10 IKEE Cc1cccc(CSc2nnc(COc3c(C)cccc3C)n2N=Cc2ccccc2)c1 2328552258 YUPPPCNGLGYERE-UHFFFAOYSA-N 442.588 5.957 30 10 IKEE C=CCSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1ccc(OCCC)cc1 2328962661 RKTKZDPVJITUOU-UHFFFAOYSA-N 434.609 5.629 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2N=Cc2cccnc2)c1 2329404022 JTQVKNCJHGLQKM-UHFFFAOYSA-N 427.577 5.364 30 10 IKEE Cc1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2[C@@H](C)c2ccccc2)cc1 2330075691 IHYMZVRAHGCEBQ-NRFANRHFSA-N 426.589 6.221 30 10 IKEE Cc1ccc(O)c(C=Nn2c(CC3CCCCC3)nnc2SCc2ccc(F)cc2)c1 2330234429 QLOFVCNLXFBMEU-UHFFFAOYSA-N 438.572 5.729 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccn2)c(Cl)c1)c1ccc(-c2ccccc2)cc1 2330599583 CJUGNZCGHYOOAH-UHFFFAOYSA-N 439.898 6.517 30 10 IKEE O=C(Cc1ccccc1)Oc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1[N+](=O)[O-] 2330664950 VVQRSEBMRLOGNV-UHFFFAOYSA-N 437.451 5.792 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3C)c([N+](=O)[O-])c2)cc1OC 2330727022 KVJOLUWXIRQQEP-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(CC)cc2)cc(OC)c1OC(=O)CCCSC 2330770109 MCDQBQWBJDQZGZ-UHFFFAOYSA-N 438.589 5.931 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)c1ccc(C)cc1 2330896072 JOSCFIVHVFHEHA-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2cccc(C)c2)cc1 2331037116 GNSFJFALRKVBDV-UHFFFAOYSA-N 447.608 5.420 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(SCc2ccccc2F)nnc1C1CCCC1 2331070817 NGNWNMJNUDPLDS-UHFFFAOYSA-N 438.572 6.037 30 10 IKEE COc1ccccc1C=Nn1c(SCc2cccc(Cl)c2)nnc1C1CCCC1 2331092629 IBHIFROHPNKQHR-UHFFFAOYSA-N 426.973 5.772 30 10 IKEE Clc1ccc(CSc2nnc(C3CCCC3)n2N=Cc2cccnc2)cc1Cl 2331092957 IPMGKVWZGJMRDA-UHFFFAOYSA-N 432.380 5.812 30 10 IKEE C[C@@H](Oc1ccc(Cl)cc1)C(=O)Oc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1 2331116105 KPLUMSFGCIMSEU-MRXNPFEDSA-N 441.310 6.262 30 10 IKEE Oc1ccc(Cl)cc1C=Nn1c(SCc2ccc(F)cc2)nnc1-c1ccco1 2331182885 DRBFDBWGEAFSDX-UHFFFAOYSA-N 428.876 5.211 30 10 IKEE Fc1ccc(CSc2nnc(-c3ccco3)n2N=Cc2c(F)cccc2Cl)cc1 2331183060 GLDGKCNKRFKRTE-UHFFFAOYSA-N 430.867 5.644 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)CCc1ccccc1 2331183443 LMMPNFUUENCGSU-UHFFFAOYSA-N 426.512 5.858 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)cc3)c([N+](=O)[O-])c2)c(C)c1 2331225508 DTURSYXAYLVJDB-UHFFFAOYSA-N 435.863 5.980 30 10 IKEE CCCOc1cccc(C=Nn2c(CCOC)nnc2SCc2cccc(Cl)c2)c1 2331306063 GDGMEYQIMHFKLA-UHFFFAOYSA-N 444.988 5.084 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)c1cc(C)cc(C)c1 2331539696 KXGJTIPYEPVHKN-UHFFFAOYSA-N 444.502 6.295 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCSC)cc2)c(OCC)c1 2331733044 JOQJLXHJIIAIIZ-UHFFFAOYSA-N 428.550 5.429 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)Cc2ccc(Cl)cc2)cc1 2331871495 XJQFGHDLDINDFL-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2OC)cc(Cl)c1OC(=O)C(C)C 2331877331 QPWJPBKIBVUYOY-UHFFFAOYSA-N 437.319 5.858 30 10 IKEE CC(C)c1cc(C(C)C)cc(-n2nnc(C#N)c2NC(=O)C=Cc2cccc(Cl)c2)c1 2332187172 DIJUBHXUZRETQN-UHFFFAOYSA-N 433.943 5.691 30 10 IKEE CN[C@@H](C#CC1(OC)CCC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2337414224 BMNGLGGQFCLNRL-SANMLTNESA-N 441.571 5.678 30 10 IKEE CC1(C)OB(C=Cc2ccc(NC[C@H]3CCCCN3Cc3ccccc3)nc2)OC1(C)C 2339535735 OCYFXNHSYIPOFV-HSZRJFAPSA-N 433.405 5.193 30 10 IKEE Cc1cc(Br)c(Oc2cc(C#N)c(N)cc2C)cc1NC(=O)OC(C)(C)C 2370350231 YJQJYEZYYFCLRG-UHFFFAOYSA-N 432.318 5.659 30 10 IKEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CSCc1sc(Cl)cc1C#CCCO 2372408781 QRYZZMXGNQNPED-HOCLYGCPSA-N 430.035 5.014 30 10 IKEE CCc1c(C)sc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccco2)N3)c1C#N 2475872 HRCMLIAHSZCVTI-BBRMVZONSA-N 449.458 5.193 30 10 IKEE CSc1ccc([C@@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccccc4)nn32)cc1 17099161 IGTPRNKEPAEPKP-OAQYLSRUSA-N 434.590 5.314 30 10 IKEE Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@H]3c2ccc(O)c(O)c2)cc1 17101412 VDEXBJLFOQKVLE-QYBDOPJKSA-N 437.499 5.172 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3cccc(F)c3)nn1[C@H]2c1ccccc1 20850502 JQMNDMOPLWXOSP-NRFANRHFSA-N 434.540 5.368 30 10 IKEE O=C1C[C@H](c2ccccc2Cl)CC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1N2 20886160 MQBBRXKIZNUAOY-PUAOIOHZSA-N 445.906 6.228 30 10 IKEE COc1cccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(C(C)(C)C)cc2)C3)c1OC 21251326 MOHWLUOJNXNJRR-PXNSSMCTSA-N 433.548 5.006 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2c2nccs2)c1 35521213 KBCUVJWSMJJOPH-SSSWZJSRSA-N 446.528 5.114 30 10 IKEE C=CCOc1cccn2c(=O)c(-c3cc(C)n(-c4ccc(Cl)c(Cl)c4)n3)c(C)nc12 35911408 IOHDGFJJRZVAOD-UHFFFAOYSA-N 441.318 5.036 30 10 IKEE C=CCOC[C@@H](O)CN(CCC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1 36316306 SOPNAQBCLWQXKK-QHCPKHFHSA-N 449.595 5.003 30 10 IKEE CCCCN(CCCC)Cc1c(O)ccc2c1O/C(=C/c1ccc(Cl)cc1Cl)C2=O 37857836 BVRMDAIBQYJEHH-LPYMAVHISA-N 448.390 6.717 30 10 IKEE Cc1cccc(/N=C2/S/C(=C/c3ccc(Br)o3)C(=O)N2c2ccccc2)n1 39863544 LCEWTVUQJUGHTC-QRBKGRKMSA-N 440.322 5.554 30 10 IKEE C=C(Br)Cn1c(CCCCCNC(=O)c2ccc(F)cc2)nc2ccccc21 40214406 XXQLLUQZLJHNAX-UHFFFAOYSA-N 444.348 5.227 30 10 IKEE COc1cccc(-c2c(C#N)c(SCc3ccc(Cl)cc3)nc3c2CN(C)CC3)c1 40569966 OMVFLWHMWGPZHP-UHFFFAOYSA-N 435.980 5.562 30 10 IKEE C[C@H]1Oc2ccc(-c3csc(-c4ccccn4)n3)cc2N(Cc2ccccc2C#N)C1=O 40603309 ZYSYLWSEJZOTMD-MRXNPFEDSA-N 438.512 5.058 30 10 IKEE COc1ccccc1C(=O)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 41285844 YLRPWWWVLFKFPG-IWIPYMOSSA-N 442.511 6.137 30 10 IKEE Cc1c(OC(=O)c2ccc(C(C)(C)C)cc2)ccc2c1O/C(=C\c1ccc(F)cc1)C2=O 41288384 HXACUPYAABHVBZ-HAHDFKILSA-N 430.475 6.267 30 10 IKEE O=C1c2cccc3cccc(c23)C(=O)N1c1ccc(/N=C/c2ccc(Cl)cc2Cl)cc1 59471558 ANWVKBJHHHGCIP-CCVNUDIWSA-N 445.305 6.698 30 10 IKEE Cc1cc(/C=C2/S/C(=N\c3cccc(Cl)c3Cl)NC2=O)c(C)n1C1CCCCC1 59566851 BRXHIBVPZQYGQG-XDHOZWIPSA-N 448.419 6.809 30 10 IKEE CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1 100066559 NFEHZPZLFITKMM-UHFFFAOYSA-N 444.812 10.085 30 10 IKEE CCCCCCCOc1cccc(NCC(=O)Nc2cccc(C(=O)N[C@@H](C)CC)c2)c1 100090221 KCSDCCBVQRSXCZ-FQEVSTJZSA-N 439.600 5.615 30 10 IKEE CCCCCCCCN1C(=O)/C(=C\Nc2cc(Cl)ccc2O)C(=O)N(CCCC)C1=O 100167850 NXBCRAFZZWCCCI-VLGSPTGOSA-N 449.979 5.293 30 10 IKEE Cc1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(C)c(Cl)c3)CC(=O)N2C)cc1Cl 100262583 SAVXSTUPKQEFBN-DJUDNFEDSA-N 436.364 5.200 30 10 IKEE CCCCCCCCCn1c(CCCNC(=O)/C=C/c2ccccc2)nc2ccccc21 101322785 VHVMCGKQWUDWIN-QZQOTICOSA-N 431.624 6.549 30 10 IKEE CCCCCCCOCc1ccc(-c2ccc3c(c2)[nH]c(=O)n3CCCCCCC)cc1 102550321 VLNMSGBMUWVFIV-UHFFFAOYSA-N 436.640 7.454 30 10 IKEE CCCCCCCCOc1ccc(/C=C2\C=C(c3ccc(OC)c(OC)c3)OC2=O)cc1 102660522 MVTQGERUFVZPPG-OQKWZONESA-N 436.548 6.424 30 10 IKEE COc1ccc(N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 169885340 QWINKDPDNWQUTE-DHRITJCHSA-N 431.319 6.036 30 10 IKEE CCCOc1c(Br)cc(/C=N\Nc2nc3cc(C)ccc3[nH]2)cc1OCC 169893484 XOIIQJXJDUYWPR-UUYOSTAYSA-N 431.334 5.267 30 10 IKEE COc1cccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccc(C)cc2)c1 169935052 RKJJIYGGOVGATC-RUZDIDTESA-N 427.500 5.106 30 10 IKEE CCCOc1ccc(/C=N\Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1OC 169943100 LASWIFOEWZOQQO-QRVIBDJDSA-N 427.526 5.071 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@@H]2c2ccccn2)cc1C 169996797 IRQZIBBFLSIVFW-JOCHJYFZSA-N 432.907 5.443 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccnc2)c1 170000585 ZUWFLJGCVLVYHK-HSZRJFAPSA-N 440.455 5.009 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccccc2)c1 170048816 LCZKQYWBHSDEME-VWLOTQADSA-N 425.528 6.210 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccc(F)cc2)c1 170060499 LFGKEYUZZKWPMX-QHCPKHFHSA-N 442.446 5.099 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccco1 170090558 PLITWNASZWIULH-JOCHJYFZSA-N 431.488 5.369 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccco2)cc1 170090759 AVRXKMFGFYFUME-HSZRJFAPSA-N 441.483 6.106 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2sccc2C)c1 170104974 WDJANCVZCRIEGZ-NRFANRHFSA-N 449.528 5.247 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@H]1c1cccc(C)c1 170147450 OSNVZVCWTLRIKM-XMMPIXPASA-N 435.564 5.896 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccncc2)c1 170197824 UNLRLLCOWPTMNK-XMMPIXPASA-N 436.467 5.026 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cccc(OCC)c1 170218414 IVOFJWQZQGACEK-JOCHJYFZSA-N 425.500 5.301 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(F)cc2)cc1 170239889 KMIJHZNUYQEHQD-XMMPIXPASA-N 445.490 5.706 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccccc1F 170253266 JEAUNOMSFIATGW-QFIPXVFZSA-N 425.500 5.381 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@@H]1c1c[nH]c2ccccc12 170256179 ZJTZPTSBGDMKPA-DEOSSOPVSA-N 446.547 5.644 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)CCCO3)=C(O)C(=O)N1c1ccccc1C 170273240 WIDSAFQDBHEYHH-VWLOTQADSA-N 439.511 5.411 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(C)o2)ccc1Cl 170297932 GBXPCAJULAIMJT-LJQANCHMSA-N 443.908 5.090 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@H]1c1ccc(C)o1 170300083 AKRIEAIRXXHYAO-QHCPKHFHSA-N 431.488 5.305 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccc(F)cc2F)o1 170305826 WSCRWRWHSWAGAY-OAQYLSRUSA-N 435.382 5.395 30 10 IKEE CC1(C)OB(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc2)OC1(C)C 203605710 ZXWQPUBRFNTAOB-UHFFFAOYSA-N 446.359 6.145 30 10 IKEE CCCCCCCCn1c(CCCCCNC(=O)/C=C\c2ccccc2)nc2ccccc21 205739770 SQIPOSSPNQPRSO-DQRAZIAOSA-N 445.651 6.939 30 10 IKEE C=C(C)[C@@H]1CC[C@]2(C(N)=O)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CCC(=O)C[C@H]5CC[C@@]43C)[C@@H]12 253531384 IIMYCYVBVMITJJ-AHRQKPSYSA-N 425.657 6.062 30 10 IKEE C(=NNc1nnc(NN=Cc2c[nH]c3ccccc23)c2ccccc12)c1c[nH]c2ccccc12 254308982 DHEBSXPPXHNNBL-UHFFFAOYSA-N 444.502 5.484 30 10 IKEE Cc1cccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(Sc3ccc(Cl)cc3)C2=O)c1 526663956 GOFNNEMSIAPQIR-UHFFFAOYSA-N 445.931 5.509 30 10 IKEE CCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1c(C)n(CC)c2ccccc12 526811839 UPDQMKCNFPCSQX-YSMPRRRNSA-N 431.609 5.915 30 10 IKEE Cc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2ccc(N3CCCCC3)cc2)cc1 586198945 FKJBGYOINILFJJ-UHFFFAOYSA-N 445.588 5.253 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1ccc2c(c1)CCO2 698443617 KFHNVIFDVRSTOB-GOSISDBHSA-N 429.314 5.390 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1ccc(F)c(Cl)c1 698452249 PTMAJUNELMWVMM-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE COc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)cc1F 698482650 QFYQCTHACXWZHU-QGZVFWFLSA-N 435.293 5.603 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@H]1CCCN1C(=O)OC(C)(C)C 698484038 MSCDRYLLLVBSTC-NTKDMRAZSA-N 429.561 5.418 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@H](C#N)c1ccc(OCc2ccccc2)cc1 698826420 FROFNRWYDNIWPQ-HSZRJFAPSA-N 434.561 6.329 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@H](C#N)c1ccc(Br)cc1Cl 698843775 YACSOBGOAFFUKK-GOSISDBHSA-N 441.797 6.627 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)CC1 707365734 UTBQRKNWHCROIR-HSZRJFAPSA-N 449.979 5.765 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 724069291 ITYWBRLWTNGFBN-WAIKUNEKSA-N 433.524 5.154 30 10 IKEE C=C1CCC(C[C@H](N)C2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)CC1 724570340 QLRLUMUWZJWESL-QHCPKHFHSA-N 427.633 5.010 30 10 IKEE Cc1nn(C)c(Oc2ccc(F)cc2)c1/C=N/OCc1cc(Cl)c(Cl)cc1Cl 1088719618 NKGYZSCHVCGZHB-PGGKNCGUSA-N 442.705 6.171 30 10 IKEE CCCCCN1/C(=N/c2ccc(C)cc2)S[CH][C@@H]1c1ccc(S(=O)(=O)N(C)C)cc1 1614596280 OFLAQMYUYDZJGM-PDWGEAQMSA-N 444.646 5.375 30 10 IKEE CC(C)[C@H](C(=O)OCc1c(F)c(F)c(F)c(F)c1F)c1ccc(C(F)(F)F)cc1 1616047054 XXUFHDXVUAPMGM-LBPRGKRZSA-N 426.303 5.884 30 10 IKEE Cc1ccc(COc2ccc(/C=C3/SC(=Nc4nc(C)cs4)N(C)C3=O)cc2)cc1 1772733605 KVBPSJQNXOXBBV-HHZJYHKJSA-N 435.574 5.573 30 10 IKEE COc1cccc(-c2nn(-c3ccc(F)cc3)cc2/C=N\NC(=S)Nc2ccccc2)c1 1857808941 NCNIGEIKDSTRKR-YSMPRRRNSA-N 445.523 5.008 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)/C=C/c1ccc(Cl)cc1Cl 1861554795 BMAUXHWXVDTZMZ-AXDNMFEOSA-N 441.443 6.158 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)/C=C/c1ccc(OCC)c(OC)c1 1861582960 RZXYZJGRQXWESQ-WTYVIMSDSA-N 446.632 5.259 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CCCCCC2)c1 1862414355 YDFWFNNMEJGUAF-QFIPXVFZSA-N 441.474 5.275 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2Cl)cc1 1862477473 XTSXUSQUXNSTFM-QHCPKHFHSA-N 431.919 5.735 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccccc2)cc1 1862487069 RRGZKWQJMNQROG-FQRUVTKNSA-N 439.555 6.205 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(N(C)C)cc1 1862504500 VUSBWODVFUQUQH-HSZRJFAPSA-N 438.543 5.359 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1ccccc1C 1862514598 KADGFDBOSNNMNZ-DEOSSOPVSA-N 435.564 5.942 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1F)c1ccc2c(c1)CCCC2 1862545256 VQIOZEONPBCXNJ-RUZDIDTESA-N 441.502 5.483 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2Cc2ccncc2)c1 1862612982 CFNNWOOWBIRSIV-XMMPIXPASA-N 440.543 5.466 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(C(F)(F)F)cc1 1862655677 NEDVAHLUMFEMGH-OAQYLSRUSA-N 439.433 5.845 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(Cl)cc2)C1=O 1862789434 JFHHDQLEWNAHHN-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(F)c(Cl)c3)C2=O)cc1C 1862872626 JEJUEGPTDIYGNA-UHFFFAOYSA-N 445.881 5.364 30 10 IKEE N#Cc1cccc(NC2=C(c3ccccc3Cl)C(=O)N(c3ccc(Cl)cc3)C2=O)c1 1863070964 OOYODCATBGIBAX-UHFFFAOYSA-N 434.282 5.262 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc3nc[nH]c3c2)=C(c2ccccc2OC)C1=O 1863429900 INLAZLLHJLEFSL-UHFFFAOYSA-N 446.551 5.124 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(Cl)cc2)=C(c2ccc(F)c(C)c2)C1=O 1863458420 ZNYYIXSZXGEUJD-UHFFFAOYSA-N 442.962 6.340 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(F)cc2F)C(=O)N(C2CCCC2)C1=O 1863655339 PFZKLTBICQTZIJ-UHFFFAOYSA-N 432.555 5.718 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2cccs2)=C(c2ccccc2Cl)C1=O 1863778751 SFBADQVQODBMBP-UHFFFAOYSA-N 431.001 5.632 30 10 IKEE CCCCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CSc1ccccn1 1870165834 QDCJXCCGQADTQG-UHFFFAOYSA-N 442.669 7.021 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2)c(=O)cc1CN(CCC)CCCC 1870468617 LZMJLEWYZYVWMB-UHFFFAOYSA-N 440.672 6.800 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O3)CN([C@@H]1CCCC[C@@H]1C)CO2 1871351201 PJLDUADOUXZVQW-WDLFRFSBSA-N 434.492 5.250 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4cc(Cl)ccc4Cl)cc(C)c3C2=O)cc1 1871381004 IMYKDXUXPOXQKN-FBHDLOMBSA-N 439.294 6.446 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4cccc(OC(C)C)c4)cc(C)c3C2=O)cc1 1871387836 CEVPVKCIZLJDTR-CFRMEGHHSA-N 444.483 5.626 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1cccnc1)C2=O)c1ccc(OCc2ccccc2)cc1 1871389173 XIFOMPNORSUCAR-YSMPRRRNSA-N 449.462 5.496 30 10 IKEE Cc1cc(OCCCOc2ccccc2)cc2c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O2 1871398137 KNBISNOFHPHOIE-ONUIUJJFSA-N 428.528 6.583 30 10 IKEE CCc1ccc(OCCCOc2ccc3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)cc1 1871413299 XWYBNVMIXAJKSM-XYGWBWBKSA-N 445.471 5.621 30 10 IKEE CCOc1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1sccc1C)C2=O 1871418330 OEGVSOIIFOWKBX-BKUYFWCQSA-N 435.501 5.089 30 10 IKEE COc1ccc(C)cc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1cccs1)C2=O 1871428775 SBHYFEGCGDSLAE-MTJSOVHGSA-N 435.501 5.007 30 10 IKEE Cc1ccc(CCOc2cc(C)c3c(c2)O/C(=C\c2cccc(Br)c2)C3=O)cc1 1871437698 YCVATSYTHMYZNI-UCQKPKSFSA-N 449.344 6.304 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCC(=O)NCc4ccccc4Cl)cc(C)c3C2=O)c1 1871445517 CWSHHGOKOZHXAK-FMCGGJTJSA-N 447.918 5.268 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccccc1CC)C(C)C)S(=O)(=O)c1c(C)cc(C)cc1C 1872467914 PXHSFXOKVXJDDI-HSZRJFAPSA-N 442.625 5.014 30 10 IKEE COc1ccc(C)cc1-c1csc([C@H](C#N)C(=O)[C@H](C)Oc2ccc(C(C)C)cc2)n1 1872770812 FTLPYMHDKGRRTR-LAUBAEHRSA-N 434.561 5.894 30 10 IKEE CC(C)c1ccccc1O[C@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc(C(C)(C)C)cc2)cs1 1872773056 JZMDZMLJAXPUNH-XMSQKQJNSA-N 446.616 6.875 30 10 IKEE CCc1cccc(C)c1N1C[C@H](C(=O)[C@H](C#N)c2nc(-c3ccc(F)cc3)cs2)CC1=O 1872775941 DVGAUMILFVRVTI-QUCCMNQESA-N 447.535 5.049 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OCC(C)C)cc3)n2)c(C)c1C 1872778339 JFNDNIVIEHQKOL-NRFANRHFSA-N 434.561 5.960 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(OC)cc3)n2)c(OCC)c1 1872783906 LCRBZEZVRYLXBE-FQEVSTJZSA-N 436.533 5.035 30 10 IKEE C=CCc1ccccc1OCc1cccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)c1 1872834456 XMOKWITYOVWIEI-UHFFFAOYSA-N 434.539 6.990 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(-c3ccccc3C)cc1)n2C 1873656042 JXTIRSNTKDVBNB-UHFFFAOYSA-N 437.547 5.374 30 10 IKEE N#Cc1cccc(NC(=O)[C@H]2c3ccccc3C(=O)N(Cc3ccccc3)C23CCCC3)c1 1873866636 BVXHABVAKUISDP-RUZDIDTESA-N 435.527 5.249 30 10 IKEE CCCSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1sccc1C 1874209062 ACZWTVPREHXPGI-UDWIEESQSA-N 435.416 5.386 30 10 IKEE C=CCSc1nnc(COc2ccccc2OCC)n1/N=C/c1ccc(Cl)cc1 1874243325 ZOTLPBFGBYEKBW-OEAKJJBVSA-N 428.945 5.070 30 10 IKEE CCCSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874277571 XDTBOUXVVPRVLU-BIKZULFDSA-N 441.645 5.074 30 10 IKEE CCSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1c(OC)ccc2ccccc12 1874327150 ZLAKXLWWQSRYAD-CVKSISIWSA-N 446.576 5.630 30 10 IKEE Cc1ccccc1/C=N/n1c(COCc2ccccc2)nnc1SCc1ccccc1 1874355503 NEMMNNSHZKMWSN-WGOQTCKBSA-N 428.561 5.478 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2Cl)n1/N=C/c1cccnc1 1874362281 WSPROHSXJARCCU-JVWAILMASA-N 447.995 5.595 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3F)n2/N=C/c2ccccc2F)c1 1874374552 BSUCGDQVYIEOBH-JFLMPSFJSA-N 434.515 5.630 30 10 IKEE Oc1ccccc1/C=N/n1c(CCc2ccccc2)nnc1SCc1cccc(Cl)c1 1874404251 ORGUGBAWOBYGSU-WGOQTCKBSA-N 448.979 5.597 30 10 IKEE CCCSc1nnc(C2CCCC2)n1/N=C/c1ccc(OCc2ccc(C)cc2)cc1 1874456669 FPNPFPMVMPZEHS-YZSQISJMSA-N 434.609 6.207 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2ccccc2C)nnc1-c1ccco1 1874464528 OCRRINLZKZKTEB-PCLIKHOPSA-N 430.533 5.586 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2cccc(F)c2)cc1OC 1874573089 VDSVSRGNYJAQBH-RMKNXTFCSA-N 426.871 5.971 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C(C)C)cc2)c1OCC(=O)NCc1ccccc1 1874583929 NJVLZXUCDKYIMF-WUKNDPDISA-N 443.543 5.410 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cc(Cl)ccc1OCc1ccc(C)cc1 1874584935 IWXJOQBDJUEBQL-JLHYYAGUSA-N 448.990 7.430 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C)c(C)c2)c1OCC(=O)N[C@@H](C)c1ccccc1 1874587762 CJEUJBXBDIWRTC-ANUWBXLYSA-N 443.543 5.464 30 10 IKEE COC(=O)c1ccc(COc2ccc(Cl)cc2/C=C/C(=O)c2c(C)cc(C)cc2C)o1 1874589900 IQPMJASYUMDVHP-VMPITWQZSA-N 438.907 6.120 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OCC(=O)NCc2ccccc2)c1 1874599758 CCPWKEYZKKDSOV-JQIJEIRASA-N 441.571 5.884 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Cl)c1OCc1ccccc1 1874612016 WYMBQVAKFCLJSY-DHZHZOJOSA-N 428.862 6.492 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1nccs1 1874614360 NCJVUERMGVYDRC-YCRREMRBSA-N 442.924 5.109 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 1874616078 IUAVEINCDQUPPN-FMIVXFBMSA-N 449.934 5.879 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3F)cc2)c(C)c1C 1874628176 PSRYNYQXMISIHF-GXDHUFHOSA-N 433.479 5.365 30 10 IKEE COc1cccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(Br)cc3)c2)c1 1874694971 DYQZWBNOYJELLQ-MDWZMJQESA-N 437.289 5.573 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OC(=O)c1ccc(C(C)(C)C)cc1 1874700863 QGAGPXMKHKMTGH-PJQLUOCWSA-N 448.946 6.761 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(C(C)C)cc2)CSc2nnc(CCC)n21 1874867216 ZNVXKFJXKBXDTP-QFIPXVFZSA-N 442.673 6.416 30 10 IKEE O=C(Cc1ccc(F)cc1F)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1 1875096999 PQPQXHSLMLAKTA-VGOFMYFVSA-N 432.466 5.888 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)cc3F)cc2)cc1OC 1875099096 RWURSXRITNJVFW-VZUCSPMQSA-N 438.426 5.026 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)C(c3ccccc3)c3ccccc3)cc2)c1 1875102409 GJRPJHJHOYWTCY-LVZFUZTISA-N 448.518 6.329 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cc(C)ccc3C)c(OC)c2)cc1 1875115366 ZQUCGFISGOQCQF-NTUHNPAUSA-N 430.500 5.365 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)c1cccs1 1875121900 BAOQEWJIJKKOGT-JXMROGBWSA-N 440.467 5.879 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1ccc(F)c(F)c1 1875144300 OEUMEJSRIAHSRG-WEVVVXLNSA-N 438.426 5.406 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc1Cl 1875160966 RGSYJBAWMLOAHC-FMIVXFBMSA-N 428.956 6.638 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccco2)c(Cl)c1 1875161047 VXHQVQYVYMNADU-JXMROGBWSA-N 438.907 6.354 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)CC(C)(C)C)c([N+](=O)[O-])c1 1875170930 WVLJLJGCRDUCDA-VQHVLOKHSA-N 425.481 5.458 30 10 IKEE CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1cc(CC(=O)O)cc(N=[N+]=[N-])c1 1887512047 VUMJPJATXOUMMD-UHFFFAOYSA-N 428.448 5.641 30 10 IKEE O=C(Nc1c(F)cc(F)cc1Br)c1ccc(C(F)(F)F)cc1C(F)(F)F 1889934503 WAYHWOQJSLZKPZ-UHFFFAOYSA-N 448.107 6.017 30 10 IKEE N#CC1(c2ccccc2)CCN(C(=O)c2cc(Cl)c(Cl)c(Cl)c2Cl)CC1 1891389760 IDPPNERSOAPCNO-UHFFFAOYSA-N 428.146 5.998 30 10 IKEE Cc1cc(Br)c(F)c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2C)c1 1927527963 HHOXXGIGVOZKNF-GOSISDBHSA-N 433.321 6.211 30 10 IKEE CC[C@@](C#N)([C@@H](C)NC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)c1ccc(OC)cc1 1944154351 UYSVQXXJJWQPJF-WAIKUNEKSA-N 433.549 5.022 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCC[C@@H]2CNC(=O)OC(C)(C)C)c1 1944590215 UFRYNCRNWDPHAW-HOYKHHGWSA-N 429.561 5.324 30 10 IKEE CC(C)(C)OC(=O)N1CCC([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)CC1 1944712948 KICCPXZQUAKAML-LJQANCHMSA-N 433.524 5.106 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)CC12CCC2 1949859160 GZXYAQPSXHHIEV-HSZRJFAPSA-N 447.601 5.311 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@H](C#N)[C@@]1(C)CCCN1C(=O)OC(C)(C)C 2020804423 OVSNYZMMPBOTHH-WZONZLPQSA-N 449.979 5.763 30 10 IKEE CCCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCN(C(=O)OC(C)(C)C)C12CCCCC2 2024621331 SSPOXKFLJSPNBY-XMMPIXPASA-N 435.609 5.630 30 10 IKEE CCCCCCCC[C@@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 2035471793 XAJIHPUCKHOCHR-DQEYMECFSA-N 448.692 6.605 30 10 IKEE Cn1c(=O)c(C(=O)C=Cc2ccc3c(c2)OCO3)c(-c2ccccc2)c2ccc(Cl)cc21 2042436701 HCDLWPXFBBMRHO-UHFFFAOYSA-N 443.886 5.484 30 10 IKEE O=C(C=Cc1cccc(NC(=O)c2ccccc2Cl)c1)c1cccc(N2CCCC2=O)c1 2042448355 OCBAMWUIDNQYKH-UHFFFAOYSA-N 444.918 5.615 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)C1(NC(=O)OC(C)(C)C)CC(C(C)(C)C)C1 2047690332 PABJJTVGPNDZFU-ZOCBXBDSSA-N 444.660 5.847 30 10 IKEE Cc1ccc([C@@H](n2nc(C(C)C)c(C#N)c2I)C2(C)CC2)cc1F 2079088886 LASKIMILBQANNN-QGZVFWFLSA-N 437.300 5.320 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCC)c2cc(Cl)cc(Br)c2)C1 2136653672 QNVIWWDNUWZUCL-KRWDZBQOSA-N 443.813 5.614 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1nc(CCC)[nH]c1Br 2143951219 KPKUUIPDCPMUOZ-HOCLYGCPSA-N 443.430 5.025 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@](C)(C#N)[C@@H]1C[C@H]2[C@@H](C1)C2(C)C 2149728793 LZPJVJAIQYDKNZ-JEZSTIGHSA-N 433.390 6.155 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CN(c2cccc(Br)c2C#N)C2(CCCCC2)C1 2174808646 QMNJNGSRBXKPDC-HNNXBMFYSA-N 434.378 5.127 30 10 IKEE CCCCN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(C#N)c(Br)c1 2174814406 HPMCSYFKQPHNTE-SFHVURJKSA-N 436.394 5.327 30 10 IKEE C=CCC[C@@](C)(CO)N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCCC1 2211069488 ONZAROWEEDVITM-LJAQVGFWSA-N 447.619 6.678 30 10 IKEE C=C[C@H](C)C[C@@H](NC)c1sc(Br)c(Br)c1Br 2212201143 UFRKSJHSZFPEQN-NKWVEPMBSA-N 432.019 5.508 30 10 IKEE CC(C)(C)OC(=O)N(C1CCC1)[C@@H](C#N)c1cc(C(F)(F)F)ccc1Br 2228087570 CQKHGXSIMBHVOR-HNNXBMFYSA-N 433.268 5.822 30 10 IKEE Cc1cnc(Nc2ccc(OCc3ccccc3)cc2C)c(B2OC(C)(C)C(C)(C)O2)c1 2232282709 QOIBZOJMGQHFQE-UHFFFAOYSA-N 430.357 5.320 30 10 IKEE C#CCCCC[C@H](NCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237398077 AHDHDOSHEDBPJI-VQTJNVASSA-N 437.422 5.057 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)C1=CCC(F)(F)CC1 2237402620 MABAKHDATXNVQU-INIZCTEOSA-N 444.316 5.200 30 10 IKEE C=C(CC)C[C@H](NCCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237421540 HZMKEVNFPPDEEB-VQTJNVASSA-N 439.438 5.609 30 10 IKEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1sc(Br)c(C)c1C 2254674388 UFBXQBCVRSVDGD-HUUCEWRRSA-N 429.424 5.085 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2sc(Br)c(C)c2C)c1 2265880199 NFMZYUWLSIKAIW-INIZCTEOSA-N 435.387 6.442 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Br)cc(C(C)C)c1 2265998745 RBHDMPYIBVFNNT-RTBURBONSA-N 425.411 5.693 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)Nc2ccccc2OCc2ccccc2)c1 2282111221 REYGNLANKXAXAJ-UHFFFAOYSA-N 443.352 5.126 30 10 IKEE CCCCCCCCCCSc1nc2c(c(O)nc(=O)n2C)n1CC=C(C)Cl 2293618974 LFHHFPOSQMHFET-UHFFFAOYSA-N 427.014 5.211 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(F)c([C@H](N)C#Cc2cccc(Br)c2)cc1F 2296230847 XODVUNWNZIFEJX-QGZVFWFLSA-N 437.284 5.126 30 10 IKEE CCCCCCCOc1ccc(C=c2sc3nc(C=Cc4ccccc4)nn3c2=O)cc1 2296720305 MQKSSKISGXYPIP-UHFFFAOYSA-N 445.588 5.218 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(OC)c(OCc3ccccc3Cl)c2)SC1=S 2297559053 HHWZJVZFFDQEHR-UHFFFAOYSA-N 431.966 5.315 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC[C@](C#N)(N(C(=O)OC(C)(C)C)C3CCCCC3)C2)C1 2301580080 MVVMFBUYITZMCO-DEOSSOPVSA-N 433.593 5.240 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2304191620 VJBAGNNIVYZEKY-RBUKOAKNSA-N 427.545 5.110 30 10 IKEE COc1ccc(COc2ccc3c(c2)OC(=Cc2ccc(Cl)c(Cl)c2)C3=O)cc1 2314437758 WBDXEPSOLUAOEQ-UHFFFAOYSA-N 427.283 6.197 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cccc(OCc2ccccc2)c1 2314470395 GROQVJWSSFWMIF-LOSJGSFVSA-N 436.596 5.613 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=Nc1ccc(C)cc1 2314486169 BCRQYGMINNJOLS-UHFFFAOYSA-N 445.500 5.953 30 10 IKEE CN1C(=O)C(=Cc2ccc(-c3c(Cl)cccc3Cl)o2)SC1=Nc1ccccn1 2314541229 HVBPRSVJFOLYBL-UHFFFAOYSA-N 430.316 5.882 30 10 IKEE CCCCOc1ccc(C=C2SC(=Nc3ccncc3Cl)N(CC)C2=O)cc1OC 2314541834 CISHSSPDLJNLGU-UHFFFAOYSA-N 445.972 5.546 30 10 IKEE CSC1(C#C[C@H](N)c2ccc(NC(=O)OC(C)(C)C)c(Br)c2)CCC1 2314668859 NRIILWBZLDANHV-HNNXBMFYSA-N 425.392 5.085 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)cc1 2318881713 XWKDQZDSDZOBLT-PWRODBHTSA-N 443.588 5.712 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc4c3CN(Cc3ccccc3OC)CO4)C2=O)cc1 2321993658 SGERWULLHOPIDQ-UHFFFAOYSA-N 427.500 5.226 30 10 IKEE CCn1cc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCOC(C)C)C4)c2ccccc21 2322015423 ZXDRDDPGUFEVMG-UHFFFAOYSA-N 446.547 5.163 30 10 IKEE COCCCN1COc2c(cc3c(c2C)OC(=Cc2c(Cl)cccc2Cl)C3=O)C1 2322328666 ASLLDFIIGDTLIO-UHFFFAOYSA-N 434.319 5.106 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(Cl)cc1Cl)C3=O)CN(CCCCCO)CO2 2322371397 JLSRIOUBNRKWOD-UHFFFAOYSA-N 448.346 5.233 30 10 IKEE CCOc1c(Br)cc(Br)cc1C=CC(=O)c1cccc(OC)c1 2322371845 WPOHGARPFXTKAR-UHFFFAOYSA-N 440.131 5.515 30 10 IKEE CCc1ccc([C@@H](C)N2COc3c(cc4c(c3C)OC(=Cc3ccccc3C)C4=O)C2)cc1 2322455517 XWQPOXLJCGOWEF-HXUWFJFHSA-N 439.555 6.395 30 10 IKEE COc1cccc(C=CC(=O)c2cccc(Cl)c2)c1OCC(=O)N[C@@H](C)c1ccccc1 2322527984 JXNPTRJDVJGBGK-SFHVURJKSA-N 449.934 5.501 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(Cl)cc2)c1OCC(=O)OCC(C)C 2322528652 RHBGXUQSCJWCDF-UHFFFAOYSA-N 437.319 5.476 30 10 IKEE Cc1ccc(C(=O)C=Cc2c(OCC(=O)Nc3nccs3)ccc3ccccc23)c(C)c1 2322572646 YKTPFNZXNRHGPL-UHFFFAOYSA-N 442.540 5.827 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2cc(C)ccc2C)cc1 2322612853 VYCKDCMPBDSQBL-UHFFFAOYSA-N 430.544 6.576 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OC(=O)C=Cc4ccc(F)cc4)cc(C)c3C2=O)cc1 2323046675 HMBZAYRQRZSRRU-UHFFFAOYSA-N 444.458 5.768 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3ccccc3C)c2)cc1 2323078607 VRRNVRBFXMNUNV-UHFFFAOYSA-N 427.544 6.251 30 10 IKEE C=CCOc1c(OC)ccc(C=CC(=O)c2cc(Cl)ccc2Cl)c1Br 2323327549 WCXKWMYZPMNOOB-UHFFFAOYSA-N 442.136 6.225 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)c1 2323485497 PQZQVDSULFIDNG-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OCc1c(F)cccc1Cl 2323807796 AWMBWTFQIGDTKN-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE C=C(C)COc1c(Br)cc(C=CC(=O)c2ccccc2)cc1Br 2323808805 BILUKUHADUMWQA-UHFFFAOYSA-N 436.143 6.063 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc3ccccc23)c([N+](=O)[O-])c1)c1ccc(F)cc1 2324186296 WBPWHEAKMDCJBV-UHFFFAOYSA-N 427.431 6.362 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cc(Cl)c(OCCCO)c(OC)c2)cc1C(C)C 2324261636 VSXKZGMQNWTASA-UHFFFAOYSA-N 432.944 5.446 30 10 IKEE CCOc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)cc1OC 2324412295 KENHSPBOCZUADF-IBGZPJMESA-N 448.544 5.424 30 10 IKEE Cc1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)c1C 2324499221 RBXHMUKTYIPFID-SFHVURJKSA-N 445.490 5.773 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCCC(=O)Nc3ccc(C)cc3)ccc2C1=O 2325224551 HGZONIXVUGGAFE-UHFFFAOYSA-N 443.499 5.418 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1OC(=O)c1cccs1 2325736794 AFKYHMIAUVPUSU-UHFFFAOYSA-N 433.312 6.179 30 10 IKEE Cc1ccc(C(=O)Oc2cccc(C=CC(=O)c3cc(Cl)ccc3Cl)c2)cc1C 2325774435 XKTYZKJWXJTWSL-UHFFFAOYSA-N 425.311 6.726 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1cccnc1 2325885358 DDQADFJOIMKHHT-UHFFFAOYSA-N 443.576 5.388 30 10 IKEE CCSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1ccc(CC)cc1 2325908449 DBKJZQXHLNTWGI-UHFFFAOYSA-N 435.380 5.721 30 10 IKEE N#Cc1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2c[nH]c3ccccc23)cc1 2326689001 KWWDMSJVXIFQGJ-UHFFFAOYSA-N 448.555 5.396 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1c(C)n(C)c2ccccc12 2326701748 QTPXQIQINZEDBV-UHFFFAOYSA-N 444.391 5.868 30 10 IKEE CCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1c(Cl)cccc1Cl 2328051445 IILOODVMTQNDTK-UHFFFAOYSA-N 439.799 6.018 30 10 IKEE CCCCC1CCC(c2nnc(SCCO)n2N=Cc2ccc(OCC)cc2)CC1 2328210674 VLBSQKPZCNTFQO-UHFFFAOYSA-N 430.618 5.107 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccc(C)cc3)n2N=Cc2cccn2C)cc1 2328562329 GDYQOJDKVDJTDG-UHFFFAOYSA-N 445.592 5.089 30 10 IKEE CCCSc1nnc(CCOc2ccccc2)n1N=Cc1ccc(Cl)c(Cl)c1 2329208751 GHGYMGJPPLEMJD-UHFFFAOYSA-N 435.380 5.591 30 10 IKEE CCCCOc1ccc(C=Nn2c(Cc3ccccc3F)nnc2SCC)cc1OC 2329730847 NRBLZVBQMIZVOW-UHFFFAOYSA-N 442.560 5.190 30 10 IKEE Cc1ccsc1C=Nn1c(CC2CCCCC2)nnc1SCc1cccc(F)c1 2330251451 NBLIMJVQGOJDRD-UHFFFAOYSA-N 428.602 6.084 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccccc2)n1N=Cc1cn(C)c2ccccc12 2330634879 TYSFAPQTWBOLBK-UHFFFAOYSA-N 437.572 5.920 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@@H]2CCCO2)c(Cl)c1)c1ccc(Cl)cc1Cl 2330807618 OARDWXIRERQAQD-IBGZPJMESA-N 425.695 5.627 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(OCC)cc3)cc2)cc1 2331188491 KAKKJKNSTOOIAV-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3ccccc3)c(Cl)c2)c(C)c1 2331222403 RLDYWPJPSWXMBI-UHFFFAOYSA-N 448.946 6.618 30 10 IKEE Cc1ccccc1NC(=O)CSc1nnc(C(C)(C)C)n1N=Cc1ccc(Cl)cc1 2331382184 HEVHYPGNYPLHQH-UHFFFAOYSA-N 441.988 5.150 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCCO4)cc2Cl)c1 2331398830 PTQKMWQFZZQXHH-UHFFFAOYSA-N 448.902 5.843 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3F)c(Cl)c2)cc1F 2331455950 YIXUJPKPDXMWBH-UHFFFAOYSA-N 446.808 5.881 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)[C@H](C)c1ccccc1 2331521227 LQWOIEKCMGVFSU-QGZVFWFLSA-N 434.463 5.448 30 10 IKEE Oc1ccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C2CCC2)cc1O 2331533263 BQOUNHQAOQIIDJ-UHFFFAOYSA-N 449.363 5.438 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2sccc2C)cc1C 2331673916 FESOWHUVUKGASY-UHFFFAOYSA-N 427.599 5.001 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2[N+](=O)[O-])c1 2331707261 GVIMEBOMTWBIIR-UHFFFAOYSA-N 429.472 5.944 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2N=Cc2cccc3ccccc23)cc1 2331733905 BIIMOJNZMUKVTL-UHFFFAOYSA-N 441.560 5.230 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)cc(OC)c1OC(=O)CCOC 2331863949 REVBBINGJRSQLE-UHFFFAOYSA-N 449.330 5.569 30 10 IKEE Cc1cc(Oc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)c(C)cc1NC(=O)OC(C)(C)C 2338945611 WYUICMJFFGGCFI-UHFFFAOYSA-N 440.349 5.137 30 10 IKEE C=CCOc1c(Cl)cc(/C=C2/N=C(c3ccc(Br)cc3)OC2=O)cc1OC 2849905 CNTMCKKRZSCLTI-MHWRWJLKSA-N 448.700 5.020 30 10 IKEE CCc1ccc2oc(-c3cc(/N=C\c4cc(Br)ccc4O)ccc3O)nc2c1 3032391 AAORPRJURDFUNA-MSXFZWOLSA-N 437.293 5.982 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccn2)cc1OC 20885123 DCWDATADGWFGTP-XRHLQHRESA-N 441.531 5.468 30 10 IKEE CCCNC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)cc1 21722888 AIWDFLWXFYSPMZ-DEOSSOPVSA-N 433.552 5.431 30 10 IKEE COc1ccc(/N=C(/N=C(\O)Cc2ccccc2)NCCc2c[nH]c3ccccc23)cc1 32943190 KPWOMPTWBBKURD-UHFFFAOYSA-N 426.520 5.196 30 10 IKEE CCn1nc(C)c(CN/C(=N/C(=O)c2ccc(Cl)cc2)Nc2ccc(C)cc2C)c1C 32971554 HJWDVOFZQCHLRJ-UHFFFAOYSA-N 437.975 5.188 30 10 IKEE C=CCc1ccccc1OCCOc1ccc(/C=C2/SC(=S)N(CC=C)C2=O)cc1 33441549 AQKNXGWCMBJCMB-OQKWZONESA-N 437.586 5.260 30 10 IKEE N#Cc1c(/C=C\c2ccc3c(c2)OCO3)cc(-c2ccc(Cl)cc2)n2c1nc1ccccc12 33778160 QXBPFXXRLCVZJL-ALCCZGGFSA-N 449.897 6.579 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O)c1ccccc1F 38320869 UWOQPTKKKBPKMB-UKWGHVSLSA-N 429.230 5.968 30 10 IKEE CCOc1ccc(Nc2oc(-c3ccc(OCc4ccc(Cl)cc4)cc3)nc2C#N)cc1 39841564 IRCFYCCYQBUELA-UHFFFAOYSA-N 445.906 6.588 30 10 IKEE Cc1ccc(-n2c(C)cc3c2CC(C)(C)C/C3=N\OC(=O)c2cccc3ccccc23)cc1 39853108 WQKXNDBCMZGBJA-URGPHPNLSA-N 436.555 6.781 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(Cl)cc1 40077061 NCSDCAFSUBXFAA-SFHVURJKSA-N 448.744 5.481 30 10 IKEE COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccccc1OC(F)F)C2=O 41285915 GVMHLHHOLBYYPB-MTJSOVHGSA-N 438.382 5.132 30 10 IKEE Cc1c(OC(=O)c2cccc(F)c2)ccc2c1O/C(=C\c1cn(C)c3ccccc13)C2=O 41430567 FPZWFOSAHJUVKD-QRVIBDJDSA-N 427.431 5.461 30 10 IKEE C=CCn1c(SCCC(=O)Nc2cccc3ccccc23)nnc1-c1cccc(Cl)c1 59794811 AMXWNQJPFNVCKY-UHFFFAOYSA-N 448.979 6.059 30 10 IKEE CCCCCCCC/C=C/CCCCCCCC(=O)Oc1ccc2ccc(=O)oc2c1 97947770 ZZACSAGAYXZPJU-MDZDMXLPSA-N 426.597 7.736 30 10 IKEE CCCCCCCOc1ccc(NCC(=O)Nc2ccc(OCCOCC)cc2)cc1 100077517 WATMJUIBRPTXBL-UHFFFAOYSA-N 428.573 5.502 30 10 IKEE CCCCCCCOc1ccc([C@@]2(C)Nc3ccccc3C(=O)N2Cc2ccccc2)cc1 100139941 WNVAORMANLAAAR-LJAQVGFWSA-N 442.603 6.977 30 10 IKEE CCCCCCCCCCCCn1c([C@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21 102183125 CMAVHNJKRIQCNF-AREMUKBSSA-N 446.723 9.308 30 10 IKEE CCCCCCCn1c([C@@H](C)NC(=O)c2cccc(Br)c2)nc2ccccc21 102224324 ISOSFYGRQHHDEL-QGZVFWFLSA-N 442.401 6.260 30 10 IKEE N#C[C@H](C(=O)c1cc(Br)ccc1Br)c1c(F)cccc1Cl 160717686 VPRZOWITUARKCO-JTQLQIEISA-N 431.486 5.494 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2cc(C)ccc2C)c1 169933249 VHBGOQZXXSAZMQ-XMMPIXPASA-N 445.490 5.542 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccc(O)cc2)c1 169960437 AVYMGCODVQXZII-XMMPIXPASA-N 443.499 5.191 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2cccs2)cc1C 169984004 BKKGWYPGICYETF-FQEVSTJZSA-N 441.455 5.126 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(Cl)cc2)c1 170059806 KILWLOFKVFIZLJ-NRFANRHFSA-N 425.912 5.260 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(N(C)C)cc1 170129007 IDGKFCYTYXWJPN-XMMPIXPASA-N 428.532 5.284 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccn2)cc1C 170174449 NNOZLIOOMDXVDX-XMMPIXPASA-N 442.515 5.270 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccncc2)cc1C 170200151 NMMDDEQSQIGUFX-QHCPKHFHSA-N 446.478 5.101 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccncc2)cc1C 170203138 XOBFDOCBUYJMHJ-XMMPIXPASA-N 442.515 5.188 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccc(F)cc2)cc1C 170238998 YFCGWIWPUISHCX-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@@H]1c1c[nH]c2ccccc12 170255983 OUNGLONPRNEHIM-QHCPKHFHSA-N 446.547 5.562 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccco1)c1ccc(Cl)c(Cl)c1 170286645 LTLLSMJWKSYZRU-SFHVURJKSA-N 448.689 6.023 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1c(C)[nH]c2ccccc12 170312028 XERZLZCAULNONB-MYYSRTQBSA-N 444.531 5.178 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccc(OCC(C)C)c2)c1 170365682 AJFRHFMOQKNDPO-QHCPKHFHSA-N 447.556 5.874 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 170380431 VNJQZCLVQIRUKN-NRFANRHFSA-N 438.310 6.085 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cc(C)ccc2C)cc1 170453335 RFCKKVHGNXBNDF-QHCPKHFHSA-N 434.580 5.665 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(OC(C)=O)c(OC)c1)N2 226698741 DOIJMOAFZJZRSY-AWVRMFGXSA-N 449.591 6.796 30 10 IKEE Cc1ccc(/C=C2/SC(=Nc3ccc(C)c(C)c3)N(c3ccc(C)c(C)c3)C2=O)cc1C 252603422 FQVLSWDMJUPTCT-QUUTUTFFSA-N 440.612 7.346 30 10 IKEE CC(=Nn1c(-c2ccc([N+](=O)[O-])cc2)csc1=NC(C)C)c1ccc(C(C)(C)C)cc1 254308033 IEOJWEHROMLENP-UHFFFAOYSA-N 436.581 6.004 30 10 IKEE N#CC[C@@H](Nc1cc(I)ccc1Br)c1ccccc1 388600296 CYAPUTDPVVPYBI-CQSZACIVSA-N 427.083 5.121 30 10 IKEE C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CNCC[C@H](c4ccc(C)cc4)c4ccco4)[C@H]3C[C@@H]12 504318804 NWVOLYRDQMXQQP-LEEAOGBDSA-N 447.619 6.014 30 10 IKEE biogenic CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@@H]1c1cccc(F)c1 526492673 YVXMEROINMIYNA-HSZRJFAPSA-N 444.462 5.162 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2sccc2C)cc1OC 526604278 GMAHYOXUPHYFRM-QFIPXVFZSA-N 446.528 5.393 30 10 IKEE CCc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(Sc3ccccc3)C2=O)cc1 526657449 NQJRCYOFYPWMPU-UHFFFAOYSA-N 425.513 5.110 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1cccc(OCCC)c1 526817271 ZHEBZPZKIDLBNC-XYGWBWBKSA-N 443.016 6.237 30 10 IKEE CCCOc1cc(/C=N\n2c(CCC)nnc2SCc2ccc(C#N)cc2)ccc1OC 526822843 OKYKGAXNNYNUBR-QQXSKIMKSA-N 449.580 5.074 30 10 IKEE FC(F)(F)c1cccc(/C=N\n2cnnc2SCc2ccc(Cl)cc2Cl)c1 526823723 PHSOMYZBNFVQNJ-GYRAYZOKSA-N 431.270 5.778 30 10 IKEE Cc1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 586243798 WPKOOOPFMXRNFB-UHFFFAOYSA-N 431.344 5.569 30 10 IKEE COc1cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)ccc1O 698461166 XQLINVRAWXTZDB-INIZCTEOSA-N 433.302 5.170 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCO[C@H](C(F)(F)F)C1 698497635 NHIQSERFDLQCTF-WMLDXEAASA-N 449.267 5.194 30 10 IKEE COCc1cc(C)nc(NN=Cc2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)c1C#N 1084003530 BKULBSWPTLFSIR-UHFFFAOYSA-N 449.558 5.929 30 10 IKEE O=[N+]([O-])c1ccc(C=Nc2ccc(Oc3ccc(N=Cc4ccc([N+](=O)[O-])o4)cc3)cc2)o1 1084332986 KLILIUONKDTNKI-UHFFFAOYSA-N 446.375 5.983 30 10 IKEE N[C@H]1CCCC[C@@H]1N/C(=N/Cc1cccc2ccccc12)Nc1ccc(Cl)cc1Cl 1088665282 UOZGICTUSNTABT-GMAHTHKFSA-N 441.406 5.974 30 10 IKEE CC(/C=C1\SC(=Nc2ccncc2Cl)N(C2CCCCC2)C1=O)=C\c1ccccc1 1772737305 OMFATYUEJIXTST-VWZIXLGRSA-N 437.996 6.618 30 10 IKEE Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N\NC(=S)Nc2ccc(Cl)cc2)cc1 1857811469 RBKRVSKUTLOMFR-YSMPRRRNSA-N 445.979 5.822 30 10 IKEE CC[C@H](C)N(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(F)ccc1F 1859920336 FYSHNHNDTFEEQF-JTQLQIEISA-N 425.319 6.448 30 10 IKEE N#Cc1cccc(C(=O)N2CCC(c3ccc(OC(=O)c4cccc(Cl)c4)cc3)CC2)c1 1860705977 QZZITBWJAHWKFP-UHFFFAOYSA-N 444.918 5.451 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)COc1ccc(Cl)c(C)c1 1861642467 GEPIJFTYBUOPBT-XMMPIXPASA-N 439.040 5.569 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C2CC2)cc1 1862386537 PCYLIGDWNOSHAW-HXUWFJFHSA-N 446.330 5.523 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CC2)cc1 1862438590 CMNYNFCILDYJQB-NRFANRHFSA-N 425.912 5.260 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(C(=O)O)cc1 1862446901 DGSKOBOAQIUVEX-HXUWFJFHSA-N 441.911 5.197 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862480684 LZVGCNIAOOCBLO-CNDZOEFASA-N 434.492 5.060 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc(Br)cc2)cc1 1862487847 KUEYBKQNGFPMDA-HXUWFJFHSA-N 442.353 5.382 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1Br 1862487872 LGWAXPDGZQXCDL-FQEVSTJZSA-N 442.353 5.526 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)c1 1862507143 FCWQIXAIJPRPHF-UUOWRZLLSA-N 429.491 5.782 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862534487 SDHNPFQCLGGVHY-AREMUKBSSA-N 439.555 6.151 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2cccc(Cl)c2)cc1 1862535641 IEZFYJVTZRFIAY-QHCPKHFHSA-N 437.967 6.204 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(N(CC)CC)cc1 1862538356 LLVQMQDRZWZUMH-RUZDIDTESA-N 448.607 5.864 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(N(C)C)cc1 1862582603 IQPPMOHZEYJDKQ-LJQANCHMSA-N 433.335 5.046 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc2cc[nH]c2c1 1862616100 QPDKWSGQOQJLAG-QMHKHESXSA-N 430.548 5.842 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(CC)cc1 1862663210 PBNFGBKYLCHURT-DEOSSOPVSA-N 435.564 5.377 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CCCC2)cc1 1862665225 BRQJWVZFSSBLDN-XMMPIXPASA-N 433.548 5.730 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CC(C)C)cc1 1862684383 VIRCSMKYEKADNB-QHCPKHFHSA-N 439.527 5.629 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@H]2c2ccccc2)cc1 1862687319 JKGJGAAFWLSNKN-QFIPXVFZSA-N 433.891 5.127 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccccc2C)c1 1862698756 NHFPJTIZMUREJO-HOYKHHGWSA-N 427.500 5.343 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCCOC(C)C)cc1 1862712973 FAFYQIMZGFTVPP-VWLOTQADSA-N 443.543 5.542 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccc(Cl)c1 1862725809 SFZYWKXTFOXTST-MZNJEOGPSA-N 445.946 6.384 30 10 IKEE Cc1cc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3cccs3)C2=O)ccc1C(C)C 1863113529 YDJDIHDEWPDKCI-UHFFFAOYSA-N 427.529 5.448 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(Cl)cc2)C(=O)N(CCCOC)C1=O 1863531041 FGZSATLOZAJCPI-UHFFFAOYSA-N 435.008 5.187 30 10 IKEE Cc1ccc2[nH]c(C(=O)Nc3c(Br)cc(C#N)cc3Br)c(C)c2c1 1866041597 YFNVCOCYBATWGD-UHFFFAOYSA-N 447.130 5.434 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N1[C@H](C(=O)OC)C[C@@H]2CCC[C@@H]21 1866342543 OSAWQOKRPHZYTO-SDHOMARFSA-N 435.693 7.191 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)c2cc(Cl)ccc2Cl)n(-c2ccccc2)n1 1870000870 ZGXFZROTIZITLI-UHFFFAOYSA-N 428.323 5.005 30 10 IKEE C=CCn1cc(OCc2cccc(OC)c2)c(=O)cc1CSc1ccc(Cl)cc1 1870164964 AQZXOCCSDQOMKJ-UHFFFAOYSA-N 427.953 5.568 30 10 IKEE CCCCCCCCn1cc(OCCCCOc2ccc(C)cc2)c(=O)cc1CN(C)C 1870320242 OYOOVTJAYZARNR-UHFFFAOYSA-N 442.644 5.817 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(C)cc2)c(CN2C[C@@H](C)C[C@@H](C)C2)cc1=O 1870416941 WMBPFWBHYKOOJD-PSWAGMNNSA-N 438.656 6.032 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)c(Cl)c2)c(=O)cc1CNc1ccc(C)c(F)c1 1870826543 YFVIMCWQJPFRPZ-UHFFFAOYSA-N 447.337 5.980 30 10 IKEE C#CCOc1cn(CCC2=CCCCC2)c(CNc2cccc(Br)c2)cc1=O 1871008570 BYHNBTZOANSTMP-UHFFFAOYSA-N 441.369 5.125 30 10 IKEE CCCCCCCCn1cc(OCCCCC)c(=O)cc1CNc1ccc2nc[nH]c2c1 1871130215 ILCUQONEVSEUSS-UHFFFAOYSA-N 438.616 6.266 30 10 IKEE CCCCCCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(N(C)C)cc1)C3=O 1871349018 NLGLAINNGAKNIL-UQQQWYQISA-N 434.580 5.881 30 10 IKEE COC(=O)c1ccc(/C=C2\Oc3c(ccc4c3CN(CCC3=CCCCC3)CO4)C2=O)cc1 1871349506 PWNJQDOZULUXQL-IWIPYMOSSA-N 445.515 5.132 30 10 IKEE CCc1ccc([C@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2ccccc2Cl)C4=O)cc1 1871354675 XKIGMIUFFJJYMZ-MQKZQLNTSA-N 445.946 6.432 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)ccc2C1=O 1871374146 UDCFXQWUXODSLI-ZDLGFXPLSA-N 441.848 5.454 30 10 IKEE Cc1cc(OC(=O)c2ccc(OCC(C)C)cc2)cc2c1C(=O)/C(=C/c1cccc(F)c1)O2 1871384031 UXGAYIIBWLSXEE-CFRMEGHHSA-N 446.474 6.004 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OCCOc3ccc(C(C)(C)C)cc3)ccc2C1=O 1871414247 CUAHLVRQFCXQPJ-ONUIUJJFSA-N 444.527 6.067 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871450567 JBCMBAQWURFRTI-DNPFKWNUSA-N 445.515 6.044 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1cccc(C)c1)C2=O 1871459284 PKEJQVIXMHARTI-IWIPYMOSSA-N 427.500 5.500 30 10 IKEE C=CCN([C@@H](C(=O)Nc1cccc(C(C)(C)C)c1)C(C)C)S(=O)(=O)c1ccc(C)cc1 1872212096 VNHWGQAKQUQGJW-HSZRJFAPSA-N 442.625 5.133 30 10 IKEE N#C[C@H](C(=O)/C=C/c1ccc(Cl)cc1Cl)c1nc(-c2ccc(Cl)cc2)cs1 1872766784 OPHIABNARGHZCE-KZJSRBBCSA-N 433.747 6.660 30 10 IKEE CC(C)(C)c1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 1872773987 DNGKPCXHWHAJKY-CLOLKSBNSA-N 444.556 5.768 30 10 IKEE CCc1cccc(C)c1N1C[C@@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(F)cc3)cs2)CC1=O 1872775939 DVGAUMILFVRVTI-AZUAARDMSA-N 447.535 5.049 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)nc3)n2)cc1C(C)C 1872779870 TTXNFZVHSIVLCV-QGZVFWFLSA-N 425.941 5.789 30 10 IKEE Cc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1 1872780432 IDIZKYANCAIIQR-QFIPXVFZSA-N 432.589 6.388 30 10 IKEE CCCCOCCCNC(=O)c1cccc(CSc2nc(C)c(C)c(C)c2C#N)c1 1872893579 ZYCRZSDUMDFODS-UHFFFAOYSA-N 425.598 5.107 30 10 IKEE CCCCCCCCN1C(=O)C(NCCC2=CCCCC2)=C(c2ccc(F)cc2)C1=O 1873137298 DHOLYUQEEHJMGK-UHFFFAOYSA-N 426.576 5.746 30 10 IKEE C=CCNC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)sc2c1CCCC2 1873442829 REDSYIBVCJFOBD-CSKARUKUSA-N 435.376 5.501 30 10 IKEE CCC(CC)c1nnc(S)n1/N=C/c1ccc(OC)c(OCc2ccccc2Cl)c1 1873502589 QKVQVVABSRYTBU-ZMOGYAJESA-N 444.988 5.594 30 10 IKEE Cc1ccccc1/C=N/n1c(COc2c(C)cccc2C)nnc1SCc1ccccc1 1874300921 ZDQJPWHGPDUXKL-JVWAILMASA-N 442.588 5.957 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CCc3ccc(C)c(C)c3)nnc2SCC)cc1 1874329957 FUOUDWVVEAUAEQ-NLRVBDNBSA-N 436.625 5.853 30 10 IKEE C=CCSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1ccccc1OCCC 1874331422 MSCCCOVLFFIADU-NLRVBDNBSA-N 434.609 5.629 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2[N+](=O)[O-])cc1 1874388937 BYXMSBTTZVNMDR-PCLIKHOPSA-N 443.532 5.260 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SC)cc1OCC 1874405585 FRCRJZWSZSLJHZ-XIEYBQDHSA-N 444.645 5.973 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2ccccc2C)nnc1[C@@H]1CCCO1 1874443081 RZKGZLZCHFTEEO-LWROZRRASA-N 434.565 5.177 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2ccc(C)cc2)nnc1C1CCCC1 1874451907 UNWYBVLXKNIERD-YZSQISJMSA-N 432.593 5.983 30 10 IKEE COc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2cc(C)ccc2C)cc1OC 1874490344 LSNRAXYPJAQJAC-AFUMVMLFSA-N 438.597 5.285 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccccc1Cl 1874526184 SLHVFUKRONPTTO-LSHDLFTRSA-N 425.772 5.975 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/n2c(C)nnc2S)cc1Br 1874557331 AYETVADDKAYEON-KGENOOAVSA-N 439.423 5.649 30 10 IKEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(Cl)cc1)Nc1nccs1 1874578368 KMVMZXVGZIOJLS-XVNBXDOJSA-N 433.316 5.364 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cccc(OCC(=O)Nc2cccc(C)c2)c1 1874600464 NXNQHJGLZATEEV-ZHACJKMWSA-N 449.934 5.879 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)cc1 1874604767 DUBXVPHZOXVRSS-MKMNVTDBSA-N 433.479 5.310 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OCC(=O)OCC(C)C)c(OC)c2)cc1C 1874607628 XAEIBZUTHXAUJG-SOFGYWHQSA-N 446.927 5.140 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OCc1cccc2ccccc12 1874633047 JNKZVWQFCLNIEO-DTQAZKPQSA-N 436.551 7.330 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OC(=O)Cc1cc(C)ccc1C 1874699049 BEVGIQFLQSWFRO-PKNBQFBNSA-N 434.919 6.010 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cccc(OCC)c3)c2)cc1 1874701469 ULEXVFYPSLTKJC-OQLLNIDSSA-N 446.499 5.608 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)c2ccco2)c(Br)c1 1875118952 XACVCDXPKCVVFX-CSKARUKUSA-N 427.250 5.166 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc(C)cc(C)c3)c(Br)c2)cc1 1875135858 KWYPBFSZTIJPTN-UXBLZVDNSA-N 449.344 6.490 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2)cc1OC 1875156302 STYUBPPORLXBTJ-VIZOYTHASA-N 444.527 5.871 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccccc2C)c(Cl)c1 1875192975 MSZFTSNBAAEGDC-JXMROGBWSA-N 441.310 6.426 30 10 IKEE CC#CCCCC[C@@H](NCC)c1cc(Br)ccc1I 1885230504 XFFYYKJDGSSTKE-MRXNPFEDSA-N 434.159 5.288 30 10 IKEE N#Cc1ccc(OC2CCN(C(=O)c3ncoc3-c3cc(Cl)ccc3Cl)CC2)cc1 1890904866 ULSDQIOJUHBJHF-UHFFFAOYSA-N 442.302 5.204 30 10 IKEE CCCCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C(=O)O 1927436617 GXOFVGVXAJVJNY-DEOSSOPVSA-N 437.580 6.365 30 10 IKEE CCCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(Br)ccc1Br 1927790808 YGONBDBIYCPDCB-AWEZNQCLSA-N 432.156 5.423 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 1943914678 CEXKEDOSUVTQLW-CYFREDJKSA-N 435.609 5.676 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1944736822 RBBKJBRCEXZCCU-MOPGFXCFSA-N 449.979 5.763 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@@H](C#N)c1nc(Br)cs1 1950107968 QIHZXVOIFDILLP-LBPRGKRZSA-N 428.739 5.565 30 10 IKEE CCCCCCC[C@@H](OC)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952250676 WCVHHHSOOCPDFI-DNQXCXABSA-N 439.552 5.354 30 10 IKEE C=C(C)CC[C@@H](NCCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997457442 XENHUPPADXFNNN-BVAGGSTKSA-N 430.633 5.555 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@](C#N)(N(C(=O)OC(C)(C)C)C3CCCC3)C[C@@]2(C)C1 2005134820 KXKFCCPLJCMMFV-YRUKQIKQSA-N 433.593 5.095 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC=CCC1 2019449028 XPMNBCLXHRWQKV-HJOGWXRNSA-N 428.617 5.377 30 10 IKEE Fc1c(Cn2nc(Br)c(Cl)c2C(F)(F)F)cccc1C(F)(F)F 2079144008 RUCJREVLZWAKMY-UHFFFAOYSA-N 425.529 5.524 30 10 IKEE CC(C)Oc1ccc([C@H](n2nc(C3(C)CC3)c(C#N)c2Br)C2(C)CC2)cc1 2080124835 BGDCKIOQQCIACS-IBGZPJMESA-N 428.374 5.745 30 10 IKEE N#Cc1c(F)cc(Br)cc1Nc1ccc(Br)cc1Br 2107446447 CJJYOMJFUBAAHM-UHFFFAOYSA-N 448.915 5.728 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCCC)c2cc(Cl)cc(Cl)c2Cl)C1 2235608541 UPNJQGSWSNDEKA-KRWDZBQOSA-N 433.807 6.301 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC 2235722761 KLTNOXCLMGRXRW-XKGZKEIXSA-N 437.422 5.108 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)C(C)(C)CCCNC(=O)OC(C)(C)C 2235723321 BMYBPYIJNGVZNZ-IBGZPJMESA-N 437.422 5.110 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)C1(NC(=O)OC(C)(C)C)CCCCC1 2235731093 WKLHUZQFPLXAML-IBGZPJMESA-N 435.406 5.006 30 10 IKEE CCCCCCCC[C@@H](O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237381992 HXVPFHSQXMTGSE-WOJBJXKFSA-N 442.438 5.996 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1cc(F)c(NC(=O)OC(C)(C)C)cc1F 2248188137 FVZVXPKYGVTXRA-JOCHJYFZSA-N 432.511 5.735 30 10 IKEE C=CCCC1([C@@H](NCCC)c2cscc2Br)CN(C(=O)OC(C)(C)C)C1 2266313423 SXGDBNHZQGSDPO-KRWDZBQOSA-N 443.451 5.755 30 10 IKEE C=CCCC1([C@@H](NC)c2cc(C)c(Br)cc2C)CN(C(=O)OC(C)(C)C)C1 2281049110 XBLWNMRYLUIFSV-IBGZPJMESA-N 437.422 5.530 30 10 IKEE CC(C)n1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)c1ccccc1 2282558417 ILRMKEIECPPOTE-UHFFFAOYSA-N 444.384 5.215 30 10 IKEE COc1ccc(CNc2ccc(C#N)cc2Br)cc1NC(=O)OC(C)(C)C 2284070593 ICSZNTYWTZUCEC-UHFFFAOYSA-N 432.318 5.288 30 10 IKEE C=C(COCc1ccccc1)[C@](C)(OCCC(=O)O)c1ccc(Br)cc1F 2292205498 YJECHAWTDVQKKG-NRFANRHFSA-N 437.305 5.068 30 10 IKEE CCCCN(C[C@H](C#Cc1cccc(Br)c1)NCCC)C(=O)OC(C)(C)C 2296219211 LZLQYVPCRLPLSA-FQEVSTJZSA-N 437.422 5.206 30 10 IKEE CCC1CCC(NC(=O)OC(C)(C)C)([C@@H](O)C#Cc2ccc(Br)cc2)CC1 2296288242 DSZPHWWXPQPYGR-UEUGHCDMSA-N 436.390 5.025 30 10 IKEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc([C@@H](N)C#Cc2ccc(Br)cc2)cc1 2296301542 VRWBFHDRDZYSGO-QRWLVFNGSA-N 429.358 5.086 30 10 IKEE Cc1ccc(N=CC=C(Nc2ccc(C)c(Cl)c2)c2ccc(Cl)cc2)cc1Cl 2297534787 UOQZPAZZODYLAG-UHFFFAOYSA-N 429.778 8.119 30 10 IKEE O=C1C(=Cc2ccc([N+](=O)[O-])cc2)SC(=NCc2ccccc2)N1Cc1ccccc1 2313518557 IZVJAXDYUKJUCR-UHFFFAOYSA-N 429.501 5.268 30 10 IKEE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2Oc3cc(C)c(C)cc3C2=O)cc1 2314519161 BKRTUGUTFGMHGW-UHFFFAOYSA-N 436.511 6.171 30 10 IKEE COC(=O)c1ccc(COc2cc(C)c3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2321856526 XTEKTKCRYVIVSG-UHFFFAOYSA-N 434.875 5.630 30 10 IKEE CCCCCCN1COc2ccc3c(c2C1)OC(=Cc1ccc(Cl)c(Cl)c1)C3=O 2322083063 GZCOHTAPSUTBMN-UHFFFAOYSA-N 432.347 6.342 30 10 IKEE Cc1ccsc1C=Nn1c(S)nnc1CCCOc1ccc(Cl)cc1Cl 2322286543 GUZLQCUOZDPLCU-UHFFFAOYSA-N 427.382 5.137 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(Cl)cc1Cl)C3=O)CN(C1CCCC1)CO2 2322328374 RHFVAJYXNPWREM-UHFFFAOYSA-N 430.331 6.013 30 10 IKEE COc1c(Br)cc(Br)cc1C=CC(=O)c1cccc(Cl)c1 2322524938 IAGROGSHOFOBCI-UHFFFAOYSA-N 430.523 5.770 30 10 IKEE Cc1ccc(C(=O)C=Cc2c(OCc3cccc4ccccc34)ccc3ccccc23)cc1 2322586402 YNSYLVWDETUZNC-UHFFFAOYSA-N 428.531 7.777 30 10 IKEE Cc1c(OC(=O)c2ccccc2Br)ccc2c1OC(=Cc1ccco1)C2=O 2322708661 HPGOAJKHDYMQDE-UHFFFAOYSA-N 425.234 5.186 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2cccc(C)c2)cc1F 2322712012 VNULCLMPABABHT-UHFFFAOYSA-N 449.478 5.065 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(OC)c3ccccc23)c1OCc1cccc(F)c1 2323020032 QVIQVLFRNGHHOB-UHFFFAOYSA-N 442.486 6.471 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)cc(C)c2C1=O 2323328008 PZWIPAYNIHELHW-UHFFFAOYSA-N 430.887 6.192 30 10 IKEE Cc1c(OC(=O)c2cccc(OCC(C)C)c2)ccc2c1OC(=Cc1ccccc1)C2=O 2323580285 STKAJKCJYHVQHZ-UHFFFAOYSA-N 428.484 5.865 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2Cl)cc1)c1cccc(Br)c1 2323651871 OBJHXMFFKCAGRZ-UHFFFAOYSA-N 427.725 6.578 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OCC(=O)Nc1cccc(C)c1 2323873185 WNWLGKIHDWZBHQ-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OCc1ccccc1Cl 2323909128 SBHMIJSKBYRYTI-UHFFFAOYSA-N 441.354 7.176 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCc3cccc(C)c3)c(OCC)c2)cc1 2323934237 BEQIQBHSHWBVQV-UHFFFAOYSA-N 430.544 6.658 30 10 IKEE Cc1ccsc1C=C1Oc2c(CN(Cc3ccccc3)C(C)C)c(O)cc(C)c2C1=O 2324016815 GJLBWJWMKKAWRL-UHFFFAOYSA-N 433.573 6.097 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OCc3ccccc3Cl)c(Cl)c2)c(C)c1 2324545973 JXCNBULZFIJRBY-UHFFFAOYSA-N 425.355 7.394 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCCCCOc4ccccc4)cc(C)c3C2=O)cc1 2324585018 MJYVLJTWGKOUPH-UHFFFAOYSA-N 428.528 6.412 30 10 IKEE COc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1OC 2324611704 OPMSLYKKZCPMQS-HXUWFJFHSA-N 446.572 6.014 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)cc(Cl)c1OCCCO 2324666129 DWWQKQFBVWCCNG-UHFFFAOYSA-N 426.896 5.168 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4c(F)cccc4F)cc(C)c3C2=O)cc1 2325511327 YJRGNAFQKZVWLD-UHFFFAOYSA-N 435.426 5.215 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1cccc(C=CC(=O)c2ccc3ccccc3c2)c1 2325700584 RZZQKGWEZFYOHQ-UHFFFAOYSA-N 440.926 6.928 30 10 IKEE CCOc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2cccc(C)c2)C3=O)cc1 2325705469 LUNPQKYJDTZIMR-UHFFFAOYSA-N 443.499 5.336 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3cccc(C=CC(=O)c4ccccc4Cl)c3)c(C)c2c1 2325718073 WQBLMQWSCPMQMT-UHFFFAOYSA-N 429.903 6.553 30 10 IKEE CCOc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc(C)cc3C)c2)cc1 2325736451 BFMDMWIMERFGNB-UHFFFAOYSA-N 430.500 5.583 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4)ccc3C2=O)cc1 2325739823 FDTZCNRQVXZRMC-UHFFFAOYSA-N 427.500 5.618 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccc(C)cc1 2326006682 NEIXTJOPXWLTSN-UHFFFAOYSA-N 441.000 5.802 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1N=Cc1ccc(OCC)cc1OCC 2326224848 KQPNPQUXWIWXOV-UHFFFAOYSA-N 438.597 5.593 30 10 IKEE Cc1cc(C)cc(CSc2nnc(C)n2N=Cc2ccccc2COc2ccccc2)c1 2326398829 ZCPNVRKZXBIACF-UHFFFAOYSA-N 442.588 5.957 30 10 IKEE CCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1c(OC)ccc2ccccc12 2326442407 LBUFGDZDMZGNGJ-UHFFFAOYSA-N 430.577 5.794 30 10 IKEE CCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1ccc(C(C)(C)C)cc1 2326991997 CMVUMJGVYDUNJF-UHFFFAOYSA-N 436.625 5.890 30 10 IKEE CC(C)(C)OC(=O)N[C@]1(C)C[C@H]2CC[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 2327836521 KMUVJGPGRAHHOG-JSVJYBRWSA-N 447.620 5.532 30 10 IKEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc(OCC)cc1 2328074863 SMXSGHGGKVMOMA-UHFFFAOYSA-N 426.973 5.276 30 10 IKEE Fc1ccccc1C=Nn1c(SCCc2ccccc2)nnc1-c1ccccc1Cl 2329587512 UKZXEWAUBLRQNL-UHFFFAOYSA-N 436.943 5.955 30 10 IKEE Cc1cccc(C=Nn2c(SCc3ccccc3Cl)nnc2[C@H](C)c2ccccc2)c1 2330110616 WBPYQWSGRQUMSA-LJQANCHMSA-N 447.007 6.566 30 10 IKEE Cc1ccccc1C=Nn1c(CC2CCCCC2)nnc1SCc1ccc(Cl)cc1 2330282037 BMZPNGCWQBCUGP-UHFFFAOYSA-N 439.028 6.537 30 10 IKEE Cc1cccc(CSc2nnc(-c3cccs3)n2N=Cc2ccc(C(=O)O)cc2)c1 2330549378 VDVLYRDFAYAUPI-UHFFFAOYSA-N 434.546 5.188 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OC(=O)c1ccco1 2330805548 MKDAZMQJPMFGCF-UHFFFAOYSA-N 447.270 5.719 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2)ccc1OC(=O)c1cccc(C)c1 2330874309 PZRFHNAWRUMBJA-UHFFFAOYSA-N 430.500 5.826 30 10 IKEE O=C(Cc1ccccc1F)Oc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1 2330881388 LFJFNXXFOICZPW-UHFFFAOYSA-N 439.280 5.632 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1 2330910472 KTQYNRUIYMFECA-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)cc2)cc(OC)c1OC(=O)c1ccc(C)cc1 2330980190 GCBOPQRWQSZSFR-UHFFFAOYSA-N 442.511 5.856 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 2331065956 BEJCVSPWROWNKK-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Br)c1OC(=O)C1CC1 2331231786 CBEARAAHICDALN-UHFFFAOYSA-N 443.337 5.676 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)c1 2331318343 AMYJVAIMKPDLSU-UHFFFAOYSA-N 435.863 5.980 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccc2c(c1)OCO2 2331434422 XTZBQGBBBKIXOY-UHFFFAOYSA-N 430.500 5.433 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CCC2)c1 2331539939 FMVYYCGNOQUGGL-UHFFFAOYSA-N 441.000 6.162 30 10 IKEE Cc1ccc(CSc2nnc(C(C)C)n2N=Cc2cccc(Br)c2)cc1 2331670000 FVDXCYMNANUVSR-UHFFFAOYSA-N 429.387 5.647 30 10 IKEE CCCCC(=O)Oc1c(OC)cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1OC 2331789663 XZLFCPRQCFUJCO-UHFFFAOYSA-N 438.564 6.301 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)C(C)(C)C)c(Cl)c2)c(OC)c1OC 2331885816 UOKRJBNVNNXEMH-UHFFFAOYSA-N 432.900 5.213 30 10 IKEE C=CCOc1ccccc1C=C1C(=O)N(c2ccc(Br)cc2)N=C1CCC 2332114323 QIFSITWZBLBYTK-UHFFFAOYSA-N 425.326 5.600 30 10 IKEE CC(C)=C(CN1CCC2(CC1)CCN(Cc1ccccc1)CC2)B1OC(C)(C)C(C)(C)O1 2340330007 ANWXOLUJRCEYML-UHFFFAOYSA-N 438.465 5.332 30 10 IKEE Cc1ccc(C)c(CN2C(=O)/C(=N\NC(=S)Nc3ccc(C)c(C)c3)c3ccccc32)c1 3041804 SIPJINQTTUWWSP-COOPMVRXSA-N 442.588 5.158 30 10 IKEE C=CCn1c(S[C@@H](C)C(=O)c2ccccc2)nc2scc(-c3ccc(C)cc3)c2c1=O 8950473 ZDCMQGYTTGKSOM-KRWDZBQOSA-N 446.597 5.983 30 10 IKEE O=C(/C=C/c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1ccccc1Br 15978379 HZAKVIILYGATAY-SOFGYWHQSA-N 442.294 5.195 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(OC)c(Cl)c2)cc1 21219359 HLIYUXAPWSGPLX-HKUYNNGSSA-N 439.939 5.142 30 10 IKEE O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@@H](c1c(F)cccc1Cl)Nc1ccccc1N2 21258424 HDCLNFPEROVSAP-SGANQWHYSA-N 436.889 6.598 30 10 IKEE Cc1cccc(-c2cc(/C=C\c3ccc(C(=O)O)cc3)c(C#N)c3nc4ccccc4n23)c1 33502117 WLUMMEWLQDRGNJ-KAMYIIQDSA-N 429.479 6.203 30 10 IKEE N#CC1(C#N)[C@H](c2cccs2)[C@@H](C(=O)c2ccc(F)cc2)N2c3ccccc3C=C[C@H]21 33554776 YXTPEHBSPSFMKJ-ZRBLBEILSA-N 425.488 5.171 30 10 IKEE COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2Cl)C3=O)c1 35550317 HWJSQEJFPOBPEC-JAIQZWGSSA-N 441.266 5.837 30 10 IKEE C=CCc1ccccc1OCCCn1c(-c2cccc(Br)c2)nc2ccccc21 40250290 YRGWYGUWYWVBHG-UHFFFAOYSA-N 447.376 6.663 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OC(=O)c4ccccc4F)cc(C)c3C2=O)c2ccccc21 41292544 JTRPIWWBCOFSET-CFRMEGHHSA-N 441.458 5.944 30 10 IKEE COc1cc(/C=N/c2ccccc2Br)ccc1OCc1cccc(C(=O)O)c1 59301826 IGMBEJZTYYEMBO-ZMOGYAJESA-N 440.293 5.486 30 10 IKEE CCCCCCCC(=O)NN1C(=O)c2cc(Br)ccc2N[C@@H]1c1ccccc1 101315761 RRCCHXOXMQMHFZ-NRFANRHFSA-N 444.373 5.407 30 10 IKEE Fc1ccc(N2C(=S)C3(CCCCC3)[C@@H](N3CCCCC3)/C2=N/C2CCCCC2)cc1 105422104 VVWRIFLZGXTUFT-PBQGTZBKSA-N 441.660 6.509 30 10 IKEE C=CCn1c(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)c(C)c2cc(C(C)C)ccc21 169874159 MDQLEDSTJIGFIG-UHFFFAOYSA-N 435.593 5.551 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(OC)cc2)c1 169925285 TXEJICUNJFTKOB-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE Cc1sc(N/N=C\c2ccc(OCc3ccccc3)c(Cl)c2)nc1-c1ccccc1 169942138 KYYHNVDAGGXEOH-YSMPRRRNSA-N 433.964 6.797 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2cccc(C)c2)cc1 169972031 PBSVWQNCSJLYJF-RUZDIDTESA-N 441.527 5.399 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2cccc(O)c2)cc1C 170081194 XZUYZBKQGUTPAY-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2cccc(OC)c2)cc1 170120778 WMKUVDIGJFUVFI-QHCPKHFHSA-N 437.536 5.253 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccs2)cc1 170154358 RYCIFVFXAARQOC-HXUWFJFHSA-N 439.558 5.375 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@@H]1c1cccs1 170156102 CSRQWUZYSDEPNQ-JOCHJYFZSA-N 447.556 5.773 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@@H]1c1ccc(OCC(C)C)cc1 170167459 IMIDSTYWFFEARA-DEOSSOPVSA-N 449.547 5.035 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccccn2)c(C)c1 170175517 DQVXJHRVSRNNMB-RUZDIDTESA-N 434.495 5.635 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@H]1c1ccncc1 170200235 DUPUSRSJYZFHKL-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)cc(C)c3OC)[C@@H]2c2ccncc2)cc1 170201103 BOCBKWUSIYHVNI-QHCPKHFHSA-N 442.515 5.052 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccncc2)c(C)c1 170205531 DNSPUYPERIIWNK-RUZDIDTESA-N 434.495 5.635 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCN(C)C)cc1 170245055 UBFWKFWGMVKKFH-VWLOTQADSA-N 442.559 5.103 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(Br)cc2)=C(O)C(=O)N1C1CCCC1 170278401 YPFXGTRJFHCOMB-HXUWFJFHSA-N 440.337 5.278 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@H]2c2ccco2)c1 170287306 WTWZGUNBAOKUBX-QHCPKHFHSA-N 425.440 5.224 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccco2)cc1Cl 170288157 NDQALQSHPYBKFP-OAQYLSRUSA-N 432.863 5.506 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(C)o2)cc1 170301372 OTIVAGJWCLNGMZ-QFIPXVFZSA-N 429.428 5.126 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(Cl)cc(Cl)c2)[C@@H]1c1ccc(F)cc1)c1ccco1 170377215 WSBLCZBLAAMTPN-GOSISDBHSA-N 432.234 5.508 30 10 IKEE CC1(C)OB(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)c3ccccc23)OC1(C)C 202062705 YPOJPNZEZITGFS-UHFFFAOYSA-N 441.258 5.410 30 10 IKEE Oc1c(Cl)cc(Cl)cc1C=NNc1nnc(-c2ccccc2)c(-c2ccccc2)n1 252619411 LOSZFWOHDLPJAT-UHFFFAOYSA-N 436.302 5.664 30 10 IKEE COc1ccc(N=C2[C@@H](N3CCCCC3)C3(CCCCC3)C(=O)N2c2ccc(C)cc2)cc1 254292619 XDCJEFXHDHXMHZ-RUZDIDTESA-N 445.607 5.885 30 10 IKEE COc1ccc(N=Cc2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1 254331510 ZYEATRUJSVVDHW-GDLZYMKVSA-N 431.539 6.802 30 10 IKEE COc1ccc(OC)c(/C=C/C(=O)N2CCCSC2=Nc2ccc(C)c(Cl)c2)c1 263627288 AFCPVNAMWPANDJ-FIPDPMCESA-N 430.957 5.332 30 10 IKEE C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@@H]1CCc1ccoc1CN1CCCC[C@H]1C 504006753 KXDYHZVEOJTNPL-QODNXHDVSA-N 441.656 6.539 30 10 IKEE biogenic COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(Cl)cc2)c(OC)c1 526491543 VLPJINXRCSKIBA-QHCPKHFHSA-N 446.890 5.286 30 10 IKEE Cc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1ccc(C(F)(F)F)cc1 526806244 XIYRNRXISJPUOI-ZMFRSBBQSA-N 432.515 6.077 30 10 IKEE CC(C)(C)c1ccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccccn2)cc1 526806600 MCFGCHJRGJCMPK-VEILYXNESA-N 441.604 5.736 30 10 IKEE CCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1ccc(OC)c(OC(C)C)c1 526809565 ICLBHPHKFFYNFK-QFEZKATASA-N 438.597 5.428 30 10 IKEE FC(F)(F)c1cccc(/C=N\n2cnnc2SCc2c(Cl)cccc2Cl)c1 526814227 KCQIQLGYSUATFK-GYRAYZOKSA-N 431.270 5.778 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(F)cc(Br)cc1F 689336368 IRPOILMUFFXEFZ-NVXWUHKLSA-N 433.337 5.237 30 10 IKEE CCCCCCC[C@@H](NCC)c1ccc(I)c(Br)c1 721644774 AZTJDRIKVXEPLF-MRXNPFEDSA-N 438.191 6.065 30 10 IKEE C/N=C1\S/C(=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)C(=O)N1C 1084070053 XKZKQIVNMJCGHJ-ZGNGNRKCSA-N 437.348 5.113 30 10 IKEE O=C1c2ccc(Cl)c3c(Cl)ccc(c23)C(=O)N1N=Cc1cccc(Br)c1 1084423128 KAOYMVWAAWEISK-UHFFFAOYSA-N 448.103 5.539 30 10 IKEE COc1ccc(C=Nc2ccc(N=Cc3ccc(OC)c4ccccc34)cc2)c2ccccc12 1084560681 TUNVCHIHAYMPMF-UHFFFAOYSA-N 444.534 7.511 30 10 IKEE CSc1nc(O)c(C(=O)N(C[C@@]2(Cc3ccccc3)C[C@H]3CC[C@H]2C3)C2CC2)cc1C#N 1336929516 LSHRYOKKLQMMHD-STTRJGPESA-N 447.604 5.034 30 10 IKEE COc1ccc(-n2cc(/C=N\NC(=S)Nc3cccc(C)c3)c(-c3cccs3)n2)cc1 1857809080 OVHHNVDWFGKUOI-OYKKKHCWSA-N 447.589 5.238 30 10 IKEE COc1cccc(/C=C/C(=O)Nc2cccc3c(OC(=O)c4cccc(C#N)c4)cccc23)c1 1858923687 AGZQXJXBSZEKOP-CCEZHUSRSA-N 448.478 5.591 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc3c(OC(=O)c4ccc(F)cc4F)cccc23)c1 1858930159 VFPWUCNJXNUACI-UHFFFAOYSA-N 428.394 5.461 30 10 IKEE N#Cc1c(NC(=O)c2c3c(nc4c(Br)cccc24)CCC3)sc2c1CCC2 1859653559 RUIQSMKYBAUWKU-UHFFFAOYSA-N 438.350 5.160 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2ccc(N(C)C)cc2)cc1 1862394146 CIDJFEJHEZTUNU-KOSHJBKYSA-N 434.580 5.472 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862406324 MPCTZDFNQDTZEZ-VLIAUNLRSA-N 447.453 5.399 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccc(O)cc2)c1 1862490354 UAEDWVPODJXMIF-DEOSSOPVSA-N 427.500 5.096 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccccc2C)c1 1862490429 VOKAWHGENZNJEW-XMMPIXPASA-N 445.946 6.044 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccc(CC)cc2)cc1 1862530799 YGORMFUDHVDDJF-SIBVEZHUSA-N 439.555 6.151 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2cccc(C)c2)cc1 1862534093 QEICNUAQRZLLFZ-AREMUKBSSA-N 439.555 5.769 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccccc2Cl)c1 1862589224 HENPJLPSWDVJBC-JOCHJYFZSA-N 433.891 5.133 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cccc(Cl)c2)cc1 1862660582 KHBBJFBZMLSFRU-IFMALSPDSA-N 439.939 5.221 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@H]2c2ccc(C)cc2)cc1 1862687105 GPBWPYBWMVZRSH-VWLOTQADSA-N 441.527 5.133 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccc(F)cc2)c1 1862702671 JDIWMCQUMRPLEY-QHCPKHFHSA-N 437.511 5.526 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 1862738418 AKGYNMILFWCNHL-FQEVSTJZSA-N 440.883 5.159 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2OC)=C(c2ccc(F)c(C)c2)C1=O 1863459610 SKPOODHMKGFXRU-UHFFFAOYSA-N 438.543 5.695 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC2CCCC2)=C(c2ccc(OC)cc2)C1=O 1863672096 ATYRMLDCIRLHIC-UHFFFAOYSA-N 426.601 5.448 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC(Oc3cccc(Cl)c3)CC2)nc(C(C)(C)C)n1 1869183890 MICHTVNKTJBKGC-UHFFFAOYSA-N 441.019 5.654 30 10 IKEE C=CCn1cc(OCCCCCC)c(=O)cc1CSCCc1nc2ccccc2[nH]1 1870186289 GHMSBGZZRFDJED-UHFFFAOYSA-N 425.598 5.346 30 10 IKEE CCCCCCCCn1cc(OCCCCOc2ccccc2)c(=O)cc1CSCC 1870222646 HQRHYQKUILKPDX-UHFFFAOYSA-N 445.669 6.700 30 10 IKEE CCCCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CNc1ccc(C)cc1 1871059673 RXYCRHQKTCOEDW-UHFFFAOYSA-N 438.656 7.255 30 10 IKEE CCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1cccc(C(F)(F)F)c1 1871251771 WCMNGSNHWOPNLD-UHFFFAOYSA-N 441.453 5.340 30 10 IKEE CC(C)OCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(Cl)cc1Cl)C3=O 1871345489 ZKHVPNDXJYMLNO-UKWGHVSLSA-N 434.319 5.187 30 10 IKEE Cn1cc(/C=C2\Oc3c(ccc4c3CN(Cc3ccccc3F)CO4)C2=O)c2ccccc21 1871346896 HCYOEHHACSJDHO-ROTLSHHCSA-N 440.474 5.286 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O3)CN([C@@H]1CCCC[C@H]1C)CO2 1871351061 ISTDPIDYWOJCAF-BPGAJJPESA-N 434.492 5.250 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871366678 MDKFJUDTBVHPEY-UCQKPKSFSA-N 448.446 5.133 30 10 IKEE Cc1c(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc2c1O/C(=C\c1ccccc1)C2=O 1871373091 BCHGMCQYGOHUJZ-JAIQZWGSSA-N 435.819 5.392 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OC(=O)Cc4cccc5ccccc45)c3C)C2=O)c1 1871376364 HHYFGZFSYGVBQK-QQXSKIMKSA-N 434.491 6.221 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc(Cl)c4C)ccc3C2=O)cc1 1871427013 IYADWJOTVDJUKJ-CFRMEGHHSA-N 447.918 5.845 30 10 IKEE CC(C)=C1Oc2c(ccc(OCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2C)C1=O 1871431867 ZRABVVBEOPMYLZ-UHFFFAOYSA-N 439.817 5.554 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCC(=O)NCc4ccccc4Cl)c3C)C2=O)cc1 1871445556 FQVCRRIGTIUHBH-QRVIBDJDSA-N 447.918 5.268 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2F)C3=O)cc1C 1871459608 SRRQZRINUNPYQE-QRVIBDJDSA-N 431.463 5.385 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(Cl)c(C)c2)[nH]c(N2CCCCC2)n1 1871663533 CBIQWQLGKSKHAU-UHFFFAOYSA-N 431.028 5.762 30 10 IKEE C=CCN([C@H](C(=O)Nc1cc(C)cc(C)c1)[C@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1871996855 HGTGBDSHVCMHQA-DVECYGJZSA-N 442.625 5.150 30 10 IKEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1872070387 UFDRLHFKCWMGLD-QFIPXVFZSA-N 446.588 5.043 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(CC)cc1)c1ccccc1)S(=O)(=O)c1ccccc1 1872090188 HRFHZSQFYJMHTH-RUZDIDTESA-N 448.588 5.196 30 10 IKEE N#C[C@@H](C(=O)CCCOc1ccccc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872763250 HWVCRADICQRFSJ-INIZCTEOSA-N 441.896 5.407 30 10 IKEE COc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3cccc4ccccc34)cs2)cc1 1872775476 RFMUAFQYELOYKW-QHCPKHFHSA-N 442.540 6.007 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(Cl)ccc3OC)n2)cc1Cl 1872785672 SQLCMUHKHDQFFZ-AWEZNQCLSA-N 433.316 5.624 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)s3)n2)c(OC)c1OC 1872788964 VPVOKPQBVAXEDF-LLVKDONJSA-N 434.926 5.041 30 10 IKEE N#C[C@H](C(=O)CN1CCC(Cc2ccccc2)CC1)c1nc2c(s1)CCc1ccccc1-2 1872800783 VRENPMYWEBVRSC-HSZRJFAPSA-N 441.600 5.040 30 10 IKEE C=CCc1ccccc1OCc1ccc(C(=O)Nc2ccc(C(=O)O[C@H](C)CC)cc2)cc1 1872859399 OZHHVPAFYYUVLC-HXUWFJFHSA-N 443.543 6.202 30 10 IKEE CCCCCCCCCCNC1=C(c2cccc(OC)c2)C(=O)N(Cc2ccncc2)C1=O 1873043760 IWUADKSYOAHGSK-UHFFFAOYSA-N 449.595 5.101 30 10 IKEE C=CCN1C(=O)C(NCCCCCCCCCC)=C(c2ccccc2Br)C1=O 1873069949 BIOKZHVZKZAYRP-UHFFFAOYSA-N 447.417 5.445 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@@H]2CCCC[C@H]2C)=C(c2cccs2)C1=O 1873156040 RINRLLLMEDBDIE-WOJBJXKFSA-N 430.658 6.137 30 10 IKEE C=CCNC(=O)c1c(NC(=O)CCCOc2ccccc2C(C)C)sc2c1CCCC2 1873441310 SIFSFFGXHZULFY-UHFFFAOYSA-N 440.609 5.464 30 10 IKEE C=CCn1c(C(=O)Nc2cc(C(C)C)cc(C(C)C)c2)cc2c(NCCOC)ncnc21 1873603618 JRRAMPJURHLQHB-UHFFFAOYSA-N 435.572 5.175 30 10 IKEE C=CCSc1nnc(COc2ccccc2Cl)n1/N=C/c1cccc(OCC)c1 1874267667 JGOPCZWQMDFSCF-OEAKJJBVSA-N 428.945 5.070 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(COc3ccccc3OC)nnc2SC)cc1 1874286927 DQZMFIBNLSWGGD-LFVJCYFKSA-N 440.569 5.039 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2OC)n1/N=C/c1ccccc1Cl 1874288553 LCWBFTOKDKLTMI-FSJBWODESA-N 428.945 5.070 30 10 IKEE CCSc1nnc(CCc2ccc(OC)cc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874306588 FZJDSUIWHLRCLM-AFUMVMLFSA-N 434.487 5.085 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1cc(OC)ccc1OC 1874342284 IROJRPVWWNKJEF-ZMOGYAJESA-N 442.972 5.090 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3F)n2/N=C/c2ccccc2C)cc1 1874373125 IPLMSNHBUMDQKP-JVWAILMASA-N 430.552 5.799 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3cccc(C)c3)nnc2-c2cccs2)c1 1874422043 QSZBOMQAQCQSFD-PCLIKHOPSA-N 448.617 6.278 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccco2)cc1 1874465993 MCTITFQASCYJAW-OEAKJJBVSA-N 449.492 5.020 30 10 IKEE Oc1ccc(Cl)cc1/C=N/n1c(SCc2cccc(F)c2)nnc1-c1ccco1 1874466173 UUJXZEABNNMMPA-FOKLQQMPSA-N 428.876 5.211 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SCCC)nnc2C(C)(C)C)cc1OCC 1874485355 QCBSMSPNGWHXBF-JJIBRWJFSA-N 432.634 5.928 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2ccccc2C)c(C)c1 1874486798 LCONYHKZUQLXPN-AFUMVMLFSA-N 435.597 5.114 30 10 IKEE CCOc1cc(/C=N/n2c(SC)nnc2C2CCC2)ccc1OCc1ccccc1C 1874491992 SQFHARNKBAPAAA-MFKUBSTISA-N 436.581 5.436 30 10 IKEE CCCCCOc1ccc(/C=N/n2cnnc2SCc2c(Cl)cccc2Cl)cc1 1874539500 IDTRTNLVHPXWLK-DHRITJCHSA-N 449.407 6.328 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Br)ccc2OCc2ccc(F)cc2)cc1 1874579432 NLEBZGRVFGNWON-XYOKQWHBSA-N 425.297 6.372 30 10 IKEE CCc1ccc(NC(=O)COc2ccccc2/C=C/C(=O)c2cc(OC)ccc2OC)cc1 1874580783 GCJLQACXROPDPE-RVDMUPIBSA-N 445.515 5.180 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(F)c(C)c2)c1OCC(=O)Nc1cccc(C)c1C 1874581530 RWGGJACJHSURAW-WYMLVPIESA-N 447.506 5.673 30 10 IKEE C=CCOc1c(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc(Br)cc1OC 1874591633 VBJZQAQZBZMJEP-QPJJXVBHSA-N 442.136 6.225 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1ccccc1F 1874602155 XHSDUCWSAHCUQQ-ZHACJKMWSA-N 437.423 5.226 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2)c(Br)c1)c1ccc(Cl)cc1 1874613226 JGGRLEPGFJAOLH-WUXMJOGZSA-N 427.725 6.578 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(OC)c1OCc1ccccc1C 1874614137 GRPDMVPPURZGRW-XNTDXEJSSA-N 432.947 6.861 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OCc1cccc(Cl)c1 1874616049 HZHWDEMBMAJOID-FMIVXFBMSA-N 441.354 7.176 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(OC)c1OCc1cccc(C)c1 1874620378 XAUWYMODNWOAKA-JLHYYAGUSA-N 430.519 6.655 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)c(OC)c1 1874633308 WHNGOAJMXRIMPB-RIYZIHGNSA-N 445.515 5.234 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(F)c3)c(Cl)c2)c2ccccc12 1874638033 FMFCAQMAMPCCIL-FMIVXFBMSA-N 446.905 7.116 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OCc1ccc(C)cc1 1874638437 ZSYMIWABKZMSAI-XYOKQWHBSA-N 441.354 7.176 30 10 IKEE CCc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)ccc2OC)cc1 1874692915 DEEZKNKHBUGWKL-UKTHLTGXSA-N 431.444 5.281 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccc(OC(C)=O)cc2)c1 1874704309 HVNDJKVAALTUOU-MDWZMJQESA-N 430.456 5.044 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccccc3F)c2)c2ccccc12 1874718757 VOEGUDUBIQAFAW-FYWRMAATSA-N 426.443 6.103 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(Cl)cc2)CSc2nnc(CCCC)n21 1874892886 DLEQHGKGPHMNAW-HXUWFJFHSA-N 449.064 6.336 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C(F)(F)F)cc3)cc2)cc1C 1875107127 BGOYJXMQQGXXKM-WLRTZDKTSA-N 440.417 6.138 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1OC 1875111197 YSFHEGSYZHPSHO-RIYZIHGNSA-N 445.353 6.230 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)CC1CCCCC1 1875133584 BQYZTTWPRQLHOJ-FYWRMAATSA-N 446.587 6.812 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)CCCOc1ccccc1C 1875136216 DEFPJOKWPRGKKM-FOWTUZBSSA-N 444.527 5.973 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)c1cccnc1 1875141324 YREGZGVVROHQFP-VMPITWQZSA-N 425.843 5.306 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1ccc(C)cc1 1875169842 ALVFBCLAUAHJSE-GXDHUFHOSA-N 442.555 6.743 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccn3)c(Br)c2)cc1C 1875175220 DVHABGURWOWMAX-JXMROGBWSA-N 436.305 5.576 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)c1ccc(F)cc1 1875175936 OHCUZGJOUOGFNU-VZUCSPMQSA-N 438.882 6.220 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)CC)c(OC)c2)c(OCC)c1 1875178197 YEMVWUWAUSBFEU-DHZHZOJOSA-N 432.900 5.358 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OC(=O)[C@H]2CCCO2)c(Cl)c1 1875180376 KXJBPLRDCFSEAE-ZEZYUPADSA-N 435.303 5.291 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)CCc3cc(Cl)ccc3Cl)cc21 1890676880 AELIVQVIAPNTKR-UHFFFAOYSA-N 447.362 5.502 30 10 IKEE CC(C)(C)c1cc(C(=O)N2CCC[C@H](COc3cc(C#N)ccn3)C2)cc(C(C)(C)C)c1 1891178773 LAVXHCHJUCJTAW-FQEVSTJZSA-N 433.596 5.479 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@](O)(CC)c1ccc(Br)cc1 1922075825 ZXUVVOKDMNKIPY-PKTZIBPZSA-N 432.402 5.188 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1coc([C@@H](C)NC(=O)OC(C)(C)C)n1 1922110266 BGSZRMCJBBFGHE-WIYYLYMNSA-N 429.561 5.074 30 10 IKEE CCCN(C(=O)OC(C)(C)C)[C@H](C#N)c1scc(Br)c1Br 1930759162 YIEYNKLSTKWGMT-SNVBAGLBSA-N 438.185 5.485 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1ccc(Cl)s1 1942299986 IJUYROKJMKKERK-CYBMUJFWSA-N 427.751 6.170 30 10 IKEE Cc1cccc(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 1950053787 DZKRNGCCWLBZSR-RGZWJVDOSA-N 427.545 5.028 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C1(C)C 1988070572 IMXJOFAUTZMJTL-QFIPXVFZSA-N 435.952 5.373 30 10 IKEE C=CCC1([C@H](N)c2ccc(Cl)c(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2035947759 FURIXXLKVXFJPS-OAHLLOKOSA-N 433.749 5.055 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCN(Cc2ccccc2)CC1 2042390053 BYNQRFIOQFZFKB-SANMLTNESA-N 435.568 5.385 30 10 IKEE CCN1C(=O)C(=Cc2cn(CCC#N)nc2-c2ccc(-c3ccccc3)cc2)SC1=S 2053498538 ZJSPWCKAOBIAGW-UHFFFAOYSA-N 444.585 5.352 30 10 IKEE C=CCCC(C)(C)CNCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071266839 IZHMOMBXTZNZPC-UHFFFAOYSA-N 429.604 6.927 30 10 IKEE CCCOc1ccc([C@H](n2nc(C(C)C)c(C=NO)c2Br)C2(C)CC2)cc1 2080056100 ORBLBZPNAXEGJK-IBGZPJMESA-N 434.378 5.755 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Cl)c(Br)c1F 2097185063 YOKITVZWRNLITN-WMLDXEAASA-N 449.792 5.752 30 10 IKEE C=CCN(CC[C@H](NCC)c1c(F)ccc(Br)c1F)C(=O)OC(C)(C)C 2099292703 LKKCUCXESCBOLH-HNNXBMFYSA-N 433.337 5.191 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@H]1Nc1cc(Br)c(C#N)cc1F 2106037962 HDYGYHOXEQCPAE-HZPDHXFCSA-N 426.330 5.098 30 10 IKEE N#Cc1cc(NCc2ccc(I)c(Cl)c2)ccc1Br 2143027338 VQDAVKRRYDUBIT-UHFFFAOYSA-N 447.501 5.191 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)cc(Br)cc1F 2145542717 BPIFMZVASKPGDC-SJLPKXTDSA-N 445.348 5.075 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)ccc(Br)c1F 2159128862 WXSGSVOUHQMTEK-QAPCUYQASA-N 445.348 5.075 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(Nc3cc(Br)cc(C#N)c3)CCCCC[C@H]12 2162344824 XSGXCVHYRMNQEC-RXVVDRJESA-N 434.378 5.445 30 10 IKEE CC(C)(C)OC(=O)N(CCNc1cc(Br)cnc1C#N)C1CCCCCC1 2167617931 VOTCMAJRACTGRL-UHFFFAOYSA-N 437.382 5.088 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCN[C@H](C2CCC2)C1 2194158129 LPFFOPFZTKYLDA-LAUBAEHRSA-N 434.378 5.005 30 10 IKEE Cc1c(Cl)cc(CN2CC[C@@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)cc1Br 2194166166 CHGCTSWUIDEYKF-QRWLVFNGSA-N 440.618 5.469 30 10 IKEE CN(c1cc(Br)cc(F)c1C#N)[C@H]1CCCC[C@H]1N(C)C(=O)OC(C)(C)C 2203605762 GXXAISTZOSTDEC-DLBZAZTESA-N 440.357 5.074 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1sc(C)c(C)c1Br 2221826131 FOWYQGBLUHIIFC-HOCLYGCPSA-N 429.424 5.085 30 10 IKEE N#Cc1cccc(C(=O)c2sc(Br)c(Br)c2Br)c1 2222447920 HMRUOCCJTLDIDA-UHFFFAOYSA-N 449.949 5.138 30 10 IKEE C=C(C)CC[C@@H](NCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229130127 KRFAXWPHUGYUFS-RTBURBONSA-N 425.411 5.219 30 10 IKEE CC(C)(C)OC(=O)N[C@H](CC(=O)C#Cc1ccccc1Br)c1ccccc1 2235727318 KXOJJPGGIXTSRK-HXUWFJFHSA-N 428.326 5.026 30 10 IKEE Cc1cc(NC(=O)OC(C)(C)C)cc(NC(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)c1 2255621279 KLHBUTSDXKYNKE-IYBDPMFKSA-N 430.354 5.153 30 10 IKEE C=C(CC)C[C@@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2262930787 NZOSBNOGQQLAIL-HHHXNRCGSA-N 431.576 6.217 30 10 IKEE C=CCCC1(C(=O)Nc2cc(Br)ccc2Cl)CN(C(=O)OC(C)(C)C)C1 2266308410 SZKIKYLQDZEFNS-UHFFFAOYSA-N 443.769 5.244 30 10 IKEE C=CCCCC[C@](C)(OCC(=O)O)c1cc(Br)c(Br)s1 2291466667 RHHCVZHNXHEPEU-AWEZNQCLSA-N 426.170 5.336 30 10 IKEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C 2296279403 OMECJJIJIORQCT-OALUTQOASA-N 437.422 5.060 30 10 IKEE O=C1C(=Cc2cc3c(cc2[N+](=O)[O-])OCO3)SC(=Nc2ccccc2)N1c1ccccc1 2296453297 JSBIVTUUISRGHS-UHFFFAOYSA-N 445.456 5.132 30 10 IKEE CC(C)c1ccc(C=C2Oc3cc(OCC(=O)OCc4ccccc4)ccc3C2=O)cc1 2296602896 GGUKEGPZIBBTMC-UHFFFAOYSA-N 428.484 5.548 30 10 IKEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccc(C)cc2)cc1 2296936299 LKDWWGIPGQVYER-JOCHJYFZSA-N 440.524 5.539 30 10 IKEE COc1ccc2c(c1)CC[C@@H]1C2=NN(C(C)=CC(C)=O)[C@H]1c1ccc(Br)cc1 2297320998 ZXOVSPPEKNYKJJ-GGAORHGYSA-N 439.353 5.274 30 10 IKEE CCCCN1C(=O)C(=C2SC(=Nc3ccc(C)c(Cl)c3)NC2=O)c2ccccc21 2297460633 FGSBTRALSWEUPG-UHFFFAOYSA-N 425.941 5.057 30 10 IKEE CC(C)(C)c1csc(N2N=C(c3ccccc3)C(=NNc3ccc(Cl)cc3)C2=O)n1 2297709039 ZJLLTRLQOBOFHJ-UHFFFAOYSA-N 437.956 5.313 30 10 IKEE CCOC(=O)c1ccc(-c2ccc(C=C3SC(=Nc4ccc(OC)cc4)NC3=O)o2)cc1 2313511430 SGPBFXCJUNWHNM-UHFFFAOYSA-N 448.500 5.024 30 10 IKEE C=CCCC1([C@H](NC)c2cccc(OCc3ccccc3)c2)CN(C(=O)OC(C)(C)C)C1 2314454699 IIEZNZZTOOIAKG-XMMPIXPASA-N 436.596 5.729 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2Cl)SC(=Nc2nccs2)N1C1CCCCC1 2314543042 UIICWMJQZWQYCX-UHFFFAOYSA-N 438.405 6.387 30 10 IKEE Cc1ccccc1COc1cc(C)c2c(c1)OC(=Cc1ccccc1Br)C2=O 2321740269 XPDSUWXDGZREGD-UHFFFAOYSA-N 435.317 6.261 30 10 IKEE CCn1cc(C=C2Oc3c(ccc4c3CN([C@H]3CCCC[C@H]3C)CO4)C2=O)c2ccccc21 2322146231 VUHFDPMBDMOUEU-JPYJTQIMSA-N 442.559 6.008 30 10 IKEE Cc1ccsc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(Cc1nc2ccccc2[nH]1)C3 2322193004 YOJYRCMFIZXICJ-UHFFFAOYSA-N 443.528 5.210 30 10 IKEE Cc1ccc(CCN2COc3cc(C)c4c(c3C2)OC(=CC=Cc2ccccc2)C4=O)cc1 2322223654 MEIICWGWJBKFQZ-UHFFFAOYSA-N 437.539 5.870 30 10 IKEE Sc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1ccc(Cl)cc1Cl 2322259145 BFVUYIJHTJTZCU-UHFFFAOYSA-N 448.162 5.642 30 10 IKEE Cc1cccc(NC(=O)COc2ccccc2C=CC(=O)c2cccc([N+](=O)[O-])c2)c1C 2322307682 KNBICUUGLIILQB-UHFFFAOYSA-N 430.460 5.125 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCc2cc(C)ccc2C)cc1 2322356806 PNPHMIPSEFVUSJ-UHFFFAOYSA-N 434.963 7.003 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)N[C@@H](C)c2ccccc2)cc1 2322371014 BPDFGHJZKLGAGJ-FQEVSTJZSA-N 443.543 5.410 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccc(C)cc2C)cc1F 2322703695 MDRCNMPNIDQCJG-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE C=CCOc1c(C=CC(=O)c2ccc(OCCCCCCC)cc2)cc(Cl)cc1OC 2322760019 MLFVFGQJJGLUJC-UHFFFAOYSA-N 442.983 7.159 30 10 IKEE CCCOC(=O)COc1c(C=CC(=O)c2ccc(OC)c(C)c2C)cc(Cl)cc1OC 2322819417 VOCSYGSEALWOIR-UHFFFAOYSA-N 446.927 5.202 30 10 IKEE Cc1cccc(NC(=O)COc2ccccc2C=CC(=O)c2c(C)c(C)cc(C)c2C)c1C 2322836682 NOIQKATWMSFLRY-UHFFFAOYSA-N 441.571 6.451 30 10 IKEE CCCN(CCC)C(=O)COc1cccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)c1 2323044187 IGYBZUZDQHWZPE-UHFFFAOYSA-N 441.571 6.277 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OC(=O)CCc4ccc(Cl)cc4)ccc3C2=O)cc1 2323101778 WFSRQIUFUAVPFM-UHFFFAOYSA-N 448.902 5.893 30 10 IKEE CCCCCCCCCOc1ccc(C=NNc2nc3ccccc3s2)cc1OC 2323153600 JDWVNWUQLYRYIT-UHFFFAOYSA-N 425.598 6.880 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)c(Br)c1OCCO 2323327555 WPNNKQOWHUOTIG-UHFFFAOYSA-N 446.124 5.032 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OCc1cccc(C)c1 2323433408 HSRIUFAQOIXTLQ-UHFFFAOYSA-N 426.556 6.748 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccccc3Cl)cc2Cl)o1 2323603411 YZPDSUBMORWBDH-UHFFFAOYSA-N 445.298 6.238 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 2323802824 RVMUIXVIMHTFFK-UHFFFAOYSA-N 439.870 5.401 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OCc3ccccc3F)c(Br)c2)ccc1F 2323972038 DFNPQZRLWXCVPN-UHFFFAOYSA-N 443.287 6.511 30 10 IKEE CC(C)N(Cc1ccccc1)Cc1c(O)ccc2c1OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2324011956 KFIWICRXZTUWQB-UHFFFAOYSA-N 444.487 5.327 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OCC(=O)N[C@@H](C)c1ccccc1 2324194706 NSNRATHNENXMEY-IBGZPJMESA-N 447.506 5.377 30 10 IKEE COc1cccc(C=C2Oc3cc(OCCOc4ccccc4)cc(C)c3C2=O)c1OC 2324220396 BDCDQTJRNZSEOR-UHFFFAOYSA-N 432.472 5.086 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)c1OCc1cccc(F)c1 2324451620 GXIQESXZZZSDJZ-UHFFFAOYSA-N 438.926 6.970 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2C)C3=O)cc1 2324454136 CANSCQBLNZKAFC-GOSISDBHSA-N 443.499 5.334 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc(Cl)c1OCCCO 2324537432 SRMARRQHPWMQLU-UHFFFAOYSA-N 439.335 5.366 30 10 IKEE COc1ccccc1C(=O)C=Cc1cccc(OC(=O)CCCOc2c(C)cccc2C)c1 2325724215 WJQKBNXUXFBNBW-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cccc(OC(=O)Cc2ccccc2[N+](=O)[O-])c1 2325757468 MZRAXECPIZPBLT-UHFFFAOYSA-N 445.471 5.264 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2cccc(OC(=O)c3ccncc3)c2)cc1Cl 2325766917 MRWNSWOALYXICP-UHFFFAOYSA-N 428.271 5.512 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc(Br)c1O 2325794380 CUTKDBZYMJIXGR-UHFFFAOYSA-N 433.342 5.756 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccc(CC)cc1 2326091377 FXHBHHKJAXSHPO-UHFFFAOYSA-N 443.016 5.890 30 10 IKEE CCCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1cccc(Cl)c1 2326336806 VINVWGUYBWWLNW-UHFFFAOYSA-N 441.044 6.746 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1cccc(OCC)c1O 2326450740 JGBBYYZBPQJVDF-UHFFFAOYSA-N 438.597 5.516 30 10 IKEE CCCOc1cc(C=Nn2c(CC)nnc2SCc2cccc(Cl)c2)ccc1OC 2326468060 MXJWEYGUZXOHFA-UHFFFAOYSA-N 444.988 5.466 30 10 IKEE Cc1ccc(O)c(C=Nn2c(COCc3ccccc3)nnc2SCc2ccccc2)c1 2329341343 OOSMUPCAGGGDKS-UHFFFAOYSA-N 444.560 5.183 30 10 IKEE Cc1cccc(C=Nn2c(CCc3cccs3)nnc2SCc2ccc(F)cc2)c1 2329636528 ZJNDZUXCFLUXKR-UHFFFAOYSA-N 436.581 5.747 30 10 IKEE O=[N+]([O-])c1ccccc1C=Nn1c(Cc2ccc(F)cc2)nnc1SCc1ccccc1 2329837164 OYNKAIJYUASROC-UHFFFAOYSA-N 447.495 5.091 30 10 IKEE Fc1ccc(Cc2nnc(SCc3ccccc3Cl)n2N=Cc2ccccn2)cc1 2329842521 QVAADLQXEXXZDU-UHFFFAOYSA-N 437.931 5.231 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2ccc(C(=O)O)cc2)cc1 2329986317 SKQADNFUAWUQMG-UHFFFAOYSA-N 442.544 5.050 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCc3ccccc3C)nnc2[C@H](C)c2ccccc2)c1 2330057810 RVLPAUQXEUXAQL-HXUWFJFHSA-N 442.588 5.927 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(CC3CCCCC3)n2N=Cc2ccco2)cc1 2330251694 GSWWLAKVAVKBBX-UHFFFAOYSA-N 425.514 5.077 30 10 IKEE CCSc1nnc(CC2CCCCC2)n1N=Cc1ccc(OCc2ccccc2)cc1 2330258965 IBGUABGNESNMPZ-UHFFFAOYSA-N 434.609 5.974 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3)c(Cl)c2)cc1 2330832778 QYERHHMYNFJBEZ-UHFFFAOYSA-N 432.947 6.727 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc([C@H]2CCCO2)n1N=Cc1cccnc1 2330975411 FNZGZBXLNXNXCU-QGZVFWFLSA-N 434.352 5.006 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC 2331044454 LTIRJNAZGPTMGI-UHFFFAOYSA-N 425.481 5.765 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2-c2ccccc2)cc1)c1cccc(Cl)c1 2331117542 BKJUXPDHYBBCPF-UHFFFAOYSA-N 438.910 7.122 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)cc([N+](=O)[O-])c1OC(=O)C(C)(C)C 2331150384 XBWYCGCUAMIUEE-UHFFFAOYSA-N 431.872 5.495 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OC(=O)c1ccc(N(C)C)cc1 2331173960 RCDSHYKPHDZDCF-UHFFFAOYSA-N 449.934 5.920 30 10 IKEE Cc1cccc(C)c1OCC(=O)Oc1ccc(C=CC(=O)c2ccccc2)cc1[N+](=O)[O-] 2331174062 MKEVUNDTGMLVIO-UHFFFAOYSA-N 431.444 5.092 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccccc1OC(C)C 2331337948 MILZMWMOBIGDHM-UHFFFAOYSA-N 436.625 6.199 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(O)cc1O 2331344481 QJNCNNUCWOWRDL-UHFFFAOYSA-N 432.549 5.360 30 10 IKEE COCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(Cl)cc1 2331611824 KTYZXVWIHNZBMS-UHFFFAOYSA-N 441.771 5.559 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(C(C)C)cc2)cc1 5926547 AUIIHNCJRUDSLF-QHCPKHFHSA-N 447.556 6.053 30 10 IKEE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)S/C1=N\c1ccc(Cl)cc1 20161096 PZUUMDLVERTDDA-BJUXRVGASA-N 434.348 5.140 30 10 IKEE COc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(C(C)(C)C)cc2)C3)cc1Cl 21218152 GHRDGMCHBSBIBH-IEBWSBKVSA-N 437.967 5.650 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(C(F)(F)F)cc2)cc1 21252987 DQFSWVBWRZBWFU-QFBILLFUSA-N 429.438 5.108 30 10 IKEE CCOC(=O)c1ccc2c(c1)nc(SCc1ccc(C#N)cc1)n2Cc1cccc(F)c1 25142473 AWUYEWDSNFNYHM-UHFFFAOYSA-N 445.519 5.564 30 10 IKEE COc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(Sc4nc5ccccc5[nH]4)o3)S2)cc1 33145060 JCUQFBSGJBJVSM-LDADJPATSA-N 448.529 5.207 30 10 IKEE COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccc(Cl)cc2)ccc1O 33321096 LLUMZAUJCNOVHZ-NYHFZMIOSA-N 436.895 5.309 30 10 IKEE COc1cc(/C=C2/CC/C(=C/c3ccc(OC(C)C)c(OC)c3)C2=O)ccc1OC(C)C 33334028 BPFXIWBXTKYKNV-JZTLMNBPSA-N 436.548 6.108 30 10 IKEE C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3cc(Cl)c(Cl)c(OC)c3)c12 33420570 PRCJGTXFXJLODG-KTKRTIGZSA-N 440.330 5.995 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1cccs1 34954969 FFEXMIBSSJHEQP-OQLLNIDSSA-N 440.520 6.539 30 10 IKEE C=C(C)C(=O)NCCCc1nc2ccccc2n1CCCCOc1ccc(Cl)cc1 35144749 BUSSZLOIUSLVLE-UHFFFAOYSA-N 425.960 5.174 30 10 IKEE C=C[C@](C)(O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)CC1CC1 36308829 KAGCFBDVDCENSY-SANMLTNESA-N 435.543 5.168 30 10 IKEE C=CCOc1ccc(/C=C2\S/C(=N/c3nnc(C)s3)N(C3CCCCC3)C2=O)cc1 39866553 MNNSYXSTFFCTGL-UVOXWLTBSA-N 440.594 5.348 30 10 IKEE C=C(C)C(=O)NCCCc1nc2ccccc2n1CCCOc1cc(C)c(Cl)c(C)c1 40210187 YJJNJEAAGHBILK-UHFFFAOYSA-N 439.987 5.401 30 10 IKEE COc1ccccc1CN1COc2cc(C)c3c(c2C1)O/C(=C\c1cccc(C)c1)C3=O 41647703 XOSVJKJSUJDPAM-CFRMEGHHSA-N 427.500 5.280 30 10 IKEE CC(=O)C1=C(C)Nc2nc(SCc3ccccc3)nn2[C@H]1c1ccc(C(C)(C)C)cc1 54642198 JGSONDNEFBDLHU-QFIPXVFZSA-N 432.593 5.746 30 10 IKEE C=CCSc1nc2ccc(NC(=O)CSc3nc4ccccc4n3CC)cc2s1 59048961 UJYNVTFEDYBWGK-UHFFFAOYSA-N 440.619 5.675 30 10 IKEE C=CCOc1cccc(NC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)c1 100439897 DFDWJDQIEWUTBT-UHFFFAOYSA-N 427.331 6.483 30 10 IKEE O=C1/C(=C/c2c[nH]c3ccccc23)S/C(=N/c2ccncc2Cl)N1c1ccccc1 101127644 YVMCJRSBJBXZFM-CUAFMTEGSA-N 430.920 6.025 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(Oc2cccnc2)c1N 101532006 SDBXTWDWOHNIRM-UHFFFAOYSA-N 427.637 7.139 30 10 IKEE CCCCCCCCCCCN1C(=O)[C@H](C)CN(C(=O)c2ccccc2)c2ccccc21 101908384 JYESCABTRWPXBY-HSZRJFAPSA-N 434.624 6.847 30 10 IKEE CCCCCCCCCCCCCCCCn1c(CCc2ccccc2)nc2ccccc21 102191395 IUOLNSZPCSDIPR-UHFFFAOYSA-N 446.723 9.303 30 10 IKEE CCCCCCCCCN1C(=O)[C@@H](C)Oc2ccc(-c3csc(CCOC)n3)cc21 103757659 WHTMIUNYPSOOHL-GOSISDBHSA-N 430.614 5.864 30 10 IKEE O=C1/C(=C\Nc2ccc(Cl)cc2)S(=O)(=O)N(Cc2cccc(F)c2)c2ccsc21 105337671 OHZVITPVEMTJFD-WOJGMQOQSA-N 448.928 5.027 30 10 IKEE N#Cc1ccc(Br)cc1Nc1ccc(Br)cc1Br 123160822 VPMRRGQHLJXTGU-UHFFFAOYSA-N 430.925 5.589 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2cc(C)ccc2C)c1 169933115 OIOYNJKDWIKZDT-RUZDIDTESA-N 441.527 5.712 30 10 IKEE CCN1C(=S)N[C@@H](c2ccc(OCc3cccc(Cl)c3)c(OC)c2)C(C(C)=O)=C1C 169933300 CTOJJITVUDUVEW-QFIPXVFZSA-N 444.984 5.042 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccc(O)cc2)c1 169958494 ZAPLZBJFQUIHMM-JOCHJYFZSA-N 435.426 5.070 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1cccs1)c1cccc([N+](=O)[O-])c1 169985792 LRWACGQWBAZNIC-GOSISDBHSA-N 440.864 5.093 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@H]1c1ccccn1)c1c[nH]c2ccccc12 169992991 GNWZSRQBCNQNTI-NRFANRHFSA-N 447.853 5.138 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccccc2)cc1 170052549 RZNIKJSBAUNVOR-XMMPIXPASA-N 443.499 5.185 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccc(F)cc2)cc1C 170062553 HYLPGPAEUDCKLB-XMMPIXPASA-N 445.490 5.542 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2c[nH]c3ccccc23)cc1 170073600 ZFYVRVPPYRGMJR-XMMPIXPASA-N 440.474 5.652 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2c2ccccc2)c1 170118010 SVSDPNAPJAGFTH-JOCHJYFZSA-N 449.890 5.140 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccs2)cc1C(C)C 170159039 XRZMASJWLPQENZ-HSZRJFAPSA-N 447.556 6.053 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccs2)cc1C(C)C 170161469 WKMUGPHWZONIKB-HSZRJFAPSA-N 447.556 5.971 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccccc2)c1 170225631 HBGDGVXNFVRCEQ-AVRWGWEMSA-N 439.511 5.410 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1)c1cc2cc(Cl)ccc2o1 170226338 KWYCHNNKXYMFML-QFIPXVFZSA-N 429.859 5.869 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(F)cc1)c1ccc2c(c1)CCCO2 170242414 BHEHRBYFPOTKEV-HSZRJFAPSA-N 435.495 5.062 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@@H]1c1ccccc1F 170252811 OYNAZIBVTKOAJS-QFIPXVFZSA-N 425.500 5.254 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)c(Cl)c2)=C(O)C(=O)N1C1CCCC1 170278439 PZSRIDRISORMEY-FQEVSTJZSA-N 430.331 5.823 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2ccco2)cc1 170281127 YSHNFPHZRGBVOP-HSZRJFAPSA-N 429.472 5.121 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccco2)ccc1Cl 170282242 AKGYYSPNQKBTIW-HXUWFJFHSA-N 441.842 5.254 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccco2)c1 170282885 PXGPJJMWULWGTC-NRFANRHFSA-N 437.879 5.423 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccc(C)o2)c(C)c1 170301956 VSIWSJUSGUNNRX-QHCPKHFHSA-N 431.488 5.305 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Oc3ccccc3)cc2)[C@@H]1c1ccco1)c1ccccc1 170400742 JJHPIOPXHKMZIU-XMMPIXPASA-N 437.451 5.855 30 10 IKEE CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2C1 253534017 XQIVDOSRZQSWFL-WLJPVBAHSA-N 438.696 7.556 30 10 IKEE Cl/C(=C/C=NN=C/C=C(/Cl)c1ccc2ccccc2c1)c1ccc2ccccc2c1 254827454 ZNROLMNGIYQMRQ-PFIVESOSSA-N 429.350 7.909 30 10 IKEE O=[N+]([O-])c1ccc(Cn2cc(C=N/N=c3/[nH]c4ccccc4s3)c3ccccc32)cc1 263629938 WUGAGDSCLUBIAR-UHFFFAOYSA-N 427.489 5.075 30 10 IKEE CCCCCCCCCC[C@H](N)c1ccc(Br)cc1NC(=O)OC(C)(C)C 406419563 YKIRWOJYAKFIBV-IBGZPJMESA-N 441.454 7.327 30 10 IKEE CCOc1cc([C@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccccc2C#N)ccc1OC 526607997 BQUJJWYERDFXAO-VWLOTQADSA-N 440.499 5.331 30 10 IKEE CCCCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 526773596 TUZHPHYHBBDPDG-DEOSSOPVSA-N 445.946 6.466 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1c(Cl)cccc1Cl 526805336 KPKCHPNCATWQHL-CFRMEGHHSA-N 433.408 6.410 30 10 IKEE COc1c(Cl)cc(/C=N\n2cnnc2SCc2c(F)cccc2Cl)cc1Cl 526816794 JVGAUPAGKZAPNV-FINSYCMTSA-N 445.734 5.561 30 10 IKEE C[C@H]1CCc2c(sc3ncnc(Nc4cccc(OCc5ccccc5C#N)c4)c23)C1 586473429 WZUWOXSDPJDZMY-INIZCTEOSA-N 426.545 6.010 30 10 IKEE COc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)c(F)c1 698456041 GZBNDGYFDCFTSA-GOSISDBHSA-N 435.293 5.603 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1 698470980 WZTZILPYFXGPSQ-HOYKHHGWSA-N 429.561 5.418 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698878512 ZBCAFADSLLKPKL-CYFREDJKSA-N 435.609 5.628 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2c(F)cccc2Br)cc1 698977263 GBQZZAZAAFUIHW-KRWDZBQOSA-N 435.293 5.603 30 10 IKEE CCCCCCCCCC[C@@H](NN)c1scc(Br)c1Br 705407806 YQIKWNTUNNFQEN-CYBMUJFWSA-N 426.262 6.308 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C1 724076425 GWNJNPULQAYKKE-ZHRRBRCNSA-N 435.590 5.072 30 10 IKEE COc1ccc2ccccc2c1C=Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2 1083943485 MYJLPBYQMHUDEM-UHFFFAOYSA-N 440.568 6.792 30 10 IKEE CC[C@H](C(=O)Nc1ccc(/C=C\C(=O)c2ccc(Br)cc2)cc1)c1ccccc1 1084012811 ZPJGJHMCIRXURS-HPZACDGNSA-N 448.360 6.478 30 10 IKEE O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1ccc(-c2cccc(Cl)c2Cl)o1 1084301086 VKEMWJUEVIFQFS-LICLKQGHSA-N 433.291 6.284 30 10 IKEE CCN(CC)c1ccc(/C=C2\CCC(C=N/N=C/c3ccccc3)=C2N2CCOCC2)cc1 1085283028 TXIZNGFYAHEFAQ-GUTGLNOASA-N 442.607 5.401 30 10 IKEE CCCCCCCCCCCCSc1cc(O)c(-n2n3c4ccccc4n23)cc1O 1775938030 DJOYLZLEGMJMAN-UHFFFAOYSA-N 427.614 6.845 30 10 IKEE NC(=S)N/N=C\c1cn(-c2cccc(Cl)c2)nc1-c1ccc(-c2ccccc2)cc1 1857807622 SOAQSUZNKHLZHE-WGARJPEWSA-N 431.952 5.027 30 10 IKEE N#Cc1ccccc1NC(=O)c1nc(COc2ccc(Cl)cc2Cl)n2ccccc12 1858337600 SPQBPRWWORYMKT-UHFFFAOYSA-N 437.286 5.344 30 10 IKEE CCOC(=O)c1sc(NC(=O)c2ccc3oc(-c4ccc(C)cc4)nc3c2)c(C#N)c1C 1859735958 FCQISUOEUGPDSW-UHFFFAOYSA-N 445.500 5.474 30 10 IKEE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)Nc1sc2c(c1C#N)CCC2 1859759907 WYFXWQJVYHNSKI-UHFFFAOYSA-N 428.344 6.038 30 10 IKEE CCCCCCCCCOc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 1860152022 COGLQRADYZGRIT-MHWRWJLKSA-N 434.407 7.775 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(F)cc2F)=C(O)C(=O)N1[C@@H](C)c1ccccc1 1862412240 ZOWHNJZKUFJMAE-QMHKHESXSA-N 433.454 5.613 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862429223 IROCCQRJUBBNPF-QHCPKHFHSA-N 437.967 6.340 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2C2CCCCC2)cc1 1862458931 YIQCJVRBBOJNGT-OAQYLSRUSA-N 445.437 5.024 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC2=CCCCC2)cc1O 1862480430 GZMKUWVDQMSGGV-DEOSSOPVSA-N 447.531 5.178 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2c(F)cccc2Cl)cc1 1862481170 YJIAKFHTQOEQRP-HSZRJFAPSA-N 449.909 5.609 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2cccc(Cl)c2)ccc1F 1862503087 PFYXQKFWBXXQEH-QHCPKHFHSA-N 449.909 5.609 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 1862520292 DWSRITRHRSOEAM-FQEVSTJZSA-N 447.453 5.483 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCCc3ccccc3)[C@@H]2c2cccc(F)c2)c1 1862555527 FKFLRQKQBCYHMA-XMMPIXPASA-N 444.506 5.009 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2ccccc2C)cc1 1862589786 TZPSXKVGGGQARJ-CJAUYULYSA-N 441.527 5.603 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 1862616341 QEIMIQUYMCCTEA-VWNXMTODSA-N 447.575 5.304 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1ccc(C(C)C)cc1 1862640253 MJKXWKKKQSRQSG-NYHFZMIOSA-N 425.500 5.335 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(O)cc1 1862649825 HLKZWETZWXAEOF-WXTAPIANSA-N 449.506 5.885 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862666387 CIHBERAOPNZJAD-UUOWRZLLSA-N 433.592 6.484 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(O)cc1 1862687728 OEKCOHURIZNJQA-HSZRJFAPSA-N 437.536 5.340 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1c(F)cccc1Cl 1862719384 KSRXAXXGYJCQEQ-JOCHJYFZSA-N 437.898 5.867 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)=C(O)C(=O)N1C1CCCCCCC1 1862736763 OAXNZAXNFSXJPT-HSZRJFAPSA-N 448.519 5.594 30 10 IKEE CCOc1ccc(C2=C(Nc3ccc(Cl)cc3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862839513 REVSVGKJZYAHQQ-UHFFFAOYSA-N 443.890 5.007 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C(C)(C)C)C(=O)N(c3cccc(C#N)c3)C2=O)cc1C 1862879415 QLMDVEGSWJWXNY-UHFFFAOYSA-N 449.554 5.869 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(F)c(C)c2)C(=O)N(CCOC(C)C)C1=O 1863787113 AQFQCFRLMKUEJO-UHFFFAOYSA-N 446.607 5.369 30 10 IKEE CC(C)c1nc(Nc2ccc(C#N)cc2)cc(N2[C@H](Cc3ccccc3)COCC2(C)C)n1 1868242322 MGNINVUTCNSJHN-HSZRJFAPSA-N 441.579 5.442 30 10 IKEE CCCCCCCCCCn1cc(OC)c(=O)cc1CN(CC)CCc1ccncc1 1870553774 IQRDTTDZDZQHIJ-UHFFFAOYSA-N 427.633 5.457 30 10 IKEE CCCCCCCOc1cn(CCc2ccccc2)c(CNc2cccc(F)c2)cc1=O 1870830460 PUHKCLKMXLXSIJ-UHFFFAOYSA-N 436.571 6.191 30 10 IKEE CCCCCCCCN=c1[nH]c(Nc2ccc(N3CCC(C)CC3)cc2)ncc1[N+](=O)[O-] 1871308572 RWOWCBBNRJTYCY-UHFFFAOYSA-N 440.592 5.559 30 10 IKEE Cc1cc(OC(=O)N2CCOCC2)cc2c1C(=O)/C(=C/c1ccc(-c3ccccc3)cc1)O2 1871362778 DRGASTLDFRSIKZ-JLPGSUDCSA-N 441.483 5.109 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871381868 GQLXEUXALLGYAR-QRVIBDJDSA-N 428.440 5.064 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OC(=O)/C=C/c4ccc([N+](=O)[O-])cc4)c3C)C2=O)cc1 1871382122 LIQUBWPRGSNILP-DYAARSSKSA-N 441.439 5.447 30 10 IKEE Cc1cc(O)c(CN2CCC[C@H](C)C2)c2c1C(=O)/C(=C/c1ccc(-c3ccccc3)cc1)O2 1871396595 OFUGIYINUPMJQB-HPUZFYODSA-N 439.555 6.216 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(C)c1)C2=O 1871424694 STQWHHOAZNJAJU-OYKKKHCWSA-N 427.500 5.500 30 10 IKEE CCCCCCCCN=c1nc(N(CCC)CCCC)[nH]c(=Nc2cc(C)cc(C)c2)[nH]1 1871550424 MLRYYXKUGFWOGY-UHFFFAOYSA-N 440.680 5.865 30 10 IKEE CCCCCCCCN=c1nc(N2C[C@@H](C)C[C@H](C)C2)[nH]c(=Nc2cccc(C)c2C)[nH]1 1871590791 LYGNYXLEUQIXDM-PMACEKPBSA-N 438.664 5.331 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(C(C)C)cc1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1871852524 UKPIVLYGEVXGFJ-RDPSFJRHSA-N 442.625 5.349 30 10 IKEE C=C(C)CN([C@H](CC)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)c(C)c1 1872434232 PRESSXVFEPKOLE-JOCHJYFZSA-N 449.016 5.249 30 10 IKEE NC1=C(c2nc3ccccc3s2)C(=O)CN1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1872730384 FGFVMDDVFIKUEM-UHFFFAOYSA-N 443.372 5.051 30 10 IKEE CC(C)c1ccc(O[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1 1872777767 VVRXHNCNQWEAJL-OXQOHEQNSA-N 429.545 6.059 30 10 IKEE N#C[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872779975 WNQANUGHMNGVSA-NRFANRHFSA-N 441.468 6.001 30 10 IKEE CCCCCCCCNC1=C(c2cccc3ccccc23)C(=O)N(C2CCCCC2)C1=O 1873025417 BUXMLMCEOKPHDR-UHFFFAOYSA-N 432.608 6.203 30 10 IKEE N#Cc1ccc(NC2=C(c3c(Cl)cccc3Cl)C(=O)N(C3CCCCC3)C2=O)cc1 1873287550 CTWGEGDGTPBPLX-UHFFFAOYSA-N 440.330 5.390 30 10 IKEE Cc1cccc(OCCCc2nnc(SCc3ccccc3C)n2/N=C/c2ccco2)c1 1874245553 KNDSVRHZNYUOQJ-YZSQISJMSA-N 446.576 5.674 30 10 IKEE C=CCSc1nnc(Cc2ccc(OCC)cc2)n1/N=C/c1c(Cl)cccc1Cl 1874303101 IACJRZYQLQYFBL-ZVHZXABRSA-N 447.391 5.735 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2ccc(F)cc2)cc1C 1874358343 BWXJJCFIXCDUJZ-JVWAILMASA-N 430.552 5.799 30 10 IKEE CCCSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1ccc(Cl)cc1Cl 1874359243 WZYOFMURBKYYPH-ZMOGYAJESA-N 433.408 6.177 30 10 IKEE Clc1cccc(/C=N/n2c(SCc3ccccc3Cl)nnc2-c2cccs2)c1 1874423099 VAODCEMHXKUVMO-FSJBWODESA-N 445.400 6.488 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2ccc(F)cc2)cc1 1874427259 YZTZJQAYCQQBJH-CVKSISIWSA-N 445.523 5.006 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1/N=C/c1c(Cl)cccc1Cl 1874476324 LLLQLNGRBLBMBU-WYMPLXKRSA-N 437.371 6.241 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1cccc(OC)c1O 1874480201 MRUZIUNJFCRDET-YDZHTSKRSA-N 430.961 5.163 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(CC(C)C)n2/N=C/c2cccc(Cl)c2)o1 1874488493 ZGUXUPLEOPTYQO-FSJBWODESA-N 446.960 5.074 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(C(F)(F)F)cc1 1874528969 KULONMNNYBEOMY-KIBLKLHPSA-N 442.869 5.826 30 10 IKEE CCOC(=O)c1ccc(COc2ccccc2/C=C/C(=O)c2ccc3c(c2)CCCC3)o1 1874571770 FWTZZJAZMOODBN-FYWRMAATSA-N 430.500 5.810 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Br)cc(Br)c2OC)cc1 1874576022 SXAZVZBJMVBSCG-VMPITWQZSA-N 426.104 5.125 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 1874581774 FVVGDKUPKAHSBY-FPYGCLRLSA-N 441.310 6.240 30 10 IKEE COc1cc(C(=O)/C=C/c2cccc(OC)c2OCc2ccccc2)c(OC)cc1Cl 1874587341 IJRHQEZVJCCWMN-OUKQBFOZSA-N 438.907 5.841 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccccc2)c2ccccc12 1874592401 XIRAGUPAAYJEPW-BMRADRMJSA-N 437.495 5.762 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(OC)c2)cc1 1874608355 KBUQMBIEABDEPL-IZZDOVSWSA-N 443.326 6.486 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OCC(=O)Nc1c(C)cccc1C 1874618491 DECTVODCGBLNAB-ACCUITESSA-N 443.543 5.842 30 10 IKEE C=C(C)COc1ccc(/C=C/C(=O)c2ccc(OCCCCCCC)cc2)cc1[N+](=O)[O-] 1874624626 MRGMPOGJKURUIK-OQLLNIDSSA-N 437.536 6.795 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OCc2ccccc2F)c(Cl)c1 1874634865 XNIJJXWVNVQUOL-VQHVLOKHSA-N 445.317 6.925 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)ccc1OCc1ccc(C)cc1 1874635928 AHIPYGWCWSWSGD-FMIVXFBMSA-N 436.935 6.531 30 10 IKEE Cc1ccccc1COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] 1874638260 QOTPBXWMUXLFBD-UXBLZVDNSA-N 442.298 6.685 30 10 IKEE COc1ccc(CCC(=O)Oc2cc(/C=C/C(=O)c3ccccc3OC)ccc2OC)cc1 1874698848 QQUVCYMRQNAIIG-XNTDXEJSSA-N 446.499 5.147 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)C23CC4CC(CC(C4)C2)C3)c1)c1ccc2c(c1)OCCO2 1874705846 CNWDKGWUXDQERG-GQCTYLIASA-N 444.527 5.476 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccco3)c2)cc1Cl 1874711686 HJSUKCHYYQJWHZ-SOFGYWHQSA-N 442.851 5.074 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(F)c(C)c2)CSc2nnc(C3CCC3)n21 1874879740 YNFBVPMNILJRMV-OAQYLSRUSA-N 444.620 6.055 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](C)CSc2nnc(CCCOc3ccc(C)cc3)n21 1875066800 KRCOPVBZZKPPRR-FQEVSTJZSA-N 444.645 5.308 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc(OC)c3)cc2OC)cc1 1875104122 HOYGOVXEQXIVTM-RIYZIHGNSA-N 432.472 5.218 30 10 IKEE CC(C)C(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1Br 1875104768 NDNASBIXIWOQKT-XVNBXDOJSA-N 442.136 6.213 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)cc1C 1875107546 VUFOYCZCYSTIKK-WEVVVXLNSA-N 444.571 6.412 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)Cc1ccccc1 1875111847 QSIGJVRSTZVKGT-VAWYXSNFSA-N 441.310 6.046 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC(=O)COc1ccccc1 1875122190 HNNHHWUJDWVQKR-XYOKQWHBSA-N 438.426 5.244 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)[C@H]1C[C@@H]1c1ccccc1Cl 1875136324 JIKLVTDFFZTCFZ-XDDVZZINSA-N 446.930 6.262 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2OC)cc(OC)c1OC(=O)c1cccs1 1875144286 NWOGHOBZJVKNDS-ZHACJKMWSA-N 448.540 5.918 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)c1ccccc1C 1875171213 LLJPQFNWDRZHBH-ACCUITESSA-N 444.527 6.134 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2[N+](=O)[O-])cc1 1875175014 VCOHJFCQUAHQHM-AWNIVKPZSA-N 445.471 5.726 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)c2ccccc12 1875190953 VQVQJBZMBDTUHD-FOWTUZBSSA-N 442.898 6.617 30 10 IKEE C=CCn1c(C(=O)N(CCCC)CCCCCC)cc2c(NCc3cccnc3)ncnc21 1875228528 RZPFTKODVIRMHC-UHFFFAOYSA-N 448.615 5.447 30 10 IKEE CC(C)(C)OC(=O)N(CC1CC1)[C@@H](C#N)c1ccc(Cl)cc1I 1903737024 JLZLMAIVMLOPOY-HNNXBMFYSA-N 446.716 5.156 30 10 IKEE C[C@H](c1cccs1)N(Cc1ccccc1)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 1915408298 UCLVWRKXOBJYHV-HXUWFJFHSA-N 433.426 5.811 30 10 IKEE C=CCCCCCCCC[C@@H](O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2026314832 VVNZMWMEUZJKCQ-BJKOFHAPSA-N 432.649 5.679 30 10 IKEE CC(C)(C)OC(=O)N(CCN=[N+]=[N-])[C@@H](C#N)c1ccc(Br)c(Cl)c1F 2036853496 NHGFVOUADKWEMX-NSHDSACASA-N 432.681 5.354 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(C)sc(C)c1Br 2041201429 UFMDJPOOMNQEKJ-PBHICJAKSA-N 429.424 5.085 30 10 IKEE CCOc1cc(-c2nc3ccccc3n2CC#N)ccc1OCc1cccc2ccccc12 2060397811 SRUGYXLFKSRMIV-UHFFFAOYSA-N 433.511 6.358 30 10 IKEE CC(C)(C)OC(=O)NC[C@@](C#N)(c1ccccc1)N(C(=O)OC(C)(C)C)C1CCCCC1 2076789761 CSKFNBYEPIDINW-VWLOTQADSA-N 443.588 5.500 30 10 IKEE CCc1ccc([C@@H](n2nc(C3CC3)c(C#N)c2I)C2(C)CC2)cc1 2079070480 IACBJVHPIHBSJA-GOSISDBHSA-N 431.321 5.189 30 10 IKEE CC(C)[C@H](c1ccc(C(F)(F)F)cc1)n1nc(C(C)(C)C)c(C#N)c1Br 2079892651 CXVDYZSRZKHILC-OAHLLOKOSA-N 428.296 6.079 30 10 IKEE Cc1nn([C@H](c2ccc(C3CCC3)cc2)C2(C)CC2)c(I)c1C=NO 2079895751 YOUXVRBLXGPTRS-GOSISDBHSA-N 449.336 5.261 30 10 IKEE N#Cc1c(C2CCCC2)nn(Cc2ccc(F)cc2Br)c1Br 2080296745 AYVXXLGTXAPZII-UHFFFAOYSA-N 427.115 5.125 30 10 IKEE Cc1cccc(-c2c(C3CCCCC3)nn3c(Cl)c(C#N)cnc23)c1Br 2081423105 YDUOMUBILGRBHO-UHFFFAOYSA-N 429.749 6.040 30 10 IKEE CCC1(CC)CSC(=Nc2ccc(Cl)c(I)c2Cl)N1 2093950453 KRICOFFLCJBRBE-UHFFFAOYSA-N 429.154 5.481 30 10 IKEE N#Cc1cc(F)ccc1Nc1cc(Br)c(Br)c(Br)c1 2095446076 PWGRIAOZTROTGO-UHFFFAOYSA-N 448.915 5.728 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)CN(Cc2ccccc2)C2(CCCC2)C1 2100072539 WWMVUQNUVAHNDH-LMSSTIIKSA-N 448.651 5.077 30 10 IKEE C=CCN(CC(=C)Br)C(=O)CC[C@H](CCC)CCNC(=O)OC(C)(C)C 2124463200 NSTZCPLQJYJJEA-KRWDZBQOSA-N 431.415 5.021 30 10 IKEE C=C(Cl)C[C@@H](NCCC)c1cc(Br)c(OCC)c(Br)c1 2164215341 PTIYHEMZHPONTG-CQSZACIVSA-N 425.592 5.794 30 10 IKEE CC(C)(C)OC(=O)NCCC[C@H]1CCCCN1c1cc(Br)c(C#N)cc1F 2174807583 DGPQIDFOPWRFIU-OAHLLOKOSA-N 440.357 5.124 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@H](CSC(C)(C)C)NC(=O)OC(C)(C)C 2212713560 MLBMEJIWKXOKHM-NHCUHLMSSA-N 436.662 5.163 30 10 IKEE CCC#C[C@H](NCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2218458314 PEMASRFCSRPXDM-LSYYVWMOSA-N 429.560 5.270 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1sc(C)c(C)c1Br 2221829827 GGCJLYUWOYJAHO-GOEBONIOSA-N 431.440 5.638 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1CC[C@H](O)C#Cc1ccccc1Br 2235740172 NCTRUDYQEAMFDH-NLWGTHIKSA-N 436.390 5.025 30 10 IKEE Cc1cc(NC(=O)OC(C)(C)C)ccc1NC(=O)[C@H]1C[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2255844799 BWYMEKFQSDGXMX-IYBDPMFKSA-N 430.354 5.153 30 10 IKEE C=CCCC1([C@H](NCCC)c2occc2Br)CN(C(=O)OC(C)(C)C)C1 2266313644 WAKRBILJLRIHAW-QGZVFWFLSA-N 427.383 5.286 30 10 IKEE Cc1ccc(C(=O)N(Cc2ccccc2)c2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2267237485 PRZBIEZHCVFMEA-UHFFFAOYSA-N 427.353 5.141 30 10 IKEE C=CCC[C@@H](C)[C@@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2277122342 PMEOSMNJNGXQKY-RNWIMVQKSA-N 445.603 6.463 30 10 IKEE CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)C#CC1CCCCC1 2289610074 DSXUDFZQKVCJBB-LJQANCHMSA-N 434.374 5.038 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3cc(OCc4ccc(Cl)cc4)ccc3C1=O)cn2C 2296871229 FFLARXNIEYFXAT-UHFFFAOYSA-N 445.902 6.036 30 10 IKEE COc1ccc(C=C2C[C@@H]3[C@@H]4CCc5cc(OC(C)=O)ccc5[C@H]4CC[C@@]3(C)C2=O)cc1 2297109185 FJIRFWDJPBXNKB-IYUNARRTSA-N 430.544 5.739 30 10 IKEE O=C(O)c1cccc(N=C2SC(=Cc3ccccc3Cl)C(=O)N2C2CCCCC2)c1 2314548595 VWDOLOFXXSFBPK-UHFFFAOYSA-N 440.952 5.975 30 10 IKEE Fc1cccc(Cl)c1C=Nn1c(SCc2cccc3ccccc23)nnc1C1CC1 2320873888 DTZDAVNQQZUNDA-UHFFFAOYSA-N 436.943 6.276 30 10 IKEE CCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1N=Cc1ccc(C(C)(C)C)cc1 2320923384 KDFRZBIJBTZVGA-UHFFFAOYSA-N 449.624 5.368 30 10 IKEE Cc1cc(OCC(=O)OC(C)(C)C)cc2c1C(=O)C(=Cc1cccc(Br)c1)O2 2321734330 DCUDZHSEJACTKP-UHFFFAOYSA-N 445.309 5.094 30 10 IKEE Cc1cc(OCc2ccccc2F)cc2c1C(=O)C(=Cc1ccc(Br)cc1)O2 2321794233 QDQBJOVXKLHIEL-UHFFFAOYSA-N 439.280 6.092 30 10 IKEE CCCCC[C@H](CC)N1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(CC)cc1)C3=O 2322075907 YGMFNGPMPDIYSC-QFIPXVFZSA-N 433.592 6.684 30 10 IKEE COc1ccc(C=C2Oc3c(ccc4c3CN(C3CCCCCC3)CO4)C2=O)cc1OC 2322076008 DHUMMFBPEOYRLS-UHFFFAOYSA-N 435.520 5.195 30 10 IKEE Cc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2cc(C)ccc2C)C4)cc1 2322170920 NHZJFHHTDZCHAF-UHFFFAOYSA-N 425.528 5.889 30 10 IKEE CCCCOc1ccccc1C=Nn1c(S)nnc1CCCOc1ccccc1Cl 2322234851 LXCRVWDHXVTJMJ-UHFFFAOYSA-N 444.988 5.293 30 10 IKEE Cc1cccc(COc2ccc3ccccc3c2C=CC(=O)c2ccc(Cl)cc2Cl)c1 2322388100 MIHKJTPFGGOFHT-UHFFFAOYSA-N 447.361 7.930 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc(F)cc1F 2322501937 CGMOICGJKFKXTF-UHFFFAOYSA-N 435.898 5.542 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2c(OCc3cccc(C)c3)ccc3ccccc23)cc1 2322607420 ZHSYRYUWDKZPEY-UHFFFAOYSA-N 436.551 7.412 30 10 IKEE CCc1ccc(NC(=O)COc2ccccc2C=CC(=O)c2ccc(C(C)C)cc2)cc1 2322725026 QJSKDBSACUBDGD-UHFFFAOYSA-N 427.544 6.286 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)c4cc(OC)cc(OC)c4)cc(C)c3C2=O)cc1 2322807051 QKAUSXBHZJUIIS-UHFFFAOYSA-N 444.483 5.410 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OC(=O)c3cc4cc(Cl)ccc4o3)ccc2C1=O 2322845552 DENJIGNVCWJXKQ-UHFFFAOYSA-N 436.872 6.292 30 10 IKEE CCCN(CCC)C(=O)COc1ccccc1C=CC(=O)c1cc(Cl)ccc1Cl 2322999094 DWHITKLAOPSAGP-UHFFFAOYSA-N 434.363 5.917 30 10 IKEE Cc1cc(OC(=O)C=Cc2ccco2)cc2c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O2 2323169040 ZAWXAEGDYSGFBY-UHFFFAOYSA-N 441.266 6.130 30 10 IKEE Cc1cc(C)c(S(=O)(=O)NN=Cc2cc(Cl)c(OC(C)C)c(Cl)c2)c(C)c1 2323379717 HWSBZYVOKADTDP-UHFFFAOYSA-N 429.369 5.018 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCC(=O)OC)c(Br)c2)cc1 2323540108 VQBIBNWFEHZWDC-UHFFFAOYSA-N 431.326 5.240 30 10 IKEE Cc1c(OC(=O)CCOc2ccccc2)ccc2c1OC(=Cc1ccc(Cl)cc1)C2=O 2323686472 CUAOJXZVVWDUPB-UHFFFAOYSA-N 434.875 5.639 30 10 IKEE O=C(C=Cc1ccccc1)Oc1ccc2c(c1)OC(=Cc1ccccc1OC(F)F)C2=O 2323744791 FXWSNSVCQWOKJL-UHFFFAOYSA-N 434.394 5.523 30 10 IKEE CCOc1cc(C=NNc2nc(-c3ccccc3)c(C(=O)OC)s2)ccc1OC(C)C 2323854569 VPZUZSVDKVQKNM-UHFFFAOYSA-N 439.537 5.229 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OCC(=O)NC3CCCCC3)c(Cl)c2)ccc1F 2323969306 LRIGNHOVCKELQD-UHFFFAOYSA-N 429.919 5.511 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(F)cc3)cc2Cl)c(C)c1 2324183313 NNFVPQNKTBAVRN-UHFFFAOYSA-N 437.898 6.010 30 10 IKEE CCc1cccc(CC)c1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccco1)C2=O 2324381317 XIKPFEGGCSDJQY-KRWDZBQOSA-N 445.515 5.735 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc(O[C@H](C)C(=O)Nc3ccccc3C)c2C)C1=O 2324412753 YIQCAXAAKFARGH-GOSISDBHSA-N 443.499 5.334 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(Cl)c(Cl)c3)n2)cc1 2324504831 HMUFCOATFIILEA-KRWDZBQOSA-N 443.355 6.405 30 10 IKEE CC(C)Oc1ccc(C=C(C(=O)Nc2ccc(C#N)cc2[N+](=O)[O-])c2ccccc2)cc1 2325182326 HMVKFVVPKSFWSN-UHFFFAOYSA-N 427.460 5.433 30 10 IKEE Cc1ccc(CCOc2ccc3c(c2C)OC(=Cc2ccccc2Br)C3=O)cc1 2325372739 UMVFNCCMFQFLFZ-UHFFFAOYSA-N 449.344 6.304 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4c(C)cccc4C)c3C)C2=O)cc1 2325502794 UINGDZKTWGSBIV-UHFFFAOYSA-N 441.527 5.808 30 10 IKEE CCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1c(F)cccc1Cl 2325551137 UXCQPJGSYIGCPH-UHFFFAOYSA-N 433.896 5.106 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccc(C(F)(F)F)cc1 2325555858 KHECHWMLENSJTA-UHFFFAOYSA-N 432.515 6.041 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(N(C)C)cc1 2325593014 PKNRCTCUAHJGHB-UHFFFAOYSA-N 434.396 5.388 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(OC)c([N+](=O)[O-])c3)c2)cc1 2325706118 CIBKERMJXYENPW-UHFFFAOYSA-N 431.444 5.281 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2cccc(C=CC(=O)c3ccc(F)c(C)c3)c2)c1 2325742176 ZEEYZAUUCZLAIE-UHFFFAOYSA-N 432.491 6.103 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2OC)cc1OC(=O)c1ccccc1[N+](=O)[O-] 2325742940 VYGZMAOWLJGJSY-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OC(=O)C34CC5CC(CC(C5)C3)C4)c2)c1 2325744512 KVJJPLFLWNGOMS-UHFFFAOYSA-N 446.543 5.722 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1OC(=O)c1cccnc1 2325765054 YKVZFIZIZHWVML-UHFFFAOYSA-N 429.516 5.811 30 10 IKEE COc1ccc2ccccc2c1C=Nn1cnnc1SCc1ccc(C(C)(C)C)cc1 2326315328 RTIMEUCFEVLPPM-UHFFFAOYSA-N 430.577 5.912 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1c[nH]c2ccccc12 2326540939 DSOYWGJQXPADLM-UHFFFAOYSA-N 437.956 5.461 30 10 IKEE CCCCC1CCC(c2nnc(SCCO)n2N=Cc2cccc(OCCC)c2)CC1 2328210634 IJZZBUASPZDJDV-UHFFFAOYSA-N 444.645 5.498 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2N=Cc2cccc(C)c2)cc1 2329382890 UJHSTVORFIBAPM-UHFFFAOYSA-N 440.616 6.277 30 10 IKEE Oc1ccccc1C=Nn1c(Cc2ccc(F)cc2)nnc1SCc1cccc(F)c1 2329819966 GDORHOIIXBFKNI-UHFFFAOYSA-N 436.487 5.027 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2)n1N=Cc1ccc(Br)cc1 2329918115 DPPYDWOLYUMXCX-UHFFFAOYSA-N 443.370 5.170 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)C=Cc1ccc(OC)cc1)[C@H](C)CC 2330128891 UPWOSYJVLMWUHX-PXDATVDWSA-N 430.633 5.496 30 10 IKEE Clc1cccc(CSc2nnc(Cc3cccs3)n2N=Cc2ccncc2)c1 2330440258 FXHOPTIWPSOUOO-UHFFFAOYSA-N 425.970 5.153 30 10 IKEE COC(=O)c1ccc(C=Nn2c(SCCc3ccccc3)nnc2-c2cccs2)cc1 2330586330 CSMMZOLHDULRLL-UHFFFAOYSA-N 448.573 5.010 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(Cl)c1OC(=O)c1ccco1 2330651066 IDFGBXMBVVMXTB-UHFFFAOYSA-N 432.859 6.210 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Br)c(OC(=O)CC(C)C)c(OC)c2)c1 2330794161 NINIROIVABZSBU-UHFFFAOYSA-N 447.325 5.314 30 10 IKEE CC(C)(C)C(=O)Oc1ccc(C=CC(=O)c2cccc(Br)c2)cc1[N+](=O)[O-] 2331003853 WKVFSXZGEBXEJI-UHFFFAOYSA-N 432.270 5.205 30 10 IKEE C[C@H](Oc1ccc(Cl)cc1)C(=O)Oc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1 2331116104 KPLUMSFGCIMSEU-INIZCTEOSA-N 441.310 6.262 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2OC)c1 2331158027 AACDVSQJQWAPAH-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2OC)cc1 2331184671 OZVKUNUSEOLCMO-UHFFFAOYSA-N 444.527 5.918 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)COc1ccccc1 2331231464 JEDPMEUSZCNKRM-UHFFFAOYSA-N 430.500 5.583 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)c1ccc(N(C)C)cc1 2331256582 CDJMBQQMXVQRMH-UHFFFAOYSA-N 449.934 5.838 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc4cc(Cl)ccc4n3)cc2)cc1 2331259256 HDPPAOBJYLBHNK-UHFFFAOYSA-N 427.887 6.312 30 10 IKEE Cc1cccc(C=Nn2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2C(C)(C)C)c1 2331377445 ZZSXSNPQGOJNIV-UHFFFAOYSA-N 435.597 5.114 30 10 IKEE Cn1c(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc2ccccc21 2331412729 BQVSZACMHXFUSB-UHFFFAOYSA-N 437.539 6.591 30 10 IKEE CC(C)C(=O)Oc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1Br 2331417010 XWROPPQLEPMUJJ-UHFFFAOYSA-N 429.354 6.204 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(N(C)C)cc2)cc1 2331659533 UJWBIMARLDAAPS-UHFFFAOYSA-N 429.516 5.493 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(C)C)n2N=Cc2ccc(Cl)c(Cl)c2)c1 2331701603 ZKPPHDPFUNNRPX-UHFFFAOYSA-N 433.408 6.500 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C(=O)C#Cc2cccc(Br)c2)c(Cl)c1 2335972596 RQBBLLLZHQBGLB-UHFFFAOYSA-N 434.717 5.684 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Cl)cc(Br)c1F 2337109630 RTTXASRDYADOOL-NVXWUHKLSA-N 449.792 5.752 30 10 IKEE CC#CCN(C[C@H](NCCC)c1ccc(Br)c(Cl)c1)C(=O)OC(C)(C)C 2337900644 HUARDBCGFRDCGG-SFHVURJKSA-N 443.813 5.404 30 10 IKEE C=CCOc1c(Br)cc(CNCCc2ccc(Cl)cc2Cl)cc1OC 13723165 PVSHFGWKKFVDEX-UHFFFAOYSA-N 445.184 5.662 30 10 IKEE CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2O)cc1 21251413 LONUQOYJQIEJOO-VKGTZQKMSA-N 438.571 6.669 30 10 IKEE Cc1noc(NS(=O)(=O)c2ccc(N/C=C/C(=O)c3ccc4ccccc4c3)cc2)c1C 22239143 CHALKWXORWLTJY-BUHFOSPRSA-N 447.516 5.054 30 10 IKEE Cc1cc(C)c2nc(S[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCC4)cc(C)c2c1 32529556 LCIBOGZSFIFWAY-MRXNPFEDSA-N 435.618 6.091 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(Cl)cc2)c1 33416541 UYCXRBLANQJUCK-NRFANRHFSA-N 437.879 5.110 30 10 IKEE Cc1csc(/N=C2/S/C(=C/c3ccc(Br)o3)C(=O)N2c2ccccc2)n1 39865497 ZJHDXSNJWJNKNB-CPWICGBGSA-N 446.351 5.616 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(OCCC)c1 40076830 XHOGCKIKDQLKQT-OAQYLSRUSA-N 427.928 5.507 30 10 IKEE COc1cc(C#N)ccc1Oc1ccc(NCc2cc(=O)oc3ccc4ccccc4c23)cc1 72074657 CWUIOFIBCCHKPC-UHFFFAOYSA-N 448.478 6.231 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)CNc1ccc(OCC(C)C)cc1 100076009 LFAQCACZFBAQFE-UHFFFAOYSA-N 446.720 7.731 30 10 IKEE CCCCCCCOc1cccc(NC(=O)CNc2cccc(OCCOCC)c2)c1 100088824 VZMPIIOZCHPVDV-UHFFFAOYSA-N 428.573 5.502 30 10 IKEE CCCCCCCOc1ccc(NC(=O)CNc2cccc(C(=O)NC(C)C)c2)cc1 100099081 ABGZEZGVWSWJHQ-UHFFFAOYSA-N 425.573 5.225 30 10 IKEE CCCCCCCOc1c(Cl)cc(C(=O)Nc2cccc(Cl)c2Cl)cc1Cl 101138313 YQCAMGJNWXWPRC-UHFFFAOYSA-N 449.205 7.902 30 10 IKEE CCn1cc(C(=O)N2CCCS/C2=N/c2ccccc2C(C)C)c(=O)c2ccc(C)nc21 104996095 MRJVDFCBVPDBFM-IMVLJIQESA-N 448.592 5.115 30 10 IKEE COc1cc(/C=N/Nc2ccc(C)cc2)cc(Br)c1OCc1ccccc1 169877583 TZRJTSMZASSAGU-ZVHZXABRSA-N 425.326 5.791 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2cc(C)cc(C)c2)cc1 169922452 UQAGCQPRUUMLEG-DEOSSOPVSA-N 445.490 5.542 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2cc(C)cc(C)c2)c1 169930374 LSBOWIAONFWXRJ-OAQYLSRUSA-N 448.544 5.168 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1c1cccc(C)c1 169941522 HERXNVRMFMQFBX-XMMPIXPASA-N 438.483 5.268 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(C)cc2)=C(O)C(=O)N1c1ccc(C)cc1C 169945260 QHXDMUKHBKLPHN-XMMPIXPASA-N 427.500 5.403 30 10 IKEE CCCCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccccn2)cc1 169993546 QFQFTKUEYOARGU-RUZDIDTESA-N 440.543 5.824 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3cccc(OCC)c3)=C(O)C(=O)N2C2CCCC2)cc1 170033750 AOOLAXXGUAQNAJ-DEOSSOPVSA-N 449.547 5.395 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccccc2)c1 170036328 JKNAWBXJWINVTH-XMMPIXPASA-N 439.467 5.614 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccccc2)c1 170047019 CFJGCQWFEAXEBV-VWLOTQADSA-N 441.527 5.875 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2ccccc2)c1 170052273 MOCJPPOSXPNRKO-HSZRJFAPSA-N 431.919 6.048 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)cc1)c1cccc(Cl)c1 170059140 KXLHLGARONZIIQ-HXUWFJFHSA-N 439.298 5.167 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2cccc(O)c2)cc1 170081854 NDHAOIJOGLCLMD-VWLOTQADSA-N 446.462 5.200 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccccc2C)cc1 170089161 PLWCOJILAPCJMS-RUZDIDTESA-N 441.527 5.793 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(F)(F)F)cc3)[C@@H]2c2ccco2)cc1 170095424 GEQSFRIVLYRLHV-LJQANCHMSA-N 443.377 5.090 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2cccs2)c1 170156073 UBAUIWBGGLALIU-JOCHJYFZSA-N 433.529 5.547 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@@H]1c1cccc(OCC)c1 170218238 MZTTZGOMQSPMKX-FQEVSTJZSA-N 443.927 5.044 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@@H]1c1cccc(OCC)c1 170218565 GMOOEYXPFXGSAK-QFIPXVFZSA-N 441.499 5.002 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2)cc1Cl 170221730 NGPJLAFWUQHVBR-FQEVSTJZSA-N 439.920 5.189 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(F)ccc3OC)[C@H]2c2ccccc2)cc1 170224475 WZKLWRJFHONDOB-HSZRJFAPSA-N 431.463 5.180 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1c[nH]c2ccccc12 170255837 NTGCQSKHOIWAPC-NRFANRHFSA-N 434.879 5.556 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1c[nH]c2ccccc12 170256176 WDXONQYTGFUELG-HSZRJFAPSA-N 432.520 5.253 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Oc3ccccc3)cc2)[C@H]1c1ccco1)c1ccco1 170400934 XKCRJDZBSHVTIN-QFIPXVFZSA-N 427.412 5.448 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2cccc3ccccc23)ccc1O 170464742 OUYZVWARVATZLU-RUZDIDTESA-N 445.515 5.459 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1oc(C)c(C(C)=O)c1C#N 170500590 JXZQCTXHXZGAHU-UHFFFAOYSA-N 430.633 7.862 30 10 IKEE CC[C@@H](C)Oc1c(/C=C2\SC(=Nc3ccccc3)N(CCOC)C2=O)cccc1OC 252619143 LNIFIALKAWDNAG-GSMYORFVSA-N 440.565 5.123 30 10 IKEE Clc1ccc(-c2cc(-c3csc(NN=Cc4ccccc4Cl)n3)on2)c(Cl)c1 254340370 JNCSGCKTPVMWGT-UHFFFAOYSA-N 449.750 6.871 30 10 IKEE C(=Nc1nc2ccccc2n1CCN1CCCCC1)c1ccc(OCc2ccccc2)cc1 254468454 YSXFLTVKFMFXNH-UHFFFAOYSA-N 438.575 5.852 30 10 IKEE COc1ccc(CN2C(=O)/C(=C\c3c[nH]c4ccccc34)SC2=Nc2ccccc2)cc1 254519841 PXCYRMCBCGIPEI-AHLKSMJESA-N 439.540 5.981 30 10 IKEE CCCCCCCCCCCCCCCCN1C(=O)C(=NNC(N)=S)c2ccccc21 254698290 DGBSJNFGNBAQMY-UHFFFAOYSA-N 444.689 6.052 30 10 IKEE CCCCCC/C(C=Nn1c(O)nc2c([nH]c3ccc(F)cc32)c1=O)=C/c1ccccc1 254870360 VPINXZQWBLHRBQ-IUGZKCSNSA-N 432.499 5.610 30 10 IKEE N#Cc1ccc(Nc2cc(I)ccc2Br)cc1Cl 306045897 ZYPSRPSSZDHVLG-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE Cc1ccc([C@@H]2C(c3cccc(OCC(C)C)c3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526514376 AWINMEKGSVAAHJ-AREMUKBSSA-N 438.527 5.959 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccccc2OC)c1 526517332 VHTUPXYTHBLTNW-RUZDIDTESA-N 440.499 5.413 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccs2)cc1OCC 526521272 LQOHNXKEALHGBW-HSZRJFAPSA-N 446.528 5.474 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3cccc4ccccc34)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 526522013 UUBLRYLRPABJGD-RUZDIDTESA-N 447.450 5.677 30 10 IKEE Cc1nnc(SCc2ccccc2F)n1/N=C\c1ccccc1OCc1ccccc1 526802433 GUHSIZKNOZHLGV-YSMPRRRNSA-N 432.524 5.479 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccccc1C(=O)O 526807856 FGEPZQCXCMAJGP-QRVIBDJDSA-N 428.945 5.147 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccc(OC)c(OC)c1 526808197 KIJJEYSGVJGRSX-OYKKKHCWSA-N 444.988 5.466 30 10 IKEE Cc1ccc(CSc2nnc(C)n2/N=C\c2cc(Cl)c(O)c(Cl)c2O)c(C)c1 526810625 DEWLCOUUPCPJNI-UYOCIXKTSA-N 437.352 5.096 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1cccc(OCCC)c1 526819071 NVCIRNUGCOLXNB-ONUIUJJFSA-N 436.625 6.201 30 10 IKEE Cc1ccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2cc(C)ccc2C)cc1 526819544 IPKQFSVEARIFMD-VEILYXNESA-N 440.616 6.163 30 10 IKEE CCc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2cccc3cccnc23)cc1 586242132 MFSYEMXUDZJQFT-UHFFFAOYSA-N 427.529 5.064 30 10 IKEE CC(=Nn1c(-c2ccccc2F)csc1=Nc1cccc(C)c1C)c1ccccc1O 606348096 OGJMBJFQXFUEJO-UHFFFAOYSA-N 431.536 6.183 30 10 IKEE COc1cccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc4ccccc4n32)c1OC(F)F 606630900 VDPNVOAARASXEP-FQEVSTJZSA-N 439.462 5.304 30 10 IKEE Cc1cc(C23CC4CC(CC(C4)C2)C3)cc(C)c1/N=C/c1cc(Cl)cc(Cl)c1O 675030380 YIKPHGRMWCYPKV-XODNFHPESA-N 428.403 7.534 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)C2(C#N)CCN(C(=O)OCc3ccccc3)CC2)c1 698416187 BXLCDHLPVBMXDH-UHFFFAOYSA-N 449.551 5.432 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2cccc(I)c2)c1 698417553 JDVVFTJVAQMHDD-GOSISDBHSA-N 448.304 5.606 30 10 IKEE CCCCCCC[C@](C)(C(N)=O)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 698457035 PBGKSOBNXWHJIN-OAQYLSRUSA-N 441.410 5.795 30 10 IKEE CC(C)(C)OC(=O)N(C[C@H]1CCCO1)[C@@H](C#N)c1ccc(Cl)cc1Br 698472159 QTYYDCQPEWJDEP-CJNGLKHVSA-N 429.742 5.083 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1cccc(C(F)F)c1 698480720 BIOMBROWZDZYQR-KRWDZBQOSA-N 437.284 6.393 30 10 IKEE C=CC[C@H](C)[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCC 715791274 XREHEQMHWWRSFQ-GMAHTHKFSA-N 429.649 5.126 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1ccc(C)c(Br)c1C 719635572 VLJMAPDPSSOEKR-LJQANCHMSA-N 429.358 6.381 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1 724069031 HXNHZSLPIINBSC-UUOWRZLLSA-N 429.561 5.324 30 10 IKEE COc1ccc(Cl)c(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2cccc(C)c2)c1 762438670 JHNKDMMFFIMCRR-UHFFFAOYSA-O 436.944 5.140 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@H](CNC(=O)OC(C)(C)C)C(C)C)c1 829354861 TUFOTLAJQSXLTF-PMACEKPBSA-N 447.576 5.126 30 10 IKEE COc1ccc(Oc2ccc(C(F)(F)F)cc2N=Cc2cc([N+](=O)[O-])ccc2O)cc1 1084155527 IBRNPUOPRPYZLD-UHFFFAOYSA-N 432.354 5.871 30 10 IKEE CC(=O)C(=NNc1ccccc1[N+](=O)[O-])Sc1nc2ccccc2n1-c1ccccc1 1084280073 IQVXYCOKAKLCLY-UHFFFAOYSA-N 431.477 5.040 30 10 IKEE C[C@@]12CC[C@@]3(C)C(=O)/C(=C/c4cccnc4)C[C@]3(C)[C@@]1(C)CC[C@]1(C)C[C@H](O)CC[C@@]21C 1084337199 KJQCPCBMQUPVPN-FUEAMSSDSA-N 435.652 6.608 30 10 IKEE Cc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3cccs3)C(=Nc3ccccc3)S2)c(C)c1 1084540931 PNPMPSGIYQASHG-NRFANRHFSA-N 449.601 5.525 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)S/C1=N/c1ccc(C(=O)O)c(O)c1 1614234273 HYWUIKBRSGVGEG-NOCMUDSWSA-N 449.315 5.187 30 10 IKEE C=CCn1c(SCc2nnc(O)s2)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 1640602656 MDSWARHEGYBWBY-ZDUSSCGKSA-N 447.655 5.193 30 10 IKEE O=C1/C(=C/c2cccc(Cl)c2)SC(=Nc2ccncc2Cl)N1C1CCCCC1 1772735181 GYHRYSFLCQTHLR-OSZNWEDFSA-N 432.376 6.325 30 10 IKEE N#Cc1cccc(C(=O)Oc2ccc(CNC(=O)c3cc(Cl)cc(Cl)c3)cc2)c1 1859035411 GHJHGTDHJBQENV-UHFFFAOYSA-N 425.271 5.014 30 10 IKEE Cc1nc(-c2ccc(F)cc2)ccc1C(=O)Nc1c(C#N)cnn1-c1ccc2ccccc2n1 1859760113 BXVYEEZEOXVRTK-UHFFFAOYSA-N 448.461 5.054 30 10 IKEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)COc1ccc(C)cc1C(C)(C)C 1861628868 MOJDXUFKPAMEPF-UHFFFAOYSA-N 446.676 5.823 30 10 IKEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)CCCOc1ccc(Cl)cc1 1861713775 GPXAQMJIFICBPV-UHFFFAOYSA-N 439.040 5.651 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(F)cc1F 1862381323 XEPDOEXVPFYJDP-QGZVFWFLSA-N 426.246 5.260 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862393007 LDCHFMANZRWYCR-ZHRRBRCNSA-N 436.508 5.314 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 1862397220 OKQLVCZZLLLXBN-HOYKHHGWSA-N 449.591 5.286 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccncc2)cc1 1862445492 XCWQTIZGOVHHAF-JOCHJYFZSA-N 432.907 5.076 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862476686 DEONNCFSMOEZJP-XMMPIXPASA-N 435.564 5.512 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 1862477157 STWYTAYUSLRJHC-HSZRJFAPSA-N 447.918 5.306 30 10 IKEE CCN(CC)CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccc(C)c1 1862490341 TUHATVLUDWHHOA-VWLOTQADSA-N 448.607 5.312 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(OC)c(O)c1 1862505002 IBZUAQOGFNVVLF-JOCHJYFZSA-N 441.499 5.007 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1cccc(OCC)c1 1862535336 YQXLPCONCQZELD-DEOSSOPVSA-N 435.564 5.806 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(OC)cc1 1862536010 OYPPNPVJGZWCKU-RDGATRHJSA-N 449.591 6.195 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2ccccc2C)cc1 1862554446 CYQIWMJYLHOKAB-CJAUYULYSA-N 440.543 5.479 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(F)cc1F 1862596077 RLRWWMYJGNYSTP-HTAPYJJXSA-N 443.490 5.608 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)cc1 1862616567 ULAXKHSUYAAFCV-XMMPIXPASA-N 425.528 5.763 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2Cc2ccccc2)cc1 1862653517 QXTQHXLAKZQAAT-SANMLTNESA-N 449.506 5.627 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1c(Cl)cccc1Cl 1862659008 XYMBQKMXHCVMKS-NRFANRHFSA-N 440.326 6.135 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cc(C)ccc2C)cc1 1862672304 AGCPPGGVTMCFNG-DEOSSOPVSA-N 445.490 5.230 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1c(Cl)cccc1Cl)c1ccc(F)cc1 1862682060 FNEKPSQLENFRSY-FQEVSTJZSA-N 448.321 6.044 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(Cl)cc1Cl 1862706416 WBXSCYSUUNQIHF-FQEVSTJZSA-N 448.346 5.771 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccccc1Cl 1862725993 WOYCGXGECQCRIU-XDHUDOTRSA-N 445.946 6.384 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862737216 UJOSJGLXTAFIFE-HSZRJFAPSA-N 448.519 5.594 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)=C(O)C(=O)N1[C@H](C)c1ccccc1 1862737577 XVIYATZFJIUDQR-UZUQRXQVSA-N 442.471 5.243 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(C)cc(C)c2)=C(c2ccccc2[N+](=O)[O-])C1=O 1863231643 GEXSIRHFGPQXTM-UHFFFAOYSA-N 449.551 5.764 30 10 IKEE N#Cc1ccccc1NC1=C(c2ccccc2Cl)C(=O)N(Cc2cccc(Cl)c2)C1=O 1863452184 AXCVCDJMIGXSSG-UHFFFAOYSA-N 448.309 5.257 30 10 IKEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CC)[C@@H]1c1ccccc1Cl 1864214836 LQILALVXMZGOMX-FQEVSTJZSA-N 445.007 5.036 30 10 IKEE CCC[C@@H](NC(=O)C[C@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1ccc(C#N)cc1 1866777881 ZDVRWTJKTUYEPK-JWQCQUIFSA-N 443.522 5.143 30 10 IKEE Cc1ccc2c(c1)CCN(c1cc(Nc3cccc(C#N)c3)nc(C(C)C)n1)[C@@H]2CC(C)C 1868221378 KVJNYCRSARVAJA-RUZDIDTESA-N 439.607 6.674 30 10 IKEE Cc1ccccc1-c1nc(Nc2cccc(C#N)c2)cc(N2CC(C)(C)c3ccccc32)n1 1868292584 FUFWJDIBCCWRSW-UHFFFAOYSA-N 431.543 6.497 30 10 IKEE CCCCCCCCCCn1cc(OCCCOc2ccc(OC)cc2)c(=O)cc1C 1870097739 UKSJBSJNUDISMX-UHFFFAOYSA-N 429.601 6.154 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(CC)cc2)cn1CCC1=CCCCC1 1870466381 HVUYOZKAYNLKKB-UHFFFAOYSA-N 446.635 6.054 30 10 IKEE CCCCCCCOc1cn(C[C@@H]2CCCO2)c(CNc2ccc(C)c(F)c2)cc1=O 1870833424 IFNOIOOSBJIDQR-QFIPXVFZSA-N 430.564 5.436 30 10 IKEE CCCCCCCOc1cn(C[C@H]2CCCO2)c(CNc2ccc(C(C)C)cc2)cc1=O 1870833820 VDJDTXFTSCUFNM-RUZDIDTESA-N 440.628 6.112 30 10 IKEE CCCCCCCOc1cn(C[C@H](C)O)c(CNc2ccc(CCCC)cc2)cc1=O 1870836759 UFUQNNXAWPQEJQ-NRFANRHFSA-N 428.617 5.533 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)OC)c(=O)cc1CNc1ccc(C)cc1 1870874926 IGTOQPIDIISBOH-UHFFFAOYSA-N 442.600 5.461 30 10 IKEE C=CCn1cc(OCCCc2ccccc2)c(=O)cc1CNc1cc(Cl)cc(Cl)c1 1871137603 GQRFWFLJDGVEOL-UHFFFAOYSA-N 443.374 5.965 30 10 IKEE CCCCCCCCCCNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2Cl)n1 1871323397 KMYAKSQDSXOVCS-UHFFFAOYSA-N 439.003 6.458 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OCC(=O)Nc3c(C)cccc3C(C)C)ccc2C1=O 1871422514 OJALGWLRYPMEDY-XKZIYDEJSA-N 447.556 6.122 30 10 IKEE CCOc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1 1871452165 IANIWCYMZLDRBD-OYKKKHCWSA-N 443.499 5.336 30 10 IKEE C=CCN(CC=C)c1nc(=NCCc2ccc(C)cc2)nc(Nc2ccc(C(C)C)cc2)[nH]1 1871504979 OZJIIQNJCVDXTA-UHFFFAOYSA-N 442.611 5.302 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(F)cc1)[C@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1871874097 NMNWCRYTMCBPGO-JPYJTQIMSA-N 446.588 5.063 30 10 IKEE CC(C)c1ccc(O[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 1872759940 CZZMQXJKICVPGR-UUOWRZLLSA-N 444.600 6.456 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)Cc3ccc(Cl)cc3)n2)cc1C(C)C 1872779872 TUHZLPRGNPCITB-HXUWFJFHSA-N 438.980 6.323 30 10 IKEE N#Cc1ccccc1NC(=O)c1ccc2nc(Cc3ccc(Br)cc3)[nH]c2c1 1872804783 KKRZFPLTYSVIRL-UHFFFAOYSA-N 431.293 5.040 30 10 IKEE Cc1nc(SCc2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc2)c(C#N)c(C)c1C 1872895294 MZQYTCWTGUPFRS-UHFFFAOYSA-N 445.632 5.869 30 10 IKEE CCCCCCCCNC1=C(c2ccc(OC)cc2)C(=O)N([C@@H]2CCCC[C@H]2C)C1=O 1873143117 WENJIQMESKBMLY-DENIHFKCSA-N 426.601 5.304 30 10 IKEE N#Cc1nc([C@@H]2C[C@@H]2c2ccccc2)oc1N/N=C/c1cccc(OC(=O)c2ccco2)c1 1873470520 KBGCGPXOSPDZFP-WAELCUJMSA-N 438.443 5.076 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1ccc(OC)cc1 1874251918 BKPRXTXCJSQUBS-PCLIKHOPSA-N 436.581 5.157 30 10 IKEE CCCOc1ccccc1/C=N/n1c(COc2ccc(C)c(C)c2)nnc1SCCC 1874321587 ZHXYGAFDMCSESR-PCLIKHOPSA-N 438.597 5.647 30 10 IKEE Cc1ccccc1CSc1nnc(COCc2ccccc2)n1/N=C/c1sccc1C 1874353201 XBDJPVAXXZCRAI-AFUMVMLFSA-N 448.617 5.848 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SC)nnc2-c2ccccc2Cl)cc1OCC 1874365003 GKVHOCLTFGAGIW-BUVRLJJBSA-N 444.988 5.780 30 10 IKEE CCCSc1nnc(-c2ccccc2Cl)n1/N=C/c1cc(OC)c(OC)cc1OC 1874367423 BCZXJOWONPWZKV-YDZHTSKRSA-N 446.960 5.009 30 10 IKEE Cc1ccccc1/C=N/n1c(COc2ccccc2)nnc1SCCc1ccccc1 1874384237 GGUDRCCZWHTVPB-NLRVBDNBSA-N 428.561 5.383 30 10 IKEE COc1ccccc1/C=N/n1c(CCc2ccccc2)nnc1SCc1ccc(C)cc1 1874396713 OYQQLYDZQBCMRA-OVVQPSECSA-N 442.588 5.555 30 10 IKEE Fc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCCc2ccccc2)c(F)c1 1874403536 FSLHXHPUFAUWEA-MTDXEUNCSA-N 448.542 5.559 30 10 IKEE Fc1cccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccccc2F)c1 1874407691 KKGZSWQSZPIQKQ-CVKSISIWSA-N 426.536 5.854 30 10 IKEE C(=N/n1c(SCCc2ccccc2)nnc1-c1ccccc1)\c1cccc2ccccc12 1874428355 FQBZWBMGZPWPBX-VFCFBJKWSA-N 434.568 6.315 30 10 IKEE CCOc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccccc2Cl)c1 1874438913 ZNUPHXVYZZWAGE-MFKUBSTISA-N 443.016 6.093 30 10 IKEE Cc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SCC(=O)N[C@@H](C)c2ccccc2)c1 1874441004 DQUQGKOJMSARBT-JHKMYFMNSA-N 449.624 5.027 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2[C@H]2CCCO2)cc1 1874442947 PBFPGTSRENPASX-JAMLUQCHSA-N 440.544 5.232 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(SCc2ccccc2)nnc1C(F)(F)F 1874459985 GNUHRSMFQGAVMB-LGJNPRDNSA-N 442.466 5.633 30 10 IKEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2C(C)(C)C)cc1 1874483570 BVGPADNPLQFPGW-AFUMVMLFSA-N 435.597 5.114 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2Cl)nnc1C(C)(C)C 1874485990 WHPPKLRFJMMCQH-WYMPLXKRSA-N 433.408 6.365 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C2CC2)c(F)c1 1874521272 KNSHSEJUJRGOTN-PGGKNCGUSA-N 439.318 5.915 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(C)nnc2SCc2cccc(C)c2)cc1OC 1874530734 YHKVUWDIUHCOKY-PCLIKHOPSA-N 438.597 5.647 30 10 IKEE COc1cccc(/C=N/n2c(C)nnc2SCc2c(Cl)cccc2Cl)c1OC 1874533657 VCZLOSVAKYEKIX-LSHDLFTRSA-N 437.352 5.085 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2C)cc1 1874572526 RLCGYUGQGGRBOS-WYMLVPIESA-N 433.935 6.124 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Br)ccc2OCC(=O)OCC(C)C)cc1 1874579572 WCTYZUWVGVOVNI-CSKARUKUSA-N 431.326 5.232 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccccc1OCC(=O)Nc1ccc(C)c(C)c1 1874581560 SYSZXWOIBIALLJ-ACCUITESSA-N 429.516 5.534 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(F)c(C)c2)c1OCc1ccc(Cl)c(Cl)c1 1874581665 ZUYIVPUMARQIIG-DHZHZOJOSA-N 445.317 6.925 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)c1OCc1ccc([N+](=O)[O-])cc1 1874586168 ZAOGEUIYGHTDMT-JLHYYAGUSA-N 447.487 5.704 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCc3cccc4ccccc34)c(Cl)c2)cc1 1874604326 GWRPPXYFMLTBEK-FOWTUZBSSA-N 426.943 7.531 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)cc3C)c([N+](=O)[O-])c2)cc1 1874616429 ZGDYDOABTZUDCU-KPKJPENVSA-N 444.487 5.434 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OCc1cc(C)ccc1C 1874616715 OXQVUVAMWFZOKW-NTCAYCPXSA-N 426.556 6.824 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc(OC)c1OCc1cccc(C)c1 1874620567 IBIZVPXIAADWOH-VQHVLOKHSA-N 446.499 5.259 30 10 IKEE O=C(/C=C/c1ccc(OCc2c(F)cccc2Cl)c(Cl)c1)c1ccc2c(c1)OCO2 1874620958 BXWILTGRHSYPFU-QPJJXVBHSA-N 445.273 6.336 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OCc2cccc(C)c2)c(Cl)c1 1874633416 BDEAWRUUHFRSBZ-VQHVLOKHSA-N 441.354 7.094 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(OC)cc3)c2)cc1 1874695870 WKHLMFFKORBCNH-QGOAFFKASA-N 428.528 6.082 30 10 IKEE CC(C)c1ccccc1OCCCC(=O)Oc1cccc(/C=C/C(=O)c2ccccc2)c1 1874700093 AZRFGGZZEKRRQW-ISLYRVAYSA-N 428.528 6.471 30 10 IKEE Cc1ccc(C)c(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(Cl)cc3)c2)c1C 1874700927 STKUCSDAWBLCGT-NTEUORMPSA-N 434.919 6.146 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc([N+](=O)[O-])c1OC(=O)c1ccco1 1875103382 WTXRLBOZYJTXHW-FMIVXFBMSA-N 435.432 5.264 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cncc(C)c3)c(OCC)c2)cc1 1875107741 HDPSVFCBZOTBQP-GXDHUFHOSA-N 443.543 6.247 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Br)c1OC(=O)C(C)C 1875124571 RDONJEDHNSOVIU-BQYQJAHWSA-N 437.717 5.569 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OC(=O)CCc1ccccc1C 1875126889 GIYRLEFDSCZSLE-FYWRMAATSA-N 448.946 6.481 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(Cl)cc2)c(Br)c1)c1ccccc1 1875128158 QOCRPTNGYDYPSC-WUXMJOGZSA-N 441.708 6.218 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)COc1ccccc1CC 1875128311 CATTVRGFVMJHON-JQIJEIRASA-N 430.500 5.528 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)[C@H]1CCCO1 1875134894 PMZZIDUHKVLMCZ-ZQAUEJBPSA-N 428.912 5.336 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)c1ccc(OC)cc1 1875158634 GHWZEPVZOJGHCL-GIDUJCDVSA-N 446.474 5.687 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccnc3)cc2)cc1 1875159282 LJLNJIVRHMEWQD-WOJGMQOQSA-N 443.543 6.546 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc1OCC 1875160690 YXGXAACAXUGPCT-SDNWHVSQSA-N 438.564 6.383 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)Oc3ccc(Cl)cc3)cc2)cc1C 1875175853 JYDJUYKMKSOGTR-ZSTKBLHXSA-N 434.919 6.226 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)c(C)c1 1875182455 DZVUZOBHLRLJNK-RMKNXTFCSA-N 442.599 7.020 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1[N+](=O)[O-])c1cccs1 1875189496 SUFUUOFMZFTLCB-XVNBXDOJSA-N 448.283 6.078 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)ccc1OC(=O)[C@@H]1CCCO1 1875192615 UIOVCPLTORZKLX-DFPJYHPSSA-N 446.499 5.228 30 10 IKEE N#C[C@]1([C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C[C@H]2CC[C@H]1C2 1875689812 MKMYEDQDNCTYRY-OMUKXZKBSA-N 439.555 6.208 30 10 IKEE N#Cc1ccc(NC(=O)NCCSc2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)cc1 1891900462 LBRVHLRAHMLVPY-UHFFFAOYSA-N 446.963 6.274 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCCC)c2c(Cl)cccc2Br)C1 1892692062 SPKIMNLCNKVYBT-QGZVFWFLSA-N 443.813 5.757 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCOC[C@@H]1C(F)(F)F 1916556442 XIZXLPCINCRRAR-WMLDXEAASA-N 449.267 5.052 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@]1(C#N)Cc1c(Br)cccc1Br 1937831938 CSJSNIRSOKOZCV-QGZVFWFLSA-N 444.167 5.047 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@H](C#N)[C@H]1CCCCN1C(=O)OC(C)(C)C 1944737065 UJMMOPLTASWYAM-WOJBJXKFSA-N 435.609 5.628 30 10 IKEE C=C([C@@H](NCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)C(C)(C)C 1947453956 QNYSXQINVNNGDN-JOCHJYFZSA-N 429.649 5.126 30 10 IKEE C[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)CCN1Cc1ccccc1 1949366814 NABPFSPYKXXWDQ-CLOONOSVSA-N 439.987 6.028 30 10 IKEE C[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)CCN1Cc1ccccc1 1949368017 WRVZDNMEBHJGTQ-KBMIEXCESA-N 439.987 6.028 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1nc(Cl)cs1 2020250934 AHCCGQGEYRZEPI-GFCCVEGCSA-N 428.739 5.565 30 10 IKEE C=CCCCCCCCCC[C@H](CCN(Cc1ccccc1)C(=O)OC(C)(C)C)NC 2026312554 INEPDFKNSQJIEN-RUZDIDTESA-N 430.677 7.099 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCC[C@@H]1NC(=O)OC(C)(C)C 2031458882 OKVFLVJKSICLGS-CYFREDJKSA-N 445.560 5.166 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(Cl)cccc1Br 2041205137 JGXWGWFLCQLUAG-NVXWUHKLSA-N 429.786 5.060 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2070603598 VAZBMMVZYQJZDJ-OSPHWJPCSA-N 447.551 5.497 30 10 IKEE CC(C)c1nn([C@@H](C)c2ccc(C(F)(F)F)cc2)c(I)c1C#N 2079849328 VPMLOQBZHNPXRL-JTQLQIEISA-N 433.215 5.111 30 10 IKEE CC1([C@H](c2ccc(C(F)(F)F)c(F)c2)n2nc(C(F)(F)F)c(CN)c2Cl)CC1 2079849333 VRDYFBHTVNCOFV-ZDUSSCGKSA-N 429.767 5.561 30 10 IKEE Cc1ccc([C@@H](C2CCC2)n2nc(C3(C)CC3)c(C=NO)c2Br)c(F)c1F 2079936202 ZVIGDXXTHWLHAA-QGZVFWFLSA-N 438.316 5.481 30 10 IKEE COc1ccc([C@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C2(C)CC2)cc1F 2080113678 PEEMFXKWNFBCDH-KRWDZBQOSA-N 436.325 5.042 30 10 IKEE CC(C)c1c(C(F)(F)F)nn2c(Cl)cc(-c3ccc(F)c(C(F)(F)F)c3)nc12 2081322185 JIIVYOFTNWQRCV-UHFFFAOYSA-N 425.735 6.350 30 10 IKEE CCOC(=O)c1sc([C@@H](C#N)C(=O)CSCc2ccccc2)nc1-c1ccccc1 2084270752 LGNVEAXFQADTFS-SFHVURJKSA-N 436.558 5.096 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CC[C@@H]2[C@H](C1)C2(F)F 2090784344 HAUXFPDMLDPSAM-RVKKMQEKSA-N 427.289 5.518 30 10 IKEE CC[C@@H]1C[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)C[C@@](C#N)(NC2CC2)C1 2118767343 RZKHUQPWAMSREE-USOMCTOXSA-N 444.667 5.214 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)[C@@H]1C[C@@H]1C1CCCCC1 2200284841 XRKQTACOADNWGV-MBOZVWFJSA-N 433.390 6.299 30 10 IKEE C=CCCCCCCCC[C@@H](O)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2207406451 YOKOUMYGTSWWQG-HXUWFJFHSA-N 440.422 7.136 30 10 IKEE Cc1sc([C@H](C#N)N(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)c(C)c1Br 2219348172 BNKZPXMLHMAJHS-KBPBESRZSA-N 429.380 5.108 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)cc1Cl 2230379725 CZZBGMNVMFGZSV-QZTJIDSGSA-N 445.829 6.003 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@H](C#N)c1c(F)ccc(Br)c1F 2239732521 RDOAOPRYVWKXFF-OAHLLOKOSA-N 441.247 5.873 30 10 IKEE CC[C@@H](C)N(Cc1ccccc1)C(=O)c1cc(Cl)c(C)c(B2OC(C)(C)C(C)(C)O2)c1 2255651679 YZNVMPOAZYERMB-QGZVFWFLSA-N 441.808 5.389 30 10 IKEE O[C@H](C#Cc1cccc(Br)c1)c1cc(Br)cc(Br)c1 2278802523 QUOWTXNTFKKNIM-OAHLLOKOSA-N 444.948 5.059 30 10 IKEE CN[C@@H](C#Cc1ccc(Br)cc1)c1cccc(N(C)C(=O)OC(C)(C)C)c1 2296297093 VPIWABGXVUNGPX-FQEVSTJZSA-N 429.358 5.133 30 10 IKEE O=C1C(=Cc2cccc(Br)c2)Oc2cc(OCc3ccccc3F)ccc21 2296844773 FMEXQUIIJMAMJY-UHFFFAOYSA-N 425.253 5.783 30 10 IKEE COc1cc(C=C2SC(=Nc3ccc(Cl)cc3Cl)NC2=O)cc(Cl)c1O 2297104395 QTTXEKJTTJHPLC-UHFFFAOYSA-N 429.712 5.253 30 10 IKEE C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1CCC2=NN=Cc1ccccc1C(F)(F)F 2297480196 FHIHDASURXFVSB-KNEUDTNOSA-N 444.585 7.913 30 10 IKEE C=C(C)COc1ccccc1[C@@H]1CC(=O)Oc2ccc3c(c21)OC(=Cc1cccnc1)C3=O 2297596113 OITGNENIPHFEMQ-FQEVSTJZSA-N 439.467 5.094 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)C=Cc2ccc(C(C)(C)C)cc2)nc2ccccc12 2318349967 GFGYXQAKIXRUOY-UHFFFAOYSA-N 435.531 5.550 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc(OCc3c(Cl)cccc3Cl)c2C)C1=O 2321774161 QLWSPZLTHUUKAM-UHFFFAOYSA-N 441.310 6.506 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCc4ccc(Cl)c(Cl)c4)cc(C)c3C2=O)cc1 2321787456 NGELLYYHBMHOAS-UHFFFAOYSA-N 425.311 6.805 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccccc2OCC(=O)N[C@@H](C)c2ccccc2)cc1 2322391336 VVKKIYYKLGJMEP-QFIPXVFZSA-N 441.571 6.182 30 10 IKEE Cc1c(OC(=O)c2ccc(Br)cc2)ccc2c1OC(=Cc1ccco1)C2=O 2322708376 GIFSABJDTHYDHT-UHFFFAOYSA-N 425.234 5.186 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccccc2C=CC(=O)c2cccc3ccccc23)c1 2322714749 LMCKCNJFHFPIFK-UHFFFAOYSA-N 435.523 6.370 30 10 IKEE Cc1cc(OC(=O)c2ccccc2Cl)cc2c1C(=O)C(=Cc1ccccc1Cl)O2 2322724734 LSODEXDXCINOKB-UHFFFAOYSA-N 425.267 6.137 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(F)cc2)c1OCC(=O)Nc1cc(C)cc(C)c1 2322748914 UBEFQQIKAXBSDA-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OCc1c(F)cccc1Cl 2323168606 MGELNWZCNMCNKO-UHFFFAOYSA-N 428.862 6.410 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4ccc(Cl)c(Cl)c4)cc(C)c3C2=O)cc1 2323259373 VJVZLJZJHDFRPV-UHFFFAOYSA-N 439.294 6.446 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCc3ccc(Cl)cc3)c2)c(OC)c1 2323282933 LRYCIGAVMPMIPI-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cccc(OCc2ccccc2Cl)c1 2323289147 BKYOZFQXBCKMPH-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)C[C@H]2CCCC[C@@H]2N(C(=O)OC(C)(C)C)C1 2323290552 KOJJPRVPSZDKQK-TVZXLZGTSA-N 442.600 5.088 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OC(=O)C=Cc3cccc([N+](=O)[O-])c3)ccc2C1=O 2323433356 CXUVCIOIQVNOFN-UHFFFAOYSA-N 433.441 5.200 30 10 IKEE Cc1c(OC(=O)C=Cc2cccc([N+](=O)[O-])c2)ccc2c1OC(=Cc1cccs1)C2=O 2323435533 ILKDZVVULAHRCF-UHFFFAOYSA-N 433.441 5.200 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1 2323464953 JWWPBGLUHCZWIZ-UHFFFAOYSA-N 433.935 6.124 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(OC)c1OCc1cccc(C)c1 2323800670 LAPWOQSCBDRUQM-UHFFFAOYSA-N 432.947 6.861 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(=O)c4cccc(OC(C)C)c4)ccc3C2=O)c1 2323808704 ORAVUZZHYOKMMN-UHFFFAOYSA-N 430.456 5.318 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OCCc1ccccc1 2323866039 KRRBGWUPXHLGDY-UHFFFAOYSA-N 426.556 6.558 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OCC(=O)Nc1ccc(F)cc1 2323985680 WQBLSLJCVWFLIL-UHFFFAOYSA-N 437.442 5.195 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3c(CN4CCC(C)CC4)c(O)cc(C)c3C1=O)cn2C 2324151886 AHSBPDZIJYQEEW-UHFFFAOYSA-N 446.547 5.049 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc(OC)c1OCc1ccccc1 2324571091 CNVMWIUMFULXRD-UHFFFAOYSA-N 444.571 6.785 30 10 IKEE CCCOc1c(Br)cc(C=CC(=O)c2cc(C)c(OC)cc2C)cc1OC 2324644299 QTEYRCCIDNTTGJ-UHFFFAOYSA-N 433.342 5.768 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2Cl)C3=O)c(C)c1 2324890743 AMLCWFXSJIHHNI-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cccc(OCC)c1 2325532479 GOAVZOORCDJFTG-UHFFFAOYSA-N 428.989 5.847 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(OC)c(O)c1 2325532679 KVRNZEXSEZDLPI-UHFFFAOYSA-N 430.961 5.163 30 10 IKEE CC(=O)c1ccccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1sccc1C)C2=O 2325571838 BLFWNXPZENVKKU-UHFFFAOYSA-N 447.512 5.201 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)[C@@H](C)c3ccccc3)c2)cc1F 2325748176 CEGBPYIRPCEENO-KRWDZBQOSA-N 434.463 5.448 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OC(=O)c1ccccc1[N+](=O)[O-] 2325764416 PANZBQFORWPHSW-UHFFFAOYSA-N 445.471 5.644 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1ccc(OC(C)C)cc1 2326446237 JACLVQFRGPQHRH-UHFFFAOYSA-N 436.625 6.199 30 10 IKEE Cc1cc(OCc2nnc(SCc3ccccc3)n2N=Cc2ccccc2)ccc1Cl 2326525935 CKFOAAINCCBZDG-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE C=CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1cccc(Cl)c1 2326927021 UECBQKAQSZHZHI-UHFFFAOYSA-N 427.017 5.851 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1ccc(OCC)cc1 2328945487 KBXJMZZOIQDUNI-UHFFFAOYSA-N 434.609 5.629 30 10 IKEE Cc1ccc(C=Nn2c(COc3ccccc3)nnc2SCc2ccccc2C)cc1 2329879904 ULRIKZOCKSSFBE-UHFFFAOYSA-N 428.561 5.648 30 10 IKEE CCc1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2[C@H](C)c2ccccc2)cc1 2330050508 HHPRKJJKYHHQSJ-OAQYLSRUSA-N 440.616 6.475 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2Cl)n1N=Cc1ccccn1 2330110404 LBQMHOWDRYSUBK-KRWDZBQOSA-N 433.968 5.653 30 10 IKEE C(=Nn1c(CC2CCCCC2)nnc1SCc1cccc2ccccc12)c1cccnc1 2330280544 YVFGSQSEOCROBS-UHFFFAOYSA-N 441.604 6.124 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3Cl)c(Cl)c2)cc1 2330743813 XCQPJKJWBKCWAW-UHFFFAOYSA-N 425.311 6.671 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(C3CCCC3)n2N=Cc2cccc(F)c2)o1 2331065716 SHMJUFPDMZRXPZ-UHFFFAOYSA-N 442.516 5.019 30 10 IKEE Fc1ccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C(F)(F)F)cc1 2331145087 XPBZGUKWSCEOKE-UHFFFAOYSA-N 449.260 5.917 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2Cl)cc1[N+](=O)[O-] 2331167662 GDDPCWIZDKOGPC-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE COCCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1cccs1 2331307114 HKUXNKMEOIFNMS-UHFFFAOYSA-N 427.382 5.010 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(F)c2)cc(Cl)c1OC(=O)C(C)(C)C 2331459625 CCBULPHUGNNIHE-UHFFFAOYSA-N 434.891 5.734 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1cc(C)cc(C)c1 2331504221 YMTCLCYQFGYSGN-UHFFFAOYSA-N 442.555 6.941 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CCC2)cc1OC 2331525592 DQDPCSKOFOKDNQ-UHFFFAOYSA-N 442.972 5.391 30 10 IKEE COCc1nnc(SCc2ccc(F)cc2)n1N=Cc1c(Cl)cccc1Cl 2331555172 GFYDNBXGDFFVPW-UHFFFAOYSA-N 425.316 5.045 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccncc3)c(Cl)c2)cc1C(C)C 2331575218 YRRAXXGHAZDBCR-UHFFFAOYSA-N 449.934 6.291 30 10 IKEE CCCCCOc1ccc(C=Nn2c(COC)nnc2SCCc2ccccc2)cc1 2331579730 DFQVPGPTZHIKES-UHFFFAOYSA-N 438.597 5.211 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2OC)ccc1OC(=O)CC(C)(C)C 2331727116 DULQFEWNNCPTCZ-UHFFFAOYSA-N 426.509 5.340 30 10 IKEE CCN[C@@H](C#CC1(OC)CCC1)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2362782301 VDTJPSJPYCEAGS-SFHVURJKSA-N 437.378 5.019 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O)c1ccc(F)cc1 2367929 HIFFCMKCCFYECZ-JAIQZWGSSA-N 439.236 5.424 30 10 IKEE Cc1ccc(/N=C2\S[C@@H](CC(=O)c3ccc(C)c(C)c3)C(=O)N2c2ccc(C)cc2)cc1 15055123 UHQXDRQJZQQMKP-DEVZUPFRSA-N 442.584 6.329 30 10 IKEE C=C(C)COc1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 20375361 INJJEHKTXSBKSU-UHFFFAOYSA-N 426.560 5.189 30 10 IKEE CCCn1cc(CN/C(=N/C(=O)c2ccccc2C)Nc2cc(Cl)ccc2C)c(C)n1 32972789 QJSKDSBDUVQASP-UHFFFAOYSA-N 437.975 5.270 30 10 IKEE COc1ccc(COc2ccc3c(c2)O/C(=C\c2ccccc2Br)C3=O)cc1 33514122 GEDTTWDNJQCZRS-UUYOSTAYSA-N 437.289 5.653 30 10 IKEE COc1cc(C(=O)Oc2cccc(/C=C\C(=O)c3ccc(C)cc3)c2)cc(OC)c1OC 34954340 PZLPPAAWISQIFV-RAXLEYEMSA-N 432.472 5.136 30 10 IKEE C=Cc1ccc(COc2cc(C)c3c(c2)O/C(=C\c2cn(CC)c4ccccc24)C3=O)cc1 41504716 SCJPAZBXVLBPTA-DICXZTSXSA-N 435.523 6.808 30 10 IKEE CCCCCCCCCCCCCC(CCCCCCCCCCCCC)CC(=O)O 59111162 NVVMUWWSJZPFJE-UHFFFAOYSA-N 438.781 10.480 30 10 IKEE C=CCn1c(CCc2ccccc2)nnc1SCCC(=O)Nc1cccc2ccccc12 59263885 PKEIHFBLCONIQT-UHFFFAOYSA-N 442.588 5.523 30 10 IKEE C=C(C)COc1cccc(NC(=O)CNc2ccc(NC(=O)CCc3ccccc3)cc2)c1 66093678 NMZGXVSEVMONDM-UHFFFAOYSA-N 443.547 5.263 30 10 IKEE CCOc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(C)c(Cl)c3)CC(=O)N2CC)cc1 100242593 OIMHTPWAOIIFDX-IPQBESIJSA-N 445.972 5.027 30 10 IKEE CCCCCCCCCCCCn1c([C@H](C)NC(=O)C(CC)CC)nc2ccccc21 102119968 MHQGFHCBCJOAPQ-QFIPXVFZSA-N 427.677 7.571 30 10 IKEE CN1/C(=C2\S/C(=N/Cc3ccccc3)N(c3ccc(F)cc3)C2=O)Sc2ccccc21 102144180 RFEVNYPIKBENJP-INDMGZDYSA-N 447.560 5.873 30 10 IKEE CCCCCCCCCCn1c([C@@H]2CC(=O)N(c3ccc(C)cc3C)C2)nc2ccccc21 102200465 LIDAVXTVDCNCON-XMMPIXPASA-N 445.651 7.314 30 10 IKEE Cc1cc(N2C(=O)C(=O)/C(=C(\O)c3cc4ccccc4o3)[C@H]2c2ccc(Cl)cc2)no1 102912725 ITVKISHVGHKKJA-GOBJLOIFSA-N 434.835 5.009 30 10 IKEE C/N=C1/S/C(=C/c2cc(Cl)ccc2OCc2c(F)cccc2Cl)C(=O)N1C 103781976 NOGLDMOKBGVJSZ-LJCITQSSSA-N 425.312 5.243 30 10 IKEE CC(C)(C)C(=O)/C=C(O)/C(=C\C(=O)C(C)(C)C)NN=C(c1ccccc1)c1ccccc1 108712823 NFTNSKMJKCHGQV-CAFBOWOJSA-N 432.564 5.585 30 10 IKEE CCCCCCCN(CCCO)C(=O)c1cc(Br)c(Br)s1 128456164 OEXOCGFFPTXASZ-UHFFFAOYSA-N 441.229 5.068 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2c2ccc(C)cc2)c1 169934838 USQBOVOFXYPONS-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccc(O)cc2)c1 169964075 BRCZFEXEMSHJNB-QFIPXVFZSA-N 435.426 5.070 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(OC(C)C)cc1 169978837 ZLIDLQPEAONXAB-JOCHJYFZSA-N 441.955 5.896 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccs1 169984650 NSEQGTMCDNHIGY-NRFANRHFSA-N 449.915 6.239 30 10 IKEE CCCCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(CC)cc3)[C@H]2c2ccccn2)cc1 169993522 QMFSCOACVOBYFP-RUZDIDTESA-N 440.543 5.770 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@@H]2c2ccncc2)c(C)c1 170022004 BVMQHKSVEJLWGQ-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2ccccc2)cc1 170054396 MELXPDOORQZHEE-DEOSSOPVSA-N 427.500 5.091 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2cccc(O)c2)cc1 170081968 CSTMXIDTWRVKBS-RUZDIDTESA-N 446.462 5.200 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccc(C)o2)c1 170102840 LXKAYCNKRNBQIU-HSZRJFAPSA-N 433.479 5.165 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccc(C)c2)cc1C 170141805 MKHSEDRKCKYNNO-VWLOTQADSA-N 441.527 5.875 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2)[C@H]1c1ccc(OC(C)C)cc1 170152027 KZXMROPMOFRYKQ-HSZRJFAPSA-N 437.536 5.251 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccncc2)cc1Cl 170205497 DKDHERPBLRYUSX-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2CCC)cc1 170215910 CTUYZRAALZPMEL-HSZRJFAPSA-N 432.520 5.335 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccccc2)cc1C 170225190 YIMQDEUQGUEKKU-AREMUKBSSA-N 433.507 6.240 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(F)cc2)c1 170238158 XYHHGXYBDUEOMH-JOCHJYFZSA-N 435.426 5.146 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccccc1C 170271010 CXOCXURZEZJREG-QFIPXVFZSA-N 435.426 5.065 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccco1 170284439 XPQZPONSPVWNTM-RCDICMHDSA-N 449.890 5.348 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(C)o2)c1 170300503 UAAKAADXROHAQD-WAIKUNEKSA-N 429.472 5.003 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccc(C)o2)c1 170304492 VKZFYOSQLVKNSE-XMMPIXPASA-N 439.467 5.538 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc(OCC(C)C)cc2)=C(O)C(=O)N1c1ccccc1 170314936 CVNPBHUNKBPHCI-QFIPXVFZSA-N 447.556 5.874 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2sccc2C)cc1 170315232 DLHPFUVDTYZHEL-QFIPXVFZSA-N 447.556 5.937 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2sccc2C)cc1C 170317673 QEVLSUGQNAYSSR-OAQYLSRUSA-N 439.577 5.593 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc(C)c2)cc1Cl 170343237 BGTRQCGHMSCCSO-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE CC1(C)OB(c2cccc(COc3cc(F)c(Cl)cc3Br)c2)OC1(C)C 380438980 NLGKKZUHGLIWOU-UHFFFAOYSA-N 441.533 5.120 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1c(F)ccc(Br)c1F)NCC 407324254 DPKHOKITEKVDQI-IAGOWNOFSA-N 447.364 5.107 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)ccc(Br)c1F 407415966 MYKRGZWCSWVGOW-CRAIPNDOSA-N 447.364 5.628 30 10 IKEE C=CCN(C[C@@H](Cc1cc(Cl)ccc1Br)NCC)C(=O)OC(C)(C)C 407608770 WGKNCRZXVVRIBN-MRXNPFEDSA-N 431.802 5.046 30 10 IKEE CC(C)c1ccc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526488194 KTXIOCULRGCKRP-DEOSSOPVSA-N 428.919 6.392 30 10 IKEE CCOc1ccc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2ccccc2C#N)cc1Cl 526606708 NQEGITHLYIDKAM-OAQYLSRUSA-N 436.920 5.729 30 10 IKEE CCCOc1ccc(/C=N\n2c(CCC)nnc2SCc2ccc(C)cc2)cc1Cl 526804190 HEATVOPCPNCGGL-MYYYXRDXSA-N 443.016 6.156 30 10 IKEE CCOc1cc(/C=N\n2c(C)nnc2SCc2cccc(Cl)c2)ccc1OC(C)C 526811968 FDNOZMMRYZWKGO-CFRMEGHHSA-N 444.988 5.600 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1cccc(Cl)c1Cl 526816932 QEWYEZFLPCUESX-KSEXSDGBSA-N 439.799 6.365 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(NC(=O)N[C@@H]3CCCC[C@H]3C)CC2)c1 586102975 ZHGHHUWWEODCMD-AUSIDOKSSA-N 440.632 5.007 30 10 IKEE Cc1cc(Cl)ccc1N(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)cc1 586260792 RUTBBAICWJVBIV-UHFFFAOYSA-N 431.344 5.569 30 10 IKEE COc1ccc(/C=N/N=C2\CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)cc1OC 606629849 KJCBMTPITIADGL-ZUVXYQLQSA-N 432.564 5.741 30 10 IKEE CCCCCCCC[C@@H](N)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 693646466 BMCJDJUOALHGDJ-HSZRJFAPSA-N 431.665 5.624 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1cccc(C(F)F)c1 698452155 AFSZTBFYMPETJT-QGZVFWFLSA-N 437.284 6.393 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@@](C)(C#N)c1ccc(Br)cc1F 698951445 BSOSGAMIFGYFMF-KRWDZBQOSA-N 426.290 5.264 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@@H](C#N)c1cscc1Br 698958467 QPJJUKKMCBGKNS-HNNXBMFYSA-N 427.751 6.170 30 10 IKEE COc1cc(/C=C2\SC(=Nc3ccc(F)cc3)NC2=O)ccc1OCc1ccc(C)cc1 1083913663 OECUDKIGOMEQQM-UCQKPKSFSA-N 448.519 5.613 30 10 IKEE O=C(O)c1cc(Cl)ccc1-c1ccc(C=Nc2c(-c3ccco3)nc3ccccn23)o1 1084571661 HLCIHLXSOFTACF-UHFFFAOYSA-N 431.835 5.957 30 10 IKEE CC(=O)c1cccc(N/C(=N/CC(C)(C)C)NC2CCC(CC3CCC(N)CC3)CC2)c1 1088735425 ORLGFAXKUZRZBE-UHFFFAOYSA-N 440.676 5.759 30 10 IKEE CCOc1cc(/C=C2\SC(=Nc3nccs3)N(C3CCCCC3)C2=O)ccc1O 1772737124 WLMBNVKMZNHPSR-FQGQUVFJSA-N 429.567 5.184 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3c(Cl)cccc3Cl)o2)SC1=Nc1nccs1 1772737552 PEFPPLIRZQMKOQ-CLGIPHTBSA-N 436.345 5.944 30 10 IKEE N#Cc1ccccc1NC(=O)c1cc(-c2ccc(F)cc2)n(Cc2ccc(Cl)cc2)n1 1859384505 NBCGJDLUUZDJEW-UHFFFAOYSA-N 430.870 5.515 30 10 IKEE CCOC(=O)c1sc(NC(=O)c2cc(C(C)C)nc3ccc(F)cc23)c(C#N)c1C 1859643518 ILHNSHMDPQTYGG-UHFFFAOYSA-N 425.485 5.168 30 10 IKEE CCCOc1ccc(/C=C/C(=O)C(=O)Nc2ccc(Br)cc2C)cc1OCC 1860728177 AHOXZHJAZMATFX-UXBLZVDNSA-N 446.341 5.166 30 10 IKEE CSc1ccc(Cl)cc1CC(=O)Nc1ccc(CC(=O)Nc2ccc(C#N)cc2)cc1 1860840563 LIZUGTGGQPWECK-UHFFFAOYSA-N 449.963 5.296 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)c1cc(Cl)ccc1OC 1861541499 DNUDGIACYVKDBN-HSZRJFAPSA-N 425.013 5.504 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(Cl)cc2)cc1 1862392309 UJZUXVRTLBLBJK-QHCPKHFHSA-N 449.934 6.054 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2cccc(OCCC)c2)cc1 1862398641 WLCCNGDHXRXVNL-VWLOTQADSA-N 449.591 6.052 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccccc1 1862401181 VPAPPSRGNVLWEY-XMMPIXPASA-N 435.564 5.942 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1c(F)cccc1Cl)c1ccc(F)cc1F 1862420104 CHYAGIMBPZOEKI-IBGZPJMESA-N 447.796 5.129 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccccc1F 1862430734 QOYKEEUKNIWLFJ-XWRIVVANSA-N 427.903 5.636 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@@H]2c2ccccc2F)cc1 1862529619 IMVWGGYMNCCICV-XMMPIXPASA-N 445.490 5.045 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(OC)cc3)[C@@H]2c2ccc(F)cc2)cc1 1862530311 PQNFCOSUGFTDJL-XMMPIXPASA-N 445.490 5.175 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2ccc(C)cc2)cc1 1862532628 IEMJXJBZJMBGCY-SANMLTNESA-N 439.555 5.953 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)cc1 1862613770 PCBQLDOUAJDVGJ-HFRGRHLUSA-N 445.603 6.450 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1F 1862674223 SZSYEDDXOYTUDV-GCJKJVERSA-N 427.491 5.902 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1c(F)cccc1Cl 1862692261 ILEIBQAOQZBTGE-OAQYLSRUSA-N 445.918 5.646 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCC(C)C)cc1 1862717759 LJSMSGADXGRKET-VWLOTQADSA-N 443.543 5.863 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2C2CCCC2)c1 1862721239 CGANJYGJTYFMDH-SANMLTNESA-N 437.539 6.183 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1 1862721467 FTDUJMYUAHTUPJ-VWLOTQADSA-N 435.479 5.725 30 10 IKEE C=CCN1C(=O)C(Nc2cc(C)cc(C)c2)=C(c2ccc(OCc3ccccc3)cc2)C1=O 1863361708 ZPROIOLMRDTVQB-UHFFFAOYSA-N 438.527 5.260 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(C)cc2)C(=O)N(CCCCN(C)C)C1=O 1863619080 AXPBBJOYGAEOTE-UHFFFAOYSA-N 441.660 5.147 30 10 IKEE CC(C)c1nc(Nc2ccc(C#N)cc2)cc(N2CCN([C@H](C)c3cccs3)CC2)n1 1868242278 LXDZYFCTMCNUOC-GOSISDBHSA-N 432.597 5.160 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2)c(CNc2ccc(OC)cc2)cc1=O 1870833178 BGWXVDDPNLHHTE-UHFFFAOYSA-N 434.580 5.867 30 10 IKEE CCCCCCCOc1cn(CCCCCC)c(CNc2cccc(N(C)C)c2)cc1=O 1870839370 JTDCVSCERYYLFM-UHFFFAOYSA-N 441.660 6.456 30 10 IKEE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2)C3=O)cc1OC 1871366710 NTFGYMFFMUBJLL-ZOOSRWFRSA-N 442.467 5.247 30 10 IKEE CCCOc1ccccc1/C=C/C(=O)Oc1ccc2c(c1C)O/C(=C\c1cccs1)C2=O 1871375761 BKCDAKGTGAKUHA-JXGQZURYSA-N 446.524 6.080 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)ccc2C1=O 1871377525 OUZYCUWIJOWWIM-FDTILGBMSA-N 427.412 5.138 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)c1 1871388072 VKLDTRYLBQVLQL-UCQKPKSFSA-N 434.875 5.964 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(O)c3CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)C2=O)cc1 1871394421 WUZZJBKSEAFNPO-AJTBKVJLSA-N 431.576 5.971 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc(OCc3ccc(C(=O)OC(C)C)cc3)c2C)C1=O 1871414189 JMUCBHNXBXENMG-XKZIYDEJSA-N 448.540 6.125 30 10 IKEE N#Cc1ccc(COc2ccc3c(=O)c(-c4cccc5c4OCCCO5)coc3c2)cc1 1871418097 WPAFLGFVQFKOJU-UHFFFAOYSA-N 425.440 5.072 30 10 IKEE CCCCCCCCCOc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O 1871429456 IAMZBIGDNCEGGU-KQWNVCNZSA-N 443.381 7.195 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871450864 SZXNBLCMDWVDRH-YMKHCOABSA-N 445.490 5.973 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccccc4Cl)c3C)C2=O)c1 1871455469 NSQJOVGRJFBZMU-XKZIYDEJSA-N 433.891 5.591 30 10 IKEE C=CCN=c1nc(Nc2ccc(Cl)c(C)c2)[nH]c(N(CCCC)CCCCCC)n1 1871663340 XNEKBJPOQJVFHQ-UHFFFAOYSA-N 431.028 5.784 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(Cl)c(C)c1)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872314706 FGBOYTMAUJPRGO-VGOFRKELSA-N 449.016 5.187 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccccc1C(C)C)c1ccccc1)S(=O)(=O)CCCC 1872457752 YDECEYXPQGJYEG-HSZRJFAPSA-N 428.598 5.108 30 10 IKEE CCCCCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 1872766359 HTSDVBOCEKXQOZ-NRFANRHFSA-N 438.980 6.913 30 10 IKEE C=CCOc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2c(C)cc(C)cc2C)cs1 1872786392 IWSUHCHNHIYNBT-IBGZPJMESA-N 432.545 5.555 30 10 IKEE CCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1 1872787005 YQGGEAALBRZZBS-SFHVURJKSA-N 426.925 5.669 30 10 IKEE CCc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2ccc(OC)c(Cl)c2)cs1 1872789308 DWVYCTRFIXTECH-INIZCTEOSA-N 426.925 5.290 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(C)cc(C)c2)=C(c2c(C)cc(C)cc2C)C1=O 1873331528 OVOVISOIJSJTIM-UHFFFAOYSA-N 446.635 6.781 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc3n[nH]cc3c1)n2CC 1873620148 WHGOBSDLBSDNMX-UHFFFAOYSA-N 433.560 5.352 30 10 IKEE C=CCn1c(C(=O)Nc2cc(C(C)C)cc(C(C)C)c2)cc2c(N3CCCCC3)ncnc21 1873668995 JYACPIYPGMMVHX-UHFFFAOYSA-N 445.611 6.107 30 10 IKEE CCSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1c[nH]c2ccccc12 1874222972 LZMXRVJSPVHZHD-YZSQISJMSA-N 433.581 5.328 30 10 IKEE C=CCSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1ccc(N(C)C)cc1 1874259278 RQWFHDIHPHJSCC-KOEQRZSOSA-N 435.597 5.036 30 10 IKEE C=CCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(O)c(OCC)c1 1874270370 SIAVFZSUDIXJCX-YZSQISJMSA-N 444.560 5.287 30 10 IKEE Cc1ccc(/C=N/n2c(COCc3ccccc3)nnc2SCc2ccc(C)cc2)cc1 1874352746 ZJOYGDYWZDMOQV-JVWAILMASA-N 442.588 5.786 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3C)n2/N=C/c2ccccc2O)c1 1874361160 MAGHHWYXIWSDKD-WPWMEQJKSA-N 442.588 5.560 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2C)n1/N=C/c1ccc(O)c(OCC)c1 1874362468 GQHATYWTQADOJD-MFKUBSTISA-N 436.581 5.026 30 10 IKEE C=CCSc1nnc(CCc2cccs2)n1/N=C/c1cccc(OC)c1OCCC 1874371165 MJMOFQUVJUKAAZ-XQNSMLJCSA-N 442.610 5.083 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(CC2CCCCC2)n1/N=C/c1cccs1 1874411341 OOOZFNVYCPYVTA-ZMOGYAJESA-N 449.020 6.429 30 10 IKEE Cc1ccccc1CSc1nnc(-c2cccs2)n1/N=C/c1ccc(C(C)C)cc1 1874420780 DOWFKAKHHZAFND-MFKUBSTISA-N 432.618 6.613 30 10 IKEE Cc1cccc(CSc2nnc(-c3cccs3)n2/N=C/c2cn(C)c3ccccc23)c1 1874421880 JHUYTDJUNHCSLS-AFUMVMLFSA-N 443.601 5.981 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(F)cc1F 1874440651 MQKUIEANJJXIJM-BRJLIKDPSA-N 434.943 5.973 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccccc3C)nnc2C2CCCC2)cc1OC 1874452303 ORMVHAPUXGVQED-MFKUBSTISA-N 436.581 5.436 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(OCCC)cc1 1874480455 XMCUVEDHOKQKLA-PCLIKHOPSA-N 443.016 6.237 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CCC2)cc1O 1874497161 YGZHAMDXXWXXTD-CVKSISIWSA-N 444.560 5.588 30 10 IKEE COc1cc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C(C)C)cc(Cl)c1O 1874510117 HNRBVKJIOUDSAF-AUEPDCJTSA-N 434.924 5.083 30 10 IKEE COc1cc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CC2)cc(Cl)c1O 1874519856 OWSHMWMACSNNSA-AUEPDCJTSA-N 449.363 5.351 30 10 IKEE COc1cccc(/C=N/n2c(C)nnc2SCc2ccc(Cl)c(Cl)c2)c1OC 1874535674 RBUQTEPKNZYPGY-LSHDLFTRSA-N 437.352 5.085 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc2ccccc2c1 1874571502 QTWLMGYKMJKNBD-ACCUITESSA-N 449.978 6.417 30 10 IKEE COc1cccc(/C=C/C(=O)c2cccc3ccccc23)c1OCc1ccc([N+](=O)[O-])cc1 1874583340 JJKTXQNFKPVGFY-SAPNQHFASA-N 439.467 6.232 30 10 IKEE C=C(C)COc1c(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc(Cl)cc1OC 1874585663 ZIMHJMFQGFMIEO-CMDGGOBGSA-N 428.956 6.640 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2ccccc2C)c(OCC)c1 1874589666 XMRCGQKVGXGCGF-SAPNQHFASA-N 446.543 6.276 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2ccccc2)cc1C 1874591305 DMVRNPAARFUTAB-BUHFOSPRSA-N 445.515 5.234 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1OCC(=O)Nc1nccs1 1874597451 NLJCKGLXWOSPSR-PKNBQFBNSA-N 444.512 5.219 30 10 IKEE COc1cc(C(=O)/C=C/c2cccc(OCc3ccc(F)cc3)c2)c(OC)cc1Cl 1874598962 OHCUOFUGEQIPCL-DHZHZOJOSA-N 426.871 5.971 30 10 IKEE Cc1ccc(COc2ccc(/C=C/C(=O)c3ccc(Cl)cc3Cl)cc2Cl)cc1 1874606166 ZTLRIUIDSWBMGZ-UXBLZVDNSA-N 431.746 7.430 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OCc1c(F)cccc1Cl 1874612924 SJVDAOKOPPJRKK-WEVVVXLNSA-N 432.825 6.241 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)NCc3ccccc3)c(Cl)c2)cc1 1874613575 BKCJEWZBAUGUOD-RIYZIHGNSA-N 449.934 5.330 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)c1OCc1cc(C)ccc1C 1874615337 SERKSWBTXPLQOW-PKNBQFBNSA-N 434.963 7.057 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OCc2ccccc2F)c(Cl)c1 1874633890 ZTASEKZNZIZMFW-VQHVLOKHSA-N 445.317 6.925 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OC(=O)CCCOc2ccc(C)cc2)c1 1874704305 HOXXZZYWILSGPL-NTCAYCPXSA-N 444.527 5.973 30 10 IKEE COc1ccccc1CC(=O)Oc1cccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c1 1874706079 OIZRCWSJIZEDRI-SFQUDFHCSA-N 428.528 6.037 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc(C(C)(C)C)cc3)c2)c(C)c1 1874716247 JPNXKFACILZQMW-XNTDXEJSSA-N 426.556 7.025 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccccc3C)c2)c(OC)c1OC 1874717224 FYXGCGTVLWMIBK-WYMLVPIESA-N 432.472 5.136 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(Cl)cc2Cl)CSc2nncn21 1874812239 ACDRNYOSJVYLJQ-KRWDZBQOSA-N 427.401 5.647 30 10 IKEE COCC(=O)Oc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1Br 1875096345 JKYODNWRHVLYNW-UXBLZVDNSA-N 425.278 5.050 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Br)c(OC(C)=O)c(OC)c2)cc1 1875106312 MCOIGLFBXJXWRB-FMIVXFBMSA-N 431.326 5.622 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)ccc1OC(=O)Cc1ccc(F)cc1 1875109596 VIXZIBGWJHUMCM-KPKJPENVSA-N 448.490 5.586 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)c1ccc(C)cc1 1875111542 JOSCFIVHVFHEHA-FMIVXFBMSA-N 441.310 6.426 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OC(=O)Cc1ccccc1OC 1875113026 RCEAXRRBWFYHTQ-OQLLNIDSSA-N 446.499 5.147 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Br)c2)cc(Cl)c1OC(=O)CC 1875115729 SKCZBHFXFIWCAN-CMDGGOBGSA-N 437.717 5.713 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Br)c1OC(=O)CC 1875122234 JGEALBDNVWEVQU-VMPITWQZSA-N 439.252 5.338 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)c1sccc1C 1875122875 MBASOUHRQPRIRO-FPYGCLRLSA-N 447.339 6.487 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OCC)cc3)cc2)CC1 1875129570 IZCWRTWJHGVAFE-RGVLZGJSSA-N 434.576 6.883 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(C)c(C)c3)cc2)cc1 1875129690 ORHBRBYIORAYLH-LZYBPNLTSA-N 430.500 5.583 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OCC)cc2)cc(OC)c1OC(=O)c1ccncc1 1875130915 XUCBWPKHIGPNFT-KPKJPENVSA-N 443.499 5.333 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)c1ccc(Cl)cc1 1875132340 PVJDDNCRGLGSHO-LFYBBSHMSA-N 441.310 6.426 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3)c(OCC)c2)cc1 1875139031 OJQXHYVFMHDFJR-PJQLUOCWSA-N 448.490 6.129 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3C)c(OCC)c2)cc1 1875139146 SWYPGKDJLRAKIR-MHWRWJLKSA-N 444.527 6.298 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)[C@H](C)c1ccccc1 1875142568 JFDRHDOVPVQPAX-NRJHKNTJSA-N 432.491 6.138 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc(C)cc(C)c3)c([N+](=O)[O-])c2)cc1F 1875152795 JTLBBDUHYJGICB-QPJJXVBHSA-N 449.434 5.475 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)c1ccc(F)cc1 1875159825 MOTJRRSFPKHERH-KGVSQERTSA-N 442.845 6.132 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(C)c3C)cc2)cc1 1875167482 FJHIYIIXHLAXMF-CXUHLZMHSA-N 444.527 5.755 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)c1C 1875168452 CTCNVBAACYAKOB-YRNVUSSQSA-N 428.484 5.764 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OC(=O)CSc3ccccc3)cc2)c1C 1875168460 DGGKDTQPDOTGHP-NTCAYCPXSA-N 430.569 6.514 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(OC(C)=O)cc2)cc1 1875169780 RZOJBYQGSAQYPC-VGOFMYFVSA-N 444.483 5.353 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3)cc2)c1 1875171717 KAVORAXFABVZIE-FOWTUZBSSA-N 430.500 5.528 30 10 IKEE COc1cc(C(=O)/C=C/c2ccc(OC(=O)C(C)(C)C)c(Cl)c2)c(OC)cc1Cl 1875173540 JETUKDVNZIXQTF-SOFGYWHQSA-N 437.319 5.858 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)cc(OC)c1OC(=O)CC(C)C 1875186524 ZNFKDSGPCAZOCN-CSKARUKUSA-N 442.939 5.933 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)ccc1OC(=O)CCCSC 1875189709 CZGPACBDHAIXOS-PKNBQFBNSA-N 442.577 5.655 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)ccc1OC(=O)c1ccccc1 1875193659 UPUODQNIIKTCOA-FMIVXFBMSA-N 436.891 5.863 30 10 IKEE CC(C)(C)c1ccc(C#N)c(NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)n1 1876816771 NSPYEZITLKFRFS-UHFFFAOYSA-N 440.591 5.134 30 10 IKEE CCCCc1ccc(NC(=O)C2CCN(c3oc(-c4cccs4)nc3C#N)CC2)cc1 1891422660 ZHOKTDQTXALVAZ-UHFFFAOYSA-N 434.565 5.472 30 10 IKEE C=C([C@@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1)[Si](C)(C)C 1922982460 ILCSSRMGQXVKQL-VLCRHTCISA-N 434.697 5.287 30 10 IKEE CC(C)(C)OC(=O)NCC[C@@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C1 1949136263 XINXAGINDCMSSF-UUOWRZLLSA-N 429.561 5.405 30 10 IKEE C=CCCCCCCCCC[C@H](N)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2026310399 PJWZLDLYIDCERP-ZEQRLZLVSA-N 432.649 6.121 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@](C#N)(CN(C)C(=O)OC(C)(C)C)C(C)(C)C 2032012328 GKHKFSNWEPDKKT-VWLOTQADSA-N 445.604 5.912 30 10 IKEE CCCCCCCCCC[C@@H](NCC)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2034425263 XRKYYBDOVJYODY-JWQCQUIFSA-N 448.692 6.605 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@](C#N)(N(C(=O)OC(C)(C)C)C3CCCC3)C[C@H]21 2048096833 WTNSDDSJCUFFMC-BSWQBHCVSA-N 447.620 5.628 30 10 IKEE CC(C)(C)c1ccc(Oc2ccc(C=CC(=O)c3ccc(C#N)cc3)cc2[N+](=O)[O-])cc1 2053622026 IXEFSCWAUIVULW-UHFFFAOYSA-N 426.472 6.452 30 10 IKEE CC=C1C(=O)[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@@H]3[C@@H](C)CCC(=O)OC)[C@@]2(C)CC[C@H](O)C[C@H]12 2054110567 SXDZXAFUWCERDJ-PXGTXSGTSA-N 430.629 5.331 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1c(Cl)cc(F)cc1Br 2060546055 PCFYZBDAWOOEAN-CYBMUJFWSA-N 435.721 5.040 30 10 IKEE CC[C@@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)(F)F)c(CN)c1Br 2079979165 MACNZYSEJMCPAY-NSHDSACASA-N 448.180 5.280 30 10 IKEE COc1ccc([C@H](n2nc(C(C)(C)C)c(C=NO)c2Br)C2(C)CC2)cc1C 2080008723 VANURJYYZNHYLZ-SFHVURJKSA-N 434.378 5.458 30 10 IKEE CCCOc1ccc([C@H](C(C)C)n2nc(C(F)(F)F)c(C#N)c2Br)cc1 2080078172 PJIILRYHWNTSSQ-HNNXBMFYSA-N 430.268 5.570 30 10 IKEE Cc1cc(Br)ccc1Cn1nc(-c2ccccc2)c(C#N)c1Br 2080352430 HZEATFUEBKAKIH-UHFFFAOYSA-N 431.131 5.304 30 10 IKEE CCC[C@@]1(CNc2ccc(C#N)c(Br)c2)CCCCN1C(=O)OC(C)(C)C 2162411512 WWVVPQLUDCCYTE-NRFANRHFSA-N 436.394 5.693 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1ncoc1C(C)(C)C 2178420132 YHDONIRFDAIDFZ-HNNXBMFYSA-N 434.334 5.741 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](CNc2cccc(Br)c2C#N)[C@@H]2CCCC[C@@H]21 2179391319 BKFBIDMLTINFJJ-DOXZYTNZSA-N 434.378 5.158 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)cc1Cl 2222752689 WIOTYCGPFMNRAK-IRXDYDNUSA-N 431.802 5.613 30 10 IKEE O=C(OCc1ccccc1)N(CC(F)(F)F)[C@H](CO)c1cc(F)cc(C(F)(F)F)c1 2235301336 KVIBBSKDSCDNIC-MRXNPFEDSA-N 439.327 5.079 30 10 IKEE CN[C@H](C#Cc1ccccc1Br)c1cc(F)ccc1NC(=O)OC(C)(C)C 2235736623 ZMXLOXVKQNVATR-GOSISDBHSA-N 433.321 5.247 30 10 IKEE CCCCC#CC[C@@H](NC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237413808 MCMQKCNGEGBIHM-WOJBJXKFSA-N 437.422 5.057 30 10 IKEE C[C@H](NC(=O)OC(C)(C)C)c1cccc(NC(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)c1 2267122375 KHLPMVXKRIXRCL-RYQLBKOJSA-N 444.381 5.083 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(OC)c(Br)s1 2278274925 PSMFHBLKDRGDCM-BBRMVZONSA-N 447.439 5.419 30 10 IKEE C=CCCC1([C@@H](NCC)c2ccc(Br)c(C)n2)CN(C(=O)OC(C)(C)C)C1 2281047383 ZBGMXZJYRGMUJU-SFHVURJKSA-N 438.410 5.006 30 10 IKEE COc1ccc(CNc2ccc(C#N)c(Br)c2)cc1NC(=O)OC(C)(C)C 2284071583 UVOCRLBFEDUBMU-UHFFFAOYSA-N 432.318 5.288 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](CCNc1c(Br)cccc1C#N)c1ccccc1 2285180063 ARNTXDBOXZHZKS-SFHVURJKSA-N 430.346 5.389 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)CC[C@H](C)CNC(=O)OC(C)(C)C 2296286520 MERUOERIJMOVGI-PXNSSMCTSA-N 437.422 5.110 30 10 IKEE Cc1cc(N2C(=O)C(=O)C(=C(O)c3cc4ccccc4o3)[C@H]2c2ccc(C(C)C)cc2)no1 2296601272 YQYVRQNEOWQWCO-HSZRJFAPSA-N 442.471 5.479 30 10 IKEE Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2SC(=Nc3ccccc3Cl)NC2=O)o1 2297297238 UUPXXSGBQLLEAH-UHFFFAOYSA-N 439.880 5.708 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc2c(c1)OCO2 2314429876 QTJSAKXUNZYMLI-UHFFFAOYSA-N 436.847 5.193 30 10 IKEE CN1C(=O)C(=CC(Cl)=Cc2ccccc2)SC1=Nc1nc(-c2ccccc2)cs1 2314543642 JFZGEKGLDWXPMH-UHFFFAOYSA-N 437.977 6.167 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CC2)cc1 2320880343 MQIVANFAQPGUAI-UHFFFAOYSA-N 426.973 5.772 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(CC)n2N=Cc2ccc(C(C)C)cc2)cc1 2320956382 ZDXUDMVSVVPEEQ-UHFFFAOYSA-N 435.597 5.139 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccccc2F)cc1 2322681285 PQECYEDWFSSGCD-UHFFFAOYSA-N 431.507 6.037 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1cc(C)c2c(c1)OC(=CC=Cc1ccccc1)C2=O 2322762884 NBPGVBCPYVEBFI-UHFFFAOYSA-N 442.467 5.404 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1c(OCCc2ccccc2)ccc2ccccc12 2323022432 IPBXTMZBIXTBHO-UHFFFAOYSA-N 442.942 7.019 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OCC(=O)Nc1cccc(C)c1 2323160347 BOGAODNOYLPESD-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE CCOc1cc(C=NNc2nc3ccc(C)cc3[nH]2)ccc1OCc1cccc(Cl)c1 2323201882 BOTYETJKTUABGL-UHFFFAOYSA-N 434.927 5.948 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cccc(OCC(=O)Nc2ccc(C)cc2)c1 2323290922 STLHKVIRONGKST-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(C)c2)C3=O)cc1 2323374694 WSYAGRKGGMAFGA-UHFFFAOYSA-N 428.484 5.466 30 10 IKEE CC(C)c1ccc(C=C2Oc3cc(OC(=O)c4ccc(-n5cccc5)cc4)ccc3C2=O)cc1 2323675494 SLUCAKPRGSHOPT-UHFFFAOYSA-N 449.506 6.436 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OCC(=O)N[C@H](C)c1ccccc1 2323777668 RUBPNHMNVAWPNR-GOSISDBHSA-N 449.934 5.501 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1c(C)cccc1C 2323802704 BSJNVLXVMXIIMA-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(ccc(O)c3CN3C[C@@H](C)C[C@H](C)C3)C2=O)cc1 2324055208 RJAXDGXUPWLWCK-OALUTQOASA-N 434.580 5.333 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1)c1ccc(F)cc1 2324183315 OEVNWGCNHAGXSX-UHFFFAOYSA-N 435.709 7.261 30 10 IKEE Cc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1ccccc1Cl)C2=O 2324406174 KKMPBVBLBVSZDB-INIZCTEOSA-N 433.891 5.671 30 10 IKEE CCN(CC)C(=O)COc1c(Cl)cc(C=CC(=O)c2ccc(C)c(C)c2)cc1OC 2324434500 YNTLRDDFAHNUGH-UHFFFAOYSA-N 429.944 5.109 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2OC)ccc1OCc1ccccc1C 2324475074 NLELBTIOMJQBDG-UHFFFAOYSA-N 432.516 5.886 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2F)C3=O)cc1 2324475192 DFNLOIMXADCWHE-MRXNPFEDSA-N 431.463 5.410 30 10 IKEE COc1ccc(OCCCOc2ccc3c(c2C)OC(=CC=Cc2ccccc2)C3=O)cc1 2324706052 ZWMBQWBYBXTQJA-UHFFFAOYSA-N 442.511 6.024 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1cc(C)c2c(c1)OC(=Cc1cccc(C)c1)C2=O 2325093090 WMOOLYXCZZGFAA-JOCHJYFZSA-N 436.548 6.201 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2Cl)cc1OC(=O)c1ccc(N(C)C)cc1 2325717040 HJCPMOCTZJDAOE-UHFFFAOYSA-N 435.907 5.530 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)CSc3ccccc3)c2)cc1 2325718609 IVXNUMKNMNAUIJ-UHFFFAOYSA-N 434.513 5.298 30 10 IKEE Cc1cc(C)c(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccc(C)o2)C3=O)c(C)c1 2325737013 LGJMFAJGTQEJOE-UHFFFAOYSA-N 431.488 5.455 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1OC(=O)Cc1cccc2ccccc12 2325750842 MRSHQNLVPIFMRR-UHFFFAOYSA-N 440.470 6.032 30 10 IKEE C=C(C)CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccccc1F 2326130575 NOZDJERWDIDOSM-UHFFFAOYSA-N 444.963 5.817 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1cn(CC)c2ccccc12 2326570143 JBKROUXBNUFWKY-UHFFFAOYSA-N 441.963 5.782 30 10 IKEE CCCOc1ccc(C=Nn2c(CCc3cccc4ccccc34)nnc2SCC)cc1 2326589375 UYNMNSVVSLFEBW-UHFFFAOYSA-N 444.604 6.000 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccc(F)cc1F 2327552048 HTSZDBTWOBLTMK-UHFFFAOYSA-N 434.899 5.339 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccccc3Cl)n2N=Cc2ccccc2)cc1 2327611102 GOFOKDBQFSGTDF-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccccc3)n2N=Cc2ccccc2)CC1 2328158139 MWXLLYRWVKUUQD-UHFFFAOYSA-N 432.637 6.917 30 10 IKEE C=C(C)CSc1nnc(CCOc2ccccc2)n1N=Cc1ccc(Cl)c(Cl)c1 2329189985 MXNRAEULKRVTQX-UHFFFAOYSA-N 447.391 5.757 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccc(C)c(C)c3)n2N=Cc2cccn2C)c1 2329427997 YVTYGZAXXCWSBH-UHFFFAOYSA-N 443.620 5.616 30 10 IKEE CCCSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1ccc(N(CC)CC)cc1 2329442521 QBBHAYRYFMVPKT-UHFFFAOYSA-N 435.641 5.716 30 10 IKEE C=C(C)CSc1nnc(CCc2cccs2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2329662296 UFNKHEJLFFAIQQ-UHFFFAOYSA-N 447.973 5.237 30 10 IKEE Cc1ccc(C=Nn2c(Cc3ccccc3F)nnc2SCc2cccc(C)c2)cc1 2329717412 PQFYEBHWDAOTSX-UHFFFAOYSA-N 430.552 5.799 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2-c2cccs2)cc1 2330531185 JATNDXARFQMFHH-UHFFFAOYSA-N 448.617 6.278 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 2330621331 AEFNLZCTSAKBAS-UHFFFAOYSA-N 445.471 5.428 30 10 IKEE CCSc1nnc(CC(C)(C)C)n1N=Cc1ccc(OCc2ccccc2)c(OC)c1 2330833306 OIWAKYVJFPJZDR-UHFFFAOYSA-N 438.597 5.449 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(CC(C)(C)C)n2N=Cc2ccccc2)c(C)c1 2330881398 MXMTZMGIZZETOD-UHFFFAOYSA-N 435.597 5.097 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2ccccc2C)cc1 2331037146 KFXDYRHPQLHZKR-UHFFFAOYSA-N 447.608 5.420 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2nc(O)c3ccccc3n2)nnc1C1CCCC1 2331084481 KDZZGZDQAHKCMW-UHFFFAOYSA-N 444.564 5.067 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)CCc1ccccc1 2331214888 YIGLDCRQXRBRKP-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(Cl)c3)c(Cl)c2)c(C)c1 2331224315 JSSWGHYCZNEFMA-UHFFFAOYSA-N 425.311 6.726 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(C2CCC2)n1N=Cc1ccc(C)cc1 2331491399 CSMBRRPYARPHFD-UHFFFAOYSA-N 433.581 5.029 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2ccc(Cl)cc2)cc1 2331684458 CYONDBGZFBRFGT-UHFFFAOYSA-N 441.988 5.230 30 10 IKEE CC(C)c1nnc(SCc2c(F)cccc2Cl)n1N=Cc1cn(C)c2ccccc12 2331715259 AEHUNFZUYVAJLS-UHFFFAOYSA-N 441.963 5.860 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)c(OC(C)=O)c(OCC)c2)c(OCC)c1 2331736399 DCDVPNLXJFOTEM-UHFFFAOYSA-N 432.900 5.358 30 10 IKEE COCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1OC 2331780349 NNFIXOMTAJGJMD-UHFFFAOYSA-N 444.955 5.793 30 10 IKEE CC(C)c1ccccc1-n1nnc(C#N)c1NC(=O)C(=Cc1ccccc1)c1ccccc1 2332190277 FUNPWGAJIABIIK-UHFFFAOYSA-N 433.515 5.442 30 10 IKEE CC1(C)OB(/C=C/c2ccc(NC[C@]3(C)CCN(Cc4ccccc4)C3)nc2)OC1(C)C 2339578495 HUWPWZMADFFFLU-PUESRJFGSA-N 433.405 5.050 30 10 IKEE Cc1cc(CN(C)[C@@H]2CC(C)(C)[C@H]2OCc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2369722889 CGXRGGLJGXJRPX-RPBOFIJWSA-N 449.444 5.110 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Br)c(Oc2cc(C#N)ccc2[N+](=O)[O-])c1 2370355315 SABNLLSIZZJUKM-UHFFFAOYSA-N 434.246 5.368 30 10 IKEE C=CCN(CC(=C)Br)[C@@]1(C(=O)O)CCC(C)(C)C[C@H]1OCc1ccccc1 2378545408 KDKZAUXXCUNTLW-KNQAVFIVSA-N 436.390 5.002 30 10 IKEE C=CCN(CC(=C)Br)[C@@]1(C(=O)O)CCC(C)(C)C[C@@H]1OCc1ccccc1 2378545413 KDKZAUXXCUNTLW-UGKGYDQZSA-N 436.390 5.002 30 10 IKEE CC(C)(C)OC(=O)COc1ccc2c(c1)O/C(=C/c1ccc(-c3ccccc3)cc1)C2=O 2420020 XEIYIHOFFOFZDR-BUVRLJJBSA-N 428.484 5.690 30 10 IKEE C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@H](C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C 4095804 HUNLTIZKNQDZEI-DVYRRUIFSA-N 426.729 8.025 30 10 IKEE C=C(C)COc1ccccc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20414322 TUBHCPJYPYXZMC-UHFFFAOYSA-N 426.560 5.189 30 10 IKEE CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccc(C)cc2)C2=C(CCCC2=O)N1 27547236 AYQVTXATXUWCMP-QFIPXVFZSA-N 440.465 5.620 30 10 IKEE O=C(/C=C\c1ccccc1)C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1Cl 33558083 AYRZFHJNKMIXRS-URYZVYFESA-N 429.903 5.518 30 10 IKEE Cc1ccc(N/N=C(/N=N/c2nc(-c3ccccc3)cc(-c3ccccc3)n2)C(C)C)cc1 33922262 GXYKHECEMYDRFL-UHAQZUOCSA-N 434.547 7.284 30 10 IKEE C=CCOc1cccc2c1cc(C(=O)NCc1ccncc1)n2Cc1ccccc1Cl 35927896 XCBGHMFBXQYQBR-UHFFFAOYSA-N 431.923 5.233 30 10 IKEE Cc1cc(C)cc(-n2c(C)cc3c2CC(C)(C)C/C3=N\OC(=O)Nc2ccc(Cl)cc2)c1 39853191 HLAITVMVXRIHQJ-BYNJWEBRSA-N 449.982 6.981 30 10 IKEE C=CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(F)cc2)cc1 39872405 USXGKTHALQQEEM-QHCPKHFHSA-N 427.431 5.247 30 10 IKEE C=CCc1ccccc1OCc1nc2ccccc2n1CCCOc1ccc(CC)cc1 39907114 GMLOZVYAXQOINL-UHFFFAOYSA-N 426.560 6.375 30 10 IKEE C=CCc1ccc(OCCCn2c(-c3ccc(C)cc3C)nc3ccccc32)c(OC)c1 40210756 HUGOPBYOHNIXBC-UHFFFAOYSA-N 426.560 6.526 30 10 IKEE C=CCc1ccccc1OCCCCn1c(COc2ccc(C)cc2)nc2ccccc21 40234881 CKZYNQLORDPETG-UHFFFAOYSA-N 426.560 6.511 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2C)C3=O)c1 41292835 NAZFXHWHSXTQJE-FMCGGJTJSA-N 430.456 5.156 30 10 IKEE C[C@H](/C(O)=N/c1nnc(-c2ccccc2)s1)N(Cc1ccccc1)Cc1ccccc1 47155848 BVWWNLGDTMMODK-LJQANCHMSA-N 428.561 5.884 30 10 IKEE CCCCCCCOc1cccc(NC(=O)Nc2cccc(OCCCCCCC)c2)c1 59075758 VKRWKNAAPZMNSR-UHFFFAOYSA-N 440.628 8.029 30 10 IKEE CCCCCCCOc1cccc(NCc2ccc(OCCOc3ccccc3)cc2)c1 100039047 PKGLKOSDAOYBMJ-UHFFFAOYSA-N 433.592 7.106 30 10 IKEE CCCCCCCOc1cccc(NC(=O)CNc2ccc(OCCOCC)cc2)c1 100085943 UCAJPKFUALUDTO-UHFFFAOYSA-N 428.573 5.502 30 10 IKEE CN1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)S/C1=N/c1cccc(C(=O)O)c1 100938679 SGAPMZGCDITLEU-AMQQTSRNSA-N 444.512 5.198 30 10 IKEE O=C1/C(=C/c2ccc(Br)cc2)Oc2cc(OC/C=C\c3ccccc3)ccc21 103023811 OCBVDSLODJQWGD-UHOBZUOHSA-N 433.301 6.158 30 10 IKEE CCN(Cc1ccccc1)c1ccc(/C=N\n2c(S)nnc2Cc2ccc(F)cc2)cc1 169913536 GHIAARZNRGUKQN-PKAZHMFMSA-N 445.567 5.205 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2cccnc2)cc1Cl 170008637 ITXIZKUVAMROQA-QFIPXVFZSA-N 443.890 5.308 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccc(Cl)cc1)c1cccc(Cl)c1 170059409 VENVTOWYPHYLPE-FQEVSTJZSA-N 439.298 5.167 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1cccc(C)c1 170141130 MAJANRKCOUSKBM-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2cccs2)cc1 170157050 BMQXGPWMUKVXPI-DEOSSOPVSA-N 439.536 6.247 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccs1)c1ccc2ccccc2c1 170163273 RAHSJVZARQOZJO-QFIPXVFZSA-N 426.497 5.075 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccnc2)cc1C 170185708 SHJDPLSXCGRNRQ-XMMPIXPASA-N 442.515 5.270 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@H]2c2ccncc2)cc1 170201227 HMWJFOVNRXTIFK-DEOSSOPVSA-N 442.515 5.216 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1ccc(OCC)cc1 170213736 SHTYDNPUWYCMSY-XMMPIXPASA-N 449.591 6.070 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cccc(OCC)c1 170218521 DPGCQXNHSBHADD-XDHUDOTRSA-N 449.547 5.177 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1cccc2ccccc12 170221200 XOUWEROXSUUSDX-RUZDIDTESA-N 443.543 5.924 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccccc2)c1 170225103 HOMYZOUXKGLENP-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2)ccc1Cl 170226122 MJTDYQROBMZKTM-QFIPXVFZSA-N 433.891 5.522 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2ccccc2)ccc1Cl 170227648 FIQJZWZATXQRKC-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(Cl)cc2)c(C)c1 170235085 MEQJNHJVIZLEHE-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@@H]1c1c[nH]c2ccccc12 170255576 HEUVXZCHYKXFAO-QHCPKHFHSA-N 432.520 5.191 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccc2C)c1 170273174 HLHBKOCUCFNWQK-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2Cc2cccs2)o1 170298152 ZSMBFUMSQGTQBN-JOCHJYFZSA-N 429.497 5.581 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc(O)c2)cc1Cl 170385709 CGEODQZJRPKDGV-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE Cc1[nH]c2ccccc2c1[C@H]1C(C(=O)c2ccncc2)=C(O)C(=O)N1c1ccc(Cl)cc1 170404570 AYQZLGXXOPKJNR-QFIPXVFZSA-N 443.890 5.308 30 10 IKEE COc1cccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2cccc(OC(F)(F)F)c2)c1 170429430 QMICRUFWZXWTFE-HXUWFJFHSA-N 449.425 5.109 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2cc(C)ccc2C)ccc1OC 170440274 IMFUECLOHRFITP-XMMPIXPASA-N 437.536 5.226 30 10 IKEE C=C[C@@H]1c2ccc(Cl)cc2N(S(=O)(=O)c2ccc(C)cc2)[C@H]1C(=O)c1ccccc1 220749529 HVLSOJFEZBFVNK-NFBKMPQASA-N 437.948 5.378 30 10 IKEE Cc1cccc(N2C(=O)C(=O)/C(=C(O)/C=C/c3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)c1 229099730 XXNYPZYFQKYNGI-SXNNGIBWSA-N 440.455 5.086 30 10 IKEE C=CCn1c(SCc2cccc(Br)c2)nnc1C12CC3CC(CC(C3)C1)C2 253562204 DAHDOJYXKFJYCW-UHFFFAOYSA-N 444.442 5.987 30 10 IKEE C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C/c1ccc(OC(F)F)cc1)C2=O 253572196 PXDOMWMSMCFAEF-YWBUJYLWSA-N 444.562 6.254 30 10 IKEE C=CCn1c(SCc2nnc(-c3ccccc3)o2)nnc1C12CC3CC(CC(C3)C1)C2 253574604 SVIULJXNCJMNNF-UHFFFAOYSA-N 433.581 5.274 30 10 IKEE O=[N+]([O-])c1ccc(-c2ccc(C=NNC(=S)Nc3ccc(Cl)c(Cl)c3)o2)cc1 254760453 YJHDGLNIWASIDN-UHFFFAOYSA-N 435.292 5.482 30 10 IKEE CCCN[C@@H](CC#CC(C)(C)C)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 407431782 RNWSMMWOUKZKFM-SFHVURJKSA-N 437.422 6.276 30 10 IKEE CCCOc1ccc([C@@H]2C(c3cccc(OC)c3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526489744 RQRUQRGSRLZCOA-RUZDIDTESA-N 440.499 5.413 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccnc2)cc1Cl 526491480 OBISYYLJVKZIJZ-JOCHJYFZSA-N 431.879 5.063 30 10 IKEE CCCc1nnc(SCc2ccccc2)n1/N=C\c1cc(Cl)c(OC)c(OC)c1 526798829 BFHDEJVAZAAWJQ-QRVIBDJDSA-N 430.961 5.076 30 10 IKEE CCOc1c(Cl)cc(/C=N\n2c(CC)nnc2SCc2cccc(C)c2)cc1OC 526807825 GWGFPKHRGTWTHC-CFRMEGHHSA-N 444.988 5.384 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1ccc(C(C)(C)C)cc1 526811723 QXBRCNLANSAKNV-PKAZHMFMSA-N 434.653 6.710 30 10 IKEE CCCOc1ccc(/C=N\n2cnnc2SCc2c(F)cccc2Cl)cc1OCC 526817457 VSFPIQBMWDNHQO-ROTLSHHCSA-N 448.951 5.433 30 10 IKEE C=CCN(c1ccc(N2CCCC2)cc1)S(=O)(=O)c1ccc(CCCCCC)cc1 586233402 MGBISKDZACVHAO-UHFFFAOYSA-N 426.626 5.791 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1cccc(O)c1Cl 698490358 UAWMIKSOOVAUDY-HNNXBMFYSA-N 437.721 5.814 30 10 IKEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@@H](C#N)c1ccc(Cl)c(Br)c1 698832106 ZWHMQIZBRKXJEQ-LBPRGKRZSA-N 427.648 5.467 30 10 IKEE 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)C1CCCCCC1 698873294 IRLXCVPAKMILDY-CKRAVPEWSA-N 447.620 5.484 30 10 IKEE C=C1CC[C@H](O)C/C1=C/[C@H](O)[C@]1(O)CCC[C@@]2(C)[C@H]([C@@H](C)/C=C/[C@@H](C)C(C)C)CC[C@@H]21 1084294706 KXILCRGOVVVVRF-PZHHTXINSA-N 430.673 5.807 30 10 IKEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1507914359 IKSZOJOBZINJDT-MSOLQXFVSA-N 434.588 5.211 30 10 IKEE CCCCCCOc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CS)cc1 1614621928 ZJXTYPBIMSMHIT-LADGPHEKSA-N 427.610 5.928 30 10 IKEE C/C(=C1\SC(=Nc2cccnc2Cl)N(C2CCCCC2)C1=O)c1ccc(Cl)cc1 1772732055 BVWOJQCKHTYBSP-SVKNRIHUSA-N 446.403 6.715 30 10 IKEE O=C(ON1C(=O)c2ccccc2C1=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1 1772791583 BBAWEQCFTHCCLK-UHFFFAOYSA-N 428.227 5.154 30 10 IKEE N#Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)n(-c3ccccc3)n2)cc1 1859406323 QLDJBDBRDOJYNS-UHFFFAOYSA-N 433.298 5.970 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)/C=C/c1ccc(F)cc1 1861115346 CEBVMVSDXVZTHL-SKELBMGJSA-N 442.550 5.182 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)CCCOc1ccc(C)cc1 1861688965 AUGIKOAQSPAAAQ-XMMPIXPASA-N 430.633 5.402 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)c1ccc(-n2cccc2)cc1 1861772558 KZZPQNBXLBSUDI-DEOSSOPVSA-N 425.617 5.633 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C2CCCC2)cc1 1862380222 XMUMWPSWLAFBOT-FQEVSTJZSA-N 430.331 5.823 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@H]1c1cccc(OCC)c1 1862393120 OGLNKCZCVUDFJE-RUZDIDTESA-N 449.591 6.196 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862413116 WCIWJSORGAINEH-HJPURHCSSA-N 433.454 5.613 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1 1862441227 CLRIPFZDOVSGLC-IRLDBZIGSA-N 425.956 6.277 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 1862468595 SCVMCOUPSLBTSK-LJQANCHMSA-N 446.316 5.213 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccc(C)cc2)cc1 1862487159 UMEWFVMFNIOGRF-VWLOTQADSA-N 425.528 5.699 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1cccc2ccccc12)c1cccc(O)c1 1862593578 VHZGVBBVQOAGAB-VWLOTQADSA-N 435.479 5.324 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(OCCCC)cc1 1862622557 FUBWZBJLSFLPOW-DEOSSOPVSA-N 447.575 5.927 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1c(F)cccc1Cl 1862644309 ICXMIYSXBHDPBS-HXUWFJFHSA-N 449.881 5.395 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C2CC2)cc1 1862655968 SZIXOACJZPYKSH-DEOSSOPVSA-N 427.500 5.369 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862659641 BRDFSHCWTBAEFI-VWLOTQADSA-N 425.528 5.897 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2cccc(F)c2)cc1 1862686944 DFINXDJMKFABRE-HJPURHCSSA-N 431.463 5.174 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2cccc(F)c2)cc1 1862687957 QEJLEENYWHQUMA-QHCPKHFHSA-N 437.511 5.526 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3cccc(Cl)c3C)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1863029235 DIXUWHXPIQKWMT-UHFFFAOYSA-N 441.918 5.534 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Oc3ccccc3)cc2)=C(c2ccc(Cl)cc2)C1=O 1863171904 OCNSJUASZOSTJK-UHFFFAOYSA-N 430.891 5.510 30 10 IKEE Cc1cccc(CN2C(=O)C(Nc3ccccc3C#N)=C(c3cccc4ccccc34)C2=O)c1 1863230403 BTGMDERIJGZCBL-UHFFFAOYSA-N 443.506 5.412 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Cl)c(Cl)c2)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863278337 UGVGYZVCBOYBSN-UHFFFAOYSA-N 442.129 5.678 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccccc3F)C2=O)cc1 1863299771 VMTYRMNSZVJOPE-QGZVFWFLSA-N 439.490 5.213 30 10 IKEE C=CCN1C(=O)C(N[C@@H](C)c2ccc(CC)cc2)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863632886 GAJMAKMSMIJPLZ-AWEZNQCLSA-N 429.347 5.173 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 1866029859 MBAOGMLRJZTEAI-UHFFFAOYSA-N 434.621 7.803 30 10 IKEE CCC[C@@H](NC(=O)[C@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866984147 HUQSAFQAYBXGJW-RTWAWAEBSA-N 446.378 5.528 30 10 IKEE Cc1ccc(C)c2c1C[C@H](C)CN2c1cc(Nc2ccc(C#N)cc2)nc(C(C)(C)C)n1 1868355170 AFMCIPKMRVSLDD-KRWDZBQOSA-N 425.580 6.337 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCCC(C)C)c(=O)cc1CN1CCCCC1 1870580312 POIBXONZIROYIZ-UHFFFAOYSA-N 448.648 5.163 30 10 IKEE C=CCn1cc(OCCCCCC)c(=O)cc1CNc1ccc(Cl)c(C(F)(F)F)c1 1871124004 JMBORQPAFONORQ-UHFFFAOYSA-N 442.909 6.278 30 10 IKEE CCCCCCCCCCN=c1nc2c(cnn2C)c(Nc2ccc(OC)cc2OC)[nH]1 1871298553 AEQUMNCIVXUFRW-UHFFFAOYSA-N 440.592 5.099 30 10 IKEE Cc1cc(OC(=O)/C(Cl)=C/c2ccccc2)cc2c1C(=O)/C(=C/c1ccc(F)cc1)O2 1871377353 GWRNDCCMQFFKNW-FFOWACNVSA-N 434.850 5.936 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OC(=O)CC4CCCCC4)cc(C)c3C2=O)cc1 1871380405 MWZTWARLNMYNEC-XYGWBWBKSA-N 447.575 6.333 30 10 IKEE COc1cc(/C=C2\Oc3c(ccc(OCCc4ccccc4)c3C)C2=O)cc(OC)c1OC 1871399229 FXGAAQQCFYICSI-HMAPJEAMSA-N 446.499 5.259 30 10 IKEE CCCCOC(=O)COc1ccc2c(c1)O/C(=C\c1cn(CC)c3ccc(OC)cc13)C2=O 1871400066 FBLZXTRCWABSLH-MSXFZWOLSA-N 449.503 5.008 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OCCCCOc4cccc(C)c4)c3C)C2=O)c1 1871403427 LEJVEMKLSHQCGW-ITYLOYPMSA-N 444.527 6.166 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871407820 RWJJEWIUBHQBRM-OIVUOPBZSA-N 441.483 5.274 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc(O[C@H](C)C(=O)Nc3cccc(C)c3C)c2C)C1=O 1871414702 XBYGUBPPOXODDN-QLTNSANVSA-N 447.556 6.004 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCCOc4ccc(C(C)(C)C)cc4)ccc3C2=O)cc1 1871414727 LVQJUSXUPGSVLM-IMRQLAEWSA-N 442.555 6.621 30 10 IKEE Cc1c(OCc2ccc(C#N)cc2)ccc2c1O/C(=C\c1cccc(Br)c1)C2=O 1871417323 IQELKGIRBPBKTC-UUYOSTAYSA-N 446.300 5.824 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccc(C(C)C)cc4)c3C)C2=O)c1 1871435654 WWOCFYFUQNEKOO-MYYYXRDXSA-N 441.527 6.061 30 10 IKEE Cc1c(OCc2ccccc2C#N)ccc2c1O/C(=C\c1ccc(Cl)cc1Cl)C2=O 1871437302 QOQMEUOCUWKHJX-YVNNLAQVSA-N 436.294 6.369 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(CC)cc2)[nH]c(N(CC)CCCC)n1 1871585816 RQDRJSORPQVXAV-UHFFFAOYSA-N 426.653 5.998 30 10 IKEE C=CCN([C@H](C(=O)Nc1cccc(C)c1)c1ccccc1)S(=O)(=O)c1cc(C)ccc1C 1872254041 LTAVXMRXMSCHJN-VWLOTQADSA-N 448.588 5.169 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NS(=O)(=O)c1ccc(Cl)cc1 1872612705 HILIIYHWTBLZJD-NRFANRHFSA-N 445.069 5.434 30 10 IKEE CCc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 1872760878 ZTYAAWVPIYYYHX-XMMPIXPASA-N 440.568 6.561 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(F)c(C)c3)n2)c(OCC)c1 1872783459 AARZNHGNMPJSHH-LJQANCHMSA-N 438.524 5.474 30 10 IKEE Cc1cc(C)c(-c2csc([C@@H](C#N)C(=O)COc3ccc(Cl)cc3Cl)n2)c(C)c1 1872786640 OVTGPLFDYCVGOM-INIZCTEOSA-N 445.371 6.297 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(C)ccc2C)=C(c2cccc(OC)c2)C1=O 1873218568 UJQRHGVTDGDJIK-UHFFFAOYSA-N 434.580 5.865 30 10 IKEE CCCCN(CCCC)c1nc(Nc2ccc(C#N)cc2)c2cnn(-c3ccccc3)c2n1 1873482492 BNGSBHLJBJCYKP-UHFFFAOYSA-N 439.567 5.837 30 10 IKEE CCCCCCCCNC(=O)c1cc2c(N(CCC)CCCC)ncnc2n1CC(C)C 1873577518 WADDXKGSKIVZPX-UHFFFAOYSA-N 443.680 6.194 30 10 IKEE CCCCCCCCCCNC(=O)c1cnn(-c2cc(F)ccc2Cl)c1-n1cccc1 1873935363 NSQPPSAJGBIDHF-UHFFFAOYSA-N 444.982 6.326 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2)n1/N=C/c1c[nH]c2ccccc12 1874316589 AWPWCAQZDMFETN-WGOQTCKBSA-N 431.565 5.321 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3C)n2/N=C/c2ccncc2)c1 1874361542 OSKRSMXHWCIVND-WPWMEQJKSA-N 427.577 5.250 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2cccc(Cl)c2)n1/N=C/c1cccs1 1874401142 IPGXVPUDDJQOSG-GCMSVZMUSA-N 439.009 6.319 30 10 IKEE COc1cccc(/C=N/n2c(CCc3ccccc3)nnc2SCCc2ccccc2)c1 1874403790 SGCRYIYVAHIFGV-NHFJDJAPSA-N 442.588 5.289 30 10 IKEE O=[N+]([O-])c1cccc(/C=N/n2c(Cc3cccs3)nnc2SCc2ccccc2)c1 1874412242 JYIFCTKFFDPJJM-HYARGMPZSA-N 435.534 5.013 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCCc3ccccc3)nnc2-c2ccccc2)c1 1874428336 DRUPVFQBXPVHDC-NHFJDJAPSA-N 442.588 5.951 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCc3ccccc3C)nnc2C(F)(F)F)cc1 1874458283 FPBLNVCBDKIDQD-VULFUBBASA-N 447.530 5.626 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2-c2ccco2)cc1 1874469537 KQRJJVJEORWYEX-BHGWPJFGSA-N 430.867 5.644 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccccc3F)nnc2C(C)(C)C)cc1OC 1874484522 ZWPFUJDTUPSFKE-AFUMVMLFSA-N 442.560 5.297 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C(C)(C)C)cc1 1874484786 NZLYHGCUPYPUSR-DHRITJCHSA-N 447.435 6.619 30 10 IKEE CN(C)c1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C(C)(C)C)cc1 1874485186 IOLUGKJHSPMHJQ-ZVHZXABRSA-N 428.005 5.470 30 10 IKEE CN(C)c1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C2CCC2)cc1 1874499397 PUODILLQHOFUQU-DHRITJCHSA-N 443.979 5.579 30 10 IKEE COCc1nnc(SCc2ccccc2F)n1/N=C/c1ccc(Cl)c(Cl)c1 1874501494 KPLHWFMZFNLFTM-LSFURLLWSA-N 425.316 5.045 30 10 IKEE C=C(C)CSc1nnc(CCC)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874507594 KZAXVJCXZVRDAV-AFUMVMLFSA-N 441.000 6.013 30 10 IKEE CCCc1nnc(SCCc2ccccc2)n1/N=C/c1cc(Br)ccc1F 1874507920 BYTQQZCCMAKDEQ-OEAKJJBVSA-N 447.377 5.349 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(SCc2ccc(C)cc2)nnc1C(C)C 1874509151 NWAKQPALRHXDHZ-CVKSISIWSA-N 430.577 6.046 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CC2)cc1OC 1874520516 IJHSAQMELXCXKI-CVKSISIWSA-N 444.560 5.500 30 10 IKEE CC(C)(C)c1ccc(/C=N/n2c(S)nnc2CCCOc2ccccc2Cl)cc1 1874568803 RQZAZIISGCCRQX-BUVRLJJBSA-N 428.989 5.412 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(F)c(C)c2)c1OCc1cccc(F)c1 1874581659 ZPIOSOFNJWWRGH-VQHVLOKHSA-N 428.862 6.410 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1cccc(F)c1)c1cc(Cl)ccc1Cl 1874591595 SLERYWWCNBPOEB-XBXARRHUSA-N 435.709 7.261 30 10 IKEE COc1cc(Br)cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)c1OC 1874591982 MCQCJOHVUFRGDO-CSKARUKUSA-N 427.294 5.524 30 10 IKEE CCc1ccccc1NC(=O)COc1cccc(/C=C/C(=O)c2ccc(OC)c(C)c2)c1 1874593543 OMIBREHWZXYVCV-WYMLVPIESA-N 429.516 5.480 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OCc1nc(O)c2ccccc2n1 1874596381 USRDNJRMTBFWKI-YRNVUSSQSA-N 444.462 5.267 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(OC)c1OCc1cccc(C)c1 1874602288 DNPLADBFIQKMJY-SDNWHVSQSA-N 438.523 6.641 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)cc3C)c(OC)c2)cc1 1874609314 KDRSZDYUIKDBJO-AWNIVKPZSA-N 445.515 5.234 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(Cl)c3)c([N+](=O)[O-])c2)cc1 1874614013 YZYRCDZNVPMBQS-WUXMJOGZSA-N 437.879 6.122 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OCc1c(Cl)cccc1Cl 1874614356 MWXAAEFROMROSL-VZUCSPMQSA-N 447.745 7.131 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)c1OCc1cccc(C)c1 1874617953 BUWQSOCLJXTMJS-VAWYXSNFSA-N 434.963 7.139 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)c(Cl)c2)cc1C 1874631634 MUWZWRCGCOBRNV-YPNIWSFNSA-N 447.962 6.109 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1Cl 1874636218 PVRLEDVBGMMVQV-UKTHLTGXSA-N 427.928 5.072 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)ccc1OCc1cccc(C)c1 1874639365 WQZLSLFJANXEBO-DHZHZOJOSA-N 436.935 6.531 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)c2)cc1 1874701075 AEMAZZDMPPGYOC-DVOKKSTISA-N 446.930 6.344 30 10 IKEE Cc1ccccc1CCC(=O)Oc1cccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c1 1874707458 GNYSHQGTQQLWJK-LDADJPATSA-N 426.556 6.727 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCCOc3ccccc3C)c2)cc1C 1874714057 BPZKBWRFKLRROQ-JQIJEIRASA-N 428.528 6.273 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(F)c(C)c3)c2)c(OC)c1 1874714173 HURJTSDEGNLVCV-XYOKQWHBSA-N 434.463 5.196 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1OC(=O)c1cccc(F)c1 1874715979 VYBGYUNWWQUPDH-JLHYYAGUSA-N 446.518 6.556 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)cc([N+](=O)[O-])c1OC(=O)c1ccccc1 1875119151 HGNCNHWTHVNUSK-BUHFOSPRSA-N 447.443 5.117 30 10 IKEE CC(C)COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc(Cl)c3)cc2)cc1 1875123281 FVMGMZVIZKPHBD-OVCLIPMQSA-N 434.919 6.490 30 10 IKEE CCOc1cccc(C(=O)Oc2c(Cl)cc(/C=C/C(=O)c3ccccc3)cc2OC)c1 1875127804 YWAUDWROKVPAJV-OUKQBFOZSA-N 436.891 5.863 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(Br)c3)cc2)c(C)c1 1875131253 NZQDOSIFXLMTQA-UKTHLTGXSA-N 435.317 6.181 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)cc1 1875132422 RSLJBAYGVONLBT-NTUHNPAUSA-N 425.311 6.346 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccn2)c(Cl)c1)c1ccc(Cl)c(Cl)c1 1875135446 QFWBZPQTGVSFRP-XBXARRHUSA-N 432.690 6.157 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)[C@@H]3CCCO3)c(Cl)c2)cc1C(C)C 1875162665 KKZFPWFMUCNERI-WCYCAPIHSA-N 442.939 5.761 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2ccc(Cl)cc2)cc1 1875169170 CYMFVVCIIBUHDE-MDWZMJQESA-N 434.919 6.010 30 10 IKEE COc1cc(C(=O)/C=C/c2ccc(OC(=O)C3CCCC3)c(OC)c2)c(OC)cc1Cl 1875173575 OZKYOHFELKEJBI-CSKARUKUSA-N 444.911 5.358 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)CCc2ccccc2)cc1 1875184670 KSTLKDKZPYUVPB-QGOAFFKASA-N 426.556 6.727 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)cc1OCC 1875194847 BHLJPGFOVIDHSN-JLHYYAGUSA-N 442.508 5.103 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N(CCCC)CCCC)n2CCC 1875205556 UZDZPTVYAQSPBR-UHFFFAOYSA-N 443.680 6.656 30 10 IKEE O=C(Nc1cc(C(F)(F)F)ccc1F)c1ccc(Br)cc1OC(F)(F)F 1889932502 SUMOAEQKMHYYDU-UHFFFAOYSA-N 446.116 5.758 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@H](C#N)C12CC(CCN1C(=O)OC(C)(C)C)C2 1890091080 MJOVLRBBFMDAOY-CMAULLTDSA-N 441.572 5.105 30 10 IKEE N#Cc1cncc(C2=CCN(C(=O)c3cc(Cl)c(Cl)c(Cl)c3Cl)CC2)c1 1891397737 WPBLTWCNWCEHTH-UHFFFAOYSA-N 427.118 5.496 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC[C@H](CCNC(=O)OC(C)(C)C)C(C)(C)C)NC 1922065143 KOPOHAIDFSIYCS-PKTZIBPZSA-N 432.649 5.705 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)C1(CNC(=O)OC(C)(C)C)CCCCCC1 1922095589 WASJQOGTOIKWMZ-XMMPIXPASA-N 444.660 5.993 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@H]1Nc1ccc(Br)cc1C#N 1924915300 RIEQYOWJESDVPY-KSSFIOAISA-N 434.378 5.206 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)C23CC3)c1 1925705390 ALQZSTSIHFNHIF-DEOSSOPVSA-N 427.545 5.172 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1945527670 TXPALLHSCNXHGL-ATZDWAIDSA-N 449.979 5.619 30 10 IKEE C#Cc1cccc(NC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)c1 1984723894 FGEVHAOIANQVEU-SANMLTNESA-N 438.527 5.170 30 10 IKEE CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2014633581 CVRFENZGEIGUEE-YADARESESA-N 429.561 5.356 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 2022132635 DASMTYNXPPYSEU-CYFREDJKSA-N 429.561 5.276 30 10 IKEE O=C(C=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)c1cccc(C(F)(F)F)c1 2040457976 SLURNRRXOQAJAI-UHFFFAOYSA-N 443.468 8.071 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@](C#N)(N(C(=O)OC(C)(C)C)c3ccccc3)C[C@@]2(C)C1 2052770316 KQSMBMFHZVBJNO-RIEVBORMSA-N 441.572 5.357 30 10 IKEE Cc1ccc(N=C2NC(=O)C(=Cc3c(C)nn(-c4ccc(F)cc4)c3Cl)S2)c(C)c1 2059627652 DGUPJAFSFLCWSF-UHFFFAOYSA-N 440.931 5.482 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CN(C(=O)OC(C)(C)C)[C@@H]1C(C)(C)C 2076161744 UTXRTEZOXJHPJD-KBMIEXCESA-N 443.588 5.664 30 10 IKEE Cc1cc(C)c([C@@H](n2nc(C)c(C=NO)c2I)C(C)(C)C)c(C)c1 2079957563 LKBADJOOAQOXPF-QGZVFWFLSA-N 439.341 5.165 30 10 IKEE Cc1cc(O)c([C@H](C2CCC2)n2nc(C(F)(F)F)c(C=NO)c2Br)cc1C 2080030661 PZKJFXBDWHADLS-HNNXBMFYSA-N 446.267 5.184 30 10 IKEE CC(C)Oc1ccc([C@H](n2nc(C(C)(C)C)c(C=NO)c2Br)C2(C)CC2)cc1 2080060996 KGRMRLHCFWLWAL-IBGZPJMESA-N 448.405 5.928 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@H](C#N)c1ccc(Br)c(Cl)c1F 2098120067 HKLSJDSQIMSOSB-HNNXBMFYSA-N 445.760 6.376 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CC[C@@H](Nc3ccc(Br)c(C#N)c3)C2)CC1 2155287254 WUYQRNKHPFTKMR-QGZVFWFLSA-N 434.378 5.302 30 10 IKEE CC1(C)OB(c2cnc3c(N(Cc4ccccc4)CC4CCCC4)ccnc3c2)OC1(C)C 2172781635 HIMZWGATTQMMKM-UHFFFAOYSA-N 443.400 5.126 30 10 IKEE Cc1cc(F)c(C(=O)C=Cc2ccc(NC(=O)OC(C)(C)C)cc2)c(Br)c1 2173460887 AMFWLYSZGYOHIP-UHFFFAOYSA-N 434.305 6.140 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)cc(C)cc1Br 2173461461 MPYXUXKNXCYOIZ-MJGOQNOKSA-N 441.385 5.244 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1c1ccc(Br)cc1C#N 2174813632 YMTAOKYFLCJYCV-RBUKOAKNSA-N 434.378 5.079 30 10 IKEE CCCCCCC[C@](C)(CO)N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CCC1 2211050756 PFZXYGAFXWZDNS-GDLZYMKVSA-N 449.635 6.902 30 10 IKEE CCCCCCCC[C@@H](C)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1 2223856361 CGQJWNRTTANSSO-ILBGXUMGSA-N 445.692 5.837 30 10 IKEE C=CCCCCCCC[C@H](O)c1ccc(Br)cc1I 2227288803 QSSSRIDNIIEXMX-INIZCTEOSA-N 437.159 6.004 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(C)c(Br)c(C)c1 2227363066 SYBAHNROLMIDQT-HKUYNNGSSA-N 425.411 5.576 30 10 IKEE CCCCCCCC[C@H](C)Nc1ccc(Br)cc1I 2231930441 QJFUIIPWEKPDNX-ZDUSSCGKSA-N 438.191 6.605 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1CC[C@@H](O)C#Cc1ccccc1Br 2235740171 NCTRUDYQEAMFDH-CMKODMSKSA-N 436.390 5.025 30 10 IKEE C#CCCCC[C@H](NCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237419025 XKRDVRUNAQUHKZ-PMACEKPBSA-N 437.422 5.057 30 10 IKEE CC(C)(C)OC(=O)Nc1c(Cl)cc([C@@H](N)C#Cc2cccc(Cl)c2)cc1Cl 2239472091 VMYOHVIQLIQWRA-KRWDZBQOSA-N 425.743 6.045 30 10 IKEE C=CCCC1([C@@H](C[C@@H](C)COCc2ccccc2)NCC)CN(C(=O)OC(C)(C)C)C1 2247410376 CYMJYWKEECUJKH-FYYLOGMGSA-N 430.633 5.411 30 10 IKEE CCN[C@H](CC=CC#CC(C)(C)C)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256732807 HBLSWFLVMCRASM-RPWUZVMVSA-N 442.644 5.461 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)CC1 2259685868 ZOGOWXMHVDNKGB-VWLOTQADSA-N 449.636 6.020 30 10 IKEE C=CC[C@]1(COc2ccc(N)cc2Br)CCCCN1C(=O)OC(C)(C)C 2272094079 YMNXWHNOHXRSRG-HXUWFJFHSA-N 425.367 5.146 30 10 IKEE C=CC[C@@]1(COc2ncc(Br)cc2Cl)CCCN(C(=O)OC(C)(C)C)C1 2272147537 DTEURZLRMRGLFT-LJQANCHMSA-N 445.785 5.470 30 10 IKEE CC(C)(C)OC(=O)NCc1cc(F)ccc1Nc1cc(Br)cc(F)c1C#N 2283841869 GJVDKSFRINRBLK-UHFFFAOYSA-N 438.272 5.367 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)CCN(C(=O)OC(C)(C)C)C(C)C 2296218717 HAMKHDDGOJGLFY-FQEVSTJZSA-N 437.422 5.204 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)CCCCCNC(=O)OC(C)(C)C 2296281271 JRZSNBMPTBHOFH-HXUWFJFHSA-N 437.422 5.254 30 10 IKEE CN[C@H](C#Cc1cccc(Br)c1)c1cc(F)ccc1NC(=O)OC(C)(C)C 2296285898 GEHISKRDFZTVAZ-GOSISDBHSA-N 433.321 5.247 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](C#Cc1ccc(Br)cc1)NCCC 2296304230 DXLSQUGEDMFBSS-VQTJNVASSA-N 435.406 5.028 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 2296548804 BYVTVBKHZVAONA-DEOSSOPVSA-N 429.903 5.831 30 10 IKEE O=C1NC(=Nc2ccc(Cl)cc2)SC1=Cc1cc(Cl)cc(Br)c1O 2296826727 JHOPXYJZQZLVBC-UHFFFAOYSA-N 444.137 5.353 30 10 IKEE Cc1ccc([C@@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 2296927076 OQGFORKXTOCTTI-OAQYLSRUSA-N 444.487 5.370 30 10 IKEE C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1CC(=Cc1ccc(OC(F)(F)F)cc1)C2=O 2297101944 GAKVNINHIOJQFK-WBJOIXBTSA-N 442.477 6.410 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@@H](C#N)[C@@]1(C)CCCCN1C(=O)OC(C)(C)C 2302519498 LXOSMVZEZJFQKG-YADARESESA-N 429.561 5.500 30 10 IKEE C[C@@H]1[C@@H](C)[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C 2304197092 YSUIECASQJHNMF-SEPYTNNBSA-N 449.617 5.413 30 10 IKEE COC1(C#C[C@H](N)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCC1 2315722866 DNIDLCBCSPDRCY-VWLOTQADSA-N 427.544 5.417 30 10 IKEE COc1ccc(C=NNc2oc([C@H]3C[C@H]3c3ccccc3)nc2C#N)cc1Br 2320837407 VDWGDEHUZKLPGV-HOTGVXAUSA-N 437.297 5.034 30 10 IKEE CCCCOc1ccc(C=Nn2c(CC)nnc2SCc2ccc(F)cc2)cc1OC 2320941244 ANKUJTQGESQWEN-UHFFFAOYSA-N 442.560 5.342 30 10 IKEE Cc1cc(C)cc(OCCN2COc3cc(C)c4c(c3C2)OC(=Cc2ccc(C)o2)C4=O)c1 2322193370 YJFHYKOGRDFPCV-UHFFFAOYSA-N 445.515 5.360 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(Br)cc(OC)c2OCCC)cc1 2322612715 GIFIGWNLIZMENA-UHFFFAOYSA-N 433.342 5.931 30 10 IKEE Cc1ccccc1C(=O)Oc1cc(C)c2c(c1)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2322685595 NBSOEUAHQZUCOU-UHFFFAOYSA-N 446.502 6.806 30 10 IKEE COc1cc(C=NNc2cccc(C(=O)O)c2)ccc1OCc1ccc(Cl)c(Cl)c1 2322922986 YKADOBCYMLASQV-UHFFFAOYSA-N 445.302 5.725 30 10 IKEE CC(=O)Nc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(C)c2)C3=O)c1 2322969031 LESVKMHQVARYPM-UHFFFAOYSA-N 427.456 5.097 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCCc2ccccc2)cc1Cl 2322979110 PQTAQOIGFJFNBP-UHFFFAOYSA-N 427.327 6.520 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCc3ccccc3)ccc3ccccc23)c2ccccc12 2323012725 OPZFPONUVDZANF-UHFFFAOYSA-N 444.530 7.477 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2cccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)c2)c1 2323047466 VROHYUSJEJQLFH-UHFFFAOYSA-N 430.460 5.125 30 10 IKEE O=C(C=Cc1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1ccc(Cl)cc1Cl 2323076034 SSIYIMDVIHBFOV-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4ccc(C(F)(F)F)cc4)cc(C)c3C2=O)o1 2323352731 KGAOVLHWFNPMBX-UHFFFAOYSA-N 428.362 5.751 30 10 IKEE CCCCCCCCCOc1ccc(C=Nn2c(S)nnc2-c2ccco2)cc1Cl 2323537003 PDPQONSMXYXJMW-UHFFFAOYSA-N 447.004 6.492 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc5nc(C)c(C)nc5c4)c3C)C2=O)o1 2323557318 WTNDWFQIRWGZBT-UHFFFAOYSA-N 440.455 5.292 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1 2323628176 AQIBUESTBKUNQI-UHFFFAOYSA-N 440.451 5.312 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)C=Cc4ccccc4)cc(C)c3C2=O)cc1OC 2323744799 GGMUJPMKTYAYDX-UHFFFAOYSA-N 442.467 5.247 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(OCC)cc2)C3=O)cc1 2323816350 WDWADGQAQXWEPH-UHFFFAOYSA-N 444.483 5.710 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)c4cccc(OC(=O)C(C)C)c4)c3C)C2=O)o1 2323915034 AWMPCTWRDPSJHV-UHFFFAOYSA-N 446.455 5.293 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3C)cc2)cc1 2323921355 OLVNLQIQWKGXDN-UHFFFAOYSA-N 429.516 5.697 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(CC)cc3)cc2)cc1 2323921466 YEPWBXQUSFGYNK-UHFFFAOYSA-N 443.543 5.951 30 10 IKEE CCCC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C)o2)C3=O)cc1 2323943554 WSODARSPWUDEGJ-UHFFFAOYSA-N 446.455 5.437 30 10 IKEE C=C(C)COc1c(Br)cc(C=CC(=O)c2ccc(OC)cc2OC)cc1OC 2324474488 FOWPXQIKRQIGBM-UHFFFAOYSA-N 447.325 5.326 30 10 IKEE CC(C)OC(=O)c1ccc(COc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2324605343 LRRQUNWBSXEWOX-UHFFFAOYSA-N 448.902 6.100 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(C=CC(=O)c3cc(Cl)ccc3Cl)cc2)c1 2324651823 ZNJGHCVNYWSBDC-UHFFFAOYSA-N 440.326 6.215 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 2324693816 CGCLHGOMPDKOHE-UHFFFAOYSA-N 439.870 5.401 30 10 IKEE COc1ccc(OC)c(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)c1 2324706594 GLOVDDVOFZESKM-FQEVSTJZSA-N 448.544 5.342 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C(C)C)cc4)ccc3C2=O)cc1 2325318258 JKDXHSQWWDURGC-UHFFFAOYSA-N 441.527 6.006 30 10 IKEE CCCCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(CC)cc1 2325530410 RQRUXZQASRPYHS-UHFFFAOYSA-N 447.435 6.664 30 10 IKEE CC(=O)c1ccccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccccc1C)C2=O 2325571939 ZQZZBSYDSGWDQW-UHFFFAOYSA-N 441.483 5.140 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1OC(=O)c1ccc(F)cc1F 2325729793 WCJCYWYBWOYSKE-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE COc1cccc(CCC(=O)Oc2cc(C=CC(=O)c3ccc(F)c(C)c3)ccc2OC)c1 2325741504 UKMBLMSMRACSIW-UHFFFAOYSA-N 448.490 5.586 30 10 IKEE O=C(Oc1cccc(C=CC(=O)c2cc(Cl)ccc2Cl)c1)c1ccc(F)cc1F 2325775103 DXXRKMVIBXIZJP-UHFFFAOYSA-N 433.237 6.387 30 10 IKEE CCCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1sccc1C 2325905820 WXGPXXJEMHAIDW-UHFFFAOYSA-N 442.654 6.217 30 10 IKEE C=CCSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1ccc(OCCCC)cc1 2328961732 MKCQZUWRXSDOQT-UHFFFAOYSA-N 448.636 6.019 30 10 IKEE C=CCSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1ccc(Cl)cc1Cl 2329438631 INLNGJVKBPOYQP-UHFFFAOYSA-N 431.392 5.953 30 10 IKEE Cc1cccc(C=Nn2c(COc3ccccc3)nnc2SCc2ccc(Cl)cc2)c1 2329921170 HZDNUAPXTPEEEL-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SC)nnc2[C@H](C)c2ccccc2)cc1OC 2330048793 DYUMGNPXYIWJOV-GOSISDBHSA-N 438.597 5.612 30 10 IKEE Cc1ccc(CSc2nnc([C@H](C)c3ccccc3)n2N=Cc2ccc(O)cc2O)cc1 2330050861 NREWCQMPJPMOCE-GOSISDBHSA-N 444.560 5.324 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccc(F)cc2)n1N=Cc1ccccc1O 2330063925 HGEQZEVVMSWKDY-KRWDZBQOSA-N 432.524 5.449 30 10 IKEE CCCOC(=O)CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1cccc(Cl)c1 2330149887 KIZPLZLXIPJDSB-INIZCTEOSA-N 442.972 5.011 30 10 IKEE Cc1cccc(CSc2nnc(Cc3cccs3)n2N=Cc2ccccc2C(=O)O)c1 2330353581 VTXJONRSXXOSHV-UHFFFAOYSA-N 448.573 5.112 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(OC)c3)c(Cl)c2)cc1 2330832708 FUUFHDLQFMKMQM-UHFFFAOYSA-N 448.946 6.807 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3ccccc3C)c(OC)c2)cc1C 2330857243 DOJWYEVRMDKAQZ-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)ccc1OC(=O)Cc1cccs1 2330939321 SHNUBZCRSKRASV-UHFFFAOYSA-N 426.921 5.844 30 10 IKEE C=C(C)CSc1nnc([C@@H]2CCCO2)n1N=Cc1cccc(OCc2ccccc2)c1 2330951428 IWEQVYCBVXTVLK-QFIPXVFZSA-N 434.565 5.259 30 10 IKEE Fc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2[C@H]2CCCO2)c(F)c1 2330965856 YMFYRDAQQYGKTL-GOSISDBHSA-N 434.899 5.236 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2OC)c1 2331049637 XXUSSFNYUOMVGE-UHFFFAOYSA-N 447.443 5.117 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)CCCSC 2331122694 UKVRVMRKUHRURQ-UHFFFAOYSA-N 434.941 5.302 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2ccc(C)cc2)nnc1-c1ccco1 2331166122 RLVQAYROQGUOKP-UHFFFAOYSA-N 432.549 5.810 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(SCc2ccc(F)cc2)nnc1-c1ccco1 2331175725 IUMHVIHSWPDTPN-UHFFFAOYSA-N 436.512 5.639 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cncc(C)c3)c([N+](=O)[O-])c2)cc1 2331305835 ZVGGAERBOZYQSH-UHFFFAOYSA-N 446.459 5.202 30 10 IKEE C=CCSc1nnc(CC(C)C)n1N=Cc1ccc(N(CC)Cc2ccccc2)cc1 2331460016 HEHDVRZQYFZOBC-UHFFFAOYSA-N 433.625 5.663 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OC(=O)c1cc(C)cc(C)c1 2331485791 ZKFXMDXURIQNTP-UHFFFAOYSA-N 436.507 6.581 30 10 IKEE Fc1ccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C2CCC2)cc1 2331541944 WXAXCBAAUDKFJA-UHFFFAOYSA-N 435.355 6.166 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)Cc2ccc(F)c(C)c2)cc1 2331659378 VJAVAUQTTWSZND-UHFFFAOYSA-N 432.491 5.804 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)c1ccc(C)cc1 2331673288 CPFWWLGTUFJVIM-UHFFFAOYSA-N 430.500 5.744 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)c1cccc(C)c1 2331705304 DWNAPXBXGRFIMN-UHFFFAOYSA-N 430.500 5.744 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)Cc1ccccc1F 2331779621 LDCCJZYEWNUXPX-UHFFFAOYSA-N 446.518 6.194 30 10 IKEE CC[C@@H](C)[C@@H](COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339574216 FCHGBUTWATYSAF-DEWHONNTSA-N 446.397 5.044 30 10 IKEE C=CCCCCC[C@H](NCC)[C@@H](O)c1sc(Cl)cc1I 2366672174 KMICGBMFDKOYHT-GXTWGEPZSA-N 427.779 5.154 30 10 IKEE CC(C)Oc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2c(F)cccc2Cl)cc1 21242025 VASOUMJEPHBDMS-RDJZCZTQSA-N 427.903 5.271 30 10 IKEE Cc1cc(C)cc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2cccs2)c1 21722334 TVHYJLMBXAXXSD-VWLOTQADSA-N 443.572 6.577 30 10 IKEE C/C(=N/OCc1cccc(C#N)c1)c1cc(-c2ccc(F)cc2)n(-c2cccc(C)c2)c1C 35843461 LVRLFUCMBKIRTN-GTWSWNCMSA-N 437.518 6.713 30 10 IKEE Cc1cccc(/N=C2/S/C(=C\c3ccc(OCc4ccc(Cl)cc4)cc3)C(=O)N2C)n1 39863222 HJHYIVDTDDJQOK-WSUVFPRVSA-N 449.963 5.856 30 10 IKEE COc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(CCCc3ccccc3)C4)C2=O)cc1 41587483 JIWOZDJLSZTXQZ-MYYYXRDXSA-N 441.527 5.405 30 10 IKEE C=CCn1nc(S[C@H](C)C(=O)c2ccccc2)nc1-c1ccc(Br)cc1 72264619 CDOWQHGNEFCRMV-CQSZACIVSA-N 428.355 5.257 30 10 IKEE C=C(C)COc1ccc([C@@]2(C)NC(=O)N(C(c3ccccc3)c3ccccc3)C2=O)cc1 96546764 JPGKHWWJBCVXTH-HHHXNRCGSA-N 426.516 5.198 30 10 IKEE C/C=C\Oc1ccc(C(=O)/C(=C\c2cccc(OC)c2OC)c2nc3ccccc3o2)cc1 98037237 MZVIOITUYFESGZ-ZMVUAHHOSA-N 441.483 6.181 30 10 IKEE CCCCCCCOc1cccc(NCC(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)c1 100090234 AKWVOBXFACUCDL-UHFFFAOYSA-N 439.600 5.615 30 10 IKEE CCN1C(=O)C[C@H](C(=O)Nc2ccccc2F)S/C1=N\c1ccc(Cl)c(Cl)c1 100194534 YHXMJWPTPQRDFT-LTUQMTLXSA-N 440.327 5.113 30 10 IKEE CCCCCCCOc1cccc(NC(=S)NC(=O)c2ccc(OCC(C)C)cc2)c1 100246700 CTXDNMNSAJOZSP-UHFFFAOYSA-N 442.625 6.197 30 10 IKEE COc1ccc(C(=O)O/N=C2/C[C@@]3(C(=O)Nc4cc(C)ccc4C)CC[C@@]2(C)C3(C)C)cc1 100963832 TUBFKTHOLNQHSS-QXOXRTFWSA-N 448.563 5.680 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)S/C1=N\c1ccc(F)cc1 101730053 MJXLWSRHRRLPKK-VDJWSQCXSA-N 436.464 5.408 30 10 IKEE CCCCCCCCCCn1c(CNC(=O)c2ccc(Cl)cc2)nc2ccccc21 102220614 UWVFNDLQEINSPO-UHFFFAOYSA-N 426.004 6.760 30 10 IKEE Cc1ccc(N/N=C/c2cc(Br)c(O)c(Br)c2O)cc1Cl 169879405 MYSSLMZZSUNJFV-NGYBGAFCSA-N 434.515 5.031 30 10 IKEE CCN1C(=S)N[C@H](c2cccc(OCc3ccccc3Cl)c2)C2=C1CCCC2=O 169932919 DUVKBHFTEDLMMU-JOCHJYFZSA-N 426.969 5.177 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccc2OC)c1 169941594 XMSLIZIHSLGUPC-XMMPIXPASA-N 443.499 5.185 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccc(C)c1 169967184 ANDVJHDHXWEWMX-VWLOTQADSA-N 441.527 5.399 30 10 IKEE CCCCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccccn2)cc1 169993566 NFSWPSDNDSQXNL-HSZRJFAPSA-N 446.934 5.861 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccccc2)c1 170055185 BAUHPWNKRWTGCN-DEOSSOPVSA-N 429.491 5.264 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccc(F)cc2)c1 170060501 LFGKEYUZZKWPMX-HSZRJFAPSA-N 442.446 5.099 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccc(C(C)(C)C)cc1 170150293 PAULCZKTKJFRFN-QFIPXVFZSA-N 447.531 5.727 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccs2)cc1 170155826 FZZKOXDNQKOFPI-NRFANRHFSA-N 437.492 5.459 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2cccs2)c1 170158550 PGDNVZTYGWCWPB-QHCPKHFHSA-N 445.540 5.473 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(OCCC)cc1 170215372 MOICLCRIFNAGIL-VWLOTQADSA-N 443.543 6.007 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1cccc2ccccc12 170221225 ILNWXJBZPYKXTK-UPCLLVRISA-N 427.500 5.152 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(OC)ccc3Cl)[C@@H]2c2ccccc2)cc1 170224931 XZNIGSXIQCVJJD-QFIPXVFZSA-N 449.890 5.140 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(F)cc2)c1 170239453 WNXOFXGRBFXHIG-HSZRJFAPSA-N 431.463 5.397 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1C 170239638 ZLLJAIIVKJEEAA-HSZRJFAPSA-N 431.463 5.316 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1ccc(Cl)c(Cl)c1 170246417 CJFKGAKALIJLID-IBGZPJMESA-N 434.319 5.299 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccccc2F)cc1 170249505 GPNYBUZZQHKKSW-GYCJOSAFSA-N 443.474 5.240 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(CC)cc2)c1 170268500 KPTXUKMNTYSTHX-XMMPIXPASA-N 433.548 5.559 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)cc(C)c3OC)[C@@H]2c2ccco2)cc1 170285234 MXMHDSGQMFBATB-QFIPXVFZSA-N 447.487 5.087 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccco2)cc1Cl 170288155 NDQALQSHPYBKFP-NRFANRHFSA-N 432.863 5.506 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(F)ccc3OC)[C@@H]2c2ccc(C)o2)cc1 170300893 FSZAHQCVUGXRNS-QFIPXVFZSA-N 435.451 5.081 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2ccc(C)c(C)c2)o1 170301829 WORPPVUPVORNAS-RUZDIDTESA-N 437.495 6.141 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1Cc1cccs1 170312691 WUUSXJCSYWOIBK-OAQYLSRUSA-N 445.565 6.050 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccncc2)=C(O)C(=O)N1c1ccc(Cl)c(Cl)c1 170397622 JWYMKBGURDOFHC-FQEVSTJZSA-N 439.298 5.480 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 170421603 DQGNRYJIMIHZQI-JOCHJYFZSA-N 433.891 5.127 30 10 IKEE CCN(CC)c1ccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@H]2c2ccc(N(C)C)cc2)cc1 170443443 TUHUCPXQECPVSI-RUZDIDTESA-N 449.595 5.114 30 10 IKEE CCOc1ccc(-c2csc(N(N=Cc3ccc4c(c3)OCO4)c3ccccc3)n2)cc1 254484423 OZHKBXNNFKQDBH-UHFFFAOYSA-N 443.528 6.110 30 10 IKEE CC(C)[C@]1(C)CSC(=Nc2c(Br)cc(Cl)cc2Br)N1 398511882 RDJUNNHWXBKPBX-ZDUSSCGKSA-N 426.605 5.604 30 10 IKEE Cc1cc(NC(=O)c2ccccc2OCc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 405018850 ZGNGDGNTJZDVOK-UHFFFAOYSA-N 443.352 5.126 30 10 IKEE CCCCOc1ccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526487983 BWSBVQKWNZEYPL-RUZDIDTESA-N 442.490 5.933 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccc(OC)c2)cc1 526516246 OXBGIBKIQYOZHP-RUZDIDTESA-N 440.499 5.413 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)cc2)cc1OC 526775614 OCPWCNBGGOQTDC-HSZRJFAPSA-N 447.462 5.016 30 10 IKEE CCCOc1ccc(/C=N\n2c(C)nnc2SCc2cc(C)cc(C)c2)cc1OCC 526809314 BMUATTCSFWOKIH-MYYYXRDXSA-N 438.597 5.565 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccccc1OCC(C)C 526811442 KXPLSQPTBXNBAR-QFEZKATASA-N 443.016 6.093 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1cccc(Cl)c1 526814151 AJVBRILQHNGTDD-YVNNLAQVSA-N 425.772 5.975 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1cc(Cl)c(O)c(OC)c1 526819446 WMWJOGZJWJOALQ-MSXFZWOLSA-N 444.988 5.390 30 10 IKEE CC(C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@@H]1[C@@H]1CCCCN1C(=O)OC(C)(C)C 698383075 XZQNJZFXRBBITA-IMWIBFENSA-N 435.609 5.484 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCO[C@@H](C(F)(F)F)C1 698497629 NHIQSERFDLQCTF-PBHICJAKSA-N 449.267 5.194 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@H](C#N)c1cccc(Br)c1F 698878622 ZMTPGCPGKXONSQ-HNNXBMFYSA-N 425.323 5.652 30 10 IKEE COc1ccc(Br)c([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)c1 710764194 ADFDKCJSNXUCGB-LJQANCHMSA-N 437.378 5.982 30 10 IKEE CCCC[C@H](CC)OC(=O)CSc1n[nH]c(NN=C(C)c2ccc3ccccc3c2)n1 1084337277 AMEIGTZLJUMQEQ-FQEVSTJZSA-N 439.585 5.398 30 10 IKEE C=CCn1cc(/C=C2/SC(=Nc3ccccc3)N(C3CCCCC3)C2=O)c2ccccc21 1084427053 GCSOGIKNJZEHLY-OFGWUVNBSA-N 441.600 6.764 30 10 IKEE Cc1cc(Br)cc(C)c1N=C1C(=O)N(CN2CCC(C)CC2)c2ccccc21 1084583762 XVMMKGVONVJACC-UHFFFAOYSA-N 440.385 5.223 30 10 IKEE CC(=O)O/N=C(\C)[C@]12C[C@@H]1C[C@@H]1[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 1565534845 GGQIDQJAIYDGEX-IABRRNCOSA-N 427.585 5.436 30 10 IKEE CCc1ccc(C(=O)N2c3ccc(F)cc3/C(=N\c3cc(F)c(F)c(F)c3)C[C@H]2C)cc1 1615946865 VJPJDKBVCQXFBP-RSGQNOTISA-N 440.440 6.365 30 10 IKEE Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1C(=NNc1ccccc1)CC(C)(C)C2 1772728845 AOZVVDJZBKLVRH-UHFFFAOYSA-N 444.560 6.239 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=Nc1ccncc1Cl 1772734353 CQHVUQQLZRHAGJ-WZBMNHFVSA-N 434.746 5.288 30 10 IKEE OCc1cc(-c2c(F)c(F)c(F)c(F)c2F)cnc1-c1c(F)c(F)c(F)c(F)c1F 1848358620 PUKSVGXDMUFGKF-UHFFFAOYSA-N 441.224 5.299 30 10 IKEE CCCCCCCCCCN1C(=O)/C(=C\c2ccc(OCC)c(OCC)c2)SC1=S 1858586412 GYRPMJLEUYNRFP-RELWKKBWSA-N 449.682 6.826 30 10 IKEE N#Cc1ccccc1NC(=O)Oc1cccc2c(NC(=O)CC3CCCCC3)cccc12 1858776826 YCNBSMKXZMKTHD-UHFFFAOYSA-N 427.504 6.231 30 10 IKEE CCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)c1c(Cl)ccc(Cl)c1OC 1861149725 WCVPDMQOVILHCL-KRWDZBQOSA-N 429.388 5.083 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)c1ccc(OCC)cc1)c1ccccc1 1861369546 REHPXLFADSNMER-VWLOTQADSA-N 438.612 5.813 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CC1CCCCC1 1861456665 OBVXFLMNUNCUPH-VWLOTQADSA-N 446.651 6.080 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc(Cl)c1)c1ccccc1Cl 1862432591 IJAMMFRCTKQPRB-HXUWFJFHSA-N 439.298 5.167 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)cc1 1862455895 FNOXIQLQMYVZPU-JSVDNDDVSA-N 443.465 5.569 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cccc(F)c1)c1ccc(Br)cc1 1862468035 GZKHKOHNSVCUML-LJQANCHMSA-N 444.300 5.109 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2ccccc2Cl)cc1 1862516467 OTUSCJHMKDUVPR-QVKFZJNVSA-N 427.928 5.506 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(CC)cc1 1862590787 PXZXBAWSIIWLGR-ZJSXRUAMSA-N 435.564 5.892 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc2c(c1)OCCO2 1862620528 UGHWPACEDYUNJP-QMHKHESXSA-N 449.547 5.132 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@@H]1c1ccccc1Cl)c1ccc(F)cc1 1862675265 GDFZTXFJXRGJHM-OAQYLSRUSA-N 439.845 5.397 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1 1862675672 QUYZNVIQRXXUMK-XWRIVVANSA-N 427.903 5.636 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(F)cc2Cl)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863287305 QMEFWDDATHLEAO-UHFFFAOYSA-N 425.674 5.164 30 10 IKEE COC(=O)c1c(NC(=O)c2ccc(OCC#N)cc2)sc(C)c1-c1ccc(C)c(C)c1 1865939880 RCLORORUKQBBRR-UHFFFAOYSA-N 434.517 5.282 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N2C[C@@H](C)O[C@H](C)C2)nn1-c1ccc(Cl)cc1 1869951253 TZZJBURYQJQMJB-QZTJIDSGSA-N 448.011 5.223 30 10 IKEE CCCCc1ccc(-n2nnc(C#N)c2NC(=O)/C(=C\c2ccccc2)c2ccccc2)cc1 1870142886 ZTTNKTAAXCKVRV-PLRJNAJWSA-N 447.542 5.661 30 10 IKEE CCCCCCCCn1cc(OCC(=O)NCCCC)c(=O)cc1CSC(C)(C)C 1870287388 YSVGJSHFXYFNSQ-UHFFFAOYSA-N 438.678 5.536 30 10 IKEE C=CCn1cc(OCc2ccc(OC)c(F)c2)c(=O)cc1CN(CCCC)CCCC 1870383731 ZZQWPBQFQGSOAP-UHFFFAOYSA-N 430.564 5.163 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(O)cc2)c(CN(CCC)CCC)cc1=O 1870416661 JADVHGBJQRZOLT-UHFFFAOYSA-N 428.617 5.573 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OC(C)(C)C)cn1CCCCCCCC 1870445586 GYFWNKJCJKTXLF-UHFFFAOYSA-N 446.632 5.103 30 10 IKEE CCCCCCCOc1cn(CC)c(CNc2ccc(N3CCCCC3)cc2)cc1=O 1870835780 JAPDCSVTYUANJY-UHFFFAOYSA-N 425.617 5.820 30 10 IKEE CCCCCCCOc1cn(Cc2ccco2)c(CNc2ccc3c[nH]nc3c2)cc1=O 1870837393 DCACDHPBEDLWLW-UHFFFAOYSA-N 434.540 5.327 30 10 IKEE C=CCn1cc(OCc2ccc(F)cc2)c(=O)cc1CNc1ccc(Cl)c(Cl)c1 1871074983 OQTFVXKKBMUVBU-UHFFFAOYSA-N 433.310 5.671 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2C1=O 1871372916 QZRLFCYUODXRGH-FBHDLOMBSA-N 435.819 5.392 30 10 IKEE CC(C)N(Cc1ccccc1)Cc1c(O)ccc2c1O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 1871393848 NFRNJZPUPZXPOV-OYKKKHCWSA-N 444.487 5.327 30 10 IKEE Cc1cccc(OCCCOc2ccc3c(c2C)O/C(=C\c2ccc(N(C)C)cc2)C3=O)c1 1871405659 MHBDNMHSGWPOJH-ITYLOYPMSA-N 443.543 5.834 30 10 IKEE Cc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 1871410386 ZNZDUWICEVYONZ-SUVVMJBMSA-N 431.463 5.465 30 10 IKEE COc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccc(C)cc1)C2=O 1871411944 MTGYJSICHKOVFG-XHFXOGKZSA-N 443.499 5.334 30 10 IKEE Cc1cc(OCCOc2ccc(Cl)cc2)cc2c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O2 1871415257 XVXGDYZBPOGHBD-MYYYXRDXSA-N 448.946 6.846 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C)cc4Cl)cc(C)c3C2=O)cc1 1871436338 VTNBJCMQGZRDJC-FMCGGJTJSA-N 447.918 5.899 30 10 IKEE O=C1/C(=C/c2cccs2)Oc2cc(OCc3cccc(Oc4ccccc4)c3)ccc21 1871436616 HSAUOZRVHTVZJP-XYGWBWBKSA-N 426.493 6.736 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(F)cc2)[nH]c(N2C[C@@H](C)C[C@@H](C)C2)n1 1871515920 LNLDQGVVAXJTPX-KDURUIRLSA-N 428.600 5.431 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1cccs1 1871993125 RWNRGCADOSIFMA-HXUWFJFHSA-N 434.627 5.129 30 10 IKEE C=CCN([C@H](C(=O)Nc1cccc(C)c1C)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 1872515397 SMOWQFHTUOCIAW-VWLOTQADSA-N 448.588 5.169 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NS(=O)(=O)c1cc(C)ccc1C)[C@H](C)CC 1872612602 FSBQZFIQBYAQCY-NFBKMPQASA-N 438.678 5.253 30 10 IKEE N#C[C@@H](C(=O)CCCOc1ccccc1)c1nc(-c2cccc(Br)c2)cs1 1872763881 XVWRSAADZUKRHS-SFHVURJKSA-N 441.350 5.608 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@H](C#N)C(=O)c3cccc4ccccc34)n2)c1 1872781851 YXFZHMIHDARFQF-JOCHJYFZSA-N 442.540 6.251 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccc(F)cc2)=C(c2ccccc2)C1=O 1873158926 WRDINQQLIYZTNV-UHFFFAOYSA-N 436.571 5.836 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cccc(C)c2)=C(c2ccccc2C)C1=O 1873303005 OBGFAWMBKBDMPI-UHFFFAOYSA-N 432.608 6.636 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc2cc[nH]c2c1 1873501315 ZYJUAAHFTGRNSV-BRJLIKDPSA-N 427.936 5.679 30 10 IKEE CCCCCCCCNC(=O)c1cc2c(N3CCCCCC3)ncnc2n1CCCC 1873581042 VAFIKZLRRZAPJH-UHFFFAOYSA-N 427.637 5.702 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccccc1C(C)C)n2CC(C)C 1873656819 NRYQRWUYFWXZPR-UHFFFAOYSA-N 431.584 5.641 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1cc(C)ccc1C)n2Cc1ccco1 1873663156 WFUJGYQAQMLENU-UHFFFAOYSA-N 441.535 5.120 30 10 IKEE CSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(C(C)(C)C)cc1 1874203771 RTEDVXKUOAQGQY-WYMPLXKRSA-N 449.407 6.066 30 10 IKEE CCSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1ccccc1Cl 1874207885 XQILCDNPXPZJIJ-CIAFOILYSA-N 435.778 5.279 30 10 IKEE CCCOc1cccc(/C=N/n2c(CCCOc3ccccc3Cl)nnc2SC)c1 1874216194 LYHTWSCICJCUFW-LFVJCYFKSA-N 444.988 5.336 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1cc(C)ccc1O 1874230788 CHSVTKGIELVBCG-FSJBWODESA-N 430.961 5.217 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(OCC)cc2)n1/N=C/c1ccc(CC)cc1 1874236279 ZZFYCHZLPMBGMK-MFKUBSTISA-N 436.581 5.369 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1sccc1C 1874257894 CXUPVJJVNRQVGB-YDZHTSKRSA-N 426.611 5.730 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1cccc(Cl)c1 1874264964 SSFIXVHSVUYZDA-FOKLQQMPSA-N 433.364 5.714 30 10 IKEE CCCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccccc1[N+](=O)[O-] 1874279694 PJBLXFOEFJWOKK-HYARGMPZSA-N 429.933 5.009 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(Cl)cc3)n2/N=C/c2cccnc2)cc1 1874339110 IWEQNNWEYGETNH-CVKSISIWSA-N 433.968 5.400 30 10 IKEE Clc1ccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccc[nH]2)c(Cl)c1 1874409896 RPUXZDZRTXHOFT-DHRITJCHSA-N 448.423 6.210 30 10 IKEE COC(=O)c1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2-c2cccs2)cc1 1874420129 BRCGGFFEJWESIU-ZVHZXABRSA-N 448.573 5.276 30 10 IKEE Cc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccc(Cl)cc2Cl)cc1 1874441430 WWBMSSDKGGHXTJ-DHRITJCHSA-N 447.435 6.656 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2ccc(F)cc2)o1 1874455074 ZKJVOWLNEHDNNN-ZMOGYAJESA-N 442.516 5.019 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccco2)n1/N=C/c1c(Cl)cccc1Cl 1874464661 VPTIJEXYWBEYFZ-WYMPLXKRSA-N 443.359 6.328 30 10 IKEE COCCc1nnc(SCc2ccccc2C)n1/N=C/c1c(OC)ccc2ccccc12 1874469897 CNRYNMOMDMNPOF-WGOQTCKBSA-N 446.576 5.112 30 10 IKEE COCCc1nnc(SCc2ccccc2F)n1/N=C/c1ccc(C(C)(C)C)cc1 1874472751 VUWPHLFUMSYIDM-MFKUBSTISA-N 426.561 5.078 30 10 IKEE CCCSc1nnc(CC(C)C)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874490763 JEZPKKZWDASESU-MFKUBSTISA-N 443.016 6.093 30 10 IKEE O=[N+]([O-])c1cc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C2CCC2)ccc1Cl 1874494687 DQTDNIYITQNRMO-FOKLQQMPSA-N 445.907 5.421 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(C)n1/N=C/c1ccc(C(C)(C)C)cc1 1874529854 DZMKUCCWLMVNSV-MFKUBSTISA-N 435.597 5.059 30 10 IKEE Cc1ccc(COc2ccc(/C=N/n3c(C)nnc3SCc3cccc(F)c3)cc2)cc1 1874531249 YYBMGLLWFFZSDA-JFLMPSFJSA-N 446.551 5.788 30 10 IKEE CCCOc1ccc(/C=N/n2c(S)nnc2CC23CC4CC(CC(C4)C2)C3)cc1OC 1874567206 LELVLZVGBXUCHD-MFKUBSTISA-N 440.613 5.005 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C)c(C)c2)c1OCC(=O)Nc1ccc(C)c(C)c1 1874587793 FDBNSVFILSRIQM-WYMLVPIESA-N 443.543 5.842 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccccc1OCC(=O)Nc1ccccc1 1874588864 JCMMZIMXWIWMFU-OUKQBFOZSA-N 435.907 5.571 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2cccc(OCc3cc(C)ccc3C)c2)cc1Cl 1874599901 KBHZLAVZJNBCIM-MDZDMXLPSA-N 441.354 7.094 30 10 IKEE CCCN(CCC)C(=O)COc1cccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1 1874600728 ACFBHBFJTHKOLN-DHZHZOJOSA-N 434.363 5.917 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1)Nc1ccccc1 1874607734 CPBVNJGBIGZMOD-OVCLIPMQSA-N 436.305 5.363 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCc3cc(C)ccc3C)c(Br)c2)c(C)c1 1874617509 FSVOGMSVCUEENG-DHZHZOJOSA-N 449.388 7.158 30 10 IKEE CCCOC(=O)COc1c(Cl)cc(/C=C/C(=O)c2cc(C)ccc2OC)cc1OCC 1874619556 GVIWSGIZUCVXBB-CMDGGOBGSA-N 446.927 5.284 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1 1874633841 XLETUOXNYAYNPZ-WEVVVXLNSA-N 445.317 6.925 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2)cc1OC(=O)c1cc(Cl)ccc1Cl 1874700289 KPQORYXOEAYVCZ-YRNVUSSQSA-N 427.283 6.117 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1OC(=O)c1ccc(Cl)cc1 1874705904 GGCHSXMABFSROV-PJQLUOCWSA-N 448.946 6.761 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1OC(=O)CC1CCCCC1 1874707267 XLPIPHLGFZZKFY-JQIJEIRASA-N 428.528 6.620 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)cc([N+](=O)[O-])c1OC(=O)c1ccccc1 1875101703 XHKYGMGRVIAAAN-OUKQBFOZSA-N 447.443 5.117 30 10 IKEE CN(C)c1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3Cl)cc2Cl)cc1 1875113270 CYSHUSFQNCMFEK-NTUHNPAUSA-N 440.326 6.175 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3c(C)cccc3C)c(OC)c2)cc1 1875115247 TYESESHFZNNITB-RIYZIHGNSA-N 446.499 5.201 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)CCc1ccccc1 1875133496 XVHOGUXUBZDBAJ-RVDMUPIBSA-N 430.500 5.447 30 10 IKEE O=C(Cc1cccs1)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1Cl 1875150020 UEDXDENIUKTEAM-ZZXKWVIFSA-N 426.877 5.174 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2)cc1 1875156209 PCCXPXYADYEJQG-CNHKJKLMSA-N 444.527 6.089 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)ccc1OC(=O)c1cccnc1 1875190545 UYHBFCVRUWATKN-CSKARUKUSA-N 431.488 5.221 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1csc(Cl)c1 1948775860 BBYAOJOKJHNKKI-AWEZNQCLSA-N 427.751 6.170 30 10 IKEE C=C(C(=O)O)[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)OCC1c2ccccc2-c2ccccc21 1951584464 SIUWQQKJMAWHJJ-IBVKSMDESA-N 445.559 5.847 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CC[C@H]1NC(=O)OCc1ccccc1 1959029914 IHGWYIWRGQQGBQ-PXDATVDWSA-N 435.524 5.088 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 1996779736 QCYDFIYFAHCUEC-UEQSERJNSA-N 428.617 5.021 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccccc2)cc1 2027946802 CCZZRHURTPBXIW-VWLOTQADSA-N 437.540 6.214 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2ccc(NC(=O)OC(C)(C)C)cc2)cc1 2031668072 WFKVASLERYPQCL-NRFANRHFSA-N 437.540 6.348 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)C2(CC2)C1 2037543525 XHTILOBKXMLXQV-RUZDIDTESA-N 441.572 5.562 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c1ccccc1F)C2 2041700947 BPDBQWJHLIHQSN-CZKAHXPPSA-N 445.535 5.391 30 10 IKEE CCCCCCC[C@H](NC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071252031 JWLDUEMPKQHLQY-MHZLTWQESA-N 431.620 7.466 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@@H](C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2077948322 RNZKLNJFBSIGAI-MOPGFXCFSA-N 447.551 5.495 30 10 IKEE CC(C)(C)c1nn(-c2cccc(C(F)(F)F)c2F)c(Br)c1C(F)(F)F 2079690730 GQNQOHSHOXVTNI-UHFFFAOYSA-N 433.165 6.109 30 10 IKEE CC(C)c1nn([C@H](c2ccc(C(F)(F)F)cc2F)C2CC2)c(Br)c1C#N 2079878840 UEHWBPZKOBEGQZ-INIZCTEOSA-N 430.243 5.798 30 10 IKEE CC1([C@@H](c2ccc(C(F)(F)F)cc2F)n2nc(C(F)(F)F)c(C(=O)O)c2Cl)CC1 2079970015 MKYUOLZJBWFLID-GFCCVEGCSA-N 444.734 5.801 30 10 IKEE CC(C)c1ccc([C@H](C)n2nc(C3(C)CC3)c(C=NO)c2I)cc1 2079971873 MXWLKZCSKJSCEW-ZDUSSCGKSA-N 437.325 5.080 30 10 IKEE COC(=O)c1cnc2c(-c3c(F)cccc3C(F)(F)F)c(C(F)(F)F)nn2c1Cl 2081523119 GIPSGOMQFBHDRC-UHFFFAOYSA-N 441.690 5.013 30 10 IKEE CC(C)N[C@@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)CC1(C)CC1 2086586068 VOUIXUDANRYIGE-NDEPHWFRSA-N 432.656 5.071 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@H](C(C)C)N(Cc2ccccc2)C1 2090226028 FMKASGHDSIOHFG-KCWPFWIISA-N 449.595 5.630 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2094885023 MWXNTZMYZYDARD-NEEULUBSSA-N 447.579 5.526 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2c(Cl)cccc2Br)c1 2094995735 XQIFBNORGRJVLW-QGZVFWFLSA-N 435.749 6.417 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](Nc2cc(Br)c(C#N)cc2F)CCC1(C)C 2105996299 OMMXUSUQFSJOEG-CYBMUJFWSA-N 426.330 5.050 30 10 IKEE C=CCC1([C@@H](Cc2ccc(Cl)c(Br)c2)NC)CN(C(=O)OC(C)(C)C)C1 2110503425 JWZCWIIISFRYPI-QGZVFWFLSA-N 443.813 5.046 30 10 IKEE C=CCCCCCCCCNc1cc(I)ccc1Br 2142453643 SUUGSGDWNOHRKU-UHFFFAOYSA-N 436.175 6.382 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)C[C@@H]2CCCC[C@]2(C)C1 2154232079 JNJZTAFURVSZHY-KNXBSLHKSA-N 433.390 6.443 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(C)ccc(Br)c1F 2159120521 ILMDODOKNWQHTE-QFBILLFUSA-N 441.385 5.244 30 10 IKEE CC(C)(C)OC(=O)NCC[C@H]1CCC[C@H](Nc2cc(Br)c(C#N)cc2F)C1 2162308556 IUVSFNXIBQTBRL-HIFRSBDPSA-N 440.357 5.345 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2cccc(F)c2C#N)ccc1Br 2181055846 MOZSSPWJZQJJSE-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc(CCCOc2cc(Br)cnc2C#N)c1 2198821402 YEWDDBPBGJOOTB-UHFFFAOYSA-N 432.318 5.074 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1sc(C)c(C)c1Br 2229234964 CZGITSLQBKYXJE-MRXNPFEDSA-N 435.387 6.442 30 10 IKEE CCCCCCCC[C@@H](C)Nc1ccc(I)c(Br)c1 2231923786 NHBVLUQSTCJMHH-CYBMUJFWSA-N 438.191 6.605 30 10 IKEE C=CCN(CC[C@@H](NCCC)c1cc(Cl)c(Cl)c(Cl)c1)C(=O)OC(C)(C)C 2232526553 IWPJLFDNYBXLQV-QGZVFWFLSA-N 435.823 6.501 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[C@@H]2Nc2ccc(C#N)cc2Br)C1 2233763258 NMSNSJSYHRTVFT-NUJGCVRESA-N 434.378 5.158 30 10 IKEE C=CCCC1([C@@H](O)Cc2cccc(Cl)c2Br)CN(C(=O)OC(C)(C)C)C1 2266303046 RTHMGZVBRZKVPA-INIZCTEOSA-N 444.797 5.209 30 10 IKEE O=C(C#Cc1ccc(Br)cc1)c1cccc(Br)c1Br 2278789038 FRWQTYJCQZKGTK-UHFFFAOYSA-N 442.932 5.209 30 10 IKEE CC1(C)OB(c2ccccc2NC(=O)Nc2cccc(OCc3ccccc3)c2)OC1(C)C 2282749219 VEJKXJAPRFQMPU-UHFFFAOYSA-N 444.340 5.209 30 10 IKEE C=CCCCCC[C@H](OCCCN)c1scc(Br)c1Br 2294057821 YWAXQKNHUXYBQX-ZDUSSCGKSA-N 425.230 5.816 30 10 IKEE CCc1ccc(N=C2SC(=Cc3ccc(C(=O)O)cc3)C(=O)N2C2CCCCC2)cc1 2296463308 LACFZZDKSVRHSI-UHFFFAOYSA-N 434.561 5.884 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)c4ccc(OC)c(OC)c4)ccc3C2=O)cc1 2296867852 AWNRBKFZOYCAGD-UHFFFAOYSA-N 430.456 5.102 30 10 IKEE O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccccc2Cl)C1=C(O)c1ccc(Cl)cc1 2296931513 RWZHOZJUQOQWQP-HXUWFJFHSA-N 439.298 5.010 30 10 IKEE CCCCCCCC1=NN2C(=N)C(=Cc3cc(C)n(-c4ccccc4)c3C)C(=O)N=C2S1 2297468659 MUPAGQNIADXBRY-UHFFFAOYSA-N 447.608 6.074 30 10 IKEE COc1ccc(C=C2CC[C@]3(C[C@H]4CCCC[C@@]4(O)O[C@@H]3c3ccc(OC)cc3)C2=O)cc1 2297473627 LHZZMHLXKOFUGQ-HLJLCZKJSA-N 448.559 5.477 30 10 IKEE CCOc1ccc2nc3c(cc2c1)CN(Cc1ccc(F)cc1)C(=NCc1ccco1)S3 2297506829 STQKWGYBPXRJFQ-UHFFFAOYSA-N 447.535 6.030 30 10 IKEE COc1ccc(C=NCC[C@@H](c2ccccc2OC)[C@H]2CCOC(C)(C)C2)cc1OC 2297681094 ODWKEQAUZHUXKA-LEWJYISDSA-N 425.569 5.510 30 10 IKEE CCCCCCN1C(=O)C(=O)C(=C(O)c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1OC 2297745696 XSBXVKJSHYYEQI-HSZRJFAPSA-N 437.536 5.014 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2Cc2ccccc2)c1 2314477356 FUGNRLJSNVXWFJ-AREMUKBSSA-N 439.511 5.263 30 10 IKEE COc1ccc(C=C2SC(=Nc3cccc(C(=O)O)c3)N(c3ccccc3)C2=O)cc1 2314548782 WNLLYWNZXWFMQO-UHFFFAOYSA-N 430.485 5.202 30 10 IKEE Cc1csc(C#C[C@H](N)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)n1 2316435772 WCINAYWQRJWMMF-DEOSSOPVSA-N 440.568 5.661 30 10 IKEE Sc1nnc(Cc2cccs2)n1N=Cc1ccc(OCc2ccccc2)c(Cl)c1 2318415370 OVPLLVJZJUTXPI-UHFFFAOYSA-N 440.981 5.334 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2318881374 XJQXFYAEGNSQDK-AQNXPRMDSA-N 447.551 5.543 30 10 IKEE O=[N+]([O-])c1ccccc1C=Nn1c(SCc2c(Cl)cccc2Cl)nnc1C1CC1 2320867808 LDGRJDOSHISMQR-UHFFFAOYSA-N 448.335 5.545 30 10 IKEE CCCCOc1ccc(C=Nn2c(C)nnc2SCc2cc(C)ccc2C)cc1OC 2321157611 CGACXBPVKDUDKJ-UHFFFAOYSA-N 438.597 5.565 30 10 IKEE CSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1N=Cc1cccc(C)c1 2321347560 LQJQBGDCIAAPGH-UHFFFAOYSA-N 435.380 5.509 30 10 IKEE Cc1c(OCc2ccccc2F)ccc2c1OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2321795418 PGCPCSBFTRYRFL-UHFFFAOYSA-N 436.482 6.996 30 10 IKEE CCC(CC)c1nnc(S)n1N=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2321901427 KBXZCKNJRKWASW-UHFFFAOYSA-N 449.407 6.238 30 10 IKEE O=C1C(=Cc2ccccc2Cl)Oc2c1ccc1c2CN(Cc2ccccc2Cl)CO1 2321958277 AGKDCWBSZNWHBO-UHFFFAOYSA-N 438.310 5.962 30 10 IKEE CCc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccccc2Cl)C4)cc1 2321958580 YLCHJZZWOFQVDA-UHFFFAOYSA-N 445.946 6.179 30 10 IKEE CC(C)OCCCN1COc2ccc3c(c2C1)OC(=Cc1ccc(Cl)cc1Cl)C3=O 2322019790 WBABHXSTNBHTJL-UHFFFAOYSA-N 448.346 5.577 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1cccc(F)c1)O3)CN(Cc1cccc(Cl)c1)CO2 2322214261 GGGKWQPMCNICRA-UHFFFAOYSA-N 435.882 5.756 30 10 IKEE COc1ccc(CCN2COc3c(cc4c(c3C)OC(=Cc3ccccc3F)C4=O)C2)cc1 2322288821 HIBNVJAHKFFOIP-UHFFFAOYSA-N 445.490 5.154 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)CCc4ccc(Cl)cc4)cc(C)c3C2=O)cc1 2323105965 RRYPFQWGAOEDFR-UHFFFAOYSA-N 448.902 5.811 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)CCCOc4ccccc4C)c3C)C2=O)o1 2323177374 IDZNXWCQJOXALT-UHFFFAOYSA-N 432.472 5.586 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)c4c(F)cccc4Cl)cc(C)c3C2=O)cc1 2323353926 ZYQLPUVEMVDAGL-UHFFFAOYSA-N 438.838 5.632 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OCc3cccc(C)c3)c(OC)c2)cc1OC 2323441256 SLPRTNVBSBKTOM-UHFFFAOYSA-N 448.515 5.505 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Cl)c1OCc1ccc(C)cc1 2323719520 BBYOCCMNNDSPBX-UHFFFAOYSA-N 428.862 6.410 30 10 IKEE COc1cc(C=NNc2nc(-c3ccccc3)c(C)s2)ccc1OCc1ccc(C)cc1 2323844145 DPDIUSRDULMXHS-UHFFFAOYSA-N 443.572 6.461 30 10 IKEE COc1cc(C=NNc2nc(-c3ccc(C)cc3)cs2)cc(Br)c1OC 2323865091 FSIVQUGMYIUCEV-UHFFFAOYSA-N 432.343 5.344 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OCC(=O)Nc2ccccc2C)c(Cl)c1 2323992480 XWOZKRAEOBMLOF-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE C[C@@H]1CCCN(Cc2c(O)ccc3c2OC(=Cc2ccc(-c4ccccc4)cc2)C3=O)C1 2324066466 PFTJSSWKZLHWET-LJQANCHMSA-N 425.528 5.907 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(F)cc2)c(Br)c1)c1ccc(F)c(F)c1 2324241668 HNZXLAHHKLVJBL-UHFFFAOYSA-N 447.250 6.342 30 10 IKEE Cc1cc(OCCCOc2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1cccc(F)c1)O2 2324555004 GIRFEHTZNBPRAD-UHFFFAOYSA-N 438.882 6.252 30 10 IKEE CCc1ccc(NC(=O)[C@@H](CC)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C)o2)C3=O)cc1 2324820510 QKWRUQXNXKUIRT-JOCHJYFZSA-N 445.515 5.871 30 10 IKEE Cc1cc(OCC(=O)N[C@H](C)c2ccccc2)cc2c1C(=O)C(=CC=Cc1ccccc1)O2 2325020248 OHJDFBXEJLAISV-HXUWFJFHSA-N 439.511 5.424 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccc(F)c(Cl)c3)ccc2C1=O 2325592774 FNRHBJNIPXHPDO-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE CCCCC1CCC(C(=O)Oc2cc(C=CC(=O)c3ccc(CC)cc3)ccc2OC)CC1 2325704461 GJPMHNXYICLABZ-UHFFFAOYSA-N 448.603 7.056 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(Cl)cc3Cl)c2)cc1 2325705958 FDZRXNUGXHVVEA-UHFFFAOYSA-N 425.311 6.671 30 10 IKEE Cc1cc(OCC(=O)Nc2ccccc2Cl)cc2c1C(=O)C(=Cc1cccc(F)c1)O2 2325717992 GZMJYNFBQIBRKM-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE Cc1ccc2oc(=O)cc(COc3ccc4c(c3C)OC(=Cc3ccc(C)o3)C4=O)c2c1 2325741720 KZDPYZTWZAUXLB-UHFFFAOYSA-N 428.440 5.506 30 10 IKEE CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1cccc(OC)c1 2325904134 HPBBDKVRYKMKRV-UHFFFAOYSA-N 438.597 5.466 30 10 IKEE CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccc(C(C)C)cc1 2326099363 AYYIIPCZRZIENT-UHFFFAOYSA-N 428.989 5.855 30 10 IKEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)CCCC[C@]12CCN(C(=O)OC(C)(C)C)C2 2326264716 MTWNBSLXDUEDKO-CLJLJLNGSA-N 442.600 5.089 30 10 IKEE CCOc1c(Cl)cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)cc1Cl 2326349058 LJUQXLJQMLHRRT-UHFFFAOYSA-N 441.771 5.812 30 10 IKEE CCc1nnc(SCc2cccc(C(=O)OC)c2)n1N=Cc1ccc(Cl)c(Cl)c1 2326760182 BSXUFYWMFQVZIX-UHFFFAOYSA-N 449.363 5.108 30 10 IKEE Cc1ccccc1CSc1nnc(COc2cc(F)ccc2F)n1N=Cc1ccco1 2327424437 UUCDTIMLZQQZHZ-UHFFFAOYSA-N 440.475 5.211 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccccc1OCCC 2327571122 GDTIIZGZFQZIHN-UHFFFAOYSA-N 442.972 5.460 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2Cl)n1N=Cc1ccccc1Cl 2327649445 NMKIZLKEESFGFD-UHFFFAOYSA-N 433.364 5.714 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1ccc(OC)c(OC)c1 2328179543 YZEVJPBWOXHJOO-UHFFFAOYSA-N 442.629 5.920 30 10 IKEE Cc1ccccc1CSc1nnc(COc2cccc(C)c2C)n1N=Cc1cccn1C 2328821246 PFTVIHHQSYJTLN-UHFFFAOYSA-N 445.592 5.295 30 10 IKEE Cc1cccc(CSc2nnc(CCOc3ccccc3)n2N=Cc2cccc(F)c2)c1 2329167511 YAIZUNLNGMDLND-UHFFFAOYSA-N 446.551 5.522 30 10 IKEE C(=Nn1c(CCOc2ccccc2)nnc1SCCc1ccccc1)c1cccs1 2329200339 SICRNZXPIAGZIC-UHFFFAOYSA-N 434.590 5.178 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3C)n2N=Cc2ccccn2)c1 2329477804 QGOHHFWKROUWQD-UHFFFAOYSA-N 427.577 5.250 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccco1 2329506578 FGVIHFREYWPOLJ-UHFFFAOYSA-N 436.968 5.793 30 10 IKEE Clc1ccc(CSc2nnc(COc3ccccc3)n2N=Cc2cccnc2)cc1 2329921958 NJDSFSQUGPIITJ-UHFFFAOYSA-N 435.940 5.080 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(C)c3)n2N=Cc2cccc(F)c2)cc1 2329947253 ALDARGZMCWCPMI-UHFFFAOYSA-N 430.552 5.799 30 10 IKEE Oc1ccccc1C=Nn1c(CC2CCCCC2)nnc1SCc1ccc(Cl)cc1 2330283084 YBIVQPWIYVTYHH-UHFFFAOYSA-N 441.000 5.934 30 10 IKEE CCSc1nnc(-c2cccs2)n1N=Cc1ccc(OCc2ccccc2C)cc1 2330569168 RUJSGQCEUNEHJI-UHFFFAOYSA-N 434.590 5.888 30 10 IKEE CCOc1cc(C=Nn2c(SCc3ccc(C)cc3)nnc2-c2ccccc2)ccc1O 2330624118 SOQOATTZSMSTNU-UHFFFAOYSA-N 444.560 5.532 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2[N+](=O)[O-])cc1 2330632670 AUQRCQGRDWXQCR-UHFFFAOYSA-N 446.415 5.181 30 10 IKEE COc1cccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2-c2ccccc2)c1 2330673079 WJYULELEIROYIS-UHFFFAOYSA-N 428.561 5.745 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3c(F)cccc3Cl)c(Cl)c2)cc1 2330747553 BQVZZVFUHFNTBP-UHFFFAOYSA-N 443.301 6.810 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccco3)c(Br)c2)cc1C 2330863128 GGVLMVJTVCTPTK-UHFFFAOYSA-N 441.277 5.474 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2cccc(F)c2)nnc1C1CCCC1 2331048467 JPPQUOWAFWNHFQ-UHFFFAOYSA-N 438.572 6.038 30 10 IKEE FC(F)(F)c1nnc(SCCc2ccccc2)n1N=Cc1ccc(Cl)c(Cl)c1 2331142458 UPPJQSKLFBPXBV-UHFFFAOYSA-N 445.297 5.821 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 2331179211 XQZHLNPUHNRXLL-UHFFFAOYSA-N 441.310 6.507 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2OCC)cc1 2331180311 WKMBGIVFJAINAN-UHFFFAOYSA-N 446.499 5.365 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1ccc(C=CC(=O)c2ccc(C)cc2)cc1Cl 2331259971 AXSREMMAFORHQA-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3)cc2OC)cc1OC 2331293006 IIOYQQIROGHBLM-UHFFFAOYSA-N 446.499 5.065 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)c1cccnc1 2331331186 YREGZGVVROHQFP-UHFFFAOYSA-N 425.843 5.306 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)COCc1ccccc1 2331510394 DWSNJHZHUWUDKY-UHFFFAOYSA-N 444.527 5.837 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(COC)nnc2SCc2cc(C)ccc2C)cc1 2331590986 APVLYUARFFGAJO-UHFFFAOYSA-N 437.613 5.062 30 10 IKEE Cc1ccsc1C=Nn1c(SCc2ccc(Cl)c(Cl)c2)nnc1C(C)C 2331708795 ZMROHYKCIXSIDV-UHFFFAOYSA-N 425.410 6.253 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)CCOc3ccccc3)c(Cl)c2)c(C)c1 2331768667 IDQBYCCYLQGEFV-UHFFFAOYSA-N 448.946 6.536 30 10 IKEE CCCCC(=O)Oc1c(OC)cc(C=CC(=O)c2cc(C)c(OC)cc2C)cc1OC 2331840931 ANWOOWFXBDMCSD-UHFFFAOYSA-N 426.509 5.321 30 10 IKEE C[C@H](CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CCC(=O)C=C1C[C@H]3O)C(=O)O 13512293 SATGKQGFUDXGAX-SLTBQWEQSA-N 430.629 5.632 30 10 IKEE endogenous,in-man Oc1c(Br)cc(Br)cc1/C=N/Nc1c(Cl)cncc1Cl 20615373 LRMNSMOMUNAUIQ-JFQJCAQQSA-N 439.922 5.065 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2O[C@@H](C)CC)cc1 21220314 HUKXAHMBWTVVAI-LRXVAGHRSA-N 433.548 5.267 30 10 IKEE CCOc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(OCC(C)C)cc1)C2 21243664 VUGCEUOAVORCMM-DENIHFKCSA-N 433.548 5.124 30 10 IKEE COc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccc(N(C)C)cc1)C2 21259746 COXYYNZAXCMJID-WHLCRQNOSA-N 439.559 5.741 30 10 IKEE C=CCn1c(SCc2nc(-c3ccc(Cl)cc3)no2)nc2cc(Cl)ccc2c1=O 22038939 JJTIDWBSSGXFRH-UHFFFAOYSA-N 445.331 5.232 30 10 IKEE Cc1ccc(N/C(=N\C(=O)c2ccc(Cl)cc2)NCCc2c[nH]c3ccccc23)c(C)c1 32943036 ZVHLHKFNBNNJLN-UHFFFAOYSA-N 444.966 5.879 30 10 IKEE N#Cc1c(SCc2ccc([N+](=O)[O-])cc2)nc2c(c1C(F)(F)F)CCc1occc1-2 39853014 BWKFMYRWQKNYMF-UHFFFAOYSA-N 431.395 5.531 30 10 IKEE Cc1csc(/N=C2/S/C(=C\c3ccc(Cl)cc3Cl)C(=O)N2c2ccccc2)n1 39865514 MAAJMTSMOHWQGI-FLIKEUPFSA-N 446.384 6.567 30 10 IKEE C=CCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2[C@H]1c1ccc(OCC(C)C)c(OC)c1 39910842 KMLUSHNVDRWSBX-HSZRJFAPSA-N 447.531 5.184 30 10 IKEE C=CCc1ccccc1OCCn1c(CCCCCNC(=O)C(C)C)nc2ccccc21 40211769 VLCMIVPGOGARIG-UHFFFAOYSA-N 433.596 5.329 30 10 IKEE Cc1occc1C(=O)Nc1ccc(C(=O)/C=C/c2c[nH]nc2-c2cccc([N+](=O)[O-])c2)cc1 40464913 GQJFJPZYAOHJOH-JXMROGBWSA-N 442.431 5.035 30 10 IKEE COc1ccc(CC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1 41358196 LNSNEOHXZQMZSQ-QFEZKATASA-N 442.511 5.891 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OC(=O)c4ccccc4F)cc(C)c3C2=O)cc1 62883614 LYXYEBQZCMZYJF-IWIPYMOSSA-N 445.490 5.816 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OCc4cccc(OC)c4)cc(C)c3C2=O)cc1 62957603 BHTLFUBFQIVSRZ-QQXSKIMKSA-N 443.543 6.045 30 10 IKEE C=C(C)COc1cccc(NC(=O)CNc2cccc(C(=O)N[C@H](C)c3ccccc3)c2)c1 66096881 XANBYLMBECVAMQ-HXUWFJFHSA-N 443.547 5.183 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(S(N)(=O)=O)cc1 82057970 HFENGRBBFMJRBK-UHFFFAOYSA-N 438.678 6.534 30 10 IKEE C=CCc1c(Cl)c(Cl)cc(NC(=O)c2ccccc2)c1NC(=O)c1ccccc1 90735476 YPCGQCRLVXQHEL-UHFFFAOYSA-N 425.315 6.227 30 10 IKEE CCCCCCCCCCCCCC(=O)Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1 100442462 QMTYNWUYEWOBCD-XMMPIXPASA-N 430.633 6.235 30 10 IKEE CC(=O)c1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 102904797 MCFRKMOPESMPQG-RKKARLDVSA-N 431.875 5.169 30 10 IKEE CCCCCCCCC[C@H](NCC)c1cc(Br)c(Br)s1 128219742 GFIPDMHMLPUYJF-AWEZNQCLSA-N 425.274 7.064 30 10 IKEE CCOc1cc(/C=N\Nc2nc3ccccc3s2)ccc1OCc1cc(C)ccc1C 169890372 AECIUVARZGPULL-YSMPRRRNSA-N 431.561 6.337 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2Cc2cccs2)c1 169928347 OAULNXZCSONBEZ-QFIPXVFZSA-N 444.512 5.017 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@H]1c1ccccn1)c1c[nH]c2ccccc12 169995753 HMQOXODMAGATLI-VWLOTQADSA-N 445.478 5.499 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCC2)cc1 170033918 JPCPAEQJYQWIFN-QFIPXVFZSA-N 439.939 5.650 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccccc1 170052397 WCVKVONRICBNFY-JOCHJYFZSA-N 447.874 5.160 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccc(F)cc2)c1 170061316 IQKKGUUWLVDBDH-XMMPIXPASA-N 429.491 5.842 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2cccc(O)c2)c1 170079423 QHSUMHULEKXMEZ-RUZDIDTESA-N 441.527 5.915 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2cccc(O)c2)c(C)c1 170080958 OKBVSAXPWVMDQH-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2cccc(O)c2)c1 170081444 QOEMCTBUUMKNJR-JOCHJYFZSA-N 433.891 5.445 30 10 IKEE Cn1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2)c2ccccc21 170084003 XMLHPZULTGUFCN-QHCPKHFHSA-N 426.447 5.100 30 10 IKEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccco1)c1cccc(Cl)c1 170098136 CEZIDSROIRNHBV-SFHVURJKSA-N 436.876 5.326 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2ccccc2)cc1 170113621 KBOUEKYNLXKBAV-VWLOTQADSA-N 435.479 5.631 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)cc1C 170159724 HTPVRFDRDYCSRL-QFIPXVFZSA-N 433.529 5.547 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccncc2)c1 170202630 YDZXGPWAGZUXIN-RUZDIDTESA-N 438.527 5.360 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(F)cc2)cc1 170239988 KUVVNKIANNOWMY-UPCLLVRISA-N 443.474 5.240 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@H]1c1ccc(C(C)C)cc1 170245434 DHKFNAGVGMTLSA-JOCHJYFZSA-N 441.955 5.850 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(Cl)c3)[C@@H]2c2ccco2)cc1 170283341 VLIROICNOWXHLY-FQEVSTJZSA-N 442.298 5.932 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccco2)c1 170289035 DLJWPQMVCUDVAF-HSZRJFAPSA-N 425.440 5.230 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccc(C)o2)c1 170300080 HFVJPNNNPMLDTM-DEOSSOPVSA-N 445.515 5.775 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2sccc2C)ccc1F 170313608 QRLDMYZNHIWMGL-LJQANCHMSA-N 425.456 5.426 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2sccc2C)cc1C 170314742 OKTLUYHKJXWLCB-OAQYLSRUSA-N 449.528 5.170 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(Cl)cc2)cc1Cl 170375732 SMBMDSZCYDZFGJ-LJQANCHMSA-N 444.339 6.146 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2cccc(C(F)(F)F)c2)o1 170424685 KBXOZHXPTURDBY-FQEVSTJZSA-N 441.405 5.385 30 10 IKEE N#CC1(C#N)[C@H](c2ccccc2)[C@H](C(=O)c2ccsc2)N2c3ccc(Cl)cc3C=C[C@H]21 229809106 UBBBVGJLBBETIZ-YTFSRNRJSA-N 441.943 5.686 30 10 IKEE C=CCCCCCNc1c(Br)cc(Br)cc1Br 232479137 IPBAIZSHPMSDTB-UHFFFAOYSA-N 425.990 6.132 30 10 IKEE Cc1ccc(NC(=O)C[C@H]2SC(=NN=C(/C=C\c3ccccc3)C3CC3)N=C2O)cc1 252617211 KOOIHWWTGDBETJ-RGAUGRBPSA-N 432.549 5.231 30 10 IKEE CN(c1ccc([N+](=O)[O-])cc1C=Nc1ccc2c(c1)oc1ccccc12)C1CCCCC1 254708927 UGFITLSNCZNJIC-UHFFFAOYSA-N 427.504 7.014 30 10 IKEE Cc1ccc(N=C2S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2cccc(C)c2)cc1 254821366 YVQQMXWUYNEEDA-VUQCETKJSA-N 443.597 6.482 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(OC)cc2)cc1 526487461 YTMAYLVEJGGEKX-VWLOTQADSA-N 440.499 5.413 30 10 IKEE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccccc2C#N)[C@H]1c1cccc(F)c1 526609011 LXQPYEOZBNXYLY-QHCPKHFHSA-N 444.462 5.162 30 10 IKEE CCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1ccc(O)c(Br)c1 526809483 GPMUBBCMXKLMCP-JJFYIABZSA-N 445.386 5.100 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2cccc(O)c2)c(C)c1 526812004 FOLZXZVMGLLAIQ-PKAZHMFMSA-N 442.588 5.560 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1ccc(C(C)C)cc1 526813914 DUPYNLRKOUNLSX-MSXFZWOLSA-N 433.408 6.445 30 10 IKEE N#Cc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccccc2F)cc1 526823809 UTPLWDSQHBMUHT-YUMHPJSZSA-N 427.508 5.054 30 10 IKEE CCOc1cccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2cccc(F)c2)c1 526825847 LYZRWSZDKRFDSJ-PKAZHMFMSA-N 446.551 5.581 30 10 IKEE CC(C)[C@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Br)c2)CC1 698496741 IUGAQIHAESRHJI-JTSKRJEESA-N 435.406 6.689 30 10 IKEE CCCCCCCCC[C@H](NC)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 702451409 UJEDKRAWQNHCMJ-ZEQRLZLVSA-N 433.681 5.740 30 10 IKEE O=C(COc1ccc(C=Nc2ccc(Br)cc2)cc1)Nc1cccc(Cl)c1 725380817 VDFBISKHNRFJLK-UHFFFAOYSA-N 443.728 5.871 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3ccc(Cl)cc3)n2)cc1 1084044996 IPPFBICZBDZRRT-AWEZNQCLSA-N 442.976 5.148 30 10 IKEE O=C(CSc1nc2ccc(N=Cc3ccc(F)cc3)cc2s1)NCc1ccccc1 1084410152 IEAVQNKLJWNJJW-UHFFFAOYSA-N 435.549 5.595 30 10 IKEE CCCCCCCCCCCC(=O)[C@@H](CCSC)NC(=O)c1ccc(Cl)cc1 1615217258 QLEOHQJQURCBOC-OAQYLSRUSA-N 426.066 6.682 30 10 IKEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCc2cc(F)cc(C)c2C1 1749404029 PNHKAQYNDGIYOV-UHFFFAOYSA-N 425.577 5.000 30 10 IKEE C=CCN1C(=O)/C(=C(/C)c2ccc(N)cc2)SC1=Nc1nc(-c2ccccc2)cs1 1772739300 SQUNTQLLUGWLLD-SUYASHRRSA-N 432.574 5.572 30 10 IKEE C/C(=C1/SC(=Nc2nc(C)cs2)N(C2CCCCC2)C1=O)c1ccc(C)c(C)c1 1772739816 VAZHJIUEEXXRMZ-OUEZZHHQSA-N 425.623 6.395 30 10 IKEE C=CCN(CC=C)C(=O)c1oc2cc(OC)ccc2c(=O)c1-c1ccc(Cl)cc1Cl 1859774169 FCFGWUNGCUIWLO-UHFFFAOYSA-N 444.314 5.590 30 10 IKEE N#Cc1ccccc1NC(=O)c1ccc(NC(=O)/C=C/c2ccc(Br)cc2)cc1 1860915916 QBWJYVSVDNODMV-VGOFMYFVSA-N 446.304 5.225 30 10 IKEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)Cc1cc(OC)ccc1Cl 1860978261 AYIKHZQIEDEGNO-UHFFFAOYSA-N 425.013 5.043 30 10 IKEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)Cc1ccc(OCCC)c(C)c1 1860984344 PFQYYLPVCAQHOC-UHFFFAOYSA-N 432.649 5.478 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc(C)c2)cc1 1862389343 DDCQRDORMFGNFB-VWLOTQADSA-N 431.576 6.249 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2ccccc2)cc1C 1862400373 CEFLWESVYUGVTB-XMMPIXPASA-N 427.500 5.091 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(F)cc1F 1862416706 JIFPZMYXVKTMHL-SIJSFFJVSA-N 447.428 5.400 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(C)cc1 1862429716 SYCLWJCATYRLCS-AUSIDOKSSA-N 439.983 6.586 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2[C@H](C)CC)cc1 1862437027 IATSBERTSGEUHA-QVKFZJNVSA-N 427.928 5.506 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1c(Cl)cccc1Cl 1862466983 FOTYZSMPVKTNNI-QGZVFWFLSA-N 442.220 5.175 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(C(F)(F)F)cc2)c1 1862562647 KMFFJHPAVXRWQZ-HXUWFJFHSA-N 444.453 5.199 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862567753 ZTFZSCFXNXUOPS-HXOBKFHXSA-N 436.552 5.215 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCc2ccc(C)cc2)cc1 1862590627 MFGAZGGXUAICFQ-VWLOTQADSA-N 441.527 5.084 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1cccc2ccccc12 1862620621 VXZGQYZORVDHBZ-XMMPIXPASA-N 427.544 6.126 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccccc1 1862620954 FHHWECHKEZDDPA-HSZRJFAPSA-N 435.520 5.354 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1c(Cl)cccc1Cl 1862633910 QXMRERASULJEEM-WLRWDXFRSA-N 448.302 5.099 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(C)cc1 1862649290 VEWMZOZMVWJOMB-DEOSSOPVSA-N 429.516 5.153 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccc(F)cc1)c1ccc2ccccc2c1 1862716058 WYQIYBTWQNOGIU-RUZDIDTESA-N 443.518 6.280 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccccc3Cl)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1863029446 ONLZFXUQQDAOGO-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CCCCCCCCN1C(=O)C(NCCc2ccccc2)=C(c2ccc(C)c(C)c2)C1=O 1863607953 POZIDUUYKOFQJB-UHFFFAOYSA-N 432.608 5.576 30 10 IKEE CCC[C@@H](NC(=O)C[C@@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccccc1C#N 1866738657 GHBQNWGFYOYPDH-ILBGXUMGSA-N 433.596 5.735 30 10 IKEE Cc1ccccc1-c1nc(Nc2ccccc2C#N)cc(N2CCO[C@@H](c3cccnc3)C2)n1 1868307842 WVWSDXBWSFTAOW-XMMPIXPASA-N 448.530 5.040 30 10 IKEE N#Cc1nnn(Cc2c(Cl)ccc(Cl)c2Cl)c1NC(=O)c1ccccc1Cl 1870105564 YVNXOPCQHGVWFG-UHFFFAOYSA-N 441.105 5.064 30 10 IKEE Cc1ccccc1-c1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(C(F)(F)F)cc2)cc1 1870149004 GBSVGNXFGNPGPJ-UHFFFAOYSA-N 447.420 5.386 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc(C)c2)cn1Cc1ccccc1Cl 1870619652 RDSNATBEUZLLDL-UHFFFAOYSA-N 448.994 5.611 30 10 IKEE C=CCn1cc(OCCCOc2ccc(Cl)cc2)c(=O)cc1CN(CC)CCCC 1870778647 HSHWZQZELDKBAR-UHFFFAOYSA-N 432.992 5.158 30 10 IKEE CCCCCCCCn1cc(OCC(=O)NC(C)C)c(=O)cc1CNc1ccccc1C 1870945570 TXKBHMMGKNDFMD-UHFFFAOYSA-N 441.616 5.033 30 10 IKEE COc1ccc([C@@H](C)N2COc3c(cc4c(c3C)O/C(=C\c3cccs3)C4=O)C2)cc1 1871358910 FBDDOQOKRWKWHK-YSUUHWHMSA-N 433.529 5.594 30 10 IKEE CC(C)=C1Oc2cc(OC(=O)/C=C/c3ccc(OCc4ccccc4)cc3)cc(C)c2C1=O 1871365272 RYKCDJQJMKTHBQ-SDNWHVSQSA-N 440.495 6.062 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4c(F)cccc4Cl)c3C)C2=O)cc1 1871375430 LAHDTBPZYBMMEC-NDENLUEZSA-N 438.838 5.632 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OC(=O)/C=C/c4ccccc4)c3C)C2=O)c1OC 1871385503 WQDRARCDRULDMW-WULFHVAMSA-N 442.467 5.247 30 10 IKEE COc1ccc(OCCCOc2ccc3c(c2C)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871415659 NHNREKXYKYNTEK-JLPGSUDCSA-N 434.463 5.607 30 10 IKEE CCCC[C@@H](Oc1ccc2c(c1C)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O)C(=O)O 1871422784 CWDQGRMJUGBWCR-KRFWEUHSSA-N 442.511 6.300 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(OC)cc2)[nH]c(N2C[C@H](C)C[C@@H](C)C2)n1 1871561334 GVLGNBVAFNSQOT-WOJBJXKFSA-N 440.636 5.300 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 1871757560 BEYFIDIICWZFJQ-NRFANRHFSA-N 434.989 5.023 30 10 IKEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1872091677 CJTKJTLPUPFVTF-QHCPKHFHSA-N 442.625 5.158 30 10 IKEE C=C(C)CN([C@H](C)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872433975 WAYFMEJRGKAYQU-HXUWFJFHSA-N 428.598 5.021 30 10 IKEE CCc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3C(=O)c3ccccc3)n2)cc1 1872761361 LTVCLVDPLYEKOW-HSZRJFAPSA-N 436.536 6.094 30 10 IKEE CCCCCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1 1872764828 ZCYGADSCAOSBEL-QFIPXVFZSA-N 434.561 6.268 30 10 IKEE COc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 1872765815 XPXPXYHURJYTOT-PPCLGBEZSA-N 439.334 5.471 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)c2ccc(F)c(F)c2F)n1 1872777147 HKMCNUZCZDXTKW-HNNXBMFYSA-N 444.478 6.024 30 10 IKEE N#C[C@H](C(=O)Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(Cl)s2)cs1 1872789813 VVGTZQWEWXCGNI-SNVBAGLBSA-N 427.765 6.251 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1 1872859349 MOKFJCIKPXIXDF-UHFFFAOYSA-N 443.631 7.803 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(OC)cc2C)cc2c(N(CCC)CCCC)ncnc21 1873659207 GPGDNJDGOXKGCT-UHFFFAOYSA-N 435.572 5.203 30 10 IKEE Cc1[nH]c2ccc(F)cc2c1CCNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1873767501 NZEDCHMBYVIVMC-UHFFFAOYSA-N 432.339 5.626 30 10 IKEE Cc1cc2oc(=O)c(CC(=O)Nc3ccc(C#N)cc3)c(C)c2c2occ(-c3ccccc3)c12 1873866794 FLDHDBLYRHHASD-UHFFFAOYSA-N 448.478 5.876 30 10 IKEE CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccc(CC)cc1 1874217022 QJNAWNDXRMTASW-ZMOGYAJESA-N 428.989 5.684 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1cc(C)ccc1O 1874252579 SSKPABAVUOXNBX-MFKUBSTISA-N 436.581 5.163 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1cccc(OC)c1 1874258238 QVSOJCXKPMOXHJ-MFKUBSTISA-N 436.581 5.369 30 10 IKEE CCCSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1ccccc1OC(C)C 1874261577 WNAITUZJDZNKSY-DHRITJCHSA-N 446.523 5.307 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OC)cc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874349858 IGFWCDVYHNHHDF-LGJNPRDNSA-N 446.498 5.447 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3cccs3)n2/N=C/c2ccncc2)c1 1874371118 JUKFBOIPZYWUTJ-MFKUBSTISA-N 433.606 5.311 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(Cc3cccs3)n2/N=C/c2cccs2)cc1 1874411969 UVPLPBQEFZKOHU-UDWIEESQSA-N 441.563 5.075 30 10 IKEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3ccccc3F)nnc2-c2ccccc2)c1 1874425851 DSUWCQFQCUZGMQ-CVKSISIWSA-N 445.523 5.006 30 10 IKEE CCOc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2-c2ccccc2)cc1 1874428466 KJNPQIKNGVCUCW-LGUFXXKBSA-N 428.561 5.561 30 10 IKEE CC(C)Cc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc(C(C)(C)C)cc1 1874489793 KYBLGSHGWACKLM-CVKSISIWSA-N 441.044 6.602 30 10 IKEE CCOc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2ccccc2F)cc1OC 1874489889 PPWAXIQFESXURG-AFUMVMLFSA-N 442.560 5.198 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(CC(C)C)nnc2SCc2c(Cl)cccc2Cl)c1 1874490889 PNAXVPFMYOYZFO-BHGWPJFGSA-N 449.407 5.972 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CCC)nnc2SCc2ccccc2)cc1OC 1874507675 OSNHOBYXVVXLQO-KOEQRZSOSA-N 438.597 5.593 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(OC)cc1OC 1874510426 NEXRLDPTRHDMBU-YDZHTSKRSA-N 430.961 5.076 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(C)C)n2/N=C/c2ccc(Cl)c(Cl)c2)c1 1874513969 ZKPPHDPFUNNRPX-BHGWPJFGSA-N 433.408 6.500 30 10 IKEE CCc1nnc(SCc2ccccc2)n1/N=C/c1ccc(OCc2ccc(C)cc2)cc1 1874527019 SBKFBSOFAVEXMU-WPWMEQJKSA-N 442.588 5.902 30 10 IKEE Cc1ccc(COc2ccc(/C=N/n3c(C)nnc3SCc3ccccc3F)cc2)cc1 1874532523 NSTCJCZMIRJZLO-JFLMPSFJSA-N 446.551 5.788 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1c(OCCc2ccccc2)ccc2ccccc12 1874586077 UYPLDFJKGYSAIE-CCEZHUSRSA-N 436.551 6.983 30 10 IKEE COC(=O)c1ccc(COc2cccc(/C=C/C(=O)c3ccc(Cl)cc3Cl)c2)o1 1874593743 ZOXLTLOQLIZDLQ-WEVVVXLNSA-N 431.271 5.848 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3ccc(Cl)cc3Cl)c2)cc1 1874594247 ZZOKENWTPOZZRE-WUXMJOGZSA-N 441.354 7.040 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OCC(=O)Nc1ccccc1C 1874597540 RWVRSMVGWWFJPQ-OQLLNIDSSA-N 443.543 6.041 30 10 IKEE CCc1ccccc1NC(=O)COc1cccc(/C=C/C(=O)c2cc(C)c(OC)cc2C)c1 1874600946 KXPKAIOGKDJOHH-BUHFOSPRSA-N 443.543 5.788 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1)c1ccc(Cl)cc1Cl 1874605990 PGGQLDYKTRVOJX-YCRREMRBSA-N 435.709 7.261 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3cccc(C)c3)c(OC)c2)cc1 1874613617 DRNONIBVQCGLPO-NTEUORMPSA-N 432.516 5.886 30 10 IKEE CCOc1ccc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1Br 1874636979 BZIGRSBSRXIYHC-GQCTYLIASA-N 430.125 6.059 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OC(=O)c1c(F)cccc1Cl 1874700873 QNKTUSRUOZYVPK-VZUCSPMQSA-N 445.273 6.256 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccccc3-c3ccccc3)c2)cc1 1874701148 DSQRMLREZLJMOV-HMMYKYKNSA-N 448.518 6.868 30 10 IKEE COc1ccc(CC(=O)Oc2cc(/C=C/C(=O)c3ccc(C)cc3C)ccc2OC)cc1 1874701174 FUORWULHTQYGTQ-MDWZMJQESA-N 430.500 5.365 30 10 IKEE COc1ccccc1CC(=O)Oc1cccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1 1874703082 YFSGWGFJOOAUIB-FMIVXFBMSA-N 441.310 6.046 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OC(=O)CCOc1ccccc1 1874703499 SYFGNNFTGYHUKF-ACCUITESSA-N 430.500 5.583 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1OC(=O)c1cccc(Cl)c1 1874705992 KHUKREQAEADYRN-RIYZIHGNSA-N 448.946 6.761 30 10 IKEE COc1ccccc1CC(=O)Oc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC 1874713690 JUIYZZWWUFDFBA-JLHYYAGUSA-N 430.500 5.365 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(F)c(C)c3)c2)cc1Cl 1874717045 WQTQQMILTMNULG-JXMROGBWSA-N 438.882 5.840 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3)c([N+](=O)[O-])c2)cc1 1875101629 XSRJXFOHJHHUCN-XNTDXEJSSA-N 429.472 5.592 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3F)cc2Cl)cc1C 1875120929 QNVNYZOKFAELTH-WEVVVXLNSA-N 440.873 6.279 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2Cl)c1 1875125988 KSDYZIVDMSXOAL-VZUCSPMQSA-N 427.283 6.117 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2Cl)c1 1875127860 BPOGDMGIPWAELW-DHZHZOJOSA-N 436.891 5.401 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3F)c(OC)c2)cc1 1875130963 AAPVLYRETVINTH-RIYZIHGNSA-N 434.463 5.277 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)c3ccccc3)c(OC)c2)cc1 1875131474 ZTIJGVFJQULQMG-OUQXZNHLSA-N 430.500 5.699 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 1875140129 RAIMIEAKGDULTC-ACCUITESSA-N 445.471 5.726 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1OCC 1875146173 HWVHKUMYCQCXHC-VQHVLOKHSA-N 444.911 5.502 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1F 1875152494 FGIRAXBACWDTGO-XNWCZRBMSA-N 445.273 6.256 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)c1sccc1C 1875166941 VVKMCQGGEWIOEO-RMKNXTFCSA-N 436.529 5.806 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2OC)cc(Cl)c1OC(=O)CC(C)C 1875176798 QXIVNRRQTSXADW-JXMROGBWSA-N 446.927 5.604 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3ccccc3)cc2)c(OC)c1 1875179206 VYVJSEVYXCUUEW-SFQUDFHCSA-N 446.499 5.365 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccco2)c([N+](=O)[O-])c1 1875180748 WMIFCFGSARXFMF-FNORWQNLSA-N 441.823 5.274 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3cccc4ccccc34)cc2)c(C)c1 1875182876 ZETMKPQXSIXDHZ-DTQAZKPQSA-N 434.535 6.809 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc(Cl)c1OC(=O)COC 1875184995 BBXPJYDLAUIIHR-PKNBQFBNSA-N 444.955 5.793 30 10 IKEE CCCC(=O)Oc1c(OCC)cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc1[N+](=O)[O-] 1875190290 RTWODSZOHISCSR-MDZDMXLPSA-N 441.480 5.221 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)Cc3c(Cl)cccc3Cl)cc21 1890582489 ATGUJHISLGJLHJ-UHFFFAOYSA-N 433.335 5.112 30 10 IKEE C[Si](C)(C)C#CCSc1cc(I)ccc1Br 1900817146 ASSFOSAFCINXHI-UHFFFAOYSA-N 425.205 5.027 30 10 IKEE CCC[C@@](C#N)(CNC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)c1ccccc1OC 1944409539 ZVXPYEOHAWSTNA-HSZRJFAPSA-N 433.549 5.024 30 10 IKEE CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(CC(C)C)C(=O)OC(C)(C)C 1944819426 IVVYHLASZUAXGO-DVECYGJZSA-N 437.625 5.445 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1982205469 NKFARTWNDRRALP-NYHFZMIOSA-N 435.952 5.279 30 10 IKEE C#CCN(CC(C)C)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)CC 1984779071 OUMMZBHGBQLPQR-IBVKSMDESA-N 446.591 5.058 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@]1(NC(=O)OC(C)(C)C)CC[C@H](CC)CC1 2018517519 ZJHNKIJXLDMZCY-WHSBFGAESA-N 430.633 5.601 30 10 IKEE C=C(CCNC(=O)OC(C)(C)C)CN[C@H](C)C[C@@H]1CCCCCN1C(=O)OC(C)(C)C 2020331121 BIKBJPRBBDKPRO-UXHICEINSA-N 439.641 5.005 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCC[C@H]1CNC(=O)OC(C)(C)C 2032217808 SWAPUHJXBWIJKU-UQBPGWFLSA-N 443.588 5.714 30 10 IKEE CCC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(OC)cc1 2033624883 WWLSBBFUDWXSJU-FXAWDEMLSA-N 447.576 5.270 30 10 IKEE CC1(C)OB(c2ccc(CN(CCC(F)(F)F)Cc3ccccc3)c(F)c2)OC1(C)C 2034721263 ROWNWQDADYJKDC-UHFFFAOYSA-N 437.286 5.080 30 10 IKEE COC1CC(C#N)([C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1 2071349831 SORYFBQBUBVSMJ-VJZLMVMKSA-N 429.516 5.197 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2073117752 FZGLHDWZPMCVHG-QUCCMNQESA-N 443.588 5.664 30 10 IKEE Cc1ccc([C@H](C(C)C)n2nc(C(F)(F)F)c(C#N)c2I)c(C)c1 2079083098 WXOUBNWJFJNPPI-AWEZNQCLSA-N 447.242 5.240 30 10 IKEE CC(C)(C)c1nn(Cc2ccc(C(F)(F)F)cc2F)c(Br)c1C(F)(F)F 2079835704 LBCDXZPCQXBIDD-UHFFFAOYSA-N 447.192 6.168 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)C1CCC(F)(F)CC1 2087489910 BDTYSRNCWDLKID-INIZCTEOSA-N 429.305 5.908 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NC)c2cc(C)cc(Br)c2F)C1 2126684750 KKJCDYHOHYWFEE-QGZVFWFLSA-N 427.358 5.018 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)c(C)c(Br)c1)NCCC 2126701248 XDNQRVWBICWAMG-ZWKOTPCHSA-N 445.829 5.401 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(O)ccc1Br 2144512071 IWESROKOBQBROW-QGZVFWFLSA-N 433.302 5.170 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)ccc(F)c1Br 2159127119 CKUPCVVDGCEVLJ-CRAIPNDOSA-N 445.348 5.075 30 10 IKEE CC(C)(C)OC(=O)N[C@H](CNc1cc(Br)cc(F)c1C#N)c1ccccc1 2163707976 LVXXHASBWIIVGQ-GOSISDBHSA-N 434.309 5.138 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCC)c2cc(Cl)c(Cl)cc2Cl)C1 2201279981 BYFGGLVJDNMVAC-QGZVFWFLSA-N 433.807 6.159 30 10 IKEE C=CCCCCCCCC[C@@H](O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2207395888 IABJYHDAHVRGGT-HXUWFJFHSA-N 440.422 7.136 30 10 IKEE C=CCC[C@H](NCCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229125967 KHJUVOHBNRNEKF-OALUTQOASA-N 425.411 5.219 30 10 IKEE Cc1cccc2c1CC[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2240162451 QRYZMZAURMLKEX-QFIPXVFZSA-N 427.342 5.864 30 10 IKEE CC(C)(C)OC(=O)NC[C@]1(C)CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2249882849 JLEXDUAKUNELOQ-ZEQRLZLVSA-N 429.561 5.405 30 10 IKEE CCCN(Cc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(C(F)(F)F)c1 2267515855 UYZBZUQGVXRESU-UHFFFAOYSA-N 447.306 5.057 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CCC[C@H](C1)[C@H]2Nc1ccc(Br)c(C#N)c1 2285787129 DWWPFMGVVRWUIZ-IZODXCKJSA-N 434.378 5.205 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(F)cc(Br)c1F 2288354818 OFQOAWNRZPJECB-SJLPKXTDSA-N 445.348 5.075 30 10 IKEE N#Cc1ccccc1COc1ccccc1C=C1SC(=Nc2ccc(F)cc2)NC1=O 2293999075 UKKFGOBBEURFNA-UHFFFAOYSA-N 429.476 5.168 30 10 IKEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)C=Cc3c(F)cccc3Cl)c2C#N)C1 2295399948 PDUHGYQQRGTWGW-AWEZNQCLSA-N 430.976 6.605 30 10 IKEE Cc1ccc(N=C2NC(=O)C(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)S2)c(C)c1 2296463305 IWXOANAZMTURTK-UHFFFAOYSA-N 433.489 5.672 30 10 IKEE O=C1C(=Cc2ccc(F)cc2)SC(=S)N1N=Cc1ccc(-c2ccccc2Cl)o1 2296835669 OAQYHCADWPXUEV-UHFFFAOYSA-N 442.924 5.974 30 10 IKEE CC(C)(C)N=C1[C@@H](N2CCSCC2)C(C)(C)C(=S)N1c1cccc(C(F)(F)F)c1 2297382636 VYVNJZHNYZKNOM-MRXNPFEDSA-N 443.604 5.493 30 10 IKEE CCOc1cc(C=C2SC(=Nc3ccccc3)NC2=O)ccc1OCc1ccccc1F 2313507460 OADIPCDMIGAEJI-UHFFFAOYSA-N 448.519 5.695 30 10 IKEE C=CCOC(=O)C=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 2314014554 QXTVNFYADUUBJE-UHFFFAOYSA-N 442.136 6.077 30 10 IKEE C=CCOc1ccc([C@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1 2314477056 AKIOCRPXDFDKCH-VWLOTQADSA-N 441.483 5.023 30 10 IKEE CCOc1ccc2c(c1)OC(=Cc1cccc(OCC)c1OC(=O)C1CCCCC1)C2=O 2314527320 PJIFKLFRCFCFIL-UHFFFAOYSA-N 436.504 5.586 30 10 IKEE FC(F)(F)c1cccc(C=Nn2cnnc2SCc2c(Cl)cccc2Cl)c1 2318571414 KCQIQLGYSUATFK-UHFFFAOYSA-N 431.270 5.778 30 10 IKEE Cc1cc(OCc2ccccc2Cl)cc2c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O2 2321762268 GXXJVOQUTBCQKA-UHFFFAOYSA-N 432.947 7.141 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2cccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1 2323099573 TYMXJVSODGLCOC-UHFFFAOYSA-N 430.460 5.125 30 10 IKEE Cc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)cc1C 2323248391 LWHDLTWMSDTVBL-UHFFFAOYSA-N 429.428 5.355 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1cccs1)C2=O)c1ccc([N+](=O)[O-])cc1Cl 2323302188 VMNQIYXFHPCPBQ-UHFFFAOYSA-N 427.821 5.145 30 10 IKEE C=C(C)COc1c(OCC)cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-] 2323352802 VVHYEWBBPABJFH-UHFFFAOYSA-N 443.499 6.512 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(OC)c(OCc3ccccc3)c(OC)c2)cc1 2323536579 NAXXLDKKHYIJOI-UHFFFAOYSA-N 430.544 6.522 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OCc1ccccc1 2324058943 YMLHAAXPRLOVDW-UHFFFAOYSA-N 430.544 6.476 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1Cl 2324241427 DWPAZUYWDRNVAO-UHFFFAOYSA-N 435.898 5.542 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(O[C@@H](C)C(=O)Nc3ccccc3Cl)c2C)C1=O 2324397322 ABSJEMIIUAQISG-KRWDZBQOSA-N 447.918 5.979 30 10 IKEE CC(C)c1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccccc4)ccc3C2=O)cc1 2324400535 TVJVWPVBORXIDC-GOSISDBHSA-N 427.500 5.832 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCC(=O)N[C@H](C)c4ccccc4)c3C)C2=O)cc1 2325020051 SDEXQJABCBQEKE-LJQANCHMSA-N 427.500 5.176 30 10 IKEE Cc1ccsc1C=C1Oc2cc(O[C@H](C)C(=O)Nc3c(C)cccc3C)cc(C)c2C1=O 2325145655 VPJXXKXSACOTQU-GOSISDBHSA-N 447.556 6.004 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccccc1Cl 2325564626 FPJJRKKMJMTETG-UHFFFAOYSA-N 439.799 6.365 30 10 IKEE COc1cccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(Cl)c(Cl)c3)c2)c1 2325707378 DLHHLGAIHSEPFU-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cccc(Br)c3)c2)c(C)c1 2325736166 BXUJWABGTMCAIZ-UHFFFAOYSA-N 435.317 6.181 30 10 IKEE CCCOc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3cc(C)ccc3OC)c2)cc1 2325743233 FHRJUORSTSBFJY-UHFFFAOYSA-N 444.527 5.837 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cccc(OC(=O)c2ccc(F)cc2F)c1 2325763552 BCRVFFVEOLUQBK-UHFFFAOYSA-N 442.845 6.051 30 10 IKEE CCCCC(=O)Oc1cc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)ccc1OC 2325766370 VXVVLPWVNIGALN-UHFFFAOYSA-N 437.319 6.002 30 10 IKEE CCCOc1c(Cl)cc(C=Nn2c(C)nnc2SCc2ccccc2)cc1OCC 2326211751 ZGIMPDUVGDDFKB-UHFFFAOYSA-N 444.988 5.602 30 10 IKEE Cc1nnc(SCc2ccc(Br)cc2)n1N=Cc1cccc(OC(C)C)c1 2326615509 DKSIIFIJKLBAFP-UHFFFAOYSA-N 445.386 5.311 30 10 IKEE C=CCSc1nnc(COc2ccc(OCC)cc2)n1N=Cc1ccc(C(C)C)cc1 2326684157 LZOXPEFNMJZEBC-UHFFFAOYSA-N 436.581 5.540 30 10 IKEE CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccc(OC)c(OC)c1 2326900812 MYRMZVSFTIHPHN-UHFFFAOYSA-N 440.613 5.048 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2C)n1N=Cc1cn(C)c2ccccc12 2327117223 VKNCQGXODPLDDX-UHFFFAOYSA-N 447.608 5.474 30 10 IKEE CCCSc1nnc(COc2c(C)cccc2C)n1N=Cc1c(F)cccc1Cl 2328559599 VMJINHSDSSBNDU-UHFFFAOYSA-N 432.952 5.651 30 10 IKEE C=CCOc1ccccc1C=Nn1c(COc2ccc(C)c(C)c2)nnc1SCCC 2328798677 MFBQSKIKSGCFJV-UHFFFAOYSA-N 436.581 5.423 30 10 IKEE CCCSc1nnc(COc2ccc(C)cc2C)n1N=Cc1c(F)cccc1Cl 2328904692 BEEYFVSCAQZMDX-UHFFFAOYSA-N 432.952 5.651 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccc(F)cc2)n1N=Cc1ccccc1O 2330063926 HGEQZEVVMSWKDY-QGZVFWFLSA-N 432.524 5.449 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccccc1 2330084146 VEHCDVDPHJMVRN-GOSISDBHSA-N 443.532 5.513 30 10 IKEE COc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1ccccn1 2330615511 TWEOXIZVPGGRHX-UHFFFAOYSA-N 435.479 5.873 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OC(=O)C1CCCC1 2330635192 RPGPSRQHIUOHQE-UHFFFAOYSA-N 443.883 5.639 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OC(=O)CC(C)(C)C 2330636096 GXBZJTAECGGZHA-UHFFFAOYSA-N 445.899 5.885 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3ccc(C)c(C)c3)c(OC)c2)cc1 2330736945 FPNBHJIJBXWPOU-UHFFFAOYSA-N 448.946 6.643 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3ccccc3)c(OC)c2)cc1 2330824376 UTRXJMSXGQEEKU-UHFFFAOYSA-N 448.946 6.807 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)Cc1cccs1 2330896120 RNVPELDISAFZHD-UHFFFAOYSA-N 447.339 6.108 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)cc2)cc(OC)c1OC(=O)c1cccc(F)c1 2330986808 PLFLLBDNIAWINR-UHFFFAOYSA-N 446.474 5.687 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)CC1CCCCC1 2331040606 MPNWRNBQCORFGQ-UHFFFAOYSA-N 437.492 5.765 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)Cc2ccc(F)cc2F)c(Cl)c1 2331059377 RHTXHGLDCFFHAD-UHFFFAOYSA-N 442.845 5.671 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Br)c1OC(=O)C(C)C 2331152008 VMNAXLKWUQZDIV-UHFFFAOYSA-N 437.717 5.569 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)c1ccccn1 2331232463 OGEYTXAYMDYRDR-UHFFFAOYSA-N 427.500 5.551 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 2331236541 DAFLBGRQYLBZAD-UHFFFAOYSA-N 445.471 5.644 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3OC)c(OC)c2)cc1 2331311942 NSTKYOHZVDZOAV-UHFFFAOYSA-N 446.499 5.608 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)COc1c(C)cccc1C 2331331007 QEKPFBMGVBMYMZ-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(C)c3)cc2[N+](=O)[O-])cc1 2331339343 ADVYUTSWMROLDX-UHFFFAOYSA-N 449.434 5.556 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCCO4)cc2Cl)cc1 2331399456 NQYZXGSAJZDKCM-UHFFFAOYSA-N 434.875 5.535 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc(Cl)c1OC(C)=O 2331577989 YPIYAVJRJHRXLK-UHFFFAOYSA-N 430.928 6.001 30 10 IKEE CCCSc1nnc(CCC)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2331657735 DNIZENOERZPAJJ-UHFFFAOYSA-N 428.989 5.847 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc(Cl)c1OC(=O)C(F)(F)F 2331659045 PBWFZQGARYQZLM-UHFFFAOYSA-N 442.817 5.338 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3cccs3)c([N+](=O)[O-])c2)c(C)c1 2331768961 SJPPEYOSMKXJEA-UHFFFAOYSA-N 435.501 5.626 30 10 IKEE CC1(C)C[C@H]1C#CC(=O)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2339568388 OFNXTPZBVBFNRQ-UFHPHHKVSA-N 440.539 5.497 30 10 IKEE C[C@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339582306 QAJCTRJUXVPWRX-CNRLFXKBSA-N 433.405 5.049 30 10 IKEE C[C@H]1CC[C@H](CSCc2ccc(B3OC(C)(C)C(C)(C)O3)c(Br)c2)C1 2349809605 PDVKAEMXMSVTGU-GJZGRUSLSA-N 425.241 5.418 30 10 IKEE N#Cc1cccc(Br)c1OCc1cc(I)ccc1Cl 2352245799 CPVJFIFCOCNQJG-UHFFFAOYSA-N 448.485 5.158 30 10 IKEE CN[C@@H](C#Cc1ccccc1Br)c1ccc(NC(=O)OC(C)(C)C)cc1F 2361082036 PCHPFNXFXZJNBZ-IBGZPJMESA-N 433.321 5.247 30 10 IKEE CC1(C)CC=C(B2OC(C)(C)C(C)(C)O2)CN1Cc1cc(Br)ccc1Cl 2362506814 CNIDTOZTHNPQQJ-UHFFFAOYSA-N 440.618 5.645 30 10 IKEE C=CCCCCCCCC[C@H](NC)c1sc(Cl)cc1I 2366648151 OFQYRFUZNDEZKT-AWEZNQCLSA-N 425.807 6.573 30 10 IKEE COc1ccc(/C=C2/Oc3cc(OCc4cc(C)ccc4C)ccc3C2=O)c(OC)c1OC 2156378 HLXLSHVDGRILLH-ZMOGYAJESA-N 446.499 5.524 30 10 IKEE COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(-c4ccccc4)c32)cc1OC 9152913 WJTMMYBVMOFQPO-OAQYLSRUSA-N 429.520 5.295 30 10 IKEE Cc1cccc(CSc2nc3n(n2)[C@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N3)c1 20134245 LSMFTTWUPJQQSG-OAQYLSRUSA-N 436.968 5.554 30 10 IKEE C[C@@H]1Oc2ccccc2C=C1/C=C1/Oc2cc(OC(=O)/C=C/c3ccccc3)ccc2C1=O 33489430 REVLGCJWUCABLD-PIFWIPMWSA-N 436.463 5.629 30 10 IKEE O=C(/C=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1 34954852 DQWWMMOPXUDREE-KNTRCKAVSA-N 438.910 7.122 30 10 IKEE C=CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cccc(C)n2)cc1 39838218 LNMOLYQIOWCIMJ-DEOSSOPVSA-N 438.483 5.119 30 10 IKEE CNC(=O)c1c(Nc2ccccc2C)sc2c(-c3ccc(C)cc3)c(C#N)c(N)nc12 39895256 IANUMYLOIFBPBH-UHFFFAOYSA-N 427.533 5.137 30 10 IKEE COc1ccc(/C(N)=N/c2sc(-c3ccc(Cl)cc3)nc2-c2ccc(C)cc2)cc1 53994189 NFHCEJGJVJOLQR-UHFFFAOYSA-N 433.964 6.485 30 10 IKEE COc1ccc(Cl)cc1/C=N/c1sc2c(c1C(=O)NC1CCCCC1)CCCC2 59245926 RUJHQZPNDZICIE-AFUMVMLFSA-N 431.001 6.102 30 10 IKEE CCCCCCCOc1ccc(NC(=S)NC(=O)c2ccc(Br)cc2)cc1 100446817 RSGMUFGNSNSHPL-UHFFFAOYSA-N 449.414 5.925 30 10 IKEE CCCCCCCCCn1c([C@@H]2CC(=O)N(c3cccc(C)c3C)C2)nc2ccccc21 102199923 KAHKZBFQWXOHPL-HSZRJFAPSA-N 431.624 6.924 30 10 IKEE Cc1cccc(/N=C2\NC(=O)S\C2=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1 105909617 MXNCOEHSQGYQGN-XDHOZWIPSA-N 428.435 6.801 30 10 IKEE COc1ccc(/C=N\n2c(C)nnc2SCc2ccc(Cl)cc2Cl)c(OC)c1 138199884 AHILEEZPHUDCQM-YVNNLAQVSA-N 437.352 5.085 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2cc(C)ccc2C)c1 169933253 VHBGOQZXXSAZMQ-DEOSSOPVSA-N 445.490 5.542 30 10 IKEE CN(C)c1ccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2ccccc2)cc1 169953197 GHHNJDBGYDSMQJ-DEOSSOPVSA-N 437.499 5.017 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1cccc(OC(C)C)c1 169981083 YVWISXSATBAFNY-QHCPKHFHSA-N 437.536 5.251 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccs1 169982601 IKLORCLBWOPFOO-HXUWFJFHSA-N 439.920 5.189 30 10 IKEE CCCCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccccn2)cc1 169993605 XWCOPDNKRZITEU-DEOSSOPVSA-N 444.506 5.655 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@H]2c2ccncc2)c1 170018246 PKVLTXJIBRCCJD-NRFANRHFSA-N 436.870 5.274 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccccc1 170052287 LOXOHVPKAPNQGE-HSZRJFAPSA-N 443.886 6.178 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 170052302 QTSZCENBHRDFAF-OAQYLSRUSA-N 448.862 5.340 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccccc2)cc1 170052837 MUOYEYQEENGSOR-RUZDIDTESA-N 427.500 5.187 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccccc2F)s1 170070243 YNODJMMQMVGWAH-HXUWFJFHSA-N 436.508 5.299 30 10 IKEE Cn1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C2CCCC2)c2ccccc21 170085768 ZBGFLUZWMSSSKS-QFIPXVFZSA-N 434.923 5.353 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(Cl)cc3)[C@@H]2c2ccco2)cc1C 170096691 BWRXBHLXBPZQSN-JOCHJYFZSA-N 435.907 5.371 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(OC)cc2)cc1 170117058 KOEDNOWKHVGIAL-HSZRJFAPSA-N 435.520 5.005 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(O)cc1)c1ccc2c(c1)CCCC2 170130267 LWDZXDAVASBSAX-HSZRJFAPSA-N 445.540 5.111 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccc(C)c1 170143740 BDSZCCHIXLBZOU-NRFANRHFSA-N 437.879 5.029 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2cccs2)c1 170157595 BXMYLYDTPRTBQR-JOCHJYFZSA-N 449.528 5.328 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2cccs2)c1 170160264 VFHANVJGCQATAS-JOCHJYFZSA-N 449.528 5.332 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@@H]1c1ccccc1 170228208 RMSUVLAXJABCTB-XMMPIXPASA-N 443.499 5.104 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1ccccc1)c1ccc2ccccc2c1 170229245 YVSNXOZTOFFNKY-XMMPIXPASA-N 441.433 5.901 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1F 170251489 GHYMGGLZLBBIGI-OAQYLSRUSA-N 443.902 5.399 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(OCC(C)C)c2)=C(O)C(=O)N1Cc1ccco1 170274001 CLCYBAUOXXEEGI-DEOSSOPVSA-N 445.515 5.401 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@@H]1c1ccccc1C 170276620 ODTABKPLXNFHNK-NRFANRHFSA-N 427.928 5.426 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccco2)ccc1Cl 170281861 VBVOWAWZQLMUJM-IBGZPJMESA-N 445.805 5.003 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccc(OC(C)C)c2)cc1C 170348445 GMPWOARSDADFAN-VWLOTQADSA-N 441.527 5.874 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1)c1ccncc1 170376781 MJCFBFMYAHMRJI-IBGZPJMESA-N 443.261 5.310 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 170380536 KUXIGRCWFISPTA-FQEVSTJZSA-N 439.298 5.480 30 10 IKEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 170466856 UJDNFJIKOVJWEH-QHCPKHFHSA-N 444.531 5.426 30 10 IKEE Cc1ccccc1/C=C1\S/C(=N\N=C/c2ccc([N+](=O)[O-])cc2)N(Cc2ccco2)C1=O 205690118 XXBOMPNRPGYMIM-WLUIOLKMSA-N 446.488 5.003 30 10 IKEE C=CCn1c(SCCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccc2ccccc2c1 253570471 NQFUACQEUUWXNZ-UHFFFAOYSA-N 448.979 6.059 30 10 IKEE COc1ccc(/C=C2/SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc1C(=O)O 254452138 PTZNNASOLAPDOE-QGJBXVFPSA-N 430.485 5.202 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@H]1Nc1ccc(Br)cc1C#N 312150738 KEQYIIRCMFSSJW-BHIYHBOVSA-N 434.378 5.301 30 10 IKEE C=C([C@@H](NCCC)c1cc(Br)ccc1I)C(F)(F)F 388591018 LWFCJJWHTPXLEZ-GFCCVEGCSA-N 448.064 5.213 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(OC)cc2)c1 526486495 MGXQHYCSZITISI-VWLOTQADSA-N 440.499 5.413 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccc(OC)c2)c1 526488677 LXCCHMOJTXRPHX-XMMPIXPASA-N 426.472 5.023 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1/N=C\c1c(Cl)cccc1Cl 526803756 LLLQLNGRBLBMBU-MSXFZWOLSA-N 437.371 6.241 30 10 IKEE CCOc1c(Cl)cc(/C=N\n2c(C)nnc2SCc2ccc(C)cc2)cc1OC 526804187 HCGDDJUWPNCMGP-FMCGGJTJSA-N 430.961 5.130 30 10 IKEE CCCCCOc1ccc(/C=N\n2c(CCC)nnc2SCc2cccc(C)c2)cc1 526807872 IDHRQTLIJVNLMQ-ITYLOYPMSA-N 436.625 6.283 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1cccc(OCC)c1OC 526811098 BDLKSOPXLIUFPD-MYYYXRDXSA-N 438.597 5.429 30 10 IKEE COc1cc(C)c(C)cc1S(=O)(=O)N(CCCC#N)C(c1ccccc1)c1ccccc1 586163739 NKAHJKVTWTZMJZ-UHFFFAOYSA-N 448.588 5.396 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCCC[C@H]1C(C)(C)C 698453787 GPCIOSVAXLLPNK-PGRDOPGGSA-N 435.406 6.689 30 10 IKEE CC(C)C1CCC([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)CC1 710749370 MHRPPDODMVNSRZ-LBXVMSDZSA-N 435.406 6.545 30 10 IKEE Cc1nc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)sc1Br 719322466 QRHWDNOTROJXSY-ZDUSSCGKSA-N 442.766 5.874 30 10 IKEE Oc1ccc(C=Nc2ccc(Oc3ccc(N=Cc4ccc(O)c(O)c4)cc3)cc2)cc1O 1084012816 BJNRQSYOOHDCFN-UHFFFAOYSA-N 440.455 5.803 30 10 IKEE Cc1ccc(-c2csc(NN=Cc3ccccc3OS(=O)(=O)c3ccccc3)n2)cc1 1084092371 VIQPBHKACIYBMB-UHFFFAOYSA-N 449.557 5.332 30 10 IKEE C(=NNc1nc(SCc2ccccn2)n[nH]1)c1ccc2ccc3cccc4ccc1c2c34 1084516526 XIHOZWRGOVVHFF-UHFFFAOYSA-N 434.528 5.835 30 10 IKEE CCN1/C(=C/C=C/c2sc3cc(C)c(C#N)cc3[n+]2CC)Sc2cc(C)c(C#N)cc21 1614384612 JPPUNNHQIPYFKB-UHFFFAOYSA-N 443.621 6.056 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=Nc1cccnc1 1772731158 IWTYAKITNIYQRX-XRRPQMRDSA-N 444.343 6.272 30 10 IKEE CC(C)c1ccc(/C=C2\SC(=Nc3cccnc3Cl)N(c3ccccc3)C2=O)cc1 1772735309 SJZCNOYVEBIHJZ-QGNOBFDASA-N 433.964 6.667 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc3c(OC(=O)Nc4cccc(Cl)c4)cccc23)c1 1858779804 FFPGOFVIYAOPFY-UHFFFAOYSA-N 441.874 6.228 30 10 IKEE CCCOc1ccc(/C=N/NC(=S)NC2CCCCCCCCCCC2)cc1OCC 1860499123 GIVFSGRIIXIESB-LHLOQNFPSA-N 447.689 6.345 30 10 IKEE CCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)CCCOc1ccccc1Cl 1861706804 PUBKACQQNINXGE-HSZRJFAPSA-N 425.013 5.261 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CCCOC)cc1 1862385810 YKWXCIRCFLCOMZ-FQEVSTJZSA-N 448.346 5.171 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc2ccccc12 1862435338 UESTVIMZHAFHAU-HSZRJFAPSA-N 449.934 5.498 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1c(F)cccc1Cl 1862449317 JBYHRHRQUXPGFO-LJQANCHMSA-N 436.310 5.901 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2Cc2cccs2)c1 1862455856 DNDNAWGIHGESFZ-FQEVSTJZSA-N 443.446 5.252 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cc(Cl)cc(Cl)c2)cc1 1862482090 JMURZTOUAPSKBL-FQEVSTJZSA-N 430.331 5.823 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(F)cc2F)cc1 1862532162 BKBAKBAJYPHXGW-JOCHJYFZSA-N 425.475 5.438 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2ccccc2Cl)cc1 1862536067 PYBXYXUHXLHHLR-XMMPIXPASA-N 445.946 5.989 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2ccc(C)cc2)cc1 1862554531 FGLAOJDAXCIQMB-BVZFJXPGSA-N 440.543 5.479 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCCC)cc1 1862600824 ZTLNOYHCLJJIRL-HSZRJFAPSA-N 437.536 5.340 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(Cl)cc2)cc1 1862618041 NQTOJSDTWWTDMM-QFIPXVFZSA-N 449.934 6.009 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C(C)C)cc1OC 1862659011 XYZBLWJTXRCKBE-XMMPIXPASA-N 445.515 5.234 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1cc(Cl)cc(Cl)c1 1862706522 YQSUVTIFXHPPOT-CWTRNNRKSA-N 434.319 5.379 30 10 IKEE O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1cccc2ccccc12)c1ccc(-c2ccccc2)cc1 1862727519 GUXSDPFHVARILK-SANMLTNESA-N 449.506 5.077 30 10 IKEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2cccc(C)c2)cc1 1862732565 ITERCEMYTSRMAL-VWLOTQADSA-N 449.591 6.331 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cccc2ccccc12 1862737059 CFFGSQYVKWDWNI-QHCPKHFHSA-N 444.487 5.517 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cccc2ccccc12)c1cccc([N+](=O)[O-])c1 1862738197 VUXHKKOLULDBTR-QHCPKHFHSA-N 442.471 5.269 30 10 IKEE CCCC[C@@H](NC(=O)[C@@H](c1ccc(OC)cc1)C1CCCC1)C(=O)Nc1cccc(C#N)c1 1867010152 CAAFDPVSORVDLR-JWQCQUIFSA-N 447.579 5.154 30 10 IKEE N#Cc1cccc(NC(=O)[C@H](NC(=O)CCCc2cccc(Cl)c2)c2ccccc2)c1 1867124643 IJTRXOUSMHTLEA-XMMPIXPASA-N 431.923 5.031 30 10 IKEE COc1ccc([C@@H]2c3ccccc3CCN2c2cc(Nc3ccccc3C#N)nc(C)n2)cc1 1868490262 BRLOHNAXXRXKLT-MUUNZHRXSA-N 447.542 5.561 30 10 IKEE C=CCN(CC=C)c1cc(N(C)c2ccc(OC)c(OC)c2)nc(Cc2ccccc2)n1 1869080162 LDOPTGRHWLXWOP-UHFFFAOYSA-N 430.552 5.031 30 10 IKEE C=CCN(CC=C)c1cc(N2C[C@@H](C)Cc3c(C)ccc(C)c32)nc(-c2ccc(F)cc2)n1 1869273817 KCEYNJPTBVVHBO-IBGZPJMESA-N 442.582 6.408 30 10 IKEE N#Cc1nnn(-c2ccc(Nc3ccccc3)cc2)c1NC(=O)Cc1cccc2ccccc12 1870151783 LKEHMMJIIDIDNY-UHFFFAOYSA-N 444.498 5.217 30 10 IKEE C=CCn1cc(OCC(=O)Nc2ccc(Cl)cc2C)c(=O)cc1CSC(C)(C)C 1870199635 PMVXAWGWHHKHBD-UHFFFAOYSA-N 434.989 5.045 30 10 IKEE CCCCCCCCn1cc(OCCCCCC)c(=O)cc1CN1C[C@H](C)O[C@H](C)C1 1870676742 IYQNNRUEGFISDN-ZRZAMGCNSA-N 434.665 5.777 30 10 IKEE C=CCOc1cn(CCOc2ccc(OC)cc2)c(CNc2ccc(C(C)C)cc2)cc1=O 1870814014 PZZYEHKOODUZJZ-UHFFFAOYSA-N 448.563 5.236 30 10 IKEE CCCCCCCOc1cn(CC(C)C)c(CNc2ccc(OC)c(OC)c2)cc1=O 1870831556 DMRXUISXBIGGHY-UHFFFAOYSA-N 430.589 5.483 30 10 IKEE CCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CNc1ccc(C)c(Cl)c1 1871258403 SJNBHVXLAWBDRX-UHFFFAOYSA-N 447.063 7.208 30 10 IKEE Cc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(CCc1ccc(F)cc1)C3 1871344298 CHUXIIOZZFBOBC-OYKKKHCWSA-N 429.491 5.453 30 10 IKEE CCCCC[C@@H](CC)N1COc2ccc3c(c2C1)O/C(=C\c1ccccc1Cl)C3=O 1871347496 CADFCGUGDASTTJ-NLKUQUHMSA-N 425.956 6.467 30 10 IKEE CN(C)CCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(C(C)(C)C)cc1)C3=O 1871348704 LGXJQXDPPJGZPL-JLPGSUDCSA-N 434.580 5.094 30 10 IKEE CCCCCCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(CC)cc1)C3=O 1871349028 NWEFUMRJHYSALZ-UQQQWYQISA-N 433.592 6.686 30 10 IKEE C[C@H]1CCCC[C@@H]1N1COc2ccc3c(c2C1)O/C(=C\c1ccc(Cl)c(Cl)c1)C3=O 1871350479 HXKQTUOSBTUCJS-FYGHONKPSA-N 444.358 6.340 30 10 IKEE Cc1c(OC(=O)c2ccc(F)c(F)c2F)ccc2c1O/C(=C\c1cccc(Cl)c1)C2=O 1871370618 VKWIRGXVICTPMH-ZDLGFXPLSA-N 444.792 5.901 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(-c4ccccc4)cc2)C3=O)cc1C 1871372791 LAKJLTNCJUIBHK-QRQIAZFYSA-N 446.502 6.806 30 10 IKEE CCCOc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)c1 1871387601 FILFKKFIJMLUEM-QRVIBDJDSA-N 448.902 6.273 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccco1)C2=O 1871401664 JRTSTVQDUHHSNG-VYZAVGSRSA-N 431.488 5.481 30 10 IKEE Cc1ccc(OCCCOc2cc(C)c3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871404768 FMRMAZBAWXJJFU-NFRDBNIDSA-N 426.512 6.324 30 10 IKEE C=CCN=c1nc(N(CCCC)CCCCCC)[nH]c(=Nc2cccc(Cl)c2C)[nH]1 1871491337 BCYYTCCAUCDYHA-UHFFFAOYSA-N 431.028 5.206 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(OC)cc2)[nH]c(N2C[C@@H](C)C[C@@H](C)C2)n1 1871561332 GVLGNBVAFNSQOT-BGYRXZFFSA-N 440.636 5.300 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(CCCC)cc1)[C@H](C)CC)S(=O)(=O)c1ccccc1 1871831395 IGPGQIKEHVPHKM-HYBUGGRVSA-N 442.625 5.259 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(=O)(=O)C1CC1 1872209736 LJGAVVPUOUELFO-DEOSSOPVSA-N 440.609 5.140 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)S(=O)(=O)CCC 1872326668 RVEIZRDOEOSYPR-HSZRJFAPSA-N 436.662 5.659 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccc(C(C)C)cc3)n2)cc1 1872768116 JQOJNFUIIBAQHW-HTAPYJJXSA-N 434.561 5.976 30 10 IKEE Cc1cc(-c2csc([C@H](C#N)C(=O)CCCOc3ccccc3Cl)n2)ccc1F 1872772540 PINMMIILCKSYQQ-MRXNPFEDSA-N 428.916 5.947 30 10 IKEE COc1cc(OC)c(-c2csc([C@H](C#N)C(=O)Cc3ccccc3Cl)n2)cc1Cl 1872782223 HFTJCBGIDAXBBC-CQSZACIVSA-N 447.343 5.553 30 10 IKEE COc1c(Cl)cc(-c2csc([C@@H](C#N)C(=O)Cc3ccccc3F)n2)cc1Cl 1872785741 VDCOUEPVKJUPLM-ZDUSSCGKSA-N 435.307 5.684 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)c2ccc(N(C)C)cc2)n1 1872785854 AVWOTWPKJWCTSW-GOSISDBHSA-N 425.941 5.337 30 10 IKEE CCCc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)cc1 1872787819 SAOCHEWLZDQFIZ-OAQYLSRUSA-N 434.561 5.643 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@@H](C#N)C(=O)COc2c(C)ccc(C)c2C)n1 1872788601 MAFQKIYYXDKCPR-SFHVURJKSA-N 440.952 5.653 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@H](C#N)C(=O)c2ccccc2Br)n1 1872788971 VSGVGLZRGDCHKR-CQSZACIVSA-N 447.741 5.725 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(CC)cc2)cc2c(NCCCOCCCC)ncnc21 1873607942 BIGUYDWGBUZKKK-UHFFFAOYSA-N 435.572 5.051 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(Cl)cc1C)n2C 1873620198 YOXLKCXQXQWXCO-UHFFFAOYSA-N 427.980 5.955 30 10 IKEE N#Cc1cccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCCC3)C23CCCC3)c1 1873867242 SFNLXRISVBNWIY-XMMPIXPASA-N 427.548 5.382 30 10 IKEE CSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1ccc(Cl)c(Cl)c1 1874225109 UGAFMEPGMHXKET-ZMOGYAJESA-N 449.407 5.817 30 10 IKEE Clc1ccccc1OCc1nnc(SCc2ccccc2)n1/N=C/c1ccccn1 1874267070 YVOXWJQOOPMGRJ-AFUMVMLFSA-N 435.940 5.080 30 10 IKEE CCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc(N(CC)CC)cc1 1874283150 RQQXGZHFXBTPRD-KOEQRZSOSA-N 442.032 5.557 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccc[nH]2)CC1 1874285993 JVOAIVHMZVTFAT-JVWAILMASA-N 439.604 6.384 30 10 IKEE CCCSc1nnc(COc2ccccc2OC)n1/N=C/c1cccc2ccccc12 1874290245 OKFBCQVXYYEDST-PCLIKHOPSA-N 432.549 5.403 30 10 IKEE CCCSc1nnc(CCc2ccccc2OC)n1/N=C/c1ccc(Cl)cc1Cl 1874313836 PXKAJKSBOPCZFM-ZVHZXABRSA-N 449.407 5.763 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2C)n1/N=C/c1ccc(Cl)cc1Cl 1874362577 LPNBZBLKFPWFFJ-DHRITJCHSA-N 445.419 6.229 30 10 IKEE Cc1ccsc1/C=N/n1c(SCCc2ccccc2)nnc1-c1ccccc1Cl 1874365854 YBOYKNAOTVJVSV-BUVRLJJBSA-N 439.009 6.185 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2ccc(O)c(O)c2)cc1 1874387510 QLIPZQFVFMPEBF-CVKSISIWSA-N 444.560 5.071 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2[C@H](C)c2ccccc2)cc1 1874394301 IYRRUZLJGXOZPH-AYQSFACRSA-N 442.588 5.921 30 10 IKEE Cc1ccsc1/C=N/n1c(SCc2ccccc2F)nnc1[C@H](C)c1ccccc1 1874395038 BSTCCZYGXOZSAK-NFXIUMSZSA-N 436.581 6.113 30 10 IKEE CN(C)c1ccc(/C=N/n2c(SCCc3ccccc3)nnc2-c2cccs2)cc1 1874423136 WQULJAPTQUOCLQ-JJIBRWJFSA-N 433.606 5.290 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1 1874427216 WXBIWZMYPGMCLA-BUVRLJJBSA-N 429.505 5.336 30 10 IKEE Cc1ccccc1CSc1nnc([C@H]2CCCO2)n1/N=C/c1ccccc1OC(C)C 1874443927 OJQPFFCEFGOGAJ-BHSKHCGUSA-N 436.581 5.400 30 10 IKEE CC(C)(C)c1ccc(/C=N/n2c(SCc3ccccc3F)nnc2C2CCCC2)cc1 1874455713 HPJGJUYJBVGRRQ-JVWAILMASA-N 436.600 6.547 30 10 IKEE CN(C)c1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2-c2ccco2)cc1 1874467282 AWHHSOSWZVAIBZ-ZVHZXABRSA-N 437.956 5.432 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc(N(C)C)cc1 1874478804 SSKMEMFHHZRSHM-BUVRLJJBSA-N 428.005 5.515 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C(C)(C)C)c1 1874486212 HGQSSQRFDUUBEE-DHRITJCHSA-N 446.979 5.941 30 10 IKEE CCCSc1nnc(C2CC2)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874521008 WSKJACXTZZEVER-ZVHZXABRSA-N 426.973 5.772 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CC)nnc1SCc1ccc(Cl)cc1Cl 1874527677 AEYVPRYQDMBLFQ-ZMOGYAJESA-N 447.391 5.887 30 10 IKEE Cc1ccc(COc2ccc3ccccc3c2/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1 1874573233 CPHHDEADBRDIRT-BUHFOSPRSA-N 447.361 7.930 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2cccc(Cl)c2)c1OCC(=O)OCC(C)C 1874577388 LNAXENDDWOOETD-BQYQJAHWSA-N 437.319 5.476 30 10 IKEE Cc1ccc(C(=O)/C=C/c2c(OCC(=O)NCc3ccccc3)ccc3ccccc23)cc1C 1874588486 OYWSESKKKWUFRR-FOCLMDBBSA-N 449.550 6.048 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccccc2)c(OC)c1OC 1874592538 OZRZQBZATMUSRF-FMIVXFBMSA-N 438.907 5.841 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)cc1OCc1ccccc1 1874599596 VDFKNBIELPQJCK-CSKARUKUSA-N 443.326 6.486 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OCC(=O)Nc1ccccc1F 1874609566 YOVNKKHLQREASV-RIYZIHGNSA-N 449.478 5.147 30 10 IKEE CCCOC(=O)COc1c(Br)cc(/C=C/C(=O)c2ccccc2)cc1OCC 1874614698 PHLTWPPSRADDBC-ZHACJKMWSA-N 447.325 5.076 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(Cl)c3)c(OC)c2)cc1F 1874623530 HQSIDEUIEGXBGM-RMKNXTFCSA-N 426.871 5.971 30 10 IKEE CCCOC(=O)COc1c(Cl)cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OC 1874634311 WBGYGWJDVURRBU-BQYQJAHWSA-N 430.928 5.502 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)ccc1OCc1cccc(F)c1 1874635762 UUJAPFDCIWRXJO-JLHYYAGUSA-N 432.535 6.915 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1)c1ccccc1Cl 1874696634 JRGMUHNGTFBAIF-DHZHZOJOSA-N 431.702 6.762 30 10 IKEE CCCCC1CCC(C(=O)Oc2cc(/C=C/C(=O)c3ccc(F)cc3)ccc2OC)CC1 1874709345 BPYAUUBTMVDYON-LZYBPNLTSA-N 438.539 6.632 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)Cc2ccccc2F)c1 1874715203 ICVTUKXWKYHVDD-ZHACJKMWSA-N 438.882 5.840 30 10 IKEE CCCCCCCCC(=O)NCc1nn2c(COc3c(C)ccc(C)c3C)nnc2s1 1874771972 PXERDHMWMKIMNJ-UHFFFAOYSA-N 443.617 5.057 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccccc2OC)CSc2nnc(CCC)n21 1874867641 WZBICNYQNJHJPT-IBGZPJMESA-N 430.618 5.301 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1Cl 1875084803 ALLKYHDNMWUKRS-PKNBQFBNSA-N 427.884 6.020 30 10 IKEE C[C@H](C(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1Cl)c1ccccc1 1875097486 MWLWUBMJYASCBR-LSSBLYJVSA-N 444.958 6.824 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)ccc1OC(=O)c1ccc(C)c(C)c1 1875103351 VGUJGBINMGAORZ-XNTDXEJSSA-N 428.528 6.380 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1 1875112162 UQAOZEGZSKPDFP-NTUHNPAUSA-N 441.310 6.507 30 10 IKEE O=C(Cc1cccs1)Oc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] 1875121155 CACNSWJDWSQZJX-SOFGYWHQSA-N 427.865 5.354 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)c1cccc(F)c1 1875122883 MIIBWMAXECBJTA-BJMVGYQFSA-N 445.273 6.256 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)c1sccc1C 1875123268 FOFGLEISBATBJD-VOTSOKGWSA-N 447.339 6.487 30 10 IKEE C[C@@H](C(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1Cl)c1ccccc1 1875125800 BLKYCCMSZDLLFL-ROCHPLJESA-N 425.311 6.599 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3Br)cc2)c(C)c1 1875131347 SJVHUSSRDSPKNS-GXDHUFHOSA-N 435.317 6.181 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(Cl)cc3Cl)cc2)cc1 1875132449 SHBCAGIVLXBWIU-WUXMJOGZSA-N 441.310 6.182 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)c1ccccc1C 1875134004 IJWLXHLIGPZQCX-FYWRMAATSA-N 440.539 6.464 30 10 IKEE CC(C)(C)C(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1Br 1875146298 NJFZJGPHXRQPQN-QPJJXVBHSA-N 445.309 5.068 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(C)c3C)cc2)c1 1875168015 SNNLZSFAMXOBME-XNTDXEJSSA-N 444.527 5.755 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3Cl)c(Cl)c2)cc1C 1875175188 CRQQDMPPTHOAOJ-DHZHZOJOSA-N 439.338 6.654 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 1875191875 IZQVIFBPBSBMNH-XYOKQWHBSA-N 427.283 6.117 30 10 IKEE CC1(C)OB([C@@]23C[C@@H]2CCN(Cc2ccc(Cl)c(Br)c2)C3)OC1(C)C 1879791648 FAHFZMQPOJNJCB-IFXJQAMLSA-N 426.591 5.161 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CC1(CNC(=O)OC(C)(C)C)CCCCC1)NCCC 1922078636 YEXWSWMGBSUYJK-XMMPIXPASA-N 444.660 5.993 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1ccc(Br)cc1Br 1922089270 OIQWKSCVSXZHPL-IBGZPJMESA-N 439.191 5.635 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)NCCC 2009732414 PZSFEUGIXITEHQ-WOJBJXKFSA-N 444.538 5.221 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@]2(C)CCCN2C(=O)OC(C)(C)C)cc1 2020799157 RZAFPXFMWCSPMA-YADARESESA-N 429.561 5.418 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@](C)(C#N)[C@H]1CCCSC1 2029443080 KKVSBQHAUGNLIL-IFXJQAMLSA-N 425.392 5.616 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC[C@]2(C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)C1 2032045387 RXJZOVQZYBAOLS-OBWXTZQISA-N 445.535 5.106 30 10 IKEE CCOc1cc(C=CC(=O)c2sc(C)nc2C)ccc1OCC(=O)Nc1ccccc1 2040503257 SUOLTEWZPRVXGI-UHFFFAOYSA-N 436.533 5.072 30 10 IKEE C=C(c1ccccc1)[C@@H](O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2076572838 KWFJVBDZSURYDQ-DEOSSOPVSA-N 436.596 5.010 30 10 IKEE CC[C@H](c1cc(C)c(C)cc1C)n1nc(C2CC2)c(/C=N/O)c1I 2078991390 AKLJFQZPEAIXRK-LYUVJKPTSA-N 437.325 5.098 30 10 IKEE CC(C)c1ccc([C@H](n2nc(C3CC3)c(C#N)c2I)C2(C)CC2)cc1 2079930972 CNRAMXUIGQIQNN-IBGZPJMESA-N 445.348 5.750 30 10 IKEE Cc1cc(C)c([C@H](C)n2nc(C3CCC3)c(C=NO)c2I)c(C)c1 2080041956 DRPLFYFMTOAVEF-AWEZNQCLSA-N 437.325 5.098 30 10 IKEE NC(=O)c1c(C(F)(F)F)nn([C@@H](c2ccc(C(F)(F)F)c(F)c2)C2CCC2)c1Cl 2080051564 ANPFOEOADRCYBU-GFCCVEGCSA-N 443.750 5.202 30 10 IKEE Cc1ccc(F)c(Cn2nc(C(C)(C)C)c(C#N)c2Br)c1Br 2080278088 TWZMLNVUABDGCM-UHFFFAOYSA-N 429.131 5.073 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]([C@](C)(C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 2082166090 OFZUDIOJEYUXOW-CEYNDMKZSA-N 449.636 5.922 30 10 IKEE C=CCCCCCCCC[C@H](N)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2086258934 JNJZSHDTRZFASC-IGKIAQTJSA-N 443.676 5.790 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)c(Br)c1F)NC 2110506909 NWDTUBYUVNFPTA-HUUCEWRRSA-N 449.792 5.232 30 10 IKEE C=CC[C@@H]1CCCC[C@@H]1NCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134722091 MLDPFRZPXDPTEL-IZLXSDGUSA-N 441.615 7.069 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2cc(C)c(Br)s2)cc1 2137591775 AANYXCSLDASKNU-OAHLLOKOSA-N 437.359 5.834 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@]2(Nc3ccc(C#N)c(Br)c3F)CCC[C@@H]12 2162336189 URGSBCVQNRUGFN-QRWLVFNGSA-N 438.341 5.194 30 10 IKEE CCCCC#CC[C@@H](NCCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2203819803 QJNZOCPYZBAFOH-HXUWFJFHSA-N 437.422 6.421 30 10 IKEE C=C1C[C@@H]1C[C@H](NCCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237411217 XAMHJFFNSAXSCM-HOJAQTOUSA-N 437.422 5.219 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Cl)c(NC(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)c1 2247828595 HQSVKMZKTNLGSH-ZIAGYGMSSA-N 436.745 5.108 30 10 IKEE CC(C)[C@H](C)N(Cc1ccccc1)c1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2s1 2264340801 IKUGMAKKDAAYBK-SFHVURJKSA-N 436.430 5.647 30 10 IKEE CC1(C)OB(c2cccc(NC(=O)N(Cc3ccccc3)Cc3cccs3)c2)OC1(C)C 2267629016 RPORFJRUTLXAGK-UHFFFAOYSA-N 448.397 5.282 30 10 IKEE C=CCC1(COc2cc(Br)cc(F)c2N)CCN(C(=O)OC(C)(C)C)CC1 2287752050 NEHPXDVRZZRODE-UHFFFAOYSA-N 443.357 5.143 30 10 IKEE C=C(O)C(C)(C)C(C)(C)N1C(=O)SC(=C2C(=O)Nc3c(C)c(C)c(Cl)c(C)c32)C1=O 2295078646 ZTYAXIPGNXYAMI-UHFFFAOYSA-N 448.972 5.500 30 10 IKEE CC[C@]1(C)C[C@@](CCN=Cc2ccc(OC)c(OC)c2)(c2ccccc2OC)CCO1 2297709304 HXQQXLYXXSIJSC-FTJBHMTQSA-N 425.569 5.439 30 10 IKEE Cc1ccc2nc(-c3cccc(N=Cc4ccc(-c5cc(Cl)ccc5Cl)o4)c3)oc2c1 2297710541 RCCJQTRJNSQXKF-UHFFFAOYSA-N 447.321 8.121 30 10 IKEE C=C1C[C@H]1[C@H](NCCC)c1sc(Br)c(Br)c1Br 2302837387 UZYQOEOOZFNTIL-XCBNKYQSSA-N 444.030 5.652 30 10 IKEE CCCCCCCOc1ccc(NC(=S)NC(=O)C=Cc2ccc(OC)cc2)cc1 2313763940 FPVGROGVRRKGRC-UHFFFAOYSA-N 426.582 5.571 30 10 IKEE CCOc1cccc(C=C2Oc3cc(OC)ccc3C2=O)c1OC(=O)c1ccc(F)cc1 2314527188 JFUXKGYUYVKAFK-UHFFFAOYSA-N 434.419 5.068 30 10 IKEE C=CC[C@@H]1CCC[C@@H]1NCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2315438984 XASQOXYWYQROKR-SXOMAYOGSA-N 427.588 6.679 30 10 IKEE CC#CCN(C[C@H](NCC)c1ccc(Br)c(Cl)c1)C(=O)OC(C)(C)C 2316101217 SVEYNGDWHSEHIE-KRWDZBQOSA-N 429.786 5.014 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@H](C#N)[C@@]1(C)CCCCN1C(=O)OC(C)(C)C 2318946296 IGPRLFXNMAINKX-CJFMBICVSA-N 449.636 6.018 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccco1)O3)CN(C1CCCCCCCCCCC1)CO2 2322166886 NGSZRROLIRSAFQ-UHFFFAOYSA-N 449.591 7.029 30 10 IKEE CN(C)c1ccc(C=C2Oc3c(ccc4c3CN(CCCc3ccccc3)CO4)C2=O)cc1 2322214354 NVMCCUAZGQILHK-UHFFFAOYSA-N 440.543 5.154 30 10 IKEE CCCN(CCC)C(=O)COc1c(C=CC(=O)c2ccc3c(c2)CCCC3)cccc1OC 2322339153 OUYJMUCNSLHZMQ-UHFFFAOYSA-N 449.591 5.498 30 10 IKEE CCc1ccc(C=C2Oc3c(cc4c(c3C)OCN([C@@H](C)c3ccccc3)C4)C2=O)cc1 2322371258 JMXXALNIXOXASG-IBGZPJMESA-N 425.528 6.087 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2c(OCc3cccc(C)c3)ccc3ccccc23)cc1 2322391647 LFLFATZXFGFSHM-UHFFFAOYSA-N 434.579 7.966 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2cccc(C)c2C)cc1 2322457345 GMNJYHSTHSVPQM-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE CCc1ccccc1NC(=O)COc1c(C=CC(=O)c2ccc(F)cc2)cccc1OC 2322748892 POFPSQHELXIARO-UHFFFAOYSA-N 433.479 5.310 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc(C)c3C2=O)cc1 2323231540 LITDZMHBXHGVIN-UHFFFAOYSA-N 449.846 5.700 30 10 IKEE CCCOc1c(OC)ccc(C=CC(=O)c2cc(C)c(OC)cc2C)c1Br 2323318331 GROSQJKBWDRSEB-UHFFFAOYSA-N 433.342 5.768 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)cc1 2323627547 OTLDIWXGSBMRHN-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE Cc1cc(OC(=O)c2ccc(-n3cccc3)cc2)cc2c1C(=O)C(=Cc1ccc(F)cc1)O2 2323675599 BFZRFOKCTKNODW-UHFFFAOYSA-N 439.442 5.760 30 10 IKEE Cc1ccc(COc2ccccc2C=NNc2nc(-c3ccc(Cl)cc3)cs2)cc1 2323858637 WSFPTSLKIXMULF-UHFFFAOYSA-N 433.964 6.797 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c([N+](=O)[O-])c2)cc1 2323900897 MLCLDFBBLGMZHA-UHFFFAOYSA-N 442.298 6.685 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OCc2ccccc2Cl)c(Cl)c1 2323992428 LZBBEIPGOSCCMG-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OCC(=O)Nc1cccc(C)c1 2324173515 OIGRQCCNUAGTAG-UHFFFAOYSA-N 443.543 6.041 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OCC(=O)Nc1nccs1 2324173578 VJNLRDVNDWOYBM-UHFFFAOYSA-N 436.533 5.189 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1OCc1cccc(C)c1 2324193097 UUCSZDFKEIINOF-UHFFFAOYSA-N 435.451 5.916 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCCCOc4ccccc4)c3C)C2=O)cc1OC 2324234589 TVGKTSDFSPDRTH-UHFFFAOYSA-N 446.499 5.476 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OCC(=O)Nc2ccccc2C)cc1 2324506216 YVSVFNCLMGAVSL-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(OC)c2OC)ccc1OCc1ccccc1 2324725316 BHTZZHZHXONCET-UHFFFAOYSA-N 448.515 5.586 30 10 IKEE O=C(COc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O)Nc1ccc2ccccc2c1 2324959070 SLYWGZLXTJECPX-UHFFFAOYSA-N 447.490 6.030 30 10 IKEE CC(C)(C)[C@@H](CS)COCc1ccc(I)c(Br)c1 2325382039 QGENLZDSBRIKKR-LLVKDONJSA-N 443.188 5.162 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(C(=O)O)cc1 2325532254 VLBVLRNAFFWFCO-UHFFFAOYSA-N 444.560 5.647 30 10 IKEE COc1ccccc1C(=O)C=Cc1cccc(OC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)c1 2325724717 QVMYUKUTPHYMRA-FCHUYYIVSA-N 432.903 5.954 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1OC(=O)c1sccc1C 2325757169 UYHFXZZNZQVILQ-UHFFFAOYSA-N 436.529 5.806 30 10 IKEE CCSc1nnc(CCc2ccccc2OC)n1N=Cc1c(OC)ccc2ccccc12 2328683962 BTYUXPCGVPPTMS-UHFFFAOYSA-N 446.576 5.228 30 10 IKEE CCCSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1ccc(OCC)c(OC)c1 2329442506 FMTIFEVCMSCJQA-UHFFFAOYSA-N 438.597 5.277 30 10 IKEE CCCSc1nnc(CCc2cccs2)n1N=Cc1ccc(Br)cc1 2329674071 OXYFOLINVFIUMF-UHFFFAOYSA-N 435.416 5.272 30 10 IKEE COc1ccc(C=Nn2c(SCCc3ccccc3)nnc2[C@H](C)c2ccccc2)cc1 2330110660 ZPHFYXVZISCZBR-HXUWFJFHSA-N 442.588 5.656 30 10 IKEE Cc1cccc(CSc2nnc(-c3cccs3)n2N=Cc2cc(Cl)ccc2O)c1 2330551725 MXKNRPGJTVCSJH-UHFFFAOYSA-N 440.981 5.849 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1 2330653502 IJJPHCWYYYTPKT-UHFFFAOYSA-N 436.507 6.283 30 10 IKEE Fc1ccccc1CSc1nnc(-c2ccccc2)n1N=Cc1cccc2ccccc12 2330674811 NNUVTSOCJTVBEV-UHFFFAOYSA-N 438.531 6.412 30 10 IKEE Cc1cc(CC(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)CCCC4)cc2)ccc1F 2330678638 HNMVSLSYLWEHSN-UHFFFAOYSA-N 428.503 6.057 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)c1 2330776908 KFLOAWRKMIQYKW-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE Cc1ccccc1CSc1nnc(CC(C)(C)C)n1N=Cc1ccc(Cl)cc1Cl 2330808832 USDGOUKDKOSZGI-UHFFFAOYSA-N 447.435 6.656 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Br)c1OC(=O)c1ccccc1 2331175811 AGCUTXOCEJSMIH-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)C3CCCC3)c(OC)c2)cc1 2331188463 HDMIMXWQMGLLKU-UHFFFAOYSA-N 428.912 5.739 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1Cl 2331222324 FDCDVKXLANWEAV-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE COC(=O)c1ccc(C=Nn2c(CC(C)C)nnc2SCc2ccccc2Cl)cc1 2331456406 KDZIGUMZXHQBLF-UHFFFAOYSA-N 442.972 5.091 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)c1ccc(F)c(F)c1 2331519787 UWNADZVTFACHKZ-UHFFFAOYSA-N 442.389 5.236 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)cc(Cl)c1OC(=O)C1CCC1 2331624664 CPBAKUTVHOTOOT-UHFFFAOYSA-N 442.939 5.966 30 10 IKEE Cc1cccc(C)c1NC(=O)CSc1nnc(C(C)C)n1N=Cc1c[nH]c2ccccc12 2331695097 LRSDPWRMOMZWIS-UHFFFAOYSA-N 446.580 5.113 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1C 2331704779 GHZLKJJLUUTFNN-UHFFFAOYSA-N 425.311 6.726 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)Cc1ccccc1F 2331779995 ONPDOEDIJQXJGE-UHFFFAOYSA-N 432.491 5.804 30 10 IKEE C=CCC(CC=C)C(=O)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2338854291 MIOKLESZOYNHND-LJAQVGFWSA-N 442.555 6.216 30 10 IKEE COC1(C#C[C@H](O)c2ccc(NC(=O)OC(C)(C)C)c(Br)c2)CCCCC1 2363524176 PSCGHYJQWBALNE-SFHVURJKSA-N 438.362 5.182 30 10 IKEE CC/N=C1\S/C(=C/c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)C(=O)N1CC 8444819 JFBIQWUQAAUWBX-OKWLUECYSA-N 428.863 5.931 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C)o2)cc1OC 21223075 STAQCSXUSCJJAN-XRHLQHRESA-N 444.531 5.975 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2c(F)cccc2Cl)cc1 21256803 CIUXSPPMDJEGDB-NVXWUHKLSA-N 427.903 5.272 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccnc2)cc1OC 21259010 OSMITFMLMMZZSL-UZTOHYMASA-N 441.531 5.468 30 10 IKEE C[C@H]1Oc2ccccc2C=C1/C=C1/Oc2cc(OC(=O)c3ccccc3Cl)ccc2C1=O 33489474 FRBVDOPMDIZHET-GMJSKMFWSA-N 444.870 5.883 30 10 IKEE O=C1N/C(=N\N=C\c2cccc3ccccc23)S[C@H]1Cc1ccc(Cl)cc1Cl 39888235 KQDUPOCLJZSIMF-OGBFJMLUSA-N 428.344 5.311 30 10 IKEE CCc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=S)Nc1ccccc1)CCC2 40825133 JBKLSAYXYMWOFG-VFCFBJKWSA-N 446.576 5.430 30 10 IKEE O=C1/C(=C/c2ccccc2O)S/C(=N/N=C\C=C\c2ccccc2)N1Cc1ccco1 47138737 OHXAKHBGIKAREN-XAVFYWJDSA-N 429.501 5.157 30 10 IKEE CCOc1ccc(C(=O)Nc2cc(Cl)c([C@H](C#N)c3ccc(Cl)cc3)cc2C)cc1 59239950 SPWIVQLKHUWXST-OAQYLSRUSA-N 439.342 6.608 30 10 IKEE COc1ccc(-c2nc(SC)nc(Nc3ccc(C(F)(F)F)cc3)c2C#N)cc1OC 62041316 WFOLEKIPMLVYDT-UHFFFAOYSA-N 446.454 5.517 30 10 IKEE CN(C)c1cc(C(F)(F)F)cc(-c2cccc(CC(=O)/C=N/c3ccccc3Cl)c2)n1 95082533 AUWIICYTLJPTDE-CCVNUDIWSA-N 445.872 6.001 30 10 IKEE CCCCCCCCC(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccc(CC)cc2)cc1 98021392 QCVFHRMQHKDPKF-SANMLTNESA-N 438.637 6.717 30 10 IKEE CCCCCCCOc1ccc(NC(=S)NC(=O)c2ccccc2OCCOC)cc1 100199204 WMBCWQQCLJICLG-UHFFFAOYSA-N 444.597 5.188 30 10 IKEE CCCCCCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccccc1[N+](=O)[O-] 101285174 GGPNJRMHXXUPKQ-HSZRJFAPSA-N 448.523 5.747 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cn(C)c4ccccc24)C3=O)cc1 103024905 MCCWDRZGIFZKMH-CFRMEGHHSA-N 425.440 5.022 30 10 IKEE Cc1ccc2nc(N3C(=O)C(=O)/C(=C(\O)c4ccc(F)cc4)[C@@H]3c3ccccc3)sc2c1 103104080 DDQXZYQKEWLMJM-AGGMBTAESA-N 444.487 5.370 30 10 IKEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 103126837 YYEFINMTJYEYEN-HQMFNGAOSA-N 443.286 5.225 30 10 IKEE Cc1cccc(CN2c3ccccc3C(=O)/C(=C/Nc3ccc(C)c(C)c3)S2(=O)=O)c1 104402558 RWSRVELJRXLNMF-IWIPYMOSSA-N 432.545 5.098 30 10 IKEE CCCCCCCCCCC[C@H](N)c1cc(Br)sc1Br 115856088 UFAUVNNWRXULTO-AWEZNQCLSA-N 425.274 7.194 30 10 IKEE CCCCCCCCN1C(=O)C(SCc2ccccc2)=C(c2ccc(C)c(C)c2)C1=O 170001626 NRWPCROPEZYWJC-UHFFFAOYSA-N 435.633 6.677 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@H]2c2cccnc2)c(C)c1 170008681 DZGLDXORZMCDPO-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc2ccccc12 170045714 SOTAARWLBDVNBY-AREMUKBSSA-N 437.495 5.530 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@H]2c2ccco2)c(C)c1 170092424 GCBBTLGZSDRSHH-FQEVSTJZSA-N 441.842 5.172 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1CCCOC(C)C 170107795 UQUZHDJRXVYRBH-JOCHJYFZSA-N 449.572 5.603 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2cccc(OC)c2)cc1 170120776 WMKUVDIGJFUVFI-HSZRJFAPSA-N 437.536 5.253 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(O)cc2)c1 170131997 OJYRTCFSKNRIHN-HSZRJFAPSA-N 425.440 5.230 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(C)c2)cc1C 170144016 UMDCISHOHYJQSP-QHCPKHFHSA-N 431.488 5.074 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2cccs2)cc1C 170158046 ZJFCQUJCNMUYCV-HXUWFJFHSA-N 434.473 5.056 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(Cl)c3)[C@H]2c2ccccc2)cc1 170224869 LUIUNIMEXISNEI-JOCHJYFZSA-N 449.890 5.140 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2ccccc2)cc1 170229557 SLXCSUAMTPGIEK-HSZRJFAPSA-N 449.453 5.537 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(F)cc2)ccc1OC(C)C 170239643 LEDKVBLFBSVNRU-DEOSSOPVSA-N 445.490 5.704 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2F)c1 170253612 ZMTKEVVMPFYAQH-FQEVSTJZSA-N 429.875 5.009 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1cccc(O)c1)c1cc2ccccc2o1 170257792 BBINILZMEHZXRP-JOCHJYFZSA-N 429.403 5.060 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1ccco1 170290308 RGYBKRNMYDITDS-IBGZPJMESA-N 445.805 5.003 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc(Nc3ccccc3)cc2)[C@H]1c1ccc(O)cc1 170449911 MCDNLIQXWZCESM-QHCPKHFHSA-N 442.515 5.651 30 10 IKEE CCOc1ccccc1OCC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N 170522170 PRWSXOMWQWVRJZ-UHFFFAOYSA-N 438.483 5.901 30 10 IKEE CCCCCCCC/C=C/CCCCCCCCOCCP(O)C(=O)C[N+](C)(C)C 198772676 QCTJEAZVOMWZAQ-OUKQBFOZSA-N 444.661 6.663 30 10 IKEE CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)SC1=Nc1cccc2ccccc12 252630222 UXJFJMSIQZUTRE-SEYIQKDNSA-N 447.585 5.842 30 10 IKEE N#Cc1ccc(C=Nc2ccc(Oc3ccc(N=Cc4ccc(C#N)cc4)cc3)cc2)cc1 254291153 VMOGIYKUYBXASL-UHFFFAOYSA-N 426.479 6.723 30 10 IKEE CSc1nnc(-c2ccco2)n1N=Cc1ccc(COc2c(Cl)cccc2Cl)o1 254305809 QFYFARFYALKYGT-UHFFFAOYSA-N 449.319 5.621 30 10 IKEE COc1ccc(C=Nn2c(SC)nnc2C(F)F)cc1COc1ccc(C(C)C)cc1 254520625 HKGGELAWVCUKHX-UHFFFAOYSA-N 446.523 5.531 30 10 IKEE C=CCn1c(-c2ccc(C)cc2)c(NC(=O)c2ccccc2)sc1=Nc1ccccc1 254823720 XPYTWGUIIIEORN-UHFFFAOYSA-N 425.557 6.196 30 10 IKEE c1ccc(N=C(N=c2nc(-c3ccccc3)n(-c3ccccc3)s2)c2ccccc2)cc1 254844775 MWOQGFNFLXDBTO-UHFFFAOYSA-N 432.552 6.280 30 10 IKEE C#CCOc1ccc(Br)cc1CNc1ccccc1NC(=O)OC(C)(C)C 379950001 JITFEBCGYIYARS-UHFFFAOYSA-N 431.330 5.420 30 10 IKEE CSc1nc(O)c(C(=O)N[C@@H](c2ccc(F)c(C)c2)c2ccccc2Cl)cc1C#N 439995393 LHVIHQYBWGLIJW-IBGZPJMESA-N 441.915 5.001 30 10 IKEE C[C@@]12CC[C@@]3(C)[C@@](C)(CC[C@]4(C)C(=O)/C(=C/c5ccncc5)C[C@@]43C)[C@@]1(C)CC[C@H](O)C2 504718620 GYTNBVPAHRXQRC-XUDODQSSSA-N 435.652 6.608 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cn(C)c3ccccc23)c1 526489362 RDNDCPQKXOSKDT-AREMUKBSSA-N 449.510 5.506 30 10 IKEE Cc1ccc(SC2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 526661619 SHGJTDGWKFUZMO-UHFFFAOYSA-N 445.931 5.509 30 10 IKEE CCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1cccc(Br)c1 526823661 ZWCOXYUUICASQI-QRVIBDJDSA-N 440.370 5.039 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 698455571 DHDDANGBEFKFQF-YADARESESA-N 435.609 5.628 30 10 IKEE Cc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)cc1Br 698829125 DDZINROHGJYSBW-GOSISDBHSA-N 435.749 6.417 30 10 IKEE CCCN[C@@H](CC#CC(C)(C)C)c1ccc(I)c(Br)c1 721631985 WMDJGHKEPSKJEJ-INIZCTEOSA-N 448.186 5.534 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CC[C@@H](CNC(=O)OC(C)(C)C)C1 724066218 AMNVSFLVMBEGKV-MZNJEOGPSA-N 445.560 5.024 30 10 IKEE CCOc1cccc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2ccc(CC)cc2)c1 762439706 NFQLVOKIUWUNLD-UHFFFAOYSA-O 430.553 5.130 30 10 IKEE CCN1C(=O)/C(=C\c2ccccc2OCc2ccc(C)cc2)SC1=Nc1cccnc1 1772730531 BOJRBDWOIUIDMI-ZRAGWZJNSA-N 429.545 5.593 30 10 IKEE CCOc1ccc(/C=C2/SC(=Nc3ccccn3)N(c3ccccc3)C2=O)cc1OC 1772732086 SZBPCTDJZWROBU-NUPZHTTHSA-N 431.517 5.298 30 10 IKEE O=C(O)c1ccc(/C=C2/SC(=Nc3ccncc3Cl)N(c3ccccc3)C2=O)cc1 1772734443 DNRDDHOQFXWWEI-QCIUGURRSA-N 435.892 5.242 30 10 IKEE Cc1ccc(/C=C2\SC(=Nc3nc(-c4ccccc4)cs3)N(C3CCCCC3)C2=O)o1 1772735785 IBVFYBAEUKYJCJ-UDYULTBOSA-N 449.601 6.648 30 10 IKEE CC(C)(C)c1ccc(C(=O)NCc2ccc(OC(=O)Nc3cccc(C#N)c3)cc2)cc1 1858898154 JUFFWZKZDGIXQX-UHFFFAOYSA-N 427.504 5.397 30 10 IKEE CCc1nc2c(Br)cccc2c(C(=O)Nc2oc3c(c2C#N)CCCC3)c1C 1859662203 BNECZWNTDVSAFF-UHFFFAOYSA-N 438.325 5.464 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)[C@@H](C)Oc1ccc(C(C)C)cc1 1861682925 MGJBSPLVWUWTKI-QPPBQGQZSA-N 432.649 5.729 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccc3c(c2)CCCN3C)cc1 1862394949 SOCCPHDGUQARTN-VWLOTQADSA-N 446.591 5.398 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862395780 YKFQJHKZYREYIU-HOYKHHGWSA-N 435.564 5.112 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccccc2)cc1 1862431625 KZPKAAVDHNNMJY-QHCPKHFHSA-N 431.919 5.681 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(OCC)cc1 1862447837 XRNWFVPXGJBKLD-QFIPXVFZSA-N 441.955 5.897 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(Cl)cc1)c1c(F)cc(F)cc1F 1862458979 ZFQSIKGNPRBMIO-LJQANCHMSA-N 447.796 5.129 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 1862478823 RIWWOHPQTXNTBT-QFIPXVFZSA-N 434.492 5.204 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2cc(Br)ccc2F)cc1 1862483651 CKPNOPYSPSBLNG-LJQANCHMSA-N 446.316 5.131 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc2c(c1)CCCN2C 1862498138 AOSIZSYPRYSEDX-RUZDIDTESA-N 446.591 5.454 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862540163 HVMBJJPSJRQFCY-HXUWFJFHSA-N 442.899 5.189 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862564492 BPFJKJDHZMJXCM-IBGZPJMESA-N 433.335 5.200 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CC)cc1 1862587683 XHZNHJGBRNCUBJ-HXUWFJFHSA-N 447.362 5.438 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862622597 LXDFJKMYEFHMPC-IBGZPJMESA-N 432.347 5.889 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2cccc(O)c2)cc1 1862649270 UKXQYWHWIKKZPN-AREMUKBSSA-N 449.506 5.632 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(C(C)C)cc2)=C(O)C(=O)N1Cc1ccccc1F 1862659728 DGBMGUDGKKPNBZ-RUZDIDTESA-N 443.518 6.036 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2cccc(O)c2)cc1 1862661009 BEQIOSUUYURVOL-XMMPIXPASA-N 445.490 5.433 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2cccc(O)c2)cc1 1862663106 PFTZZVQNIWTOKJ-DEOSSOPVSA-N 427.500 5.294 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1Cl 1862682514 KFMGWZGIIDGLKZ-IBGZPJMESA-N 436.310 5.757 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2ccccc2C)cc1 1862687952 RYIXACXJTXSJGM-XMMPIXPASA-N 427.500 5.091 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccccc1Cl)c1ccc2ccccc2c1 1862711914 FTDKALAVUIQRDQ-DEOSSOPVSA-N 445.946 6.404 30 10 IKEE CCCCc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(C)cc3)C2=O)cc1 1862889658 HNDAMWFNQJBDCG-UHFFFAOYSA-N 435.527 5.606 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCC)=C(c2cc(Cl)ccc2Cl)C1=O 1863726962 FDQMLDMLENLJMB-UHFFFAOYSA-N 439.427 6.214 30 10 IKEE Cc1cc(Br)cc2c(O)cc(C(=O)Nc3sc4c(c3C#N)CCCC4)nc12 1866548684 BDNXMKOCPKRYMA-UHFFFAOYSA-N 442.338 5.076 30 10 IKEE CCCc1nc(Nc2ccccc2C#N)cc(N2C[C@@H](C)N(c3ccccc3)[C@H](C)C2)n1 1868398406 MFGNAUZSHYDMTH-WOJBJXKFSA-N 426.568 5.148 30 10 IKEE CCCCCCCCCCn1cc(OCCOC(C)C)c(=O)cc1CSC(C)C 1870294069 BTIJIZYUXDXECK-UHFFFAOYSA-N 425.679 6.434 30 10 IKEE C=CCOc1cn(CCCCCCCCCC)c(CN2CCc3ccccc3C2)cc1=O 1870387115 QPFFMKPPLZMQIF-UHFFFAOYSA-N 436.640 6.112 30 10 IKEE C=CCOc1cn(CCC2=CCCCC2)c(CNc2ccc(OCCCC)cc2)cc1=O 1870813466 MDFZWJRGMLLDKZ-UHFFFAOYSA-N 436.596 6.095 30 10 IKEE CCCCCCCOc1cn(CCCCCC)c(CNc2ccccc2CC)cc1=O 1870839565 QBHNVYDHJSEDBK-UHFFFAOYSA-N 426.645 6.952 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)OC)c(=O)cc1CNc1ccc(F)cc1 1870875058 NDAXGYRMTROEPP-UHFFFAOYSA-N 446.563 5.292 30 10 IKEE C=CCn1cc(OCc2cccc3ccccc23)c(=O)cc1CNc1ccc(Cl)cc1C 1870918860 UBEUCPLUUMDOOH-UHFFFAOYSA-N 444.962 6.340 30 10 IKEE C#CCOc1cn(CCCCCC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871008791 NUYSESKEZWBGLH-UHFFFAOYSA-N 429.564 5.796 30 10 IKEE CCCCCCCCCCn1cc(OCCC)c(=O)cc1CNc1ccccc1C(C)C 1871105594 AQFAEMMMRRVDGM-UHFFFAOYSA-N 440.672 7.513 30 10 IKEE C=CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(CCCC)cc1 1871251878 AUODEYUFNXFTFQ-UHFFFAOYSA-N 427.548 5.440 30 10 IKEE CCN(CC)c1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CC)c(C)c1 1871252180 OCTSSOCXNDPWPP-UHFFFAOYSA-N 444.579 5.086 30 10 IKEE CCCCCCCCCCN=c1[nH]c(Nc2cccc(C(C)(C)C)c2)ncc1[N+](=O)[O-] 1871308660 VOTFDEFQLBECFT-UHFFFAOYSA-N 427.593 6.400 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(Cl)c(Cl)c1)C3=O)CN(CCOC(C)C)CO2 1871351732 TWCNSLHAFYSLMR-UKWGHVSLSA-N 448.346 5.495 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OC(=O)c3ccc(-n4cccc4)cc3)ccc2C1=O 1871383846 FYCJHRGSITTWSM-JCMHNJIXSA-N 427.481 5.683 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OCCCOc4ccccc4)ccc3C2=O)cc1 1871398095 IOBALDWAHRJREL-DIBXZPPDSA-N 443.543 5.997 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OCCCOc4ccc(C)cc4)c3C)C2=O)c1 1871406610 SDAKFEGSNZKYCK-UQQQWYQISA-N 430.500 5.776 30 10 IKEE COc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccccc4C)cc(C)c3C2=O)cc1 1871408246 CEEZBPITXGUMTL-YNJLWJOVSA-N 443.499 5.334 30 10 IKEE CCc1ccc(OCCCOc2ccc3c(c2C)O/C(=C\c2ccccc2OC)C3=O)cc1 1871412720 ACQLTLOOHKWGBU-ITYLOYPMSA-N 444.527 6.030 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCc4ccc(C(=O)OC(C)C)cc4)c3C)C2=O)o1 1871413962 FYLYJZGMLSYLEE-QRVIBDJDSA-N 432.472 5.657 30 10 IKEE Cc1cc(OCC(=O)N[C@H](C)c2ccccc2)cc2c1C(=O)/C(=C/c1ccccc1Cl)O2 1871424483 KYMQQTJSNIVSMC-SUVVMJBMSA-N 447.918 5.521 30 10 IKEE CCc1cccc(CC)c1NC(=O)COc1ccc2c(c1)O/C(=C\c1cccs1)C2=O 1871455773 WGUXEGSQQJYHTF-HMAPJEAMSA-N 433.529 5.507 30 10 IKEE C=CCN(CC=C)c1nc(=NCCCC)nc(Nc2ccc(Cc3ccccc3)cc2)[nH]1 1871658896 LDHQRPFDUCKWQB-UHFFFAOYSA-N 428.584 5.018 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 1871764898 PTBFLNMOEUZTSO-RUZDIDTESA-N 448.588 5.250 30 10 IKEE C=CCN([C@H](CCC)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1cc(C)ccc1C 1872428284 QROOLJVDUUIJOD-OAQYLSRUSA-N 449.016 5.249 30 10 IKEE CCOC(=O)Oc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 1872760405 NQEBFBBRTXOBBU-NRFANRHFSA-N 446.528 5.714 30 10 IKEE COc1ccc(OC)c(-c2csc([C@@H](C#N)C(=O)COc3ccc(Cl)c(C)c3)n2)c1 1872771129 MROPKKGYAIXDOS-KRWDZBQOSA-N 442.924 5.044 30 10 IKEE Cc1cc(-c2csc([C@H](C#N)C(=O)c3cccc(Oc4ccccc4)c3)n2)ccc1F 1872772764 SEYLSVBXCFGZGE-OAQYLSRUSA-N 428.488 6.540 30 10 IKEE C[C@@H](Oc1ccc(Cl)cc1)C(=O)[C@H](C#N)c1nc(-c2ccc(C(C)(C)C)cc2)cs1 1872773597 RLRUEOWYEGRLEJ-QRWLVFNGSA-N 438.980 6.405 30 10 IKEE Cc1ccc(-n2ncc(N/N=C/c3cccc(OCc4ccccc4)c3)c(Cl)c2=O)cc1 1873525491 GXCDOOCCNCREMF-JFLMPSFJSA-N 444.922 5.219 30 10 IKEE CCCOc1ccccc1/C=N/n1c(Cc2ccc(Br)cc2)nnc1SC 1874209202 YECKPLKNRFHBIW-HYARGMPZSA-N 445.386 5.024 30 10 IKEE CSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1c(F)cccc1Cl 1874214979 PRDWZGDELXAYHF-FSJBWODESA-N 439.343 5.340 30 10 IKEE CCCSc1nnc(COc2ccc(OCC)cc2)n1/N=C/c1c[nH]c2ccccc12 1874236344 DPHVDNKRKOGOJK-MFKUBSTISA-N 435.553 5.121 30 10 IKEE CCCCC1CCC(c2nnc(SCCCO)n2/N=C/c2c[nH]c3ccccc23)CC1 1874286365 BZNAGFIMDQCZND-YZSQISJMSA-N 439.629 5.580 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2ccco2)cc1 1874301729 NTZZQSDQYKQCKO-PCLIKHOPSA-N 432.549 5.344 30 10 IKEE COc1cccc(CCc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2C)c1 1874310166 IDBWVAKDXZOXFG-OVVQPSECSA-N 442.588 5.555 30 10 IKEE C=CCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc(Br)cc1 1874342970 RZJFVXWCKDPFLU-LPYMAVHISA-N 447.789 5.445 30 10 IKEE Cc1ccc(/C=N/n2c(CCOc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 1874344962 NSRHMQCMITUHCH-WPWMEQJKSA-N 446.551 5.522 30 10 IKEE Cc1ccccc1/C=N/n1c(CCOc2ccccc2)nnc1SCCc1ccccc1 1874346530 SYSDZTXHARNCPK-NHFJDJAPSA-N 442.588 5.425 30 10 IKEE Clc1cccc(CSc2nnc(CCOc3ccccc3)n2/N=C/c2ccccn2)c1 1874347456 OZZWLDNIINGMPX-WGOQTCKBSA-N 449.967 5.123 30 10 IKEE CCc1ccc(/C=N/n2c(COc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 1874383496 CPPLYVQKALUOOI-JVWAILMASA-N 446.551 5.733 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2/N=C/c2cccn2C)cc1 1874390658 YHCKUOPSDDEFKT-MFKUBSTISA-N 435.984 5.344 30 10 IKEE CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874391400 FXKBXUFGGUKLQJ-VKELSTCCSA-N 428.561 5.613 30 10 IKEE C(=N/n1c(Cc2cccs2)nnc1SCCc1ccccc1)\c1c[nH]c2ccccc12 1874413419 SODBBZNPLPPQPK-YZSQISJMSA-N 443.601 5.629 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2ccccc2)nnc1-c1cccs1 1874422583 UJWIVZCLBUZYLX-LFVJCYFKSA-N 434.590 5.970 30 10 IKEE COc1cc(/C=N/n2c(SCc3ccccc3F)nnc2-c2cccs2)ccc1O 1874422584 UKAMOGDMGMBHFV-FSJBWODESA-N 440.525 5.034 30 10 IKEE COC(=O)c1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2-c2ccccc2)cc1 1874425350 DHCKUGRQWDAUGI-WGOQTCKBSA-N 442.544 5.215 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc([C@@H]2CCCO2)n1/N=C/c1cccnc1 1874448547 FNZGZBXLNXNXCU-HPMPDSITSA-N 434.352 5.006 30 10 IKEE Clc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2[C@H]2CCCO2)cc1 1874450303 YMKDJRUTKQDOGR-BYWZACNXSA-N 433.364 5.611 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(C2CCCC2)n1/N=C/c1ccccc1 1874456848 NKSIIWXFGLYOSC-ZMOGYAJESA-N 431.392 6.417 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1/N=C/c1cccc(Cl)c1 1874477734 GSGWQROQCKAKGF-ZVHZXABRSA-N 441.988 5.196 30 10 IKEE O=[N+]([O-])c1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2)nnc1C1CCC1 1874497031 QNHYTAKFBOSYJZ-WSDLNYQXSA-N 427.917 5.282 30 10 IKEE CCCOc1ccccc1/C=N/n1c(CCC)nnc1SCc1ccc([N+](=O)[O-])cc1 1874506828 WTYONEGMJDGPKY-HZHRSRAPSA-N 439.541 5.102 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(C)nnc2SCc2ccccc2C)cc1OC 1874530224 XPCMVYBNQDHVLP-PCLIKHOPSA-N 438.597 5.647 30 10 IKEE C=C(C)CSc1nnc(C)n1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1874532675 VIXZLTXFJBWOGJ-CVKSISIWSA-N 428.561 5.869 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2c(OCc3cccc(C)c3)ccc3ccccc23)cc1 1874573906 LFLFATZXFGFSHM-VHEBQXMUSA-N 434.579 7.966 30 10 IKEE Cc1cc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(F)cc2)ccc1F 1874581388 LJZGWYDIFOXUCC-XCVCLJGOSA-N 441.861 5.840 30 10 IKEE C=C(C)COc1c(/C=C/C(=O)c2ccc(OC)c(F)c2)cc(Br)cc1OC 1874582633 YDFYGPFTPYVTBJ-FNORWQNLSA-N 435.289 5.456 30 10 IKEE Cc1ccccc1NC(=O)COc1ccccc1/C=C/C(=O)c1cc(Cl)ccc1Cl 1874591267 AYORWPFOYDJYSI-JLHYYAGUSA-N 440.326 6.215 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1OCc1ccccc1Cl 1874592799 CGKSYFZRKKVKTI-GXDHUFHOSA-N 428.915 6.977 30 10 IKEE C=CCOc1c(OC)ccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)c1Br 1874599342 IJRWPBKVLZCQQG-VQHVLOKHSA-N 431.326 5.544 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cccc(OCc2ccc(Cl)cc2)c1 1874600249 BYYZPXDVDKKCNU-DHZHZOJOSA-N 427.327 6.786 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Br)c1OCCCO 1874614145 HFAJMCFFRTVLNW-RUDMXATFSA-N 439.733 5.159 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc([N+](=O)[O-])c1OCc1ccc(Cl)cc1 1874614892 VWGQJGICKSSDCU-JLHYYAGUSA-N 437.879 6.122 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2cc(OC)ccc2OC)cc1 1874619304 UBPFPAMOKSCSJB-RVDMUPIBSA-N 445.515 5.180 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1OCCc1ccccc1 1874629315 WWXQGHSMENMDKQ-VAWYXSNFSA-N 448.990 7.100 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(C(F)(F)F)cc2)c1)c1ccc([N+](=O)[O-])cc1 1874698310 PVBNWPYTKCURCJ-YIXHJXPBSA-N 441.361 5.729 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1cccc(/C=C/C(=O)c2ccc3c(c2)OCO3)c1 1874707712 SFDANMQCAAJYLE-VMPITWQZSA-N 436.847 5.193 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)c2)cc1C 1874714046 BAXBYNLFOHASTL-JLOHOZFJSA-N 442.555 6.696 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(C)c(C)c1 1875094109 AYPURQZMKAHUCU-FMIVXFBMSA-N 445.471 5.726 30 10 IKEE CSCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1Cl 1875104835 QLAQAKBYQUCAMY-XBXARRHUSA-N 443.779 6.592 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1)c1ccc2cc(Cl)ccc2n1 1875111356 GBLQOMLUCXBLCQ-VGOFMYFVSA-N 448.305 6.657 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3OC)cc2Cl)cc1 1875118885 UAWQWXIMKMBCFX-UKTHLTGXSA-N 436.891 5.401 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc([N+](=O)[O-])c1OC(=O)CCc1ccccc1 1875127206 SPSXFCIQQWZTIJ-FYWRMAATSA-N 445.471 5.428 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(OC)c(OC)c3)cc2)cc1 1875129399 AEEKSGBAXBHSPZ-VIZOYTHASA-N 446.499 5.147 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3ccccc3C)cc2)c(C)c1 1875131311 QUTSLXKQZMQXNE-GHRIWEEISA-N 428.528 6.273 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)c1ccc(Cl)cc1 1875140817 ZFQXFRBAUMUCIE-NTUHNPAUSA-N 434.919 6.471 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)c1cnccn1 1875141885 AEGFNNQLZCWKNC-QPJJXVBHSA-N 440.858 5.092 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1OCC 1875171346 RSGVWNSYIMSCGT-WYMLVPIESA-N 438.564 6.483 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)COc1ccccc1 1875177163 XNNWEODZIRKMFN-SDNWHVSQSA-N 430.500 5.583 30 10 IKEE C#CC[C@@H](C)C[C@@H](NCCC)c1cc(Br)ccc1I 1887488212 GGWPEFMRKHKOSW-MLGOLLRUSA-N 434.159 5.144 30 10 IKEE O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cc(Br)cc(OC(F)(F)F)c1 1889932703 ANWVVPVTTBXHRP-UHFFFAOYSA-N 446.116 5.758 30 10 IKEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCS[C@H](c4ccccc4C)CC3)n[nH]2)c1C 1889946945 GIYUNBHXKIGMDY-QHCPKHFHSA-N 449.624 5.095 30 10 IKEE CCCN[C@H](CC#CC(C)(C)C)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1947486032 WRPMDNJTCDXVCH-PKTZIBPZSA-N 430.633 5.294 30 10 IKEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1953290267 SXFPPKCQCKFGDR-NBGIEHNGSA-N 443.588 5.353 30 10 IKEE C=CC1(C[C@@H](NC)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)CCC1 2002639338 PAJATNBJSYFFAB-ATIYNZHBSA-N 428.617 5.165 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2031501255 ZOAYWRORZDYYCQ-DVECYGJZSA-N 447.551 5.687 30 10 IKEE CCCCCCCCCCCCC(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2034439254 ZORUXNQOJCSZIO-DEOSSOPVSA-N 447.660 6.977 30 10 IKEE Cc1ccc(C2=CCC(C)(C)c3cc(C(C=Cc4ccc(C(=O)O)cc4)=NO)ccc32)cc1 2053631159 AUKGBKLQWDXBEP-UHFFFAOYSA-N 437.539 6.698 30 10 IKEE CCCN[C@]1(C#N)CCC[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)[C@H]1C 2055575945 ZVXCTENUPSKZDP-RTVRTQBESA-N 432.656 5.071 30 10 IKEE Cc1ccc([C@@H](C(C)C)n2nc(C3(C)CC3)c(C#N)c2I)c(C)c1 2079042726 PCFRXVSZBLUGBJ-QGZVFWFLSA-N 433.337 5.273 30 10 IKEE C[C@@H](c1ccc(C(F)(F)F)cc1)n1nc(C(C)(C)C)c(C#N)c1I 2079906378 ZCVFVMKVZGIHRI-JTQLQIEISA-N 447.242 5.285 30 10 IKEE Cc1cc(Cn2nc(C3CCCCC3)c(C#N)c2Br)ccc1Br 2080307390 UWFOEGGGEVEGOU-UHFFFAOYSA-N 437.179 5.684 30 10 IKEE CCCCCC#CC[C@H](NC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2083451670 BEMDVRRNNQJBCB-DEOSSOPVSA-N 441.660 5.108 30 10 IKEE CC[C@@H](CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3C[C@H](O)C4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C)C(C)C 2085138113 IWNCBADONFSAAW-DBIUZVIJSA-N 428.701 7.204 30 10 IKEE C=CCC[C@H](C)[C@H](NCCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2102101905 ZCDJJLJKFYSJTJ-KXBFYZLASA-N 425.411 6.439 30 10 IKEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1ccc(Cl)c(Br)c1 2124449004 PCOZPOQSWXUTGL-OAHLLOKOSA-N 444.757 5.018 30 10 IKEE CC1(C)CC=C(C(=O)[C@@H](Cc2ccc(Br)cc2)NC(=O)OC(C)(C)C)CC1 2181669008 QQBHNJUARIRPMD-GOSISDBHSA-N 436.390 5.591 30 10 IKEE COc1cccc(C)c1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2183190291 BJJGPKQWEIPRSP-QGZVFWFLSA-N 431.330 5.773 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCC)c2sc(C)c(Br)c2C)C1 2219012141 CSORRVXYEWDADP-INIZCTEOSA-N 429.424 5.392 30 10 IKEE C=CCCCCCC[C@H](O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237383224 HNBYOOICKDXJLN-UXHICEINSA-N 440.422 5.772 30 10 IKEE CCCCCCC[C@@H](NC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237397763 GNNNXOFPOKAPBD-UXHICEINSA-N 441.454 5.833 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)C2(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 2249551270 DYHGDKKDDBNHRK-QSVWGWLCSA-N 447.963 5.231 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(F)cc(Br)c1F 2272737326 BYBZWEGMZKELPW-NVXWUHKLSA-N 433.337 5.237 30 10 IKEE CC#CCC[C@@H](OCCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2276433289 INWHJRWJPIVMSF-HHHXNRCGSA-N 443.587 6.055 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Br)cc(C(C)C)c1 2280721147 XNBXUBAUVXFCHX-WOJBJXKFSA-N 437.422 5.530 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(CCCNc2c(Br)cccc2C#N)cn1 2285235431 UTSGTIHCTBERFM-UHFFFAOYSA-N 431.334 5.107 30 10 IKEE COc1ccc([C@@H]2C(=C(O)c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccc(F)cc2)cc1 2296082410 BRFUGELAKLJUHF-OAQYLSRUSA-N 437.854 5.114 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1CC[C@@H](O)C#Cc1ccc(Br)cc1 2296275095 XTDPNFWENIZOPP-YZGWKJHDSA-N 436.390 5.025 30 10 IKEE C[C@H](c1ccc(NC(=O)OC(C)(C)C)cc1)[C@H](O)C#Cc1ccc(Br)cc1 2296280848 DZOAJBFEKYLSPH-FOIQADDNSA-N 430.342 5.312 30 10 IKEE CCc1ccc(N=C2SC(=Cc3ccc(F)cc3)C(=O)N2c2ccc(CC)cc2)cc1 2296977178 YDCLQDJDJSNFFE-UHFFFAOYSA-N 430.548 6.759 30 10 IKEE C[C@@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC(=Cc1ccnn1C1CCCC1)C2=O 2297124290 NDZYXAXWOZOQAQ-DGPLORIASA-N 434.624 5.884 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 2297459053 GGQVKOBJGQNUHL-DEOSSOPVSA-N 440.455 5.086 30 10 IKEE C=CCc1ccccc1OCCOc1ccccc1C=C1N=C(c2ccccc2)OC1=O 2297624587 GFSBXDHTSMCFJH-UHFFFAOYSA-N 425.484 5.217 30 10 IKEE CN(C)[C@@H](CNc1oc(C=Cc2ccc(F)cc2)nc1C#N)c1ccc(C(F)(F)F)cc1 2297679783 OHXQIKDZGDDIQR-FQEVSTJZSA-N 444.432 5.589 30 10 IKEE O=C(C=Cc1ccc(-c2cccc(Cl)c2)o1)c1ccc(NC(=O)c2cccs2)cc1 2314523257 OJAKSLPKBZXBBM-UHFFFAOYSA-N 433.916 6.810 30 10 IKEE N#Cc1ccc(Oc2cc(Br)cc(I)c2)c(Cl)c1 2316687250 AOBTUNYJVSVNTR-UHFFFAOYSA-N 434.458 5.371 30 10 IKEE Cc1cc(CN(Cc2ccccc2)Cc2cccs2)ccc1B1OC(C)(C)C(C)(C)O1 2320592869 RPEDOLCZKYYDOB-UHFFFAOYSA-N 433.426 5.558 30 10 IKEE COc1cccc(C=C2Oc3cc(OCc4cccc(Cl)c4)cc(C)c3C2=O)c1OC 2321762404 XYQMITXDEIKTLU-UHFFFAOYSA-N 436.891 5.861 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCc3ccc(C(=O)OC)cc3)cc(C)c2C1=O 2321859574 CHEZOUXSCFOMNZ-UHFFFAOYSA-N 444.483 5.376 30 10 IKEE Cc1cc(OCc2nnc(S)n2N=Cc2c(O)ccc3ccccc23)cc(C)c1Cl 2322234524 OWBPZVYEDWLFDL-UHFFFAOYSA-N 438.940 5.157 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1cccc(Cl)c1)C3=O)CN(C1CCCCCCC1)CO2 2322415226 RTFSBROVMIHAOH-UHFFFAOYSA-N 437.967 6.529 30 10 IKEE COc1cccc(C=CC(=O)c2ccccc2Cl)c1OCC(=O)Nc1cccc(C)c1 2322437161 YMVIYRYIKJSYJL-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE CCc1ccc(NC(=O)COc2ccc3ccccc3c2C=CC(=O)c2ccc(C)cc2)cc1 2322591479 HSNUBAAZQWIHFM-UHFFFAOYSA-N 449.550 6.624 30 10 IKEE CCc1ccc(NC(=O)COc2c(C=CC(=O)c3ccc(C)c(C)c3)cccc2OC)cc1 2322901063 RDEQVNLZKORQCG-UHFFFAOYSA-N 443.543 5.788 30 10 IKEE Cc1c(OC(=O)C(Cl)(Cl)Cl)ccc2c1OC(=Cc1ccc(C(C)C)cc1)C2=O 2323038251 DPEUOBYHNZOPEV-UHFFFAOYSA-N 439.722 6.010 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)c(OC)c1 2323283268 MLEMYROUGGKUAD-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc([N+](=O)[O-])cc4Cl)c3C)C2=O)cc1 2323302713 NCNFTWSNBZRDLZ-UHFFFAOYSA-N 449.846 5.700 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(OC)c2)C3=O)cc1 2323371266 UWICMKHVLWVMEV-UHFFFAOYSA-N 444.483 5.167 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Cl)c1OCc1cccc(C)c1 2323758638 SHAANUVDMQGXGZ-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccccc3)cc2[N+](=O)[O-])cc1C 2323812377 DYKNBAATSKPQBD-UHFFFAOYSA-N 430.460 5.125 30 10 IKEE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)cc1 2323813059 SZLFIPDDWDLZGE-UHFFFAOYSA-N 445.427 5.217 30 10 IKEE Cc1sc(NN=Cc2cc(Cl)c(OCC(C)C)c(Cl)c2)nc1-c1cccs1 2323854387 SXVCTPKDMWSKGT-UHFFFAOYSA-N 440.421 6.968 30 10 IKEE O=C(C=Cc1ccc(OCCc2ccccc2)c(Cl)c1)c1ccc(Cl)c(Cl)c1 2323882142 GJDKTXMWCBLWNL-UHFFFAOYSA-N 431.746 7.164 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(C)c2)C3=O)cc1 2323882409 WRGLIWNDZVIAOP-UHFFFAOYSA-N 428.440 5.146 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1 2324055440 SBOWUWOCFAUAKO-UHFFFAOYSA-N 441.571 6.460 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc(C=CC(=O)c3cccc4ccccc34)cc2)c1 2324128214 PDEZXIFSKWWTKQ-UHFFFAOYSA-N 435.523 6.370 30 10 IKEE CCCOc1ccc2c(c1C)OC(=Cc1cc(Br)cc3c1OCOC3)C2=O 2324244832 ADBFXVPHTYIUSO-UHFFFAOYSA-N 431.282 5.029 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OCc1ccc(Cl)cc1 2324356431 BCXPCTMRWFYERH-UHFFFAOYSA-N 434.963 7.057 30 10 IKEE CCOc1ccc(C=CC(=O)c2cc(Cl)c(OC)cc2OC)cc1Br 2324426089 KHSCXPNWTZPUOF-UHFFFAOYSA-N 425.706 5.415 30 10 IKEE CCCC[C@@H](Oc1ccc2c(c1C)OC(=Cc1cccc(Br)c1)C2=O)C(=O)O 2324784529 LIWLTRRQYCXALJ-GOSISDBHSA-N 445.309 5.396 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1ccc2c(c1)OC(=Cc1ccc(OC)cc1)C2=O 2325005049 KBJRBXYLWQKYII-UHFFFAOYSA-N 443.499 5.200 30 10 IKEE C[C@@H](NC(=O)COc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O)c1ccccc1 2325019289 FAUMINLNUBQIMK-LJQANCHMSA-N 425.484 5.115 30 10 IKEE COC(=O)c1ccc(COc2ccc3c(c2)OC(=Cc2c(Cl)cccc2Cl)C3=O)o1 2325373137 ZDSOCIIJNGPURC-UHFFFAOYSA-N 445.254 5.568 30 10 IKEE Cc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(C(F)(F)F)cc1 2325631632 OSANDGWPAXKUDR-UHFFFAOYSA-N 426.467 5.933 30 10 IKEE COc1cccc(COc2cc(C)c3c(c2)OC(=Cc2ccc(OC)cc2OC)C3=O)c1 2325690875 MRQIOHWFGXZDCL-UHFFFAOYSA-N 432.472 5.216 30 10 IKEE O=C(C=Cc1cccc(OC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)c1)c1ccccc1Cl 2325718014 LKCDMQORAVRLCO-RTWAWAEBSA-N 437.322 6.599 30 10 IKEE CCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccccc1Cl 2326006711 WNTGUWVCZUOXHZ-UHFFFAOYSA-N 435.380 5.591 30 10 IKEE CSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1ccc(Cl)c(Cl)c1 2326358222 UGAFMEPGMHXKET-UHFFFAOYSA-N 449.407 5.817 30 10 IKEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(OCC(C)C)cc1 2326489574 NHOZPXKXYLVSJP-UHFFFAOYSA-N 449.407 6.103 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccccc1OC 2326524881 VOFYBOHQLNELTA-UHFFFAOYSA-N 442.972 5.378 30 10 IKEE CC(C)(C)c1cc(C=Nn2cnnc2SCc2ccc(C#N)cc2)cc(C(C)(C)C)c1O 2326660442 HVTMJBXUDXIHNY-UHFFFAOYSA-N 447.608 5.625 30 10 IKEE C=CCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1ccccc1Cl 2327019595 GGQPOCJHHUZGJF-UHFFFAOYSA-N 426.973 5.412 30 10 IKEE C=C(C)CSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccc(C(C)C)cc1 2327272701 LVUZWZFFSLHREF-UHFFFAOYSA-N 448.636 6.456 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(CCc3ccc(Cl)cc3)nnc2SC)cc1 2328003389 ZJMOOXZKMCHGIF-UHFFFAOYSA-N 428.005 5.167 30 10 IKEE CCCCOc1ccc(C=Nn2c(CCc3ccc(Cl)cc3)nnc2SC)cc1 2328003514 IARZKGVQWPYONZ-UHFFFAOYSA-N 428.989 5.500 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)C=Cc3ccc(F)cc3)C2)c1 2329101109 DUCBEENHPHTKJO-DEOSSOPVSA-N 449.570 5.098 30 10 IKEE CCSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1cccc(Br)c1 2329414237 LGFVELWPBCWLSM-UHFFFAOYSA-N 429.387 5.242 30 10 IKEE Cc1cccc(C=Nn2c(Cc3ccc(C)c(C)c3)nnc2SCc2ccccc2)c1 2329422038 OIMDFOCFHHOZJT-UHFFFAOYSA-N 426.589 5.969 30 10 IKEE CCCSc1nnc(COc2ccccc2)n1N=Cc1cc(Br)ccc1F 2329920940 LBEANCSIAFPBQK-UHFFFAOYSA-N 449.349 5.143 30 10 IKEE COc1ccccc1C=Nn1c(Cc2cccs2)nnc1SCc1ccc(F)cc1 2330335095 GADCOWDWYPRBDN-UHFFFAOYSA-N 438.553 5.253 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCc3ccc(Cl)cc3)nnc2-c2ccccc2)c1 2330684979 WHCDMLLRPJOKMJ-UHFFFAOYSA-N 434.952 5.787 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@@H]3CCCO3)n2N=Cc2cc(Cl)ccc2O)c1 2330994167 UOXWEWLFBQVWEM-FQEVSTJZSA-N 442.972 5.280 30 10 IKEE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2)cc1 2331138482 WAHGDBOXRGEIJW-LJQANCHMSA-N 448.946 6.732 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)[C@@H](C)c1ccccc1 2331183479 QTCIXAHHHBRFKK-FQEVSTJZSA-N 426.512 6.029 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)c1ccccc1F 2331312501 DXXQDJCMBSWDLF-UHFFFAOYSA-N 438.882 6.220 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)cc3)c([N+](=O)[O-])c2)c1 2331322648 YOYJVQFOLYYRDD-UHFFFAOYSA-N 435.863 5.980 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3OC)cc2)cc1OC 2331351648 MGBIGYUWMSTIJC-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE Cc1ccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C(C)(C)C)cc1 2331411718 FOESNDKANXTTPV-UHFFFAOYSA-N 433.408 6.365 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC(=O)C1CCCC1 2331414247 QHYFBVGYXBJNFS-UHFFFAOYSA-N 436.548 5.993 30 10 IKEE CCCCC(=O)Oc1c(OCC)cc(C=CC(=O)c2cccc3ccccc23)cc1[N+](=O)[O-] 2331478725 RGRNNXKNQXEISV-UHFFFAOYSA-N 447.487 6.138 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)c1cccs1 2331489172 DRFLOBWOEMWXBM-UHFFFAOYSA-N 440.948 6.649 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])cc1C 2331527528 FPPPAXRCEYZEEJ-UHFFFAOYSA-N 433.435 5.395 30 10 IKEE CC(C)COC(=O)CSc1nnc(C2CCC2)n1N=Cc1c(Cl)cccc1Cl 2331541604 LUDMPHCVBMKCHT-UHFFFAOYSA-N 441.384 5.026 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)CCCSC 2331767757 JYXSITXTBKNQQT-UHFFFAOYSA-N 442.577 5.574 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2331780563 VTFYCABKGZUJGR-UHFFFAOYSA-N 443.499 6.316 30 10 IKEE C=CCC(CC=C)[C@@H](NCC)c1ccc(I)c(Br)c1 2338737467 DNJQGTUSXHACHI-MRXNPFEDSA-N 434.159 5.473 30 10 IKEE CC[C@H](N[C@@H]1CCCN(Cc2ccccc2)CC1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363836687 PYBMFGALQNPZPE-FTJBHMTQSA-N 448.460 5.081 30 10 IKEE CCOc1cc(Br)c(Br)c(/C=N/c2cccc(Cl)c2)c1O 1509896 PGZUTYVYBKSRQJ-UFWORHAWSA-N 433.527 5.720 30 10 IKEE Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(SCCC(C)C)[nH]c(=O)c32)cc1 4793609 FYDPMVYWMHCHNX-IBGZPJMESA-N 437.609 5.417 30 10 IKEE O=C(CN1C(=O)/C(=N/N(c2ccccc2)c2ccccc2)c2ccccc21)Nc1ccccc1 8826508 UJXDQBVNPONBFQ-KDJFERLWSA-N 446.510 5.214 30 10 IKEE COc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1O 9601032 NKJHSBJSERJWFG-DFXYEROKSA-N 447.534 6.621 30 10 IKEE C=CCn1c(COc2cc(C)cc(C)c2)nnc1SCC(=O)Nc1cc(C)cc(C)c1 14125882 GFFRUPBQZZODOQ-UHFFFAOYSA-N 436.581 5.008 30 10 IKEE Cc1ccc(S/C(=N/c2ccccc2)N(Cc2ccccc2)Cc2ccc(O)cc2)cc1 15778715 QEIOYAWZJFIZEZ-ZQHSETAFSA-N 438.596 7.183 30 10 IKEE CCc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1 21251077 VZPYQSLCKSSJAP-NFQMXDRXSA-N 428.963 6.882 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccnc2)cc1 21253474 GGFNFFGMQTXBQC-DCFHFQCYSA-N 425.532 5.850 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(OCC(C)C)cc2)cc1 21258350 IRSSFEQNVRLDBR-OFNKIYASSA-N 433.548 5.124 30 10 IKEE C=C1CC[C@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CCSc1nnc(-c2ccc(OC)cc2)o1 33382988 YRGLKFYABDJLHS-CZSZKKDXSA-N 426.626 7.026 30 10 IKEE O=C(/C=C/c1ccccc1OC(=O)c1ccccc1Cl)c1ccc(Br)cc1 34955098 KQSVMBWQSIQWBR-SDNWHVSQSA-N 441.708 6.218 30 10 IKEE C=CCN(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)c1cccc(OC)c1 36105158 LDGNEYXEQYVWQL-UHFFFAOYSA-N 436.577 5.683 30 10 IKEE C=CCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2[C@@H]1c1ccc(OCCCC)c(OC)c1 39910791 GJVKKGQEOONAAG-QHCPKHFHSA-N 447.531 5.329 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccc(Cl)cc1 40080963 XDOKVZAZPICRFE-QFIPXVFZSA-N 441.955 5.753 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1ccc(CC)cc1 40093572 TUVNARAIOQZLSD-XMMPIXPASA-N 435.564 5.723 30 10 IKEE CN(C)c1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc3C2=O)cc1 41288697 MABIVMNMEDMKOW-XYGWBWBKSA-N 441.527 5.886 30 10 IKEE COc1cccc2cc(C(=O)Oc3ccc4c(c3C)O/C(=C\c3ccc(C)cc3)C4=O)oc12 41353885 UBOKQIJSJRKVNR-XKZIYDEJSA-N 440.451 5.894 30 10 IKEE Cc1c(Cc2ccccc2Cl)c(N2C[C@H](C)C[C@@H](C)C2)n2c(nc3ccccc32)c1C#N 47163618 GKAJXBNOTGVTRC-QZTJIDSGSA-N 442.994 6.394 30 10 IKEE Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/N(c2ccccc2)c2ccccc2)cc1 59151731 DBOORWKFQGTNEC-NHFJDJAPSA-N 442.540 5.935 30 10 IKEE Clc1ccc(CSc2n[nH]c(N/N=C/c3c4ccccc4cc4ccccc34)n2)cc1 59310063 IAZYAVAKRFBCOM-VULFUBBASA-N 443.963 6.503 30 10 IKEE O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(Br)cc1 96766170 FKKHBJNVBVBWFN-SSZFMOIBSA-N 429.317 6.198 30 10 IKEE CCCCCCOc1ccc(/C=C\C(=O)c2ccc(OC)c(CSCC(=O)O)c2)cc1 97996759 ZHYWUMBYTAUXCJ-LCYFTJDESA-N 442.577 5.868 30 10 IKEE CCCCCCCCCCCCCCCCNCC(=O)Nc1cccc(OCCOC)c1 100055830 LTQWHVKZSYALGS-UHFFFAOYSA-N 448.692 6.721 30 10 IKEE CCCCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@H](C)C3 101140117 FLUBBZFEGXQDEM-SFHVURJKSA-N 440.678 7.025 30 10 IKEE CCCCCCCCCn1c([C@H]2CC(=O)N(c3cccc(C)c3C)C2)nc2ccccc21 102199927 KAHKZBFQWXOHPL-QHCPKHFHSA-N 431.624 6.924 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1OCC 169884458 YZAJFHIYEDRFBK-LHLOQNFPSA-N 441.641 6.535 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\Nc2nc3cc(C)ccc3[nH]2)cc1Cl 169893347 MSFSGNJPRBFXOZ-ONUIUJJFSA-N 426.992 7.100 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccc(C)cc2C)cc1 169925765 NJGWBJUQTRUBLR-XMMPIXPASA-N 445.490 5.542 30 10 IKEE CCCN1C(=S)N[C@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C2=C1CCCC2=O 169929808 UIUOEUFGUFCTQQ-OAQYLSRUSA-N 428.642 5.636 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(F)cc2F)c1 169971315 HNYDHBOJBGSBRP-NRFANRHFSA-N 439.845 5.710 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)c(C)c2)[C@H]1c1ccc(O)c(OCC)c1 169974384 AKUXIRSRVWNTMF-HSZRJFAPSA-N 437.536 5.176 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@H]2c2ccccn2)c1 169996002 QHDJEQTVMZOLBQ-DEOSSOPVSA-N 436.467 5.026 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2cccc(C)c2)cc1 170028378 QODWZIQQLPBUMN-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccco2)cc1Cl 170092343 PTQSTMRDHWXVGN-JOCHJYFZSA-N 437.879 5.044 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccc(C)c2)c1 170140478 VDUGXCJOSWKFGL-HSZRJFAPSA-N 431.463 5.316 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2cccs2)cc1C(C)C 170157289 JECYGWIQGPNLOD-QFIPXVFZSA-N 449.528 5.369 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccncc2)ccc1OC(C)C 170200141 KQIXUTNGLKPAAX-HSZRJFAPSA-N 446.478 5.099 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccc2)c1 170234182 YNGOLVTXZAXGAZ-DEOSSOPVSA-N 445.490 5.393 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(Cl)c3)[C@H]2c2ccco2)cc1 170289781 RXDJXCLSAVJEBH-LJQANCHMSA-N 439.254 5.241 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3c(c2)C[C@H](C)O3)=C(O)C(=O)N1c1cccc(F)c1 170313722 QLKOQDQHMNGTSR-QKKBWIMNSA-N 449.503 5.302 30 10 IKEE CC(C)OC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)c1 170372651 MYPUIQSOTDHSEE-HSZRJFAPSA-N 441.483 5.035 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccccc2OC)cc1 170454039 XVEHYCIHXARYRP-QFIPXVFZSA-N 436.552 5.057 30 10 IKEE Oc1ccccc1C=Nc1ccc(OC(F)(F)C(F)F)c(N=Cc2ccccc2O)c1 254702715 ZAAYHSHFYGQLBP-UHFFFAOYSA-N 432.373 5.836 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(F)ccc(F)c1Br 407067464 CTMLGFAISSOGIO-PBHICJAKSA-N 433.337 5.237 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(C(C)C)cc2)cc1 526605014 YEVQNAHCLDFXLZ-AREMUKBSSA-N 438.527 6.138 30 10 IKEE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccc(Cl)c2)c1 526606551 FYOGPJPPHXVFSF-QHCPKHFHSA-N 446.890 5.286 30 10 IKEE CCCCOc1ccc(/C=N\n2c(CCC)nnc2SCc2ccc(F)cc2)cc1 526802475 INZKYLVZUVTFPH-XYGWBWBKSA-N 426.561 5.723 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1ccc(C(F)(F)F)cc1 526818978 KHECHWMLENSJTA-ZMFRSBBQSA-N 432.515 6.041 30 10 IKEE CCOc1cc(/C=N\n2c(CC)nnc2SCc2cccc(F)c2)ccc1OC(C)C 526825335 SPAXUQXQGNDJTQ-QFEZKATASA-N 442.560 5.340 30 10 IKEE N#Cc1cccc(C(=O)N(Cc2ccccn2)c2nc3c(C(F)(F)F)cccc3s2)c1 585168713 MSCILUSISKJZOT-UHFFFAOYSA-N 438.434 5.429 30 10 IKEE N#CCCCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1cccc(Cl)c1 586221967 UFNMMMXECFDRQL-UHFFFAOYSA-N 440.952 5.418 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCCCC12CCCC2 698461162 XNWFDYPBTFXORH-JOCHJYFZSA-N 433.390 6.587 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@H](C#N)c1cc(Br)c(Cl)s1 698928946 HFVBJXDTEMBQFW-CQSZACIVSA-N 447.826 6.689 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]([C@@](C)(C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)C1 699643653 KGUHIPFUADUXJJ-MHECFPHRSA-N 435.609 5.486 30 10 IKEE CCCCCCCCC[C@@H](NCC)c1scc(Br)c1Br 707817238 YUOUQUCLQCDUGX-CQSZACIVSA-N 425.274 7.064 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@H](C#N)c1ccc(Cl)c(Br)c1 710727217 ZONMDZQGCCOXCL-GOSISDBHSA-N 435.749 6.104 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 724086450 GLNLZZVQJOMJNV-CLOONOSVSA-N 443.588 5.714 30 10 IKEE Oc1c(Cl)cc(Cl)cc1C=Nc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 725427067 AKCBLWWUFCPPPD-UHFFFAOYSA-N 442.733 6.956 30 10 IKEE CCCCCCCCCCCCOc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2N)cc1 725428946 RVKHBKCZOBFWCK-LOSJGSFVSA-N 446.676 6.648 30 10 IKEE C#Cc1cccc(NC(=S)/C(=C(/O)c2ccccc2Br)[n+]2ccccc2)c1 726573586 LFXPCZZKYTWMIN-UHFFFAOYSA-O 436.354 5.041 30 10 IKEE O=[N+]([O-])c1cccc(C=Nc2ccc3nc(SCc4ccc(Cl)cc4)sc3c2)c1 1084096128 MQQPXFKWWJCPQL-UHFFFAOYSA-N 439.949 6.901 30 10 IKEE C=CCn1c(SCc2ccnc(O)c2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 1651599396 LAMWXFMGPURTQO-UHFFFAOYSA-N 439.537 5.151 30 10 IKEE Cc1cccc(N=C2S/C(=C/c3cn(C)c4ccccc34)C(=O)N2C2CCCCC2)n1 1772734896 FTQTYXZDICXDRX-KHDUAGGOSA-N 430.577 5.818 30 10 IKEE N#Cc1cccc(Cn2c(-c3ccccc3Cl)nc3sc4c(c3c2=O)CCCC4)c1 1857802621 BZBCVKKNTIMDJC-UHFFFAOYSA-N 431.948 5.577 30 10 IKEE Cc1ccc(-c2csc3nc(-c4ccccn4)n(Cc4cccc(C#N)c4)c(=O)c23)cc1 1857804250 NTTBSLIIUFNULG-UHFFFAOYSA-N 434.524 5.415 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)COc1ccc(Cl)cc1Cl 1861672676 PHWCLLWDDFVRED-LJQANCHMSA-N 445.431 5.524 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(OCCCCCC)cc1 1862136282 VJGOIZRTXBLDNB-SANMLTNESA-N 448.607 5.187 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(C)cc2)n(Cc2ccc(Cl)c(Cl)c2)n1 1862377990 QJBKMOKDYYTTSF-UHFFFAOYSA-N 440.374 6.028 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(N(C)C)cc1 1862380851 MKISPVFUADGGCZ-HXUWFJFHSA-N 447.362 5.294 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@H]1c1ccc(CC)cc1 1862390772 LVJBGYSDQFZRHA-RUZDIDTESA-N 433.592 6.360 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccccc2Cl)=C(O)C(=O)N1[C@@H](C)c1ccccc1 1862429746 UGHTXKXJMFJCPR-GAJHUEQPSA-N 431.919 5.988 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccccc1 1862442300 QXHYWKDKUOUOAG-JOCHJYFZSA-N 425.956 6.279 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1Cl 1862476581 MAOKIKLYMRMFCD-QHCPKHFHSA-N 439.983 6.587 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)cc1 1862502172 SQBHZAGRQGTCQS-VSUDMRMVSA-N 437.511 5.300 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862538102 DCKFSWVEXHOMJZ-FQEVSTJZSA-N 431.454 5.646 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCCCc2ccccc2)c1 1862589864 VUASXJVGSLMVHU-RUZDIDTESA-N 441.527 5.302 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@@H]1c1ccc(Cl)cc1)c1cccc(O)c1 1862591074 COXMEVBMWJMVAX-JOCHJYFZSA-N 437.923 5.514 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccccc1C(=O)O 1862615116 HSYBJHHSDPMEAV-NRFANRHFSA-N 435.520 5.061 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1ccc(C)cc1 1862636197 BDUQDBGJZVZLOQ-QFIPXVFZSA-N 425.500 5.301 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc2ccccc12 1862653764 VHLPSGVQAZMGLB-HFJWLAOPSA-N 435.523 6.370 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(C(C)C)cc2)=C(O)C(=O)N1[C@H](C)c1ccccc1 1862659623 BIIOOSFOXXWRLH-FQRUVTKNSA-N 439.555 6.458 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2cccc(O)c2)cc1 1862662966 OIZSPFZPBOCRLF-RUZDIDTESA-N 441.527 5.337 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2ccc(Cl)cc2)c1 1862700337 FDZKWYIUVUHSAJ-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccc(Cl)c1)c1ccc2ccccc2c1 1862712058 ITMGUNLMTZQLLI-GMAHTHKFSA-N 447.918 5.251 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C2CCCCCC2)c1 1862713397 NWNSHEMNQKNNDK-SANMLTNESA-N 439.555 6.449 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)c1 1862713808 XDIBZGPXDJVGEH-YQIFXUADSA-N 439.555 6.305 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(Br)cc1 1862718975 IKUNXKLVYIQWDL-HXUWFJFHSA-N 436.305 5.201 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 1862724890 WOULSNYSGHUTTH-DEOSSOPVSA-N 445.490 5.108 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccccc3F)C2=O)cc1 1862920367 KNOKFCLYAIVYSG-UHFFFAOYSA-N 439.490 5.391 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)cc2)=C(c2ccc(F)cc2F)C1=O 1863307268 VFSXCRFHSOAUCD-UHFFFAOYSA-N 430.470 5.656 30 10 IKEE N#Cc1ccc(NC2=C(c3ccccc3Cl)C(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 1863446063 SEQULSKQRZGZML-UHFFFAOYSA-N 448.309 5.257 30 10 IKEE CCCCCCCCCCNC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)O 1865862013 LSSWCSMZQGMPKW-UHFFFAOYSA-N 443.198 6.869 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(F)cc2)c(=O)cc1CN(CCC)CCC 1870625395 CMEZEICSZWGPMV-UHFFFAOYSA-N 444.635 6.549 30 10 IKEE CCCCCCCOc1cn(CCCOCC)c(CNc2cc(Cl)ccc2C)cc1=O 1870830161 GAPNZJMNLKRJHF-UHFFFAOYSA-N 449.035 6.198 30 10 IKEE C=CCn1cc(OCc2ccc(C(C)C)cc2)c(=O)cc1CNc1ccc(N(C)C)cc1 1870897259 FLAZGJYJYJUDRB-UHFFFAOYSA-N 431.580 5.415 30 10 IKEE C=CCn1cc(OCc2cccc3ccccc23)c(=O)cc1CNc1ccc(C)c(F)c1 1870918656 JJJZCRPIPGPOII-UHFFFAOYSA-N 428.507 5.826 30 10 IKEE CCCCCCCCn1cc(OC)c(=O)cc1CNc1ccc(Cc2ccccc2)cc1 1870997308 LDCYGOHCSPOYHR-UHFFFAOYSA-N 432.608 6.420 30 10 IKEE C=CCn1cc(OCCCOc2ccccc2)c(=O)cc1CNc1ccc(F)c(Cl)c1 1871085152 IALZSTQWANYQNI-UHFFFAOYSA-N 442.918 5.287 30 10 IKEE O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)Oc2c1ccc1c2CN(CCC2=CCCCC2)CO1 1871349467 NMZPNQQTXNSGQE-UCQKPKSFSA-N 432.476 5.253 30 10 IKEE COc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN([C@@H]2CCCC[C@H]2C)C4)c(OC)c1 1871351031 GXVCSHURXFCNNR-TVZDKZMWSA-N 449.547 5.359 30 10 IKEE O=C1/C(=C/c2c(F)cccc2Cl)Oc2cc(OC(=O)C(Cl)(Cl)Cl)ccc21 1871363288 PJNQHPMODHBMAG-AUWJEWJLSA-N 436.049 5.371 30 10 IKEE COc1ccccc1OCC(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871369104 ZOWBHGPYOOWQFO-QFEZKATASA-N 444.483 5.419 30 10 IKEE O=C1/C(=C/c2cccc(Br)c2)Oc2cc(OCCOc3ccccc3)ccc21 1871398343 DOQSGZHLRONBSR-HMAPJEAMSA-N 437.289 5.523 30 10 IKEE Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccncc2)C3=O)c(C)c1 1871402660 LITJPICGTCMUNB-JVMBGAFUSA-N 442.515 5.337 30 10 IKEE Cc1ccc(OCCCOc2cc(C)c3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)cc1 1871404633 ATICJMVJSPTQAM-IWIPYMOSSA-N 445.471 5.676 30 10 IKEE Cc1cc(O[C@H](C)C(=O)Nc2ccccc2)cc2c1C(=O)/C(=C/C=C/c1ccccc1)O2 1871407697 YNNWHAUUWTZWSL-BVLHABRRSA-N 425.484 5.573 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCc4cc(C)c(C)cc4C)ccc3C2=O)c1OC 1871417091 AYSZEWDAFJBJRN-MXAYSNPKSA-N 430.500 5.824 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1ccccc1 1871820602 OYBVDTCJFFGDQK-DEOSSOPVSA-N 442.625 5.403 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cccc(C)c1C)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872503246 UNYIIKCTGCDWSP-DEOSSOPVSA-N 442.625 5.150 30 10 IKEE COc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc1OC 1872776782 XHXQZAKJABBMLY-XGHQVWIYSA-N 432.545 5.840 30 10 IKEE COc1cc(OC)c(-c2csc([C@@H](C#N)C(=O)c3ccnc(Cl)c3)n2)cc1Cl 1872782399 IYAJYNABZXIIBE-LBPRGKRZSA-N 434.304 5.019 30 10 IKEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)Nc3cc(C)ccc3OC)cc2[nH]1 1872807259 YZLWSOQFGZHSLV-UHFFFAOYSA-N 443.503 5.276 30 10 IKEE COc1ccc(Br)cc1/C=N/Nc1oc([C@@H]2C[C@H]2c2ccccc2)nc1C#N 1873471032 UZKBZQMEHSNFKV-REUXIKODSA-N 437.297 5.034 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C(F)(F)F)cc2)cc2c(N(CC)CCCC)ncnc21 1873654804 WSRDSYPUDJOGQT-UHFFFAOYSA-N 445.489 5.515 30 10 IKEE C=CCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1cccc(Cl)c1 1874255814 GAOXKUFPFJRGLL-ZMOGYAJESA-N 426.973 5.596 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3F)n2/N=C/c2ccncc2)cc1C 1874358369 DDKNVRQXRQIHPE-JFLMPSFJSA-N 431.540 5.194 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cc(C)ccc3C)n2/N=C/c2ccccn2)cc1 1874389640 XEQKEVIYJAQFSX-JVWAILMASA-N 427.577 5.364 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccccc1 1874401679 SMSKBJOCSHVVRO-PMFZIYJTSA-N 432.980 6.258 30 10 IKEE O=[N+]([O-])c1cccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2cccc(F)c2)c1 1874417516 MLFSPUIBEXWSGN-MFKUBSTISA-N 447.495 5.091 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2-c2ccccc2)c1O 1874425528 NHVHVNHJBIUVIB-MFKUBSTISA-N 430.533 5.142 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2cccc(F)c2)cc1 1874426960 JXBMLXWQGDHNEN-CVKSISIWSA-N 445.523 5.006 30 10 IKEE Clc1ccc(CSc2nnc([C@H]3CCCO3)n2/N=C/c2cccnc2)c(Cl)c1 1874450800 JRBFVHVIBAWIIH-TVSCDJBNSA-N 434.352 5.006 30 10 IKEE CCOc1cc(/C=N/n2c(SCc3ccc(C)cc3)nnc2-c2ccco2)ccc1O 1874463874 GNMCHWUPMVSGCO-ZVHZXABRSA-N 434.521 5.125 30 10 IKEE Cc1ccccc1CSc1nnc(C2CCC2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874495181 YYBSBKWEZULGBK-LGJNPRDNSA-N 430.499 6.047 30 10 IKEE CC(C)(C)c1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CCC2)cc1 1874496092 UYYVWMDZLGECHS-CVKSISIWSA-N 439.028 6.671 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C2CCC2)c(O)c1 1874496305 FQLBLSZIXSGWAW-AUEPDCJTSA-N 449.363 5.438 30 10 IKEE CCCCOc1ccc(/C=N/n2c(C)nnc2SCc2cccc3ccccc23)cc1 1874533693 XBUQYMTVIIMKOZ-YZSQISJMSA-N 430.577 6.093 30 10 IKEE CC(C)(C)Cc1nnc(S)n1/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 1874560059 DWCWQQXECRHQAX-WYMPLXKRSA-N 449.407 5.923 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C)cc2)c1OCc1ccc(Cl)cc1Cl 1874579828 KSTCJSPHWNKBCV-ACCUITESSA-N 427.327 6.786 30 10 IKEE Cc1ccc(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1 1874581789 GISLKFFJQCXCEO-QGOAFFKASA-N 427.544 6.206 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccc(C)c(C)c2)cc1F 1874582587 VVIXNXVWPWPXOI-FMIVXFBMSA-N 433.479 5.365 30 10 IKEE COc1cc(Br)cc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)c1OC 1874586833 HBMNTHJHKIAQEK-SNAWJCMRSA-N 446.124 5.678 30 10 IKEE C[C@H](NC(=O)COc1cccc(/C=C/C(=O)c2ccc3ccccc3c2)c1)c1ccccc1 1874593087 REXOXHXZBZHCMK-UEBLJOKOSA-N 435.523 5.992 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc1OCc1ccccc1C 1874598633 WMZDBUNYKQVTGS-ACCUITESSA-N 444.571 6.919 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1OCc1cccc(F)c1 1874599878 IWAISWXFFCUNSG-JLHYYAGUSA-N 432.535 6.915 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2)c(Br)c1)c1cccc([N+](=O)[O-])c1 1874601782 CSHKNOKUJGBCLM-PKNBQFBNSA-N 438.277 5.832 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OCC(=O)Nc3nccs3)c(Cl)c2)c1 1874618026 GGKQPHOGESZUQL-FNORWQNLSA-N 426.925 5.327 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3F)c(Cl)c2)cc1Cl 1874636298 TZGCHTQHFXBQKO-RMKNXTFCSA-N 431.290 6.616 30 10 IKEE Cc1cccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc4ccccc4c3)c2)c1C 1874692749 VYDDQJSJJMGLKU-DTQAZKPQSA-N 436.507 6.337 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(Cl)cc3)c2)cc1 1874695787 RVYOUCIAKRJZGZ-SFQUDFHCSA-N 432.947 6.727 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OC(=O)c1ccc(F)cc1F 1874700989 WCJCYWYBWOYSKE-WTDSWWLTSA-N 428.818 5.742 30 10 IKEE Cc1cc(C(=O)/C=C/c2cccc(OC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)c2)ccc1F 1874703827 JFHIINNJDFCFOJ-WIRORWGXSA-N 446.518 6.527 30 10 IKEE COc1ccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c(F)c3)c2)cc1 1874707029 KZTAVZJLBQHPQJ-MDWZMJQESA-N 434.463 5.277 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)cc1C 1874714064 BXQBCQXRNOZEEJ-VQHVLOKHSA-N 446.415 5.235 30 10 IKEE CCC(=O)Oc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)c(Br)cc1OC 1874716568 YROWSLIYKCDXCJ-BQYQJAHWSA-N 431.326 5.594 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)cc2)c1 1875096690 ACBOAEJBSABTPL-SFQUDFHCSA-N 426.512 6.079 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2Cl)cc(OC)c1OC(=O)[C@@H]1CCCO1 1875110710 YQDJKDHGGTYPSJ-VIOKTNGOSA-N 426.896 5.058 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2cccc(Br)c2)cc1OC 1875114802 WHOCYJRVPUQXOO-CMDGGOBGSA-N 437.717 5.713 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)c(Cl)c1 1875118702 JUBCOBDBKPTOLE-PKNBQFBNSA-N 437.835 5.372 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H]3C[C@H]3c3ccccc3Cl)cc2)cc1 1875129601 KQPBCBPNHQKJQQ-PQDYJZNUSA-N 446.930 6.344 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OCCC)cc2)cc(OC)c1OC(=O)C(C)(C)C 1875138551 ACXHOXKIINHRFV-XNTDXEJSSA-N 436.548 6.060 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(C)c3)cc2)cc1 1875140957 GYLJBAOXDRKDEN-GIDUJCDVSA-N 434.463 5.413 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(N(C)C)cc3)c(Cl)c2)ccc1F 1875141751 SNJIHKRRYSMWKM-UUILKARUSA-N 437.898 5.969 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 1875142594 KMTBQDHBQUSTPC-YRNVUSSQSA-N 449.434 5.556 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1ccc(OC)cc1 1875145268 JDEKLOFEMWVXLR-NTUHNPAUSA-N 446.499 5.526 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2Cl)c(Cl)c1)c1ccc2c(c1)OCO2 1875150121 YCTHYRCEHHTAGH-VMPITWQZSA-N 441.266 5.837 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)CC(C)(C)C)c(Cl)c1 1875160772 IUVVPQGPKOEEKG-DHZHZOJOSA-N 442.983 6.884 30 10 IKEE C=C(Cl)CSC(C)(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1883383019 DMSSUJDEJSNQPS-FQEVSTJZSA-N 445.968 5.243 30 10 IKEE N#Cc1ccnc(OC[C@H]2CCCN(C(=O)[C@H](c3ccccc3)c3ccc(Cl)cc3)C2)c1 1891449202 GQQWKIGKENMSAA-NBGIEHNGSA-N 445.950 5.056 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCCCC[C@@]1(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 1912199173 PGELNNXOQWUAKG-KKSFZXQISA-N 436.557 5.044 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](O)c1ccc(NC(=O)OC(C)(C)C)cc1 1922056370 DKVPOZFNIGEQJM-ZEQRLZLVSA-N 440.584 5.208 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]12CCCC[C@@H]1N(C(=O)OC(C)(C)C)CC2 1922059295 FRTJBJUNERUZIQ-NLJOTIRTSA-N 442.644 5.697 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@@H]1Nc1cc(Br)ccc1C#N 1924914645 OTWVUMQQQGJSPO-CRAIPNDOSA-N 434.378 5.206 30 10 IKEE CC1(C)CC[C@@](C#N)(Nc2cccc(Br)c2)[C@@H](CNC(=O)OC(C)(C)C)C1 1927167433 TWVLQSNFHPEMBA-VFNWGFHPSA-N 436.394 5.474 30 10 IKEE CC[C@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)CN1C(=O)OC(C)(C)C 1996581010 ZLYDGRVVLVJVOQ-MHECFPHRSA-N 435.609 5.628 30 10 IKEE CC(C)[C@@H]1CC=C(C(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)CC1 2010745379 ZSDDIGBUBYRTEA-QFQXNSOFSA-N 426.601 5.107 30 10 IKEE C=CCN(CC[C@H](NC)c1c(Cl)ccc(Br)c1F)C(=O)OC(C)(C)C 2058346009 LXSBXJPJEDHKKZ-AWEZNQCLSA-N 435.765 5.315 30 10 IKEE Cc1cc(C)c([C@@H](n2nc(C3CC3)c(C#N)c2I)C(C)(C)C)c(C)c1 2080002168 SYQGCHQPEFOXCH-LJQANCHMSA-N 447.364 5.798 30 10 IKEE CCCOc1ccc([C@@H](C2CC2)n2nc(C3CCC3)c(C=NO)c2Br)cc1 2080064234 PSLTUCYBCWUZRM-HXUWFJFHSA-N 432.362 5.509 30 10 IKEE CC(C)Oc1ccc([C@H](C2CC2)n2nc(C3CC3)c(C#N)c2I)cc1 2080120059 UTYDNCYRYSYRFU-IBGZPJMESA-N 447.320 5.023 30 10 IKEE N#Cc1ccc(Nc2cc(Br)c(Br)c(Br)c2)cc1N 2095446378 VBCHPQZKKJSJGY-UHFFFAOYSA-N 445.940 5.172 30 10 IKEE CC1(C)OB(c2cnc(Oc3cccc(Cl)c3Cl)c(Br)c2)OC1(C)C 2115996514 OUFJJPPVOWJBRJ-UHFFFAOYSA-N 444.949 5.242 30 10 IKEE CCN(Cc1ccccc1Nc1ccc(Br)cc1C#N)C(=O)OC(C)(C)C 2162412128 BIKQTBYRNWQOHD-UHFFFAOYSA-N 430.346 5.821 30 10 IKEE C=CCCC1([C@@H](NCCC)C(=C)COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2247410653 HALOHPPYMVKEHK-QHCPKHFHSA-N 428.617 5.331 30 10 IKEE C=CCCC1([C@@H](NC)c2cc(Cl)cc(Br)c2)CN(C(=O)OC(C)(C)C)C1 2266310998 VZHOYDFAWJCZIW-KRWDZBQOSA-N 443.813 5.566 30 10 IKEE C=CCN(CC[C@H](NCCC)c1cc(F)cc(Br)c1F)C(=O)OC(C)(C)C 2288357953 UXWOBYREUIGYEZ-KRWDZBQOSA-N 447.364 5.581 30 10 IKEE Cc1cc(C)cc(N=C2NC(=O)C(=Cc3ccc(OCc4ccc(F)cc4)cc3)S2)c1 2294025401 RREZBSKKLMEWGZ-UHFFFAOYSA-N 432.520 5.913 30 10 IKEE CC(C)(C)OC(=O)NCC1([C@@H](O)C#Cc2cccc(Br)c2)CCCCCC1 2296219275 MLOJWBXINHUFHC-IBGZPJMESA-N 436.390 5.027 30 10 IKEE COc1cc(C=CC(C)=O)cc(Br)c1OCc1c(Cl)cccc1Cl 2296515076 MGQOAFCZZFRFBM-UHFFFAOYSA-N 430.125 5.946 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(Br)cc2)cc1)c1ccc(Cl)cc1 2314429899 RGDALBIXPQEXIF-UHFFFAOYSA-N 441.708 6.218 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2Oc3ccc(Cl)cc3C2=O)cc1F 2314519523 RMQYOGDYEVCSDE-UHFFFAOYSA-N 446.865 5.957 30 10 IKEE C=CCN(CC[C@@H](NC)c1cc(Cl)cc(Br)c1F)C(=O)OC(C)(C)C 2315455051 CXDAGKXEGHUYBV-OAHLLOKOSA-N 435.765 5.315 30 10 IKEE FC(F)(F)c1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CC2)cc1 2320858257 PTOKONRAXVCWQW-UHFFFAOYSA-N 436.890 6.002 30 10 IKEE Cc1cc(OCc2cccc(Cl)c2)cc2c1C(=O)C(=Cc1cn(C)c3ccccc13)O2 2321762463 UAGQYAHAYSZKHN-UHFFFAOYSA-N 429.903 6.335 30 10 IKEE CCCCCCCCCOc1ccc(C=Nn2c(S)nnc2CC(C)(C)C)cc1OC 2321937285 PWDZOCMRQMNSCF-UHFFFAOYSA-N 446.661 6.176 30 10 IKEE Cc1ccc(COc2ccccc2C=Nn2c(S)nnc2Cc2ccc(Cl)cc2)cc1 2322034989 BAHFBKWYWBPHQJ-UHFFFAOYSA-N 448.979 5.581 30 10 IKEE COc1ccc(C=C2Oc3c(ccc4c3CN([C@@H](C)c3ccccc3)CO4)C2=O)cc1OC 2322092439 HSARMVRBLNOIRB-KRWDZBQOSA-N 443.499 5.233 30 10 IKEE CCCCCOc1ccccc1C=Nn1c(S)nnc1COc1c(C)ccc(C)c1C 2322161040 PGEYUUKTXLKHTK-UHFFFAOYSA-N 438.597 5.522 30 10 IKEE Cc1cccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3ccc5c(c3)OCO5)C4)C2=O)c1 2322371885 FTYDIEVZODGARV-UHFFFAOYSA-N 441.483 5.000 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccccc1C=CC(=O)c1ccc([N+](=O)[O-])cc1 2322467035 MLIIFBSTPFEQAD-UHFFFAOYSA-N 430.460 5.125 30 10 IKEE Cc1c(OC(=O)c2ccc(Cl)cc2)ccc2c1OC(=Cc1c(F)cccc1Cl)C2=O 2322703664 AIDBIQUGFDJMPC-UHFFFAOYSA-N 443.257 6.276 30 10 IKEE O=C(C=Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccc(F)c(F)c1 2322779813 LWNWEQXOGAGDDN-UHFFFAOYSA-N 434.869 7.247 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cc(Cl)ccc1OCc1ccccc1Cl 2322856512 PXECWBGQUZMSJX-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE CCCNC(=O)COc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)ccc1OC 2323040573 SJOBATHBVHHPCN-UHFFFAOYSA-N 429.516 5.163 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3ccc(C)cc3C)c2)cc1OC 2323060159 ZVCXVCFUWOZPRH-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE CCOC(=O)c1ccc(COc2cccc(C=CC(=O)c3cc(C)c(OC)cc3C)c2)o1 2323323680 UEMRMHSFNZIGEO-UHFFFAOYSA-N 434.488 5.557 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC)c3ccccc23)cc1OCc1ccccc1C 2323328131 CFQOQXFFSAFHCT-UHFFFAOYSA-N 438.523 6.641 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC)c(OC)c2OC)cc1OCCc1ccccc1 2323336028 YFIRUCXOPDPKOY-UHFFFAOYSA-N 448.515 5.239 30 10 IKEE CCCOc1ccccc1C=CC(=O)Oc1cc(C)c2c(c1)OC(=Cc1ccncc1)C2=O 2323341487 GPBLIDCPMBGEGS-UHFFFAOYSA-N 441.483 5.414 30 10 IKEE Cc1cc(OC(=O)C=Cc2ccc(Cl)cc2Cl)cc2c1C(=O)C(=Cc1ccco1)O2 2323461620 FCXVJBUETLLQHE-UHFFFAOYSA-N 441.266 6.130 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)C=Cc4ccc(C(C)C)cc4)ccc3C2=O)cc1 2323503111 NEVUISYEGDPONJ-UHFFFAOYSA-N 438.523 6.607 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3cccc4ccccc34)c(Cl)c2)cc1C 2323561405 MHHQCRBZCLENOQ-UHFFFAOYSA-N 442.942 7.285 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)ccc1OCC(=O)Nc1c(C)cccc1C 2323627084 BVBSYXKUFIBHLI-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1)c1cccc(Cl)c1 2323766870 KWTWMKMIQHNSMI-UHFFFAOYSA-N 438.823 5.632 30 10 IKEE C=C(C)COc1c(Br)cc(C=CC(=O)c2ccc(Cl)cc2)cc1OCC 2323795914 FOLLHIIUZAUYDH-UHFFFAOYSA-N 435.745 6.352 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(F)c2)C3=O)c1 2323890254 BYNUHQMCVLOJMQ-UHFFFAOYSA-N 446.430 5.285 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1 2324295081 ZRWNTALQMOIPRG-UHFFFAOYSA-N 443.543 5.788 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OCc3ccc(C)cc3)c(OC)c2)c1 2324405545 NLGQBJMWEOPGLJ-UHFFFAOYSA-N 446.543 6.276 30 10 IKEE Cc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1C)OC(=Cc1sccc1C)C2=O 2324412973 RSXGAIHVIKRNEG-KRWDZBQOSA-N 433.529 5.696 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)cc1Cl 2324608391 RIMWIHLKOTZICU-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE C[C@H](Oc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O)C(=O)Nc1ccc(Cl)cc1 2324610130 SZBCWVPRNJYRTL-AWEZNQCLSA-N 437.854 5.501 30 10 IKEE N#C[C@H](C(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc3ccccc23)cs1 2324640131 FOBZFDGYJWQHGA-OAQYLSRUSA-N 425.469 5.761 30 10 IKEE COc1cccc(C=Nn2c(Cc3ccccc3)nnc2SCc2cc(C)ccc2C)c1 2325489417 YVMAPHMPLBGLNU-UHFFFAOYSA-N 442.588 5.669 30 10 IKEE CCc1nnc(SCc2ccccc2)n1N=Cc1ccc(OCc2ccccc2)cc1 2325590062 OPNUFZCKABBNCP-UHFFFAOYSA-N 428.561 5.594 30 10 IKEE COc1ccc(CCOc2cc(C)c3c(c2)OC(=Cc2ccc(OC)c(OC)c2)C3=O)cc1 2325631465 ZDQSSJCFUOFVDB-UHFFFAOYSA-N 446.499 5.259 30 10 IKEE CCCCCCOc1ccc(C=Nn2cnnc2SCc2cccc(C)c2)cc1OC 2325648690 FTDLPWTXMVBBCM-UHFFFAOYSA-N 438.597 5.729 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)c2)cc1 2325706240 ZMDKMZQKGLBRRK-RPWUZVMVSA-N 430.931 6.508 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1cccc(C)c1)C2=O 2325737648 PKEJQVIXMHARTI-UHFFFAOYSA-N 427.500 5.500 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1OC(=O)CCc1ccccc1C 2325753255 LCVYKHWLFXHFHR-UHFFFAOYSA-N 436.454 5.716 30 10 IKEE CCc1nnc(SCc2ccccc2F)n1N=Cc1cc(Cl)c(OC)c(Cl)c1 2326269272 QHSRCZMGAFOTMV-UHFFFAOYSA-N 439.343 5.470 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCCC)n1N=Cc1sccc1C 2326475081 YURXRLHYRBPBIW-UHFFFAOYSA-N 428.583 5.176 30 10 IKEE COc1ccc(C=Nn2c(C)nnc2SCc2cccc3ccccc23)cc1OC(C)C 2326637374 ZPZIFVGPAPXQDI-UHFFFAOYSA-N 446.576 5.710 30 10 IKEE CCSc1nnc(COc2ccccc2Cl)n1N=Cc1ccc(Cl)c(Cl)c1 2327638456 ZPLJEHVNMYWTJA-UHFFFAOYSA-N 441.771 5.812 30 10 IKEE Cc1ccccc1CSc1nnc(COc2c(C)cccc2C)n1N=Cc1cccnc1 2328545833 NKDFQKRHXAAART-UHFFFAOYSA-N 443.576 5.352 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccc(C)c(C)c3)n2N=Cc2ccccc2)cc1 2328769682 FIYSFFKXWUEQDF-UHFFFAOYSA-N 442.588 5.957 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2N=Cc2cccnc2)cc1C 2329445789 NFBNQBWBHRRTTO-UHFFFAOYSA-N 447.995 5.709 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2C)n1N=Cc1c(Cl)cccc1Cl 2329484471 GDKNPNRQTOERIB-UHFFFAOYSA-N 445.419 6.229 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccc(C)cc3)nnc2[C@H](C)c2ccccc2)c1 2330051083 CKGDLULIALXFCF-HXUWFJFHSA-N 442.588 5.921 30 10 IKEE Cc1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2[C@@H](C)c2ccccc2)cc1 2330078563 RHRJCIAUXGAMFH-IBGZPJMESA-N 430.552 6.052 30 10 IKEE COc1cccc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccccc2C)c1 2330232567 TVLOZFPUQRETRV-UHFFFAOYSA-N 434.609 5.892 30 10 IKEE COCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1OC 2330592237 PIPJPJQHWZMAND-UHFFFAOYSA-N 436.891 5.464 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)C=Cc1cccc([N+](=O)[O-])c1)[C@@H](C)CC 2330627194 SYYAAKQUDHWYTP-RDPSFJRHSA-N 445.604 5.396 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(Cl)c1OC(=O)[C@@H]1CCCO1 2330676936 XYFGKIHNFCYZQL-QFIPXVFZSA-N 440.923 5.208 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3ccccc3)cc2)cc1C 2330855721 LBMMJERIYJWSAX-UHFFFAOYSA-N 430.500 5.664 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc([C@@H]2CCCO2)n1N=Cc1cccs1 2330975710 SRLAOHYXRRALCY-INIZCTEOSA-N 439.393 5.672 30 10 IKEE O=[N+]([O-])c1cccc(C=Nn2c(SCc3ccc(F)cc3)nnc2C2CCCC2)c1 2331033075 BOTPYKAYCCQGKO-UHFFFAOYSA-N 425.489 5.158 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccccc3OC)cc2[N+](=O)[O-])cc1 2331069287 WDIXLMADGQCSNA-UHFFFAOYSA-N 431.444 5.281 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OC(=O)Cc1ccc(F)c(C)c1 2331158277 ZJHGQZKCYJCYJJ-UHFFFAOYSA-N 438.882 5.840 30 10 IKEE COc1cc(C=Nn2c(SC)nnc2-c2ccco2)ccc1OCCCc1ccccc1 2331165247 PEJVMBQCTNASDI-UHFFFAOYSA-N 448.548 5.162 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)[C@@H]1C[C@H]1c1ccccc1Cl 2331183758 IQKVDISIVOSQPM-LEWJYISDSA-N 432.903 5.954 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(OC)c(OC)c3)cc2)cc1 2331188422 AEEKSGBAXBHSPZ-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE Brc1ccc(C=Nn2c(SCc3ccccc3)nnc2-c2ccco2)cc1 2331205008 TWCVIBUAGMEFGO-UHFFFAOYSA-N 439.338 5.475 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)CCOc1ccccc1 2331231434 BTTFWJHWFUQWHL-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)c1ccc2c(c1)OCO2 2331231612 ILHBNLCAAAVVEW-UHFFFAOYSA-N 444.483 5.546 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3[N+](=O)[O-])c(Cl)c2)ccc1F 2331337505 FCYVJZUCMUDHJL-UHFFFAOYSA-N 439.826 5.811 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccccc2OC)c(Cl)c1 2331358851 VCBBNGFRFHCNQP-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3cc(OC)ccc3OC)cc2)cc1 2331381061 CXCIFSHXGWFRGP-UHFFFAOYSA-N 444.527 5.701 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCCc3ccccc3)nnc2C(C)(C)C)cc1 2331398136 LIENNEGNMQRUFV-UHFFFAOYSA-N 436.625 5.972 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(F)c2)ccc1OC(=O)c1ccccc1F 2331463925 DYNSOWNLFNDVQA-UHFFFAOYSA-N 438.426 5.487 30 10 IKEE COc1cc(C=Nn2c(SCc3ccc(F)cc3)nnc2C2CCC2)cc(Cl)c1O 2331491601 VJYAIJWBYIHTGW-UHFFFAOYSA-N 446.935 5.227 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1OCC 2331624778 SUMAWXNVWRJPBV-UHFFFAOYSA-N 444.955 6.356 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)cc2)cc1 2331644747 SAPAGQCIVNYGJH-UHFFFAOYSA-N 442.555 6.363 30 10 IKEE CCCSc1nnc(CCC)n1N=Cc1ccccc1OCc1ccccc1Cl 2331657650 NKVIMPCAQXYQTI-UHFFFAOYSA-N 428.989 5.847 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)Oc3ccc(Cl)cc3)cc2)cc1C 2331704603 JYDJUYKMKSOGTR-LJQANCHMSA-N 434.919 6.226 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccccc3)cc2)c(OCC)c1 2331733831 RRLOXVGUVPSIFC-UHFFFAOYSA-N 446.499 5.365 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(C)c3)c(OC)c2)cc1Cl 2331834948 GGTFRJCONHAKNI-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(C=CC(=O)c3cc(C)c(OC)cc3C)cc2)CC1 2331835528 HNNNNBSTONXNLC-UHFFFAOYSA-N 448.603 7.110 30 10 IKEE C[C@H](c1cccs1)N(Cc1ccccc1)c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339578187 CZSIRNTXIWZIAY-UHPIZROJSA-N 446.425 6.556 30 10 IKEE CC(C)[C@@H](Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)[C@H](C)NC(=O)OC(C)(C)C 2339578443 HDJFFCJJVHBGAZ-FXAWDEMLSA-N 446.397 5.043 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C(C)(C)C 2339592296 NZPYUQIILVEIKJ-SFHVURJKSA-N 446.397 5.044 30 10 IKEE O=C[C@]1(Cc2ccc(I)c(Br)c2)CCCCC12CC2 2349921156 QDLCGUVJAQWHRK-MRXNPFEDSA-N 433.127 5.136 30 10 IKEE CCCCCCC[C@@H](NCCC)c1ccc(OCc2ccccc2)cc1Br 2361210198 RBEPKDQIFPEVFV-XMMPIXPASA-N 432.446 7.429 30 10 IKEE C#Cc1cc(NCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)ccc1OC 2370185027 MMOHAVFEHHWKBV-UHFFFAOYSA-N 449.550 6.447 30 10 IKEE C=C(C)CN(CC)C(=O)CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1F 11022103 FZNVSKJFUIQAQN-UHFFFAOYSA-N 444.963 5.244 30 10 IKEE C=CCn1c(-c2sc(NC(=O)c3sc4ccccc4c3C)nc2C)n[nH]c1=S 25515445 BBPLVSLANYGULD-UHFFFAOYSA-N 427.580 5.334 30 10 IKEE C/C(=N/OCc1ccccc1C#N)c1cc(-c2ccc(F)cc2)n(-c2cccc(C)c2)c1C 35843462 HLNPWUWOEAAEOC-GTWSWNCMSA-N 437.518 6.713 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccc(OC)cc1 40081070 QFYGURHKXHGMAS-QHCPKHFHSA-N 437.536 5.108 30 10 IKEE O=C1/C(=N\Nc2cc(Cl)ccc2Cl)c2ccccc2N1Cc1ccc([N+](=O)[O-])cc1 59165176 ZHWHYFNEAZMFMW-QQTULTPQSA-N 441.274 5.265 30 10 IKEE COC(=O)c1c(/N=C/c2ccc(OC)c3ccccc23)sc(Cc2ccccc2)c1C 59460340 PMSPEAGOLXREPP-JVWAILMASA-N 429.541 6.346 30 10 IKEE Cc1cc(NS(=O)(=O)c2ccc(/N=C/c3ccccc3OCc3ccccc3)cc2)no1 59466980 DTWLIOBEEKNZJJ-PCLIKHOPSA-N 447.516 5.113 30 10 IKEE C=CC(C)(C)[C@H](C(=O)OC)[C@H](O)c1ccc(OCc2ccccc2)cc1OCC=C(C)C 71973900 FAJUZELWJXCGBQ-LOSJGSFVSA-N 438.564 5.645 30 10 IKEE C=CCn1c(SCc2ccccc2C(=O)NCC(C)C)nnc1-c1ccccc1Cl 85410537 CNLQKGYXEISUMJ-UHFFFAOYSA-N 441.000 5.463 30 10 IKEE CCCCCCCC(=O)NCc1ccc(-c2ncc(-c3cc(OC)ccc3OC)[nH]2)cc1 97940609 NFZFQXSSSYCWNF-UHFFFAOYSA-N 435.568 5.738 30 10 IKEE CC1CCN(S(=O)(=O)c2ccc(/N=C/c3c4ccccc4cc4ccccc34)cc2)CC1 100041670 XOHJBJIRQOJVFF-TURZUDJPSA-N 442.584 6.164 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)CNc1cccc(C(F)(F)F)c1 100099248 ARNZAEKVEODGSC-UHFFFAOYSA-N 442.610 7.715 30 10 IKEE CCN1C(=O)/C(=C/c2cn(C)c3ccccc23)S/C1=N/c1nc(-c2ccccc2)cs1 101130253 PQPULIOAFATMMG-JFDXAFBFSA-N 444.585 5.926 30 10 IKEE COc1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)cc1 102619021 ZEPFUZRFCKHNMF-AGGMBTAESA-N 437.854 5.114 30 10 IKEE N#CCc1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1 145200597 CPVPJNQNFTVOQX-UHFFFAOYSA-N 435.523 6.490 30 10 IKEE CCCOc1ccc([C@H]2NC(=S)N(CCC)C(C)=C2C(=O)c2ccccc2)cc1OC 169928784 SEISCQHVUCBRAD-HSZRJFAPSA-N 438.593 5.282 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2cc(C)cc(C)c2)c1 169930019 OYRXOZBBUGLJGC-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(C)c(C)c2)=C(O)C(=O)N1c1ccc(C)cc1C 169945174 SBZCDOREGQOGEM-RUZDIDTESA-N 441.527 5.712 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1c1ccccc1C 169946182 UMNRZUVHLGIOEA-AREMUKBSSA-N 449.506 5.940 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccc(O)cc1)c1c[nH]c2ccccc12 169961553 YUSRUMIZNKZMTO-QFIPXVFZSA-N 444.874 5.310 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2cccc(C)c2)cc1 169972493 NMUCPTRLTQSYHH-XMMPIXPASA-N 445.490 5.311 30 10 IKEE CC(C)Oc1ccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccccc2)cc1 169977682 XWSYQWZPBREAEZ-SANMLTNESA-N 441.527 5.576 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(Cl)cc2)=C(N2CCc3ccccc32)C1=O 170069831 YDADNEGZPQUZQY-UHFFFAOYSA-N 436.983 5.843 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2sccc2C)cc1 170105680 ZNTHMDXOIWKXPD-OAQYLSRUSA-N 444.512 5.329 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccccn2)c1 170167689 MKHRAKZZLJNRJF-DEOSSOPVSA-N 436.467 5.026 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccncc1 170204909 PGMQTYVCOVYNGY-XMMPIXPASA-N 436.467 5.026 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc(OCC)c1 170217750 ALZVADOCCLKCJN-XMMPIXPASA-N 429.516 5.617 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2)ccc1Cl 170221621 TZWBGURJKDCTNI-HXUWFJFHSA-N 439.920 5.189 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 170226575 APRUCSADDWTPSN-HSZRJFAPSA-N 447.918 5.910 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2)ccc1OC(C)C 170231536 UGLRYQSKKDKDQG-XMMPIXPASA-N 433.548 5.693 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCCC)c2)[C@@H]1c1ccc(Cl)cc1 170236615 FZTKVONAPQFENQ-QFIPXVFZSA-N 441.955 5.897 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(F)cc2)cc1 170242343 DEHXVACEWGAUII-HSZRJFAPSA-N 437.511 5.524 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1c[nH]c2ccccc12 170255351 BADKEUZVVMDANV-DEOSSOPVSA-N 446.547 5.581 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccco2)c1 170279159 PAQHJWAIYIGXJQ-XMMPIXPASA-N 439.467 5.614 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(C)o2)cc1Cl 170298975 WXVVZZLLGHFALW-HXUWFJFHSA-N 441.842 5.172 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2sccc2C)cc1 170315202 YKCHBIJSYHSLAX-QHCPKHFHSA-N 439.536 6.301 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(OCCC)c1 170323344 WTQLDNASHORTGC-NRFANRHFSA-N 427.928 5.507 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(Cl)cc(Cl)c2)[C@@H]1c1ccccc1F)c1ccncc1 170381842 IBXXTPHYEUUUDV-LJQANCHMSA-N 443.261 5.310 30 10 IKEE Cc1cc(C)c2oc(-c3ccc(C)c(N=Cc4cc(Cl)cc(Cl)c4O)c3)nc2c1 252640024 YPPRBAZKCCDRNP-UHFFFAOYSA-N 425.315 7.183 30 10 IKEE CCCOc1c(Cl)cc(/C=N\n2cnnc2SCc2ccc(F)cc2)cc1Cl 526801679 ZEASJYPLIFEGNQ-VROXFSQNSA-N 439.343 5.687 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1ccc(OCC)c(Cl)c1 526811429 KBSKQPXUIDVZPC-QFEZKATASA-N 443.016 6.074 30 10 IKEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1ccc(Cl)c(Cl)c1 526814000 IMPKCDONFGTGHB-UYOCIXKTSA-N 446.190 6.375 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C)n2/N=C\c2ccccc2COc2ccccc2)c1 526818499 LVIQAUMSAKRKBG-YUMHPJSZSA-N 442.588 5.957 30 10 IKEE CC(=Nn1c(-c2ccccc2F)csc1=NCCc1ccccc1)c1ccc(Cl)cc1 606348044 FVNKLSKJKNSSCW-UHFFFAOYSA-N 449.982 6.425 30 10 IKEE CC(C)N(C(=O)OC(C)(C)C)[C@H](C#N)c1ccc(Br)c(Br)c1 698415577 PNGFYQUHUNPGFU-CQSZACIVSA-N 432.156 5.422 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCCC[C@@H]1C(C)(C)C 698453788 GPCIOSVAXLLPNK-XMSQKQJNSA-N 435.406 6.689 30 10 IKEE CCOc1cccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)c1 698480675 AMERUSNHDMFCOL-LJQANCHMSA-N 431.330 5.854 30 10 IKEE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@@H](C#N)c1cccc(Cl)c1Br 719726069 MQHVARLVXZTANZ-WFASDCNBSA-N 429.742 5.083 30 10 IKEE CN1C(=O)C[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)SC1=Nc1ccc(Cl)cc1 725419002 RXJZOCWFXMJWKJ-HNNXBMFYSA-N 442.755 5.237 30 10 IKEE Cc1ccc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2cccc(O)c2Cl)c(C)c1 762440163 SOSDOWYPVTZDEV-UHFFFAOYSA-O 436.944 5.145 30 10 IKEE CCC(C)=NNc1nc2cc(C)c(NC(=O)c3ccc(Cl)cc3Cl)c(C)c2s1 1081377930 APVUVRCLCYSJIR-UHFFFAOYSA-N 435.380 6.670 30 10 IKEE O=C1/C(=C\c2cc3c(cc2Cl)OCO3)SC(=Nc2ccccc2)N1C1CCCCC1 1083960956 MWDAFVRUOSWTFH-DHASMODTSA-N 440.952 6.005 30 10 IKEE CCOc1cc(C=NNc2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc2ccccc12 1084066253 GBBMEMKXZGQDNI-UHFFFAOYSA-N 441.487 6.172 30 10 IKEE COc1cccc(C=Nc2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c1OCC#N 1084187571 KLXDPLPBOKHCFH-UHFFFAOYSA-N 445.544 5.541 30 10 IKEE C[C@H]1CN(c2ccc([N+](=O)[O-])cc2C=Nc2ccc3c(c2)oc2ccccc23)C[C@@H](C)O1 1084283270 RWZXQKINCTWOLT-CALCHBBNSA-N 429.476 5.858 30 10 IKEE COC(=O)c1c(N=Cc2c3ccccc3cc3ccccc23)sc(Cc2ccccc2)c1C 1084393584 ZWXJGVBCPOCVPC-UHFFFAOYSA-N 449.575 7.491 30 10 IKEE Cc1ccc(N=Cc2cc(C)n(-c3ccc(I)cc3)c2C)c(C)c1 1084633969 DHSWEKWSBOBBHS-UHFFFAOYSA-N 428.317 6.066 30 10 IKEE C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCCN(Cc2ccccc2)C1 1508017654 UHRSJZFLCNEYDX-DQEYMECFSA-N 449.643 5.000 30 10 IKEE C=C(C)[C@H]1CC[C@@]2(C=O)CC[C@@]3(C)[C@@H](CC[C@H]4[C@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@@]43C)[C@H]12 1565535118 MHAVMNJPXLZEIG-MEALUWHTSA-N 438.696 7.412 30 10 IKEE CC1(C)Cc2ccc([C@H](C#N)OC(=O)[C@@H]3[C@@H](/C=C(/Cl)C(F)(F)F)C3(C)C)cc2O1 1615199316 FWQQOTTYQXSXDD-JMUKJIFFSA-N 427.850 5.465 30 10 IKEE Cc1ccc(S(=O)(=O)n2cc(C[C@@H]3CCCC[C@@H]3CCC=O)c3cc(F)ccc32)cc1 1616049078 RIYPEZISYYVQNV-UXHICEINSA-N 441.568 5.654 30 10 IKEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1Nc1cnn([C@H]2CC2(F)F)c1 1690683317 HIYILSFXLNUHAY-IBGZPJMESA-N 442.514 5.000 30 10 IKEE O=C1/C(=C\c2ccc[nH]2)SC(=Nc2nc(-c3ccccc3)cs2)N1c1ccccc1 1772734929 FXZSKEMOQIHKGK-CXJFQJJYSA-N 428.542 5.947 30 10 IKEE C=CCN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=Nc1nc(-c2ccccc2)cs1 1772740211 ZCAJPDQMZRYJHP-DTNFBPRUSA-N 442.569 6.081 30 10 IKEE O=C1NC(=NN=Cc2ccc(-c3ccccc3)o2)S[C@@H]1Cc1ccc(Cl)cc1Cl 1772742327 LZDOGRFRMSDAQR-LJQANCHMSA-N 444.343 5.418 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@H]1c1ccc(OCC)cc1 1862392868 IDSYKXYXPPKROW-RUZDIDTESA-N 449.591 6.196 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2C2CC2)cc1 1862463323 QZXGRGMFERAUGN-OAQYLSRUSA-N 445.437 5.024 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1c(Cl)cccc1Cl 1862467236 LJBWNIFQZCTNPH-KRWDZBQOSA-N 444.236 5.397 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cc(Cl)cc(Cl)c2)cc1 1862482244 LARPCFWUORHDAA-FQEVSTJZSA-N 442.298 5.673 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2cccc(Cl)c2)c1 1862491084 LQJAMFWOTSKMEE-HSZRJFAPSA-N 449.909 5.874 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CC(C)C)cc1 1862496286 GVLIRYJYBBHFBD-DEOSSOPVSA-N 435.564 5.717 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccccc2C)ccc1F 1862507592 PCSUQCZFERHLCI-HSZRJFAPSA-N 449.909 5.874 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(C(C)C)cc1 1862527080 ODKLZCJQSGGLOL-FQEVSTJZSA-N 440.337 5.337 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@H]2c2cccc(F)c2)cc1 1862530818 YMTHCEQCNGSIHV-DEOSSOPVSA-N 445.490 5.045 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2cccc(Cl)c2)cc1 1862591759 NACRVVBJMYSKFX-QFIPXVFZSA-N 433.891 5.133 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccc(Cl)c1 1862660587 KJBFCJLCCZPAIS-QFIPXVFZSA-N 425.956 6.088 30 10 IKEE CCOc1ccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862799138 XZOJFUQRSWQDJT-UHFFFAOYSA-N 443.890 5.007 30 10 IKEE CCCCCCCCCCNC1=C(c2cccs2)C(=O)N(CCCN(CC)CC)C1=O 1863803964 SDXKCOLHKNXBPS-UHFFFAOYSA-N 447.689 5.290 30 10 IKEE Cn1nc(-c2ccccc2F)c(C#N)c1NC(=O)CCCOc1ccc(C(C)(C)C)cc1 1865933096 BJQKHXCBVKBDIV-UHFFFAOYSA-N 434.515 5.193 30 10 IKEE CCCCC1CCC(C(=O)Nc2c(Br)cc(C#N)cc2Br)CC1 1866011127 UDNNXKPYSMPGHQ-UHFFFAOYSA-N 442.195 6.018 30 10 IKEE CC[C@](C)(NC(=O)C[C@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1cccc(C#N)c1 1866781398 IPOLRKWMJABEBG-SQHAQQRYSA-N 443.522 5.143 30 10 IKEE CCCCCCCCCCn1cc(OCc2cccc(OC)c2)c(=O)cc1CN(C)C 1870610418 KUQXAHWLVOQYPS-UHFFFAOYSA-N 428.617 5.638 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccccc2C)cn1CCc1ccccc1 1870626533 BCBOOIBBNUKHOB-UHFFFAOYSA-N 428.576 5.152 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OC)c(=O)cc1CNc1ccc(Cl)cc1C 1870872618 OHEZSAQNAKQWFR-UHFFFAOYSA-N 448.991 5.335 30 10 IKEE C=CCn1cc(OCCCCOc2ccc(C)cc2)c(=O)cc1CNc1ccccc1CC 1871225988 GBZNQRIPVSTVRX-UHFFFAOYSA-N 446.591 5.755 30 10 IKEE CCCCCCCCn1cc(OCCCO)c(=O)cc1CNc1ccc(F)c(Cl)c1 1871266988 TXXYJSILGVZSBZ-UHFFFAOYSA-N 438.971 5.375 30 10 IKEE CCc1ccc([C@H](C)N2COc3ccc4c(c3C2)O/C(=C\C=C\c2ccccc2)C4=O)cc1 1871354348 NYAFDENCJFPZRA-FFOLXXKJSA-N 437.539 6.335 30 10 IKEE Cc1cc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(Cl)c2)C3=O)ccc1[N+](=O)[O-] 1871373331 ADFPSTNCTYHVOJ-MTJSOVHGSA-N 449.846 5.700 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2OCC)C3=O)cc1 1871375651 WLJFTPCATUMSNX-XYGWBWBKSA-N 444.483 5.248 30 10 IKEE CCOc1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1 1871380156 ZPHPNJVPDIEFOB-QIIGYZROSA-N 440.495 5.937 30 10 IKEE Cc1c(Cl)cccc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccco1)C2=O 1871405404 DEKDZEVVOSPEAV-OFNOZLENSA-N 437.879 5.572 30 10 IKEE N#Cc1ccc(COc2ccc3c(=O)c(-c4ccc5c(c4)OCCCO5)coc3c2)cc1 1871417655 ORHSTYKIPXFQLG-UHFFFAOYSA-N 425.440 5.072 30 10 IKEE CCc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1 1872761439 NHYRWCPTBGFKFW-VOQZNFBZSA-N 443.572 5.158 30 10 IKEE COc1ccc(C)cc1-c1csc([C@H](C#N)C(=O)C(c2ccccc2)c2ccccc2)n1 1872770767 DUDGHSQIIGBHHQ-JOCHJYFZSA-N 438.552 6.136 30 10 IKEE N#C[C@@H](C(=O)C(c1ccccc1)c1ccccc1)c1nc(-c2c[nH]c3ccccc23)cs1 1872777047 FAFWICYMDJOKTC-NRFANRHFSA-N 433.536 6.300 30 10 IKEE Cc1ccc(C)c(CC(=O)[C@H](C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)c1 1872779113 BSUCBZWYIODUPY-DEOSSOPVSA-N 438.552 6.638 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@H](C#N)C(=O)c3cc(Cl)ccc3Cl)n2)c1C 1872780656 KNOZLGUUGRCOJQ-QGZVFWFLSA-N 429.372 6.841 30 10 IKEE COc1cc(-c2csc([C@H](C#N)C(=O)c3ccc(C)c(C)c3)n2)c(OC)cc1Cl 1872783093 REGXVTYBHXWILK-MRXNPFEDSA-N 426.925 5.588 30 10 IKEE Cc1cc(C)c(-c2csc([C@H](C#N)C(=O)Cc3ccc(Br)cc3)n2)c(C)c1 1872786100 DJMYRGSWFCLIJJ-GOSISDBHSA-N 439.378 5.917 30 10 IKEE CCOC(=O)Oc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1 1872789402 ICWBCLSXTVJELP-CYBMUJFWSA-N 432.910 5.550 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccc(C)cc2)=C(c2ccccc2)C1=O 1873157913 ZIZIPAUIYUYZET-UHFFFAOYSA-N 432.608 6.005 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C)c2)=C(c2cc(F)c(F)cc2F)C1=O 1873242087 NMJDFTJTVWQYPI-UHFFFAOYSA-N 444.497 5.965 30 10 IKEE CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccccc1OC(C)C 1874243853 CRTCNLHYASBJKV-WGOQTCKBSA-N 438.641 5.818 30 10 IKEE C=C(C)CSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1cccc(OCC)c1 1874288180 RERKYUNCGDDUKE-YZSQISJMSA-N 440.657 6.691 30 10 IKEE Cc1ccccc1/C=N/n1c(CCOc2ccccc2)nnc1SCc1ccccc1C 1874344890 KAGYUMVPSMQZMB-OVVQPSECSA-N 442.588 5.691 30 10 IKEE Cc1cccc(CSc2nnc(CCOc3ccccc3)n2/N=C/c2cccc(F)c2)c1 1874345131 YAIZUNLNGMDLND-WPWMEQJKSA-N 446.551 5.522 30 10 IKEE CCCSc1nnc(CCc2ccccc2C)n1/N=C/c1c(OC)ccc2ccccc12 1874362002 IPZZYCWYYBZNAN-OVVQPSECSA-N 444.604 5.918 30 10 IKEE CCSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874387985 OKGPVHRFIMGIEL-OVVQPSECSA-N 442.588 5.751 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2cccc3ccccc23)n1/N=C/c1cccnc1 1874399170 ITACTONXZNOWRO-CJHIPLPSSA-N 449.583 6.153 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCCc2ccccc2)n1/N=C/c1ccc(Cl)cc1 1874399699 CKJBABPICXXOAM-WRGIWNTCSA-N 447.007 6.300 30 10 IKEE Oc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccccc2F)cc1 1874402695 JUYAZICQXCXIPI-WGOQTCKBSA-N 432.524 5.083 30 10 IKEE O=C(O)c1ccccc1/C=N/n1c(SCc2cccc(Cl)c2)nnc1-c1ccccc1 1874430711 USBFYTBKLPOVJB-AFUMVMLFSA-N 448.935 5.471 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2ccc([N+](=O)[O-])cc2)nnc1C1CCCC1 1874454651 SCWHEEIUWBICAE-OEAKJJBVSA-N 437.525 5.027 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CCCC2)c(O)c1 1874456540 WZZIWUIZFZZAQB-FSJBWODESA-N 428.945 5.175 30 10 IKEE CN(C)c1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C(F)(F)F)cc1 1874463153 VLLRAJFKUZVTHY-BHGWPJFGSA-N 439.894 5.191 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1cccc2ccccc12 1874478505 DBRQWRRVHQXPEH-WGOQTCKBSA-N 434.996 6.602 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C(C)(C)C)c(OC)c1 1874484317 PPKWVQZDOIKUQX-ZMOGYAJESA-N 444.988 5.421 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C(C)(C)C)cc1 1874485573 CHRJQPHVCOQXLI-WYMPLXKRSA-N 449.407 6.066 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C(C)(C)C)cc1 1874486813 LUYGWDZVQFEAMX-DHRITJCHSA-N 430.980 6.105 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1cccc(Cl)c1 1874517492 WQODTMNIZDQIBD-AUEPDCJTSA-N 439.799 6.536 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3ccc(C)cc3)c(OC)c2)cc1OC 1874602995 JRYWPMQYFJNOAR-ZRDIBKRKSA-N 448.515 5.505 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc([N+](=O)[O-])c1OCc1ccccc1 1874633251 SWAYYIRDWNURFM-ACCUITESSA-N 431.488 6.085 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1OC(=O)Cc1ccc(Cl)cc1 1874699029 ZVXDDBLKFJEWGN-ONNFQVAWSA-N 442.845 5.671 30 10 IKEE COc1ccc(OCC(=O)Oc2cc(/C=C/C(=O)c3cc(C)ccc3C)ccc2OC)cc1 1874703333 KSJBPPQFDFMVFX-NTUHNPAUSA-N 446.499 5.201 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1Cl 1875096307 HTZZEWVFPOCNES-NTUHNPAUSA-N 444.889 6.677 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3ccco3)c(OC)c2)cc1OC 1875099017 QALJLRZRYOLVSG-SOFGYWHQSA-N 442.851 5.074 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3C)c(OCC)c2)cc1 1875107708 FKPMIAMGKQHLPO-NBVRZTHBSA-N 442.555 6.852 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2Cl)c([N+](=O)[O-])c1)c1ccccc1Cl 1875113584 OKBCFNQUQPCGAA-PKNBQFBNSA-N 442.254 6.017 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1 1875123628 WEYAMPBYTHXLBW-DTQAZKPQSA-N 434.919 6.309 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC(C)C)c(Br)c2)cc1 1875137520 QFUAXCQYTBVPTN-VZUCSPMQSA-N 445.353 6.086 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)COc2ccc(C)cc2C)cc1 1875143674 LESWVKQDRMABOZ-FMIVXFBMSA-N 430.500 5.501 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3F)cc2)c1 1875171795 NLQKXSBBIOTWOQ-RVDMUPIBSA-N 448.490 5.667 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3c(C)cc(C)cc3C)cc2)cc1 1875182663 OLJVLUOAYUCEGX-VGOFMYFVSA-N 428.484 5.652 30 10 IKEE COc1cccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3cc(C)c(OC)cc3C)cc2)c1 1875186665 HGAWLYBSKUTNQN-JLHYYAGUSA-N 446.499 5.201 30 10 IKEE C=CC[C@H](C)[C@@H](NCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875650983 OOORZVGASTVTLA-GJDOKZOISA-N 445.603 6.068 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]12CCCC[C@H]1CN(C(=O)OC(C)(C)C)C2 1922095298 SKVYCKGMVFOPHI-NLJOTIRTSA-N 442.644 5.555 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC[C@]2(C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)C1 1944433423 WXJZWSWCWTXTLE-PRCFCKQXSA-N 447.601 5.024 30 10 IKEE CCCCCCCC[C@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)NCC 1947471948 YKCCZYOSBKGZMV-XMMPIXPASA-N 433.681 5.742 30 10 IKEE C[C@@H]1CC[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)[C@H](OCc2ccccc2)C1 1953269985 RXGJZCWWOWCCQX-DBTWGZIYSA-N 434.580 6.091 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@](C#N)(N(C(=O)OC(C)(C)C)C3CCCCC3)C[C@H]2C1 1996804886 CWZRLQZHEUJSRB-PFWHTEFJSA-N 433.593 5.095 30 10 IKEE C=C1C[C@@H]1C[C@H](NCCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997454489 DLPXKPOSLCYYKB-MVERNJQCSA-N 428.617 5.165 30 10 IKEE C[C@@H](N(Cc1ccccc1)C(=O)OC(C)(C)C)C(C)(C)Oc1c(N)ccc(F)c1C#N 2021603572 KSNBQXFWBHIUFU-MRXNPFEDSA-N 427.520 5.263 30 10 IKEE Cc1cc(Br)c([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)s1 2029266345 CZKQOLMZUDKDSU-HNNXBMFYSA-N 425.323 5.965 30 10 IKEE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2037937298 XKPWKEVKEPSYII-WOJBJXKFSA-N 437.559 5.618 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@]1(C=O)Cc1ccc(Cl)c(Br)c1F 2047986358 ZOPHZPOXISMGOM-SFHVURJKSA-N 434.733 5.143 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)C1(C#N)CC2(CC(NC(=O)OC(C)(C)C)C2)C1 2056503756 GQRUSWJMMAVCNQ-UHFFFAOYSA-N 441.572 5.466 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2070600211 ADSXIZCHILZCPV-OSPHWJPCSA-N 447.551 5.497 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CN(C(=O)OC(C)(C)C)[C@@H]1C(C)(C)C 2076161742 UTXRTEZOXJHPJD-CLOONOSVSA-N 443.588 5.664 30 10 IKEE N#Cc1c(C2CC2)nn([C@@H](c2ccc(C(F)(F)F)cc2F)C2CCC2)c1Br 2079904852 PHQWCESANBDCGP-QGZVFWFLSA-N 442.254 5.942 30 10 IKEE CC1([C@@H](c2ccc(C3CCC3)cc2)n2nc(C(F)(F)F)c(C#N)c2Br)CC1 2079982753 AXYFMYWWYSZYQS-QGZVFWFLSA-N 438.291 6.193 30 10 IKEE Cc1ccc(-c2ccc(CN3CCN(C)c4ccc(-c5ccc(C#N)s5)cc43)o2)cc1 2087926882 IFARQCFINIOESE-UHFFFAOYSA-N 425.557 6.312 30 10 IKEE C=C(CNc1cc(Br)c(Br)c(Br)c1)c1ccccc1 2095438900 BPNISWXKNZZRGC-UHFFFAOYSA-N 445.980 6.099 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Cl)cc(Br)c1 2136661620 SZVBJPVIMZCJBE-QZTJIDSGSA-N 443.813 5.450 30 10 IKEE CCCC#CC[C@H](NCCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2138991571 USXOBPOBIHTGSU-NDEPHWFRSA-N 441.615 7.079 30 10 IKEE C=CCCCCCC[C@@H](NC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2141907954 JTBIMYIGKHYOOM-MUUNZHRXSA-N 443.631 7.632 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCC(C#N)(Nc3cccc(Br)c3)CC2)C1 2156002291 RQGSKYPRILFGLD-UHFFFAOYSA-N 434.378 5.325 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H](Nc2ccc(C#N)c(Br)c2F)C1 2162337148 FLTXYTYCFNDCLO-OAHLLOKOSA-N 438.341 5.051 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(C)c(Br)c(C)c1 2227360527 SYBAHNROLMIDQT-MJGOQNOKSA-N 425.411 5.576 30 10 IKEE C=CCCCCCCC[C@@H](NC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2235526827 OWAMQAQPQUWQFZ-LJQANCHMSA-N 439.438 6.973 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)C(C)(C)N(CC)C(=O)OC(C)(C)C 2235747820 SYYNOHCODWVUNN-LJQANCHMSA-N 437.422 5.204 30 10 IKEE CC(C)[C@H](C)N(Cc1ccccc1)C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2247801801 HSDMZUPIRVOIMP-INIZCTEOSA-N 447.837 5.388 30 10 IKEE C#C[C@@H](C)[C@H](OCCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2262615987 FZLNJGWEILZAKW-DFHRPNOPSA-N 429.560 5.520 30 10 IKEE N[C@@H](C#Cc1ccc(Br)cc1)c1cccc(Br)c1Br 2278795456 HAKDJYYTZBDCDP-AWEZNQCLSA-N 443.964 5.026 30 10 IKEE C#CCN(C[C@H](NCCC)c1cc(Br)cc(C(C)C)c1)C(=O)OC(C)(C)C 2280709408 VUJDSPVTYPMSIL-FQEVSTJZSA-N 437.422 5.484 30 10 IKEE CC(C)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N(Cc2ccccc2)CC(C)(C)C)c1 2282652231 MESULMKVTVRVKO-UHFFFAOYSA-N 449.444 5.798 30 10 IKEE CC(C)(C)OC(=O)N1CCCc2ccc(Nc3c(Br)cccc3C#N)cc21 2285180855 MJRDCRQXLSFTQR-UHFFFAOYSA-N 428.330 5.752 30 10 IKEE CCCCCCOc1ccc(C=CC(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC 2293189806 LERXWLIUWBKEHR-UHFFFAOYSA-N 438.593 6.118 30 10 IKEE C=CCCCCC[C@@H](OCCCN)c1scc(Br)c1Br 2294057820 YWAXQKNHUXYBQX-CYBMUJFWSA-N 425.230 5.816 30 10 IKEE O[C@H](C#Cc1ccc(Br)cc1)c1c(Cl)cc(Br)cc1Cl 2296228999 FPLLAPOEQQUTNJ-CQSZACIVSA-N 434.942 5.604 30 10 IKEE CN[C@H](C#Cc1ccc(Br)cc1)c1cc(F)ccc1NC(=O)OC(C)(C)C 2296288243 DTJDWSCCMNEXRJ-GOSISDBHSA-N 433.321 5.247 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)CCC[C@H](CC)NC(=O)OC(C)(C)C 2296293204 GZKKQPMQVPKGDU-PMACEKPBSA-N 437.422 5.252 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)c4ccc(Br)cc4)ccc3C2=O)o1 2296694474 CJWNMWCWALCZOE-UHFFFAOYSA-N 439.261 5.228 30 10 IKEE Cc1ccc(N=C2SC(=Cc3ccccc3OCc3ccccc3C#N)C(=O)N2C)cc1 2297461957 PAYRFYHAYXRJCI-UHFFFAOYSA-N 439.540 5.680 30 10 IKEE CCN1C(=O)C(=C2C=Cc3cc(C)ccc3N2CC)OC1=Nc1ccc2sc(C)nc2c1 2297708476 LZNSUMQSYKWBQC-UHFFFAOYSA-N 444.560 5.544 30 10 IKEE CC(C)N(C(=O)OC(C)(C)C)C1(C#N)CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 2307667441 QXPLWXDCZOTYNU-IQJRZOLZSA-N 435.609 5.341 30 10 IKEE COc1ccccc1C(=O)Oc1ccccc1C=CC(=O)c1ccc(Br)cc1 2314430230 ZFPSJZFSMGROMN-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE O=C1C(=Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)Oc2ccc(Cl)cc21 2314519347 KRVFSMWUURVAMN-UHFFFAOYSA-N 443.846 5.717 30 10 IKEE COc1ccc(C(C)=C2SC(=Nc3cccnc3Cl)N(c3ccccc3)C2=O)cc1 2314539878 DBFNSLYGKSHSOS-UHFFFAOYSA-N 435.936 5.942 30 10 IKEE Cn1cc(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CC2)c2ccccc21 2320873769 RZHRANIVWJXVDF-UHFFFAOYSA-N 437.572 5.975 30 10 IKEE COc1ccc(C=C2Oc3cc(OCc4ccccc4Cl)cc(C)c3C2=O)cc1OC 2321761175 JYUSVVQQZMHIEQ-UHFFFAOYSA-N 436.891 5.861 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O3)CN(C[C@@H]1CCCO1)CO2 2321961703 JBAGAIGPFFDVEJ-INIZCTEOSA-N 446.330 5.249 30 10 IKEE COC(=O)COc1c(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc(Cl)cc1OC 2322305242 BWPKIOIABJXHBY-UHFFFAOYSA-N 436.891 5.464 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2cccc(C)c2C)cc1OC 2322346835 SDGJIINQJGJJPX-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE Cc1cc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)ccc1F 2322634664 FCVOWZKNVUSLOO-UHFFFAOYSA-N 449.736 7.569 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(F)c(C)c2)c1OCc1cccc2ccccc12 2322638121 VGUWWHXHSSPOBB-UHFFFAOYSA-N 426.487 6.771 30 10 IKEE Cc1c(OC(=O)c2ccccc2F)ccc2c1OC(=Cc1ccc(Cl)cc1Cl)C2=O 2322795572 VZXJOBKLNAYTLV-UHFFFAOYSA-N 443.257 6.276 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccccc2OCC(=O)N[C@H](C)c2ccccc2)c(C)c1 2322942038 USFMAUPAUYQMTM-JOCHJYFZSA-N 427.544 5.764 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OCC(=O)Nc1ccc(C)c(C)c1 2323153349 CPCYWMAHFNYFBU-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCC(=O)OCCC)c([N+](=O)[O-])c2)cc1 2323540514 MDDDOQGWBBWGPX-UHFFFAOYSA-N 425.481 5.166 30 10 IKEE CCOc1c(Br)cc(C=CC(=O)c2ccccc2OC)cc1Br 2323701194 RBWUEKHEOUABGH-UHFFFAOYSA-N 440.131 5.515 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Cl)c1OCc1ccc(F)cc1 2323719578 ICSAGCPSYHNTKN-UHFFFAOYSA-N 432.825 6.241 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Cl)c1OCc1ccccc1C 2323767172 DJNBDOCEWMYBSK-UHFFFAOYSA-N 441.354 7.176 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1nccs1 2323812805 NIXOOWRHIZCFMD-UHFFFAOYSA-N 442.924 5.109 30 10 IKEE CCOc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccccc4)ccc3C2=O)cc1 2324400462 FYGJHLINEFHLJN-QGZVFWFLSA-N 429.472 5.108 30 10 IKEE CCCOC(=O)[C@H](CC)Oc1ccc2c(c1C)OC(=Cc1cn(CC)c3ccccc13)C2=O 2325079430 RTMNIAOEVMYDKS-QFIPXVFZSA-N 447.531 5.696 30 10 IKEE COc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2cccc(C)c2)cc1 2325471431 WHPTYSUURIVKNM-UHFFFAOYSA-N 428.561 5.360 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(F)c(Cl)c4)ccc3C2=O)o1 2325592849 XMASGIKQVMKOLR-UHFFFAOYSA-N 427.815 5.014 30 10 IKEE CCCCCCCCC(=O)Oc1cccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)c1 2325669567 CMNRDYXRXWWHLD-UHFFFAOYSA-N 440.583 7.906 30 10 IKEE CCCC(=O)Oc1cc(C=CC(=O)c2cccc(OC)c2)c(Br)cc1OC 2325707299 NXKIPJATTLXBTB-UHFFFAOYSA-N 433.298 5.068 30 10 IKEE CCCCCCCCC(=O)Oc1cccc(C=CC(=O)c2ccc(Br)cc2)c1 2325716657 ZBEPUPBHIAETFC-UHFFFAOYSA-N 443.381 7.001 30 10 IKEE CCCC(=O)Oc1cc(C=CC(=O)c2ccc(F)cc2F)c(Br)cc1OC 2325725748 CDYXFWCQIGSLEM-UHFFFAOYSA-N 439.252 5.338 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)CCc3cccc(OC)c3)c2)cc1 2325734977 BGEDIXJZRLHKFR-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE Cc1cc(C(=O)C=Cc2cccc(OC(=O)C3(c4ccc5c(c4)OCO5)CC3)c2)ccc1F 2325742132 KJDVZBTUZHKHGL-UHFFFAOYSA-N 444.458 5.396 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)CC3CCCCC3)c2)cc1Cl 2325767187 QAYFMBAKLKCERR-UHFFFAOYSA-N 442.939 6.129 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)Cc3ccccc3Cl)c2)cc1C 2325770912 RKRAVXRKNYNYSM-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CCCC[C@]12CCN(C(=O)OC(C)(C)C)C2 2326264717 MTWNBSLXDUEDKO-FTJBHMTQSA-N 442.600 5.089 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1ccc(OC)cc1OC 2326418049 SHNKHCAGVGLRRQ-UHFFFAOYSA-N 438.597 5.429 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2cccnc2)cc1C 2329433872 FMQFDNASVDTKBA-UHFFFAOYSA-N 427.577 5.098 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3cccs3)n2N=Cc2cccn2C)c1 2329663571 BAVCNCXWQWCTCC-UHFFFAOYSA-N 435.622 5.255 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OC(=O)C(C)(C)C 2330636314 VQPMYCSISBDNDQ-UHFFFAOYSA-N 431.872 5.495 30 10 IKEE CC(C)COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3F)cc2)cc1 2331084466 HHOYOPNFNNFSBF-UHFFFAOYSA-N 436.454 6.115 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)c1ccccc1 2331115935 PUFJHZNPOHJYCQ-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OC(=O)Cc1ccc(Cl)cc1 2331158105 RAUOTZVXJIFQJJ-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3)c([N+](=O)[O-])c2)c(C)c1 2331225247 BKJFQJKPTGLAOD-UHFFFAOYSA-N 429.472 5.646 30 10 IKEE COCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1c(Cl)cccc1Cl 2331240001 FCESBBSHWMCAAP-UHFFFAOYSA-N 435.380 5.257 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1ccc(C=CC(=O)c2ccc(C)cc2)cc1Cl 2331260235 QPRQNCOHRFBSGQ-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3c(C)cccc3C)c(Cl)c2)cc1 2331265831 FWVFGJUOYJTHFC-UHFFFAOYSA-N 434.919 6.146 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)C1CCCC1 2331341497 FQYDHWFFNRUFFH-UHFFFAOYSA-N 430.903 6.178 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)Cc1ccccc1 2331489056 USUUPCCNYOJQIP-UHFFFAOYSA-N 448.946 6.516 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc([N+](=O)[O-])c1OC(=O)CC(C)(C)C 2331563853 MKYPDZMSPWJYOK-UHFFFAOYSA-N 447.434 5.509 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@H](O)C#Cc2cccc(Br)c2)c(Cl)c1 2335920062 CBTHSVXWHNEXRD-GOSISDBHSA-N 436.733 5.535 30 10 IKEE CCc1ccccc1NC(=S)N/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 3041312 JZRRLBWKXMJYFX-QYQHSDTDSA-N 448.979 5.140 30 10 IKEE Cc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NCc2ccc(C#CC(C)(C)O)cc2)cc1 12701826 HFSGYELFMPYKRW-RUZDIDTESA-N 427.592 5.106 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c[nH]c3ccccc13)N2 14544842 WHZBANUYPOABQG-BNIKKZEQSA-N 445.588 5.357 30 10 IKEE CCOc1cc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)ccc1OC(C)C 20881775 XCVQUDZOKCBDNE-NHCUHLMSSA-N 433.548 5.185 30 10 IKEE CC(=O)c1ccc(NC(=S)C2=C(NC3Cc4ccccc4C3)CC(C)(C)CC2=O)cc1 21344802 SSUOZBOESIPARQ-UHFFFAOYSA-N 432.589 5.029 30 10 IKEE COc1ccccc1-n1c(SCc2ccc(C#N)cc2)nc2cc(Cl)ccc2c1=O 23223478 YIWVTMFDNWJTIF-UHFFFAOYSA-N 433.920 5.212 30 10 IKEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 28244452 BHXBIRDIPDDUOD-UHFFFAOYSA-N 441.984 5.056 30 10 IKEE Cc1csc(/N=C2/S/C(=C\c3ccc4c(c3)OCO4)C(=O)N2C2CCCCC2)n1 39865640 AROXGNFJPAURIG-XQGMVTDFSA-N 427.551 5.117 30 10 IKEE COc1cc(/C=C2\Oc3c(ccc(OCc4ccccc4C)c3C)C2=O)cc(OC)c1OC 41432974 XVOAZHNVMKNUSS-UUYOSTAYSA-N 446.499 5.524 30 10 IKEE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)Nc1ccc(C(C)(C)C)cc1 59263792 VAEUHWCQGBRMDQ-UHFFFAOYSA-N 434.609 5.278 30 10 IKEE N#CCOc1ccc(Cl)cc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 59676254 PLTKNGSBWYQLAX-JFLMPSFJSA-N 449.963 6.186 30 10 IKEE C=CCCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(C)cc3C)sc2c1 59721132 CECIGECNDRUPEK-UHFFFAOYSA-N 425.579 5.549 30 10 IKEE CC(=O)c1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 102624460 BYABYNRGWUNXIM-VFJWVMJUSA-N 431.875 5.169 30 10 IKEE C=CCN(CC=C)C(=N\c1ccc(C)cc1)/C(=N/c1ccc(C)cc1)N(CC=C)CC=C 103710452 RYJWQZSRIARQDD-ZUELCTOOSA-N 426.608 6.412 30 10 IKEE CCCN1C(=S)N[C@@H](c2ccccc2OCc2ccc(Cl)cc2)C(C(C)=O)=C1C 169930175 OUNGDIRTWADKOO-QFIPXVFZSA-N 428.985 5.423 30 10 IKEE CCN1C(=S)N[C@@H](c2ccccc2OCc2ccccc2)C(C(=O)c2ccccc2)=C1C 169931912 FJYMUWJYFVZGHA-VWLOTQADSA-N 442.584 5.674 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2cccc(OC)c2)c1 169932707 NVQHWKKSYSYDEW-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCCCOc1ccc(/C=N\Nc2nc(-c3ccc(Cl)cc3)cs2)cc1OCC 169942665 FPIFXCRIKPZGHL-OYKKKHCWSA-N 429.973 6.487 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2cccs2)cc1 169983074 JKLKYEZWXLTSSA-JOCHJYFZSA-N 433.529 5.663 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccs2)cc1Cl 169986627 WTUODUPTNBQJSK-LJQANCHMSA-N 444.339 6.146 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1 170067225 PGNMVZDPYMIJNK-VWLOTQADSA-N 429.516 5.501 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccccc2C)cc1 170088751 CITYHSXOQJAYEO-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2cccs2)cc1 170156913 FNSDOWIMVKODFC-XMMPIXPASA-N 443.568 5.972 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccccn1 170168140 JZTBPVOHBBNHDH-JOCHJYFZSA-N 446.572 5.528 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1cccnc1 170184963 IMRCQGSWEMBKJS-QHCPKHFHSA-N 444.506 5.610 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@H]1c1ccccc1 170225118 QJROZFVKVSZILL-DEOSSOPVSA-N 441.527 5.712 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccccc2)cc1 170226881 XUOLHNDUGKYLGP-QFIPXVFZSA-N 433.891 5.522 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(C(C)C)cc1 170245220 XGFITGGNLXBKNV-RUZDIDTESA-N 431.576 6.067 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1c[nH]c2ccccc12 170255963 QJNFVGUTAHRIEZ-XMMPIXPASA-N 446.547 5.724 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccc2C)cc1OC 170273070 PMNMWZYLRPQHPB-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@H]1c1ccccc1C 170277286 PPIAOPMUTMIXOL-JOCHJYFZSA-N 441.955 5.816 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(Cl)c3)[C@@H]2c2ccco2)c1 170278767 SSFYALOARLJNFU-IBGZPJMESA-N 444.270 5.378 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccco2)c1C 170286009 IOIYUPWMAMMQTM-HSZRJFAPSA-N 431.488 5.467 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccco2)cc1C(C)(C)C 170293131 IKUGZXKHMVPNGV-JOCHJYFZSA-N 437.536 5.497 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(Cl)cc2)c1 170374588 KXNQRSBSWUWIKG-QHCPKHFHSA-N 447.918 5.830 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(Cl)cc(Cl)c2)[C@H]1c1ccc(F)cc1)c1cccs1 170376985 NFXHWKRUBYWEMG-SFHVURJKSA-N 448.302 5.977 30 10 IKEE CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@H]1c1ccc(C(C)(C)C)cc1 170467903 VSLQQQCLAGLOML-FQEVSTJZSA-N 429.919 5.902 30 10 IKEE Cc1ccc(-c2nc3cc(N=Cc4cc([N+](=O)[O-])cc([N+](=O)[O-])c4O)ccc3o2)c(C)c1 252627100 RMFGNKVKJRYHBB-UHFFFAOYSA-N 432.392 5.384 30 10 IKEE CCOc1ccc(N=C2S/C(=C/c3cc(OC)c(OC)cc3Cl)C(=O)N2CC)cc1 252635896 XBISUPUJBROKNQ-NYUHAYNDSA-N 446.956 5.380 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(C(C)C)cc2)cc1 526514739 GGVVLSLKMRIFCA-AREMUKBSSA-N 438.527 6.138 30 10 IKEE N#Cc1cccc(NC2=C(Sc3ccccc3)C(=O)N(c3ccccc3Cl)C2=O)c1 526659728 XIBVDTMCVDONHQ-UHFFFAOYSA-N 431.904 5.201 30 10 IKEE CCCCOc1ccc(/C=N\n2c(CC)nnc2SCc2cccc3ccccc23)cc1 526821466 UKNBIZBBLPARTF-IMRQLAEWSA-N 444.604 6.347 30 10 IKEE COc1cc(C)c(C)cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)c1ccc(C)cc1F 586214152 SOASIIBDCPKSGZ-UHFFFAOYSA-N 438.524 5.027 30 10 IKEE C=CCN(CC=C)C(=O)c1cccc(NC(=O)Nc2ccc(C)cc2Br)c1 586722693 GYVXMGXVPZZIJE-UHFFFAOYSA-N 428.330 5.216 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@@H]1[C@@H]1CCCCN1C(=O)OC(C)(C)C 698408362 QGZOPPDBXPFTTJ-ZDQHKECQSA-N 449.636 5.874 30 10 IKEE CC1(C)CC(C)(C)CC(C#N)(N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)C1 698483416 VPRORJFSTHBCHW-UHFFFAOYSA-N 435.406 6.689 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@@H](C#N)c1cc(Cl)ccc1Br 698831803 OJGCQESUVCRMBN-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C#N)(N(Cc1cccs1)C(=O)OC(C)(C)C)C2 709439305 QYHSHMLEMFWICJ-IRXDYDNUSA-N 447.601 5.309 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1 724068026 CDFUZXBXEWBFGY-XDHUDOTRSA-N 445.560 5.024 30 10 IKEE CCCC=NNc1nc(SCC(=O)Nc2ccccc2SCc2ccccc2)n[nH]1 1084362671 TXEMOLYOQFXCGU-UHFFFAOYSA-N 440.598 5.026 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)SC1=Nc1nnc(C)s1 1772738216 NOLFXQXHTDVPIV-GNYMFXGWSA-N 442.953 5.550 30 10 IKEE CCCCn1c2ccccc2c2nnc(NN=Cc3ccc(OCC)c(OCC)c3)nc21 1772764901 ILZDZEVILCEDJB-UHFFFAOYSA-N 432.528 5.023 30 10 IKEE Cc1cc2c(s1)Nc1ccccc1NC2=NC1=c2cc(C)sc2=Nc2ccccc2N1 1848441559 AKGLVVZCORIVMU-UHFFFAOYSA-N 441.585 5.485 30 10 IKEE CCCCCCCCCCCCCCCCc1nc(-c2ccc3ccccc3c2)nc(=N)[nH]1 1857523061 XKTBIDGGCQMUCU-UHFFFAOYSA-N 446.683 8.128 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccccc2C)cc1 1862389577 IYTXQKQKLXYQIJ-SANMLTNESA-N 445.603 6.639 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1c(Cl)cccc1Cl 1862405373 BXEYJTZZBPVVPX-RNODOKPDSA-N 448.346 5.687 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@H]2c2cccc(C)c2)cc1OCCC 1862426605 YKIJKLRMRHNZNC-QHCPKHFHSA-N 437.536 5.171 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(F)cc1F 1862476964 GYVABBGHDPHUNP-AUSIDOKSSA-N 441.518 6.210 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(Cl)cc2)ccc1F 1862503400 WVHPANBILYYOEJ-HSZRJFAPSA-N 449.909 5.609 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc(C(C)C)cc2)ccc1F 1862503564 AAZQKTNHXZXTCT-WQWSHVPRSA-N 449.566 6.415 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@H]2c2ccccc2F)cc1 1862529647 ISWPOUGSOGBQIL-QHCPKHFHSA-N 449.909 5.820 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc(O)c(OC)c2)cc1 1862530984 CMPSXVUWBKSGEI-GANZUKCXSA-N 449.547 5.120 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2cccc(OC)c2)cc1 1862535524 DXZLKJSESJXBMN-RUZDIDTESA-N 441.527 5.345 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862598246 PNLYLWXERRQWQV-IBGZPJMESA-N 434.319 5.468 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1 1862685336 UIOIEBWXRMBJLW-DEOSSOPVSA-N 443.474 5.145 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)c1 1862706342 UJCOPKWYBOJYRW-IBGZPJMESA-N 434.319 5.236 30 10 IKEE N#Cc1ccccc1NC1=C(c2cccs2)C(=O)N(c2cc(Cl)cc(Cl)c2)C1=O 1863102415 JSRJIZNBMAIRBB-UHFFFAOYSA-N 440.311 5.323 30 10 IKEE CCCCc1ccc(NC2=C(c3cccs3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1863110657 ZFUCUPQQPICGGP-UHFFFAOYSA-N 427.529 5.359 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](CCC)NC(=O)[C@H](CC(C)C)c1cccc(Br)c1 1869012889 FWVXBPDCUOXIDI-NHCUHLMSSA-N 449.433 5.064 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N2C[C@@H](C)C[C@H](C)C2)nn1-c1ccccc1Cl 1870018543 CQHSNGPIBDGHFB-OALUTQOASA-N 446.039 6.092 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)Nc2ccccc2C(C)C)c(=O)cc1C 1870086769 PPYAVDOMXALIQX-UHFFFAOYSA-N 440.628 6.438 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCCCCC)cn1CCc1ccc(OC)cc1 1870672198 NCOKJWZBAKDYPG-UHFFFAOYSA-N 438.612 5.233 30 10 IKEE C=CCOc1cn(CCCCc2ccccc2)c(CNc2cc(Cl)ccc2C)cc1=O 1870811770 HWNYPQALHNCKTP-UHFFFAOYSA-N 436.983 6.010 30 10 IKEE CCCCCCCOc1cn(CCCCC)c(CNc2cccc(C(C)(C)C)c2)cc1=O 1870837780 YAVPYSMXTJHECE-UHFFFAOYSA-N 440.672 7.297 30 10 IKEE C#CCOc1cn(CCc2ccc(C)cc2)c(CNc2ccc(CCCC)cc2)cc1=O 1871004496 ICALHQHUXXSSHL-UHFFFAOYSA-N 428.576 5.366 30 10 IKEE CCCCCCCCn1cc(OCCCCC)c(=O)cc1CNc1ccc(CC)cc1 1871130530 VNNUVEIGIJXKRY-UHFFFAOYSA-N 426.645 6.952 30 10 IKEE C=CCn1cc(OCCCCOc2cccc(C)c2)c(=O)cc1CNc1cccc(OC)c1 1871221207 RVVYJPZWFGXREU-UHFFFAOYSA-N 448.563 5.201 30 10 IKEE CCCCCCN1COc2ccc3c(c2C1)O/C(=C\c1cn(C)c2ccc(OC)cc12)C3=O 1871351938 IHYBOSUEQLOVJA-MXAYSNPKSA-N 446.547 5.535 30 10 IKEE CCCCN1COc2c(cc3c(c2C)O/C(=C\c2cn(CC)c4ccc(OC)cc24)C3=O)C1 1871352456 KCHHTVCXOQOTFT-MSXFZWOLSA-N 446.547 5.546 30 10 IKEE CCCCC[C@@H](CC)N1COc2c(cc3c(c2C)O/C(=C\c2ccc(OCC)cc2)C3=O)C1 1871353317 LJJNIHAFEIFXJE-OOEUXUOGSA-N 449.591 6.521 30 10 IKEE COc1ccc([C@@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2ccc(C)o2)C4=O)cc1OC 1871353907 AYWAABUKURNXCF-VJLQILQTSA-N 447.487 5.135 30 10 IKEE COc1ccc([C@@H](C)N2COc3cc(C)c4c(c3C2)O/C(=C\c2cccc(C)c2)C4=O)cc1 1871353944 BUFUOMBQNIBRAH-LPANUZLBSA-N 441.527 5.841 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(Cl)c(Cl)c4)cc(C)c3C2=O)cc1 1871372496 VJVZLJZJHDFRPV-FBHDLOMBSA-N 439.294 6.446 30 10 IKEE Cc1c(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc2c1O/C(=C\c1cccs1)C2=O 1871373301 XWOWQKJEXPACTH-ZDLGFXPLSA-N 441.848 5.454 30 10 IKEE Cn1cc(/C=C2\Oc3cc(OC(=O)c4c(F)cccc4Cl)ccc3C2=O)c2ccccc21 1871375238 AKUVLGVBTPYNLT-JJFYIABZSA-N 447.849 5.806 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc3c(c2C)O/C(=C\C=C\c2ccccc2)C3=O)CC1 1871383875 XHVSBFCRINBFQE-XMQQDVPZSA-N 444.571 7.069 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OCCCCOc3ccccc3)cc(C)c2C1=O 1871403627 QFGMATPUVOXWDJ-UQQQWYQISA-N 430.500 5.858 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OCCCOc3ccc(Cl)cc3)cc(C)c2C1=O 1871407026 WJHCBRKLUDHAOH-IWIPYMOSSA-N 434.919 6.421 30 10 IKEE Cc1c(OCC(=O)N[C@@H](C)c2ccccc2)ccc2c1O/C(=C\c1ccccc1Cl)C2=O 1871424471 KNJHEWBZSCKMAE-PGECNJAHSA-N 447.918 5.521 30 10 IKEE CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccccc2)C3=O)c1 1871426763 YANKXPLSBHDKTN-YNJLWJOVSA-N 441.483 5.220 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(OC)cc2C)[nH]c(N(CCC)CCC)n1 1871691753 DCZPBUNSVRMKDX-UHFFFAOYSA-N 442.652 5.753 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(C)c(Cl)c1)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1871808874 NVUXJPGOMXMJFM-VGOFRKELSA-N 449.016 5.187 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(C)c(C)c1)[C@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1871912490 WKFPVDWBMIWHAI-OSPHWJPCSA-N 442.625 5.150 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1cccs1 1872443330 BHVZGRUOWYSIKK-NRFANRHFSA-N 448.654 5.492 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccc(Cl)cc3)n2)cc1 1872770190 MSVROXBLFYBVCC-QRWLVFNGSA-N 440.952 5.896 30 10 IKEE CC(C)c1nnc(SCc2ccccc2F)n1/N=C/c1c[nH]c2cc(Cl)ccc12 1873505099 AUILSRUUEGTGOO-OPEKNORGSA-N 427.936 5.850 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(OC)cc2)cc2c(NCc3ccccc3Cl)ncnc21 1873605796 SRDNALWECITZBD-UHFFFAOYSA-N 447.926 5.144 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)cc2)cc2c(N(CCCC)CCCC)ncnc21 1873662233 HKYUXDQFUHJWFS-UHFFFAOYSA-N 439.991 5.930 30 10 IKEE C=CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1ccccc1F 1874203160 NGCYTZGJSGTZHY-CVKSISIWSA-N 438.572 5.762 30 10 IKEE CCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc(Br)cc1 1874276587 UHZZUVBFTZDRET-LPYMAVHISA-N 449.805 5.473 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1ccc(O)c(OCC)c1 1874287594 NERJZNKHWBVARY-KOEQRZSOSA-N 442.629 6.007 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccccc3)n2/N=C/c2ccccc2C)CC1 1874287929 FFDYNFGBFSWORQ-TURZUDJPSA-N 446.664 7.225 30 10 IKEE C=C(C)CSc1nnc(COc2c(C)cccc2C)n1/N=C/c1c(F)cccc1Cl 1874300818 UTNZEOLRFGEZJJ-OPEKNORGSA-N 444.963 5.817 30 10 IKEE CCCSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1cccc2ccccc12 1874321542 XKQXITXVBCGSDF-WGOQTCKBSA-N 430.577 6.011 30 10 IKEE Clc1ccc(CSc2nnc(COCc3ccccc3)n2/N=C/c2ccccn2)cc1 1874354417 IVABHKLOHWEVCS-VULFUBBASA-N 449.967 5.218 30 10 IKEE C=CCSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874359372 DKMDUFRSELMXJX-ZMOGYAJESA-N 442.972 5.014 30 10 IKEE Clc1ccccc1CSc1nnc(-c2ccccc2Cl)n1/N=C/c1cccs1 1874365441 BYBLALFYJHSABL-FSJBWODESA-N 445.400 6.488 30 10 IKEE Cc1ccsc1/C=N/n1c(Cc2ccccc2F)nnc1SCc1cccc(F)c1 1874374606 FEFDYCVTMNGIOM-DHRITJCHSA-N 440.544 5.692 30 10 IKEE Oc1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCc2ccc(F)cc2)cc1 1874378224 JKNHFNITDAVHIS-VULFUBBASA-N 436.487 5.027 30 10 IKEE C=C(C)CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1ccc(OCC)c(OC)c1 1874395199 GRYWWDFCERBESI-BIKZULFDSA-N 436.581 5.388 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2ccncc2)c(Cl)c1 1874430577 PEOXDWAMIOKLAM-DHRITJCHSA-N 440.359 5.821 30 10 IKEE Clc1cccc(Cl)c1/C=N/n1c(SCc2ccccc2)nnc1[C@@H]1CCCO1 1874446112 SWVKQMZMTBWRCF-KCDOPAPYSA-N 433.364 5.611 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CCCC2)cc1 1874456573 XRSQVYLTVZCYEF-MFKUBSTISA-N 425.001 6.326 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C(F)(F)F)cc1 1874461585 VDOKFDFJIIZORU-AUEPDCJTSA-N 426.851 5.133 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(CCC)nnc2SCc2ccccc2C)cc1 1874504795 AGVUDJMCDCFCON-NLRVBDNBSA-N 436.625 6.283 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1cccc(OC)c1 1874508595 LZQBRGOTTROAHE-FSJBWODESA-N 435.380 5.721 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1cccc(Br)c1 1874510036 CMGTZZAINIOIOD-YDZHTSKRSA-N 443.414 5.784 30 10 IKEE CC(C)(C)Cc1nnc(S)n1/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 1874560060 DYTQDYGOBYKSAD-WYMPLXKRSA-N 449.407 5.923 30 10 IKEE O=C(COc1ccc2ccccc2c1/C=C/C(=O)c1ccccc1Cl)NC1CCCCC1 1874574938 MOTCPNWSFVADBC-FOCLMDBBSA-N 447.962 6.217 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)NCc2ccccc2)c1 1874580284 GTNGPNQEMCKZHG-ZRDIBKRKSA-N 433.935 5.548 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(F)c(C)c2)c1OCC(=O)Nc1cc(C)cc(C)c1 1874581248 DHYOWTAQMVAXOD-PKNBQFBNSA-N 447.506 5.673 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(F)cc2)cc1 1874583796 GWLIFBFQCNYNIF-NTUHNPAUSA-N 437.898 5.955 30 10 IKEE C=C(C)COc1c(/C=C/C(=O)c2cc(OCC)ccc2OCC)cc(Cl)cc1OC 1874587393 KNGOOGDBRHUYNI-CSKARUKUSA-N 430.928 5.997 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2OC)cc1 1874614605 URZLXFLEIGEHGD-MKMNVTDBSA-N 449.934 5.825 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OCCc3ccccc3)c(Br)c2)c(C)c1 1874634312 WBKUVIVNGATLRG-PKNBQFBNSA-N 449.388 6.892 30 10 IKEE COc1ccccc1CC(=O)Oc1cccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1 1874695856 VSQDWHUNKBOUEP-FMIVXFBMSA-N 441.310 6.046 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)COc3ccc(C)cc3C)c2)cc1 1874696835 NTUWYFRHWRVHHN-WUXMJOGZSA-N 446.499 5.201 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)COc3ccc(C)c(C)c3)c2)cc1 1874697085 SWROWSRSHDCREA-AWNIVKPZSA-N 446.499 5.201 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C)c(C)c3)c2)c1 1874713544 BXEYHFYMUNRKHL-FMIVXFBMSA-N 430.500 5.365 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(F)c(F)c2)CSc2nnc(CCC)n21 1874862294 NNPHKWAVZRQUIH-IBGZPJMESA-N 436.572 5.571 30 10 IKEE C[C@H](C(=O)Oc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1Cl)c1ccccc1 1875096464 PFJOVEQEOIBORG-LSSBLYJVSA-N 440.926 7.098 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(CCCC)cc2)cc(OC)c1OC(=O)C1CCC1 1875107897 OKNFMHMDCZCMSD-SAPNQHFASA-N 432.560 6.368 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OC(=O)CC1CCCCC1 1875112164 UVJOCSOSFBBBAY-WYMLVPIESA-N 426.940 6.511 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3)c([N+](=O)[O-])c2)cc1 1875130340 OWVRYZXCDRSWSG-RIYZIHGNSA-N 431.444 5.038 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc(C)cc(C)c3)c(OC)c2)cc1 1875130995 CBIKTAKQUUSIDP-WUXMJOGZSA-N 430.500 5.826 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1C 1875133771 BGZRQOLPNBXNIX-KPKJPENVSA-N 439.338 6.654 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)[C@@H](C)c1ccccc1 1875141013 JANCHHRBXLXABD-HGZMWJMZSA-N 448.490 5.757 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)c1ccc(C)c(C)c1 1875141261 VJIBLOYMKXBQQT-YRNVUSSQSA-N 448.490 5.883 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(Cl)c1OC(=O)C(F)(F)F 1875155002 HUXMMHAJFSNXNY-ZHACJKMWSA-N 448.824 6.256 30 10 IKEE C#CCC[C@@H](NCCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875661268 NIDPKOQCHDLDIV-GGXMVOPNSA-N 443.587 5.660 30 10 IKEE O=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1C(F)(F)F 1889570965 NXWAHPBQUBAMGQ-CQSZACIVSA-N 445.281 5.206 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](Cc2ccc(Cl)c(Br)c2)NCC)C1 1892684710 PYRSLHLMZYLFAI-QGZVFWFLSA-N 443.813 5.237 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@]1(C#N)CCN(Cc2ccccc2)CC12CCC2 1934056211 BXFLVOJJLCJHAP-MUUNZHRXSA-N 445.607 5.762 30 10 IKEE C[C@@H]1CC[C@](C#N)(N(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)[C@@H](OCc2ccccc2)C1 1998816894 CCTLRVLLZCMJSJ-TVPUMLRDSA-N 428.573 5.070 30 10 IKEE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)c2ccc(C(F)(F)F)c(C#N)c2)C1 2006275905 CFPGJWYNJCDPGS-UHFFFAOYSA-N 431.458 5.203 30 10 IKEE C=C(COCc1ccccc1)[C@H](NC)[C@@H]1C[C@H]2CCCC[C@H]2N(C(=O)OC(C)(C)C)C1 2009421408 VFRPBPIACYIKOD-YCAMKHIRSA-N 428.617 5.163 30 10 IKEE C=CCCCC[C@H](NCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2009484926 QOTSXCXJTIEHMT-QHCPKHFHSA-N 429.649 5.270 30 10 IKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)C2(CCCC2)C1 2018644362 BSZPEERNGCNWDZ-KOSHJBKYSA-N 435.609 5.628 30 10 IKEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2032562869 XTIAFAXYCYWYKZ-MZNJEOGPSA-N 447.551 5.497 30 10 IKEE Cc1cc(C=C(C(=O)c2ccccc2)c2nc3ccccc3s2)c(C)n1-c1ccccc1 2040464995 QXLIVKPDAHNTSA-UHFFFAOYSA-N 434.564 7.127 30 10 IKEE Cc1ccc(NC(=S)NN=CC2=C(N3CCOCC3)C(=Cc3ccccc3)CC2)c(C)c1 2040469807 ODHIEOXAGCAVSC-UHFFFAOYSA-N 446.620 5.039 30 10 IKEE CCCc1ccc([C@@H](C2CCC2)n2nc(C(F)(F)F)c(C=NO)c2Br)cc1 2079908192 PSNVWOBGYQTGAB-MRXNPFEDSA-N 444.295 5.815 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@H](C#N)c1cc(Cl)cc(Br)c1 2088227724 MKIYZFMBMQGEPW-SFHVURJKSA-N 441.797 6.627 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@@]1(C#N)CN(Cc2ccccc2)C2(CCCCC2)C1 2100076612 XRRNLYQMALQKAG-NDEPHWFRSA-N 445.607 6.299 30 10 IKEE CC(C)(C)CN(Cc1ccccc1)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(F)(F)F 2116147129 ZCTQOSPCOOVVED-UHFFFAOYSA-N 447.350 6.057 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2cc(Br)cc(F)c2C#N)C12CCCC2 2163691298 FOSHDSDSLYVMPB-QGZVFWFLSA-N 438.341 5.194 30 10 IKEE CC(C)(C)OC(=O)NCC[C@@H]1CCC[C@H](Nc2cc(Br)cc(F)c2C#N)C1 2163701507 ZAQKCXOTWACLCG-ZFWWWQNUSA-N 440.357 5.345 30 10 IKEE CC1(C)OB(c2csc(CN(Cc3ccccc3)Cc3cccs3)c2)OC1(C)C 2211077525 FEELNORFZDXTFU-UHFFFAOYSA-N 425.428 5.311 30 10 IKEE C=C(Cl)C[C@@H](NCCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229125222 CHJXAFRNYKTANO-MSOLQXFVSA-N 445.829 5.396 30 10 IKEE C=CCCCCC[C@H](N)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229135460 SQWHFEDYHGRAAA-OALUTQOASA-N 425.411 5.349 30 10 IKEE Cc1ccc(C#C[C@H](N)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1 2231150036 VPUFJJSNMPXDEE-NDEPHWFRSA-N 433.551 6.205 30 10 IKEE CC(C)[C@@H](CCNC(=O)OC(C)(C)C)CC[C@H](N)C#Cc1ccccc1Br 2235746946 MBJQMMMMXLYCSM-MJGOQNOKSA-N 437.422 5.095 30 10 IKEE CCCN[C@H](C#CC1CCCC1)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2251412693 ZKDMIRZQBQTNFD-ZTCOLXNVSA-N 428.617 5.047 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)CC2CCCC2)s1 2255601366 YDJJPVZDGPZPJN-UHFFFAOYSA-N 439.430 5.188 30 10 IKEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)C1CCCCC1 2255611571 VGLDDTGILANCFR-UHFFFAOYSA-N 439.430 5.331 30 10 IKEE C#CCN(C[C@@H](NCCC)c1cccc(Cl)c1Br)C(=O)OC(C)(C)C 2259396553 IDVQYRZIFOTTKY-MRXNPFEDSA-N 429.786 5.014 30 10 IKEE C=CC[C@]1(COc2cc(Br)c(Cl)cc2N)CCN(C(=O)OC(C)(C)C)C1 2272234923 VJNZARPYSWOICQ-IBGZPJMESA-N 445.785 5.267 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)c1ccc(Br)cc1Cl 2275134392 JINXAFJNGXAQLV-FQEVSTJZSA-N 439.733 5.408 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)C[C@@H](C)C(C)(C)NC(=O)OC(C)(C)C 2286776144 MGBYNFFSJPGREU-AEFFLSMTSA-N 437.422 5.108 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)CCN(C(=O)OC(C)(C)C)C(C)(C)C 2296308832 NGOCQDJJRBAVMH-IBGZPJMESA-N 437.422 5.204 30 10 IKEE O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1cccc(Cl)c1 2314477805 NAULTLAEKGRIJC-XMMPIXPASA-N 429.903 5.518 30 10 IKEE CCOc1ccc(C=Nn2c(C)nnc2SCc2cccc3ccccc23)cc1OCC 2318572006 YDDGCBUMGTXZFL-UHFFFAOYSA-N 446.576 5.712 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2318881378 XJQXFYAEGNSQDK-VAMGGRTRSA-N 447.551 5.543 30 10 IKEE CCn1cc(C=C2Oc3c(ccc4c3CN(CCC(C)C)CO4)C2=O)c2cc(OC)ccc21 2322236347 QVVRBEKWGAVETM-UHFFFAOYSA-N 446.547 5.484 30 10 IKEE COc1ccc(C=C2Oc3c(ccc4c3CN(C35CC6CC(CC(C6)C3)C5)CO4)C2=O)cc1 2322238534 SLJNMWXFHHDBCQ-UHFFFAOYSA-N 443.543 5.432 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Br)ccc2OCc2cccc(Cl)c2)cc1 2322586212 IHFDNSAJRZMLLJ-UHFFFAOYSA-N 441.752 6.886 30 10 IKEE COc1cccc(C=CC(=O)c2c(C)cc(C)cc2C)c1OCC(=O)Nc1ccccc1 2322952965 QWTJACNLTGBCAQ-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE Cc1ccccc1COc1ccc2ccccc2c1C=CC(=O)c1cc(Cl)ccc1Cl 2322999627 FJYQLWNXDANRSC-UHFFFAOYSA-N 447.361 7.930 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1OCc1ccc(Cl)c(Cl)c1 2323118351 GNYOSOQTKGOBCM-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OCc1cccc2ccccc12 2323168603 MAEVQESDKIUFAL-UHFFFAOYSA-N 426.487 6.771 30 10 IKEE O=C(COc1cccc(C=CC(=O)c2cc(Cl)ccc2Cl)c1)Nc1ccccc1 2323328014 QOWTWJAKGIMEQX-UHFFFAOYSA-N 426.299 5.907 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc(C=CC(=O)c3ccc4c(c3)CCCC4)cc2)c1 2323419755 VWBYYTCFLRVUGT-UHFFFAOYSA-N 439.555 6.096 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)c(Cl)c2)cc1 2323464740 CMNIQAMVHDGRLL-LJQANCHMSA-N 447.962 6.055 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCC(=O)OCC(C)C)c(Br)c2)cc1 2323465001 UGURJYQAKOMXQR-UHFFFAOYSA-N 445.353 5.486 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OCc3cccc(Cl)c3)c(OC)c2)cc1 2323627302 KBUQMBIEABDEPL-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OCc1ccccc1Cl 2324169898 OAFKIILCPKAWSU-UHFFFAOYSA-N 434.963 7.337 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc(OC)c1OCc1ccccc1 2324364068 QMBZFHWZBFGSAC-UHFFFAOYSA-N 432.516 5.804 30 10 IKEE Cc1c(O[C@@H](C)C(=O)Nc2ccccc2)ccc2c1OC(=Cc1ccc(C(C)C)cc1)C2=O 2324405709 OBLOLHRVUQMTDP-IBGZPJMESA-N 441.527 6.141 30 10 IKEE COc1ccccc1C=C1Oc2cc(O[C@H](C)C(=O)Nc3ccc(C)cc3C)ccc2C1=O 2324494096 PKSLQISBWRUXPX-GOSISDBHSA-N 443.499 5.334 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OCc2ccccc2F)c(Cl)c1 2324696961 YCHHGKDAPPNHFJ-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@H](C#N)C(=O)C=Cc2cccc([N+](=O)[O-])c2)n1 2324847658 RFVGAHVARUGGKU-QGZVFWFLSA-N 439.880 5.270 30 10 IKEE Cc1c(OCc2ccccc2C#N)ccc2c1OC(=Cc1ccccc1Br)C2=O 2325357780 NONNKTYMBUOCGC-UHFFFAOYSA-N 446.300 5.824 30 10 IKEE Cc1ccc(CCOc2cc(C)c3c(c2)OC(=Cc2c(Cl)cccc2Cl)C3=O)cc1 2325372765 YXRBRKVNQRDIAU-UHFFFAOYSA-N 439.338 6.848 30 10 IKEE O=C(C=Cc1ccccc1C(F)(F)F)C(=O)Nc1ccc(OCc2ccccc2)cc1 2325572017 YSFQFCDTSWTXQW-UHFFFAOYSA-N 425.406 5.505 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc(C(F)(F)F)cc1 2325642548 GXHNJZMTWKZMPZ-UHFFFAOYSA-N 445.297 6.087 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)CC3CCCCC3)c2)cc1OC 2325702422 VTFYJHRMXQWSAB-UHFFFAOYSA-N 438.520 5.484 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccc(F)cc3F)c2)cc1 2325718112 AUDGMTOOQWXUPJ-UHFFFAOYSA-N 438.426 5.026 30 10 IKEE COc1ccc(C(=O)Oc2cccc(C=CC(=O)c3cccc(Cl)c3)c2)cc1[N+](=O)[O-] 2325728882 WFLKQZPXNDGFGR-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE Cc1cc(C)c(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2cccc(F)c2)C3=O)c(C)c1 2325736852 XVOJHGNNRYIVKT-UHFFFAOYSA-N 445.490 5.693 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1OC(=O)c1ccc(F)cc1F 2325753337 MYGNJJNYAIMCMA-UHFFFAOYSA-N 430.353 5.367 30 10 IKEE COc1ccc(CCC(=O)Oc2cc(C=CC(=O)c3ccc(C)c(C)c3)ccc2OC)cc1 2325759985 NWMZJPZPFZTLLA-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)c2)cc1C 2325760633 LGKZHNGAYZWZNV-DNQXCXABSA-N 430.931 6.562 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC(=O)c2ccc(F)c(F)c2)c1 2325765853 XISRTSBXZVBGHS-UHFFFAOYSA-N 434.482 6.686 30 10 IKEE CC(C)Oc1ccc(C=Nn2cnnc2SCc2ccc(F)cc2)cc1Br 2326236622 ZRPNJRKHCPWVSW-UHFFFAOYSA-N 449.349 5.141 30 10 IKEE COc1ccccc1C=Nn1c(Cc2ccccc2)nnc1SCc1ccc(C)cc1C 2326460854 KHJXHGMUYUOMEO-UHFFFAOYSA-N 442.588 5.669 30 10 IKEE CCCOc1cc(C=Nn2c(CC)nnc2SCc2ccccc2Cl)ccc1OC 2326546517 WNQAAGURHFTEDB-UHFFFAOYSA-N 444.988 5.466 30 10 IKEE CCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1cccc(C(F)(F)F)c1 2326674325 RBJATHBFUCVKRJ-UHFFFAOYSA-N 429.471 5.296 30 10 IKEE Cc1ccccc1C=Nn1c(CCc2ccccc2)nnc1SCc1ccc(C#N)cc1 2326684291 ZLCMGGGFTMAQAC-UHFFFAOYSA-N 437.572 5.418 30 10 IKEE CCCSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1ccc(Cl)cc1 2327386091 MEETYTHHKYYKFV-UHFFFAOYSA-N 428.989 5.847 30 10 IKEE CSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2327702731 PCINWYGZMAYKNX-UHFFFAOYSA-N 437.912 5.188 30 10 IKEE Clc1ccc(CCc2nnc(SCCc3ccccc3)n2N=Cc2ccncc2)cc1 2328065662 ZKXJUTPLWFQJSA-UHFFFAOYSA-N 447.995 5.329 30 10 IKEE CCCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc(O)c(OCC)c1 2328075537 BNNMPHJHKUGZNN-UHFFFAOYSA-N 444.988 5.205 30 10 IKEE CCOc1ccc(Cc2nnc(SC)n2N=Cc2c(OC)ccc3ccccc23)cc1 2328562238 JGJJZRNGEVWGKL-UHFFFAOYSA-N 432.549 5.034 30 10 IKEE CCCOc1ccccc1C=Nn1c(Cc2ccc(OCC)cc2)nnc1SCCC 2328568767 RDDOFVWTEAQCKC-UHFFFAOYSA-N 438.597 5.441 30 10 IKEE CCOc1ccc(C=Nn2c(CCc3ccccc3C)nnc2SCC)cc1OCC 2329480943 DWFRGYRDNDEJOW-UHFFFAOYSA-N 438.597 5.163 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2Cl)n1N=Cc1c(Cl)cccc1Cl 2329573022 VOQMHILVUISGJT-UHFFFAOYSA-N 437.783 6.456 30 10 IKEE CCCOc1c(C=Nn2c(SCCC)nnc2-c2ccccc2Cl)cccc1OC 2329600352 YZKREJNEXMIFDB-UHFFFAOYSA-N 444.988 5.780 30 10 IKEE Cc1cccc(CSc2nnc([C@H](C)c3ccccc3)n2N=Cc2ccccc2C)c1 2330071083 DXNNQSQYKSIVRW-OAQYLSRUSA-N 426.589 6.221 30 10 IKEE CCCSc1nnc([C@H](C)c2ccccc2)n1N=Cc1c(OC)ccc2ccccc12 2330124111 CMCPGKCNRBXDED-GOSISDBHSA-N 430.577 5.976 30 10 IKEE Fc1cccc(C=Nn2c(Cc3cccs3)nnc2SCc2cccc(F)c2)c1 2330355515 NCQOGQUMOQBTEM-UHFFFAOYSA-N 426.517 5.383 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccccc2)n1N=Cc1ccccc1[N+](=O)[O-] 2330634972 JVKBAJJBGAMUTP-UHFFFAOYSA-N 429.505 5.336 30 10 IKEE Clc1cccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2-c2ccccc2)c1 2330694335 ZHLRIIJAOUBRFG-UHFFFAOYSA-N 439.371 6.426 30 10 IKEE Cc1ccc(CSc2nnc([C@H]3CCCO3)n2N=Cc2cccc3ccccc23)cc1 2330888983 IOBDKEOHSQVGFQ-HSZRJFAPSA-N 428.561 5.766 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)cc(Cl)c1OC(=O)c1ccco1 2331069434 VRBDSYRUZKXWJO-UHFFFAOYSA-N 426.852 5.456 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CCCC2)c1 2331093055 FHVIOSLZUKNPBA-UHFFFAOYSA-N 426.973 5.778 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(CC)cc1 2331132498 NJEUKKKPTXCNKF-UHFFFAOYSA-N 434.919 6.416 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc(C)cc(C)c3)c(OCC)c2)cc1 2331208303 NWBLPXCLNNSVRM-UHFFFAOYSA-N 444.527 6.216 30 10 IKEE CCCC(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1Br 2331242890 WMXGZTBCOKATLL-UHFFFAOYSA-N 442.136 6.358 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccccc1 2331246608 GCEHIEHKJJQMAI-UHFFFAOYSA-N 441.310 6.507 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)CCCOc3c(C)cccc3C)cc2)ccc1F 2331332750 IACSZMQTZKLUIG-UHFFFAOYSA-N 446.518 6.412 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(SCc2ccccc2C)nnc1C1CCC1 2331489974 PIUIJEPEAPNPIN-UHFFFAOYSA-N 442.588 6.190 30 10 IKEE Cn1cc(C=Nn2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C2CCC2)c2ccccc21 2331502891 HENLIMFRVZUOIQ-UHFFFAOYSA-N 446.536 5.120 30 10 IKEE Cc1nc2ccc(C(=O)Oc3ccc(C=CC(=O)c4ccc(F)c(F)c4)cc3)cc2nc1C 2331554844 CNYZPJLFMSBPED-UHFFFAOYSA-N 444.437 5.640 30 10 IKEE CCCc1nnc(SCc2ccccc2C)n1N=Cc1ccc(OC(C)C)c(OC)c1 2331633296 DXUYWMQOEFCDHK-UHFFFAOYSA-N 438.597 5.509 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C(C)C)c(OC)c1 2331706682 KTFAQBDQTPXQNW-UHFFFAOYSA-N 430.961 5.247 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)cc3)cc2)c(OCC)c1 2331731264 VUGSUPUKDGGPIX-UHFFFAOYSA-N 444.527 5.837 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)cc3)c([N+](=O)[O-])c2)c(C)c1 2331768948 PUOJDRBTMWHADF-UHFFFAOYSA-N 447.462 5.703 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)COc3c(C)cccc3C)cc2)cc1C 2331835409 GKNQCMFTYZSHQW-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE CC1(C)OB(c2ccc(Nc3cc(Cl)ccc3Br)c(C#N)c2)OC1(C)C 2364756959 BDXHWWVHPOCLIL-UHFFFAOYSA-N 433.542 5.017 30 10 IKEE O=C1/C(=C\C2=Cc3ccccc3OC2)Oc2cc(OCc3ccc(F)cc3Cl)ccc21 2358718 IOHCJJOILLWQBU-YSURURNPSA-N 434.850 5.993 30 10 IKEE Cc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NCc2ccc(C#CC(C)(C)O)cc2)cc1 12701820 HFSGYELFMPYKRW-VWLOTQADSA-N 427.592 5.106 30 10 IKEE CCc1ccc2oc(-c3cc(/N=C\c4cc(Cl)cc([N+](=O)[O-])c4O)ccc3O)nc2c1 16162197 KLLOLVLNKIRTGJ-MYKKPKGFSA-N 437.839 5.781 30 10 IKEE C/C(=N\Nc1nc(SCCC(=O)Nc2cccc3ccccc23)n[nH]1)c1ccc(F)cc1 21082090 VSJBHHHXPPJOJT-JFLMPSFJSA-N 448.527 5.054 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2O[C@@H](C)CC)cc1 21220167 CCYOCMCYRGDXNQ-JXHRLWIKSA-N 447.575 5.657 30 10 IKEE COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccccc2C)cc1OC 28052533 VHXXFYJDKOXMIE-OSPHWJPCSA-N 430.504 5.267 30 10 IKEE COc1cccc(NC(=O)[C@@]23CC[C@@](C)(/C(=N\OC(=O)c4ccc(C)cc4)C2)C3(C)C)c1 33960387 ZSYVFZDYKOJYJX-WWKOQGKZSA-N 434.536 5.372 30 10 IKEE CCOc1ccc2oc(C)c(C(=O)Oc3cccc(/C=C/C(=O)c4ccccc4)c3)c2c1 34954047 GHLJAWRVZIJUEM-WYMLVPIESA-N 426.468 6.255 30 10 IKEE CC(C)CCN(CCC(C)C)C1=C(n2nnc3ccccc32)C(=O)c2ccccc2C1=O 35445096 NCACXQMVSVKSHS-UHFFFAOYSA-N 430.552 5.073 30 10 IKEE C=CCC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)CC1CC1 36304914 QAWSYARYCAZGPD-RUZDIDTESA-N 445.607 5.821 30 10 IKEE Cc1ccc(-n2c(C)cc3c2CC(C)(C)C/C3=N\OC(=O)c2cccc([N+](=O)[O-])c2)cc1 39853103 XAMZWYULLBINOE-XTCLZLMSSA-N 431.492 5.536 30 10 IKEE O=C(O)c1cccc(/N=C2/S/C(=C\C=C\c3ccccc3)C(=O)N2c2ccccc2)c1 39866777 FCXMELUTHQPTBA-RCDWROMASA-N 426.497 5.750 30 10 IKEE COc1cccc2cc(C(=O)Oc3ccc4c(c3)O/C(=C\c3sccc3C)C4=O)oc12 41354197 CGSMVDYKVHVPMX-UNOMPAQXSA-N 432.453 5.647 30 10 IKEE Cc1ccc(COc2ccc3c(c2C)O/C(=C\c2ccc(-c4ccccc4)cc2)C3=O)cc1 41433295 JEZOJAAIHBWYJK-VEILYXNESA-N 432.519 7.166 30 10 IKEE CC(C)(C)c1ccc(/C=N\N=C2\S/C(=C\c3cccs3)C(=O)N2Cc2ccco2)cc1 47137723 QYIHQFXSMGJSFQ-OHEUIWFYSA-N 449.601 6.145 30 10 IKEE O=C1/C(=C\c2cccn2-c2ccccc2)S/C(=N/c2ccccc2)N1C1CCCCC1 59303149 ZLKMSFINXZCURY-ZLFJWLGHSA-N 427.573 6.414 30 10 IKEE O=C1C[C@H](S/C(=N/c2ccccc2)NCc2ccccc2)C(=O)N1c1cccc(Cl)c1 59446236 NQAJVLICPMXSQS-NRFANRHFSA-N 449.963 5.183 30 10 IKEE CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)/C1=N/Nc1ccc(Cl)c(Cl)c1 100149634 NNZYXZDHBOWPJF-XIEYBQDHSA-N 444.347 5.616 30 10 IKEE CCCCCCCCCCCCCC(=O)Nc1cccc(C(=O)NC[C@@H]2CCCO2)c1 100442444 XSFLBGOCHNMFFV-DEOSSOPVSA-N 430.633 6.235 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(C)cc2C)c1 169935545 BARRSRRXUZUEQE-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE CCCCCCCCCOc1ccc(-c2nc3cc(C)c(C)cc3[nH]2)cc1Br 169940883 XTGICDBSBPERIO-UHFFFAOYSA-N 443.429 7.739 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3cccs3)cs2)cc(Br)c1OC 169941668 HGJFTOQOUCBXJO-OCKHKDLRSA-N 438.372 5.487 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccc(O)cc2)cc1 169959324 RKMVZFVPEZIQPE-JOCHJYFZSA-N 433.891 5.391 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccccn2)cc1 169992412 URXBBCQUYUMSEH-VWLOTQADSA-N 440.543 5.481 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2ccccc2)cc1 170029079 FCMOUBUBVZITJL-XMMPIXPASA-N 443.499 5.185 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2ccc(F)cc2)cc1 170060683 IDBDGFMOQOZNPT-QHCPKHFHSA-N 447.462 5.016 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccccc1F)c1c[nH]c2ccccc12 170070698 QIMRJBFIGIUDGV-JOCHJYFZSA-N 446.865 5.743 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccc(O)cc2)cc1C 170132203 BMEPIASQZHNMAH-DEOSSOPVSA-N 443.499 5.109 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cc4cc(Cl)ccc4o3)=C(O)C(=O)N2c2ccccc2)c1 170141848 KAPSLEQTQURJDA-QHCPKHFHSA-N 443.886 6.178 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(OC)c3)[C@@H]2c2ccccc2)cc1 170224280 DKJLGOFSSDUTSV-DEOSSOPVSA-N 443.499 5.049 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccccc1F 170253208 PKRKZNDFPYGHNN-LJQANCHMSA-N 446.316 5.357 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1c[nH]c2ccccc12 170255839 NTGCQSKHOIWAPC-OAQYLSRUSA-N 434.879 5.556 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1Cc1cccs1 170269848 HQYRXYAEMYRDNF-XMMPIXPASA-N 443.568 5.714 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC(C)C)cc3)[C@@H]2c2ccco2)cc1 170287647 VSADNWXPIABTMA-QHCPKHFHSA-N 431.488 5.406 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@H]1c1ccc(C)o1 170302269 SQEMCEAASFZTMW-QFIPXVFZSA-N 435.451 5.135 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2Cc2ccco2)o1 170307100 VDRJMZWYBOISCF-JOCHJYFZSA-N 435.476 5.055 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2c[nH]c3ccccc23)cc1Cl 170384365 NVJCUQFCDAKKBA-HSZRJFAPSA-N 442.902 5.913 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1CCc1ccc(Cl)cc1 170425213 PIUSOUDMFNSAQQ-HXUWFJFHSA-N 437.948 5.531 30 10 IKEE CCCCCCCCCCCn1c([C@H](C)NC(=O)/C=C/c2ccccc2)nc2ccccc21 205700107 LPLKXXNDHDZZDD-JVAQPQQASA-N 445.651 7.458 30 10 IKEE COc1ccc(/C=C2\C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cc1OC 253566421 IXKJEQQDDXKZRU-QXCCTVBYSA-N 436.592 5.590 30 10 IKEE C=C1SC(=Nc2cccc(OC)c2)N(C(=O)[C@@H](c2ccccc2)C2CCCC2)C1(C)C 254567308 RAMYAZFESKGKCS-QHCPKHFHSA-N 434.605 6.524 30 10 IKEE CC1(C)OB(c2ccc(OCCOc3ccc(OCc4ccccc4)cc3)cc2)OC1(C)C 312141239 JJTPUJWJIJYKOK-UHFFFAOYSA-N 446.352 5.023 30 10 IKEE CCCCCCCC[C@@H](NC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 406756290 KJSKJQHJQOGGDH-LJQANCHMSA-N 427.427 6.807 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2cc(Cl)c(O)c(Cl)c2)c1 526514630 GINMDELGZVJFOA-GOSISDBHSA-N 443.311 5.689 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2cccc(C(F)(F)F)c2)c1 526517734 VNHHVLLNQWTOSJ-LJQANCHMSA-N 426.419 5.696 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1ccc(OC)c(O)c1 526813702 BYMPRHVJONZPSL-YVNNLAQVSA-N 437.352 5.036 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1ccc(OC(C)C)cc1 526825267 BQHZDLWBWNJTKT-MYYYXRDXSA-N 426.561 5.722 30 10 IKEE CSc1nc(O)c(C(=O)Nc2cc(Cl)ccc2NCC2CCCCC2)cc1C#N 542991842 VGGUDQBKABHGLM-UHFFFAOYSA-N 430.961 5.279 30 10 IKEE C[C@@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)CN1C(=O)OC(C)(C)C 698858358 LRAYANNREFWXEH-WAIKUNEKSA-N 433.524 5.249 30 10 IKEE C[C@@H]1N(Cc2ccccc2)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 698945439 NHJHOERWIIWMMT-UUOWRZLLSA-N 425.960 5.638 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@H](C#N)c1ncc(Br)s1 714072688 ZGDPWECGIPNCBH-GFCCVEGCSA-N 428.739 5.565 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 724031098 WIYMJKFXNMADAP-HOYKHHGWSA-N 429.561 5.466 30 10 IKEE COc1ccccc1CNN=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 1083998170 PBVSTSKKWILLIG-UHFFFAOYSA-N 438.358 6.129 30 10 IKEE CC1(C)CC(=O)[C-]([C@@H](C2=C(O)CC(C)(C)CC2=O)c2cc([N+](=O)[O-])ccc2Cl)C(=O)C1 1088689514 KSWGNCSAXBTBGE-LJQANCHMSA-N 446.907 5.066 30 10 IKEE Clc1ccc(N=C/C(=C/Nc2ccc(Cl)c(Cl)c2)c2ccccc2)cc1Cl 1088696621 YFHPWXKYKBRVHX-FLTVIHDBSA-N 436.169 8.156 30 10 IKEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(CC)[C@H](C)C1CCC1 1740847252 CCNCIQAKCNFSER-QGZVFWFLSA-N 434.588 5.211 30 10 IKEE C=CCN1C(=O)/C(=C(\C)c2cccc(N)c2)SC1=Nc1nc(-c2ccccc2)cs1 1772733996 CNXWCPNBYZJOSC-OIYMOPNQSA-N 432.574 5.572 30 10 IKEE CN(C)c1ccc(/C=C2\SC(=Nc3cccnc3Cl)N(C3CCCCC3)C2=O)cc1 1772736813 ZYLXOQDIHRAKDB-OIYMOPNQSA-N 441.000 5.738 30 10 IKEE COc1ccccc1/C=C1/SC(=Nc2cccc(C(=O)O)c2)N(C2CCCCC2)C1=O 1772738432 VRMDYDMXZMXHDG-QGJBXVFPSA-N 436.533 5.330 30 10 IKEE O=C1c2ccccc2C(=O)c2cc(N=Cc3cn(Cc4ccccc4)c4ccccc34)ccc21 1772743388 SUIZDOHNTPGGMT-UHFFFAOYSA-N 440.502 6.216 30 10 IKEE Fc1ccc(CON=Cc2cc3ccccc3nc2SCc2ccc(Cl)cc2)cc1 1848353056 CGMRRCHRLXHWSU-UHFFFAOYSA-N 436.939 6.870 30 10 IKEE C=CCOC(=O)c1sc(NC(=O)C2(Oc3cc(C)cc(C)c3)CCCCC2)nc1C 1859737163 PKXSMQHTBMOJIH-UHFFFAOYSA-N 428.554 5.132 30 10 IKEE CCOc1ccc(/C=C/C(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OCC 1860728467 CJGZYQCVVJCZQP-MHWRWJLKSA-N 431.488 5.497 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCSC)NC(=O)c1ccc(OCC(C)C)cc1 1861770906 MIRXKIZHGPXVNK-QFIPXVFZSA-N 436.662 5.050 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)c1cc([N+](=O)[O-])ccc1Cl 1861838306 IYIMAMKZJAOXJG-JOCHJYFZSA-N 439.984 5.404 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOCC)[C@H]2c2cccc(F)c2)cc1 1862390539 GHKHUQJBWQJQIP-QHCPKHFHSA-N 439.527 5.173 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 1862397472 PSBIPZSMYUXCJF-HSZRJFAPSA-N 449.547 5.194 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccccc1F 1862411796 PIRAABDUZCOLDR-FPTDNZKUSA-N 437.417 5.443 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)c1 1862411996 UBTXYRUVYHXJPB-GJULWVSJSA-N 425.475 5.430 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(F)cc2F)cc1 1862476951 GUMHUKUWRQKUCA-XMMPIXPASA-N 447.481 5.403 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(OC)cc1 1862501999 OUCYKGHUXGSIQZ-QFIPXVFZSA-N 425.500 5.301 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccccc1Cl 1862526819 KIMYPQHZOBGEQI-SFHVURJKSA-N 448.744 5.481 30 10 IKEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2ccccc2C)cc1 1862589596 OIANXPTZINTGTL-BXKMTCNYSA-N 443.499 5.049 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCC(C)C)cc1 1862618687 HHRKHZIUKLIKEG-XMMPIXPASA-N 449.591 6.007 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1F 1862641008 UXSUYOLIOGXYIH-JOCHJYFZSA-N 425.500 5.192 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cccc2ccccc12)c1cccc2ccccc12 1862651693 ATYJQOSZTMJNFI-MHZLTWQESA-N 447.534 6.514 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccccc1 1862660114 HZTLDKHQGBYFDE-UKILVPOCSA-N 433.592 6.747 30 10 IKEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccc(C)c1 1862661185 UATKLSWWUVWYFU-XMMPIXPASA-N 434.580 5.039 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc(Cl)c1 1862675948 XFCLORVUROQSSG-RBBKRZOGSA-N 443.946 6.416 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(F)cc2F)c1 1862700419 FTGHNCTYORKQRD-QFIPXVFZSA-N 441.474 5.275 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1cccc(O)c1)c1ccc2ccccc2c1 1862713344 MWCCRQXAKDBXCX-RUZDIDTESA-N 435.479 5.324 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(F)cc1 1862715217 LPNAOVHEGADILP-LAMXGVLKSA-N 443.518 6.136 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccc(F)cc3Cl)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1863030423 CGGHIHRSRSYQEK-UHFFFAOYSA-N 445.881 5.364 30 10 IKEE Cc1cc(Cl)ccc1NC1=C(c2ccccc2Cl)C(=O)N(c2cccc(C#N)c2)C1=O 1863076740 XVZSXKSBSXBAND-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE C=CCN1C(=O)C(Nc2cc(Cl)cc(Cl)c2)=C(c2cc(Cl)ccc2Cl)C1=O 1863382771 VXHGIDIADIZJSD-UHFFFAOYSA-N 442.129 5.678 30 10 IKEE C=CCN1C(=O)C(NCc2ccccc2OC(C)(C)C)=C(c2cccc3ccccc23)C1=O 1863582785 ADUQGCYEAVRGKD-UHFFFAOYSA-N 440.543 5.073 30 10 IKEE CCCC[C@@H](NC(=O)C[C@H](c1ccc(F)c(C)c1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866763541 CNVIOPMNUYTUDD-LADGPHEKSA-N 437.559 5.449 30 10 IKEE Cc1ccccc1-c1nc(Nc2ccccc2C#N)cc(N(C)CC(C)(C)c2ccccc2)n1 1868306526 FMQAETYPRZLVJA-UHFFFAOYSA-N 447.586 6.481 30 10 IKEE Cc1nc(Nc2ccccc2C#N)cc(N2CC(C)(C)c3ccccc3[C@@H]2c2ccccc2)n1 1868490980 ZRTFVFYFJIFUQX-NDEPHWFRSA-N 445.570 6.288 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)Nc2ccc3c(c2)OCO3)c(=O)cc1C 1870092968 NGWPWRDCTQHTOK-UHFFFAOYSA-N 442.556 5.044 30 10 IKEE C=CCOc1cn(Cc2ccc(Cl)cc2)c(CNc2cc(Cl)ccc2C)cc1=O 1870813633 UTUNAHAWMRVLFO-UHFFFAOYSA-N 429.347 5.689 30 10 IKEE CCCCCCCOc1cn(C[C@H]2CCCO2)c(CNc2cccc(C)c2C)cc1=O 1870833546 NGUDGMDPJKLFKR-HSZRJFAPSA-N 426.601 5.605 30 10 IKEE C=CCn1cc(OCc2ccc(F)cc2)c(=O)cc1CNc1ccc(Br)cc1 1871074364 FUJOMFDCTOINGP-UHFFFAOYSA-N 443.316 5.127 30 10 IKEE CCCCCCCCn1cc(OCCCCCC)c(=O)cc1CNc1ccccc1CC 1871125206 PRUUPQWCDIBPHZ-UHFFFAOYSA-N 440.672 7.342 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCC)c(=O)cc1CNc1cccc(Cl)c1 1871148693 WCGZURJOSZTAMC-UHFFFAOYSA-N 448.991 5.416 30 10 IKEE C=CCn1cc(OCc2ccc(C)cc2)c(=O)cc1CNc1ccc(N(CC)CC)cc1C 1871205474 LNQUEPFXSBFHNF-UHFFFAOYSA-N 445.607 5.688 30 10 IKEE Cc1c(OC(=O)c2ccc(C(F)(F)F)cc2)ccc2c1O/C(=C\c1cccc(F)c1)C2=O 1871376094 SOFFBTIQWXUZJZ-NDENLUEZSA-N 442.364 5.988 30 10 IKEE CCCOc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2OC)C3=O)c1 1871387631 HDHMTZKHQRIQAK-IWIPYMOSSA-N 444.483 5.628 30 10 IKEE O=C1/C(=C/c2ccc(Br)cc2)Oc2cc(OCCOc3ccccc3)ccc21 1871398790 PVVNQWUXLMVXLU-HMAPJEAMSA-N 437.289 5.523 30 10 IKEE Cc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1cccc(F)c1)C2=O 1871409064 INTLFWNWIDHADW-NQRZERFFSA-N 431.463 5.465 30 10 IKEE COc1ccc(OC)c(CC(=O)[C@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)c1 1872760189 IWIPLYJLHDHFHR-NRFANRHFSA-N 428.513 5.399 30 10 IKEE N#C[C@@H](C(=O)CCCOc1ccc(Cl)cc1)c1nc(-c2ccc3ccccc3c2)cs1 1872760450 OSRFPSGDMLGCRY-QFIPXVFZSA-N 446.959 6.652 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)c3cccs3)n2)cc1OCCC 1872767114 OEXAFCLALRORFR-MRXNPFEDSA-N 426.563 5.939 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@@H](C#N)C(=O)c3ccc(N(C)C)cc3)n2)c1 1872781356 TYTHRQQZGOJPIS-FQEVSTJZSA-N 435.549 5.164 30 10 IKEE CCCCCCCCNC(=O)c1ccc(CN(Cc2ccccc2)Cc2ccccc2)cc1 1872884749 CSDXIWHTWLEYKR-UHFFFAOYSA-N 442.647 6.979 30 10 IKEE Cc1nc(SCc2ccc(C(=O)Nc3cccc(Cl)c3C)cc2)c(C#N)c(C)c1C 1872895171 GGPNEPXVYWBOIV-UHFFFAOYSA-N 435.980 6.385 30 10 IKEE C=CCN1C(=O)C(Nc2cccc(OCCC)c2)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873276540 MSLCNQOBEVNWQH-UHFFFAOYSA-N 438.527 5.520 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C(=O)OCC)c2)=C(c2ccccc2)C1=O 1873415015 FESNPLMQJKTQNT-UHFFFAOYSA-N 448.563 5.416 30 10 IKEE COc1cc(/C=N/Nc2ccc(Br)cc2)ccc1OCc1ccc(Cl)cc1 1873498708 DTMGXCXGDWATBP-ZMOGYAJESA-N 445.744 6.136 30 10 IKEE Cc1ccccc1CSc1nnc(C)n1/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 1873500918 GKMLHJPKAMQBBS-ZMOGYAJESA-N 432.505 5.028 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)cc2C)cc2c(NCCCOC(C)C)ncnc21 1873628612 KSTHXPSJDRSUOX-UHFFFAOYSA-N 441.963 5.058 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1cccc(OC)c1 1874214522 QSMFPIGCLIRUNW-LFVJCYFKSA-N 442.972 5.112 30 10 IKEE COc1ccc(OCCCc2nnc(SC)n2/N=C/c2cccc3ccccc23)cc1 1874219824 GFYVKSRRTGFAQH-KOEQRZSOSA-N 432.549 5.056 30 10 IKEE CCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccccc1OC(C)C 1874255141 MHXRNMBYMUEHBQ-AFUMVMLFSA-N 438.597 5.564 30 10 IKEE COc1ccccc1CCc1nnc(SCc2ccccc2)n1/N=C/c1ccccc1F 1874314079 BHXRQERBUFTKTI-WPWMEQJKSA-N 446.551 5.386 30 10 IKEE C=C(C)CSc1nnc(COCc2ccccc2)n1/N=C/c1ccc(N(CC)CC)cc1 1874355613 SLLAJWFYFPNHOW-WGOQTCKBSA-N 449.624 5.392 30 10 IKEE C=C(C)CSc1nnc(CCc2cccs2)n1/N=C/c1ccc(OCCC)cc1 1874371620 IRLHGLZRLXPNEI-HZHRSRAPSA-N 426.611 5.464 30 10 IKEE CC(C)(C)c1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2)cc1 1874417059 WCANYARRUJXWPO-TURZUDJPSA-N 440.616 6.341 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2ccccc2F)nnc1[C@H]1CCCO1 1874445675 IJTRGRYMHKWTGS-JAMLUQCHSA-N 440.544 5.232 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccccc3C)nnc2C2CCCC2)c1OC 1874452136 FXNCWQXRYRNXNP-MFKUBSTISA-N 436.581 5.436 30 10 IKEE CCCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1/N=C/c1ccc(CC)cc1 1874478272 XJXMJMJYFCUZSH-BUVRLJJBSA-N 440.569 5.127 30 10 IKEE CC(C)Cc1nnc(SCCc2ccccc2)n1/N=C/c1cccc(Br)c1 1874490183 DCXOYCYLJJNYHL-HZHRSRAPSA-N 443.414 5.456 30 10 IKEE CC(C)Cc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc2c(c1)OCCO2 1874491357 MYHYHPNDWZFILU-ZMOGYAJESA-N 442.972 5.076 30 10 IKEE C=C(C)CSc1nnc(CC)n1/N=C/c1ccc(OCCc2ccccc2)c(OC)c1 1874526997 RHPYOCSWZUIARS-PCLIKHOPSA-N 436.581 5.021 30 10 IKEE CSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccc(C)cc1 1874542387 XUQBRGCSYOWNEN-ZVHZXABRSA-N 428.989 5.472 30 10 IKEE Fc1ccccc1COc1ccc(/C=N/n2c(S)nnc2-c2ccccc2Cl)cc1 1874562319 OGABZGBBSDBDMY-DHRITJCHSA-N 438.915 5.488 30 10 IKEE CCCOC(=O)COc1ccc(Br)cc1/C=C/C(=O)c1ccc(C(C)C)cc1 1874583650 YZNOMMHKHJHDQL-PKNBQFBNSA-N 445.353 5.801 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OCc3ccccc3F)c2)cc1OCCC 1874594390 HUSPOVAONUSJLY-WYMLVPIESA-N 448.534 6.878 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1OCC(=O)Nc1ccc(C)cc1 1874594572 RGKRFLDEBUKYBP-VZUCSPMQSA-N 437.442 5.195 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1C 1874602135 WFRGAJNFWMOFJJ-UKTHLTGXSA-N 430.460 5.125 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 1874615915 DLEICYJOXRUIFH-MDWZMJQESA-N 449.934 5.879 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3ccccc3C)c(OC)c2)cc1 1874616461 BEESQLPZXFEGQX-XNTDXEJSSA-N 446.543 6.276 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1F 1874621816 VYEIPMXXFQENIE-RUDMXATFSA-N 441.842 5.871 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)c1 1874630374 UQSOBLCXXSRPAP-SDNWHVSQSA-N 432.516 5.968 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCc3ccccc3C)c2)cc1 1874696362 VAEJTKSHGYWJQZ-XDJHFCHBSA-N 426.556 6.772 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)c2)c(C)c1 1874701808 AMFURCYVNMEUID-SZLQQSRFSA-N 430.931 6.562 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OC(=O)Cc1ccc(Cl)cc1 1874707997 HXZHMTIADBABQC-MKMNVTDBSA-N 448.946 6.516 30 10 IKEE CCc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc(C(C)C)cc3)ccc2OC)cc1 1874708365 ZAVFWUUVKDRMEY-LZYBPNLTSA-N 428.528 6.496 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OC(=O)c1ccc(Cl)cc1 1874710211 XGNVYMBCAPXSLL-WTDSWWLTSA-N 428.818 5.742 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OC(=O)[C@@H](C)c1ccccc1 1874716230 ISGSJAALUGPYGA-KONDSOJQSA-N 428.528 6.226 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc(F)c(F)c3F)c2)cc1C 1874718072 QWEHGBMIISJBJT-JXMROGBWSA-N 440.417 5.845 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(Cl)cc2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 1875085304 ZCXIGQCGAQRBDO-ONNFQVAWSA-N 442.254 6.017 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1Cl 1875096734 CDIKHFRGYVDRGM-GXDHUFHOSA-N 436.979 6.991 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1[N+](=O)[O-] 1875097611 UGZCZISESPSNNP-GXDHUFHOSA-N 447.531 6.246 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)cc3F)c(Cl)c2)c1 1875102494 KFAGXOSTIJKJQJ-WEVVVXLNSA-N 442.845 5.671 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)c3ccccc3)c(Cl)c2)cc1 1875107046 XOXJRGQBEOKJEX-NXNYUAIASA-N 446.974 7.288 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3Cl)cc2Cl)cc1 1875113676 SOAWOEGLRAJEJL-UKTHLTGXSA-N 425.311 6.671 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Br)c2)cc(Cl)c1OC(=O)C(C)C 1875114848 YTLOHEQVFLKZBU-BQYQJAHWSA-N 437.717 5.569 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2[N+](=O)[O-])c1 1875125978 KJHKLFOREDFBIJ-VZUCSPMQSA-N 449.890 5.909 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1Br 1875128453 ZMGBJHCFRXVJEI-ACCUITESSA-N 437.289 5.573 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1[N+](=O)[O-] 1875142096 KZNSSQJPHZQVFV-GXDHUFHOSA-N 441.499 6.594 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1cnc(C)cn1 1875149279 HXCLRVSSCVEPGE-NTUHNPAUSA-N 444.531 5.597 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)C(C)(C)C)c(Br)c2)cc1F 1875153185 VAQZRAWKYWSHRQ-VMPITWQZSA-N 435.289 5.444 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C2CCCC2)c(Br)c1)c1cccc2ccccc12 1875155223 RSVBAEMVIGPTKU-WYMLVPIESA-N 449.344 6.594 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1 1875155867 DKORFQLMTNFSPG-VCHYOVAHSA-N 428.528 6.253 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OC 1875157219 SXWBFGZSYLGXJC-OQLLNIDSSA-N 444.527 5.871 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)cc1)c1ccc(F)c(F)c1 1875162103 WZRBEMRTTMKTOH-CBHAQVADSA-N 438.857 6.223 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(F)c3)cc2[N+](=O)[O-])c1 1875162915 WPYMRPGWPHQVAF-XVNBXDOJSA-N 437.398 5.605 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3F)c(Cl)c2)c(OC)c1 1875178721 YRFMAOXCGORIAO-YRNVUSSQSA-N 440.854 5.612 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)c3ccccc3)c(OC)c2)cc1C 1875191377 JASBCNJWBJRMQM-RPAADVPWSA-N 444.527 5.926 30 10 IKEE N#Cc1ccc(OC2CCN(C(=O)CCc3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1 1892213532 CPWCBLWMZFZWSM-UHFFFAOYSA-N 436.861 5.233 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 1922055846 VLPZUGVLKWSIBC-GOTSBHOMSA-N 428.617 5.165 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1ccc(Br)c(C(F)(F)F)c1 1922069282 PKCROXDGMUSEOE-HXUWFJFHSA-N 442.319 6.282 30 10 IKEE CC(C)[C@@H]1C[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)CN1Cc1ccccc1 1928646824 WBURDEUBNRHRGD-RPLLCQBOSA-N 433.596 5.617 30 10 IKEE CC1(C)CC[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)[C@@H](OCc2ccccc2)C1 1953558574 RXLUPAVHYZEROX-CUBQBAPOSA-N 448.607 6.482 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)[C@@H]1C(C)(C)C 2014558983 WKQMKTPHLSXDIL-VBKZILBWSA-N 449.514 5.104 30 10 IKEE CCCCC#CC[C@@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 2024369616 HUTVDEOMIQVZAE-BJKOFHAPSA-N 430.633 5.439 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2031501261 ZOAYWRORZDYYCQ-YADARESESA-N 447.551 5.687 30 10 IKEE C=CCN(C[C@@H](NCCC)c1ccc(Br)c(Cl)c1)C(=O)OC(C)(C)C 2041576792 ATPKMCXJMCVSJB-QGZVFWFLSA-N 431.802 5.566 30 10 IKEE N#Cc1c(NC(=O)COC(=O)C=Cc2cccc(C(F)(F)F)c2)sc2c1CCCCC2 2042439104 OELJSOLXWGDWBQ-UHFFFAOYSA-N 448.466 5.103 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)cc1Cl)NCCC 2063095316 QGPACODIUQMTCT-DLBZAZTESA-N 431.802 5.093 30 10 IKEE C#CC[C@H](C)CC(=O)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2076060888 BYONUOARHVUKSQ-KMRXNPHXSA-N 428.528 5.497 30 10 IKEE CCc1nn([C@@H](c2ccc(C3CC3)cc2)C2CCC2)c(I)c1/C=N/O 2079006543 DGJUJTRFXMOKTN-VVJWVBNBSA-N 449.336 5.125 30 10 IKEE CC(C)(C)[C@@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)(F)F)c(C=NO)c1Cl 2079845427 SETSCVJUBNMFSR-CYBMUJFWSA-N 445.766 6.157 30 10 IKEE CC[C@@H](c1ccc(C(F)(F)F)cc1)n1nc(C(C)C)c(C#N)c1I 2079853827 GUCCTXKGUJLBPY-AWEZNQCLSA-N 447.242 5.501 30 10 IKEE Cc1cc(O)c([C@@H](n2nc(C3CC3)c(C#N)c2I)C(C)(C)C)cc1C 2079970903 ZAGYJAPXWLWFNF-GOSISDBHSA-N 449.336 5.195 30 10 IKEE CCCOc1ccc([C@@H](C2CC2)n2nc(C(C)(C)C)c(C=NO)c2Br)cc1 2080077617 HJQCCMJJIPWGAQ-GOSISDBHSA-N 434.378 5.539 30 10 IKEE CC(C)c1c(C(F)(F)F)nn2c(Cl)cc(-c3ccc(C(F)(F)F)cc3F)nc12 2081321150 MIWBKUSYXLAXNB-UHFFFAOYSA-N 425.735 6.350 30 10 IKEE C=CCCCCCC[C@@H](NCCC)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2085848258 XYXLCXSLSZXSOX-JWQCQUIFSA-N 445.692 5.907 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H](O)c1ccc(Br)c(Cl)c1F 2098124714 XULCOLZWJSSPJX-PMACEKPBSA-N 442.756 5.026 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NC)c1ccc(-c2ccccc2Br)s1 2107918269 GAWNAOXAWFWCGN-JOCHJYFZSA-N 428.395 6.211 30 10 IKEE C=CCC1(Nc2cc(Br)c(Cl)cc2N)CCN(C(=O)OC(C)(C)C)CC1 2112701551 LGAFQFKYXBIYEJ-UHFFFAOYSA-N 444.801 5.442 30 10 IKEE C[C@@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)Nc1cc(Br)c(C#N)cc1F 2162420848 AKOYEJQPKBJWPA-XCLFUZPHSA-N 440.357 5.345 30 10 IKEE Cc1ccc(NC(=O)OC(C)(C)C)cc1CNc1cc(Br)cc(F)c1C#N 2203832986 DIECIPUPGSSNHJ-UHFFFAOYSA-N 434.309 5.727 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1cc(C)ccc1I 2217411916 ZZADIKWNDSSFFJ-NRFANRHFSA-N 435.349 5.413 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1sc(C)c(C)c1Br 2221841049 NMQIEZXFNKPPOU-GOEBONIOSA-N 431.440 5.638 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C=CC(=O)c2ccc(Br)cc2Cl)cc1 2230374858 HZXCIFOEPJQBDO-UHFFFAOYSA-N 436.733 6.346 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(C)c(Br)c(C)c1 2235605868 AAOLIQWBNXMGRX-QUCCMNQESA-N 437.422 5.413 30 10 IKEE CC(C)(C)N(Cc1ccccc1)C(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2247768690 XAPWQENVPRFNQJ-UHFFFAOYSA-N 427.781 5.080 30 10 IKEE Cc1cc(OCc2ccccc2)ccc1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267130833 SWDOGRJOCNEPIS-UHFFFAOYSA-N 449.381 5.187 30 10 IKEE CC(C)[C@H](C)N(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C(C)C 2267507270 LHJTXYXZYNLZNM-FQEVSTJZSA-N 438.421 5.055 30 10 IKEE C=CCC1(COc2cc(C)c(Br)cn2)CCN(C(=O)OC(C)(C)C)CC1 2272226819 CDWFIRGSDUWQJA-UHFFFAOYSA-N 425.367 5.125 30 10 IKEE Cc1nc(N2C(=O)C(=O)C(=C(O)c3ccc(Cl)cc3)[C@H]2c2ccccc2F)sc1C 2296110270 KHMLZOLRNZHSSP-GOSISDBHSA-N 442.899 5.179 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(-c3ccc(C(=O)OCCCC)cc3)o2)SC1=S 2297350427 OLCIRABIBFEORJ-UHFFFAOYSA-N 427.547 5.291 30 10 IKEE C=CCC(CC=C)[C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2301010448 PRMZASSDWNWVNY-ZTCOLXNVSA-N 430.633 5.622 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCN(C(=O)OC(C)(C)C)[C@@H]1C(F)(F)F 2303944267 ZKQMDZOUOLBCRS-MGPUTAFESA-N 449.514 5.104 30 10 IKEE O=C1C(=Cc2ccccc2)SC(=Nc2nc(-c3ccccc3)cs2)N1c1ccccc1 2314543375 BYRFUNKNXLMOIT-UHFFFAOYSA-N 439.565 6.619 30 10 IKEE C=CCC(CC=C)[C@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2316714361 GJMMUXPYNGPZBW-IGKIAQTJSA-N 441.660 5.292 30 10 IKEE COc1cc(OC)c(OC)cc1C=C1Oc2c(ccc(OCc3ccc(C)cc3)c2C)C1=O 2321745573 DXWFUGVMANBECD-UHFFFAOYSA-N 446.499 5.524 30 10 IKEE CCCCC[C@@H](CC)N1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(OCC)cc1)C3=O 2322075876 SUQLCOLOBVFQHL-OAQYLSRUSA-N 449.591 6.521 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2ccc(F)cc2)cc1C 2322416315 QDESXJKZFMGLNJ-UHFFFAOYSA-N 449.478 5.065 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccccc1OCC(=O)Nc1cccc(C)c1 2322845615 AVZFYCMZJMOZJJ-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccccc2OCc2cccc(Cl)c2)c(OCC)c1 2322907740 LHCGJXJJIQEFHU-UHFFFAOYSA-N 436.935 6.613 30 10 IKEE Cc1c(OC(=O)c2cccc(F)c2)ccc2c1OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2323299966 QLADQBCMKRPNCE-UHFFFAOYSA-N 443.257 6.276 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1OCc1ccccc1F 2323327174 GQDJSJPPFJCFDV-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE O=C(C=Cc1ccc(OCc2nc(O)c3ccccc3n2)cc1)c1ccc2c(c1)CCCC2 2323419765 XJKHBRUSQULMJE-UHFFFAOYSA-N 436.511 5.689 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)C=Cc4cccc([N+](=O)[O-])c4)cc(C)c3C2=O)cc1 2323435519 GLDMTIHCWONKIH-UHFFFAOYSA-N 441.439 5.447 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)cc([N+](=O)[O-])c1OCc1ccccc1 2323502048 NWGHHTDSWFQXMT-UHFFFAOYSA-N 433.460 5.477 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1cccc(F)c1 2323532464 CDHNFOOECWXQLT-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE CC(C)(Oc1ccc(Cl)cc1)C(=O)Oc1ccc2c(c1)OC(=Cc1ccccc1)C2=O 2323702602 ZLHITRZUOIAKKY-UHFFFAOYSA-N 434.875 5.719 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)c(OC)c1 2323767578 SAPXHUSGNQNDCW-UHFFFAOYSA-N 436.847 5.193 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)cc(OC)c1OCc1ccccc1C 2324129733 DCLCLCXUJDLGLS-UHFFFAOYSA-N 438.523 6.641 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1OCc1cccc(C)c1 2324332080 LFALNQYZBGVYRD-UHFFFAOYSA-N 448.990 7.366 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2cccc(C)c2)C3=O)cc1 2324380667 CYQFKGZJPXEHBU-IBGZPJMESA-N 427.500 5.634 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2F)C3=O)c(C)c1 2324494075 OBWCDCPKOPPSGN-KRWDZBQOSA-N 431.463 5.465 30 10 IKEE N#C[C@@H](C(=O)C=Cc1cccc(Cl)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2324534956 SNKABGYINUVKRY-HNNXBMFYSA-N 433.747 6.660 30 10 IKEE COc1ccc(C=C2Oc3cc(OCCCOc4cccc(C)c4)ccc3C2=O)c(OC)c1 2324561668 MUGMDQGHFTWALV-UHFFFAOYSA-N 446.499 5.476 30 10 IKEE Cc1cc(OCCOc2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1ccccc1Cl)O2 2324670458 XKORAPWWFZFQPJ-UHFFFAOYSA-N 441.310 6.376 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1cc(C)c2c(c1)OC(=Cc1ccc(C)cc1)C2=O 2325092812 RVRMLJHOPJARAJ-QFIPXVFZSA-N 436.548 6.201 30 10 IKEE CCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1cccc(Br)c1 2325610235 DFAQIZJJBXRPEB-UHFFFAOYSA-N 435.778 5.431 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2cccc(C=CC(=O)c3ccc(CC)cc3)c2)cc1 2325705628 BKPUPDGXSKZVQA-UHFFFAOYSA-N 442.555 6.472 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC(=O)CCCOc3ccc(Cl)cc3)c2)cc1 2325705639 DGOAZWLVFFNQFC-UHFFFAOYSA-N 448.946 6.563 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3cc(C)ccc3C)c2)cc1 2325718162 OCMFHWQGHQPKJH-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE COc1ccccc1C(=O)C=Cc1cccc(OC(=O)[C@H](C)Oc2ccc(C(C)C)cc2)c1 2325724085 AETCYNMTMRUPSL-FQEVSTJZSA-N 444.527 6.088 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccccc4C(C)C)c3C)C2=O)c1 2325726510 CAJKLSUBYDFWNJ-UHFFFAOYSA-N 441.527 6.061 30 10 IKEE COc1cccc(CCC(=O)Oc2cccc(C=CC(=O)c3cc(OC)ccc3OC)c2)c1 2325744505 IFZIOOZPDMOWTE-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE O=C(Oc1cccc(C=CC(=O)c2cccc3ccccc23)c1)c1ccc(F)c(F)c1F 2325750050 FDPLDKLMOKDLMV-UHFFFAOYSA-N 432.397 6.372 30 10 IKEE CSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccc(C(C)(C)C)cc1 2325985133 RJMNVUFGJUGIQD-UHFFFAOYSA-N 443.016 5.845 30 10 IKEE CCCOc1ccccc1C=Nn1c(COc2ccc(OC)cc2)nnc1SCCC 2328403545 JFMUXJNVIXKZOW-UHFFFAOYSA-N 440.569 5.039 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2ccccc2OC)cc1 2329272048 TXEIVGSSTXXEGO-UHFFFAOYSA-N 444.560 5.061 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2N=Cc2ccncc2)c1 2329403799 OOTDWXNPUYITLA-UHFFFAOYSA-N 427.577 5.364 30 10 IKEE CCc1ccc(C=Nn2c(Cc3ccc(C)cc3)nnc2SCc2ccccc2)cc1 2329986319 TWDUUYVHXCNGLP-UHFFFAOYSA-N 426.589 5.914 30 10 IKEE COC(=O)c1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2-c2ccccc2)cc1 2330625170 DHCKUGRQWDAUGI-UHFFFAOYSA-N 442.544 5.215 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OC(=O)Cc1ccc(F)cc1 2330675040 VMCSHHMLIZDJTB-UHFFFAOYSA-N 440.470 6.032 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2ccccc2C)nnc1[C@@H]1CCCO1 2330896123 RZKGZLZCHFTEEO-QFIPXVFZSA-N 434.565 5.177 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(F)cc1 2331040599 LXFGGFUCPWATOD-UHFFFAOYSA-N 435.407 5.248 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3)cc2Cl)cc1 2331265997 KTHONXMNIYXLNP-UHFFFAOYSA-N 434.875 5.689 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3)cc2Br)cc1 2331266751 FPMDKIPQOGGHTN-UHFFFAOYSA-N 449.344 6.110 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 2331331251 ZIGFXXKRUFZZRL-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE CN(C)c1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C(C)(C)C)cc1 2331398214 UGVGBCBOXUZPJA-UHFFFAOYSA-N 428.005 5.470 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1c(F)cccc1Cl 2331467695 VDCUAKDVBCYHNB-UHFFFAOYSA-N 437.371 6.097 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)C3CCC3)c(Cl)c2)cc1C(C)C 2331575143 LKBKWECMKDBUSQ-UHFFFAOYSA-N 426.940 6.382 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(C)c3C)cc2OC)cc1 2331630752 NZPIGUARZIQYMU-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3)c(Cl)c2)c1C 2331645740 NVOUOUFMLAADSB-UHFFFAOYSA-N 432.947 6.618 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1ccccc1Cl 2331657474 NPFJQQWMYYVMTI-UHFFFAOYSA-N 448.946 6.698 30 10 IKEE CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccc2C#N)[C@H]1c1cccs1 9433263 ZPNSYCMRUOZQQI-DHIUTWEWSA-N 429.545 5.195 30 10 IKEE CCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(-c4cccc(Cl)c4)nn32)cc1 9731846 NJAVUQHUCUXTIU-JOCHJYFZSA-N 448.954 5.655 30 10 IKEE COc1ccc(/N=C2\C(=O)N3c4c2cccc4[C@@](C)(c2ccc(Cl)cc2)CC3(C)C)cc1 12406311 IUDYNTLFXDEGGH-FQMPXJFESA-N 444.962 6.304 30 10 IKEE O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@@H](c1ccccc1Cl)Sc1ccccc1N2 17099857 OEZKHJKSWUULBM-IVCQMTBJSA-N 435.951 7.139 30 10 IKEE C=CCOc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)cc1 20891211 MDQJWAGFKBFPFY-NRFANRHFSA-N 448.573 5.130 30 10 IKEE C=CCC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC1CC1 36346430 XQJYAKQRUAOBBO-DEOSSOPVSA-N 449.570 5.651 30 10 IKEE O=C1/C(=C/c2cccc([N+](=O)[O-])c2)Oc2cc(OCc3ccc(Cl)cc3Cl)ccc21 39754089 MBSDOJGAIAFNKT-NKVSQWTQSA-N 442.254 6.097 30 10 IKEE O=C1N/C(=N\N=C\c2ccc(-c3ccccc3)o2)S[C@H]1Cc1cccc(C(F)(F)F)c1 39888399 OKUUVPSOGQMYAW-JMJNUIHMSA-N 443.450 5.130 30 10 IKEE Cc1ccc(NC(=O)c2cnn3c2NC2=C(C(=O)CC(C)(C)C2)[C@@H]3c2ccc(F)cc2)cc1 64873968 ICOLSOBTVNBSDX-QHCPKHFHSA-N 444.510 5.241 30 10 IKEE CCn1c2ccccc2c2nnc(N/N=C/c3cn(Cc4ccccc4)c4ccccc34)nc21 64981598 FPSQRYJEZUTHSP-LQKURTRISA-N 445.530 5.448 30 10 IKEE C=C(C)COc1ccc(NCC(=O)Nc2cccc(OCCOc3ccccc3)c2)cc1 66062131 VTYGIOCXUIFWJR-UHFFFAOYSA-N 432.520 5.150 30 10 IKEE CC(C)(C)c1ccc(-c2csc3[nH]c(SCc4cccc(C#N)c4)nc(=O)c23)cc1 96534616 QNRCYWPOZMRJQX-UHFFFAOYSA-N 431.586 6.113 30 10 IKEE CCCCCCCOc1ccc(C2=N/C(=C\c3ccc(Br)cc3)C(=O)O2)cc1 97997896 MKPJCXUHQAICEA-PGMHBOJBSA-N 442.353 6.143 30 10 IKEE CCCCCCCCC(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccc(C)c(C)c2)cc1 98021446 YSZBDCFPYRFCPA-SANMLTNESA-N 438.637 6.771 30 10 IKEE CCCCCCCCCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2cccc(C)c2)c1 98021573 GILYKPZRGKMCBT-SANMLTNESA-N 438.637 6.853 30 10 IKEE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)S/C1=N/c1cccc2ccccc12 100992025 VOFBKTRGDNDUCS-SIHNDCSESA-N 429.545 5.295 30 10 IKEE CCCCCCCCn1c([C@H]2CC(=O)N(c3ccccc3OCC)C2)nc2ccccc21 101325344 SAOSNAYRNQJCJJ-NRFANRHFSA-N 433.596 6.316 30 10 IKEE COc1cc(/C=C2/Oc3cc(OC/C=C\c4ccccc4)ccc3C2=O)cc(OC)c1OC 103023458 ZTGBLCKWTGTTRV-NPKOQXHNSA-N 444.483 5.421 30 10 IKEE N#Cc1cccc(Cn2c(Cc3cccc4ccccc34)nc3sc4c(c3c2=O)CCC4)c1 169902632 CSMWSNLAHIJWEK-UHFFFAOYSA-N 447.563 5.611 30 10 IKEE CCOc1c(Br)cc(/C=N\Nc2nc(C)c(C)s2)cc1Br 169942204 XMXQJMDHJVUQAC-IDUWFGFVSA-N 433.169 5.130 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@@H]2c2cccs2)cc1 169987080 MHYFQBKLNHWZJY-HXUWFJFHSA-N 439.920 5.501 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@@H]1c1ccccn1)c1cccc(Cl)c1 169995930 JMUAAUQJBQRSTP-HSZRJFAPSA-N 440.886 5.671 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2cccc(C)c2)cc1 170028251 SPLQJOQYGLLICF-VWLOTQADSA-N 441.527 5.793 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccco2)cc1 170031285 WBGOKJUBEAZRHD-NRFANRHFSA-N 437.879 5.110 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@@H]1c1ccccc1)c1ccc2ccccc2c1 170050150 KWADCPWPPWUSLF-RUZDIDTESA-N 449.462 5.351 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccc(F)cc2)s1 170063374 AYAZWZGAUCOZKE-GOSISDBHSA-N 442.899 5.335 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccccc1F)c1ccc(Cl)cc1 170070476 MAEGPEREILZVMA-FQEVSTJZSA-N 442.273 5.915 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2c[nH]c3ccccc23)ccc1F 170078346 LMENFLGPMKUKTM-QHCPKHFHSA-N 432.495 5.526 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCc3ccc(Cl)cc3)[C@@H]2c2ccco2)ccc1F 170096766 GCNBQWIOEAKAKG-OAQYLSRUSA-N 439.870 5.202 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2Cc2cccs2)c1 170139115 ZHVVYSRWZAMFAX-XMMPIXPASA-N 439.536 5.988 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccn2)ccc1Cl 170179221 XOKMONRRJDGEJC-OAQYLSRUSA-N 440.927 5.045 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc(OCC)c1 170217809 WFQJEEYNLZPHDY-DEOSSOPVSA-N 429.516 5.617 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(OCC(C)C)c1 170219039 ZRLJXNAPHOFFIA-NRFANRHFSA-N 427.928 5.363 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccccc2)c1 170221382 RIJORIWLPPRMHB-RUZDIDTESA-N 439.511 5.357 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCN(C)C)cc1 170244994 VDBBWMFAFFQCQT-VWLOTQADSA-N 442.559 5.103 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccccc1F 170253268 JEAUNOMSFIATGW-JOCHJYFZSA-N 425.500 5.381 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2C2CCCC2)cc1 170268719 KBCYOCFNGFAAOC-VOIUYBSRSA-N 431.532 5.093 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccco2)c1 170278835 VKOKCAZRWDVYFD-HSZRJFAPSA-N 425.440 5.224 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1ccc(Cl)c(Cl)c1 170397512 VNPHBEBCBGMWHB-OAQYLSRUSA-N 438.310 6.085 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)[C@H](C)Oc2ccc(C(C)C)cc2)nc2ccccc12 170536930 JAURELUEQUIWNK-SFHVURJKSA-N 439.519 5.130 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N1CCN(c2ccccn2)CC1 216016464 OJDPSTVIOPIKHP-UHFFFAOYSA-N 429.693 6.992 30 10 IKEE Fc1ccc(C=Nn2c(-c3cc4ccccc4o3)csc2=Nc2ccc(F)cc2)cc1 254494449 AVZJUNQHESNZDR-UHFFFAOYSA-N 431.467 6.356 30 10 IKEE Cc1ccc(COc2ccc(C=NNc3nc(-c4ccc(Cl)cc4)cs3)cc2)cc1 254708128 XOBITHPEXNVHBZ-UHFFFAOYSA-N 433.964 6.797 30 10 IKEE Cc1cc(C=NNc2nc3ccccc3s2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 254882996 GEEKBYBQYWOYQR-UHFFFAOYSA-N 448.901 6.822 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2ccc(F)cc2)[C@H]1c1cccc(C(F)(F)F)c1 526605977 ANHCQKCJOZBEOL-OAQYLSRUSA-N 438.380 5.773 30 10 IKEE CCOc1ccc([C@H]2C(c3cccc(OCC)c3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526606178 IDEHKNQMDBYQII-VWLOTQADSA-N 440.499 5.413 30 10 IKEE CCCc1nnc(SCc2ccccc2)n1/N=C\c1ccc(OC)c(Br)c1 526799819 PLHFUDQSQUDRGC-XKZIYDEJSA-N 445.386 5.176 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1cc(Cl)c(O)c(OC)c1 526803346 WEPOOZSUJHLUGF-MSXFZWOLSA-N 448.951 5.302 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccc(OCC)cc1 526821244 IJGCGMCKEXFNJQ-ONUIUJJFSA-N 430.577 5.957 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(NC(=O)N[C@@H]3CCCC[C@@H]3C)CC2)c1 586102977 ZHGHHUWWEODCMD-WMZHIEFXSA-N 440.632 5.007 30 10 IKEE C=CCNC(=O)Nc1cccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 586624548 YCDWEMHXYDUAAC-UHFFFAOYSA-N 431.336 5.284 30 10 IKEE CCC1CCC(=Nn2c(-c3cccc(Cl)c3)csc2=NCCc2ccccc2)CC1 588078952 BLSZAKDZWPYNBY-UHFFFAOYSA-N 438.040 6.818 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccc(Br)cc1Cl 698419350 MRNGDURUUXYPMJ-SFHVURJKSA-N 435.749 6.417 30 10 IKEE C=C(Cl)C[C@H](NCCC)c1cc(Br)ccc1I 710619592 ITOSRFHQXCRHBC-ZDUSSCGKSA-N 428.539 5.237 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H]3C[C@@H](CN3Cc3ccccc3)C2)c1 716619831 IOCCKUMCSRFAAJ-SHQBLQIYSA-N 431.580 5.683 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCC[C@H](NC(=O)OC(C)(C)C)C2)cc1 724029068 PDAGDUFSLCDYNJ-UUOWRZLLSA-N 429.561 5.466 30 10 IKEE COc1ccccc1N=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 1084589253 RNPXDAFVIPVFEY-UHFFFAOYSA-N 439.284 5.264 30 10 IKEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CC1(CC(C)C)CC1 1722278060 OSYMXZMEUKDDEK-INIZCTEOSA-N 445.405 5.000 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)SC1=Nc1cccc2ccccc12 1772723134 KZCJYRJVJYXURA-ZYITZIQLSA-N 430.529 5.647 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=Nc2cccnc2)N1C1CCCCC1 1772730352 BLXMBQZPVJXRKY-XRRPQMRDSA-N 432.376 6.325 30 10 IKEE Cc1cccc(N=C2S/C(=C\c3cn(C)c4ccccc34)C(=O)N2C2CCCCC2)n1 1772734928 FTQTYXZDICXDRX-OWJZXNPYSA-N 430.577 5.818 30 10 IKEE Cc1ccc(N=C2S/C(=C\c3cn(C)c4ccccc34)C(=O)N2c2ccc(C)cc2)cc1 1772742909 NIWZUFQUYCBEGF-IXQMQDOZSA-N 437.568 6.604 30 10 IKEE Fc1c(F)c(F)c(-c2ccc(Cl)c(-c3c(F)c(F)c(F)c(F)c3F)n2)c(F)c1F 1848358582 NIWHHMZECKHTNF-UHFFFAOYSA-N 445.643 6.460 30 10 IKEE N#Cc1ccccc1NC(=O)Oc1cccc2c(NC(=O)c3ccc(F)cc3F)cccc12 1858779510 VNZMEJXOJSCWIV-UHFFFAOYSA-N 443.409 5.853 30 10 IKEE CCc1nc2ccc(Br)cc2c(C(=O)Nc2sc3c(c2C#N)CCC3)c1C 1859653427 JNXMGSWHBPYSCS-UHFFFAOYSA-N 440.366 5.542 30 10 IKEE CC[C@@H](C)N(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1F 1859920603 HUQJJJAKHMQUGC-SNVBAGLBSA-N 425.319 6.448 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](C)NC(=O)CCCOc1ccc(C(C)(C)C)cc1 1861687186 ATNLSOPKOXVUSI-QFIPXVFZSA-N 446.676 5.905 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@H]2c2ccc(C(=O)OC)cc2)cc1 1862397474 PSBIPZSMYUXCJF-QHCPKHFHSA-N 449.547 5.194 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 1862398369 XFHKAKAAFUMLEV-VWLOTQADSA-N 447.619 6.561 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccccc2Cl)=C(O)C(=O)N1C1CCCCCCC1 1862428960 BQBHXXIJUBZOFQ-HSZRJFAPSA-N 437.967 6.340 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(Br)cc1 1862439802 PDBPUAJQLZEODO-KRWDZBQOSA-N 434.717 5.091 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccc(C)cc2)cc1 1862501531 FBCIQZQDFKXWQL-XMMPIXPASA-N 445.490 5.230 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@H]2c2c(Cl)cccc2Cl)cc1 1862521332 GFSCINVLUAKYFU-IBGZPJMESA-N 434.319 5.380 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2ccc(F)cc2F)cc1 1862535320 YBEWIKLEKFYNBW-DEOSSOPVSA-N 447.481 5.614 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(OC)cc1 1862591663 LSXUOAJVRSQBMR-CVDCTZTESA-N 437.536 5.338 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@H]1c1cccc(Cl)c1)c1cccc(O)c1 1862591693 MEMIAWNJAFIBBY-QFIPXVFZSA-N 439.939 5.737 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccccc1Cl 1862618046 OAKAJEIKPHQOHN-BTYIYWSLSA-N 425.956 6.014 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(Cl)cc1 1862652566 JEOKEDVTCXWZPK-DEOSSOPVSA-N 447.962 6.652 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc([N+](=O)[O-])c1 1862653267 CTKMWMXJGNVMTJ-QHCPKHFHSA-N 444.487 5.372 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccccc1)c1ccc2ccccc2c1 1862713516 QEKKFBYMZLBAFU-AREMUKBSSA-N 433.507 5.661 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccc(OC)c1 1862724599 PTLYIQKGWTZBCA-BVZFJXPGSA-N 441.527 5.739 30 10 IKEE CC(C)c1ccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862776875 KNCPBZJTPVHCLD-UHFFFAOYSA-N 425.463 5.217 30 10 IKEE CCCCCN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863283692 GWMOCCNQELRYEL-UHFFFAOYSA-N 428.319 5.247 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(F)cc2)c(CN2CCC(C)CC2)cc1=O 1870410718 CCFDSCMTUBPZRS-UHFFFAOYSA-N 428.592 5.617 30 10 IKEE C=CCOc1cn(C[C@@H](c2ccccc2)N2CCCC2)c(CNc2ccc(F)cc2)cc1=O 1870811896 JLOUSVXZHAAUNT-VWLOTQADSA-N 447.554 5.001 30 10 IKEE CCCCCCCOc1cn(CCCCCCO)c(CNc2ccccc2CC)cc1=O 1870839165 NRBKVOOWIRZMKT-UHFFFAOYSA-N 442.644 5.925 30 10 IKEE CCCCCCCCCCn1cc(OCC(N)=O)c(=O)cc1CNc1cc(C)ccc1C 1871118132 CCAUXJAQQLXMRK-UHFFFAOYSA-N 441.616 5.082 30 10 IKEE O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)Oc2c1ccc1c2CN(Cc2cccc(Cl)c2)CO1 1871348235 ZJITWITWWOOQFP-JJFYIABZSA-N 448.862 5.217 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(N(C)C)cc1)O3)CN(C1CCCCCCC1)CO2 1871349388 RENGDURPYZLAEF-XYGWBWBKSA-N 446.591 5.942 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccccc1)O3)CN(C13CC4CC(CC(C4)C1)C3)CO2 1871353183 MRYILXIUTFHZFP-MYKKPKGFSA-N 427.544 5.732 30 10 IKEE CCCCC[C@H](CC)N1COc2c(cc3c(c2C)O/C(=C\c2ccc(OCC)cc2)C3=O)C1 1871353315 LJJNIHAFEIFXJE-JOODZBNRSA-N 449.591 6.521 30 10 IKEE COc1ccccc1/C=C1\Oc2c(ccc(OCCCCOc3cccc(C)c3)c2C)C1=O 1871403047 BWAICTNSJKMWOE-ITYLOYPMSA-N 444.527 6.166 30 10 IKEE CCCCCCCCN=c1[nH]c(=NCCCCCCCC)[nH]c(=NC2CCCCC2)[nH]1 1871741663 XXSYIBVRSSFFCF-UHFFFAOYSA-N 432.701 5.427 30 10 IKEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1871878439 GHHGKYFSXFTUEL-OAQYLSRUSA-N 449.016 5.249 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1C(C)C)C(C)C)S(=O)(=O)c1ccc(F)cc1 1872439244 UPDKTELPVBLBHU-HSZRJFAPSA-N 446.588 5.179 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1ccccc1CC)S(=O)(=O)c1cc(C)ccc1C 1872475652 OTWZEOXISOTDMB-HSZRJFAPSA-N 442.625 5.240 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccc(Cl)cc3)n2)c(C)c1C 1872778894 WYVAFVOQNWHLMR-DNVCBOLYSA-N 440.952 5.733 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)c3ccc(C(C)(C)C)cc3)n2)cc1C(C)C 1872779236 FHWMHFXWRPINNV-QFIPXVFZSA-N 446.616 7.038 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@H](C#N)C(=O)Cc2cccc3ccccc23)n1 1872788325 HBXZPLWUYPOZJR-HXUWFJFHSA-N 432.932 6.044 30 10 IKEE N#Cc1ccccc1Nc1nc(N2CCCc3ccccc32)nc2c1cnn2-c1ccccc1 1873484330 MROXMMIFDHRKDJ-UHFFFAOYSA-N 443.514 5.515 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2ccc3cc[nH]c3c2)c(C)c1 1873505445 OPGMQXLMWGEPLE-LGJNPRDNSA-N 446.580 5.113 30 10 IKEE CCCCCOc1ccc(/C=N/Nc2cnn(-c3ccccc3Cl)c(=O)c2Cl)cc1 1873529609 VACNUDJXMDAHFI-AFUMVMLFSA-N 445.350 5.554 30 10 IKEE C=CCn1c(C(=O)Nc2ccccc2CC)cc2c(NCCc3ccc(F)cc3)ncnc21 1873616164 WLLBZFPGPSCMOH-UHFFFAOYSA-N 443.526 5.226 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(Cl)c2C)cc2c(NCc3cccc(C)c3)ncnc21 1873617926 PMHLJYBRWIZMST-UHFFFAOYSA-N 445.954 5.752 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)NCCCCCCCCCC)c(=O)oc2c1 1873935676 VVOTXPFGUGUEHJ-UHFFFAOYSA-N 427.585 5.856 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1ccc(O)cc1 1874224265 BHHBGHQYGYEZQD-PCLIKHOPSA-N 436.581 5.108 30 10 IKEE CCCOc1ccc(/C=N/n2c(COc3ccccc3OC)nnc2SCCC)cc1 1874290356 PMOLFQHBLPGIEG-LFVJCYFKSA-N 440.569 5.039 30 10 IKEE Cc1cccc(/C=N/n2c(Cc3ccccc3[N+](=O)[O-])nnc2SCc2ccccc2)c1 1874297115 LHAGZXURXUIOHC-PCLIKHOPSA-N 443.532 5.260 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccc(C)c(C)c3)n2/N=C/c2cccn2C)c1 1874358770 YVTYGZAXXCWSBH-JVWAILMASA-N 443.620 5.616 30 10 IKEE Cc1ccc(/C=N/n2c(CCc3ccccc3C)nnc2SCc2ccc(F)cc2)cc1 1874361048 JWBUTRIDMRWBOZ-OGLMXYFKSA-N 444.579 5.994 30 10 IKEE Cc1cccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCc2cccc(F)c2)c1 1874377927 VSSNIXNUMYQBQP-JFLMPSFJSA-N 434.515 5.630 30 10 IKEE COc1cccc(/C=N/n2c(COc3ccccc3)nnc2SCc2cccc(C)c2)c1 1874383477 CCHXXOBJKZYCPN-WGOQTCKBSA-N 444.560 5.349 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2ccc(Cl)cc2)cc1 1874389536 RLPCYHUOMRQLRK-WGOQTCKBSA-N 432.980 6.005 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2)n1/N=C/c1ccc(OCCCC)cc1 1874403112 UQBRZEJSDCAYQS-NLRVBDNBSA-N 434.609 5.793 30 10 IKEE Cc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2c(F)cccc2Cl)c1 1874441631 DWCJXPZOPUVTGU-DHRITJCHSA-N 430.980 6.142 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2cccc(F)c2)nnc1[C@@H]1CCCO1 1874447790 MIKLKDVTULSULB-XAOCGEIJSA-N 440.544 5.232 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(C2CCCC2)n1/N=C/c1ccccc1 1874452308 OXQMFAMOTVJCNY-PCLIKHOPSA-N 433.581 5.111 30 10 IKEE Oc1cccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C(F)(F)F)c1 1874462884 JJNYCSKPNMVNIW-LIMNOBDPSA-N 447.269 5.484 30 10 IKEE CCSc1nnc(CC(C)C)n1/N=C/c1ccc(OCCc2ccccc2)c(OC)c1 1874488211 PYYCVSSNYOUBRL-KOEQRZSOSA-N 438.597 5.101 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2ccccc2F)cc1 1874490001 VACRDQPKXANAKD-WGOQTCKBSA-N 440.588 5.969 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1cc(Cl)ccc1O 1874509540 HPVYUPSNOZPCNA-AUEPDCJTSA-N 439.343 5.557 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CC2)c1 1874520686 LGMJPIHCNWJNDY-WGOQTCKBSA-N 428.561 5.882 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2F)cc1 1874576148 ZDUZMPHMBNXKBO-XYOKQWHBSA-N 439.870 5.401 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Cl)ccc1OCC(=O)Nc1cc(C)ccc1C 1874576784 GGRXOEBHHVKQSH-ZRDIBKRKSA-N 449.934 5.879 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Br)ccc1OCc1cccc(C)c1 1874577053 UKDBHIBGOKNXIU-ZRDIBKRKSA-N 437.333 6.241 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2cc(C)cc(C)c2)cc1 1874579868 MNSYXNJPUVDEHE-SDNWHVSQSA-N 443.543 6.006 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1 1874584042 SSJVJDXWIYCFOF-UKTHLTGXSA-N 425.355 7.592 30 10 IKEE O=C(/C=C/c1ccccc1OCc1cccc(Cl)c1)c1ccc(Oc2ccccc2)cc1 1874585584 WWDSKIWMIASUEM-OBGWFSINSA-N 440.926 7.607 30 10 IKEE CCN(CC)C(=O)COc1c(/C=C/C(=O)c2ccc(OC)c3ccccc23)cccc1OC 1874591836 FCALQPFGIVGRJY-JQIJEIRASA-N 447.531 5.000 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)cc1 1874604237 BITHDZXNGSDIFN-WLRTZDKTSA-N 437.898 5.955 30 10 IKEE CCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1 1874657204 NSDBDNDDTLYWTI-VWLOTQADSA-N 433.596 5.262 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cc(C)cc(C)c3)c2)cc1C 1874696418 VTPOFOPJJUMWCU-RMKNXTFCSA-N 430.500 5.744 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)c1)c1ccc(Cl)cc1 1874700885 QXAXFCNPSLAFLQ-XJWULPMGSA-N 437.322 6.599 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCc3ccccc3C)c2)cc1 1874703293 IVMCWKYJLZIGFR-GZTJUZNOSA-N 428.528 6.218 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OC(=O)COc1ccc(C)c(C)c1 1874704054 UYDQHVSNBYOFBT-IZZDOVSWSA-N 448.490 5.640 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)Cc2ccc(F)c(C)c2)c1 1874717924 GDBDHTRZDHGYJC-JXMROGBWSA-N 438.882 5.840 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccs2)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 1875097320 FUXPBCQTTVBVAH-YRNVUSSQSA-N 433.485 5.650 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc1OC 1875109068 USDYMXYRABGMPH-NTCAYCPXSA-N 438.564 6.564 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1Cl 1875121585 XGCBPCBJWVNPFW-PKNBQFBNSA-N 441.310 6.046 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)c1cnc(C)cn1 1875121653 ALHWCOIVIHHHEQ-MDZDMXLPSA-N 448.906 5.291 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC(=O)c1cccc(OC)c1 1875122258 USGZWINMGLMGRI-ZRDIBKRKSA-N 436.891 5.863 30 10 IKEE CN(C)c1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2Cl)cc1 1875125974 KGDFXZXVMFMVRQ-QLKAYGNNSA-N 440.326 6.175 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)CC1CCCCC1 1875132689 ZDOCFMMEACHJLW-JLHYYAGUSA-N 426.940 6.429 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C2CCCC2)c(Cl)c1)c1ccc(Oc2ccccc2)cc1 1875165156 FKXIUZOFQSIACP-MHWRWJLKSA-N 446.930 7.124 30 10 IKEE Cc1c(N=[N+]=[N-])cc(CC(=O)O)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 1887520773 DITDDTNXALRWLC-UHFFFAOYSA-N 428.448 5.925 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)C3CC4(C3)CC(c3ccccc3)C4)ccc21 1890691542 UHPBVWMEBHEPAM-UHFFFAOYSA-N 444.575 5.537 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1CN(C(=O)OC(C)(C)C)C2(CCC2)C1 2001525476 GBNHPTXTGZJUKI-XZOQPEGZSA-N 428.617 5.307 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H]1CN(C(=O)OC(C)(C)C)CC12CCCC2 2006547440 NIHKZZXJURTNMK-GOTSBHOMSA-N 428.617 5.165 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Cl)c(Br)c1F 2063095937 XQQZVSUGAPWWMN-BBRMVZONSA-N 435.765 5.362 30 10 IKEE Cc1ccc([C@@H](C(C)C)n2nc(C(C)C)c(C#N)c2I)c(F)c1 2079039737 JSBAAMRODDPCNV-QGZVFWFLSA-N 425.289 5.176 30 10 IKEE CC(C)(C)c1nn([C@@H](c2ccc(C3CC3)cc2)C2CCC2)c(Br)c1/C=N/O 2079073435 IFMVFKPAUXCLAS-NZYROCMPSA-N 430.390 6.018 30 10 IKEE CCc1ccc([C@H](C2CCC2)n2nc(C(F)F)c(C#N)c2I)cc1 2079137026 GZOGYFHVIGWYSS-INIZCTEOSA-N 441.263 5.249 30 10 IKEE CC[C@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)(F)F)c(CN)c1Br 2079979164 MACNZYSEJMCPAY-LLVKDONJSA-N 448.180 5.280 30 10 IKEE Cc1cc(O)c([C@@H](n2nc(C(C)(C)C)c(C=NO)c2Br)C(C)(C)C)cc1C 2080025061 MVCPHLCMYVYBKP-GOSISDBHSA-N 436.394 5.709 30 10 IKEE N#Cc1c(C2CCCCC2)nn(Cc2ccc(C(F)(F)F)cc2Br)c1N 2080348556 LPVAMAAPTKCDOK-UHFFFAOYSA-N 427.268 5.214 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2sc(Br)cc2C)cc1 2100762373 HBEXMLTXRQCUMA-HNNXBMFYSA-N 437.359 5.834 30 10 IKEE C=CCC1(C(=O)Nc2cc(Cl)c(C)cc2Br)CN(C(=O)OC(C)(C)C)C1 2124499662 OLWUBWVWELKFNT-UHFFFAOYSA-N 443.769 5.163 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(Cc3ccccc3)C(C)(C)C2)cc1 2135155721 GBTIDGLRCFAHQQ-HHHXNRCGSA-N 449.595 5.774 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cccc(Br)c1Cl 2136582015 DGOYSPNYLNSWLU-SJLPKXTDSA-N 445.829 6.003 30 10 IKEE CCCCC#CC[C@H](NCC)c1ccc(Br)cc1I 2142289911 VYIQJNIPDNRKAI-INIZCTEOSA-N 434.159 5.288 30 10 IKEE COc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)c(C)c1 2143773351 ZNGXHGPIFKIAIT-IBGZPJMESA-N 431.330 5.773 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CC12CCC(Nc1ccc(Br)c(C#N)c1)CC2 2158237887 IHTVLGXUHGWKCE-FQWCMUAHSA-N 434.378 5.206 30 10 IKEE CCCN(C[C@H]1CCCCN1C(=O)OC(C)(C)C)c1cc(Br)ccc1C#N 2174813593 YFCPKKRKFNYQIJ-GOSISDBHSA-N 436.394 5.327 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](CNc2cc(Br)cc(C#N)c2)[C@H]2CCCC[C@H]21 2179393626 SOOUPMIIJIAEKX-KFKAGJAMSA-N 434.378 5.158 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCC)c2c(C)ccc(Br)c2F)C1 2183008178 MAWBJDLYXNJRBY-SFHVURJKSA-N 441.385 5.408 30 10 IKEE CC(C)(C)OC(=O)Nc1ccccc1OCCNc1ccc(C#N)cc1Br 2183230539 HCQJXLUNSPOYQH-UHFFFAOYSA-N 432.318 5.159 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccc(C#N)c(Br)c2)C(F)(F)CC1 2197022825 DNMZNDQWXNJMTF-MRXNPFEDSA-N 444.320 5.158 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C1 2220393802 RDEVZKZMGXUWFC-OBWXTZQISA-N 447.551 5.495 30 10 IKEE Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)Nc1ccc(C#N)c(Br)c1 2237309627 BONWVCHVCURPAZ-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2ccc(C#N)c(Br)c2)C[C@H]2CCCC[C@H]21 2240972982 QPLGVZKNYAPRSP-DKSSEZFCSA-N 434.378 5.301 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCC2)C[C@H]1C(F)(F)F 2252637456 FFDVQSVGCCCYIO-MGPUTAFESA-N 447.498 5.000 30 10 IKEE C=CC[C@@]1(COc2cc(Br)cc(F)c2N)CCCCN1C(=O)OC(C)(C)C 2287705719 IOVVFVZUBXPLBQ-FQEVSTJZSA-N 443.357 5.285 30 10 IKEE CCN=c1ccc(Br)cc(C(=O)C=Cc2c(Cl)cccc2Cl)c1O 2297464275 PNJIZAARSJFIJX-UHFFFAOYSA-N 427.125 5.278 30 10 IKEE CCCCCCCCCCCCOc1ccc(C=CC(=O)Oc2ccc(C=O)cc2)cc1 2297535640 WORGVSKHHGIMMC-UHFFFAOYSA-N 436.592 7.418 30 10 IKEE Cc1ccc(N2N=C(c3ccccc3)C(=NNc3cc(C(F)(F)F)ccc3F)C2=O)cc1 2297748619 SENPOKKZYQSXHZ-UHFFFAOYSA-N 440.400 5.372 30 10 IKEE CCOC(=O)[C@@H](Oc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O)c1ccccc1 2314437591 QNJSQLOKZOIRFR-SANMLTNESA-N 426.468 5.542 30 10 IKEE CCOc1cc(C=Nn2c(C)nnc2SCc2c(Cl)cccc2Cl)ccc1O 2318571912 VXULTQUGAUEBMA-UHFFFAOYSA-N 437.352 5.172 30 10 IKEE Cc1c(OCC(=O)OC(C)(C)C)ccc2c1OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2321734522 SDOGCTPOYHBTMQ-UHFFFAOYSA-N 442.511 5.999 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccccc1F)O3)CN(C13CC4CC(CC(C4)C1)C3)CO2 2322238708 SXMKADSPJABMFH-UHFFFAOYSA-N 445.534 5.871 30 10 IKEE O=C(C=Cc1ccccc1OCc1c(Cl)cccc1Cl)c1cccc([N+](=O)[O-])c1 2322307766 GKJFDOYIGUCAQG-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1 2322312216 UGGTZPYQDCKISV-UHFFFAOYSA-N 436.851 5.162 30 10 IKEE COc1ccccc1C=C1Oc2c(cc3c(c2C)OCN([C@H](C)c2ccccc2)C3)C1=O 2322371172 OOAWKHMISLMDBA-GOSISDBHSA-N 427.500 5.533 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(ccc(OC(=O)C=Cc4ccco4)c3C)C2=O)cc1 2323168649 QHFDDICKDBWBCB-UHFFFAOYSA-N 443.499 5.669 30 10 IKEE Cc1cc(OC(=O)C(c2ccccc2)c2ccccc2)cc2c1C(=O)C(=Cc1ccncc1)O2 2323208143 GDTVODLVXBICDZ-UHFFFAOYSA-N 447.490 5.744 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccccc1Cl)C2=O)c1ccc(C(F)(F)F)cc1 2323348227 YYQBZLKWPYIEDN-UHFFFAOYSA-N 444.792 6.194 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1C 2323580377 FMONNWNFTUNHDU-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(OC)c1OCc1cccc(C)c1 2323985433 XAUWYMODNWOAKA-UHFFFAOYSA-N 430.519 6.655 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)cc2)c1C 2324332202 SINDMLQDPDAFCP-UHFFFAOYSA-N 441.571 6.451 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2cccc(F)c2)C3=O)c1 2324455658 BPECHEXRLOMYBL-KRWDZBQOSA-N 431.463 5.465 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccccc2C)C3=O)c(C)c1 2324495321 YTACEFFANOTUBA-FQEVSTJZSA-N 441.527 5.942 30 10 IKEE C[C@H](Oc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O)C(=O)Nc1ccc(Cl)cc1 2324610111 QQSFYZIQZGQZFW-KRWDZBQOSA-N 445.902 5.918 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCCOc4ccc(C(C)(C)C)cc4)ccc3C2=O)cc1 2324685748 LVQJUSXUPGSVLM-UHFFFAOYSA-N 442.555 6.621 30 10 IKEE Cc1c(OCCOc2ccc(C(C)(C)C)cc2)ccc2c1OC(=Cc1ccccc1)C2=O 2324690310 GBXPMUUWEMSOMV-UHFFFAOYSA-N 428.528 6.367 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2OC)cc(Br)c1OCC 2324706651 PETQLTPTPPUVRF-UHFFFAOYSA-N 439.733 5.805 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc5ccccc5c4)ccc3C2=O)o1 2324959049 PWEQRUUBMASFFB-UHFFFAOYSA-N 425.440 5.375 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1ccccc1)C2=O)Nc1c(Cl)cccc1Cl 2325129271 GQFYFGWFRXMKHS-UHFFFAOYSA-N 440.282 5.627 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc(OCCc3ccc(OC)cc3)c2C)C1=O 2325631668 CFCPRDRMMYZWCW-UHFFFAOYSA-N 430.500 5.640 30 10 IKEE O=C(C=Cc1cccc(OC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)c1)c1ccccc1Cl 2325718012 LKCDMQORAVRLCO-LEWJYISDSA-N 437.322 6.599 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)c1 2325740869 YQTWOZOENPPHCC-UHFFFAOYSA-N 431.463 5.385 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2cccc(OC(=O)c3ccc(-n4cccc4)cc3)c2)c1C 2325756873 WPWQBTWMJNIQDX-UHFFFAOYSA-N 449.550 6.826 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cccc(OC(=O)CCOc2ccccc2)c1 2325757766 OTSQRLHHQRAKCZ-UHFFFAOYSA-N 430.500 5.583 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2cccc(OC(=O)c3cccc(C)c3)c2)c1 2325758267 MDEYZAKKBLTTQB-UHFFFAOYSA-N 430.500 5.908 30 10 IKEE CCSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1ccc(Cl)cc1 2325940963 VJECKNUMVGPWLT-UHFFFAOYSA-N 435.778 5.279 30 10 IKEE Cc1cccc(CSc2nncn2N=Cc2cccc(OCc3ccc(Cl)cc3)c2)c1 2326369372 LYOPKEOJEJPEJE-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE CCCCOc1cccc(C=Nn2c(CC)nnc2SCc2cccc(Cl)c2)c1 2326468030 CUZZFRNGMVDNHA-UHFFFAOYSA-N 428.989 5.847 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1N=Cc1c(O)ccc2ccccc12 2326550079 RHBGIDUHJJKXFC-UHFFFAOYSA-N 436.968 5.917 30 10 IKEE CCCOc1ccc(C=Nn2c(Cc3ccc(OCC)cc3)nnc2SCCC)cc1 2328568874 ZYBFURXPOJUMJI-UHFFFAOYSA-N 438.597 5.441 30 10 IKEE Cc1ccccc1C=Nn1c(Cc2ccccc2F)nnc1SCCc1ccccc1 2329750370 BEFFGDADJKLJET-UHFFFAOYSA-N 430.552 5.533 30 10 IKEE Fc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccc(F)cc2)cc1 2330233077 VSPJYGIGQZSYQZ-UHFFFAOYSA-N 426.536 5.854 30 10 IKEE O=C(Cc1cccs1)Oc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1 2330881421 RMGIUSLFEKPLGL-UHFFFAOYSA-N 427.319 5.555 30 10 IKEE Fc1ccccc1C=Nn1c(SCc2c(F)cccc2Cl)nnc1[C@@H]1CCCO1 2331016358 YHHJOWPDLHTWEI-SFHVURJKSA-N 434.899 5.236 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCCC3)n2N=Cc2ccc(Cl)cc2)c1 2331072019 DVJFUNVMCJMKAU-UHFFFAOYSA-N 425.001 6.380 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)Cc1cccs1 2331081709 HHSPWTXWVGWSOB-UHFFFAOYSA-N 448.874 5.733 30 10 IKEE Fc1ccc(CSc2nnc(C(F)(F)F)n2N=Cc2ccc(C(F)(F)F)cc2)cc1 2331115727 XMYQBNCZQNHPLF-UHFFFAOYSA-N 448.367 5.629 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1Br 2331224615 UAJXDMUBBRJXIQ-UHFFFAOYSA-N 443.381 6.838 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)c1cncc(C)c1 2331348534 FVEABBCLRWGBFE-UHFFFAOYSA-N 445.490 5.690 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cccs3)c(Cl)c2)cc1F 2331453740 DSJIXYCHYNMKHJ-UHFFFAOYSA-N 430.884 5.593 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)C(F)(F)F 2331770353 LTODKQQODLRIMF-UHFFFAOYSA-N 440.845 6.028 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@H](N)C#Cc2cccc(Br)c2)c(Cl)c1 2335927524 WITTYNNEDWBSKZ-GOSISDBHSA-N 435.749 5.501 30 10 IKEE CCCN[C@H](C#CC1(SC)CCC1)c1cc(Br)c(Br)s1 2361305045 GIEBEYNIJJUMDL-GFCCVEGCSA-N 437.266 5.603 30 10 IKEE CCCCCCCC[C@H](NCCC)c1sc(Cl)cc1I 2363956756 DNHXCMUUNYULSD-AWEZNQCLSA-N 427.823 6.797 30 10 IKEE C=CCN(CC[C@H](NCC)c1cc(C)cc(Br)c1OC)C(=O)OC(C)(C)C 2365246493 RCTSPZYSHSFMMF-SFHVURJKSA-N 441.410 5.230 30 10 IKEE Cc1cc(CNc2cccc(Cl)c2Br)ccc1B1OC(C)(C)C(C)(C)O1 2369614453 YTLDFQXYEMIWMK-UHFFFAOYSA-N 436.586 5.322 30 10 IKEE O=S(=O)(Nc1cc(C(F)(F)F)ccc1C(F)(F)F)c1ccccc1C(F)(F)F 3337349 VIXJPSZTRQLLKH-UHFFFAOYSA-N 437.283 5.544 30 10 IKEE Cc1cc(/C=N/c2ccc(O)c(-c3nc4ccccc4[nH]3)c2)c(O)c(Br)c1C 20075006 MAUCLLMUUZPNGC-BHGWPJFGSA-N 436.309 5.771 30 10 IKEE CC(C)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)cc1 21220422 UAGHGKPANJNQKU-RBTNQOKQSA-N 426.535 6.929 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccncc2)cc1 21224310 XGAHVNQWMLXCDN-HRFSGMKKSA-N 425.532 5.850 30 10 IKEE COc1cccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(C(C)(C)C)cc2)C3)c1OC 21251338 MOHWLUOJNXNJRR-YLJYHZDGSA-N 433.548 5.006 30 10 IKEE C[C@H](Nc1cccc(OCc2ccccn2)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 30453052 MWPILVKPFHZWPM-KRWDZBQOSA-N 446.576 5.302 30 10 IKEE O=C(C[C@@H]1S/C(=N/N=C/c2c3ccccc3cc3ccccc23)NC1=O)c1ccccc1 33810813 VMGNTEMQXNYTJR-RLWVUDJFSA-N 437.524 5.188 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2Cl)S/C(=N/c2cccnc2)N1C1CCCCC1 39863154 BLXMBQZPVJXRKY-JDVYHMGTSA-N 432.376 6.325 30 10 IKEE C=CCn1c(CCCCCNC(=O)Cc2ccc(-c3ccccc3)cc2)nc2ccccc21 40222415 IHAZRAHUDOVFDD-UHFFFAOYSA-N 437.587 5.961 30 10 IKEE CCOC(=O)/C(=N/Nc1ccc(C)cc1)Sc1nc2ccccc2n1-c1ccccc1 59121526 GAPMVWWWPHELKZ-QYQHSDTDSA-N 430.533 5.415 30 10 IKEE C=CCc1c(OCc2ccccc2)c(Br)cc2c1[C@H](CCNC(=O)CC)CC2 65734139 DVFZQAWYEJXGJV-SFHVURJKSA-N 442.397 5.703 30 10 IKEE in-vitro CCCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccc(C)cc1C 100461792 TVYZOSPEHMTOAN-UHFFFAOYSA-N 443.760 10.064 30 10 IKEE C=CCc1ccccc1OCc1nc2ccccc2n1CCCCCCCCCCCC 101261898 WPMPSJJKKWFZLU-UHFFFAOYSA-N 432.652 8.265 30 10 IKEE CCCCCCCCCCCn1c([C@H](C)NC(=O)COc2ccccc2)nc2ccccc21 102128216 WNPDSNFCAWDVCN-QHCPKHFHSA-N 449.639 6.823 30 10 IKEE COc1cc(OC)c(OC)cc1/C=C1/Oc2cc(OCc3ccc(F)cc3)ccc2C1=O 103019048 UUHIEPDWWKMOLD-BHGWPJFGSA-N 436.435 5.047 30 10 IKEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(Cl)cc2Cl)cc1 103090867 ORDFAXRQDNMFJA-GOBJLOIFSA-N 442.298 5.517 30 10 IKEE Cc1c(Cl)cccc1N/C=C1\C(=O)c2sccc2N(Cc2ccccc2)S1(=O)=O 105336074 LSPXRAHSWSJAFG-XDHOZWIPSA-N 444.965 5.196 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COCc1ccccc1 118856473 WKTSNDMBJVSMHE-MHZLTWQESA-N 448.688 7.369 30 10 IKEE N#Cc1ccc(Cl)cc1OCC(=O)c1cc(Br)sc1Br 129345415 UYGWDJYQBWUIBB-UHFFFAOYSA-N 435.524 5.060 30 10 IKEE CCCCCCCC/C=C\CCCCCCCCCCCC(=O)NCc1ccccc1 142711513 DJAHJLPTHLWQBP-KTKRTIGZSA-N 427.717 8.901 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1OC 169886886 JDZYRFSYPOXJLK-LYBHJNIJSA-N 432.586 5.137 30 10 IKEE CCCN1C(=S)N[C@@H](c2cccc(OCc3ccc(Cl)cc3)c2)C(C(C)=O)=C1C 169930117 MJNLVATVKDFDPE-QFIPXVFZSA-N 428.985 5.423 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2cccc(C)c2)cc1 169969577 QFUNTFKLKLFPTI-OAQYLSRUSA-N 448.544 5.250 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccc(F)cc2F)c1 169971229 HEFPTACQPDQHLS-HSZRJFAPSA-N 433.454 5.673 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@H]2c2cccs2)c1 169981886 JFDYQKQOGNHECR-JOCHJYFZSA-N 449.528 5.247 30 10 IKEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2)cc1 170055652 WXORFELJVMVGOX-QHCPKHFHSA-N 431.463 5.003 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2cccc(O)c2)cc1 170079476 AXWBWIXTDIKOTR-DEOSSOPVSA-N 427.500 5.607 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2cccc(O)c2)cc1C 170080875 QDDICFVMGLCODO-RUZDIDTESA-N 427.500 5.111 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cn(C)c3ccccc23)cc1C 170085681 SHJLOMUIGCQKQJ-DEOSSOPVSA-N 428.532 5.316 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)o1 170101770 AKOMJGRKRPTRPP-FQEVSTJZSA-N 442.298 5.986 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2sccc2C)s1 170107170 VOWOZJLMKDRZJC-INIZCTEOSA-N 444.965 5.566 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccccc1OC(C)C 170151017 AUANQUCLCHMAHP-MZNJEOGPSA-N 449.547 5.176 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2ccccc2OC(C)C)cc1 170151294 HQLZWKHUQKVKQQ-QHCPKHFHSA-N 437.536 5.251 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccccn1)c1cccc2ccccc12 170168051 HBUCGLOOQWKVEY-JOCHJYFZSA-N 426.497 5.075 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2ccccc2)cc1 170221453 JUXRCTUTPODGMH-XMMPIXPASA-N 443.499 5.267 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1ccccc1)c1cccc2ccccc12 170229146 HUAYTCUPGVLGIO-DEOSSOPVSA-N 441.433 5.901 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@H]1c1ccccc1F 170253321 CCFRWEVQVYFQRQ-JOCHJYFZSA-N 425.500 5.301 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1ccccc1C 170272974 UCVMFWAFQDPYPT-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc3ccccc23)[C@H]1c1ccco1 170287450 BXPVTEAKWRJEKN-QHCPKHFHSA-N 443.430 5.363 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccc(C)o2)ccc1Cl 170300240 MURBGYQZTOAXSU-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2cccc(OCCC)c2)c1 170323514 GXNVUEOSMNGJNJ-QHCPKHFHSA-N 437.536 5.253 30 10 IKEE CC(=O)Oc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(C)cc(C)c2)c1 170407801 TVMCLTAVZAVLCE-DEOSSOPVSA-N 441.483 5.012 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)C)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 170456504 BAYIRLWYWRFWHZ-DEOSSOPVSA-N 427.500 5.912 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@H]2c2ccc(OC(C)C)cc2)c1 170472641 HVTQYEZURKRQLU-XMMPIXPASA-N 437.536 5.388 30 10 IKEE N#Cc1ccc(Br)cc1Nc1ccc(I)cc1Cl 232150864 HDKFKZZTZBWHCH-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE CCCCCCCOc1ccc(C=c2sc3nc(/C=C\c4ccccc4)nn3c2=O)cc1 254769402 MQKSSKISGXYPIP-NBRNDHJLSA-N 445.588 5.218 30 10 IKEE CCN1/C(=C2/SC(=Nc3ccccc3)N(c3ccc(C)cc3)C2=O)Sc2ccccc21 254846150 KFFIOYGIJRAKFE-VUQCETKJSA-N 443.597 6.564 30 10 IKEE O=C1/C(=C/c2cccc(O)c2)SC(=Nc2ccccc2)N1CCc1c[nH]c2ccccc12 254868221 QLBBFNNDICRPKB-VYYDMKJGSA-N 439.540 5.720 30 10 IKEE CN(C)c1ccc([C@@H]2C(c3cccc4ccccc34)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526492621 YHVGHVXMCYOUIT-HHHXNRCGSA-N 445.522 5.835 30 10 IKEE CC(C)COc1ccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526607383 PUIHWNUQOTUCMV-RUZDIDTESA-N 442.490 5.789 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)cc2F)cc1 526710931 VHPACFAOCRDXRY-QHCPKHFHSA-N 449.453 5.537 30 10 IKEE CCN(Cc1ccccc1)c1ccc(/C=N\n2cnnc2SCc2ccccc2)cc1 526800959 VQQKETVUISUGRG-PKAZHMFMSA-N 427.577 5.479 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1/N=C\c1c(C)n(CC)c2ccccc12 526802890 NDKBNODBMSJAAE-YSMPRRRNSA-N 435.572 5.827 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1c(O)ccc2ccccc12 526811390 JGHIZRIDLHIIMZ-YUMHPJSZSA-N 444.604 6.271 30 10 IKEE FC(F)(F)c1ccccc1/C=N\n1cnnc1SCc1c(Cl)cccc1Cl 526815196 YAGUQFSMDRVOCT-GYRAYZOKSA-N 431.270 5.778 30 10 IKEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1ccc(Cl)c(Cl)c1 526815247 VIGWBYZQRCIZQQ-UYOCIXKTSA-N 446.190 6.375 30 10 IKEE CCc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccc(OCC(C)C)cc1 526816831 OBWXJUXBJKPFHC-CFRMEGHHSA-N 428.989 5.703 30 10 IKEE Cc1cccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2cc(C)ccc2C)c1 526819016 LUPDYZRPYSQSPB-VEILYXNESA-N 440.616 6.163 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1cccc(C(F)(F)F)c1 526819108 PBKJMPGBNWSUML-ZMFRSBBQSA-N 432.515 6.041 30 10 IKEE CC(C)(C)c1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)Cc2cccc(C#N)c2)cc1 586143110 SQTGCPJTMYPAJE-UHFFFAOYSA-N 436.552 5.386 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@H](C#N)c1cc(Br)ccc1F 698849008 BELOWEZNYYSZJB-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)C1 724028731 NLNPUYIDEKOUGL-WAIKUNEKSA-N 449.979 5.811 30 10 IKEE C=CCn1c(-c2ccccc2OC)nn(CN(Cc2ccccc2)CC(F)F)c1=S 743397055 HSWYEIONQDOPOI-UHFFFAOYSA-N 430.524 5.000 30 10 IKEE CC(C)(C)c1cc[n+](/C(C(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)=C(/O)c2ccc(C#N)cc2)cc1 762442282 ZMOIVPUHRNMILL-RCZSKKKRSA-O 432.613 5.133 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=Nc1ccccc1 1083912455 NJFLXUQGAJJPRF-IRZHRRCCSA-N 431.473 5.645 30 10 IKEE Cc1nnc([C@@H](C)Sc2n[nH]c(NN=Cc3c4ccccc4cc4ccccc34)n2)o1 1084394264 QTSKCFJPYZYNOG-CYBMUJFWSA-N 429.509 5.102 30 10 IKEE Clc1cc(N=C/C=C\Nc2ccc(Br)c(Cl)c2)ccc1Br 1088648209 QSEYLKFXTAOGEL-FXJIBCQOSA-N 448.973 6.847 30 10 IKEE C=C(Cn1c([C@H](C)CC)nnc1N(CC)Cc1nc(O)c2sccc2n1)c1ccccc1 1690321918 ONIFEGCWSYKRSK-MRXNPFEDSA-N 448.596 5.242 30 10 IKEE Cc1c(N=Nc2ccc(N=Nc3ccccc3)cc2)c(O)n(C[C@H]2CCCO2)c(=O)c1C#N 1772741165 XINNYRWHYYAPRU-HXUWFJFHSA-N 442.479 5.744 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)c1ccc2nc(CC)[nH]c2c1 1860957595 UCUCQLMQSPSEEO-OAQYLSRUSA-N 428.621 5.281 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccccc1C(=O)O 1862380409 BPTMFZNTBZOJBN-SFHVURJKSA-N 448.302 5.070 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862412850 ORLABBZZNVDINM-HSZRJFAPSA-N 437.486 5.742 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(F)cc1 1862413556 GJHSWNBZGZZLKB-PGRDOPGGSA-N 445.481 6.041 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(OCCCC)c(OC)c1 1862499876 RXWLBQLIMBNXKN-DEOSSOPVSA-N 449.547 5.255 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1cccc(Cl)c1 1862527500 ZKVBWEPZIPKZOS-KRWDZBQOSA-N 434.717 5.091 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccc(OC)cc2)cc1 1862535224 CCOKSGUMEVJSKF-IQGLISFBSA-N 441.527 5.597 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCc2ccc(Cl)cc2)cc1 1862555574 XMLIXLQAUZFYKQ-QHCPKHFHSA-N 446.934 5.052 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CCCCCO)c1 1862580411 JDUVUQJJDXQVJC-HXUWFJFHSA-N 448.346 5.043 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(O)cc2)cc1 1862614147 YYPBSOBSJCEYRU-QFIPXVFZSA-N 431.488 5.061 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CCCC2)cc1O 1862666062 USWXBGGECZVNIP-HSZRJFAPSA-N 435.520 5.045 30 10 IKEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862668270 VDGWIBMSBUUFMR-FQEVSTJZSA-N 448.346 5.342 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccc(F)cc2)c1 1862676654 OBVBGPMZQQLMMO-HSZRJFAPSA-N 449.453 5.142 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccccc2F)cc1 1862687897 PQCKTRWIHNMPNU-HSZRJFAPSA-N 437.511 5.526 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2ccccc2)cc1 1862699593 WPUVCBMQZWNONC-IQGLISFBSA-N 441.527 5.597 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccc1[N+](=O)[O-] 1862717732 LBSCQMGAQCTUAY-JOCHJYFZSA-N 430.460 5.126 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(N(C)C)cc2)=C(c2ccc(F)cc2)C1=O 1863141860 LAAQEOPZBMVRCJ-UHFFFAOYSA-N 437.559 5.444 30 10 IKEE CCOc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(C3CCCCCCC3)C2=O)cc1 1863210565 DGBAFYCQLNQGHG-UHFFFAOYSA-N 443.547 5.262 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCCC)=C(c2cccc3ccccc23)C1=O 1863583389 XIYLNSKTEOYANA-UHFFFAOYSA-N 448.651 6.840 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2OC)C(=O)N(Cc2ccco2)C1=O 1863760877 UACYWCFJLAIIMP-UHFFFAOYSA-N 438.568 5.299 30 10 IKEE Cc1ccc(-c2nc(Nc3ccc(C(=O)Nc4ccccc4C#N)cc3)sc2C)cc1C 1865783245 BPAAYLPJXSIFSE-UHFFFAOYSA-N 438.556 6.603 30 10 IKEE CC(C)c1nc(Nc2ccccc2C#N)cc(N2CCC[C@H]2c2nc3ccccc3s2)n1 1868237904 GYQJQFVOWBDGLF-FQEVSTJZSA-N 440.576 6.166 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](NC(=O)[C@@H](c1ccc(OC)cc1)C1CCCC1)c1ccccc1 1868884067 CNYPCDNQRIZQDX-CLJLJLNGSA-N 446.591 5.027 30 10 IKEE C=CCN(CC=C)c1cc(N(C)c2ccc(OC)c(OC)c2)nc(-c2ccccc2C)n1 1869152639 IETLJYXPXOBABC-UHFFFAOYSA-N 430.552 5.416 30 10 IKEE CC(C)c1cc(C(C)C)cc(-n2nnc(C#N)c2NC(=O)c2ccccc2-c2ccccc2)c1 1870146749 GQBWVTSSWPPEBW-UHFFFAOYSA-N 449.558 6.305 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)NC)c(=O)cc1CSc1ccccc1 1870304140 CACJBYQQWGKFAE-UHFFFAOYSA-N 444.641 5.406 30 10 IKEE CCCCCCCOc1cn(CCc2ccc(OC)cc2)c(CN(C)CCCC)cc1=O 1870411224 YOIFGZXBBNWADZ-UHFFFAOYSA-N 442.644 5.681 30 10 IKEE CCCCCCCOc1cn(CCCCC)c(CNc2cccc(NC(C)=O)c2)cc1=O 1870837814 ZNDHAGIYOGTWJX-UHFFFAOYSA-N 441.616 5.958 30 10 IKEE C=CCn1cc(OCC(=O)Nc2ccc([C@H](C)CC)cc2)c(=O)cc1CNc1ccccc1 1871107201 NTFOOJZCZRJXSL-HXUWFJFHSA-N 445.563 5.177 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)cc2Cl)c(=O)cc1CNc1cccc(OC)c1 1871249106 MBQYYFCRXMPWLG-UHFFFAOYSA-N 445.346 5.541 30 10 IKEE Cc1c(OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)ccc2c1O/C(=C\c1ccccc1F)C2=O 1871377433 KYCCJAFJBZZGQG-WSHPORRNSA-N 445.402 5.277 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O)/C(Br)=C/c1ccccc1 1871378544 RTYWWVGMJQGEDM-GUQQWVPNSA-N 437.245 5.237 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)c1 1871387358 QUQDMIZMVDFSCX-XKZIYDEJSA-N 445.427 5.137 30 10 IKEE CCCOc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(OC)cc2)C3=O)c1 1871387906 PROHFZJCANPHHZ-OYKKKHCWSA-N 444.483 5.628 30 10 IKEE Cc1cc(O[C@H](C)C(=O)Nc2ccccc2)cc2c1C(=O)/C(=C/c1ccccc1Cl)O2 1871404024 GSYLDYSGDOWVEB-NXUSMQHESA-N 433.891 5.671 30 10 IKEE CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)o2)C3=O)c1 1871426163 MRLVJDJXOZDBAL-SUVVMJBMSA-N 445.471 5.121 30 10 IKEE Cc1c(Cl)cccc1NC(=O)COc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 1871427313 YAXLGIAXRXMBOI-ZISNKBHRSA-N 445.902 5.838 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc(OCCc3ccc(OC)cc3)c2C)C1=O 1871447699 CFCPRDRMMYZWCW-UQQQWYQISA-N 430.500 5.640 30 10 IKEE CCCCCCCCN=c1nc(N2CCc3ccccc3C2)[nH]c(=Nc2ccccc2C)[nH]1 1871479872 IXCYFDSTBXQHPN-UHFFFAOYSA-N 444.627 5.103 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H](C)CC)S(=O)(=O)CCCC 1871799454 VHYSWQMZRSKISF-HNAYVOBHSA-N 449.444 5.355 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc1OC 1872776779 XHRGGGPKIXQVSE-BOQJPMNSSA-N 446.572 6.230 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@H](C#N)C(=O)c3ccc4cc[nH]c4c3)n2)c1 1872780172 BUSNYIAKZZKSIM-LJQANCHMSA-N 431.517 5.579 30 10 IKEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccc4ccccc4c3)n2)cc1C 1872781996 AQVISNDOMGRCDX-DEOSSOPVSA-N 440.568 6.616 30 10 IKEE COc1cc(OC)c(-c2csc([C@@H](C#N)C(=O)Cc3ccc(F)cc3F)n2)cc1Cl 1872783442 ZWLHZXDTTNGDJG-AWEZNQCLSA-N 448.878 5.178 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)Cc3c[nH]c4ccccc34)n2)c(OCC)c1 1872783977 MRAFMWAZYBRQFP-HXUWFJFHSA-N 445.544 5.508 30 10 IKEE C=CCc1ccccc1OCc1cccc(C(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)c1 1872834438 WVSNXMOXZLLZQH-IBGZPJMESA-N 431.532 5.502 30 10 IKEE CCCCCCCCNC1=C(c2cc(F)c(F)cc2F)C(=O)N(Cc2ccccc2)C1=O 1873063754 NCAIVAWFOMSHNW-UHFFFAOYSA-N 444.497 5.334 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCC2=CCCCC2)=C(c2cccs2)C1=O 1873155915 MIISJCDXDNVIAS-UHFFFAOYSA-N 442.669 6.449 30 10 IKEE CCOc1cc(/C=N/Nc2oc([C@@H]3C[C@H]3c3ccccc3)nc2C#N)ccc1OC(C)C 1873471276 YLVTUHITVZEMHW-VJCCSRPRSA-N 430.508 5.449 30 10 IKEE Cc1ccc2[nH]c(C(=O)O)c(/C=N/n3c(SCc4ccccc4C)nnc3C(C)C)c2c1 1873505125 BQAHIUPVHNAJSP-BRJLIKDPSA-N 447.564 5.372 30 10 IKEE C=CCn1c(C(=O)N(CCCC)CCCCCC)cc2c(N(CC)CCCC)ncnc21 1873560741 LEUMWGOXTNIXKX-UHFFFAOYSA-N 441.664 6.066 30 10 IKEE CCCSc1nnc(CCc2ccc(OCC)c(OC)c2)n1/N=C/c1ccc(C)cc1 1874202107 LGYISLXSXMLXHR-KOEQRZSOSA-N 438.597 5.163 30 10 IKEE Cc1ccccc1OCCCc1nnc(SCCc2ccccc2)n1/N=C/c1ccco1 1874250096 UJGNZEDWGGKWHR-LGUFXXKBSA-N 446.576 5.408 30 10 IKEE CCSc1nnc(Cc2ccc(OC)cc2)n1/N=C/c1c(OC)ccc2ccccc12 1874350203 ZLTMLPPSGOOWMR-PCLIKHOPSA-N 432.549 5.034 30 10 IKEE Cc1ccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccccc2Cl)cc1 1874405090 FZPULVDWBPQAIQ-WGOQTCKBSA-N 439.028 6.537 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1c[nH]c2ccccc12 1874440872 XMTUJMHLIJVDHB-VULFUBBASA-N 438.000 6.176 30 10 IKEE Cc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SCC(=O)Nc2ccc(C)cc2C)c1 1874441009 DTCDNUYBTXUWQJ-CVKSISIWSA-N 449.624 5.405 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCc3ccccc3)nnc2C2CCCC2)cc1 1874455051 YMLSEGUJKQLOSD-NLRVBDNBSA-N 433.625 5.956 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCc3ccccc3C)nnc2-c2ccco2)cc1 1874464297 BMMZDMNGELJVAJ-YZSQISJMSA-N 446.576 6.200 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccco2)cc1 1874466402 HVRMKPSDADFBAA-KOEQRZSOSA-N 432.549 5.892 30 10 IKEE COc1cccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C2CCC2)c1 1874498417 HQPUWPMFOMJWHK-WYMPLXKRSA-N 430.936 5.521 30 10 IKEE CCCCOc1ccc(/C=N/n2c(S)nnc2COc2ccc(Cl)c(C)c2)cc1 1874568315 RDYKIKWSDPXGMR-YDZHTSKRSA-N 430.961 5.169 30 10 IKEE CCc1ccc(C(=O)/C=C/c2c(OCc3cccc4ccccc34)ccc3ccccc23)cc1 1874572844 IQJFWYLFJFFQNU-FMQUCBEESA-N 442.558 8.031 30 10 IKEE Cc1cccc(COc2ccc(Br)cc2/C=C/C(=O)c2cc(C)ccc2C)c1 1874580427 NLMPNBSVBFMLKK-PKNBQFBNSA-N 435.361 6.849 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cc(Cl)ccc1OCc1ccc(C)cc1 1874588977 NMYXTSGRTRJVME-CSKARUKUSA-N 441.354 7.094 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)NC2CCCCC2)c2ccccc12 1874592432 YTMMHGPBGUAEPX-BMRADRMJSA-N 443.543 5.572 30 10 IKEE CC(C)COC(=O)COc1cccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)c1 1874598297 FIFJJZIOAXFBFN-LFIBNONCSA-N 430.500 5.953 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1OC 1874602748 CHCQXHQVHNWKAB-GXDHUFHOSA-N 449.591 5.498 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)c1 1874605491 RAIXETIIMHZFSW-RMKNXTFCSA-N 447.745 7.131 30 10 IKEE C=C(C)COc1c(Cl)cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc1OCC 1874633818 WFFMFWRXBMTBFS-BQYQJAHWSA-N 435.347 6.560 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3cc(C(C)(C)C)ccc3C)cc2)cc1 1874635351 MIQLWMPCRWTBKJ-GZTJUZNOSA-N 441.571 6.515 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)c1ccccc1 1874659695 FCYSXODNBINVOZ-HFZDXXHNSA-N 447.623 5.476 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1OC(=O)c1cnc(C)cn1 1874702574 XXRODANFGJJVLV-XVNBXDOJSA-N 443.286 5.216 30 10 IKEE CCCCC(=O)Oc1cc(/C=C/C(=O)c2cc(OCC)ccc2OCC)ccc1OC 1874713233 MJGYYASTUDULJR-JLHYYAGUSA-N 426.509 5.484 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1C 1874717681 ISRIXYLYNRVQCU-KPKJPENVSA-N 431.444 5.336 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)ccc1OC(=O)c1ccccc1C 1875109578 ULEZSYAASFANAI-JLHYYAGUSA-N 430.500 5.826 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Br)cc2)ccc1OC(=O)c1ccco1 1875110861 GNXUARDXPGHXQG-VZUCSPMQSA-N 441.277 5.556 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(Cl)cc2)c(Cl)c1)c1cccc(Cl)c1 1875121364 LWUZPIFNPNINHN-ONNFQVAWSA-N 431.702 6.762 30 10 IKEE O=C(CCOc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1 1875134587 ZUYFRBPQVMMFNS-MDWZMJQESA-N 441.310 6.264 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3OC)cc2OC)cc1 1875144196 JJSZUKCXAVZSMN-UKTHLTGXSA-N 430.500 5.690 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc(OC)c1OC(=O)c1cccnc1 1875153373 DCWUKTXMCOPNBS-CSKARUKUSA-N 447.462 5.082 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)c1sccc1C 1875157679 JZJFNZITXIWBAT-RUDMXATFSA-N 426.465 5.328 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC)c([N+](=O)[O-])c2)cc1 1875161473 RJWRIHILAVHRRW-OQLLNIDSSA-N 439.508 6.156 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OC(=O)CCc1ccccc1 1875164228 YSNBWVIPHCCNIS-MDWZMJQESA-N 436.454 5.798 30 10 IKEE CCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)cc1OC 1875168161 UREUGQWPDYYFMV-AATRIKPKSA-N 443.710 5.876 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1cccc(F)c1 1875169902 DRCPBSZMQPUZSD-PKNBQFBNSA-N 432.491 6.183 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3C)cc2)cc1Cl 1875173879 XUVXDSIVMPKFRE-JLHYYAGUSA-N 436.891 5.781 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)CCCSC 1875182433 CUYUILHGOZKSEV-CMDGGOBGSA-N 446.996 6.219 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N1CCc3ccccc3C1)n2CC 1875199837 QWGMGBWWRSWUFB-UHFFFAOYSA-N 433.600 5.422 30 10 IKEE C[C@@H]1CCCC[C@]1(C#N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875690504 VLVKZFGGKFCCHF-MXUAVAHLSA-N 441.571 6.598 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCC(C)(C)C[C@H]1CNC(=O)OC(C)(C)C 1927164037 BETLMENHQKUCPS-XFAGBWLFSA-N 437.625 5.635 30 10 IKEE CCCCCCCCC1(C(=O)O)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1951889689 BZMRAMPSXPDUPD-UHFFFAOYSA-N 435.564 6.073 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1C[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C1(C)C 2005340593 QQZUCULYYCVRHI-QMHKHESXSA-N 449.617 5.318 30 10 IKEE COCCN(C(=O)OC(C)(C)C)[C@]1(C#N)CN(Cc2ccccc2)C2(CCCCCC2)C1 2038911908 GFACEEPPVCTJDW-AREMUKBSSA-N 441.616 5.131 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1N(C(=O)OC(C)(C)C)CCC12CCCC2 2058786599 MYNCMBCCRUWOTK-ZEQRLZLVSA-N 442.644 5.697 30 10 IKEE C=C([C@@H](NCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(F)(F)F 2071266696 HPRUPUFEKKINQK-RUZDIDTESA-N 441.493 6.614 30 10 IKEE C#CCC[C@@H](NCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071349236 MLNGVQMPZGBJPZ-LEAFIULHSA-N 429.560 5.270 30 10 IKEE CC[C@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)(F)F)c(N)c1Br 2079848991 QIQQZOZBQKDOPK-SECBINFHSA-N 434.153 5.404 30 10 IKEE CC(C)c1nn([C@@H](c2ccc(C(F)(F)F)cc2)C2CC2)c(Br)c1C=NO 2079849076 RNDOVIHAUGIZGC-MRXNPFEDSA-N 430.268 5.595 30 10 IKEE CC(C)(C)[C@H](c1ccc(C(F)(F)F)cc1)n1nc(C2CC2)c(C=NO)c1Br 2079855873 ODDCPXWCLGYBJC-INIZCTEOSA-N 444.295 5.985 30 10 IKEE CC[C@H](c1ccc(C2CCC2)cc1)n1nc(C(C)C)c(C#N)c1I 2079929552 WMMOJLZHBNPDNV-GOSISDBHSA-N 433.337 5.750 30 10 IKEE Cc1ccc([C@H](C(C)C)n2nc(C3(C)CC3)c(C=NO)c2Br)c(F)c1F 2079934329 SWDAGSVMNJCQSX-INIZCTEOSA-N 426.305 5.337 30 10 IKEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cccc(Br)c1Cl 2081393192 VSFJWUQOFCMDSH-WBVHZDCISA-N 429.786 5.060 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCC[C@H]2CSC[C@H]21 2087834030 OOKKBIPOTZNISV-NQYLQCIDSA-N 437.403 5.616 30 10 IKEE C=CCC[C@@H](C)[C@@H](NCCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2102113010 WRVYAESNHXZJDP-DNVCBOLYSA-N 425.411 6.439 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(Cl)ccc(Br)c1F 2122139701 LFTJWRWHEDYLAZ-YOEHRIQHSA-N 447.776 5.199 30 10 IKEE Cc1ccc(C#N)cc1NCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134727720 KNXPRWAQZWCDSW-UHFFFAOYSA-N 434.539 6.637 30 10 IKEE CC(C)(C)OC(=O)N[C@H](CCNc1cc(Br)ccc1C#N)c1ccccc1 2162416623 VXMDVVMWYQTAOM-GOSISDBHSA-N 430.346 5.389 30 10 IKEE C=C(Cl)C[C@H](NCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2221683224 WKYNWRLEFZHQGI-DLBZAZTESA-N 431.802 5.006 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC 2235730896 PITCJIJAZROPBH-DBVUQKKJSA-N 437.422 5.108 30 10 IKEE C=C(C)CCCC[C@@H](N)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2250180870 GECFLOONJNWSOQ-HSZRJFAPSA-N 429.649 5.400 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(C)c(Br)c1 2278359266 JXJULLDHYGRCBO-RBUKOAKNSA-N 425.411 5.658 30 10 IKEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)Nc1cccc(OCc2ccccc2)c1 2282694533 HQWWJCGNPDMNCC-UHFFFAOYSA-N 443.352 5.126 30 10 IKEE C=CC[C@@]1(COc2cc(F)c(Br)cc2N)CCCN(C(=O)OC(C)(C)C)C1 2287851721 DATKNEXSBYPLRP-HXUWFJFHSA-N 443.357 5.143 30 10 IKEE Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1Cl 2296125868 RGPZFPVPVVZFBS-OAQYLSRUSA-N 448.862 5.183 30 10 IKEE CCc1ccc(NC(=O)OC(C)(C)C)c([C@H](N)C#Cc2cccc(Br)c2)c1 2296215934 FTZVJCQFRCNLMS-LJQANCHMSA-N 429.358 5.410 30 10 IKEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc([C@H](O)C#Cc2cccc(Br)c2)cc1 2296218848 IXFBUMMAUYJQJO-FOIQADDNSA-N 430.342 5.120 30 10 IKEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@](C)(CC(C)C)NC(=O)OC(C)(C)C 2296283449 GZNFWVZRRQIOTA-UGKGYDQZSA-N 437.422 5.108 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)C(=C(O)c4ccccc4)[C@H]3c3cccs3)sc2c1 2296776281 AJLACHGHSQMVBT-HXUWFJFHSA-N 446.553 5.547 30 10 IKEE O=C(C=Cc1ccc(Cl)cc1Cl)c1ccc(OC(=O)c2ccccc2Cl)cc1 2296864859 GNQIEBDZKQFXEW-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1c(F)cccc1Cl)C2=O)OCc1ccccc1 2296865793 HSRAAYBBALNIEF-UHFFFAOYSA-N 438.838 5.218 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3c(ccc(OCc4ccc(F)cc4)c3C)C1=O)cn2C 2296871267 IEEHTOCTIXMTFH-UHFFFAOYSA-N 443.474 5.830 30 10 IKEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3nccs3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 2297747117 CLNFXIVJWWQZBD-FQEVSTJZSA-N 432.545 5.375 30 10 IKEE O=C1C(=Cc2ccc([N+](=O)[O-])cc2)Oc2cc(OCc3c(Cl)cccc3Cl)ccc21 2314437110 CSFWKWIIZSTCCC-UHFFFAOYSA-N 442.254 6.097 30 10 IKEE COc1cccc(C(C)=C2SC(=Nc3cccnc3Cl)N(C3CCCCC3)C2=O)c1 2314539928 FAEBGUVFHLFZEA-UHFFFAOYSA-N 441.984 6.070 30 10 IKEE C=CCN1C(=O)C(=C(C)c2ccc(Br)cc2)SC1=Nc1ccncc1Cl 2314542411 KWOANUDHWSAFDV-UHFFFAOYSA-N 448.773 5.678 30 10 IKEE CN1C(=O)C(=Cc2c(F)cccc2Cl)SC1=Nc1nc(-c2ccccc2)cs1 2314543570 HNZZOKKGLLUPLT-UHFFFAOYSA-N 429.929 5.836 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(F)cc1)O3)CN(Cc1ccc(Cl)cc1)CO2 2321957336 ZXQVIFYFTGURKR-UHFFFAOYSA-N 435.882 5.756 30 10 IKEE COc1ccc(C=Nn2c(S)nnc2[C@H](C)c2ccccc2)cc1OCc1ccccc1 2321962168 WPEZHCGOHFDONU-GOSISDBHSA-N 444.560 5.188 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccccc2OCc2nc(O)c3ccccc3n2)cc1 2322605088 IVSWPCGQJWJUCZ-UHFFFAOYSA-N 440.499 5.599 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccccc1OCC(=O)Nc1ccccc1C 2322845625 IKVLSFRMPDQZHS-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE COc1cccc2cc(C(=O)Oc3cc(C)c4c(c3)OC(=Cc3ccc(F)cc3)C4=O)oc12 2322860340 LZJWRURJXJPSAJ-UHFFFAOYSA-N 444.414 5.724 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2c(OCc3cccc(F)c3)ccc3ccccc23)cc1C 2322991813 OLKHQUGQJAJEPY-UHFFFAOYSA-N 440.514 7.079 30 10 IKEE CCc1ccc(NC(=O)COc2cccc(C=CC(=O)c3ccc(OC)c(C)c3)c2)cc1 2323081242 BQVZBOZGAXUECR-UHFFFAOYSA-N 429.516 5.480 30 10 IKEE O=C(C=Cc1ccc(OCCc2ccccc2)c([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 2323352336 OWVWBPTUCPWGMC-UHFFFAOYSA-N 449.506 6.779 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)cc([N+](=O)[O-])c1OCc1ccccc1 2323608526 XHEYXLFVBOOKEJ-UHFFFAOYSA-N 437.879 6.122 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 2323959730 RKTYTMZGNALFHG-UHFFFAOYSA-N 431.488 6.085 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OCC(=O)N(CC)CC 2324356139 HIPGPPRUSWYDNE-UHFFFAOYSA-N 437.580 5.462 30 10 IKEE COc1cccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccc(C)cc4C)ccc3C2=O)c1 2324494142 UINNNNNFIHJUFR-GOSISDBHSA-N 443.499 5.334 30 10 IKEE Cc1c(OCc2ccc(C(=O)OC(C)C)cc2)ccc2c1OC(=Cc1ccccc1)C2=O 2324606021 LJKKMIMLTAHEKI-UHFFFAOYSA-N 428.484 5.755 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCCOc4ccc(OC)cc4)ccc3C2=O)cc1 2324673027 NUVAWMYJJALEMR-UHFFFAOYSA-N 432.472 5.168 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4c(C)cccc4C)cc(C)c3C2=O)cc1 2325141987 KJVHTCDQQUMMMO-HXUWFJFHSA-N 441.527 5.942 30 10 IKEE CC(=O)Nc1ccc(C(=O)COc2cc(C)c3c(c2)OC(=Cc2ccc(C)cc2)C3=O)cc1 2325235109 PIHPCOCAAZTKBJ-UHFFFAOYSA-N 441.483 5.140 30 10 IKEE CCCCCOc1ccc(C=C(C(=O)Nc2cccc(C#N)c2)c2ccccc2)cc1OC 2325255095 ZCJQFIVWKVPZLN-UHFFFAOYSA-N 440.543 6.315 30 10 IKEE COc1ccc(CCOc2ccc3c(c2C)OC(=Cc2cc(OC)ccc2OC)C3=O)cc1 2325631484 DVLSEXJLQFUVFA-UHFFFAOYSA-N 446.499 5.259 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(Cl)c(Cl)c3)c2)c(C)c1 2325736163 AGDXLSOVIISROT-UHFFFAOYSA-N 425.311 6.726 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)CCCOc3cccc(C)c3)c2)cc1F 2325748849 SAAPEUUROOTHCB-UHFFFAOYSA-N 448.490 5.803 30 10 IKEE CCc1ccc(C(=O)Oc2cc(C=CC(=O)c3c(C)cc(C)cc3C)ccc2OC)cc1 2325764413 NJAGYCFKKJKNRB-UHFFFAOYSA-N 428.528 6.298 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1OC(=O)Cc1ccccc1 2325765018 LSHHPHZUVIFWCZ-UHFFFAOYSA-N 442.555 6.345 30 10 IKEE C=CCN(Cc1ccccc1)[C@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C12CCCCC2 2326264156 IIQNJPSJXIESCA-SANMLTNESA-N 442.600 5.232 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccccc3)n2N=Cc2ccccc2O)CC1 2328158141 MZMAPGQDXMGAHH-UHFFFAOYSA-N 448.636 6.622 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc(C(C)C)cc1 2329101093 SQRDWBKCISFPDM-UHFFFAOYSA-N 425.001 6.196 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3Cl)n2N=Cc2ccccn2)cc1C 2329430439 PDJIWMRHAJKUOU-UHFFFAOYSA-N 447.995 5.709 30 10 IKEE Cc1cccc(CSc2nnc([C@@H](C)c3ccccc3)n2N=Cc2ccc(Cl)cc2)c1 2330074598 USYKAWJUBLBSPU-IBGZPJMESA-N 447.007 6.566 30 10 IKEE CCc1ccc(C=Nn2c(SCc3ccccc3)nnc2[C@H](C)c2ccccc2)cc1 2330103889 PWKVNOPMXHGTHQ-HXUWFJFHSA-N 426.589 6.167 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2F)n1N=Cc1cccc(O)c1 2330108813 XSWLMHFXOCRJDE-QGZVFWFLSA-N 432.524 5.449 30 10 IKEE Cc1ccccc1CSc1nnc(CC2CCCCC2)n1N=Cc1c[nH]c2ccccc12 2330232779 VUJJUEBYOLEQKS-UHFFFAOYSA-N 443.620 6.365 30 10 IKEE CCc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2-c2cccs2)cc1 2330603888 OYDVEFUGFGTKRN-UHFFFAOYSA-N 439.009 6.397 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1 2330749800 IZWVWPZDBAUZTD-UHFFFAOYSA-N 449.890 5.855 30 10 IKEE Cc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCC(=O)Nc2cc(C)cc(C)c2)cc1 2330822267 PLYXGZDCXKZMRT-UHFFFAOYSA-N 449.624 5.405 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)ccc1OC(=O)Cc1ccc(C)c(C)c1 2330976956 MGZBIJLBKJPHKQ-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE Clc1cccc(C=Nn2c(SCc3cccc4ccccc34)nnc2[C@@H]2CCCO2)c1 2330977190 VUIQEQCTZUZWCP-QFIPXVFZSA-N 448.979 6.111 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2ccc(C)cc2)nnc1C1CCCC1 2331018449 UNWYBVLXKNIERD-UHFFFAOYSA-N 432.593 5.983 30 10 IKEE Cc1cccc(C=Nn2c(SCc3nc(O)c4ccccc4n3)nnc2C2CCCC2)c1 2331085454 NVPYHJSPUIYJIQ-UHFFFAOYSA-N 444.564 5.067 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OC(=O)c1ccc(Cl)cc1 2331101028 QIQXGUXCRJCTCK-UHFFFAOYSA-N 442.845 6.132 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(Cl)cc2)c(Cl)c1)c1ccc(Cl)cc1 2331142707 ZEZAGUVYJQCYLG-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE Cn1cccc1C=Nn1c(SCc2ccc(Cl)c(Cl)c2)nnc1C(F)(F)F 2331155033 LBQUHHBUEKTBES-UHFFFAOYSA-N 434.274 5.117 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)c(Cl)c3)cc2)c1 2331238917 DMWIWIABTPULHS-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE CCCCc1nnc(SCc2ccccc2C)n1N=Cc1cc(Cl)c(O)c(OC)c1 2331322471 BSPAYZGZPGGGLU-UHFFFAOYSA-N 444.988 5.471 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)[C@H](C)c2ccccc2)c(Cl)c1 2331358918 FELIEUUCXNDMAP-GOSISDBHSA-N 434.919 6.262 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)CCc1ccccc1C 2331449281 IUNMZQBAHHVEIL-UHFFFAOYSA-N 444.483 5.167 30 10 IKEE CSc1nnc(C2CCC2)n1N=Cc1c(OCc2ccccc2)ccc2ccccc12 2331478374 CSGRECDMMWBVLB-UHFFFAOYSA-N 428.561 5.882 30 10 IKEE C(=Nn1c(SCc2cccc3ccccc23)nnc1C1CCC1)c1c[nH]c2ccccc12 2331535461 HWMOKZRWRMJNGL-UHFFFAOYSA-N 437.572 6.355 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)ccc1OC(=O)C1CCCC1 2331758517 OGILOFBQCZYQEK-UHFFFAOYSA-N 442.939 6.047 30 10 IKEE C=CCOc1ccccc1C=C1C(=O)N(c2cccc(Cl)c2)N=C1c1ccc(OC)cc1 2332114272 KUZFXMKPJOOPKQ-UHFFFAOYSA-N 444.918 5.748 30 10 IKEE N#C[C@@H](C(=O)c1csc(Br)c1Br)c1ccc(Cl)c(F)c1 2362148091 XWJQDYVGXOUGNL-SSDOTTSWSA-N 437.515 5.556 30 10 IKEE Cc1cc(Br)c(Oc2c(F)cc(C#N)cc2F)cc1NC(=O)OC(C)(C)C 2370350708 FOKIDEIKCDHNMK-UHFFFAOYSA-N 439.256 6.047 30 10 IKEE Cc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(S[C@@H](C=O)c3ccccc3)[nH]2)cc1 1050728 WEBLCVSGDYAQTF-NRFANRHFSA-N 448.569 5.250 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@H]2/C=C/c1ccccc1 1409523 FOHXMBOUDUWYPM-SJFMBGHLSA-N 440.465 5.733 30 10 IKEE O=S(=O)(Nc1nccs1)c1ccc(/N=C/c2c3ccccc3cc3ccccc23)cc1 19945694 MUEKPDPCCIWOGJ-WGOQTCKBSA-N 443.553 6.001 30 10 IKEE COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cc(Cl)ccc1O 21227718 STDVKKGRSJIZSJ-QWXGXRTQSA-N 446.934 6.034 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc3ccccc23)cc1OC 21249078 NCCGTDDKPCXWDF-UGKGYDQZSA-N 441.527 5.251 30 10 IKEE O=C(/C=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccc(Br)cc1 33424098 PJKJCKCWVXOKPG-TWGQIWQCSA-N 432.657 6.167 30 10 IKEE O=C1/C(=C\c2ccc(Cl)cc2)CN(Cc2ccccc2)C/C1=C/c1ccc(Cl)cc1 33922072 OSUWILFLOHLUFU-VMTNTFKOSA-N 434.366 6.545 30 10 IKEE CCN1C/C(=C/c2cccc(Cl)c2Cl)C(=O)/C(=C\c2cccc(Cl)c2Cl)C1 34869213 WCOCFSZLWNCZDP-VULZFCBJSA-N 441.185 6.672 30 10 IKEE O=C(/C=C\c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc(Cl)c([N+](=O)[O-])c1 35363355 YNYGOQGWNKVQHV-OQYWKCLKSA-N 442.786 5.984 30 10 IKEE C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)nnc1C1CC1 36799980 JXUGSPOWRINCOO-SECBINFHSA-N 431.776 5.421 30 10 IKEE Cc1c(/N=N/c2cc(Cl)ccc2Cl)c(O)n([C@H](C)c2ccccc2)c(=O)c1C#N 39870570 CFCBDGVLDWNJMA-NKYKXMNPSA-N 427.291 6.066 30 10 IKEE C=CCc1ccccc1OCCCCn1c(Cc2ccc(OC)cc2)nc2ccccc21 40226189 MKKUXTCCXNKZTO-UHFFFAOYSA-N 426.560 6.223 30 10 IKEE O=C1CCCC2=C1[C@H](c1c[nH]c3ccccc13)n1nc(SCc3ccccc3F)nc1N2 54643140 VRCNZXHTZFMNPU-QFIPXVFZSA-N 445.523 5.213 30 10 IKEE Cc1ccc(NC(=O)CSc2nc3ccc(/N=C/c4ccc(F)cc4)cc3s2)c(C)c1 59502575 DHLMVOLRAPWLPH-LGJNPRDNSA-N 449.576 6.534 30 10 IKEE CC/N=C1/S/C(=C/c2c(OCc3ccccc3C#N)ccc3ccccc23)C(=O)N1CC 96471844 OUIYCYOKXUBCCD-FVGZADTASA-N 441.556 5.603 30 10 IKEE CCCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@H](C)C3 101140115 BORQBRXLVMHNDF-KRWDZBQOSA-N 426.651 6.635 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(N2CCCC[C@H]2CC)c1N 101516725 RMXSLZSCJBHODU-XMMPIXPASA-N 445.740 7.721 30 10 IKEE CCCCCCCCCCCn1c(CNC(=O)c2ccccc2Cl)nc2ccccc21 102217924 SWDHAMMDLJALEG-UHFFFAOYSA-N 440.031 7.151 30 10 IKEE CCCCCCCCCCOc1ccc(C2=N/C(=C/C=C/c3ccccc3)C(=O)O2)cc1 103299515 QUQXTDLJMPDNBJ-OFJVMFQISA-N 431.576 7.107 30 10 IKEE CCCC/N=C(/C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1NC(C)=O 105463945 MZSLLKDEBQZAIF-LGUFXXKBSA-N 439.865 5.545 30 10 IKEE C=CCn1c(-c2sc(NC(=O)c3ccccc3Oc3ccccc3)nc2C)n[nH]c1=S 111200874 YNNUAWPFNRIZCF-UHFFFAOYSA-N 449.561 5.603 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@H](c2cccc(OCc3ccc(F)cc3)c2)NC(=S)N1 169937978 MABSONAQOSCKGD-QHCPKHFHSA-N 432.520 5.080 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1ccccc1C 169946210 YJDLOZUFJZKQLV-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2ccc(N(C)C)cc2)c1 169952895 RNFWXCHAOQAZDP-VWLOTQADSA-N 440.543 5.461 30 10 IKEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@H]1c1cccs1)c1cccc(Cl)c1 169989873 JIVIKNZCXLECNI-SFHVURJKSA-N 435.892 5.061 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(O)c(Cl)c2)c(C)c1 170040624 ISDJEXZJZHCUGU-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccc(F)cc1)c1cc2ccccc2o1 170060975 VWSWNGHXUNHTIE-QFIPXVFZSA-N 449.384 5.633 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C[C@@H]2CCCO2)c1 170143416 ZAYIHYAWYJGCJG-OXJNMPFZSA-N 446.330 5.059 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2cccnc2)cc1 170185952 RIMPOLVWEJYKJH-VWLOTQADSA-N 434.495 5.580 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1cccnc1)c1cccc(Cl)c1 170188887 QKOHJPHREKZTII-LJQANCHMSA-N 425.271 5.171 30 10 IKEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)c(F)c4)[C@@H]3c3ccccc3)ccc2O1 170223218 GRVYRTVXLXAUDG-LFVRLGFBSA-N 447.437 5.071 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccccc2)c1 170234184 RUDHCYKFAJTREN-HSZRJFAPSA-N 431.463 5.003 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(O)c2)cc1C(C)C 170264276 WOQSMEGBCIKAGB-HSZRJFAPSA-N 435.520 5.045 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2ccccc2C)c1 170271605 ZLZJLDJJBNTGLJ-RUZDIDTESA-N 439.511 5.411 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2C)c1 170273991 MMFCLGKNVGRMHA-HSZRJFAPSA-N 431.488 5.155 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccco2)cc1C 170289566 VKOPYXXBISJPJY-HSZRJFAPSA-N 431.488 5.305 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccc(C)o2)cc1C 170300130 ZVEOJHHYFGHGRQ-HSZRJFAPSA-N 431.488 5.305 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(C)o2)cc1 170301436 HLIWDAGSVAPSOK-QHCPKHFHSA-N 447.487 5.168 30 10 IKEE Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]3c3ccc(N(C)C)cc3)sc2c1 170447101 LXTDWVYIKWYURI-HXUWFJFHSA-N 449.576 5.186 30 10 IKEE CC(C)Oc1ccc(N2C(=O)C(O)=C(C(=O)C(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 170469469 JMFFYDSTJKCDAG-HSZRJFAPSA-N 435.564 5.896 30 10 IKEE CC(=O)N(c1ccccc1)c1nc(/C=C\C(=O)Nc2cccc(OCCCC#N)c2)cs1 207277919 ZSEZJQGEZWGJJM-SEYXRHQNSA-N 446.532 5.162 30 10 IKEE C=C[C@@H]1c2ccccc2N(S(=O)(=O)c2ccc(C)cc2)[C@@H]1C(=O)c1ccc(Cl)cc1 248044129 VWMVDXOXCBVOSZ-OFNKIYASSA-N 437.948 5.378 30 10 IKEE COc1ccc(/C=C2\C[C@@H]3[C@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cc1 253534367 RZZSYQOCHYTRMK-QFXQJKNESA-N 448.603 6.152 30 10 IKEE CC(=NNC(=S)NC(C)(C)C)c1sc(-c2ncc(C(F)(F)F)cc2Cl)nc1C 254393295 DFVMWRWYXNWUGH-UHFFFAOYSA-N 449.955 5.172 30 10 IKEE Cc1ccccc1N=C1S/C(=C2\Sc3ccccc3N2C)C(=O)N1C1CCCCC1 254837110 YKANPUHHWKGAIN-SEYIQKDNSA-N 435.618 6.302 30 10 IKEE Cc1ccc(SC2=C(Nc3cccc(C#N)c3)C(=O)N(c3cc(F)ccc3F)C2=O)cc1 526663274 QRHQEZIEXIXNGV-UHFFFAOYSA-N 447.466 5.134 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Cl)cc2C)cc1 526710738 SPKSPAXFLVLWPE-HSZRJFAPSA-N 447.918 5.830 30 10 IKEE Cc1ccsc1/C=N\n1c(Cc2ccccc2)nnc1SCc1ccccc1Cl 526816398 AQPQZFMSPPSRTR-OYKKKHCWSA-N 439.009 6.067 30 10 IKEE CCOc1ccc(/C=N\n2c(C)nnc2SCc2c(F)cccc2Cl)c(OCC)c1 526816801 DDSJYXUKPQKXJU-MSXFZWOLSA-N 448.951 5.351 30 10 IKEE Cc1ccnc(Nc2cc(Nc3ccc(NC(=O)c4ccc(C#N)cc4)cc3)nc(C)n2)c1 585449989 GCZVXOVMMVWPTE-UHFFFAOYSA-N 435.491 5.100 30 10 IKEE N#Cc1cccc(C(=O)OC2CCC(NC(=O)/C=C/c3ccc(Cl)cc3Cl)CC2)c1 586498054 ZGROICPEYUAVKU-VZUCSPMQSA-N 443.330 5.163 30 10 IKEE CC(C)(C)OC(=O)N=C(NC(=O)OC(C)(C)C)N1CCc2c(ccc(Cl)c2Cl)C1 687751414 ZSRSUOQQOWHEQO-UHFFFAOYSA-N 444.359 5.167 30 10 IKEE C[C@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)Nc1ccc(Br)c(C#N)c1 690216405 IQEJYFFTJPJOTE-QAPCUYQASA-N 436.394 5.691 30 10 IKEE N#Cc1cc(F)c(NC[C@H]2CN(Cc3ccccc3)CC23CCC3)cc1Br 693754140 XSEATEMHWXACEJ-SFHVURJKSA-N 428.349 5.174 30 10 IKEE C[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)CCN1C(=O)OC(C)(C)C 698830201 IIUPRFSPYSKFNL-MWTRTKDXSA-N 433.524 5.249 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@H](C#N)c1ccc(Cl)cc1Br 698865319 CZLSJBGONRBLJF-MRXNPFEDSA-N 441.778 6.166 30 10 IKEE O=C1C=C(NCCCCNC2=CC(=O)C[C@@H](c3ccccc3)C2)C[C@H](c2ccccc2)C1 1088709290 JPPDHEABUZZDRS-ZEQRLZLVSA-N 428.576 5.007 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=Nc1cccc(C)n1 1772730941 HICWGGHPUALTMP-HOMYTQLHSA-N 434.477 5.182 30 10 IKEE O=C1/C(=C/c2ccccc2[N+](=O)[O-])SC(=Nc2cccnc2Cl)N1C1CCCCC1 1772731884 BGOBBQAXWCGHAP-SDWZUDADSA-N 442.928 5.580 30 10 IKEE C=CCOc1ccc(/C=C2\SC(=Nc3ccncc3Cl)N(c3ccccc3)C2=O)cc1 1772736399 KSDHBJFBDSGCBA-ZKNSXIRRSA-N 447.947 6.108 30 10 IKEE CCOc1ccc(-c2cc(C(=O)Nc3ccccc3C#N)nn2-c2ccc(Cl)cc2)cc1 1859407206 NXBRIUFVEPOJLS-UHFFFAOYSA-N 442.906 5.715 30 10 IKEE CCc1ccc(OCCCC(=O)Nc2oc3c(c2C#N)CCCC3)c(Br)c1 1859483237 XFGJRLVSUCOWMD-UHFFFAOYSA-N 431.330 5.153 30 10 IKEE CCCCCCCCNC(=O)[C@@H](NC(=O)c1ccccc1Br)[C@H](C)CC 1861025174 JGVHGJLGZCRFCT-APWZRJJASA-N 425.411 5.070 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccc(Cl)s1 1861741536 LHNCLUKEGNELHQ-GOSISDBHSA-N 438.996 5.358 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C2CCCC2)c1 1862385002 FSCWSEJKMAFRKB-FQEVSTJZSA-N 446.330 5.523 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862395727 XBNULOWNWPHSMA-VWLOTQADSA-N 444.575 6.135 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 1862397959 PHAHRWYHYXADLX-HXUWFJFHSA-N 431.454 5.646 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@H]1c1ccccc1F)c1cccc(Cl)c1 1862444035 WMCAGQZTPVVEIN-QFIPXVFZSA-N 441.930 6.170 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccccc1)c1c(F)cc(F)cc1F 1862455799 CMDUTDYRBZZPSQ-OAQYLSRUSA-N 429.438 5.405 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862468878 ZRLMQGASLIQKKQ-VLIAUNLRSA-N 442.353 5.388 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCC2)cc1 1862482488 OLCJKZIMWYIZJQ-DEOSSOPVSA-N 433.548 5.695 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2cccc(Br)c2)c1 1862496908 XDLNGFVICRQREX-FQEVSTJZSA-N 442.353 5.300 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccc(F)c2)ccc1F 1862502426 ZQYZNKLEJRDNHM-FQEVSTJZSA-N 425.456 5.113 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2c(F)cccc2Cl)ccc1F 1862505478 PASJHPBIXMFDED-FQEVSTJZSA-N 433.882 5.551 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1c(Cl)cccc1Cl 1862539682 VHCVYRXEXLYBGP-NRFANRHFSA-N 446.374 6.324 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc2cc[nH]c2c1 1862561266 RSPNYMDEMAUBNJ-UPCLLVRISA-N 437.499 5.090 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(N(CC)CC)cc1 1862564706 GPJAWJBYVQIPJF-DEOSSOPVSA-N 449.595 5.274 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc(O)c2)cc1 1862613628 LQHVKHWAMDGJHV-HSZRJFAPSA-N 433.548 5.601 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2cccs2)c1 1862659629 BKPWGUJXXLCMMC-QHCPKHFHSA-N 431.557 5.958 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2C(C)C)cc1 1862693507 MMLAWICUWTZFFW-QHCPKHFHSA-N 437.536 5.251 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3cccc4ccccc34)C2=O)cc1C 1862875120 XOACKAUSXHNFIG-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3c[nH]c4ccccc34)C2=O)c1 1863123630 YABSULGMYSRXQS-UHFFFAOYSA-N 432.483 5.053 30 10 IKEE CCCCCCCCN1C(=O)C(NCCc2cccs2)=C(c2cc(C)ccc2C)C1=O 1863742050 YZCHKRASUMZRSQ-UHFFFAOYSA-N 438.637 5.638 30 10 IKEE CCCCCCCCNC1=C(c2cccs2)C(=O)N(CCc2ccc(F)cc2)C1=O 1863796860 AFQPUTGWLKXUPR-UHFFFAOYSA-N 428.573 5.160 30 10 IKEE CC(C)(C)c1nc(Nc2ccc(C#N)cc2)cc(N2CC[C@H](c3ccc4c(c3)OCO4)C2)n1 1868355933 SCOIFJWYBWEPQR-IBGZPJMESA-N 441.535 5.112 30 10 IKEE Cc1ccc(Cl)cc1-n1nnc(C#N)c1NC(=O)[C@@H](Cc1ccccc1)c1ccccc1 1870148037 SEKQZIXSXGCLAI-NRFANRHFSA-N 441.922 5.066 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2F)c(CSc2ccccc2)cc1=O 1870259647 BORJUSLLNFORAS-UHFFFAOYSA-N 439.596 6.677 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(Cl)cc2Cl)cn1CC(C)C 1870345429 XFAOVIBXEANURE-UHFFFAOYSA-N 435.395 5.564 30 10 IKEE C=CCOc1cn(CCC2=CCCCC2)c(CN(CCCC)CCCCCC)cc1=O 1870387835 VMFYDTSMUOIBHL-UHFFFAOYSA-N 428.661 6.486 30 10 IKEE O=C1/C(=C/c2cccs2)Oc2c1ccc1c2CN(CCc2c[nH]c3ccccc23)CO1 1871345019 NWLFFRHOYKADJO-FMCGGJTJSA-N 428.513 5.240 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)CCc4ccc(C)cc4)c3C)C2=O)cc1 1871366712 NWWTZELKZIYKCM-JLPGSUDCSA-N 428.484 5.466 30 10 IKEE CCCCC1CCC(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(F)c2)C3=O)CC1 1871383589 UKPKBQHBFCMVFK-IWIPYMOSSA-N 436.523 6.652 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871389421 VCAZYJKFGIOLDU-XKZIYDEJSA-N 446.430 5.285 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCC(N4CCCCC4)CC3)C2=O)cc1 1871399001 ZEPUQDYNEYXWDQ-ITYLOYPMSA-N 446.591 5.021 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccccc2)C3=O)cc1Cl 1871401387 BRPVLDNWDGQCPL-ICODJCHTSA-N 447.918 5.979 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)Nc2cccc(Cl)c2C)cc2c1C(=O)/C(=C/c1ccccc1)O2 1871407765 QLCFMKYWHBWASO-ICODJCHTSA-N 447.918 5.979 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(O[C@@H](C)C(=O)Nc3ccccc3C)cc(C)c2C1=O 1871409827 SNXLHOBNLABXPY-QCYAWUEASA-N 427.500 5.634 30 10 IKEE CCCC[C@H](Oc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O)C(=O)O 1871422921 IKOLHUGVBLXXTJ-NAZSJVEXSA-N 428.484 5.992 30 10 IKEE C=CCN(CC=C)c1nc(=NCc2ccc(F)cc2)nc(Nc2ccc(C(C)C)cc2)[nH]1 1871504709 NEQPIVOPUNEKHW-UHFFFAOYSA-N 432.547 5.090 30 10 IKEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 1871836595 RBPNKDYEDRSGKN-QHCPKHFHSA-N 428.598 5.103 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 1872458730 XSTSOZQDEJVKOL-JOCHJYFZSA-N 449.016 5.413 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccccc3C(C)C)n2)cc1 1872765157 IRHZDVWKPWOXHT-WMZHIEFXSA-N 446.616 6.920 30 10 IKEE CC(C)c1ccc(O[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 1872773510 PFKVWHRMDFMYEG-DNVCBOLYSA-N 434.517 5.306 30 10 IKEE Cc1nc(SCc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2)c(C#N)c(C)c1C 1872895404 RTWVDNSFQMXTPT-UHFFFAOYSA-N 435.980 5.754 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H](CC)CCCCC)=C(c2ccc(C)cc2)C1=O 1873143270 GDBHIVPTWBMLNQ-QHCPKHFHSA-N 426.645 6.384 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2OC(C)C)=C(c2ccccc2)C1=O 1873415009 DWMKYLYURWDZHH-UHFFFAOYSA-N 434.580 6.026 30 10 IKEE NC1=C(c2nc(-c3ccccc3)c(-c3ccccc3)s2)C(=O)CN1CCc1ccccc1 1873528064 FGOLNOZXWAJLNK-UHFFFAOYSA-N 437.568 5.232 30 10 IKEE CCCCCCCCNc1ncnc2c1ccc(=O)n2-c1ccc(Cc2ccccc2)cc1 1873540781 WJSOAYJPGFYGGP-UHFFFAOYSA-N 440.591 6.144 30 10 IKEE N#Cc1ccc(NC(=O)[C@H](NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)cc1 1873864306 DBMLQTDJDAONOV-HHHXNRCGSA-N 445.522 5.186 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1c2ccccc2C(=O)N([C@@H](C)CC)C12CCCC2 1873937006 WNSVYPWYRSCCNK-DHLKQENFSA-N 440.672 6.594 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1cccc(O)c1 1874214383 JYOIOTNGNPOTLF-HZHRSRAPSA-N 430.961 5.033 30 10 IKEE COc1cccc(CCc2nnc(SCCc3ccccc3)n2/N=C/c2cccs2)c1 1874310939 VRXUNSMQOCDYSM-XIEYBQDHSA-N 448.617 5.350 30 10 IKEE Clc1cccc(CSc2nnc(CCOc3ccccc3)n2/N=C/c2ccco2)c1 1874348287 GOORMLPBXVMSQE-BUVRLJJBSA-N 438.940 5.321 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccccc3Cl)n2/N=C/c2ccc(O)cc2)cc1 1874365038 IFCDDWRUAJBFLQ-AFUMVMLFSA-N 434.952 5.787 30 10 IKEE C=CCSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874365821 WRDLWKNJYSNHGC-SRZZPIQSSA-N 434.308 5.320 30 10 IKEE Cc1cccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2cccc(Cl)c2)c1 1874419680 ZDFAVXNDFWDUMD-WGOQTCKBSA-N 432.980 6.005 30 10 IKEE Fc1cccc(CSc2nnc(-c3cccs3)n2/N=C/c2ccc(Cl)cc2)c1 1874421365 JFDDWCLYODVOTQ-FSJBWODESA-N 428.945 5.974 30 10 IKEE Cc1cccc(CSc2nnc(CC(C)(C)C)n2/N=C/c2c(F)cccc2Cl)c1 1874437446 BEYVLXSIROSYAB-DHRITJCHSA-N 430.980 6.142 30 10 IKEE CC(C)(C)c1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C2CCCC2)cc1 1874452674 HTCGHMMQKYGZKM-JVWAILMASA-N 436.600 6.547 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2[C@H]2CCCO2)cc1 1874453538 MDFWYDBOONIVDI-ORBAKXMTSA-N 444.963 5.659 30 10 IKEE Fc1ccccc1CSc1nnc(C2CCCC2)n1/N=C/c1ccc(Cl)cc1Cl 1874455896 PHBWRCUNVMKTER-BRJLIKDPSA-N 449.382 6.556 30 10 IKEE Oc1ccccc1/C=N/n1c(SCc2cccc3ccccc23)nnc1C(F)(F)F 1874462253 ONJRFDVABJPQCB-BRJLIKDPSA-N 428.439 5.330 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2cccc(Cl)c2)cc1C 1874510178 KPAXPVCNFOQHMM-WYMPLXKRSA-N 441.988 5.285 30 10 IKEE O=C(CSc1nnc(C2CC2)n1/N=C/c1cccc2ccccc12)Nc1ccccc1F 1874517169 UGUQMIKBNVCOCF-VULFUBBASA-N 445.523 5.061 30 10 IKEE Clc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CC2)cc1Cl 1874519785 LPISMYNTFBUUDH-AUEPDCJTSA-N 437.783 6.290 30 10 IKEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1c(Cl)cccc1Cl 1874535256 DMUBJRFDZNLORD-GZIVZEMBSA-N 446.190 6.375 30 10 IKEE CCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1/N=C/c1cccc(C)c1 1874542106 JTBYYUGNSZXABX-MFKUBSTISA-N 443.016 5.863 30 10 IKEE COC(=O)c1ccc(COc2ccc3ccccc3c2/C=C/C(=O)c2ccc(OC)cc2)o1 1874575120 WQRBRXWOGBXXSF-BUHFOSPRSA-N 442.467 5.703 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccc(C)cc3C)c2)cc1 1874593658 VKEPSFQSCQROSI-GHRIWEEISA-N 441.571 6.560 30 10 IKEE C=C(C)COc1c(OC)ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c1Br 1874594447 KPEKHZQOSZPVSN-UXBLZVDNSA-N 432.270 5.217 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OCc1ccc(Cl)cc1Cl 1874595743 BICWPDCVNOWUAT-UXBLZVDNSA-N 441.354 7.094 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1OCc1ccc(C)cc1 1874599895 JTSGANHFJFAHBI-NTCAYCPXSA-N 428.572 7.085 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3CC)c(Cl)c2)cc1 1874604358 IHHGBHXABHZYBE-RVDMUPIBSA-N 447.962 6.378 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 1874604432 MFRLIBCPNWGNRG-NTEUORMPSA-N 447.487 5.650 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Cl)c1OCc1ccccc1C 1874609113 YJGMUNSREJZSMJ-VAWYXSNFSA-N 427.327 6.786 30 10 IKEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1Cl 1874629785 UQOWFGYRSYAVIK-CSKARUKUSA-N 429.944 5.109 30 10 IKEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc1OCC 1874634036 IMZUQLBRMZPBHG-VQHVLOKHSA-N 446.927 5.284 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3c(OC)cccc3OC)c2)cc1 1874694123 MPAVDRBUEFDVRW-RVDMUPIBSA-N 446.499 5.390 30 10 IKEE CCCCC(=O)Oc1cc(/C=C/C(=O)c2ccc(OC)cc2)c(Br)cc1OC 1874697536 CJDHAXJJVLKLLA-FMIVXFBMSA-N 447.325 5.458 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2cccc(/C=C/C(=O)c3cccc(Cl)c3)c2)cc1 1874699193 JDAWAXVORCSJKU-DTQAZKPQSA-N 448.946 6.563 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OC(=O)Cc1ccccc1Cl 1874709200 AEZPNAGECLNWRX-UXBLZVDNSA-N 442.845 5.671 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c(C)c3C)c2)cc1 1874712079 PJGCVFIPYMUDAH-GXDHUFHOSA-N 430.500 5.365 30 10 IKEE CCc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc(OC)c(C)c3C)ccc2OC)cc1 1874712569 HPXONBPEZHPVBV-NTEUORMPSA-N 444.527 5.998 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(-c3ccccc3)cc2)CSc2nnc(C)n21 1874825516 QCENXZKBLAYRNY-XMMPIXPASA-N 448.636 6.316 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(Br)c1OC(=O)C1CC1 1875103450 ZJHQFKLGNGEADN-KPKJPENVSA-N 443.337 5.622 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)c1cccnc1 1875111378 HIOZOUOAXJQROE-CMDGGOBGSA-N 428.271 5.512 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 1875128849 XQZHLNPUHNRXLL-XYOKQWHBSA-N 441.310 6.507 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc4ccccc4n3C)c(Cl)c2)c(C)c1 1875131638 HNBOOIMUZJTHEX-FMIVXFBMSA-N 443.930 6.564 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2OC)c1 1875140294 ZCHCVIFRDYQVJX-ACCUITESSA-N 430.500 5.826 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)C(F)(F)F 1875141888 AGVFDCRKRFSPOE-QPJJXVBHSA-N 430.781 5.550 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 1875143476 BNYSUFOFGXJAMW-YRNVUSSQSA-N 447.443 5.036 30 10 IKEE Cc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2[N+](=O)[O-])c1 1875148155 DAKWDKRKODDINO-RIYZIHGNSA-N 443.499 6.316 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)c1cnccn1 1875155875 DRAUQNUQFNEFRB-RUDMXATFSA-N 436.895 5.377 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)CCCOc1ccc(C)cc1 1875159138 DFFYZTIHTGZYJL-VIZOYTHASA-N 448.490 5.803 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)c3ccccc3)cc2)c(OCC)c1 1875177439 KYFXLDXXTJZXSW-ZPBCLNFZSA-N 444.527 6.089 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3cccs3)c([N+](=O)[O-])c2)c(C)c1 1875183277 SJPPEYOSMKXJEA-SOFGYWHQSA-N 435.501 5.626 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)c1ccccc1 1875185106 GYTQLLFLUYZGRM-DTQAZKPQSA-N 442.555 6.807 30 10 IKEE O=C(Nc1cccc(-c2ccc(C(F)(F)F)cc2)c1)c1cc(F)cc(C(F)(F)F)c1 1890642341 JPGZGQSDVKVLEO-UHFFFAOYSA-N 427.319 6.783 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)[C@H]2C[C@H]21 1907795027 ZPFNNIBGWLZAPF-YZZKKUAISA-N 447.963 5.373 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1csc([C@H](C)NC(=O)OC(C)(C)C)n1 1922079897 JNFCOOCQODDSJO-PXNSSMCTSA-N 431.602 5.152 30 10 IKEE C=C([C@H](NCCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br)[Si](C)(C)C 1923003316 AOPOBHHCOIOUQA-SFHVURJKSA-N 441.486 6.270 30 10 IKEE CCC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 1944858075 BKQCGHVVJJPCTG-MHECFPHRSA-N 435.609 5.486 30 10 IKEE CCC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 1945808602 OETDTJMTMAYSJO-ICSRJNTNSA-N 437.625 5.779 30 10 IKEE CC(C)(C)OC(=O)NCC[C@@H]1CC[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C1 1949122436 LGGLRIUYZKNRDK-GAJHUEQPSA-N 449.617 5.462 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C)([C@@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)C1 1992797963 RYWAUIUSEFXWKP-VGSWGCGISA-N 435.590 5.024 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NC)[C@@H](NC(=O)OC(C)(C)C)C1CCC(F)(F)CC1 2016133750 XXACPAWHBYBQDS-RTWAWAEBSA-N 438.559 5.066 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@@H]1CNC(=O)OC(C)(C)C 2032222162 CHZOQOOELVNHAL-OSPHWJPCSA-N 445.560 5.024 30 10 IKEE CC(C)(C)OC(=O)NCC[C@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 2037227910 ANMBCXPPOILFFB-CLOONOSVSA-N 449.636 5.924 30 10 IKEE CCOC(=O)c1c(C(C)(C)C)nn(Cc2cc(F)cc(C(F)(F)F)c2)c1C(F)(F)F 2079033711 ZTQUYCFWDLDCGK-UHFFFAOYSA-N 440.359 5.582 30 10 IKEE CC[C@@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)F)c(C=NO)c1Br 2079873072 JYFOOFVXYRTBNB-NSHDSACASA-N 444.173 5.549 30 10 IKEE Cc1nn([C@H](c2ccc(C3CCC3)cc2)C2CCC2)c(I)c1C#N 2079896420 IPKRYVUWVDNIID-IBGZPJMESA-N 431.321 5.325 30 10 IKEE COC(=O)c1c(C(F)(F)F)nn([C@H](c2ccc(C(F)(F)F)cc2F)C(C)(C)C)c1N 2079970375 QZWDIVJMASSSRA-CYBMUJFWSA-N 441.347 5.064 30 10 IKEE CCc1nn([C@H](c2c(C)cc(C)cc2C)C(C)(C)C)c(I)c1C#N 2079976778 CNDIRRMYNZTMKQ-GOSISDBHSA-N 435.353 5.483 30 10 IKEE COc1ccc([C@H](C2CCC2)n2nc(C3(C)CC3)c(C=NO)c2Br)cc1C 2079987813 YRNAWCBZPWNNJP-SFHVURJKSA-N 432.362 5.212 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCC[C@@H]2CSC[C@@H]21 2087832670 ABQQKHARFNWUNW-SIFCLUCFSA-N 437.403 5.616 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@H](C#N)c1ccc(Br)c(Cl)c1F 2098120422 JLWZOXCWTQJPAB-OAHLLOKOSA-N 439.712 6.248 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(Br)ccc(Cl)c1F 2098972029 DQWPRHHJQHMXGA-RHSMWYFYSA-N 449.792 5.752 30 10 IKEE C=CCN(CC[C@H](NCC)c1c(F)cc(Br)cc1F)C(=O)OC(C)(C)C 2099294031 AEOHUMMXKYDSMW-INIZCTEOSA-N 433.337 5.191 30 10 IKEE C=CCCCC[C@H](NC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2123080715 PFCRYXZIBWNGTJ-RBUKOAKNSA-N 425.411 5.219 30 10 IKEE C=CCN(CC[C@H](Cc1cccc(C)c1Br)NCCC)C(=O)OC(C)(C)C 2155520228 AMYUMMATDWVIJY-LJQANCHMSA-N 439.438 5.481 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCC(C#N)(Nc3ccc(Br)cc3)CC2)C1 2155994263 AXLGIGLZCZZEAJ-UHFFFAOYSA-N 434.378 5.325 30 10 IKEE C=CCCCCCC[C@@H](NCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2206901320 BDCPGCRRYRTRIJ-LJQANCHMSA-N 439.438 6.973 30 10 IKEE O=C(C#Cc1ccccc1Br)c1scc(Br)c1Br 2220259435 KXUDPASPSPYOJR-UHFFFAOYSA-N 448.961 5.270 30 10 IKEE CCCCCCCC[C@H](CO)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2227112554 XWUBHBNJKFGNDR-LJQANCHMSA-N 428.411 6.302 30 10 IKEE C=CCCCCCCC[C@@H](N)[C@@H](O)c1scc(Br)c1Br 2235531696 BVYXOFNTUZUJQU-TZMCWYRMSA-N 425.230 5.551 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@@H](C#N)c1c(F)ccc(Br)c1F 2239743710 PLUCFQPRXSJXEP-HNNXBMFYSA-N 441.247 5.873 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2cc(Br)cc(C#N)c2)C[C@@H]2CCCC[C@H]21 2240974670 ZHJJUCCFEJQHMQ-ZYSHUDEJSA-N 434.378 5.301 30 10 IKEE CCCCC#CC[C@@H](NCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248455430 FECKVGXWEHYXIS-HSZRJFAPSA-N 428.617 5.002 30 10 IKEE C#CCN(C[C@H](NCCC)c1sc(Br)c(C)c1C)C(=O)OC(C)(C)C 2254672654 HPWFESKCPIFMOM-HNNXBMFYSA-N 429.424 5.038 30 10 IKEE CCN[C@@]1(C#N)CCCC[C@H]1CCN(CCN(C)Cc1ccccc1)Cc1ccccc1 2260361073 DQJDJICILUYOCV-WUFINQPMSA-N 432.656 5.073 30 10 IKEE CC1(C)OB(c2cccc(NC(=O)N(Cc3ccccc3)CC3CCCCC3)c2)OC1(C)C 2282744954 IOJNFIHBVFJTAX-UHFFFAOYSA-N 448.416 5.600 30 10 IKEE CN[C@H](CC=CC#CC(C)(C)C)c1cc(Br)ccc1I 2284161575 IJFGXQNALMFSSQ-MRXNPFEDSA-N 446.170 5.310 30 10 IKEE CN[C@@H](C#Cc1cccc(Br)c1)[C@H](CCC(C)(C)C)NC(=O)OC(C)(C)C 2296219322 MTIPJTIYKGMVGD-OALUTQOASA-N 437.422 5.108 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@]1(C#N)CCCN(C(=O)OC(C)(C)C)[C@H]1C(F)(F)F 2303944268 ZKQMDZOUOLBCRS-QRWLVFNGSA-N 449.514 5.104 30 10 IKEE C=CCN1C(=O)C(=C(C)c2ccc(Br)cc2)SC1=Nc1cccnc1Cl 2314540069 HZZGAXMPXUQXND-UHFFFAOYSA-N 448.773 5.678 30 10 IKEE CCc1ccc(C=C2SC(=Nc3cccc(C(=O)O)c3)N(C3CCCCC3)C2=O)cc1 2314547449 IOOWEZFKWMTONV-UHFFFAOYSA-N 434.561 5.884 30 10 IKEE Cc1cccc(C)c1NC(=O)CSc1nnc(C2CC2)n1N=Cc1ccc(Cl)cc1 2320842454 OSOILXJNBOZFNM-UHFFFAOYSA-N 439.972 5.039 30 10 IKEE C=C(C)CSc1nnc(C2CC2)n1N=Cc1ccc(OCCc2ccccc2)c(OC)c1 2320851353 CORMCYPWHWMWOU-UHFFFAOYSA-N 448.592 5.336 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CC3)n2N=Cc2cccc(Br)c2)c1 2320856507 IOAPAGXOYTYIPK-UHFFFAOYSA-N 441.398 5.709 30 10 IKEE Cc1ccccc1CSc1nncn1N=Cc1ccccc1OCc1ccccc1Cl 2321239024 NXGVWFAANWIZLV-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccc(CC)cc1 2322353570 ISXAOAKEGJLPTF-UHFFFAOYSA-N 443.587 6.326 30 10 IKEE COc1ccccc1C(=O)C=Cc1cccc(OC)c1OCc1ccc(Cl)c(Cl)c1 2322485557 DLYHGFLBEAGIBS-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE Cc1ccccc1COc1ccc2ccccc2c1C=CC(=O)c1ccc(Cl)c(Cl)c1 2322583012 KKWQTNGDVUNFCP-UHFFFAOYSA-N 447.361 7.930 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1cccc(Cl)c1)c1ccc2c(c1)OCO2 2322698874 HEBZILYLKMHCMN-UHFFFAOYSA-N 427.283 6.197 30 10 IKEE COc1ccc(Br)cc1C=C1Oc2c(ccc(OC(=O)C3CCC3)c2C)C1=O 2322823270 GAEJUBMYAYJGBE-UHFFFAOYSA-N 443.293 5.088 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cc(Br)ccc2OCCc2ccccc2)c(C)c1 2322948384 NRPGCPMNSUHXHA-UHFFFAOYSA-N 449.388 6.892 30 10 IKEE C=C(C)COc1ccc2ccccc2c1C=CC(=O)c1cc(Cl)c(OC)c(Cl)c1 2322969366 OSEJHELHSUZFDK-UHFFFAOYSA-N 427.327 7.006 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2cccc(OCC(=O)NCc3ccccc3)c2)cc1 2323190038 CKYNHLGQTQQQKJ-UHFFFAOYSA-N 427.544 5.575 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1OCc1cccc2ccccc12 2323230420 VQUWIOXUFIPCCZ-UHFFFAOYSA-N 430.450 6.602 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)c1 2323486970 TYYYYKBDKLEBOB-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)cc([N+](=O)[O-])c1OCc1ccccc1 2323707990 NTHNLZKLXMUTTI-UHFFFAOYSA-N 433.460 5.477 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OCC(=O)Nc1ccccc1CC 2323813871 LIOQRDJMENFFLY-UHFFFAOYSA-N 429.516 5.561 30 10 IKEE Cc1cc(O)c(CN2C[C@H](C)O[C@H](C)C2)c2c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O2 2324017947 PAQZCJAOXXJMNL-OKILXGFUSA-N 448.346 5.233 30 10 IKEE CCCNC(=O)COc1ccc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc1Cl 2324262258 HIVYCCJNNJSTHN-UHFFFAOYSA-N 443.971 5.582 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1 2324376000 WVHGZIXODGBTEY-KRWDZBQOSA-N 431.463 5.465 30 10 IKEE Cc1cccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccc(C)cc4C)ccc3C2=O)c1 2324494325 SWYMCJFBXGZHCD-LJQANCHMSA-N 427.500 5.634 30 10 IKEE N#C[C@@H](C(=O)C=Cc1cccc([N+](=O)[O-])c1)c1nc(-c2cccc3ccccc23)cs1 2324637684 GMMRSLBLCFMKST-NRFANRHFSA-N 425.469 5.761 30 10 IKEE CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2325079258 NKKLVSMOHVOHGU-GOSISDBHSA-N 435.303 5.720 30 10 IKEE COc1ccc(C)cc1NC(=O)CCOc1ccc2c(c1C)OC(=Cc1ccccc1)C2=O 2325471351 JFAFQFSMZCMQLP-UHFFFAOYSA-N 443.499 5.336 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O)Nc1nc2ccccc2s1 2325589973 SYBMBOWMTGASES-UHFFFAOYSA-N 446.459 5.069 30 10 IKEE O=C(C=Cc1ccccc1Br)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 2325603889 IYDWPSDJPGVAFP-UHFFFAOYSA-N 433.516 5.630 30 10 IKEE CCOc1c(C=Nn2c(CC)nnc2SCc2ccc(Cl)cc2)cccc1OC 2325603966 BKDGUXJBXXJPDL-UHFFFAOYSA-N 430.961 5.076 30 10 IKEE CCCOc1ccc(C=CC(=O)C(=O)Nc2ccc(N(CC)CC)cc2C)cc1OCC 2325648507 RBGVOGMLGZFDAW-UHFFFAOYSA-N 438.568 5.250 30 10 IKEE CCc1ccc(CCC(=O)Oc2cc(C=CC(=O)c3cccc(OC)c3)ccc2OC)cc1 2325706823 CBRWRVIQEGOZGN-UHFFFAOYSA-N 444.527 5.701 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)CCc3cccc(OC)c3)c2)cc1 2325718455 ARPNTIDIXJDESA-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(OC)c(OC)c3)c2)cc1 2325734459 FDUUFKJLZCMJTF-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE CCc1ccccc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccccc1OC)C2=O 2325737433 WWKLRWOBZJIFGI-UHFFFAOYSA-N 443.499 5.200 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1N=Cc1cccc(OCC)c1OC 2326389293 QGUWTCSIWLMXOF-UHFFFAOYSA-N 438.597 5.511 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SC)n1N=Cc1ccc(C(C)(C)C)cc1 2326423510 FWZQIAYCRDDHLS-UHFFFAOYSA-N 436.581 5.324 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1cn(C)c2ccccc12 2326683366 HANOAPVRMRPHAY-UHFFFAOYSA-N 428.565 5.159 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1ccc(C(C)C)cc1 2327205365 ZJYDMNZIUDXGDG-UHFFFAOYSA-N 434.609 5.882 30 10 IKEE CCCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1cc(Cl)ccc1O 2327296629 QETCVPMMZVWXRQ-UHFFFAOYSA-N 444.988 5.526 30 10 IKEE Cc1cccc(CSc2nnc(Cc3cccc4ccccc34)n2N=Cc2cccnc2)c1 2327724178 BBVBSQBTFUPWIM-UHFFFAOYSA-N 449.583 5.900 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1ccc(OCC)cc1 2328179761 ARVLHEYHWWAUAY-UHFFFAOYSA-N 426.630 6.301 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2ccccc2)n1N=Cc1ccccn1 2328557215 UZRVSNYUXKGBCP-UHFFFAOYSA-N 429.549 5.043 30 10 IKEE COc1ccccc1CCc1nnc(SCc2ccccc2)n1N=Cc1ccc(F)cc1 2328689856 MJEVHFZSZDUMFT-UHFFFAOYSA-N 446.551 5.386 30 10 IKEE C(=Nn1c(CCCOc2ccccc2)nnc1SCCc1ccccc1)c1ccccc1 2328746539 PQDHNQWIVHYEMR-UHFFFAOYSA-N 442.588 5.507 30 10 IKEE Cn1cccc1C=Nn1c(Cc2ccc(Cl)cc2)nnc1SCc1cccc(F)c1 2329085469 YGUVFGSDCNTWRP-UHFFFAOYSA-N 439.947 5.174 30 10 IKEE C=CCSc1nnc(COCc2ccccc2)n1N=Cc1c(OC)ccc2ccccc12 2329351792 YRCLIDCXBXEBIW-UHFFFAOYSA-N 444.560 5.317 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2N=Cc2ccc(F)cc2)cc1 2329382916 YBDKNVXIXXZCQK-UHFFFAOYSA-N 444.579 6.108 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2cccs2)n1N=Cc1ccc(O)cc1 2329636066 PNZRCUBKGUFEGJ-UHFFFAOYSA-N 434.590 5.313 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccc(F)cc2)n1N=Cc1sccc1C 2329805462 OQFGEGRKAJUKQR-UHFFFAOYSA-N 436.581 5.861 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2cccc(Cl)c2)n1N=Cc1cccs1 2330135889 IPGXVPUDDJQOSG-INIZCTEOSA-N 439.009 6.319 30 10 IKEE Fc1cccc(CSc2nnc(-c3cccs3)n2N=Cc2c[nH]c3ccccc23)c1 2330556687 WHSWBIOZYGRUMX-UHFFFAOYSA-N 433.537 5.802 30 10 IKEE C=C(C)CSc1nnc(CC(C)(C)C)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2330840290 CQVVBSGAEQCLSC-UHFFFAOYSA-N 448.592 5.636 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3)c([N+](=O)[O-])c2)cc1C 2330866730 QJQGPOIVDUHKRA-UHFFFAOYSA-N 435.407 5.166 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccco2)c(Cl)c1)c1ccc(Br)cc1 2330886877 VEJHMJDYZKTHPZ-UHFFFAOYSA-N 431.669 5.811 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1Cl)c1ccc(F)c(F)c1 2330919418 PKHFZFQJADNPNO-UHFFFAOYSA-N 433.237 6.387 30 10 IKEE Oc1cccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CCCC2)c1 2331093071 JBYFDTYHEHSKSM-UHFFFAOYSA-N 447.391 6.123 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2OC)cc1 2331330014 KGQOQJURBBENBP-UHFFFAOYSA-N 430.500 5.826 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)ccc1OC(=O)[C@@H]1CCCO1 2331601705 UGVPLQLRFBQTPN-VWLOTQADSA-N 444.483 5.468 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2cccc(Cl)c2)c(C)c1 2331712854 VNHDEQKTAVZYNP-UHFFFAOYSA-N 441.988 5.285 30 10 IKEE Cc1cc(I)c(Oc2cc(Br)cc(C#N)c2)cc1Cl 2336434032 AWCSMFOUABFXPH-UHFFFAOYSA-N 448.485 5.680 30 10 IKEE N#Cc1cccc(Br)c1OCc1cc(Br)cc(Br)c1 2337072193 DGHPNTFMSCGNER-UHFFFAOYSA-N 445.936 5.425 30 10 IKEE CCN(CC)CCN(Cc1ccccc1)c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339547731 SJVNYBXVSFAJPL-WUKNDPDISA-N 435.421 5.075 30 10 IKEE CC(C)[C@H](CCNC(=O)OC(C)(C)C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339604931 WXMOXNOWXHYMKR-XUDAUXSOSA-N 446.397 5.044 30 10 IKEE C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)nnc1-c1ccc(Cl)cc1 20168991 ZRQSKCUFNSLSCD-HOTGVXAUSA-N 426.973 5.143 30 10 IKEE C=CCOc1c(Cl)cc(/C=C2\C(=O)N(c3ccc(C)cc3C)C(=O)N=C2O)cc1OC 33417302 JWYSYKLGTVULKZ-YBEGLDIGSA-N 440.883 5.037 30 10 IKEE C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)nc2sccc2c1=O 36801337 QRTXCKUFGVEQBW-CQSZACIVSA-N 427.595 5.061 30 10 IKEE COc1ccc(OC)c(/C=C2/Oc3c(ccc(O)c3CN(CC(C)C)CC(C)C)C2=O)c1 37857635 QPAHXOBLCNUXLM-WYMPLXKRSA-N 439.552 5.140 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1 38320837 RNNFXJVBAWTWKL-UCQKPKSFSA-N 432.903 6.473 30 10 IKEE CCCCCCCCCCCCCCCCCCOC(=O)N[C@H]1CCS(=O)(=O)C1 59568225 YXMVGMVHDONRFO-QFIPXVFZSA-N 431.683 6.161 30 10 IKEE O=C(/C=C\c1c(-c2ccccc2)c2c3n(c(-c4ccccc4)cn13)CCCC2)C(F)(F)F 96835551 RHFHGBLEWWKYRX-PFONDFGASA-N 434.461 6.556 30 10 IKEE O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1ccccc1)c1c([nH]n(-c3ccccc3)c1=O)N2 98036959 HACHTJIALLNKIG-HTAPYJJXSA-N 439.540 5.185 30 10 IKEE COc1ccc(Oc2ccc(/C=C\C(=O)c3ccc4c(c3)OCCO4)cc2[N+](=O)[O-])cc1 98053778 CPRUATFRJBBKTJ-MBXJOHMKSA-N 433.416 5.063 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)[C@H](C)c1ccc(CC(C)C)cc1 100419708 ROEGKAASPXDXQE-AREMUKBSSA-N 429.733 8.586 30 10 IKEE CCCCCCCCCCCn1c(C)c(C(N)=O)c(-c2cccc(F)c2)c1CCCC 102448703 ARFFXTPDTFPSLE-UHFFFAOYSA-N 428.636 7.575 30 10 IKEE Cc1ccc([C@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2c2cccc(Br)c2)cc1 102553290 SQPCACGGUYLTEZ-AGGMBTAESA-N 448.316 5.384 30 10 IKEE C=CCn1cc(/C=C2/S/C(=N/c3ccccc3)N(c3ccccc3)C2=O)c2ccccc21 103699451 ATHHIMMRTKFDOV-IXTCTEKTSA-N 435.552 6.636 30 10 IKEE N#CC1(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)CCCCCC1 105669606 HZYZFFKCPPINMY-UHFFFAOYSA-N 443.576 5.030 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc(Cl)c1OC 169940606 KHQSJAHWLNBVNU-KSEXSDGBSA-N 444.944 5.275 30 10 IKEE CCCCCCCCCOc1ccc(C[C@@H]2CN(CC)CC[C@@H]2O)cc1Br 169941322 MOETUNROMRYCEF-IRLDBZIGSA-N 440.466 5.824 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(OC(C)C)cc2)cc1C 169979249 FXAPEPDGHKFCSO-XMMPIXPASA-N 433.548 5.612 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1cccc(OC(C)C)c1 169980902 KQMSIDGSTKGECD-DEOSSOPVSA-N 446.547 5.724 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccccc2)cc1 170028835 MRSCVLIZENOECT-JOCHJYFZSA-N 433.891 5.522 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc3ccccc23)ccc1F 170045549 NCPQEUPJVGIJRO-DEOSSOPVSA-N 441.458 5.659 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(Cl)cc1)c1cccc(Cl)c1 170059756 LSSMPCFQXQBRAK-HXUWFJFHSA-N 430.331 5.904 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccccc2F)cc1 170069416 QDHDOBOHBYWRNQ-HSZRJFAPSA-N 442.446 5.099 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccccc2F)cc1C 170072371 DQYWBXFVWVPSAI-HSZRJFAPSA-N 433.454 5.360 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2C)cc1 170089251 FAWFFLOMNRXBTR-HSZRJFAPSA-N 447.918 5.830 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccc(OCC(C)C)cc1 170167470 HYPOWQCBTXKARG-MZNJEOGPSA-N 449.547 5.033 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccccc1 170221858 YCOCJSXHAICAKA-QHCPKHFHSA-N 445.584 6.133 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccccc2)cc1Cl 170225811 ULIVNEPVXXGQMY-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(Cl)cc1)c1cccc(Cl)c1 170235455 FAEFFJFEDSZXDR-LJQANCHMSA-N 428.271 5.365 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(F)cc2)cc1 170239885 KKSSCTZVHMHHRS-HSZRJFAPSA-N 431.463 5.316 30 10 IKEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(C4CCCCC4)[C@H]3c3ccc(F)cc3)ccc2O1 170242426 PSXBIRFYBBIENZ-WNSKOXEYSA-N 435.495 5.060 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(Cl)c(Cl)c1 170246636 NFVODWYONHHCPP-LJQANCHMSA-N 434.319 5.299 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccco2)cc1C(C)C 170282247 IXGQPVDYCLGQIW-QHCPKHFHSA-N 449.478 5.642 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Br)ccc3o2)[C@H]1c1ccc(C)o1 170309754 LQKMHJCMJZKSSH-GOSISDBHSA-N 444.281 5.085 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCCC)[C@H]2c2ccc(C)o2)cc1 170309988 DNQUEYDPXVYYMP-QHCPKHFHSA-N 439.552 5.926 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@@H]1c1sccc1C 170318581 BXWNIZOMFQCVER-OAQYLSRUSA-N 441.593 5.957 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(OC(C)C)cc2)c1 170331886 CLEVORDIEUWHHL-QFIPXVFZSA-N 449.528 5.327 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(CC(=O)OC(C)C)cc2)c1 170459826 USUXUZJYRPGYLZ-RUZDIDTESA-N 449.547 5.004 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(C(C)(C)C)cc2)c1 170466681 YAYPFEWTLGWJOA-HSZRJFAPSA-N 445.515 5.759 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1oc(C)c(C(=O)OC)c1C#N 170493348 YCIOXWWOIFUYGZ-UHFFFAOYSA-N 446.632 7.446 30 10 IKEE N#Cc1c(NC(=O)c2ccc(-n3cccc3)cc2)oc(-c2ccccc2)c1-c1ccccc1 170494007 RBXALGZZZYZDNG-UHFFFAOYSA-N 429.479 6.528 30 10 IKEE Cc1ccc(N=Cc2cc(Cc3ccc(O)c(C=Nc4ccc(C)cc4)c3)ccc2O)cc1 254307127 FZTXWDRDBSAVQW-UHFFFAOYSA-N 434.539 6.807 30 10 IKEE O=C1/C(=C\c2ccsc2)SC(=Nc2ccccc2)N1CCc1c[nH]c2ccccc12 254396381 MNAPSWWVQNPFKX-IGUOQJQCSA-N 429.570 6.076 30 10 IKEE CCCOc1ccc(/C=C2/SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc1OC 254856128 QOODNLLNLFMICV-ZNCAUEQNSA-N 444.556 6.293 30 10 IKEE C=C1CC[C@@H](O)C/C1=C/[C@H](O)[C@]1(O)CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@H](C)/C=C/[C@@H](C)C(C)C 257372455 KXILCRGOVVVVRF-KNXDSONTSA-N 430.673 5.807 30 10 IKEE CCCCCCCCC[C@H](NC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 406481869 JABJEIRBQFMVNB-IBGZPJMESA-N 441.454 7.197 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3cccc4ccccc34)[C@@H]2c2ccc([N+](=O)[O-])o2)cc1 526489608 BROBOXRZHPBRHS-QHCPKHFHSA-N 437.411 5.270 30 10 IKEE CCCCCOc1ccc(/C=N\n2c(CCC)nnc2SCc2ccc(F)cc2)cc1 526802795 NHYGNMQZHIEASW-ONUIUJJFSA-N 440.588 6.113 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1ccccc1C(F)(F)F 526803409 XWVMKFCXNLBRCN-ZMFRSBBQSA-N 436.478 5.953 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccc(OC)c(OCC)c1 526807038 DCIVABZPRUDREP-OYKKKHCWSA-N 444.988 5.466 30 10 IKEE CCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccc(Cl)cc2)cc1OC 526807360 XMWZWSZIBSGXBL-QRVIBDJDSA-N 430.961 5.076 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccc(OC)c([N+](=O)[O-])c1 526821528 XDZXAQRHTWGVLF-OYKKKHCWSA-N 447.520 5.085 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCN(C(=O)OC(C)(C)C)[C@@H]2C)c1 698426824 FYPWWQFRAOCFQI-MZNJEOGPSA-N 445.560 5.118 30 10 IKEE CC(C)C[C@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)C1 698481152 DBYJFICQGKYQDG-VGOFRKELSA-N 435.406 6.689 30 10 IKEE O=C1/C(=C\c2cc(Br)c(O)c(Br)c2)Oc2c(Cl)cccc21 1081083971 HYKKPJBKVZYCBR-WUXMJOGZSA-N 430.479 5.187 30 10 IKEE CC(C)(C)c1ccc(Oc2ccc(C(F)(F)F)cc2N=Cc2cccc(Cl)c2O)cc1 1083900001 PBLNQXZAVUZEPX-UHFFFAOYSA-N 447.884 7.905 30 10 IKEE Cc1ccccc1N=C1S/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1C 1084317112 HZXTURABEAAKGO-IBORXNHRSA-N 429.501 6.020 30 10 IKEE N[C@H]1CCCC[C@@H]1N/C(=N/CC1CCCCC1)Nc1ccc(OCc2ccccc2)cc1 1088664576 GHOLBPUORSOMGJ-UIOOFZCWSA-N 434.628 5.473 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNc1ccccc1)CC(C)(C)C2 1772729342 LDJPEPXCEKLHJR-UHFFFAOYSA-N 435.955 6.591 30 10 IKEE COc1cccc(/C=C2\SC(=Nc3cccc(C)n3)N(C3CCCCC3)C2=O)c1OC 1772736754 MQBGZJYXHYUCAK-UTXXGPSKSA-N 437.565 5.344 30 10 IKEE CC(C)c1ccc(/C=C2/SC(=Nc3cccc(C(=O)O)c3)N(C3CCCCC3)C2=O)cc1 1772737688 RNWLYUVPKLDDNB-SMQJIGSPSA-N 448.588 6.445 30 10 IKEE CCCCCCCOc1cccnc1NC(=O)c1cc(OCC)c(OCC)c(OCC)c1 1858741510 TXOPCDWRYUOMPU-UHFFFAOYSA-N 444.572 5.879 30 10 IKEE CCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)Cc1cc(Cl)ccc1SC 1860975608 FLJXMFMOHGRDKA-JOCHJYFZSA-N 427.054 5.366 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)c1cc2ccccc2n1C 1861393406 TUHJUEGIKNJMCP-JOCHJYFZSA-N 427.633 5.724 30 10 IKEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)CCCOc1ccc(CC)cc1 1861715330 LLAIZTAIDOOQOL-UHFFFAOYSA-N 432.649 5.560 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2cccc3ccccc23)n(Cc2ccccc2F)n1 1862370942 AHCFDMVAANYWAY-UHFFFAOYSA-N 425.507 5.705 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1Cl 1862382979 QAHXXVUHMPKYCP-LJQANCHMSA-N 434.294 5.653 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(CC)cc1 1862401559 DMYPOVHAWIXHIZ-XMMPIXPASA-N 435.564 5.725 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc(C)c1 1862429419 MKZBMKGOAGUAFV-QFIPXVFZSA-N 441.955 5.434 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@H]1c1ccccc1F)c1ccccc1Cl 1862431045 YKROMGTYUUVVDU-QFIPXVFZSA-N 441.930 6.170 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862432176 YDDUWXUYPWQNNB-HJPURHCSSA-N 447.918 5.688 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2[C@H](C)CC)cc1OC 1862439244 JZEITIQRTUTDSB-SPLOXXLWSA-N 443.927 5.124 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(F)cc2F)c1 1862491554 WBFQUHGSWVRYSQ-JOCHJYFZSA-N 425.475 5.493 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccc(Cl)cc2)c1 1862503498 YQKMVLMCVHJZAQ-HSZRJFAPSA-N 449.909 5.874 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccccc2C)ccc1F 1862507574 OPCOABYJFMMRPD-DEOSSOPVSA-N 433.523 5.911 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc(C(F)(F)F)cc2)ccc1F 1862509048 WAXZYXWZZLXGEQ-FQEVSTJZSA-N 449.444 5.777 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2cccc(F)c2)cc1 1862530685 WBKVGIMCFVXHJU-VWLOTQADSA-N 443.518 5.783 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(C(C)(C)C)cc1 1862593147 POFFFEFBJGCPAI-HSZRJFAPSA-N 435.564 5.848 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccccc2)cc1 1862617460 ZRDSIYRUIUYECW-XMMPIXPASA-N 443.518 5.902 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(F)cc1F 1862676047 YYEHHWUYLVBWRI-JLCFBVMHSA-N 437.417 5.443 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC(C)C)cc1 1862679638 ITUXZZLLYWIHTI-HSZRJFAPSA-N 438.543 5.296 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(C(=O)O)cc1 1862726836 PVRDMQFJEBGFHQ-HSZRJFAPSA-N 441.483 5.040 30 10 IKEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2ccccc2)cc1 1862731611 XYSYYUMAIXPZDG-XMMPIXPASA-N 435.564 6.024 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1 1862741368 QJJPWGGOTSUSJV-FQEVSTJZSA-N 442.899 5.407 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Br)c(C)c2C)=C(c2ccc(Cl)cc2)C1=O 1863177396 ACUDTAMMSKAUOS-UHFFFAOYSA-N 445.744 5.097 30 10 IKEE COCCc1nc(Nc2cccc(C#N)c2)cc(N2C[C@H](C)Cc3c(C)ccc(C)c32)n1 1868246344 HRIOFHFDEIFONT-QGZVFWFLSA-N 427.552 5.228 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)C[C@@H](c1ccc(C(C)C)cc1)C(C)C)c1ccccc1 1868703658 GEQBWTZPKLVEER-IAPPQJPRSA-N 446.635 5.998 30 10 IKEE C=CCN(CC=C)c1cc(N2C[C@@H](C)OCC2(C)C)nc(-c2ccc(C(C)(C)C)cc2)n1 1869341358 HPAAEOLPFFKZAB-HXUWFJFHSA-N 434.628 5.623 30 10 IKEE Cc1ccccc1-c1ccc(-n2nnc(C#N)c2NC(=O)Cc2cccc3ccccc23)cc1 1870151721 INLQCHPJKDPMFQ-UHFFFAOYSA-N 443.510 5.449 30 10 IKEE CCCCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CN1C[C@@H](C)O[C@H](C)C1 1870353367 VOCIVJUERXZDRP-DNQXCXABSA-N 448.692 6.023 30 10 IKEE C=CCn1cc(OCc2cccc3ccccc23)c(=O)cc1CNc1ccccc1C(C)C 1870918750 NQIHBVIKNLFXFQ-UHFFFAOYSA-N 438.571 6.502 30 10 IKEE Cc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2Cc2ccccc2)cc1C 1871252214 PEOVAPBWLJDKQM-UHFFFAOYSA-N 449.554 5.576 30 10 IKEE CCCCCCCCCCn1cc(OCCCO)c(=O)cc1CNc1cccc(Cl)c1 1871265980 YKYFSQUEIDZOIZ-UHFFFAOYSA-N 449.035 6.016 30 10 IKEE CCCCCCCCCCN=c1[nH]c(Nc2ccc(OCCCC)cc2)ncc1[N+](=O)[O-] 1871306693 VNBDBAQWTPQHFE-UHFFFAOYSA-N 443.592 6.282 30 10 IKEE C[C@H](c1ccc2c(c1)CCCC2)N1COc2ccc3c(c2C1)O/C(=C\c1ccccc1)C3=O 1871354093 HDAZTOYSVDFOHU-KROWPABHSA-N 437.539 6.095 30 10 IKEE C[C@@H](c1ccc2c(c1)CCCC2)N1COc2ccc3c(c2C1)O/C(=C\c1cccs1)C3=O 1871354273 MBQIGJJRWPUBSG-MQKZQLNTSA-N 443.568 6.156 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc4c(c1)OCO4)C3=O)CN(CCC1=CCCCC1)CO2 1871354877 GCHOWOHMNANKPV-MSXFZWOLSA-N 445.515 5.382 30 10 IKEE C=CCOc1cccc(C(=O)Nc2ccc3c(=O)cc(-c4ccc(OC)cc4)oc3c2)c1 1871358898 VCJHYLRSIZGGLY-UHFFFAOYSA-N 427.456 5.286 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc(C)c2C1=O 1871377621 UVYYCLYGLWZHNJ-SMLMSEDXSA-N 447.468 5.508 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)CC1 1871382870 HWTGLVNOGCBWLB-IWIPYMOSSA-N 438.951 6.858 30 10 IKEE Cc1c(O[C@H](C)C(=O)OC(C)C)ccc2c1O/C(=C\c1c(Cl)cccc1Cl)C2=O 1871401015 RPWGOVIQGCSJIT-XTBHVRTMSA-N 435.303 5.637 30 10 IKEE Cc1c(O[C@@H](C)C(=O)OC(C)C)ccc2c1O/C(=C\c1ccc(Cl)cc1Cl)C2=O 1871401114 UMMACWQLNJXKKH-ATDWHHCWSA-N 435.303 5.637 30 10 IKEE Cc1ccc(OCCCCOc2ccc3c(c2C)O/C(=C\c2sccc2C)C3=O)cc1 1871404650 NDACZGKZJPNQEU-KQWNVCNZSA-N 434.557 6.528 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccccc1)C2=O 1871413206 BWJYUUKZDJVGDT-SUVVMJBMSA-N 447.918 5.979 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc5ccccc5c4)ccc3C2=O)cc1 1871419444 HADCYRQVWUARJF-DICXZTSXSA-N 449.506 6.036 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccc(Cl)cc4C)c3C)C2=O)cc1 1871454521 OQMVPXQIISYJQZ-QRVIBDJDSA-N 447.918 5.899 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(C(C)C)cc1)[C@@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1871848354 BKCZPGQAJDLZKJ-MBSDFSHPSA-N 446.588 5.179 30 10 IKEE C=CCN([C@@H](CC(C)C)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)c(C)c1 1871983772 JZNKNWYLGUVOIQ-DEOSSOPVSA-N 442.625 5.150 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1 1872456526 JDHHSIJPVITUPD-JOCHJYFZSA-N 449.016 5.331 30 10 IKEE CCCCCCCCCOc1ccc(-c2nc3ccc(C(=O)NC)cc3[nH]2)c(Cl)c1 1872731146 WNSPOKICTYZARN-UHFFFAOYSA-N 427.976 6.372 30 10 IKEE N#Cc1ccccc1NC(=O)c1ccc2nc(-c3cccc(OCc4ccccc4)c3)[nH]c2c1 1872735343 PIZHOLQAGXSIBA-UHFFFAOYSA-N 444.494 5.933 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(Cl)ccc3Cl)n2)cc1OC 1872761142 HBEMUQQRYIFJAF-CQSZACIVSA-N 433.316 5.624 30 10 IKEE COc1ccc(C)cc1NC(=O)c1cccc(CSc2nc(C)c(C)c(C)c2C#N)c1 1872893533 ZIEOVQLYUYUFCX-UHFFFAOYSA-N 431.561 5.740 30 10 IKEE COc1ccc(CCNC(=O)c2ccc(CSc3nc(C)c(C)c(C)c3C#N)cc2)cc1 1872895378 QNGJXXURAVKMMG-UHFFFAOYSA-N 445.588 5.152 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2)C(=O)N([C@H](CC)CCCCC)C1=O 1873159521 YKRVSKZHWKOGRX-XMMPIXPASA-N 440.672 6.856 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(Cl)c(Cl)c1)n2Cc1ccco1 1873615563 VSZAKLHIGDLPEL-UHFFFAOYSA-N 442.306 5.230 30 10 IKEE N#Cc1cccc(NC(=O)[C@H]2c3ccccc3C(=O)N(c3ccccc3)C23CCCCC3)c1 1873867409 WGZUSYFERXYQRW-RUZDIDTESA-N 435.527 5.644 30 10 IKEE CCCCCCCCCCNC(=O)CC[C@H]1NC(=O)N(c2cccc3ccccc23)C1=O 1873936592 JMTFXCGZDXRGKS-JOCHJYFZSA-N 437.584 5.302 30 10 IKEE CCOc1ccccc1OCc1nnc(SCC)n1/N=C/c1ccc(C(C)(C)C)cc1 1874241281 YHOLKRLVDNVBNN-PCLIKHOPSA-N 438.597 5.548 30 10 IKEE C=CCSc1nnc(COc2c(C)cccc2C)n1/N=C/c1cccc2ccccc12 1874300629 WMJYXPRIKCOVQD-WGOQTCKBSA-N 428.561 5.787 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CCc2cccc(OC)c2)nnc1SCC(=C)C 1874310319 PJFAUAPLQWAUIL-YZSQISJMSA-N 448.592 5.187 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874317939 SFXOGHGDPAEDBM-BUVRLJJBSA-N 449.407 5.981 30 10 IKEE C=CCSc1nnc(COc2cccc(C)c2C)n1/N=C/c1cn(C)c2ccccc12 1874325120 ZLKGTBNZRJEVHG-AFUMVMLFSA-N 431.565 5.126 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1c(F)cccc1Cl 1874329933 IJNYQCHAKDXFIQ-LGJNPRDNSA-N 442.991 6.023 30 10 IKEE Oc1ccccc1/C=N/n1c(CCc2cccs2)nnc1SCc1cccc(F)c1 1874370081 HKZJANRLYGQLKH-ZVHZXABRSA-N 438.553 5.144 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc(O)cc1 1874399930 XEPUZDWJDSLSQR-AEIQVQRHSA-N 448.979 5.963 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2cccc(Cl)c2)cc1 1874426865 DYHUHXWBENIZKP-ZVHZXABRSA-N 449.923 5.681 30 10 IKEE Cc1ccc(CSc2nnc(CC(C)(C)C)n2/N=C/c2c(F)cccc2Cl)cc1 1874436593 IQVIVTAQFPVDJJ-DHRITJCHSA-N 430.980 6.142 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(-c2ccco2)n1/N=C/c1cccs1 1874467893 HPRKULPBYYJZGW-UFFVCSGVSA-N 435.361 6.081 30 10 IKEE C=CCSc1nnc(CCCC)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874478615 JFFNMBSDKSSWOF-PCLIKHOPSA-N 441.000 6.013 30 10 IKEE C=C(C)CSc1nnc(C2CCC2)n1/N=C/c1ccc(OCCCCCC)c(OC)c1 1874495602 UTJFEBHRTQFGHD-PCLIKHOPSA-N 442.629 6.064 30 10 IKEE CCCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1/N=C/c1ccc(C(C)C)cc1 1874503521 MBHDCQPOZGBWSM-CVKSISIWSA-N 449.624 5.584 30 10 IKEE Sc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1c(Cl)cccc1Cl 1874568659 KOOJWMNVXLHEFV-SSDVNMTOSA-N 441.771 5.421 30 10 IKEE CCCNC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(Cl)cc1Cl 1874573302 GXDRBXPRGQYLGE-ZHACJKMWSA-N 442.342 5.948 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c1OCc1ccc(Cl)cc1 1874582867 KQGXVABDRDKPGL-SFQUDFHCSA-N 434.963 7.121 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC)c1OCc1ccccc1 1874585524 XTGGRGBSMGARBR-JQIJEIRASA-N 430.544 6.476 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccccc1OCC(=O)Nc1ccccc1C 1874585847 IKVLSFRMPDQZHS-BUHFOSPRSA-N 429.516 5.534 30 10 IKEE COC(=O)c1ccc(COc2c(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)cccc2OC)o1 1874585924 MHWPKVDCGQGQCU-ZRDIBKRKSA-N 448.515 5.784 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2cccc(OCc3c(Cl)cccc3Cl)c2)cc1 1874597785 DSTNIJPYLPRXCV-NTEUORMPSA-N 425.355 7.592 30 10 IKEE CCOC(=O)c1ccc(COc2cc(/C=C/C(=O)c3ccc(F)c(F)c3)ccc2OC)o1 1874598477 NZEXLEXGTHVWDP-RUDMXATFSA-N 442.414 5.218 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OCc1c(F)cccc1Cl 1874616170 MCNDJZZCPVZQBX-FMIVXFBMSA-N 440.898 6.280 30 10 IKEE COc1cc(C(=O)/C=C/c2ccc(OCc3cccc(F)c3)cc2)c(OC)cc1Cl 1874630099 KUKIJPKBPIOSTQ-DHZHZOJOSA-N 426.871 5.971 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(Cl)cc1 1874631540 ICNGWEXTGBBAGO-YRNVUSSQSA-N 441.354 7.094 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)NCc3ccccc3)c(Cl)c2)cc1C 1874631589 KGEBURWEBOCSPX-FMIVXFBMSA-N 433.935 5.548 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(OC)c([N+](=O)[O-])c3)c2)cc1C 1874696414 VQULTLPNAVTIBX-JXMROGBWSA-N 447.443 5.036 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1OC(=O)Cc1ccccc1 1874706209 VVVBAKJMDIWOGW-MHWRWJLKSA-N 428.528 6.037 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc(F)c(F)c3F)c2)c1 1874706516 MHASIRRNYPKYML-UXBLZVDNSA-N 442.389 5.236 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(-c3ccccc3)cc2)c1)c1ccc(F)c(F)c1 1874709981 SETQLZWGOBJEMS-CXUHLZMHSA-N 440.445 6.747 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(F)c(F)c1 1874710719 IILQVLVMVDFKCJ-RUDMXATFSA-N 433.237 6.387 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1cccc(/C=C/C(=O)c2ccc(F)c(F)c2)c1 1874710816 KCLLHEKXRHUPOI-JLHYYAGUSA-N 438.426 5.244 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1OC(=O)CC(C)(C)C 1874712112 AOSVTZCRKXPQGK-MHWRWJLKSA-N 444.527 6.725 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OC(=O)c1cccc2ccccc12 1874713832 PUZLJYOWYQXNSC-NTCAYCPXSA-N 436.507 6.581 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)c2cccc([N+](=O)[O-])c2)c1 1874717731 AOABJMPSQRCIGE-CSKARUKUSA-N 437.835 5.372 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)ccc1OC(=O)Cc1ccc(F)c(C)c1 1875101226 OTXHCNBMEITQQR-FMIVXFBMSA-N 448.490 5.586 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3ccncc3)c(OC)c2)cc1 1875106825 MUWRGFUPAWZSGV-FMIVXFBMSA-N 445.515 5.557 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3cccs3)c(OC)c2)cc1C 1875107384 NJKSRPNNGOCFHP-SOFGYWHQSA-N 442.920 5.842 30 10 IKEE Cc1ccccc1CCC(=O)Oc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1 1875114863 ZQQNHNDGMSRFDQ-RVDMUPIBSA-N 449.344 6.192 30 10 IKEE CCCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccc(OC)cc2)cc1OCC 1875115025 IVZDKIIBTOFLIM-KPKJPENVSA-N 447.325 5.458 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)cc2F)c(Cl)c1)c1cccc(Cl)c1 1875121128 AQBMGZPTPQGWAV-XBXARRHUSA-N 433.237 6.387 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)CCCOc1ccc(C)cc1 1875129012 GUYPRCKSSISAMH-FOWTUZBSSA-N 430.500 5.664 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1C 1875134507 VOQXNONQVDYMFE-WUXMJOGZSA-N 425.311 6.726 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2Cl)cc1 1875139644 TVWJTVDGXVBVKH-WUXMJOGZSA-N 448.902 5.997 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(OC)c(OC(=O)c2ccccc2)c(OC)c1 1875143909 XCGNPEJFRDIGFN-VAWYXSNFSA-N 432.472 5.136 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc(Cl)c1OC(=O)c1ccco1 1875151799 CQXLFZJYNPFJAK-SOFGYWHQSA-N 444.842 5.595 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Br)c1OC(=O)C(C)C 1875156481 CMHSVOSJGVDFLO-IZZDOVSWSA-N 445.353 6.039 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)c1sccc1C 1875161841 KCBPFZDUBGWRHV-QPJJXVBHSA-N 444.455 5.467 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OC(=O)c1ccccc1 1875165249 SJJYNPJVHBYCTH-ACCUITESSA-N 444.527 6.251 30 10 IKEE COc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)cc2)cc1 1875168618 MQMGFCJQMFWSLE-OVCLIPMQSA-N 444.527 5.809 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccn3)c(OC)c2)c(OCC)c1 1875179188 BWRITOYEKYWPGY-UKTHLTGXSA-N 447.487 5.003 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N(C)CCCC)n2CCC 1875205294 MOPQNDHFVWCIBX-UHFFFAOYSA-N 429.653 6.266 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N1C[C@@H](C)C[C@@H](C)C1)n2CC(C)C 1875210352 JLTBWUBBEKPPSC-OYRHEFFESA-N 441.664 5.978 30 10 IKEE CCCCCCCCCC(=O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875653276 XKMDZGSULFAEBP-UHFFFAOYSA-N 444.615 8.168 30 10 IKEE CC1(C)OB([C@]23C[C@H]2CCN(Cc2ccc(Cl)c(Br)c2)C3)OC1(C)C 1879791649 FAHFZMQPOJNJCB-KUHUBIRLSA-N 426.591 5.161 30 10 IKEE CCCN(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(Br)ccc1Br 1927790809 YGONBDBIYCPDCB-CQSZACIVSA-N 432.156 5.423 30 10 IKEE CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 1944858074 BKQCGHVVJJPCTG-KOSHJBKYSA-N 435.609 5.486 30 10 IKEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1944889100 YGBDLJWNXDPGDH-UZUQRXQVSA-N 449.617 5.415 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)CC1(C)C 1949559933 FFLINKXHBSCRHL-HSZRJFAPSA-N 433.524 5.249 30 10 IKEE CC(C)(C)OC(=O)N1CC(C)(C)[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 1996503942 HEFQMLMBOZHIFC-HSZRJFAPSA-N 433.524 5.106 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@H]2CCCCN2C(=O)OC(C)(C)C)cc1 2032407088 YIIUTZZWVRSPAY-PMACEKPBSA-N 445.560 5.118 30 10 IKEE C[C@@H](N(Cc1ccccc1)Cc1cc(F)cc(B2OC(C)(C)C(C)(C)O2)c1)C(C)(C)C 2034762992 DGHJUARNIREWDF-LJQANCHMSA-N 425.397 5.562 30 10 IKEE CCCCCCCC[C@@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 2035471795 XAJIHPUCKHOCHR-LOSJGSFVSA-N 448.692 6.605 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]12C[C@H]3CC[C@@H]([C@@H]1C2)N3C(=O)OC(C)(C)C 2043139669 CJGIVMSVXPHLJG-GKPVTSGTSA-N 440.628 5.306 30 10 IKEE CC[C@@H](c1ccc(C2CC2)cc1)n1nc(C(F)(F)F)c(C#N)c1I 2079079371 RZQNEFPHEQKQIG-AWEZNQCLSA-N 445.226 5.255 30 10 IKEE Cc1ccc([C@H](C2CC2)n2nc(C3(C)CC3)c(C#N)c2I)cc1C 2079131054 NHUXMXKMGVCREL-KRWDZBQOSA-N 431.321 5.027 30 10 IKEE COc1ccc([C@H](C(C)C)n2nc(C(C)(C)C)c(C=NO)c2Br)c(F)c1 2080075422 QCSQUMPFOOIVGC-INIZCTEOSA-N 426.330 5.144 30 10 IKEE N#Cc1c(C2CCCC2)nn(Cc2cc(Br)ccc2F)c1Br 2080294240 QOVWMSGHZXOSOC-UHFFFAOYSA-N 427.115 5.125 30 10 IKEE N#Cc1c(C2CCCC2)nn(-c2ccc(Cl)cc2Br)c1Br 2080303859 MJPPABQUJXQCEB-UHFFFAOYSA-N 429.543 5.580 30 10 IKEE N#Cc1cnc2c(-c3cc(F)c(F)cc3Br)c(C3CCCC3)nn2c1Cl 2081244580 OXBKRXUFCZXKRL-UHFFFAOYSA-N 437.675 5.620 30 10 IKEE C=CC[C@H](CNC(=O)OC(C)(C)C)COc1ncc(Br)c2ccsc12 2082201753 OLNMOIKUDIBFPM-GFCCVEGCSA-N 427.364 5.155 30 10 IKEE CCC[C@]1(C)CSC(=Nc2c(Br)cc(Cl)cc2Br)N1 2090411164 GCTUFUFDVSQFQB-CYBMUJFWSA-N 426.605 5.748 30 10 IKEE CN(CCN(Cc1ccccc1)[C@@H]1C[C@H](c2ccccc2)CC[C@H]1C#N)Cc1ccccc1 2095947569 PSNAWFSVQHBOIZ-DYIKCSJPSA-N 437.631 6.097 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCCO[C@@H]1C(C)(C)C 2160258464 PXNOVMQZRMHJNA-UTKZUKDTSA-N 437.378 5.678 30 10 IKEE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@@H](CNc2cc(Br)cc(C#N)c2)CC1 2178648588 USSJMDMZYYQYKU-LDTOLXSISA-N 440.357 5.156 30 10 IKEE N#C[C@@H](C(=O)c1cc(Br)c(Cl)s1)c1ccc(F)cc1Br 2185184556 VWXCLWWEHDXUGN-MRVPVSSYSA-N 437.515 5.556 30 10 IKEE CCCCCC#CC[C@H](NCC)c1ccc(Br)cc1I 2207271281 HMPDKVZGRSBYHA-KRWDZBQOSA-N 448.186 5.678 30 10 IKEE CCCCCCCCC[C@H](CO)N(C(=O)OCc1ccccc1)c1cccc(Cl)c1 2235436038 AXAAMXRMWBMLSF-XMMPIXPASA-N 432.004 6.985 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1c(F)ccc(Br)c1F 2239731845 LCZKNPJXDDRARR-INIZCTEOSA-N 437.284 6.042 30 10 IKEE C=CCCC1([C@H](NC)c2cc(Cl)cc(Br)c2)CN(C(=O)OC(C)(C)C)C1 2266310999 VZHOYDFAWJCZIW-QGZVFWFLSA-N 443.813 5.566 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](Nc2cc(Br)ccc2C#N)C[C@H]2CCCC[C@@H]21 2279522040 MODLVXAHSYCWEG-BJZITVGISA-N 434.378 5.301 30 10 IKEE CCCC[C@@H](NC(=O)OC(C)(C)C)[C@H](C#Cc1ccc(Br)cc1)NCCC 2296293100 GDFGJKIYXRESDI-VQTJNVASSA-N 437.422 5.252 30 10 IKEE COc1ccccc1C=C1Oc2cc(OCC(=O)c3ccc4ccccc4c3)ccc2C1=O 2296596558 KIBAHLQTUMZVBC-UHFFFAOYSA-N 436.463 5.726 30 10 IKEE COc1cccc(C(=O)Oc2ccc3c(c2)OC(=CC2=Cc4ccccc4O[C@H]2C)C3=O)c1 2296844747 BWWIYKOHPQCDQA-INIZCTEOSA-N 440.451 5.238 30 10 IKEE O=C(C(=Cc1ccc(Cl)cc1)c1nc2ccccc2o1)c1ccc(Br)cc1 2297498103 NTODHMBJEKENAQ-UHFFFAOYSA-N 438.708 6.667 30 10 IKEE C=CCCN(Cc1ccccc1)[C@](C)(C[C@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)O 2306525732 ISPAEDJJSXGSDK-PXDATVDWSA-N 430.589 5.088 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=Nc1cccc(C)n1 2314540659 VNGKYZXBUVIKJO-UHFFFAOYSA-N 446.488 5.348 30 10 IKEE CCOc1cc(C=C2SC(=Nc3nc(C)cs3)N(c3ccccc3)C2=O)ccc1O 2314543930 PIWFJCNEPMWPIX-UHFFFAOYSA-N 437.546 5.364 30 10 IKEE CCOc1ccc(C=Nn2c(C)nnc2SCc2ccc(C(C)(C)C)cc2)cc1Cl 2318574490 MGVRALVKTXHIBC-UHFFFAOYSA-N 443.016 6.111 30 10 IKEE Cc1ccc(COc2ccccc2C=NNc2oc([C@H]3C[C@H]3c3ccccc3)nc2C#N)cc1 2320839995 OFEYFVLQLXDRNJ-ZEQRLZLVSA-N 448.526 6.151 30 10 IKEE C=C(C)CSc1nnc(C2CC2)n1N=Cc1ccc(OCCCCCC)c(OC)c1 2320850076 NJTWQRGWZHBGBF-UHFFFAOYSA-N 428.602 5.674 30 10 IKEE COCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(-c2ccccc2)cc1)C3=O 2321998526 QAZRBYNPBSUKGO-UHFFFAOYSA-N 427.500 5.077 30 10 IKEE C[C@H](c1ccccc1)N1COc2ccc3c(c2C1)OC(=Cc1ccccc1OC(F)F)C3=O 2322092408 YTUVTYRQGQPUCA-MRXNPFEDSA-N 449.453 5.817 30 10 IKEE O=C(C=Cc1ccccc1OCc1ccc(Cl)cc1Cl)c1ccc2ccccc2c1 2322312497 LLOUOFSMDBXKEK-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE O=C(C=Cc1c(OCc2ccccc2Cl)ccc2ccccc12)c1ccc2ccccc2c1 2322318181 WSJAAZJVOGIGGW-UHFFFAOYSA-N 448.949 8.122 30 10 IKEE CCN(CC)C(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccc2c(c1)CCCC2 2322333351 BVBWDHKRHCAKBV-UHFFFAOYSA-N 441.571 5.862 30 10 IKEE CCOc1ccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3ccc(F)cc3)C4)C2=O)cc1 2322347486 COQOJGFOGXBJTQ-UHFFFAOYSA-N 445.490 5.501 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(Cl)cc2Cl)c1OCC(=O)OCC(C)C 2322391172 CFKVVIIGCVQXTQ-UHFFFAOYSA-N 437.319 5.476 30 10 IKEE Cc1ccc(C(=O)C=Cc2c(OCC(=O)Nc3ccccc3)ccc3ccccc23)c(C)c1 2322572616 OVUJRDAFKDOFDH-UHFFFAOYSA-N 435.523 6.370 30 10 IKEE Cc1ccc(-n2ncc(NN=Cc3ccccc3OCc3ccccc3)c(Cl)c2=O)cc1 2322586061 HYQIZWGUUXBIRX-UHFFFAOYSA-N 444.922 5.219 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cc(Cl)ccc2OCc2ccc(F)cc2)c1 2322667043 HDVRYHYJPSMIAP-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OC(=O)c4c(OC)cccc4OC)c3C)C2=O)cc1 2322759975 IDDLXXMGCLXORH-UHFFFAOYSA-N 444.483 5.410 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OC(=O)c4ccc(F)cc4)ccc3C2=O)cc1 2322781585 REANZDPMBVLADF-UHFFFAOYSA-N 431.463 5.507 30 10 IKEE Cc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(Cl)c(Cl)c2)C3=O)c1 2322884133 IFAMGUHJZGWCLU-UHFFFAOYSA-N 439.294 6.446 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OC(=O)CCCOc4ccccc4C)c3C)C2=O)c1 2323177351 FSZIDNZWFHQOKW-UHFFFAOYSA-N 442.511 5.993 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc3C2=O)cc1 2323318629 ZHNVBXGUOJCIQC-UHFFFAOYSA-N 446.886 5.974 30 10 IKEE CCCOc1c(Br)cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1OCC 2323379221 WOBANZWKJWOBJV-UHFFFAOYSA-N 434.286 5.441 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OC(=O)C(Cl)=Cc3ccccc3)cc(C)c2C1=O 2323444136 GKOMXKQNIOBANA-UHFFFAOYSA-N 436.916 6.166 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCc3cccc(Cl)c3)c(OC)c2)cc1 2323557232 NLYGNMLQSMJVIM-UHFFFAOYSA-N 434.963 7.166 30 10 IKEE CCn1cc(C=C2Oc3cc(OC(=O)CCc4ccccc4)ccc3C2=O)c2ccccc21 2323721220 YAIJHRNRQOQJAX-UHFFFAOYSA-N 437.495 5.816 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)C=Cc1ccc(OCC)cc1 2323812475 QTRNKYHSIBRAAW-XMMPIXPASA-N 430.633 5.640 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc(C=CC(=O)c3ccccc3)cc2[N+](=O)[O-])c1 2323812507 VTUYBRQONLKUHV-UHFFFAOYSA-N 430.460 5.125 30 10 IKEE Cc1cc(C)c(-c2csc(NN=Cc3cccc(OCc4ccccc4)c3)n2)c(C)c1 2323865819 GGWXNXCIXPULOE-UHFFFAOYSA-N 427.573 6.760 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OCC(=O)N(CC)CC 2323865858 LBNYGGZJZHCKQS-UHFFFAOYSA-N 435.564 5.184 30 10 IKEE CC(C)C(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2F)C3=O)cc1 2323933573 LMKLPXWABVUUCY-UHFFFAOYSA-N 446.430 5.223 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OCC(=O)Nc2cccc(C)c2)c(Cl)c1 2323992488 ZKWATFOBZZPKIF-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE Cc1cc(O)c(CN2CCCc3ccccc32)c2c1C(=O)C(=Cc1c(F)cccc1Cl)O2 2324025563 QTBAGQBCCAAJTB-UHFFFAOYSA-N 449.909 6.062 30 10 IKEE Cc1ccc(C=C2Oc3c(CN4CCC(Cc5ccccc5)CC4)c(O)cc(C)c3C2=O)o1 2324030030 SPBYMMBUAOFJCH-UHFFFAOYSA-N 443.543 5.673 30 10 IKEE CCc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccc(C)cc4)cc(C)c3C2=O)cc1 2324380894 GMQFQCPMJFPMPM-LJQANCHMSA-N 441.527 5.888 30 10 IKEE C=C(C)COc1c(Cl)cc(C=CC(=O)c2ccc(OCC)cc2OCC)cc1OC 2324478182 DMVVCPHVXWGISR-UHFFFAOYSA-N 430.928 5.997 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(O[C@@H](C)C(=O)Nc3cccc(C)c3C)c2C)C1=O 2324506168 XBYGUBPPOXODDN-SFHVURJKSA-N 447.556 6.004 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3cc(C(C)(C)C)ccc3C)cc2)o1 2324571071 XHWCDVOMWNVZHX-UHFFFAOYSA-N 446.543 6.537 30 10 IKEE COc1ccccc1C=C1Oc2cc(OCCC(=O)Nc3ccccc3)cc(C)c2C1=O 2325480026 JAEULJGQPNYRPE-UHFFFAOYSA-N 429.472 5.027 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCC(=O)Nc4ccc(F)c(F)c4)cc(C)c3C2=O)c1 2325522903 QPGSNQLTDAEJCJ-UHFFFAOYSA-N 435.426 5.215 30 10 IKEE CCCOc1cccc(C=Nn2c(CCC)nnc2SCc2ccc([N+](=O)[O-])cc2)c1 2325551084 HOCYKESYICNISB-UHFFFAOYSA-N 439.541 5.102 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(C(C)C)cc1 2325564659 QQJDGBIETQHIHD-UHFFFAOYSA-N 447.435 6.835 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1c(F)cccc1Cl 2325610484 VOVJBPWYGVIPKA-UHFFFAOYSA-N 443.762 6.114 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3c(C)ccc(C)c3C)c2)cc1 2325705669 KIPNKSVFBOMBBZ-UHFFFAOYSA-N 428.528 6.055 30 10 IKEE O=C(C=Cc1cccc(OCc2ccccc2)c1)C(=O)NCc1cccc(C(F)(F)F)c1 2325718278 PRAZNXLINGERNA-UHFFFAOYSA-N 439.433 5.183 30 10 IKEE CCCCCCC(=O)Oc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC 2325765311 JILWPYOPRKSMSY-UHFFFAOYSA-N 436.592 7.073 30 10 IKEE COc1ccccc1C(=O)Oc1cccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)c1 2325765803 HMAGXKLEYUEIMP-UHFFFAOYSA-N 428.528 6.416 30 10 IKEE CCCSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1cccc(O)c1 2325884176 JXTNOJSTXRBLIF-UHFFFAOYSA-N 446.576 5.533 30 10 IKEE CCCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1ccc(C(C)C)cc1 2326336682 AQBMZBSUQADCMS-UHFFFAOYSA-N 448.680 7.216 30 10 IKEE CCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1cccc(OC)c1OC 2326589264 FBBUHVYYAWJMMM-UHFFFAOYSA-N 446.576 5.228 30 10 IKEE C=CCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1cc(Cl)ccc1O 2327016745 NXBKRZWNPCNSGZ-UHFFFAOYSA-N 442.972 5.117 30 10 IKEE CCCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1cccc(OC)c1OC 2327779273 AJRXEQPWVISZMY-UHFFFAOYSA-N 446.576 5.424 30 10 IKEE Cc1ccc(CCc2nnc(SCCc3ccccc3)n2N=Cc2cccn2C)cc1C 2328957818 LNWKVQLTYVQOEB-UHFFFAOYSA-N 443.620 5.236 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)C[C@@H]2C[C@H]1CC2(F)F 2329112467 IVTNRDDYBPDCAT-ZJNRKIDTSA-N 427.289 5.518 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(CC3CCCCC3)n2N=Cc2ccccc2)cc1 2330251578 LRRNGNUZCATZCY-UHFFFAOYSA-N 435.553 5.484 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCc3cc(C)ccc3C)nnc2-c2cccs2)c1 2330584226 GKTPCISAPODXNJ-UHFFFAOYSA-N 434.590 5.812 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1OC(=O)C(C)C 2330801377 NKMPZMNSZGMMHN-UHFFFAOYSA-N 427.711 6.113 30 10 IKEE CCCSc1nnc(CC(C)(C)C)n1N=Cc1ccc(OCc2ccc(C)cc2)cc1 2330859910 BYSWEQNKDGBLNN-UHFFFAOYSA-N 436.625 6.138 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3Cl)c(Cl)c2)cc1C 2330860235 DNWIKUUOGZAYRJ-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE Cc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccc(Cl)cc2Cl)cc1 2330874567 WWBMSSDKGGHXTJ-UHFFFAOYSA-N 447.435 6.656 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)cc1)c1ccccc1Cl 2330911148 IZLFWPOIRIXPKZ-LEWJYISDSA-N 437.322 6.599 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1)c1ccc(-c2ccccc2)cc1 2331084616 QULGPRQAUPYQNT-UHFFFAOYSA-N 440.445 6.747 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1Br)c1cccs1 2331092771 CZLCFWQZKPRCBG-UHFFFAOYSA-N 449.272 5.904 30 10 IKEE COc1ccccc1C=Nn1c(SCc2ccc(Cl)cc2)nnc1C(F)(F)F 2331150268 VOXNXOVDJSCOHV-UHFFFAOYSA-N 426.851 5.133 30 10 IKEE CCOc1c(C=Nn2c(SCc3ccccc3)nnc2-c2ccco2)cccc1OC 2331204931 JPZJAVPNVPAPLA-UHFFFAOYSA-N 434.521 5.120 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)c1ccc(C)c(C)c1 2331335872 VJIBLOYMKXBQQT-UHFFFAOYSA-N 448.490 5.883 30 10 IKEE CCCCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccc(F)cc2)cc1OCC 2331539462 MAGQXNADTQDSSQ-UHFFFAOYSA-N 449.316 5.979 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccco3)c(Cl)c2)cc1C(C)C 2331575271 IMDULBZFMPIIDH-UHFFFAOYSA-N 438.907 6.489 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc(OC)c1OC(=O)C1CCCC1 2331661537 CDQXWFWMKBUQQN-UHFFFAOYSA-N 438.520 5.321 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)c1cccc(F)c1 2331802364 CGEUZBNALVASKY-UHFFFAOYSA-N 446.518 6.556 30 10 IKEE CCOc1ccc(C=CC(=O)Nc2c(C#N)nnn2-c2cc(C(C)C)cc(C(C)C)c2)cc1 2332190334 IXMREMRVXZBCHC-UHFFFAOYSA-N 443.551 5.436 30 10 IKEE SC[C@@H](COc1cc(Br)cc(I)c1)c1ccccc1 2338895266 NTLGIMWOJGMPBQ-GFCCVEGCSA-N 449.151 5.146 30 10 IKEE CN(C(=O)OC(C)(C)C)C(C)(C)CCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339597332 PUPRWQPAOGNOOZ-UHFFFAOYSA-N 446.397 5.141 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(C)c(C)c(Br)c(C)c1C 2375339911 UMYZSTIUFZKDRK-PXNSSMCTSA-N 439.438 5.803 30 10 IKEE C=CCn1c(S[C@@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)nnc1-c1ccccc1 11056203 OFLOTASRSJPCKO-FQEVSTJZSA-N 446.620 5.093 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/Nc2ccc(Cl)c(C(=O)O)c2)cc1 12570624 KPAHMHVQSUYDFM-VULFUBBASA-N 446.894 5.346 30 10 IKEE O=C1/C(=N\c2ccc(Oc3ccc(Cl)cc3)cc2)c2ccccc2N1CN1CCCCC1 16524198 GIUKESRPOLRMPF-FVDSYPCUSA-N 445.950 6.043 30 10 IKEE O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)n1nc(SCc3cccc(F)c3)nc1N2 20135527 XFVXPCDOBHLLPI-HXUWFJFHSA-N 440.931 5.385 30 10 IKEE C=CCn1c(CNc2ccccc2)nnc1SCCC(=O)Nc1cc(Cl)ccc1C 20291086 JUEYDDJMPAMPMM-UHFFFAOYSA-N 441.988 5.159 30 10 IKEE CC(C)Oc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(Cl)c(Cl)c2)C3)cc1 21219594 FBHBALWZTZWJOQ-FUHWJXTLSA-N 444.358 5.785 30 10 IKEE CC(C)Oc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)cc1 21233751 OKWDKTPWKSSTEP-PIIWDFAUSA-N 442.534 6.592 30 10 IKEE COc1ccc(OC)c(/N=C/c2cc(Cc3ccccc3Cl)cc([N+](=O)[O-])c2O)c1 27500975 JABYZJGAGKZANA-ZMOGYAJESA-N 426.856 5.312 30 10 IKEE CCCn1cc(CN/C(=N/C(=O)c2cccc(Cl)c2)Nc2cccc(C)c2C)c(C)n1 32973022 FHYHUBMHTHJINN-UHFFFAOYSA-N 437.975 5.270 30 10 IKEE CC(C)(C)c1ccc(/C=C2\Oc3cc(OCc4c(F)cccc4Cl)ccc3C2=O)cc1 33368916 HGMFQARJIURKCG-CFRMEGHHSA-N 436.910 6.972 30 10 IKEE Cc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3)C(C#N)(C#N)[C@H]3C=Cc4cc(Cl)ccc4N23)cc1 34795461 NPTFPJMIBFTQJX-ZNZIZOMTSA-N 449.941 5.933 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1 34954743 NUDYTHQZDAJULJ-OVCLIPMQSA-N 437.289 5.573 30 10 IKEE C=C(C)C(=O)NCCCc1nc2ccccc2n1CCCOc1ccc2ccccc2c1 40210190 HMKRUDWNNPZLSK-UHFFFAOYSA-N 427.548 5.284 30 10 IKEE Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)C[C@H](C)c1ccccc1 59240614 CMMDOHABDLONOY-AOMKIAJQSA-N 437.370 7.090 30 10 IKEE COc1ccc(/C=N/c2ccccc2/N=C/c2ccc(OC)c3ccccc23)c2ccccc12 59508245 UWADMMWJZHVSPY-GKTLAHRSSA-N 444.534 7.511 30 10 IKEE O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 59522399 XWHZJYRQVLXHNM-FNCQTZNRSA-N 428.400 5.295 30 10 IKEE C=CCN(CC(=O)N(Cc1ccccc1)Cc1ccc(C)s1)C(=O)CCCCCCC 98019806 MWWOWFWEPGDRHG-UHFFFAOYSA-N 440.653 5.960 30 10 IKEE CCCOc1ccc(NC(=O)[C@H]2CC(=O)N(CC)/C(=N/c3ccc(Cl)cc3)S2)cc1 100184735 HUDROOWUKYUZRY-IPQBESIJSA-N 445.972 5.109 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1ccc(CC(=O)N(C)C)cc1 100444391 BPZGFBYWTMLEDB-UHFFFAOYSA-N 447.689 5.831 30 10 IKEE CCCCCCCCCCCCN1C(=O)[C@@H](C)CN(C(=O)c2ccccc2)c2ccccc21 101908371 BRCLWNTWWDNBDB-DEOSSOPVSA-N 448.651 7.237 30 10 IKEE CN1/C(=C/C(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)C(C)(C)c2ccccc21 102101601 LUYWJQQYLDXVEF-HYARGMPZSA-N 448.567 5.392 30 10 IKEE CN(C)c1ccc(/C=C\C2=CC(=C3C(=O)c4ccccc4C3=O)C=C(c3ccccc3)O2)cc1 103072737 JTIXVXBDINYAGE-VKAVYKQESA-N 445.518 6.097 30 10 IKEE CCCCCCCCN(CCCCCCCC)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 104777871 TZNKZGDKMSYHRK-UHFFFAOYSA-N 425.013 7.411 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cc(C)ccc2C)c1 169933243 DCZFOBSEBXAKMH-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)ccc2C)c1 169933257 DDVORRPCESWTHK-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE CC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 169936892 CBDYAEMHEHYORV-FQEVSTJZSA-N 435.376 5.296 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OCC)c3)[C@@H]2c2cccs2)cc1 169981865 KGEDZKIVYQACIO-JOCHJYFZSA-N 449.528 5.328 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1cccs1 169983951 XJHWRYLZIGQUNK-HXUWFJFHSA-N 441.455 5.126 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@@H]2c2ccccc2)c1 170050476 UYJJIEGCIPVDHF-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccccc2C)c1 170086747 PXVPZTKLQKWGIM-XMMPIXPASA-N 427.500 5.485 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCc2ccc(F)cc2)o1 170102909 ULJSFZSTIWWKNB-NRFANRHFSA-N 439.870 5.202 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2sccc2C)ccc1F 170105479 AZKRPXQSMWBLCC-IBGZPJMESA-N 443.446 5.565 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccccc1OC 170125820 OVSAINOTZWFGHQ-QFIPXVFZSA-N 449.503 5.219 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1cccc(C)c1 170142876 CKGSYMZIPVCVQQ-XMMPIXPASA-N 427.500 5.403 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCCOC(C)C)c1 170148188 MKTDZTPDWWZBBX-RUZDIDTESA-N 443.543 5.542 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccccn1)c1cc2ccccc2o1 170173521 XIAPYHUVOQHOBA-OAQYLSRUSA-N 430.847 5.264 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2cccnc2)cc1 170185856 DHRPKPZSWLILRA-XMMPIXPASA-N 442.515 5.214 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2cccnc2)cc1 170190420 JYJYDEZYIUNCKG-DEOSSOPVSA-N 442.515 5.270 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2)c1 170223341 RSCPJAIAOASWOD-QHCPKHFHSA-N 431.463 5.396 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccccc2)c(C)c1 170225391 IUCLFSFMJXQFCD-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccccc2)cc1 170228510 YSTCCYFSSJSDMP-DEOSSOPVSA-N 438.483 5.128 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2)ccc1Cl 170230372 PXPJFIUGCFMTPE-NRFANRHFSA-N 437.879 5.110 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2C)c1 170274150 ARWGGNDJDAXPLC-NRFANRHFSA-N 437.879 5.029 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccco2)c1 170282219 OOMRFLVIKFLUNZ-HXUWFJFHSA-N 441.842 5.254 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccco2)c1 170286512 AHBJWRUBCVGDLS-OAQYLSRUSA-N 437.879 5.505 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2O)[C@H]1c1ccc(C)o1 170304422 NNGQQNCNJGSFGV-QFIPXVFZSA-N 447.487 5.010 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2sccc2C)c1 170314176 OVEVTAPWNUNRLI-QFIPXVFZSA-N 447.556 5.935 30 10 IKEE C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCCC)c1 170324090 YNEWISMSQWVRMG-VWLOTQADSA-N 445.559 5.509 30 10 IKEE N#Cc1c(NC(=O)CC23CC4CC(CC(C4)C2)C3)oc(-c2ccccc2)c1-c1ccccc1 170522117 FJSKKYCEBNJVLB-UHFFFAOYSA-N 436.555 7.030 30 10 IKEE COCCN1C(=O)/C(=C\c2ccc(Sc3ccccc3)o2)SC1=Nc1ccccc1 252614947 JNZDVOKXDPDMSP-BPNGKYSRSA-N 436.558 5.681 30 10 IKEE Cc1cc(C)c(N=Cc2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)c(C)c1 254557209 LMNYAEDMGOPRQL-PMERELPUSA-N 443.594 7.718 30 10 IKEE C(=NN=Cc1nc(-c2ccccc2)n2ccccc12)c1nc(-c2ccccc2)n2ccccc12 254739964 GHUMAIMAGHTHSH-UHFFFAOYSA-N 440.510 5.769 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@H]2Nc1ccc(Br)cc1C#N 312150787 OYZRENDEJDNKJT-IBGZPJMESA-N 428.330 5.767 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(Cl)cc2)c1 526517217 UKDCMSGCSPRQAB-XMMPIXPASA-N 444.918 6.058 30 10 IKEE CCCOc1c(/C=N\n2c(CC)nnc2SCc2ccc(Cl)cc2)cccc1OC 526807108 HZQVADUIACETKM-OYKKKHCWSA-N 444.988 5.466 30 10 IKEE Cc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccccc1OCc1ccccc1 526817223 XMCAIIFPIJHSIQ-YSMPRRRNSA-N 448.979 5.993 30 10 IKEE CCC[C@@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Br)CC1 698459174 VMSOQIONRIAHAG-VGOFRKELSA-N 435.406 6.833 30 10 IKEE CCCCCCCCCCC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 705476128 HUOWHRRSLIYEIJ-URXFXBBRSA-N 433.633 6.585 30 10 IKEE C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(Cl)ccc2Cl)[n+]2cccc(O)c2)c1 726573673 PJBDXDHIKRHXGA-UHFFFAOYSA-O 442.347 5.291 30 10 IKEE Cc1cc(O)ccc1N/C(=N/Cc1cc(Br)ccc1F)N1CCCC[C@@H]1C 1088663397 XOOCMROLWFOJTB-HNNXBMFYSA-N 434.353 5.445 30 10 IKEE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1C(=NNc1ccc(F)cc1)CCC2 1772748701 FAVFUPQSRVNIGD-UHFFFAOYSA-N 445.416 6.151 30 10 IKEE O=Cc1c(-c2c(F)c(F)c(F)c(F)c2F)cncc1-c1c(F)c(F)c(F)c(F)c1F 1848358708 WRXDCNXEJWXTHF-UHFFFAOYSA-N 439.208 5.619 30 10 IKEE CCCOc1ccc2oc(C)c(C(=O)Nc3sc(C(=O)OCC)c(C)c3C#N)c2c1 1859643580 MKMKUXPDCFVCOM-UHFFFAOYSA-N 426.494 5.201 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](C)NC(=O)CCCOc1ccc2ccccc2c1 1861698182 QDQDTDRXCXJDMK-QFIPXVFZSA-N 440.628 5.760 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(C(C)(C)C)cc1 1861808380 UZPNJXKYONOLMR-RUZDIDTESA-N 436.640 5.802 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2F)cc1 1862390374 BZSSUKDLHXUESC-RUZDIDTESA-N 443.518 5.947 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@H]2c2cccc(F)c2)c1 1862432158 XUKRZPPGSXJHCX-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2cc(Cl)cc(Cl)c2)cc1 1862483283 YTIBXSGXDIGKFD-HXUWFJFHSA-N 448.346 5.305 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2cccc3ccccc23)c1 1862495401 YHVAXPIMUNBPKB-AREMUKBSSA-N 448.522 5.630 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862509385 GXCPEUQKOXHGER-HXOBKFHXSA-N 439.527 5.690 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1cccc2ccccc12 1862532441 WZLORDYJVSCPKS-VWLOTQADSA-N 443.543 5.407 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(OCC)c(OC)c1 1862538221 KOXSXZCDANAOOU-QHCPKHFHSA-N 437.536 5.035 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc3ccccc23)c1 1862560391 DPQQMABONKFJFS-DEOSSOPVSA-N 426.516 5.333 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1c(F)cccc1Cl 1862592923 NHLJQNXSLNJGPY-MPKWNAGQSA-N 443.902 5.342 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C23CC4CC(CC(C4)C2)C3)c1 1862674202 LOXGEGPGAHQOJW-GETQMSEISA-N 445.534 5.681 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1Cl 1862675479 LVLZXCZSZSEYHU-RFVSGWPVSA-N 427.903 5.636 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(F)cc2F)c1 1862677979 IPVWJWKPCIBPAW-QFIPXVFZSA-N 437.417 5.191 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1c(F)cccc1Cl 1862693183 YXPKNNFANBLBJO-HXUWFJFHSA-N 431.891 5.256 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccccc2Cl)c1 1862701104 WJOAJSMIQKYHEF-RBQRDFNRSA-N 439.939 5.506 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccccc1F 1862703913 ZWILBAQWSMHTNU-WZONZLPQSA-N 439.527 5.772 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccc(F)c1 1862724306 LHYREXRBOJPNJS-BXKMTCNYSA-N 429.491 5.870 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(OC(C)C)cc2)C(=O)N([C@H](C)CC)C1=O 1863697515 NHTFJOWWSQTCJG-OAQYLSRUSA-N 442.644 6.083 30 10 IKEE N#Cc1cnn(-c2ccccc2F)c1NC(=O)c1c2c(nc3ccc(Cl)cc13)CCCC2 1866282734 XVEXULBSPGLSLW-UHFFFAOYSA-N 445.885 5.216 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N1CCN[C@H](c2ccccc2)C1 1866342386 KFBOEUIVTIWUBC-MHZLTWQESA-N 428.705 7.421 30 10 IKEE C[C@@H]1Cc2ccccc2N(c2cc(Nc3ccccc3C#N)nc(Cc3ccccc3)n2)C1 1868216038 PASXOACFBKPJCI-HXUWFJFHSA-N 431.543 6.013 30 10 IKEE COc1cccc(-c2nc(Nc3cccc(C#N)c3)cc(N3CC(C)(C)c4ccccc43)n2)c1 1868496133 UCJHZWYKUWUHSZ-UHFFFAOYSA-N 447.542 6.197 30 10 IKEE C=CCN(CC=C)c1cc(N2CCO[C@@H](c3ccccc3)C2)nc(-c2ccc(C)cc2)n1 1869174930 NKXGSCVXGILVOT-XMMPIXPASA-N 426.564 5.208 30 10 IKEE C=CCN(CC=C)c1cc(N2CCO[C@H](c3cccc(Cl)c3)C2)nc(C(C)(C)C)n1 1869187108 CRIIIYXBZPLPQG-FQEVSTJZSA-N 426.992 5.184 30 10 IKEE C=CCOc1cn(CCCCCCCCCC)c(CSc2ccc(Cl)cc2)cc1=O 1870246289 WVJZVJQADMUYGV-UHFFFAOYSA-N 448.072 7.500 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc3ccccc23)cn1Cc1ccco1 1870487386 DIQRVTWKGBWXJI-UHFFFAOYSA-N 440.543 5.396 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2c(C)cccc2C)cn1CCC1=CCCCC1 1870490623 AMGPNEXSHRDQHR-UHFFFAOYSA-N 446.635 6.109 30 10 IKEE CCCCCCCCCCN=c1nc2c(cnn2C)c(Nc2ccccc2C(C)(C)C)[nH]1 1871298549 ABWQKIHYEHGMLB-UHFFFAOYSA-N 436.648 6.379 30 10 IKEE CCCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(Br)cc1)C3=O 1871346539 LHXBPYPHGLGNEV-NDENLUEZSA-N 428.326 5.407 30 10 IKEE C[C@@H](N1COc2ccc3c(c2C1)O/C(=C\c1ccccc1)C3=O)C12CC3CC(CC(C3)C1)C2 1871349966 DIXPVDWMEWZZMX-ZCYWILMKSA-N 441.571 6.060 30 10 IKEE COc1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871376694 DGCGEFYHJZUOAI-RQXPBMLRSA-N 430.431 5.378 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc(-c5ccccc5)cc4)ccc3C2=O)o1 1871383282 NOECFAVLFHEHHF-NKJAKAMBSA-N 448.474 6.490 30 10 IKEE CCCCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccccc1Br)C2=O 1871400044 CWUNXTWXEFEQLA-ODLFYWEKSA-N 445.309 5.096 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccccc1)C2=O 1871414934 XZRYTDOVENKIHE-QWUOEIFBSA-N 447.918 5.979 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCCCOc4ccc(OC)cc4)ccc3C2=O)cc1 1871415795 SXWLYAAQBMDLPC-ONUIUJJFSA-N 430.500 5.722 30 10 IKEE CCCCCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 1871427000 IFLYXWJOOPAJPC-HAHDFKILSA-N 436.548 6.021 30 10 IKEE CCCN(CCC)C(=O)COc1cc(C)c2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O 1871430688 ORMFKHGJDWQXSY-BKUYFWCQSA-N 445.918 5.431 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4nc5ccccc5s4)cc(C)c3C2=O)o1 1871441256 HDAOIECPPNZDAU-GRSHGNNSSA-N 446.484 5.140 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C)cc4)cc(C)c3C2=O)cc1 1871454501 NJMCJZDNVFTQJD-OYKKKHCWSA-N 443.499 5.336 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(Br)cc2)[nH]c(N2CCCC2)n1 1871473787 BBAPETNJYBFYEX-UHFFFAOYSA-N 447.425 5.172 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1ccccc1CC)S(=O)(=O)c1cc(C)ccc1C 1872475653 OTWZEOXISOTDMB-QHCPKHFHSA-N 442.625 5.240 30 10 IKEE CCOc1ccc(-c2nc(C3=C(N)N(c4ccccc4[C@@H](C)CC)CC3=O)sc2C)cc1 1872726501 ZYGMOBYSLXQTJE-INIZCTEOSA-N 447.604 5.747 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3Br)n2)cc1 1872770327 PXUVUJNJVOCBRO-QGZVFWFLSA-N 441.350 5.851 30 10 IKEE COc1c(Cl)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)Cc2ccc(F)cc2)n1 1872778158 FMVXFTKKFUDJLH-OAHLLOKOSA-N 435.307 5.684 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OCC(C)C)cc3)n2)c(C)c1C 1872778340 JFNDNIVIEHQKOL-OAQYLSRUSA-N 434.561 5.960 30 10 IKEE Cc1nc(SCc2cccc(C(=O)Nc3ccc4c(c3)OCCO4)c2)c(C#N)c(C)c1C 1872893491 XWVCTTCGGMVOAE-UHFFFAOYSA-N 445.544 5.194 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Cl)c(Cl)c2)=C(c2c(Cl)cccc2Cl)C1=O 1873289672 ZBHVUAGCSWVFSN-UHFFFAOYSA-N 442.129 5.678 30 10 IKEE C=CCN(CC=C)C(=O)c1ccc2[nH]c(-c3ccc(OCc4ccccc4F)cc3)nc2c1 1873503885 BLERRNNOIYRQJM-UHFFFAOYSA-N 441.506 5.762 30 10 IKEE CCCCCCCCCCNC(=O)c1sc(-c2ccc(OC(F)(F)F)cc2)nc1C 1873935788 ZTBJQIGGNGRMID-UHFFFAOYSA-N 442.547 6.888 30 10 IKEE CSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1cccc2ccccc12 1874212153 YRGRPLSCUQUCNI-OEAKJJBVSA-N 437.366 5.389 30 10 IKEE CCCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccc(O)cc1 1874213833 HXHIRXJYDVNPOW-HZHRSRAPSA-N 430.961 5.033 30 10 IKEE Cn1cccc1/C=N/n1c(COc2ccc(Cl)cc2)nnc1SCc1ccccc1 1874265050 JTQPWHUHYIVNBH-ZVHZXABRSA-N 437.956 5.024 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3Cl)n2/N=C/c2cccnc2)c1 1874274149 AMLJALVTHNTAEM-JVWAILMASA-N 447.995 5.595 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccc(Cl)cc3)n2/N=C/c2ccccc2)c1 1874281930 IEWQNJJDXFWDOV-WPWMEQJKSA-N 447.007 6.200 30 10 IKEE CCCSc1nnc(COc2ccccc2OC)n1/N=C/c1ccc(C(C)(C)C)cc1 1874290395 RJAPOPVFCGFOHB-PCLIKHOPSA-N 438.597 5.548 30 10 IKEE COc1cccc(/C=N/n2c(CCc3ccccc3C)nnc2SCc2ccccc2)c1 1874362559 KXPZGUOMFHXWGJ-OVVQPSECSA-N 442.588 5.555 30 10 IKEE Fc1ccccc1CSc1nnc(CCc2cccs2)n1/N=C/c1cccs1 1874371884 WPSIYYXPQXZFAV-LPYMAVHISA-N 428.583 5.500 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2/N=C/c2ccc(O)cc2)cc1 1874390401 KQTPHURCYKEHAP-CVKSISIWSA-N 448.979 5.711 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCCc2ccccc2)n1/N=C/c1ccccc1Cl 1874400746 YNNROICTRHXSJX-RTMGKINMSA-N 447.007 6.300 30 10 IKEE Cc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCC(=O)Nc2ccccc2)cc1 1874405268 OYDDAMDMSMWQSK-YZSQISJMSA-N 447.608 5.322 30 10 IKEE COc1cccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2cccc(Cl)c2)c1 1874419177 BRMKZUBKEURHFC-WGOQTCKBSA-N 448.979 5.705 30 10 IKEE CCCOC(=O)CSc1nnc(CC(C)(C)C)n1/N=C/c1c(Cl)cccc1Cl 1874441958 OBWOTUWUNPBBLD-SSDVNMTOSA-N 443.400 5.101 30 10 IKEE CC(C)Cc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874491188 DJRFERZQHSJSHV-WSDLNYQXSA-N 429.933 5.213 30 10 IKEE O=C(/C=C/c1ccccc1OCc1cccc2ccccc12)c1ccc(Br)cc1 1874574539 RNKCLQASVALTDR-SAPNQHFASA-N 443.340 7.077 30 10 IKEE O=C(/C=C/c1ccccc1OCc1c(F)cccc1Cl)c1ccc(Br)cc1 1874574633 XHFZQLQCANPNSM-JLHYYAGUSA-N 445.715 6.717 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2ccc(F)cc2)cc1Cl 1874590691 HCUIWZYBZLZZRK-XYOKQWHBSA-N 426.871 5.971 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1ccc(Cl)c(Cl)c1 1874596446 OCYLMFHFDYFKRR-IZZDOVSWSA-N 428.271 6.377 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cccc(OCC(=O)Nc2ccc(C)cc2C)c1 1874599611 VVKLTKQDAZLNSF-ZRDIBKRKSA-N 443.543 5.842 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1OCc1cccc(Cl)c1 1874600901 JCAWWEGSYNZJCB-WEVVVXLNSA-N 447.745 7.131 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OCc1ccc(Cl)cc1 1874603912 KYYGAYCSFDUKQU-OQLLNIDSSA-N 446.974 7.093 30 10 IKEE C=CCOc1c(Br)cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1OCC 1874604481 OYMNPPRCZRGCDY-VQHVLOKHSA-N 447.325 5.326 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3c(F)cccc3Cl)c([N+](=O)[O-])c2)cc1 1874609347 LWBOVHQMHYJXHD-VZUCSPMQSA-N 441.842 5.871 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(OC)c1OCc1cccc(F)c1 1874625246 TWGAFNRBWBVTPK-XNTDXEJSSA-N 444.546 7.161 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc3ccccc23)c(Cl)c1)c1ccc(F)c(F)c1 1874626261 ULJYDYYMIVJKBH-XYOKQWHBSA-N 434.869 7.247 30 10 IKEE CCc1ccc(CCC(=O)Oc2cc(/C=C/C(=O)c3cccc(Cl)c3)ccc2OC)cc1 1874699400 SSDWVUNYWGGXBV-SDNWHVSQSA-N 448.946 6.345 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OC(=O)CCCOc1cccc(C)c1 1874703104 ZEAQYIYHCCGMEW-RVDMUPIBSA-N 444.527 5.973 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OC(=O)Cc3cc(C)ccc3C)c2)c1 1874706676 UKKXTVVFLDAPND-ZRDIBKRKSA-N 430.500 5.365 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3cccc(Cl)c3)c2)cc1C(C)C 1874710697 IAGOTFHIOXRVLB-VAWYXSNFSA-N 448.946 6.896 30 10 IKEE Cc1ccccc1CCC(=O)Oc1cccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)c1 1874711350 WVSODCRHUKDCDO-FYWRMAATSA-N 426.556 6.663 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)COc3c(C)cccc3C)c2)c(C)c1 1874716467 UCUCZUNGMUNPOC-OUKQBFOZSA-N 428.528 6.109 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cc(Br)c(O)c(Br)c1 1874719577 PVHKYCUXPLCMFJ-SNAWJCMRSA-N 440.131 5.439 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(C(C)C)cc2)CSc2nnc(C3CC3)n21 1874847378 AUOGLQDODXBEBV-QFIPXVFZSA-N 440.657 6.341 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(C)c3)c([N+](=O)[O-])c2)cc1C 1875108445 POKDCZLGLYJVGY-JXMROGBWSA-N 431.444 5.336 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2Cl)cc(OC)c1OC(=O)c1ccncc1 1875110389 IKJYKNQSYXKXSX-MDZDMXLPSA-N 433.891 5.587 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(OC)c1OC(=O)c1cccc(F)c1 1875111912 SLTKMBIBQSYOCI-ZHACJKMWSA-N 440.854 5.612 30 10 IKEE Cc1cc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2Cl)ccc1F 1875126179 SVQCOSIVEVCDOA-XCVCLJGOSA-N 443.301 6.485 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)CCc1ccccc1C 1875128147 PKXCLCNMSQGKTA-FYWRMAATSA-N 430.500 5.447 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cc(Cl)ccc3Cl)cc2)c(C)c1 1875131262 OMZRKPAMNGYIPL-WUXMJOGZSA-N 439.338 6.654 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1Cl 1875133133 GKPLTMQWXBATPP-GXDHUFHOSA-N 434.919 6.091 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)c1ccc(C)cc1 1875134262 UIRAXDINZCJCPB-RVDMUPIBSA-N 440.539 6.464 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3Cl)cc2)c1 1875145190 DSFNABRTOMWJRU-UKTHLTGXSA-N 436.891 5.401 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(OC)ccc2OC)ccc1OC(=O)c1cccs1 1875146695 AVFXQJDMMGZCBJ-JXMROGBWSA-N 438.501 5.279 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1 1875153928 FXPAMLZQMZLGAG-KNTRCKAVSA-N 436.507 6.283 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC(C)(C)C)c(Cl)c2)c(OCC)c1 1875177640 QLJHYPIVOBUPBG-XYOKQWHBSA-N 444.955 6.375 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)[C@H]1CCCO1 1875185488 VLIHUBUPKCBGBL-XOJVXBCLSA-N 436.548 5.672 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc1 1875189924 CVDGONLJKDDYEZ-GHRIWEEISA-N 438.479 5.972 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CC[C@@H](CCNC(=O)OC(C)(C)C)C(C)(C)C)NCC 1922108103 RDQDDLLHKXORIR-BJKOFHAPSA-N 446.676 6.095 30 10 IKEE CC(C)(C)OC(=O)Nc1c(Br)cc(Br)cc1[C@H](C=O)C1CCC1 1951685185 RYADDQUMZZGHRI-CYBMUJFWSA-N 447.167 5.641 30 10 IKEE C=CCC(C)(C)OC(=O)c1ccc(NC(=O)OC(C)(C)C)c(I)c1 2014042519 IHRKJBUCYJHCOW-UHFFFAOYSA-N 445.297 5.150 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@]2(C)CCCN2C(=O)OC(C)(C)C)cc1 2020799156 RZAFPXFMWCSPMA-NTKDMRAZSA-N 429.561 5.418 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@]2(C)CCCN2C(=O)OC(C)(C)C)c1 2020803272 SPLPFXCDOUTWPB-CYFREDJKSA-N 429.561 5.418 30 10 IKEE C=CCN(CC(=C)Br)C(=O)c1ccc(NC(=O)OC(C)(C)C)c(Cl)c1 2060570872 TWNIORCYFCVRSE-UHFFFAOYSA-N 429.742 5.224 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Cl)c1Br)NCCC 2063099434 YMGDVYLRMOHOLY-HOTGVXAUSA-N 431.802 5.093 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C2(CC2)C1 2065972273 CQJVERUZYUWPMC-XMMPIXPASA-N 445.535 5.251 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)C[C@@H]1C1CCC1 2073794327 KBZFKSIOYZBKLE-CJFMBICVSA-N 447.620 5.628 30 10 IKEE ON=Cc1c(C(F)F)nn([C@H](c2ccc(C(F)(F)F)c(F)c2)C2CCC2)c1Cl 2079858788 VRXURWJKWBLIIG-AWEZNQCLSA-N 425.760 5.830 30 10 IKEE CCCOc1ccc([C@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C2(C)CC2)cc1 2080071686 KXLJIFAWIXYDIT-IBGZPJMESA-N 446.389 5.684 30 10 IKEE Cc1ccc(Cn2nc(C3CCCCC3)c(C#N)c2Br)c(Br)c1 2080307006 FIJSOMOMLOBBFS-UHFFFAOYSA-N 437.179 5.684 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2cc(Cl)cc(Br)c2)c1 2088226815 AZSGAZNWFHFVOG-SFHVURJKSA-N 435.749 6.417 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)cc1Br)NCCC 2088508947 CMISZKYXBQCGBO-QZTJIDSGSA-N 445.829 5.483 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCCC(F)(F)CC1 2097429399 JREHOYJJLZIZIT-GOSISDBHSA-N 429.305 6.052 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1cc(Cl)cc(Br)c1 2124446363 XEBOKMBUYAPBAI-HNNXBMFYSA-N 444.757 5.018 30 10 IKEE CC(C)C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1Nc1ccc(C#N)c(Br)c1 2149850178 GWMVBYGNTVNWJI-LPHOPBHVSA-N 436.394 5.404 30 10 IKEE CC[C@@H]1CN(c2cc(Br)cc(F)c2C#N)[C@H](CC)CN1C(=O)OC(C)(C)C 2174809348 YRUSMTRTHXOHDX-HUUCEWRRSA-N 440.357 5.074 30 10 IKEE C=C1C[C@H]1COc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C(=O)O)c1 2243588368 BRLODHHJBHLOHR-KRWDZBQOSA-N 441.483 5.701 30 10 IKEE C=C([C@@H](OCCCN)c1scc(Br)c1Br)[Si](C)(C)C 2276529601 MRGZBTQOYMNUKF-GFCCVEGCSA-N 427.278 5.113 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2c(Br)cccc2C#N)c2ccccc21 2285186044 KRJBSKNKMIQVQZ-QGZVFWFLSA-N 428.330 5.428 30 10 IKEE C=CCC1([C@H](N)c2cc(Br)cc(C(C)(C)C)c2)CN(C(=O)OC(C)(C)C)C1 2288659569 NQDACJWFVNCLFJ-GOSISDBHSA-N 437.422 5.560 30 10 IKEE CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)CC#CC1CCCC1 2289842533 SWJXROQXPKBPIZ-LJQANCHMSA-N 434.374 5.038 30 10 IKEE CN1C(=O)C(=Cc2ccccc2OCc2ccccc2Cl)SC1=Nc1ccccc1 2293738398 PAJLDDXCQWORLE-UHFFFAOYSA-N 434.948 6.153 30 10 IKEE CC(C)(C)OC(=O)NC1(CC[C@@H](O)C#Cc2cccc(Br)c2)CCCCC1 2296223570 BGMFOOGUAQYNEZ-IBGZPJMESA-N 436.390 5.169 30 10 IKEE CCC[C@@H](CCNC(=O)OC(C)(C)C)CC[C@H](N)C#Cc1cccc(Br)c1 2296279045 KRTRHAXCOCKMIR-XLIONFOSSA-N 437.422 5.239 30 10 IKEE CN[C@H](C#Cc1ccc(Br)cc1)C[C@H](CC(C)(C)C)NC(=O)OC(C)(C)C 2296294155 QRCVBNQRCPFDOE-RTBURBONSA-N 437.422 5.108 30 10 IKEE Cc1cc(C)c2nc(N3C(=O)C(=O)C(=C(O)c4ccc(C)o4)[C@H]3c3ccccc3)sc2c1 2296935836 JXSVYLLCVNFEBG-OAQYLSRUSA-N 444.512 5.441 30 10 IKEE C=CCN(CC[C@@H](NCCC)c1ccc(OCc2ccccc2)cc1)C(=O)OC(C)(C)C 2314439949 LHLQUFQJKALJKU-RUZDIDTESA-N 438.612 6.120 30 10 IKEE COc1ccc(C=NNc2ccc(Cl)cc2)cc1OCc1ccc(Cl)cc1Cl 2321687353 XSSLBLCSIVWSBG-UHFFFAOYSA-N 435.738 6.680 30 10 IKEE CCCCCCOc1ccc(C=Nn2c(S)nnc2Cc2ccccc2F)cc1OC 2321981737 AMHFPLUGBUHZJU-UHFFFAOYSA-N 442.560 5.147 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)O3)CN([C@H]1CCCC[C@@H]1C)CO2 2322153154 ISTDPIDYWOJCAF-YWZLYKJASA-N 434.492 5.250 30 10 IKEE COc1ccccc1C=C1Oc2c(cc3c(c2C)OCN(Cc2ccccc2Cl)C3)C1=O 2322305696 MNLICENFPGEISF-UHFFFAOYSA-N 447.918 5.625 30 10 IKEE CCN(CC)C(=O)COc1c(C=CC(=O)c2ccc(Cl)cc2Cl)cccc1OC 2322391343 XRXAFNJLDYRUSW-UHFFFAOYSA-N 436.335 5.145 30 10 IKEE CCN(CC)C(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc(OC)c(Cl)c1 2322977882 DEMCQVSSBZZASF-UHFFFAOYSA-N 436.335 5.145 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1cccc(OCc2ccccc2F)c1 2323258902 CBLFLLYYGUGRMX-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE CN(C)c1ccc(C=C2Oc3cc(OC(=O)C(Cl)=Cc4ccccc4)ccc3C2=O)cc1 2323437992 BKYZWOJWFCOKAV-UHFFFAOYSA-N 445.902 5.554 30 10 IKEE CN(C)c1ccc(C=C2Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc3C2=O)cc1 2323532280 FJOJETNITKBHEH-UHFFFAOYSA-N 449.890 5.007 30 10 IKEE CCOc1cc(C=NNc2nc(-c3ccc(OC)cc3)cs2)cc(Cl)c1OCC 2323865143 MMGDYKDDSNCEFN-UHFFFAOYSA-N 431.945 5.716 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(OC)c(OCc3cccc(C)c3)c(OC)c2)cc1 2323921575 AESYNDBHZBBEAM-UHFFFAOYSA-N 446.543 6.276 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Cl)c1OCc1ccc(C)cc1 2323959138 AJSMNHFPWBGFMK-UHFFFAOYSA-N 434.963 7.139 30 10 IKEE C=CCN(CC=C)Cc1c(O)cc(C)c2c1OC(=Cc1ccc(N(CC)CC)cc1)C2=O 2324084576 SITCYILKECMGRU-UHFFFAOYSA-N 432.564 5.337 30 10 IKEE C=C(C)COc1c(OC)cc(C=CC(=O)c2cc(OCC)ccc2OCC)cc1OC 2324388678 LGGXFAZZZPISSJ-UHFFFAOYSA-N 426.509 5.352 30 10 IKEE Cc1cccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccccc4C)cc(C)c3C2=O)c1 2324412702 QDKPGHKAAZOJDT-LJQANCHMSA-N 427.500 5.634 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)c1OCc1cc(C)ccc1C 2324434012 AKWCYNPZPJGRRI-UHFFFAOYSA-N 434.963 7.057 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2324451412 IXHUFNNMGCIBEE-HNNXBMFYSA-N 449.890 5.371 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(F)cc2)C3=O)c(C)c1 2324493990 FIGCYRIUMQVFGF-QGZVFWFLSA-N 431.463 5.465 30 10 IKEE Cc1cccc(OCCOc2ccc3c(c2C)OC(=Cc2ccc(C(C)C)cc2)C3=O)c1 2324534946 RIXPCESLANPSGQ-UHFFFAOYSA-N 428.528 6.501 30 10 IKEE CC[C@H](C)Oc1cc(C)c2c(c1)OC(=Cc1cc(Br)cc3c1OCOC3)C2=O 2324718604 BCLOKDYZQQRUOC-ZDUSSCGKSA-N 445.309 5.418 30 10 IKEE CCCC[C@H](Oc1ccc2c(c1C)OC(=Cc1ccc(N(CC)CC)cc1)C2=O)C(=O)O 2324784493 DGLVHSQGRAABQR-QFIPXVFZSA-N 437.536 5.480 30 10 IKEE CCCC[C@@H](Oc1ccc2c(c1C)OC(=Cc1ccccc1Br)C2=O)C(=O)O 2324784573 VIZJGTRJWPSTTL-GOSISDBHSA-N 445.309 5.396 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCC(=O)Nc4ccc5ccccc5c4)cc(C)c3C2=O)c1 2324961522 KTNPKQILZGBCNS-UHFFFAOYSA-N 449.506 6.090 30 10 IKEE CC(=O)c1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C)o2)C3=O)cc1 2325440457 QHMAEKNLFXSVEP-KRWDZBQOSA-N 445.471 5.121 30 10 IKEE Oc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2Cl)cc1 2325489503 JTLLIKIQXWJSJT-UHFFFAOYSA-N 434.952 5.402 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(O)c(OCC)c1 2325512605 ODWRDAPFZGQSHE-UHFFFAOYSA-N 428.533 5.039 30 10 IKEE O=C(C=Cc1ccc(Cl)cc1Cl)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 2325589639 ZZWIJNWTJNJJKO-UHFFFAOYSA-N 446.717 6.660 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1OC(=O)c1ccccc1C 2325701233 WAIFONOTRCJBGU-UHFFFAOYSA-N 426.512 5.998 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC(=O)C34CC5CC(CC(C5)C3)C4)c2)cc1 2325712584 CBEMQYOPTXXDPR-UHFFFAOYSA-N 442.599 7.047 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(F)c(F)c3F)c2)cc1C 2325715067 WYPKOZNIVIFWDO-UHFFFAOYSA-N 426.390 5.536 30 10 IKEE CC(C)c1ccccc1NC(=O)COc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O 2325725997 JZYWNTLDCQLERH-UHFFFAOYSA-N 431.463 5.583 30 10 IKEE CCOc1cccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(Cl)c(Cl)c3)c2)c1 2325737477 IHUVRZOMDFNMNU-UHFFFAOYSA-N 441.310 6.507 30 10 IKEE CCc1ccccc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1cccc(C)c1)C2=O 2325737491 REQAZDMRLHXLNM-UHFFFAOYSA-N 427.500 5.500 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccccc1Cl)C2=O 2325737578 WAQCCHYHCBWRNA-UHFFFAOYSA-N 447.918 5.845 30 10 IKEE Cc1ccc2oc(=O)cc(COc3cc(C)c4c(c3)OC(=Cc3ccccc3C)C4=O)c2c1 2325741865 NPAHFIBOWDLNJI-UHFFFAOYSA-N 438.479 5.913 30 10 IKEE CCCCC1CCC(C(=O)Oc2cc(C=CC(=O)c3ccc(C)c(C)c3)ccc2OC)CC1 2325759843 NCGIXZYVZUYJKE-UHFFFAOYSA-N 448.603 7.110 30 10 IKEE O=C(Oc1cccc(C=CC(=O)c2cc(Cl)ccc2Cl)c1)c1ccc(Cl)cc1 2325773729 BHQYXQGKZURDQY-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE CSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1ccc(C(C)C)cc1 2325882600 FTDRNULTVOVXIR-UHFFFAOYSA-N 444.604 6.170 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1cccs1 2326323858 RRANVOWJZBIUKN-UHFFFAOYSA-N 426.611 5.464 30 10 IKEE C=C(C)CSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1c[nH]c2ccccc12 2328156080 XMTOLDUDGGDXRD-UHFFFAOYSA-N 435.641 6.774 30 10 IKEE CCCSc1nnc(CCc2cccc(OC)c2)n1N=Cc1ccccc1OC(C)C 2328652984 HUUCDBIJSXVJEF-UHFFFAOYSA-N 438.597 5.243 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccc(F)cc3)n2N=Cc2cccn2C)c(C)c1 2328880751 MXMFGFCUPJXAST-UHFFFAOYSA-N 449.555 5.126 30 10 IKEE Cc1ccc(CCc2nnc(SCc3cccc(F)c3)n2N=Cc2ccncc2)cc1C 2328936453 RYYBWHRWASSWDU-UHFFFAOYSA-N 445.567 5.389 30 10 IKEE Cc1ccc(C=Nn2c(Cc3ccc(C)c(C)c3)nnc2SCc2ccccc2)cc1 2329423949 KFZIEEIBNVPTAS-UHFFFAOYSA-N 426.589 5.969 30 10 IKEE Cn1cccc1C=Nn1c(SCc2cccc(Cl)c2)nnc1-c1ccccc1Cl 2329611284 LJYOFNZWMMRZNV-UHFFFAOYSA-N 442.375 5.765 30 10 IKEE COc1ccc(C=Nn2c(COc3ccccc3)nnc2SCc2ccccc2F)cc1 2329918688 PKZDDAZBICLOLM-UHFFFAOYSA-N 448.523 5.179 30 10 IKEE C(=Nn1c(CC2CCCCC2)nnc1SCc1cccc2ccccc12)c1ccc[nH]1 2330278915 WNZVSAPHTHJISZ-UHFFFAOYSA-N 429.593 6.057 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCSC)NC(=O)C=Cc1ccc(Cl)cc1 2330367096 UOJIXWVIEOMAQR-FQEVSTJZSA-N 425.038 5.068 30 10 IKEE Oc1ccccc1C=Nn1c(Cc2cccs2)nnc1SCc1ccccc1Cl 2330393376 XXJLDXGMYZNSOV-UHFFFAOYSA-N 440.981 5.464 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccccc3F)nnc2-c2ccccc2)cc1OC 2330672261 RZWIMPSLONMHKL-UHFFFAOYSA-N 448.523 5.276 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)cc2)c1 2330777244 SYMJNQKVSGPMFR-DHIUTWEWSA-N 432.903 5.954 30 10 IKEE CCc1ccc(C(=O)Oc2c(OC)cc(C=CC(=O)c3cccc(OC)c3)cc2OC)cc1 2330778043 OCKYZTUZJKBWNT-UHFFFAOYSA-N 446.499 5.390 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2[C@H]2CCCO2)cc1 2330951945 CBJXUGTYHSHLAJ-HSZRJFAPSA-N 449.624 5.459 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)Cc1ccc(C)c(C)c1 2331281655 AHGACCNXQQJJBY-UHFFFAOYSA-N 428.528 6.055 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc([N+](=O)[O-])c1OC(=O)CC(C)(C)C 2331325949 GLSKORNFIZGBNY-UHFFFAOYSA-N 439.508 5.848 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)c1ccncc1 2331329033 PWNNSPWGUQQLCO-UHFFFAOYSA-N 427.500 5.551 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1Cl 2331696085 OJCKYRKJOGFDNX-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE N#Cc1nc(-c2cccs2)oc1NN=Cc1cccc(OCc2cccc(Cl)c2)c1 2331938150 JSJSYJSRTHOYSC-UHFFFAOYSA-N 434.908 5.953 30 10 IKEE C=CCOc1ccccc1C=C1C(=O)N(c2ccccc2Cl)N=C1c1ccc(OC)cc1 2332114353 SQSLQXCGFQMGPI-UHFFFAOYSA-N 444.918 5.748 30 10 IKEE CC[C@@H](NC(=O)OC(C)(C)C)C(C)(C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339586214 BBVKLDHWHZFRNQ-GOSISDBHSA-N 446.397 5.187 30 10 IKEE CC1(C)CCC[C@@](C=O)(Cc2ccc(I)c(Br)c2)C1 2349920857 NBFYDLRXDAKNMR-MRXNPFEDSA-N 435.143 5.382 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C/c1c(Cl)cccc1Cl)C2=O)c1ccc(Cl)cc1 2417719 IJVLLSIISYVHLN-RGVLZGJSSA-N 445.685 6.482 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)nc(O)c1[C@H]2c1ccccn1 9781042 QMGDOYHVSKMPAY-FQEVSTJZSA-N 444.560 5.070 30 10 IKEE C=CCCC(=O)N1CCC(c2cn(Cc3ccc(C(F)(F)F)cc3)c3ccccc23)CC1 23331030 PMEAHJMNNKABIM-UHFFFAOYSA-N 440.509 6.381 30 10 IKEE Cn1cccc1/C=C1/S/C(=N\c2cccc(Cl)c2)N(c2cccc(Cl)c2)C1=O 27229827 DUYSCDJGEZLWET-ZFGFYEEASA-N 428.344 6.141 30 10 IKEE CCOc1ccccc1[C@@H]1C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)Nc2onc(C)c21 28052176 PQEBVYHGFABDDH-HJPURHCSSA-N 434.923 5.993 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1)c1ccc(-c2ccccc2)cc1 34954951 HVFLOPVCLLLYBV-GIJQJNRQSA-N 438.910 7.122 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)S/C1=N/c1nccs1 101127951 NKHBHPQXSRZRKY-ROGFPXQNSA-N 436.345 5.944 30 10 IKEE CCCCCCCCCCCn1c(C)c(C(N)=O)c(-c2cccc(F)c2)c1CCCCC 102448727 MWFWLCIPZFZQJO-UHFFFAOYSA-N 442.663 7.965 30 10 IKEE O=C(/C=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(NC(=O)c2ccccc2)cc1 110632368 LVLZFUDZTRNARB-PEZBUJJGSA-N 438.439 6.003 30 10 IKEE C=C(CC[C@@H](C)[C@H]1[C@H](O)C[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 137800721 TYAFBMTZMSJDIO-ZIRNNRPSSA-N 430.673 5.496 30 10 IKEE biogenic CCN1C(=S)N[C@@H](c2cc(Cl)c(OC)c(Cl)c2)C(C(=O)c2ccccc2)=C1C 169931694 MMYDPHPMBJMHAP-SFHVURJKSA-N 435.376 5.410 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccc(O)cc2)c1 169960113 WNQKYYWHLOSCAP-DEOSSOPVSA-N 427.500 5.409 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccc(O)cc1 169961776 JYLBHNJZNBBCIQ-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2ccc(O)cc2)cc1 169964861 XQBMPBPJSPTTMH-RUZDIDTESA-N 441.527 5.350 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(O)cc2)c1 169964979 PCLUWVNXDXTBAG-HSZRJFAPSA-N 447.918 5.441 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2cccc(Cl)c2)c1 169970138 VCFNLLRNOZOSLK-NRFANRHFSA-N 448.862 5.340 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2cccs2)cc1 169983931 DVCXGWDWAFUSLL-HXUWFJFHSA-N 441.455 5.208 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(C)cc2)=C(N(CC)CCc2ccncc2)C1=O 170077475 ORUMNYIUGYQBBF-UHFFFAOYSA-N 447.623 5.395 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@H]2c2ccc(C)o2)c1 170101748 ABDWFDDYUNCISM-QFIPXVFZSA-N 435.907 5.950 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2cccs2)c(C)c1 170160744 YZJRLHNOWGWEHV-FQEVSTJZSA-N 434.473 5.056 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1cccs1)c1c[nH]c2ccccc12 170166808 RQFPLUGDOIUKCF-NRFANRHFSA-N 432.476 5.147 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1ccccn1)c1cccc2ccccc12 170176959 XLARUWGHKAFVFS-HSZRJFAPSA-N 442.421 5.296 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC(C)C)c3)[C@H]2c2ccccc2)c1 170223976 JFUUBHHONDBIMW-RUZDIDTESA-N 441.527 5.813 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cc3cc(Cl)ccc3o2)=C(O)C(=O)N1C1CCCC1 170278549 WUWANXCKNQOSOD-JOCHJYFZSA-N 435.907 5.916 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@@H]1c1sccc1C 170319312 KXMWPHLQFJKFQI-OAQYLSRUSA-N 441.593 5.957 30 10 IKEE COc1ccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(OCC(C)C)cc2)cc1 170427913 SUWBJRPOQMKEPW-QFIPXVFZSA-N 437.536 5.245 30 10 IKEE C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@@H](C)/C=C/C[C@@](C)(O)CC)C[C@@H](O)C[C@@H]1O 206404267 RQYBOLUOBVMUJB-NSJUJOHBSA-N 428.657 5.871 30 10 IKEE CCCCN1C(=O)/C(=C2/Sc3ccccc3N2CC)SC1=Nc1ccc(O)cc1 254483202 XEBCQHSAPWWVHE-BZMHFZIGSA-N 425.579 5.557 30 10 IKEE CC(=NOCc1ccccc1C)c1cc(-c2ccc(F)cc2)n(-c2ccccc2F)c1C 254741729 KMTRVHAUZQJQBN-UHFFFAOYSA-N 430.498 6.980 30 10 IKEE Cc1ccsc1[C@H]1C(c2ccc(OCC(C)C)cc2)=C(O)C(=O)N1c1cccc(C#N)c1 526515200 HGUOZJFSMUWKQK-HSZRJFAPSA-N 444.556 6.020 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccc(F)c2)c1 526605606 XZEQWWAZTRBPDT-XMMPIXPASA-N 428.463 5.543 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1ccccc1F 526824349 WNRABKBYLHLDDH-MSXFZWOLSA-N 437.371 6.241 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)Nc3cc(C)ccc3C)C2)c1 585880219 MGIASMKADPQIFD-QHCPKHFHSA-N 448.611 5.567 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(CCCC#N)c2ccc(CCCC)cc2)cc1 586231887 XJPLJLOJZPOZPS-UHFFFAOYSA-N 440.653 6.651 30 10 IKEE C[C@H]1N(C(=O)OC(C)(C)C)CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 698882561 DYAXSVONSCECLM-WAIKUNEKSA-N 449.979 5.763 30 10 IKEE C[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)CN1Cc1ccccc1 698900357 FMYQJUAXGFGTQG-KOSHJBKYSA-N 425.960 5.638 30 10 IKEE C=CCCCCC[C@@H](NCCC)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 702455398 ARMDOKGXSZUHRB-RPWUZVMVSA-N 431.665 5.516 30 10 IKEE C#CCNC(=S)/C(=C(/O)c1cccc(C(F)(F)F)c1)[n+]1ccc(C(CC)CC)cc1 783694529 JFWXMHOHCMCCQK-UHFFFAOYSA-O 433.519 5.331 30 10 IKEE Cc1ccc(NS(=O)(=O)c2ccc(N=Cc3cc(Cl)cc(Cl)c3O)cc2)c(C)c1 1084025250 PFNNFXYPQMYXBA-UHFFFAOYSA-N 449.359 5.867 30 10 IKEE Cc1cc(C)c(NS(=O)(=O)c2ccc(N=Cc3cccc(Cl)c3Cl)cc2)c(C)c1 1084171930 SKDCYVXBXFSPLM-UHFFFAOYSA-N 447.387 6.470 30 10 IKEE O=C(Oc1ccc2ccccc2c1C=Nc1ccccc1)c1sc2ccccc2c1Cl 1084374522 XTPJMUMUSKFADC-UHFFFAOYSA-N 441.939 7.678 30 10 IKEE CCc1ccc(N=C2S/C(=C/c3ccc(Cl)cc3)C(=O)N2c2ccc(CC)cc2)cc1 1084510870 CCVCABMEVNYXQS-KISRHMMLSA-N 447.003 7.273 30 10 IKEE C=CCN1C(=O)/C(=C(/C)c2ccc(Br)cc2)SC1=Nc1cccnc1Cl 1772732959 HZZGAXMPXUQXND-ONNBZHDSSA-N 448.773 5.678 30 10 IKEE COc1ccc(/C=C2\SC(=Nc3nc(C)cs3)N(C3CCCCC3)C2=O)cc1OC 1772734962 DYVMJJOKAAKLCB-PNVGRYOSSA-N 443.594 5.405 30 10 IKEE COc1ccc(/C(C)=C2/SC(=Nc3nc(C)cs3)N(C3CCCCC3)C2=O)cc1 1772737990 NBOPTGSISIEGSQ-VBBMDASPSA-N 427.595 5.787 30 10 IKEE C=CCOc1ccccc1/C=C1/SC(=Nc2nc(C)cs2)N(c2ccccc2)C1=O 1772738406 NXNHLYMKVVTIPN-SKYIDQJDSA-N 433.558 5.825 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc(NC(=O)c3cccc(C#N)c3)cc2)cc1Cl 1860159743 NMSGWDFNZLAJNI-INIZCTEOSA-N 433.895 5.178 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)c1ccc(OC)cc1OC)[C@@H](C)CC 1861063003 GAUDKPJBCJZISW-CVDCTZTESA-N 434.621 5.105 30 10 IKEE CCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)c1c(Cl)ccc(Cl)c1Cl 1861145806 WHKFZJYVKTTWPU-HXUWFJFHSA-N 435.823 6.022 30 10 IKEE CCCCCCCCCCNC(=O)CNC(=O)c1ccc2nc(-c3cccc(C)c3)[nH]c2c1 1861439344 TYRFXELMFURNOQ-UHFFFAOYSA-N 448.611 5.525 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2cccc3ccccc23)cc1 1862396172 FJLFKWFAPVYAMM-AFMDSPMNSA-N 441.571 6.559 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCCc2ccccc2)[C@@H]1c1ccccc1)c1ccccc1Cl 1862429261 JGHOCWLZZXWBMJ-XMMPIXPASA-N 445.946 5.941 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(C(C)C)cc1 1862447744 XIAULSQHYZFRES-JOCHJYFZSA-N 425.956 6.088 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1cccc2ccccc12)c1ccc(Br)cc1 1862471237 HBTUCASFSVLCHA-OAQYLSRUSA-N 448.316 5.343 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2cccc(C)c2)cc1 1862475233 HGYGNLJMYOZWEO-VWLOTQADSA-N 425.528 5.515 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccccc2C(=O)O)cc1 1862477029 HSJAZGQXUPVKIC-QHCPKHFHSA-N 447.531 5.384 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@H]2c2cccc(Cl)c2)cc1 1862477187 TWVLPYBKVNORNT-QHCPKHFHSA-N 447.918 5.306 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2ccc(N(C)C)cc2)cc1 1862477763 RFSLMSYKMWEKGZ-VWLOTQADSA-N 440.543 5.148 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccccc1 1862543867 QEPFQRZXBOAJMD-RSXGOPAZSA-N 445.603 6.503 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(OC)cc1 1862557965 RVZSBELBNVRTQB-REWPJTCUSA-N 436.552 5.215 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1F 1862583692 ILSJEPPCMNCLOW-XTZNXHDOSA-N 440.273 5.648 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1ccc(C(C)C)cc1 1862640490 PPMSLAJSJVOTEM-HSZRJFAPSA-N 439.527 5.726 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)cc2)cc1 1862662649 JXYPMKCUKDDHAL-QHCPKHFHSA-N 446.934 5.637 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(F)cc2)cc1 1862663800 WZEJOYZPADAKBP-JOCHJYFZSA-N 435.520 5.789 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(N(C)C)cc2)cc1 1862664201 GKRJDIOUSVHEHM-XMMPIXPASA-N 444.531 5.248 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccc(OCCC)c1 1862668505 AJDMBJNCMNHLBG-VWLOTQADSA-N 449.591 6.367 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862668772 HFFOOBQONBZSRX-FQEVSTJZSA-N 429.438 5.593 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 1862676384 IEFDWORYZPIEIH-NRFANRHFSA-N 438.455 5.035 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc2cc[nH]c2c1 1862679016 UCJIPBYRGKTEKD-XUZZJYLKSA-N 448.538 6.244 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@H]2c2ccccc2)c1 1862698305 GASGZRKKCMFVTD-QFIPXVFZSA-N 433.891 5.127 30 10 IKEE Cc1cc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3cccs3)C2=O)ccc1C(C)C 1863113107 RJKIZGHLCGCFJF-UHFFFAOYSA-N 427.529 5.448 30 10 IKEE N#Cc1ccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(C3CCCCCCC3)C2=O)cc1 1863173827 RPMMDXYTBNZRPU-UHFFFAOYSA-N 433.939 5.517 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2C#N)=C(c2ccccc2[N+](=O)[O-])C1=O 1863245876 KKGWEAPVXSXMJE-UHFFFAOYSA-N 446.507 5.019 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C(=O)OC)cc2)=C(c2cccs2)C1=O 1863474038 VOTZRHKEKUJQIG-UHFFFAOYSA-N 440.565 5.087 30 10 IKEE CCCCCCCCCCNC1=C(c2cc(C)ccc2C)C(=O)N(CCCCCO)C1=O 1863742708 AYNFJAVVQXAKSX-UHFFFAOYSA-N 442.644 5.276 30 10 IKEE CCCc1nc(Nc2ccc(C#N)cc2)cc(N2CCC[C@H]2c2nc3ccccc3s2)n1 1868401341 WSMODBRBIMHKIW-FQEVSTJZSA-N 440.576 5.996 30 10 IKEE C=CCn1cc(OCc2c(Cl)cccc2Cl)c(=O)cc1CSc1ncccn1 1870163762 USXUFBMSEKCPOR-UHFFFAOYSA-N 434.348 5.002 30 10 IKEE CCCOc1cn(Cc2ccccc2)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870180305 ZBEMVYLEGOTJLD-UHFFFAOYSA-N 433.577 5.170 30 10 IKEE CCCCCCCOc1cn(CCCC)c(CN(CC)CCc2ccncc2)cc1=O 1870409198 LIGFQVLOYTUONU-UHFFFAOYSA-N 427.633 5.457 30 10 IKEE C=CCn1cc(OCc2cccc3ccccc23)c(=O)cc1CN(CCCC)CCCC 1870486152 IFXYOOUCNQWVCA-UHFFFAOYSA-N 432.608 6.169 30 10 IKEE CCCCCCCCn1cc(OCCCC)c(=O)cc1CNc1cc(Cl)ccc1C 1871111213 YJIBOCRJHNHWPD-UHFFFAOYSA-N 433.036 6.962 30 10 IKEE CCCCOCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(C(C)C)cc1)C3=O 1871350891 YSOUKXGCOMGSNO-XYGWBWBKSA-N 449.591 6.093 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc4c3CN(C35CC6CC(CC(C6)C3)C5)CO4)C2=O)c1 1871352941 IRROHDJXBACMHU-GATIEOLUSA-N 443.543 5.432 30 10 IKEE Cc1cc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)ccc1[N+](=O)[O-] 1871373616 PSEJJSZSYBGZRU-NHDPSOOVSA-N 435.819 5.392 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc([N+](=O)[O-])c(C)c4)c3C)C2=O)cc1 1871373932 WAMBADKEESXGCZ-XKZIYDEJSA-N 429.428 5.355 30 10 IKEE Cc1cc(OC(=O)c2cccc([N+](=O)[O-])c2)cc2c1C(=O)/C(=C/c1cccc(Cl)c1)O2 1871374212 XWQWIDMOUUQJTA-JMIUGGIZSA-N 435.819 5.392 30 10 IKEE CCCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2cccnc2)C3=O)cc1 1871378543 RSQCMWRHZBQEAR-OLDMSSOPSA-N 427.456 5.105 30 10 IKEE CCCOc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)c1 1871388204 YYAFAHGNVBXNSW-KIKGYRQASA-N 440.495 6.175 30 10 IKEE Cc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(N(C)C)cc1)C2=O 1871403883 CCFBFEGXCQEHNA-AOBKZXEFSA-N 442.515 5.083 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4C)cc(C)c3C2=O)cc1 1871409504 PNAQJYRSIYSQFM-QETRNLNESA-N 441.527 5.888 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OCCOc3cccc4ccccc34)cc(C)c2C1=O 1871415634 MDHBXYKDAZBLPS-PKAZHMFMSA-N 436.507 6.531 30 10 IKEE Cc1cc(OCc2ccc(C#N)cc2)cc2c1C(=O)/C(=C/c1ccccc1Br)O2 1871417631 NGZFWBZMNCQYHM-JJFYIABZSA-N 446.300 5.824 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1ccc2c(c1C)O/C(=C\c1sccc1C)C2=O 1871424652 QYWBQCOAMGKVAM-BKUYFWCQSA-N 447.556 5.869 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)Nc2ccc(C#N)cc2)cc2c1C(=O)/C(=C/c1cccc(F)c1)O2 1871436091 MFSOCCWIRNOKCX-GGNAWJQTSA-N 442.446 5.028 30 10 IKEE CCOc1ccccc1Oc1c(C)oc2cc(OCc3ccccc3C#N)ccc2c1=O 1871436547 FCBCPDPHFJQTFI-UHFFFAOYSA-N 427.456 5.743 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(F)c(Cl)c2)ccc2c1O/C(=C\c1ccccc1)C2=O 1871441212 FENYDTARNWUYKH-NHDPSOOVSA-N 437.854 5.421 30 10 IKEE COc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871456876 BSDCICLLTMFSBX-XKZIYDEJSA-N 449.890 5.291 30 10 IKEE CCc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(Cl)c(Cl)c3)n2)cc1 1872761725 UGAZMLXVRWASEU-BHMZLHOFSA-N 427.356 6.569 30 10 IKEE N#C[C@@H](C(=O)C(c1ccccc1)c1ccccc1)c1nc(-c2cccc(Cl)c2)cs1 1872767700 YITYFOMKJSROIC-NRFANRHFSA-N 428.944 6.472 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccccc3C(C)C)n2)cc1 1872769978 FKEAWWNUJNDFLK-AVRDEDQJSA-N 448.588 6.366 30 10 IKEE C=CCN(CC=C)C(=O)c1ccc2nc(CCCOc3ccc(C(C)(C)C)cc3)[nH]c2c1 1872795516 IUERAOGLFMNFNX-UHFFFAOYSA-N 431.580 5.686 30 10 IKEE CCCCCCCCNC1=C(c2cccc(Br)c2)C(=O)N(CCCCC)C1=O 1873054847 FTQCFISNINVARI-UHFFFAOYSA-N 449.433 5.669 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2OCC(C)C)=C(c2cccc3ccccc23)C1=O 1873183831 UACGXEPOYYIQFF-UHFFFAOYSA-N 426.516 5.253 30 10 IKEE C=C(C)CSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1ccccc1C(=O)O 1874288088 NFEQEFZQYQVGEX-MFKUBSTISA-N 440.613 5.991 30 10 IKEE CCSc1nnc(CCc2ccc(OC)cc2)n1/N=C/c1c(Cl)cccc1Cl 1874306741 NEEWTSAKMKWZKF-YDZHTSKRSA-N 435.380 5.373 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2/N=C/c2ccc(O)cc2)c1 1874357146 SFCFKZDFGSCKNB-JVWAILMASA-N 442.588 5.674 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3C)n2/N=C/c2cccs2)cc1 1874359847 BQPTXCLIWOTJSA-PCLIKHOPSA-N 432.618 5.916 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CCc3cccs3)nnc2SCC)cc1OC 1874370617 JHURCWVTANBYQZ-XQNSMLJCSA-N 444.626 5.307 30 10 IKEE COc1cc(/C=N/n2c(Cc3ccc(C)cc3)nnc2SCc2ccccc2)ccc1O 1874389195 KOMGGXAGMVIOGP-WGOQTCKBSA-N 444.560 5.066 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C/c2cccc(Cl)c2)cc1 1874396145 AQEXPHFBBGRMHJ-WPWMEQJKSA-N 447.007 6.200 30 10 IKEE Cc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccccc2Cl)cc1 1874408148 JDHUIPKWJUDUDO-WGOQTCKBSA-N 439.028 6.537 30 10 IKEE C=C(C)CSc1nnc(-c2cccs2)n1/N=C/c1ccc(OCC)c(OCC)c1 1874422570 TULNIMUSWDCXMP-LPYMAVHISA-N 428.583 5.354 30 10 IKEE Oc1cccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2-c2ccccc2)c1 1874430167 VUIAJEUKLAZUQD-DHRITJCHSA-N 438.915 5.618 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1/N=C/c1ccc(N(CC)CC)cc1 1874476960 BTKLOUXONWBAAW-NLRVBDNBSA-N 435.641 5.950 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CCCC)nnc2SCc2cccc(F)c2)cc1 1874477008 DVDIFUGTUJBEAM-YZSQISJMSA-N 440.588 6.113 30 10 IKEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(C)cc3C)nnc2C(C)(C)C)cc1 1874486738 ILXUPCMCOPJZKZ-AFUMVMLFSA-N 435.597 5.114 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2ccccc2)cc1 1874489782 KKOPFYBHCVRYFV-NLRVBDNBSA-N 436.625 6.220 30 10 IKEE Cc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(Br)cc1 1874533941 JQQKCXHMBWPIML-ZVBGSRNCSA-N 439.741 5.316 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(C(C)C)cc2)c1OCC(=O)OCC(C)C 1874583171 AEUWODHIWKMMED-ZHACJKMWSA-N 444.955 5.946 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C(C)C)cc2)c1OCC(=O)Nc1ccccc1F 1874583734 DFDYXRZYGUOBFW-FOCLMDBBSA-N 447.506 5.871 30 10 IKEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(F)c(F)c1)Nc1ccc(F)cc1 1874584764 FPBXMVYGDWUJFU-XNWCZRBMSA-N 445.824 5.671 30 10 IKEE Cc1ccc(NC(=O)COc2cccc(/C=C/C(=O)c3ccc(-c4ccccc4)cc3)c2)cc1 1874592952 KOOOHORHKTYBCF-XDHOZWIPSA-N 447.534 6.576 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OCc1c(F)cccc1Cl 1874603492 QEANNYYIMFPMBG-UKTHLTGXSA-N 446.905 7.116 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OCc1cccc(Cl)c1 1874629172 PKVLHSLORDSCKW-ZRDIBKRKSA-N 448.990 7.447 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)c(C)c1 1874634282 UHVDRUBMTBLUED-PKNBQFBNSA-N 433.935 6.179 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2)cc1OC(=O)c1cccc(Br)c1 1874700818 OLONRLLUWJILLO-ZRDIBKRKSA-N 437.289 5.573 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2cccc(OC(=O)CSc3ccccc3)c2)cc1 1874707852 ZRFQQUDNXQHWCL-SFQUDFHCSA-N 430.569 6.578 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OC(=O)C12CC3CC(CC(C3)C1)C2 1874710373 YYENFTVSCXIWHN-KRXBUXKQSA-N 434.507 5.852 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)c2cc(C)cc(C)c2)c1 1874715428 SQOWAIGQEXANFO-CMDGGOBGSA-N 434.919 6.389 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1OC(=O)c1cccc(C)c1 1874715920 SINMJURIEPGROK-SDNWHVSQSA-N 442.555 6.725 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1 1875104691 JXLNWAIOHHMYSL-LFIBNONCSA-N 433.375 7.546 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3Cl)c(Cl)c2)cc1C 1875107172 DNWIKUUOGZAYRJ-JXMROGBWSA-N 441.310 6.426 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)COc1cccc(C)c1C 1875119706 ISLXQJGIRYZZEY-WYMLVPIESA-N 446.499 5.201 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)Cc1ccc(OC)cc1OC 1875128332 CPXRQRRHUKMOOG-GXDHUFHOSA-N 446.499 5.147 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)[C@H](C)c1ccccc1 1875134335 XLUMYSFLYTVQMX-FFXXTYGZSA-N 428.528 6.307 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3F)c([N+](=O)[O-])c2)ccc1F 1875141581 KVAFNTBZBLKSGS-UXBLZVDNSA-N 437.398 5.226 30 10 IKEE O=C(Cc1ccc(Br)cc1)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1 1875157754 NFMUEZJJPBWEKZ-LHHJGKSTSA-N 439.280 5.632 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)cc3)cc2)cc1C(C)C 1875163724 ZDERPAUVJZUZPC-NTEUORMPSA-N 446.518 6.310 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)cc1C 1875175874 KZYMABNAQYVZPR-KPKJPENVSA-N 439.338 6.654 30 10 IKEE C=C(c1ccccc1)[C@H](NC)c1cc(Br)ccc1I 1888690089 VXMZOPDULIENTN-INIZCTEOSA-N 428.111 5.028 30 10 IKEE CCCCCCCCCC[C@H](O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1947500568 UKXUGYKMRXAKLI-ZEQRLZLVSA-N 435.649 6.378 30 10 IKEE Cc1cc(C#N)cc([C@](C)(CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 1952063651 CQVPRWOFKRFCGO-MHZLTWQESA-N 440.499 5.095 30 10 IKEE CC[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1C 2014646023 MNXRXYSFQVEGDE-CYFREDJKSA-N 429.561 5.418 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2 2017181984 ULGXCYMYTFPXGF-VJBWXMMDSA-N 428.617 5.211 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@]1(C)CCCN1C(=O)OC(C)(C)C 2020804077 MEDWOZRJMALTLH-YADARESESA-N 429.561 5.418 30 10 IKEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(C)sc(C)c1Br 2027395883 ROKCGWOTXKWGQQ-YOEHRIQHSA-N 429.424 5.085 30 10 IKEE CC[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2OC)CN1Cc1ccccc1 2029749254 BYZYTAOQFSLVRJ-RLWLMLJZSA-N 435.568 5.384 30 10 IKEE CC(C)(C)OC(=O)NCC1CCC(C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)CC1 2030039987 LSTXXRXDGUQFJY-UHFFFAOYSA-N 447.551 5.544 30 10 IKEE COc1cc(C=CC(=O)c2c(C)nn3c4ccccc4n(C)c23)cc(Cl)c1OC(C)C 2040488325 OQQUIKPMQKEFJH-UHFFFAOYSA-N 437.927 5.480 30 10 IKEE O=C1N[C@@](c2ccccc2)(C(F)(F)F)SC(=NC2CCCCC2)N1C1CCCCC1 2053528075 QXPCMONMGSTKOM-OAQYLSRUSA-N 439.547 6.182 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2)NCCC 2054642097 ZWJXPKMXDLBSAA-HJOGWXRNSA-N 442.644 5.601 30 10 IKEE C=C(c1ccccc1)[C@H](NC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2076577301 WLVVJKXAKBEUSD-IGKIAQTJSA-N 436.596 5.132 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@@H](C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2077948323 RNZKLNJFBSIGAI-OALUTQOASA-N 447.551 5.495 30 10 IKEE Cc1cc(C)c([C@H](C2CCC2)n2nc(C(F)(F)F)c(C=NO)c2Br)c(C)c1 2079857698 DNOGPICKTNKFOL-INIZCTEOSA-N 444.295 5.787 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1n1nc(C2CCCCC2)c(C#N)c1Br 2080311495 NJQPLZHBFMBBMQ-INIZCTEOSA-N 437.382 5.485 30 10 IKEE Oc1c2c(nc3c(-c4cc(F)ccc4C(F)(F)F)c(C(F)(F)F)nn13)CCCCC2 2081512827 NECDYRDNIUPMIE-UHFFFAOYSA-N 433.327 5.548 30 10 IKEE N#Cc1cnc2c(-c3ccc(F)c(Br)c3)c(C3CCCCC3)nn2c1Cl 2081557454 FFMZDSZZGKBEJE-UHFFFAOYSA-N 433.712 5.871 30 10 IKEE CCCCCC#CC[C@H](NCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2083443517 RQHSOSPMJCHBCB-IGKIAQTJSA-N 441.660 5.108 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)cccc1Br 2116846036 WOMPISGLQCFDHV-WMZOPIPTSA-N 429.374 5.488 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)C1(C#N)C[C@@H]2CC(F)(F)C[C@H]2C1 2160228780 HARNPDUORPJSMU-ZIAGYGMSSA-N 441.316 5.908 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(Nc3ccc(Br)cc3C#N)CCCCC[C@H]12 2162340748 CDXMKARSZPPVSJ-RXVVDRJESA-N 434.378 5.445 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](Nc2cc(Br)cc(F)c2C#N)[C@@H]2CCCC[C@@H]21 2179395836 ORPLHMWEOLTPLW-KKXDTOCCSA-N 438.341 5.050 30 10 IKEE CN[C@@H](C#Cc1cccc(Cl)c1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2212499699 UWIGHUUVDODOSH-HSZRJFAPSA-N 426.988 5.497 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Br)cc([C@@H](O)C#Cc2ccc(Cl)cc2)c1 2231008912 NKNZUVSUGBNMSC-SFHVURJKSA-N 436.733 5.535 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H](C(C)(C)C(=O)C#Cc2ccccc2Br)C1 2235735125 YYCUFNDHGOFWNG-QGZVFWFLSA-N 434.374 5.043 30 10 IKEE C=C1CCC(CC(=O)[C@H](Cc2ccc(Br)cc2)NC(=O)OC(C)(C)C)CC1 2237417179 MELCAENWCGQSQY-IBGZPJMESA-N 436.390 5.591 30 10 IKEE C=C1CC(C[C@H](NCC)[C@H](Cc2ccccc2Br)NC(=O)OC(C)(C)C)C1 2237429112 XSIOXPJVTFZQDS-PMACEKPBSA-N 437.422 5.219 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)cc1CC 2237549648 IIFDCXSBUBABMG-VQTJNVASSA-N 439.438 5.912 30 10 IKEE C=CCC[C@H](C)[C@H](NCC)[C@](C)(O)c1cc(Br)c(Br)s1 2281280724 AYDGJDYKJCYYTP-VZJVUDMVSA-N 425.230 5.061 30 10 IKEE CCCCCCCCOc1ccc(C=C2SC(=S)N(CCCC(=O)O)C2=O)cc1 2296013969 IBGWKDNLDLBHBC-UHFFFAOYSA-N 435.611 5.492 30 10 IKEE O=C(Oc1ccc(Br)cc1C(=O)C=Cc1ccccc1Cl)c1ccco1 2296761513 YRDUOAPDUSVMOY-UHFFFAOYSA-N 431.669 5.811 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3cc(OCc4ccc(C)cc4)ccc3C1=O)cn2C 2296871217 DMUGLWRDOVUJHV-UHFFFAOYSA-N 425.484 5.691 30 10 IKEE Cc1ccc(CN2c3ccccc3C(=O)C(=CNc3cccc(Cl)c3)S2(=O)=O)cc1 2297375458 MKKAOHKLYVIWRW-UHFFFAOYSA-N 438.936 5.135 30 10 IKEE Cc1cc(Br)ccc1-c1ccc(C=CC(=O)n2cc(C#N)c3ccccc32)o1 2314014286 NTIBJJRWYZMYIO-UHFFFAOYSA-N 431.289 6.198 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Br)cc2)ccc1OC(=O)c1ccccc1 2314430092 WBVYCBTZOBMOHM-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE CCN1C(=O)C(=Cc2ccc(C(=O)OC)cc2)SC1=Nc1nc(-c2ccccc2)cs1 2314543543 GUCSEAKTEOFRKS-UHFFFAOYSA-N 449.557 5.221 30 10 IKEE CCCCOc1ccc(C=Nn2c(CC)nnc2SCc2cccc(C)c2)cc1OC 2320964772 NGBAJSLDEFYZJH-UHFFFAOYSA-N 438.597 5.511 30 10 IKEE CCn1cc(C=C2Oc3c(ccc4c3CN(C3CCCCC3)CO4)C2=O)c2ccccc21 2322016348 BDIMKKGHEBYQJK-UHFFFAOYSA-N 428.532 5.762 30 10 IKEE COc1cccc(CCc2nnc(S)n2N=Cc2cccc(Oc3ccccc3)c2)c1 2322071823 SZHRKAFQRYJOIW-UHFFFAOYSA-N 430.533 5.035 30 10 IKEE CCOc1c(Br)cc(Br)cc1C=CC(=O)c1ccc(CC)cc1 2322356771 QVLWNTHNICTZBG-UHFFFAOYSA-N 438.159 6.069 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Cl)ccc2OCc2c(Cl)cccc2Cl)c1 2322371949 GQKXMOUVFITSDF-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE O=C(C=Cc1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 2322580305 BZRWXKTXTKCRCO-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE CC(C)COC(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccc2c(c1)OCO2 2322698736 DARIYHOLYCETMY-UHFFFAOYSA-N 432.472 5.043 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2c(OCC(=O)OCC(C)C)ccc3ccccc23)c1C 2322840658 DDRKZALPDIEERT-UHFFFAOYSA-N 444.571 6.548 30 10 IKEE CCOc1cc(C=NNc2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc(Cl)c1 2322969243 ALKSZPPUTJMLIN-UHFFFAOYSA-N 425.872 5.672 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2cccc(OCc3ccc(Cl)c(Cl)c3)c2)c1C 2323259452 HZTOHWJFFMAIDY-UHFFFAOYSA-N 439.382 7.702 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc(C)c3C2=O)c1 2323302612 BTZAPWLKBXHBPG-UHFFFAOYSA-N 449.846 5.700 30 10 IKEE CCCCCCCCNC(=O)[C@H]1CCCN1C(=O)C=Cc1ccc(Cl)cc1Cl 2323341715 FDRSLCMSGOCBLT-HXUWFJFHSA-N 425.400 5.474 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCC(=O)OCC(C)C)c([N+](=O)[O-])c2)cc1 2323540576 WDMJWFOOJGIKDK-UHFFFAOYSA-N 439.508 5.412 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(OC)c1OCc1ccc(C)cc1 2323985377 MHRIOKCFDSKCIM-UHFFFAOYSA-N 430.519 6.655 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccc(C)cc4)c3C)C2=O)cc1 2324373386 LTRAZYCJWVEQJU-SFHVURJKSA-N 443.499 5.334 30 10 IKEE COc1cc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3C)cs2)cc(OC)c1OC 2324522174 YLMIRRAXIVNLSK-LJQANCHMSA-N 448.544 5.342 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OCc1cccc(F)c1 2324547681 RRTBRUVVRISZLW-UHFFFAOYSA-N 434.507 6.243 30 10 IKEE O=C1C(=Cc2c(F)cccc2Cl)Oc2cc(OCCCCOc3ccccc3)ccc21 2324574734 BKSKFVOBTAQOEV-UHFFFAOYSA-N 438.882 6.333 30 10 IKEE COc1ccccc1C=C1Oc2cc(OCCCCOc3ccccc3C)ccc2C1=O 2324595487 PHSULNKCCRXHFL-UHFFFAOYSA-N 430.500 5.858 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)cc(Br)c1OCC 2324665900 UJZBFYWNNFKPPT-UHFFFAOYSA-N 444.152 6.449 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(OC)c2OC)cc(OC)c1OCCC 2324725560 KRLZBXHWVBRXHX-UHFFFAOYSA-N 426.509 5.134 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCCC(=O)Nc4ccc(C)cc4)c3C)C2=O)cc1 2325227404 PIOGXQLWXKQITB-UHFFFAOYSA-N 443.499 5.336 30 10 IKEE CCN(Cc1ccccc1)c1ccc(C=Nn2cnnc2SCc2ccccc2)cc1 2325651917 VQQKETVUISUGRG-UHFFFAOYSA-N 427.577 5.479 30 10 IKEE Cn1c(C(=O)Oc2cccc(C=CC(=O)c3ccc4ccccc4c3)c2)cc2ccccc21 2325700811 KTCXODYESLKGEQ-UHFFFAOYSA-N 431.491 6.447 30 10 IKEE O=C(CSc1ccccc1)Oc1cccc(C=CC(=O)c2ccc(Cl)cc2Cl)c1 2325709796 GJTBISKAXHTPBC-UHFFFAOYSA-N 443.351 6.587 30 10 IKEE CCCCc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2sccc2C)C3=O)cc1 2325719498 KFQUMYYNEUWGKK-UHFFFAOYSA-N 447.556 6.033 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1OC(=O)Cc1ccc(F)cc1F 2325727271 VIFKNNSKLUWIHY-UHFFFAOYSA-N 442.845 5.671 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OC(=O)Cc1cc(C)ccc1C 2325739878 YWYAVYOINFCZGP-UHFFFAOYSA-N 428.528 5.973 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(C)cc3)c2)cc1C(C)C 2325753978 JLFDABUBLOPCAS-UHFFFAOYSA-N 442.555 6.480 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccccc3)c2)c1 2325757956 OZCQYTFRVSFVIR-UHFFFAOYSA-N 446.499 5.608 30 10 IKEE COc1cc(C(=O)C=Cc2cccc(OC(=O)c3cncc(C)c3)c2)c(OC)cc1Cl 2325759154 LHMSXSGJJWBCIJ-UHFFFAOYSA-N 437.879 5.176 30 10 IKEE C=CCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1N=Cc1cccs1 2325820914 QNWQKQXRPAHUMC-UHFFFAOYSA-N 442.610 5.385 30 10 IKEE C=CCSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1ccccc1OC 2326398559 RXPWFRLWQFEQGC-UHFFFAOYSA-N 436.581 5.075 30 10 IKEE C=CCSc1nnc(Cc2ccc(OC)c(OC)c2)n1N=Cc1cccc2ccccc12 2326766403 SRPAPBZCIQRHKY-UHFFFAOYSA-N 444.560 5.200 30 10 IKEE Cc1cccc(CSc2nnc(CC34CC5CC(CC(C5)C3)C4)n2N=Cc2ccc[nH]2)c1 2326890881 MDAMSKZRTPHSLW-UHFFFAOYSA-N 445.636 5.848 30 10 IKEE CCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccc(OCC)cc1 2326932873 BRRHXYRSKDPCEP-UHFFFAOYSA-N 438.641 5.820 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccc(OC)cc1 2327546838 HXVFYCNGRGIJQS-UHFFFAOYSA-N 428.945 5.070 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccccc3Cl)n2N=Cc2ccc[nH]2)c1 2327622709 XEPYYNUOGBFCLZ-UHFFFAOYSA-N 437.956 5.322 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccco1 2329488636 VHRIZBYOLIUBJB-UHFFFAOYSA-N 436.968 5.793 30 10 IKEE C=C(C)CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1c(Cl)cccc1Cl 2330103739 ZIVMNENZFYTOBY-HNNXBMFYSA-N 431.392 6.287 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)C=Cc1ccc(OC)cc1 2330110853 PGALTZVAKIMOAJ-DEOSSOPVSA-N 430.633 5.640 30 10 IKEE CSc1nnc(Cc2ccccc2)n1N=Cc1ccccc1OCc1ccccc1Cl 2330450603 JQMLXGDWPHBDGF-UHFFFAOYSA-N 448.979 5.705 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3cccc(C)c3)c(OC)c2)cc1 2330736975 KXZNAXDKCMPZJL-UHFFFAOYSA-N 434.919 6.335 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)ccc1OC(=O)c1ccc(N(C)C)cc1 2330794957 FKMSHVJBBGXMFX-UHFFFAOYSA-N 445.515 5.275 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(CCCC)cc2)cc1OC 2330824490 ZEGGLCYHDUCASX-UHFFFAOYSA-N 428.956 6.683 30 10 IKEE Cc1cccc(CSc2nnc([C@H]3CCCO3)n2N=Cc2ccc(C(C)(C)C)cc2)c1 2330920379 LTRXEJHRNOUYAX-JOCHJYFZSA-N 434.609 5.910 30 10 IKEE CN(C)c1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2[C@@H]2CCCO2)cc1 2330999141 GUFFPASPBJXKCN-FQEVSTJZSA-N 441.988 5.024 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C2CCCC2)c1 2331104302 FGZSWCXRNYNALE-UHFFFAOYSA-N 444.963 5.917 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2[N+](=O)[O-])c1 2331146827 AMUASMDVZNYCMX-UHFFFAOYSA-N 435.863 5.980 30 10 IKEE C[C@@H](C(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-])c1ccccc1 2331149799 UIPHMNMHMZVNCE-MRXNPFEDSA-N 435.863 5.853 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2OC)cc1 2331158107 RUGJGVYUWMHPRN-UHFFFAOYSA-N 448.946 6.345 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccco3)n2N=Cc2c(F)cccc2Cl)c1 2331211156 FMOTZFHONUBJCZ-UHFFFAOYSA-N 440.931 6.122 30 10 IKEE Cc1cccc(C)c1OCC(=O)Oc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1 2331412601 OAYXQILBNUIUFM-UHFFFAOYSA-N 442.555 6.481 30 10 IKEE COc1ccc(C=Nn2c(CC(C)C)nnc2SCc2ccc(Cl)cc2)cc1O 2331467545 BZNKAUULIOFJPJ-UHFFFAOYSA-N 430.961 5.019 30 10 IKEE Cc1ccc(CSc2nnc(C3CCC3)n2N=Cc2ccc(Cl)cc2Cl)cc1 2331484801 TYMNXOGJFQUYBN-UHFFFAOYSA-N 431.392 6.335 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CCC)c(OC)c2)cc1 2331545858 QDBDSCYJHRLLJH-UHFFFAOYSA-N 438.564 6.646 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2ccccc2)cc1 2331635406 ZSWSFTOQDULKJF-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE CCCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1N=Cc1ccc(CC)cc1 2331646801 LXGZPSNWBWFHKM-UHFFFAOYSA-N 435.597 5.023 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OC 2331780318 FETMPNOGNDXQCZ-UHFFFAOYSA-N 436.592 7.173 30 10 IKEE CC1(C)OB(c2ccoc2CNc2ccc(Cl)c(Br)c2Cl)OC1(C)C 2337030869 WWXYLTYHNKAADF-UHFFFAOYSA-N 446.965 5.260 30 10 IKEE C[C@H](c1cccs1)N(Cc1ccccc1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N 2339468944 YZSLRZGQSXTDRS-LJQANCHMSA-N 444.409 5.687 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(Cl)c2)cc1 21238478 PIZNLDHAJQCANQ-UZTOHYMASA-N 444.962 6.718 30 10 IKEE CCn1nc(C)c(CN/C(=N/C(=O)c2cccc(Cl)c2)Nc2cc(C)ccc2C)c1C 32971684 AJTZCAPQPOPBOD-UHFFFAOYSA-N 437.975 5.188 30 10 IKEE CCCN1C(=O)/C(=C\c2cc(Cl)c(O)c(OC)c2)S/C1=N/c1ccc(OCC)cc1 33293791 XCYWWJXXNPXLAA-BBWXTVSKSA-N 446.956 5.467 30 10 IKEE C=CCOC(=O)C1=C(C)N(Cc2ccc(F)c(F)c2)C(=O)C[C@@H]1c1ccccc1Cl 37280148 FBUOQGQIWDTCNA-QGZVFWFLSA-N 431.866 5.138 30 10 IKEE Cc1csc(/N=C2/S/C(=C\C(Cl)=C\c3ccccc3)C(=O)N2c2ccccc2)n1 39865536 YNGIRZZDUYZHRU-AMGIMTBESA-N 437.977 6.383 30 10 IKEE O=C1/C(=N\Nc2ccc(F)cc2)c2cc(Br)ccc2N1Cc1ccc(F)cc1 59159146 NZONBBDJOUMQPD-QOMWVZHYSA-N 442.263 5.090 30 10 IKEE Oc1ccc(/C=N/c2cc(C(F)(F)F)ccc2Oc2ccccc2)cc1Br 59501265 KMSNVRRXUXQKGY-BRJLIKDPSA-N 436.227 6.716 30 10 IKEE CCCCCCCCCCCNC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 100959261 MAQLHZHVAMOQLB-UHFFFAOYSA-N 429.004 6.853 30 10 IKEE COc1ccc(C(=O)O/N=C2\C[C@@]3(C(=O)Nc4ccc(F)cc4)CC[C@@]2(C)C3(C)C)cc1 100966323 ACZHAZBBVJEPFH-ONSPKLCJSA-N 438.499 5.202 30 10 IKEE CN1[C@H](c2ccccc2)C[C@H](/N=C/c2ccccc2)[C@H](c2ccccc2)[C@@H]1c1ccccc1 102099986 VOXJOUOUCQMCPD-NULMNDRYSA-N 430.595 7.076 30 10 IKEE CCCCCCCn1c(CCCCCNC(=O)c2cccc(OC)c2)nc2ccccc21 102168761 LAJRTWHTHCYIPC-UHFFFAOYSA-N 435.612 6.158 30 10 IKEE C=CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N/c1c(O)ccc2ccccc12 106931600 HPUBYKXZIYTAIN-DIQLGICBSA-N 445.569 5.706 30 10 IKEE CCN1C(=S)N[C@@H](c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(C(C)=O)=C1C 169933446 DPNLUMNDFKWPCQ-NRFANRHFSA-N 449.403 5.687 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccc(O)cc2)c1 169960905 AVPXFRFYVUZFRZ-DEOSSOPVSA-N 427.500 5.409 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@H]2c2cccnc2)cc1 170008991 XBQRBPPEYIKHOF-QFIPXVFZSA-N 448.906 5.225 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2C2CCCCC2)c1 170039339 FHNGZLOJYZNQAO-QHCPKHFHSA-N 437.511 5.444 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(F)cc2)cc1C 170062418 XWLPHSDJQXUTDE-XMMPIXPASA-N 441.458 5.972 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cc(C)c(OC)cc3C)=C(O)C(=O)N2C2CCCCC2)c1 170119451 VYBOPURNOLRNFO-XMMPIXPASA-N 449.547 5.232 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2OC)cc1C 170122562 UUDDGOFDSGWGJZ-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@H]1c1ccccc1OC 170125773 HLBYWPNYJSFZJU-HSZRJFAPSA-N 437.536 5.171 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2C2CCCC2)c1 170148678 UERQWFDKWKIAAU-XMMPIXPASA-N 433.548 5.612 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2cccs2)c1 170156083 DKEPITKRGOBBPI-QHCPKHFHSA-N 447.556 5.935 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(C)cc4)[C@@H]3c3cccs3)oc12 170159766 TXHBSZRPYDXAOY-OAQYLSRUSA-N 445.496 5.594 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccs2)cc1C 170163980 HCDPCHNIZQTMEU-JOCHJYFZSA-N 439.577 5.756 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@@H]1c1cccs1 170165504 PBRSONCPYONWHM-SFHVURJKSA-N 448.382 5.588 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccnc2)ccc1Cl 170194109 KFHDIZJEZWVNKE-OAQYLSRUSA-N 440.927 5.045 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1cccc2ccccc12 170220761 ONNXQMWGDDVKPI-XMMPIXPASA-N 445.515 5.235 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccccc2)c1 170223661 MYRXRLAOBFTAPV-RUZDIDTESA-N 441.527 5.875 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccccc2)cc1 170224219 QXDTVHIIRSXWFU-XMMPIXPASA-N 427.500 5.349 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccc2C)c1 170273022 VGPMZOPLQUCJGW-RUZDIDTESA-N 441.527 5.875 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccc2C)c(OC)c1 170273073 XXTSNYPYWQGLCW-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1C1CCCCC1 170275381 XGPHMGDDDFVFPS-VWLOTQADSA-N 429.560 5.785 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccco2)ccc1Cl 170281582 FCKYHLZZZJQPJL-HXUWFJFHSA-N 441.842 5.254 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccco2)cc1 170283226 DDDFTUPZJNIMPP-QHCPKHFHSA-N 431.488 5.412 30 10 IKEE Cc1nc(-c2ccccc2)sc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccco1 170295930 IWBINMWDOYAPPE-LJQANCHMSA-N 434.517 5.232 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1c1cccc(F)c1 170313565 KSDAOCYHVBZODQ-HXUWFJFHSA-N 433.460 5.725 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1c1ccc(F)cc1 170313904 XHLZPUYRXRODGL-FQEVSTJZSA-N 433.460 5.725 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccc(OC(C)C)c2)c1 170347520 RDGIVHMVHQRNRZ-XMMPIXPASA-N 443.499 5.265 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(OC(F)(F)F)cc2)c1 170458594 QIRCWRNMAIEVGB-HXUWFJFHSA-N 433.426 5.409 30 10 IKEE CCOc1cc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C(C)C)cc2)ccc1O 170463701 BJDNDXUESQHUJE-QHCPKHFHSA-N 447.487 5.290 30 10 IKEE N#C[C@@H](C(=O)c1cc(Br)sc1Br)c1cccc(Cl)c1F 236177425 VWVULAWHUBVZEI-MRVPVSSYSA-N 437.515 5.556 30 10 IKEE C=CCCCCC[C@H](NCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 406558718 PDJLOCNTRVPLGJ-SFHVURJKSA-N 425.411 6.583 30 10 IKEE CCCCCCC[C@H](NCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 406812641 XBXYGLHJWXDNJB-IBGZPJMESA-N 427.427 6.807 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccccc2OC)cc1 526517867 XKTVMBQSIHUOPP-XMMPIXPASA-N 426.472 5.023 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccc(N(C)C)cc1 526822330 WVJBKTCKIMVYDH-IMRQLAEWSA-N 443.620 6.014 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1ccc(C(F)(F)F)cc1 526823644 ZQYSZGMLCASVJC-VYYCAZPPSA-N 443.498 5.686 30 10 IKEE CCCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1/N=C\c1cccc(Cl)c1 526830697 UXLHFRNLYLLRED-QRVIBDJDSA-N 446.960 5.218 30 10 IKEE C=CCCN(C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586145041 ZEMASAFFYSPTTC-UHFFFAOYSA-N 433.617 6.341 30 10 IKEE CCOc1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccccc2Cl)cc1 586225297 NJIPLIULGUHWKL-UHFFFAOYSA-N 426.925 5.006 30 10 IKEE CCCCCCCCCC(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 693675207 YAXDYNVBBLHHEE-SANMLTNESA-N 430.633 5.866 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1ccc(C2CC2)cc1 698482260 NRGAGFPYYQRDBR-FQEVSTJZSA-N 427.342 6.333 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@H](C#N)c1ccc(F)cc1Br 698866851 NUHOZHYNZOPTAR-MRXNPFEDSA-N 425.323 5.652 30 10 IKEE C[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)CCN1C(=O)OC(C)(C)C 698888489 COLWHDNQSUFFCX-MWTRTKDXSA-N 449.979 5.763 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@@]1(C#N)CCc2ccc(Br)cc21 698906283 YETNBPQNHDOZRS-OAQYLSRUSA-N 447.760 6.209 30 10 IKEE 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 700605741 ULYMDNKCDFNHNC-YRHGQSLTSA-N 433.593 5.094 30 10 IKEE N#Cc1ccc(NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)c2ccccc12 705851909 GLQSRWLQGXSSHY-UHFFFAOYSA-N 433.555 5.595 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[C@@H]1Nc1ccc(Br)c(C#N)c1 709701570 PJRMJRIPMCJTGY-YTQUADARSA-N 434.378 5.301 30 10 IKEE Cc1nc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)sc1Br 719320882 APXIMCAKUSXAFH-ZDUSSCGKSA-N 426.311 5.360 30 10 IKEE Cn1cc(OCc2ccccc2)c(=O)cc1CO/N=C(/c1ccc(C(C)(C)C)cc1)C1CC1 821228899 JGQAHYIGNBJKPE-ORIPQNMZSA-N 444.575 5.593 30 10 IKEE O=C1C(=NNc2ccc(F)cc2)c2cc(Br)ccc2N1Cc1ccc(F)cc1 1084541845 NZONBBDJOUMQPD-UHFFFAOYSA-N 442.263 5.090 30 10 IKEE CCN(CC)c1ccc(C=Nc2ccc3nc(-c4ccc(Cl)cc4Cl)[nH]c3c2)cc1 1084551688 KEQKMPLSTQWNAD-UHFFFAOYSA-N 437.374 7.134 30 10 IKEE Cc1cc(Cl)ccc1NC(=O)c1oc2c(c1C)C(=NNc1ccccc1)CC(C)(C)C2 1772729384 MCBALSFHCIBMJZ-UHFFFAOYSA-N 435.955 6.591 30 10 IKEE Cc1ccc(COc2cccc(/C=C3\SC(=Nc4nc(C)cs4)N(C)C3=O)c2)cc1 1772735476 PYYQWUCLZLLRGQ-OBBBTXPFSA-N 435.574 5.573 30 10 IKEE C=CCOc1ccc(/C=C2\SC(=Nc3nnc(C)s3)N(C3CCCCC3)C2=O)cc1 1772737631 MNNSYXSTFFCTGL-NPPZMEKISA-N 440.594 5.348 30 10 IKEE O=C(/C=C/c1ccc(F)cc1F)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1 1860726870 KHHYQJDERGBNPC-UUILKARUSA-N 427.834 5.418 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1C 1861035643 LHNIHIGNYGBZOX-RUZDIDTESA-N 438.612 5.299 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@H]1c1ccc(F)cc1)c1ccccc1Cl 1862430100 BXLJTEKSALLKOA-FQEVSTJZSA-N 441.911 5.362 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccccc1 1862455772 BZIMCNWJLZAQPH-VGOFRKELSA-N 445.481 6.041 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccc(C(=O)O)cc2)cc1 1862478912 TWBGDKVJGQNLDD-HSZRJFAPSA-N 445.515 5.162 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cccc(O)c1 1862506922 BWLFNLACZFGMBJ-AUSIDOKSSA-N 439.527 5.777 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2ccc(F)cc2F)cc1 1862516876 ZGPLNAMEYFGFGT-SPLOXXLWSA-N 429.463 5.130 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1cccc(Cl)c1 1862527394 WSGYCTOUYMXFKI-GOSISDBHSA-N 448.744 5.337 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1cccc(OC)c1 1862529902 KZOWWWCDVUEECV-RDGATRHJSA-N 449.591 6.195 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccccc1F)c1ccc2c(c1)CCCC2 1862544416 CFPVJDWJSVZHTF-RUZDIDTESA-N 447.550 6.006 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1cccc(OC)c1 1862556991 ICOFOOMDVMMULF-QHCPKHFHSA-N 436.552 5.216 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@@H]1c1ccc(Cl)cc1)c1cccc(O)c1 1862591674 LYGDZRMLUPEFCH-JOCHJYFZSA-N 439.939 5.737 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1cccc2ccccc12 1862592517 FEGURFCJXQUMNQ-WXTAPIANSA-N 449.506 5.885 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2cccs2)c1 1862596391 MUIDAJJNYKSPEY-JOCHJYFZSA-N 449.528 5.021 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1ccccc1F 1862638939 NJOIPVNYYPBKCC-OAQYLSRUSA-N 429.463 5.132 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 1862667483 CENWILBAFBEHBA-HXUWFJFHSA-N 432.347 6.104 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc2cc[nH]c2c1 1862678359 MPABUGZDETXJCM-LDLFBNOTSA-N 432.495 5.464 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccc(F)cc2)cc1 1862688342 VEJQOQFUGLWPLD-HSZRJFAPSA-N 435.495 5.303 30 10 IKEE CC(C)Oc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N([C@H]3CCCC[C@H]3C)C2=O)cc1 1863356734 JELXVKPCMGAHKO-JPYJTQIMSA-N 443.547 5.116 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(C)cc2)=C(c2ccccc2OC)C1=O 1863427160 CHCQWTNPRDAVGF-UHFFFAOYSA-N 448.607 6.336 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(OCCC)cc2)C(=O)N(C2CC2)C1=O 1863682354 QKJNWVDMOCUTOD-UHFFFAOYSA-N 426.601 5.448 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccccc2)=C(c2ccccc2OC)C1=O 1863766776 UPROARUKSPPKRQ-UHFFFAOYSA-N 448.607 5.706 30 10 IKEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CCC)[C@H]1c1cccc(C)c1 1864853815 NGZQNTLRNLTELU-JOCHJYFZSA-N 438.616 5.081 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1ncc(-c2ccccc2)s1 1866032048 ABESPNSCSUNZSL-UHFFFAOYSA-N 442.713 9.010 30 10 IKEE CCCCCCCOc1cn(CCCOC(C)C)c(CNc2ccccc2CC)cc1=O 1870837385 CUKMURULDYGJLK-UHFFFAOYSA-N 442.644 6.187 30 10 IKEE C=CCn1cc(OCc2ccc(CC)cc2)c(=O)cc1CNc1ccc(F)c(Cl)c1 1870889701 ACHWTZWPJGCTGG-UHFFFAOYSA-N 426.919 5.580 30 10 IKEE C=CCn1cc(OCCCc2ccccc2)c(=O)cc1CNc1ccc(OC)c(Cl)c1 1871137606 GSSHGUUNWHRGEE-UHFFFAOYSA-N 438.955 5.320 30 10 IKEE Cc1ccc(CCN2COc3cc(C)c4c(c3C2)O/C(=C\c2cccc(C)c2)C4=O)cc1 1871353855 YTHBHULYKUFQQN-MYYYXRDXSA-N 425.528 5.623 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)ccc2C1=O 1871377274 CXUVCIOIQVNOFN-RMAQBEHBSA-N 433.441 5.200 30 10 IKEE Cc1cc(O)c(CN(Cc2ccccc2)C(C)C)c2c1C(=O)/C(=C/c1cccc(F)c1)O2 1871395013 BUMLFBSSVZLWSR-OYKKKHCWSA-N 431.507 5.867 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871409165 YURLRIVDMHTSSN-ICODJCHTSA-N 447.918 5.979 30 10 IKEE CCc1ccc(OCCCOc2cc(C)c3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871412858 IEBQMPPSMNBOTG-XYGWBWBKSA-N 432.491 6.161 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 1871431483 ZWCGAVZEAFAMHF-MTJSOVHGSA-N 448.346 5.637 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(C(C)C)cc2)ccc2c1O/C(=C\c1cccc(F)c1)C2=O 1871435597 UAFNZYCNOZFCHI-OYKKKHCWSA-N 445.490 5.891 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(Cl)cc2)ccc2c1O/C(=C\c1ccc(F)cc1)C2=O 1871440696 CFTDEIULWIPNMX-MTJSOVHGSA-N 437.854 5.421 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccccc4Cl)c3C)C2=O)cc1 1871455504 PPKMQBJUPUXFQV-UCQKPKSFSA-N 447.918 5.845 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cccc(Cl)c1)[C@@H](C)CC)S(=O)(=O)c1cccs1 1872249279 WTLOMCRDYJMMGS-HNAYVOBHSA-N 441.018 5.022 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)S(=O)(=O)C1CC1 1872332724 KWJYPCZRKWBAMZ-DEOSSOPVSA-N 448.673 5.801 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1ccccc1 1872426628 FBURGIIFEDJWOV-NRFANRHFSA-N 434.989 5.023 30 10 IKEE N#C[C@@H](C(=O)C(c1ccccc1)c1ccccc1)c1nc(-c2ccccc2Cl)cs1 1872764420 MMHLPJWRCYDMPH-FQEVSTJZSA-N 428.944 6.472 30 10 IKEE N#C[C@H](C(=O)CCCOc1ccc(Cl)cc1)c1nc(-c2cccc(Cl)c2)cs1 1872767050 RWXUVQOGWPLEGP-GOSISDBHSA-N 431.344 6.152 30 10 IKEE COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1OC 1872768774 BSDMDFLDHKDSIP-CYBMUJFWSA-N 433.316 5.624 30 10 IKEE C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)[C@@H](C#N)c1nc(C(C)(C)C)cs1 1872769875 ZPBMYFZBJVHJAG-ZYHUDNBSSA-N 441.778 5.500 30 10 IKEE CCCCCCCOc1ccc(-c2csc([C@H](C#N)C(=O)Cc3cccs3)n2)cc1 1872776402 OXAOBAPTKCXVCN-OAQYLSRUSA-N 438.618 6.640 30 10 IKEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3C(=O)c3ccccc3)n2)cc1C 1872782601 LCUXOHQWKOAYSX-QHCPKHFHSA-N 436.536 6.148 30 10 IKEE Cc1cc(C)c(-c2csc([C@H](C#N)C(=O)/C=C\c3ccc4c(c3)OCCO4)n2)c(C)c1 1872786352 HYTGDYUSTGZOJZ-GJEJWFRCSA-N 430.529 5.396 30 10 IKEE N#C[C@H](C(=O)c1c(F)cccc1Cl)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872787158 CLTZPFHUWNRGMQ-LLVKDONJSA-N 425.699 6.399 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC2CCCC2)=C(c2cc(F)cc(F)c2)C1=O 1873110055 RVYWZDAUNVZHGS-UHFFFAOYSA-N 432.555 5.718 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCC(C)C)=C(c2c(C)cc(C)cc2C)C1=O 1873120186 FOCOLFXGTFCSFY-UHFFFAOYSA-N 426.645 6.078 30 10 IKEE COc1cccc(/C=N/Nc2oc(-c3ccccc3)nc2C#N)c1OCc1ccccc1F 1873471051 VLLGDYIPNWCMKG-RWPZCVJISA-N 442.450 5.386 30 10 IKEE Cc1ccc(C)c(N2CC(=O)C(c3nc(-c4ccccc4)c(-c4ccccc4)s3)=C2N)c1 1873527930 YRJBUMCKIOQVQK-UHFFFAOYSA-N 437.568 5.811 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(F)cc2)cc2c(NCCCCc3ccccc3)ncnc21 1873619144 AXZDLYFTMZRDGU-UHFFFAOYSA-N 443.526 5.444 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccc(N4CCCCC4)cc3)c(=O)oc2c1 1873979974 AJGXYTZFWVIWGM-UHFFFAOYSA-N 446.547 5.228 30 10 IKEE CN1C(=O)C[C@@H](C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1cccc(F)c1 1874181145 JHXOIHZCQPTMSE-NVXWUHKLSA-N 448.338 5.021 30 10 IKEE CCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1/N=C/c1ccccc1F 1874194937 OGXFGOXFOQKGHA-YZSQISJMSA-N 440.588 5.721 30 10 IKEE CCCSc1nnc(CCCOc2ccc(OC)cc2)n1/N=C/c1sccc1C 1874222406 SVPVUCGRKWOROM-PXLXIMEGSA-N 430.599 5.053 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1cccc(Cl)c1 1874230476 LIKOJMMCOXMMDT-BHGWPJFGSA-N 447.391 6.023 30 10 IKEE CCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1c(F)cccc1Cl 1874244687 LVXNJUDIWIYKOW-VULFUBBASA-N 447.023 6.214 30 10 IKEE C=CCSc1nnc(CCc2ccccc2OC)n1/N=C/c1ccc(N(CC)CC)cc1 1874313866 RFESTJVCMSULPR-LGUFXXKBSA-N 449.624 5.078 30 10 IKEE Cc1ccc(CSc2nnc(CCOc3ccccc3)n2/N=C/c2ccccc2C)cc1 1874345764 FIACCZPWGMHRDX-OVVQPSECSA-N 442.588 5.691 30 10 IKEE COc1cccc(/C=N/n2c(SC)nnc2-c2ccccc2)c1OCc1cccc(C)c1 1874425642 SMLCVIKBTXHHNT-WGOQTCKBSA-N 444.560 5.445 30 10 IKEE COC(=O)c1ccc(CSc2nnc(C3CCC3)n2/N=C/c2ccc(C(C)C)cc2)o1 1874495775 DUKYXAHWRCPZSU-ZMOGYAJESA-N 438.553 5.223 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3ccccc3)nnc2C2CC2)cc1OCC 1874519651 FBBZBXYOEOQYRN-PCLIKHOPSA-N 436.581 5.518 30 10 IKEE Sc1nnc(C2CCC2)n1/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 1874559345 LPMWJWWSIJJJPZ-WSDLNYQXSA-N 443.370 5.058 30 10 IKEE Cc1cccc(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c1 1874571135 XUXCUEUWXDOXFP-VHEBQXMUSA-N 447.534 6.576 30 10 IKEE COc1cccc(C(=O)/C=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)c1 1874572436 NFEMIKFNPZGSIN-CCEZHUSRSA-N 428.915 6.977 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCc2ccccc2F)cc1 1874575847 JUJUSLXLMPHQND-FMIVXFBMSA-N 426.871 5.971 30 10 IKEE O=C(/C=C/c1c(OCc2cccc(Cl)c2)ccc2ccccc12)c1cccc(Cl)c1 1874577261 FWUQLKNEDUIOER-OUKQBFOZSA-N 433.334 7.622 30 10 IKEE CCc1ccc(NC(=O)COc2c(/C=C/C(=O)c3ccc(F)cc3)cccc2OC)cc1 1874584248 FLEIOWGJVOLMDZ-LFIBNONCSA-N 433.479 5.310 30 10 IKEE C=C(C)COc1c(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc(Cl)cc1OC 1874585231 NZZAUGPLUBWSEL-SDNWHVSQSA-N 434.919 6.992 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1OCc1cccc(Cl)c1 1874591599 SRACLOOOTYPFLV-DHZHZOJOSA-N 447.745 7.131 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OCCO)c(Br)c1 1874624596 LGGNZXWHKXAGHM-VMPITWQZSA-N 433.342 5.022 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccc(F)cc1 1874633331 XENOBLDLBFYRTC-LFYBBSHMSA-N 433.479 5.365 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3cccc(C)c3C)c2)c(OC)c1 1874714508 ZFTAJUHGSFQRQU-SDNWHVSQSA-N 446.499 5.201 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC(=O)CSc2ccccc2)c1 1874716030 XVGHCBZJMJSVHI-JQIJEIRASA-N 444.596 6.886 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cc(Cl)ccc2Cl)cc1)c1ccc2ccccc2c1 1875094769 IABLCVMTXRMWFS-VGOFMYFVSA-N 447.317 7.262 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)ccc1OC(=O)[C@@H](C)c1ccccc1 1875101281 RDNMBONQOBPWGI-LLLGYDHXSA-N 430.500 5.699 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)Cc1cccs1 1875120106 BOOHNXZROJQOAP-VMPITWQZSA-N 444.455 5.088 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OC(=O)c1ccc2c(c1)OCO2 1875127832 ZPAUXXSMCVBXNK-VQHVLOKHSA-N 436.847 5.193 30 10 IKEE C[C@H](C(=O)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1Br)c1ccccc1 1875127997 IXEGINAFAUGMCV-VSOYFRJCSA-N 435.317 6.054 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OC(=O)Cc1ccccc1F 1875154425 DIDZALVWXGBUFM-FYWRMAATSA-N 440.470 6.032 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)cc2OC)cc(OC)c1OC(=O)C(C)(C)C 1875177911 NHSALWZNXIWEIS-JLHYYAGUSA-N 438.520 5.289 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc(Cl)c1OC(=O)C1CCC1 1875182359 ZHKRENLRKLRREC-BQYQJAHWSA-N 449.330 5.921 30 10 IKEE C=C(C)CSC(C)(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1883383017 DMIRCDQXPKDNKE-NRFANRHFSA-N 425.550 5.066 30 10 IKEE Cc1nn(C)c(Br)c1[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 1891093370 PXZFWOVVUVKEEX-HNNXBMFYSA-N 425.371 5.016 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)C12CCC(CC1)CN2C(=O)OC(C)(C)C 1922077445 NTVOAHBMKSZSCF-NHXWLTBQSA-N 428.617 5.307 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1CN(C(=O)OC(C)(C)C)CCC1(C)C 1922106869 HKEOSHSPYUUCLC-DHIUTWEWSA-N 430.633 5.411 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1csc(Br)c1Br 1922107502 MLNYOAYQOPTJKJ-INIZCTEOSA-N 445.220 5.697 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CN(C(=O)OC(C)(C)C)C(C)(C)C1 1949596197 LXHKYIPLODXQQW-DEOSSOPVSA-N 429.561 5.418 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)C12CCC2 2020571905 HGYQIMHBCZKGOE-DEOSSOPVSA-N 433.593 5.382 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@]1(C)CCCN1C(=O)OC(C)(C)C 2020802427 MEDWOZRJMALTLH-DVECYGJZSA-N 429.561 5.418 30 10 IKEE C=CCCCCCCCC[C@H](O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2026311875 DLMWZZNKZVJPRK-XWGVYQGASA-N 433.633 6.153 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@]1(C#N)CCN(Cc2ccccc2)CC1(C)C 2037436415 YOMSONKYBASGRB-HHHXNRCGSA-N 439.644 6.141 30 10 IKEE C[C@@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)[C@H](OCc2ccccc2)C1 2043772324 ISJXKSBTCUSRTH-RTGAMMJTSA-N 438.543 6.235 30 10 IKEE O=C(C=Cc1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(Br)cc1 2053497812 FDBMPPWRQYUEAE-UHFFFAOYSA-N 430.305 5.593 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]1(C(C)(C)C)CCN(C(=O)OC(C)(C)C)C1 2058042386 FJYHSXSLNMTBCX-YIXXDRMTSA-N 444.660 5.801 30 10 IKEE C=C([C@H](NC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)C(C)(C)C 2096659380 AMPACWLJBSLAJP-MSOLQXFVSA-N 425.411 5.075 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@H](O)c1ccc(Br)c(Cl)c1F 2098124715 XULCOLZWJSSPJX-UXHICEINSA-N 442.756 5.026 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)c(Cl)c1 2103314770 QVXKOYIQSKPVPA-ZWKOTPCHSA-N 445.829 6.003 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Cl)cc(Br)c1 2136655722 BKTUYFCJSLIBIU-QZTJIDSGSA-N 443.813 5.450 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)C(C)(C)C1CCCCC1 2151427271 QIHHBOGNXMVFEM-IBGZPJMESA-N 435.406 6.689 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@]2(C#N)Nc2ccc(Br)cc2)C1 2156252165 UBSSXGYEZLTWBT-LEWJYISDSA-N 434.378 5.325 30 10 IKEE COc1cc(CNC(=O)OC(C)(C)C)ccc1Nc1ccc(Br)cc1C#N 2162333928 NBVDNGNAFZJCBY-UHFFFAOYSA-N 432.318 5.098 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(C#N)c(Br)c2F)CC12CCC2 2162347549 YJWXDEJMPFRCJN-CQSZACIVSA-N 438.341 5.194 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)C1([C@H]2CCCCO2)CC1 2164398163 LOEHABSVVUUOCM-ZWKOTPCHSA-N 435.362 5.432 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CC[C@@H]2CCCN[C@@H]2C1 2166987042 ZYPPNNGCDHNQLI-LUQKVYGDSA-N 434.378 5.005 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1ncoc1C(C)(C)C 2178418241 NHCCNAONOHQBOZ-OAHLLOKOSA-N 434.334 5.741 30 10 IKEE CC(C)(C)OC(=O)NC1(c2ccccc2Nc2ccc(C#N)c(Br)c2)CC1 2199691781 DYKJMKYPFFAVHQ-UHFFFAOYSA-N 428.330 5.578 30 10 IKEE CC(C)(C)OC(=O)NC(C)(C)[C@H]1CCCCN1c1cc(Br)cc(F)c1C#N 2208033383 OPMWGRSOMMOMJC-QGZVFWFLSA-N 440.357 5.122 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(C)c(Br)c(C)c1 2227359908 NCXLMDYHVZOLGH-PKOBYXMFSA-N 425.411 5.576 30 10 IKEE CCCC#C[C@H](NCCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237412940 XKVJMZGUBLYJCD-PMACEKPBSA-N 437.422 5.057 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)CC[C@H](CC)NC(=O)OC(C)(C)C 2296311019 QVCFFQLWRFSSSD-PMACEKPBSA-N 437.422 5.252 30 10 IKEE C=CCOc1ccc(C=C2SC(=S)N(c3cccc(Br)c3)C2=O)cc1 2296441729 JDKYJLKYIKZOPF-UHFFFAOYSA-N 432.364 5.420 30 10 IKEE COc1cccc(C=C2SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)c1O 2296826815 VTQQBIKOGKYPLQ-UHFFFAOYSA-N 430.529 5.826 30 10 IKEE COc1ccc(OC)c(C=C2SC(=Nc3ccc(Cl)cc3C(F)(F)F)NC2=O)c1 2296882420 ULXRMSDTWKSGHD-UHFFFAOYSA-N 442.846 5.268 30 10 IKEE O=C1C(=Cc2ccc(N3CCCCC3)o2)SC(=Nc2ccccc2)N1C1CCCCC1 2313559895 AVFRQZBQMXLKRN-UHFFFAOYSA-N 435.593 6.207 30 10 IKEE COc1cccc(COc2ccc3c(c2)OC(=Cc2ccc(Br)cc2)C3=O)c1 2314437723 UZHWEMFCBYGIIZ-UHFFFAOYSA-N 437.289 5.653 30 10 IKEE Cc1cccc(N=C2SC(=Cc3c(Cl)cccc3Cl)C(=O)N2c2ccccc2)n1 2314540829 ZNHWMAKQWLKQLF-UHFFFAOYSA-N 440.355 6.505 30 10 IKEE C[C@@H]1[C@@H](C)[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)CCN1C(=O)OC(C)(C)C 2321343502 DSJJMEVVDVQZIT-OJLQRUNKSA-N 447.551 5.495 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1C 2321344025 IILCMVJIDFBMKW-MHPIHPPYSA-N 443.588 5.664 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1ccccc1F)c1ccc(-c2ccccc2)cc1 2322305556 WABVLMAOHCCHGI-UHFFFAOYSA-N 442.917 7.621 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Cl)cc(OC)c1OCc1ccc(Cl)cc1 2322481686 PAKVUSDOSYPIAP-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE Cc1cc(OC(=O)C(Cl)(Cl)Cl)cc2c1C(=O)C(=Cc1ccc(C(C)C)cc1)O2 2323038905 MERWGLBTBYZIRZ-UHFFFAOYSA-N 439.722 6.010 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2cccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1 2323099441 AKVWULHSGQNEHM-UHFFFAOYSA-N 430.460 5.125 30 10 IKEE Oc1cc(-c2ccccc2)nc(NN=Cc2ccc(OCc3ccccc3)c(Cl)c2)n1 2323259680 PRQQPLQMKBAWCW-UHFFFAOYSA-N 430.895 5.528 30 10 IKEE O=C1C(=Cc2ccccc2F)Oc2cc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])ccc21 2323281273 WHIJVEYVYAFBSY-UHFFFAOYSA-N 439.782 5.223 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC)c3ccccc23)cc1OCC(=O)OCC(C)C 2323327974 NIVQIWKCWIFIEW-UHFFFAOYSA-N 448.515 5.331 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1Cl 2323396180 CIIZUZBBLLYQMA-UHFFFAOYSA-N 449.978 6.417 30 10 IKEE C[C@@H](NC(=O)COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1)c1ccccc1 2323419520 PASLJNZLZHWKPR-OAQYLSRUSA-N 439.555 5.718 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)cc(Cl)c1OCc1ccccc1F 2323496231 SGIKIXMEGGHRGD-UHFFFAOYSA-N 440.898 6.362 30 10 IKEE CCCCCCCCCCN1C(=O)C(=Cc2ccc(OCCC)c(OC)c2)SC1=S 2323720794 GZBGSEJWOUPOBK-UHFFFAOYSA-N 449.682 6.826 30 10 IKEE COC(=O)c1ccc(C=C2Oc3cc(OC(=O)C=Cc4ccccc4)cc(C)c3C2=O)cc1 2323749797 HODXIIITQHEUMN-UHFFFAOYSA-N 440.451 5.017 30 10 IKEE C=CCOc1c(CC=C)cc(C=CC(=O)c2ccc(OCCCCCCC)cc2)cc1OC 2324210240 BWLRAGQXHKEUKA-UHFFFAOYSA-N 448.603 7.234 30 10 IKEE Cc1cc(OCCCc2ccccc2)cc2c1C(=O)C(=Cc1ccccc1Br)O2 2324269497 IAKMUBADIDLWJR-UHFFFAOYSA-N 449.344 6.385 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)c1OCC(=O)OCC(C)C 2324451499 SMKUSXZKVAGCKR-UHFFFAOYSA-N 444.955 5.830 30 10 IKEE CCOc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3OC)cs2)cc1 2324762416 IQTGOFZTJSGIOT-HXUWFJFHSA-N 434.517 5.116 30 10 IKEE Cc1cccc(C(C)C)c1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccncc1)C2=O 2324990081 JGPCAFKCKWANSJ-UHFFFAOYSA-N 442.515 5.456 30 10 IKEE Cc1ccc(NC(=O)CCOc2ccc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)cc1 2325226127 NHXMXEBPOQXMAD-UHFFFAOYSA-N 431.463 5.466 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OC(=O)c1cccc2ccccc12 2325735320 DXXHPVODUYIVFV-UHFFFAOYSA-N 436.507 6.581 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccccc3)c2)cc1Cl 2325767149 BXUGBLVJOAGEGX-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccc(F)cc1F 2326074607 MWFARGSPZLXYLN-UHFFFAOYSA-N 448.926 5.382 30 10 IKEE COc1cc(C=Nn2cnnc2SCc2ccc(C(C)(C)C)cc2)ccc1OC(C)C 2326315279 CKSXXRJMHRPGJZ-UHFFFAOYSA-N 438.597 5.546 30 10 IKEE COc1c(Cl)cc(C=Nn2cnnc2SCc2ccc(C(C)(C)C)cc2)cc1Cl 2326315366 CKFCJCVHPGSITA-UHFFFAOYSA-N 449.407 6.066 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2C)n1N=Cc1cc(C)ccc1O 2327087649 RNXYDBKFSUPIOM-UHFFFAOYSA-N 436.581 5.163 30 10 IKEE CC(C)c1ccc(C=Nn2c(Cc3cccc4ccccc34)nnc2SCCCO)cc1 2327785451 LRJVAFYTLOOYAU-UHFFFAOYSA-N 444.604 5.502 30 10 IKEE C=CCSc1nnc(CCc2ccccc2Cl)n1N=Cc1cccc(OCCC)c1 2327975866 KFEXOHWIZRYBFL-UHFFFAOYSA-N 441.000 5.666 30 10 IKEE CCCCC1CCC(c2nnc(SCC(=O)NCCC)n2N=Cc2ccccc2)CC1 2328142873 XPRQBBFWBDQNPG-UHFFFAOYSA-N 441.645 5.243 30 10 IKEE COc1ccc(Cc2nnc(SCc3cccc(C)c3)n2N=Cc2sccc2C)cc1 2329252515 BOLSXHYVBJVYNY-UHFFFAOYSA-N 448.617 5.730 30 10 IKEE CCCSc1nnc(Cc2ccc(OC)cc2)n1N=Cc1ccc(Cl)cc1Cl 2329288329 UDFZUZKWVULHPQ-UHFFFAOYSA-N 435.380 5.569 30 10 IKEE Clc1cccc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccccc2)c1 2330269935 BEDBPNJIUQXFNQ-UHFFFAOYSA-N 425.001 6.229 30 10 IKEE Fc1cccc(CSc2nnc(-c3cccs3)n2N=Cc2ccccc2Cl)c1 2330557532 QVUZEUKMBYENSM-UHFFFAOYSA-N 428.945 5.974 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccccc3C)nnc2-c2ccccc2)c(OC)c1 2330635238 YARLPCWAFXWJLU-UHFFFAOYSA-N 444.560 5.445 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc2ccccc2c1 2330664861 MRRZAIABYYJWSY-UHFFFAOYSA-N 441.414 6.002 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)cc2)c1 2330775840 SYDLUAXFJAHDRT-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(CCCC)cc2)cc1OCC 2330839899 UHMWLTRHJAKIAB-UHFFFAOYSA-N 442.983 7.073 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)CCCOc2ccc(C)cc2)cc1 2331051374 GEWKYBNEDBNDGO-UHFFFAOYSA-N 430.500 5.664 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CCCC2)cc1 2331077953 WBMJTXZKVQVFPA-UHFFFAOYSA-N 441.000 6.162 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2OC)cc(OC)c1OC(=O)Cc1ccccc1 2331079318 NBXFGBZJTCUYRW-UHFFFAOYSA-N 442.511 5.477 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)c1cccc2ccccc12 2331081351 LYUWBQRYFZJADG-UHFFFAOYSA-N 438.479 5.972 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc3cc(Cl)ccc3n2)cc1)c1ccc(Cl)cc1 2331141872 VUMYLJBRGMFZJN-UHFFFAOYSA-N 448.305 6.657 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(Cl)c3)c([N+](=O)[O-])c2)c(C)c1 2331225355 OURBZNNGFDWBAX-UHFFFAOYSA-N 435.863 5.980 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])c1 2331273302 HCZZNCAVLYCQPD-UHFFFAOYSA-N 445.471 5.346 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)COc1ccccc1 2331292905 TZDXWFMPENKUOY-UHFFFAOYSA-N 442.511 5.613 30 10 IKEE O=C(Cc1cccs1)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1Cl 2331398458 XHVHDDDQFZCRQK-UHFFFAOYSA-N 440.904 5.217 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2331403801 JYGBUUFCJGUJFW-UHFFFAOYSA-N 445.932 5.017 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)CCOc3ccccc3)cc2)cc1 2331412683 WMDXFZSAXGJPLG-UHFFFAOYSA-N 428.528 6.255 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC(=O)c1ccccc1 2331413602 DGQOQQLUFSRGJT-UHFFFAOYSA-N 444.527 6.117 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1cccc(F)c1 2331430336 GIYJOPHFYKQLJM-UHFFFAOYSA-N 432.491 6.247 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(Br)c1OC(=O)C1CCC1 2331534255 BOJHNPBCTRZHED-UHFFFAOYSA-N 433.273 5.198 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)c1cccc(C)c1 2331556201 SKOKKXCENQVLEU-UHFFFAOYSA-N 438.426 5.406 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)ccc1OC(=O)C1CC1 2331597039 NWVCALGJBGZALM-UHFFFAOYSA-N 428.484 6.089 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc([N+](=O)[O-])c1OC(=O)CC(C)C 2331708251 WPBAUSIALNKSRV-UHFFFAOYSA-N 425.481 5.458 30 10 IKEE CC(C)c1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(N(C)C)cc1 2331716372 ZVCMHRIWIPDXMI-UHFFFAOYSA-N 431.968 5.435 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc(Cl)c1OC(=O)C1CC1 2331753755 SDHBTOMWCCDUIA-UHFFFAOYSA-N 435.303 5.531 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)CC(C)C)c([N+](=O)[O-])c1 2331756914 OVJBJGRWAANQFV-UHFFFAOYSA-N 431.872 5.413 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)ccc1OC(=O)C1CCC1 2331758465 IHOIGMURSSPHKY-UHFFFAOYSA-N 428.912 5.657 30 10 IKEE CC(C)[C@@H](CN(C)Cc1ccccc1)Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339574600 KGLDITZUJRLVSN-HSZRJFAPSA-N 435.421 5.295 30 10 IKEE CCN(C(=O)OC(C)(C)C)C(C)(C)COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339596981 NFTHNVQPVHLEML-UHFFFAOYSA-N 446.397 5.141 30 10 IKEE Cc1cc(C(=O)N2CC[C@@](C)(B3OC(C)(C)C(C)(C)O3)C2)ccc1NC(=O)OC(C)(C)C 2342469202 HFJJBIRCMSREPW-XMMPIXPASA-N 444.381 5.040 30 10 IKEE CC[C@@H](NC[C@@H]1CCCCN1Cc1ccccc1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363837670 AZCCCUNICXFMTD-IZZNHLLZSA-N 448.460 5.081 30 10 IKEE C=C(C)CN1C(=O)[C@@H](C)Oc2cc(NC(=O)NC(C)(C)c3cccc(C(=C)C)c3)ccc21 12236444 RHRSJNGJMUKXNZ-GOSISDBHSA-N 433.552 5.467 30 10 IKEE COc1ccc(-c2nnc(SCc3ccc(C#N)cc3)n2CCc2ccccc2)cc1 12746370 ZMWNMCPRRSOZKT-UHFFFAOYSA-N 426.545 5.360 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2 14465102 NRKWHOABCWOHKA-LGVFNWMJSA-N 440.996 5.529 30 10 IKEE COc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OC(C)C)cc2)C3)cc1Cl 21250179 URJXNFSEYIBCJL-PKOBYXMFSA-N 439.939 5.140 30 10 IKEE CCCCSc1nnc2c(n1)O[C@@H](c1ccccc1C#N)N(C(=O)CC)c1ccccc1-2 32997099 HNKVCEJYWCIEKT-QHCPKHFHSA-N 445.548 5.137 30 10 IKEE CCOc1ccccc1[C@H]1C2=C(C[C@@H](c3ccc(O)c(OC)c3)CC2=O)Nc2onc(C)c21 33321133 QUFAHBDDTDEJPC-VOIUYBSRSA-N 446.503 5.054 30 10 IKEE COc1ccc(COc2ccc3c(c2)O/C(=C/c2ccc(-c4ccccc4)cc2)C3=O)cc1 33514149 GDYSJDHFYAACTJ-OGLMXYFKSA-N 434.491 6.557 30 10 IKEE C=CCOc1ccccc1/C=C1\S/C(=N/c2nc(C)cs2)N(c2ccccc2)C1=O 39865475 NXNHLYMKVVTIPN-QJYUKRAPSA-N 433.558 5.825 30 10 IKEE O=C1/C(=C/c2cccnc2)S/C(=N/c2nc(-c3ccccc3)cs2)N1c1ccccc1 39865996 MKHLQEPMJQEMLK-WSUVFPRVSA-N 440.553 6.014 30 10 IKEE COc1cccc2cc(C(=O)Oc3cc(C)c4c(c3)O/C(=C\c3ccccc3)C4=O)oc12 41354047 KFRSKPWAUGKDJM-MTJSOVHGSA-N 426.424 5.585 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc(OC(=O)Cc3ccc(OC)cc3)c2C)C1=O 41358090 AXZXJZWGLAJBRH-JLPGSUDCSA-N 444.483 5.167 30 10 IKEE CCCCc1ccc(-n2c(C)cc(/C=C3\S/C(=N\c4ccc(F)cc4)NC3=O)c2C)cc1 59105971 NVZKTJYHPWQQGV-JLPGSUDCSA-N 447.579 6.467 30 10 IKEE COc1cccc(C(=O)Nc2cc(Cl)c([C@@H](C#N)c3ccc(Cl)cc3)cc2C)c1 59239967 TWZANPKRDWLKPZ-FQEVSTJZSA-N 425.315 6.218 30 10 IKEE CC[C@@H](C(=O)Nc1cc(Cl)c([C@H](C#N)c2ccc(Cl)cc2)cc1C)c1ccccc1 59240277 LXUDUNCCXHLHQI-IFMALSPDSA-N 437.370 7.090 30 10 IKEE N#CCCCOc1cccnc1NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 72087541 UVLICRQEFJSRRK-UHFFFAOYSA-N 442.906 5.885 30 10 IKEE CCCCCCCOc1cccc(OCC(=O)Nc2nc3ccc(Cl)cc3s2)c1 100973264 WNMHBOUBFLAJBM-UHFFFAOYSA-N 432.973 6.316 30 10 IKEE CCCCCCCOc1c(Cl)cc(C(=O)Nc2ccc(Cl)cc2Cl)cc1Cl 101138316 AQGVVWVDFIETJE-UHFFFAOYSA-N 449.205 7.902 30 10 IKEE CCCCCCCCCCCn1c(/C=C/c2c(Cl)cccc2Cl)nc2ccccc21 101263322 TVHBSNFOSCNDEM-VHEBQXMUSA-N 443.462 9.044 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)/C(=C(\O)c4ccco4)[C@H]3c3ccc(C)cc3)sc2c1 102911041 FLFRERCQPCCDRT-SADKCHQCSA-N 444.512 5.386 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cn(C)c4ccccc24)C3=O)cc1 103024952 YJJYQDYQBMRCJF-OYKKKHCWSA-N 439.467 5.331 30 10 IKEE C[C@@H]1Sc2ccc(C(=O)N3CCCS/C3=N/c3ccccc3Cl)cc2NC1=O 105129688 UZPXJLAXWIVHQM-SEDFNUQVSA-N 431.970 5.040 30 10 IKEE COc1cccc2c(C#Cc3ccccc3)c3c(OC)cccc3c(C#Cc3ccccc3)c12 148851073 GYRUSRYHLMJWEU-UHFFFAOYSA-N 438.526 6.810 30 10 IKEE CCN1C(=S)N[C@@H](c2ccc(OCc3cccc(Cl)c3)cc2)C2=C1CCCC2=O 169932889 XKJLSFRRJPVNNH-QFIPXVFZSA-N 426.969 5.177 30 10 IKEE COc1cc(/C=N\Nc2nc(-c3ccccc3)c(C)s2)cc(Br)c1OC 169942319 AAYFDEZLQUNNRV-NHDPSOOVSA-N 432.343 5.344 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccc(F)cc2)c1 169972480 NMDSLAOQDYSBNC-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2cccs2)cc1 169988589 OYPIPNOFEGZIDM-JOCHJYFZSA-N 433.529 5.152 30 10 IKEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@@H]1c1ccc(F)cc1)c1cccc(Cl)c1 170065679 RDWSEFKLGYOPIG-HXUWFJFHSA-N 447.853 5.138 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@@H]2c2ccc(C)o2)c1 170101080 DWISUYZZZAFNEH-HXUWFJFHSA-N 441.842 5.172 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccc(C)c2)cc1C 170140698 ZJLXWOHQDUNYMP-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(C)c2)c1 170143797 HDOACBOGKAPEGN-HSZRJFAPSA-N 431.488 5.155 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 170150117 WLZMXGYZSVZXOB-DEOSSOPVSA-N 449.591 6.104 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccncc2)cc1C 170203853 ZVCVYKWVMGCJBU-JOCHJYFZSA-N 448.906 5.225 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1cccc(OCC)c1 170218185 CVTJKEAAFNRMQE-NRFANRHFSA-N 439.895 5.473 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2ccccc2)cc1 170227265 YWSUCJHRGFVHRM-XMMPIXPASA-N 425.484 5.103 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccccc2)c1 170228361 VGNQQEIXQYQCJQ-DEOSSOPVSA-N 438.483 5.130 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccccc1 170234124 IDSALSINJNYNPH-HXUWFJFHSA-N 425.912 5.178 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1c[nH]c2ccccc12 170255408 XNEJLGCPFLPKPX-DEOSSOPVSA-N 444.575 6.152 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1C 170271329 XAXJGRLKQSMYHM-JOCHJYFZSA-N 435.426 5.065 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1ccco1)c1ccc2c(c1)CCCC2 170290424 VJQGGWPARDZPQP-JOCHJYFZSA-N 435.426 5.220 30 10 IKEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@H]1c1ccco1)c1cccc2ccccc12 170297412 ZMWLFNISQXCEHI-QFIPXVFZSA-N 435.439 5.092 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2c(C)[nH]c3ccccc23)cc1 170403714 QFFSFQKFSZLVFI-QHCPKHFHSA-N 426.472 5.415 30 10 IKEE Cc1cc2c(cc1C)C(=O)/C(=C\c1cn(-c3ccccc3)nc1-c1ccc3c(c1)C[C@@H](C)O3)O2 214011395 JFJJWMNCMMYXAO-PYNCTGKJSA-N 448.522 6.096 30 10 IKEE N#C[C@@H](C(=O)c1cc(Br)sc1Br)c1ccc(F)cc1Cl 236185500 GWCCJZALSTVQIJ-SECBINFHSA-N 437.515 5.556 30 10 IKEE O=C1N[C@@](c2ccccc2)(C(F)(F)F)SC(=Nc2ccccc2)N1c1ccccc1 252593555 BKVSGKFSOGKEMG-OAQYLSRUSA-N 427.451 6.052 30 10 IKEE O=C1/C(=C/c2ccc(Br)cc2)SC(=Nc2ccccc2)N1c1ccccc1 252642744 ZPDZJAANZQTWKI-OIBHPTRJSA-N 435.346 6.258 30 10 IKEE COc1ccc(/C=C2\C[C@@H]3[C@H]4CC=C5C[C@H](OC(C)=O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cc1 253534366 RZZSYQOCHYTRMK-DWHHZZRESA-N 448.603 6.152 30 10 IKEE C=C1SC(=Nc2cccc(Cl)c2C)N(C(=O)c2c(F)cccc2F)C12CCCCC2 254424256 VONMTEZVDAVHKK-UHFFFAOYSA-N 446.950 7.020 30 10 IKEE CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2CC)SC1=Nc1ccccc1OC 254746356 QVQPWUFZOVOSRX-BZMHFZIGSA-N 441.578 5.088 30 10 IKEE C=CCCc1ccccc1NC(=O)[C@H](C)SCc1nc(O)c2c(C)c(C)sc2n1 410352117 OELXMFCOGBENQN-HNNXBMFYSA-N 427.595 5.393 30 10 IKEE CCCOc1cc(/C=N\n2cnnc2SCc2c(F)cccc2Cl)ccc1OC 526816640 GXXXQWHYNIOUKJ-MYKKPKGFSA-N 434.924 5.043 30 10 IKEE Cc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccc(OCC(C)C)cc1 526817455 NOJMSSHTWNIDKL-MYKKPKGFSA-N 432.952 5.588 30 10 IKEE CC(C)(C)c1csc(NC(=O)c2ccc(NC(=O)NCCc3ccccc3)cc2)c1C#N 586634321 UBDJZMIHFPEXAG-UHFFFAOYSA-N 446.576 5.534 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@@H]1[C@H]1CCCCN1C(=O)OC(C)(C)C 698408359 QGZOPPDBXPFTTJ-OZAHESQGSA-N 449.636 5.874 30 10 IKEE COc1ccc(Br)c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2C)c1 698476997 ODBJAMOMRXFWRD-LJQANCHMSA-N 431.330 5.773 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@](C)(C#N)Cc1ccc(Br)cc1 698857994 VGUKZQOZHLCYCX-QFIPXVFZSA-N 435.406 6.234 30 10 IKEE Clc1ccc(Sc2oc(C=Nc3cccc4ccccc34)cc2Br)cc1 1084064594 ANCADPYPBQMUJV-UHFFFAOYSA-N 442.765 7.751 30 10 IKEE C[C@H](Sc1nc2ccc(N=Cc3ccc(F)cc3)cc2s1)C(=O)Nc1nccs1 1084570487 GHGMIROQACHFER-LBPRGKRZSA-N 442.566 5.762 30 10 IKEE C#CCNC(=S)/C(=C(/O)c1ccccc1Br)[n+]1ccc(C(CC)CC)cc1 1319522005 XANAJWXOLPZCKN-UHFFFAOYSA-O 444.418 5.074 30 10 IKEE CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(C)cc2)SC1=Nc1nc(C)cs1 1772735586 QQFPRDILOQWABQ-AFKZWVQSSA-N 449.601 5.963 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=Nc1cccc(C)n1 1772737424 OAVUMUWJTRZABC-CXJFQJJYSA-N 435.936 6.093 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=Nc1cccc(C(=O)O)c1 1772738372 POFWBGSMTNXCGS-VLTWACRQSA-N 438.892 5.532 30 10 IKEE Fc1ccccc1-n1cc(/C=N\NC(=S)Nc2ccccc2)c(-c2cccc(Cl)c2)n1 1857810338 CBRYDVJXOFPTPY-WGARJPEWSA-N 449.942 5.652 30 10 IKEE CCCCCCCOc1cccnc1NC(=O)Nc1ccc(Cl)cc1C(F)(F)F 1858854072 PBWHYNVTTDPTMV-UHFFFAOYSA-N 429.870 6.747 30 10 IKEE Cc1cccc(Cn2nc(C(=O)Nc3ccc(C#N)cc3)c(Cl)c2-c2ccccc2)c1 1859380944 BCHCGKUEBOOSMW-UHFFFAOYSA-N 426.907 5.684 30 10 IKEE N#Cc1ccc(COc2ccc(NC(=O)c3ccc(OCc4ccccc4)cc3)cc2)cc1 1860154893 AYPVDNQJPNAJND-UHFFFAOYSA-N 434.495 5.969 30 10 IKEE Cc1cccc(OCCCCSc2nc(O)c(C#N)c(-c3cccc(Cl)c3)n2)c1 1860466479 WFFFNDDDHZAMTO-UHFFFAOYSA-N 425.941 5.634 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)[C@@H](C)CC 1861054359 FCKLOBYWBHQXSM-UWJYYQICSA-N 443.459 6.395 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)COc1ccc(C)c(C)c1 1861648500 LWXFCPWZUMQUGN-XMMPIXPASA-N 432.649 5.614 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](C)NC(=O)CCCOc1ccccc1Cl 1861703838 TVWQBFNTLAGHTL-LJQANCHMSA-N 425.013 5.261 30 10 IKEE C=CCN(CC=C)C(=O)C(C)(C)NC(=O)c1ccc2[nH]c(-c3ccc(C(C)C)cc3)nc2c1 1862095561 FFJAALOVQJPILV-UHFFFAOYSA-N 444.579 5.062 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccc2)cc1 1862387393 JDWHXPXBNNLXGD-VWLOTQADSA-N 443.518 5.947 30 10 IKEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@@H]2c2ccccc2)cc1 1862429994 ZRSDQXBFVSXPRC-HJPURHCSSA-N 447.918 5.688 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(OC)c(OC)c1 1862451028 VPILYWLUVFHZBG-NRFANRHFSA-N 443.927 5.126 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862473860 HMHXBUFODVSKNG-XMMPIXPASA-N 429.491 5.475 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2[N+](=O)[O-])c1 1862492422 REOBXLQYOIUOGM-JOCHJYFZSA-N 434.492 5.123 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc(C(F)(F)F)cc2)c1 1862498430 IFZAQKYNENOHGI-NRFANRHFSA-N 445.481 5.947 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CC2)cc1OCC 1862499399 GMBPKZSTEQLDCV-XMMPIXPASA-N 449.547 5.232 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(Cl)c(Cl)c2)ccc1F 1862507914 BRVUACBTLZSXPU-FQEVSTJZSA-N 448.321 5.962 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C2CCCCCC2)c1 1862564216 VFSOVXVSKZGBPG-DEOSSOPVSA-N 448.563 5.359 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(C(C)(C)C)cc1 1862631542 QIKLQMHIBZBDAY-HSZRJFAPSA-N 449.547 5.337 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1862669714 CPMSIMPULJIQKU-FQEVSTJZSA-N 440.883 5.112 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862678843 SRUZJQJYDTWIGO-BVZFJXPGSA-N 443.518 6.289 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccc1Cl 1862712532 SUJNILBVRUSOKA-JOCHJYFZSA-N 435.907 5.108 30 10 IKEE N#Cc1cccc(N2C(=O)C(Nc3ccc4ccccc4c3)=C(c3ccc(Cl)cc3)C2=O)c1 1862799078 VGTOADARJRISQL-UHFFFAOYSA-N 449.897 5.761 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccccc3C#N)C(=O)N(c3cccc4ccccc34)C2=O)c1 1863026034 SRZIWBNIZBKMBN-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCOC(C)C)=C(c2ccc(F)cc2)C1=O 1863507601 XJZYGQOTQOMANT-UHFFFAOYSA-N 432.580 5.061 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(C)c(C)c2)C(=O)N(CCOC(C)C)C1=O 1863600256 AYAFERLZBNYBJL-UHFFFAOYSA-N 442.644 5.539 30 10 IKEE CCCC[C@@H](NC(=O)C[C@@H](CC(C)C)c1ccc(F)cc1)C(=O)Nc1ccccc1C#N 1867104412 OPPWHAGTTOHHNJ-ZJSXRUAMSA-N 437.559 5.531 30 10 IKEE CCc1nc(Nc2cccc(C#N)c2)cc(N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)n1 1868268788 WHFSGSYHIADFQT-QHCPKHFHSA-N 425.580 6.293 30 10 IKEE C=CCN(CC=C)c1cc(N2C[C@@H](C)Cc3c(C)ccc(C)c32)nc(-c2cccnc2)n1 1869367073 WBIAUDQOPCFABU-IBGZPJMESA-N 425.580 5.664 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)/C=C/c2ccc(C(C)C)cc2)n(-c2ccccc2)n1 1870001858 XPXFUEWGQBCJEU-SAPNQHFASA-N 427.552 5.221 30 10 IKEE CCCCCCCCCCn1cc(OCC)c(=O)cc1CNc1cccc([N+](=O)[O-])c1C 1870785343 PTRGEFBZQQJCKK-UHFFFAOYSA-N 443.588 6.216 30 10 IKEE C=CCOc1cn(Cc2ccc(Cl)cc2)c(CNc2cc(Cl)cc(Cl)c2)cc1=O 1870811550 BAYNGGHDABIVGB-UHFFFAOYSA-N 449.765 6.034 30 10 IKEE C=CCn1cc(OCCOc2cccc3ccccc23)c(=O)cc1CNc1cccc(C)c1 1871040078 DOAPRGUUGOXIGS-UHFFFAOYSA-N 440.543 5.566 30 10 IKEE C=CCn1cc(OCCCOc2cccc(C)c2)c(=O)cc1CNc1ccc(C(C)C)cc1 1871219314 FJVSXAWBDCXBLN-UHFFFAOYSA-N 446.591 5.926 30 10 IKEE CCCCCCCCn1cc(OCCCO)c(=O)cc1CNc1ccc(C)c(Cl)c1 1871266549 ZJFQAACARBJHRJ-UHFFFAOYSA-N 435.008 5.544 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc4c3CN(CCCCc3ccccc3)CO4)C2=O)cc1 1871354425 QAWSFUPVOXWSIM-IMRQLAEWSA-N 439.555 6.040 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccccc1)C3=O)CN(C13CC4CC(CC(C4)C1)C3)CO2 1871359680 VQCBAXSTMCYSHF-VROXFSQNSA-N 427.544 5.732 30 10 IKEE Cc1cc(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc2c1C(=O)/C(=C/c1cccs1)O2 1871373035 XWPZWRZSHXRWOV-ZDLGFXPLSA-N 441.848 5.454 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)cc(C)c3C2=O)cc1 1871388457 XEGBQICWYQLXNZ-MYYYXRDXSA-N 442.511 6.180 30 10 IKEE Cc1c(OC(=O)c2cccc(OC(C)C)c2)ccc2c1O/C(=C\c1ccc(F)cc1)C2=O 1871388486 YKIDDLZUYZPCPB-QRVIBDJDSA-N 432.447 5.757 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OCCCOc4ccccc4)c3C)C2=O)c(OC)c1 1871397028 GCHIGECNADAJDK-XYGWBWBKSA-N 446.499 5.476 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(O[C@H](C)C(=O)Nc4ccc(F)cc4)c3C)C2=O)cc1 1871400437 CAKRIKFXUKFMKZ-WMWHPZEKSA-N 445.490 5.719 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2)C3=O)cc1 1871404812 ARDFUADLANXALS-PGECNJAHSA-N 429.472 5.026 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(F)c(F)c4F)ccc3C2=O)cc1 1871443576 YQTABINIWVKHBI-JMIUGGIZSA-N 439.389 5.046 30 10 IKEE Cc1cc(C)c(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2cccc(F)c2)C3=O)c(C)c1 1871459394 XVOJHGNNRYIVKT-FMCGGJTJSA-N 445.490 5.693 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc(OCC(=O)Nc3ccccc3)c2C)C1=O 1871460164 YLHVESVXKFDWGW-HAHDFKILSA-N 429.472 5.027 30 10 IKEE C=C(C)CN([C@@H](C)C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)S(=O)(=O)c1ccccc1 1872322288 RRMDHLXNKBWSIH-FQEVSTJZSA-N 442.625 5.527 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NS(=O)(=O)c1cc(C)ccc1C 1872612378 CJMLGGVVKLLYQZ-QFIPXVFZSA-N 438.678 5.397 30 10 IKEE COc1ccccc1-c1csc([C@@H](C#N)C(=O)CCCOc2ccc(C(C)(C)C)cc2)n1 1872766888 LJRFOAAIFXMLOZ-NRFANRHFSA-N 448.588 6.152 30 10 IKEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)c(C)c1 1872769614 WPWGYNOCRYOOTL-IBGZPJMESA-N 446.532 5.425 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3C(=O)c3ccccc3)n2)c(C)c1 1872769634 XCWVNUBKTFEDER-HSZRJFAPSA-N 436.536 6.148 30 10 IKEE CC(C)c1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccc(Cl)cc3)n2)cc1 1872776044 HEEXZLRHBDTCAK-OAQYLSRUSA-N 438.980 6.622 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(Cl)ccc2OC)=C(c2ccccc2)C1=O 1873415712 YNDINFLXBZGJNQ-UHFFFAOYSA-N 440.971 5.901 30 10 IKEE Fc1ccc(-n2ncc3c(Nc4cc(C(F)(F)F)cc(C(F)(F)F)c4)ncnc32)cc1 1873468256 LQQNHHJQCXBGIY-UHFFFAOYSA-N 441.310 5.736 30 10 IKEE CCCSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1cccc(F)c1 1874198549 GZANTZQTJMQUSR-OVVQPSECSA-N 448.567 5.966 30 10 IKEE C=C(C)CSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1cccn1C 1874205938 BPGBQYCDKCOECU-LSHDLFTRSA-N 436.368 5.053 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccc(C)cc3)n2/N=C/c2ccncc2)CC1 1874286227 VLXVHOFLGYDFCN-MTDXEUNCSA-N 447.652 6.620 30 10 IKEE COc1ccc(/C=N/n2c(CCOc3ccccc3)nnc2SCc2ccccc2)cc1 1874346571 VWGLEUWHZAGDJC-NLRVBDNBSA-N 444.560 5.083 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2Cl)n1/N=C/c1cccn1C 1874395906 YGTZXUIEDOTKIF-SCELWYEFSA-N 435.984 5.596 30 10 IKEE Fc1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2c(F)cccc2Cl)cc1 1874426301 BCPHXODXIDTUQT-LGJNPRDNSA-N 440.906 6.051 30 10 IKEE COC(=O)c1ccc(CSc2nnc(CC(C)(C)C)n2/N=C/c2ccccc2Cl)o1 1874438182 OBLVRMUXCNRLAX-FSJBWODESA-N 446.960 5.074 30 10 IKEE Cc1ccccc1CSc1nnc(C2CCCC2)n1/N=C/c1cn(C)c2ccccc12 1874452055 BGWDNYZNZBKPLG-CVKSISIWSA-N 429.593 5.910 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccccc3C)nnc2-c2ccco2)c1OC 1874464653 VGLCNNWPBGYMSG-ZVHZXABRSA-N 434.521 5.038 30 10 IKEE COc1cccc(/C=N/n2c(CC(C)C)nnc2SCc2ccc(Cl)c(Cl)c2)c1 1874491432 QOROVWVRHRZRJZ-WYMPLXKRSA-N 449.407 5.967 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(COC)nnc2SCc2ccc(C)cc2)cc1 1874498747 FWWUQHGITPHFEL-PCLIKHOPSA-N 438.597 5.476 30 10 IKEE CC(C)c1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874515781 PQOQKDLWFVMUNK-AUEPDCJTSA-N 439.799 6.536 30 10 IKEE Sc1nnc(CCc2ccccc2)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874560782 OUHBYDXZWQOHDT-WGOQTCKBSA-N 448.979 5.467 30 10 IKEE CCCOc1ccc(/C=N/n2c(S)nnc2CCCOc2ccc3ccccc3c2)cc1 1874569347 SIFCXWYFGXNHCB-NLRVBDNBSA-N 446.576 5.403 30 10 IKEE CCOC(=O)c1ccc(COc2c(/C=C/C(=O)c3ccc(C(C)C)cc3)cccc2OC)o1 1874584163 ZQRYXRLUGPTBQM-FYWRMAATSA-N 448.515 6.063 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccccc1OCC(=O)Nc1cc(C)cc(C)c1 1874585858 IWZALDBKKJSTFW-ZHACJKMWSA-N 443.543 5.842 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2)cc1C 1874590934 LXDUSTCAKDFQHS-SDNWHVSQSA-N 429.516 5.534 30 10 IKEE O=C(/C=C/c1cccc(OCc2c(F)cccc2Cl)c1)c1ccc(-c2ccccc2)cc1 1874592980 MBLOZWOPPOBELO-SFQUDFHCSA-N 442.917 7.621 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c(Br)c1OCCCO 1874596890 IISIQUVAFPYUHS-XYOKQWHBSA-N 447.369 5.413 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC)c(OCc3ccccc3)c2)c1 1874599245 CNIMOABUOARFOI-SDNWHVSQSA-N 432.516 5.968 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1ccccc1 1874660568 OFTLLMPILSFJKR-SANMLTNESA-N 447.623 5.305 30 10 IKEE C[C@H](C(=O)Oc1cccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c1)c1ccccc1 1874692985 HRXJLSUYGORADY-QDUHJBTASA-N 432.519 6.959 30 10 IKEE CCCCCCCCC(=O)Oc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC 1874699626 DWODZRXXDNEPPV-GXDHUFHOSA-N 430.491 6.526 30 10 IKEE Cc1cc(C(=O)/C=C/c2cccc(OC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)c2)ccc1F 1874703927 ODZVOWDDSDQWNB-JAGOQAECSA-N 434.894 6.393 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)[C@@H](C)c2ccccc2)c1 1874716397 PZVCBLYXGUCMAX-HHNLSAEISA-N 434.919 6.262 30 10 IKEE CCCCCCCCC(=O)N1[C@H](C)CSc2nnc(CCCOc3ccc(C)cc3)n21 1875066802 KRCOPVBZZKPPRR-HXUWFJFHSA-N 444.645 5.308 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)c1 1875102495 KFLOAWRKMIQYKW-KPKJPENVSA-N 437.835 5.372 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)ccc1OC(=O)CCOc1ccccc1 1875102806 FXRYHDPHKKAUGJ-FOWTUZBSSA-N 444.527 5.918 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C(F)(F)F)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 1875105068 CCRMVGWKHYXPBM-ORCRQEGFSA-N 434.153 5.265 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)cc2)c(C)c1 1875131655 IKJFYROXTIQZKT-TYXCHYJQSA-N 430.931 6.562 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Br)c1OC(=O)CC(C)C 1875142060 JJRBZTDLMBVUBZ-VMPITWQZSA-N 449.316 5.753 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1 1875153896 CXQKBDNUEGZJGF-LVZFUZTISA-N 442.514 7.037 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(OC)c1OC(=O)c1ccccn1 1875153978 IEKUOSKKSYLVFU-BUHFOSPRSA-N 439.467 5.367 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(OC)c1OC(=O)C1CCCC1 1875154270 WKKCDYGINCNKLI-CCEZHUSRSA-N 430.500 5.849 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)CC1CCCCC1 1875157340 ZKHCWHCCRQHJAX-MHWRWJLKSA-N 434.576 6.981 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)cc3)c([N+](=O)[O-])c2)c(OC)c1 1875178296 CNCHNSWGYXBCRH-WUXMJOGZSA-N 447.443 5.036 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(N(C)C)cc2)cc1 1875191835 GWXXLGNMASLKGX-MKMNVTDBSA-N 435.907 5.530 30 10 IKEE C=CCC(CC=C)OC(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 1899401393 MNAQEMJWKYALOA-AREMUKBSSA-N 447.575 6.004 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CN(CCC(F)(F)F)C(=O)OC(C)(C)C)NCCC 1922093196 AMHFGLDNCLOTCR-HXUWFJFHSA-N 444.538 5.317 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCC(C)(C)C[C@@H]1CNC(=O)OC(C)(C)C 1927164036 BETLMENHQKUCPS-RHGYRFJNSA-N 437.625 5.635 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 2005387573 ULPGGRIRIXLAJC-DEOSSOPVSA-N 435.609 5.630 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@](C)(C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)cc1 2027947612 JVUKKSDNJLNASW-VWLOTQADSA-N 443.588 6.342 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)C2(C)C)c1 2035990788 UDKDTXKSEGPIMG-XMMPIXPASA-N 445.560 5.118 30 10 IKEE N#Cc1c(Sc2ncc(C(F)(F)F)cc2Cl)nsc1C=CNc1ccccc1 2040740849 WLACFGSAVVFSGN-UHFFFAOYSA-N 438.887 6.316 30 10 IKEE CCCCCCC[C@@H](NCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2041898472 ZSVRFYCFYGJHKG-SQHAQQRYSA-N 446.676 6.169 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCC23CC(NC(=O)OC(C)(C)C)C3)c1 2064203105 NGBACXIMUJNZHR-VHNLKAGOSA-N 441.572 5.466 30 10 IKEE CC1(C)CC=C(C(=O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CC1 2071346549 AFEFXODJKGDBLP-UHFFFAOYSA-N 426.556 7.164 30 10 IKEE C[C@@H]1CCC[C@@]1(C#N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071352573 ALUOVKBSAQQLPB-MHWRTBLVSA-N 427.544 6.208 30 10 IKEE C=C1CCC(C[C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CC1 2075723409 DHONMSYVGNNDCJ-HHHXNRCGSA-N 428.572 7.015 30 10 IKEE C=C[C@]1(Oc2ncc(Br)c3ccsc23)CCN(C(=O)OC(C)(C)C)C1 2078107744 GVCYJYFFZRCARN-SFHVURJKSA-N 425.348 5.003 30 10 IKEE CSc1ccc([C@H](n2nc(C)c(C#N)c2I)C(C)(C)C)cc1 2080088729 RNEUPSKURKGOCO-HNNXBMFYSA-N 425.339 5.025 30 10 IKEE CCCOc1ccc([C@H](n2nc(CC)c(C#N)c2I)C2(C)CC2)cc1 2080126213 NKIXHJPOFKFIJW-SFHVURJKSA-N 449.336 5.100 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cccc(Br)c1Cl 2081389244 UWVDNMZQZGWCEJ-WBVHZDCISA-N 431.802 5.613 30 10 IKEE C=CCCCCCCCCC[C@H](O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2086264680 WJCFTYYNMQETMV-DQEYMECFSA-N 446.676 6.070 30 10 IKEE C=CCC[C@H](C)[C@@H](NCCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2102111044 KDLGOPQKDXJMJN-HNAYVOBHSA-N 425.411 6.439 30 10 IKEE C#CCN1CCC(NCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CC1 2139208194 TYPFSDGGBHJZLG-UHFFFAOYSA-N 440.587 5.032 30 10 IKEE CCC1(CC)OCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2155125613 LYIWFRJETIJTTQ-HXUWFJFHSA-N 437.378 5.822 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cccc(OC)c1Br 2207351887 PEVCTZAPBCSGSN-APWZRJJASA-N 441.410 5.358 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 2213337867 WYLPZGQSMMKISS-RGKFVRLKSA-N 435.609 5.341 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2sc(C)c(C)c2Br)c1 2229238858 OLMSWMUZCKQHFG-INIZCTEOSA-N 435.387 6.442 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)cc(F)cc1Br 2233944826 IDUZSFCSOGOZOC-SJLPKXTDSA-N 445.348 5.075 30 10 IKEE C=CCC[C@H](C)[C@H](NCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237431594 VVVDPRVVVQDRFO-DBVUQKKJSA-N 439.438 5.465 30 10 IKEE CCN[C@H](C#Cc1ccc(Cl)cc1)c1cc(Br)sc1Br 2239565812 ZZWWEZVDAAONRK-CYBMUJFWSA-N 433.596 5.629 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 2248877720 GXFXTYZPSWAELF-PXBRLVMASA-N 433.593 5.142 30 10 IKEE C#CC(C)(C)C[C@@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2276676618 KPOIDPYUUYSVLP-MUUNZHRXSA-N 443.587 5.911 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(OC)c(Br)s1 2278282345 PSMFHBLKDRGDCM-CJNGLKHVSA-N 447.439 5.419 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Br)cc(C(C)C)c1 2280721146 XNBXUBAUVXFCHX-VQTJNVASSA-N 437.422 5.530 30 10 IKEE CN[C@@H](CC=CC#CC(C)(C)C)c1cc(I)ccc1Br 2284158972 MUJIDJUSLKBCCE-INIZCTEOSA-N 446.170 5.310 30 10 IKEE COCCN1C(=O)C(=Cc2cccn2-c2ccc(Cl)cc2)SC1=Nc1ccccc1 2294025297 BAZHUGCCVDXIAJ-UHFFFAOYSA-N 437.952 5.381 30 10 IKEE Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccccc3)[C@@H]2c2ccccc2Cl)cc1Cl 2297060179 HJHGJWDSOMTVAL-NRFANRHFSA-N 438.310 5.928 30 10 IKEE O=C1NC(=Nc2cccc(Cl)c2Cl)SC1=Cc1c2ccccc2cc2ccccc12 2313541499 LOESAQALWJQRCG-UHFFFAOYSA-N 449.362 7.191 30 10 IKEE COc1ccccc1C=C1Oc2cc(OCc3ccc(Cl)c(Cl)c3)ccc2C1=O 2314437961 CAADHEUFRNSBQW-UHFFFAOYSA-N 427.283 6.197 30 10 IKEE C=CCCC1([C@@H](NC)c2cccc(OCc3ccccc3)c2)CN(C(=O)OC(C)(C)C)C1 2314454698 IIEZNZZTOOIAKG-DEOSSOPVSA-N 436.596 5.729 30 10 IKEE CC(=O)Nc1cccc(C(=O)C=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c1 2314523558 YVZWYVSASOJPOG-UHFFFAOYSA-N 441.918 6.047 30 10 IKEE O=C1C(=Cc2ccccc2[N+](=O)[O-])SC(=Nc2cccnc2Cl)N1C1CCCCC1 2314539805 BGOBBQAXWCGHAP-UHFFFAOYSA-N 442.928 5.580 30 10 IKEE N#Cc1cc(Br)ccc1Oc1cc(Br)cc(Br)c1 2316720008 KWHYPSCBOJPGKT-UHFFFAOYSA-N 431.909 5.638 30 10 IKEE CCCCSc1nnc(CCC)n1N=Cc1cccc(OCc2ccccc2Cl)c1 2321762445 LPNKTMVKLILMNN-UHFFFAOYSA-N 443.016 6.237 30 10 IKEE Fc1ccc(COc2ccc(C=Nn3c(S)nnc3CCc3cccs3)cc2)cc1 2321988275 VTMIYUWARNCJRI-UHFFFAOYSA-N 438.553 5.014 30 10 IKEE COc1ccccc1C(=O)C=Cc1c(OCc2cccc(Cl)c2)ccc2ccccc12 2322477343 IWTOSNCHUYRHLU-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE CCCN(CCC)C(=O)COc1ccccc1C=CC(=O)c1ccc(Cl)c(Cl)c1 2322580322 HTHHKVKTDZPQNS-UHFFFAOYSA-N 434.363 5.917 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1ccccc1F)c1ccc(Cl)c(Cl)c1 2322585660 ZLKMWOUTGRNHBY-UHFFFAOYSA-N 435.709 7.261 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2cc(C)cc(C)c2)c(OC)c1 2322904180 QOFBXHHECGACDK-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE O=C(C=Cc1ccccc1Br)C(=O)N(Cc1ccccc1)Cc1ccccc1 2323201788 PUSVOCNCIZOGDS-UHFFFAOYSA-N 434.333 5.260 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1Cl)Nc1ccc(F)cc1 2323766027 CGRWDYPEXQIREM-UHFFFAOYSA-N 444.289 6.046 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1cccc(F)c1 2323783489 VCXDKSKHCWCRFH-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OCc1c(Cl)cccc1Cl 2323807871 JOGPBASPDQJBET-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OCC 2323865526 OIBUARQASBKUSJ-UHFFFAOYSA-N 437.580 5.626 30 10 IKEE CC(C)COC(=O)COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1Cl 2323879979 BDTJWLQVNRWXIP-UHFFFAOYSA-N 441.738 6.121 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OCc1ccccc1C 2324280882 QJJUXNTYAFSFKK-UHFFFAOYSA-N 444.571 6.919 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2F)C3=O)cc1 2324376023 XXLHVEPYJNYCGC-KRWDZBQOSA-N 431.463 5.465 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc([N+](=O)[O-])c1OCc1cccc(C)c1 2324451923 UODGIBMEIRYSGS-UHFFFAOYSA-N 445.515 6.394 30 10 IKEE COc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)c(OC)c1 2324611508 DHZVLHJGBUPLRL-OAQYLSRUSA-N 446.572 6.014 30 10 IKEE COC(=O)c1cccc(COc2ccc3c(c2)OC(=Cc2c(F)cccc2Cl)C3=O)c1 2324745101 MGRQRAXQJFIUAG-UHFFFAOYSA-N 438.838 5.461 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(OC)c(OC)c1 2325532501 KIJJEYSGVJGRSX-UHFFFAOYSA-N 444.988 5.466 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccccc1C(=O)O 2325571924 VPPMQMLJNVSUSQ-UHFFFAOYSA-N 449.363 5.410 30 10 IKEE Cc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(C(F)(F)F)cc1 2325642836 NYZAKSIDPBBCGA-UHFFFAOYSA-N 428.842 5.572 30 10 IKEE COc1cc(C=CC(=O)C(=O)Nc2cccc3cccnc23)ccc1OCc1ccccc1 2325649725 QOWAPOCRQSLVER-UHFFFAOYSA-N 438.483 5.043 30 10 IKEE Cc1cc(OCC(=O)Nc2cccc3ccccc23)cc2c1C(=O)C(=Cc1ccco1)O2 2325707106 FJVNLUWETCBDMI-UHFFFAOYSA-N 425.440 5.375 30 10 IKEE Cc1cc(C)c(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2F)C3=O)c(C)c1 2325736795 AMBHVNVIXQSFGA-UHFFFAOYSA-N 445.490 5.693 30 10 IKEE CCc1ccc(CCC(=O)Oc2cccc(C=CC(=O)c3ccc(C(C)C)cc3)c2)cc1 2325750810 UZHRJCGTGMHZIZ-UHFFFAOYSA-N 426.556 6.807 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2cc(OCC)c(O)c([N+](=O)[O-])c2)cc1 2325794389 PGJIGOKTYARVFF-UHFFFAOYSA-N 427.497 5.944 30 10 IKEE CSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1ccc(Cl)cc1 2325901998 LRIWPHYMORNEIC-UHFFFAOYSA-N 428.989 5.721 30 10 IKEE CCCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccc(F)cc1 2326142090 XZEAZKZJEXXEMR-UHFFFAOYSA-N 432.952 5.651 30 10 IKEE CCCSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1sccc1C 2326398888 JLXIKJQDGURHNI-UHFFFAOYSA-N 428.627 5.661 30 10 IKEE Cc1[nH]c2ccccc2c1C=Nn1c(C)nnc1SCc1ccc(Cl)c(Cl)c1 2326490034 CODHLKALFBACKO-UHFFFAOYSA-N 430.364 5.858 30 10 IKEE CCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccccc1C(=O)O 2326927104 KITFIROFSVEGMU-UHFFFAOYSA-N 438.597 5.120 30 10 IKEE CCCSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1ccc(N(C)C)cc1 2327386121 UEQUIJJNKIQDEE-UHFFFAOYSA-N 437.613 5.260 30 10 IKEE Fc1ccc(CSc2nnc(CCc3ccccc3Cl)n2N=Cc2ccc[nH]2)cc1 2327929492 VLCFKWYUWKBMCM-UHFFFAOYSA-N 439.947 5.358 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccc(C)c(C)c3)n2N=Cc2ccc[nH]2)c1 2328933351 NEPDNYMDCBHRMN-UHFFFAOYSA-N 429.593 5.491 30 10 IKEE Fc1ccccc1CSc1nnc(CCOc2ccccc2)n1N=Cc1ccccc1 2329193287 VHEXJNFPVXLLJE-UHFFFAOYSA-N 432.524 5.213 30 10 IKEE Cn1cccc1C=Nn1c(SCc2cccc(F)c2)nnc1-c1ccccc1Cl 2329553939 ACDCBVFCQPUQNY-UHFFFAOYSA-N 425.920 5.251 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(C)c3)n2N=Cc2ccccc2Cl)cc1 2329949768 MEVGUDRMIWQXKD-UHFFFAOYSA-N 447.007 6.314 30 10 IKEE CCCCCOc1ccc(C=Nn2c(CCc3ccccc3)nnc2SC)cc1OC 2330155890 BEOIYBIGBABYJZ-UHFFFAOYSA-N 438.597 5.245 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)C=Cc1ccc(F)cc1)c1ccccc1 2330532989 YRGQENKCBATSFH-SANMLTNESA-N 438.587 5.953 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1ccc(F)cc1F 2330676724 AQLYRMBDKDWUOB-UHFFFAOYSA-N 444.433 6.242 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)cc([N+](=O)[O-])c1OC(=O)C1CCCC1 2330938731 PXFAPMHYGMBHBZ-UHFFFAOYSA-N 443.883 5.639 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2ccccc2C)nnc1C1CCCC1 2331030574 JOROPNOYAXJBNT-UHFFFAOYSA-N 434.609 6.207 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Cl)c(OC(=O)Cc2ccccc2)c(OC)c1 2331048984 PRHOIOQTZFMBQS-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCc3ccccc3C)nnc2-c2ccco2)cc1 2331174289 INYGFHMJRXADTD-UHFFFAOYSA-N 445.592 5.867 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1OC(=O)c1ccccc1C 2331279539 KVGKYXYXKICTEO-UHFFFAOYSA-N 445.471 5.726 30 10 IKEE CC(C)COC(=O)CSc1nnc(C(C)(C)C)n1N=Cc1ccc(C(C)(C)C)cc1 2331408339 ZHRXZLFMDIPVQA-UHFFFAOYSA-N 430.618 5.047 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccc(F)cc1 2331429879 PRTIFQFXQOZAJE-UHFFFAOYSA-N 432.491 6.247 30 10 IKEE CC(C)Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1c(F)cccc1Cl 2331443855 FYMFIHCOIJDJEY-UHFFFAOYSA-N 447.923 5.352 30 10 IKEE Cc1cccc(C=Nn2c(CC(C)C)nnc2SCc2c(Cl)cccc2Cl)c1 2331462755 MYTNLDBVVYLWHK-UHFFFAOYSA-N 433.408 6.266 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)c1cnc(C)cn1 2331492768 NZWRWYKGZHZMJH-UHFFFAOYSA-N 446.503 5.041 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2Cl)cc1C 2331493296 SWVOISJADDSRRC-UHFFFAOYSA-N 446.974 7.124 30 10 IKEE Oc1ccc(Cl)cc1C=Nn1c(SCc2cccc(Cl)c2)nnc1C1CCC1 2331541796 VPNUGEHLLZKLMV-UHFFFAOYSA-N 433.364 5.733 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C(C)(C)C)ccc3OC)cc2)cc1 2331546004 PTKKDIDAZDEWOA-UHFFFAOYSA-N 444.527 6.117 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2)c(OC)c1 2331704591 IEAYYYFZFAFDGF-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)CC(C)C)c(OC)c2)cc1Cl 2331819039 DMHMGCKWUPRGGX-UHFFFAOYSA-N 432.900 5.213 30 10 IKEE C[C@H]1C[C@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN(Cc2ccccc2)C1 2339534328 DXCMFJGPQZDSQP-REWPJTCUSA-N 433.405 5.049 30 10 IKEE Cc1cc(CNc2ccccc2OCc2ccccc2)cc(B2OC(C)(C)C(C)(C)O2)c1 2343645045 KZZIAJPNPQPSML-UHFFFAOYSA-N 429.369 5.485 30 10 IKEE CCCCCCCCCC[C@H](N)c1ccc(OCc2ccccc2)cc1Br 2361169743 YDURJXFFOJWEDH-DEOSSOPVSA-N 432.446 7.559 30 10 IKEE COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C/c1c(Cl)cccc1Cl)C2=O 2422815 WYFYGZJNMVIGIE-CIAFOILYSA-N 441.266 5.837 30 10 IKEE Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(SCc4ccccc4F)nn32)cc1 20850302 NUKWBMSLRRIYTB-QFIPXVFZSA-N 448.567 5.676 30 10 IKEE COc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccccc1OC 21253510 ZNZRVYAPQWFLFB-XGCWNURASA-N 426.516 5.683 30 10 IKEE C=CCC[C@@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1 36304551 NEVFBBFLVGRZEP-HSZRJFAPSA-N 449.595 5.521 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccccc1OC 40081138 NNNPDELQJPTPDI-QHCPKHFHSA-N 437.536 5.108 30 10 IKEE C=CCc1ccccc1OCCCCn1c(CCCNC(=O)CCC)nc2ccccc21 40204523 LFJBEDRDKAQXPZ-UHFFFAOYSA-N 433.596 5.473 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4cc5ccccc5o4)ccc3C2=O)cc1OC 41352659 URKOZUXHHBXMFK-FMCGGJTJSA-N 442.423 5.285 30 10 IKEE COc1cc(OC)c(OC)cc1/C=C1\Oc2c(ccc(OCc3ccccc3C)c2C)C1=O 41433002 VFGCUFSLGZDINI-MXAYSNPKSA-N 446.499 5.524 30 10 IKEE COc1cc(/C=C(\C(=O)c2ccc(Cl)cc2)c2nc3ccccc3[nH]2)cc(OC)c1O 50575435 RHECHUGVNDOIJO-GZTJUZNOSA-N 434.879 5.363 30 10 IKEE CCCCCCCCCCCC[C@H](CCCCCCC)NS(=O)(=O)c1ccccc1 103000494 AHYGKUANTWGWIJ-VWLOTQADSA-N 437.734 8.005 30 10 IKEE CCCCCCCCCCCCO[C@H](CC(OCC)OCC)n1nnc2ccccc21 103005420 PYVFFBFMLAMARI-XMMPIXPASA-N 433.637 6.657 30 10 IKEE Fc1ccc(N2C(=S)C3(CCCCC3)[C@H](N3CCCCC3)/C2=N/C2CCCCC2)cc1 105422109 VVWRIFLZGXTUFT-YHMQUTQNSA-N 441.660 6.509 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(CC)cc3)[C@@H]2c2cccc(C)c2)c1 169966426 CEZQAKYSDLXULL-VWLOTQADSA-N 441.527 5.739 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2cccs2)cc1 169983150 DJQBXJPRJXBKBI-HSZRJFAPSA-N 445.540 5.589 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@H]2c2ccccn2)cc1C 169996575 FXZOGRWCVJYAOU-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccncc1 170022167 ZCNWXYDYOYZMAO-JOCHJYFZSA-N 444.874 5.573 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@@H]2c2ccccc2)cc1C 170050372 JJSXYNZHCGSYDD-JOCHJYFZSA-N 435.882 5.879 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2c[nH]c3ccccc23)ccc1F 170074063 PENXRVPBWJQBPX-HSZRJFAPSA-N 444.437 5.537 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1c[nH]c2ccccc12)c1ccc(Cl)cc1 170076736 PDALPUXAJVLTHC-NRFANRHFSA-N 432.863 5.193 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc(O)cc1)c1cccc2ccccc12 170131312 FTHTYJUXIAQMCP-XMMPIXPASA-N 439.442 5.467 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2cccs2)cc1C 170155506 QLRGBCCXZWKQKJ-OAQYLSRUSA-N 437.492 5.377 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C2CCCC2)cc1 170214809 XGOFGCPRMDWCNN-VWLOTQADSA-N 441.527 5.759 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1cccc(OCC)c1 170218259 DATJVOYKZRTAPI-QHCPKHFHSA-N 432.520 5.335 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3c(OC)cccc3OC)=C(O)C(=O)N2C2CCCCC2)cc1 170266690 WWWVUUDXNKDBDL-XMMPIXPASA-N 449.547 5.177 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccco2)c1 170282047 GJPCGTLIDONXRK-IBGZPJMESA-N 445.805 5.003 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(C)cc4)[C@H]3c3ccco3)oc12 170287752 TXXBDZKJMPUXKP-NRFANRHFSA-N 429.428 5.126 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccco1 170288808 RZGHESKZOWPAMX-FPTDNZKUSA-N 449.890 5.348 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2ccccc2)o1 170302785 BJPKYVDVFXHRCF-IBGZPJMESA-N 438.277 5.133 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2cc(F)ccc2F)o1 170306190 OBDNXEWZSDMXNX-FQEVSTJZSA-N 427.378 5.097 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1sccc1C 170319251 CJXOLUHCWAGOST-FQEVSTJZSA-N 427.566 5.612 30 10 IKEE C=CCN1C(=O)C(=Nc2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c2ccccc21 252460170 CGLWHPDRLXTWGC-UHFFFAOYSA-N 441.556 5.533 30 10 IKEE CCCN1C(=O)/C(=C/c2cc(Cl)c(O)c(OC)c2)SC1=Nc1ccc(OCC)cc1 252635950 XCYWWJXXNPXLAA-GIFQUSADSA-N 446.956 5.467 30 10 IKEE Oc1ccccc1N=NC(=NNc1nc2ccccc2n1Cc1ccccc1)c1ccccc1 254743126 NWJILJNACPMLER-UHFFFAOYSA-N 446.514 6.348 30 10 IKEE CC1(C)OB(CCC[C@@H](N)c2cc(Br)cc(Br)c2)OC1(C)C 383819650 HFKAZZYSCPLGPC-CQSZACIVSA-N 432.993 5.084 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526488605 QERNIACTBQRKKS-XMMPIXPASA-N 442.946 6.566 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1ccc(OCC)c(OCC)c1 526804567 XSZPFGOHLFOLJO-XYGWBWBKSA-N 438.597 5.511 30 10 IKEE Cc1cc(C)cc(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccc(O)c(O)c2)c1 526810815 NSBCJLGDTYKIOE-YSMPRRRNSA-N 444.560 5.071 30 10 IKEE CCc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2cccc(F)c2)cc1 526825618 GYJDNZLUQJTYMD-PKAZHMFMSA-N 430.552 5.745 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1cccc(OCCC)c1 526825755 KCDXCEQRFVBPSC-XYGWBWBKSA-N 426.561 5.723 30 10 IKEE Cc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2ccc(C(F)(F)F)cc2)cc1C 586209980 MKKUDXSCCSXINN-UHFFFAOYSA-N 444.478 5.589 30 10 IKEE N#Cc1ccccc1NC(=O)Nc1ccc(C(=O)Nc2cccc(Br)c2)cc1 586721286 BFBIYZQJSPOHPC-UHFFFAOYSA-N 435.281 5.217 30 10 IKEE COCc1ccccc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 698456926 JWPPJPCOPPWZKY-LJQANCHMSA-N 431.330 5.602 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@H](C#N)c1cc(F)ccc1Br 698867062 OUXAWRIMVGYUFS-INIZCTEOSA-N 425.323 5.652 30 10 IKEE C[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)CN1Cc1ccccc1 698900359 FMYQJUAXGFGTQG-MHECFPHRSA-N 425.960 5.638 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 698955205 DUZMQGRUOVNVTO-HJPURHCSSA-N 449.979 5.621 30 10 IKEE CCCCCCCC[C@H](O)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 708578993 VVPSZMKVRNOKPW-UXHICEINSA-N 442.438 5.996 30 10 IKEE C#Cc1cccc(NC(=S)/C(=C(/O)c2cc3ccccc3o2)[n+]2cc(O)ccc2C)c1 726572384 ARCKUTBMBUDDJT-UHFFFAOYSA-O 427.505 5.039 30 10 IKEE Cc1ccc2c(c1)S/C(=C1/C[C@@H]3[C@@H]4CC[C@H]5CCCC[C@@]5(C)[C@H]4CC[C@@]3(C)C1=O)S2 1074653297 YMDSWPZYGHRYGY-DUFUGZAGSA-N 438.702 8.016 30 10 IKEE CO[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@@H]3C[C@H](C#N)[C@]2(O)C1 1076482234 IKAYYSYGCHKPAB-ZBSQSTRTSA-N 443.716 6.987 30 10 IKEE C=CCn1cc(C=Nc2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c2ccccc21 1084457913 WUUWTOOBNAHWGO-UHFFFAOYSA-N 439.584 6.771 30 10 IKEE CCCN(CC(=O)Nc1nc(C)c(Cc2ccc(C)cc2)s1)Cc1ccc(C#N)cc1 1653156309 BLMOPWQGZLSYRS-UHFFFAOYSA-N 432.593 5.073 30 10 IKEE CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=Nc1nccs1 1772738713 VVPRKYONQGZFRD-PRZRADHTSA-N 436.345 5.944 30 10 IKEE C=CCN1C(=O)[C@H](CC(=O)c2ccc(Cl)c(C)c2)SC1=Nc1ccc(Cl)cc1 1772760161 VRTXUIIZYNZSQQ-IBGZPJMESA-N 433.360 5.692 30 10 IKEE OCc1cc(-c2c(F)c(F)c(F)c(F)c2F)nc(-c2c(F)c(F)c(F)c(F)c2F)c1 1848358436 FQJUWOWGAFMFMW-UHFFFAOYSA-N 441.224 5.299 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2cccc3c(NC(=O)c4cccc(C#N)c4)cccc23)cc1 1858930202 XCSBFZLTJLUCGQ-UHFFFAOYSA-N 448.522 6.480 30 10 IKEE CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H](C)Oc1cccc(NC(=O)c2cccc(C#N)c2)c1 1860133714 XFBGPARIQSXONC-PIYXRGFCSA-N 448.563 5.582 30 10 IKEE N#Cc1cccc(C(=O)N2CC=C(c3ccc(OC(=O)c4cc5ccccc5[nH]4)cc3)CC2)c1 1860685233 ZOCVQDZQHVJITC-UHFFFAOYSA-N 447.494 5.188 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1Cl 1861019545 ZQOVUNLMKWXULH-DEOSSOPVSA-N 443.031 5.938 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(C)cc1 1862429973 ZFQWGKACMNEXOW-QFIPXVFZSA-N 441.955 5.434 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(F)cc1)c1ccccc1Cl 1862430357 ISHJVUXPTLSDEV-OAQYLSRUSA-N 439.845 5.397 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862436356 QXUYHJAJMBLAFH-IBGZPJMESA-N 428.872 5.017 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(Cl)cc1Cl 1862467028 GJNLGUVWFBEKKB-KRWDZBQOSA-N 444.236 5.397 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C(=O)O)cc1 1862478745 PPNYLHIEHKFOBC-GGAORHGYSA-N 449.547 5.630 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1c(F)cccc1Cl 1862480603 KNBOZSKABLWHOF-OAQYLSRUSA-N 429.919 5.946 30 10 IKEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccccc2)cc1 1862507433 LEFYUPVNVUBSJT-MZNJEOGPSA-N 445.490 5.482 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(Cl)cc1 1862527197 RPPDATZRXHRHNW-QGZVFWFLSA-N 434.717 5.091 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2cccc(Cl)c2)cc1 1862556184 QLQQEKAUPYIQGI-HSZRJFAPSA-N 446.934 5.263 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1cccc(Cl)c1 1862557122 JCCVZMDMJSCSBR-IRLDBZIGSA-N 440.971 5.859 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc2cc[nH]c2c1 1862615448 KTDKGMDKPNZXSL-HSZRJFAPSA-N 446.547 5.080 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(CC)cc1 1862615933 NHSYHUNFISAURA-XMMPIXPASA-N 449.591 5.551 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(F)cc1F 1862659796 AUFUVGCTBVYPPY-JOCHJYFZSA-N 443.490 5.093 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(C(C)C)cc2)=C(O)C(=O)N1CCCCN(C)C 1862662057 ZSXXRMBWIUSYMP-XMMPIXPASA-N 434.580 5.039 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862669580 ZSDOBIHDKGRTKX-MHECFPHRSA-N 435.564 5.976 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1[N+](=O)[O-] 1862677090 YWDGDXZSMHFBCI-IVZQSRNASA-N 446.434 5.073 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1cccc2ccccc12)c1ccc(F)cc1 1862677288 CGFHKKHAKARLDF-DEOSSOPVSA-N 438.458 5.152 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(C)cc1 1862713165 ISLQULWVFRODLW-XMMPIXPASA-N 429.516 5.153 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C2CC2)cc1 1862720275 UUYBZYORMOAEPZ-XMMPIXPASA-N 425.528 5.878 30 10 IKEE CCOc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccccc3Cl)C2=O)cc1 1862837547 NPSLRZGWZNGREO-UHFFFAOYSA-N 443.890 5.007 30 10 IKEE CC(C)c1ccc(NC2=C(c3ccccc3Cl)C(=O)N(c3ccccc3C#N)C2=O)cc1 1863083113 ICPCZEAAUATDPU-UHFFFAOYSA-N 441.918 5.732 30 10 IKEE Cc1cc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(F)cc3Cl)C2=O)ccc1F 1863098015 NNVXMLXYSCWSAU-UHFFFAOYSA-N 449.844 5.195 30 10 IKEE CCC[C@H](NC(=O)C[C@@H](c1ccc(Cl)cc1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866759965 BDAVNJLZOFOGPT-YADHBBJMSA-N 425.960 5.265 30 10 IKEE Cc1ccccc1-c1nc(Nc2ccccc2C#N)cc(N2CCc3nc[nH]c3[C@@H]2C(C)C)n1 1868307840 WVFKXODSJZRSIJ-SANMLTNESA-N 449.562 5.550 30 10 IKEE CCCCCCCCCCn1cc(OCc2ccc(C)cc2)c(=O)cc1CSCC 1870218666 OTFDBTUUROPUHI-UHFFFAOYSA-N 429.670 7.130 30 10 IKEE C=CCOc1cn(CCCCc2ccccc2)c(CNc2ccc(OC)cc2C)cc1=O 1870812614 XGHPNKNRLWOOEY-UHFFFAOYSA-N 432.564 5.365 30 10 IKEE C=CCn1cc(OCc2cccc(C)c2)c(=O)cc1CNc1ccc(N(CC)CC)cc1 1871070319 ZSPYCBFHTOAFMK-UHFFFAOYSA-N 431.580 5.380 30 10 IKEE O=C1/C(=C/C=C/c2ccccc2)Oc2cc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])ccc21 1871373442 GVVMCBKFNRGZKE-KACMKLLYSA-N 447.830 5.640 30 10 IKEE CCOc1cc(C(=O)Oc2ccc3c(c2C)OC(=C(C)C)C3=O)cc(OCC)c1OCC 1871373852 IGBXIJNJMFQXPI-UHFFFAOYSA-N 440.492 5.279 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O)/C(Cl)=C/c1ccccc1 1871377507 OFTIUMZZKKYNPJ-FFOWACNVSA-N 447.830 5.396 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c3C)C2=O)cc1 1871383064 BHRSYLNHZZTEDR-NHDPSOOVSA-N 449.846 5.700 30 10 IKEE CCCCC(=O)Oc1ccc2c(c1)O/C(=C\c1cc(Br)ccc1OC)C2=O 1871385969 WJUWSDIYYVVNNV-ODLFYWEKSA-N 431.282 5.170 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1ccco1)C2=O)Nc1nc(-c2ccccc2)cs1 1871417743 YVXFQCIGJQAQME-MTJSOVHGSA-N 444.468 5.037 30 10 IKEE C=CCN(CC=C)c1nc(=NCc2ccccc2)nc(Nc2ccc(CCCC)cc2)[nH]1 1871502497 POODDRVFMVTFRB-UHFFFAOYSA-N 428.584 5.170 30 10 IKEE C=CCN([C@H](CC)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1ccc(Cl)cc1 1872226239 JHDSIKCBGQAWEA-OAQYLSRUSA-N 449.016 5.232 30 10 IKEE CCCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(CC)cc3)cs2)cc1OCC 1872761717 UDEXGQWNHKONNC-NRFANRHFSA-N 448.588 6.440 30 10 IKEE CC(C)(C)c1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 1872773988 DNGKPCXHWHAJKY-FXVWLTTGSA-N 444.556 5.768 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 1872787841 SSNQEAPLNCLCLO-YPHWWSSASA-N 443.355 6.405 30 10 IKEE COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)s3)cs2)cc(OC)c1OC 1872789371 HFOCOAPVTDXMKN-NSHDSACASA-N 434.926 5.041 30 10 IKEE C=CCc1ccccc1OCc1cccc(C(=O)Nc2ccc(C)c(Br)c2)c1 1872833963 JLPBWIORKGSHFM-UHFFFAOYSA-N 436.349 6.317 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H]2CCCC[C@@H]2C)=C(c2cccc3ccccc23)C1=O 1873027095 QSVRXYMOIQLZKC-OFVILXPXSA-N 446.635 6.449 30 10 IKEE CCCCCCCCNC1=C(c2cccnc2)C(=O)N(CCc2ccc(Cl)cc2)C1=O 1873079407 LFIUPNQUEWFDLR-UHFFFAOYSA-N 439.987 5.008 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(C)cc2)C(=O)N([C@@H]2CCCC[C@@H]2C)C1=O 1873143320 IGYKXJZIEWHDHI-LADGPHEKSA-N 438.656 6.384 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)n2C 1873655986 HBLXJJCBPGAQDL-UHFFFAOYSA-N 431.584 5.646 30 10 IKEE CCCSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1cc(C)ccc1O 1874223843 GGBQMAPUVNZSOQ-KOEQRZSOSA-N 438.597 5.250 30 10 IKEE C=C(C)CSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1ccccc1F 1874225416 JSVVZCDDVHPVKZ-CVKSISIWSA-N 438.572 5.596 30 10 IKEE CCCSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1c[nH]c2ccccc12 1874254228 XDQUMRVTHGVVBZ-YZSQISJMSA-N 433.581 5.464 30 10 IKEE C=C(C)CSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccc(OC)cc1 1874254771 AZNGFXPICQLQBA-DHRITJCHSA-N 436.581 5.341 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccccc3Cl)n2/N=C/c2ccco2)cc1 1874265988 ZZEHMWVSPCACRR-ZMOGYAJESA-N 438.940 5.586 30 10 IKEE Cc1ccc(CCc2nnc(SCCc3ccccc3)n2/N=C/c2cccnc2)cc1C 1874330132 MCTSZOZWLPLSOS-TURZUDJPSA-N 441.604 5.292 30 10 IKEE Cc1ccc(C)c(CSc2nnc(COCc3ccccc3)n2/N=C/c2ccccn2)c1 1874355651 UUSZFDGRPFKIKE-JFLMPSFJSA-N 443.576 5.181 30 10 IKEE O=[N+]([O-])c1ccccc1/C=N/n1c(SCc2ccccc2)nnc1-c1ccccc1Cl 1874367263 UJOZJQCVTXZURH-ZVHZXABRSA-N 449.923 5.681 30 10 IKEE Clc1ccccc1CSc1nnc(COc2ccccc2)n1/N=C/c1ccncc1 1874384206 DOZZDOJEBANGEO-AFUMVMLFSA-N 435.940 5.080 30 10 IKEE C(=N/n1c(Cc2cccs2)nnc1SCc1cccc2ccccc12)\c1cccnc1 1874413937 STSTYRZYAWZBLA-WGOQTCKBSA-N 441.585 5.653 30 10 IKEE Cc1cccc(CSc2nnc(-c3cccs3)n2/N=C/c2ccc(F)cc2F)c1 1874422187 YZZMBLHPJVEMBS-WYMPLXKRSA-N 426.517 5.768 30 10 IKEE Oc1cccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CCCC2)c1 1874456313 LHZPEYRZCOEDBD-WGOQTCKBSA-N 428.561 5.969 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C2CCCC2)cc1 1874457031 XCBNORLMVMYMIV-DHRITJCHSA-N 445.419 6.725 30 10 IKEE Clc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2-c2ccco2)cc1 1874468281 AWSKSFOBXYLQHX-FSJBWODESA-N 429.332 6.019 30 10 IKEE COCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccccc1OC(C)C 1874472612 NQWQOQFWRTYRFB-ZVHZXABRSA-N 444.988 5.082 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1/N=C/c1ccc(C(C)C)cc1 1874503302 AVOTVWGKWGTLAU-MFKUBSTISA-N 435.597 5.275 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CC)nnc2SCc2cccc3ccccc23)cc1 1874526235 UKNBIZBBLPARTF-OVVQPSECSA-N 444.604 6.347 30 10 IKEE CCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1cccc(Br)c1 1874527742 DFAQIZJJBXRPEB-SRZZPIQSSA-N 435.778 5.431 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(Br)cc2)c1OCc1ccccc1F 1874574564 SYIRLBQBRPXNJG-SDNWHVSQSA-N 441.296 6.072 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2c(OCC(=O)NCc3ccco3)ccc3ccccc23)c1 1874580439 NXKYKPDJKDACMW-OUKQBFOZSA-N 439.511 5.641 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cc(Cl)ccc1OCCc1ccccc1 1874584383 LQAZADCTKLFROG-JLHYYAGUSA-N 448.990 7.164 30 10 IKEE COC(=O)c1ccc(COc2cc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)ccc2OC)o1 1874597047 QZGFURFFXXGFEL-AWNIVKPZSA-N 448.515 5.847 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3cc(C)ccc3C)c2)c(OC)c1 1874598950 NUKQPWQTYVVOFJ-XYOKQWHBSA-N 432.516 5.804 30 10 IKEE C=C(C)COc1c(Cl)cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1OCC 1874605793 GPCTXAJWWKPPQW-VMPITWQZSA-N 425.739 6.897 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3cccc(F)c3)c(OC)c2)cc1 1874606523 SICOJOYSIYOMJP-NTCAYCPXSA-N 448.534 6.661 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Cl)c1OCc1cccc(F)c1 1874612153 FNYLXWTZFXXPDS-MDZDMXLPSA-N 445.317 7.006 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OCc1cccc(C)c1 1874617706 POMMXIHVVLQRHY-WYMLVPIESA-N 426.556 6.824 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OCc2cccc3ccccc23)cc1 1874635079 GAJPDXJBBPRPSJ-XDJHFCHBSA-N 434.579 7.921 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(CC)cc3)c2)cc1 1874694407 BKPUPDGXSKZVQA-XMHGGMMESA-N 442.555 6.472 30 10 IKEE CCCc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c(F)c3)c2)cc1 1874707183 SPHSFILQCQGCGS-GXDHUFHOSA-N 448.490 5.667 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(Cl)c1OC(=O)C(C)C 1875097395 JBIPHDQFXKRJGJ-FMIVXFBMSA-N 426.940 6.075 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)ccc1OC(=O)[C@H](C)c1ccccc1 1875103458 ZQPSKCCEKHCRJY-XMJIKXADSA-N 428.528 6.253 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1Cl)c1cccnc1 1875104843 QTMBGSMTPQGUOR-XVNBXDOJSA-N 432.690 6.157 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1)c1ccc(F)cc1F 1875120580 ZPBGWZNMYNKKJM-YCRREMRBSA-N 448.421 5.227 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2Cl)cc1C 1875126281 YWUKDAFSWOCQBZ-NYYWCZLTSA-N 425.311 6.726 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)c1ccc(F)cc1F 1875132045 CGDZHJSDEQOFHM-BJMVGYQFSA-N 442.845 6.051 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3ccccc3C)c(Cl)c2)cc1 1875133444 VHXLKTGEGIXFKB-RVDMUPIBSA-N 448.946 6.618 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2)c1 1875156338 VHLBREJQXZOZGU-VGOFMYFVSA-N 430.500 5.943 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1 1875176104 WQVLWRMAKNDSHM-FOWTUZBSSA-N 430.500 5.583 30 10 IKEE C=CCN(CC=C)C(=O)c1cc2c(NCCCCCCCC)ncnc2n1CC(C)C 1875210409 LQCRGEIBAQIPJK-UHFFFAOYSA-N 425.621 5.674 30 10 IKEE CCCCCCCCNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2n1Cc1ccccc1 1875238359 UHXRHTURNGBXRO-UHFFFAOYSA-N 444.579 5.096 30 10 IKEE C=CCC[C@H](C)[C@H](NC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875653546 ZPWNAOWZSGHDKY-ZRKWFTTGSA-N 445.603 6.068 30 10 IKEE CC1(C)OB([C@@]23C[C@H]2CCN(Cc2cccc(Cl)c2Br)C3)OC1(C)C 1879796579 VRKSKEVDUNKZRI-AUUYWEPGSA-N 426.591 5.161 30 10 IKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccc(Cl)cc1I 1904060307 RNCOCKGLQANKQJ-ABAIWWIYSA-N 448.732 5.545 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H]1CN(C(=O)OC(C)(C)C)CCC12CCC2 1922084943 DQYVFRWQLDOUQO-GOTSBHOMSA-N 428.617 5.165 30 10 IKEE C=C(COCc1ccccc1)[C@@H](N)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 1922114579 ZPCPGBOIFOJVHA-HXUWFJFHSA-N 447.373 5.569 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)[C@@H](CNC(=O)OC(C)(C)C)CCC12CCC2 1924918290 ARUFTAKHUHKGBP-RHGYRFJNSA-N 435.609 5.389 30 10 IKEE CCCCCCCCCCC(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 1947438501 JNHZEGHRHOARJY-UHFFFAOYSA-N 432.649 6.113 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@]1(C#N)CN(Cc2ccccc2)C2(CCC2)C1 2037913897 GPUQKKRNGDCWNH-AREMUKBSSA-N 435.543 5.658 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C1CCC(F)(CNC(=O)OC(C)(C)C)CC1 2058299794 VUKTWLWAWDSZRN-SBRHDKPSSA-N 448.623 5.551 30 10 IKEE CCN[C@@H](C#C[Si](C)(C)C)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071269195 ZKGVVYIWIQKVSI-SANMLTNESA-N 443.663 6.376 30 10 IKEE CC1(C)CC[C@@]1(C#N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071349350 NRNRXLIMGMVILS-XTEPFMGCSA-N 427.544 6.208 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@@H](C#N)[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2073118910 ONYYCMFHTBSZNV-LPHOPBHVSA-N 447.551 5.495 30 10 IKEE C#CC[C@H](CNCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C1CC1 2076056222 LRAHIPFWOUZVFF-HHHXNRCGSA-N 425.572 5.984 30 10 IKEE CC(C)c1nn([C@H](c2ccc(C(F)(F)F)c(F)c2)C(C)C)c(Br)c1C#N 2079969649 HAPFPLPKYWTSRY-INIZCTEOSA-N 432.259 6.044 30 10 IKEE CC(C)c1ccc([C@@H](C2CC2)n2nc(C(F)F)c(C#N)c2I)cc1 2079998671 BKXAPHUGOFDBPK-INIZCTEOSA-N 441.263 5.420 30 10 IKEE FC(F)(F)c1ccccc1-c1c(C(F)(F)F)nn(C(F)(F)F)c1Br 2080718631 ZNLZITQEGODDGZ-UHFFFAOYSA-N 427.064 5.827 30 10 IKEE Fc1c(-c2c(C3CCCC3)nn(C(F)(F)F)c2Br)cccc1C(F)(F)F 2080912247 IUOQWWZQXUXWSI-UHFFFAOYSA-N 445.176 6.604 30 10 IKEE C[C@@]1(C(F)F)CSC(=Nc2c(Br)cc(Cl)cc2Br)N1 2105089861 YNFWMIZKDACQCW-NSHDSACASA-N 434.531 5.213 30 10 IKEE CC(C)[C@H](C)N(Cc1ccccc1)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1C(F)(F)F 2116145895 PEYNUCFNSNYKLJ-KRWDZBQOSA-N 448.338 5.451 30 10 IKEE N#Cc1cccc(CNCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)c1 2134727719 KNSCSXGBAHPCLG-UHFFFAOYSA-N 434.539 6.006 30 10 IKEE N#Cc1ccc(NC[C@]23CC[C@@H]2CCCN3Cc2ccccc2)c(F)c1Br 2145616991 MOZXBODUKUFREU-PGRDOPGGSA-N 428.349 5.317 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCCOC12CCCC2 2155126909 WHRFJDABHPLJQV-FQEVSTJZSA-N 435.362 5.576 30 10 IKEE CC(C)(C)OC(=O)N1CCc2cc(Nc3ccc(C#N)cc3Br)ccc2C1 2162329192 JGCNOWNKPOWEKQ-UHFFFAOYSA-N 428.330 5.358 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H](CCNc2ccc(C#N)c(Br)c2F)CC1 2162403088 PONXGVMUFQBPEE-CQSZACIVSA-N 440.357 5.299 30 10 IKEE CCC(C)(C)N(CCC#N)C(=O)c1ccc(Br)c(NC(=O)OC(C)(C)C)c1 2181053984 RJHGGUYJLBXYOD-UHFFFAOYSA-N 438.366 5.341 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](Cc2ccccc2Br)NCCC)C1 2183011094 KJYFBKUZGNQLAA-IBGZPJMESA-N 437.422 5.221 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1OCc1cc(Cl)cc(Br)c1 2197493176 ACCKFFLZZGSDAI-UHFFFAOYSA-N 437.570 5.289 30 10 IKEE Cc1ccc(NC(=O)c2ccc(Br)c(NC(=O)OC(C)(C)C)c2)cc1C#N 2199375208 VPCXCRNKVYLESI-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE CC(C)(C)OC(=O)NC1(CNc2ccc(C#N)c(Br)c2)CCC(F)(F)CC1 2201480529 PGLYHWLKMUOUBZ-UHFFFAOYSA-N 444.320 5.205 30 10 IKEE Cc1cnc(Oc2ccc(NC(=O)OC(C)(C)C)cc2C)c(B2OC(C)(C)C(C)(C)O2)c1 2232301148 ZVJDNEVTXITILT-UHFFFAOYSA-N 440.349 5.137 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1CCC(=O)C#Cc1ccccc1Br 2235728359 ZXBJLMSVBXZYRK-FXAWDEMLSA-N 434.374 5.233 30 10 IKEE CC[C@@H](C)N(Cc1ccccc1)C(=O)c1sc(C)c(C)c1B1OC(C)(C)C(C)(C)O1 2247935179 VNOXVGZWTTZTOF-MRXNPFEDSA-N 427.419 5.105 30 10 IKEE CC(C)[C@@H]1CC=C(C(=O)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)CC1 2248511536 YYTZQDPPDHDWBD-OAQYLSRUSA-N 427.585 5.392 30 10 IKEE C=CCCC1([C@H](O)c2ccc(Br)cc2Cl)CN(C(=O)OC(C)(C)C)C1 2254993086 BHMJXVWSAZKSKG-MRXNPFEDSA-N 430.770 5.339 30 10 IKEE C=CCC1(COc2ccc(Br)c(C)n2)CCN(C(=O)OC(C)(C)C)CC1 2272230521 ZCEBPWTWLNQUGX-UHFFFAOYSA-N 425.367 5.125 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NC)c1cc(Br)cc(C(C)(C)C)c1 2273001063 MBOQFTUYCKAOJC-QZTJIDSGSA-N 425.411 5.477 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)c1cccc(Cl)c1Br 2275806768 KIFPAIFTALJOTA-FQEVSTJZSA-N 439.733 5.408 30 10 IKEE COc1ccc(N=C2NC(=O)C(=Cc3ccc(OCc4ccccc4)c(OC)c3)S2)cc1 2296738474 ZFCGBTGMOXWFMB-UHFFFAOYSA-N 446.528 5.174 30 10 IKEE N#Cc1c(-c2ccc(Br)cc2)c(C=Cc2ccccc2)nn1-c1ccccc1 2297465808 VINKLNLSNHREPZ-UHFFFAOYSA-N 426.317 6.344 30 10 IKEE O=C1C(=CNc2ccc(Cl)cc2)[C@@H](Nc2ccc(Cl)cc2)Oc2ccc(Cl)cc21 2297534593 UWKPRUGQGOONHN-QFIPXVFZSA-N 445.733 6.656 30 10 IKEE C=C(C)COc1ccccc1[C@H]1CC(=O)Oc2ccc3c(c21)OC(=Cc1ccco1)C3=O 2297596036 JDWJFRUHQILALZ-LJQANCHMSA-N 428.440 5.292 30 10 IKEE Cc1noc(NS(=O)(=O)c2ccc(NC=CC(=O)c3cccc4ccccc34)cc2)c1C 2297709467 IICIUEBGWCRBAH-UHFFFAOYSA-N 447.516 5.054 30 10 IKEE Oc1ccc2ccccc2c1C=Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1 2297710204 FTHVVLFZBZALNH-UHFFFAOYSA-N 433.294 7.411 30 10 IKEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2304200985 VFJVCCVUOVXGCB-RHGYRFJNSA-N 435.609 5.484 30 10 IKEE CC(C)[C@H]1C[C@H](Nc2ccc(Br)cc2C#N)CN1C(=O)OCc1ccccc1 2321514237 IVYKVXAHOOSBDQ-PZJWPPBQSA-N 442.357 5.168 30 10 IKEE COc1cc(C=Nn2c(S)nnc2[C@@H](C)c2ccccc2)ccc1OCc1ccccc1 2321962115 NYDBGRIJZVFDIL-SFHVURJKSA-N 444.560 5.188 30 10 IKEE CCOc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN([C@@H]1CCCC[C@H]1C)C3 2322153091 FBBMPWPZZHSXIJ-DYESRHJHSA-N 433.548 5.741 30 10 IKEE CCN(CC)CCCCN1COc2c(cc3c(c2C)OC(=Cc2cccc(F)c2)C3=O)C1 2322388083 HMHJSMIXKCBKBJ-UHFFFAOYSA-N 438.543 5.024 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(Cl)cc2)c1OCc1ccc(Cl)cc1Cl 2322542292 UKVJGLYOCZICCF-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccccc2OCc2nc(O)c3ccccc3n2)cc1 2322549377 NFAXBAKGLXTTTF-UHFFFAOYSA-N 426.472 5.209 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(Cl)cc2C=CC(=O)c2ccc(C)cc2C)c(C)c1 2322572711 SEUQRQFFQZXVEM-UHFFFAOYSA-N 447.962 6.487 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C)cc2C)c1OCC(=O)N[C@H](C)c1ccccc1 2322575267 HJFLDURZJCTUAF-OAQYLSRUSA-N 443.543 5.464 30 10 IKEE Cc1ccc(C)c(COc2ccc(Cl)cc2C=CC(=O)c2ccc(C(C)(C)C)cc2)c1 2322687477 JERCJLBWQPWENW-UHFFFAOYSA-N 432.991 7.729 30 10 IKEE C=C(C)COc1c(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc(Cl)cc1OC 2322799190 ZIMHJMFQGFMIEO-UHFFFAOYSA-N 428.956 6.640 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O)c1cc2ccccc2o1 2322840660 GNNCZSFGAFYGNO-UHFFFAOYSA-N 427.368 5.176 30 10 IKEE O=C(Cc1ccccc1)Oc1ccc2c(c1)OC(=Cc1ccc(Br)cc1)C2=O 2322884459 XVWDXCCWZYGRAK-UHFFFAOYSA-N 435.273 5.213 30 10 IKEE Cc1cc(OC(=O)Cc2ccccc2)cc2c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O2 2322884760 NFBPRAYLIFXTCJ-UHFFFAOYSA-N 439.294 6.066 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccccc1OCC(=O)Nc1ccccc1C 2322922741 MTTQGVMDEFXGIM-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cc(Cl)ccc1OCC(=O)OCC(C)C 2322953388 MIZBRUMATLNCDJ-UHFFFAOYSA-N 442.983 6.420 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCc2nc(O)c3ccccc3n2)cc1Cl 2322974838 PVGWCBNRUYPGDT-UHFFFAOYSA-N 446.890 5.473 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1OCc1ccc(Cl)cc1Cl 2323212566 CPLLIMLBYJIYEH-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1OCC(=O)Nc1cc(C)cc(C)c1 2323218256 SBQCSVQLJHYDFP-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE Cc1ccc(C)c(COc2cccc(C=CC(=O)c3ccc(Oc4ccccc4)cc3)c2)c1 2323240451 XIZXLSJNTFZWNS-UHFFFAOYSA-N 434.535 7.571 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OCc1c(F)cccc1Cl 2323302081 LRFWLYJOVNYLHD-UHFFFAOYSA-N 438.926 6.888 30 10 IKEE Cc1c(OC(=O)c2ccc(C(F)(F)F)cc2)ccc2c1OC(=Cc1cccc(F)c1)C2=O 2323352609 SOFFBTIQWXUZJZ-UHFFFAOYSA-N 442.364 5.988 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)C=Cc1ccc(OC)cc1OC 2323496210 OPUQXJCXQJYNNI-QHCPKHFHSA-N 446.632 5.259 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccccc2Cl)cc1Cl)Nc1ccc(F)cc1 2323603373 UZYWZYCLURMETF-UHFFFAOYSA-N 444.289 6.046 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2cccs2)C3=O)cc1 2324484296 VKESSDJJSDWTDS-INIZCTEOSA-N 433.529 5.641 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2sccc2C)C3=O)c(C)c1 2324494973 HSDWPVQXHIIPGU-SFHVURJKSA-N 447.556 6.004 30 10 IKEE Cc1cc(C)c(COc2ccc3c(c2C)OC(=Cc2cn(C)c4ccccc24)C3=O)cc1C 2324765124 FHMWDRCHSRAIOI-UHFFFAOYSA-N 437.539 6.607 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccc4ccccc4c3)cc(C)c2C1=O 2324962920 CMXIEOYPMFMQKT-UHFFFAOYSA-N 449.506 6.090 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cccc(OC)c1OC 2325532427 NKSJFLQFFHZHHO-UHFFFAOYSA-N 444.988 5.466 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1c[nH]c2ccccc12 2325572065 KGKQLCXHSKLLHK-UHFFFAOYSA-N 427.936 5.679 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(C)nnc2SCc2cccc3ccccc23)cc1 2325631698 JRTSXKRDTGNEJF-UHFFFAOYSA-N 429.593 5.760 30 10 IKEE CC(C)Oc1cccc(C=CC(=O)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)c1 2325675184 MXALAWIMSNRBLN-UHFFFAOYSA-N 449.934 5.927 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCC(=O)Nc4cccc5ccccc45)ccc3C2=O)c1 2325707059 YOYZTZIKPGCVSS-UHFFFAOYSA-N 435.479 5.782 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C)cc4)cc(C)c3C2=O)cc1 2325716013 WFPVNSAZDAYNEA-UHFFFAOYSA-N 427.500 5.500 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)cc1 2325718534 VNDWRVKPSOTFIS-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE Cc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3cc(Cl)ccc3Cl)c2)cc1C 2325773612 VWIWSUIIESZWRP-UHFFFAOYSA-N 439.338 6.654 30 10 IKEE CCCCOc1cccc(C=Nn2c(CC)nnc2SCc2cccc3ccccc23)c1 2326637634 HAZZZXXBFPHJJS-UHFFFAOYSA-N 444.604 6.347 30 10 IKEE CCCSc1nnc(Cc2ccc(OC)c(OC)c2)n1N=Cc1c(F)cccc1Cl 2326771913 AJNKPOTZXCZDPF-UHFFFAOYSA-N 448.951 5.063 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccccc3Cl)n2N=Cc2ccco2)cc1 2327617229 ZZEHMWVSPCACRR-UHFFFAOYSA-N 438.940 5.586 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3C)n2N=Cc2cccnc2)cc1C 2328774318 GTEBFVWCMHUKMG-UHFFFAOYSA-N 443.576 5.352 30 10 IKEE Cc1ccc(C=Nn2c(CCOc3ccccc3)nnc2SCc2ccc(C)cc2)cc1 2329156872 JIYSVVQVTKRLAJ-UHFFFAOYSA-N 442.588 5.691 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2C)n1N=Cc1cccs1 2329473206 BLYGPHRQSQQUAK-UHFFFAOYSA-N 432.618 5.916 30 10 IKEE Clc1ccccc1C=Nn1c(SCc2ccccc2)nnc1-c1ccccc1Cl 2329573694 DYZRMOPRRBCQTG-UHFFFAOYSA-N 439.371 6.426 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(F)cc2)n1N=Cc1ccc(Br)cc1 2329833882 SMSAGZRJAIWCME-UHFFFAOYSA-N 445.361 5.321 30 10 IKEE CCc1ccc(C=Nn2c(Cc3ccc(C)cc3)nnc2SCc2ccccc2F)cc1 2329992566 FFRBACYWWVTCNP-UHFFFAOYSA-N 444.579 6.053 30 10 IKEE Fc1ccc(C=NNC(=S)NC2CCCCCCCCCCC2)cc1Br 2330441264 SRFDCTUTABOZPJ-UHFFFAOYSA-N 442.442 6.060 30 10 IKEE Cc1ccccc1CSc1nnc(-c2cccs2)n1N=Cc1cc(Cl)ccc1O 2330537528 XHPOWOLPQFQJMU-UHFFFAOYSA-N 440.981 5.849 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2-c2cccs2)cc1 2330551987 UFCWKYLNXZVBSY-UHFFFAOYSA-N 448.617 6.278 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)COCc3ccccc3)cc2)cc1 2330825755 ATJRJQWUTFDJQQ-UHFFFAOYSA-N 428.528 6.048 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2ccccc2)c(C)c1 2331100874 UKRDIYPDZXVBDH-UHFFFAOYSA-N 433.581 5.166 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3cccc(Cl)c3)cc2)cc1 2331116312 MRJJINBQZMOCFT-UHFFFAOYSA-N 434.919 6.173 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)Cc1ccccc1OC 2331326198 KNYXNCNWPGHECG-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE CCOc1c(C=Nn2c(CC(C)C)nnc2SCc2ccc(C)cc2)cccc1OC 2331429209 DSVVOENVBPVILI-UHFFFAOYSA-N 438.597 5.367 30 10 IKEE CC(C)Cc1nnc(SCc2ccccc2)n1N=Cc1ccc(Br)cc1 2331453356 JLOIWHJGSXUFMG-UHFFFAOYSA-N 429.387 5.414 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)cc(OC)c1OC(=O)C(C)(C)C 2331630563 JGWSFFMNMIYRGV-UHFFFAOYSA-N 436.548 5.897 30 10 IKEE CC(C)c1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(Br)cc1 2331701538 NWTSUKLRBHVYAB-UHFFFAOYSA-N 449.805 5.992 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3C)c(Cl)c2)cc1C 2331706242 QNPDXGPDKYVLQB-UHFFFAOYSA-N 432.947 6.700 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OC(=O)CC(C)(C)C)c(Cl)c1 2331743575 XNMBKNFVFBKIIM-UHFFFAOYSA-N 435.347 6.548 30 10 IKEE CC1=C[C@H](C(C(=O)C=Cc2ccc(O)cc2)C(=O)C=Cc2ccc(O)cc2)[C@@H](C(C)C)CC1 2333248779 XPEWDUSWUQJRDO-SSDKUHEVSA-N 444.571 6.207 30 10 IKEE CCCCCCC[C@H](NCCC)c1ccc(OCc2ccccc2)cc1Br 2361210193 RBEPKDQIFPEVFV-DEOSSOPVSA-N 432.446 7.429 30 10 IKEE CC(C)(C)OC(=O)N[C@]1(C)C[C@H]2CC[C@H]1C[C@]2(C#N)Nc1ccc(Br)cc1 2381196026 HLXQNDNBQLFUHG-REABXYAWSA-N 434.378 5.227 30 10 IKEE CCOc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2ccc(C)cc2)cc1 2450381 QRGQDCKEVNFQMA-UHFFFAOYSA-N 426.545 5.805 30 10 IKEE N#CC1(C#N)[C@H](c2ccc(F)cc2)[C@H](C(=O)c2cccs2)N2c3ccccc3C=C[C@H]21 15229231 DNJULKZQAGXJOT-YTFSRNRJSA-N 425.488 5.171 30 10 IKEE COc1ccccc1[C@H]1C2=C(C[C@H](c3ccc(F)cc3)CC2=O)Nc2nc3ccccc3n21 19629606 CHCXLECKFGUQCQ-QLXKLKPCSA-N 439.490 5.600 30 10 IKEE CCc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C(C)C)cc2)cc1 21242636 QJBSWRGYNRGVEC-QABMSTFYSA-N 436.599 7.352 30 10 IKEE O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(NC(=O)c2ccccc2)c1 28355939 QHBZIYVKZDUTIA-FYWRMAATSA-N 438.439 6.003 30 10 IKEE O=C1/C(=C/c2cccc(Br)c2)CS/C1=C/c1cccc(Br)c1 33247654 SRRKCHWZJUBXCB-INXVSMFASA-N 436.168 5.952 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccccc4Br)ccc3C2=O)cc1 33812397 FYUVZMJTBWHIOK-MTJSOVHGSA-N 435.273 5.593 30 10 IKEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@H]3c3ccc(Cl)cc3)ccc2O1 35023705 KWEUESAFPMBFIC-FPTDNZKUSA-N 449.890 5.035 30 10 IKEE C=CCc1ccccc1OCCn1c([C@H](C)Oc2ccc(Cl)cc2)nc2ccccc21 40236676 JHUJFBZPZFCROP-IBGZPJMESA-N 432.951 6.637 30 10 IKEE N#Cc1c(NC(=O)c2cc(Br)c(Br)s2)sc2c1CCCC2 40948005 ATCPCNONUNEFEH-UHFFFAOYSA-N 446.189 5.337 30 10 IKEE O=C(/N=C(/NCc1ccccn1)Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 46126861 PCRXZFGPPNKQGV-UHFFFAOYSA-N 432.833 5.152 30 10 IKEE Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NS(=O)(=O)Cc1ccccc1 59239781 KADJGDPGEGZNPR-FQEVSTJZSA-N 445.371 5.899 30 10 IKEE C/C=C\Oc1ccc(C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2nc3ccccc3o2)cc1 98037260 VYHJWELMMIXHGU-DGMUFAOJSA-N 426.428 6.072 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)CNc1cccc(NC(C)=O)c1 100096795 LRZQPKLQGDMGEH-UHFFFAOYSA-N 431.665 6.654 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(NN2CCN(C)CC2)c1N 101531417 CKMGMUIBSCGWJK-UHFFFAOYSA-N 447.716 5.526 30 10 IKEE CCCCCCCCCCCn1c(CCCCCNC(=O)CCC)nc2ccccc21 102163320 RYHDBCXYMAPUOT-UHFFFAOYSA-N 427.677 7.196 30 10 IKEE CCCCCCCCn1c(CNC(=O)c2ccc(Br)cc2)nc2ccccc21 102220897 MDCHFPJYPUIIPJ-UHFFFAOYSA-N 442.401 6.089 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)/C(=C(\O)c4ccccc4)[C@@H]3c3ccc(C)o3)sc2c1 102737506 VMMJRYHVAXCGIV-AGGMBTAESA-N 444.512 5.386 30 10 IKEE C=C(C)[C@H]1CC[C@@]2(C(=O)O)CC[C@H]3[C@@H](CC[C@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]34C)[C@H]12 142139780 KGUHFCVSCDQVEU-SKKLNWNDSA-N 442.684 6.699 30 10 IKEE Cc1sc(N/N=C\c2ccc(OCCCc3ccccc3)cc2)nc1-c1cccs1 169942169 FWQZPIQPWJVSBI-UQQQWYQISA-N 433.602 6.638 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccccc2OC)c1 169943248 PMSJHJODOFLNJN-XMMPIXPASA-N 443.499 5.104 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2cc(C)ccc2C)=C(O)C(=O)N1c1ccc(C)cc1 169944638 SGZOIQDZRODZEA-XMMPIXPASA-N 427.500 5.403 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc3c(c2)OCO3)c1 169968021 KUQGWPGJWNYLBM-JOCHJYFZSA-N 447.874 5.160 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccccc2)cc1 170052834 MUOYEYQEENGSOR-VWLOTQADSA-N 427.500 5.187 30 10 IKEE CCCCCCCCN1C(=O)C(SCc2ccco2)=C(c2ccc(C)cc2C)C1=O 170095043 RXQSZBIATHFMHS-UHFFFAOYSA-N 425.594 6.270 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2nc3ccccc3[nH]2)o1 170103251 XQTIUWOLBZUQHX-HSZRJFAPSA-N 449.466 5.400 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2C2CCCC2)cc1 170117071 JVQRYNOUYAHKPB-QHCPKHFHSA-N 435.520 5.003 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2cccc(C)c2)cc1 170142133 NCRFXBNHTGSRKF-RUZDIDTESA-N 441.527 5.874 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2C2CCCCC2)c1 170145485 MSAPJQRAMDBRBQ-VWLOTQADSA-N 447.575 6.002 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1cccc(OC(C)C)c1 170153386 QSSUAEDTVIFCQD-QHCPKHFHSA-N 437.536 5.249 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccccn2)cc1C 170171940 MOMIBRBRIWCDQP-DEOSSOPVSA-N 442.515 5.269 30 10 IKEE Cc1ccc(-c2csc(C3=C(N)N(c4cccc(Cl)c4Cl)CC3=O)n2)cc1C 170180396 BQWFFLCBMBNQGP-UHFFFAOYSA-N 430.360 5.450 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccccc2)cc1 170225218 QRXHKTQXBONORK-RUZDIDTESA-N 441.527 5.875 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccccc1 170228778 IUIAIGIGWNADEZ-OAQYLSRUSA-N 448.316 5.540 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1ccccc1 170228975 MBASPRLWEMKXBL-QFIPXVFZSA-N 447.918 5.748 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccccc2C)c1 170271492 KMAROUHYOILAJO-SANMLTNESA-N 433.507 6.240 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1c1ccccc1O 170314589 LWPBSOXWPDRMCM-JOCHJYFZSA-N 441.508 5.698 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2sccc2C)cc1Cl 170314877 FAHNEVDKTFKNQE-IBGZPJMESA-N 439.920 5.501 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2sccc2C)cc1 170316623 PCXIBVHTXURKGE-NRFANRHFSA-N 448.544 5.019 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 170346229 QASMUCLVUUJHEU-XMMPIXPASA-N 436.511 5.639 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2cc(Cl)ccc2C)ccc1O 170464402 WGYPKZXHFMTTNO-JOCHJYFZSA-N 443.927 5.268 30 10 IKEE CC1(C)OB([C@H]2C=CC=C[C@@]2(/C=C/c2ccccc2)B2OC(C)(C)C(C)(C)O2)OC1(C)C 220012147 JIVNRTMPQKZINX-DPLAEZDZSA-N 434.194 6.121 30 10 IKEE COc1ccc(/C=C2\SC(=Nc3cccc(C)c3)N(c3cccc(C)c3)C2=O)cc1OC 252619647 LRUUZPFPIVDIFJ-GCNWNYGFSA-N 444.556 6.129 30 10 IKEE Cc1cccc(C)c1NC(=S)NN=C1C[C@H]([C@H](C)c2cccnc2)Oc2ccc(O)cc21 254439045 KHZHNLYHGABBRR-UZUQRXQVSA-N 446.576 5.050 30 10 IKEE Cc1ccc(S(=O)(=O)O[C@H]2C[C@]3(C)CCC[C@@H]3[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]23)cc1 254475830 VBLKGSKRRMCRKY-HAPMJAMNSA-N 444.637 5.681 30 10 IKEE C=C([C@@H](NCCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1)C(F)(F)F 406587147 BKYCSPNPYCZRRT-OAHLLOKOSA-N 437.300 5.955 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccc(Cl)c2)cc1 526514460 FXGCVZMGPGJINY-HSZRJFAPSA-N 430.891 5.668 30 10 IKEE Cc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(Br)cc2)cc1 526519505 AFVBGGSFVXGDFO-JOCHJYFZSA-N 445.316 5.686 30 10 IKEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1ccc(OCC(C)C)cc1 526813771 DJRFEZIVMIIXFT-MYKKPKGFSA-N 449.407 6.103 30 10 IKEE CCCCOc1ccc(/C=N\n2c(C)nnc2SCc2cccc(F)c2)cc1OCC 526825111 JVGJYWAMXLHRMS-MYYYXRDXSA-N 442.560 5.478 30 10 IKEE Cc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2ccc(F)c(Cl)c2)cc1C 586213181 VEORQGYVJFNOFF-UHFFFAOYSA-N 428.916 5.363 30 10 IKEE C=CCN(CC=C)C(=O)c1cccc(NC(=O)Nc2ccccc2Oc2ccccc2)c1 586716487 YUZJJUSAGXLVGX-UHFFFAOYSA-N 427.504 5.937 30 10 IKEE CSc1cccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)c1 686952145 DSQGSASWNSGCFY-SFHVURJKSA-N 433.371 6.177 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)c(F)c1F 689647079 MKCYCEHEUXANPT-MAUKXSAKSA-N 447.364 5.628 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)CC(C)(C)NC(=O)OC(C)(C)C 698486753 QSKYJWGIACKPTE-MRXNPFEDSA-N 433.549 5.022 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@H](C#N)c1c(F)cccc1Br 698981754 SGAIFAQJZAYBIG-MRXNPFEDSA-N 439.712 6.248 30 10 IKEE CC[C@@](C#N)(C1CN(C(=O)OC(C)(C)C)C1)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 716134962 MJEFESHSQUEAMA-HSZRJFAPSA-N 449.979 5.621 30 10 IKEE CCCc1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2ccc(C)c(C)c2)cc1 726571025 AIFXVESTHMMCRP-UHFFFAOYSA-O 446.596 5.050 30 10 IKEE O=C1/C(=C/c2ccc(N3CCCC3)o2)S/C(=N/C2CCCCC2)N1C1CCCCC1 1083960282 CKWUEBOPSPRAHB-BRWFSHSLSA-N 427.614 5.818 30 10 IKEE C(=NC1=N[C@@H](c2ccco2)[C@@H](c2ccco2)S1)c1ccccc1OCc1ccccc1 1084565318 GQZQAMIOMRPPDC-BJKOFHAPSA-N 428.513 6.456 30 10 IKEE CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]3C[C@H]([C@H](C)[N+](=O)[O-])[C@H]2/C(C)=N/O)C1 1565535009 VOETZVYTDQTIBX-HXEKUUSWSA-N 446.588 5.239 30 10 IKEE O=C1/C(=C/c2ccc(O)c(O)c2)SC(=Nc2ccncc2Cl)N1C1CCCCC1 1772734365 CRXCEPCRZPLFNR-IBERAMNCSA-N 429.929 5.083 30 10 IKEE COc1ccc(OC)c(/C=C2\SC(=Nc3nc(C)cs3)N(C3CCCCC3)C2=O)c1 1772740213 WRZMYKGDDZGKHE-PNVGRYOSSA-N 443.594 5.405 30 10 IKEE CCCn1c2ccccc2c2nnc(NN=Cc3ccccc3OCc3ccccc3)nc21 1772764798 DPEPAGPRHCHCQS-UHFFFAOYSA-N 436.519 5.415 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCSC)NC(=O)c1ccc(Cl)c(Cl)c1 1861054188 BJVFRDJWYKBSOB-SFHVURJKSA-N 433.445 5.322 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)c1ccccc1OCC(C)C 1861359231 OQVYXCMJBZEKBB-AREMUKBSSA-N 432.649 5.877 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)[C@@H](C)Oc1ccc(C(C)C)cc1 1861682611 JQZLOUNKAILHQH-AJTFRIOCSA-N 446.676 6.119 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2)cc1 1862387003 APUOPOGYZDOEOA-XMMPIXPASA-N 426.516 5.203 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@H]1c1ccc(C)cc1 1862389492 HAJQBRLJUAHRQL-RUZDIDTESA-N 433.592 6.496 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(Cl)c(Cl)c1 1862415789 GHTYIYLQAVHWPG-SFHVURJKSA-N 440.273 5.506 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(C(=O)O)cc1 1862433422 BHPHOYQLRVXZCW-FQEVSTJZSA-N 441.911 5.197 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@H]1c1cccc(F)c1)c1cccc(Cl)c1 1862445314 SJLHXGAVJYTAST-FQEVSTJZSA-N 441.911 5.362 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1cccc(Cl)c1)c1cccc(Cl)c1 1862446599 WJLNQTTZJJVRMI-OAQYLSRUSA-N 438.310 5.772 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 1862538527 JAWGMWACDRBPEP-HXUWFJFHSA-N 448.346 5.171 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@H]1c1ccccc1)c1ccc2c(c1)CCCC2 1862543319 DIAPXOYFZJYTOK-VWLOTQADSA-N 441.502 5.483 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccccc1C 1862544965 OXUVCXYPJJNGND-VWLOTQADSA-N 431.576 6.032 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2[C@@H](C)CC)c1 1862550102 CTVQSUYRDPCDHZ-BVZFJXPGSA-N 447.575 5.731 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cc(Cl)cc(Cl)c1 1862553931 QRVCPHFTJXOHRW-OAQYLSRUSA-N 444.358 5.859 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1cccc2ccccc12 1862575185 YQNJNNJJXOBXAI-FYSMJZIKSA-N 445.515 5.234 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2cccc(Cl)c2)c1 1862589341 JKWIOMVJZAPUJZ-QFIPXVFZSA-N 433.891 5.133 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCC(C)C)cc1 1862618421 UGMDGZXYWZVPSA-HSZRJFAPSA-N 435.564 5.617 30 10 IKEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862620371 QRCPQANOJINGIU-HXOBKFHXSA-N 449.591 5.241 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(N(C)C)cc1 1862679369 ZDCLKDHWQMHIMG-HNKPZJSLSA-N 436.527 5.049 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(F)cc1 1862688208 TVEZUTQHZWHMMT-OFNKIYASSA-N 439.527 5.772 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc(F)cc2F)c1 1862701996 REEFINBEJGPTIC-UPNLOYSTSA-N 441.474 5.130 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(Cl)cc1Cl 1862721718 QXZYRTQFGRFBBX-OAQYLSRUSA-N 440.326 6.135 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccc2ccccc12 1862727580 ICWIJXXSQATXAP-HHHXNRCGSA-N 445.518 6.271 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCC)=C(c2ccc(Br)cc2)C1=O 1863557652 WPFMPSMUCCOBST-UHFFFAOYSA-N 449.433 5.669 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccc(F)cc2)=C(c2ccc(C)c(C)c2)C1=O 1863607781 MTVNSPXCHZLNRB-UHFFFAOYSA-N 436.571 5.673 30 10 IKEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CC)[C@@H]1c1ccc(Cl)cc1 1864101648 QIBIXQHMIUPNHW-FQEVSTJZSA-N 445.007 5.036 30 10 IKEE C=CCN(CC=C)c1cc(N2CCN(c3ccccc3F)CC2)nc(-c2ccccc2C)n1 1867961031 PYYLYOOEZOMGEF-UHFFFAOYSA-N 443.570 5.096 30 10 IKEE CC(C)c1nc(Nc2cccc(C#N)c2)cc(N2CCC(Oc3ccc(Cl)cc3)CC2)n1 1868220886 AWJGAXBXFFEPHW-UHFFFAOYSA-N 447.970 5.916 30 10 IKEE Cc1ccc(-c2nc(Nc3cccc(C#N)c3)cc(N3CCO[C@H](c4ccncc4)C3)n2)cc1 1868313064 VMCXXIBAGURSQB-DEOSSOPVSA-N 448.530 5.040 30 10 IKEE CN1CCN(c2cc(Nc3ccc(C#N)cc3)nc(-c3ccccc3)n2)C[C@H]1c1ccccc1 1868375998 FORLJWLQCHNPFM-VWLOTQADSA-N 446.558 5.252 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)Nc2cccc(OC)c2)c(=O)cc1C 1870084233 WIAATRIWSCXFIV-UHFFFAOYSA-N 428.573 5.324 30 10 IKEE CC(C)c1cc(C(C)C)cc(-n2nnc(C#N)c2NC(=O)c2ccc(F)c(F)c2F)c1 1870148833 CJBFQKHVXVRTSF-UHFFFAOYSA-N 427.430 5.055 30 10 IKEE CCCCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CSc1nccn1C 1870235003 BNERONGTYWNVHT-UHFFFAOYSA-N 447.689 6.440 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2)c(CN(C)Cc2ccccc2)cc1=O 1870410670 APSMLIBMAMKZSD-UHFFFAOYSA-N 432.608 5.878 30 10 IKEE C=CCn1cc(OCCOc2ccc(C(C)(C)C)cc2)c(=O)cc1CN1CCC[C@@H](C)C1 1870591537 CATFIZVYDPCXEN-OAQYLSRUSA-N 438.612 5.022 30 10 IKEE CCCCCCCOc1cn(CCCC)c(CNc2ccc(C(C)(C)C)cc2)cc1=O 1870831700 HHHWLPRTVSQHRV-UHFFFAOYSA-N 426.645 6.907 30 10 IKEE C=CCn1cc(OCCCOc2ccc(C)cc2)c(=O)cc1CNc1cccc(Cl)c1 1871215997 CWDYQXBXXGCVQG-UHFFFAOYSA-N 438.955 5.456 30 10 IKEE Cc1cccc(CN2COc3cc(C)c4c(c3C2)O/C(=C\c2c(F)cccc2Cl)C4=O)c1 1871348156 VFAYXMHNBMQCQJ-KSEXSDGBSA-N 449.909 6.064 30 10 IKEE CCc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCC2=CCCCC2)C4)cc1 1871349755 SGRHUZCEXGPGQT-XYGWBWBKSA-N 429.560 6.216 30 10 IKEE CCN(CC)CCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(Cl)cc1Cl)C3=O 1871351094 KEDYVHWFFXOFPR-NHDPSOOVSA-N 447.362 5.103 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O 1871376408 JMEDFZHBQDEUBG-QFEZKATASA-N 440.882 6.258 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2OCC)C3=O)c1 1871387411 UBESHLWZVFACHZ-IWIPYMOSSA-N 430.456 5.319 30 10 IKEE Cc1cc(O)c(CN2C[C@@H](C)C[C@H](C)C2)c2c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O2 1871396631 PHBJWYFOSQQUBW-FYHPJVROSA-N 433.592 6.092 30 10 IKEE CCCCOC(=O)COc1ccc2c(c1C)O/C(=C\c1cccc(Br)c1)C2=O 1871400030 BZPSFDAXLGACQH-UNOMPAQXSA-N 445.309 5.096 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCCCCOc4ccc(C)cc4)cc(C)c3C2=O)cc1 1871404727 PJAGIQKKUNHUFC-ONUIUJJFSA-N 428.528 6.466 30 10 IKEE COc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1cccs1)C2=O 1871412512 UDZTZZQCFGTBTL-PJMHOZITSA-N 435.501 5.087 30 10 IKEE CCCCCCCCCOc1ccc2c(c1C)O/C(=C\c1ccc(OC)c(OC)c1)C2=O 1871429681 ONXBBUHSNBNTFN-BWAHOGKJSA-N 438.564 6.758 30 10 IKEE Cc1ccc(NC(=O)CCOc2ccc3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)cc1 1871430475 BRNHMEXERSEHCJ-XYGWBWBKSA-N 442.515 5.085 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C(C)C)cc4)ccc3C2=O)cc1 1871435399 JKDXHSQWWDURGC-YSMPRRRNSA-N 441.527 6.006 30 10 IKEE CC(C)OC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)o1 1871439015 DDOBZKYUNBAXNR-JJFYIABZSA-N 438.863 5.693 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(C)c(C)c2)[nH]c(N(CCC)CCC)n1 1871526159 HMDABDMOYDCWPA-UHFFFAOYSA-N 426.653 6.053 30 10 IKEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 1871795090 UKKZJSXDJFQEFP-JOCHJYFZSA-N 449.016 5.187 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1ccccc1 1872220981 WWMJAQJXXAHGRV-QHCPKHFHSA-N 442.625 5.358 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(C)cc1C)[C@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872548437 KNADSHLOUUFLGS-KOSHJBKYSA-N 442.625 5.150 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3c(Cl)ccc(Cl)c3OC)n2)cc1C 1872765655 UJWUHMOYXYEJIJ-CYBMUJFWSA-N 447.343 5.933 30 10 IKEE N#C[C@@H](C(=O)/C=C/c1ccc(Cl)c(Cl)c1)c1nc(-c2cccc(Cl)c2)cs1 1872767126 STTXYPOYVJIBRJ-ZKKXHLJNSA-N 433.747 6.660 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@@H](C#N)C(=O)Cc2c[nH]c3ccccc23)n1 1872784030 NUTLCOBSUUVWFJ-KRWDZBQOSA-N 435.936 5.681 30 10 IKEE CCCCCCCCCCNC1=C(c2cc(F)cc(F)c2)C(=O)N(Cc2ccco2)C1=O 1873111298 VOCVWBUJIBLLHC-UHFFFAOYSA-N 444.522 5.568 30 10 IKEE C=CCN1C(=O)C(NC2CCCCCCCCCCC2)=C(c2c(C)cc(C)cc2C)C1=O 1873121430 CBTNSWLGWVIYBI-UHFFFAOYSA-N 436.640 6.141 30 10 IKEE CCCCCCCCCCNC(=O)c1cc2c(N3CCC(C)CC3)ncnc2n1CCC 1873574774 CZNDRHXAHRFEBI-UHFFFAOYSA-N 441.664 5.948 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(-c3ccccc3C)cc2)cc2c(NCCCC)ncnc21 1873604061 HNBOFUMRWHSIBK-UHFFFAOYSA-N 439.563 6.057 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(OC)c(Cl)c2)cc2c(NCCCCC)ncnc21 1873623086 SSKCBXKIGJOCJT-UHFFFAOYSA-N 427.936 5.134 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(C(C)(C)C)cc1)n2CCCC 1873656832 OCHJUXHCJWHYHN-UHFFFAOYSA-N 445.611 5.960 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C(C)(C)C)cc2)cc2c(N(CCC)CCC)ncnc21 1873665874 MYBDNMIGDOOGHV-UHFFFAOYSA-N 433.600 5.794 30 10 IKEE CCCCCCCCNC(=O)c1cnn(-c2ccc(Br)cc2)c1-n1cccc1 1873886489 XGNRNNNAGSSELE-UHFFFAOYSA-N 443.389 5.516 30 10 IKEE CCCCC1CCC(c2nnc(SCCO)n2/N=C/c2cc(Cl)ccc2O)CC1 1874287057 LVIUWIPCSZPTKQ-OEAKJJBVSA-N 437.009 5.068 30 10 IKEE CCCSc1nnc(CCc2ccc(OC)cc2)n1/N=C/c1c(F)cccc1Cl 1874307813 QMPVDENRCXTJAQ-ZVHZXABRSA-N 432.952 5.249 30 10 IKEE CCSc1nnc(-c2ccccc2Cl)n1/N=C/c1cc(Br)ccc1F 1874366668 NVQXNLHQSQAJON-UFFVCSGVSA-N 439.741 5.494 30 10 IKEE CCSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1cc(Br)ccc1F 1874389001 LIISWLISVNDCBF-WSDLNYQXSA-N 433.350 5.073 30 10 IKEE Cc1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2cccc3ccccc23)cc1 1874420163 DFPFQHJRNNJEMG-WGOQTCKBSA-N 440.597 6.643 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2-c2ccccc2)cc1 1874428532 NNWSOORGPRZGMM-JVWAILMASA-N 447.007 6.896 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2c(F)cccc2Cl)c1 1874446217 VWDMQNOOHRBVTQ-GRMYTIJRSA-N 444.963 5.713 30 10 IKEE Oc1ccc(Cl)cc1/C=N/n1c(SCc2ccccc2Cl)nnc1C1CCCC1 1874455935 RBARQURAGKOIIM-WYMPLXKRSA-N 447.391 6.123 30 10 IKEE COCCc1nnc(SCc2cccc(C)c2)n1/N=C/c1c(Cl)cccc1Cl 1874472193 QSLZSKIHXGTAHB-FSJBWODESA-N 435.380 5.257 30 10 IKEE COc1ccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C2CC2)cc1 1874521192 GUDZOHKROYJESM-FOKLQQMPSA-N 433.364 5.645 30 10 IKEE CC(C)(C)c1nnc(S)n1/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 1874559413 QDSLYCRTQMANEK-VULFUBBASA-N 434.540 5.618 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C(C)C)cc2)c1OCC(=O)Nc1ccc(C)cc1 1874584046 TWQQMKAKZIJHGI-SAPNQHFASA-N 443.543 6.041 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2cccc(OCc3cccc(C)c3)c2)cc1 1874597776 DHHMQOFKVZQBDH-XMHGGMMESA-N 442.599 7.819 30 10 IKEE CCCOC(=O)COc1cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)ccc1OC 1874598437 MCPOWOGGYOCSHC-OQLLNIDSSA-N 446.499 5.716 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc(OC)c1OCc1ccccc1 1874606849 JNRUJUSDTPWHQK-WYMLVPIESA-N 428.528 6.216 30 10 IKEE Cc1ccc(COc2ccc(/C=C/C(=O)c3cc(Cl)ccc3Cl)cc2[N+](=O)[O-])cc1 1874638104 IWWCHXXOIKDEFP-UXBLZVDNSA-N 442.298 6.685 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OC(=O)c1ccc(F)c(F)c1F 1874704085 WGUXHPOCNHQXBI-YCRREMRBSA-N 444.380 5.675 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3cc(C)cc(C)c3)c([N+](=O)[O-])c2)c1 1875102514 UXWOROAJYPTDPT-VQHVLOKHSA-N 431.444 5.336 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 1875114224 PCYIWTRMLWJVIR-SWGQDTFXSA-N 437.835 5.372 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)c1ccncc1 1875122007 DPMZPYFXHXDPEN-VMPITWQZSA-N 435.426 5.212 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)Cc1ccc(F)c(C)c1 1875133715 ILHZYKQDKDYXJX-XYOKQWHBSA-N 446.518 6.194 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)c1cc(C)cc(C)c1 1875139834 CIHPHYMPCVBWJA-PKNBQFBNSA-N 428.528 6.434 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 1875159613 UOGIQBOTIHDNDL-KRXBUXKQSA-N 434.507 5.852 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OC 1875161682 BWLAQZGHZAHSBL-DHZHZOJOSA-N 436.882 6.399 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(C)=O)c(Br)c2)cc1C(C)C 1875162619 ILTRHUXUORZMKG-SOFGYWHQSA-N 431.326 5.711 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)C(F)(F)F)c(Br)c2)cc1C 1875175591 XKWLSMQQBRNMHH-QPJJXVBHSA-N 427.216 5.430 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(Cl)cc3)cc2)cc1C 1875186609 DVISINWQUMWNMH-MDWZMJQESA-N 434.919 6.010 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccccn2)c(Cl)c1 1875192886 IPQRFLNCHFKHBA-VMPITWQZSA-N 428.271 5.512 30 10 IKEE C#CC[C@H](C[C@H](NC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C1CC1 1887464978 QNWLTRIQQUDAMX-IAPPQJPRSA-N 439.599 6.545 30 10 IKEE C#C[C@H]1CC12CCN(C(=O)c1cc(-c3ccccc3)nc3ccc(Br)cc13)CC2 1891841088 IDQDRSMEXOCSNS-SFHVURJKSA-N 445.360 5.540 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@](C#N)(C1CCC1)C(F)(F)F 1892899286 BMILMLUGVAYDMX-KRWDZBQOSA-N 433.268 5.815 30 10 IKEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN(Cc1ccccc1)[C@H](C)c1cccs1 1915408964 ZMZODWVXIQSBPC-OAQYLSRUSA-N 447.453 6.119 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1CCN(C(=O)OC(C)(C)C)CC1(F)F 1922097439 ASPYENFOJDOHCM-NHCUHLMSSA-N 438.559 5.020 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1scc(Br)c1C 1923017883 FGENCQMZBOMUHO-CVEARBPZSA-N 431.440 5.719 30 10 IKEE CC(C)(C)OC(=O)NCC[C@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C1 2038869406 MTMODPXMHNCBCO-KBMIEXCESA-N 449.636 5.924 30 10 IKEE COc1cc(C=CC(=O)c2ccc(O)cc2)ccc1OCc1cccc(C(F)(F)F)c1 2053622451 YWQZRLNMGZBQLP-UHFFFAOYSA-N 428.406 5.895 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Cl)cc1Br 2077735062 HLBQNMNKOCVEJH-DLBZAZTESA-N 429.786 5.060 30 10 IKEE CCc1nn([C@H](c2ccc(C(F)(F)F)cc2F)C(C)(C)C)c(Br)c1C#N 2079881548 VTEKGQDXOKBSMI-OAHLLOKOSA-N 432.259 5.873 30 10 IKEE Cc1cc(O)c([C@@H](n2nc(C(C)C)c(C#N)c2I)C2(C)CC2)cc1C 2079946133 QWEUXPBQDHDWCF-GOSISDBHSA-N 449.336 5.195 30 10 IKEE ON=Cc1c(C2CC2)nn([C@H](c2ccc(C(F)(F)F)c(F)c2)C2CC2)c1Br 2079997635 GCJWNMVOJQXFBZ-INIZCTEOSA-N 446.242 5.488 30 10 IKEE CC(C)Oc1ccc([C@@H](C2CCC2)n2nc(C3CC3)c(C=NO)c2Br)cc1 2080126124 LOPXLEBFLQJRJG-HXUWFJFHSA-N 432.362 5.508 30 10 IKEE CC(C)=CC(=O)NC1=CC[C@]2(C)[C@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@@H]3CC[C@H]2[C@@H](C)N(C)C)C1=O 2085148175 FPBGDMGTAHIUMI-NVVAMTDBSA-N 440.672 5.351 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)c(C)n1 2100784849 SDXNOQJLDMZHHN-SJLPKXTDSA-N 426.399 5.053 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1cccc2c1CCC2 2156047985 XCTPVNPSCDKFLP-FQEVSTJZSA-N 427.342 5.944 30 10 IKEE C#CCCN(CC(C)(C)C)C(=O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2180046376 WFFINXZNQUEDTF-UHFFFAOYSA-N 437.378 5.308 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Cl)cc(Cl)c1Cl 2235580937 IGXYFLIOTNKFIV-AEFFLSMTSA-N 435.823 6.547 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)CCCCCNC(=O)OC(C)(C)C 2235733830 VDRSBUYCFKBMRR-LJQANCHMSA-N 437.422 5.254 30 10 IKEE CC(C)(C)CN(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2247922317 GDWAANTXUUIYKP-UHFFFAOYSA-N 447.837 5.389 30 10 IKEE CC(C)(C)OC(=O)NC[C@]1(C)CCC[C@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 2249883081 RUIYQJMOZVSNBR-XZOQPEGZSA-N 449.617 5.462 30 10 IKEE N#Cc1ccc(Oc2cc(I)ccc2Cl)c(Br)c1 2259914727 ONXLAHZEAYOTPE-UHFFFAOYSA-N 434.458 5.371 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCC(=O)O)c1ccc(Br)cc1Cl 2261820572 NYPNHZIIFSZTHG-LJQANCHMSA-N 425.706 5.018 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(Nc2ccccc2Br)C[C@@H]2CCCC[C@H]21 2279688668 PCOVZQFTJMZGOR-KLHJMIIUSA-N 434.378 5.323 30 10 IKEE C=CC[C@@]1(COc2nc(Cl)c(Cl)cc2Cl)CCCN(C(=O)OC(C)(C)C)C1 2287696976 HKWLPYASSBGDRR-LJQANCHMSA-N 435.779 6.014 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1c(F)cccc1Br)NCCC 2289755202 ZGUUCAHLKDWZJZ-OALUTQOASA-N 443.401 5.358 30 10 IKEE CCN[C@H](CC#CC1CCCC1)c1ccc(Br)cc1I 2289860697 XTKXBYCGEXEGES-QGZVFWFLSA-N 446.170 5.288 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(CC[C@H](O)C#Cc2cccc(Br)c2)cc1 2296226325 FLWPDLIPLPLYAM-FQEVSTJZSA-N 430.342 5.141 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(OC(=O)c3oc4ccccc4c3C)cc2)SC1=S 2296540246 GDVIPIGFMFXACN-UHFFFAOYSA-N 435.526 5.348 30 10 IKEE Cc1cc2c(cc1C)n1c(C(=O)C=Cc3ccc(N(C)C)cc3)c(-c3ccccc3)nc1n2C 2297578290 MKZRGQOENWGTSN-UHFFFAOYSA-N 448.570 6.072 30 10 IKEE COc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)cc1 2297745596 RMIMPNSDTLFUQX-OAQYLSRUSA-N 437.854 5.114 30 10 IKEE C=CCN1C(=O)C(=O)C(=C(O)c2ccc(Br)cc2)[C@@H]1c1ccc(C(C)C)cc1 2297746517 VBPYAJSFZJKWKG-FQEVSTJZSA-N 440.337 5.180 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]12CCCC[C@@H]1CN(C(=O)OC(C)(C)C)C2 2309434510 SKVYCKGMVFOPHI-FKCDAAJZSA-N 442.644 5.555 30 10 IKEE Cc1ccccc1COc1ccc2c(c1C)OC(=Cc1ccc(Cl)cc1Cl)C2=O 2321742413 AJUDGMUDFNHYCE-UHFFFAOYSA-N 425.311 6.805 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(C(C)C)cc1)O3)CN(Cc1ccccc1)CO2 2321981827 ZQUVQEUYIIGTMD-UHFFFAOYSA-N 425.528 6.087 30 10 IKEE Sc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccc(Cl)c(Cl)c1 2322234839 IIUFYBGCCXLNBW-UHFFFAOYSA-N 441.771 5.421 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc3ccccc3c2)c1OCc1ccccc1C 2322326369 BNHYYVJDHYYJLP-UHFFFAOYSA-N 442.942 7.285 30 10 IKEE Cc1ccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3cc(C)ccc3C)C4)C2=O)cc1 2322413086 WMFPBIBNQMIHMC-UHFFFAOYSA-N 425.528 5.889 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(Cl)cc1)C3=O)CN(CCc1cccs1)CO2 2322416699 UBTHKPPNJGZAJF-UHFFFAOYSA-N 437.948 5.721 30 10 IKEE COC(=O)COc1c(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc(Cl)cc1OC 2322774195 LGTVPKCZKHTSMB-UHFFFAOYSA-N 446.927 5.103 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccccc1OCC(=O)Nc1ccc(C)cc1C 2322845588 SISIUZLVEQWBAY-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE COc1cccc2cc(C(=O)Oc3ccc4c(c3C)OC(=Cc3ccc(C)o3)C4=O)oc12 2322860557 PPBNXRWJKKVLQU-UHFFFAOYSA-N 430.412 5.487 30 10 IKEE COc1cc(C(=O)C=Cc2ccccc2OCc2cccc(Cl)c2)c(OC)cc1Cl 2322864032 MIIRGSQJULLBKE-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc3C2=O)cc1OC 2323057388 GFYXOROOJWLSRN-UHFFFAOYSA-N 442.467 5.247 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC)c(OCc3c(Cl)cccc3Cl)c2)c1 2323068395 GIUDCZZDAAINIR-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE O=C(COc1cccc(C=CC(=O)c2cccc(Br)c2)c1)Nc1ccccc1 2323098074 NEMVLKWZMMDWRJ-UHFFFAOYSA-N 436.305 5.363 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)CCc4ccc(Cl)cc4)cc(C)c3C2=O)c1 2323106121 RAMWTEOHCPMHHS-UHFFFAOYSA-N 432.903 6.111 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1cccc(OCCc2ccccc2)c1 2323258888 ABIGQCCHDZRJAW-UHFFFAOYSA-N 427.327 6.520 30 10 IKEE Cc1ccc(NC(=O)COc2cccc(C=CC(=O)c3c(C)cc(C)cc3C)c2)c(C)c1 2323302581 YEGSBKJDGGDPDF-UHFFFAOYSA-N 427.544 6.142 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OCc1cccc2ccccc12 2323413138 VTIYAIVWRSNYJC-UHFFFAOYSA-N 444.530 7.477 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OC(=O)COc4ccc(Cl)cc4)c3C)C2=O)cc1 2323536335 LGMJBPFQWFYFTP-UHFFFAOYSA-N 448.902 5.811 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OCC(=O)NC2CCCCC2)c(Cl)c1 2323701567 YCFHWHIYOICXCM-UHFFFAOYSA-N 427.928 5.072 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1Cl 2323944113 YTNWRUDLURUILV-UHFFFAOYSA-N 427.972 5.880 30 10 IKEE C[C@H]1C[C@@H](C)CN(Cc2c(O)ccc3c2OC(=Cc2ccccc2Br)C3=O)C1 2324054868 ABRQEYRUUAWLEP-GASCZTMLSA-N 442.353 5.249 30 10 IKEE CCCOc1c(Br)cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1OC 2324070609 SDOCWLPSXKSJDK-UHFFFAOYSA-N 431.370 6.440 30 10 IKEE CN(Cc1c(O)ccc2c1OC(=Cc1ccc(Cl)c(Cl)c1)C2=O)C1CCCCC1 2324074449 CWQZPSMIKXOXTK-UHFFFAOYSA-N 432.347 6.080 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2Cl)c([N+](=O)[O-])c1)c1cccc2ccccc12 2324139925 OFCAMHCOXCZYBN-UHFFFAOYSA-N 443.886 6.877 30 10 IKEE C=CCOc1ccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1Br 2324281490 BRIQZFZQNGWUSO-UHFFFAOYSA-N 435.317 6.702 30 10 IKEE CCN(CC)C(=O)COc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1Cl 2324345626 QQZBARIPXVIONC-UHFFFAOYSA-N 427.972 5.717 30 10 IKEE CCCOC(=O)COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1Cl 2324652187 JKQGFAVDTZBOCT-UHFFFAOYSA-N 427.711 5.875 30 10 IKEE CCCCCCOC(=O)COc1ccc2c(c1C)OC(=Cc1ccc(OCC)cc1)C2=O 2325031331 BJUWYRXFUHJULF-UHFFFAOYSA-N 438.520 5.512 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(Cl)cc2)ccc2c1OC(=Cc1ccccc1F)C2=O 2325513903 RGKHOLVATAGFOT-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc([N+](=O)[O-])cc1 2325571824 WGDDGTXCKGXIAV-UHFFFAOYSA-N 433.896 5.106 30 10 IKEE CCOc1cc(C=CC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)ccc1OC 2325631696 JIPNSWHCNULBAF-UHFFFAOYSA-N 428.699 5.275 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)NCc4ccccc4Cl)cc(C)c3C2=O)cc1 2325642713 OJIXEZUBQZVVSK-UHFFFAOYSA-N 447.918 5.268 30 10 IKEE CCCCCCCCC(=O)Oc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OC 2325701448 NNIRGFDVCTXDQA-UHFFFAOYSA-N 448.603 7.126 30 10 IKEE CCCOc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccccc3Cl)c2)cc1 2325717591 SHQQIDZAUHAREE-UHFFFAOYSA-N 434.919 6.173 30 10 IKEE O=C(COc1ccc(Cl)cc1Cl)Oc1cccc(C=CC(=O)c2ccc(F)cc2)c1 2325751350 MEXOHXKGOWGBRT-UHFFFAOYSA-N 445.273 6.013 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1ccc(O)cc1 2325909919 VJZHNMSKYPCTBL-UHFFFAOYSA-N 435.336 5.030 30 10 IKEE Cc1ccc(COc2ccccc2C=Nn2cnnc2SCc2ccccc2F)cc1 2326255206 OBWSQZZJLARBEF-UHFFFAOYSA-N 432.524 5.479 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccccc2C)c(C)c1 2326461257 NQAUSBXKRSEHFM-UHFFFAOYSA-N 426.589 5.969 30 10 IKEE CCCOc1c(Cl)cc(C=Nn2cnnc2SCc2cccc(F)c2)cc1OCC 2326725939 XSLOETNMFVQVPA-UHFFFAOYSA-N 448.951 5.433 30 10 IKEE CCCSc1nnc(CCc2ccc(OC)cc2)n1N=Cc1ccccc1OC(C)C 2328582181 WTXADDPWDOZKRC-UHFFFAOYSA-N 438.597 5.243 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2ccncc2)cc1C 2328790144 PUAQNKUXONKTTO-UHFFFAOYSA-N 429.549 5.043 30 10 IKEE Cc1ccc(OCc2nnc(SCc3cccc(F)c3)n2N=Cc2ccncc2)c(C)c1 2328895154 DRXLEGOBOSUZRM-UHFFFAOYSA-N 447.539 5.183 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2N=Cc2ccco2)cc1C 2329453371 RSGXXJAQXMQWSB-UHFFFAOYSA-N 436.968 5.907 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2cccc(Cl)c2)n1N=Cc1cccn1C 2330135758 AYBDZFZRGQBYQB-QGZVFWFLSA-N 435.984 5.596 30 10 IKEE CCCCCCOc1ccc(C=Nn2c(SCC)nnc2-c2cccs2)cc1OC 2330567153 IQRHAISOCJUSNC-UHFFFAOYSA-N 444.626 5.969 30 10 IKEE Fc1ccccc1CSc1nnc(-c2cccs2)n1N=Cc1cccc(Cl)c1 2330583465 AXTWWUVXIKDEIV-UHFFFAOYSA-N 428.945 5.974 30 10 IKEE CCCC(=O)Oc1c(Br)cc(C=CC(=O)c2cccc(OC)c2)cc1OCC 2330796975 RLWYPXKSLGNFJB-UHFFFAOYSA-N 447.325 5.458 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccccc1F 2330823983 AWEIWTHUIZWMDN-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE CCc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccccc2Cl)cc1 2330848355 UTQWILWWHFHWMZ-UHFFFAOYSA-N 427.017 6.257 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3C)c(OC)c2)cc1 2330992486 PLPCOENHZGEGFK-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE CCc1ccc(C(=O)Oc2c(Cl)cc(C=CC(=O)c3ccc(C)cc3C)cc2OC)cc1 2331215809 BVEXPYFKBWUUIG-UHFFFAOYSA-N 448.946 6.643 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)c1cccs1 2331328913 CCEDVXODAWRQMQ-UHFFFAOYSA-N 432.541 6.217 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(Cl)c(OC(=O)c2ccncc2)c(OC)c1 2331351374 OCXJFUMFFILAEQ-UHFFFAOYSA-N 437.879 5.176 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3cccc4ccccc34)cc2)cc1 2331468574 AIEWAVUMKYJYIS-UHFFFAOYSA-N 436.507 6.283 30 10 IKEE COc1ccccc1C=Nn1c(SCc2ccc(Cl)c(Cl)c2)nnc1C1CCC1 2331541759 OJQYOAQDMCKMNC-UHFFFAOYSA-N 447.391 6.036 30 10 IKEE CCC(=O)Oc1c(OC)cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC 2331574946 CUXIEZIGDZVJPD-UHFFFAOYSA-N 426.509 5.356 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc(Cl)c1OC(=O)C1CC1 2331591880 QEHJJNNXBRGPFA-UHFFFAOYSA-N 448.902 6.352 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)COc3ccccc3)c(Cl)c2)c(C)c1 2331768616 ABQXNXPBBKSICG-UHFFFAOYSA-N 434.919 6.146 30 10 IKEE CC[C@H](CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2333319587 UVFOCYGYACXLAY-NNYQNENDSA-N 426.685 7.412 30 10 IKEE Cc1cc(Br)c(Oc2ncnc(Cl)c2C#N)cc1NC(=O)OC(C)(C)C 2344221074 DRSVHYLPBWPFMH-UHFFFAOYSA-N 439.697 5.212 30 10 IKEE C=CC[C@@H](C)[C@@H](Cc1ccc(I)c(Br)c1)NCCC 2349779794 YEAJAZAWFGYFKK-MLGOLLRUSA-N 436.175 5.177 30 10 IKEE CN(Cc1cc(Br)cs1)c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2365106507 LOJCNEYHJDLEOY-CMDGGOBGSA-N 435.196 5.187 30 10 IKEE COCc1ccc(CN(C(=O)OC(C)(C)C)[C@H](C#N)c2cc(Cl)sc2C)s1 2368041424 DKIHOFRJBZBSBP-MRXNPFEDSA-N 426.991 5.920 30 10 IKEE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)cc1Cl 14092507 JRFLKRNCOZLOGU-UHFFFAOYSA-N 447.391 5.287 30 10 IKEE CN1/C(=C2\S/C(=N/CCc3ccccc3)N(C3CCCCC3)C2=O)Sc2ccccc21 15945483 XXKXHEMQEIRIBP-UXKFRGQBSA-N 449.645 5.904 30 10 IKEE CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(Cl)c2Cl)cc1 21235205 MUZSJEWLPQHFSH-QAPCUYQASA-N 442.386 6.295 30 10 IKEE CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(CC)cc2)C3)cc1 21259895 JUUOYHNSLYRLFQ-ZTOMLWHTSA-N 438.571 6.627 30 10 IKEE COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2c(F)cccc2Cl)c1 21260350 GOOUKOOCYRUABL-YHAMSUFESA-N 448.925 6.467 30 10 IKEE CCOc1ccc([C@@H]2C3=C(C[C@H](c4ccc(OC)cc4)CC3=O)Nc3onc(C)c32)cc1 21660457 IZMNHMUWDJVXOA-UUOWRZLLSA-N 430.504 5.349 30 10 IKEE CCCCN(CC)C(=O)c1ccc(N/N=C2\C(=O)Nc3c(Cl)cc(Cl)cc32)cc1 22654351 SRFALZCSGMRXQT-UHFFFAOYSA-N 433.339 5.024 30 10 IKEE COc1ccc(C(=O)O/N=C2\CC(C)(C)Cc3c2cc(C)n3-c2ccc(Cl)cc2)cc1 39853220 LQYALUXLASPMLF-HPNDGRJYSA-N 436.939 5.981 30 10 IKEE C=CCOc1cccc([C@@H]2c3c(-c4cc(Cl)c(C)cc4O)n[nH]c3C(=O)N2CC=C)c1 39914547 XMXIAWNYDBXNMK-HSZRJFAPSA-N 435.911 5.040 30 10 IKEE C=CCc1ccc(OCCCn2c([C@H](C)Oc3ccccc3)nc3ccccc32)c(OC)c1 40236217 HPEJODFCOBYOOP-NRFANRHFSA-N 442.559 6.383 30 10 IKEE CC(C)(C)c1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3cccs3)CO4)C2=O)cc1 41659146 CXRNUIJJUBXWPI-QRVIBDJDSA-N 431.557 6.014 30 10 IKEE N#CCn1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c2ccccc21 59676428 WZESJRJHUCBHMJ-LQKURTRISA-N 438.556 6.108 30 10 IKEE COc1ccc2cc(Br)ccc2c1CC(=O)O/N=C1\C[C@H]2CC[C@@]1(C)C2(C)C 100938723 CAWOTJUVXCOCEC-QTVLIDBDSA-N 444.369 5.899 30 10 IKEE C=CCc1cc(/C=C2/S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)cc(OC)c1O 101450626 JACQLCOQEXLMCM-LQLRGMOSSA-N 448.588 6.066 30 10 IKEE Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)O/C(=C/c2ccc(Cl)cc2)C3=O)cc1 102766896 QSRNKIXPKSZBPP-CIAFOILYSA-N 426.877 5.032 30 10 IKEE O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 104103051 HFVSOGHIUKPWMU-UHFFFAOYSA-N 435.673 6.649 30 10 IKEE C=CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N/c1ccc2ncccc2c1 107163662 UPCHTFZTFAPMCZ-CCSRSWJSSA-N 430.558 5.395 30 10 IKEE COc1cc(/C=C\C(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)ccc1OCC#N 115349139 YSUDUOILUHHWBS-SQOSPRHESA-N 438.483 5.263 30 10 IKEE COc1ccc(Cl)cc1[C@@H](C#N)C(=O)c1cc(Br)c(Br)s1 128469112 VJAAWLKZCYEJHT-SECBINFHSA-N 449.551 5.425 30 10 IKEE CCOc1cc(/C=N/Nc2ccc(C)c(Cl)c2)ccc1OCc1cccc(Cl)c1 169879411 GYQQWMRQBSTNLP-VULFUBBASA-N 429.347 6.726 30 10 IKEE CCCCCCCOc1ccccc1/C=N/NS(=O)(=O)c1ccc(OC(C)C)cc1 169906355 MSUXXSGDBOTSQU-HKOYGPOVSA-N 432.586 5.135 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2ccccc2OC)cc1 169942472 GLYRSJXBDIFXSF-OAQYLSRUSA-N 448.544 5.114 30 10 IKEE COc1ccc(-c2csc(N/N=C\c3ccc(OC)c(OC(C)C)c3)n2)cc1OC 169943109 IIEZYCPNILMPRT-FMCGGJTJSA-N 427.526 5.069 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2cccc(Cl)c2)c1 169970275 JJMLVAZBNTWWOU-HSZRJFAPSA-N 445.902 5.366 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2nc3ccccc3[nH]2)c1 169973133 PGKUMTBTNLGNFW-HSZRJFAPSA-N 437.499 5.271 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1cccc(OC(C)C)c1 169981237 OUFDXXIGWZVPMM-HXUWFJFHSA-N 442.581 5.316 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 170031230 DKIGWGSOPVBKLP-HSZRJFAPSA-N 431.488 5.019 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2C2CCCC2)cc1 170033998 ZEEWAYBSHGNBEA-DEOSSOPVSA-N 449.547 5.395 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccc(C)cc2)c1 170036843 CMAXVRFUXBACBP-QHCPKHFHSA-N 447.918 5.830 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2c[nH]c3ccccc23)cc1 170075151 DRHRXHKHFSAWCQ-RUZDIDTESA-N 436.511 5.876 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccs1 170162651 GTZCXWGWRVUZDQ-SFHVURJKSA-N 443.908 5.090 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccccn1)c1cccc(Cl)c1 170173529 CRNGCUNHMDYEBT-LJQANCHMSA-N 425.271 5.171 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccnc2)c1 170184767 JTAHBXMYBIDWOM-QHCPKHFHSA-N 446.478 5.038 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc(OCC(C)C)c1 170219098 MFKOVZYDJKRWSB-VWLOTQADSA-N 443.543 5.863 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(F)cc2)c(C)c1 170239748 YFTAJNJIIUOJAY-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc(O)c1 170259865 ULRLURJTHFXKTO-VWLOTQADSA-N 435.479 5.637 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2C)ccc1Cl 170272013 YHWFZISITQSJSN-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccccc1C 170278263 PPYJVQMHLMHQBC-NRFANRHFSA-N 425.912 5.178 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccco2)cc1 170281056 CPEQMWAGQLUTCP-DEOSSOPVSA-N 445.515 5.973 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccco2)cc1C(C)C 170286209 DFKNJGFQAIHLPG-HSZRJFAPSA-N 431.488 5.503 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccco2)ccc1Cl 170287526 HXNQNRDVJYNPQT-OAQYLSRUSA-N 437.879 5.423 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1ccc(F)c(Cl)c1 170333837 ZTKDGERDVAAOLE-NRFANRHFSA-N 437.854 5.271 30 10 IKEE N#Cc1ccc(Nc2cc(Br)ccc2Br)c(F)c1Br 231844767 GNLPJKKOJRIFKQ-UHFFFAOYSA-N 448.915 5.728 30 10 IKEE N#Cc1cnc2c(N=Nc3ccccc3Cl)c(N)nn2c1-c1nc2ccccc2s1 252610825 IDTPYYWCUPVNEC-UHFFFAOYSA-N 430.884 5.529 30 10 IKEE Cc1ccc(N=C2S/C(=C/c3ccc(O)cc3)C(=O)N2c2ccc(C)c(C)c2)cc1C 252620822 MMQCPIFJAXNHKY-APZKEAJMSA-N 428.557 6.434 30 10 IKEE CCOc1cc(C=Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccccc1F 254761181 SDXIRRWDWVXMDW-UHFFFAOYSA-N 434.536 6.366 30 10 IKEE C=C(C)[C@@H]1CC[C@@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)C(=O)C[C@H](O)[C@@]34C)[C@@H]12 257514282 POKGESLRCWHPFR-KWTDDGARSA-N 440.712 7.204 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1cccc(OCC(C)C)c1 526807128 JKJARZUBKNKCFQ-QFEZKATASA-N 443.016 6.093 30 10 IKEE CCc1nnc(SCc2cccc(C)c2)n1/N=C\c1ccc(OCc2ccccc2)cc1 526808187 PNMVFGCELVGBNJ-PKAZHMFMSA-N 442.588 5.902 30 10 IKEE CCOc1ccc(/C=N\n2cnnc2SCc2c(F)cccc2Cl)cc1Cl 526816919 LLHAIYWTOIUKNE-AQHIEDMUSA-N 425.316 5.297 30 10 IKEE CCc1ccc(S(=O)(=O)N(C(=O)c2cccc(C#N)c2)c2ccc(C(C)(C)C)cc2)cc1 586262155 BZEZNPZMOGOFGP-UHFFFAOYSA-N 446.572 5.454 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)[C@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C1(C)C 693741676 RTVOAMSYSYNXFL-LZDTVADOSA-N 435.609 5.340 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@](C)(C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 699658291 JWLWPPWSRVBWEV-OSPHWJPCSA-N 447.551 5.497 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@]1(C#N)CCCN(C(=O)OCc2ccccc2)C1 720804092 VNYBNTYOIVJUQA-VWLOTQADSA-N 441.572 5.251 30 10 IKEE CC(=NNc1nc(SCC(=O)Nc2ccc(C)c(C)c2)n[nH]1)c1ccc2ccccc2c1 1083943463 FMIPGPQRJISELG-UHFFFAOYSA-N 444.564 5.142 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)CSc2n[nH]c(NN=C(C)c3ccc(C)cc3)n2)cc1 1084131210 SNZDJJMAVWFAGW-MRXNPFEDSA-N 436.585 5.194 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=Nc1nccs1 1772724693 XUVBPNFVMVPVDO-OYBLBNEUSA-N 438.490 5.101 30 10 IKEE C=CCN1C(=O)/C(=C(\C)c2ccc(Br)cc2)SC1=Nc1ccncc1Cl 1772736421 KWOANUDHWSAFDV-ZTHFNACSSA-N 448.773 5.678 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(CC)cc2)SC1=Nc1nc(-c2ccccc2)cs1 1772739283 SPUYATCJABKXOT-POLMPROESA-N 431.586 6.163 30 10 IKEE O=C1/C(=C/c2ccc(O)cc2)SC(=NN=C/C=C/c2ccccc2)N1Cc1ccco1 1772758880 GSIBOBZPACPVGE-DQNRBCMOSA-N 429.501 5.157 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)c1ccc2nc(CC)[nH]c2c1)[C@H](C)CC 1860963437 FOYDUVYGLUUDDD-NTKDMRAZSA-N 442.648 5.527 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](C)NC(=O)c1ccc(OCCCC)c(OCC)c1 1861750309 PZXXSGVXFORJST-OAQYLSRUSA-N 448.648 5.639 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C(C)C)c1 1862382247 ARKRINKZUGCKOL-LJQANCHMSA-N 434.319 5.379 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(F)cc1)c1ccc(Cl)cc1Cl 1862382978 QAHXXVUHMPKYCP-IBGZPJMESA-N 434.294 5.653 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862396908 LPPPVYGMPCLACE-DEOSSOPVSA-N 431.576 6.091 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2cccc3ccccc23)cc1 1862398111 VSLFYYKLSXEXDI-VWLOTQADSA-N 427.544 6.169 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2cccc(O)c2)cc1C 1862400284 AOKAYZVDQRWNKP-HSZRJFAPSA-N 435.520 5.010 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CCCC2)c1 1862419417 USWKVWONQXXVEW-QFIPXVFZSA-N 441.474 5.275 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCCOC(C)C)cc1 1862429399 MCAYJDDHAJSDJC-OAQYLSRUSA-N 427.928 5.042 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1 1862443013 MEUSAYVJHNACOH-IRLDBZIGSA-N 443.946 6.416 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2c(F)cccc2Cl)cc1 1862481199 ZFJKDODYMXEDGF-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862489678 YDBZWCJYMYVHBF-DEOSSOPVSA-N 445.490 5.230 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(OCCCCC)cc1 1862511229 JISRGEMVRUTPFS-HSZRJFAPSA-N 437.511 5.467 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 1862531403 NAFJVUYSDSBRAP-XMMPIXPASA-N 449.591 5.550 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2ccc(O)cc2)cc1 1862534463 UHLGHQMZHDVTPZ-DEOSSOPVSA-N 427.500 5.042 30 10 IKEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2cccc(C)c2)cc1 1862589921 WYGDRPUTIRIWOA-XDHUDOTRSA-N 443.499 5.049 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2c(Cl)cccc2Cl)cc1 1862668085 QEVBNCQHYJEEQM-HXUWFJFHSA-N 432.347 6.104 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2F)cc1 1862673503 LZXDCFLADSTNRH-GYCJOSAFSA-N 447.481 5.867 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc(Cl)c1 1862675884 VWDBOVUTDZOPJZ-JOCHJYFZSA-N 443.946 6.418 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccc(C)c1 1862722236 OLPMQFONLRMXTB-RUZDIDTESA-N 425.528 6.040 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1Cl 1862760705 UQCBNINYAWMHRN-VOJFVSQTSA-N 449.290 5.278 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(N(CCC)CCC)cc2)=C(c2ccc(F)c(C)c2)C1=O 1863467100 GOJVPPCRODLKPT-UHFFFAOYSA-N 435.543 5.139 30 10 IKEE C[C@@H]1Cc2ccccc2N(c2cc(Nc3cccc(C#N)c3)nc(Cc3ccccc3)n2)C1 1868200870 HPDBAMXVJPUIEA-HXUWFJFHSA-N 431.543 6.013 30 10 IKEE N#Cc1nnn(Cc2ccccc2Cl)c1NC(=O)/C(=C\c1ccccc1)c1ccccc1 1870106462 NHGQYSAWLXBVIZ-QNGOZBTKSA-N 439.906 5.031 30 10 IKEE CCCCc1ccc(-n2nnc(C#N)c2NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 1870145416 YPIMWQIDGGTLHX-SFHVURJKSA-N 431.540 5.011 30 10 IKEE CCCCCCCCn1cc(OCCc2ccccc2)c(=O)cc1CN1CCC(C)CC1 1870691540 KAPQQRSFBBEQRU-UHFFFAOYSA-N 438.656 6.062 30 10 IKEE CCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(Cl)c(C)c1 1871250960 GLGMYOFMHGMAMA-UHFFFAOYSA-N 435.955 5.673 30 10 IKEE CCCCC[C@H](CC)N1COc2ccc3c(c2C1)O/C(=C\c1ccc(N(C)C)cc1)C3=O 1871347614 LHYIOKNJMIBHIK-HBAFHOPNSA-N 434.580 5.880 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1cccc([N+](=O)[O-])c1)C3=O)CN([C@@H]1CCCC[C@@H]1C)CO2 1871356192 YUZOMVBSYNKBGC-OGGWXJQVSA-N 434.492 5.250 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)ccc3C2=O)cc1 1871374834 FKVXNPRLUMIMNA-DHLMYGRGSA-N 430.887 6.137 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OC(=O)/C=C/c4ccc([N+](=O)[O-])cc4)c3C)C2=O)c1 1871382168 MLSUQVTWHQJUSJ-DIBFYORYSA-N 441.439 5.447 30 10 IKEE Cc1c(OCc2ccc(C(=O)OC(C)C)cc2)ccc2c1O/C(=C\c1ccccc1F)C2=O 1871414153 JESMIZHLULAHFQ-OYKKKHCWSA-N 446.474 5.895 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OCc4ccccc4C#N)c3C)C2=O)c(OC)c1 1871437122 ITSYEDTUVMVGOF-MSXFZWOLSA-N 427.456 5.079 30 10 IKEE Cc1ccc(CCOc2ccc3c(c2)O/C(=C\c2ccc(Cl)c(Cl)c2)C3=O)cc1 1871437572 JOOZAUYTDVJOFZ-QRVIBDJDSA-N 425.311 6.540 30 10 IKEE Cc1c(OCC(=O)Nc2cccc(Cl)c2)ccc2c1O/C(=C\c1cccs1)C2=O 1871454265 GCKGHQXBKBDGJU-ODLFYWEKSA-N 425.893 5.344 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cccc(C)c1)c1ccccc1)S(=O)(=O)c1cccs1 1872252955 AVISBZKMQQWRLT-QFIPXVFZSA-N 440.590 5.003 30 10 IKEE N#C[C@@H](C(=O)COc1ccc(Cl)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872759717 XODLRLLJYDYZPG-QFIPXVFZSA-N 444.943 6.386 30 10 IKEE Cc1c([N+](=O)[O-])cc(C(=O)[C@H](C#N)c2nc(-c3cccc(Cl)c3)cs2)cc1[N+](=O)[O-] 1872766978 QZYWTZLTINGBEG-AWEZNQCLSA-N 442.840 5.078 30 10 IKEE N#C[C@@H](C(=O)c1ccccc1C(=O)c1ccccc1)c1nc(-c2cccc(Cl)c2)cs1 1872767396 ZCBLPKIBRWKRAS-NRFANRHFSA-N 442.927 6.185 30 10 IKEE CCCCCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3C)cs2)cc1 1872768741 BAZCOJVDUJQBTH-QHCPKHFHSA-N 432.589 6.876 30 10 IKEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)COc3cc(Cl)ccc3Cl)n2)c(C)c1 1872768954 GDBXHGCESNQHLC-INIZCTEOSA-N 431.344 5.989 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)[C@@H](C#N)c1nc(-c2ccc(C)c(C)c2)cs1 1872783401 YXQNMGCVOMWFCN-CQSZACIVSA-N 431.344 6.232 30 10 IKEE CCCCCCCCCCNC1=C(c2c(Cl)cccc2Cl)C(=O)N(C2CC2)C1=O 1873094374 YCSPAJHDDCYMPK-UHFFFAOYSA-N 437.411 5.966 30 10 IKEE CCCCCCCCNC1=C(c2ccc(Cl)cc2)C(=O)N([C@H]2CCCC[C@@H]2C)C1=O 1873138618 YJTJNGCGLULTIU-RXVVDRJESA-N 431.020 5.949 30 10 IKEE CCCCCCCCNC1=C(c2ccc(C)c(C)c2)C(=O)N([C@H](CC)CCCCC)C1=O 1873140884 BAXUTFGHDIUXNW-XMMPIXPASA-N 440.672 6.692 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cc(C)ccc2C)=C(c2ccccc2C)C1=O 1873303189 ROAYXPUCDVDJLP-UHFFFAOYSA-N 446.635 6.945 30 10 IKEE CCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C/c1ccc2nccnc2c1 1873501699 KJTVLNXQOAFDMK-LQKURTRISA-N 444.608 5.646 30 10 IKEE C=CCNC(=O)c1cc2c(N(CCCC)CCCCCC)ncnc2n1Cc1ccco1 1873597786 LSQZQDBSGAYMDP-UHFFFAOYSA-N 437.588 5.175 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C(C)(C)C)c2)cc2c(N3C[C@@H](C)C[C@H](C)C3)ncnc21 1873665012 CGUVDKLSZGAPGM-OALUTQOASA-N 445.611 5.649 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccccc1C 1874214036 SDLFKCJSLOSUHG-LFVJCYFKSA-N 426.973 5.412 30 10 IKEE CCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccc(C(C)C)cc1 1874230650 UZSSRRVRUWXQHV-ZMOGYAJESA-N 428.989 5.937 30 10 IKEE CSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc(C(C)(C)C)cc1 1874233336 DETJTHALZGTKNB-OVVQPSECSA-N 428.605 6.118 30 10 IKEE CCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1cc(Cl)ccc1O 1874255060 IJWVOOAQGICHSU-FOKLQQMPSA-N 430.961 5.136 30 10 IKEE CCCCC1CCC(c2nnc(SCC)n2/N=C/c2ccc(OC)c(OC)c2)CC1 1874285178 SLERVLRHDGVWTN-LFVJCYFKSA-N 430.618 5.754 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccc(C)cc3)n2/N=C/c2ccccn2)cc1 1874302453 ZSCGXUDOLIVGJJ-WPWMEQJKSA-N 443.576 5.146 30 10 IKEE Fc1ccccc1/C=N/n1c(CCCOc2ccccc2)nnc1SCc1ccccc1 1874315723 HRLOHXGCOOYWGR-OVVQPSECSA-N 446.551 5.603 30 10 IKEE CN(C)c1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2F)cc1 1874416887 NJGULZAWHKXIMJ-WPWMEQJKSA-N 445.567 5.249 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2ccccc2F)nnc1-c1ccccc1 1874428279 AUFWWBYUISYPKG-WPWMEQJKSA-N 444.535 5.824 30 10 IKEE Fc1cccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CCCC2)c1 1874456816 MFCLRIJVPJTBSI-JVWAILMASA-N 430.552 6.403 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1cccc(OC)c1OC 1874479739 OVJKRYIVXJDITG-ZVHZXABRSA-N 444.988 5.466 30 10 IKEE CC(C)Cc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874489502 VNLNEVAJCZDBFX-RPPGKUMJSA-N 436.478 5.809 30 10 IKEE CCCOc1cccc(/C=N/n2c(COC)nnc2SCc2ccccc2Cl)c1 1874502109 QFMFISWFFLDVHM-YDZHTSKRSA-N 430.961 5.041 30 10 IKEE COCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1c[nH]c2ccccc12 1874505882 CVTAZESTZODPGJ-YSURURNPSA-N 446.363 5.387 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CC2)c1OC 1874519680 GUBCBMPPJCHQDQ-FSJBWODESA-N 428.945 5.001 30 10 IKEE COc1cccc(/C=N/n2c(S)nnc2[C@@H](C)c2ccccc2)c1OCc1ccccc1 1874561075 CLYZCWOVSMCHKH-PMFZIYJTSA-N 444.560 5.188 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2nccs2)cc1C 1874573784 FECDUTJUWNHZMZ-ZZXKWVIFSA-N 442.924 5.027 30 10 IKEE CCCNC(=O)COc1ccc(Br)cc1/C=C/C(=O)c1ccc(C(C)C)cc1 1874583261 DYKLVUJSKFCGSN-PKNBQFBNSA-N 444.369 5.374 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3cccc(C)c3)c2)cc1 1874594164 WJFFWVQCKXWJDJ-GXDHUFHOSA-N 429.516 5.480 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OCc1nc(O)c2ccccc2n1 1874598180 YVCYPVXHJBLBSE-UXBLZVDNSA-N 448.425 5.097 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2cccc(OCc3ccc(F)cc3)c2)cc1Cl 1874600048 PVUGZJNJGJTMPP-JXMROGBWSA-N 431.290 6.616 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OCc1ccc(Cl)cc1Cl 1874614181 JFKURXHOKPLRPE-DHZHZOJOSA-N 443.326 6.486 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccccc2)cc1Br 1874614290 CUCOPOKNHKUTDU-ZRDIBKRKSA-N 444.369 5.373 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)c1OCc1ccccc1C 1874617876 XWGBFRXCMLWLSK-ACCUITESSA-N 434.963 7.139 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1ccc(F)cc1 1874625185 QCESHTKRNHBABL-QDEBKDIKSA-N 429.260 6.202 30 10 IKEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1Br 1874633068 KMMUOYXKCRJFNG-DHZHZOJOSA-N 444.369 5.209 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1OC(=O)c1cccnc1 1874695333 VSGSTIGUSPSKJS-XBXARRHUSA-N 428.271 5.512 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(F)cc3F)c2)cc1 1874699564 AQPBEUGRVRYFAZ-NTEUORMPSA-N 436.454 5.934 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OC(=O)Cc1cc(C)ccc1C 1874700773 LZGYPEAZHRBUHM-WUXMJOGZSA-N 434.919 6.010 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(Cl)cc3)c2)cc1 1874702066 QXQTUPPUJFFDEI-OVCLIPMQSA-N 434.919 6.173 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2ccc(C)cc2)cc1OC(=O)C(F)(F)F 1874703067 XNCMPZHVLOGILE-BQYQJAHWSA-N 443.215 5.130 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Br)c2)cc(Cl)c1OC(=O)C1CCC1 1875114790 VUEQTBZRUWYULX-CMDGGOBGSA-N 449.728 5.713 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC(=O)c1cccc(Cl)c1 1875122335 YFQJWSUDPKHQBJ-PKNBQFBNSA-N 441.310 6.507 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)cc2F)c([N+](=O)[O-])c1)c1cccc(Cl)c1 1875124109 AGROPMLPBOICCC-XBXARRHUSA-N 443.789 5.642 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc([N+](=O)[O-])c1OC(=O)CC(C)(C)C 1875124131 BMZATFJEIOKBTN-MDZDMXLPSA-N 445.899 5.885 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)c(C)c3)c(OCC)c2)cc1 1875130312 FVQZKXCPRDJLOU-OVCLIPMQSA-N 444.527 6.216 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)Cc1ccc(C)cc1 1875138583 ANQOJQJHMXNGLG-VAWYXSNFSA-N 448.946 6.318 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc([N+](=O)[O-])c1OC(=O)c1ccco1 1875141913 CAZQEQGGNBQDOX-RMKNXTFCSA-N 439.395 5.149 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 1875143636 JUPPJAWSCMMTJE-KPKJPENVSA-N 431.444 5.336 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)C3CCC3)c(Br)c2)c1 1875144868 SLZLVIQELBYLEP-RMKNXTFCSA-N 445.309 5.068 30 10 IKEE CCCCCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1OC 1875149958 QDKMEGRKAPKRKE-PKNBQFBNSA-N 440.492 5.204 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2Cl)c1 1875150078 WKJFICVIDJHCPT-ZZXKWVIFSA-N 434.875 5.801 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCSC)c(Cl)c2)c(C)c1C 1875166625 ALXREJAKVFDEMX-JXMROGBWSA-N 432.969 5.910 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1cnccn1 1875170243 NSONJGIMCBMHGW-VQHVLOKHSA-N 430.504 5.224 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)COc1ccccc1 1875170424 WZHINGYIMNPTHP-ACCUITESSA-N 444.527 5.809 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OC 1875175781 GLJYFAZJQSQMAX-ACCUITESSA-N 428.956 6.737 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)Cc1ccccc1F 1875177213 ZVUXCQKJSILRAY-JLHYYAGUSA-N 432.491 5.885 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc1OCC 1875193684 VMBBWAJBBDMPCQ-VQHVLOKHSA-N 437.319 6.002 30 10 IKEE C=CCN(C[C@@H](NCCC)c1cc(F)c(Br)cc1F)C(=O)OC(C)(C)C 1894939882 PLJJJTPMFYQJLS-QGZVFWFLSA-N 433.337 5.191 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@H]1CCCCN1C(=O)OC(C)(C)C 1944736790 QOUUEPYLVHCODJ-PMACEKPBSA-N 429.561 5.418 30 10 IKEE CC[C@@H]1N(C(=O)OC(C)(C)C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1991579254 RYQLSJWIMKZTFL-JTSKRJEESA-N 435.952 5.373 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)C(F)(F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2012268250 PSHUIHMKNJYVES-LEWJYISDSA-N 438.559 5.020 30 10 IKEE CCCC#CC[C@@H](NCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2024373692 RPPSLIXCDFGHNS-ZEQKJWHPSA-N 428.617 5.002 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@H](C#N)[C@]1(C)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2078865044 KGNTXTCBNKTUHJ-CLOONOSVSA-N 449.636 5.874 30 10 IKEE CCOC(=O)c1c(C(C)C)nn(Cc2cc(F)ccc2C(F)(F)F)c1C(F)(F)F 2079087391 KPFYYNQPXMNJBE-UHFFFAOYSA-N 426.332 5.408 30 10 IKEE N#Cc1c(C2CC2)nn([C@H](c2ccc(C(F)(F)F)c(F)c2)C2CC2)c1Br 2079983702 FSZSBSWWLXENNO-INIZCTEOSA-N 428.227 5.552 30 10 IKEE C[C@@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)(F)F)c(C(=O)O)c1Br 2080053173 RTZAYRFTSXJJRC-YFKPBYRVSA-N 449.120 5.130 30 10 IKEE C=C([C@@H](NCCC)c1cc(I)ccc1Br)C(C)(C)C 2096625773 VGLCVTSHGSBVFZ-OAHLLOKOSA-N 436.175 5.697 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(Br)ccc(Cl)c1F 2098966238 PZHHHMWJCRAHIL-WMLDXEAASA-N 447.776 5.199 30 10 IKEE C=CC1(C[C@@H](NCC)c2cc(Br)ccc2I)CCC1 2111712380 WNJYZQNDSMZRDP-OAHLLOKOSA-N 434.159 5.451 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)C1([C@@H]2CCCCO2)CC1 2164402338 ROVKWEWQEKGAFE-ROUUACIJSA-N 435.362 5.432 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CC[C@H]2CCCN[C@@H]2C1 2166985292 SSQNXCSZKJVAGN-FQELHTAISA-N 434.378 5.005 30 10 IKEE CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)cc2Br)C2(CCCCC2)C1 2174808890 SYOIABPZBPRNOY-UHFFFAOYSA-N 434.378 5.081 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(Br)cc2C#N)CC12CCCC2 2194602087 ZXEGTQUWZYYQTP-KRWDZBQOSA-N 434.378 5.445 30 10 IKEE C[C@H]1CC[C@@]2(CSC(=Nc3ccc(Cl)c(I)c3Cl)N2)C1 2194661471 MWKRJSCXPKIBCM-RTHLEPHNSA-N 441.165 5.481 30 10 IKEE CN(c1cc(Br)cc(C#N)c1)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1 2197458003 HBYAPQJYVARFLJ-IBGZPJMESA-N 430.346 5.023 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Cl)c(NC(=O)[C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)c1 2247828594 HQSVKMZKTNLGSH-UONOGXRCSA-N 436.745 5.108 30 10 IKEE C=C(COCc1ccccc1)[C@H](CN(C(=O)OC(C)(C)C)C1CCCCC1)NCCC 2250626917 SCYKOZKTJQYAES-DEOSSOPVSA-N 430.633 5.697 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)c1cc(Br)c(C)s1 2262201982 GJCZSJBAPHCKJJ-IBGZPJMESA-N 425.344 5.124 30 10 IKEE C=CCCC1([C@H](NC)c2cc(F)ccc2Br)CN(C(=O)OC(C)(C)C)C1 2266310269 NLGWHQAKONVMLL-QGZVFWFLSA-N 427.358 5.052 30 10 IKEE Cc1cc(C(=O)N(Cc2ccccc2)[C@@H](C)C(C)C)cc(C)c1B1OC(C)(C)C(C)(C)O1 2267577397 RNCQHWCGNLPEMZ-NRFANRHFSA-N 435.417 5.290 30 10 IKEE Cc1cc(F)c([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)c(F)c1 2283527781 ISBPRMHQZUMLKN-KRWDZBQOSA-N 437.284 6.042 30 10 IKEE CN[C@H](C#Cc1cccc(Br)c1)CC1(NC(=O)OC(C)(C)C)CCCCC1 2296217565 VZCPMQTVESLLBW-LJQANCHMSA-N 435.406 5.006 30 10 IKEE CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(Cl)c(O)c(Cl)c2)C1=O 2297315862 WHQNNZJURZYMPD-UHFFFAOYSA-N 436.316 5.243 30 10 IKEE FC(F)(F)c1nc(NN=Cc2ccc(Br)cc2)sc1-c1ccccn1 2297321883 NSNZQSIXRUSHEL-UHFFFAOYSA-N 427.249 5.432 30 10 IKEE CN1C(=O)C(=Cc2cccc(OCc3ccc(Cl)cc3)c2)SC1=Nc1nccs1 2314542570 MEHVZCFHXCZUEC-UHFFFAOYSA-N 441.965 5.609 30 10 IKEE CCCCC1CCC(c2nnc(S)n2N=Cc2ccc(OCCC)c(OCC)c2)CC1 2322106830 ZYFYNEWTVIZYJY-UHFFFAOYSA-N 444.645 6.101 30 10 IKEE COc1ccccc1CN1COc2c(cc3c(c2C)OC(=Cc2ccccc2F)C3=O)C1 2322318064 DUWUXTDJMQTSMP-UHFFFAOYSA-N 431.463 5.111 30 10 IKEE Cc1c(OC(=O)c2ccccc2)ccc2c1OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2322662835 GIWHBVRNRGAWOJ-UHFFFAOYSA-N 425.267 6.137 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(C(C)C)cc2)c1OCc1ccc(F)cc1 2322736521 OFZIMRZVOBPIBL-UHFFFAOYSA-N 438.926 7.086 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1cc(Br)ccc1OCCCO 2322927091 ANEFGBWBLRWLKR-UHFFFAOYSA-N 439.733 5.077 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2ccccc2OCc2ccccc2F)cc1Cl 2322969276 NLNNMSVUAVPBOS-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE COc1cccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)c1OCc1ccc(C)cc1 2322969312 ZMQSPWUNDFMIBI-UHFFFAOYSA-N 428.572 7.085 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccccc1OCc1ccc(Cl)cc1Cl 2323022177 JGHWXZTUTCSXQJ-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE CCOC(=O)c1ccc(COc2cc(C=CC(=O)c3ccc(F)c(C)c3)ccc2OC)o1 2323168741 YCMBQYLLRIXNBP-UHFFFAOYSA-N 438.451 5.388 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)cc1C 2323247433 XJNMJGNEIZHWEF-UHFFFAOYSA-N 426.512 6.436 30 10 IKEE COc1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2323424051 MUXFHNPBACMDJN-UHFFFAOYSA-N 446.886 5.892 30 10 IKEE CCOc1cc(C=NS(=O)(=O)c2cccs2)ccc1OCc1cccc(Cl)c1 2323438048 KZRWSOIBAXARLZ-UHFFFAOYSA-N 435.954 5.187 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 2323693752 SWACLFFOFGLZFW-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Cl)c1OCc1cc(C)ccc1C 2323758647 VAEFTVIUWHWSOI-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc3ccccc23)c(Cl)c1)c1cccc(Cl)c1 2323766465 BXJRQHFXWBMVBK-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)cc1 2323827193 FPDXXSHVWQPKLS-UHFFFAOYSA-N 440.898 6.362 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 2323987376 WUNHEGOZRDYSQA-UHFFFAOYSA-N 440.898 6.280 30 10 IKEE Cc1cc(O)c(CN2CCC[C@H](C)C2)c2c1C(=O)C(=Cc1ccccc1Br)O2 2324066486 QUZDUBIRRWOKAQ-AWEZNQCLSA-N 442.353 5.311 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OCC(=O)Nc1ccccc1 2324175900 OKETWNYHMRSBRX-UHFFFAOYSA-N 429.516 5.732 30 10 IKEE C=C(C)COc1c(Cl)cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc1OCC 2324221008 GHPZKNIMQYBJSI-UHFFFAOYSA-N 442.983 6.896 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccccc2F)C3=O)cc1 2324451864 MAQHDZKUDWHDNU-INIZCTEOSA-N 447.462 5.165 30 10 IKEE CCN(CC)C(=O)COc1c(Cl)cc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OC 2324545490 RQESMFGXNOLRFQ-UHFFFAOYSA-N 443.971 5.417 30 10 IKEE Cc1cccc(OCCCCOc2ccc3c(c2C)OC(=CC=Cc2ccccc2)C3=O)c1 2324574206 ZZHHFBATYAOFIH-UHFFFAOYSA-N 440.539 6.714 30 10 IKEE Cc1cc(OCCOc2ccc(C(C)(C)C)cc2)cc2c1C(=O)C(=Cc1cccs1)O2 2324688316 SSRFNDRHBZZNSA-UHFFFAOYSA-N 434.557 6.428 30 10 IKEE O=C1C(=Cc2cccc(Cl)c2)Oc2cc(OCCOc3cccc4ccccc34)ccc21 2324693501 DODFUPDSAXBBPR-UHFFFAOYSA-N 442.898 6.567 30 10 IKEE Cc1cc(C)c(COc2cc(C)c3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1C 2324765361 KLIMCJHFQICEKH-UHFFFAOYSA-N 426.556 7.239 30 10 IKEE CCOc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccccc2)cc1 2325448528 VNOUGZMFOJASBA-UHFFFAOYSA-N 442.588 5.637 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1cccc(Br)c1 2325544200 IBUHVMHFPLBXRQ-UHFFFAOYSA-N 429.387 5.476 30 10 IKEE CCOc1ccc(C=CC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1OC 2325666321 LZLVYPSPDPSUAV-UHFFFAOYSA-N 428.699 5.275 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccc(F)cc3)c2)cc1 2325738657 OVISLTCDCCIFOL-UHFFFAOYSA-N 448.490 5.667 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(C)c(C)c3)c2)cc1 2325739145 FGXGADNYTNJJQO-UHFFFAOYSA-N 428.528 6.136 30 10 IKEE CCOc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc(C(C)C)cc3)c2)cc1 2325750817 XKAZJVHTSLQLHY-UHFFFAOYSA-N 444.527 6.089 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1OC(=O)[C@@H]1CCCO1 2325754446 VPCLWZYLQNGACJ-VWLOTQADSA-N 444.483 5.468 30 10 IKEE CCCOc1ccc(C=Nn2c(CC)nnc2SCc2cccc(C)c2)cc1Cl 2326379866 RYILLQOXKVQECE-UHFFFAOYSA-N 428.989 5.766 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1cccc(Cl)c1Cl 2326442756 FOKLAMURSOMVOT-UHFFFAOYSA-N 433.408 6.329 30 10 IKEE Oc1ccc(C=Nn2c(CCCOc3ccccc3)nnc2SCc2ccccc2)cc1 2328745063 YTICYQYIRWRBLW-UHFFFAOYSA-N 444.560 5.170 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3F)n2N=Cc2ccncc2)cc1C 2328791994 QQYRNFDJGPQOLH-UHFFFAOYSA-N 447.539 5.183 30 10 IKEE CCSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1ccc(Cl)cc1Cl 2328941515 UKGFIGRQMGDWII-UHFFFAOYSA-N 433.408 5.981 30 10 IKEE CCCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc(OCC)c(OC)c1 2329117919 KPRKMFWOVIIELO-UHFFFAOYSA-N 444.988 5.314 30 10 IKEE Clc1ccc(CSc2nnc(COCc3ccccc3)n2N=Cc2ccccc2)cc1 2329361023 CVUIVCJAXOVXGA-UHFFFAOYSA-N 448.979 5.823 30 10 IKEE Oc1cccc(C=Nn2c(Cc3cccs3)nnc2SCc2cccc(Cl)c2)c1 2330440103 PAOIVYFXZQCMBJ-UHFFFAOYSA-N 440.981 5.464 30 10 IKEE Clc1ccc(CSc2nnc(-c3cccs3)n2N=Cc2cccnc2)cc1Cl 2330608919 JCRIHCALVQDBDS-UHFFFAOYSA-N 446.388 5.883 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1cccnc1 2330608960 MTYCUBREHKGUBB-UHFFFAOYSA-N 449.506 6.263 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccccc3)n2N=Cc2ccc([N+](=O)[O-])cc2)c1 2330645536 LVCRELAAXMYJOF-UHFFFAOYSA-N 429.505 5.336 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(Cl)c1OC(=O)[C@H]1CCCO1 2330649188 OXDXJWHTIOBIKO-JOCHJYFZSA-N 436.891 5.482 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)C(F)(F)F)c(Br)c2)cc1 2330747655 ADMFXUISVCDECO-UHFFFAOYSA-N 427.216 5.375 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)cc2)c1 2330777247 SYMJNQKVSGPMFR-XZOQPEGZSA-N 432.903 5.954 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(OC)c2)cc(OC)c1OC(=O)CCCCCC 2330799941 VFKGHLMMNMCCQG-UHFFFAOYSA-N 436.548 6.204 30 10 IKEE C[C@@H](C(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccccc1 2330805444 PDAQSMPOPZPFGH-MRXNPFEDSA-N 425.311 6.599 30 10 IKEE C=C(C)CSc1nnc(CC(C)(C)C)n1N=Cc1cc(Br)ccc1F 2330842121 CUMJGFOTTQINBQ-UHFFFAOYSA-N 425.371 5.319 30 10 IKEE Cc1ccccc1C=Nn1c(CC(C)(C)C)nnc1SCc1cccc2ccccc12 2330862749 AWNGABYPJZQJMY-UHFFFAOYSA-N 428.605 6.503 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3ccccc3C)nnc2[C@@H]2CCCO2)cc1 2330894452 GWUGLKZIOZZUKD-QFIPXVFZSA-N 436.581 5.401 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2[C@@H]2CCCO2)cc1 2330965701 ULATUEIHOZXPSR-NRFANRHFSA-N 441.000 6.081 30 10 IKEE Fc1cccc(Cl)c1C=Nn1c(SCc2cccc(Cl)c2)nnc1C1CCCC1 2331092831 RPSIMADBGWGJPI-UHFFFAOYSA-N 449.382 6.556 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OC(=O)c1cccc(Cl)c1 2331174243 VVMMQQSIGSJOTD-UHFFFAOYSA-N 441.310 6.507 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1 2331273548 OPPSGOJDEYPDDH-UHFFFAOYSA-N 449.890 5.991 30 10 IKEE Cc1cccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2Br)c1 2331320410 KUZXLLPGRGHYRT-UHFFFAOYSA-N 449.344 6.490 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)Cc1ccccc1 2331553037 JTWYYPZFJCDHLV-UHFFFAOYSA-N 442.845 5.671 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(C)c3C)cc2)cc1OC 2331611958 IGOYLDSIYPVFAT-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE CCCOc1c(C=Nn2c(CCC)nnc2SCc2ccccc2C)cccc1OC 2331632567 LGTNHRPSQVEHFX-UHFFFAOYSA-N 438.597 5.511 30 10 IKEE CCc1ccc(C=Nn2c(SCC(=O)Nc3c(C)cccc3C)nnc2C(C)C)cc1 2331695234 BAMAFBLYZAZGHR-UHFFFAOYSA-N 435.597 5.194 30 10 IKEE Cc1ccsc1C=Nn1c(SCc2c(Cl)cccc2Cl)nnc1C(C)C 2331705256 WWLQZWGVJVDRJQ-UHFFFAOYSA-N 425.410 6.253 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)CC(C)(C)C 2331707938 AQLPAMFMUYVBHS-UHFFFAOYSA-N 428.956 6.593 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)cc(Cl)c1OC(=O)CC 2331861002 RPUGCVQXUIVSGC-UHFFFAOYSA-N 427.711 6.257 30 10 IKEE COc1cc(C=NNc2oc(Cc3cccc4ccccc34)nc2C#N)cc(Cl)c1OC 2331932598 DNNJYULENWDGGZ-UHFFFAOYSA-N 446.894 5.407 30 10 IKEE CC1(C)CCC(C=O)(Cc2ccc(I)c(Br)c2)CC1 2349917902 SJIVOEFXYAUKHM-UHFFFAOYSA-N 435.143 5.382 30 10 IKEE CC[C@H](N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363832943 XHDYRBQXBSARIX-QGDZQMKYSA-N 448.460 5.080 30 10 IKEE Cc1cc(CN(C)[C@H]2CC(C)(C)[C@H]2OCc2ccccc2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369738410 IUFZALWKVWVNLD-DQEYMECFSA-N 449.444 5.110 30 10 IKEE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc3c(c1)OCO3)C1=C(CC(C)(C)CC1=O)N2 1035419 ZSKLXMMSOGSKHI-HSZRJFAPSA-N 427.504 5.110 30 10 IKEE O=[N+]([O-])c1cc(/C=N/c2ccc3oc(-c4cc5ccccc5cc4O)nc3c2)ccc1Cl 3116199 FZZUYYFNBCGPNU-LGJNPRDNSA-N 443.846 6.666 30 10 IKEE CCCCOc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(OCCC)cc1)C2 20883028 YHULTNVRUGQGCD-NZQKXSOJSA-N 447.575 5.659 30 10 IKEE CCc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(N(C)C)cc2)cc1 21223181 QCBDJKHENAAGJV-MNNSJKJDSA-N 437.587 6.295 30 10 IKEE COc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(SC)cc1 21240279 OJWAGNAQTDWKRM-DNOBIOAJSA-N 442.584 6.397 30 10 IKEE CCOC(=O)c1ccc2c(c1)nc(SCc1ccccc1C#N)n2Cc1ccccc1 23458996 BQCJKENXRAQCKO-UHFFFAOYSA-N 427.529 5.425 30 10 IKEE COc1ccc(/C=C\c2cc(-c3cccc(F)c3)n3c(nc4ccccc43)c2C#N)cc1O 33504891 COPYYWXEMCVZRM-LUAWRHEFSA-N 435.458 6.050 30 10 IKEE CCc1ccc(Nc2sc3c(-c4ccc(C)cc4)c(C#N)c(N)nc3c2C(N)=O)cc1 39895244 PTYYXLHAEVAUHD-UHFFFAOYSA-N 427.533 5.131 30 10 IKEE C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OCCC)cc3)=C(O)C(=O)N2CCCC)c1 40078267 IZLWGHRCNYNFEW-DEOSSOPVSA-N 449.547 5.419 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1ccc(C(C)(C)C)cc1 40080176 WOHLUEADZNXWRH-QHCPKHFHSA-N 435.564 5.680 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1cccc(OC)c1 40081039 SQOXBUQMNMBILJ-QHCPKHFHSA-N 437.536 5.108 30 10 IKEE Cc1c(C(=O)Oc2cccc3ccccc23)oc2c1/C(=N/Nc1ccc(F)cc1)CCC2 40823917 AABNTCRTEQGPGW-XHLNEMQHSA-N 428.463 6.252 30 10 IKEE CCCCCCCOc1cccc(NC(=O)c2ccccc2I)c1 100245983 UZYDNEPHTGEYAW-UHFFFAOYSA-N 437.321 5.893 30 10 IKEE CCCCCCCCCCCCCCCCn1c(Cc2ccccc2)nc2ccccc21 102181916 JHVVZCQGPIXHFJ-UHFFFAOYSA-N 432.696 9.108 30 10 IKEE CC(C)c1ccc([C@H]2/C(=C(/O)c3cc4ccccc4o3)C(=O)C(=O)N2c2nccs2)cc1 102696611 JJRZHGJEUZJJCB-AGGMBTAESA-N 444.512 5.639 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2Cl)S/C(=N\c2ccccc2)N1c1ccccc1 103839824 QZFGQBJWAPWRSN-ORVWWNJKSA-N 425.340 6.802 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(OC)cc2)cc1 169923394 DYNZAROUWTYEDL-QHCPKHFHSA-N 447.918 5.694 30 10 IKEE COc1ccc(-c2csc(N/N=C\c3cccc(OCc4ccccc4)c3)n2)cc1OC 169940545 YDWSRWCMGLCESK-YSMPRRRNSA-N 445.544 5.852 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccccn2)cc1C 169991779 MXNAWIBFSLWIJH-XMMPIXPASA-N 426.516 5.605 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2cccs2)=C(N2C[C@@H](C)C[C@@H](C)C2)C1=O 170017629 GEDGGRGZLWXDFF-BGYRXZFFSA-N 430.658 5.947 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2cccs2)=C(N(C)Cc2ccccc2)C1=O 170017660 ZBBCPUNWTNMJEB-UHFFFAOYSA-N 438.637 6.101 30 10 IKEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 170054117 KZAMRAWGNPNQSQ-QHCPKHFHSA-N 447.918 5.170 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2C)c1 170086750 SJUUZEIIJMQSBP-QHCPKHFHSA-N 431.463 5.316 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(C)o1 170100304 CLIZWCGZLBBMMF-QHCPKHFHSA-N 443.455 5.121 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2OC)[C@H]1c1ccccc1OC(C)C 170150930 FFLIRFGWAPAWBN-HSZRJFAPSA-N 437.536 5.169 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cccc(OC(C)C)c1 170153067 GVIFXJRLMLOFHY-VWLOTQADSA-N 447.575 5.731 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccccc1 170227493 ZAUZYDYYYBGUJS-XMMPIXPASA-N 443.499 5.265 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccccc2)cc1Cl 170228434 CDGBEMHSXBMRBB-QFIPXVFZSA-N 444.874 5.003 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccccc1 170230564 WUIXAVYGMMDELB-FQEVSTJZSA-N 437.879 5.029 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 170235188 IOLQWYBNEMIDLO-HXUWFJFHSA-N 434.835 5.031 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1F)c1ccc2c(c1)CCCO2 170248306 RDNUFCWHLAUXTA-HSZRJFAPSA-N 447.437 5.073 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1F 170249786 PQZSIAPQXCINGM-VWLOTQADSA-N 437.470 6.070 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCCOC)cc1 170266980 NPEJRQLABKYPIY-XMMPIXPASA-N 429.516 5.017 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccco1 170279900 QBBWRCDELGUKLD-GOSISDBHSA-N 443.908 5.090 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(C)o2)c1 170300508 UAAKAADXROHAQD-HJPURHCSSA-N 429.472 5.003 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(OC(C)=O)cc2)cc1 170406907 LDGSHGJTBSLYOR-JOCHJYFZSA-N 447.512 5.019 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)ccc2C)cc1 170453346 HHMRLYMNMMDLML-XMMPIXPASA-N 444.531 5.526 30 10 IKEE CCCCC1CCC(C(=O)Nc2c(C#N)cnn2-c2cc(C)c3cc(C)cc(C)c3n2)CC1 170508786 ARBYFXLORGGQKI-UHFFFAOYSA-N 443.595 6.153 30 10 IKEE CCN1C(=O)/C(=C2/Sc3ccccc3N2C)SC1=Nc1c(O)ccc2ccccc12 252608155 HHKCIZKVWZREIN-JSYGVCDLSA-N 433.558 5.539 30 10 IKEE CC(C)(C)c1ccc(-c2nc3cc(N=C/C=C\c4cccc([N+](=O)[O-])c4)ccc3o2)cc1 252631407 VKSDRAQNEXCQDF-CXIRDOBYSA-N 425.488 7.116 30 10 IKEE CCOc1ccccc1NC(=O)c1c(N=Cc2sccc2C)sc2c1CCCCC2 254395870 BRUXYNJBJZBKEK-UHFFFAOYSA-N 438.618 6.789 30 10 IKEE CCCCCCCOc1ccc(C=NNC(=S)NCc2ccc(OCC)cc2)cc1 254700223 JTXYZNZWIYQPGD-UHFFFAOYSA-N 427.614 5.433 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(Cl)cc2)cc1 526486024 HSUYTYLMBKPHDM-DEOSSOPVSA-N 444.918 6.058 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(OCC)cc2)cc1 526515326 JFPGAPCCHRXRMG-RUZDIDTESA-N 440.499 5.413 30 10 IKEE CCOc1ccc(/C=N\n2c(CC)nnc2SCc2cccc(Cl)c2)cc1Cl 526811346 IIQFTLNJJJTCPR-FMCGGJTJSA-N 435.380 5.721 30 10 IKEE FC(F)(F)c1ccccc1/C=N\n1cnnc1SCc1ccc(Cl)c(Cl)c1 526812752 KGMWKHQTSNTQSR-GYRAYZOKSA-N 431.270 5.778 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccc(OC)cc1OC 526812953 SPEQHGCRWJUHTG-OYKKKHCWSA-N 444.988 5.466 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccccc1C(=O)O 526816892 KSBMEAWSWZMVJO-QRVIBDJDSA-N 428.945 5.147 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1ccc(C(F)(F)F)cc1 526819581 YPEPEFWVQQXXCO-VYYCAZPPSA-N 446.542 6.431 30 10 IKEE CC(C)Oc1ccc(/C=N\n2cnnc2SCc2cccc3ccccc23)cc1Cl 526819992 HDHVJZNNEHMXOV-ZMFRSBBQSA-N 436.968 6.046 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1cccc(OCC)c1O 526821222 HPYPFTYJSRZZGE-QQXSKIMKSA-N 446.576 5.663 30 10 IKEE COc1cc(/C=N\n2c(C)nnc2SCc2cccc3ccccc23)cc(Cl)c1O 526821430 SELZBAMQISRQTE-MSXFZWOLSA-N 438.940 5.282 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(Cc2cccnc2)Cc2cccc(C#N)c2)cc1 586180052 MJGSNMNQVHPVIL-UHFFFAOYSA-N 447.604 5.467 30 10 IKEE CC(C)Oc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2ccc(C(C)C)cc2)cc1 586260781 YFCNTGIQQZVUDT-UHFFFAOYSA-N 448.588 5.864 30 10 IKEE CCc1ccc(S(=O)(=O)N(C(=O)c2cccc(C#N)c2)c2cccc3ccccc23)cc1 586264190 LARIBBMWKQRFCD-UHFFFAOYSA-N 440.524 5.310 30 10 IKEE CC(C)(C)OC(=O)N1CCC([C@](C)(C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)CC1 698347711 DPXLMKQGVGLCMD-DEOSSOPVSA-N 435.609 5.486 30 10 IKEE COc1ccc(Br)c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(C)cc2)c1 698905128 SNFOUSRLDRHMOT-LJQANCHMSA-N 431.330 5.773 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2cccc(OCc3ccccc3)c2)cc1 698977142 FEFMURLXWYIFEA-RUZDIDTESA-N 444.531 6.281 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2nc(C)c(Br)s2)c1 719320922 AWIPPKUAXQXVSB-CQSZACIVSA-N 438.347 5.229 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 724025787 FIALLPDXEVPKFZ-OSPHWJPCSA-N 445.560 5.166 30 10 IKEE Cc1cccc(CSc2nc3ccc(N=Cc4c(F)cccc4Cl)cc3s2)c1 1084184822 UEGVINQVIDGUHS-UHFFFAOYSA-N 426.969 7.440 30 10 IKEE O=C1C(=NN(c2ccccc2)c2ccccc2)c2ccccc2N1CCOc1ccccc1 1084209156 VGZDUAMWUORVFF-UHFFFAOYSA-N 433.511 5.655 30 10 IKEE CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)S2)cc1 1084229836 IAHWVOBUSGPSPC-HYARGMPZSA-N 435.524 5.524 30 10 IKEE COc1ccc([N+](=O)[O-])cc1N=Cc1cc(C)n(-c2ccc(C(=O)O)c(Cl)c2)c1C 1084296088 FFVJOLBTPSXEQL-UHFFFAOYSA-N 427.844 5.113 30 10 IKEE CC(C)CC/N=C(/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@H]1CCCC[C@@H]1N 1088684424 VMNBLSFUYVDQQA-IRXDYDNUSA-N 438.460 5.398 30 10 IKEE C=CCCC(C)(C)NC(=O)CSCc1nc(O)c2c(-c3ccccc3)csc2n1 1529881814 GHUVTCHLEDCNOB-UHFFFAOYSA-N 427.595 5.158 30 10 IKEE C=CCN(Cc1ccccc1)c1nnc(C(C)(C)C)n1Cc1ccnc(OCC2CC2)c1 1595108866 MXSYMXYXCUXYHK-UHFFFAOYSA-N 431.584 5.000 30 10 IKEE CC(=C\c1ccccc1)/C=C1/S/C(=N/N=C/c2ccccc2)N(Cc2ccco2)C1=O 1615300617 VCKJKVIAIPWHTM-DQOZDRGWSA-N 427.529 5.733 30 10 IKEE Oc1c(Cl)cc(Cl)cc1/C=N/C[C@H]1CCC[C@H]1/N=C/c1cc(Cl)cc(Cl)c1 1615949049 KSQUOYXSJBOHQJ-WDPHVJBISA-N 444.189 6.713 30 10 IKEE CN1C(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)SC1=Nc1ccccn1 1772730535 LCKKURUKPNPKAU-QNPCYTEQSA-N 435.936 5.548 30 10 IKEE Cc1cccc(-n2cc(/C=N\NC(=S)Nc3ccc(C)c(C)c3)c(-c3ccccc3)n2)c1 1857808561 DEVDLGAVYVCDLZ-YUMHPJSZSA-N 439.588 5.785 30 10 IKEE COc1ccccc1C(=O)Nc1cccc2c(OC(=O)Nc3ccccc3C#N)cccc12 1858769963 USSJYGUZGZXDOH-UHFFFAOYSA-N 437.455 5.583 30 10 IKEE CCOc1ccc2c(=O)c(-c3ccccc3)c(C(=O)Nc3sc(C)c(C)c3C#N)oc2c1 1859760326 IDWWFBVYFBXGBM-UHFFFAOYSA-N 444.512 5.661 30 10 IKEE COc1ccc(-c2csc(SCC(=O)Nc3sc4c(c3C#N)CCC4)n2)c(C)c1 1860818534 VDAPWLPSXJFLTC-UHFFFAOYSA-N 441.603 5.280 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1861021567 GTOWFUHQPXRKOR-LJQANCHMSA-N 439.984 5.404 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(O)cc1)c1ccc(Cl)cc1Cl 1862383863 XUMAQIZZWOWNOX-LJQANCHMSA-N 432.303 5.220 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(F)cc2)cc1C 1862402153 RSXCVJFWSSWQMK-QHCPKHFHSA-N 437.511 5.444 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2Cl)[C@H]1c1ccccc1)c1ccccc1Cl 1862429896 XGLZBRYWBIHSCE-NRFANRHFSA-N 438.310 5.772 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(C)cc1 1862441698 MEDNWSRGXQJSCU-HSZRJFAPSA-N 439.983 6.587 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862477788 RPHFAQUCARWBLH-VXWZWFMZSA-N 428.532 5.633 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2cccc(Cl)c2)c1 1862491718 ZINHXQPOJJEGJZ-MHECFPHRSA-N 445.946 6.296 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCCC)cc1 1862496233 GAWBAWMGFGOBTF-XMMPIXPASA-N 435.564 5.861 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(O)c(OC)c2)cc1 1862530938 BFBNIUQKJMZTAD-DEOSSOPVSA-N 449.547 5.264 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1cccc(O)c1)c1ccc2c(c1)CCCC2 1862544599 HENXVJBTFXVESN-VWLOTQADSA-N 445.559 5.572 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1ccc(C(C)C)cc1 1862572554 ITFWIJUGYRYHFZ-QMHKHESXSA-N 437.536 5.204 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc2cc[nH]c2c1 1862584406 YBIHDZVBFDARBX-FQEVSTJZSA-N 443.330 5.709 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1cccc(F)c1 1862617746 XWXBYVQLJNBARN-JOCHJYFZSA-N 439.527 5.127 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccc(O)cc2)cc1 1862650241 QWGOKYLFWOPDCY-SANMLTNESA-N 449.506 5.632 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC(C)C)cc1 1862680289 XRBVBJMTUXSIGX-QHCPKHFHSA-N 439.527 5.629 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccc(O)cc2)cc1 1862688654 YJTZAOQDMKXFEI-HSZRJFAPSA-N 435.520 5.092 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(O)cc1 1862724091 IYRNQMQXJFVSAE-XMMPIXPASA-N 427.500 5.438 30 10 IKEE CC(C)(C)c1ccccc1NC1=C(c2ccc(F)cc2)C(=O)N(c2ccccc2C#N)C1=O 1862776957 OOHYJFGAIZUEDE-UHFFFAOYSA-N 439.490 5.391 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3OC(C)C)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862897400 LNQUSKRRXGXZRC-UHFFFAOYSA-N 437.499 5.051 30 10 IKEE CCCCCCCCNC1=C(c2ccc(Cl)cc2)C(=O)N(Cc2ccc(C)cc2)C1=O 1863529469 WOMREZQAGWJMSX-UHFFFAOYSA-N 438.999 5.879 30 10 IKEE CCCCCCCCNC1=C(c2ccc(Cl)cc2)C(=O)N(CCCOC(C)C)C1=O 1863531446 WTNCTKGKQIBCAS-UHFFFAOYSA-N 435.008 5.185 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2Cl)C(=O)N(Cc2ccc(F)cc2)C1=O 1863776259 ZZBGMAIQFRYXQR-UHFFFAOYSA-N 442.962 5.709 30 10 IKEE C=CCOc1ccccc1/C=C1/C(=O)N(c2ccccc2Cl)N=C1c1ccc(OC)cc1 1865666801 SQSLQXCGFQMGPI-HEHNFIMWSA-N 444.918 5.748 30 10 IKEE CN(CC(C)(C)c1ccccc1)c1cc(Nc2ccccc2C#N)nc(-c2cccnc2)n1 1868573316 SDPUMELDTSNJRP-UHFFFAOYSA-N 434.547 5.568 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2C)c(CSc2ccccc2)cc1=O 1870251692 QNGZQSDMTQYSNF-UHFFFAOYSA-N 435.633 6.847 30 10 IKEE CCCCCCCOc1cn(CCCC)c(CNc2cccc(NC(C)=O)c2)cc1=O 1870831501 AXDXSRBITFDLDM-UHFFFAOYSA-N 427.589 5.568 30 10 IKEE C=CCn1cc(OCC(=O)OCCCCCC)c(=O)cc1CNc1ccc(Cl)c(C)c1 1870839916 FMWWSKNOQFYUJJ-UHFFFAOYSA-N 446.975 5.111 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)cc2Cl)c(=O)cc1CNc1ccccc1CC 1871250188 RTQLJPMUWPGIAB-UHFFFAOYSA-N 443.374 6.095 30 10 IKEE Cc1cc(OC(=O)/C=C/c2cccs2)cc2c1C(=O)/C(=C/c1cn(C)c3ccccc13)O2 1871381497 XXCIGDMHAFQOQS-NFVZFISFSA-N 441.508 5.783 30 10 IKEE CCCCOC(=O)COc1ccc2c(c1C)O/C(=C\c1c(Cl)cccc1Cl)C2=O 1871400125 JTBWVQDWTVYPIN-ODLFYWEKSA-N 435.303 5.640 30 10 IKEE COc1ccc(OCCOc2ccc3c(c2C)O/C(=C\c2ccc(N(C)C)cc2)C3=O)cc1 1871415267 YPFXFPSVLLVUJU-UQQQWYQISA-N 445.515 5.144 30 10 IKEE CCOc1ccccc1Oc1c(C)oc2cc(OCc3ccc(C#N)cc3)ccc2c1=O 1871417277 GFVPXZVAKAYAEX-UHFFFAOYSA-N 427.456 5.743 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4nc5ccccc5s4)ccc3C2=O)o1 1871440075 XEZVDVZHJCSSKL-GQFJFNLSSA-N 446.484 5.220 30 10 IKEE C=CCN(CC=C)c1nc(=NCCCCCCCC)[nH]c(=Nc2ccc(C)c(Cl)c2)[nH]1 1871490351 LCXSZYRPANVLEW-UHFFFAOYSA-N 443.039 5.372 30 10 IKEE COc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)c(OC)c1 1872760242 KKKITRUANCCGRC-YUAYGMJFSA-N 444.556 5.596 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)cc1C(C)C 1872780074 ZBHNDXPFPIMRHL-LJQANCHMSA-N 449.532 5.957 30 10 IKEE Cc1cc(C)c(-c2csc([C@@H](C#N)C(=O)COc3ccc(C)cc3C(C)(C)C)n2)c(C)c1 1872786234 FPMGZNVRUABVKF-FQEVSTJZSA-N 446.616 6.597 30 10 IKEE C=CCc1ccccc1OCc1ccc(C(=O)Nc2cccc(OCc3ccccc3)c2)cc1 1872859136 HFARYJLHFOISFS-UHFFFAOYSA-N 449.550 6.825 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2F)C(=O)N(C2CCCCCC2)C1=O 1873030085 XTQXQZNTAOADHV-UHFFFAOYSA-N 442.619 6.359 30 10 IKEE CCCCCCCCN1C(=O)C(NC2CCCCC2)=C(c2cc(F)c(F)cc2F)C1=O 1873059313 FSHSJJNJBXDGJN-UHFFFAOYSA-N 436.518 5.467 30 10 IKEE CCCCCCCCCCNC1=C(c2cccnc2)C(=O)N([C@@H]2CCCC[C@H]2C)C1=O 1873076896 ITDNYIAYDWMOPU-IFMALSPDSA-N 425.617 5.471 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(Cl)c2Cl)=C(c2cccnc2)C1=O 1873269201 OWFQHCIUQOSQDB-UHFFFAOYSA-N 446.378 5.941 30 10 IKEE C=CCN1C(=O)C(Nc2cc(Cl)ccc2OC)=C(c2cccc(Cl)c2Cl)C1=O 1873341799 RIQQJEXHAHOZTB-UHFFFAOYSA-N 437.710 5.033 30 10 IKEE CCCCCCCCCCNC(=O)c1cc2c(N3CCc4ccccc4C3)ncnc2n1C 1873568339 KHUGXEAYIBDQKM-UHFFFAOYSA-N 447.627 5.402 30 10 IKEE C=CCn1c(C(=O)Nc2cc(C)cc(C)c2)cc2c(NCCc3ccc(C)cc3)ncnc21 1873616830 KBYOXZGPZYYJOP-UHFFFAOYSA-N 439.563 5.449 30 10 IKEE COc1ccc(/C=N/Nc2ccnc(Cl)n2)cc1OCc1ccc(Cl)cc1Cl 1873792588 GRECKJKLHRFPIT-YSURURNPSA-N 437.714 5.470 30 10 IKEE C=CCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccccn1 1874193880 MTCHRFZMPCSJNR-MFKUBSTISA-N 441.988 5.115 30 10 IKEE CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874216735 CAWIPXSLUKGVRJ-SSDVNMTOSA-N 445.932 5.030 30 10 IKEE CCCOc1ccc(/C=N/n2c(Cc3ccc(Cl)cc3)nnc2SCCC)cc1 1874342876 NIQNRZSPBOANOY-LFVJCYFKSA-N 428.989 5.695 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccc(C)cc3)n2/N=C/c2sccc2C)cc1 1874347780 GCBLGBHPCQBETN-MFKUBSTISA-N 448.617 5.730 30 10 IKEE COc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2cccc(C)c2)cc1 1874351881 JGEHAZVUWZGOKQ-ZXVVBBHZSA-N 442.588 5.403 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccccc3Cl)n2/N=C/c2ccccc2O)c1 1874366425 VIPSQLQXKPDCJF-AFUMVMLFSA-N 434.952 5.787 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(CCc3cccs3)nnc2SCc2ccccc2C)c1 1874368679 NKAQQXADXOAMHP-MFKUBSTISA-N 448.617 5.622 30 10 IKEE Fc1ccc(Cc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccccc2F)cc1 1874377608 FISNCBHRIKWUBY-MZJWZYIUSA-N 438.478 5.461 30 10 IKEE CN(C)c1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2)cc1 1874379595 AYJKSOOYSHOKIR-WPWMEQJKSA-N 445.567 5.249 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccccc3)n2/N=C/c2ccccc2C)c1 1874383637 FERATCSAJSQNRI-WGOQTCKBSA-N 428.561 5.648 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2cccs2)n1/N=C/c1ccc(C(=O)O)cc1 1874410968 PSZXHJDHSAUSOX-ZVHZXABRSA-N 448.573 5.112 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2cc(C)ccc2O)cc1 1874415468 RFRDSUFSQNWZIF-WGOQTCKBSA-N 428.561 5.366 30 10 IKEE Fc1cccc(/C=N/n2c(SCc3ccccc3Cl)nnc2-c2cccs2)c1 1874422394 JUCOUYNKQMNHIR-FSJBWODESA-N 428.945 5.974 30 10 IKEE Cc1ccccc1CSc1nnc(C(C)(C)C)n1/N=C/c1ccc(Cl)cc1Cl 1874483246 LNPCQFWOZUPIBP-WYMPLXKRSA-N 433.408 6.365 30 10 IKEE COCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc(Cl)cc1Cl 1874503130 RTXUTBPZCPDIQB-LSFURLLWSA-N 441.771 5.559 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1cn(C)c2ccccc12 1874509386 AEDJJYGFSFMTQN-BRJLIKDPSA-N 441.963 5.689 30 10 IKEE CC(C)c1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874514448 YGGJDDYARPFMLS-MFKUBSTISA-N 441.645 5.122 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1cn(C)c2ccccc12 1874526082 POWBLSHEMPLWGT-BHGWPJFGSA-N 444.391 5.814 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1cccc(OC)c1 1874572454 OEGBGBWNACKOGL-CCEZHUSRSA-N 445.559 5.772 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(C)cc2C)c(C)c1 1874579013 SEUQRQFFQZXVEM-YRNVUSSQSA-N 447.962 6.487 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1F 1874597552 SMMBAEZGMFSCOF-WEVVVXLNSA-N 431.290 6.616 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1OCCc1ccccc1 1874606246 DOKVGEOPTJFXLS-XYOKQWHBSA-N 441.354 6.910 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OCC(=O)Nc1cccc(C)c1C 1874611948 YTDPBZUMJMAQHV-WYMLVPIESA-N 445.515 5.234 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1F 1874623556 IWPWDKTUIIJRGC-IZZDOVSWSA-N 449.478 5.065 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(OC)c1OCc1ccccc1C 1874624295 VSUXZNVPIORYHZ-XNTDXEJSSA-N 430.544 6.611 30 10 IKEE C=C(C)COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1Br 1874637485 BYCOFZZTYSDFDV-XVNBXDOJSA-N 426.137 6.607 30 10 IKEE CCc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc(OC)c(C)c3)ccc2OC)cc1 1874696440 WGOAQSSEVQGWND-MDWZMJQESA-N 430.500 5.690 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2)cc1OC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 1874700223 HNUOJRUQPCPQDJ-YRNVUSSQSA-N 437.835 5.372 30 10 IKEE CCOc1ccc(CC(=O)Oc2cc(/C=C/C(=O)c3ccc(C)cc3C)ccc2OC)cc1 1874701391 QJNWHYVUXUTRGJ-NTEUORMPSA-N 444.527 5.755 30 10 IKEE Cc1cccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3cccc4ccccc34)c2)c1C 1874708084 LQGXLRCMWSONRF-WUKNDPDISA-N 436.507 6.337 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2cccc(/C=C/C(=O)c3c(C)cc(C)cc3C)c2)cc1 1874716161 DVIJKISOQBTCLL-NTCAYCPXSA-N 442.555 6.581 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cccc(Cl)c3)c2)c2ccccc12 1874718768 VZKMOPKVHRFVNS-WYMLVPIESA-N 442.898 6.617 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C2CCCC2)c(Br)c1)c1cccc([N+](=O)[O-])c1 1875088257 RNMKURANHFGJAA-CSKARUKUSA-N 444.281 5.349 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C(F)(F)F)c(Br)c1)c1cccc(Cl)c1 1875121125 AGXISJJWUNXFIP-GQCTYLIASA-N 433.607 5.466 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)c1cnccn1 1875126699 UQQAVQCNDGCUNC-FPYGCLRLSA-N 443.286 5.297 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3)c(Br)c2)cc1 1875133075 CTAMKMLJNUNYMX-UUILKARUSA-N 439.280 6.012 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OC 1875133805 CTWZRFUYRYRQQB-GXDHUFHOSA-N 444.527 5.755 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)COc1ccc(C)c(C)c1 1875136565 QADRMRFLEZXLQV-MDWZMJQESA-N 430.500 5.501 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1ccc(N(C)C)cc1 1875163528 PEMGKGXNBQDVJG-UUILKARUSA-N 437.442 5.155 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc(OC)c1OC(=O)COC 1875190363 GXPDLWWCNYCXEI-RMKNXTFCSA-N 435.303 5.178 30 10 IKEE CC(C)(C)OC(=O)N1CC(C)(C)[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C1 1975904056 KJYYFHASPBEXST-JOCHJYFZSA-N 435.590 5.024 30 10 IKEE C=C([C@@H](NCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)C(C)(C)C 1997461933 PSCBBDAWCUGMBM-ATIYNZHBSA-N 430.633 5.411 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2C[C@](C#N)(N(C(=O)OC(C)(C)C)C3CCCCC3)CC[C@@H]21 2027455720 CXDXNRQMWRHHJK-KNOQFWTLSA-N 447.620 5.628 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(C)sc(C)c1Br 2028858515 RUPCOQWHYWXRCZ-WMLDXEAASA-N 429.424 5.085 30 10 IKEE COc1cccc(NC=Cc2nc3c(c(-c4ccccc4F)c2C#N)C(=O)c2ccccc2-3)c1 2040750528 XMJADWCYIUFSKA-UHFFFAOYSA-N 447.469 6.062 30 10 IKEE COCCN1C(=O)C(=Cc2ccc(Br)cc2)SC1=Nc1ccc(C)cc1 2053623042 BNHNQJQYYIGJPI-UHFFFAOYSA-N 431.355 5.008 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)c1 2066218166 ICRDMPREWMSVPK-HOYKHHGWSA-N 445.560 5.022 30 10 IKEE Cc1ccc([C@@H](C2CCC2)n2nc(C3CCC3)c(C#N)c2I)c(F)c1 2079079182 QNRJBCVSKIAJGF-LJQANCHMSA-N 449.311 5.464 30 10 IKEE COc1ccc([C@@H](n2nc(C(C)(C)C)c(C=NO)c2Br)C(C)(C)C)c(O)c1 2079848737 MHBVOPAQNYNORD-QGZVFWFLSA-N 438.366 5.101 30 10 IKEE CC(C)Oc1ccc([C@@H](n2nc(C3CCC3)c(C=NO)c2Br)C(C)(C)C)cc1 2080127241 SFSUSMXGGCBBON-HXUWFJFHSA-N 448.405 6.144 30 10 IKEE CC(C)c1cc(C(F)(F)F)ccc1-c1c(C2CCCCC2)nn2c(Cl)c(C#N)cnc12 2081472037 IYZISJXQPGRPOV-UHFFFAOYSA-N 446.904 7.111 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@H](O)c1ccc(Br)c(Cl)c1F 2098124717 XULCOLZWJSSPJX-WOJBJXKFSA-N 442.756 5.026 30 10 IKEE C=CCN(CC[C@@H](Cc1ccc(Cl)cc1Br)NCC)C(=O)OC(C)(C)C 2099292241 GRQSTOKPNHRSOE-KRWDZBQOSA-N 445.829 5.436 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)c(Br)c1F)NC 2110506910 NWDTUBYUVNFPTA-LSDHHAIUSA-N 449.792 5.232 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1ncoc1C(F)F 2111568663 WDJAOQRGICFVCM-GFCCVEGCSA-N 428.233 5.381 30 10 IKEE C=CCCCCCCCCNc1ccc(Br)c(I)c1 2142451867 ASVBPPRKUBVKHZ-UHFFFAOYSA-N 436.175 6.382 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCC)c2cc(C)c(Br)cc2C)C1 2201070182 FPEBNTBDQNQRDR-IBGZPJMESA-N 437.422 5.578 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CCC[C@H](NC(=O)OC(C)(C)C)C(C)C)NCCC 2214445308 YICCRRFHBQZKMB-BJKOFHAPSA-N 432.649 5.847 30 10 IKEE CC(C)(C)OC(=O)N[C@H](C[C@H](O)C#Cc1ccccc1Br)C1CCCCC1 2235740220 NJSQZSYMOWTXEL-UYAOXDASSA-N 436.390 5.025 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCC(=O)O)c1cc(Br)c(Cl)s1 2251939271 XNUIVKXKJXBKIQ-INIZCTEOSA-N 431.735 5.079 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)c1cccc(NC(=O)OC(C)(C)C)c1 2262200534 SALVAUJMOGYGQI-QHCPKHFHSA-N 441.524 5.339 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](N)c1cc(Br)cc(C(C)(C)C)c1 2273003718 SINWFJHRCBKJAF-ZWKOTPCHSA-N 425.411 5.606 30 10 IKEE CN[C@H](C#Cc1ccccc1F)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2281362570 HYRXHWSRHBVTNO-LJQANCHMSA-N 433.321 5.247 30 10 IKEE Clc1ccc(C=CC=Nc2ccc3oc(-c4ccccc4Br)nc3c2)cc1 2293674589 QLFZTTVZCORTTE-UHFFFAOYSA-N 437.724 7.326 30 10 IKEE CN(C(=O)OC(C)(C)C)C1(CC(=O)C#Cc2ccc(Br)cc2)CCCCC1 2296226852 JUSQPFROBASUIA-UHFFFAOYSA-N 434.374 5.330 30 10 IKEE CCOc1ccc(N(C=C2Sc3ccccc3C2=O)C(=O)c2cccc(Cl)c2)cc1 2296681296 OVPWZDQFPBJOOV-UHFFFAOYSA-N 435.932 6.216 30 10 IKEE O=C1C(=Cc2cc(Cl)cc3c2OCOC3)Oc2cc(OCc3ccccc3F)ccc21 2296871338 OJVRAVBIALOSCX-UHFFFAOYSA-N 438.838 5.541 30 10 IKEE O=C1C(=Cc2ccc(O)c(O)c2)SC(=Nc2ccncc2Cl)N1C1CCCCC1 2314541867 CRXCEPCRZPLFNR-UHFFFAOYSA-N 429.929 5.083 30 10 IKEE CC[C@@]1(C)N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(C)c1 2315232209 SIOLMDNQACPBQZ-JWQCQUIFSA-N 443.588 5.808 30 10 IKEE CC(C)Cc1nnc(S)n1N=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2321898933 QVTKGKPGUNWFII-UHFFFAOYSA-N 435.380 5.533 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccccc2Cl)c1OCc1ccc(C)cc1 2322436824 KMAYTYUMEHTWRA-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE COc1cccc(C=CC(=O)c2cccc(Br)c2)c1OCc1ccc(F)cc1 2322466234 BZWCSAWUZYTMPJ-UHFFFAOYSA-N 441.296 6.072 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2cccc3ccccc23)cc1 2322565302 ZBCLPQSZKSTUQT-UHFFFAOYSA-N 438.523 6.722 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C)cc2C)c1OCC(=O)Nc1ccccc1F 2322579817 MGOGBFJUGIMZIB-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2c(OCc3ccccc3C)ccc3ccccc23)c1 2322659975 NPJHMYGOHQBLOY-UHFFFAOYSA-N 438.523 6.641 30 10 IKEE C=CCOc1ccc(Br)cc1C=CC(=O)c1ccc(OCC)cc1OCC 2322910821 MVTZIXUETDRCRO-UHFFFAOYSA-N 431.326 5.707 30 10 IKEE Cc1c(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc2c1OC(=Cc1ccccc1)C2=O 2323232271 WLADKJFBPJIRHE-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE CCCCCCCCCOc1ccc(C=Nn2c(S)nnc2[C@@H]2CCCO2)cc1OC 2323533193 XKGPUTOWMNGLRJ-FQEVSTJZSA-N 446.617 5.439 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccnc2)C3=O)c(OCC)c1 2323790155 PDYCPINJBHVORF-UHFFFAOYSA-N 445.471 5.023 30 10 IKEE C=CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(OC)c2)C3=O)c1 2323854761 XQEWYVJHLVEMLT-UHFFFAOYSA-N 442.467 5.404 30 10 IKEE COc1ccc(C=NNc2nc(-c3cccs3)cs2)cc1OCc1ccc(C)cc1 2323858301 DJIKJRQLGFURHI-UHFFFAOYSA-N 435.574 6.214 30 10 IKEE O=C1C(=Cc2cccc(Br)c2)Oc2c1ccc(O)c2CN1CCCCCC1 2324069924 TYNWMKVSURVRHA-UHFFFAOYSA-N 428.326 5.147 30 10 IKEE C=C(C)COc1c(Cl)cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1OC 2324280919 XAMBZCOKOOOZBJ-UHFFFAOYSA-N 434.919 6.992 30 10 IKEE Cc1c(Cl)cccc1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1cccs1)C2=O 2324430098 HFYKPEIYXXNHGE-AWEZNQCLSA-N 439.920 5.732 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)ccc1OCC(=O)OCC(C)C 2324670460 YCAIQKIDSOKYIV-UHFFFAOYSA-N 437.319 5.476 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OCc4cccc(Oc5ccccc5)c4)c3C)C2=O)c1 2325351184 KAYLNVKQNFVNBB-UHFFFAOYSA-N 448.518 7.291 30 10 IKEE Cc1cccc(C=Nn2c(Cc3ccccc3)nnc2SCc2cccc(Cl)c2)c1 2325494794 ZDFAVXNDFWDUMD-UHFFFAOYSA-N 432.980 6.005 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1OC(=O)CCCSC 2325669023 LONWOFKGEMDPLU-UHFFFAOYSA-N 446.568 6.307 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1OC(=O)c1ccc(C)cc1 2325700990 XLTDLHZALMSOLO-UHFFFAOYSA-N 426.512 5.998 30 10 IKEE CCN(CC)CCOc1cc(C)c2c(c1)OC(=Cc1cccc(Br)c1)C2=O 2325703412 ZJQFEHPIXVOQBQ-UHFFFAOYSA-N 430.342 5.094 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4cccc5ccccc45)cc(C)c3C2=O)cc1 2325707103 DUVPWZIQAGNBAN-UHFFFAOYSA-N 449.506 6.090 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccc(Cl)cc3C)ccc2C1=O 2325716203 CQLAXYACOIBTOU-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE COc1ccc(CCC(=O)Oc2cc(C=CC(=O)c3ccc(OC)cc3)ccc2OC)cc1 2325718525 SMUOQASLTLBYJY-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OC(=O)c1ccccc1[N+](=O)[O-] 2325741578 SUHNVQYQVBROQJ-UHFFFAOYSA-N 435.407 5.166 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)c3c(OC)cccc3OC)c2)cc1C 2325770928 DCJGXXVJZOMFGJ-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1ccccc1F 2325909934 DUZCZRZNVFBWTF-UHFFFAOYSA-N 437.327 5.463 30 10 IKEE COc1ccc(C=Nn2cnnc2SCc2ccc(C(C)(C)C)cc2)cc1OC(C)C 2326315485 ISTCHLRHGZEJDU-UHFFFAOYSA-N 438.597 5.546 30 10 IKEE Cc1cccc(C)c1OCCCc1nnc(SCc2ccccc2)n1N=Cc1ccco1 2326389259 GKUKNLDWJFOWJX-UHFFFAOYSA-N 446.576 5.674 30 10 IKEE Cc1ccc(COc2ccccc2C=Nn2cnnc2SCc2cccc(Cl)c2)cc1 2326461104 JBDNPUVBWZTPEZ-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE CCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1ccc(OCC)c(Cl)c1 2326681230 XTAUKSOEELZSAS-UHFFFAOYSA-N 439.972 5.329 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1cccc([N+](=O)[O-])c1 2326705789 MNPLIQJAMWHDGB-UHFFFAOYSA-N 436.324 5.230 30 10 IKEE CCCCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1N=Cc1cccc(C)c1 2326880929 PXFSKVYJWWPVRD-UHFFFAOYSA-N 440.569 5.262 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1ccc(CC)cc1 2327186985 VKMLJMOVCQXJKD-UHFFFAOYSA-N 434.609 5.711 30 10 IKEE Oc1ccccc1C=Nn1c(CCc2ccc(Cl)cc2)nnc1SCc1ccccc1 2328056656 NZFYNXSSCUUVIB-UHFFFAOYSA-N 448.979 5.597 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1cccc2ccccc12 2329101301 BOQVNWBJCOOLNQ-UHFFFAOYSA-N 432.980 6.226 30 10 IKEE Clc1ccc(Cc2nnc(SCc3ccccc3Cl)n2N=Cc2ccco2)cc1 2329102187 KHBVWYREMCMWCD-UHFFFAOYSA-N 443.359 5.943 30 10 IKEE CCCSc1nnc(CCc2cccs2)n1N=Cc1c(OC)ccc2ccccc12 2329674700 ZKRLMVVAGROABG-UHFFFAOYSA-N 436.606 5.671 30 10 IKEE COc1cccc(C=Nn2c(Cc3ccc(C)cc3)nnc2SCc2cccc(C)c2)c1 2329947245 UJGPCCVRVGZBFO-UHFFFAOYSA-N 442.588 5.669 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2ccc(Cl)cc2)nnc1[C@H](C)c1ccccc1 2330129139 OQJSMSKTXKDTGN-LJQANCHMSA-N 447.007 6.566 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(-c4ccccc4)cc3)cc2)c1 2330596566 KLQUBVMZVORYGC-UHFFFAOYSA-N 448.518 6.868 30 10 IKEE C=CCc1ccccc1OC1CN(C(=O)C=Cc2ccc(OCc3ccccc3)cc2)C1 2330641118 QLLMPWSCZSSKHZ-UHFFFAOYSA-N 425.528 5.297 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(SCc3ccccc3F)nnc2-c2ccccc2)cc1 2330674825 QEQROXJFRSJSSA-UHFFFAOYSA-N 444.579 6.556 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CC3CCCCC3)c(Cl)c2)cc1OC 2330718349 GRLSQGGBQYDDTP-UHFFFAOYSA-N 442.939 6.129 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3F)c([N+](=O)[O-])c2)cc1C 2330867264 IJSKGHRIOMMPPP-UHFFFAOYSA-N 435.407 5.166 30 10 IKEE COc1ccccc1C=Nn1c(SCc2c(F)cccc2Cl)nnc1[C@@H]1CCCO1 2331008994 HCMHEHBUCPPCOE-IBGZPJMESA-N 446.935 5.105 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1 2331018120 WTAQCKVIBAJBAE-UHFFFAOYSA-N 435.520 6.393 30 10 IKEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(Cl)cc1 2331047087 VYAJEXSSMVPJHC-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)Cc1cc(C)ccc1C 2331077675 VSVUWIXJUWZBIH-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2OC)cc(OC)c1OC(=O)c1cccc(F)c1 2331079823 IVOWNFQFRALVHL-UHFFFAOYSA-N 446.474 5.687 30 10 IKEE C=C(C)CSc1nnc(C(F)(F)F)n1N=Cc1ccc(OCc2ccccc2)cc1 2331135814 BQBACWBOBYFTOF-UHFFFAOYSA-N 432.471 5.426 30 10 IKEE FC(F)(F)c1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cccc(Cl)c1 2331151955 KIMSWIKMUPDHIG-UHFFFAOYSA-N 431.270 5.778 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2OC)cc1 2331183534 BJZHPKBNFCENJO-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)c1cccnc1 2331225462 WBNNQTUOPDSNJE-UHFFFAOYSA-N 435.907 5.866 30 10 IKEE Cc1ccccc1CSc1nnc(C(C)(C)C)n1N=Cc1ccc(Br)cc1 2331366449 XMWGJUARLWNJNN-UHFFFAOYSA-N 443.414 5.821 30 10 IKEE CC(C)Cc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(Cl)cc1 2331464608 XFTFHTZWAFNZJQ-UHFFFAOYSA-N 434.996 6.458 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1[N+](=O)[O-] 2331474765 IWSCQPHPJKGUFK-UHFFFAOYSA-N 431.488 6.520 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2Cl)c1 2331496336 MJQCHKBKXDRIOP-UHFFFAOYSA-N 448.946 6.977 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc(Oc3ccccc3)c2)cc1)c1ccc(F)cc1 2331512649 ONCGUPLYGFRADY-UHFFFAOYSA-N 438.454 6.733 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)c(C)c3)cc2)c(OCC)c1 2331733876 XXMNHPRFKIOKKX-UHFFFAOYSA-N 444.527 6.216 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2ccccc2F)c(Cl)c1 2331876605 NHQVSGTTXHGSOV-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE CC1(C)OB(/C=C/c2ccc(NC[C@@H]3CCCCN(Cc4ccccc4)C3)nc2)OC1(C)C 2365053858 UICWTKVBUGVPAP-QDEBQFNMSA-N 447.432 5.440 30 10 IKEE O=C(/C=C\Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(OCCCF)cc1 8781789 FBTDUEWERHXFBD-VURMDHGXSA-N 435.339 6.271 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2 14466144 KPJZTYJQJPTTHP-XLNZFTOWSA-N 440.996 5.529 30 10 IKEE COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C)cc2)c1 21218646 HYHJIBPKZSDJOQ-VKGTZQKMSA-N 440.543 5.992 30 10 IKEE Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1[N+](=O)[O-] 21243420 BORALWHZHFQPMK-UPCLLVRISA-N 431.517 5.944 30 10 IKEE COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccco2)cc(OC)c1OC 21251958 ZRFCFNPDCSTIHQ-BZQUYTCOSA-N 446.503 5.285 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C/c1c(Cl)cccc1Cl)C2=O 33581683 RECKHXSVEFITCK-CIAFOILYSA-N 425.267 6.137 30 10 IKEE C=CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2OCc2ccccc2Cl)SC1=S 33746485 JIUOZIIBMSTVIA-WOJGMQOQSA-N 446.937 5.214 30 10 IKEE Cc1cc2oc(C(=O)c3c(C)c(C#N)c(=O)n([C@H](C)c4ccccc4)c3O)c(C)c2cc1C 38623429 YVBOVAGGPJGGFM-GOSISDBHSA-N 440.499 5.246 30 10 IKEE CCCCCCn1c(O)c(C(=O)c2sc3cc(C)ccc3c2Cl)c(C)c(C#N)c1=O 38627045 QTSMWAALUUBRFW-UHFFFAOYSA-N 442.968 5.722 30 10 IKEE C=CCOc1cccc([C@@H]2c3c(-c4cc(Cl)c(C)cc4O)n[nH]c3C(=O)N2CCC)c1 39914262 CJPNGHUNOAXBEV-HSZRJFAPSA-N 437.927 5.264 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1ccc(Cl)cc1 40078195 AJWMOGGSBPLRJF-NRFANRHFSA-N 427.928 5.507 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccc(C(C)(C)C)cc1 40095860 UKIIYWRDPZRVBG-MZNJEOGPSA-N 447.575 5.686 30 10 IKEE C=CCc1ccccc1OCCCn1c(CCNC(=O)c2cccs2)nc2ccccc21 40199198 QQCGTWMFHSPVCV-UHFFFAOYSA-N 445.588 5.268 30 10 IKEE Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)C[C@H](C)c1ccccc1 59240617 CMMDOHABDLONOY-KSFYIVLOSA-N 437.370 7.090 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OC(=O)c4cccc(F)c4)cc(C)c3C2=O)cc1 62942232 DNQAGNJFRFHMIG-OYKKKHCWSA-N 445.490 5.816 30 10 IKEE O=S(=O)(c1ccc(/N=C/c2c(Cl)cccc2Cl)cc1)N1CCc2ccccc21 95082143 XVRPYQSAMFOBEX-ZVHZXABRSA-N 431.344 5.495 30 10 IKEE CCCCCCCCCCCCN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S 101444505 KWISXPHFAVLWLV-XLNRJJMWSA-N 428.667 7.290 30 10 IKEE CCCCCCCCCn1c([C@H]2CC(=O)N(c3c(C)cccc3C)C2)nc2ccccc21 102201463 PTZBPMSBSKNOEN-QHCPKHFHSA-N 431.624 6.924 30 10 IKEE CCc1ccc(-c2nc(C)c(C(=O)/C=C3/NCCc4cc(OC)c(OC)cc43)s2)cc1 102583679 KXYVMHWSVNSIQI-XSFVSMFZSA-N 434.561 5.068 30 10 IKEE Cc1ccsc1/C=C1/Oc2cc(OCc3c(F)c(F)c(F)c(F)c3F)ccc2C1=O 102738596 PNDLWUGRRALAMR-VGOFMYFVSA-N 438.373 5.947 30 10 IKEE CC1(C)CC(=O)C([C@@H](C2=C(O)CC(C)(C)CC2=O)c2cccc(Br)c2)C(=O)C1 105443185 DPXWNXOKFXGWIC-IBGZPJMESA-N 447.369 5.308 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 165118827 VSOWQRKNCFYBNV-OQLLNIDSSA-N 429.516 5.616 30 10 IKEE CCN1C(=S)N[C@@H](c2ccccc2OCc2ccc(Cl)cc2)C2=C1CCCC2=O 169932947 LBWJHSXMVDXTTE-QFIPXVFZSA-N 426.969 5.177 30 10 IKEE CCc1nc(N/N=C\c2cc(Cl)c(OCC(C)C)c(Cl)c2)sc1C(=O)OC 169942623 DKSWNYMQDGERAG-WNFQYIGGSA-N 430.357 5.280 30 10 IKEE CC(C)Oc1cccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccccc2)c1 169979867 JKHXCUWZZVHWKH-SANMLTNESA-N 441.527 5.576 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]2c2cccs2)c1 169986563 FUWWNCNRPUMADC-OAQYLSRUSA-N 437.948 6.110 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 170058836 CAZVPRBNVNLPMF-HXUWFJFHSA-N 439.298 5.167 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccc(F)cc2)cc1C 170060944 YKGAGJWSIYNPBA-QFIPXVFZSA-N 437.417 5.504 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)(C)C)cc2)[C@H]1c1ccco1 170090560 PLITWNASZWIULH-QFIPXVFZSA-N 431.488 5.369 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1ccc(O)cc1 170136882 UMAGPXQNBYTIHA-HXUWFJFHSA-N 425.868 5.170 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccc(C)c2)c1 170142704 QWJBGOAWBDWDDJ-XMMPIXPASA-N 427.500 5.485 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@@H]1c1cccc(C)c1 170147309 VMHFLORUKJUDHR-NRFANRHFSA-N 427.928 5.426 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccc2)c1 170222660 WQWQHGLPQCPDCL-QHCPKHFHSA-N 431.463 5.396 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 170226521 SAAQXOHXSQQZJY-FQEVSTJZSA-N 434.835 5.031 30 10 IKEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4cc(F)ccc4F)[C@@H]3c3ccccc3)ccc2O1 170229657 JRKDONAMSQRNPX-LFVRLGFBSA-N 447.437 5.071 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(C(C)C)cc1 170245649 XUYJIFXTMLZOOG-VWLOTQADSA-N 449.591 6.142 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1F 170249192 OYHSHOPZUUCJDJ-DEOSSOPVSA-N 443.518 6.215 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1cccc(O)c1)c1ccc2ccccc2c1 170256940 RPPYGKGIFGUJAR-HSZRJFAPSA-N 441.508 5.385 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2ccco2)s1 170284141 OGESBALTUSYYHG-QGZVFWFLSA-N 428.897 5.098 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1sccc1C 170317885 QKJOBNVRSUZKPM-FQEVSTJZSA-N 441.593 5.277 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(Cl)cc(Cl)c2)[C@@H]1c1cccc(O)c1)c1cccs1 170386211 YKPLEYMVXVQPQW-GOSISDBHSA-N 446.311 5.543 30 10 IKEE CCOc1cc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)ccc1O 170464919 OHIMTNSCJFEJCL-QFIPXVFZSA-N 443.927 5.268 30 10 IKEE Oc1cc(N=C/C=C\c2ccc(Cl)cc2Cl)ccc1-c1nc2ccccc2s1 252633126 VZVIXTXZGMNUNK-OHKTVLNTSA-N 425.340 7.391 30 10 IKEE CC(=O)C(=NNc1ccc(Cl)cc1)Sc1nnc(-c2ccccc2)n1-c1ccccc1 254405793 LIWPNFVMJZMRDJ-UHFFFAOYSA-N 447.951 5.694 30 10 IKEE aggregator C=C(CC[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@]3(C)CCC(=O)C(C)(C)[C@H]3CC[C@@]12C 256430421 HKRMRIDUAZDXGO-LDCZECQHSA-N 440.712 7.754 30 10 IKEE biogenic CCOc1cccc([C@@H]2C(c3cccc(OC)c3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 526488087 FALCWRAYRFIGOD-XMMPIXPASA-N 426.472 5.023 30 10 IKEE Cc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1cccc(C(F)(F)F)c1 526805319 INHXOVOROHVXCC-ZMFRSBBQSA-N 432.515 6.077 30 10 IKEE CCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccccc2Cl)cc1Cl 526816751 MMQPRDUOVQPDDO-FMCGGJTJSA-N 435.380 5.721 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2ccccc2C)cc1 586233917 SLOCLPXNYKZQJJ-UHFFFAOYSA-N 446.616 6.385 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccc(Br)c(Br)c1 698399638 PJPPVZZGIKVQMV-NHYWBVRUSA-N 446.183 5.812 30 10 IKEE CC(C)[C@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Br)c2)CC1 698496739 IUGAQIHAESRHJI-HTAPYJJXSA-N 435.406 6.689 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@@H](C#N)c1ccsc1Br 706979367 IVHOYDDTHNCSNT-AWEZNQCLSA-N 427.751 6.170 30 10 IKEE C=C(C)CNC(=S)/C(=C(/O)c1cc(Cl)ccc1Cl)[n+]1cc(O)cc(Cl)c1 738014193 PFVFTYITMVCJBG-UHFFFAOYSA-O 430.764 5.017 30 10 IKEE COc1cc(C=Nc2nc[nH]n2)cc(Br)c1OCc1cccc2ccccc12 1084048171 BLBDOILRGHSKQW-UHFFFAOYSA-N 437.297 5.059 30 10 IKEE Clc1cccc(N=Cc2cc(Br)c(I)o2)c1Cl 1084361145 FZJLQLKJSVEMDY-UHFFFAOYSA-N 444.881 5.704 30 10 IKEE FC(F)(F)c1cccc(C=NNc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1 1084382370 OIPSGPSEZKXPDF-UHFFFAOYSA-N 449.440 5.824 30 10 IKEE CCC(C)=NNc1nc(SCC(=O)Nc2ccccc2SCc2ccccc2)n[nH]1 1084512080 GWSBDHZSMRAQTF-UHFFFAOYSA-N 440.598 5.026 30 10 IKEE CN1C/C(=C\c2cccc(C(F)(F)F)c2)C(=O)/C(=C/c2cccc(C(F)(F)F)c2)C1 1088695082 TYZZEPNCAZGQDV-GONBZBRSSA-N 425.372 5.706 30 10 IKEE O=C1/C(=C/c2cccc(Br)c2)SC(=Nc2cccnc2)N1C1CCCCC1 1772732232 VYJFOKWVZZBYSG-YNUQAMOLSA-N 442.382 5.781 30 10 IKEE O=C1/C(=C\c2ccc3c(c2)OCO3)SC(=Nc2cccnc2Cl)N1C1CCCCC1 1772732830 GTQFJUIHFWDJRY-QCIUGURRSA-N 441.940 5.400 30 10 IKEE CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=Nc1nc(-c2ccccc2)cs1 1772737374 MMGSTRJSSDRTEA-CIOOEQDQSA-N 435.530 5.163 30 10 IKEE N#Cc1cccc(NC(=O)Oc2cccc3c(NC(=O)c4cccc(F)c4)cccc23)c1 1858767555 HFFNMWPRAVRBLK-UHFFFAOYSA-N 425.419 5.714 30 10 IKEE CCCCCCCCNC(=O)c1ccc2nc(-c3ccc(OC)c(OCCC)c3)[nH]c2c1 1861874250 JILXGYBGGAUKCK-UHFFFAOYSA-N 437.584 6.118 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1cccc(C)c1 1862411925 RJFUOFBWDPYACD-QHCPKHFHSA-N 441.518 6.212 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862429697 SKWVKYITHYQKQV-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)c1 1862444158 WWNLEQGIQZLLJJ-SBUREZEXSA-N 431.919 5.988 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(O)cc1 1862530037 MQLXJDXVWGSNBW-QPPBQGQZSA-N 435.564 5.892 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(F)cc1 1862530059 MTLPVXHIQFXVEZ-LADGPHEKSA-N 437.555 6.325 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccc(CC)cc2)cc1 1862530796 YGORMFUDHVDDJF-AFMDSPMNSA-N 439.555 6.151 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 1862531849 DBMBDIAZCHKCGY-XMMPIXPASA-N 445.946 5.723 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 1862538068 COZPVJSDERIHGA-JLTOFOAXSA-N 431.454 5.645 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1c(F)cccc1Cl 1862620395 RANYSDBXCLVHRJ-HXUWFJFHSA-N 429.919 5.765 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2cccc(O)c2)c1 1862650209 PXBGUJJPGQLJGD-SANMLTNESA-N 449.506 5.632 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 1862665302 DCQREKLUXAHUBB-JOCHJYFZSA-N 436.508 5.487 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CC)cc1OCC 1862685441 WTXYNBMCBYFZRJ-QFIPXVFZSA-N 441.499 5.002 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccc(C)cc2)cc1 1862686883 FBARIKAYCPLOGQ-XMMPIXPASA-N 433.548 5.695 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccc1Br 1862719371 NPUVCRPRSNKNCU-OAQYLSRUSA-N 448.316 5.367 30 10 IKEE N#Cc1ccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3cccc4ccccc34)C2=O)cc1 1862794508 QIHCPTQCDRGLKQ-UHFFFAOYSA-N 449.897 5.761 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(C(F)(F)F)cc3)C2=O)cc1 1862900001 QLSNOCFDOKYEPJ-UHFFFAOYSA-N 447.416 5.282 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccc(C(C)(C)C)cc3)C(=O)N(c3ccccc3C#N)C2=O)c1 1863036953 NPEAYAQALOQKFE-UHFFFAOYSA-N 449.554 5.869 30 10 IKEE N#Cc1ccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(CCC3=CCCCC3)C2=O)cc1 1863173779 PNSGWVARQISTMT-UHFFFAOYSA-N 431.923 5.294 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccccc2F)=C(c2cc(C)ccc2C)C1=O 1863741344 MAKJDYAIUZZBOG-UHFFFAOYSA-N 436.571 5.673 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H](C)c2ccccc2)=C(c2cc(C)ccc2C)C1=O 1863741658 RBGITHLQMUFWLP-QFIPXVFZSA-N 432.608 6.095 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1cccc(C(F)(F)F)c1 1866029733 DOFCDTIHWUJWGJ-UHFFFAOYSA-N 427.595 8.905 30 10 IKEE CCCC[C@@H](NC(=O)[C@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccccc1C#N 1866964420 VIPJOODVMUHWSX-RPBOFIJWSA-N 433.596 5.735 30 10 IKEE C[C@H](c1cccs1)N1CCN(c2cc(Nc3ccc(C#N)cc3)nc(C(C)(C)C)n2)CC1 1868356382 XNDOYEBSIWWVCA-GOSISDBHSA-N 446.624 5.334 30 10 IKEE N#Cc1nnn(-c2ccc(Oc3ccccc3)cc2)c1NC(=O)c1ccccc1C(F)(F)F 1870159470 JLUNZQLMKQPAAY-UHFFFAOYSA-N 449.392 5.202 30 10 IKEE C=CCn1cc(OCCc2ccccc2)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870191761 SMIGBRPNLGGPSX-UHFFFAOYSA-N 445.588 5.140 30 10 IKEE CCCCCCCCn1cc(OCCCc2ccccc2)c(=O)cc1CSC(C)C 1870191944 BCPQYLNTLPJRAX-UHFFFAOYSA-N 429.670 6.862 30 10 IKEE CCCCCCCCn1cc(OCc2c(C)cc(C)cc2C)c(=O)cc1CSCCO 1870243335 OBIUUIKEIVVURC-UHFFFAOYSA-N 445.669 5.939 30 10 IKEE CCCCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CN1CCN(C)CC1 1870612142 NSHIUOPYTNLDJX-UHFFFAOYSA-N 431.665 5.081 30 10 IKEE CCCCCCCCCCn1cc(OCCCC)c(=O)cc1CN1C[C@@H](C)C[C@@H](C)C1 1870663154 IVACLUDGAZUIBJ-PSWAGMNNSA-N 432.693 6.646 30 10 IKEE CCCCCCCOc1cn(CCN(CC)CC)c(CNc2ccc(C)c(F)c2)cc1=O 1870837465 IEMMGBRGXROKQT-UHFFFAOYSA-N 445.623 5.599 30 10 IKEE CCCCCCCOc1cn(CCCN(CC)CC)c(CNc2cccc(C)c2)cc1=O 1870837782 YCASWMAHWATYPI-UHFFFAOYSA-N 441.660 5.850 30 10 IKEE CCCCCCCOc1cn(CCCCCCO)c(CNc2ccccc2C)cc1=O 1870839110 LOIANNHNFRPOHY-UHFFFAOYSA-N 428.617 5.671 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(N(C)C)cc1)O3)CN(CCC1=CCCCC1)CO2 1871348914 CROCLZCXKDCFBR-XYGWBWBKSA-N 444.575 5.720 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(Cl)c(Cl)c1)O3)CN(CCC(C)C)CO2 1871352865 FWSRQHBPKBVUTI-JMIUGGIZSA-N 432.347 6.116 30 10 IKEE CCCCCCCCN1COc2c(cc3c(c2C)O/C(=C\c2ccc4c(c2)OCO4)C3=O)C1 1871355427 KLZIGLNSAWIQCZ-CFRMEGHHSA-N 449.547 5.852 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(OC)c2)C3=O)cc1 1871387289 NGBJTTWDRVRGGT-UCQKPKSFSA-N 430.456 5.238 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccc(F)cc4)ccc3C2=O)cc1 1871401026 RRBNSOCJZZJSBA-DNPFKWNUSA-N 447.462 5.247 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCCOc3ccc(OC)cc3)ccc2C1=O 1871414765 NYGKWSKGNPFAEE-XYGWBWBKSA-N 432.472 5.168 30 10 IKEE Cc1cc(OCc2ccc(C#N)cc2)cc2c1C(=O)/C(=C/c1cccc(Br)c1)O2 1871417658 OVHUGEYRWWLEMJ-JJFYIABZSA-N 446.300 5.824 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(F)cc2)[nH]c(N2CCC[C@@H](C)C2)n1 1871515578 BRZOVWJBPHSEKG-HXUWFJFHSA-N 442.627 5.965 30 10 IKEE C=CCN(CC=C)c1nc(=NCc2ccccc2Cl)nc(Nc2ccc(C)c(C)c2)[nH]1 1871526756 ISJZSJMUADTJEV-UHFFFAOYSA-N 434.975 5.098 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(CC)cc1)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872081171 ZCTANWSHCAXKMV-XMMPIXPASA-N 442.625 5.096 30 10 IKEE O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nonc1OCc1ccc(F)cc1 1872685897 NTLBIFOTLILLGH-UHFFFAOYSA-N 449.282 5.078 30 10 IKEE CCc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc1 1872761418 MVSBRXUSKHJDKS-LJQANCHMSA-N 446.532 5.371 30 10 IKEE COc1cccc(OC)c1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872769092 JGSNXKNIWMZJQX-GFCCVEGCSA-N 433.316 5.624 30 10 IKEE N#C[C@H](C(=O)/C=C/c1ccccc1Cl)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872769506 TZEXXCYXOVFCEZ-IZPAUZPXSA-N 433.747 6.660 30 10 IKEE COc1cc(OC)c(-c2csc([C@@H](C#N)C(=O)Cc3cc(C)ccc3C)n2)cc1Cl 1872782084 CVZIPGSQNCZYFE-KRWDZBQOSA-N 440.952 5.517 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)/C=C\c2ccc(Cl)cc2)n1 1872785955 XVBRZSGPVUVHBW-UOMAQRANSA-N 434.992 6.959 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@H]2CCCC[C@@H]2C)=C(c2ccc(C)cc2)C1=O 1873143752 ZYDCUMUZJKGOLP-UPVQGACJSA-N 438.656 6.384 30 10 IKEE CCCCCCCCCCNC(=O)c1cc2c(N3C[C@@H](C)C[C@@H](C)C3)ncnc2n1CC 1873570814 JTHBAISITRFWKF-OYRHEFFESA-N 441.664 5.804 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Br)cc2C)cc2c(NCCCC)ncnc21 1873604254 QYUXLMHAJDXTQR-UHFFFAOYSA-N 442.361 5.153 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(CC)cc1)n2CCC 1873619686 KLDPEWWVFFCMQD-UHFFFAOYSA-N 435.616 6.428 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc3cc[nH]c3c1)n2CCCC 1873656599 FPDVENVUMKHUMA-UHFFFAOYSA-N 428.540 5.143 30 10 IKEE Cc1c(CC(=O)Nc2ccccc2C#N)c(=O)oc2c(C)c3occ(-c4ccccc4)c3cc12 1873868678 MLVLPBUCRDGTEW-UHFFFAOYSA-N 448.478 5.876 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2/N=C/c2ccccc2OCCC)CC1 1874287616 NUYYNIUQMCNVJE-LGUFXXKBSA-N 442.673 6.915 30 10 IKEE Cc1cccc(/C=N/n2c(COc3ccc(C)c(C)c3)nnc2SCc2ccccc2)c1 1874320210 GHRRYGIQMJQKTI-JVWAILMASA-N 442.588 5.957 30 10 IKEE Clc1ccc(CSc2nnc(CCc3cccs3)n2/N=C/c2ccccn2)cc1 1874372010 CWUYMGKFRREYDN-ZVHZXABRSA-N 439.997 5.348 30 10 IKEE Cc1ccsc1/C=N/n1c(Cc2ccccc2F)nnc1SCCc1ccccc1 1874376447 WXCQTVBWJWZIQY-PCLIKHOPSA-N 436.581 5.595 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2/N=C/c2cc(C)ccc2O)cc1 1874388511 PKGQDGZHKYBKCY-JFLMPSFJSA-N 446.551 5.505 30 10 IKEE CCOc1ccc(/C=N/n2c(Cc3ccc(C)cc3)nnc2SCc2ccccc2)cc1 1874389634 WWTSUDPZANEKIM-OVVQPSECSA-N 442.588 5.751 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2ccc(F)cc2)nnc1[C@H](C)c1ccccc1 1874394788 VUGCZFNDCBEQFJ-BWJYWGHISA-N 430.552 6.052 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C/c2ccccc2Cl)cc1 1874397076 ZSMQKMIDNUNQLI-WPWMEQJKSA-N 447.007 6.200 30 10 IKEE COc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCc2ccc(F)cc2)cc1 1874410431 SXUUNSAAOTYSHZ-ZVHZXABRSA-N 438.553 5.253 30 10 IKEE Fc1cccc(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2c(F)cccc2Cl)c1 1874444090 AGBWSYVCZUGNJC-DAFNMPDCSA-N 434.899 5.236 30 10 IKEE Cc1cccc(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2cccc3ccccc23)c1 1874448121 UKYAIXHZVMDJHX-LRULAXNGSA-N 428.561 5.766 30 10 IKEE Clc1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2ccccc2)cc1Cl 1874457143 CJYPACCPDRQRHY-ZMOGYAJESA-N 431.392 6.417 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2ccccc2Cl)nnc1C(F)(F)F 1874461224 CJWSWRBZVWYKGW-AUEPDCJTSA-N 426.851 5.133 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2ccc(Cl)cc2)cc1 1874482875 RXNJUEZZFBASDB-ZMOGYAJESA-N 441.988 5.150 30 10 IKEE CCOc1c(/C=N/n2c(SCc3cccc(F)c3)nnc2C(C)C)cccc1OC 1874512458 YQOZXSYOWNYBER-ZMOGYAJESA-N 428.533 5.122 30 10 IKEE CCCOc1ccccc1/C=N/n1c(CC)nnc1SCc1c(Cl)cccc1Cl 1874525938 MRMKLWXILFHJMJ-ZMOGYAJESA-N 449.407 6.111 30 10 IKEE O=C(/C=C/c1cc(Br)ccc1OCc1ccccc1F)c1ccc(Cl)cc1 1874577603 WNCAINRIIDQTIM-YRNVUSSQSA-N 445.715 6.717 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(C)c(C)c2)c1 1874588050 RHFSFRJIYXCUQA-VQHVLOKHSA-N 447.962 6.487 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccccc3C)c2)cc1Cl 1874599952 LUQGNZFABSLKAW-ZRDIBKRKSA-N 435.907 5.571 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)c1 1874618016 FQJNZZABYYZSNQ-WEVVVXLNSA-N 445.773 7.739 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OCc1cccc(C)c1 1874635537 QZJKKFICOACRME-ZHACJKMWSA-N 448.990 7.447 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)ccc1OCc1ccc(C)cc1 1874639406 YKZAQLPIHWHWKJ-FMIVXFBMSA-N 436.935 6.531 30 10 IKEE O=C(Cc1ccccc1Cl)Oc1cccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c1 1874693375 BQQXIUYQSNRRHU-NTCAYCPXSA-N 430.931 6.263 30 10 IKEE Cc1cc(C(=O)/C=C/c2cccc(OC(=O)[C@@H](C)Oc3ccc(Cl)cc3)c2)ccc1F 1874704122 XIDCXWSTFLURJC-JIOITTSWSA-N 438.882 6.057 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(-c4ccccc4)cc3)c2)cc1C 1874713785 NPMBVJDQSNFRCM-LDADJPATSA-N 432.519 7.086 30 10 IKEE COc1ccccc1C(=O)Oc1cccc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)c1 1874715408 RTAAYTQIOWLRKI-VAWYXSNFSA-N 436.891 5.781 30 10 IKEE COc1ccccc1CC(=O)Oc1cccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)c1 1874715880 QHHQSRFZZJSANM-JQIJEIRASA-N 442.555 6.345 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OC(=O)C1CCCC1 1875094437 RPGPSRQHIUOHQE-ZHACJKMWSA-N 443.883 5.639 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccccc3CC)cc2)cc1 1875106716 HUYQAMNLFUZANT-HMMYKYKNSA-N 442.555 6.472 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)CCc2ccccc2)c([N+](=O)[O-])c1 1875119452 VPVYVOXVHBCJGZ-SDNWHVSQSA-N 431.444 5.038 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] 1875121562 VXJLXKKRGDJBDE-PKNBQFBNSA-N 427.884 6.020 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc([N+](=O)[O-])c1OC(=O)Cc1ccc(C)cc1 1875126824 DCVMSIRZZLZVFM-BUHFOSPRSA-N 445.471 5.346 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OC(=O)c1ccc(CC)cc1 1875127036 LPMJRBHSGXZTSI-NTCAYCPXSA-N 434.919 6.416 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Br)c1OC(=O)C(F)(F)F 1875136891 LBWIDFZOLKLHOH-VMPITWQZSA-N 443.215 5.130 30 10 IKEE O=C(Cc1ccccc1F)Oc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1Cl 1875162008 RWLWMLSQCSVZLQ-WEVVVXLNSA-N 430.809 5.802 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)[C@@H](C)c1ccccc1 1875175163 BIHJFWGUYIETPY-PKHIPVCBSA-N 444.527 5.926 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc1[N+](=O)[O-] 1875179819 CGVBPWMEVXCPMO-VQHVLOKHSA-N 431.872 5.557 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)cc1C 1875186685 IDGSUEVOCLGVMQ-KPKJPENVSA-N 445.471 5.644 30 10 IKEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1ccc(Oc2ccc(F)cc2)cc1 1891703471 ORNCPFRJGIQZCJ-UHFFFAOYSA-N 443.396 5.449 30 10 IKEE C=CCN(Cc1ccccc1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 1914514865 QFKMYHMKJGVSAL-UHFFFAOYSA-N 435.170 5.133 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCOC[C@H]1C(F)(F)F 1916555608 VAJNBDCLCCJFOC-PBHICJAKSA-N 449.267 5.052 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1 1941061811 OUCDWFSDRJDVSC-YADARESESA-N 431.577 5.568 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 1943894957 POXXKISBOGDKEE-JPYJTQIMSA-N 433.524 5.297 30 10 IKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)C1(C#N)CC2(CCC(NC(=O)OC(C)(C)C)CC2)C1 2007727105 JLLDZCYGCZYEFG-QYABCUEUSA-N 435.609 5.532 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CCC(C)(C)N(C(=O)OC(C)(C)C)C1 2017964638 AINPKOZELFFZED-PKTZIBPZSA-N 430.633 5.553 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@H]1C[C@@H](C(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2038747254 UXFBYLGFIWAOBV-VXNXHJTFSA-N 444.660 5.657 30 10 IKEE O=C(C(=Cc1cc([N+](=O)[O-])ccc1OC(F)F)c1nc2ccccc2[nH]1)c1ccccc1 2053614996 SQKCLJXHIMONIT-UHFFFAOYSA-N 435.386 5.496 30 10 IKEE C=C(C)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@@H](O)C[C@H](O)[C@@]34C)[C@H]12 2053639386 SWEUJTWPRYKNNX-ZHTUWTMOSA-N 442.728 6.996 30 10 IKEE CC(C)N[C@]1(C#N)C[C@H](C)C[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)C1 2055022972 HKAPMEYQGXHTPQ-RYRVMRHHSA-N 432.656 5.070 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NC)c2c(Cl)cccc2Br)C1 2063051603 FDXFBXLOCHNTKO-MRXNPFEDSA-N 429.786 5.224 30 10 IKEE C[C@H](c1ccc(C(F)(F)F)cc1F)n1nc(C2CC2)c(C#N)c1I 2079894344 FLTNBWSMZOWQSK-MRVPVSSYSA-N 449.189 5.004 30 10 IKEE CC(C)[C@]1(C)CSC(=Nc2ccc(Cl)c(I)c2Cl)N1 2093947913 LKDHHWUUXJXPEB-ZDUSSCGKSA-N 429.154 5.337 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Br)c1Cl)NCC 2110495451 PWEXUUAPZOBMIN-SJORKVTESA-N 445.829 5.483 30 10 IKEE C=CCC1([C@H](NCC)c2sc(C)c(C)c2Br)CN(C(=O)OC(C)(C)C)C1 2229303429 DAPWQRZLOXGNRQ-QGZVFWFLSA-N 443.451 5.591 30 10 IKEE CC1(C)CC=C(C(=O)[C@H](Cc2cccc(Br)c2)NC(=O)OC(C)(C)C)CC1 2237409894 KJCIUEDKFBOVGJ-SFHVURJKSA-N 436.390 5.591 30 10 IKEE O=C(N[C@@H](C(=O)C#Cc1ccccc1Br)c1ccccc1)OCc1ccccc1 2268310043 UEEZQLBNABNFQV-HSZRJFAPSA-N 448.316 5.037 30 10 IKEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N(Cc1ccccc1)CC1CCCCC1 2282121057 PCKIBEQOIMNBHJ-UHFFFAOYSA-N 447.428 5.517 30 10 IKEE CCC[C@H](CCNC(=O)OC(C)(C)C)CC[C@@H](O)C#Cc1ccc(Br)cc1 2296282529 XWXQXEMUVMPVFA-FXAWDEMLSA-N 438.406 5.273 30 10 IKEE COc1ccc(C=CC(=O)c2c(O)nc3ccc(Cl)cc3c2-c2ccccc2)c(OC)c1 2297298208 MNVOHPONTJNCIK-UHFFFAOYSA-N 445.902 6.174 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCN(C(=O)OC(C)(C)C)[C@H]1C(F)(F)F 2303944266 ZKQMDZOUOLBCRS-FOIQADDNSA-N 449.514 5.104 30 10 IKEE COC(=O)c1ccc(C)c(-c2ccc(C=C3SC(=Nc4ccc(F)cc4)NC3=O)o2)c1 2313557901 OJTFDZYWYARPRC-UHFFFAOYSA-N 436.464 5.072 30 10 IKEE CC(C)(C)[C@H]1CCc2c(sc(NC(=O)C=Cc3ccc(Cl)c([N+](=O)[O-])c3)c2C#N)C1 2313724535 GBLCUTYJTVSVMN-AWEZNQCLSA-N 443.956 5.984 30 10 IKEE COc1ccccc1C=C1SC(=Nc2cccc(C(=O)O)c2)N(c2ccccc2)C1=O 2314548566 VKGPAIFIZLMBDP-UHFFFAOYSA-N 430.485 5.202 30 10 IKEE O=C1C(=Cc2ccccc2O)SC(=NN=CC=Cc2ccccc2)N1Cc1ccco1 2314841122 OHXAKHBGIKAREN-UHFFFAOYSA-N 429.501 5.157 30 10 IKEE Clc1ccccc1CSc1nnc(C2CC2)n1N=Cc1ccc(Br)cc1 2320858313 WTAYPJGERAFXIY-UHFFFAOYSA-N 447.789 5.746 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2321351078 HCOWLAKOCDKXMP-MOPGFXCFSA-N 445.535 5.249 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(ccc(OCc4cccc(F)c4)c3C)C2=O)cc1 2321888292 AOUFVQKNJQZINY-UHFFFAOYSA-N 431.507 6.176 30 10 IKEE Cc1ccccc1CCc1nnc(S)n1N=Cc1ccc(OCc2ccccc2C)cc1 2321993812 KMBHEPYCWXYDED-UHFFFAOYSA-N 442.588 5.430 30 10 IKEE COc1cccc(C=C2Oc3c(ccc4c3CN(C3CCCCCCC3)CO4)C2=O)c1OC 2322177548 GUAARWKALPCVPO-UHFFFAOYSA-N 449.547 5.585 30 10 IKEE Cc1cccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3ccccc3Cl)C4)C2=O)c1 2322305629 UQUVZSJZFIAHCW-UHFFFAOYSA-N 431.919 5.925 30 10 IKEE Cc1ccc(COc2ccc(Cl)cc2C=CC(=O)c2ccc(Br)cc2)cc1 2322427171 GAOXNFKTUWAPJK-UHFFFAOYSA-N 441.752 6.886 30 10 IKEE Cc1ccsc1C=C1Oc2c(cc3c(c2C)OCN(C24CC5CC(CC(C5)C2)C4)C3)C1=O 2322437173 DMQWRWQNFFISGV-UHFFFAOYSA-N 447.600 6.102 30 10 IKEE O=c1c(Cl)c(NN=Cc2c(Cl)cccc2Cl)cnn1-c1cccc(Cl)c1 2322607219 PHWJDBFIOZGPHJ-UHFFFAOYSA-N 428.106 5.292 30 10 IKEE O=C(Cc1cccs1)Oc1ccc2c(c1)OC(=Cc1ccc(Br)cc1)C2=O 2322860673 HYJJFERJAJWTAE-UHFFFAOYSA-N 441.302 5.275 30 10 IKEE COc1cccc(C=CC(=O)c2cc(Cl)ccc2Cl)c1OCc1ccccc1F 2323005229 WQJXNHDNYCXUDV-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)c3C)C2=O)cc1 2323231992 MNVUQZJFUDVKGH-UHFFFAOYSA-N 449.846 5.700 30 10 IKEE C=C(C)CN(Cc1ccccc1)[C@](C)(C(=O)O)c1ccc(CNC(=O)OC(C)(C)C)cc1 2323305397 PCMOELVGZFYMCU-SANMLTNESA-N 438.568 5.089 30 10 IKEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1c(F)cccc1Cl 2323379687 FWXKMWBIBVHQCW-UHFFFAOYSA-N 441.842 5.871 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2)c(Br)c1)c1ccc([N+](=O)[O-])cc1 2323676171 UIAAFZRMFQADID-UHFFFAOYSA-N 438.277 5.832 30 10 IKEE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1 2323812813 OSDTVOYIQLQAPC-UHFFFAOYSA-N 434.875 5.963 30 10 IKEE CCCOc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2OC)C3=O)cc1 2323827254 NGTXXJGCIQQDLC-UHFFFAOYSA-N 444.483 5.628 30 10 IKEE C[C@@H]1C[C@@H](C)CN(Cc2c(O)ccc3c2OC(=Cc2ccc(Cl)c(Cl)c2)C3=O)C1 2324054952 QPSZODFRFVHIOO-ZIAGYGMSSA-N 432.347 5.793 30 10 IKEE CCn1cc(C=C2Oc3c(CN4CCC[C@H](C)C4)c(O)cc(C)c3C2=O)c2ccccc21 2324066966 MIWXNANZMJOLEB-KRWDZBQOSA-N 430.548 5.523 30 10 IKEE Cc1cccc(OCCCCOc2ccc3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)c1 2324570242 KCSIVYRQAOGAKZ-UHFFFAOYSA-N 443.543 5.915 30 10 IKEE CCOc1ccccc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1sccc1C)C2=O 2324900404 ZCLNXUDMFXCNBO-UHFFFAOYSA-N 449.528 5.397 30 10 IKEE CCOC(=O)c1ccc(COc2cc(C)c3c(c2)OC(=Cc2ccccc2OCC)C3=O)o1 2325402343 RDYYKYFRLLMZPS-UHFFFAOYSA-N 448.471 5.359 30 10 IKEE Fc1cccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccc(Cl)cc2)c1 2325474547 SLEGWQCNESPMDV-UHFFFAOYSA-N 436.943 5.836 30 10 IKEE O=C(Oc1cccc(C=CC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc([N+](=O)[O-])cc1 2325709242 ONMWXNVZEZEKIH-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2ccc(C)cc2)cc1OC(=O)C1CCCC1 2325738192 JWNOZDQQDVVQMX-UHFFFAOYSA-N 443.337 5.758 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2cccc(OC(=O)[C@@H](C)Oc3ccc(Cl)cc3)c2)cc1 2325750704 JCHMIPJBGWDICL-LJQANCHMSA-N 448.946 6.732 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1OC(=O)c1ccccc1C 2325755249 LYQXTXLEIGFHJV-UHFFFAOYSA-N 430.500 5.744 30 10 IKEE COc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)c2)cc1 2325756916 JPBOVKIDLOYHPT-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE CCc1ccc(OCCCc2nnc(SC)n2N=Cc2ccc(C(C)(C)C)cc2)cc1 2326296008 DNZIGAAQWMVUCK-UHFFFAOYSA-N 436.625 5.754 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1c(C)[nH]c2ccccc12 2326574759 BEUCMKJDQIYFES-UHFFFAOYSA-N 441.963 5.987 30 10 IKEE Cc1ccc(CSc2nnc(COCc3ccccc3)n2N=Cc2ccc(O)cc2)cc1 2329301972 PFHGDAQSHIKENK-UHFFFAOYSA-N 444.560 5.183 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc[nH]1 2329489237 LVVVPPDRDNNINI-UHFFFAOYSA-N 435.984 5.528 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccccc3F)nnc2[C@@H](C)c2ccccc2)cc1 2330109156 KESYOIPTCMPRII-SFHVURJKSA-N 446.551 5.752 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1 2330595240 NGQQHGDFIZZLNW-UHFFFAOYSA-N 432.519 6.788 30 10 IKEE C(=Nn1c(SCc2cccc3ccccc23)nnc1-c1cccs1)c1ccccn1 2330596471 BRGRMGQSXFSRGY-UHFFFAOYSA-N 427.558 5.729 30 10 IKEE Cn1c(C(=O)Oc2ccc(C=CC(=O)c3ccc4ccccc4c3)cc2)cc2ccccc21 2330653397 COAHZCGUYZPPOV-UHFFFAOYSA-N 431.491 6.447 30 10 IKEE O=C(COc1ccc(Cl)cc1)Oc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1 2330653827 OEEGQLUDYZDJOF-UHFFFAOYSA-N 442.898 6.374 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1cccs1 2330672033 IGCUHSSSYGYOFP-UHFFFAOYSA-N 428.509 6.415 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccn3)c([N+](=O)[O-])c2)cc1 2330833686 IQYSKLMHPQCPRZ-UHFFFAOYSA-N 430.460 5.448 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)c1ccc(C)c(C)c1 2331183319 UUOORHAUSMCZKC-UHFFFAOYSA-N 426.512 6.156 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc([N+](=O)[O-])c1OC(=O)c1ccncc1 2331325229 ZNVXNTFZIMGZOT-UHFFFAOYSA-N 446.459 5.121 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)COc2ccc(C)c(C)c2)cc1 2331351800 ABWJKZVJIIKUOQ-UHFFFAOYSA-N 430.500 5.501 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2C(C)C)cc1OCC 2331675159 XXBRELHCYIPSBA-UHFFFAOYSA-N 442.560 5.513 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)Cc2ccccc2Cl)cc1 2331780530 JWQKHZAPCOYCSS-UHFFFAOYSA-N 446.974 6.990 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(Cl)cc3)cc2)cc1C 2331835285 DVISINWQUMWNMH-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)cc(Cl)c1OC(=O)C(C)C 2331864266 GIYVVFJNCFFNMI-UHFFFAOYSA-N 438.907 5.968 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)C(C)C)c(Br)c1 2331876774 BLIFTMOWTYHNKN-UHFFFAOYSA-N 437.717 5.569 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2OC)ccc1OC(=O)c1ccc(F)cc1 2331885094 PMWPDGOZDQHLAY-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE N#Cc1cc(Cl)ccc1OCc1cc(I)ccc1Br 2341776676 QHTDHXSOQGRPLX-UHFFFAOYSA-N 448.485 5.158 30 10 IKEE CC1(C)CC=C(B2OC(C)(C)C(C)(C)O2)CN1Cc1cccc(Br)c1Cl 2362509630 UGQAJYRGGXCNNY-UHFFFAOYSA-N 440.618 5.645 30 10 IKEE CCCCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N/c1ccccc1C 3062607 RSWJBZHXCCEBMG-VHPLVOQASA-N 439.606 5.778 30 10 IKEE Oc1ccc2ccccc2c1/C=N/c1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1 3114038 PEYDLQDIJWYAJS-UVHMKAGCSA-N 433.294 7.411 30 10 IKEE C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2)nnc1-c1cc2cccc(OC)c2o1 8935309 FEXCJLRCNLYRCY-INIZCTEOSA-N 448.548 5.314 30 10 IKEE Cc1ccccc1CSc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)N2 9856530 PPEDSTPBPBKUJN-OAQYLSRUSA-N 436.968 5.554 30 10 IKEE C=C(C)CN1C(=O)[C@@H](C)Oc2cc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)ccc21 12081281 FUXJQNITBDLZJQ-ZIAGYGMSSA-N 449.334 5.089 30 10 IKEE C=CCSc1nnc2c(n1)O[C@H](c1ccc(OC3CCCC3)cc1)Nc1ccccc1-2 15015926 MAJOFXDSVLEPEH-JOCHJYFZSA-N 432.549 5.641 30 10 IKEE Cc1cccc(/N=C2\S[C@@H](CC(=O)c3cc(C)ccc3C)C(=O)N2c2cccc(C)c2)c1 15055207 CYQUEOUDRYNYSY-DEVZUPFRSA-N 442.584 6.329 30 10 IKEE C=CCOC[C@@H](O)CN(Cc1cccn1Cc1ccc(C(C)(C)C)cc1)[C@@H](C)C(C)C 35840708 NFTQYVKTVWIWRA-NVQXNPDNSA-N 426.645 5.244 30 10 IKEE CC[C@@H](C)n1c(O)c(C(=O)c2sc3cccc(Cl)c3c2Cl)c(C)c(C#N)c1=O 38617233 HWDLJZWDXJXJJI-SECBINFHSA-N 435.332 5.458 30 10 IKEE Cc1csc(/N=C2/S/C(=C\c3ccc(N(C)C)cc3)C(=O)N2C2CCCCC2)n1 39865629 KZZNTMHZCHYOOH-ZOVWXIRQSA-N 426.611 5.454 30 10 IKEE Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1/C=N/N(Cc1ccccc1)c1ccccc1 59146576 XXQGMPIEPMVFCB-YZSQISJMSA-N 425.492 5.438 30 10 IKEE N#CCCCOc1cccnc1NC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1 72087530 GEKIQDGWXCFOJQ-FOCLMDBBSA-N 449.514 5.269 30 10 IKEE CC(C)(C)OC(=O)N1CCC(CNc2nc3ccccc3n2Cc2ccc(C#N)cc2)CC1 95083922 VULPNCAHYFGRGY-UHFFFAOYSA-N 445.567 5.015 30 10 IKEE CCCCCCCCOc1ccc(CNCCCCCC)c(OCCCCCCCC)c1 100048175 SRTWLMXUGWEFJI-UHFFFAOYSA-N 447.748 8.835 30 10 IKEE C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)Nc1ccccc1NC(=O)[C@]13CC[C@@H](C1)C(C)(C)C3=C)C2 100937556 FRMYSNVWSVVWMN-LNYGVPGBSA-N 432.608 6.329 30 10 IKEE CCCCCCCCCCCn1c(CSc2ccc(Cl)cc2)nc2ccccc21 101262116 ZNMLPFGDSLRCGI-UHFFFAOYSA-N 429.073 8.513 30 10 IKEE CCCCCCCN1C(=O)/C(=C2/SC(=S)N(CCCCCC)C2=O)c2ccccc21 102827883 MDPWMEYXVSTYLH-QZQOTICOSA-N 444.666 6.155 30 10 IKEE O=[N+]([O-])c1ccc2nc(Sc3ccc(/C=N\c4ccc5ccccc5c4)o3)sc2c1 102867911 PEHXXUAUQOOUQS-QRVIBDJDSA-N 431.498 6.853 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@@H]1c1ccccn1)c1cc2ccccc2o1 169993135 OIPKLPVBFDMPBS-OAQYLSRUSA-N 448.837 5.403 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@H]2c2ccccn2)cc1 169995874 FJIGSXCAPABQSR-VWLOTQADSA-N 434.495 5.580 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@H]2c2ccncc2)cc1C 170020982 VJOARWREDYUSSC-VWLOTQADSA-N 434.495 5.635 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccccc2)cc1 170048868 QUQRWAPRGVMAHN-HSZRJFAPSA-N 442.471 5.501 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)c1 170069187 OCSKWZMDJWYCOR-NRFANRHFSA-N 437.854 5.271 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2sccc2C)cc1 170105818 RGXFKUUBUSGDMR-IBGZPJMESA-N 439.920 5.501 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(O)cc1 170138491 YXQNWIQTNSNPQW-QHCPKHFHSA-N 433.548 5.519 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccccc1OC(C)C 170150827 VQNZJMZHNPHFTG-VWLOTQADSA-N 447.575 5.731 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2cccs2)cc1 170159554 WNYGVIUVXVFELT-QHCPKHFHSA-N 429.541 5.718 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccncc2)cc1C(C)C 170204425 NMRXDEHCTRWVBP-DEOSSOPVSA-N 442.515 5.305 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1ccc(Cl)cc1 170236599 RYDKCWXONUHRIN-OAQYLSRUSA-N 427.928 5.426 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(C4CCCC4)[C@@H]3c3ccc(F)cc3)oc12 170244282 ZFVWJADCIQLKIC-OAQYLSRUSA-N 435.451 5.101 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccccc2C)c1 170271402 CIAMNDAZRHKVMW-VWLOTQADSA-N 441.527 5.874 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2c2cccc(F)c2)o1 170298914 XGSAGOUEQZVARG-JOCHJYFZSA-N 435.451 5.297 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2ccc(C)o2)c1 170300495 IQBTUBBJNGHEEN-HSZRJFAPSA-N 429.472 5.004 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC(C)C)cc3)[C@H]2c2ccc(C)o2)cc1 170303854 MGJDXQWCOKCXNM-XMMPIXPASA-N 445.515 5.714 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1c1ccc(F)cc1 170314025 HPLGPEQEDOTAFK-JOCHJYFZSA-N 443.499 6.132 30 10 IKEE CC(=O)Oc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)c(C)c2)cc1 170407272 PDECOYWNVIXGHU-XMMPIXPASA-N 441.483 5.012 30 10 IKEE COc1cccc2c(C)cc(-n3ncc(C#N)c3Nc3nc4cc(Cl)ccc4o3)nc12 170547656 UGFMSRKJPCHRFE-UHFFFAOYSA-N 430.855 5.147 30 10 IKEE C=CCn1c(SCCCCOC(=O)c2ccccc2)nnc1-c1ccc2ccccc2c1 253560968 BMLOXTIOTZZONO-UHFFFAOYSA-N 443.572 6.014 30 10 IKEE Cc1cccc(N=C2S/C(=C3/Sc4ccccc4N3C)C(=O)N2C2CCCCC2)c1 254472982 XBHTYHCLKUPMKQ-CSFSZXLXSA-N 435.618 6.302 30 10 IKEE COc1cc(C=Nn2cnnc2SCc2ccccc2)ccc1OCCc1ccccc1 254721273 FSNCWLWXCQMMSJ-UHFFFAOYSA-N 444.560 5.083 30 10 IKEE CC(C)(C)c1ccc(OCCOc2ccccc2C=NNc2ccc([N+](=O)[O-])cc2)cc1 254860465 OQNKORADTQLUFK-UHFFFAOYSA-N 433.508 5.796 30 10 IKEE COc1cc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2cccc(C#N)c2)cc(Cl)c1O 526515045 HNZQZFIVVYKSQS-IBGZPJMESA-N 438.892 5.045 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3Cl)[C@H]2c2ccc(O)cc2)c1 526522660 RMJHWHAIBQIHQM-OAQYLSRUSA-N 437.282 5.628 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccc(OCC)c2)cc1 526604730 WPZWIZOBHLMQLX-VWLOTQADSA-N 440.499 5.413 30 10 IKEE Cc1ccc(SC2=C(Nc3ccccc3C)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 526662578 GSHDBWOMAVHONR-UHFFFAOYSA-N 425.513 5.164 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1ccc(Cl)c(Cl)c1 526809794 UPJIJOCPGDPKJM-MSXFZWOLSA-N 433.408 6.329 30 10 IKEE CCOc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2cccc(F)c2)cc1 526825762 KHXKXKDGWQJZHQ-PKAZHMFMSA-N 446.551 5.581 30 10 IKEE CCc1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(OC(C)C)cc2)cc1 586259901 RFNDWSQDRTXLBT-UHFFFAOYSA-N 434.561 5.303 30 10 IKEE CC(C)[C@@H]1CCCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 698453595 VBTCWLBEYGEFAF-SIKLNZKXSA-N 435.406 6.689 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(Br)c2c(c1)OCCCO2 698842185 IDMJTFCYRGKDGT-MRXNPFEDSA-N 439.350 5.068 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@H](C#N)c1c(F)cccc1Br 698883273 BYMZDCQHPIABEX-OAHLLOKOSA-N 425.323 5.652 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 698968824 WSQDNTVEDAVXLI-DEOSSOPVSA-N 432.495 6.411 30 10 IKEE Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(N=Cc3ccc(Br)cc3)cc1)N2 1084570924 AARNPXITCXVHCB-UMFSSWHCSA-N 443.388 7.335 30 10 IKEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1nc(O)c2sccc2n1 1539691277 RTSMPFWLEINVAT-UHFFFAOYSA-N 448.596 5.165 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=Nc1nccs1 1772724606 CTMYYQBBSCQGSS-OYBLBNEUSA-N 438.490 5.101 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=Nc1ccccn1 1772730545 BRVXUQNYRRAPAQ-SCORJZKRSA-N 444.343 6.272 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=Nc1cccc(C)n1 1772731995 TYRWQHDDZQUAGN-GIFQUSADSA-N 434.477 5.182 30 10 IKEE Cc1ccc(C(=O)C[C@H]2SC(=Nc3cccc(C)c3)N(c3cccc(C)c3)C2=O)cc1 1772760020 LHSQWRCVIHKVIU-XMMPIXPASA-N 428.557 6.021 30 10 IKEE Cc1nc(SCC(=O)Nc2ccccc2C#N)nc(O)c1-c1ccc(C(C)(C)C)cc1 1858517236 RRTCHHPFJWNRPO-UHFFFAOYSA-N 432.549 5.058 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc3c(OC(=O)Nc4ccc(F)cc4F)cccc23)c1 1858780326 VIWKGHVVQLHFHA-UHFFFAOYSA-N 443.409 5.853 30 10 IKEE CCCCCCCOc1cccc(NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c1 1860114812 ABECIFAGKSGNIU-LVZFUZTISA-N 443.587 7.267 30 10 IKEE CC(C)(C)c1csc(NC(=O)[C@H]2CCCN(C(=O)c3c(F)cccc3Cl)C2)c1C#N 1860653084 UEODGZRCYBEYGH-ZDUSSCGKSA-N 447.963 5.201 30 10 IKEE N#Cc1cccc(C(=O)N2CC=C(c3ccc(OC(=O)c4ccccc4Cl)cc3)CC2)c1 1860684786 MJJJHFBOJBFHMS-UHFFFAOYSA-N 442.902 5.360 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)COc1c(C)ccc(C)c1C 1861661984 HYHXNBYZSVNGHP-QHCPKHFHSA-N 432.649 5.532 30 10 IKEE N#Cc1ccc(NC(=O)c2cc(CCc3ccccc3)n(Cc3cccc(Cl)c3)n2)cc1 1862329188 IKIBOKGYACISQY-UHFFFAOYSA-N 440.934 5.494 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(Cl)cc2)cc1 1862392308 UJZUXVRTLBLBJK-HSZRJFAPSA-N 449.934 6.054 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1Cc1ccc(F)cc1 1862443648 SDKAXMWMZBUPGC-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccccc1C 1862443784 SUIIPUFLSVAHJZ-HSZRJFAPSA-N 439.983 6.587 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2cccnc2)cc1 1862444524 AHPCPKDJMRTYHS-JOCHJYFZSA-N 432.907 5.076 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1ccc(Cl)c(Cl)c1)c1c(F)cc(F)cc1F 1862467665 UHXDEKZHCRRZSB-KRWDZBQOSA-N 442.220 5.151 30 10 IKEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccccc2C)cc1 1862475698 SDTFITNQYVFBAN-RUZDIDTESA-N 441.527 5.133 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC(C)C)cc1 1862482081 JGGDGASQCBPLGG-XMMPIXPASA-N 434.580 5.466 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccccc2Cl)c1 1862491696 ZABCLUVTNTUPAZ-HOYKHHGWSA-N 445.946 6.296 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2c(F)cccc2Cl)c1 1862494283 JSFRYPBNEFQFFX-OAQYLSRUSA-N 439.870 5.467 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccc(OCCC)c1 1862495412 NLGHJYQIHPJAHO-DEOSSOPVSA-N 435.564 5.861 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccccc2F)cc1 1862528941 AFJDFTNDLWEPRD-XMMPIXPASA-N 429.491 5.209 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2cccc(F)c2)cc1 1862529500 HGMKVSJBRFOUKT-DEOSSOPVSA-N 429.491 5.475 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(C)cc1 1862543199 AMJBTHGKBCUESG-VWLOTQADSA-N 431.576 6.032 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2[C@H](C)c2ccccc2)c1 1862659961 GXOBAAXZKYSXIV-FQRUVTKNSA-N 439.555 6.458 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCCc3ccccc3)[C@@H]2c2ccccc2)cc1 1862687380 KGVOSSZJRFKOGE-RUZDIDTESA-N 441.527 5.296 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(OC)cc2)cc1 1862688804 BAICXAMPLICPGY-HSZRJFAPSA-N 435.520 5.005 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@H]2c2cccc(C)c2)c1 1862699927 ZLTSUXWYUKMFBE-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc([N+](=O)[O-])cc1 1862718348 YNSYHECUODSSSW-HSZRJFAPSA-N 444.487 5.372 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)cc1 1862727295 AETPXNVJFCLPME-QHCPKHFHSA-N 440.455 5.003 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(F)cc3Cl)C2=O)cc1 1862901391 LWEYNJTXSLSWPV-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3cccs3)C2=O)cc1 1863106236 DAMMMRZFFJBTAY-UHFFFAOYSA-N 427.529 5.314 30 10 IKEE N#Cc1cccc(N2C(=O)C(Nc3ccc(C(F)(F)F)cc3)=C(c3cccs3)C2=O)c1 1863113742 UVKDZKROJJZWQR-UHFFFAOYSA-N 439.418 5.035 30 10 IKEE N#Cc1ccccc1NC1=C(c2ccc(Cl)cc2)C(=O)N(CCCc2ccccc2)C1=O 1863180043 SBDFWSNCWQICJI-UHFFFAOYSA-N 441.918 5.036 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2F)=C(c2ccc(F)c(C)c2)C1=O 1863454438 QXSBYILQGZVVTL-UHFFFAOYSA-N 426.507 5.826 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2OCC)=C(c2cccs2)C1=O 1863470907 VAQBDZUJWDCKNW-UHFFFAOYSA-N 426.582 5.699 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(OCC)cc2)=C(c2cccs2)C1=O 1863471314 MYFONLQAGPZHBG-UHFFFAOYSA-N 426.582 5.699 30 10 IKEE CCC[C@@H](NC(=O)C[C@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1cccc(C#N)c1 1866777901 ZIHIIHPPZQNGKK-JWQCQUIFSA-N 443.522 5.143 30 10 IKEE Cc1nc(Nc2ccc(C#N)cc2)cc(N2CCC[C@H](C(=O)CCCc3ccccc3)C2)n1 1868494834 WSMKSLOVSNCYQG-QHCPKHFHSA-N 439.563 5.209 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC(Cc3ccc([N+](=O)[O-])cc3)CC2)nc(C(C)(C)C)n1 1869188966 DRORWODIITVWEA-UHFFFAOYSA-N 449.599 5.320 30 10 IKEE CCCCCCCCn1cc(OCC(=O)Nc2ccc(Br)cc2)c(=O)cc1C 1870086378 CUALLCSXQWVEHY-UHFFFAOYSA-N 449.389 5.297 30 10 IKEE CC(C)CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSCc1ccccc1 1870233389 MZGMRMSXDLLJFF-UHFFFAOYSA-N 432.589 5.778 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)OC(C)(C)C)c(=O)cc1CSCC 1870263437 CQKMVLNKNGVUFL-UHFFFAOYSA-N 439.662 5.963 30 10 IKEE C=CCn1cc(OCC(=O)Nc2ccc(C(C)(C)C)cc2)c(=O)cc1CSC(C)(C)C 1870313539 XUHZGRZQNFOWSC-UHFFFAOYSA-N 442.625 5.381 30 10 IKEE CCCCCCCOc1cn(CCCCN(CC)CC)c(CN2CCCCC2)cc1=O 1870411564 FPEWDFXWJSOZTG-UHFFFAOYSA-N 433.681 5.305 30 10 IKEE CCCCCCCCn1cc(OCC)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870788533 MMLURRJYOZDUIF-UHFFFAOYSA-N 447.623 6.963 30 10 IKEE CCCCCCCOc1cn(CCCOC)c(CNc2ccc(F)c(Cl)c2)cc1=O 1870830419 NVZOCJBLZBYSFN-UHFFFAOYSA-N 438.971 5.639 30 10 IKEE CCCCOCCCN1COc2c(cc3c(c2C)O/C(=C\C=C\c2ccccc2)C3=O)C1 1871356079 UJAJTKQVXMCPSD-DRFQBTNZSA-N 433.548 5.526 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OC(=O)Cc4cc(Cl)ccc4Cl)c3C)C2=O)o1 1871376568 RDAIXMDJMIVXQH-JAIQZWGSSA-N 443.282 5.968 30 10 IKEE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871376865 IFZYUBFMJKQOCS-QJYQMIDQSA-N 426.468 5.547 30 10 IKEE Cc1c(OC(=O)Cc2ccc(Cl)c(Cl)c2)ccc2c1O/C(=C\c1cccs1)C2=O 1871376956 MZXBEEVHAHEZSB-ODLFYWEKSA-N 445.323 6.128 30 10 IKEE O=C1/C(=C/c2ccc(Cl)c(Cl)c2)Oc2cc(OCCCOc3ccccc3)ccc21 1871397359 PCZOITLWJGASAZ-UCQKPKSFSA-N 441.310 6.458 30 10 IKEE Cc1cccc(OCCCCOc2ccc3c(c2C)O/C(=C\c2ccccc2C)C3=O)c1 1871403025 ATFWHGBPKXTABW-ITYLOYPMSA-N 428.528 6.466 30 10 IKEE Cc1ccc(OCCCOc2cc(C)c3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1 1871405980 ORDQEGRKAUIARZ-PKAZHMFMSA-N 442.555 6.891 30 10 IKEE Cc1c(OCc2c(Cl)ccc(Cl)c2Cl)ccc2c1O/C(=C\c1ccccc1)C2=O 1871428401 ZFIXVNJFLZQSKY-JAIQZWGSSA-N 445.729 7.150 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1cccs1)C2=O 1871431879 PPNAWHYVEIJQOK-WBRURWICSA-N 433.529 5.696 30 10 IKEE CC(=O)c1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O 1871441355 AOFXQAZGFDYLPI-FMCGGJTJSA-N 447.874 5.176 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4cccc5ccccc45)c3C)C2=O)o1 1871452686 NNNGMMPMFBGXKM-OYKKKHCWSA-N 439.467 5.683 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2cccc(F)c2)C3=O)c1C 1871459727 ZPSGZKFUXCYOIV-QRVIBDJDSA-N 431.463 5.385 30 10 IKEE CCCCCCCCN=c1nc(N2CCCCC2)[nH]c(=Nc2cc(Cl)ccc2C)[nH]1 1871513756 IMIKRMSPNSXJIV-UHFFFAOYSA-N 431.028 5.184 30 10 IKEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)c(C)c1 1871802663 DMWITKHDOVJPII-QFIPXVFZSA-N 449.016 5.249 30 10 IKEE C=CCN([C@@H](CCC)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872444323 BELSQANJEKZYGC-QHCPKHFHSA-N 442.625 5.411 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@H](C#N)C(=O)Cc2cccc3ccccc23)n1 1872783591 DIHMDRWIYKVREQ-HXUWFJFHSA-N 446.959 6.353 30 10 IKEE Cc1cc(C)c(-c2csc([C@H](C#N)C(=O)c3cccc(Oc4ccccc4)c3)n2)c(C)c1 1872785888 BJTULUYQUMQYMY-HSZRJFAPSA-N 438.552 7.018 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)Cc3ccc(Cl)c(Cl)c3)n2)cc1C 1872787502 KYLQSLXWLGZKEQ-INIZCTEOSA-N 445.371 6.161 30 10 IKEE CCCCCCCCNC1=C(c2ccc(OC)cc2)C(=O)N(C2CCCCCCC2)C1=O 1873142441 LJTAOMUEGKKSRN-UHFFFAOYSA-N 440.628 5.838 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2)C(=O)N(CCc2ccc(Cl)cc2)C1=O 1873161644 PTVPOYZDINLZTK-UHFFFAOYSA-N 438.999 5.613 30 10 IKEE CCOc1cc(/C=N/Nc2oc([C@H]3C[C@@H]3c3ccccc3)nc2C#N)ccc1OC(C)C 1873471275 YLVTUHITVZEMHW-QSHKUHANSA-N 430.508 5.449 30 10 IKEE C=CCn1c(C(=O)Nc2ccccc2C)cc2c(NCCCCCCCCCC)ncnc21 1873629367 YJWSIQQRVNGANA-UHFFFAOYSA-N 447.627 6.731 30 10 IKEE N#Cc1ccccc1NC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 1873868574 IMSSYQLDERZNNR-XMMPIXPASA-N 427.548 5.382 30 10 IKEE C=CCSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1ccc(F)cc1 1874198553 HIJJAJSOBMTDHM-OVVQPSECSA-N 446.551 5.742 30 10 IKEE CCSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(F)cc1F 1874204766 RWXVOXBFULQKRI-NUGSKGIGSA-N 443.306 5.436 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc(Cl)cc1 1874232180 QBJFBQSDJPOCLZ-JVWAILMASA-N 447.007 6.420 30 10 IKEE CCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc(Cl)c(Cl)c1 1874276245 BKIKEMVECGEPMD-FSJBWODESA-N 439.799 6.018 30 10 IKEE Clc1ccc(CCc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2)cc1 1874283513 LLTPKHJWUVYGRT-YZSQISJMSA-N 432.980 5.891 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccc(C)cc3)n2/N=C/c2ccccc2C)cc1 1874348067 UFKDOHYOOYEVDP-WPWMEQJKSA-N 442.588 5.669 30 10 IKEE Cc1ccccc1/C=N/n1c(CCc2cccs2)nnc1SCCc1ccccc1 1874371041 FXWPEQMPZSGLFE-XIEYBQDHSA-N 432.618 5.650 30 10 IKEE C=C(C)CSc1nnc(Cc2ccccc2F)n1/N=C/c1c(Cl)cccc1Cl 1874375876 RRVFFEPKFWDIPO-BHGWPJFGSA-N 435.355 5.865 30 10 IKEE Cc1ccccc1/C=N/n1c(CCc2ccccc2)nnc1SCc1ccc(F)cc1 1874399052 WUVMRYIHKBCJHN-WPWMEQJKSA-N 430.552 5.685 30 10 IKEE CCOc1c(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2)cccc1OC 1874427784 AOTYIODCGBNPKE-YZSQISJMSA-N 444.560 5.527 30 10 IKEE Clc1ccccc1/C=N/n1c(SCc2ccccc2Cl)nnc1-c1ccccc1 1874428459 KADSDWMEKDAOQU-AFUMVMLFSA-N 439.371 6.426 30 10 IKEE FC(F)(F)c1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1cccs1 1874461874 GECQOGMEHUJNDX-QPSGOUHRSA-N 437.299 5.840 30 10 IKEE Fc1cccc(Cl)c1/C=N/n1c(SCc2ccc(Cl)cc2)nnc1C(F)(F)F 1874462654 YYDYORNEZZUQKI-KTZMUZOWSA-N 449.260 5.917 30 10 IKEE Cc1ccccc1NC(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1ccc(Cl)cc1 1874482561 HEVHYPGNYPLHQH-ZMOGYAJESA-N 441.988 5.150 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2sccc2C)c1 1874489292 KKNVPINVFWRCTA-FSJBWODESA-N 441.626 5.076 30 10 IKEE CCCSc1nnc(CC(C)C)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1874491086 YUKQFUGZGCCANN-MFKUBSTISA-N 443.016 6.093 30 10 IKEE CCCc1nnc(SCc2cccc(F)c2)n1/N=C/c1c(OC)ccc2ccccc12 1874503359 DNHDFMASFUWXHQ-CVKSISIWSA-N 434.540 5.706 30 10 IKEE Clc1ccccc1/C=N/n1c(SCc2c(Cl)cccc2Cl)nnc1C1CC1 1874520505 HXBPRPCWASFHGW-AUEPDCJTSA-N 437.783 6.290 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/n2c(S)nnc2CCCC)c(Cl)c1 1874559180 BQVGACDFYFWQSY-JJIBRWJFSA-N 437.053 6.574 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2cccc3ccccc23)cc1F 1874582208 CPHQFPAMDPWZAP-FYWRMAATSA-N 442.486 6.471 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(C)c(C)c2)c1OCc1ccc(Cl)cc1 1874588663 XORQJWGFFFZDLS-DHZHZOJOSA-N 441.354 7.094 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cc(Cl)ccc1OCC(=O)OCC(C)C 1874590528 MIZBRUMATLNCDJ-DHZHZOJOSA-N 442.983 6.420 30 10 IKEE CCc1ccccc1NC(=O)COc1cccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)c1 1874598497 OYEMYYZZZIKSOV-FYWRMAATSA-N 443.543 5.788 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cccc(C)c3C)c(Cl)c2)c1 1874604998 COYFSTIQVKKFRW-ZRDIBKRKSA-N 449.934 5.879 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1C 1874606676 AGSYEAKZTIILIH-DHZHZOJOSA-N 435.907 5.571 30 10 IKEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccccc3Cl)cc2[N+](=O)[O-])o1 1874608803 IFZVZXFTEBEBKS-RMKNXTFCSA-N 441.823 5.103 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OCC(=O)NC1CCCCC1 1874614871 UYIDXISFLUUEJA-BUHFOSPRSA-N 441.955 5.463 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OCc1ccc(C(=O)OC)o1 1874624188 QAIWHJCHRDVYTQ-AWNIVKPZSA-N 448.515 6.063 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc1 1874636882 XHILFSGFFPPWNK-NTCAYCPXSA-N 443.543 5.788 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(F)cc3)c2)cc1 1874695793 SDRXFHRRTICBCM-LZYBPNLTSA-N 432.491 6.292 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1cccc(/C=C/C(=O)c2cccc(Cl)c2)c1 1874699504 YKIFJDLQNROOAZ-CCEZHUSRSA-N 426.899 6.537 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(Br)cc3)c2)cc1 1874710323 WVTIQOMXZPJBCA-GIDUJCDVSA-N 449.344 6.688 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cccc(F)c3)c2)c2ccccc12 1874718851 ZJZHFOAQJNLYON-WYMLVPIESA-N 426.443 6.103 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3ccc(/C=C/C(=O)c4ccc5ccccc5c4)cc3)c(C)c2c1 1875096405 MSBPTHHULKZKLS-MHWRWJLKSA-N 445.518 7.053 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(Cl)c1OC(=O)[C@H]1CCCO1 1875097167 XYFGKIHNFCYZQL-YVWYTEFXSA-N 440.923 5.208 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OCC 1875120036 YWTOMPCQYPGPET-FBMGVBCBSA-N 438.564 6.646 30 10 IKEE O=C(COc1cc(F)ccc1F)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1Cl 1875128277 USRBMAZNXVXAAV-UXBLZVDNSA-N 428.818 5.499 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2Cl)cc1 1875133217 KMPDTXCJVROSGH-RIYZIHGNSA-N 434.919 6.091 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cnc(C)cn3)c(Cl)c2)cc1 1875137468 NTLAVVLGOZFLKT-ONNFQVAWSA-N 436.895 5.343 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1)c1cc(Cl)ccc1Cl 1875154015 KCKNIQBNANRQFX-XNTDXEJSSA-N 447.317 7.262 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)C3CCCC3)c(Br)c2)cc1 1875155634 MKOMCOYVKMJBOJ-NTUHNPAUSA-N 441.365 6.564 30 10 IKEE CCc1ccc(C(=O)Oc2c(OC)cc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2OC)cc1 1875175641 ZKHLVNUMNVHWGU-GXDHUFHOSA-N 444.527 5.998 30 10 IKEE COc1ccccc1C(=O)Oc1c(OC)cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OC 1875175656 ZXIDXDVBMVYFHF-ACCUITESSA-N 446.499 5.445 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc(OC)c1OC(=O)C1CCC1 1875190486 NNVBVYUUMMGHOO-ACCUITESSA-N 446.499 5.467 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N1C[C@H](C)C[C@@H](C)C1)n2CCC 1875205666 XYGQXOPRSAGQRJ-WOJBJXKFSA-N 427.637 5.732 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)CCc3ccc(C(F)(F)F)cc3)cc21 1890620575 QKGDMKJIKQDQQI-UHFFFAOYSA-N 446.469 5.214 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)CCCSCc3ccccc3)cc21 1890711536 FTOIIOHCSQLTMB-UHFFFAOYSA-N 438.593 5.276 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cccc(Oc4ccccc4)c3)ccc21 1891317503 UBDODFZAAANVES-UHFFFAOYSA-N 442.515 5.669 30 10 IKEE CCCCCCC[C@](C)(O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1917173713 HUABBMWAKHAKLP-BVAGGSTKSA-N 439.552 5.090 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1[C@H]2CCCCN(C(=O)OC(C)(C)C)[C@@H]12 1922105864 ZNBJQZSERUILIQ-NAVOZUGXSA-N 428.617 5.163 30 10 IKEE CCCCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C(=O)O)C1CC1 1979596529 UFBCMAASQPMPKZ-FTJBHMTQSA-N 449.591 6.365 30 10 IKEE CC(C)(C)OC(=O)NCCC1CC(C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)C1 2007658357 ZTCHTQLQVCPKCV-UHFFFAOYSA-N 449.979 5.669 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1c1ccc(Nc2cc(Br)cc(C#N)c2)cc1 2162387070 JHXIPUQOEHLSBD-OALUTQOASA-N 428.330 5.445 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)Nc2cccc(F)c2C#N)c1 2181045461 MRBXPINFOOCZQB-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(F)c(Br)c(F)c1 2207154637 QATBPYQLWRPYSF-WMZOPIPTSA-N 445.348 5.075 30 10 IKEE CCCN[C@H](C#CC(C)(C)C)c1ccc(Br)cc1I 2225433970 NNTBEZMXYPODCD-OAHLLOKOSA-N 434.159 5.144 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)C1=CCC(F)(F)CC1 2237397684 FNFUIXZLXWDSLL-INIZCTEOSA-N 444.316 5.200 30 10 IKEE CC#CCC[C@H](NCCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237413921 OEJHZLIUQFSWOB-VQTJNVASSA-N 437.422 5.057 30 10 IKEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 2261832686 QVXDIXFORIOKSB-MVVJZGTDSA-N 436.548 5.005 30 10 IKEE Cc1c(Cl)cccc1N=C1NC(=O)C(=Cc2cc(C)n(-c3ccc(C#N)cc3)c2C)S1 2293861287 UZZCPPWEQNVDDW-UHFFFAOYSA-N 446.963 5.819 30 10 IKEE Cc1cccc(N2C(=O)C(=C3Sc4ccccc4N3C)SC2=NCc2ccccc2)c1 2295178672 MICJGFDZXCOTBN-UHFFFAOYSA-N 443.597 6.042 30 10 IKEE CN[C@H](C#Cc1ccc(Br)cc1)c1ccc(NC(=O)OC(C)(C)C)c(F)c1 2296306308 FQNHIGAPOPSWRP-GOSISDBHSA-N 433.321 5.247 30 10 IKEE Cc1ccc(-c2ccc(C=CC(=O)c3ccc(-c4ccc(C)c(Cl)c4)o3)o2)cc1Cl 2296818165 SODJNMUBRYUUIM-UHFFFAOYSA-N 437.322 8.026 30 10 IKEE CC(C)(C)OC(=O)NC1([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)CCCC1 2302428982 PXOXRKIRXUWLQG-GOSISDBHSA-N 449.979 5.811 30 10 IKEE CC(=C1SC(=Nc2nnc(C)s2)N(C2CCCCC2)C1=O)c1ccc([N+](=O)[O-])cc1 2314547072 CGSVOWPIBSQQQF-UHFFFAOYSA-N 443.554 5.082 30 10 IKEE Cc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2cccc(Cl)c2)o1 2318571856 UNFMVFXFTBCIMM-UHFFFAOYSA-N 436.968 5.793 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@]2(C)CCCCN2C(=O)OC(C)(C)C)cc1 2318947156 RCVPRHMENPAMRY-NBGIEHNGSA-N 443.588 5.808 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]2C)c1 2321344756 MLICLKPBRFMECH-WYEJZRMESA-N 443.588 5.664 30 10 IKEE Cc1cc(OCC=Cc2ccccc2)cc2c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O2 2321817770 CICGAQCQMOZUKJ-UHFFFAOYSA-N 437.322 7.010 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(Cl)cc1)O3)CN(Cc1ccc(F)cc1)CO2 2322052153 ZBTNJNWJTIRIEK-UHFFFAOYSA-N 435.882 5.756 30 10 IKEE O=C1C(=Cc2c(F)cccc2Cl)Oc2c1ccc1c2CN(CCc2cccs2)CO1 2322193413 NKOVILFDDGSCMP-UHFFFAOYSA-N 441.911 5.551 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc4c3CN(C35CC6CC(CC(C6)C3)C5)CO4)C2=O)c1 2322238603 OTNDOGGZERBXOP-UHFFFAOYSA-N 427.544 5.732 30 10 IKEE COc1ccccc1CN1COc2c(cc3c(c2C)OC(=Cc2cccc(C)c2)C3=O)C1 2322319007 WTJGZYNDRNZPAD-UHFFFAOYSA-N 427.500 5.280 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(Br)cc2)c1OCCc1ccccc1 2322427865 WNWFLASXESWMGX-UHFFFAOYSA-N 437.333 5.975 30 10 IKEE CC(=O)Nc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)c1 2322959100 CCCZFBWJHVSMHU-UHFFFAOYSA-N 433.847 5.134 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCc2ccccc2Cl)c(OC)c1OC 2323028744 OAPIWCXKZZANIX-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc(C)c3C2=O)cc1 2323336062 ZVRCOUUOCXVRFZ-UHFFFAOYSA-N 443.455 5.609 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OC(=O)c4c(F)cccc4Cl)ccc3C2=O)cc1 2323353117 LLEWYWYYGFEBAE-UHFFFAOYSA-N 438.838 5.713 30 10 IKEE CCn1cc(C=C2Oc3cc(OC(=O)CC4CCCCC4)ccc3C2=O)c2ccccc21 2323485465 LCNSMMSDPCSPMQ-UHFFFAOYSA-N 429.516 6.153 30 10 IKEE CCCCCCCCCOc1ccc(C=Nn2c(S)nnc2C(CC)CC)cc1OC 2323485538 VJAPJLKVAZPZPF-UHFFFAOYSA-N 446.661 6.491 30 10 IKEE Cc1c(OC(=O)CC2CCCCC2)ccc2c1OC(=Cc1c(F)cccc1Cl)C2=O 2323486001 SWZICVAGTOAXCK-UHFFFAOYSA-N 428.887 6.280 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)cc(Cl)c1OCc1cccc(F)c1 2323499448 JVHBJTGHLPTRCR-UHFFFAOYSA-N 440.898 6.362 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)cc1C 2323557714 UJWNECDIRRJJJE-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(C=CC(=O)c3ccccc3Cl)cc2Cl)c1 2323603331 PNCJPQNGCBOAIV-UHFFFAOYSA-N 440.326 6.215 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Cl)c1OCc1cccc(F)c1 2323975035 OJBVZGVICUPVJD-UHFFFAOYSA-N 442.889 6.800 30 10 IKEE O=C1C(=Cc2cccnc2)Oc2c1ccc(O)c2CN(Cc1ccccc1)Cc1ccccc1 2324055007 CYJMDBJQDOJAOF-UHFFFAOYSA-N 448.522 5.606 30 10 IKEE Cc1c(OCCc2ccccc2)ccc2c1OC(=Cc1c(Cl)cccc1Cl)C2=O 2324283004 YJOWJBQHPDUWQQ-UHFFFAOYSA-N 425.311 6.540 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2)C3=O)cc1Cl 2324354018 TVISVNOYRJDCBX-QGZVFWFLSA-N 447.918 5.979 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OCC(=O)Nc2cccc(C)c2C)cc1 2324358610 OGAPCPGDDPPROK-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc(OCCOc3ccc(C)cc3)c2C)C1=O 2324538810 GDJFLQRWMHYACA-UHFFFAOYSA-N 430.500 5.776 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(OCCOc4ccc(C)cc4)c3C)C2=O)cc1 2324538894 VNZKDQPKETZUBY-UHFFFAOYSA-N 430.500 5.776 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2ccc(OCc3ccc(F)cc3)cc2)cc1Cl 2324589080 GLQBBXSMLCPDPM-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE CCOc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2sccc2C)C3=O)cc1 2325705067 RUFYAYCJLIKLTH-UHFFFAOYSA-N 435.501 5.089 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2OC)cc1OC(=O)c1ccc(C(C)(C)C)cc1 2325723154 PYXQEARBUIGKRX-UHFFFAOYSA-N 444.527 6.117 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(OCC)cc3)c2)cc1 2325739374 PRRAVPFOWVRAHO-UHFFFAOYSA-N 430.500 5.989 30 10 IKEE Cc1ccc2oc(=O)cc(COc3ccc4c(c3)OC(=CC=Cc3ccccc3)C4=O)c2c1 2325741406 QOUPYQLESQLPBX-UHFFFAOYSA-N 436.463 5.853 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCc4cc(=O)oc5ccc(C)cc45)c3C)C2=O)cc1 2325741756 ZRJBKCZMKGRROV-UHFFFAOYSA-N 438.479 5.913 30 10 IKEE COc1ccc(C(=O)Oc2cccc(C=CC(=O)c3cc(Cl)ccc3Cl)c2)cc1 2325773736 DXDKOMCYZIVJFE-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1c(C)n(C)c2ccccc12 2326417983 GNGLVIBEAJOTHL-UHFFFAOYSA-N 445.636 6.212 30 10 IKEE CCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1cn(C)c2ccccc12 2326991871 NATQCOUUDKKHMJ-UHFFFAOYSA-N 433.581 5.084 30 10 IKEE CCCCCOc1ccc(C=Nn2c(COc3ccccc3OC)nnc2SC)cc1 2328218798 DQZMFIBNLSWGGD-UHFFFAOYSA-N 440.569 5.039 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3F)n2N=Cc2ccco2)c(C)c1 2328897911 QTPDVUZBBMFVDT-UHFFFAOYSA-N 436.512 5.381 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@@H](NC(=O)C=Cc3ccc(F)cc3)C2)c1 2329208017 ITVGZILXQUJBPK-XMMPIXPASA-N 449.570 5.098 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCCc2ccccc2)n1N=Cc1ccc(F)cc1F 2330111104 QZRZHZCQZKIJIS-GOSISDBHSA-N 448.542 5.925 30 10 IKEE CCc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCCc2ccccc2)cc1 2330275665 RFHPRUKSJNJYIX-UHFFFAOYSA-N 432.637 6.180 30 10 IKEE Clc1ccccc1C=Nn1c(CC2CCCCC2)nnc1SCCc1ccccc1 2330275982 MRPNJEJWPMQHLE-UHFFFAOYSA-N 439.028 6.271 30 10 IKEE CCCCCOc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCCC)cc1 2330282638 GKAZZPAGAYDCAX-UHFFFAOYSA-N 428.646 6.354 30 10 IKEE COc1cc(C=Nn2c(SC)nnc2-c2ccccc2)ccc1OCc1ccccc1 2330623577 JMJPBNIDXUQSJI-UHFFFAOYSA-N 430.533 5.137 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(CC)cc2)cc(OC)c1OC(=O)CCCCCC 2330770140 QFMDDXPEINUFDV-UHFFFAOYSA-N 434.576 6.758 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)C3CC3)c(OCC)c2)cc1 2330835186 DQFUVURURVKBBP-UHFFFAOYSA-N 426.940 6.293 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2C(F)(F)F)cc1 2331108883 JGSZZSUCITXDKZ-UHFFFAOYSA-N 434.487 5.569 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2Cl)cc1 2331143900 FPZXRVOONPSHMJ-UHFFFAOYSA-N 425.311 6.671 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)[C@@H](C)Oc1ccc(Cl)cc1 2331183577 ICIGJWBDDASCQC-QGZVFWFLSA-N 436.891 5.618 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccco3)n2N=Cc2ccccc2)cc1Cl 2331226601 XARCIMSWMHCSAK-UHFFFAOYSA-N 429.332 6.019 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1ccc(OC)cc1 2331370171 JDEKLOFEMWVXLR-UHFFFAOYSA-N 446.499 5.526 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(CC(C)C)nnc1SCc1cccc(F)c1 2331443237 AYBGWNVOPKTDJN-UHFFFAOYSA-N 448.567 5.952 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2OC)c1 2331510560 WDQDOPVQVPFEGF-UHFFFAOYSA-N 444.527 6.333 30 10 IKEE COCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1cccc(Cl)c1 2331611866 RIOFZPXLQMLKMM-UHFFFAOYSA-N 441.771 5.559 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccccc2F)c(Cl)c1 2331662057 WGKVULGIPMBWAJ-UHFFFAOYSA-N 438.882 6.220 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3C)c([N+](=O)[O-])c2)cc1C 2331707385 ZBPVCCQDAZMOPY-UHFFFAOYSA-N 443.499 5.954 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3cc(C)c(OC)cc3C)cc2)cc1 2331835331 NLIDZADKIIJPEE-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE CC1=C[C@@H](C(C(=O)C=Cc2ccc(O)cc2)C(=O)C=Cc2ccc(O)cc2)[C@H](C(C)C)CC1 2333248780 XPEWDUSWUQJRDO-YTUWVCBBSA-N 444.571 6.207 30 10 IKEE CC[C@@H](C[C@@H](C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339578819 MTVOOFSDOVOIKR-WXVNRZFOSA-N 446.397 5.187 30 10 IKEE CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339582429 QEKKSUSBKXDKRO-CXISOLTFSA-N 446.397 5.187 30 10 IKEE CO[C@@]1(C)C[C@H]2C[C@@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2356214881 BCYKYHBRSFRDEJ-SORVUCRQSA-N 435.362 5.288 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)cc(COC)c1 2362299563 LFUYRTOEOBOQAH-MOPGFXCFSA-N 441.410 5.106 30 10 IKEE O=C1/C(=C\c2cccc([N+](=O)[O-])c2)Oc2cc(OCc3ccc(F)cc3Cl)ccc21 1312594 SJUZXOHAUYSXKW-ZVBGSRNCSA-N 425.799 5.583 30 10 IKEE C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2)nc2scc(-c3ccccc3)c2c1=O 9041771 LIGOPBSQBGVZPK-INIZCTEOSA-N 447.585 5.430 30 10 IKEE Cc1cc(C)c(NS(=O)(=O)c2ccc(/N=C/c3c(O)ccc4ccccc34)cc2)c(C)c1 12583258 LULXKKKNVFVUIH-JVWAILMASA-N 444.556 6.022 30 10 IKEE O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccc(Cl)cc1)Nc1ccccc1N2 20883484 ZNGDUZVIZVAEQX-SSOJOUAXSA-N 435.354 6.973 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(C(C)(C)C)cc2)C3)cc1OC 21258364 PEMKTDXSIIKAJE-CTNGQTDRSA-N 447.575 5.396 30 10 IKEE CCOc1ccc2oc(C)c(C(=O)Oc3cccc(/C=C/C(=O)c4ccc(C)cc4)c3)c2c1 34954965 JPBLHVPJDQPDPR-GXDHUFHOSA-N 440.495 6.564 30 10 IKEE C=CCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCOC(C)C)c1 39839402 HXDYKFQBOZDWBL-DEOSSOPVSA-N 447.531 5.027 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccc(OCCC)cc1 40095915 ZNINCBFQFQMZPT-XDHUDOTRSA-N 449.547 5.177 30 10 IKEE C=CCc1ccc(OCCn2c(Cc3ccccc3Cl)nc3ccccc32)c(OC)c1 40225730 FMFUMHBPLHVKIZ-UHFFFAOYSA-N 432.951 6.097 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(C)cc4)c3C)C2=O)cc1OC 41284178 BNCSXSYZACXNDA-UCQKPKSFSA-N 430.456 5.156 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(C(C)C)cc1)C3=O)CN(Cc1ccncc1)CO2 41587232 YHVQUEOBLDHKEP-MSXFZWOLSA-N 426.516 5.482 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN(Cc2ccccc2)C3)C1=O 41587421 XIYXBADXHQYKGC-OYKKKHCWSA-N 427.500 5.362 30 10 IKEE CCCCCCCOc1ccc(NCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 100077417 BMUCYDZPWVDQRY-UHFFFAOYSA-N 446.591 6.665 30 10 IKEE CCCCCCCOc1ccc(NC(=S)NC(=O)/C=C/c2ccccc2OC)cc1 100155596 QHCRFJQZSWFKRV-SFQUDFHCSA-N 426.582 5.571 30 10 IKEE Cc1nc(N2C(=O)C(=O)/C(=C(\O)c3cccs3)[C@@H]2c2ccc(Cl)cc2)sc1C 103097863 QFQZHKKLTOPBNJ-SCDSTIRESA-N 430.938 5.101 30 10 IKEE CCCCCCCN1C(=O)[C@@H](CC)Oc2ccc(-c3csc(-c4ccccc4)n3)cc21 103748900 FXDFMIXTEVLIQW-HSZRJFAPSA-N 434.605 6.952 30 10 IKEE CCCCCCCCN(CCCCCCCC)C(=O)Cc1ccc(OCC)c(OCC)c1 104777868 BCWQUAJGJNBIFU-UHFFFAOYSA-N 447.704 7.576 30 10 IKEE CCCCCCCCCCC[C@@H](NC)c1cc(Br)sc1Br 115856487 NYKXFSSMYQHFRZ-OAHLLOKOSA-N 439.301 7.455 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2cc(C)ccc2C)cc1 169924674 NAENZUAEESYNQO-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccccc2)cc1 169975042 WFDDYJCFEZCASG-AREMUKBSSA-N 439.555 6.086 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2cccs2)cc1C 169988174 RVOBPJBAYYLIGC-HXUWFJFHSA-N 425.456 5.426 30 10 IKEE CCCCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccccn2)cc1 169993564 NFSWPSDNDSQXNL-QHCPKHFHSA-N 446.934 5.861 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccnc2)cc1Cl 170008888 HKCOCWOGFINFDR-QFIPXVFZSA-N 444.874 5.573 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(OC)cc2)=C(N2CCc3ccccc3C2)C1=O 170030489 AMJXISMYBKKIMY-UHFFFAOYSA-N 446.591 5.194 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(O)c(Cl)c2)c1 170040670 KBAYJEDHRXEFJY-JOCHJYFZSA-N 449.890 5.227 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2ccc(F)cc2)cc1 170060580 PRCJTZQOBVOZHA-HSZRJFAPSA-N 431.463 5.180 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccccc1F)c1cccc(Cl)c1 170072414 ALCGIGCYEYHKME-OAQYLSRUSA-N 439.845 5.397 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(OC)c(OC)c1 170126371 PUAKPJXOBFFFEI-XMMPIXPASA-N 445.515 5.235 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cccc(C)c1 170148758 KVUZIHWSNWRQHH-NRFANRHFSA-N 439.939 5.486 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(C(C)(C)C)cc1 170149842 CLUPEFJGLFJGMO-RUZDIDTESA-N 441.571 6.516 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1ccccc1OC(C)C 170151146 QXADXAKBSICBAL-HSZRJFAPSA-N 437.536 5.249 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccs2)cc1 170159258 BLOZSMHABXMJDE-HSZRJFAPSA-N 447.556 6.100 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccncc2)c1 170199899 RPWHYBOPBHJDJD-HSZRJFAPSA-N 446.478 5.038 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccncc2)cc1C(C)C 170203306 LVMHJKOAHAIVPR-XMMPIXPASA-N 442.515 5.305 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccncc1)c1ccc(Cl)c(Cl)c1 170209390 YMIUFAVDNBPVKZ-IBGZPJMESA-N 431.319 5.299 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2CCC)cc1 170215781 VSYAEMTWDIGODS-DEOSSOPVSA-N 449.591 6.070 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2)c1 170221665 HBEWSFQYMIIMMX-JOCHJYFZSA-N 433.529 5.314 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(C)c4)[C@H]3c3ccccc3)oc12 170224164 XTOGJMMJUQTXDW-QHCPKHFHSA-N 439.467 5.533 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccc(F)cc2)c1 170238859 NWDQAMNYPQIFHU-VWLOTQADSA-N 441.502 5.796 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(F)cc2)ccc1Cl 170239425 KGOXNHGFTANSIR-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@@H]1c1ccc(F)cc1 170243166 SHFPOOYNUSQBLL-FQEVSTJZSA-N 431.891 5.256 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@@H]1c1ccc(CC)cc1 170268441 PKFXOSHKMAWQMI-QFIPXVFZSA-N 425.500 5.165 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccco1)c1ccc2ccccc2c1 170286711 MMDXOLIWOOCURP-QFIPXVFZSA-N 429.859 5.869 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccco2)cc1Cl 170288336 IUTZLWGJJKFPAH-LJQANCHMSA-N 428.271 5.678 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccc(C)o2)c1 170300029 OSSYQOUHVGJLGF-RUZDIDTESA-N 437.495 6.141 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C(C)(C)C)ccc3C)[C@H]2c2ccc(C)o2)cc1 170303903 RESODKQECFYMOX-XMMPIXPASA-N 443.543 6.285 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2sccc2C)c1 170313489 MGOPBKUFUZLJMK-FQEVSTJZSA-N 437.492 5.377 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1sccc1C 170315536 QCTIXTAHPNRNLF-QFIPXVFZSA-N 447.556 5.935 30 10 IKEE CCOc1cc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2cccc(C)c2C)ccc1OC 170440451 ZNINIKDASLGDIZ-DEOSSOPVSA-N 437.536 5.226 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@H]2c2ccc(N(CC)CC)cc2)cc1 170452817 QSJPESSDFHKQQK-RUZDIDTESA-N 434.580 5.610 30 10 IKEE CC(C)=CCC/C(C)=C\CC/C(C)=C\CC[C@@](C)(O)CCC1=C(C)C(=O)C(C)=C(C)C1=O 203588470 LNOVHERIIMJMDG-SAOMPGFLSA-N 440.668 7.522 30 10 IKEE COc1cc(Nc2nc(SC)nc(-c3cccc(Cl)c3)c2C#N)cc(OC)c1OC 243230070 KMJZJVPNEMADDI-UHFFFAOYSA-N 442.928 5.160 30 10 IKEE C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(C)c2C)SC1=Nc1ccc(C)c(Cl)c1 252617476 KTPDPPXJUVXQGD-HXUWFJFHSA-N 441.984 5.412 30 10 IKEE CCOc1ccc(N=C/C(=C\Nc2ccc(OCC)cc2)c2ccc([N+](=O)[O-])cc2)cc1 254818051 FSEDIKOTDROGPS-OIUJJUGWSA-N 431.492 6.248 30 10 IKEE Oc1ccccc1-c1nc(NN=Cc2c(F)c(F)c(F)c(F)c2F)c2ccccc2n1 263626133 NZJBGEBULXMVSU-UHFFFAOYSA-N 430.336 5.144 30 10 IKEE C=CCCCCC[C@@H](NCCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 406316532 PBRVVQMENKWAQU-LJQANCHMSA-N 439.438 6.973 30 10 IKEE CC#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C[C@H](O)CCC4=C3[C@H](c3ccc(N(C)C)cc3)C[C@]21C 504752428 AYNSZTKDERUHKJ-LXMHXOKFSA-N 431.620 5.198 30 10 IKEE biogenic COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2c(C)n(C)c3ccccc23)c1 526487820 ADPDMOJUZUCIHL-AREMUKBSSA-N 449.510 5.424 30 10 IKEE CN(C)c1ccc([C@H]2C(c3cccc4ccccc34)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526492627 YHVGHVXMCYOUIT-MHZLTWQESA-N 445.522 5.835 30 10 IKEE CCOc1cccc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)c1 526515539 JDNILPWRCGBDMT-QHCPKHFHSA-N 430.891 5.668 30 10 IKEE Fc1cccc(Cl)c1/C=N\n1c(Cc2ccccc2)nnc1SCc1ccccc1 526799340 FNMWBSHCQCYUIO-YSMPRRRNSA-N 436.943 5.836 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1/N=C\c1ccc(OC(C)(C)C)cc1 526803611 CTCKMQNTWGOQSE-QQXSKIMKSA-N 440.588 6.112 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1cccc(Br)c1 526805181 IBUHVMHFPLBXRQ-XKZIYDEJSA-N 429.387 5.476 30 10 IKEE COc1ccc(/C=N\n2c(C)nnc2SCc2ccc(C)cc2C)cc1Br 526810636 DUBYPGYJQQBAAF-JJFYIABZSA-N 445.386 5.149 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccccc1C(F)(F)F 526816789 NGWAGBHVMSMGFT-ROTLSHHCSA-N 438.906 6.077 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1ccccc1OCC(C)C 526823895 ZMURYIJZDGNEAW-MYKKPKGFSA-N 449.407 6.103 30 10 IKEE C=CCCN(C(c1ccccc1)c1ccccc1)S(=O)(=O)c1cc(C)c(C)cc1OC 586164134 SMNRMWBOZNYQHS-UHFFFAOYSA-N 435.589 5.668 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCc3c(Br)cccc32)c1 698417559 JEXOUKUXIWYMSA-JOCHJYFZSA-N 427.342 5.864 30 10 IKEE CC(C)[C@H]1CC[C@@H](C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 698459218 VSRJUWUMJPSPBF-YVHKJVDXSA-N 435.406 6.545 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCc2c(F)cccc21 698471870 WPJKEZFYFQRRGK-OAQYLSRUSA-N 431.305 5.695 30 10 IKEE C[C@@H]1C[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C 698909843 LFTXZNSEVJHMBY-OPAMFIHVSA-N 435.590 5.167 30 10 IKEE COc1cccc(C=Nc2nc(-c3ccc(C)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)c1 1084530434 ARKLOOIYWVBLTR-UHFFFAOYSA-N 429.501 6.453 30 10 IKEE CCCN(CC1CC1)/C(=N/Cc1cc(Br)ccc1F)Nc1ccccc1O 1088735430 OWGHBIILJXFKLN-UHFFFAOYSA-N 434.353 5.384 30 10 IKEE Cc1ccccc1[C@@H]1[CH]S/C(=N\CC(=O)N(c2ccccc2)C(C)C)N1c1ccccc1 1615062514 BHOVXQFNYYCOHA-DEVZUPFRSA-N 442.608 6.249 30 10 IKEE Cc1c(N=Nc2ccc([N+](=O)[O-])cc2Cl)c(O)n([C@@H](C)c2ccccc2)c(=O)c1C#N 1772741247 BSGIPVOUCPAYNY-ZDUSSCGKSA-N 437.843 5.320 30 10 IKEE CCOc1cccc(/C=C/C(=O)C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1 1860728283 GPYRRGCMQURNQR-RIYZIHGNSA-N 442.540 5.891 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)CCc1ccc(C)c(C)c1 1861090998 CMGNZRRKJCRYJO-RUZDIDTESA-N 430.677 6.168 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 1861552806 BSAFLJNQTBBDII-APVBZNQZSA-N 442.644 5.042 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 1862396340 HEOPTYUWWBEREB-DEOSSOPVSA-N 433.592 6.315 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccc(OC)c(OC)c2)cc1 1862397663 MWRJHGMDBHCSHF-QHCPKHFHSA-N 437.536 5.033 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2[C@@H](C)CC)c1 1862406240 YWRABKMPLWCQGQ-SBUREZEXSA-N 437.536 5.169 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2cccs2)c1 1862412905 PYPSFSBCYRPNKO-HXUWFJFHSA-N 425.456 5.113 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2cc(C)ccc2C)c1 1862429258 JGBLDVKJRYPKKC-DEOSSOPVSA-N 445.946 6.044 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc(F)c1 1862431093 ZJZMMPUBWOAHGB-RFVSGWPVSA-N 427.903 5.636 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccccc1Br 1862453268 VZLYBHJWDLTQRF-KPZWWZAWSA-N 448.744 5.479 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccccc2C)cc1 1862475319 ISUAFDMHOFFFPQ-XMMPIXPASA-N 429.491 5.264 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc(Cl)c1 1862477145 SSEWXGCTSCHAKI-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1862477208 UKFABFXPJLNBGC-QHCPKHFHSA-N 437.536 5.345 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1cccc(Cl)c1 1862527239 SRWWFOJCARKCIR-KZULUSFZSA-N 448.744 5.479 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1cccc2ccccc12 1862531656 RILHBYMHBKIOFF-VWLOTQADSA-N 427.544 6.171 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1cccc(O)c1 1862533846 OZCONEOBVLJOFI-DEOSSOPVSA-N 435.564 5.893 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CC(C)C)cc1 1862582991 QMLCQWLALYUNFB-HXUWFJFHSA-N 448.346 5.626 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2Cl)cc1F 1862640175 FFGZCFKMOVBFEF-OAQYLSRUSA-N 443.902 5.399 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C(C)C)cc3)[C@@H]2c2ccc(O)cc2)c1 1862661041 BVABXOPHUSYTHP-VWLOTQADSA-N 441.527 5.603 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(O)cc1 1862662738 LOUVLEJUCYHSFO-RDGATRHJSA-N 449.591 6.453 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2[C@@H](C)CC)ccc1O 1862668540 BIJSJKWRUYYIBI-QMHKHESXSA-N 437.536 5.291 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc(O)c1 1862713648 SNIUUTYGJKMGJC-QYBDOPJKSA-N 449.506 5.885 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CC)cc1OCC 1862719948 UHWBTYVBQSLYQN-DEOSSOPVSA-N 445.515 5.235 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2CCOC)cc1 1862723882 GVUGUYJZAXOTQM-RUZDIDTESA-N 441.527 5.141 30 10 IKEE Cc1ccc(C2=C(Nc3cccc4ccccc34)C(=O)N(c3ccccc3C#N)C2=O)cc1C 1862885237 OFNWSPWWRHIRFV-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccc(Cl)cc3)C(=O)N(c3ccccc3C#N)C2=O)c1 1863037078 UQCKBGQHSILGKP-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CSc1cccc(NC2=C(c3ccccc3Cl)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1863076204 BOSAZXLVMVTISH-UHFFFAOYSA-N 445.931 5.330 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2cccc3ccccc23)C1=O 1863224017 DKPGLUGLMBSRJS-IBGZPJMESA-N 443.506 5.665 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccc(C)cc2)=C(c2cccs2)C1=O 1863808315 LKDPYKNGYREAPX-UHFFFAOYSA-N 438.637 6.067 30 10 IKEE Cc1ccc2c(c1)CCN(c1cc(Nc3ccccc3C#N)nc(C(C)C)n1)[C@@H]2CC(C)C 1868238377 PBPMIJBXFOMPHH-RUZDIDTESA-N 439.607 6.674 30 10 IKEE N#Cc1ccc(Nc2cc(N3CC[C@H](c4ccco4)C3)nc(-c3ccc(Cl)cc3)n2)cc1 1868441574 AAFKEJAWMFFOSD-IBGZPJMESA-N 441.922 5.999 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3ccccc3[C@@H]2c2cccc(F)c2)nc(CCC)n1 1869215059 PXBUNYLFHYRPKK-NDEPHWFRSA-N 442.582 5.899 30 10 IKEE C=CCn1cc(OCc2ccccc2Cl)c(=O)cc1CSc1ccc(Cl)cc1 1870230662 KYTKIKGRTDMKMV-UHFFFAOYSA-N 432.372 6.212 30 10 IKEE CCCCCCCCn1cc(OCC)c(=O)cc1CSCCc1nc2ccccc2[nH]1 1870237773 FWXCGZUTPKFGDX-UHFFFAOYSA-N 441.641 5.960 30 10 IKEE CCCCCCCOc1cn(CCCCN(CC)CC)c(CN2CCC(C)CC2)cc1=O 1870411719 LEHKNNVJBGHLCZ-UHFFFAOYSA-N 447.708 5.551 30 10 IKEE CCCCCCCCn1cc(OCC2CCCCC2)c(=O)cc1CN1C[C@@H](C)C[C@H](C)C1 1870482673 DIQGRXKVRMIAAO-ZEQRLZLVSA-N 444.704 6.646 30 10 IKEE CCCCCCCCn1cc(OCCCCCC)c(=O)cc1CNc1ccc(CC)cc1 1871125405 YUJCIYBOBZUGCG-UHFFFAOYSA-N 440.672 7.342 30 10 IKEE COc1ccc(Oc2ccc(-c3nc(CC(=O)Nc4cccc(C#N)c4)cs3)cc2)cc1 1871277745 CTGWWNIDSISBIW-UHFFFAOYSA-N 441.512 5.664 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3cc(C)ccc3C)CO4)C2=O)cc1 1871348562 GMEDZQDUOZXWQN-MXAYSNPKSA-N 427.500 5.280 30 10 IKEE CC(C)(Oc1ccc(Cl)cc1)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccncc1)C2=O 1871384671 CXSSXXLJELHSGU-BKUYFWCQSA-N 435.863 5.114 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(OCC)cc2)C3=O)c1 1871387746 MVVKRZVWDLHHHA-MYYYXRDXSA-N 444.483 5.710 30 10 IKEE CC1(C)C[C@H]2C[C@@](C)(CN2Cc2c(O)ccc3c2O/C(=C\c2ccccc2Cl)C3=O)C1 1871394188 JOEGPZXHRDGSNW-BBUPEMRTSA-N 437.967 6.062 30 10 IKEE O=C1/C(=C/c2ccc3c(c2)OCO3)Oc2cc(OCCCCOc3ccccc3)ccc21 1871403260 ICTMIPGKFHJZJR-MYYYXRDXSA-N 430.456 5.270 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCCOc4ccc(Cl)cc4)cc(C)c3C2=O)cc1 1871415279 ZAIQCMXAWAMEGO-IWIPYMOSSA-N 434.919 6.285 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C(C)C)cc4)ccc3C2=O)cc1 1871435591 TUEOYDMYZXPXFC-QFEZKATASA-N 443.499 5.452 30 10 IKEE C=CCN(CC=C)c1nc(=NCCC(C)C)nc(Nc2ccc(-c3ccccc3C)cc2)[nH]1 1871637851 OMPKPNYPTKITTN-UHFFFAOYSA-N 442.611 5.649 30 10 IKEE COc1cccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(Cl)cc3Cl)n2)c1 1872762843 XUHPQIDCFGVKJV-JKNJVXJCSA-N 429.328 6.015 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccccc3C(C)C)n2)c(C)c1C 1872778752 SUKIUDZZDPLMMW-NQIIRXRSSA-N 448.588 6.203 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)n1 1872785467 NONOARKEGWULIF-NBILRRPASA-N 445.544 6.214 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2[C@@H](C)CC)=C(c2cccnc2)C1=O 1873269514 UOTZHYUQARGXJP-FQEVSTJZSA-N 433.596 6.148 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2c(C)cc(C)cc2C)C1=O 1873331746 YRIKTLVBZUIGBF-UHFFFAOYSA-N 443.591 6.036 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(C)cc1)n2Cc1ccccc1 1873656982 QKDYFXBNEHDECG-UHFFFAOYSA-N 437.547 5.219 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccc(Cl)c(Cl)c3)c(=O)oc2c1C 1873945169 JUQVKFMXCAYGPS-UHFFFAOYSA-N 446.330 5.853 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1cccc(Cl)c1 1874214614 VUEDMXVOINFPTO-BUVRLJJBSA-N 449.407 5.981 30 10 IKEE Cc1cc(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccccn2)ccc1Cl 1874230448 JTEDPEYNQZWRGV-VULFUBBASA-N 449.967 5.388 30 10 IKEE Fc1ccc(/C=N/n2c(CCCOc3ccccc3)nnc2SCc2ccccc2)cc1 1874317049 UDDIDXKULBOOQQ-OVVQPSECSA-N 446.551 5.603 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3cccs3)n2/N=C/c2ccccc2C)c1 1874371524 DGHKJNNDBDQTDB-WGOQTCKBSA-N 446.645 6.225 30 10 IKEE COc1cccc(/C=N/n2c(SCc3cccc(C)c3)nnc2[C@@H](C)c2ccccc2)c1 1874394857 XQFFWLIFGWCVDS-KKMLCIJBSA-N 442.588 5.921 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(Cc3cccs3)nnc2SC)cc1OC 1874411351 OXLQJDGDZPFZPW-PXLXIMEGSA-N 430.599 5.112 30 10 IKEE Cc1ccsc1/C=N/n1c(Cc2cccs2)nnc1SCc1ccccc1F 1874412182 GSHIAUOQYUBDAT-WSDLNYQXSA-N 428.583 5.614 30 10 IKEE O=[N+]([O-])c1ccccc1/C=N/n1c(Cc2ccccc2)nnc1SCc1ccccc1F 1874416713 DSLNHKLRYBZSRC-MFKUBSTISA-N 447.495 5.091 30 10 IKEE Cc1ccccc1CSc1nnc(CC(C)(C)C)n1/N=C/c1cccc2ccccc12 1874437332 VVBMJEZKEKJYPA-WPWMEQJKSA-N 428.605 6.503 30 10 IKEE FC(F)(F)c1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc(Cl)cc1 1874462594 WNAONIAPFNLFCE-NUGSKGIGSA-N 431.270 5.778 30 10 IKEE Clc1cccc(Cl)c1/C=N/n1c(SCCc2ccccc2)nnc1-c1ccco1 1874467258 ZWHUGMMMBQPEDF-ZVHZXABRSA-N 443.359 6.062 30 10 IKEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3ccc(C)cc3C)nnc2-c2ccco2)c1 1874469106 OJJSNFSMBWBMGD-AFUMVMLFSA-N 445.548 5.076 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccccc1OCCC 1874479664 LFCNGLYQDIHDLV-PCLIKHOPSA-N 443.016 6.237 30 10 IKEE CN(C)c1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C(C)(C)C)cc1 1874485626 FVRKOUJKUAXBIF-ZVHZXABRSA-N 428.005 5.470 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2ccc(C)cc2)cc1 1874486244 IPYUZIBOHOVGPB-YZSQISJMSA-N 436.625 6.138 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874491417 QDRLSVMPQFDXPP-CVKSISIWSA-N 441.044 6.602 30 10 IKEE Clc1cccc(CSc2nnc(C3CC3)n2/N=C/c2ccc(Cl)c(Cl)c2)c1 1874522962 AYNBPHDMDOGHCY-AUEPDCJTSA-N 437.783 6.290 30 10 IKEE Cc1ccc(Cc2nnc(S)n2/N=C/c2ccc(OCc3ccccc3C)cc2)cc1 1874561470 SOIVOTSSLVIICV-WGOQTCKBSA-N 428.561 5.236 30 10 IKEE CCOc1cc(/C=N/n2c(S)nnc2CCc2ccc(C)c(C)c2)ccc1OC(C)C 1874564820 USBYUCBSHLRMIQ-MFKUBSTISA-N 438.597 5.037 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2cc(Br)ccc2OCc2ccccc2)c1C 1874586941 MLCDOKRMGVHNSX-ZRDIBKRKSA-N 449.388 7.158 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCCc2ccccc2)cc1Cl 1874591046 PQTAQOIGFJFNBP-JXMROGBWSA-N 427.327 6.520 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2cccc(OCc3c(Cl)cccc3Cl)c2)cc1 1874596962 MYUCJIPWNLZOIA-XNTDXEJSSA-N 439.382 7.766 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OCC(=O)Nc1ccccc1 1874597646 XLELLXIUCCPZPO-OQLLNIDSSA-N 429.516 5.732 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2cccc(/C=C/C(=O)c3ccc(C(C)C)cc3)c2)c1 1874597715 AWWFKMVBNAWGOZ-MDWZMJQESA-N 427.544 6.340 30 10 IKEE Cc1ccc(COc2ccc(/C=C/C(=O)c3ccc(-c4ccccc4)cc3)cc2[N+](=O)[O-])cc1 1874601483 NGNRXWRTVQPXOL-GZTJUZNOSA-N 449.506 7.045 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2OC)cc1 1874618487 CYJFWFMMSAAHPA-GXDHUFHOSA-N 443.543 5.788 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)c(C)c1C 1874626579 LVKKAOPGURDEHH-IZZDOVSWSA-N 435.451 5.834 30 10 IKEE CCCCC1CCC(C(=O)Oc2cccc(/C=C/C(=O)c3ccc4ccccc4c3)c2)CC1 1874693544 KCOIIWHMCKOLKV-XMHGGMMESA-N 440.583 7.638 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)COCc3ccccc3)c2)cc1 1874694804 UYLKEWVMRKJGSS-RVDMUPIBSA-N 430.500 5.276 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)Cc1cc(C)ccc1C 1874698056 JIYUBSGHTDAVQT-WUXMJOGZSA-N 445.471 5.264 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3ccc(Cl)c(C)c3)c2)c(C)c1 1874702205 KROZZAGKZYUEBI-XYOKQWHBSA-N 434.919 6.146 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2cccc(OC(=O)CCCOc3ccccc3)c2)cc1 1874709556 HFXCGFXHAIGDHL-QGOAFFKASA-N 428.528 6.471 30 10 IKEE CCCCC(=O)Oc1cc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)ccc1OC 1874715978 VXVVLPWVNIGALN-VQHVLOKHSA-N 437.319 6.002 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)CCCOc3ccccc3C)c2)c(C)c1 1874716466 UBNHNDPAUCIPPJ-CCEZHUSRSA-N 442.555 6.581 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)c(C)c3)cc2)cc1OC 1875099143 UAAMUMHGYFQQBO-UKTHLTGXSA-N 430.500 5.365 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3cc(C)c(Cl)c(C)c3)cc2)cc1 1875103704 LRQRTMIYVGBFFD-NTEUORMPSA-N 448.946 6.400 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)ccc1OC(=O)Cc1cccs1 1875109439 NLGVEQJUVRFWQI-JXMROGBWSA-N 436.529 5.508 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Br)c2)ccc1OC(=O)C1CCCC1 1875117119 JGKJZADTKIUALW-PKNBQFBNSA-N 429.310 5.449 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1ccc(F)c(F)c1 1875133137 GSGWUIONEZCEDE-IZZDOVSWSA-N 438.426 5.406 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)Cc1ccccc1 1875135001 UTKHUEKJSDYYOA-ACCUITESSA-N 448.946 6.400 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)Cc1cccc2ccccc12 1875136447 PFVJOSVTJUUEPD-FOWTUZBSSA-N 436.507 6.201 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Br)c1OC(=O)C(C)C 1875142415 BASJWQORAPWGLB-RMKNXTFCSA-N 449.316 5.753 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc(Cl)c1OC(=O)C(C)(C)C 1875146427 ULNUXCLYIMFZRP-SOFGYWHQSA-N 444.911 5.358 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2cccc(C)c2)cc1 1875168351 YNDONCPCDOPXAG-DHZHZOJOSA-N 441.310 6.426 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)CCc1ccccc1 1875175272 HLYDCDDMLSZSFR-SDNWHVSQSA-N 444.527 5.755 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1cccc(Cl)c1 1875184850 UOLLBQKFQOMZJN-CSKARUKUSA-N 434.919 6.389 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C)NCCC 1922094785 NYKUDIDFCVKVCC-WQYPUDFKSA-N 442.644 5.696 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1[C@](C#N)(N(C(=O)OC(C)(C)C)c1ccccc1Cl)C2 1950067237 DRXDVHBOQGSMLQ-HOSQHVHZSA-N 447.963 5.373 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1999941166 LXKHFTNJAUHKTK-MWTRTKDXSA-N 449.979 5.621 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCCC[C@H]1NC(=O)OC(C)(C)C 2031500575 XNFXOUZFROQLAL-CJFMBICVSA-N 443.588 5.856 30 10 IKEE C[C@@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)[C@H](OCc2ccccc2)C1 2043777252 UWPCEBXGVXJFMS-RTGAMMJTSA-N 438.543 6.235 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCCN(Cc3ccccc3)C2)c1 2050133594 NBSAHEBDJYHGLN-SANMLTNESA-N 435.568 5.385 30 10 IKEE C#CC[C@H](C[C@@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC)C1CC1 2076099351 PAYAWQVYQCUYPU-DSITVLBTSA-N 442.644 5.294 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@]2(C)CCCN2C(=O)OC(C)(C)C)cc1 2076986602 LVLVHKLSBZNHDU-YADARESESA-N 445.560 5.118 30 10 IKEE CC(C)(C)[C@@H](c1ccc(C2CC2)cc1)n1nc(C2CCC2)c(/C=N/O)c1Br 2079040027 ILAYUSJGZQRGTP-FINLKQIMSA-N 430.390 6.234 30 10 IKEE COc1ccc([C@H](n2nc(C3CCC3)c(C=NO)c2Br)C(C)(C)C)cc1O 2079935064 NPEGVKPLKKLOFV-SFHVURJKSA-N 436.350 5.071 30 10 IKEE CC(C)(C)[C@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)(F)F)c(C(=O)O)c1Cl 2079972114 QFRSUTPMFWAPCB-LBPRGKRZSA-N 446.750 6.047 30 10 IKEE CCCOc1ccc([C@H](C)n2nc(C3CCC3)c(C#N)c2I)cc1 2080063434 DFNWSMYHQUJNCA-ZDUSSCGKSA-N 435.309 5.025 30 10 IKEE C=C([C@@H](NCCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C)C(C)(C)C 2096629893 DJLIUQXCRKPCNH-GOSISDBHSA-N 425.411 6.439 30 10 IKEE Cc1cc(F)c([C@@H](C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)c(Br)c1 2116787605 ZTMTZNFPYYWEBU-CQSZACIVSA-N 426.290 5.399 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cccc(Br)c1Cl 2136582013 DGOYSPNYLNSWLU-AEFFLSMTSA-N 445.829 6.003 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)C(C)(C)[C@H]1CCCCO1 2151440396 TTXCZZLAFDQBHK-ZWKOTPCHSA-N 437.378 5.678 30 10 IKEE CC1(C)CCC([C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)CC1 2158488517 GXBFTJFJLDGMHR-JOCHJYFZSA-N 435.406 6.689 30 10 IKEE COC[C@]1([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)CC=CCC1 2166533333 PGZPSTQZOKYYQF-NQIIRXRSSA-N 435.362 5.456 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 2213338164 YXUBNUSRMYLIIH-IECBHUPTSA-N 435.609 5.199 30 10 IKEE Cc1cc(NC(=O)OC(C)(C)C)cc(Nc2ncc(C)cc2B2OC(C)(C)C(C)(C)O2)c1 2232303922 OFHBXPHJDPINHB-UHFFFAOYSA-N 439.365 5.088 30 10 IKEE CCC[C@@]1(C(=O)C#Cc2ccccc2Br)CCCN(C(=O)OC(C)(C)C)C1 2235732250 RLWWHRPZOTVURQ-JOCHJYFZSA-N 434.374 5.187 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1cc(Br)c(F)cc1Cl 2258088672 VNZJIOXOIAPCGA-FQEVSTJZSA-N 426.757 6.055 30 10 IKEE C=CCC1(NCc2sc(Cl)cc2Br)CCN(C(=O)OC(C)(C)C)CC1 2259921736 HMNMHKUFBNQDFG-UHFFFAOYSA-N 449.842 5.599 30 10 IKEE C=C(C)CCCC[C@@H](NCCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2287369533 JDCFTPYUXIDSQC-HXUWFJFHSA-N 439.438 6.973 30 10 IKEE O=C1C(=CC=Cc2ccccc2)Oc2cc(OS(=O)(=O)c3ccc(Cl)cc3)ccc21 2296588964 DMZXBOSPPFZBPO-UHFFFAOYSA-N 438.888 5.280 30 10 IKEE Cc1cc(O)c(CN(CC(C)C)CC(C)C)c2c1C(=O)C(=Cc1cc3ccccc3o1)O2 2296608291 OQJAVNIHGRVLGU-UHFFFAOYSA-N 433.548 6.177 30 10 IKEE CC(C)(C)c1cc(C=C2SC(=Nc3ccc(F)cc3)NC2=O)cc(C(C)(C)C)c1O 2313557354 BBPAJMVZCWXJKP-UHFFFAOYSA-N 426.557 6.018 30 10 IKEE Cc1cccc(O)c1N=C1NC(=O)C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)S1 2314557032 JQLBHHJXJSIECV-UHFFFAOYSA-N 445.327 6.159 30 10 IKEE CC(C)(C)Oc1ccccc1CN1COc2ccc3c(c2C1)OC(=Cc1ccco1)C3=O 2321904914 XFHHEBHEIPNMNR-UHFFFAOYSA-N 431.488 5.425 30 10 IKEE Cc1ccc(OCc2nnc(S)n2N=Cc2ccc(Cl)c(Cl)c2)c(C(C)(C)C)c1 2322260403 MZSICFSGVMKXKP-UHFFFAOYSA-N 449.407 5.941 30 10 IKEE COC(=O)c1ccc(COc2ccc3ccccc3c2C=CC(=O)c2cccc(OC)c2)o1 2322371686 PDODFNSCTRRJCV-UHFFFAOYSA-N 442.467 5.703 30 10 IKEE Cc1cccc(CN2COc3c(cc4c(c3C)OC(=Cc3ccc([N+](=O)[O-])cc3)C4=O)C2)c1 2322433387 PDPQVODDMXKQHM-UHFFFAOYSA-N 442.471 5.180 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1F 2322708409 MTYCXPVQHNAFIB-UHFFFAOYSA-N 446.905 7.116 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCc3ccccc3C)ccc3ccccc23)c(OC)c1 2322904431 NKNJULWWJDTMEI-UHFFFAOYSA-N 438.523 6.641 30 10 IKEE C[C@@H](NC(=O)COc1cccc(C=CC(=O)c2cccc3ccccc23)c1)c1ccccc1 2323202985 GZGXEENRELIIOM-OAQYLSRUSA-N 435.523 5.992 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1OC 2323445755 LHBMULQPXZTIIS-UHFFFAOYSA-N 437.423 5.226 30 10 IKEE Cc1nnc(S)n1N=Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 2323464866 WGBXQLOCKZJUKU-DEOSSOPVSA-N 438.560 5.113 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCc3cccc(C)c3)c(Br)c2)cc1 2323466179 WZSPGRWRJISWQT-UHFFFAOYSA-N 435.361 6.795 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)c4cc(Cl)ccc4Cl)c3C)C2=O)o1 2323584933 OJBMTKVPLNPFSW-UHFFFAOYSA-N 429.255 6.039 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)C=Cc4ccc([N+](=O)[O-])cc4)ccc3C2=O)cc1 2323594854 OUOVKVJHXNQMPU-UHFFFAOYSA-N 441.439 5.392 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(OC)c1OCc1cc(C)ccc1C 2323602773 CSWGRLLXLNWHQI-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)cc(Cl)c1OCCc1ccccc1 2323702381 WFACUIHCTGZQMH-UHFFFAOYSA-N 436.935 6.265 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(OC)c1OCc1cccc(F)c1 2323790104 IVEJJRBRHBWTNQ-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OCC(=O)Nc1ccccc1C 2324010351 MJPHTZXVYWPLPM-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OCc1ccc(C)cc1 2324055018 HGOWDFIBDPTIQO-UHFFFAOYSA-N 448.990 7.430 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1cccs1)O2 2324609973 PDVDUJYLNWHTNS-AWEZNQCLSA-N 439.920 5.732 30 10 IKEE O=C1C(=Cc2ccccc2Cl)Oc2cc(OCCOc3ccc(Cl)cc3)ccc21 2324665850 MAXOLGWGBXMYMM-UHFFFAOYSA-N 427.283 6.067 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3)cc2)c2ccccc12 2324673080 VDHVEEHOXFCPOM-UHFFFAOYSA-N 437.495 5.762 30 10 IKEE CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2cccs2)C3=O)cc1 2325427765 REJWCTBBMXSDBG-INIZCTEOSA-N 447.512 5.281 30 10 IKEE Cc1ccccc1C=Nn1c(Cc2ccccc2)nnc1SCc1ccc([N+](=O)[O-])cc1 2325471805 WFFPKZVECMSBOG-UHFFFAOYSA-N 443.532 5.260 30 10 IKEE Fc1ccccc1C=Nn1c(Cc2ccccc2)nnc1SCc1ccc(Cl)cc1 2325493157 OJIZMWJPXNEBFV-UHFFFAOYSA-N 436.943 5.836 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc([N+](=O)[O-])cc1 2325532197 FMJYYWINQLBHOL-UHFFFAOYSA-N 445.548 5.857 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Br)c2)cc1OC(=O)c1ccco1 2325719873 QNRHMQPXTMKNBY-UHFFFAOYSA-N 427.250 5.166 30 10 IKEE CCc1ccccc1OCC(=O)Oc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC 2325750948 CSVBCESYGPSSMC-UHFFFAOYSA-N 434.463 5.277 30 10 IKEE O=C(C=Cc1cccc(OC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)c1)c1ccc(F)c(F)c1 2325753630 JHUHQBJARJWTNZ-VQTJNVASSA-N 438.857 6.223 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)cc1C 2325760649 VEMPQYPIUICCFY-UHFFFAOYSA-N 435.863 5.980 30 10 IKEE CCCSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1ccccc1C 2325884015 QQBUSMUUHOHECZ-UHFFFAOYSA-N 444.604 6.136 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1cc(Cl)c(O)c(OCC)c1 2326251913 VHRCBWGZPRJLRS-UHFFFAOYSA-N 448.951 5.302 30 10 IKEE CCCSc1nnc(CCCOc2ccc(OC)cc2)n1N=Cc1c[nH]c2ccccc12 2326272419 KCMQFTBCFFHRFW-UHFFFAOYSA-N 449.580 5.164 30 10 IKEE CCCOc1ccc(C=Nn2c(CCC)nnc2SCc2cccc(C)c2)cc1Cl 2326382348 BXOAUBVRPVQNAE-UHFFFAOYSA-N 443.016 6.156 30 10 IKEE COc1cc(C=Nn2c(C)nnc2SCc2cc(C)cc(C)c2)cc(Cl)c1OC 2326398566 TVUSJJPBQQUBIY-UHFFFAOYSA-N 430.961 5.048 30 10 IKEE CCCSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1ccc(F)cc1F 2326405792 IRTSIWPAGAOPTF-UHFFFAOYSA-N 444.551 5.569 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1ccc(Cl)c(Cl)c1 2326418011 NQSAAQNNRZIJIR-UHFFFAOYSA-N 447.435 6.719 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccc(F)cc1F 2326541109 YGPRXGFKMZABSK-UHFFFAOYSA-N 434.899 5.257 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1ccc(OC(C)(C)C)cc1 2326681628 QQLNYEZQVIFNJQ-UHFFFAOYSA-N 447.608 5.844 30 10 IKEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccccc1OCC 2326823960 YNSPJDSHEKXSBU-UHFFFAOYSA-N 439.541 5.102 30 10 IKEE Cc1ccccc1OCCCc1nnc(SCc2ccccc2)n1N=Cc1ccccn1 2327094595 FBWAWXQFUBDNCT-UHFFFAOYSA-N 443.576 5.168 30 10 IKEE Cc1ccccc1CSc1nnc(CCOc2ccccc2)n1N=Cc1cccs1 2329157046 FCQGIUVTYKJQCY-UHFFFAOYSA-N 434.590 5.444 30 10 IKEE Cc1ccc(C=Nn2c(COCc3ccccc3)nnc2SCc2ccccc2)cc1 2329341317 DYEIHZKOCWARHR-UHFFFAOYSA-N 428.561 5.478 30 10 IKEE Oc1cccc(C=Nn2c(Cc3ccccc3F)nnc2SCc2ccccc2F)c1 2329745779 JJTMZMYEGVRSJK-UHFFFAOYSA-N 436.487 5.027 30 10 IKEE Cn1cccc1C=Nn1c(Cc2ccc(F)cc2)nnc1SCc1ccc(Cl)cc1 2329863228 RNPBLLUHCMFYOV-UHFFFAOYSA-N 439.947 5.174 30 10 IKEE Cc1cccc(C=Nn2c(COc3ccccc3)nnc2SCc2cccc(Cl)c2)c1 2329923130 LEONXIJCMSKLNU-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE Fc1cccc(Cl)c1C=Nn1c(SCc2ccccc2)nnc1-c1cccs1 2330580221 NLIUELKKDPNJJF-UHFFFAOYSA-N 428.945 5.974 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)c(F)c2F)cc1)c1cccc([N+](=O)[O-])c1 2330621633 GXBIJWTWNCQWSU-UHFFFAOYSA-N 427.334 5.127 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)CC3CCCCC3)c(OCC)c2)cc1 2330840805 JBELIYQAQZCXDY-UHFFFAOYSA-N 448.603 7.200 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3cccs3)c(OC)c2)cc1C 2330857329 QSVYONVKOXLICX-UHFFFAOYSA-N 438.501 5.198 30 10 IKEE Clc1ccc(CSc2nnc([C@@H]3CCCO3)n2N=Cc2ccncc2)c(Cl)c1 2330999211 RCLHPPUTTBPCKM-KRWDZBQOSA-N 434.352 5.006 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OC(=O)c1ccc(C)c(C)c1 2331101097 BILHPQINNNWUKH-UHFFFAOYSA-N 436.454 6.096 30 10 IKEE O=[N+]([O-])c1ccccc1C=Nn1c(SCc2cccc(Cl)c2)nnc1C(F)(F)F 2331154816 JRCBCWGEPDYOFN-UHFFFAOYSA-N 441.822 5.033 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc(C=CC(=O)c2ccccc2)cc1[N+](=O)[O-] 2331170295 XUUARENYAWRLLU-UHFFFAOYSA-N 445.471 5.564 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1ccc(CC)cc1 2331345461 MSMKZGCDQYKIDC-UHFFFAOYSA-N 432.491 6.211 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3ccc(F)cc3)nnc2C(C)(C)C)c1 2331373241 PRKSKBPLFAAQFH-UHFFFAOYSA-N 426.561 5.678 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2OC)c1 2331429825 JGTZYCQQPASTTG-UHFFFAOYSA-N 444.527 6.117 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1ccc(C)c(C)c1 2331445419 TXUCGJWURFTAKT-UHFFFAOYSA-N 444.483 5.546 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)c1ccc(F)c(F)c1 2331512053 BZLPNZZUEZACDZ-UHFFFAOYSA-N 446.808 5.881 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2OC)cc1 2331715478 VAWSPIJLKLGVBS-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1ccccc1F 2331779700 HNHLYBDSVMAPRU-UHFFFAOYSA-N 432.491 6.265 30 10 IKEE CCC[C@H](CNC(=O)OC(C)(C)C)COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339575551 YBUQWYJLEMFSMW-JKIKYLSZSA-N 446.397 5.046 30 10 IKEE CC1(C)OB(C=Cc2ccc(N[C@@H]3CC[C@H]4CN(Cc5ccccc5)C[C@@H]43)nc2)OC1(C)C 2365066731 YGJVXDPDLMFCEG-KMDXXIMOSA-N 445.416 5.049 30 10 IKEE Cc1cc(C)c(NC(=S)N/N=C2\C(=O)N(Cc3ccccc3C)c3ccccc32)c(C)c1 3041521 ORJHYAIYUPDYDA-COOPMVRXSA-N 442.588 5.158 30 10 IKEE COc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cccc(Cl)c1 20881524 JMMRKAYXNUNJHJ-WGDIFIGCSA-N 430.935 6.328 30 10 IKEE COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cccc([N+](=O)[O-])c1 20884344 DKCNZYWDMIEQFU-QLXKLKPCSA-N 441.487 5.583 30 10 IKEE CCOc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(OCC(C)C)cc1)C2 21243654 VUGCEUOAVORCMM-KNQAVFIVSA-N 433.548 5.124 30 10 IKEE CCc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc([N+](=O)[O-])c2)cc1 21260564 FWHSRLJDKIWPTR-DCFHFQCYSA-N 439.515 6.137 30 10 IKEE CCCOc1ccc(C(=O)/C(=C\c2ccc(OC)cc2OC)c2nc3ccccc3o2)cc1 33442576 MJVGCASUFYZVOJ-CJLVFECKSA-N 443.499 6.057 30 10 IKEE COc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1 34954567 ZAYILPKEPXNLCD-LVZFUZTISA-N 434.491 6.478 30 10 IKEE CN1/C(=C\C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)C(C)(C)c2ccccc21 36795967 RZCGVLIAOFVUER-JCMHNJIXSA-N 430.577 5.117 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(cc3c(c2C)OCN(CCCc2ccccc2)C3)C1=O 41588739 PCDUUKXRZMUTIH-HMAPJEAMSA-N 431.557 5.766 30 10 IKEE COCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(-c2ccccc2)cc1)C3=O 41660897 BBKAFXJCNSZYNW-XYGWBWBKSA-N 427.500 5.158 30 10 IKEE C(=N/c1cc2c3c(c1)[C@@H](c1ccccc1)CCN3CC[C@@H]2c1ccccc1)\c1cccnc1 59506195 OBHRBTYPODQXGF-VVLOWPPNSA-N 429.567 6.710 30 10 IKEE COc1cccc2cc(C(=O)/C=C\c3csc(N(C(C)=O)c4c(C)cccc4C)n3)oc12 96924556 OXAMOHDAIONDFH-QXMHVHEDSA-N 446.528 6.095 30 10 IKEE O=C1/C(=C\c2ccc(Br)o2)S/C(=N/c2ccccc2)N1C1CCCCC1 100056718 ZCWDKFBPYYYJMF-UGFLLLHASA-N 431.355 5.979 30 10 IKEE CCCCCCCSc1nnc2c(n1)O[C@H](c1ccc([N+](=O)[O-])o1)Nc1ccccc1-2 101007429 SLECBSBYIZHXMC-LJQANCHMSA-N 441.513 5.605 30 10 IKEE CCCCCCCCn1c([C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)nc2ccccc21 102104979 CXNSUMFTAWGSMW-HXUWFJFHSA-N 447.579 5.689 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1c1ccc(F)cc1 169940420 UNUIMSUAUNRRJK-HSZRJFAPSA-N 442.446 5.099 30 10 IKEE CCOc1c(OC)cc(/C=N\Nc2nc(-c3ccc(Cl)cc3)cs2)cc1[N+](=O)[O-] 169942238 NUFCBXKDWJCELV-FBHDLOMBSA-N 432.889 5.225 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccc3c(c2)OCO3)c1 169967930 HKDGQGVTFMSWDO-DEOSSOPVSA-N 441.483 5.123 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cccc(OC(C)C)c1 169981018 IIEWGRKVGRSALQ-XMMPIXPASA-N 435.564 5.859 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2ccc(F)cc2)=C(N2CCc3ccccc32)C1=O 169985769 ZHQYCVJFPHRURQ-UHFFFAOYSA-N 448.582 6.109 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccco2)cc1 170031281 WBGOKJUBEAZRHD-OAQYLSRUSA-N 437.879 5.110 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(Cl)cc2)s1 170056928 TWJZJOULUQNIKE-KRWDZBQOSA-N 444.965 5.253 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2c[nH]c3ccccc23)cc1 170075170 CFAAGNFVFIWMRU-QHCPKHFHSA-N 442.902 5.913 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2c[nH]c3ccccc23)c1 170075541 SINKORMCFYESNC-RUZDIDTESA-N 436.511 5.876 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1c1ccccc1 170122462 ZZPMTSPGPQGPMS-VWLOTQADSA-N 435.479 5.631 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 170142458 PFNITUWZTAOASZ-SANMLTNESA-N 444.490 5.803 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1cccs1 170154205 GURXFAQSWUMTMK-IBGZPJMESA-N 439.558 5.214 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(Cl)c3)[C@@H]2c2cccs2)cc1 170159633 DBAZBMDTRDKISF-IBGZPJMESA-N 444.339 6.146 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccccn1)c1cccc2ccccc12 170173551 TXNKQLNWEHZXDB-QHCPKHFHSA-N 440.886 5.671 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccncc1 170204810 VSGVDJPEEGPCRZ-DEOSSOPVSA-N 436.467 5.026 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@@H]1c1ccccc1 170223806 FGBGVZFJYFLPKC-XMMPIXPASA-N 427.500 5.403 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1)c1cccc2ccccc12 170238581 UTASWMNUTMNXET-XMMPIXPASA-N 441.433 5.901 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@H]1c1ccc(F)cc1 170243874 FRESRWFAWLZZOR-HXUWFJFHSA-N 431.891 5.256 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@H]1c1ccccc1C 170277564 UITIPMOUJFFNSE-OAQYLSRUSA-N 441.955 5.734 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccco2)c1 170282621 FPGGQUHQJGZKBS-DEOSSOPVSA-N 427.500 5.558 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccc(C)o2)cc1OC 170302388 BHGWKCPVSPVLMS-QHCPKHFHSA-N 447.487 5.005 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1ccc(C)o1 170310050 CWUDKPMDEOTOOP-JOCHJYFZSA-N 425.525 5.452 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(C)o2)ccc1Cl 170310800 YVOKNZCKBVNFPJ-HXUWFJFHSA-N 429.900 5.161 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2cc3cc(Cl)ccc3o2)=C(O)C(=O)N1c1ccccc1 170315023 IWSRDXCWUMMZIF-HXUWFJFHSA-N 449.915 6.239 30 10 IKEE CCOc1cc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(C)cc2C)ccc1OC 170441331 AICANLVZFDMJFJ-DEOSSOPVSA-N 437.536 5.226 30 10 IKEE CC(C)Oc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 170469466 JJPZBLXRXHHDHE-QHCPKHFHSA-N 449.591 6.287 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)C(C)C)[C@H]1c1ccc(C(C)(C)C)cc1 170470173 IFWGPNNHOIULBO-OAQYLSRUSA-N 425.956 6.071 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc(Oc3ccccc3)cc2)[C@H]1c1cccs1 170476855 ZEYDKNRXQYHZGF-NRFANRHFSA-N 433.529 6.056 30 10 IKEE CCCNC(=O)c1ccc(Cl)cc1NC(=O)/C=C\c1cn(CCC#N)c2ccccc12 207281143 SDPBHQYCNQNTMI-FLIBITNWSA-N 434.927 5.000 30 10 IKEE COc1ccc2c(c1)O/C(=C/c1cccc(OC(=O)c3ccc(C(C)(C)C)cc3)c1)C2=O 210087655 FOBCUMCJGFLKQQ-BUVRLJJBSA-N 428.484 5.828 30 10 IKEE CCCCCCCCCCCCCC[C@H](O)[C@H](O)[C@H](CO)NC(=O)CCCCCCC 504711986 XQNJLWJVISBYSS-KYPHJKQUSA-N 443.713 5.637 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3cccc4ccccc34)[C@H]2c2cccc(Cl)c2)cc1 526489456 ALQFIGMBZMYAEW-RUZDIDTESA-N 436.898 6.422 30 10 IKEE CCOc1cc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)ccc1O 526490205 ZYSCEKOTWUMRCC-QHCPKHFHSA-N 446.890 5.373 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(Nc2cccc(C#N)c2)=C(Sc2ccccc2)C1=O 526657182 OACHMMBHTOZHFB-UHFFFAOYSA-N 445.931 5.509 30 10 IKEE Cc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1c(C)n(C)c2ccccc12 526805158 FVWIBFZZGIEHFP-YSMPRRRNSA-N 431.609 5.859 30 10 IKEE CCCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccc(Cl)c(Cl)c2)cc1 526814988 RVPCOSJYILPFSG-CFRMEGHHSA-N 449.407 6.111 30 10 IKEE CCOc1cc(/C=N\n2c(CC)nnc2SCc2ccccc2Cl)ccc1OC 526816332 CHCVXSOABRTMJF-QRVIBDJDSA-N 430.961 5.076 30 10 IKEE CCOc1cccc(/C=N\n2c(CC)nnc2SCc2c(F)cccc2Cl)c1OC 526817024 FOQDWEMUFLTOEX-MSXFZWOLSA-N 448.951 5.215 30 10 IKEE CCCOc1ccc(/C=N\n2c(C)nnc2SCc2c(F)cccc2Cl)cc1OC 526817075 GPAIUVYGKPYLLT-MSXFZWOLSA-N 448.951 5.351 30 10 IKEE CCCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1/N=C\c1ccc(CC)cc1 526830840 XJXMJMJYFCUZSH-IWIPYMOSSA-N 440.569 5.127 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)c1 585880749 QHUWDPLDNBAULA-HXUWFJFHSA-N 438.547 5.090 30 10 IKEE CCc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2ccc(C(F)(F)F)cc2)cc1 586239977 OXHWIVFRGBHSTA-UHFFFAOYSA-N 444.478 5.535 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCN(C(=O)OC(C)(C)C)[C@H]1C 698484408 OBBCGHIXIUYDLG-MHECFPHRSA-N 429.561 5.418 30 10 IKEE CC(C)(C)OC(=O)N(C1CCC1)[C@H](C#N)c1ccc(Br)c(Br)c1 712356598 FLCLDOULKCHTBI-OAHLLOKOSA-N 444.167 5.566 30 10 IKEE C=CCC1([C@H](Cc2ccc(Br)s2)NCCC)CN(C(=O)OC(C)(C)C)C1 722912727 HLPORSMTKYLVDD-INIZCTEOSA-N 443.451 5.235 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 724068812 GVXPUFOFHQFEDB-MWTRTKDXSA-N 433.524 5.154 30 10 IKEE Fc1cccc(NC(=S)N/N=C\c2cn(-c3ccccc3F)nc2-c2cccs2)c1 1857810799 QRULFDYZLSYIRS-MSXFZWOLSA-N 439.516 5.200 30 10 IKEE CCCCCCCCCNC(=O)c1ccc2c(c1)C(=O)N(C1CCCCCCC1)C2=O 1860364118 KLURWWLPEFLTIB-UHFFFAOYSA-N 426.601 5.876 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(C(C)C)cc1 1862380635 ICHLQWLUOBLVBL-OAQYLSRUSA-N 446.374 6.351 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccccc2F)cc1 1862390731 KUZZISYEKKOCCX-QHCPKHFHSA-N 439.527 5.172 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1c(Cl)cccc1Cl 1862443516 MLNAXCQURWTLAP-ADLMAVQZSA-N 438.738 6.024 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)cc1 1862444706 FMKNQOURWPCNLL-FQEVSTJZSA-N 432.347 6.152 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccc(F)cc2F)cc1 1862477765 RGLXCJZFWPBOFH-QHCPKHFHSA-N 439.502 5.964 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccccc2F)ccc1F 1862502258 VHJBMAXBDMODIS-HSZRJFAPSA-N 439.502 5.964 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1F 1862583843 KYLJEYGHAKSPFC-QGZVFWFLSA-N 426.246 5.258 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2ccc(Cl)cc2)c1 1862592177 WXVAIPQVLTUBHT-QHCPKHFHSA-N 447.918 5.441 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862598333 QPRMWFJYQYRDAY-IBGZPJMESA-N 434.319 5.323 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1Cc1ccccc1 1862649326 VUJFQTOAHHXVBE-AREMUKBSSA-N 433.507 5.927 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccccc3F)C2=O)cc1Cl 1862924232 CVAALCQJEGEQHU-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CC(N)=O)C(=O)OCC 1866029959 RGTXFCOETPEIEC-NRFANRHFSA-N 426.642 5.171 30 10 IKEE N#Cc1ccc(NC(=O)[C@H](NC(=O)CCCc2cccc(Cl)c2)c2ccccc2)cc1 1867124493 HKTZUTJIKRQPGQ-XMMPIXPASA-N 431.923 5.031 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCCCCCC)cn1Cc1ccc(OC)cc1 1870414700 WUROQLATDNIBEC-UHFFFAOYSA-N 438.612 5.428 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(Cl)cc2)cn1Cc1ccc(C)cc1 1870441700 VQAUTHBDQYJHGF-UHFFFAOYSA-N 448.994 5.611 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)c(Cl)c2)c(=O)cc1CNc1cccc(OC)c1 1870826396 WLVQAYYCDWSMJF-UHFFFAOYSA-N 445.346 5.541 30 10 IKEE CCCCCCCOc1cn(C[C@@H]2CCCO2)c(CNc2ccc(C(C)C)cc2)cc1=O 1870833821 VDJDTXFTSCUFNM-VWLOTQADSA-N 440.628 6.112 30 10 IKEE CCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(Cl)c(C)c1 1871254023 NCILTCDJZQPDTK-UHFFFAOYSA-N 449.982 6.063 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc3c2CN(CCC2=CCCCC2)CO3)C1=O 1871348941 FFSKJBSBFVISBC-XYGWBWBKSA-N 431.532 5.744 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OC(=O)COc4ccc(Cl)cc4)c3C)C2=O)cc1 1871380944 LGMJBPFQWFYFTP-UCQKPKSFSA-N 448.902 5.811 30 10 IKEE Cc1cc(OC(=O)/C=C/c2ccc(-c3ccccc3)cc2)cc2c1C(=O)/C(=C/c1ccco1)O2 1871382942 GZNFRPNVCBEWHV-DSAQXUNYSA-N 448.474 6.490 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(OC)cc2)C3=O)c1 1871387273 MMHBHQGGBLCBGS-UCQKPKSFSA-N 430.456 5.238 30 10 IKEE Cc1cccc(OCCOc2ccc3c(c2C)O/C(=C\c2ccc4c(c2)OCO4)C3=O)c1 1871406054 GORKKKOCOJSTES-OYKKKHCWSA-N 430.456 5.106 30 10 IKEE CCCCCCCCCOc1ccc2c(c1C)O/C(=C\c1cccc(OC)c1OC)C2=O 1871429334 CMZOWMFUTXCVDI-MOHJPFBDSA-N 438.564 6.758 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc(Cl)c4)cc(C)c3C2=O)c1 1871454461 LSTGXVRAFJEULH-JJFYIABZSA-N 433.891 5.591 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4cccc(Cl)c4)c3C)C2=O)c1 1871454545 PPFXKRCHNQUNQT-UUYOSTAYSA-N 449.890 5.291 30 10 IKEE COc1ccccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 1871458871 OEFXZIVHBAVTAI-LABNAMAPSA-N 441.483 5.194 30 10 IKEE CCCCCCCCN=c1nc(N(CCC)CCCC)[nH]c(=Nc2cc(C)ccc2C)[nH]1 1871671920 LCWQBIYCXQBPIE-UHFFFAOYSA-N 440.680 5.865 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1cccs1 1872427735 NMOIARJXTLUBNW-SFHVURJKSA-N 441.018 5.084 30 10 IKEE C=CCN([C@@H](C(=O)Nc1cc(C)ccc1C)[C@@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872572050 OWOUMLOWJCFUJT-MHECFPHRSA-N 442.625 5.150 30 10 IKEE N#C[C@H](C(=O)c1ccc(-n2cccc2)cc1)c1nc(-c2cccc(Br)c2)cs1 1872763073 DDPKUVJTZJEHFW-LJQANCHMSA-N 448.345 5.853 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)COc3c(C)ccc(C)c3C)n2)c(C)c1C 1872778540 NKKJXYYEHAKFSM-HXUWFJFHSA-N 434.561 5.616 30 10 IKEE N#C[C@@H](C(=O)c1c(Cl)ccc(Cl)c1Cl)c1nc(-c2ccc(F)c(F)c2)cs1 1872779486 KTIRTCYCIRPVOU-VIFPVBQESA-N 443.689 6.539 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@H](C#N)C(=O)Cc2ccc(F)c(C)c2)n1 1872783647 FGCVTOHIAWJGPK-MRXNPFEDSA-N 428.916 5.647 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(C)cc(C)c2)=C(c2cc(F)cc(F)c2)C1=O 1873318383 PIZWRPYKJSHNFT-UHFFFAOYSA-N 440.534 6.134 30 10 IKEE C=CCN1C(=O)C(Nc2cccc(OCC(C)C)c2)=C(c2cccc(Cl)c2Cl)C1=O 1873341618 KSYLOOFHDGETLF-UHFFFAOYSA-N 445.346 5.406 30 10 IKEE Cc1nnc(SCc2ccc(Br)cc2)n1/N=C/c1ccc2cc[nH]c2c1 1873499950 WOTVJFQIITZLFH-SSDVNMTOSA-N 426.343 5.005 30 10 IKEE C=CCSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1sccc1C 1874226561 QJHOAGWXPMBLKH-HZHRSRAPSA-N 426.611 5.437 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2/N=C/c2sccc2C)c1 1874356847 CJGAYTRGEPKPAQ-CVKSISIWSA-N 446.645 6.339 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(COc3ccccc3)nnc2SCc2ccc(F)cc2)c1 1874383904 NSXYSKZJZINHCA-VULFUBBASA-N 448.523 5.185 30 10 IKEE CCSc1nnc(Cc2cccs2)n1/N=C/c1ccc(OCc2ccc(C)cc2)cc1 1874412961 VAJGMVAAAHLIJF-PCLIKHOPSA-N 448.617 5.812 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2ccccc2C(=O)O)cc1 1874425649 SOUKNSJBKQEWRT-MFKUBSTISA-N 428.517 5.126 30 10 IKEE COC(=O)c1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2cccc(C)c2)cc1 1874437658 MTAKOTBFYDMAHM-MFKUBSTISA-N 436.581 5.136 30 10 IKEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccc(C(C)C)cc1 1874477184 NRMVKBUFAABBQI-BUVRLJJBSA-N 437.569 5.827 30 10 IKEE Cc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(Cl)cc1Cl 1874533344 DSFZJLWZXABRDN-WYMPLXKRSA-N 427.360 6.221 30 10 IKEE O=C(/C=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCCO2 1874580710 CGHHTRKHJIAWLF-RMKNXTFCSA-N 441.310 6.240 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)c1OCc1ccccc1 1874585808 GSEJVXXOUFETIY-ZHACJKMWSA-N 436.935 6.449 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1ccc(F)cc1)c1cc(Cl)ccc1Cl 1874591427 JKBAHCQAAIMTBW-YCRREMRBSA-N 435.709 7.261 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OCC(=O)Nc1cc(C)ccc1C 1874595146 WVAOOWMRDSFMBJ-ZRDIBKRKSA-N 449.934 5.879 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 1874616174 MIAQAJZRVACIBZ-KPKJPENVSA-N 437.879 6.040 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1OC(=O)c1ccccc1[N+](=O)[O-] 1874704637 VYGZMAOWLJGJSY-PKNBQFBNSA-N 447.443 5.036 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)cc(Br)c1O 1874719428 JDLNEYYPPQUYIA-ONEGZZNKSA-N 432.097 5.375 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 1875105996 XAOJWTAJEBLLHH-GIJQJNRQSA-N 429.472 6.053 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(OC)c1OC(=O)Cc1ccccc1 1875111773 PMSCSIDWBWGFLD-OUKQBFOZSA-N 436.891 5.401 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cc(Cl)ccc2Cl)cc1)c1ccc([N+](=O)[O-])cc1 1875117883 WQRUKMFTCYMLHO-KGVSQERTSA-N 442.254 6.017 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)c1ccccc1F 1875120122 CNBFALACKXQCAA-RMKNXTFCSA-N 446.808 5.881 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)[C@H]1CCCO1 1875124465 MOZVEHCWZAFPCJ-CSHXORCISA-N 435.303 5.373 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3ccc(Cl)cc3)cc2)c(C)c1 1875131075 GZKFXQIUZWZWMO-LZYBPNLTSA-N 448.946 6.618 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc(C)cc(C)c3)c(OC)c2)cc1F 1875153592 OHTBDTYKIZVAFU-VMPITWQZSA-N 434.463 5.575 30 10 IKEE CC(C)COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2)cc1 1875156222 PUCIXOFEOQGJTM-CNHKJKLMSA-N 442.555 6.960 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)CCc2ccccc2)c(Cl)c1 1875170981 ZPFAWONQHUEWNR-FMIVXFBMSA-N 448.946 6.400 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3F)cc2)c(OCC)c1 1875178161 WNPIBXJYJPFUMK-LFIBNONCSA-N 448.490 5.667 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)CCCCCC 1875178876 GVCFQNRMXXVQOV-JQIJEIRASA-N 434.576 6.812 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc(Cl)c1OC(=O)CC 1875179958 JYVBJIRFGQQMCZ-BQYQJAHWSA-N 437.319 5.921 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1ccc(CC)cc1 1875183746 QOPFFNFPWDEPBS-GXDHUFHOSA-N 442.555 6.688 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1 1875185869 SHEOJUYZXOBYFD-JLHYYAGUSA-N 435.347 6.774 30 10 IKEE C=CCCCC[C@H](NC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875650174 GHKVTHVOBWOGJR-LITSAYRRSA-N 445.603 6.212 30 10 IKEE N#C[C@@]1([C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C[C@H]2CC[C@H]1C2 1875689810 MKMYEDQDNCTYRY-IGAPKSLYSA-N 439.555 6.208 30 10 IKEE C=C([C@@H](NCC)c1cc(Br)ccc1I)[Si](C)(C)C 1922873979 LLKNQOSJQGGORR-CQSZACIVSA-N 438.223 5.138 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1ccc(Cl)s1 1942300874 VFBHGMOFCFEGCM-ZDUSSCGKSA-N 427.751 6.170 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@]2(C)CCN2C(=O)OC(C)(C)C)cc1 1999897060 LNEBCUCVOZIYFY-BJKOFHAPSA-N 429.561 5.418 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)[C@H]1C(C)(C)C 2020136508 MHBYORQVSGVVIT-HOYKHHGWSA-N 429.561 5.356 30 10 IKEE CC(C)[C@@](C#N)(CCCN(CCN(C)Cc1ccccc1)Cc1ccccc1)NC1CC1 2034738772 ANCZXZLJKQOJLF-NDEPHWFRSA-N 432.656 5.071 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(Cc3ccccc3)C3(CC3)C2)cc1 2042191202 VPGKZYAZGYNOIX-HHHXNRCGSA-N 431.580 5.828 30 10 IKEE C=C1C(=CC=C2CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)C=C[C@H](C)C(C)(C)O)C[C@H](O)C[C@@H]1O 2053528695 ZGLHBRQAEXKACO-AVYUTSTRSA-N 428.657 5.727 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)cc1Br)NCCC 2063098766 IKPNPIGCJURRTQ-DLBZAZTESA-N 431.802 5.093 30 10 IKEE C=C([C@@H](N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)[Si](C)(C)C 2071357814 RTPVBQLJJURZAC-KAYWLYCHSA-N 447.651 5.639 30 10 IKEE Cc1ccc([C@H](C(C)C)n2nc(C3CC3)c(/C=N/O)c2I)cc1C 2079128132 ZQQHGZVHGXXLFU-FWOHHPOZSA-N 437.325 5.035 30 10 IKEE COC(=O)c1c(C(F)(F)F)nn([C@@H](c2ccc(C(F)(F)F)c(F)c2)C(C)C)c1Cl 2080053465 ITXAPAAZZSWTTN-GFCCVEGCSA-N 446.750 5.745 30 10 IKEE CCOc1ccc(C(F)(F)F)cc1-c1c(C2CCCCC2)nn2c(O)c(C#N)cnc12 2081424880 NYDKOLQYPRVRJA-UHFFFAOYSA-N 430.430 5.439 30 10 IKEE N#Cc1cc(Br)ccc1OCc1c(Br)cccc1Br 2094102918 VKRBJWNGLSPTDF-UHFFFAOYSA-N 445.936 5.425 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)cc(Br)c1)NCCC 2110500020 FYSOARNSXDBZSE-MSOLQXFVSA-N 445.829 5.483 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@](C)(C#N)C(F)(F)C(F)(F)F 2126067101 BXKXADASOJJCTA-CQSZACIVSA-N 443.210 5.670 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCCN(C(C)(C)C)C1 2158639543 MRMAAYLHDIYDAB-OAQYLSRUSA-N 436.394 5.347 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](CNc2cc(Br)cc(C#N)c2)C(F)(F)CC1 2162283601 COQFQMXXGYFBAA-CQSZACIVSA-N 444.320 5.015 30 10 IKEE Cc1ccc(NC(=O)OC(C)(C)C)cc1CNc1ccc(C#N)c(Br)c1F 2203817089 QTDNBFWAWWMGDK-UHFFFAOYSA-N 434.309 5.727 30 10 IKEE C=CCC[C@@](C)(CO)N(C(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(F)c1 2211065666 FODBSDHIPRSXPE-NDEPHWFRSA-N 445.534 6.298 30 10 IKEE Cc1sc([C@H](C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)c(C)c1Br 2219356687 LSWNXNRSVZHMSH-LBPRGKRZSA-N 428.356 5.630 30 10 IKEE C=CCCCCC[C@H](O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229113886 KGBMDBNFJSGZJQ-MOPGFXCFSA-N 426.395 5.382 30 10 IKEE C=CCCCC[C@@H](NCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237407463 QQQWXGQOOYZDJS-UXHICEINSA-N 439.438 5.609 30 10 IKEE CCCCCCCCC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237408152 AXSPNKNALCMIQB-IBGZPJMESA-N 440.422 6.205 30 10 IKEE CC#CCCC[C@H](NCCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248456638 SKKVUINJBKHWPD-QHCPKHFHSA-N 428.617 5.002 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](Nc2ccc(C#N)c(Br)c2)C[C@@H]2CCCC[C@@H]21 2279522011 MLLDLLZAYGBUEV-YJLNNSPDSA-N 434.378 5.301 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCC[C@@H]2Nc2c(Br)cccc2C#N)CC1 2285183728 DBKVCRCNQBMDLV-KRWDZBQOSA-N 434.378 5.302 30 10 IKEE Cc1cc(Br)cc(Br)c1Oc1ccc(C=NO)cc1[N+](=O)[O-] 2296511119 BGMKTJQZWMQCII-UHFFFAOYSA-N 430.052 5.029 30 10 IKEE Cc1nc(N2C(=O)C(=O)C(=C(O)c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)sc1C 2296936525 ZJTZTVJBQOBHSS-GOSISDBHSA-N 442.899 5.179 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@@H](C#N)C12CC(CCN1C(=O)OC(C)(C)C)C2 2318783840 XXWPNCPZCSYSAG-CBRQFWLQSA-N 445.535 5.249 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2318881383 XJQXFYAEGNSQDK-XUVXKRRUSA-N 447.551 5.543 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OCc3cc(Cl)cc4c3OCOC4)ccc2C1=O 2321876809 HCZDVVCVQAVZFY-UHFFFAOYSA-N 440.904 5.772 30 10 IKEE COc1ccc(C=Nn2c(S)nnc2C2CC2)cc1OCc1ccc(Cl)c(Cl)c1 2321884423 ALQXMKPAAQJJBC-UHFFFAOYSA-N 449.363 5.221 30 10 IKEE CCOc1cc(C=Nn2c(S)nnc2CC(C)(C)C)ccc1OCc1ccccc1C 2321936887 ZPHYHSYMSUHKSE-UHFFFAOYSA-N 438.597 5.324 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O3)CN(C[C@H]1CCCO1)CO2 2321961704 JBAGAIGPFFDVEJ-MRXNPFEDSA-N 446.330 5.249 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc4c3CN(C[C@@H](O)c3ccc(Cl)cc3)CO4)C2=O)c1 2322234293 NRPJSLXRSYEYMS-JOCHJYFZSA-N 447.918 5.150 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC)c2OCc2ccc([N+](=O)[O-])cc2)cc1C 2322999069 YLNROCIKDRDQHQ-UHFFFAOYSA-N 447.487 5.704 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)c(Br)c1OCCO 2323190071 GWBRPSBQHWGTLC-UHFFFAOYSA-N 433.342 5.022 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCc3c(F)cccc3Cl)c2)cc1F 2323201782 PKBJQBISGGAYRK-UHFFFAOYSA-N 444.861 6.111 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc(C)c3C2=O)c1 2323279852 ZRKFNJYXQXMLSF-UHFFFAOYSA-N 429.428 5.355 30 10 IKEE CCCCCCCCCOc1ccc(C=Nn2c(S)nnc2C(C)C)cc1OCC 2323480171 MOMWMHAMVCHQAW-UHFFFAOYSA-N 432.634 6.101 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3cc(OC(=O)C=Cc4cccs4)ccc3C2=O)cc1 2323517633 LAXZYWSDMRCFLJ-UHFFFAOYSA-N 430.525 6.281 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2Cl)c(Cl)c1)c1cccc2ccccc12 2324129604 ITGUUDKGRAVUTL-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1cccc(C)c1)C2=O 2324339089 CAVNOJSQHBUEMW-LJQANCHMSA-N 441.527 5.888 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3C)c([N+](=O)[O-])c2)c(OC)c1 2324474133 SVDRSLQOAHVHJX-UHFFFAOYSA-N 433.460 5.396 30 10 IKEE Cc1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)c1C 2324498628 UQAFLJHSTNCMQQ-KRWDZBQOSA-N 447.918 5.979 30 10 IKEE COc1ccc(OC)c(C=C2Oc3cc(OCCOc4ccc(C)cc4)ccc3C2=O)c1 2324537431 SRKRDMLQYRXGJW-UHFFFAOYSA-N 432.472 5.086 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(OC)c(OC)c3)n2)cc1 2324545710 VSNZOGDTVYSMAD-HXUWFJFHSA-N 448.544 5.506 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OCC(=O)Nc2ccccc2)cc1 2324571203 UCOVVBBTEXGOLU-UHFFFAOYSA-N 427.544 6.206 30 10 IKEE CCCCCCOC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1OC(F)F)C2=O 2325027821 AUOUXGLLZPENLF-UHFFFAOYSA-N 446.446 5.407 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1ccc2c(c1C)OC(=Cc1sccc1C)C2=O 2325098380 ATKRQRDKZMAZLX-LJQANCHMSA-N 442.577 6.262 30 10 IKEE C[C@H](Oc1ccc2c(c1)OC(=Cc1cccc(Cl)c1)C2=O)C(=O)Nc1ccc(C#N)cc1 2325302835 IDKKLDDKDDFHLC-HNNXBMFYSA-N 444.874 5.234 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2cccc(C=CC(=O)c3ccc(Cl)cc3)c2)cc1 2325730341 HYKPEQJDUQJVPZ-UHFFFAOYSA-N 434.919 6.309 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cccc(OC(=O)C(c3ccccc3)c3ccccc3)c2)c1 2325740393 WGDJAIBPTDUIBK-UHFFFAOYSA-N 446.546 6.937 30 10 IKEE COc1ccc(C(=O)Oc2cccc(C=CC(=O)c3cc(C(C)(C)C)ccc3C)c2)cc1 2325765516 BTPRELVZNUEWHI-UHFFFAOYSA-N 428.528 6.416 30 10 IKEE CCSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1ccc(OC)cc1 2325912051 NCPQWFVXKLXJCI-UHFFFAOYSA-N 437.352 5.167 30 10 IKEE CCCOc1c(Cl)cc(C=Nn2cnnc2SCc2ccccc2)cc1OCC 2326204461 YITCVPZCBXLFFJ-UHFFFAOYSA-N 430.961 5.294 30 10 IKEE CCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccc(OC(C)C)cc1 2326821252 ODYJORUTEMPPEV-UHFFFAOYSA-N 439.541 5.101 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2ccncc2)cc1 2328563186 XSJDPLCLPXKDGR-UHFFFAOYSA-N 443.576 5.146 30 10 IKEE CCCOc1cccc(C=Nn2c(Cc3ccc(OCC)cc3)nnc2SCCC)c1 2328568851 LNJQDQIFGWCJLX-UHFFFAOYSA-N 438.597 5.441 30 10 IKEE COc1ccccc1CCc1nnc(SCc2ccccc2)n1N=Cc1ccc(C)cc1 2328699615 LNTBTKRROVISRT-UHFFFAOYSA-N 442.588 5.555 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccccc2)n1N=Cc1cccc(Cl)c1 2330461511 GMDDSRUUWLXLBY-UHFFFAOYSA-N 432.980 6.005 30 10 IKEE CCc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCCc2ccccc2)cc1 2330493211 CNAPVMLCAKYTCZ-UHFFFAOYSA-N 426.589 5.648 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccco2)c(Br)c1)c1cccc([N+](=O)[O-])c1 2330627409 XHUKLKPSNPUTJY-UHFFFAOYSA-N 442.221 5.066 30 10 IKEE Cn1cc(C=Nn2c(SCc3ccccc3F)nnc2-c2ccccc2)c2ccccc21 2330672287 YHRRUTQUTMWRAZ-UHFFFAOYSA-N 441.535 5.750 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)c(C)c3)c(Cl)c2)cc1 2330743615 CYPDCTLVNQTAEY-UHFFFAOYSA-N 436.910 6.394 30 10 IKEE C=CCSc1nnc(C2CCCC2)n1N=Cc1ccc(OCCCC)c(OCC)c1 2331081505 SJHBOMGGDOCEOT-UHFFFAOYSA-N 428.602 5.674 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)CCCSC 2331142519 KUZZUGDMTUTGCJ-UHFFFAOYSA-N 434.941 5.302 30 10 IKEE O=C(O)c1ccccc1C=Nn1c(SCc2ccccc2Cl)nnc1-c1ccco1 2331211240 UCWJYGDCMCXTRO-UHFFFAOYSA-N 438.896 5.064 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(C)c3)cc2[N+](=O)[O-])cc1 2331339328 YRFOMLXYZVPMMC-UHFFFAOYSA-N 449.434 5.095 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc2c(c1)OCCO2 2331348755 QMBNLZSTDCMAID-UHFFFAOYSA-N 442.972 5.220 30 10 IKEE CC(C)(C)c1nnc(SCCc2ccccc2)n1N=Cc1ccc(Cl)cc1Cl 2331398730 GFRIUSYADJQHJN-UHFFFAOYSA-N 433.408 6.099 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(Cl)cc1 2331402714 IPWQNDYYIJBXRL-UHFFFAOYSA-N 434.996 6.557 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C(C)(C)C)c(OC)c1 2331404518 NPGIYSJNMXMZAA-UHFFFAOYSA-N 444.988 5.421 30 10 IKEE CCOc1c(C=Nn2c(CC(C)C)nnc2SCc2ccccc2F)cccc1OC 2331453666 SNDGODFJBWMKMP-UHFFFAOYSA-N 442.560 5.198 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)C1CCC1 2331499982 LRCXGFUPFQCDEF-UHFFFAOYSA-N 426.940 6.464 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(C(F)(F)F)cc2)c(Cl)c1)c1ccc(F)cc1 2331523211 IAWGWWKBCAEHHB-UHFFFAOYSA-N 448.799 6.613 30 10 IKEE N#Cc1cc(Cl)cc(OCc2ccc(I)c(Br)c2)c1 2349804019 PFFVVTVEFPMEEZ-UHFFFAOYSA-N 448.485 5.158 30 10 IKEE Cc1cc(CNc2cc(Cl)ccc2Br)cc(B2OC(C)(C)C(C)(C)O2)c1 2369675212 DPRPFPIUQRNVGP-UHFFFAOYSA-N 436.586 5.322 30 10 IKEE C=C(C)C/N=c1\scc(-c2cccs2)n1/N=C/C(c1ccccc1)c1ccccc1 12566013 SVBXJPSZPSMPMV-CMALBIHKSA-N 429.614 6.421 30 10 IKEE COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C)cc2)c1 21218639 HYHJIBPKZSDJOQ-HMILPKGGSA-N 440.543 5.992 30 10 IKEE CCOc1ccc([C@@H]2C3=C(C[C@@H](c4ccc(O)c(OC)c4)CC3=O)Nc3onc(C)c32)cc1 33321128 IPAYWZFNFRISSR-OSPHWJPCSA-N 446.503 5.054 30 10 IKEE C=CCc1cc(/C=C2/S/C(=N\c3cccc(Cl)c3C)NC2=O)cc(OCC)c1O 33349575 SNMGRZFHHGGUDW-XDHOZWIPSA-N 428.941 5.373 30 10 IKEE O=C1/C(=C\c2cc(Cl)ccc2O)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 35073797 SBCWKDXILIQATI-DDOPLPCHSA-N 434.948 5.718 30 10 IKEE C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCCC)c1 40077808 WLEPNYVSTILGIG-HSZRJFAPSA-N 435.520 5.029 30 10 IKEE C[C@@H]1CCc2c(C#N)c(NC(=O)COc3ccccc3Br)sc(=S)c2C1 41015037 UOKDBEXZGOIRJC-LLVKDONJSA-N 449.395 5.254 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccccc1OC(F)F)C2=O)c1cc2ccccc2o1 41352746 DVIOXYJLXICXTQ-NHDPSOOVSA-N 448.377 5.870 30 10 IKEE CC[C@@H](C)c1ccc(/N=C(\NCc2ccncc2)NC(=O)c2ccc(F)c(Cl)c2)cc1 45940430 ABKPMXPREWLUPG-MRXNPFEDSA-N 438.934 5.595 30 10 IKEE C/N=C1\S/C(=C/c2cc(Cl)ccc2OCc2c(F)cccc2Cl)C(=O)N1C 59596807 NOGLDMOKBGVJSZ-HSNALWFWSA-N 425.312 5.243 30 10 IKEE CC1(C)CC(=O)C=C(Nc2ccccc2NC(=O)Nc2ccc(SC(F)(F)F)cc2)C1 66323702 JXVSLZSLRPZQPW-UHFFFAOYSA-N 449.498 6.627 30 10 IKEE O=C(/N=C(/NCCc1c[nH]c2ccccc12)Nc1ccccc1F)c1ccc(Cl)cc1 66437787 CIMPTTBMBVQWGY-UHFFFAOYSA-N 434.902 5.401 30 10 IKEE C=CC[C@@H](Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1ccccc1 72262815 CNBBFMJUIYJVCV-OAQYLSRUSA-N 444.625 6.736 30 10 IKEE Nc1c(Cl)cc2c(c1Cl)S/C(=C1/C(=O)Nc3c(Cl)cc(Cl)cc31)C2=O 95933232 UWMVLHVAUXCMHP-OQLLNIDSSA-N 432.115 5.534 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2ccccc2OCCCc2ccccc2)cc1 100238879 RQMYQTLKPOEPNM-UHFFFAOYSA-N 445.603 7.300 30 10 IKEE CCCCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@@H](C)C3 101140116 FLUBBZFEGXQDEM-GOSISDBHSA-N 440.678 7.025 30 10 IKEE CCCCCCCCCCCn1c(CCCCCNC(=O)COC)nc2ccccc21 102163611 NJJPBURBCOPLRH-UHFFFAOYSA-N 429.649 6.043 30 10 IKEE CCCCCCCCC[C@@H](NCCC)c1cc(Br)c(Br)s1 128270443 MYPICPLMMMIJNI-OAHLLOKOSA-N 439.301 7.455 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\n2c(S)nnc2CCCC)cc1OC 169910937 NLCHAIYLHGRYTI-MOHJPFBDSA-N 432.634 5.930 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2c[nH]c3ccccc23)cc1C 170076645 OATACYCTTMAOGF-QHCPKHFHSA-N 426.472 5.156 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccccc2C)cc1 170088701 KDJAWZITILJZEU-SANMLTNESA-N 449.506 5.940 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@H]1c1ccco1)c1cccc2ccccc12 170092548 PIMCNWAPXUWDNC-QFIPXVFZSA-N 447.849 6.008 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccc(C)c2)cc1 170142856 AVNKCOSEOQCPLV-XMMPIXPASA-N 427.500 5.485 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccnc2)cc1C 170189392 LBGZWTJGJHGATF-DEOSSOPVSA-N 442.515 5.270 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(OCC)cc2)cc1 170214749 WWIZHXULVGEDOZ-DEOSSOPVSA-N 449.547 5.395 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2)cc1C(C)C 170221736 CTHWVONQKBQFRT-HSZRJFAPSA-N 447.556 5.659 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1ccc(F)cc1)c1ccc2c(c1)CCCC2 170239190 HTMBZJDKCFKLII-XMMPIXPASA-N 443.474 5.193 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(C(C)C)cc1 170246133 MOBPWPKQFHJLCS-XMMPIXPASA-N 447.575 5.956 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1ccc(CC)cc1 170268224 FVXVSNQIAYDFNU-QHCPKHFHSA-N 437.536 5.035 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(OC(C)C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 170469477 NRTQTNAWXIPLDI-VWLOTQADSA-N 449.591 6.287 30 10 IKEE N#Cc1ccc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C(F)(F)F)cc1Cl 247650230 MNNNLHUNJZMDQR-UHFFFAOYSA-N 425.197 5.322 30 10 IKEE CCC/N=C1\SC(=NN=Cc2ccccc2O)N(c2ccc(F)cc2)\C1=N\CCC 252611528 IKJDNYYQMRVVCM-BLLMTQLXSA-N 425.533 5.092 30 10 IKEE COC(=O)c1ccc(N=C2S/C(=C\c3cc(C(C)C)c(OC)cc3C)C(=O)N2C)cc1 254765110 WEVCKVMWAVHJNI-RNUJJHFSSA-N 438.549 5.147 30 10 IKEE CCCCCCCCCC(=O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 405908664 WUJSTSMMIRCSTB-UHFFFAOYSA-N 426.395 7.120 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccccc2OC)cc1 526603910 ILPNNMWBCOXRAT-XMMPIXPASA-N 426.472 5.023 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccs2)cc1OCC 526607759 VPLCUCBSOXEGOQ-QHCPKHFHSA-N 446.528 5.474 30 10 IKEE Cc1ccc(CSc2nncn2/N=C\c2ccc(OCc3ccccc3)c(Cl)c2)cc1 526803690 HXVXUFYEBDTFQO-VYYCAZPPSA-N 448.979 5.993 30 10 IKEE CCCOc1cc(/C=N\n2c(CCC)nnc2SCc2ccc(C)cc2)ccc1OC 526806050 XKRROLDZUGVOON-XYGWBWBKSA-N 438.597 5.511 30 10 IKEE CCCOc1ccc(/C=N\n2c(C)nnc2SCc2ccc(Cl)cc2)cc1Cl 526806896 ZWOYEGPVCOPOTG-FMCGGJTJSA-N 435.380 5.857 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1cccc(Br)c1 526816352 DJMICVKUKQSISS-UUYOSTAYSA-N 449.805 5.821 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)NC2CCN(C(=O)Nc3ccc(C)cc3)CC2)c1 585859859 NDOCVTJDDIYLMK-UHFFFAOYSA-N 434.584 5.259 30 10 IKEE CCc1ccccc1N(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586249835 SFOQLKKAERCBIM-UHFFFAOYSA-N 432.589 5.814 30 10 IKEE C=CCCCCC[C@@H](NCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 693694864 YMOKVLYDWIHSMW-ZEQKJWHPSA-N 429.649 5.270 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2ccc(Br)cc2Cl)c1 698419655 PQTGERIKIKZHGN-GOSISDBHSA-N 435.749 6.417 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@H](C#N)c1ccc(Br)c(Cl)c1 698423000 FRVAUYHPLDODJH-SFHVURJKSA-N 435.749 6.104 30 10 IKEE C=C1CCC(C[C@H](NCC)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)CC1 724569377 HWMSKJJQKKROQM-FGCOXFRFSA-N 430.633 5.600 30 10 IKEE O=C(Oc1ccc(C=NNc2nc(-c3ccccc3)cs2)cc1)c1ccc(Cl)cc1 1081093805 DMNXPXMPEVSMPT-UHFFFAOYSA-N 433.920 6.129 30 10 IKEE CCCCC(C)=NNc1nc(SCCC(=O)Nc2cc(Cl)ccc2Cl)n[nH]1 1084223586 UWEMCZGRUNSELL-UHFFFAOYSA-N 429.377 5.210 30 10 IKEE C=CCC[C@@H]1CCCN1C(=O)CSCc1nc(O)c2c(-c3ccccc3)csc2n1 1602981629 SHCNDNQXBTWJTH-QGZVFWFLSA-N 439.606 5.254 30 10 IKEE CCOC(=O)c1sc(NC(=O)c2ccc(-n3c(C)nc4ccccc43)cc2)c(C#N)c1C 1859757684 GULDPYQSBSSKJI-UHFFFAOYSA-N 444.516 5.005 30 10 IKEE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)Nc1sc2c(c1C#N)CCC2 1859759603 MDWTXULCGQDXKN-UHFFFAOYSA-N 428.344 6.038 30 10 IKEE N#Cc1c(-c2ccccc2)ccnc1Nc1ccc(-c2csc(-c3ccccc3)n2)cc1 1859863307 QJWXMYQELPMEOM-UHFFFAOYSA-N 430.536 7.154 30 10 IKEE CCCCCCCCNC(=O)[C@H](CC(C)C)NC(=O)Cc1ccc(OCCC)c(C)c1 1860984615 LANRVCWWHCIEAS-QHCPKHFHSA-N 432.649 5.334 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)[C@H](C)Oc1ccc(C(C)C)cc1 1861677083 JHOGMJYHLCFTCW-WIOPSUGQSA-N 446.676 6.119 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C[C@H](C)O)cc1 1862381218 UXNKMXQMYUOBHC-RBZFPXEDSA-N 448.346 5.076 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(N(C)C)cc1 1862381331 XOSRJYCWFGNXBL-RNODOKPDSA-N 447.362 5.436 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1C 1862405407 CLHFRNGVWJOBLP-FQEVSTJZSA-N 448.346 5.545 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(F)cc1 1862413402 BPOVGFCHAKGBGL-DYHNYNMBSA-N 429.438 5.261 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@@H]2c2cccc(O)c2)c1 1862431055 YQBNAVXMFCBJGS-QHCPKHFHSA-N 447.918 5.441 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(F)c1 1862445572 YYFVRVGWRNPIOK-JOCHJYFZSA-N 443.946 6.418 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(OCCC)c1 1862449854 UIPNKIRUOFLQII-JOCHJYFZSA-N 441.955 5.897 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@@H](C)CC)cc1OC 1862496238 GEBPGWRWHMDHIB-SBUREZEXSA-N 437.536 5.088 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(Cl)c1 1862583443 BJECSRONPAXCRU-SFHVURJKSA-N 438.738 6.025 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1c(F)cccc1Cl 1862619879 FIHPAZWLENAPCK-HXUWFJFHSA-N 429.919 5.763 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(F)cc2)cc1 1862663802 WZEJOYZPADAKBP-QFIPXVFZSA-N 435.520 5.789 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862695278 CRHVBJRJLYIRDS-SBUREZEXSA-N 437.536 5.251 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)c2ccccc2Cl)n(-c2cccc(Cl)c2)n1 1870000204 GVBYPVMIBXMQGE-UHFFFAOYSA-N 428.323 5.005 30 10 IKEE C=CCn1cc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(=O)cc1CSC(C)C 1870208885 COMKZZGJOJCTQV-UHFFFAOYSA-N 441.380 5.000 30 10 IKEE C=CCn1cc(OCCCOc2cccc(C)c2)c(=O)cc1CSc1ccc(C)cc1 1870220493 DQNFOMIJFTXPTR-UHFFFAOYSA-N 435.589 5.791 30 10 IKEE C=CCn1cc(OCc2ccc(OC)c(F)c2)c(=O)cc1CSc1ccc(Cl)cc1 1870242739 KOKFTNTWSZNWTA-UHFFFAOYSA-N 445.943 5.707 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2)c(CNc2ccc(C)cc2C)cc1=O 1870833887 YXOFCAPXZUTEGX-UHFFFAOYSA-N 432.608 6.475 30 10 IKEE CCCCCCCOc1cn(CCCN(C)C)c(CNc2ccc3cc[nH]c3c2)cc1=O 1870837626 PNFQBSSBVXDULF-UHFFFAOYSA-N 438.616 5.243 30 10 IKEE CCCCCCCOc1cn(CCCCCO)c(CNc2ccccc2CC)cc1=O 1870838243 VLEIJRFOIBQIIQ-UHFFFAOYSA-N 428.617 5.535 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)cc2)c(=O)cc1CNc1cc(Cl)cc(Cl)c1 1870861827 WBUCETACBPNZAS-UHFFFAOYSA-N 449.765 6.186 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4cccs4)ccc3C2=O)cc1OC 1871379324 BBMPAXUEPWRNTC-JEUHMODBSA-N 434.469 5.000 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OC(=O)c3cccc(OCC(C)C)c3)cc(C)c2C1=O 1871381230 OFWAWGNYSNVNHJ-XKZIYDEJSA-N 448.540 6.235 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OC(=O)/C=C/c4ccc([N+](=O)[O-])cc4)c3C)C2=O)o1 1871382019 KECATEAGRFMUJK-HTMSNVIRSA-N 431.400 5.040 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccs2)C3=O)c1 1871388761 CCWNKZKGQUEEOO-MOSHPQCFSA-N 434.469 5.207 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871407994 OPSZQIJYRPXCJH-YOBACFSGSA-N 433.891 5.671 30 10 IKEE Cc1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)c1C 1871414679 WMZKSSNHHSPNKT-GHRPQRKGSA-N 431.463 5.465 30 10 IKEE Cc1c(Cl)cccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O 1871427039 KKXOVLXHRWPKTK-JJFYIABZSA-N 437.854 5.421 30 10 IKEE Cc1c(OCc2ccc(C(=O)OC(C)C)o2)ccc2c1O/C(=C\C=C\c1ccccc1)C2=O 1871439072 GJJQCBZIYHDBTN-YSNDTTCLSA-N 444.483 5.905 30 10 IKEE C=CCN(CC=C)c1nc(=NCCCC)nc(Nc2ccc(Oc3ccccc3)cc2)[nH]1 1871508184 PXBJVGMOPPCZRY-UHFFFAOYSA-N 430.556 5.220 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(N3CCC(C)CC3)cc2)[nH]c(N(C)C)n1 1871661210 DFPKGKPGCNEHGS-UHFFFAOYSA-N 439.652 5.112 30 10 IKEE NC1=C(c2nc(-c3ccccc3)c(-c3ccccc3)s2)C(=O)CN1c1ccccc1Cl 1872726150 MQWNDIKJJHXFIT-UHFFFAOYSA-N 443.959 5.847 30 10 IKEE CCCOc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3cccc4ccccc34)cs2)cc1 1872774791 BXPLHTGGHKLISB-HSZRJFAPSA-N 426.541 6.171 30 10 IKEE Cc1nc2ccc(C(=O)[C@H](C#N)c3nc(-c4cccc5ccccc45)cs3)cc2nc1C 1872775285 MWNNDCYEZYNOMX-NRFANRHFSA-N 434.524 6.013 30 10 IKEE COc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)cc1 1872775493 RRFZNZCUHDMCNM-GOSISDBHSA-N 440.496 5.002 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@@H](C#N)C(=O)c2cc([N+](=O)[O-])ccc2Cl)n1 1872781136 PJAUCXSCZNLMOP-INIZCTEOSA-N 441.896 5.487 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Oc3ccccc3)cc2)=C(c2c(C)cc(C)cc2C)C1=O 1873330765 SHMMIBRZCITBFT-UHFFFAOYSA-N 438.527 5.782 30 10 IKEE C=CCOc1ccccc1OCc1nc2ccccc2n1CC(=O)Nc1ccc(C)cc1C 1873513079 JKVPIBJWSPELOC-UHFFFAOYSA-N 441.531 5.436 30 10 IKEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3ccc(OCCC)cc3)c(=O)oc2c1 1873924506 KUSHDANTDQWXEC-UHFFFAOYSA-N 435.520 5.416 30 10 IKEE CCCCCCCCCCNC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1C 1873935098 HZGHHGHEFHTYRY-UHFFFAOYSA-N 449.591 6.404 30 10 IKEE CSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874211549 HYPSMGAXWOJNQJ-OEAKJJBVSA-N 443.414 5.533 30 10 IKEE C=CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccc(OC)cc1 1874218195 ZNYMHJYFMVPFJA-ZMOGYAJESA-N 442.972 5.296 30 10 IKEE CCCOc1cccc(/C=N/n2c(COc3ccc(Cl)c(C)c3)nnc2SC)c1 1874229701 XSBCYGWBUFXJET-YDZHTSKRSA-N 430.961 5.212 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3F)n2/N=C/c2ccncc2)cc1C 1874320929 QQYRNFDJGPQOLH-MZJWZYIUSA-N 447.539 5.183 30 10 IKEE COc1ccccc1/C=N/n1c(CCc2ccccc2C)nnc1SCc1ccccc1 1874362842 ZUWIFJZIFBJKNC-OVVQPSECSA-N 442.588 5.555 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2cccc(C)c2)nnc1-c1ccccc1Cl 1874366332 TXXAXTQSDDATAZ-CVKSISIWSA-N 448.979 6.090 30 10 IKEE C=C(C)CSc1nnc(CCc2cccs2)n1/N=C/c1c(Cl)cccc1Cl 1874371625 IYJRTIZKSDYTOU-SSDVNMTOSA-N 437.421 5.982 30 10 IKEE COc1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SCc2ccccc2)cc1 1874375717 KEJGDYHSEAZMIF-WGOQTCKBSA-N 432.524 5.191 30 10 IKEE Fc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C/c2ccccc2F)cc1 1874398627 KYOAWJWPRAWYLB-JVWAILMASA-N 434.515 5.516 30 10 IKEE Fc1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2)nnc1-c1cccs1 1874424514 PHZCGGWBNBRUMC-FSJBWODESA-N 428.945 5.974 30 10 IKEE Fc1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2ccc3c(c2)OCCO3)cc1 1874426463 JTHDLSHJCXCPGJ-CVKSISIWSA-N 446.507 5.030 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2-c2ccccc2)c1 1874429341 FXZXVWBCFJPKNW-WGOQTCKBSA-N 448.979 6.172 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)(C)C)n2/N=C/c2ccc(C(C)(C)C)cc2)c1 1874438644 LGYKBXONXRPXPG-OGLMXYFKSA-N 448.680 6.956 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SCC)nnc2C(F)(F)F)cc1OCC 1874459867 HMPRQHLBDBIBIQ-YDZHTSKRSA-N 430.496 5.259 30 10 IKEE Cn1cc(/C=N/n2c(SCc3ccccc3F)nnc2C(F)(F)F)c2ccccc21 1874461323 IGMQSRATNNUSCA-KIBLKLHPSA-N 433.434 5.102 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874507813 WMWJOGZJWJOALQ-WYMPLXKRSA-N 444.988 5.390 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2cccc(Cl)c2)cc1C 1874518052 YWWUCISAOLNRNJ-WYMPLXKRSA-N 439.972 5.039 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)c(OC)c1 1874588065 SIGHJTABVIYPSQ-VZUCSPMQSA-N 426.871 5.971 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccccc1OCC(=O)Nc1ccccc1 1874589501 PBDQYPSWBWREBU-OUKQBFOZSA-N 435.907 5.571 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1OCc1ccccc1Cl 1874596896 IOTWDSNJEICVLD-RMKNXTFCSA-N 436.891 5.595 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3cccc(C)c3C)c2)cc1F 1874597319 FZJNVQABKFCYRW-ZRDIBKRKSA-N 433.479 5.365 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2cccc(OCc3ccc(F)cc3)c2)cc1Cl 1874598947 NQFHKSABWPDXRP-DHZHZOJOSA-N 426.871 5.971 30 10 IKEE C=CCOc1ccc(/C=C/C(=O)c2cc(OC)c(Cl)cc2OC)cc1Br 1874630271 SRETZZSUJXYMCV-FNORWQNLSA-N 437.717 5.581 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)c(OCC)c1 1874632496 ZXBAFUPYCHQLAK-SFQUDFHCSA-N 445.515 5.398 30 10 IKEE CCc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3cccc(Br)c3)c2)cc1 1874697812 BOCDXYQCIIHNIG-SDNWHVSQSA-N 435.317 6.127 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cccc(OC(=O)Cc2cc(Cl)ccc2Cl)c1 1874698884 RTWFKSNPWQJFEU-FMIVXFBMSA-N 441.310 6.046 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OC(=O)c1ccccc1OC 1874707927 DQCLKAHPXXFQIU-OQLLNIDSSA-N 430.500 5.943 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)c(C)c1C 1874711709 GNSPFOMHDCUXGW-FMIVXFBMSA-N 445.471 5.644 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)C(c3ccccc3)c3ccccc3)c2)cc1C 1874713717 LBDLWILOWYUBEI-HTXNQAPBSA-N 446.546 6.937 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(C)cc3)c2)cc1Cl 1874715464 ATVCVEYKAHANEN-DHZHZOJOSA-N 441.310 6.426 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cncc(C)c3)c2)cc1C 1874717613 FNJJGRNAVSYZAR-SOFGYWHQSA-N 431.488 5.139 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccccc1 1875105348 PYEKLVBZJFGYPF-XYOKQWHBSA-N 441.310 6.507 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Br)cc2)ccc1OC(=O)c1ccco1 1875110824 FEBMXUDDGHWADI-ONNFQVAWSA-N 427.250 5.166 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)C1CCCC1 1875126904 ZHXIZRSOQKWDFN-KPKJPENVSA-N 433.331 6.384 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)[C@H]1C[C@@H]1c1ccccc1Cl 1875128712 QQYQMYIUPKPIHE-QWSZJCSHSA-N 446.930 6.344 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1 1875134528 WSWSBIZHMPKISL-AWNIVKPZSA-N 441.310 6.046 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(C(F)(F)F)cc1 1875159627 UPSLZXLMWZCJEL-SWGQDTFXSA-N 444.380 5.968 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)c1ccccc1F 1875161777 HEMUBFQOOJPXGW-JXMROGBWSA-N 442.389 5.236 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc(OC)c1OC(=O)CCC 1875194155 LNHMNHLDOJILNG-PKNBQFBNSA-N 428.912 5.687 30 10 IKEE C[C@@H]1C[C@](C#N)([C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCO1 1875634728 SOTZLHSALVAUDO-KPGYKUMBSA-N 443.543 5.587 30 10 IKEE CCCC[C@@](C#N)(CC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875634749 SSLGELLZCDONQY-FQLXRVMXSA-N 443.587 6.988 30 10 IKEE C=C(C[C@@H](NCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)OC 1875649244 AKWWQJRZMBKQKG-LEAFIULHSA-N 447.575 5.406 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCC)c2c(Br)ccc(Cl)c2F)C1 1892695007 JZEZBUSWCGTLKU-INIZCTEOSA-N 447.776 5.506 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)[C@H]2CCC[C@H]21 1926540960 DIBODLBDEMONPJ-DFIYOIEZSA-N 441.572 5.105 30 10 IKEE CCCCCCCCC[C@@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1951704648 GCMCRVDIMVMZTN-HHHXNRCGSA-N 437.580 6.509 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2000548560 OSDTXPRZEBWZLG-VWFBZHOWSA-N 433.593 5.142 30 10 IKEE C=C(COCc1ccccc1)C(=O)c1ccc(NC(=O)OC(C)(C)C)c(C(F)(F)F)c1 2005304067 IMXUVZMOWCKACW-UHFFFAOYSA-N 435.442 6.008 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)[C@H]2C[C@@H]21 2008447296 AFKHKGGNDXSATE-IUKKYPGJSA-N 447.963 5.373 30 10 IKEE CC(C)(C)OC(=O)N1CC2(C1)CC(C#N)(N(C(=O)OC(C)(C)C)c1cccc(Cl)c1)C2 2011945178 LJSCKDXUEKBJIW-UHFFFAOYSA-N 447.963 5.375 30 10 IKEE CCOC(=O)c1c(C(C)(C)C)nn(Cc2cc(C(F)(F)F)ccc2F)c1C(F)(F)F 2079032277 ABHGEOCPGJUMDM-UHFFFAOYSA-N 440.359 5.582 30 10 IKEE CC[C@@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)F)c(C#N)c1Br 2079847137 OHQKRZYINDMSLA-NSHDSACASA-N 426.158 5.612 30 10 IKEE CC(C)c1nn([C@H](c2ccc(C(F)(F)F)cc2F)C(C)C)c(Br)c1C#N 2079878422 NLWJFTYPOKZGID-INIZCTEOSA-N 432.259 6.044 30 10 IKEE Cc1cc(O)c([C@@H](n2nc(C3CCC3)c(C=NO)c2Br)C2(C)CC2)cc1C 2079997868 IWIXGLLBAQVMBD-LJQANCHMSA-N 432.362 5.433 30 10 IKEE Cc1cc(C)c([C@H](n2nc(C3CC3)c(C#N)c2I)C(C)(C)C)c(C)c1 2080002167 SYQGCHQPEFOXCH-IBGZPJMESA-N 447.364 5.798 30 10 IKEE CC(C)Oc1ccc([C@H](n2nc(C(C)C)c(C=NO)c2Br)C2(C)CC2)cc1 2080117832 LDGGOKWVSHRLJB-IBGZPJMESA-N 434.378 5.754 30 10 IKEE CCCCCC#CCNc1c(Br)cc(Br)cc1Br 2083416174 VQSXHIOAFVQXCG-UHFFFAOYSA-N 438.001 5.970 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCC2)C12CCCCC2 2083810288 GRFQIWVDASZQCY-RUZDIDTESA-N 447.620 5.772 30 10 IKEE C=CCCCCCCCCCNCC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2086259586 QEHFZZGLUSEVAA-UHFFFAOYSA-N 434.668 6.354 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 2094884163 DIUWXLOKQGUMKD-JBNMYPGFSA-N 447.579 5.526 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)C1(C#N)CC(C)(C)OC(C)(C)C1 2149939934 ZJGKIGAJDDEVGQ-UHFFFAOYSA-N 437.378 5.821 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H](CNc2cc(Br)c(C#N)cc2F)CC12CCC2 2173317201 JURBBSZNCZIGRB-CYBMUJFWSA-N 438.341 5.051 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CN(c2ccc(C#N)c(Br)c2)C2(CCCCC2)C1 2174809338 YQGKCNFEQSJMSL-INIZCTEOSA-N 434.378 5.127 30 10 IKEE C=CCCCCCCCCC(=O)c1ccc(Br)cc1I 2207381722 KZBFSOZVVHATEA-UHFFFAOYSA-N 449.170 6.543 30 10 IKEE C=C(C)CN(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(C)C)c1 2267191173 YSDAIYLMCIPXFM-UHFFFAOYSA-N 433.401 5.328 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(F)cc(Br)c1F 2288346510 KENIMVFQHLLKJV-FUHWJXTLSA-N 447.364 5.628 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)C[C@@H](C)N(CC)C(=O)OC(C)(C)C 2296285198 ZJGKRQCOPYTGEI-XLIONFOSSA-N 437.422 5.204 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)CC 2296287211 UEIMTBDGBASIAT-NSISKUIASA-N 437.422 5.108 30 10 IKEE CC(C)(C)[C@H](CS)CSc1cc(I)ccc1Br 2300805374 NPRJMXDXAXOBKP-SECBINFHSA-N 445.229 5.738 30 10 IKEE CC(C)(C)OC(=O)NC1([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)CCCC1 2302600508 IJKJMLUIEPMAPA-SFHVURJKSA-N 433.524 5.297 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 2302797199 YJCGIINLSAQFSH-QRVBRYPASA-N 449.979 5.667 30 10 IKEE C[C@H]1CC(C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Br)C[C@H](C)S1 2317652781 QSMOFTICKAECDI-KBPBESRZSA-N 425.392 5.757 30 10 IKEE COc1cc(C=Nn2c(Cc3ccccc3)nnc2SC)ccc1OCc1ccccc1 2318418227 UHKKQQJWLPUCFN-UHFFFAOYSA-N 444.560 5.061 30 10 IKEE Clc1cccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CC2)c1 2320892149 RZFYTEKNXWAGFG-UHFFFAOYSA-N 437.783 6.290 30 10 IKEE COc1ccc(OC)c(C=C2Oc3cc(OCc4ccccc4Cl)cc(C)c3C2=O)c1 2321762223 OLCDLZGRINKTLU-UHFFFAOYSA-N 436.891 5.861 30 10 IKEE Cc1c(OCc2c(F)cccc2Cl)ccc2c1OC(=Cc1c(F)cccc1Cl)C2=O 2321802414 UCHICDBLWNHPFS-UHFFFAOYSA-N 447.264 6.775 30 10 IKEE C=Cc1ccc(COc2ccc3c(c2C)OC(=Cc2ccc(Cl)c(Cl)c2)C3=O)cc1 2321876185 ZJKHQRBSJMRFRI-UHFFFAOYSA-N 437.322 7.140 30 10 IKEE CCCCOc1ccc(C=Nn2c(S)nnc2-c2ccccc2Cl)cc1OCC 2321990974 VZXOCJAMOSWMQX-UHFFFAOYSA-N 430.961 5.347 30 10 IKEE COc1cccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(C2CCCCC2)C4)c1OC 2322016247 XRMGLCBTQLSOFC-UHFFFAOYSA-N 435.520 5.113 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(Cl)c(Cl)c1)C3=O)CN(CCOC(C)C)CO2 2322328469 TWCNSLHAFYSLMR-UHFFFAOYSA-N 448.346 5.495 30 10 IKEE Cc1c2c(cc3c1OC(=CC=Cc1ccccc1)C3=O)CN(Cc1cccc(Cl)c1)CO2 2322426723 HNTWJZQNMYYNFH-UHFFFAOYSA-N 443.930 6.173 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1c(OCc2ccccc2F)ccc2ccccc12 2322851581 PQHWFXRIJHGESI-UHFFFAOYSA-N 440.514 7.079 30 10 IKEE C=CCOc1c(OC)ccc(C=CC(=O)c2ccc(Cl)cc2Cl)c1Br 2323073171 PRCMQGXOMORBDL-UHFFFAOYSA-N 442.136 6.225 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OCCc3ccccc3)c2)cc1OCCC 2323118204 HUNGDQBAPPIYRZ-UHFFFAOYSA-N 444.571 6.782 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc(OC(=O)c3ccccc3[N+](=O)[O-])c2C)C1=O 2323153971 GODNJGMLXORBFI-UHFFFAOYSA-N 445.427 5.137 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Br)c(OCCC)c(OCC)c2)cc1 2323556779 QVHIAXWNOWCSKN-UHFFFAOYSA-N 445.397 6.875 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OC(=O)c3cccc(OCC(C)C)c3)cc(C)c2C1=O 2323580822 OFWAWGNYSNVNHJ-UHFFFAOYSA-N 448.540 6.235 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)cc(Cl)c1OCc1cccc(C)c1 2323635136 HYICPODLIDQAEM-UHFFFAOYSA-N 436.935 6.531 30 10 IKEE Cc1c(OC(=O)c2ccc(OCC(C)C)cc2)ccc2c1OC(=Cc1ccc(F)cc1)C2=O 2323635423 ZYKZTWYJJWYSSO-UHFFFAOYSA-N 446.474 6.004 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(F)cc3F)cc2Cl)cc1 2323720759 DFXMDATUOBNOPJ-UHFFFAOYSA-N 441.861 5.840 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OCc1cc(C)ccc1C 2323852631 HVYOCMZCPFKRTF-UHFFFAOYSA-N 430.544 6.413 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3cc(OCCCc4ccccc4)ccc3C1=O)cn2C 2324269503 JAHBSQDVHCYXQB-UHFFFAOYSA-N 439.511 5.815 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OCc2ccccc2F)c(Cl)c1 2324532456 ZTASEKZNZIZMFW-UHFFFAOYSA-N 445.317 6.925 30 10 IKEE Cc1ccccc1OCCCCOc1ccc2c(c1C)OC(=Cc1sccc1C)C2=O 2324599132 CBMSCXSWZQPXAR-UHFFFAOYSA-N 434.557 6.528 30 10 IKEE CCCCCOC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc(Cl)cc1Cl)C2=O 2325045232 WVVKZRSUTJQYOJ-UHFFFAOYSA-N 449.330 6.030 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C(C)C)cc4)cc(C)c3C2=O)cc1 2325318396 DPQWDUXPXLCKRN-UHFFFAOYSA-N 441.527 6.061 30 10 IKEE COc1ccccc1C=C1Oc2cc(OCc3ccc(C(=O)OC(C)C)o3)ccc2C1=O 2325385186 NLDIKCWMWJLVQE-UHFFFAOYSA-N 434.444 5.049 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1c(OC)ccc2ccccc12 2325511116 BQJZBPIRYMNEQF-UHFFFAOYSA-N 444.604 6.265 30 10 IKEE COc1ccccc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1cccc(Cl)c1)C2=O 2325736080 KDFRGUPFWBVCFS-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE COc1cccc(OCC(=O)Oc2cc(C=CC(=O)c3cc(C)ccc3C)ccc2OC)c1 2325740130 GCKYPGRDRIQOHM-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3cc(C)ccc3C)c2)c(OC)c1 2325740364 OGTZJLUCVHCXBH-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC)c(OC(=O)[C@@H](C)c3ccccc3)c2)c1 2325744039 IXRVQELYPAARGW-SFHVURJKSA-N 446.499 5.318 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(F)c(F)c3)c2)cc1OC 2325753444 PBHQLGHMOQKKNM-UHFFFAOYSA-N 438.426 5.026 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2cccc(C=CC(=O)c3ccc(F)c(F)c3)c2)c1 2325753610 CVVFHXPZELDDRF-UHFFFAOYSA-N 436.454 5.934 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2cccc(C=CC(=O)c3c(C)cc(C)cc3C)c2)c1 2325764641 WAGXWWYLFXHBEK-UHFFFAOYSA-N 444.527 5.673 30 10 IKEE CSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1ccc(C(C)(C)C)cc1 2325925829 HYPSMGAXWOJNQJ-UHFFFAOYSA-N 443.414 5.533 30 10 IKEE CCOc1c(Cl)cc(C=Nn2c(C)nnc2SCc2cc(C)cc(C)c2)cc1OC 2326398862 FTZACRPOIZHKLL-UHFFFAOYSA-N 444.988 5.439 30 10 IKEE CCCOc1ccc(C=Nn2c(C)nnc2SCc2ccc(C)cc2C)cc1[N+](=O)[O-] 2326433304 ZLLCTSJBYLSLRV-UHFFFAOYSA-N 439.541 5.075 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1ccc(Cl)cc1Cl 2326458422 VEVLQDFQBYEHSB-UHFFFAOYSA-N 447.435 6.719 30 10 IKEE CCCCC1CCC(c2nnc(SCCO)n2N=Cc2ccc(C(C)(C)C)cc2)CC1 2328202733 RVWNFTQBQYZZPA-UHFFFAOYSA-N 442.673 6.006 30 10 IKEE Cc1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCc2cccc(C)c2)cc1 2329817628 MGNSLJKVRHQCER-UHFFFAOYSA-N 430.552 5.799 30 10 IKEE COc1ccc(C=Nn2c(COc3ccccc3)nnc2SCc2ccc(C)cc2)cc1 2329872608 ASRBWFCYPYNBTD-UHFFFAOYSA-N 444.560 5.349 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)cc2)n1N=Cc1cccc(Br)c1 2329992630 VSKGTEARSKWUEG-UHFFFAOYSA-N 441.398 5.490 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2cccc(F)c2)n1N=Cc1cccc(O)c1 2330078518 LIJCOJMQFBSXSB-KRWDZBQOSA-N 432.524 5.449 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3ccccc3F)nnc2-c2ccccc2)cc1 2330672067 NCMYHSHAHOMTLP-UHFFFAOYSA-N 446.551 6.048 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccccc3OC)cc2)cc1 2330824699 RWUNOUXBNBMAIY-UHFFFAOYSA-N 444.527 5.918 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)cc(Cl)c1OC(=O)CC(C)(C)C 2330973812 HXPJZJNBNUYLOZ-UHFFFAOYSA-N 430.928 5.985 30 10 IKEE Clc1ccccc1C=Nn1c(SCc2cccc3ccccc23)nnc1[C@H]1CCCO1 2330979970 VTBVBZREBNZSHG-JOCHJYFZSA-N 448.979 6.111 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)CCCCCC 2331136003 QFJJEPHZPYEBKG-UHFFFAOYSA-N 440.967 6.849 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OC(=O)COCc1ccccc1 2331136416 XVGXLCTUJMJASN-UHFFFAOYSA-N 436.891 5.367 30 10 IKEE CC(C)COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2[N+](=O)[O-])cc1 2331170182 LUTCOPBPHMNWDN-UHFFFAOYSA-N 445.471 5.745 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cnc(C)cn3)c(Cl)c2)cc1 2331301029 NTLAVVLGOZFLKT-UHFFFAOYSA-N 436.895 5.343 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(OC)ccc2OC)ccc1OC(=O)c1ccccc1 2331391763 BCKSLBFJFWMDHY-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2Cl)cc1OC 2331520907 PPCPTELRKOWYIE-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(F)c(F)c2)cc1OC 2331554992 BWLAQZGHZAHSBL-UHFFFAOYSA-N 436.882 6.399 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 2331660202 UAGYDVSBDHNKJU-UHFFFAOYSA-N 445.471 5.644 30 10 IKEE CCC[C@](C)(COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339605997 LGYHHBSEWSLSAY-DQRYEYLNSA-N 446.397 5.189 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(C)cc(Br)c1OC 2365216565 VTHIEOLMJORXOG-MSOLQXFVSA-N 441.410 5.276 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(C)cc(Br)c1OC 2365246313 OYTWVSDLLMPSTN-ROUUACIJSA-N 441.410 5.276 30 10 IKEE Cc1cc(COc2cc(Cl)cc(Br)c2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369695389 GATSEIZEWBRHSG-UHFFFAOYSA-N 437.570 5.289 30 10 IKEE Cc1cc(Br)c(Oc2cc(C)c(C#N)c(C)n2)cc1NC(=O)OC(C)(C)C 2370348184 TWPFDXAMMXRELJ-UHFFFAOYSA-N 432.318 5.780 30 10 IKEE COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C/C1=Cc3ccccc3O[C@H]1C)C2=O 2135114 FCNXREDFYNNIRS-MMDHUZEPSA-N 440.451 5.238 30 10 IKEE CCc1ccccc1NC(=S)N/N=C1\C(=O)N(Cc2cccc(Cl)c2)c2ccccc21 3041567 LDPJGHPSBUMJHN-QYQHSDTDSA-N 448.979 5.140 30 10 IKEE C=CCOc1c(Cl)cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C)cc1OCC 13914975 LUQDOVXUQLFKQV-WQRHYEAKSA-N 431.319 5.763 30 10 IKEE CCCCCSc1nc2n(n1)[C@@H](c1cccc(Cl)c1)C1=C(CC(C)(C)CC1=O)N2 20850246 HJFCDOZPRJQOBK-IBGZPJMESA-N 431.005 5.872 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(OCC)c(Cl)c2)cc1 20884947 LIUPYHQYBSQZSA-MJGOQNOKSA-N 439.939 5.142 30 10 IKEE COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2C)c1 21245141 YBRBBOXXURWBKL-KWMCUTETSA-N 440.543 5.992 30 10 IKEE O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)c1cccc(N2CCCC2=O)c1 21629943 JNWVOUSYWGMKBY-BUHFOSPRSA-N 448.526 5.016 30 10 IKEE O=C1/C(=C/c2c[nH]nc2-c2ccc(F)cc2)SC/C1=C/c1c[nH]nc1-c1ccc(F)cc1 34145411 JTEOEBVHCGDKMH-BZGHZENOSA-N 446.482 5.485 30 10 IKEE C=CCc1ccc(OCCCCn2c([C@@H](C)N3CCCC3)nc3ccccc32)c(OC)c1 39917003 ANBXHHNRXXQOEF-OAQYLSRUSA-N 433.596 5.789 30 10 IKEE CC(C)c1ccc(OCCCC(=O)Nc2sc(=S)c3c(c2C#N)CC[C@H](C)C3)cc1 41018551 YSUKXKYYSVPISN-INIZCTEOSA-N 440.634 6.395 30 10 IKEE O=C(/C=C/c1ccc(Br)cc1)c1ccc(/N=C/c2c[nH]c3ccccc23)cc1 44420064 AZTYMGXTIWERII-QTAWEOQYSA-N 429.317 6.577 30 10 IKEE C=CCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3)nn2[C@@H]1/C=C/c1ccccc1 54643629 NVTMEYPLDLJNJZ-IBUXMESJSA-N 444.560 5.254 30 10 IKEE COc1ccc(/N=C2/C(=O)N(CN(C3CCCCC3)C3CCCCC3)c3ccccc32)cc1 59377832 ARXPGSDGIATSRR-ORIPQNMZSA-N 445.607 6.088 30 10 IKEE C=C(C)COc1cccc(NC(=O)CNc2ccccc2OCCOc2ccccc2)c1 66063933 ODWDIUMIAMPBND-UHFFFAOYSA-N 432.520 5.150 30 10 IKEE Cc1ccccc1N/C(=N\C(=O)c1ccc(Cl)cc1)NCCc1c[nH]c2ccccc12 85581300 ZREVAAJPLAJOMA-UHFFFAOYSA-N 430.939 5.570 30 10 IKEE Cc1c(OC(=O)c2ccc(F)cc2)ccc2c1O/C(=C\c1cn(C)c3ccccc13)C2=O 102733620 XCNZOZVRYVMGQD-QRVIBDJDSA-N 427.431 5.461 30 10 IKEE CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nccs3)[C@@H]2c2ccc(C(C)C)cc2)cc1 102904101 OHNABPLQJBPFML-SADKCHQCSA-N 448.544 5.292 30 10 IKEE FC1=C(F)[C@@](F)(OCC(F)(F)C(F)F)[C@@H](F)C(F)=C1OCC(F)(F)C(F)F 106122689 MNDBIOHPAGEXBD-QTTZVWFDSA-N 430.160 5.170 30 10 IKEE CCC[C@@H](CS)COc1c(Br)cc(Br)cc1Br 127127889 SCPPJEXFWFXFJT-MRVPVSSYSA-N 447.030 5.699 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2cccc(C)c2C)cc1 169924986 ZEMZAZMSXGARQT-VWLOTQADSA-N 441.527 5.712 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2cccc(F)c2)c1 169928894 OUICNLOPWRJRCO-QHCPKHFHSA-N 443.430 5.363 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2cccs2)c1 169981792 RIHAATXTULTYHF-JOCHJYFZSA-N 433.529 5.547 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccs1 169984692 RCEINTUIBCCYEO-LJQANCHMSA-N 427.884 5.632 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2cccc3ccccc23)[C@@H]1c1cccnc1 170008507 RJGCZPCBXXUTRH-AREMUKBSSA-N 434.495 5.337 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2cccs2)c1 170160319 XRBAVDZHTMQXAS-HSZRJFAPSA-N 445.540 5.424 30 10 IKEE Cc1ccc(-c2csc(C3=C(N)N(Cc4cccc(C(F)(F)F)c4)CC3=O)n2)cc1C 170180144 LRZTVGQGJSRGMI-UHFFFAOYSA-N 443.494 5.158 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(Cl)cc1 170236753 IDMHKKXKDGJKHR-QFIPXVFZSA-N 441.955 5.896 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccccc1F)c1cc2ccccc2o1 170247848 DFWBMDCKLDEWHK-QFIPXVFZSA-N 431.394 5.494 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2c[nH]c3ccccc23)cc1 170256505 KVGPQIYQEPEXHT-DEOSSOPVSA-N 444.531 5.476 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C(C)C)c3)[C@H]2c2ccco2)cc1 170284617 QAZNCFSXAJFRAF-HSZRJFAPSA-N 447.487 5.203 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccc(C)o2)c1 170299925 LUCPAGMGKWDVMX-XMMPIXPASA-N 445.515 5.777 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccc(C)o2)c1 170301631 NBYNGVIQLWCCLU-XMMPIXPASA-N 445.515 5.777 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1Cc1cccs1 170312589 IRZBZFCNUHYTJQ-NRFANRHFSA-N 445.565 6.050 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1cccc2ccccc12)c1cccs1 170370428 FAFXSMWJYXEYRU-JOCHJYFZSA-N 445.927 6.338 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(Cl)cc2)cc1Cl 170375934 RAGFKEXSBNNMJV-LJQANCHMSA-N 428.271 5.678 30 10 IKEE CC(C)/C(=N/B(/N=C(\c1ccccc1)C(C)C)/N=C(/c1ccccc1)C(C)C)c1ccccc1 205444493 UMKKMHFJXQQQJP-VTVHASLQSA-N 449.451 7.407 30 10 IKEE CCCN1C(=O)/C(=C/c2ccc(OC)c(Cl)c2)SC1=Nc1ccc(OCC)cc1 252599761 DLGWNTCNKOEYDP-OMSSWJLUSA-N 430.957 5.761 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccc(N(C)C)cc2)nnc1-c1ccc2ccccc2c1 253560600 AZWIHUXNILTRFY-UHFFFAOYSA-N 443.576 5.081 30 10 IKEE Oc1c(F)cccc1C=Nc1ccc(Oc2ccc(N=Cc3cccc(F)c3O)cc2)cc1 263630611 QFSKVYNRQCMLKO-UHFFFAOYSA-N 444.437 6.670 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3cccc4ccccc34)[C@@H]2c2cccc(Cl)c2)cc1 526489457 ALQFIGMBZMYAEW-VWLOTQADSA-N 436.898 6.422 30 10 IKEE Cc1[nH]c2ccccc2c1[C@@H]1C(c2ccc(Cl)cc2)=C(O)C(=O)N1c1cccc(C#N)c1 526513999 ABYCOQVATPSZBD-XMMPIXPASA-N 439.902 6.059 30 10 IKEE Cc1ccc([C@H]2C(c3ccc(Cl)cc3Cl)=C(O)C(=O)N2c2ccccc2C#N)cc1 526608800 NWWVNJFQHVJWER-QFIPXVFZSA-N 435.310 6.231 30 10 IKEE CCCOc1c(Cl)cc(/C=N\n2cnnc2SCc2cc(C)ccc2C)cc1Cl 526818602 RDKBDQVWOPAIPO-GATIEOLUSA-N 449.407 6.165 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccccc1C(=O)O 526822170 UGAZRMXUOYEUSI-MYYYXRDXSA-N 430.533 5.257 30 10 IKEE CCCCCCCCCCCC(=O)Oc1ccc(N=Cc2ccc(SC)cc2)cc1 575329287 ROUIIBWXKYKQLA-UHFFFAOYSA-N 425.638 7.985 30 10 IKEE CC(C)Oc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2cccc(Cl)c2)cc1 586257175 WRJHXTDMTAGJSD-UHFFFAOYSA-N 440.952 5.394 30 10 IKEE CCCCCCCC[C@@H](NCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 693657861 UAJDKJGUXFCPJE-SHQCIBLASA-N 445.692 5.885 30 10 IKEE C[C@H]1CC[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)CN1C(=O)OC(C)(C)C 698898624 IXDGDDSYTJPEKI-KSFYIVLOSA-N 435.590 5.167 30 10 IKEE O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)COc2ccc(Cl)cc21 725333794 ZSQNPDZTFHVYSO-CXUHLZMHSA-N 445.729 6.885 30 10 IKEE Brc1ccc(C=Nc2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1 1084074341 JURCQCLMERDIMU-PFATUAPWSA-N 429.361 7.026 30 10 IKEE Cc1ccc(-c2nc(N=Cc3ccc(F)cc3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 1084174463 MJQPNYUKNDCBSS-UHFFFAOYSA-N 431.492 6.892 30 10 IKEE C(=Nc1cccc2c(N=Cc3cccc4ccccc34)cccc12)c1cccc2ccccc12 1084458468 RCTZZWBDMMUEAP-UHFFFAOYSA-N 434.542 8.647 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1C)[C@H](C)CC 1861011670 ZXSAMUHTGNZHTI-XMSQKQJNSA-N 433.593 5.305 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)COc1cccc(C)c1C 1861642192 ZSGYVMCFRZUOSD-HSZRJFAPSA-N 432.649 5.614 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(Cl)cc2)n(-c2cccc3ccccc23)n1 1862361670 XFCMYLDPGWZNJC-UHFFFAOYSA-N 427.935 6.160 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1cccc(OCC)c1 1862384595 VXAQACSLXATKAW-LJQANCHMSA-N 434.319 5.380 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@H]1c1ccc(CC)cc1 1862391042 RIBOBQRBJFTESR-AREMUKBSSA-N 447.619 6.750 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(O)cc2)cc1C 1862401322 YPRDAWMYKSRGLV-HSZRJFAPSA-N 435.520 5.010 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccc(N(C)C)cc2)cc1 1862478088 YRCYGDQIHSFMQN-RUZDIDTESA-N 444.575 5.530 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccc(C)cc2)c1 1862478643 NABBNSOQOICJSK-VWLOTQADSA-N 441.527 5.481 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccccc1F 1862524329 BYXDYGPITFDUOF-LJQANCHMSA-N 446.316 5.213 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc(N(CC)CC)cc2)cc1 1862539618 ZNAZRGYWWJCAPW-DEOSSOPVSA-N 434.580 5.330 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 1862722674 WRPWOFKVIJDVCV-AREMUKBSSA-N 449.506 6.034 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2C(C)(C)C)=C(c2cccs2)C1=O 1863482046 DZOZBQSOMBWGBW-UHFFFAOYSA-N 438.637 6.598 30 10 IKEE CC[C@H]1Cc2cc(OC)ccc2N(c2cc(Nc3ccc(C#N)cc3)nc(C(C)C)n2)C1 1868243126 VLGZIGDPYQHKCO-SFHVURJKSA-N 427.552 5.944 30 10 IKEE Cc1nc(Nc2cccc(C#N)c2)cc(N2CCc3ccccc3[C@@H]2CCc2ccccc2)n1 1868466713 AGZXHVWBJYRXQF-MHZLTWQESA-N 445.570 6.137 30 10 IKEE CCCCCCCCCCn1cc(OCCCC)c(=O)cc1CN(CCC)CCCC 1870664206 XKXOAKDRXODTSP-UHFFFAOYSA-N 434.709 7.180 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(C)cc2)cn1Cc1ccc(C)cc1 1870769251 LJTGGOHKNSGWOD-UHFFFAOYSA-N 428.576 5.266 30 10 IKEE CCCCCCCOc1cn(CCCCCO)c(CNc2ccc(Cl)cc2)cc1=O 1870838036 LCQYXMMUGLPVRS-UHFFFAOYSA-N 435.008 5.626 30 10 IKEE C=CCn1cc(OCCCOc2ccc(Cl)cc2)c(=O)cc1CNc1cccc(C)c1 1871219158 YDNXUNSJMRYLOG-UHFFFAOYSA-N 438.955 5.456 30 10 IKEE CCCCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1cn(C)c2ccccc12)C3=O 1871352167 SGOIUSGODUGTEG-OYKKKHCWSA-N 430.548 5.835 30 10 IKEE CCCCN1COc2c(cc3c(c2C)O/C(=C\c2ccc(Br)cc2)C3=O)C1 1871352425 IFLUYGWIMCSBJH-GRSHGNNSSA-N 428.326 5.326 30 10 IKEE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O 1871364801 TVORDSKNNZNTQA-XGTDKWECSA-N 445.254 5.576 30 10 IKEE Cc1c(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc2c1O/C(=C\c1ccccc1)C2=O 1871373005 WLADKJFBPJIRHE-JAIQZWGSSA-N 435.819 5.392 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OC(=O)/C(Cl)=C/c4ccccc4)cc(C)c3C2=O)c1 1871377222 AGLLPDJTBNJDAI-GOIUUMNHSA-N 430.887 6.105 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\C=C\c2ccccc2)C3=O)c1 1871387365 RDXUACQYIRSMCH-KIKGYRQASA-N 426.468 5.785 30 10 IKEE Cc1cc(O)c(CN2CCCC[C@H]2CCO)c2c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O2 1871395939 DDAYCCYMNOLYHS-UCHNXLLDSA-N 435.564 5.177 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCCOc4ccc(C(C)(C)C)cc4)ccc3C2=O)c1 1871414279 DWEAIBKYGWELIM-ONUIUJJFSA-N 428.528 6.367 30 10 IKEE CCCCCCCCCOc1cc(C)c2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O 1871429871 RAQXPNKHYKWWPQ-KQWNVCNZSA-N 430.947 7.533 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4cccc5ccccc45)c3C)C2=O)c1 1871452936 XDXFJHLOOGRLHG-QQXSKIMKSA-N 449.506 6.090 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 1871836547 VTHNHKQBWREOBQ-XMMPIXPASA-N 442.625 5.493 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(C(C)C)cc1)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1871851775 PBBLLWRYMCCAIX-CVDCTZTESA-N 428.598 5.040 30 10 IKEE C=C(C)CN([C@H](C)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1c(C)cc(C)cc1C 1872434015 XESFGFNCFLJVHK-OAQYLSRUSA-N 442.625 5.329 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(C)c(C)c1 1872555717 WZEOIDYZVGJRLC-DEOSSOPVSA-N 442.625 5.294 30 10 IKEE N#Cc1cccc(NC(=O)c2ccc3nc(-c4cccc(OCc5ccccc5)c4)[nH]c3c2)c1 1872735532 YCKJJCFUFDJFSP-UHFFFAOYSA-N 444.494 5.933 30 10 IKEE N#C[C@H](C(=O)Cc1c[nH]c2ccccc12)c1nc(-c2cccc(Br)c2)cs1 1872764029 CFPDPKLVTJRHHU-QGZVFWFLSA-N 436.334 5.473 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(Cl)c(Cl)c3)n2)cc1C 1872765015 DZFFOYNCVJXCNM-IEXSPKMKSA-N 443.355 6.324 30 10 IKEE CC(C)COc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1 1872769140 KRKJNJSQWCSISY-KRWDZBQOSA-N 445.371 6.642 30 10 IKEE CCOc1ccc(CCC(=O)[C@@H](C#N)c2nc(-c3cc(C)ccc3C)cs2)cc1OC 1872772350 NLFNKXTTYXRVSY-HXUWFJFHSA-N 434.561 5.643 30 10 IKEE CC(C)c1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(Cl)c(Cl)c3)n2)cc1 1872776687 UYOZEGBMPPDWHU-MUFCHLESSA-N 441.383 7.130 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@@H](C#N)C(=O)Cc2cc(Cl)ccc2Cl)n1 1872781181 QDRLHJOXLCSMKA-KRWDZBQOSA-N 445.371 6.161 30 10 IKEE Cc1sc([C@H](C#N)C(=O)CN2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccc(Br)cc1 1872801257 ZSIKHUBBLHMTJC-QWQRMKEZSA-N 446.414 5.035 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccccc2)=C(c2ccccc2C)C1=O 1873100531 VPYPNGAUQCGQQD-UHFFFAOYSA-N 432.608 6.005 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(OC)cc2)=C(c2cccc(OC)c2)C1=O 1873218254 DCMUGDWEFLFYKS-UHFFFAOYSA-N 436.552 5.256 30 10 IKEE CCCc1nnc(SCc2ccccc2)n1/N=C/c1cc(Br)ccc1OC 1873500953 HZOSAICLQJHCCO-LPYMAVHISA-N 445.386 5.176 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C(F)(F)F)c2)cc2c(NCCCCC)ncnc21 1873623223 VDUAFFOJLOTNKV-UHFFFAOYSA-N 431.462 5.491 30 10 IKEE Cc1c(CC(=O)Nc2cccc(C#N)c2)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 1873867511 ZPDWBERNYNKDPU-UHFFFAOYSA-N 434.451 5.568 30 10 IKEE CCCCCCCCNC(=O)[C@@H](C)Oc1cc2oc(=O)cc(CCCC)c2cc1Cl 1873892227 WMUIDNZVFCDNRG-QGZVFWFLSA-N 435.992 6.033 30 10 IKEE CCCSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1cccc(F)c1 1874226514 ORLYOSDEWZILSE-PCLIKHOPSA-N 426.561 5.430 30 10 IKEE CCSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccc(Cl)c(Cl)c1 1874267482 ZPLJEHVNMYWTJA-LSHDLFTRSA-N 441.771 5.812 30 10 IKEE Clc1ccccc1CSc1nnc(COCc2ccccc2)n1/N=C/c1ccccn1 1874355621 SYAKYZYBPDKXMF-VULFUBBASA-N 449.967 5.218 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2cccc(F)c2)n1/N=C/c1cccc(O)c1 1874361810 XMKZNEOTIFPGRH-JVWAILMASA-N 446.551 5.391 30 10 IKEE CSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1ccc(OCc2ccccc2C)cc1 1874386511 STQHXFMYNOWMRT-WPWMEQJKSA-N 442.588 5.669 30 10 IKEE COc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccc(C)cc2)cc1 1874415592 YDZWGBJKFPXXEL-YZSQISJMSA-N 428.561 5.360 30 10 IKEE Clc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CCCC2)cc1 1874457465 QEMADGRVCRSRLA-ZMOGYAJESA-N 431.392 6.417 30 10 IKEE COC(=O)c1ccc(/C=N/n2c(CC(C)C)nnc2SCc2ccc(Cl)cc2)cc1 1874491487 UIAOAMXJEUYKNJ-ZMOGYAJESA-N 442.972 5.091 30 10 IKEE COc1ccc(OC)c(/C=N/n2c(SCc3cc(C)ccc3C)nnc2C2CCC2)c1 1874495831 HRFCATHFRHJEHK-AFUMVMLFSA-N 436.581 5.354 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccc(C(C)(C)C)cc1 1874525785 GBIWBEQGWWGGMI-DHRITJCHSA-N 447.435 6.619 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(C)cc2C)cc1 1874578932 NRJOJSQIBYFSBD-MDWZMJQESA-N 447.962 6.433 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3cccc(C)c3)c2)cc1C 1874593465 LEPVISAQEIIODB-DHZHZOJOSA-N 445.515 5.234 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccccc3F)c2)c1C 1874599423 MEWZYNOCUNENAK-OUKQBFOZSA-N 431.507 5.973 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCCc1ccccc1 1874601979 NLARWOICOUYDLD-ZHACJKMWSA-N 437.879 5.774 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 1874610911 RXXDBQSVBJLDJX-QDEBKDIKSA-N 438.823 5.632 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OCC(=O)Nc1ccccc1C 1874614011 YYADQVZKZFTEHH-FOCLMDBBSA-N 441.527 5.646 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1Cl)Nc1ccccc1F 1874624979 GKSVVBJMCAUZDC-VZUCSPMQSA-N 427.834 5.532 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2Cl)o1 1874625186 QCZLQSMRNNXYAA-XCVCLJGOSA-N 428.843 5.724 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)ccc1OCc1ccccc1 1874639487 BHTZZHZHXONCET-SDNWHVSQSA-N 448.515 5.586 30 10 IKEE Cc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc4ccccc4c3)c2)cc1C 1874692520 LFYCOCODRKWGNF-RVDMUPIBSA-N 436.507 6.337 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(OC(C)=O)cc3)c2)cc1 1874695859 VVBQMTQCLTYZHK-WOJGMQOQSA-N 442.511 6.070 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C(C)C)cc3)c2)cc1OC 1874709355 BXWDHOAARYDKCL-RIYZIHGNSA-N 444.527 5.871 30 10 IKEE COc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c(C)c3C)c2)cc1OC 1874711511 BBOGYEXZAHCMNJ-FMIVXFBMSA-N 446.499 5.445 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)cc(Br)c1O 1874719264 BNDAXYVQLRNNIW-SNAWJCMRSA-N 446.124 5.765 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Br)cc3)cc2)cc1C 1875108700 BLTLVTWXGNDTDL-MKMNVTDBSA-N 435.317 6.181 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1 1875117894 WZWCXVZNESYOIK-LICLKQGHSA-N 445.471 5.564 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2[N+](=O)[O-])c1 1875118354 ZDDNRXATMXYQHH-YCRREMRBSA-N 446.415 5.235 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cncc(C)c3)c(OCC)c2)cc1 1875130484 IVYIALWFRGXETB-WUXMJOGZSA-N 431.488 5.303 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1OC 1875134566 YQLJPTAVKWIKTF-VMPITWQZSA-N 427.711 6.257 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OC(=O)Cc1cccs1 1875154633 OJTYRXUHBDNYCA-WYMLVPIESA-N 442.536 6.344 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1ccccc1C 1875170169 KKKYHTQIHTZSSN-ACCUITESSA-N 428.528 6.353 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1Cl 1875175267 HJXXCOIZBJXJTJ-JLHYYAGUSA-N 448.946 6.400 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1ccccc1C 1875183610 KDNHTLWCDCWHOV-ACCUITESSA-N 428.528 6.434 30 10 IKEE Cc1cc(CN(Cc2ccccc2)Cc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 1892505978 GXVBSJQNTJQQNZ-UHFFFAOYSA-N 427.397 5.497 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1)NCCC 1922069730 SUPXSVSHIAYXJQ-HJOGWXRNSA-N 430.633 5.459 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)[C@H](CNC(=O)OC(C)(C)C)CCCC12CCC2 1924816203 BXCUPJLJTRIGFP-XHNVNVPESA-N 449.636 5.779 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)C23CC3)cc1 1925709790 RNQJOPZQVIFARI-DEOSSOPVSA-N 427.545 5.172 30 10 IKEE CCCN[C@@H](CC#CC1CCCCC1)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 1944817239 YOFANACQOMTNHD-VWLOTQADSA-N 426.645 6.156 30 10 IKEE N#Cc1ccccc1[C@@H](CCCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 1951669098 SSNUHEWZQWFKBV-RUZDIDTESA-N 440.499 5.393 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@@]2(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1953300260 XXFVVEBFILEUGR-YASKCIBGSA-N 441.572 5.009 30 10 IKEE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)c1ccc(C(F)(F)F)c(C#N)c1 2006273879 COMPKKAVANEYLZ-UHFFFAOYSA-N 433.474 5.498 30 10 IKEE C=CCCCCCCCC[C@H](N)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2026312748 JNBMCYIHCQIMSI-NHTMILBNSA-N 432.649 6.119 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@](C)(C#N)[C@@H]1CCCSC1 2029443081 KKVSBQHAUGNLIL-KUHUBIRLSA-N 425.392 5.616 30 10 IKEE CCCCCCC[C@H](NCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2041898470 ZSVRFYCFYGJHKG-RPLLCQBOSA-N 446.676 6.169 30 10 IKEE Cc1ccc([C@@H](n2nc(C(F)(F)F)c(C#N)c2I)C2(C)CC2)cc1 2079040995 QMMAQWGTYDXPBP-CQSZACIVSA-N 445.226 5.076 30 10 IKEE CC1(c2nn([C@@H](c3ccc(C4CCC4)cc3)C3CCC3)c(Br)c2C=NO)CC1 2079980460 DUDRVXKGSYMAAK-HXUWFJFHSA-N 442.401 6.162 30 10 IKEE CC(C)[C@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C2CC2)c(C=NO)c1Br 2079992490 DTBKJERRHWSLIZ-MRXNPFEDSA-N 448.258 5.734 30 10 IKEE Cc1nn([C@H](c2ccc(C(F)(F)F)cc2)C(C)(C)C)c(I)c1C#N 2080029602 AUSHRIJGPVZDAJ-CQSZACIVSA-N 447.242 5.322 30 10 IKEE COc1ccc([C@@H](n2nc(C(F)F)c(C=NO)c2Br)C2(C)CC2)cc1C 2080042972 NWUSSCAWKSFHBP-OAHLLOKOSA-N 428.277 5.098 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCC)c2cc(Cl)cc(Br)c2)C1 2081565507 GOXPKSNSBLAUCZ-INIZCTEOSA-N 429.786 5.367 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(Br)ccc(Cl)c1F 2098957530 YRPMFTFQSNRZFH-YOEHRIQHSA-N 449.792 5.752 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1c(F)cc(Br)cc1F 2170704176 MPWPOMJBVPQEKF-KRWDZBQOSA-N 437.284 6.042 30 10 IKEE CC(C)(C)OC(=O)NCC(C)(C)C1CCN(c2ccc(Br)cc2C#N)CC1 2174809330 YOWDEDYQCWFTPV-UHFFFAOYSA-N 436.394 5.088 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2cc(Br)ccc2C#N)C[C@H]1C1CCC1 2194110718 DRQYQIMHRTXEOU-MJGOQNOKSA-N 434.378 5.301 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2cc(Br)c(C#N)cc2F)CCC12CCC2 2233906596 NTVWMUSRXLAWHS-AWEZNQCLSA-N 438.341 5.194 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)C[C@H](C)CCNC(=O)OC(C)(C)C 2235747466 QDIWEBFDEXXWBA-IEBWSBKVSA-N 437.422 5.110 30 10 IKEE CCCCCCCCCOCC(=O)c1cc(Br)sc1Br 2239535825 HDLMMQSWDQIHFT-UHFFFAOYSA-N 426.214 6.223 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(OC)c(Br)s1 2263739685 POKSANRXDSLYJL-WFASDCNBSA-N 433.412 5.029 30 10 IKEE Cc1c(Br)sc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)c1C 2265878155 BRLXSIZNMKRTAV-OAHLLOKOSA-N 439.350 6.273 30 10 IKEE C=CCCC1(C(=O)Cc2ccc(Cl)cc2Br)CN(C(=O)OC(C)(C)C)C1 2266206913 JJEWFPKHKAIDDM-UHFFFAOYSA-N 442.781 5.417 30 10 IKEE Cc1cccc(N2C(=O)C(=C3Sc4ccccc4N3C)SC2=Nc2ccc(F)cc2)c1 2295178758 XGHFKLYZRCEBSE-UHFFFAOYSA-N 447.560 6.313 30 10 IKEE CC(C)(C)OC(=O)Nc1c(Cl)cc([C@H](O)C#Cc2ccccc2Cl)cc1Cl 2295236099 BOAPUZQKNLVIKB-QGZVFWFLSA-N 426.727 6.079 30 10 IKEE CCOc1ccc([C@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2c2cccc(Cl)c2)cc1 2296193980 YJEAIVDFNQKTTI-QFIPXVFZSA-N 433.891 5.365 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H](CC=C(C)C)NC(=O)OC(C)(C)C 2296273528 PKJAAKGKDDMVSW-WOJBJXKFSA-N 435.406 5.028 30 10 IKEE CC(C)c1ccc(NC(=S)NN=Cc2cn(-c3ccccc3)nc2-c2cccs2)cc1 2296405169 PNVZBIZQJYCPBL-UHFFFAOYSA-N 445.617 6.045 30 10 IKEE C=CCSC1=NC(=Cc2ccc(OCC)c(OC)c2)C(=O)N1c1ccc(F)c(Cl)c1 2297337818 LGYCUKMPRHGPTJ-UHFFFAOYSA-N 446.931 5.549 30 10 IKEE COc1ccc([C@@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 2297451406 QMPAZLQZGXTCEK-RUZDIDTESA-N 425.484 5.186 30 10 IKEE Cc1[nH]c2ccccc2c1C=C1SC(=Nc2ccccc2F)N(C2CCCCC2)C1=O 2297616373 MRUNVECOXSFLCB-UHFFFAOYSA-N 433.552 6.552 30 10 IKEE O=C1C(=O)N(c2ccc(Br)cc2)[C@@H](c2ccccc2)C1=C(O)c1ccccc1 2297745414 CUZHAURJCHYASZ-FQEVSTJZSA-N 434.289 5.075 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2Oc3ccc(Cl)cc3C2=O)c(C)c1 2314519456 PKLUGLZGFWZAGZ-UHFFFAOYSA-N 442.902 6.126 30 10 IKEE O=C(C=Cc1cccc(OCc2ccccc2)c1)C(=O)Nc1cccc(Cl)c1Cl 2318788800 RTQQSHFJGVNDFN-UHFFFAOYSA-N 426.299 5.793 30 10 IKEE Clc1ccc(CSc2nnc(C3CC3)n2N=Cc2ccccc2Cl)cc1Cl 2320892173 FHXGLCSHLGFDPV-UHFFFAOYSA-N 437.783 6.290 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCC=Cc4ccccc4)c3C)C2=O)c(OC)c1 2321813921 IRZFOUWEKZQULJ-UHFFFAOYSA-N 428.484 5.721 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccccc1Cl)C3=O)CN(CCc1ccccc1)CO2 2322286991 YZJDAZCPXDGWEO-UHFFFAOYSA-N 431.919 5.659 30 10 IKEE CCCNC(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc(Cl)cc1Cl 2322391006 JDWXVIFUJWIXEC-UHFFFAOYSA-N 426.727 5.448 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Br)ccc2OCc2ccccc2)cc1 2322391495 SLMJLPFDNYQMAY-UHFFFAOYSA-N 449.388 7.267 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccccc1Cl 2322436535 IFNUDKJLHXNXFB-UHFFFAOYSA-N 449.978 6.417 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OC(=O)c4ccc(Cl)cc4)cc(C)c3C2=O)cc1 2322705089 FUBMWPIHGKVZGG-UHFFFAOYSA-N 434.875 5.883 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(C)c2)C3=O)cc1OC 2322748656 PONJDYNQBPTRED-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE Cc1c(OC(=O)Cc2cccs2)ccc2c1OC(=Cc1c(Cl)cccc1Cl)C2=O 2322872245 RUHDZLHNXADTBP-UHFFFAOYSA-N 445.323 6.128 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccccc2C)c2ccccc12 2323019049 PSBPRQUNTMDZJY-UHFFFAOYSA-N 442.942 7.285 30 10 IKEE CCCCCCCCCOc1ccc(C=NNc2cnn(C)c(=O)c2Cl)c(Cl)c1 2323222956 LMXBDOVOCPXXIC-UHFFFAOYSA-N 439.387 5.663 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1OCc1ccccc1Cl 2323259117 IECUVFQCOORQHJ-UHFFFAOYSA-N 434.963 7.057 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)cc1 2323464904 BITHDZXNGSDIFN-UHFFFAOYSA-N 437.898 5.955 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2cccc(OC)c2)cc1OCC 2323503652 RYFXFZHFYOZWFK-UHFFFAOYSA-N 439.552 5.017 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)C=Cc4ccc([N+](=O)[O-])cc4)cc(C)c3C2=O)o1 2323601910 IILOALOCPBPSNZ-UHFFFAOYSA-N 431.400 5.040 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2C)C3=O)CC1 2323652788 AZRKROUNWPHNQR-UHFFFAOYSA-N 432.560 6.822 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2ccccc2OC)cc1Cl 2323701712 LUNLXVHZAXWZKZ-UHFFFAOYSA-N 449.934 5.825 30 10 IKEE C=C(C)COc1ccc(C=CC(=O)c2ccc(OCCC)c(OCCC)c2)cc1Cl 2323744812 GVCVCGLZVJPREM-UHFFFAOYSA-N 428.956 6.769 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3c(C)cccc3C)c([N+](=O)[O-])c2)cc1 2323900722 HBLUYUZOGCEYBX-UHFFFAOYSA-N 444.487 5.434 30 10 IKEE CCCOc1c(Br)cc(C=CC(=O)c2cc(OC)ccc2OC)cc1OCC 2324029725 IDVCKORNTROCEG-UHFFFAOYSA-N 449.341 5.550 30 10 IKEE Cc1cc(O)c(CN(C)C2CCN(C)CC2)c2c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O2 2324035219 KVLQQDOTWMLWSW-UHFFFAOYSA-N 448.607 5.140 30 10 IKEE Cc1cc(O)c(CN(C)Cc2ccccc2)c2c1C(=O)C(=Cc1ccc(N(C)C)cc1)O2 2324077664 ZSSRKZVBMDBTJQ-UHFFFAOYSA-N 428.532 5.015 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Cl)c1OCc1ccc(C)cc1 2324234699 ZRKGNRYYAACROY-UHFFFAOYSA-N 428.862 6.410 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OCc1ccc(F)cc1 2324355932 GEAHSAUPOPOFEP-UHFFFAOYSA-N 432.535 6.933 30 10 IKEE COc1cccc(C=C2Oc3cc(OCCOc4cccc(C)c4)cc(C)c3C2=O)c1OC 2324527501 FQHNKJRZVBOGFJ-UHFFFAOYSA-N 446.499 5.395 30 10 IKEE C[C@@H](Oc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O)C(=O)Nc1ccc(Cl)cc1 2324610131 SZBCWVPRNJYRTL-CQSZACIVSA-N 437.854 5.501 30 10 IKEE CC[C@@H](C)Oc1cc(C)c2c(c1)OC(=Cc1cc(Br)cc3c1OCOC3)C2=O 2324718603 BCLOKDYZQQRUOC-CYBMUJFWSA-N 445.309 5.418 30 10 IKEE COc1ccc(C=C2Oc3cc(OCc4ccc(C#N)cc4)cc(C)c3C2=O)c(OC)c1 2324757039 UABUCPIQSHZPEZ-UHFFFAOYSA-N 427.456 5.079 30 10 IKEE CC[C@@H](Oc1ccc2c(c1)OC(=Cc1ccco1)C2=O)C(=O)Nc1cc(Cl)ccc1C 2324837628 FTNPNKSCXKLFRJ-HXUWFJFHSA-N 437.879 5.654 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C)cc4C)cc(C)c3C2=O)c1 2324892280 NVLLQHZMEXBAJL-UHFFFAOYSA-N 427.500 5.554 30 10 IKEE CCCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(N(CC)CC)cc1 2325548668 HDGACTFDQJFMNQ-UHFFFAOYSA-N 425.577 5.390 30 10 IKEE CCN(CC)CCOc1ccc2c(c1C)OC(=Cc1cn(CC)c3ccc(OC)cc13)C2=O 2325703334 HIBYQYRURCXWRP-UHFFFAOYSA-N 448.563 5.315 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccc(Cl)cc2)C3=O)c1C 2325738209 QXLKMOSOPUBPST-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(Cl)cc3)c2)cc1 2325739178 QXQTUPPUJFFDEI-UHFFFAOYSA-N 434.919 6.173 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 2325741434 XONWTDGQLUXBQP-UHFFFAOYSA-N 449.434 5.475 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1OC(=O)CCCOc1ccccc1 2325750889 FHADMAVIHLLXFK-UHFFFAOYSA-N 434.463 5.495 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC(=O)c2ccc(C)cc2)c1 2325752537 SEBGSWSRYVCWNG-UHFFFAOYSA-N 428.528 6.416 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(F)c(C)c3)c2)cc1Cl 2325768278 WQTQQMILTMNULG-UHFFFAOYSA-N 438.882 5.840 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)c2cccc(Cl)c2)c1 2325783142 CACHJPYTVYKFDJ-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE CSc1nnc(CCCOc2ccccc2C)n1N=Cc1ccc(Cl)cc1Cl 2327048365 LGCOITJHFIHZLY-UHFFFAOYSA-N 435.380 5.509 30 10 IKEE CCCSc1nnc(CCc2ccccc2Cl)n1N=Cc1cccc([N+](=O)[O-])c1 2327976769 CTVHZFXWEMMUKD-UHFFFAOYSA-N 429.933 5.009 30 10 IKEE Clc1ccc(CCc2nnc(SCc3ccccc3)n2N=Cc2cccs2)cc1 2328056648 MLQITVNUVJWFGO-UHFFFAOYSA-N 439.009 5.953 30 10 IKEE C=CCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc(Cl)c(Cl)c1 2329114605 XHLYBVCLVFMGCN-UHFFFAOYSA-N 437.783 5.989 30 10 IKEE C=CCSc1nnc(Cc2cccs2)n1N=Cc1ccc(OCCC)c(OCC)c1 2330399531 XXEAWABXPOCPCN-UHFFFAOYSA-N 442.610 5.278 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccccc2)n1N=Cc1c(F)cccc1Cl 2330638280 VWZWKJBURVKWLJ-UHFFFAOYSA-N 436.943 6.221 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1 2330802183 JEEOSIPHGINVEX-UHFFFAOYSA-N 429.274 6.177 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3ccc(C=CC(=O)c4ccccc4Cl)cc3)c(C)c2c1 2330911115 ATHGTOYNIPGLGV-UHFFFAOYSA-N 429.903 6.553 30 10 IKEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)CCc1ccccc1C 2331048450 GXWOUPIEIRCWFJ-UHFFFAOYSA-N 445.471 5.346 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)C(C)C)c(OC)c2)cc1OCCC 2331115434 PBFLHHIALZCZEF-UHFFFAOYSA-N 440.536 5.730 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SCCC)nnc2C(F)(F)F)cc1OCC 2331146842 DHDOSYAWANHBRT-UHFFFAOYSA-N 444.523 5.649 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccco3)n2N=Cc2cn(C)c3ccccc23)c1 2331183474 QKFSRMMGSZDXIV-UHFFFAOYSA-N 427.533 5.513 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)cc3F)c(Cl)c2)cc1 2331260316 VOSMZJMQZGSKQL-UHFFFAOYSA-N 426.846 5.971 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCSC)c(OCC)c2)cc1 2331310804 KCQXTLNCNDMKJU-UHFFFAOYSA-N 442.577 5.819 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)c1ccc(C)c(C)c1 2331519428 BEKCMHCWGSPNNU-UHFFFAOYSA-N 434.463 5.575 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1ccc(Cl)cc1Cl 2331630411 IWBPRKQZRDVZDF-UHFFFAOYSA-N 448.379 5.150 30 10 IKEE CCCc1nnc(SCc2ccccc2C)n1N=Cc1ccc(OCC)c(OCC)c1 2331632569 LPGHVGKCCLINDH-UHFFFAOYSA-N 438.597 5.511 30 10 IKEE CCc1csc(SCc2ccc(B3OC(C)(C)C(C)(C)O3)c(Br)c2)n1 2349805430 AXPDTHGJOGUDPW-UHFFFAOYSA-N 440.237 5.060 30 10 IKEE C=CC[C@H](Oc1ccnc2ccc(Br)cc12)[C@@H]1CCN1C(=O)OC(C)(C)C 2361019335 WKFBTMILVHNOQZ-HKUYNNGSSA-N 433.346 5.330 30 10 IKEE CN[C@H](C#Cc1ccc(Br)cc1)c1ccc(NC(=O)OC(C)(C)C)cc1Cl 2361081328 GSGPTWCUMZFWSX-LJQANCHMSA-N 449.776 5.762 30 10 IKEE CC(C)(C)c1cc(/C=N/[C@H](c2ccccc2)[C@@H](O)c2ccccc2)c(O)c(C(C)(C)C)c1 6995583 IXZSHYIACBWIFQ-UPKFUJAESA-N 429.604 6.881 30 10 IKEE CCCOc1ccc(C(F)(F)F)cc1NC(=O)/C=C/c1ccc(OCC#N)c(OC)c1 14582820 GFJANAMLTNRZQC-WEVVVXLNSA-N 434.414 5.057 30 10 IKEE COc1cccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(Cl)c(Cl)c2)C3)c1OC 21221359 IZSOCYLUXDHTKQ-ZFWWWQNUSA-N 446.330 5.015 30 10 IKEE CN(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(Cl)cc2)cc1 21222608 ZZWJBQGIFAGBDN-UZTOHYMASA-N 443.978 6.386 30 10 IKEE CC(C)Oc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(Cl)c(Cl)c1)C2 21233831 SCHZBCFZIPSMNW-DOTOQJQBSA-N 444.358 5.785 30 10 IKEE O=[N+]([O-])c1cccc(-c2csc(/N=C(\O)CN[C@@H](c3ccccc3)c3ccccn3)n2)c1 29119663 DZQMAIWXHPYXNJ-QFIPXVFZSA-N 445.504 5.081 30 10 IKEE Cc1cccc(N/C(=N\C(=O)c2ccc(Cl)cc2)NCCc2c[nH]c3ccccc23)c1C 32943443 STYFAQZSPGBMEW-UHFFFAOYSA-N 444.966 5.879 30 10 IKEE COc1ccc(/C=C\C(=O)c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)cc1OC 33406177 GCYFXVGPAAVVBB-LCYFTJDESA-N 443.930 6.777 30 10 IKEE Cc1cc(SCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)ncn1 40171292 JIGHZBKIGMMSOH-UHFFFAOYSA-N 426.501 5.315 30 10 IKEE C=CCOc1ccc([C@H]2CC(=O)Nc3c(-c4ccc(OC)cc4)csc32)cc1OCC 46076270 LAZCWWLVENINBA-LJQANCHMSA-N 435.545 5.861 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc3nc(-c4ccccc4Cl)oc3c2)c1 62050165 AFPFWTGTPLVGFI-UHFFFAOYSA-N 445.950 7.238 30 10 IKEE C=C(C)COc1ccc(NC(=O)CNc2ccccc2OCCOc2ccccc2)cc1 66063929 WZJCNUOYKVHCBH-UHFFFAOYSA-N 432.520 5.150 30 10 IKEE Cc1ccc(N/C(=N\C(=O)c2ccc(F)c(Cl)c2)NCCc2c[nH]c3ccccc23)cc1 85581354 ZBDHRZXECHFPSJ-UHFFFAOYSA-N 448.929 5.709 30 10 IKEE C=C(C)COc1cccc(NC(=S)NC(=O)c2sc3cc(OC)ccc3c2Cl)c1 100464888 HCTYKHUFPYMHTA-UHFFFAOYSA-N 446.981 5.645 30 10 IKEE Cc1c(/N=N/c2ccc(/N=N\c3ccccc3)cc2)c(O)n(C2CCCC2)c(=O)c1C#N 101146216 HJARRSBLUYUQFW-KVZOUHTRSA-N 426.480 6.680 30 10 IKEE CCCCCCCCCC(=O)N1CCC[C@@H]1C(=O)Nc1nnc(-c2ccccc2)s1 102997942 PJGXVAWVRSRVFI-LJQANCHMSA-N 428.602 5.275 30 10 IKEE Cc1ccc(S(=O)(=O)/N=C(\c2ccccc2)N(Cc2ccccc2)c2ccccc2)cc1 105914854 OTXPCXNOMYFUMO-BYYHNAKLSA-N 440.568 5.837 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2cc(C)ccc2C)cc1 169924623 ICJMMMUFXSQUAF-RUZDIDTESA-N 441.527 5.712 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2ccccc2C)cc1 169926533 ZJPWBZWPMBYZAS-SANMLTNESA-N 449.506 5.940 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2ccccc2OC)cc1 169942470 GLYRSJXBDIFXSF-NRFANRHFSA-N 448.544 5.114 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2cccc(C)c2)cc1 169967688 UDRJOJZYUMCCRT-RUZDIDTESA-N 441.527 5.910 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccccc2)cc1 170028802 YDHCNZMOYUCRSP-DEOSSOPVSA-N 427.500 5.485 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@H]2c2ccccc2)cc1 170048306 BCTZTTRRLXHGGN-DEOSSOPVSA-N 427.500 5.036 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)cc2)cc1 170059107 KTQAESHHJSWWRX-QFIPXVFZSA-N 432.907 5.076 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2cccc(O)c2)c1 170079827 KQAGRAWTDIGDAK-JOCHJYFZSA-N 435.426 5.070 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccc(C)o2)cc1 170101573 WURFLOIIPDYLOI-XMMPIXPASA-N 431.488 5.089 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2cccs2)c(C)c1 170160606 VUTFLGNLGVIFSR-QFIPXVFZSA-N 433.529 5.465 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccccn1)c1cccc2ccccc12 170173550 TXNKQLNWEHZXDB-HSZRJFAPSA-N 440.886 5.671 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(Cl)cc1 170235129 GRTAHKRPQVEASS-JOCHJYFZSA-N 447.918 5.748 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1ccccc1F 170248445 RKSSHBVHYTYPAH-HSZRJFAPSA-N 445.490 5.542 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2c[nH]c3ccccc23)cc1C 170254339 XSYRHUPTLOJNBT-DEOSSOPVSA-N 438.483 5.268 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1c[nH]c2ccccc12)c1cc2ccccc2o1 170256420 KUIJQFLFFMRDAN-QHCPKHFHSA-N 426.472 5.435 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2C)cc1C(C)C 170278337 ZCUGENJWMOQXJQ-VWLOTQADSA-N 447.575 5.956 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccco2)c1 170282231 NJAMFAWQUGXZHI-JOCHJYFZSA-N 435.451 5.236 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2ccco2)cc1C 170285096 WXDQIANZAXVREX-QHCPKHFHSA-N 429.472 5.004 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccco2)c1 170293141 YPKPIJWROLDIEJ-FQEVSTJZSA-N 429.900 5.243 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)(C)C)c2)[C@H]1c1ccc(C)o1 170309206 XEYLWELGFIIYSY-JOCHJYFZSA-N 439.552 5.663 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cccc(Cl)c2)cc1 170361728 XWMNUTVHBQCXIL-HXUWFJFHSA-N 439.920 5.583 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(OC(F)(F)F)cc2)[C@@H]1c1ccccc1)c1ccccc1 170371085 QCCSWXHKTBAMBN-HXUWFJFHSA-N 439.389 5.368 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2Cc2cc(C)ccc2C)cc1 170455094 AKIFUJUYHPJIAM-XMMPIXPASA-N 448.607 5.660 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(CC(=O)O)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 170469126 RNGUORXAYZSHIL-XMMPIXPASA-N 449.547 5.126 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2nc3c(F)cc(F)cc3s2)[C@@H]1c1cccs1 170477206 QPPYDYANVWZMKE-OAHLLOKOSA-N 434.489 5.151 30 10 IKEE CCCCCCCCCCCn1c([C@@H](C)NC(=O)/C=C/c2ccccc2)nc2ccccc21 205700089 LPLKXXNDHDZZDD-MQAYTSPESA-N 445.651 7.458 30 10 IKEE COc1cc(-c2nc3ccccn3c2N=Cc2ccc(-c3cccc(Cl)c3)o2)ccc1O 254402108 IGOWXUOUCGYSAW-UHFFFAOYSA-N 443.890 6.380 30 10 IKEE COc1ccc(-n2c(-c3ccc(F)cc3)cc(C(C)=NOCc3ccc(C)cc3)c2C)cc1 254486859 ITRYKBPKKZGFRK-UHFFFAOYSA-N 442.534 6.850 30 10 IKEE N#Cc1c(NC(=O)CSc2nc3ccccc3o2)sc2c1CC[C@@H](c1ccccc1)C2 261527067 YFPHPUYRLVSZIV-MRXNPFEDSA-N 445.569 5.764 30 10 IKEE Cc1nc(Nc2cc(Br)ccc2I)c(Cl)cc1C#N 312009023 VZPSTOIJRXZABY-UHFFFAOYSA-N 448.489 5.026 30 10 IKEE CCCCCCCCC[C@@H](N)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 406544140 ICDKDOULZLUMKZ-GOSISDBHSA-N 427.427 6.937 30 10 IKEE CCCOc1cccc([C@H]2C(c3cccc(OC)c3)=C(O)C(=O)N2c2ccccc2C#N)c1 526606982 RAJXWXCXVVKBKD-VWLOTQADSA-N 440.499 5.413 30 10 IKEE CCCCCCOc1ccc(/C=N\n2cnnc2SCc2cccc(C)c2)cc1OC 526807894 FTDLPWTXMVBBCM-QQXSKIMKSA-N 438.597 5.729 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1ccc(OCC)c(Cl)c1 526808935 ROELANUKEHRTKB-MYYYXRDXSA-N 443.016 6.156 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1ccc(OC)c(OCC)c1 526809869 WPFKUFHMTNVMAG-MYYYXRDXSA-N 438.597 5.429 30 10 IKEE CC(C)Oc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)[C@@H](C)c2ccccc2)cc1 586148992 CFFXYZQZKQXPBY-FQEVSTJZSA-N 434.561 5.298 30 10 IKEE N#Cc1ccc(Br)cc1Nc1cc(Br)cc(Br)c1 690320717 HQXTYVAALRGYDH-UHFFFAOYSA-N 430.925 5.589 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@]1(C#N)CCc2cc(Br)ccc21 698889042 FEHTWHAFLNOSJT-NRFANRHFSA-N 431.305 5.695 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1csc2ccccc12 710737636 MYIZDLFXRDJBDA-GOSISDBHSA-N 443.366 6.670 30 10 IKEE Cc1ccc(N=C2S/C(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)C(=O)N2C)cc1 1084265584 XYLRHVASCIVPNR-OTGOLFGCSA-N 445.544 5.335 30 10 IKEE CC(C)=NN(CC(F)(F)F)C(=S)Nc1c(Cl)cc(C(F)(F)F)cc1Cl 1614340480 IPBAYGSMWNKJAZ-UHFFFAOYSA-N 426.213 5.969 30 10 IKEE C/C(C=NN=C1S/C(=C\c2ccccc2C)C(=O)N1Cc1ccco1)=C\c1ccccc1 1772759770 YBZVHAPSXKDDKT-XINMQERNSA-N 441.556 6.150 30 10 IKEE Cc1ccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)nn2Cc2ccccc2Cl)cc1C 1859396369 NANQNBSKYIBWLN-UHFFFAOYSA-N 440.934 5.993 30 10 IKEE C=CCOC(=O)c1sc(NC(=O)c2cc(C(C)(C)C)nc3ccc(F)cc23)nc1C 1859644044 APGSLRFZBZSELD-UHFFFAOYSA-N 427.501 5.031 30 10 IKEE CCCCCCCCCCNc1cc(N2CCN(C)CC2)nc(-c2ccc(OC)cc2)n1 1859792518 GEYXBEZMBIEAKH-UHFFFAOYSA-N 439.648 5.457 30 10 IKEE CCCCCCOc1ccc(NC(=O)C(=O)/C=C/c2ccc(OCC)c(OC)c2)cc1 1860729363 FLSLMELJVDUKBQ-OQLLNIDSSA-N 425.525 5.274 30 10 IKEE Cc1ccc2nc(-c3ccc(NC(=O)C(=O)/C=C/c4cc(F)ccc4F)cc3)sc2c1 1860731396 NREIPVNDDUUIMH-VZUCSPMQSA-N 434.467 5.771 30 10 IKEE N#Cc1c(NC(=O)CSc2nc(-c3ccc4ccccc4c3)cs2)sc2c1CCC2 1860800206 PEYKDQQXTDQHCA-UHFFFAOYSA-N 447.610 6.116 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(OC)c(OC)c1 1861068698 NPHVUCARCNESQK-NRFANRHFSA-N 434.621 5.105 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(C(C)C)cc1 1862381103 RQOJYPNSZWZYNL-HXUWFJFHSA-N 430.331 5.881 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc(Cl)cc2)cc1 1862392324 UVKZLBCRJOXAOF-HSZRJFAPSA-N 439.983 6.307 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862393310 SEIVGEPCYMAPCM-JOCHJYFZSA-N 436.508 5.316 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccc(F)cc1F)c1ccccc1Cl 1862432311 BONULUPAGXAPOQ-OAQYLSRUSA-N 445.893 5.919 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(N(CC)CC)cc1 1862451498 HKNZSDPVIMNWLD-OPAMFIHVSA-N 440.971 5.563 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2C2CCCC2)cc1 1862460131 SHRHBEXSPMGGFC-NRFANRHFSA-N 445.437 5.024 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862489254 SWLUHCRDRSNNKZ-RUZDIDTESA-N 443.518 5.783 30 10 IKEE COC(=O)c1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCCC2)cc1 1862494291 JYCBNAYZTQXRPC-QHCPKHFHSA-N 447.531 5.001 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccc(CC)cc2)cc1 1862530304 POYLYGHPXKVVAN-RUZDIDTESA-N 443.518 5.729 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccccc1Br 1862540859 XXEJBBAHQIPSCA-HXUWFJFHSA-N 442.353 5.390 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(O)cc2)cc1 1862674965 YSRKJTKJEDYJLM-GYCJOSAFSA-N 445.490 5.433 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1 1862675518 MYLVHQXHIHZDIG-PGRDOPGGSA-N 441.499 5.174 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cc(Cl)cc(Cl)c1 1862689879 BOFRJBBJQKZHLG-LJQANCHMSA-N 434.319 5.380 30 10 IKEE CCc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(Cl)cc3)C2=O)cc1 1862792893 WDVHBLWEVMYGPT-UHFFFAOYSA-N 427.891 5.171 30 10 IKEE CCCCCCCCN1C(=O)C(NCCc2cccs2)=C(c2ccc(F)cc2)C1=O 1863508024 QWHXFHAGZUAZBA-UHFFFAOYSA-N 428.573 5.160 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC[C@H]2CCCO2)=C(c2ccc(Cl)cc2)C1=O 1863533755 QSVUTAZAWWZQAK-OAQYLSRUSA-N 447.019 5.329 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2OC)C(=O)N(Cc2ccccc2)C1=O 1863759770 AMBXLWGXIRBHCH-UHFFFAOYSA-N 448.607 5.706 30 10 IKEE CCCCCCOc1ccc(C(=O)Nc2c(C#N)nnn2-c2ccc(C)c(Cl)c2)cc1 1870144286 WHSKLMBEZMWAKN-UHFFFAOYSA-N 437.931 5.312 30 10 IKEE CCCCCCCCn1cc(OCC(=O)Nc2ccccc2C)c(=O)cc1CSCC 1870198105 RDRUDOPRGOWBRW-UHFFFAOYSA-N 444.641 5.788 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2)c(CNc2ccc(C(C)C)cc2)cc1=O 1870833465 KGUDNAHEXIKXRY-UHFFFAOYSA-N 446.635 6.981 30 10 IKEE CCCCCCCOc1cn(CCC2=CCCCC2)c(CNc2ccc(F)cc2)cc1=O 1870838842 WWOVBSUMFDLCEI-UHFFFAOYSA-N 440.603 6.839 30 10 IKEE CCCCOCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccccc1 1871250926 DDHKAVIOXOKUOK-UHFFFAOYSA-N 445.563 5.118 30 10 IKEE Cc1ccc(CCN2COc3ccc4c(c3C2)O/C(=C\c2ccc(N(C)C)cc2)C4=O)cc1 1871348023 LHWPKBFKOLJUDM-QQXSKIMKSA-N 440.543 5.072 30 10 IKEE COc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(C3CCCCCC3)C4)C2=O)cc1OC 1871353104 FEZBLCCYQPXQEZ-CFRMEGHHSA-N 449.547 5.503 30 10 IKEE CCCOc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(F)c2)C3=O)c1 1871387537 ANDLBVYJNFWOQE-QRVIBDJDSA-N 432.447 5.758 30 10 IKEE Cc1cc(O)c(CN2C[C@H](C)O[C@H](C)C2)c2c1C(=O)/C(=C/c1ccc(Cl)cc1Cl)O2 1871395563 WNARYTFGPLYYBP-ZMQFELIWSA-N 448.346 5.233 30 10 IKEE Cc1cc(O)c(CN2CCOc3ccccc32)c2c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O2 1871396095 NFGSNTFMRDWVKC-MYYYXRDXSA-N 441.527 5.839 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1cccs1)C2=O 1871402561 WQPOXHFPAJSYRC-CPEHUTGBSA-N 447.556 5.950 30 10 IKEE CCOc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccco2)C3=O)cc1 1871405366 DLOCAKBVIOUFLQ-VOMLJKFNSA-N 433.460 5.009 30 10 IKEE CC(=O)Nc1ccc(C(=O)COc2cc(C)c3c(c2)O/C(=C\c2sccc2C)C3=O)cc1 1871433128 XHFLREVALPQYDV-UUYOSTAYSA-N 447.512 5.201 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCc4ccccc4C#N)cc(C)c3C2=O)c(OC)c1 1871436885 ALMWZIXGIPJNQL-MYKKPKGFSA-N 427.456 5.079 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(-c2ccccc2C)cc1)[C@@H](C)CC)S(=O)(=O)CCC 1872217781 VOFNRYIZJLIILT-YADARESESA-N 442.625 5.243 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cc(C)ccc1C)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872571291 GLYCOQKPVSRAQH-YKSBVNFPSA-N 442.625 5.232 30 10 IKEE N#C[C@@H](C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1nc(-c2ccc3ccccc3c2)cs1 1872760649 UOOIXUXFGMAUTL-KRWDZBQOSA-N 433.876 6.015 30 10 IKEE Cc1c([N+](=O)[O-])cc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3Cl)cs2)cc1[N+](=O)[O-] 1872764617 SDZZWGPEPGGHPN-CYBMUJFWSA-N 442.840 5.078 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3c(C)cccc3C)n2)cc1C 1872765801 XMLMBPVASJDFAW-HXUWFJFHSA-N 434.561 5.779 30 10 IKEE CC(C)c1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 1872775798 AJQKKLUXKSGFRE-QGZVFWFLSA-N 425.897 5.985 30 10 IKEE COc1ccccc1CC(=O)[C@H](C#N)c1nc(-c2cc(C(C)C)c(OC)cc2C)cs1 1872779679 OZNZWEFUFOYUNG-FQEVSTJZSA-N 434.561 5.678 30 10 IKEE COc1c(Cl)cc(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)cc3)n2)cc1Cl 1872785650 RZHRLJSPJLFKHW-CYBMUJFWSA-N 437.735 6.269 30 10 IKEE COc1cc(OC)cc(C(=O)[C@H](C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)c1 1872786057 COFQSMQXDCKNPH-SFHVURJKSA-N 442.924 5.288 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cc(C)ccc2C)=C(c2cccnc2)C1=O 1873265680 WGMNAKDRYDBFPM-UHFFFAOYSA-N 433.596 6.031 30 10 IKEE O=c1c(Cl)c(N/N=C/c2ccc(Cl)c(Cl)c2)cnn1-c1ccccc1Cl 1873529788 ZBSSVOKAPRJDGT-GZIVZEMBSA-N 428.106 5.292 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C(C)C)cc2)cc2c(N3C[C@@H](C)C[C@H](C)C3)ncnc21 1873666954 YSOMOZLLKBMCHJ-OALUTQOASA-N 431.584 5.475 30 10 IKEE CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874215546 RWGMYLYMHMEWHF-DHRITJCHSA-N 443.016 6.029 30 10 IKEE Cc1ccccc1CSc1nnc(COc2ccccc2Cl)n1/N=C/c1cccnc1 1874266310 QLWKRJHCWLZOLN-VULFUBBASA-N 449.967 5.388 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccccc1Cl 1874283221 WAOMPWXTPCFNHS-ZMOGYAJESA-N 431.392 5.921 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2ccccc2C)cc1 1874349058 RTEYGVZTZSSTAH-WPWMEQJKSA-N 442.588 5.669 30 10 IKEE CCCSc1nnc(Cc2ccc(OC)cc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874352035 OGZGRGUIOLXYMK-YDZHTSKRSA-N 435.380 5.569 30 10 IKEE Cc1ccccc1CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1ccc(O)cc1O 1874392175 GGHOTVQBUQSPID-CMPFEXHJSA-N 444.560 5.324 30 10 IKEE C=C(C)CSc1nnc(CC2CCCCC2)n1/N=C/c1cccc(OC)c1OCC 1874407931 WLSWXICTSGSPFU-BUVRLJJBSA-N 428.602 5.359 30 10 IKEE COc1cccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2cccc(C)c2)c1 1874415830 KATDYMAHDVDPQU-YZSQISJMSA-N 428.561 5.360 30 10 IKEE Fc1cccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2ccc(F)cc2F)c1 1874418018 ZEIYUWJXFNXBKK-MZJWZYIUSA-N 438.478 5.461 30 10 IKEE O=C(O)c1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2-c2cccs2)cc1 1874421499 ONJGKXXOXSGUED-FSJBWODESA-N 438.509 5.018 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1cccc(O)c1 1874441307 RDKMBNDIFUSCDT-WYMPLXKRSA-N 449.407 6.054 30 10 IKEE Clc1ccc(CSc2nncn2/N=C/c2c(Cl)cccc2Cl)cc1Cl 1874539852 AQKBIDSWPGZSMN-QPJQQBGISA-N 432.163 6.066 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2cc(C)ccc2C)cc1 1874572406 LMUSFXJOYUUCBX-FOCLMDBBSA-N 443.543 5.788 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2cccc(Cl)c2)c1OCc1ccc(Cl)cc1 1874577279 GMPUOBFZUIYLBG-JXMROGBWSA-N 447.745 7.131 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)c1OCc1cccc(C)c1 1874590424 KVZRJJXZIBUXMP-JQIJEIRASA-N 428.572 7.085 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OCc1ccc(Cl)c(Cl)c1 1874595782 DCIKTHHRZCGICQ-RUDMXATFSA-N 445.317 6.925 30 10 IKEE CCc1ccccc1NC(=O)COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC 1874596089 MWXRWAARPYVRQE-UKTHLTGXSA-N 447.506 5.619 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3cccc(Cl)c3)c(OC)c2)cc1 1874608537 SYLFYKVJCGSBEJ-KPKJPENVSA-N 438.907 5.841 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OCc1nc(O)c2ccccc2n1 1874617452 BWSSMBBNFSHNGQ-FMIVXFBMSA-N 440.499 5.436 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(OC)c1OCc1ccc(C)cc1 1874627691 RJUMGGYCHUNFAR-JLHYYAGUSA-N 434.482 6.485 30 10 IKEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc1Cl 1874636767 RKJYSCDHZHSCTA-CSKARUKUSA-N 429.944 5.109 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1OC(=O)c1cccc(F)c1 1874693570 LMYMVTROIQVMIL-UKTHLTGXSA-N 430.475 5.828 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OC(=O)c1ccc([N+](=O)[O-])cc1 1874699047 BBYJAJBRZZRDDM-VZUCSPMQSA-N 437.835 5.372 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCOc3ccccc3)c2)cc1Cl 1874716888 NUVBRZDNMLXGCZ-ZRDIBKRKSA-N 436.891 5.619 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OC(=O)C(C)(C)C 1875097802 CZLFPBHEVQTTAA-NTCAYCPXSA-N 432.560 6.150 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1cccnc1 1875097851 GFMHQOKNYDUMOM-UKTHLTGXSA-N 427.500 5.474 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1C 1875107338 LBEKCDPQKOENKY-KPKJPENVSA-N 432.472 5.136 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)cc([N+](=O)[O-])c1OC(=O)C(F)(F)F 1875112159 UMQHRUAYCNKNLD-BQYQJAHWSA-N 443.761 5.011 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1)c1cccc(Cl)c1 1875123550 RQZRVMGXNGQGQI-FMIVXFBMSA-N 441.708 6.218 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@H](Cc2ccccc2)c2ccccc2)cc1)c1ccccc1 1875127375 AZGGVWANDOYOEK-BFKDBJQSSA-N 432.519 6.515 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2Cl)c1 1875127987 ILQJLBXUECYJTR-WYMLVPIESA-N 434.919 6.309 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3ccccc3)c([N+](=O)[O-])c2)cc1 1875135852 KOFGKVIWJGOMGH-RVDMUPIBSA-N 445.471 5.564 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)ccc1F 1875140881 CIBLJBDUAWTKJI-NYYWCZLTSA-N 429.274 6.556 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1OCC 1875146210 JFPVBXZAHGACCX-SOFGYWHQSA-N 430.884 5.112 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)Cc1ccc(C)cc1 1875166983 XRNYVGLLSOZBRZ-JLHYYAGUSA-N 444.527 5.673 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3cccs3)c(Cl)c2)cc1C 1875186906 NDAKFCLVQBLZHX-SOFGYWHQSA-N 440.948 6.071 30 10 IKEE C[C@@H]1CC=C(C(=O)[C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CC1 1875650665 JAVWCPWAKASOGQ-ONOMSOESSA-N 442.555 6.194 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[C@@H](C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1890295716 VYODSAJKXXKRIE-NJDAHSKKSA-N 443.588 5.399 30 10 IKEE N#Cc1ccnc(OCC2CCN(C(=O)[C@@H](Sc3ccccc3)c3ccccc3)CC2)c1 1891478565 XMPKXDGTXYXCHA-VWLOTQADSA-N 443.572 5.104 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C#N)c1ccc(Cl)cc1I 1904060310 RNCOCKGLQANKQJ-XHDPSFHLSA-N 448.732 5.545 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1cc(C(F)(F)F)ccc1Br 1922070003 VRUHBVIAPGUXRT-HXUWFJFHSA-N 442.319 6.282 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NC)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 1922107263 KNKSPSVFBSTTQR-JOCHJYFZSA-N 428.598 5.075 30 10 IKEE CCCCCCCCC[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1951514934 UJCLDNUXXRNLOC-FQEVSTJZSA-N 437.580 6.367 30 10 IKEE C#CC[C@H](C)CN(C)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC 1991290105 YGVOEVZIWMXQRL-DYLHXGEVSA-N 446.591 5.058 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c1ccccc1)C2 1997330441 LLCUKJAUOBKQHD-HROJSSOGSA-N 427.545 5.252 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 2016054889 MLPLAVFKZDSBDP-PKTZIBPZSA-N 428.617 5.307 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@@H](C#N)[C@]1(C)CCCN1C(=O)OC(C)(C)C 2020805192 YGQGYHUBINSKPD-MBSDFSHPSA-N 433.524 5.249 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)c2c(Br)ccc(Cl)c2F)C1 2062975292 PMQDTXZZFGFNPX-UHFFFAOYSA-N 432.717 5.285 30 10 IKEE C#CC[C@H](C)C[C@H](N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2076074056 SJBPZYRYYRFTNC-QLADTWODSA-N 429.560 5.255 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@]2(C)CCCN2C(=O)OC(C)(C)C)c1 2076989182 SDTPISOJQYWJIR-CYFREDJKSA-N 445.560 5.118 30 10 IKEE CCCOc1ccc([C@@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C2(C)CC2)cc1 2080071687 KXLJIFAWIXYDIT-LJQANCHMSA-N 446.389 5.684 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H](c2cc(Cl)n3nc(C4CCCC4)c(C#N)c3n2)C1 2081403719 PNCXNHHKCKWOMV-OAHLLOKOSA-N 429.952 5.026 30 10 IKEE COc1c2c(nc3c(-c4c(F)cccc4C(F)(F)F)c(C(F)(F)F)nn13)CCCC2 2081542437 XTROPMZQWZNBKB-UHFFFAOYSA-N 433.327 5.460 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)Nc2cc(F)c(Br)c(Cl)c2)C1 2126628578 WQQNDZBGSRTJLB-UHFFFAOYSA-N 447.732 5.041 30 10 IKEE CCCCC#CC[C@H](NCC)c1cc(Br)ccc1I 2138990428 MEPBSBZOPOLOQB-INIZCTEOSA-N 434.159 5.288 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)C1(C(F)(F)F)CCCC1 2177879047 GWVILXMVKRCRPI-OAHLLOKOSA-N 447.295 6.205 30 10 IKEE CC(C)(C)OC(=O)NCC1(F)CCC(CNc2ccc(C#N)cc2Br)CC1 2178646643 UHMJQSGSRYYEJZ-UHFFFAOYSA-N 440.357 5.156 30 10 IKEE CCCCCCCCCC[S@@](=O)C(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O 2195275760 BGCJDJAGLPHJMA-PRAQEBQASA-N 439.618 5.034 30 10 IKEE C[C@H](c1ccc(NC(=O)OC(C)(C)C)cc1)[C@H](O)C#Cc1ccccc1Br 2235742408 XNGZGBUOZXWAED-FOIQADDNSA-N 430.342 5.312 30 10 IKEE Cc1cc(Cl)cc([C@H](N)C#Cc2ccccc2Br)c1NC(=O)OC(C)(C)C 2240851076 JIEOEMNGHDUPQB-GOSISDBHSA-N 449.776 5.809 30 10 IKEE CCCN[C@@H](C#CC1CCCCC1)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2260979709 GIBZEKXHOXNIIG-LOSJGSFVSA-N 442.644 5.439 30 10 IKEE CC(C)N(Cc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(C(F)(F)F)c1 2267016133 ZBNSEASRWIUMMH-UHFFFAOYSA-N 447.306 5.055 30 10 IKEE Cc1ccc(C(=O)N(Cc2ccccc2)CC2CCCC2)c(B2OC(C)(C)C(C)(C)O2)c1 2267599266 MSNKQSBJRLGNQM-UHFFFAOYSA-N 433.401 5.127 30 10 IKEE Cc1ccc(C(=O)Nc2ccccc2OCc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2282131100 GARQBUHWSCTKJB-UHFFFAOYSA-N 443.352 5.126 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)[C@@H]2Nc1ccc(C#N)c(Br)c1 2285853844 LCQDQXKVPACNRH-MKJFMTOSSA-N 434.378 5.205 30 10 IKEE CN1C(=C2SC(=Nc3ccc(F)cc3)N(C3CCCCC3)C2=O)Sc2ccccc21 2295178712 RBDMRKYPGQLHFZ-UHFFFAOYSA-N 439.581 6.133 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H](CC(C)(C)C)NC(=O)OC(C)(C)C 2296216764 NKARRVXCDCECEX-RTBURBONSA-N 437.422 5.108 30 10 IKEE CCc1ccccc1N=C1SC(=Cc2sccc2C)C(=O)N1c1ccccc1CC 2296977112 IISNDDMLSLRENI-UHFFFAOYSA-N 432.614 6.990 30 10 IKEE COc1ccc(C=C2C[C@H]3[C@@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@@]3(C)C2=O)cc1 2297404289 RZZSYQOCHYTRMK-NEORWOPRSA-N 448.603 6.152 30 10 IKEE CCCCN1C(=O)C(=C2Sc3ccc(OC)cc3N2C)SC1=Nc1cccc(C)c1 2297707738 GPKMHDDTLNBDOW-UHFFFAOYSA-N 439.606 5.778 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)CSc2n[nH]c(NN=CC=Cc3ccccc3)n2)cc1 2313601768 OFVPVLZWFHBXQU-QGZVFWFLSA-N 434.569 5.160 30 10 IKEE Cc1ccc(N=C2NC(=O)C(=Cc3ccc(-c4ccccc4C(F)(F)F)o3)S2)c(C)c1 2313670533 CYAMQCQYPRGCIT-UHFFFAOYSA-N 442.462 6.474 30 10 IKEE COc1ccc(C=C2Oc3cc(OCc4ccc(Cl)cc4Cl)ccc3C2=O)cc1 2314438266 MXJYNYQTUBYLGS-UHFFFAOYSA-N 427.283 6.197 30 10 IKEE COc1cccc(C=C2SC(=Nc3cccc(C(=O)O)c3)N(c3ccccc3)C2=O)c1 2314547444 IGTYYSXOOOHZKE-UHFFFAOYSA-N 430.485 5.202 30 10 IKEE C=C(C)CSc1nnc(C)n1N=Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 2321150254 JSRKEZGPTVVTQW-UHFFFAOYSA-N 442.972 5.378 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2321289327 VYKSGJVAPBDTGP-MOPGFXCFSA-N 445.535 5.249 30 10 IKEE Sc1nnc(Cc2cccs2)n1N=Cc1cccc(OCc2cccc(Cl)c2)c1 2321884317 GBHGFFZBLOFJOI-UHFFFAOYSA-N 440.981 5.334 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(Cl)cc1)O3)CN(CCCOC(C)C)CO2 2322023923 CNCDXDUXRSAYDU-UHFFFAOYSA-N 427.928 5.232 30 10 IKEE CCCCOc1ccc(C=Nn2c(S)nnc2COc2ccc(Cl)c(C)c2)cc1 2322211057 RDYKIKWSDPXGMR-UHFFFAOYSA-N 430.961 5.169 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(N(C)C)cc1)C3=O)CN(CCC1=CCCCC1)CO2 2322377419 HKTKQEBAVFFMBT-UHFFFAOYSA-N 444.575 5.720 30 10 IKEE Cc1cc(OC(=O)c2ccccc2)cc2c1C(=O)C(=Cc1ccc(Br)cc1)O2 2322659949 JXRBOSOHZHUTFP-UHFFFAOYSA-N 435.273 5.593 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccccc1OCC(=O)Nc1ccc(F)cc1 2322952833 JSQKPOZSNPXSLK-UHFFFAOYSA-N 445.534 6.345 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)C=Cc4ccc(F)cc4)cc(C)c3C2=O)cc1 2323046765 VGVQLTRSRLOGLO-UHFFFAOYSA-N 428.459 5.932 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc(C)c3C2=O)cc1 2323330454 SSENYRIESVDCNX-UHFFFAOYSA-N 445.427 5.056 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc4c(c3)CCCC4)cc2)o1 2323419681 MBDQNYRRDLGCNH-UHFFFAOYSA-N 430.500 5.810 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)ccc1OCC(=O)Nc1ccccc1 2323717093 UKHUUSZGTYWTLM-UHFFFAOYSA-N 431.488 5.008 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OCc1cccc2ccccc12 2323767887 HVXWQHFDRUQBOZ-UHFFFAOYSA-N 442.942 7.367 30 10 IKEE Cc1ccc(COc2ccccc2C=NNc2nc(-c3ccc(C)c(C)c3)cs2)cc1 2323865942 WDOBENRNXDPJEK-UHFFFAOYSA-N 427.573 6.760 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OCC(=O)Nc2cccc(C)c2C)cc1 2323990996 JOPWHXRVTMINIA-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)cc2)cc1C 2324332171 HHEMCXHFZFLQMQ-UHFFFAOYSA-N 441.571 6.451 30 10 IKEE N#C[C@@H](C(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc3c(c2)CCCC3)cs1 2324357053 OBFATWKPCIFQSY-NRFANRHFSA-N 429.501 5.487 30 10 IKEE COc1cccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4cc(C)ccc4C)ccc3C2=O)c1 2324455611 VPRUROMIUKXJTP-GOSISDBHSA-N 443.499 5.334 30 10 IKEE COc1ccc(OCCCOc2cc(C)c3c(c2)OC(=Cc2cccc(OC)c2)C3=O)cc1 2324705761 KYMBEAYZOACZOR-UHFFFAOYSA-N 446.499 5.476 30 10 IKEE CCc1ccc(NC(=O)[C@@H](CC)Oc2ccc3c(c2C)OC(=Cc2ccco2)C3=O)cc1 2324816899 SYNTUXOVAZOHBM-OAQYLSRUSA-N 431.488 5.563 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(CC)cc4)ccc3C2=O)cc1 2325722293 WXCFRTXQAVHXHF-UHFFFAOYSA-N 443.499 5.281 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OC(=O)c1ccc(Cl)c(Cl)c1 2325737561 JQPLAPAWDJBZIG-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1ccncc1 2325909399 RKQJVQHSFSXVGK-UHFFFAOYSA-N 434.352 5.109 30 10 IKEE N#Cc1ccc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccc(F)cc2)cc1 2326684225 ITGYYHQKFQZMBM-UHFFFAOYSA-N 441.535 5.249 30 10 IKEE Fc1cccc(CSc2nnc(COc3ccccc3Cl)n2N=Cc2ccc[nH]2)c1 2327625885 UGYBDIGKPIHMEU-UHFFFAOYSA-N 441.919 5.152 30 10 IKEE CCCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1c(F)cccc1Cl 2328078796 QKGVDQPJDVFKNL-UHFFFAOYSA-N 437.371 5.894 30 10 IKEE Cc1ccccc1CCc1nnc(SCCc2ccccc2)n1N=Cc1cccs1 2329489184 BHDJCRGLSOFKOH-UHFFFAOYSA-N 432.618 5.650 30 10 IKEE Fc1cccc(CSc2nnc(-c3ccccc3Cl)n2N=Cc2cccs2)c1 2329553915 FYODKWKXLNPQJM-UHFFFAOYSA-N 428.945 5.974 30 10 IKEE C=C(C)CSc1nnc(CCc2cccs2)n1N=Cc1ccc(OCCCC)cc1 2329662252 OAALJHDQBULGEO-UHFFFAOYSA-N 440.638 5.854 30 10 IKEE COc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1ccncc1 2330615379 NBFANFXOGSQWEZ-UHFFFAOYSA-N 435.479 5.873 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(N(C)C)cc3)cc2)cc1 2330825713 SOWPSVCNBFNRJU-UHFFFAOYSA-N 427.544 6.211 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cc(Cl)ccc2Cl)cc1)c1ccc([N+](=O)[O-])cc1 2331018118 WQRUKMFTCYMLHO-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE Fc1ccccc1C=Nn1c(SCc2cccc3ccccc23)nnc1C1CCCC1 2331085550 ZQNGVYHAFXKSJB-UHFFFAOYSA-N 430.552 6.403 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Br)c1OC(=O)C(C)C 2331229960 OZILGRNUSMQLLM-UHFFFAOYSA-N 431.326 5.532 30 10 IKEE COc1cc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3)cc2)c([N+](=O)[O-])cc1OC 2331259111 MKYOGSULCFOPNN-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)COc3c(C)cccc3C)c(Cl)c2)c1 2331319952 FJLITYWBNQLTRV-UHFFFAOYSA-N 448.946 6.454 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)C2CCC2)c([N+](=O)[O-])c1 2331549110 CVJXVAZEVWWXLB-UHFFFAOYSA-N 437.492 5.503 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)C(C)(C)C)c([N+](=O)[O-])c2)cc1C(C)C 2331577765 NBUZYDPYYQASGB-UHFFFAOYSA-N 439.508 5.883 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc([N+](=O)[O-])c1OC(C)=O 2331577963 SAXOAZKDOSTVPE-UHFFFAOYSA-N 441.480 5.255 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)[C@@H](C)c1ccccc1 2331705545 BIHJFWGUYIETPY-FQEVSTJZSA-N 444.527 5.926 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)CC(C)C)c(OC)c2)c(OC)c1 2331716186 ANCMNIDZRLCRHJ-UHFFFAOYSA-N 432.900 5.213 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3F)c(Cl)c2)c(OC)c1 2331721843 YRFMAOXCGORIAO-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1c[nH]nc1C(C)(F)F 2360822931 UTDFBKMRDWHHHF-CQSZACIVSA-N 441.276 5.290 30 10 IKEE CCCN[C@H](C#Cc1cccs1)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2363551407 PEGUZBWXPKNCML-LJQANCHMSA-N 449.414 5.950 30 10 IKEE Cc1cc(CNc2ccc(Br)c(Cl)c2)ccc1B1OC(C)(C)C(C)(C)O1 2369694487 QEIFAKLWMISDHX-UHFFFAOYSA-N 436.586 5.322 30 10 IKEE C[C@@H](c1cccs1)N(Cc1ccccc1)Cc1ccc(C#CCN)c(Br)c1 2377304153 TWPHROKDVFDIGC-SFHVURJKSA-N 439.422 5.584 30 10 IKEE COc1ccc(CN2C(=O)/C(=C/c3ccccc3[N+](=O)[O-])S/C2=N\c2ccccc2)cc1 13546581 QSHQBXVYRIWIJZ-YWROOUKNSA-N 445.500 5.408 30 10 IKEE COc1ccc(/C=N/Nc2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)s2)cc1OC 14922462 RJJMZFOHEQRUCY-YSURURNPSA-N 441.862 5.946 30 10 IKEE Cc1cc(C)cc(C/N=C2/NC(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)c1 16268992 OUSXNDNANFPUJF-CIAFOILYSA-N 433.489 5.232 30 10 IKEE CCOc1ccc(/C=C2/CC/C(=C\c3ccc(OCC)c(OCC)c3)C2=O)cc1OCC 20115301 SBYXGUHVARNWRU-KBNZVFGVSA-N 436.548 6.111 30 10 IKEE COc1ccc([C@@H]2c3sc4c(c3CCN2Cc2ccccc2C#N)CCCC4)cc1OC 21045889 ZHMYFFHNMLYBPX-AREMUKBSSA-N 444.600 5.663 30 10 IKEE Cc1ccc[n+](/C(C(=O)c2ccc(OC(F)F)cc2)=C(/S)Nc2c(C)cccc2C)c1 28780442 WVVCWJMGWPWXET-UHFFFAOYSA-O 441.523 5.552 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3ccccc3)o2)S/C1=N/c1nc2ccccc2s1 35516967 WBGXWLGSMCDBHF-OIHHALDZSA-N 443.553 6.346 30 10 IKEE CN(Cc1ccccc1)c1oc(-c2ccc(OCc3ccc(Cl)cc3)cc2)nc1C#N 39841563 NMELWBKAOYFWGW-UHFFFAOYSA-N 429.907 6.082 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(Cl)cc1 40077060 NCSDCAFSUBXFAA-GOSISDBHSA-N 448.744 5.481 30 10 IKEE CC(/C=C/c1ccccc1)=N/Nc1nc(SCc2cccc(Br)c2)n[nH]1 59022994 KNDJXDIWHGMRCW-LAUHTZEZSA-N 428.359 5.361 30 10 IKEE CCCCCCCCCCCCCCCCNC(=S)NC(=O)Cc1ccc(OC)cc1 100071134 LQCZXLCELFDDGV-UHFFFAOYSA-N 448.717 6.710 30 10 IKEE CCCCCCCCCCNC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc12 109373236 XHECOSAMGALGSN-UHFFFAOYSA-N 448.607 6.790 30 10 IKEE COc1cc(/C=N\n2cnnc2SCc2ccccc2)ccc1OCc1ccccc1 138214411 AMYDZBSZRWXZTH-YSMPRRRNSA-N 430.533 5.040 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\NC(=S)NCc2ccccc2)cc1OC 169941074 KSBABTCQQJJMLY-OOAXWGSJSA-N 441.641 5.823 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2sc(C)nc2C)=C(O)C(=O)N1c1cccc(C)c1C 169944434 UFMSOXBAJWWMLX-OAQYLSRUSA-N 448.544 5.168 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]2c2ccncc2)cc1 170021710 YHSLQZLJTJXGLV-JOCHJYFZSA-N 448.906 5.225 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1c[nH]c2ccccc12 170074191 VXQQBOIZCQVAIY-RUZDIDTESA-N 440.474 5.409 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2sccc2C)ccc1F 170106622 VNQUZHCTMWXIBD-IBGZPJMESA-N 441.911 5.940 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2OC)cc1C 170122627 ANDGVWHSGOAKDX-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2OC)cc1C 170123944 FNJRUZIRXWGTNE-DEOSSOPVSA-N 449.547 5.232 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2cccs2)cc1C 170158937 BJVPTXRSUNDYEV-HSZRJFAPSA-N 447.556 5.855 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccs2)c(C)c1 170160724 KCOSHAGMEOENQM-JOCHJYFZSA-N 429.497 5.894 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2cccs2)cc1 170161071 KJKAWQVRMGYUNB-QHCPKHFHSA-N 440.524 5.281 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccc2)c1 170223970 ISCOJPIKPXWNOC-DEOSSOPVSA-N 427.500 5.567 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccccc2F)c1 170248384 TTZUJSHFHAGPET-HSZRJFAPSA-N 426.447 5.398 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@H]1c1cccc(O)c1 170263366 IJNQICYTGJXPGF-HSZRJFAPSA-N 437.536 5.196 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccc(C)o2)cc1 170301491 JPYSDGINWXRGJF-DEOSSOPVSA-N 439.467 5.533 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(C)o2)ccc1Cl 170302713 XANVPKXFBBWWHK-NRFANRHFSA-N 437.879 5.423 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(O)cc1)c1ccccc1 170341241 WPAJGXUECOBNOX-FQEVSTJZSA-N 439.389 5.194 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1F)c1ccncc1 170382150 CFWSULXAQOQZQF-LJQANCHMSA-N 442.368 5.022 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1cccc2ccccc12)c1ccccc1 170420741 PIGBCMSEWTXCTA-VWLOTQADSA-N 437.470 5.757 30 10 IKEE COc1ccc(-c2cc(C(=O)NCc3ccc(Cl)c(Cl)c3)c(C#N)c(C)n2)cc1 198863654 SNLRAOZIRTZBBM-UHFFFAOYSA-N 426.303 5.174 30 10 IKEE Cc1cc2c(cc1C)C(=O)/C(=C\c1cn(-c3ccccc3)nc1-c1ccc([N+](=O)[O-])cc1)O2 214010154 DRSWTXHVXIJWDC-ZVHZXABRSA-N 437.455 5.681 30 10 IKEE COc1cccc(C(C)=NNc2ccc(C(=O)c3c(C)cc4ccccn34)cc2[N+](=O)[O-])c1 254752636 LTHURSJWEAWVLK-UHFFFAOYSA-N 442.475 5.232 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Br)cs1)NCCC 406315769 OSJYKOGJZIJQAV-IRXDYDNUSA-N 431.440 5.281 30 10 IKEE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@H]1c1sccc1C 526492441 XSTQPWDFZJRINA-OAQYLSRUSA-N 446.528 5.393 30 10 IKEE CCCOc1ccc([C@@H]2C(c3cccc(OC)c3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526518074 WNRNFSXQCMAIAW-RUZDIDTESA-N 440.499 5.413 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccc(Cl)c2)cc1 526605087 UBXALRQTYMRETO-QHCPKHFHSA-N 430.891 5.668 30 10 IKEE CCCc1nnc(SCc2ccccc2)n1/N=C\c1cc(Cl)c(OCC)c(OC)c1 526800439 QRWSWQWJQSRXCM-OYKKKHCWSA-N 444.988 5.466 30 10 IKEE CCCOc1cc(/C=N\n2c(CC)nnc2SCc2cc(C)cc(C)c2)ccc1OC 526809355 CMSVVBNUJBTDKF-MYYYXRDXSA-N 438.597 5.429 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1cc(OC)ccc1OC 526818045 NRODZDBJCRTAFY-MSXFZWOLSA-N 448.951 5.215 30 10 IKEE CCCCc1nnc(SCc2ccc(Br)cc2)n1/N=C\c1ccc(F)cc1 526819439 ANLXSPFKGZJMSL-QRVIBDJDSA-N 447.377 5.697 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1ccccc1OCC 526824439 YNHBLSXAFDAQNJ-CFRMEGHHSA-N 449.407 6.111 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@](C)(C#N)Cc1ccc(Br)cc1 698850923 LZWYOSPVTGDWFH-NRFANRHFSA-N 449.776 6.369 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CC[C@H](CNC(=O)OC(C)(C)C)C1 724066652 CYUQNRXQEWZPKB-UUOWRZLLSA-N 429.561 5.324 30 10 IKEE Brc1ccc(C=Nc2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1 1084074344 JURCQCLMERDIMU-VTZPFEBOSA-N 429.361 7.026 30 10 IKEE C=CCN1C(=O)[C@@H](CC(=O)c2ccc(Cl)c(C)c2)SC1=Nc1ccc(Cl)cc1 1772760162 VRTXUIIZYNZSQQ-LJQANCHMSA-N 433.360 5.692 30 10 IKEE N#CCc1ncc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1C(F)(F)F 1848369992 FXLIBNGMFMYOBU-UHFFFAOYSA-N 434.459 7.100 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc3cc[nH]c3c2)cc1C 1862406823 ARKUJGLZUHEOTQ-DEOSSOPVSA-N 444.531 5.396 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1cccc(O)c1 1862411309 DVKCKQFWDRMWHA-RCDICMHDSA-N 435.426 5.010 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc(Cl)c1)c1cccc(Cl)c1 1862446709 YTNOBYKAGNLRRQ-HXUWFJFHSA-N 439.298 5.167 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2C2CC2)cc1 1862469677 TVUGGZQWNVBYHK-HXUWFJFHSA-N 440.337 5.313 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1 1862477139 SQVCVXDYRUVKLG-GMAHTHKFSA-N 439.983 6.586 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 1862479802 QERYNRBHBFJCSD-DEOSSOPVSA-N 431.576 6.204 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1 1862483618 GGJACCZBCVUMBS-RUZDIDTESA-N 439.511 5.315 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccc(CC)cc2)cc1 1862530851 ZHVLYYQQWKXYAN-SANMLTNESA-N 443.587 6.280 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN3CCCC3)[C@H]2c2ccc(C)cc2)cc1 1862533428 MMAZUNYIHIGZLP-VWLOTQADSA-N 446.591 5.012 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1ccc(F)cc1 1862570803 BYBNBJSAMYKXKD-QFIPXVFZSA-N 441.499 5.002 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1cccc(Cl)c1 1862592067 UUZYSIBUDJNKPE-YFZFPPMRSA-N 425.912 5.203 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccccc2)cc1F 1862636930 RRKYVDXLNMQSGD-HSZRJFAPSA-N 435.495 5.303 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(O)cc1 1862649552 AWVISAZZDLJVHM-DEOSSOPVSA-N 429.516 5.704 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc2cc[nH]c2c1 1862726754 NZPLNEGOWLTKPU-RUZDIDTESA-N 434.495 5.599 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccc(OCC)c1 1862727026 VBLNCPQZLWDBNP-RUZDIDTESA-N 441.527 5.741 30 10 IKEE Cc1ccccc1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2cccc3ccccc23)C1=O 1862849616 XDJZDAWZGWERTK-UHFFFAOYSA-N 429.479 5.417 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(F)cc3)C2=O)cc1 1863146470 YPXMSRMZIFBYQY-KRWDZBQOSA-N 439.490 5.213 30 10 IKEE C=CCN1C(=O)C(Nc2cccc(C(F)(F)F)c2)=C(c2cc(Cl)ccc2Cl)C1=O 1863382929 YGNRUPDLKUPJBZ-UHFFFAOYSA-N 441.236 5.390 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCC)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863632904 JMOJHAZBCFOKGW-UHFFFAOYSA-N 425.400 5.824 30 10 IKEE CCCCCCCCNC1=C(c2ccc(F)cc2F)C(=O)N(Cc2ccc(C)cc2)C1=O 1863651992 QRSVBCLKNMQSRN-UHFFFAOYSA-N 440.534 5.503 30 10 IKEE CCCCCCCCNC1=C(c2ccc(OC(C)C)cc2)C(=O)N(Cc2ccco2)C1=O 1863689774 DMMRZQCNJGDOBF-UHFFFAOYSA-N 438.568 5.297 30 10 IKEE CCOc1ccccc1N(C(=O)c1cccc(C#N)c1)C1CCN(Cc2ccccc2)CC1 1865852148 XPLNFFKNUKNFEO-UHFFFAOYSA-N 439.559 5.268 30 10 IKEE Cc1cccc2c(C(=O)Nc3c(C#N)c(-c4ccccc4F)nn3C)c3c(nc12)CCCC3 1866274861 GIVXFDAQXQDAEC-UHFFFAOYSA-N 439.494 5.086 30 10 IKEE CCC[C@@H](NC(=O)C[C@H](c1ccc(Cl)cc1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866759962 BDAVNJLZOFOGPT-FCHUYYIVSA-N 425.960 5.265 30 10 IKEE Cc1ccc(-c2nc(Nc3ccccc3C#N)cc(N3CCO[C@@H](c4ccccc4)C3)n2)cc1 1868326690 GFSMAVCISYZFRZ-RUZDIDTESA-N 447.542 5.645 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)C[C@@H](CC(C)C)c1ccc(F)cc1)c1ccccc1 1868945561 DLVAKUMFXAMSRT-BVAGGSTKSA-N 436.571 5.404 30 10 IKEE C=CCOc1cn(CCC(C)C)c(CNc2ccc(OCCCCCC)cc2)cc1=O 1870808907 GMJSSDNGGPQLCR-UHFFFAOYSA-N 426.601 6.030 30 10 IKEE C=CCOc1cn(CCCCCCCCCC)c(CNc2ccccc2C(C)C)cc1=O 1870812827 KUSRIPHOBJRBIB-UHFFFAOYSA-N 438.656 7.289 30 10 IKEE C=CCOc1cn(CCCCCCO)c(CNc2cc(C(C)C)cc(C(C)C)c2)cc1=O 1870815934 JJTDRTBWNJXNJU-UHFFFAOYSA-N 440.628 5.825 30 10 IKEE CCCCCCCOc1cn(C[C@@H](C)O)c(CNc2ccc(N(CC)CC)cc2)cc1=O 1870836188 HUTVSBXUGZNNLP-OAQYLSRUSA-N 443.632 5.037 30 10 IKEE CCCCCCCOc1cn(CCCN(C)C)c(CNc2ccc(Cl)cc2)cc1=O 1870837793 YLWKAVTXJDVPRD-UHFFFAOYSA-N 434.024 5.415 30 10 IKEE CCCCCCCCCCn1cc(OCCCO)c(=O)cc1CNc1cc(C)ccc1C 1871265001 FOARQFIOKACMNY-UHFFFAOYSA-N 442.644 5.979 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc3C2=O)o1 1871367357 HTKTWGSYECGOGW-JMIUGGIZSA-N 445.254 5.495 30 10 IKEE Cc1cc(OC(=O)CCc2cccs2)cc2c1C(=O)/C(=C/c1c(F)cccc1Cl)O2 1871391910 KXXBKWRBHRRZCD-NDENLUEZSA-N 442.895 6.003 30 10 IKEE Cc1ccccc1OCCCCOc1cc(C)c2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 1871404337 IZHAIGFCWVPGBM-XYGWBWBKSA-N 432.491 6.297 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccc(F)cc2)C3=O)c(C)c1 1871418755 LHVNQXWZOJEVJS-QRVIBDJDSA-N 431.463 5.385 30 10 IKEE Cc1cc(OCc2cccc3ccccc23)cc2c1C(=O)/C(=C/c1ccc(Cl)cc1)O2 1871433492 BOTVFQNQKCTCMZ-QFEZKATASA-N 426.899 6.997 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2cccs2)C3=O)cc1 1871450771 QACOKMDOWAMOHE-ZGWJWYQGSA-N 447.556 6.204 30 10 IKEE Cc1ccccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccccc1Cl)C2=O 1871453498 BLSJCNYANYHOHS-UUYOSTAYSA-N 433.891 5.591 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)CC 1871855338 DSBDBGILVCCNPO-HSZRJFAPSA-N 444.597 5.204 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(CC)cc1)C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1872078519 BIVGTTBRRBMMNP-JOCHJYFZSA-N 449.016 5.133 30 10 IKEE CC(C)(C)c1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(Cl)c(Cl)c3)n2)cc1 1872772153 ALDKVIISMZBLDU-KRWDZBQOSA-N 443.399 6.833 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@@H](C#N)C(=O)c2cccc(Br)c2)n1 1872780115 AAFSCCJQOMMSKF-KRWDZBQOSA-N 441.350 5.688 30 10 IKEE COc1ccccc1CC(=O)[C@H](C#N)c1nc(-c2ccc(OC)c3ccccc23)cs1 1872787270 FUGCPVSTLCCQDO-FQEVSTJZSA-N 428.513 5.399 30 10 IKEE C=CCN1C(=O)C(Nc2cccc(Cl)c2Cl)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873276476 JCTPYQPZUNMGGU-UHFFFAOYSA-N 449.337 6.038 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1 1873935069 GQWUKKLLXTWQTN-HZCBDIJESA-N 425.617 5.460 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1cccc(F)c1 1874213876 JXULWNVTXFILIB-BUVRLJJBSA-N 430.936 5.243 30 10 IKEE C=C(C)CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1cccnc1 1874217988 ZVVHQAIWVHSKJF-BHGWPJFGSA-N 427.961 5.073 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(COc2ccc(Cl)cc2)nnc1SCC=C 1874264558 DZITXRCFMLZXTK-BUVRLJJBSA-N 440.956 5.236 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccccc3F)n2/N=C/c2ccco2)CC1 1874288263 WHTRDMHNIREUCV-WGOQTCKBSA-N 440.588 6.649 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2OC)n1/N=C/c1c(F)cccc1Cl 1874288884 SEUBFVJPVWUFGA-BHGWPJFGSA-N 446.935 5.209 30 10 IKEE C=C(C)CSc1nnc(COc2c(C)cccc2C)n1/N=C/c1ccc(OCC)cc1 1874299685 NOPABFUXDXEYNE-AFUMVMLFSA-N 436.581 5.423 30 10 IKEE C=CCSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1cn(C)c2ccccc12 1874327898 MOMSTTWQYSMZQB-AFUMVMLFSA-N 431.565 5.126 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CCOc2ccccc2)nnc1SCC(=C)C 1874346237 DIJZZWSOQGSVHN-KOEQRZSOSA-N 434.565 5.015 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1cccc2ccccc12 1874358721 WOAYCONRSDWOHG-JVWAILMASA-N 426.589 6.189 30 10 IKEE CCCCOc1ccc(/C=N/n2c(COc3ccccc3)nnc2SCC)cc1OC 1874384699 CQRLJUAKVDSRBK-LFVJCYFKSA-N 440.569 5.039 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2cccc(O)c2)cc1 1874387615 WDPWRBCFCNLSSV-WGOQTCKBSA-N 428.561 5.366 30 10 IKEE Cc1cccc(CSc2nnc([C@H](C)c3ccccc3)n2/N=C/c2ccccc2O)c1 1874394786 VTJLUCKUQRQAMB-DZTFFZQKSA-N 428.561 5.618 30 10 IKEE COc1cccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccccc2C)c1 1874397059 YVUDJRGYWHRTBF-OVVQPSECSA-N 442.588 5.555 30 10 IKEE O=C(O)c1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2-c2ccccc2)cc1 1874429364 HARYAEMLJONLKS-AFUMVMLFSA-N 448.935 5.471 30 10 IKEE Cn1cccc1/C=N/n1c(SCc2ccc(Cl)cc2Cl)nnc1C1CCCC1 1874457243 IGOBVAHVSMFGNP-FSJBWODESA-N 434.396 5.756 30 10 IKEE FC(F)(F)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1cccnc1 1874463079 SAKJLKWRGKECDV-LIMNOBDPSA-N 432.258 5.173 30 10 IKEE COc1cc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2-c2ccco2)ccc1O 1874466986 MSLHEBWWFASASJ-ZMOGYAJESA-N 434.521 5.044 30 10 IKEE CCCCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1/N=C/c1ccc(CC)cc1 1874480153 KOZHHJRAOMYSEQ-OJWZXOLNSA-N 449.624 5.035 30 10 IKEE C=CCSc1nnc(C2CCC2)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1874496529 QQPJYWIMKYXXBT-MFKUBSTISA-N 438.984 5.938 30 10 IKEE CC(C)(C)c1ccc(/C=N/n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C2CC2)cc1 1874518443 UASBVXMCLNAPHI-ZVHZXABRSA-N 435.553 5.536 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CC2)cc1 1874520437 MQIVANFAQPGUAI-ZVHZXABRSA-N 426.973 5.772 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1OCc1ccccc1F 1874594876 IGRGTGNYEZDDKM-PKNBQFBNSA-N 441.296 6.072 30 10 IKEE C=C(C)COc1c(OC)ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c1Br 1874597193 YYZMDNGPZMAZBJ-UKTHLTGXSA-N 443.381 6.606 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCc3ccccc3Cl)c2)c(OC)c1OC 1874601516 OYAPRAZPBYVDBB-ACCUITESSA-N 438.907 5.841 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OCc1cccc(Cl)c1 1874603929 MMMBNKDLPCXCSB-GXDHUFHOSA-N 446.974 7.093 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccc(OCc2ccc(C)cc2)cc1 1874628580 KYAAVGPVXGNXCY-FMIVXFBMSA-N 427.327 6.786 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Br)c(OC)c(OC)c2)c(OCC)c1 1874632224 RECOESXLUWIMCX-JXMROGBWSA-N 435.314 5.160 30 10 IKEE CCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(CC)cc1 1874684202 PGDAWUPULBEPRX-SANMLTNESA-N 447.623 6.147 30 10 IKEE O=C(CCCOc1ccccc1)Oc1cccc(/C=C/C(=O)c2ccc3c(c2)OCO3)c1 1874707759 VTAUFGRYTQXDHX-ACCUITESSA-N 430.456 5.076 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3cccc(/C=C/C(=O)c4cccc5ccccc45)c3)c(C)c2c1 1874708058 KMJRTYUXPBIGFA-JQIJEIRASA-N 445.518 7.053 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OC(=O)c1ccccc1[N+](=O)[O-] 1874708260 UIXDWNCWXSNAKG-RIYZIHGNSA-N 445.471 5.842 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@H]3CCCO3)c2)cc1 1874708723 QZTJNWFBUVOPAK-CFIYRGOSSA-N 436.548 6.016 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccc3c(c2)OCO3)c1 1874713301 PSDQWVLVWKJUPC-VQHVLOKHSA-N 430.456 5.156 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OC(=O)c1ccc2c(c1)OCO2 1874716526 WMMVQGLMCBHROO-VMPITWQZSA-N 444.483 5.464 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)c1cccc(Cl)c1 1875123373 IXCQDDROWRBVGI-IZZDOVSWSA-N 431.702 6.762 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OC(=O)c1ccccc1OC 1875127043 LVOTZZZLGQBXKR-BUHFOSPRSA-N 436.891 5.863 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc4ccccc34)c(Cl)c2)c(C)c1 1875131793 OOINJRHYDIQDOB-SDNWHVSQSA-N 440.926 7.225 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc([N+](=O)[O-])c1OC(=O)c1ccccn1 1875134731 ICRMRQIHIIWGDF-PKNBQFBNSA-N 446.459 5.121 30 10 IKEE Cc1ccc(C)c(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2)c1C 1875155865 DJILFMSWKCJJQD-LICLKQGHSA-N 442.555 6.616 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc3c(c2)OCO3)c(Cl)c1)c1ccc(F)c(F)c1 1875162527 MMZWOJSVXCLVNO-LZCJLJQNSA-N 442.801 5.462 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3cccc(F)c3)cc2)cc1C(C)C 1875163643 VYSZZXPVWJQDOC-JLHYYAGUSA-N 432.491 6.381 30 10 IKEE N#Cc1ccc(CC(=O)NCCSc2cn(Cc3ccccc3)c3ccccc23)cc1 1891725431 NBPOTEJUDHKSRM-UHFFFAOYSA-N 425.557 5.012 30 10 IKEE Cc1ccc(Nc2nc(C)cc(Nc3ccc(NC(=O)Nc4cccc(C#N)c4)cc3)n2)cc1 1892025586 YVTHEYQWAAAQER-UHFFFAOYSA-N 449.518 6.096 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1944695985 VUKBNCDPWGVUEI-QUCCMNQESA-N 429.561 5.276 30 10 IKEE C[C@H]1CN(Cc2ccccc2)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1949313083 KBLDBRRFQWTXBF-DFBJGRDBSA-N 439.987 5.886 30 10 IKEE CC(C)(C)OC(=O)NCC[C@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)C1 1950510461 COTDQIYBERIRTG-KOSHJBKYSA-N 435.609 5.533 30 10 IKEE CCCN(CCC#N)C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC 1985180672 XBDKOJPDJJWEQG-UQBPGWFLSA-N 447.579 5.092 30 10 IKEE CN(C)c1ccc(C=CC=NN=C2CC[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]23C)cc1 2040465356 KJCIEPRMJJUJPF-CPBPHFQFSA-N 445.695 7.625 30 10 IKEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@]1(C#N)CC[C@@H](C)C[C@H]1OCc1ccccc1 2043776921 TWRFSPQCIPLNOH-HNVPCBRESA-N 443.632 5.233 30 10 IKEE CCOC(=O)c1c(-c2ccccc2Cl)csc1N=CC=Cc1ccccc1[N+](=O)[O-] 2053505526 RSXFXNOVNXDWGY-UHFFFAOYSA-N 440.908 6.569 30 10 IKEE CC(C)c1nn([C@@H](c2ccc(C3CC3)cc2)C2CC2)c(I)c1C#N 2079014597 FLIFAFPIFYSVRP-IBGZPJMESA-N 431.321 5.360 30 10 IKEE Fc1ccc(-c2c(C(F)(F)F)nn([C@H]3CCOC3)c2Br)cc1C(F)(F)F 2080822331 MZTMWJOPLFVFST-QMMMGPOBSA-N 447.148 5.451 30 10 IKEE CC1(C)OB(c2ccc(OCCN(Cc3ccccc3)CC3CCCC3)cc2)OC1(C)C 2095821573 UGOIUELGNRMRGZ-UHFFFAOYSA-N 435.417 5.057 30 10 IKEE Cc1ccc(Br)cc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 2098581620 ZLYYENIAVRRRKM-GOSISDBHSA-N 435.749 6.417 30 10 IKEE C=CCN(C[C@H](Cc1cc(Br)ccc1Cl)NCCC)C(=O)OC(C)(C)C 2110502346 AAMRZNWSVJMKRR-KRWDZBQOSA-N 445.829 5.436 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](Cc2ccc(Cl)cc2Br)NC)C1 2126686224 YHAHJBGIVDPCNQ-QGZVFWFLSA-N 443.813 5.094 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Br)c1C)NCCC 2143734854 YZVKQGTWVOXHNU-VQTJNVASSA-N 439.438 5.528 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@H]1Nc1cccc(Br)c1C#N 2162335051 NXDMBCLQGAJHLO-KDOFPFPSSA-N 434.378 5.206 30 10 IKEE C=CCN(CC[C@@H](NCCC)c1cc(C)c(Br)cc1C)C(=O)OC(C)(C)C 2201059758 NLHOVMWQQLJFFR-HXUWFJFHSA-N 439.438 5.920 30 10 IKEE C=CCCCCCCC[C@H](O)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2227285848 KZHVFQMCGUJNGA-IBGZPJMESA-N 426.395 6.746 30 10 IKEE C=C([C@H](NC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)C(C)(C)C 2229136336 JQGJZKJWGCTCOB-MSOLQXFVSA-N 425.411 5.075 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1sc(C)c(C)c1Br 2229310403 YVRPWMDFSGPAMR-DOTOQJQBSA-N 443.451 5.475 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)CCCCCCNC(=O)OC(C)(C)C 2235721929 JNMVSVOGGAIUFF-IBGZPJMESA-N 437.422 5.254 30 10 IKEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N(Cc1ccccc1)[C@@H](C)C(C)(C)C 2255600965 VLHMZCFEHAGWPU-SFHVURJKSA-N 441.446 5.433 30 10 IKEE C=CCCC1([C@H](O)Cc2cccc(Br)c2Cl)CN(C(=O)OC(C)(C)C)C1 2266310747 SIDZZSAOFULQNV-MRXNPFEDSA-N 444.797 5.209 30 10 IKEE CC(C)(C)OC(=O)NCc1cccc(Cl)c1Nc1c(Br)cccc1C#N 2269690170 SZOOZHXKIDDPER-UHFFFAOYSA-N 436.737 5.742 30 10 IKEE CCCCN1C(=O)C(=C2Sc3ccccc3N2C)SC1=Nc1ccccc1OC 2295196086 SJRCFQVRCGPLPQ-UHFFFAOYSA-N 425.579 5.469 30 10 IKEE CC(C)(C)OC(=O)N[C@@](C)(C1CCCCC1)[C@H](O)C#Cc1cccc(Br)c1 2296223780 CXRYRROXVBZUSB-KNQAVFIVSA-N 436.390 5.025 30 10 IKEE CC(C)[C@H](CCNC(=O)OC(C)(C)C)CC[C@@H](O)C#Cc1ccc(Br)cc1 2296277961 YSCOMSDNEFOQCD-ICSRJNTNSA-N 438.406 5.129 30 10 IKEE CCN1C(=O)C(=C2Sc3ccc(Cl)cc3N2C)SC1=Nc1ccc(Cl)cc1 2297322736 CFFBXGRDDPXUES-UHFFFAOYSA-N 436.389 5.987 30 10 IKEE CC1(C)C(=S)N(c2ccc(C#N)cc2)C(=NC23CC4CC(CC(C4)C2)C3)[C@H]1N1CCCC1 2297736759 DATKXTKVNMQNCR-KSJZQUJJSA-N 446.664 5.564 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Br)c(Oc2nc(Cl)c(C#N)s2)c1 2303971866 LSWVVPLVIXJKBJ-UHFFFAOYSA-N 430.711 5.570 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(Br)cc3)cc2)c1 2314429244 BVRHNGHLGQAKFM-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE Cc1ccc(COc2ccc(C=C3SC(=Nc4nc(C)cs4)N(C)C3=O)cc2)cc1 2314542409 KVBPSJQNXOXBBV-UHFFFAOYSA-N 435.574 5.573 30 10 IKEE CCCCOc1ccc(C=Nn2c(CC)nnc2SCc2cccc3ccccc23)cc1 2318571849 UKNBIZBBLPARTF-UHFFFAOYSA-N 444.604 6.347 30 10 IKEE N#Cc1nc(-c2ccccc2)oc1NN=Cc1ccc(OCc2ccccc2Cl)cc1 2320833974 NWZPTFDWSABJDA-UHFFFAOYSA-N 428.879 5.892 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCc4cc(C)ccc4C)c3C)C2=O)cc1OC 2321753927 FZVXENDVXMXIOV-UHFFFAOYSA-N 430.500 5.824 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OCc4ccc(Cl)cc4)cc(C)c3C2=O)cc1 2321773099 OJAPNSJDHDKLJV-UHFFFAOYSA-N 447.962 6.690 30 10 IKEE COc1ccc(C=C2Oc3cc(OCC=Cc4ccccc4)cc(C)c3C2=O)cc1OC 2321813856 LXHNOICZFMSNQF-UHFFFAOYSA-N 428.484 5.721 30 10 IKEE CCOc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccc(C)cc2)C4)cc1 2321958811 UOPUWGYHSDSIRA-UHFFFAOYSA-N 441.527 5.670 30 10 IKEE CCN(CC)CCCN1COc2ccc3c(c2C1)OC(=Cc1ccc(C(C)C)cc1)C3=O 2322115012 QBOMZRVUKSHSAW-UHFFFAOYSA-N 434.580 5.310 30 10 IKEE CCCCCOc1ccc(C=Nn2c(S)nnc2CCCOc2ccc(C)cc2)cc1 2322166881 LRKVMXBTHZNCBS-UHFFFAOYSA-N 438.597 5.338 30 10 IKEE CCOc1ccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3ccccc3)C4)C2=O)cc1 2322312254 BXKAPVZAVMZADH-UHFFFAOYSA-N 427.500 5.362 30 10 IKEE COC(=O)c1ccc(COc2ccc(Cl)cc2C=CC(=O)c2ccc(F)cc2F)o1 2322501999 OFFLXABKJDEZTM-UHFFFAOYSA-N 432.806 5.473 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1OCc1ccc(Cl)cc1 2323049397 LRHQWZFJTQRRBM-UHFFFAOYSA-N 432.947 6.703 30 10 IKEE COc1ccc(NN=Cc2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1 2323073146 GGSHXVKUYXWIFO-LJAQVGFWSA-N 446.554 6.497 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1OCC(=O)Nc1cc(C)cc(C)c1 2323126466 VMDFSUVAVNTOMS-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2)Oc2cc(OC(=O)c3ccc(F)c(F)c3F)ccc21 2323126595 SDTHSIIMCOPRNQ-UHFFFAOYSA-N 430.765 5.593 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3c(C)cccc3C)c2)c(C)c1C 2323248055 WBWHUAULDDCIJN-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OCc1nc(O)c2ccccc2n1 2323279770 HJSMWJHEGBHVTC-UHFFFAOYSA-N 440.499 5.436 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cccc(OCC(=O)Nc3cccc(C)c3C)c2)c(C)c1 2323302935 OSADEIDIVLHDGQ-UHFFFAOYSA-N 427.544 6.142 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl)Nc1ccccc1 2323371133 FCLMIOJEDDEPJN-UHFFFAOYSA-N 436.851 5.162 30 10 IKEE CC(C)Oc1ccc(S(=O)(=O)NN=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 2323413140 WHCSFJKAGXKTFC-UHFFFAOYSA-N 446.613 5.087 30 10 IKEE Cc1c(OC(=O)C=Cc2cccs2)ccc2c1OC(=Cc1c(F)cccc1Cl)C2=O 2323530600 PGLHFBOYQHUHKP-UHFFFAOYSA-N 440.879 6.084 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OC(=O)c3ccc(OCC(C)C)cc3)ccc2C1=O 2323629654 CUDXMDDHSYDTIM-UHFFFAOYSA-N 434.513 5.927 30 10 IKEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1cccc(F)c1 2323675176 OIWIWJXYCHMBSA-UHFFFAOYSA-N 437.423 5.226 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 2323844153 DWTPIGVUKRPTFD-UHFFFAOYSA-N 433.460 5.477 30 10 IKEE CCCCOc1c(OC)cc(C=NNc2nc(-c3ccccc3)cs2)cc1[N+](=O)[O-] 2323873023 QQIZZUBULDIIBO-UHFFFAOYSA-N 426.498 5.352 30 10 IKEE O=C1C(=Cc2ccc(F)cc2)Oc2c1ccc(O)c2CN(C1CCCCC1)C1CCCCC1 2324041988 QLNFGKRIPNRQQW-UHFFFAOYSA-N 449.566 6.615 30 10 IKEE Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2cccs2)C3=O)c(C)c1 2324331996 PNANPZVFPKOMGO-GOSISDBHSA-N 447.556 6.004 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OCCCOc4cccc(C)c4)c3C)C2=O)cc1 2324567667 GPNFGMNAMTZHPC-UHFFFAOYSA-N 428.528 6.330 30 10 IKEE CCCC[C@@H](Oc1cc(C)c2c(c1)OC(=Cc1cn(C)c3ccc(OC)cc13)C2=O)C(=O)O 2324781979 RLJYHLBUGLGNER-OAQYLSRUSA-N 449.503 5.134 30 10 IKEE O=[N+]([O-])c1cccc(C=Nn2c(Cc3ccccc3)nnc2SCc2cccc(F)c2)c1 2325471638 MLFSPUIBEXWSGN-UHFFFAOYSA-N 447.495 5.091 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1cccc(OC)c1OCC 2325512668 ZZNLRSMLWOGZRQ-UHFFFAOYSA-N 442.560 5.342 30 10 IKEE Cc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(Cl)c(Cl)c1 2325645508 FCFGAJUXIBZNKJ-UHFFFAOYSA-N 429.735 5.860 30 10 IKEE COc1cccc(C(=O)C=Cc2cccc(OC(=O)CCCOc3ccccc3C)c2)c1 2325707519 KFICZPQFFOHSMC-UHFFFAOYSA-N 430.500 5.664 30 10 IKEE CCc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2325722452 VAPABFYGYFHMLA-UHFFFAOYSA-N 433.891 5.536 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccc(C)cc1)C2=O 2325737581 XFZNKJLLCLYDJY-UHFFFAOYSA-N 427.500 5.500 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2)c(OC)c1 2325761767 PVAQOAGKVXDBDY-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1ccccc1 2325883603 VDYFOJDZOFJWKO-UHFFFAOYSA-N 442.588 5.993 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(C=CC(N)=O)cn1 2327702653 OSYUHLXJAXTOSI-UHFFFAOYSA-N 429.649 6.780 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2N=Cc2ccc(C(=O)OC)cc2)CC1 2328187147 ZANZKCCLOLSFHK-UHFFFAOYSA-N 442.629 5.913 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2N=Cc2cccn2C)cc1 2329382866 JPUXSBZKYCKWSB-UHFFFAOYSA-N 429.593 5.307 30 10 IKEE COc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc(Cl)c1OC(=O)C1CCC1 2330592302 VCJZDPBDLKXLCA-UHFFFAOYSA-N 446.930 6.617 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)c1cccc([N+](=O)[O-])c1 2330620296 HXURUTVTXZMZKS-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3c(C)cccc3C)cc2)cc1OC 2330710833 SQYAERAKKUWVHD-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)c3ccccc3)c(Cl)c2)cc1 2330832977 XOXJRGQBEOKJEX-FQEVSTJZSA-N 446.974 7.288 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cccs3)c(Cl)c2)cc1C 2330860209 AAJDHUUOXQHOID-UHFFFAOYSA-N 426.921 5.763 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)cc3)c(Cl)c2)cc1C 2330860217 AUASRGKZEMPKLF-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE O=C(CCOc1ccccc1)Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1Cl 2330919414 ONZOVQYIWQTGMB-UHFFFAOYSA-N 441.310 6.264 30 10 IKEE Cc1cccc(CSc2nnc([C@@H]3CCCO3)n2N=Cc2ccc(Cl)c(Cl)c2)c1 2330919459 XBKJCZGLQCZGST-IBGZPJMESA-N 447.391 5.919 30 10 IKEE Fc1cccc(CSc2nnc(C3CCCC3)n2N=Cc2ccc(C(F)(F)F)cc2)c1 2331048544 ZAJYZTCPMVIOAN-UHFFFAOYSA-N 448.489 6.268 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)Cc2ccc(C)c(C)c2)c(Cl)c1 2331059421 YNBHMQHEMNVZMF-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1cccc(Cl)c1 2331123035 UDDRDNGDUMBQCZ-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Br)c1OC(=O)CC 2331154852 SMDVGKREBMSYHF-UHFFFAOYSA-N 437.717 5.713 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2-c2ccco2)cc1 2331211479 OVYXADRVXZPVIZ-UHFFFAOYSA-N 438.940 5.765 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)c(C)c3)c([N+](=O)[O-])c2)c1 2331322491 DJAQEENZHYVVLJ-UHFFFAOYSA-N 447.462 5.703 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3F)c([N+](=O)[O-])c2)ccc1F 2331339157 KVAFNTBZBLKSGS-UHFFFAOYSA-N 437.398 5.226 30 10 IKEE COc1cccc(C=Nn2c(CC(C)C)nnc2SCc2c(Cl)cccc2Cl)c1 2331462718 IXFGPIJFOUFPOX-UHFFFAOYSA-N 449.407 5.967 30 10 IKEE CC(C)Cc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccccc1OC(C)C 2331470799 KUTNXMQCPJAFSY-UHFFFAOYSA-N 443.016 6.092 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)C(F)(F)F)c(Br)c2)cc1 2331496291 HKRFLKSALYFVAN-UHFFFAOYSA-N 441.243 5.936 30 10 IKEE C=CCSc1nnc(C2CCC2)n1N=Cc1ccc(OCc2ccccc2)c(OC)c1 2331539821 WZDPKLNXBJZLOP-UHFFFAOYSA-N 434.565 5.294 30 10 IKEE COCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(C(C)C)cc1 2331592127 QFLQINGPFFOXFR-UHFFFAOYSA-N 449.407 6.029 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c(Cl)c2)cc1C 2331706461 UJTBYSRQHXFLSJ-UHFFFAOYSA-N 449.890 6.289 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)c1ccc(C)cc1 2331711520 VPSWTMOAUFKVDZ-UHFFFAOYSA-N 440.539 6.464 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc(OC)c1OC(=O)CC(C)C 2331754624 OCKKTDANONNEBK-UHFFFAOYSA-N 446.927 5.522 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3C)c(Cl)c2)c(C)c1 2331768631 BYRHHYOZMPEOGZ-UHFFFAOYSA-N 446.974 7.008 30 10 IKEE CC(C)c1ccc(C=CC(=O)Nc2c(C#N)nnn2Cc2ccc(Cl)c(Cl)c2)cc1 2332147597 MTTUSIFRLSRSAI-UHFFFAOYSA-N 440.334 5.280 30 10 IKEE Cc1cc(Cl)ccc1-n1nnc(C#N)c1NC(=O)C=Cc1ccc(Cl)cc1Cl 2332187652 XJUUHPMDACGTII-UHFFFAOYSA-N 432.698 5.060 30 10 IKEE CC[C@H](C)[C@H](CNC(=O)OC(C)(C)C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339606315 PEOIDQOZOYWGHY-YFOSEYIMSA-N 446.397 5.044 30 10 IKEE C=C[C@@H](C)C[C@H](Cc1ccc(I)c(Br)c1)NCCC 2349789703 ZGNAKPJLRATRGM-TZMCWYRMSA-N 436.175 5.177 30 10 IKEE C=C(C)CN(Cc1ccccc1)[C@@](C)(C(=O)O)c1cc2cc(Br)ccc2o1 2373728460 VVMWKMZDHBVTJT-JOCHJYFZSA-N 428.326 5.573 30 10 IKEE COc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1S[C@@H]2c1ccc(C)cc1 17095548 JFZPACGXOKJGEX-XHCCPWGMSA-N 427.569 6.663 30 10 IKEE COc1ccccc1[C@H]1C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)Nc2nc3ccccc3n21 19629598 CHCXLECKFGUQCQ-QUGAMOGWSA-N 439.490 5.600 30 10 IKEE CCn1nc(C)c(CN/C(=N/C(=O)c2ccccc2F)Nc2ccc(Cl)cc2C)c1C 32971807 ACCDVFHGOLXMJR-UHFFFAOYSA-N 441.938 5.019 30 10 IKEE CCn1nc(C)c(CCN/C(=N\C(=O)c2ccccc2C)Nc2ccc(C(C)C)cc2)c1C 32973291 UMSOWAMNAYXTEW-UHFFFAOYSA-N 445.611 5.392 30 10 IKEE C/C(=N/OCc1ccccc1F)c1cc(-c2ccc(F)cc2)n(-c2cccc(C)c2)c1C 35843451 VTIODPHLUKWRFN-FSGOGVSDSA-N 430.498 6.980 30 10 IKEE C=CCC[C@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC 36302194 AEGMFGUUVQAPHG-QHCPKHFHSA-N 449.595 5.521 30 10 IKEE N#CCCN(Cc1ccccc1)C(=O)COc1ccc(-c2ccccc2)cc1Br 36563548 GMIANVJMLTUDGJ-UHFFFAOYSA-N 449.348 5.437 30 10 IKEE C=CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(F)cc2)cc1 39872404 USXGKTHALQQEEM-HSZRJFAPSA-N 427.431 5.247 30 10 IKEE C=C(Br)Cn1c(CCCCCNC(=O)c2ccccc2)nc2ccccc21 40212377 JVYSCIKNWXUYNP-UHFFFAOYSA-N 426.358 5.088 30 10 IKEE COc1cc(OC)c(OC)cc1/C=C1\Oc2c(ccc(OCc3ccccc3)c2C)C1=O 41432761 PFGNHCLAXTYREE-CFRMEGHHSA-N 432.472 5.216 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O3)CN(C[C@@H]1CCCO1)CO2 41648285 KZHWSHPCOVEKEX-YTLMXASBSA-N 433.548 5.240 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3c(ccc4c3CN([C@@H](C)c3ccccc3)CO4)C2=O)cc1 41655112 NNIXWPIZJYLODI-PKFJFBDISA-N 425.528 6.339 30 10 IKEE N#Cc1c(/N=C/c2ccc(/C=N/c3sc4c(c3C#N)CCC4)cc2)sc2c1CCC2 59460082 VULOVOGPWXJXCA-OCHFTUDZSA-N 426.570 6.032 30 10 IKEE C=CCn1cc(/C=C2/S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)c2ccccc21 100060909 GCSOGIKNJZEHLY-IXTCTEKTSA-N 441.600 6.764 30 10 IKEE COc1ccc(-c2csc(N3N=C(C)/C(=N\Nc4cccc5ccccc45)C3=O)n2)cc1 100341566 ACXPTINHFKJUDZ-HPNDGRJYSA-N 441.516 5.163 30 10 IKEE C=C(C)COc1ccccc1NC(=S)NC(=O)c1sc2cc(OC)ccc2c1Cl 100464883 MEWVYMUGRZXQKA-UHFFFAOYSA-N 446.981 5.645 30 10 IKEE CC(C)=CCC/C(C)=C\CC/C(C)=C\CC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O 100859872 DKHGMERMDICWDU-JXRYYGEUSA-N 444.659 8.918 30 10 IKEE in-vitro CCCN1C(=S)N[C@@H](c2ccc(Br)cc2)C(C(=O)c2ccccc2)=C1C 169928629 UCULKTLCWMKVPZ-IBGZPJMESA-N 429.383 5.247 30 10 IKEE CCN1C(=S)N[C@@H](c2ccc(OC3CCCCC3)cc2)C(C(=O)c2ccccc2)=C1C 169931675 FHROMPCLCSPMAD-DEOSSOPVSA-N 434.605 5.806 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccc(O)cc2)cc1C 169961439 VQCMSYQNVOFDFZ-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(OC(C)C)cc1 169979368 VWEJWEYZFKQRTF-DEOSSOPVSA-N 449.547 5.312 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccc2ccccc12 170045993 LSNPWQWPZGBEBB-XMMPIXPASA-N 441.483 5.201 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(Cl)cc2)=C(N2C[C@@H](C)C[C@H](C)C2)C1=O 170069801 BOLDTLSBTJCNGR-OALUTQOASA-N 431.020 5.758 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccco2)c1 170089768 OUUDPCITYMOZNG-QFIPXVFZSA-N 435.451 5.299 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2C2CCCC2)cc1 170117064 QVOYCHDCJLIGIV-DEOSSOPVSA-N 449.547 5.251 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1OC 170125016 JSRPJFPAFUIGKX-LJQANCHMSA-N 434.319 5.380 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccc(C)c2)cc1C 170141037 YOXBJOQFRAXJKP-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(OC(C)C)cc1 170152406 QKTSOUKLURZSCX-HXUWFJFHSA-N 448.346 5.769 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC(C)C)c3)[C@H]2c2cccs2)c1 170156473 LFXMTKMZKQGPBI-HSZRJFAPSA-N 447.556 5.874 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2cccs2)c1 170158711 ZACUEJLQSKOAMG-JOCHJYFZSA-N 449.528 5.165 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccs2)cc1C 170159342 VRUDIJACYLPZDD-JOCHJYFZSA-N 433.529 5.628 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc2ccccc12 170221125 MJYPZZVCLBXKOB-OAQYLSRUSA-N 440.326 6.135 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccccc2)cc1C 170226029 BNUHXMGKXIIRBM-VWLOTQADSA-N 441.527 5.712 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1ccccc1)c1cccc(Cl)c1 170229123 LQMXZYOGGOGJPY-HXUWFJFHSA-N 425.818 5.401 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(Cl)cc1)c1ccc2ccccc2c1 170237122 JRAPULKERYZEMA-QHCPKHFHSA-N 431.919 6.014 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(Cl)c(Cl)c1 170246537 BXFWSOSBEOCZED-NRFANRHFSA-N 440.326 6.135 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@H]1c1ccc(Cl)c(Cl)c1 170246702 RHHXRYORPSUWFR-HXUWFJFHSA-N 448.346 5.607 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2C)ccc1OC(C)C 170275517 SATNZARBNUDROK-RUZDIDTESA-N 447.575 6.002 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccco2)ccc1OC(C)C 170286062 IOVNPFQLSGJLMK-DEOSSOPVSA-N 445.515 5.775 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(CCCOC(C)C)[C@@H]1c1ccco1 170295522 MQAOKOHTORNGQO-JOCHJYFZSA-N 439.552 5.279 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2sccc2C)cc1C 170314680 AHYVZAWLCSHCEI-NRFANRHFSA-N 449.528 5.252 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc(Br)cc2)=C(O)C(=O)N1C1CCCC1 170319618 JDMPCPPLHSNTEQ-KRWDZBQOSA-N 446.366 5.340 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2ccc(OCC(C)C)cc2)c1 170349946 CJYZBUSYCOPANU-DEOSSOPVSA-N 442.515 5.208 30 10 IKEE Cc1ccccc1NC(=O)c1cc2ccccc2c(C=Nc2ccc3ccccc3c2)c1O 254287369 YTSUMXOIMUKITQ-UHFFFAOYSA-N 430.507 7.010 30 10 IKEE CCOC=Nc1c(C(=O)OCC)sc2nc(-c3ccccc3)c3c(c12)CC(C)(C)CO3 254626530 GJBMAPKEODCTLC-UHFFFAOYSA-N 438.549 5.797 30 10 IKEE N#Cc1ccc(Cl)cc1Nc1ccc(Br)c(I)c1 305946301 GEPQUDNGZFNKKG-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)ccc(F)c1Br 407114746 GQXDEXYAAITZIN-QAPCUYQASA-N 447.364 5.628 30 10 IKEE C[C@@]12CC[C@@]3(C)[C@@](C)(CC[C@@]4(C)C(=O)/C(=C/c5cccnc5)C[C@]34C)[C@@]1(C)CC[C@H](O)C2 504647243 KJQCPCBMQUPVPN-XOLKANEYSA-N 435.652 6.608 30 10 IKEE COc1cc(/C=N/N(C(N)=S)c2ccccc2)ccc1OCc1ccc(Cl)cc1 514251976 RDFKGIMLYHVZTN-AFUMVMLFSA-N 425.941 5.012 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 526488209 LIBRLZXTCSGDIS-OAQYLSRUSA-N 431.835 5.177 30 10 IKEE CCCOc1ccc(/C=N\n2c(CCC)nnc2SCc2ccc(F)cc2)cc1Cl 526803095 RFNQCTWNCUCVLS-QFEZKATASA-N 446.979 5.986 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1/N=C\c1ccc(OC)c(O)c1Cl 526803809 OQJWHCQFNXDUQN-MSXFZWOLSA-N 448.951 5.302 30 10 IKEE CCc1nnc(SCc2ccccc2Cl)n1/N=C\c1cccc(OCC(C)C)c1 526816331 CEKFVEWTLGAQKL-CFRMEGHHSA-N 428.989 5.703 30 10 IKEE COc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)c(F)c1 698456043 GZBNDGYFDCFTSA-SFHVURJKSA-N 435.293 5.603 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)COCc2ccccc21 698483807 YAPSYQCITYFMLG-NRFANRHFSA-N 429.314 5.140 30 10 IKEE Cc1cc(O)c(C(C)C)cc1N=Cc1cc(Br)c(O)c(Br)c1 1083976621 QCDAWJOLBNAMIZ-UHFFFAOYSA-N 427.136 5.805 30 10 IKEE COc1ccccc1CNN=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 1084444679 MGCJFTRDXNFSLZ-UHFFFAOYSA-N 445.346 5.713 30 10 IKEE NC[C@@H]1CCC[C@H](CN/C(=N/Cc2ccc(C(F)(F)F)cc2)Nc2cccc(F)c2)C1 1088664514 CTPJRZBGCZENKM-MSOLQXFVSA-N 436.497 5.167 30 10 IKEE O=C(/C=C(\Nc1ccc(Br)c(Cl)c1)C(=O)c1ccccc1)c1ccccc1 1088696509 OEBVBMXSXPGOQM-ZHZULCJRSA-N 440.724 6.164 30 10 IKEE C[C@@]12CC/C(=N\Nc3cccc(Cl)c3Cl)C=C1CC[C@H]1[C@H]2CC[C@@]2(C)C(=O)CC[C@H]12 1614360626 HESAJDXBMHQLJH-XUMPQIICSA-N 445.434 7.293 30 10 IKEE N#Cc1ccccc1NC(=O)Oc1cccc2c(NC(=O)c3cccc(F)c3)cccc12 1858767949 WECGNDJKEHBFJU-UHFFFAOYSA-N 425.419 5.714 30 10 IKEE N#Cc1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)n(Cc2ccc(F)cc2)n1 1859387116 AFWAPVVARVTFEU-UHFFFAOYSA-N 430.870 5.515 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)COc1c(C)ccc(C)c1C 1861661983 HYHXNBYZSVNGHP-HSZRJFAPSA-N 432.649 5.532 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2cc(C)ccc2C)n(-c2ccc(Cl)c(Cl)c2)n1 1862345168 AIEZBTQWCOUTBA-UHFFFAOYSA-N 440.374 6.277 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1F 1862413645 HWZKQLJGTHDUDG-OAQYLSRUSA-N 441.380 5.022 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccc(F)cc2)cc1 1862442765 KXEVGFCKONSECR-QHCPKHFHSA-N 449.909 5.609 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@@H]1c1ccccc1F)c1cccc(Cl)c1 1862443965 UZNOFZVPSAGOMD-HXUWFJFHSA-N 441.911 5.362 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2cccc3ccccc23)cc1 1862531458 OAQGOCDRVRKBNT-AREMUKBSSA-N 448.522 5.576 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1cccc2ccccc12 1862575190 YQNJNNJJXOBXAI-VOIUYBSRSA-N 445.515 5.234 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(OC)cc1 1862581575 KWGCDZNOUYDXKB-HXPMCKFVSA-N 434.319 5.379 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(OCCC)cc1 1862586138 MULFRYKAAVLVOP-FQEVSTJZSA-N 446.330 5.547 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(F)cc1 1862649981 KVFFPQKNZAIMFP-WSNNEZGNSA-N 443.518 6.136 30 10 IKEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2C)cc1 1862674566 OYIWVHADJVDRGW-OSPHWJPCSA-N 445.490 5.482 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1c(Cl)cccc1Cl 1862716384 FUVLGXZMHVGMCO-NRFANRHFSA-N 438.310 5.911 30 10 IKEE COc1ccccc1C1=C(Nc2ccccc2C#N)C(=O)N(c2cccc3ccccc23)C1=O 1863057127 YIBIMPBDTBJKEA-UHFFFAOYSA-N 445.478 5.117 30 10 IKEE N#Cc1ccccc1N1C(=O)C(Nc2ccc(Cl)c(Cl)c2)=C(c2cccs2)C1=O 1863120097 WBEFBUIIPXZIMH-UHFFFAOYSA-N 440.311 5.323 30 10 IKEE Cc1cccc(NC2=C(c3c[nH]c4ccccc34)C(=O)N(c3ccccc3C#N)C2=O)c1C 1863136329 JAIVURWPFSQRPE-UHFFFAOYSA-N 432.483 5.053 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C)c2)=C(c2ccccc2[N+](=O)[O-])C1=O 1863234659 NKVULCMCGLZOJG-UHFFFAOYSA-N 435.524 5.456 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2C(F)(F)F)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863285894 CBWQMWVDRUVLQD-UHFFFAOYSA-N 441.236 5.390 30 10 IKEE N#Cc1ccccc1NC1=C(c2ccc(Cl)c(Cl)c2)C(=O)N(Cc2ccccc2)C1=O 1863287577 BMCVTSFEPNGBLS-UHFFFAOYSA-N 448.309 5.257 30 10 IKEE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1ccc(OCC#N)cc1 1865939879 RCCAUQKNHHZTRQ-UHFFFAOYSA-N 440.908 5.400 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(Cl)c(Cl)c1 1866029711 CJLYOHZLPQNKGN-UHFFFAOYSA-N 428.488 9.193 30 10 IKEE C[C@@H](CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(C#N)cc1)c1ccc(Cl)cc1 1866717275 WAVCVKGDZGBDRJ-MHECFPHRSA-N 445.950 5.071 30 10 IKEE CCCCCCCOc1cn(CCCOCC)c(CNc2ccc(C)c(F)c2)cc1=O 1870830439 OTENAJCYVHUSQO-UHFFFAOYSA-N 432.580 5.684 30 10 IKEE C=CCn1cc(OCCCOc2ccccc2)c(=O)cc1CNc1cccc(Cl)c1C 1871085509 WTDACUDFEJSFKG-UHFFFAOYSA-N 438.955 5.456 30 10 IKEE CCCCCCCCCCn1cc(OCCC)c(=O)cc1CNc1ccc(C)cc1C 1871105948 IEMPXGQWYWQIKI-UHFFFAOYSA-N 426.645 7.007 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O)c1cc(Cl)ccc1Cl 1871381395 SCCKSGDWBYEACN-UKWGHVSLSA-N 429.230 5.968 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(C)c2)C3=O)c(OCC)c1 1871387076 XQLAGHDCYRJWCC-QFEZKATASA-N 444.483 5.628 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccc(C)cc4)c3C)C2=O)cc1 1871405064 BMYRBRGRZFZCLD-LIAPLOTISA-N 441.527 5.888 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1 1871408310 RGFMHMCAQYQVAX-QHSFOXILSA-N 427.500 5.634 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc5ccccc5c4)cc(C)c3C2=O)cc1 1871419175 CHNJFXLREDQNOH-WGARJPEWSA-N 449.506 6.090 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCc4c(Cl)ccc(Cl)c4Cl)cc(C)c3C2=O)o1 1871428387 YUFINGWVCOHSAK-UWVJOHFNSA-N 449.717 7.052 30 10 IKEE Cc1c(O[C@@H](C)C(=O)Nc2ccc(C#N)cc2)ccc2c1O/C(=C\c1ccc(F)cc1)C2=O 1871436443 ZBDGDCBYYHFRBU-YOBACFSGSA-N 442.446 5.028 30 10 IKEE CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2)C3=O)cc1 1871448185 HSNWLIMRSKUIHY-YNJLWJOVSA-N 441.483 5.220 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccccc4CC)c3C)C2=O)cc1 1871459231 MITKNDOMRHUNQZ-XYGWBWBKSA-N 441.527 5.754 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(C(F)(F)F)cc2)[nH]c(N2CCCC2)n1 1871683597 QEEMGLGYSCUWAU-UHFFFAOYSA-N 436.526 5.429 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[C@H](C)CC)S(=O)(=O)c1cccs1 1872027090 ZGYKMWGWPDFQSF-DYESRHJHSA-N 448.654 5.276 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[C@@H](C)CC)S(=O)(=O)CCCC 1872372408 SVSMQVVBWNGBAW-QFBILLFUSA-N 448.551 5.067 30 10 IKEE C=CCN([C@H](CC)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1872451171 VPQGXOMMRMDHIQ-OAQYLSRUSA-N 434.989 5.057 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NS(=O)(=O)c1c(C)cc(C)cc1C 1872613158 MJQWKIOOBGNLOD-JOCHJYFZSA-N 438.678 5.316 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3cc(OC)ccc3OC)n2)cc1 1872765012 DXWYICIYVDNZSA-UFSNDUKISA-N 446.572 6.060 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(C(=O)OC)cc3)n2)cc1 1872769948 DTSQYRUFXBDIPJ-JJMMYFGJSA-N 446.528 5.275 30 10 IKEE N#C[C@@H](C(=O)/C=C/c1ccc(Cl)c(Cl)c1)c1nc(-c2cccc3ccccc23)cs1 1872775007 ILHCOOHEYVKGIM-JARZOMNASA-N 449.362 7.160 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccccc3C(C)C)n2)cc1F 1872775375 PCNSFYGNQPJGBR-QAPCUYQASA-N 438.524 5.725 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@@H](C#N)C(=O)c2ccc(-c3ccccc3)cc2)n1 1872780531 JILLOMZGAFKYIY-QHCPKHFHSA-N 438.552 6.593 30 10 IKEE COc1c(Cl)cc(-c2csc([C@H](C#N)C(=O)Cc3ccccc3F)n2)cc1Cl 1872785740 VDCOUEPVKJUPLM-CYBMUJFWSA-N 435.307 5.684 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccc(Cl)cc3)n2)cc1C 1872787453 JZPSTHSHMGVXCQ-DNVCBOLYSA-N 440.952 5.733 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H](CC)CCCCC)=C(c2ccc(C)c(C)c2)C1=O 1873141364 VXHWPJYGVSFMNF-XMMPIXPASA-N 440.672 6.692 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1cccc2[nH]ccc12 1873501064 RIEVMDBJGVZATG-BRJLIKDPSA-N 427.936 5.679 30 10 IKEE Sc1nnc(C2CCCCC2)n1/N=C/c1cccc(OCc2cccc(Cl)c2)c1 1873502362 IUWFRWYAYCFXMD-ZVHZXABRSA-N 426.973 5.729 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)cc2c(NCc3ccc(F)cc3)ncnc21 1873611452 AYSOQVKVTRSREX-UHFFFAOYSA-N 429.499 5.238 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1cccc(OC)c1)n2CCC 1873620011 RHIWHKQSPWHTJD-UHFFFAOYSA-N 437.588 5.875 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(F)c2)cc2c(NCc3ccc(Cl)cc3)ncnc21 1873637885 RVBVTIHHZAPYKH-UHFFFAOYSA-N 435.890 5.274 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccccc3OC(C)C)c(=O)oc2c1C 1873925208 VTLAMCRLAUTFDQ-UHFFFAOYSA-N 435.520 5.333 30 10 IKEE CCCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1cc(C)ccc1O 1874217952 NSPUDRYVIOVUDA-WYMPLXKRSA-N 444.988 5.526 30 10 IKEE Cc1ccc(/C=N/n2c(Cc3ccc(C)cc3)nnc2SCc2ccc(C)cc2)cc1 1874386288 IICKMCTWKFSJOA-WPWMEQJKSA-N 426.589 5.969 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccccc1F 1874393837 BOCKVRJUNGFREM-VSWHYLHOSA-N 434.515 5.883 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCC)nnc2[C@H](C)c2ccccc2)cc1OC 1874396538 KKYGLDQQOSXEJX-UPMNJHNBSA-N 438.597 5.612 30 10 IKEE Fc1cccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2ccc(Cl)cc2)c1 1874417783 SLEGWQCNESPMDV-CVKSISIWSA-N 436.943 5.836 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2cccs2)cc1 1874421297 FHRSKQIACCVBDY-OEAKJJBVSA-N 449.561 5.652 30 10 IKEE COc1ccc(OC)c(/C=N/n2c(SCc3ccccc3)nnc2-c2cccs2)c1 1874422354 HUWDRFUWWMJZIO-OEAKJJBVSA-N 436.562 5.198 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3ccccc3F)nnc2[C@@H]2CCCO2)cc1 1874446042 RHMRODDWKWQCGA-XAOCGEIJSA-N 440.544 5.232 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1/N=C/c1ccc(C)cc1 1874475228 PRNFNWWYNUDTEX-MFKUBSTISA-N 435.597 5.159 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(SCc2ccc(F)cc2)nnc1C(C)C 1874509936 COIVQMWYXCNGCP-VULFUBBASA-N 434.540 5.877 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1cccc(OC)c1OC 1874510665 UQCYGWMZMCPWEN-YDZHTSKRSA-N 430.961 5.076 30 10 IKEE CCCOc1c(/C=N/n2c(SCCc3ccccc3)nnc2C(C)C)cccc1OC 1874514075 GGAFBKOQDMUWQL-KOEQRZSOSA-N 438.597 5.416 30 10 IKEE CCc1nnc(SCc2cccc(C)c2)n1/N=C/c1cc(Br)ccc1F 1874524516 RLAYLBMKQABLHW-SSDVNMTOSA-N 433.350 5.225 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc3ccccc3c2)c1OCC(=O)Nc1nccs1 1874571510 RDLMQJKMEYLYTK-VAWYXSNFSA-N 444.512 5.219 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(OC)c(C)c1 1874573806 GDIQNYKODIUJLV-JXMROGBWSA-N 443.971 5.581 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)cc2C)cc1 1874575873 LGBMGFWRDGBHMY-KPKJPENVSA-N 449.934 5.879 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(C)cc2C)c1OCC(=O)OCC(C)C 1874578714 CPTOQXUOSSKTFQ-VQHVLOKHSA-N 430.928 5.440 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12 1874581170 AGTUNPZPHDKXLW-BUHFOSPRSA-N 442.942 7.285 30 10 IKEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1ccc2c(c1)OCCO2)Nc1ccccc1 1874581828 IGXOJVIKDTXEJH-RMKNXTFCSA-N 449.890 5.025 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 1874584972 KIOZHRUTMUMAJR-RUDMXATFSA-N 429.806 6.002 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2cc(C)ccc2C)cc1Cl 1874591025 OXRDDCBQTDVSLA-ZRDIBKRKSA-N 436.935 6.449 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)cc1 1874606298 GZBZJRUCCKEVNA-LDADJPATSA-N 441.571 6.560 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3ccc(C)cc3)c(OC)c2)c(OC)c1 1874632644 NOTFLMPHLIMWST-JLHYYAGUSA-N 448.515 5.505 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)ccc1OCCCO 1874637152 KZAYHCOSISNTMB-FNORWQNLSA-N 425.308 5.058 30 10 IKEE CCCCCCC(=O)Oc1cc(/C=C/C(=O)c2cccc(Br)c2)ccc1OC 1874697517 BJWHMKDEKYWECI-ACCUITESSA-N 445.353 6.230 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(Br)cc2)c1)c1ccc(F)c(F)c1 1874710486 BTHYSIZETZLCBG-NYYWCZLTSA-N 443.243 5.843 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OC(=O)Cc1ccc(Cl)cc1 1874716182 GBFIQIDKFSRRIU-YRNVUSSQSA-N 448.946 6.318 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(F)cc2)CSc2nnc(C(F)(F)F)n21 1874917905 MYHUHLBRAJWBMN-INIZCTEOSA-N 444.498 5.498 30 10 IKEE CCCCCCCCC(=O)N1[C@H](C(C)(C)C)CSc2nnc([C@H](C)c3ccccc3)n21 1874980961 AMIWDTDQKYDNTA-CTNGQTDRSA-N 442.673 6.166 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3Cl)c(Cl)c2)c1 1875102275 FBEUQGMLGGNAFW-PKNBQFBNSA-N 427.283 6.117 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)CC(C)C)c(OC)c2)cc1 1875105973 VYBOISFPOUAKJY-JLHYYAGUSA-N 428.956 6.539 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(OC)ccc3OC)cc2)c1 1875145589 OBUSJJJIVRVFBY-GXDHUFHOSA-N 432.472 5.218 30 10 IKEE COCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1Br 1875155710 QHKMCXUIYIXXEH-ONNFQVAWSA-N 431.326 5.411 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1ccc(C)c(C)c1 1875176555 JVUXZJMCYMWEQC-UKTHLTGXSA-N 428.528 6.434 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc(Cl)c1OC(=O)C(C)C 1875182174 QCOYTSKGCDPVFH-VOTSOKGWSA-N 437.319 5.777 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)c(C)c1 1875182639 NCLGETLWEBJRJQ-AWNIVKPZSA-N 449.344 6.490 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Br)c1OC(C)=O 1875183930 ZSEQSHUKSCWUHL-BQYQJAHWSA-N 431.326 5.594 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)COCc1ccccc1 1875184960 ZBMUKHWDERLHAD-ZRDIBKRKSA-N 444.527 5.639 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)c1ccc(C)cc1 1875191208 WLQBAICYPDMVGV-VZUCSPMQSA-N 441.310 6.426 30 10 IKEE CC#CCCCC[C@H](N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1885370404 PDCLBSYCVFCDJL-WNJJXGMVSA-N 443.587 5.789 30 10 IKEE CC1(C)CC[C@@H](Nc2ccc(C#N)cc2Br)[C@@H](CNC(=O)OC(C)(C)C)C1 1927072037 XBKKNRSVOZYBJA-NVXWUHKLSA-N 436.394 5.452 30 10 IKEE CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 1941062121 RSUQBSDHCVTWQK-JPYJTQIMSA-N 435.540 5.399 30 10 IKEE CCCCCCCC[C@@H](NCCC)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1946537101 AXRAYCOPHILFBB-RPWUZVMVSA-N 434.665 6.215 30 10 IKEE N#Cc1ccccc1[C@@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 1951682396 YHJVPDCRMMJUOG-XMMPIXPASA-N 426.472 5.003 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1ccc(N(C)C(=O)OC(C)(C)C)nc1 2014236507 ZODPIMOUKHHTFX-HSZRJFAPSA-N 425.573 5.267 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CCC[C@@]2(C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)C1 2032060381 NWVBMABXNWCIIY-NNPDTBDGSA-N 447.620 5.486 30 10 IKEE C=CCN(CC[C@@H](NCCC)c1scc(Br)c1C)C(=O)OC(C)(C)C 2037963739 XQVSCWHEDUUSHT-MRXNPFEDSA-N 431.440 5.673 30 10 IKEE Cc1ccc([C@H](n2nc(C3CC3)c(C#N)c2I)C2(C)CC2)cc1F 2079102283 NAYDJCWWGFHKAU-KRWDZBQOSA-N 435.284 5.074 30 10 IKEE CC(C)c1ccc([C@@H](n2nc(C(C)(C)C)c(C=NO)c2Br)C2(C)CC2)cc1 2079980782 JJSDIZULXCGQCW-LJQANCHMSA-N 432.406 6.264 30 10 IKEE CN(Cc1cc(Cl)ccc1Br)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2154467782 ZYEGLSJAQTZABG-UHFFFAOYSA-N 436.586 5.038 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1cc(OC)c(OC)cc1Br 2164264792 LGAARTNEKQVIDR-JOCHJYFZSA-N 434.374 5.280 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@@H](Nc3ccc(C#N)cc3Br)C[C@@H]21 2166974556 DZYSJWNDRFFPOK-MDZRGWNJSA-N 434.378 5.301 30 10 IKEE CC1(C)CCC[C@@H]([C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)C1 2168592811 RCCIDWDKNFHFBU-OPAMFIHVSA-N 435.406 6.689 30 10 IKEE C=CCCCCCCC[C@H](NC)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2214624610 UVACHSMHFVXVET-BJKOFHAPSA-N 431.665 5.516 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)CC 2235720431 PITCJIJAZROPBH-UXPWSPDFSA-N 437.422 5.108 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)CN(C(=O)OC(C)(C)C)[C@H](C)CC 2235721147 APUAHJMNQXCKBE-MJGOQNOKSA-N 437.422 5.204 30 10 IKEE C=C(C)CCCC[C@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2250186280 YMJWMTIBEDXLQW-NHTMILBNSA-N 432.649 5.990 30 10 IKEE C=C(COCc1ccccc1)[C@@](C)(OCC(=O)O)c1ccc(NC(=O)OC(C)(C)C)cc1 2261979209 XNYBTWAVYCPBDZ-RUZDIDTESA-N 441.524 5.123 30 10 IKEE C=C(COCc1ccccc1)[C@@]1(OCCCN)CCC(F)(F)C[C@@H]1OCc1ccccc1 2262618293 GOUYTGNEPSMWNJ-AHWVRZQESA-N 445.550 5.268 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cccc(Cl)c1Br 2272013745 KNWSMHCHCBHIAI-FUHWJXTLSA-N 445.829 6.003 30 10 IKEE CCOc1ccc(C(=O)C(=Cc2ccc(OC)c(OC)c2)c2nc3ccccc3s2)cc1 2296699070 GCEVMCSEUDKBBE-UHFFFAOYSA-N 445.540 6.136 30 10 IKEE CCc1ccccc1N=C1SC(=Cc2ccc(O)cc2)C(=O)N1c1ccccc1CC 2296826731 JZPDBACNEOGMFU-UHFFFAOYSA-N 428.557 6.326 30 10 IKEE COc1ccccc1C=CC(=O)c1ccc2c3c(cccc13)C(=O)N(c1ccccc1)C2=O 2297449462 DGBLIWLOEONNDJ-UHFFFAOYSA-N 433.463 5.545 30 10 IKEE O=c1c2ccccc2nc(-c2ccccc2)n1N=CC(Br)=Cc1ccccc1 2297532485 HGYLTINOWWQHLB-UHFFFAOYSA-N 430.305 5.333 30 10 IKEE Cc1csc(N=C2SC(=Cc3ccc(N(C)C)cc3)C(=O)N2C2CCCCC2)n1 2314543715 KZZNTMHZCHYOOH-UHFFFAOYSA-N 426.611 5.454 30 10 IKEE CCCCOc1ccc(C=C2SC(=Nc3ccc(CCCC)cc3)NC2=O)cc1OC 2314557449 HHDNBGAHFIOCGF-UHFFFAOYSA-N 438.593 6.108 30 10 IKEE CC[C@@]1(C)N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2315231325 LNSQDKHBVPBNOO-RPWUZVMVSA-N 447.551 5.639 30 10 IKEE C[C@@H]1CC(C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Br)C[C@@H](C)S1 2317652782 QSMOFTICKAECDI-ZIAGYGMSSA-N 425.392 5.757 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C)n2N=Cc2ccc(Cl)cc2Cl)cc1C 2321086166 WRTZFUYOSRRNAM-UHFFFAOYSA-N 448.379 5.123 30 10 IKEE CC(C)[C@@H]1C[C@@H](Nc2cc(Br)ccc2C#N)CN1C(=O)OCc1ccccc1 2321253446 QSUBRELURLHOEW-CTNGQTDRSA-N 442.357 5.168 30 10 IKEE Sc1nnc([C@H]2CCCO2)n1N=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 2321935003 IKNJFUDJFQZZHD-GOSISDBHSA-N 449.363 5.186 30 10 IKEE O=C1C(=Cc2ccccc2Cl)Oc2c1ccc1c2CN(Cc2ccc(Cl)cc2)CO1 2321955348 VENOQRRXHQOQPJ-UHFFFAOYSA-N 438.310 5.962 30 10 IKEE COc1ccc([C@H](C)N2COc3ccc4c(c3C2)OC(=Cc2ccccc2)C4=O)cc1OC 2322260353 BQZBGZZULVZMGK-KRWDZBQOSA-N 443.499 5.233 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCc3ccccc3C)ccc3ccccc23)cc1OC 2322348141 LGIALXIMVZVLDG-UHFFFAOYSA-N 438.523 6.641 30 10 IKEE O=C(COc1ccccc1C=CC(=O)c1ccc(Cl)cc1Cl)Nc1ccc(F)cc1 2322379328 YPFBLZAWMDNCAC-UHFFFAOYSA-N 444.289 6.046 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(C)cc2)c1OCc1cccc(Cl)c1 2322593576 LPKRGOOHOWQIGL-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OC(=O)c4cccnc4)cc(C)c3C2=O)cc1 2322810051 FQHPPRBJXCEZEH-UHFFFAOYSA-N 428.488 5.072 30 10 IKEE Cc1cc(OC(=O)C(Cl)(Cl)Cl)cc2c1C(=O)C(=Cc1ccc(Cl)cc1)O2 2323035022 LHJSMIWSRKFZGN-UHFFFAOYSA-N 432.086 5.540 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1OC 2323060091 HEFKONJJZBBMAR-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE CCCN(CCC)C(=O)COc1cc(C=CC(=O)c2ccccc2Cl)ccc1OC 2323087233 ZOCFFZGQIOZPLN-UHFFFAOYSA-N 429.944 5.272 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc3C2=O)c1 2323318075 WRZCQCOANDAENR-UHFFFAOYSA-N 432.859 5.584 30 10 IKEE COc1ccccc1C=C1Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc2C1=O 2323318308 BLEXBKSGRIUARY-UHFFFAOYSA-N 432.859 5.584 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3c(C)cccc3C)c(OC)c2)cc1 2323485382 YXTOGMOZPXHJRS-UHFFFAOYSA-N 443.543 5.788 30 10 IKEE Cc1cc(OC(=O)C=Cc2ccc(C(C)C)cc2)cc2c1C(=O)C(=Cc1cccnc1)O2 2323503289 GOCLZEZQHGKPSU-UHFFFAOYSA-N 425.484 5.748 30 10 IKEE CCOc1cc(C=NNc2nc(-c3ccccc3OC)cs2)cc(Br)c1O 2323840356 QTSCYCSSLNFPMX-UHFFFAOYSA-N 448.342 5.132 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(OC)cc2)C3=O)c1 2323852707 UWOIKPYBHIZTDA-UHFFFAOYSA-N 428.440 5.095 30 10 IKEE C=C(C)COc1c(OC)cc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)cc1OC 2324324994 LNULHHSGXTYVBG-UHFFFAOYSA-N 437.319 5.870 30 10 IKEE N#C[C@@H](C(=O)C=Cc1cccc(Cl)c1)c1nc(-c2cccc(Br)c2)cs1 2324434193 CCFFYLKPYPIOOH-KRWDZBQOSA-N 443.753 6.116 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1)Nc1ccccc1F 2324651666 WALWOCIDQIDWHR-UHFFFAOYSA-N 444.289 6.046 30 10 IKEE CCc1ccc(NC(=O)[C@H](CC)Oc2ccc3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1 2324816697 NGSAFJZCGMRQBK-QHCPKHFHSA-N 445.490 5.800 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccccc1F)C2=O 2325005386 RSJZRLJHORNPCZ-UHFFFAOYSA-N 445.490 5.639 30 10 IKEE CC(=O)c1cccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccc(C)cc2)C3=O)c1 2325384918 UUYVUMRAQINLDA-UHFFFAOYSA-N 441.483 5.140 30 10 IKEE CCCOc1ccccc1C=Nn1c(CCC)nnc1SCc1ccc([N+](=O)[O-])cc1 2325552375 WTYONEGMJDGPKY-UHFFFAOYSA-N 439.541 5.102 30 10 IKEE CCCCCCOc1ccc(NC(=O)C(=O)C=Cc2ccc(F)c(Br)c2)cc1 2325610242 FNVYYBWCFPFTPH-UHFFFAOYSA-N 448.332 5.768 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1OC(=O)c1ccc(F)cc1 2325736685 ZSUHRDKUZJXTQC-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OC(=O)Cc1ccc(Cl)cc1 2325759690 ZYTNFRJUZRYMFQ-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE C=C(C)CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccncc1 2326130501 TVCVLASTZVUEQM-UHFFFAOYSA-N 427.961 5.073 30 10 IKEE CCCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccc(O)cc1 2326145919 HRQCRCWBRAAGAP-UHFFFAOYSA-N 430.961 5.217 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(OC)c(OC)c1Cl 2326251910 UCRKCFNWRRDLCJ-UHFFFAOYSA-N 448.951 5.215 30 10 IKEE C=C(C)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1cccc2ccccc12 2327861011 JXQMVRAHWNGJSF-FQEVSTJZSA-N 447.608 5.096 30 10 IKEE CCCSc1nnc(CCc2cccs2)n1N=Cc1cccc(Br)c1 2329674552 WSWNAOIAZPLZDS-UHFFFAOYSA-N 435.416 5.272 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccccc3)n2N=Cc2cccc(O)c2)c1 2329889306 UMZGUVVNPRWZJK-UHFFFAOYSA-N 430.533 5.046 30 10 IKEE Fc1cccc(C=Nn2c(CC3CCCCC3)nnc2SCc2cccc(Cl)c2)c1 2330290072 OMHQLUMTXKFNRK-UHFFFAOYSA-N 442.991 6.368 30 10 IKEE CC(C)(C)C(=O)Oc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1Br 2330627819 ZVIZTNYIJKKWHJ-UHFFFAOYSA-N 432.270 5.205 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 2330684945 OGRUAKAUUOWZIR-UHFFFAOYSA-N 445.446 5.728 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Br)c(OC(=O)C3CC3)c(OC)c2)cc1 2330761873 KUXMUYRMVWCFNG-UHFFFAOYSA-N 429.310 5.232 30 10 IKEE Cc1cccc(C=Nn2c(CC(C)(C)C)nnc2SCC(=O)N[C@H](C)c2ccccc2)c1 2330875479 DQUQGKOJMSARBT-LJQANCHMSA-N 449.624 5.027 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCOc3ccccc3)c(OC)c2)cc1C 2330880952 IIKUYQVJKWQVDR-UHFFFAOYSA-N 446.499 5.283 30 10 IKEE Oc1cccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2[C@H]2CCCO2)c1 2330999150 HNELHYBVIXYKJD-GOSISDBHSA-N 449.363 5.317 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2C2CCCC2)c(OC)c1 2331031705 RWLUFQYZHYBKRS-UHFFFAOYSA-N 440.544 5.267 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OC(=O)Cc1ccc(Cl)cc1 2331106191 YGCGPHYKNZELRB-UHFFFAOYSA-N 442.845 5.671 30 10 IKEE Cc1nc2ccc(C(=O)Oc3ccc(C=CC(=O)c4ccc(Cl)cc4)cc3)cc2nc1C 2331138429 KWVDEDJCYJXYNG-UHFFFAOYSA-N 442.902 6.015 30 10 IKEE COc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C(F)(F)F)cc1 2331164148 HLRQDURETMKCEM-UHFFFAOYSA-N 444.841 5.273 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3OC)c(OCC)c2)cc1 2331208268 FYPYGMWOAGHYSC-UHFFFAOYSA-N 446.499 5.608 30 10 IKEE Oc1ccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2-c2ccco2)cc1 2331216513 JPMXXIAMIJOOKO-UHFFFAOYSA-N 445.331 5.725 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3sccc3C)c(Cl)c2)cc1 2331301052 PXIQRPGRDNNMKK-UHFFFAOYSA-N 440.948 6.614 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3C)c([N+](=O)[O-])c2)cc1 2331305489 IYEAJYOJRYCFLE-UHFFFAOYSA-N 445.471 5.807 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)cc(Cl)c1OC(=O)[C@H]1CCCO1 2331362872 WGGVJBBUZDLJJV-OAQYLSRUSA-N 444.911 5.036 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2Cl)cc1C 2331416236 YGWXSEGHTLISIW-UHFFFAOYSA-N 446.974 7.370 30 10 IKEE C=C(C)CSc1nnc(CC(C)C)n1N=Cc1ccc(OCc2ccc(C)cc2)cc1 2331452238 WMCFYVCQIFUEPU-UHFFFAOYSA-N 434.609 5.914 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)c3ccccc3)c(Cl)c2)cc1 2331494266 PLRQVZPSXZNKLB-IBGZPJMESA-N 432.947 7.069 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)cc3)c([N+](=O)[O-])c2)c(C)c1C 2331616574 UYVIYQSKNKVIOP-UHFFFAOYSA-N 445.471 5.644 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(SCc2ccc(F)cc2)nnc1C1CC1 2331727181 KXCMJYCITSBZJK-UHFFFAOYSA-N 432.524 5.631 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(Br)cc3)cc2)c(C)c1 2331764256 NCLGETLWEBJRJQ-UHFFFAOYSA-N 449.344 6.490 30 10 IKEE CC(C)[C@@H](Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)[C@@H](C)NC(=O)OC(C)(C)C 2339578446 HDJFFCJJVHBGAZ-YLJYHZDGSA-N 446.397 5.043 30 10 IKEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339579374 VGWIDWYBKFHLGO-JXOMPUQVSA-N 446.397 5.044 30 10 IKEE CC[C@@](C)(CCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339587845 ZYGISTOANRJBNH-DEOSSOPVSA-N 446.397 5.189 30 10 IKEE C=CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCc2ccccc2)cc1 2238790 XGPIGECSTYTVKQ-VWLOTQADSA-N 437.495 5.146 30 10 IKEE O=C1CCCC2=C1[C@H](c1cccs1)n1nc(SCc3ccc(Cl)cc3)nc1N2 9608550 NRXZLRQOWQBRAK-SFHVURJKSA-N 428.970 5.307 30 10 IKEE C=CCOc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1Br 14669301 DJTVXKULVJIIFI-UHFFFAOYSA-N 438.321 5.845 30 10 IKEE CCOc1ccc(/N=C2\S/C(=C\c3cc(C)n(-c4ccccc4)c3C)C(=O)N2CC)cc1 15009967 CETBOSDRFADZJF-HXNPFYCNSA-N 445.588 6.117 30 10 IKEE CCOc1ccc2nc(SCCC(=O)Nc3sc4c(c3C#N)CCCC4)sc2c1 20177690 UNEODLCNCUFCTP-UHFFFAOYSA-N 443.619 5.628 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OCC(C)C)cc2)C3)cc1 20885953 HTTOMADLMMCEBC-OFNKIYASSA-N 433.548 5.124 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(CC)cc2)C3)cc1OC 21255460 HZRVCPUDUCIBPF-RTWAWAEBSA-N 433.548 5.051 30 10 IKEE Cc1ccc(C(=O)/C=C\c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1 33395528 AXWIXMAJZRTHCP-TYZFGNCRSA-N 442.562 7.247 30 10 IKEE COc1cccc(/C=C(\C(=O)c2cc(OC)c(OC)c(OC)c2)c2nc3ccccc3o2)c1 33628991 XVPZVSNYEKASNZ-CPNJWEJPSA-N 445.471 5.286 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2Cc2ccccc2)cc1 33780236 DRQLKJYPUSEOMV-ZZVPLQECSA-N 439.511 5.263 30 10 IKEE CN(C)c1ccc(/C=C2\Oc3cc(OC(=O)c4cc5ccccc5o4)ccc3C2=O)cc1 41352744 OSDKRUDFXDPZFB-QRVIBDJDSA-N 425.440 5.334 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(ccc(OCc4ccccc4F)c3C)C2=O)cc1 62942285 RXZBITWEIPZEAY-XYGWBWBKSA-N 431.507 6.176 30 10 IKEE CCCCCCCCCC(=O)Nc1ccc([C@H]2SCC(=O)N2c2cccc(C)c2)cc1 98021563 OJFRVMAIXBHSEZ-AREMUKBSSA-N 438.637 6.853 30 10 IKEE CCCCCCCCCCCCCC(=O)Nc1ccccc1C(=O)NC1CCCCC1 100441894 FYNUMTVVBXUSLO-UHFFFAOYSA-N 428.661 7.389 30 10 IKEE CCCCCCCOc1ccc(C(=O)c2c(C)c(C#N)c(=O)n(CCCCC)c2O)cc1 101346596 CJMJNSJUZYVSTK-UHFFFAOYSA-N 438.568 5.504 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1Cl 108416640 KLCQNPUAIYTIFT-INIZCTEOSA-N 435.911 5.238 30 10 IKEE CC(=O)Oc1cc(O[C@H](C)CCCc2ccccc2)cc2c1C1=CC(=O)CC[C@H]1[C@H](C)N2 149509462 NYIHATUYGXLEST-STSQHVNTSA-N 433.548 5.579 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(OC)cc2)cc1 169923374 PTVANHOLWFVCJS-XMMPIXPASA-N 427.500 5.349 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccc(C)c(C)c2)cc1 169924188 ITOKTZXZTXNPMO-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C)c(C)c2)cc1 169924231 GYNQUADUTDCHKL-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(O)cc2)c1 169964975 PCLUWVNXDXTBAG-QHCPKHFHSA-N 447.918 5.441 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2cccc(C)c2)c1 169966083 ULDJHDWBNZJTLJ-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(C)c1 169970541 BYBWQLPLBCXNFX-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2ccc(OC)cc2)=C(N2CCC[C@H](C)C2)C1=O 170029874 QRPYGUOIPIWHTQ-NRFANRHFSA-N 440.628 5.648 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(OCC)cc2)cc1 170031791 VRJPTLADKPIMMV-DEOSSOPVSA-N 449.547 5.395 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2cccc3ccccc23)cc1C 170044556 UPCOCWQVMKRXFG-SQJMNOBHSA-N 441.527 5.214 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2F)cc1C 170070059 JVDBOOUVQUFNHX-JOCHJYFZSA-N 435.882 5.879 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccco2)cc1 170090783 PXXAWNISLQKTLH-OAQYLSRUSA-N 446.459 5.268 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2ccco2)s1 170094103 RYGANKIBHULXFI-INIZCTEOSA-N 448.422 5.155 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(O)cc2)cc1 170130361 OHKZXOPQFSWFCT-QFIPXVFZSA-N 449.528 5.019 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@@H]1c1ccc(O)cc1 170137596 NFVMLNVOICFFDD-FQEVSTJZSA-N 443.927 5.131 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccs2)cc1C 170162585 CPALJMIRNSKEGZ-OAQYLSRUSA-N 437.517 5.217 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccccn2)cc1 170171779 PHHRKTCDQGGXBM-DEOSSOPVSA-N 436.467 5.026 30 10 IKEE Cc1nc(-c2ccccc2)sc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccccn1 170182254 JRHSKDHSAQHTCV-HXUWFJFHSA-N 445.544 5.034 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1cccc(OCC(C)C)c1 170219131 SVSWDWAEKPNOKA-MZNJEOGPSA-N 449.547 5.033 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2ccccc2)c1 170224143 XRURGBLMHLKKJU-DEOSSOPVSA-N 425.484 5.103 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2ccccc2)cc1 170227481 RTJSZGLYNLCQMZ-XMMPIXPASA-N 443.499 5.267 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1ccccc1)c1ccc2ccccc2c1 170229618 LSZFTUWYJGSJTH-XMMPIXPASA-N 441.433 5.901 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(F)cc2)cc1 170242345 DEHXVACEWGAUII-QHCPKHFHSA-N 437.511 5.524 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1cccc(O)c1)c1ccc2c(c1)CCCC2 170258109 VUXJBTGVAUFKEY-XMMPIXPASA-N 443.474 5.193 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1)c1cccs1 170421765 MMFMFHZIVYJUGL-FQEVSTJZSA-N 441.911 5.362 30 10 IKEE COc1ccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)cc1OC 170434097 VVAYSBOZGDNCFI-NRFANRHFSA-N 447.890 5.012 30 10 IKEE N#Cc1ccc(Nc2c(Br)cccc2Br)c(F)c1Br 232130116 MNRVKWPOXJUVRA-UHFFFAOYSA-N 448.915 5.728 30 10 IKEE CCCCCCCCCC[C@H](NC)c1cc(Br)sc1Br 232964785 JWSQJQQNMDRMRX-AWEZNQCLSA-N 425.274 7.064 30 10 IKEE C=C1SC(=Nc2c(C)cc(C)cc2C)N(C(=O)c2c(F)cccc2F)C12CCCCC2 254312191 GXVJCLPNPNYRIQ-UHFFFAOYSA-N 440.559 6.983 30 10 IKEE Cc1cc(/C=C2/SC(=Nc3ccccc3)N(C3CCCC3)C2=O)c(C)n1-c1ccccc1 254500724 ZXYDPQJUMBBESA-OFGWUVNBSA-N 441.600 6.641 30 10 IKEE Cc1nn(Cc2ccccc2)c(C)c1C=NNc1ncnc2scc(-c3ccccc3)c12 254788402 RQLSIHPOOCHSIE-UHFFFAOYSA-N 438.560 5.666 30 10 IKEE CC#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C[C@H](O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@]21C 504752429 AYNSZTKDERUHKJ-QDVCQSTPSA-N 431.620 5.198 30 10 IKEE biogenic CCCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(C)cc2)c1 526488435 ONMCFFRJFJESDT-SANMLTNESA-N 438.527 6.103 30 10 IKEE COc1cc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2cccc(C#N)c2)ccc1OC(C)C 526518436 YAVTYZCRCZFTLT-HSZRJFAPSA-N 446.528 5.473 30 10 IKEE CCCCCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccccc2)cc1OC 526799076 FBEVAUOASFSACK-UQQQWYQISA-N 438.597 5.593 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1c(C)n(C)c2ccccc12 526802151 DXXSOUJVPYKOED-YSMPRRRNSA-N 435.572 5.734 30 10 IKEE CCc1ccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2cccc(C)c2)cc1 526808892 QLRSNVXLAQYRBI-USHMODERSA-N 440.616 6.109 30 10 IKEE CCOc1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 586260081 KPEFEIOVELXYON-UHFFFAOYSA-N 426.925 5.006 30 10 IKEE C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc3ccccc3c1)C2=O 606630944 MZMAMZPVTPPOEE-BRWHYZJSSA-N 426.600 6.726 30 10 IKEE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@@H](C#N)c1ccc(Br)c(Cl)c1 698471446 MCCADCSBZPUDSG-BBRMVZONSA-N 429.742 5.083 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1ccc(O)c(Cl)c1 698488105 JGOOZFDHACZOOS-MRXNPFEDSA-N 437.721 5.814 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]([C@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)C1 698884524 LCOVBAHWDNCIOL-MWTRTKDXSA-N 449.979 5.621 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@H](C#N)c1ccc(Br)cc1Cl 698941621 DKQJKMPGQVJQKG-CQSZACIVSA-N 428.718 5.605 30 10 IKEE CCOc1cc(/C=C\C(=O)c2ccc(C(F)(F)F)nc2O)ccc1OCC(F)(F)F 731564994 XJICPQPSKAHLIA-UTCJRWHESA-N 435.320 5.042 30 10 IKEE Cc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(C#N)cc2)cc1 762441997 XIBDJXBJZWZPIT-UHFFFAOYSA-O 431.928 5.003 30 10 IKEE Cc1cc(O)ccc1N/C(=N/Cc1cc(Br)ccc1F)N1CCCC[C@H]1C 1088663398 XOOCMROLWFOJTB-OAHLLOKOSA-N 434.353 5.445 30 10 IKEE CC(/C=C1\S/C(=N\N=C/c2ccccc2F)N(Cc2ccco2)C1=O)=C\c1ccccc1 1554646375 GKGGPHXJSSIQFI-OFSQMATGSA-N 445.519 5.872 30 10 IKEE Cc1csc(N=C2S/C(=C\c3ccccc3[N+](=O)[O-])C(=O)N2C2CCCCC2)n1 1772736061 ICCMGDRGFDSVSE-GNYMFXGWSA-N 428.539 5.296 30 10 IKEE O=C(O)c1cccc(N=C2S/C(=C/c3c[nH]c4ccccc34)C(=O)N2C2CCCCC2)c1 1772738230 UYFRWGXXAFGOHH-KFEXUMGBSA-N 445.544 5.803 30 10 IKEE C=CCOC(=O)c1sc(NC(=O)c2c3c(nc4ccc(Cl)cc24)CCCC3)nc1C 1859644248 GIBWTGJEXNTSEJ-UHFFFAOYSA-N 441.940 5.127 30 10 IKEE Cc1sc(NC(=O)c2cc(C(C)C)nc3c(Br)cccc23)c(C#N)c1C 1859647559 WGCFIPYLIJOOGO-UHFFFAOYSA-N 428.355 5.923 30 10 IKEE O=C(/C=C/c1ccccc1Cl)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1 1860724906 OTOVEQNZQFLCBZ-VGOFMYFVSA-N 426.299 5.793 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(C(C)(C)C)cc2)n(-c2ccccc2Cl)n1 1862367266 ZKWUUCNKYRESPW-UHFFFAOYSA-N 433.983 6.304 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(F)cc1F 1862380651 ILOQZVVTGOUGSU-SFHVURJKSA-N 440.273 5.650 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C2CC2)cc1 1862380822 LYNHFCSAMSERCN-FQEVSTJZSA-N 430.331 5.858 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(Cl)cc2)[C@@H]1c1ccccc1)c1ccc(F)cc1F 1862412611 IVZOKUKEZFTLGW-OAQYLSRUSA-N 439.845 5.397 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862432177 YDDUWXUYPWQNNB-MWTRTKDXSA-N 447.918 5.688 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc(F)cc1F)c1ccccc1Cl 1862432436 DYZNHHNGBMMEJL-NRFANRHFSA-N 439.845 5.397 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccc2cc[nH]c2c1)c1cccc(Cl)c1 1862445649 APYLUKJPTAIUKF-QHCPKHFHSA-N 448.950 6.122 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc2ccccc12 1862450112 ZYUFTKIWQNALBG-HSZRJFAPSA-N 449.934 5.498 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(C(F)(F)F)cc1 1862468099 ZBXZWFWNBIXGJQ-QGZVFWFLSA-N 443.343 5.109 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccccc1C 1862489860 IXBKSTJMBJAPNU-DEOSSOPVSA-N 435.564 5.397 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccc(F)cc2)cc1 1862489963 LCGHCOSAZDWCAD-VWLOTQADSA-N 443.518 5.572 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)c1 1862501677 IGCGFCVFSRIPDF-PNDGYVOYSA-N 437.511 5.300 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCC2=CCCCC2)c1 1862507389 KFBKAEKSWQWSKD-XMMPIXPASA-N 433.523 5.911 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C2CCCC2)cc1 1862616630 CSRLJVRCWLUNFX-QHCPKHFHSA-N 433.548 5.514 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1c(Cl)cccc1Cl 1862633908 QXMRERASULJEEM-JEOXALJRSA-N 448.302 5.099 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2cccc(OC)c2)c1 1862702863 NXQAGSXCPQOAMM-XMMPIXPASA-N 447.531 5.173 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 1862749102 QLXDSKHCTWMLTC-NRFANRHFSA-N 438.455 5.035 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(F)cc2)C1=O 1862750566 CAOGFHDWHPMQCX-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(F)cc3Cl)C2=O)cc1 1862901365 KCMDZOPAZXJXSM-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE Cc1cc(C2=C(Nc3ccccc3Cl)C(=O)N(c3ccccc3C#N)C2=O)ccc1F 1863100493 QHMMYILHWYWORN-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(C(F)(F)F)cc2)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863284680 BMWLOGJEWXJLQU-UHFFFAOYSA-N 441.236 5.390 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(OC)cc2)C1=O 1863329888 ODLICYBNCIPWHK-NRFANRHFSA-N 431.536 5.118 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2OC(C)C)=C(c2cc(Cl)ccc2Cl)C1=O 1863385758 QNOSVZVXPAYESB-UHFFFAOYSA-N 431.319 5.159 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C)c(Cl)c2)=C(c2cccs2)C1=O 1863474859 PZBKYOPORDXHOL-UHFFFAOYSA-N 431.001 6.262 30 10 IKEE CCCCCCCCCCCC(=O)Nc1sc(-c2ccccc2)cc1C(=O)OCC 1865986253 RKXMVTIMNMNOEE-UHFFFAOYSA-N 429.626 7.451 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](CCCC)NC(=O)C[C@H](c1ccc(OC)c(C)c1)C(C)C 1868718110 ANAJLSVROANMIX-XZOQPEGZSA-N 428.617 5.009 30 10 IKEE C=CCc1ccccc1OC1CN(C(=O)/C(=C/c2ccc(OCC)cc2)c2ccccc2)C1 1869907254 YEKFMMTTYVZZFB-ZXVVBBHZSA-N 439.555 5.644 30 10 IKEE CCCCCCCCn1cc(OCC(=O)Nc2ccc(C(C)(C)C)cc2)c(=O)cc1C 1870097641 PTDCUDVNSPIYES-UHFFFAOYSA-N 426.601 5.832 30 10 IKEE CCCCCCCCn1cc(OCCCCCCC)c(=O)cc1CSc1nccn1C 1870251735 SUVLHXGEPIAONV-UHFFFAOYSA-N 447.689 6.584 30 10 IKEE C=CCOc1cn(CCC(C)C)c(CN(Cc2ccccc2)Cc2ccccc2)cc1=O 1870388184 LGOVWFJIJNMVNP-UHFFFAOYSA-N 430.592 5.662 30 10 IKEE CCCCCCCCn1cc(OCC)c(=O)cc1CNc1cc(C(C)C)cc(C(C)C)c1 1870788622 NYUONMXIEALSAR-UHFFFAOYSA-N 440.672 7.466 30 10 IKEE C=CCOc1cn(CCCCCCCC)c(CNc2cccc([N+](=O)[O-])c2C)cc1=O 1870812033 MRLJGLMAEHZKTB-UHFFFAOYSA-N 427.545 5.602 30 10 IKEE CCCCCCCCn1cc(OCCC)c(=O)cc1CNc1ccc(N(CC)CC)cc1 1871105149 JPXIODBNPFNEJP-UHFFFAOYSA-N 441.660 6.456 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)o1 1871275698 FNJNPZJURNNVDK-UHFFFAOYSA-N 425.978 5.636 30 10 IKEE COc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccccc2F)C4)cc1 1871346887 GRFBBQBAIHXTGU-FMCGGJTJSA-N 431.463 5.111 30 10 IKEE CCCCC[C@@H](CC)N1COc2ccc3c(c2C1)O/C(=C\c1ccc([N+](=O)[O-])cc1)C3=O 1871347525 FFYXTIPVWQPKAH-NLKUQUHMSA-N 436.508 5.722 30 10 IKEE Cc1cccc(CN2COc3c(cc4c(c3C)O/C(=C\c3cccc(Cl)c3)C4=O)C2)c1 1871359080 HVASXRIMTPSNKW-KSEXSDGBSA-N 431.919 5.925 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OC(=O)Cc4cc(Cl)ccc4Cl)ccc3C2=O)c1 1871376335 GBTLDSLOCXBKRT-YVNNLAQVSA-N 439.294 6.066 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccncc1)C2=O)/C(Br)=C/c1ccccc1 1871378377 KAALUDIZURAXTO-FEQHTUGKSA-N 448.272 5.039 30 10 IKEE Cc1cc(OC(=O)c2cccc(OCC(C)C)c2)cc2c1C(=O)/C(=C/c1ccncc1)O2 1871381637 ZYIJNSGAUOZGAR-FMCGGJTJSA-N 429.472 5.260 30 10 IKEE C=CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)c1 1871388914 OSABYJIWAYXWGE-QRVIBDJDSA-N 446.886 6.049 30 10 IKEE Cc1c(O[C@@H](C)C(=O)Nc2ccccc2Cl)ccc2c1O/C(=C\c1ccccc1)C2=O 1871407290 VFPRBPWCKUHOBB-VOMLJKFNSA-N 433.891 5.671 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871411147 LKGUVFFLEOIVPQ-ICODJCHTSA-N 431.488 5.481 30 10 IKEE CCCCCCCCCCN=c1nc(N2CCCCC2)[nH]c(=Nc2ccc(C)c(F)c2)[nH]1 1871581406 GGTQNQJMEOMZLJ-UHFFFAOYSA-N 442.627 5.449 30 10 IKEE COc1ccccc1-c1csc([C@H](C#N)C(=O)c2c(Cl)ccc(Cl)c2Cl)n1 1872767766 ZWLWQPIQDBEEMZ-LLVKDONJSA-N 437.735 6.269 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3cccc4ccccc34)n2)c2ccccc12 1872788230 XNOMRAQFOVHPIS-DEOSSOPVSA-N 448.547 6.544 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-n4cccc4)cc3)n2)c2ccccc12 1872788746 PKNKURWCQCDNTC-HSZRJFAPSA-N 449.535 6.253 30 10 IKEE O=C(Nc1cc(F)ccc1F)c1ccc(COc2c(F)c(F)c(F)c(F)c2F)cc1 1872865013 YLQUWHNQGDCKPW-UHFFFAOYSA-N 429.291 5.492 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(F)c(Cl)c2)cc2c(N(C)Cc3ccccc3)ncnc21 1873660156 COKQQUFWSNLASY-UHFFFAOYSA-N 449.917 5.299 30 10 IKEE CCCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1/N=C/c1ccccc1 1874196054 QLMMXIHDYJSHJI-LGUFXXKBSA-N 436.625 5.972 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(CCCOc3ccccc3C)nnc2SC)cc1 1874248425 SSPPWMSTUVWJBW-XIEYBQDHSA-N 437.613 5.048 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2Cl)n1/N=C/c1cccc(OC)c1 1874266880 URKZRUQXDKKMBS-FSJBWODESA-N 428.945 5.070 30 10 IKEE CCSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874319408 PSKLUAOTPQWQTJ-SSDVNMTOSA-N 445.932 5.030 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3F)n2/N=C/c2ccccn2)cc1C 1874320864 NSTKTUHSPNLULC-MZJWZYIUSA-N 447.539 5.183 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3C)n2/N=C/c2ccccc2O)cc1 1874359992 JMRKXKZNHKGXHS-WPWMEQJKSA-N 442.588 5.560 30 10 IKEE Clc1cccc(CSc2nnc(CCc3cccs3)n2/N=C/c2ccccn2)c1 1874373961 AIAIPZHSOCWBEK-ZVHZXABRSA-N 439.997 5.348 30 10 IKEE C=C(C)CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1ccc(Cl)cc1Cl 1874395391 LLJYMVLVBQFZBD-ZWGXDWAISA-N 431.392 6.287 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccccc3)n2/N=C/c2cc(Cl)ccc2O)c1 1874428513 MJYGEJVWXJBNPA-VULFUBBASA-N 448.979 6.095 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(CC(C)(C)C)n2/N=C/c2ccccc2C)c1 1874437313 UTBQSRUVIBZERA-MFKUBSTISA-N 435.597 5.097 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(Cl)cc1 1874440069 HRUXNUZTTRBEOJ-JVWAILMASA-N 449.023 6.848 30 10 IKEE FC(F)(F)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccncc1 1874462979 NXKTZNURYBQOQQ-LIMNOBDPSA-N 432.258 5.173 30 10 IKEE CC(C)c1nnc(SCCc2ccccc2)n1/N=C/c1cc(Br)ccc1F 1874514137 JPECLDOCFCBBAN-YDZHTSKRSA-N 447.377 5.520 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C(C)C)cc1 1874517123 LRAPUUKOPZIYRQ-WYMPLXKRSA-N 449.407 6.282 30 10 IKEE CCCSc1nnc(C2CC2)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874521033 XUASOQZGXZMRLJ-ZVHZXABRSA-N 426.973 5.772 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc(N(CC)CC)cc1 1874527371 LIAPETJHMFZEDC-BUVRLJJBSA-N 428.005 5.515 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(OC)c(F)c1 1874582341 JIWSNDIRQBMZHZ-RMKNXTFCSA-N 447.934 5.411 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccccc1OCc1cccc(F)c1 1874586510 QMYMCFUFTKVSCM-MDZDMXLPSA-N 431.290 6.616 30 10 IKEE CCCOC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1cc(C(C)(C)C)ccc1C 1874590422 KTNPUEBNPLJJJP-DHZHZOJOSA-N 428.956 6.174 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2cc(Br)ccc2OCCO)cc1Cl 1874590721 SAKFOKBXIXZMRB-DUXPYHPUSA-N 446.124 5.032 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3)c([N+](=O)[O-])c2)cc1 1874604721 BSQHBJVUKRRSLI-GXDHUFHOSA-N 430.460 5.071 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OCC(=O)Nc1ccccc1F 1874618495 DHGGCBVRQKLDIA-ZRDIBKRKSA-N 433.479 5.365 30 10 IKEE C=CCOc1c(OCC)cc(/C=C/C(=O)c2cc(OCC)ccc2OCC)cc1[N+](=O)[O-] 1874630435 WZJHCIFHEJYMKF-PKNBQFBNSA-N 441.480 5.252 30 10 IKEE C=C(C)COc1c(Cl)cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1OCC 1874638174 LIJQOQGQVWFQHD-VMPITWQZSA-N 425.739 6.897 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)cc2F)cc1)c1ccc(-c2ccccc2)cc1 1875080043 APAMOZUNDWTZHS-CAOOACKPSA-N 440.445 6.747 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc(OC)c3)cc2[N+](=O)[O-])cc1 1875102507 UPTOISZOZYQUPA-NTUHNPAUSA-N 447.443 5.117 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)ccc1OC(=O)c1ccc(CC)cc1 1875103403 XRYNZQVJHWNKOZ-GZTJUZNOSA-N 428.528 6.325 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccc(C)cc1 1875105607 DFRBFONXADCZRN-VZUCSPMQSA-N 441.310 6.426 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCSC)c(OCC)c2)cc1 1875108137 ZIRMIXPQUPBNJW-FOWTUZBSSA-N 440.605 6.373 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@@H]2CCCO2)c(Cl)c1)c1ccc(Br)cc1 1875109740 CHKXNYVQABGURE-VZJZHNIPSA-N 435.701 5.083 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC(=O)c1cccc(Cl)c1 1875122752 KWZBVLBPGACFAW-CSKARUKUSA-N 427.283 6.117 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC(C)(C)C)cc2)cc1OCCC 1875124419 ZWIWAPFKNDJPDC-GXDHUFHOSA-N 438.564 6.502 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC34CC5CC(CC(C5)C3)C4)c(Cl)c2)cc1 1875133106 FGTYPQOHIPRBCU-XBXARRHUSA-N 448.990 7.056 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc1 1875182266 UYKLXULUPMIADT-DTQAZKPQSA-N 442.983 7.209 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N1C[C@@H](C)O[C@H](C)C1)n2CC(C)C 1875209930 FYMUJYKFOODHMJ-WOJBJXKFSA-N 443.636 5.109 30 10 IKEE C=CCC[C@H](COc1cc(Br)ccc1C(F)(F)F)NC(=O)OC(C)(C)C 1903150769 AESMNPLXCCEJFX-CYBMUJFWSA-N 438.284 5.706 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@](O)(CC)c1cccc(Br)c1 1922112411 MOBCCYODRWELRT-DHIUTWEWSA-N 432.402 5.188 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1cc(NC(=O)OC(C)(C)C)c2ccccc2n1 1922126808 WHBSHJGSBBNFBT-VWLOTQADSA-N 447.579 6.005 30 10 IKEE C=CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1c(Br)cccc1Br 1931397086 AOQNPTQJGJNUNI-CYBMUJFWSA-N 430.140 5.199 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1978279974 PDMDOHRRHJEVFV-ZHRRBRCNSA-N 435.590 5.024 30 10 IKEE C=CCCCCC[C@@H](NC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997456300 QHXNBAHXCSJSNQ-ZEQKJWHPSA-N 430.633 5.555 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)C2=CCC(F)(F)CC2)C1 1999907552 LDOGTOZPYSARIO-HSZRJFAPSA-N 435.511 5.145 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)C1(NC(=O)OC(C)(C)C)CCC(C)(C)CC1 2023701134 CDQUSZZAONBPRF-JOCHJYFZSA-N 430.633 5.601 30 10 IKEE CC(C)N[C@](C#N)(CCCN(CCN(C)Cc1ccccc1)Cc1ccccc1)C(C)C 2034739261 JFOBNSZAJPESRD-NDEPHWFRSA-N 434.672 5.317 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCC[C@H]2OCc2ccccc2)cc1 2043762664 NBEWLIMCLVIGIA-ZEQKJWHPSA-N 436.552 5.858 30 10 IKEE C#CC(C)(C)C[C@@H](NCCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2048685114 VHXWEVHXKWJBBV-KCWPFWIISA-N 442.644 5.248 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 2074139761 VGAWJUOLJYEPIK-VWLOTQADSA-N 449.636 5.876 30 10 IKEE N#Cc1ccc(Oc2ncc(Br)cc2Br)c(Br)c1 2076639184 FAGMBZHKCKLOSR-UHFFFAOYSA-N 432.897 5.033 30 10 IKEE CC(C)c1ccc([C@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C(C)(C)C)cc1 2079955674 DUQUIWALSGVYRW-IBGZPJMESA-N 432.406 6.264 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Cl)cc(Br)c1 2081558956 CUTJFTUOPVSIIW-SJORKVTESA-N 431.802 5.613 30 10 IKEE C=CCC1(C(=O)Cc2ccc(Cl)c(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2110445105 CMDSBSJBEGKRSB-UHFFFAOYSA-N 446.744 5.166 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NC)c2c(Br)ccc(Cl)c2F)C1 2126684069 FGXPACZNJZMKDG-MRXNPFEDSA-N 447.776 5.363 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCCO[C@@H]1C(C)(C)C 2160256932 IRYUUODVPYTUDT-DYESRHJHSA-N 437.378 5.678 30 10 IKEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNc2ccc(C#N)c(Br)c2)cc1 2162318894 ULUWQXYFRCAZSI-CQSZACIVSA-N 430.346 5.519 30 10 IKEE CCC[C@]1(CNc2ccc(C#N)cc2Br)CCCCN1C(=O)OC(C)(C)C 2162409361 GKASTQBYBVFKAB-OAQYLSRUSA-N 436.394 5.693 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cccc(Cl)c1Br 2272006363 KNWSMHCHCBHIAI-FUHWJXTLSA-N 445.829 6.003 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)C1(C)CCN(Cc2ccccc2)CC1 2296223638 BXBGDYUFQUBTDP-HSZRJFAPSA-N 425.414 5.081 30 10 IKEE CN[C@H](C#Cc1cccc(Br)c1)c1cccc(F)c1NC(=O)OC(C)(C)C 2296266260 GDBAJOBQCCUVBP-GOSISDBHSA-N 433.321 5.247 30 10 IKEE CCN[C@@H](C#Cc1cccc(Br)c1)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C 2296279535 PYYFJWIKPSSAIB-OALUTQOASA-N 437.422 5.108 30 10 IKEE CC(C)CN(Cc1c(O)ccc2c1OC(=Cc1ccc(Cl)c(Cl)c1)C2=O)CC(C)C 2296595241 CYVBAAFCNYRZIR-UHFFFAOYSA-N 448.390 6.429 30 10 IKEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2cccc(Cl)c2)cc1 2297056929 AIPXHOOUQFXYBZ-LJQANCHMSA-N 438.936 5.348 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)SC1=S 2297303085 ZWWQNXGKAQKWCX-UHFFFAOYSA-N 431.966 5.315 30 10 IKEE O=C1NC(=Nc2ccccc2Cl)SC1=Cc1cccc(OCc2ccc(F)cc2)c1 2313507568 UVWMSPDMHUHSAG-UHFFFAOYSA-N 438.911 5.950 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(OCc2ccccc2)cc1 2314452859 RBPILMVPFYANTG-DQEYMECFSA-N 436.596 5.613 30 10 IKEE Cc1ccccc1C=C1SC(=NN=Cc2ccc([N+](=O)[O-])cc2)N(Cc2ccco2)C1=O 2314841384 XXBOMPNRPGYMIM-UHFFFAOYSA-N 446.488 5.003 30 10 IKEE N#Cc1nc(-c2ccccc2)oc1NN=Cc1ccccc1OCc1ccc(Cl)cc1 2320834002 WBTRIIQMODKQED-UHFFFAOYSA-N 428.879 5.892 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCc3nc(O)c4ccccc4n3)nnc2C2CC2)cc1 2320875265 QGJKYORNIAEIHP-UHFFFAOYSA-N 444.564 5.102 30 10 IKEE CCCSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1N=Cc1ccc[nH]1 2321371162 SIDDFJWKWULYEK-UHFFFAOYSA-N 438.384 5.309 30 10 IKEE COc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(C2CCCCC2)C4)cc1OC 2322016234 PFOLCKNMAAPSSE-UHFFFAOYSA-N 435.520 5.113 30 10 IKEE COc1ccc(C=C2Oc3c(ccc4c3CN(C3CCCCCC3)CO4)C2=O)c(OC)c1 2322076005 DDENTGLQCPRTBK-UHFFFAOYSA-N 435.520 5.195 30 10 IKEE CCCCCCN1COc2ccc3c(c2C1)OC(=Cc1cn(C)c2ccc(OC)cc12)C3=O 2322083208 IHYBOSUEQLOVJA-UHFFFAOYSA-N 446.547 5.535 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(Cl)cc2)c1OCC(=O)Nc1cccc(C)c1C 2322542365 HLNYYYUAAZNLEW-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCN(CC)C(=O)COc1c(C=CC(=O)c2ccc(C)cc2C)cc(Cl)cc1OC 2322572693 KLDJPERTXMEVAE-UHFFFAOYSA-N 429.944 5.109 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCc3ccccc3F)ccc3ccccc23)cc1F 2322708358 ZZEHRAWIKAVJJC-UHFFFAOYSA-N 430.450 6.602 30 10 IKEE Cc1cc(OC(=O)N2CCOCC2)cc2c1C(=O)C(=Cc1ccc(-c3ccccc3)cc1)O2 2322833078 DRGASTLDFRSIKZ-UHFFFAOYSA-N 441.483 5.109 30 10 IKEE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2F)C3=O)cc1OC 2323068394 GGLJDGHJQZILAJ-UHFFFAOYSA-N 446.430 5.078 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)c4ccc(F)c(F)c4F)cc(C)c3C2=O)cc1 2323127486 RTWGNERUTZNBLW-UHFFFAOYSA-N 438.401 5.810 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc4ccccc4c3)cc2)o1 2323395496 BGGQMUDBYGGXOG-UHFFFAOYSA-N 426.468 6.085 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc(Br)c1OCC 2323890107 FPQYSTRBACNJLT-UHFFFAOYSA-N 444.152 6.449 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(C(C)C)cc3)n2)cc1 2324404239 LPIXTWTXJFXJPC-DEOSSOPVSA-N 428.601 7.166 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3)cc2)c(OCC)c1 2324478258 OYYVFCSSPXHVMQ-UHFFFAOYSA-N 436.935 6.613 30 10 IKEE COc1cc(C=CC(=O)[C@@H](C#N)c2nc(-c3cc(C)ccc3C)cs2)ccc1OC(C)=O 2324561106 RCMUDSLIMFSFQU-HXUWFJFHSA-N 446.528 5.251 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OCCCCOc4cccc(C)c4)c3C)C2=O)cc1 2324574117 QYXFWQJDVONDHT-UHFFFAOYSA-N 442.555 6.720 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OCc2cccc(Cl)c2)c(Cl)c1 2324694007 XCDXXPAASHNYEP-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE COc1ccc(OCCCOc2cc(C)c3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1 2324705738 GYVACYZWFBVBGE-UHFFFAOYSA-N 434.463 5.607 30 10 IKEE CCCOC(=O)[C@H](CC)Oc1ccc2c(c1C)OC(=Cc1ccc(Cl)cc1Cl)C2=O 2325086356 JTLOXGPVSHUHMR-SFHVURJKSA-N 449.330 6.029 30 10 IKEE Cc1cc(OCC(=O)NC2CCCCC2)cc2c1C(=O)C(=Cc1ccc(C(C)C)cc1)O2 2325327328 BQUXJTSTLGOMFK-UHFFFAOYSA-N 433.548 5.562 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OCc3cccc(Oc4ccccc4)c3)ccc2C1=O 2325346303 OFLRGCFFDOFSCQ-UHFFFAOYSA-N 434.491 6.983 30 10 IKEE Cc1cc(OCc2ccccc2C#N)cc2c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O2 2325357898 MYVRMTSOUWRZCW-UHFFFAOYSA-N 436.294 6.369 30 10 IKEE CCCCOc1ccc(C=Nn2c(C)nnc2SCc2ccc(C)cc2)cc1OCC 2325611007 SOZCXVXMPIUISQ-UHFFFAOYSA-N 438.597 5.647 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OCC(=O)Nc3cc(Cl)ccc3C)ccc2C1=O 2325723368 BJHBCZFEPZSBGM-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE COc1ccc(C=CC(=O)c2cccc3ccccc23)cc1OC(=O)c1cccc(Cl)c1 2325749549 ZCLNPWJJYPCJNT-UHFFFAOYSA-N 442.898 6.617 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1cccc(C=CC(=O)c2cccc3ccccc23)c1 2325749966 BQBDIRWSGCRAGA-UHFFFAOYSA-N 440.926 6.928 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc1OC(=O)c1ccccc1 2325763684 IOIWLMFERXGFAC-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)C[C@H]2CCCC[C@@H]2N(C(=O)OC(C)(C)C)C1 2326071664 DXNMBJUXJBBVNC-TVZXLZGTSA-N 442.600 5.088 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccc(F)cc1F 2326542317 JYHKWNNWYIUIDT-UHFFFAOYSA-N 436.915 5.481 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1cccc(C(F)(F)F)c1 2326569957 YDSXXVIAEICJIY-UHFFFAOYSA-N 442.869 5.826 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccccc1C(F)(F)F 2326592292 ANEIDNMLTCTFAT-UHFFFAOYSA-N 432.515 6.041 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc(O)c(O)c1 2326600160 ZCVWPLGYMQUDBX-UHFFFAOYSA-N 444.560 5.178 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1ccc(O)c(Cl)c1 2326681506 HKLWAIJKQLFBGQ-UHFFFAOYSA-N 425.945 5.026 30 10 IKEE C=CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1cccc([N+](=O)[O-])c1 2326943708 BSTQXXKMLGOCEO-UHFFFAOYSA-N 437.569 5.106 30 10 IKEE Cc1ccc(C)c(OCc2nnc(SCc3ccccc3)n2N=Cc2cccnc2)c1C 2327272858 PTFWUSFGSHTMIG-UHFFFAOYSA-N 443.576 5.352 30 10 IKEE CCCSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1ccc(F)cc1F 2327385535 CPEAJINVBWISDD-UHFFFAOYSA-N 430.524 5.472 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccc(C(C)(C)C)cc1 2327566030 NMNCBPIKTQNKTN-UHFFFAOYSA-N 441.000 5.968 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccc(OCC)cc1 2327593214 YADCFCWOKNILMP-UHFFFAOYSA-N 428.945 5.070 30 10 IKEE C=CCSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc(C(C)(C)C)cc1 2327976874 XHKSQAVPNDZRAH-UHFFFAOYSA-N 439.028 6.175 30 10 IKEE COc1ccc(Cc2nnc(SCc3cccc(C)c3)n2N=Cc2ccc(O)cc2)cc1 2329256746 MVHOMRRXGPDIGB-UHFFFAOYSA-N 444.560 5.066 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2330193382 KJKYUMPVTCGMFL-UHFFFAOYSA-N 441.944 5.175 30 10 IKEE Cc1ccccc1C=Nn1c(CC2CCCCC2)nnc1SCc1cccc(Cl)c1 2330286613 QWCDDEYWHCEANJ-UHFFFAOYSA-N 439.028 6.537 30 10 IKEE Fc1ccc(CSc2nnc(Cc3cccs3)n2N=Cc2cccc(Cl)c2)cc1 2330339231 BPLZFTNIJMVZKR-UHFFFAOYSA-N 442.972 5.897 30 10 IKEE Cc1ccc(CSc2nnc(-c3cccs3)n2N=Cc2cc(Cl)ccc2O)cc1 2330530603 GOFDKTXVPHODCM-UHFFFAOYSA-N 440.981 5.849 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)CCCC4)cc2[N+](=O)[O-])cc1 2330684891 CAQFOVHNMVOXFT-UHFFFAOYSA-N 441.483 5.897 30 10 IKEE Cc1cccc(CSc2nnc(CC(C)(C)C)n2N=Cc2ccc(C(C)(C)C)cc2)c1 2330822502 UYWFAFFNFIQMOX-UHFFFAOYSA-N 434.653 6.647 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CC(C)(C)C)nnc1SCc1cccc(F)c1 2330824446 MTEPUDPODGMTKN-UHFFFAOYSA-N 438.572 5.745 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Br)cc2)cc(OC)c1OC(=O)C(C)(C)C 2330884253 MRZWGXRFALECBE-UHFFFAOYSA-N 447.325 5.314 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccccc3Cl)cc2OC)cc1 2330950685 RGHIZCFNPBCODP-UHFFFAOYSA-N 448.946 6.345 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(F)c(F)c1 2331132467 FDWGJWNVRQPASH-UHFFFAOYSA-N 442.845 6.132 30 10 IKEE Cc1ccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2-c2ccco2)cc1 2331226552 MFUUNBWCRHPVIL-UHFFFAOYSA-N 443.359 6.328 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1OC 2331255850 BZUBDJYYGAEKNZ-UHFFFAOYSA-N 435.347 6.774 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)c1cnccn1 2331341393 AEGFNNQLZCWKNC-UHFFFAOYSA-N 440.858 5.092 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2cc(OC)ccc2OC)cc1OC 2331377470 BVSQMWQOBWDBKW-UHFFFAOYSA-N 432.900 5.358 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OC(=O)c1ccccc1OC 2331485716 UNBQEQGQWVWAMX-UHFFFAOYSA-N 438.479 5.972 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(C)c3C)cc2OC)c1 2331632278 RRAPMQSLVLYBEQ-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)c(C)c1 2331764490 XZILEEPYQKBMJZ-UHFFFAOYSA-N 439.338 7.034 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c(Cl)c2)cc1Cl 2331819140 AVWKZENYWVNDFK-UHFFFAOYSA-N 435.347 6.774 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(F)c3)c(OC)c2)cc1Cl 2331834990 RPLXZNJKRUMOPE-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CCC(=O)C#Cc2ccccc2Br)C1(C)C 2370407843 RMQBAMOWHQJJFJ-VQIMIIECSA-N 434.374 5.089 30 10 IKEE Cc1ccc2oc(-c3cccc(/N=C/c4ccc(Br)c([N+](=O)[O-])c4)c3)nc2c1 3112993 KUPMWNABOZZGDZ-FSJBWODESA-N 436.265 6.225 30 10 IKEE Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4cccc(CCC#N)c4)c3n2)cc1 9775302 HGNZWZJOSASZGC-UHFFFAOYSA-N 449.436 5.432 30 10 IKEE CCOc1ccc(/C=C2/CC(C)C/C(=C\c3ccc(OCC)c(OC)c3)C2=O)cc1OC 20115274 BJDCCWRIZUGCMN-BILXGNRESA-N 436.548 5.967 30 10 IKEE CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccc(OC)c2)C3)cc1 21230779 SCLZYVNLKPVKSU-NGOKVRLYSA-N 440.543 6.073 30 10 IKEE CCOC(=O)c1c(NC(=O)CC2CCCC2)sc2c1CC[C@@](C#N)(c1ccccc1)C2 23316044 JUEYLDNZUUGORI-RUZDIDTESA-N 436.577 5.394 30 10 IKEE O=C1NC(=N/c2cccc(O)c2)/C(=C/c2ccc(-c3c(Cl)cccc3Cl)o2)S1 33568355 OXLYJXMIRMEFDH-YVLHZVERSA-N 431.300 6.487 30 10 IKEE COc1ccc(C(=O)/C=C\c2ccc(OC)c(COc3ccc([N+](=O)[O-])c(C)c3)c2)cc1 33853948 XTLZACFZSDEUKR-QCDXTXTGSA-N 433.460 5.396 30 10 IKEE COc1ccc(Cl)cc1C(=O)Nc1sc2c(c1C#N)CCN(Cc1ccccc1)C2 36629274 WSDBCFGYRNXQGQ-UHFFFAOYSA-N 437.952 5.092 30 10 IKEE O=C1/C(=C/c2c(Cl)cccc2Cl)S/C(=N/c2cccnc2)N1C1CCCCC1 39863155 NDJOFDKPBLMUEG-AVIKPBSTSA-N 432.376 6.325 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccc(OCCC)cc1 40095914 ZNINCBFQFQMZPT-BXKMTCNYSA-N 449.547 5.177 30 10 IKEE Cc1ccccc1COc1ccc2c(c1C)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 41433038 KCLLZYBUBARZHN-VEILYXNESA-N 432.519 7.166 30 10 IKEE N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 65034350 OABBVKLFYMKQCY-UHFFFAOYSA-N 442.416 5.119 30 10 IKEE CCCCCCCOc1ccc(NC(=O)CNc2cccc(C(=O)NC(C)(C)C)c2)cc1 100115052 KXGYOGILLMEEPZ-UHFFFAOYSA-N 439.600 5.615 30 10 IKEE CCCCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N/c1ccc(C)c(C)c1 100175736 UYKMZNFOAILKAG-DIQLGICBSA-N 437.634 6.468 30 10 IKEE CCCCCCCOc1cccc(NC(=S)NC(=O)CCc2ccccc2Cl)c1 100283435 KBGYMOJAQWIXMN-UHFFFAOYSA-N 433.017 6.135 30 10 IKEE CCCCCCCCCCCCCCCCCCCCCC(=O)Nc1cccc(OC)c1 100461935 YRJHXWVTVKCDOE-UHFFFAOYSA-N 445.732 9.456 30 10 IKEE CC(C)(C)C(=O)/C=C(O)\C(=C/C(=O)C(C)(C)C)NN=C(c1ccccc1)c1ccccc1 108712816 NFTNSKMJKCHGQV-KSTNYAOJSA-N 432.564 5.585 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2cccc(OC)c2)cc1 169933782 HXEQUPJRTFYOPD-RUZDIDTESA-N 441.527 5.657 30 10 IKEE CCCOc1ccc(/C=N\Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1OCC 169941584 GUHVYODUICCTOZ-OYKKKHCWSA-N 438.553 5.402 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2cc(C)ccc2C)=C(O)C(=O)N1c1ccccc1C 169946129 HSYPYRGEMMCDNJ-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccc(Cl)cc2)c1 169969742 LPRCJPDOSBJUIV-QHCPKHFHSA-N 443.886 6.178 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccccc2C)cc1 170029956 FXIZORBPIJJLSG-DEOSSOPVSA-N 427.500 5.485 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccccc2F)cc1 170071388 SEFNWYULDHBSSO-VWLOTQADSA-N 448.453 5.633 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccc2F)cc1 170072367 SPDAJXLHYWLIMW-QHCPKHFHSA-N 433.454 5.306 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2cccc(O)c2)cc1 170082563 VSLCVSAOSVBWOL-JOCHJYFZSA-N 435.426 5.016 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2sccc2C)cc1 170105995 DMIRMVTWWJNLOX-JOCHJYFZSA-N 433.529 5.167 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1c1ccc(Cl)cc1 170106580 IBEZFCLGSRVIIR-HXUWFJFHSA-N 449.915 6.239 30 10 IKEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc(C)c1 170147834 SBBFZOCRXPBILX-RUZDIDTESA-N 442.559 5.068 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@@H]1c1ccc(OC(C)C)cc1 170152222 WFZWHUDGSQWKFY-NRFANRHFSA-N 443.927 5.124 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1cccs1 170159828 YEJVDLTXVDLDCX-OAQYLSRUSA-N 430.485 5.021 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1cccs1)c1cccc2ccccc12 170166966 IZJTVUWZRQSIQY-HSZRJFAPSA-N 443.499 5.819 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccn2)c1 170169023 IQYLXJKXCCYXGB-QHCPKHFHSA-N 446.478 5.038 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccccn2)cc1 170170963 YGVQSURPEOGINU-XMMPIXPASA-N 442.515 5.214 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccn1)c1cc2cc(Cl)ccc2o1 170173334 ONHVDVRJUXEKJW-NRFANRHFSA-N 430.847 5.264 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2cccnc2)c1 170188418 SVLTZXCOFXGTEE-QFIPXVFZSA-N 448.906 5.305 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccnc2)c1 170194084 LTDYZVFDCZDQKX-OAQYLSRUSA-N 440.927 5.045 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccncc2)c1 170203089 VGZHFNFSMVSADB-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccccc2)cc1 170225536 JPHYBFRDKOJOPH-RUZDIDTESA-N 441.527 5.875 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(C(C)C)cc1 170245566 OFVRBDWIVVZZCI-FQEVSTJZSA-N 432.347 6.105 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 170256289 VFYINJXXZNOFLY-QHCPKHFHSA-N 425.488 5.170 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@H]2c2ccco2)c(C)c1 170288542 HHMPWSJORBUHNH-NRFANRHFSA-N 437.879 5.341 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1ccc(OC(C)C)cc1 170474224 LGYCIPXXKOAKFD-XMMPIXPASA-N 439.527 5.166 30 10 IKEE CCC(C)(C)[C@H]1CCc2sc3ncnc(NN=C/C=C/c4ccccc4OC)c3c2C1 254398963 OQMKVRXONMWMOV-IPDWGALASA-N 434.609 6.352 30 10 IKEE C[C@@H]1CC[C@@]23CC[C@@H]4[C@](C)(CC[C@@H]5[C@]6(C)CCC(=NO)[C@H](C)[C@@H]6CC[C@@]45C)[C@H]2[C@H]1OC3 254828662 SMVBJUJFMSJJCO-XJSHXJTASA-N 427.673 6.927 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1Br)NCCC 406770599 XVNJLDMVASUIIL-MOPGFXCFSA-N 425.411 5.219 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(O)cc2)c1 526604237 LOQMICJGIPIKIE-DEOSSOPVSA-N 426.472 5.110 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1/N=C\c1ccc(Cl)c(Cl)c1 526803561 ABQGIKYOEGMSHS-MSXFZWOLSA-N 437.371 6.241 30 10 IKEE CCOc1ccc(/C=N\n2c(C)nnc2SCc2cccc3ccccc23)cc1OCC 526821548 YDDGCBUMGTXZFL-QQXSKIMKSA-N 446.576 5.712 30 10 IKEE Oc1ccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2cccc(F)c2)cc1 526825319 CIIMEDBDVYSZGC-QQXSKIMKSA-N 432.524 5.083 30 10 IKEE N#Cc1cccc(CN(c2ccc(Oc3ccccc3)cc2)S(=O)(=O)c2ccccc2)c1 586193162 AXVJIGPJWGTSQS-UHFFFAOYSA-N 440.524 5.746 30 10 IKEE C=C(C)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(CCCCCC)cc1 586231303 PUZBEQQICOIZAA-UHFFFAOYSA-N 439.543 6.600 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 698427673 JTMJSMQRIWZERZ-CYFREDJKSA-N 445.560 5.118 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 698828583 BDPIOWUMPQQNLC-FDDCHVKYSA-N 449.979 5.763 30 10 IKEE CC[C@@](C#N)(C1CN(C(=O)OC(C)(C)C)C1)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 716135771 QAXAGZYAHGQLPG-HSZRJFAPSA-N 449.979 5.621 30 10 IKEE CCCCCCC[C@H](NCC)c1ccc(I)c(Br)c1 721644773 AZTJDRIKVXEPLF-INIZCTEOSA-N 438.191 6.065 30 10 IKEE C[C@]12CC[C@H]3[C@@H](CCC4=C(O)C(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1 1080965934 JCALZOORTMUIQT-JWKNHYDCSA-N 428.613 6.286 30 10 IKEE CCCCCCCCCCCCNC(=O)[C@@H]1CCC[C@H]1C(=O)NCCCCCCCC 1082549255 AXHHOMACSHJFKN-JWQCQUIFSA-N 436.725 6.917 30 10 IKEE C=CCc1cc(C=Nc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc(OCC)c1O 1084047359 UBBWRDNNVZHPBN-UHFFFAOYSA-N 434.517 6.329 30 10 IKEE CCc1ccc(C(=O)N2c3ccc(F)cc3C(=Nc3ccc(F)cc3)C[C@@H]2C(C)C)cc1 1088739021 OWTRWUVBYFZFTE-AREMUKBSSA-N 432.514 6.723 30 10 IKEE COC(=O)c1ccc(/C=C2/SC(=Nc3cccnc3Cl)N(c3ccccc3)C2=O)cc1 1772732887 HMYLCIFBNQBQIA-GBEVANGZSA-N 449.919 5.330 30 10 IKEE O=C1/C(=C/c2ccc(Br)cc2)SC(=Nc2nccs2)N1C1CCCCC1 1772736449 UKNVBSGRDZJOFX-PALNNIJKSA-N 448.411 5.842 30 10 IKEE Cc1csc(N=C2S/C(=C/c3ccc(N(C)C)cc3)C(=O)N2C2CCCCC2)n1 1772737310 KZZNTMHZCHYOOH-HOMYTQLHSA-N 426.611 5.454 30 10 IKEE C/C(=C1/SC(=Nc2cccc(C(=O)O)c2)N(C2CCCCC2)C1=O)c1ccc(N)cc1 1772738062 UIIHYVSQKHPCNC-POLMPROESA-N 435.549 5.294 30 10 IKEE Cc1ccc(N=C2S[C@H](CC(=O)c3ccc(F)cc3)C(=O)N2c2ccc(C)cc2)cc1 1772760005 KUYRWPKAEHDXKF-HSZRJFAPSA-N 432.520 5.852 30 10 IKEE Fc1ccc(-c2nn(-c3ccc(Cl)cc3)cc2/C=N\NC(=S)Nc2ccccc2)cc1 1857811194 OJRLWQWOJHFRMC-WGARJPEWSA-N 449.942 5.652 30 10 IKEE O=C(/C=C/c1ccc(Br)cc1F)C(=O)Nc1ccc(Oc2ccccc2)cc1 1860731278 ITMYKQPXAGHTOS-NTUHNPAUSA-N 440.268 5.602 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2ccc(OC)c(O)c2)cc1 1862395880 APBLDBBGQGOKFQ-HJPURHCSSA-N 437.536 5.120 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(OCCCC)cc1 1862439241 JZCYEHHXNZRKBM-OAQYLSRUSA-N 425.912 5.283 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccc(F)cc2)c1 1862444011 VYAHZEVLHRBDOH-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862478644 NAIHNXZNDBLMGE-CLOONOSVSA-N 441.527 5.733 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(F)cc1 1862490222 QICVRRREFROBQS-QPPBQGQZSA-N 437.555 6.380 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCC(C)C)c1 1862511794 QFYFQBNLCOFMLS-QHCPKHFHSA-N 439.527 5.547 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@H]1c1ccccc1Cl 1862516252 KGDUGKUQKNNDBL-JOCHJYFZSA-N 441.955 5.897 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2Cc2ccccc2)c1 1862534223 QYLPEJJUSUXRHT-VWLOTQADSA-N 441.527 5.426 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCc2ccccc2)cc1 1862561051 PHFIRTIFMMCPCY-VWLOTQADSA-N 440.543 5.213 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc([N+](=O)[O-])c1 1862583252 WSCVZSUMRYKHRY-GOSISDBHSA-N 449.290 5.136 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C2CC2)c1 1862586517 VHJYNYWRIKHUSL-HXUWFJFHSA-N 446.330 5.523 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccc(O)cc2)cc1 1862661297 CVUOLTSKALJSJU-VWLOTQADSA-N 447.575 6.207 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2cc(Cl)cc(Cl)c2)cc1 1862668021 ORBVQXTZFIIJQZ-HXUWFJFHSA-N 432.347 6.104 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)cc1 1862694344 HKVHUYISCOJZHU-CUHUQNRHSA-N 449.547 5.251 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2cccc(F)c2)c1 1862703126 RSEILKFBUAQKKL-DEOSSOPVSA-N 445.490 5.230 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1 1862721643 HLEGHXWOEACNRJ-SANMLTNESA-N 446.506 5.527 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(Cl)cc2)C1=O 1863173461 RHNKVISDNNVYHB-MRXNPFEDSA-N 427.891 5.165 30 10 IKEE Cc1ccc([C@@H](CC(=O)N[C@@H](C(=O)Nc2ccc(C#N)cc2)c2ccccc2)C(C)C)cc1 1866742200 DDNBHUOWCJDNLW-AHKZPQOWSA-N 439.559 5.493 30 10 IKEE CCCC[C@H](NC(=O)C[C@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866773471 BDXZVSXPPDMYEZ-ZEQRLZLVSA-N 449.595 5.319 30 10 IKEE CC(C)[C@@H]1c2ccccc2CCN1c1cc(Nc2ccc(C#N)cc2)nc(-c2ccccc2)n1 1868376406 LRJDDEGRKIMHRV-MUUNZHRXSA-N 445.570 6.519 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3c([nH]c4ccccc34)[C@H]2C2CCCCC2)nc(C)n1 1869296670 QLHOWBVEJNPMQW-MUUNZHRXSA-N 441.623 6.129 30 10 IKEE CCCCCCCCCCn1cc(OCCCCOc2ccc(C)cc2)c(=O)cc1C 1870088300 QZGGJJLIMJFJLE-UHFFFAOYSA-N 427.629 6.844 30 10 IKEE CCCCCCCCn1cc(OCCCCCCC)c(=O)cc1CN1CCC[C@@H](C)C1 1870412829 JXAXEQCZGQBZGI-XMMPIXPASA-N 432.693 6.790 30 10 IKEE C=CCOc1cn(CCCCCC)c(CNc2ccc(Br)cc2C)cc1=O 1870813952 MZBIDZUMSAHYBW-UHFFFAOYSA-N 433.390 5.676 30 10 IKEE CCCCCCCOc1cn(CCc2ccc(OC)cc2)c(CNc2ccccc2)cc1=O 1870833247 FFXNZFKPMXDUHJ-UHFFFAOYSA-N 448.607 6.061 30 10 IKEE C=CCn1cc(OCCCOc2ccc(CC)cc2)c(=O)cc1CNc1ccccc1C 1870881186 UGYKXSDUSKEHHY-UHFFFAOYSA-N 432.564 5.365 30 10 IKEE CCCCCCCCCCn1cc(OCCC)c(=O)cc1CNc1cccc(C)c1C 1871105966 IZDNYLOHCHUUQB-UHFFFAOYSA-N 426.645 7.007 30 10 IKEE CCCCCCCCCCn1cc(OCC(N)=O)c(=O)cc1CNc1ccccc1CC 1871118240 HNIWDNQMJZCJEM-UHFFFAOYSA-N 441.616 5.028 30 10 IKEE CC(C)CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(N(C)C)cc1 1871254979 OEYFIIIERNBSON-UHFFFAOYSA-N 444.579 5.023 30 10 IKEE CC(C)(C)Oc1ccccc1CN1COc2ccc3c(c2C1)O/C(=C\c1ccccc1)C3=O 1871344957 KWYOBTAQPPFZES-MYYYXRDXSA-N 441.527 5.832 30 10 IKEE O=C1/C(=C/C=C/c2ccccc2)Oc2c1ccc1c2CN(CCc2c[nH]c3ccccc23)CO1 1871345144 UNHYRBFHGZPHRJ-WHVYBDSHSA-N 448.522 5.735 30 10 IKEE C=CCOc1ccc(C(=O)Nc2ccc3c(C)c(C(=O)c4ccc(Cl)cc4)oc3c2)cc1 1871357974 CJVXNQQEZPVGEN-UHFFFAOYSA-N 445.902 6.443 30 10 IKEE O=C(COc1ccc(Cl)cc1Cl)Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O 1871367473 NKZAPWZCHMRKQB-OCKHKDLRSA-N 431.227 5.187 30 10 IKEE Cc1cc(OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc2c1C(=O)/C(=C/c1cccc(F)c1)O2 1871377324 GCUACMKXRWIVFB-ANXWUVDLSA-N 445.402 5.277 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2)Oc2cc(OC(=O)c3cccc4ccccc34)ccc21 1871377770 CSHQLYRCDTZPDJ-OYKKKHCWSA-N 426.855 6.329 30 10 IKEE Cc1c(OC(=O)CC2CCCCC2)ccc2c1O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 1871380512 RSKUATYGNABWGS-JLPGSUDCSA-N 432.560 6.785 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871386960 AYWZOUUPPJTQOD-HMAPJEAMSA-N 434.875 5.883 30 10 IKEE Cc1c(OC(=O)c2cccc(OC(C)C)c2)ccc2c1O/C(=C\c1cccc(Cl)c1)C2=O 1871388345 QQXKHENDZCOPNE-QRVIBDJDSA-N 448.902 6.271 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(O[C@H](C)C(=O)Nc3cccc(C)c3C)cc(C)c2C1=O 1871414948 YIUFEVTYXFIISV-QLTNSANVSA-N 447.556 6.004 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OCC(=O)N[C@H](C)c4ccccc4)c3C)C2=O)cc1 1871424264 CRFXWYDEWPFZRQ-UFAQQFSPSA-N 441.527 5.430 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1ccc2c(c1C)O/C(=C\C=C\c1ccccc1)C2=O 1871429155 KLKPXQQGCPOAAJ-OJYOEYRRSA-N 448.559 6.448 30 10 IKEE CCCCCCCCCOc1ccc2c(c1C)O/C(=C\c1cn(C)c3ccccc13)C2=O 1871429919 UFGPMCJRUXQQGI-ITYLOYPMSA-N 431.576 7.232 30 10 IKEE Cc1cc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc2c1C(=O)/C(=C/c1ccco1)O2 1871452882 UVOWNPGGXKZNBL-OCKHKDLRSA-N 444.270 5.529 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 1871798776 CRNJJPHJBNQTMY-JOCHJYFZSA-N 449.016 5.331 30 10 IKEE CCCCCCCOc1nonc1C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1 1872697663 NTSNTVSJJCURRM-UHFFFAOYSA-N 443.931 5.904 30 10 IKEE CCc1ccc(-c2csc([C@@H](C#N)C(=O)c3c(Cl)ccc(Cl)c3Cl)n2)cc1 1872761694 SSJHXLHHOLFUPF-ZDUSSCGKSA-N 435.763 6.823 30 10 IKEE N#C[C@@H](C(=O)c1c(Cl)ccc(Cl)c1Cl)c1nc(-c2ccccc2Cl)cs1 1872763950 AUMPQIOEXIDBFN-JTQLQIEISA-N 442.154 6.914 30 10 IKEE CC(C)c1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)n2)cc1 1872775977 FWKCHKUOAKSDCL-GOSISDBHSA-N 434.521 5.398 30 10 IKEE COc1c(Cl)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)/C=C/c2ccc(C)cc2)n1 1872778240 HCMRGXBDRKLWDI-OZSKJFCKSA-N 443.355 6.324 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(Cl)c(Cl)c3)n2)c(OC)c1 1872784370 RYBLZKZYHLZKMR-HNNXBMFYSA-N 447.343 5.553 30 10 IKEE COc1c(Cl)cc(-c2csc([C@H](C#N)C(=O)c3ccccc3Cl)n2)cc1Cl 1872785276 JPLRAQRJFDBRMI-GFCCVEGCSA-N 437.735 6.269 30 10 IKEE Cc1nc(SCc2cccc(C(=O)Nc3cccc(N(C)C)c3)c2)c(C#N)c(C)c1C 1872893338 SPUJFNYTUPGDGN-UHFFFAOYSA-N 430.577 5.489 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCCC)=C(c2cc(F)cc(F)c2)C1=O 1873108901 OOFDCMCPNYPINI-UHFFFAOYSA-N 434.571 5.965 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccccc2OCC)=C(c2cccnc2)C1=O 1873265272 BDKYPXCAPCWFTD-UHFFFAOYSA-N 449.595 5.813 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1c[nH]c2cc(Cl)ccc12 1873505440 OIVNLLUFJQVAEC-OPEKNORGSA-N 444.391 6.364 30 10 IKEE Cc1nc(-c2ccccc2F)sc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1874180797 RNIRFXGWKUPNAR-UHFFFAOYSA-N 448.363 6.548 30 10 IKEE CCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1c(F)cccc1Cl 1874254832 CJXHDGRPVONYIC-BHGWPJFGSA-N 432.952 5.569 30 10 IKEE CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(OCc2ccc(C)cc2)cc1 1874365128 MCCYLMCYKUDTFF-CVKSISIWSA-N 448.979 6.090 30 10 IKEE C=CCSc1nnc(CCc2cccs2)n1/N=C/c1ccc(N(CC)CC)cc1 1874371198 OCOOKEMHYNFHMZ-HAVVHWLPSA-N 425.627 5.131 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3F)n2/N=C/c2cccnc2)c1 1874375839 QCTUEKILCOJBAZ-JFLMPSFJSA-N 431.540 5.194 30 10 IKEE COc1ccc(/C=N/n2c(Cc3ccc(C)cc3)nnc2SCc2ccc(C)cc2)cc1 1874386155 APVXBCGZCKHCPK-WPWMEQJKSA-N 442.588 5.669 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2/N=C/c2ccncc2)cc1 1874391105 UDSQFJQORIRDFL-CVKSISIWSA-N 433.968 5.400 30 10 IKEE C=CCSc1nnc(CCc2ccccc2)n1/N=C/c1ccc(OCC)c(OCC)c1 1874403672 LVRVVHMVQHQIPJ-XIEYBQDHSA-N 436.581 5.021 30 10 IKEE Fc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccccc2)c(F)c1 1874407655 ITQIAPROCZHDBM-CVKSISIWSA-N 426.536 5.854 30 10 IKEE COc1ccc(OC)c(/C=N/n2c(SCc3cccc(F)c3)nnc2-c2ccccc2)c1 1874426780 AAODNWMBRLKTCF-CVKSISIWSA-N 448.523 5.276 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2[C@@H]2CCCO2)c(F)c1 1874450415 BAAWJHYEPYFQOO-DAFNMPDCSA-N 434.899 5.236 30 10 IKEE Clc1ccc(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2ccccn2)cc1Cl 1874451279 VSCZRRFLABKLAM-HPMPDSITSA-N 434.352 5.006 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2cccs2)c(C)c1 1874458781 FENQROLYPLHHRR-YDZHTSKRSA-N 439.610 5.227 30 10 IKEE CCCCc1nnc(SCCc2ccccc2)n1/N=C/c1c(Cl)cccc1Cl 1874478553 GQDYLGJAJGIXPX-BUVRLJJBSA-N 433.408 6.145 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C2CC2)c(O)c1 1874521053 YWIZLMRPXYTMRW-LSFURLLWSA-N 435.336 5.048 30 10 IKEE Cc1ccccc1COc1ccc(/C=N/n2cnnc2SCc2ccccc2C)cc1 1874534754 ZDRUCYOQKFBKMA-JFLMPSFJSA-N 428.561 5.648 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(S)nnc2CCCOc2cccc(C)c2)cc1 1874567241 MNUKZFQQOSTBDL-XIEYBQDHSA-N 438.597 5.338 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCc2ccccc2Cl)c1 1874572280 FSCRGRMLXGAOAG-ZHACJKMWSA-N 443.326 6.486 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2cccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)c2)c1 1874594256 AKVWULHSGQNEHM-MDWZMJQESA-N 430.460 5.125 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OCC(=O)Nc1cccc(C)c1 1874594994 OOXARFQVCVZGPG-ZRDIBKRKSA-N 435.907 5.571 30 10 IKEE CCCN(CCC)C(=O)COc1cccc(/C=C/C(=O)c2cc(Cl)ccc2OC)c1 1874600908 JHDLGKWMJUVYPO-PKNBQFBNSA-N 429.944 5.272 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(OC)c1OCc1cccc(F)c1 1874602563 SIQZDKGGJGIHFA-JLHYYAGUSA-N 442.486 6.471 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1nccs1 1874614670 NIXOOWRHIZCFMD-CMDGGOBGSA-N 442.924 5.109 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1cc(C)ccc1C 1874616293 RRVXQWMNTKSEHW-UXBLZVDNSA-N 441.354 7.094 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OCc2cccc(Cl)c2)cc1 1874624863 ZJZXWSXZCYUNMF-GXDHUFHOSA-N 434.963 7.121 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(C(C)(C)C)cc1 1874651269 PQTSBGYTTSTYHO-VWLOTQADSA-N 443.591 5.007 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2c(F)cccc2Cl)c1)c1ccc2c(c1)OCCO2 1874706275 YJQOVVYDGGPLAL-VQHVLOKHSA-N 438.838 5.366 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OC(=O)Cc1ccc(F)cc1 1874710133 UTHFNRQSCRKJFA-ONNFQVAWSA-N 426.390 5.157 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1OC(=O)Cc1ccccc1F 1874711849 JYFIBOHITAMKCJ-ZRDIBKRKSA-N 446.518 6.112 30 10 IKEE Cc1cc(CC(=O)Oc2cccc(/C=C/C(=O)c3cc(Cl)ccc3Cl)c2)ccc1F 1874718559 JYJMYWSSGIHKNN-UXBLZVDNSA-N 443.301 6.485 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(F)cc3F)c2)c2ccccc12 1874718833 YMVRBCDMULOYOB-UKTHLTGXSA-N 444.433 6.242 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc(OC)c1OC(=O)c1ccco1 1875109470 PGBPFLJVARPKQF-PKNBQFBNSA-N 432.472 5.449 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1 1875110399 JCVRYRWRISPWLJ-WUXMJOGZSA-N 427.283 6.117 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)c1c(OC)cccc1OC 1875136475 ATABNALKEFKYLW-RVDMUPIBSA-N 446.499 5.526 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)c1ccncc1 1875156699 JWAWHDPCFIJYBB-BJMVGYQFSA-N 449.934 6.372 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OC(=O)Cc1ccc(F)cc1 1875164043 PVBGWPJESMZUMD-VZUCSPMQSA-N 440.417 5.547 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc(OC)c1OC(=O)C1CCCC1 1875166751 RLPYRSVPJKJOQR-WYMLVPIESA-N 448.559 6.041 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3c(C)cccc3C)cc2)c(C)c1C 1875167422 DRKGPKKUBYFCGV-RVDMUPIBSA-N 444.527 5.809 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)c3ccccc3)cc2)c1 1875171714 JTEIWXQJXKNKGQ-XMJIKXADSA-N 444.527 6.089 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)c2cccs2)c([N+](=O)[O-])c1 1875184283 RKROYKRJUPXAEN-DHZHZOJOSA-N 449.528 6.378 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3cc(C)c(OC)cc3C)cc2)c1 1875187296 XOXGSKJYKPDVDS-GXDHUFHOSA-N 444.527 5.755 30 10 IKEE C=C(c1ccccc1)[C@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 1888711901 NRKIIEZFFDQRAI-LBNVMWSVSA-N 449.639 5.237 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)CC1(C)C 1949597313 VCYUXQOJZBIDIE-QHCPKHFHSA-N 433.524 5.249 30 10 IKEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@H](C)C[C@@H]1CCCCCN1C(=O)OC(C)(C)C 2020331120 BIKBJPRBBDKPRO-PMACEKPBSA-N 439.641 5.005 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Cl)c1Br)NCCC 2063099435 YMGDVYLRMOHOLY-JKSUJKDBSA-N 431.802 5.093 30 10 IKEE C=C(c1ccccc1)[C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2076572773 KNUIFMGWAVVGQZ-IEZKXTBUSA-N 438.612 5.567 30 10 IKEE CC(C)c1ccc([C@H](C2CCC2)n2nc(C3CCC3)c(C=NO)c2Br)cc1 2079943431 BLJALVDCFPLXSB-NRFANRHFSA-N 430.390 6.234 30 10 IKEE COc1ccc([C@@H](n2nc(C(C)(C)C)c(C=NO)c2Br)C(C)(C)C)cc1C 2080008037 RONJCUJWSJRRPS-GOSISDBHSA-N 436.394 5.704 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 2082160775 JRKVIFASZHRVQQ-MPCDZSKCSA-N 443.588 5.712 30 10 IKEE CCC[C@]1(Nc2cc(Br)cc(F)c2C#N)CCCN(C(=O)OC(C)(C)C)C1 2163689931 MFLWAKVDYFEPPX-FQEVSTJZSA-N 440.357 5.442 30 10 IKEE CC(C)(C)OC(=O)NCCCN(c1cccc(Br)c1)[C@@H]1CCCC[C@@H]1C#N 2174566036 SNCNJHBRXJAQEI-VQIMIIECSA-N 436.394 5.253 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(Nc2cccc(Br)c2)C12CCCC2 2204347512 OMRMKDJZGPVSKT-HXUWFJFHSA-N 434.378 5.467 30 10 IKEE C=CCCCCCC[C@H](N)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2206901746 DSDQEPBRVKHWOG-VQTJNVASSA-N 439.438 5.739 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H](CSC(C)(C)C)NC(=O)OC(C)(C)C 2212713561 MLBMEJIWKXOKHM-RTWAWAEBSA-N 436.662 5.163 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1sc(C)c(Br)c1C 2226138825 LVJVQGRYIXOZAA-RDJZCZTQSA-N 443.451 5.475 30 10 IKEE C=C(CC)C[C@@H](NCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2229124773 VKFJXQXPPMIBGR-MOPGFXCFSA-N 425.411 5.219 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N(Cc1ccccc1)Cc1ccccc1 2241478330 CEKDJUGAOMNQGK-UHFFFAOYSA-N 441.380 5.137 30 10 IKEE N[C@@H](C#CC1CCCCC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2261019820 YWIPWVVNSMHPPP-MHZLTWQESA-N 425.572 6.428 30 10 IKEE Cc1cc(C(=O)N(Cc2ccccc2)C2CCCC2)cc(C)c1B1OC(C)(C)C(C)(C)O1 2267107383 MVLIAHULMZZDFR-UHFFFAOYSA-N 433.401 5.188 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)c1cc(Br)cc(C(C)(C)C)c1 2273004690 FDFDMWURZSXNID-QZTJIDSGSA-N 426.395 5.640 30 10 IKEE C#C[C@@H](C)[C@@H](OCCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2275035955 ZNEPGRVQLHSPJW-LYZGTLIUSA-N 444.527 5.646 30 10 IKEE CC(C)(C)OC(=O)N1CCC(CCCC(=O)C#Cc2ccccc2Br)CC1 2283141453 WIOPETYUGLTCEU-UHFFFAOYSA-N 434.374 5.187 30 10 IKEE Cc1cccc(N2C(=O)C(=C3Sc4ccccc4N3C)SC2=Nc2ccccc2)c1 2295178741 UQQFEPJXAYJMTO-UHFFFAOYSA-N 429.570 6.174 30 10 IKEE CCC[C@]1(C(=O)C#Cc2ccc(Br)cc2)CCCCN1C(=O)OC(C)(C)C 2296230503 UMOBZMYCUJVCKH-JOCHJYFZSA-N 434.374 5.330 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C 2296298561 LLFAZQBLMMGESA-RBUKOAKNSA-N 437.422 5.108 30 10 IKEE COc1ccc(N=C2NC(=O)C(=Cc3ccc(OCc4cccc(C)c4)cc3)S2)cc1 2296738382 NIVJVGWEIQFBNK-UHFFFAOYSA-N 430.529 5.474 30 10 IKEE O=C(C=Cc1ccc(COc2c(F)c(F)cc(F)c2F)o1)c1cccc(OC(F)F)c1 2297115631 ZPQAZEVZUSWPEK-UHFFFAOYSA-N 442.311 5.913 30 10 IKEE Cc1cccc(CN2c3ccccc3C(=O)C(=CNc3cc(C)ccc3C)S2(=O)=O)c1 2297334980 XJYWMGUXSGHDBJ-UHFFFAOYSA-N 432.545 5.098 30 10 IKEE C=CCOC(=O)C=Cc1cc(Cl)c(OCc2ccc(Br)cc2)c(OC)c1 2314019672 WLEPJCWSKGTSBU-UHFFFAOYSA-N 437.717 5.433 30 10 IKEE CCOC(=O)[C@@H](Oc1ccc2c(c1)OC(=Cc1ccc(CC)cc1)C2=O)c1ccccc1 2314437116 CVFGJCFKITWZMO-SANMLTNESA-N 428.484 5.548 30 10 IKEE CCOC(=O)[C@@H](Oc1ccc2c(c1)OC(=Cc1ccc(OCC)cc1)C2=O)c1ccccc1 2314438253 MOCROQIBBGULGV-SANMLTNESA-N 444.483 5.385 30 10 IKEE Cc1ccc(N=C2NC(=O)SC2=Cc2ccc(-c3nc4ccccc4s3)o2)cc1C 2314487362 QDGBUGRLRWKYDT-UHFFFAOYSA-N 431.542 6.701 30 10 IKEE Cc1nnc(N=C2SC(=Cc3ccc(Cl)cc3Cl)C(=O)N2c2ccccc2)s1 2314547298 GAKFOZZJSGLDHY-UHFFFAOYSA-N 447.372 5.962 30 10 IKEE Cn1cc(OCc2ccccc2)c(=O)cc1CON=C(c1ccc(C(C)(C)C)cc1)C1CC1 2318633609 JGQAHYIGNBJKPE-UHFFFAOYSA-N 444.575 5.593 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@@H](C#N)[C@]1(C)CCCCN1C(=O)OC(C)(C)C 2318815824 HRPWNLMSYIPDRY-CYFREDJKSA-N 447.551 5.639 30 10 IKEE CCOc1cc(C=NNc2oc([C@@H]3C[C@H]3c3ccccc3)nc2C#N)ccc1OC(C)C 2320837460 YLVTUHITVZEMHW-VQTJNVASSA-N 430.508 5.449 30 10 IKEE CCc1ccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C2CC2)cc1 2320867914 ZMFROWICBPPFHR-UHFFFAOYSA-N 431.392 6.199 30 10 IKEE CCc1nnc(SCc2ccc(F)cc2)n1N=Cc1cc(Br)ccc1F 2320956222 XLDGRRGXAGTMEY-UHFFFAOYSA-N 437.313 5.056 30 10 IKEE CSCCC1CC(C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Br)C1 2321433565 NCWKQTOAUKYDER-UHFFFAOYSA-N 425.392 5.616 30 10 IKEE O=C1C(=Cc2ccccc2Cl)Oc2c1ccc1c2CN(Cc2ccc3c(c2)OCO3)CO1 2322099050 ILVZGKQCUUURMZ-UHFFFAOYSA-N 447.874 5.037 30 10 IKEE COc1ccc(C=C2Oc3c(cc4c(c3C)OCN(CCCc3ccccc3)C4)C2=O)cc1 2322427203 JIWOZDJLSZTXQZ-UHFFFAOYSA-N 441.527 5.405 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccccc2C=CC(=O)c2ccc([N+](=O)[O-])cc2)c1 2322467015 DRFQQLGHJHMKDO-UHFFFAOYSA-N 430.460 5.125 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2ccccc2)cc1 2322557726 KEDAQTBRKRYKRN-UHFFFAOYSA-N 435.907 5.652 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C)cc2C)c1OCc1ccc(Cl)c(Cl)c1 2322575242 CKGBQXIEKJEXIR-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE Cc1c(OC(=O)c2cc3ccccc3o2)ccc2c1OC(=Cc1ccc3c(c1)OCO3)C2=O 2322840654 BQOVNFHTLJEYMC-UHFFFAOYSA-N 440.407 5.305 30 10 IKEE CCOC(=O)c1ccc(COc2ccccc2C=CC(=O)c2cc(C(C)(C)C)ccc2C)o1 2322952805 FGYFDSFHUXMRNA-UHFFFAOYSA-N 446.543 6.537 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2cc(Br)ccc2OCCO)cc1Cl 2322969210 SAKFOKBXIXZMRB-UHFFFAOYSA-N 446.124 5.032 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc4c(c2)OCO4)C3=O)cc1C 2323247875 YSUKYHYXBSMSNE-UHFFFAOYSA-N 428.440 5.176 30 10 IKEE CCc1ccc(NC(=O)COc2cccc(C=CC(=O)c3ccc(OC)c(C)c3C)c2)cc1 2323248392 LWXBUOHORDARML-UHFFFAOYSA-N 443.543 5.788 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1cccc(OCC(=O)Nc2ccccc2C)c1 2323301690 UQAQCGQLRHAITL-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE C[C@@H](NC(=O)COc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1)c1ccccc1 2323395657 SJLBFPIZCPGQPA-OAQYLSRUSA-N 435.523 5.992 30 10 IKEE Cc1cc(OC(=O)C=Cc2ccc(C(C)C)cc2)cc2c1C(=O)C(=Cc1ccncc1)O2 2323503428 VJHNNJDBTROGGA-UHFFFAOYSA-N 425.484 5.748 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 2323579751 UAFZHXXEDFXUBH-UHFFFAOYSA-N 447.487 5.786 30 10 IKEE CSc1nnc(Cc2ccccc2)n1N=Cc1ccccc1OCc1ccc(C)cc1 2323581174 DPODAAOMWKTYPR-UHFFFAOYSA-N 428.561 5.360 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 2323791980 QLGIEAHEFCWECF-UHFFFAOYSA-N 427.327 6.867 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3)c(OCC)c2)cc1 2323840230 CIKRLEVDGUGXLN-UHFFFAOYSA-N 445.515 5.398 30 10 IKEE CC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2Cl)C3=O)c1 2323896884 MDNPIOOBFOVFGU-UHFFFAOYSA-N 448.858 5.409 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1Cl 2324161792 VVFUJJFCPBTDAT-UHFFFAOYSA-N 447.962 6.685 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc4c(c3)OCCO4)n2)cc1 2324404228 JZTOWLCSXTVHRI-OAQYLSRUSA-N 444.556 5.814 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4cc(Cl)ccc4C)ccc3C2=O)o1 2324510596 YRBGOHHSGIYBKX-HNNXBMFYSA-N 437.879 5.572 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OCCC(=O)Nc4ccc(C)cc4)c3C)C2=O)cc1 2325232232 YFWWSLVNVITWHQ-UHFFFAOYSA-N 441.527 5.890 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1OC(=O)c1c(F)cccc1Cl 2325729584 QNKTUSRUOZYVPK-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)c2ccccc2C)c1 2325756140 FZQMSPIJJIGZMY-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OC(=O)c1ccc(F)c(F)c1F 2325759841 MWKGKKLJKHRUMA-UHFFFAOYSA-N 440.417 5.845 30 10 IKEE CCCOc1cccc(C=Nn2c(COc3c(C)ccc(C)c3C)nnc2SCC)c1 2327266131 WMFLHHASFRJGFT-UHFFFAOYSA-N 438.597 5.565 30 10 IKEE C=CCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1cccc2ccccc12 2327296606 CIISLOACFKKCNM-UHFFFAOYSA-N 442.588 6.096 30 10 IKEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc(C(C)C)cc1 2328075353 OAWKOYRGILZBHT-UHFFFAOYSA-N 425.001 6.000 30 10 IKEE CCSc1nnc(COc2ccc(C)cc2C)n1N=Cc1cccc(Br)c1 2328893378 GMIYJTWBBZIPHW-UHFFFAOYSA-N 445.386 5.231 30 10 IKEE CCCCCOc1ccc(C=Nn2c(CCc3ccc(C)c(C)c3)nnc2SC)cc1 2328920827 QJCWEEJCMXPZDD-UHFFFAOYSA-N 436.625 5.853 30 10 IKEE Fc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2ccccc2Cl)cc1 2329841405 XVGMTGYCWFOJMN-UHFFFAOYSA-N 436.943 5.836 30 10 IKEE Cc1ccsc1C=Nn1c(SCc2ccc(F)cc2)nnc1[C@@H](C)c1ccccc1 2330066352 LSBGEXLWMRIMSM-KRWDZBQOSA-N 436.581 6.113 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2Cl)n1N=Cc1cccn1C 2330110644 YGTZXUIEDOTKIF-QGZVFWFLSA-N 435.984 5.596 30 10 IKEE CCc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccccc2C)cc1 2330233013 CZHRGUBJHCSXCL-UHFFFAOYSA-N 432.637 6.446 30 10 IKEE O=[N+]([O-])c1cccc(C=Nn2c(SCc3ccccc3Cl)nnc2-c2ccccc2)c1 2330672932 OEZCABOYCYJJHJ-UHFFFAOYSA-N 449.923 5.681 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2-c2ccccc2)cc1 2330684848 RNGHJLGUGHWBTQ-UHFFFAOYSA-N 434.952 5.782 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1cccs1 2330700648 VGVOPIZOUSIGFX-UHFFFAOYSA-N 432.541 6.141 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2-c2ccco2)cc1 2331167840 DJDUPERPHDHFMC-UHFFFAOYSA-N 446.576 6.200 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc(Br)c1OC(=O)C1CCC1 2331182799 OYYDNLRAZIFNDP-UHFFFAOYSA-N 429.310 5.449 30 10 IKEE COc1ccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3)cc2)cc1 2331259203 ZQIGQFARSUFMCS-UHFFFAOYSA-N 430.500 5.664 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OCC 2331327585 WDMZXPKIWZTEPA-UHFFFAOYSA-N 436.592 7.254 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)CCCCCC 2331348812 SCNCAOMBOSXOKU-UHFFFAOYSA-N 438.539 6.643 30 10 IKEE Cc1ccc(C=Nn2c(SCC(=O)Nc3c(C)cccc3C)nnc2C(C)(C)C)cc1 2331393744 LYPZXCMDFGNLKY-UHFFFAOYSA-N 435.597 5.114 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cccc4ccccc34)cc2)cc1 2331410988 BIGREQXTMAYUOP-UHFFFAOYSA-N 448.562 7.182 30 10 IKEE CN(C)c1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 2331412640 RWEPFWCDNYGNTG-UHFFFAOYSA-N 427.544 6.165 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccs3)c([N+](=O)[O-])c2)cc1 2331417484 UCXYWYIRFRSWAA-UHFFFAOYSA-N 435.501 6.069 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc1[N+](=O)[O-] 2331577827 YOEAHGXSJQDKBR-UHFFFAOYSA-N 439.508 6.027 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)c1ccccc1C 2331709895 DNUWGOFFMLHFKH-UHFFFAOYSA-N 440.539 6.464 30 10 IKEE CN(Cc1ccccc1)[C@@H](CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C1CC1 2339586373 DWRJXEWJXQIEGY-QHCPKHFHSA-N 433.405 5.049 30 10 IKEE CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339606313 PEOIDQOZOYWGHY-QZASHXROSA-N 446.397 5.044 30 10 IKEE N#Cc1cc(Cl)ccc1OCc1ccc(I)c(Br)c1 2350071661 LORQUKUOUSLQDY-UHFFFAOYSA-N 448.485 5.158 30 10 IKEE CC1(C)CC=C(B2OC(C)(C)C(C)(C)O2)CN1Cc1cc(Cl)cc(Br)c1 2362662007 PUPJQPCVUZUYRS-UHFFFAOYSA-N 440.618 5.645 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@@H](C#N)c1c(Cl)ccc(Cl)c1Cl 2364579896 IGOHPBLNDRKZIO-HNNXBMFYSA-N 429.706 6.792 30 10 IKEE CC(C)CN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)S/C1=N\c1ccccc1 4470760 GGPQGDDEVVCVMA-IKMQVZDESA-N 446.528 5.905 30 10 IKEE CN(C)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(-c4ccc(Cl)cc4)c32)cc1 9599401 ZOAZGYVZTCJMFM-OAQYLSRUSA-N 446.982 5.997 30 10 IKEE C=C(C)COc1ccccc1NC(=O)COc1ccc(Br)cc1C(C)(C)C 9823128 QLLFCMCGUFKGHL-UHFFFAOYSA-N 432.358 5.719 30 10 IKEE CCC(C)(C)C1C/C(=C\c2ccc(SC)cc2)C(=O)/C(=C/c2ccc(SC)cc2)C1 20115590 AHKZZBPKTFFBFI-YHARCJFQSA-N 436.686 8.013 30 10 IKEE CCn1c2ccccc2c2cc(NC(=O)CSc3nc(C(C)C)ccc3C#N)ccc21 20215216 WYCUBZCOQLLWBU-UHFFFAOYSA-N 428.561 5.935 30 10 IKEE CC[C@@H](C)Oc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 20883792 QMYZHVOKBCTQRT-QZXAKIBKSA-N 444.600 6.905 30 10 IKEE COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1Br 21218158 HXVAPYQQHIBRAC-NRFANRHFSA-N 427.342 5.680 30 10 IKEE CC(C)c1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(Cl)c(Cl)c2)C3)cc1 21220493 SVBIZNPVFQGXIY-ZWKOTPCHSA-N 428.359 6.121 30 10 IKEE CN(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(Cl)cc2)cc1 21222611 ZZWJBQGIFAGBDN-XHCCPWGMSA-N 443.978 6.386 30 10 IKEE COc1ccc(C(=O)/C=C\c2ccc(OC(=O)c3ccc(C)cc3)c(OC)c2)c(OC)c1 34954246 MTKKTWGRSGNECX-QPEQYQDCSA-N 432.472 5.136 30 10 IKEE C=CCc1ccccc1OCc1nc2ccccc2n1CCOc1cccc2ccccc12 39907169 ULWUECWVMBLAAP-UHFFFAOYSA-N 434.539 6.576 30 10 IKEE COc1cc(/C=C2\Oc3cc(OCc4ccccc4C)cc(C)c3C2=O)cc(OC)c1OC 41433072 CEKUQURQEGFDER-JJFYIABZSA-N 446.499 5.524 30 10 IKEE CCCc1cc(N2CCN(C/C=C\c3ccccc3)CC2)n2c(nc3ccccc32)c1C#N 53517174 FCEFWHRASFUUNO-WQLSENKSSA-N 435.575 5.147 30 10 IKEE Cc1ccccc1/N=C1/NC(=O)/C(=C\c2cccn2-c2ccc(Br)cc2)S1 59679620 OHNQMTBWUYFCQP-CPNJWEJPSA-N 438.350 5.440 30 10 IKEE C=CC(=O)OCCCOCCCOCCCOc1ccc(CCCCCCCCC)cc1 60272652 LOJPOQIBBASHFZ-UHFFFAOYSA-N 448.644 6.291 30 10 IKEE CCNc1ccc(Br)cc(C(=O)/C=C\c2ccc(Cl)cc2Cl)c1=O 97474808 QMPHFJISGJQSPF-YWEYNIOJSA-N 427.125 5.444 30 10 IKEE CCCCCCCOc1cccc(NC(=S)NC(=O)c2cccc(O[C@@H](C)CC)c2)c1 100258464 KZLOLEWDBDCRBM-IBGZPJMESA-N 442.625 6.340 30 10 IKEE C=CCOc1ccc(/C=C2\S/C(=N/c3nc(-c4ccccc4)cs3)N(CC)C2=O)cc1 101130340 SWPXEMFWXYQOPL-SYUAUQEVSA-N 447.585 5.999 30 10 IKEE O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)O/C(=C/c1ccc(Cl)c(Cl)c1)C2=O 102720298 ZYWLIPCLIKKAIW-AIDHTSIMSA-N 437.278 6.228 30 10 IKEE C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(C)c2C)S/C1=N/c1ccc(C)c(Cl)c1 104899017 KTPDPPXJUVXQGD-XMVGPFMNSA-N 441.984 5.412 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccc(C)cc2)cc1 169925355 WXJHOVSIZHDGSE-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(OC(C)C)cc2)c1 169977375 NXPLILRXILVASC-RUZDIDTESA-N 441.527 5.874 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@H]1c1cccnc1)c1ccc(Cl)cc1 170004872 KOQFYBNMGIMZLG-IBGZPJMESA-N 443.261 5.310 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)s1 170063005 VWSZNEDOIJCCDG-GOSISDBHSA-N 442.899 5.335 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1cccc(O)c1)c1cc2ccccc2o1 170083022 VJIGBGWSCLNCTJ-QHCPKHFHSA-N 443.430 5.056 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cn(C)c3ccccc23)cc1C 170084367 MNHOBOGHYYDWSN-XMMPIXPASA-N 440.499 5.167 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@H]1c1cccnc1 170187617 VSYHBAKQBOPGEI-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CCC)cc1 170215704 QIULQTMNUWHZDU-HXUWFJFHSA-N 448.346 5.771 30 10 IKEE COc1cc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2)cc1Cl 170226143 XBBZMMKACVIEAJ-QFIPXVFZSA-N 449.890 5.140 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(F)cc2)cc1 170239983 KUVVNKIANNOWMY-FYSMJZIKSA-N 443.474 5.240 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccccc1F)c1ccc(Br)cc1 170253543 LSCKSLWVSPPUMN-IBGZPJMESA-N 444.300 5.109 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccccc1C 170269932 GNNWTGLYINYTNR-QFIPXVFZSA-N 433.529 5.152 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1C 170271331 XAXJGRLKQSMYHM-QFIPXVFZSA-N 435.426 5.065 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)cc(C)c3OC)[C@H]2c2ccc(C)o2)c1 170297668 HYQGNYHXJOUQTF-JOCHJYFZSA-N 447.487 5.005 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccc(C)o2)cc1C(C)C 170301039 YAGSRAXUUQEQNV-HSZRJFAPSA-N 447.487 5.209 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1c1ccccc1 170314866 MDXNAQUURBETSW-QFIPXVFZSA-N 429.541 5.718 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 170346202 ARRHSDCIJCGPHN-JOCHJYFZSA-N 442.540 5.700 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2nc3ccc(C(C)(C)C)cc3s2)[C@@H]1c1ccccn1 170479588 VMAXDQBQHOYHKJ-LJQANCHMSA-N 449.576 5.504 30 10 IKEE CC(C)(C)N1C[C@@H](C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)CC1=O 170522162 VZCVEJZAIIZTHO-IBGZPJMESA-N 427.504 5.071 30 10 IKEE CCCCCCC[C@@H](C(=O)O)N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 226801099 FSIDXIXDGBQUKD-VWLOTQADSA-N 435.564 6.214 30 10 IKEE CC(=NNc1nc(-c2ccc(Cc3ccccc3)cc2)cs1)c1ccc(C(C)(C)C)cc1 254795057 JLSOXMAUTHLLGO-UHFFFAOYSA-N 439.628 7.535 30 10 IKEE COc1ccc(-n2c(-c3ccc(F)cc3)cc(C(C)=NOCc3cccc(F)c3)c2C)cc1 254813781 GIMIPXJLGMIPSD-UHFFFAOYSA-N 446.497 6.680 30 10 IKEE O=C(OCc1ccccc1)N1C[C@@H](CS)[C@@H](c2ccc(Cl)cc2Br)C1 382691538 IPTPYPVVJLECAK-YOEHRIQHSA-N 440.790 5.385 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1sccc1Br)NCCC 406498361 LEBSQNVTZCRXBT-JKSUJKDBSA-N 431.440 5.281 30 10 IKEE C=C(COCC)[C@H](NCCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 407084256 DKSDCJRWGBTADA-SFHVURJKSA-N 427.383 5.430 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(C)cc2)c1 526515830 KSLPGLKYBWEUFG-SANMLTNESA-N 438.527 6.103 30 10 IKEE CC(C)Oc1cccc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2C#N)c1 526606723 NWSHSUVJFJLPNN-DEOSSOPVSA-N 444.918 6.056 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccc3ccccc23)c1 526773001 NLJRQFVSRFTXMI-SANMLTNESA-N 449.506 6.021 30 10 IKEE COc1ccccc1/C=N\n1c(CCc2ccccc2)nnc1SCc1ccc(F)cc1 526802557 JZVORAMKXPEFNQ-PKAZHMFMSA-N 446.551 5.386 30 10 IKEE Cc1ccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccccc2F)cc1 526803757 LNALJOAOWCGDIL-PKAZHMFMSA-N 430.552 5.685 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccc(Cl)c(Cl)c1 526807240 PJMQDCAGXCSPSM-YVNNLAQVSA-N 425.772 5.975 30 10 IKEE Cc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1 526829755 YTLALXVTULPUDY-XYGWBWBKSA-N 443.532 5.260 30 10 IKEE CC1(C)[C@H]2CC[C@@]1(C)C(=NNC1=NC(=O)/C(=C/c3ccc(Br)cc3)S1)C2 575732319 OSOWLGLZNFHGQW-QBQSHFJXSA-N 432.387 5.211 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCN(C(=O)OC(C)(C)C)[C@@H]1C 698375108 RKSVCOVXIKFLTO-MZNJEOGPSA-N 445.560 5.118 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 698830372 VHCMTNRAZQTSDT-HJPURHCSSA-N 433.524 5.106 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@@H](C#N)c1cc(F)cc(Br)c1 698871420 VKSYARGBUSBNAV-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]([C@](C)(C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)C1 698911475 QOJPIEQHMFSHJG-ZHRRBRCNSA-N 435.590 5.024 30 10 IKEE Cc1ccc(NN=C(C(=O)c2cccc3ccccc23)S(=O)(=O)c2ccccc2)cc1 725325561 WXGBAPBWMSPXKT-UHFFFAOYSA-N 428.513 5.230 30 10 IKEE CCOC(=O)[C@@H](C)Sc1n[nH]c(NN=Cc2ccc3ccc4cccc5ccc2c3c45)n1 1083849833 NRKNBMMCXZZPOH-CQSZACIVSA-N 443.532 5.192 30 10 IKEE COc1ccc(C=Nc2nc(-c3ccc(C)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 1083988439 JZLBBFILKBSVHA-UHFFFAOYSA-N 429.501 6.453 30 10 IKEE COc1ccc(C=Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c2ccccc12 1084001066 DZOZOVRNIHAZDC-UHFFFAOYSA-N 434.492 5.539 30 10 IKEE O=[N+]([O-])c1ccc(-c2sc(N=Cc3ccc(F)cc3)nc2-c2ccc(Cl)cc2)cc1 1084296801 LTFWFGCOYNIEQY-UHFFFAOYSA-N 437.883 6.928 30 10 IKEE COc1cccc(C=Nc2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)c1O 1084424410 CYHFEMNSZRPGDL-UHFFFAOYSA-N 431.473 5.850 30 10 IKEE CCCCCCN(CCCCCC)CN1C(=O)C(=Nc2ccc(CC)cc2)c2ccccc21 1084445596 MIKAPMMEXBHFOE-UHFFFAOYSA-N 447.667 7.137 30 10 IKEE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1C(=NNc1ccccc1)CCC2 1772751223 XNAZCNQXESWQFO-UHFFFAOYSA-N 427.426 6.012 30 10 IKEE CN(C(=O)c1cccc(C#N)c1)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cn1 1858261165 QMBYZISSMJVCMZ-UHFFFAOYSA-N 432.483 5.149 30 10 IKEE CCCCCCCCNC(=O)c1ccc2c(c1)C(=O)N(c1c(CC)cccc1CC)C2=O 1859454426 UFVPALSINYJTAV-UHFFFAOYSA-N 434.580 5.702 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2ccc(N(C)C)cc2)cc1 1862394148 CIDJFEJHEZTUNU-MHECFPHRSA-N 434.580 5.472 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@H]2c2ccc(C)cc2)cc1 1862429928 XWAFFBJTXBMZAI-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc([N+](=O)[O-])c1 1862448533 PHOSJCXHGBRCBM-LJQANCHMSA-N 428.872 5.017 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3c(F)cc(F)cc3F)[C@H]2c2ccccc2)cc1 1862456712 YBTFIMCDBBYMDU-JOCHJYFZSA-N 437.417 5.191 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1cccc(C)c1 1862465945 XUZMRJMZVWMFBU-LIRRHRJNSA-N 428.326 5.134 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2cc(Cl)cc(Cl)c2)cc1 1862481710 FGLWFPHVOWDPBS-FQEVSTJZSA-N 448.346 5.043 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@H]2c2ccccc2C)c1 1862489746 FNRGWWZHOVLLGO-DEOSSOPVSA-N 445.946 6.044 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(Cl)cc1 1862526203 CWYLUKOTBACEIR-SFHVURJKSA-N 448.744 5.337 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1cccc(OCCC)c1 1862596831 PWTFHKVCSBUQPI-QHCPKHFHSA-N 437.536 5.340 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(F)cc1 1862615633 LJMYQLUNRVOUAK-BSDZUQITSA-N 449.566 6.280 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(C(C)C)cc1 1862650794 DNGNPBQGBSHQFC-CJAUYULYSA-N 427.544 6.340 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862660643 LODSYPLWNMQGNZ-XMMPIXPASA-N 440.499 5.663 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CCCCCC2)c1 1862660896 RKKUGHALYBNZCU-RUZDIDTESA-N 431.576 6.420 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCc2ccc(F)cc2)cc1 1862673082 BQDCNFLTBZMIKN-HSZRJFAPSA-N 433.454 5.094 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C23CC4CC(CC(C4)C2)C3)cc1 1862674131 JZCHXBBCXSQBRI-RZNVFEIWSA-N 445.534 5.681 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)cc1 1862748788 JZHZJSOXQRNTNL-FQQGMQMYSA-N 448.519 5.314 30 10 IKEE CC(C)c1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccccc3F)C2=O)cc1 1862926219 BYMWAKDLCVEENB-UHFFFAOYSA-N 425.463 5.217 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3cccc4cccnc34)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1863029776 UNYFKECFIZIFOV-UHFFFAOYSA-N 444.494 5.120 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H](C)c2ccccc2)=C(c2ccc(F)cc2F)C1=O 1863661899 YBXSETLHKUJEEB-GOSISDBHSA-N 440.534 5.756 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N[C@@H](C)c1nc2ccccc2[nH]1 1866030026 UUQBKDIUCGACMB-QHCPKHFHSA-N 427.677 8.002 30 10 IKEE COc1ccc2c(c1)CCN(c1cc(Nc3cccc(C#N)c3)nc(C(C)(C)C)n1)[C@@H]2C 1868333667 QFIUMPCZRJBQRK-QGZVFWFLSA-N 427.552 5.522 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)c2ccc(Cl)c(Cl)c2)n(-c2ccc(C)cc2)n1 1870001142 QCTYAIPAUAEEGM-UHFFFAOYSA-N 442.350 5.313 30 10 IKEE CCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CSc1ccc(Cl)cc1 1870166431 UJKFCCHPKMORJF-UHFFFAOYSA-N 448.072 7.500 30 10 IKEE C#CCOc1cn(CCc2c[nH]c3ccccc23)c(CSc2ccc(Cl)cc2)cc1=O 1870299063 SIDKFESYSFCROS-UHFFFAOYSA-N 448.975 5.530 30 10 IKEE CCCCCCCOc1cn(CCc2c[nH]c3ccccc23)c(CN(CC)CC)cc1=O 1870410838 HWXRQLFWAVQCGR-UHFFFAOYSA-N 437.628 5.763 30 10 IKEE Cc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCc2ccc(F)cc2)C4)cc1 1871344354 FFKIUWGTPDDHEV-OYKKKHCWSA-N 429.491 5.453 30 10 IKEE CC(C)(C)Oc1ccccc1CN1COc2ccc3c(c2C1)O/C(=C\c1cccs1)C3=O 1871344925 JBCBLZAWYUKMFI-QRVIBDJDSA-N 447.556 5.894 30 10 IKEE COc1ccc(CC(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(C)c2)C3=O)cc1OC 1871374436 KHCXPAOEWIVSEO-OYKKKHCWSA-N 444.483 5.085 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc3c(c2C)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871374537 PPEUFAZLEUCZGJ-BDUSHXLBSA-N 440.495 5.714 30 10 IKEE Cc1cc(OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc2c1C(=O)/C(=C/c1ccccc1F)O2 1871381811 DWGYLZBPUKPHLP-YAWPGIFISA-N 445.402 5.277 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3cc(OCCCOc4ccccc4)ccc3C2=O)c1 1871397574 ZUEWMZGCUJRUDA-XYGWBWBKSA-N 432.472 5.168 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2)cc2c1C(=O)/C(=C/c1ccc(Cl)cc1)O2 1871404045 HJBZYKQIDWZHTG-GLFIFPSUSA-N 433.891 5.671 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(O[C@H](C)C(=O)Nc3ccccc3C)ccc2C1=O 1871404405 LGZDNBLQNHWQHX-SNNLMFDCSA-N 429.472 5.026 30 10 IKEE Cc1ccc(OCCOc2cc(C)c3c(c2)O/C(=C\c2c(F)cccc2Cl)C3=O)cc1 1871405893 LJEAAFHGKQVVIY-UCQKPKSFSA-N 438.882 6.170 30 10 IKEE C[C@H](Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O)C(=O)Nc1ccc(C#N)cc1 1871436131 NJESACYSNRGTIW-UTTMPJNWSA-N 436.467 5.137 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871454732 UOONBKHHVYZDKU-FYPXMSKISA-N 425.484 5.493 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccc(F)cc2)C3=O)c1C 1871459250 NRDAHJGZASPWNW-QRVIBDJDSA-N 431.463 5.385 30 10 IKEE CCCCCCCCN=c1nc(N(C)CCCC)[nH]c(=Nc2ccc(OC)c(Cl)c2)[nH]1 1871676865 HSNHROPMRCCTPG-UHFFFAOYSA-N 449.043 5.130 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(O)cc2)[nH]c(N(CCC)CCCC)n1 1871720257 UZADMXQEQDAOOG-UHFFFAOYSA-N 428.625 5.532 30 10 IKEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1cccs1 1871822872 XNALHNYZGZRTFQ-FQEVSTJZSA-N 434.627 5.075 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(C(C)C)cc1)c1ccccc1)S(=O)(=O)CCCC 1871844141 UELKVNQTSNSDRO-QHCPKHFHSA-N 428.598 5.108 30 10 IKEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1cccs1 1872019668 YPIFVZVEFABVEA-IBGZPJMESA-N 434.627 5.030 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccccc1)c1ccccc1)S(=O)(=O)c1c(C)cc(C)cc1C 1872138044 LKBDAJIMZZRRLH-DEOSSOPVSA-N 448.588 5.169 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ccc(Cl)cc3)n2)c2ccccc12 1872788458 IWNJBVCDZFCILV-NRFANRHFSA-N 446.959 6.434 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2C#N)=C(c2cccc(OC)c2)C1=O 1873218336 ILTQJMFHGDDJFK-UHFFFAOYSA-N 431.536 5.119 30 10 IKEE CCCCCCN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2c(Cl)cccc2Cl)C1=O 1873290949 HAEFFKOZHBKAML-UHFFFAOYSA-N 442.346 5.637 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C(C)(C)C)c2)cc2c(N3CCCCCC3)ncnc21 1873655820 XVJOTYQYMRLFPO-UHFFFAOYSA-N 431.584 5.548 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(N(CC)CC)cc2C)cc2c(N(C)CCCC)ncnc21 1873665433 PANDLIRQFQTYFC-UHFFFAOYSA-N 448.615 5.261 30 10 IKEE C=C(C)CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccccc1 1874217855 XMAAYBFRRITLEB-WYMPLXKRSA-N 426.973 5.678 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(OC)cc2)n1/N=C/c1ccc(Cl)cc1 1874221335 GHNBPIGIPXPYQX-LFVJCYFKSA-N 442.972 5.112 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2ccccc2)n1/N=C/c1cccc(F)c1 1874299862 WXAVQENZQPASPW-JFLMPSFJSA-N 446.551 5.788 30 10 IKEE Cc1ccc(OCc2nnc(SCCc3ccccc3)n2/N=C/c2ccccc2)c(C)c1 1874327822 IQABWOGDMKUJMC-OVVQPSECSA-N 442.588 5.691 30 10 IKEE Clc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2/N=C/c2ccc[nH]2)cc1 1874343644 ARHAHPWWTQWXFQ-DHRITJCHSA-N 442.375 5.678 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3F)n2/N=C/c2ccccn2)c1 1874375714 JZGKGHHHSRQYAQ-JFLMPSFJSA-N 431.540 5.194 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2cccc(F)c2)c1 1874426642 RNAOSQOPIIIUES-CVKSISIWSA-N 445.523 5.006 30 10 IKEE C=CCSc1nnc(CCCC)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1874479143 KWGMSTPERHMEAW-PCLIKHOPSA-N 441.000 6.013 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874483158 HMAJKROCWSRORE-RPPGKUMJSA-N 436.478 5.908 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c1OCc1cccc(C)c1 1874570224 SKXLMCOFGZKPKM-VHEBQXMUSA-N 434.535 7.146 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccc(C)c(C)c2)cc1OC 1874571888 LKEICDCDBLMPRZ-JLHYYAGUSA-N 445.515 5.234 30 10 IKEE Cc1cccc(COc2ccc(Br)cc2/C=C/C(=O)c2ccc(F)cc2F)c1 1874576788 GJOMXSOSKXZWHR-WEVVVXLNSA-N 443.287 6.511 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2c(C)cccc2C)cc1 1874579286 GOUPYOFBUVRCAJ-ACCUITESSA-N 433.935 6.179 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCc3cccc(F)c3)ccc3ccccc23)c(C)c1C 1874586619 WHQAUMABHKXHHQ-WYMLVPIESA-N 440.514 7.079 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2cccc(C)c2C)c(OC)c1 1874587788 DVMQKCCGUCJPPG-NTCAYCPXSA-N 445.515 5.234 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)ccc1OCc1cccc(Cl)c1 1874606904 MLCSXJOLAJHCAH-DHZHZOJOSA-N 436.935 6.531 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc(OC)c1OCCc1ccccc1 1874607191 VUYBKNCBRBTEBN-WYMLVPIESA-N 442.555 6.258 30 10 IKEE Cc1cccc(COc2ccc(/C=C/C(=O)c3ccccc3Cl)cc2Br)c1 1874608907 NEXHANWJGUBPJA-PKNBQFBNSA-N 441.752 6.886 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1 1874615649 JMHVDAWZCRLPDX-KPKJPENVSA-N 434.363 5.917 30 10 IKEE CCN(CC)C(=O)COc1c(Cl)cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OC 1874634242 RQESMFGXNOLRFQ-MDZDMXLPSA-N 443.971 5.417 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OCc2ccc(C)cc2)c(Cl)c1 1874639254 QBXNNKFZOLFKRO-JXMROGBWSA-N 427.327 6.786 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)Cc1cc(C)ccc1C 1874693110 NOTQQGDEVIAYEA-PKNBQFBNSA-N 445.471 5.264 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1)c1ccccc1Cl 1874696579 GSYDYZUABULHKS-DHZHZOJOSA-N 442.254 6.017 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1OC(=O)c1ccc(F)cc1 1874706161 SKEADQIKCLIBPS-PJQLUOCWSA-N 432.491 6.247 30 10 IKEE C[C@H](C(=O)Oc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1)c1ccccc1 1875080769 SBXDWXRVHLBDJS-AMUNLKFJSA-N 432.519 6.959 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC(=O)CCCSC 1875117999 ZLIWBWOLAMANII-BJMVGYQFSA-N 449.912 5.202 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC(=O)c1ccc(N(C)C)cc1 1875122593 QFNUJEOMWBCNBB-UUILKARUSA-N 437.442 5.155 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)Cc1ccccc1Cl 1875127767 WZFDIDNHPRXQCO-OUKQBFOZSA-N 436.891 5.401 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])cc1OC 1875135977 QWWMJTZJRPOZOF-IZZDOVSWSA-N 447.443 5.036 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(Cl)c(C)c3)cc2)c1 1875137996 MBUZIOSKKFVYOE-MDWZMJQESA-N 434.919 6.146 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)c1cccc(F)c1 1875142569 JIYAFINPJSRTAI-FMIVXFBMSA-N 448.465 6.126 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 1875151004 PPIKHNNJMKLZSB-RMKNXTFCSA-N 437.448 5.095 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)c(C)c3)c([N+](=O)[O-])c2)cc1C 1875174974 SCCIXOVBBAFIDA-UXBLZVDNSA-N 447.462 5.703 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc([N+](=O)[O-])c1OC(=O)c1ccco1 1875175134 ZVWWSHHMZLXSED-CSKARUKUSA-N 435.432 5.319 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3cc(C)c(OC)cc3C)cc2)cc1 1875186916 NLIDZADKIIJPEE-XNTDXEJSSA-N 444.527 5.755 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)c1ccccc1 1875190507 KFHBBAZRLRLZIJ-YRNVUSSQSA-N 427.283 6.117 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 1922087181 WTFKPCXXEXYXRM-RUZDIDTESA-N 436.596 5.751 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1cccc2c1CCN(C(=O)OC(C)(C)C)C2 1922113676 SXWIBNOIDPGVMA-RUZDIDTESA-N 436.596 5.403 30 10 IKEE CC(C)[C@H]1C[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)CN1Cc1ccccc1 1928646830 WBURDEUBNRHRGD-SQHAQQRYSA-N 433.596 5.617 30 10 IKEE CC(C)N(C(=O)OC(C)(C)C)[C@@H](C#N)c1c(Br)cccc1Br 1931397655 JSVLWWTUEOTMOW-ZDUSSCGKSA-N 432.156 5.422 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](CSCCC)NC(=O)OC(C)(C)C 1975728423 KLSXNPDBVUHOKZ-VXKWHMMOSA-N 436.662 5.164 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C12CC2 2016360231 XAPOGXBXPLSEQY-XMMPIXPASA-N 427.545 5.254 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)c(F)c3)=C(O)C(=O)N2Cc2cccs2)s1 2033813197 KPJKUUZSHBNEEV-GOSISDBHSA-N 431.485 5.175 30 10 IKEE CCCCCCCCC[C@@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCC 2035465411 QEIANOJLWVYZNU-DQEYMECFSA-N 448.692 6.605 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(Cl)ccc(Br)c1F 2063089899 GRHZNFNATOXWQI-CJNGLKHVSA-N 435.765 5.362 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Cl)c(Br)c1F 2063095940 XQQZVSUGAPWWMN-XJKSGUPXSA-N 435.765 5.362 30 10 IKEE COc1ccc([C@@H](C(C)C)n2nc(C3CCC3)c(C#N)c2I)cc1C 2079971975 OLJBSKNILUIWCW-LJQANCHMSA-N 449.336 5.189 30 10 IKEE COc1ccc(Br)c(-c2cc(Cl)n3nc(C4CCCC4)c(C#N)c3n2)c1 2081394594 JEYHXOHCCIMRGG-UHFFFAOYSA-N 431.721 5.350 30 10 IKEE COc1c2c(nc3c(-c4cc(F)cc(C(F)(F)F)c4)c(C(F)(F)F)nn13)CCCCC2 2081468855 OKJYGCYIQOBORY-UHFFFAOYSA-N 447.354 5.851 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CN(Cc3ccccc3)[C@@]3(CCOC3)C2)cc1 2100065899 CLUJLAFRZRVOCM-SVBPBHIXSA-N 447.579 5.064 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(Cl)cccc1Br 2102881388 ZOJPJJIOUNPNQA-WMZOPIPTSA-N 443.813 5.450 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CC[C@H](Nc3ccc(C#N)c(Br)c3)C2)CC1 2155283682 HEINMZPHFSAXHZ-KRWDZBQOSA-N 434.378 5.302 30 10 IKEE CN(Cc1cccc(CNc2cc(Br)ccc2C#N)c1)C(=O)OC(C)(C)C 2162326946 KAPMHKFHPYUZGW-UHFFFAOYSA-N 430.346 5.300 30 10 IKEE CN(Cc1ccccc1CNc1cc(Br)ccc1C#N)C(=O)OC(C)(C)C 2162379046 FOFAXZBVQJHSFR-UHFFFAOYSA-N 430.346 5.300 30 10 IKEE CCCN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(C#N)cc1Br 2174814339 HBJNTRPTGPEIBB-QGZVFWFLSA-N 436.394 5.184 30 10 IKEE Cc1cc(Br)c(C(=O)N(CC#N)C2CCCC2)cc1NC(=O)OC(C)(C)C 2181046373 KRIZQCLLSLBADJ-UHFFFAOYSA-N 436.350 5.013 30 10 IKEE COc1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)ccc1Br 2192145093 VOQZKIBXCNJYBE-GOSISDBHSA-N 437.378 5.982 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(F)c(Br)c(F)c1 2207151654 QWJCPMQRFVTGPI-FUHWJXTLSA-N 447.364 5.628 30 10 IKEE CCCCCCCC[C@@H](CO)N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CCC1 2211048276 HPCWABMEANPINM-QHCPKHFHSA-N 449.635 6.902 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)[C@H](CC=C(C)C)NC(=O)OC(C)(C)C 2235723708 LLXXGJWXNPDJJY-UXHICEINSA-N 435.406 5.028 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)C[C@@H](CC)CNC(=O)OC(C)(C)C 2235747042 MXZSJGOEHTZAEW-IEBWSBKVSA-N 437.422 5.110 30 10 IKEE Cc1cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)s1 2241486365 NSNZDOAXAAJAHW-UHFFFAOYSA-N 447.409 5.198 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@H](O)c1cc(Br)cc(C(C)C)c1 2280661023 PHYDTYVYDFQRTA-XZOQPEGZSA-N 432.402 5.357 30 10 IKEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)Nc1ccccc1OCc1ccccc1 2282118394 DCYRLJKVHRTWGZ-UHFFFAOYSA-N 443.352 5.126 30 10 IKEE Cc1cc(C)c2nc(N3C(=O)C(=O)C(=C(O)c4cccs4)[C@@H]3c3ccccc3)sc2c1 2296091358 LLWBFZLYYIWVKT-FQEVSTJZSA-N 446.553 5.601 30 10 IKEE C#Cc1ccc(C(c2ccc(C#C)cc2)C(c2ccc(C#C)cc2)c2ccc(C#C)cc2)cc1 2297749096 ZPPOPNORQUWDDM-UHFFFAOYSA-N 430.550 6.576 30 10 IKEE O=C1NC(=Nc2ccc(O)cc2)C(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)S1 2314482349 ILXCZUWCKSUEEU-UHFFFAOYSA-N 431.300 6.487 30 10 IKEE Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)C=Cc3ccc(Cl)cc3)cc(C)c2c1 2320450712 ILOZCZJNMJZLIR-UHFFFAOYSA-N 441.922 5.523 30 10 IKEE N#Cc1nc(-c2ccccc2)oc1NN=Cc1ccccc1OCc1ccccc1Cl 2320833973 NVBAWLMVTAEUAX-UHFFFAOYSA-N 428.879 5.892 30 10 IKEE CC1(C)CC(CS)(COc2cc(Br)cc(I)c2)C1 2321756507 GMROKDYIDVVMAD-UHFFFAOYSA-N 441.172 5.169 30 10 IKEE CCCCCN1COc2ccc3c(c2C1)OC(=Cc1cn(C)c2ccc(OC)cc12)C3=O 2322051061 ZSBCYXTYJXMZLI-UHFFFAOYSA-N 432.520 5.145 30 10 IKEE CCN(CC)CCCCN1COc2c(cc3c(c2C)OC(=Cc2cccc(C)c2)C3=O)C1 2322390886 YTWXJMZNXLMFJN-UHFFFAOYSA-N 434.580 5.194 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCc2cccc(F)c2)cc1 2322455502 ULBOSGXQIXIZMS-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE COc1ccccc1C(=O)C=Cc1cccc(OC)c1OCc1c(Cl)cccc1Cl 2322485610 VPWHPBKSCGSSCS-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE Cc1cc(C(=O)C=Cc2c(OCc3ccccc3Cl)ccc3ccccc23)ccc1F 2322630797 DROWMQWGZKDLEF-UHFFFAOYSA-N 430.906 7.416 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)cc1C 2322894459 XPMYUCYJWWFFMU-UHFFFAOYSA-N 445.773 7.739 30 10 IKEE CCc1ccccc1NC(=O)COc1ccccc1C=CC(=O)c1cc(C)c(OC)cc1C 2322981323 QUICTZAUJFZAPJ-UHFFFAOYSA-N 443.543 5.788 30 10 IKEE Cc1cc(OC(=O)CCCOc2ccccc2)cc2c1C(=O)C(=Cc1ccccc1F)O2 2323177902 HPBLYIXGSKVBTL-UHFFFAOYSA-N 432.447 5.515 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OC(=O)Cc3ccccc3[N+](=O)[O-])cc(C)c2C1=O 2323396146 YSDUEYAOAZQARO-UHFFFAOYSA-N 435.457 5.037 30 10 IKEE CCCCCCCCCOc1ccc(C=NS(=O)(=O)c2ccc(C)cc2)cc1Cl 2323446909 XHZBNRNYTPCJEU-UHFFFAOYSA-N 436.017 6.586 30 10 IKEE Cc1c(OC(=O)C=Cc2cccs2)ccc2c1OC(=Cc1ccc3c(c1)OCO3)C2=O 2323519135 OYLLMZZKCSVVDK-UHFFFAOYSA-N 432.453 5.020 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3C)cc2)cc1 2323536451 YCCSSIUPEWXFRI-UHFFFAOYSA-N 427.544 6.251 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCc3cc(C)ccc3C)c(OC)c2)cc1 2323557241 ORRUQMHJQOWIBO-UHFFFAOYSA-N 428.572 7.130 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(OC(=O)C=Cc3ccc([N+](=O)[O-])cc3)c2C)C1=O 2323601949 MHVXTDUDUDVFNU-UHFFFAOYSA-N 447.468 5.508 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)cc1 2323628383 ABWNDUSRJZLGSA-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2OC)cc(OC)c1OCc1ccc(C)cc1 2324010258 OXYJBTCMPVDGQE-UHFFFAOYSA-N 442.555 6.524 30 10 IKEE O=C1C(=Cc2ccc(-c3ccccc3)cc2)Oc2c1ccc(O)c2CN1CCCCCC1 2324069975 ZGDBCTJTWUCVFS-UHFFFAOYSA-N 425.528 6.051 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)c(C)c1C 2324297900 MQJJBQKZRQNEPC-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2cccc(C)c2)C3=O)cc1 2324378389 BIJUWURPKCKCAZ-IBGZPJMESA-N 427.500 5.634 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccccc2F)C3=O)c1 2324455970 CODHDFFQFZJPPK-GOSISDBHSA-N 445.490 5.773 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OC 2324456177 LBSIVSDQWGFIDZ-UHFFFAOYSA-N 443.543 5.788 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2F)C3=O)c(C)c1 2324494529 WTKSVFWDCNQBBJ-GOSISDBHSA-N 445.490 5.773 30 10 IKEE Cc1ccc(OCCOc2cc(C)c3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)cc1 2324538516 BPBUKOIHTGNVMX-UHFFFAOYSA-N 431.444 5.286 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3c(F)cccc3Cl)cc2)c2ccccc12 2324673147 DMMNZKJQOSJUPN-UHFFFAOYSA-N 446.905 7.116 30 10 IKEE CCOC(COc1cc(C)c2c(c1)OC(=Cc1ccc(Br)cc1)C2=O)OCC 2324741617 ZZDMAPKWRNNJGL-UHFFFAOYSA-N 447.325 5.152 30 10 IKEE COC(=O)c1cccc(COc2ccc3c(c2C)OC(=Cc2cccc(Cl)c2)C3=O)c1 2324748338 SPQOVNNQTBQFRQ-UHFFFAOYSA-N 434.875 5.630 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(Cc2ccccc2)n1N=Cc1ccco1 2325490413 MUYFCDCTXDAQNI-UHFFFAOYSA-N 443.359 5.943 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1OC(=O)c1ccccc1F 2325708461 WHNIQHCRLRBHTN-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccc(Cl)cc3C)cc(C)c2C1=O 2325716717 LCOUKWFGRUXQEA-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc(OCC(=O)Nc3cc(C)cc(C)c3)c2C)C1=O 2325721879 ZKPFJLYPEMIEMT-UHFFFAOYSA-N 443.499 5.254 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)Cc2ccc(C)c(C)c2)c1 2325763852 DFSVVBQZHDULSB-UHFFFAOYSA-N 448.946 6.318 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccccc1C 2326074829 FTQBMFOSQJZGEA-UHFFFAOYSA-N 428.989 5.636 30 10 IKEE CCSc1nnc(CCCOc2ccc(OC)cc2)n1N=Cc1c(F)cccc1Cl 2326269426 XOXPPFUBPWPGKH-UHFFFAOYSA-N 448.951 5.085 30 10 IKEE CCCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1ccccc1OC 2326331623 CQSYCCOJDAYLQL-UHFFFAOYSA-N 436.625 6.101 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCCC)n1N=Cc1ccccc1Cl 2326474168 MUOOJYXCTZHJBJ-UHFFFAOYSA-N 442.972 5.460 30 10 IKEE C=C(C)CSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1cccc(OCC)c1 2328156026 RERKYUNCGDDUKE-UHFFFAOYSA-N 440.657 6.691 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccco1 2328553087 XFPYETSSZWOUCH-UHFFFAOYSA-N 436.512 5.381 30 10 IKEE Cc1ccc(CCc2nnc(SCCc3ccccc3)n2N=Cc2ccco2)cc1C 2328957773 LNYJTXBAFBWZQY-UHFFFAOYSA-N 430.577 5.490 30 10 IKEE COc1cc(C=Nn2c(SCc3cccc(F)c3)nnc2-c2cccs2)ccc1O 2330556431 OYOIEPHDSXWDRS-UHFFFAOYSA-N 440.525 5.034 30 10 IKEE O=[N+]([O-])c1ccc(C=Nn2c(SCCc3ccccc3)nnc2-c2cccs2)cc1 2330586539 OJKILFOEHZAREO-UHFFFAOYSA-N 435.534 5.132 30 10 IKEE Cc1cc(C(=O)Oc2ccc(C=CC(=O)c3ccc4ccccc4c3)cc2)ccc1[N+](=O)[O-] 2330653548 KVCDYTXWIMUMFP-UHFFFAOYSA-N 437.451 6.172 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3cncc(C)c3)c(OC)c2)c1 2330774530 BXXOOSQYMIOIPV-UHFFFAOYSA-N 437.879 5.176 30 10 IKEE Cc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCC(=O)Nc2cccc(C)c2C)cc1 2330810415 JYVGYPHBGZJCDT-UHFFFAOYSA-N 449.624 5.405 30 10 IKEE CC(C)(C)Cc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(O)cc1O 2330884499 YNTWWFMLHDOYMA-UHFFFAOYSA-N 448.951 5.245 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)Cc1ccc(Cl)cc1 2331182802 PNTRMAHJIAQMCM-UHFFFAOYSA-N 446.930 6.121 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3OC)cc2[N+](=O)[O-])cc1 2331362251 OCMFNZBZMMXXCC-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)C(C)(C)C)c(Br)c2)c1 2331386758 LHEPGBPJJFCTBB-UHFFFAOYSA-N 447.325 5.314 30 10 IKEE CCCCOc1ccc(C=Nn2c(CC(C)C)nnc2SCCc2ccccc2)cc1 2331459196 XRTHOYUHZQRZHV-UHFFFAOYSA-N 436.625 5.873 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3F)c(Cl)c2)cc1 2331496266 DTDWVAHYPIOQPE-UHFFFAOYSA-N 440.873 6.857 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)c1cccs1 2331554790 SJLXAHZQJXVZLO-UHFFFAOYSA-N 434.847 5.804 30 10 IKEE CCCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1N=Cc1ccccc1Cl 2331639519 LUZKVOJFIALJPD-UHFFFAOYSA-N 441.988 5.114 30 10 IKEE C=CCSc1nnc(C(C)C)n1N=Cc1c(OCc2ccccc2)ccc2ccccc12 2331704923 ZNXYQTAVBUJLFE-UHFFFAOYSA-N 442.588 6.294 30 10 IKEE COc1cc(C=Nn2c(SC)nnc2C2CC2)ccc1OCc1ccc(Cl)cc1 2331716676 XSWVPDZNTXEXQW-UHFFFAOYSA-N 428.945 5.001 30 10 IKEE Cc1cc(-n2nnc(C#N)c2NC(=O)C=Cc2ccc(Cl)cc2Cl)ccc1Cl 2332187635 WHDUBHKYGXDROW-UHFFFAOYSA-N 432.698 5.060 30 10 IKEE Cc1ccccc1-c1ccc(-n2nnc(C#N)c2NC(=O)C=Cc2ccccc2Cl)cc1 2332188902 PCYVPIRDOHWVPP-UHFFFAOYSA-N 439.906 5.420 30 10 IKEE N#Cc1cc(Br)ccc1OCc1ccc(Cl)c(I)c1 2337275732 YOINKHVZYWLFGL-UHFFFAOYSA-N 448.485 5.158 30 10 IKEE CCc1cc(Br)ccc1Nc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2364845577 AIYHWOJNTYLSMG-UHFFFAOYSA-N 437.574 5.103 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(Nc2cccc(Br)c2)[C@@H]1C(F)(F)F 2370240396 LNIYQMRWWUXDJI-RHSMWYFYSA-N 448.283 5.085 30 10 IKEE COc1cc(Cl)cc(/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)c1O 1882813 SZVUSUBQCFYEGN-KIBLKLHPSA-N 447.705 6.920 30 10 IKEE Cc1ccc(CN2C(=O)/C(=N\NC(=S)Nc3c(C)cc(C)cc3C)c3ccccc32)cc1 3041265 NNHBPTMSDLALAK-COOPMVRXSA-N 442.588 5.158 30 10 IKEE CCCCCCCCCCCCCCNc1c2c(nc3ccccc13)CC(C)(C)CC2=O 8453857 ZGUUWQAJJCXSKT-UHFFFAOYSA-N 436.684 8.503 30 10 IKEE Cc1ccccc1C(=O)[C@@H]1[C@H](c2ccccc2)C(C#N)(C#N)[C@H]2C=Cc3cc(Cl)ccc3N12 8809677 KGUGLYDUGZOWPB-ZNZIZOMTSA-N 449.941 5.933 30 10 IKEE C=CCOc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccccc2Cl)cc1 20892383 BBCGQJBABSMVJK-NRFANRHFSA-N 425.941 5.174 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(O)c2)cc1 21229194 QGVODNOAAAPHNC-PIIWDFAUSA-N 440.543 6.161 30 10 IKEE COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccc(C)cc2)cc1OC 28052517 HUMNHWCCBPONDM-KOSHJBKYSA-N 430.504 5.267 30 10 IKEE Cc1c(OC(=O)c2ccc(C(C)(C)C)cc2)ccc2c1O/C(=C\C=C\c1ccccc1)C2=O 41288498 QYZXURLLAMSRAC-OHWIZXHISA-N 438.523 6.684 30 10 IKEE C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2/C=N/c2ccc3c(c2)oc2ccccc23)[C@H](C)C1 59500157 MYJMTEJTKDRHMF-HHXWMCGKSA-N 427.504 6.870 30 10 IKEE Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)/C=C/C=C\c1ccc(N(C)C)cc1 98025144 FOGDMDKUICLTOJ-XGXWUAJZSA-N 442.506 6.656 30 10 IKEE CCCCCCCOc1ccc(NC(=S)NC(=O)c2cccc(OCCC)c2)cc1 100174027 DKEYACHHUGASPB-UHFFFAOYSA-N 428.598 5.951 30 10 IKEE C=CCOc1cccc(NC(=S)NC(=O)c2ccc(OCCCCCCC)cc2)c1 100224349 ZLIHNKFTFQRWJS-UHFFFAOYSA-N 426.582 5.727 30 10 IKEE Cc1ccc(C(=O)O/N=C2\C[C@@]3(C(=O)Nc4ccccc4[N+](=O)[O-])CC[C@@]2(C)C3(C)C)cc1 100965621 JCSLHBGXGIZUBP-OUIYBEPVSA-N 449.507 5.271 30 10 IKEE CCCCCCCCn1c(CNC(=O)c2cccc(Br)c2)nc2ccccc21 102218973 OYYKCUUDGXJSTB-UHFFFAOYSA-N 442.401 6.089 30 10 IKEE Cc1cc(N2C(=O)C(=O)/C(=C(\O)c3ccc(Cl)cc3)[C@@H]2c2ccc(C(C)C)cc2)no1 102709960 CIASECJJAFKZNO-AGGMBTAESA-N 436.895 5.386 30 10 IKEE CCCCCCCCOc1ccc([C@@H]2SCC(=O)N2c2ccc(C)c(Cl)c2)cc1 102739129 GVESSIJGULWZFX-DEOSSOPVSA-N 432.029 7.166 30 10 IKEE COc1cc(/C=N\n2cnnc2SCc2ccccc2)ccc1OCc1ccc(C)cc1 138215247 WTTBXUCLBMGVSP-DICXZTSXSA-N 444.560 5.349 30 10 IKEE CCCN1C(=S)N[C@H](c2cccc(Oc3ccccc3)c2)C(C(=O)c2ccccc2)=C1C 169928910 JVAIJFAPCBZLSS-RUZDIDTESA-N 442.584 6.277 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(Oc3cc(C)ccc3C)cc2)NC(=S)N1C 169935252 CMBHOAOSERSRKI-VWLOTQADSA-N 442.584 6.114 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2ccccc2)c1 170052348 CJHHSSUCNHQMQC-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)cc2)cc1C 170059111 SPTRWRNIFDRWLH-QFIPXVFZSA-N 432.907 5.130 30 10 IKEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(Cl)cc1 170060148 GZRGAAWDNWTZNB-QHCPKHFHSA-N 448.950 5.023 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1)c1cccc(Cl)c1 170062830 ZTIALOOZRONOQJ-FQEVSTJZSA-N 442.273 5.915 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccs2)c1 170153858 XEMNRPZZQGVTLF-OAQYLSRUSA-N 431.469 5.286 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@@H]1c1ccccn1 170172337 RJOUMUJWFIIJPJ-HSZRJFAPSA-N 442.515 5.107 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccccn2)cc1 170173599 ATKXKBMVXRQCCW-QFIPXVFZSA-N 448.906 5.305 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@H]1c1ccncc1 170210951 XUJWFFGMGYLEKS-JOCHJYFZSA-N 436.552 5.156 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@H]1c1cccc(OCC)c1 170217853 YKUVARJPFYZMET-HSZRJFAPSA-N 437.536 5.089 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccccc1 170223142 QRZNUTFBWAYRHU-QFIPXVFZSA-N 435.426 5.065 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCCC)c2)[C@@H]1c1c[nH]c2ccccc12 170255949 YKKGWIHGNQEDHY-DEOSSOPVSA-N 446.547 5.725 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccc(O)c2)c1 170258560 GRYBRUSPFOPIOT-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)cc(Cl)c2OC)[C@H]1c1ccc(CC)cc1 170267885 OVOFZVXJXCXTMZ-LJQANCHMSA-N 448.346 5.553 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)cc(Cl)c2OC)[C@@H]1c1ccccc1C 170276987 KAOULWNYULGGQM-SFHVURJKSA-N 434.319 5.299 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccco2)c1 170281903 DSMQJJLRGQUKIB-NRFANRHFSA-N 439.414 5.128 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@@H]1c1ccco1)c1cccc(Cl)c1 170287257 SNXKTPALBVHINF-JOCHJYFZSA-N 429.859 5.869 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(OCc2ccccc2)cc1 170437924 MWXBIXHYGFYDTB-XMMPIXPASA-N 441.527 5.781 30 10 IKEE N#C[C@@H](C(=O)c1cc(Br)sc1Br)c1c(F)cccc1Cl 236152811 VOOYSKJBKDOVPZ-SSDOTTSWSA-N 437.515 5.556 30 10 IKEE C=C(C)CN=c1scc(-c2ccc([N+](=O)[O-])cc2)n1N=Cc1ccc(N(CC)CC)cc1 254398900 NMUIGYDLTSKBFA-UHFFFAOYSA-N 449.580 5.330 30 10 IKEE CCOc1ccc(N=c2scc(-c3ccc(Cl)s3)n2N=Cc2ccc(C)o2)cc1 254622590 DRIJENKEELXMFB-UHFFFAOYSA-N 443.981 6.346 30 10 IKEE CCCCCCC[C@H](NCCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 406866220 IPJOFOTVGOQZNR-FQEVSTJZSA-N 441.454 7.197 30 10 IKEE CCCOc1cccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 526488290 HFLNNFNYPCDRBB-DEOSSOPVSA-N 428.463 5.543 30 10 IKEE CCCCOc1cccc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2ccccc2C#N)c1 526606218 JDBUASMDAGLBQJ-QHCPKHFHSA-N 430.529 5.856 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2ccc(Cl)cc2Cl)[C@@H]1c1cccs1 526608882 PDMFDUAYFJGAPH-IBGZPJMESA-N 427.312 5.984 30 10 IKEE CCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1ccc(C(F)(F)F)cc1 526805583 LWGUHCDVVMIGOK-VYYCAZPPSA-N 446.542 6.331 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccc(C(C)(C)C)cc1 526808091 IPSFIYSGACYQAT-QQXSKIMKSA-N 441.044 6.746 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1cn(CC)c2ccccc12 526811279 GTRHABRZSCXRDY-QFEZKATASA-N 438.000 6.033 30 10 IKEE COc1ccc(/C=N\n2c(C)nnc2SCc2c(Cl)cccc2Cl)c(OC)c1 526814042 JDUOCBYLHKFVKM-YVNNLAQVSA-N 437.352 5.085 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1c(O)ccc2ccccc12 526817396 KUBOCZMLZOOUTE-ROTLSHHCSA-N 440.931 5.666 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1cn(CC)c2ccccc12 526821471 URNAIUVHNQBRPL-YUMHPJSZSA-N 439.588 6.143 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)/C=C/c3cccc(F)c3)C2)c1 586005085 KJNXPXJVXZGFHT-XIQMRYHBSA-N 449.570 5.098 30 10 IKEE C=CCCN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(Cl)ccc1OC 586155316 PDCCYPWSCLJTKZ-UHFFFAOYSA-N 433.879 5.134 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@@]1(C#N)CCOc2ccc(Br)cc21 698369404 IMBQTBDEVITENQ-OAQYLSRUSA-N 429.314 5.392 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@H](C#N)c1c(F)cccc1Br 698883271 BYMZDCQHPIABEX-HNNXBMFYSA-N 425.323 5.652 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2cccc(I)c2)cc1 698982470 AMRFZWQRVODNPE-SFHVURJKSA-N 448.304 5.606 30 10 IKEE Clc1ccccc1COc1ccccc1C=NNc1nc(SC2CCCC2)n[nH]1 1083914697 NMLUWTUHBCZXCL-UHFFFAOYSA-N 427.961 5.518 30 10 IKEE Cc1cccc(OCCSc2nc3ccc(N=Cc4cccc([N+](=O)[O-])c4)cc3s2)c1 1084113900 ADOJVXFSLRBOCM-UHFFFAOYSA-N 449.557 6.435 30 10 IKEE C#CCOC(=O)/C=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 1084546479 CCKGAOHTUAAOHH-YWEYNIOJSA-N 440.120 5.525 30 10 IKEE C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@@]2(C)[C@@H]1CCc1ccoc1CN1CCCCC1 1565535482 FSLAVQGJZYEXIY-LWGQKRLESA-N 427.629 6.150 30 10 IKEE O=C1N=C(NN=Cc2ccccc2)S/C1=C/c1ccc(-c2c(Cl)cccc2Cl)o1 1772724260 QDGWGRLMLCFNSK-VZBJGXFGSA-N 442.327 5.847 30 10 IKEE C/C(=C1/SC(=Nc2nc(C)cs2)N(C2CCCCC2)C1=O)c1ccc([N+](=O)[O-])cc1 1772739121 PSJSRLSKDIZYRB-MUPZJUBSSA-N 442.566 5.687 30 10 IKEE Fc1ccc(NC(=S)N/N=C\c2cn(-c3ccccc3F)nc2-c2cccs2)cc1 1857811102 XHAAOKPLXQTLLQ-MSXFZWOLSA-N 439.516 5.200 30 10 IKEE C=CCN(CC=C)C(=O)Oc1cccc2c(NC(=O)COc3cccc(OC)c3)cccc12 1858947829 LXTIPNJYCWDJOQ-UHFFFAOYSA-N 446.503 5.039 30 10 IKEE Cc1ccc(OCCCCSc2nc(O)c(C#N)c(-c3ccccc3Cl)n2)cc1 1860824994 HRVOYQLAXDKVNG-UHFFFAOYSA-N 425.941 5.634 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)Cc1ccccc1 1861137220 YKPTYWWXBARMKI-VWLOTQADSA-N 440.603 5.353 30 10 IKEE CCCCCCCCNC(=O)[C@](C)(CC)NC(=O)CCCOc1ccccc1Cl 1861706805 PUBKACQQNINXGE-QHCPKHFHSA-N 425.013 5.261 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)c1cc([N+](=O)[O-])ccc1Cl 1861834890 DMJPHFWSMMZUMT-LJQANCHMSA-N 425.957 5.014 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(C(C)C)cc1 1862381279 WKVZABKZOQYUHJ-HXUWFJFHSA-N 432.347 6.105 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1cccc(OC)c1 1862402440 YOLFWIAELSEXHN-HSZRJFAPSA-N 437.536 5.171 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1cccc(C)c1 1862411478 IQPVIAVFQFEKOF-JOCHJYFZSA-N 443.490 5.058 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(Br)cc1 1862438275 KLWWCIBPBVBGIN-KZULUSFZSA-N 448.744 5.479 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(C)c1 1862442113 GLSBZYYDIWQQAT-QHCPKHFHSA-N 439.983 6.587 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1F 1862445851 FRYOTKWNSQFGJI-YIILKADPSA-N 445.893 5.775 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccccc2C)cc1 1862475318 ISUAFDMHOFFFPQ-DEOSSOPVSA-N 429.491 5.264 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCC(C)C)cc1 1862495045 JUZUWBRIIKLVHG-XMMPIXPASA-N 435.564 5.717 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1cccc(OCCC)c1 1862537021 MPNNZOAARMXWCC-VWLOTQADSA-N 449.591 6.196 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 1862619527 XIOCUQTVNPYBIF-QVKFZJNVSA-N 436.508 5.269 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(Cl)c2)cc1F 1862641181 PVWHNAXOGBTZHF-HXUWFJFHSA-N 429.875 5.009 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccc(O)c1 1862661690 FLAXJTPCJARMJS-RDGATRHJSA-N 449.591 6.453 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc(O)cc2)cc1 1862663961 YZXMQENDDAETDU-CUHUQNRHSA-N 433.548 5.673 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)cc1 1862678836 SPTOXYGHKQRLBN-CUHUQNRHSA-N 435.539 6.106 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1c(Cl)cccc1Cl)c1ccc(F)cc1 1862683281 OOMWTEMBRLCOJL-LJQANCHMSA-N 434.294 5.653 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc(Cl)c1 1862689141 JCLGWMGQCGOJJF-OAQYLSRUSA-N 427.928 5.507 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(F)cc2F)c1 1862700418 FTGHNCTYORKQRD-JOCHJYFZSA-N 441.474 5.275 30 10 IKEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@@H]2c2ccc(F)cc2)cc1 1862731944 BAYAHJYMXHDSEB-HSZRJFAPSA-N 439.527 5.773 30 10 IKEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@@H]2c2ccc(O)cc2)cc1 1862732744 KQBLUMXQVLBRHW-HSZRJFAPSA-N 437.536 5.340 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(C(C)C)c(C)c3)C2=O)cc1C 1862880681 LHQKHNTWIFYFSH-UHFFFAOYSA-N 449.554 6.004 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)c(Cl)c2)=C(c2cccs2)C1=O 1863473745 WFWZHYCVJMJGTB-UHFFFAOYSA-N 434.964 6.093 30 10 IKEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CC(C)C)[C@@H]1c1cccs1 1864477830 QIMAEQHAYYEFSL-FQEVSTJZSA-N 444.645 5.080 30 10 IKEE CCCC[C@@H](NC(=O)C[C@@H](c1ccc(Cl)cc1)C(C)C)C(=O)Nc1ccccc1C#N 1866760642 GODRVUWYIWBMOW-FYYLOGMGSA-N 439.987 5.655 30 10 IKEE CCCc1nc(Nc2cccc(C#N)c2)cc(N2C[C@H](c3ccccc3)Cc3ccccc32)n1 1868378166 HGGZPPIAICQMSU-XMMPIXPASA-N 445.570 6.522 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3ccccc3[C@H]2CCc2ccccc2)nc(CC)n1 1869126888 IGZLKWRSTQWTAO-AREMUKBSSA-N 438.619 5.954 30 10 IKEE C=CCOc1cn(Cc2ccccc2)c(CNc2ccc(Cl)c(C(F)(F)F)c2)cc1=O 1870810879 WJUHIXZGJYDRMF-UHFFFAOYSA-N 448.872 5.746 30 10 IKEE C=CCOc1cn(CCCCN(CC)CC)c(CNc2cccc(C(C)(C)C)c2)cc1=O 1870812880 MVZRIHNQJUCWJS-UHFFFAOYSA-N 439.644 5.445 30 10 IKEE CCCCCCCOc1cn(CCC)c(CNc2ccc(OC(F)(F)F)cc2)cc1=O 1870831576 FVHJYKOFBMQBBJ-UHFFFAOYSA-N 440.506 6.118 30 10 IKEE CCCCCCCOc1cn(CCOC)c(CNc2cccc(C(F)(F)F)c2)cc1=O 1870831695 GZRQPYJTTMGFLN-UHFFFAOYSA-N 440.506 5.475 30 10 IKEE CCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(Cl)cc1C 1871253901 KWHHRXGCVTUOGJ-UHFFFAOYSA-N 449.982 6.063 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(O)c3CN(Cc3ccccc3)C(C)C)C2=O)cc1 1871393789 KMJRCBNJYLDIAW-QQXSKIMKSA-N 427.544 5.981 30 10 IKEE CCOc1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O 1871417951 GUCJYTZYGYECRF-QRVIBDJDSA-N 449.890 5.372 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(Cl)cc2)ccc2c1O/C(=C\c1ccccc1F)C2=O 1871440991 RGKHOLVATAGFOT-MTJSOVHGSA-N 437.854 5.421 30 10 IKEE Cc1cc(OCC(=O)NCc2ccccc2Cl)cc2c1C(=O)/C(=C/c1cccs1)O2 1871445875 RNEWCKQFXLCXLZ-JAIQZWGSSA-N 439.920 5.021 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O)Nc1cccc(Cl)c1 1871454105 BBRRHHKIVXITOZ-FBHDLOMBSA-N 440.282 5.627 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)c1 1871454368 MDFKGWDACPHING-FMCGGJTJSA-N 433.891 5.591 30 10 IKEE C=CCN=c1nc(Nc2ccc(N(CC)CC)cc2C)[nH]c(N(CCCC)CCCC)n1 1871708974 JFMZUHKYZKIKJV-UHFFFAOYSA-N 439.652 5.196 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(C)c(C)c1)[C@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1871912489 WKFPVDWBMIWHAI-MZNJEOGPSA-N 442.625 5.150 30 10 IKEE C=CCN([C@H](C(=O)Nc1cccc(Cl)c1C)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872423656 VHMXSEBIGXBACX-QFIPXVFZSA-N 449.016 5.105 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(C)cc1C)[C@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1872537791 UBQDEBGQGITZIH-VGSWGCGISA-N 449.016 5.187 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3c(Cl)ccc(Cl)c3OC)n2)cc1C 1872765656 UJWUHMOYXYEJIJ-ZDUSSCGKSA-N 447.343 5.933 30 10 IKEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)cc1 1872770603 ZOLXHFXWVRAIJE-IBGZPJMESA-N 443.528 5.003 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)C23CC4CC(CC(C4)C2)C3)n1 1872786351 HWOJTNCLGDHYSE-WGERFFLFSA-N 440.996 6.173 30 10 IKEE C=CCc1ccccc1OCc1cccc(C(=O)N2CCc3cc(OC)c(OC)cc3C2)c1 1872846673 MZOSHBAGXMUNDF-UHFFFAOYSA-N 443.543 5.210 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)c(Cl)c2)=C(c2cccnc2)C1=O 1873269103 KQDFYIPJFKRDDL-UHFFFAOYSA-N 429.923 5.427 30 10 IKEE N#Cc1cccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(Cc3ccccc3)C23CCCC3)c1 1873866639 BVXHABVAKUISDP-VWLOTQADSA-N 435.527 5.249 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3cccc4ccccc34)c(=O)oc2c1C 1873905989 ZNYMRVJCFBMFBZ-UHFFFAOYSA-N 427.500 5.699 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1ccc(C(C)C)cc1 1874252270 IWIGYRYROXCYSE-WPWMEQJKSA-N 448.636 6.272 30 10 IKEE CSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1ccc(Cl)c(Cl)c1 1874259845 VOHUVWYKTHCPFI-GZIVZEMBSA-N 429.279 5.046 30 10 IKEE COc1ccc(CCc2nnc(SCCc3ccccc3)n2/N=C/c2ccccc2)cc1 1874307349 SBOJDGUJVRCMHN-NHFJDJAPSA-N 442.588 5.289 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(Cl)cc3)n2/N=C/c2cccc(O)c2)cc1 1874339340 SAGDMASEELCKAO-CVKSISIWSA-N 448.979 5.711 30 10 IKEE CCCSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(Br)cc1 1874368106 VIKCKQRAAHBCGN-CIAFOILYSA-N 435.778 5.745 30 10 IKEE Cc1ccc(CSc2nnc(CCc3cccs3)n2/N=C/c2ccccc2F)cc1 1874369175 NLJKQHPICSEYPP-MFKUBSTISA-N 436.581 5.747 30 10 IKEE CCCSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1cc(Br)ccc1O 1874390034 RDOIZGTYAOKBOS-LPYMAVHISA-N 445.386 5.030 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874395740 UQJRSVQIITTYRF-LEBHPONQSA-N 443.532 5.513 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccccn1 1874399803 WQJFAMRMGGRCOR-MJDZGMBVSA-N 449.583 6.153 30 10 IKEE Cc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCc2cccc(Cl)c2)cc1 1874414208 HASNJMNLIMLGDC-ZVHZXABRSA-N 439.009 6.067 30 10 IKEE COc1cc(/C=N/n2c(SCc3ccc(C)cc3)nnc2-c2cccs2)ccc1O 1874420661 XIHKYKBYSUUMSR-YDZHTSKRSA-N 436.562 5.204 30 10 IKEE Cc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCC(=O)Nc2ccccc2C)cc1 1874437630 LNTOYHIFNSFYNV-MFKUBSTISA-N 435.597 5.097 30 10 IKEE CCSc1nnc(C(F)(F)F)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874460478 WSADFTVCCSKDOH-BHGWPJFGSA-N 440.878 5.524 30 10 IKEE Oc1ccc(Cl)cc1/C=N/n1c(SCc2ccccc2Cl)nnc1C(F)(F)F 1874461548 SRVVSNVVDSMJGA-LIMNOBDPSA-N 447.269 5.484 30 10 IKEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(CC)cc3)nnc2C(C)C)cc1 1874512141 YNTCQCUAMPBYGF-MFKUBSTISA-N 435.597 5.139 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C2CC2)cc1O 1874523531 UGOYGQMNGIFHKM-LSFURLLWSA-N 435.336 5.048 30 10 IKEE Cc1ccc(Cc2nnc(S)n2/N=C/c2ccc(OCc3ccccc3F)cc2)cc1C 1874562333 PDPAVQLKCXBNSD-JFLMPSFJSA-N 446.551 5.375 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2cccc(Cl)c2)cc1F 1874582260 GENXVIUWRVBZQY-PKNBQFBNSA-N 426.871 5.971 30 10 IKEE CCOC(=O)c1ccc(COc2cc(/C=C/C(=O)c3ccc(Cl)cc3)ccc2OC)o1 1874595688 YTTCZVDQGIDXFN-NYYWCZLTSA-N 440.879 5.593 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3ccc(C)cc3)c2)cc1F 1874597478 PDBAAKNJCTWIKJ-IZZDOVSWSA-N 449.478 5.065 30 10 IKEE CCCOC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(OCCC)cc2)cc1OC 1874616842 WBOMTSVQCQSJPG-IZZDOVSWSA-N 446.927 5.366 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OCC(=O)N[C@H](C)c1ccccc1 1874625622 NSNRATHNENXMEY-RNYZQXAPSA-N 447.506 5.377 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OCC(=O)N[C@@H](C)c1ccccc1 1874632977 GACYUGFROQEXDA-KVDXNUTJSA-N 443.543 5.464 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(OC)c1OCCc1ccccc1 1874634364 YGMPOVOFEJDDAT-VAWYXSNFSA-N 430.544 6.147 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)cc(OC)c1OCC(=C)C 1874639564 FZFDXSOUUPYMRC-ZRDIBKRKSA-N 438.520 5.301 30 10 IKEE O=C(COc1ccc(Cl)cc1Cl)Oc1cccc(/C=C/C(=O)c2ccccc2)c1 1874700486 WBNQPDWOYLGGLI-PKNBQFBNSA-N 427.283 5.874 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OC(=O)COc1c(C)ccc(C)c1C 1874710296 VBQBIJZCGJLQCX-NTUHNPAUSA-N 448.490 5.640 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(OC)c1OC(=O)c1ccncc1 1875095841 KFAARUTWNUSMHC-FMIVXFBMSA-N 449.506 6.087 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)cc(Cl)c1OC(=O)c1cccnc1 1875119190 JEOFQRLHBFOMEZ-ZHACJKMWSA-N 437.879 5.258 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)c3c(F)cccc3Cl)cc2)cc1 1875148347 BQFOGRCZINMEDG-CXUHLZMHSA-N 436.910 6.892 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)Cc1ccc(C)c(C)c1 1875156741 FHLNDPKAOBAWAM-RIYZIHGNSA-N 442.555 6.480 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1cccc2ccccc12 1875163645 WABIGCZRAXURKC-UKTHLTGXSA-N 444.433 6.242 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC3CCCCC3)c(Cl)c2)cc1Cl 1875187476 SQQYFMADUWQDCQ-JXMROGBWSA-N 447.358 6.774 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)ccc1OC(=O)c1ccc(F)cc1 1875190330 UEMDHHKCHMKGTG-WUXMJOGZSA-N 448.490 5.965 30 10 IKEE CCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc1OC 1875190547 UYYZOOYOAZYOMU-BQYQJAHWSA-N 447.325 5.295 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N1C[C@H](C)C[C@@H](C)C1)n2CC(C)C 1875210351 JLTBWUBBEKPPSC-NHCUHLMSSA-N 441.664 5.978 30 10 IKEE C#CCC[C@H](NCCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875661271 NIDPKOQCHDLDIV-WNJJXGMVSA-N 443.587 5.660 30 10 IKEE CC(C)(C)c1cc(CCC(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc(C(C)(C)C)c1 1892181815 KNGDVILZMUTOPI-UHFFFAOYSA-N 431.624 5.435 30 10 IKEE CC(C)(C)OC(=O)N(C1CCC1)[C@H](C#N)c1ccc(Cl)cc1I 1903735655 CUEDDTZYUWWSAW-OAHLLOKOSA-N 446.716 5.299 30 10 IKEE C=C(C)CN(Cc1ccccc1)C(=O)c1scc(Br)c1Br 1914546825 HPSPOQXXVZSRJN-UHFFFAOYSA-N 429.177 5.492 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)C1(C#N)[C@H]2CC[C@H]1CN(Cc1ccccc1)C2 1934339077 YUTDUNIRVCXQKN-ZEQRLZLVSA-N 431.580 5.228 30 10 IKEE CN[C@@H](CC#CC1CCCCC1)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1947488956 ITRGRUKFXHDJPD-BJKOFHAPSA-N 428.617 5.048 30 10 IKEE CC[C@@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(C)cc2)CN1C(=O)OC(C)(C)C 2040670586 JSUUVENMPKMIFH-CLOONOSVSA-N 443.588 5.808 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1scc(Br)c1C 2041206711 OLLMWWVUGOWJOW-JKSUJKDBSA-N 429.424 5.166 30 10 IKEE CC(C)N[C@]1(C#N)CCC[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)[C@H]1C 2055575307 YIOMTCKGFVPZKK-RTVRTQBESA-N 432.656 5.070 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)[C@H]1C(C)(C)C 2076161351 MGFVJUAFQDMTQI-HOYKHHGWSA-N 447.551 5.495 30 10 IKEE Cc1ccc([C@H](n2nc(C3(C)CC3)c(C#N)c2I)C2(C)CC2)cc1 2079024587 GJZLELXXRUCVBK-KRWDZBQOSA-N 431.321 5.109 30 10 IKEE CCc1ccc([C@@H](n2nc(CC)c(/C=N/O)c2I)C(C)(C)C)cc1 2079050987 WWZLKPSGUOVYOR-KKJJZKEWSA-N 439.341 5.056 30 10 IKEE CCc1ccc([C@H](C2CCC2)n2nc(C3CCC3)c(C#N)c2I)cc1 2079078104 KIGFQQYMDZLTET-FQEVSTJZSA-N 445.348 5.579 30 10 IKEE CCCc1ccc([C@@H](CC)n2nc(C3CCC3)c(C#N)c2I)cc1 2079855484 MJIWJDGIZDRTLN-GOSISDBHSA-N 433.337 5.579 30 10 IKEE Cc1cc(C)c([C@H](n2nc(C(F)(F)F)c(C=NO)c2Br)C2(C)CC2)c(C)c1 2079862305 NQAXBNMPUPKKBJ-INIZCTEOSA-N 444.295 5.787 30 10 IKEE CC[C@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)F)c(C=NO)c1Br 2079873071 JYFOOFVXYRTBNB-LLVKDONJSA-N 444.173 5.549 30 10 IKEE COc1ccc([C@H](n2nc(C(F)(F)F)c(C=NO)c2Br)C(C)(C)C)cc1C 2080011633 CWAABSLEKKXCFM-HNNXBMFYSA-N 448.283 5.425 30 10 IKEE COc1ccc([C@H](n2nc(C(C)C)c(C=NO)c2Br)C(C)(C)C)c(F)c1 2080053084 FYOFSOBVXUPBLS-KRWDZBQOSA-N 426.330 5.360 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Cl)c(Br)c1F 2097192063 ZEDCYPFUHJDVST-YOEHRIQHSA-N 447.776 5.199 30 10 IKEE CC(C)(C)CN(Cc1ccccc1)c1ncc(C(F)(F)F)cc1B1OC(C)(C)C(C)(C)O1 2116141210 WUXLLDGANBRWKS-UHFFFAOYSA-N 448.338 5.452 30 10 IKEE COc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)c(C)c1 2143772213 XPCGAVWNDSZBFM-LJQANCHMSA-N 431.330 5.773 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)C(C)(C)C1CCCCC1 2151424067 BZEWCWQHJHQSRU-IBGZPJMESA-N 435.406 6.689 30 10 IKEE COc1cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)ccc1F 2166599126 DZRWSXPUKAPURS-KRWDZBQOSA-N 435.293 5.603 30 10 IKEE Cn1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)c(C(F)F)n1 2178750737 QDVKSHVYUIUUHI-CQSZACIVSA-N 441.276 5.127 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(F)cc2C#N)cc1Br 2181049194 VQKMAKPWDQTDAZ-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE CC1(C)OB(c2ccccc2COCc2cc(Cl)ccc2Br)OC1(C)C 2200739261 HLTGHBLOZAKADC-UHFFFAOYSA-N 437.570 5.119 30 10 IKEE CCN[C@@H](C#CP(C)(C)=O)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2218401706 JANGYQRPBFYBEC-INIZCTEOSA-N 429.295 5.030 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(C)c(Br)c(C)c1 2235605862 AAOLIQWBNXMGRX-AZUAARDMSA-N 437.422 5.413 30 10 IKEE CCCCCC#CC[C@H](O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237406122 ZQNXZJGEQXWXHC-PMACEKPBSA-N 438.406 5.220 30 10 IKEE CCCCCCCC[C@@H](N)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237429464 DZYLUFGLMXWQBO-UXHICEINSA-N 441.454 5.963 30 10 IKEE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@H](C#N)c1sc(Cl)cc1Br 2250689015 UBPMNGGKPOYWOC-CMPLNLGQSA-N 435.771 5.145 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1sc(Br)c(C)c1C 2254683202 XMRCPJONXIPVPP-LSDHHAIUSA-N 431.440 5.638 30 10 IKEE CC(C)(C)OC(=O)NC[C@]1(C)CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2258801464 BMDQWUYYBACJPQ-ZEQRLZLVSA-N 447.551 5.544 30 10 IKEE CCc1ccccc1N=C1SC(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C(=O)N1C 2293838587 FPTGZPMOTJGPMO-UHFFFAOYSA-N 447.516 5.959 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C 2296217038 PYYFJWIKPSSAIB-RTBURBONSA-N 437.422 5.108 30 10 IKEE CC1(C)CCC(NC(=O)OC(C)(C)C)([C@@H](O)C#Cc2cccc(Br)c2)CC1 2296225094 QXXXNTASZFBKPA-SFHVURJKSA-N 436.390 5.025 30 10 IKEE CN[C@@H](C#Cc1cccc(Br)c1)c1cc(NC(=O)OC(C)(C)C)ccc1C 2296280264 YKFSBUNNRBQYPN-FQEVSTJZSA-N 429.358 5.417 30 10 IKEE Cc1nc(N2C(=O)C(=O)C(=C(O)c3ccc(F)cc3)[C@H]2c2cccc(Cl)c2)sc1C 2296766430 OGZVJXQLZSJEIL-GOSISDBHSA-N 442.899 5.179 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(OC(=O)c4ccc(C)cc4)c3C)C2=O)c2ccccc21 2296872158 XHXLKYJBFVAGKL-UHFFFAOYSA-N 437.495 6.113 30 10 IKEE O=C(C=Cc1ccccc1)Nc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1 2297616221 ZZKBEJQDHVCQDQ-UHFFFAOYSA-N 432.317 5.997 30 10 IKEE COc1ccc(C=NN=C2SC(=CC=Cc3ccccc3)C(=O)N2Cc2ccco2)cc1 2314818750 KUPJGBXNIUANKL-UHFFFAOYSA-N 443.528 5.351 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)cc1 2318881712 XWKDQZDSDZOBLT-PCCBWWKXSA-N 443.588 5.712 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1c[nH]c2cc(Cl)ccc12 2321774189 YPJZGUCWRVSJIE-UHFFFAOYSA-N 444.391 6.193 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCc3c(F)cccc3Cl)ccc3ccccc23)cc1 2322442949 MHMLXTFXNKUTSE-UHFFFAOYSA-N 446.905 7.116 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C)c(C)c2)c1OCC(=O)Nc1ccccc1C 2322901079 ZVCOBXXNEVFDKF-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE CCCCCCCCCOc1ccc(C=NNc2nc3ccc(C)cc3[nH]2)cc1Cl 2323201965 MSFSGNJPRBFXOZ-UHFFFAOYSA-N 426.992 7.100 30 10 IKEE CCCOc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2cccs2)C3=O)cc1 2323459008 OBIZISMGDBLMIS-UHFFFAOYSA-N 432.497 5.772 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)cc3C)c(OC)c2)c1 2323510708 GRTMQHVUWNTDGN-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE COC(=O)COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1Br 2323514918 VYPOTWQVAZVZDE-UHFFFAOYSA-N 444.108 5.204 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(C)c2)cc(OC)c1OCCc1ccccc1 2323580122 VUYBKNCBRBTEBN-UHFFFAOYSA-N 442.555 6.258 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(OC)c1OCc1ccc(Cl)cc1 2323602724 YHEFVDUZSMSZQA-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE CCCCCCCCCCN1C(=O)C(=Cc2ccccc2C(F)(F)F)SC1=S 2323720821 JRLSQSLSGQVBAE-UHFFFAOYSA-N 429.573 7.047 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OCC(=O)N[C@H](C)c1ccccc1 2323802836 SXGFTJVBLOXRSG-GOSISDBHSA-N 449.934 5.501 30 10 IKEE COc1cc(C=NNc2nc(C)cs2)ccc1OCc1ccc(Br)cc1 2323864859 PTXMUEZYHKOVAM-UHFFFAOYSA-N 432.343 5.248 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@](C#N)(N(C(=O)OC(C)(C)C)c1cccc(F)c1)C2 2324107635 ANWGWEKBSRXTNO-UXSWERMXSA-N 445.535 5.249 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OCc3cccc(F)c3)c(OC)c2)cc1F 2324108233 SGSZETRBZLLRPB-UHFFFAOYSA-N 440.442 5.466 30 10 IKEE CCCCCCCC[C@@](C)(NCCCN(Cc1ccccc1)Cc1ccccc1)C(=O)O 2324294812 NVYBLYCSGNMQEI-MUUNZHRXSA-N 438.656 6.262 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1ccncc1)C2=O 2324345713 GYMBKFMTDNPXKK-GOSISDBHSA-N 442.515 5.283 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(C(C)(C)C)cc3)n2)cc1C 2324406308 GSEXILJJDODKLC-NRFANRHFSA-N 430.573 6.314 30 10 IKEE Cc1c(OCCCCOc2ccccc2)ccc2c1OC(=Cc1ccc(N(C)C)cc1)C2=O 2324584987 GNBXFKCXXZIRQQ-UHFFFAOYSA-N 443.543 5.915 30 10 IKEE CCCC[C@H](Oc1ccc2c(c1C)OC(=Cc1ccc(Br)cc1)C2=O)C(=O)O 2324784519 IVXJZJAKWSSWEH-SFHVURJKSA-N 445.309 5.396 30 10 IKEE CCCCCCOC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2325031101 SLWLJPSUBUKCDT-UHFFFAOYSA-N 439.464 5.022 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1OC(=O)c1ccc(C)c(C)c1 2325690820 FKVJBLULPYIFHN-UHFFFAOYSA-N 436.507 6.581 30 10 IKEE CCc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2325722964 CRUWEIMCLRRHNG-UHFFFAOYSA-N 447.918 5.845 30 10 IKEE CCc1ccccc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O 2325737381 DFNWWTNQIJOVBS-UHFFFAOYSA-N 447.918 5.845 30 10 IKEE Cc1cc(C(=O)C=Cc2cccc(OC(=O)c3ccc(C(F)(F)F)cc3)c2)ccc1F 2325742164 TVATYVWOQNGJMQ-UHFFFAOYSA-N 428.381 6.268 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OC(=O)c2ccc(C(F)(F)F)cc2)c1 2325743585 WLGUIRQFPVNOEY-UHFFFAOYSA-N 440.417 6.138 30 10 IKEE Cc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)c2)cc1C 2325756773 NPFKXLLWSDHHPU-UHFFFAOYSA-N 442.555 6.418 30 10 IKEE CCc1nnc(SCc2ccccc2F)n1N=Cc1ccccc1COc1ccccc1 2326269160 WKZVGNZAKARADK-UHFFFAOYSA-N 446.551 5.733 30 10 IKEE CCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1c(F)cccc1Cl 2326589538 ITYGSHDWHUYWMC-UHFFFAOYSA-N 438.959 6.003 30 10 IKEE Cc1ccccc1OCCCc1nnc(SCc2ccccc2)n1N=Cc1ccco1 2327098384 OBMUNRZXMPMONT-UHFFFAOYSA-N 432.549 5.366 30 10 IKEE Cc1ccc(OCc2nnc(SCCc3ccccc3)n2N=Cc2ccc[nH]2)c(C)c1 2328902389 LYQGRGOIVNDQKT-UHFFFAOYSA-N 431.565 5.019 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccccc3Cl)n2N=Cc2cccs2)cc1 2329604574 GKQJEUHSRCBWBN-UHFFFAOYSA-N 445.400 6.488 30 10 IKEE O=[N+]([O-])c1ccc(C=Nn2c(CCc3cccs3)nnc2SCc2ccccc2)cc1 2329662444 WYUPMYDLCSYDOI-UHFFFAOYSA-N 449.561 5.208 30 10 IKEE Cc1cccc(CSc2nnc([C@H](C)c3ccccc3)n2N=Cc2ccccc2Cl)c1 2330073788 MQSDVXLJTANNMA-LJQANCHMSA-N 447.007 6.566 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)C=Cc1ccc(Cl)cc1)[C@@H](C)CC 2330377250 UJFMQIXNNWEZCN-RDPSFJRHSA-N 435.052 6.141 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](C)NC(=O)C=Cc1ccc(Br)cc1 2330481741 FWWXCPOBNASIGZ-GOSISDBHSA-N 437.422 5.224 30 10 IKEE O=[N+]([O-])c1ccc(C=Nn2c(SCc3ccccc3F)nnc2-c2cccs2)cc1 2330583154 LMZAVXVJBTYGAF-UHFFFAOYSA-N 439.497 5.228 30 10 IKEE COc1cccc(C=Nn2c(SCc3cccc(C)c3)nnc2-c2ccccc2)c1OC 2330647991 VTORISGQZKQBMA-UHFFFAOYSA-N 444.560 5.445 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc(F)c2)c([N+](=O)[O-])c1)c1ccc2ccccc2c1 2330664626 PGINRFAJCNRRBC-UHFFFAOYSA-N 441.414 6.002 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3Cl)c(Cl)c2)cc1 2330743639 GRQPDDLGHCRGDZ-UHFFFAOYSA-N 439.338 6.600 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3ccc(C)c(C)c3)c(OC)c2)c1 2330777925 MMCAYSNUGCVVND-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE COc1ccccc1C=Nn1c(SCc2cccc3ccccc23)nnc1[C@H]1CCCO1 2330979798 RQACLNYWXQJRSX-HSZRJFAPSA-N 444.560 5.466 30 10 IKEE CC(C)(C)c1nnc(SCc2ccccc2Cl)n1N=Cc1cccc([N+](=O)[O-])c1 2331397533 NCXLMTCSMUGBNF-UHFFFAOYSA-N 429.933 5.312 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3cccc(C)c3)cc2)cc1C(C)C 2331571768 LMEGJZZTBRFVAD-UHFFFAOYSA-N 428.528 6.551 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccccc3F)c(OC)c2)cc1C 2331854799 UUCJEBVMSMZTDG-UHFFFAOYSA-N 434.463 5.575 30 10 IKEE C=C1C[C@H](OC(=O)c2ccccc2)[C@H]2[C@@](C)(CCC[C@@]2(C)CO)[C@H]1CCC(C)=CCO 2333186701 WGSYIFPPMZUQAN-DKJSDLLJSA-N 426.597 5.312 30 10 IKEE CC(C)N[C@@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)C1CC2(CC2)C1 2344929729 JUHZSVICENEHFL-LJAQVGFWSA-N 444.667 5.071 30 10 IKEE Cc1ccc2nc(-c3ccc(/N=C/C=C/c4cccc(Br)c4)cc3)sc2c1 1922501 QKFFKRJETNUNJC-BZCVXYEQSA-N 433.374 7.450 30 10 IKEE COc1ccc(/C=C2\S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)cc1[N+](=O)[O-] 20259354 IFEXRTOWUKOQPF-BRBBDLJVSA-N 437.521 5.540 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2F)cc1 21250777 DXJMKBDEXHCRJT-CLYVBNDRSA-N 428.507 6.204 30 10 IKEE CCc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1 21251065 VZPYQSLCKSSJAP-DCFHFQCYSA-N 428.963 6.882 30 10 IKEE Cc1ccc(-n2c(C)cc3c2CC(C)(C)C/C3=N\OC(=O)Nc2cccc(Cl)c2)cc1C 39853155 QKBCDKCEPJEQOO-BYNJWEBRSA-N 449.982 6.981 30 10 IKEE Clc1ccccc1CSc1n[nH]c(N/N=C/c2ccc(OCc3ccccc3)cc2)n1 59309636 XNPFGHCDIMDRJO-AFUMVMLFSA-N 449.967 5.775 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccccc2Cl)S/C1=N/c1nc(-c2ccccc2)cs1 101130546 DNUUSLUHADCWDF-SFLUQZEPSA-N 437.977 6.254 30 10 IKEE CN1/C(=C2\S/C(=N/Cc3ccccc3)N(c3ccc(O)cc3)C2=O)Sc2ccccc21 102151296 YCTLPJOYWKAKGX-PSBCSISTSA-N 445.569 5.439 30 10 IKEE CCCCCCCCCCCCn1c(COc2cc(C)ccc2C(C)C)nc2ccccc21 102185882 QJOSWHYSMIOQHO-UHFFFAOYSA-N 448.695 8.968 30 10 IKEE CCCCCCCCCCn1c([C@H]2CC(=O)N(c3cccc(C)c3C)C2)nc2ccccc21 102199934 YIIYBXMTYUKBKZ-DEOSSOPVSA-N 445.651 7.314 30 10 IKEE Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2ccc(Br)cc2)cc1 107292208 KINZXPTWUPDATI-DTQAZKPQSA-N 443.344 6.506 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/Nc2ccc(C(=O)O)cn2)cc1OCC 169877932 QCHWKKFOSSBFPB-YZSQISJMSA-N 427.545 5.754 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccccc2OC)cc1 169943301 LPCWTSFLWYUQJQ-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccc(O)cc2)cc1 169960492 XLHXBSZXJYOZSN-XMMPIXPASA-N 427.500 5.354 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2cccc(C)c2)c1 169966228 WDXURIPUXLPVIX-AREMUKBSSA-N 449.506 5.940 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 170065335 WDBYRJQRUFXYJC-NRFANRHFSA-N 439.845 5.397 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)C)cc2)cc1 170067060 GKDIUNXXQBAFIH-XMMPIXPASA-N 429.516 5.744 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@@H]1c1ccc(OC)cc1 170116502 NQHKQFHMAWHOSM-NRFANRHFSA-N 443.927 5.126 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1cccs1)c1ccc2c(c1)CCCC2 170157267 FMMGRMIRXAOVLF-JOCHJYFZSA-N 431.513 5.115 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccccc2)ccc1Cl 170228331 LCZFQSWBPBBMIB-QFIPXVFZSA-N 444.874 5.003 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2F)c1 170249164 ZCCPGGCADNVZAR-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccc(OCC(C)C)c2)cc1 170366003 OKQUJPHTBCBFJU-QHCPKHFHSA-N 447.556 5.874 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1Cl 170470005 QFSCFUYGKSROIH-HSZRJFAPSA-N 439.983 6.461 30 10 IKEE Cc1ccc(S(=O)(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c(C)c1 170550220 XCDBGGVSAKALQH-UHFFFAOYSA-N 428.513 5.903 30 10 IKEE COc1cc(/C=C\C(=O)Nc2nc(-c3ccccc3)c(C(C)C)s2)ccc1OCC#N 216392290 QQKDPIHUKPTEGV-BENRWUELSA-N 433.533 5.496 30 10 IKEE CCCOc1ccccc1/C=C1\SC(=Nc2ccccc2C)N(c2ccccc2C)C1=O 252623334 OOPHUGDEBSWVEU-SBEYKLCGSA-N 442.584 6.901 30 10 IKEE C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1cc(Cl)ccc1C 252629365 UELOCFQDPDIFTQ-IBGZPJMESA-N 427.957 5.103 30 10 IKEE N#C[C@H](CNc1cc(I)ccc1Br)C1CCCCC1 397352053 OQMXNSHXGYTRNO-GFCCVEGCSA-N 433.131 5.186 30 10 IKEE CCCOc1cccc([C@H]2C(c3ccc(OC)cc3)=C(O)C(=O)N2c2ccccc2C#N)c1 526604759 PNUNURAZVOWTMZ-VWLOTQADSA-N 440.499 5.413 30 10 IKEE Cc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1cccc(C(F)(F)F)c1 526816665 BOAYMEJJBGQKEL-OPVMPGTRSA-N 428.842 5.572 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1cccc(OCC)c1O 526818788 AEWGVKPGLZPEBD-MYYYXRDXSA-N 438.597 5.516 30 10 IKEE Clc1ccc(/C=N\n2cnnc2SCc2ccc(Br)cc2)cc1Cl 526819159 CQSKXZQSIGYCHR-WNFQYIGGSA-N 442.169 5.522 30 10 IKEE CCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1c(F)cccc1Cl 526829159 UXCQPJGSYIGCPH-JJFYIABZSA-N 433.896 5.106 30 10 IKEE COc1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 586249481 LGWMQMOOWCYAHW-UHFFFAOYSA-N 434.561 5.260 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@](C)(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 698900726 MTVBQWHKWYISNS-VGOFRKELSA-N 435.590 5.167 30 10 IKEE COc1ccc(Br)c([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(C)cc2)c1 698905126 SNFOUSRLDRHMOT-IBGZPJMESA-N 431.330 5.773 30 10 IKEE COc1cc(C=NOC(=O)c2ccc(Cl)cc2)ccc1OCc1c(F)cccc1Cl 1084614658 BXDKWFDXXRFTPJ-UHFFFAOYSA-N 448.277 5.911 30 10 IKEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(Cc1ccco1)C(C)C 1359187760 WEODQHJGHQHPFC-UHFFFAOYSA-N 446.555 5.204 30 10 IKEE O=C1/C(=C\c2ccccn2)SC(=Nc2nc(-c3ccccc3)cs2)N1C1CCCCC1 1772734059 CPGUOSBUADTIEQ-ZJRBDENDSA-N 446.601 6.142 30 10 IKEE COc1ccc(NC(=S)N/N=C\c2cn(-c3cccc(C)c3)nc2-c2cccs2)cc1 1857809700 VELSRWKGCRUFHE-OYKKKHCWSA-N 447.589 5.238 30 10 IKEE Cc1ccc(NC(=S)N/N=C\c2cn(-c3ccccc3)nc2-c2cccs2)cc1C 1857810664 BBYJSLMWIIBKCV-OYKKKHCWSA-N 431.590 5.538 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccc2O[C@@H](C)C(=O)O[C@H](C)CC)c1 1858739729 AUAPXFPNWOUYDY-MSOLQXFVSA-N 439.556 5.281 30 10 IKEE N#Cc1c(NC(=O)Cc2ccc(Cl)c(Cl)c2)oc(-c2ccccc2)c1-c1ccccc1 1859650078 FRZOZOGIOOREMJ-UHFFFAOYSA-N 447.321 6.973 30 10 IKEE Cc1ccc(CCCC(=O)Nc2c(C#N)cnn2-c2cc(C)c3cc(C)cc(C)c3n2)cc1 1859656922 JEFSLMCRAGVQKY-UHFFFAOYSA-N 437.547 5.487 30 10 IKEE CCCOc1cccc(/C=C/C(=O)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)c1 1860730103 YBVPWHNSVGDQGF-OVCLIPMQSA-N 449.934 5.929 30 10 IKEE CCCCCCCCNC(=O)[C@](C)(CC)NC(=O)C(C)(C)Oc1ccc(Cl)cc1 1861464704 BEQBBRJYNFSWFA-QHCPKHFHSA-N 425.013 5.259 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1c(F)cccc1Cl 1862382446 HUJUBIUZGDRVFI-KRWDZBQOSA-N 442.701 5.773 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1cccc(Cl)c1)c1ccccc1Cl 1862433188 XCPVQSPZOZFOLW-NRFANRHFSA-N 438.310 5.772 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(Cl)cc2)cc1 1862476540 LUMKVHWUCWYZRF-XMMPIXPASA-N 445.946 5.778 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 1862476770 ODLUUOPUISUMHD-GAJHUEQPSA-N 431.919 5.988 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccccc2F)c1 1862489744 FNODCVGRUDWRKX-DEOSSOPVSA-N 447.481 5.403 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCc2cccs2)c1 1862490544 YGYWATSQMMBWTR-HSZRJFAPSA-N 431.557 5.494 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccc(Cl)cc2)cc1 1862502493 BHVNNKHYBJLFRA-QHCPKHFHSA-N 449.909 5.874 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 1862531409 NECMWIITGFCROA-XMMPIXPASA-N 449.591 5.287 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1cccc(OCC)c1 1862618961 LACZKRDLNPBZRL-XMMPIXPASA-N 449.591 6.151 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccc(O)c1 1862661691 FLAXJTPCJARMJS-WIOPSUGQSA-N 449.591 6.453 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1c(F)cccc1Cl 1862666870 NTKXQCDFKSTTCQ-SPLOXXLWSA-N 429.919 5.979 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(C(C)C)cc2)cc1 1862691457 NLKKTGDVAVQIFT-QHCPKHFHSA-N 447.556 5.659 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2cccc(C)c2)c1 1862698437 HJEUJNUMNZMMEJ-DEOSSOPVSA-N 433.548 5.695 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2ccccc2C)c1 1862699331 SMVQNMNWNHMOAU-XMMPIXPASA-N 427.500 5.091 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)cc1 1862740601 FNXFPECGZBUQHX-FQQGMQMYSA-N 448.519 5.314 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)cc1 1862748949 MRIVHPHMXBCOFG-NYHFZMIOSA-N 446.434 5.073 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1 1862900894 MIUFUVSNIIJGFY-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(Cl)cc2)C1=O 1863179827 IBBXLNHQXSFQPQ-UHFFFAOYSA-N 435.955 5.764 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2OCC)=C(c2ccccc2F)C1=O 1863290881 XHIRUNLOEJQWAM-UHFFFAOYSA-N 438.543 5.777 30 10 IKEE CCCCCCCCCCNC1=C(c2cc(C)ccc2C)C(=O)N(Cc2cccnc2)C1=O 1863735869 GNURRRFCELCJQE-UHFFFAOYSA-N 447.623 5.709 30 10 IKEE CCOC(=O)c1c(-c2ccc3c(c2)CCCC3)csc1NC(=O)c1ccc(C#N)cc1 1866125310 WIHJVHRHSYZGKE-UHFFFAOYSA-N 430.529 5.595 30 10 IKEE CC[C@@](C)(NC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1ccccc1C#N 1866992945 BJARUVJUIVGPSH-NFBKMPQASA-N 446.378 5.528 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](c1ccc(C(C)C)cc1)C(C)C 1868854494 ZEYCNWQDICKNGB-SXOMAYOGSA-N 446.635 5.478 30 10 IKEE C=CCn1cc(OCCOc2ccc(C(C)(C)C)cc2)c(=O)cc1CN1CCC(C)CC1 1870592902 YCXNGHOXLGBQOR-UHFFFAOYSA-N 438.612 5.022 30 10 IKEE CCCCCCCCn1cc(OC)c(=O)cc1CNc1ccc(-c2ccccc2C)cc1 1870997556 SNFNXGWKWAYZON-UHFFFAOYSA-N 432.608 6.805 30 10 IKEE C=CCn1cc(OCCCCOc2ccc(C)cc2)c(=O)cc1CNc1cccc(OC)c1 1871226461 SRACYDRDGFEGTN-UHFFFAOYSA-N 448.563 5.201 30 10 IKEE CCCCCCN1COc2ccc3c(c2C1)O/C(=C\c1cccc(Br)c1)C3=O 1871351919 HKFRMSMRHCMBLI-BKUYFWCQSA-N 442.353 5.798 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OC(=O)c3cccc(Br)c3)c2C)C1=O 1871364223 MCHPDUJWEWJFRG-BKUYFWCQSA-N 449.300 5.901 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc(OC(=O)c3ccccc3[N+](=O)[O-])c2C)C1=O 1871369337 GODNJGMLXORBFI-HMAPJEAMSA-N 445.427 5.137 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OC(=O)CCCOc4ccccc4C)c3C)C2=O)o1 1871371046 IDZNXWCQJOXALT-HAHDFKILSA-N 432.472 5.586 30 10 IKEE CCOc1ccc(CC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2OC)C3=O)cc1 1871375600 ULUQHMLCGLYSSH-IWIPYMOSSA-N 444.483 5.167 30 10 IKEE Cc1cc(OC(=O)c2ccc(C(F)(F)F)cc2)cc2c1C(=O)/C(=C/c1cccc(F)c1)O2 1871375906 JLTZSCFYMABOBB-JAIQZWGSSA-N 442.364 5.988 30 10 IKEE Cc1ccc(OCCOc2ccc3c(c2C)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1 1871405254 HJNIDYJEESEYOY-ONUIUJJFSA-N 428.528 6.501 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc5ccccc45)cc(C)c3C2=O)o1 1871452816 QTKCUVHTLFPCGO-CFRMEGHHSA-N 439.467 5.683 30 10 IKEE CCCCCCCCN=c1nc(N2CCCCC2)[nH]c(=Nc2ccc(C)c(Cl)c2)[nH]1 1871489948 AAAKFCMUQOMJHF-UHFFFAOYSA-N 431.028 5.184 30 10 IKEE CCCCCCCCCCN=c1nc(N(CC)CC)[nH]c(=Nc2ccc(C)c(F)c2)[nH]1 1871581606 OOVSMDQOWUQPSE-UHFFFAOYSA-N 430.616 5.305 30 10 IKEE C=CCN([C@H](CCC)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1cc(C)ccc1C 1872456505 IVSADXLILGZAQY-OAQYLSRUSA-N 449.016 5.249 30 10 IKEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872488988 NDHZRQMDIVVRGU-IBGZPJMESA-N 449.016 5.168 30 10 IKEE CCCCCCCCCCNC(=O)Cc1nonc1OCCCOc1ccc(C)cc1 1872648673 NWCHTVGSPBRFIS-UHFFFAOYSA-N 431.577 5.025 30 10 IKEE N#C[C@@H](C(=O)c1ccc(-c2ccccc2)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1872759361 LYLOKHQZEOOABB-NRFANRHFSA-N 425.469 5.875 30 10 IKEE N#C[C@@H](C(=O)/C=C/c1ccc(Cl)c(Cl)c1)c1nc(-c2ccccc2Cl)cs1 1872764087 CWQKFVSOSADGCE-OWNNVSBGSA-N 433.747 6.660 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1 1872765503 QPCKBBZXVKAAEN-GOSISDBHSA-N 439.924 6.204 30 10 IKEE CCCCCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(F)cc3F)cs2)cc1 1872766167 CZTXMMAGSJRHSN-FQEVSTJZSA-N 440.515 6.537 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@@H](C#N)C(=O)C(Cl)(Cl)Cl)n2)c1 1872780970 NXZGALHLRADMFW-LBPRGKRZSA-N 433.744 5.154 30 10 IKEE N#Cc1ccccc1NC1=C(c2c(Cl)cccc2Cl)C(=O)N(C2CCCCC2)C1=O 1873287600 GECLLETWEYUCFX-UHFFFAOYSA-N 440.330 5.390 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Br)c(C)c2)cc2c(NCC(C)C)ncnc21 1873602529 FPCHCDHQVDKTIY-UHFFFAOYSA-N 442.361 5.008 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc3cc[nH]c3c1)n2C 1873629250 SCWROLZBZMNLAU-UHFFFAOYSA-N 446.599 6.255 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(CCCC)cc1)n2CCCC 1873656542 CYBYCHUQAUFQQA-UHFFFAOYSA-N 445.611 6.005 30 10 IKEE FC(F)(F)c1ccc(/C=N/n2c(SCCc3ccccc3)nnc2-c2ccco2)cc1 1874466791 BFBPLRXEDOONSF-CVKSISIWSA-N 442.466 5.774 30 10 IKEE COCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccccc1F 1874502312 BBKJOGZLSZMBLP-LSFURLLWSA-N 425.316 5.045 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1cccc(Br)c1 1874504137 IBUHVMHFPLBXRQ-LPYMAVHISA-N 429.387 5.476 30 10 IKEE Sc1nnc(Cc2ccccc2)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874558894 GJXXIJFXCYPQSD-MFKUBSTISA-N 434.952 5.272 30 10 IKEE C[C@@H](NC(=O)COc1ccccc1/C=C/C(=O)c1ccc2c(c1)CCCC2)c1ccccc1 1874572071 VFOQAZHPSRHBGC-RURFIKTLSA-N 439.555 5.718 30 10 IKEE O=C(/C=C/c1c(OCc2cccc(Cl)c2)ccc2ccccc12)c1ccc([N+](=O)[O-])cc1 1874575605 WKZWVINMCRNMJU-BUHFOSPRSA-N 443.886 6.877 30 10 IKEE Cc1ccc(COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1 1874579171 AHUUGEFHCKYBDT-JXMROGBWSA-N 431.746 7.430 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccccc2)cc1C(C)C 1874584784 AUJLCBNQNKWDGI-CCEZHUSRSA-N 443.543 6.041 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cccc(OC)c1OCCc1ccccc1 1874588724 APNRKPSDRXLBLC-OUKQBFOZSA-N 436.935 6.183 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OCc3ccccc3)c2)cc1OCCC 1874594324 DGGYPXBDFQUREO-FYWRMAATSA-N 430.544 6.739 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1C 1874610963 URUIMICUWMVHQY-KPKJPENVSA-N 437.879 6.040 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)ccc1OCc1cc(C)ccc1C 1874621952 DJZPJWDNHFYDOM-RMKNXTFCSA-N 430.500 5.558 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCc3cccc(C)c3)c([N+](=O)[O-])c2)cc1C 1874636729 PMUQNRRXFLSWHP-CSKARUKUSA-N 431.488 6.004 30 10 IKEE CCC(=O)Oc1cc(/C=C/C(=O)c2ccc3ccccc3c2)c(Br)cc1OC 1874692825 ZJXAIFBZYNYBFS-ZHACJKMWSA-N 439.305 5.822 30 10 IKEE CCc1ccccc1OCC(=O)Oc1cccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)c1 1874712077 PINALIMQIVMYGE-FYWRMAATSA-N 444.527 5.755 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)Cc2ccc(C)c(C)c2)c1 1874715109 DFSVVBQZHDULSB-ZHACJKMWSA-N 448.946 6.318 30 10 IKEE Cc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3cc(C(C)(C)C)ccc3C)c2)cc1 1874715992 WFBMCIKSOHTANS-JQIJEIRASA-N 426.556 6.645 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c([N+](=O)[O-])c2)cc1 1875100948 OBXPUYWJZXTUBN-WLRTZDKTSA-N 446.415 5.181 30 10 IKEE C[C@@H](C(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-])c1ccccc1 1875126691 UIPHMNMHMZVNCE-ROCHPLJESA-N 435.863 5.853 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)c1ccccc1F 1875131882 SPYZJUXLMKGMGU-ZRDIBKRKSA-N 434.463 5.575 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)c(C)c3)c(Cl)c2)cc1F 1875152953 NDCMOTMKPNKFLR-WEVVVXLNSA-N 438.882 6.220 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OC(=O)Cc1ccc(C)cc1 1875164210 XYMPVVLTWZZVNZ-XYOKQWHBSA-N 436.454 5.716 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)cc2)cc1)c1ccc(Oc2ccccc2)cc1 1875165484 ZYJIXIBNMNMKFH-UFWORHAWSA-N 438.454 6.733 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3)c(Cl)c2)c1C 1875168911 ZYHJGPSOBHQQGC-VZUCSPMQSA-N 436.910 6.828 30 10 IKEE COc1cccc(C(=O)Oc2c(OC)cc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2OC)c1 1875175369 LYSJQHDFDYBEDC-ZRDIBKRKSA-N 446.499 5.445 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3)cc2)c2ccccc12 1875190157 HYAZXNTZOKUDDV-LZYBPNLTSA-N 426.443 6.103 30 10 IKEE C=CCn1c(C(=O)N(CC)CCCC)cc2c(NCCCCCCCCCC)ncnc21 1875228704 ACARAQZWKXSDKU-UHFFFAOYSA-N 441.664 6.432 30 10 IKEE CC[C@@]1(C)N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1887216757 IFVAWSVKEJTAGQ-JWQCQUIFSA-N 443.588 5.496 30 10 IKEE N#Cc1ccc(OC2CCN(C(=O)c3c(Cl)ccc4cc(Cl)cnc34)CC2)cc1 1890676723 ZIKCBEAFFRZZJR-UHFFFAOYSA-N 426.303 5.097 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CC[C@@H]1CCCCN1C(=O)OC(C)(C)C)NCCC 1922060841 SVSONBVPGWOLAT-BJKOFHAPSA-N 430.633 5.697 30 10 IKEE C=C(COCc1ccccc1)[C@H](CCN(Cc1ccccc1)C(=O)OC(C)(C)C)NCC 1922112408 MMNPGSDGWBILAD-VWLOTQADSA-N 438.612 5.565 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CCCN(Cc1ccccc1)C(=O)OC(C)(C)C)NC 1922124060 DVXACAGLRYRESZ-RUZDIDTESA-N 438.612 5.565 30 10 IKEE CCCCCCCCC[C@H](NC)c1sc(Br)c(C)c1Br 1922919562 XUXVEHLVZARACX-ZDUSSCGKSA-N 425.274 6.983 30 10 IKEE CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1938158428 XVMLQARPHGRAER-CRAIPNDOSA-N 437.968 5.525 30 10 IKEE C#CC[C@@H](C[C@@H](CCCN(Cc1ccccc1)C(=O)OC(C)(C)C)NCCC)C1CC1 2020092540 KBDKTEGOLFLAEM-LOSJGSFVSA-N 426.645 6.012 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(C)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2022145009 OSUZEKYBQBJZLP-NVQXNPDNSA-N 430.633 5.553 30 10 IKEE CCCCC#CC[C@@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2024371774 VMVJYTCEFPOBBN-QPTUXGOLSA-N 430.633 5.437 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(CC2CC2)C(=O)OC(C)(C)C)C12CCCC2 2024623675 IGGSTEWAFYUEID-DEOSSOPVSA-N 433.593 5.240 30 10 IKEE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(C)c1 2032559859 BBPSWPKVFIUSHN-DFBJGRDBSA-N 443.588 5.666 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)C1(C#N)C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2033849468 XMQMVLJDMRCZGA-XZQOPNAISA-N 435.543 5.657 30 10 IKEE O=C(C=Cc1cccc(O[C@H](C(=O)O)c2ccccc2)c1)c1cnn(Cc2ccccc2)c1 2069748164 RFJJSHNBEJRPLA-SANMLTNESA-N 438.483 5.032 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2c(Cl)cccc2Br)cc1 2094994975 OFXTYYOUTANMOU-QGZVFWFLSA-N 435.749 6.417 30 10 IKEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)c1cscc1OCc1ccccc1 2100090607 ACWWRLFDOBQKQR-UHFFFAOYSA-N 449.381 5.187 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1CCNc1ccc(C#N)c(Br)c1F 2106031711 ZKZXKWWYJHWDHY-CQSZACIVSA-N 426.330 5.051 30 10 IKEE CC1(C)OB(c2ccoc2CNc2c(Cl)cc(Cl)cc2Br)OC1(C)C 2138284641 ZGWJLSUKECLQIH-UHFFFAOYSA-N 446.965 5.260 30 10 IKEE N#Cc1cc(F)c(N[C@H]2CN(Cc3ccccc3)C3(CCCC3)C2)cc1Br 2154521269 VTZWCGALVYSAMD-GOSISDBHSA-N 428.349 5.459 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](CNc2ccc(C#N)cc2Br)[C@H]2CCCC[C@@H]21 2179392437 IHCLZCVJANLXOX-FCEWJHQRSA-N 434.378 5.158 30 10 IKEE COc1cccc(F)c1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2203462955 TVMBQEBTOUPXSK-MRXNPFEDSA-N 435.293 5.603 30 10 IKEE CCCCCC#CC[C@H](NCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2203811314 VNTGBGJYDRLQFZ-FQEVSTJZSA-N 437.422 6.421 30 10 IKEE C=C1CC([C@@H](NC)c2sc(Br)c(Br)c2Br)C1 2212249815 YMJMGWLSPUQUMN-SECBINFHSA-N 430.003 5.262 30 10 IKEE C=C(C)CCCC[C@H](NC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2287381125 WBWZLDVCWUHXEN-PMACEKPBSA-N 439.438 5.609 30 10 IKEE C=CCN(C[C@@H](NCC)c1cc(Br)cc(C(C)(C)C)c1)C(=O)OC(C)(C)C 2288666753 XRKKAVUHTMIIDT-LJQANCHMSA-N 439.438 5.820 30 10 IKEE C=CCN(CC[C@@H](NC)c1cc(Br)cc(C(C)(C)C)c1)C(=O)OC(C)(C)C 2288669928 JAGSPRABJWTQMD-LJQANCHMSA-N 439.438 5.820 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)CC#CC1CCCC1 2289847392 HTSKATZOAUYKPF-IBGZPJMESA-N 434.374 5.038 30 10 IKEE N#Cc1ccccc1COc1ccc(Br)cc1C=C1C(=O)Nc2ccccc21 2293760706 SJSRCOOPRRWHBH-UHFFFAOYSA-N 431.289 5.392 30 10 IKEE Cc1ccc(C=C2SC(=Nc3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)s1 2293792118 PGYRRRXXHPHWPZ-UHFFFAOYSA-N 443.597 6.385 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)C[C@@H](CC)CNC(=O)OC(C)(C)C 2296298682 MQSGTWPYONQHFA-YLJYHZDGSA-N 437.422 5.110 30 10 IKEE CCCCCCCCOc1ccc(C=C2N=C(C=Cc3cccc([N+](=O)[O-])c3)OC2=O)cc1 2297412791 TWAURIMGBNRVSE-UHFFFAOYSA-N 448.519 6.344 30 10 IKEE COc1ccc(N=C2NC(=O)C(=Cc3ccc(Sc4ccc(Cl)cc4)o3)S2)cc1 2297462849 RZODHAXXAPBNNY-UHFFFAOYSA-N 442.949 5.984 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)c1 2299174737 TYJCQEFRCCZUCD-MOPGFXCFSA-N 429.561 5.274 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2Cc2ccco2)c1 2314479050 ZDVASQCFUJZRGS-VWLOTQADSA-N 443.499 5.247 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]1CSc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317308222 INPTYLMSMDQFQP-HHNLSAEISA-N 446.422 5.218 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C 2318878235 USTYXWTYHOBBFY-ZHALLVOQSA-N 445.560 5.022 30 10 IKEE CCCN[C@@H](C#C[C@@H](OC)C1CCCC1)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 2320498379 WYCBRWPPKMUSJF-LOSJGSFVSA-N 442.644 5.391 30 10 IKEE Cc1c(OCc2ccc(F)cc2)ccc2c1OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2321802013 ZFRDNWOGZXFOTG-UHFFFAOYSA-N 436.482 6.996 30 10 IKEE CCOc1cc(C=Nn2c(S)nnc2C2CCCC2)ccc1OCc1ccc(C)cc1 2321927977 BZYXNNHLWUBSCE-UHFFFAOYSA-N 436.581 5.393 30 10 IKEE Fc1ccc(COc2ccc3ccccc3c2C=Nn2c(S)nnc2[C@H]2CCCO2)cc1 2321934991 DZSMCMBJJQPYAY-JOCHJYFZSA-N 448.523 5.172 30 10 IKEE CCOc1ccc(OCc2nnc(S)n2N=Cc2cccc(Oc3ccccc3)c2)cc1 2322194680 DWWJNZLLGKAIJT-UHFFFAOYSA-N 446.532 5.219 30 10 IKEE Cc1ccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3ccccc3Cl)C4)C2=O)cc1 2322305737 VTLCEAKWDDQDQQ-UHFFFAOYSA-N 431.919 5.925 30 10 IKEE COC(=O)c1ccc(COc2ccc(Cl)cc2C=CC(=O)c2cccc(OC)c2)o1 2322371992 VUUFNTVXAKBSSX-UHFFFAOYSA-N 426.852 5.203 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2ccccc2)c1C 2322842753 CMMXQEJJSWYJFT-UHFFFAOYSA-N 447.962 6.487 30 10 IKEE Cc1c(OC(=O)C=Cc2ccc(F)cc2)ccc2c1OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2323046727 RRELUQKZODYZFB-UHFFFAOYSA-N 445.402 5.277 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OCC(=O)Nc1cccc(C)c1C 2323164043 LCJXWCIIFMSVDS-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 2323813918 PMGOZGMUVXZFHC-UHFFFAOYSA-N 429.516 5.616 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1 2323921316 GDZLZDQQSODDJC-UHFFFAOYSA-N 429.516 5.697 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(OC)c1OCc1ccccc1Cl 2323969087 SYPOYSJVCYCTGS-UHFFFAOYSA-N 440.898 6.280 30 10 IKEE Cc1cc(O)c(CN2CCCc3ccccc32)c2c1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)O2 2324025491 FEQTWOPRMNQCDP-UHFFFAOYSA-N 442.471 5.178 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)cc(Br)c1OCC 2324306796 WFEYKLDGVDSSKL-UHFFFAOYSA-N 433.342 5.768 30 10 IKEE N#C[C@H](C(=O)C=Cc1ccc(F)cc1)c1nc(-c2ccc(Br)cc2)cs1 2324418701 GNSMUMXLXHHIHA-QGZVFWFLSA-N 427.298 5.601 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCCOc4cccc(C)c4)c3C)C2=O)cc1OC 2324523031 RBVNNDLXQBRERE-UHFFFAOYSA-N 446.499 5.395 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1cccc(Cl)c1)C2=O)Nc1c(F)cccc1F 2325509535 MPSDYEZKDPHEOC-UHFFFAOYSA-N 441.817 5.252 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccco2)C3=O)cc1 2325616497 DHGIWKSIXHDQPR-INIZCTEOSA-N 431.488 5.735 30 10 IKEE COc1cc(C=CC(=O)C(=O)Nc2ccc(F)c(Cl)c2)ccc1OCc1ccccc1 2325649508 BUHXCOMZUQEZBQ-UHFFFAOYSA-N 439.870 5.288 30 10 IKEE CCc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccc(OC)cc2)C3=O)cc1 2325722597 WKBIMOJYSLHZJY-UHFFFAOYSA-N 443.499 5.200 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1OC(=O)c1ccc(F)cc1F 2325725521 RAWICWNURUFSAO-UHFFFAOYSA-N 430.353 5.367 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1OC(=O)CCCSC 2325736917 FHUZDEUGQMDKRU-UHFFFAOYSA-N 439.360 5.947 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1OC(=O)c1cncc(C)c1 2325746143 IFSPQTPNJOHWCV-UHFFFAOYSA-N 429.516 5.811 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)[C@H](C)c3ccccc3)c2)c2ccccc12 2325778070 BEOZBTDHBVVTFP-HXUWFJFHSA-N 436.507 6.454 30 10 IKEE CCCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccc(F)cc1 2326021185 DRSQBGOUSWQVNF-UHFFFAOYSA-N 432.952 5.467 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccccc1O 2326524064 NXIAEGLLYHCIPQ-UHFFFAOYSA-N 428.945 5.075 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccccc1OCC(C)C 2326736163 UZWILXQJCFDFFU-UHFFFAOYSA-N 440.588 5.969 30 10 IKEE CCCCC1CCC(c2nnc(SCC)n2N=Cc2ccccc2OCCC)CC1 2328148292 BMOXVMPSZWOTCK-UHFFFAOYSA-N 428.646 6.525 30 10 IKEE Cc1cccc(OCc2nnc(SCc3ccccc3)n2N=Cc2cccs2)c1C 2328846884 JCLREJMGXLGUFW-UHFFFAOYSA-N 434.590 5.710 30 10 IKEE Fc1ccccc1CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc[nH]1 2329101334 UKFUINROEMINJI-UHFFFAOYSA-N 425.920 5.164 30 10 IKEE Cc1ccc(C=Nn2c(SCc3ccccc3F)nnc2[C@H](C)c2ccccc2)cc1 2330109180 LYQYZNZDSBHDQE-LJQANCHMSA-N 430.552 6.052 30 10 IKEE CN(C)c1ccc(C=Nn2c(Cc3cccs3)nnc2SCCc2ccccc2)cc1 2330396667 ZKSKNWVWDVPCNH-UHFFFAOYSA-N 447.633 5.213 30 10 IKEE Oc1ccccc1C=Nn1c(Cc2cccs2)nnc1SCc1cccc(Cl)c1 2330439871 WSWNNYBVUTWVOV-UHFFFAOYSA-N 440.981 5.464 30 10 IKEE O=[N+]([O-])c1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2-c2ccccc2)cc1 2330651579 SHTRFGHTWDECMD-UHFFFAOYSA-N 433.468 5.167 30 10 IKEE Cc1ccc(C=Nn2c(SCC(=O)Nc3ccccc3C)nnc2-c2ccccc2)cc1 2330651613 YZQPMZMXOUNNDJ-UHFFFAOYSA-N 441.560 5.175 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1sccc1C 2330695647 NEQVWFSSPOGPRA-UHFFFAOYSA-N 446.568 6.449 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3)c(Cl)c2)cc1OC 2330718007 CHBRUJZSLXYCCT-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)CC(C)(C)C)c(Br)c1 2331065887 PMQDMOCGBQYDJJ-UHFFFAOYSA-N 431.326 5.695 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3F)cc2[N+](=O)[O-])c1 2331093890 DWVDGHCQLIYOIM-UHFFFAOYSA-N 437.398 5.605 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)CCCSC 2331135970 JUCKSYSYHIRHDG-UHFFFAOYSA-N 444.980 6.022 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)c1cccc2ccccc12 2331281980 OXJXCTLHNFOIMV-UHFFFAOYSA-N 436.507 6.662 30 10 IKEE CN(C)c1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C(C)(C)C)cc1 2331417623 DQXFAYGKHFBANO-UHFFFAOYSA-N 445.995 5.609 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc3ccccc23)cc([N+](=O)[O-])c1OC(=O)C1CCC1 2331478766 VMDLLYAMOYPANT-UHFFFAOYSA-N 445.471 5.748 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1OCC 2331665986 UYNFOQZJQKZPPZ-UHFFFAOYSA-N 444.955 6.356 30 10 IKEE Cc1cc(C)c(Cn2nnc(C#N)c2NC(=O)C=Cc2ccc(C(C)(C)C)cc2)c(C)c1 2332148490 UCFWVNJELUPEAP-UHFFFAOYSA-N 427.552 5.073 30 10 IKEE CC1(C)OB(c2cc(Cl)cnc2Nc2ccc(Cl)cc2Br)OC1(C)C 2339403738 OJJUIZZXBQLJHA-UHFFFAOYSA-N 443.965 5.194 30 10 IKEE C[C@H]1CN(Cc2ccccc2)CC[C@H]1Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339579067 QAJCTRJUXVPWRX-NZQKXSOJSA-N 433.405 5.049 30 10 IKEE CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccccc2)C2=C(CCCC2=O)N1 1010250 ONFNMQBVMJHACL-NRFANRHFSA-N 426.438 5.312 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C)cc2)cc1 21222289 FJBCKQDFPNVSCH-PZGXJGMVSA-N 438.571 6.763 30 10 IKEE CC(C)(C)c1cc(Cl)c(O)c(/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)c1 27497201 GQEJWEPVGQONAL-DNTJNYDQSA-N 427.682 5.470 30 10 IKEE C=CCc1ccccc1OCCn1c([C@@H](C)NC(=O)c2ccc(C)cc2)nc2ccccc21 40185864 ZTQUFOSUIGKSEP-OAQYLSRUSA-N 439.559 5.643 30 10 IKEE C[C@H]1CCc2c(C#N)c(NC(=O)COc3ccccc3C(C)(C)C)sc(=S)c2C1 41014520 LBTYFERSJXFBEN-AWEZNQCLSA-N 426.607 5.789 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OCc3c(F)c(F)c(F)c(F)c3F)cc(C)c2C1=O 41436101 LCNCDAIAIFYGJC-IUXPMGMMSA-N 446.371 6.194 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3c(cc4c(c3C)OCN(C3CCCCC3)C4)C2=O)c1 41587185 RBVYGZWOEWKPGZ-QRVIBDJDSA-N 435.520 5.113 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc3c2CN(Cc2ccccc2OC)CO3)C1=O 41656394 QBQVBQSZPYKLFH-QFEZKATASA-N 443.499 5.062 30 10 IKEE COc1ccc(/C(N)=N/c2sc(-c3ccc(Cl)cc3)nc2-c2cccs2)cc1 53994143 ZVDJBOATGFQDBV-UHFFFAOYSA-N 425.966 6.238 30 10 IKEE O=C(Nc1ccc(Cl)cc1)O/N=C(/c1ccc(Cl)cc1Cl)N1CCCCC1 59505449 UFRMODBNEVPMEA-MOHJPFBDSA-N 426.731 6.043 30 10 IKEE COc1ccc(-c2nc(SC)nc(Nc3c(Cl)cccc3Cl)c2C#N)cc1OC 62039766 BYEBJTQNFYEZDO-UHFFFAOYSA-N 447.347 5.805 30 10 IKEE CCCCCCCCCCn1c(CCCCCNC(=O)c2ccco2)nc2ccccc21 102179797 DTRZSQBTWNGDFC-UHFFFAOYSA-N 437.628 6.913 30 10 IKEE Cc1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(Cl)cc2)cc1 102588782 SIZHNAVGSGBRMV-AGGMBTAESA-N 448.862 5.183 30 10 IKEE CC(C)c1ccc(/C=C2/Oc3cc(OC(=O)c4ccc5c(c4)OCO5)ccc3C2=O)cc1 103017585 XTIVEQPQNORNQN-BHGWPJFGSA-N 428.440 5.374 30 10 IKEE Cc1cc(C)c2nc(N3C(=O)C(=O)/C(=C(\O)c4ccco4)[C@H]3c3cccc(F)c3)sc2c1 103111807 VFYCESCPIZMDQX-HWCXCKHPSA-N 448.475 5.272 30 10 IKEE CC1=CC(C)(C)NC(=S)N1c1ccc(C(=O)/C=C\c2ccc(Cl)cc2Cl)cc1 104059380 CSDFWDDSRJQBNW-XFFZJAGNSA-N 431.388 6.266 30 10 IKEE O=C(Nc1ccccc1)Nc1ccc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1 105721332 VTURBLZRRFHODO-UHFFFAOYSA-N 432.483 5.378 30 10 IKEE CO/N=C(\C)[C@H]1/C(=N/OC)C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118914453 KLCZPBNZZJGNRW-SURQZFQMSA-N 432.605 5.212 30 10 IKEE CCCN1C(=S)N[C@H](c2ccc(OC3CCCCC3)cc2)C(C(=O)c2ccccc2)=C1C 169929054 HADZFOYIWOXNQB-RUZDIDTESA-N 448.632 6.196 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccc(O)cc2)c1 169964922 LXBLHAOAAOKCOK-HSZRJFAPSA-N 447.918 5.441 30 10 IKEE CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccccc2)cc1 170053353 NYCRNNVZRSLTSN-QFIPXVFZSA-N 446.890 5.081 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccccc2)cc1 170054433 YJSIXZGEANYTRN-DEOSSOPVSA-N 439.467 5.220 30 10 IKEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(CC)cc3)[C@H]2c2ccccc2)cc1 170055535 MTWTXYQZNPZSOY-RUZDIDTESA-N 441.527 5.426 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)C)cc2)cc1C 170067064 KOWNHKNNHOXBRF-XMMPIXPASA-N 429.516 5.798 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2c[nH]c3ccccc23)s1 170075768 WXNCEUYWCDRLON-OAQYLSRUSA-N 443.528 5.333 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2Cc2ccco2)cc1 170114438 RBSVZSLVUPGQGP-XMMPIXPASA-N 439.467 5.220 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccc(C)c2)cc1C(C)C 170141664 PNPOEBPNCPCYLI-RUZDIDTESA-N 441.527 5.910 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(F)cc2)cc1C 170238349 FABJXKNIYKTIHD-JOCHJYFZSA-N 435.426 5.065 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(Cl)c(Cl)c1 170246498 FMMGAWIPBWWXIB-OAQYLSRUSA-N 444.358 5.861 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@@H]1c1ccccc1F 170252515 WZVMOZAQXKLCKM-QHCPKHFHSA-N 439.527 5.726 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2c[nH]c3ccccc23)cc1C 170256560 FTSLIXUBMVINPF-HSZRJFAPSA-N 430.504 5.006 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C)o2)cc1 170307048 VQVAMUIAOWDGQF-HSZRJFAPSA-N 449.503 5.529 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2c[nH]c3ccccc23)c1 170382666 DYXMFMCGCXGSBF-XMMPIXPASA-N 438.483 5.350 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C)c(C)c2)cc1 170453171 UTVBJQUZWDVWFD-DEOSSOPVSA-N 444.531 5.526 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)c2cc3cccc(Cl)c3[nH]2)nc2c(C)cccc12 170509460 QNAYSXUUKOKITM-UHFFFAOYSA-N 440.894 5.296 30 10 IKEE N#Cc1c(NC(=O)c2ccc(-c3ccccc3)cc2)oc(-c2ccccc2)c1-c1ccccc1 170522104 VVQYQDKMKWXPGA-UHFFFAOYSA-N 440.502 7.405 30 10 IKEE N#Cc1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)oc(-c2ccccc2)c1-c1ccccc1 170522147 CVHXWNPNBYQDKW-CCEZHUSRSA-N 435.439 6.045 30 10 IKEE COc1ccc(/C=C2\SC(=Nc3ccccc3)N(CCc3ccccc3)C2=O)c(OC)c1 252593816 BMJXXZBZQDANFB-SIFMURAYSA-N 444.556 5.551 30 10 IKEE CCc1ccccc1N=C1S/C(=C\c2cccc(O)c2)C(=O)N1c1ccccc1CC 252623892 PBRJFQKUOYRTIB-SIFMURAYSA-N 428.557 6.326 30 10 IKEE CCCCCCCCCCNc1ccc(I)cc1Br 311651990 UCCNFDOFPHEHOM-UHFFFAOYSA-N 438.191 6.606 30 10 IKEE Cc1cc(NC(=O)c2cccc(OCc3ccccc3)c2)ccc1B1OC(C)(C)C(C)(C)O1 404983737 RZZVEVODMGTOGP-UHFFFAOYSA-N 443.352 5.126 30 10 IKEE Cc1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)c(B2OC(C)(C)C(C)(C)O2)c1 405038398 VCPMCDRJWNKRFO-UHFFFAOYSA-N 443.352 5.126 30 10 IKEE Fc1cc(-c2c(F)c(F)c(F)c(F)c2F)c(-c2c(F)c(F)c(F)c(F)c2F)cn1 514260709 VANVIIURDISNPR-UHFFFAOYSA-N 429.188 5.946 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccccc2OC)cc1 526603935 IWIGOTSQDWIGHY-RUZDIDTESA-N 440.499 5.413 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc3ccccc23)c1 526773909 WDDUVEOBDNWMCE-AREMUKBSSA-N 449.506 6.021 30 10 IKEE CCOc1c(Cl)cc(/C=N\n2cnnc2SCc2cccc(Cl)c2)cc1Cl 526812472 XBOGITSVSYDYRD-AQHIEDMUSA-N 441.771 5.812 30 10 IKEE CCn1c(C)c(/C=N\n2cnnc2SCc2cccc3ccccc23)c2ccccc21 526820584 VBFHPXKKBFNLME-DICXZTSXSA-N 425.561 5.889 30 10 IKEE CCn1cc(/C=N\n2c(C)nnc2SCc2cccc3ccccc23)c2ccccc21 526821310 LUGHHMGFLVNNDK-YSMPRRRNSA-N 425.561 5.889 30 10 IKEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1ccc(Cl)c(Br)c1 698373302 DZEMVTQQTOZQFP-QGZVFWFLSA-N 444.801 5.246 30 10 IKEE C[C@@H](C[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1)c1ccccc1 698441504 ANMVYKVXKQMRBY-OXJNMPFZSA-N 429.358 6.277 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)C1(C#N)CC(c2ccccc2)C1 698454776 JGNWIQXBDSUFHC-UHFFFAOYSA-N 427.342 6.031 30 10 IKEE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@@H](C#N)c1ccc(Br)cc1Cl 698467253 BQIORSAMFODRLC-BBRMVZONSA-N 429.742 5.083 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H]([C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 698830431 VMTSGHKLFYNGKC-QMHKHESXSA-N 449.979 5.621 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@H](C#N)c1ccc(Br)cc1F 698864662 AGGHSSMJLUTPLT-MRXNPFEDSA-N 425.323 5.652 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@H](C#N)c1ccc(Br)c(Cl)c1 698969459 YBEFEXDASOLUCF-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 699659813 MPJLBYZDXXGKTG-UQBPGWFLSA-N 443.588 5.666 30 10 IKEE 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)c1ccccc1F 710780376 YUDMOTJUSRVTSD-JVNPVLLESA-N 445.535 5.105 30 10 IKEE COc1ccccc1C/N=C(/Nc1cc(-c2ccccc2)ccc1O)N1CCCC[C@H]1C 1088684452 WTAFENDPSLGYFU-HXUWFJFHSA-N 429.564 5.910 30 10 IKEE N#Cc1c(/C=C/c2ccc3c(c2)OCO3)cc(/C=C/c2ccc3c(c2)OCO3)nc1S 1088736351 XAIMWCDWPHDSAY-IJIVKGSJSA-N 428.469 5.040 30 10 IKEE COc1ccc(OC)c(/C=C2\SC(=Nc3nc(C)cs3)N(c3ccccc3)C2=O)c1 1772740102 WDNSBQIVGCENSG-PNVGRYOSSA-N 437.546 5.277 30 10 IKEE C/C(C=NN=C1S/C(=C/c2cccnc2)C(=O)N1Cc1ccco1)=C\c1ccccc1 1772759432 RENBDECNXOOQQQ-XWMGMABRSA-N 428.517 5.236 30 10 IKEE N#Cc1c(NC(=O)Cc2ccc3c(c2)CCCC3)oc(-c2ccccc2)c1-c1ccccc1 1859650102 HBYVWTVSIPOYJF-UHFFFAOYSA-N 432.523 6.545 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)/C=C/c1ccc(C(C)C)cc1 1861550569 OMHMWDWNDAGMID-FMPYCDKLSA-N 442.688 6.755 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@@H]2c2ccccc2F)cc1 1862474468 NYZSLEJRECLSPG-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@H]2c2ccc(O)cc2)cc1 1862474735 SQTQPHFEDSCEBW-QFIPXVFZSA-N 433.891 5.133 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862481456 ALVAJZMLMUKUMC-FQEVSTJZSA-N 432.347 6.070 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2cccc(Br)c2)cc1 1862488070 QBKLUDZJHFYHQX-FQEVSTJZSA-N 442.353 5.382 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@H]2c2ccccc2F)c1 1862489928 KLHQNRWQWQTRQS-DEOSSOPVSA-N 445.490 5.100 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cccc([N+](=O)[O-])c1 1862505783 GICIXPMVKVTDOQ-OAQYLSRUSA-N 440.471 5.201 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1cccc(F)c1 1862525270 YKCWGEWQMGUZLA-IBGZPJMESA-N 446.316 5.357 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN(CC)CC)[C@H]2c2cccc(C)c2)cc1 1862532595 HTDMABCFHYJNOP-VWLOTQADSA-N 448.607 5.258 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862533901 NJRYVSPLIXOOJE-XMMPIXPASA-N 445.584 6.212 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(F)cc1F 1862584347 WMJPMPQNJQSJHS-SFHVURJKSA-N 440.273 5.506 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@@H]1c1ccc(F)cc1F)c1cccc(O)c1 1862594619 HFPAYPXJPYYYOB-JOCHJYFZSA-N 441.474 5.362 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1c(Cl)cccc1Cl)c1cccc(O)c1 1862598402 RJYWPPNJFZNMRB-LJQANCHMSA-N 444.270 5.071 30 10 IKEE CCN(CC)CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccccc1 1862660152 JEJGCUSMOVJMSP-RUZDIDTESA-N 448.607 5.510 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)cc1 1862664365 ZOGKRJKOQZDCHY-DVKBMCPXSA-N 447.575 5.976 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc(F)cc2F)cc1 1862691837 WTOVQSPIRMGIDM-ZFGLAFRWSA-N 441.474 5.130 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1Cl 1862739388 XMQZOBYCBRAWEP-IBGZPJMESA-N 428.872 5.017 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(Cl)cc3)C2=O)cc1C 1862792890 VTWNSNJOARMXFX-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3c[nH]c4ccccc34)C2=O)c(C)c1 1863129057 UKSVWPHCNFCLFG-UHFFFAOYSA-N 432.483 5.053 30 10 IKEE CCCCCCCCNC1=C(c2ccc(Cl)cc2)C(=O)N(Cc2cccs2)C1=O 1863526792 FLTILCGFASODTP-UHFFFAOYSA-N 431.001 5.632 30 10 IKEE C=CCOc1cn(CCCCCC)c(CSc2ccc(Br)cc2)cc1=O 1870244762 HDNHYTHJDMFJNC-UHFFFAOYSA-N 436.415 6.048 30 10 IKEE CCCCCCCOc1cn(Cc2ccncc2)c(CSCc2ccccc2)cc1=O 1870251349 DYMNXRWGIFTVFI-UHFFFAOYSA-N 436.621 6.074 30 10 IKEE CCCCCCCCCCn1cc(OCc2ccccc2)c(=O)cc1CN1CCCCC1 1870470861 MUAHHNTXMUEEEC-UHFFFAOYSA-N 438.656 6.554 30 10 IKEE CCCCCCCCn1cc(OCCCC)c(=O)cc1CNc1ccc(F)c(Cl)c1 1871111076 RZOAHDRDBKHQOM-UHFFFAOYSA-N 436.999 6.792 30 10 IKEE O=C(/C=C/c1ccco1)Oc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O 1871369790 YUUIIYUNQJKIPP-NKTOACBESA-N 437.245 5.277 30 10 IKEE Cc1cc(OC(=O)c2cccc3ccccc23)cc2c1C(=O)/C(=C/c1ccc(N(C)C)cc1)O2 1871377845 GXYWBWPWCLWJJS-QQXSKIMKSA-N 449.506 6.050 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OC(=O)/C=C/c3ccc(C(C)C)cc3)c2C)C1=O 1871379965 PBSSXRRYNKKDQY-QHEGJKBSSA-N 438.523 6.662 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)ccc2C1=O 1871381575 WSGKVOIZRHNUEF-NAAQGQMDSA-N 433.441 5.200 30 10 IKEE CCCCN(CCCC)Cc1c(O)cc(C)c2c1O/C(=C\c1c(F)cccc1Cl)C2=O 1871393523 RTIAOAKTABHVCN-HMAPJEAMSA-N 445.962 6.512 30 10 IKEE Cc1ccc(/C=C2\Oc3c(CN(Cc4ccccc4)C(C)C)c(O)cc(C)c3C2=O)cc1 1871393819 MAMHIXXTPQIEHT-MYYYXRDXSA-N 427.544 6.036 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OCCCOc4ccccc4)ccc3C2=O)c2ccccc21 1871396998 DGYSXNVHNASRCJ-PKAZHMFMSA-N 439.511 6.125 30 10 IKEE COc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccccc4)cc(C)c3C2=O)cc1 1871404049 HQXFISWSPDAHRE-NQRZERFFSA-N 429.472 5.026 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OCCCOc4ccc(C)cc4)c3C)C2=O)cc1 1871407217 YFVIZBKIACQOCI-ITYLOYPMSA-N 428.528 6.330 30 10 IKEE CCCCCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O 1871427011 ISYGOXYQMSJXNF-NDENLUEZSA-N 449.330 6.030 30 10 IKEE COC(=O)c1ccc(COc2cc(C)c3c(c2)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)o1 1871438808 SOLJJEMAFPDEPF-QRVIBDJDSA-N 446.499 5.867 30 10 IKEE Cc1c(OCC(=O)Nc2ccccc2C(C)C)ccc2c1O/C(=C\c1ccncc1)C2=O 1871456061 KQKKPMYLDAZSRU-UCQKPKSFSA-N 428.488 5.147 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1ccc(Cl)cc1 1872089089 FWTQNMPORBQCTH-QFIPXVFZSA-N 449.016 5.277 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1 1872492346 HJCZIRXWZCROSU-QFIPXVFZSA-N 449.016 5.269 30 10 IKEE N#C[C@H](C(=O)Cc1cc(Cl)ccc1Cl)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872760068 GMEOTMNOMHNAJI-LJQANCHMSA-N 441.383 6.415 30 10 IKEE C=CCOc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872760585 SDARWTUZWDKVAS-NRFANRHFSA-N 444.556 5.509 30 10 IKEE CCc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(Cl)cc3Cl)n2)cc1 1872761384 MDFHNVRZEIBIIP-MRXNPFEDSA-N 431.344 5.935 30 10 IKEE N#C[C@H](C(=O)CCCOc1ccc2ccccc2c1)c1nc(-c2ccc(F)cc2)cs1 1872776347 NXZGWHNKCYYBOS-JOCHJYFZSA-N 430.504 6.138 30 10 IKEE COc1cc(OC)c(-c2csc([C@H](C#N)C(=O)c3ccc(C)c(C)c3)n2)cc1Cl 1872783155 SNCYARUKOVWSLO-MRXNPFEDSA-N 426.925 5.588 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(C(C)C)cc3)n2)cc1C 1872788192 WQRDSVGXHZSVRF-NJTIBFSMSA-N 430.573 6.449 30 10 IKEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)Nc3ccc(F)cc3F)cc2[nH]1 1872806201 AYHUPMXKEIREEB-UHFFFAOYSA-N 435.430 5.237 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc2nc(Cc3ccccc3Cl)[nH]c2c1 1872811456 UZAFCGYELAXMPC-UHFFFAOYSA-N 426.004 6.678 30 10 IKEE CCCCCCCCCCNC(=O)c1cccc(COc2ccc(C(=O)OC)cc2)c1 1872831848 JVIACLQFVZXDMT-UHFFFAOYSA-N 425.569 5.923 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC2CCCCCCC2)=C(c2cccs2)C1=O 1873155762 GZLBFLLAPJEJDH-UHFFFAOYSA-N 444.685 6.671 30 10 IKEE Cc1cc(C)c(C2=C(Nc3ccc(C#N)cc3)C(=O)N(C3CCCCCC3)C2=O)c(C)c1 1873329200 JUPZCWNSTRHDPI-UHFFFAOYSA-N 427.548 5.398 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2F)=C(c2c(C)cc(C)cc2C)C1=O 1873331365 HKCWLKPJPUCQLO-UHFFFAOYSA-N 436.571 6.303 30 10 IKEE C=CCn1c(-c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)nc2ccccc21 1873520091 UJMIWLJIWBSDTH-UHFFFAOYSA-N 446.550 7.047 30 10 IKEE NC1=C(c2nc(-c3ccccc3)c(-c3ccccc3)s2)C(=O)CN1c1ccc(F)cc1 1873527680 LTIFHTVZRAMKQX-UHFFFAOYSA-N 427.504 5.333 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1ccc(C(C)C)cc1 1874249516 CPRWJTRSAGEWTJ-NLRVBDNBSA-N 436.625 6.106 30 10 IKEE CCCCOc1ccc(/C=N/n2c(COc3c(C)cccc3C)nnc2SCC)cc1 1874299762 RLRWTIITCUHSHC-PCLIKHOPSA-N 438.597 5.647 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccc(C)c(C)c3)n2/N=C/c2cccnc2)cc1 1874318830 LAKHIQJBLQDDOE-JFLMPSFJSA-N 443.576 5.352 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3cccs3)n2/N=C/c2ccccc2O)c1 1874371647 KAVTVLWXHQJLRX-MFKUBSTISA-N 448.617 5.622 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2ccc(C(C)C)cc2)cc1 1874389270 LQSHFIYRZVJUHW-MTDXEUNCSA-N 440.616 6.475 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@H](C)c3ccccc3)n2/N=C/c2ccc(O)cc2)c1 1874395359 KWVPCMTXPVXEGZ-CSWGWEJPSA-N 442.588 5.927 30 10 IKEE Cn1cccc1/C=N/n1c(CC2CCCCC2)nnc1SCc1c(F)cccc1Cl 1874411249 LKWNBKBZDRKCMP-AFUMVMLFSA-N 445.995 5.706 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(Cc3cccs3)nnc2SCc2cc(C)ccc2C)c1 1874412803 WSMRKKONRRTQEH-AFUMVMLFSA-N 448.617 5.736 30 10 IKEE O=C(O)c1ccccc1/C=N/n1c(SCc2ccc(F)cc2)nnc1-c1cccs1 1874421154 XVONOOLOIXXSIQ-FSJBWODESA-N 438.509 5.018 30 10 IKEE Fc1ccccc1CSc1nnc(-c2cccs2)n1/N=C/c1cccc(Cl)c1 1874422228 AXTWWUVXIKDEIV-FSJBWODESA-N 428.945 5.974 30 10 IKEE C(=N/n1c(SCc2cccc3ccccc23)nnc1-c1cccs1)\c1ccccn1 1874423735 BRGRMGQSXFSRGY-MFKUBSTISA-N 427.558 5.729 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1cccc(Cl)c1 1874440210 OYWSEERKQBEUKE-ZMOGYAJESA-N 433.408 6.348 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2ccccc2Cl)c1 1874445219 BMGWDILRBIKROT-AFEQLLIESA-N 426.973 5.574 30 10 IKEE Brc1cccc(/C=N/n2c(SCc3ccccc3)nnc2[C@H]2CCCO2)c1 1874446115 SXIQEAOYDAZQRA-MNOULKQQSA-N 443.370 5.067 30 10 IKEE Cc1cccc(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2c(Cl)cccc2Cl)c1 1874447977 QBNSKZGPRLXFIC-OGBFJMLUSA-N 447.391 5.919 30 10 IKEE COc1cccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2[C@@H]2CCCO2)c1 1874454006 YBDNMWULUXGPFG-OGBFJMLUSA-N 446.935 5.105 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(C2CC2)n1/N=C/c1cccc2ccccc12 1874523154 YWNQLEHKEZSNKF-LGJNPRDNSA-N 436.943 6.276 30 10 IKEE Cc1ccc(C)c(CSc2nncn2/N=C/c2cccc(OCc3ccccc3)c2)c1 1874538432 FLQGBYSYBDWFNU-JFLMPSFJSA-N 428.561 5.648 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc3ccccc3c2)c1OCc1c(F)cccc1Cl 1874571679 ZWLMHQKBGHQPKD-CCEZHUSRSA-N 446.905 7.116 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cccc(OC)c1OCC(=O)Nc1cc(C)cc(C)c1 1874577134 YACYIEPVGVEZMF-OUKQBFOZSA-N 445.515 5.234 30 10 IKEE Cc1ccc(C(=O)/C=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)c(C)c1 1874578992 RFSARCSAXHSKSW-CCEZHUSRSA-N 426.943 7.585 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(C)ccc2C)c1OCC(=O)Nc1c(C)cccc1C 1874580220 CWEUDOMPKDLJTD-CCEZHUSRSA-N 443.543 5.842 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OCC(=O)Nc1ccccc1C 1874595157 XHMGQXAMOWBPDH-ACCUITESSA-N 435.907 5.571 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OCC(=O)NCc3ccccc3)c2)cc1 1874596424 VMAKZYOOQUOXJM-LFIBNONCSA-N 429.516 5.067 30 10 IKEE C[C@H](NC(=O)COc1cccc(/C=C/C(=O)c2cccc3ccccc23)c1)c1ccccc1 1874597342 GZGXEENRELIIOM-APOCOGJHSA-N 435.523 5.992 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OCC(=O)Nc2cccc(C)c2C)cc1 1874620107 JOPWHXRVTMINIA-SDNWHVSQSA-N 429.516 5.534 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc([N+](=O)[O-])c1OCc1ccccc1 1874623918 CGSICQYAKLRWCL-XNTDXEJSSA-N 445.515 6.592 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccc(OCc2ccccc2Cl)cc1 1874628817 XNSDZKVFGAIOHP-DHZHZOJOSA-N 447.745 7.131 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3cc(C)ccc3C)c2)cc1 1874695756 QJUPAHFMQBUHSA-SAPNQHFASA-N 426.556 6.690 30 10 IKEE C[C@@H](C(=O)Oc1cccc(/C=C/C(=O)c2cccc(Br)c2)c1)c1ccccc1 1874698313 PVXGJIPWHUUPOY-TUQDCPSNSA-N 435.317 6.054 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(C(F)(F)F)cc2)c1)c1cccc(Cl)c1 1874699348 QPVBCEXPIKNEJZ-KPKJPENVSA-N 430.809 6.474 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCc3ccc(OC)cc3)c2)cc1 1874701323 MICSYVWMNDLYIM-RQZCQDPDSA-N 430.500 5.528 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3ccc(C)c(C)c3)c2)cc1 1874701374 POGVVIYUNNCJPC-OQLLNIDSSA-N 430.500 5.583 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCc3ccc(Cl)cc3)c2)cc1 1874702174 UCNGORBSLBKUIZ-LZYBPNLTSA-N 448.946 6.563 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3ccc(OC)cc3)c2)cc1 1874703492 SPUHEVVHCRRXOX-FRKPEAEDSA-N 446.499 5.365 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccccc2Cl)c1 1874715899 RCUGKNNMHMHUOB-FYWRMAATSA-N 432.947 7.061 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)CCc1ccccc1 1875094540 XQLBMKAYYIZQMX-SDNWHVSQSA-N 445.471 5.428 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4ccccc4c3)cc2OC)cc1 1875095693 BVIDAOMTZJVKBK-VIZOYTHASA-N 438.479 5.972 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC3CCCCC3)c(OCC)c2)cc1 1875106238 JBELIYQAQZCXDY-NBVRZTHBSA-N 448.603 7.200 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)cc1 1875107026 WLGQDAHEOUNLOZ-OQLLNIDSSA-N 428.484 5.873 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2)cc1 1875122482 BEVLIWBXHARXFU-CAOOACKPSA-N 434.919 6.309 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1Br 1875127998 IYNVUKYJQPSGRB-ACCUITESSA-N 427.338 6.221 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1 1875129593 KIFGDGRFTIFUHC-VIZOYTHASA-N 431.444 5.417 30 10 IKEE CCCCC(=O)Oc1c(OCC)cc(/C=C/C(=O)c2ccc(OCC)cc2)cc1[N+](=O)[O-] 1875130755 PRHALPKRIYJKKJ-NTEUORMPSA-N 441.480 5.384 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3C)c([N+](=O)[O-])c2)c1 1875144753 NIOAIXTXDQQQIS-DHZHZOJOSA-N 447.443 5.036 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3OC)cc2)cc1F 1875151969 BLSFPIWCKAZTIP-NTEUORMPSA-N 434.463 5.277 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc3ccccc23)cc([N+](=O)[O-])c1OC(=O)C(C)C 1875154504 IDNMVABWTBBNNA-OUKQBFOZSA-N 433.460 5.604 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)CCOc1ccccc1 1875178912 JDWCITOSZYBAQQ-JLHYYAGUSA-N 430.500 5.583 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)ccc1OC(=O)c1ccccc1 1875181356 BJYJWAUYHMNMIB-PKNBQFBNSA-N 436.891 5.781 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)[C@H](C)c2ccccc2)cc1 1875182033 JBNQDWFOSBGGGI-GPZRYRNASA-N 434.919 6.262 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)[C@@H](C)c2ccccc2)cc1 1875184634 JJHMEERXVURUCE-TVADFSRQSA-N 426.556 6.898 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1[C@@H](C)C[C@@H](C)CN1C(=O)OC(C)(C)C 1922080605 PMRFBXXAQADEEN-SHBJFUFKSA-N 430.633 5.409 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1ccc(F)cc1I 1922109322 BGRANNDCDLLXON-FQEVSTJZSA-N 439.312 5.244 30 10 IKEE CC[C@](C#N)([C@H](C)NC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)c1ccccc1OC 1944150538 OOCMGGUHIXDGAL-HJPURHCSSA-N 433.549 5.022 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 1944696264 YGEBMJNDGUXQHR-VQIMIIECSA-N 433.524 5.106 30 10 IKEE C=CCC[C@@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCC)C(=O)O 1958048393 RQBXSFWQCDGFHQ-RPLLCQBOSA-N 435.564 6.141 30 10 IKEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1978279961 PDMDOHRRHJEVFV-KSFYIVLOSA-N 435.590 5.024 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1cc(Br)c(Br)o1 1978561845 ZSPKUDSQPQOXLL-KRWDZBQOSA-N 443.179 5.618 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CC[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C1 2001949389 GBXZDSHUUMTQGV-GSRZOBFVSA-N 435.609 5.484 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)CCC12CCC2 2008286713 NEAFATGZXAFNCP-HXUWFJFHSA-N 447.498 5.002 30 10 IKEE CC(C)(C)OC(=O)NC1CC2(CC[C@]2(C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)C1 2012277310 MAUBHYPSSXKYJV-FSEIRDBJSA-N 433.593 5.286 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccccc1NC(=O)OC(C)(C)C 2031833213 ZTXJSXHXLMUBJR-NRFANRHFSA-N 437.540 6.348 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)c2ccc(Br)c(Cl)c2F)C1 2062978922 JNWFRZHTZNWKNM-UHFFFAOYSA-N 432.717 5.285 30 10 IKEE CC[C@@](C#N)(C(C)C)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071349910 UAAMIQHMPYYMKJ-VSGBNLITSA-N 429.560 6.454 30 10 IKEE Cc1ccc([C@H](C2CC2)n2nc(C3CCC3)c(C#N)c2I)c(C)c1 2079035946 NKDBQYHBYDQJJS-IBGZPJMESA-N 431.321 5.243 30 10 IKEE CC1(c2nn(-c3ccc(C(F)(F)F)c(F)c3)c(Br)c2C(F)(F)F)CC1 2079832180 QZKOCFMWDXUFKI-UHFFFAOYSA-N 431.149 5.863 30 10 IKEE Cc1ccc([C@H](n2nc(C(C)(C)C)c(C=NO)c2Br)C(C)(C)C)c(F)c1F 2079939546 PMSZJCUXXSTMLT-KRWDZBQOSA-N 442.348 5.973 30 10 IKEE CC(C)Oc1ccc([C@H](C(C)C)n2nc(C3CCC3)c(C=NO)c2Br)cc1 2080127945 XOJMBKSFRKJEEP-FQEVSTJZSA-N 434.378 5.754 30 10 IKEE Cc1sc(C)c([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)c1Br 2092953518 PWNDPXNXFBJHHY-MRXNPFEDSA-N 441.435 6.652 30 10 IKEE Cc1cc(Nc2cc(Br)c(Br)c(Br)c2)ccc1C#N 2095446364 UVGWBNDWONWQMD-UHFFFAOYSA-N 444.952 5.898 30 10 IKEE N#Cc1cccc(Nc2cc(Br)c(Br)c(Br)c2)c1N 2095446462 WBHJDWPBBRHGJZ-UHFFFAOYSA-N 445.940 5.172 30 10 IKEE C[C@@H](N(CCOc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)Cc1ccccc1)C(C)(C)C 2095897153 APKHPRIMKDIDDC-OAQYLSRUSA-N 437.433 5.301 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)c(C)c(Br)c1)NCCC 2126701245 XDNQRVWBICWAMG-MSOLQXFVSA-N 445.829 5.401 30 10 IKEE CCCC#CC[C@H](NC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2138993130 GLDIZJKNWLRGNL-LITSAYRRSA-N 443.587 5.660 30 10 IKEE N[C@H](CC#CC1CCCCC1)c1ccc(Br)cc1I 2142276178 AFORXUWTRWDHCO-MRXNPFEDSA-N 432.143 5.027 30 10 IKEE C=CCN(CC[C@@H](Cc1cccc(Br)c1C)NCCC)C(=O)OC(C)(C)C 2155520455 CMWLCJNSUBQCES-IBGZPJMESA-N 439.438 5.481 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1cccc2c1COC2 2156053879 KWIYRTLYFLQKEQ-LJQANCHMSA-N 429.314 5.486 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@]2(CNc3cc(Br)ccc3C#N)CCC[C@@H]12 2165309372 WEEWIKAKHIAQSX-NQIIRXRSSA-N 434.378 5.302 30 10 IKEE CCC[C@@H]1CCOCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2165348676 NVXIDSXIRJQABP-IERDGZPVSA-N 437.378 5.680 30 10 IKEE N#Cc1cc(Br)ccc1Oc1cc(Br)c(Br)cc1N 2225695160 CZWOTTKLWYHBFP-UHFFFAOYSA-N 446.924 5.220 30 10 IKEE CCCCCC#CCC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237411849 HDDZMWSOKNPSNS-IBGZPJMESA-N 436.390 5.428 30 10 IKEE C=C(C)CCCC[C@H](N)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2271756618 TVEQCRHQRCIUNO-OALUTQOASA-N 425.411 5.349 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Br)cc(C(C)(C)C)c1 2272994412 ALGOXSQYHRBARQ-MSOLQXFVSA-N 425.411 5.477 30 10 IKEE C=CC[C@H](C)[C@@H](NCCC)[C@@](C)(O)c1cc(Br)c(Br)s1 2281227648 YKTOWJICEPKOFK-ZBINZKHDSA-N 425.230 5.061 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](CNc2c(Br)cccc2C#N)[C@H]2CCCC[C@@H]21 2285188404 QNECIKVEPWZTNW-JZXOWHBKSA-N 434.378 5.158 30 10 IKEE C=CCC1(COc2c(N)ccc(F)c2Br)CCN(C(=O)OC(C)(C)C)CC1 2287751941 MUNNYDBNNYUSRF-UHFFFAOYSA-N 443.357 5.143 30 10 IKEE O=C1C(=CNc2ccc(F)cc2)S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccsc21 2297378353 FGHICAHLYXNBAT-UHFFFAOYSA-N 448.928 5.027 30 10 IKEE CCCCCCCCCCCCCCCCNC(=S)NC(=O)C=Cc1ccccc1 2313601995 JUADAFPFIFBPRR-UHFFFAOYSA-N 430.702 7.172 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3C)c(OC)c2)c(OC)c1 2314429756 NZSGXVHPQGFELN-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE CC#CCN(C[C@H](NCC)c1c(Cl)cccc1Br)C(=O)OC(C)(C)C 2316096045 YHLLLUBDECBNSK-INIZCTEOSA-N 429.786 5.014 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)cc1 2321348993 MPWRVGZPCFLOJY-PMACEKPBSA-N 441.572 5.418 30 10 IKEE Cc1cc(C)cc(CSc2nnc(C)n2N=Cc2ccc(-c3ccc(C(=O)O)cc3)o2)c1 2321817810 PUGSESUTGZSGHL-UHFFFAOYSA-N 446.532 5.336 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O3)CN(Cc1cccs1)CO2 2321968133 DWZASNQBZFNBDJ-UHFFFAOYSA-N 445.584 6.322 30 10 IKEE CCCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(Cl)c(Cl)c1)C3=O 2322052059 SAEZYXWEMHMQMF-UHFFFAOYSA-N 432.347 6.260 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(Cl)cc1C=CC(=O)c1cc(C)ccc1C 2322617339 BIVYYITUIXOLRU-UHFFFAOYSA-N 427.972 5.880 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(Cl)cc2Cl)C3=O)cc1 2322671613 WSRWCPLABLFLAC-UHFFFAOYSA-N 439.294 6.446 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3cc(OC(=O)c4cc5ccccc5o4)ccc3C2=O)cc1 2322839829 PJVNATQRGTVDES-UHFFFAOYSA-N 438.479 6.566 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1C 2322991794 JGQYZOUYWNZFKK-UHFFFAOYSA-N 440.514 7.079 30 10 IKEE Cc1cc(OC(=O)C(Cl)(Cl)Cl)cc2c1C(=O)C(=Cc1ccccc1Cl)O2 2323034972 AITCYYRKAABXEV-UHFFFAOYSA-N 432.086 5.540 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1ccc2c(c1)OC(=Cc1ccc3c(c1)OCO3)C2=O 2323105959 PSBLGSXJFHVBFE-UHFFFAOYSA-N 448.858 5.223 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cccc(OCc2ccc(Cl)cc2)c1 2323289151 BYYZPXDVDKKCNU-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE CCCOc1ccccc1C=CC(=O)Oc1ccc2c(c1)OC(=Cc1ccncc1)C2=O 2323341398 UTQBJJWEYLHMAS-UHFFFAOYSA-N 427.456 5.105 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(Cl)c1OCc1ccc(F)cc1 2323388203 QZLVZPXQUCSFSY-UHFFFAOYSA-N 446.905 7.116 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc(C=CC(=O)c3ccc4c(c3)CCCC4)cc2)c1 2323419928 VKWDFOJHJAXTGL-UHFFFAOYSA-N 439.555 6.096 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1 2323536080 GLYXSUJEWFZPGR-JOCHJYFZSA-N 441.571 6.182 30 10 IKEE O=C(C=Cc1ccc(-c2ccccc2)cc1)Oc1ccc2c(c1)OC(=Cc1cccnc1)C2=O 2323647191 OPOPOXGECSUJOJ-UHFFFAOYSA-N 445.474 5.984 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OCc1ccc(Cl)cc1Cl 2323743534 DYNALWFOXKDVFM-UHFFFAOYSA-N 449.280 6.755 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Cl)c1OCc1ccccc1C 2323758430 JFXODDPORRFKNL-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OCc3ccccc3Cl)c(Cl)c2)c1 2324017402 MLBZWUCJTUUXLP-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OCc1cccc(F)c1 2324058742 ALRMAFLXRFPNLK-UHFFFAOYSA-N 448.534 6.616 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1 2324154502 XVITYMXBYHWNCG-NRFANRHFSA-N 427.544 5.962 30 10 IKEE Cc1cc(O[C@H](C)C(=O)Nc2ccccc2)cc2c1C(=O)C(=CC=Cc1ccccc1)O2 2324405965 YNNWHAUUWTZWSL-LJQANCHMSA-N 425.484 5.573 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OCc2ccccc2C)c(Cl)c1 2324534731 CWOHLBYTNVBKPT-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE CCCCCOc1ccc(C=Nn2cnnc2SCc2cc(C)ccc2C)cc1OC 2325655452 ARQQWFRSJPOIRS-UHFFFAOYSA-N 438.597 5.647 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1cccc(C=CC(=O)c2ccc(C(C)C)cc2)c1 2325750710 LYETVSQHMASFJZ-UHFFFAOYSA-N 442.555 6.779 30 10 IKEE CCCSc1nnc(CCc2ccc(OC)c(OC)c2)n1N=Cc1cccc(Cl)c1 2326211693 NAELLXAAQFJCNY-UHFFFAOYSA-N 444.988 5.118 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1N=Cc1ccc(OC)c(OC(C)C)c1 2326224879 QWBLHOOOYXULLK-UHFFFAOYSA-N 438.597 5.591 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCCC)n1N=Cc1ccc(F)cc1F 2326474165 LXWGARZZXGLBPA-UHFFFAOYSA-N 444.507 5.084 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccccc2)n1N=Cc1ccccc1[N+](=O)[O-] 2330458168 XKBWQHHAHIRPIT-UHFFFAOYSA-N 443.532 5.260 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3)n2N=Cc2cccc3ccccc23)c1 2330468288 KRNCIKVWXPAQLS-UHFFFAOYSA-N 448.595 6.505 30 10 IKEE COc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)CC(C)(C)C 2330615963 NHKNYMDOUNBJSQ-UHFFFAOYSA-N 428.528 6.600 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)C(F)(F)F)c(OC)c2)cc1 2330825945 ISGBSUNKPFWKEP-UHFFFAOYSA-N 436.426 5.410 30 10 IKEE Clc1cccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CCCC2)c1 2331093008 RSCIFTMPGWCHLS-UHFFFAOYSA-N 431.392 6.417 30 10 IKEE Oc1ccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C2CCCC2)cc1 2331094187 QMKCDTIXRSZLSS-UHFFFAOYSA-N 447.391 6.123 30 10 IKEE Oc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2-c2ccco2)cc1O 2331216525 LVFORJYKYMGYSQ-UHFFFAOYSA-N 442.500 5.277 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OC(=O)CCCSC 2331480850 LCKDFIMCKGJLKF-UHFFFAOYSA-N 434.557 6.183 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)c(F)c2)c(Cl)c1)c1ccc(F)c(F)c1 2331557561 KMIIEVDHQDQMQT-UHFFFAOYSA-N 434.772 6.012 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OC(=O)c1ccccn1 2331645598 SKPUZHFBZGELTG-UHFFFAOYSA-N 445.515 5.448 30 10 IKEE C=CCc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)c1ccco1 2331780000 LBZNHHSVLDGIGB-UHFFFAOYSA-N 430.500 6.057 30 10 IKEE CC[C@@H](CCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)CNC(=O)OC(C)(C)C 2339595526 BRNPYRAGYRPSDU-SFHVURJKSA-N 446.397 5.046 30 10 IKEE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)CN1c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2365102923 HFTCOLGGJPMVFQ-YADHBBJMSA-N 447.432 5.073 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1coc(C(F)(F)F)n1 2368003812 KYEFULRWYJDOKS-ZDUSSCGKSA-N 446.223 5.462 30 10 IKEE CO[C@H](C#CC(=O)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1)C1CCCC1 2369586241 KEZQNTRHEZQZRF-LJQANCHMSA-N 436.346 5.187 30 10 IKEE Cc1cc(CN(C)[C@@H]2CC(C)(C)[C@@H]2OCc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2369722887 CGXRGGLJGXJRPX-JWQCQUIFSA-N 449.444 5.110 30 10 IKEE COc1ccc(Oc2cc(NC(=O)OC(C)(C)C)c(C)cc2Br)c(C#N)n1 2370355481 VCQCAVPZWBWWKR-UHFFFAOYSA-N 434.290 5.172 30 10 IKEE Cc1cc(Br)c(OCc2cccc(CC#N)n2)cc1NC(=O)OC(C)(C)C 2370440900 SOBRCFRLHMNWKM-UHFFFAOYSA-N 432.318 5.145 30 10 IKEE C/C=C/CS/C(=N\S(=O)(=O)c1ccc([N+](=O)[O-])cc1)Sc1ccc(Cl)cc1 8815684 UYJRVIXDNKROQI-MEEVVQOPSA-N 442.971 5.395 30 10 IKEE CC(C)Oc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(C(C)(C)C)cc2)C3)cc1 21223852 HDKZYMSKZLGJJI-OFNKIYASSA-N 431.576 5.776 30 10 IKEE Cc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2ccc(C#CC(C)(C)O)cc2)n1 23129432 LXDLLYVLUXEWGE-MUUNZHRXSA-N 435.571 5.141 30 10 IKEE C/C(=N/OCc1ccc(C)cc1)c1cc(-c2ccc(F)cc2)n(-c2cccc(Cl)c2)c1C 35843480 YGLPOLQVSWXJMA-FSGOGVSDSA-N 446.953 7.494 30 10 IKEE O=C1/C(=C/c2c(F)cccc2Cl)Oc2cc(OCc3ccc(Cl)cc3Cl)ccc21 38320978 UEJPDCDHSUXTKD-FBHDLOMBSA-N 449.692 6.981 30 10 IKEE CCCCCCn1c(O)c(C(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c(C)c(C#N)c1=O 38627188 SJQUXEBJSHOLLC-QGZVFWFLSA-N 444.959 5.235 30 10 IKEE C=CCN1C(=O)/C(=C/c2cccc(OC)c2)S/C1=N/c1nc(-c2ccccc2)cs1 39865855 VRTSULBSGWYHNU-QJYUKRAPSA-N 433.558 5.609 30 10 IKEE C=CCOc1cccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccccc2)c1 39878248 RJFLVSFMEZIYIT-RUZDIDTESA-N 437.495 5.724 30 10 IKEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1OC 41289628 CSWCJWFVTINBAO-FMCGGJTJSA-N 430.456 5.156 30 10 IKEE COc1cccc(COc2ccc(Cl)cc2/N=C/c2cc(Br)ccc2O)c1 59478058 YIZNPXBBLUGSGB-WYMPLXKRSA-N 446.728 6.146 30 10 IKEE CC1(C)CS/C(=N/c2cccc(C(F)(F)F)c2)N1C(=O)/C=C/c1ccccc1[N+](=O)[O-] 105128009 UCIRUMCKFSROQL-JWTHATFUSA-N 449.454 5.669 30 10 IKEE C=CCSc1ccccc1N[C@@H](C)c1ccc(Br)cc1Br 109900813 ACABBCDFCJCORX-LBPRGKRZSA-N 427.205 6.663 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\n2c(C)nnc2S)cc1Br 169909258 AYETVADDKAYEON-STZFKDTASA-N 439.423 5.649 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(Oc3ccc(Cl)cc3)cc2)NC(=S)N1C 169935509 HUVZNUXYDHJWHT-HSZRJFAPSA-N 448.975 6.150 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1ccc(C)cc1C 169945276 SMUZDZIRULEBCL-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2cccc(C)c2)cc1 169972049 UTBVWCBMWJRNKP-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2ccc(F)cc2)=C(N2C[C@H](C)O[C@@H](C)C2)C1=O 169985755 CDDSTFHUZMVXCZ-PMACEKPBSA-N 444.591 5.156 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@@H]1c1cccnc1 170009647 YWNWCOINABFUEY-QHCPKHFHSA-N 432.907 5.145 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1cccs1)c1cccc2ccccc12 170154302 JITVSXWNBQOJFU-NRFANRHFSA-N 431.538 5.741 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1cccs1 170161603 DKUODIXPCRHFKY-HSZRJFAPSA-N 445.584 6.445 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2cccnc2)c1 170187120 AYURJQXERVSQNX-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(OCC)c(C)c3)=C(O)C(=O)N2C2CCCC2)c1 170218814 OQZNIXVQLDDIDW-XMMPIXPASA-N 449.547 5.313 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccccc2)c1 170224527 YEYVKCMXTCMJII-DEOSSOPVSA-N 443.499 5.210 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@H]1c1ccccc1F 170252757 NMKMGSFSEBELIV-JOCHJYFZSA-N 425.500 5.336 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccco1 170287949 NYLNDSLPJGICDB-HSZRJFAPSA-N 425.440 5.224 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccco2)cc1C(C)(C)C 170289989 IRYJUHKQWXGKOE-HSZRJFAPSA-N 445.515 5.677 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccc(C)o2)c1 170302041 UPTRSXOQJRDQTI-VWLOTQADSA-N 441.527 5.867 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)c(C)c2)[C@H]1c1sccc1C 170319437 AHISCBRDGAIPOS-NRFANRHFSA-N 441.593 5.922 30 10 IKEE CCN1C(=O)[C@@H](CC(=O)Nc2c(C)cccc2C)SC1=Nc1cc(Cl)ccc1C 252630135 UVGSRIKXBAAQKN-GOSISDBHSA-N 429.973 5.245 30 10 IKEE Cc1c(C=Nc2ccc3oc(-c4ccccc4)nc3c2)c(O)n2c(nc3ccccc32)c1C#N 254506619 VCIYUVFLXGPEJK-UHFFFAOYSA-N 443.466 5.932 30 10 IKEE O=C1[C@H](Cc2ccc(F)cc2)SC(=NN=Cc2ccc(Cl)cc2)N1Cc1ccco1 254630258 DCUGRKVJPDVMFU-FQEVSTJZSA-N 441.915 5.149 30 10 IKEE Cc1ccc(N=C2SCCCN2C(=O)/C=C/c2ccc(Br)o2)cc1Cl 254847201 WSHFDUWLVADLPY-JJHJDJARSA-N 439.762 5.670 30 10 IKEE Cc1[nH]c2ccccc2c1[C@@H]1C(c2ccc(Cl)cc2)=C(O)C(=O)N1c1ccc(C#N)cc1 526487569 BPNBLXAHRQCSKA-XMMPIXPASA-N 439.902 6.059 30 10 IKEE CCCc1nnc(SCc2ccccc2)n1/N=C\c1cc(Cl)c(OC)c(Cl)c1 526800877 ZFTXVBLGLYODDU-FMCGGJTJSA-N 435.380 5.721 30 10 IKEE CCOc1cc(/C=N\n2c(CC)nnc2SCc2cccc(C)c2)cc(Cl)c1O 526808295 RNRWXOZWQZVKRP-FMCGGJTJSA-N 430.961 5.081 30 10 IKEE C=CCCN(c1ccc(Br)c(C)c1)S(=O)(=O)c1cc(C)c(C)cc1OC 586217551 GGTYKEARYIHZNS-UHFFFAOYSA-N 438.387 5.154 30 10 IKEE C=CCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1cc(Cl)ccc1OC 586257413 IYFSHHBSLJJTGG-UHFFFAOYSA-N 443.952 5.309 30 10 IKEE C=CCSC1=NN2[C@H](c3cccc(Oc4ccccc4)c3)Nc3ccccc3[C@@H]2C(=O)N1 588229222 NYBKUWCZLAXXFC-DHIUTWEWSA-N 442.544 5.266 30 10 IKEE CSc1cccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)c1 686952539 ORXRQMSLBKNRNK-SFHVURJKSA-N 433.371 6.177 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCC[C@@H](C(F)(F)F)C1 698495633 DOJZODIJCJUNBH-ACJLOTCBSA-N 447.295 6.205 30 10 IKEE CC(C)(C)OC(=O)N(C1CC1)[C@@H](C#N)c1ccc(Br)c(Br)c1 698849043 DUWFPJVKJZYNGD-AWEZNQCLSA-N 430.140 5.176 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@H](C#N)c1cccc(Br)c1Cl 706533808 AZICYGPJWZNLAI-MRXNPFEDSA-N 439.712 6.248 30 10 IKEE C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@@H](C)C(C)(C)O)C[C@H](O)C[C@H]1O 1083807085 ZGLHBRQAEXKACO-WUPXLNRGSA-N 428.657 5.727 30 10 IKEE Cc1ccc(COc2ccccc2/C=C2\SC(=Nc3ccncc3Cl)N(C)C2=O)cc1 1772731837 AYGFLCAOKCFZKZ-WOZVDNMVSA-N 449.963 5.856 30 10 IKEE O=C1/C(=C\c2ccc(O)c(O)c2)SC(=Nc2cccnc2Cl)N1C1CCCCC1 1772732425 DZHQTKBFMQNWCB-WEHZRUJJSA-N 429.929 5.083 30 10 IKEE Fc1cccc(-n2cc(/C=N\NC(=S)Nc3ccccc3)c(-c3cccc(Cl)c3)n2)c1 1857808882 LCBXJWIONLZUEK-WGARJPEWSA-N 449.942 5.652 30 10 IKEE N#Cc1cccc(C(=O)Nc2ccc(Cl)c(NC(=O)CCn3ccc4ccccc43)c2)c1 1860460643 QFSMNJMBUCPEPR-UHFFFAOYSA-N 442.906 5.447 30 10 IKEE O=C(/C=C/c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(OCc2ccccc2)cc1 1860726966 OQTQRVMBWYICKK-NTUHNPAUSA-N 426.299 5.793 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 1861670078 LGZWKSGGPFOTKP-DENIHFKCSA-N 439.040 5.649 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1sccc1C 1861734204 RJLGOXSVPXPGMS-JOCHJYFZSA-N 446.632 5.794 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1cccc(F)c1 1862385787 XVJZJPFCFCRCGM-LJQANCHMSA-N 436.310 5.757 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2ccc(O)c(OC)c2)cc1 1862397214 OKJGBLSLQXPGCV-HJPURHCSSA-N 437.536 5.120 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CCCC2)cc1 1862418960 OLBUVTZTYDCZFH-JOCHJYFZSA-N 441.474 5.275 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@H]2c2ccc(F)cc2)cc1 1862430574 NEMPXIXNIWQDDO-HSZRJFAPSA-N 449.909 5.609 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(F)cc1)c1cccc(Cl)c1 1862441776 CRGQFUYRIYWXSP-JOCHJYFZSA-N 435.882 5.300 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862452712 JAESGMXSJNJPGR-GOSISDBHSA-N 449.290 5.136 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1cccc(OC)c1 1862458764 VHXSOBQUDLBAQS-NRFANRHFSA-N 447.453 5.271 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2c(F)cccc2Cl)cc1 1862480865 QNBHJBSPODAZBB-VQPPSCEASA-N 441.930 5.945 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccc(C)cc2)cc1 1862488706 GVPSAJMXTYDXEL-AREMUKBSSA-N 439.555 5.953 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccccc2C)ccc1F 1862506760 ARURNXLKDWRJGG-DEOSSOPVSA-N 435.539 6.134 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccc(Cl)cc2)cc1 1862507358 JLDVUKLFPHRTDI-HSZRJFAPSA-N 449.909 5.874 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2ccc(F)cc2F)cc1 1862534121 OKJYJVIPSLGWPW-XMMPIXPASA-N 447.481 5.614 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(N)c2)=C(O)C(=O)N1CCCCc1ccccc1 1862555313 USMUVIXSRPHWCB-VWLOTQADSA-N 440.543 5.178 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccc(Cl)cc2)c1 1862557667 NTNKUEIFGJUELU-QFIPXVFZSA-N 438.955 5.613 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(C)cc1 1862581093 YOMDUQPTMASYSB-HXUWFJFHSA-N 432.347 6.070 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(C(C)(C)C)cc1 1862631544 QIKLQMHIBZBDAY-QHCPKHFHSA-N 449.547 5.337 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccc1 1862649131 QTQRTKCMBWQPFE-SIBVEZHUSA-N 433.507 6.179 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc(Br)c1 1862656511 HSICFQINTUMSDN-HXUWFJFHSA-N 436.305 5.201 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(F)cc2)=C(O)C(=O)N1CCc1ccc(Cl)cc1 1862674571 PCZOBWJCFLHYSE-QHCPKHFHSA-N 449.909 5.609 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccc(Cl)c2)cc1 1862689804 ZWWNCWPFDCLSAX-FQEVSTJZSA-N 439.920 5.189 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(Cl)cc1Cl 1862689990 FAQLJBANBFYTOX-CWTRNNRKSA-N 434.319 5.379 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc(F)cc2F)c1 1862701994 REEFINBEJGPTIC-JEWAVWJGSA-N 441.474 5.130 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cccc(Cl)c1 1862740857 IIFDHWNGYCYUHT-HXUWFJFHSA-N 442.899 5.407 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)NC[C@@H](O)c1ccc(Cl)cc1 1866029724 DGVPUYLYSRWYPE-RUZDIDTESA-N 438.096 7.751 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(Cl)cc1C(=O)O 1866029865 MFLMGPUNINTKII-UHFFFAOYSA-N 438.052 8.238 30 10 IKEE CCCCCCCCCCn1cc(OCc2cccc(C)c2)c(=O)cc1CSCCO 1870171064 KNIQDCRLWGKMTA-UHFFFAOYSA-N 445.669 6.102 30 10 IKEE CCCCCCCCCCn1cc(OCCCC)c(=O)cc1CSc1ccccn1 1870182838 TWFULMORFAXKPS-UHFFFAOYSA-N 430.658 6.855 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)OCCCC)c(=O)cc1CSCC 1870216083 LSSMHUBIEDJOHC-UHFFFAOYSA-N 439.662 5.964 30 10 IKEE CCCCCCCCn1cc(OCCC(=O)OCC)c(=O)cc1CSc1ccccc1 1870266491 AMMPOLUCPNYGKZ-UHFFFAOYSA-N 445.625 5.833 30 10 IKEE CCCCCCCOc1cn(C[C@@H](c2ccccc2)N2CCCC2)c(CN(C)C)cc1=O 1870414632 TXPYPWRFNXGUJU-VWLOTQADSA-N 439.644 5.096 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCOc2ccc(Cl)cc2)cn1CCCCC 1870458866 YDRFADLPHLTHFP-UHFFFAOYSA-N 445.003 5.324 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2)c(CNc2ccc(Cl)cc2)cc1=O 1870833761 RIDVJSVZTHJCRG-UHFFFAOYSA-N 438.999 6.511 30 10 IKEE CCCCCCCOc1cn(CCCCC)c(CNc2ccc(OC)cc2C)cc1=O 1870837739 WMXVFIKFXIDBBN-UHFFFAOYSA-N 428.617 6.317 30 10 IKEE C#CCOc1cn(CCN(CC)CC)c(CNc2cc(C(C)C)cc(C(C)C)c2)cc1=O 1871008026 CYASTXDQRUAVFV-UHFFFAOYSA-N 437.628 5.061 30 10 IKEE CCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CNc1cccc(Cl)c1 1871257026 AKTGVCNADSZONN-UHFFFAOYSA-N 433.036 6.899 30 10 IKEE COc1ccc([C@@H](C)N2COc3c(cc4c(c3C)O/C(=C\c3ccccc3C)C4=O)C2)cc1 1871358737 AZFNDHVYMMIDAO-LPANUZLBSA-N 441.527 5.841 30 10 IKEE Cc1c(OC(=O)CC2CCCCC2)ccc2c1O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 1871380548 UPPUEDBOZMXDMB-MTJSOVHGSA-N 445.342 6.794 30 10 IKEE CCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2)C3=O)cc1OC 1871384236 TUONLZLGZYAEFE-VNRVJKOKSA-N 442.467 5.329 30 10 IKEE Cc1cc(OC(=O)c2ccc(OC(=O)C(C)C)cc2)cc2c1C(=O)/C(=C/c1ccccc1)O2 1871390607 FCSCRPHSYQNLGW-UCQKPKSFSA-N 442.467 5.392 30 10 IKEE Cc1ccc(OCCCOc2cc(C)c3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871405358 KHAZUZGBPTWAMH-IWIPYMOSSA-N 434.919 6.421 30 10 IKEE CCOc1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O 1871418404 RREQRJQPPITXGP-QRVIBDJDSA-N 449.890 5.372 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc(OCCC(=O)OCCC(C)C)c3C)C2=O)cc1 1871429755 WVEKZSKOGWHGHI-KQWNVCNZSA-N 438.520 5.368 30 10 IKEE CCOCCOC(=O)[C@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871434911 VSQPRNGZLXBKQK-PVFDWLMNSA-N 438.520 5.082 30 10 IKEE COc1cc(/C=C2\Oc3cc(OCCc4ccc(C)cc4)ccc3C2=O)cc(OC)c1OC 1871437532 GFESFIYRFWPXMP-QRVIBDJDSA-N 446.499 5.259 30 10 IKEE CCCCCCCCN=c1nc(N2CCC[C@H](C)C2)[nH]c(=NCCCCCCCC)[nH]1 1871468522 DDUQDPQTTNNXBW-QFIPXVFZSA-N 432.701 5.497 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)CCCC 1871815384 BQRDGWCGQIWNPC-IBGZPJMESA-N 448.551 5.211 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cccc(F)c1)[C@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1871987687 JLOFHZZQTHWJEE-HXOBKFHXSA-N 446.588 5.063 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1cc(C)ccc1C 1872089662 UWROXYORXQSPPX-HSZRJFAPSA-N 442.625 5.240 30 10 IKEE C=CCN([C@@H](CC(C)C)C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)S(=O)(=O)C1CC1 1872323901 HAOJMSJXNAJGPV-QHCPKHFHSA-N 434.646 5.267 30 10 IKEE C=C(C)CN([C@H](CC)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872450646 HSKYHXJCLSVYIC-HSZRJFAPSA-N 442.625 5.411 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccc(CC)cc3)n2)cc1 1872767912 DRMVSJBGDIICFX-JOCHJYFZSA-N 434.561 5.807 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccc(Cl)cc3)n2)cc1 1872770191 MSVROXBLFYBVCC-YWZLYKJASA-N 440.952 5.896 30 10 IKEE Cc1cc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)ccc1F 1872773326 YSWDXBNQDXEGSU-IUODEOHRSA-N 449.334 6.208 30 10 IKEE COc1ccccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872779008 ZIDSGYAOBLHUSE-OAQYLSRUSA-N 426.497 6.101 30 10 IKEE N#C[C@@H](C(=O)CCCOc1ccccc1Cl)c1nc(-c2ccc(F)c(F)c2)cs1 1872779087 BCPFVSBGCXKYBP-AWEZNQCLSA-N 432.879 5.777 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)COc2cccc(C)c2C)n1 1872785860 BBHVJAWSOCLVFF-GOSISDBHSA-N 440.952 5.653 30 10 IKEE CCCCCCCCNC(=O)c1ccc(COc2ccc(OC)cc2C(C)(C)C)cc1 1872856536 NWLSVAQOLJLHIE-UHFFFAOYSA-N 425.613 6.662 30 10 IKEE Cc1nc(SCc2ccc(C(=O)Nc3ccc(F)cc3Cl)cc2)c(C#N)c(C)c1C 1872895148 FHOQKGGIOVXOAC-UHFFFAOYSA-N 439.943 6.216 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2c(C)cc(C)cc2C)C1=O 1873327793 CYSKNCVADLLDLY-HSZRJFAPSA-N 443.591 6.034 30 10 IKEE CCCSc1nnc(C(C)C)n1/N=C/c1cccc(OCc2ccccc2Cl)c1 1873503300 GZPBZJDWMXFGSM-ZVHZXABRSA-N 428.989 6.018 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(Cl)c2C)cc2c(N(CC)CCCC)ncnc21 1873654708 RLLDKXKTVDDSNF-UHFFFAOYSA-N 425.964 5.458 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(C(F)(F)F)cc1)n2CCC 1873657084 XBESTOGUTXZMPM-UHFFFAOYSA-N 443.473 5.291 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](C)Oc1cc(C)cc2oc(=O)cc(CCC)c12 1873935687 WCGKMWHLXACELV-HXUWFJFHSA-N 429.601 6.078 30 10 IKEE Cc1ccc(/C=N/n2c(CCc3ccccc3Cl)nnc2SCc2ccccc2)cc1 1874279146 WDQPJFHSRQEKHL-WPWMEQJKSA-N 447.007 6.200 30 10 IKEE CCCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1cccc2ccccc12 1874284331 ANMXBUKUHHWXSO-YZSQISJMSA-N 434.996 6.254 30 10 IKEE CCCCC1CCC(c2nnc(SCC(=O)OC)n2/N=C/c2cccc(C)c2)CC1 1874287360 ANRUKUSQWSVBQY-BUVRLJJBSA-N 428.602 5.198 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OCC)cc2)n1/N=C/c1cn(C)c2ccccc12 1874303574 GOSHPCWQNOLERF-CVKSISIWSA-N 445.592 5.310 30 10 IKEE CCSc1nnc(COc2cccc(C)c2C)n1/N=C/c1ccc(Br)cc1 1874323967 QRSXTZIYDDZKSC-WSDLNYQXSA-N 445.386 5.231 30 10 IKEE CCCSc1nnc(COCc2ccccc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874354920 IMGXASLRAGRYRZ-DHRITJCHSA-N 434.487 5.398 30 10 IKEE Cc1cccc(/C=N/n2c(CCc3ccccc3C)nnc2SCc2ccccc2F)c1 1874362509 INNCGGFNGPAQDS-OGLMXYFKSA-N 444.579 5.994 30 10 IKEE COc1cccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccc(C)cc2)c1 1874405264 OSPHKZAHITWRAT-YZSQISJMSA-N 434.609 5.892 30 10 IKEE Cc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCC(=O)Nc2cc(C)cc(C)c2)cc1 1874437723 PLYXGZDCXKZMRT-CVKSISIWSA-N 449.624 5.405 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccccc1Cl 1874440399 ZASMLSUSMJLYDD-JVWAILMASA-N 449.023 6.848 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C2CCCC2)cc1 1874457057 YBUNRAYOMHCHQY-WYMPLXKRSA-N 447.391 6.123 30 10 IKEE Clc1cccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2-c2ccco2)c1 1874467347 DSDLBGKOZQGMJK-CVKSISIWSA-N 444.947 6.519 30 10 IKEE C=C(C)CSc1nnc(CC(C)C)n1/N=C/c1ccc(OCc2ccccc2C)cc1 1874490017 VTLPXJZXICLERQ-CVKSISIWSA-N 434.609 5.914 30 10 IKEE Cc1ccc(COc2ccccc2/C=N/n2c(S)nnc2[C@@H](C)c2ccccc2)cc1 1874561151 GCXVMKPSEVSPCG-JHKMYFMNSA-N 428.561 5.488 30 10 IKEE COc1cccc(C(=O)/C=C/c2c(OCc3c(F)cccc3Cl)ccc3ccccc23)c1 1874572627 XLJSPGFNEGUWIS-BUHFOSPRSA-N 446.905 7.116 30 10 IKEE O=C(/C=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)c1ccccc1Cl 1874574950 MZKMQTLHFRJIGY-CCEZHUSRSA-N 443.886 6.877 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccccc2Cl)c1OCC(=O)Nc1cccc(C)c1 1874575154 YMVIYRYIKJSYJL-BUHFOSPRSA-N 435.907 5.571 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)N[C@@H](C)c2ccccc2)cc1 1874579824 KNWNKZNPKRYLAD-RHYRFBSLSA-N 443.543 5.628 30 10 IKEE Cc1ccc(NC(=O)COc2ccccc2/C=C/C(=O)c2cccc3ccccc23)c(C)c1 1874582314 IMOJDUBTLWIYRW-BMRADRMJSA-N 435.523 6.370 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccccc2OCc2cc(C)ccc2C)cc1C(C)C 1874585053 KHRJJBVZTAHWPV-BUHFOSPRSA-N 428.572 7.219 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3ccccc3)c2)cc1 1874593557 POFMGKPUWHWYNH-GHRIWEEISA-N 443.543 5.951 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccc(C)cc3C)c2)c1 1874597157 XCKXDIJMGNIQSI-FMIVXFBMSA-N 445.515 5.234 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(OC)c1OCC(=O)OCCC 1874602899 FEIUVTARXMBPIF-SDNWHVSQSA-N 444.527 5.805 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3Cl)c([N+](=O)[O-])c2)cc1 1874607392 LRCVBOAWKAYHTK-RVDMUPIBSA-N 449.934 7.066 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(OC)c1OCc1ccc(F)cc1 1874609417 QCQCZZMPSYWVLO-OVCLIPMQSA-N 432.491 6.047 30 10 IKEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3cccc(Cl)c3)cc2Cl)o1 1874612069 APQPPWBMVWGRBN-VMPITWQZSA-N 431.271 5.848 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc([N+](=O)[O-])c1OCc1ccc([N+](=O)[O-])cc1 1874614515 KOPAVLAUQJUREC-JLHYYAGUSA-N 448.431 5.377 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc3ccccc23)c(Cl)c1)c1cccc2ccccc12 1874623546 ILVGYVNACYCVHQ-BMRADRMJSA-N 448.949 8.122 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3nccs3)cc2)c2ccccc12 1874638062 GVOXTMVVAALNLG-XYOKQWHBSA-N 444.512 5.219 30 10 IKEE CCOc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c(OC)c3)c2)cc1 1874694015 ICRLYAMZUHCBJB-RIYZIHGNSA-N 432.472 5.218 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)c2)cc1 1874694685 PCEBVRHTKJRZEP-SDNWHVSQSA-N 446.499 5.390 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3cc(C)ccc3C)c2)cc1 1874696844 OCMFHWQGHQPKJH-NTUHNPAUSA-N 430.500 5.365 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1OC(=O)c1cccc(F)c1 1874710435 BTPZMRHXYVSWPU-PKNBQFBNSA-N 432.491 6.183 30 10 IKEE COc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3c(C)cc(C)cc3C)c2)cc1 1874716426 RCPHCSKUHJVFBH-MDWZMJQESA-N 430.500 5.501 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(CC)cc3)cc2OC)cc1 1875101795 RBDFCMIIJQWLNQ-SFQUDFHCSA-N 442.555 6.254 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCOC)cc2)cc1OCCC 1875124219 UYORGQVCCFXZDE-XYOKQWHBSA-N 426.509 5.102 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)Cc1ccc(Cl)cc1 1875133900 LCPWFMLQVQEDGO-MDWZMJQESA-N 448.946 6.400 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)c3ccccc3)c(Br)c2)cc1 1875135855 KSHPXILPBXDAHM-MDNBWPLSSA-N 449.344 6.363 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3Cl)c([N+](=O)[O-])c2)c1 1875139316 CHNQOOAZKYVAEG-PKNBQFBNSA-N 435.863 5.980 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)Cc1ccc(F)c(C)c1 1875157360 UQKJCKWQCUJYSV-AWNIVKPZSA-N 446.518 6.310 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3cccs3)c(Cl)c2)c1C 1875168824 WFEUGBOWUPYCQV-VQHVLOKHSA-N 438.976 6.679 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)CCc2ccc(Cl)cc2)cc1 1875169937 VBZCDBLHTUBCKZ-RIYZIHGNSA-N 448.946 6.400 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 1875179131 UYMCUFQTURXYED-VMPITWQZSA-N 444.571 6.330 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc(OC)c1OC(=O)C1CCC1 1875190494 KBQZCCMAPMRQJZ-DHZHZOJOSA-N 445.342 6.332 30 10 IKEE CC#CCCC[C@H](NCCC)c1cc(Br)ccc1I 1879648148 UDDBIZKYOUALNR-INIZCTEOSA-N 434.159 5.288 30 10 IKEE C=CCC1(Oc2cc(Br)c(Cl)cc2N)CCN(C(=O)OC(C)(C)C)CC1 1903059428 IBFPPWXAABEDPP-UHFFFAOYSA-N 445.785 5.409 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](O)c1sc(CC)cc1Br 1922053715 DXROFLHHTXKVLJ-VQTJNVASSA-N 438.431 5.248 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C 1922107150 JSNSNVKFMMMGER-RPBOFIJWSA-N 436.596 5.100 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 1922107204 JYKWQEGTJLWRJZ-HSZRJFAPSA-N 442.625 5.465 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[C@@H]1C 1922121823 ZUNOTXYPWCIKJZ-SJROBZAFSA-N 430.633 5.409 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1930146981 BOHSQIKQFUVVAQ-CPJSRVTESA-N 443.588 5.401 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 1944593736 NGNAIABXSJUNBD-HOYKHHGWSA-N 435.609 5.533 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2000548559 OSDTXPRZEBWZLG-SPMMERNZSA-N 433.593 5.142 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1c(F)cccc1Cl)c1ccccc1 2033814165 ZOFKQOGLWTWPFW-IBGZPJMESA-N 427.884 5.319 30 10 IKEE Cc1nc2ccccc2c(-c2ccc(Cl)cc2)c1C(=O)C=Cc1ccc(F)c(Cl)c1 2053622989 YQTDELXGHMYGQY-UHFFFAOYSA-N 436.313 7.552 30 10 IKEE CC[C@@H]1[C@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)CC[C@]1(C#N)NC(C)C 2058737663 KFTKAOUHSYTVGK-JCYYIGJDSA-N 432.656 5.070 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)[C@@H]1C1CC1 2067949816 GETJXFOULRSWQC-NBGIEHNGSA-N 447.620 5.628 30 10 IKEE N#Cc1c(C2CC2)nn([C@H](c2ccc(C3CC3)cc2)C2CC2)c1I 2079026463 CBXSVNPCZLQIPF-LJQANCHMSA-N 429.305 5.114 30 10 IKEE CC(C)(C)[C@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)(F)F)c(CN)c1Cl 2079848136 DCGYXSYLQVQDJY-ZDUSSCGKSA-N 431.783 5.807 30 10 IKEE CC1([C@@H](c2ccc(C(F)(F)F)c(F)c2)n2nc(C(F)F)c(C=NO)c2Cl)CC1 2079863154 RGWGIKAPAQEROC-CYBMUJFWSA-N 425.760 5.830 30 10 IKEE Cc1nn([C@H](c2ccc(C(F)(F)F)cc2F)C2(C)CC2)c(Br)c1C=NO 2079881572 WBPJQJLRRQHNHW-CQSZACIVSA-N 434.231 5.310 30 10 IKEE N#Cc1c(C2CCOCC2)nn(Cc2ccc(C(F)(F)F)c(Cl)c2)c1Br 2080348355 JHEXRLYUNKHBRG-UHFFFAOYSA-N 448.670 5.132 30 10 IKEE Cc1cc(Br)cc(-c2cc(Cl)n3nc(C4CCCCC4)c(C#N)c3n2)c1 2081164507 ZGOSCLJTLQCHMM-UHFFFAOYSA-N 429.749 6.040 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)c(C)n1 2100784850 SDXNOQJLDMZHHN-WMZOPIPTSA-N 426.399 5.053 30 10 IKEE CN(CCN(Cc1ccccc1)[C@H]1CC(C)(C)C[C@](C#N)(NC2CC2)C1)Cc1ccccc1 2127174931 WXIOQTPDXNVUBZ-LMSSTIIKSA-N 444.667 5.214 30 10 IKEE Cc1c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)c(Br)nn1C 2131582857 VXIJOEJTBOTACA-CQSZACIVSA-N 439.741 5.151 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCCC12CCNCC2 2144619679 FNIFYURTZZQQIX-OAQYLSRUSA-N 434.378 5.007 30 10 IKEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H](CNc2cc(Br)cc(F)c2C#N)C1 2163687795 IJNSPIDTHXHTEM-ZDUSSCGKSA-N 440.357 5.155 30 10 IKEE CC1(C)CC[C@@H](CNc2cc(Br)cc(F)c2C#N)N(C(=O)OC(C)(C)C)C1 2163711434 QNQNHSCXOXOJRE-AWEZNQCLSA-N 440.357 5.297 30 10 IKEE Cc1c(Cl)cc(COc2cccc(B3OC(C)(C)C(C)(C)O3)c2)cc1Br 2167560735 TYCHKLZFHPOCDP-UHFFFAOYSA-N 437.570 5.289 30 10 IKEE CCCC1(NC(=O)OC(C)(C)C)CCN(c2cc(Br)cc(F)c2C#N)CC1 2174809108 WCUUFRCCFBHWTL-UHFFFAOYSA-N 440.357 5.124 30 10 IKEE CCC[C@]1(C(=O)C#Cc2ccccc2Br)CCCN(C(=O)OC(C)(C)C)C1 2235732254 RLWWHRPZOTVURQ-QFIPXVFZSA-N 434.374 5.187 30 10 IKEE CCc1ccc(NC(=O)OC(C)(C)C)c([C@@H](N)C#Cc2ccccc2Br)c1 2235748541 AHHARWBHENADHD-IBGZPJMESA-N 429.358 5.410 30 10 IKEE C=C1C[C@@H]1C[C@@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2262969035 JEKXTZVBKBGODT-XNMGPUDCSA-N 429.560 5.827 30 10 IKEE C=CCCC1([C@H](O)Cc2cccc(Cl)c2Br)CN(C(=O)OC(C)(C)C)C1 2266303047 RTHMGZVBRZKVPA-MRXNPFEDSA-N 444.797 5.209 30 10 IKEE Cc1cc(OCc2ccccc2)ccc1NC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2267288640 FJJPJTVVQHBYJM-UHFFFAOYSA-N 449.381 5.187 30 10 IKEE COc1cc(C=C2Oc3cc(OCc4ccccc4F)ccc3C2=O)cc(OC)c1OC 2296867394 MNIPXZHJJJJJIV-UHFFFAOYSA-N 436.435 5.047 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C 2299161483 LJOUBSRLCIYBJI-OALUTQOASA-N 429.561 5.274 30 10 IKEE Cc1ccc(-c2ccc(C=CC(=O)Nc3ccc(C4(C#N)CCCC4)cc3)o2)c([N+](=O)[O-])c1 2313961471 JLJQLMAHRDJXMY-UHFFFAOYSA-N 441.487 6.151 30 10 IKEE COc1cccc(C=C2Oc3cc(OCc4c(F)c(F)c(F)c(F)c4F)ccc3C2=O)c1 2314438056 GHJGGWLYXIKVLF-UHFFFAOYSA-N 448.343 5.586 30 10 IKEE CCN1C(=O)C(=Cc2ccccc2OCc2ccc(C)cc2)SC1=Nc1cccnc1 2314540934 BOJRBDWOIUIDMI-UHFFFAOYSA-N 429.545 5.593 30 10 IKEE CC(=O)C1=C(C)N=C2N=C(SCc3ccccc3Cl)NN2[C@@H]1C=Cc1ccccc1 2314810443 INIBGDKMECVOPM-HXUWFJFHSA-N 436.968 5.064 30 10 IKEE CCCCCCCCCCCCCCCCn1c(C=Cc2ccco2)nc2ccccc21 2314899023 LJNZIHIWQRBSHD-UHFFFAOYSA-N 434.668 9.281 30 10 IKEE CCCN[C@@](C#N)(CCC1CC1)CN(CCN(C)Cc1ccccc1)Cc1ccccc1 2318404310 CTNZJYJTQQUFSM-MUUNZHRXSA-N 432.656 5.073 30 10 IKEE CCCc1nnc(SCc2ccccc2)n1N=Cc1ccc(-c2ccc(C(=O)O)cc2)o1 2321767396 GXCSHSCDCXCCOS-UHFFFAOYSA-N 446.532 5.363 30 10 IKEE COc1ccc(OC)c(C=C2Oc3c4c(cc(C)c3C2=O)OCN([C@@H]2CCCC[C@H]2C)C4)c1 2322146226 UMJLATCJXAWEOB-IIBYNOLFSA-N 449.547 5.359 30 10 IKEE COc1cccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2cccc(C)c2)C4)c1 2322217874 HGXGZLCCNRRHNT-UHFFFAOYSA-N 427.500 5.280 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1cccc(Cl)c1)c1ccc2c(c1)CCCC2 2322335688 QHODTENYUZKMNJ-UHFFFAOYSA-N 437.366 7.347 30 10 IKEE Cc1c2c(cc3c1OC(=CC=Cc1ccccc1)C3=O)CN(CCOc1ccccc1)CO2 2322339182 QSQBCISUAREEIH-UHFFFAOYSA-N 439.511 5.398 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2)c1 2322374046 UICJZAITHPIULK-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)N[C@@H](C)c2ccccc2)c(C)c1 2322572724 WZCGNCBKUIDRJL-FQEVSTJZSA-N 447.962 6.109 30 10 IKEE Cc1ccc(NC(=O)COc2ccccc2C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1C 2322681296 SWFHTSQSPSXWDU-UHFFFAOYSA-N 441.571 6.515 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccccc2Cl)cc1 2322687542 XHMAIJNXNPDHPQ-UHFFFAOYSA-N 439.382 7.766 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc(F)c(F)c1 2322781770 QSFNHFLCPIORGM-UHFFFAOYSA-N 435.898 5.542 30 10 IKEE O=C(Cc1ccccc1)Oc1ccc2c(c1)OC(=Cc1ccccc1Br)C2=O 2322884431 SDCJJOOSQRUFCB-UHFFFAOYSA-N 435.273 5.213 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2ccc(Cl)cc2)cc1Cl 2322981247 XABVHFKKSFTHAB-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE Cc1cc(OC(=O)c2ccc(F)c(F)c2F)cc2c1C(=O)C(=Cc1ccc(Cl)cc1)O2 2323126978 IOLYXFDWIGEALL-UHFFFAOYSA-N 444.792 5.901 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)C=Cc1ccc(OC)cc1OC 2323496209 OPUQXJCXQJYNNI-HSZRJFAPSA-N 446.632 5.259 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Cl)c1OCc1cc(C)ccc1C 2323719293 FJBJRVPJSAAYFT-UHFFFAOYSA-N 442.889 6.719 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)cc(OC)c1OCc1cccc(Cl)c1 2323720006 APISPVZEWNZAIF-UHFFFAOYSA-N 444.861 6.111 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Cl)c1OCC(=O)Nc1ccccc1 2323943448 RVCYAJCZFGKRNO-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1 2324155787 RINOKIIAEXRPIB-UHFFFAOYSA-N 427.544 6.286 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(OC)c1OCc1cccc(F)c1 2324241369 NHCSCJLIPXLUDW-UHFFFAOYSA-N 428.406 5.596 30 10 IKEE CCOc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2C)C3=O)cc1 2324521604 YARAGBMWCOFBFR-SFHVURJKSA-N 443.499 5.416 30 10 IKEE Cn1cc(C=C2Oc3cc(OCCOc4ccccc4F)ccc3C2=O)c2ccccc21 2324853004 KNOLOPIAZCUERF-UHFFFAOYSA-N 429.447 5.391 30 10 IKEE CC(C)CCOC(=O)CCOc1ccc2c(c1)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2325103463 CMGOUCZBOWFPDH-UHFFFAOYSA-N 449.330 5.968 30 10 IKEE CC(C)CCOC(=O)CCOc1ccc2c(c1)OC(=Cc1c(Cl)cccc1Cl)C2=O 2325103478 FKBIMKABGZFCAG-UHFFFAOYSA-N 449.330 5.968 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1cccc(Cl)c1)C2=O 2325141861 DYCSRUSVBNWYLB-KRWDZBQOSA-N 447.918 5.979 30 10 IKEE Cc1cc(OCC(=O)NC2CCCCC2)cc2c1C(=O)C(=Cc1cccc(Cl)c1)O2 2325324511 ULEIONVGPPYYEV-UHFFFAOYSA-N 425.912 5.092 30 10 IKEE CCCOc1ccccc1C=Nn1c(CC)nnc1SCc1ccc(Cl)c(Cl)c1 2325610584 WJUBWFVKNBTAJT-UHFFFAOYSA-N 449.407 6.111 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4c(C)cc(C)cc4C)ccc3C2=O)cc1 2325736661 OQAIRRCSMYKFDC-UHFFFAOYSA-N 441.527 5.808 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2cccc(OC(=O)COc3ccccc3)c2)c1 2325758260 ISVJIMBFWPMSEB-UHFFFAOYSA-N 446.499 5.365 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3cccs3)c2)c2ccccc12 2325776180 CSGMMXNFOLGXQX-UHFFFAOYSA-N 428.509 5.954 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3sccc3C)c2)c(OC)c1OC 2325786769 VIYOWPDMCOKZEM-UHFFFAOYSA-N 438.501 5.198 30 10 IKEE CCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1N=Cc1cccc(F)c1 2325840970 CHOKRBPTVHXANX-UHFFFAOYSA-N 440.588 5.721 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccccc1OC 2326540994 QEAWYFHTGXYNOM-UHFFFAOYSA-N 430.961 5.212 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3)n2N=Cc2ccc(C)o2)c1 2326603673 ZVBGBMFWAAWAIS-UHFFFAOYSA-N 430.577 5.756 30 10 IKEE OCCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccccc1Cl 2326958133 HWSHLPBQBREPBG-UHFFFAOYSA-N 445.032 5.047 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2Cl)n1N=Cc1ccc(CC)cc1 2327649287 IEZWHHMQJPIRMS-UHFFFAOYSA-N 426.973 5.623 30 10 IKEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1cn(C)c2ccccc12 2328075314 SMRBHTLVHWQMSJ-UHFFFAOYSA-N 435.984 5.369 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc(OC)c2)n1N=Cc1ccc(C(C)C)cc1 2328636509 QDGMRGDOYJTJNG-UHFFFAOYSA-N 434.609 5.746 30 10 IKEE Cc1cccc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccc([N+](=O)[O-])cc2)c1 2330251628 UXNLXVAXAWKAOT-UHFFFAOYSA-N 449.580 5.792 30 10 IKEE COC(=O)c1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2-c2ccccc2)cc1 2330651590 UFXLMMOGFHPHOK-UHFFFAOYSA-N 446.507 5.045 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3cccc(OC)c3)cc2)cc1 2330775759 HOINVUQTZKZZEP-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE C=CCSc1nnc(CC(C)(C)C)n1N=Cc1ccc(OCCCCC)c(OCC)c1 2330856580 RTVHOWOLUXVCBQ-UHFFFAOYSA-N 444.645 5.995 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc(Cl)c2)n1N=Cc1cccc(Cl)c1 2330873370 INMBEXAWNRAXDV-UHFFFAOYSA-N 433.408 6.348 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(Br)c2)cc(OC)c1OC(=O)C1CC1 2331007200 GBINNVWTZNWPHS-UHFFFAOYSA-N 441.321 5.398 30 10 IKEE O=C(CSc1nnc(C2CCCC2)n1N=Cc1c[nH]c2ccccc12)Nc1ccccc1 2331021307 JWBNQBXUBURMTE-UHFFFAOYSA-N 444.564 5.030 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)c1cncc(C)c1 2331138231 SGHADPWNOZIXQX-UHFFFAOYSA-N 442.298 5.821 30 10 IKEE Cc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2Br)c1 2331224871 YACZXYKHOVVRMT-UHFFFAOYSA-N 449.344 6.490 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1ccccc1C 2331292904 TZBAHMDHRMCDMW-UHFFFAOYSA-N 426.512 6.156 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCO4)cc2Cl)cc1 2331437831 NEICNIXVWSZSHT-UHFFFAOYSA-N 436.847 5.193 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1 2331491583 SZDPGJFWENFHTD-UHFFFAOYSA-N 449.344 6.688 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)C3CCCC3)c([N+](=O)[O-])c2)c2ccccc12 2331869321 FHZPOBPAJTYKRU-UHFFFAOYSA-N 445.471 5.748 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2cccc(F)c2)c(Cl)c1 2331876657 YHOOVNKYCKMOPB-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE C=CC1(C[C@H](OCCCN)c2sc(Cl)cc2I)CCC1 2366685996 AOAIDKWYAUPXRF-LBPRGKRZSA-N 425.763 5.159 30 10 IKEE COc1ccc(C(=O)COc2ccc3c(c2)O/C(=C/c2ccc(C(C)C)cc2)C3=O)cc1 2103177 QHFORRWSJISXHY-VULFUBBASA-N 428.484 5.697 30 10 IKEE COc1cc(C=NNc2nc(-c3ccc(Br)cc3)cs2)cc(OC)c1OC 3960957 LRFGGRBSEBBYMH-UHFFFAOYSA-N 448.342 5.044 30 10 IKEE biogenic C=CCn1c(SCCCCOc2ccccc2)nc2scc(-c3ccccc3)c2c1=O 9041666 BHYPNDXXGABMOM-UHFFFAOYSA-N 448.613 6.262 30 10 IKEE Cc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2nc(SCc3ccc(Cl)cc3)nn21 9856505 SNJYYDUWHAAXGY-OAQYLSRUSA-N 436.968 5.554 30 10 IKEE CC1(C)Cc2c(sc(NC(=O)c3ccc(Cc4ccccc4)cc3)c2C#N)C(C)(C)N1 33623134 QDRNIDSPXCIUEN-UHFFFAOYSA-N 429.589 5.622 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OC(=O)c2ccc(Br)cc2)cc1 34954820 ANHZBKFOGLXPOR-XNTDXEJSSA-N 437.289 5.573 30 10 IKEE Oc1ccc(/C=N/c2ccc(Cc3ccc(/N=C/c4ccc(O)cc4O)cc3)cc2)c(O)c1 59513896 YLOFCAVWNWDYSG-LPHFKDDMSA-N 438.483 5.601 30 10 IKEE CCCCCCCOc1cccc(NCC(=O)Nc2ccc(C(=O)NCCC)cc2)c1 100090292 PJLYRXOTKKVXCP-UHFFFAOYSA-N 425.573 5.226 30 10 IKEE O=C1/C(=C/c2c[nH]c3ccccc23)S/C(=N/c2cccnc2Cl)N1c1ccccc1 101126840 QWNSCEXMBZOZKF-PDJGVXKSSA-N 430.920 6.025 30 10 IKEE CCOC(=O)c1ccc(C[C@H]2S/C(=N/c3ccccc3)N(c3ccccc3)C2=O)cc1 102958261 NCQDISQJHZPPLB-VQAHOFKPSA-N 430.529 5.242 30 10 IKEE Cc1ccc2nc(N3C(=O)C(=O)/C(=C(\O)c4ccc(F)cc4)[C@H]3c3ccccc3)sc2c1 103104074 DDQXZYQKEWLMJM-SADKCHQCSA-N 444.487 5.370 30 10 IKEE CCCCc1ccc(/N=C2\C=C(Nc3ccc(CCCC)cc3)C(=O)c3ccccc32)cc1 103640634 XFHRUCDNXCSWNQ-CCFHIKDMSA-N 436.599 7.685 30 10 IKEE C[C@@H](Nc1ccc(Br)cc1C#N)c1ccc(I)cc1 132126384 TXTXHEGOTVFTEU-SNVBAGLBSA-N 427.083 5.098 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccc(OC)cc2)cc1 169923406 PEQJYIOSMKUTJO-DEOSSOPVSA-N 443.499 5.049 30 10 IKEE COc1ccc(-c2csc(N/N=C\c3cc(Br)ccc3OC)n2)c(OC)c1 169940132 NELCLOAUSNTWIX-FBHDLOMBSA-N 448.342 5.044 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(N(C)C)cc1 169954130 DOADOCPQOFUIMK-HSZRJFAPSA-N 446.934 5.497 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(CC)cc3)[C@H]2c2ccccc2)c1 170046988 KCZDHHBUNJMTAH-RUZDIDTESA-N 441.527 5.821 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2ccccc2)cc1C 170051893 YTWFQRDMYCLFDP-QHCPKHFHSA-N 431.919 6.048 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccc(F)cc2)cc1 170061586 VQJHCHPRWSSBBO-DEOSSOPVSA-N 440.474 5.652 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(C(C)C)cc1 170067261 XNMFXBSJNKMCHE-HSZRJFAPSA-N 449.478 5.329 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1c1ccc(F)c(F)c1 170105444 PKHUJFZVMMJVCJ-GOSISDBHSA-N 445.874 5.771 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2C2CCCCC2)c1 170145425 WCGXFSJQJDVGPR-DEOSSOPVSA-N 433.548 5.693 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cccc2ccccc12 170221059 CUFHBNWWNFILKG-VWLOTQADSA-N 425.528 5.707 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccc1F 170249787 PQZSIAPQXCINGM-RUZDIDTESA-N 437.470 6.070 30 10 IKEE Cc1nc(-c2ccccc2)sc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccco1 170286449 VJASKYCTYIIGNW-HXUWFJFHSA-N 442.496 5.494 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 170362643 AFSJOPUBVJUDSK-QFIPXVFZSA-N 444.512 5.191 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Oc3ccccc3)cc2)[C@@H]1c1ccco1)c1ccco1 170400932 XKCRJDZBSHVTIN-JOCHJYFZSA-N 427.412 5.448 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2c(C)[nH]c3ccccc23)cc1 170403817 WLMJEBRYCFTDKE-QFIPXVFZSA-N 444.512 5.329 30 10 IKEE COc1ccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2cccc(OC(F)(F)F)c2)cc1 170426194 XOYRUPOUZWEASG-HXUWFJFHSA-N 449.425 5.109 30 10 IKEE O=[N+]([O-])c1ccccc1/C=C\C=Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1 252601040 DXECUDDQLCOJBO-DHJYBLJNSA-N 438.270 7.126 30 10 IKEE COc1ccc(N=C2S/C(=C\c3cc(Cl)c(O)c(OC)c3)C(=O)N2CC(C)C)cc1 252614397 JIPUVBHDVDMKSR-KXSRYFARSA-N 446.956 5.323 30 10 IKEE CCc1ccc(N=C2S/C(=C\c3cccc(OC)c3)C(=O)N2c2ccc(CC)cc2)cc1 252622932 OGDLPSCUKHXIFJ-SBEYKLCGSA-N 442.584 6.629 30 10 IKEE Cc1ccc2oc(-c3ccc(N=Cc4ccc(-c5ccc(Cl)cc5Cl)o4)cc3)nc2c1 252643466 ZUXCKQDXJCPZCG-UHFFFAOYSA-N 447.321 8.121 30 10 IKEE C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CCC2=NN=Cc1ccc([N+](=O)[O-])s1 254341029 BKFIBDWKIPCPQA-VORPYIIASA-N 441.597 5.755 30 10 IKEE COc1ccc(C=Nc2nc3c4ccccc4nc(/C=C\c4ccc(OC)cc4)n3n2)cc1 254355004 ZWHMREMTKWMYFD-UUQJSCCVSA-N 435.487 5.216 30 10 IKEE O=C(Nc1ccccc1)c1c(N=Cc2c(O)ccc3ccccc23)sc2c1CCCC2 254523245 XAQFJZCPHCWWDZ-UHFFFAOYSA-N 426.541 6.489 30 10 IKEE CCCc1nnc(SCc2ccccc2)n1/N=C\c1ccc(OC(C)C)c(OCC)c1 526799854 QLHWZCCOGHEQME-XYGWBWBKSA-N 438.597 5.591 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1c(C)[nH]c2ccccc12 526817774 BEUCMKJDQIYFES-ROTLSHHCSA-N 441.963 5.987 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1ccccc1C 526824251 RVAYHNWFQFPEEI-CFRMEGHHSA-N 433.408 6.410 30 10 IKEE CCCOc1ccc(/C=N\n2cnnc2SCc2cccc(F)c2)cc1Br 526824572 JKVCHJWPZQCZDH-KSEXSDGBSA-N 449.349 5.143 30 10 IKEE CCCCc1nnc(SCc2cccc(C(=O)OC)c2)n1/N=C\c1c[nH]c2ccccc12 526827320 VLJPNVFCRVWTAF-YSMPRRRNSA-N 447.564 5.063 30 10 IKEE N#Cc1ccc(-c2nc(Cc3nc(O)c4c(-c5ccccc5)csc4n3)no2)cc1Cl 569962608 AIGGWFDYYACDCO-UHFFFAOYSA-N 445.891 5.230 30 10 IKEE Cc1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1 586206105 HADDFJVLJALIDZ-UHFFFAOYSA-N 441.350 5.025 30 10 IKEE CCCCCCCCCCC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 693690768 CAVRCASWJWTNNV-HHHXNRCGSA-N 444.660 6.256 30 10 IKEE C=C1CCC(C[C@H](NCC)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)CC1 724611068 PPHZZZDUBLCIOF-RPLLCQBOSA-N 441.660 5.270 30 10 IKEE CCc1ccccc1NC(=S)/C(=C(/O)c1ccc(C#N)cc1)[n+]1cccc(O)c1Cl 762445861 ZWPGRWYPMBVLHU-UHFFFAOYSA-O 436.944 5.090 30 10 IKEE O=C(/C=C\c1cccc(Br)c1OC(F)F)c1ccc(C(F)(F)F)nc1O 776727890 OCDTYJPELGKGTP-XQRVVYSFSA-N 438.146 5.066 30 10 IKEE N#Cc1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl 953068465 OIBHXNNTYYJKBA-UHFFFAOYSA-N 435.930 5.969 30 10 IKEE CCCCCCCCCOc1cccnc1NC(=O)c1ccc(CS(C)(=O)=O)cc1 1858749988 GDTYJSKJOYTUSX-UHFFFAOYSA-N 432.586 5.008 30 10 IKEE Cc1csc2nc(Cl)c(/C=N/NC(=S)NC3CCCCCCCCCCC3)n12 1860497463 NTTYCJWEJGQQLL-LPYMAVHISA-N 440.082 5.829 30 10 IKEE CCCOc1ccccc1NC(=O)C(=O)/C=C/c1ccc(OCc2ccccc2)c(OC)c1 1860728258 FNESOOPWWSEOQH-FYWRMAATSA-N 445.515 5.284 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccc(OC)c1 1861347174 OYTVSYXWSFVYCR-RUZDIDTESA-N 438.612 5.293 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCSC)NC(=O)c1cc2ccccc2[nH]1 1861391776 PGFSQMIDVBQLKF-NRFANRHFSA-N 431.646 5.276 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccc(CC)cc2)cc1 1862390603 HVXUTVMXVWTWHL-VWLOTQADSA-N 449.591 5.595 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@H](C)c2ccccc2)c1 1862413693 IXSVTAAJPQTVLC-IQMFZBJNSA-N 449.453 5.313 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(C(C)(C)C)cc1 1862435476 XCRSOTMXXDMDRH-BTYIYWSLSA-N 425.956 6.014 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(OCC)cc1 1862435642 AYDVQPUHEDOMLW-JOCHJYFZSA-N 441.955 5.897 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)cc1 1862455897 FNOXIQLQMYVZPU-YFYZNPQRSA-N 443.465 5.569 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(Cl)cc1 1862458677 SSEPBAMJMYMQNY-LJQANCHMSA-N 437.845 5.526 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1c(Cl)cccc1Cl 1862482763 SXLSWWHNBOTFCC-HXUWFJFHSA-N 448.346 5.307 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2cccc(O)c2)c1 1862489993 LNWLKWYMSYZRFH-XMMPIXPASA-N 431.532 5.478 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1F 1862505054 JFJOWWWNHUFRSK-HSZRJFAPSA-N 435.539 5.953 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2ccc3c(c2)CCCN3C)cc1 1862539006 SVEIOVVBWDQAQU-OSPHWJPCSA-N 432.564 5.008 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2CC)cc1OC 1862541884 VMCHVVYXLPUXIS-HSZRJFAPSA-N 437.536 5.035 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCC(C)C)cc1 1862547889 FMWUZGZHSUVIHO-XMMPIXPASA-N 433.548 5.198 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cccc(Cl)c1)c1ccc2c(c1)CCCC2 1862548319 PCKOJNRSPBDTRQ-QHCPKHFHSA-N 435.951 5.740 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@H]1c1cccc(Cl)c1)c1cccc(O)c1 1862591527 ILFHEKKLMKQEOV-QFIPXVFZSA-N 437.923 5.514 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862595762 PQJHBJZPEPLUTL-VWLOTQADSA-N 445.559 5.984 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(F)cc2)cc1 1862615311 JJJGZCFCTYXXCJ-HSZRJFAPSA-N 435.539 6.034 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccccc1C(=O)O 1862616854 TXBCSSFTBHCVJO-VFNWGFHPSA-N 435.520 5.059 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1ccc(F)cc1 1862638585 FMGZZOSBSFFMFS-OAQYLSRUSA-N 429.463 5.132 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cc(Cl)cc(Cl)c1 1862658592 SFQWDZVCRTUEBT-NRFANRHFSA-N 438.310 5.911 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(Cl)c2)cc1 1862675627 POSZTHGBRANUCN-QHCPKHFHSA-N 449.909 5.609 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccc(Cl)c2)c1 1862701213 YKVGNXFFOQOEKF-HXUWFJFHSA-N 439.920 5.189 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862705770 GRCUHICPESREBB-BLVKFPJESA-N 434.319 5.379 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1ccccc1Cl)c1ccc(-c2ccccc2)cc1 1862725554 LQDACSZTMCJLPN-HSZRJFAPSA-N 429.903 5.748 30 10 IKEE N#Cc1ccccc1N1C(=O)C(Nc2cccc3ccccc23)=C(c2ccc(Cl)cc2)C1=O 1862804734 JTTFZFYYWDNHDR-UHFFFAOYSA-N 449.897 5.761 30 10 IKEE Cc1ccccc1NC1=C(c2ccc(Cl)c(Cl)c2)C(=O)N(c2ccccc2C#N)C1=O 1862914673 VEVYXPDABHFFSA-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE N#Cc1cccc(N2C(=O)C(Nc3ccc4ccccc4c3)=C(c3ccccc3F)C2=O)c1 1862927411 QZTPOFYZHALVEN-UHFFFAOYSA-N 433.442 5.247 30 10 IKEE N#Cc1ccccc1NC1=C(c2ccccc2Cl)C(=O)N(c2cccc3ccccc23)C1=O 1863072240 DIQUISUAADINKZ-UHFFFAOYSA-N 449.897 5.761 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(Cl)ccc2C)=C(c2ccccc2F)C1=O 1863291017 DIXJKAUVTNSOGA-UHFFFAOYSA-N 442.962 6.340 30 10 IKEE CCCCCCCCCCNC(=O)c1cc(=O)c2cc(OCCCCCC)ccc2[nH]1 1866526039 JCJBFHWSMHRJNI-UHFFFAOYSA-N 428.617 6.358 30 10 IKEE CC1(C)CN(c2cc(Nc3ccccc3C#N)nc(-c3ccc(F)cc3)n2)c2ccccc21 1868463382 TTWKSSKFFKSNIR-UHFFFAOYSA-N 435.506 6.327 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(C)cc2)cn1CCc1ccccc1 1870766261 IPRGJBXYYKPJTH-UHFFFAOYSA-N 428.576 5.152 30 10 IKEE C=CCOc1cn(CCCOC(C)C)c(CNc2ccc(Oc3ccccc3)cc2)cc1=O 1870811218 OPJUQIITICWXCN-UHFFFAOYSA-N 448.563 5.633 30 10 IKEE C=CCOc1cn(Cc2ccco2)c(CNc2ccc(Oc3ccccc3)cc2)cc1=O 1870812100 OPRRNRSQIFVUAN-UHFFFAOYSA-N 428.488 5.459 30 10 IKEE CCCCCCCOc1cn(C[C@@H]2CCCO2)c(CNc2ccc(OC)cc2C)cc1=O 1870833246 FFRKQWFGPKTMDN-QHCPKHFHSA-N 442.600 5.306 30 10 IKEE CCCCCCCOc1cn(Cc2ccco2)c(CNc2cccc([N+](=O)[O-])c2)cc1=O 1870836682 QBPNHUMTDLBNOM-UHFFFAOYSA-N 439.512 5.359 30 10 IKEE C=CCn1cc(OCc2ccc(CC)cc2)c(=O)cc1CNc1ccc(OCCCC)cc1 1870889937 HYAGLWIWUBEVFW-UHFFFAOYSA-N 446.591 5.967 30 10 IKEE CCCCCCCCCCn1cc(OC)c(=O)cc1CNc1cccc(NC(C)=O)c1 1870997834 CNAYFCZVKAEEKZ-UHFFFAOYSA-N 427.589 5.568 30 10 IKEE COc1ccc(Oc2ccc(-c3nc(C)c(C(=O)Nc4ccc(C#N)cc4)s3)cc2)cc1 1871275278 VMOVCMHOHMMGPV-UHFFFAOYSA-N 441.512 6.043 30 10 IKEE CCOCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(Cl)cc1Cl)C3=O 1871350339 AVINTBIBOBRFRN-JMIUGGIZSA-N 434.319 5.188 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(Cl)cc1Cl)O3)CN(CCC(C)C)CO2 1871353167 MFVRKWBCMPYEGY-UKWGHVSLSA-N 432.347 6.116 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2F)C3=O)c1 1871388554 CFNRRDNOANKFEA-HAHDFKILSA-N 430.431 5.534 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OCCCCOc4ccc(C)cc4)c3C)C2=O)c1 1871406239 YHOBBDOWTKVTAV-ITYLOYPMSA-N 444.527 6.166 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4cccc(C)c4C)cc(C)c3C2=O)c1 1871414386 UJWSCRHHUXFOJU-PUDRWSQFSA-N 441.527 5.942 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccc(C)c(Cl)c3)ccc2C1=O 1871456598 NBCVMMHCGUQNSO-KSEXSDGBSA-N 449.890 5.291 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(C)c(Cl)c1)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1871790681 ZWIOJHJVBSJLEV-QFIPXVFZSA-N 449.016 5.105 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1cc(C)ccc1C 1872083640 KXSRWRNBICNQJZ-HSZRJFAPSA-N 442.625 5.240 30 10 IKEE C=CCN([C@@H](C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)[C@H](C)CC)S(=O)(=O)C1CC1 1872339505 RRWAFZRGKROXIT-WZONZLPQSA-N 434.646 5.267 30 10 IKEE C=CCN([C@@H](C(=O)Nc1cccc(Cl)c1C)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872436134 BHSODCJUKFFOAU-VGOFRKELSA-N 449.016 5.187 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(Cl)c(C)c3)n2)cc1 1872765717 VNQAGXHFGKMIIT-FQEVSTJZSA-N 438.980 6.370 30 10 IKEE CC(C)(C)c1ccc(-c2csc([C@H](C#N)C(=O)c3cc4ccccc4oc3=O)n2)cc1 1872773694 VEUORJOOLSBBIB-LJQANCHMSA-N 428.513 5.704 30 10 IKEE C=CCOc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2ccc(C(C)(C)C)cc2)cs1 1872773755 XNJGISREGLZHOI-FQEVSTJZSA-N 446.572 5.928 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@@H](C#N)C(=O)c3ccccc3Br)n2)c1C 1872778593 OVKWJZAKZIPEOD-KRWDZBQOSA-N 439.378 6.296 30 10 IKEE CC(=O)Nc1ccc(CC(=O)[C@H](C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1 1872778823 VMPRPMGQVQUKEF-NRFANRHFSA-N 431.561 5.421 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@H](C#N)C(=O)c3ccccc3Cl)n2)c1 1872781890 ZTROHSAJRNQDHQ-QGZVFWFLSA-N 426.925 5.751 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1C 1872783062 QRLQXPCHRYPTET-BVYCBKJFSA-N 443.572 5.213 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)NCCCCCCCCCC)n2CC 1873571017 TZIAZZQTGHRZSY-UHFFFAOYSA-N 425.621 5.500 30 10 IKEE CCCCCCCCNC(=O)[C@H](C)Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 1873891427 BPWTUSFSKUXAGT-INIZCTEOSA-N 433.976 5.569 30 10 IKEE CCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1/N=C/c1sccc1C 1874196450 KRBRXZBFLUQAFF-YDZHTSKRSA-N 444.626 5.527 30 10 IKEE CCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccc(CC)cc1 1874215568 AUSNCHWERGBGFX-LFVJCYFKSA-N 428.989 5.500 30 10 IKEE CCCSc1nnc(Cc2ccc(OCC)cc2)n1/N=C/c1cn(C)c2ccccc12 1874304214 NDBGIGXEXJICMT-PCLIKHOPSA-N 433.581 5.144 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2)n1/N=C/c1cccc2ccccc12 1874315610 AWTUCRDPFZJQBC-OVVQPSECSA-N 442.588 5.993 30 10 IKEE CCOc1ccc(/C=N/n2c(CCc3ccc(C)c(C)c3)nnc2SC)cc1OCC 1874328956 OTXWCDMPNAOYCN-PCLIKHOPSA-N 438.597 5.082 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccc(C)c(C)c3)n2/N=C/c2ccccc2)c1 1874331082 UGLWJNMVGFEVJE-MTDXEUNCSA-N 440.616 6.163 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(Cl)cc3)n2/N=C/c2ccncc2)c1 1874336261 IFFRQFFAXFRKJY-CVKSISIWSA-N 433.968 5.400 30 10 IKEE COc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2/N=C/c2ccc[nH]2)cc1 1874351232 AMNRSYYQBPYTMB-AFUMVMLFSA-N 437.956 5.034 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2cccc(O)c2)cc1 1874389938 LZTDMOLZUGLYMY-NLRVBDNBSA-N 428.561 5.100 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2)n1/N=C/c1cccc(Cl)c1 1874395733 UHZAWOAQZJTSTE-PMFZIYJTSA-N 432.980 6.258 30 10 IKEE CCc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccc(C)cc2)cc1 1874396956 UOAXVSMDGJEHER-TURZUDJPSA-N 440.616 6.109 30 10 IKEE Fc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2cccc(F)c2)cc1 1874402286 QVXOMQGVASDQLZ-JVWAILMASA-N 434.515 5.516 30 10 IKEE Oc1cccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2cccc(Cl)c2)c1 1874419384 KULVKIBJFJZKHR-MFKUBSTISA-N 434.952 5.402 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2cccc(F)c2)nnc1[C@H]1CCCO1 1874447789 MIKLKDVTULSULB-JAMLUQCHSA-N 440.544 5.232 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2sccc2C)o1 1874455066 ZCYQURYKWDCSRI-WSDLNYQXSA-N 444.582 5.250 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCc3ccccc3C)nnc2-c2ccco2)cc1 1874464415 INYGFHMJRXADTD-YZSQISJMSA-N 445.592 5.867 30 10 IKEE Fc1cccc(CSc2nnc(-c3ccco3)n2/N=C/c2ccc(Cl)cc2Cl)c1 1874466289 WNUWFFMEUFDQBW-BHGWPJFGSA-N 447.322 6.159 30 10 IKEE Cc1ccsc1/C=N/n1c(SCC(=O)Nc2c(C)cccc2C)nnc1C1CCC1 1874492813 GLDPAEHXVPXMIR-FSJBWODESA-N 439.610 5.145 30 10 IKEE COc1cc(/C=N/n2c(SCCc3ccccc3)nnc2C2CC2)ccc1OC(C)C 1874521096 ASMAQIJJEFEAMM-PCLIKHOPSA-N 436.581 5.168 30 10 IKEE Cc1ccc(CSc2nnc(C)n2/N=C/c2cccc(OCc3ccccc3)c2)cc1 1874529465 KRXKEFRNDAIJRR-WGOQTCKBSA-N 428.561 5.648 30 10 IKEE CCCNC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccc2c(c1)CCCC2 1874571980 QFAKCFVFOBQSGB-CCEZHUSRSA-N 427.544 5.520 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccccc2Cl)c1OCC(=O)Nc1ccc(C)cc1 1874575041 RVIDHXLBPCMMAK-NTCAYCPXSA-N 435.907 5.571 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)N[C@@H](C)c2ccccc2)cc1Cl 1874590288 CJHIBLTVXKGCSD-SZEUEKNRSA-N 449.934 5.501 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OCc3c(Cl)cccc3Cl)c2)c1 1874596998 OQZWOUGDHWWDND-PKNBQFBNSA-N 443.326 6.486 30 10 IKEE CCCOc1c(OCC)cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-] 1874601582 RUECDPFWSDEJFN-XNTDXEJSSA-N 431.488 6.345 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Cl)c1OCc1cc(C)ccc1C 1874612436 VAEFTVIUWHWSOI-MDZDMXLPSA-N 441.354 7.094 30 10 IKEE C=C(C)COc1c(Br)cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OCC 1874619951 BDEDHISTWAURKU-RMKNXTFCSA-N 433.317 6.146 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)c(C)c1 1874634270 TYAMEFSKAZBMLR-SDNWHVSQSA-N 427.544 6.142 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1OC(=O)c1ccncc1 1874693012 IZBOANICFVWONC-NTUHNPAUSA-N 435.479 5.873 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccccc3[N+](=O)[O-])c2)cc1 1874694067 JUGWAJJOEFDRCU-GXDHUFHOSA-N 445.471 5.210 30 10 IKEE CCOc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(CC)cc3)c2)cc1 1874694386 AFYCSSIHGAOEFV-LICLKQGHSA-N 430.500 5.528 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(F)c(F)c2F)c1)c1ccc([N+](=O)[O-])cc1 1874697870 DVZIABVMJKZMGY-NYYWCZLTSA-N 427.334 5.127 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(Cl)cc3)c2)c1 1874700815 OGSKMBAAHPULEY-XNTDXEJSSA-N 434.919 6.309 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1OCC 1875098031 PBCITMYWKGUYAC-JLHYYAGUSA-N 426.940 6.219 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc(Cl)c1OC(=O)C1CCC1 1875108342 KWGLUOHFABAAMS-CSKARUKUSA-N 428.912 5.657 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)c(F)c3)c(Cl)c2)cc1 1875114617 YEMLSIWZOYFSJR-WTDSWWLTSA-N 428.818 5.742 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC(=O)Cc1ccccc1Cl 1875125382 GLAFTLFPSDYMPM-WUXMJOGZSA-N 441.310 6.046 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc([N+](=O)[O-])c1OC(=O)C(C)(C)C 1875126786 XBWYCGCUAMIUEE-IZZDOVSWSA-N 431.872 5.495 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)c1ccccc1F 1875135964 QDZSKTSKDITSJZ-JLHYYAGUSA-N 438.882 6.302 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(N(C)C)cc3)c([N+](=O)[O-])c2)c1 1875139761 YVSRSOYSLNEKRB-NTUHNPAUSA-N 444.487 5.393 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1ccc(CC)cc1 1875156737 FDCRBVRWHVWGPN-RQZCQDPDSA-N 442.555 6.886 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)c1cccs1 1875162275 FVEPUBXRKGMHJM-VMPITWQZSA-N 448.874 6.194 30 10 IKEE COc1cc(C(=O)/C=C/c2ccc(OC(=O)CC3CCCCC3)cc2)c(OC)cc1Cl 1875172730 JATXNANUMRQHBL-JLHYYAGUSA-N 442.939 6.129 30 10 IKEE COc1cc(C(=O)/C=C/c2ccc(OC(=O)C(C)(C)C)c([N+](=O)[O-])c2)c(OC)cc1Cl 1875173522 IGJNTPYKKHDLJG-SOFGYWHQSA-N 447.871 5.113 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1[N+](=O)[O-] 1875174649 BQKIRFWELYCKLU-FMIVXFBMSA-N 445.471 5.264 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2cc(C)cc(C)c2)cc1 1875182169 PSEZURNERRSOCM-JXMROGBWSA-N 434.919 6.389 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)c(F)c3F)cc2)cc1C 1875187275 WHUCTBKOOPOIAP-IZZDOVSWSA-N 440.417 5.845 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](Cc2cc(Cl)cc(Br)c2)NCC)C1 1892684327 LEVVYKNNNPVYSO-KRWDZBQOSA-N 443.813 5.237 30 10 IKEE C=C(COCc1ccccc1)C(=O)[C@H](O)c1ccc(-c2ccccc2Br)s1 1922100439 UBSVYORKYFJGSY-JOCHJYFZSA-N 443.362 5.553 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]12CCC[C@@H](CC1)N2C(=O)OC(C)(C)C 1951096276 GLZKWXSUMLIJMQ-JCYRPKCISA-N 428.617 5.450 30 10 IKEE N#Cc1ccc([C@H](CCC(=O)O)CNC(=O)OCC2c3ccccc3-c3ccccc32)s1 1951554581 CSGUQRBLDCOWRF-MRXNPFEDSA-N 446.528 5.107 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@H]1C[C@H]2CC[C@H]1CN(C(=O)OC(C)(C)C)C2 2005309142 DLLXNLKHUQZJGN-SBFWRKJZSA-N 428.617 5.021 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C12CC2 2016350116 DLJKDQBLPVFAFK-QHCPKHFHSA-N 447.601 5.311 30 10 IKEE Cc1c(Cl)cc(CC2(C=O)CCN(C(=O)OC(C)(C)C)CC2)cc1Br 2048495652 CYBZMUFQPUKEPW-UHFFFAOYSA-N 430.770 5.170 30 10 IKEE Cc1cc(C)c([C@H](C)n2nc(C(C)(C)C)c(C=NO)c2I)c(C)c1 2079849539 YXLGQNOYWRSJNT-AWEZNQCLSA-N 439.341 5.128 30 10 IKEE CC(C)(C)c1nn([C@@H](c2ccc(C(F)(F)F)cc2F)C2CCC2)c(Cl)c1C=NO 2079951472 SWVFVWBQQZVHBT-MRXNPFEDSA-N 431.861 6.190 30 10 IKEE CC(C)(C)[C@@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)(F)F)c(C(=O)O)c1Cl 2079972113 QFRSUTPMFWAPCB-GFCCVEGCSA-N 446.750 6.047 30 10 IKEE Cc1cc(C)c([C@@H](n2nc(C3CCC3)c(C=NO)c2Br)C2(C)CC2)c(C)c1 2080030214 JYKACTZMRSNKML-HXUWFJFHSA-N 430.390 6.036 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(Cc3ccccc3)CC23CCC3)cc1 2098711327 GSGQCNOEOXNQQZ-NDEPHWFRSA-N 445.607 6.075 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](Nc2cc(Br)cc(F)c2C#N)CC1 2133508336 JXBSXZZNMAOUEX-ZIAGYGMSSA-N 426.330 5.098 30 10 IKEE CO[C@@H]1CC(C)(C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2162039121 ONDYWTSZICUFEQ-UTKZUKDTSA-N 437.378 5.678 30 10 IKEE CC(C)(C)OC(=O)NC(C)(C)c1ccc(Nc2cc(Br)ccc2C#N)cc1 2162295880 IQXMHCPDNHZIHN-UHFFFAOYSA-N 430.346 5.824 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CC12CCC(Nc1ccc(C#N)c(Br)c1F)CC2 2162321273 TXWUYCDZKHDVOC-LXDLAPCHSA-N 438.341 5.098 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](CNc2cc(Br)cc(F)c2C#N)CC12CC2 2172004221 ITVUUCCXMJCVRX-CYBMUJFWSA-N 438.341 5.051 30 10 IKEE C[C@H](Nc1cc(Br)cc(F)c1C#N)[C@@H](NC(=O)OC(C)(C)C)c1ccco1 2172874475 PFLGZMLPJSIMJF-APPDUMDISA-N 438.297 5.119 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1CN(c1cc(Br)cc(C#N)c1)C1CC1 2174810288 KTIHULLIVCWCER-GOSISDBHSA-N 434.378 5.079 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CC[C@]2(CCCOC2)C1 2185136374 XSAIFOFYYFQQIB-NHCUHLMSSA-N 435.362 5.434 30 10 IKEE N[C@@H](C#Cc1ccccc1Br)c1cc(Br)ccc1Br 2227474183 PRRNKMBAEBSDLB-HNNXBMFYSA-N 443.964 5.026 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H](CCC)CNC(=O)OC(C)(C)C 2235734823 XFZLQFSSILLZTB-AZUAARDMSA-N 437.422 5.110 30 10 IKEE CN[C@@H](C#Cc1ccccc1Br)c1cc(F)ccc1NC(=O)OC(C)(C)C 2235736626 ZMXLOXVKQNVATR-SFHVURJKSA-N 433.321 5.247 30 10 IKEE CCCCCC#CCC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237414875 IHDNJHJRDOYQHR-IBGZPJMESA-N 436.390 5.428 30 10 IKEE C=CCCCCC[C@H](NC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237425953 ZLKUUOSWIWVNKZ-PMACEKPBSA-N 439.438 5.609 30 10 IKEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)CC1CCCC1 2255826600 BXOFQVGXORVCCK-UHFFFAOYSA-N 439.430 5.188 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCC(=O)O)c1cc(Cl)ccc1Br 2262208311 QPZQWUMRONADTH-IBGZPJMESA-N 425.706 5.018 30 10 IKEE CC(C)(C)OC(=O)NCc1ccc(Nc2ncc(Br)cc2C#N)cc1Cl 2266933097 WLRCHIJGPYEDAK-UHFFFAOYSA-N 437.725 5.137 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3cc(OC(=O)c4ccc(F)cc4)ccc3C1=O)cn2C 2296604173 CDPUQQUCSWXIIK-UHFFFAOYSA-N 443.430 5.161 30 10 IKEE O=C1C(=Cc2ccccc2Br)Oc2cc(OC(=O)C3CCCCC3)ccc21 2296871076 JQRVOCZURAIOEB-UHFFFAOYSA-N 427.294 5.551 30 10 IKEE CCCCCCCCCCCCCC=C[C@@H](O)[C@H](CO)NC(=O)NCCCCCC 2297748741 MIADELGCYXNHNP-BJKOFHAPSA-N 426.686 5.845 30 10 IKEE C=CCC(CC=C)OC(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2313536671 OXEWHPAPACMAKA-UHFFFAOYSA-N 442.600 5.000 30 10 IKEE C[C@H]1CC(C#N)(N(C(=O)OC(C)(C)C)c2cccc(Br)c2)C[C@H](C)S1 2317628419 AKLVTFMWFCHQSB-KBPBESRZSA-N 425.392 5.757 30 10 IKEE CCCCOc1ccc(C=Nn2cnnc2SCc2ccc(Br)cc2)cc1 2318571435 KNCFRSZDNMXTGT-UHFFFAOYSA-N 445.386 5.394 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(C(F)(F)F)cc1 2318574588 OAHMYMADQPKSQV-UHFFFAOYSA-N 438.906 6.077 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OCc4ccc(Br)cc4)c3C)C2=O)cc1 2321844668 UNUWRZRARHNVRS-UHFFFAOYSA-N 449.344 6.515 30 10 IKEE Sc1nnc(Cc2ccccc2)n1N=Cc1ccccc1OCc1ccccc1Cl 2321955300 GJXXIJFXCYPQSD-UHFFFAOYSA-N 434.952 5.272 30 10 IKEE COc1ccc(C=C2Oc3c(ccc4c3CN([C@H](C)c3ccccc3)CO4)C2=O)cc1OC 2322092440 HSARMVRBLNOIRB-QGZVFWFLSA-N 443.499 5.233 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2c(OCCc3ccccc3)ccc3ccccc23)cc1 2322391529 CKGSODFHLHVFKA-UHFFFAOYSA-N 434.579 7.700 30 10 IKEE Cc1c(OC(=O)c2ccccc2Cl)ccc2c1OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2322724975 HNVVPZHHETWSKV-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccccc2OCc2cc(C)ccc2C)cc1C(C)C 2322788510 KHRJJBVZTAHWPV-UHFFFAOYSA-N 428.572 7.219 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(OC(=O)C4CCC4)c3C)C2=O)c2cc(OC)ccc21 2322818759 XKQHKIXTJXDLHA-UHFFFAOYSA-N 431.488 5.300 30 10 IKEE CCCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2)C3=O)c1 2323919542 AHPRRTXBZVHMAL-UHFFFAOYSA-N 428.440 5.228 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCc3cc(C)ccc3C)c(Cl)c2)cc1 2323921741 UKZKVXWTEYGWRI-UHFFFAOYSA-N 434.963 7.221 30 10 IKEE C[C@H]1C[C@H](C)CN(Cc2c(O)ccc3c2OC(=Cc2cccc(Br)c2)C3=O)C1 2324054964 UTYMRLOQCFREDN-GJZGRUSLSA-N 442.353 5.249 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OCc3cccc(C)c3)c(OC)c2)cc1F 2324108269 YSTMXLGCQGBMLY-UHFFFAOYSA-N 436.479 5.635 30 10 IKEE C[C@H](NC(=O)COc1ccc(C=CC(=O)c2cccc3ccccc23)cc1)c1ccccc1 2324128309 GFZUNBVGXKVVDW-NRFANRHFSA-N 435.523 5.992 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OCc1ccccc1 2324272437 ONYVVSCOHVJPLJ-UHFFFAOYSA-N 430.544 6.611 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O 2324335669 ZZHYQXZVBBLMFE-QGZVFWFLSA-N 445.490 5.719 30 10 IKEE CCc1ccc(OCCCOc2cc(C)c3c(c2)OC(=Cc2cccc(C)c2)C3=O)cc1 2324662194 YRNNHSJWMUMEGF-UHFFFAOYSA-N 428.528 6.330 30 10 IKEE Cc1cc(OCc2cccc3ccccc23)cc2c1C(=O)C(=Cc1c(F)cccc1Cl)O2 2325279461 ZVDXWOBPWYPCJT-UHFFFAOYSA-N 444.889 7.136 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(Cl)cc4F)ccc3C2=O)cc1 2325490202 NWJKSHXHWKLVRE-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1OC(=O)c1cc(C)cc(C)c1 2325699072 NGWLLWYZVTVJTO-UHFFFAOYSA-N 436.507 6.581 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC)c(OC(=O)CCCOc3ccccc3)c2)c1 2325706501 DMFKLAMEGHSPCT-UHFFFAOYSA-N 446.499 5.365 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(F)cc3)c2)cc1 2325710114 SDRXFHRRTICBCM-UHFFFAOYSA-N 432.491 6.292 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(OC)cc3)c2)cc1 2325733565 MHJKIPVXZXSXAD-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)cc1C 2325738778 YYJVWTZJFLAQJI-UHFFFAOYSA-N 431.463 5.385 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1OC(=O)c1ccco1 2325754306 DSBUYDDYWIPDIP-UHFFFAOYSA-N 440.451 6.196 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2326444477 SGKKTZDCVZTVRB-UHFFFAOYSA-N 443.960 5.584 30 10 IKEE CCCOc1ccc(C=Nn2c(C)nnc2SCc2cc(C)ccc2C)cc1Cl 2326589534 IBZFKBXXAWSSJY-UHFFFAOYSA-N 428.989 5.820 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1cccc(Cl)c1Cl 2326683416 PQXCAXWRECXZMC-UHFFFAOYSA-N 444.391 5.974 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccc(F)cc3)n2N=Cc2ccc[nH]2)CC1 2328120604 JVOAIVHMZVTFAT-UHFFFAOYSA-N 439.604 6.384 30 10 IKEE Cc1ccccc1N=CC1=C2NC3=C(C=Nc4ccccc4C)CCC[C@]3(C#N)C=C2CCC1 2328662915 KEEKIIKFXXIHAJ-SSEXGKCCSA-N 446.598 7.324 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)C=Cc3ccc(C)cc3)C2)c1 2329101159 XMPNHZNGDRRRFJ-VWLOTQADSA-N 445.607 5.267 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(F)cc1 2329538946 COGDMTONIDANEG-UHFFFAOYSA-N 436.943 6.221 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2-c2cccs2)c1 2330600039 UQRKLJCJCNRCRQ-UHFFFAOYSA-N 440.981 5.843 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2330795001 MELGSDZZBKXXBV-UHFFFAOYSA-N 447.443 5.117 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3)c([N+](=O)[O-])c2)cc1 2330833667 GKSQBZKNTFFFGU-UHFFFAOYSA-N 429.472 6.053 30 10 IKEE CC(C)(C)Cc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(O)cc1 2330881505 JQCZJFBJBIPBOF-UHFFFAOYSA-N 432.952 5.539 30 10 IKEE CC(C)CC(=O)Oc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 2330889269 LEOLLVISFXLJRG-UHFFFAOYSA-N 432.270 5.205 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1)c1ccc(-n2cccc2)cc1 2330910705 NORGSLOWUGESQZ-UHFFFAOYSA-N 427.887 6.246 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccccc3Cl)cc2Cl)cc1 2330913333 PMZKEAHVLVYXTE-UHFFFAOYSA-N 425.311 6.346 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2[N+](=O)[O-])cc1 2331170452 UJBLXUFZAXLGNM-UHFFFAOYSA-N 429.472 6.008 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)Cc1ccccc1 2331232092 RSTFMPDKYXIANQ-UHFFFAOYSA-N 440.539 6.085 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)[C@@H](C)c1ccccc1 2331292985 FNLFPBBLEGEECY-NRFANRHFSA-N 440.539 6.337 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3)c(OC)c2)cc1 2331312049 ZAGIUEGMTLYLAX-UHFFFAOYSA-N 444.527 5.918 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCO4)cc2)cc1 2331432769 WOAIBYNFDBMDEW-UHFFFAOYSA-N 444.483 5.248 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)c1ccc(Cl)cc1 2331510549 VGVGXSPEKNUQPG-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2cccc(Cl)c2)nnc1C1CCC1 2331541713 GANFMVJXRSORFO-UHFFFAOYSA-N 438.984 5.938 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)CC(C)C)c(Cl)c1 2331636459 AQOLNLSVYXUMCA-UHFFFAOYSA-N 441.738 6.503 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OC(=O)C(C)C)c(Br)c2)c1C 2331646908 DFIDIELXLGOCTK-UHFFFAOYSA-N 429.354 6.140 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc(OC)c1OC(=O)C(C)(C)C 2331754562 BISREWAEGDZBPE-UHFFFAOYSA-N 446.927 5.522 30 10 IKEE CC1(C)OB(/C=C/c2ccc(Oc3ccc(OCc4ccccc4)cc3)nc2)OC1(C)C 2339592752 VNCGDSVMUBDRTE-WUKNDPDISA-N 429.325 6.098 30 10 IKEE C=CC[C@@](C)(CC)[C@@H](Cc1ccc(I)c(Br)c1)NC 2349778251 JPKULEXPWWGJOG-HZPDHXFCSA-N 436.175 5.177 30 10 IKEE C=CCC(CC=C)[C@H](NCCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2364012511 NXRIDMFEGLKTJE-FQEVSTJZSA-N 437.422 6.605 30 10 IKEE Cc1cc(Br)ccc1Sc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N 2364923772 SCRDSHWGQQAKQE-UHFFFAOYSA-N 430.176 5.080 30 10 IKEE CN(C[C@H]1CCCN(Cc2ccccc2)C1)c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2365108501 YNSYIUKVKOMRKI-RFAWQRTRSA-N 447.432 5.075 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)cc1 2448600 RPULINIQRAKVEA-IWIPYMOSSA-N 428.484 5.828 30 10 IKEE O=C1C(c2ccccc2)=C(c2ccccc2)[C@]2(c3ccccc3)CN=N[C@@]12c1ccccc1 5051997 VOLBMCYGGKVCFS-IHLOFXLRSA-N 426.519 6.479 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)C23CC4CC(CC(C4)C2)C3)nc2c(C)cccc12 12240651 UYNADQKXZSMHGB-UHFFFAOYSA-N 425.536 5.064 30 10 IKEE Cc1ccc(CSc2nc3c(c(=O)[nH]2)[C@H](C(C)C)C2=C(CC(C)(C)CC2=O)N3)c(C)c1 20134466 YJBDEUABQBLSAD-LJQANCHMSA-N 437.609 5.487 30 10 IKEE O=C1C(=C/c2ccc(Cl)cc2)/C(=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21 20530770 FOXZQROSFZSNNW-GXBBLNCVSA-N 448.822 5.253 30 10 IKEE CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)cc1 21252477 HSWJGNBPKXSFBN-WINIVTDRSA-N 428.507 6.204 30 10 IKEE CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2cccc(Cl)c2Cl)C2=C(CCCC2=O)N1 27532782 PXSINBYKIFFTSF-HXUWFJFHSA-N 442.346 5.303 30 10 IKEE CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccc(C)cc2)C2=C(CCCC2=O)N1 27547232 AYQVTXATXUWCMP-JOCHJYFZSA-N 440.465 5.620 30 10 IKEE CCOc1ccc(C(=O)/C(=C\c2ccc(C(C)C)cc2)c2nc3ccccc3s2)cc1 33775364 MYKLJRRQRBXPSB-HAVVHWLPSA-N 427.569 7.242 30 10 IKEE O=C1/C(=C\c2ccc(Cl)cc2)S/C(=N\c2ccccc2)N1[C@H]1CCCc2ccccc21 35377147 TWKSTXVZGLYRBY-QRRLKWKSSA-N 444.987 7.022 30 10 IKEE COc1ccccc1CO/N=C(/C)c1cc(-c2ccc(F)cc2)n(-c2ccc(C)cc2)c1C 35843446 WVUADNQOHKRPOS-COEJQBHMSA-N 442.534 6.850 30 10 IKEE COc1ccc(/C=C2\S/C(=N/c3nc(C)cs3)N(c3ccccc3)C2=O)cc1OC 39865472 IQDDYYWZCBTPBK-QLIPUSLZSA-N 437.546 5.277 30 10 IKEE C=CCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@@H]1c1ccc(Br)cc1 39913383 LDMLWSGYMOHCFR-SFHVURJKSA-N 444.712 5.249 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2)[C@H]1c1ccc(OCCC)cc1 40077778 GCPYJPIRURNXDL-HSZRJFAPSA-N 437.536 5.253 30 10 IKEE Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/Nc2cccc(C(F)(F)F)c2)CCC3)n1 40824093 IFIGJVJMMVMICS-OCSSWDANSA-N 442.441 5.715 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCc4ccccc4)cc(C)c3C2=O)c(OC)c1OC 41432886 KEZRWGNACUKJFF-XKZIYDEJSA-N 432.472 5.216 30 10 IKEE C=CCNC(=O)c1cc(-c2csc(COc3ccc(OC)cc3)n2)n(CCCC)c1C 43251532 LGIBMZHZORQHSL-UHFFFAOYSA-N 439.581 5.224 30 10 IKEE CCOc1ccccc1C(=O)Nc1cc(Cl)c([C@@H](C#N)c2ccc(Cl)cc2)cc1C 59240236 PKZREHGRPIKUBG-FQEVSTJZSA-N 439.342 6.608 30 10 IKEE COc1cccc(/C(CSc2nc3ccccc3o2)=N\Nc2cccc([N+](=O)[O-])c2)c1 59460563 PQJNISQDIYBBEV-QQTULTPQSA-N 434.477 5.353 30 10 IKEE CCCC/C(C)=N/Nc1nc(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n[nH]1 59890761 ALAZEZSBTQVPKU-YSURURNPSA-N 448.902 5.186 30 10 IKEE C=CCn1c(SCc2cccc(C#N)c2)nc2scc(-c3ccc(C)cc3)c2c1=O 96535305 IVHJWSVYLLWEHW-UHFFFAOYSA-N 429.570 5.783 30 10 IKEE COc1ccc(-c2cc(/C(C)=N/OCc3ccccc3F)c(C)n2-c2ccccc2F)cc1 97632738 ZPAJBZQUOGJSOE-UXHLAJHPSA-N 446.497 6.680 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 100061181 HNUMWONNNRFVIG-UHFFFAOYSA-N 435.565 6.714 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)COc1cc(C)c(Cl)c(C)c1 100092452 ONKRBXMHSUTKQZ-UHFFFAOYSA-N 438.096 7.933 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2ccc(C(=O)N(CCC)CCC)cc2)cc1 100291328 LFLOZDXJXDBLFZ-UHFFFAOYSA-N 438.612 6.550 30 10 IKEE CCCCCCCCCCCCn1c(CNC(=O)/C=C\c2ccccc2)nc2ccccc21 102125910 KFHUNNPQXRBKQO-DQRAZIAOSA-N 445.651 7.287 30 10 IKEE CC(C)Oc1ccccc1/C=C1/CN(C(C)C)C/C(=C\c2ccccc2OC(C)C)C1=O 104374779 WTVQJPKMQSAAIS-QTCLYGBFSA-N 433.592 6.021 30 10 IKEE C=CCn1c(COc2ccccc2)nnc1SCCC(=O)Nc1cccc(NC(=C)C)c1 105158905 CZCBUTWXLNSCCY-UHFFFAOYSA-N 449.580 5.110 30 10 IKEE COc1cccc(/C=N\n2c(Cc3ccccc3)nnc2SC)c1OCc1ccccc1 169916040 XDUCLAHMBNUVAK-ONUIUJJFSA-N 444.560 5.061 30 10 IKEE CCOc1cc([C@@H]2NC(=S)N(CC)C(C)=C2C(C)=O)ccc1OCc1ccc(C)cc1 169933206 CLFYUYKVUPXGGB-DEOSSOPVSA-N 438.593 5.087 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccc2OC)c1 169941597 XMSLIZIHSLGUPC-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccc(O)cc2)ccc1F 169961737 BEJWRMDOUGAXAP-NRFANRHFSA-N 437.854 5.276 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(F)ccc2F)c1 169971709 ZJDKMUDNTISCJR-OAQYLSRUSA-N 439.845 5.710 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(OC(C)C)cc1 169977184 DXIIUVQBDMLTPY-XMMPIXPASA-N 443.499 5.265 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@@H]2c2cccs2)cc1 169982503 NBGJJTSIIVMMCX-JOCHJYFZSA-N 433.529 5.098 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2cccc(C)c2)c1 170035863 MLAKJSPMWNWOFX-XMMPIXPASA-N 443.499 5.185 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@@H]2c2ccco2)c1 170092509 ZYKAHXWZQGUKRV-HXUWFJFHSA-N 425.843 5.472 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2sccc2C)s1 170105642 UQXHYNDUHQVHTI-INIZCTEOSA-N 446.500 5.191 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc(OCC(C)C)c3)=C(O)C(=O)N2Cc2ccco2)c1 170143808 PBSAKCXXWCIQMR-XMMPIXPASA-N 445.515 5.401 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccn2)ccc1OC(C)C 170176362 GJTKLXNLVSMQRS-XMMPIXPASA-N 442.515 5.269 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccnc2)cc1C(C)(C)C 170194078 JCSNXCRFQQCFND-QHCPKHFHSA-N 448.563 5.299 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccncc2)cc1Cl 170200366 UEULZZPFTWXKIB-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)cc(Cl)c2OC)[C@H]1c1ccncc1 170211009 LNWRKKLIZLGRIF-GOSISDBHSA-N 449.334 5.166 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2OC)[C@@H]1c1cccc2ccccc12 170220763 LEUPJYVBAVXDDD-DEOSSOPVSA-N 445.515 5.235 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccc(F)cc2)c1 170238769 MJTNZERORAQLLV-HSZRJFAPSA-N 426.447 5.398 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(F)cc2)cc1 170244183 NQAWHCKRXAXKLO-HSZRJFAPSA-N 437.511 5.381 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1F)c1cc2cc(Cl)ccc2o1 170249236 XFGIFVFVAKWVHA-QFIPXVFZSA-N 447.849 6.008 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccc(O)c2)ccc1Cl 170259733 PZEPHLMCUFJLQB-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1ccccc1C 170271669 FXJMSXGXDHYITB-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(C)o2)cc1C 170299113 DVRXZSWWWYLIIB-HSZRJFAPSA-N 449.478 5.607 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2ccc(C)o2)cc1 170300840 PQBGQULEWDKBGP-XMMPIXPASA-N 443.499 5.258 30 10 IKEE Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)Nc2c(Cl)cccc2Cl)n1 248074123 HAMQCTLVZTXIKX-SECBINFHSA-N 434.270 5.707 30 10 IKEE Cl/C(=C\C=NN=C/C=C(/Cl)c1ccc2ccccc2c1)c1ccc2ccccc2c1 254827455 ZNROLMNGIYQMRQ-TWTCDGLESA-N 429.350 7.909 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(Cl)cc2)c1 526489777 SEBFBZNLJMYSJG-QHCPKHFHSA-N 430.891 5.668 30 10 IKEE CCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1cc(Br)ccc1OC 526804350 OXQMQDYGNDYAFJ-UUYOSTAYSA-N 445.386 5.095 30 10 IKEE Cc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccc(Br)cc1 526817215 JQQKCXHMBWPIML-NKVSQWTQSA-N 439.741 5.316 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccccc1OCC 526818256 YPPZJZXBTJYBSB-QFEZKATASA-N 446.979 5.986 30 10 IKEE Cc1cc(Cl)ccc1N(Cc1ccc(C#N)cc1)S(=O)(=O)c1cccc(Cl)c1 586222464 ZUGVUKDHFVBTHB-UHFFFAOYSA-N 431.344 5.569 30 10 IKEE C#CCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(CCCCCC)cc1 586232186 CIZZVAATSSMZCO-UHFFFAOYSA-N 447.600 6.430 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@H](C#N)c1cc(Br)ccc1Cl 698825308 GNWYFQLUGGMIFQ-GOSISDBHSA-N 441.797 6.627 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 698943449 YAMKMZZUQPNFQT-MWTRTKDXSA-N 433.524 5.106 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H]1C(C)(C)[C@]2(C#N)N(C(=O)OC(C)(C)C)C1CCC1 712275119 KDBRGRCHHPCOSL-NXMSCROESA-N 433.593 5.094 30 10 IKEE CCc1ccc(N=C2C(=O)N(CN(C3CCCCC3)C3CCCCC3)c3ccccc32)cc1 1084521324 QNJUDCVDKCWIMX-UHFFFAOYSA-N 443.635 6.641 30 10 IKEE C(=NNc1nc(SCc2ccccc2)n[nH]1)c1ccc2ccc3cccc4ccc1c2c34 1084527839 HEECINSQYIMNBB-UHFFFAOYSA-N 433.540 6.440 30 10 IKEE CC[C@H](C)Cc1c(C)sc2nc(S[C@@H](C)C(=O)Nc3cccc(C#N)c3)nc(O)c12 1458893124 BAIZCULUOIJMIS-JSGCOSHPSA-N 440.594 5.285 30 10 IKEE Fc1c(F)c(F)c(NN=Cc2ccc(OCc3ccccc3Cl)cc2)c(F)c1F 1565518822 GXVAAOMDWPMTKV-UHFFFAOYSA-N 426.772 6.061 30 10 IKEE O=C1/C(=C\c2ccc(F)cc2)SC(=NN=C/C=C/c2ccccc2)N1Cc1ccco1 1772759004 IZTCHOWDWBLWMD-QINFVCRSSA-N 431.492 5.590 30 10 IKEE Fc1c(-c2c(F)c(F)c(F)c(F)c2F)cncc1-c1c(F)c(F)c(F)c(F)c1F 1848358452 GHGSQBGNIZFBAX-UHFFFAOYSA-N 429.188 5.946 30 10 IKEE N#Cc1ccccc1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n(-c2cccc(Cl)c2)n1 1859410850 CVAOGZXLNOJYNO-UHFFFAOYSA-N 443.850 5.225 30 10 IKEE C=CCOC(=O)c1sc(NC(=O)c2c(C)c(CC)nc3ccc(Cl)cc23)nc1C 1859644731 VKVZBDUDIARMIN-UHFFFAOYSA-N 429.929 5.119 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(OC)cc1 1862385650 UWVYXKJHWNLJBN-BLVKFPJESA-N 434.319 5.379 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@@H]1c1ccccc1C(=O)O 1862395237 PKYVTFLPVYHIFZ-QHCPKHFHSA-N 449.547 5.496 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@@H]2c2cccc(C)c2)cc1 1862429447 NABBQELLCPZTKX-QHCPKHFHSA-N 431.919 5.735 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1cccc(F)c1)c1ccccc1Cl 1862430271 HGULUIBXRLISDA-OAQYLSRUSA-N 439.845 5.397 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CC)cc1OCC 1862440970 WMVMOQKEOIZNBI-NRFANRHFSA-N 443.927 5.126 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@H]2c2ccccc2)c1 1862487011 QDNKCMNWUYIFDJ-QHCPKHFHSA-N 431.919 5.735 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@H]2c2ccc(C)cc2)cc1 1862532609 HYIQHMRULQXMAO-VWLOTQADSA-N 441.527 5.215 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862535368 YOWFKBANJLDRLD-YQIFXUADSA-N 445.603 6.529 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccccc2Cl)cc1 1862535943 NIECDKFYCNEMSI-QFIPXVFZSA-N 441.955 5.296 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccccc1F)c1ccc2c(c1)CCCC2 1862544417 CFPVJDWJSVZHTF-VWLOTQADSA-N 447.550 6.006 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccccc2)cc1 1862661253 VHBAOEIYVNKUAO-DFBJGRDBSA-N 425.528 6.150 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccc(OCCC)c1 1862669524 YCUDKQXIDBLPBO-DEOSSOPVSA-N 435.564 5.977 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 1862672528 CNGOLUQMTDGAGH-JOCHJYFZSA-N 427.491 5.904 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(Cl)cc1 1862712068 IXRVEUYQHMNFPF-HSZRJFAPSA-N 433.935 6.118 30 10 IKEE N#Cc1ccc(NC2=C(c3cccc4ccccc34)C(=O)N(Cc3ccccc3)C2=O)cc1 1863224282 HGXRFOCZFBEXKU-UHFFFAOYSA-N 429.479 5.104 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(N(CC)CC)cc2)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863278313 SNJGBRYBQVPJMM-UHFFFAOYSA-N 444.362 5.218 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](Cc1ccccc1)NC(=O)/C=C(/c1ccc(C)c(C)c1)C1CC1 1868670289 MZPWEZDOKSFPIC-YOIXRZRBSA-N 442.603 5.025 30 10 IKEE C=CCN(CC=C)c1cc(N2C[C@@H](C)Cc3ccccc32)nc(-c2ccc(OCC)cc2)n1 1869332282 ICBAMUCKLJKHCT-NRFANRHFSA-N 440.591 6.051 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)Nc2cccc3ccccc23)c(=O)cc1C 1870084444 DVKRKUVJRKJADV-UHFFFAOYSA-N 448.607 6.468 30 10 IKEE CCCCCCCCn1cc(C(=O)N[C@@H](C)c2cc(C)ccc2OCC)c(O)cc1=O 1870118366 KWINTFYSQURHND-IBGZPJMESA-N 428.573 5.113 30 10 IKEE C=CCOc1cn(CCc2ccccc2)c(CNc2cccc(C(F)(F)F)c2)cc1=O 1870810195 QYUBGHLBUOKGBY-UHFFFAOYSA-N 428.454 5.287 30 10 IKEE CCCCCCCOc1cn(CCCN(C)C)c(CNc2ccc(C)cc2C)cc1=O 1870837639 QMQAKCJVZTVTIB-UHFFFAOYSA-N 427.633 5.378 30 10 IKEE C[C@@H]1CCCC[C@H]1N1COc2ccc3c(c2C1)O/C(=C\c1ccccc1OC(F)F)C3=O 1871351081 JPBYBADBXKZIGJ-HPABIRLYSA-N 441.474 5.635 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OC(=O)COc4ccc(C)cc4)c3C)C2=O)cc1 1871370359 XOXPDETWNGLZPY-IWIPYMOSSA-N 428.484 5.466 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O)c1ccc(Cl)c(Cl)c1 1871372579 ZAUXJCAMVFPJOA-JMIUGGIZSA-N 429.230 5.968 30 10 IKEE Cc1cc(OC(=O)COc2ccc(Cl)cc2)cc2c1C(=O)/C(=C/c1ccccc1F)O2 1871380857 GIELBZRKKATOMO-NHDPSOOVSA-N 438.838 5.388 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(F)cc2)C3=O)CC1 1871383861 XAXXFMDRNVAPJB-JLPGSUDCSA-N 436.523 6.652 30 10 IKEE COc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccc(C)cc4)cc(C)c3C2=O)cc1 1871407570 MBDJGNNZEPDWPX-SMNNTEATSA-N 443.499 5.334 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871412154 VARQXFQLSJFEJS-SGMWPGOQSA-N 431.463 5.410 30 10 IKEE CCc1ccc(OCCCOc2ccc3c(c2C)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871412801 FEGBWGTYZCOIKM-UQQQWYQISA-N 432.491 6.161 30 10 IKEE CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O 1871434146 ROZKYMFUIOJFGZ-BDBXIWDTSA-N 445.309 5.176 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2cn(C)c4ccccc24)C3=O)c1 1871455944 DROKWQOJLNSSET-MXAYSNPKSA-N 438.483 5.120 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3cc(C)ccc3C)ccc2C1=O 1871460433 MEBYNVRDVYPHSV-QFEZKATASA-N 443.499 5.336 30 10 IKEE C=CCN(CC=C)c1nc(=NCc2cccc(C)c2)nc(Nc2ccc(C(C)C)cc2)[nH]1 1871504144 CZNJARIAPQSSDG-UHFFFAOYSA-N 428.584 5.259 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(OC)cc2C)[nH]c(N2CCC[C@@H](C)C2)n1 1871691865 IEWRNMVLFVMETR-LJQANCHMSA-N 440.636 5.363 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(Nc2ccccc2)cc1)C(C)C)S(=O)(=O)CCC 1872144049 CQZBTDYZIKTBMH-QHCPKHFHSA-N 443.613 5.011 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(Cl)c(C)c1)[C@H](C)CC)S(=O)(=O)CCCC 1872315967 UYJMZSKXKFKUOD-UZLBHIALSA-N 429.026 5.010 30 10 IKEE N#C[C@@H](C(=O)CCCOc1ccc(Cl)cc1)c1nc(-c2cccc(Cl)c2)cs1 1872767052 RWXUVQOGWPLEGP-SFHVURJKSA-N 431.344 6.152 30 10 IKEE COc1ccc(OC)c(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)c1 1872778201 GLOVDDVOFZESKM-AQDCRGGLSA-N 448.544 5.342 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3OC)cs2)cc1 1872783822 IQTGOFZTJSGIOT-ACGJQVIASA-N 434.517 5.116 30 10 IKEE CC(C)COc1ccc(C(=O)[C@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 1872787813 RRIORSHSQOCPJM-SFHVURJKSA-N 445.371 6.642 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2C)=C(c2cc(F)cc(F)c2)C1=O 1873318246 MMAFUBHOJUHOTH-UHFFFAOYSA-N 426.507 5.826 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1c[nH]c2ccc(OC)cc12 1873500213 KEXXHYBKNKVGJT-DHRITJCHSA-N 439.972 5.548 30 10 IKEE CCOc1cc(/C=N/n2c(S)nnc2CC(C)C)ccc1OCc1ccc(Cl)cc1 1873502741 SNDSEVSPEQJMHV-ZMOGYAJESA-N 444.988 5.279 30 10 IKEE C=CCn1c(C(=O)Nc2cc(C(C)C)cc(C(C)C)c2)cc2c(N(C)CCCC)ncnc21 1873665711 SLLYTVHBACWGLO-UHFFFAOYSA-N 447.627 6.353 30 10 IKEE CCCSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874277570 XDTBOUXVVPRVLU-BFTFCADCSA-N 441.645 5.074 30 10 IKEE CCCSc1nnc(COCc2ccccc2)n1/N=C/c1ccc(Cl)cc1Cl 1874355222 SBWLWDYQGWDZDU-FSJBWODESA-N 435.380 5.686 30 10 IKEE COc1cccc(/C=N/n2c(Cc3ccc(C)cc3)nnc2SCc2cccc(F)c2)c1 1874388142 XMGXXPVCWYHSQM-JVWAILMASA-N 446.551 5.500 30 10 IKEE Fc1cccc(Cl)c1/C=N/n1c(SCCc2ccccc2)nnc1-c1ccccc1 1874428399 HPCSWEGAQAGZQH-WGOQTCKBSA-N 436.943 5.955 30 10 IKEE CC(C)(C)c1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2[C@@H]2CCCO2)cc1 1874445348 WSYZCTZXKFGMGO-YYHBXHNPSA-N 438.572 5.741 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2C2CCCC2)cc1 1874452038 AGKICWGQXFSJTQ-OVVQPSECSA-N 447.652 6.265 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2ccc(Cl)c(Cl)c2)nnc1C1CCC1 1874497615 RRYBRZFMSMDQKI-WYMPLXKRSA-N 431.392 6.335 30 10 IKEE CC(C)c1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccc(O)c(O)c1 1874515003 MINJXYJTQZTLMU-LSFURLLWSA-N 437.352 5.294 30 10 IKEE CC(C)(C)c1ccc(OCCCc2nnc(S)n2/N=C/c2ccc(O)c(Cl)c2)cc1 1874570871 MQQPFKBTAJXJOC-ZVHZXABRSA-N 444.988 5.117 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)cc1OCc1cccc(C)c1 1874600904 JEELMXULCDYZAV-FMIVXFBMSA-N 448.515 5.505 30 10 IKEE C=CCOc1c(Br)cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1OC 1874604140 XIKGRGMEVSKRBB-DHZHZOJOSA-N 427.338 5.797 30 10 IKEE O=C(/C=C/c1ccc(OCc2c(F)cccc2Cl)cc1)c1ccc(Cl)cc1Cl 1874606119 XANZPAAVYMKBDK-IZZDOVSWSA-N 435.709 7.261 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)OCCC)c([N+](=O)[O-])c2)cc1 1874607399 MDDDOQGWBBWGPX-UKTHLTGXSA-N 425.481 5.166 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(OC)ccc2OC)cc(OC)c1OCc1ccccc1 1874620736 QCORSDGMVIZVCO-WYMLVPIESA-N 444.527 5.916 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1C 1874622761 UBWFANFLZHUMDL-GZTJUZNOSA-N 428.572 7.166 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OCC(=O)NC1CCCCC1 1874625076 KUCAIVUCJCQKDD-OQLLNIDSSA-N 435.564 5.542 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OC(=O)CCOc1ccccc1 1874699063 BNDKUASHRKEJKR-ZRDIBKRKSA-N 436.891 5.619 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(Br)c1OC(=O)C(C)C 1875103375 WLBIVRLXVNGYTH-FMIVXFBMSA-N 445.353 5.868 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)c1ccccn1 1875111551 KHXVMIOFULXOAG-MDZDMXLPSA-N 428.271 5.512 30 10 IKEE O=C(Cc1cc(Cl)ccc1Cl)Oc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1 1875123594 UNBCFVGNAPDEGS-IZZDOVSWSA-N 445.729 6.691 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC(=O)c1ccc(OC)cc1 1875125079 PWRJLWSYVVSJMC-UUILKARUSA-N 438.426 5.487 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)c1ccncc1 1875133677 GSOUWYRASWKWPY-CSKARUKUSA-N 427.500 5.551 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)CCc1ccccc1 1875135741 FZZZROPCORUMDY-RVDMUPIBSA-N 448.946 6.481 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 1875136564 DZKCNWTYSIZNJV-RQZCQDPDSA-N 442.555 6.807 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])c([N+](=O)[O-])c2)c1 1875140423 FZGUFWSSSWJSQU-PKNBQFBNSA-N 446.415 5.235 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OC(=O)c1ccncc1 1875148512 GMDJVIGCGSZHGG-BJMVGYQFSA-N 449.934 6.156 30 10 IKEE O=C(CCCOc1ccccc1)Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1 1875154108 OQBLFQOKVAZKLG-LVZFUZTISA-N 436.507 6.501 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)[C@@H]1CCCO1 1875155858 DBNJGWNLWCLBPW-LTSKSLEPSA-N 428.912 5.453 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])c1 1875159914 QSZKIDXNWDDBFO-WUXMJOGZSA-N 435.407 5.248 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3Cl)c([N+](=O)[O-])c2)cc1C 1875175037 WCWIOUSUXJYABY-DHZHZOJOSA-N 435.863 5.980 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)COc2ccccc2)cc1 1875184696 LZKFQAWFMNAEHL-GHRIWEEISA-N 428.528 6.173 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)CCc1ccccc1 1875184892 WHBNKRNGEMYGLY-JLHYYAGUSA-N 428.528 6.055 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)c(F)c3)cc2)c2ccccc12 1875191079 YRDRPQXKWYLLHR-RIYZIHGNSA-N 444.433 6.242 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N(C)CCCC)n2CCOC 1875224980 ANAXMYOGAVQJGY-UHFFFAOYSA-N 445.652 5.502 30 10 IKEE C=CCCCC[C@@H](NC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875650175 GHKVTHVOBWOGJR-UHSQPCAPSA-N 445.603 6.212 30 10 IKEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)n[nH]2)c1C 1889728198 WRGCFBHVOOVJNA-UHFFFAOYSA-N 437.853 5.391 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)Nc3ccc(Br)cc3)ccc21 1891127022 SEIOJUCIHZSLCO-UHFFFAOYSA-N 444.329 5.031 30 10 IKEE O=C(CCSc1ccc(Cl)cc1)NCC#CCOc1cccc(C(F)(F)F)c1 1891955324 PCPXQQKKKARITN-UHFFFAOYSA-N 427.875 5.040 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NC)c1c(Br)cccc1Br 1922107252 KIRNNIZYOHCZAU-GOSISDBHSA-N 425.164 5.245 30 10 IKEE CCCCCCC[C@H](NCCC)c1c(Br)sc(Br)c1Cl 1923079934 ONXASIAUPMTRNL-NSHDSACASA-N 445.692 7.328 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@H]1N(C(=O)OC(C)(C)C)CCC12CCCC2 2009265313 KHAHLCGVAXEXCI-PKTZIBPZSA-N 428.617 5.307 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C12CCCC2 2017316370 GOKVVICOZFOBNF-HSZRJFAPSA-N 447.601 5.311 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)CC12CCC2 2063292957 RSBBFQKEFGCNGO-RUZDIDTESA-N 441.572 5.644 30 10 IKEE O[C@H](C[C@@H]1CCC[C@@H]2O[C@H]12)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071325283 VNSIDHNYFRPCNB-AFUCOJPPSA-N 430.544 5.836 30 10 IKEE CCCc1ccc([C@@H](C)n2nc(C3CCC3)c(C=NO)c2I)cc1 2079863192 RRERMXBJVFEBBU-CYBMUJFWSA-N 437.325 5.125 30 10 IKEE Cc1cc(C)c([C@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C2(C)CC2)c(C)c1 2080054435 QAAMFKMADINXKI-IBGZPJMESA-N 430.390 5.820 30 10 IKEE Fc1ccc(C(F)(F)F)cc1-c1c(C(F)(F)F)nn2c(Cl)c3c(nc12)CSC3 2081273966 GUEAHUBPCSOTCT-UHFFFAOYSA-N 441.759 5.973 30 10 IKEE C=CCN(CC[C@@H](NCC)c1cccc(Br)c1Cl)C(=O)OC(C)(C)C 2081411168 GYUZYIXSQHGYPI-MRXNPFEDSA-N 431.802 5.566 30 10 IKEE C=CCCCC[C@@H](NCCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2123080349 MMBOFCYANQWRHK-GOSISDBHSA-N 425.411 6.583 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(F)c(Br)c(F)c1 2142154393 AIAXPMNZMTWGOO-WBVHZDCISA-N 433.337 5.237 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(Nc3cccc(Br)c3C#N)CCCCC[C@@H]12 2162340943 CWGJPSLRHYNXNQ-WIYYLYMNSA-N 434.378 5.445 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H](C2(Nc3cc(Br)cc(F)c3C#N)CC2)C1 2163690761 YMCYDHHKRMOSFJ-CYBMUJFWSA-N 438.341 5.051 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](CNc2cccc(Br)c2C#N)[C@H]2CCCC[C@H]21 2179391321 BKFBIDMLTINFJJ-QMTMVMCOSA-N 434.378 5.158 30 10 IKEE CCCC#C[C@H](NC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2218455868 GLBWEWVKEMBVDQ-LBNVMWSVSA-N 429.560 5.270 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)nn1C(C)C 2232483404 KNRPUOVWKSLEEU-MAUKXSAKSA-N 443.430 5.127 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)[C@@H](CC=C(C)C)NC(=O)OC(C)(C)C 2235723713 LLXXGJWXNPDJJY-WOJBJXKFSA-N 435.406 5.028 30 10 IKEE C=C(COCc1ccccc1)[C@H](CN(CC1CCCC1)C(=O)OC(C)(C)C)NCCC 2250558067 FTFBPSPPIZJZBV-DEOSSOPVSA-N 430.633 5.555 30 10 IKEE Cc1sc(C(=O)N(Cc2ccccc2)CC2CCCC2)cc1B1OC(C)(C)C(C)(C)O1 2255865182 DWYGCGYNHROTEB-UHFFFAOYSA-N 439.430 5.188 30 10 IKEE C#CCCC[C@@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2262876145 ZMUSBVCTXCSOKR-AREMUKBSSA-N 429.560 5.665 30 10 IKEE C=C(C)CCCC[C@@H](NCCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2287384072 QCQLIQLVOVKQNG-LJQANCHMSA-N 439.438 6.973 30 10 IKEE O=C(C=CC=Cc1ccccc1)C[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 2293202292 PDVGYBUXCSPYFL-MHZLTWQESA-N 443.930 5.303 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)CCCCN(C)C(=O)OC(C)(C)C 2296277632 UYTVGDYGNNCCCQ-FQEVSTJZSA-N 437.422 5.206 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)N(c3ccccc3)c3ccccc3)cc2)cc1 2296864868 XSJPPSIEMSOJIA-UHFFFAOYSA-N 449.506 6.928 30 10 IKEE COc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cn(C)c4ccccc24)C3=O)c1 2296872201 ZPUAVDPMXCFVDC-UHFFFAOYSA-N 425.440 5.022 30 10 IKEE Cc1cc(C)cc(N=C2NC(=O)C(=Cc3ccc(OCc4ccccc4C#N)cc3)S2)c1 2297298380 AUJXYYKQTNPWDC-UHFFFAOYSA-N 439.540 5.646 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@H](C#N)[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C 2299160670 BROVZKDRPLOYQI-MSOLQXFVSA-N 433.524 5.105 30 10 IKEE O=C1NC(=Nc2ccccc2)SC1=Cc1cc(N=Nc2ccccc2Cl)ccc1O 2313533013 KQJVRDNZUUHOOF-UHFFFAOYSA-N 434.908 6.353 30 10 IKEE Cc1cc(OCc2ccc(Cl)c(Cl)c2)cc2c1C(=O)C(=Cc1ccccc1F)O2 2321787480 XUQRKYRDLTZBLL-UHFFFAOYSA-N 429.274 6.636 30 10 IKEE Cc1c(OCc2ccc(Cl)c(Cl)c2)ccc2c1OC(=Cc1cccc(Cl)c1)C2=O 2321790267 LJIPSMBZGJLPAN-UHFFFAOYSA-N 445.729 7.150 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(C(C)(C)C)cc1)C3=O)CN(CCCN(C)C)CO2 2322335629 AYTFEBWYVATBIS-UHFFFAOYSA-N 434.580 5.012 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1ccccc1Cl)c1ccc2c(c1)CCCC2 2322335781 SJLQFKVKMKHVBX-UHFFFAOYSA-N 437.366 7.347 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(-c4ccccc4)cc1)C3=O)CN(CC(C)C)CO2 2322353703 RGUFYHBVXGUPLT-UHFFFAOYSA-N 425.528 6.086 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1cccc(Cl)c1)C3=O)CN(CCC1=CCCCC1)CO2 2322377501 WJTAEGBQAAFVPL-UHFFFAOYSA-N 435.951 6.307 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccco1)C3=O)CN(C(c1ccccc1)c1ccccc1)CO2 2322401890 OPSWTZCAUPVTOG-UHFFFAOYSA-N 449.506 6.146 30 10 IKEE COc1ccccc1C(=O)C=Cc1c(OCC(=O)NC2CCCCC2)ccc2ccccc12 2322478967 LIZUJYAJCVMJMH-UHFFFAOYSA-N 443.543 5.572 30 10 IKEE Cc1ccc(C(=O)C=Cc2c(OCC(=O)Nc3c(C)cccc3C)ccc3ccccc23)cc1 2322591573 LBRFTFAKBPHIDM-UHFFFAOYSA-N 449.550 6.679 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2c(OCCc3ccccc3)ccc3ccccc23)cc1 2322607287 KJJMFTHVYFLMHX-UHFFFAOYSA-N 436.551 7.146 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3cccc(C)c3C)c2)cc1C 2323081303 MJIZQHVSCRLKAT-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE CCc1ccc(NC(=O)COc2cc(C=CC(=O)c3ccc(Cl)cc3)ccc2OC)cc1 2323126473 XOAZZGZMWYPZHN-UHFFFAOYSA-N 449.934 5.825 30 10 IKEE CCc1ccc(NC(=O)COc2cc(C=CC(=O)c3ccc(C)cc3C)ccc2OC)cc1 2323138548 IVKZADZHKBPQAN-UHFFFAOYSA-N 443.543 5.788 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OCc1ccc(Cl)c(Cl)c1 2323160712 PMQXRLSPSSVDAS-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE CCc1ccccc1NC(=O)COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC 2323168910 MWXRWAARPYVRQE-UHFFFAOYSA-N 447.506 5.619 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1ccc2ccccc2c1 2323396461 LIEGUNYDQXRZEV-UHFFFAOYSA-N 443.886 6.877 30 10 IKEE COc1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2323424126 VAYKEKGYJLBBKH-UHFFFAOYSA-N 446.886 5.892 30 10 IKEE O=C(CC(c1ccccc1)c1ccccc1)Oc1ccc2c(c1)OC(=Cc1ccccn1)C2=O 2323538791 MLZYEAXAEBUWHB-UHFFFAOYSA-N 447.490 5.825 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2cccc(Br)c2)cc1 2323651823 JJNIGWFTEDXQID-UHFFFAOYSA-N 444.369 5.373 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)NC1CCCCC1 2323802643 VLKISPRWJLSBIV-UHFFFAOYSA-N 427.928 5.072 30 10 IKEE CCOc1cc(C=NNc2nc(-c3ccc(OC)cc3OC)cs2)ccc1OC(C)C 2323850941 ZEKHXBBCSOUWKT-UHFFFAOYSA-N 441.553 5.459 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OCc1cccc2ccccc12 2323865550 RHPRQUSPMVGBCS-UHFFFAOYSA-N 436.551 7.330 30 10 IKEE CN(Cc1ccccc1)Cc1c(O)ccc2c1OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2324077423 BMZOEJGSVLWAFX-UHFFFAOYSA-N 447.534 6.307 30 10 IKEE CCCCN(CC)Cc1c(O)cc(C)c2c1OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2324123896 DDDWQXXHHCMXQR-UHFFFAOYSA-N 434.363 6.246 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OCc1cc(C)ccc1C 2324305826 MRYCEUJHNSFIGV-UHFFFAOYSA-N 444.571 6.803 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OCc2ccccc2Cl)c(Cl)c1 2324366184 XXGKDQWNFVSTTM-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE O=C1C(=Cc2cccc(Cl)c2)Oc2cc(OCCCOc3ccc(Cl)cc3)ccc21 2324553369 IBGNPFUUMOBUOG-UHFFFAOYSA-N 441.310 6.458 30 10 IKEE CC(C)c1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(Cl)cc3Cl)n2)cc1 2324647801 NRDPIJCKFBHECE-LJQANCHMSA-N 441.383 7.130 30 10 IKEE Cc1cc(C)c(COc2ccc3c(c2)OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)cc1C 2324762595 VVPZCSWOCBVYTH-UHFFFAOYSA-N 426.556 7.105 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3c(ccc(OCC(=O)C(C)(C)C)c3C)C1=O)cn2C 2324919265 ONANPSQUVAODCK-UHFFFAOYSA-N 433.504 5.106 30 10 IKEE Cc1cc(OC(c2ccccc2)c2ccccc2)cc2c1C(=O)C(=Cc1ccccc1F)O2 2325216231 TYYJEFUAMKCWOZ-UHFFFAOYSA-N 436.482 6.919 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)Nc2ccc(C#N)cc2)cc2c1C(=O)C(=Cc1cccc(F)c1)O2 2325302214 MFSOCCWIRNOKCX-INIZCTEOSA-N 442.446 5.028 30 10 IKEE COc1cccc(C=C2Oc3cc(OCCC(=O)Nc4ccccc4)cc(C)c3C2=O)c1 2325480098 XBGCMAOYGRIILD-UHFFFAOYSA-N 429.472 5.027 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC(=O)C(c3ccccc3)c3ccccc3)c2)cc1 2325705423 CITLGLJHTIRUPT-UHFFFAOYSA-N 446.546 6.883 30 10 IKEE CCCCc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1 2325719516 MXRQOMBCDVIKED-UHFFFAOYSA-N 445.490 5.802 30 10 IKEE CCCCCCC(=O)Oc1cc(C=CC(=O)c2ccccc2)c(Br)cc1OC 2325732434 UCZNDHJWELBJRO-UHFFFAOYSA-N 445.353 6.230 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OC(=O)COc3ccc(C)cc3C)c2)c1 2325744314 IAHCTCAJFDXQCI-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccccc2-c2ccccc2)c1)c1ccc2c(c1)OCO2 2325747720 WEWZLIMYLWQZSX-UHFFFAOYSA-N 448.474 6.198 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)ccc2OC)cc1OC(=O)CC1CCCCC1 2325778452 BQJDOLWUQPMEKA-UHFFFAOYSA-N 442.939 6.129 30 10 IKEE CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1ccc(CC)cc1 2325905737 WMIDCNKLXTXMFL-UHFFFAOYSA-N 436.625 6.020 30 10 IKEE CCCCCCCOc1ccccc1C=Nn1c(C)nnc1SCc1ccccc1F 2326265654 FVKWWMOBWZOKCF-UHFFFAOYSA-N 440.588 6.249 30 10 IKEE Clc1ccccc1OCc1nnc(SCc2ccccc2)n1N=Cc1cccs1 2327649356 QQYSAPDHWRPTJL-UHFFFAOYSA-N 440.981 5.747 30 10 IKEE CCCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1cc(Cl)ccc1O 2327778694 FAXRJTIZTAVIFG-UHFFFAOYSA-N 436.968 5.765 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccc(C)c(C)c3)n2N=Cc2cccs2)cc1 2328768867 TYROFQJYHWFYDH-UHFFFAOYSA-N 448.617 6.018 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2)n1N=Cc1cccc(Cl)c1 2329486972 ZFYPQXOSMMYRBR-UHFFFAOYSA-N 447.007 6.200 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2N=Cc2ccccn2)cc1 2330022013 IOPMJXOHLNHMDX-UHFFFAOYSA-N 433.968 5.400 30 10 IKEE C=C(C)CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1ccc(Cl)cc1Cl 2330103592 LLJYMVLVBQFZBD-OAHLLOKOSA-N 431.392 6.287 30 10 IKEE CCSc1nnc(CC2CCCCC2)n1N=Cc1ccc(OCc2ccccc2C)cc1 2330258790 DBMJPWFRHLQVNR-UHFFFAOYSA-N 448.636 6.283 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cccc(OC)c3)cc2OC)cc1 2330800035 HOYGOVXEQXIVTM-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccccc1Cl 2330910864 NIVWVSNBWZMFRY-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1cccc(Cl)c1 2331049542 NTYYKGYWFIEHRD-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)c1ccccc1Cl 2331077612 IGZXFLGCTJDEPJ-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(C=CC(=O)c3cccc(Cl)c3)cc2[N+](=O)[O-])c1 2331129105 KQYRCFBGUJENFC-UHFFFAOYSA-N 435.863 5.980 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(C)c3)cc2OC)cc1 2331348651 MJKKZXOTZAUHCF-UHFFFAOYSA-N 434.463 5.196 30 10 IKEE CC(C)(C)c1nnc(SCc2ccccc2Cl)n1N=Cc1ccc([N+](=O)[O-])cc1 2331397514 KQQRFCIDLOEJMH-UHFFFAOYSA-N 429.933 5.312 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC(=O)CC(C)C 2331429973 ATGBDADBGGNBQM-UHFFFAOYSA-N 434.576 6.569 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)c1cccnc1 2331801460 ZOANJGLQFWYRKV-UHFFFAOYSA-N 429.516 5.811 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)CC1CCCCC1 2331864010 FTCCOMXFJCQQAL-UHFFFAOYSA-N 447.358 6.774 30 10 IKEE CC1(C)OB(c2ccc(Oc3cccc(OCc4ccccc4)c3)c(C#N)c2)OC1(C)C 2339265813 ZGHQFQHSBBIKEN-UHFFFAOYSA-N 427.309 5.229 30 10 IKEE CCN(CCCCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2339601775 AUNUUQQUMWNOAM-UHFFFAOYSA-N 446.397 5.142 30 10 IKEE COc1ncc(Br)c(C)c1[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2368190532 QFGAGXNQQAJVGP-MRXNPFEDSA-N 438.366 5.296 30 10 IKEE O=C1/C(=C/c2ccccc2Br)Oc2cc(OCc3cccc(Cl)c3)ccc21 2428896 KEBPCZXWMSTIGE-NHDPSOOVSA-N 441.708 6.298 30 10 IKEE COc1ccc(-c2nnc(SCc3ccccc3C#N)n2CCc2ccccc2)cc1 11068122 YKLFNLBFQQPNAA-UHFFFAOYSA-N 426.545 5.360 30 10 IKEE COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2S[C@@H]3c2ccccc2)cc1OC 19638828 JZWXBFVEHMKJDS-XHCCPWGMSA-N 443.568 6.364 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(OCCC)cc2)cc1 21237808 OXMLNWFVXAIPDW-NFBKMPQASA-N 433.548 5.269 30 10 IKEE CSc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(Cl)c(Cl)c2)C3)cc1 21242571 LDOUGHSRJBQYAX-ZBFHGGJFSA-N 432.372 5.720 30 10 IKEE CCCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2OC)S/C1=N\c1cccc(C)c1 28721502 ZZUAWELTWPZCLM-MAVBTGMRSA-N 445.972 5.027 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccco2)=C(O)C(=O)N1c1cccc(C(F)(F)F)c1 32555274 ZWUCELZOSWAZHX-LJQANCHMSA-N 427.378 5.390 30 10 IKEE CCCCSc1nnc2c(n1)O[C@@H](c1ccc(C#N)cc1)N(C(C)=O)c1ccc(C)cc1-2 32997447 GXRPNNSVTOAIQF-QHCPKHFHSA-N 445.548 5.055 30 10 IKEE C/C(=N/OCc1ccc(C#N)cc1)c1cc(-c2ccc(F)cc2)n(-c2cccc(C)c2)c1C 35843449 IKUJVWVZVVTAAZ-GTWSWNCMSA-N 437.518 6.713 30 10 IKEE C=CCc1ccccc1OCc1nc2ccccc2n1CCOc1cc(C)ccc1C(C)C 39907160 JPRLKDNFEQVLNN-UHFFFAOYSA-N 440.587 6.855 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN([C@@H](C)c2ccccc2)C3)C1=O 41587410 BUDYXGFUQQRIEL-QETRNLNESA-N 441.527 5.923 30 10 IKEE CSc1cccc(NC(=O)C2CCN(c3c(C#N)cnc4ccc(Cl)cc34)CC2)c1 65034370 CCWZIVMTEKMBNW-UHFFFAOYSA-N 436.968 5.337 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(OC)c(Br)c2)S/C1=N/c1ccc(C)c(C)c1 97466701 WQVAFROCZAAHDK-JUAGQRJUSA-N 445.382 5.698 30 10 IKEE N#CC1(c2ccccc2)C/C(=C/c2ccccc2Cl)C(=O)/C(=C\c2ccccc2Cl)C1 108129354 UQKCZQYCSDNAOB-HHQODBOJSA-N 444.361 7.285 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2ccccn2)cc1 169994553 BGRWZNWFZFHFPW-QFIPXVFZSA-N 448.906 5.225 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(F)cc2)cc1 170061860 BRXGNJGKTUPYAR-XMMPIXPASA-N 445.490 5.488 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1ccc(F)cc1)c1c[nH]c2ccccc12 170064170 VVWNOENPKDUTQB-JOCHJYFZSA-N 448.400 5.368 30 10 IKEE Cn1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccco2)c2ccccc21 170084491 GWKPWODZYBBCHH-QFIPXVFZSA-N 446.890 5.203 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccco1)c1ccc(Cl)cc1 170093943 XNJPETMDRAFWOO-GOSISDBHSA-N 447.796 5.735 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccs2)c1 170153916 HQVIRWJUJOAJJM-IBGZPJMESA-N 425.893 5.193 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2cccs2)cc1 170157005 DZZLWICKHSDKPO-HSZRJFAPSA-N 447.556 5.881 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2cccs2)c(C)c1 170160754 CIJOOOJRGWUCFG-XMMPIXPASA-N 439.536 6.301 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@@H]1c1ccccc1C 170277360 MUZFGTHXIJVABF-NRFANRHFSA-N 427.928 5.426 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1C1CCCC1 170319674 SXAPJUXCIPGCFU-FQEVSTJZSA-N 425.550 5.365 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(OC)cc(OC)c2)cc1 170390113 VTWAVZUJKULJAX-QFIPXVFZSA-N 449.528 5.111 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2cccc(C)c2C)cc1 170453521 HOYNTHREGFTXML-VWLOTQADSA-N 434.580 5.665 30 10 IKEE COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=NN=C2C=C(C)CC(C)(C)C2)N=C1O 252644083 ZYRJTFHKLASHHY-QGZVFWFLSA-N 448.976 5.227 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)SC1=Nc1ccccc1 254493224 NCUQQABARUJCAN-MMKHHPBPSA-N 426.541 6.056 30 10 IKEE CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C/C(=C/c5cnn(C)c5C)C(=O)[C@]4(C)CC[C@H]32)C1 254714469 JMQZWPIAQPSGBR-DUNAETHDSA-N 436.596 5.185 30 10 IKEE Cc1[nH]c2ccccc2c1/C=C1/SC(=Nc2ccccc2)N([C@@H](C)c2ccccc2)C1=O 254826836 OUHSPJKTHNYAMN-YWYLHZTCSA-N 437.568 6.842 30 10 IKEE C[C@H](OC(=O)CCc1ccccc1)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]12C 256442062 LHPBUFXEIOLURH-AVKBSRGRSA-N 434.620 6.309 30 10 IKEE Cc1c(Br)c2ccccc2n1Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 306098424 OMQHINBJLZVZOQ-UHFFFAOYSA-N 426.163 5.060 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(O)cc2)cc1Cl 526520971 JKQJSOURGSFMPV-HSZRJFAPSA-N 446.890 5.373 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@H]2c2ccc(Br)cc2)c1 526522959 UJNUILBYCOLXHU-OAQYLSRUSA-N 449.279 5.517 30 10 IKEE CC(C)COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(O)cc2)cc1 526604295 HBVFLRZQCXBIGU-RUZDIDTESA-N 440.499 5.356 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccc(C)c2)c1 526605857 USLCVMUYIJIBNM-AREMUKBSSA-N 438.527 6.103 30 10 IKEE CCCOc1cccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2C#N)c1 526607740 VFMWMVSQQRLPBW-DEOSSOPVSA-N 428.463 5.543 30 10 IKEE Cc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccc(C(F)(F)F)c2)cc1 526609539 VNRSLDXRNMNEBA-QFIPXVFZSA-N 434.417 5.943 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(F)c2)ccc1OC 526707803 JFIOWOLILSGBOY-HSZRJFAPSA-N 447.462 5.016 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1ccccc1OCC(C)C 526806169 YXWRBADSGVRPKN-QQXSKIMKSA-N 436.625 6.138 30 10 IKEE CCOc1cc(/C=N\n2cnnc2SCc2ccc(Cl)cc2)ccc1OC(C)C 526806683 QPPSHHBMIIGSFK-MSXFZWOLSA-N 430.961 5.292 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1ccc(F)cc1 526813736 IEVQPGXIOSFICT-MSXFZWOLSA-N 437.371 6.241 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1 698439721 AXBHXLYYUGTQTF-MZNJEOGPSA-N 445.560 5.118 30 10 IKEE C[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)CCN1C(=O)OC(C)(C)C 698888488 COLWHDNQSUFFCX-HJPURHCSSA-N 449.979 5.763 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 698906524 ZRCQGZVYSOQAEB-WAIKUNEKSA-N 433.524 5.106 30 10 IKEE C#Cc1cccc(NC(=S)/C(=C(/O)c2cccc(C(F)(F)F)c2)[n+]2cccc(C)c2)c1 783695035 RFRBNOKGDLEATQ-UHFFFAOYSA-O 439.482 5.606 30 10 IKEE C=CCN1C(=O)/C(=C/c2c[nH]nc2-c2ccccc2)SC1=Nc1ccc(OCC)cc1 1772724144 HTQGORZHYXPDFP-POLMPROESA-N 430.533 5.265 30 10 IKEE CN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)SC1=Nc1cccnc1 1772730556 BVDLAWBLXVLLRK-FKSIKXIZSA-N 435.936 5.548 30 10 IKEE CCCCCCCCN1C(=O)/C(=C\c2ccc(OCCC)c(OCC)c2)SC1=S 1858587252 RHRMLOSOMCGQDS-HEHNFIMWSA-N 435.655 6.436 30 10 IKEE C=C(C)COc1cccnc1NC(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 1858858813 AOKLWWZQYYTYOX-UHFFFAOYSA-N 430.533 6.266 30 10 IKEE CC(C)C[C@@H](C)N(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 1859939793 FGEMJQAKKQVPIJ-CYBMUJFWSA-N 435.383 6.945 30 10 IKEE CCCCCNC(=S)N/N=C/c1cn(CCOc2ccc(Cl)cc2)c2ccccc12 1860498845 WLOQWCVARLIAJP-WGOQTCKBSA-N 443.016 5.362 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)CCc1ccc(Cl)cc1)[C@@H](C)CC 1861110511 DEEMYEPVPJEDFC-GBXCKJPGSA-N 437.068 6.060 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)c1c(Cl)ccc(Cl)c1OC 1861145882 ZVGFNNLWNHDGNR-SFHVURJKSA-N 445.431 5.767 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(OC)cc1 1862385656 UZEJQBSVMYNNLN-FQEVSTJZSA-N 448.346 5.771 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2cccc(OCC)c2)cc1 1862392830 HHHUTJCEOVAKCH-HOYKHHGWSA-N 435.564 5.805 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862421204 FJUVHMIZCVJMLR-NYHFZMIOSA-N 443.490 5.521 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl 1862436423 SIDYXAFIHPZZOO-OAQYLSRUSA-N 448.862 5.027 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@@H]1c1ccc(F)cc1)c1cccc(Cl)c1 1862441889 DVDKKKPMTCYIIN-JOCHJYFZSA-N 441.930 6.170 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1F 1862445945 HPTKMBAVCXWPTJ-HXUWFJFHSA-N 449.881 5.012 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2cccc(F)c2)cc1 1862473914 IPGJRTOFJOMWSS-DEOSSOPVSA-N 429.491 5.345 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(F)cc2F)c1 1862491429 SKWBQNRCASUNIW-OAQYLSRUSA-N 439.483 5.422 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(C)cc2)cc1 1862531584 ABTMFURGJSMBDK-RUZDIDTESA-N 425.528 5.378 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2cc(Cl)cc(Cl)c2)cc1 1862539018 TWDDJBBABGHEGR-XCLFUZPHSA-N 432.347 5.933 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862597992 QFNYTZGUCWRICK-XMMPIXPASA-N 449.547 5.482 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2ccccc2F)c1 1862702628 ICHICZFELLCHQW-DEOSSOPVSA-N 445.490 5.045 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862717301 ADEPTZILTZPCBH-QRQCRPRQSA-N 430.460 5.125 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(C(=O)O)cc1 1862727216 YSYNFJFYIXDQQL-HSZRJFAPSA-N 441.483 5.039 30 10 IKEE CCc1ccc(NC2=C(c3cccc4ccccc34)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862854537 YDNSUGJWUZJXHU-UHFFFAOYSA-N 443.506 5.670 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Br)cc2C(C)C)=C(c2ccc(F)cc2)C1=O 1863150396 QTWCRCVLUYSWAO-UHFFFAOYSA-N 443.316 5.090 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(Cl)cc3)C2=O)c1 1863173039 IJWIYRYDKCSHKI-UHFFFAOYSA-N 441.918 5.221 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccccc2Cl)C1=O 1863447534 WZBNKGPYWKXMDF-UHFFFAOYSA-N 435.955 5.764 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCC)=C(c2ccc(Br)cc2)C1=O 1863558946 DJHKTHJVWUTTID-UHFFFAOYSA-N 435.406 5.279 30 10 IKEE CC(C)c1ccc(N(C(=O)c2cccc(C#N)c2)C2CCN(Cc3ccccc3)CC2)cc1 1865852786 MHLOSFHZYKCVHT-UHFFFAOYSA-N 437.587 5.993 30 10 IKEE C=CCN(CC=C)c1cc(N(CC)CCc2ccncc2)nc(-c2ccccc2Cl)n1 1867978466 AVVSDHMYQHRVRD-UHFFFAOYSA-N 433.987 5.439 30 10 IKEE CCc1nc(Nc2ccccc2C#N)cc(N2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)n1 1868286267 DCHQYZMZDUVTMQ-HXUWFJFHSA-N 437.469 6.015 30 10 IKEE CCc1nc(Nc2ccc(C#N)cc2)cc(N2CCc3ccccc3[C@H]2c2cccc(F)c2)n1 1868290969 CXQVLLXZRVIWPT-MUUNZHRXSA-N 449.533 5.945 30 10 IKEE CC(C)(C)c1ccc(-c2nc(Nc3ccccc3C#N)cc(N3CCC[C@@H](CO)C3)n2)cc1 1868550357 PGXDODCWNRLGHN-LJQANCHMSA-N 441.579 5.265 30 10 IKEE CCCCCCCCn1cc(C(=O)N[C@H](C)c2cc(C)ccc2OCC)c(O)cc1=O 1870118367 KWINTFYSQURHND-LJQANCHMSA-N 428.573 5.113 30 10 IKEE CCCCCCCOc1cn(CCCCN2CCCC2)c(CN2CCCCCC2)cc1=O 1870414425 PDKYVFVDFIMBOK-UHFFFAOYSA-N 445.692 5.450 30 10 IKEE CCCCCCCCn1cc(OCc2cccc(OC)c2)c(=O)cc1CN(C)CCCC 1870608465 IHQHKLDQKAVMQF-UHFFFAOYSA-N 442.644 6.028 30 10 IKEE CCCCCCCOc1cn(Cc2cccnc2)c(CNc2ccccc2C(C)C)cc1=O 1870833363 FZGKTLUDIIILSS-UHFFFAOYSA-N 447.623 6.376 30 10 IKEE CCCCCCCOc1cn(CCCCCC)c(CNc2ccc(Cl)cc2)cc1=O 1870839540 OTKQBFZPVOCFTH-UHFFFAOYSA-N 433.036 7.043 30 10 IKEE C=CCn1cc(OCc2ccc(F)cc2)c(=O)cc1CNc1cc(Cl)cc(Cl)c1 1871075240 RVWOSMMGNULYNH-UHFFFAOYSA-N 433.310 5.671 30 10 IKEE C=CCn1cc(OCc2ccccc2Cl)c(=O)cc1CNc1cc(Cl)cc(Cl)c1 1871242277 OGAMSDMCNQDXDQ-UHFFFAOYSA-N 449.765 6.186 30 10 IKEE Cc1ccc(Cn2cc(OCc3ccc(C#N)cc3)c(=O)cc2CNc2ccccc2C)cc1 1871255442 XHEQPGJMYPALCZ-UHFFFAOYSA-N 449.554 5.576 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccccc3F)CO4)C2=O)cc1 1871346876 FTJPFLCSJMRIIW-MXAYSNPKSA-N 429.491 5.917 30 10 IKEE CCN(CC)CCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(Cl)cc1)C3=O 1871349283 SMBROYCATPYWQQ-HAHDFKILSA-N 440.971 5.230 30 10 IKEE CCCCOCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(C(C)(C)C)cc1)C3=O 1871350408 DZMMJSSDKBNQSD-UQQQWYQISA-N 449.591 5.959 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc4c(c1)OCO4)O3)CN([C@H]1CCCC[C@@H]1C)CO2 1871351034 HBCCYXDBAPIPAX-DRGCRVGJSA-N 433.504 5.071 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2OCC)C3=O)cc1 1871389619 GIFHTWXTZMISEH-XYGWBWBKSA-N 442.467 5.486 30 10 IKEE O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)Oc2cc(OCCCCOc3ccccc3)ccc21 1871403023 APECOICBIJJTQV-JLPGSUDCSA-N 431.444 5.449 30 10 IKEE CCCCCCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O 1871421369 BKIWEPPNYGCCTO-NHDPSOOVSA-N 449.330 6.112 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(OCCC)cc3)n2)cc1 1872762303 IXFWAGLGFKRWPW-QHCPKHFHSA-N 432.589 6.360 30 10 IKEE CCCCCCCCNC(=O)c1ccc2nc(Cc3ccc(Br)cc3)[nH]c2c1 1872807929 LRWTXOMJVYJDRQ-UHFFFAOYSA-N 442.401 6.007 30 10 IKEE Sc1nnc(Cc2cccs2)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1873504753 KDNOVYYPJSIAFS-YDZHTSKRSA-N 440.981 5.334 30 10 IKEE Clc1ccc(OCc2nnc(SCCc3ccccc3)n2/N=C/c2ccccc2)cc1 1874265449 YIZLPBHWUIUQCW-YZSQISJMSA-N 448.979 5.728 30 10 IKEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1cccc(OCC)c1 1874283515 LTQLYGNZHKHVIA-LFVJCYFKSA-N 426.973 5.276 30 10 IKEE Cc1ccccc1/C=N/n1c(CCc2ccccc2C)nnc1SCc1ccccc1 1874362686 QYUBRVXLVMTBNL-OVVQPSECSA-N 426.589 5.855 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2ccccc2)nnc1-c1ccccc1Cl 1874367341 XQAJAYOPLYRSJU-MFKUBSTISA-N 434.952 5.782 30 10 IKEE CCCSc1nnc(CCc2cccs2)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874372154 KZTSVJYVLYQQQU-HZHRSRAPSA-N 444.626 5.305 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(O)cc1 1874394960 ZUTYJRTYIRVZFT-AEIQVQRHSA-N 432.524 5.449 30 10 IKEE Cc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2c(Cl)cccc2Cl)cc1 1874439931 ATEUSACEGOROTQ-DHRITJCHSA-N 447.435 6.656 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2[C@H]2CCCO2)c(F)c1 1874446410 YMFYRDAQQYGKTL-SFQCIDFKSA-N 434.899 5.236 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCc3cccc4ccccc34)nnc2[C@@H]2CCCO2)c1 1874449840 MUNRRGOMJBSZMK-XQQQEEOESA-N 444.560 5.471 30 10 IKEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3ccccc3C)nnc2C2CCCC2)c1 1874454118 BCKHSIAYDWIEAQ-MFKUBSTISA-N 433.581 5.166 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2C2CCC2)cc1 1874493295 FFSXKPRNSXCUDX-OVVQPSECSA-N 448.636 6.598 30 10 IKEE COC(=O)c1ccc(COc2ccc3ccccc3c2/C=C/C(=O)c2ccc(C)cc2C)o1 1874578802 HSGHRSUWXQBLMN-OUKQBFOZSA-N 440.495 6.311 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccccc2F)c1 1874580811 HMHWFEBJOGHSNT-JXMROGBWSA-N 426.871 5.971 30 10 IKEE Cc1cc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2nccs2)ccc1F 1874581514 RDCZYAKWQFKBOS-ZZXKWVIFSA-N 430.888 5.158 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(F)c(F)c2)c1OCC(=O)Nc1cccc(C)c1 1874585325 SEESZDBPDYFGJZ-ZRDIBKRKSA-N 437.442 5.195 30 10 IKEE Cc1ccccc1NC(=O)COc1cccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c1 1874597492 PTFJXMVOYVNPLN-SFQUDFHCSA-N 427.544 6.206 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(OC)c1OCc1cccc(F)c1 1874608760 FXHLGIYFDFNQGW-ZHACJKMWSA-N 426.871 5.971 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(N(C)C)cc3)c2)cc1C 1874696280 PTFLJNDSGFUSAP-AWNIVKPZSA-N 445.515 5.194 30 10 IKEE Cc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C(C)C)cc3)c2)c(C)c1 1874709522 FTLMFGMJEZIMMJ-NTEUORMPSA-N 428.528 6.307 30 10 IKEE O=C(Cc1ccc(Cl)cc1)Oc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1 1875094874 MULYELUQXVFVBF-CXUHLZMHSA-N 426.899 6.537 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(OC)c1OC(=O)c1ccccc1 1875101007 GRNXGOHAXPGPIP-SAPNQHFASA-N 426.512 6.101 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OC(C)=O)cc3)cc2)cc1C 1875107223 GGGSJLAOWPJTTA-MKMNVTDBSA-N 430.456 5.044 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(/C=C/C(=O)c2ccccc2OC)cc1Cl 1875118541 BOELAPYYOWEUIK-ACCUITESSA-N 436.891 5.401 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3ccco3)c(OC)c2)cc1 1875129036 HXFIZKOOJDSBCJ-IZZDOVSWSA-N 426.852 5.456 30 10 IKEE Cc1ccsc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1Cl 1875149770 HGFITKGZFGDJHE-GORDUTHDSA-N 426.877 5.554 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(C)cc3C)cc2)cc1F 1875152950 WEFNBMVXEMPQTR-YRNVUSSQSA-N 434.463 5.332 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3)c(OC)c2)cc1F 1875153535 LNNVAPLQHIORNF-XYOKQWHBSA-N 434.463 5.277 30 10 IKEE Cc1cc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2)ccc1Cl 1875156292 SPPFLOSYRQIZGY-GIDUJCDVSA-N 448.946 6.652 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)Cc1ccccc1 1875170107 IGIDKYXADBTPMJ-ACCUITESSA-N 428.528 5.973 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1 1875170794 QHOYSFYHQYSHST-YRNVUSSQSA-N 445.471 5.644 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2OC)c1 1875179138 VEXAJSKZUYSGHW-UKTHLTGXSA-N 444.527 5.755 30 10 IKEE CC(C)(C)c1cc(CCC(=O)N2CC[C@@H](Oc3cc(C#N)ccn3)C2)cc(C(C)(C)C)c1 1890544767 OVTNFQBGXKZEOC-HSZRJFAPSA-N 433.596 5.161 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)C(C)(C)c3cccc(Cl)c3)cc21 1890546482 XXUWHUJFLABGRL-UHFFFAOYSA-N 426.944 5.194 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@@H](NC(=O)OC(C)(C)C)C1CCCC1)NCCC 1922118922 LFCRQKJQCNTHJA-BJKOFHAPSA-N 430.633 5.601 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1(C)C 2013408718 UCLIOFKIJJWYKK-HOYKHHGWSA-N 435.609 5.532 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2032216161 GDJYYIMKOUFYKJ-CLOONOSVSA-N 449.636 5.924 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCC[C@H]2CNC(=O)OC(C)(C)C)cc1 2032225622 RMRWHKVYJCRSMW-XDHUDOTRSA-N 445.560 5.024 30 10 IKEE CC1(C)OB(c2cnc(N(Cc3ccccc3)C3CCCC3)c3sccc23)OC1(C)C 2052617406 CMMDTHGMBYRSKB-UHFFFAOYSA-N 434.414 5.545 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C12CCC2 2053039087 CSDLPBMJLYWUGP-CJAUYULYSA-N 441.572 5.405 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCCN(C(=O)OC(C)(C)C)C2)c1 2053102127 OPEGHSWRZSUBAP-DEOSSOPVSA-N 445.560 5.120 30 10 IKEE CC(C)Oc1ccc([C@@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C2(C)CC2)cc1 2080057131 FCEVROYBYGNJBO-LJQANCHMSA-N 446.389 5.682 30 10 IKEE CC[C@@H](c1ccc(OC(C)C)cc1)n1nc(C(F)(F)F)c(C=NO)c1Br 2080064235 PSRXSNUHAOUFLJ-AWEZNQCLSA-N 434.256 5.259 30 10 IKEE CC[C@H](c1ccc(OC(C)C)cc1)n1nc(C2CC2)c(C#N)c1I 2080120198 WQXSIHZLYIQNGX-QGZVFWFLSA-N 435.309 5.023 30 10 IKEE N#Cc1ccc(Br)cc1OCc1ccc(I)c(Cl)c1 2142991971 XJJUCCJAFPMFGF-UHFFFAOYSA-N 448.485 5.158 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)C[C@@H]2CCCCC[C@@H]2C1 2153401164 XYFWTRWAUQZYHC-FAQVEIGNSA-N 433.390 6.443 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1c1ccc(Nc2cccc(Br)c2C#N)cc1 2162386744 GKYKKZLXFRNBKO-BEFAXECRSA-N 428.330 5.445 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCC[C@H]2CCCC[C@H]21 2201121521 IGUHFKOZOSRWBM-PERKRYKHSA-N 433.390 6.443 30 10 IKEE C=C(Cl)C[C@@H](NCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2221683226 WKYNWRLEFZHQGI-IAGOWNOFSA-N 431.802 5.006 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCC)c2sc(C)c(C)c2Br)C1 2221819182 ZDZNGIUTRLSQLO-MRXNPFEDSA-N 429.424 5.392 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C1C[C@@H]2C[C@H](C1)CN(C(=O)OC(C)(C)C)C2 2258602655 XNLKXJMIPMCEKE-NPZNXQLHSA-N 442.644 5.411 30 10 IKEE N#Cc1cc(Br)ccc1Oc1cc(I)ccc1Cl 2259930976 ZBGTYLUFWFHKHZ-UHFFFAOYSA-N 434.458 5.371 30 10 IKEE C=C1CC(COc2nc3ccc(Br)cc3s2)(NC(=O)OC(C)(C)C)C1 2264301252 ICHYGZBKAHWYEQ-UHFFFAOYSA-N 425.348 5.051 30 10 IKEE C=CC[C@@]1(COc2ncc(F)cc2Br)CCCCN1C(=O)OC(C)(C)C 2272235114 XIDKCHRGCSAHCL-IBGZPJMESA-N 429.330 5.098 30 10 IKEE C[C@@H](CN(CCC(C)(C)C)C(=O)OC(C)(C)C)Oc1cc(Br)cnc1C#N 2288108516 LXPIXPLPUUKGFJ-AWEZNQCLSA-N 440.382 5.156 30 10 IKEE C=C1C(=CC=C2CCC[C@]3(C)C([C@@H](C)CC=CC(O)(CC)CC)=CC[C@@H]23)C[C@@H](O)C[C@@H]1F 2296557521 LRLWXBHFPGSUOX-UHVPJMMYSA-N 442.659 7.158 30 10 IKEE Cc1ccc([C@H]2C(=C(O)c3ccco3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 2296931323 FEGKTRBVPUAEJG-FQEVSTJZSA-N 430.485 5.132 30 10 IKEE O=C1C(=Cc2ccc([N+](=O)[O-])cc2)Oc2cc(OCc3ccc(Cl)c(Cl)c3)ccc21 2314437092 CHKJOJMHQCIEMY-UHFFFAOYSA-N 442.254 6.097 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(Br)cc2)SC1=Nc1ccncc1Cl 2314541859 CQHVUQQLZRHAGJ-UHFFFAOYSA-N 434.746 5.288 30 10 IKEE CCCCC[C@H](CC)N1COc2ccc3c(c2C1)OC(=Cc1c(F)cccc1Cl)C3=O 2322071998 ORJMWFMNGPKBOA-INIZCTEOSA-N 443.946 6.606 30 10 IKEE CCCCCCCCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1cccc(C)c1)C3=O 2322132245 PGKHVPJRAURMPM-UHFFFAOYSA-N 447.619 7.212 30 10 IKEE N#Cc1c(NC(=O)C=Cc2cccc([N+](=O)[O-])c2)oc(-c2ccccc2)c1-c1ccccc1 2322145935 CVHXWNPNBYQDKW-UHFFFAOYSA-N 435.439 6.045 30 10 IKEE CC(C)COC(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc(-c2ccccc2)cc1 2322305535 QLHJTPVXNLGMGT-UHFFFAOYSA-N 448.946 6.481 30 10 IKEE CC1(C)OB(c2ccc(OCc3sc(Cl)cc3Br)cc2)OC1(C)C 2322456155 PCBQSAOBSPZWBL-UHFFFAOYSA-N 429.572 5.042 30 10 IKEE Cc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(-c4ccccc4)cc2)C3=O)c1 2322880704 OXOVHAGMFRJSMP-UHFFFAOYSA-N 432.475 6.497 30 10 IKEE COc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)ccc1OCc1ccccc1F 2323354502 KFEYQIKHNXMADE-UHFFFAOYSA-N 438.498 6.976 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)C(Cl)=Cc4ccccc4)ccc3C2=O)cc1 2323438307 QEYBOPULKIOEQV-UHFFFAOYSA-N 430.887 6.051 30 10 IKEE Cc1c(OC(=O)COc2ccc(Cl)cc2)ccc2c1OC(=Cc1ccccc1F)C2=O 2323533046 NBIJPXSAZQLZQV-UHFFFAOYSA-N 438.838 5.388 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OCC(=O)Nc1ccccc1F 2323960189 DHGGCBVRQKLDIA-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE C[C@H]1C[C@H](C)CN(Cc2c(O)ccc3c2OC(=Cc2ccc(-c4ccccc4)cc2)C3=O)C1 2324054890 DEHKROJBJUEZOO-PMACEKPBSA-N 439.555 6.153 30 10 IKEE C=C(C)COc1c(Cl)cc(C=CC(=O)c2cc(OCC)ccc2OCC)cc1OCC 2324397575 XXELLZMVXNVENA-UHFFFAOYSA-N 444.955 6.387 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccccc2C)C3=O)c1 2324463883 VGZCZYLAMTWPMK-FQEVSTJZSA-N 441.527 5.942 30 10 IKEE CCOc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C)o2)C3=O)cc1 2324522195 AGLQQLFJSLJVPT-KRWDZBQOSA-N 447.487 5.317 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)ccc1OCc1ccc(Cl)cc1 2324586316 UOWNFVQHNOSNFR-UHFFFAOYSA-N 448.990 7.430 30 10 IKEE CCc1ccc(OCCCOc2cc(C)c3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2324662267 MBIGCENZSNBYFP-UHFFFAOYSA-N 448.946 6.675 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)ccc1OCc1ccc(F)cc1 2324693402 DFFZFUQAJZQAJR-UHFFFAOYSA-N 442.486 6.471 30 10 IKEE Fc1ccccc1C=Nn1c(CCc2ccccc2)nnc1SCc1ccccc1F 2325448799 BUHALKZVSPOUOE-UHFFFAOYSA-N 434.515 5.516 30 10 IKEE O=C(COc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O)Nc1ccc(Cl)cc1 2325513306 LAMYWLCHIJTJRY-UHFFFAOYSA-N 431.875 5.530 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1N=Cc1cc(Cl)c(O)c(OC)c1 2325514140 MUMKPHJGZSFNBD-UHFFFAOYSA-N 448.951 5.302 30 10 IKEE CCCCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1cccc(O)c1 2325530246 AORFADAMIYYGSD-UHFFFAOYSA-N 435.380 5.808 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OCC(=O)NCc3ccccc3Cl)cc(C)c2C1=O 2325645511 FHHGWAYCENBRLX-UHFFFAOYSA-N 447.918 5.268 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccccc3OC)c2)cc1 2325710414 ARWOEIMRSAJZDK-UHFFFAOYSA-N 444.527 6.162 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(C=CC(=O)c3cccc(Cl)c3)ccc2OC)c1 2325727799 QBIIABAJVWVBNW-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2)cc1OC(=O)CCCOc1cccc(C)c1 2325731574 INXAVPIEVLAZJI-UHFFFAOYSA-N 430.500 5.664 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2cccc(C=CC(=O)c3ccc(F)c(F)c3)c2)cc1 2325753538 QZRFXHCQWHTTFQ-UHFFFAOYSA-N 436.454 5.934 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1OC(=O)CC1CCCCC1 2325757049 HJTIYJGAHFZZRU-UHFFFAOYSA-N 436.548 6.093 30 10 IKEE CCCCC(=O)Oc1cc(C=CC(=O)c2cc(Cl)c(OC)cc2OC)ccc1OC 2325759364 PRHALQMAHKRFOV-UHFFFAOYSA-N 432.900 5.358 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1N=Cc1ccncc1 2325856078 XDJFYRWSHZAMGM-UHFFFAOYSA-N 435.597 5.143 30 10 IKEE CCCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1N=Cc1ccc[nH]1 2325859481 LMYTUQJPHANSMA-UHFFFAOYSA-N 425.602 5.300 30 10 IKEE COc1ccccc1CCc1nnc(SCc2ccccc2)n1N=Cc1ccccc1C 2328687951 UKMAIFLHDFUMMV-UHFFFAOYSA-N 442.588 5.555 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2ccccc2O)c(C)c1 2328897805 BJZGLTZIVGYLHO-UHFFFAOYSA-N 444.560 5.354 30 10 IKEE Cc1ccc(C=Nn2c(SCc3ccccc3F)nnc2[C@@H](C)c2ccccc2)cc1 2330109179 LYQYZNZDSBHDQE-IBGZPJMESA-N 430.552 6.052 30 10 IKEE Cc1ccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2[C@H](C)c2ccccc2)cc1 2330110252 CIOZHEKKFLFOBN-JOCHJYFZSA-N 440.616 6.530 30 10 IKEE CC(C)Oc1ccc(C(=NOCc2cc(=O)c(OCc3ccccc3)cn2C)C2CC2)cc1 2330335128 LMWOWVBXKZCEEC-UHFFFAOYSA-N 446.547 5.082 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(Cc2ccccc2)n1N=Cc1ccccc1 2330522016 XWPMKDIZTUKNLV-UHFFFAOYSA-N 436.943 5.836 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2[C@H]2CCCO2)c1 2330996162 UZWOPYWAPLZYRB-HXUWFJFHSA-N 442.972 5.356 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2ccccc2C)nnc1C(F)(F)F 2331112619 GVDNAXFVKGNCRF-UHFFFAOYSA-N 434.487 5.569 30 10 IKEE O=C(Cc1ccc(F)cc1F)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1Cl 2331142698 XJFFQTZZFPYJHH-UHFFFAOYSA-N 447.264 6.316 30 10 IKEE Oc1ccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C(F)(F)F)cc1 2331157222 ILDJLQAAYLAFQN-UHFFFAOYSA-N 447.269 5.484 30 10 IKEE COc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2-c2ccco2)cc1 2331216348 BOHPERICFLICLY-UHFFFAOYSA-N 440.528 5.874 30 10 IKEE O=C(CSc1ccccc1)Oc1ccc(C=CC(=O)c2ccc(F)cc2)cc1Cl 2331523151 DJAJRRLGIRUTNR-UHFFFAOYSA-N 426.896 6.073 30 10 IKEE CCc1ccc(C=Nn2c(COC)nnc2SCc2c(Cl)cccc2Cl)cc1 2331595025 CXBMMESDPDZEDA-UHFFFAOYSA-N 435.380 5.468 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)c1ccc(C)cc1 2331629916 DTZFSQXTBFOLSW-UHFFFAOYSA-N 444.527 6.134 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OC(=O)c1cccnc1 2331644364 AQJZUYMSDJSXSQ-UHFFFAOYSA-N 445.515 5.448 30 10 IKEE Cc1cccc(CSc2nnc(C(C)C)n2N=Cc2cc(Br)ccc2F)c1 2331684878 HBYOUULGOALBAY-UHFFFAOYSA-N 447.377 5.786 30 10 IKEE CC(C)c1nnc(SCCc2ccccc2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2331702028 GXLOWANNXORXED-UHFFFAOYSA-N 429.933 5.180 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)c1cccc(F)c1 2331703749 YUJXGPHYZRKGTK-UHFFFAOYSA-N 438.882 6.220 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OC(=O)C2CC2)c(Br)c1 2331748300 DQSRDXYELXQQQE-UHFFFAOYSA-N 449.728 5.631 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3cccc(C)c3)c(OC)c2)cc1C 2331854772 NJMQVPYBSAKAAP-UHFFFAOYSA-N 430.500 5.744 30 10 IKEE CC[C@@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2333108750 ICFXJOAKQGDRCT-NWCVUAARSA-N 428.701 7.204 30 10 IKEE CC1(C)CCC[C@](C#N)(Cc2ccc(I)c(Br)c2)C1 2349877320 CTOMRKKQTOBHJW-INIZCTEOSA-N 432.143 5.706 30 10 IKEE CO[C@]1(C)C[C@@H]2C[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2356218496 GMXXBEKTNRBMBK-VUEDXXQZSA-N 435.362 5.288 30 10 IKEE C=CCN1C(=O)[C@@H](CC(=O)c2ccc(OC)cc2)S/C1=N\c1cccc2ccccc12 15055343 OSFUNMCFPKSQOK-KFLFGZTGSA-N 430.529 5.239 30 10 IKEE Cc1cccc(C)c1/N=C1\NC(=S)N(c2ccc(Cl)cc2)[C@@]1(C)Cc1ccccc1 27495850 VDURZFJPJBGVOM-VWLOTQADSA-N 434.008 6.383 30 10 IKEE COc1ccc(-c2cc(-c3ccccc3)nc(N/N=C/c3ccc(OC)cc3OC)n2)cc1 33957561 VBAADFORZVGCOC-WPWMEQJKSA-N 440.503 5.282 30 10 IKEE CCCCN(CCCC)Cc1c(O)ccc2c1O/C(=C/c1ccc(C(=O)OC)cc1)C2=O 37858017 CWPAXVVMKCWARC-XQNSMLJCSA-N 437.536 5.197 30 10 IKEE Cc1ccc(COc2cccc(/C=C3\S/C(=N/c4nc(C)cs4)N(C)C3=O)c2)cc1 39865163 PYYQWUCLZLLRGQ-ROIOHNFESA-N 435.574 5.573 30 10 IKEE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/Nc2ccc(F)cc2)CCC3)cc(C)c1Cl 40823940 XPDMMFHNQBCQOR-TURZUDJPSA-N 440.902 6.369 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc(OC(=O)Cc4ccc(OC)cc4)c3C)C2=O)cc1 41358088 BRCSRADNQBHUPH-IWIPYMOSSA-N 444.483 5.167 30 10 IKEE COc1ccc(CCN2COc3c(cc4c(c3C)O/C(=C\c3ccccc3)C4=O)C2)cc1 41587540 MIGVFGAKOCKBJQ-OYKKKHCWSA-N 427.500 5.014 30 10 IKEE Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NS(=O)(=O)c1ccc(F)cc1 59239744 DXLMXZMLFUEKOE-IBGZPJMESA-N 449.334 5.897 30 10 IKEE C=C(C)COc1cccc(NCC(=O)Nc2ccccc2OCCCc2ccccc2)c1 66063060 NEPRKFHRWGORHX-UHFFFAOYSA-N 430.548 5.704 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1cccc(C(F)(F)F)c1 100444132 UEGMDBSTRMJTQF-UHFFFAOYSA-N 430.580 7.220 30 10 IKEE CCCCCCCCc1c(C)nn(C(=O)CCCOc2ccc(Cl)cc2Cl)c1C 100458795 VRFGSZFIUWNUCP-UHFFFAOYSA-N 439.427 7.209 30 10 IKEE Cc1ccc(SC2=C/C(=N/S(=O)(=O)c3ccc(F)cc3)c3ccccc3C2=O)cc1 103746824 FMGGJQSMQIOMEV-DAFNUICNSA-N 437.517 5.185 30 10 IKEE N#Cc1ccc(Br)cc1Oc1ccc(Br)cc1Br 123501486 NGNFHYWFHNMOEN-UHFFFAOYSA-N 431.909 5.638 30 10 IKEE CCCOc1c(Cl)cc(/C=N\n2c(Cc3ccccc3)nnc2SC)cc1Cl 169916171 XJVXVMAXDHNDOM-QRVIBDJDSA-N 435.380 5.569 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccccc2OC)cc1 169943302 LPCWTSFLWYUQJQ-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccc(O)cc2)c1 169964892 QINAFXOOMDJLBX-VWLOTQADSA-N 441.527 5.404 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(Cl)cc1)c1ccc2c(c1)CCO2 170059909 BZHDMQLICBGCQT-QFIPXVFZSA-N 437.923 5.186 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1c[nH]c2ccccc12)c1ccc(F)cc1 170073691 BCEIONMDKUONST-QFIPXVFZSA-N 430.410 5.229 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2c[nH]c3ccccc23)cc1 170074359 WNTUKNGQNLZFBB-VWLOTQADSA-N 436.511 5.822 30 10 IKEE CC(C)Oc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccco2)cc1 170094963 CHQBCZLCGMREJQ-HSZRJFAPSA-N 443.455 5.596 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OCC)c3)[C@H]2c2ccc(C)o2)cc1 170099608 MRSNBIYVEWNUFS-QHCPKHFHSA-N 447.487 5.168 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)o1 170101806 PVXGHUNTEBZVBR-OAQYLSRUSA-N 439.870 5.780 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccnc1 170191180 NOEKIXFDJPTLDK-FQEVSTJZSA-N 439.298 5.480 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccncc1 170204649 HSMWBXPHMHMAQX-OAQYLSRUSA-N 448.906 5.143 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(OCC)c1 170218376 YNDSWBUXBPUACP-NRFANRHFSA-N 427.928 5.507 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2ccccc2)cc1 170221455 JUXRCTUTPODGMH-DEOSSOPVSA-N 443.499 5.267 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(F)cc1 170243595 YABZTSHTLALIPM-QFIPXVFZSA-N 425.500 5.157 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@H]1c1ccc(C(C)C)cc1 170245125 XGRTUHUCSDZYLC-JOCHJYFZSA-N 441.955 5.850 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1ccc(C(C)C)cc1 170245207 AXEPZHCTQIDGNG-QHCPKHFHSA-N 437.536 5.206 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccc2F)c1 170247770 DKXJHVFQIQCCLH-JOCHJYFZSA-N 435.426 5.146 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccccc2C)ccc1F 170272805 CAPHIJIUSLRKTL-HSZRJFAPSA-N 426.447 5.097 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccco1 170287033 HXPPOVYNKQNDJJ-QFIPXVFZSA-N 449.934 6.322 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(Cl)c4)[C@H]3c3ccco3)oc12 170287085 IHQGQLGLTAJWBA-FQEVSTJZSA-N 449.846 5.471 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2C)[C@@H]1c1ccco1 170288723 XNPBLULTOWARKX-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc(OCC(C)C)cc3)[C@@H]2c2ccco2)c1 170289076 BOVKMLRYRDBUOA-QHCPKHFHSA-N 447.487 5.111 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccc(C)o2)cc1 170299378 XTGHFRSHLQVVFN-NRFANRHFSA-N 439.414 5.048 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccc(C)o2)cc1C 170301839 LIEOKBBYDJPQGS-DEOSSOPVSA-N 445.515 5.695 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Cl)cc2)c1 170365120 VUBGCOYJRKAKFB-JOCHJYFZSA-N 433.891 5.522 30 10 IKEE CC(C)OC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1 170372357 DMNCPSOFJNQCID-QHCPKHFHSA-N 441.483 5.035 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(F)cc1)c1cccs1 170376656 ZRSWJZQHEIHUNA-GOSISDBHSA-N 448.302 5.977 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccc(OC)c2)cc1 526484873 BKLIPHQWXRWNDF-VWLOTQADSA-N 440.499 5.413 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccc(Cl)c2)c1OC 526489077 FCFPXKWAEOTZCG-QFIPXVFZSA-N 446.890 5.286 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2cccc3ccccc23)[C@H]1c1c[nH]c2ccccc12 526611853 YQCCHBRWTPJQEW-HHHXNRCGSA-N 441.490 6.250 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(C(C)C)cc1 526773555 ONCFVHNWDCCDBE-XMMPIXPASA-N 445.946 6.555 30 10 IKEE CCCOc1c(/C=N\n2cnnc2SCc2c(F)cccc2Cl)cccc1OC 526817544 XQCNPCWVRGKEKE-MYKKPKGFSA-N 434.924 5.043 30 10 IKEE C[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Br)c2)c2ccccc21 698455645 FSBRYHRZSSQKME-IVZQSRNASA-N 427.342 6.117 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)cc1 698891011 WSPUJDJTPPCVCC-HOYKHHGWSA-N 429.561 5.418 30 10 IKEE O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1cc2ccccc2oc1=O 1081082688 GKWUTTDDNKWAOM-QINSGFPZSA-N 436.442 5.681 30 10 IKEE CC(=NNc1nc(SCc2ccc(C(C)(C)C)cc2)n[nH]1)C12CC3CC(CC(C3)C1)C2 1084168455 SGXPLZVLYDALOB-UHFFFAOYSA-N 437.657 6.399 30 10 IKEE C[C@@H]1CC(=Nc2cccc(Cl)c2Cl)c2cc(F)ccc2N1C(=O)c1ccc(F)cc1 1088670865 DXBUEJBMNKDSNK-CYBMUJFWSA-N 445.296 6.831 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H](CS)[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 1614619744 YEYAPGAMCNUTDX-FZMZJTMJSA-N 429.426 5.605 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(O)c(O)c2)SC1=Nc1nc(-c2ccccc2)cs1 1772737093 LXXBPNLEGDKFSP-PNVGRYOSSA-N 435.530 5.011 30 10 IKEE CCOc1cc(/C=C2\SC(=Nc3nc(C)cs3)N(c3ccccc3)C2=O)ccc1O 1772738865 PIWFJCNEPMWPIX-PNVGRYOSSA-N 437.546 5.364 30 10 IKEE N#CCc1cc(C(F)(F)F)cnc1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1848370198 TWWOGYWQJUADGS-UHFFFAOYSA-N 434.459 7.100 30 10 IKEE Cc1sc(NC(=O)CCCOc2ccc(Cl)cc2Br)c(C#N)c1C 1859477909 OSZJGOWVPXPECW-UHFFFAOYSA-N 427.751 5.450 30 10 IKEE C=CCOc1ccccc1OCC(=O)NCc1csc(-c2ccc(Cl)c(Cl)c2)n1 1859559732 YVGCYLKJBHIJHV-UHFFFAOYSA-N 449.359 5.377 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1cccc2ccccc12 1862382253 HJHGAIYYLCZYML-FQEVSTJZSA-N 426.299 5.745 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1c(F)cccc1Cl 1862383104 MXANQESMNATFQK-KRWDZBQOSA-N 442.701 5.774 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(Cl)c(Cl)c1 1862416010 JBJSNPJIYPYFDJ-MGNBDDOMSA-N 440.273 5.648 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccccc1F 1862431038 YGQFDSYTAUUFOF-OYHNWAKOSA-N 435.882 5.819 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccs2)c1 1862479532 JOWCEGORARNPBT-HSZRJFAPSA-N 447.556 5.624 30 10 IKEE CCN(CC)CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(C)cc1 1862487019 QIMSPJCIMGGCPC-VWLOTQADSA-N 448.607 5.312 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(Br)c3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862524880 POQSVQMXHYXODY-VLIAUNLRSA-N 442.353 5.388 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(Cl)cc1 1862617100 FTEMDAULBHSPSW-BTYIYWSLSA-N 425.956 6.014 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccc1 1862648696 IMLDFXJMWSUHTN-DPQOWFAMSA-N 425.528 5.997 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2cc(Cl)cc(Cl)c2)cc1 1862667581 FXBQKUPEVANKBU-HXUWFJFHSA-N 448.346 5.078 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1F 1862674222 SZSYEDDXOYTUDV-AVRDEDQJSA-N 427.491 5.902 30 10 IKEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2C)cc1 1862674565 OYIWVHADJVDRGW-MZNJEOGPSA-N 445.490 5.482 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cccs2)c1 1862676442 IYTGJNCDTQAKDG-NRFANRHFSA-N 437.492 5.064 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1c(Cl)cccc1Cl 1862682281 HYQXTWJILPXZKY-IBGZPJMESA-N 436.310 5.757 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccccc2)c1 1862713376 NSADZAKNEAALJX-AREMUKBSSA-N 433.507 5.927 30 10 IKEE Cc1cc(C2=C(Nc3cccc4ccccc34)C(=O)N(c3cccc(C#N)c3)C2=O)ccc1F 1863095232 MUSARFVYSSBLDU-UHFFFAOYSA-N 447.469 5.556 30 10 IKEE Cc1cc(C2=C(Nc3cccc(C)c3C)C(=O)N(c3ccccc3C#N)C2=O)ccc1F 1863100310 HVBNQFUABMIURX-UHFFFAOYSA-N 425.463 5.019 30 10 IKEE CC(C)Oc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 1863363386 YASZSNRWFLZWET-MBSDFSHPSA-N 443.547 5.116 30 10 IKEE CCC[C@H](NC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1ccccc1C#N 1866990461 JAQPNDCEHLWXGI-LEWJYISDSA-N 446.378 5.528 30 10 IKEE Cc1ccc(-n2nnc(C#N)c2NC(=O)[C@H](Cc2ccccc2)c2ccccc2)cc1Cl 1870147641 AKHNYNVTPBJQDW-OAQYLSRUSA-N 441.922 5.066 30 10 IKEE C=CCOc1cn(CCc2ccccc2)c(CSc2nc3ccccc3s2)cc1=O 1870244591 XTULMLUUYLKNCY-UHFFFAOYSA-N 434.586 5.558 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(O)cc2)c(CN2C[C@H](C)C[C@@H](C)C2)cc1=O 1870416909 VFTKGYGMCXXKFA-FGZHOGPDSA-N 440.628 5.429 30 10 IKEE CCCCCCCOc1cn(C[C@@H]2CCCO2)c(CNc2ccc(Cl)cc2)cc1=O 1870833411 HRWLSHXHOZXPNW-QFIPXVFZSA-N 432.992 5.642 30 10 IKEE C#CCOc1cn(Cc2ccc(C)cc2)c(CNc2ccc(-c3ccccc3C)cc2)cc1=O 1871009375 RYLBGNRQCQFZPT-UHFFFAOYSA-N 448.566 5.805 30 10 IKEE CC(C)OCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(Cl)cc1Cl)C3=O 1871346278 WBABHXSTNBHTJL-FBHDLOMBSA-N 448.346 5.577 30 10 IKEE Cc1ccc(C)c(CN2COc3cc(C)c4c(c3C2)O/C(=C\c2ccc(Cl)cc2)C4=O)c1 1871349031 NZQRCDNJOYLNIU-MSXFZWOLSA-N 445.946 6.234 30 10 IKEE C[C@@H]1CCCC[C@H]1N1COc2ccc3c(c2C1)O/C(=C\c1ccc(Cl)c(Cl)c1)C3=O 1871350478 HXKQTUOSBTUCJS-DDNFXEDJSA-N 444.358 6.340 30 10 IKEE COc1ccc([C@@H](C)N2COc3c(cc4c(c3C)O/C(=C\c3cccc(C)c3)C4=O)C2)cc1 1871358810 CODDSITUHSGOGJ-WEPUMBSASA-N 441.527 5.841 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccco2)C3=O)c(OCC)c1 1871386924 VHSNOKLCNZGVCL-XKZIYDEJSA-N 434.444 5.221 30 10 IKEE C=CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871389880 SFHVNNQXROUVSW-UCQKPKSFSA-N 446.886 6.049 30 10 IKEE CCCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2)C3=O)c1 1871390724 AHPRRTXBZVHMAL-UCQKPKSFSA-N 428.440 5.228 30 10 IKEE CC(C)N(Cc1ccccc1)Cc1c(O)ccc2c1O/C(=C\C=C\c1ccccc1)C2=O 1871393908 RBGLRGGVYRLCKD-JFTQUGOGSA-N 425.528 5.975 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OCCOc4ccccc4)ccc3C2=O)c2ccccc21 1871397050 HBRCXOBZROBHMC-QQXSKIMKSA-N 425.484 5.735 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(F)cc1)C2=O 1871424379 HUEDBVOHHCPDNO-UCQKPKSFSA-N 445.490 5.639 30 10 IKEE CCOc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871452085 CVWLFQXQCPGKEW-QRVIBDJDSA-N 449.890 5.372 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4cc(Cl)ccc4C)ccc3C2=O)c1 1871457409 FHEYBFCVXCRKMO-KSEXSDGBSA-N 433.891 5.591 30 10 IKEE CCCCCCCCN=c1nc(N(CC)CC)[nH]c(=Nc2cccc(C(C)(C)C)c2)[nH]1 1871642456 PIWPMSLQJQCSQU-UHFFFAOYSA-N 426.653 5.375 30 10 IKEE CCCCCCCCN=c1nc(N2C[C@@H](C)C[C@H](C)C2)[nH]c(=Nc2cccc(Cl)c2)[nH]1 1871648048 WMBQQFNBAPCTSH-OALUTQOASA-N 445.055 5.367 30 10 IKEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1cc(C)ccc1C 1871802648 DENYFNCNRLVPRB-NRFANRHFSA-N 449.016 5.249 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)CCCC 1872362782 XUQIZMWIOYUBOJ-IBGZPJMESA-N 448.551 5.211 30 10 IKEE C=CCN([C@@H](C(=O)Nc1cc(Cl)ccc1C)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872464826 ANBRDJKRPHLQSW-HTAPYJJXSA-N 449.016 5.187 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccccc1 1872513039 HBPQVZHGCPOQHU-QHCPKHFHSA-N 428.598 5.068 30 10 IKEE Cc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 1872762891 YZZGBZUCGVRURX-SFHVURJKSA-N 445.371 6.461 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCCCNC(=O)c3ccccc3)n2)c(C)c1 1872769610 WPELCMJUYSXLEP-JOCHJYFZSA-N 445.588 5.594 30 10 IKEE COc1ccc(OC)c(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(C(C)C)cc3)n2)c1 1872771314 RGUYFCAXEJEOTG-FTUXVVSKSA-N 432.545 5.840 30 10 IKEE Cc1ccc(C)c(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)c1 1872779114 BSUCBZWYIODUPY-XMMPIXPASA-N 438.552 6.638 30 10 IKEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(Cl)cc3Cl)n2)cc1C 1872782824 NUBZXRBHBGXOFF-INIZCTEOSA-N 431.344 5.989 30 10 IKEE N#Cc1ccc(NC(=O)c2ccc3nc(COc4cc(Cl)ccc4Cl)[nH]c3c2)cc1 1872804807 LSIQBPGYHZYNPS-UHFFFAOYSA-N 437.286 5.573 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc(COc2cccc(C(=O)OCC)c2)cc1 1872865407 BXUYYLOBNCSBER-UHFFFAOYSA-N 439.596 6.313 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc(COc2ccc(CC(C)(C)C)cc2)cc1 1872868996 MFMHOQVBKHVIRN-UHFFFAOYSA-N 437.668 7.725 30 10 IKEE CCOc1ccc(NC(=O)c2ccc(CSc3nc(C)c(C)c(C)c3C#N)cc2)cc1 1872895253 KITHBHVSODXVFJ-UHFFFAOYSA-N 431.561 5.822 30 10 IKEE Cc1cc(C)c(C2=C(Nc3cccc(C#N)c3)C(=O)N(Cc3cc(C)ccc3C)C2=O)c(C)c1 1873332350 WABCLBSLUABCKJ-UHFFFAOYSA-N 449.554 5.493 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(C)ccc2OCC)=C(c2cccs2)C1=O 1873405830 XZWOANOBUZKCQH-UHFFFAOYSA-N 440.609 6.008 30 10 IKEE CCCCCCCCNC(=O)c1cc2c(N(C)Cc3ccccc3)ncnc2n1CCC 1873571984 NDYLJFBZLXBKNZ-UHFFFAOYSA-N 435.616 5.568 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccccc1C(C)C)n2CC 1873619613 JCTDNPFNJRYUBV-UHFFFAOYSA-N 435.616 6.599 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1CC(=O)N([C@H](C)C23CC4CC(CC(C4)C2)C3)C1 1873937051 XRESFGQFHPLRCN-HIBUFZFVSA-N 430.677 5.697 30 10 IKEE CCCSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1cccnc1 1874198917 ZMSNHHPTTHQCKO-NLRVBDNBSA-N 431.565 5.222 30 10 IKEE CSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1c[nH]c2ccccc12 1874205498 DOTSWXNJSFIKOQ-AUEPDCJTSA-N 432.336 5.249 30 10 IKEE CCSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1ccccc1OC 1874206143 MJBMVZXGCVFYKL-SSDVNMTOSA-N 437.352 5.167 30 10 IKEE CCSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1ccc(F)cc1F 1874206182 OMNROCVZFLBZNU-NUGSKGIGSA-N 443.306 5.436 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccccc3Cl)n2/N=C/c2ccc(F)cc2)c1 1874366339 TZJCHDQJYDIAEI-VULFUBBASA-N 436.943 6.221 30 10 IKEE C=CCSc1nnc(COc2ccccc2)n1/N=C/c1ccc(OCCCCC)cc1 1874385703 DDIJLHAJHBHQHA-XIEYBQDHSA-N 436.581 5.586 30 10 IKEE Cn1cccc1/C=N/n1c(CC2CCCCC2)nnc1SCc1cccc(Cl)c1 1874408583 DUCDFQDNNDHKRW-BUVRLJJBSA-N 428.005 5.567 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CC(C)(C)C)nnc1SCc1ccc(C)cc1 1874436437 ARHHKOXHIDQWKJ-YZSQISJMSA-N 434.609 5.914 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(C)(C)C)n2/N=C/c2c(Cl)cccc2Cl)c1 1874484182 JKQFHJQGSUYZIF-BRJLIKDPSA-N 447.435 6.674 30 10 IKEE C=CCSc1nnc(CCC)n1/N=C/c1ccc(OCc2ccccc2)c(OCC)c1 1874508689 QBVDUZQXYWTERW-KOEQRZSOSA-N 436.581 5.369 30 10 IKEE Cc1ccc(COc2ccc(/C=N/n3c(S)nnc3-c3ccccc3Cl)cc2)cc1 1874562443 WZBJNLPKGYQVHF-AFUMVMLFSA-N 434.952 5.657 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)cc1 1874573004 PYAKZYMISNNWIY-DHZHZOJOSA-N 445.773 7.684 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(C)c(C)c2)cc1C 1874588287 ZDCJDGRXYCWEBX-DHZHZOJOSA-N 447.962 6.487 30 10 IKEE C=C(C)COc1c(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)cc(Cl)cc1OC 1874590306 DTHIWNLXLRGYLK-AATRIKPKSA-N 441.738 6.515 30 10 IKEE CCc1ccc(NC(=O)COc2cc(/C=C/C(=O)c3ccc(F)c(C)c3)ccc2OC)cc1 1874595927 ISZJXFGJNCXGJQ-NTUHNPAUSA-N 447.506 5.619 30 10 IKEE CCOc1c(OC)ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)c1Br 1874599874 IOUTZJIIFWKUDP-FMIVXFBMSA-N 431.370 6.358 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 1874614105 DYMXWZONGDSFPI-VAWYXSNFSA-N 435.907 5.571 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)N(CC)CC)c(OCC)c2)cc1 1874617113 KSWXMUGLZYFOAU-OQLLNIDSSA-N 439.552 5.017 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1Cl 1874637116 JROYQCMUXRFULU-MDNBWPLSSA-N 449.934 5.501 30 10 IKEE COc1ccccc1CCC(=O)Oc1cccc(/C=C/C(=O)c2ccc(OC)c(OC)c2)c1 1874693961 FPVBUMMPIGTPOA-SDNWHVSQSA-N 446.499 5.147 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1cccc(/C=C/C(=O)c2ccc(Cl)cc2)c1 1874700857 QCGKABHEHMHLAR-MKMNVTDBSA-N 425.311 6.428 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc4cc(Cl)ccc4n3)c2)c1 1874703286 IOICRBGZPBQJMM-MDWZMJQESA-N 441.914 6.620 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)c2)c1 1874703483 RXVMSTPZKSNTBI-JLHYYAGUSA-N 444.487 5.393 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1Cl 1875096618 WWQMZVHYKFTREW-GHRIWEEISA-N 448.990 8.045 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1ccc(C)cc1 1875097805 DEEXEVFHJBCRNA-MHWRWJLKSA-N 440.539 6.388 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc([N+](=O)[O-])c1OC(=O)c1cccnc1 1875100558 HAJMIDDFUDWVGG-FMIVXFBMSA-N 446.459 5.066 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])c([N+](=O)[O-])c2)cc1 1875100834 KGGYJWYSYRRGID-UKTHLTGXSA-N 446.415 5.181 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1sccc1C 1875105748 KJTMXQLKWIJAMI-XVNBXDOJSA-N 447.339 6.487 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)c1ccco1 1875112113 TUYCTDXRKJUMPX-MDZDMXLPSA-N 431.271 6.100 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC(=O)Cc1cccs1 1875121696 CXROUJAFOCSGPQ-CSKARUKUSA-N 426.921 5.844 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2[N+](=O)[O-])cc1C 1875127224 UBGHZQBXOQLEPM-FMIVXFBMSA-N 431.444 5.092 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc(Cl)c1OC(=O)CC(C)(C)C 1875147255 UNDHIFRJOXNDHV-FNORWQNLSA-N 444.911 5.358 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)CC(C)C 1875157313 YOHQFCZTIZZPRL-KPKJPENVSA-N 428.956 6.710 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2OC)cc1 1875159719 WVPWDZCIPVMYHA-VIZOYTHASA-N 448.490 5.667 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)c1cccc(F)c1 1875162161 ZMAFKMKWFFIBKF-RMKNXTFCSA-N 442.389 5.236 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2OCC)cc1 1875176363 DZABLKYSZJPVRT-OVCLIPMQSA-N 444.527 6.216 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OC 1875179029 PKOPXCVXJZSRBV-GXDHUFHOSA-N 444.527 5.755 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)c1ccccc1C 1875182759 UGDOAYNDIKTTCE-VAWYXSNFSA-N 444.527 6.053 30 10 IKEE C=CCn1c(C(=O)N(CCC)CCCC)cc2c(NCCc3ccc(F)cc3)ncnc21 1875227927 RAOWVQMSUOZGQJ-UHFFFAOYSA-N 437.563 5.063 30 10 IKEE C=CCn1c(C(=O)N(C)Cc2ccccc2)cc2c(NCCCCCCCC)ncnc21 1875230089 OICDDYCHQBKLIN-UHFFFAOYSA-N 433.600 5.662 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCC23CN(C(=O)OC(C)(C)C)C3)cc1 1918320906 KITHBHLGDYNUDC-VWLOTQADSA-N 441.572 5.420 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](CCC(C)(C)C)NC(=O)OC(C)(C)C 1922067878 FFKBVKHEMWTIJQ-XZOQPEGZSA-N 432.649 5.847 30 10 IKEE C=C(COCc1ccccc1)[C@H](NC)c1cc(NC(=O)OC(C)(C)C)c2ccccc2n1 1922071412 KIWZVRWOJRDHRT-DEOSSOPVSA-N 433.552 5.615 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 1945521314 FLOVHSXHZRFUMF-MNEFBYGVSA-N 433.524 5.105 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 1996784324 QCYDFIYFAHCUEC-KIHHCIJBSA-N 428.617 5.021 30 10 IKEE CC(C)(C)OC(=O)NCC[C@@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 2037227913 ANMBCXPPOILFFB-UQBPGWFLSA-N 449.636 5.924 30 10 IKEE C=CCC[C@@H](C)[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCC 2040533900 OBLBAIAADHPNHP-ISKFKSNPSA-N 443.676 5.516 30 10 IKEE C=CCCCC[C@H](NCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071266797 IPOFOFNCMOWKPL-MHZLTWQESA-N 429.604 7.242 30 10 IKEE CC1([C@@H](c2ccc(C(F)(F)F)cc2)n2nc(C(F)F)c(C#N)c2Br)CC1 2079928064 ALGLMHWQTHQVFN-CYBMUJFWSA-N 434.206 5.863 30 10 IKEE CC(C)Oc1ccc([C@@H](C(C)C)n2nc(C(F)(F)F)c(C#N)c2Br)cc1 2080058064 SEPUQJWCRAVIIZ-OAHLLOKOSA-N 430.268 5.569 30 10 IKEE CCOc1ccc([C@@H](n2nc(C3CC3)c(C#N)c2I)C(C)(C)C)cc1 2080095076 OMKKQAATURGDAH-GOSISDBHSA-N 449.336 5.271 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cccc(Br)c1Cl 2081391261 FCFFZCHIXIHXSJ-NVXWUHKLSA-N 431.802 5.613 30 10 IKEE N#Cc1cnc2c(-c3cc(F)cc(Br)c3)c(C3CCCCC3)nn2c1Cl 2081423868 PNJJMPZEJXSIPY-UHFFFAOYSA-N 433.712 5.871 30 10 IKEE C[C@H](N(CCOc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)Cc1ccccc1)C(C)(C)C 2095897152 APKHPRIMKDIDDC-NRFANRHFSA-N 437.433 5.301 30 10 IKEE CC(C)(C)OC(=O)NCC1(Nc2cc(Br)cc(F)c2C#N)CCCCC1 2107438388 KQCLRSFGKAATFS-UHFFFAOYSA-N 426.330 5.099 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCCC[C@]12CCNC2 2156247143 IGRLECVJHVFESM-RTWAWAEBSA-N 434.378 5.007 30 10 IKEE CCN[C@@H](C#Cc1cccc(OC)c1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2221918317 ANNFGOZCIZNTEL-XMMPIXPASA-N 436.596 5.242 30 10 IKEE CCCCCCC[C@@H](O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2229105028 FMGAFFNLTXEZOB-RBUKOAKNSA-N 428.411 5.606 30 10 IKEE C=CC[C@@H](C)[C@@H](NCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229117219 XCCZSTOMNVSQPN-AYOQOUSVSA-N 425.411 5.075 30 10 IKEE CCC[C@@]1(C(=O)C#Cc2ccccc2Br)CCCCN1C(=O)OC(C)(C)C 2235717895 BWJCYWZKDQMOLN-QFIPXVFZSA-N 434.374 5.330 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Cl)c(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)c1 2247838676 LQHLMARUULABHT-UHFFFAOYSA-N 436.745 5.252 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)CC1 2250516644 KHZPNRREQVYMRU-HSZRJFAPSA-N 449.617 5.559 30 10 IKEE C=CCCCC[C@@H](OCCC(=O)O)c1cc(Br)c(Br)s1 2291472871 GDBCONWOFHRQCK-LLVKDONJSA-N 426.170 5.552 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(=O)c4ccccc4Cl)ccc3C2=O)c1OC 2296868002 NHALFUIWFHBRER-UHFFFAOYSA-N 436.847 5.193 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(OCCOc3c(C)cccc3C)cc2)SC1=S 2297624649 XCCANBSIJRPKKG-UHFFFAOYSA-N 425.575 5.148 30 10 IKEE CC[C@@]1(C)C[C@@](CCN=Cc2ccc(OC)c(OC)c2)(c2ccccc2OC)CCO1 2297709306 HXQQXLYXXSIJSC-UIOOFZCWSA-N 425.569 5.439 30 10 IKEE COc1ccc(C=C2Oc3c(ccc4oc(-c5ccccc5)c(CC(=O)O)c34)C2=O)cc1 2297730981 WTAWIIKLLNSNJJ-UHFFFAOYSA-N 426.424 5.352 30 10 IKEE CN=C1SC(=Cc2cc(Cl)ccc2OCc2c(F)cccc2Cl)C(=O)N1C 2313466096 NOGLDMOKBGVJSZ-UHFFFAOYSA-N 425.312 5.243 30 10 IKEE O=C1C(=Cc2ccccn2)SC(=Nc2nc(-c3ccccc3)cs2)N1C1CCCCC1 2314543407 CPGUOSBUADTIEQ-UHFFFAOYSA-N 446.601 6.142 30 10 IKEE C=CCCCCC[S@](=N)(=O)c1cc(I)ccc1Br 2316471666 CPSSUUPVJXRJBR-SFHVURJKSA-N 442.160 5.206 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C2CC2)c1 2320867900 ROLRHEYCMJISMJ-UHFFFAOYSA-N 433.364 5.651 30 10 IKEE CCCCOc1ccc(C=Nn2c(CC)nnc2SCc2ccccc2F)cc1OC 2321004538 QBBVXOBFFJPARO-UHFFFAOYSA-N 442.560 5.342 30 10 IKEE CCSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1N=Cc1ccc(C)cc1 2321359372 RLXLZKWMMONYHO-UHFFFAOYSA-N 449.407 5.899 30 10 IKEE Cc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(Cc1cccc(Cl)c1)C3 2322214358 PPOOEGQUJOMTPC-UHFFFAOYSA-N 431.919 5.925 30 10 IKEE CCCCCOc1ccc(C=C(C(=O)Nc2c(C#N)cnn2C)c2ccccc2)cc1OC 2322224448 CDBVEXYMMCPSFB-UHFFFAOYSA-N 444.535 5.049 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1cccc([N+](=O)[O-])c1)C3=O)CN(Cc1ccc(F)cc1)CO2 2322348165 ULLVNQYZVMKJAJ-UHFFFAOYSA-N 446.434 5.011 30 10 IKEE C=C(C)COc1ccc(Br)cc1C=CC(=O)c1ccc(Cl)c(Cl)c1 2322580813 KHMLIVREHWGWJP-UHFFFAOYSA-N 426.137 6.607 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cc(Br)ccc2OCc2cccc(F)c2)c1 2322615710 NSCGYUASCYYGNV-UHFFFAOYSA-N 439.324 6.680 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1c(OCc2cccc(F)c2)ccc2ccccc12 2322641991 LNRUYUINOTZKMY-UHFFFAOYSA-N 426.487 6.771 30 10 IKEE Cc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(Cl)c(Cl)c2)C3=O)c1 2322884235 FZSSQJSSCMOADU-UHFFFAOYSA-N 439.294 6.446 30 10 IKEE Cc1ccc(C(=O)C=Cc2c(OCc3ccccc3Cl)ccc3ccccc23)cc1C 2322886602 DYNLGFRTEBRLEK-UHFFFAOYSA-N 426.943 7.585 30 10 IKEE CCN(CC)C(=O)COc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)ccc1OC 2323044128 WPHLDQHGRZJRBK-UHFFFAOYSA-N 443.543 5.506 30 10 IKEE COc1ccc(C=CC(=O)c2cccc3ccccc23)cc1OCC(=O)NC1CCCCC1 2323202183 OXHRQBZCEIVFRR-UHFFFAOYSA-N 443.543 5.572 30 10 IKEE Cc1c(OC(=O)C(c2ccccc2)c2ccccc2)ccc2c1OC(=Cc1ccncc1)C2=O 2323212621 MLLOZULLGSORQD-UHFFFAOYSA-N 447.490 5.744 30 10 IKEE Cc1c(OC(=O)Cc2cc(Cl)ccc2Cl)ccc2c1OC(=Cc1ccccn1)C2=O 2323409451 FGTCEGGQLSXZCB-UHFFFAOYSA-N 440.282 5.461 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OCC(=O)OCCC 2323435753 ZMSTZMKWHJPTPD-UHFFFAOYSA-N 448.559 5.531 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OC(=O)C=Cc3cccc([N+](=O)[O-])c3)c2C)C1=O 2323437786 ZDFXZHRWQVZPKD-UHFFFAOYSA-N 441.439 5.447 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)C=Cc1ccc(C(C)(C)C)cc1 2323458996 NMQXGMYNQVFTQH-MUUNZHRXSA-N 442.688 6.539 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(OC)cc3)cc2Cl)cc1 2323628485 QHRRKRSIITVIIO-UHFFFAOYSA-N 449.934 5.825 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)cc(Cl)c1OCc1ccc(F)cc1 2323635253 YWDSFIHCGILWSK-UHFFFAOYSA-N 440.898 6.362 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)Oc1ccc2c(c1)OC(=Cc1ccccc1)C2=O 2323666540 QPOQADMKXTZRTH-UHFFFAOYSA-N 441.266 5.837 30 10 IKEE CC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)c1 2323896502 NPOOLDASUYUHRD-UHFFFAOYSA-N 434.831 5.101 30 10 IKEE COc1c(Cl)cc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(C)cc3)n2)cc1Cl 2324800713 YGUGVOWFUPLPHP-INIZCTEOSA-N 443.355 6.324 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(C(C)(C)C)cc2)ccc2c1OC(=Cc1cccs1)C2=O 2325552543 NBHAMVJULIQSGQ-UHFFFAOYSA-N 447.556 5.988 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(-c4ccccc4)cc3)c2)cc1C 2325760426 NPMBVJDQSNFRCM-UHFFFAOYSA-N 432.519 7.086 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc4c(c3)OCO4)c2)cc1Cl 2325769640 NQOQJSOAVZUYQD-UHFFFAOYSA-N 436.847 5.193 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1c(O)ccc2ccccc12 2326306372 QWKZAAUVTJYUAW-UHFFFAOYSA-N 430.577 5.962 30 10 IKEE Clc1ccccc1CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccccn1 2329587114 FYZKTWWIGAKWLV-UHFFFAOYSA-N 440.359 5.821 30 10 IKEE CCCSc1nnc(Cc2ccc(F)cc2)n1N=Cc1ccc(Br)cc1 2329852953 GFABSOSMBTTXHS-UHFFFAOYSA-N 433.350 5.155 30 10 IKEE COc1cccc(C=Nn2c(COc3ccccc3)nnc2SCc2cccc(C)c2)c1 2329891657 CCHXXOBJKZYCPN-UHFFFAOYSA-N 444.560 5.349 30 10 IKEE COc1ccc(C=Nn2c(COc3ccccc3)nnc2SCc2ccccc2)cc1 2329918707 VKBFWHNLXBTUDM-UHFFFAOYSA-N 430.533 5.040 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2N=Cc2ccncc2)cc1 2330032856 UDSQFJQORIRDFL-UHFFFAOYSA-N 433.968 5.400 30 10 IKEE Cc1ccc(CSc2nnc(Cc3cccs3)n2N=Cc2ccccc2Cl)cc1 2330321543 ANNURZGACTXCLM-UHFFFAOYSA-N 439.009 6.067 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3C)c(Cl)c2)c1 2330781102 HERWWIPDEBPTEP-UHFFFAOYSA-N 434.919 6.091 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccccc3Cl)cc2Cl)cc1C 2330919392 LQNBWEFAKSASON-UHFFFAOYSA-N 425.311 6.726 30 10 IKEE C=C(C)CSc1nnc(C2CCCC2)n1N=Cc1ccc(OCCCC)c(OCC)c1 2331069039 KXNPFOQLDZBAKO-UHFFFAOYSA-N 442.629 6.064 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)c1c(F)cccc1Cl 2331236637 OZZVNUZCIIALKF-UHFFFAOYSA-N 438.882 6.220 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)[C@@H]1CCCO1 2331246647 IYQWJOXKKICFBT-FQEVSTJZSA-N 435.303 5.373 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3)cc2Br)cc1 2331273829 SBNYTXUGIUKMHH-UHFFFAOYSA-N 449.344 6.435 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)c1ccc(CC)cc1 2331327619 ZGGIZJQKJXDVPU-UHFFFAOYSA-N 428.528 6.380 30 10 IKEE CCCCOc1ccc(C=Nn2c(CC(C)C)nnc2SCc2ccccc2F)cc1 2331453879 VACRDQPKXANAKD-UHFFFAOYSA-N 440.588 5.969 30 10 IKEE CC(C)Cc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(C(C)C)cc1 2331474595 VDPBQWDBZLHZMJ-UHFFFAOYSA-N 445.007 6.567 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc(Br)c2)cc1)c1ccc(F)cc1 2331513008 VKFSYPWURSIWJT-UHFFFAOYSA-N 425.253 5.704 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CC3CCCCC3)c(OC)c2)cc1Cl 2331835054 DCHMSEMGDNAWRN-UHFFFAOYSA-N 442.939 6.129 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)c(OC)cc2C)ccc1OC(=O)c1cccc(C)c1 2331852606 SXQNIVXKNUHFKT-UHFFFAOYSA-N 444.527 6.134 30 10 IKEE C=CCN(C[C@@H](NCCC)c1cc(Cl)cc(Br)c1F)C(=O)OC(C)(C)C 2337093179 BIQJXVKBPCZTOT-MRXNPFEDSA-N 449.792 5.705 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1cnc(C(F)(F)F)o1 2367982602 IGNUEGCTKFIJJP-GFCCVEGCSA-N 446.223 5.462 30 10 IKEE COc1cc([C@@H]2Nc3c(ccc4ccccc34)C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O 2799779 MWABJNLAKLQDNP-QHCPKHFHSA-N 433.935 6.517 30 10 IKEE O=C(/C=C/c1ccccc1)c1ccc(-c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 8385413 CZUHWWTWBZXVCQ-RGVLZGJSSA-N 428.491 6.967 30 10 IKEE Nc1ccc(C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)c2ccc(-c3ccccc3)cc2)cc1 12367939 ABQFHLASRNQIKH-NLRVBDNBSA-N 448.478 5.993 30 10 IKEE CCCOc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(OC(C)C)cc1)C2 21233478 MKMZJFXKLQVVJP-SIKLNZKXSA-N 433.548 5.267 30 10 IKEE O=C(/C=C\c1cccc([N+](=O)[O-])c1)c1ccc2c(=O)n3c4ccccc4nc3c3cccc1c23 33634483 BEMKGTSYLVHLJP-KAMYIIQDSA-N 445.434 5.396 30 10 IKEE N#Cc1ccc(CSc2nnc(C3CCCCC3)n2-c2ccc(Cl)c(Cl)c2)cc1 35847422 MRUKUEJMPMLAHN-UHFFFAOYSA-N 443.403 6.786 30 10 IKEE C=CCC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C1CC1 36306444 AGPUBHZNHGVJCU-QHCPKHFHSA-N 431.580 5.479 30 10 IKEE C=CCOc1ccc(/C=C2\S/C(=N/c3nnc(C)s3)N(c3ccccc3)C2=O)cc1 39866452 SUBAOJJBPKJFKA-UVOXWLTBSA-N 434.546 5.220 30 10 IKEE CNC(=O)c1c(Nc2ccccc2C)sc2c(-c3ccc(Cl)cc3)c(C#N)c(N)nc12 39895257 ICVHVQWHMXOVFL-UHFFFAOYSA-N 447.951 5.482 30 10 IKEE O=C(CSc1nc2ccc(/N=C/c3ccc([N+](=O)[O-])cc3)cc2s1)Nc1ccccc1 59500269 LMZMYPLHFCRFAN-YDZHTSKRSA-N 448.529 5.686 30 10 IKEE Cc1ccc(NC(=O)CSc2nc3ccc(/N=C/c4ccccc4O)cc3s2)c(C)c1 59502579 GVFAGLKIUQSCRN-DHRITJCHSA-N 447.585 6.100 30 10 IKEE CCc1cc(CC)c(N/C(=N/OC(=O)c2ccccc2)c2cccc([N+](=O)[O-])c2)c(CC)c1 59505433 FHCXQYQVNQQHLL-UHFFFAOYSA-N 445.519 5.913 30 10 IKEE C=CCn1c(SCCC(=O)Nc2ccc(C)cc2C)nnc1-c1cccc(Cl)c1 59794815 FQHGKNIZJUCYGO-UHFFFAOYSA-N 426.973 5.522 30 10 IKEE CCCCCCn1c2ccccc2c2nnc(N/N=C/c3cc(OC)ccc3OC)nc21 64981332 LZCBIMHHFHWRCV-PCLIKHOPSA-N 432.528 5.023 30 10 IKEE CCn1c2ccccc2c2cc(/C=N/c3ccc(S(=O)(=O)N4CCCCC4)cc3)ccc21 100202611 PWWIJMRGHLBBST-ZXVVBBHZSA-N 445.588 5.740 30 10 IKEE CCCCCCCOc1cccc(NC(=O)c2ccccc2OCCOc2ccccc2)c1 100246331 IGJMFQPERDCGCT-UHFFFAOYSA-N 447.575 6.746 30 10 IKEE C=CCOc1ccc(NC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)cc1 100439812 BTRVPDKZZLDBOV-UHFFFAOYSA-N 427.331 6.483 30 10 IKEE O=C1/C(=C\c2ccc(Br)o2)S/C(=N/c2ccccn2)N1c1ccccc1 101087690 RNEINOZZKCYPIQ-DGEPWBBQSA-N 426.295 5.246 30 10 IKEE CCCCCCCCCn1c(CCCCCNC(=O)C2CCCCC2)nc2ccccc21 102164907 GHEKZIGDZYRCPK-UHFFFAOYSA-N 439.688 7.196 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccccc2OC)cc1 169943614 HKTRIUMTXBLDCK-VWLOTQADSA-N 441.527 5.657 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)C)cc2)[C@@H]1c1cccs1 169982781 JZHWTIDGYWLLQG-JOCHJYFZSA-N 433.529 5.663 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1cccs1 169986834 XSTFGXRMSHFSLC-OAQYLSRUSA-N 448.931 5.974 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@@H]2c2cccnc2)cc1 170003451 OWACSEDJONJWBG-HSZRJFAPSA-N 426.516 5.470 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2ccc(C)cc2)=C(N2C[C@@H](C)C[C@@H](C)C2)C1=O 170076947 SLXYVOBAKHXBHT-ZRZAMGCNSA-N 438.656 6.194 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2cccc(O)c2)ccc1F 170081112 WKBSOXXYCCTGPT-NRFANRHFSA-N 437.854 5.276 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(C(C)(C)C)cc1 170149826 NJEOORJCZVJTBI-OAQYLSRUSA-N 425.956 6.016 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@H]1c1ccc(C(C)(C)C)cc1 170150119 WLZMXGYZSVZXOB-XMMPIXPASA-N 449.591 6.104 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2cccs2)cc1 170160025 NXUMLYJBBCKBLG-JOCHJYFZSA-N 449.528 5.328 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1cccnc1)c1ccc(Cl)c(Cl)c1 170184150 OMDNRZLRTJBIBP-IBGZPJMESA-N 443.261 5.310 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccncc1 170198296 RSWYRMUUKYYVSY-JOCHJYFZSA-N 446.572 5.528 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1ccc(OCC)cc1 170214492 BJDFWEJDMZFDSX-OSPHWJPCSA-N 449.547 5.177 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(OCC)c1 170218416 JOXYYSUVUWNJOA-NRFANRHFSA-N 427.928 5.507 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1ccc(O)c(Cl)c1 170220276 QJZBDDBSSCWHPW-IBGZPJMESA-N 446.286 5.434 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccccc2)cc1C 170225307 KPVAQMCECKSITQ-BVZFJXPGSA-N 439.511 5.410 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@@H]1c1c[nH]c2ccccc12 170255590 CAKZLBBUSGPWAC-NRFANRHFSA-N 438.911 5.208 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccco2)ccc1OCC(C)C 170282430 RRVMMQDJEOIWPK-QHCPKHFHSA-N 449.478 5.545 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccco1 170292434 SEZSTXUHLCJCNF-JOCHJYFZSA-N 430.504 5.059 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)cc(C)c3OC)[C@@H]2c2ccc(C)o2)c1 170297666 HYQGNYHXJOUQTF-QFIPXVFZSA-N 447.487 5.005 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(C)o2)c1 170302056 HNRKDHNSKRXQEJ-HSZRJFAPSA-N 427.456 5.734 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccc(F)cc2F)o1 170305828 WSCRWRWHSWAGAY-NRFANRHFSA-N 435.382 5.395 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2sccc2C)cc1 170313964 PGJGPXMZCSEROV-HXUWFJFHSA-N 437.492 5.377 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 170346426 XSRUZLBEYNCURE-QFIPXVFZSA-N 426.472 5.232 30 10 IKEE Cc1[nH]c2ccccc2c1[C@@H]1C(C(=O)c2ccncc2)=C(O)C(=O)N1c1ccc(Cl)cc1 170404568 AYQZLGXXOPKJNR-JOCHJYFZSA-N 443.890 5.308 30 10 IKEE CC(C)Oc1ccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(C(C)C)cc2)cc1 170473158 RQLBXXFGGYQQNM-HSZRJFAPSA-N 435.564 6.112 30 10 IKEE C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccc2ccccc2c1 253569523 MKMHZYRWDGENAW-UHFFFAOYSA-N 448.979 5.977 30 10 IKEE O=C1[C@@H](Cc2ccc(Br)cc2)SC(=Nc2ccccc2)N1c1ccccc1 254287195 NUZCHUGEGNDZAV-HXUWFJFHSA-N 437.362 5.828 30 10 IKEE C(=NNc1nc2ccccc2s1)c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12 254302086 VVOVMYGIXOIJLO-UHFFFAOYSA-N 444.563 7.353 30 10 IKEE CCCN1C(=O)/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)SC1=Nc1ccccc1 254498813 GNSUQQQKHUNDIX-QGJBXVFPSA-N 432.501 5.659 30 10 IKEE CC(=NOCc1c(Cl)cccc1Cl)c1nnn(-c2cccc(Cl)c2Cl)c1C 254818839 QCYGFLDQBVLTDF-UHFFFAOYSA-N 444.149 6.130 30 10 IKEE N#Cc1cc(Br)ccc1CNc1ccc(I)cc1Cl 311545399 OKRBHUVEWGWDAE-UHFFFAOYSA-N 447.501 5.191 30 10 IKEE CCCCCCCCCC(=O)c1ccc(Br)cc1NC(=O)OC(C)(C)C 405748573 WADFZWWFPGEECE-UHFFFAOYSA-N 426.395 7.120 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(/C=C/C(=O)c2c(F)ccc(Br)c2F)cc1 405928966 RDUDWZXZHFPHAT-IZZDOVSWSA-N 438.268 5.970 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccc(OC)c2)c1 526515338 JTQAVELMUJGKOL-VWLOTQADSA-N 440.499 5.413 30 10 IKEE CC(C)COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccccn2)cc1 526517108 PXJDZLPFZOITPE-XMMPIXPASA-N 425.488 5.045 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccc(C(F)(F)F)cc1 526817397 KULONMNNYBEOMY-MRUKODCESA-N 442.869 5.826 30 10 IKEE CC1(C)Cc2cccc(OCC#CCNC(=O)C3(c4ccc(Cl)cc4)CCCC3)c2O1 585254406 PXBVMZPJGCTYSD-UHFFFAOYSA-N 437.967 5.064 30 10 IKEE CSc1cccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2cccc(Cl)c2)c1 586221691 AJKZAIBWTZCKRL-UHFFFAOYSA-N 428.966 5.329 30 10 IKEE CCc1ccc(N(C(=O)c2cccc(C#N)c2)S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 586293563 JOFFKNPEUNRVPH-UHFFFAOYSA-N 446.572 5.454 30 10 IKEE C[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(C(=O)Nc2scc(C(C)(C)C)c2C#N)c1 586639291 MCVKCDFCRFDKKL-QRWLVFNGSA-N 438.597 5.870 30 10 IKEE N#Cc1cccc(NC(=O)Nc2cccc(C(=O)Nc3ccc(N4CCCC4)cc3)c2)c1 586729468 OFCMLWUWXVLMES-UHFFFAOYSA-N 425.492 5.055 30 10 IKEE CC[C@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 616582015 IWNCBADONFSAAW-FNMZUEQYSA-N 428.701 7.204 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@H]2CCCCN2C(=O)OC(C)(C)C)cc1 698871840 WQKSSBYJLQMLAA-CJFMBICVSA-N 443.588 5.808 30 10 IKEE C=CCCCCC[C@H](NCCC)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 702455393 ARMDOKGXSZUHRB-BJKOFHAPSA-N 431.665 5.516 30 10 IKEE CCCCCCCCC[C@H](N)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 710537010 KFRZFULKYZZAJL-DEOSSOPVSA-N 445.692 6.014 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Cl)c1Br)NC 719520981 RGGMOCINEWXUDF-HZPDHXFCSA-N 431.802 5.093 30 10 IKEE CCc1ccc(N=C2S/C(=C/c3ccccc3O)C(=O)N2c2ccc(CC)cc2)cc1 1082936807 NHURAULZIVKKES-DNKROPNVSA-N 428.557 6.326 30 10 IKEE Cc1cc(N=Cc2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)cc([N+](=O)[O-])c1C 1084089749 BXDOJTWDECIVMM-UHFFFAOYSA-N 425.872 5.721 30 10 IKEE O=C1/C(=C/c2ccc(N3CCCC3)o2)S/C(=N/Cc2ccccc2)N1Cc1ccccc1 1084557438 SKLHHUMOFMMMLT-MGIMXWHHSA-N 443.572 5.553 30 10 IKEE CCOc1ccc(/C=C2\SC(=Nc3nc(C)cs3)N(C3CCCCC3)C2=O)cc1 1772737966 MVGQRKQWDYQVTC-GIFQUSADSA-N 427.595 5.787 30 10 IKEE C=CCOC(=O)c1sc(NC(=O)c2ccc3c(c2)nc(C)n3C2CCCCC2)nc1C 1859757270 IORZMYGZYRJRCE-UHFFFAOYSA-N 438.553 5.210 30 10 IKEE CCOC(=O)c1sc(NC(=O)c2ccc(-c3ccc(F)c(F)c3)nc2C)c(C#N)c1C 1859757927 RRJASNIFZFRGIV-UHFFFAOYSA-N 441.459 5.006 30 10 IKEE Cc1cc2c(cc1Cl)C(=O)CC1(CCN(c3nccc(-c4ccccc4)c3C#N)CC1)O2 1859821871 XPKRREUEJDROFD-UHFFFAOYSA-N 443.934 5.587 30 10 IKEE N#Cc1ccc(COc2cccc(NC(=O)c3ccc(OCc4ccccc4)cc3)c2)cc1 1860126395 OEMMRWBRAYEJBZ-UHFFFAOYSA-N 434.495 5.969 30 10 IKEE CCCOc1ccc(/C=C/C(=O)C(=O)N(Cc2ccccc2)c2ccccc2)cc1OC 1860637254 NEVUZIKPTQJEII-JQIJEIRASA-N 429.516 5.300 30 10 IKEE CCCCCCCCNC(=O)[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccccc1 1861099024 DHVVPDIEGUOVAN-UFIOJNINSA-N 426.988 5.687 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCOc2ccccc2)cc1 1862442892 VPZMNUXOGBHYHT-HSZRJFAPSA-N 447.918 5.306 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@H]1c1ccc(O)cc1)c1cccc(Cl)c1 1862443791 TVEGHNSGRCUUNL-QHCPKHFHSA-N 447.918 5.257 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1cccc(Cl)c1 1862464497 YYWQOVDUEFXGID-LJQANCHMSA-N 437.845 5.526 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2cccc(C)c2)cc1 1862475406 KWTQFXREVFXTLC-RUZDIDTESA-N 425.528 5.699 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccc(OCCC)cc2)cc1 1862520580 LKOZSUAGAUOQOB-HSZRJFAPSA-N 435.520 5.005 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1cccc(OC)c1 1862530484 QYZJZWABUHOMQF-RUZDIDTESA-N 449.591 6.196 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(N(CC)CC)cc1 1862553235 IGDXPBAZGNZHOM-VWLOTQADSA-N 444.575 5.176 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(N(C)C)cc1 1862558977 DYCFGNNFVVAVEN-URXFXBBRSA-N 449.595 5.272 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccc(Cl)cc2)cc1 1862590851 RJWCLXIPRUWQIL-QHCPKHFHSA-N 447.918 5.387 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(C(C)C)cc1 1862614564 DTVMDDKMEFKHEH-RUZDIDTESA-N 447.619 6.876 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1ccc(CC)cc1 1862637864 NXRZGBDMIHIWGP-JOCHJYFZSA-N 425.500 5.165 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2ccccc2F)cc1F 1862639385 XHNLAJGOXGSEJD-QHCPKHFHSA-N 449.453 5.060 30 10 IKEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862667854 LHCHDQUQWWZALB-FQEVSTJZSA-N 448.346 5.342 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2cccc(C)c2)cc1 1862686811 DDCPVGFIFRLSGI-VWLOTQADSA-N 441.527 5.399 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2cccc(O)c2)c1 1862713018 FVTZNYWUCWCCBJ-AREMUKBSSA-N 449.506 5.632 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccc2ccccc12 1862727540 HDXQVNCPDJADKB-AREMUKBSSA-N 433.507 6.105 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccc(Cl)c2)[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 1862736779 OFMVIKMRKMKWKY-NRFANRHFSA-N 448.862 5.027 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccc(C)cc2)=C(c2ccccc2OC)C1=O 1863765277 ROLIOOQAMUTQMY-UHFFFAOYSA-N 434.580 5.234 30 10 IKEE CCCCCCCCNC1=C(c2cccs2)C(=O)N([C@H](C)c2ccc(CC)cc2)C1=O 1863812753 GJIXPGFPVIFHKA-LJQANCHMSA-N 438.637 6.102 30 10 IKEE N#Cc1ccc(NC(=O)/C=C/c2ccc(OCc3ccccc3Cl)cc2)c([N+](=O)[O-])c1 1865902957 SKILYVSROKYAMM-XYOKQWHBSA-N 433.851 5.351 30 10 IKEE CC(C)(C)c1cc(C(=O)Nc2c(C#N)cnn2-c2ccccc2F)c2cc(F)ccc2n1 1866279953 JKYHQONCTDGGIV-UHFFFAOYSA-N 431.446 5.120 30 10 IKEE Cc1ccc(-c2nc(Nc3ccccc3C#N)cc(N3CCc4nc[nH]c4[C@@H]3C(C)C)n2)cc1 1868327677 ZJNGRRMYVLRJNO-SANMLTNESA-N 449.562 5.550 30 10 IKEE C=CCOc1cn(C[C@@H](c2ccccc2)N2CCCC2)c(CSC(C)(C)C)cc1=O 1870246318 XWGKNYYRGLDOHS-QFIPXVFZSA-N 426.626 5.282 30 10 IKEE CCCCCCCOc1cn(CCCN(C)C)c(CN(CCCC)CCCC)cc1=O 1870411961 TXPFSALFMRQIIC-UHFFFAOYSA-N 435.697 5.551 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2)c(=O)cc1CN1C[C@@H](C)O[C@H](C)C1 1870468048 MOSNCXVMBHSZOF-DHIUTWEWSA-N 440.628 5.397 30 10 IKEE C=CCOc1cn(Cc2ccccc2)c(CNc2ccc(Br)c(C)c2)cc1=O 1870810578 JBIJXHUHJDBMKG-UHFFFAOYSA-N 439.353 5.144 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OC(=O)/C(Cl)=C/c3ccccc3)cc(C)c2C1=O 1871377539 PSOXQDFUCJSLEL-OBUBVWICSA-N 446.886 5.805 30 10 IKEE CCCCN(CCCC)Cc1c(O)cc(C)c2c1O/C(=C\c1cn(C)c3ccccc13)C2=O 1871393526 RXEHUECLKGLMQQ-XYGWBWBKSA-N 446.591 6.211 30 10 IKEE Cc1cc(O)c(CN2CCCc3ccccc32)c2c1C(=O)/C(=C/c1ccc(Cl)cc1)O2 1871395447 RUEJLKFZYXEVFT-UCQKPKSFSA-N 431.919 5.923 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4cccc(C)c4C)ccc3C2=O)cc1 1871414378 UFIWFXDBSLJEIF-PKFJFBDISA-N 441.527 5.888 30 10 IKEE CCOc1ccccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1cccc(C)c1)C2=O 1871418531 YJFCTAPCILAEKP-IWIPYMOSSA-N 443.499 5.336 30 10 IKEE CCCCCOC(=O)COc1ccc2c(c1C)O/C(=C\c1cn(C)c3ccccc13)C2=O 1871427350 ZXXGUYLMWYWIBQ-UCQKPKSFSA-N 433.504 5.215 30 10 IKEE COc1ccc(C)cc1NC(=O)COc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 1871428675 NZSUYAWBOXJNBO-AJRXITOCSA-N 441.483 5.194 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc(OCc3cccc4ccccc34)c2C)C1=O 1871434982 XLXIWXVAJFLNLZ-PKAZHMFMSA-N 436.507 6.742 30 10 IKEE CCc1cccc(CC)c1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1C)C2=O 1871455286 KCICRDCNIDZHLM-MYYYXRDXSA-N 441.527 5.754 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O)Nc1ccc(F)cc1 1871456475 HEDGZIMCJYKKJS-NHDPSOOVSA-N 441.817 5.252 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1C 1871458571 CQCMYTULTLOKSH-FMCGGJTJSA-N 431.463 5.385 30 10 IKEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 1871830862 ZJIGGGIDFHQKQZ-DEOSSOPVSA-N 442.625 5.349 30 10 IKEE Cc1cc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc(C)c1Cl 1872766064 CCWHUSQLISZSEO-QGZVFWFLSA-N 431.344 5.989 30 10 IKEE COc1ccc(C)cc1-c1csc([C@@H](C#N)C(=O)c2c(Cl)ccc(Cl)c2OC)n1 1872770962 IYCCGQDUXZYALK-ZDUSSCGKSA-N 447.343 5.933 30 10 IKEE CCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1 1872779984 WTYRHMZBQOQYSE-OAQYLSRUSA-N 434.561 6.139 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@H](C#N)C(=O)COc2c(C)ccc(C)c2C)n1 1872781323 SKLCJSVBDVFQDJ-HXUWFJFHSA-N 434.561 5.616 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2OC(C)C)=C(c2cccc(Cl)c2Cl)C1=O 1873341929 VDJSRKLOTPZXTE-UHFFFAOYSA-N 431.319 5.159 30 10 IKEE COc1cc(/C=N/Nc2nc(C)cc(C)n2)ccc1OCc1ccc(Cl)cc1Cl 1873497370 SYUQWZSEPIDRLQ-BHGWPJFGSA-N 431.323 5.434 30 10 IKEE CCCCCCCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C[C@@H]2CCCO2)C12CCCC2 1873885992 CBFQTCCUOHMYPC-URXFXBBRSA-N 440.628 5.195 30 10 IKEE CCCCCCCCCCNC(=O)Cc1csc(-c2cccc(Cl)c2Cl)n1 1873935505 SWFWLKPBMZDOOC-UHFFFAOYSA-N 427.441 6.916 30 10 IKEE COc1cccc(/C=N/n2c(Cc3ccccc3F)nnc2SCc2ccc(C)cc2)c1 1874373260 KOOLJORWRCWGEQ-JVWAILMASA-N 446.551 5.500 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C/c2cccc(O)c2)cc1 1874396621 MEQXJPYCCYGHPO-YZSQISJMSA-N 428.561 5.252 30 10 IKEE CCSc1nnc(CC2CCCCC2)n1/N=C/c1ccc(OCc2ccccc2C)cc1 1874407075 DBMJPWFRHLQVNR-OVVQPSECSA-N 448.636 6.283 30 10 IKEE Cc1ccccc1CSc1nnc(-c2cccs2)n1/N=C/c1ccccc1C(=O)O 1874420737 BIOIIYXCPWHSGL-YDZHTSKRSA-N 434.546 5.188 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3cccc(C)c3)nnc2[C@H]2CCCO2)c1 1874448364 ZWRCIRNWANBGJC-NJRDNMGOSA-N 436.581 5.401 30 10 IKEE Fc1ccccc1/C=N/n1c(SCc2cccc3ccccc23)nnc1C1CCCC1 1874456684 ZQNGVYHAFXKSJB-JVWAILMASA-N 430.552 6.403 30 10 IKEE O=[N+]([O-])c1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CCCC2)cc1 1874457608 XPSYKDSQSGLRLI-YDZHTSKRSA-N 441.944 5.672 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(N(CC)CC)cc1 1874478206 UKIJHJPLDLKLER-YZSQISJMSA-N 439.604 5.781 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874485897 RNCHJYVFUNWAAX-WSDLNYQXSA-N 429.933 5.312 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CCC2)cc1 1874497774 ZPKOAVYFKKLPGK-WYMPLXKRSA-N 431.392 6.335 30 10 IKEE CCCOc1ccccc1/C=N/n1c(COC)nnc1SCc1ccccc1Cl 1874502287 ZXABXUUKSPWXAI-YDZHTSKRSA-N 430.961 5.041 30 10 IKEE CCCCOc1ccc(/C=N/n2c(C)nnc2SCc2ccc(Cl)c(Cl)c2)cc1 1874535804 XCQCAXYNDQLTGF-ZMOGYAJESA-N 449.407 6.247 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCc3cccc(Cl)c3)ccc3ccccc23)cc1C 1874573987 OTQOGDTZJWUEHR-OUKQBFOZSA-N 442.942 7.285 30 10 IKEE CCOc1c(/C=C/C(=O)c2ccc(Br)cc2)cc(Br)cc1OC 1874574544 RYEHXWCVNCESNA-RMKNXTFCSA-N 440.131 5.515 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(C)cc2C)c1OCc1cc(C)ccc1C 1874578784 GTLYWWRMWTXSAB-PKNBQFBNSA-N 434.963 7.057 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C)cc2C)c1OCC(=O)Nc1ccc(C)cc1 1874579023 SJVLTUWZWONXES-RVDMUPIBSA-N 429.516 5.534 30 10 IKEE COC(=O)c1ccc(COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(F)c(C)c2)o1 1874581287 FZDYDDDQZJNRHS-XBXARRHUSA-N 428.843 5.642 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OCC(=O)NC1CCCCC1 1874595519 PHYYYEQMAMAVOR-NTUHNPAUSA-N 427.928 5.072 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cccc(OCc3ccccc3Cl)c2)c1 1874599385 KJOBLAXRDOPNBD-WYMLVPIESA-N 436.935 6.613 30 10 IKEE CCOc1c(Br)cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1OC 1874606352 JOSRZJHSGXTZKO-QPJJXVBHSA-N 430.125 6.059 30 10 IKEE Cc1cccc(COc2ccc(/C=C/C(=O)c3ccc(F)cc3F)cc2Br)c1 1874611402 HUSYTWFFWNRQCC-WEVVVXLNSA-N 443.287 6.511 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1)Nc1ccc(F)cc1 1874623764 TXVAXIQMTFHAMZ-LICLKQGHSA-N 425.459 5.893 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3ccccc3C)c(OC)c2)c(C)c1C 1874626371 BBXULVXJRWDAQU-ACCUITESSA-N 446.543 6.113 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3cccc4ccccc34)cc2)c2ccccc12 1874638111 JBAIRQKWYUMVQS-XDJHFCHBSA-N 444.530 7.477 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1OC(=O)c1ccccn1 1874694984 FPCMFSRIHUNBLH-WEVVVXLNSA-N 428.271 5.512 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cccc(OC(=O)c2cc(Cl)ccc2Cl)c1 1874698776 NMANKAWOQUNNRM-FMIVXFBMSA-N 427.283 6.117 30 10 IKEE COc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3cc(C)cc(C)c3OC)c2)cc1OC 1874713100 GOFIQEPNFFLGNY-PKNBQFBNSA-N 446.499 5.445 30 10 IKEE COc1ccc(CC(=O)Oc2cc(/C=C/C(=O)c3c(C)cc(C)cc3C)ccc2OC)cc1 1874716601 ZXXFYHSOSNKTIW-XYOKQWHBSA-N 444.527 5.673 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OC(=O)C1CCCC1 1875098122 TWRSVAZSQXQXEX-DTQAZKPQSA-N 444.571 6.294 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(Cl)c1OC(=O)c1ccccc1 1875102347 QUOJAPLZEYHZIA-OUKQBFOZSA-N 436.891 5.863 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(F)c(F)c1 1875121738 FDWGJWNVRQPASH-UXBLZVDNSA-N 442.845 6.132 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])c(Cl)c1)c1ccc(Cl)cc1 1875125780 ACNAVNBVNSPLPI-VZUCSPMQSA-N 442.254 6.017 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2Cl)c(C)c1 1875131784 NZCDXFBHYCIEMY-JXMROGBWSA-N 448.946 6.454 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2OCC)c1 1875133883 KPSYWIGDXCVVOE-SDNWHVSQSA-N 444.527 6.216 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)ccc1OC(=O)c1cccs1 1875152603 XMQHTSNRQXERPM-RMKNXTFCSA-N 426.465 5.410 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)c1ccc(C)cc1 1875160434 QDOQKIQXCHQQRK-BJMVGYQFSA-N 442.845 6.051 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OC 1875163581 RSDYELXHLOXBSS-YRNVUSSQSA-N 438.426 5.026 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cccs3)c(Cl)c2)c(OC)c1 1875178363 GIMPWRYIQFKTSR-WEVVVXLNSA-N 442.920 5.463 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(F)c(Br)cc1F 1894881744 PUWWUHQFIWFIMD-IAGOWNOFSA-N 433.337 5.237 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21)NCC 1922116427 QEYOPIMCWZCEBP-LADGPHEKSA-N 436.596 5.667 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1cccc(F)c1I 1922123490 AMSKLSFTZPGUCN-FQEVSTJZSA-N 439.312 5.244 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)[C@H]2CCC[C@H]21 1926546941 WDMFEEUIYKQVLW-GXYVPTEVSA-N 445.535 5.249 30 10 IKEE C=C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)(c1ccccc1)[C@H](F)C(=O)O 1927461567 GSABZIWZUIEFJU-ZEQKJWHPSA-N 431.463 5.029 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1945525520 PDXIKFMDCUSYFJ-RLLQIKCJSA-N 429.561 5.274 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)CC12CC2 1949372599 JIYHTGHVXWRXSF-XMMPIXPASA-N 433.593 5.382 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@](C#N)(N(Cc1ccccc1)C(=O)OC(C)(C)C)C2 1953243387 HEWXALKNIAYGKH-NXKWYNOOSA-N 441.572 5.248 30 10 IKEE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)C1=CC[C@@H](C(C)(C)C)CC1 2010744444 RJJVUIHYRSPAHT-BWAGFHJFSA-N 429.601 5.827 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C1(C)C 2013406532 KEXVWINKHFONTL-GAJHUEQPSA-N 433.524 5.153 30 10 IKEE CC(C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCN(C(=O)OC(C)(C)C)C12CCCCC2 2024622966 ALNGCRIIEIYSCP-XMMPIXPASA-N 435.609 5.628 30 10 IKEE CC(C)[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)CN1Cc1ccccc1 2029763904 NRYBVURUDWNVHV-OZXSUGGESA-N 437.559 5.760 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)CCC1(C)C 2038519293 LKBNOURJYQDWAN-VWLOTQADSA-N 449.636 6.018 30 10 IKEE CCc1ccc([C@@H](C(C)C)n2nc(C(F)F)c(/C=N/O)c2I)cc1 2078981320 LTHYIWRPZPIMKI-MNPVBQOISA-N 447.267 5.041 30 10 IKEE N#Cc1c(C2CC2)nn([C@H](c2ccc(C3CC3)cc2)C2CCC2)c1I 2079023709 WAJVTJCEVIIECE-FQEVSTJZSA-N 443.332 5.504 30 10 IKEE CCCOc1ccc([C@@H](n2nc(C3CC3)c(C=NO)c2Br)C2(C)CC2)cc1 2080059974 DKTSDMZKYXDCLX-LJQANCHMSA-N 432.362 5.509 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)[C@H]1C[C@H]1C1CCCCC1 2200283084 RZOKDHOWNOZAFX-SLFFLAALSA-N 433.390 6.299 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(C)c(Br)cc1C 2201072357 ITWNNXOFYLVLTB-PMACEKPBSA-N 439.438 5.966 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)C1(NC(=O)OC(C)(C)C)CCCCC1 2235731097 WKLHUZQFPLXAML-LJQANCHMSA-N 435.406 5.006 30 10 IKEE CCCN[C@H](C#CC1CCCC1)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2251412635 YYMQPJCDYFYMTG-RPWUZVMVSA-N 428.617 5.048 30 10 IKEE C=CC1(C[C@@H](NCCC)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)CCC1 2256737475 AEXFDNRRPAIVLG-HSZRJFAPSA-N 442.644 5.555 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCC[C@@]1(C)CNC(=O)OC(C)(C)C 2258853781 FOIGHBGHBRSJQH-LOSJGSFVSA-N 443.588 5.714 30 10 IKEE C=CCCC1([C@H](O)c2ccc(Cl)c(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2266235891 ORVYAAFSNMIUTM-MRXNPFEDSA-N 448.760 5.478 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@@H](N)C#Cc2cccc(Br)c2)cc1Cl 2278725399 MPWCQMSEBHRPOB-KRWDZBQOSA-N 435.749 5.501 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)CC 2296020364 PITCJIJAZROPBH-FFZOFVMBSA-N 437.422 5.108 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(O)c3CN3CCC(C)CC3)C2=O)c2cc(OC)ccc21 2296588956 CMBHOEYVCJCPAT-UHFFFAOYSA-N 446.547 5.224 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(OCc2ccccc2)cc1 2314452861 RBPILMVPFYANTG-LOSJGSFVSA-N 436.596 5.613 30 10 IKEE O=C1C(=Cc2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccccc2)Oc2ccc(Cl)cc21 2314519637 WGBNOEPXYCCZBZ-UHFFFAOYSA-N 443.846 5.717 30 10 IKEE Cc1ccc(CN2COc3ccc4c(c3C2)OC(=Cc2ccccc2OC(F)F)C4=O)cc1 2321958700 LBVXYUCSAIOJDK-UHFFFAOYSA-N 449.453 5.565 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc4c3CN(CCCCc3ccccc3)CO4)C2=O)cc1 2322252127 QAWSFUPVOXWSIM-UHFFFAOYSA-N 439.555 6.040 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccco1)C3=O)CN(Cc1ccc(OC(C)(C)C)cc1)CO2 2322277049 VWLOCNJOVCDZAL-UHFFFAOYSA-N 445.515 5.734 30 10 IKEE COc1ccc(CN2COc3c(cc4c(c3C)OC(=Cc3sccc3C)C4=O)C2)cc1 2322305384 JSAHMJNYYRGOFZ-UHFFFAOYSA-N 433.529 5.342 30 10 IKEE CCCCC[C@@H](CC)N1COc2c(cc3c(c2C)OC(=Cc2cccc(Cl)c2)C3=O)C1 2322356857 YHQVFWOLBZXWJQ-OAQYLSRUSA-N 439.983 6.775 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Cl)cc(OC)c1OCc1ccccc1Cl 2322481652 BTNPEOATFMDKPT-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE CC(C)COC(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc(C(C)(C)C)cc1 2322687465 GEMUPTOJWKUJFF-UHFFFAOYSA-N 428.956 6.112 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2ccc(C)cc2)cc1F 2322711958 GSBYCFRCXIWVAI-UHFFFAOYSA-N 449.478 5.065 30 10 IKEE O=C(COc1ccccc1)Oc1ccc2c(c1)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2322945350 XFQKETJSBYMFIY-UHFFFAOYSA-N 448.474 5.954 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3ccc(C)cc3C)c2)cc1 2323076348 VKEPSFQSCQROSI-UHFFFAOYSA-N 441.571 6.560 30 10 IKEE O=C1C(=Cc2ccccc2Cl)Oc2cc(OC(=O)c3ccc(F)c(F)c3F)ccc21 2323126621 WZVBDFUQQSJTBD-UHFFFAOYSA-N 430.765 5.593 30 10 IKEE COc1ccc(C=CC(=O)c2cccc3ccccc23)cc1OCc1ccc(Cl)cc1 2323202075 AOBMKHAZGSITHL-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE Cc1cc(OC(=O)c2cccc([N+](=O)[O-])c2C)cc2c1C(=O)C(=Cc1cccc(F)c1)O2 2323260718 UGBVOMQUSJEEHK-UHFFFAOYSA-N 433.391 5.186 30 10 IKEE CCOC(=O)c1ccc(COc2cccc(C=CC(=O)c3ccc(OC)c(Cl)c3)c2)o1 2323310206 BYFSAPFPTLEFRJ-UHFFFAOYSA-N 440.879 5.593 30 10 IKEE CCCCCCCOc1ccccc1C=NNS(=O)(=O)c1cc(Cl)ccc1OC 2323395845 QASZIJNWRRXVNV-UHFFFAOYSA-N 438.977 5.010 30 10 IKEE CCOc1cc(C=NS(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1 2323441795 OOIFXMAILMSLNE-UHFFFAOYSA-N 429.925 5.126 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OCc3cccc(C)c3)c(Br)c2)c1 2323489734 CRKODCXYFBLMGA-UHFFFAOYSA-N 437.333 6.241 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)cc1C 2323559686 DECMJIMUPRPESV-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)c4cc5ccccc5oc4=O)c3C)C2=O)cc1 2323570796 UYHAGFFRUPEBII-UHFFFAOYSA-N 438.435 5.245 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccccc1 2323809283 UQLVNJGBNGIHAA-UHFFFAOYSA-N 438.277 5.832 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(OC)c(OCc3cc(C)ccc3C)c(OC)c2)cc1 2323831292 RBODKKMPTPWFKX-UHFFFAOYSA-N 446.543 6.194 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccco1)C2=O)c1ccc(OCc2ccccc2)cc1 2323839938 QNDGMCAPKNPOLO-UHFFFAOYSA-N 438.435 5.694 30 10 IKEE CCCCCCCCCOc1ccc(C=NNc2nc(C)c(C(C)=O)s2)cc1OCC 2323840601 XFZOCACQEYZMQS-UHFFFAOYSA-N 445.629 6.628 30 10 IKEE CC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)c1 2323896845 GAMUBQCLKNAMSY-UHFFFAOYSA-N 448.858 5.409 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OCc1c(F)cccc1Cl 2324175855 FZGSFPUYJDOASV-UHFFFAOYSA-N 449.280 6.755 30 10 IKEE N#C[C@H](C(=O)C=Cc1cccc(Cl)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2324394990 GTICFWJADVRLLM-MRXNPFEDSA-N 433.747 6.660 30 10 IKEE N#C[C@@H](C(=O)C=Cc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2324534962 UBJQHVCIXCQCTP-HNNXBMFYSA-N 444.299 5.915 30 10 IKEE Cc1ccc(NC(=O)CCOc2ccc3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1 2325224595 QPSWIGCMXQMBOV-UHFFFAOYSA-N 441.527 6.142 30 10 IKEE CCOC(=O)c1ccc(COc2ccc3c(c2)OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)o1 2325396923 YCUPRXUSAVAXCG-UHFFFAOYSA-N 446.499 5.949 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2N=Cc2cccc(F)c2)cc1 2325435387 GLVRRAKKHDQHCJ-UHFFFAOYSA-N 430.552 5.685 30 10 IKEE COc1cc(C=Nn2cnnc2SCc2c(Cl)cccc2Cl)cc(Cl)c1O 2325659404 OMOQRPVLTWVBQV-UHFFFAOYSA-N 443.743 5.127 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1OC(=O)c1cccc(F)c1 2325701183 LMYMVTROIQVMIL-UHFFFAOYSA-N 430.475 5.828 30 10 IKEE COc1cccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4Cl)cc(C)c3C2=O)c1 2325718031 PFUFASSPXQVAGQ-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE COc1cc(C=CC(=O)C(=O)OCCCc2ccccc2)ccc1OCc1ccccc1 2325725329 LDWUWTIBTSSTNQ-UHFFFAOYSA-N 430.500 5.033 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCC(=O)Nc4cccc(C)c4C)cc(C)c3C2=O)c1 2325738127 VXVBOQVDKMOBHK-UHFFFAOYSA-N 427.500 5.554 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OC(=O)CCCOc1ccccc1 2325739902 IXXBMQUFRVSJEA-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(-n4cccc4)cc3)c2)cc1F 2325748619 ILSAPOUSMQGGEQ-UHFFFAOYSA-N 441.458 5.740 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccccc3Cl)c2)cc1Cl 2325768220 LYXBGVUXBLLBSQ-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1cccc(F)c1 2326083954 MLBFTKWDHWNYSG-UHFFFAOYSA-N 432.952 5.467 30 10 IKEE CC(C)(C)c1ccc(CSc2nncn2N=Cc2cc(Br)ccc2O)cc1 2326315225 KCBASYXCQKIBDW-UHFFFAOYSA-N 445.386 5.218 30 10 IKEE Cc1ccc(OCCCc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccc[nH]2)cc1 2327154031 PAZFXDGACFHTRE-UHFFFAOYSA-N 449.555 5.240 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccc(C)cc3)n2N=Cc2ccc[nH]2)CC1 2328106972 FSSMMIWKLDKTHE-UHFFFAOYSA-N 435.641 6.553 30 10 IKEE C=CCSc1nnc(CCc2ccccc2OC)n1N=Cc1cccc2ccccc12 2328699685 QJGDPWXSARLPLP-UHFFFAOYSA-N 428.561 5.385 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3F)n2N=Cc2cccn2C)cc1C 2328793451 CJGQSJBFYKKNAT-UHFFFAOYSA-N 449.555 5.126 30 10 IKEE CCCSc1nnc(CCOc2ccccc2)n1N=Cc1ccc(C(F)(F)F)cc1 2329207644 GTTASMUQQCRUJB-UHFFFAOYSA-N 434.487 5.303 30 10 IKEE C=C(C)CSc1nnc(COCc2ccccc2)n1N=Cc1c(Cl)cccc1Cl 2329339576 FKUZUDDTQFCRGY-UHFFFAOYSA-N 447.391 5.852 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2ccccc2O)cc1C 2329422029 LACRGZSEGXAKHX-UHFFFAOYSA-N 428.561 5.366 30 10 IKEE Cc1ccc(C=Nn2c(CCc3cccs3)nnc2SCc2ccccc2F)cc1 2329665444 CLWRNRMLRMMSET-UHFFFAOYSA-N 436.581 5.747 30 10 IKEE COc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCc2cc(C)ccc2C)cc1 2330272533 GHNMBWVREKPSPQ-UHFFFAOYSA-N 448.636 6.201 30 10 IKEE CN(C)c1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2cccc(F)c2)cc1 2330470954 OHADYQMUMOCKKO-UHFFFAOYSA-N 445.567 5.249 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(F)c3)c([N+](=O)[O-])c2)cc1 2330833679 HWTBOCKMKDMEQY-UHFFFAOYSA-N 447.462 6.192 30 10 IKEE CCSc1nnc([C@@H]2CCCO2)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2330944320 LHYQTNUFPKALDW-FQEVSTJZSA-N 442.972 5.356 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cc(Cl)ccc3Cl)cc2)cc1 2330952022 OZCVNWFJEOIFBE-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(OC)cc2)cc1OCC 2330974098 YPXJWFYZKZCEPD-UHFFFAOYSA-N 444.955 6.519 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)[C@H](C)Oc2ccc(C(C)C)cc2)cc1 2331051380 GZNTXFGJUVYPLF-FQEVSTJZSA-N 444.527 6.088 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)CC1CCCCC1 2331118869 CCFAJYSBIRLMCF-UHFFFAOYSA-N 442.939 6.129 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OCC)cc2)cc(OC)c1OC(=O)c1ccco1 2331210470 HLSSMYFKORAIND-UHFFFAOYSA-N 432.472 5.531 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cc(Cl)ccc3Cl)cc2)cc1 2331259475 JTXPCTRNQWPYCQ-UHFFFAOYSA-N 425.311 6.346 30 10 IKEE COCCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccccc1OC(C)C 2331282386 NQWQOQFWRTYRFB-UHFFFAOYSA-N 444.988 5.082 30 10 IKEE CC(C)(C)c1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccccc1O 2331400796 VZEMXUPXPQPEOI-UHFFFAOYSA-N 435.380 5.763 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1OCC 2331480727 ITBLRNIZTTZEDE-UHFFFAOYSA-N 430.544 7.010 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2cccc(C)c2)cc1 2331494247 NUNZTCAZSUOUMG-UHFFFAOYSA-N 433.581 5.029 30 10 IKEE Oc1cccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CCC2)c1 2331541845 FNWXWDVCWHQORN-UHFFFAOYSA-N 433.364 5.733 30 10 IKEE C=C(C)CSc1nnc(CCC)n1N=Cc1ccccc1OCc1ccccc1Cl 2331649418 KZAXVJCXZVRDAV-UHFFFAOYSA-N 441.000 6.013 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)CSc1ccccc1 2331711721 ZZKWFBZGBADKPY-UHFFFAOYSA-N 446.568 6.296 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1OC 2331802558 UTFRQSVKGAOSJK-UHFFFAOYSA-N 436.592 7.073 30 10 IKEE CC1(C)OB(c2cnc(SC[C@H]3CC[C@H](C)CC3)c(Br)c2)OC1(C)C 2335348275 GEFAAKCTBKGWJZ-HDJSIYSDSA-N 426.229 5.062 30 10 IKEE CC1(C)OB(c2cc(Cl)cnc2Nc2cccc(Cl)c2Br)OC1(C)C 2339391332 TVVZRDSIBGYZFJ-UHFFFAOYSA-N 443.965 5.194 30 10 IKEE CCCN[C@@H](C#C[C@@H]1CC1(C)C)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2365095386 FJXYZUAAXMVWCQ-AEFFLSMTSA-N 435.406 5.886 30 10 IKEE Cc1ccc(SCc2ccc(B3OC(C)(C)C(C)(C)O3)c(Br)c2)c(C)c1 2377319567 XKHSSBHERGDUET-UHFFFAOYSA-N 433.220 5.657 30 10 IKEE C=C(C)COc1ccc(NC(=O)c2cc(Br)ccc2OCCCCCC)cc1 9813747 IQPDFVDCIKSIFL-UHFFFAOYSA-N 446.385 6.615 30 10 IKEE O=C1CCCC2=C1[C@@H](c1ccccc1F)n1nc(SCc3ccc(Cl)cc3)nc1N2 9856569 RMZBRMGTRPFGKU-HXUWFJFHSA-N 440.931 5.385 30 10 IKEE C(=C/c1ccccc1)\C=N\[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1 15770719 HFEIBOSNUZQEHY-UFGUUIBRSA-N 437.566 7.522 30 10 IKEE CCOc1ccccc1[C@@H]1C2=C(C[C@H](c3ccc(OC)cc3)CC2=O)Nc2onc(C)c21 28052424 YMVQRNONNZPEBD-XDHUDOTRSA-N 430.504 5.349 30 10 IKEE CCn1nc(C)c(CN/C(=N/C(=O)c2cccc(C)c2)Nc2ccc(F)c(Cl)c2)c1C 32971909 KJRKCSWBBYZYGF-UHFFFAOYSA-N 441.938 5.019 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc3C2=O)cc1 33368869 JFYPJUOPKOVRNV-XYGWBWBKSA-N 426.512 6.382 30 10 IKEE CCOc1ccc(/C=C/C(=O)c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 34954115 QUFNKUUGFZFPIE-UFWORHAWSA-N 428.528 6.498 30 10 IKEE C=CCOc1cccc([C@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2CCCC)c1 38705558 MTSQXRORRGMVCS-VWLOTQADSA-N 431.536 5.309 30 10 IKEE C=CCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@H]1c1ccc(Cl)c(Cl)c1 39913380 GDXDEEMOAWXHGP-GOSISDBHSA-N 434.706 5.793 30 10 IKEE C=CCc1ccccc1OCCCCn1c(CNC(=O)C(CC)CC)nc2ccccc21 40275202 YYVUYYFFYWQORR-UHFFFAOYSA-N 433.596 5.676 30 10 IKEE Cc1c(C(=O)Nc2ccc(C(C)C)cc2)oc2c1/C(=N/Nc1ccc([N+](=O)[O-])cc1)CCC2 40814719 XYJVSSCJCOCDEQ-SGWCAAJKSA-N 446.507 6.024 30 10 IKEE Cc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)cc1 41284406 DBCSKKYQPFUWGV-IWIPYMOSSA-N 426.512 6.436 30 10 IKEE COc1ccccc1CN1COc2cc(C)c3c(c2C1)O/C(=C\c1sccc1C)C3=O 41650075 SOJVIGXLHOXIOM-NHDPSOOVSA-N 433.529 5.342 30 10 IKEE CN(C)c1ccc([C@H]2C[C@]3(C)[C@H](CC[C@@]3(O)CCCO)[C@H]3CCC4=CC(=O)CCC4=C23)cc1 58618168 IEXUMDBQLIVNHZ-LCIPZFHYSA-N 449.635 5.156 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc(Cl)cc3)n2)cc1 59015261 IPPFBICZBDZRRT-XMTZNVEYSA-N 442.976 5.148 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(F)cc4)cc(C)c3C2=O)cc1 62883611 HHMOBWBJMHIKLC-IWIPYMOSSA-N 445.490 5.816 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3C)cc2)cc1 100380337 FZLQLARRHDUQNU-UHFFFAOYSA-N 444.575 6.849 30 10 IKEE CCCCCCCCCCCCCCCCCCCCCC(=O)Nc1cccc(C)c1C 100462009 IXFRYFSAGAACQQ-UHFFFAOYSA-N 443.760 10.064 30 10 IKEE CCCCCCCCCCCCn1c([C@@H]2CC(=O)N(c3ccccc3)C2)nc2ccccc21 102198826 CQGARHUUYAUFDJ-XMMPIXPASA-N 445.651 7.478 30 10 IKEE CCCCCCCCCCn1c([C@@H]2CC(=O)N(CCc3ccccc3)C2)nc2ccccc21 102214713 IOXJGMFIUPHMEF-RUZDIDTESA-N 445.651 6.736 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(F)cc2)=C(O)C(=O)N1c1cc(C)ccc1C 169943718 NTTPOLFUDNMHCM-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(O)c(Cl)c1)c1cccc(Cl)c1 170042121 WRUCZOBWHXDVQJ-FQEVSTJZSA-N 446.330 5.610 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@H]1c1ccccc1 170052092 PJPPNSOSQNJTSM-HSZRJFAPSA-N 445.902 5.366 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccc(C)c2)ccc1Cl 170141933 IHNNRCHOXPQKEY-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(OC(C)C)cc1 170152432 WAALZPZIFOPGPI-HSZRJFAPSA-N 437.536 5.249 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@@H]2c2ccncc2)c1 170200898 VCBJKWOYCOVVEJ-DEOSSOPVSA-N 442.515 5.269 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC(C)C)cc3)[C@@H]2c2ccccc2)c1 170224077 GDVANAZUBUMKMO-VWLOTQADSA-N 441.527 5.813 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2OC)[C@@H]1c1ccc(Cl)cc1 170236663 XLGXBDGLMPJLMY-NRFANRHFSA-N 443.927 5.126 30 10 IKEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)cc4)[C@H]3c3ccc(F)cc3)ccc2O1 170238702 CZWQBLLAFWCZQG-FATZIPQQSA-N 447.437 5.071 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@@H]1c1ccccc1F 170253319 CCFRWEVQVYFQRQ-QFIPXVFZSA-N 425.500 5.301 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1cccc(O)c1)c1ccc2c(c1)CCCC2 170259161 DJNPKUORXFCPRB-DEOSSOPVSA-N 425.484 5.054 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1cn(C)c2ccccc12 170269111 FRPWOOLGBJKXJC-QHCPKHFHSA-N 427.504 5.038 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccco2)cc1C 170285110 JXGXJHWEPLVDJN-QMHKHESXSA-N 429.472 5.003 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2cccc3ccccc23)c1 170369317 ACCYOZRELUQHGV-XMMPIXPASA-N 436.467 5.026 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(OC(F)(F)F)c2)[C@@H]1c1ccccc1)c1cccs1 170370745 NHYPPDNTNARRIL-GOSISDBHSA-N 445.418 5.430 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2cccc(C)c2)cc1OCC 170459476 UBTUIYOZDLPNCP-QHCPKHFHSA-N 447.487 5.168 30 10 IKEE Cc1cc(C)c(C)c(OCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c1 170494075 YPHSSLORXJKCMP-UHFFFAOYSA-N 436.511 6.428 30 10 IKEE N#Cc1c(NC(=O)COc2ccccc2[N+](=O)[O-])oc(-c2ccccc2)c1-c1ccccc1 170494077 OVPDLKFBDDTFSR-UHFFFAOYSA-N 439.427 5.411 30 10 IKEE CCCOc1c(Cl)cc(/C=C\C(=O)Nc2cccc(OCCCC#N)c2)cc1OC 207278258 LJFOAXLJFBTBRI-KTKRTIGZSA-N 428.916 5.472 30 10 IKEE C(/C=C\c1ccccc1)=NN=C(NN=C/C=C\c1ccccc1)NN=C/C=C\c1ccccc1 254482931 HZUAMPDDPCIIEZ-SXPBDPPJSA-N 446.558 5.619 30 10 IKEE CCc1ccc(-c2csc(=NC)n2N=Cc2ccc(N(C)c3ccccc3)cc2)cc1 254524056 YMRICRAMKBKBTR-UHFFFAOYSA-N 426.589 5.960 30 10 IKEE O=C1/C(=C\C=C/c2ccccc2[N+](=O)[O-])CCCC/C1=C\C=C\c1ccccc1[N+](=O)[O-] 254579396 UVZRGIGWZSLUIN-YTURKZMYSA-N 430.460 6.226 30 10 IKEE CCCCCCCCCCCCOc1ccc(C=Nc2ccc(C(=O)O)cc2)c(O)c1 254699236 RTZCUSYPSRURMI-UHFFFAOYSA-N 425.569 7.141 30 10 IKEE CCCCCCCCCOc1ccc(N=Cc2ccc(O[C@H]3COCC=C3C)cc2)cc1 254708795 XNUMMXZDRSMRNZ-NDEPHWFRSA-N 435.608 7.291 30 10 IKEE CN(C)c1ccc(/C=C2/SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc1[N+](=O)[O-] 254836783 NQVOCPLHSSXKQA-KGXUUABDSA-N 444.516 5.469 30 10 IKEE CN(C(=O)c1ccncc1)c1ccc(CNc2cc(C#N)c3cc(Cl)ccc3n2)cc1 301290995 UJABETQQDBTZQY-UHFFFAOYSA-N 427.895 5.044 30 10 IKEE CCc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 526802472 ICGDOXXNHFUMLP-PKAZHMFMSA-N 430.552 5.745 30 10 IKEE CCCOc1c(Cl)cc(/C=N\n2cnnc2SCc2ccc(C)cc2)cc1Cl 526803609 CRCNCGDJMBRLCP-MYKKPKGFSA-N 435.380 5.857 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1ccc(OC(C)C)cc1 526822287 ICWOJPCFBIDKTF-QQXSKIMKSA-N 433.581 5.454 30 10 IKEE CCCCCCCOc1ccc(Nc2ncnc3scc(-c4ccc(C)cc4)c23)cc1 586470739 FYHUAQNHEBVKIK-UHFFFAOYSA-N 431.605 7.760 30 10 IKEE C[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698874064 MAKJKCMWGKLKCW-MHECFPHRSA-N 435.609 5.628 30 10 IKEE C[C@H]1[C@H]2CC[C@@H](C[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1)N2C(=O)OC(C)(C)C 709318450 QNSKGZLADLASQV-RXPSNABZSA-N 447.620 5.626 30 10 IKEE O=C1c2cccc3cccc(c23)C(=O)N1c1ccc(N=Cc2c(O)ccc3ccccc23)cc1 1081167951 XQIHDESFCGYBEX-UHFFFAOYSA-N 442.474 6.250 30 10 IKEE O=[N+]([O-])c1ccc2nc(N=Cc3ccc(Sc4cccc5cccnc45)o3)sc2c1 1084001102 PKHCSUXUZRYQPB-UHFFFAOYSA-N 432.486 6.248 30 10 IKEE COc1ccc(-c2oc(N=Cc3ccc(C#N)cc3)c(C#N)c2-c2ccc(OC)cc2)cc1 1084267801 QOJSSLIPBZVEME-UHFFFAOYSA-N 433.467 6.125 30 10 IKEE COc1ccc(N=C2C(=O)N(CN(C3CCCCC3)C3CCCCC3)c3ccccc32)cc1 1084630248 ARXPGSDGIATSRR-UHFFFAOYSA-N 445.607 6.088 30 10 IKEE CC(/C=N\N=C1/S/C(=C\c2ccc(O)cc2)C(=O)N1Cc1ccco1)=C\c1ccccc1 1554646548 RYZFYQVDBCMFPR-UXTFBEHYSA-N 443.528 5.547 30 10 IKEE C=CCCCn1c(C2CCCC2)nnc1N1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 1740874059 LZJMJBCYIYWCLC-FQEVSTJZSA-N 439.604 5.000 30 10 IKEE CCN1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=Nc1nc(-c2ccccc2)cs1 1772738804 RJOCKRYWIRHLST-RQUXIJKASA-N 443.956 6.227 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=Nc1nc(-c2ccccc2)cs1 1772740346 ZSAUFYFJTSZHMY-HOMYTQLHSA-N 448.529 5.508 30 10 IKEE C=CCN1C(=O)/C(=C/C(Cl)=C\c2ccccc2)SC1=Nc1ccc(C(=O)O)c(O)c1 1772760941 JAIVANUZWQTNGR-QBBUTKDVSA-N 440.908 5.003 30 10 IKEE CCCC[C@H](CC)CC1(C[C@@H](CC)CCCC)c2ccsc2-c2sc(C#N)cc21 1857523039 IUOOUXSCGMFBPV-PMACEKPBSA-N 427.723 9.161 30 10 IKEE CCCCCCCOc1cccnc1NC(=O)OCc1ccc(CN(CC)CC)cc1 1858701559 FKCFVLGRVKWAKW-UHFFFAOYSA-N 427.589 6.021 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc3c(c2)CCCC3)n(Cc2ccc(Cl)cc2)n1 1862359316 QPVWBMVQQZNLST-UHFFFAOYSA-N 445.994 5.945 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@@H]2c2ccccc2)cc1C 1862400540 HDEXJGUOXDWRCM-RUZDIDTESA-N 441.527 5.133 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1cccc(OC)c1 1862413563 GMHVGLKBCALBGH-OAQYLSRUSA-N 429.463 5.132 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(O)c1 1862443400 PCRAUYUNLBKEON-MMACOIQUSA-N 425.912 5.203 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(C(C)C)cc1 1862445898 GRAFJPPMXYRAFI-HSZRJFAPSA-N 439.983 6.622 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2Cc2cccs2)c1 1862455857 DNDNAWGIHGESFZ-HXUWFJFHSA-N 443.446 5.252 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccccc2Cl)cc1 1862476326 INWKXVCHHLNIME-GAJHUEQPSA-N 431.919 5.988 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2c(Cl)cccc2Cl)cc1 1862482565 QZNRPQUDKSEKEM-OAQYLSRUSA-N 444.358 6.213 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 1862491853 DACQTFZROVFDDH-ODOSVJCGSA-N 448.519 5.369 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccccc2Cl)ccc1F 1862502481 AZEVZCKQZIDALU-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 1862521403 HVWBSGDCMWAYAU-HXUWFJFHSA-N 448.346 5.769 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(C(C)C)cc1 1862527081 ODKLZCJQSGGLOL-HXUWFJFHSA-N 440.337 5.337 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(CC)cc1 1862529784 JZIODTXBXGJVEM-SANMLTNESA-N 447.619 6.750 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(N(C)C)cc1 1862535399 YVTGKVOEPPOXBO-DEOSSOPVSA-N 434.580 5.474 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2cccc3ccccc23)cc1 1862561766 SZJOUPWIRDIVHN-AREMUKBSSA-N 448.522 5.509 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(Cl)c(Cl)c2)c1 1862563013 SLXHYRWUWSDCOY-LJQANCHMSA-N 431.319 5.097 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862594139 AHLZEAGOZYJDJX-XMMPIXPASA-N 445.490 5.433 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(C(C)(C)C)cc1 1862654380 ZOZCJJGLEOYYQK-CJAUYULYSA-N 441.571 6.514 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@H]2c2ccccc2)cc1 1862659690 CHOUPFJQAFSKGY-DEOSSOPVSA-N 445.946 6.242 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc(Br)c1 1862681089 RHZPTSGIJUCIMB-LJQANCHMSA-N 446.316 5.357 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(C)cc1 1862721442 FJEWVDQVULPNIB-RUZDIDTESA-N 441.527 5.277 30 10 IKEE CSc1cccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(C)c(C)c3)C2=O)c1 1862883125 YKMXNBLJBYPXJF-UHFFFAOYSA-N 439.540 5.294 30 10 IKEE C[C@H]1CCCC[C@H]1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2cccc3ccccc23)C1=O 1863226497 YLKNRCNHDFPTPY-MHECFPHRSA-N 435.527 5.482 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)c2cc(=O)c3cc(C(C)C)ccc3[nH]2)c1 1866501285 KBWHKERPQYCBFV-UHFFFAOYSA-N 449.510 5.315 30 10 IKEE C=CCN(CC=C)c1cc(N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)nc(-c2cccc(OC)c2)n1 1867991654 DNCAHHZNDXNLCL-ZBLYBZFDSA-N 432.612 5.736 30 10 IKEE C=CCN(CC=C)C(=O)[C@](C)(CC)NC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)C(C)C 1868862372 ULYODOUTXAWHGM-KNQAVFIVSA-N 425.400 5.219 30 10 IKEE C=CCn1cc(OCC(=O)Nc2ccc(C)cc2C)c(=O)cc1CSCc1ccccc1 1870229402 YSMAQFYERAYNHD-UHFFFAOYSA-N 448.588 5.102 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OC)c(=O)cc1CSCc1ccccc1 1870264271 ZLVXNZJKUGNODM-UHFFFAOYSA-N 431.598 5.194 30 10 IKEE C=CCn1cc(OCCOc2cccc3ccccc23)c(=O)cc1CN(CC)CCCC 1870592989 BEKLWEZTWVJLAR-UHFFFAOYSA-N 434.580 5.267 30 10 IKEE CCCCCCCCCCn1cc(OCCCCC)c(=O)cc1CN1C[C@H](C)O[C@H](C)C1 1870678570 BYZYHXYSTLLLMM-PSWAGMNNSA-N 448.692 6.167 30 10 IKEE Cc1cc(O[C@H](C)C(=O)OC(C)C)cc2c1C(=O)/C(=C/c1ccc(Br)cc1)O2 1871401068 SPSBOJNEXVBFET-SAGYFLTASA-N 445.309 5.093 30 10 IKEE CCCC[C@H](Oc1ccc2c(c1C)O/C(=C\c1ccc(Br)cc1)C2=O)C(=O)O 1871422932 IVXJZJAKWSSWEH-IZILLXMLSA-N 445.309 5.396 30 10 IKEE N#C[C@H](C(=O)C(c1ccccc1)c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 1872766280 GAJAAXWWCWRTIZ-OAQYLSRUSA-N 428.944 6.472 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)c(C)c1 1872769015 HFHDFZDOEQDPNT-QGZVFWFLSA-N 436.449 5.042 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(Cl)c(Cl)c3)n2)cc1 1872770448 UUKDFVJZYFPHEC-KRWDZBQOSA-N 445.371 6.325 30 10 IKEE C=CCOc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2ccc(C(C)C)cc2)cs1 1872776435 PTWVESHDRZAAGJ-FQEVSTJZSA-N 432.545 5.754 30 10 IKEE N#C[C@H](C(=O)c1cccc2ccccc12)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872779589 MUUFPFVYDDHFQH-RUZDIDTESA-N 446.531 7.246 30 10 IKEE COc1c(Cl)cc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(C)c(C)c3)n2)cc1Cl 1872785800 WGRNZZWORYUIOW-INIZCTEOSA-N 445.371 6.161 30 10 IKEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)NCc3cccc(Cl)c3)cc2[nH]1 1872809746 YOIYCESHERTUFW-UHFFFAOYSA-N 447.922 5.290 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc2nc(CCc3ccc(Cl)cc3)[nH]c2c1 1872811058 ILIQFVKFYURPFQ-UHFFFAOYSA-N 440.031 6.872 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2OC)C(=O)N([C@H]2CCCC[C@@H]2C)C1=O 1873152804 NBOPBTCXKOBABX-FPOVZHCZSA-N 426.601 5.304 30 10 IKEE C=CCN1C(=O)C(Nc2cc(Cl)c(Cl)cc2Cl)=C(c2ccc(Cl)cc2)C1=O 1873357375 IKMQVSXVIWJHPJ-UHFFFAOYSA-N 442.129 5.678 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccccc2Cl)=C(c2ccccc2)C1=O 1873413154 OPVNXVDGTQXPLF-UHFFFAOYSA-N 438.999 6.673 30 10 IKEE CCCCC1CCC(c2nnc(SCCO)n2/N=C/c2c[nH]c3ccccc23)CC1 1874286385 CYYGXWPTFTWOHS-PCLIKHOPSA-N 425.602 5.190 30 10 IKEE CCCCC1CCC(c2nnc(SCC(=O)OC)n2/N=C/c2ccccc2F)CC1 1874287808 YSBOASIBPXOANX-ZVHZXABRSA-N 432.565 5.029 30 10 IKEE COc1ccccc1OCc1nnc(SCc2ccccc2F)n1/N=C/c1ccccc1 1874291174 LKQSWDRGIBAWDC-CVKSISIWSA-N 448.523 5.179 30 10 IKEE CCCSc1nnc(-c2ccccc2Cl)n1/N=C/c1cccc(Br)c1 1874367493 FPHCXTMIGAURDF-CIAFOILYSA-N 435.778 5.745 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(CCc2ccccc2)n1/N=C/c1ccc[nH]1 1874405674 JZGAYTRBQGEPOI-VULFUBBASA-N 439.947 5.358 30 10 IKEE C(=N/n1c(CC2CCCCC2)nnc1SCc1cccc2ccccc12)\c1ccco1 1874409279 OAOKYTBIGMDUOG-YZSQISJMSA-N 430.577 6.322 30 10 IKEE Clc1ccccc1CSc1nnc(Cc2cccs2)n1/N=C/c1ccccn1 1874413167 GHRHSBQUANGXRW-YDZHTSKRSA-N 425.970 5.153 30 10 IKEE CCCCCCOc1ccc(/C=N/n2c(SCC)nnc2-c2cccs2)cc1OC 1874421358 IQRHAISOCJUSNC-XQNSMLJCSA-N 444.626 5.969 30 10 IKEE Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1cccs1 1874427928 IVQKTNCXXAKSSQ-ZVHZXABRSA-N 447.589 5.236 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874476541 OWCGBOIBCVYOPA-FSJBWODESA-N 447.923 5.496 30 10 IKEE CCCCc1nnc(SCC)n1/N=C/c1ccc(OCc2ccc(C)cc2)c(OC)c1 1874476963 BZILPHHMLKPKSP-PCLIKHOPSA-N 438.597 5.511 30 10 IKEE COCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1c(F)cccc1Cl 1874502923 HETZVWAPWFUCTH-LSFURLLWSA-N 425.316 5.045 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1ccc(N(CC)CC)cc1 1874507601 LNMPNRCBURHODS-YZSQISJMSA-N 435.641 5.868 30 10 IKEE Clc1ccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C2CC2)cc1 1874520809 OOIBHBWDHUAWKL-AUEPDCJTSA-N 437.783 6.290 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874527407 NHVVOQAXJZDHFI-LSHDLFTRSA-N 437.352 5.036 30 10 IKEE Cc1ccc(COc2ccc(/C=N/n3cnnc3SCc3cccc(C)c3)cc2)cc1 1874536439 DXJNFKHBYURIOU-JFLMPSFJSA-N 428.561 5.648 30 10 IKEE Cc1ccc(OCc2nnc(S)n2/N=C/c2ccccc2OCc2ccccc2)cc1C 1874563263 SEAMMVPIIINDQN-CVKSISIWSA-N 444.560 5.224 30 10 IKEE O=C(COc1ccccc1/C=C/C(=O)c1ccc(Cl)cc1Cl)Nc1ccc(F)cc1 1874573646 YPFBLZAWMDNCAC-LFYBBSHMSA-N 444.289 6.046 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCc2ccccc2)c(OC)c1 1874588057 RPXPOWOIXDKXSV-FMIVXFBMSA-N 438.907 5.841 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1OCc1ccccc1F 1874599843 GVGPFZCAJYHPAS-SDNWHVSQSA-N 432.535 6.915 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1OCC(=O)OCC(C)C 1874616177 MJXMKTUGVVJRIQ-XBXARRHUSA-N 437.319 5.476 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)c1OCc1cccc(F)c1 1874617453 BWWATHOOEQQXHH-PKNBQFBNSA-N 438.926 6.970 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2Cl)o1 1874617931 AICHLPMJDWICIJ-JXMROGBWSA-N 438.907 6.202 30 10 IKEE COc1cccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)c2)c1 1874693441 FUCPYXFZONIGHT-FOWTUZBSSA-N 440.539 6.008 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OC(=O)Cc1ccc(F)cc1F 1874697414 WRVALSKTDSCELC-UXBLZVDNSA-N 442.845 5.671 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2ccccc2)cc1OC(=O)c1ccco1 1874700343 NLHBYQXADSAUJK-MDZDMXLPSA-N 427.250 5.166 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)c1 1874703648 ZUFSMIYLQXDRRS-DHZHZOJOSA-N 435.863 5.980 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccccc3)c2)c1 1874713287 OZCQYTFRVSFVIR-SDNWHVSQSA-N 446.499 5.608 30 10 IKEE COc1cccc(C(=O)Oc2cccc(/C=C/C(=O)c3cc(Cl)cc(C)c3OC)c2)c1 1874715396 RIWJNOLNQQPEBM-ZHACJKMWSA-N 436.891 5.781 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(OC)c1OC(=O)c1ccc(F)cc1 1875104329 RJDXVJITJUANBH-NTEUORMPSA-N 446.474 5.687 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c(OC)c2)cc1C 1875108913 MGRSNHBVDKULTF-JXMROGBWSA-N 447.443 5.036 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc([N+](=O)[O-])c1OC(=O)C1CCCC1 1875126497 LHIGZXPCNFZKEN-KPKJPENVSA-N 443.883 5.639 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3sccc3C)c(Br)c2)cc1 1875133535 ZKGSAFWGUUNYCH-WEVVVXLNSA-N 441.346 6.243 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)c1cnc(C)cn1 1875133665 GAKXJVCLFABDNR-PKNBQFBNSA-N 442.515 5.254 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc([N+](=O)[O-])c1OC(=O)C(C)(C)C 1875134642 CQBMROQHXDXBQM-PKNBQFBNSA-N 425.481 5.458 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)CCCCCCCC 1875136191 BLWPYHOQINEBFP-KNTRCKAVSA-N 448.603 7.284 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3ccc(/C=C/C(=O)c4ccc(F)c(C)c4)cc3)c(C)c2c1 1875140981 HUKDMZNWBWXTJO-NTUHNPAUSA-N 427.475 6.348 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)c3ccncc3)c(Br)c2)ccc1F 1875141642 NYRVIYNWXSISJX-QHHAFSJGSA-N 440.268 5.407 30 10 IKEE CN(C)c1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2Cl)cc1 1875149659 APQIBTSUSLFSFY-XCVCLJGOSA-N 449.890 5.250 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc([N+](=O)[O-])c1OC(=O)CC(C)C 1875175052 WPBAUSIALNKSRV-CSKARUKUSA-N 425.481 5.458 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc(OC)c1OC(=O)c1ccco1 1875184092 IERCCNFDSSCKCS-ZRDIBKRKSA-N 448.515 6.018 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3cc(C)cc(C)c3)c(Cl)c2)cc1C 1875188551 YNQHYWMEDYROED-SOFGYWHQSA-N 448.946 6.698 30 10 IKEE C=CCn1c(C(=O)N(CCC)CCCC)cc2c(NCCCCc3ccccc3)ncnc21 1875230024 LOSBNELXZSPFGU-UHFFFAOYSA-N 447.627 5.704 30 10 IKEE CC1(C)OB([C@]23C[C@@H]2CCN(Cc2cccc(Br)c2Cl)C3)OC1(C)C 1879796402 VDFKCHMTFZFCFP-LIRRHRJNSA-N 426.591 5.161 30 10 IKEE N#Cc1cccc(NC(=O)N2CCC(c3ccc4cc(-c5ccccc5)cnc4n3)CC2)c1 1891650069 PKSQGEJXMMLMMV-UHFFFAOYSA-N 433.515 5.580 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(CCC[C@@]2(C#N)N(C(=O)OC(C)(C)C)c2ccccc2)C1 1918265602 WVJTVLRAODHEMK-DQEYMECFSA-N 441.572 5.502 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1c(F)ccc(NC(=O)OC(C)(C)C)c1F 1922060735 RZGISEMWASCSMF-QFIPXVFZSA-N 432.511 5.735 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 1922061245 XRIQLKIEJVXDRV-XWGVYQGASA-N 430.633 5.459 30 10 IKEE C=C([C@H](NCCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1)[Si](C)(C)C 1923002072 SBKLDRYNUNISBZ-SFHVURJKSA-N 441.486 6.270 30 10 IKEE CC[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)CN1Cc1ccccc1 1942589119 HWKHDJKMSSVCJO-NVQXNPDNSA-N 425.617 5.893 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CN(Cc2ccccc2)C2(CCC2)C1 2037915006 RDBAPIRIRZVFKY-MHZLTWQESA-N 431.580 5.828 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)c(OC)c1 2053515443 TZRSXQYFWJBVNN-UHFFFAOYSA-N 443.930 6.777 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C12CCC2 2057185982 SSKFYTFZKLQKQW-VWLOTQADSA-N 447.620 5.772 30 10 IKEE Cc1cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)sc1Br 2082336303 RVBCTNZWXQCXRC-AWEZNQCLSA-N 441.778 6.479 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)C2(C#N)[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)c1 2099267757 XOXPCBNRVQNROM-SFTDATJTSA-N 449.595 5.487 30 10 IKEE Cc1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)ccc1Cl 2107698102 SJAGOBNCRQETBB-GOSISDBHSA-N 435.749 6.417 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CC12CCC(C#N)(Nc1ccc(Br)cc1)CC2 2158286448 VNYMFEAOPYGORJ-VUZGARFFSA-N 434.378 5.228 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(Nc3ccc(C#N)cc3Br)CCCCC[C@@H]12 2162340937 CVZMZWVKJXIKGY-NQIIRXRSSA-N 434.378 5.445 30 10 IKEE CC[C@@]1(CNc2cc(Br)c(C#N)cc2F)CCCCN1C(=O)OC(C)(C)C 2162424299 YSJHRAWLAJIHHQ-FQEVSTJZSA-N 440.357 5.442 30 10 IKEE CCN(C(=O)OC(C)(C)C)c1ccc(CNc2cccc(Br)c2C#N)cc1 2176855500 HOQFTESFOQZLOE-UHFFFAOYSA-N 430.346 5.694 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C1 2215220085 XDFFPFVMKQLVRM-QHCPKHFHSA-N 447.963 5.375 30 10 IKEE C=CCCN(Cc1ccccc1)c1c(CN[C@@H](C)CC)ccc(Br)c1Cl 2231461002 MMHGSBOQSBHKEM-KRWDZBQOSA-N 435.837 6.573 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Cl)c(Cl)c(Cl)c1 2232520715 QFCJOSFMZVWTOL-SJLPKXTDSA-N 433.807 5.994 30 10 IKEE C=C(C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)c1ccccc1 2237412795 VHJXEJCRBLBGRQ-IBGZPJMESA-N 430.342 5.167 30 10 IKEE C=C1C[C@@H]1C[C@H](NCCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237425264 PUWQWEVRGBFSTL-YZGWKJHDSA-N 437.422 5.219 30 10 IKEE CCCN(CCC#N)C(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2243925258 SMPPIRXYDDGTBS-RUZDIDTESA-N 447.579 5.092 30 10 IKEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CC[C@H](C)C[C@@H]1OCc1ccccc1 2262202784 AXQXPURPMFEDPM-IDNYDCHQSA-N 438.564 5.395 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)cc(C(C)C)c1 2280707944 FIYPXRBRGPSIEE-VQTJNVASSA-N 439.438 6.083 30 10 IKEE CN[C@H](C#Cc1ccccc1F)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2281365846 SPRGNBZSWZHWBC-LJQANCHMSA-N 433.321 5.247 30 10 IKEE N[C@@H](CC(F)(F)C(F)(F)F)c1c(F)cc(Br)c(F)c1Br 2288374323 RHYGITOQFCFUSD-YFKPBYRVSA-N 432.959 5.077 30 10 IKEE COc1ccccc1N=C1SC(=Cc2ccc(O)cc2)C(=O)N1c1ccccc1OC 2293039539 KPNMKLBBPBUSOP-UHFFFAOYSA-N 432.501 5.218 30 10 IKEE CCN[C@@H](C#Cc1cccc(Br)c1)C[C@H](CC(C)C)NC(=O)OC(C)(C)C 2296266790 MDWWOIKKCFIBFW-PMACEKPBSA-N 437.422 5.108 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C 2296269531 PISPXZMEFAHLST-RTBURBONSA-N 437.422 5.108 30 10 IKEE CCCCN(CCCC)Cc1c(O)ccc2c1OC(=Cc1cc(OC)ccc1OC)C2=O 2296602940 QLJJSNRDBMCEGI-UHFFFAOYSA-N 439.552 5.428 30 10 IKEE COc1ccc(OC)c(C=C2SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)c1 2296826845 ZPCSONYMHSEOKG-UHFFFAOYSA-N 444.556 6.129 30 10 IKEE C=CCOc1c(Cl)cc(C=C2SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OCC 2297308150 UDGAXPRWOLJBBQ-UHFFFAOYSA-N 447.915 5.679 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c3ccccc3)C2)C1 2301634103 KZUZTQILUZPKDG-XMMPIXPASA-N 427.545 5.111 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@H](C#N)[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 2304178422 BJFBZIRKRHTPHK-ZWKOTPCHSA-N 447.601 5.167 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1c(Cl)cccc1Cl)C2=O)c1ccc(F)cc1 2314438126 IGQNQQWXTHKCLV-UHFFFAOYSA-N 443.257 6.010 30 10 IKEE O=C1C(=CC=Cc2ccco2)SC(=Nc2cccc(Cl)c2)N1c1cccc(Cl)c1 2314600113 GTPLHNPPPHNSDI-UHFFFAOYSA-N 441.339 6.951 30 10 IKEE Cc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(OCC(C)C)cc1 2318571571 NOJMSSHTWNIDKL-UHFFFAOYSA-N 432.952 5.588 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCc4c(F)cccc4Cl)cc(C)c3C2=O)cc1 2321805167 ZJXWCAOHBXNEBH-UHFFFAOYSA-N 438.882 6.381 30 10 IKEE CC(C)CCN1COc2ccc3c(c2C1)OC(=Cc1ccc(-c2ccccc2)cc1)C3=O 2322235076 XKUVRJVCOCWXIB-UHFFFAOYSA-N 425.528 6.168 30 10 IKEE COc1cccc(C=CC(=O)c2ccccc2Cl)c1OCc1ccc(Cl)c(Cl)c1 2322437037 NRHANWAHSBYSID-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE COc1ccccc1C(=O)C=Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc12 2322478985 QMUDBPUUWPCHQT-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(C)c1 2322484021 CECUHUPKJPSMGK-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)cc(C)c3C2=O)cc1 2322731495 KQQSVHOKCJGMON-UHFFFAOYSA-N 442.511 6.137 30 10 IKEE Cc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(Br)cc2)C3=O)c1 2322880911 YTOIQRSSBPEBLD-UHFFFAOYSA-N 449.300 5.901 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccccc2F)cc1Cl 2322974885 HCKUTKSGCIAHNL-UHFFFAOYSA-N 439.870 5.401 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OC(=O)c4ccc([N+](=O)[O-])c(C)c4)c3C)C2=O)c1 2323280137 UYUFKHCINJHRKH-UHFFFAOYSA-N 429.428 5.355 30 10 IKEE CCN(CC)C(=O)COc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1OC 2323358317 KACNLAWTUMETRH-UHFFFAOYSA-N 443.543 5.506 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Cl)c(OCCc3ccccc3)c(OC)c2)cc1 2323533082 SACLLNDAOWCYCI-UHFFFAOYSA-N 448.990 7.209 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1cccc(C)c1 2323783260 DSVROTMOQHQVFW-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 2323802719 DYIMILRKFJCJMS-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1cccs1)C2=O 2324324949 ACRTUEGCXLGESO-OAHLLOKOSA-N 435.501 5.169 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 2324357047 MWNVSPPBEOGJQU-NRFANRHFSA-N 443.543 5.464 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccncc2)C3=O)c1 2324456193 POTBQUOJTNANFF-SFHVURJKSA-N 428.488 5.029 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(C(C)(C)C)cc3)n2)cc1 2324545637 KRWOWPSAHHIRKZ-HSZRJFAPSA-N 444.600 6.786 30 10 IKEE CCCCCCCCCOc1ccc2c(c1C)OC(=Cc1cn(C)c3ccccc13)C2=O 2325185358 UFGPMCJRUXQQGI-UHFFFAOYSA-N 431.576 7.232 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O)Nc1ccc(Cl)cc1F 2325489948 JJYIDKGSOAFTIC-UHFFFAOYSA-N 441.817 5.252 30 10 IKEE Cc1cc(OCC(=O)Nc2nccs2)cc2c1C(=O)C(=Cc1ccc(C(C)C)cc1)O2 2325589535 BFMULNXXZRPMJZ-UHFFFAOYSA-N 434.517 5.209 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(-n3cccc3)cc2)c1)c1ccc2ccccc2c1 2325700371 NVTDTHGBUJISJY-UHFFFAOYSA-N 443.502 6.746 30 10 IKEE Cc1cccc(C)c1OCC(=O)Oc1cccc(C=CC(=O)c2ccc3c(c2)CCCC3)c1 2325702198 IJFBLJXCHHHKTD-UHFFFAOYSA-N 440.539 6.063 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 2325746446 XTLMAJOAEPTCCZ-UHFFFAOYSA-N 442.511 6.025 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC(=O)C1CCCC1 2325753934 QVWIFCGOIVCYHW-UHFFFAOYSA-N 436.548 6.127 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1OC(=O)Cc1ccccc1F 2325754975 GGUOBIRZIZAMCN-UHFFFAOYSA-N 448.490 5.504 30 10 IKEE CCCCCCC(=O)Oc1cc(C=CC(=O)c2ccc(OC)c(Cl)c2)ccc1OC 2325767962 FYMASMRPTBXDHB-UHFFFAOYSA-N 430.928 6.129 30 10 IKEE CCOc1ccc(C=Nn2c(C)nnc2SCc2ccccc2F)cc1Br 2326264530 XTENABFQLGXLLV-UHFFFAOYSA-N 449.349 5.061 30 10 IKEE CSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1c(Cl)cccc1Cl 2326500802 DGGUVXOAJADTTC-UHFFFAOYSA-N 441.771 5.730 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(OCC)c(Cl)c1 2326736099 HNMZORPXQMNKLZ-UHFFFAOYSA-N 446.979 5.986 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2C)n1N=Cc1ccc(F)cc1F 2327114954 CYMHSWWBYWYJOP-UHFFFAOYSA-N 430.524 5.261 30 10 IKEE Cc1ccccc1CSc1nnc(COc2ccccc2Cl)n1N=Cc1ccc[nH]1 2327617326 FDOBLBOLJNCNFW-UHFFFAOYSA-N 437.956 5.322 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CCc2ccc(Cl)cc2)nnc1SCC 2328051622 AJWWROBCMZEYCN-UHFFFAOYSA-N 426.973 5.276 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccc(C)c(C)c3)n2N=Cc2cccnc2)cc1 2328768855 LAKHIQJBLQDDOE-UHFFFAOYSA-N 443.576 5.352 30 10 IKEE COc1ccc(Cc2nnc(SCc3cccc(C)c3)n2N=Cc2cccc(C)c2)cc1 2329252519 FDEMXWKCBNAXAT-UHFFFAOYSA-N 442.588 5.669 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1ccc(OC)cc1OC 2329420223 ZRHJOBCLFWAVCX-UHFFFAOYSA-N 436.581 5.053 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2ccccc2C)cc1C 2329432709 KBPSAGSAFJCINF-UHFFFAOYSA-N 440.616 6.011 30 10 IKEE C=CCSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(N(CC)CC)cc1 2329588172 QGSQAINDHUMOMJ-UHFFFAOYSA-N 425.989 5.605 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(F)c3)n2N=Cc2cccc(C)c2)cc1 2329955461 JOKQIKZVENHBJU-UHFFFAOYSA-N 430.552 5.799 30 10 IKEE Fc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccccc2)c(F)c1 2330194052 LGTSVXLABXAVSN-UHFFFAOYSA-N 434.515 5.516 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3cccs3)n2N=Cc2ccccc2F)c1 2330393542 QSOKTZQDUQMYKD-UHFFFAOYSA-N 436.581 5.861 30 10 IKEE C[C@H](C(=O)Oc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1)c1ccccc1 2330595311 SBXDWXRVHLBDJS-QFIPXVFZSA-N 432.519 6.959 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2cccc(C)c2)nnc1-c1ccccc1 2330646921 LBRFFSBIRORNPQ-UHFFFAOYSA-N 442.588 6.217 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3ccccc3c2)cc([N+](=O)[O-])c1OC(=O)C(C)(C)C 2330669738 PCEWGUYNBBWYOR-UHFFFAOYSA-N 447.487 5.994 30 10 IKEE COc1ccccc1C=Nn1c(SCc2ccc(Cl)cc2)nnc1-c1ccccc1 2330684897 DILRGFZXHJZNER-UHFFFAOYSA-N 434.952 5.782 30 10 IKEE Cc1cc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3Cl)cc2)ccc1F 2330804473 LAYDYIDUANHPFU-UHFFFAOYSA-N 443.301 6.485 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2)cc(Cl)c1OC(=O)C(C)(C)C 2330871822 VZLDQJKANAKVDJ-UHFFFAOYSA-N 430.928 5.903 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1)c1ccc(Cl)c(Cl)c1 2330910552 UDWUGZLDTZEFSK-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SCC)nnc2[C@@H]2CCCO2)cc1OCC 2330944046 BDYVFPGDCRMSCA-IBGZPJMESA-N 432.590 5.092 30 10 IKEE Clc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2[C@@H]2CCCO2)cc1 2330967910 PUMHMPRPZVOITC-SFHVURJKSA-N 433.364 5.611 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2C(F)(F)F)cc1 2331123601 VSAXODRMZNYOGY-UHFFFAOYSA-N 438.450 5.399 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2-c2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 2331170443 RMAWUBLTTAPGPW-UHFFFAOYSA-N 449.462 6.377 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1ccccc1F 2331371991 YEHKRKASELHTDB-UHFFFAOYSA-N 434.463 5.657 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C(F)(F)F)cc3)cc2)cc1F 2331451323 RDAKMZDTAXJXKY-UHFFFAOYSA-N 444.380 5.968 30 10 IKEE Cc1ccc(C=Nn2c(CC(C)C)nnc2SCc2ccc(Cl)c(Cl)c2)cc1 2331471946 UQPNAKHGKSPRSG-UHFFFAOYSA-N 433.408 6.266 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)cc2F)c(Cl)c1)c1ccc(F)c(F)c1 2331557509 DEWACNYNJKUURS-UHFFFAOYSA-N 434.772 6.012 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)[C@@H]2CCCO2)c([N+](=O)[O-])c1 2331794801 KWCZCZFFDAYPNA-QHCPKHFHSA-N 437.492 5.181 30 10 IKEE Cc1ccc(-n2nnc(C#N)c2NC(=O)C(=Cc2ccccc2)c2ccccc2)cc1Cl 2332188740 UJOFXKBCMBFSFF-UHFFFAOYSA-N 439.906 5.280 30 10 IKEE Cc1ccc(C(=O)N2CC[C@@](C)(B3OC(C)(C)C(C)(C)O3)C2)cc1NC(=O)OC(C)(C)C 2342474819 WZYRGOWQFPLAJN-XMMPIXPASA-N 444.381 5.040 30 10 IKEE C=CC[C@@H](CNC(C)(C)C)Cc1ccc(I)c(Br)c1 2349816756 NDAIHFPTTYBEEI-CYBMUJFWSA-N 436.175 5.177 30 10 IKEE C=CCC[C@H](C)[C@@H](OCCC(=O)O)c1sc(Cl)cc1I 2366703768 GGGYIMAZUNZKRA-TVQRCGJNSA-N 428.719 5.141 30 10 IKEE CC1(C)OB(c2ccc(CSCc3ccc(Br)cc3)c(F)c2)OC1(C)C 2369071300 OWJYLPUMRCWMHK-UHFFFAOYSA-N 437.183 5.321 30 10 IKEE CC1(C)OB(c2ccc(COc3ccc(F)c(Cl)c3)cc2Br)OC1(C)C 2377302575 AUXHTFSPPDXZQT-UHFFFAOYSA-N 441.533 5.120 30 10 IKEE CCCC[C@H](CC)COCc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1 2377302616 BDQYPTJLUWNEPB-INIZCTEOSA-N 425.216 5.481 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2 14465104 NRKWHOABCWOHKA-IMSXRSKXSA-N 440.996 5.529 30 10 IKEE C[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(F)cc1)[C@H]2c1ccccc1 17094851 CNHLQALQXYBQFW-QLXKLKPCSA-N 426.491 5.892 30 10 IKEE C=CCn1c(COc2ccccc2F)nnc1SCC(=O)c1ccc(C(C)(C)C)cc1 21119266 CMXYOBAFPBYACC-UHFFFAOYSA-N 439.556 5.455 30 10 IKEE O=C1C[C@H](c2ccccc2Cl)CC2=C1[C@H](c1ccc([N+](=O)[O-])cc1)Nc1ccccc1N2 21220059 MGZWLRUREAQEOD-CPJLOUKISA-N 445.906 6.228 30 10 IKEE CC[C@@H](Sc1cc(C)c2cccc(OC)c2n1)C(=O)Nc1sc(C)c(C)c1C#N 32530178 MAGUBZDSNPANIO-GOSISDBHSA-N 425.579 5.611 30 10 IKEE COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccc(SC)cc2)ccc1O 33026446 ITOCUDZKPBQEBU-HJPURHCSSA-N 448.544 5.377 30 10 IKEE C=CCN(Cc1cccn1Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COCc1ccccc1 35840736 VVMHVMOLPOLZEE-NDEPHWFRSA-N 446.635 5.400 30 10 IKEE O=C1/C(=C/c2ccc(O)cc2)S/C(=N\c2ccccc2)N1CCc1c[nH]c2ccccc12 38206573 WUBWAPCCYPOPQB-KKOPTWAASA-N 439.540 5.720 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O)c1ccccc1Cl 38320832 YTHYKAVGRQLIFF-UKWGHVSLSA-N 445.685 6.482 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2)[C@@H]1c1cccc(OCCC)c1 40077807 YZNVWSOSGXATNU-QHCPKHFHSA-N 437.536 5.253 30 10 IKEE COc1ccc(CCC(=O)Nc2sc(=S)c3c(c2C#N)CC[C@@H](C)C3)cc1OC 41018800 IKSRPWYOGNMXLO-CYBMUJFWSA-N 428.579 5.063 30 10 IKEE Cc1c(OCc2ccc([N+](=O)[O-])cc2)ccc2c1O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 41501405 RCVFDFVUJCMNGG-MTJSOVHGSA-N 432.388 5.007 30 10 IKEE CC(C)(C)c1ccc(/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 59250476 DWWQAMAFWKAJNP-ZMOGYAJESA-N 448.813 7.895 30 10 IKEE C[C@H](Sc1nc2c(n1-c1ccccc1)CCCC2)C(=O)N(CCC#N)c1ccccc1 60386101 YVTDSNMXIBPHMA-IBGZPJMESA-N 430.577 5.179 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 100062985 GNWLHKRVVYUVMT-UHFFFAOYSA-N 425.013 7.459 30 10 IKEE CCCCCCCOc1ccc(NC(=O)CCCC(=O)OCCCc2ccccc2)cc1 100155446 XZTBMMDHOQPLNZ-UHFFFAOYSA-N 439.596 6.321 30 10 IKEE CCCCCCCOc1ccc(C(=O)Oc2ccc(I)cc2)cc1 100224048 KEZPKUHYNBHHSB-UHFFFAOYSA-N 438.305 5.860 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccccc3[nH]2)c1 169973210 RNZSNHQFORRBGD-OAQYLSRUSA-N 443.890 5.308 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(C(C)(C)C)cc2)s1 169975100 HUJRVESHOPTYKU-NRFANRHFSA-N 446.572 5.840 30 10 IKEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccccn1)c1cccc(Cl)c1 169998991 COFTZRYHJQKBHE-IBGZPJMESA-N 447.903 5.128 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2cccnc2)c(C)c1 170005261 MWHHDGLVODSPAH-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(O)cc2)c1 170132982 VZCTXZRVSLETRD-DEOSSOPVSA-N 443.499 5.272 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(O)cc1 170133462 JXFCGSJMTNHSFF-VWLOTQADSA-N 435.479 5.637 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)cc1Cl 170159568 CBSDEVBHLFMWBD-HXUWFJFHSA-N 439.920 5.501 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1cccnc1)c1cc2ccccc2o1 170188872 XOKKCZSLQAOUMH-OAQYLSRUSA-N 430.847 5.264 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2cccnc2)cc1 170188977 FRNALMKZABTMAL-QFIPXVFZSA-N 448.906 5.305 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCC2)cc1 170214695 NLBCEZVEHBEAOJ-NRFANRHFSA-N 425.912 5.260 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccc2)cc1C 170222905 WRELSKSLNUVOAY-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 170246573 JXTFTHKZSYEEOL-FQEVSTJZSA-N 448.346 5.771 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccc2C)c1 170271391 MBMBXQVGBXHPLI-RUZDIDTESA-N 441.527 5.875 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1c1ccc(C#N)cc1 170272772 YWQCWVUODWWVRQ-QFIPXVFZSA-N 428.875 5.303 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccco1)c1ccc2c(c1)CCCC2 170286575 HIKSUGQJNKSTDQ-QFIPXVFZSA-N 433.891 5.595 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccc(C)o2)c1 170297738 HTWSHYXVCTUSEY-DEOSSOPVSA-N 439.467 5.533 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccc(Cl)cc2)o1 170303125 OJBILGUNNZQDPK-IBGZPJMESA-N 428.271 5.678 30 10 IKEE Cc1cccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2cccc(C(=O)OC(C)C)c2)c1 170460179 FPVXBFBWOLBMOE-QHCPKHFHSA-N 435.520 5.075 30 10 IKEE Clc1ccccc1C=Nc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1 252622524 NXJXNXLKSDAELX-UHFFFAOYSA-N 433.942 7.610 30 10 IKEE C=CCn1c(SCCC(=O)NCc2ccc(F)cc2)nnc1-c1ccc2ccccc2c1 253574042 SCQWZDOSTJCTBQ-UHFFFAOYSA-N 446.551 5.222 30 10 IKEE FC(F)(F)c1nnc(S)n1N=Cc1c(OCc2ccccc2)ccc2ccccc12 254764388 OKTNFXGVFPUKKN-UHFFFAOYSA-N 428.439 5.200 30 10 IKEE COc1cccc(CON=C(C)c2cc(-c3ccc(F)cc3)n(-c3cccc(C)c3)c2C)c1 254851193 IICFHLNRQFRONS-UHFFFAOYSA-N 442.534 6.850 30 10 IKEE O=C(OCc1ccccc1)N1C[C@H](c2ccc(Br)c(Cl)c2)[C@@H](CS)C1 382681677 AVDMBDVKONARNR-HZPDHXFCSA-N 440.790 5.385 30 10 IKEE Fc1c(F)c(F)c(-c2c(I)ccnc2C(F)(F)F)c(F)c1F 514257252 ZLZYFYORZIHJOY-UHFFFAOYSA-N 439.043 5.068 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccncc2)c1 526604954 MSZYTTMCWHHHEF-XMMPIXPASA-N 425.488 5.189 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1cccc(OC)c1OCC 526807196 NBRLDIIQHNZMCB-OYKKKHCWSA-N 444.988 5.466 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1ccc(CC)cc1 526814077 NBLWQNBGINHWCS-QFEZKATASA-N 447.435 6.664 30 10 IKEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1cccc(C(F)(F)F)c1 526815080 TVVVUOFVQMCKTL-OPVMPGTRSA-N 445.297 6.087 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1cn(C)c2ccccc12 526815312 XUBBXXBBFGFNQR-MYKKPKGFSA-N 444.391 5.814 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)Nc3ccc(CC)cc3)C2)c1 585879335 JJVJOMBYAKBNBO-XMMPIXPASA-N 448.611 5.513 30 10 IKEE C=CCN(CCc1ccc(OCC)c(OCC)c1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586144718 VAWSKLUVGBFGCA-UHFFFAOYSA-N 445.625 5.201 30 10 IKEE N#Cc1cccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 586158625 JPWJTIJFWFPZOU-UHFFFAOYSA-N 431.344 5.256 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1ccc2c(c1)OCO2 698469868 NXHZZPOTODAFBK-INIZCTEOSA-N 431.286 5.184 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@@H](C#N)c1ccc(Br)c(Cl)c1 698948279 XAVIQRXAOLLISR-AWEZNQCLSA-N 428.718 5.605 30 10 IKEE C=C1CCC(C[C@H](NC)c2ccc(I)c(Br)c2)CC1 724602807 PCNUTGFHPMQZEC-INIZCTEOSA-N 434.159 5.451 30 10 IKEE O=C(Nc1ccc(Cl)cc1)ON=C1CCc2c1cc1ccccc1c2Br 1083945500 GMGFFRZTGDQVCV-UHFFFAOYSA-N 429.701 6.155 30 10 IKEE Cc1ccc(CSc2nc3ccc(N=Cc4cc([N+](=O)[O-])ccc4O)cc3s2)cc1 1084503956 IYIHDXZMNNZOOD-UHFFFAOYSA-N 435.530 6.261 30 10 IKEE O=C1/C(=C/c2ccccc2F)S/C(=N\N=C/C=C/c2ccccc2)N1Cc1ccco1 1554646424 KABWHWKATCWJBJ-CBUBQHOLSA-N 431.492 5.590 30 10 IKEE Fc1c(F)c(C(F)(F)F)c(F)c(F)c1NN=Cc1ccccc1OCc1ccccc1 1565518796 FHIZGPPMNQEYQC-UHFFFAOYSA-N 442.334 6.287 30 10 IKEE C=C(C)CS(=O)(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-] 1615216968 PAFANNOYJLMIMS-UHFFFAOYSA-N 435.807 5.409 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=Nc1nc(-c2ccccc2)cs1 1772737554 MXEAUANDFPXSPA-GNMKNICSSA-N 437.977 6.254 30 10 IKEE Cc1c(N=Nc2ccc(Cl)cc2Cl)c(O)n([C@H](C)c2ccccc2)c(=O)c1C#N 1772740263 GGKGDPGUEKNUPR-CYBMUJFWSA-N 427.291 6.066 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc3c(OC(=O)Nc4ccc(Cl)cn4)cccc23)c1 1858780343 WJOXFDRKVNFQCK-UHFFFAOYSA-N 442.862 5.623 30 10 IKEE CCc1c(Cl)c(C(=O)Nc2ccc(C#N)cc2)nn1Cc1ccc(Cl)c(Cl)c1 1859378168 AZZRJLDIMSKOGP-UHFFFAOYSA-N 433.726 5.578 30 10 IKEE Cc1sc(NC(=O)CCc2ncc(-c3ccc(Br)cc3)o2)c(C#N)c1C 1859741106 XKVSUKSKMWXLSS-UHFFFAOYSA-N 430.327 5.225 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)c1ccccc1Cl 1861024781 ZHNCBLMJLLWYNA-HXUWFJFHSA-N 427.054 5.448 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)c1cccc(OCC)c1)c1ccccc1 1861347536 FKOCOEFNWBARTO-RUZDIDTESA-N 438.612 5.813 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCC)NC(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1 1861421288 AIPYMJAUZGKYPM-HSZRJFAPSA-N 448.611 5.605 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)c1ccc(F)c(F)c1F 1861786864 XEGHYEYVJJIKHT-IBGZPJMESA-N 428.539 5.649 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(F)cc1F 1862380650 ILOQZVVTGOUGSU-GOSISDBHSA-N 440.273 5.650 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2ccc3c(c2)CCCN3C)cc1 1862394737 QHBNGLPMYAOTKV-VWLOTQADSA-N 446.591 5.400 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(Cl)cc1 1862416068 CECVZEOTVLAHOQ-XFPJRNFQSA-N 445.893 5.775 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2CCC(C)C)cc1 1862460009 QSIOEJVZEAPQLK-OAQYLSRUSA-N 447.453 5.127 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(F)cc1F 1862476966 GYVABBGHDPHUNP-CVDCTZTESA-N 441.518 6.210 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862477132 IJMZQGNOHLEDNI-IQGLISFBSA-N 436.511 5.816 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2cc(C)ccc2C)cc1 1862487135 TYXNNWLSXHTHSL-SANMLTNESA-N 439.555 6.007 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cc(Cl)cc(Cl)c1 1862499001 VULFFLOLYXZMJQ-HXUWFJFHSA-N 432.347 5.989 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccc(N(CC)CC)cc2)cc1 1862521869 SJVCBIJFZZRMPJ-XMMPIXPASA-N 448.563 5.062 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2cccc(O)c2)cc1 1862532703 IXAYZTSZLZLCSB-XMMPIXPASA-N 431.532 5.423 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc2cc[nH]c2c1 1862584298 VENINNIOXSZMBM-IBGZPJMESA-N 429.303 5.463 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862585331 UEGCETGXNFQJFR-SFHVURJKSA-N 449.290 5.280 30 10 IKEE O=C(O)c1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C2CCCC2)cc1 1862650800 DPYQWLCZJPTPJL-HSZRJFAPSA-N 441.483 5.059 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(Cl)cc3)C2=O)c1 1862791224 CLPZWBSPNDHOLU-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CC(C)c1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(Cl)cc3)C2=O)cc1 1862797626 OSPOZUBRJCKUTM-UHFFFAOYSA-N 441.918 5.732 30 10 IKEE Cc1ccc(Cl)cc1NC1=C(c2ccccc2Cl)C(=O)N(c2ccccc2C#N)C1=O 1863083825 VVMPRDIBVQVDKO-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(Nc3cccc(C#N)c3)=C(c3cc(C)ccc3C)C2=O)c1 1863402602 BBEVSEFAHGEQHK-UHFFFAOYSA-N 435.527 5.184 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(Cl)cc2C)=C(c2cccs2)C1=O 1863475896 REQJKXMOIAIZLL-UHFFFAOYSA-N 431.001 6.262 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccc(Cl)cc2)=C(c2ccccc2F)C1=O 1863647849 BHXJTBGNSFTUNI-UHFFFAOYSA-N 442.962 5.709 30 10 IKEE Cc1nc(Nc2cccc(C#N)c2)cc(N2CCC(c3nc4c(s3)CCCC4)CC2)n1 1868466771 CGMQWRKJJWOJPM-UHFFFAOYSA-N 430.581 5.120 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)C[C@@H](c1ccc(F)c(C)c1)C(C)C)c1ccccc1 1868713484 IIWXLXIINVMKFH-BVAGGSTKSA-N 436.571 5.322 30 10 IKEE CCCCCCCCn1cc(OCCCOc2ccccc2)c(=O)cc1CSC(C)C 1870171933 CKINLIJCTCEAEC-UHFFFAOYSA-N 445.669 6.698 30 10 IKEE C=CCn1cc(OCc2ccc(F)cc2)c(=O)cc1CNc1ccc(N(CC)CC)cc1 1871073898 WOFXCOYQGUYXDT-UHFFFAOYSA-N 435.543 5.211 30 10 IKEE CCCCCN1COc2ccc3c(c2C1)O/C(=C\c1cn(C)c2ccc(OC)cc12)C3=O 1871347118 ZSBCYXTYJXMZLI-MSXFZWOLSA-N 432.520 5.145 30 10 IKEE CC[C@@H](C)N1COc2c(cc3c(c2C)O/C(=C\c2cn(C)c4ccc(OC)cc24)C3=O)C1 1871353345 MJYUZCFFUMOZLK-VEKQOBIDSA-N 432.520 5.062 30 10 IKEE Cc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3cccc(Cl)c3)C4)C2=O)cc1 1871355443 LIRNUYOKHZJURJ-KSEXSDGBSA-N 431.919 5.925 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN([C@H]2CCCC[C@H]2C)C3)C1=O 1871356186 YTTICJALBRWRHW-LCYXVDTPSA-N 433.548 5.741 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc(OC(=O)/C(Cl)=C/c3ccccc3)c2C)C1=O 1871377388 IRVUKANTANEILP-CKBZXIGASA-N 436.916 6.166 30 10 IKEE O=C1/C(=C/C=C/c2ccccc2)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc21 1871378879 DTAFBUZNYDKSAF-LMKPGGDOSA-N 436.419 5.185 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc(OC(=O)c3ccc(-n4cccc4)cc3)c2C)C1=O 1871383911 HOVGJIWHIJBCGE-JCMHNJIXSA-N 441.508 5.991 30 10 IKEE CC(C)Oc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)c1 1871387865 CQJBTBRHIHICFL-FMCGGJTJSA-N 445.427 5.217 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1sccc1C)C2=O 1871402976 QRXMXAHCRSXYLJ-VVRYKASASA-N 447.556 5.950 30 10 IKEE Cc1cccc(OCCCOc2ccc3c(c2)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)c1 1871405765 PDWAQGOVZGAMAL-IMRQLAEWSA-N 442.555 6.757 30 10 IKEE CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1 1871408631 YARAGBMWCOFBFR-SDPDQUOZSA-N 443.499 5.416 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc(Cl)c4)cc(C)c3C2=O)c1 1871454460 LRPVVKYTDBMZBO-JJFYIABZSA-N 449.890 5.291 30 10 IKEE CCCCCCCCN=c1nc(N2C[C@H](C)C[C@@H](C)C2)[nH]c(=Nc2cc(C)cc(C)c2)[nH]1 1871550373 LVWRHEHYSIXIND-FGZHOGPDSA-N 438.664 5.331 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(C(C)(C)C)cc2)[nH]c(N(C)C)n1 1871555846 HRQXOQGFIDMMBU-UHFFFAOYSA-N 426.653 5.953 30 10 IKEE C=CCN([C@H](CCC)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872298380 QLKFQKFTNGXGSY-JOCHJYFZSA-N 449.016 5.249 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccccc1CC)S(=O)(=O)c1ccc(C)cc1 1872469365 OSDFLSJAGRAPCO-XMMPIXPASA-N 442.625 5.178 30 10 IKEE C=CCN([C@@H](CC(C)C)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1cc(C)ccc1C 1872547411 NYYNEFPHFYZPEQ-QHCPKHFHSA-N 442.625 5.150 30 10 IKEE N#C[C@@H](C(=O)c1cc2ccccc2oc1=O)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872759392 MZXBGMLCURZEEC-QFIPXVFZSA-N 448.503 6.074 30 10 IKEE N#C[C@H](C(=O)Cc1ccccc1Cl)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872759522 RDWCNGSCIDMPSO-OAQYLSRUSA-N 428.944 6.549 30 10 IKEE N#C[C@H](C(=O)/C=C/c1ccc(Cl)cc1Cl)c1nc(-c2ccc3ccccc3c2)cs1 1872760635 UGQVCFMKHNQFKG-CSNYQSHPSA-N 449.362 7.160 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)cc1C 1872784845 YUJXOFDNLLQNMQ-QGZVFWFLSA-N 436.449 5.042 30 10 IKEE COc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1 1872787342 HRKDRAXZBOQETL-NRFANRHFSA-N 428.513 5.399 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC2CCCCCCC2)=C(c2cccnc2)C1=O 1873079382 JXPVRCWFYFGCQL-UHFFFAOYSA-N 439.644 6.005 30 10 IKEE CCCCCCCCNc1ncnc2c1ccc(=O)n2-c1ccc(N2CCC(C)CC2)cc1 1873540742 UHRVEFTWVRCVHZ-UHFFFAOYSA-N 447.627 5.789 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(OC)cc2C)cc2c(NCc3ccccc3C)ncnc21 1873619115 ZFLYWLHACSEEHM-UHFFFAOYSA-N 441.535 5.107 30 10 IKEE C=CCSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1ccc(F)cc1F 1874209950 YRNBNPZVILHFMA-FSJBWODESA-N 449.324 5.070 30 10 IKEE CCc1ccc(OCCCc2nnc(SC)n2/N=C/c2ccc(Cl)c(Cl)c2)cc1 1874223263 BSHKIAUKIRVULG-ZVHZXABRSA-N 449.407 5.763 30 10 IKEE C=CCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1ccc(Cl)c(Cl)c1 1874296498 DPHBBNZWMYLWRB-WSDLNYQXSA-N 448.335 5.244 30 10 IKEE O=C(CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccccc1)Nc1ccccc1 1874364981 DXNZMTYSGJNWKD-MFKUBSTISA-N 447.951 5.212 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3F)n2/N=C/c2ccccc2)c1 1874375929 VKUXKYSLFPHHLC-JVWAILMASA-N 430.552 5.799 30 10 IKEE Cc1cccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCc2cc(C)ccc2C)c1 1874379786 MHGMLWFJVWURTD-LQKURTRISA-N 444.579 6.108 30 10 IKEE Fc1cccc(/C=N/n2c(CCc3ccccc3)nnc2SCCc2ccccc2)c1 1874403854 WMAONHMDHXEQPF-ZXVVBBHZSA-N 430.552 5.419 30 10 IKEE CCN(Cc1ccccc1)c1ccc(/C=N/n2c(SC)nnc2-c2ccccc2)cc1 1874425414 HTPICBWOEVUASS-NLRVBDNBSA-N 427.577 5.576 30 10 IKEE Cc1ccccc1CSc1nnc([C@@H]2CCCO2)n1/N=C/c1cn(C)c2ccccc12 1874443534 DZHZTDMYONKWEI-PWYGXMRTSA-N 431.565 5.104 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2[C@H]2CCCO2)cc1 1874449829 MNTUCPDKVGSBBO-QVGKIPNLSA-N 432.524 5.596 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3ccccc3F)nnc2C(C)(C)C)cc1 1874484166 IPWFXDBPLXXMBI-MFKUBSTISA-N 426.561 5.678 30 10 IKEE COc1cc(/C=N/n2c(CC(C)C)nnc2SCc2ccccc2)ccc1OC(C)C 1874490052 XPZDUZROYZPQRC-MFKUBSTISA-N 438.597 5.447 30 10 IKEE C=CCSc1nnc(CC(C)C)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1874490767 JJVYIXUNFUENKF-MFKUBSTISA-N 441.000 5.869 30 10 IKEE CC(C)COC(=O)CSc1nnc(C2CCC2)n1/N=C/c1ccc(Cl)cc1Cl 1874497452 KOUHVCCMDZLJBM-LSFURLLWSA-N 441.384 5.026 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1cc(OC)ccc1OC 1874511214 PBCJNVOESIYCJV-YDZHTSKRSA-N 430.961 5.076 30 10 IKEE Cc1ccc(C)c(COc2ccc(Cl)cc2/C=C/C(=O)c2ccc3ccccc3c2)c1 1874571412 MARYMPQFNMXGDR-ACCUITESSA-N 426.943 7.585 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(C)c2)c1 1874572404 LJZBRMXCWUWMQU-DHZHZOJOSA-N 449.934 5.879 30 10 IKEE CCN(CC)C(=O)COc1ccccc1/C=C/C(=O)c1ccc(Oc2ccccc2)cc1 1874584984 HIENITHXAUHKKE-KNTRCKAVSA-N 429.516 5.622 30 10 IKEE C=C(C)COc1c(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)cc(Cl)cc1OC 1874592322 JONVGBABLZMMGR-VQHVLOKHSA-N 432.900 5.225 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1ccc2c(c1)CCCC2 1874604048 RUHXGAJVCADDMQ-RIYZIHGNSA-N 437.366 7.347 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)cc1C 1874607600 VRAFESXXKPHKNB-UKTHLTGXSA-N 429.516 5.534 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Br)cc1 1874608151 ZBGSSXVXAXGUMO-LHHJGKSTSA-N 438.277 5.832 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OCC(=O)Nc1ccc(C)cc1 1874617787 TZIRJRVQSUGFFI-NTEUORMPSA-N 443.543 5.924 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1Cl 1874622518 HLHVECFWZYHQRV-OQLLNIDSSA-N 434.963 7.121 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 1874634560 IOIKGXIYLYNBSZ-KPKJPENVSA-N 437.879 6.040 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)ccc1OCc1cc(C)ccc1C 1874635880 XXOOEISJEISXMZ-SDNWHVSQSA-N 442.599 7.393 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(-n3cccc3)cc2)c1)c1ccc(Cl)cc1 1874700892 RGMVGLOZOGHBPH-GIDUJCDVSA-N 427.887 6.246 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(-n4cccc4)cc3)c2)cc1 1874701568 ZCGGHPMOSKCFMN-CAOOACKPSA-N 437.495 5.991 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(OC)c1OC(=O)Cc1ccccc1 1875104208 LPVPVHVVAKGWMP-CCEZHUSRSA-N 442.511 5.477 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cccs3)c(Cl)c2)cc1 1875106897 QDWTWOPRPXKTQE-UKTHLTGXSA-N 438.976 6.788 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OC(=O)Cc1ccc(OC)cc1 1875112545 CSXAISDCLSMMLH-VIZOYTHASA-N 446.499 5.147 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Br)c1OC(=O)C(F)(F)F 1875128848 XNXRJDAYHGMXSH-CMDGGOBGSA-N 443.215 5.212 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)[C@H]1C[C@H]1c1ccccc1Cl 1875129053 IQKVDISIVOSQPM-SLQGVETNSA-N 432.903 5.954 30 10 IKEE CCCCC(=O)Oc1c(OCC)cc(/C=C/C(=O)c2ccc(C)cc2C)cc1[N+](=O)[O-] 1875133874 KFSQOKXRLGRFMJ-ZRDIBKRKSA-N 425.481 5.602 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc([N+](=O)[O-])c1OC(=O)c1ccco1 1875156916 OMSVXJVMDYJEMB-KPKJPENVSA-N 449.459 5.825 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)C(F)(F)F 1875183122 LTODKQQODLRIMF-VOTSOKGWSA-N 440.845 6.028 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)c2cnccn2)c(Cl)c1 1875184075 HWIOCEUELJNIQI-RMKNXTFCSA-N 434.923 5.851 30 10 IKEE Cc1cc(NC(=O)C2CCN(c3oc(-c4cccs4)nc3C#N)CC2)ccc1Cl 1890477763 KIJODJGAEDCZMX-UHFFFAOYSA-N 426.929 5.092 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1[C@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]1C 1910886380 DNDCAPVXWAUZNN-LPHRJVMESA-N 430.633 5.409 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C 1922067155 ZKKGQUVAGKHEIZ-JWQCQUIFSA-N 438.612 5.264 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@]2(C)CCN2C(=O)OC(C)(C)C)c1 1999896499 IRBZWGDDNYHBBU-BJKOFHAPSA-N 429.561 5.418 30 10 IKEE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)c2ccc(C#N)c(C(F)(F)F)c2)C1 2006276440 KEYQHGSWYKHDLF-UHFFFAOYSA-N 431.458 5.203 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@H]1CC[C@@](F)(CNC(=O)OC(C)(C)C)CC1 2008941396 APZCHXHJRMHYKW-HWBMXIPRSA-N 434.596 5.161 30 10 IKEE C/C=C1/C(=O)[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCC(=O)OC)[C@@]2(C)CC[C@H](O)C[C@H]12 2037854511 SXDZXAFUWCERDJ-UCXZMYQKSA-N 430.629 5.331 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCC1)[C@]1(C#N)CN(Cc2ccccc2)C2(CCCCC2)C1 2038674428 RYXABJIRIZMTKH-HHHXNRCGSA-N 437.628 6.037 30 10 IKEE C#CC[C@@H](NCCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071348169 VUHLOYNTLDDRSE-NAKRPHOHSA-N 429.560 5.270 30 10 IKEE CC#CCCCC[C@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2075369789 HZBUVYSJPKZIIG-RPLLCQBOSA-N 441.660 5.108 30 10 IKEE CC[C@@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(C)(C)C)c(C#N)c1Br 2080035135 QOMCNIZZHOOYLX-AWEZNQCLSA-N 432.259 5.972 30 10 IKEE CCCc1ccc([C@@H](n2nc(C(C)C)c(C#N)c2I)C(C)(C)C)cc1 2080043150 QESLYHSDTIWMJQ-LJQANCHMSA-N 449.380 6.071 30 10 IKEE C=CCCCCCCCCC[C@H](N)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2086280565 IROUNJLCZNKOCX-VJTSUQJLSA-N 446.676 6.509 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1cc(Cl)ccc1Br 2124449042 PICLWVPNMPEZLC-AWEZNQCLSA-N 444.757 5.018 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NC)c2ccc(Br)c(Cl)c2F)C1 2126685679 UDAPEBFSHOLGCD-INIZCTEOSA-N 447.776 5.363 30 10 IKEE CC(C)(C)OC(=O)N(CCNc1ccc(C#N)c(Br)c1)C1CCCCCC1 2162420724 YVLORNGGKPZSGB-UHFFFAOYSA-N 436.394 5.693 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)[C@H]1C[C@H]1c1ccccc1 2200291621 FDYWAJJRSNSHCR-ABSDTBQOSA-N 427.342 5.886 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(F)cc(F)cc1Br 2225594617 CFFREHNSCFHHKC-NVXWUHKLSA-N 433.337 5.237 30 10 IKEE N[C@@H](C#Cc1ccccc1Br)c1cccc(Br)c1Br 2227474966 TWZYSIZZIGFEJV-AWEZNQCLSA-N 443.964 5.026 30 10 IKEE C=CCC[C@@H](C)[C@H](NC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229109244 HOOPUPGBJHZBBP-LZQZEXGQSA-N 425.411 5.075 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CC(=O)C#Cc2ccccc2Br)CC1 2235721775 JEPVYPGQNFGFQA-QAQDUYKDSA-N 434.374 5.091 30 10 IKEE CN[C@@H](C#Cc1ccccc1Br)c1cc(NC(=O)OC(C)(C)C)ccc1F 2235733720 VGWZFLJCNPKGJM-IBGZPJMESA-N 433.321 5.247 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)cc1CC 2237539254 IIFDCXSBUBABMG-VQTJNVASSA-N 439.438 5.912 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1c(F)ccc(F)c1F 2239740077 XKUONCSZJGHECK-HNNXBMFYSA-N 441.247 5.873 30 10 IKEE COc1cc(Nc2c(Br)cccc2C#N)ccc1CNC(=O)OC(C)(C)C 2285185301 YSZIFUNOEUEVIP-UHFFFAOYSA-N 432.318 5.098 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)C[C@H](NC(=O)OC(C)(C)C)C(C)C 2296266853 MTDXGKWHWGHBOF-PMACEKPBSA-N 437.422 5.108 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C=C[C@H](O)C#Cc2ccc(Br)cc2)cc1 2296277761 WDFLABKGFAPMCI-HXUWFJFHSA-N 428.326 5.222 30 10 IKEE CCN=C1S[C@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)C(=O)N1C1CCCCCC1 2297451513 HSUVZLRXKILBAM-QGZVFWFLSA-N 442.412 5.365 30 10 IKEE COc1cc(C=NNc2ccc(C(=O)O)cn2)ccc1OCc1ccc(Cl)c(Cl)c1 2318413808 VYUAWUIIHGSNKM-UHFFFAOYSA-N 446.290 5.120 30 10 IKEE Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)C=Cc3ccc(F)cc3)cc(C)c2c1 2320450750 OWMNMVAFBQTYEJ-UHFFFAOYSA-N 425.467 5.008 30 10 IKEE Cc1ccc(C)c(COc2cc(C)c3c(c2)OC(=Cc2ccc(-c4ccccc4)cc2)C3=O)c1 2321759923 MPXDIBGIYARGCT-UHFFFAOYSA-N 446.546 7.474 30 10 IKEE Fc1cccc(Cl)c1COc1ccc(C=Nn2c(S)nnc2-c2ccccc2)cc1 2321944856 OPUXXCXWDRJXDR-UHFFFAOYSA-N 438.915 5.488 30 10 IKEE COc1cccc(C=C2Oc3c(cc4c(c3C)OCN(C3CCCCC3)C4)C2=O)c1OC 2322328599 DYEWVSDJXYCWFN-UHFFFAOYSA-N 435.520 5.113 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccccc1OCC(=O)Nc1cc(C)ccc1C 2322638388 GFVOQIFBLKWABC-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE Cc1ccc(NC(=O)COc2ccccc2C=CC(=O)c2c(C)c(C)cc(C)c2C)c(C)c1 2322833111 PHGGYZRQXUXWRU-UHFFFAOYSA-N 441.571 6.451 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)c4cc5cc(Cl)ccc5o4)ccc3C2=O)cc1 2322845611 ZUGWNEBXPIVSKY-UHFFFAOYSA-N 444.870 6.484 30 10 IKEE CCCOC(=O)COc1ccc2ccccc2c1C=CC(=O)c1cc(C)cc(C)c1OC 2322846717 ISQCSQARWHYTMZ-UHFFFAOYSA-N 432.516 5.693 30 10 IKEE Cc1cc(OC(=O)c2cc3cc(Cl)ccc3o2)cc2c1C(=O)C(=Cc1cccnc1)O2 2322847274 RXEXKAAWWQJXDB-UHFFFAOYSA-N 431.831 5.625 30 10 IKEE CCOC(=O)c1ccc(COc2cccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)c2)o1 2323259477 MZMWGVGUUVTEQT-UHFFFAOYSA-N 432.516 6.165 30 10 IKEE CCc1ccccc1NC(=O)COc1cccc(C=CC(=O)c2ccc(OC)c(Cl)c2)c1 2323310265 JETHMJDVXFXLAS-UHFFFAOYSA-N 449.934 5.825 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccccc3OC)cc2Cl)cc1 2323701466 QDZFFVLTLIDUDO-UHFFFAOYSA-N 449.934 5.825 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OCC(=O)Nc1ccccc1C 2323865479 HGORQFKFAPINQG-UHFFFAOYSA-N 443.543 5.924 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OCC(=O)N[C@@H](C)c1ccccc1 2323873109 SKARQKPJISASAA-NRFANRHFSA-N 443.543 5.464 30 10 IKEE CCOc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 2324356737 QVHKYOCJZYVGPP-QHCPKHFHSA-N 428.557 5.977 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OCC(=O)Nc2cccc(C)c2)cc1 2324693867 PBBRVMBELAUJCS-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c(OC)c2OC)ccc1OCc1ccc(C)cc1 2324726050 JIJBFGXIHKSYDJ-UHFFFAOYSA-N 448.515 5.505 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCCC(=O)Nc4ccc(C)cc4)cc(C)c3C2=O)cc1 2325226086 BUWHJSFOHLKUET-UHFFFAOYSA-N 427.500 5.636 30 10 IKEE Cc1ccc2nc(-c3ccc(NC(=O)C(=O)C=Cc4ccc(Cl)cc4)cc3)sc2c1 2325480227 RMQNPPXQMFBJMB-UHFFFAOYSA-N 432.932 6.146 30 10 IKEE Cc1cccc(C)c1OCC(=O)Oc1cccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)c1 2325722660 ABNIOHFFIPDDIQ-UHFFFAOYSA-N 431.444 5.092 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccc(C(C)C)cc2)C3=O)c1 2325727346 NZUJUDISRSSXSU-UHFFFAOYSA-N 441.527 6.061 30 10 IKEE CCCCOc1cccc(C=Nn2c(CCC)nnc2SCc2ccccc2F)c1 2326272543 VBPOMJWRBUUZCC-UHFFFAOYSA-N 426.561 5.723 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1N=Cc1cccc(Cl)c1Cl 2326389358 YAZYUYOPPSPWKK-UHFFFAOYSA-N 433.408 6.410 30 10 IKEE CCOc1ccc2ccccc2c1C=Nn1c(CC)nnc1SCc1cc(C)ccc1C 2326590577 BQSMHQKRJSSFCB-UHFFFAOYSA-N 444.604 6.184 30 10 IKEE CCCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc(Cl)cc1 2326619576 MLJDGOZQJZYTCL-UHFFFAOYSA-N 434.996 6.254 30 10 IKEE COc1c(Cl)cc(C=Nn2cnnc2SCc2cccc3ccccc23)cc1Cl 2326632635 JVKFZJYOSWQINZ-UHFFFAOYSA-N 443.359 5.921 30 10 IKEE Clc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2ccncc2)cc1 2327557818 JXCQKUIMHOGCIT-UHFFFAOYSA-N 435.940 5.080 30 10 IKEE CCOc1c(C=Nn2c(Cc3cccc4ccccc34)nnc2SC)cccc1OC 2327702728 NLMRORCPMKSHGK-UHFFFAOYSA-N 432.549 5.034 30 10 IKEE CCCCOc1ccc(C=Nn2c(COc3c(C)cccc3C)nnc2SCC)cc1 2328554939 RLRWTIITCUHSHC-UHFFFAOYSA-N 438.597 5.647 30 10 IKEE O=[N+]([O-])c1ccccc1C=Nn1c(SCc2ccccc2)nnc1-c1ccccc1Cl 2329573018 UJOZJQCVTXZURH-UHFFFAOYSA-N 449.923 5.681 30 10 IKEE Fc1cccc(C=Nn2c(SCCc3ccccc3)nnc2-c2ccccc2Cl)c1 2329587159 ROUOKNSGLSEDOK-UHFFFAOYSA-N 436.943 5.955 30 10 IKEE CCc1ccc(C=Nn2c(Cc3ccc(C)cc3)nnc2SCc2cccc(C)c2)cc1 2329947322 PIKRUORIUMDOIV-UHFFFAOYSA-N 440.616 6.223 30 10 IKEE Cc1ccccc1CSc1nnc(CC2CCCCC2)n1N=Cc1ccc(Cl)cc1 2330232791 YYSGBXJTJXJJGU-UHFFFAOYSA-N 439.028 6.537 30 10 IKEE Cc1cccc(C=Nn2c(CC(C)(C)C)nnc2SCc2c(F)cccc2Cl)c1 2330881355 DWCJXPZOPUVTGU-UHFFFAOYSA-N 430.980 6.142 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@H]3CCCO3)n2N=Cc2ccc(F)cc2F)c1 2330961488 DDDWIHYFPLBMIH-HXUWFJFHSA-N 428.508 5.199 30 10 IKEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)Cc1ccc(C)c(C)c1 2331046480 FWCHOSHUCMPXNY-UHFFFAOYSA-N 445.471 5.264 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)cc(Cl)c1OC(=O)CCCSC 2331070830 PVCBBEAHDRZJOR-UHFFFAOYSA-N 448.968 5.692 30 10 IKEE O=C(CSc1nnc(C2CCCC2)n1N=Cc1ccc(Cl)cc1)NC1CCCCC1 2331079283 ILXMTQPKETYUSO-UHFFFAOYSA-N 446.020 5.012 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SCC)nnc2C(F)(F)F)cc1OCC 2331129569 HMPRQHLBDBIBIQ-UHFFFAOYSA-N 430.496 5.259 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc(Br)c2)cc1)c1ccc(Cl)cc1 2331138371 WRUQYYSBEVGTSJ-UHFFFAOYSA-N 441.708 6.218 30 10 IKEE O=[N+]([O-])c1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2-c2ccco2)cc1 2331228620 VJUCBGPIDZOMGB-UHFFFAOYSA-N 439.884 5.274 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Br)c1OC(=O)C(C)C 2331231827 HJTYMKWUOSKYRV-UHFFFAOYSA-N 445.353 5.922 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)CCOc1ccccc1 2331236574 HLWJXNVZISADMW-UHFFFAOYSA-N 430.500 5.583 30 10 IKEE COCCc1nnc(SCc2ccccc2F)n1N=Cc1c(Cl)cccc1Cl 2331282057 YHZMNAOBHDMWKS-UHFFFAOYSA-N 439.343 5.087 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1N=Cc1ccc(CC)cc1 2331352422 SUIMMOAYEZZHJX-UHFFFAOYSA-N 449.624 5.413 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OC(=O)c1cncc(C)c1 2331480881 MZDQZCRJDMRFGH-UHFFFAOYSA-N 437.495 6.057 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])cc1 2331530286 PPDOWDPPCUACNA-UHFFFAOYSA-N 447.462 5.731 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2cc(C)c(OC)cc2C)cc1[N+](=O)[O-] 2331851151 OHWKVYMHONZCDN-UHFFFAOYSA-N 439.508 5.992 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cc(Cl)ccc3Cl)cc2)cc1 2331859104 OGKJIAVOKUWIKE-UHFFFAOYSA-N 441.310 6.507 30 10 IKEE O=C1/C(=C/Nc2cccc(F)c2)S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccsc21 20575732 BGNAUJZHPGAUOR-WQRHYEAKSA-N 448.928 5.027 30 10 IKEE O=C1C[C@@H](c2c(F)cccc2Cl)C2=C(C[C@@H](c3ccc(Cl)c(Cl)c3)CC2=O)N1 21231398 NGEPVFHGPBBAMI-NEPJUHHUSA-N 438.713 5.790 30 10 IKEE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)/C=C\c3ccc4c(c3)OCO4)cc2)cc1 35211524 PTJPHWXNWPBHDJ-CPSFFCFKSA-N 427.500 5.861 30 10 IKEE O=C(/C=C/c1ccco1)Nc1cccc(C(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)c1 39850985 WZGZKQMBDIGEOK-WZDZGYJVSA-N 443.886 6.741 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)S/C1=N/c1cccc(C)n1 39863432 KUWIWTSFVNHNOJ-KJSLDKNGSA-N 435.936 6.093 30 10 IKEE C=CCc1ccccc1OCCn1c(CCNC(=O)c2ccccc2C)nc2ccccc21 40199481 KPWCFWBFSGDZKK-UHFFFAOYSA-N 439.559 5.125 30 10 IKEE C=CCc1ccc(OCCCCn2c(-c3ccccc3Cl)nc3ccccc32)c(OC)c1 40250590 HWMOZOFNRWVAIX-UHFFFAOYSA-N 446.978 6.953 30 10 IKEE CC(=O)C1=C(C)Nc2nc(SCc3ccccc3)nn2[C@@H]1c1ccc(C(C)(C)C)cc1 54642199 JGSONDNEFBDLHU-JOCHJYFZSA-N 432.593 5.746 30 10 IKEE CCCCCCOc1ccc(/C=N/Nc2nnc3c(n2)[nH]c2ccc(C)cc23)cc1OC 64981382 ODWBGYRLLXAFAQ-MFKUBSTISA-N 432.528 5.228 30 10 IKEE CCOc1cc(/C=C\C(=O)c2sc(C)nc2C)ccc1OCC(=O)Nc1ccccc1 97053749 SUOLTEWZPRVXGI-BENRWUELSA-N 436.533 5.072 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)cc1 100323316 GPMXPGWVJAHLOL-UHFFFAOYSA-N 430.548 6.540 30 10 IKEE COC(=O)c1ccc(/C=C2/S/C(=N/c3c(C)cccc3C)N(c3ccccc3)C2=O)cc1 102120577 CMLPCGAZLNCEMU-ORVRKZHRSA-N 442.540 5.899 30 10 IKEE O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccc(Cl)cc2)/C1=C(/O)c1ccc(Cl)cc1 103106184 WWDCRQJPUJPTGX-LCPUNJGISA-N 439.298 5.010 30 10 IKEE CCOC(=O)N1C/C(=C/c2cccc3ccccc23)C(=O)/C(=C/c2cccc3ccccc23)C1 108650287 KCXADVDUJSRDAW-WTHRLWDASA-N 447.534 6.501 30 10 IKEE COc1ccc(-c2nc3cc(N/C=C4\C=C(C)C=C(Br)C4=O)ccc3o2)cc1 135998335 JVNXPYGYDVRZDT-NTCAYCPXSA-N 437.293 5.607 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1cccc(S(=O)(=O)O)c1 141827287 YUZOSDXDPGVVOS-UHFFFAOYSA-N 439.662 7.133 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1OC 169884456 BQKRKMHCGCFSNI-NCELDCMTSA-N 427.614 6.145 30 10 IKEE Sc1nnc(COc2ccccc2)n1/N=C\c1ccc(OCCCc2ccccc2)cc1 169914275 HOBJHSWSHSLUHM-ITYLOYPMSA-N 444.560 5.040 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2cccc(C)c2)c1 169966018 MUBBAZSNKFHBOF-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@H]2c2cccnc2)c(C)c1 170009258 WRELRDVCZFCSGL-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C2CCCCC2)cc1 170031773 YHGZEYOMAQLRTI-JOCHJYFZSA-N 439.939 5.650 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccccc2)c1 170047106 DKHVINKYKAFUHI-XMMPIXPASA-N 445.490 5.706 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2ccc(Cl)cc2)=C(N2CCC(C)CC2)C1=O 170069317 BHQCOJYPGZDYPE-UHFFFAOYSA-N 445.047 6.293 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2OC)cc1C 170123882 JPJVYGNIRHRXLA-DEOSSOPVSA-N 449.547 5.313 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)cc(Cl)c2OC)[C@@H]1c1cccc(C)c1 170147040 YVRCUMIKMUBRCJ-SFHVURJKSA-N 434.319 5.299 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1cccs1)c1ccc(Cl)c(Cl)c1 170157340 SNIINDPFSMJZDF-GOSISDBHSA-N 446.311 5.543 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccs1 170160007 GEEORCGSVHBIKS-IBGZPJMESA-N 425.893 5.193 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2cccs2)cc1C 170160474 HJCBPULFFDIFKS-QFIPXVFZSA-N 449.528 5.252 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2cccnc2)ccc1Cl 170187281 BJPKEERFFZVLPJ-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2)ccc1Br 170233824 OWYJCRFQZDUPRH-FQEVSTJZSA-N 440.337 5.278 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccc2F)cc1C 170248672 ZGUFIBZWSKFWBK-XMMPIXPASA-N 445.490 5.542 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2C)cc1Cl 170275390 FEHXVOIZHNFMBB-JOCHJYFZSA-N 439.939 5.568 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(OCC(C)C)cc2)=C(O)C(=O)N1C1CCCC1 170278454 ZFWMBELJTCSARM-DEOSSOPVSA-N 433.548 5.551 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccco2)cc1 170281699 JERUYTZWOLMICA-JOCHJYFZSA-N 435.451 5.236 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(C)o2)c1 170302222 VCXYWZKVOQYGNI-BXKMTCNYSA-N 443.499 5.311 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1sccc1C 170314977 BIDRSWSBTLHLBZ-QFIPXVFZSA-N 445.584 6.445 30 10 IKEE C=CCOc1cccc([C@@H]2C(C(=O)c3cc(C)cc(C)c3OC)=C(O)C(=O)N2CCCC)c1 170324061 HZXGXAZXASYBKP-HSZRJFAPSA-N 449.547 5.255 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccccc1 170379509 KHDJRGOZPDCRLU-HXUWFJFHSA-N 442.273 5.915 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccc(OC(C)=O)c2)cc1 170407962 LQUFPWQQULGJOF-QFIPXVFZSA-N 447.512 5.019 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(OCc2ccccc2)cc1 170437934 LUPUDCPVTBJFIZ-AREMUKBSSA-N 441.527 5.781 30 10 IKEE CCCC[C@@H](CC)COC(=O)Nc1c(C#N)cnn1-c1cc(C)c2cccc(OC)c2n1 170509571 PAODJWLQIGKNFE-QGZVFWFLSA-N 435.528 5.374 30 10 IKEE CCCCCCCCCCOc1ccc(-c2ncc(CCCCCCCCC)cn2)cc1 199935345 NAZHQANDCXEZMC-UHFFFAOYSA-N 438.700 8.956 30 10 IKEE O=C(Nc1sc(NN=Cc2ccc(O)cc2)nc1-c1ccc(F)cc1)c1ccccc1 254397628 ZBCWDCGLGKVERF-UHFFFAOYSA-N 432.480 5.353 30 10 IKEE CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)SC1=Nc1ccc(OCC)cc1 254742341 VHOWKWWTWXMHIJ-JSYGVCDLSA-N 439.606 5.860 30 10 IKEE COC(=O)c1ccc(COc2ccccc2C=NN=C(c2ccccc2)c2ccccc2)cc1 254833425 DSIIHIQCBBVYDA-UHFFFAOYSA-N 448.522 5.924 30 10 IKEE Oc1ccc2ccccc2c1C=Nn1c(-c2ccccc2F)csc1=NC[C@@H]1CCCO1 254867328 FXLBHEGZRSUEMV-SFHVURJKSA-N 447.535 5.176 30 10 IKEE O=C1/C(=C/c2cccc(F)c2)SC(=Nc2cccc3ccccc23)N1C[C@@H]1CCCO1 263629032 PUHJTEZAQSLHBG-QBLLILLHSA-N 432.520 5.762 30 10 IKEE N#Cc1cc(Sc2nnc(-c3ccc(OC(F)F)cc3)o2)nc2ccc(Cl)cc12 301925272 IPJRHUHHHZUCGD-UHFFFAOYSA-N 430.823 5.562 30 10 IKEE CCc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(Sc3ccccc3)C2=O)cc1 526657382 MCOUEOJOIFPDJU-UHFFFAOYSA-N 425.513 5.110 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C1 724090285 DMWLLVSEMCDXTC-HXOBKFHXSA-N 449.617 5.462 30 10 IKEE Cc1ccc(/N=C2/S[CH][C@H](c3ccc(Cl)cc3)N2CCN2CCOCC2)c(C)c1 1614382081 NBHXTILCQJYGGM-SCXRQHMSSA-N 429.009 5.228 30 10 IKEE C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1705721599 LQJCSSXQJQSLRF-GOSISDBHSA-N 448.596 5.133 30 10 IKEE Cc1cccc(N=C2S/C(=C/C=C\c3ccccc3[N+](=O)[O-])C(=O)N2c2ccccc2)n1 1772738453 RYEXVQYMQXWBNB-GWYJMLIYSA-N 442.500 5.663 30 10 IKEE Cc1ccc(-n2cc(/C=N\NC(=S)Nc3cccc(C)c3)c(-c3ccc(F)cc3)n2)cc1 1857811941 KYAJMWAQLQCYAK-DICXZTSXSA-N 443.551 5.616 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)O[C@H](C)C(=O)OC2CCC(C(C)(C)C)CC2)c1 1859883698 YLOQSAZIWJXYQY-HOHBBMLPSA-N 429.601 6.218 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCC)NC(=O)CCCOc1ccc2ccccc2c1 1861697007 GKNZPNZLQOTMNC-RUZDIDTESA-N 440.628 5.760 30 10 IKEE COc1c(Cl)cc(-c2nc3ccc(C(=O)Nc4cccc(C#N)c4)cc3[nH]2)cc1Cl 1861860498 GRGNNZWJOWGYJD-UHFFFAOYSA-N 437.286 5.669 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc3c(c2)CCCC3)n(-c2ccc(Cl)cc2)n1 1862359514 ZPAXYAQGHIXOCA-UHFFFAOYSA-N 431.967 5.886 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccccc1)c1ccc(Cl)cc1Cl 1862379733 JJJXTIIIRGLAFO-FQEVSTJZSA-N 439.298 5.167 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(F)cc1)c1ccc(Cl)cc1Cl 1862382696 ORWOYMJORYRKGU-FQEVSTJZSA-N 448.321 6.044 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(CC)cc2)cc1 1862390715 KOILKQIBTUBICX-ZCYQVOJMSA-N 447.575 5.349 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(N(C)C)cc2)cc1 1862394958 LEFSPQTYCZAXMT-RUZDIDTESA-N 446.591 5.616 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2ccc(F)cc2F)cc1 1862395735 XFEIDKFUCZFXCQ-NYHFZMIOSA-N 427.491 5.684 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2ccccc2C)cc1C 1862400624 IZHUUHNAXRJMGF-HSZRJFAPSA-N 447.556 5.195 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccc(F)cc1)c1ccccc1Cl 1862430382 JFLUDDOJQKOCGR-NRFANRHFSA-N 427.903 5.780 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(Br)cc2)=C(O)C(=O)N1CCC(C)C 1862468477 PWLQZIVQZHFXCE-HXUWFJFHSA-N 442.353 5.382 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccco2)cc1 1862512448 WDVCZHHHHWBKGN-QHCPKHFHSA-N 449.478 5.294 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862516277 KRYKLIOBFVYILU-QHCPKHFHSA-N 432.520 5.191 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCCc3ccccc3)[C@H]2c2cccc(F)c2)c1 1862555526 FKFLRQKQBCYHMA-DEOSSOPVSA-N 444.506 5.009 30 10 IKEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 1862620274 OUUKRWNHYYSAFZ-HSZRJFAPSA-N 449.591 5.506 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc(F)c1 1862650252 RFNIADFOIBERCU-HGMMTPDKSA-N 443.518 6.136 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 1862662110 HQTWPIIARSYUHM-RUZDIDTESA-N 443.518 5.770 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccccc1F)c1ccc([N+](=O)[O-])cc1 1862746308 CPFURCONWLQXSL-NRFANRHFSA-N 438.455 5.035 30 10 IKEE C=CCN1C(=O)C(Nc2cc(C(F)(F)F)ccc2Cl)=C(c2ccc(F)cc2F)C1=O 1863320965 LETWBZTZVAQOGY-UHFFFAOYSA-N 442.771 5.015 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(C)c(C)c2)C(=O)N(CCCN(C)C)C1=O 1863605431 RRQJAHOZXFPOCA-UHFFFAOYSA-N 441.660 5.065 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H](C)c2ccccc2)=C(c2ccc(OC)cc2)C1=O 1863671191 LFJLNMRRTZWJIX-HXUWFJFHSA-N 434.580 5.486 30 10 IKEE CCCCCCCCCCNC(=O)Cc1nc(-c2cccc(Br)c2)oc1C 1868196250 GGSBDGXVMNCNSZ-UHFFFAOYSA-N 435.406 6.212 30 10 IKEE Cc1ccccc1-c1nc(Nc2ccc(C#N)cc2)cc(N2CCO[C@@H](c3cccnc3)C2)n1 1868310584 ARWAYYUKBMBNRC-XMMPIXPASA-N 448.530 5.040 30 10 IKEE Cc1ccc(C(=O)CCC(=O)Nc2c(C#N)nnn2-c2ccc(-c3ccccc3C)cc2)cc1 1870143861 FUKYMZMGJUAIFL-UHFFFAOYSA-N 449.514 5.024 30 10 IKEE CCOc1cn(Cc2cccc(C)c2)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870237248 OYWRYHJYEOCXRD-UHFFFAOYSA-N 433.577 5.088 30 10 IKEE CCCCCCCCCCn1cc(OCCOC(C)C)c(=O)cc1CSCCO 1870294829 VZWOEZIFVKZQGE-UHFFFAOYSA-N 427.651 5.018 30 10 IKEE CCCCCCCOc1cn(CCOC)c(CN(CCCC)CCCCCC)cc1=O 1870408913 CTLHKRKYMHJDMT-UHFFFAOYSA-N 436.681 6.026 30 10 IKEE CCCCCCCCn1cc(OCc2c(C)noc2C)c(=O)cc1CN(CCC)CCC 1870565603 PDLXRLUWCDKUCB-UHFFFAOYSA-N 445.648 6.015 30 10 IKEE C=CCOc1cn(CCCOCCCC)c(CNc2ccc(OCCCC)cc2)cc1=O 1870810454 DCWIJMVKSDISIK-UHFFFAOYSA-N 442.600 5.411 30 10 IKEE C#CCOc1cn(CCCCCC)c(CNc2ccc(N3CCC(C)CC3)cc2)cc1=O 1871009016 ZIHFMDSCKMPLIY-UHFFFAOYSA-N 435.612 5.289 30 10 IKEE CCCCCCCCn1cc(OCCC)c(=O)cc1CNc1cccc(C(C)(C)C)c1 1871105040 DLFJFRODMSKRLC-UHFFFAOYSA-N 426.645 6.907 30 10 IKEE C=CCn1cc(OCCCOc2cccc(C)c2)c(=O)cc1CNc1ccc(OCC)cc1 1871219822 OAELWTOIVUEOKO-UHFFFAOYSA-N 448.563 5.201 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc4c3CN(C35CC6CC(CC(C6)C3)C5)CO4)C2=O)c1 1871353283 OTNDOGGZERBXOP-GATIEOLUSA-N 427.544 5.732 30 10 IKEE CCc1ccc([C@@H](C)N2COc3cc(C)c4c(c3C2)O/C(=C\c2ccccc2)C4=O)cc1 1871354552 TZEPWDVTVKXIDT-MGKUZBKYSA-N 425.528 6.087 30 10 IKEE Cc1cccc(CN2COc3c(cc4c(c3C)O/C(=C\c3c(F)cccc3Cl)C4=O)C2)c1 1871359625 SZRBHNAXWXDFBU-KSEXSDGBSA-N 449.909 6.064 30 10 IKEE CCCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871391412 ZWVQHOAYELLZOY-IWIPYMOSSA-N 442.467 5.536 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OCCOc4ccccc4)cc(C)c3C2=O)c2ccccc21 1871397004 DQIJBDKRCXGTAR-QQXSKIMKSA-N 439.511 6.044 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCCCOc4ccccc4)cc(C)c3C2=O)c(OC)c1 1871397478 SUDDTOPSPBCVAK-MYYYXRDXSA-N 446.499 5.476 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(O[C@H](C)C(=O)Nc3ccc(F)cc3)ccc2C1=O 1871400578 FQGXFSNPTBLCCL-DNPFKWNUSA-N 447.462 5.247 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2cccs2)C3=O)cc1 1871412694 ZFZWKUKGJYPBRG-PJMHOZITSA-N 435.501 5.087 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(Br)cc2)[nH]c(N(CC)CC)n1 1871474150 QFAPSKQDNHFAMF-UHFFFAOYSA-N 449.441 5.418 30 10 IKEE CCCCCCCCCCN=c1nc(N2CCCCCC2)[nH]c(=Nc2ccccc2C)[nH]1 1871484029 GGRKLYDLTCNPQC-UHFFFAOYSA-N 438.664 5.700 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(CC)cc1)[C@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872101162 YYXPQRUZAVQXPW-HOYKHHGWSA-N 442.625 5.096 30 10 IKEE C=C(C)CN([C@H](C)C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)S(=O)(=O)c1ccccc1 1872322289 RRMDHLXNKBWSIH-HXUWFJFHSA-N 442.625 5.527 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Cl)cc1C)C(C)C)S(=O)(=O)c1ccc(C)cc1 1872488732 QAKRRVAJNWLFQJ-JOCHJYFZSA-N 449.016 5.187 30 10 IKEE CC(C)(C)N1C[C@@H](C(=O)[C@H](C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)CC1=O 1872759031 BHAQIJZBRHEXAS-SFTDATJTSA-N 443.572 5.300 30 10 IKEE CC(C)c1ccc(O[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 1872772821 IAZZGENWLOHHJY-FDDCHVKYSA-N 446.616 6.875 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(C)cc2C)=C(c2cccnc2)C1=O 1873265568 QKXAFTUKGSNLQW-UHFFFAOYSA-N 433.596 6.031 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(F)cc1)n2CCCC 1873621234 LZPQODGCXJHMPK-UHFFFAOYSA-N 439.579 6.395 30 10 IKEE CCSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1sccc1C 1874196845 FLTSVQROOVZTJO-LFVJCYFKSA-N 436.606 5.807 30 10 IKEE Clc1ccccc1OCc1nnc(SCc2ccccc2)n1/N=C/c1ccncc1 1874266597 FALJGOZAEZAGPQ-AFUMVMLFSA-N 435.940 5.080 30 10 IKEE Cc1cccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccccn2)c1C 1874323453 QBFOWACTGGEUJY-CVKSISIWSA-N 429.549 5.043 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1ccc(OC)c(OC)c1 1874357847 BWPFARHRWMCZHL-AFUMVMLFSA-N 436.581 5.053 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874367195 QJMVCWNKKRZSMP-AUEPDCJTSA-N 449.363 5.517 30 10 IKEE CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1ccc(OCc2ccc(C)cc2)cc1 1874391260 AQGPMTZNKIOUCZ-KKMLCIJBSA-N 442.588 5.921 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2F)n1/N=C/c1ccc(O)cc1O 1874395867 XIZXCUMXQPNBQM-JOBSNELWSA-N 448.523 5.155 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SCCC)nnc2[C@@H](C)c2ccccc2)cc1 1874399178 IWLCNKUODUFDEP-HOIQBIFOSA-N 436.625 6.383 30 10 IKEE O=C(O)c1ccccc1/C=N/n1c(SCc2cccc(F)c2)nnc1-c1cccs1 1874421661 XPIMDEDWEVYJFH-FSJBWODESA-N 438.509 5.018 30 10 IKEE C=CCSc1nnc(-c2cccs2)n1/N=C/c1ccc(OCCCC)c(OCC)c1 1874423767 DKVGNQRBMCXSCZ-XQNSMLJCSA-N 442.610 5.745 30 10 IKEE CC(C)(C)c1ccc(/C=N/n2c(SCCc3ccccc3)nnc2[C@H]2CCCO2)cc1 1874448977 PNNAMVGWFZMQCV-OALFQMFHSA-N 434.609 5.644 30 10 IKEE Cn1cc(/C=N/n2c(SCc3ccccc3F)nnc2C2CCCC2)c2ccccc21 1874455703 GXYPJTQMFXKTMM-VULFUBBASA-N 433.556 5.741 30 10 IKEE Oc1ccc(Cl)cc1/C=N/n1c(SCc2ccccc2Cl)nnc1-c1ccco1 1874467124 SJZSQMRHZOSMNQ-FOKLQQMPSA-N 445.331 5.725 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C(C)(C)C)cc1 1874484100 FLZYOASDTYXDFG-ZVHZXABRSA-N 428.989 5.802 30 10 IKEE C=CCSc1nnc(CC(C)C)n1/N=C/c1ccc(OCc2ccccc2)c(OC)c1 1874490473 SJLGSYMZOVSQNL-PCLIKHOPSA-N 436.581 5.225 30 10 IKEE Oc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C2CCC2)c1 1874497699 WKFNEBVJAZJAOT-FOKLQQMPSA-N 433.364 5.733 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCc3ccccc3F)nnc2C(C)C)cc1 1874513807 QNDMUEALCXBOQD-MFKUBSTISA-N 426.561 5.894 30 10 IKEE CSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(C)cc1 1874540382 MPRSJLXVRSVQLZ-YDZHTSKRSA-N 435.380 5.509 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCc2cccc(C)c2)cc1C 1874574124 WIKFDRGGOPUMNR-CSKARUKUSA-N 436.935 6.449 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2c(Cl)cccc2Cl)cc1 1874576119 XMGQAPCHMXQUDA-YRNVUSSQSA-N 447.745 7.131 30 10 IKEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(Cl)cc1)Nc1ccccc1F 1874578477 PUVDTCOSNYWTLL-YRNVUSSQSA-N 444.289 6.046 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C/C(=O)c2cc(C)ccc2C)cc1 1874580308 HXQXPYREAFNJSP-UKTHLTGXSA-N 447.962 6.433 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1OCc1cccc(F)c1 1874591800 CGKSIBWFDRUNAK-DHZHZOJOSA-N 431.290 6.616 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3F)cc2)cc1OCCC 1874612825 NXHDJRNFYCBQSG-RVDMUPIBSA-N 448.534 6.878 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OCc1ccc(Cl)c(Cl)c1 1874613155 FUGCUYNLKSUYEK-RMKNXTFCSA-N 447.745 7.131 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccccc3)cc2[N+](=O)[O-])c(C)c1 1874614500 JWNPMRHWIIYJOM-FMIVXFBMSA-N 430.460 5.125 30 10 IKEE O=C(/C=C/c1ccc(OCc2c(Cl)cccc2Cl)c([N+](=O)[O-])c1)c1ccccc1 1874614961 ZMVHEMBFKOMFTB-PKNBQFBNSA-N 428.271 6.377 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OCc1ccc([N+](=O)[O-])cc1 1874628657 OSWMZHPZYQCLLD-KPKJPENVSA-N 447.487 5.704 30 10 IKEE Cc1cccc(COc2ccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)cc2[N+](=O)[O-])c1 1874629138 NZHIIXRDUMZKJN-PKNBQFBNSA-N 429.516 6.612 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCCc3ccccc3)c(OC)c2)c(OCC)c1 1874634800 URHNYBADAVBDKI-RVDMUPIBSA-N 446.543 6.010 30 10 IKEE CCOc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3cc(C)c(OC)cc3C)c2)cc1 1874717899 OFSPMSGVHCUFBL-SDNWHVSQSA-N 444.527 5.755 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)COc3c(C)cccc3C)c2)cc1C 1874717995 PRARYJAILRLHGB-OUKQBFOZSA-N 444.527 5.809 30 10 IKEE Cn1c(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)cc2)cc2ccccc21 1875097179 YHXWXVAGEMLJHI-SFQUDFHCSA-N 435.523 6.172 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)Cc1ccc(F)cc1 1875099266 YSYFDZNKIHZIQL-RIYZIHGNSA-N 444.502 5.757 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1)c1ccccc1Cl 1875111365 GNNAMPXKIDINCR-KPKJPENVSA-N 442.254 6.017 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)[C@H](C)c2ccccc2)c([N+](=O)[O-])c1 1875119544 ZZRJSHFUDNSLJK-ABDJAZHISA-N 431.444 5.209 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)c1ccccn1 1875123070 UZDBLYVSRQYDBR-BJMVGYQFSA-N 428.271 5.512 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)c1ccc(C)cc1 1875163961 MDUJTNKRXGDKBU-MDWZMJQESA-N 448.465 6.126 30 10 IKEE Cc1ccc(NCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1C#N 1910014575 NVPDNABVYKPTOA-UHFFFAOYSA-N 434.539 6.637 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)NCCC 1922056049 WJWMUXOUXHLGGV-DSNGMDLFSA-N 444.660 5.991 30 10 IKEE C#Cc1cccc(NC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)c1 1984723893 FGEVHAOIANQVEU-AREMUKBSSA-N 438.527 5.170 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@](C#N)(N(C(=O)OC(C)(C)C)c3cccc(F)c3)[C@H]2C1 2032041704 CKOJNUHXZORTPM-TVVUZDRGSA-N 445.535 5.106 30 10 IKEE C=C1C(=CC=C2CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)C=C[C@H](C)C(C)(C)O)C[C@H](O)C[C@H]1O 2053528699 ZGLHBRQAEXKACO-CXDNEVAZSA-N 428.657 5.727 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C2(CC2)C1 2065974040 UEHCVSBALVFZRV-XMMPIXPASA-N 445.535 5.251 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@]1(C#N)C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 2070323971 ARQPHMFWARCBCW-LMMUWCHVSA-N 436.527 5.845 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2070602157 FJFWPASTEWYHHX-BXKMTCNYSA-N 447.551 5.497 30 10 IKEE Fc1cc(C(F)(F)F)ccc1-c1c(C(F)(F)F)nn2c(Cl)c3c(nc12)CCCC3 2081256760 HPMBRBOTSJIUQP-UHFFFAOYSA-N 437.746 6.105 30 10 IKEE COc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)c(C)n1 2157051020 IDSJRZAFLUOCRI-QGZVFWFLSA-N 432.318 5.168 30 10 IKEE N#Cc1cc(Br)ccc1NC(=O)C1CC2(CC(OCc3ccccc3)C2)C1 2160248818 UVJBMQKNJCCRCW-UHFFFAOYSA-N 425.326 5.035 30 10 IKEE CN(C(=O)OC(C)(C)C)[C@@H](CNc1cccc(Br)c1C#N)c1ccccc1 2175023684 ZUTPETHMHAJBBX-IBGZPJMESA-N 430.346 5.341 30 10 IKEE C=CC[C@](C)(CO)N(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(OC)cc1 2211047625 YTORCANFUDNWGD-MUUNZHRXSA-N 443.543 5.778 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C1 2220393803 RDEVZKZMGXUWFC-SRGWNRLKSA-N 447.551 5.495 30 10 IKEE CCCCCCCC[C@@H](N)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237432578 DZYLUFGLMXWQBO-UXHICEINSA-N 441.454 5.963 30 10 IKEE C=CCC[C@@H](C)[C@H](NCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237434021 VVVDPRVVVQDRFO-AHRSYUTCSA-N 439.438 5.465 30 10 IKEE CCc1ccc(C#CC(=O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1 2239678524 WRTIUKVDDARBQL-UHFFFAOYSA-N 446.546 6.641 30 10 IKEE C=CCCC1([C@@H](NC)c2scc(Br)c2C)CN(C(=O)OC(C)(C)C)C1 2255000768 GCWZTXHNSGPFFE-INIZCTEOSA-N 429.424 5.283 30 10 IKEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)CCN(Cc2ccccc2)CC12CCC2 2275809558 XQZZBBFTJSWKKV-NDEPHWFRSA-N 449.591 5.066 30 10 IKEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)Nc1ccc(OCc2ccccc2)cc1 2282131493 IOPQICORUKFULF-UHFFFAOYSA-N 443.352 5.126 30 10 IKEE C=C([C@@H](OCCC(=O)O)c1scc(Br)c1Br)C(C)(C)C 2291117120 YCIXFOIROSPAKN-GFCCVEGCSA-N 426.170 5.408 30 10 IKEE Cc1cc(C)cc(N=C2NC(=O)C(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)S2)c1 2294013998 QSGOHGPMMNYVBS-UHFFFAOYSA-N 433.489 5.672 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H](C)CN(CC)C(=O)OC(C)(C)C 2296298856 OJJGAEYIQIOBMC-FXAWDEMLSA-N 437.422 5.062 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H](C[C@@H](C)CC)NC(=O)OC(C)(C)C 2296310546 LAQUHIJBKAWVAQ-DBVUQKKJSA-N 437.422 5.108 30 10 IKEE COc1cccc(C(O)=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 2296559963 ILMUDAQOQIFPLP-HSZRJFAPSA-N 442.515 5.014 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3cc(OCC=Cc4ccccc4)ccc3C1=O)cn2C 2296590743 OENFZVOFWPXJOD-UHFFFAOYSA-N 437.495 5.895 30 10 IKEE C=C1C(=CC=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)C=C[C@@H](C)C(C)(C)O)C[C@@H](O)C[C@@H]1O 2296604841 ZGLHBRQAEXKACO-HYDOAEHTSA-N 428.657 5.727 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(COc3ccc([N+](=O)[O-])c(C)c3)c2)cc1 2297316128 XTLZACFZSDEUKR-UHFFFAOYSA-N 433.460 5.396 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 2313151652 WGFFHKYTVHPVGM-RCTAOEEJSA-N 442.644 5.553 30 10 IKEE Cc1cc(C=C2SC(=Nc3ccc(F)cc3)NC2=O)c(C)n1-c1cccc(Cl)c1 2313557693 JSUPRHXLRZDYIG-UHFFFAOYSA-N 425.916 5.778 30 10 IKEE CCN1C(=O)C(=Cc2cccc(OCc3ccc(C)cc3)c2)SC1=Nc1cccnc1 2314541787 QDVCHOORNYNVNU-UHFFFAOYSA-N 429.545 5.593 30 10 IKEE CC(=Cc1ccccc1)C=C1SC(=Nc2cccc(C(=O)O)c2)N(C2CCCCC2)C1=O 2314548300 SJTJAXRHZHWPDL-UHFFFAOYSA-N 446.572 6.268 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNc2ccc(C(=O)O)cc2)cc1C 2321733843 IDTAXYGGKJUYGL-UHFFFAOYSA-N 426.476 5.001 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCc4ccc(Cl)c(Cl)c4)cc(C)c3C2=O)c1 2321789673 FIKNVPIROROHCZ-UHFFFAOYSA-N 425.311 6.805 30 10 IKEE CCn1cc(C=C2Oc3c(ccc4c3CN(Cc3ccncc3)CO4)C2=O)c2ccccc21 2321977870 LEZJTMONNKDKGY-UHFFFAOYSA-N 437.499 5.025 30 10 IKEE COc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN([C@@H](C)c2ccccc2)C4)cc1 2322092491 WSEFSVDOYUZZNY-SFHVURJKSA-N 427.500 5.533 30 10 IKEE CC(C)COC(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc(Cl)cc1Cl 2322390919 JYSSSVISHOJZCK-UHFFFAOYSA-N 441.738 6.121 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccccc2OCc2c(Cl)cccc2Cl)c(C)c1 2322941910 FOEARIWANHZZLL-UHFFFAOYSA-N 425.355 7.394 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC)c(OC)c2OC)cc1OCc1cccc(C)c1 2323340966 JEELMXULCDYZAV-UHFFFAOYSA-N 448.515 5.505 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)c1 2323486803 HDPIZKNFRHIQFX-UHFFFAOYSA-N 439.870 5.401 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2F)cc(OC)c1OCc1cc(C)ccc1C 2323739641 BLCOQBUKVIFKPD-UHFFFAOYSA-N 448.509 6.794 30 10 IKEE Cc1cc(O)c(CN2CCC(C)CC2)c2c1C(=O)C(=Cc1c(Cl)cccc1Cl)O2 2324151989 PLANLLUQNMPVQA-UHFFFAOYSA-N 432.347 5.856 30 10 IKEE Cc1c(O[C@H](C)C(=O)Nc2ccccc2)ccc2c1OC(=Cc1cccc(Cl)c1)C2=O 2324405635 BMRPXPASEWSWPC-MRXNPFEDSA-N 433.891 5.671 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2sccc2C)C3=O)c(C)c1 2324494245 IIPOLQDICYNRTE-QGZVFWFLSA-N 433.529 5.696 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)c(OC)cc2C)ccc1OCc1cc(C)ccc1C 2324644456 AICSHGRQNHPODH-UHFFFAOYSA-N 444.571 6.803 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1cccs1)C2=O 2325142124 LGKVNDXMSKPXGF-QGZVFWFLSA-N 433.529 5.696 30 10 IKEE CC(=O)c1cccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccc(C)cc2)C3=O)c1 2325383079 SYVMRTSLPIMFBN-UHFFFAOYSA-N 441.483 5.140 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1cc(Cl)c(O)c(OC)c1 2325512648 WEPOOZSUJHLUGF-UHFFFAOYSA-N 448.951 5.302 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1ccccc1F)O2 2325513443 JEVAAIHXDPAHIR-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1cccc([N+](=O)[O-])c1 2325535952 DCGJPJSSXZDUHA-UHFFFAOYSA-N 447.923 5.496 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccc(Br)cc1 2325554518 IRTHPWIIRRWPCF-UHFFFAOYSA-N 443.414 5.784 30 10 IKEE O=C(C=Cc1ccc(Br)cc1F)C(=O)Nc1ccc(Oc2ccccc2)cc1 2325702547 ITMYKQPXAGHTOS-UHFFFAOYSA-N 440.268 5.602 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)CCCOc3ccccc3)c2)cc1OC 2325703482 JQPVBNMOMDFMKA-UHFFFAOYSA-N 446.499 5.365 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC)c(OC(=O)COc3c(C)cccc3C)c2)c1 2325706924 YGXASDYBTXZEIV-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE Cc1cc(C)c(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccc(C)o2)C3=O)c(C)c1 2325737017 LZQDNLFJFKETAD-UHFFFAOYSA-N 431.488 5.455 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC)c(OC(=O)CC3CCCCC3)c2)c1 2325743638 MYIHCNJLAPUTSH-UHFFFAOYSA-N 438.520 5.484 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(Cl)c(Cl)c2)c1)c1ccc2c(c1)OCO2 2325747354 BZKMSWJJSAIEOX-UHFFFAOYSA-N 441.266 5.837 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1OC(=O)c1cncc(C)c1 2325755352 HZOATKRISFNNTH-UHFFFAOYSA-N 431.488 5.139 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cccc(OC(=O)c2ccc(C(C)(C)C)cc2)c1 2325757749 IPYGBBJRJUPJIA-UHFFFAOYSA-N 442.555 6.725 30 10 IKEE CSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1N=Cc1ccccc1F 2325831139 QZFYCWUXKBXRTA-UHFFFAOYSA-N 426.561 5.330 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccccc1C 2326017689 SDLFKCJSLOSUHG-UHFFFAOYSA-N 426.973 5.412 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1ccc(C(F)(F)F)cc1 2326414592 KIYPKZWRJGUYTG-UHFFFAOYSA-N 432.515 6.041 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CC23CC4CC(CC(C4)C2)C3)nnc1SCC=C 2326934647 PSYDSYMPLHKURJ-UHFFFAOYSA-N 448.636 5.762 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc(OC)c2)n1N=Cc1ccccc1Cl 2328636511 RSVNPJJNOFJJGA-UHFFFAOYSA-N 426.973 5.276 30 10 IKEE C=CCSc1nnc(CCc2cccc(OC)c2)n1N=Cc1ccc(C(F)(F)F)cc1 2328648936 SVFZFCFXFLLUEE-UHFFFAOYSA-N 446.498 5.251 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1cccc(OCCC)c1 2329420248 OFRGGISOADUJLG-UHFFFAOYSA-N 434.609 5.825 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCCc2ccccc2)n1N=Cc1ccc(F)cc1 2330113226 UGESFERKBVCATK-LJQANCHMSA-N 430.552 5.786 30 10 IKEE Cc1cccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2[C@@H](C)c2ccccc2)c1 2330135530 DZSGJSULLDSRFZ-IBGZPJMESA-N 447.007 6.566 30 10 IKEE Cc1ccccc1C=Nn1c(CC2CCCCC2)nnc1SCc1ccc([N+](=O)[O-])cc1 2330251336 UNSINVSDRGAOEI-UHFFFAOYSA-N 449.580 5.792 30 10 IKEE CN(C)c1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2-c2cccs2)cc1 2330556745 FRKQKUJASWYDPH-UHFFFAOYSA-N 437.569 5.386 30 10 IKEE CCc1ccc(C=Nn2c(SCC(=O)Nc3ccccc3)nnc2-c2ccccc2)cc1 2330627238 XOUJGWNZCCRWRD-UHFFFAOYSA-N 441.560 5.121 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(Cl)c1OC(=O)c1ccccn1 2330678319 IKJFFOYMWLPSEG-UHFFFAOYSA-N 447.918 5.738 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-])c1ccccn1 2330810495 GKBPHUFEOARULC-UHFFFAOYSA-N 443.242 5.412 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(C)c3)cc2Cl)c1 2330860295 RICFPRSUGMDEBX-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(C=CC(=O)c3ccc(Br)cc3)cc2)c1 2330884413 SCYRJEJHBFVVLB-UHFFFAOYSA-N 435.317 6.181 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1)c1cccc(Cl)c1 2331117746 FJZRHQOTNQNJPS-UHFFFAOYSA-N 446.886 5.602 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc(Cl)c1OC(=O)C(C)C 2331246072 ZYUCUJNFDQEQLZ-UHFFFAOYSA-N 441.738 6.503 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccc(C)cc3C(C)(C)C)cc2)cc1 2331259197 YKAJUUXTBHLYRH-UHFFFAOYSA-N 442.555 6.481 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(OCC(C)C)cc1 2331293199 FYHWBVPSQDPELT-UHFFFAOYSA-N 444.527 6.154 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(F)c2)ccc1OC(=O)Cc1ccc(C)cc1 2331461090 KAMOAEGDLFQMIG-UHFFFAOYSA-N 448.490 5.586 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OC(=O)c1ccccc1C 2331480318 HGOFKPPUMXHPJJ-UHFFFAOYSA-N 436.507 6.662 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C2CCC2)cc1 2331502903 IUJRVAUUQDHOLS-UHFFFAOYSA-N 449.580 5.926 30 10 IKEE O=C(O)c1ccccc1C=Nn1c(SCc2ccccc2Cl)nnc1C1CCC1 2331523582 IXNXKPJAZVFVKF-UHFFFAOYSA-N 426.929 5.072 30 10 IKEE COCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1cccc2ccccc12 2331618272 DNCUGIQMRJRSHA-UHFFFAOYSA-N 440.931 5.545 30 10 IKEE CCCC(=O)Oc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1Br 2331794691 KSHLXDHQEAPLNH-UHFFFAOYSA-N 443.381 6.657 30 10 IKEE O=C(CCOc1ccccc1)Oc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1 2331859711 QWGMKUHIYDLMBZ-UHFFFAOYSA-N 441.310 6.264 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(F)c3)cc2)c2ccccc12 2331866070 WSLDHYLJVHXBBN-UHFFFAOYSA-N 426.443 6.103 30 10 IKEE CC#CCN(C[C@H](NCC)c1ccc(Cl)c(Br)c1F)C(=O)OC(C)(C)C 2337910266 NUSJFUJNPPNERY-HNNXBMFYSA-N 447.776 5.153 30 10 IKEE CN(Cc1ccc(Br)cc1C#N)[C@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]12 2357063784 OMOWECNKBOBSSJ-AWDZXFJFSA-N 425.370 5.136 30 10 IKEE Cc1cc(CNc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)sc1Br 2365063503 AKOISROHDNABDP-CMDGGOBGSA-N 435.196 5.471 30 10 IKEE CCCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccc(F)cc1)C2 20881805 ITNAQSVZTIWSOL-WHLCRQNOSA-N 442.534 6.594 30 10 IKEE CCc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(O)c(OC)c2)cc1 21220772 FGARUZBWIJEVFU-NGOKVRLYSA-N 440.543 5.943 30 10 IKEE COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2c(F)cccc2Cl)c1 21260358 GOOUKOOCYRUABL-QMTYFTJSSA-N 448.925 6.467 30 10 IKEE Cc1ccccc1C(=O)/N=C(/NCCc1c[nH]c2ccccc12)Nc1cccc(Cl)c1C 32943314 DODWVDZKIRQCBI-UHFFFAOYSA-N 444.966 5.879 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OCc4ccc([N+](=O)[O-])cc4)ccc3C2=O)c2ccccc21 41501771 QABPUVCWGISVPI-MXAYSNPKSA-N 440.455 5.765 30 10 IKEE COc1ccccc1CN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccccc1F)C3=O 41644917 QMKQDOODHJPCRN-FMCGGJTJSA-N 431.463 5.111 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc3c2CN(Cc2ccc(C)cc2)CO3)C1=O 41656176 LICGVXBDTJFQMM-QFEZKATASA-N 427.500 5.362 30 10 IKEE CCCCCCCCCCCCCCCCCCCCCC(=O)Nc1cccc(F)c1 100462748 BOLARWUIZMUYJT-UHFFFAOYSA-N 433.696 9.586 30 10 IKEE CCCCCCCOc1ccc(C(=O)N(Cc2ccco2)Cc2ccc([C@H]3C[C@H]3C)o2)cc1 101909948 LZCGSEKGHCUKRQ-RLWLMLJZSA-N 449.591 7.188 30 10 IKEE CCCCCCCCCN1C(=O)COc2ccc(-c3nc(-c4ccccn4)sc3C)cc21 103752366 AZNRVWGOIGBPNZ-UHFFFAOYSA-N 449.620 6.657 30 10 IKEE CC[C@@H]1CS/C(=N/c2ccccc2)N1C(=O)CSC(c1ccccc1)c1ccccc1 105070800 BKZAEAIZWWPNJV-YGKZTHBJSA-N 446.641 6.551 30 10 IKEE CCCCCCCCOc1cc([S@](C)=O)cc2c(=O)c3cc(C(=O)O)ccc3oc12 139017033 NIYVTGSEIQCEHV-SSEXGKCCSA-N 430.522 5.121 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2cc(C)cc(C)c2)cc1 169922449 UQAGCQPRUUMLEG-XMMPIXPASA-N 445.490 5.542 30 10 IKEE CCCN1C(=S)N[C@@H](c2ccc(OCc3ccc(C)cc3)c(OC)c2)C(C(C)=O)=C1C 169930290 KPJJFOKVPQFVBH-DEOSSOPVSA-N 438.593 5.087 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2OC)cc1 169939548 WJGUIIJDLFEHRN-QFIPXVFZSA-N 433.529 5.098 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccc(O)cc2)cc1 169958214 XUKWOHBLHATTLG-DEOSSOPVSA-N 443.499 5.307 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccc(O)cc2)c(C)c1 169960811 WZQOWETVVSJBMI-DEOSSOPVSA-N 443.499 5.109 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccc(O)cc1)c1ccc(Cl)cc1 169961741 SEYWOQUZQDFGNS-FQEVSTJZSA-N 440.282 5.482 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2cccs2)c1 169983014 VRAVYYWUMCXYNN-JOCHJYFZSA-N 433.529 5.663 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccccc1F)c1ccc2c(c1)CCO2 170071132 ZLNRGCCTFZIPAK-JOCHJYFZSA-N 449.865 5.197 30 10 IKEE Cn1cc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2C2CCCC2)c2ccccc21 170085944 IFUZGNDMTDHUAD-RUZDIDTESA-N 428.532 5.018 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@H]2c2ccco2)c1 170090647 XZOCBOSOCZPYBG-QHCPKHFHSA-N 445.515 5.759 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 170142438 MYYAMVDSEFOLMH-QFIPXVFZSA-N 428.875 5.303 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccc(C)c2)cc1 170142862 MBNKEJGUEIJXDQ-VWLOTQADSA-N 441.527 5.875 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2cccs2)cc1OC 170156123 NIVWALRGRSKPDV-JOCHJYFZSA-N 449.528 5.165 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccs2)ccc1Cl 170156431 QMDUFJLOOVVIJW-FQEVSTJZSA-N 439.920 5.501 30 10 IKEE C=CCN1C(=O)C(Nc2cc(Cl)ccc2OC)=C(c2ccc(Cl)cc2Cl)C1=O 170167529 PMNPEVIMNSNHAF-UHFFFAOYSA-N 437.710 5.033 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2cccnc2)cc1 170186001 KNLPVMGYZKXFLF-XMMPIXPASA-N 442.515 5.214 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3cccc(OCC)c3)=C(O)C(=O)N2CCC)cc1 170215952 DNHHBSNYOXBZCE-QHCPKHFHSA-N 437.536 5.253 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2CCC)cc1 170216122 MPYAGNVKGBFKGW-HSZRJFAPSA-N 437.536 5.171 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(OCC)c1 170218378 YNDSWBUXBPUACP-OAQYLSRUSA-N 427.928 5.507 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2)c1 170221667 HBEWSFQYMIIMMX-QFIPXVFZSA-N 433.529 5.314 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(Cl)cc1)c1ccc2c(c1)CCCO2 170237147 BTLOICNRAMBZIP-JOCHJYFZSA-N 437.923 5.186 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(F)cc2)ccc1OC(C)C 170241216 BTJJPISTTJRNHF-HSZRJFAPSA-N 449.478 5.293 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@@H]1c1ccc(F)cc1 170243379 AGKYEXJESPUNQI-NRFANRHFSA-N 425.500 5.120 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1ccc(C(C)C)cc1 170245167 DCUGLKVEAOJLHF-DEOSSOPVSA-N 435.564 5.976 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccc(O)c2)c1 170258397 OYPLFFKCVATLGP-XMMPIXPASA-N 443.499 5.272 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2C2CCCCC2)cc1 170266600 DFGXPWXUUIAZFE-QFIPXVFZSA-N 434.492 5.068 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccc2C)cc1 170270877 VBQIAJSBFUOXCZ-DEOSSOPVSA-N 445.490 5.706 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccc(C)o2)cc1 170303724 QYKXRYKCLUXDKT-QHCPKHFHSA-N 431.488 5.467 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccc(F)cc2)o1 170311206 SMBHKFCXEPVESL-HXUWFJFHSA-N 425.843 5.159 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(O)c(Cl)c2)cc1 170367761 DMDMUAZHJHHTAI-HSZRJFAPSA-N 447.918 5.699 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(C(C)(C)C)cc2)cc1 170390415 DLEYVCHLOJOAIW-QHCPKHFHSA-N 445.584 6.391 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccccc2OC)cc1 170454048 BZMBZCPXNJMJLG-XMMPIXPASA-N 436.552 5.057 30 10 IKEE CC(C)C(=O)C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccc(C(C)(C)C)cc1 170472105 ICPJNDGVHTXIKX-FQEVSTJZSA-N 434.561 5.719 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(Oc3ccccc3)cc2)[C@H]1c1cccs1 170476865 IIELBQUDACKXLK-QHCPKHFHSA-N 433.529 6.056 30 10 IKEE CCOc1cccc(/C=C2/Oc3cc(OC)ccc3C2=O)c1OC(=O)c1ccccc1C 210084603 CMQZIEIQQYFWKV-OEAKJJBVSA-N 430.456 5.238 30 10 IKEE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/Oc3ccc(C)cc3C2=O)cc1C 213992945 GOYXBMSEKZDHFE-WPWMEQJKSA-N 448.522 6.337 30 10 IKEE O=C1/C(=C\c2ccc(Br)cc2)SC(=Nc2ccccc2)N1Cc1ccccc1 252621706 NFCGDKANQDHJRW-PYYWQZPNSA-N 449.373 6.253 30 10 IKEE O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2ccccc2)/C1=C(O)\C=C/c1ccccc1 254428876 PGNHDAYBGSOACL-WUMUAOHYSA-N 449.428 5.888 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccccc2OC)cc1 526487432 YDTHIYMOFLNFQG-RUZDIDTESA-N 440.499 5.413 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccc(O)c2)c1 526518477 XINYHSVRJZWYQO-RUZDIDTESA-N 440.499 5.500 30 10 IKEE CC(C)Oc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)c(F)c2)c1 526709253 FBFIEWPOPMRIDU-HSZRJFAPSA-N 449.453 5.535 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1cccc(Cl)c1Cl 526802513 IUXVPWTWPYTVHF-MSXFZWOLSA-N 437.371 6.241 30 10 IKEE Cc1sc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)cc1Br 698924321 SZCPZNYZHMLAON-OAHLLOKOSA-N 425.323 5.965 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@@H](C#N)c1cc(Br)c(Cl)s1 698964106 HMNNLZAVLPERPD-ZDUSSCGKSA-N 445.741 6.309 30 10 IKEE CCCCCCCC[C@H](NCCC)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 702511885 UKDNRAJRDQBLRO-LOSJGSFVSA-N 447.708 6.131 30 10 IKEE C=C(CC)C[C@@H](NCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 708590107 VKFJXQXPPMIBGR-RTBURBONSA-N 425.411 5.219 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)C2(C#N)C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)c1 709416176 SGOAOWHPTIAVHS-WPUZRXDDSA-N 441.572 5.561 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c1ccccc1F)C2 709469057 IBKOCTVNJARKIK-UAVUOLJFSA-N 445.535 5.249 30 10 IKEE C=CCC1([C@H](NCCC)c2cc(Br)ccc2F)CN(C(=O)OC(C)(C)C)C1 722937988 NCVIFCPAWZKLQG-GOSISDBHSA-N 441.385 5.442 30 10 IKEE CC(C)(C)OC(=O)NC1CCC(C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)CC1 724080902 XWRBGAJLPRVPOK-UHFFFAOYSA-N 429.561 5.153 30 10 IKEE CC12CC3(C)CC(C)(C1)CC(C(=O)N=C1N=C4C=CC(Cl)=CN4Cc4ccccc41)(C2)C3 886013275 KMHOPZNJRPOSGI-UHFFFAOYSA-N 448.010 6.211 30 10 IKEE CC(=NNc1nc(SCC(=O)N(c2ccccc2)c2ccccc2)n[nH]1)c1cccs1 1083918735 LLRFFLDUKHSJEQ-UHFFFAOYSA-N 448.577 5.159 30 10 IKEE O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 1084216098 QOXWOEPXFXMKFW-VCHYOVAHSA-N 442.855 5.329 30 10 IKEE Oc1ccc(C=Nc2ccc3cc4ccc(N=Cc5ccc(O)cc5O)cc4nc3c2)c(O)c1 1084412648 BEZOTXYAOPLDOB-UHFFFAOYSA-N 449.466 5.712 30 10 IKEE Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(N=Cc3ccc(Br)cc3)cc1)N2 1084570921 AARNPXITCXVHCB-JQYIIUTOSA-N 443.388 7.335 30 10 IKEE C=CCN1C(=O)/C(=C/C(C)=C\c2ccccc2)SC1=Nc1nc(-c2ccccc2)cs1 1772736440 KTONVWGWAMYOMJ-LMYKVKJSSA-N 443.597 6.546 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccccc2)c1)ON=C1CCN(Cc2ccccc2)CC1 1860468542 DPKNDYPFUKRMGX-CCEZHUSRSA-N 440.543 5.474 30 10 IKEE N#Cc1cccc(C(=O)Oc2ccc(C3CCN(C(=O)c4cc(F)ccc4F)CC3)cc2)c1 1860704439 LOHIHXPXXAVLIP-UHFFFAOYSA-N 446.453 5.075 30 10 IKEE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1 1860722091 MNPMWUNODRCNSO-LHHJGKSTSA-N 436.851 5.048 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)c1cccc2ccccc12)c1ccccc1 1861724222 NTGWMFGIAFFETI-MHZLTWQESA-N 444.619 6.568 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(C)cc2)cc1 1862390089 VLWJJASJZXMMDE-SANMLTNESA-N 445.603 6.639 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc(C)c1 1862429525 PGLCMHJAEKMRDV-XXBNENTESA-N 439.983 6.586 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@@H]2c2ccc(F)cc2)cc1 1862430575 NEMPXIXNIWQDDO-QHCPKHFHSA-N 449.909 5.609 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc(OCCC)c1 1862437078 IYIBCOANZMXAAB-JOCHJYFZSA-N 441.955 5.897 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 1862476269 HIWJGYAOVFJSNE-QHCPKHFHSA-N 431.919 5.735 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2ccc(C)cc2)cc1 1862589185 GKPOLMKEFXVEIK-BVZFJXPGSA-N 441.527 5.603 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1c(Cl)cccc1Cl 1862624382 WXOVAIGHHNGXCT-FQEVSTJZSA-N 446.374 6.279 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccccc1Cl)c1cccc2ccccc12 1862654440 YAKBHDCBESRLDB-HSZRJFAPSA-N 431.919 6.014 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)c1 1862675331 IADIVGVHNOFTQK-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc(Cl)cc2Cl)cc1 1862690006 FGIMQAUSSDJBRU-FQEVSTJZSA-N 448.346 5.626 30 10 IKEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccccc2)cc1 1862698225 DGTQEWMAPRXAST-XDHUDOTRSA-N 443.499 5.043 30 10 IKEE Cc1c(Cl)cccc1NC1=C(c2ccc(Cl)cc2)C(=O)N(c2ccccc2C#N)C1=O 1862803675 ACZVIDONSCCZJK-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3cccc(Cl)c3C)C(=O)N(c3ccccc3C#N)C2=O)c1 1863036923 MGYTXLZPWKQWBI-UHFFFAOYSA-N 441.918 5.534 30 10 IKEE N#Cc1cccc(N2C(=O)C(Nc3cc(Cl)ccc3Cl)=C(c3cccs3)C2=O)c1 1863112701 GVITXWKGYKVZMW-UHFFFAOYSA-N 440.311 5.323 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(CCCC)cc2)=C(c2ccc(C)cc2)C1=O 1863262020 KDETUFAMIVPHGR-UHFFFAOYSA-N 446.635 6.890 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC(C)C)=C(c2ccc(Br)cc2)C1=O 1863557464 NOKJSSJJYRHGKD-UHFFFAOYSA-N 449.433 5.668 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2Cl)C(=O)N(CCCOCC)C1=O 1863780609 ULLRNDMBRVGAJZ-UHFFFAOYSA-N 449.035 5.577 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)c2c(F)c(F)c(F)c(F)c2F)c1 1866171747 ITOLJFDAFLDZRJ-UHFFFAOYSA-N 430.332 5.046 30 10 IKEE CCCN(CCCN(C)C)c1cc(Nc2ccc(C#N)cc2)nc(-c2ccc(F)cc2)n1 1868465712 ILGHKTJKMRNYJE-UHFFFAOYSA-N 432.547 5.066 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N2C[C@H](C)C[C@@H](C)C2)nn1-c1ccc(C)cc1 1870009632 MACGRCMZMKBYCX-NHCUHLMSSA-N 425.621 5.747 30 10 IKEE CCCCCCCOc1cn(CC(C)C)c(CNc2cccc(C(F)(F)F)c2)cc1=O 1870831566 FDWVCPOZHNBHKV-UHFFFAOYSA-N 438.534 6.484 30 10 IKEE C=CCn1cc(OCc2cccc3ccccc23)c(=O)cc1CNc1ccc(Cl)cc1 1870918830 RVUPTEHPIBLXJL-UHFFFAOYSA-N 430.935 6.032 30 10 IKEE C=CCn1cc(OCCCOc2ccc(C)cc2)c(=O)cc1CNc1ccc(C(C)C)cc1 1871216157 HLMZDNNZZKUMDF-UHFFFAOYSA-N 446.591 5.926 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O3)CN(CCCCN(C)C)CO2 1871349574 XNJXNWHJIIJHSI-IWIPYMOSSA-N 434.580 5.228 30 10 IKEE CCc1ccc([C@@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2ccc(Cl)cc2)C4=O)cc1 1871354289 MJNDVOYCOXERAS-YMKHCOABSA-N 445.946 6.432 30 10 IKEE COc1ccc([C@H](C)N2COc3c(cc4c(c3C)O/C(=C\c3cccs3)C4=O)C2)cc1 1871358908 FBDDOQOKRWKWHK-BDQMVGTNSA-N 433.529 5.594 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc([N+](=O)[O-])cc4)ccc3C2=O)c1 1871380777 AUKYPFWJNRBVPT-RQXPBMLRSA-N 427.412 5.138 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871382266 QMJGVZVLZQRQAV-XKZIYDEJSA-N 448.858 5.409 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(=O)c(-c4ccc(Cl)cc4)coc3c2)c1 1871388967 RNHDYCWIBHLHPX-UHFFFAOYSA-N 432.859 5.897 30 10 IKEE Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2cccs2)C3=O)c(C)c1 1871402919 PNANPZVFPKOMGO-FPJJECCMSA-N 447.556 6.004 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(O[C@H](C)C(=O)Nc3ccccc3)ccc2C1=O 1871405860 READDIGDNSKLMI-WMWHPZEKSA-N 429.472 5.108 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(O[C@@H](C)C(=O)Nc3ccc(Cl)cc3)ccc2C1=O 1871413798 BQOQSZGELSRJQI-VRHSPDTKSA-N 449.890 5.371 30 10 IKEE Cc1c(OCCOc2cccc3ccccc23)ccc2c1O/C(=C\c1cccc(F)c1)C2=O 1871415704 PCSHGYZVMAXHIG-ONUIUJJFSA-N 440.470 6.361 30 10 IKEE N#Cc1ccc(COc2ccc3c(c2)O/C(=C\c2ccc(-c4ccccc4)cc2)C3=O)cc1 1871417815 RZIIRMPVZKRZLJ-NTFVMDSBSA-N 429.475 6.420 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871458214 GFJCJHQQOPBADB-YSMPRRRNSA-N 441.527 6.006 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccccc1CC)S(=O)(=O)c1cc(C)ccc1C 1872473390 PUCJOHYZFHNKLA-HSZRJFAPSA-N 442.625 5.240 30 10 IKEE COc1cc(-c2nc3ccc(C(=O)Nc4cccc(C#N)c4)cc3[nH]2)ccc1OC(C)C 1872735577 ZVLYCUUVHYYSHI-UHFFFAOYSA-N 426.476 5.150 30 10 IKEE N#C[C@H](C(=O)Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc3ccccc3c2)cs1 1872760001 FFAUVVSNBQJPEP-GOSISDBHSA-N 437.351 6.689 30 10 IKEE Cc1nc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C(C)(C)C)cc4)cs3)cc2nc1C 1872772848 INZKJYZSYMXRQG-HXUWFJFHSA-N 440.572 6.158 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)[C@H](C#N)c1nc(-c2ccc(C(C)C)cc2)cs1 1872776565 RZYHBVURLPOIAI-HNNXBMFYSA-N 445.371 6.739 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3c(C)ccc(C)c3C)n2)c(C)c1C 1872778539 NKKJXYYEHAKFSM-FQEVSTJZSA-N 434.561 5.616 30 10 IKEE Cc1cc(C)c(-c2csc([C@@H](C#N)C(=O)c3cccc(Oc4ccccc4)c3)n2)c(C)c1 1872785889 BJTULUYQUMQYMY-QHCPKHFHSA-N 438.552 7.018 30 10 IKEE N#Cc1ccccc1NC(=O)c1ccc2nc(CCCOc3ccc4ccccc4c3)[nH]c2c1 1872804543 DTTBRCHTOOYWAU-UHFFFAOYSA-N 446.510 5.852 30 10 IKEE C=CCc1ccccc1OCc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1 1872858950 CGMSQGYHQXKEHF-UHFFFAOYSA-N 425.450 5.943 30 10 IKEE CCCCCCCCNC(=O)c1ccc(CN(CC(=O)OCC)Cc2ccccc2)cc1 1872883981 GBGFUTNLOQWNBY-UHFFFAOYSA-N 438.612 5.342 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2C)C(=O)N(Cc2ccccn2)C1=O 1873102365 PTBNRVTUGFMPBP-UHFFFAOYSA-N 433.596 5.400 30 10 IKEE C=CCN1C(=O)C(Nc2cc(C)ccc2OCC)=C(c2ccc(Cl)c(Cl)c2)C1=O 1873187522 POPFNFQFETVQEL-UHFFFAOYSA-N 431.319 5.079 30 10 IKEE CCCCCN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873275659 SGNKDZAWEZKJJT-UHFFFAOYSA-N 435.527 5.607 30 10 IKEE N#Cc1nc(-c2ccccc2)oc1N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 1873471033 VCIADUCEUMKHLS-JFLMPSFJSA-N 428.879 5.892 30 10 IKEE CCCCCCCCN1CC(=O)C(c2nc(-c3ccccc3)c(-c3ccccc3)s2)=C1N 1873528455 YUSPYMWGKPDQLJ-UHFFFAOYSA-N 445.632 6.350 30 10 IKEE Cc1cc2oc(=O)c(CC(=O)Nc3cccc(C#N)c3)c(C)c2c2occ(C(C)(C)C)c12 1873866713 DMUKRQLOBZDNLZ-UHFFFAOYSA-N 428.488 5.506 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1cccc(C)c1 1874214207 ARPASOHRUVVZTO-LFVJCYFKSA-N 426.973 5.412 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2)n1/N=C/c1cc(Cl)ccc1O 1874316978 TZUGKRQSSBZIIA-ZVHZXABRSA-N 442.972 5.199 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2ccccc2F)cc1 1874348887 IPDCSMJSXYOTSF-JVWAILMASA-N 446.551 5.500 30 10 IKEE Clc1ccc(CSc2nnc(COc3ccccc3)n2/N=C/c2ccccn2)cc1 1874385574 XAETXWZGFWIPRZ-AFUMVMLFSA-N 435.940 5.080 30 10 IKEE C=CCSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1ccc(OCCCCC)cc1 1874390167 YKVYIZCTJBTCPT-LGUFXXKBSA-N 434.609 5.907 30 10 IKEE C=C(C)CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1cccc(OC)c1OCC 1874395228 HUEZAYLQRQOZLZ-BFTFCADCSA-N 436.581 5.388 30 10 IKEE Cc1ccsc1/C=N/n1c(SCCc2ccccc2)nnc1[C@@H](C)c1ccccc1 1874399836 DCBJKTIBZGRIFK-HLNOYYKJSA-N 432.618 6.017 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccc(O)cc2)c1 1874408438 XAAZWTDIMXVEGV-WGOQTCKBSA-N 434.609 5.898 30 10 IKEE CSc1nnc(-c2ccccc2)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1874425680 UUTSZWQFQQEZRM-MFKUBSTISA-N 434.952 5.782 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)(C)C)n2/N=C/c2cccc([N+](=O)[O-])c2)c1 1874438782 SVHVXNAJZRTNFC-ZVHZXABRSA-N 437.569 5.566 30 10 IKEE FC(F)(F)c1nnc(SCc2ccccc2Cl)n1/N=C/c1c[nH]c2ccccc12 1874461329 IOASIPZGIGIFLQ-KIBLKLHPSA-N 435.862 5.606 30 10 IKEE Cn1cc(/C=N/n2c(SCCc3ccccc3)nnc2-c2ccco2)c2ccccc21 1874467032 ORIGFPOXJITZQM-PCLIKHOPSA-N 427.533 5.247 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1cccc(OCC)c1 1874480747 JWHPBATXXKLPIA-AFUMVMLFSA-N 446.979 5.986 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1/N=C/c1ccc(C)cc1 1874481074 RJLOKHABNFVKQK-MFKUBSTISA-N 435.597 5.159 30 10 IKEE COC(=O)c1ccc(CSc2nnc(C(C)(C)C)n2/N=C/c2ccc(C(C)C)cc2)o1 1874481984 SQNBCRBSXSXHGK-ZMOGYAJESA-N 440.569 5.253 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C(C)C)cc1OCC 1874510735 XXBRELHCYIPSBA-AFUMVMLFSA-N 442.560 5.513 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C(C)C)c1 1874517560 ZKQHHFUCVDJFHC-WYMPLXKRSA-N 449.407 6.282 30 10 IKEE COc1cc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CC2)cc(Cl)c1O 1874520616 QUJASKQLBKJVMV-AUEPDCJTSA-N 449.363 5.351 30 10 IKEE COc1cc(/C=N/n2cnnc2SCc2c(Cl)cccc2Cl)cc(Cl)c1O 1874539128 OMOQRPVLTWVBQV-QPJQQBGISA-N 443.743 5.127 30 10 IKEE Sc1nnc(Cc2ccccc2)n1/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 1874558934 JBNTYASYLOWIAK-MFKUBSTISA-N 434.952 5.272 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1OCC(=O)NC1CCCCC1 1874592888 HZMCLDRGIMQKCZ-RVDMUPIBSA-N 447.575 5.298 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1OCc1cccc(C)c1 1874593554 PJXYIQSYINRSPO-WUXMJOGZSA-N 437.333 6.241 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OCC(=O)Nc1ccc(C)cc1 1874597460 OFKOFXFWAXYVID-VIZOYTHASA-N 443.543 6.041 30 10 IKEE COC(=O)c1ccc(COc2cccc(/C=C/C(=O)c3cc(Cl)cc(C)c3OC)c2)o1 1874600597 ULHQTCARVBPQBF-VQHVLOKHSA-N 440.879 5.512 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OCC(=O)Nc2cccc(C)c2C)c(Cl)c1 1874610323 MLPBOOAVSPAWIS-ACCUITESSA-N 449.934 5.879 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 1874622849 YPGQMKXDOJQEBI-VIZOYTHASA-N 445.515 6.376 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)c(C)c1C 1874628317 XIQHUYNYHKEQTJ-NTEUORMPSA-N 443.543 5.842 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)CC(C)(C)C)c2)cc1OCCC 1874699134 GECCMOQRPKAKLT-ACCUITESSA-N 438.564 6.502 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OC(=O)c1ccc(N(C)C)cc1 1874710233 XRUNPVBMMDLQDI-UUILKARUSA-N 437.442 5.155 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2cccc(OC(=O)c3ccccc3F)c2)cc1Cl 1874713882 SIBFGPPOFISKJS-ZHACJKMWSA-N 440.854 5.612 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(Cl)cc2)CSc2nnc(CC(C)C)n21 1874886754 NMFIRVTYEOTVCK-HXUWFJFHSA-N 449.064 6.192 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)c([N+](=O)[O-])c1)c1ccccc1 1875127338 ZOTRWDIECRTBBP-QUJGQYFQSA-N 447.874 5.853 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3OC)cc2Cl)cc1 1875142945 BARUAHKELDPINU-VZUCSPMQSA-N 436.891 5.781 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1ccncc1 1875170337 RYDCMCOAMYCKTA-VQHVLOKHSA-N 429.516 5.829 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cc(Cl)c(OC(=O)C2CC2)c(OC)c1 1875179390 IBKCJSQVXMDTHJ-QPJJXVBHSA-N 435.303 5.531 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(N(C)C)cc2)cc1 1875180459 NOLAKVGLRYCEAH-VGOFMYFVSA-N 449.934 5.838 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)c1cccs1 1875190711 NCCLUJHDCPKNHA-XBXARRHUSA-N 433.312 6.179 30 10 IKEE C=CCn1c(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc2c(NCCCCc3ccccc3)ncnc21 1875229844 HZEFNFUKOIEEIH-NHCUHLMSSA-N 445.611 5.170 30 10 IKEE CC(C)(C)OC(=O)NC1([C@@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)CCCC1 1889836182 QQOCPGVMHRXTJS-LJQANCHMSA-N 429.561 5.153 30 10 IKEE O=C(CCc1cc(Cl)cc(Cl)c1)NCC#CCOc1cccc(C(F)(F)F)c1 1891124843 ITPOTELYMYEVMJ-UHFFFAOYSA-N 430.253 5.143 30 10 IKEE COc1ccc(NS(=O)(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)cc1C#N 1892093593 NQHKNDBMMQDZQU-UHFFFAOYSA-N 448.422 5.179 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C(C)(C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1922091971 OKJUPOBEHMVZPA-RPWUZVMVSA-N 444.660 5.801 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@H]1CC2(CCCC2)CN1C(=O)OC(C)(C)C 1922115628 IYEPVYLLYZVNOC-DHIUTWEWSA-N 428.617 5.307 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)[C@H]2CCC[C@@H]21 1926546942 WDMFEEUIYKQVLW-KEWLPNKHSA-N 445.535 5.249 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 1943894958 POXXKISBOGDKEE-MBSDFSHPSA-N 433.524 5.297 30 10 IKEE CN[C@H](CC#CC1CCCCC1)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 1944818310 DSANOQUDAFHIGZ-TUACAJSNSA-N 428.617 5.047 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@@]2(C#N)N(C(=O)OC(C)(C)C)C2CCC2)C1 1950304523 HNHFLNCVTFLWEU-RPWUZVMVSA-N 433.593 5.240 30 10 IKEE CC[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 2014642158 BTDLAJTWJLEKSU-FDDCHVKYSA-N 449.979 5.763 30 10 IKEE CCOc1ccc(C(=O)C(=Cc2cccc(OC)c2OC)c2nc3ccccc3o2)cc1 2053497411 IYWMJZGJVOBLCB-UHFFFAOYSA-N 429.472 5.667 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C12CCC2 2057186417 XHSVJEAJFUHOLI-XMMPIXPASA-N 445.535 5.393 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCN(C(=O)OC(C)(C)C)C[C@H]2C)c1 2070602306 FQEJURZQWIJHKQ-CLOONOSVSA-N 443.588 5.666 30 10 IKEE Cc1ccc([C@H](C2CC2)n2nc(C3CCC3)c(C#N)c2I)c(F)c1 2079080384 IGFQBGCJGZDEOL-SFHVURJKSA-N 435.284 5.074 30 10 IKEE CC1(c2nn([C@@H](c3ccc(C(F)(F)F)cc3F)C3CCC3)c(Cl)c2C=NO)CC1 2079943594 DXGOKRBEFZBJLT-MRXNPFEDSA-N 429.845 5.944 30 10 IKEE CC(C)c1ccc([C@H](n2nc(C(F)(F)F)c(C=NO)c2Br)C(C)(C)C)cc1 2079982695 AOCVOMYEHFJKDG-INIZCTEOSA-N 446.311 6.231 30 10 IKEE FC(F)c1nn(C(F)F)c(I)c1-c1ccccc1C(F)(F)F 2080725776 CBNXADWYPMXAMN-UHFFFAOYSA-N 438.084 5.506 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@]1(O)CN(Cc2ccccc2)C2(CCCCC2)C1 2100074125 HSZZMBFGYOOFGU-XRKRLSELSA-N 448.651 5.077 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@](C)(C#N)C(F)(F)C(F)(F)F 2126066899 AWCWULZDFNGMOX-AWEZNQCLSA-N 443.210 5.670 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1ccc2c(c1)COC2 2156032550 CFJWLTBCVPFYME-LJQANCHMSA-N 429.314 5.486 30 10 IKEE COc1ccc(C)cc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2157900247 MLRUBVLDCJMONJ-GOSISDBHSA-N 431.330 5.773 30 10 IKEE N#Cc1ccc(Br)cc1NC(=O)C1CC2(CC(OCc3ccccc3)C2)C1 2160247757 FQIMKROHPKMBKN-UHFFFAOYSA-N 425.326 5.035 30 10 IKEE CCC[C@]1(CNc2ccc(C#N)cc2Br)CCCN(C(=O)OC(C)(C)C)C1 2162417104 YGNDYCYNJAEGHS-OAQYLSRUSA-N 436.394 5.550 30 10 IKEE CCCN(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1ccc(C#N)cc1Br 2174813013 RCAKSYBXOOVRBD-KRWDZBQOSA-N 436.394 5.327 30 10 IKEE C[C@H](c1cccs1)N(Cc1ccccc1)Cc1cscc1B1OC(C)(C)C(C)(C)O1 2214601253 DZSSZLKMSFFVNC-GOSISDBHSA-N 439.455 5.872 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)ccc1Cl 2224128689 XNNRQXYBZPYPMY-UHFFFAOYSA-N 446.740 5.174 30 10 IKEE CCCCCCC[C@H](O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229119816 YTCLUYXUOZIHMK-OALUTQOASA-N 428.411 5.606 30 10 IKEE Cc1nc(Nc2ccc(Br)cc2I)c(Cl)cc1C#N 2231654578 DQBZWZMAHWRNRX-UHFFFAOYSA-N 448.489 5.026 30 10 IKEE Cc1ccc([C@H](N)C#Cc2ccccc2Br)c(NC(=O)OC(C)(C)C)c1C 2235731490 QRENLARFQMSTGQ-LJQANCHMSA-N 429.358 5.464 30 10 IKEE CCCCCC#CC[C@@H](O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237383051 QZASJHVKBXKFMA-VQTJNVASSA-N 438.406 5.220 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1sc(Br)c(C)c1C 2254707549 XMRCPJONXIPVPP-CABCVRRESA-N 431.440 5.638 30 10 IKEE CCN[C@@H](C#CC1CCCCC1)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2289684537 OGDFJOMRWFDKPU-FQEVSTJZSA-N 435.406 6.030 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)C(C)(C)CN(C)C(=O)OC(C)(C)C 2296275443 ZGQNJQREWJOZGS-IBGZPJMESA-N 437.422 5.062 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)CC1(NC(=O)OC(C)(C)C)CCC1 2296283812 KLRZRSVOEXNZAI-IBGZPJMESA-N 435.406 5.006 30 10 IKEE CCOc1ccc(N=C2SC(=Cc3cc(C)n(-c4ccccc4)c3C)C(=O)N2CC)cc1 2297461809 CETBOSDRFADZJF-UHFFFAOYSA-N 445.588 6.117 30 10 IKEE CCOC(=O)c1ccc(NC=C2C(=O)c3ccccc3-c3oc(C)c(C(=O)OCC)c32)cc1 2297497668 TUZIYLWJFSRREK-UHFFFAOYSA-N 445.471 5.258 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@H](C#N)[C@@]1(C)CCCCN1C(=O)OC(C)(C)C 2302518722 IWORSLFTNBGHQY-NTKDMRAZSA-N 435.609 5.628 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C2CC2)c1 2320910622 SHOQMGHFCOXRLR-UHFFFAOYSA-N 433.364 5.645 30 10 IKEE Cc1ccccc1COc1ccc(C=Nn2cnnc2SCCc2ccccc2)cc1 2321295702 AMMHADFVHMDZPX-UHFFFAOYSA-N 428.561 5.383 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OCc3c(Cl)cccc3Cl)cc(C)c2C1=O 2321780179 BPPZBAWCMUCSDT-UHFFFAOYSA-N 431.340 6.867 30 10 IKEE COc1ccc(OC)c(C=C2Oc3c4c(cc(C)c3C2=O)OCN([C@H]2CCCC[C@H]2C)C4)c1 2322146225 UMJLATCJXAWEOB-IERDGZPVSA-N 449.547 5.359 30 10 IKEE O=C(C=Cc1c(OCc2cccc(Cl)c2)ccc2ccccc12)c1ccc([N+](=O)[O-])cc1 2322474557 WKZWVINMCRNMJU-UHFFFAOYSA-N 443.886 6.877 30 10 IKEE Cc1ccc(NC(=O)COc2ccccc2C=CC(=O)c2cccc3ccccc23)c(C)c1 2322711965 IMOJDUBTLWIYRW-UHFFFAOYSA-N 435.523 6.370 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1OCC(=O)Nc1ccc(F)cc1 2323230556 JOZGUAPPCLCOFG-UHFFFAOYSA-N 441.405 5.026 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)cc1OCc1ccccc1 2323248254 VDFKNBIELPQJCK-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)ccc1OCc1cccc2ccccc12 2323481563 UMDANRZIHATQPX-UHFFFAOYSA-N 436.551 7.276 30 10 IKEE CCCc1nnc(S)n1N=Cc1ccc(OCc2cccc(Cl)c2)c(OCC)c1 2323486782 FLONIJWSRHRNTQ-UHFFFAOYSA-N 430.961 5.033 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OCC(=O)Nc1cccc(C)c1 2323896706 MEZVQLYYMDQYJJ-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE Cc1ccccc1COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1Br 2324241640 CVIOTBKDZDVLOQ-UHFFFAOYSA-N 443.287 6.511 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2sccc2C)C3=O)cc1 2324454139 CHWLYBMZPYJKHN-MRXNPFEDSA-N 449.528 5.396 30 10 IKEE CC(C)(C)c1ccc(OCCOc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2324685182 ZGWFPWSVKRJPLK-UHFFFAOYSA-N 448.946 6.712 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3)n2N=Cc2cccc(O)c2)c1 2325449175 INLIYQKMZZJJJB-UHFFFAOYSA-N 442.588 5.560 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1cccc(OCC)c1 2325541025 JWHPBATXXKLPIA-UHFFFAOYSA-N 446.979 5.986 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccccc3Cl)c2)cc1C 2325713208 UFIIFLWLFDNXKQ-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1)c1ccc(F)cc1F 2325726125 OFGSEICCFUPDBT-UHFFFAOYSA-N 443.789 5.642 30 10 IKEE CC(C)c1ccc(O[C@H](C)C(=O)Oc2cccc(C=CC(=O)c3ccc(Cl)cc3)c2)cc1 2325730366 PGPFOQQVOPGLTJ-LJQANCHMSA-N 448.946 6.732 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2ccc(C(C)C)cc2)cc1OC(=O)C1CC1 2325750531 LLNRINYUISJZCA-UHFFFAOYSA-N 443.337 5.793 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cccc(OC(=O)c2ccc(F)c(F)c2)c1 2325763503 LHBWUUBMIAUECR-UHFFFAOYSA-N 442.845 6.051 30 10 IKEE CCCc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3c(C)cc(C)cc3C)c2)cc1 2325764676 IAHJTLRCZYUNQB-UHFFFAOYSA-N 442.555 6.445 30 10 IKEE CCOc1cccc(C=Nn2c(CCCOc3ccc(Cl)cc3)nnc2SCC)c1 2326002851 PNUCKSHBFYYEKZ-UHFFFAOYSA-N 444.988 5.336 30 10 IKEE CC(C)(C)c1cc(C=Nn2cnnc2SCc2ccc(F)cc2)cc(C(C)(C)C)c1O 2326234163 AXSRYWFYAZEDNY-UHFFFAOYSA-N 440.588 5.892 30 10 IKEE COc1cccc(C=Nn2cnnc2SCc2ccc(F)cc2)c1OCc1ccccc1 2326234164 BJXWIAXPUJTSEF-UHFFFAOYSA-N 448.523 5.179 30 10 IKEE CCn1c(C)c(C=Nn2c(C)nnc2SCc2ccc(C(C)(C)C)cc2)c2ccccc21 2326323864 SRNJXIWHMLQTRQ-UHFFFAOYSA-N 445.636 6.342 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1N=Cc1cccc(C(F)(F)F)c1 2326384935 KBQSDJVIDKSWQY-UHFFFAOYSA-N 432.515 6.122 30 10 IKEE CCCCOc1ccc(C=Nn2cnnc2SCc2cc(C)cc(C)c2)cc1OCC 2326393138 SXRCJDLDZWLBRY-UHFFFAOYSA-N 438.597 5.647 30 10 IKEE CCCCc1nnc(SCc2ccc(Br)cc2)n1N=Cc1cccs1 2326625554 QIGLUUXLQAVIBN-UHFFFAOYSA-N 435.416 5.619 30 10 IKEE CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccc(C(F)(F)F)cc1 2326881294 SVWYRTNHKCAEHJ-UHFFFAOYSA-N 434.531 5.660 30 10 IKEE CCCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1c[nH]c2ccccc12 2327300383 PNASWPPJHDYZQB-UHFFFAOYSA-N 433.581 5.648 30 10 IKEE CCc1ccc(C=Nn2c(CCc3ccccc3C)nnc2SCc2ccccc2)cc1 2329486365 NQVOPOZBUCNFDP-UHFFFAOYSA-N 440.616 6.109 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2ccccc2Cl)n1N=Cc1ccncc1 2329745883 ATNXONFLMZVDCO-UHFFFAOYSA-N 437.931 5.231 30 10 IKEE Cc1cccc(C=Nn2c(CC3CCCCC3)nnc2SCC(=O)Nc2ccccc2)c1 2330222926 FRZCYJHSVQXODM-UHFFFAOYSA-N 447.608 5.322 30 10 IKEE CCOc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccccc2)cc1 2330271439 HIIJEMISMSNQPX-UHFFFAOYSA-N 434.609 5.974 30 10 IKEE CCCSc1nnc(Cc2cccs2)n1N=Cc1cc(Br)ccc1F 2330416489 UFZIIHWYKNOHPJ-UHFFFAOYSA-N 439.379 5.216 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OC(=O)C1CCC1 2330635193 RTHMHNLTVIUIGX-UHFFFAOYSA-N 429.856 5.249 30 10 IKEE COc1cc(C=Nn2c(SCc3cc(C)ccc3C)nnc2-c2ccccc2)ccc1O 2330672126 WENVLJDTMZWASO-UHFFFAOYSA-N 444.560 5.451 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)CCc1ccccc1 2330705307 XHBKVFLJEHFGSQ-UHFFFAOYSA-N 440.539 6.008 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(OC)c2)cc(Cl)c1OC(=O)CC(C)C 2330724293 XPBNQUXWYJAMFT-UHFFFAOYSA-N 446.927 5.604 30 10 IKEE CC(C)c1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccc(Cl)cc2)cc1 2330867594 PMCPNAJXEKNFIM-UHFFFAOYSA-N 441.044 6.818 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccccc1F 2331039476 HCYFQNHTOVPBSD-UHFFFAOYSA-N 435.407 5.248 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2ccccc2)c1 2331044437 IVPDAFKSBBHZHD-UHFFFAOYSA-N 433.581 5.166 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)c1ccc(F)cc1F 2331078010 KFFQBYYODLZDGL-UHFFFAOYSA-N 438.426 5.487 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2)cc1 2331138424 JOFNRNLTTLHGPX-UHFFFAOYSA-N 434.919 6.173 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc(C=CC(=O)c2ccccc2)cc1Br 2331169205 KGQATLZGJRXBRE-UHFFFAOYSA-N 435.317 5.883 30 10 IKEE Fc1cccc(Cl)c1C=Nn1c(SCc2cccc(Cl)c2)nnc1-c1ccco1 2331225392 RKNJIKZKGVNVTB-UHFFFAOYSA-N 447.322 6.159 30 10 IKEE COc1cccc(C(=O)Oc2c(OC)cc(C=CC(=O)c3cc(C)ccc3C)cc2OC)c1 2331318304 VTARQXQBZDMXIN-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)c1cccs1 2331324351 NUHNPXGFOKHUPW-UHFFFAOYSA-N 440.948 6.532 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)C2CCCC2)c(Br)c1 2331361331 JTMGDXILMUSPGR-UHFFFAOYSA-N 443.337 5.758 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)Cc1ccc(OC)cc1 2331534440 HUAXDPOINYHQAB-UHFFFAOYSA-N 434.463 5.277 30 10 IKEE COCCC(=O)Oc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc1Cl 2331548638 NCOJLNZURNMHCN-UHFFFAOYSA-N 430.928 5.484 30 10 IKEE CCCOc1c(C=Nn2c(SCc3ccc(C)cc3)nnc2C(C)C)cccc1OC 2331669710 HHQMHOPIJDENHC-UHFFFAOYSA-N 438.597 5.682 30 10 IKEE CC(C)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccc(C(C)(C)C)cc1 2331688842 HYJKHSHFQSWABL-UHFFFAOYSA-N 437.569 5.782 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1C 2331706624 CKTFNSIZSTWBFQ-UHFFFAOYSA-N 433.435 5.395 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccccc1Cl 2331708767 WDVXEHHTBUROAA-UHFFFAOYSA-N 439.799 6.536 30 10 IKEE CC(C)(C)CC(=O)Oc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1Cl 2331860176 STQADKAGZXNHIQ-UHFFFAOYSA-N 425.739 6.885 30 10 IKEE CCCCOC(=O)c1ccc(-c2ccc(/C=N/Nc3ccc(OC)cc3[N+](=O)[O-])o2)cc1 20615067 ODFACLBOGCJEKG-BUVRLJJBSA-N 437.452 5.266 30 10 IKEE CC[C@H](C)Oc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 20883795 QMYZHVOKBCTQRT-FJZVYHFZSA-N 444.600 6.905 30 10 IKEE N#CC1(c2ccc(NC(=O)c3cccc(-c4cc5ccccc5oc4=O)c3)cc2)CCCC1 30829062 UWOVFLYLGBVDJM-UHFFFAOYSA-N 434.495 6.048 30 10 IKEE Cc1ccc(/C=C2/C(=O)c3c(Oc4ccc(Cl)cc4)cccc3[C@H]2c2ccccc2)cc1 33371955 ALEFMTZWRAUYNF-NTWBUQQASA-N 436.938 7.853 30 10 IKEE CCCCN(CCCC)Cc1c(O)ccc2c1O/C(=C/c1ccc(OC)cc1OC)C2=O 37857843 OWNLSVNACKUEPW-BUVRLJJBSA-N 439.552 5.428 30 10 IKEE CCCCCCOc1ccc(C(=O)c2c(C)c(C#N)c(=O)n(CCCCCC)c2O)cc1 38627127 POQDOTJBRAMXNB-UHFFFAOYSA-N 438.568 5.504 30 10 IKEE C=CCOc1cccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cccc(C)c2)c1 39876762 AQVZEYVWOQRXTP-DEOSSOPVSA-N 441.458 5.555 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccc(C(C)(C)C)cc1 40095857 UKIIYWRDPZRVBG-BXKMTCNYSA-N 447.575 5.686 30 10 IKEE C=CCc1ccccc1OCCn1c(CCNC(=O)C2CCCCC2)nc2ccccc21 40198468 GCZDQNIWOKBGSL-UHFFFAOYSA-N 431.580 5.083 30 10 IKEE Cc1c(OC(=O)c2cc3ccccc3o2)ccc2c1O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 41352451 HIEMDXBXLBTPCO-MTJSOVHGSA-N 441.395 5.485 30 10 IKEE O=C(Cc1cccs1)Oc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 41354772 DRBOOWZJKBSZBX-MYYYXRDXSA-N 438.504 6.179 30 10 IKEE C=CCOc1c(Br)cc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC 96766247 VFJFICFGMPMJPG-YHYXMXQVSA-N 432.270 5.217 30 10 IKEE C=C(C)COc1ccccc1NCC(=O)NCCCCCCCCCCCCCCCC 100084584 YTNDGKNETHWRBL-UHFFFAOYSA-N 444.704 7.651 30 10 IKEE CCCCCCCCCCCCCCCCNCc1cccc(OCCCCCCC)c1 100125271 QZBPXHZJLIAWRP-UHFFFAOYSA-N 445.776 9.607 30 10 IKEE CCCCCCCOc1ccc(C(=O)Oc2ccc(C(C)C)cc2Br)cc1 100219575 NPONKMBLXGCHLZ-UHFFFAOYSA-N 433.386 7.141 30 10 IKEE C/C=C/C(=O)NCCCCCc1nc2ccccc2n1CCCCCCCCCCC 102173049 VRDOUSUOYJKHOA-JJPRUIFNSA-N 425.661 6.972 30 10 IKEE C=CCc1cc(/C=C2\C(=N)N3C=CSC3=NC2=O)cc(OC)c1OCc1ccc(C)cc1 103719365 WZBVRUNTIHVDRA-FEGZGKEQSA-N 445.544 5.088 30 10 IKEE C[C@@H]1CC/C(=C/c2c(Cl)cccc2Cl)C(=O)/C1=C\c1c(Cl)cccc1Cl 108489610 OMNFGJKJTUMWAP-SFMSTMRBSA-N 426.170 7.766 30 10 IKEE CCCCCCOc1ccccc1C(=O)/C=N\n1c(S)nnc1CCc1ccccc1 169911279 PIRQPAIJGLIBHW-BWAHOGKJSA-N 436.581 5.028 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2cccc(C)c2)c1 169930905 LFLRLMUBXQGUTH-XMMPIXPASA-N 443.499 5.104 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C)c(C)c2)c1 169932700 RLPOZFFKUFPWEW-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2ccccc2OC)cc1 169942328 CLLHQNLKLIVCLT-DEOSSOPVSA-N 443.499 5.049 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccc(O)cc2)c1 169958768 YMSANOFWXAXAHK-DEOSSOPVSA-N 438.483 5.273 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccc(O)cc2)cc1 169960593 PPQMHAXPHMINRI-DEOSSOPVSA-N 443.499 5.191 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 170059732 TUWINEURLXXDBY-XMMPIXPASA-N 449.978 6.130 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(F)cc2)cc1C 170065427 ORXVUVFCDSZMGY-QHCPKHFHSA-N 449.453 5.060 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2cccc(O)c2)c1 170080982 WDFPJZSKTSXGGB-JOCHJYFZSA-N 449.890 5.227 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(N(C)C)cc2)cc1 170129986 BUNPUAIPOGIBGK-DEOSSOPVSA-N 448.563 5.061 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC(C)C)cc3)[C@@H]2c2cccs2)c1 170156625 RXKNYEQOVDWAST-QHCPKHFHSA-N 447.556 5.874 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1cccs1 170159826 YEJVDLTXVDLDCX-NRFANRHFSA-N 430.485 5.021 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccccc1)c1ccc2c(c1)CCCC2 170223043 OBUHIKUPAFLDBE-XMMPIXPASA-N 445.465 5.627 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccccc2)cc1C(C)C 170224589 SDOWBDTWEDVZJX-DEOSSOPVSA-N 443.499 5.307 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2ccccc2)c1 170229048 RLUFYPVVNFWUTA-QHCPKHFHSA-N 449.453 5.535 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(Cl)c(Cl)c1 170246513 JWXIAFPOJJUKAQ-LJQANCHMSA-N 430.287 5.728 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1ccccc1F 170253132 YTCGTWUXJYTXBZ-JOCHJYFZSA-N 425.500 5.381 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1c[nH]c2ccccc12)c1ccc2ccccc2c1 170254336 SLWYTQHVEVGLLG-SANMLTNESA-N 444.490 6.104 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)c(C)c2)[C@H]1c1ccc(CC)cc1 170268383 ANUWDHVUDUWJKH-RUZDIDTESA-N 449.591 6.115 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1Cc1cccs1 170269865 DFTMPNHBWNOABK-QFIPXVFZSA-N 429.497 5.581 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccc(C)o2)cc1C 170302552 AZBLSQUITPZMLX-DEOSSOPVSA-N 445.515 5.695 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2c2ccc(F)cc2F)o1 170305813 XTAQZRAREWWHCR-QHCPKHFHSA-N 449.453 5.528 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1c1ccccc1O 170314505 UENWTACAYGCTAQ-NRFANRHFSA-N 449.528 5.332 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2sccc2C)c1 170317117 GRAYQRXDUQMGFD-OAQYLSRUSA-N 448.544 5.019 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 170345592 WMWHOTOLHMQFOQ-DEOSSOPVSA-N 441.527 5.776 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C(C)C)cc2)cc1 170360206 LJINWROUQWXJGR-VWLOTQADSA-N 441.527 5.992 30 10 IKEE Cc1occc1C(=O)Nc1ccc(C(=O)/C=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 210043868 ADXFBSAXFLWCSS-LUAWRHEFSA-N 442.427 5.905 30 10 IKEE CCOC(=O)c1ccc(-c2ccc(C=NNc3oc(-c4ccc(C)cc4)nc3C#N)o2)cc1 254297122 KHWJAISNJZWVRK-UHFFFAOYSA-N 440.459 5.404 30 10 IKEE O=C1/C(=C\c2c(Cl)cccc2Cl)SC(=Nc2ccccc2)N1c1ccccc1 254814263 DZJPWZNHDUOBSF-ONWPUYBOSA-N 425.340 6.802 30 10 IKEE N#Cc1ccc(CNc2ccc(I)c(Br)c2)c(Cl)c1 311683995 DCBIJBFDKPSKOX-UHFFFAOYSA-N 447.501 5.191 30 10 IKEE CCCCCOc1ccc(/C=N\n2cnnc2SCc2ccc(F)cc2)cc1OC 526801624 XTLVOLPQGVDKFW-QFEZKATASA-N 428.533 5.169 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccc(O)c(Cl)c1 526817595 POSYGYGURKHTSU-AFPJDJCSSA-N 425.316 5.167 30 10 IKEE CCCCc1nnc(SCc2ccc(Br)cc2)n1/N=C\c1ccccc1F 526820793 ITNDMPXNYUYAMN-QRVIBDJDSA-N 447.377 5.697 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(NC(=O)Nc3ccc(C)cc3)CC2)c1 586090969 DOHKJSFIFWNQND-UHFFFAOYSA-N 434.584 5.259 30 10 IKEE C=CCNC(=O)Nc1cccc(C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1 586636890 LDOKREATANJXRA-UHFFFAOYSA-N 447.347 5.677 30 10 IKEE COc1ccc(Br)cc1[C@@H](C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 698826090 QOCROJWNXHITOJ-MRXNPFEDSA-N 437.359 5.521 30 10 IKEE CC(C)[C@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 698902212 LCPNJLLHYMGCMW-OALUTQOASA-N 435.540 5.256 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1cccc(C(F)F)c1 710830691 MGCIUWNMVFZICQ-QGZVFWFLSA-N 437.284 6.393 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](c2cc(C(F)(F)F)ccc2Br)[C@@H](CS)C1 1614694741 RFVBIMYDTKSTHK-MFKMUULPSA-N 440.325 5.348 30 10 IKEE Cc1ccc([C@@H]2[CH]c3ccccc3O/C2=N/N=C2\SCC(=O)N2Cc2ccccc2)cc1 1614732958 ILCNSTKMIDLGLZ-DWHVKYRYSA-N 440.548 5.169 30 10 IKEE CCc1ccc(/N=C2/S/C(=C/C=C/c3ccco3)C(=O)N2c2ccc(CC)cc2)cc1 1614807162 RJXXUGCFOVIERG-ITALNTOTSA-N 428.557 6.769 30 10 IKEE O=C1/C(=C\c2c(Cl)cccc2Cl)SC(=Nc2ccccn2)N1C1CCCCC1 1772731566 PKBGSWUNRNATQX-MRKXPFMVSA-N 432.376 6.325 30 10 IKEE Cc1c(N=Nc2ccc(N=Nc3ccccc3)cc2)c(O)n(C2CCCCC2)c(=O)c1C#N 1772741204 ZFHVVXDLZBHXKO-UHFFFAOYSA-N 440.507 7.070 30 10 IKEE Cc1c(N=Nc2ccc(Cl)c(Cl)c2)c(O)n([C@@H](C)c2ccccc2)c(=O)c1C#N 1772741360 ICGHXNCURZYNIX-ZDUSSCGKSA-N 427.291 6.066 30 10 IKEE NC(=S)N/N=C\c1cn(-c2ccccc2Cl)nc1-c1ccc(-c2ccccc2)cc1 1857807588 QWXCEAVYVQFJAB-WGARJPEWSA-N 431.952 5.027 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc3c(OC(=O)Nc4ccc(F)c(F)c4)cccc23)c1 1858780182 NVPXVOYCGDPWHL-UHFFFAOYSA-N 443.409 5.853 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)c2cc3cc(Cl)ccc3o2)nc2ccccc12 1859750188 OXMQSUVRIOPGKE-UHFFFAOYSA-N 427.851 5.253 30 10 IKEE N#Cc1c(-c2ccccc2)ccnc1N1CCN(c2nc3ccc(Cl)cc3s2)CC1 1859819172 NRXGNRJYAFQQQW-UHFFFAOYSA-N 431.952 5.210 30 10 IKEE C=CCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C1CCN(Cc2ccccc2)CC1 1860027734 DYEFSXXNPXKAJW-SFHVURJKSA-N 447.406 5.440 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)c1cccc(Br)c1 1861327617 WNQXPXJZCQZUPI-FQEVSTJZSA-N 439.438 5.605 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CC)cc1 1862388417 INRRNSWQSYBYAN-HXUWFJFHSA-N 447.362 5.438 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc(C)cc2)cc1 1862389290 CGQJJUDUOZUWLU-OLLUBJOZSA-N 445.603 6.495 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(O)cc2)cc1 1862389840 PEVJANFZXQIPOF-HSZRJFAPSA-N 431.488 5.106 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(Cl)cc1Cl 1862417373 YZGYXROWTBEQKF-SFHVURJKSA-N 440.273 5.506 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc2cc[nH]c2c1 1862476460 AKYABMUINBHIFM-RDGATRHJSA-N 444.575 6.414 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc(Cl)c1 1862477089 SAYFZDKKGYYKQW-JTHBVZDNSA-N 439.983 6.586 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC)c(OC)c1 1862481338 CQZUGGMMDORWQV-HSZRJFAPSA-N 437.536 5.171 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(O)cc1 1862490509 XIIRPDUQWURYET-HYBUGGRVSA-N 435.564 5.946 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc([N+](=O)[O-])cc1 1862506284 LSFBXZUWLJDZMO-OAQYLSRUSA-N 440.471 5.201 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2cccc(O)c2)cc1 1862534173 RBCMGVKDKKLBOI-OSPHWJPCSA-N 427.500 5.294 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C2CCCCC2)cc1 1862565243 RVGSNDSXHXXIGA-XMMPIXPASA-N 447.579 5.026 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1cccc(Cl)c1)c1cccc(O)c1 1862591079 CRRKFVRSTXOSCK-OAQYLSRUSA-N 425.912 5.347 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 1862623697 VVLUQYGJFRSZHF-HXUWFJFHSA-N 445.481 5.991 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccc1Cl 1862652076 CEFVZSOFZJDNEC-HSZRJFAPSA-N 433.935 6.262 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CC(C)C)cc1 1862680080 UCXJCYLVGGWCKH-JOCHJYFZSA-N 425.500 5.239 30 10 IKEE CSc1cccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(C)c(C)c3)C2=O)c1 1862882979 QKUWHXHJKIXFEA-UHFFFAOYSA-N 439.540 5.294 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(Nc2ccccc2C#N)=C(c2ccccc2F)C1=O 1862924290 GCOHMTLJFPSARI-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE CCCOc1ccc(C2=C(Nc3cccc(C)c3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862976946 NSPZDJZSUWHYGI-UHFFFAOYSA-N 437.499 5.052 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccco2)=C(c2ccc(Cl)cc2)C1=O 1863533851 VQQUIFXJHFEWPQ-UHFFFAOYSA-N 442.987 5.943 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCCC)=C(c2ccc(OCC)cc2)C1=O 1863568578 HRQKGSGPIGOSII-UHFFFAOYSA-N 442.644 6.086 30 10 IKEE CCc1ccc([C@H]2CN(c3cc(Nc4ccc(C#N)cc4)nc(C(C)(C)C)n3)CCO2)cc1 1868355882 QRCXGBCSAXRXFX-HSZRJFAPSA-N 441.579 5.530 30 10 IKEE CCCCCCCCn1cc(OCc2cccc(F)c2)c(=O)cc1CN1CCC(C)CC1 1870614323 GWHKYMCFODQGJQ-UHFFFAOYSA-N 442.619 6.159 30 10 IKEE C=CCOc1cn(CCc2ccc(OC)cc2)c(CNc2ccc(Cl)c(C)c2)cc1=O 1870810444 CTCKIEXPQKFJOF-UHFFFAOYSA-N 438.955 5.238 30 10 IKEE C=CCn1cc(OCCOc2ccc(Cl)cc2)c(=O)cc1CNc1ccc(C)c(C)c1 1870882799 RQKSFOXEGQMQTL-UHFFFAOYSA-N 438.955 5.374 30 10 IKEE C=CCn1cc(OCCCCCC)c(=O)cc1CNc1ccc(N(CC)CC)cc1C 1871124112 OLALXKMOZHORCC-UHFFFAOYSA-N 425.617 5.760 30 10 IKEE Cc1cc(Cl)ccc1NCc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCC(C)C 1871254967 NOTHNHYCYFTWCL-UHFFFAOYSA-N 449.982 5.919 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1cccc([N+](=O)[O-])c1)C3=O)CN(Cc1ccccc1F)CO2 1871352478 LFHQYKFHKRJJBM-YVNNLAQVSA-N 446.434 5.011 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(O[C@@H](C)C(=O)Nc3ccc(Cl)cc3)ccc2C1=O 1871414599 OQIMFARAJNQPCZ-YOBACFSGSA-N 433.891 5.671 30 10 IKEE COc1ccc(OCCCOc2cc(C)c3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871415713 PQAQRDXCQNZTGK-NFRDBNIDSA-N 442.511 6.024 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCc4ccccc4C#N)cc(C)c3C2=O)cc1OC 1871436904 BCNGOHYIWAZEGA-MSXFZWOLSA-N 427.456 5.079 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(F)c(F)c2F)cc2c1C(=O)/C(=C/c1cccs1)O2 1871443011 JODAABLCUQXITR-MFOYZWKCSA-N 445.418 5.108 30 10 IKEE CCCCCCCCCCN=c1nc(N(CC)CC)[nH]c(=Nc2cc(C)ccc2C)[nH]1 1871670597 LTYKJMZHTKQIPX-UHFFFAOYSA-N 426.653 5.475 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cccc(F)c1)[C@@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1871989148 PNLLRAAORQFVRJ-MBSDFSHPSA-N 446.588 5.063 30 10 IKEE COc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 1872759840 AVJHCZXPDNNCJA-QHCPKHFHSA-N 446.572 5.733 30 10 IKEE COc1ccccc1CC(=O)[C@H](C#N)c1nc(-c2ccc(Br)cc2)cs1 1872765201 JVZRDDCOYRPYHR-INIZCTEOSA-N 427.323 5.000 30 10 IKEE COc1ccc(OC)c(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)c1 1872773396 MWLFRVGRIXROEP-NBILRRPASA-N 446.572 6.014 30 10 IKEE CCCCC1CCC(C(=O)[C@H](C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)CC1 1872785664 SFYXFELTOBMWOG-XPJNUEMQSA-N 436.665 7.589 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H](CC)CCCCC)=C(c2ccc(F)cc2)C1=O 1873137731 MIPFGJMEIGHFQE-JOCHJYFZSA-N 430.608 6.215 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C(=O)OC)cc2)=C(c2ccccc2)C1=O 1873415454 QSGVGGLDTSBKBT-UHFFFAOYSA-N 434.536 5.026 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1cc(Cl)cc(Cl)c1)n2C 1873619623 JEXUQPAZRKWARF-UHFFFAOYSA-N 448.398 6.300 30 10 IKEE CCSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1c[nH]c2ccccc12 1874204712 PMLCIZXFYQEGTM-BHGWPJFGSA-N 446.363 5.639 30 10 IKEE CCCOc1ccc(/C=N/n2c(COc3c(C)ccc(C)c3C)nnc2SCC)cc1 1874255322 VPUQRWLBTHRMCS-MFKUBSTISA-N 438.597 5.565 30 10 IKEE CCCSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1ccc(C(C)C)cc1 1874261139 KDRXOCVPMGNXHD-DHRITJCHSA-N 430.524 5.643 30 10 IKEE Cc1cccc(CSc2nnc(CCCOc3ccccc3)n2/N=C/c2ccc[nH]2)c1 1874317532 YIJPBWDJDRRKBC-YZSQISJMSA-N 431.565 5.101 30 10 IKEE Cc1ccc(CCc2nnc(SCCc3ccccc3)n2/N=C/c2cccn2C)cc1C 1874331397 LNWKVQLTYVQOEB-ZXVVBBHZSA-N 443.620 5.236 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccco1 1874369561 GUDLRSCCEPLVNQ-BHGWPJFGSA-N 447.322 6.159 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@@H](C)c3ccccc3)n2/N=C/c2sccc2C)c1 1874398790 FCTAIXKDURFSFP-WNFNFYEPSA-N 446.645 6.591 30 10 IKEE COc1ccccc1/C=N/n1c(Cc2cccs2)nnc1SCc1ccc(F)cc1 1874410663 GADCOWDWYPRBDN-ZVHZXABRSA-N 438.553 5.253 30 10 IKEE FC(F)(F)c1ccc(/C=N/n2c(SCCc3ccccc3)nnc2[C@@H]2CCCO2)cc1 1874445651 HTASTNYCMDTSPU-CRXVIZHGSA-N 446.498 5.365 30 10 IKEE Cc1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2c(F)cccc2Cl)cc1 1874451686 LJVWCMYVZDCSPH-DHRITJCHSA-N 428.964 6.211 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1/N=C/c1cccc(OCCC)c1 1874476209 JLIOOFYRRAZMHU-PCLIKHOPSA-N 426.561 5.723 30 10 IKEE CCCOc1c(/C=N/n2c(CCC)nnc2SCc2ccc(C)cc2)cccc1OC 1874504753 YLHYJQQDQDUMTP-PCLIKHOPSA-N 438.597 5.511 30 10 IKEE CCSc1nnc(C2CC2)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 1874518686 FHXAMHSMGHCUQG-ZMOGYAJESA-N 442.972 5.391 30 10 IKEE Cc1cccc(CSc2nnc(C)n2/N=C/c2ccc(OCc3ccccc3)cc2)c1 1874530509 NBFOZJHXQVAXBZ-WGOQTCKBSA-N 428.561 5.648 30 10 IKEE Sc1nnc(-c2cccs2)n1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1874559118 XFVPJJNKNHXZFX-MFKUBSTISA-N 442.569 5.910 30 10 IKEE Cc1ccc(Cc2nnc(S)n2/N=C/c2ccc(OCc3ccccc3)cc2)cc1C 1874562362 QXCYPZKNSYJFGY-WGOQTCKBSA-N 428.561 5.236 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1c(OCc2cccc(F)c2)ccc2ccccc12 1874591883 GYBHENBXCGRUDG-VAWYXSNFSA-N 446.905 7.116 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Br)c1OCCCO 1874613185 HKKBBLOXAIZQPI-BQYQJAHWSA-N 439.733 5.159 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(C)c3)c([N+](=O)[O-])c2)cc1 1874617340 WUOWYUXQAPFQAX-NTUHNPAUSA-N 431.488 6.167 30 10 IKEE CCCOc1c(Br)cc(/C=C/C(=O)c2cccc3ccccc23)cc1OC 1874623289 VLNAXNOEOWFROI-VAWYXSNFSA-N 425.322 6.296 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OCc2cccc(F)c2)c([N+](=O)[O-])c1 1874629425 BOUVYOXHIRZYRY-VQHVLOKHSA-N 435.451 5.834 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 1874632975 FUXUMALGTSVLBG-ACCUITESSA-N 445.515 6.394 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1OC(=O)c1sccc1C 1874695123 LUFDYADRGAQXSO-XVNBXDOJSA-N 447.339 6.487 30 10 IKEE O=C(Cc1ccc(Cl)cc1)Oc1cccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1 1874703024 VNNDCUOGORFGHM-IZZDOVSWSA-N 445.729 6.691 30 10 IKEE CCCCC1CCC(C(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)OCO4)c2)CC1 1874707628 OIOCUCGUYFNOCB-GXDHUFHOSA-N 434.532 6.213 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3ccccc3)c(OC)c2)cc1C 1875107912 PDVAARNAKFYZCY-PKNBQFBNSA-N 436.891 5.781 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc3ccccc23)c(Cl)c1)c1ccccc1Cl 1875113438 HKHKHQQAMPMJLR-WYMLVPIESA-N 447.317 7.262 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1 1875120501 WJJQYTABDHHSGJ-WLRTZDKTSA-N 426.846 6.053 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC(=O)[C@H](C)c1ccccc1 1875121764 GXBXBWPQHXKGBW-QIXNEVBVSA-N 434.919 6.344 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)c1cccc(Br)c1 1875129333 WQFFETONKDVMRE-ZRDIBKRKSA-N 437.289 5.573 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3ccccc3)cc2)cc1 1875129792 UHNOPTKWKFFFBG-XDHOZWIPSA-N 430.500 5.746 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3cccc(C)c3)c(OC)c2)cc1 1875129852 WWLZUEHXDCBRAB-NTEUORMPSA-N 446.499 5.526 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OCCC)cc2)cc(OC)c1OC(=O)CCCC 1875139139 SMNDRMZZYYPJQH-LFIBNONCSA-N 436.548 6.204 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(OC)c1OC(=O)CC(C)C 1875154732 SVDGTLVJJZSABO-CCEZHUSRSA-N 428.528 6.425 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1cccs1 1875170447 YOTJIFYQVUNPOE-PKNBQFBNSA-N 434.557 6.496 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCSC)cc2)c(OCC)c1 1875177407 JOQJLXHJIIAIIZ-XNTDXEJSSA-N 428.550 5.429 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc([N+](=O)[O-])c1OC(=O)CC 1875181155 QGZAQTIDMHPCJV-BQYQJAHWSA-N 447.871 5.175 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(C)c3)c(Cl)c2)cc1Cl 1875188957 QZSOHTMWYBZTEN-RMKNXTFCSA-N 441.310 6.426 30 10 IKEE CCCCCCCC(=O)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875653559 ZSUBNWPPCRBNPC-LJAQVGFWSA-N 446.587 6.808 30 10 IKEE CC1(C)OB(C=Cc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)OC1(C)C 1883108820 OXORTEAALUJKDI-UHFFFAOYSA-N 442.364 6.489 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](O)c1cccc(Br)c1Cl 1922047223 PTFOORWCUFNELE-SFTDATJTSA-N 438.793 5.277 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)C1CC(C)(C)C1 1924301697 YIZBXWFQALRISV-GOTSBHOMSA-N 430.633 5.457 30 10 IKEE Cc1sc(C)c([C@@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)c1Br 1930029008 ZYOJSDWOEHBECO-MRXNPFEDSA-N 435.387 6.129 30 10 IKEE C=CCCCCC[C@@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)NCCC 1947443394 VLEXMVBXDXCUOA-DEOSSOPVSA-N 431.665 5.518 30 10 IKEE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)c1cc(Br)cc(C#N)c1 1957283941 CLXIVQYZQRWLJQ-UHFFFAOYSA-N 444.373 5.242 30 10 IKEE C#C[C@@H](NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)CC)C(C)(C)C 1992005933 FWBLMXJTHMMAQK-XYHYBEPMSA-N 446.591 5.104 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 2014118331 SRXZTSYLSOQUJU-XMMPIXPASA-N 433.593 5.240 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1CCC2(CCC2)N1C(=O)OC(C)(C)C 2025391482 QTSMELYKAWBXTG-DHIUTWEWSA-N 428.617 5.450 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCCC[C@@H]2NC(=O)OC(C)(C)C)c1 2031497203 KNHVRMNQTYYNOH-CPJSRVTESA-N 443.588 5.856 30 10 IKEE CC(C)(C)OC(=O)N(CCN=[N+]=[N-])[C@@]1(C#N)CN(Cc2ccccc2)C2(CCCCC2)C1 2038672968 IVFNPQDGNUUGFW-DEOSSOPVSA-N 438.576 5.405 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CC(C)(C)[C@@H]2OCc2ccccc2)c1 2038722946 AAFNFAACMSRKPP-NVQXNPDNSA-N 436.552 5.714 30 10 IKEE N#Cc1c(C=Cc2cccc(Cl)c2)cc(-c2ccc(Cl)cc2)n2c1nc1ccccc12 2040461229 FSWMXHBUCZOOAA-UHFFFAOYSA-N 440.333 7.503 30 10 IKEE CC[C@H]1CN=C(Nc2ccc(C(=O)C=Cc3cc(Br)ccc3F)cc2)S1 2040480985 FBAMVIKJFDGUEB-KRWDZBQOSA-N 433.346 5.778 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)CC12CCCC2 2074132806 DZVURUOVYCKEGL-JOCHJYFZSA-N 448.568 5.140 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)C2(CCC2)C1 2075895677 NZSNDAVTRVCJAK-UXHICEINSA-N 447.620 5.486 30 10 IKEE ON=Cc1c(C(F)(F)F)nn([C@@H](c2ccc(C3CCC3)cc2)C2CC2)c1Br 2080004207 XHQNIHYSVCQUEN-INIZCTEOSA-N 442.279 5.739 30 10 IKEE CC(C)Oc1ccc([C@H](C2CCC2)n2nc(C(F)F)c(C=NO)c2Br)cc1 2080069797 XEDKTISWRDERTM-KRWDZBQOSA-N 442.304 5.568 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2cc(C)c(Br)s2)c1 2137593426 UAWNFLFNYHXTRZ-HNNXBMFYSA-N 437.359 5.834 30 10 IKEE CN(Cc1cccc(Br)c1Cl)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2166758458 VOAFJSHIQNNOEN-UHFFFAOYSA-N 436.586 5.038 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc2c(c1)N(c1ccc(C#N)c(Br)c1)CCC2 2174809728 DDCRSHMQBSPAJB-UHFFFAOYSA-N 428.330 5.752 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(Br)c(C#N)c2)C[C@H]1C1CCC1 2194105396 VNXDAMPNVGDPSE-HKUYNNGSSA-N 434.378 5.301 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(Br)cc2C#N)C[C@@H]1C1CCC1 2194114630 ZSUNLRMPNSHIAM-PKOBYXMFSA-N 434.378 5.301 30 10 IKEE CCCCCC#CC[C@@H](NCC)c1ccc(Br)cc1I 2207271282 HMPDKVZGRSBYHA-QGZVFWFLSA-N 448.186 5.678 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NC)c2ccc(Br)cc2Cl)C1 2222736024 ZDEYXYXLKLCTJK-INIZCTEOSA-N 429.786 5.224 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)[C@@H](CC=C(C)C)NC(=O)OC(C)(C)C 2235723710 LLXXGJWXNPDJJY-VQTJNVASSA-N 435.406 5.028 30 10 IKEE CCCCCCCC[C@@H](N)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237423820 DZYLUFGLMXWQBO-WOJBJXKFSA-N 441.454 5.963 30 10 IKEE CC(C)(C)OC(=O)N(CCC(=O)C#Cc1cccc(Br)c1)Cc1ccccc1 2242572593 YVXKLSCEVMHIEV-UHFFFAOYSA-N 442.353 5.197 30 10 IKEE COc1cc(C(=O)C=Cc2ccc(NC(=O)OC(C)(C)C)cc2)sc1Br 2278275392 UDIWBPAVEFKVLY-UHFFFAOYSA-N 438.343 5.762 30 10 IKEE CCC[C@@]1(CNc2c(Br)cccc2C#N)CCCCN1C(=O)OC(C)(C)C 2285180220 DESUPISDJGULOR-NRFANRHFSA-N 436.394 5.693 30 10 IKEE C=CC[C@]1(COc2cc(Br)c(F)cc2N)CCCCN1C(=O)OC(C)(C)C 2287707307 SGVXJCXDUFTKSA-HXUWFJFHSA-N 443.357 5.285 30 10 IKEE CCCCOc1ccc(C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)c2nc3ccccc3o2)cc1 2296845270 RWBUZTSQHYLNPR-UHFFFAOYSA-N 442.471 6.338 30 10 IKEE Cc1cc(C)cc(CN=C2NC(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)S2)c1 2313510911 CSWRXQFXQJURTM-UHFFFAOYSA-N 447.516 5.540 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(-c3ccccc3Cl)o2)SC1=Nc1nnc(C)s1 2314547086 CRVZYFBJQHHSQV-UHFFFAOYSA-N 442.953 5.550 30 10 IKEE Cc1cccc(C)c1NC(=O)CSc1nnc(C2CC2)n1N=Cc1cccc(Cl)c1 2320842465 ULNSPHQPLBFZAB-UHFFFAOYSA-N 439.972 5.039 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCc4ccccc4Cl)c3C)C2=O)cc1OC 2321761163 DOYAIBHDCHHPGX-UHFFFAOYSA-N 436.891 5.861 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc4c3CN(C35CC6CC(CC(C6)C3)C5)CO4)C2=O)cc1 2322238591 LRWRAQRUPPWYQN-UHFFFAOYSA-N 441.571 5.986 30 10 IKEE COc1ccc(CN2COc3c(cc4c(c3C)OC(=Cc3ccccc3F)C4=O)C2)cc1 2322305237 BGIZNWOUJFSGPG-UHFFFAOYSA-N 431.463 5.111 30 10 IKEE CCc1ccc(C=C2Oc3c(cc4c(c3C)OCN(CCOc3ccccc3)C4)C2=O)cc1 2322339035 IGLBRMYWJXRKFJ-UHFFFAOYSA-N 441.527 5.405 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCc2c(F)cccc2Cl)cc1OC 2322341299 YETGTYYQSJTSPV-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE CC1(C)OB([C@@]23C[C@@H]2CCN(Cc2sc(Cl)cc2Br)C3)OC1(C)C 2322532325 GVWLBWHRNRYXSJ-APPDUMDISA-N 432.620 5.222 30 10 IKEE COc1cc(Br)cc(C=CC(=O)c2ccccc2)c1OCCc1ccccc1 2322547045 VPVHKBUGZBDCHF-UHFFFAOYSA-N 437.333 5.975 30 10 IKEE C[C@H](NC(=O)COc1ccccc1C=CC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 2322681086 OMRUATOFADOEBQ-NRFANRHFSA-N 441.571 6.136 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccccc2F)c(OC)c1 2322904458 CDNIEVFRKITEAT-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(Cl)cc2C=CC(=O)c2c(C)cc(C)cc2C)cc1 2322948973 FYWPLYXSGVIOGK-UHFFFAOYSA-N 447.962 6.487 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cc(Cl)ccc1OCc1ccccc1F 2322959196 MZLUVPSTZUAPTO-UHFFFAOYSA-N 436.954 7.560 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OCC(=O)Nc1ccc(C)c(C)c1 2323164343 SPTXPTZNUMUCQY-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc2c(c1C)OC(=Cc1sccc1C)C2=O 2323177467 VWENEZPLNHARMI-UHFFFAOYSA-N 448.540 6.054 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2OC)ccc1OCc1c(F)cccc1Cl 2323718834 HZVBICWNRGRROU-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OCc1ccc(Cl)cc1 2323767828 BFIUBUCBHSNJJP-UHFFFAOYSA-N 427.327 6.867 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C)o2)C3=O)c(OCC)c1 2323790390 ZPOBWAWBBITFGJ-UHFFFAOYSA-N 448.471 5.529 30 10 IKEE N#C[C@H](C(=O)C=Cc1ccc(Cl)cc1Cl)c1nc(-c2ccccc2Cl)cs1 2324425566 NVWIBBUQMBXILX-OAHLLOKOSA-N 433.747 6.660 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2ccc(OCc3ccccc3)c(OC)c2)cc1Cl 2324430299 NIKFYZBEEVDUGC-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2cccc(F)c2)C3=O)c1 2324456017 LBADYRMSUZXOAU-GOSISDBHSA-N 445.490 5.773 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(Cl)c(Cl)c3)n2)cc1 2324504832 HMUFCOATFIILEA-QGZVFWFLSA-N 443.355 6.405 30 10 IKEE CCOc1ccc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1Br 2324598541 BZIGRSBSRXIYHC-UHFFFAOYSA-N 430.125 6.059 30 10 IKEE CC(C)c1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(C(C)(C)C)cc3)n2)cc1 2324647773 JORGEVQVBDMRSR-QHCPKHFHSA-N 428.601 7.121 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OCc2cc(C)ccc2C)c(Cl)c1 2324696911 NYRMXJXDLXAUEX-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE Cc1ccc(NC(=O)CCOc2cc(C)c3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1 2325227368 LRTYOFBLVFSSLJ-UHFFFAOYSA-N 447.918 5.981 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(OC)c(O)c1 2325532213 JWMXENYNZKQQBX-UHFFFAOYSA-N 446.576 5.663 30 10 IKEE CCCOc1cccc(C=Nn2c(C)nnc2SCc2c(Cl)cccc2Cl)c1 2325631352 SZSBWKITYPPUFQ-UHFFFAOYSA-N 435.380 5.857 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1cccc(C=CC(=O)c2cccc(Cl)c2)c1 2325728649 GLDXORCCUSRDJK-UHFFFAOYSA-N 425.311 6.428 30 10 IKEE CCc1ccc(CCC(=O)Oc2cc(C=CC(=O)c3ccc(Cl)cc3)ccc2OC)cc1 2325729795 WICZEKZDABERKU-UHFFFAOYSA-N 448.946 6.345 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccccc3-c3ccccc3)c2)c(C)c1 2325736477 OEDSSHHWLOAAOL-UHFFFAOYSA-N 432.519 7.086 30 10 IKEE Cc1cc(C)c(NC(=O)COc2ccc3c(c2)OC(=Cc2ccccc2C)C3=O)c(C)c1 2325736674 UHWATKHMTVJGNQ-UHFFFAOYSA-N 427.500 5.554 30 10 IKEE Cc1cc(C(=O)C=Cc2cccc(OC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)c2)ccc1F 2325742147 ODZVOWDDSDQWNB-FCHUYYIVSA-N 434.894 6.393 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)COc3ccc(C)cc3C)c2)cc1C 2325770942 OCVUEIAYMHWDHO-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE CCSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1ccc(F)cc1F 2325908783 RWXVOXBFULQKRI-UHFFFAOYSA-N 443.306 5.436 30 10 IKEE Cc1ccc(CSc2nnc(Cc3cccc4ccccc34)n2N=Cc2ccccc2)cc1 2327783248 ZHQLETALJDTILR-UHFFFAOYSA-N 448.595 6.505 30 10 IKEE C=CCSc1nnc(COc2ccc(OC)cc2)n1N=Cc1cccc2ccccc12 2328403558 QQHKXXKXXPDPLE-UHFFFAOYSA-N 430.533 5.179 30 10 IKEE Fc1ccc(CSc2nnc(Cc3ccc(Cl)cc3)n2N=Cc2ccc[nH]2)cc1 2329077034 LIUGOHUNWRTONK-UHFFFAOYSA-N 425.920 5.164 30 10 IKEE CCCSc1nnc(COCc2ccccc2)n1N=Cc1c(Cl)cccc1Cl 2329353460 IRBKASGLKFKXOE-UHFFFAOYSA-N 435.380 5.686 30 10 IKEE Cn1cccc1C=Nn1c(COc2ccccc2)nnc1SCc1ccccc1Cl 2329919410 WCIMPOCPSPNQDV-UHFFFAOYSA-N 437.956 5.024 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2cccc(Cl)c2)n1N=Cc1cccn1C 2330135757 AYBDZFZRGQBYQB-KRWDZBQOSA-N 435.984 5.596 30 10 IKEE O=[N+]([O-])c1cccc(C=Nn2c(CC3CCCCC3)nnc2SCCc2ccccc2)c1 2330275739 NTHMYVUHAGESSH-UHFFFAOYSA-N 449.580 5.526 30 10 IKEE CCOc1ccc(C=Nn2c(SCCc3ccccc3)nnc2-c2cccs2)cc1 2330588304 FWFVGTSJHTXBOK-UHFFFAOYSA-N 434.590 5.622 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCCc2ccccc2)nnc1-c1ccccc1 2330674933 CVOJZLDDRPGCLO-UHFFFAOYSA-N 442.588 5.951 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1OC 2330710801 JZFMAMOLBOKKID-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3[nH]c4ccc(C)cc4c3C)cc2)cc1C 2330855668 WBVHWXAUXOQCFM-UHFFFAOYSA-N 439.511 6.217 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3ccccc3C)cc2)cc1 2330952165 PNZATQFAMCNEMJ-UHFFFAOYSA-N 430.500 5.664 30 10 IKEE Cc1ccsc1C=Nn1c(SCc2c(F)cccc2Cl)nnc1[C@H]1CCCO1 2331009184 TXNNQNDWDITAEV-MRXNPFEDSA-N 436.965 5.467 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2C2CCCC2)cc1OC 2331017888 PLPJLCPGEZNOBV-UHFFFAOYSA-N 436.581 5.436 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cc(C)ccc3C)c(Cl)c2)c(C)c1 2331219060 IAGLGLAZBUBIFM-UHFFFAOYSA-N 432.947 6.618 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)c(C)c3)c([N+](=O)[O-])c2)c(C)c1 2331224658 ZQVZYSLUJKFWTL-UHFFFAOYSA-N 443.499 5.873 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2[N+](=O)[O-])c1 2331225320 LXAGKDYXPRGKDI-UHFFFAOYSA-N 429.472 5.944 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 2331240017 GPBTVQWDXLBJFM-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H](C)c3ccccc3)c(Cl)c2)cc1 2331304047 JGBQAHNMBUFFNW-LJQANCHMSA-N 448.946 6.734 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)c1ccc(F)cc1 2331312228 XHWIFIYUSRICON-UHFFFAOYSA-N 438.882 6.220 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)Cc1ccccc1 2331312302 FRCFWFRXGICGTA-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(-n3cccc3)cc2)c(Cl)c1)c1ccc(F)cc1 2331523008 UCQXSPQXJNYKIJ-UHFFFAOYSA-N 445.877 6.385 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CCC2)c1O 2331539768 SSCCDNITUGHXGU-UHFFFAOYSA-N 428.945 5.088 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CCC2)c1 2331541819 AKRKMCMHFISACP-UHFFFAOYSA-N 447.391 6.041 30 10 IKEE COc1cccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C2CCC2)c1O 2331547946 WTKSIRBSNAEOHO-UHFFFAOYSA-N 446.935 5.227 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(F)c3)cc2[N+](=O)[O-])cc1 2331562277 CXAMJROSRVWJQF-UHFFFAOYSA-N 437.398 5.551 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(Cl)cc1 2331661925 KLERZZMXGZXONI-UHFFFAOYSA-N 439.799 6.365 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)Cc1ccccc1 2331767662 ZKGVMGATQXAQKF-UHFFFAOYSA-N 444.527 5.673 30 10 IKEE CC1(C)C[C@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)[C@H]1OCc1ccccc1 2339579051 PWUHNUQHNRVJFD-JTHBVZDNSA-N 434.389 5.522 30 10 IKEE CCCN[C@@H](C#CC(C)(C)OC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2363531873 CFASWQWWWYYBKS-SFHVURJKSA-N 439.394 5.265 30 10 IKEE CN(Cc1ccccc1)S(=O)(=O)c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1 12493112 WXFXJMNTZIFMSV-YZSQISJMSA-N 430.529 5.117 30 10 IKEE Cc1ccc(/N=C2\S[C@@H](CC(=O)c3cc(C)ccc3C)C(=O)N2c2ccc(C)cc2)cc1 15055135 DPELVBFEAKIRNE-DEVZUPFRSA-N 442.584 6.329 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(OCC)c(Cl)c2)cc1 20884942 LIUPYHQYBSQZSA-IEBWSBKVSA-N 439.939 5.142 30 10 IKEE Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(O)c([N+](=O)[O-])c2)cc1 21218355 KZCSKTPJXRONOA-WXTAPIANSA-N 441.487 5.588 30 10 IKEE Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(OC(C)C)cc2)cc1 21223123 KAFQVDBQWATHGR-PZGXJGMVSA-N 438.571 6.762 30 10 IKEE Cc1cccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)c1C 21722315 FXWOBPGWIFFPJH-VWLOTQADSA-N 427.504 6.109 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccco2)=C(O)C(=O)N1c1cccc(C(F)(F)F)c1 32555273 ZWUCELZOSWAZHX-IBGZPJMESA-N 427.378 5.390 30 10 IKEE Cc1nn(-c2ccccc2)cc1/C=C1\CC(C)C/C(=C\c2cn(-c3ccccc3)nc2C)C1=O 33688468 PTKFOYVJYITOSK-WPHIWBHXSA-N 448.570 6.141 30 10 IKEE O=C(/C=C\c1ccnn1-c1ncc(C(F)(F)F)cc1Cl)c1ccc(Cl)c(Cl)c1 34876204 XGFYJBGRDYSNLL-RQOWECAXSA-N 446.643 6.142 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 40076793 LWXJMPHUDUUIQR-NRFANRHFSA-N 425.956 6.016 30 10 IKEE Cc1cc(C)c2c(c1)c(C)cc1nnc(S[C@H](C)C(=O)Nc3sc(C)c(C)c3C#N)n12 40170747 MUGUEMYMIQLEIK-MRXNPFEDSA-N 449.605 5.477 30 10 IKEE C=CCc1ccccc1OCCCn1c(Cc2ccc(OC)c(OC)c2)nc2ccccc21 40226290 XWDXCJYVEDXAAU-UHFFFAOYSA-N 442.559 5.842 30 10 IKEE COc1cccc(COc2ccc3c(c2C)O/C(=C\c2cc(OC)ccc2OC)C3=O)c1 41503839 UMZNLLPWZDSYRH-OYKKKHCWSA-N 432.472 5.216 30 10 IKEE C=CCNC(=O)c1cc(-c2csc(-c3ccccc3)n2)n(Cc2ccc(OC)cc2)c1C 43251638 YVJWOLOZWUOWPN-UHFFFAOYSA-N 443.572 5.560 30 10 IKEE CC(=O)C1=C(C)Nc2nc(SCc3ccccc3)nn2[C@H]1c1ccc(OC(C)C)cc1 54642218 RKNBIWNANTWKSW-QFIPXVFZSA-N 434.565 5.236 30 10 IKEE Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)CCC1CCCCC1 59240750 VOSYUBAKQBFKPR-OAQYLSRUSA-N 429.391 7.256 30 10 IKEE CC(=O)N(c1nc(/C=C\C(=O)c2ccccc2C(F)(F)F)cs1)c1cccc(C)c1C 96924464 PCDXDIXRGJAOJW-QXMHVHEDSA-N 444.478 6.359 30 10 IKEE CCCCCCCCc1c(C)nn(C(=O)COc2ccc(CC)cc2Br)c1C 100458876 LAYDGPPYVIWRNM-UHFFFAOYSA-N 449.433 6.447 30 10 IKEE C=CCN1C(=O)[C@H](CC(=O)Nc2c(C)cc(C)cc2C)S/C1=N/c1cc(C)ccc1C 105003865 NWBGBTNMXMVFRS-WHEOYJBGSA-N 435.593 5.375 30 10 IKEE CCCCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N/c1cccc(C)c1 106902561 GPKMHDDTLNBDOW-VHPLVOQASA-N 439.606 5.778 30 10 IKEE CCC(CC)c1nnc(S)n1/N=C\c1ccc(OCc2ccccc2F)c(OC)c1 169910457 RGSPBORPHRGGQB-CFRMEGHHSA-N 428.533 5.079 30 10 IKEE CCCCCCCOc1ccccc1[C@@H]1NC(=S)N(C)C(C)=C1C(=O)c1ccccc1 169934977 BLWDJLORDMPLEW-DEOSSOPVSA-N 436.621 6.054 30 10 IKEE COc1cc(/C=C2\CN(Cc3ccccc3)CCC2=O)ccc1OCc1cc(C)ccc1C 169941104 KFPWWCUMYPDTJR-PCLIKHOPSA-N 441.571 5.749 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2cccc(C)c2)c(C)c1 169970761 VABABQTVLAMMIW-DEOSSOPVSA-N 443.499 5.109 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2cccc3ccccc23)ccc1F 170044777 CGZLMDHFGDGYRB-DVECYGJZSA-N 445.490 5.045 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(OCCC)cc2)=C(N2CCC(C)CC2)C1=O 170089238 JZGYSZGRJIWCMR-UHFFFAOYSA-N 440.628 5.648 30 10 IKEE CC(C)Oc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccco2)cc1 170094961 CHQBCZLCGMREJQ-QHCPKHFHSA-N 443.455 5.596 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccco2)c1 170098115 JDNXAZWORCMTIB-FQEVSTJZSA-N 430.485 5.289 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@@H]2c2ccc(C)o2)cc1 170101480 SNTDKDFPZUWVTI-QHCPKHFHSA-N 447.487 5.087 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2sccc2C)cc1C 170106322 TZSDGXRHAKODGG-NRFANRHFSA-N 447.512 5.185 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1C1CCCCC1 170123766 ZYXZXBZEMHSWNF-RUZDIDTESA-N 441.527 5.759 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCCC)c2)[C@@H]1c1ccccc1OC 170125556 INRZDYYBJUHOAW-QHCPKHFHSA-N 437.536 5.253 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccc(OC(C)C)cc1 170151835 UATIMBACEGQOHW-HSZRJFAPSA-N 432.520 5.334 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2cccs2)cc1 170157702 HWYZGQCHGWNEAH-QHCPKHFHSA-N 441.508 5.693 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2cccs2)c(C)c1 170160604 VUTFLGNLGVIFSR-JOCHJYFZSA-N 433.529 5.465 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cccs1)c1ccc(Br)cc1 170166576 QIWMRXGGEGFMFI-KRWDZBQOSA-N 432.339 5.032 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccccn1)c1ccc2ccccc2c1 170169564 DTFPRPOEHCAEBE-QHCPKHFHSA-N 442.421 5.296 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccncc1 170204034 OOROIQFUAAJUEL-OAQYLSRUSA-N 448.906 5.143 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccccc2)cc1C 170234445 SSNONOZQALNMCH-XMMPIXPASA-N 445.490 5.230 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccc(F)cc2)cc1C 170239326 CPBKNJRONYBXBA-HSZRJFAPSA-N 447.462 5.021 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@H]2c2ccco2)c1 170289148 DLJCCKDPKFYUQB-HSZRJFAPSA-N 447.487 5.172 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(C)o2)cc1C(C)C 170302715 QHLTVJBTGFVJGY-XMMPIXPASA-N 445.515 5.811 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1sccc1C 170312645 KSHNZZDTGCNKJF-LJQANCHMSA-N 439.558 5.214 30 10 IKEE CC(C)Oc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 170348765 BNDBWNXNZINDAX-JOCHJYFZSA-N 444.512 5.190 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccccc2)cc1OCC 170371707 AJPRPUXILNKQOV-JOCHJYFZSA-N 449.528 5.328 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 170468957 GNOFSVJLCDUIJI-XMMPIXPASA-N 435.564 5.898 30 10 IKEE CCCCCCCCSc1nc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2s1 196079350 RBYDFXAPMDTYEB-SNHGZMDHSA-N 440.634 6.060 30 10 IKEE COc1ccc(-c2nc3cc(C)ccc3o2)cc1N=Cc1cc(Cl)cc([N+](=O)[O-])c1O 252637111 XPAPGBPONYQLKQ-UHFFFAOYSA-N 437.839 5.830 30 10 IKEE Cc1ccc(N=C2S/C(=C3/Sc4ccccc4N3C)C(=O)N2C2CCCCC2)cc1C 254521281 HNEYUFJSHOMZMI-CJKMRZRNSA-N 449.645 6.610 30 10 IKEE CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)C1=NNc1ccc2ccccc2c1 254850816 FYVHQQBNYGKXPF-UHFFFAOYSA-N 425.517 5.462 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2sccc2C)c(OC)c1 526490246 URTHSXNWCDBBDM-NRFANRHFSA-N 432.501 5.003 30 10 IKEE COc1cc([C@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc(Cl)c1O 526490459 GEXLRTUMVHEILT-QFIPXVFZSA-N 446.890 5.292 30 10 IKEE N#Cc1ccccc1NC1=C(Sc2ccc(Cl)cc2)C(=O)N(c2ccccc2F)C1=O 526664427 LANBMZUJVZLKCL-UHFFFAOYSA-N 449.894 5.340 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1c(Cl)cccc1Cl 526821935 BFICSPCTQJPLJD-MXAYSNPKSA-N 444.391 5.974 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1cccc(OC)c1OCC 526826298 YQTADWZFGJTNKI-MYYYXRDXSA-N 442.560 5.342 30 10 IKEE CCCCc1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2cc(C)ccc2OC)cc1 586244423 BVOXUHLPHOKRBR-UHFFFAOYSA-N 448.588 5.613 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1cccc2c1OCC2 693157695 ZOPFZTFVKYOGMZ-GOSISDBHSA-N 429.314 5.390 30 10 IKEE COc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)c(F)c1 698404022 JTTWOYMJJPWECC-GOSISDBHSA-N 435.293 5.603 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCc3c(Br)cccc32)c1 698417560 JEXOUKUXIWYMSA-QFIPXVFZSA-N 427.342 5.864 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2ccc(C)c(Br)c2)cc1 698961320 ZCXVTKWZWUZENA-LJQANCHMSA-N 431.330 5.773 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2ccc(C)c(Br)c2)c1 710816248 JMXOULUVKLYOMC-LJQANCHMSA-N 431.330 5.773 30 10 IKEE O=C(/C=C/c1csc(COc2ccc(Cl)cc2)n1)c1ccc(C(F)(F)F)nc1O 731563525 RQARYJGWTDKJMF-XVNBXDOJSA-N 440.830 5.391 30 10 IKEE C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C\[C@@H](C)C(C)(C)O)C[C@H](O)C[C@H]1O 1083807084 ZGLHBRQAEXKACO-NELWDSAPSA-N 428.657 5.727 30 10 IKEE O=C1/C(=C/c2ccc(O)cc2)S/C(=N\N=C/C=C/c2ccccc2)N1Cc1ccco1 1554646379 GSIBOBZPACPVGE-SMFCYODUSA-N 429.501 5.157 30 10 IKEE C=CCN1C(=O)/C(=C\c2cccc(OCc3ccc(C)cc3)c2)SC1=Nc1ccccn1 1772731239 KNODCYDOVUBETL-ULHXHRCFSA-N 441.556 5.759 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)SC1=Nc1ccccn1 1772731358 LEMCLSHLNJYVLM-JCZIGYIGSA-N 441.556 5.759 30 10 IKEE O=C1/C(=C/c2ccc(Br)cc2)SC(=Nc2ccccn2)N1c1ccccc1 1772731554 NSJOBJDSVPAHJP-ZUGBYVCQSA-N 436.334 5.653 30 10 IKEE Cc1cccc(NC(=S)N/N=C\c2cn(-c3cccc(C)c3)nc2-c2cccs2)c1 1857809148 NBVWFFIDGFUKIV-OYKKKHCWSA-N 431.590 5.538 30 10 IKEE N#Cc1cccc(C(=O)Oc2cccc3c(NC(=O)Cc4ccc(Cl)cc4)cccc23)c1 1858919452 LGOSXPWQCXLCID-UHFFFAOYSA-N 440.886 5.765 30 10 IKEE N#Cc1cccc(NC(=O)c2cc(CCc3ccccc3)n(Cc3ccc(Cl)cc3)n2)c1 1862325690 AURKOKNAQHXNEK-UHFFFAOYSA-N 440.934 5.494 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccc(C)c2)cc1 1862389207 AKSKPBWUOAGFCI-XMMPIXPASA-N 445.584 6.178 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(C)cc2)cc1 1862390053 USWBNZWWUXUGFA-SANMLTNESA-N 439.555 6.116 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2ccc(OCCC)cc2)cc1 1862397397 LHGJTEDDDTYHKH-DFBJGRDBSA-N 449.591 6.195 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc(C)c1 1862429523 PGLCMHJAEKMRDV-CVDCTZTESA-N 439.983 6.586 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862445660 AWHRTANSWQMUGB-DEOSSOPVSA-N 445.946 6.242 30 10 IKEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc(F)c2)cc1 1862473328 AHCAQWGLZLEREA-MZNJEOGPSA-N 445.490 5.482 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc(O)c2)cc1 1862474451 NRKOGAPNJBCFLY-BVZFJXPGSA-N 441.527 5.603 30 10 IKEE CCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc(C)c1 1862474988 ABQMZBHUAZNJPJ-AREMUKBSSA-N 447.619 7.022 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2cccc3ccccc23)cc1 1862480970 SZDVRMRLNZLJQZ-CCLHPLFOSA-N 447.534 6.488 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccccc2)cc1 1862507791 UKKBWKCTBNWRAX-XMMPIXPASA-N 429.491 5.264 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2cccc3ccccc23)cc1 1862531459 OAQGOCDRVRKBNT-SANMLTNESA-N 448.522 5.576 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2cccc3ccccc23)c1 1862561381 OUTNPJRQNFNLJO-VWLOTQADSA-N 434.495 5.201 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccccc2)cc1OC 1862575655 BNMDFEKMRZWMNE-XDHUDOTRSA-N 443.499 5.043 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2Cc2ccccc2)c1 1862612725 ABVZQENSWDTPEX-VWLOTQADSA-N 439.555 6.071 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCCCN(C)C)c1 1862649515 ZVQHDPCOSKBVTG-VWLOTQADSA-N 442.559 5.068 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1c(F)cccc1Cl 1862653639 SZQFDUKPHYPVTD-RCDICMHDSA-N 437.898 6.009 30 10 IKEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 1862668627 DBESSGGWCYIQAK-HXUWFJFHSA-N 447.453 5.054 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 1862688400 WAJIXLKJGXDKPA-QMHKHESXSA-N 431.463 5.174 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2ccccc2)cc1 1862699590 WPUVCBMQZWNONC-AVRWGWEMSA-N 441.527 5.597 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)cc1 1862748789 JZHZJSOXQRNTNL-JFJYTDJESA-N 448.519 5.314 30 10 IKEE C=CCNC1=C(c2ccc(OCc3ccccc3)cc2)C(=O)N([C@H](CC)CCCCC)C1=O 1863706523 ZKANPWGQOPVMKF-HSZRJFAPSA-N 446.591 5.480 30 10 IKEE CCCCCCCCN1C(=O)C(NCCC)=C(c2ccc(OCc3ccccc3)cc2)C1=O 1863707452 OXLCKYZSAVWSJQ-UHFFFAOYSA-N 448.607 5.706 30 10 IKEE N#Cc1cc(Br)c(NC(=O)Cc2cccc3ccccc23)c(Br)c1 1865976825 ASHJSEUIGVIRTK-UHFFFAOYSA-N 444.126 5.418 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N1CCc2cccc(Cl)c2C1 1866342343 JBNOPJYDNHHGJY-UHFFFAOYSA-N 434.108 8.486 30 10 IKEE CCCC[C@@H](NC(=O)C[C@@H](c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1cccc(C#N)c1 1866728580 ZUXIWLIDODMVEV-JWQCQUIFSA-N 431.580 5.373 30 10 IKEE N#Cc1ccccc1NC(=O)[C@H](NC(=O)[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccccc1 1867002938 YPGOEDJCFSSULN-DNQXCXABSA-N 443.934 5.201 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)c2ccccc2Cl)n(-c2ccccc2Cl)n1 1870003774 JORBOPXKOHDZNU-UHFFFAOYSA-N 428.323 5.005 30 10 IKEE CCCCCCCCn1cc(OCCc2ccccc2)c(=O)cc1CSc1ccccc1 1870192469 MSOILIDCZQMDRQ-UHFFFAOYSA-N 449.660 7.123 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(Cl)cc1)C3=O)CN(CCc1ccccc1)CO2 1871349123 ZJJCVFJSQFBKBH-QRVIBDJDSA-N 431.919 5.659 30 10 IKEE CCc1ccc([C@@H](C)N2COc3c(cc4c(c3C)O/C(=C\c3ccc(C)cc3)C4=O)C2)cc1 1871359972 MVKXTWREIKZHIN-QVISHHADSA-N 439.555 6.395 30 10 IKEE O=C1/C(=C/c2cccs2)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc21 1871371996 UGWDSSPYEFHOTB-ULJHMMPZSA-N 438.504 6.102 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OC(=O)c4c(F)cccc4Cl)cc(C)c3C2=O)c1 1871375608 UVBLMXXPXIYPIT-JAIQZWGSSA-N 438.838 5.632 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)c4cccc(OC(C)C)c4)ccc3C2=O)cc1 1871387822 BXMRDRKIKCNYEW-QFEZKATASA-N 428.484 5.872 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2cccc(F)c2)C3=O)c1 1871411874 LBADYRMSUZXOAU-YNJLWJOVSA-N 445.490 5.773 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccccc3C(C)C)ccc2C1=O 1871456297 XMJZVXOAUQNDLT-QFEZKATASA-N 427.500 5.752 30 10 IKEE C=CCN=c1nc(N(CCCC)CCCCCC)[nH]c(=Nc2ccc(C)c(Cl)c2)[nH]1 1871488079 LKYNRBWQDFJVAB-UHFFFAOYSA-N 431.028 5.206 30 10 IKEE CCCCCCCCN=c1nc(N(C)C)[nH]c(=Nc2cc(C(C)C)cc(C(C)C)c2)[nH]1 1871673516 BPHDDTZATGIYFF-UHFFFAOYSA-N 426.653 5.544 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(C)c(Cl)c1)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1871790680 ZWIOJHJVBSJLEV-JOCHJYFZSA-N 449.016 5.105 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(C)c(C)c1)[C@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1871911132 NXOZAQQKLPQXFJ-OPAMFIHVSA-N 449.016 5.187 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)c1ccccc1)S(=O)(=O)CCC 1872016824 WGXIVHVILZRSIQ-HSZRJFAPSA-N 442.625 5.282 30 10 IKEE N#C[C@@H](C(=O)CCCOc1ccc(Cl)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1872759958 DLSTYLDQCSZHNL-SFHVURJKSA-N 441.896 5.407 30 10 IKEE C[C@@H](Oc1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccc3ccccc3c2)cs1 1872759982 DWNHLFWZKDLVDO-QVKFZJNVSA-N 432.932 6.260 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@H](C#N)C(=O)c2ccc(F)c(F)c2F)n1 1872786052 CNYLTEIIHGXTSS-GFCCVEGCSA-N 436.842 5.688 30 10 IKEE Cc1sc(C2=C(N)N(c3cc(C(C)C)cc(C(C)C)c3)CC2=O)nc1-c1ccc(F)cc1 1872795880 CCNRIYKNUXZKEL-UHFFFAOYSA-N 449.595 6.221 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2Cl)C(=O)N([C@@H](CC)CCCCC)C1=O 1873032385 QQIMDSSQTOKLRB-FQEVSTJZSA-N 447.063 6.729 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(Cl)cc2)=C(c2cccc(OC)c2)C1=O 1873218651 XXIHIHRLJDDTIX-UHFFFAOYSA-N 440.971 5.901 30 10 IKEE CCCCCCCCCCNC(=O)c1sc(NS(=O)(=O)c2ccccc2)nc1C 1873935068 GQDLNXPCQRZPIS-UHFFFAOYSA-N 437.631 5.123 30 10 IKEE CSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1/N=C/c1ccccc1F 1874195491 QZFYCWUXKBXRTA-PCLIKHOPSA-N 426.561 5.330 30 10 IKEE CSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1cccc(Br)c1 1874281381 GICITSAZNYQWDS-CIAFOILYSA-N 435.778 5.083 30 10 IKEE COc1ccc(Cc2nnc(SCc3cccc(F)c3)n2/N=C/c2cccc(C)c2)cc1 1874350669 YDYJOCSAFLQJGO-JVWAILMASA-N 446.551 5.500 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2ccccc2C)cc1 1874387431 MXFDYCWZURCBMP-WPWMEQJKSA-N 426.589 5.969 30 10 IKEE Fc1cccc(CSc2nnc(Cc3cccs3)n2/N=C/c2cccc(Cl)c2)c1 1874412001 WJLXVHFQDWPVJR-ZMOGYAJESA-N 442.972 5.897 30 10 IKEE CCOc1cc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2)ccc1O 1874416703 DGUNNPGWNISAEE-YZSQISJMSA-N 444.560 5.148 30 10 IKEE Cc1ccccc1CSc1nnc([C@@H]2CCCO2)n1/N=C/c1ccc(Cl)cc1Cl 1874444157 SKNWAVXTHOXUJN-OGBFJMLUSA-N 447.391 5.919 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2ccccc2Cl)cc1 1874454607 PGHAXUNHGIUNFF-YDZHTSKRSA-N 441.944 5.672 30 10 IKEE Clc1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2ccccn2)cc1Cl 1874457120 BHEJSGQMIVRGQF-WYMPLXKRSA-N 432.380 5.812 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CCCC2)cc1 1874457124 BMIMVUIIFZEIGT-BRJLIKDPSA-N 449.382 6.556 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(SCc2cccc(F)c2)nnc1C(F)(F)F 1874460845 JDHCLVKPRBYZPN-OPEKNORGSA-N 438.450 5.398 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C(F)(F)F)cc1O 1874462220 MYCLHCKYECVMIU-OPEKNORGSA-N 444.438 5.036 30 10 IKEE Brc1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccco2)cc1 1874466648 TWCVIBUAGMEFGO-LPYMAVHISA-N 439.338 5.475 30 10 IKEE COCCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1c(Cl)cccc1Cl 1874472806 YFIQRYZFNKLJFZ-WYMPLXKRSA-N 449.407 5.565 30 10 IKEE CCCCOc1ccc(/C=N/n2c(C)nnc2SCc2ccc(F)cc2)cc1OC 1874530033 NJHFZCYVZREMIZ-ZVHZXABRSA-N 428.533 5.088 30 10 IKEE Cc1cccc(C)c1OCc1nnc(S)n1/N=C/c1ccccc1OCc1ccccc1 1874565014 BSNLYFGSTDCVLR-CVKSISIWSA-N 444.560 5.224 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(S)nnc2CCc2ccccc2Cl)cc1 1874566005 GCJQQTIMSNKBRV-LFVJCYFKSA-N 428.989 5.457 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1cccc(OC)c1 1874572317 HGGHIVQWAKHDEZ-PKNBQFBNSA-N 429.944 5.272 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2c(F)cccc2Cl)cc1C 1874574534 RHZCLXHEMVGKHY-ZRDIBKRKSA-N 440.898 6.280 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(C)cc2)c1OCc1c(F)cccc1Cl 1874579591 WNMHMGPLOGJKON-ZHACJKMWSA-N 445.317 6.925 30 10 IKEE Cc1ccc(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc(C(C)C)cc2)cc1C 1874583484 PMSWSJVXEDAYHB-JQIJEIRASA-N 427.544 6.340 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OCC(=O)Nc1ccc(C)c(C)c1 1874594654 VPXOYUYOJXKOEY-JLHYYAGUSA-N 445.515 5.234 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)c(OC)c1 1874598925 MLEMYROUGGKUAD-IZZDOVSWSA-N 443.326 6.486 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccccc3F)c2)cc1C 1874601069 RNJNIGAVQBBMCZ-VAWYXSNFSA-N 433.479 5.365 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(C)c3)c([N+](=O)[O-])c2)cc1 1874607133 DJJVACUEDDRQDZ-RVDMUPIBSA-N 429.516 6.721 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)cc1 1874615159 KIMNEQCWMWFOSO-LNKIKWGQSA-N 449.478 5.147 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1cccc(F)c1 1874615792 QRDBPGAIIMBXAT-UXBLZVDNSA-N 445.317 7.006 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)c1 1874619320 UVTXRPJQTYHYSG-GXDHUFHOSA-N 445.515 5.234 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OCc1cc(C)ccc1C 1874623012 HTPHRITXWRNZGC-JQIJEIRASA-N 436.551 7.330 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2F)c(Br)c1)c1ccc(F)c(F)c1 1874626227 RVKRDDDAJBMVNH-WEVVVXLNSA-N 447.250 6.342 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)ccc1OCc1ccccc1C 1874639004 CPTRXHBRALEZQV-FMIVXFBMSA-N 436.935 6.531 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccc(C)c(C)c2)c1 1874715430 STFFWZSGKORQMX-PKNBQFBNSA-N 434.919 6.389 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)Cc2ccc(F)cc2F)c1 1874718627 STRCMVYHZQZNMU-WEVVVXLNSA-N 442.845 5.671 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)Oc3ccc(Cl)cc3)cc2)cc1 1875103474 AMZGDFONZNKRQX-ZUPDTJCQSA-N 434.919 6.171 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)Cc2ccc(F)c(C)c2)c(Cl)c1 1875118823 QOLGYHJHPQAQPZ-DHZHZOJOSA-N 438.882 5.840 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc([N+](=O)[O-])c1OC(=O)Cc1ccccc1F 1875127287 XMMDFGFOJBGFRO-OUKQBFOZSA-N 449.434 5.177 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OC(=O)CCOc1ccccc1 1875127745 VUNKCKAIWFLTTC-OUKQBFOZSA-N 436.891 5.619 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2)cc1C 1875156038 HXWUCBXKFDXSRV-LZYBPNLTSA-N 428.528 6.307 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2ccccc2F)cc1 1875182312 WPFVOKKMDBRVDI-FMIVXFBMSA-N 438.882 5.840 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1)NCCC 1922069732 SUPXSVSHIAYXJQ-SMIHKQSGSA-N 430.633 5.459 30 10 IKEE C[C@@H]1C[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)OC(C)(C)C 1929950113 PSJGLRULVXUBJB-RRQZXNHTSA-N 443.588 5.351 30 10 IKEE CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@](C)(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1936065311 AYFVCMFAFCWMGP-VGSWGCGISA-N 437.606 5.317 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1944737469 YMOWQYGHPDKJCR-RBUKOAKNSA-N 449.979 5.763 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1949112962 SPWSGWDHZHVNFJ-IEGUWTFLSA-N 447.963 5.373 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CN(Cc2ccccc2)C2(CCCCC2)C1 1950346403 DRIZDJNYTVIKRS-LVXARBLLSA-N 425.617 5.893 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C1(C)C 2005327927 GMROTMNADIHLOT-XDHUDOTRSA-N 429.561 5.261 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CC[C@H](C)C[C@H]2OCc2ccccc2)c1 2043774612 MUHZBJSAWRCXRV-WBWMCNGVSA-N 434.580 6.404 30 10 IKEE CC(C)Oc1ccc(C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)c2nc3ccccc3o2)cc1 2053504870 LOUFPBQVJNQDLB-UHFFFAOYSA-N 428.444 5.947 30 10 IKEE C=C([C@H](N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(F)(F)F 2071353673 CBOYJQGQJFEWAC-BJKOFHAPSA-N 443.465 5.324 30 10 IKEE C=CC[C@H](C)[C@H](NC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071357654 RCYVRQRLGDFDDD-YNOBPPCASA-N 431.576 5.678 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2)C2(CCC2)C1 2075894900 IZCOGNVTRPZDER-UXHICEINSA-N 441.572 5.357 30 10 IKEE CC[C@H](c1ccc(C2CCC2)cc1)n1nc(C2(C)CC2)c(C#N)c1I 2079971545 IJSBSMJVJPDJRH-GOSISDBHSA-N 445.348 5.678 30 10 IKEE Fc1c(-c2c(C(F)(F)F)nn(C3CCC3)c2Br)cccc1C(F)(F)F 2080913231 LCPQRUHZGSETPG-UHFFFAOYSA-N 431.149 6.214 30 10 IKEE Fc1nc(-c2cc(Cl)n3nc(C(F)(F)F)c(C4CCC4)c3n2)ccc1C(F)(F)F 2081234669 SJXKAZJIBNDMRR-UHFFFAOYSA-N 438.734 5.889 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)[C@@H](C)CN(Cc3ccccc3)C[C@H]2C)cc1 2099266376 PFEJMMTXQMWJJA-YFWUERRMSA-N 449.595 5.487 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H](Nc2cccc(Br)c2C#N)Cc2ccccc21 2162387396 MQOKDLGCFUCTDE-HNNXBMFYSA-N 428.330 5.099 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Cl)cc(Cl)c1Cl 2235574437 FWWZVNGRRIPYHW-AEFFLSMTSA-N 433.807 5.994 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1csc(C2CC2)c1 2267882752 WTQXKMATHOABGC-KRWDZBQOSA-N 433.371 6.394 30 10 IKEE C=CCCC1([C@H](NCC)c2cc(C)cc(Br)c2)CN(C(=O)OC(C)(C)C)C1 2281043647 WVITXWZMVXGFFK-LJQANCHMSA-N 437.422 5.611 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(F)cc(Br)c1F 2288344019 FGRKFSOFJIJTIZ-SJLPKXTDSA-N 445.348 5.075 30 10 IKEE C=CC[C@H](C)[C@@](C)(OCCC(=O)O)c1cc(Br)c(Br)s1 2292066681 MVAATXNNJIIESI-LKFCYVNXSA-N 426.170 5.192 30 10 IKEE CCCOc1ccc(Br)cc1C=C1SC(=Nc2ccc(C)cc2C)NC1=O 2294705436 KXXDJEYBQBFXQM-UHFFFAOYSA-N 445.382 5.746 30 10 IKEE N#Cc1c(F)cc(Br)cc1Nc1cc(Cl)c(Br)cc1Cl 2295466494 GJSPFIUSXWYBFJ-UHFFFAOYSA-N 438.909 6.273 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)CCN(C(=O)OC(C)(C)C)C(C)C 2296311162 SVNXPKSHIMDALC-FQEVSTJZSA-N 437.422 5.204 30 10 IKEE CC(C)(C)N=C1[C@@H](N2CCCCC2)C(C)(C)C(=S)N1c1cccc(C(F)(F)F)c1 2297382637 XQBATRZSDFTKDC-QGZVFWFLSA-N 425.564 5.931 30 10 IKEE Cc1nc2sc(C(=O)Nc3ccc(C(=O)C=Cc4cccs4)cc3)c(N)c2c(C)c1C 2297556869 JDWVWYDZXQOQTJ-UHFFFAOYSA-N 447.585 6.014 30 10 IKEE Cc1ccc(COc2ccccc2C=C2SC(=Nc3cccnc3Cl)N(C)C2=O)cc1 2314540657 VLTHJFSQUWTXJP-UHFFFAOYSA-N 449.963 5.856 30 10 IKEE CN1C(=O)C(=Cc2ccc(Cl)cc2Cl)SC1=Nc1nc(-c2ccccc2)cs1 2314543959 PTECVQMRNPSKKU-UHFFFAOYSA-N 446.384 6.351 30 10 IKEE CCCCC[C@@H](CC)N1COc2cc(C)c3c(c2C1)OC(=Cc1ccccc1OC)C3=O 2322072940 XGTDERFDROKBIS-HXUWFJFHSA-N 435.564 6.131 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1cccs1)C3=O)CN(C13CC4CC(CC(C4)C1)C3)CO2 2322437077 CONGQHWGRJSWST-UHFFFAOYSA-N 433.573 5.793 30 10 IKEE Cc1c(OC(=O)c2cccc(Cl)c2)ccc2c1OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2322915976 IXQJXHLVGWASEM-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE COc1cc(C=NNc2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)cc1Cl 2322922323 HSMYTSKYCFTXSV-UHFFFAOYSA-N 429.347 6.644 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1cccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)c1 2323046653 AQGHCXHLQWSBAQ-UHFFFAOYSA-N 430.460 5.125 30 10 IKEE Cc1ccc(CCC(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2323085981 ADHYDHUXHPCWER-UHFFFAOYSA-N 432.903 6.111 30 10 IKEE Cc1c(OC(=O)Cc2cccc3ccccc23)ccc2c1OC(=Cc1cccc(F)c1)C2=O 2323400399 GJMKRJDSFZEJIY-UHFFFAOYSA-N 438.454 6.052 30 10 IKEE O=C(C=Cc1ccc(Cl)cc1Cl)Oc1ccc2c(c1)OC(=Cc1ccccn1)C2=O 2323462437 KYZFZWKPYQZUBO-UHFFFAOYSA-N 438.266 5.623 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)c(Cl)c2)c1 2323486256 HSMLITKJRUBADY-SFHVURJKSA-N 449.934 5.501 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2)C3=O)c1 2323895654 HRWSIFSWDPSERU-UHFFFAOYSA-N 428.440 5.146 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 2324158656 MYALELVVZGIIHM-UHFFFAOYSA-N 425.355 7.592 30 10 IKEE C=C(C)COc1ccc(C=CC(=O)c2ccc(OCCCCCCC)cc2)cc1Cl 2324209567 ALRIBRZYHOFKES-UHFFFAOYSA-N 426.984 7.540 30 10 IKEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2[N+](=O)[O-])o1 2324451275 UUCKAIYMPDIIFY-UHFFFAOYSA-N 435.432 5.066 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2sccc2C)C3=O)cc1 2324492525 DYBXDXUJLZXYJI-QGZVFWFLSA-N 447.556 5.950 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCCCOc4cccc(C)c4)c3C)C2=O)cc1 2324561585 UGKPEYKRLNZLGM-UHFFFAOYSA-N 430.500 5.776 30 10 IKEE C=CCc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OCCc1ccccc1 2324563776 BJULCUSIDXQRFP-UHFFFAOYSA-N 440.583 6.867 30 10 IKEE Cc1cccc(OCCCCOc2ccc3c(c2C)OC(=Cc2cccc(F)c2)C3=O)c1 2324572450 JFEQDGGGUWQOCU-UHFFFAOYSA-N 432.491 6.297 30 10 IKEE CC[C@H](Oc1ccc2c(c1)OC(=Cc1ccco1)C2=O)C(=O)Nc1cc(Cl)ccc1C 2324837627 FTNPNKSCXKLFRJ-FQEVSTJZSA-N 437.879 5.654 30 10 IKEE Cc1c(OCCC(=O)OCCC(C)C)ccc2c1OC(=Cc1ccc(Cl)cc1)C2=O 2325103970 CGBFDDNJXOCDBB-UHFFFAOYSA-N 428.912 5.623 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(OCC(=O)Nc3ccccc3Cl)c2C)C1=O 2325718238 GIDTVXQQMIGGJJ-UHFFFAOYSA-N 439.920 5.652 30 10 IKEE Cc1cc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc2c1C(=O)C(=Cc1ccco1)O2 2325724635 CORCWILMFHDFRP-UHFFFAOYSA-N 444.270 5.529 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(C)c(C)c3)c2)c1 2325744237 MZURSLQKCVEKDQ-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE CCCCCCCCC(=O)Oc1cccc(C=CC(=O)c2cc(Cl)ccc2Cl)c1 2325775118 PXRMVRAJIIDYBT-UHFFFAOYSA-N 433.375 7.546 30 10 IKEE CCCSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1sccc1C 2325913863 PSTKAXGEJSIMJD-UHFFFAOYSA-N 441.409 5.918 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2OCC)n1N=Cc1c[nH]c2ccccc12 2326832391 UHLJISNREQGAMI-UHFFFAOYSA-N 447.564 5.288 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2C)n1N=Cc1ccc(Cl)cc1 2327114975 LSXACLIFSDGCSE-UHFFFAOYSA-N 426.973 5.412 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3Cl)n2N=Cc2ccccn2)cc1 2327919926 QALLUZUWVYOLHC-UHFFFAOYSA-N 447.995 5.595 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2ccc(F)cc2)cc1C 2329422018 BWXJJCFIXCDUJZ-UHFFFAOYSA-N 430.552 5.799 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccncc1 2329478079 OHQJNYOGEGXRBA-UHFFFAOYSA-N 431.540 5.080 30 10 IKEE COc1ccccc1C=Nn1c(SCc2cccc(C)c2)nnc1-c1ccccc1Cl 2329551232 TXXAXTQSDDATAZ-UHFFFAOYSA-N 448.979 6.090 30 10 IKEE C=C(C)CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1ccc(Br)cc1 2330102028 YDBIBBQRXYPMMV-INIZCTEOSA-N 441.398 5.743 30 10 IKEE CCC(=NOCc1cc(=O)c(OCc2ccccc2)cn1C)c1ccc(OC(C)C)cc1 2330270159 XKYLNCUTXLXLGZ-UHFFFAOYSA-N 434.536 5.082 30 10 IKEE COc1cc(C=Nn2c(SCc3cccc(C)c3)nnc2-c2cccs2)ccc1O 2330549384 VSQCMHOJJONJHM-UHFFFAOYSA-N 436.562 5.204 30 10 IKEE COc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2cc(C)ccc2C)cc1O 2330846580 OIZMSOJKUSCNMN-UHFFFAOYSA-N 438.597 5.372 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)Cc1ccccc1F 2331182832 USNADQLRRCSDDR-UHFFFAOYSA-N 430.475 5.607 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cccs3)c([N+](=O)[O-])c2)cc1 2331200734 SBQRGSABYRJZCI-UHFFFAOYSA-N 437.473 5.099 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccncc3)c(OCC)c2)cc1 2331309093 VSVCPTFFFLXKQG-UHFFFAOYSA-N 431.488 5.384 30 10 IKEE CC(C)(C)c1nnc(SCc2ccccc2Cl)n1N=Cc1cccc2ccccc12 2331398133 LEVHISGCAGJRRJ-UHFFFAOYSA-N 434.996 6.557 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2cccc(Cl)c2)nnc1C(C)(C)C 2331411059 JHABOOAGPNCDCI-UHFFFAOYSA-N 441.000 5.968 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1cccc(O)c1 2331411733 GSIWSXVOMBNESO-UHFFFAOYSA-N 435.380 5.763 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1Cl)c1ccc(F)c(F)c1 2331473169 RTUCEVMQBKZKAP-UHFFFAOYSA-N 448.852 6.887 30 10 IKEE Cc1cccc(C=Nn2c(CC(C)C)nnc2SCC(=O)Nc2ccc(C)cc2C)c1 2331473654 RBJHSXATBKEJCI-UHFFFAOYSA-N 435.597 5.015 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C23CC4CC(CC(C4)C2)C3)c(Cl)c1)c1ccc(F)cc1 2331522756 BQCADPOHJSRBMX-UHFFFAOYSA-N 438.926 6.497 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)CCCSC)cc2)cc1C(C)C 2331573823 XEEQLYZTYRFNPL-UHFFFAOYSA-N 426.578 6.072 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)cc(Cl)c1OC(C)=O 2331632537 IBIULWALDDWIFW-UHFFFAOYSA-N 429.683 5.485 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)c1cncc(C)c1 2331767764 KYLVIVORIWCELB-UHFFFAOYSA-N 445.515 5.448 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3F)c(Cl)c2)c(C)c1 2331768868 SMEASDMFPPLUMY-UHFFFAOYSA-N 440.873 6.659 30 10 IKEE CCCN(C[C@H](C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2339587047 ONMKSLKRIRHCRG-SFHVURJKSA-N 446.397 5.141 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc(Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)c1 2339588669 MASZOXSQSDGORG-BUHFOSPRSA-N 437.349 5.817 30 10 IKEE N#C[C@@H](Nc1ccc(Br)cc1)c1ccc(Cl)cc1I 2346190365 GHFIOYYYXQSGQQ-CQSZACIVSA-N 447.501 5.384 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(Cl)cc2)cc1 5927204 RDMSMIMWKKPPDG-QHCPKHFHSA-N 447.918 5.830 30 10 IKEE C=CCn1c(SCc2cccc(Br)c2)nnc1-c1cccc([N+](=O)[O-])c1 10481340 YDYGWMZDEIOEKA-UHFFFAOYSA-N 431.315 5.094 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2sc(-c3ccccc3)cc2C(=O)OCC)c1 20159057 NAPOZEGVMBWYEQ-UHFFFAOYSA-N 448.588 6.682 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cn(C[C@@H](O)CN(CC(C)C)CC(C)C)c3ccccc23)cc1 20439307 KENONSNWMMABQW-BOMYWPOKSA-N 446.635 5.821 30 10 IKEE Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC(C)C)cc2)C3)cc1 21224576 OGVBNLVPHJLMPJ-PZGXJGMVSA-N 438.571 6.762 30 10 IKEE C=CCOc1c(Cl)cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OCC 33349265 UDGAXPRWOLJBBQ-XDHOZWIPSA-N 447.915 5.679 30 10 IKEE Cc1cccc(-c2cc(/C=C\c3ccc4c(c3)OCCO4)c(C#N)c3nc4ccccc4n23)c1 33502115 DTAVOZYLINOMNV-LUAWRHEFSA-N 443.506 6.276 30 10 IKEE COc1cccc(/C=C2\S/C(=N/c3cccc(C(=O)O)c3)N(c3ccccc3)C2=O)c1 39866722 IGTYYSXOOOHZKE-YCBMQGOFSA-N 430.485 5.202 30 10 IKEE COc1ccc(CCn2c(O)c(/N=N/c3cccc(Cl)c3C)c(C)c(C#N)c2=O)cc1 39871104 FYYCIUGPRBCNRK-CYYJNZCTSA-N 436.899 5.363 30 10 IKEE C=C(C)C(=O)NCCCCCc1nc2ccccc2n1CCCOc1ccc(CC)cc1 40219822 NTTPCGJBEDQWNN-UHFFFAOYSA-N 433.596 5.473 30 10 IKEE COc1ccccc1-c1nnc(S[C@@H](C#N)Cc2ccc(C)cc2)n1-c1ccc(C)cc1 60706052 FWAOOWXMFQCBRH-JOCHJYFZSA-N 440.572 5.787 30 10 IKEE COc1ccc(-c2nc(SC)nc(Nc3ccccc3OC(C)C)c2C#N)cc1OC 62041313 SEAMYMSYEPVUCW-UHFFFAOYSA-N 436.537 5.285 30 10 IKEE C=C(C)COc1ccc(NC(=O)CNc2cccc(OCCCc3ccccc3)c2)cc1 66065247 WQVWRGQEFBPOHX-UHFFFAOYSA-N 430.548 5.704 30 10 IKEE CCCCCCCc1c(C)nn(C(=O)COc2ccc(Br)cc2Cl)c1C 100458549 VJHSJQVPBQJRCB-UHFFFAOYSA-N 441.797 6.148 30 10 IKEE COc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N\c1ccc(Oc2ccccc2)cc1 101764685 HUYXGJWAGCRFOS-LPVSAIRDSA-N 426.516 6.241 30 10 IKEE CCCCCCCCCn1c(CNC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21 102219495 LPAVJORFJQTGPY-UHFFFAOYSA-N 437.584 5.734 30 10 IKEE N#Cc1c(Cl)cccc1OCC(=O)c1cc(Br)sc1Br 129325416 VEJOTADNTUPHPA-UHFFFAOYSA-N 435.524 5.060 30 10 IKEE CCc1sc2nc(C(C)C)n(Cc3cccc(C#N)c3)c(=O)c2c1-c1cccc(OC)c1 169902346 CBNYZUKWWMCQCC-UHFFFAOYSA-N 443.572 5.739 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2ccc(OC)cc2)cc1 169923273 OTCUTZGXVPSTFD-RUZDIDTESA-N 441.527 5.657 30 10 IKEE CCN1C(=S)N[C@@H](c2ccc(OCc3c(F)cccc3Cl)cc2)C(C(C)=O)=C1C 169933168 ZUUOZITXXNQHTJ-NRFANRHFSA-N 432.948 5.172 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1cccc(C)c1 169969972 HSNXOBSBNQJKAV-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccc(C(C)(C)C)cc1 169975139 KYCTYLAQSLPDET-HSZRJFAPSA-N 446.547 5.080 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(OC)cc3)[C@H]2c2cccs2)cc1 169988583 WGHGKNQCQQNESO-QFIPXVFZSA-N 433.529 5.098 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2F)c1 170069189 OCSKWZMDJWYCOR-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2sccc2C)ccc1F 170105481 AZKRPXQSMWBLCC-LJQANCHMSA-N 443.446 5.565 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1cccc(C)c1 170147518 YPPSVABYINLMCS-XMMPIXPASA-N 435.564 5.798 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2C2CCCC2)c1 170148683 PJVQLWWTOTWNBI-RUZDIDTESA-N 447.575 5.859 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1cccs1 170155306 MIRFFSAKAVZYGQ-FQEVSTJZSA-N 437.492 5.296 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2cccs2)c1 170160252 CGYOLOVBDCLDCJ-QFIPXVFZSA-N 449.528 5.334 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@H]1c1cccc2ccccc12 170220921 ORJKSDZLLOVQRR-RUZDIDTESA-N 443.543 5.844 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccccc2)cc1 170223790 GYPUTRNDAOGWIG-DEOSSOPVSA-N 427.500 5.485 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(Cl)cc2)ccc1F 170235469 PNKVDOKGPTZYQC-HXUWFJFHSA-N 425.843 5.159 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccc2C)cc1Cl 170273089 NZWRFTITLAJAAA-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@@H]1c1ccc(C)o1 170309432 SDTKMOSQEXKFMK-IBGZPJMESA-N 436.533 5.398 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1cccc(Oc2ccccc2)c1 170456327 BEUKIYBVETXQPD-QHCPKHFHSA-N 443.499 5.700 30 10 IKEE CN(C)c1ccc(/C=N/c2ccccc2-c2ccccc2/N=C/c2ccc(N(C)C)cc2)cc1 195812600 NMFSICKDQOBBCY-RWRHWQIFSA-N 446.598 6.987 30 10 IKEE CCCCCCC[C@H](NCC)c1cc(I)ccc1Br 232930851 YSAPJSKNDDCFRN-INIZCTEOSA-N 438.191 6.065 30 10 IKEE O=[N+]([O-])c1ccc2c(C=Nc3ccc(O)c(-c4nc5ccccc5s4)c3)c(O)ccc2c1 252617474 KTNNCXFRXTVYMR-UHFFFAOYSA-N 441.468 6.187 30 10 IKEE CC(=O)c1ccc(-c2ccc(C=NNc3c(F)c(F)c(C(F)(F)F)c(F)c3F)o2)cc1 254513092 GUCWECKGHXPXSH-UHFFFAOYSA-N 444.306 6.170 30 10 IKEE CCOc1cccc(C=NNc2ncnc3sc4c(c23)C[C@H](C(C)(C)CC)CC4)c1O 254820904 JOJIOOVINFSSSJ-MRXNPFEDSA-N 438.597 5.783 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)c(Cl)c3)[C@H]2c2ccc(F)cc2)cc1 526491857 YCDRDSUYPQDLTH-OAQYLSRUSA-N 439.273 6.061 30 10 IKEE Cc1ccc(NC2=C(Sc3ccc(Cl)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 526642523 DHJJZSOOTUPZGJ-UHFFFAOYSA-N 445.931 5.509 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccccc2O)cc1 526805434 MHJBCYVYYKULQS-ONUIUJJFSA-N 428.561 5.252 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(CCCC#N)Cc2ccc(Cl)cc2)cc1 586181175 IMKXZEUHDABFNZ-UHFFFAOYSA-N 433.017 5.957 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCc2ccc(Br)cc21 698475725 ITAIXEODUKHXHG-QFIPXVFZSA-N 427.342 5.864 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 698829969 UBSRCAXARSMTDO-MBSDFSHPSA-N 449.979 5.763 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@](C#N)(N(Cc1ccccc1)C(=O)OC(C)(C)C)C2 709336557 AZNGSXMYHJTMBX-ZYLNGJIFSA-N 441.572 5.105 30 10 IKEE C/N=C1/S/C(=C/c2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)N1C 1083886551 KDAUBMHQGSRBQR-NHVGOCBKSA-N 444.387 5.837 30 10 IKEE C(=NNc1nc2ccccc2[nH]1)c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 1084341141 VSLUMFHSLRXRGY-UHFFFAOYSA-N 436.563 5.662 30 10 IKEE CCN(CC)c1ccc(C=Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 1084363939 XNRHEXXCDYORPV-UHFFFAOYSA-N 425.529 5.223 30 10 IKEE Cc1ccc(CSc2nc3ccc(N=Cc4c(Cl)cccc4Cl)cc3s2)cc1 1084463578 MVGXJAONUZOLEJ-UHFFFAOYSA-N 443.424 7.954 30 10 IKEE O=C1/C(=C\c2cccc(Br)c2)SC(=Nc2cccnc2)N1C1CCCCC1 1772732229 VYJFOKWVZZBYSG-YCWTWADVSA-N 442.382 5.781 30 10 IKEE CCOc1cc(/C=C2/SC(=Nc3nccs3)N(C3CCCCC3)C2=O)ccc1O 1772737127 WLMBNVKMZNHPSR-RVNILFKFSA-N 429.567 5.184 30 10 IKEE O=C1/C(=C/C=C\c2ccco2)SC(=Nc2cccc(Cl)c2)N1c1cccc(Cl)c1 1772742887 GTPLHNPPPHNSDI-QBILTYHTSA-N 441.339 6.951 30 10 IKEE O=C(ON1C(=O)c2ccccc2C1=O)c1ccc(-c2ccc(-c3ccccc3)cc2)s1 1772791379 SBAXECMPIJIZBD-UHFFFAOYSA-N 425.465 5.450 30 10 IKEE NC(=S)N/N=C\c1cn(-c2ccc(Oc3ccccc3)cc2)nc1-c1ccc(Cl)cc1 1857806986 OZBJHYVFNSGHMD-WGARJPEWSA-N 447.951 5.152 30 10 IKEE N#Cc1c(O)nc(SCC(=O)Nc2cccc3ccccc23)nc1-c1ccccc1Cl 1860826489 FJKUCZLBMRLOJF-UHFFFAOYSA-N 446.919 5.258 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)c1c(C)ccc2ccccc12 1860992444 VAHHCEIVUSLRSX-JOCHJYFZSA-N 428.642 5.476 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cccs1 1861324148 KVHWDHQJZZWGRD-NRFANRHFSA-N 430.614 5.052 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(Cl)cc2Cl)n(Cc2ccccc2)n1 1862331727 KAHMMTXKWAHELV-UHFFFAOYSA-N 426.347 5.719 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccccc2F)cc1C 1862402111 QPTJRKMQVLCHEJ-XDHUDOTRSA-N 445.490 5.482 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CC)cc1OC 1862440694 PNJSYOLLJNMOPY-NRFANRHFSA-N 443.927 5.126 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2cccc(O)c2)cc1 1862489388 AVBPAIXTNJLWRP-RUZDIDTESA-N 441.527 5.138 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccc2ccccc12 1862494251 JBPIEDRVENYZDJ-VWLOTQADSA-N 427.544 6.225 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2cccc(Cl)c2)cc1 1862507089 DSNPQTINJQCUHC-QHCPKHFHSA-N 449.909 5.874 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1c(Cl)cccc1Cl 1862507845 AJWALPMGFPPQHO-LJQANCHMSA-N 436.310 5.819 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2c(F)cccc2Cl)cc1 1862531424 NMHPGFIJWOYNDA-NRFANRHFSA-N 427.903 5.562 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2Cc2cccnc2)cc1 1862649788 GPOVXKOEAGPHSX-AREMUKBSSA-N 448.522 5.576 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cccc(Cl)c2)c1 1862674336 MCPHJELTQVIOGX-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccc(C)cc2)cc1 1862687419 KPTRUMMDVMAZPB-HOYKHHGWSA-N 427.500 5.343 30 10 IKEE CCOc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccccc3Cl)C2=O)cc1 1862837284 GFSJJGAEDLSTBZ-UHFFFAOYSA-N 443.890 5.007 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C)cc2C)=C(c2ccc(C)c(C)c2)C1=O 1863252286 QMWKJKNLNUAOFC-UHFFFAOYSA-N 432.608 6.473 30 10 IKEE CCCCCCCCNC1=C(c2ccc(F)c(C)c2)C(=O)N(CCCOCCCC)C1=O 1863793152 LQDPXUJZZUBNTN-UHFFFAOYSA-N 446.607 5.371 30 10 IKEE CCCCCCCCn1cc(OCC)c(=O)cc1CNc1cc(OC)c(OC)c(OC)c1 1870784211 FZDBINZBEJNFOS-UHFFFAOYSA-N 446.588 5.245 30 10 IKEE CCCCCCCCCCN=c1nc2c(cnn2C)c(Nc2ccc(Cl)c(Cl)c2)[nH]1 1871299253 VEEXMYBJPSFXFN-UHFFFAOYSA-N 449.430 6.388 30 10 IKEE CCCCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1c(Cl)cccc1Cl)C3=O 1871351841 CSDCYZJQFGIDNS-MTJSOVHGSA-N 446.374 6.650 30 10 IKEE CCc1ccc([C@@H](C)N2COc3cc(C)c4c(c3C2)O/C(=C\c2ccccc2F)C4=O)cc1 1871354603 VHUZAIOVGURQHQ-DBXOKZBGSA-N 443.518 6.226 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OC(=O)CCCOc4ccccc4)cc(C)c3C2=O)c1 1871371488 SJYQGUJBFYNHKO-JLPGSUDCSA-N 444.483 5.384 30 10 IKEE Cc1cc(OC(=O)c2ccc(OCC(C)C)cc2)cc2c1C(=O)/C(=C/c1ccccc1F)O2 1871383245 LNIPOGCWMKYMAX-CFRMEGHHSA-N 446.474 6.004 30 10 IKEE Cc1c(OC(=O)c2ccc(-n3cccc3)cc2)ccc2c1O/C(=C\c1cccc(F)c1)C2=O 1871384287 OFAMMLTVISZRAZ-JLPGSUDCSA-N 439.442 5.760 30 10 IKEE CCc1ccc(OCCCOc2cc(C)c3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 1871412982 OHPYXFMCIMBUGR-XYGWBWBKSA-N 432.491 6.161 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc5ccccc5c4)ccc3C2=O)o1 1871419739 PWEQRUUBMASFFB-OYKKKHCWSA-N 425.440 5.375 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C)c(C)c4)ccc3C2=O)cc1 1871459236 MWDXFFIVDYBVSW-QFEZKATASA-N 443.499 5.336 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(Cl)cc2)[nH]c(N2CCCCCC2)n1 1871523772 DLGFBPNJSNHLMJ-UHFFFAOYSA-N 431.028 5.843 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1)S(=O)(=O)c1cc(C)ccc1C 1871767895 JQDATPHJBSPPEY-VWLOTQADSA-N 448.588 5.169 30 10 IKEE CCCCCCCCCCNC(=O)c1nonc1OCCCCOc1cccc(C)c1 1872707031 ZIXKCNHBOYFXPC-UHFFFAOYSA-N 431.577 5.487 30 10 IKEE CCCCCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3cccc(Cl)c3)cs2)cc1 1872767008 RIOGBPVDRZJYNU-OAQYLSRUSA-N 438.980 6.913 30 10 IKEE N#C[C@@H](C(=O)CCCOc1ccc(Cl)cc1Cl)c1nc(-c2ccccc2)cs1 1872768190 LYQHDDRQFDVKOV-INIZCTEOSA-N 431.344 6.152 30 10 IKEE CC(C)c1csc([C@H](C#N)C(=O)CCCOc2ccc(Br)cc2Cl)n1 1872774207 KIMNDCQEPJVGEG-CYBMUJFWSA-N 441.778 5.718 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@H](C#N)C(=O)COc2ccc(Cl)c(C)c2)n1 1872781653 XEKVSOAFBVAOJD-GOSISDBHSA-N 440.952 5.653 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@@H](C#N)C(=O)c2c(OC)cccc2OC)n1 1872784378 SBTJXZHGUHIWIM-AWEZNQCLSA-N 442.924 5.288 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@H](C#N)C(=O)COc2cccc(C)c2C)n1 1872788441 IHQZPHKLUGUONC-QGZVFWFLSA-N 426.925 5.344 30 10 IKEE CCCCCCCCCCNC(=O)c1cccc(COc2cccc(C(=O)OCC)c2)c1 1872842150 VQVRFMNGASVBIG-UHFFFAOYSA-N 439.596 6.313 30 10 IKEE CCCCCCCCN1C(=O)C(NC2CCCCCC2)=C(c2ccccc2[N+](=O)[O-])C1=O 1873140165 TWLUZBFJXRSCIR-UHFFFAOYSA-N 441.572 5.348 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(C)cc1)n2CC 1873628985 DNHMXICTHGVYBX-UHFFFAOYSA-N 435.616 6.565 30 10 IKEE C=CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1sccc1C 1874203349 XHJYRQAQJWAUGK-ZVHZXABRSA-N 440.638 5.993 30 10 IKEE CCOc1cccc(/C=N/n2c(CCCOc3ccc(Cl)cc3)nnc2SCC)c1 1874213007 PNUCKSHBFYYEKZ-LFVJCYFKSA-N 444.988 5.336 30 10 IKEE C=C(C)CSc1nnc(COCc2ccccc2)n1/N=C/c1ccc(OCCC)cc1 1874353628 SRQNGHZUKPYIMA-MFKUBSTISA-N 436.581 5.334 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1cccnc1 1874378121 AIFGKPNXCKQZBM-VULFUBBASA-N 437.931 5.231 30 10 IKEE Clc1cccc(CSc2nnc(COc3ccccc3)n2/N=C/c2ccccn2)c1 1874387182 ZKJQWEWVHVMZDS-AFUMVMLFSA-N 435.940 5.080 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)cc3)n2/N=C/c2cccc(O)c2)cc1 1874387324 HCTGMAOJROIYAN-WGOQTCKBSA-N 428.561 5.366 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccco1 1874393386 LGDQRXPCGVCXES-BRABVMKYSA-N 433.493 5.106 30 10 IKEE C=CCSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1cccc(Br)c1 1874399924 XCXVESIOONOAHH-QQHUYRGFSA-N 427.371 5.353 30 10 IKEE CN(C)c1ccc(/C=N/n2c(SCc3ccccc3F)nnc2-c2cccs2)cc1 1874422292 FBVQCCNXYMBUNV-ZVHZXABRSA-N 437.569 5.386 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2ccccc2)nnc1-c1cccs1 1874422472 NWMKYYIRHYCYKO-LFVJCYFKSA-N 432.574 5.746 30 10 IKEE COC(=O)c1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2-c2ccccc2)cc1 1874426496 LETVOUFZNCMSBL-CVKSISIWSA-N 446.507 5.045 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2-c2ccccc2)cc1 1874430381 FPVXJCFQTSVGJW-MFKUBSTISA-N 434.952 5.782 30 10 IKEE FC(F)(F)c1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccccc1Cl 1874462669 ZPUZZHDAHVJJMK-NUGSKGIGSA-N 431.270 5.778 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccccc1OC 1874481238 VLYRZOGESXGGQN-ZMOGYAJESA-N 432.952 5.596 30 10 IKEE C=C(C)CSc1nnc(CCC)n1/N=C/c1ccc(OCCCCC)c(OCC)c1 1874507607 LXSMBZYPMPROLH-LFVJCYFKSA-N 430.618 5.749 30 10 IKEE Cc1ccsc1/C=N/n1c(SCc2ccc(Cl)c(Cl)c2)nnc1C(C)C 1874517567 ZMROHYKCIXSIDV-ZVBGSRNCSA-N 425.410 6.253 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccccc2Cl)c1OCc1ccccc1F 1874575100 VPRNJXVGVOKUEE-ZHACJKMWSA-N 431.290 6.616 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c1OCc1cccc2ccccc12 1874575282 FNGMGJJGMGZRDQ-SAPNQHFASA-N 439.467 6.232 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCc2nc(O)c3ccccc3n2)cc1Cl 1874590662 PVGWCBNRUYPGDT-ZRDIBKRKSA-N 446.890 5.473 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)c1OCc1ccc(C)cc1 1874591770 AYRVYPRDGYHPNC-BMRADRMJSA-N 438.523 6.641 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3ccccc3F)c2)cc1 1874595590 UAQXGXHHACAQGA-RIYZIHGNSA-N 449.478 5.147 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1)NCc1ccccc1 1874603032 HOWUSPKEJNPHTR-SFQUDFHCSA-N 425.528 5.157 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(C(=O)OC)o3)c([N+](=O)[O-])c2)cc1 1874605304 VWMRHGTUFQJUMU-IZZDOVSWSA-N 435.432 5.012 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(Cl)c1OCc1cccc(C)c1 1874623626 MVVQUXXRHPMXOH-BUHFOSPRSA-N 442.942 7.285 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)cc2)c(C)c1 1874629088 LQLJTTQVFATQQM-GXDHUFHOSA-N 441.571 6.451 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)ccc1OCc1cccc(C)c1 1874635303 KQUKXMBOAOJNQS-SDNWHVSQSA-N 428.572 7.085 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC(=O)COCc3ccccc3)c2)cc1 1874696162 LKXGBPWWOKUEOS-OBGWFSINSA-N 428.528 6.048 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OC(=O)c1ccc(F)c(F)c1F 1874698592 FBFMWHHHJIKIJQ-YRNVUSSQSA-N 442.389 5.236 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2)cc1OC(=O)CCCOc1cccc(C)c1 1874700246 INXAVPIEVLAZJI-FYWRMAATSA-N 430.500 5.664 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OC(=O)c1ccc(OC(C)=O)cc1 1874703532 UOVQAPLFEXWESG-NTUHNPAUSA-N 444.483 5.353 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1OC(=O)c1cc(C)cc(C)c1 1874712271 CZRFSPCMCCNBTL-JXMROGBWSA-N 444.527 6.053 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2cccs2)CSc2nnc([C@@H]3CCCO3)n21 1874938395 VHPJDBPRGSVHRX-IRXDYDNUSA-N 434.631 5.253 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC(=O)c1ccco1 1875094542 XSZKOFBNEMFJLL-ZHACJKMWSA-N 433.416 5.040 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4ccccc4c3)cc2Cl)cc1 1875096572 UNTVVBSMWKGWAL-OQLLNIDSSA-N 440.926 7.171 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3sccc3C)c(OC)c2)cc1 1875103696 LKDOCQHIMNZSOE-JXMROGBWSA-N 440.948 6.396 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)cc1)c1cccc(Cl)c1 1875123045 ABMZEQAPZNDBMK-SELKBFNUSA-N 437.322 6.599 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OCCC)cc2)cc1Cl 1875137434 MJCCFZVXFUIHBQ-OQLLNIDSSA-N 428.956 6.901 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)cc2)c1 1875138526 ZVYLUYKTKIEWRF-NTEUORMPSA-N 444.487 5.393 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(C)c(C)c3)c(Cl)c2)c1 1875139395 HAFPYZHHLPXWFC-DHZHZOJOSA-N 448.946 6.454 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Oc4ccccc4)cc3)cc2)cc1C 1875165593 PKGOCFNTHJQGLS-YBFXNURJSA-N 448.518 7.211 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)[C@@H](C)c1ccccc1 1875171511 ADUJSOVJGXRQTJ-RPAADVPWSA-N 444.527 5.926 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc(Cl)c1OC(=O)COC 1875189383 NTIXTFPSPSWBKR-QPJJXVBHSA-N 443.710 5.493 30 10 IKEE C#CC(C)(C)C[C@@H](NC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875652153 UMQDVZYPEOVWNG-LEAFIULHSA-N 443.587 5.516 30 10 IKEE C#Cc1cc(C(=O)OC)c(C)c(N(C)C(=O)OCC2c3ccccc3-c3ccccc32)c1 1887520745 HVECCTJLMZSDDG-UHFFFAOYSA-N 425.484 5.148 30 10 IKEE C=CCN(CC[C@H](NCCC)c1cc(F)ccc1Br)C(=O)OC(C)(C)C 1898259836 GSDBWYGURWPCHN-SFHVURJKSA-N 429.374 5.442 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(C(=O)OC(C)(C)C)CC[C@@H]2C)c1 1999937468 BHXUYMSLSHTADI-MHECFPHRSA-N 429.561 5.276 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccccc1Cl)c1cc2ccccc2o1 2033813293 NGJLAANOXOIMLM-NRFANRHFSA-N 449.915 5.926 30 10 IKEE CC(C)N[C@]1(C#N)CCC[C@@H]1CCN(CCN(C)Cc1ccccc1)Cc1ccccc1 2034739702 PADGUUMVLZASHN-IZLXSDGUSA-N 432.656 5.071 30 10 IKEE C=C(CC[C@@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C)C(C)C 2049389081 BDHQMRXFDYJGII-UXHGLCPDSA-N 440.756 8.415 30 10 IKEE Cc1ccc([C@@H](n2nc(C(C)C)c(C#N)c2I)C(C)(C)C)c(F)c1 2079042070 DGWDFRGCRYVCQX-QGZVFWFLSA-N 439.316 5.566 30 10 IKEE Cc1ccc([C@H](C(C)C)n2nc(C(C)C)c(/C=N/O)c2I)cc1F 2079097021 FLTUDFGAJTVXPN-AAWXNRKFSA-N 443.304 5.112 30 10 IKEE ON=Cc1c(C2CCC2)nn([C@H](c2ccc(C(F)(F)F)cc2F)C2CCC2)c1Cl 2079926339 AFSUBHXIIBEFSU-SFHVURJKSA-N 429.845 6.160 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(Cc3ccccc3)C3(CC3)C2)c1 2104008914 CRRMBMIOURUVJZ-MHZLTWQESA-N 447.579 5.528 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](CNc2cc(Br)cc(C#N)c2)[C@@H]2CCCC[C@H]21 2179393628 SOOUPMIIJIAEKX-ZYSHUDEJSA-N 434.378 5.158 30 10 IKEE C#C[C@H](CC(C)C)NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC 2210719660 GYMYNODNZARHNR-OUDXUNEISA-N 446.591 5.104 30 10 IKEE C=CCCCCCCC[C@H](O)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2227280871 DGHANYYMDAAEBZ-IBGZPJMESA-N 426.395 6.746 30 10 IKEE CCCc1ccc(C#C[C@H](CCCN(Cc2ccccc2)C(=O)OC(C)(C)C)NCC)cc1 2231230459 LLZWRQXIYDJWRQ-MHZLTWQESA-N 448.651 6.186 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2ccc(Br)cc2C#N)C[C@@H]2CCCC[C@@H]21 2240971795 GWZSFGRCLRJTNB-FNHZYXHNSA-N 434.378 5.301 30 10 IKEE C=C(C)CCCC[C@@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2250143637 YMJWMTIBEDXLQW-QPTUXGOLSA-N 432.649 5.990 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCC[C@@]2(C)CNC(=O)OC(C)(C)C)cc1 2258805216 JLZOSSAFJOHBQS-DQEYMECFSA-N 443.588 5.714 30 10 IKEE Cc1cc(OCc2ccccc2)ccc1Nc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2266065282 IKBKDKVZKSVESS-UHFFFAOYSA-N 434.320 5.151 30 10 IKEE C=CCCC1([C@H](NC)c2c(Cl)cccc2Br)CN(C(=O)OC(C)(C)C)C1 2266301024 UAVKTYYQAPUPAB-QGZVFWFLSA-N 443.813 5.566 30 10 IKEE CC1(C)OB(c2cccc(C(=O)N(Cc3ccccc3)C3CCCCC3)c2F)OC1(C)C 2266975890 MDOZNMKKRPSAAB-UHFFFAOYSA-N 437.364 5.100 30 10 IKEE CC(C)(C)OC(=O)NCc1c(Cl)cccc1Nc1cc(Br)ccc1C#N 2268618901 AZTJENWYFUBQJO-UHFFFAOYSA-N 436.737 5.742 30 10 IKEE C=CC[C@]1(COc2cccc(Br)c2N)CCCN(C(=O)OC(C)(C)C)C1 2272151765 WUUJCRHUXGYZLH-FQEVSTJZSA-N 425.367 5.004 30 10 IKEE C=C(CC)C[C@](C)(OCCC(=O)O)c1cc(Br)c(Br)s1 2292126073 CQVHWINLODLROP-AWEZNQCLSA-N 426.170 5.336 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)SC1=S 2293284939 HHBYSUIXVDXTBR-UHFFFAOYSA-N 436.385 5.960 30 10 IKEE O=C1C(=Cc2cc(Br)c(O)c(Br)c2)Oc2c1ccc1ccccc21 2295033437 NZLRFHDNUNUHND-UHFFFAOYSA-N 446.094 5.687 30 10 IKEE CC(C)(C)OC(=O)Nc1c(Cl)cc([C@@H](O)C#Cc2ccccc2Cl)cc1Cl 2295236098 BOAPUZQKNLVIKB-KRWDZBQOSA-N 426.727 6.079 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@](C)(NC(=O)OC(C)(C)C)C(C)(C)C 2296278370 CSCZJKXVXCKDIV-XMSQKQJNSA-N 437.422 5.108 30 10 IKEE Cc1ccc(CN2c3ccsc3C(=O)C(=CNc3cc(C)ccc3C)S2(=O)=O)cc1 2296957063 FWKOGAZNEVNWLC-UHFFFAOYSA-N 438.574 5.160 30 10 IKEE COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=Cc2cc(C)n(-c3ccccc3)c2C)C1=O 2297312883 LZFWNEIASLXRKR-UHFFFAOYSA-N 440.543 5.588 30 10 IKEE O=C(C=Cc1ccc(Br)cc1)Oc1ccc(C=Nc2ccc(Cl)cc2)cc1 2297450895 CIHHNIOZHNJFRI-UHFFFAOYSA-N 440.724 6.472 30 10 IKEE COc1ccccc1C=CC=C(C(=O)c1ccc(OC(C)C)cc1)c1nc2ccccc2o1 2297471879 CKAOPUXNKXQXMS-UHFFFAOYSA-N 439.511 6.603 30 10 IKEE COc1ccccc1CN1COc2ccc3c(c2C1)OC(=CC=Cc1ccccc1)C3=O 2321993711 HGIRXZFMANDTMK-UHFFFAOYSA-N 425.484 5.220 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Br)cc(OC)c2OCCC)cc1 2322401835 CWBBFDLJIWCFKY-UHFFFAOYSA-N 431.370 6.485 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C(C)C)cc2)c1OCC(=O)NCc1ccco1 2322738068 APVHUNLSLWYIDZ-UHFFFAOYSA-N 433.504 5.003 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OC(=O)CCc3ccc(Cl)cc3)ccc2C1=O 2323101768 QIDJORLRLQHVQS-UHFFFAOYSA-N 448.902 5.893 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3cc(C)cc(C)c3)c2)cc1 2323157898 XURXGIFHHYNPQN-UHFFFAOYSA-N 443.543 6.006 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)c3ccc(C(F)(F)F)cc3)cc(C)c2C1=O 2323352756 ODDVNTJOLGDUJJ-UHFFFAOYSA-N 438.401 6.158 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OCC(=O)Nc1ccccc1 2323417086 HOIMDYLUXPZHIF-UHFFFAOYSA-N 437.495 5.762 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCc3ccc(C)cc3)c(Br)c2)cc1 2323466192 ZAWMOUPTUQOEGO-UHFFFAOYSA-N 435.361 6.795 30 10 IKEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3cccc(Cl)c3)cc2[N+](=O)[O-])o1 2323766910 RCNWANQTEUYYCB-UHFFFAOYSA-N 441.823 5.103 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OCc1cccc(Cl)c1 2323852527 ATZSGAFLFNGNGQ-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE C=CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2F)C3=O)c1 2323854675 MYUREJUVQKJYAC-UHFFFAOYSA-N 430.431 5.534 30 10 IKEE COc1ccc(C=NNc2nc(-c3ccc(C)c(C)c3)cs2)c(Br)c1O 2323864717 LGLAAPKLQGPEEP-UHFFFAOYSA-N 432.343 5.350 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 2323919593 OGTPNSKSWIYXKY-UHFFFAOYSA-N 443.499 6.115 30 10 IKEE C=C(C)COc1c(Br)cc(C=CC(=O)c2cc(C)ccc2OC)cc1OC 2324006378 UEQGFCPKIBZMFN-UHFFFAOYSA-N 431.326 5.626 30 10 IKEE O=C1C(=Cc2c(F)cccc2Cl)Oc2c1ccc(O)c2CN1CCCc2ccccc21 2324023772 ZEHJRYALKCSKLT-UHFFFAOYSA-N 435.882 5.754 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3F)c([N+](=O)[O-])c2)cc1F 2324115936 NSHQWUPFOXELLP-UHFFFAOYSA-N 425.387 5.357 30 10 IKEE CCCCOC(=O)COc1ccc2c(c1C)OC(=Cc1cccc(Br)c1)C2=O 2324297859 BZPSFDAXLGACQH-UHFFFAOYSA-N 445.309 5.096 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OCc1ccccc1Cl 2324356025 SHIMQURKUXPUBC-UHFFFAOYSA-N 448.990 7.447 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2sccc2C)C3=O)c1 2324464614 PQZUNUAJESXWRZ-GOSISDBHSA-N 447.556 6.004 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(O[C@H](C)C(=O)Nc4cccc(C)c4C)c3C)C2=O)c1 2324505464 AIUHOHBOOPFSLL-HXUWFJFHSA-N 441.527 5.942 30 10 IKEE CC(C)c1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 2324534801 MIDJCYRQXBSEGP-GOSISDBHSA-N 441.383 7.130 30 10 IKEE Cc1cccc(OCCCOc2cc(C)c3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)c1 2324563957 XVBRMPVQPATWGJ-UHFFFAOYSA-N 434.919 6.421 30 10 IKEE Cc1ccc(OCCCCOc2ccc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)cc1 2324588938 YSWFEBDIJJGDKR-UHFFFAOYSA-N 432.491 6.297 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccc(OC)c(Cl)c2)cc1 2324607170 LCUKNNHSOMQXSV-UHFFFAOYSA-N 429.944 5.272 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 2324693817 CGRQZPGGUPWRMM-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE CCCCCCCCCOc1cc(C)c2c(c1)OC(=Cc1ccc(Cl)cc1Cl)C2=O 2325196561 WPXZGVHCNFFRAE-UHFFFAOYSA-N 447.402 8.047 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCCC)nnc1C1CCC(CCCC)CC1 2325424575 CGXNCRAEUMTHOV-UHFFFAOYSA-N 440.657 6.691 30 10 IKEE Cc1cccc(C=Nn2c(CCc3ccccc3)nnc2SCc2cc(C)ccc2C)c1 2325448732 LUPDYZRPYSQSPB-UHFFFAOYSA-N 440.616 6.163 30 10 IKEE COc1cc(C=CC(=O)C(=O)Nc2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1 2325649770 YNWDSZSDHKGOJB-UHFFFAOYSA-N 443.543 5.793 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC(=O)COCc3ccccc3)c2)cc1 2325712913 LKXGBPWWOKUEOS-UHFFFAOYSA-N 428.528 6.048 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4F)cc(C)c3C2=O)cc1 2325739507 CRMHTNOBJJFZKF-UHFFFAOYSA-N 447.462 5.167 30 10 IKEE CCSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1ccccc1F 2325909033 RRBXYMAOUAVZAG-UHFFFAOYSA-N 425.316 5.297 30 10 IKEE CCOc1c(Cl)cc(C=Nn2c(C)nnc2SCc2ccccc2F)cc1Cl 2326265666 JYRQCZJWNPFQRM-UHFFFAOYSA-N 439.343 5.606 30 10 IKEE CCCOc1ccc(C=Nn2c(C)nnc2SCc2ccccc2Cl)cc1OCC 2326539880 BCFHERAQADMTHM-UHFFFAOYSA-N 444.988 5.602 30 10 IKEE CCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1ccc(C(F)(F)F)cc1 2326991744 RTYFOOLBWKAQJG-UHFFFAOYSA-N 448.514 5.611 30 10 IKEE CCCOc1cccc(C=Nn2c(COc3ccc(C)cc3C)nnc2SCCC)c1 2328904662 POJVJNQZCBWULX-UHFFFAOYSA-N 438.597 5.647 30 10 IKEE CCCSc1nnc(Cc2ccc(F)cc2)n1N=Cc1ccc(N(CC)CC)cc1 2329852985 SNGSXGKATVNXKU-UHFFFAOYSA-N 425.577 5.239 30 10 IKEE CCc1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2[C@H](C)c2ccccc2)cc1 2330073881 ZVZZSRDKJGIYMK-OAQYLSRUSA-N 440.616 6.475 30 10 IKEE C=C(C)CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1cccc(Br)c1 2330102022 XVWXTWPVJQRMBF-INIZCTEOSA-N 441.398 5.743 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCCc2ccccc2)nnc1-c1cccs1 2330587373 BBWNAHDBDCADDO-UHFFFAOYSA-N 448.617 6.012 30 10 IKEE COc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc(Cl)c1OC(=O)C(C)C 2330592360 ZTOQZZMDMYLLDY-UHFFFAOYSA-N 434.919 6.473 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3ccc(C=CC(=O)c4ccc5ccccc5c4)cc3)c(C)c2c1 2330653524 MSBPTHHULKZKLS-UHFFFAOYSA-N 445.518 7.053 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 2330825662 JOEHGUIYEVJUJB-UHFFFAOYSA-N 429.472 6.053 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Br)c(OC(=O)C3CCC3)c(OC)c2)cc1 2330977177 XRGOXDAOVKGVNG-UHFFFAOYSA-N 445.309 5.068 30 10 IKEE COc1ccc(C=Nn2c(SCCc3ccccc3)nnc2C2CCCC2)c(OC)c1 2331077800 QFSDLZCIEIPFMS-UHFFFAOYSA-N 436.581 5.170 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccnc3)cc2)cc1OCCC 2331109105 WVZYMPZQWYESNN-UHFFFAOYSA-N 445.515 5.775 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(CC)cc3)c(OC)c2)cc1 2331212875 FTKVDFKTAAXDME-UHFFFAOYSA-N 430.500 5.772 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3cccc(C)c3C)c(Cl)c2)cc1 2331259972 AZQAEAWQTBJGTF-UHFFFAOYSA-N 434.919 6.146 30 10 IKEE Cc1cc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(F)c3)cc2Cl)ccc1F 2331556889 AKSFPKNIWWEYJN-UHFFFAOYSA-N 444.836 6.110 30 10 IKEE C=CCSc1nnc(C(C)C)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2331704920 YXHANGWYEQWQFO-UHFFFAOYSA-N 426.973 5.794 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)CCCSC 2331705613 OGIVYDLPTVHFRD-UHFFFAOYSA-N 428.550 5.265 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)COc1ccc(C)cc1C 2331715235 WPUJVSOAHGIBEO-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE CCCCCOc1ccc(C=NNc2oc(Cc3cccc4ccccc34)nc2C#N)cc1 2331932803 XLOOPQZJTHFQGP-UHFFFAOYSA-N 438.531 6.305 30 10 IKEE C=CCOc1ccccc1C=C1C(=O)N(Cc2ccc(Cl)cc2)N=C1c1ccccc1 2332114352 SQFKZZJJQADPRL-UHFFFAOYSA-N 428.919 5.735 30 10 IKEE CC1(C)CN(Cc2ccccc2)C[C@H]1CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2365050911 UNCGGWNQLQNDPS-WOOPDLCSSA-N 447.432 5.296 30 10 IKEE Cc1ccc(-c2coc(-c3ccc(NS(=O)(=O)c4cccc(C#N)c4)cc3)n2)cc1C 13360715 CDPAECUEMJKYNG-UHFFFAOYSA-N 429.501 5.298 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(C)s1)N2 14456545 KUJOCSUTWKTUQY-YCRNBWNJSA-N 426.607 5.246 30 10 IKEE Cc1ccc(/C=C/C(=O)c2ccc(OC(=O)N(c3ccccc3)c3ccccc3)cc2)cc1 34954557 DSIBXNBCEFOPRQ-LTGZKZEYSA-N 433.507 7.228 30 10 IKEE C=CCc1ccccc1OCCCCn1c(COc2cccc(OC)c2)nc2ccccc21 40234641 IUFZBYVJBBWPEN-UHFFFAOYSA-N 442.559 6.212 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc([N+](=O)[O-])cc1)C3=O)CN([C@H](C)c1ccccc1)CO2 41588200 LCXUSBOJERAQKE-NSTHGIQOSA-N 442.471 5.433 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OC(=O)Cc4ccccc4)cc(C)c3C2=O)cc1 62926585 IZRHDRIEVCSSTR-XYGWBWBKSA-N 441.527 5.606 30 10 IKEE C=CC(C)(C)[C@H](C(=O)OC)[C@@H](O)c1ccc(OCc2ccccc2)cc1OCC=C(C)C 71973899 FAJUZELWJXCGBQ-DQEYMECFSA-N 438.564 5.645 30 10 IKEE CCCCCCCCNc1ccnc2c1ccc1c(NCCCCCCCC)ccnc12 100000850 JNENBKXKAGFDOY-UHFFFAOYSA-N 434.672 8.328 30 10 IKEE COc1ccc(OC)c(/C=C2\S/C(=N/c3nc(-c4ccccc4)cs3)N(C)C2=O)c1 101129949 XJAWADTUPTXANT-QLIPUSLZSA-N 437.546 5.061 30 10 IKEE CCCCCCCCCCn1c([C@H](C)NC(=O)/C=C\c2ccccc2)nc2ccccc21 102124385 BKVDIIFTJLSEMZ-FBBFKJPPSA-N 431.624 7.068 30 10 IKEE O=C1C(=O)N(c2ccc(F)cc2)[C@@H](c2ccc(Cl)cc2)/C1=C(/O)c1ccc(Cl)cc1 102625857 CDPGZSMPWXGRIE-LCPUNJGISA-N 442.273 5.759 30 10 IKEE CCCCCCCN1C(=O)[C@H](CC)Oc2ccc(-c3csc(-c4ccccn4)n3)cc21 103754256 KAFCVODRKRQESR-QFIPXVFZSA-N 435.593 6.347 30 10 IKEE N#Cc1ccc(CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1 115382645 OSRHBOQJGVGLNZ-UHFFFAOYSA-N 431.344 5.256 30 10 IKEE CCOc1cc(/C=N\Nc2nc(C)c(C(C)=O)s2)ccc1OCc1cc(C)ccc1C 169941738 RMYVOWGNTJWBJT-MXAYSNPKSA-N 437.565 5.695 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2cccs2)c1 169988921 KRXQJSAMLAJKRW-JOCHJYFZSA-N 444.512 5.017 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@H]2c2cccnc2)ccc1F 170003478 DYOKJYPAVLHVBX-QHCPKHFHSA-N 444.506 5.610 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2ccncc2)cc1 170018929 RWBITRUHFDRUGH-JOCHJYFZSA-N 448.906 5.225 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2C2CCCC2)cc1 170033820 SUKRAQPVUUTTQS-XMMPIXPASA-N 433.548 5.559 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@@H]1c1ccc(OC)cc1 170116711 PECRJIGNCAVPEM-NRFANRHFSA-N 443.927 5.126 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2OC)c1 170123661 ZTXMYEOJCIAMDE-DEOSSOPVSA-N 449.547 5.395 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccc1OC 170125668 LNRKZGSXFLKWSG-XMMPIXPASA-N 429.516 5.617 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1ccccc1OC 170125703 FZKHVILQTUZBPX-QHCPKHFHSA-N 437.536 5.253 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2cccs2)cc1 170157003 DZZLWICKHSDKPO-QHCPKHFHSA-N 447.556 5.881 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)cc(OC)c3o2)[C@@H]1c1cccs1 170165091 HWWZNTNJZGNGKJ-SFHVURJKSA-N 445.924 5.535 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccs2)cc1C 170166711 DJECFDGLDRHYEB-NRFANRHFSA-N 425.550 5.366 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1cccnc1)c1cc2cc(Cl)ccc2o1 170185008 NCSYOHAWZJYJEJ-OAQYLSRUSA-N 448.837 5.403 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1 170223362 UPJJWIVSQUSIHH-QFIPXVFZSA-N 431.463 5.234 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1ccccc1 170228641 YVDPHZQTGJPRKA-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1ccc(Cl)cc1 170236500 FJXFEGWUKUTKPR-NRFANRHFSA-N 427.928 5.424 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(F)cc1 170240178 JQZLMIRVZAIKSU-QHCPKHFHSA-N 427.431 5.663 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1ccc(F)cc1 170243308 YPLBEMIUXABWPC-HXUWFJFHSA-N 427.859 5.604 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(F)cc1)c1ccc(Br)cc1 170244131 BUPANEWDWODQPV-LJQANCHMSA-N 444.300 5.109 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(C(C)C)cc2)c1 170246102 BLOUXZRZLPQYEO-RUZDIDTESA-N 447.575 6.120 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccccc1F)c1ccc(Cl)c(Cl)c1 170253582 HFQMUHHIFBXDCP-IBGZPJMESA-N 434.294 5.653 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@@H]1c1cn(C)c2ccccc12 170269549 INZPQDIQUVHHHN-DEOSSOPVSA-N 446.547 5.299 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1C 170273940 PWPWWMWTNMJQQU-OAQYLSRUSA-N 437.879 5.029 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@H]1c1ccco1 170287849 YCYIGASFQWHLFZ-HSZRJFAPSA-N 447.487 5.106 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccc(C)o2)cc1 170300675 HNEZHUQCJPKRAQ-VWLOTQADSA-N 441.527 5.812 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@H]1c1sccc1C 170318632 GQQLVHFCFMCQBH-SFHVURJKSA-N 433.957 5.487 30 10 IKEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]3c3ccc(C(C)(C)C)cc3)nc2c1 170472279 UFQPFBIPROYZAL-OAQYLSRUSA-N 445.563 5.684 30 10 IKEE CC(C)c1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C(F)(F)F)c3)N(C)C2=O)cc1 252592234 BDVUPDOPKYNLCH-GOSISDBHSA-N 449.498 5.419 30 10 IKEE CCN1/C(=C/C=C2\SC(=Nc3cccc4ncccc34)N(C)C2=O)Sc2ccccc21 254289902 MLYQSWJIORZOBV-ZMUTZASKSA-N 444.585 5.785 30 10 IKEE CCCCCCCCCCCC(=NNc1ccc([N+](=O)[O-])cc1)c1cc(C)ccc1O 254683754 YLUKOOAOKITTJJ-UHFFFAOYSA-N 425.573 7.346 30 10 IKEE COc1ccc(C=NOCc2nc3c4c5c(sc4ncn3n2)C[C@H](C(C)(C)C)CC5)cc1 254819629 XMHJAHMAVCZNBK-MRXNPFEDSA-N 449.580 5.049 30 10 IKEE Cc1ccc(COc2cccc(OCc3ccccc3)c2)cc1B1OC(C)(C)C(C)(C)O1 399155814 IXVTXDLMXPDRAS-UHFFFAOYSA-N 430.353 5.452 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)cc1Cl)NC 406217336 KJXZSBBZNUTYRE-SJORKVTESA-N 431.802 5.093 30 10 IKEE Cc1ccc([C@@H]2C(c3cccc(OCC(C)C)c3)=C(O)C(=O)N2c2ccc(C#N)cc2)o1 526489139 SHQXKXVTFIBLLC-XMMPIXPASA-N 428.488 5.552 30 10 IKEE Cc1[nH]c2ccccc2c1[C@H]1C(c2ccc(Cl)cc2)=C(O)C(=O)N1c1ccccc1C#N 526607154 SCDNSNGDGVTWCK-DEOSSOPVSA-N 439.902 6.059 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)cc1 526708182 LZJJRYDRIRBVGV-HSZRJFAPSA-N 445.946 6.420 30 10 IKEE CCc1nnc(SCc2ccccc2F)n1/N=C\c1cc(Cl)c(O)c(Cl)c1 526802345 DXPSPBCADOHALG-AFPJDJCSSA-N 425.316 5.167 30 10 IKEE CCOc1cc(/C=N\n2c(CC)nnc2SCc2cccc(C)c2)cc(Cl)c1OC 526807708 DMQHZKVFZYJSKR-CFRMEGHHSA-N 444.988 5.384 30 10 IKEE CCOc1cccc(/C=N\n2c(C)nnc2SCc2c(Cl)cccc2Cl)c1O 526814806 SQZOLFFOEFRNEH-YVNNLAQVSA-N 437.352 5.172 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccccc2C)c1 526820058 RDILFPXAFUDCBY-PKAZHMFMSA-N 426.589 5.969 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1c(C)[nH]c2ccccc12 526824486 ZPYWSWMYDYJFPZ-MYKKPKGFSA-N 444.391 6.112 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)Nc3ccc(C)c(C)c3)C2)c1 585880404 NYFHBCHVCDTUSJ-DEOSSOPVSA-N 448.611 5.567 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)c3ccc(C)c(C)c3)C2)c1 586002028 MIBFOWHZIMQRJE-DEOSSOPVSA-N 433.596 5.176 30 10 IKEE C=CCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(CCCCCC)cc1 586233922 STXOXWPGYNHRFZ-UHFFFAOYSA-N 449.616 6.983 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@](C)(C#N)CCCC(F)(F)F 698449993 BRBSKQQXWZIHOU-QGZVFWFLSA-N 435.284 6.205 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@H](C#N)c1cc(Br)c2c(c1)OCO2 700604503 MMQUQQLRBXETIO-INIZCTEOSA-N 437.334 5.312 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 724069283 ITYWBRLWTNGFBN-MWTRTKDXSA-N 433.524 5.154 30 10 IKEE Cc1ccc(CSc2nc3ccc(N=Cc4c(F)cccc4Cl)cc3s2)cc1 1084140376 KXLVYAAJLLAWMQ-UHFFFAOYSA-N 426.969 7.440 30 10 IKEE O=C1C(=NN(Cc2ccccc2)c2ccccc2)c2ccccc2N1CCOc1ccccc1 1084433538 MFGXHSAZJYFTKQ-UHFFFAOYSA-N 447.538 5.523 30 10 IKEE C[C@@H]1C[C@@H](C)CN(/C(=N/[C@H]2CCCC[C@@H]2N)Nc2ccc(OCc3ccccc3)cc2)C1 1088664895 LYFUYOXLCDZITP-VCPRHENPSA-N 434.628 5.281 30 10 IKEE CCOC(=O)[C@@]1(C#N)C(=O)/C(=C\c2ccccc2Cl)SC1=Nc1ccccc1Cl 1088693676 TXAVTQDSSMPLNW-GJBQDPRTSA-N 445.327 5.453 30 10 IKEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CCC(C)(C)C1CC1 1300284462 SJIJWVDKJJLBPI-HNNXBMFYSA-N 445.405 5.000 30 10 IKEE CCc1ccc(/C=C2\SC(=Nc3cccc(C(=O)O)c3)N(c3ccccc3)C2=O)cc1 1772734391 FGHIDUACFLOFQM-JXJWTFEASA-N 428.513 5.756 30 10 IKEE COc1cccc(/C=C2\SC(=Nc3nccs3)N(C3CCCCC3)C2=O)c1OC 1772737017 VXWRNWUHEPXQBE-UYOSNAKGSA-N 429.567 5.097 30 10 IKEE O=C1/C(=C\c2ccccc2Cl)SC(=Nc2ccncc2Cl)N1c1ccccc1 1772737125 NLUDXGBSDCJRMY-KHCNQNERSA-N 426.328 6.197 30 10 IKEE N#Cc1c(NC(=O)CCc2ncc(-c3ccc(Cl)c(Cl)c3)o2)sc2c1CCCC2 1859742990 RAPOQOTUSOCWRF-UHFFFAOYSA-N 446.359 6.032 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@H](C)Sc2nc(O)c(C#N)c(-c3cccc(Cl)c3)n2)c1 1860463680 NGHSUPUZLXJMBT-CQSZACIVSA-N 438.940 5.110 30 10 IKEE O=C(/C=C/c1ccccc1Br)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 1860726580 UXHLTQILOSLLJC-VMPITWQZSA-N 432.623 5.342 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccc(C)c(C)c1 1861094072 WMBYBOXKUVCAFA-SANMLTNESA-N 436.640 5.440 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCSC)NC(=O)/C=C/c1ccc(F)cc1 1861117791 CQEGEEJCWNYNKY-ANCZKMTESA-N 436.637 5.334 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc(C(=O)O)cc2)cc1 1862393255 QYYUOVHEEWXTCO-QHCPKHFHSA-N 449.547 5.352 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2cccc(OCCC)c2)cc1 1862396462 DTOMSCDFVKIHNK-CLOONOSVSA-N 449.591 6.195 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccc(Cl)cc2Cl)cc1C 1862408901 WZSZPEZXWQMDKB-LJQANCHMSA-N 434.319 5.297 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@H]1c1cccc(O)c1)c1ccc(F)cc1F 1862412003 UGSAKTIMCUFYIW-QFIPXVFZSA-N 441.474 5.362 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(C)cc1 1862413093 UXNZSSUXPIPGIQ-QHCPKHFHSA-N 449.453 5.060 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(Cl)cc1)c1ccc(F)cc1F 1862417637 WDJAYOYPBHKILY-LJQANCHMSA-N 445.874 5.458 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862431879 QKQMOAHLCHWJDI-XDHUDOTRSA-N 445.946 6.242 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cccc(Cl)c1)c1ccccc1Cl 1862432970 QZNDHMKLNCJQPV-FQEVSTJZSA-N 430.331 5.904 30 10 IKEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1cccc2ccccc12)c1ccccc1Cl 1862435579 ZEIYIPLKLMABAL-UZUQRXQVSA-N 447.918 5.251 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@@H]2c2ccc(F)cc2)cc1 1862473982 IVOBHSREKPSNPH-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(O)c(OCC)c1 1862479922 SWGUQQZFXKXWNE-HSZRJFAPSA-N 437.536 5.258 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(OCCC)cc1 1862494821 HGGNTLOWTUZYIT-XMMPIXPASA-N 435.564 5.861 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc(Cl)cc2)ccc1F 1862503533 ZHUCHPSSYRCMBS-OTPBECDQSA-N 441.930 5.945 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CC(C)C)cc1 1862546615 AYGKXWKYZSGYDG-XMMPIXPASA-N 433.548 5.198 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCCO)cc1 1862616031 OWDPWBLIRYMXIB-QHCPKHFHSA-N 435.564 5.068 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3cccc4ccccc34)C2=O)c1 1862844388 KOSDMDMOSZUQAY-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3cccc4ccccc34)C2=O)c1 1862844572 UBVUJIBBOMMEKP-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE CCCCOc1ccccc1NC1=C(c2cccs2)C(=O)N(c2ccc(C#N)cc2)C1=O 1863110651 ZCYDIGGSBPXMAU-UHFFFAOYSA-N 443.528 5.195 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2Oc2ccccc2)=C(c2c[nH]c3ccccc23)C1=O 1863495166 GMRHEBPLLSCDOI-UHFFFAOYSA-N 435.483 5.338 30 10 IKEE C=CCNC1=C(c2cc(Cl)ccc2Cl)C(=O)N(CCCCCCCCCC)C1=O 1863727662 ZIKHHASDCXVDMD-UHFFFAOYSA-N 437.411 5.990 30 10 IKEE C=CCn1cc(OCCCOc2ccc(CC)cc2)c(=O)cc1CSc1ccc(C)cc1 1870267833 PXAQWUONVZFSTR-UHFFFAOYSA-N 449.616 6.045 30 10 IKEE CCCCCCCOc1cn(C[C@H]2CCCO2)c(CNc2ccc(Cl)c(C)c2)cc1=O 1870833152 ACCORJDQKUNVPX-JOCHJYFZSA-N 447.019 5.950 30 10 IKEE CCCCCCCOc1cn(Cc2ccco2)c(CNc2ccc3cc[nH]c3c2)cc1=O 1870836400 MOBXSKGXMFFDDF-UHFFFAOYSA-N 433.552 5.932 30 10 IKEE CCCCCCCCCCn1cc(OCCC)c(=O)cc1CNc1ccc2c[nH]nc2c1 1871106458 OIESRAZWKXEJQX-UHFFFAOYSA-N 438.616 6.266 30 10 IKEE CCCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccccc1Br)C3=O 1871346453 GWAULDFMIGDLEV-NDENLUEZSA-N 442.353 5.716 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc4c(c1)OCO4)C3=O)CN([C@H]1CCCC[C@@H]1C)CO2 1871355890 LKHJUWMNFFEARM-RMFRHHRQSA-N 433.504 5.071 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCCCOc4cccc(C)c4)cc(C)c3C2=O)cc1 1871406299 QXIOMAQSPQCYSS-XYGWBWBKSA-N 430.500 5.776 30 10 IKEE CC(C)(C)c1ccc(/C=C2\Oc3cc(OCC(=O)NCc4ccccc4)ccc3C2=O)cc1 1871419515 JXUXEZSIHCJUIT-MYYYXRDXSA-N 441.527 5.296 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4c(C)cccc4C(C)C)ccc3C2=O)cc1 1871422467 LXQIAIIGADNNNQ-QFEZKATASA-N 441.527 6.061 30 10 IKEE Cc1c(OCC(=O)N[C@H](C)c2ccccc2)ccc2c1O/C(=C\c1cccc(Cl)c1)C2=O 1871424609 PFBWYYDUTPSTBI-NQRZERFFSA-N 447.918 5.521 30 10 IKEE CC(C)(C)c1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 1871444932 CFGJLHZICZBPOU-OYKKKHCWSA-N 445.490 5.757 30 10 IKEE Cc1cccc(COc2ccc3c(c2C)O/C(=C\c2cccc(Br)c2)C3=O)c1 1871454955 CMILKVOCAJSNCY-XKZIYDEJSA-N 435.317 6.261 30 10 IKEE Cc1cccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)c1 1871456617 NRSRXFDYLAQHOH-OYKKKHCWSA-N 442.515 5.003 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4cc(Cl)ccc4C)c3C)C2=O)cc1 1871457428 GGYPBYZLOCPIOA-FMCGGJTJSA-N 447.918 5.899 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(C)c(C)c1 1872412333 JJDCEFLBEIBTPA-XMMPIXPASA-N 442.625 5.376 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(Cl)cc1C)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872508636 YVGVSKHEODMBGI-VGOFRKELSA-N 449.016 5.187 30 10 IKEE CCc1ccc(-c2csc([C@@H](C#N)C(=O)CCCCCNC(=O)c3ccccc3)n2)cc1 1872761504 OTINWVIZDKCWJQ-QFIPXVFZSA-N 445.588 5.539 30 10 IKEE CCc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccc4ccccc4c3)n2)cc1 1872761795 WDWNSQHQEMNLKO-XMMPIXPASA-N 440.568 6.561 30 10 IKEE CC(C)COc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 1872768756 BJDYIFYFFXRWNM-KRWDZBQOSA-N 445.371 6.642 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccc4ccccc4c3)n2)c(C)c1 1872769233 MYDTXOOVFZEXMC-XMMPIXPASA-N 440.568 6.616 30 10 IKEE Cc1cc(C)c(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(C(C)(C)C)cc3)n2)c(C)c1 1872786576 NNIVUYRRXYJSOF-FQTAANOTSA-N 428.601 6.923 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2)C(=O)N(CCCN(CC)CC)C1=O 1873159364 QOSNHMRJXFRHID-UHFFFAOYSA-N 441.660 5.229 30 10 IKEE CCCCCCCCCCNc1ncnc2c1ccc(=O)n2-c1cc(Cl)cc(Cl)c1 1873538541 DMMRBSGXVKVXDO-UHFFFAOYSA-N 447.410 6.640 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCC(=C)C)n1/N=C/c1ccc(C)cc1 1874227031 PQOPEBZUSBHTEE-MFKUBSTISA-N 434.565 5.281 30 10 IKEE C=CCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccccc1OCCC 1874270583 YKAJWTLEPNYCNP-ZXVVBBHZSA-N 442.588 5.971 30 10 IKEE Cc1ccc(/C=N/n2c(Cc3ccccc3[N+](=O)[O-])nnc2SCc2ccccc2)cc1 1874297238 QUTMKTSTJXRPSU-PCLIKHOPSA-N 443.532 5.260 30 10 IKEE C=CCSc1nnc(COc2c(C)cccc2C)n1/N=C/c1ccc(C(C)(C)C)cc1 1874300310 NLBWSFFYNVRQPQ-WGOQTCKBSA-N 434.609 5.932 30 10 IKEE Cc1ccc(Cc2nnc(SCCCO)n2/N=C/c2ccc(Cl)c(Cl)c2)cc1C 1874358829 BOGOUOGWOFYNAY-ZMOGYAJESA-N 449.407 5.149 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@@H](C)c3ccccc3)n2/N=C/c2cccc(F)c2)c1 1874395093 CYWDDHPVSFALMT-MEAKTTDOSA-N 444.579 6.360 30 10 IKEE Cc1ccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2cccc(Cl)c2)cc1 1874405331 SSQQGPCCEVSXOA-WGOQTCKBSA-N 439.028 6.537 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2-c2cccs2)cc1 1874423983 OIVRCUUSZVWPGL-WGOQTCKBSA-N 440.597 6.643 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2-c2ccccc2)cc1 1874428685 WRJVYMCPVVKTPH-WPWMEQJKSA-N 426.589 6.299 30 10 IKEE O=C(O)c1ccccc1/C=N/n1c(SCc2cccc(Cl)c2)nnc1C1CCCC1 1874457107 AWCBIWPMINMJEX-ZMOGYAJESA-N 440.956 5.462 30 10 IKEE FC(F)(F)c1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccccc1Cl 1874462700 BGAAOEAOZQJEPS-NUGSKGIGSA-N 431.270 5.778 30 10 IKEE CCCCc1nnc(SCc2ccccc2C)n1/N=C/c1cccc(OC)c1OCC 1874476837 VNUDKEFPVNAPFD-PCLIKHOPSA-N 438.597 5.511 30 10 IKEE CCOc1c(/C=N/n2c(SCc3ccccc3C)nnc2C2CCC2)cccc1OC 1874495038 RCNCNNMAOJPZAK-MFKUBSTISA-N 436.581 5.436 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(SCCc2ccccc2)nnc1C1CCC1 1874495877 JZFGVIWEJIOCNU-OVVQPSECSA-N 442.588 5.924 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(Br)cc1 1874510192 GHGQARGANMRZCK-WSDLNYQXSA-N 449.805 5.821 30 10 IKEE C=CCSc1nnc(C(C)C)n1/N=C/c1ccc(OCc2ccc(C)cc2)c(OC)c1 1874514207 MYPRMTDUGUHJDR-MFKUBSTISA-N 436.581 5.458 30 10 IKEE CCOc1cc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C(C)C)ccc1O 1874515624 IKOBBWILILDGAA-FSJBWODESA-N 430.961 5.334 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2cccc(Cl)c2)c1 1874517031 QBWNFQPNGKOYIT-WYMPLXKRSA-N 439.972 5.039 30 10 IKEE Cc1ccc(COc2ccc(/C=N/n3c(S)nnc3[C@H](C)c3ccccc3)cc2)cc1 1874561412 QISFROOAMIHQIX-DZTFFZQKSA-N 428.561 5.488 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccccc1OCC(=O)N[C@@H](C)c1ccccc1 1874581260 DTBBVVJJFYYJTC-JWHUVLAVSA-N 429.516 5.156 30 10 IKEE CCOC(=O)c1ccc(COc2cccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)c2)o1 1874594003 MSKDEDGHUIXLSQ-GXDHUFHOSA-N 430.500 5.810 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1)Nc1ccc(F)cc1 1874604179 ZFDCHARGKMTROB-FRKPEAEDSA-N 429.491 5.618 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1 1874604762 DKJFYNJVACLBDD-NTUHNPAUSA-N 439.324 6.626 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OCC(=O)N[C@H](C)c1ccccc1 1874608527 SPIQZFWZICDGBY-QIXNEVBVSA-N 449.934 5.501 30 10 IKEE CCN(CC)C(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(C)cc2C)cc1OC 1874615347 STTSKONJFGNEHH-PKNBQFBNSA-N 429.944 5.109 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cccc(C)c3C)c([N+](=O)[O-])c2)cc1 1874615780 AAVKBEYHECOBED-UKTHLTGXSA-N 444.487 5.434 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OCC(=O)N(CC)CC 1874622553 JCZSVOLJFDDAHK-MHWRWJLKSA-N 437.580 5.526 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 1874625507 IJRPFFFSVTXUNI-VGOFMYFVSA-N 447.462 5.946 30 10 IKEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1Br 1874634095 LGNSDBBEPICCMC-SOFGYWHQSA-N 445.353 5.602 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(C)c(C)c3)c2)cc1OC 1874693901 BTSXXYFGPLEYFK-ZRDIBKRKSA-N 430.500 5.365 30 10 IKEE O=C(Oc1cccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1)c1ccc2c(c1)OCO2 1874695627 LHCOSUFBPBNFDR-XBXARRHUSA-N 441.266 5.837 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OC(=O)COc1cccc(C)c1C 1874703026 VOVCQDOCDYVXRI-GXDHUFHOSA-N 430.500 5.501 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)COC)c2)cc1 1874708736 RNLLMJYHCZMYAG-OQLLNIDSSA-N 440.536 5.492 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2cccc(OC(=O)CCOc3ccccc3)c2)c1C 1874710529 DXQMKFQQSOKXFZ-BUHFOSPRSA-N 428.528 6.191 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OC(=O)Cc1ccccc1Cl 1874713619 GMZYUKFTDLYNQP-FMIVXFBMSA-N 434.919 6.010 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C 1874717823 LYAKKSCJLLWMME-XNTDXEJSSA-N 442.555 6.725 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OC(=O)CC(C)C 1875104700 KKNHYVGDXYCUNC-VMPITWQZSA-N 437.319 5.858 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3F)c([N+](=O)[O-])c2)cc1 1875106644 YGSAYNNIWJKDBR-RVDMUPIBSA-N 447.462 6.192 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC(=O)[C@H](C)c1ccccc1 1875122616 RGBWWHKFUBGCLX-JZUUQJBKSA-N 436.454 5.969 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] 1875124733 ZNMHKFZDARKDBJ-WYMLVPIESA-N 443.927 6.800 30 10 IKEE CCc1ccc(CCC(=O)Oc2c(Cl)cc(/C=C/C(=O)c3ccccc3)cc2OC)cc1 1875127623 PCHOIURDHUKEIK-FYWRMAATSA-N 448.946 6.345 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)Cc1ccc(C)cc1 1875151605 TVEFWBFZWTWYHG-DHZHZOJOSA-N 444.483 5.167 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OC(=O)[C@H](C)c1ccccc1 1875163795 DDWLNPFLZSYZEZ-JZUUQJBKSA-N 436.454 5.969 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)cc3OC)cc2)cc1 1875178902 ISGTULOCABCWQQ-GZTJUZNOSA-N 444.527 5.701 30 10 IKEE N#Cc1ccnc(OC[C@H]2CCCN(C(=O)c3ccc(-c4cccc(Cl)c4)cc3)C2)c1 1891419246 IYKWTRHQXZERHT-IBGZPJMESA-N 431.923 5.205 30 10 IKEE CCN(CC)c1cccc(OCC#CCNC(=O)c2ccc(Oc3ccc(F)cc3)cc2)c1 1891735579 LMOMUDAPABTMOS-UHFFFAOYSA-N 446.522 5.276 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H](CCc1ccccc1)NC(=O)OC(C)(C)C 1922075985 AXRPYDPDMTVXGV-RPBOFIJWSA-N 438.612 5.264 30 10 IKEE C=C([C@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC)[Si](C)(C)C 1923016707 UEUOKWJGZCKBBF-VXKWHMMOSA-N 434.697 5.288 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1943898055 ZWAPEBAQZQUXJN-WZONZLPQSA-N 449.979 5.811 30 10 IKEE CCCCCCCCC[C@H](NCC)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1946523802 QVTYWNZEPADIDB-ZEQRLZLVSA-N 434.665 6.215 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@]1(C#N)CC(C)(C)[C@@H]1OCc1ccccc1 1950400202 LOHVDNDRIVGLTJ-NVQXNPDNSA-N 426.601 6.224 30 10 IKEE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccccc1C#N 1984693856 GABNUVDBIHCHPW-RUZDIDTESA-N 439.515 5.060 30 10 IKEE C#CCN(CC(C)C)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC 1984779069 OUMMZBHGBQLPQR-FNZWTVRRSA-N 446.591 5.058 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H]([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)C1 1993188794 WSSSEKYOXVRZDD-MAUKXSAKSA-N 435.952 5.231 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)C1 2004675393 VRSVXJMJRPQTKE-PKTZIBPZSA-N 430.633 5.411 30 10 IKEE C=CCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 2018644581 CSCCQLZKYFRAEJ-XMMPIXPASA-N 433.593 5.406 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCC(C)(C)N(C(=O)OC(C)(C)C)C1 2038519103 JUIVKDDNQXNPTE-VWLOTQADSA-N 443.588 5.808 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 2041560374 RENWTOCEOCMDNX-XDHUDOTRSA-N 447.551 5.497 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@@H](CNC(=O)OC(C)(C)C)C1(C)C 2053042392 AZKQHJUWDALFAO-AVRWGWEMSA-N 443.588 5.570 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)[C@H]2CCCC[C@@H]21 2058928103 DNYLETRAZWXCLV-RLSLOFABSA-N 441.572 5.500 30 10 IKEE CC(C)c1ccc([C@@H](C2CCC2)n2nc(C3CC3)c(C#N)c2I)cc1 2079935168 WTJKWHUFDFEYTI-HXUWFJFHSA-N 445.348 5.750 30 10 IKEE COc1ccc([C@@H](C2CCC2)n2nc(C3CCC3)c(C=NO)c2Br)c(F)c1 2080059494 AORJKQVSLRQLKE-LJQANCHMSA-N 436.325 5.258 30 10 IKEE C=C1CC(C[C@H](NCCC)c2cc(Br)ccc2I)C1 2125736874 ZPLPUWVJFGQTJQ-INIZCTEOSA-N 434.159 5.451 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCOCC12CCCC2 2149668533 QCUJDDQGNMEWEJ-OAQYLSRUSA-N 435.362 5.434 30 10 IKEE C=CCN(CC[C@@H](NCCC)c1c(Br)cnn1C(C)C)C(=O)OC(C)(C)C 2155517156 REJCFHRTXBHMFU-QGZVFWFLSA-N 443.430 5.080 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CCCC12CC2 2214442385 CLRREAZYJRBRCH-BKMJKUGQSA-N 428.617 5.355 30 10 IKEE CCCc1ccc(C#CC(=O)C[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1 2223325392 ZLMDYFSKPUUEBC-DEOSSOPVSA-N 435.564 5.060 30 10 IKEE C=CC[C@@H](C)[C@H](NCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229117220 XCCZSTOMNVSQPN-MNEFBYGVSA-N 425.411 5.075 30 10 IKEE C=CC[C@@H](C)[C@H](NCCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237428952 VETKLCTZFRFUJC-AHRSYUTCSA-N 439.438 5.465 30 10 IKEE CCc1ccc(C#C[C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1 2239644904 GPACSFSQHIRVQQ-GDLZYMKVSA-N 448.562 6.492 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C(C)C 2246560700 SQCGIUDFYOQYPP-TZRRMPRUSA-N 430.633 5.409 30 10 IKEE C=CCCC[C@H](OCCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2276894967 VOBRCYUMCZCTIM-MHZLTWQESA-N 445.603 6.607 30 10 IKEE CN(c1c(Br)cccc1C#N)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1 2285227376 IZOWUNDULITXAU-GOSISDBHSA-N 430.346 5.023 30 10 IKEE CCOc1ccc2ccccc2c1C=C1SC(=Nc2ccc(C(=O)O)cc2)N(C)C1=O 2293205556 FGIRRACNEFJGLH-UHFFFAOYSA-N 432.501 5.171 30 10 IKEE CCC[C@]1([C@@H](N)C#Cc2cccc(Br)c2)CCCCN1C(=O)OC(C)(C)C 2296288816 KQEILHWEGIDGKK-SIKLNZKXSA-N 435.406 5.088 30 10 IKEE N#Cc1c(-c2ccc(F)cc2)cc(-c2cccs2)nc1SCC=Cc1ccccc1 2296652616 IDFYAPSUCOWTBB-UHFFFAOYSA-N 428.557 7.293 30 10 IKEE CCCCN1C(=O)C(=C2Sc3ccccc3N2C)SC1=Nc1cccc2ccccc12 2297707831 PJPDUHHUSSOTPZ-UHFFFAOYSA-N 445.613 6.614 30 10 IKEE O=C(C=Cc1ccccc1OC(=O)c1ccccc1F)c1ccc(Br)cc1 2314430112 WQFBBFYYTBQPNC-UHFFFAOYSA-N 425.253 5.704 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1cccc(Cl)c1)C2=O)c1ccc(Cl)cc1 2314437173 FGIPYFJMWNMGHM-UHFFFAOYSA-N 425.267 5.871 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(OC)c(O)c1Cl 2318574075 DTAKYVJAUAAGDR-UHFFFAOYSA-N 448.951 5.302 30 10 IKEE C=CCSc1nnc(C2CC2)n1N=Cc1ccc(OCCCc2ccccc2)c(OC)c1 2320862610 LMVLEUPSNIIJNZ-UHFFFAOYSA-N 448.592 5.336 30 10 IKEE Oc1ccc2cc(Br)ccc2c1C=Nn1c(S)nnc1CC1CCCCC1 2321958537 ISMPJEYYSUKSMH-UHFFFAOYSA-N 445.386 5.193 30 10 IKEE O=C1C(=Cc2ccc(-c3ccccc3)cc2)Oc2c1ccc1c2CN(C[C@H]2CCCO2)CO1 2321961623 YWDQQZIMRXRHPZ-JOCHJYFZSA-N 439.511 5.301 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(N(C)C)cc1)O3)CN(Cc1cccs1)CO2 2321968389 YZIMTORLSSHSEL-UHFFFAOYSA-N 432.545 5.091 30 10 IKEE CCCCCOc1ccccc1C=Nn1c(S)nnc1CCc1cccc2ccccc12 2322206882 JVHSSTOEJINOTH-UHFFFAOYSA-N 444.604 5.956 30 10 IKEE CCc1ccc([C@@H](C)N2COc3cc(C)c4c(c3C2)OC(=Cc2ccc(C)o2)C4=O)cc1 2322260333 YKVVYLXKQGMKAV-GOSISDBHSA-N 429.516 5.988 30 10 IKEE Cc1ccccc1COc1ccc(Cl)cc1C=CC(=O)c1ccc(-c2ccccc2)cc1 2322305673 HCCMHMPHZYZUBX-UHFFFAOYSA-N 438.954 7.791 30 10 IKEE CC[C@H](C)N1COc2c(cc3c(c2C)OC(=Cc2cn(CC)c4ccc(OC)cc24)C3=O)C1 2322371060 LVNQUEFTMUFZFQ-INIZCTEOSA-N 446.547 5.545 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccco1)C3=O)CN([C@@H](C)C13CC4CC(CC(C4)C1)C3)CO2 2322456048 ZQJHVGGJNRJNKN-BBXRDKHSSA-N 445.559 5.961 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)c(C)c1 2322572862 FEFKLNJTGRSNKM-UHFFFAOYSA-N 445.773 7.739 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccccc2OCc2ccc(Cl)cc2Cl)cc1 2322605115 RJBMXYAIAJTEEJ-UHFFFAOYSA-N 441.354 7.257 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccccc1OCc1ccc([N+](=O)[O-])cc1 2322926857 UEFFUYHHBNSQAG-UHFFFAOYSA-N 437.879 6.040 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1OCc1c(Cl)cccc1Cl 2323230497 CUCKINLTWGZXRO-UHFFFAOYSA-N 449.280 6.755 30 10 IKEE C=C(C)COc1c(OC)ccc(C=CC(=O)c2ccc(OC)c(C)c2C)c1Br 2323247479 BMBLLHULYQPYOP-UHFFFAOYSA-N 445.353 5.934 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(OC(=O)c4cccc(F)c4)c3C)C2=O)c2ccccc21 2323290913 QUGQCHQMCDBBOX-UHFFFAOYSA-N 441.458 5.944 30 10 IKEE CCCCCCCC[C@@](C)(C(=O)O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 2323299960 JWRYALZKBGFCRH-NDEPHWFRSA-N 438.656 6.215 30 10 IKEE Cc1ccc(COc2ccc(C=CC(=O)c3ccc(-c4ccccc4)cc3)cc2[N+](=O)[O-])cc1 2323352564 NGNRXWRTVQPXOL-UHFFFAOYSA-N 449.506 7.045 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OC(=O)C=Cc4cccs4)cc(C)c3C2=O)cc1 2323530480 NULZNKIHVFYUJP-UHFFFAOYSA-N 432.497 5.690 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc3ccccc23)c([N+](=O)[O-])c1)c1ccccc1Cl 2323603932 OQPPAUXAKSFZHR-UHFFFAOYSA-N 443.886 6.877 30 10 IKEE CCCOc1ccc(C=NNc2nc(-c3ccccc3)c(C(=O)OC)s2)cc1Cl 2323865524 OAKSWFZEKUMNEV-UHFFFAOYSA-N 429.929 5.485 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OCC(=O)Nc1ccccc1C 2324261656 ZIRJICKLYDLFRI-UHFFFAOYSA-N 437.442 5.195 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)ccc1OCc1ccccc1 2324331782 BNSNVYSMQBGFGZ-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc([N+](=O)[O-])c1OCc1ccccc1F 2324451944 XMYXLHYWTCTYLA-UHFFFAOYSA-N 449.478 6.225 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(C(C)(C)C)cc3)n2)cc1F 2324627969 IKJLETLLSROBDV-IBGZPJMESA-N 434.536 6.145 30 10 IKEE CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccc(C)o2)C3=O)cc1 2325437740 KXMIFAPBDZDIKM-KRWDZBQOSA-N 445.471 5.121 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4cccc(Cl)c4)c3C)C2=O)cc1 2325717578 QKBOHGJOHIEGOR-UHFFFAOYSA-N 447.918 5.845 30 10 IKEE CCCCc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccccc2F)C3=O)cc1 2325719536 SXLBGWJADNKWIP-UHFFFAOYSA-N 445.490 5.802 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)COc1ccc2c(c1C)OC(=Cc1cccs1)C2=O 2325723801 NQXKZYZNNFIRFJ-UHFFFAOYSA-N 439.920 5.652 30 10 IKEE COc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4C(C)C)ccc3C2=O)cc1 2325725881 GUNBTDMUQZSTII-UHFFFAOYSA-N 443.499 5.452 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C)c(C)c4)ccc3C2=O)cc1 2325738577 NEBKWPNWCNEZCX-UHFFFAOYSA-N 427.500 5.500 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc1OC(=O)c1ccccn1 2325752193 FPUOCNGCNGNKIB-UHFFFAOYSA-N 445.515 5.512 30 10 IKEE CCCCCCC(=O)Oc1cccc(C=CC(=O)c2ccc(OC)c(OC)c2OC)c1 2325787853 ANTGEMDJXOBPLM-UHFFFAOYSA-N 426.509 5.484 30 10 IKEE C=C(C)CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccccc1 2326130699 XMAAYBFRRITLEB-UHFFFAOYSA-N 426.973 5.678 30 10 IKEE CCOc1cccc(C=Nn2c(CCCOc3ccc(CC)cc3)nnc2SCC)c1 2326315458 AOIFJPVANZPMFH-UHFFFAOYSA-N 438.597 5.245 30 10 IKEE Cc1ccc(C)c(OCc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccc[nH]2)c1C 2327250151 HNVYQEWEOAGHTH-UHFFFAOYSA-N 449.555 5.424 30 10 IKEE C=CCSc1nnc(COc2cc(F)ccc2F)n1N=Cc1ccc(OCCC)cc1 2327476580 VPQAXVDMZVUMNB-UHFFFAOYSA-N 444.507 5.084 30 10 IKEE CCCSc1nnc(COc2ccc(C)cc2C)n1N=Cc1c(Cl)cccc1Cl 2328904650 FIIDWZFKYYIXSU-UHFFFAOYSA-N 449.407 6.165 30 10 IKEE C=C(C)CSc1nnc(CCc2cccs2)n1N=Cc1ccc(OCC)c(OC)c1 2329662112 LBPJAAIVYASNKM-UHFFFAOYSA-N 442.610 5.083 30 10 IKEE CCCCCCCCNC(=O)CCC(C)=CCc1c(OC)c(C)c2c(c1OC)C(=O)OC2 2330275957 GYQQCKYECKGWHY-UHFFFAOYSA-N 445.600 5.428 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(CC2CCCCC2)n1N=Cc1cccnc1 2330310275 XDLOWIRXDBIXFW-UHFFFAOYSA-N 443.979 5.763 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(CC)cc3)cc2OC)cc1 2330769981 MZBJBLCEVCLJRF-UHFFFAOYSA-N 430.500 5.772 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccc(F)cc1 2330822006 ZEMUDJUJKACWSY-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(C3CCCC3)n2N=Cc2sccc2C)o1 2331066324 ZCYQURYKWDCSRI-UHFFFAOYSA-N 444.582 5.250 30 10 IKEE COc1ccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2C2CCCC2)cc1O 2331077621 KGBFKFQCCMAIHK-UHFFFAOYSA-N 436.581 5.441 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)c1sccc1C 2331138086 MBASOUHRQPRIRO-UHFFFAOYSA-N 447.339 6.487 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)c1ccccc1OC 2331231474 KSQLOHDPVZFXPT-UHFFFAOYSA-N 430.500 5.826 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccccc3C)nnc2C(C)(C)C)cc1OC 2331371981 YBJIHURFVAHBIG-UHFFFAOYSA-N 438.597 5.466 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)c1ccccc1 2331554739 IPOOVKOATARULC-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE CC(C)[C@@H](Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)[C@H](C)NC(=O)OC(C)(C)C 2339580915 HDJFFCJJVHBGAZ-JJMHFJPWSA-N 446.397 5.043 30 10 IKEE CC1(C)OB(/C=C/c2ccc(NC3[C@H]4CC[C@H]3CN(Cc3ccccc3)C4)nc2)OC1(C)C 2365049762 DEESULHLBKUNEM-PNVKXUSSSA-N 445.416 5.049 30 10 IKEE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)CN1c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2365058836 HFTCOLGGJPMVFQ-PPXNOBOXSA-N 447.432 5.073 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccnc2)cc1 9861076 CFHUCWZHPCKDJB-QFIPXVFZSA-N 432.907 5.641 30 10 IKEE CC(C)Oc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(Cl)c2Cl)cc1 21237016 VUTIQZFRWNJFIV-QAPCUYQASA-N 444.358 5.785 30 10 IKEE COc1cccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(C(C)(C)C)cc2)C3)c1OC 21251333 MOHWLUOJNXNJRR-XLIONFOSSA-N 433.548 5.006 30 10 IKEE COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc3ccccc23)c1 21255640 UXOZTIICNQGBSD-DFXYEROKSA-N 446.550 6.828 30 10 IKEE Cc1ccc(-c2ccc(CCC(=O)N3CCC[C@H](C)C3)n2-c2ccc(CC#N)cc2)c(C)c1 23428789 GQJFOHAWFTVEQG-QFIPXVFZSA-N 439.603 6.018 30 10 IKEE Cc1ccc(-c2cc(/C=C\c3ccc(C(=O)O)cc3)c(C#N)c3nc4ccccc4n23)cc1C 33502845 OZKQIXBIGIKXMP-UVTDQMKNSA-N 443.506 6.512 30 10 IKEE COc1cccc(-n2c(-c3ccccc3)cc(/C(C)=N\OCc3ccccc3OC)c2C)c1 35843376 JBYAAEMNKXFSEL-BRPDVVIDSA-N 440.543 6.411 30 10 IKEE CC(C)(C)c1ccc(OCC(=O)N(CCC#N)Cc2ccccc2)c(Br)c1 36563572 RZRBWPHBFQPGMV-UHFFFAOYSA-N 429.358 5.068 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCc4ccc([N+](=O)[O-])cc4)cc(C)c3C2=O)c1OC 41501697 LIRBPCIFTQQZCO-UUYOSTAYSA-N 447.443 5.116 30 10 IKEE COc1ccccc1CN1COc2c(cc3c(c2C)O/C(=C\c2cccc(F)c2)C3=O)C1 41587700 SXGXDKGJCWVPBO-KSEXSDGBSA-N 431.463 5.111 30 10 IKEE COc1ccc(-c2nc(SC)nc(Nc3cc(Cl)ccc3C)c2C#N)cc1OC 62039750 OSNQUPFWFKJOHY-UHFFFAOYSA-N 426.929 5.460 30 10 IKEE C=C(C)[C@H](O)CC[C@](C)(O)[C@H]1CC[C@@]2(C)[C@@H]1CC[C@H]1[C@H]2CC[C@H]2C(C)(C)C(=O)CC[C@]12C 87493077 SCSPVSFAVCLWPP-ZHOZLNBLSA-N 444.700 6.319 30 10 IKEE CCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)OC[C@@H]3CCCO3)cc2)cc1 100297777 IVXVCYRUBWFUIA-DEOSSOPVSA-N 440.536 5.591 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S/C1=N/c1cccnc1 101124981 MVCUHHLIOUIPFW-ATAQLJSPSA-N 432.461 5.040 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(Nc2ccc(C)cc2)c1N 101531632 PSSASSBPZZJORT-UHFFFAOYSA-N 439.692 8.004 30 10 IKEE Cc1cc(C)c2nc(N3C(=O)C(=O)/C(=C(\O)c4ccco4)[C@@H]3c3cccc(F)c3)sc2c1 103111811 VFYCESCPIZMDQX-HUZQBFDWSA-N 448.475 5.272 30 10 IKEE CCOc1cc([C@H]2NC(=S)N(CC)C3=C2C(=O)CCC3)cc(Cl)c1OCC(C)C 169933085 FTIINGQRYXWYIG-HXUWFJFHSA-N 437.005 5.032 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1c1ccc(C)cc1 169944480 UKNNUJMOAZYXJZ-DEOSSOPVSA-N 438.483 5.268 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccc(O)cc2)cc1 169960188 AFOWPRYARNKMIX-DEOSSOPVSA-N 443.499 5.191 30 10 IKEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccs2)cc1 169982164 USSVIWVXSLBIBI-QFIPXVFZSA-N 444.512 5.343 30 10 IKEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2cccs2)cc1 169982174 BDXMOMDAAUAJQV-FQEVSTJZSA-N 438.936 5.250 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3O)[C@H]2c2cccs2)cc1 169987324 KQCKRVZITCBNTL-FQEVSTJZSA-N 439.920 5.452 30 10 IKEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4cccc(Cl)c4)[C@H]3c3ccccc3)nc2c1 170055997 ABBDHBKFIHDZOG-OAQYLSRUSA-N 443.890 5.308 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccc(F)cc2)cc1C 170062291 QWGYFMHZCSHIJS-XMMPIXPASA-N 440.474 5.707 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2sccc2C)cc1 170105020 LEZPLRCYDZYGRR-NRFANRHFSA-N 433.529 5.410 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2cccs2)c1 170155285 VKZWPCJVEPQJTM-NRFANRHFSA-N 437.492 5.457 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2cccs2)cc1 170157796 DJHWTYZDXDCYMD-HSZRJFAPSA-N 441.508 5.693 30 10 IKEE CC(C)c1ccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170169381 ITYNTZILEUOLKK-UHFFFAOYSA-N 441.918 5.732 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccccn2)cc1C 170172902 UKFMASPUFOGDEM-XMMPIXPASA-N 442.515 5.188 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@@H]1c1ccccn1 170175340 WQMHLDQMJPDBJE-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@H]1c1ccc(OCCC)cc1 170215514 KAHVVJBELNBBMY-JOCHJYFZSA-N 441.499 5.002 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccccc1 170228833 LWVXTGYFEJIPOM-DEOSSOPVSA-N 427.500 5.565 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2OC)[C@@H]1c1ccc(C(C)C)cc1 170245211 YFBARITUMBHVSU-QHCPKHFHSA-N 437.536 5.206 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@@H]1c1ccco1)c1cccc([N+](=O)[O-])c1 170287268 STWBYLGEUMKDCC-JOCHJYFZSA-N 440.411 5.124 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1Cc1cccs1 170312442 FGOTUYTUAKWFMQ-IBGZPJMESA-N 434.542 5.378 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1sccc1C 170315651 MADGZNSNLMQHPQ-HXUWFJFHSA-N 437.492 5.296 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(OCC(C)C)cc2)c1 170349825 WBQPPOWLVHVVPK-VWLOTQADSA-N 441.527 5.813 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)c(F)c2)c1 170364474 DZLISVQNCCMDQQ-QFIPXVFZSA-N 435.426 5.146 30 10 IKEE CC(C)c1ccc2nc(N3C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]3c3cccs3)sc2c1 170477698 VQAJWCHKTKNFRH-SFHVURJKSA-N 440.590 5.996 30 10 IKEE FC(F)(F)c1nc(N=Cc2ccc(Cl)cc2Cl)sc1-c1ccc(Cl)cc1 254310696 FMVGYZGCOGZHPZ-UHFFFAOYSA-N 435.685 7.540 30 10 IKEE COC(=O)c1ccc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)cc1 254498121 LFLBGIVGVULLMZ-JUQJSGDGSA-N 428.513 5.277 30 10 IKEE C(=Nc1ccc(Oc2ccc(Oc3ccc(N=Cc4ccco4)cc3)cc2)cc1)c1ccco1 254763698 YROUPKMRUVUYTL-UHFFFAOYSA-N 448.478 7.958 30 10 IKEE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2cccc(C#N)c2)[C@@H]1c1sccc1C 526523385 WENRPPYZKMZCLU-NRFANRHFSA-N 446.528 5.393 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1c(C)n(CC)c2ccccc12 526818949 IIRMLDHDNCVNEY-YUMHPJSZSA-N 445.636 6.305 30 10 IKEE C[C@H]1CCc2c(sc(NC(=O)C[S@@](=O)C(c3ccccc3)c3ccccc3)c2C#N)C1 526893940 PWXKFSWLHOLROC-NMEJYPJZSA-N 448.613 5.221 30 10 IKEE N#Cc1ccc(CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 586241841 USGZFPMERURVEH-UHFFFAOYSA-N 435.307 5.400 30 10 IKEE CCC[C@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)CC1 698483047 SSXNTBXGVKTVEE-JTSKRJEESA-N 435.406 6.833 30 10 IKEE CCCCCCCC[C@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 705437117 IQHWDEYIUFRPRL-VJTSUQJLSA-N 448.692 6.604 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCC[C@H](NC(=O)OC(C)(C)C)C2)cc1 724025242 DZYVKMYNHXIZNB-BXKMTCNYSA-N 445.560 5.166 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 724030900 FJBWGDJLSMBTKE-UUOWRZLLSA-N 435.609 5.676 30 10 IKEE c1ccc(CN(Cc2ccccc2)C2(C/N=C3/N[C@@H](C4CCCC4)CCS3)COC2)cc1 725100932 RKTZZAAZBQDVPF-RUZDIDTESA-N 449.664 5.099 30 10 IKEE C[C@H](Oc1ccc(/C=C2\SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc1)C(=O)O 1084649721 XDMKMXGMKYAWSP-XLGZNSDKSA-N 444.512 5.347 30 10 IKEE C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)/C(=N\O)CC[C@@]34C)[C@@H]12 1614467719 IBHLVHLIYYDTRV-UJXYPSQQSA-N 439.728 8.494 30 10 IKEE O=C1N=C(NN=Cc2ccccc2)S/C1=C/c1ccc(-c2nc3ccccc3s2)o1 1772724800 RNOMBIHZBHHJMD-DTOOKEJNSA-N 430.514 5.150 30 10 IKEE COc1cccc(/C=C2/SC(=Nc3cccc(C)n3)N(C3CCCCC3)C2=O)c1OC 1772736756 MQBGZJYXHYUCAK-VDCIBEPTSA-N 437.565 5.344 30 10 IKEE O=C1/C(=C\c2ccco2)SC(=Nc2nc(-c3ccccc3)cs2)N1C1CCCCC1 1772740139 YOOWHYVBFVAEBC-SKYIDQJDSA-N 435.574 6.340 30 10 IKEE C=CCN(CC=C)c1cc(-c2cc3cnccc3c(N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)n2)ccn1 1857831144 VGDCIMUIJKZJKA-UKDJSQQHSA-N 439.607 6.107 30 10 IKEE C=CCOC(=O)c1sc(NC(=O)c2cc(C(C)C)nc3ccc(Cl)cc23)nc1C 1859644723 VGOVHIDXSFQYDJ-UHFFFAOYSA-N 429.929 5.372 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)CCc2ccc(C(C)C)cc2)nc2c(C)cccc12 1859656917 IRDLULSCTMQMST-UHFFFAOYSA-N 437.547 5.604 30 10 IKEE N#Cc1c(N2CCC3(C=Cc4ccc(OCc5ccccc5)cc4O3)CC2)ncc2c1CCC2 1859824569 MAULTPCBSXASOZ-UHFFFAOYSA-N 449.554 5.466 30 10 IKEE CCCOc1ccc(/C=C/C(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OCC 1860728652 IDLQNTMOAYOOBA-MHWRWJLKSA-N 445.515 5.887 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cccc(Cl)c1 1861041940 ZPCYMWSNYMIFSY-JOCHJYFZSA-N 432.967 5.297 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)/C=C/c1ccc(C(=O)OC)cc1 1861763493 KTCQCLIUGVXITG-BBIZSYTBSA-N 444.616 5.028 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)c1ccc(-n2cccc2)cc1 1861773326 DFAZHOROVWHXFT-VWLOTQADSA-N 439.644 6.023 30 10 IKEE N#Cc1cccc(NC(=O)c2cc(CCc3ccccc3)n(-c3cccc4ccccc34)n2)c1 1862326376 QEIMLWSSDODJII-UHFFFAOYSA-N 442.522 5.935 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2c(Cl)cccc2Cl)cc1C 1862406622 UHJWIKKYDRBVKI-IBGZPJMESA-N 434.319 5.297 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(O)c1 1862444186 XMVQNMXGJYYDSL-IVZQSRNASA-N 433.891 5.385 30 10 IKEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc(F)c2)cc1 1862473327 AHCAQWGLZLEREA-BXKMTCNYSA-N 445.490 5.482 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccccc2Cl)cc1 1862476054 AIUQAWVXXSRPJZ-HSZRJFAPSA-N 449.909 5.609 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862477406 LUAWJMKALZIGFJ-DEOSSOPVSA-N 440.474 5.394 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCc2cccs2)cc1 1862489540 XHWRSKGQOGVKIH-DEOSSOPVSA-N 445.584 5.748 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccccc2F)ccc1F 1862502154 SJYCRFMMUDMFCD-HJPURHCSSA-N 433.454 5.613 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(C)cc1 1862508360 ZSHDJDRYAMHKME-DEOSSOPVSA-N 437.555 6.381 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(N(C)C)cc2)cc1 1862532360 BSRAYNLESWJVIF-RUZDIDTESA-N 446.591 5.616 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862585516 YFYSTHNSJZYADV-FQEVSTJZSA-N 446.374 6.278 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2ccc(C)cc2)cc1 1862589187 GKPOLMKEFXVEIK-IQGLISFBSA-N 441.527 5.603 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(Cl)cc1 1862591988 SNYJOLWGKYJQMQ-MMACOIQUSA-N 425.912 5.203 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccccc1C(=O)O 1862665091 YWFXSDUHDKXJNT-QFIPXVFZSA-N 435.520 5.277 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(OCC)cc1 1862666174 XLEDJWYNZSRBNU-DEOSSOPVSA-N 435.564 5.977 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cc(C)ccc2C)c1 1862674017 RGNKCLQALXCXHS-XMMPIXPASA-N 445.490 5.230 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1cccc(O)c1 1862699179 RIQWFKANRDMOHO-QHCPKHFHSA-N 437.536 5.340 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccc1 1862713280 LLAVXUYGSCBSGJ-AZGAKELHSA-N 441.571 6.777 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccc(C)c(Cl)c3)C(=O)N(c3ccccc3C#N)C2=O)c1 1863036907 LNIWWAZRGOWHQQ-UHFFFAOYSA-N 441.918 5.534 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 1866029615 VYYJPMIVRGZFDF-SANMLTNESA-N 441.744 9.004 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1n[nH]c(Cc2ccccc2)n1 1866032610 QNUUPFLKVZOHDH-UHFFFAOYSA-N 440.676 7.596 30 10 IKEE Cc1ccc([C@@H](C(=O)N[C@@H](C(=O)Nc2cccc(C#N)c2)c2ccccc2)C(C)C)cc1 1866960243 NJOBUDVDNMRLQK-LOSJGSFVSA-N 425.532 5.103 30 10 IKEE C[C@@H]1COCCN1c1cc(Nc2cccc(C#N)c2)nc(-c2ccc(C(C)(C)C)cc2)n1 1868537622 CRDICKLOCSLFNJ-GOSISDBHSA-N 427.552 5.281 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3ccccc3[C@H]2c2cccc(F)c2)nc(C(C)C)n1 1869088795 NBXFSAWNUOJOHH-HHHXNRCGSA-N 442.582 6.070 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N(CC)CCCC)nn1-c1ccc(Cl)cc1 1869986375 WQYHZGICAGHFGF-UHFFFAOYSA-N 434.028 6.236 30 10 IKEE C=CCn1cc(OCC(=O)Nc2cc(C)cc(C)c2)c(=O)cc1CSc1ccc(C)cc1 1870202876 DZLVZXZQTUEDDD-UHFFFAOYSA-N 448.588 5.269 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2C)c(CNc2ccc(F)cc2)cc1=O 1870835715 FXTWQXHWFUHHBT-UHFFFAOYSA-N 436.571 6.305 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1[N+](=O)[O-] 1871374806 DCHWHZOKRBSWDI-UPFJJGCZSA-N 427.412 5.295 30 10 IKEE Cc1cc(O)c(CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c2c1C(=O)/C(=C/c1ccccc1F)O2 1871394316 PVNMQVVEWGBVIN-NRFTXVPVSA-N 435.539 5.857 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccccc1F)C2=O 1871424838 XNLMLWDADQQIOS-QRVIBDJDSA-N 445.490 5.639 30 10 IKEE CCc1ccc(NC(=O)[C@@H](CC)Oc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871425573 MQBBMBUFSGGXQB-UELZEPHDSA-N 445.490 5.800 30 10 IKEE Cc1cc(OCc2nc(O)c3ccccc3n2)cc2c1C(=O)/C(=C/c1ccc(Cl)cc1)O2 1871431114 VBSDRCKEXZDBKN-NHDPSOOVSA-N 444.874 5.492 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OCC(=O)Nc3ccc(F)c(F)c3)cc(C)c2C1=O 1871442695 DLZVGJLGFKJXPG-GRSHGNNSSA-N 441.455 5.277 30 10 IKEE C=CCN(CC=C)c1nc(=NCCCCCCCC)[nH]c(=Nc2ccccc2C(C)C)[nH]1 1871495751 OGAINWGDXLCTJL-UHFFFAOYSA-N 436.648 5.533 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(OC)cc2)[nH]c(N2CCCCC2)n1 1871563187 MJTAHGJFYUFFGE-UHFFFAOYSA-N 440.636 5.589 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(CC)cc1)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872105531 CRPODKJCSXSFDB-HYBUGGRVSA-N 442.625 5.178 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccccc1C(C)C)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872460060 BMLNWIDAYKYLNO-GBXCKJPGSA-N 442.625 5.349 30 10 IKEE CC(C)c1ccc(O[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 1872759937 CZZMQXJKICVPGR-HOYKHHGWSA-N 444.600 6.456 30 10 IKEE COc1cccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(Br)cc3)n2)c1 1872761857 XGNPQSZJMPFPNU-QGZVFWFLSA-N 427.323 5.000 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)CC3CCCCC3)n2)cc1OCCC 1872766741 KEXHIZKOYSZNSR-HXUWFJFHSA-N 440.609 6.534 30 10 IKEE Cc1cccc(C)c1OCCCC(=O)[C@@H](C#N)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872773780 YEEAMCVEBWZAPJ-LJQANCHMSA-N 448.544 5.234 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc(COc2ccc(Br)cc2)cc1 1872860805 GMWYREATRCDIDL-UHFFFAOYSA-N 446.429 6.899 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC2CCCCCC2)=C(c2ccccc2C)C1=O 1873102801 IOHKASWUWAIHGL-UHFFFAOYSA-N 438.656 6.528 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2)C(=O)N(Cc2ccc(C)cc2)C1=O 1873159354 QBZKKUARVWLNJA-UHFFFAOYSA-N 432.608 6.005 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C(C)C)c(C)c2)=C(c2cccnc2)C1=O 1873269544 VWYADXDOCKVIHY-UHFFFAOYSA-N 433.596 6.066 30 10 IKEE C=CCn1c(C(=O)Nc2cc(C)cc(C)c2)cc2c(NCc3ccccc3C)ncnc21 1873618857 LIRJQCFVBQFFON-UHFFFAOYSA-N 425.536 5.407 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)n2CC 1873656211 SWTUYABPPKQYCI-UHFFFAOYSA-N 445.611 6.129 30 10 IKEE CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1cn(C)c2ccccc12 1874215932 ZDZCFRFSBLBLCU-BHGWPJFGSA-N 439.972 5.223 30 10 IKEE CCCCC1CCC(c2nnc(SCC)n2/N=C/c2cccc(OC)c2OCC)CC1 1874284950 HSBMLEUGNIYCCB-KOEQRZSOSA-N 444.645 6.144 30 10 IKEE C=CCSc1nnc(CCc2ccc(OC)cc2)n1/N=C/c1ccc(Cl)cc1Cl 1874307195 KDHJRVZRVBFAJX-ZVHZXABRSA-N 447.391 5.539 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccc(F)cc2)cc1C 1874320525 WAOSBCLXORNGMB-JFLMPSFJSA-N 446.551 5.788 30 10 IKEE CCCSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1c(F)cccc1Cl 1874331455 OCGDIJGTPGLONS-AFUMVMLFSA-N 430.980 5.857 30 10 IKEE CCCSc1nnc(Cc2ccc(OC)cc2)n1/N=C/c1ccc(Br)cc1 1874352090 QXSAHPBVUVVFGT-HYARGMPZSA-N 445.386 5.024 30 10 IKEE COc1cccc(/C=N/n2c(Cc3ccccc3F)nnc2SCc2cccc(C)c2)c1 1874373905 XYCACSPSXWCGBU-JVWAILMASA-N 446.551 5.500 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc(O)cc1 1874399859 DMUJMJIRIZADNL-CIRUFVMISA-N 448.979 5.963 30 10 IKEE Clc1ccccc1/C=N/n1c(CCc2ccccc2)nnc1SCc1ccccc1 1874403296 YLWVABSBTAFXFM-YZSQISJMSA-N 432.980 5.891 30 10 IKEE Cc1cccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccc(Cl)cc2)c1 1874408769 OVUFDGZFHKCPHP-WGOQTCKBSA-N 439.028 6.537 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1c(F)cccc1Cl 1874476034 FMBICKQRODAMKX-DHRITJCHSA-N 430.980 6.205 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C2CCC2)cc1 1874496666 XZYHQMUMWGJHEK-FOKLQQMPSA-N 433.364 5.733 30 10 IKEE O=[N+]([O-])c1ccccc1/C=N/n1c(SCc2cccc(Cl)c2)nnc1C1CCC1 1874497767 ZDRSSGZPLHRSMP-WSDLNYQXSA-N 427.917 5.282 30 10 IKEE CCCc1nnc(SCC)n1/N=C/c1ccc(OCc2ccc(C)cc2)c(OCC)c1 1874507004 HCRJZRLTWKEPLF-PCLIKHOPSA-N 438.597 5.511 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(C(F)(F)F)cc1 1874526271 VBGIFFKECBSCQC-MZJWZYIUSA-N 440.494 6.187 30 10 IKEE CCOc1cc(/C=N/n2c(S)nnc2CC(C)(C)C)ccc1OCc1ccccc1F 1874560390 VPWLKBJFCMTZNP-AFUMVMLFSA-N 442.560 5.154 30 10 IKEE Sc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1cccc(Oc2ccccc2)c1 1874565516 FBODUFDSTRRWOS-ZVHZXABRSA-N 436.924 5.474 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c1OCc1cccc(C)c1 1874571790 GPYWFLGFTYAGDK-OUKQBFOZSA-N 446.974 7.011 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1ccccc1F)c1ccc(Cl)c(Cl)c1 1874579642 ZLKMWOUTGRNHBY-RMKNXTFCSA-N 435.709 7.261 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C/C(=O)c2cc(C)ccc2C)c(C)c1 1874580406 MHWFBABXKGVWTQ-DHZHZOJOSA-N 447.962 6.487 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OCC(=O)N[C@@H](C)c1ccccc1 1874595577 SNUNKCKPFJJKPI-QKAYDNCFSA-N 449.934 5.501 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc1OCc1cccc(F)c1 1874598295 FGVUIGHOYWOMCV-PKNBQFBNSA-N 448.534 6.750 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(OC)c1OCc1cccc(Cl)c1 1874605118 QRSLQOFLZMODNS-NTCAYCPXSA-N 446.974 7.115 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OCc3ccccc3C)c(OC)c2)cc1C 1874607126 DCJJEQBCHOEZGG-PKNBQFBNSA-N 436.935 6.449 30 10 IKEE C=CCOc1c(Br)cc(/C=C/C(=O)c2ccc(F)cc2)cc1Br 1874625096 LQCFRCWPKPTGKI-FPYGCLRLSA-N 440.106 5.812 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1)Nc1ccccc1 1874627452 UDUOSMDZNTXYQF-DEDYPNTBSA-N 449.506 6.393 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1ccccc1 1875097897 IVNUVKKTLGCBQR-FOWTUZBSSA-N 426.512 6.079 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(CCCC)cc2)cc(OC)c1OC(=O)C1CCCC1 1875107696 DUVYSCJRELANSY-OBGWFSINSA-N 446.587 6.758 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1Br 1875125811 BXHQSXLKMJPVHN-NTUHNPAUSA-N 449.772 6.874 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)c1ccccc1C 1875126200 UQIAOXDERSKRAH-MDWZMJQESA-N 436.891 5.781 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc4ccccc4n3C)cc2)cc1 1875129608 LAFCPQSKIXPZOS-LICLKQGHSA-N 425.484 5.692 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)c1cccc(Cl)c1 1875132506 VICZQKVWCTYRTC-DHZHZOJOSA-N 441.310 6.426 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)c1cccc2ccccc12 1875134449 SPEZPJHHAKCXAF-NTCAYCPXSA-N 436.507 6.581 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)[C@@H]1C[C@H]1c1ccccc1Cl 1875136323 JIKLVTDFFZTCFZ-WMNQZJELSA-N 446.930 6.262 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)COc1c(C)ccc(C)c1C 1875136335 JSHVIJQQSNLVBK-GXDHUFHOSA-N 444.527 5.809 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc(C)cc(C)c3)c(Cl)c2)cc1 1875137693 ZSQRPMPFSJAMME-VZUCSPMQSA-N 448.946 6.861 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc([N+](=O)[O-])c1OC(=O)C(C)(C)C 1875142184 OKRNKBRLDNHWSS-JXMROGBWSA-N 429.444 5.289 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)[C@H]1CCCO1 1875155859 DBNJGWNLWCLBPW-VWMRQFFHSA-N 428.912 5.453 30 10 IKEE O=C(COc1cc(Cl)ccc1Cl)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1 1875157638 HTXYILNIVFEUOR-KGVSQERTSA-N 445.273 6.013 30 10 IKEE CCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2cc(OC)c(Cl)cc2OC)cc1OC 1875172553 ALXXWHSCIGRRDO-VOTSOKGWSA-N 439.291 5.231 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2OC)cc(Cl)c1OC(=O)C1CCC1 1875176988 VVXQQCIBYPJKJK-DHZHZOJOSA-N 444.911 5.358 30 10 IKEE CC#CC[C@@H](NCCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875661455 OBYSQLGPZRWXFP-UHSQPCAPSA-N 443.587 5.660 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(F)cc1Br 1898088942 QZCHIVCCYOCNEO-MSOLQXFVSA-N 429.374 5.488 30 10 IKEE CC1(C)CN(C(=O)OC(C)(C)C)C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C1 1922773357 GCRBLVODWYAPOJ-DEOSSOPVSA-N 435.609 5.486 30 10 IKEE C=C([C@@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC)[Si](C)(C)C 1923016705 UEUOKWJGZCKBBF-FCHUYYIVSA-N 434.697 5.288 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@H]2CCCCN2C(=O)OC(C)(C)C)c1 1944734955 DLAZFVJIOCVMCJ-PMACEKPBSA-N 429.561 5.418 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@@]1(C#N)CN(Cc2ccccc2)C(C)(C)C1 1949247174 NLVMLARNTMBROL-VWLOTQADSA-N 439.987 6.028 30 10 IKEE CC(C)(C)OC(=O)NC(C)(C)[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1991735339 FKPYHJYBFBQJHK-JOCHJYFZSA-N 437.968 5.667 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC1CC2(C1)CN(C(=O)OC(C)(C)C)C2)NCCC 2001190473 KPXRGCBKZYYMKK-QHCPKHFHSA-N 428.617 5.165 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)[C@H]1C(C)(C)C 2020139341 LMVBPBPBWYCRSW-UZUQRXQVSA-N 449.617 5.413 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 2037323437 YXRIAKYIACQQHV-VWLOTQADSA-N 447.620 5.630 30 10 IKEE N#CCCn1cc(C=CC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c2ccccc21 2040440066 VLEYJOXJXIIDKX-FQEVSTJZSA-N 440.572 5.584 30 10 IKEE CC[C@]1(Nc2cc(Br)cc(C#N)c2)CCCN(C(=O)OCc2ccccc2)C1 2043971955 SGJDEQXKMSXOJC-QFIPXVFZSA-N 442.357 5.314 30 10 IKEE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1C#N 2054197701 UCGRVJPDVNJUPV-CCDWMCETSA-N 433.596 5.489 30 10 IKEE CC(C)c1nn([C@H](c2ccc(C3CCC3)cc2)C2(C)CC2)c(Br)c1C=NO 2079929708 YTIYXVUJKRZJPD-HXUWFJFHSA-N 430.390 6.234 30 10 IKEE ON=Cc1c(C(F)(F)F)nn([C@@H](c2ccc(C(F)(F)F)cc2)C2CCC2)c1Cl 2079935091 VUBKDOCTJIWWEE-CYBMUJFWSA-N 425.760 5.772 30 10 IKEE CC[C@](C#N)(CCC(F)(F)F)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2087990806 FHPRJNUJHBZEOA-QGZVFWFLSA-N 435.284 6.205 30 10 IKEE CN(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@H]1N(C)c1cc(Br)cc(F)c1C#N 2203605763 GXXAISTZOSTDEC-IAGOWNOFSA-N 440.357 5.074 30 10 IKEE CCc1ccc(NC(=O)OC(C)(C)C)c([C@H](N)C#Cc2ccccc2Br)c1 2235748542 AHHARWBHENADHD-LJQANCHMSA-N 429.358 5.410 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCC)c2ccc(Br)cc2CC)C1 2237538381 ACXAEEHWBFCMBM-LJQANCHMSA-N 437.422 5.523 30 10 IKEE C=C[C@@H](C)Oc1cccc([Sn](CCCC)(CCCC)CCCC)n1 2241721431 IRSQFCJMUAZRGK-XWCOYVICSA-N 438.244 6.091 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](C2CC(C#N)(N(C(=O)OC(C)(C)C)C3CCCC3)C2)C1 2246963402 HNYDEQZVEUNMJN-JPEQQQOWSA-N 433.593 5.095 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)[C@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 2249390125 GFHGKEKPOFGCGX-HMOVHFLUSA-N 433.593 5.142 30 10 IKEE C=CCCC1([C@@H](O)c2sc(C)c(Br)c2C)CN(C(=O)OC(C)(C)C)C1 2254923829 FONLVJCFQBEVHU-INIZCTEOSA-N 430.408 5.364 30 10 IKEE CN(C(=O)OC(C)(C)C)c1ccc(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)cc1 2255804246 ARWQOIJATJXBMG-UHFFFAOYSA-N 430.354 5.013 30 10 IKEE CCC#CC[C@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2262618890 IUFPFLJIGDFXGE-SANMLTNESA-N 429.560 5.665 30 10 IKEE CCN1C(=C2SC(=Nc3ccccc3C)N(C3CCCCC3)C2=O)Sc2ccccc21 2295172677 WYXLHZWQWIZYQB-UHFFFAOYSA-N 449.645 6.692 30 10 IKEE Cc1c(NC(=O)OC(C)(C)C)ccc([C@H](N)C#Cc2cccc(Br)c2)c1C 2296282523 XVGCSNHBIOWULD-LJQANCHMSA-N 429.358 5.464 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)CC 2296300380 HIPOVXGZYULYQA-UXPWSPDFSA-N 437.422 5.108 30 10 IKEE COc1ccc(C=CC(=O)C23CC4CC(CC(C4)C2)C3)cc1COc1ccc([N+](=O)[O-])cc1 2297558853 KLRRZGLETBWHLL-UHFFFAOYSA-N 447.531 5.981 30 10 IKEE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2314437521 ONAMQZRPEUGFAU-UHFFFAOYSA-N 448.474 6.198 30 10 IKEE C[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Br)c2)C[C@@H](C)S1 2317628418 AKLVTFMWFCHQSB-HBCWATKFSA-N 425.392 5.757 30 10 IKEE Cc1nn(C)c(C)c1C=Nn1c(C)nnc1SCc1c(Cl)ccc(Cl)c1Cl 2321762071 BYKXQNAZCUMRNP-UHFFFAOYSA-N 443.791 5.072 30 10 IKEE Sc1nnc(Cc2ccccc2)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2321883981 SFHMTRHLPMCJQK-UHFFFAOYSA-N 434.952 5.272 30 10 IKEE Sc1nnc(C2CCC2)n1N=Cc1ccccc1OCc1ccc(Br)cc1 2321901576 OFAPXVVNUKPHLB-UHFFFAOYSA-N 443.370 5.058 30 10 IKEE O=C1C(=Cc2ccc(-c3ccccc3)cc2)Oc2c1ccc1c2CN(Cc2ccccn2)CO1 2321968349 RIBJSODDSBSNJJ-UHFFFAOYSA-N 446.506 5.717 30 10 IKEE CCOc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(C1CCCCCCC1)C3 2322183815 VXORPRNGRJTICP-UHFFFAOYSA-N 447.575 6.275 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1c(F)cccc1Cl)C3=O)CN(C1CCCCCC1)CO2 2322359598 PUJSTZALJXMXLO-UHFFFAOYSA-N 441.930 6.278 30 10 IKEE COc1ccc([C@@H](C)N2COc3c(cc4c(c3C)OC(=Cc3cccs3)C4=O)C2)cc1 2322437177 FBDDOQOKRWKWHK-MRXNPFEDSA-N 433.529 5.594 30 10 IKEE COc1cccc(C=CC(=O)c2cccc(Cl)c2)c1OCC(=O)NC1CCCCC1 2322528103 PADXRBXCHYIHCQ-UHFFFAOYSA-N 427.928 5.072 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OC(=O)COc3ccc(C)cc3)cc(C)c2C1=O 2323201610 QLGWVERCVCTADW-UHFFFAOYSA-N 444.483 5.303 30 10 IKEE O=C1C(=Cc2ccc3c(c2)OCO3)Oc2cc(OC(=O)c3c(F)cccc3Cl)ccc21 2323353695 BFHTZBVHPYRKHX-UHFFFAOYSA-N 438.794 5.043 30 10 IKEE COc1ccc(OC)c(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(C)o2)C3=O)c1 2323496133 DGILWUKGSYAHQX-UHFFFAOYSA-N 446.455 5.149 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 2323627942 SIHHUQYERBFVMI-UHFFFAOYSA-N 449.459 5.096 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3C)c(Br)c2)cc1 2323628559 AJWAPTUVSLNTIN-UHFFFAOYSA-N 437.333 6.241 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)CC1 2323650787 CMXJCOSVQPTXEV-UHFFFAOYSA-N 446.587 7.328 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 2323791138 QUGVBFBZFXKGDR-UHFFFAOYSA-N 444.915 5.172 30 10 IKEE O=C(CCc1cccs1)Oc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1Cl)C2=O 2323972078 LBVHODCOWJVWNQ-UHFFFAOYSA-N 445.323 6.209 30 10 IKEE Cc1ccc(COc2ccc(C=CC(=O)c3ccc4c(c3)OCCO4)cc2[N+](=O)[O-])cc1 2324041739 LJSMUFYSPUDLMT-UHFFFAOYSA-N 431.444 5.150 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1OCc1ccccc1C 2324332065 GWTSIWVPXAZEBM-UHFFFAOYSA-N 448.990 7.366 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)ccc1OCc1ccc(F)cc1 2324665796 CUHQYUQJQZCGNR-UHFFFAOYSA-N 445.317 7.006 30 10 IKEE CCCC[C@H](Oc1ccc2c(c1C)OC(=Cc1cn(CC)c3ccccc13)C2=O)C(=O)O 2324781213 SVUJXJMHQREEFY-QFIPXVFZSA-N 433.504 5.608 30 10 IKEE COc1cccc(CCC(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c(OC)c3)c2)c1 2325703754 CEGGZDATKJKUDL-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE COc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)[C@@H](C)c1ccccc1 2325721643 OVBFJRHEIFCREU-KRWDZBQOSA-N 431.444 5.209 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2cccc(C=CC(=O)c3ccc(C)cc3C)c2)cc1 2325736273 QPNUFLBHZGOECL-UHFFFAOYSA-N 442.555 6.527 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4cc(C)ccc4C)c3C)C2=O)cc1 2325740423 APHFNWGVKNOXLG-UHFFFAOYSA-N 443.499 5.254 30 10 IKEE CCCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1N=Cc1ccco1 2325860172 BSTVCJQKQPESBH-UHFFFAOYSA-N 426.586 5.565 30 10 IKEE CCCSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1c[nH]c2ccccc12 2327386088 LLLXNWOONFYQGR-UHFFFAOYSA-N 433.581 5.675 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccccc3)n2N=Cc2ccncc2)CC1 2328156071 PUOBJWDHGLQDCB-UHFFFAOYSA-N 433.625 6.312 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2ccccn2)c(C)c1 2328897895 IUQVTRSKOWGTJU-UHFFFAOYSA-N 429.549 5.043 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1ccc(Cl)c(Cl)c1 2329420249 OHIOOFMOUZVMKO-UHFFFAOYSA-N 445.419 6.343 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(O)cc1 2329539895 PCAYRYRNBOUYOQ-UHFFFAOYSA-N 434.952 5.787 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3cccs3)n2N=Cc2cccnc2)c1 2329667588 PDCCZSWVRCREIX-UHFFFAOYSA-N 433.606 5.311 30 10 IKEE C=CCSc1nnc(CCc2cccs2)n1N=Cc1ccc(OCCCC)cc1 2329673819 UZHSIQPSVRZFEV-UHFFFAOYSA-N 426.611 5.464 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1cccc(OC)c1 2330641070 IEATYXBHOHTWRH-UHFFFAOYSA-N 447.443 5.117 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(Cl)c1OC(=O)[C@@H]1CCCO1 2330649189 OXDXJWHTIOBIKO-QFIPXVFZSA-N 436.891 5.482 30 10 IKEE COCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1OC 2330676914 RHBSCVYNXIEFQX-UHFFFAOYSA-N 428.912 5.065 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3ccc4c(c3)OCO4)c(Cl)c2)c1 2330781170 VGWSESYOPGXDQG-UHFFFAOYSA-N 436.847 5.193 30 10 IKEE CC(C)(C)Cc1nnc(SCCc2ccccc2)n1N=Cc1ccc(C(C)(C)C)cc1 2330852184 XDZYNCBOMJEUGI-UHFFFAOYSA-N 434.653 6.381 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(C)c3)cc2OC)c1 2330880190 PAVHWBBRWQIHSJ-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE COc1ccccc1C=Nn1c(SCc2cccc3ccccc23)nnc1C1CCCC1 2331084297 RCAXSKHIGBYLOS-UHFFFAOYSA-N 442.588 6.272 30 10 IKEE Cc1ccsc1C=Nn1c(SCc2c(F)cccc2Cl)nnc1C(F)(F)F 2331163354 ZSAWDJYLFJYZIS-UHFFFAOYSA-N 434.871 5.634 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3cccc(C)c3)c(OC)c2)cc1 2331193300 WWLZUEHXDCBRAB-UHFFFAOYSA-N 446.499 5.526 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)CCCOc1ccc(C)cc1 2331293287 SBNVIAJBDKOAMM-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)c1 2331318461 NHKBBNVWHSTVNU-UHFFFAOYSA-N 428.572 6.711 30 10 IKEE CCOc1c(C=Nn2c(SCc3ccccc3C)nnc2C(C)(C)C)cccc1OC 2331366280 IPXQJKBWFNTEBP-UHFFFAOYSA-N 438.597 5.466 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(CC(C)C)nnc2SCc2ccc(C)cc2)cc1 2331421734 MYWYVBZWZFBCNB-UHFFFAOYSA-N 435.641 5.806 30 10 IKEE CCCOc1ccc(C=Nn2c(CC(C)C)nnc2SCc2ccccc2F)cc1 2331454025 NCZPEJZRKSLSGL-UHFFFAOYSA-N 426.561 5.579 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc(Br)c2)cc1)c1ccc(F)c(F)c1 2331554931 RDJGKYPCOFSKIW-UHFFFAOYSA-N 443.243 5.843 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)Cc2ccc(F)cc2)cc1 2331752357 DHQTYTQYPYZOPI-UHFFFAOYSA-N 438.882 5.840 30 10 IKEE O=C(Cc1ccc(Cl)cc1)Oc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1 2331859090 KEGGSERBLNMFIJ-UHFFFAOYSA-N 445.729 6.691 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(C)=O)c(Br)c2)c2ccccc12 2331869043 XLCIFOMZJUCWIP-UHFFFAOYSA-N 425.278 5.432 30 10 IKEE CC(C)[C@H](Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)[C@H](C)NC(=O)OC(C)(C)C 2339578444 HDJFFCJJVHBGAZ-PXNSSMCTSA-N 446.397 5.043 30 10 IKEE CC1(C)OB(c2ccc(CSC3CCC(F)(F)CC3)cc2Br)OC1(C)C 2377317635 QIIWRTHXKPQXDM-UHFFFAOYSA-N 447.194 5.559 30 10 IKEE COc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)S2)cc1 16347916 NFTDSZCSHRANEX-NDENLUEZSA-N 435.461 5.063 30 10 IKEE CCCCCn1c(O)c(/N=N/c2ccccc2C(=O)c2ccccc2)c(C)c(C#N)c1=O 39871572 CXFMZUISFQYUNP-BYYHNAKLSA-N 428.492 5.571 30 10 IKEE C=CCN1C(=O)c2[nH]nc(-c3cc(Cl)ccc3O)c2[C@@H]1c1cccc(OCCCC)c1 39898684 YYFXXCIPYIFBEI-QHCPKHFHSA-N 437.927 5.346 30 10 IKEE C=C(Br)Cn1c(CCCCCNC(=O)C2CCCCC2)nc2ccccc21 40212049 YBVFQHSIYNHCTP-UHFFFAOYSA-N 432.406 5.354 30 10 IKEE Cc1c(OC(=O)c2ccccc2F)ccc2c1O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 41292413 RHETYBAPCMTIAE-HAHDFKILSA-N 430.475 6.267 30 10 IKEE COc1cccc2cc(C(=O)Oc3cc(C)c4c(c3)O/C(=C\c3sccc3C)C4=O)oc12 41354087 JULVCAHFBBQURP-UNOMPAQXSA-N 446.480 5.955 30 10 IKEE O=C(/N=C(/NCc1ccccn1)Nc1cccc(Cl)c1)c1ccc(C(F)(F)F)cc1 46125915 JCYLEOQIPCONKS-UHFFFAOYSA-N 432.833 5.152 30 10 IKEE Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)C(Cl)(Cl)Cl 59240536 QFOZZPFLCLVRFC-ZDUSSCGKSA-N 436.553 6.266 30 10 IKEE CCNc1ccc(Br)cc(C(=O)/C=C\c2ccc(Cl)c(Cl)c2)c1=O 97474810 MRRCQZJWNZPTSZ-YWEYNIOJSA-N 427.125 5.444 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)cc1 100283782 SEMKIECATLRLTL-UHFFFAOYSA-N 436.596 6.160 30 10 IKEE CCCCCCCOc1ccc(C(=O)NCc2ccc(OCCCC)c(OC)c2)cc1 100406171 NTQLEHIDFWDPCZ-UHFFFAOYSA-N 427.585 6.153 30 10 IKEE CCCCCCCCCCCn1c(C)c(C(N)=O)c(-c2ccc(C#N)cc2)c1CCCCC 102448714 SBFUEKSEDFYPGD-UHFFFAOYSA-N 449.683 7.698 30 10 IKEE Cc1ccc2nc(N3C(=O)C(=O)/C(=C(\O)c4cccs4)[C@H]3c3ccccc3)sc2c1 102527628 YLYSEOKMGHQHQR-LAFOYAEKSA-N 432.526 5.293 30 10 IKEE N#Cc1cc(NC(=O)c2ccccc2NC(=O)c2ccsc2)ccc1OCC(F)(F)F 108602321 MQSYJFXMZASTII-UHFFFAOYSA-N 445.422 5.065 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2cccc(C)c2)cc1 169923045 KPZWIBVHCFRGHU-XMMPIXPASA-N 443.499 5.104 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccc3c(c2)OCO3)c1 169967962 HZBJIWFYSKUJMK-DEOSSOPVSA-N 441.483 5.123 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(OC(C)C)cc2)c1 169979268 CHGIXUUMKOASNK-XMMPIXPASA-N 433.548 5.612 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccs1 169984250 UTSQFAOZMGWVDP-NRFANRHFSA-N 449.915 6.239 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(OC)cc2)=C(N2CCc3ccccc32)C1=O 170030528 AUXBMTFTDZTWTB-UHFFFAOYSA-N 432.564 5.198 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2cccc(O)c2)cc1C 170080819 WTVQPYAEYJJOEH-XMMPIXPASA-N 443.499 5.109 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2ccccc2OC(C)C)c1 170151132 BAOJPQWCIIYTKX-HSZRJFAPSA-N 437.536 5.251 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2cccs2)c1 170158256 CICXSYWXIYXKMC-QFIPXVFZSA-N 428.513 5.629 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccn2)cc1C(C)C 170173074 DNLLRBJMADHOLI-XMMPIXPASA-N 442.515 5.305 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1cccnc1)c1cc2ccccc2o1 170188876 XOKKCZSLQAOUMH-NRFANRHFSA-N 430.847 5.264 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccncc2)c1 170202628 YDZXGPWAGZUXIN-VWLOTQADSA-N 438.527 5.360 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2)cc1Cl 170221728 NGPJLAFWUQHVBR-HXUWFJFHSA-N 439.920 5.189 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccccc2)cc1 170224407 ZWCRTZVBXUNKSR-DEOSSOPVSA-N 427.500 5.349 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1ccccc1 170229200 IUPBWIAAGCNZGV-QFIPXVFZSA-N 435.426 5.065 30 10 IKEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3)ccc2O1 170237155 OWZMLQYNNPRBPH-JLCFBVMHSA-N 437.923 5.184 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccc(F)cc2)cc1 170239774 KCLVWEFLCFUSKR-DEOSSOPVSA-N 445.490 5.704 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2)[C@@H]1c1ccc(C(C)C)cc1 170245903 VQASYAAREDMLMA-DEOSSOPVSA-N 435.564 5.977 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccc2C)c(C)c1 170271371 KQAAUMUBQLBDHD-XMMPIXPASA-N 427.500 5.403 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C(C)(C)C)ccc3C)[C@@H]2c2ccco2)cc1 170283402 BITKOZDVPICRRP-DEOSSOPVSA-N 443.543 6.231 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(C)o1 170299611 IJAPMIMXUVZBBM-OAQYLSRUSA-N 435.451 5.135 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(C)o2)cc1 170301374 OTIVAGJWCLNGMZ-JOCHJYFZSA-N 429.428 5.126 30 10 IKEE Cc1nc(COc2ccccc2/C=C\C(=O)Nc2ccccc2SCCC#N)cs1 209930149 KJLXMKIFWXWVRR-QXMHVHEDSA-N 435.574 5.688 30 10 IKEE CCCCCCCC[C@@H](O)c1cc(Br)ccc1I 232934504 OGLNELCSKCTDQP-OAHLLOKOSA-N 425.148 5.838 30 10 IKEE C=C(C)[C@H]1CC[C@]2(C(N)=O)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CCC(=O)C[C@H]5CC[C@@]43C)[C@@H]12 253531388 IIMYCYVBVMITJJ-VQPZRFJJSA-N 425.657 6.062 30 10 IKEE N#Cc1c(N=Cc2cc(Cc3ccccc3)cc([N+](=O)[O-])c2O)sc2c1C1CCN2CC1 254512759 SQJHJTMQFOMTCK-UHFFFAOYSA-N 444.516 5.272 30 10 IKEE O=C1C(=Nc2ccccc2F)c2ccccc2N1CN1CCC(Cc2ccccc2)CC1 254747235 XANBXDZWZISNGF-UHFFFAOYSA-N 427.523 5.205 30 10 IKEE CCn1cc(C(=O)N2CCCSC2=Nc2ccccc2C(C)C)c(=O)c2ccc(C)nc21 254825741 MRJVDFCBVPDBFM-UHFFFAOYSA-N 448.592 5.115 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[C@@H]1Nc1ccc(Br)cc1C#N 312150741 KEQYIIRCMFSSJW-YTQUADARSA-N 434.378 5.301 30 10 IKEE Oc1ccccc1/C=N\n1c(CCc2ccccc2)nnc1SCc1ccccc1F 526803674 GVJWCFZNGVVPSD-QQXSKIMKSA-N 432.524 5.083 30 10 IKEE Fc1ccccc1/C=N\n1c(Cc2ccccc2)nnc1SCc1cccc(Cl)c1 526812946 SAHNBKHTBGWABC-YSMPRRRNSA-N 436.943 5.836 30 10 IKEE Cc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1cc(Cl)c(O)c(Cl)c1 526817749 XREBXMNHKMRUBC-HOEBFWFUSA-N 445.734 5.566 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1ccccc1C(=O)O 526824308 VPPMQMLJNVSUSQ-KSEXSDGBSA-N 449.363 5.410 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1c(C)n(CC)c2ccccc12 526825829 LHHACVBGVKAVGS-YUMHPJSZSA-N 449.599 6.217 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@H](NC(=O)c3cccc(Cl)c3)C2)c1 586003764 COCXPHUAJGCRDN-QFIPXVFZSA-N 439.987 5.212 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@H](C#N)c1ccc(Cl)cc1Br 698452728 CSSKYTAITWUGAK-KRWDZBQOSA-N 427.770 6.237 30 10 IKEE CC1(C)CC(C)(C)CC(C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Br)C1 698458787 URTIIVUUYRRJID-UHFFFAOYSA-N 435.406 6.689 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H](CNC(=O)OC(C)(C)C)C(C)C)cc1 698892760 SYFCSWHRLTXXCN-VQTJNVASSA-N 447.576 5.126 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2[C@@](C)(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 698908354 HQKIKUWECPMTJW-GCUZGZFTSA-N 447.601 5.023 30 10 IKEE CCCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@H]1[C@H]1CCCCN1C(=O)OC(C)(C)C 698971025 XSJSQGKKRSINKD-GLDPYIMESA-N 435.609 5.486 30 10 IKEE 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)c1ccccc1F 710780378 YUDMOTJUSRVTSD-KILLWLNWSA-N 445.535 5.105 30 10 IKEE C#CCOc1ccc(C=Nc2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1OC 1083859517 GDIMIXGTAWYDCW-UHFFFAOYSA-N 444.556 5.650 30 10 IKEE Oc1ccc2ccccc2c1C=Nc1cc(C(F)(F)F)ccc1Oc1cccc(F)c1 1083994058 KDYYPQKFWODTST-UHFFFAOYSA-N 425.381 7.246 30 10 IKEE O=C1/C(=C/C=C/c2ccccc2[N+](=O)[O-])SC(=Nc2ccccn2)N1C1CCCCC1 1772731348 MSOSFKVANABPSF-MCXFOZLXSA-N 434.521 5.483 30 10 IKEE Cc1cccc(N=C2S/C(=C/c3ccc(Cl)cc3Cl)C(=O)N2C2CCCCC2)n1 1772733850 AOBZRLPHSNRYTD-VYIPLNHISA-N 446.403 6.634 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=Nc1cccnc1Cl 1772736759 MQCRMSAOKLFBEV-SCORJZKRSA-N 444.343 6.272 30 10 IKEE O=C1NC(=NN=Cc2ccc(-c3ccccc3)o2)S[C@H]1Cc1cccc(C(F)(F)F)c1 1772742366 OKUUVPSOGQMYAW-IBGZPJMESA-N 443.450 5.130 30 10 IKEE Cc1ccc(NC(=O)Oc2cccc3c(NC(=O)c4cccc(C#N)c4)cccc23)cc1F 1858779802 FDTXSIMWNUYFFS-UHFFFAOYSA-N 439.446 6.022 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1861028945 RKUBSVZHMSZHHG-QFIPXVFZSA-N 439.984 5.404 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2cccc(O)c2)cc1 1862390278 ZKIPQYWLQANWBC-RUZDIDTESA-N 441.527 5.513 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccc(C)cc2)cc1 1862441430 ICDPNDPIJGMBTG-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(N(C)C)cc1 1862446872 CSEIMOJXVHLESH-NRFANRHFSA-N 426.944 5.030 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1C(=O)O 1862447462 QYZDHEYGFSHDIR-FQEVSTJZSA-N 441.911 5.197 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(F)cc2F)cc1 1862477721 POTODEPFSUXBSW-QFIPXVFZSA-N 425.475 5.574 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccc(F)cc2F)cc1 1862477780 RNJHKHXUDCULLJ-HSZRJFAPSA-N 437.486 5.742 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@@H]2c2ccccc2C)c1 1862490378 UMWGHPIXDIHFLU-RUZDIDTESA-N 441.527 5.269 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccccc1F 1862530728 WRTKOAKKDAHARB-HSZRJFAPSA-N 439.527 5.173 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(OCCC)cc1 1862537375 UAKQCNBKJMTBFK-VWLOTQADSA-N 449.591 6.196 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(F)cc1F 1862546022 OANGLGDDUVFHKZ-JOCHJYFZSA-N 425.475 5.078 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C(C)C)cc1 1862621870 AAQGIMVYVYQVBR-HSZRJFAPSA-N 435.564 5.760 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1cccc(OCC)c1 1862640237 MGGLSNPHSZGJBU-QFIPXVFZSA-N 441.499 5.002 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1ccc(C(C)(C)C)cc1 1862644297 HXUGEFTUBLQBNM-OAQYLSRUSA-N 425.500 5.120 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCCN3CCCC3)[C@H]2c2ccccc2)cc1 1862661189 UGQNSHKLDKTUEH-VWLOTQADSA-N 446.591 5.264 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccccc1F 1862661729 GJDMYZQAGBCGHZ-QHCPKHFHSA-N 439.527 5.343 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(F)c2)cc1 1862672988 JKTVRBTZTWSMSX-FYSMJZIKSA-N 447.481 5.867 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C2CCCCCC2)c1 1862676669 OLQKCYKZIUEUMD-QHCPKHFHSA-N 437.511 5.526 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(Cl)cc1Cl 1862722152 WNLZRVTYXKUBKJ-NRFANRHFSA-N 440.326 6.133 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(C(C)(C)C)cc3)C2=O)cc1 1862891735 IFRUHNFHCBXHPQ-UHFFFAOYSA-N 435.527 5.561 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@H](C)CC)=C(c2cc(OC)ccc2OC)C1=O 1863717643 UZPCJXIOJAKNCG-LJQANCHMSA-N 444.616 5.313 30 10 IKEE CCOC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)c1ccc(OCC#N)cc1 1865939747 LNQCQPVERCGUIU-UHFFFAOYSA-N 448.544 5.870 30 10 IKEE COCCc1nc(Nc2ccc(C#N)cc2)cc(N2C[C@@H](C)Cc3c(C)ccc(C)c32)n1 1868266973 FJEGZQHJOCJEJM-KRWDZBQOSA-N 427.552 5.228 30 10 IKEE N#Cc1nnn(-c2cc(Cl)cc(Cl)c2)c1NC(=O)c1ccccc1-c1ccccc1 1870146880 MUWQTSLGQXIGNB-UHFFFAOYSA-N 434.286 5.365 30 10 IKEE C=CCn1cc(OCc2ccccc2)c(=O)cc1CSc1nc2ccccc2n1CCC 1870270230 CPBCUJRVWVQBIE-UHFFFAOYSA-N 445.588 5.665 30 10 IKEE CCCCCCCCn1cc(OCc2c(C)cccc2C)c(=O)cc1CSC(C)(C)C 1870277700 TYSKPCCUESCEKP-UHFFFAOYSA-N 443.697 7.436 30 10 IKEE C=CCOc1cn(Cc2ccco2)c(CN(Cc2ccccc2)Cc2ccccc2)cc1=O 1870385953 TXTNXZLCDVPKNJ-UHFFFAOYSA-N 440.543 5.257 30 10 IKEE C=CCn1cc(OCc2c(Cl)ccc(Cl)c2Cl)c(=O)cc1CN(C)CCCC 1870431529 ZVYPNVMDGLLDIB-UHFFFAOYSA-N 443.802 5.805 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(F)cc2)c(CNc2ccc(C)cc2)cc1=O 1870833230 DNPQJSMSNCHYOT-UHFFFAOYSA-N 436.571 6.305 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)cc2)c(=O)cc1CNc1ccc(C(C)(C)C)cc1 1870861615 LOQSBUYOJBRUFZ-UHFFFAOYSA-N 436.983 6.176 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OC)c(=O)cc1CNc1ccc(C(C)C)cc1 1870872655 QAXBAAFJXAMAOR-UHFFFAOYSA-N 442.600 5.496 30 10 IKEE C#CCOc1cn(CCCCCCCCCC)c(CNc2ccc3cc[nH]c3c2)cc1=O 1871006252 WZOSPXVFMVWQQX-UHFFFAOYSA-N 433.596 6.094 30 10 IKEE CCCCCCCCCCN=c1nc2c(cnn2C)c(Nc2ccc(OCCC)cc2)[nH]1 1871298863 LWOICXUSXBBFOZ-UHFFFAOYSA-N 438.620 5.870 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OC(=O)/C=C/c3ccc(F)cc3)cc(C)c2C1=O 1871365862 HPVYNEZTRYYSMX-FDTILGBMSA-N 430.431 5.378 30 10 IKEE CCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871380038 SUVZXVSMJQVETP-NCEOBYAFSA-N 426.468 5.629 30 10 IKEE Cc1cc(O)c(CN(C2CCCCC2)C2CCCCC2)c2c1C(=O)/C(=C/c1ccccn1)O2 1871393100 NGIDFVAXEKLBIQ-UQQQWYQISA-N 446.591 6.179 30 10 IKEE C[C@H]1C[C@H](C)CN(Cc2c(O)ccc3c2O/C(=C\c2ccc(Br)cc2)C3=O)C1 1871396349 BDWWWIRMYFDNKP-QZNHCPNFSA-N 442.353 5.249 30 10 IKEE Cc1c(OCCc2ccccc2)ccc2c1O/C(=C\c1c(Cl)cccc1Cl)C2=O 1871400345 YJOWJBQHPDUWQQ-HMAPJEAMSA-N 425.311 6.540 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871406608 JBNVGBNIWXLUQD-YOBACFSGSA-N 447.462 5.165 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2sccc2C)C3=O)cc1 1871410559 DRJHKIXDSJUNMM-CPEHUTGBSA-N 447.556 5.950 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)Nc2ccc(C#N)cc2)cc2c1C(=O)/C(=C/c1ccc(F)cc1)O2 1871435985 IRPFGWVTSSIZMQ-GGNAWJQTSA-N 442.446 5.028 30 10 IKEE CCOC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)o1 1871439274 QJHXCMIORNHUFI-CFRMEGHHSA-N 432.472 5.775 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(Cl)cc2)ccc2c1O/C(=C\c1cccc(F)c1)C2=O 1871440762 GPARWPRGBJGOIG-MTJSOVHGSA-N 437.854 5.421 30 10 IKEE Cc1c(OCC(=O)NCc2ccccc2Cl)ccc2c1O/C(=C\c1cccs1)C2=O 1871445686 ICMRVUSESNCTCU-JAIQZWGSSA-N 439.920 5.021 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1ccc(C)cc1 1872302206 DSLVPPCMRNUYGY-JOCHJYFZSA-N 449.016 5.331 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1ccccc1 1872427393 JODVKBDTCYASGA-OAQYLSRUSA-N 434.989 5.023 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC 1872765981 AEGNWCUNUBRKJS-YDMXYTAQSA-N 438.936 5.760 30 10 IKEE Cc1ccccc1OCCCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872769494 SZKQTFIXKDTFHK-INIZCTEOSA-N 445.371 6.461 30 10 IKEE N#C[C@H](C(=O)Cc1cccc2ccccc12)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872787233 FBDVSIJTNMPQKG-LJQANCHMSA-N 437.351 6.689 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCCC)=C(c2ccc(-n3cccc3)cc2)C1=O 1873035228 UUTKKZFRZDCKIU-UHFFFAOYSA-N 435.612 5.698 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2OCCC)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873276589 ORFMLFMUVPAPHN-UHFFFAOYSA-N 438.527 5.520 30 10 IKEE CCCCCCN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873278736 WXLDWIFRCILCFV-UHFFFAOYSA-N 449.554 5.998 30 10 IKEE Cc1cc(C)c(C2=C(Nc3ccccc3C#N)C(=O)N(CCCc3ccccc3)C2=O)c(C)c1 1873333027 JSQFCGNFEPKOFX-UHFFFAOYSA-N 449.554 5.308 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(F)c(Cl)c2)=C(c2cccc(Cl)c2Cl)C1=O 1873341299 CSCXAPSMORLAOX-UHFFFAOYSA-N 425.674 5.164 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(OC)cc2OC)=C(c2ccccc2)C1=O 1873415672 WUESVMDJQVQVQS-UHFFFAOYSA-N 436.552 5.256 30 10 IKEE CC(C)(C)n1ncc(N/N=C/c2cccc(OCc3ccccc3Cl)c2)c(Cl)c1=O 1873526777 WGBLJMCLZFMOSV-BRJLIKDPSA-N 445.350 5.330 30 10 IKEE C=CCn1c(C(=O)Nc2cc(C)cc(C)c2)cc2c(N(CCCC)CCCC)ncnc21 1873662277 JSSCTKJZCWWMRA-UHFFFAOYSA-N 433.600 5.893 30 10 IKEE CCCSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1cccc(OC)c1 1874223949 LLVGKVNDDPZZFK-XIEYBQDHSA-N 438.597 5.245 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1cc(Cl)ccc1O 1874251245 UCGRYZGSFSKRGL-BUVRLJJBSA-N 444.988 5.341 30 10 IKEE C=C(C)CSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1c[nH]c2ccccc12 1874269545 BPROEWGRTFCWIE-LQKURTRISA-N 437.572 6.054 30 10 IKEE CCSc1nnc(CCc2ccc(OC)cc2)n1/N=C/c1c(OC)ccc2ccccc12 1874306810 QGHGMFAJOOGNTL-YZSQISJMSA-N 446.576 5.228 30 10 IKEE CCCOc1ccccc1/C=N/n1c(CCc2ccccc2OC)nnc1SCCC 1874313865 REXHSYSYXLAALI-XIEYBQDHSA-N 438.597 5.245 30 10 IKEE Clc1ccc(CSc2nnc(CCOc3ccccc3)n2/N=C/c2ccncc2)cc1 1874347641 YVDMOHSWSPUROA-WGOQTCKBSA-N 449.967 5.123 30 10 IKEE CN(C)c1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2cccc(F)c2)cc1 1874417600 OHADYQMUMOCKKO-WPWMEQJKSA-N 445.567 5.249 30 10 IKEE Fc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2-c2cccs2)c1 1874424408 JRGYHSUVRUDMOO-FSJBWODESA-N 428.945 5.974 30 10 IKEE FC(F)(F)c1ccc(/C=N/n2c(SCc3ccccc3)nnc2C(F)(F)F)cc1 1874460632 YBWUJRUDOZCUGM-KIBLKLHPSA-N 430.377 5.490 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2sccc2C)c1 1874483947 VYGRDYKIAJWNJF-FSJBWODESA-N 441.626 5.175 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C(C)C)c1 1874515740 NSFPCDUOVYNCFB-ZVHZXABRSA-N 428.989 6.018 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1c(F)cccc1Cl 1874528161 VOVJBPWYGVIPKA-NUGSKGIGSA-N 443.762 6.114 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)cc2)cc1 1874572480 PCUYNOYPICBACJ-GXDHUFHOSA-N 433.935 6.124 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCc2cccc(F)c2)cc1C 1874573867 JDDLDZMURODZME-VQHVLOKHSA-N 440.898 6.280 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(F)cc2F)c1OCc1cccc(C)c1 1874576666 ZMTIBCDUMKMKEJ-RMKNXTFCSA-N 428.862 6.410 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OC)c2OCc2cccc(Cl)c2)c1 1874580814 HQEAPQVNWVOSKS-ZRDIBKRKSA-N 438.907 5.841 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2c(OCc3ccc(C)cc3)ccc3ccccc23)c1 1874581087 WIXYILAUKCGTSS-CCEZHUSRSA-N 438.523 6.641 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1F 1874582191 BCVDSGIPSLMWKV-VMPITWQZSA-N 431.290 6.616 30 10 IKEE O=C(/C=C/c1c(OCc2ccccc2F)ccc2ccccc12)c1ccc2c(c1)OCO2 1874582812 IDWQXHMIEZHWHV-VAWYXSNFSA-N 426.443 6.183 30 10 IKEE O=C(COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(F)cc1)Nc1ccccc1F 1874583680 AJMRSUBYWKXAJK-CCEZHUSRSA-N 443.449 6.032 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(F)cc2)c1OCc1ccccc1Cl 1874583810 HKHOCLGWUQCFRY-DHZHZOJOSA-N 431.290 6.616 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OCCC)c([N+](=O)[O-])c2)cc1 1874624569 JQVUGDSVRTZHKK-OQLLNIDSSA-N 425.525 6.629 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccc(OCc2ccc(F)cc2)cc1 1874628561 KDQVLBQYADAGOY-IZZDOVSWSA-N 431.290 6.616 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)cc1Cl 1874633241 SGUSJSXBAJQOEA-BJMVGYQFSA-N 441.354 7.094 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OCC(=O)Nc2cccc(C)c2)cc1 1874638736 PBBRVMBELAUJCS-XYOKQWHBSA-N 435.907 5.571 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCCOc3ccccc3)c2)cc1C 1874696060 GREJSUZLNDLANQ-FYWRMAATSA-N 430.500 5.664 30 10 IKEE O=C(COc1ccc(Cl)cc1)Oc1cccc(/C=C/C(=O)c2ccc(F)cc2F)c1 1874700063 ZSCJHVOGJKEMOX-NYYWCZLTSA-N 428.818 5.499 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OC(=O)Cc1cc(C)ccc1C 1874703735 FINCZOUVWQASHJ-YRNVUSSQSA-N 432.491 5.804 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(Cl)cc3)c2)cc1F 1874707698 RISPJLRDGWDZGJ-XCVCLJGOSA-N 440.854 5.612 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3Cl)cc2Cl)cc1 1875104925 VFWMKIDHGNMRSW-ONNFQVAWSA-N 445.729 7.071 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccco2)c([N+](=O)[O-])c1)c1ccc(Br)cc1 1875109876 IWXAXONCNOIGJE-YCRREMRBSA-N 442.221 5.066 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc(Cl)c3)cc2)cc1[N+](=O)[O-] 1875123533 RBCAOYYAUYDPFO-YRNVUSSQSA-N 437.835 5.372 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc(OC)c1OC(=O)C(F)(F)F 1875171087 FXAJVPJTVLMBGM-CMDGGOBGSA-N 448.437 5.413 30 10 IKEE CCCN[C@@H](C#CC1(SC)CC1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 1899969751 JXMBJXWJBZLZAM-JOCHJYFZSA-N 430.658 5.471 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1C(C)(C)[C@@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 1907890850 NQEMQBXUSXVBPS-YTZAWJCFSA-N 433.593 5.094 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@H](C#N)[C@H]1CCCCN1C(=O)OC(C)(C)C 1944736825 RBBKJBRCEXZCCU-RTBURBONSA-N 449.979 5.763 30 10 IKEE C[C@@H]1CN(Cc2ccccc2)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 1949313807 MXZVXPJPHRGGNR-QFQXNSOFSA-N 425.617 5.751 30 10 IKEE CCCCCCC[C@@H](C)NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 2025362627 FABHHRPMSUGHFB-LJQANCHMSA-N 443.673 5.523 30 10 IKEE C=CCC1(C(=O)c2c(Br)ccc(Cl)c2F)CN(C(=O)OC(C)(C)C)C1 2037626257 QUWKQGYJQKOVEG-UHFFFAOYSA-N 432.717 5.238 30 10 IKEE CC1CC(=Cc2cccc(Br)c2)C(=O)C(=Cc2cccc(Br)c2)C1 2053525585 KMSIGDDMAIEECU-UHFFFAOYSA-N 446.182 6.678 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@@](C#N)(Nc1ccccc1Br)C2 2155262985 HUVDTIQTCUUDJR-OAQYLSRUSA-N 434.378 5.325 30 10 IKEE CO[C@H]1CC(C)(C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2162039122 ONDYWTSZICUFEQ-UWJYYQICSA-N 437.378 5.678 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CC12CCC(Nc1cc(Br)c(C#N)cc1F)CC2 2162320320 JGNRDZIJPVKLBC-DJMMNXNOSA-N 438.341 5.098 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@H]2Nc1ncc(Br)cc1C#N 2162414736 OHDRGEHIOGPNRJ-QGZVFWFLSA-N 429.318 5.162 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1cc(Br)c(OC)c(OCC)c1 2164105376 RGYKXFJEFGTLRZ-OAQYLSRUSA-N 434.374 5.280 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2cccc(CC#N)c2)ccc1Br 2181055897 NEHSOFWOGDOVBG-UHFFFAOYSA-N 430.302 5.114 30 10 IKEE CC(C)(C)OC(=O)N(CC1CC1)[C@H](C#N)c1cc(C(F)(F)F)ccc1Br 2228088402 KLAVFTURNSYVNH-OAHLLOKOSA-N 433.268 5.680 30 10 IKEE C[C@@H](c1ccc(NC(=O)OC(C)(C)C)cc1)[C@@H](O)C#Cc1ccccc1Br 2235742411 XNGZGBUOZXWAED-YWZLYKJASA-N 430.342 5.312 30 10 IKEE C=CCCCCCCC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237416017 JXJHWIVSGPYKSP-IBGZPJMESA-N 438.406 5.981 30 10 IKEE C[C@H](N(Cc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1)C(C)(C)C 2266975943 ABKNOKDWOGYIIU-SFHVURJKSA-N 439.380 5.202 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Cl)cc([C@@H](O)C#Cc2cccc(Br)c2)c1 2278737959 QFQNQOFZPBKMEO-SFHVURJKSA-N 436.733 5.535 30 10 IKEE CC(C)(C)OC(=O)N1CCc2sccc2[C@H]1CNc1c(Br)cccc1C#N 2285185935 JHTOELPWWSEFQZ-MRXNPFEDSA-N 448.386 5.329 30 10 IKEE CCCCCCCN1C(=O)C(=C2SC(=S)N(CCCCCC)C2=O)c2ccccc21 2296700212 MDPWMEYXVSTYLH-UHFFFAOYSA-N 444.666 6.155 30 10 IKEE CC(C)[C@@H]1CC(CCN=Cc2ccc(N(C)C)cc2)(c2ccc(F)cc2)C[C@@H](C(C)C)O1 2297590554 WDVYMEQCQYFSKG-SVBPBHIXSA-N 438.631 6.498 30 10 IKEE O=C(C=CC=Cc1ccccc1)C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21 2297604995 IHJRFJPQJFYAPL-HHHXNRCGSA-N 443.930 5.303 30 10 IKEE CCCOc1ccc(C=NNc2oc([C@@H]3C[C@H]3c3ccccc3)nc2C#N)cc1OCC 2320836912 DVHDFXMCQVEHIX-VQTJNVASSA-N 430.508 5.451 30 10 IKEE CCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1N=Cc1ccc(C(C)(C)C)cc1 2320991448 ZPGSFZZEEBUISD-UHFFFAOYSA-N 449.624 5.368 30 10 IKEE CCCCCCN1COc2ccc3c(c2C1)OC(=Cc1ccc(-c2ccccc2)cc1)C3=O 2322083088 ZDMHWIOCLGKLKN-UHFFFAOYSA-N 439.555 6.702 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1c(F)cccc1Cl)O3)CN([C@H](C)c1ccccc1)CO2 2322092611 ZONXWVSPCVEORY-MRXNPFEDSA-N 449.909 6.317 30 10 IKEE COc1cccc(C=CC(=O)c2ccccc2Cl)c1OCc1nc(O)c2ccccc2n1 2322437086 GZZJGUXLMHGTNJ-UHFFFAOYSA-N 446.890 5.473 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccccc2)c1OCC(=O)Nc1c(C)cccc1C 2322545765 MUHNJWVVKKNUOX-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCc1ccccc1NC(=O)COc1ccccc1C=CC(=O)c1cccc2ccccc12 2322714768 NOXQJWGMVGYGAV-UHFFFAOYSA-N 435.523 6.316 30 10 IKEE Cc1c(OC(=O)c2ccccc2Cl)ccc2c1OC(=Cc1ccccc1Cl)C2=O 2322724959 DQKHOUXMICQOCZ-UHFFFAOYSA-N 425.267 6.137 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Br)c2)cc1OCc1ccccc1F 2323097746 IGRGTGNYEZDDKM-UHFFFAOYSA-N 441.296 6.072 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Br)cc2)cc(Br)c1OC 2323597956 RKJYDZMSNGGJQY-UHFFFAOYSA-N 440.131 5.515 30 10 IKEE CC(C)N(Cc1ccccc1)Cc1c(O)ccc2c1OC(=Cc1cccc(Cl)c1)C2=O 2324014320 HHXLZRFSCBXGQD-UHFFFAOYSA-N 433.935 6.072 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OCc1ccc(Cl)cc1 2324097501 IGZRLIISTAQIMP-UHFFFAOYSA-N 436.891 5.943 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(O[C@H](C)C(=O)Nc3cccc(C)c3C)c2C)C1=O 2324505638 HJAXSIHYAYRLPN-HXUWFJFHSA-N 441.527 5.942 30 10 IKEE COc1c(Br)cc(C=CC(=O)c2c(C)cc(C)cc2C)cc1Br 2324545811 LJCHZLMOPNOKLM-UHFFFAOYSA-N 438.159 6.042 30 10 IKEE CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1Cl)C2=O 2325079302 YFLWDYQSLCUGKJ-GOSISDBHSA-N 435.303 5.720 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccc2c(c1C)OC(=Cc1cccc(F)c1)C2=O 2325494785 YCHKRHOQFSMJCF-UHFFFAOYSA-N 431.463 5.385 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OCC(=O)NCc3ccccc3Cl)c2C)C1=O 2325645576 PKCLMFQJZFDNLJ-UHFFFAOYSA-N 447.918 5.268 30 10 IKEE COc1ccc(CC(=O)Oc2cc(C=CC(=O)c3ccc(C)cc3)ccc2OC)cc1OC 2325737508 XLQBRDHABSFSMW-UHFFFAOYSA-N 446.499 5.065 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccco3)c2)c(OCC)c1 2325762112 VBYUBMHDBMGYBT-UHFFFAOYSA-N 436.460 5.201 30 10 IKEE COc1c(Cl)cc(C=Nn2c(C)nnc2SCc2cc(C)cc(C)c2)cc1Cl 2326399159 SSOYCUNDCVSKOF-UHFFFAOYSA-N 435.380 5.693 30 10 IKEE CCc1nnc(SCc2ccccc2Cl)n1N=Cc1c(C)n(CC)c2ccccc12 2326546601 YAUYMSQOWRVZGK-UHFFFAOYSA-N 438.000 5.951 30 10 IKEE CCCOc1ccc(C=Nn2c(COc3ccccc3OCC)nnc2SCC)cc1 2326823788 UZZRNLFBRJKMJH-UHFFFAOYSA-N 440.569 5.039 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CCCOc2cccc(C)c2)nnc1SCC 2326992061 ZKRWZGXLDYRSOZ-UHFFFAOYSA-N 436.581 5.157 30 10 IKEE COc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2ccccc2C)cc1 2328386523 UKKQCBYBMGBQSI-UHFFFAOYSA-N 444.560 5.349 30 10 IKEE Cc1ccc(C=Nn2c(COCc3ccccc3)nnc2SCc2ccccc2F)cc1 2329342890 VCECZKHUDCGIIU-UHFFFAOYSA-N 446.551 5.617 30 10 IKEE Clc1ccc(CSc2nnc(COCc3ccccc3)n2N=Cc2ccco2)cc1 2329362742 LELUUNGQOORNIS-UHFFFAOYSA-N 438.940 5.416 30 10 IKEE O=C(COc1cc(F)ccc1F)Oc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1 2330680260 QICXTVFTQPPULB-UHFFFAOYSA-N 448.465 5.724 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(C)c3)c(OCC)c2)cc1 2330842526 YVAXKILFPOXOFJ-UHFFFAOYSA-N 442.555 6.852 30 10 IKEE CSc1nnc(C2CCCC2)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2331015919 MYDOIJZCUCNQGQ-UHFFFAOYSA-N 426.973 5.772 30 10 IKEE CCc1ccc(C(=O)Oc2c(OC)cc(C=CC(=O)c3ccc(C)cc3)cc2OC)cc1 2331259756 XYDVFAGMLNJTNN-UHFFFAOYSA-N 430.500 5.690 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3)cc2Cl)cc1 2331260260 RYNJOMPYFRMEEC-UHFFFAOYSA-N 448.946 6.481 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)c1cccc(C)c1 2331346739 HOKBQNYQNURHCE-UHFFFAOYSA-N 444.502 6.295 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)Cc1cc(C)ccc1C 2331349030 LDXHFQKSUDKLQC-UHFFFAOYSA-N 432.491 5.804 30 10 IKEE COC(=O)c1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C(C)(C)C)cc1 2331409116 WKIGCTHPBIGYOP-UHFFFAOYSA-N 442.972 5.190 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1Cl)c1cccc(Cl)c1 2331473181 SNYQWSQRHAFNAD-UHFFFAOYSA-N 447.317 7.262 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2[N+](=O)[O-])cc1 2331498021 ZAOVEKZAHIBKOR-UHFFFAOYSA-N 429.472 6.142 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SCc3ccccc3)nnc2C2CCC2)cc1 2331520993 WQAYCPDUQPDQOR-UHFFFAOYSA-N 434.609 6.289 30 10 IKEE CCCC(=O)Oc1c(OC)cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc1OC 2331547756 QZSIFBBWUNNNHJ-UHFFFAOYSA-N 440.536 5.612 30 10 IKEE Cc1cc(CC(=O)Oc2ccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)cc2)ccc1F 2331643574 DBPFUKIWQYJJCG-UHFFFAOYSA-N 430.519 6.412 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)cc2Cl)c1 2331645791 WAYHXJSFZFPKBX-UHFFFAOYSA-N 448.946 6.698 30 10 IKEE C=CCSc1nnc(CCC)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2331657473 NLHSACSQHLYQEJ-UHFFFAOYSA-N 426.973 5.623 30 10 IKEE COc1cc(C(=O)C=Cc2ccc(OC(=O)c3cccc(F)c3)cc2)c(OC)cc1Cl 2331687377 YEJXRKHXBOTVRY-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2cccc3ccccc23)nnc1C(C)C 2331705775 KWQGLSHPVPBIRA-UHFFFAOYSA-N 442.588 6.294 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccccc3)c([N+](=O)[O-])c2)cc1C 2331707045 AGPDSXATRQVEKX-UHFFFAOYSA-N 431.444 5.092 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2ccccc2)c(Cl)c1 2331755430 YQLOFRHCUKWZNM-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE Cc1c(Cl)cccc1-n1nnc(C#N)c1NC(=O)C(=Cc1ccccc1)c1ccccc1 2332188797 WVRRBIOOKIOWET-UHFFFAOYSA-N 439.906 5.280 30 10 IKEE CCCN[C@@H](CC#C[Si](C)(C)C)c1sc(Cl)cc1I 2340972008 TWUBHSPDADSGSU-LBPRGKRZSA-N 425.839 5.318 30 10 IKEE CC(C)[C@H]1CN(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN1Cc1ccccc1 2365053694 GLOZNMUBEOAQMG-XMMPIXPASA-N 447.432 5.073 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)Nc3ccccc3F)=C(C)NC3=C2C(=O)CCC3)cc1 4635534 YODKLHFPZCJAOA-RUZDIDTESA-N 447.554 5.279 30 10 IKEE COc1ccc(C(=O)C[C@H]2S/C(=N\c3cccc(C)c3)N(c3cccc(C)c3)C2=O)cc1 15055217 ZSJQBFVSEIWLAF-IHZKLZTASA-N 444.556 5.721 30 10 IKEE CCCCCSc1nc2n(n1)[C@@H](c1ccccc1OCC)C1=C(CC(C)(C)CC1=O)N2 20850894 XJDHSOJMMPNYJU-NRFANRHFSA-N 440.613 5.617 30 10 IKEE CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(O)c2)cc1 20885423 LATJSUAWBNBKQF-PIIWDFAUSA-N 438.571 6.669 30 10 IKEE Cc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2cccs2)cc1C 21722340 CPCSBTWPGGDKEM-RUZDIDTESA-N 443.572 6.577 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(C(C)(C)C)cc1 34943651 BZPOOABRAXMKCT-HSZRJFAPSA-N 435.564 5.216 30 10 IKEE COc1cccc(C(=O)Oc2ccccc2/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c1 34954579 UEXOFDPRBBJRDC-VHEBQXMUSA-N 434.491 6.478 30 10 IKEE C=C(C)C(=O)NCCc1nc2ccccc2n1CCCCOc1cc(C)ccc1C(C)C 35144702 QSFDRQNXLXOKGR-UHFFFAOYSA-N 433.596 5.562 30 10 IKEE C=CCc1ccc(OCCCCn2c(-c3ccc(OC)cc3)nc3ccccc32)c(OC)c1 40249775 OOQVMHBEDIEYKH-UHFFFAOYSA-N 442.559 6.308 30 10 IKEE CCCCCCCCCCCCCCCc1cccc(OC(C)(C)c2nnc(N)o2)c1 95739134 FBWIFMWLICNENI-UHFFFAOYSA-N 429.649 7.600 30 10 IKEE Cc1ccc(C(=O)/C=C\c2cn(C[C@@H](O)CN3CCc4ccccc43)c3ccccc23)cc1 96498632 SACYANIVAVEYTE-LAUMOQQDSA-N 436.555 5.269 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)CNc1ccccc1OC(C)C 100091709 OYDZZEWYQGMWKB-UHFFFAOYSA-N 432.693 7.483 30 10 IKEE O=C(O)c1cccc(/N=C2/S/C(=C\c3cccc(Cl)c3)C(=O)N2c2ccccc2)c1 101133164 FSPIEJIBMLQAQA-DMDNQVQLSA-N 434.904 5.847 30 10 IKEE COc1cc(OC)c(OC)cc1/C=C1/Oc2cc(OCc3ccccc3F)ccc2C1=O 103019120 NSHFAQYXXFWOPF-BHGWPJFGSA-N 436.435 5.047 30 10 IKEE FC1=C(F)[C@](F)(OCC(F)(F)C(F)F)[C@@H](F)C(F)=C1OCC(F)(F)C(F)F 106122696 MNDBIOHPAGEXBD-PWCHPLFNSA-N 430.160 5.170 30 10 IKEE CCOc1cc(/C=N/Nc2ccccn2)ccc1OCc1ccc(Br)cc1 169877728 QAMKKWFLMZNTTP-ZVHZXABRSA-N 426.314 5.268 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccc(C)cc2)c1 169934681 OVBDZRAVYLOWCR-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE CCCOc1ccc(/C=N\Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1Cl 169942377 MFFLKPGDHLWUOB-FMCGGJTJSA-N 431.945 5.716 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccc(O)cc2)cc1 169958465 QKOMDVRCFIMGQC-JOCHJYFZSA-N 435.426 5.016 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2cccc(C)c2)cc1 169971364 QRNUNCGTMNAUKF-QFIPXVFZSA-N 435.426 5.065 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1cccs1)c1ccc([N+](=O)[O-])cc1 169985400 STYLDCSNVXOIDD-GOSISDBHSA-N 440.864 5.093 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccccc2C)cc1 170029850 MANXWCQIJWQHQU-VWLOTQADSA-N 441.527 5.793 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(OCC)c3)=C(O)C(=O)N2C2CCCCC2)cc1 170031595 UKJOVHPDXIXCEL-XMMPIXPASA-N 449.547 5.395 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccccc2)c1 170047363 WYRWVPLCYPXWGY-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2sccc2C)s1 170106421 DCVREAUIVGRCAC-SFHVURJKSA-N 438.574 5.530 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc(F)cc2)=C(O)C(=O)N1c1ccc(Cl)cc1 170106620 IZDJCDNUBVFLLH-GOSISDBHSA-N 427.884 5.632 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(C4CCCCC4)[C@@H]3c3ccc(O)cc3)oc12 170135759 DLOHEDCGUFKMJA-JOCHJYFZSA-N 447.487 5.058 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccc(C)c2)c1 170141965 VUYDLXKFNYKSAU-VWLOTQADSA-N 441.527 5.875 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2cccs2)cc1 170155428 ASORIMBXUMWAQX-NRFANRHFSA-N 437.492 5.459 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccs2)c(C)c1 170160888 FPKZZPWAIDCOKB-QMHKHESXSA-N 445.540 5.471 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1cccnc1 170191198 JZLNJPLZWCXSHX-XMMPIXPASA-N 442.515 5.208 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)c(OC)cc3C)[C@@H]2c2ccncc2)cc1 170201357 CDIMMIVSKAZIOT-DEOSSOPVSA-N 442.515 5.052 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@H]1c1cccc(O)c1 170263378 PHOJZMTUMDZTHA-OAQYLSRUSA-N 443.927 5.213 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(O)c2)cc1C(C)C 170264165 DJDUZSUXMAIKLF-DEOSSOPVSA-N 449.547 5.435 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(OC)c3)=C(O)C(=O)N2C2CCCC2)cc1 170268470 AMMSUIKYQBYEFN-JOCHJYFZSA-N 439.939 5.432 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2C2CCCC2)cc1 170268734 PTEPHXBMECMXEE-QHCPKHFHSA-N 445.515 5.525 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2C)c1 170272376 IFAHWAVHQWUKFQ-DEOSSOPVSA-N 427.500 5.485 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)(C)C)c2)[C@@H]1c1ccccc1C 170276913 UNGKYJKSATXIRK-QHCPKHFHSA-N 435.564 5.680 30 10 IKEE CCCCCCCCc1ccc(-c2ccc(C#Cc3ccc(Br)cc3)cc2)cc1 205773621 IYVKTVNOFFFVJE-UHFFFAOYSA-N 445.444 8.419 30 10 IKEE C=C[C@@H]1OC(C)(C)O[C@H]1C(=O)COC(c1ccccc1)(c1ccccc1)c1ccccc1 224612100 YOYUDDUZWMEVTR-UIOOFZCWSA-N 428.528 5.270 30 10 IKEE Clc1ccc(C=NNc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)cc1Cl 252598962 DFQZKDUCCMXISQ-UHFFFAOYSA-N 442.354 5.358 30 10 IKEE C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1cc(C)ccc1C 252614478 JKBFETATFPMYJS-FQEVSTJZSA-N 441.984 5.412 30 10 IKEE CCCCCCCCCCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]21C 253617975 GRAAWEGTURLYKP-WSWWJLHISA-N 442.684 7.571 30 10 IKEE CC(C)(C)c1ccc(C(=O)N=C2c3ccccc3CN2c2cc(Cl)cc(Cl)c2)cc1 254568779 IWBZSSOVTIUCHP-UHFFFAOYSA-N 437.370 6.898 30 10 IKEE Cc1ccccc1NC(=O)c1c(N=Cc2ccc(F)cc2)sc2c1CC[C@H](C(C)(C)C)C2 254742426 ZJIQKEVCHBYUGA-IBGZPJMESA-N 448.607 7.350 30 10 IKEE O=[N+]([O-])c1cc2c(cc1C=Nc1ccc3oc(-c4cccc5ccccc45)nc3c1)OCO2 254819145 HTCBXYNRMCLJQN-UHFFFAOYSA-N 437.411 6.036 30 10 IKEE CCSc1nnc(C)n1N=Cc1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1 254839209 FCZQLMAWZAAJLL-UHFFFAOYSA-N 445.759 5.713 30 10 IKEE CCCCCCCCCC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(OC)ccc4[C@@H]3CC[C@]12C 256165490 XXXNFLRIRGXPDQ-LNUXVGPYSA-N 440.668 7.604 30 10 IKEE C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@H]([C@]4(C)CCC(=O)O4)CC[C@]32C)[C@]1(C)CCC(=O)O 257471617 LEKUPXHLKIIVCR-AXYGRCTMSA-N 430.629 6.388 30 10 IKEE biogenic O=C(OCc1ccccc1)N1C[C@@H](CS)[C@@H](c2ccc(Br)cc2Cl)C1 382717714 LNILPHFUUQLZIM-YOEHRIQHSA-N 440.790 5.385 30 10 IKEE CC(C)COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccncc2)cc1 526488884 RKWQDTGPUIQIRG-DEOSSOPVSA-N 425.488 5.045 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(C(C)C)cc2)c1 526606478 KSAPYMDZLWCONU-SANMLTNESA-N 438.527 6.138 30 10 IKEE CC(C)c1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(Sc3ccccc3)C2=O)cc1 526658796 ADGKGZYZVOHWRN-UHFFFAOYSA-N 439.540 5.671 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1/N=C\c1ccc(OCCC)c(Cl)c1 526798945 AJNBDRHQCXHPLW-XYGWBWBKSA-N 443.016 6.237 30 10 IKEE CCCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1cccc(O)c1 526814158 AORFADAMIYYGSD-FMCGGJTJSA-N 435.380 5.808 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccc(N(C)C)cc1 526817343 SSKMEMFHHZRSHM-IWIPYMOSSA-N 428.005 5.515 30 10 IKEE Clc1ccc(/C=N\n2cnnc2SCc2ccc(Br)cc2)c(Cl)c1 526820129 UXYOLTRCWBEIAI-WNFQYIGGSA-N 442.169 5.522 30 10 IKEE C[C@@H](c1ccccc1)N(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586134960 RDYVCTQTEBLOPR-INIZCTEOSA-N 445.371 5.817 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@](C)(C#N)Cc1ccc(Cl)cc1 698453755 FSSAQKCIKALOMX-OAQYLSRUSA-N 449.776 6.369 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(F)cc(Br)c1 698488207 BORAUAAKVGOXAX-KRWDZBQOSA-N 435.293 5.603 30 10 IKEE CC(C)(C[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1)NC(=O)OC(C)(C)C 698903895 VVUUTWFJMSOKSG-QGZVFWFLSA-N 437.968 5.667 30 10 IKEE C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(F)ccc2F)[n+]2ccc(CCC)cc2)c1 726572947 RIKKXFISNCIPGQ-UHFFFAOYSA-O 435.519 5.509 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=NNc3nc(-c4ccccc4)cs3)cc2)cc1 1084394235 FQCNGYOQVQQGIY-UHFFFAOYSA-N 429.501 5.484 30 10 IKEE COc1ccc(C(C)=NNc2nc(SCc3ccc(C(C)(C)C)cc3)n[nH]2)cc1OC 1084489113 VGUKIGRFAUXTHK-UHFFFAOYSA-N 439.585 5.248 30 10 IKEE C[C@H]1CC(=Nc2c(Cl)cccc2Cl)c2cc(F)ccc2N1C(=O)c1ccc(F)cc1 1088681221 SIGPKNOWRRMSCT-ZDUSSCGKSA-N 445.296 6.831 30 10 IKEE CC(C)(C)c1ccc(/C=C2/S/C(=N/N=C/c3cccs3)N(Cc3ccco3)C2=O)cc1 1615301629 OMLNVWQJWLTZNF-JZONJGELSA-N 449.601 6.145 30 10 IKEE Cc1cccc(N=C2S/C(=C\c3ccc(OCc4ccccc4Cl)cc3)C(=O)N2C)n1 1772731720 QRBRHDIRHITHOK-PAMLCIOASA-N 449.963 5.856 30 10 IKEE COc1ccc(CCn2c(O)c(N=Nc3cc(C)ccc3C)c(C)c(C#N)c2=O)cc1OC 1772741327 GKRXVQHEVJPWEL-UHFFFAOYSA-N 446.507 5.026 30 10 IKEE Cc1sc(NN=Cc2cn(Cc3ccccc3)c3ccccc23)nc1-c1ccc(F)cc1 1772743328 ILOQLAVDBOIMTH-UHFFFAOYSA-N 440.547 6.707 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1cccc(OCC)c1 1862383227 JTDOZLVKDUQGJD-LJQANCHMSA-N 432.303 5.156 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccccc2F)cc1 1862391119 SPCOEVNZHYRDDP-MQVPCNEGSA-N 449.566 6.325 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1cccc(Cl)c1)c1ccc(F)cc1F 1862417776 ZUOPAARFNJZNCD-NRFANRHFSA-N 445.893 5.919 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc(OCCC)c1 1862437079 IYIBCOANZMXAAB-QFIPXVFZSA-N 441.955 5.897 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccccc1)c1c(F)cc(F)cc1F 1862455989 HKTYJYWGJPLOGG-OAQYLSRUSA-N 441.380 5.022 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)cc1 1862479641 MGBINVGPCLYENS-DNVKUUNQSA-N 447.575 5.941 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccccc1C 1862490033 MIWVDBHIYUQVQA-VWLOTQADSA-N 433.592 6.551 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2cccc(Cl)c2)cc1 1862536383 XBQLSECDQGIRCC-XMMPIXPASA-N 445.946 5.989 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1Cl 1862743715 DPBWUSXOEUFUOC-ZMZPIMSZSA-N 449.290 5.278 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1c(Cl)cccc1Cl 1862744766 UNDCSLLPFVGQIZ-VOJFVSQTSA-N 449.290 5.278 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cc(Cl)ccc3Cl)C2=O)cc1 1862897833 IURGLOMZQKBNHC-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2OCCCC)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863287438 WIGBEBQDGXIMJD-UHFFFAOYSA-N 445.346 5.550 30 10 IKEE CCCCCCCCCCNC1=C(c2cccc3ccccc23)C(=O)N(CCOC)C1=O 1863575910 NBPCPDZNKTYBSO-UHFFFAOYSA-N 436.596 5.296 30 10 IKEE CCCCCCCCNC1=C(c2ccc(F)cc2F)C(=O)N(Cc2cccc(C)c2)C1=O 1863659525 HWZJEFBLTPNJNB-UHFFFAOYSA-N 440.534 5.503 30 10 IKEE C[C@@H](CC(=O)N[C@H](C(=O)Nc1ccccc1C#N)c1ccccc1)c1cccc(Cl)c1 1867187131 ILPJEZZNMYASLJ-XDHUDOTRSA-N 431.923 5.201 30 10 IKEE Cc1ccc(-n2nnc(C#N)c2NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1Cl 1870140687 DQLOCCPCAHVQSK-QPJJXVBHSA-N 432.698 5.060 30 10 IKEE CCCCCCCCCCn1cc(OCc2cccc(F)c2)c(=O)cc1CSCCO 1870167587 YEUMFHIEGQRGDA-UHFFFAOYSA-N 449.632 5.933 30 10 IKEE CCCCCCCCn1cc(OCC)c(=O)cc1CSc1nc2ccccc2s1 1870238328 SULHKUPIRIQCCC-UHFFFAOYSA-N 430.639 6.510 30 10 IKEE CCCCCCCCn1cc(OCc2cccc(OC)c2)c(=O)cc1CN1CCCC1 1870606199 CEYVIAYNFCTKLS-UHFFFAOYSA-N 426.601 5.392 30 10 IKEE CCCCCCCOc1cn(CCN(CC)CC)c(CNc2ccc(C)cc2)cc1=O 1870837700 TWJDDFANIWGEOC-UHFFFAOYSA-N 427.633 5.460 30 10 IKEE C=CCn1cc(OCCCOc2ccc(Cl)cc2)c(=O)cc1CNc1ccccc1C 1871218680 LMKCAHLZVUTSNE-UHFFFAOYSA-N 438.955 5.456 30 10 IKEE C=CCOc1cccc(C(=O)Nc2ccc3oc(C(=O)c4ccc(Cl)cc4)c(C)c3c2)c1 1871359206 WJDVPYBIMIFDGW-UHFFFAOYSA-N 445.902 6.443 30 10 IKEE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)cc1OC 1871367218 ZUAOFXTUTHCSMZ-WZHUGYCUSA-N 442.467 5.247 30 10 IKEE Cc1c(OC(=O)c2ccc(Cl)c(Cl)c2)ccc2c1O/C(=C\c1cccc(F)c1)C2=O 1871372241 HFDBVWJFKOQAGK-JMIUGGIZSA-N 443.257 6.276 30 10 IKEE Cc1cc(OC(=O)Cc2cc(Cl)ccc2Cl)cc2c1C(=O)/C(=C/c1ccccn1)O2 1871376302 DPRVUQNIEOGYKC-JAIQZWGSSA-N 440.282 5.461 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OC(=O)COc3ccc(Cl)cc3)cc(C)c2C1=O 1871380703 CSFUTNPNKXJDAO-UUYOSTAYSA-N 434.875 5.557 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3c(CN(C)C4CCCCC4)c(O)cc(C)c3C2=O)c1 1871393485 PMWAYOYUIKMZCP-UCQKPKSFSA-N 437.536 5.099 30 10 IKEE Cc1ccccc1OCCCCOc1ccc2c(c1)O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871404136 CZSLUPCXYDHNOU-VEILYXNESA-N 442.555 6.973 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)c(C)c1 1871412419 ZKJJWZOYHRGTKU-GHRPQRKGSA-N 447.918 5.979 30 10 IKEE Cc1c(OCC(=O)Nc2ccccc2F)ccc2c1O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871459961 NKLGOZHJYNYSAM-OYKKKHCWSA-N 445.490 5.891 30 10 IKEE CCCCCCCCN=c1nc(N2CCCCC2)[nH]c(=Nc2cccc(Cl)c2C)[nH]1 1871491532 GNACPFHRORELNJ-UHFFFAOYSA-N 431.028 5.184 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(Cl)cc1)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1871872955 YBNCCFIFEXYMFZ-QFIPXVFZSA-N 449.016 5.187 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cc(C)cc(C)c1)c1ccccc1)S(=O)(=O)c1ccccc1 1871993651 GYQCETNBYXMIDK-VWLOTQADSA-N 448.588 5.250 30 10 IKEE C=CCNC(=O)c1ccc2nc(-c3ccc(OC)c(OCc4ccc(Cl)cc4)c3)[nH]c2c1 1872731537 ZCCLLEJJOOIJJO-UHFFFAOYSA-N 447.922 5.387 30 10 IKEE CC(C)c1ccc(O[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 1872773511 PFKVWHRMDFMYEG-HNAYVOBHSA-N 434.517 5.306 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(Br)cc3)n2)cc1F 1872775114 KDPYCOJFFMSYBX-OAHLLOKOSA-N 445.313 5.139 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccc(C(C)C)cc3)n2)c(C)c1C 1872778777 UASCMONWBLRPPY-PGRDOPGGSA-N 448.588 6.203 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@H](C#N)C(=O)c2cccc(Br)c2)n1 1872780116 AAFSCCJQOMMSKF-QGZVFWFLSA-N 441.350 5.688 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)CCCOc2ccccc2)n1 1872785777 VRNSYEZVCYYBJR-QFIPXVFZSA-N 432.589 6.452 30 10 IKEE CCCCCCCCNC1=C(c2ccc(Cl)cc2)C(=O)N(C2CCCCCCC2)C1=O 1873138281 KDMKFVKWCHYGMO-UHFFFAOYSA-N 445.047 6.483 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2)C(=O)N(Cc2cc(C)ccc2C)C1=O 1873159020 ANQMMARFTYLMAD-UHFFFAOYSA-N 446.635 6.314 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CCCOc3ccc(C)cc3)nnc2SC)cc1 1874250429 CWGWHXXBOGYTGF-XIEYBQDHSA-N 438.597 5.381 30 10 IKEE CCCSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1ccc(C(C)C)cc1 1874259115 PCHFBBSJAJSRSP-YZSQISJMSA-N 436.625 6.317 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccccc3)n2/N=C/c2ccccn2)CC1 1874287911 DICSUINNQZHYBV-OVVQPSECSA-N 433.625 6.312 30 10 IKEE COc1cccc(CCc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2F)c1 1874310277 NPDHGWGFZILEEZ-WPWMEQJKSA-N 446.551 5.386 30 10 IKEE Clc1cccc(CSc2nnc(CCOc3ccccc3)n2/N=C/c2ccccc2)c1 1874347523 SFCMVLIPTCBXFS-YZSQISJMSA-N 448.979 5.728 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2cccs2)n1/N=C/c1sccc1C 1874368907 YYAPOZRUIGWSTD-OEAKJJBVSA-N 438.647 5.978 30 10 IKEE CN(C)c1ccc(/C=N/n2c(CCc3cccs3)nnc2SCc2ccccc2)cc1 1874371644 JWFJELPBPMGQRJ-KOEQRZSOSA-N 447.633 5.365 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2ccccc2C)cc1 1874389773 DTKOPTAFNZFCAG-ZXVVBBHZSA-N 426.589 5.703 30 10 IKEE CC(C)(C)Cc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccccc1F 1874441541 BAWCWGCOFLQFTC-BRJLIKDPSA-N 434.943 5.973 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1cccc(O)c1 1874480467 XSMNGQYCJDSNPZ-FSJBWODESA-N 435.380 5.808 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CCC)nnc1SCc1cccc2ccccc12 1874508662 OYMSEMDOADXDPZ-OVVQPSECSA-N 442.588 6.123 30 10 IKEE CCCOc1cccc(/C=N/n2c(CCC)nnc2SCc2ccc(Cl)cc2)c1 1874510049 DEGGXRFPJGGBGM-BUVRLJJBSA-N 428.989 5.847 30 10 IKEE Cc1ccccc1NC(=O)CSc1nnc(C2CC2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874518089 AOSTWUUISXXTNY-CVKSISIWSA-N 447.608 5.374 30 10 IKEE CCSc1nnc(C2CC2)n1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1874518602 BDEUBNYSGAELDO-WGOQTCKBSA-N 428.561 5.882 30 10 IKEE COc1cc(/C=N/n2c(C)nnc2SC)ccc1OCc1ccc(Cl)cc1Cl 1874529634 UBWVREYPBROJGO-LSHDLFTRSA-N 437.352 5.085 30 10 IKEE Cc1ccc(COc2ccc(/C=N/n3c(C)nnc3SCc3ccc(F)cc3)cc2)cc1 1874529953 KAKMPKPUXIXKGI-JFLMPSFJSA-N 446.551 5.788 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccccc2OCc2ccc(C(=O)OCC)o2)cc1 1874579855 LWPQPMUTEPLOQB-RVDMUPIBSA-N 434.488 5.720 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C)cc2)c1OCC(=O)Nc1ccc(C)cc1C 1874580058 VWFFLLAGXSNOHH-FYWRMAATSA-N 429.516 5.534 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OCc3cccc(C)c3)c2)cc1OCCC 1874594443 KNSOIUZDIOODAD-WYMLVPIESA-N 444.571 7.048 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(Cl)c1OCc1ccccc1F 1874602577 TUHXLUIXJQPQSC-JLHYYAGUSA-N 446.905 7.116 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Cl)c1OCc1ccc(F)cc1 1874627790 WLCKCHFFTJQXPF-BJMVGYQFSA-N 446.852 6.631 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 1874638707 NUPKKTRYISKTMH-BJMVGYQFSA-N 447.745 7.131 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1OC(=O)c1sccc1C 1874692538 LYTRMVZLXZBHHX-YRNVUSSQSA-N 428.509 6.334 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1cccc(/C=C/C(=O)c2ccc(F)c(F)c2)c1 1874710915 MQTGNCNWINOVIL-SDNWHVSQSA-N 436.454 5.934 30 10 IKEE O=C(Cc1ccccc1F)Oc1cccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1 1874718986 UZJIHJBWALVKBK-DHZHZOJOSA-N 429.274 6.177 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(Cl)cc2)CSc2nnc(C3CCC3)n21 1874876243 FBWSNORIWHRNCS-FQEVSTJZSA-N 447.048 6.261 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(F)c(C)c2)CSc2nnc(CC(C)C)n21 1874885088 XUPYVSSFOVNFFT-OAQYLSRUSA-N 446.636 5.986 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1cnc(C)cn1 1875095720 DEOQKSGEHXPGKZ-XYOKQWHBSA-N 438.483 5.452 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1OC 1875098736 JOIOHEIBHHBYTF-NBVRZTHBSA-N 448.603 7.126 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3cccc(C)c3C)cc2)cc1 1875105545 ACPDBUQZDKRSGQ-XMHGGMMESA-N 442.555 6.527 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3c(F)cccc3Cl)cc2)cc1 1875106940 SARCPEWZAHJQBU-SFQUDFHCSA-N 436.910 6.937 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccc([N+](=O)[O-])cc1 1875116930 ZWKXANCUWVOAAV-XCVCLJGOSA-N 431.488 5.613 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2-c2ccccc2)cc1)c1ccc(Cl)cc1 1875122666 GVSCXQKTBUYOKN-XDHOZWIPSA-N 438.910 7.122 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)Cc1cc(C)ccc1C 1875142129 MLEXMPQMTBESTG-XYOKQWHBSA-N 446.518 6.194 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)[C@@H]1CCCO1 1875156598 COOOCEOTPDKQFG-WXQAMHPUSA-N 434.532 5.528 30 10 IKEE COc1cc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(F)c3)cc2)c(OC)cc1Cl 1875173328 YEJXRKHXBOTVRY-DHZHZOJOSA-N 440.854 5.612 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)C3CCCC3)c(OC)c2)c(OC)c1 1875179011 ORPHIUIATYMILK-DHZHZOJOSA-N 444.911 5.358 30 10 IKEE CC(C)(C)C#CC[C@H](N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875646812 PZHQODMUJYCEBL-LBNVMWSVSA-N 443.587 5.645 30 10 IKEE C=CCC(C)(C)[C@H](O)c1sc(Br)c(Br)c1Br 1903214915 SJGYSMBENFKXTA-SECBINFHSA-N 433.003 5.671 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc([C@@](C)(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)c1 1912175022 HIXZMIUPIRCMLH-OAQYLSRUSA-N 430.509 5.320 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)[C@@H](CNC(=O)OC(C)(C)C)CCC12CCC2 1924918288 ARUFTAKHUHKGBP-HOOSLVGPSA-N 435.609 5.389 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](O)c1cc(C)cc(Br)c1F 1927661558 LYBSPTANKCNIOQ-FGZHOGPDSA-N 436.365 5.071 30 10 IKEE CC(C)[C@@H]1C[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)CN1Cc1ccccc1 1942592865 HGIGKVIIYAGFFE-DHLKQENFSA-N 439.625 5.678 30 10 IKEE CC(C)(C)OC(=O)NCC[C@@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C1 1949137051 YTGSOOUIILHIQH-UUOWRZLLSA-N 435.609 5.533 30 10 IKEE C#Cc1ccc(NC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)cc1 1984724354 NNYWFURJZNKNFS-AREMUKBSSA-N 438.527 5.170 30 10 IKEE C=CC1(C[C@H](NCC)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)CCC1 2049041879 XYIAFCKUEZVHBL-HOFKKMOUSA-N 442.644 5.555 30 10 IKEE O=C1N[C@](c2ccccc2)(C(F)(F)F)SC(=NC2CCCCC2)N1C1CCCCC1 2053528074 QXPCMONMGSTKOM-NRFANRHFSA-N 439.547 6.182 30 10 IKEE CCCc1ccc([C@@H](C(C)C)n2nc(C(F)F)c(C#N)c2I)cc1 2079906948 VQRRIVOZPLULRC-MRXNPFEDSA-N 443.279 5.495 30 10 IKEE Fc1ccc(C(F)(F)F)nc1-n1nc(C2CCC2)c(C(F)(F)F)c1Br 2080480775 DEJCIKONATZYDD-UHFFFAOYSA-N 432.137 5.474 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)C1(C#N)[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2 2111463118 OKNWCAPCQYRZOS-VXKWHMMOSA-N 449.570 5.762 30 10 IKEE C=CCCCC[C@@H](NCCC)c1cc(I)ccc1Br 2123089782 VYSNTEZIJARUBG-MRXNPFEDSA-N 436.175 5.841 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cccc(Br)c1Cl 2136570912 MZNIARGSDSVBHF-SJLPKXTDSA-N 443.813 5.450 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(F)c(Br)cc1F 2198179803 HGUINESXZYSTAN-QZTJIDSGSA-N 447.364 5.628 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)cc1Cl 2230378029 OUUCXILSKVHKMJ-MSOLQXFVSA-N 443.813 5.450 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(Nc2cccc(Br)c2)C[C@H]2CCCC[C@@H]21 2279689463 VHPOQQPADZBQHQ-YWMUFLPLSA-N 434.378 5.323 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)cc(C(C)C)c1 2280710203 FIYPXRBRGPSIEE-PMACEKPBSA-N 439.438 6.083 30 10 IKEE COC(=O)c1ccc(C=C2SC(=NCc3ccccc3)N(Cc3ccccc3)C2=O)cc1 2294704073 FSXRBMXJBAXAIR-UHFFFAOYSA-N 442.540 5.146 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H](CC(=O)C#Cc1ccc(Br)cc1)C1CCCC1 2296273815 QTLYAWZRMXBEMN-GOSISDBHSA-N 434.374 5.091 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@](C)(NC(=O)OC(C)(C)C)C(C)(C)C 2296292067 UNJGJSWYIUNRLT-AVRDEDQJSA-N 437.422 5.108 30 10 IKEE O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccc(Cl)c(Cl)c2)C1=C(O)c1cccs1 2297747622 LIPAXNJFABKUHE-SFHVURJKSA-N 445.327 5.072 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Cl)cc(Br)c1F 2315456516 SRTBOOKMGAAGJM-GDBMZVCRSA-N 435.765 5.362 30 10 IKEE COc1cccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCc2ccc(F)cc2)C4)c1 2321937082 UOKNPQKMOFRZMK-UHFFFAOYSA-N 445.490 5.154 30 10 IKEE Cc1ccc(C)c(CN2COc3cc(C)c4c(c3C2)OC(=Cc2ccccc2F)C4=O)c1 2322170911 MHIDJWQLHRCGRU-UHFFFAOYSA-N 429.491 5.719 30 10 IKEE Cc1cccc(CN2COc3ccc4c(c3C2)OC(=Cc2ccc(C(C)(C)C)cc2)C4=O)c1 2322216603 NVBQXPWEVFIABE-UHFFFAOYSA-N 439.555 6.261 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCc2cccc(F)c2)c1 2322371913 QGBHFTQVLBFICB-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)c1 2322799154 STFKWRMWVUVSQV-UHFFFAOYSA-N 444.483 5.663 30 10 IKEE Cc1c(OC(=O)c2cc3cc(Cl)ccc3o2)ccc2c1OC(=Cc1cccc(F)c1)C2=O 2322846811 WKVHGXZVANCSKT-UHFFFAOYSA-N 448.833 6.369 30 10 IKEE C=C(C)COc1c(C=CC(=O)c2ccc(OC)cc2OC)cc(Br)cc1OC 2322906357 GHPNOWSDBFZOAW-UHFFFAOYSA-N 447.325 5.326 30 10 IKEE COc1cc(Br)cc(C=CC(=O)c2cc(Cl)ccc2Cl)c1OCCO 2323003016 RXQCTSXKEXUCQT-UHFFFAOYSA-N 446.124 5.032 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccccc1OCC(=O)Nc1cccc(C)c1 2323022296 RMDYYBFNVSHDGW-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE CCCOC(=O)COc1cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OC 2323231387 QQNCUFZOFVHDRX-UHFFFAOYSA-N 440.536 5.364 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2sccc2C)C3=O)cc1 2323628356 XAKKOGJAPKRMSC-UHFFFAOYSA-N 434.469 5.126 30 10 IKEE Cc1cc(OC(=O)c2ccc(OCC(C)C)cc2)cc2c1C(=O)C(=Cc1cccs1)O2 2323635179 NARHAUDQZCOLKR-UHFFFAOYSA-N 434.513 5.927 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)cc1 2323864694 INOWNXLNNIQIFR-UHFFFAOYSA-N 441.483 5.153 30 10 IKEE CCOC(=O)c1sc(NN=Cc2cccc(OCc3ccc(Cl)cc3)c2)nc1C 2323865554 RTLSTYGRFFTRFT-UHFFFAOYSA-N 429.929 5.307 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OCc3ccccc3C)c(Br)c2)c1 2323946225 FRDYKLIANZSANG-UHFFFAOYSA-N 435.361 6.849 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1OCCc1ccccc1 2324192997 AXNJGLYHOAKNER-UHFFFAOYSA-N 435.451 5.650 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)OC(C)C)cc(C)c3C2=O)cc1 2324305684 FZEPIZSJLYZYPZ-SFHVURJKSA-N 437.536 5.176 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccccc2C)C3=O)cc1 2324454273 YGPSQDAYEQXTRO-SFHVURJKSA-N 443.499 5.334 30 10 IKEE CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2)C3=O)cc1 2324521450 ZICRWAIEAMYGQN-QGZVFWFLSA-N 429.472 5.108 30 10 IKEE Cc1cc(-c2csc([C@@H](C#N)C(=O)C(=Cc3ccccc3)c3ccccc3)n2)ccc1F 2324563823 DIMRWXOLBWINBO-QHCPKHFHSA-N 438.527 6.675 30 10 IKEE CC(C)(C)c1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc4c(c3)OCCO4)n2)cc1 2324611553 HSQKYSTVDSQJMW-HXUWFJFHSA-N 444.556 5.768 30 10 IKEE CC(=O)c1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2cccc(C)c2)C3=O)cc1 2324989771 NJJDCEXZSSVOIG-UHFFFAOYSA-N 441.483 5.140 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(C(=O)O)cc1 2325563006 JFOYVYSLDQBMSS-UHFFFAOYSA-N 449.363 5.410 30 10 IKEE CCOc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2)C3=O)cc1 2325705306 MAZNWUXEJKZHCQ-UHFFFAOYSA-N 429.472 5.027 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OC(=O)CCCOc3ccccc3)c2)c1 2325744302 BYPMCDIGCSXIRW-UHFFFAOYSA-N 446.499 5.365 30 10 IKEE O=C(CSc1ccccc1)Oc1cccc(C=CC(=O)c2ccc3c(c2)OCCO3)c1 2325745723 WXENRUAQUQMTDN-UHFFFAOYSA-N 432.497 5.052 30 10 IKEE COc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1OC 2325746316 PFUSBOOOENXLDM-UHFFFAOYSA-N 444.527 6.117 30 10 IKEE CCCSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1ccc(C)cc1 2325884166 CMHPXNABJXBKFP-UHFFFAOYSA-N 444.604 6.136 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1cc(C)ccc1O 2326020535 BSSUECHRMCIROG-UHFFFAOYSA-N 442.972 5.117 30 10 IKEE CCCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccccc1F 2326147562 MYWXULSDTPWNKR-UHFFFAOYSA-N 432.952 5.651 30 10 IKEE CCCCOc1ccc(C=Nn2c(C)nnc2SCc2ccc(C(C)(C)C)cc2)cc1 2326318046 XBCVMAVBKDIXTC-UHFFFAOYSA-N 436.625 6.237 30 10 IKEE C(=Nn1c(CCc2cccc3ccccc23)nnc1SCc1ccccc1)c1ccccc1 2326603459 MGTVHQMXXOANFF-UHFFFAOYSA-N 448.595 6.391 30 10 IKEE CCOc1ccccc1OCc1nnc(SCC)n1N=Cc1cccc2ccccc12 2326823586 IDEBAPVHQRBGHL-UHFFFAOYSA-N 432.549 5.403 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1cccc(OCC)c1 2327552065 OADZRMLDNWBPQR-UHFFFAOYSA-N 442.972 5.460 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N(C(=O)C=Cc2cccc(F)c2)C2CCNCC2)c1 2328369207 FZPQASUKGULKEQ-UHFFFAOYSA-N 449.570 5.098 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccc(F)cc3)n2N=Cc2cccnc2)c(C)c1 2328880175 ZTXOOYOXJBMAOR-UHFFFAOYSA-N 447.539 5.183 30 10 IKEE Cc1ccc(C=Nn2c(Cc3ccc(Cl)cc3)nnc2SCc2ccccc2C)cc1 2329077052 NGVXBRISZKGLEU-UHFFFAOYSA-N 447.007 6.314 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(Cl)cc3)n2N=Cc2ccccn2)c1 2329082150 IKNIYDWAGUMRDV-UHFFFAOYSA-N 433.968 5.400 30 10 IKEE Oc1ccccc1C=Nn1c(Cc2ccc(Cl)cc2)nnc1SCCc1ccccc1 2329102291 OBHXOXPLRKCDGI-UHFFFAOYSA-N 448.979 5.445 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2)n1N=Cc1cccc(Br)c1 2329918776 UPPONXMWMKGUFO-UHFFFAOYSA-N 443.370 5.170 30 10 IKEE Cc1ccc(C)c(CSc2nnc(COc3ccccc3)n2N=Cc2ccccc2F)c1 2329918981 KRKPLEOXKAUMRL-UHFFFAOYSA-N 446.551 5.788 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(-n3cccc3)cc2)cc1)c1ccc2c(c1)CCCC2 2330678508 BZSRANIVBIGQKF-UHFFFAOYSA-N 447.534 6.471 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)CCOc3ccccc3)c([N+](=O)[O-])c2)cc1 2330749944 LYRIZOQGYILEBX-UHFFFAOYSA-N 445.471 5.428 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(O)c(O)c1 2330863033 LEPPHXAXURGZDX-UHFFFAOYSA-N 446.576 5.606 30 10 IKEE O=C(CC12CC3CC(CC(C3)C1)C2)Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1 2330910860 MXFGJNPCTIEJPY-UHFFFAOYSA-N 434.963 6.748 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1Cl)c1ccc(Cl)cc1 2330913311 JBQVCZNPUZJUJU-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccccc3Cl)cc2Cl)cc1 2330913369 UZXFSRBNNUAAFN-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3Cl)c([N+](=O)[O-])c2)cc1 2330968084 XWJSWWRUURGTSE-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE Fc1ccccc1CSc1nnc(C2CCCC2)n1N=Cc1cccc2ccccc12 2331071673 DBEZCLZUAZJJLX-UHFFFAOYSA-N 430.552 6.403 30 10 IKEE Clc1ccc(C=Nn2c(SCCc3ccccc3)nnc2C2CCCC2)cc1Cl 2331077932 RIPVTIFDRANTRI-UHFFFAOYSA-N 445.419 6.460 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c([N+](=O)[O-])c2)c1 2331322591 PJAMZWMALGOKHP-UHFFFAOYSA-N 446.415 5.235 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(SCc2cccc(C)c2)nnc1C(C)(C)C 2331377625 UUIYLACVRPUYCV-UHFFFAOYSA-N 444.604 6.220 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OC(=O)[C@H]1CCCO1 2331410761 ACFQLSMGCWHBLI-OAQYLSRUSA-N 442.939 5.627 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1 2331612433 WHHHAWWKHQRSOK-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE COCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1c(F)cccc1Cl 2331618343 QUOCTINIGBHCRI-UHFFFAOYSA-N 443.306 5.184 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(C)cc2)cc1 2331633304 GFHXNAQCLIUSMC-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3cccs3)c(Cl)c2)c1C 2331645792 WFEUGBOWUPYCQV-UHFFFAOYSA-N 438.976 6.679 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc4cc(Cl)ccc4n3)cc2)cc1C 2331705212 PRMSWIIVLOGXLL-UHFFFAOYSA-N 441.914 6.620 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)cc2)n1N=Cc1c(Cl)cccc1Cl 2331707322 PEFQOYSSFUPSRG-UHFFFAOYSA-N 439.799 6.536 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cc(OC)c(OC(=O)C(C)C)c(OC)c1 2331741601 LRYVFOXVNJKJEQ-UHFFFAOYSA-N 432.900 5.132 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OCC 2331770738 OUZCXLDQRUGQSP-UHFFFAOYSA-N 428.956 6.656 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3)c(Cl)c2)cc1Cl 2331818850 MPGFZDWKUSSHNV-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccnc3)c(Cl)c2)c2ccccc12 2331866638 FLPNYLAMNXDKOA-UHFFFAOYSA-N 443.886 6.012 30 10 IKEE CC[C@H](C)[C@@H](COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339578287 FCHGBUTWATYSAF-QZASHXROSA-N 446.397 5.044 30 10 IKEE C[C@H](CCCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)CNC(=O)OC(C)(C)C 2339599276 LHHOREMCWFBRDR-GOSISDBHSA-N 446.397 5.046 30 10 IKEE CCCN[C@H](C#Cc1nc(C)cs1)c1csc(Br)c1Br 2363732350 ISACFTYCBIBQKT-LLVKDONJSA-N 434.222 5.130 30 10 IKEE CCCCCCCC[C@@H](NC)[C@H](O)c1sc(Cl)cc1I 2366653317 OGWKXFMVKBSLEX-OCCSQVGLSA-N 429.795 5.378 30 10 IKEE C=CCOc1cccc(NC(=O)COc2c(Cl)cc(Cl)cc2Br)c1 9779526 XGNKRADALKEQKW-UHFFFAOYSA-N 431.113 5.338 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2 14465100 NRKWHOABCWOHKA-HFMPRLQTSA-N 440.996 5.529 30 10 IKEE CC1=C(c2cccc(Cl)c2)C2=NNC3=C(C[C@H](c4ccc(C(C)C)cc4)CC3=O)N2N1 14729912 JMKZTVSSGOTPIX-IBGZPJMESA-N 432.955 5.290 30 10 IKEE CCCCN(CC)C(=O)CCc1ccc(-c2ccc(C)cc2C)n1-c1ccc(CC#N)cc1 23425528 LPECRYJRANUITM-UHFFFAOYSA-N 441.619 6.408 30 10 IKEE C=CCOc1c(Cl)cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1OC 33448422 RSMVCGOMBPLBOA-HMMYKYKNSA-N 443.952 5.583 30 10 IKEE COc1ccc(OCc2nc(C#N)c(N(Cc3ccccc3)Cc3ccccc3)o2)cc1 35342861 QUHGBWAUPDCRBO-UHFFFAOYSA-N 425.488 5.341 30 10 IKEE Cc1nnc(/N=C2/S/C(=C\C=C\c3ccccc3[N+](=O)[O-])C(=O)N2c2ccccc2)s1 39866466 GQIGNMRUBKPGJC-ROMPQOGUSA-N 449.517 5.120 30 10 IKEE C/C(=C1/S/C(=N/c2cccc(C(=O)O)c2)N(c2ccccc2)C1=O)c1ccc(O)cc1 39866793 NBBJIAXGZLQJGT-AULJNTNUSA-N 430.485 5.289 30 10 IKEE O=C1N/C(=N\N=C\c2ccc(-c3ccccc3)o2)S[C@@H]1Cc1ccc(Cl)c(Cl)c1 39888095 OHKJIKWPKJBZIT-QVHMZZSFSA-N 444.343 5.418 30 10 IKEE Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/Nc2ccc([N+](=O)[O-])cc2)CCC3)c1C 40814682 NSMJLOHSNNGGCI-NHFJDJAPSA-N 432.480 5.518 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(C(C)(C)C)cc1)C3=O)CN(Cc1cccnc1)CO2 41588153 DAVFMQKRVNKEEB-MSXFZWOLSA-N 440.543 5.656 30 10 IKEE C[C@H](c1ccccc1)N1COc2ccc3c(c2C1)O/C(=C\c1ccc(N(C)C)cc1)C3=O 41663082 FOUIHKUSQVZHPZ-SDPDQUOZSA-N 426.516 5.282 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OCc4cc(C)ccc4C)ccc3C2=O)cc1 62942266 BMXFQORGTAUFAD-YUMHPJSZSA-N 427.544 6.345 30 10 IKEE CCCc1sc(C(=O)/C=C\c2ccc(OCc3ccccc3)cc2)cc1Br 96576920 LCKIZAZNPGSHGX-KAMYIIQDSA-N 441.390 6.938 30 10 IKEE CCCCCCCCOc1c(C)cc(-c2cc(CCCCCC)c(C=O)s2)cc1C 100239927 WFYZBCXGMPZDOU-UHFFFAOYSA-N 428.682 8.707 30 10 IKEE O=C(O/C(=C/Nc1ccc(F)cc1)C(=O)c1ccc(Cl)cc1Cl)c1ccccc1 100417090 YRROTLVBHHAGRH-DEDYPNTBSA-N 430.262 6.126 30 10 IKEE CCCCCCCCCn1c([C@H]2CC(=O)N(c3ccc(C)cc3C)C2)nc2ccccc21 102200461 HDKREGHQJJLJPL-QHCPKHFHSA-N 431.624 6.924 30 10 IKEE CCCCCCCCCn1c([C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)nc2ccccc21 102207094 VLJPQNGLCQYTLQ-HSZRJFAPSA-N 431.624 6.924 30 10 IKEE O=[N+]([O-])c1ccc(NCCC/N=C\c2cc(Cl)cc(Br)c2O)c(Cl)c1 105481947 IANUQNUGASGKDB-UKWGHVSLSA-N 447.116 5.291 30 10 IKEE Cc1ccc(COc2ccccc2/C=N\n2cnnc2SCc2ccccc2Cl)cc1 139667451 OFPGSZZGIIGTTP-VYYCAZPPSA-N 448.979 5.993 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2ccncc2)c1 170018712 CQTUCHRVTVEHRH-QFIPXVFZSA-N 448.906 5.225 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@H]2c2ccccc2C)cc1 170088983 HUIXXJDLTFMUDU-XMMPIXPASA-N 443.499 5.185 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1ccc(OC)cc1 170116114 JNYZBZGZNLVFMB-OAQYLSRUSA-N 439.895 5.473 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2ccccc2)c1 170118038 QLJDMRPWMGNGML-RUZDIDTESA-N 435.479 5.631 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccccn2)cc1C 170172903 UKFMASPUFOGDEM-DEOSSOPVSA-N 442.515 5.188 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccnc2)c1 170189160 FDEOWPTVSXKJPW-QFIPXVFZSA-N 448.906 5.225 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@@H]1c1ccccc1 170223617 ZCBUXKLYKOXJMO-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2C)cc1C 170274191 YCYJCJCZKZKUTD-HSZRJFAPSA-N 431.488 5.074 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@@H]2c2ccco2)cc1 170288702 QOPHKAHGBHJFHF-OAQYLSRUSA-N 437.879 5.423 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2cccc(Cl)c2)o1 170303451 YTKLIRSAZQLJIU-OAQYLSRUSA-N 433.847 5.771 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccc(C)o2)c(OC)c1 170304785 NHDBIGHCNDGTBK-HSZRJFAPSA-N 447.487 5.005 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccc(F)cc2F)o1 170305834 PYLFMFGKZKAIJL-LJQANCHMSA-N 429.806 5.303 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4)[C@H]3c3sccc3C)oc12 170315027 NFUOUMIULILSJJ-HXUWFJFHSA-N 445.496 5.594 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2cccc3ccccc23)cc1 170369930 GDEDXHSZDSVGQL-DEOSSOPVSA-N 436.467 5.026 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(OC(F)(F)F)cc2)o1 170401380 JXGZSYSVWZHRDL-LJQANCHMSA-N 443.377 5.270 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(N(C)C)cc1 170443618 UAEWXHRBDGVTNP-XMMPIXPASA-N 434.580 5.565 30 10 IKEE CCOC(=O)c1c(Nc2oc(C)c(C)c2C#N)nnc(-c2ccccc2)c1-c1ccccc1 170544424 YFBRKCOTKHIFFZ-UHFFFAOYSA-N 438.487 5.812 30 10 IKEE CCN1/C(=C\C=C2\CC/C(=C3\Sc4ccccc4N3CC)C2=O)C(C)(C)c2ccccc21 208549656 VJULNMUKIIKDRJ-NGVMAZQJSA-N 442.628 6.821 30 10 IKEE C=CCn1c(SCc2ccc(C(C)(C)C)cc2)nnc1-c1ccc(Br)cc1 253574480 SQWDORLZKKYXMJ-UHFFFAOYSA-N 442.426 6.483 30 10 IKEE COc1cccc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccc(C(=O)O)cc3)C2=O)c1 254292128 QMVYJJUAUVALBU-JXJWTFEASA-N 444.512 5.198 30 10 IKEE CC(C)CCOc1ccc(Cl)cc1C=Nc1sccc1C(=O)NCc1ccco1 254825442 GSOMPKAOAJHNGJ-UHFFFAOYSA-N 430.957 6.100 30 10 IKEE C=CCn1c(-c2ccc(C)cc2)c(NC(=O)CC)sc1=Nc1cccc(C(F)(F)F)c1 254841976 YNXRBQWWIBAVSY-UHFFFAOYSA-N 445.510 6.311 30 10 IKEE Cc1ccc(S(=O)(=O)NN=CC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 254855406 VTIQQOLCKYSKJA-UHFFFAOYSA-N 440.568 5.294 30 10 IKEE CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)SC1=Nc1cccc(C(F)(F)F)c1 254872371 XEPZYMMCFVOVPS-RNSJOLQOSA-N 449.523 6.090 30 10 IKEE CCOc1cc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)ccc1OC 526489867 TWBISQFLCNQBAP-DEOSSOPVSA-N 444.462 5.162 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2c(C)[nH]c3ccccc23)c1 526516498 NVMYQZIRSDUNFT-AREMUKBSSA-N 449.510 5.804 30 10 IKEE CN(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc3ccccc23)cc1 526709209 SXOLCPOFXQKCTN-SANMLTNESA-N 448.522 5.689 30 10 IKEE CCOc1c(Cl)cc(/C=N\n2c(CC)nnc2SCc2ccccc2F)cc1OC 526803186 REZALXOAVQOXGZ-MSXFZWOLSA-N 448.951 5.215 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccc(OCCC)cc1 526806977 BAKTWWAKNADNGK-XYGWBWBKSA-N 443.016 6.237 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1ccc(Cl)c([N+](=O)[O-])c1 526808189 CXABHRILFCOQBM-QRVIBDJDSA-N 443.960 5.665 30 10 IKEE COc1ccc(Br)cc1/C=N\n1c(C)nnc1SCc1cc(C)ccc1C 526818660 UIBXSZWVPXGSHU-JJFYIABZSA-N 445.386 5.149 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCc2cc(Cl)ccc21 698486685 BKOLAHXDDCXHJG-NRFANRHFSA-N 447.760 6.209 30 10 IKEE CC(C)[C@H]1CC[C@@H](C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 698497281 MFEMDNZBVTUBQZ-ZWDAVXSWSA-N 435.406 6.545 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(Br)cc(Br)c1 698839945 MHVUPQWTHLVZNX-HNNXBMFYSA-N 446.183 5.669 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 698886789 VWYZJHBXIXXLOO-FDDCHVKYSA-N 433.524 5.249 30 10 IKEE Cc1cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)ccc1Br 698960095 VLOLWBSFOOFKDW-SFHVURJKSA-N 435.749 6.417 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@@H](C#N)c1ccc(Br)c(Cl)c1 698969455 YBEFEXDASOLUCF-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@H](C#N)c1ccc(Br)c(Cl)c1 710815732 RLSZERLALZOIBH-GFCCVEGCSA-N 427.648 5.467 30 10 IKEE C[C@@H](Sc1nc2ccc(N=Cc3ccccc3O)cc2s1)C(=O)Nc1nccs1 725410877 PYYJNXVXPRIIDF-GFCCVEGCSA-N 440.575 5.328 30 10 IKEE CCOC(=O)c1ccc(-n2c(C)cc(C=Nc3ccc(Cl)c([N+](=O)[O-])c3)c2C)cc1 1084141112 KSUZQKLIZPJSHD-UHFFFAOYSA-N 425.872 5.583 30 10 IKEE COc1ccc(-c2ccccc2)cc1N/C(=N/Cc1ccc(CN)cc1)N1CCCC[C@H]1C 1088684152 CGPURQLLLAVWDR-OAQYLSRUSA-N 442.607 5.663 30 10 IKEE C=CCCCCCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ccc(C)s1 1301169980 KQEFYUFQTRFLHH-UHFFFAOYSA-N 448.596 5.195 30 10 IKEE CCN1C(=O)/C(=C(/C)c2ccc(Br)cc2)SC1=Nc1cccnc1Cl 1772732486 FLDRTYFNFLTZFQ-AZAZKDLZSA-N 436.762 5.512 30 10 IKEE C=CCN1C(=O)/C(=C\C(Cl)=C/c2ccccc2)SC1=Nc1ccc(O)cc1C(=O)O 1772761108 VTDNHPZJSIJIFQ-WWIJCDCNSA-N 440.908 5.003 30 10 IKEE Cc1cccc(-n2cc(/C=N\NC(=S)Nc3ccc(F)cc3)c(-c3ccccc3)n2)c1 1857808589 DXHNOBTWTLVTIQ-YSMPRRRNSA-N 429.524 5.307 30 10 IKEE CN(C(=O)C(c1ccccc1)c1ccccc1)c1ccc(NC(=O)c2cccc(C#N)c2)cn1 1858257349 GXHNEZLTFCSGOS-UHFFFAOYSA-N 446.510 5.000 30 10 IKEE CC(C)(C)c1csc(NC(=O)[C@@H]2CCCN(C(=O)c3ccccc3Cl)C2)c1C#N 1860653026 OCUTWOPMUGNFHB-CQSZACIVSA-N 429.973 5.062 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCC)NC(=O)c1ccc2nc(CC(C)C)[nH]c2c1 1861451209 IWHMKFAGVDHAIU-OAQYLSRUSA-N 428.621 5.137 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2cc(Cl)cc(Cl)c2)cc1 1862394088 IGGZQSQUHVMDRN-NRFANRHFSA-N 446.374 6.323 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccccc1C 1862400959 QJDBVMHMYHFCKK-VWLOTQADSA-N 449.591 6.251 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2cccc(F)c2)cc1C 1862401803 KDERHZHTTVCXCC-ZFUCPZCZSA-N 437.511 5.300 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1cc(Cl)cc(Cl)c1 1862415974 IHOMNRIVNIYALC-GOSISDBHSA-N 440.273 5.650 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(Cl)c(Cl)c1 1862417346 YOMIWAMHQHSVPK-QGZVFWFLSA-N 426.246 5.258 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccccc2)cc1 1862513987 GTZZSXZBOTXCPA-XMMPIXPASA-N 445.490 5.393 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccccc2C)cc1 1862532206 FVPRPTWDOOWSBL-DEOSSOPVSA-N 429.491 5.475 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2C2CCCCC2)cc1 1862536618 CGQKXTJOLGQBSC-RUZDIDTESA-N 447.575 5.949 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCCOC(C)C)cc1 1862543479 IMJHWTXBTUKJBW-VWLOTQADSA-N 447.575 5.267 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1c(F)cccc1Cl)c1ccc(Cl)c(Cl)c1 1862585477 XIUDZMVIMGTGCG-QGZVFWFLSA-N 440.685 5.527 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccccc2Cl)cc1 1862591466 ZSTZLJWXVXDFPG-HSZRJFAPSA-N 447.918 5.387 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862664018 VFYQSXHLYWRYSG-RUZDIDTESA-N 447.575 6.120 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(Cl)cc1Cl 1862668058 POQXKLPYQKOEMX-SPLOXXLWSA-N 446.374 6.494 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(OCC)cc1 1862676730 PWMYOBVQWWZPDT-JOCHJYFZSA-N 425.500 5.383 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC(C)C)cc1 1862680288 XRBVBJMTUXSIGX-HSZRJFAPSA-N 439.527 5.629 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCC(C)C)c1 1862695884 KBXZPIROLFBHPT-HSZRJFAPSA-N 437.536 5.108 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(Cl)c2C)=C(c2ccc(F)cc2)C1=O 1863138184 XWWSPRWYFZSUPP-UHFFFAOYSA-N 442.962 6.340 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccc(C)cc2)=C(c2ccc(C)c(C)c2)C1=O 1863608118 SKZJVXYGSKFGAD-UHFFFAOYSA-N 432.608 5.842 30 10 IKEE CCCCCCCCN1C(=O)C(NCCc2ccccc2)=C(c2ccc(F)c(C)c2)C1=O 1863791997 RHEGWAUZDLTOIN-UHFFFAOYSA-N 436.571 5.407 30 10 IKEE CCCCCCCCCCNC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1 1868184691 XDGOCGZYYYXGOL-UHFFFAOYSA-N 440.678 7.338 30 10 IKEE C[C@H]1COC[C@H](C)N1c1cc(Nc2ccc(C#N)cc2)nc(-c2ccc(C(C)(C)C)cc2)n1 1868552524 FWFCETLCOYTCIC-OALUTQOASA-N 441.579 5.670 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)c(Cl)c2)c(=O)cc1CSc1ncccn1 1870252628 CDICPFHRDDZYDV-UHFFFAOYSA-N 434.348 5.002 30 10 IKEE CCCCCCCOc1cn(CCCCC)c(CNc2ccc3c(c2)OCO3)cc1=O 1870837757 XCBNYBSMZLCGTB-UHFFFAOYSA-N 428.573 5.729 30 10 IKEE CCCCCCCOc1cn(CCCCCO)c(CNc2ccc(CC)cc2)cc1=O 1870838040 LHWSAQROYVQTIM-UHFFFAOYSA-N 428.617 5.535 30 10 IKEE CC(C)Cn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(C(C)(C)C)cc1 1871251369 ATIGNLODVCQZCF-UHFFFAOYSA-N 443.591 5.865 30 10 IKEE CCCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(C)cc1 1871252510 FHZKNXBJXWNKOQ-UHFFFAOYSA-N 429.564 5.800 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/C=C/c1ccccc1)O3)CN(Cc1ccccc1F)CO2 1871346984 ONTYMSBURSNKEG-LZNIEJQKSA-N 427.475 5.659 30 10 IKEE COc1ccc([C@@H](C)N2COc3cc(C)c4c(c3C2)O/C(=C\c2ccccc2F)C4=O)cc1 1871353959 CBCZYBVHYLFNAH-ZKDCOOFMSA-N 445.490 5.672 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3)cc(C)c2C1=O 1871375050 PZWIPAYNIHELHW-FDTILGBMSA-N 430.887 6.192 30 10 IKEE Cc1c(OC(=O)c2cccc(OCC(C)C)c2)ccc2c1O/C(=C\c1cccs1)C2=O 1871381592 XLNLWDWBICVRNB-XKZIYDEJSA-N 434.513 5.927 30 10 IKEE CCCCOC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(Cl)cc1Cl)C2=O 1871400304 VCRORBUAKHYBNK-GRSHGNNSSA-N 435.303 5.640 30 10 IKEE COc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccccc4C)ccc3C2=O)cc1 1871404066 IGFDINOUWYYRST-SNNLMFDCSA-N 429.472 5.026 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(O[C@@H](C)C(=O)Nc3ccccc3)ccc2C1=O 1871405859 READDIGDNSKLMI-HZRSJKMUSA-N 429.472 5.108 30 10 IKEE Cc1cccc(OCCOc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2Cl)C3=O)c1 1871406880 LVPGBWIOGGWZRT-FMCGGJTJSA-N 441.310 6.376 30 10 IKEE CCc1ccc(NC(=O)[C@@H](CC)Oc2ccc3c(c2C)O/C(=C\c2ccncc2)C3=O)cc1 1871426714 WUZSETIUADAMLF-RRDPUDRWSA-N 442.515 5.365 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 1871841316 MXXDGQABVIJBSB-DEOSSOPVSA-N 442.625 5.574 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 1871983752 JFPGHVYUQBMBEA-DEOSSOPVSA-N 442.625 5.232 30 10 IKEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1cc(C)ccc1C 1872305350 XXUBBLXYFWYVSJ-NRFANRHFSA-N 449.016 5.249 30 10 IKEE C=CCN([C@H](CCC)C(=O)Nc1ccccc1CC)S(=O)(=O)c1c(C)cc(C)cc1C 1872470226 CVLXXJQLIFWHMY-HSZRJFAPSA-N 442.625 5.158 30 10 IKEE C=CCc1ccccc1OCc1cccc(C(=O)Nc2ccc(CC(=O)OCC)cc2)c1 1872833910 HHIGGUSUVZKDJL-UHFFFAOYSA-N 429.516 5.352 30 10 IKEE C=CCN1C(=O)C(Nc2cc(C(F)(F)F)ccc2Cl)=C(c2c(C)cc(C)cc2C)C1=O 1873330902 VFFBYTGCKVVTAU-UHFFFAOYSA-N 448.872 5.662 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)Nc1cccc(OCc3ccccc3)c1)n2CCC 1873613068 VWUGBGFFXOAHET-UHFFFAOYSA-N 441.535 5.271 30 10 IKEE Cc1cccc(OCc2nnc(SCc3cccc(F)c3)n2/N=C/c2cccn2C)c1C 1874323838 KGIAVQDOJRVQEU-VULFUBBASA-N 449.555 5.126 30 10 IKEE COc1ccccc1/C=N/n1c(Cc2ccc(C)c(C)c2)nnc1SCc1ccccc1 1874358589 PDNNMMNRXWBVBR-WPWMEQJKSA-N 442.588 5.669 30 10 IKEE Cc1ccc(CSc2nnc([C@@H](C)c3ccccc3)n2/N=C/c2ccc(O)cc2)cc1 1874392128 FGGHPQNUXSQNFZ-JHKMYFMNSA-N 428.561 5.618 30 10 IKEE CSc1nnc(Cc2ccccc2)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874415366 MBNUFZLMTIXEBN-WGOQTCKBSA-N 448.979 5.705 30 10 IKEE CCSc1nnc([C@H]2CCCO2)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874444443 DXCIUJVZKFKLIO-LSCMLXDISA-N 442.972 5.356 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccco2)cc1OCC 1874466238 DMMJWKRGRYKGDI-PCLIKHOPSA-N 448.548 5.510 30 10 IKEE CC(C)(C)c1nnc(SCc2ccccc2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874481616 FWRFUVFIUUVGBM-WSDLNYQXSA-N 429.933 5.312 30 10 IKEE CCCOc1ccccc1/C=N/n1c(C)nnc1SCc1c(Cl)cccc1Cl 1874533377 GENDJYHVLXEGRK-FSJBWODESA-N 435.380 5.857 30 10 IKEE Cc1cccc(CSc2nncn2/N=C/c2ccccc2OCc2ccccc2Cl)c1 1874536481 GSVCOOVFVXOOOA-MZJWZYIUSA-N 448.979 5.993 30 10 IKEE Sc1nnc(CCc2ccccc2)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874560896 VAJDZYDSXGLTOU-WGOQTCKBSA-N 448.979 5.467 30 10 IKEE O=C(/C=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)c1ccccc1 1874578627 YKDJHEPSTGHGRU-XYOKQWHBSA-N 427.725 6.578 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccccc2)cc1C(C)C 1874585594 XDYAUUGKFQSFSM-ZRDIBKRKSA-N 434.963 7.256 30 10 IKEE O=C(COc1cccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1)Nc1ccccc1 1874601048 QOWTWJAKGIMEQX-FMIVXFBMSA-N 426.299 5.907 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(OC)c1OCCc1ccccc1 1874614093 DJVQDQZTQKWTRV-XNTDXEJSSA-N 432.947 6.595 30 10 IKEE COc1ccccc1CC(=O)Oc1cccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c1 1874693039 KFPOBHWPDNICMD-XMHGGMMESA-N 448.518 6.406 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1OC(=O)c1ccccc1Cl 1874693638 PHHRNRUAMOXWBC-GXDHUFHOSA-N 446.930 6.343 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OC(=O)c1cccc(Cl)c1 1874708186 RAUDDDDQKZMUKE-NTUHNPAUSA-N 434.919 6.587 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2cc(Cl)ccc2Cl)c1)c1ccc(F)c(F)c1 1874711010 ORNFKBQNUSWWSQ-RUDMXATFSA-N 433.237 6.387 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccccc3OC)c2)cc1Cl 1874716857 MQZGJSQPIBYBHI-ZRDIBKRKSA-N 436.891 5.401 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1OC(=O)c1cccnc1 1874717595 DKYQYEWMWXGJGH-XBXARRHUSA-N 428.271 5.512 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(F)cc2)CSc2nnc(-c3ccco3)n21 1874909416 KJZPTTKNOVYRIU-LJQANCHMSA-N 442.560 5.739 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(CC)cc2)cc1OCC 1875100409 DQWDMGANJRKTFH-DTQAZKPQSA-N 442.983 7.073 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(OC)c1OC(=O)c1ccccn1 1875101419 OCOHXFLIMCRZRN-NTCAYCPXSA-N 427.500 5.496 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(C)c3)cc2[N+](=O)[O-])cc1 1875108588 WCFPPPZHCVTSRA-KPKJPENVSA-N 445.471 5.590 30 10 IKEE CCCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2cccc(Cl)c2)cc1OC 1875122242 TYUMCANDBQFTIL-CMDGGOBGSA-N 437.717 5.713 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)CCc1ccccc1C 1875132591 VRPDNTHMGVTEQX-GXDHUFHOSA-N 448.946 6.400 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc([N+](=O)[O-])c1OC(=O)c1ccncc1 1875134659 DOXOMBLYNJUNHN-SOFGYWHQSA-N 446.459 5.121 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)cc2)ccc1F 1875141231 UKNLXAXCGLEBDH-GTGIDHPJSA-N 434.894 6.393 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(Cl)c(OC(=O)c2ccccn2)c(OC)c1 1875143487 BYQOTNNHGITPMS-CMDGGOBGSA-N 437.879 5.176 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 1875158731 KNFMBBRQQRHQKK-QLKAYGNNSA-N 435.407 5.248 30 10 IKEE CCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1OC 1875170285 POZCESYLVVXGIO-CMDGGOBGSA-N 445.353 5.903 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)Cc1ccc(C)cc1 1875170332 RRUGHLQRIBKKJB-ACCUITESSA-N 442.555 6.282 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc(Cl)c1OC(=O)C1CC1 1875170993 ZZXLOBQEMDJRCD-RMKNXTFCSA-N 428.912 5.576 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)CCCSC 1875175421 OGIVYDLPTVHFRD-PKNBQFBNSA-N 428.550 5.265 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc4ccccc4n3C)cc2)c(OC)c1 1875178418 JFPGUWSQIYQBJJ-XNTDXEJSSA-N 441.483 5.311 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1Cl 1875186736 AIOZNMMKBAHVIM-VIZOYTHASA-N 448.946 6.761 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)cc1Cl 1875187011 JOQIMTMVVFCLDU-RUDMXATFSA-N 436.847 5.193 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@H](C#N)c1c(Cl)ccc(Cl)c1Cl 1888328648 ASDHGOJBJHBVFW-INIZCTEOSA-N 425.743 6.649 30 10 IKEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1C 2032559915 BLVHVOMIIKGECC-KBMIEXCESA-N 443.588 5.666 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1c(Cl)cccc1Cl)c1cccnc1 2033814325 OORMGQNEBRIUQI-SFHVURJKSA-N 445.327 5.228 30 10 IKEE CC(C)(C)OC(=O)NCC[C@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 2037227912 ANMBCXPPOILFFB-KBMIEXCESA-N 449.636 5.924 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)([C@@H](N)CC#CC2CCCCC2)C1 2041893605 MKNPQJKUBMZWLO-RPLLCQBOSA-N 440.628 5.132 30 10 IKEE CC(C)(C)OC(=O)NC1CC2(C1)CC(C#N)(N(C(=O)OC(C)(C)C)c1ccccc1F)C2 2056504032 IVAVLGPIBLAQLI-UHFFFAOYSA-N 445.535 5.297 30 10 IKEE CC(C)c1nn([C@@H](c2ccc(C(F)(F)F)cc2F)C(C)C)c(Br)c1C#N 2079878423 NLWJFTYPOKZGID-MRXNPFEDSA-N 432.259 6.044 30 10 IKEE CC1([C@@H](c2ccc(C(F)(F)F)cc2F)n2nc(C(F)(F)F)c(CO)c2Cl)CC1 2079978913 IXGQTUISPUFIJF-CYBMUJFWSA-N 430.751 5.595 30 10 IKEE N#C[C@H](Nc1cccc(Br)c1)c1c(Br)cccc1Br 2094994180 DNTMGVQYJYYSKM-ZDUSSCGKSA-N 444.952 5.651 30 10 IKEE CCN[C@@]1(C#N)C[C@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)CC2(CCC2)C1 2127160251 ZRDTYQCUXRFNQF-PXJZQJOASA-N 444.667 5.215 30 10 IKEE CC1(C)C[C@@H](Nc2ccc(C#N)c(Br)c2F)CCN(C(=O)OC(C)(C)C)C1 2162389559 MLUMAPYCXQDJPE-AWEZNQCLSA-N 440.357 5.297 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCCC)c2cc(C)c(Br)cc2C)C1 2201073876 QVBCRPKWHFZWGD-IBGZPJMESA-N 437.422 5.720 30 10 IKEE C=CCC1([C@@H](NC)c2ccc(Br)cc2Cl)CN(C(=O)OC(C)(C)C)C1 2222733190 OUKGDFYTZKMWFN-INIZCTEOSA-N 429.786 5.176 30 10 IKEE C=CCCCCCCC[C@@H](N)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2227267111 CKGLUFUWHPADPV-GOSISDBHSA-N 425.411 6.713 30 10 IKEE C=C(C)CC[C@H](NCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229110874 GFFPYULGFVRFHV-OALUTQOASA-N 425.411 5.219 30 10 IKEE CCC[C@]1([C@H](N)C#Cc2ccccc2Br)CCCCN1C(=O)OC(C)(C)C 2235724879 GTSRPUNQWWLOLI-DENIHFKCSA-N 435.406 5.088 30 10 IKEE CN[C@H](C#Cc1ccccc1Br)c1cc(F)cc(NC(=O)OC(C)(C)C)c1 2235749143 HIDXJQUAABTNKA-LJQANCHMSA-N 433.321 5.247 30 10 IKEE C=CCCC[C@H](NCCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237410281 VYGSANFDGKATPZ-PMACEKPBSA-N 439.438 5.609 30 10 IKEE CCCC#C[C@@H](NCCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237417093 KQYXOYIBXZSJEA-WOJBJXKFSA-N 437.422 5.057 30 10 IKEE CCN[C@H](C#CC1CCCCC1)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2251406981 KCXKJVLEHFKZJQ-ZTCOLXNVSA-N 428.617 5.047 30 10 IKEE Cc1c(Br)sc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)c1C 2265881563 DHAQOWWWYOWRIP-OAHLLOKOSA-N 439.350 6.273 30 10 IKEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)[C@@H](C)C(C)(C)C)c1 2267605092 SBWQBUYHEUEJOP-FQEVSTJZSA-N 435.417 5.371 30 10 IKEE CN[C@H](CC=CC#CC(C)(C)C)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2284127692 BBROYFIDEMKKIS-GOSISDBHSA-N 435.406 6.052 30 10 IKEE CC(C)(C)OC(=O)NC1(CC[C@H](O)C#Cc2ccc(Br)cc2)CCCCC1 2296284509 RIFPLSLPPKLGEU-LJQANCHMSA-N 436.390 5.169 30 10 IKEE CC(C)c1ccc(C=C2Oc3cc(OS(=O)(=O)c4ccc(F)cc4)ccc3C2=O)cc1 2296871106 ONROZUZEQWWBJL-UHFFFAOYSA-N 438.476 5.333 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C 2302795825 MKZJIQVWGCELMO-NLWGTHIKSA-N 429.561 5.322 30 10 IKEE CC1(C)OB(c2csc(CN(Cc3ccccc3)CC3CCCCC3)n2)OC1(C)C 2303313683 PGBQIVDKXKYVSK-UHFFFAOYSA-N 426.435 5.025 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccccc3Br)c2)cc1 2314429978 SVKMRMKHEFNNDD-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE CCOc1ccc2c(c1)OC(=Cc1ccc(OC(=O)c3ccc(C)cc3)c(OC)c1)C2=O 2314527235 LIBJRKMAGOLSLA-UHFFFAOYSA-N 430.456 5.238 30 10 IKEE CCOc1ccc2c(c1)OC(=Cc1ccccc1OC(=O)c1ccc(C(C)(C)C)cc1)C2=O 2314527538 XMAWGHPNEFBNAU-UHFFFAOYSA-N 442.511 6.218 30 10 IKEE Cc1csc(N=C2SC(=Cc3cccc([N+](=O)[O-])c3)C(=O)N2C2CCCCC2)n1 2314544040 RSDYICPEHWNQRH-UHFFFAOYSA-N 428.539 5.296 30 10 IKEE Cc1ccc(COc2cc(C)c3c(c2)OC(=Cc2c(Cl)cccc2Cl)C3=O)cc1 2321745744 WADJUMYJUFZKTO-UHFFFAOYSA-N 425.311 6.805 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccccc1)O3)CN(C[C@H](O)c1ccc(Cl)cc1)CO2 2322234403 LRXZGYNEWYATHW-NRFANRHFSA-N 447.918 5.150 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(N(C)C)cc1)C3=O)CN([C@H](C)c1ccccc1)CO2 2322371347 ACXBFRMOQMVMJJ-LJQANCHMSA-N 440.543 5.590 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Cl)ccc1OCC(=O)N[C@H](C)c1ccccc1 2322481556 HUGFDOWVMPOKTO-GOSISDBHSA-N 449.934 5.501 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Cl)cc(OC)c1OCc1cccc(F)c1 2322481649 BGLZFTOWHDCLHS-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE COc1cc(C=NNc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 2322952813 GATFKJOOFHTYLH-UHFFFAOYSA-N 435.738 6.680 30 10 IKEE Cc1c(OC(=O)CCCOc2ccccc2)ccc2c1OC(=Cc1ccc(Cl)cc1)C2=O 2323181867 MADCGTKGHANGSD-UHFFFAOYSA-N 448.902 6.029 30 10 IKEE Cc1cccc(COc2ccc(C=CC(=O)c3ccc(Cl)cc3Cl)cc2[N+](=O)[O-])c1 2323519194 XFYKSBZEFHABQW-UHFFFAOYSA-N 442.298 6.685 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2OCC)C3=O)c1 2323802818 REMCJSJYKBLHDV-UHFFFAOYSA-N 444.483 5.628 30 10 IKEE Cc1ccc(COc2ccccc2C=NNc2nc(-c3ccc(C)cc3C)cs2)cc1 2323865916 SKYIJKNGZCRUFB-UHFFFAOYSA-N 427.573 6.760 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)ccc1OCc1ccccc1Cl 2324054929 NHSGZJJDSDBOQM-UHFFFAOYSA-N 436.891 5.595 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(ccc(O)c3CN(C)Cc3ccccc3)C2=O)cc1 2324077606 OJNFHFYKKNDUJC-UHFFFAOYSA-N 442.559 5.487 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OCc1ccc(C(=O)OC)o1 2324169909 QAIWHJCHRDVYTQ-UHFFFAOYSA-N 448.515 6.063 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OCCc3ccccc3)c(OC)c2)c(C)c1C 2324297945 VGWKETBNVYFBFG-UHFFFAOYSA-N 446.543 5.847 30 10 IKEE COc1cccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccc(F)cc4)cc(C)c3C2=O)c1 2324317493 AGZDXDINGXXLCA-MRXNPFEDSA-N 447.462 5.165 30 10 IKEE CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1ccccc1)C2=O 2324324954 BODOAQMLDZOSRU-KRWDZBQOSA-N 429.472 5.108 30 10 IKEE COc1cccc(C=C2Oc3cc(OCCCOc4ccc(Cl)cc4)ccc3C2=O)c1 2324548230 OXJURBOUJDTFPW-UHFFFAOYSA-N 436.891 5.813 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCc4ccc(C(=O)OC(C)C)cc4)ccc3C2=O)c1 2324605308 BJTPJFHTAQGNJD-UHFFFAOYSA-N 428.484 5.755 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OCc3ccc(C(=O)OC(C)C)o3)c2C)C1=O 2325388127 ZLYGMPMSJFNIRE-UHFFFAOYSA-N 432.472 5.657 30 10 IKEE CCCCOc1ccc(C=Nn2c(C)nnc2SCc2ccccc2F)cc1OCC 2325630981 CRBZERORQYKVAL-UHFFFAOYSA-N 442.560 5.478 30 10 IKEE CCCCC1CCC(C(=O)Oc2cc(C=CC(=O)c3ccc(C)cc3)ccc2OC)CC1 2325737653 RULZWHXOTBERAU-UHFFFAOYSA-N 434.576 6.802 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1cccc(C=CC(=O)c2ccc(F)c(C)c2)c1 2325741971 PCESVNFGFKQLCW-UHFFFAOYSA-N 434.463 5.413 30 10 IKEE COc1ccc(C=CC(=O)c2cccc3ccccc23)cc1OC(=O)COc1ccccc1 2325749233 WTJUFBSODVDOIF-UHFFFAOYSA-N 438.479 5.729 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1OC(=O)CCCSC 2325773230 UKOKKQGFQGPZNQ-UHFFFAOYSA-N 439.360 5.947 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccccc1F 2326018053 OKHBFNPPZJWROH-UHFFFAOYSA-N 430.936 5.243 30 10 IKEE Cn1cccc1C=Nn1c(COc2ccccc2Cl)nnc1SCc1ccccc1 2327649413 RLOOJHGMFDHMQT-UHFFFAOYSA-N 437.956 5.024 30 10 IKEE C=CCSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1ccccc1OC(C)C 2328568624 NSROTZJOMXOGFF-UHFFFAOYSA-N 436.581 5.215 30 10 IKEE Cc1cccc(OCc2nnc(SCc3ccccc3F)n2N=Cc2cccnc2)c1C 2328848199 SRFFAJYUNCMGLE-UHFFFAOYSA-N 447.539 5.183 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1ccc(C(C)C)cc1 2328945834 VZLSXNDRJDFDQX-UHFFFAOYSA-N 432.637 6.354 30 10 IKEE COc1ccc(Cc2nnc(SCc3cccc(C)c3)n2N=Cc2cccc(O)c2)cc1 2329252517 CRBTYDQVMAKPQR-UHFFFAOYSA-N 444.560 5.066 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2C)n1N=Cc1ccc(C(F)(F)F)cc1 2329484213 BICUCZDBEKPQPO-UHFFFAOYSA-N 444.526 5.941 30 10 IKEE CC[C@@H](C)N(C(=O)C=Cc1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2329631914 NLRIZMMAUGQNJW-CYBMUJFWSA-N 433.367 6.708 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccncc1 2330136713 FPCWTFMUJPJVEB-QGZVFWFLSA-N 433.968 5.653 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(CC(C)(C)C)n2N=Cc2ccccc2)c1 2330804536 OERCKIZNCDYESJ-UHFFFAOYSA-N 435.597 5.097 30 10 IKEE CCCOC(=O)CSc1nnc(CC(C)(C)C)n1N=Cc1ccc(Cl)cc1Cl 2330881186 NXXJESSESQUYIR-UHFFFAOYSA-N 443.400 5.101 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2ccc(C)cc2)nnc1[C@@H]1CCCO1 2330889720 VRBCYDFAOGRMQV-QFIPXVFZSA-N 436.581 5.401 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCCc3ccccc3)nnc2C2CCCC2)cc1 2331077856 ARTJBHINWPMXMM-UHFFFAOYSA-N 447.652 5.999 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OC(=O)c1ccc([N+](=O)[O-])cc1 2331158247 UKSKGOVKIGQCPD-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)c3cccc(C)c3)c([N+](=O)[O-])c2)c1 2331386683 ZZZYSSZMPQOREO-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)c3sccc3C)c(OC)c2)c1 2331394403 CRPMLFIRJNBTAT-UHFFFAOYSA-N 438.501 5.198 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3)c(Cl)c2)cc1 2331414322 WWRPUMYMEWVAAF-UHFFFAOYSA-N 436.910 6.892 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1F 2331451215 BXIRUSLHSNWMPJ-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE C=C(C)CSc1nnc(CC(C)C)n1N=Cc1ccc(OCCCCCC)c(OC)c1 2331453437 SYMRDRREQTYKNI-UHFFFAOYSA-N 444.645 5.995 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1cccc(O)c1 2331471067 KCRLOABQEWJCEW-UHFFFAOYSA-N 435.380 5.664 30 10 IKEE O=C(CCCOc1ccccc1)Oc1ccc(C=CC(=O)c2ccc(F)cc2)cc1Cl 2331520820 JWYRNQTZRGEQKH-UHFFFAOYSA-N 438.882 6.140 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(C)C)n2N=Cc2ccc(C(F)(F)F)cc2)c1 2331699363 HIPJUWCGOOJNBA-UHFFFAOYSA-N 432.515 6.212 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1[N+](=O)[O-] 2331707328 PRSXMBAYDDCHSB-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE N#Cc1cc(NCc2ccc(Cl)cc2I)ccc1Br 2341043060 IIPZZNKPXAOWBZ-UHFFFAOYSA-N 447.501 5.191 30 10 IKEE CC1(C)OB(c2ccc(CSc3cccc(Cl)c3)cc2Br)OC1(C)C 2349836223 ZGEXJAGOATWPNO-UHFFFAOYSA-N 439.611 5.694 30 10 IKEE O=[N+]([O-])c1cc(/C=N/c2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)ccc1Cl 1881414 RRYSWENITSUWEL-YSURURNPSA-N 446.677 7.114 30 10 IKEE CCCCCCCCNC(=O)c1cccnc1SCc1cccc(Br)c1 3021375 SHQQTRDTOJVXLW-UHFFFAOYSA-N 435.431 6.227 30 10 IKEE CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@](C)(C=O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 4099147 HCOOTBJPHHNRCV-AQTSNUJDSA-N 428.701 7.204 30 10 IKEE in-vitro,metabolite C=C(C)CN1C(=O)COc2cc(NC(=O)CCCOc3ccc(Cl)cc3Cl)ccc21 12081503 LYJNOQCADIDYNC-UHFFFAOYSA-N 449.334 5.093 30 10 IKEE C=CCOc1ccccc1CN1CCC(n2nccc2NC(=O)Nc2ccccc2C)CC1 12594733 XSEOLWXHTMRSDN-UHFFFAOYSA-N 445.567 5.237 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2ccc(C(=O)/C=C/c3c(F)cccc3Cl)cc2)cc1 34954729 ZRBLHXXFEICXMR-FOCLMDBBSA-N 436.910 6.892 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2CCc2ccccc2)cc1 35444928 ZFRHPLRJKGWXTF-BDYUAGHOSA-N 437.539 5.470 30 10 IKEE COc1ccc(OC)c(/C=C2\S/C(=N/c3nc(C)cs3)N(c3ccccc3)C2=O)c1 39865471 WDNSBQIVGCENSG-QLIPUSLZSA-N 437.546 5.277 30 10 IKEE O=C1/C(=C/c2ccccc2)S/C(=N/c2nc(-c3ccccc3)cs2)N1C1CCCCC1 39866008 WAZSLQVQMTZCKS-BQDIORIJSA-N 445.613 6.747 30 10 IKEE Cc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=S)Nc1ccccc1)CCC2 40825239 VFUBHFRFSDYBAX-ZXVVBBHZSA-N 432.549 5.176 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(C(C)(C)C)cc4)c3C)C2=O)cc1 41288477 BYJNNGDCQQSKRB-UQQQWYQISA-N 440.539 6.690 30 10 IKEE Cc1ccc(-c2csc3nc(-c4ccc(C)cc4)n(Cc4cccc(C#N)c4)c(=O)c23)cc1 96532624 WSFVXTGWPYJMKR-UHFFFAOYSA-N 447.563 6.329 30 10 IKEE CCCCCCCCCCCCCCCCCCNc1ccnc2cc3ccccc3cc12 97996981 FKWYLERBBUYMGC-UHFFFAOYSA-N 446.723 10.061 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)CNc1ccc(OCCOC)cc1 100079958 CQEBRTNIYBMUKA-UHFFFAOYSA-N 448.692 6.721 30 10 IKEE COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C/C=C/c2ccccc2OC)C3=O)c1 103018922 GJIBXGDDPKVINT-RROQIJDCSA-N 428.440 5.095 30 10 IKEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccccc2Cl)cc1 103090517 XADIILSENQXNOH-UGUGFTGJSA-N 431.919 5.313 30 10 IKEE COc1cc(/C=N\Nc2nc(C)cs2)ccc1OCc1ccc(Br)cc1 169942293 PTXMUEZYHKOVAM-FBHDLOMBSA-N 432.343 5.248 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1c1cccc(C)c1C 169944167 YZWGHRJSWYMQDD-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccccc2)cc1 170047896 NVGVCQVLMMVENQ-QFIPXVFZSA-N 432.907 5.189 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 170064343 CGUSSVNZXIYZML-HXUWFJFHSA-N 443.808 5.540 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc(O)c2)cc1 170079489 OFMGCHUSSKBRPP-HSZRJFAPSA-N 447.918 5.952 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccco2)cc1 170090826 MPYYORHMMZSMSZ-NRFANRHFSA-N 435.907 6.013 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1cccs1 170154202 GURXFAQSWUMTMK-LJQANCHMSA-N 439.558 5.214 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1cccs1)c1cc2ccccc2o1 170166936 NSZYENQCXDFOCE-OAQYLSRUSA-N 433.460 5.412 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1cccc(OCC)c1 170218525 DPGCQXNHSBHADD-BXKMTCNYSA-N 449.547 5.177 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1cccc2ccccc12 170221185 BBSYQGYUBZRMJV-RUZDIDTESA-N 441.571 6.434 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccccc2)c(OC)c1 170226801 IGQDXGZOTAXVRT-JOCHJYFZSA-N 449.890 5.140 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccccc2)c(C)c1 170228252 VIWFHRRPKOKUHI-CJAUYULYSA-N 439.511 5.410 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(C(C)C)cc2)c1 170246106 HXPWELQKORRFNI-XMMPIXPASA-N 433.548 5.730 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1c[nH]c2ccccc12 170256368 ICEGIHBOXQBQGO-QHCPKHFHSA-N 444.531 5.314 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@@H]1c1cccc(O)c1 170262836 PYRJRTQTHKDKAB-QFIPXVFZSA-N 437.536 5.077 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)cc(OC)c3o2)[C@@H]1c1ccco1 170295024 FZCPPLCGEFTQMD-IBGZPJMESA-N 443.883 5.456 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(C)o2)cc1C 170299804 LZOQMEUWXLUZKR-QHCPKHFHSA-N 449.478 5.607 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@H]1c1ccc(C)o1 170302500 JSFRKYQVRDSDKM-QHCPKHFHSA-N 431.488 5.305 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@H]1c1ccc(Cl)cc1)c1ccncc1 170375249 INJIOTJMAYPJPR-IBGZPJMESA-N 443.261 5.310 30 10 IKEE COc1cccc2c(C)cc(-n3ncc(C#N)c3Nc3nc4cc(C(C)C)ccc4o3)nc12 170547655 QOFIYDXIWPHMIS-UHFFFAOYSA-N 438.491 5.617 30 10 IKEE O=C(/C=C/Nc1cc(Cl)ccc1C(=O)c1ccccc1)c1ccc(Br)cc1 210032554 NKXOXRMEJUIMEZ-OUKQBFOZSA-N 440.724 6.142 30 10 IKEE C=CCn1c(SCC(=O)Nc2cccc(F)c2C)nnc1C12CC3CC(CC(C3)C1)C2 253573612 RPZGBGQYRUQQFU-UHFFFAOYSA-N 440.588 5.110 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccc(Cl)c2)cc1 526605711 ZIRLWLKKWNAKOI-XMMPIXPASA-N 444.918 6.058 30 10 IKEE Cc1cc(C)cc(CSc2nnc(C)n2/N=C\c2ccccc2COc2ccccc2)c1 526810134 ZCPNVRKZXBIACF-YUMHPJSZSA-N 442.588 5.957 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@@H](C#N)c1c(F)cccc1Br 698869770 NRXXMJLYXUGUIE-INIZCTEOSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)CC1(C)C 698910505 NUFVZBNZJNAQFU-HSZRJFAPSA-N 449.617 5.557 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)CCSc2n[nH]c(NN=Cc3ccc(F)cc3)n2)cc1 1084328542 WHQGMNWUNQCCKK-HNNXBMFYSA-N 440.548 5.024 30 10 IKEE C=CCN(CC=C)C(=O)Oc1cccc2c(NC(=O)/C=C/c3ccc(F)cc3)cccc12 1858949309 CUVDWAXAFHBSJV-DTQAZKPQSA-N 430.479 5.804 30 10 IKEE N#Cc1ccccc1NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)n(-c2cccc(Cl)c2)n1 1859412388 ZDVFRSRRVWBWKJ-UHFFFAOYSA-N 443.850 5.225 30 10 IKEE CCCCCCCCCCn1c(C)cc(OCCCOc2ccc(OC)cc2)cc1=O 1860784721 BANLXKPUOGXXMO-UHFFFAOYSA-N 429.601 6.154 30 10 IKEE CCCCCCCCCSc1nc(-c2ccc(-c3ccc(OC)cc3)cc2)cs1 1860816975 OGGTWHCSXDIGHM-UHFFFAOYSA-N 425.663 8.328 30 10 IKEE CCCCCCCCNC(=O)[C@H](NC(=O)c1ccccc1Br)[C@H](C)CC 1861025177 JGVHGJLGZCRFCT-VQIMIIECSA-N 425.411 5.070 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2C)cc1 1862389707 LQNQMIGWNLPMFU-VWLOTQADSA-N 440.543 5.511 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(C)cc2)cc1 1862389850 PJBCCWOEMIVRQY-RUZDIDTESA-N 431.576 6.249 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccccc2Cl)cc1 1862395035 MVWCIZQWILCNQP-QHCPKHFHSA-N 439.983 6.307 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCC(C)C)c1 1862404456 SGJIKQKUORYNMB-HSZRJFAPSA-N 437.536 5.027 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CC(C)C)c1 1862404557 DTXGQNQPMYNVHY-QHCPKHFHSA-N 437.536 5.027 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862431657 LVMZYMKDXFMNQG-QHCPKHFHSA-N 449.909 5.820 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(OC)c1 1862448132 GQMBZQVEXRSUNL-NRFANRHFSA-N 443.927 5.213 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccccc1F 1862457228 LKADZVMWSTVDIZ-CECALHEMSA-N 447.428 5.400 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862489124 PYBUUMRNAXUYGD-AREMUKBSSA-N 443.587 6.335 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@@H]2c2ccc(F)cc2)c1 1862489954 KYAGIVOFXXLJMP-HSZRJFAPSA-N 449.909 5.874 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 1862491836 CSWMIEJMXLVLAV-JOCHJYFZSA-N 434.492 5.123 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc3c(c2)CCCN3C)c1 1862498959 VCNQWYNUXOLXTC-VWLOTQADSA-N 446.591 5.310 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1cccc2ccccc12 1862528078 MWBVVGXZEGDSLY-NRFANRHFSA-N 448.316 5.367 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc2c(c1)CCCN2C 1862539630 ZRSRVTZGBKXNMN-RUZDIDTESA-N 446.591 5.400 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cc(Cl)cc(Cl)c1 1862553930 QRVCPHFTJXOHRW-NRFANRHFSA-N 444.358 5.859 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2ccccc2C)cc1 1862554447 CYQIWMJYLHOKAB-IQGLISFBSA-N 440.543 5.479 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1cccc(Cl)c1 1862558551 ZDPWBTKZVWQFBM-QRQCRPRQSA-N 432.907 5.262 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccccc1F 1862614649 CEWRLRYEGHQRES-CUHUQNRHSA-N 449.566 6.280 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccccc1)c1cccc2ccccc12 1862649219 SSQAGOIWCNTZKE-VWLOTQADSA-N 425.528 6.141 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(O)cc1 1862650539 YDLKUQJKSOIUMX-LAMXGVLKSA-N 441.527 5.702 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C2CC2)c1 1862655472 JEXKHQMDLMINAA-DEOSSOPVSA-N 427.500 5.369 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(OC)c(OC)c1 1862668633 DEKXPMRLMUWAND-QHCPKHFHSA-N 437.536 5.206 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2Cc2cccs2)cc1 1862713727 UYOLLMBRUCQLNI-XMMPIXPASA-N 439.536 5.988 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1F 1862714396 BQSSMAWNVGRHLD-DEOSSOPVSA-N 431.507 6.138 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862720273 USMNUTMIZQZIIN-VWLOTQADSA-N 441.571 6.372 30 10 IKEE CC(C)c1nc(Nc2ccc(C#N)cc2)cc(N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)n1 1868242137 HVFMVUQDCKEGDS-DEOSSOPVSA-N 439.607 6.854 30 10 IKEE CCc1nc(Nc2ccc(C#N)cc2)cc(N2CCC(=O)c3cc(C(C)(C)C)ccc32)n1 1868291170 JYCMIGIJFOKYDJ-UHFFFAOYSA-N 425.536 5.676 30 10 IKEE CC(C)[C@H]1c2[nH]cnc2CCN1c1cc(Nc2ccccc2C#N)nc(-c2ccccc2)n1 1868373711 ZVDQAEVSPSDYOV-VWLOTQADSA-N 435.535 5.242 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccccc1)NC(=O)C[C@H](c1ccc(C)c(C)c1)C1CC1 1868688311 FXSOQQNTZCDLLL-RRPNLBNLSA-N 444.619 5.115 30 10 IKEE CC(C)c1cc(C(C)C)cc(-n2nnc(C#N)c2NC(=O)/C=C\c2ccc(Cl)cc2)c1 1870141094 ZCBLLYWAJFVCBB-YFHOEESVSA-N 433.943 5.691 30 10 IKEE CCCCCCCCCCn1cc(OCCCCCC)c(=O)cc1CN(CC)CCO 1870673700 WMCYQFQHUTUZLX-UHFFFAOYSA-N 436.681 5.762 30 10 IKEE CCCCCCCCCCn1cc(OCCO)c(=O)cc1CNc1cccc(N(C)C)c1 1870791573 BXSXGHOCMYJDGU-UHFFFAOYSA-N 443.632 5.038 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)c(Cl)c2)c(=O)cc1CNc1ccc(CC)cc1 1870825754 GQZFNQDOLSITPQ-UHFFFAOYSA-N 443.374 6.095 30 10 IKEE CCCCCCCCn1cc(OCC(=O)NCCC)c(=O)cc1CNc1ccccc1C 1871134948 NJMWFXBEQVDLBG-UHFFFAOYSA-N 441.616 5.034 30 10 IKEE CCN(CC)CCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1cccc(Cl)c1)C3=O 1871349843 XEVIIRNWTVBSRW-HMAPJEAMSA-N 440.971 5.148 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc4c3CN([C@H]3CCCC[C@H]3C)CO4)C2=O)cc1OC 1871350831 WSRZWJAWDVQEQN-JZJVAAIPSA-N 435.520 5.051 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccs2)C3=O)cc1 1871389076 ISQYJRMAFWDFBC-MOSHPQCFSA-N 434.469 5.207 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1cc(C)c2c(c1)O/C(=C\c1ccccc1C)C2=O 1871429129 IYXLLMUTOKDUNL-RRDPUDRWSA-N 436.548 6.201 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccc(C(C)C)cc3)cc(C)c2C1=O 1871435554 RIXAGVJBGAPKGM-QFEZKATASA-N 441.527 6.061 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cccc(F)c1)[C@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1871989149 PNLLRAAORQFVRJ-WZONZLPQSA-N 446.588 5.063 30 10 IKEE C=CCN([C@@H](C(=O)Nc1cccc(Cl)c1)C(C)C)S(=O)(=O)c1c(C)cc(C)cc1C 1872225339 TZCGAFVTLNYNDF-OAQYLSRUSA-N 449.016 5.105 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cccc(C)c1)[C@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872267282 FNGNHVYNVGOEBS-NTKDMRAZSA-N 442.625 5.232 30 10 IKEE C=CCN([C@@H](CCC)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1cc(C)ccc1C 1872456504 IVSADXLILGZAQY-NRFANRHFSA-N 449.016 5.249 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cc(C)ccc1C)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872571290 GLYCOQKPVSRAQH-RDPSFJRHSA-N 442.625 5.232 30 10 IKEE N#C[C@H](C(=O)c1ccc(-c2ccccc2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872762083 CQKQXVVUZJQCRI-HXUWFJFHSA-N 449.362 7.274 30 10 IKEE N#C[C@H](C(=O)/C=C/c1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(F)cc2F)cs1 1872767642 XBEIYEFITBTWCM-HSVJCBRXSA-N 435.282 6.285 30 10 IKEE COc1ccc(OC)c(-c2csc([C@@H](C#N)C(=O)Cc3ccc(OC(C)C)cc3)n2)c1 1872771083 LZHZKLQTIYDNGD-FQEVSTJZSA-N 436.533 5.033 30 10 IKEE COC(=O)c1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)cc1 1872778084 CTYMSZVODMZPSY-WUTDNEBXSA-N 446.528 5.112 30 10 IKEE COc1ccc(OC)c(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)c1 1872778202 GLOVDDVOFZESKM-ZGBFETHSSA-N 448.544 5.342 30 10 IKEE C=CCc1ccccc1OCc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 1872858990 DUCFULBFUUTSBL-UHFFFAOYSA-N 445.868 6.919 30 10 IKEE CCCCCCCCN1CC(=O)C(c2nc(-c3ccc(OC)cc3OC)c(C)s2)=C1N 1873528084 GBDCHVQGLOWDBE-UHFFFAOYSA-N 443.613 5.008 30 10 IKEE CCCCCCCCNc1ncnc2c1ccc(=O)n2-c1ccc(Br)cc1 1873537196 FVARCWSAHFGZDW-UHFFFAOYSA-N 429.362 5.316 30 10 IKEE CCCCCCCCCCNC(=O)c1cc2c(N3CCCC3)ncnc2n1CC(C)C 1873578940 UUOMANSZZGQGRW-UHFFFAOYSA-N 427.637 5.558 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(OCCCCCC)cc2)cc2c(NCC(C)C)ncnc21 1873602451 ANYSBNOOLOBCSJ-UHFFFAOYSA-N 449.599 5.897 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(Cl)c2)cc2c(NCCc3ccc(C)cc3)ncnc21 1873616896 MVLUDRPKIGYEHV-UHFFFAOYSA-N 445.954 5.486 30 10 IKEE C=CCn1c(C(=O)Nc2cc(Cl)ccc2C)cc2c(NCCCCCC)ncnc21 1873638732 IFISJHKNBUBBAS-UHFFFAOYSA-N 425.964 5.824 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C(F)(F)F)cc2)cc2c(N3CCC[C@@H](C)C3)ncnc21 1873658059 XWVSROPRNUYPFE-OAHLLOKOSA-N 443.473 5.125 30 10 IKEE CSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1ccc(C(C)C)cc1 1874201516 GDJWJRAMFXZGKZ-CVKSISIWSA-N 436.625 6.191 30 10 IKEE CCOc1cccc(/C=N/n2c(CCCOc3ccc(CC)cc3)nnc2SCC)c1 1874222737 AOIFJPVANZPMFH-XIEYBQDHSA-N 438.597 5.245 30 10 IKEE C=C(C)CSc1nnc(COc2cccc(C)c2C)n1/N=C/c1c[nH]c2ccccc12 1874323331 JWRDWCZUCSRDON-LGJNPRDNSA-N 431.565 5.506 30 10 IKEE Cc1cccc(CSc2nnc([C@H](C)c3ccccc3)n2/N=C/c2ccc(O)cc2O)c1 1874393579 QPYOVQOJIOWHJH-GTPWMTBTSA-N 444.560 5.324 30 10 IKEE Clc1ccccc1CSc1nnc(CC2CCCCC2)n1/N=C/c1cccnc1 1874408318 QHEKWXCMZJFTKY-MFKUBSTISA-N 425.989 5.624 30 10 IKEE Cn1cc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2)c2ccccc21 1874416902 ODNLYMNOWYVILS-WPWMEQJKSA-N 437.572 5.535 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3)n2/N=C/c2ccc(O)cc2)c1 1874416938 PMROYYMSFNGERD-WGOQTCKBSA-N 428.561 5.366 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2cccs2)cc1C 1874452098 DDUZYTQNUBFFES-YDZHTSKRSA-N 439.610 5.227 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2C2CCCC2)c1 1874455818 MIJFUQSWKYNIMB-WGOQTCKBSA-N 434.609 6.126 30 10 IKEE CCCOC(=O)CSc1nnc(C2CCCC2)n1/N=C/c1c(Cl)cccc1Cl 1874458127 XZUYJCKFLFOLLG-SSDVNMTOSA-N 441.384 5.170 30 10 IKEE COCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1cccc(C)c1 1874474823 VAASPAYWTCYPMJ-FSJBWODESA-N 435.380 5.257 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874476551 QGTTVSVCCQYIKO-PCLIKHOPSA-N 438.597 5.591 30 10 IKEE Fc1ccccc1CSc1nnc(C2CCC2)n1/N=C/c1ccc(Cl)cc1Cl 1874495910 LGZMFCIMQQBWRX-BHGWPJFGSA-N 435.355 6.166 30 10 IKEE Cc1ccc(CSc2nnc(C3CC3)n2/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1874517155 UBTCZSYTBXWGRJ-SSDVNMTOSA-N 427.917 5.200 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(CC)n1/N=C/c1cccc2ccccc12 1874522186 GXAAAMWCOCGUGJ-WGOQTCKBSA-N 443.576 5.169 30 10 IKEE C=C(C)CSc1nnc(CC)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1874526731 DACANLMLHOBFNQ-ZMOGYAJESA-N 426.973 5.623 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1/N=C/c1ccccc1 1874541501 DBUDMTHLFRZRGD-BUVRLJJBSA-N 447.391 5.757 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/n2c(S)nnc2C2CCC2)cc1OCC 1874559181 BRIARIXLSNCQOE-XIEYBQDHSA-N 444.645 6.245 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Br)ccc1OCc1ccccc1F 1874575632 XWQPZYOXNVHUPT-ZRDIBKRKSA-N 441.296 6.072 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2c(Cl)cccc2Cl)cc1 1874576024 SYWFDRZYPZWQAT-SDNWHVSQSA-N 443.326 6.486 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(OC)cc2)o1 1874576120 XNOMIQXWOQACQN-IZZDOVSWSA-N 440.879 5.593 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccccc2OCc2ccc(Cl)cc2)cc1C(C)C 1874585079 KQQWHPWMNBTTGQ-SDNWHVSQSA-N 434.963 7.256 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C)c(C)c2)c1OCC(=O)Nc1ccc(C)cc1C 1874587722 APQIUXJGSOKBOR-WYMLVPIESA-N 443.543 5.842 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1Cl 1874590475 CHAGHZOUXPQNGQ-RUDMXATFSA-N 447.745 7.131 30 10 IKEE CCOc1c(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc(Br)cc1OC 1874590618 OVMNWKDTHVFDET-PKNBQFBNSA-N 431.370 6.358 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3ccc(C(=O)OC)o3)c2)cc1 1874593307 CSSOFXSEEVSASX-NTEUORMPSA-N 448.515 5.893 30 10 IKEE O=C(COc1cccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c1)Nc1ccc(F)cc1 1874593949 KBJNHEITNDISSN-OVCLIPMQSA-N 429.491 5.618 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3c(C)cccc3C)c(Cl)c2)cc1 1874604568 UQUNKRVYJROBOA-GXDHUFHOSA-N 447.962 6.433 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cc(OC)c(OCCc3ccccc3)c(OC)c2)c1 1874618964 BWUSZUXUJZUUGK-ZRDIBKRKSA-N 448.515 5.239 30 10 IKEE CCCOc1c(Br)cc(/C=C/C(=O)c2cc(OC)ccc2OC)cc1OC 1874619154 MDSSTGYMVBTMAL-SOFGYWHQSA-N 435.314 5.160 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 1874619717 ORDCOYKNEFAQDX-UXBLZVDNSA-N 437.879 6.040 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)OCC(C)C)c(Cl)c2)cc1Cl 1874635977 CPIBONRELMSQCT-QPJJXVBHSA-N 437.319 5.476 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc(Cl)c1OCCCO 1874639279 RTEHMFHKYDQMCK-FNORWQNLSA-N 425.308 5.058 30 10 IKEE CCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 1874654975 MEJRIUWAKOXERW-SANMLTNESA-N 447.623 5.305 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(F)c(C)c3)c2)c1 1874703960 PNNFXJASFGYCTD-YRNVUSSQSA-N 434.463 5.196 30 10 IKEE CCC(=O)Oc1cc(/C=C/C(=O)c2cccc3ccccc23)c(Br)cc1OC 1874707954 FOQQVVPOBRRCKK-VAWYXSNFSA-N 439.305 5.822 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OC(=O)Cc1ccccc1[N+](=O)[O-] 1874713960 XEKDGRORGYQGJF-FMIVXFBMSA-N 445.471 5.264 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2cccc(OC(=O)c3cnc(C)cn3)c2)cc1Cl 1874717044 WNQRBBVNKYDOKD-VOTSOKGWSA-N 443.286 5.216 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccccc2OCC)CSc2nnc(C3CC3)n21 1874845521 JARRDUALWGNBPD-FQEVSTJZSA-N 442.629 5.616 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)ccc1OC(=O)c1ccc(F)cc1F 1875103420 XZODEBVMIGYGSR-NTUHNPAUSA-N 436.454 6.041 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc(F)cc1F 1875104975 XMQBVXHSEJJMCJ-XCVCLJGOSA-N 433.237 6.387 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(OC)c(OC(C)=O)c(OC)c2)cc1OCCC 1875123930 LDRIKEXTBQNHTJ-CSKARUKUSA-N 442.508 5.103 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Br)c1OC(=O)C(C)C 1875140574 NDLGESPKEYJYIM-CMDGGOBGSA-N 431.326 5.532 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2ccc(C)cc2)c(Cl)c1 1875143201 OBRVKDXQUAHARC-PKNBQFBNSA-N 434.919 6.010 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3OC)cc2)cc1 1875143702 MRZKUWRONAZEKA-XNTDXEJSSA-N 430.500 5.447 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cncc(C)c3)c(Cl)c2)cc1F 1875153106 PUZIAWAWVLTMLR-ZZXKWVIFSA-N 425.843 5.306 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccccc2F)cc1 1875168382 ZRNHKTRQBIDAJL-DHZHZOJOSA-N 445.273 6.256 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)cc2)c(OC)c1 1875178986 NTLKXRGCZAJCBS-BJMVGYQFSA-N 446.543 5.722 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc([N+](=O)[O-])c1OC(=O)C(C)C 1875183709 OYFUZKLNYZIEBU-CMDGGOBGSA-N 425.481 5.376 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc(OC)c1OC(=O)CC(C)C 1875185263 OTLYAZNFUKHALN-WYMLVPIESA-N 448.603 6.877 30 10 IKEE CCCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc1OC 1875190818 SEBCOIDKGPXFAW-WYMLVPIESA-N 448.515 5.857 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3oc4ccc(Cl)cc4c3C)cc21 1890807899 COZRAELQAXVLIK-UHFFFAOYSA-N 438.911 5.585 30 10 IKEE O=C(NCc1ccc(OC(F)(F)F)cc1)c1cccc(C(F)(F)F)c1C(F)(F)F 1892144313 XKYAEWSUZDTVJP-UHFFFAOYSA-N 431.254 5.553 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C12CC2 1925711285 WXJBCFMQWQJOQJ-HSZRJFAPSA-N 431.508 5.003 30 10 IKEE C#Cc1cccc([C@H](CCC(=O)O)CNC(=O)OCC2c3ccccc3-c3ccccc32)c1 1952246689 XCZCLOKEZLBZOG-OAQYLSRUSA-N 439.511 5.155 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C)([C@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)C1 1992797959 RYWAUIUSEFXWKP-JTSKRJEESA-N 435.590 5.024 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@](C)(C#N)[C@@]1(C)CCN1C(=O)OC(C)(C)C 1999898827 XIWIJEJZKNACDC-DNQXCXABSA-N 435.609 5.628 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 1999945236 SAYRABQCOAWUAN-MWTRTKDXSA-N 433.524 5.106 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@](C)(C#N)CSC(C)(C)C 2028151062 GBGDBZXMDVCYIU-IBGZPJMESA-N 427.408 6.005 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC[C@]2(C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 2032047164 ZBZNOPKAXZSABW-LSRZYVKLSA-N 445.535 5.106 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@H]1CCCCN1C(=O)OC(C)(C)C 2032406648 UGVVJCSGDIVSQJ-MJGOQNOKSA-N 445.560 5.118 30 10 IKEE C[C@@H](c1ccc(C(F)(F)F)cc1F)n1nc(C2CCC2)c(C=NO)c1Br 2079929652 YALLOHVIESDLSJ-VIFPVBQESA-N 434.231 5.488 30 10 IKEE CC(C)c1nn2c(Cl)c(C#N)cnc2c1-c1ccc(C(F)(F)F)c(Br)c1 2081215708 MGMBRZCMLFLQAX-UHFFFAOYSA-N 443.654 5.826 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 2082159731 CRBUAZJNYOKAKW-MPCDZSKCSA-N 443.588 5.712 30 10 IKEE N#Cc1ccc(NCc2ccc(Br)cc2Br)c(Br)c1 2092165751 DASCCSLLHRTQEP-UHFFFAOYSA-N 444.952 5.458 30 10 IKEE N#C[C@@H](Nc1cccc(Br)c1)c1c(Br)cccc1Br 2094994179 DNTMGVQYJYYSKM-CYBMUJFWSA-N 444.952 5.651 30 10 IKEE C=CCN(C[C@H](Cc1ccc(Cl)c(Br)c1)NCCC)C(=O)OC(C)(C)C 2110503461 KCEBJCYSVHOMBY-INIZCTEOSA-N 445.829 5.436 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1cnc(C2CC2)s1 2116333497 MSIIHDCMSATBHB-HNNXBMFYSA-N 434.359 5.789 30 10 IKEE C=CCN(CC[C@@H](NCCC)c1cccc(Br)c1Cl)C(=O)OC(C)(C)C 2136583137 CYGDHBPEUAFZOE-QGZVFWFLSA-N 445.829 5.956 30 10 IKEE C=CCCCC[C@@H](NCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2179678341 DCHOGXWMTGNYBC-WOJBJXKFSA-N 439.438 5.609 30 10 IKEE CC(C)(C)OC(=O)NC(C)(C)[C@H]1CCCCN1c1cc(Br)c(C#N)cc1F 2208032073 FTYPZBQARKMFTR-QGZVFWFLSA-N 440.357 5.122 30 10 IKEE C=CCCCCC[C@@H](N)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229138807 SQWHFEDYHGRAAA-MOPGFXCFSA-N 425.411 5.349 30 10 IKEE C=CCCCC[C@H](NCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237397554 DCHOGXWMTGNYBC-PMACEKPBSA-N 439.438 5.609 30 10 IKEE CC#CCCCC[C@@H](NC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237405664 UNGAMZUBDOTFRC-UXHICEINSA-N 437.422 5.057 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)C(=O)C1=CCCCCCC1 2237425989 ZTPPXILWFRNHRT-IBGZPJMESA-N 436.390 5.735 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1c(NC(=O)OC(C)(C)C)cccc1OC 2256265014 LQTYUHLKRMRGFP-DEOSSOPVSA-N 440.584 5.856 30 10 IKEE CC#CCCCC[C@H](NCCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2256693471 DRLDSOFHOFBIBX-DEOSSOPVSA-N 442.644 5.392 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CSc1ccc(C#N)c(Br)c1F 2260367573 JHMJRXLJFAXTQE-DGCLKSJQSA-N 429.355 5.197 30 10 IKEE O=C(C#Cc1cccc(Br)c1)c1cc(Br)sc1Br 2264141858 RBNNOIGFGCQUQX-UHFFFAOYSA-N 448.961 5.270 30 10 IKEE C=CCN(CC[C@@H](NCCC)c1sc(Br)c(C)c1C)C(=O)OC(C)(C)C 2265887730 FJXGXXOJVQLJOZ-MRXNPFEDSA-N 445.467 5.981 30 10 IKEE C=CCCC1([C@@H](N)Cc2cccc(Cl)c2Br)CN(C(=O)OC(C)(C)C)C1 2266302268 OQWBJQDSWZACNH-INIZCTEOSA-N 443.813 5.176 30 10 IKEE CCN[C@@H](C#CC1CCCCC1)c1cc(Br)ccc1I 2289787730 AEDZLZCOIBBWQC-KRWDZBQOSA-N 446.170 5.288 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)CC(C)(C)CNC(=O)OC(C)(C)C 2296218927 JMFYVCQIQQIENW-LJQANCHMSA-N 437.422 5.110 30 10 IKEE C[C@H](CC(=O)C#Cc1cccc(Br)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2296222341 QXYKORUKURQOGE-SJLPKXTDSA-N 434.374 5.043 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1c(F)cccc1Cl)C2=O)c1ccc([N+](=O)[O-])cc1 2296867540 WPSMDUNFYWSLRB-UHFFFAOYSA-N 439.782 5.223 30 10 IKEE C=CCOc1c(Br)cc(C=C2N=C(c3ccccc3Cl)OC2=O)cc1OC 2297328105 WARDWQJBJWWNRL-UHFFFAOYSA-N 448.700 5.020 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(=C(O)c3cccs3)C(=O)C(=O)N2Cc2cccnc2)cc1 2297747769 RTVNIEMZFPPXBH-NRFANRHFSA-N 432.545 5.063 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2308985144 NGVKMMMPOLTLRU-PSRXAIMNSA-N 447.620 5.532 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)CSc2n[nH]c(NN=C(C)C=Cc3ccccc3)n2)cc1 2313602116 MGHIRDILGNCZOX-KRWDZBQOSA-N 448.596 5.550 30 10 IKEE COc1ccc(OC)c(C=CC(=O)c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 2314430051 VFIWSCFGMFLOAX-UHFFFAOYSA-N 444.527 6.117 30 10 IKEE N=[S@](=O)(O)c1ccc(-c2ccc(C=C3SC(=O)NC3=Nc3ccc(O)cc3)o2)cc1 2314482488 MBNBYVKRXHPXHL-UHFFFAOYSA-N 441.490 5.058 30 10 IKEE Cc1c(OCc2ccc(Cl)c(Cl)c2)ccc2c1OC(=CC=Cc1ccccc1)C2=O 2321790276 MJTOWLSRXDZLCP-UHFFFAOYSA-N 437.322 7.053 30 10 IKEE CCCCCOc1ccccc1C=Nn1c(S)nnc1CCCOc1ccc(C)cc1 2322166887 NHNJERXJMNBAJU-UHFFFAOYSA-N 438.597 5.338 30 10 IKEE Cc1ccc(C)c(CN2COc3cc(C)c4c(c3C2)OC(=Cc2ccccc2C)C4=O)c1 2322170998 QKDCSRBVEYTIAD-UHFFFAOYSA-N 425.528 5.889 30 10 IKEE CCCCCCCCN1COc2ccc3c(c2C1)OC(=Cc1ccc([N+](=O)[O-])cc1)C3=O 2322188294 CAOXTSWFIOPAFJ-UHFFFAOYSA-N 436.508 5.723 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2cc(C)ccc2C)c1OCC(=O)Nc1ccccc1 2322617346 DGENUISDVDHNRO-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(F)c(C)c2)c1OCc1c(F)cccc1Cl 2322638083 HIQUXFSGWNNRLO-UHFFFAOYSA-N 428.862 6.410 30 10 IKEE Cc1cccc(COc2ccc3ccccc3c2C=CC(=O)c2cccc3ccccc23)c1 2322722521 XXQYOLMJRJEQQQ-UHFFFAOYSA-N 428.531 7.777 30 10 IKEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(C)c2)C3=O)cc1OC 2322748352 CSWCJWFVTINBAO-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OC(=O)C=Cc3ccc(C)cc3)ccc2C1=O 2323057435 PXHMWBVTAZJYTM-UHFFFAOYSA-N 426.468 5.629 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2cccc(OCc3nc(O)c4ccccc4n3)c2)c1C 2323259485 NSXCMYFWCJNLSO-UHFFFAOYSA-N 438.527 6.044 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OC(=O)c4ccc([N+](=O)[O-])c(C)c4)ccc3C2=O)cc1 2323273798 BDXQNBZQYMXIEZ-UHFFFAOYSA-N 445.427 5.137 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1cccc(Cl)c1)C2=O)c1ccc(C(F)(F)F)cc1 2323351922 XXUCNDJCMOOWBF-UHFFFAOYSA-N 444.792 6.194 30 10 IKEE Cc1cc(C)c(S(=O)(=O)NN=Cc2cccc(OCc3ccc(Cl)cc3)c2)c(C)c1 2323379368 PCRXRSYWNKURDY-UHFFFAOYSA-N 442.968 5.157 30 10 IKEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 2323465259 BTEIOPIXMFPCPY-SANMLTNESA-N 442.600 5.089 30 10 IKEE CCOc1ccccc1-c1nnc(S)n1N=Cc1ccccc1OCc1ccc(C)cc1 2323520602 IXWHLDLKSVMISA-UHFFFAOYSA-N 444.560 5.402 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OCC(=O)Nc1nccs1 2323767954 REEOPKZGHXYQRH-UHFFFAOYSA-N 442.924 5.109 30 10 IKEE CCCOc1c(Cl)cc(C=NNc2nc(-c3ccc(C)c(C)c3)cs2)cc1Cl 2323858596 QEJNHXPCFOSHKE-UHFFFAOYSA-N 434.392 6.969 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(Br)c1OCCCO 2324169781 RCMOTDLBGDJHRE-UHFFFAOYSA-N 433.342 5.238 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc(C=CC(=O)c3ccc(F)cc3)cc2Cl)c1 2324184304 UYSNZLJIKJFDCG-UHFFFAOYSA-N 437.898 6.010 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3cc(OCC(=O)NC4CCCCC4)ccc3C2=O)cc1 2325324420 TXJATPZPCAZQQF-UHFFFAOYSA-N 433.548 5.428 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(C(C)C)cc1 2325532664 GSHWTACTPCMSID-UHFFFAOYSA-N 427.017 6.572 30 10 IKEE CC(=O)c1ccccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1cccc(C)c1)C2=O 2325571936 YXMPPXJKVGIWNZ-UHFFFAOYSA-N 441.483 5.140 30 10 IKEE CCCCCCOc1ccc(C=Nn2cnnc2SCc2cccc(F)c2)cc1OC 2325649238 AKQIRLPEDCJTQS-UHFFFAOYSA-N 442.560 5.559 30 10 IKEE Clc1cccc(Cl)c1C=Nn1cnnc1SCc1c(Cl)cccc1Cl 2325665316 APUCONMILAODRE-UHFFFAOYSA-N 432.163 6.066 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1OC(=O)Cc1ccc(F)cc1 2325700854 UXZFUNUHUYPTFW-UHFFFAOYSA-N 444.502 5.757 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3c(OC)cccc3OC)c2)cc1C 2325714485 DCSPVKCHMKPLHV-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE Cc1cc(OCC(=O)Nc2ccccc2C(C)C)cc2c1C(=O)C(=Cc1cccc(F)c1)O2 2325726223 GFZHSNUMCLVCDR-UHFFFAOYSA-N 445.490 5.891 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(Br)c(O)c(Br)c2)cc1 2325792071 DSVWVUFZLFTYJJ-UHFFFAOYSA-N 440.131 5.602 30 10 IKEE CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccc(F)cc1F 2326130597 SSUVPVHFLRJDEK-UHFFFAOYSA-N 436.915 5.400 30 10 IKEE C=CCOC(=O)c1sc(NC(=O)C=Cc2ccc(C(C)C)cc2)c(C(=O)OCC)c1C 2326821132 AGXNZMGGHHSANF-UHFFFAOYSA-N 441.549 5.351 30 10 IKEE CCSc1nnc(COc2ccccc2Cl)n1N=Cc1ccc(N(CC)CC)cc1 2327635732 WQNPAZGPQPNPES-UHFFFAOYSA-N 444.004 5.351 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccccc1Cl 2327956741 GDNBSYTVLCXBMA-UHFFFAOYSA-N 431.392 5.921 30 10 IKEE C=C(C)CSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1ccc(OC)c(O)c1 2328156016 NTBOHWXAVMFSDI-UHFFFAOYSA-N 442.629 6.007 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2N=Cc2cccc(OC)c2O)CC1 2328189403 IDXAJDZPOYIXBO-UHFFFAOYSA-N 430.618 5.841 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2Cl)n1N=Cc1cccnc1 2329489537 WSPROHSXJARCCU-UHFFFAOYSA-N 447.995 5.595 30 10 IKEE Clc1ccc(CSc2nnc(CCc3cccs3)n2N=Cc2ccco2)cc1 2329684236 MJWIVJDHHFKNRY-UHFFFAOYSA-N 428.970 5.546 30 10 IKEE CCCCCOc1ccc(C=Nn2c(Cc3ccccc3F)nnc2SCCC)cc1 2329763901 PNMSDVPXPURSJU-UHFFFAOYSA-N 440.588 5.961 30 10 IKEE CCc1ccc(C=Nn2c(SCCc3ccccc3)nnc2[C@@H](C)c2ccccc2)cc1 2330113223 UCQQFTULIKYFLX-NRFANRHFSA-N 440.616 6.209 30 10 IKEE CCSc1nnc(CC2CCCCC2)n1N=Cc1cc(Br)ccc1F 2330252811 OIDLEPOFAOUOSE-UHFFFAOYSA-N 425.371 5.297 30 10 IKEE C=C(C)CSc1nnc(Cc2ccccc2)n1N=Cc1ccc(OCCCCC)cc1 2330491372 NEJCXENKQHWMKY-UHFFFAOYSA-N 434.609 5.988 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)cc(Cl)c1OC(=O)c1ccncc1 2330752519 JZSSDWKJFWRCNG-UHFFFAOYSA-N 435.907 5.811 30 10 IKEE Cc1ccccc1CSc1nnc([C@H]2CCCO2)n1N=Cc1c(Cl)cccc1Cl 2330894592 KFWGFIADFQRAIV-LJQANCHMSA-N 447.391 5.919 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cccc(Br)c3)cc2)cc1 2330994132 UCWIVGMJOOKMQL-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE CCCCCCC(=O)Oc1c(OC)cc(C=CC(=O)c2ccc(Cl)cc2)cc1OC 2331142488 DBPNMKMBWOKWFZ-UHFFFAOYSA-N 430.928 6.129 30 10 IKEE CCCCCCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccccc2)cc1OCC 2331174250 XPSCFDPEHMLOAY-UHFFFAOYSA-N 442.983 7.291 30 10 IKEE Cc1ccsc1C=Nn1c(SCc2c(F)cccc2Cl)nnc1-c1ccco1 2331232738 VRGWOOSDSCGOIG-UHFFFAOYSA-N 432.933 5.875 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1ccc(C)cc1 2331286624 RAZPYZRADDCBTG-UHFFFAOYSA-N 426.512 6.156 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1N=Cc1cccc(OC)c1O 2331339526 OHSOKOFNLUMGFY-UHFFFAOYSA-N 430.961 5.163 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)CCCOc2ccccc2C)cc1 2331351872 IYMJUYOJXITYPK-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE Cc1ccccc1CSc1nnc(C(C)(C)C)n1N=Cc1ccc(Cl)c(Cl)c1 2331370236 PZSNSIWSAVUKDM-UHFFFAOYSA-N 433.408 6.365 30 10 IKEE Cc1cccc(CSc2nnc(C(C)(C)C)n2N=Cc2ccc(Cl)cc2Cl)c1 2331381150 PDLQTHWDZCOMPE-UHFFFAOYSA-N 433.408 6.365 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1cccc(C)c1 2331430463 XBJVQFVEYLEEBL-UHFFFAOYSA-N 428.528 6.416 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)c(F)c2F)c([N+](=O)[O-])c1)c1ccc(F)cc1 2331529056 CFWYNYHWQOCESW-UHFFFAOYSA-N 445.324 5.267 30 10 IKEE Cn1c(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])cc2ccccc21 2331530188 HQSMMOWDFZSLEN-UHFFFAOYSA-N 444.418 5.341 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2OC)cc1 2331539977 LVNTZJNLAOKKDX-UHFFFAOYSA-N 434.463 5.277 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)Cc2cc(C)ccc2C)cc1 2331871438 MQLSKEHDSXGLCG-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE N#Cc1nc(Cc2cccc3ccccc23)oc1NN=Cc1cc(Br)ccc1O 2331932825 ZKGSUIJDVNWNOO-UHFFFAOYSA-N 447.292 5.204 30 10 IKEE CC1(C)[C@@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C[C@@H]1OCc1ccccc1 2339537471 QGYFLSOGLSYHON-VXKWHMMOSA-N 434.389 5.522 30 10 IKEE C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2365069309 ZAUWBPKPAFLOIY-WDMDMOOOSA-N 447.432 5.295 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CCC(=O)C#Cc2ccccc2Br)C1(C)C 2370081486 RMQBAMOWHQJJFJ-QFBILLFUSA-N 434.374 5.089 30 10 IKEE O=C(/C=C1\Nc2ccccc2N\C1=C\C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 8926467 BYFFOBTUCVRBOH-VOKWCDJLSA-N 435.310 6.364 30 10 IKEE COc1ccc(CO/N=C(/C)c2cc(-c3ccc(F)cc3)n(-c3ccccc3)c2C)cc1 13286659 RDIHFESDIRQSGM-CEUNXORHSA-N 428.507 6.541 30 10 IKEE Cc1ccc(C)c(CSc2nc3n(n2)[C@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N3)c1 20850426 VNQDISHFWJTWKJ-HSZRJFAPSA-N 444.604 5.845 30 10 IKEE COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(N(C)C)cc2)C3)c1 21222933 YZZLFXQXKMUDBM-NGOKVRLYSA-N 439.559 5.741 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 33442786 SYYOATDWOHRCOI-VZUCSPMQSA-N 437.835 5.372 30 10 IKEE C=CCCC(O)(CCC=C)c1ccc(CN(CCC)Cc2cccc(OC)c2OC)o1 36202414 QDWXDYCJMSUPOG-UHFFFAOYSA-N 427.585 5.829 30 10 IKEE C=C[C@](C)(O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC1CC1 36308841 IENRWUXNOJAQAE-SANMLTNESA-N 435.543 5.168 30 10 IKEE CC(C)c1ccc(/C=C2\S/C(=N/c3cccnc3Cl)N(C3CCCCC3)C2=O)cc1 39864127 XHIGFHZVFXEPIV-AGEIGWASSA-N 440.012 6.795 30 10 IKEE C=CCc1ccc(OCCn2c([C@@H](C)N3CCCCCC3)nc3ccccc32)c(OC)c1 39917380 OUESCYXADUFDLT-OAQYLSRUSA-N 433.596 5.789 30 10 IKEE CCCCCCCOc1ccc(NC(=O)CNc2ccccc2OC[C@@H]2CCCO2)cc1 100094278 ACNSBXHZXOCKIZ-QHCPKHFHSA-N 440.584 5.644 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(-n2ccnc2)c1[N+](=O)[O-] 101479507 IBKVARJNSOWAMC-UHFFFAOYSA-N 430.597 6.464 30 10 IKEE COc1ccccc1CN1Cc2cc3ccc(C)c(C)c3nc2S/C1=N\C[C@H]1CCCO1 101496177 SYLXODUELMHFDE-BDCRVHBXSA-N 447.604 5.503 30 10 IKEE CCCCCCCN1C(=O)[C@H](C)Oc2ccc(-c3nc(-c4ccccn4)sc3C)cc21 103751936 WERHDSPTUWDNJC-KRWDZBQOSA-N 435.593 6.265 30 10 IKEE N#C[C@@H](Nc1cccc(Br)c1)c1ncc(Br)cc1Br 135310871 FIJQBUXQFSRQLR-GFCCVEGCSA-N 445.940 5.046 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccccc2OC)c1 169943740 DDYYSEPLAKVGKD-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccs2)cc1 169985144 CMKWHHJPZIXBJG-JOCHJYFZSA-N 449.528 5.247 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2ccccc2)cc1 170052035 GIQQPTHVDAEPHL-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE CC(C)Oc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccco2)cc1 170095013 XIXXJCPFAZAPMK-NRFANRHFSA-N 437.879 5.503 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1c1ccccc1 170122434 MOTDOWIMSXPNOP-QHCPKHFHSA-N 425.440 5.224 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(OC(C)C)c1 170153522 HZFQSGGTJKEOMS-FQEVSTJZSA-N 448.346 5.769 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2cccs2)ccc1OC(C)C 170157451 FJAXAKYJQMENLQ-JOCHJYFZSA-N 449.528 5.332 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)cc(C)c3OC)[C@@H]2c2cccs2)cc1 170157628 QMMRYAYFAFNOFU-NRFANRHFSA-N 449.528 5.165 30 10 IKEE Cc1ccc(-c2nc(C3=C(N)N(c4cccc(OC(F)(F)F)c4)CC3=O)sc2C)cc1 170179198 GBMNOTSSOIRGPU-UHFFFAOYSA-N 445.466 5.042 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccccc1 170226698 ZZKQDVURYJGHFC-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2C)[C@H]1c1ccco1 170288859 YVWBEEUIVSRCLG-FQEVSTJZSA-N 441.842 5.172 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(C)o1 170303741 KEGVWYXUSPTXCD-JOCHJYFZSA-N 431.488 5.305 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCCC)c2)[C@@H]1c1sccc1C 170319238 SZXPVRKOBISAEJ-HXUWFJFHSA-N 427.566 5.614 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2sccc2C)cc1Cl 170405681 SUQCQXYSQYNWGP-KRWDZBQOSA-N 445.949 5.563 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1cccc(Oc2ccccc2)c1 170456854 NQFQRXJCUBPDCT-HSZRJFAPSA-N 442.515 5.385 30 10 IKEE COc1ccc(/C=C2/C[C@@H]3[C@@H]4CCc5cc(OC(C)=O)ccc5[C@@H]4CC[C@@]3(C)C2=O)cc1 229046385 FJIRFWDJPBXNKB-DXJHHCFBSA-N 430.544 5.739 30 10 IKEE N#Cc1c(Br)cccc1Nc1ccc(I)cc1Cl 232150815 JEHDYXYKRKFBGU-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE C=CCn1nnc(CSc2ccc(OC)cc2)c1CC(=O)Nc1ccc(C(C)C)cc1 334161529 BNZLIGOWBHNZBL-UHFFFAOYSA-N 436.581 5.070 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(Cl)cc2)c1 526517213 UKDCMSGCSPRQAB-DEOSSOPVSA-N 444.918 6.058 30 10 IKEE Cc1ccsc1[C@H]1C(c2ccc(OCC(C)C)cc2)=C(O)C(=O)N1c1ccccc1C#N 526603991 DECIRFPCYHKIKK-HSZRJFAPSA-N 444.556 6.020 30 10 IKEE CCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1cc(Cl)c(OC)c(OC)c1 526809829 OTXJLUGHKLZJER-MSXFZWOLSA-N 444.988 5.302 30 10 IKEE CCn1cc(/C=N\n2c(C)nnc2SCc2c(Cl)cccc2Cl)c2ccccc21 526813824 GKNZBKNEUXWKGA-MYKKPKGFSA-N 444.391 6.042 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2ncccc2C)cc1 586236263 MSVDDSNFPMIKFN-UHFFFAOYSA-N 447.604 5.780 30 10 IKEE C=CCN(CC=C)C(=O)Nc1ccc(C(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1 586682901 SECAVHVHAJXFAI-UHFFFAOYSA-N 446.576 5.885 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1ccc(F)cc1Cl 698407721 PBYZVGUPRYHHMZ-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE CC(C)C[C@@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Br)c2)C1 698496277 HXOLPEIYLOWPFC-HTAPYJJXSA-N 435.406 6.689 30 10 IKEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@H](C#N)c1ccc(Cl)cc1Br 698828125 KPYMLUFVUQKWIZ-GFCCVEGCSA-N 427.648 5.467 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)CC1(C)C 698828446 ABEKVOZRTKDFJW-XMMPIXPASA-N 447.551 5.639 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1cccc(I)c1 710809200 SEFNELXOPJACCY-GOSISDBHSA-N 448.304 5.606 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C1 724081449 PNZMPJBVYWHSPO-HOYKHHGWSA-N 435.609 5.533 30 10 IKEE O=C1/C(=C/c2cc3c(cc2Cl)OCO3)SC(=Nc2ccccc2)N1C1CCCCC1 1083960957 MWDAFVRUOSWTFH-WBCGYQJHSA-N 440.952 6.005 30 10 IKEE CCCCCCOC(=O)CSc1n[nH]c(NN=C(C)c2ccc3ccccc3c2)n1 1084118392 OUWUPAACIMNZNZ-UHFFFAOYSA-N 425.558 5.010 30 10 IKEE CC(C)(C)c1ccc([C@@H]2/C(=C(/O)c3cccs3)C(=O)C(=O)N2Cc2cccnc2)cc1 1613913391 RTVNIEMZFPPXBH-SADKCHQCSA-N 432.545 5.063 30 10 IKEE C=CC[C@H](Cc1ccccc1)NC(=O)CNc1nc(C)nc2sc(-c3ccccc3)cc12 1626324689 IZSGSVVRQCHIQX-OAQYLSRUSA-N 442.588 5.382 30 10 IKEE Cc1ccc(NC(=S)N/N=C\c2cn(-c3ccccc3F)nc2-c2cccs2)cc1C 1857810450 JDCGCHOUKPPDNY-MXAYSNPKSA-N 449.580 5.677 30 10 IKEE CC[C@H](C)c1ccccc1NC(=O)Oc1ccc(CNC(=O)c2cccc(C#N)c2)cc1 1858912721 BZWWBYGABOWTRB-SFHVURJKSA-N 427.504 5.613 30 10 IKEE CCOC(=O)c1sc(NC(=O)c2c3c(nc4ccc(C)cc24)CCCC3)c(C#N)c1C 1859643565 LLYDPEGUAPYSPB-UHFFFAOYSA-N 433.533 5.093 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccccc1OCC 1861353042 HOHTVWNIRPGBDA-HSZRJFAPSA-N 442.575 5.042 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)[C@@H](C)Oc1ccc(C(C)C)cc1 1861677252 KCUGURYHSHGJNE-QPPBQGQZSA-N 432.649 5.729 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)CCCOc1ccc(OC)cc1 1861717639 BNVIIMTVVJDNHN-DEOSSOPVSA-N 448.648 5.396 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(Cl)cc1 1862385694 VRQKIDPNHMDPFW-ADLMAVQZSA-N 438.738 6.024 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2ccc(C)cc2)cc1C 1862401161 VHWLARAOSPPFSD-VWLOTQADSA-N 441.527 5.399 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(F)cc1 1862413405 BPOVGFCHAKGBGL-YIILKADPSA-N 429.438 5.261 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(Cl)cc1 1862432147 XODDGLDHGKGOJD-HXUWFJFHSA-N 448.346 5.387 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862442191 QDFBBBCUJYLACX-HSZRJFAPSA-N 437.967 6.340 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1cccc(C)c1 1862465944 XUZMRJMZVWMFBU-KUHUBIRLSA-N 428.326 5.134 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2c(Cl)cccc2Cl)cc1 1862481314 CDTQMOPKIVSZFF-FOIQADDNSA-N 446.330 5.059 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccc(Cl)cc2)c1 1862507167 FQPMVIBBBMQBEQ-QHCPKHFHSA-N 449.909 5.874 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1c(F)cccc1Cl 1862548890 BQWYIGKFNYDKQP-NRFANRHFSA-N 427.903 5.346 30 10 IKEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2cccc(C)c2)cc1 1862589920 WYGDRPUTIRIWOA-OSPHWJPCSA-N 443.499 5.049 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 1862614326 ATEHHBGDEWPPDT-GMAHTHKFSA-N 433.548 5.050 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 1862614423 APIWKOREYIOBLZ-XMMPIXPASA-N 448.607 5.077 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(N(CC)CC)cc1 1862667837 LAYZYONMTIRDGI-UQBPGWFLSA-N 448.607 6.033 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CC(C)C)cc1 1862669786 FKBWQELKLQUHQX-RUZDIDTESA-N 449.591 6.223 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2Cl)c1 1862700604 KCZXSMARNZQCIR-FQEVSTJZSA-N 439.920 5.189 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1 1862713859 YJGNHLVNUMTNAM-SIBVEZHUSA-N 433.507 6.179 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCC(C)C)c1 1862714626 FFULNMDFQMSZNL-DEOSSOPVSA-N 429.516 5.473 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CC)cc1 1862721799 SBDHPLNZSVIWMO-XMMPIXPASA-N 428.532 5.284 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)c(F)c2)=C(c2ccc(Cl)cc2)C1=O 1863173553 AQONNKISYNIPSJ-UHFFFAOYSA-N 446.925 6.171 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(C(C)(C)C)cc2)=C(c2cc(Cl)ccc2Cl)C1=O 1863384496 DEEQYGYFQCQTEB-UHFFFAOYSA-N 429.347 5.669 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)c2c3c(nc4c(C)cccc24)CCC3)c1 1866269207 BQPUIGHVECAUDK-UHFFFAOYSA-N 445.522 5.695 30 10 IKEE CC(C)[C@H]1c2ccccc2CCN1c1cc(Nc2ccccc2C#N)nc(-c2ccccc2)n1 1868372075 ATIUFSRELFAQIW-NDEPHWFRSA-N 445.570 6.519 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(F)cc2)c(CSc2ccccn2)cc1=O 1870251379 GSHCQJJZDPMDEH-UHFFFAOYSA-N 440.584 6.072 30 10 IKEE CCCCCCCCn1cc(OC)c(=O)cc1CN1CCN(c2cccc(Cl)c2)CC1 1870554509 BEBFCXOAZMXNCA-UHFFFAOYSA-N 446.035 5.193 30 10 IKEE CCCCCCCCn1cc(OCCCCC)c(=O)cc1CNc1ccccc1CC 1871130389 PGRZUSCEQMLQGW-UHFFFAOYSA-N 426.645 6.952 30 10 IKEE CCCCCCCCn1cc(OCCCCC)c(=O)cc1CNc1ccc(F)c(F)c1 1871130449 RCYKRZGLHFYYQJ-UHFFFAOYSA-N 434.571 6.668 30 10 IKEE CCCCC[C@@H](CC)N1COc2ccc3c(c2C1)O/C(=C\c1ccc(OCC)cc1)C3=O 1871347711 RBKVBFCTKSHRCN-WYRWUVFZSA-N 435.564 6.212 30 10 IKEE CC[C@@H](C)N1COc2c(cc3c(c2C)O/C(=C\c2cn(CC)c4ccc(OC)cc24)C3=O)C1 1871353336 LVNQUEFTMUFZFQ-CACIFTLBSA-N 446.547 5.545 30 10 IKEE COc1ccc([C@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2cccs2)C4=O)cc1OC 1871354037 FLFKVRDJULXAHA-WQKDKYNYSA-N 449.528 5.295 30 10 IKEE Cn1cc(/C=C2\Oc3cc(OC(=O)c4ccc(F)c(F)c4F)ccc3C2=O)c2ccccc21 1871369964 BMRONIAEBLHDDE-FBHDLOMBSA-N 449.384 5.431 30 10 IKEE Cc1c(OC(=O)c2ccc(C(F)(F)F)cc2)ccc2c1O/C(=C\c1ccccn1)C2=O 1871375769 BYKXYQFTGHLZME-UNOMPAQXSA-N 425.362 5.244 30 10 IKEE Cc1cc(C)c(COc2ccc3c(c2C)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1C 1871423834 ZEZLWZOKZDIDPT-CFRMEGHHSA-N 429.472 6.024 30 10 IKEE CCc1ccc(NC(=O)[C@H](CC)Oc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 1871426042 TWYFRXUXSRLWCA-GEGYVFIFSA-N 445.490 5.800 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(c4ccccc4)c4ccccc4)ccc3C2=O)cc1 1871430989 RBLRMEVMYVVLBL-IMRQLAEWSA-N 434.491 6.480 30 10 IKEE CCCOC(=O)[C@@H](CC)Oc1cc(C)c2c(c1)O/C(=C\c1cn(CC)c3ccccc13)C2=O 1871432358 ACEMLSAYPGEDLJ-UTKDAVAPSA-N 447.531 5.696 30 10 IKEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1ccc(C)cc1 1871822646 UUJZRZXDXGAGFY-DEOSSOPVSA-N 442.625 5.322 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(F)cc1 1871992941 NWZVKOPQUMVTID-QHCPKHFHSA-N 446.588 5.207 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cccc(Cl)c1)c1ccccc1)S(=O)(=O)CCCC 1872234614 ACYGGOSIJCPTLU-NRFANRHFSA-N 434.989 5.028 30 10 IKEE Cc1cc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccc4ccccc4c3)n2)ccc1F 1872772356 NQOWVNQLCJMZAQ-QFIPXVFZSA-N 444.531 6.446 30 10 IKEE Cc1nc(SCc2ccc(C(=O)Nc3ccc(OC(C)C)cc3)cc2)c(C#N)c(C)c1C 1872895289 MSSFHTKUXDNCKD-UHFFFAOYSA-N 445.588 6.210 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(C(C)(C)C)cc2)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873276971 XHDNUMPDKUUCPB-UHFFFAOYSA-N 436.555 6.029 30 10 IKEE C=CCn1c(C(=O)NCCCCCCCC)cc2c(N(CCCC)CCCC)ncnc21 1873594051 KOIONQLBGMAIBH-UHFFFAOYSA-N 441.664 6.114 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(OC)c(Cl)c2)cc2c(NCCCCCC)ncnc21 1873639009 QVRHOLAUCZXXSG-UHFFFAOYSA-N 441.963 5.524 30 10 IKEE CCCOc1cccc(/C=N/n2c(COc3ccccc3Cl)nnc2SCCC)c1 1874267915 WFHNSMQNMWONNZ-BUVRLJJBSA-N 444.988 5.684 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3cccc(C)c3)n2/N=C/c2cccnc2)cc1 1874301691 MCKAHQBVMQYOPU-WPWMEQJKSA-N 443.576 5.146 30 10 IKEE COc1cccc(/C=N/n2c(CCOc3ccccc3)nnc2SCc2ccccc2)c1 1874346349 KNCBXNGXJGIKIF-NLRVBDNBSA-N 444.560 5.083 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2/N=C/c2ccc(F)cc2)cc1 1874356224 YBDKNVXIXXZCQK-LQKURTRISA-N 444.579 6.108 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccccc3Cl)n2/N=C/c2ccccn2)cc1 1874367903 PEMBFNSDAGXVBR-DHRITJCHSA-N 440.359 5.821 30 10 IKEE Cc1cccc(/C=N/n2c(SCCc3ccccc3)nnc2[C@@H](C)c2ccccc2)c1 1874400569 UAIGQNZPZUHJCC-YQEDBCDYSA-N 426.589 5.955 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2ccc(C(=O)O)cc2)c1 1874416112 YZFIWAPZLBZMLH-WGOQTCKBSA-N 442.544 5.050 30 10 IKEE COc1cc(/C=N/n2c(SCc3ccccc3C)nnc2-c2ccccc2)ccc1O 1874425970 KLOFDGLSJJIMSF-MFKUBSTISA-N 430.533 5.142 30 10 IKEE Cc1ccccc1CSc1nnc(CC(C)(C)C)n1/N=C/c1cn(C)c2ccccc12 1874436912 GCNBIKSDYNALSD-CVKSISIWSA-N 431.609 5.841 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(CC(C)(C)C)n2/N=C/c2sccc2C)o1 1874438010 FFPZBFHAQLFWPZ-WSDLNYQXSA-N 446.598 5.181 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2)n1/N=C/c1cccc(Br)c1 1874438535 GDLXDFLLUPDZAA-OEAKJJBVSA-N 443.414 5.804 30 10 IKEE Cc1ccccc1CSc1nnc([C@H]2CCCO2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874442460 CIAJWCOOWFIVDY-KXQYEYADSA-N 446.498 5.631 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc([C@H]2CCCO2)n1/N=C/c1ccncc1 1874448958 PCONSABOUGUDRS-TVSCDJBNSA-N 434.352 5.006 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CCCC)nnc2SCc2cccc(C)c2)cc1 1874478013 OKGBVLCFHKESHL-NLRVBDNBSA-N 436.625 6.283 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2nc(O)c3ccccc3n2)cc1 1874575984 QVPKTYIYEQRMQM-XYOKQWHBSA-N 446.890 5.473 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2c(OCc3cccc(Cl)c3)ccc3ccccc23)cc1 1874583338 JCAPFARUZRLONF-FOCLMDBBSA-N 440.970 8.092 30 10 IKEE CCCOC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1cc(C(C)C)c(OC)cc1C 1874585654 YXWZPCYIWHLISE-VQHVLOKHSA-N 444.955 6.009 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1 1874586161 YTRZWXBKQQLXLZ-VQHVLOKHSA-N 441.354 7.094 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2cccc(OCc3nc(O)c4ccccc4n3)c2)c1C 1874599457 NSXCMYFWCJNLSO-OUKQBFOZSA-N 438.527 6.044 30 10 IKEE CCCNC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc3ccccc3c2)cc1OC 1874602388 JMZMUZSCOPOPGV-DHZHZOJOSA-N 437.923 5.303 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc([N+](=O)[O-])c1OCc1cccc(F)c1 1874605225 TXQQYLKLSCRFAT-JLHYYAGUSA-N 449.478 6.170 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1OCc1cccc(C)c1 1874616800 SWCHSARRHMOXJB-JLHYYAGUSA-N 431.488 6.085 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1OC 1874623244 SMUZYBSHMOCLOL-FYWRMAATSA-N 445.559 5.772 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3C)c([N+](=O)[O-])c2)c(C)c1C 1874626595 MMWIWZYMDFKZAY-FMIVXFBMSA-N 431.488 6.004 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OCc3ccccc3)c(Br)c2)c1C 1874628977 GRDWVVPRGOVQOB-ZRDIBKRKSA-N 449.388 7.158 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c([N+](=O)[O-])c2)c1C 1874628989 HGVVXXKKPSUHFU-YRNVUSSQSA-N 449.934 6.957 30 10 IKEE COc1ccccc1C(=O)Oc1cccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1 1874695439 AZCGYWQULOTSFX-FMIVXFBMSA-N 427.283 6.117 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2)cc1OC(=O)c1ccc2cc(Cl)ccc2n1 1874700437 SJKLRAKNZHCPBD-NTUHNPAUSA-N 443.886 6.012 30 10 IKEE COc1cc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(C)cc3)c2)c(OC)cc1Cl 1874711620 GFUOWUNYBCQHRJ-FMIVXFBMSA-N 436.891 5.781 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)cc2F)c(Cl)c1)c1cccc([N+](=O)[O-])c1 1875088002 MISQXUVDNNNNEV-XBXARRHUSA-N 443.789 5.642 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3F)c(Cl)c2)cc1OC 1875098663 NJUVEAPOAZWNHI-JXMROGBWSA-N 440.854 5.612 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)CSc3ccccc3)c(OC)c2)cc1 1875101859 SLVBFSJMKHWMDO-RVDMUPIBSA-N 432.541 5.851 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Br)c1OC(=O)C1CC1 1875140115 QIEJDQAKUSOIGK-JXMROGBWSA-N 443.337 5.676 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2Cl)cc1 1875149724 DQFCPACXWCCQTF-BJMVGYQFSA-N 434.875 5.746 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1OC(=O)c1cccc(C)c1 1875159365 ARBQBIJCADRCJA-KPKJPENVSA-N 449.434 5.556 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)ccc1OC(=O)C1CC1 1875164525 NWVCALGJBGZALM-LZYBPNLTSA-N 428.484 6.089 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1Cl 1875170804 QUCMDINRIYZBEE-ZRDIBKRKSA-N 428.956 6.737 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2Cl)cc1 1875175289 ILIYYUIHHDUDEB-LFYBBSHMSA-N 448.902 5.997 30 10 IKEE C=CCn1c(C(=O)N(CCC)CCCC)cc2c(NCc3ccc(Cl)cc3)ncnc21 1875230623 HYLGJVRPRRBOPH-UHFFFAOYSA-N 439.991 5.535 30 10 IKEE C#CCCC[C@H](NCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875649697 JTFUTVSZXHABOK-WNJJXGMVSA-N 443.587 5.660 30 10 IKEE C#CCCCC[C@H](NC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875651794 PQNSADVRZSCAGY-LITSAYRRSA-N 443.587 5.660 30 10 IKEE C#CC[C@H](C)C[C@@H](NCCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1887451199 CSSSUFSHBMIFCM-RBJSKKJNSA-N 441.615 6.935 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)C(F)(F)c3ccc(Cl)cc3)ccc21 1891309445 GEOKBXLLMFHCMM-UHFFFAOYSA-N 434.870 5.008 30 10 IKEE CCC[C@](C#N)(CNC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)c1ccc(OC)cc1 1944407123 CVBLNYTYWIHTIX-QHCPKHFHSA-N 433.549 5.024 30 10 IKEE C=CCCCCCNc1cc(Br)c(Br)c(Br)c1 1946434614 LZLMQQUBBBFDLW-UHFFFAOYSA-N 425.990 6.132 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)[C@@H]1C(C)(C)C 2020136257 JXKLODNLMZPVIT-MHECFPHRSA-N 435.609 5.484 30 10 IKEE CSc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)s1 2032266851 RNKNHKLRHVQMGD-CQSZACIVSA-N 439.400 6.239 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@]1(C#N)CCN(Cc2ccccc2)CC1(C)C 2037430721 IYOFVYYSLHPGCC-SANMLTNESA-N 437.559 5.762 30 10 IKEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2045241448 RRKPPOJFRNQWLZ-MZNJEOGPSA-N 447.551 5.497 30 10 IKEE CC(C)N[C@]1(C#N)C[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)CC[C@H]1C 2055585048 NYQKEAZDODMEFJ-KGPYPHOUSA-N 432.656 5.070 30 10 IKEE CC1([C@H](c2ccc(C3CC3)cc2)n2nc(C3CC3)c(C#N)c2I)CC1 2079023546 UYSSPWGCIMSSLM-IBGZPJMESA-N 443.332 5.504 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@]1(C#N)CCN(Cc2ccccc2)C(C)(C)C1 2079241934 XWTNRPWJBXZFAS-HHHXNRCGSA-N 439.644 6.283 30 10 IKEE CC[C@H](c1ccc(C)c(F)c1F)n1nc(C2CCC2)c(C#N)c1I 2079896446 IYWYEQHMQKPKKN-CQSZACIVSA-N 441.263 5.213 30 10 IKEE CC(C)c1ncc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)s1 2114344936 WYURQVFZMSGMGM-OAHLLOKOSA-N 436.375 6.035 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)cc(Br)cc1F 2159129720 IUHDRTZKIRKLKO-AEFFLSMTSA-N 445.348 5.075 30 10 IKEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@H](CNc2cc(Br)c(C#N)cc2F)C1 2162343291 HWLCQPYXCLCTAR-CQSZACIVSA-N 440.357 5.155 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(F)c(C(=O)Nc2cc(Br)ccc2C#N)c1 2181144043 PEWWSFCAJIXPFH-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE C[C@H](c1cscc1Br)N(C)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2186595067 NAMXTIIEFYQBMN-CQSZACIVSA-N 436.224 5.003 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1cnc(C2CCC2)[nH]1 2197501928 NMVZTEIFBHDNSE-KRWDZBQOSA-N 431.334 5.446 30 10 IKEE COc1ccc(NC(=O)OC(C)(C)C)c(C(=O)C#Cc2ccccc2Br)c1 2235728433 MHKIHYYWJYFJMR-UHFFFAOYSA-N 430.298 5.039 30 10 IKEE C[C@H](N(Cc1ccccc1)C(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1)C(C)(C)C 2247863150 MTCPBHDMINYENH-KRWDZBQOSA-N 427.419 5.124 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1c(NC(=O)OC(C)(C)C)cccc1OC 2248169594 HTCDXONDUVGJSG-QHCPKHFHSA-N 426.557 5.466 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)NCCC 2253201856 JNKHCGQEXZAVFT-ISKFKSNPSA-N 430.633 5.555 30 10 IKEE CC1(C)OB(c2cccc(NC(=O)N(Cc3ccccc3)C3CCCCC3)c2)OC1(C)C 2267636278 YSNYWUPYKDZXDO-UHFFFAOYSA-N 434.389 5.353 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2c(Br)cccc2C#N)C[C@@H]2CCCC[C@@H]21 2285168970 FMXSRTPBSHJZFK-ZVZYQTTQSA-N 434.378 5.301 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1OC 2296867929 HBDJKSMKQDVIJF-UHFFFAOYSA-N 436.847 5.193 30 10 IKEE Cc1ccc([C@@H]2C(=C(O)c3cccs3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 2296925369 AMFJTEDWTWCDRX-HXUWFJFHSA-N 446.553 5.601 30 10 IKEE CCCCCCCNC(CC)=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 2297732951 IUGPJQFYFLHJNY-UHFFFAOYSA-N 438.519 5.785 30 10 IKEE SCCCCCCOCc1ccc(I)c(Br)c1 2306305567 ZKRFYRQQMRNINY-UHFFFAOYSA-N 429.161 5.061 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@]1(C#N)C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 2310844696 QHUKAJHSKMPSBR-WCJVPVSSSA-N 438.612 6.224 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2Cl)SC(=Nc2cccnc2)N1C1CCCCC1 2314539815 BLXMBQZPVJXRKY-UHFFFAOYSA-N 432.376 6.325 30 10 IKEE CCc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccc(Cl)cc2)C4)cc1 2321958307 LXBWGLOHEHTDGU-UHFFFAOYSA-N 445.946 6.179 30 10 IKEE COc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(CCc1ccc(C)cc1)C3 2322220596 PDUSRBSDWCNFTP-UHFFFAOYSA-N 441.527 5.323 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2ccc(F)cc2)cc1 2322371216 XJNXWXORYNAWAZ-UHFFFAOYSA-N 433.479 5.310 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2cccc(C)c2C)cc1 2322391412 PWFXZVVYAYWWJX-UHFFFAOYSA-N 441.571 6.560 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F 2322502091 LSVCXOYHOMBCJB-UHFFFAOYSA-N 429.806 6.002 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)c1 2322617390 PXXPMYZTEPZZRV-UHFFFAOYSA-N 445.773 7.739 30 10 IKEE Cc1c(OC(=O)c2ccc3c(c2)OCO3)ccc2c1OC(=Cc1ccc(Cl)cc1)C2=O 2322775533 QXQXRTUGJCDAEC-UHFFFAOYSA-N 434.831 5.213 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)CCCOc4ccccc4C)c3C)C2=O)cc1 2323177360 HASBIEIKLQLJBR-UHFFFAOYSA-N 442.511 5.993 30 10 IKEE CCCCCCOc1ccccc1C(=O)C=NNc1nc(O)cc(-c2ccc(OC)cc2)n1 2323260438 HYWBLRHTNORNMA-UHFFFAOYSA-N 448.523 5.098 30 10 IKEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)C[C@@H]2CCCC[C@@H]2N(C(=O)OC(C)(C)C)C1 2323290551 KOJJPRVPSZDKQK-AOJNWGRGSA-N 442.600 5.088 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)c([N+](=O)[O-])c2)cc1 2323900859 GQBNLVUBUZCOLF-LJQANCHMSA-N 444.487 5.056 30 10 IKEE CCCOC(=O)COc1ccc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc1Cl 2324262101 FMUBNWGKBQJBLI-UHFFFAOYSA-N 444.955 6.009 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccc(F)cc2)C3=O)c1 2324455804 AHYSMWSXMXTREP-GOSISDBHSA-N 445.490 5.773 30 10 IKEE COc1ccccc1C=C1Oc2cc(O[C@@H](C)C(=O)Nc3cccc(C)c3C)ccc2C1=O 2324498465 BIKUVGCPTHYLIQ-SFHVURJKSA-N 443.499 5.334 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCCOc4ccc(C)cc4)c3C)C2=O)cc1OC 2324538295 DEHLBOZHKREUNR-UHFFFAOYSA-N 446.499 5.395 30 10 IKEE C=CCOc1c(Br)cc(C=CC(=O)c2cc(C)c(OC)cc2C)cc1OC 2324644256 OFTBDMWOPSEMBE-UHFFFAOYSA-N 431.326 5.544 30 10 IKEE Cc1c(OCc2ccccc2)ccc2c1OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O 2324844530 DTLWOWFDDDQZPN-UHFFFAOYSA-N 434.875 5.710 30 10 IKEE Cc1c(OCc2cccc3ccccc23)ccc2c1OC(=Cc1ccc(Cl)cc1)C2=O 2325272686 HBFJIERJQAFPAG-UHFFFAOYSA-N 426.899 6.997 30 10 IKEE COc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccccc2F)cc1 2325448823 LJMVYQAIOHWGMP-UHFFFAOYSA-N 446.551 5.386 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccc(Cl)c(Cl)c1 2325558938 RADXOJWHHBIYOT-UHFFFAOYSA-N 433.408 6.329 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(C)nnc2SCc2c(F)cccc2Cl)cc1 2325648518 UGTPWEDGEBFYTL-UHFFFAOYSA-N 431.968 5.400 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)C34CC5CC(CC(C5)C3)C4)c2)cc1 2325704662 KUQWAWRAQPUOGY-UHFFFAOYSA-N 444.571 6.276 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cc4ccccc4n3C)c2)cc1 2325712837 ARMUMJLSNJBARD-UHFFFAOYSA-N 437.539 6.636 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)[C@@H](C)Oc3ccc(Cl)cc3)c2)cc1 2325719163 IQVCOBGEEHPBMB-QGZVFWFLSA-N 436.891 5.618 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2ccc(C)cc2C)cc1OC(=O)C1CC1 2325735785 KHEWXJLWTOOEAO-UHFFFAOYSA-N 429.310 5.286 30 10 IKEE Cc1cc(C)c(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2C)C3=O)c(C)c1 2325737022 NZPNXZUOPGNLDE-UHFFFAOYSA-N 441.527 5.862 30 10 IKEE C=CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1cccc(F)c1 2325905505 AMIJHTMKHHRWMP-UHFFFAOYSA-N 438.572 5.762 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(OCC(C)C)cc1 2326251902 RRZCNOCAKFVDGV-UHFFFAOYSA-N 426.561 5.579 30 10 IKEE CCc1ccc(OCCCc2nnc(SC)n2N=Cc2c(F)cccc2Cl)cc1 2326296069 ZKFPOZHPLLUXQC-UHFFFAOYSA-N 432.952 5.249 30 10 IKEE CCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc(N(C)C)cc1 2326590120 IRIPBUGHNUFFDJ-UHFFFAOYSA-N 429.593 5.277 30 10 IKEE CCOc1ccc(C=Nn2c(CC34CC5CC(CC(C5)C3)C4)nnc2SC)cc1OC 2326868161 YGAHAPSOMJJEIK-UHFFFAOYSA-N 440.613 5.048 30 10 IKEE C=C(C)CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccccc1Cl 2326908595 JBHDNFSQCOYRTN-UHFFFAOYSA-N 441.044 6.241 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1c[nH]c2ccccc12 2328056422 HNHKTNIKHGBEGJ-UHFFFAOYSA-N 435.984 5.748 30 10 IKEE Cc1ccc(C=Nn2c(SCc3ccccc3C)nnc2-c2ccccc2Cl)cc1 2329539122 ARGBPESXZKSPES-UHFFFAOYSA-N 432.980 6.390 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCc3ccccc3C)nnc2[C@@H](C)c2ccccc2)c1 2330057809 RVLPAUQXEUXAQL-FQEVSTJZSA-N 442.588 5.927 30 10 IKEE Fc1cccc(C=Nn2c(CC3CCCCC3)nnc2SCc2cccc(F)c2)c1 2330251282 IEWPCCJFYCZKEM-UHFFFAOYSA-N 426.536 5.854 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1F 2330642681 DPUDCNVBAMEHKO-UHFFFAOYSA-N 435.407 5.248 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(OC)c1OC(=O)c1cccnc1 2330673070 UTQKWKHTBDKNBW-UHFFFAOYSA-N 449.506 6.087 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccncc1 2330823987 CGDGFTGHRVYZLD-UHFFFAOYSA-N 428.271 5.512 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2c(Cl)cccc2Cl)nnc1[C@H]1CCCO1 2330974762 OSRFBETVQHPQRS-LJQANCHMSA-N 447.391 5.919 30 10 IKEE Fc1ccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2-c2ccco2)cc1 2331215987 KIJULKWKTOTZHP-UHFFFAOYSA-N 447.322 6.159 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1N=Cc1sccc1C 2331326253 PMSOXUOMDXOFGQ-UHFFFAOYSA-N 441.626 5.220 30 10 IKEE CCOc1cc(C=Nn2c(CC(C)C)nnc2SC)ccc1OCc1ccccc1C 2331417999 IGDPLKNMYJJPJM-UHFFFAOYSA-N 438.597 5.367 30 10 IKEE CCOc1c(C=Nn2c(SCc3cccc(F)c3)nnc2C2CCC2)cccc1OC 2331500151 GQWVSQHTRIFASI-UHFFFAOYSA-N 440.544 5.267 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(C)c3C)cc2OC)cc1 2331632338 CFVXXGJDNQRJAM-UHFFFAOYSA-N 444.527 5.998 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccccc3F)c([N+](=O)[O-])c2)c1C 2331649028 PLCKIHAFSAFLPE-UHFFFAOYSA-N 447.462 6.083 30 10 IKEE COc1cc(C(=O)C=Cc2ccc(OC(=O)c3sccc3C)cc2)c(OC)cc1Cl 2331687312 LSCRTVSREWVECZ-UHFFFAOYSA-N 442.920 5.842 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2)cc1 2331704622 MXNVTORBONDPFU-UHFFFAOYSA-N 428.528 6.136 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)c1cncc(C)c1 2331708145 GMBYMXBPFNYXSQ-UHFFFAOYSA-N 449.934 6.174 30 10 IKEE C=C[C@](C)(CN[C@H](C)CC)Cc1ccc(I)c(Br)c1 2349917101 OCPREDUGSKKOQS-WBMJQRKESA-N 436.175 5.177 30 10 IKEE CC[C@@H](NCc1cscc1Br)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363841665 QEULLCYTECOIKW-GOSISDBHSA-N 436.224 5.051 30 10 IKEE CCCCCCCCCCOc1ccc(C2=N/C(=C/c3ccc(Cl)cc3)C(=O)O2)cc1 1948914 NNULKDGWZUHJGQ-LYBHJNIJSA-N 439.983 7.204 30 10 IKEE COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(O)c(OC)c2)c1 20883093 WTFNHJDEGNYJKL-XRHLQHRESA-N 442.515 5.389 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(Cl)c(Cl)c2)C3)cc1 21226832 FHSQMYYMKIYIOU-WMZOPIPTSA-N 444.358 5.787 30 10 IKEE CC(C)COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2c(F)cccc2Cl)cc1 21244033 WXGKSPXZNRRISV-AEFFLSMTSA-N 441.930 5.518 30 10 IKEE Cc1ccc(C)c(S(=O)(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)c1 21356346 BVYIGKSZOMPRNC-RUZDIDTESA-N 448.544 5.266 30 10 IKEE Cc1ccccc1C(=O)/N=C(\NCCc1c[nH]c2ccccc12)Nc1ccc(C(C)C)cc1 32943360 QXDRKITTXKBCDJ-UHFFFAOYSA-N 438.575 6.040 30 10 IKEE COc1ccc(C(=O)/C=C\c2ccc(OC)c(CSc3nc4ccccc4s3)c2)cc1 33414247 NWADAAJTZZPBKO-QPEQYQDCSA-N 447.581 6.502 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)c1ccc(Br)cc1 34955079 BJFGPSSOODSLJT-LZWSPWQCSA-N 441.708 6.218 30 10 IKEE N#CC1(C#N)[C@H](c2ccc(F)cc2)[C@H](C(=O)c2cccs2)N2C=Cc3ccccc3[C@H]21 35896941 KHTWMFGHUATBSM-AKFKNWHVSA-N 425.488 5.297 30 10 IKEE C=CC[C@H]1C=CC[C@H](CC=C)N1C(=O)CCCCC(=O)N1[C@@H](CC=C)C=CC[C@@H]1CC=C 59460081 LUDGVKPHGNZDEK-CQJMVLFOSA-N 436.640 5.903 30 10 IKEE CC/C(C)=N/Nc1nc2cc(C)c(NC(=O)c3cc(Cl)ccc3Cl)c(C)c2s1 78397740 CZHPWYZMAGTELT-OPEKNORGSA-N 435.380 6.670 30 10 IKEE Cc1ccc2nc(-c3ccc(/N=C/c4ccccc4OCc4ccccc4)cc3)sc2c1 100054461 IGSCTUGJTXRAFR-RDRPBHBLSA-N 434.564 7.601 30 10 IKEE CCN1C(=O)C[C@H](C(=O)Nc2cccc(Cl)c2)S/C1=N\c1ccc(C)c(Cl)c1 100194383 OZHYRSWVYVFQGD-BJUXRVGASA-N 436.364 5.282 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(OC)cc2)cc1 169923397 DYNZAROUWTYEDL-HSZRJFAPSA-N 447.918 5.694 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3cccs3)c(C)s2)cc([N+](=O)[O-])c1OCC 169942271 SOLDJCCMUBPIII-JAIQZWGSSA-N 432.527 5.332 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(O)cc2)cc1 169958142 VRCKXIAFAFYVTA-QHCPKHFHSA-N 447.918 5.952 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@@H]1c1ccc(O)cc1 169958993 KQOBXNPLXUBHHB-XMMPIXPASA-N 443.499 5.109 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccc(O)cc1)c1cc2ccccc2o1 169961306 NXUCOYUFARQVMT-JOCHJYFZSA-N 445.858 5.575 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(Cl)cc2)c1 169969791 AZUQGXSEAVDTDZ-OAQYLSRUSA-N 438.310 6.085 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccccn2)ccc1F 169991868 ZXWXCTGQPGQWJF-QHCPKHFHSA-N 430.479 5.435 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccc(C(C)C)cc2)cc1 170067392 GZQRCXRDBHYGDD-VWLOTQADSA-N 440.543 5.546 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2cccc(O)c2)cc1 170079401 IPKXLMUIHBKBDU-VWLOTQADSA-N 441.527 5.861 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccccc2C)c1 170086066 SQAAHXBAJYMLST-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@@H]1c1ccco1)c1c[nH]c2ccccc12 170092403 UWXJEQMIMHYGRM-HXUWFJFHSA-N 436.826 5.336 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]2c2ccc(C)o2)c1 170101818 YESZPHIJZZNBOI-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(C)o3)nc2c1 170103644 RSQSZVLTQFSQAU-HXUWFJFHSA-N 447.878 5.209 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@@H]1c1cccc(C)c1 170147348 LOFJMYKFQOWGSM-DEOSSOPVSA-N 449.591 6.070 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2cccnc2)c1 170185123 WFHAVMAEFDNXFY-DEOSSOPVSA-N 442.515 5.269 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2C2CCCC2)c1 170218767 NMVCBVFXQJPPKB-DEOSSOPVSA-N 449.547 5.393 30 10 IKEE O=C(Cc1cc(Br)ccc1F)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 170221409 UDCIBIYHBTWAOG-UHFFFAOYSA-N 444.144 5.807 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccccc1)c1ccc2ccccc2c1 170234378 XEROUQGTUCSXAJ-VWLOTQADSA-N 437.470 5.757 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C(C)C)cc1 170245892 YQKBVGICFISHNI-QFIPXVFZSA-N 425.956 6.232 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccccc1F)c1ccc2c(c1)CCCO2 170247994 GTTIRELPUIMZOV-HSZRJFAPSA-N 447.437 5.073 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OCC)cc3)[C@H]2c2ccco2)cc1 170285335 HWJVDUIWENGUDE-QHCPKHFHSA-N 447.487 5.250 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(C)o2)cc1C 170308326 JLOVXLLMZQUHQY-HSZRJFAPSA-N 437.536 5.596 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2sccc2C)ccc1F 170312606 SIMWLGLVXUXAGD-SFHVURJKSA-N 427.522 5.344 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(OCC(C)C)cc2)cc1 170350156 IHTQNOZPSCVSMM-QHCPKHFHSA-N 447.556 5.874 30 10 IKEE CCN(CC)c1ccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@H]2c2ccc(OC)cc2)cc1 170426547 UPBFTQIPJGMAMK-XMMPIXPASA-N 436.552 5.057 30 10 IKEE CCOc1ccc(/C=C2\SC(=Nc3cccc(C(F)(F)F)c3)N(C)C2=O)cc1OC 252593813 BMJMLUVREAWAQT-SEXFUUHCSA-N 436.455 5.347 30 10 IKEE O=C1/C(=C\c2c[nH]c3ccc(Br)cc23)SC(=Nc2ccccc2)N1C1CC1 252611348 IJCKTLPHKMQYDC-TVZAGCQJSA-N 438.350 5.697 30 10 IKEE COc1ccc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccco3)C2=O)c(OC)c1C 254402222 KIKJYSRQNGNJJM-NGZUUMTHSA-N 434.517 5.409 30 10 IKEE CCOc1c(/C=C2\SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)cccc1OC 254628959 NDDNXPBVFUQIJI-XMIRZNSJSA-N 444.556 5.898 30 10 IKEE C=C1C[C@@]23CC[C@H]4[C@](C)(C(=O)O)[C@@H](OC(=O)/C=C/c5ccccc5)CC[C@]4(C)[C@@H]2CC[C@H]1C3 257386682 BJQOPHXIKHSJOP-GQYKJEOISA-N 448.603 6.275 30 10 IKEE biogenic C[C@@]12CC[C@@]3(C)[C@@](C)(CC[C@]4(C)C(=O)/C(=C/c5cccnc5)C[C@@]43C)[C@@]1(C)CC[C@H](O)C2 504647244 KJQCPCBMQUPVPN-YZHXXFFXSA-N 435.652 6.608 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(C)o2)c1 526487891 GZLBDNOZISHCHH-XMMPIXPASA-N 428.488 5.696 30 10 IKEE CCCCOc1cccc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2cccc(C#N)c2)c1 526518029 WJQLTTOVVKHPSB-QHCPKHFHSA-N 430.529 5.856 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(C)cc2)cc1Cl 526522798 SNNAMCYZBQYBHB-DEOSSOPVSA-N 444.918 5.976 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2c(C)[nH]c3ccccc23)c1 526607430 WDRGKOGQRFPVLY-RUZDIDTESA-N 435.483 5.414 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2ccc(Cl)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 526607536 XMEMADRCAMVXLP-NRFANRHFSA-N 431.835 5.177 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(Nc2cccc(C#N)c2)=C(Sc2ccccc2)C1=O 526656987 IZJZBOVZEDMSGN-UHFFFAOYSA-N 445.931 5.509 30 10 IKEE Cc1nnc(SCc2ccccc2)n1/N=C\c1ccc(OC(=O)c2ccc(F)cc2)cc1 526799122 GIUAVRGIOQJBFD-YSMPRRRNSA-N 446.507 5.119 30 10 IKEE N#Cc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2cccs2)cc1 526822208 HAOSQAXUZUFSQS-XYGWBWBKSA-N 429.574 5.171 30 10 IKEE CCCOc1ccc(/C=N\n2c(CC)nnc2SCc2cccc(F)c2)cc1Cl 526825128 KKKSWUOJPPPCQH-CFRMEGHHSA-N 432.952 5.596 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1ccc(Cl)c(Cl)c1 526825872 NCSXGBBMYBMPRQ-MSXFZWOLSA-N 437.371 6.241 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)NC2CCN(C(=O)Nc3cc(C)ccc3C)CC2)c1 585858661 BXNFQHUSCBUHHC-UHFFFAOYSA-N 448.611 5.567 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(CCC(C)C)Cc2ccc(C#N)cc2)cc1 586181015 MUXGWHAJYUXPTG-UHFFFAOYSA-N 426.626 5.918 30 10 IKEE COc1cc(C)c(C)cc1S(=O)(=O)N(Cc1cccc(C#N)c1)c1ccc(C)c(C)c1 586218029 CAAGMCHWXCBVJC-UHFFFAOYSA-N 434.561 5.196 30 10 IKEE C=CCCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586241264 LPMPGDQKYXSJPI-UHFFFAOYSA-N 448.371 6.557 30 10 IKEE C[C@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)CN1C(=O)OC(C)(C)C 698871287 UFIGSLPCNPLWMV-QMHKHESXSA-N 433.524 5.249 30 10 IKEE CC(C)(C)OC(=O)N(CCN=[N+]=[N-])[C@@H](C#N)c1ccc(Br)c2cccnc12 698965153 OSQPOIPGFHHTLQ-HNNXBMFYSA-N 431.294 5.109 30 10 IKEE CCCCCCCCCC[C@@H](NC)c1scc(Br)c1Br 705454645 AXYLJUCSZZPZRF-CQSZACIVSA-N 425.274 7.064 30 10 IKEE O=C(COc1ccc(C=Nc2ccc(Br)cc2)cc1)Nc1ccccc1Cl 1084148845 ZOVZECAVACQQQS-UHFFFAOYSA-N 443.728 5.871 30 10 IKEE CC(=NNc1nc(SCCC(=O)Nc2cccc(C)c2)n[nH]1)c1ccc2ccccc2c1 1084198021 UFHPWABRZSCARV-UHFFFAOYSA-N 444.564 5.223 30 10 IKEE Cc1ccc(Cl)cc1N=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1 1084363887 BMMWHWFQIYLFSX-UHFFFAOYSA-N 441.177 7.559 30 10 IKEE O=C(O)c1cccc(N=C2S/C(=C/c3ccccc3Cl)C(=O)N2c2ccccc2)c1 1772738102 UKSLTILQCXEYEZ-SKYIDQJDSA-N 434.904 5.847 30 10 IKEE COc1ccc(OC)c(/C=C2/SC(=Nc3cccc(C)n3)N(c3ccccc3)C2=O)c1 1772738410 RRIAAQXOKKENLR-LLLXPECQSA-N 431.517 5.216 30 10 IKEE CSc1ccc(Cl)cc1CC(=O)NCc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1 1860890647 LBGNMJOUTIATNL-UHFFFAOYSA-N 449.963 5.045 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)CCCOc1ccccc1 1861694658 CLLCUZWWFGPFTH-XMMPIXPASA-N 432.649 5.778 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](CCCC)NC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 1862234614 ZRIGJTILEMMHGL-IWCMWKPHSA-N 446.591 5.154 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(CC)CC)[C@@H]2c2ccccc2)cc1 1862387022 AZPAYLVYCSFDCR-RUZDIDTESA-N 448.607 5.339 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2ccc(OCC)cc2)cc1 1862393371 UPUCCYSRMLLLAA-UUOWRZLLSA-N 435.564 5.805 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 1862397246 OUUJUTNQFQSSFD-CLOONOSVSA-N 447.619 6.704 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccccc1 1862429230 IVFMGFBBSKTDFZ-NRFANRHFSA-N 427.928 5.125 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(O)cc1 1862430360 IVNXQSKKIWUCTA-IVZQSRNASA-N 433.891 5.385 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccccc2)cc1 1862431873 QHLDMSZDXRNBIG-QFIPXVFZSA-N 433.891 5.127 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccccc1F)c1cccc(Cl)c1 1862443307 OJXUMHAKOPVLOO-OAQYLSRUSA-N 427.903 5.780 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccc(O)cc2)cc1 1862489779 GQGNAGZGHXRREN-XMMPIXPASA-N 427.500 5.096 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@@H]2c2cccc(O)c2)cc1 1862533038 KARKFUSFTKOOIL-RUZDIDTESA-N 441.527 5.084 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2cccc(Cl)c2)cc1 1862535523 DXAFHDMTWJVYIK-QHCPKHFHSA-N 449.909 5.820 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc2cc[nH]c2c1 1862546513 ZCTOKIBQHDHZAG-XMMPIXPASA-N 428.532 5.281 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862561489 VBJTVQPRJVGBIV-VWLOTQADSA-N 444.575 5.861 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@@H]1c1ccccc1)c1cccc2ccccc12 1862648520 DFWAJLKTNFSSHB-RUZDIDTESA-N 437.470 5.757 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc([N+](=O)[O-])c1 1862654678 PKQURQSAKKUINT-OYHNWAKOSA-N 430.460 5.125 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(Cl)cc1 1862660227 HGABNTWXGRAMTF-OAQYLSRUSA-N 427.928 5.078 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 1862667230 WNNMPZGXIRKDBE-RUZDIDTESA-N 445.603 6.628 30 10 IKEE O=C(C1=C(O)C(=O)N(C23CC4CC(CC(C4)C2)C3)[C@H]1c1cccc(F)c1)c1ccc(F)cc1 1862672545 CSBGIQPHESNYKT-TVQFERKRSA-N 449.497 5.512 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 1862675263 GCRANTLLDMGJAW-QFIPXVFZSA-N 441.930 6.170 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccccc1F 1862687016 FHIFJOGPJJTCKT-JPYJTQIMSA-N 439.527 5.772 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(C)cc1 1862687893 QZUAZYBPVKBVMN-ZJSXRUAMSA-N 435.564 5.941 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2C2CCCC2)c1 1862707292 SOLNFKLUFWOPNT-HSZRJFAPSA-N 435.520 5.005 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccc1F 1862714976 IWWUCVHUSFVJRF-WQWSHVPRSA-N 443.518 6.136 30 10 IKEE CCCc1nc(Nc2ccc(C#N)cc2)cc(N2C[C@H](C)N(c3ccccc3)[C@@H](C)C2)n1 1868401246 UBGSDGYJOXJAGS-PMACEKPBSA-N 426.568 5.148 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](Cc1ccccc1)NC(=O)C[C@@H](c1ccc(C)c(C)c1)C1CC1 1868688313 FXSOQQNTZCDLLL-SXOMAYOGSA-N 444.619 5.115 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCC(C)C)c(=O)cc1CN1CCC(C)CC1 1870423884 QVWMCLSMVJXJHB-UHFFFAOYSA-N 448.648 5.019 30 10 IKEE CCCCCCCCn1cc(OCc2cccc(C)c2)c(=O)cc1CNc1cccc(C)c1 1871070840 ALDAQEAZPNDQFM-UHFFFAOYSA-N 446.635 7.017 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(C(C)C)cc1)C3=O)CN(CCc1ccccc1)CO2 1871349112 XTLWABVXRQSKBX-YSMPRRRNSA-N 439.555 6.129 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc([N+](=O)[O-])cc1)C3=O)CN(C1CCCCCC1)CO2 1871353328 LKGIODUTHZDSRA-UUYOSTAYSA-N 434.492 5.394 30 10 IKEE Cc1c(OC(=O)c2c(F)cccc2Cl)ccc2c1O/C(=C\c1ccccc1Cl)C2=O 1871375713 ZOUZXRBQZIMQAC-ODLFYWEKSA-N 443.257 6.276 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)c1 1871388800 DJKDQHLFMMQZIX-UUYOSTAYSA-N 448.858 5.491 30 10 IKEE C[C@@H]1C[C@@H](C)CN(Cc2c(O)ccc3c2O/C(=C\c2ccc(Br)cc2)C3=O)C1 1871396348 BDWWWIRMYFDNKP-KEBOPYBWSA-N 442.353 5.249 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccc(F)cc4)cc(C)c3C2=O)c1 1871400429 BUEWLYXSENHTLM-SUVVMJBMSA-N 431.463 5.465 30 10 IKEE Cc1c(O[C@H](C)C(=O)Nc2ccccc2)ccc2c1O/C(=C\c1ccc(Cl)cc1)C2=O 1871405875 RQZQZDGPPDTWTL-LRSOKBAUSA-N 433.891 5.671 30 10 IKEE Cc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O 1871409840 SVIVWBSNUCITAB-SUVVMJBMSA-N 447.918 5.979 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCCOc4ccc(OC)cc4)ccc3C2=O)cc1 1871414760 NUVAWMYJJALEMR-XYGWBWBKSA-N 432.472 5.168 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O)Nc1nccs1 1871443065 YEDBZHUTGBIVJV-IUXPMGMMSA-N 447.299 5.084 30 10 IKEE CCc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871454789 XYWYGYDFVKLRRW-QRVIBDJDSA-N 433.891 5.536 30 10 IKEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(Cl)cc1 1872522872 FVPPYIIPEZARGT-JOCHJYFZSA-N 449.016 5.187 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NS(=O)(=O)c1ccc(C)c(C)c1 1872612370 CDXSMAKJOQXEOI-HSZRJFAPSA-N 438.678 5.397 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(C)c(C)c1 1872613137 LMYWLPFOTBESTC-QHCPKHFHSA-N 438.678 5.253 30 10 IKEE N#C[C@H](C(=O)Cc1cc(Cl)ccc1Cl)c1nc(-c2ccc3ccccc3c2)cs1 1872760210 JMAUVYYFUVUTGS-LJQANCHMSA-N 437.351 6.689 30 10 IKEE N#C[C@H](C(=O)C(c1ccccc1)c1ccccc1)c1nc(-c2ccc3ccccc3c2)cs1 1872760395 NHTLXWDRFYKZEJ-RUZDIDTESA-N 444.559 6.972 30 10 IKEE Cc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 1872762890 YZZGBZUCGVRURX-GOSISDBHSA-N 445.371 6.461 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3cc(Cl)ccc3Cl)n2)cc1F 1872774874 DYUKODDKMHTKGC-CQSZACIVSA-N 435.307 5.684 30 10 IKEE CCc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3cccc4ccccc34)cs2)cc1 1872774903 FRDDEAGVXRYQOB-DEOSSOPVSA-N 440.568 6.561 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H]2CCCC[C@H]2C)=C(c2c(C)cc(C)cc2C)C1=O 1873121509 GEVITLDMEPMFKD-NFBKMPQASA-N 438.656 6.221 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2OC)C(=O)N(C2CCCCCC2)C1=O 1873153013 RLHBNHPXKOMLNM-UHFFFAOYSA-N 426.601 5.448 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2)C(=O)N(CCc2cccs2)C1=O 1873159104 DWKKHUXEPRHOHF-UHFFFAOYSA-N 438.637 5.801 30 10 IKEE C=CCN(CC=C)C(=O)c1ccc2nc(-c3ccccc3OCc3ccc(C)cc3)[nH]c2c1 1873504327 QYTFZGBKOLLJJT-UHFFFAOYSA-N 437.543 5.932 30 10 IKEE CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccccc1OC(C)C 1874215372 JFMFMEYNVFWKRB-WYMPLXKRSA-N 444.988 5.519 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2ccccc2C)nnc1-c1ccccc1Cl 1874364754 SYRZCEFEXQMPIK-CVKSISIWSA-N 448.979 6.090 30 10 IKEE Cc1cccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2C)c1 1874379461 SZIOHRTURRRUQY-JVWAILMASA-N 430.552 5.799 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2cccc(Cl)c2)cc1 1874390097 UULJPHTZYYROFU-OVVQPSECSA-N 447.007 6.048 30 10 IKEE CSc1nnc(CCc2ccccc2)n1/N=C/c1ccc(OCc2ccc(C)cc2)cc1 1874397852 LUHYXBTZWUNUNH-OVVQPSECSA-N 442.588 5.555 30 10 IKEE Clc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccccc2)cc1 1874402447 AUHYBAVFJYFJKL-YZSQISJMSA-N 432.980 5.891 30 10 IKEE Cn1cccc1/C=N/n1c(CCc2ccccc2)nnc1SCc1cccc(Cl)c1 1874404148 KNAJUXDFFSRFKB-PCLIKHOPSA-N 435.984 5.230 30 10 IKEE Cc1cccc(CSc2nnc(Cc3cccs3)n2/N=C/c2cccc([N+](=O)[O-])c2)c1 1874410553 ZNMSMCDHTSWKGJ-OEAKJJBVSA-N 449.561 5.322 30 10 IKEE CSc1nnc(Cc2ccccc2)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874415319 JQMLXGDWPHBDGF-WGOQTCKBSA-N 448.979 5.705 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2ccccc2F)c1 1874426579 PJYKZDOCTNSZFY-CVKSISIWSA-N 445.523 5.006 30 10 IKEE CCOc1cc(/C=N/n2c(SCc3ccccc3F)nnc2-c2ccccc2)ccc1O 1874428480 LDAZIMHLXUWRKC-CVKSISIWSA-N 448.523 5.363 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCc3ccccc3C)nnc2[C@H]2CCCO2)cc1 1874443535 FACBDPHOZPOFCD-NWJFTTBMSA-N 449.624 5.459 30 10 IKEE Clc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2[C@H]2CCCO2)cc1 1874451105 RGWSEOARFMPZRC-BYWZACNXSA-N 433.364 5.611 30 10 IKEE COc1cc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccco2)cc(Cl)c1O 1874466960 LGNGOHHEMPQRGN-FSJBWODESA-N 440.912 5.080 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc(OC)c(O)c1 1874479863 WATKLZAKDDZPAV-YDZHTSKRSA-N 430.961 5.163 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)C)n2/N=C/c2cccc3ccccc23)c1 1874490012 VKIWIARUIXTBKD-JVWAILMASA-N 428.605 6.421 30 10 IKEE CCCOc1ccc(/C=N/n2c(CCC)nnc2SCc2ccccc2Cl)cc1 1874508181 QBPOPRBDYRYGOU-BUVRLJJBSA-N 428.989 5.847 30 10 IKEE Cc1cccc(C)c1NC(=O)CSc1nnc(C2CC2)n1/N=C/c1ccc(Cl)cc1 1874519353 OSOILXJNBOZFNM-WYMPLXKRSA-N 439.972 5.039 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCC(=O)OCC(C)C)cc1 1874572712 BBVQULQHQUFHMH-ZHACJKMWSA-N 430.928 5.385 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3ccccc3c2/C=C/C(=O)c2ccc(C)cc2C)c1 1874578875 KWIYAGVTWAJISP-CCEZHUSRSA-N 449.550 6.679 30 10 IKEE CCCNC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(Cl)c(Cl)c1 1874579533 TYKVSKUFIRAHFP-QPJJXVBHSA-N 426.727 5.448 30 10 IKEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1cccc2ccccc12)Nc1ccccc1 1874583668 ZUKDZISQYXYSOI-FYWRMAATSA-N 441.914 6.407 30 10 IKEE COC(=O)c1ccc(COc2ccccc2/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)o1 1874584437 OCYAGMNDKMRVAS-JLHYYAGUSA-N 448.515 5.847 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OCc3ccc(C(=O)OCC)o3)c2)cc1 1874595909 IMUQYBBCNHNAJQ-RIYZIHGNSA-N 434.488 5.720 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc1OCCc1ccccc1 1874600229 ATDSZWBMIKHEOS-PKNBQFBNSA-N 436.935 6.183 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1)Nc1ccc(F)cc1 1874602519 QOJLOHKAWPHNEG-FRKPEAEDSA-N 425.459 5.893 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2)c(Cl)c1)c1ccc(Br)cc1 1874608072 VFWJIPGYVFMGKF-WUXMJOGZSA-N 427.725 6.578 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)OC)c(Cl)c2)cc1OCCC 1874612829 NZOCQBQCSSFFBO-RMKNXTFCSA-N 446.927 5.366 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(C)cc1 1874613536 ZNMLKCNFKIGVAH-UKTHLTGXSA-N 449.934 5.961 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1 1874617194 PRQZZQYFMUCABF-RIYZIHGNSA-N 449.934 6.042 30 10 IKEE CCCNC(=O)COc1c(Cl)cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1OC 1874629115 MUZUXNYYNWVCKR-CMDGGOBGSA-N 443.971 5.383 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1Cl 1874636323 VIQCMDRNSURPDQ-UUILKARUSA-N 439.870 5.401 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OC(=O)c1cc2ccccc2n1C 1874697369 UKAIQWVPDFSTPG-ACCUITESSA-N 445.902 5.956 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1ccc(C)cc1 1875098732 JKXFNPJYOUPSBX-OQLLNIDSSA-N 426.512 5.998 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)c1ccc(F)cc1F 1875128897 AGHPPVUTLDCVRU-JLHYYAGUSA-N 434.438 5.817 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3Cl)c(Cl)c2)c(C)c1 1875131676 JMUBJVRFOZSMAR-DHZHZOJOSA-N 425.311 6.726 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)c1 1875138280 RVDKJMRUECMTCU-VGOFMYFVSA-N 435.317 6.181 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 1875138822 YCJARZPLHVTKMC-QLKAYGNNSA-N 449.434 5.638 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)COc1ccc(C)cc1C 1875142884 XYNCEMPSAGBUME-UXBLZVDNSA-N 448.490 5.640 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)c3ccccc3)c(OC)c2)cc1F 1875153688 SSJUZONGVYYCSR-KQPPXVQYSA-N 434.463 5.448 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2OC)cc1 1875156950 LPSQBFOVVAQSHG-VIZOYTHASA-N 444.527 5.871 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)[C@@H](C)c1ccccc1 1875169751 RFMFQNQFKXXBIY-VKXNWWILSA-N 442.555 6.534 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)CC(C)(C)C)c(OC)c2)cc1Cl 1875186936 GNFKOHXBMUBNQU-VQHVLOKHSA-N 446.927 5.604 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3C)c(Cl)c2)cc1Cl 1875188682 DSZXLAUWLQVLGN-JXMROGBWSA-N 441.310 6.426 30 10 IKEE N#Cc1ccc(CC(=O)NCCSc2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)cc1 1891764924 FKUSCDXUCYZXCS-UHFFFAOYSA-N 445.975 5.811 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(C)C 1922107656 NPQJNTYYBNFWKQ-XZOQPEGZSA-N 432.649 5.703 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCCC[C@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1930146980 BOHSQIKQFUVVAQ-CJFMBICVSA-N 443.588 5.401 30 10 IKEE C=CCC[C@@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](CCCC)C(=O)O 1958048394 RQBXSFWQCDGFHQ-SHQCIBLASA-N 435.564 6.141 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCCN(C(=O)OC(C)(C)C)C2)cc1 2005381457 AIMRBSGMYYDHLM-DEOSSOPVSA-N 429.561 5.420 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 2005383884 ZYMJVARMHCLCRX-HSZRJFAPSA-N 433.524 5.251 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)C(C)(C)NC(=O)OC(C)(C)C)cc1 2020508990 AFPFSFHPEVQTES-HSZRJFAPSA-N 433.549 5.022 30 10 IKEE C=CCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCN(C(=O)OC(C)(C)C)C12CCCCC2 2024620673 GEMIKQQFRUTWCW-XMMPIXPASA-N 433.593 5.406 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@](C)(C#N)CSC(C)(C)C 2028151930 MWQNKXUFIIXESM-IBGZPJMESA-N 427.408 6.005 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)cc1 2031670609 SZCNXJCHYSAKAO-FQEVSTJZSA-N 441.503 6.179 30 10 IKEE Cc1ccc([C@H](n2nc(C3CC3)c(/C=N/O)c2I)C2(C)CC2)c(C)c1 2079032953 MLUOHCJDHNMTDL-QPHXDFOYSA-N 449.336 5.180 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@]1(C#N)CCN(Cc2ccccc2)C(C)(C)C1 2079238358 NJALBYCEOSTVIC-AREMUKBSSA-N 437.559 5.904 30 10 IKEE CC(C)Oc1ccc([C@H](C2CCC2)n2nc(C3(C)CC3)c(C=NO)c2Br)cc1 2080057631 LRXAJDXWHHAZLG-IBGZPJMESA-N 446.389 5.682 30 10 IKEE N#Cc1c(C2CCCC2)nn(-c2cc(F)c(F)cc2Br)c1Br 2080310398 ONUBWEAQPQBSMO-UHFFFAOYSA-N 431.078 5.205 30 10 IKEE CCN[C@H](CC#C[Si](C)(C)C)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2130923100 FVHZULVEFSNQKJ-GOSISDBHSA-N 439.470 5.718 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1ccc2[nH]ccc2c1 2145027997 IIKPHACYRRFXKW-IBGZPJMESA-N 426.314 5.937 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@H]2Nc2ccc(C#N)c(Br)c2)C1 2156235488 BMPMCBCSZYXGCA-WIYYLYMNSA-N 434.378 5.302 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@H](Nc3cc(Br)ccc3C#N)C[C@@H]21 2166985134 SJFHYUVKGVYQBY-LJHODMEESA-N 434.378 5.301 30 10 IKEE CC[C@H]1CN(c2cc(Br)cc(F)c2C#N)[C@H](CC)CN1C(=O)OC(C)(C)C 2174809346 YRUSMTRTHXOHDX-CABCVRRESA-N 440.357 5.074 30 10 IKEE CCCN(C[C@H]1CCCCN1C(=O)OC(C)(C)C)c1ccc(C#N)c(Br)c1 2174812847 PNQLREXNJKZLFI-GOSISDBHSA-N 436.394 5.327 30 10 IKEE C=CCCCCCC[C@@H](NC)[C@@H](O)c1cc(Br)c(Br)s1 2206889953 DMWAIPIRDCTJAO-TZMCWYRMSA-N 425.230 5.421 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)cc1OC 2239649844 LNSKZACOOYUJGR-PKOBYXMFSA-N 441.410 5.358 30 10 IKEE C=C(C)CCCC[C@H](N)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2250180871 GECFLOONJNWSOQ-QHCPKHFHSA-N 429.649 5.400 30 10 IKEE C=CC[C@]1(COc2cc(N)cc(Br)c2)CCCCN1C(=O)OC(C)(C)C 2272096685 RCKJZGWFUVSGPP-HXUWFJFHSA-N 425.367 5.146 30 10 IKEE C=C(COCc1ccccc1)[C@@]1(OCCCN)CN(Cc2ccccc2)C2(CCCCC2)C1 2277207895 DWMCZXNFROWVMR-LJAQVGFWSA-N 448.651 5.472 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@](C)(CC(C)C)NC(=O)OC(C)(C)C 2296283446 GZNFWVZRRQIOTA-DENIHFKCSA-N 437.422 5.108 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)CC(C)(C)[C@H](C)NC(=O)OC(C)(C)C 2296296773 RHYHAAZWROKXBD-LPHOPBHVSA-N 437.422 5.108 30 10 IKEE CCCCCCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)C(=Cc3cnn(C)c3)C[C@H]12 2297110565 WVXXEBLHRGPWQV-LTGLEFCMSA-N 446.635 6.498 30 10 IKEE CC(C)(C)OC(=O)NC1([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)CCCC1 2302437748 RHLWYCDNBSJTAN-LJQANCHMSA-N 435.609 5.676 30 10 IKEE Cc1c(Cl)cccc1N=C1NC(=O)C(=Cc2cc(C)n(-c3ccc(F)cc3)c2C)S1 2313560192 MGVLEFXSEMOPFK-UHFFFAOYSA-N 439.943 6.087 30 10 IKEE CCOC(=O)[C@H](Oc1ccc2c(c1)OC(=Cc1cccc(Cl)c1)C2=O)c1ccccc1 2314437800 WYRSRVHGSADAQB-XMMPIXPASA-N 434.875 5.639 30 10 IKEE C[C@@H]1CCc2c(C#N)c(NC(=O)C=Cc3ccc(Cl)c(Cl)c3)sc(=S)c2C1 2314793737 YUBREYZZAZLOEZ-LLVKDONJSA-N 435.401 6.433 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCc4ccc(Br)cc4)cc(C)c3C2=O)cc1 2321847394 NTKFZJJRCJAUFZ-UHFFFAOYSA-N 449.344 6.515 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3c(ccc4c3CN(CCCn3ccnc3)CO4)C2=O)cc1 2322106844 DLWVHVWCZSGCSF-UHFFFAOYSA-N 443.547 5.039 30 10 IKEE CCOc1ccccc1C=Nn1c(S)nnc1CCCOc1ccc(C(C)(C)C)cc1 2322278385 PUQSSOIKBCZAIP-UHFFFAOYSA-N 438.597 5.157 30 10 IKEE O=C(C=Cc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)c1ccccc1 2322545496 ICVROTRHTPYTSU-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE Cc1ccc(C)c(COc2ccc(Br)cc2C=CC(=O)c2ccc(F)cc2)c1 2322747984 VIGUSPGZZZWGFC-UHFFFAOYSA-N 439.324 6.680 30 10 IKEE CCc1ccccc1NC(=O)COc1ccccc1C=CC(=O)c1ccc(OC)c(Cl)c1 2322974905 MCOWPBTVFJEIHR-UHFFFAOYSA-N 449.934 5.825 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC)c(OCc3cccc(Cl)c3)c2)cc1 2323076124 STDWFMZPUCRFJP-UHFFFAOYSA-N 434.963 7.166 30 10 IKEE O=C(COc1cccc(C=CC(=O)c2cc(Cl)ccc2Cl)c1)Nc1ccccc1F 2323328068 VSRUICWLONUEQP-UHFFFAOYSA-N 444.289 6.046 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OCCCO 2323353575 QGWAOZYYIKIMSY-UHFFFAOYSA-N 428.528 5.748 30 10 IKEE Cc1ccc(C)c(COc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2[N+](=O)[O-])c1 2323374734 CPYFWYYHMRCGPL-UHFFFAOYSA-N 432.432 5.595 30 10 IKEE Cc1cc(OC(=O)Cc2ccccc2[N+](=O)[O-])cc2c1C(=O)C(=Cc1ccc(Cl)cc1)O2 2323388374 XDZCTROHOSIAER-UHFFFAOYSA-N 449.846 5.321 30 10 IKEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1cccc(F)c1 2323674545 FASNEWYXMIPENS-UHFFFAOYSA-N 441.842 5.871 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(C=CC(=O)c3cccc(Cl)c3)cc2Cl)c1 2323766069 HAZWVQSTAFVYLD-UHFFFAOYSA-N 440.326 6.215 30 10 IKEE CCCCCOc1ccc(C=NNc2nc(-c3ccc(C)c(C)c3)cs2)cc1OCC 2323857980 MBJNTBZBUPJNMF-UHFFFAOYSA-N 437.609 6.841 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCc4ccc(C(=O)OC(C)C)cc4)c3C)C2=O)o1 2324608271 FYLYJZGMLSYLEE-UHFFFAOYSA-N 432.472 5.657 30 10 IKEE Cc1ccccc1C=Nn1c(Cc2ccccc2)nnc1SCc1cccc(Cl)c1 2325494499 JYZPRIYLQISYNT-UHFFFAOYSA-N 432.980 6.005 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3c(C)cccc3C)c2)cc1 2325712974 QKZCOPVYOYASKH-UHFFFAOYSA-N 442.555 6.527 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccccc1C)C2=O 2325737647 PFYOHPABTHKUCH-UHFFFAOYSA-N 427.500 5.500 30 10 IKEE Cc1c(OCC(=O)Nc2ccccc2F)ccc2c1OC(=Cc1ccccc1Cl)C2=O 2325739426 DIBDEAVQPTZQQE-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC)c3ccccc23)cc1OC(=O)c1ccccn1 2325775697 OAYUHWYXWLHKBM-UHFFFAOYSA-N 439.467 5.367 30 10 IKEE C=CCSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1cccc(Cl)c1 2325964984 SKEIZLWEPBQVDF-UHFFFAOYSA-N 447.789 5.445 30 10 IKEE C=CCSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1cccc(Cl)c1 2326399274 JPLKQXPAZQKXQK-UHFFFAOYSA-N 441.000 5.720 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(Cl)cc3)n2N=Cc2ccncc2)c1 2329082149 IFFRQFFAXFRKJY-UHFFFAOYSA-N 433.968 5.400 30 10 IKEE Cc1ccc(CSc2nnc([C@H](C)c3ccccc3)n2N=Cc2ccccc2C)cc1 2330050749 YQPPICRHZSZAKC-OAQYLSRUSA-N 426.589 6.221 30 10 IKEE Fc1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2cccc(Cl)c2)cc1 2330460711 CUXOMGYBXMJHSI-UHFFFAOYSA-N 436.943 5.836 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)ccc1OC(=O)[C@H](C)c1ccccc1 2330765320 ZQPSKCCEKHCRJY-HXUWFJFHSA-N 428.528 6.253 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccccc1Cl 2330867556 JVBSACVOSVQIEX-UHFFFAOYSA-N 433.408 6.348 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2c(F)cccc2Cl)nnc1[C@H]1CCCO1 2331007327 GBMUGLWUBQYWCZ-LJQANCHMSA-N 430.936 5.405 30 10 IKEE Cc1ccccc1CSc1nnc(C(F)(F)F)n1N=Cc1cc(Cl)ccc1O 2331115575 QDOXKDJHGKJGKX-UHFFFAOYSA-N 426.851 5.139 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(F)(F)F)n2N=Cc2ccc(C(C)C)cc2)c1 2331138367 WHCJAVCUVLVFPZ-UHFFFAOYSA-N 432.515 6.212 30 10 IKEE Cc1ccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C(F)(F)F)cc1 2331145034 MFSZIPNFPQDUFY-UHFFFAOYSA-N 445.297 6.087 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1Cl)c1cccc(F)c1 2331472583 GALIWNNFIPYYOD-UHFFFAOYSA-N 430.862 6.748 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2C(C)C)cc1 2331685223 XLKXXUNZBIMZTC-UHFFFAOYSA-N 426.561 5.894 30 10 IKEE COc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C(C)C)cc1OC 2331708331 DLRMWWWCPAVGAC-UHFFFAOYSA-N 430.961 5.247 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(C3CC3)n2N=Cc2ccc(Cl)cc2)c1 2331717397 IGBNLKFSQJXBHX-UHFFFAOYSA-N 439.972 5.039 30 10 IKEE CCCOc1c(C=NNc2oc(Cc3cccc4ccccc34)nc2C#N)cccc1OC 2331932572 BLOVGIVAWMVJFY-UHFFFAOYSA-N 440.503 5.534 30 10 IKEE CCC(CC)(CNC(=O)OC(C)(C)C)Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339589136 SGZMXTAHYRHRAX-CCEZHUSRSA-N 445.413 5.222 30 10 IKEE N#Cc1c(-c2cccc(OCc3ccc(F)cc3)c2)c(C#N)c2nc3ccccc3n2c1N 8426024 NFFPZWIPSVSAMZ-UHFFFAOYSA-N 433.446 5.198 30 10 IKEE O=C1CCCC2=C1[C@H](c1ccccc1Cl)n1nc(SCc3ccc(F)cc3)nc1N2 9597402 YJIAKZCIYDVBLB-FQEVSTJZSA-N 440.931 5.385 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1sccc1C)N2 14455887 KXWPJCHNTNUVFP-JQVVWYNYSA-N 426.607 5.246 30 10 IKEE CN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)S/C1=N\c1ccc(C(=O)O)cc1 15009873 FZCNCOBZPHSVAO-WRANEOQNSA-N 438.892 5.532 30 10 IKEE CCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccc(CC)cc1)C2 21256595 BBGGGIFCHZHUNU-ONOMSOESSA-N 438.571 6.627 30 10 IKEE COc1cc(/C=N\n2cnnc2SCc2ccc(C)cc2)ccc1OCc1ccccc1 33345995 DAHBYLZGIOAQND-DICXZTSXSA-N 444.560 5.349 30 10 IKEE COc1cc(/C=C\c2cc(-c3ccc(C)cc3)n3c(nc4ccccc43)c2C#N)cc(OC)c1 33499586 AUAJLWJCAAMORX-RAXLEYEMSA-N 445.522 6.522 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C\c2cccc(OC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 34955194 AFSRXGRIBQMIBU-DHDCSXOGSA-N 444.527 6.117 30 10 IKEE O=C1NC(=N/c2ccc(Cl)cc2)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S1 35517595 MNYNBTMNTVNGOJ-WQRHYEAKSA-N 425.853 6.036 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCCC)c2)[C@@H]1c1cccc2ccccc12 40101567 QLNGKTBGQVDQFE-VWLOTQADSA-N 443.543 6.007 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OC/C=C/c4ccccc4)c3C)C2=O)c1OC 41436270 IIZLIVNEXCMQBM-XLIXHTINSA-N 428.484 5.721 30 10 IKEE COc1ccc(/C=N/Nc2nc3ccccc3s2)cc1COc1ccc([N+](=O)[O-])cc1 59120106 JGFDQPNTJQTHBM-YDZHTSKRSA-N 434.477 5.238 30 10 IKEE Cc1ccc(/N=C/c2cc(Br)cc(Br)c2O)c(Br)c1 59465111 NFWKQXDLXAQRGY-CNHKJKLMSA-N 447.952 5.739 30 10 IKEE CC[C@@H](C)Oc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(C(C)(C)C)cc2)C3)cc1 59530919 IMQMAGOPMLRRKF-JLGINSKQSA-N 445.603 6.166 30 10 IKEE C=CCn1c(SCc2cccc(C(=O)NCc3ccco3)c2)nnc1-c1ccc(C)cc1 96290998 KIEAXFMOBDKERE-UHFFFAOYSA-N 444.560 5.255 30 10 IKEE CCc1ccc(-c2nc(NC(=O)/C=C\c3ccc(OCC#N)c(OC)c3)sc2C)cc1 97986638 DXKGQAOTDZBMAU-WQLSENKSSA-N 433.533 5.244 30 10 IKEE CCCCCCCOc1ccc(C(=O)Oc2ccc(Br)cc2Cl)cc1 100219491 WXLCOMXSKGTTRX-UHFFFAOYSA-N 425.750 6.671 30 10 IKEE CCCCCCCC(=O)NC(=S)Nc1cccc(C(=O)N(CC)c2ccccc2)c1 100305525 OWEGUNVNPCURBB-UHFFFAOYSA-N 425.598 5.527 30 10 IKEE CCCCCCCCCCCn1c(C)c(C(N)=O)c(-c2cccc(O)c2)c1CCCCC 102448721 CZFUVSWCUNLWND-UHFFFAOYSA-N 440.672 7.532 30 10 IKEE Cc1cc(N2C(=O)C(=O)/C(=C(\O)c3cc4ccccc4o3)[C@@H]2c2ccc(C(C)C)cc2)no1 102733145 YQYVRQNEOWQWCO-FEYWKWKCSA-N 442.471 5.479 30 10 IKEE N#C[C@H]1CCCC[C@H]1Nc1c(Br)cc(Br)cc1Br 104013822 PWLCZYHNTZFBDU-PRHODGIISA-N 436.973 5.468 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2cccc(F)c2)c1 169928853 WJRIVAFDDYRCKO-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccc(F)cc2)c1 169929375 OVJFWPVZNKYELZ-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2cccc(C)c2C)c1 169933844 YJIHSRGWZWPYRQ-VWLOTQADSA-N 441.527 5.712 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccc(O)cc2)c1 169961604 GWELHOVVZNHUFD-QFIPXVFZSA-N 449.890 5.227 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@H]2c2cccs2)cc1 169986238 LLLHEBOTKXCLJX-QHCPKHFHSA-N 425.509 5.993 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1)c1cccc(Cl)c1 170063174 RIVQGLQFBRUXOT-HXUWFJFHSA-N 442.273 5.915 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(F)cc2)cc1 170065250 PAIRMIHZFFSMEP-QHCPKHFHSA-N 433.454 5.306 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1cccc(C)c1 170139170 GLXWOWSQOXWIOV-JOCHJYFZSA-N 433.529 5.152 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2)[C@H]1c1cccc(OC(C)C)c1 170153145 UHFAAAPVFUALCW-HSZRJFAPSA-N 437.536 5.251 30 10 IKEE Cc1sc(C2=C(N)N(Cc3ccc(OC(C)(C)C)cc3)CC2=O)nc1-c1ccccc1 170181103 UXXOJNMOJOAEJJ-UHFFFAOYSA-N 433.577 5.008 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccnc2)cc1C 170194320 RNFMUEGWRNGMNU-HSZRJFAPSA-N 434.536 5.090 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccccc2)c(C)c1 170225389 IUCLFSFMJXQFCD-XMMPIXPASA-N 427.500 5.403 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1ccc(Cl)cc1 170236207 KSPJKJNMKZJAHC-JOCHJYFZSA-N 439.983 6.324 30 10 IKEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(F)c4)[C@H]3c3ccccc3F)ccc2O1 170248007 NTKIUXUAJFLVIG-PSLXWICFSA-N 447.437 5.071 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2CCOC)cc1 170264934 OHHOSETVWRFAKP-HSZRJFAPSA-N 435.564 5.080 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccco2)c(C)c1 170289444 FYNHSUFHGMYJQN-QHCPKHFHSA-N 431.488 5.467 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(C)o2)cc1 170300814 CBKUQXFQBWOJMZ-QHCPKHFHSA-N 431.488 5.250 30 10 IKEE C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OCCC)c(C)c3)=C(O)C(=O)N2CCC)c1 170324460 CNTVTSAESHDXJH-XMMPIXPASA-N 449.547 5.337 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(N(C)C)cc2)cc1 170378259 NHQCAJNYUNWJMM-HSZRJFAPSA-N 446.572 5.720 30 10 IKEE Cc1cccc(N=C2S/C(=C3\C(=O)Nc4ccc(C)cc43)C(=O)N2c2cccc(C)c2)c1 252624122 PGTGMJXKKDIUMY-SHXUIJRESA-N 439.540 5.743 30 10 IKEE C=C(C(C)C)[C@H](CC)CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 255194148 ALRMQDKADQHRGT-BARFHZGGSA-N 440.756 8.581 30 10 IKEE CCCCOc1cccc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 526487854 AQQBBLAPWBFRNJ-QHCPKHFHSA-N 430.529 5.856 30 10 IKEE COc1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1Cl 526520699 JHYZFLJVMATFKG-QFIPXVFZSA-N 434.854 5.417 30 10 IKEE Cc1ccc(CSc2nnc(C)n2/N=C\c2ccccc2COc2ccccc2)c(C)c1 526810665 GGFGOEXKUSOUAK-YUMHPJSZSA-N 442.588 5.957 30 10 IKEE C=CCCCCC[C@@H](NCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 693694861 YMOKVLYDWIHSMW-BVAGGSTKSA-N 429.649 5.270 30 10 IKEE CC(C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@H]1[C@H]1CCCCN1C(=O)OC(C)(C)C 698383065 XZQNJZFXRBBITA-GLDPYIMESA-N 435.609 5.484 30 10 IKEE CC(C)[C@@H]1CCCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 698460249 YRLFJSIQTIQWQU-HTAPYJJXSA-N 435.406 6.689 30 10 IKEE COc1ccc(O)c(C=Nc2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)c1 1083956068 XRNAGYZUPDIDLF-UHFFFAOYSA-N 432.354 5.871 30 10 IKEE CCOc1cc(C=NNc2nc3ccccc3s2)ccc1OCc1ccc(Cl)cc1 1083958138 IUHIZDWNXGMFNF-UHFFFAOYSA-N 437.952 6.373 30 10 IKEE COc1ccc(C=Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)c2ccccc12 1084188281 SYEVULIKYRBUAD-UHFFFAOYSA-N 444.556 5.420 30 10 IKEE Fc1ccc(-c2nn(-c3ccc(F)cc3)cc2/C=N\NC(=S)Nc2ccccc2)cc1 1857808331 CBPFFEKJENGXSU-WGARJPEWSA-N 433.487 5.138 30 10 IKEE S=C(N/N=C\c1cn(-c2ccccc2)nc1-c1cccs1)Nc1cccc(Cl)c1 1857811470 RDJZBHSVGPRPHS-QRVIBDJDSA-N 437.981 5.575 30 10 IKEE N#Cc1ccc(NC(=O)c2cc(-c3cccc4ccccc34)n(Cc3ccc(F)cc3)n2)cc1 1859391553 ATXLICGUSCTJFS-UHFFFAOYSA-N 446.485 6.015 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@H]1c1ccccc1 1862390218 YFUWMUQGMXCHAT-RUZDIDTESA-N 449.591 5.814 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(C(F)(F)F)cc1 1862405382 CAGQTDXYDDHHKW-LJQANCHMSA-N 433.426 5.011 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@H]2c2cccc(O)c2)c1 1862490419 VKBDQKCOCIOXKR-QHCPKHFHSA-N 447.918 5.441 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc(F)cc2F)c1 1862491364 RBXXKUCCTOAMFS-FQQGMQMYSA-N 439.502 5.739 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2cccc(OC)c2)cc1 1862530097 NEQPMZBILBNUAX-RUZDIDTESA-N 441.527 5.079 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(OCCCC)c(OC)c1 1862542032 YYWDNDHWBNTJJY-DEOSSOPVSA-N 449.547 5.201 30 10 IKEE O=C(C1=C(O)C(=O)N(C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccccc1F)c1cccc(O)c1 1862590297 FXWUPTQLAQYWPL-TVQFERKRSA-N 447.506 5.078 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1ccc(Cl)cc1 1862639947 AZWKGTHHHHLPER-HXUWFJFHSA-N 431.891 5.256 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2cccc(F)c2)cc1 1862661275 CNTPQZRYJMJUJF-QHCPKHFHSA-N 430.479 5.123 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1c(F)cccc1Cl 1862666560 GTEYDXOYGVWIFA-JOCHJYFZSA-N 443.946 6.371 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 1862667949 NDEXVOWHMUNTEG-HXUWFJFHSA-N 430.331 5.881 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2C(C)C)cc1 1862709970 KIHXMOZIEZUTRC-HSZRJFAPSA-N 437.536 5.251 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CC)cc1 1862721798 SBDHPLNZSVIWMO-DEOSSOPVSA-N 428.532 5.284 30 10 IKEE Cc1cc(C2=C(Nc3ccccc3C#N)C(=O)N(c3cccc(C)c3C)C2=O)ccc1F 1863086326 LVDOUZMEVOOWDT-UHFFFAOYSA-N 425.463 5.019 30 10 IKEE N#Cc1cccc(NC2=C(c3cccs3)C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c1 1863102559 ZFTYWUVSLPWGRK-UHFFFAOYSA-N 439.418 5.035 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)CCCOc2c(C)cccc2C)c1 1865931318 USMZDOLPZWTVTM-UHFFFAOYSA-N 426.516 5.512 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N[C@H](CC(N)=O)C(=O)OCC 1866029960 RGTXFCOETPEIEC-OAQYLSRUSA-N 426.642 5.171 30 10 IKEE CC(C)c1nc(Nc2ccc(C#N)cc2)cc(N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)n1 1868242139 HVFMVUQDCKEGDS-XMMPIXPASA-N 439.607 6.854 30 10 IKEE CCCc1nc(Nc2cccc(C#N)c2)cc(N2CCO[C@H](c3ccc(CC)cc3)C2)n1 1868378769 SVTLGSPKUJZTFK-QHCPKHFHSA-N 427.552 5.185 30 10 IKEE N#Cc1nnn(Cc2cccc(Cl)c2)c1NC(=O)c1c(Cl)ccc(Cl)c1Cl 1870112204 SVWGNUNXKLPPDP-UHFFFAOYSA-N 441.105 5.064 30 10 IKEE CCCCCn1cc(OCCCC)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870182574 MMWKKROTRFEIDG-UHFFFAOYSA-N 427.614 5.702 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(Cl)cc2)c(CN2CCC[C@@H](C)C2)cc1=O 1870414165 HRHSBICREKBYRN-OAQYLSRUSA-N 445.047 6.131 30 10 IKEE CCCCCCCOc1cn(CC(C)C)c(CNc2cccc(NC(C)=O)c2)cc1=O 1870831544 DDUFVLACRYXEHJ-UHFFFAOYSA-N 427.589 5.424 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccco1)O3)CN([C@@H](C)C13CC4CC(CC(C4)C1)C3)CO2 1871350033 HTLKVSBSFSOTOI-QCSTYKCASA-N 445.559 5.961 30 10 IKEE CCc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3cc(C)ccc3C)C4)C2=O)cc1 1871355597 PANOEJJZBVAXLO-ZMFRSBBQSA-N 439.555 6.143 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)CCc4ccc(C)cc4)ccc3C2=O)c(OC)c1 1871367118 ZEAVAIBMJJZQQW-QFEZKATASA-N 444.483 5.167 30 10 IKEE COc1ccc(Br)cc1/C=C1\Oc2cc(OC(=O)CC(C)C)ccc2C1=O 1871386246 LIXQLWFLKVVLOL-GRSHGNNSSA-N 431.282 5.025 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(ccc(O)c3CN(C)C3CCCCC3)C2=O)cc1 1871393597 YCKDAGKLPZWSFH-UQQQWYQISA-N 434.580 5.619 30 10 IKEE C[C@H]1C[C@@H](C)CN(Cc2c(O)ccc3c2O/C(=C\c2c(Cl)cccc2Cl)C3=O)C1 1871396684 RALNECPFVYSYQR-YHRJSEKKSA-N 432.347 5.793 30 10 IKEE CCOc1ccccc1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(C)o1)C2=O 1871402875 OLOZJJGNXGDTOZ-ICODJCHTSA-N 447.487 5.317 30 10 IKEE Cc1c(O[C@H](C)C(=O)Nc2ccccc2Cl)ccc2c1O/C(=C\c1ccncc1)C2=O 1871405836 QNVRSUXLEYCCEV-PJMHOZITSA-N 434.879 5.066 30 10 IKEE CCCN(CCC)C(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccccc1OCC)C2=O 1871431050 SNTIUJMFHFLERP-HAHDFKILSA-N 437.536 5.037 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O)Nc1ccc(F)c(F)c1 1871441055 VQEVRIHMYDBFTF-NKVSQWTQSA-N 441.817 5.252 30 10 IKEE CCCCCCCCN=c1nc(N2C[C@H](C)C[C@@H](C)C2)[nH]c(=Nc2cccc(Cl)c2)[nH]1 1871648049 WMBQQFNBAPCTSH-RTBURBONSA-N 445.055 5.367 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 1872225613 PAIXCTQIBXYQOF-JOCHJYFZSA-N 449.016 5.269 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccccc1C)c1ccccc1)S(=O)(=O)c1ccc(C)c(C)c1 1872423227 VGZYENGJVPWXKK-VWLOTQADSA-N 448.588 5.169 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 1872513330 OAOOFNFEBRUHOV-DEOSSOPVSA-N 442.625 5.376 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-n4cccc4)cc3)n2)cc1 1872765576 RXHJSKSTSJRZRL-QHCPKHFHSA-N 425.557 6.433 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1 1872768299 OYPIXKHRTJXDFT-MRXNPFEDSA-N 427.869 5.260 30 10 IKEE Cc1ccccc1OCCCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872769495 SZKQTFIXKDTFHK-MRXNPFEDSA-N 445.371 6.461 30 10 IKEE C=CCOc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2cccc3ccccc23)cs1 1872775078 JSKVBUWZPAKVTB-OAQYLSRUSA-N 440.524 5.783 30 10 IKEE N#C[C@H](C(=O)C(c1ccccc1)c1ccccc1)c1nc(-c2ccc(F)c(F)c2)cs1 1872777250 JLLYWLLAEWCHGY-LJQANCHMSA-N 430.479 6.097 30 10 IKEE COc1cc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(F)cc3F)n2)c(OC)cc1Cl 1872780219 CNJLQPVFDOIQNU-AWEZNQCLSA-N 448.878 5.178 30 10 IKEE C=CCn1c(C(=O)Nc2ccccc2CC)cc2c(NCc3ccc(F)cc3)ncnc21 1873611796 SCGQBVLMNPDEBF-UHFFFAOYSA-N 429.499 5.183 30 10 IKEE CCCCCCCCNC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc(Cl)cc1)C2=O 1873886499 XXRUVVCEQSUKKQ-UHFFFAOYSA-N 426.944 5.227 30 10 IKEE CCSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1ccc(Cl)cc1 1874222850 FZNMIIVBVMBMEV-LFVJCYFKSA-N 428.989 5.500 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1cccc(Cl)c1 1874231140 UPRRWBJEAHARSW-FSJBWODESA-N 433.364 5.633 30 10 IKEE C=CCSc1nnc(CCc2ccccc2OC)n1/N=C/c1c(Cl)cccc1Cl 1874313567 AUSMOYXCXTXYCT-ZVHZXABRSA-N 447.391 5.539 30 10 IKEE CCc1ccc(/C=N/n2c(CCOc3ccccc3)nnc2SCc2ccccc2)cc1 1874346336 JUONPEPGYCOBHH-ZXVVBBHZSA-N 442.588 5.637 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccncc1 1874363422 DRPQKRSXYDVDLZ-JVWAILMASA-N 447.995 5.595 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(OCC)c(OC)c1 1874366916 BANAKVAUMVQKTK-ZMOGYAJESA-N 442.972 5.556 30 10 IKEE Cc1ccccc1/C=N/n1c(COc2ccccc2)nnc1SCc1ccc(F)cc1 1874382647 AMOVNHHLCJXMFR-CVKSISIWSA-N 432.524 5.479 30 10 IKEE COc1cccc(/C=N/n2c(Cc3ccc(C)cc3)nnc2SCc2ccc(C)cc2)c1 1874386554 VMMUYCWVIJZILZ-WPWMEQJKSA-N 442.588 5.669 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccc(O)cc2)cc1 1874387938 MBRIASPVSFYJEF-CVKSISIWSA-N 432.524 5.197 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2[C@H](C)c2ccccc2)cc1 1874393268 IHYMZVRAHGCEBQ-ADIMLFFHSA-N 426.589 6.221 30 10 IKEE CCc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCCc2ccccc2)cc1 1874403841 VWOSSTYSBZEEQZ-SGWCAAJKSA-N 440.616 5.843 30 10 IKEE Cc1cccc(CSc2nnc(CC(C)(C)C)n2/N=C/c2cc(Cl)ccc2O)c1 1874437664 MWYKQTWHSQSYIJ-ZMOGYAJESA-N 428.989 5.709 30 10 IKEE O=[N+]([O-])c1cccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C(F)(F)F)c1 1874462402 REEFZAWRLWBQEO-LSFURLLWSA-N 441.822 5.033 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(OC)cc1OC 1874479814 SPEQHGCRWJUHTG-ZVHZXABRSA-N 444.988 5.466 30 10 IKEE Cc1ccccc1CSc1nnc(C(C)(C)C)n1/N=C/c1ccc(C(F)(F)F)cc1 1874483462 XKOMHGSIRJDCNX-LGJNPRDNSA-N 432.515 6.077 30 10 IKEE COc1cc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C(C)(C)C)ccc1O 1874485690 ICMSWBYNZCTRFJ-FSJBWODESA-N 430.961 5.118 30 10 IKEE CC(C)c1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccc(F)cc1F 1874515462 YNPOOERIRIKSAD-PGGKNCGUSA-N 441.334 6.161 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(C)n2/N=C/c2ccc(C(C)(C)C)cc2)cc1 1874530710 WXTHNZCTYRFDTH-MFKUBSTISA-N 435.597 5.059 30 10 IKEE CCOc1cc(/C=N/n2c(S)nnc2C2CCC2)ccc1OCc1cccc(Cl)c1 1874559253 GQHVAEFMUJKEED-ZMOGYAJESA-N 442.972 5.348 30 10 IKEE C[C@H](c1ccccc1)c1nnc(S)n1/N=C/c1ccc(OCc2ccccc2F)cc1 1874561156 GIRCEIPEOVLJFI-CIRUFVMISA-N 432.524 5.319 30 10 IKEE Cc1ccc(CCc2nnc(S)n2/N=C/c2ccccc2OCc2ccccc2)cc1C 1874564842 VGVLQTJBSKAVKD-WPWMEQJKSA-N 442.588 5.430 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OCC(=O)NC1CCCCC1 1874595105 VAHZOAITUWDQBU-ACCUITESSA-N 427.928 5.072 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OCc1cccc(F)c1 1874603881 JOBCWYMGZJFCCV-JLHYYAGUSA-N 446.518 6.197 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 1874616390 XFJQCHLKLOWOJA-ONNFQVAWSA-N 431.746 7.430 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3c(F)cccc3Cl)c(Cl)c2)cc1F 1874621679 OEJWBIOTDHBDNQ-VMPITWQZSA-N 449.280 6.755 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3c(C)cc(C)cc3C)cc2)cc1 1874634386 ZJUHFWSOZPFFGZ-XNTDXEJSSA-N 427.544 6.088 30 10 IKEE CCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccc(C)c1 1874659132 UKDXNJRHAVFLPV-SANMLTNESA-N 447.623 5.571 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)c1)c1ccc(F)cc1F 1874699982 WADLHPYURPGDCY-FFLQPZBESA-N 438.857 6.223 30 10 IKEE CCOc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 1874706200 VLRUJSHIGPFODA-WOJGMQOQSA-N 442.555 6.427 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccccc3)c2)cc1C 1874717833 MEQDBXWOAGQTRW-ZRDIBKRKSA-N 430.500 5.365 30 10 IKEE C=CCN(CC=C)CCC(=O)c1cccc(OC(=O)Cc2cc(Cl)ccc2Cl)c1 1874730649 XUYKJOQURNPYRH-UHFFFAOYSA-N 432.347 5.388 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1 1875084942 HYNZECPGBAGUIQ-RIYZIHGNSA-N 435.863 5.683 30 10 IKEE C[C@H](C(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1)c1ccccc1 1875104810 PDAQSMPOPZPFGH-IDJPSDCMSA-N 425.311 6.599 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1)c1cccc(Br)c1 1875112110 XZHMAVVHMVHXNI-JLHYYAGUSA-N 441.708 6.218 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3Cl)cc2Cl)cc1 1875113796 YIWNROGAJIHYJD-WUXMJOGZSA-N 427.283 6.117 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)c1cccc(C)c1 1875123275 FTGSODVYHDBLSD-MDZDMXLPSA-N 441.310 6.426 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)[C@@H]2CCCO2)c(Cl)c1 1875180892 DRFJZCNRQKZQNK-CYXJOQHWSA-N 435.303 5.291 30 10 IKEE C=CCn1c(C(=O)N(CCCC)CCCC)cc2c(NCc3ccc(F)cc3)ncnc21 1875227661 ISLSBNDDAPCEFF-UHFFFAOYSA-N 437.563 5.411 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@H](CC(C)(C)C)NC(=O)OC(C)(C)C)NCCC 1922093999 HSOFFVXSKHSUFK-PKTZIBPZSA-N 432.649 5.847 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CC12CCC(C#N)(N(C(=O)OC(C)(C)C)C1CCCC1)CC2 1942922683 TVWQIHRIBVTASL-WZFBRQLOSA-N 433.593 5.286 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C1 1949185689 UTTQMKKJUANOGM-XMMPIXPASA-N 433.593 5.240 30 10 IKEE C#Cc1ccc([C@H](CCCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 1951580327 CNKRFKGKLZSIAI-SANMLTNESA-N 439.511 5.503 30 10 IKEE C#Cc1ccccc1[C@@H]1[C@H](C(=O)O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21 1952944450 UUIZYCKQCYZCNV-AOYPEHQESA-N 437.495 5.065 30 10 IKEE Cc1cc(Br)c([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)s1 2029269954 KZTRFRXPAVDFNW-HNNXBMFYSA-N 425.323 5.965 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@](C)(C#N)CCCN(C)C(=O)OC(C)(C)C 2049128776 ZIEOPHFOEYIZES-XMMPIXPASA-N 447.576 5.366 30 10 IKEE CC(C)c1ccc([C@H](C(C)C)n2nc(C3CC3)c(C#N)c2I)cc1 2079929606 XKMNOXLUEZCQID-IBGZPJMESA-N 433.337 5.606 30 10 IKEE CC(C)Oc1ccc([C@H](n2nc(C(F)(F)F)c(C#N)c2Br)C(C)(C)C)cc1 2080062012 RBZGOQLQRCIIGM-INIZCTEOSA-N 444.295 5.959 30 10 IKEE Cc1cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)sc1Br 2082340139 VNDFNOHNGRPAEN-AWEZNQCLSA-N 425.323 5.965 30 10 IKEE CCCCC#CC[C@@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2083449492 ZCAGNRPSFRQXIS-SHQCIBLASA-N 441.660 5.108 30 10 IKEE C=CCCCCCCCCC[C@H](N)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2086280566 IROUNJLCZNKOCX-ZKMPZPQNSA-N 446.676 6.509 30 10 IKEE CN(CCCOCc1ccccc1)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(F)(F)F 2116148506 QXNMHLXQXPTAHA-UHFFFAOYSA-N 449.322 5.048 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](Nc2ccc(C#N)c(Br)c2F)[C@@H]2CCCC[C@@H]21 2179389721 IHXFSAROVMUKKK-BPUTZDHNSA-N 438.341 5.050 30 10 IKEE CCc1ccc(Nc2cc(Br)cc(F)c2C#N)cc1I 2185170983 XTWURKHRYXQXJB-UHFFFAOYSA-N 445.073 5.370 30 10 IKEE C=CC[C@H](C)[C@@H](NCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229128332 QUEIUIDHECNXNR-ZYSHUDEJSA-N 425.411 5.075 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)CC 2235722765 KLTNOXCLMGRXRW-YVWKXTFCSA-N 437.422 5.108 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2ccc(C#N)cc2Br)C[C@@H]2CCCC[C@H]21 2240972008 JCOAXYAIIWYEEA-TXPKVOOTSA-N 434.378 5.301 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCC)c2sc(Br)c(C)c2C)C1 2254686546 VINKSQYQWKOMPV-OAHLLOKOSA-N 429.424 5.392 30 10 IKEE C=CCN(CC[C@H](NCCC)c1sc(Br)c(C)c1C)C(=O)OC(C)(C)C 2265887729 FJXGXXOJVQLJOZ-INIZCTEOSA-N 445.467 5.981 30 10 IKEE C=CCCC1([C@@H](N)c2cc(C)cc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2266306805 ATAVLTNBRIYWRY-KRWDZBQOSA-N 427.358 5.100 30 10 IKEE CC(C)(C)OC(=O)NCCC1(C(=O)C#Cc2cccc(Br)c2)CCCCC1 2296219959 TTYPGRYHTOIEOI-UHFFFAOYSA-N 434.374 5.235 30 10 IKEE CCCC[C@H](C[C@H](C#Cc1ccc(Br)cc1)NCC)NC(=O)OC(C)(C)C 2296299744 YUZTYJWXTQTFDW-VQTJNVASSA-N 437.422 5.252 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)CC[C@H](C)CCNC(=O)OC(C)(C)C 2296310842 OOUNCMJJBLXLMD-FXAWDEMLSA-N 437.422 5.110 30 10 IKEE CN1C(=C2SC(=Nc3ccccc3)N(c3ccccc3)C2=O)Sc2ccc(Cl)cc21 2296739248 LEGFWWCGZGFWME-UHFFFAOYSA-N 449.988 6.519 30 10 IKEE O=C(C=Cc1ccc(F)cc1)c1c(O)nc2ccc(Br)cc2c1-c1ccccc1 2297256359 PZJIBQIIMGYKNA-UHFFFAOYSA-N 448.291 6.405 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(N3C(=O)c4cccc5cccc(c45)C3=O)cc2)cc1 2297342294 RWUPILNHIMBLKK-UHFFFAOYSA-N 433.463 5.545 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(OCCCOc3ccc(C)c(C)c3)cc2)SC1=S 2297624844 VCYMBWNBCXOYFD-UHFFFAOYSA-N 439.602 5.539 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@H](C#N)[C@@]1(C)CCCCN1C(=O)OC(C)(C)C 2302518723 IWORSLFTNBGHQY-YADARESESA-N 435.609 5.628 30 10 IKEE CCCCOc1ccc(C=C2SC(=Nc3cccc(C)n3)N(CC)C2=O)cc1OC 2314540528 SCBPLWAYWKUAAQ-UHFFFAOYSA-N 425.554 5.201 30 10 IKEE O=C(O)c1cccc(N=C2SC(=Cc3ccccc3[N+](=O)[O-])C(=O)N2c2ccccc2)c1 2314547424 HPGMIWRRNLWFBC-UHFFFAOYSA-N 445.456 5.102 30 10 IKEE O=C(C=Cc1cccc(OCc2ccccc2)c1)C(=O)NC(c1ccccc1)c1ccccc1 2318788853 SXNKIYYPMTYUBW-UHFFFAOYSA-N 447.534 5.754 30 10 IKEE CCCCOc1ccc(C=NNc2oc([C@@H]3C[C@H]3c3ccccc3)nc2C#N)cc1OCC 2320837240 QUZSXLWIMDWMQF-LEWJYISDSA-N 444.535 5.841 30 10 IKEE C=CC[C@H]1COC[C@H]1NCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2321085113 OUPOOPSFWVQRCT-IZZNHLLZSA-N 429.560 5.525 30 10 IKEE Cc1cc(OCc2cccc(F)c2)cc2c1C(=O)C(=Cc1ccc(-c3ccccc3)cc1)O2 2321899003 SBKPKGLBFXTYBP-UHFFFAOYSA-N 436.482 6.996 30 10 IKEE COc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN([C@H]2CCCC[C@@H]2C)C4)c(OC)c1 2322146146 GXVCSHURXFCNNR-KKSFZXQISA-N 449.547 5.359 30 10 IKEE O=C(COc1ccccc1C=CC(=O)c1ccc(-c2ccccc2)cc1)NCc1ccccc1 2322286904 HCJAUMAABZOFJC-UHFFFAOYSA-N 447.534 5.945 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1OC 2322341298 YAOPVIFSWKNOFC-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE COC(=O)c1ccc(C=C2Oc3c(cc4c(c3C)OCN([C@H]3CCCC[C@H]3C)C4)C2=O)cc1 2322391851 WOXGDILIJKVGJU-ZHRRBRCNSA-N 447.531 5.128 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccccc2Cl)cc1 2322737742 DFIDJCCPJOXJFD-UHFFFAOYSA-N 425.355 7.592 30 10 IKEE CCCNC(=O)COc1ccc(Cl)cc1C=CC(=O)c1cc(Cl)ccc1Cl 2323003039 YKKJYCJQQDPGCO-UHFFFAOYSA-N 426.727 5.448 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OCc3nc(O)c4ccccc4n3)c2)cc1C 2323318138 ZOMMKOCJISZWKA-UHFFFAOYSA-N 440.499 5.436 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OCc1ccccc1Cl 2323412873 MDHYFIWJFCHBQU-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)c(OC)c2)cc1 2323485341 SRKVDROLWDJAOV-FQEVSTJZSA-N 443.543 5.410 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OCc3c(F)cccc3Cl)c([N+](=O)[O-])c2)c1 2323489860 XGMSNRJXXFZDBK-UHFFFAOYSA-N 441.842 5.871 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)CC1 2323651733 BCUOGPNQJCVBAG-UHFFFAOYSA-N 430.544 6.761 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c3C)C2=O)cc1 2323702045 BHRSYLNHZZTEDR-UHFFFAOYSA-N 449.846 5.700 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1OC 2323780622 JMKGJZWOEQYPQK-UHFFFAOYSA-N 449.934 5.825 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(OC)c1OCc1cc(C)ccc1C 2324082636 WSBZRLSBKCFBEI-UHFFFAOYSA-N 446.499 5.524 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3cccc(Cl)c3)c(OC)c2)cc1F 2324123919 HQSIDEUIEGXBGM-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1OCc1cccc(F)c1 2324193094 UGIPBNHRJIMVHO-UHFFFAOYSA-N 439.414 5.747 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OCc1c(Cl)cccc1Cl 2324197159 IZTNMWJFFKLUMN-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE Cc1cccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4cccc(Cl)c4C)ccc3C2=O)c1 2324430344 VUNXVURWQLMKMI-QGZVFWFLSA-N 447.918 5.979 30 10 IKEE Cc1c(OCc2ccc(C(=O)OC(C)C)cc2)ccc2c1OC(=Cc1ccccc1F)C2=O 2324606003 JESMIZHLULAHFQ-UHFFFAOYSA-N 446.474 5.895 30 10 IKEE C=C(C)COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1Br 2324658144 BYCOFZZTYSDFDV-UHFFFAOYSA-N 426.137 6.607 30 10 IKEE CC(=O)c1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2)C3=O)cc1 2325427663 HSNWLIMRSKUIHY-SFHVURJKSA-N 441.483 5.220 30 10 IKEE COc1cccc(C=Nn2c(Cc3ccccc3)nnc2SCc2cccc(Cl)c2)c1 2325494279 BRMKZUBKEURHFC-UHFFFAOYSA-N 448.979 5.705 30 10 IKEE COc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)c1cc(C)cc(C)c1 2325675214 TYYKMQVDKQHSAA-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE O=C(C=Cc1cccc(OC(=O)C23CC4CC(CC(C4)C2)C3)c1)c1ccc2ccccc2c1 2325700565 PTOBWDRWFXRDNU-UHFFFAOYSA-N 436.551 6.858 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OCC(=O)Nc3ccccc3Cl)cc(C)c2C1=O 2325718336 ARTDXCRTLZVBSO-UHFFFAOYSA-N 439.920 5.652 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OC(=O)COc1c(C)cccc1C 2325735733 XFQUSRQWXZEDAE-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OC(=O)C12CC3CC(CC(C3)C1)C2 2325737760 STMQPYYHKFFFRD-UHFFFAOYSA-N 430.544 6.022 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1OC(=O)Cc1cccs1 2325765046 WMXTVRCGKGFOMF-UHFFFAOYSA-N 448.584 6.407 30 10 IKEE CCOc1ccc(CCc2nnc(SC)n2N=Cc2cccc3ccccc23)cc1OC 2325885119 AGOSPJDNYQCBOJ-UHFFFAOYSA-N 446.576 5.228 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(OCC)c(OC)c2)n1N=Cc1ccccc1 2325890367 IQCZBJNZDPLRMI-UHFFFAOYSA-N 436.581 5.021 30 10 IKEE C=C(C)CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1cccc(O)c1 2326130566 LLZOPXVRFQRFMX-UHFFFAOYSA-N 442.972 5.383 30 10 IKEE C=CCN(Cc1ccccc1)[C@@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C12CCCCC2 2326264155 IIQNJPSJXIESCA-AREMUKBSSA-N 442.600 5.232 30 10 IKEE CCc1ccc(OCCCc2nnc(SC)n2N=Cc2c(Cl)cccc2Cl)cc1 2326295300 GJUVWLUAILEADZ-UHFFFAOYSA-N 449.407 5.763 30 10 IKEE CCc1nnc(SCc2ccc(C)cc2)n1N=Cc1cc(Cl)c(OC)c(Cl)c1 2326296224 AGPPNSAFPAUAGL-UHFFFAOYSA-N 435.380 5.639 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccc(O)c(Br)c1 2326305215 HHSZIHPBTGEIGE-UHFFFAOYSA-N 445.386 5.182 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1cccc(OCC)c1O 2326570235 QWIWWFOKOCWHTK-UHFFFAOYSA-N 448.951 5.302 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1ccc(Cl)cc1 2327208440 TVARMXXVZPXNAE-UHFFFAOYSA-N 426.973 5.412 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc(OC)cc1 2328056409 BNDFSKLGALGYRF-UHFFFAOYSA-N 426.973 5.276 30 10 IKEE COc1cccc(CCc2nnc(SCc3ccccc3)n2N=Cc2cccc(C)c2)c1 2328640531 HPZXPQQXNDQXCZ-UHFFFAOYSA-N 442.588 5.555 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3F)n2N=Cc2ccccc2)c(C)c1 2328898966 NRQAFGAPYVXEGI-UHFFFAOYSA-N 446.551 5.788 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3F)n2N=Cc2ccccc2)cc1C 2328946071 SNNHSPHYXJTXMR-UHFFFAOYSA-N 444.579 5.994 30 10 IKEE C=CCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc(Br)cc1 2329108474 RZJFVXWCKDPFLU-UHFFFAOYSA-N 447.789 5.445 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2N=Cc2sccc2C)c1 2329404069 CJGAYTRGEPKPAQ-UHFFFAOYSA-N 446.645 6.339 30 10 IKEE C=C(C)CSc1nnc(Cc2ccccc2F)n1N=Cc1ccc(Br)cc1 2329740529 COSLXBWFMWXEFM-UHFFFAOYSA-N 445.361 5.321 30 10 IKEE Cc1ccc(O)c(C=Nn2c(Cc3ccccc3F)nnc2SCCc2ccccc2)c1 2329750591 JHVTUZSWPPOUOU-UHFFFAOYSA-N 446.551 5.239 30 10 IKEE COc1cccc(C=Nn2c(COc3ccccc3)nnc2SCCc2ccccc2)c1 2329919296 KWEMDHKTZSUVES-UHFFFAOYSA-N 444.560 5.083 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(C)c3)n2N=Cc2cccc(O)c2)cc1 2329949849 WVSFDOGIFGWNLE-UHFFFAOYSA-N 428.561 5.366 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2ccc(C(C)C)cc2)cc1 2330625160 CGLYWMXKPPLSTO-UHFFFAOYSA-N 426.589 6.551 30 10 IKEE COc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccccc2F)cc1OC 2330846554 HCNYMYMHAKQRPA-UHFFFAOYSA-N 442.560 5.198 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccccc3Cl)cc2[N+](=O)[O-])cc1 2330932457 ZGCIVBJWCAFTQR-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE Fc1cccc(CSc2nnc(C3CCCC3)n2N=Cc2ccc(Cl)c(Cl)c2)c1 2331065867 NLTGNRUDMIALHE-UHFFFAOYSA-N 449.382 6.556 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1Cl)c1cccc([N+](=O)[O-])c1 2331090707 HGMGEEIUIGPHNW-UHFFFAOYSA-N 443.789 5.642 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)c1sccc1C 2331115787 FOFGLEISBATBJD-UHFFFAOYSA-N 447.339 6.487 30 10 IKEE COc1ccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2-c2ccco2)cc1OC 2331208182 PWPLWCQZYPOKNE-UHFFFAOYSA-N 448.548 5.347 30 10 IKEE Clc1ccc(C=Nn2c(SCCc3ccccc3)nnc2-c2ccco2)cc1Cl 2331211507 UEMDPXPEVBXFOV-UHFFFAOYSA-N 443.359 6.062 30 10 IKEE Fc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2-c2ccco2)c(F)c1 2331218719 ZEZYKGSBBNDPKP-UHFFFAOYSA-N 446.482 6.144 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)c(Cl)c2)c(C)c1 2331224276 DAQHJVCAGYXJHJ-UHFFFAOYSA-N 449.890 6.289 30 10 IKEE COCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccccc1OC(C)C 2331303972 AUGFKLYKZSPRCH-UHFFFAOYSA-N 444.988 5.082 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1N=Cc1ccc(CC)cc1 2331324461 DPZBXOCEGNEQGO-UHFFFAOYSA-N 435.597 5.105 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(C)c3)cc2OC)cc1 2331349194 ZEVJPIZTLHBRTM-UHFFFAOYSA-N 434.463 5.657 30 10 IKEE CCOc1cc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C(C)(C)C)ccc1O 2331404477 KNZJCSWCRPITLX-UHFFFAOYSA-N 444.988 5.508 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1Cl 2331473338 YVQXQRZTARKNEV-UHFFFAOYSA-N 440.926 6.928 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)Cc2ccc(C)cc2)cc1 2331545970 JWNQCPYRQGYQQM-UHFFFAOYSA-N 442.555 6.345 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(C(C)C)n2N=Cc2c[nH]c3ccccc23)c1 2331670061 NFASJXJURYLELS-UHFFFAOYSA-N 446.580 5.113 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)cc3)c(Cl)c2)cc1C 2331840962 IDUUECMEGNZHEK-UHFFFAOYSA-N 448.946 6.318 30 10 IKEE CC(C)[C@@H](CN(C)Cc1ccccc1)Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339581391 KGLDITZUJRLVSN-POICXBNUSA-N 435.421 5.295 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)cc(COC)c1 2362290642 LFUYRTOEOBOQAH-OALUTQOASA-N 441.410 5.106 30 10 IKEE Cc1cc(Br)c(Oc2nnc(C)c(C)c2C#N)cc1NC(=O)OC(C)(C)C 2370352043 XDYXAFDTFWOHOH-UHFFFAOYSA-N 433.306 5.175 30 10 IKEE C=CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCc2ccccc2)cc1 2238793 XGPIGECSTYTVKQ-RUZDIDTESA-N 437.495 5.146 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 5926920 HJDPGQNIXYSTOK-HSZRJFAPSA-N 447.918 5.830 30 10 IKEE CCOc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(Cl)c(Cl)c1)C2 20885433 UPDCCTKTVVOTGL-HOCLYGCPSA-N 430.331 5.396 30 10 IKEE CCOc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(CC)cc2)C3)c1 21253335 AQDZSYXNTYIEKJ-KPURRNSFSA-N 438.571 6.627 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Nc1ccc(F)cc1)[C@H]2c1ccco1 21722208 AUEIMCPMWHAKJR-DEOSSOPVSA-N 445.494 6.267 30 10 IKEE C/C(=N/n1c(-c2ccccc2F)cs/c1=N\CCc1ccccc1)c1ccc(Cl)cc1 33364531 FVNKLSKJKNSSCW-YMGPLGDUSA-N 449.982 6.425 30 10 IKEE C=CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc(F)cc2)cc1 39824379 UNQGEEYHJUXICR-XMMPIXPASA-N 441.458 5.242 30 10 IKEE C=C(C)C(=O)NCCCCCc1nc2ccccc2n1CCCCOc1ccccc1OC 40219835 UTDMGHWTJWXSNN-UHFFFAOYSA-N 449.595 5.309 30 10 IKEE CCc1ccc(OC(=O)c2oc3c(c2C)/C(=N/Nc2ccc([N+](=O)[O-])cc2)CCC3)cc1 40814815 GOABFCUMZILLPJ-LHLOQNFPSA-N 433.464 5.430 30 10 IKEE Cc1cc(O)c(CN(C)Cc2ccccc2)c2c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O2 41514594 BXIFZXGHRLTITK-XYGWBWBKSA-N 441.571 6.246 30 10 IKEE Cc1ccccc1NC(=O)c1cnn2c1NC1=C(C(=O)CCC1)[C@H]2c1ccc(Cl)cc1 64775596 OZJPBDOYMACUAG-JOCHJYFZSA-N 432.911 5.119 30 10 IKEE COc1cccc(C(=O)/N=C(/NCCc2c[nH]c3ccccc23)Nc2cc(C)ccc2C)c1 85581331 XRWBHXFDZHYJLF-UHFFFAOYSA-N 440.547 5.234 30 10 IKEE biogenic CCCCCCCCCCCCCCCCNC(=S)NC(=O)c1cccc(Cl)c1 100118282 SSROWZSMNFCWMH-UHFFFAOYSA-N 439.109 7.426 30 10 IKEE CCCCCCCOc1ccc(NC(=O)COc2c(C)cc(Br)cc2C)cc1 100155372 RGLKAQIOCAROHQ-UHFFFAOYSA-N 448.401 6.433 30 10 IKEE CCCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)O)cc2)cc1Br 101005917 PVIBFCJSRGVVBC-UHFFFAOYSA-N 449.341 6.106 30 10 IKEE CCCCCCCCCn1c([C@@H](C)NC(=O)c2ccccc2Cl)nc2ccccc21 102114789 NDNQCYYPTSONCP-LJQANCHMSA-N 426.004 6.931 30 10 IKEE Cc1ccc(C)c(/C(O)=C2\C(=O)C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(C(C)C)cc2)c1 135625159 YDIACPQGRBINDQ-MRJHHRETSA-N 447.560 5.213 30 10 IKEE CCc1ccc(-c2nc3cc(N/C=C4/C(=O)C=Cc5cc([N+](=O)[O-])ccc54)ccc3o2)cc1 136544001 WTYGTHRROIFJKI-PXLXIMEGSA-N 437.455 6.014 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\n2c(SC)nnc2C(C)C)c(Cl)c1 169915683 KAZIOBPCVHOZAU-JLPGSUDCSA-N 437.053 6.788 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2cccc(OC)c2)cc1 169928844 FLQXYSDLURNGNE-HSZRJFAPSA-N 431.463 5.180 30 10 IKEE COc1cccc(-c2csc(N/N=C\c3ccc(OCc4ccccc4)c(OC)c3)n2)c1 169940529 SOBOBUJXBMTWQF-YSMPRRRNSA-N 445.544 5.852 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2cccs2)cc1C 169983116 SGHAJCMSGLKPKL-HSZRJFAPSA-N 447.556 5.971 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1cccc(O)c1 170081239 QHVCPCAQMDPEPR-HSZRJFAPSA-N 433.891 5.148 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccc(C)c2)c1 170142722 HKWVBLHCUUROIP-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@@H]2c2cccs2)cc1 170156992 AGSLNRJUDDWYKB-HSZRJFAPSA-N 447.556 5.882 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccs2)c1 170159081 HNIOQHKVPCSYKQ-HXUWFJFHSA-N 439.920 5.583 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2cccs2)cc1C 170160857 CTFKPTUAGRPTKF-QHCPKHFHSA-N 447.556 5.855 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccccn2)cc1 170170961 YGVQSURPEOGINU-DEOSSOPVSA-N 442.515 5.214 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2cccnc2)cc1C 170187591 QTPUAYBOLRMARB-XMMPIXPASA-N 442.515 5.107 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@H]2c2ccncc2)cc1C 170201293 NZEBUTSPIKHBLU-DEOSSOPVSA-N 442.515 5.134 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccccc2)cc1 170227272 DLNFGMHZRMKFRN-MZNJEOGPSA-N 425.484 5.101 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@H]1c1ccc(CC)cc1 170268207 RYNIXRLLZMOFRX-HSZRJFAPSA-N 435.564 5.643 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccco2)cc1C(C)C 170282854 GKIYZVUTZAUJLS-DEOSSOPVSA-N 445.515 5.893 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccco2)cc1 170286980 FUESISQJQJZNQK-NRFANRHFSA-N 437.879 5.505 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4C)[C@H]3c3ccco3)oc12 170290262 AYEYPBRAJHPMAC-NRFANRHFSA-N 429.428 5.126 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(C)o2)cc1 170300595 ZUOVMHRFTOLRKA-HSZRJFAPSA-N 431.488 5.250 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2c2ccc(C)c(C)c2)o1 170301692 IEOVPUNEWDJYMA-RUZDIDTESA-N 441.527 5.867 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2cccc(C)c2C)o1 170302417 QACPOEJRMGFAJC-QHCPKHFHSA-N 427.456 5.734 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(Cl)cc(Cl)c2)[C@@H]1c1ccc(F)cc1)c1cccs1 170376982 NFXHWKRUBYWEMG-GOSISDBHSA-N 448.302 5.977 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(Cl)cc(Cl)c2)[C@H]1c1ccc(F)cc1)c1ccccc1 170377013 LVQFKKIKUJQIKB-FQEVSTJZSA-N 442.273 5.915 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(C(C)C)cc1 170422117 UOXQKXGADXQNLX-HSZRJFAPSA-N 447.556 5.659 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2nc3c(F)cc(F)cc3s2)c1 170461762 MJEAIWXWISKHSN-HXUWFJFHSA-N 442.487 5.398 30 10 IKEE CCCCCCCCC1(S(=O)(=O)c2ccccc2)CC(O)(CCc2ccccc2)C1 207165667 DLAJWCVLNIZZSC-UHFFFAOYSA-N 428.638 6.107 30 10 IKEE COc1ccc(N=C2S/C(=C/c3ccc4c(c3)OCO4)C(=O)N2C2CCCCC2)cc1 252640074 YQOVKDKXADMPFV-APPGCKKWSA-N 436.533 5.361 30 10 IKEE COc1ccc([N+](=O)[O-])cc1N=Cc1ccc(C=Nc2cc([N+](=O)[O-])ccc2OC)cc1 254398564 KYTLMSUVQQERIA-UHFFFAOYSA-N 434.408 5.021 30 10 IKEE CCCCCOc1ccc(C(Cc2ccccc2)=NOC(=O)Nc2ccccc2)c(O)c1 254554804 DAJJHIFEAMYVOE-UHFFFAOYSA-N 432.520 6.157 30 10 IKEE C=CCN1C(=O)/C(=C2/Sc3ccccc3N2C)SC1=Nc1cc(C#N)ccc1NCC 254616894 XBJPMINCFMFMCY-LEXHRDEDSA-N 447.589 5.150 30 10 IKEE CCCCN1C(=O)/C(=C2\Sc3ccccc3N2C)SC1=Nc1ccc(C(C)=O)cc1 254740045 LLRYHZAZHYKABI-QLMUGPIMSA-N 437.590 5.663 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccc(O)c2)cc1 526487452 YMSWJTRPFPRHHC-DEOSSOPVSA-N 426.472 5.110 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(C(C)(C)C)cc2)c1 526517769 VRXLXNVERJDYQQ-VWLOTQADSA-N 438.527 5.922 30 10 IKEE CCOc1ccc([C@@H]2C(c3cccc4ccccc34)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526520917 IKZLIPDWGVLRNB-HHHXNRCGSA-N 446.506 6.167 30 10 IKEE CCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1ccccc1C(=O)O 526805941 NPVFRIUBFFICPB-MYYYXRDXSA-N 436.581 5.401 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccccc2C(=O)O)c1 526808173 CLEHYCGTHVADRC-QQXSKIMKSA-N 442.544 5.050 30 10 IKEE CCCOc1ccc(/C=N\n2c(CC)nnc2SCc2cccc(C)c2)cc1[N+](=O)[O-] 526808555 VKUHUELOPTVKMZ-UCQKPKSFSA-N 439.541 5.020 30 10 IKEE Cc1ccsc1/C=N\n1c(Cc2ccccc2)nnc1SCc1ccc(C#N)cc1 526823767 RUJFBHULGGKNRE-MYYYXRDXSA-N 429.574 5.285 30 10 IKEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2ccc(C)c(Br)c2)cc1 586711695 AKPIFKZKECJPRP-UHFFFAOYSA-N 428.330 5.216 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2cc(Cl)ccc2Br)c1 698420004 RZHZMQTYOOBSRS-GOSISDBHSA-N 435.749 6.417 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@](C#N)(N(C(=O)OC(C)(C)C)c3ccccc3)C[C@H]2C1 698441558 BCTCOYQKUBZBGF-MHPIHPPYSA-N 441.572 5.357 30 10 IKEE O=[N+]([O-])c1cc(Br)cc(C=Nc2ccccc2OC(F)(F)C(F)F)c1O 1083983388 FCZFTLIBJNSFHP-UHFFFAOYSA-N 437.143 5.050 30 10 IKEE CCN1C(=O)C[C@H](C(=O)Nc2ccc(C)cc2C)SC1=Nc1cccc(C(F)(F)F)c1 1084120605 MNFKKEKEUVRFTC-GOSISDBHSA-N 449.498 5.302 30 10 IKEE C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)(C)O)C[C@@H](O)C[C@H]1O 1307267282 ZGLHBRQAEXKACO-PNYJAMQUSA-N 428.657 5.727 30 10 IKEE C/C(=C1\SC(=Nc2cccc(C(=O)O)c2)N(c2ccccc2)C1=O)c1ccc(O)cc1 1772736589 NBBJIAXGZLQJGT-QGJBXVFPSA-N 430.485 5.289 30 10 IKEE COc1ccc(/C=C2\SC(=Nc3cccc(C)n3)N(C3CCCCC3)C2=O)c(OC)c1 1772738505 SGYGMZCFXCJGHZ-UDYULTBOSA-N 437.565 5.344 30 10 IKEE O=C1/C(=C\c2ccc(O)cc2)SC(=NN=Cc2ccc(Cl)cc2)N1Cc1ccco1 1772757926 MQYMPGSWNVOAJK-JQTCHMLUSA-N 437.908 5.145 30 10 IKEE COc1ccc(/C=C2/SC(=NN=C/C=C\c3ccccc3)N(Cc3ccco3)C2=O)cc1 1772759682 WIDWOBGEDGILQO-ZCPUSUIUSA-N 443.528 5.460 30 10 IKEE C=CCN(CC=C)c1cc(-c2cc3cnccc3c(N3CCc4ccccc4C3)n2)ccn1 1857840532 LXONLQUGUWXXCE-UHFFFAOYSA-N 433.559 5.433 30 10 IKEE CCCCCCCCCNC(=O)c1nc(-n2cccc2)sc1-c1ccc(Cl)cc1 1860377887 OROVKJMSBBYOIV-UHFFFAOYSA-N 430.017 6.735 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(Cl)cc2Cl)n(-c2ccc(C)cc2)n1 1862331740 KIYHIUXPWIVOTP-UHFFFAOYSA-N 426.347 5.969 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(Cl)cc2Cl)n(-c2ccc(OC)cc2)n1 1862331903 RYBGWPRMPTYQFD-UHFFFAOYSA-N 442.346 5.669 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1ccc2cc[nH]c2c1)c1ccc(Cl)cc1Cl 1862380380 BCZSICKNEFKTKV-IBGZPJMESA-N 427.287 5.215 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2cccc3ccccc23)cc1 1862396130 DVRQYDLTJSRFGG-VWLOTQADSA-N 427.544 6.171 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(F)cc2F)=C(O)C(=O)N1Cc1cccs1 1862411671 MVJUFTIIPANXMU-HXUWFJFHSA-N 425.456 5.113 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(F)cc1F 1862432712 LGCWFCFDBXPQNS-DYHNYNMBSA-N 445.893 5.775 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2cc(C)ccc2C)c1 1862442229 HQAXSCNGMOGUNV-XMMPIXPASA-N 445.946 6.044 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2c(F)cc(F)cc2F)=C(O)C(=O)N1Cc1cccs1 1862456349 PRWCRNQYYDDTJL-HXUWFJFHSA-N 443.446 5.252 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 1862481329 CIYFCYNGLNWDLH-HXUWFJFHSA-N 431.454 5.782 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc(Br)c1 1862488146 RQUKGVRYQQATIL-KUHUBIRLSA-N 428.326 5.134 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2ccc(F)cc2)cc1 1862530781 XXIJLLCHCBNUJH-QFIPXVFZSA-N 435.520 5.271 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1cccc(C)c1 1862531878 DMOWEPOABQVMLQ-ZCYQVOJMSA-N 433.592 6.495 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 1862533110 IRFNAVHSWRMRBA-QHCPKHFHSA-N 448.519 5.458 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 1862669155 PIAIHTVWAUKLGR-HXUWFJFHSA-N 431.454 5.816 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)c1 1862675041 AKILNPLFXZINLI-QHCPKHFHSA-N 449.909 5.874 30 10 IKEE CN1CCCc2cc([C@H]3C(C(=O)c4ccc(F)cc4)=C(O)C(=O)N3C3CCCCC3)ccc21 1862679426 CTTLPSVVPDZURK-DEOSSOPVSA-N 448.538 5.119 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(Cl)cc1Cl 1862706249 RJAXRDCFAMSJMR-HXPMCKFVSA-N 434.319 5.379 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 1862736420 JRMKFVNFIZEKJF-DENIHFKCSA-N 436.508 5.532 30 10 IKEE CCOc1ccc(C2=C(Nc3ccc(Cl)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862835800 WAIOKVZHCRXEJQ-UHFFFAOYSA-N 443.890 5.007 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccccc3OC(C)C)C2=O)cc1 1862892202 BDKONBQVGAWDBI-UHFFFAOYSA-N 437.499 5.051 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cccc4c(O)cccc34)C2=O)cc1 1862895922 MPHZHMJOPVBQRI-UHFFFAOYSA-N 445.478 5.122 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C)c2)=C(c2ccc(OCCC)cc2)C1=O 1863341179 RUFBZKISXPUDTA-UHFFFAOYSA-N 448.607 6.336 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2Cl)=C(c2ccccc2OC)C1=O 1863432469 JNHMCHHDJGSNSV-UHFFFAOYSA-N 440.971 5.901 30 10 IKEE CCCCCCCCN1C(=O)C(NCCc2c[nH]c3ccccc23)=C(c2cccs2)C1=O 1863804764 GUPHDQYLYRGBMX-UHFFFAOYSA-N 449.620 5.502 30 10 IKEE Cc1ccc(-c2nc(Nc3cccc(C#N)c3)cc(N3CCO[C@@H](c4ccncc4)C3)n2)cc1 1868313066 VMCXXIBAGURSQB-XMMPIXPASA-N 448.530 5.040 30 10 IKEE CCOc1cn(CCC2=CCCCC2)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870238652 JXBBXNHQDZATIT-UHFFFAOYSA-N 437.609 5.622 30 10 IKEE CCCCCCCOc1cn(CCc2ccc(F)cc2)c(CN2CCC[C@@H](C)C2)cc1=O 1870412870 LQKAKIBIKYNOSB-JOCHJYFZSA-N 442.619 5.811 30 10 IKEE CCCCCCCCn1cc(OCc2cccc(C)c2)c(=O)cc1CN1CCC[C@@H](C)C1 1870621336 WVQFLIHAZBEOJP-XMMPIXPASA-N 438.656 6.328 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2c(F)cccc2Cl)cn1CCCCC 1870637537 PSYFKZJNZQAVOT-UHFFFAOYSA-N 432.967 5.584 30 10 IKEE C=CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1cccc(C(F)(F)F)c1 1871252228 PSBWNYCLEJSXJW-UHFFFAOYSA-N 439.437 5.116 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3cccc(C)c3)CO4)C2=O)cc1 1871348194 XBMWBOKWVGNPPH-QFEZKATASA-N 427.500 5.362 30 10 IKEE CCCCOCCCN1COc2ccc3c(c2C1)O/C(=C\c1cccc(Cl)c1)C3=O 1871350668 OWUXUGBJECVGJP-HMAPJEAMSA-N 427.928 5.315 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OC(=O)c3cccc(OCC(C)C)c3)ccc2C1=O 1871378807 AOCGPJGNTYHCHM-QFEZKATASA-N 428.484 5.865 30 10 IKEE CCCCC1CCC(C(=O)Oc2cc(C)c3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)CC1 1871383899 XPMICCLXWIDDLX-HPMQKMTPSA-N 444.571 7.069 30 10 IKEE Cc1cc(OC(=O)c2ccc(OC(C)C)cc2)cc2c1C(=O)/C(=C/c1ccccc1F)O2 1871388096 HZNQFDGOHBTEDV-QRVIBDJDSA-N 432.447 5.757 30 10 IKEE CCc1ccc(/C=C2\Oc3c(CN(Cc4ccccc4)C(C)C)c(O)cc(C)c3C2=O)cc1 1871395072 FBMSFNILSGLBTF-QQXSKIMKSA-N 441.571 6.290 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccncc1)C2=O 1871401557 GYMBKFMTDNPXKK-JYBCESJWSA-N 442.515 5.283 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc(OCCCCOc4ccccc4)c3C)C2=O)cc1 1871403661 SSUHVVAZRUSAKB-XHPQRKPJSA-N 444.527 6.248 30 10 IKEE CCOc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2cccs2)C3=O)cc1 1871408780 ZXDVEXIJHDACMC-HSMAQGNYSA-N 435.501 5.169 30 10 IKEE Cc1cccc(C(C)C)c1NC(=O)COc1ccc2c(c1C)O/C(=C\c1cccs1)C2=O 1871422531 POLCBUZDJQGBNP-XKZIYDEJSA-N 447.556 6.122 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O 1871440465 QJHRLSWZPUAQIP-UUYOSTAYSA-N 433.891 5.591 30 10 IKEE C=CCN(CC=C)c1nc(=NCc2cccc(C)c2)nc(Nc2ccc(C(C)(C)C)cc2)[nH]1 1871553389 KNSOUVMHDXZEOY-UHFFFAOYSA-N 442.611 5.434 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 1871993312 XCBMLKKFOMWVIV-HSZRJFAPSA-N 428.598 5.068 30 10 IKEE COc1ccccc1C(=O)[C@H](C#N)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872779007 ZIDSGYAOBLHUSE-NRFANRHFSA-N 426.497 6.101 30 10 IKEE COc1cc(-c2csc([C@@H](C#N)C(=O)c3cccc4ccccc34)n2)c(OC)cc1Cl 1872782111 DTYUMITXVMKIQH-SFHVURJKSA-N 448.931 6.124 30 10 IKEE N#C[C@H](C(=O)/C=C/c1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(Cl)s2)cs1 1872789695 RAJDSHNBGBQIGS-JRBALWBOSA-N 439.776 6.721 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc(COc2ccc(C(C)(C)CC)cc2)cc1 1872852962 DRAMUTAVYUWUKQ-UHFFFAOYSA-N 437.668 7.824 30 10 IKEE CCCCCCCCN1C[C@@H](C(=O)N2CCC(c3nc4ccccc4s3)CC2)CC1=O 1873017463 SEFWTKWOOMBAGX-FQEVSTJZSA-N 441.641 5.211 30 10 IKEE CCCCCCCCCCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C(C)C)cc2)C1=O 1873936772 QNLRKDRHKHTSAM-QFIPXVFZSA-N 429.605 5.272 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OC)c(OC)c2)n1/N=C/c1ccccc1Cl 1874237384 GICSPEBJBFHNJK-ZMOGYAJESA-N 442.972 5.090 30 10 IKEE CCCSc1nnc(COc2ccccc2OCC)n1/N=C/c1ccc(OCC)cc1 1874243029 KQMWUKXPCXAYKY-LFVJCYFKSA-N 440.569 5.039 30 10 IKEE C=CCSc1nnc(COc2ccccc2Cl)n1/N=C/c1cccc(OCCC)c1 1874267575 DWBLISSONWCAJB-BUVRLJJBSA-N 442.972 5.460 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874282933 HHDKHNZPXWTQND-YDZHTSKRSA-N 441.944 5.175 30 10 IKEE Fc1ccccc1CSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc[nH]1 1874283462 IZEYUYDPDOERDW-VULFUBBASA-N 439.947 5.358 30 10 IKEE Clc1ccc(CCc2nnc(SCCc3ccccc3)n2/N=C/c2ccccn2)cc1 1874283544 MYFYQQOGQWZFIF-OVVQPSECSA-N 447.995 5.329 30 10 IKEE Cc1ccc(OCc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccncc2)c(C)c1 1874327247 DRXLEGOBOSUZRM-MZJWZYIUSA-N 447.539 5.183 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccc(C)cc3)n2/N=C/c2cccc(F)c2)cc1 1874347888 KKQNKZGQQIBKEP-JVWAILMASA-N 446.551 5.500 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccccc3Cl)n2/N=C/c2ccccc2F)cc1 1874365061 JIXUFWQGYSUAIV-VULFUBBASA-N 436.943 6.221 30 10 IKEE Cn1cccc1/C=N/n1c(SCc2cccc(F)c2)nnc1-c1ccccc1Cl 1874366198 ACDCBVFCQPUQNY-ZMOGYAJESA-N 425.920 5.251 30 10 IKEE Fc1cccc(/C=N/n2c(COc3ccccc3)nnc2SCc2cccc(F)c2)c1 1874383433 PZXRFDVHXXPMCI-VULFUBBASA-N 436.487 5.310 30 10 IKEE Cc1ccccc1CSc1nnc(CC2CCCCC2)n1/N=C/c1ccc(O)c(O)c1 1874406873 ZDIJKNXWXJHMCQ-MFKUBSTISA-N 436.581 5.295 30 10 IKEE Brc1ccc(/C=N/n2c(SCc3ccccc3)nnc2[C@H]2CCCO2)cc1 1874447199 VSTFTTFAIGLUBQ-MNOULKQQSA-N 443.370 5.067 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2-c2ccco2)c(F)c1 1874467743 ZEZYKGSBBNDPKP-MZJWZYIUSA-N 446.482 6.144 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccccc1OCCC 1874479517 DNOMSWFHUNRFQG-PCLIKHOPSA-N 443.016 6.237 30 10 IKEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3C)nnc2C(C)(C)C)cc1 1874482771 MPUVQJKNLGZHSU-MFKUBSTISA-N 435.597 5.059 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(SCc2cccc3ccccc23)nnc1C1CC1 1874520296 AVDKPPNCTGTTBC-JVWAILMASA-N 442.588 6.270 30 10 IKEE COc1cc(/C=N/n2cnnc2SCc2c(F)cccc2Cl)ccc1OC(C)C 1874540550 QOZAQEMLFJYPQK-YSURURNPSA-N 434.924 5.041 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)N[C@@H](C)c2ccccc2)cc1 1874572823 HUNIDQRZXLWSIZ-LLLGYDHXSA-N 447.962 6.055 30 10 IKEE COc1cccc(/C=C/C(=O)c2cccc(Cl)c2)c1OCC(=O)Nc1ccc(F)cc1 1874577550 UFUMPVSWVZPOJR-MDWZMJQESA-N 439.870 5.401 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2c(OCc3ccccc3F)ccc3ccccc23)cc1 1874580037 VGJZCOXDNFYTFC-WUKNDPDISA-N 440.514 7.243 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(F)c(F)c2)cc1 1874584727 CNCHXQBFQJQMFL-BJMVGYQFSA-N 441.861 5.840 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1OCCc1ccccc1 1874593566 QDORYBRRAYZEPU-NTUHNPAUSA-N 437.333 5.975 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(C)cc1 1874602068 SGWUUCNMQSJAKC-ZHACJKMWSA-N 437.879 6.040 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OCc1ccc(C)cc1 1874603690 AAQCNWDQXZFDHG-NTCAYCPXSA-N 442.555 6.366 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Cl)c1OCCc1ccccc1 1874608685 BGGMQGOQEGYDFG-OUKQBFOZSA-N 441.354 6.910 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3C)c(Cl)c2)ccc1F 1874618726 PWXWAJKLJOQVPB-YRNVUSSQSA-N 437.898 6.010 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Br)c(OC)c(Br)c2)cc1F 1874621287 CRMLOKRCONZJRT-HWKANZROSA-N 444.094 5.264 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc(Cl)c2)c(Cl)c1)c1ccc2c(c1)OCO2 1874621528 YZQHVKPOOFTNNU-QPJJXVBHSA-N 427.283 6.197 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc([N+](=O)[O-])c1OCc1ccccc1F 1874633340 XMYXLHYWTCTYLA-ZRDIBKRKSA-N 449.478 6.225 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(OC)c(OC)c3)c2)cc1 1874694562 JKMLMNJJFCUDNR-GXDHUFHOSA-N 430.500 5.310 30 10 IKEE CCCc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3cccc(Cl)c3)c2)cc1 1874699524 ZGDHCBLELNAYCN-NTCAYCPXSA-N 434.919 6.173 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2cc(/C=C/C(=O)c3ccc(C)cc3C)ccc2OC)c1 1874701089 AUOBXHYJHBFUFT-JXMROGBWSA-N 446.499 5.445 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OC(=O)CCc1ccccc1C 1874701139 DIRCXCOXUASGSY-GXDHUFHOSA-N 428.528 6.055 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccccc3Cl)c2)cc1F 1874707443 FYJGWIZDFQMGDO-JXMROGBWSA-N 440.854 5.612 30 10 IKEE CCOc1ccc(CC(=O)Oc2cc(/C=C/C(=O)c3ccc(F)cc3)ccc2OC)cc1 1874710093 SOTYABUVPLVFBY-MKMNVTDBSA-N 434.463 5.277 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@@H](C)c3ccccc3)c2)c(OCC)c1 1874714857 RDJZPDPXOUIALN-QMEWPPBRSA-N 444.527 6.089 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1OC(=O)c1ccccc1C 1874718390 WTQLOBZGXWGMRT-YRNVUSSQSA-N 441.310 6.426 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(Cl)c1OC(=O)c1ccco1 1875095581 WYMAUAAUXUFLEV-FMIVXFBMSA-N 446.886 6.600 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3ccccc3OC)c(OC)c2)cc1 1875100354 ZMYSEEMFISQJDC-NTCAYCPXSA-N 446.499 5.390 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)COc1cc(F)ccc1F 1875128886 ZQZKIGRMRBIETA-XYOKQWHBSA-N 438.426 5.244 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1Cl 1875139332 CWXAYFSMRQCOEX-ACCUITESSA-N 448.946 6.400 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 1875140196 UZWRFEQSQAFXSQ-WUXMJOGZSA-N 431.444 5.336 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)Cc1ccccc1 1875150669 YWNMFGOTEZZFDD-MHWRWJLKSA-N 428.528 6.037 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)ccc1OC(=O)CCOC 1875164317 CXONIQLTFCKMLT-OQLLNIDSSA-N 446.499 5.716 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)ccc1OC(=O)[C@H]1CCCO1 1875181628 PCBGQNVBULGTNT-WFNSPDMASA-N 444.911 5.036 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(Cl)c3)cc2)c1 1875187469 SPDUSQGXCIHSGZ-UKTHLTGXSA-N 436.891 5.863 30 10 IKEE N#C[C@@]1([C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCC(F)(F)C1 1875631642 ABSZRLQBTPKUDL-IZZNHLLZSA-N 449.497 6.207 30 10 IKEE C=CCN(CC[C@@H](NCCC)c1ccc(F)cc1Br)C(=O)OC(C)(C)C 1898131242 GSNOCWZRFIQHJU-GOSISDBHSA-N 429.374 5.442 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CCN(C(=O)OC(C)(C)C)CC1(F)F 1922097440 ASPYENFOJDOHCM-RTWAWAEBSA-N 438.559 5.020 30 10 IKEE CC(C)(C)OC(=O)NC1CCC([C@@](C)(C#N)N(C(=O)OC(C)(C)C)C2CCCC2)CC1 1940970775 LWIKRHJQSRJPBP-YOHDVBOVSA-N 435.609 5.532 30 10 IKEE C[C@H]1CN(Cc2ccccc2)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 1949313806 MXZVXPJPHRGGNR-LVXARBLLSA-N 425.617 5.751 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(C(=O)OC(C)(C)C)CC[C@@H]2C)cc1 1999945902 UCCUXWDJVBOFJO-MHECFPHRSA-N 429.561 5.276 30 10 IKEE CC(C)(C)OC(=O)NCCC1CC(C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C1 2007657189 PSFLLWWUULKDOU-UHFFFAOYSA-N 433.524 5.154 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2CC(C#N)(N(C(=O)OC(C)(C)C)C3CCCCCC3)C[C@@H]2C1 2040989533 YQVXVIJFUCPHST-RTBURBONSA-N 447.620 5.486 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1scc(Br)c1C 2041205301 OLLMWWVUGOWJOW-JKSUJKDBSA-N 429.424 5.166 30 10 IKEE COc1ccc(C(=O)Nc2cccc(C=C3SC(=Nc4cccc(C)c4)NC3=O)c2)cc1 2042445965 KCNOPALMYLLWHP-UHFFFAOYSA-N 443.528 5.148 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@]1(C#N)CCC(F)(F)C[C@@H]1OCc1ccccc1 2043781049 JQLNMFVFOQNYBE-URXFXBBRSA-N 442.506 6.095 30 10 IKEE CC(C)(C)OC(=O)NC1CC2(CC[C@@]2(C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 2064201429 BYYWTHSDMSTXRG-KGMOOGKZSA-N 445.535 5.297 30 10 IKEE Fc1ccc(C(F)(F)F)c(Cn2nc(Cl)c(Br)c2C(F)(F)F)c1 2079214305 CDVKDYRJQWZCTR-UHFFFAOYSA-N 425.529 5.524 30 10 IKEE C[C@H](c1ccc(C2CCC2)cc1)n1nc(C2CC2)c(C=NO)c1I 2079950406 DYJLDEMLKBXONI-GFCCVEGCSA-N 435.309 5.050 30 10 IKEE CCCc1ccc([C@H](C2CCC2)n2nc(C(C)C)c(C#N)c2I)cc1 2080036688 XFDBEZQIUPBXIE-FQEVSTJZSA-N 447.364 5.825 30 10 IKEE CCCOc1ccc([C@@H](CC)n2nc(C3CCC3)c(C#N)c2I)cc1 2080063698 HZDWGSRPAHJKBX-GOSISDBHSA-N 449.336 5.415 30 10 IKEE CC(C)(C)c1nn(C(F)(F)F)c(Br)c1-c1ccc(F)c(C(F)(F)F)c1 2080828466 NXAIFENEPOWBQL-UHFFFAOYSA-N 433.165 6.244 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(C)sc(C)c1Br 2089289210 NZFDXBFVZNGPKS-QAPCUYQASA-N 443.451 5.475 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(Cc3ccccc3)CC2(C)C)c1 2098713099 DMDSYIRCXUHNEU-MHZLTWQESA-N 449.595 5.631 30 10 IKEE CCCC#CC[C@@H](NC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2138993129 GLDIZJKNWLRGNL-GGXMVOPNSA-N 443.587 5.660 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(Nc3cc(Br)ccc3C#N)CCCCC[C@@H]12 2162345041 YVRLAFUIEGGHIK-NQIIRXRSSA-N 434.378 5.445 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)C1(C#N)CC2(C[C@@H]2C(F)(F)F)C1 2205165933 YSMYSTCJKRUGME-NNGSBXSVSA-N 445.279 5.815 30 10 IKEE CN[C@H](C#Cc1ccccc1Br)[C@H](C)CCC[C@@H](C)NC(=O)OC(C)(C)C 2235724422 IEQOJFVTFGIGJJ-MBOZVWFJSA-N 437.422 5.108 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C=C[C@H](N)C#Cc2ccccc2Br)cc1 2235746076 HUVGGDNMTIMVRM-SFHVURJKSA-N 427.342 5.188 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)C(=O)C1=CCC(F)(F)CC1 2237426289 FBJUATKWXJKIOW-INIZCTEOSA-N 444.316 5.200 30 10 IKEE CC[C@H](C)N(Cc1ccccc1)C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2243431913 QHOUPEYLKCXXLD-HNNXBMFYSA-N 433.810 5.142 30 10 IKEE CC1(C)OB(c2csc(C(=O)N(Cc3ccccc3)C3CCCCC3)c2)OC1(C)C 2247816425 BOSGTROTCNDRPR-UHFFFAOYSA-N 425.403 5.022 30 10 IKEE N[C@@H](C#Cc1ccc(Br)cc1)c1cc(Br)c(Br)s1 2264197091 ANVWIHMQUOJVHL-NSHDSACASA-N 449.993 5.087 30 10 IKEE CCN(Cc1ccc(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)cc1)C(=O)OC(C)(C)C 2267500006 BYATTYZSHBZWHM-UHFFFAOYSA-N 444.381 5.009 30 10 IKEE C=C(C[C@H](OCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)OC 2275760505 MGEWYDKTYAOVFW-VWLOTQADSA-N 448.515 5.537 30 10 IKEE C#CC[C@H](C)C[C@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2276997232 JQXKOPAVPFPWHJ-FIPFOOKPSA-N 443.587 5.911 30 10 IKEE C=CCc1ccccc1OCCOc1ccc(Cl)cc1C=C1SC(=S)N(C)C1=O 2293449717 PJLWIOJMHAQWLI-UHFFFAOYSA-N 445.993 5.357 30 10 IKEE O=C(C=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(OCc2ccccc2)cc1 2296817765 MFSGMVZXTSGGOA-UHFFFAOYSA-N 449.333 7.729 30 10 IKEE CCCOc1ccc(C(O)=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2cccc(Cl)c2)cc1 2296923877 DZUPHVCNUFEGNO-QFIPXVFZSA-N 448.906 5.150 30 10 IKEE O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@@H](c2ccccc2F)C1=C(O)c1ccccc1 2296931268 BTYLXIZFJHYXTB-FQEVSTJZSA-N 448.450 5.201 30 10 IKEE CCc1ccc(-c2nc3cc(N=CC=Cc4cccc(Br)c4)ccc3o2)cc1 2297215043 OUAPJIBRTUQZDN-UHFFFAOYSA-N 431.333 7.235 30 10 IKEE CCN1C(=O)C(=C2Sc3ccccc3N2C)SC1=Nc1ccccc1-c1ccccc1 2297553840 UZRPAGIHXDKHQS-UHFFFAOYSA-N 443.597 6.348 30 10 IKEE Cc1ccc(C)c(COc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2Cl)C3=O)c1 2314438360 PVRMILHXNNNPCZ-UHFFFAOYSA-N 425.311 6.805 30 10 IKEE CCCN[C@@H](C#CC1(OC)CCCCC1)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 2316387311 MXFAMDRRNDUYJJ-DEOSSOPVSA-N 442.644 5.535 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C2CC2)c1 2320892272 LKDUHLPVXNHBOV-UHFFFAOYSA-N 433.364 5.651 30 10 IKEE Cc1cc(OCc2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O2 2321773130 XRZRNDZEORTQPZ-UHFFFAOYSA-N 445.729 7.150 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1cccs1)O3)CN(CCc1ccc(Cl)cc1)CO2 2321928158 RDNWCBYNKPLURV-UHFFFAOYSA-N 437.948 5.721 30 10 IKEE Cc1ccc(Cc2nnc(S)n2N=Cc2ccccc2OCc2ccccc2C)cc1C 2321998535 RUUJPVLUSRVJHG-UHFFFAOYSA-N 442.588 5.544 30 10 IKEE O=C1C(=Cc2cccc(Br)c2)Oc2c1ccc1c2CN(C2CCCC2)CO1 2322016075 LOWJMLUVIAFBCE-UHFFFAOYSA-N 426.310 5.160 30 10 IKEE COc1cccc(C=CC(=O)c2ccccc2Cl)c1OCC(=O)Nc1cc(C)ccc1C 2322437208 MQVIQZKPXMNVOQ-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(Cl)ccc1OCC(=O)NCc1ccccc1 2322646517 JOMKJUVQMLFTPO-UHFFFAOYSA-N 449.934 5.248 30 10 IKEE Cc1c(OC(=O)C2CCCCC2)ccc2c1OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2322738361 ZZKMNOKLITUDNP-UHFFFAOYSA-N 438.523 6.764 30 10 IKEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2sccc2C)C3=O)cc1OC 2322748491 IJHOCAIAJUEDOH-UHFFFAOYSA-N 436.485 5.218 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1cccc(OCc2cccc(Cl)c2)c1 2323299907 IXIDZXZVPJAIQP-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OCc1ccccc1 2323419916 TZCSQEGERVVVLX-UHFFFAOYSA-N 428.528 6.058 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)c4cccc(OC(C)C)c4)ccc3C2=O)cc1 2323808621 BXMRDRKIKCNYEW-UHFFFAOYSA-N 428.484 5.872 30 10 IKEE Cc1cc(O)c(CN2CCCC[C@@H]2C)c2c1C(=O)C(=Cc1ccccc1Br)O2 2324010255 OGEQCGPSTMZIDE-HNNXBMFYSA-N 442.353 5.454 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)cc([N+](=O)[O-])c1OCC 2324331417 XODLPKBXXSJNIF-UHFFFAOYSA-N 440.279 5.604 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(Cl)c(Cl)c3)n2)cc1 2324430202 XCYGVNJZRILETH-MRXNPFEDSA-N 429.328 6.015 30 10 IKEE CC(C)(C)c1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3cccc([N+](=O)[O-])c3)n2)cc1 2324611567 IZUHIEMUCOIXSP-FQEVSTJZSA-N 431.517 5.905 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OCc3cc(C)ccc3C)c(OC)c2)cc1C 2324649158 BFBFIYSCRTZFKR-UHFFFAOYSA-N 430.544 6.413 30 10 IKEE Cc1cc(C)c(COc2ccc3c(c2C)OC(=Cc2c(F)cccc2Cl)C3=O)cc1C 2324765376 OHDXYGZNCCWOFA-UHFFFAOYSA-N 436.910 6.908 30 10 IKEE Cc1cccc(C(C)C)c1NC(=O)COc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O 2324989862 IXZLXNFSIWKHHF-UHFFFAOYSA-N 445.490 5.891 30 10 IKEE O=C1C(=Cc2ccc(F)cc2)Oc2cc(OCc3cccc(Oc4ccccc4)c3)ccc21 2325345592 PYVVRTGJQNBHAN-UHFFFAOYSA-N 438.454 6.813 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(OC)c(OC)c1 2325558923 NOIALOVHMDIQNA-UHFFFAOYSA-N 430.961 5.076 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2cccc3ccccc23)c1)c1ccc2ccccc2c1 2325700338 GZNKDURYARZHIQ-UHFFFAOYSA-N 428.487 7.108 30 10 IKEE COc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)c1ccccc1Cl 2325721262 WYIUOFMTKWPVDZ-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1OC(=O)c1cc(C)cc(C)c1 2325756563 QTDBCSINJOASCQ-UHFFFAOYSA-N 442.555 6.661 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)CCc3ccccc3)c2)c(OC)c1OC 2325787436 MCLSEFAEFCBRAY-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccccc3Cl)n2N=Cc2cc(C)ccc2O)cc1 2329524558 NMYGFSDKOCDWRZ-UHFFFAOYSA-N 448.979 6.095 30 10 IKEE COc1ccccc1C=Nn1c(Cc2ccc(F)cc2)nnc1SCc1ccccc1 2329837203 ZDMNTBLBYFBLCI-UHFFFAOYSA-N 432.524 5.191 30 10 IKEE Cc1cccc(CSc2nnc([C@@H](C)c3ccccc3)n2N=Cc2ccc(F)cc2F)c1 2330073647 YAHPWJCWOLYJFL-SFHVURJKSA-N 448.542 6.191 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2cccs2)n1N=Cc1ccccc1Cl 2330330896 XGLYZXFVUZWNCD-UHFFFAOYSA-N 439.009 6.067 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3cccs3)n2N=Cc2cccc(F)c2)c1 2330393125 ABWGAPSACZFPJL-UHFFFAOYSA-N 436.581 5.861 30 10 IKEE COc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2C)cc1 2330459039 CXZXNDXGIWDKIZ-UHFFFAOYSA-N 428.561 5.360 30 10 IKEE Cn1cc(C=Nn2c(SCc3ccc(F)cc3)nnc2-c2cccs2)c2ccccc21 2330539054 AZUCJARIDQWKME-UHFFFAOYSA-N 447.564 5.812 30 10 IKEE Cc1ccsc1C=Nn1c(SCc2ccccc2Cl)nnc1-c1cccs1 2330584410 MSSLXRMLJVJASX-UHFFFAOYSA-N 431.011 6.204 30 10 IKEE O=[N+]([O-])c1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2-c2ccccc2)cc1 2330672907 JSLXLJCDXIXLRA-UHFFFAOYSA-N 449.923 5.681 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)Cc3ccc(C)cc3)c(OC)c2)cc1 2330742274 RSAQBWYDPQFMAB-UHFFFAOYSA-N 444.527 5.619 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(OC)c2)cc(OC)c1OC(=O)Cc1cccs1 2330796990 SKQABJPOESTCST-UHFFFAOYSA-N 448.540 5.538 30 10 IKEE C=C(C)CSc1nnc(CC(C)(C)C)n1N=Cc1cccc(OCc2ccccc2)c1 2330840394 LOVCRIOJPXVOOY-UHFFFAOYSA-N 434.609 5.996 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc([C@@H]2CCCO2)n1N=Cc1cccnc1 2330975410 FNZGZBXLNXNXCU-KRWDZBQOSA-N 434.352 5.006 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)c1ccc(F)cc1 2331118915 JMNLOKRAPFINTG-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)c1ccccc1C 2331214823 MANGFZIFOLTHHS-UHFFFAOYSA-N 434.919 6.389 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2cc(C)ccc2OC)cc1 2331352433 VBAJYJVNTYBWCB-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1cc(C)ccc1O 2331356084 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Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(OC(C)C)cc2)cc1C 169977348 IUUHUHLMHBPYDD-VWLOTQADSA-N 441.527 5.874 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2cccs2)ccc1F 169988273 FXEGXEHVNHVGKF-IBGZPJMESA-N 429.419 5.257 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(O)c(Cl)c2)c1 170042091 UZSAVRJPXVVSSJ-QFIPXVFZSA-N 439.939 5.573 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4cc(F)ccc4[nH]3)[C@H]2c2ccccc2)c1 170056341 LKBJCHFPUWHDEW-QFIPXVFZSA-N 441.462 5.102 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccccc2F)c1 170070838 OBELAHJLYWIEOT-JOCHJYFZSA-N 435.882 5.879 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2c[nH]c3ccccc23)c1 170078270 AQFDDAHFPZKAMQ-DEOSSOPVSA-N 428.532 5.696 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cn(C)c3ccccc23)cc1 170085673 NCMVSDAPLARFNF-XMMPIXPASA-N 428.532 5.262 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2c2ccccc2)cc1 170113483 XVXVBFZZYQNJFI-VWLOTQADSA-N 439.511 5.357 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(O)cc2)cc1C(C)C 170132713 UDEAZQLKAINDAN-DEOSSOPVSA-N 443.499 5.307 30 10 IKEE Cc1cc(Cl)ccc1NC1=C(c2ccc(F)cc2)C(=O)N(c2ccc(C#N)cc2)C1=O 170150006 SDFNXSFFBYHKMK-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 170150040 XRTIJIQPEFVTIH-QHCPKHFHSA-N 435.564 5.760 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1cccnc1)c1cccc2ccccc12 170183157 SKCOJLYIEJYWPL-QFIPXVFZSA-N 426.497 5.075 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2cccnc2)ccc1Cl 170186919 PSKNWZDICCSCAX-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(Cl)c3)[C@H]2c2ccncc2)c1 170200802 WWGBERQYKBRAJQ-HXUWFJFHSA-N 439.298 5.480 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc2ccccc12 170221124 MJYPZZVCLBXKOB-NRFANRHFSA-N 440.326 6.135 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@H]1c1ccc(Cl)cc1 170236262 DZJALYKHVJUQDA-LJQANCHMSA-N 448.346 5.689 30 10 IKEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)cc4)[C@@H]3c3ccc(F)cc3)ccc2O1 170238700 CZWQBLLAFWCZQG-LFVRLGFBSA-N 447.437 5.071 30 10 IKEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)cc4)[C@H]3c3ccc(F)cc3)ccc2O1 170238703 CZWQBLLAFWCZQG-PSLXWICFSA-N 447.437 5.071 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(F)cc2)cc1C 170241224 FRQWTECPKNZIKE-HSZRJFAPSA-N 449.478 5.294 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1ccccc1F 170248447 RKSSHBVHYTYPAH-QHCPKHFHSA-N 445.490 5.542 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2F)cc1C 170251764 BXWDRTDCPCHNPU-QHCPKHFHSA-N 437.511 5.362 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1c1cccc(F)c1 170270708 JSOIQYBBELIBPI-QHCPKHFHSA-N 426.447 5.398 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccco2)cc1C(C)(C)C 170281554 ZPQLGFLOUAQWAQ-QFIPXVFZSA-N 449.478 5.508 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(OCc2ccccc2)cc1 170437935 LUPUDCPVTBJFIZ-SANMLTNESA-N 441.527 5.781 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2ccc(N(CC)CC)cc2)cc1 170452806 RBCFWEOYRFUGPY-QHCPKHFHSA-N 434.580 5.610 30 10 IKEE Cc1cccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2cccc(OC(F)(F)F)c2)c1 170458419 QAOIFIBSUWTNJO-FQEVSTJZSA-N 433.426 5.409 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1cccs1 170477848 DFQMFSVEQKNQTL-OAHLLOKOSA-N 432.954 5.526 30 10 IKEE N#Cc1c(NS(=O)(=O)c2ccc(Cl)cc2)oc(-c2ccccc2)c1-c1ccccc1 170550211 ITAGYSMQDJOVDW-UHFFFAOYSA-N 434.904 5.939 30 10 IKEE CC#CCOc1ccc(CN(Cc2cccnc2)C(=O)/C=C\c2ccccc2Cl)cc1 209480719 JTNZLEYBGMMMOK-QINSGFPZSA-N 430.935 5.379 30 10 IKEE CC(=NN=C1N=C(O)[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)S1)c1ccc(C)cc1 252606311 GQWUGLXVQCFTQL-KRWDZBQOSA-N 448.470 5.195 30 10 IKEE O=C1/C(=C\c2cccc(Cl)c2Cl)SC(=Nc2ccccc2)N1c1ccccc1 252629614 UKBNRNSJEYFUED-NLEVOZIKSA-N 425.340 6.802 30 10 IKEE O=[N+]([O-])c1ccc(-c2ccc(C=NN=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)o2)cc1 254489740 JGLRYDVTSPUKQZ-UHFFFAOYSA-N 430.376 5.476 30 10 IKEE O=C(Nc1cc(C(F)(F)F)ccc1F)c1ccc(Br)c(C(F)(F)F)c1 327242092 WJFSKVGMEHUNPG-UHFFFAOYSA-N 430.117 5.878 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@H]2c2ccc(Br)cc2)cc1 526487899 AXUVRUQWLMONPE-OAQYLSRUSA-N 449.279 5.517 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2c[nH]c3ccccc23)cc1 526513820 BPDIOSCMHUNZIM-RUZDIDTESA-N 435.483 5.495 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2sccc2C)c1 526603908 ILDNUOAQUNFGSV-QFIPXVFZSA-N 430.529 5.774 30 10 IKEE Cc1ccc(CSc2nncn2/N=C\c2cc(Cl)c(OCC(C)C)c(Cl)c2)cc1 526803658 FXGJBLWYPJDRGQ-MRUKODCESA-N 449.407 6.103 30 10 IKEE Cc1cccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2cccc(Cl)c2)c1 526813200 ZDFAVXNDFWDUMD-QQXSKIMKSA-N 432.980 6.005 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1ccc(OC(C)(C)C)cc1 526823118 QQLNYEZQVIFNJQ-PKAZHMFMSA-N 447.608 5.844 30 10 IKEE C=CCCN(c1ccc(N2CCCC2)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586243715 RBEIPUFFIAJXJO-UHFFFAOYSA-N 425.381 5.365 30 10 IKEE COc1nsc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(C)c2)c1Br 690141156 WMMKXLDGOQSEAS-ZDUSSCGKSA-N 438.347 5.229 30 10 IKEE C=CCCCCC[C@@H](NCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 693700924 IQQXKZZPGBMRGF-XMMPIXPASA-N 443.676 5.661 30 10 IKEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1ccc(Br)c(Cl)c1 698379163 SBOURKHSTTYNHK-QGZVFWFLSA-N 444.801 5.246 30 10 IKEE COc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)cc1O 698481019 CPNHATLGBJJUPP-MRXNPFEDSA-N 433.302 5.170 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 698906519 ZRCQGZVYSOQAEB-MWTRTKDXSA-N 433.524 5.106 30 10 IKEE C[C@H](Sc1n[nH]c(NN=Cc2cccc(Cl)c2Cl)n1)c1nnc(C2CCC2)o1 1084569953 JOGGXKZICWRIPO-VIFPVBQESA-N 438.344 5.061 30 10 IKEE Cc1ccc(NC(=S)N/N=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 1857811295 NITMVZIVDMQYQS-YSMPRRRNSA-N 429.524 5.307 30 10 IKEE N#Cc1ccccc1COc1cccnc1NC(=O)c1ccc(OCc2ccccc2)cc1 1858738890 KHOSHZDGBLDXLJ-UHFFFAOYSA-N 435.483 5.364 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2cc(C)ccc2OC)n(Cc2ccc(Cl)cc2)n1 1862350432 HQKWWQVMCKTYEB-UHFFFAOYSA-N 435.955 5.383 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(C(C)(C)C)cc2)n(-c2cccc3ccccc23)n1 1862364970 QNXIOWOZZGKGBT-UHFFFAOYSA-N 449.598 6.804 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2cccc(C)c2)cc1 1862390276 ZJWWVHNECXLKFW-AREMUKBSSA-N 439.555 6.116 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(F)cc2)cc1 1862390547 GQIIOAFGXJFTRW-QHCPKHFHSA-N 449.547 6.008 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@@H]2c2ccc(F)cc2)c1 1862430795 SCGDVQLPTONBQJ-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCC(C)C)c1 1862450217 BYNRZCCUDHIBKE-QFIPXVFZSA-N 441.955 5.753 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1c(Cl)cccc1Cl 1862452205 XDFLVLOJNFJCGD-ZMZPIMSZSA-N 438.738 6.024 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(Br)c1 1862452904 MXTIEPUXVYUULC-KPZWWZAWSA-N 448.744 5.479 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862506927 BXVMSJSKJVWECD-XMMPIXPASA-N 433.523 5.911 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862673794 OIZKRXPKXHZHTH-QHCPKHFHSA-N 433.454 5.306 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2cccc(F)c2)cc1 1862687563 MUFIFPZWYKDNJW-HSZRJFAPSA-N 435.495 5.303 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1cc(Cl)cc(Cl)c1 1862705605 CCJQUZOJQIQGEA-HXUWFJFHSA-N 448.346 5.771 30 10 IKEE N#Cc1cccc(N2C(=O)C(Nc3cccc(F)c3)=C(c3cccc4ccccc34)C2=O)c1 1862850436 UEHVKAWTKCMXOM-UHFFFAOYSA-N 433.442 5.247 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(C(C)(C)C)cc3)C2=O)cc1 1862891707 GSTPXPUQIMGURK-UHFFFAOYSA-N 435.527 5.561 30 10 IKEE N#Cc1ccccc1N1C(=O)C(Nc2ccc(Cl)cc2)=C(c2ccccc2Cl)C1=O 1863083147 KEGGPJJRCIOPFA-UHFFFAOYSA-N 434.282 5.262 30 10 IKEE CCCCCCCCNC1=C(c2ccc(C)cc2)C(=O)N([C@@H](C)c2ccc(CC)cc2)C1=O 1863630573 TWFSKUJOIXUGFQ-QFIPXVFZSA-N 446.635 6.349 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(N2CCCC2)cc1 1866029894 NTOVRNWQXWLALD-UHFFFAOYSA-N 428.705 8.487 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)NCc1ccc(OC)c(OC)c1 1866030087 YAYQMCDILIWZDR-UHFFFAOYSA-N 433.677 7.582 30 10 IKEE Cc1ccccc1-c1nc(Nc2cccc(C#N)c2)cc(N2CCO[C@@H](c3cccnc3)C2)n1 1868292449 ANNPBFNBPQVPPV-XMMPIXPASA-N 448.530 5.040 30 10 IKEE Cc1ccc(-c2nc(Nc3ccccc3C#N)cc(N3CCN(CC(C)(C)C)CC3)n2)cc1 1868327205 NRYOHCKMECXJHO-UHFFFAOYSA-N 440.595 5.235 30 10 IKEE Cc1ccc(C)c2c1C[C@H](C)CN2c1cc(Nc2ccccc2C#N)nc(C(C)(C)C)n1 1868350602 LPRXQGWRQWCSAP-KRWDZBQOSA-N 425.580 6.337 30 10 IKEE CCCCCCCCn1cc(C(=O)NC(c2ccccc2)c2ccccc2)c(O)cc1=O 1870118618 MSOYCNDPECSQSY-UHFFFAOYSA-N 432.564 5.434 30 10 IKEE CCn1cc(OCc2ccccc2C)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870170319 ABMKZMYERWTBCS-UHFFFAOYSA-N 433.577 5.240 30 10 IKEE C=CCOc1cn(Cc2ccc(F)cc2)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870244295 ISFMFYPOZDMQLS-UHFFFAOYSA-N 449.551 5.085 30 10 IKEE CCCCCCCCn1cc(OCCOC(C)C)c(=O)cc1CSc1nccn1C 1870293050 FQNBCBIZEBXHHL-UHFFFAOYSA-N 435.634 5.038 30 10 IKEE C=CCOc1cn(C[C@H](O)c2ccc(Cl)cc2)c(CNc2cc(C)cc(C)c2)cc1=O 1870812907 NUCZYFMZRPBKDN-DEOSSOPVSA-N 438.955 5.029 30 10 IKEE CCCCCCCOc1cn(CCc2cnc[nH]2)c(CNc2ccc(C)cc2C)cc1=O 1870836404 MSZDGTBRZNZIHZ-UHFFFAOYSA-N 436.600 5.392 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2)Oc2cc(OC(=O)c3ccc(F)c(F)c3F)ccc21 1871370573 SDTHSIIMCOPRNQ-NVMNQCDNSA-N 430.765 5.593 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(C)c2)C3=O)CC1 1871383840 WRQQFFHAWAKHKB-UQQQWYQISA-N 432.560 6.822 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OCCCc4ccccc4)c3C)C2=O)c(OC)c1 1871399329 JKJRBUAXAYEQLZ-XYGWBWBKSA-N 430.500 5.640 30 10 IKEE C[C@@H](Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O)C(=O)Nc1cc(Cl)ccc1Cl 1871402529 VQUQGQPTCBOVAK-SVKBEJCWSA-N 444.270 5.609 30 10 IKEE COc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccccc1C)C2=O 1871412523 USNLIBBLMTWLBS-BEXDPUPVSA-N 443.499 5.334 30 10 IKEE CCc1ccc(OCCCOc2ccc3c(c2C)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871412883 JQDMROHFNWVDTH-ITYLOYPMSA-N 428.528 6.330 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4cccc(C)c4C)ccc3C2=O)c1 1871413806 OWKMZKKNTMTYBD-ILRHRSLTSA-N 427.500 5.634 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccc(Cl)cc4)ccc3C2=O)c1 1871415120 SZNHXKZXDCJRMP-YOBACFSGSA-N 433.891 5.671 30 10 IKEE Cc1c(OCc2cccc3ccccc23)ccc2c1O/C(=C\c1c(F)cccc1Cl)C2=O 1871433402 CMDCCPJIDJTHPL-QFEZKATASA-N 444.889 7.136 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCCC(=O)Nc4ccccc4)cc(C)c3C2=O)cc1 1871446967 KTLRAIOMRVFKPQ-HAHDFKILSA-N 429.472 5.027 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)c1 1871454227 KZZYNWUVSKZHCA-FMCGGJTJSA-N 431.463 5.385 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cccc(F)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1871987689 JLOFHZZQTHWJEE-SBUREZEXSA-N 446.588 5.063 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cccc(C)c1C)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872502953 NEHXYGMZCFHDCF-XMMPIXPASA-N 442.625 5.150 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)cc1C)C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1872519339 FUTGERAVUSUQBF-QFIPXVFZSA-N 449.016 5.187 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1 1872556221 ADVDHECHKOSBEW-XMMPIXPASA-N 442.625 5.376 30 10 IKEE CC(C)c1ccc(-c2csc([C@@H](C#N)C(=O)/C=C\c3ccc4c(c3)OCCO4)n2)cc1 1872776415 PHKHHRAQSYFUOO-ALCXOSAQSA-N 430.529 5.594 30 10 IKEE C=CCc1ccccc1OCc1cccc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c1 1872833872 FFYBUBWITLLWOM-IQLHJDJVSA-N 429.604 6.329 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(F)c(Cl)c2)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873276424 GWRKPYBDDLXJHJ-UHFFFAOYSA-N 432.882 5.524 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(F)c2)=C(c2c(C)cc(C)cc2C)C1=O 1873331643 VALBWWQEAMNBPG-UHFFFAOYSA-N 436.571 6.303 30 10 IKEE COC(=O)c1nc(-c2cccs2)oc1N/N=C/c1ccccc1OCc1ccccc1 1873463344 FYZPCGMIYVGEMP-ZVHZXABRSA-N 433.489 5.215 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc2c(NCCC)ncnc21 1873600974 ARLUBQXZTDNOHP-UHFFFAOYSA-N 441.535 5.271 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(C(C)C)cc1)n2C 1873629151 OFCHVIYUJBELKL-UHFFFAOYSA-N 449.643 6.897 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3cc(Cl)ccc3C)c(=O)oc2c1C 1873903752 BPNVBVNSYOZGIO-UHFFFAOYSA-N 425.912 5.508 30 10 IKEE CCSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1cccc(O)c1 1874196860 GFYURPYHPXOCRB-KOEQRZSOSA-N 432.549 5.143 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccccc1OC 1874213751 DJEQJPNDXOOZQB-LFVJCYFKSA-N 442.972 5.112 30 10 IKEE CCCCC1CCC(c2nnc(SCCCO)n2/N=C/c2cccc([N+](=O)[O-])c2)CC1 1874286717 VBTYAHQTZRBAMC-XQNSMLJCSA-N 445.589 5.007 30 10 IKEE C=C(C)CSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1cccc2ccccc12 1874288108 NZPZACPAYURBBO-MTDXEUNCSA-N 446.664 7.446 30 10 IKEE CCCSc1nnc(CCc2cccs2)n1/N=C/c1c(Cl)cccc1Cl 1874372105 IQRYCGZURKCIJJ-CIAFOILYSA-N 425.410 5.816 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3F)n2/N=C/c2ccccc2O)cc1 1874389617 VWKFOLWJUDDQGT-CVKSISIWSA-N 432.524 5.197 30 10 IKEE Cc1cccc(CSc2nnc([C@@H](C)c3ccccc3)n2/N=C/c2cccc(O)c2)c1 1874393095 CQRZZULLUADHCF-JHKMYFMNSA-N 428.561 5.618 30 10 IKEE CCc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccccc2Cl)cc1 1874438805 UTQWILWWHFHWMZ-MFKUBSTISA-N 427.017 6.257 30 10 IKEE CCCCCCOc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCC)cc1OC 1874438999 FECKQSYUZQPKOU-JJIBRWJFSA-N 432.634 5.829 30 10 IKEE Cc1ccccc1CSc1nnc(C(F)(F)F)n1/N=C/c1c(F)cccc1Cl 1874458599 WWDKKMWREUPUMZ-PGGKNCGUSA-N 428.842 5.572 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(F)(F)F)n2/N=C/c2cccc3ccccc23)c1 1874461587 VLPMYJOCHSZQKV-UVHMKAGCSA-N 440.494 6.241 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc(O)c(OCC)c1 1874479917 ZEJBLYRXWQJSTM-ZVHZXABRSA-N 444.988 5.553 30 10 IKEE CC(C)c1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc2c(c1)OCCO2 1874513955 YSZBKIABCSSILD-FSJBWODESA-N 428.945 5.001 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1c(OCc2ccccc2)ccc2ccccc12 1874588891 KFBYDEHRQNKRKH-BUHFOSPRSA-N 442.942 7.285 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)cc1C 1874591111 STNQTVOUOORZRL-MDWZMJQESA-N 433.479 5.365 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1OCC(=O)OCC(C)C 1874592792 CBSOZCSATRINMY-OQLLNIDSSA-N 444.527 5.836 30 10 IKEE CCCN(CCC)C(=O)COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OC 1874592948 KJHOFODDHWJGNJ-GXDHUFHOSA-N 449.591 5.498 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OCC(=O)NC2CCCCC2)c1 1874598005 OOWVDLBLHXHSNG-FYWRMAATSA-N 449.591 5.717 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1cccc([N+](=O)[O-])c1 1874601833 FZVHAIWFXIUAKO-YRNVUSSQSA-N 428.271 6.377 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1)NC1CCCCC1 1874607748 DKOFKOGLZZXPHH-OVCLIPMQSA-N 442.353 5.173 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCc3cc(C)ccc3C)c(Br)c2)cc1 1874615899 CWEGUROQVYMVLZ-XYOKQWHBSA-N 435.361 6.849 30 10 IKEE CCCNC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(C)cc2C)cc1OCC 1874617477 DNFYSWQBSANOIT-CSKARUKUSA-N 429.944 5.157 30 10 IKEE CCCOc1c(Br)cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OCC 1874635790 YIJYOEBYORRPQI-CMDGGOBGSA-N 431.370 6.458 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cccc(OC(=O)CCCSC)c2)c1 1874711656 GMYIZXIZUQNSBW-ACCUITESSA-N 428.550 5.429 30 10 IKEE COc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3cc(Cl)ccc3Cl)c2)cc1 1874718212 DXDKOMCYZIVJFE-LFYBBSHMSA-N 427.283 6.117 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)cc3)c(OCC)c2)cc1 1875106655 YRENUXLIGMCNJH-LDADJPATSA-N 442.555 6.852 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OC(=O)Cc1ccc(F)cc1F 1875127388 BLDWIMYSUILLOU-JXMROGBWSA-N 442.845 5.671 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)c3ccccc3)c(OCC)c2)cc1 1875130309 FSNKLSOXFSZJOT-FVECTHPASA-N 444.527 6.089 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)c1cccc(C)c1 1875137798 FMICRZWLZMXODO-VAWYXSNFSA-N 430.500 5.744 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3-c3ccccc3)cc2)c1 1875138450 WOOVLHAKAKBHFT-KNTRCKAVSA-N 432.519 7.086 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)Cc1ccc(F)cc1 1875138501 YJFIRCVEXVLJPH-FMIVXFBMSA-N 448.490 5.504 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2Cl)c1 1875148762 UPFSQCMJURKOEH-WUXMJOGZSA-N 446.974 7.370 30 10 IKEE CC#CCCCC[C@@H](N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1885370401 PDCLBSYCVFCDJL-GGXMVOPNSA-N 443.587 5.789 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)C2(C#N)CC3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1 1917716856 YXWHVHWJWPBLCT-UHFFFAOYSA-N 441.572 5.420 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]1(CCC)CCN(C(=O)OC(C)(C)C)C1 1922068430 IORCYVGKOSGDRM-BVAGGSTKSA-N 430.633 5.555 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1csc([C@H](C)NC(=O)OC(C)(C)C)n1 1922080522 OVBIPPYYQJZEPL-GHTZIAJQSA-N 445.629 5.543 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1sccc1CNC(=O)OC(C)(C)C 1922112847 ORDJBGJWEFVXFT-OAQYLSRUSA-N 430.614 5.587 30 10 IKEE CC1(C)CC[C@@H](Nc2ccc(Br)c(C#N)c2)[C@@H](CNC(=O)OC(C)(C)C)C1 1927102008 KVOAIKWXMCGUKW-CRAIPNDOSA-N 436.394 5.452 30 10 IKEE C#CCCCCC[C@@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 1947474586 JMSKEYWWBMQJDJ-ZEQRLZLVSA-N 430.633 5.439 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CCC2 1948905056 KOGIYKOZWKCJPX-FXSPECFOSA-N 428.617 5.307 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)NCCC 2005212873 LXTMNGLOHHBWFQ-DHIUTWEWSA-N 430.633 5.411 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2cccc(NC(=O)OC(C)(C)C)c2)c1 2031660032 JNQKTHDWWKZLMM-OAQYLSRUSA-N 437.540 6.348 30 10 IKEE CN(C[C@](C#N)(N(C(=O)OC(C)(C)C)c1ccc(F)cc1)C(C)(C)C)C(=O)OC(C)(C)C 2032015340 WXJWEKOUAKKQNC-DEOSSOPVSA-N 449.567 5.743 30 10 IKEE CC[C@@H](C)N(Cc1ccccc1)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(F)(F)F 2052614540 PQGMOXWTHIGPGZ-QGZVFWFLSA-N 433.323 5.810 30 10 IKEE COc1ccc(OC)c(C=CC(=O)c2c(O)nc3cc(C)ccc3c2-c2ccccc2)c1 2053657177 XKJKBIQSAWJJIL-UHFFFAOYSA-N 425.484 5.829 30 10 IKEE C=C1CC(C[C@H](NCCC)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)C1 2061657347 PJRFHQZWHMSRFE-RPLLCQBOSA-N 442.644 5.555 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2067213992 KCKVOIJAFGTMCY-RUZDIDTESA-N 447.620 5.630 30 10 IKEE O=C(O)[C@@H](ON=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C1CC1 2071324215 RSQJQXJCCJNQCI-VWLOTQADSA-N 431.488 5.058 30 10 IKEE C#CCCCC[C@H](N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071361954 YGTICSTVWHTYGE-LBNVMWSVSA-N 429.560 5.399 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccccc1 2072717439 CGVSZIZFBYLJAS-FQEVSTJZSA-N 442.353 5.608 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2076316156 FCWWPCVHGXQXDN-MZNJEOGPSA-N 447.551 5.497 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)c1 2077947423 HDPJAEUMBRQGMF-PMACEKPBSA-N 443.588 5.664 30 10 IKEE C[C@@H](c1ccc(C2CCC2)cc1)n1nc(C2(C)CC2)c(C=NO)c1I 2079978463 AVDYAPVNLZTWSB-ZDUSSCGKSA-N 449.336 5.224 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCCC[C@H]1C(F)(F)F 2144653817 IQTFWWDOTULYOB-QAPCUYQASA-N 447.295 6.205 30 10 IKEE CC(C)(C)OC(=O)NCc1ccc(CNc2cccc(Br)c2C#N)c(F)c1 2162387335 LXXJRLYQTZJWLR-UHFFFAOYSA-N 434.309 5.097 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](CNc2ccc(C#N)c(Br)c2)[C@@H]2CCCC[C@@H]21 2179394046 WPSKMVNLKFYODE-IEZWGBDMSA-N 434.378 5.158 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCCC)c2cc(Br)ccc2C)C1 2202489467 KTFWDEWJZZKCEU-IBGZPJMESA-N 437.422 5.659 30 10 IKEE C=CCCCCCCC[C@H](NCC)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2214615771 RGJSNLHTZNZSJB-BJKOFHAPSA-N 432.649 5.991 30 10 IKEE C=CC[C@H](C)[C@H](NCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229117221 XCCZSTOMNVSQPN-SNRMKQJTSA-N 425.411 5.075 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Br)ccc1[C@@H](O)C#Cc1cccc(Cl)c1 2231024760 JNHBYILNSONKSA-SFHVURJKSA-N 436.733 5.535 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)[C@H](CC(C)(C)C)NC(=O)OC(C)(C)C 2235734198 WFKHBJPRBBVZLM-MOPGFXCFSA-N 437.422 5.108 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 2252599667 CKJWALDYJYLAKT-YWZLYKJASA-N 449.514 5.104 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1sc(Br)c(C)c1C 2254670177 DOKXTAPLWPFKGV-GJZGRUSLSA-N 429.424 5.085 30 10 IKEE O=C(C#Cc1ccc(Br)cc1)c1c(Br)cccc1Br 2278737215 IFIIRJHAHSMWHB-UHFFFAOYSA-N 442.932 5.209 30 10 IKEE CCOc1ccc(N=C2NC(=O)SC2=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 2294818801 MHEARSTZMUHZRS-UHFFFAOYSA-N 435.461 5.781 30 10 IKEE CN[C@@H](C#Cc1cccc(Br)c1)c1cc(Cl)cc(NC(=O)OC(C)(C)C)c1 2296271855 IBXRNFDROSFROU-IBGZPJMESA-N 449.776 5.762 30 10 IKEE CN(C(=O)OC(C)(C)C)C1(C[C@H](N)C#Cc2cccc(Br)c2)CCCCC1 2296280362 ZOVDNVMFWKBITF-LJQANCHMSA-N 435.406 5.088 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@@](C)(CC)CNC(=O)OC(C)(C)C 2296310972 QEJCZONPPIWRGP-UGKGYDQZSA-N 437.422 5.110 30 10 IKEE COc1ccccc1COc1ccc2c(c1C)OC(=Cc1cn(C)c3ccccc13)C2=O 2296871239 GILGVDMLVJYXSX-UHFFFAOYSA-N 425.484 5.691 30 10 IKEE CCn1cc(C=C2Oc3cc(OCc4cccc(OC)c4)ccc3C2=O)c2ccccc21 2296872060 RIOAIJQUVPDBRR-UHFFFAOYSA-N 425.484 5.865 30 10 IKEE CCCCN=C(C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1NC(C)=O 2297413568 MZSLLKDEBQZAIF-UHFFFAOYSA-N 439.865 5.545 30 10 IKEE Cc1ccc(NN=C(C(=O)Nc2nc(-c3ccccc3)cs2)C(=O)c2ccccc2)cc1 2297708952 JIJDHYAKFADMPE-UHFFFAOYSA-N 440.528 5.408 30 10 IKEE CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2299178404 ZEDKNLLGRDWCND-RBUKOAKNSA-N 435.609 5.484 30 10 IKEE CCCN[C@@H](C#CC1(OC)CCCC1)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 2300742638 AXDVRKCSCHZPCS-QHCPKHFHSA-N 428.617 5.145 30 10 IKEE O=C1NC(=Nc2ccc(F)cc2)SC1=Cc1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 2313557587 GZASRQOAILNPRB-UHFFFAOYSA-N 449.463 5.205 30 10 IKEE Cc1c(C=C2SC(=Nc3ccccc3)N(C3CCCCC3)C2=O)c2ccccc2n1C 2313565197 ZNCQXVVTARBBCL-UHFFFAOYSA-N 429.589 6.423 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2Cl)SC(=Nc2nccs2)N1c1ccccc1 2314542571 MEKYHLAMMGQUCM-UHFFFAOYSA-N 432.357 6.259 30 10 IKEE CCOc1cc(C=C2SC(=Nc3nc(-c4ccccc4)cs3)N(C)C2=O)ccc1O 2314543513 FYTURXVGRFDVGW-UHFFFAOYSA-N 437.546 5.148 30 10 IKEE CCN1C(=O)C(=Cc2ccc(Cl)cc2)SC1=Nc1nc(-c2ccccc2)cs1 2314544159 VENVEQIJJJSAJL-UHFFFAOYSA-N 425.966 6.087 30 10 IKEE CCCCCCCCCCn1c([C@@H](C)NC(=O)C=Cc2ccccc2)nc2ccccc21 2314867224 BKVDIIFTJLSEMZ-HSZRJFAPSA-N 431.624 7.068 30 10 IKEE C=CCc1ccccc1OCCCCn1c(CCCNC(=O)C=CC)nc2ccccc21 2314884171 POKADGYEISXHBV-UHFFFAOYSA-N 431.580 5.249 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@H](C#N)[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 2321345327 QCTGITFDTXSZAB-WOJBJXKFSA-N 447.620 5.628 30 10 IKEE Cc1cc(OCC(=O)OC(C)(C)C)cc2c1C(=O)C(=Cc1c(Cl)cccc1Cl)O2 2321736658 KJLMMRBCLKHEPD-UHFFFAOYSA-N 435.303 5.639 30 10 IKEE CC(C)(C)Cc1nnc(S)n1N=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 2321937283 PTQBXUZJUDENHN-UHFFFAOYSA-N 449.407 5.923 30 10 IKEE CCCCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1c(F)cccc1Cl)C3=O 2322083262 UQPSNZUWIPQWAL-UHFFFAOYSA-N 429.919 6.136 30 10 IKEE Sc1nnc(CCCOc2ccccc2Cl)n1N=Cc1c(Cl)cccc1Cl 2322234849 KOOJWMNVXLHEFV-UHFFFAOYSA-N 441.771 5.421 30 10 IKEE O=C1C(=Cc2cccc(F)c2)Oc2c1ccc1c2CN(C23CC4CC(CC(C4)C2)C3)CO1 2322238513 KNPHMCBRQPGDEV-UHFFFAOYSA-N 431.507 5.563 30 10 IKEE Cc1ccc(C=C2Oc3c(cc4c(c3C)OCN(CCc3ccc(F)cc3)C4)C2=O)cc1 2322286755 XSZTYGQAQZIVDM-UHFFFAOYSA-N 429.491 5.453 30 10 IKEE COc1ccccc1C=C1Oc2cc(OC(=O)c3ccc(C(C)(C)C)cc3)cc(C)c2C1=O 2322731482 HBXXSDMJNLCQCT-UHFFFAOYSA-N 442.511 6.137 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)c1OCc1ccccc1 2322842687 UBKUPDJPPKKEFX-UHFFFAOYSA-N 434.963 7.057 30 10 IKEE CCn1cc(C=C2Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc3C2=O)c2ccccc21 2323063393 SMXFOSASOSWKNA-UHFFFAOYSA-N 449.506 6.205 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OCc1nc(O)c2ccccc2n1 2323153145 BJVCSWLYXIHUGN-UHFFFAOYSA-N 426.472 5.128 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc(OC(=O)Cc3ccc(F)cc3)c2C)C1=O 2323228757 LHXFDFSRUHMCBU-UHFFFAOYSA-N 432.447 5.297 30 10 IKEE CCc1cc(O)nc(NN=Cc2ccc(OCc3ccc(C(C)(C)C)cc3)c(OC)c2)n1 2323231699 FHQRWNVCSGCMSZ-UHFFFAOYSA-N 434.540 5.076 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OCC(=O)N[C@H](C)c2ccccc2)c1 2323332026 LYJOIJVYAHKQIK-GOSISDBHSA-N 449.934 5.501 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OCc3c(F)cccc3Cl)c(OC)c2)c1 2323510865 VTAQKZYXZBWEQS-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE CCOc1cc(C=Nn2c(S)nnc2-c2ccccc2)cc(Cl)c1OCC(C)C 2323514500 DIQZTWASAHOEMZ-UHFFFAOYSA-N 430.961 5.203 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccc(OC)c(C)c2)cc1Cl 2323561409 NHWWBDSGZHQULA-UHFFFAOYSA-N 443.971 5.581 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3c(F)cccc3Cl)c(Cl)c2)cc1 2323628334 VAUYVQCLPJRCAR-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(C)cc2)C3=O)CC1 2323652917 RDWWRAORTHQGDK-UHFFFAOYSA-N 432.560 6.822 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2OC)o1 2323872725 MARBUXZOVWZEFW-UHFFFAOYSA-N 434.488 5.557 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OCC(=O)NCc1ccco1 2324077684 CWQZJPLQYGEZGV-UHFFFAOYSA-N 447.531 5.177 30 10 IKEE COc1ccccc1C=C1Oc2cc(O[C@H](C)C(=O)Nc3ccccc3Cl)ccc2C1=O 2324388694 NXFXRVCGGSFYES-OAHLLOKOSA-N 449.890 5.371 30 10 IKEE Cc1cc(C)c(COc2ccc3c(c2C)OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)cc1C 2324765377 OPRQFGXZYFRCHM-UHFFFAOYSA-N 440.583 7.413 30 10 IKEE COc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1 2324840871 OTGMPSVTJKMTFS-JOCHJYFZSA-N 440.524 5.870 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2c(c1C)OC(=Cc1ccccc1OCC)C2=O 2325198548 PWAJQCANUVIVCR-UHFFFAOYSA-N 437.536 5.037 30 10 IKEE COc1cccc(COc2cc(C)c3c(c2)OC(=Cc2ccc(Cl)c(Cl)c2)C3=O)c1 2325699837 OBLWUWFVVHVENW-UHFFFAOYSA-N 441.310 6.506 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4C)cc(C)c3C2=O)cc1 2325714483 CPXPUTMBABSZRD-UHFFFAOYSA-N 443.499 5.336 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc4cc(Cl)ccc4n3)c2)cc1 2325719686 QFIQVTHQOCORBV-UHFFFAOYSA-N 443.886 6.012 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1OC(=O)Cc1ccccc1Cl 2325727248 KJGBGJFMQVRNBZ-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OC(=O)c1ccc(OC(C)=O)cc1 2325737635 LNHFVIDIDVINOC-UHFFFAOYSA-N 430.456 5.044 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc1OC(=O)C(F)(F)F 2325763012 CKHUYWOCEUQKTQ-UHFFFAOYSA-N 428.790 5.029 30 10 IKEE CCCSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1ccc(Cl)cc1 2325969861 ZIITWMWLRSZAAH-UHFFFAOYSA-N 449.805 5.669 30 10 IKEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CC[C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C1 2326072199 IEAYMJAFEUFZJY-TVZXLZGTSA-N 442.600 5.088 30 10 IKEE CCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1cccc([N+](=O)[O-])c1 2326331524 DGPSELNWXGSZAT-UHFFFAOYSA-N 437.569 5.611 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1N=Cc1cccc(OCC)c1O 2326552328 WNUUBRRHTYGGNZ-UHFFFAOYSA-N 444.988 5.553 30 10 IKEE CCOc1ccccc1OCc1nnc(SC)n1N=Cc1c(OC)ccc2ccccc12 2326797824 OPFYDAMJFCFKEQ-UHFFFAOYSA-N 448.548 5.022 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2cccs2)n1N=Cc1sccc1C 2329636105 YYAPOZRUIGWSTD-UHFFFAOYSA-N 438.647 5.978 30 10 IKEE Clc1cccc(C=Nn2c(CCc3cccs3)nnc2SCc2ccccc2)c1 2329663617 IMPJIONXLANJJC-UHFFFAOYSA-N 439.009 5.953 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCCCO)n1N=Cc1ccc(Cl)c(Cl)c1 2330133785 NTOQRZVOJSXSRC-CQSZACIVSA-N 435.380 5.093 30 10 IKEE Oc1ccc(Cl)cc1C=Nn1c(Cc2cccs2)nnc1SCc1ccccc1 2330393006 MSGWRUHRHLABAX-UHFFFAOYSA-N 440.981 5.464 30 10 IKEE CCCC(=O)Oc1c(OCC)cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1[N+](=O)[O-] 2330692989 RMMOKAQKRGOKGD-UHFFFAOYSA-N 437.492 5.474 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)c1ccccc1F 2330906108 BZLMUHVZOVLUTD-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)C(C)C)c(Cl)c2)cc1OCCC 2331109604 CVTGHDDDEZQBTB-UHFFFAOYSA-N 444.955 6.375 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccco2)cc1 2331187630 MCTITFQASCYJAW-UHFFFAOYSA-N 449.492 5.020 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3ccccc3C)c(Cl)c2)cc1 2331266175 VHXLKTGEGIXFKB-UHFFFAOYSA-N 448.946 6.618 30 10 IKEE CCCSc1nnc(CCOC)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2331295747 ZROWFQSEGWPHFS-UHFFFAOYSA-N 444.988 5.084 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2ccccc2C)cc1 2331377007 VTRXZVSCEPEFGB-UHFFFAOYSA-N 435.597 5.059 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(Cl)cc2)c(Cl)c1)c1ccc2c(c1)OCO2 2331437712 FJGKATGTCPJSHL-UHFFFAOYSA-N 441.266 5.837 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1ccc(C)c(C)c1 2331510032 RDFOFUHGUHUWRQ-UHFFFAOYSA-N 428.528 6.551 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)cc(Br)c1OC(=O)C1CCC1 2331539628 YHUOVJBRORHDCE-UHFFFAOYSA-N 447.300 5.589 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OC(=O)Cc1ccc(Cl)cc1 2331569453 AWYGZJNCJIULFJ-UHFFFAOYSA-N 442.845 5.671 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cc(Cl)cc(C)c3OC)cc2)cc1 2331753539 HDKBMTYWPQVDBP-UHFFFAOYSA-N 434.919 6.335 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc(OC)c1OC(=O)CC(C)C 2331788274 OHZHNYWEJKMATR-UHFFFAOYSA-N 438.564 6.157 30 10 IKEE CCCCC(=O)Oc1c(OC)cc(C=CC(=O)c2ccc(OC)c(Cl)c2)cc1OC 2331818952 OJCPFKDGYCUXJP-UHFFFAOYSA-N 432.900 5.358 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)COCc2ccccc2)cc1 2331875086 JNNBYQQQQBBYNR-UHFFFAOYSA-N 436.891 5.367 30 10 IKEE N#Cc1nc(-c2cccs2)oc1NN=Cc1ccc(OCc2ccccc2Cl)cc1 2331938217 QSVZFPICVFQOKG-UHFFFAOYSA-N 434.908 5.953 30 10 IKEE N[C@H](C#Cc1ccnn1C1CC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2367756556 GCNDRIMZPVAFMT-HHHXNRCGSA-N 449.554 5.428 30 10 IKEE CN(Cc1ccccc1)S(=O)(=O)c1ccc(/N=C/c2ccc(Cl)cc2Cl)cc1 12493138 ALNLIRRQHXQTRN-ZVHZXABRSA-N 433.360 5.565 30 10 IKEE C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/CC(O)(CC)CC)C[C@@H](O)C[C@@H]1O 13652299 WHWKLKACDYYBGB-UFUMXLEGSA-N 442.684 6.261 30 10 IKEE CCCCOc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1cccs1)C2 20885112 ARJJYDSFMWYUBJ-MYUZEXMDSA-N 444.600 6.907 30 10 IKEE Clc1ccc(Cn2c(/C=N/C(c3ccccc3)c3ccccc3)nc3ccccc32)cc1 27498517 CWYUIMJMVFULBD-NDZAJKAJSA-N 435.958 6.947 30 10 IKEE O=C(C1=CN(c2cccc(C(F)(F)F)c2)c2ccccc2S1(=O)=O)c1ccccc1 32984136 MIYZWLIMIQPWSU-UHFFFAOYSA-N 429.419 5.355 30 10 IKEE COc1ccc(/C=C\C(=O)C23CC4CC(CC(C4)C2)C3)cc1COc1ccc([N+](=O)[O-])cc1 33662828 KLRRZGLETBWHLL-OQFOIZHKSA-N 447.531 5.981 30 10 IKEE C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 34265087 NVGWEOCSOMJZPE-DRUCTHHFSA-N 426.729 8.026 30 10 IKEE C=CCC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C1CC1 36316186 PAOMXKQFIAJPAW-OAQYLSRUSA-N 435.543 5.310 30 10 IKEE CCCCCCn1c(O)c(C(=O)c2oc3ccc(Cl)cc3c2C)c(C)c(C#N)c1=O 38627373 LLJFLCXFWAKQIY-UHFFFAOYSA-N 426.900 5.253 30 10 IKEE CCCCCn1c(O)c(/N=N/c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)c(C#N)c1=O 39871236 OVFPXPZVWPTZSF-OCOZRVBESA-N 437.378 5.267 30 10 IKEE Cc1cc(C)cc(C/N=C2/NC(=O)/C(=C\c3cc(C)n(-c4cc(C)cc(C)c4)c3C)S2)c1 59432574 IXBAABFMAYLEHK-AFUMVMLFSA-N 443.616 6.088 30 10 IKEE Brc1ccc(Br)c(/N=C2/N[C@H](Cc3ccccc3)CS2)c1 63220486 IVRCRGQYDGGMDZ-CYBMUJFWSA-N 426.177 5.147 30 10 IKEE CC/C(C)=N/Nc1nc2cc(C)c(NC(=O)c3ccccc3Br)c(C)c2s1 78397719 PNCYRPRRWJRQSU-WYMPLXKRSA-N 445.386 6.126 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 100353746 KERKURAQSTYQPD-WZOHSFFVSA-N 440.971 7.424 30 10 IKEE N#Cc1c(SCc2c(F)cccc2Cl)nsc1/C=C\Nc1ccc(Cl)cc1 100418404 GGWPWQVFBAQLNS-HJWRWDBZSA-N 436.364 6.836 30 10 IKEE Cc1c(/N=N/c2ccc(/N=N\c3ccccc3)cc2)c(O)n(Cc2cccnc2)c(=O)c1C#N 101146231 DXMQYACZDKPNCK-GILIAAGRSA-N 449.474 6.008 30 10 IKEE CCCCCCCCCCCCN1C(=O)[C@](O)(CC(C)=O)c2c(Cl)ccc(Cl)c21 101321591 LDZDIDYDIXTGCJ-QHCPKHFHSA-N 442.427 6.428 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]2c2ccccn2)c(C)c1 169996293 BNZHBISYSTYAGM-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccncc1)c1ccc(Cl)cc1 170026184 XMTURKXAXXUPDZ-LJQANCHMSA-N 447.903 5.128 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccccc2C)c1 170037605 RRDWWPLAAAVPTD-SANMLTNESA-N 441.527 5.496 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccccc2)c1 170047511 CDIAQELVAJAYOR-AREMUKBSSA-N 449.506 6.021 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccccc2)c1 170054798 GKWBTCONXUIHLB-QFIPXVFZSA-N 433.891 5.127 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccco2)c1 170089953 MIKJRGYTFADSFO-DEOSSOPVSA-N 431.488 5.170 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccc(C)o2)cc1 170101381 USMCZGJMYIKQTM-QHCPKHFHSA-N 431.488 5.386 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C2CCCC2)cc1 170117023 KOIZLUUQXJSHNI-XMMPIXPASA-N 427.500 5.369 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2cccnc2)cc1C 170187529 CGPCMZTWFNWFTJ-XMMPIXPASA-N 442.515 5.188 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2C)cc1C 170275526 RFIRZTYROOOZLY-VWLOTQADSA-N 447.575 6.003 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccco2)c1C 170286090 ODXSRCYVWNZMRE-NPMXOYFQSA-N 429.472 5.003 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccco2)cc1Cl 170288452 UFALBYMUHRPDMN-RCDICMHDSA-N 449.890 5.348 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3c(c2)CCCO3)=C(O)C(=O)N1C1CCCCC1 170317634 KECBONNUMYXLEZ-OAQYLSRUSA-N 437.561 5.293 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1F)c1ccco1 170381589 SVDJDFIWHVTDDD-GOSISDBHSA-N 432.234 5.508 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1CCc1ccc(Cl)cc1 170425198 RQRNHRVQCCPONN-SFHVURJKSA-N 443.977 5.592 30 10 IKEE Cc1nn(Cc2ccccc2)c(Cl)c1/C=C\C(=O)Nc1ccccc1SCCC#N 209930219 WFQBGTXKNOJGPC-SEYXRHQNSA-N 436.968 5.551 30 10 IKEE COc1cccc(/C=C2\SC(=Nc3ccc(C)c(C)c3)N(c3ccc(C)c(C)c3)C2=O)c1 252616346 JZTGGLKGODRTLO-IXQMQDOZSA-N 442.584 6.737 30 10 IKEE C=CCn1c(SCC(=O)Nc2cc(F)ccc2C)nnc1-c1ccc2ccccc2c1 253569476 MJDMLBHTMDBXJC-UHFFFAOYSA-N 432.524 5.463 30 10 IKEE COc1ccc(Nc2nc(NN=C/C=C\c3ccccc3)nc(Nc3ccccc3)n2)cc1 254515865 AROHLYUXTQFJPZ-ACKRUBRWSA-N 437.507 5.479 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccs2)cc1OC 526605505 QXUTZGCSEDZQQM-HSZRJFAPSA-N 446.528 5.474 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccccc2Cl)c1 526820322 ZYXFDCMOYJQYDY-YUMHPJSZSA-N 447.007 6.314 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1ccccc1C(F)(F)F 526823778 SOQREIMEIUNLGH-OPVMPGTRSA-N 445.297 6.087 30 10 IKEE C=CCN(CC=C)C(=O)Nc1cccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)c1 586653176 IKXJLXMQXQDFPL-UHFFFAOYSA-N 439.559 5.735 30 10 IKEE C=CCN(CC=C)C(=O)c1cccc(NC(=O)N(Cc2ccccc2)Cc2ccccc2)c1 586654560 XPJILUKDKYWCHI-UHFFFAOYSA-N 439.559 5.735 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c1 698470386 PYUSDOHYGQCOEN-XVIHEJCXSA-N 441.572 5.274 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@@](C)(C#N)Cc1ccc(Br)cc1 710734178 HNOLCQQZVCDABW-OAQYLSRUSA-N 433.321 5.855 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1ccc(Cl)cc1F 710756937 INGCVRFXBITLSV-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1cccc(I)c1 710809352 SEFNELXOPJACCY-SFHVURJKSA-N 448.304 5.606 30 10 IKEE C=CCC1([C@@H](N)c2ccc(Br)c(Cl)c2F)CN(C(=O)OC(C)(C)C)C1 722916966 ORXIBPDTADHKCS-HNNXBMFYSA-N 433.749 5.055 30 10 IKEE C[C@@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@]43C)[C@@H]1C/C(=C\c1ccc(Br)cc1)C2=O 1074740209 CTGFFXZZHKKDLF-UPNBFCPXSA-N 441.453 7.444 30 10 IKEE Cc1cc(NS(=O)(=O)c2ccc(N=Cc3cccc(OCc4ccccc4)c3)cc2)no1 1084071523 RHNXQBKZDJVTCT-UHFFFAOYSA-N 447.516 5.113 30 10 IKEE C=C1CC[C@@H](O)C/C1=C/[C@H](O)[C@]1(O)CCC[C@@]2(C)[C@H]([C@@H](C)/C=C/[C@@H](C)C(C)C)CC[C@H]21 1084293990 KXILCRGOVVVVRF-VLMIFINJSA-N 430.673 5.807 30 10 IKEE Cc1cccc(NC(=S)N/N=C\c2cn(-c3cccc(C)c3)nc2-c2ccccc2)c1 1857808518 BEJAAIYVKSYMPI-QQXSKIMKSA-N 425.561 5.477 30 10 IKEE CCN(CC)Cc1ccc(COC(=O)Nc2ncccc2OCc2ccc(C#N)cc2)cc1 1858705723 QLONTFGVNZUMPF-UHFFFAOYSA-N 444.535 5.123 30 10 IKEE N#Cc1c(Nc2cccc(-c3csc(-c4ccccc4Cl)n3)c2)ncc2c1CCCC2 1859862483 GSPUIXBQBVRJHI-UHFFFAOYSA-N 442.975 7.020 30 10 IKEE N#Cc1cccc(C(=O)Nc2cc(NC(=O)c3ccccc3C(F)(F)F)ccc2Cl)c1 1860458413 ZNXGBFVCEAOOBB-UHFFFAOYSA-N 443.812 5.735 30 10 IKEE CCCCCCCCNC(=O)[C@](C)(CC)NC(=O)c1cc(C)n(-c2cccc(Cl)c2)n1 1860940429 GKUXKPUWSPLZFR-DEOSSOPVSA-N 447.023 5.209 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc2cc[nH]c2c1 1862380812 LUIVOOLRNJEUNN-IBGZPJMESA-N 429.303 5.461 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2ccc(OCCC)cc2)cc1 1862397396 LHGJTEDDDTYHKH-CLOONOSVSA-N 449.591 6.195 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@H]2c2cccc3ccccc23)cc1 1862397827 TXNIEPMGGWWWQM-SANMLTNESA-N 441.571 6.561 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(O)cc2)cc1C 1862401323 YPRDAWMYKSRGLV-QHCPKHFHSA-N 435.520 5.010 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCc2cnc[nH]2)cc1 1862447349 NXWNBUHLDHBCAC-QFIPXVFZSA-N 449.938 5.008 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2Cc2ccccc2)cc1 1862456341 PKFANZMTYGZKQY-QFIPXVFZSA-N 437.417 5.191 30 10 IKEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(C)cc2)cc1 1862475238 HJNIRMNTLPPVRF-KBMIEXCESA-N 441.527 5.652 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2cccc(O)c2)c1 1862490311 SLOXWIZBERHPSG-QHCPKHFHSA-N 447.918 5.441 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(C(C)C)cc2)ccc1F 1862504363 SPVWXJNZXIKXFW-QHCPKHFHSA-N 449.547 6.098 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862509384 GXCPEUQKOXHGER-GAJHUEQPSA-N 439.527 5.690 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2cccc(Cl)c2)cc1 1862535265 CIHVPSSQCPWDPX-XDHUDOTRSA-N 445.946 6.242 30 10 IKEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(C(C)C)cc1 1862615411 JWPUKHIDHWFVKW-QHCPKHFHSA-N 435.564 5.332 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(F)cc1 1862615635 LJMYQLUNRVOUAK-CUHUQNRHSA-N 449.566 6.280 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccc(Cl)c1)c1cccc2ccccc12 1862651763 AERLMWFPQQWHQX-QHCPKHFHSA-N 443.886 5.865 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C(C)C)cc1 1862658011 MHXWFHRZMDWNEY-VWLOTQADSA-N 443.543 6.005 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCc3cnc[nH]3)[C@H]2c2ccccc2Cl)cc1 1862662275 WQCVVLGAHDXIRT-QFIPXVFZSA-N 449.938 5.008 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 1862665975 SLFBGSKESXCSPP-QHCPKHFHSA-N 448.519 5.629 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CC2)cc1OCC 1862672008 XIXWKWVWAJWQQW-XMMPIXPASA-N 449.547 5.348 30 10 IKEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(C)c2)cc1 1862674143 KFFRTNTUBUANPW-MZNJEOGPSA-N 445.490 5.482 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2cccc(C)c2)cc1 1862688499 YJNNYDJKJZRAHR-XMMPIXPASA-N 433.548 5.695 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2ccccc2Cl)cc1 1862688785 ASQPOCMDOFXNAI-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2ccc(Cl)cc2)c1 1862700336 FDZKWYIUVUHSAJ-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE Cc1c(Cl)cccc1NC1=C(c2ccc(Cl)cc2)C(=O)N(c2cccc(C#N)c2)C1=O 1862798812 RBVXLWSAZZLKBU-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C)c(C)c2)=C(c2ccccc2[N+](=O)[O-])C1=O 1863232182 FLYOCWZYGMIYGL-UHFFFAOYSA-N 449.551 5.764 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCOCCCC)=C(c2ccc(C)cc2)C1=O 1863621585 RUTAFOFWKDRXPK-UHFFFAOYSA-N 428.617 5.232 30 10 IKEE CCCCC1CCC(C(=O)Nc2c(C#N)nnn2-c2ccc(Cc3ccccc3)cc2)CC1 1870154287 PQOCESGBUHHADW-UHFFFAOYSA-N 441.579 5.665 30 10 IKEE CCCCCCCOc1cn(CCCOC(C)C)c(CN(C)Cc2ccccc2)cc1=O 1870411782 NGZGHULQHFCWRU-UHFFFAOYSA-N 442.644 5.645 30 10 IKEE CCCCCCCCn1cc(OCC(N)=O)c(=O)cc1CN(CCCC)CCCCCC 1870667587 GKXIIISTIUITFQ-UHFFFAOYSA-N 449.680 5.255 30 10 IKEE CCCCCCCOc1cn(C[C@H](C)O)c(CNc2ccc(C(F)(F)F)cc2)cc1=O 1870836857 YLPFEHVOSMNCQN-KRWDZBQOSA-N 440.506 5.209 30 10 IKEE CCCCCCCOc1cn(CCCCN2CCCC2)c(CNc2ccccc2)cc1=O 1870838705 PUWZMEMQNNNGCZ-UHFFFAOYSA-N 439.644 5.686 30 10 IKEE C=CCn1cc(OCCCCCC)c(=O)cc1CNc1ccc(N2CCC(C)CC2)cc1 1871124496 XKJNTUHXHNGCFP-UHFFFAOYSA-N 437.628 5.842 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(Cl)cc1)O3)CN(CCC1=CCCCC1)CO2 1871349529 QIKIRNASJGPNQC-UCQKPKSFSA-N 435.951 6.307 30 10 IKEE Cc1cc(OC(=O)CCCOc2ccccc2)cc2c1C(=O)/C(=C/c1ccc(Cl)cc1)O2 1871371006 GPUATQBHLMZWIM-HAHDFKILSA-N 448.902 6.029 30 10 IKEE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871382692 BPPJDZOGJZSJAC-CFRMEGHHSA-N 448.902 6.210 30 10 IKEE CCCCC(=O)Oc1cc(C)c2c(c1)O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O 1871385354 OLSLTORMPGMPOF-OCKHKDLRSA-N 428.868 5.227 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(CC)cc2)C3=O)cc1 1871389568 CHLYQUZYTCZLPT-XYGWBWBKSA-N 426.468 5.649 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OC(=O)CCc4cccs4)ccc3C2=O)c2ccccc21 1871391628 BCRIXFCAAZIWEJ-OYKKKHCWSA-N 443.524 5.877 30 10 IKEE CCCN(CCC)Cc1c(O)cc(C)c2c1O/C(=C\c1ccc(Cl)cc1Cl)C2=O 1871394138 GJWPBRAWKVHXIW-JAIQZWGSSA-N 434.363 6.246 30 10 IKEE Cc1cc(OCCc2ccccc2)cc2c1C(=O)/C(=C/c1ccccc1Br)O2 1871400111 ILYFOEWNXFWVQG-HMAPJEAMSA-N 435.317 5.995 30 10 IKEE Cc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 1871408213 BFZLNRIGIUNWLD-HBNOILHASA-N 425.484 5.573 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2OC)C3=O)cc1 1871412418 ZJYRIPJJMBWWLT-WZJLVRHISA-N 443.499 5.280 30 10 IKEE Cc1c(OCc2ccc(C(=O)OC(C)C)cc2)ccc2c1O/C(=C\c1cccc(F)c1)C2=O 1871414832 PQVQZXCRMOGYIY-OYKKKHCWSA-N 446.474 5.895 30 10 IKEE CC(C)c1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 1871435404 JYKKFEQRFMPYBR-CFRMEGHHSA-N 431.463 5.583 30 10 IKEE C[C@@H](Oc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O)C(=O)Nc1ccc(C#N)cc1 1871435966 IDKKLDDKDDFHLC-HQXWYHRWSA-N 444.874 5.234 30 10 IKEE C=CCN=c1nc(Nc2ccc(Oc3ccccc3)cc2)[nH]c(N(CCC)CCCC)n1 1871508544 GZVFPSVRJMDHBF-UHFFFAOYSA-N 432.572 5.444 30 10 IKEE C=CCN([C@@H](C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)[C@@H](C)CC)S(=O)(=O)CCC 1872338116 HWASUFXXGWWWMG-WMZHIEFXSA-N 436.662 5.514 30 10 IKEE CC(C)c1ccccc1O[C@@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc3ccccc3c2)cs1 1872760075 GTRUQVYXXMCDHE-MBSDFSHPSA-N 440.568 6.730 30 10 IKEE COc1cccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccc4ccccc4c3)n2)c1 1872762708 USTWSGUNPAONLX-HSZRJFAPSA-N 442.540 6.007 30 10 IKEE CCCCCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3cc(C)ccc3C)cs2)cc1 1872772340 NFSNFTIQIRAHLV-QHCPKHFHSA-N 432.589 6.876 30 10 IKEE CCc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 1872773685 VAMMFFAHSCQQKP-FQEVSTJZSA-N 448.544 5.179 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@@H](C#N)C(=O)c2ccc(-n3cccc3)cc2)n1 1872789092 XYMYRHKCIRGIKR-IBGZPJMESA-N 433.920 5.753 30 10 IKEE Cc1nc(SCc2ccc(C(=O)Nc3cccc(N(C)C)c3)cc2)c(C#N)c(C)c1C 1872895452 VDFVRNCJVSBJLX-UHFFFAOYSA-N 430.577 5.489 30 10 IKEE CCCCCCCCNC1=C(c2cccc(Br)c2)C(=O)N(C2CCCC2)C1=O 1873055205 WTCNNJZICUFRFY-UHFFFAOYSA-N 447.417 5.422 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H](CC)CCCCC)=C(c2ccc(F)c(C)c2)C1=O 1873153329 WOULNVJWAKEQOU-QFIPXVFZSA-N 444.635 6.523 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(OCC)cc2)cc2c(NCCC3=CCCCC3)ncnc21 1873639293 KNTRESZVLWNCLT-UHFFFAOYSA-N 445.567 5.571 30 10 IKEE CCCCCCCCNC(=O)[C@H]1c2ccccc2C(=O)N(C[C@@H]2CCCO2)C12CCCC2 1873885993 CBFQTCCUOHMYPC-XUZZJYLKSA-N 440.628 5.195 30 10 IKEE CSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccccc1OC(C)C 1874229555 QCHWNVSRRFIPSB-FSJBWODESA-N 430.961 5.210 30 10 IKEE C(=N/n1c(Cc2cccc3ccccc23)nnc1SCc1ccccc1)\c1cccs1 1874269661 IHGBMTGKFXSEKU-YZSQISJMSA-N 440.597 6.258 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CCOc3ccccc3)nnc2SCCC)cc1 1874346907 LZNYMHDUDGSUMG-NCELDCMTSA-N 438.597 5.463 30 10 IKEE COc1cccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCCc2ccccc2)c1 1874380812 MCTTYIMOSZVZEC-OVVQPSECSA-N 446.551 5.234 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2)n1/N=C/c1ccc(OCCCCC)cc1 1874402846 LTNLHXIJNGMENT-ZXVVBBHZSA-N 448.636 6.183 30 10 IKEE COc1cccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccccc2F)c1 1874407647 IICHFORWJYNUOY-WGOQTCKBSA-N 438.572 5.723 30 10 IKEE Cc1cccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccc(Cl)cc2)c1 1874419005 SMOCEPIBCVKEIN-WGOQTCKBSA-N 432.980 6.005 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3ccccc3C)nnc2-c2cccs2)c1 1874421121 WGTDRVVRRVBQEA-PCLIKHOPSA-N 448.617 6.278 30 10 IKEE Cc1cccc(CSc2nnc([C@H]3CCCO3)n2/N=C/c2cccc3ccccc23)c1 1874448122 UKYAIXHZVMDJHX-VUEBRRCKSA-N 428.561 5.766 30 10 IKEE COC(=O)c1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C(C)(C)C)cc1 1874485093 DTLJPQCUYBIFLB-ZMOGYAJESA-N 442.972 5.190 30 10 IKEE Clc1cccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CCC2)c1 1874496767 CWBOUCPLEHYIMZ-CVKSISIWSA-N 432.980 6.527 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1cc(C)ccc1O 1874511299 SCCDYGHJVVIKDB-FOKLQQMPSA-N 435.380 5.726 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2C(C)C)cc1 1874511824 CFTWXBWDMRPCRC-MFKUBSTISA-N 425.577 5.561 30 10 IKEE CC(C)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874512027 HYJKHSHFQSWABL-ZVHZXABRSA-N 437.569 5.782 30 10 IKEE CCCOc1c(/C=N/n2c(SCc3cccc(C)c3)nnc2C(C)C)cccc1OC 1874512244 NXJGAUBTDOVEJX-MFKUBSTISA-N 438.597 5.682 30 10 IKEE Fc1ccc(CSc2nnc(C3CC3)n2/N=C/c2ccc(Br)cc2)cc1 1874517774 KRTYIDVSTCTHLA-SSDVNMTOSA-N 431.334 5.232 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(S)nnc1CC12CC3CC(CC(C3)C1)C2 1874567041 BIJNEQOZIUUQPE-CVKSISIWSA-N 432.593 5.370 30 10 IKEE CCCN(CCC)C(=O)COc1ccccc1/C=C/C(=O)c1ccc(Cl)cc1Cl 1874573305 GYQPDJLLXNBTFX-FMIVXFBMSA-N 434.363 5.917 30 10 IKEE Cc1ccc(C(=O)/C=C/c2c(OCC(=O)Nc3ccccc3C)ccc3ccccc23)c(C)c1 1874578731 DIXPCJXMJGVURF-FOCLMDBBSA-N 449.550 6.679 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)c1OCc1ccc(Cl)cc1 1874582025 SAMRVKYATDNCBV-YRNVUSSQSA-N 436.891 5.595 30 10 IKEE C=CCOc1c(/C=C/C(=O)c2ccc(OCCCCCCC)cc2)cc(Cl)cc1OC 1874584396 MLFVFGQJJGLUJC-NTCAYCPXSA-N 442.983 7.159 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2cc(C)cc(C)c2)c(C)c1C 1874586584 USCSKIXYIYUJRX-ZRDIBKRKSA-N 443.543 5.842 30 10 IKEE CCCNC(=O)COc1cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)ccc1OC 1874598382 JPLXXQDLZVORAM-OQLLNIDSSA-N 445.515 5.289 30 10 IKEE C=C(C)COc1c(Br)cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 1874610411 RFANPXLHFXIWLE-RUDMXATFSA-N 432.270 5.217 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)cc1 1874615304 QJWHAJDYVIMAGX-OQLLNIDSSA-N 431.488 5.008 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OCc3c(F)cccc3Cl)c(Cl)c2)ccc1F 1874618637 LIGBWTJHUSQILQ-WEVVVXLNSA-N 433.281 7.055 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1ccc2c(c1)OCO2 1874621249 PXVWAKLHWBWCSZ-FPYGCLRLSA-N 437.835 5.452 30 10 IKEE C=CCOc1c(OCC)cc(/C=C/C(=O)c2ccc(OCC)cc2OCC)cc1[N+](=O)[O-] 1874632236 RTCBRLOTQPNJLY-FMIVXFBMSA-N 441.480 5.252 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)cc1Cl 1874636357 XFBFVQGCIPYVPJ-KPKJPENVSA-N 449.934 5.879 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1OC(=O)[C@@H](C)c1ccccc1 1874692821 ZAWGDNIFPXVTQI-GRFAERAESA-N 436.507 6.454 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3cc(Cl)ccc3Cl)c2)cc1 1874694466 DSBGFAMZNLKMFZ-MDWZMJQESA-N 439.338 6.600 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc(CC)cc3)c2)c1 1874712665 ZZDDXAIXEWKKND-FOWTUZBSSA-N 444.527 6.162 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc4ccccc4c3)cc2)cc1 1875094745 HIBZBAYTXBUFKI-WOJGMQOQSA-N 436.507 6.283 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1ccc(C)c(C)c1 1875095842 KFHNYAURTKJPOG-NTEUORMPSA-N 436.507 6.581 30 10 IKEE Cn1c(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4ccccc4c3)cc2)cc2ccccc21 1875096231 COAHZCGUYZPPOV-SFQUDFHCSA-N 431.491 6.447 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cc(C)ccc3C)c(Cl)c2)cc1 1875099970 IDVGRTANDFCOCU-UKTHLTGXSA-N 432.947 6.563 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)c(C)c3)c([N+](=O)[O-])c2)c1 1875101894 GTCLCJQEISSHIU-PKNBQFBNSA-N 445.471 5.264 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3Cl)cc2)c(OC)c1 1875111594 LZSLDYMSAITSBG-NTEUORMPSA-N 436.891 5.401 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 1875113441 HTQQQIMWFMQUIY-CSKARUKUSA-N 442.254 6.017 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)[C@@H](C)c1ccccc1 1875118447 WWAPJJIQLQJUES-AAKUMTKESA-N 431.444 5.209 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)Cc1ccccc1 1875122224 IXAYWCXKQQMGTL-JLHYYAGUSA-N 448.465 5.746 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1[N+](=O)[O-] 1875124762 AORHDLMEQIHIDC-IZZDOVSWSA-N 437.398 5.307 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)COc1ccc(C)cc1C 1875127799 YOOOKZHSISIAPE-VAWYXSNFSA-N 446.499 5.201 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(C)cc3C)c([N+](=O)[O-])c2)cc1 1875136145 ZOIDYIUVLJWOFZ-YRNVUSSQSA-N 445.471 5.401 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)COc3c(C)ccc(C)c3C)cc2)ccc1F 1875141263 VLYUKAYOFTTXAD-NTEUORMPSA-N 432.491 5.940 30 10 IKEE CCCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OCC 1875142516 HEMSRNDPQJIORC-JXMROGBWSA-N 449.316 5.897 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)CCCSC 1875142605 KYPAJVHJEIHSCT-FMIVXFBMSA-N 442.552 5.816 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Br)c1OC(=O)C1CCC1 1875159023 YHUOVJBRORHDCE-IZZDOVSWSA-N 447.300 5.589 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)CCc1ccc(Cl)cc1 1875159315 MUEKYRXUEJVYFN-YIXHJXPBSA-N 438.882 5.922 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(F)c3)cc2Cl)cc1C 1875162150 YTRJKOIGMNFRHP-RUDMXATFSA-N 426.846 6.350 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2ccc(OC(=O)C3CCC3)c(Cl)c2)cc1Cl 1875174192 FDYWQBMMTWHQSX-SOFGYWHQSA-N 435.303 5.612 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)c(C)c1 1876846065 MXGBRPJHFSCMLC-RBUKOAKNSA-N 425.411 5.658 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 1922112888 OXXQKMMWPIKFPI-IEZKXTBUSA-N 438.612 5.640 30 10 IKEE C=CCC1([C@@H](NCCC)c2scc(Br)c2C)CN(C(=O)OC(C)(C)C)C1 1923039836 SMBCSOGEPMFZPJ-KRWDZBQOSA-N 443.451 5.673 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1C[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1(C)C 1953337651 YBFMOADHUPFGIU-CLOONOSVSA-N 443.588 5.257 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@@]1(C#N)CCCC[C@@H]1OCc1ccccc1 1998813185 GEGLDWPPSBBGJO-WIOPSUGQSA-N 440.971 6.503 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@](C)(C#N)[C@]1(C)CCN1C(=O)OC(C)(C)C 1999898209 SLTVJYDUCLLWIG-XZOQPEGZSA-N 433.524 5.249 30 10 IKEE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)C1=CC[C@@H](C(C)(C)C)CC1 2010741438 APZNKOZMWFRKQB-FGZHOGPDSA-N 428.617 5.353 30 10 IKEE C=CCCCCCCCCC[C@H](N)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2026310396 PJWZLDLYIDCERP-BJKOFHAPSA-N 432.649 6.121 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]1CCCCN1C(=O)OC(C)(C)C 2032406649 UGVVJCSGDIVSQJ-PKOBYXMFSA-N 445.560 5.118 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(Cc2ccccc2)[C@@H](C)C1 2037526896 LDNMMLRGXVVZRK-FNZWTVRRSA-N 435.568 5.384 30 10 IKEE C=C1CCC(C[C@H](NC)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)CC1 2041894867 WNVZJPBAKCYSEX-IGKIAQTJSA-N 442.644 5.555 30 10 IKEE CCOC(=O)c1c(C(C)C)nn(Cc2ccc(C(F)(F)F)c(F)c2)c1C(F)(F)F 2079076435 BRHPZTLGDDYLCG-UHFFFAOYSA-N 426.332 5.408 30 10 IKEE CC(C)(C)c1nn([C@@H](c2ccc(C(F)(F)F)cc2)C(C)(C)C)c(Br)c1C#N 2079895134 OXUWJJLAHARBFV-INIZCTEOSA-N 442.323 6.469 30 10 IKEE C=CCCCCCCCC[C@@H](N)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2086258937 JNJZSHDTRZFASC-SQHAQQRYSA-N 443.676 5.790 30 10 IKEE C=CCN(CC[C@H](NCC)c1cc(C)cc(Br)c1F)C(=O)OC(C)(C)C 2099286897 DHBRPGMEXJXHMH-KRWDZBQOSA-N 429.374 5.360 30 10 IKEE CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1Nc1ccc(C#N)cc1Br 2149851841 KGUISNVFWSCYNY-AEFFLSMTSA-N 436.394 5.404 30 10 IKEE N#Cc1ccc(NC(=O)C2CC3(CC(OCc4ccccc4)C3)C2)c(Br)c1 2160248373 NWXCLNYRFCJXJN-UHFFFAOYSA-N 425.326 5.035 30 10 IKEE CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)C1=CCC(F)(F)CC1 2163616766 FNFUIXZLXWDSLL-MRXNPFEDSA-N 444.316 5.200 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc2c1CN(c1ccc(C#N)cc1Br)CC2 2174815775 XATRMJRZDAJVTO-UHFFFAOYSA-N 428.330 5.230 30 10 IKEE C=CC1(C[C@H](NCCC)c2ccc(Br)cc2I)CCC1 2207271780 LFOBLQDRPMEZEB-INIZCTEOSA-N 448.186 5.841 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2cc(Br)cc(F)c2C#N)CCC12CCC2 2233909294 WYOMUNKSAHNRQY-AWEZNQCLSA-N 438.341 5.194 30 10 IKEE C/C=C/C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C#Cc1ccccc1Br)NCCC 2235747034 MXHSOYMTEGJPAU-IKGYGIMUSA-N 435.406 5.028 30 10 IKEE CCCCCC#CCC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237416995 IHDNJHJRDOYQHR-IBGZPJMESA-N 436.390 5.428 30 10 IKEE C=C1C[C@H]1C[C@H](NCCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237466945 XAMHJFFNSAXSCM-IHPCNDPISA-N 437.422 5.219 30 10 IKEE CC1(C)OB(C2=CCC[C@@H]2NC(=O)OCC2c3ccccc3-c3ccccc32)OC1(C)C 2241554238 AIAJDUGSKIGRMF-QHCPKHFHSA-N 431.341 5.245 30 10 IKEE Cc1cc(C(=O)N(Cc2ccccc2)C2CCCCC2)c(B2OC(C)(C)C(C)(C)O2)s1 2255637631 HVHRUONTCRCPSF-UHFFFAOYSA-N 439.430 5.331 30 10 IKEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21 2261832684 QVXDIXFORIOKSB-AGBXIKQOSA-N 436.548 5.005 30 10 IKEE CCOc1cc(C=C2Sc3ccccc3C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 2294516915 RHNBRQVHDQNTMP-UHFFFAOYSA-N 433.485 5.902 30 10 IKEE COc1ccccc1C=CC(=O)c1cc(Br)ccc1OC(=O)c1ccco1 2296775175 VWINSIBMLLVGIS-UHFFFAOYSA-N 427.250 5.166 30 10 IKEE Cc1ccc(N=C2SC(=Cc3ccc4c(c3)OCO4)C(=O)N2c2ccc(C)cc2)cc1 2297455886 QEPHNXKTLMAJFR-UHFFFAOYSA-N 428.513 5.841 30 10 IKEE Cc1ccccc1N=C1SC(=Cc2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1C 2313518536 HZXTURABEAAKGO-UHFFFAOYSA-N 429.501 6.020 30 10 IKEE O=C1C(=Cc2ccccc2Cl)SC(=Nc2ccncc2Cl)N1C1CCCCC1 2314542034 GOYMNFIXCNGXSX-UHFFFAOYSA-N 432.376 6.325 30 10 IKEE CN[C@@H](C#C[C@H]1CC1(F)F)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2318518973 NIHIFAYOTBRABH-ZEQRLZLVSA-N 433.498 5.764 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1cc(Cl)c(O)c(Cl)c1 2318575009 XZIFNBHIBUJIJB-UHFFFAOYSA-N 449.407 6.034 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(C(C)(C)C)cc1 2321020480 GBIWBEQGWWGGMI-UHFFFAOYSA-N 447.435 6.619 30 10 IKEE CC[C@H](C)N1COc2c(cc3c(c2C)OC(=Cc2cc(Cl)cc4c2OCOC4)C3=O)C1 2322371191 RGTQRFAWFZDACT-ZDUSSCGKSA-N 441.911 5.082 30 10 IKEE COc1cccc(C=CC(=O)c2cccc3ccccc23)c1OCc1cccc(Cl)c1 2322724818 WVOUTNGBZOCTJP-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE COc1ccccc1C=C1Oc2cc(OC(=O)c3ccc(C(F)(F)F)cc3)ccc2C1=O 2323347794 IFPRJHJLZNVJGL-UHFFFAOYSA-N 440.373 5.549 30 10 IKEE COc1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2F)C3=O)cc1 2323423657 SUMDVYKXZFPLSL-UHFFFAOYSA-N 430.431 5.378 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3cc(C)ccc3C)c(OC)c2)cc1OC 2323460801 NOBGRWFVWXMPBD-UHFFFAOYSA-N 432.516 5.804 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)ccc1OCc1c(F)cccc1Cl 2323481414 SBCZDUWPILHWTA-UHFFFAOYSA-N 438.926 6.915 30 10 IKEE Cn1cc(C=C2Oc3cc(OC(=O)C=Cc4cccs4)ccc3C2=O)c2ccccc21 2323520886 QTSZJBZATMPFNS-UHFFFAOYSA-N 427.481 5.475 30 10 IKEE Cc1c(OC(=O)C=Cc2cccs2)ccc2c1OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2323530452 JJLUOMNDXIUDHX-UHFFFAOYSA-N 433.441 5.200 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccc(F)cc1 2323532463 BZYZYESYKYYCJB-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3F)c(OCC)c2)cc1 2323554743 ALVJOSJVYRPCJH-UHFFFAOYSA-N 432.535 7.042 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)cc(OC)c1OCC(=O)OCC(C)C 2324129511 QGLCFBOIOQVSBY-UHFFFAOYSA-N 448.515 5.331 30 10 IKEE Cc1c(O[C@@H](C)C(=O)OC(C)C)ccc2c1OC(=Cc1cccc(Br)c1)C2=O 2324305511 XDVZVADCVAUGJR-AWEZNQCLSA-N 445.309 5.093 30 10 IKEE CCc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccccc4OC)ccc3C2=O)cc1 2324472514 RRFFQIKOOYULJO-QGZVFWFLSA-N 443.499 5.280 30 10 IKEE O=C1C(=Cc2ccccc2F)Oc2cc(OCCOc3cccc4ccccc34)ccc21 2324693748 PZFVYBUBZCNFHB-UHFFFAOYSA-N 426.443 6.053 30 10 IKEE CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2F)C3=O)c1 2324825718 PLRJCEHZHUGLGE-INIZCTEOSA-N 445.446 5.051 30 10 IKEE CCc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2cccc(F)c2)cc1 2325443965 LCLWCQIJBOEQDN-UHFFFAOYSA-N 444.579 5.939 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1OC(=O)CC1CCCCC1 2325736552 HNFGRIDHKUQCNF-UHFFFAOYSA-N 447.358 6.774 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OC(=O)c1ccc(OC(C)=O)cc1 2325741227 DRSCPDXVPRFREZ-UHFFFAOYSA-N 448.446 5.183 30 10 IKEE CSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1N=Cc1cc(C)ccc1O 2325838812 RCLWVSLQBIRSLY-UHFFFAOYSA-N 438.597 5.205 30 10 IKEE CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1sccc1C 2325904181 PBQFLVIYUUKLON-UHFFFAOYSA-N 428.627 5.827 30 10 IKEE CCCSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1ccc(CC)cc1 2325965236 QMXBZTCWTDFKAK-UHFFFAOYSA-N 443.414 5.578 30 10 IKEE CCOc1cc(C=Nn2cnnc2SCc2ccc(C)cc2)cc(Cl)c1OCC 2326287330 XBZKCGMZVDVMFY-UHFFFAOYSA-N 430.961 5.212 30 10 IKEE CCOc1cc(C=Nn2c(CC)nnc2SCc2ccc(C)cc2C)cc(Cl)c1O 2326442462 BSAWGNIFQMIURC-UHFFFAOYSA-N 444.988 5.390 30 10 IKEE CCc1nnc(SCc2ccccc2Cl)n1N=Cc1cc(Cl)c(O)c(Cl)c1 2326546527 ZFVSTVTZWOMEPT-UHFFFAOYSA-N 441.771 5.681 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1N=Cc1cccc(OCC(C)C)c1 2326552227 NZTBMZQUDYOFHF-UHFFFAOYSA-N 443.016 6.093 30 10 IKEE CCSc1nnc(CCCOc2ccccc2)n1N=Cc1ccc(Cl)cc1Cl 2328730350 VUWRWJUUWRZXPL-UHFFFAOYSA-N 435.380 5.591 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1cccc2ccccc12 2328790111 XXNJFBWBMWVZBA-UHFFFAOYSA-N 442.588 6.178 30 10 IKEE C=CCSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(Br)cc1 2329591352 NVKCCWJVKOPIHE-UHFFFAOYSA-N 433.762 5.521 30 10 IKEE Cc1cccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCc2cccc(F)c2)c1 2329819040 VSSNIXNUMYQBQP-UHFFFAOYSA-N 434.515 5.630 30 10 IKEE Clc1ccccc1CSc1nnc(COc2ccccc2)n1N=Cc1ccccc1 2329919504 YSEWBVXLOCYJKZ-UHFFFAOYSA-N 434.952 5.685 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2OC)c1 2330648975 BUHWKCCHFSZUIR-UHFFFAOYSA-N 447.443 5.117 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc4ccccc4c3)cc2Cl)cc1 2330659030 IJADQUBYDVJVHX-UHFFFAOYSA-N 440.926 6.846 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2ccccc2F)nnc1-c1ccccc1 2330671310 XRZOXSNHOQKVCB-UHFFFAOYSA-N 446.551 6.048 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3)c(OCC)c2)cc1 2330842538 ZEOUBVIFSMABDD-UHFFFAOYSA-N 428.528 6.543 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2cccc(Br)c2)cc1OC 2330993531 WHOCYJRVPUQXOO-UHFFFAOYSA-N 437.717 5.713 30 10 IKEE Cc1ccccc1CCC(=O)Oc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] 2331129137 RVOBNAZDAYZYOY-UHFFFAOYSA-N 449.890 5.991 30 10 IKEE CC(C)Cc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(Br)cc1 2331443438 MZSCDMNEGKURQZ-UHFFFAOYSA-N 447.377 5.553 30 10 IKEE Cc1cc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2)cc(C)c1Cl 2331512970 SMBZLPYBQHDNAW-UHFFFAOYSA-N 438.882 5.976 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)c(C)c3)cc2)cc1C(C)C 2331571754 IUTGAGGMCHDNOQ-UHFFFAOYSA-N 442.555 6.859 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3C)c(Br)c2)cc1C 2331706839 JOYIVTDMMSNGCG-UHFFFAOYSA-N 449.344 6.490 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Br)c1OC(=O)C(C)C 2331708680 JSJYKDIBYRMYHZ-UHFFFAOYSA-N 431.326 5.532 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)cc2)c(C)c1 2331764458 UJNJQSJPVQRLOA-RPWUZVMVSA-N 444.958 6.870 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(Oc2ccc(NC(=O)OC(C)(C)C)cc2C)n1 2337046086 NEUSSPVRSNGOLU-UHFFFAOYSA-N 440.349 5.137 30 10 IKEE CC1(C)OB(C=Cc2ccc(Oc3ccc(OCc4ccccc4)cc3)nc2)OC1(C)C 2339589286 VNCGDSVMUBDRTE-UHFFFAOYSA-N 429.325 6.098 30 10 IKEE Cc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(OCc4cccc(C(=O)O)c4)cc3)S2)cc1 4473835 VSWBBTXZCYJFAC-HYARGMPZSA-N 444.512 5.164 30 10 IKEE C=CCn1c(S[C@@H](C)C(=O)c2ccccc2)nc2scc(-c3ccccc3)c2c1=O 9041528 KZEBMQCXZPTZES-INIZCTEOSA-N 432.570 5.675 30 10 IKEE COc1ccc(-c2nc3n(n2)[C@@H](c2ccccc2Cl)C2=C(CC(C)(C)CC2=O)N3)cc1 9731749 PICFJCZRKKWVTR-NRFANRHFSA-N 434.927 5.265 30 10 IKEE COc1cccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(Oc3ccccc3)c2)c1 21240103 IAEFKCPXLRUXBZ-HYBUGGRVSA-N 439.511 5.492 30 10 IKEE CCOc1ccc(-c2nc3cc(/N=C/c4cc([N+](=O)[O-])cc(OC)c4O)ccc3o2)cc1 27470490 UHYIBWFHKGPWIQ-ZMOGYAJESA-N 433.420 5.267 30 10 IKEE O=C1/C(=C/c2cccc(Cl)c2)Oc2cc(OCc3c(Cl)cccc3Cl)ccc21 33513958 GFSZNHRMEXLRKD-FBHDLOMBSA-N 431.702 6.842 30 10 IKEE COC(=O)c1ccc(COc2ccc3c(c2)O/C(=C/C=C\c2ccccc2OC)C3=O)cc1 33749853 CMKMKZRPKTWFRS-RDSYMRRHSA-N 442.467 5.233 30 10 IKEE CCOc1ccc(/C=C/C(=O)c2ccc(OC(=O)c3c(OC)cccc3OC)cc2)cc1 34954333 NZBFPUMJQHEHNR-LICLKQGHSA-N 432.472 5.218 30 10 IKEE COc1cc([C@H]2c3sc(O)nc3SC[C@H]2C=O)ccc1OCc1cccc(Cl)c1 35531337 VNUPFPYZJDDZSF-RDTXWAMCSA-N 447.965 5.142 30 10 IKEE N#Cc1nc(COc2ccc(Cl)cc2Cl)oc1N1CCC(Cc2ccccc2)CC1 39841578 GUWPHFDCPMRVKO-UHFFFAOYSA-N 442.346 5.891 30 10 IKEE COc1ccc(/C(C)=C2\S/C(=N/c3cccnc3Cl)N(C3CCCCC3)C2=O)cc1 39864167 LLSDHUIQYLUZRT-PKPRBZMYSA-N 441.984 6.070 30 10 IKEE C=CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(F)cc2)c1 39872799 XQMFEXTUBRASFI-QHCPKHFHSA-N 427.431 5.247 30 10 IKEE C=CCN1C(=O)c2[nH]nc(-c3cc(Cl)c(C)cc3O)c2[C@@H]1c1ccc(C(C)(C)C)cc1 39914506 XLADBYTYGAIZJY-QHCPKHFHSA-N 435.955 5.773 30 10 IKEE C[C@H]1CCc2c(C#N)c(NC(=O)COc3ccc(-c4ccccc4)cc3)sc(=S)c2C1 41014711 FKZONAZYWYADHR-INIZCTEOSA-N 446.597 6.159 30 10 IKEE C=C(C)COc1ccccc1NC(=O)CNc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1 66109105 VXKGLHQOBBEKNV-FQEVSTJZSA-N 443.547 5.183 30 10 IKEE C[C@@H](CCC[C@@H](C)C(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 97974121 QOEPZHFZXUROGV-WBSDGMSVSA-N 430.629 5.632 30 10 IKEE CCCCCCCOc1cccc(NC(=O)CNc2cccc(OCCCCCC)c2)c1 100082556 MNUVUHBEFAGUHU-UHFFFAOYSA-N 440.628 7.046 30 10 IKEE CC1(C)CC(=O)C([C@@H](C2=C(O)CC(C)(C)CC2=O)c2ccccc2C(F)(F)F)C(=O)C1 100134577 QGDIRBPFEOWIRU-IBGZPJMESA-N 436.470 5.565 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2)S/C(=N/c2ccncc2Cl)N1c1ccccc1 101127676 HNRZZLRWVJYIAB-AVIKPBSTSA-N 426.328 6.197 30 10 IKEE CCCCCCCCCn1c([C@H]2CC(=O)N(c3cc(C)ccc3C)C2)nc2ccccc21 102200983 UXPLZDUQVFMCSW-QHCPKHFHSA-N 431.624 6.924 30 10 IKEE COc1ccc(C(=O)/C=C\Nc2ccccc2N/C=C/C(=O)c2ccc(OC)cc2)cc1 110338451 DJMPUYATBAVWMB-JRDMOELTSA-N 428.488 5.321 30 10 IKEE N#C[C@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccc(F)cc1F 111030996 PVZCUCQJAVXKMW-SFHVURJKSA-N 443.793 5.313 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(OCc3ccc(C)cc3)cc2)NC(=S)N1 169937913 ZRIUXARHDLYUSL-DEOSSOPVSA-N 428.557 5.250 30 10 IKEE Cc1cccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccc(N(C)C)cc2)c1 169967010 BRCJPSJFMPUNFE-SANMLTNESA-N 440.543 5.163 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccccc1 170048338 GSKMDGGPVRMFRH-DEOSSOPVSA-N 427.500 5.091 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2ccccc2)c1 170054761 KUHMCTNQAQXTKA-XMMPIXPASA-N 427.500 5.091 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@@H]2c2ccco2)c(C)c1 170092423 GCBBTLGZSDRSHH-HXUWFJFHSA-N 441.842 5.172 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(O)cc2)c1 170131565 FCBBKJGEMHIAEX-QHCPKHFHSA-N 447.462 5.101 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc(OCC(C)C)c3)=C(O)C(=O)N2c2ccccc2)c1 170141580 KUFJITQXPMAASW-RUZDIDTESA-N 441.527 5.813 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2Cc2ccncc2)c1 170145007 GKNQCOWBKNIPNC-RUZDIDTESA-N 434.495 5.322 30 10 IKEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(C(C)(C)C)cc1 170149519 MNEOYXCVTWXGNK-DEOSSOPVSA-N 447.575 5.088 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cccc(OC(C)C)c1 170153448 IWBFFHOXYBEGFR-DEOSSOPVSA-N 433.548 5.341 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1cccc(OC(C)C)c1 170153563 PTTRUKPYUIDUMY-HSZRJFAPSA-N 437.536 5.249 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2cccnc2)c1 170185290 UNUCDUYDJGOBNU-XMMPIXPASA-N 442.515 5.269 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccccc1)c1cccc2ccccc12 170226854 HYSOVESAGJXZAW-DEOSSOPVSA-N 439.898 6.276 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccccc2)c1 170227877 GINJAYKBMVIQCQ-VWLOTQADSA-N 435.479 5.637 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2C2CCCCC2)cc1 170266597 JEOPQOXUYWMQJV-QFIPXVFZSA-N 434.492 5.068 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2C)cc1C 170272238 NJPALYUEBUJUSA-DEOSSOPVSA-N 427.500 5.485 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2C)c(C)c1 170272352 WJDXJBPOWQEDIW-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2C)c1 170272389 XTBQRAFHIOWIDQ-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(OCC(C)C)cc2)=C(O)C(=O)N1C1CCCCC1 170275453 XLXPAOPNPBDAIF-RUZDIDTESA-N 447.575 5.941 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccco2)cc1 170282696 BLVOBKJBZQDDCN-HSZRJFAPSA-N 431.488 5.468 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@H]2c2ccco2)cc1 170284742 UMKGWGARRTUZKH-HSZRJFAPSA-N 447.487 5.167 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2ccco2)cc1C(C)C 170289009 DPLHTOJMDBDTGQ-HSZRJFAPSA-N 447.487 5.209 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccco2)c1 170289034 DLJWPQMVCUDVAF-QHCPKHFHSA-N 425.440 5.230 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2ccc(F)c(F)c2)o1 170299441 NYBAYASECGVFLV-QHCPKHFHSA-N 445.421 5.802 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(C)o2)c1 170300162 OGPOOKKRXOENKB-OSPHWJPCSA-N 443.499 5.311 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(F)ccc2F)o1 170306192 AZGYMKIDFAODPU-LJQANCHMSA-N 429.806 5.303 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc(Cl)c(Cl)c2)=C(O)C(=O)N1C1CCCC1 170319651 GRDJDEJCOWZPFP-KRWDZBQOSA-N 436.360 5.884 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(Cl)cc2)c1 170365237 OFWYHTDDHAWFOQ-HSZRJFAPSA-N 447.918 5.830 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc3ccccc23)c1 170369326 HLEQNOHGAPVXOI-SANMLTNESA-N 449.506 5.940 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(OC(F)(F)F)cc2)o1 170401382 JXGZSYSVWZHRDL-IBGZPJMESA-N 443.377 5.270 30 10 IKEE Oc1ccccc1/C=N\[C@@]12CCCC[C@@H]1[C@H](/N=C/c1ccccc1O)c1ccccc1O2 254740331 PPJFANUQDXSZTQ-PYHSVZHNSA-N 426.516 5.656 30 10 IKEE C=CCn1nnc(CSc2ccc(F)cc2)c1C(=O)Nc1cc(Cl)cc(Cl)c1 334162105 JLBPCIYBVJVYBB-UHFFFAOYSA-N 437.327 5.455 30 10 IKEE CCCOc1ccc([C@H]2C(c3cccc(OC)c3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526489745 RQRUQRGSRLZCOA-VWLOTQADSA-N 440.499 5.413 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccs2)cc1OC 526516236 LZNQQAGCTPNOFU-JOCHJYFZSA-N 432.501 5.084 30 10 IKEE CC(C)COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccccn2)c1 526517192 QKZZYLVUCGJVRI-XMMPIXPASA-N 425.488 5.045 30 10 IKEE CC(C)c1ccc([C@@H]2C(c3cccc4ccccc34)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526519768 ITDASJSHOPICIS-MUUNZHRXSA-N 444.534 6.892 30 10 IKEE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccc(Cl)c2)c1 526606549 FYOGPJPPHXVFSF-HSZRJFAPSA-N 446.890 5.286 30 10 IKEE Cc1nnc(SCc2ccc(F)cc2)n1/N=C\c1c(Cl)ccc(Cl)c1Cl 526801406 OTHWDEWDQCLNHV-UYOCIXKTSA-N 429.735 5.860 30 10 IKEE CCOc1ccc(/C=N\n2c(CC)nnc2SCc2cc(C)ccc2C)cc1OCC 526818544 ODCSHQJDTPHVRK-MYYYXRDXSA-N 438.597 5.429 30 10 IKEE CCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1cn(CC)c2ccccc12 526822829 OICOFTCKSQTYCD-YSMPRRRNSA-N 428.565 5.251 30 10 IKEE N#Cc1cccc(C(=O)N(C[C@H]2CCCO2)c2nc3c(C(F)(F)F)cccc3s2)c1 585176789 IHOKYIBRGLOJDQ-OAHLLOKOSA-N 431.439 5.013 30 10 IKEE CSc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)cc1 698456290 NAXJVZKRSHWNTM-SFHVURJKSA-N 433.371 6.177 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@H]2CCCCN2C(=O)OC(C)(C)C)c1 698470846 WCNYNGJASFXOAN-NLFFAJNJSA-N 443.588 5.808 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1cc(F)c(F)c(F)c1 698491224 XSBOTSHADSLJTP-INIZCTEOSA-N 441.247 5.873 30 10 IKEE C[C@@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)CN1C(=O)OC(C)(C)C 698831511 ZYLTYLDXHBGYRX-WAIKUNEKSA-N 433.524 5.249 30 10 IKEE CSc1cnc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)s1 712918761 DMVXSLNHZMINHN-CYBMUJFWSA-N 440.388 5.634 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 724069287 ITYWBRLWTNGFBN-QMHKHESXSA-N 433.524 5.154 30 10 IKEE C=CCOC(=O)/C=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1 1083902733 FPZZZMJGSSDEMB-TWGQIWQCSA-N 437.717 5.433 30 10 IKEE Cc1ccccc1/C=C1\SC(=NN=Cc2ccc(Cl)cc2)N(Cc2ccco2)C1=O 1772758530 XWSIPQHPGJUCKC-JWZGDWNOSA-N 435.936 5.748 30 10 IKEE Fc1ccc(NC(=S)N/N=C\c2cn(-c3cccc(F)c3)nc2-c2cccs2)cc1 1857808652 IOBCEYLKPBVLSV-MSXFZWOLSA-N 439.516 5.200 30 10 IKEE CC(C)c1ccc(NC(=O)CSc2nc(O)c(C#N)c(-c3ccccc3Cl)n2)cc1 1860827502 SIJIAVSKVJLURB-UHFFFAOYSA-N 438.940 5.228 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@H]1c1cccc(Cl)c1 1862391902 KXAQJSIDBXKXBQ-HSZRJFAPSA-N 439.983 6.451 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(O)cc1 1862411663 MRFHPMLOQYVYDF-JTSKRJEESA-N 443.490 5.608 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc(F)cc1)c1cccc(Cl)c1 1862441778 CRGQFUYRIYWXSP-QFIPXVFZSA-N 435.882 5.300 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccccc2)cc1 1862475633 QXIZTXZZVDCPKW-UQBPGWFLSA-N 425.528 5.897 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCC2=CCCCC2)c1 1862489558 XLKKLGDBOXGIEU-RUZDIDTESA-N 445.559 5.781 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc(C(=O)O)cc2)c1 1862493585 UBZRWYYPGBHVJA-LXBDKUERSA-N 447.531 5.159 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2Cl)ccc1F 1862502820 JOTYXZUSRIQQQV-FQEVSTJZSA-N 441.911 5.628 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc(C(F)(F)F)cc2)ccc1F 1862507916 BRYYPPBSXNQKGP-IBGZPJMESA-N 435.417 5.387 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2ccc(CC)cc2)cc1 1862529580 IANPUBWJWCRXRJ-DEOSSOPVSA-N 445.584 5.694 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2cccc(Cl)c2)cc1 1862558461 XPXNQTKNZJWIPF-QFIPXVFZSA-N 432.907 5.009 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(F)cc2)cc1 1862616964 TTXWIOGMNVEURJ-JOCHJYFZSA-N 433.479 5.495 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C2CCCCCC2)cc1 1862649279 UTQFDBROPQZCPA-SANMLTNESA-N 439.555 6.449 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2cccc(O)c2)cc1 1862661043 BWTIECLBIPQTAQ-QHCPKHFHSA-N 447.556 5.398 30 10 IKEE COc1cc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CC2)ccc1OC(C)C 1862671061 ITIWYZRJVWTWBQ-XMMPIXPASA-N 449.547 5.347 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2ccc(C)cc2)cc1 1862687616 NDBVDAWCGRBLSD-XMMPIXPASA-N 427.500 5.091 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(C(C)C)cc2)cc1 1862691949 ZITUVLQEJDVKPP-VWLOTQADSA-N 447.575 6.120 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1cccc(Cl)c1 1862700556 JFSQFIVCIJSMGK-NRFANRHFSA-N 427.928 5.507 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1c(Cl)cccc1Cl)c1ccc2ccccc2c1 1862716899 QTFKLHCMGPJGTK-OAQYLSRUSA-N 438.310 5.887 30 10 IKEE N#Cc1ccccc1N1C(=O)C(Nc2ccc3ccccc3c2)=C(c2ccc(Cl)cc2)C1=O 1862804273 ACHVWAYKXLCPMD-UHFFFAOYSA-N 449.897 5.761 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccccc3C#N)C(=O)N(c3cccc4cccnc34)C2=O)c1 1863020581 VFIKYEBISIJTCJ-UHFFFAOYSA-N 444.494 5.120 30 10 IKEE CCCCOc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3cccs3)C2=O)cc1 1863117473 LUKOUDHQUVMQAR-UHFFFAOYSA-N 443.528 5.195 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(C)cc2Br)=C(c2cccc3ccccc23)C1=O 1863230501 HGPAXEKAFCADTO-UHFFFAOYSA-N 447.332 5.289 30 10 IKEE CCCC[C@@H](NC(=O)C[C@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)Nc1ccccc1C#N 1866775117 KPGOOZCKNPXCBZ-LADGPHEKSA-N 449.595 5.319 30 10 IKEE CCc1ccc([C@@H]2CN(c3cc(Nc4ccc(C#N)cc4)nc(C(C)C)n3)CCO2)cc1 1868242292 LYDWXCVBBFIAJF-QHCPKHFHSA-N 427.552 5.356 30 10 IKEE COc1ccccc1[C@@H]1c2ccccc2CCN1c1cc(Nc2cccc(C#N)c2)nc(C)n1 1868467376 XFBFCGPQCKFJDF-NDEPHWFRSA-N 447.542 5.561 30 10 IKEE CCCCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CSc1nnnn1C 1870165909 UBSHMKZFGOAESY-UHFFFAOYSA-N 447.649 5.150 30 10 IKEE CCCCCCCCn1cc(OCCOc2ccc(C)cc2)c(=O)cc1CSCCO 1870218769 FZZVWNLPTMZJMS-UHFFFAOYSA-N 447.641 5.201 30 10 IKEE C=CCn1cc(OCCCCOc2ccc(C)cc2)c(=O)cc1CSc1ccccc1 1870224943 IMRXVPQRQOXYQE-UHFFFAOYSA-N 435.589 5.873 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCCCOc2ccc(C)cc2)cn1CC(C)C 1870318957 CRIIWDYAKVMSRG-UHFFFAOYSA-N 438.612 5.225 30 10 IKEE COc1ccccc1/C=C1\Oc2c(ccc3c2CN(Cc2cccc(Cl)c2)CO3)C1=O 1871347958 HGRANIKYCUUGOR-FMCGGJTJSA-N 433.891 5.317 30 10 IKEE COc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(C3CCCCCC3)C4)C2=O)c(OC)c1 1871353173 IJVGYSQKZZIQJW-CFRMEGHHSA-N 449.547 5.503 30 10 IKEE O=C1/C(=C/c2cccc(Cl)c2)Oc2c1ccc1c2CN(CCCCc2ccccc2)CO1 1871354632 WFQUAEPFCGJMBD-XYGWBWBKSA-N 445.946 6.131 30 10 IKEE Cc1cc(OC(=O)CCc2cccs2)cc2c1C(=O)/C(=C/c1ccc(N(C)C)cc1)O2 1871392085 OGTVZRROIOJCJN-HMAPJEAMSA-N 433.529 5.277 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 1871402036 CNIVJSBBNKUSCB-SNNLMFDCSA-N 445.490 5.719 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3c(ccc(OCCOc4cccc(C)c4)c3C)C2=O)c1 1871407412 MXSPHEBSSLDCOL-XYGWBWBKSA-N 446.499 5.395 30 10 IKEE Cc1ccccc1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1cccc(F)c1)C2=O 1871409409 NMWKNWFKLJLFBF-ICODJCHTSA-N 431.463 5.465 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)c(C)c1 1871418706 IPJJIDSZGWRXSB-FMCGGJTJSA-N 431.463 5.385 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1OC)C2=O 1871424692 SQERUTLLKNWHHK-OYKKKHCWSA-N 443.499 5.200 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3cccc(Cl)c3C)cc(C)c2C1=O 1871427938 ZWOHXYQMLQMOPB-FMCGGJTJSA-N 447.918 5.899 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 1871871128 GXOBNEMMMCYFKD-JOCHJYFZSA-N 449.016 5.269 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)Cc3cc(Cl)ccc3Cl)n2)cc1 1872770400 RYDBUTLICRKTCS-GOSISDBHSA-N 445.371 6.325 30 10 IKEE N#C[C@@H](C(=O)Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc(F)cc2)cs1 1872775806 AWEAITUVWBTUJK-QHCPKHFHSA-N 442.515 5.947 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2Cl)C(=O)N(CCCCCC)C1=O 1873032116 VEULEKXPDUOXKR-UHFFFAOYSA-N 447.063 6.731 30 10 IKEE Sc1nnc(C2CCCCC2)n1/N=C/c1cccc(OCc2ccccc2Cl)c1 1873502504 LTWKPDZASPVAHL-ZVHZXABRSA-N 426.973 5.729 30 10 IKEE CCCCCCCCCCNc1ncnc2c1ccc(=O)n2-c1ccc(N2CCCC2)cc1 1873540699 RGDSBFAWICEMMK-UHFFFAOYSA-N 447.627 5.934 30 10 IKEE CN1C(=O)C[C@H](C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1cccc(F)c1 1874181144 JHXOIHZCQPTMSE-DOTOQJQBSA-N 448.338 5.021 30 10 IKEE CCCSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1cccc(F)c1 1874223742 ATVAMNIULZRHPA-KOEQRZSOSA-N 426.561 5.376 30 10 IKEE Fc1ccc(CSc2nnc(CCOc3ccccc3)n2/N=C/c2cccs2)cc1 1874344774 FKBHKDGBXLJTPX-BUVRLJJBSA-N 438.553 5.275 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OC)cc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874349657 XIQSMTYFKCGDLH-WGOQTCKBSA-N 434.609 5.725 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3C)n2/N=C/c2ccccc2F)cc1 1874359959 HQNTUMAMVBOYLG-OGLMXYFKSA-N 444.579 5.994 30 10 IKEE C=C(C)CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1ccc(N(CC)CC)cc1 1874395640 RDFXHDXZRSXPNG-UBYGEMSKSA-N 433.625 5.827 30 10 IKEE COc1cccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2cc(C)ccc2C)c1 1874408056 DISUOCLVCOLJJO-WPWMEQJKSA-N 448.636 6.201 30 10 IKEE CCCCCCOc1ccc(/C=N/n2c(Cc3cccs3)nnc2SC)cc1OC 1874411461 VAOZXRBWSBYCJD-XQNSMLJCSA-N 444.626 5.502 30 10 IKEE Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1ccc(F)cc1 1874427189 VKMWXJJKHOEDNS-CVKSISIWSA-N 445.523 5.006 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2cccc(C)c2)nnc1[C@H]1CCCO1 1874446500 CXSQHAMVQZEMOF-NJRDNMGOSA-N 436.581 5.401 30 10 IKEE COc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2C2CCCC2)c(OC)c1 1874455916 QFSDLZCIEIPFMS-KOEQRZSOSA-N 436.581 5.170 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2-c2ccco2)cc1 1874468243 ZCKAGBDDLPXYRQ-WPWMEQJKSA-N 438.556 6.428 30 10 IKEE CC(C)(C)c1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(F)cc1F 1874486327 LWMNOVAPGMEVFE-KIBLKLHPSA-N 438.906 5.821 30 10 IKEE COc1cccc(/C=N/n2c(CC(C)C)nnc2SCc2ccc(Cl)cc2)c1O 1874491600 ZIQWWPPFAURNCA-FSJBWODESA-N 430.961 5.019 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(COC)nnc2SCc2ccc(Cl)cc2)cc1 1874503180 UXOZNZTYFXWJJB-ZVHZXABRSA-N 444.004 5.099 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1ccc(Cl)cc1Cl 1874504930 IWBPRKQZRDVZDF-FSJBWODESA-N 448.379 5.150 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc(C(=O)OC)cc1 1874527931 LLCVVKWYCOBXLX-FOKLQQMPSA-N 449.363 5.108 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(S)nnc2CCc2cccc3ccccc23)cc1 1874567581 FRNRYTGKHVIDEC-NLRVBDNBSA-N 429.593 5.234 30 10 IKEE Sc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1ccc(Cl)cc1Cl 1874570015 KZWIXTYKARAVLI-AWQFTUOYSA-N 442.169 5.109 30 10 IKEE O=C(/C=C/c1ccccc1OCc1cccc2ccccc12)c1ccc(-c2ccccc2)cc1 1874570895 NQQLYRWCQLXJPC-QURGRASLSA-N 440.542 7.982 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCc2cccc(Cl)c2)cc1 1874575958 PEPXANQTTBTVEF-DHZHZOJOSA-N 443.326 6.486 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Br)ccc2OCc2ccccc2C)cc1C 1874588428 LWDRXRCTPWBWLJ-ZRDIBKRKSA-N 435.361 6.849 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccc(C)c(C)c2)cc1Cl 1874590930 LRPKIURIQVHXQT-FMIVXFBMSA-N 449.934 5.879 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1OCc1cccc(F)c1 1874601203 YRQUCDAOGAKXPZ-WEVVVXLNSA-N 431.290 6.616 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 1874604264 CSRHADMKJATLAM-MDWZMJQESA-N 441.354 7.040 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(Cl)c3)c(OC)c2)cc1OC 1874604516 RASPAEZXAQDJAX-JXMROGBWSA-N 438.907 5.841 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Cl)c1OCc1ccccc1C 1874612228 JFXODDPORRFKNL-ZHACJKMWSA-N 427.327 6.786 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 1874616660 MSTOFYCXRNTJCT-LHHJGKSTSA-N 441.354 7.257 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OCc1ccc(C)cc1 1874617595 JYUXRQVQFSMWHX-FYWRMAATSA-N 426.556 6.824 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OCc1ccc(F)cc1 1874623302 VXKHCUXCYINEIB-AWNIVKPZSA-N 438.926 7.086 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc(OC)c1OCc1cccc(C)c1 1874623729 RUCYEJJXBQLFQW-ZRDIBKRKSA-N 446.518 6.355 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3cc(C)ccc3C)c(Cl)c2)c(OC)c1 1874632630 MWQPTMKMBJWACA-YRNVUSSQSA-N 436.935 6.449 30 10 IKEE C=CCOc1c(Br)cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1OC 1874638360 VXGNPISOXFBGPH-QPJJXVBHSA-N 442.136 6.225 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccc(F)cc2)c1 1874711541 BUHDCZKEVNAIFE-BJMVGYQFSA-N 445.273 6.256 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OC(=O)CC(C)(C)C 1875087872 GXBZJTAECGGZHA-MDZDMXLPSA-N 445.899 5.885 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(OC)c1OC(=O)c1sccc1C 1875100803 DRDDXQMEWOJDLS-JLHYYAGUSA-N 446.568 6.471 30 10 IKEE CC(C)(C)CC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1Cl 1875109943 LPPVAPOZCQYKQY-ONNFQVAWSA-N 435.745 6.340 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1cncc(C)c1 1875150497 QAGAPOJWCDBAOQ-WUXMJOGZSA-N 429.516 5.811 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2Cl)cc1 1875175466 QNTZGNCNVMCOOJ-NTUHNPAUSA-N 448.946 6.400 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)Oc3ccc(Cl)cc3)cc2)c(C)c1 1875182610 LWPRMIMHQQEUFB-FZXOMJPYSA-N 448.946 6.534 30 10 IKEE CC1(C)OCC[C@]1(C#N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875690320 SRJNDPMVCPQNGW-XCZPVHLTSA-N 443.543 5.587 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cccnc3Oc3ccccc3)cc21 1890945901 SEZZMIKYLCNXOD-UHFFFAOYSA-N 443.503 5.064 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CCC1(NC(=O)OC(C)(C)C)CCCC1)NCCC 1922055578 SGSDWTHKDQHSGU-HSZRJFAPSA-N 430.633 5.745 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F 1922121554 YJAQOBCRSBITKV-LEWJYISDSA-N 438.559 5.020 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)C1CC2(CCCN(C(=O)OC(C)(C)C)C2)C1 1997286211 GSUUIXIUTVIVNY-SBRHDKPSSA-N 428.617 5.165 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)NCC 2015978073 NSDUWVPVKMSCLL-CQOQZXRMSA-N 430.633 5.459 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@@H](C#N)[C@]1(C)CCCN1C(=O)OC(C)(C)C 2020807962 YGQGYHUBINSKPD-MBSDFSHPSA-N 433.524 5.249 30 10 IKEE Cc1nc(S[C@@H](C)C(=O)C=C2N(C)c3ccccc3C2(C)C)n(C[C@@H]2CCCO2)c1C 2040489800 HFMWTEOTWVTYJJ-OALUTQOASA-N 439.625 5.040 30 10 IKEE CC1(C)CC[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)[C@H](OCc2ccccc2)C1 2043779278 CDEBADPXLGASNO-YKSBVNFPSA-N 441.576 5.982 30 10 IKEE N#Cc1ccc(Nc2ccc(Br)c(Br)c2)cc1Br 2065993897 YGROSLMVOXSAMF-UHFFFAOYSA-N 430.925 5.589 30 10 IKEE COc1ccc([C@H](n2nc(C(C)C)c(C#N)c2I)C2(C)CC2)cc1C 2079938265 DQXLEILSAQLUSD-SFHVURJKSA-N 449.336 5.189 30 10 IKEE CCCCCC#CC[C@@H](NC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2083451671 BEMDVRRNNQJBCB-XMMPIXPASA-N 441.660 5.108 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)[C@@H](C)CN(Cc2ccccc2)C[C@H]1C 2099264698 AKZNDKMGMHFXDJ-YFWUERRMSA-N 449.595 5.487 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CC12CCC(Nc1cc(Br)cc(F)c1C#N)CC2 2163688971 YSOUZMJLLUCKDW-DJMMNXNOSA-N 438.341 5.098 30 10 IKEE CCC[C@@H]1CCOCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2165351077 SBFUMZOJPBBKLI-IIBYNOLFSA-N 437.378 5.680 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@@H](Nc3ccc(Br)c(C#N)c3)C[C@@H]21 2166954422 FMVMNAZPRADKEZ-BJZITVGISA-N 434.378 5.301 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1ncoc1C1CCC1 2169516146 YOTOELNMHZLJCP-MRXNPFEDSA-N 432.318 5.711 30 10 IKEE C[C@H]1CCCN(c2cc(Br)cc(C#N)c2)[C@H]1CCCNC(=O)OC(C)(C)C 2174807938 IHZGLONMUKDPGK-KXBFYZLASA-N 436.394 5.231 30 10 IKEE CCCCCCC[C@H](CO)N(C(=O)OCc1ccccc1)c1ccccc1Br 2219996320 XLIAQFVJBKIZGO-HXUWFJFHSA-N 448.401 6.314 30 10 IKEE CCCCCCC[C@H](N)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229115235 FFBXZBSRLWYEFU-OALUTQOASA-N 427.427 5.573 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)C[C@H](CCC)NC(=O)OC(C)(C)C 2235746319 JFLOVWSFWJLKGE-OALUTQOASA-N 437.422 5.252 30 10 IKEE C=C1CC(C[C@@H](NCC)[C@H](Cc2ccc(Br)cc2)NC(=O)OC(C)(C)C)C1 2237397780 GSNDOMVRNUITKW-UXHICEINSA-N 437.422 5.219 30 10 IKEE C#CCCCCC[C@H](NC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237398194 KSEYACQADDRSID-VQTJNVASSA-N 437.422 5.057 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 2248877722 GXFXTYZPSWAELF-VWFBZHOWSA-N 433.593 5.142 30 10 IKEE C=CCCCC[C@@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2276502892 GLXHAGRKXLZUTM-HHHXNRCGSA-N 445.603 6.607 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)c(OC)c1 2281462245 BOEILPRWLBKXCF-MJGOQNOKSA-N 441.410 5.358 30 10 IKEE C=CC[C@@]1(COc2cc(F)cc(Br)c2N)CCCCN1C(=O)OC(C)(C)C 2287705758 IXXUTXQEUBRHJY-FQEVSTJZSA-N 443.357 5.285 30 10 IKEE CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C=Cc3ccc(OC(F)F)cc3)c2C#N)C1 2294878088 YSDXAPCZFLBDEP-OAHLLOKOSA-N 430.520 6.024 30 10 IKEE C=CCOc1ccc(C=C2SC(=S)N(c3ccc(Br)cc3)C2=O)cc1 2296412425 UPVBFCSWUQIMLY-UHFFFAOYSA-N 432.364 5.420 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3c(ccc(OC(=O)c4ccccc4)c3C)C1=O)cn2C 2296871760 CCOKIEVNBZUBDJ-UHFFFAOYSA-N 439.467 5.331 30 10 IKEE Cc1ccc(C(O)=C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(Cl)cc2Cl)cc1 2296924054 ORDFAXRQDNMFJA-HXUWFJFHSA-N 442.298 5.517 30 10 IKEE O=C1C(=Cc2ccccc2Br)CCCC1=Cc1ccccc1Br 2297334162 IYUMKWYJTLIPIV-UHFFFAOYSA-N 432.155 6.432 30 10 IKEE CN1C(=C2SC(=NC3CCCCC3)N(C3CCCCC3)C2=O)Sc2ccccc21 2297553832 QDBBGXGYZMJDNC-UHFFFAOYSA-N 427.639 5.994 30 10 IKEE CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2299161836 OSEOASWZYXFCBE-ROUUACIJSA-N 433.524 5.105 30 10 IKEE CCCN[C@H](C#C[C@H](OC)C1CCCC1)CN(Cc1ccccc1)C(=O)OC(C)(C)C 2303640077 ISVFKTVXBNGRHU-RPWUZVMVSA-N 428.617 5.001 30 10 IKEE CC(C)c1ccc(C=CC(=O)c2ccc(OC(=O)c3ccccc3Br)cc2)cc1 2314429196 AOHZTNPAYBLQBD-UHFFFAOYSA-N 449.344 6.688 30 10 IKEE Cc1cccc(N=C2SC(=Cc3cccc(OCc4ccc(Cl)cc4)c3)C(=O)N2C)n1 2314540641 VCXOGRNIRRKJOE-UHFFFAOYSA-N 449.963 5.856 30 10 IKEE Cc1cccc(C)c1NC(=O)CSc1nnc(C2CC2)n1N=Cc1ccccc1Cl 2320844296 MSGYLKGGHYHOPV-UHFFFAOYSA-N 439.972 5.039 30 10 IKEE Cc1c(OCc2cccc(Cl)c2)ccc2c1OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2321766647 KQTMMDLYDGPILV-UHFFFAOYSA-N 445.729 7.150 30 10 IKEE CCOc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(Cc1ccccc1F)C3 2322056909 MFSHQVVDCSVMTJ-UHFFFAOYSA-N 445.490 5.501 30 10 IKEE COc1cccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCC2=CCCCC2)C4)c1 2322107116 GJTSPKYPKZICQV-UHFFFAOYSA-N 431.532 5.662 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1C 2322415548 IKLUWJDJXVRZCX-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1C 2322894452 VFZYIXLNQFRVQS-UHFFFAOYSA-N 445.773 7.739 30 10 IKEE Cc1cccc(NC(=O)COc2cccc(C=CC(=O)c3ccc4ccccc4c3)c2)c1C 2323049433 YJEWNRNCYPFAPA-UHFFFAOYSA-N 435.523 6.370 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1OCC(=O)Nc1ccccc1C 2323106040 OLOUIBCVHFTZNA-UHFFFAOYSA-N 437.442 5.195 30 10 IKEE COC(=O)c1ccc(COc2cc(C=CC(=O)c3cccc4ccccc34)ccc2OC)o1 2323202280 ZVEBFCKHHNIIJH-UHFFFAOYSA-N 442.467 5.703 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2cccc(OCc3cccc(Cl)c3)c2)cc1Cl 2323279921 MEAXKVHRLRPZOS-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCc3cc(C)ccc3C)c2)c(OC)c1 2323283101 NUKQPWQTYVVOFJ-UHFFFAOYSA-N 432.516 5.804 30 10 IKEE O=C(C=Cc1ccc(OCc2c(F)cccc2Cl)c(Cl)c1)c1cccc(Cl)c1 2323766631 ZIUANUULJFVORZ-UHFFFAOYSA-N 435.709 7.261 30 10 IKEE COc1cc(C=C2CN(Cc3ccccc3)CCC2=O)cc(OC)c1OCc1ccccc1 2323844199 IMBOROBHFQEEES-UHFFFAOYSA-N 443.543 5.141 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OCc1ccc([N+](=O)[O-])cc1 2324010365 PDFHPCZWAGXNRV-UHFFFAOYSA-N 433.460 5.396 30 10 IKEE CCCCN(CCCC)Cc1c(O)cc(C)c2c1OC(=Cc1ccccc1OCC)C2=O 2324077864 OQXZYKRLUDKXBN-UHFFFAOYSA-N 437.580 6.118 30 10 IKEE C=C(C)COc1ccc(C=CC(=O)c2ccc(OCCCCCCC)cc2)cc1OCC 2324210212 YGMXOJPDSPJADB-UHFFFAOYSA-N 436.592 7.286 30 10 IKEE Cc1cc(OCCOc2ccccc2)cc2c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O2 2324220937 MWNGDYGNTLIMAS-UHFFFAOYSA-N 441.310 6.376 30 10 IKEE Cc1c(OCCCc2ccccc2)ccc2c1OC(=Cc1cccc(Br)c1)C2=O 2324280855 KQWVJULSQYMFRC-UHFFFAOYSA-N 449.344 6.385 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccco1)C2=O 2324514609 PPIBPPVEGCOSIE-OAHLLOKOSA-N 437.879 5.572 30 10 IKEE COC(=O)c1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3cccc4ccccc34)cs2)cc1 2324640328 YDDKKFSOYCKQTJ-JOCHJYFZSA-N 438.508 5.640 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)C=Cc3ccc([N+](=O)[O-])cc3)n2)cc1C 2324825858 OWBQSVGECMSZNI-LJQANCHMSA-N 433.489 5.233 30 10 IKEE COc1ccccc1C=Nn1c(Cc2ccccc2)nnc1SCc1cccc(F)c1 2325471809 XEFJPTMJIZKNIT-UHFFFAOYSA-N 432.524 5.191 30 10 IKEE COc1cccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2cccc(Cl)c2)C3=O)c1 2325576452 ZGAXBBBILSRJDJ-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE CCCOc1cccc(C=Nn2c(CC)nnc2SCc2c(Cl)cccc2Cl)c1 2325603456 KUBBQQFKACNUEG-UHFFFAOYSA-N 449.407 6.111 30 10 IKEE CCCOc1cccc(C=Nn2c(C)nnc2SCc2ccc(Cl)c(Cl)c2)c1 2325642518 AYUSSJQKXXUNJF-UHFFFAOYSA-N 435.380 5.857 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1OC(=O)c1ccc(F)cc1F 2325727830 UIHKRBPGNICZJH-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1OC(=O)COc1c(C)ccc(C)c1C 2325750919 VBQBIJZCGJLQCX-UHFFFAOYSA-N 448.490 5.640 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC)c(OC(=O)CC(C)C)c2)c1 2325757931 WXSWDVUPXHKVDA-UHFFFAOYSA-N 426.509 5.340 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2cccc(OC(=O)c3cncc(C)c3)c2)c1 2325758401 JPEBYOZDPJYSLY-UHFFFAOYSA-N 431.488 5.303 30 10 IKEE CCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1N=Cc1ccc(C)cc1 2325843241 CQOZUYRQJQKGPN-UHFFFAOYSA-N 436.625 5.890 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccc(OC)cc1 2326074916 XZJJBWVSKCRRTQ-UHFFFAOYSA-N 444.988 5.336 30 10 IKEE Cc1nnc(SCc2ccccc2F)n1N=Cc1c(Cl)ccc(Cl)c1Cl 2326266212 MJGOFDLXTVXAEN-UHFFFAOYSA-N 429.735 5.860 30 10 IKEE CCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1c(OC)ccc2ccccc12 2326409288 IBWKXOOSOLMMRD-UHFFFAOYSA-N 430.577 5.794 30 10 IKEE CCOc1cc(C=Nn2cnnc2SCc2cc(C)ccc2C)cc(Cl)c1OCC 2326589034 DAMAWPKPFPDRPF-UHFFFAOYSA-N 444.988 5.520 30 10 IKEE C(=Nn1c(Cc2cccc3ccccc23)nnc1SCCc1ccccc1)c1ccncc1 2327754290 CWANDSGSRYSQOW-UHFFFAOYSA-N 449.583 5.634 30 10 IKEE CC(C)c1ccc(C=Nn2c(CCc3ccccc3Cl)nnc2SCCCO)cc1 2327985641 UMOXPYJIQOGZHD-UHFFFAOYSA-N 443.016 5.197 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3C)n2N=Cc2ccccn2)cc1C 2328774337 OVGFFNWBHHSJJX-UHFFFAOYSA-N 443.576 5.352 30 10 IKEE C(=Nn1c(COCc2ccccc2)nnc1SCCc1ccccc1)c1cccs1 2329347904 CTVTZMIXEFXRGN-UHFFFAOYSA-N 434.590 5.273 30 10 IKEE Cc1ccccc1CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1ccccc1O 2330057451 XVFLIIUZFMPBAJ-LJQANCHMSA-N 428.561 5.618 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2Cl)n1N=Cc1ccccn1 2330110405 LBQMHOWDRYSUBK-QGZVFWFLSA-N 433.968 5.653 30 10 IKEE CCCOc1c(C=Nn2c(CCc3ccccc3)nnc2SCCC)cccc1OC 2330202943 DNDDHDJXEVWCQW-UHFFFAOYSA-N 438.597 5.245 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SCCC)nnc2-c2cccs2)cc1OC 2330594548 OYHKCKJMEWSANU-UHFFFAOYSA-N 444.626 5.969 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccccc2)n1N=Cc1cccc2ccccc12 2330634943 FCJFQDHZNVVJQY-UHFFFAOYSA-N 434.568 6.581 30 10 IKEE CSc1nnc(CC(C)(C)C)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2330799814 GKERKJVKBJNAJP-UHFFFAOYSA-N 428.989 5.703 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3ccccc3)c(OC)c2)cc1C 2330854601 PDVAARNAKFYZCY-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccccc1Cl 2330873303 OSRJRBLWJIDNFS-UHFFFAOYSA-N 433.408 6.348 30 10 IKEE Cc1ccc(C=Nn2c(SCC(=O)Nc3c(C)cccc3C)nnc2C2CCCC2)cc1 2331065615 CMZAJBVWWVVTIC-UHFFFAOYSA-N 447.608 5.474 30 10 IKEE Cc1ccc(C)c(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3F)cc2)c1C 2331084595 MHCXMULYTXVMMS-UHFFFAOYSA-N 436.454 5.771 30 10 IKEE Cc1ccsc1C(=O)Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1[N+](=O)[O-] 2331093119 VAZJOOXAQBWQBC-UHFFFAOYSA-N 429.400 5.358 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1 2331117573 GUAQBAIKPONRFJ-UHFFFAOYSA-N 425.311 6.428 30 10 IKEE Cn1cc(C=Nn2c(SCc3cccc(F)c3)nnc2C(F)(F)F)c2ccccc21 2331123465 AUDRVBHQWOKJNV-UHFFFAOYSA-N 433.434 5.102 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)c(F)c2)c(Cl)c1)c1ccc(Cl)cc1 2331142853 DWCIFWVFYRRLPX-UHFFFAOYSA-N 433.237 6.387 30 10 IKEE C[C@H](Oc1ccc(Cl)cc1)C(=O)Oc1ccc(C=CC(=O)c2ccccc2)cc1Cl 2331165866 MWWPAZVHQDHDBY-INIZCTEOSA-N 441.310 6.262 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)c(C)c3)c(Cl)c2)c(C)c1 2331219157 QFFFJCRORIMFDF-UHFFFAOYSA-N 432.947 6.618 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3)cc2OC)cc1 2331293024 JQVQQGOUJFKSCZ-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1 2331295923 UWNJSDBYFXLZMA-UHFFFAOYSA-N 431.444 5.499 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)CC2CCCCC2)c(Cl)c1 2331358660 ZSKCMTFUNXALHV-UHFFFAOYSA-N 426.940 6.429 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)CC1CCCCC1 2331429912 SZHDBQOZKNJWEJ-UHFFFAOYSA-N 434.576 6.765 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)c1ccccn1 2331532034 MSLPYHULKWIOCE-UHFFFAOYSA-N 425.843 5.388 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OC(=O)Cc1ccccc1Cl 2331569527 MQGMEPHCBMQBKF-UHFFFAOYSA-N 442.845 5.671 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc(C)cc(C)c3)c(Cl)c2)c(C)c1C 2331613518 ZBAXPGFCTLWYGK-UHFFFAOYSA-N 448.946 6.698 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccccc2C)c(Cl)c1 2331662033 TXXHATBIIWVVMM-UHFFFAOYSA-N 434.919 6.389 30 10 IKEE Cc1ccc(NC(=O)OC(C)(C)C)cc1Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N 2364746380 WVTMDDLMPDMRKG-UHFFFAOYSA-N 449.360 5.257 30 10 IKEE CC1(C)OB(/C=C/c2ccc(N[C@@H]3C[C@@H]4C[C@H](OCc5ccccc5)C[C@H]43)nc2)OC1(C)C 2365063289 XFXYPNYSXUYUEV-FORVWGGYSA-N 446.400 5.522 30 10 IKEE Cc1cc(Br)c(OCc2ccc(F)c(C#N)c2)cc1NC(=O)OC(C)(C)C 2370450386 LPZFZPVZVYLGRX-UHFFFAOYSA-N 435.293 5.694 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)nc(O)c1[C@@H]2c1ccccn1 9781045 QMGDOYHVSKMPAY-HXUWFJFHSA-N 444.560 5.070 30 10 IKEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2 20711576 TVVZGBKXERMXOP-PZPWOCDFSA-N 435.376 5.284 30 10 IKEE CCOc1cc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)ccc1OC(C)C 20881773 XCVQUDZOKCBDNE-LEWJYISDSA-N 433.548 5.185 30 10 IKEE CCc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc3c(c2)OCO3)cc1 21226032 JNDQPYFYBIQQCF-PIIWDFAUSA-N 438.527 5.957 30 10 IKEE COc1ccc(/C=C\C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1Br 33377993 MAHBDAMBCSTTSA-JECSTDCCSA-N 431.355 5.168 30 10 IKEE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/Nc2oc(C)nc2C#N)cc1C 33959141 KSDBHDXOYMQLPD-JFLMPSFJSA-N 440.507 5.251 30 10 IKEE C=CCNC(=O)N(Cc1ccc(F)cc1)c1cccc(CC(=O)N[C@@H](C)c2ccccc2)c1 37600793 WRFOTTVMVDAMPF-FQEVSTJZSA-N 445.538 5.148 30 10 IKEE Cc1nnc(/N=C2/S/C(=C\c3c(Cl)cccc3Cl)C(=O)N2c2ccccc2)s1 39866444 JJNBOAQKNWQEJN-QPRIWKSWSA-N 447.372 5.962 30 10 IKEE CCOc1ccc(/N=N/c2c(C)c(C#N)c(=O)n([C@H](C)c3ccccc3)c2O)c([N+](=O)[O-])c1 39871228 FBFKKSCSONZPPA-HNSMJWMHSA-N 447.451 5.066 30 10 IKEE C=CCOc1cccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccc(F)cc2)c1 39876750 KPIWRMMEGGIQQD-QHCPKHFHSA-N 445.421 5.386 30 10 IKEE C=CCN1C(=O)c2[nH]nc(-c3cc(Cl)ccc3O)c2[C@@H]1c1ccc(OCCCC)cc1 39898656 NAGNUUFTJNAMGS-QHCPKHFHSA-N 437.927 5.346 30 10 IKEE CCOc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN([C@H](C)c2ccccc2)C4)cc1 41646308 BGHXACIHBXOJLG-MGKUZBKYSA-N 441.527 5.923 30 10 IKEE O=C1/C(=N\Nc2cccc(Cl)c2)c2ccccc2N1Cc1c(Cl)cccc1Cl 59155817 VYFVFZLAMTUEKD-QOMWVZHYSA-N 430.722 6.010 30 10 IKEE COc1ccc(C(=O)/C=C\c2cccc(OCc3ccccc3)c2)cc1CSCC(=O)O 97996767 ARMMUHBKBQDJQN-BENRWUELSA-N 448.540 5.488 30 10 IKEE CCCCCCCOc1cccc(NCC(=O)Nc2cccc(OCCC(C)C)c2)c1 100090009 HSJABQYAGTWBGY-UHFFFAOYSA-N 426.601 6.511 30 10 IKEE CN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2)S/C1=N/c1nccs1 101127931 LIZYYGSOIMDABG-FKHPOCDDSA-N 441.965 5.609 30 10 IKEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccccc2)cc1 102495660 NWZPFVLGNMYBSF-SADKCHQCSA-N 426.497 5.231 30 10 IKEE CCCCCCCCCC(=O)N(CC(=O)N(Cc1ccco1)C[C@@H]1CCCO1)C(C)C 102997388 SMRNLDHDKFCNBM-QHCPKHFHSA-N 434.621 5.165 30 10 IKEE O=C1C(=O)N(c2nccs2)[C@@H](c2ccc(Cl)cc2)/C1=C(/O)c1ccc(Cl)cc1 103221926 CEADUZPXBWGMOR-SCDSTIRESA-N 431.300 5.076 30 10 IKEE COc1ccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccccc2C)cc1 169926677 IIXGSFGANKUOGL-RUZDIDTESA-N 427.500 5.106 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2cccc(OC)c2)cc1 169932548 PVATYVSOWLBNJG-VWLOTQADSA-N 441.527 5.657 30 10 IKEE CCCCCCCCCOc1ccc([C@H]2NC(=S)NC3=C2C(=O)CCC3)cc1OCC 169939096 QPLHYQPYAIOXAH-XMMPIXPASA-N 444.641 5.741 30 10 IKEE CCCOc1ccc(/C=N\Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1Br 169940695 JPCOKYSWXNSYLQ-FMCGGJTJSA-N 444.398 6.424 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccs1 169982546 GZMSCOORVUGPQI-JOCHJYFZSA-N 445.496 5.281 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2cccnc2)cc1 170002682 XHSZNHLVVIMJAW-QFIPXVFZSA-N 432.907 5.641 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccccc2)cc1 170052785 UXJLMDSWBUYOTH-AREMUKBSSA-N 449.506 6.021 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2ccc(F)cc2)cc1 170061687 NWODXUDOGQQBPR-DEOSSOPVSA-N 429.491 5.788 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2ccc(C)cc2)=C(N2C[C@H](C)O[C@@H](C)C2)C1=O 170076960 GWPNCZXUMZGLMY-VXKWHMMOSA-N 440.628 5.325 30 10 IKEE CCCCCCCCN1C(=O)C(SCc2ccccc2)=C(c2ccc(C)cc2C)C1=O 170095045 NWUKXSDJBTWBTG-UHFFFAOYSA-N 435.633 6.677 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2ccccc2)c1 170118040 QLJDMRPWMGNGML-VWLOTQADSA-N 435.479 5.631 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc(C)c2)cc1 170145411 BVIHRAAMGUSMCI-XMMPIXPASA-N 433.548 5.695 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2cccs2)c1 170158700 CWJKKMCPTWNPQB-QFIPXVFZSA-N 433.529 5.547 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1cccnc1 170183241 DKXIJCIXZXUFBF-JOCHJYFZSA-N 446.572 5.528 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccc(OCC)c1 170218370 WTEHUCDPUUWOFX-QHCPKHFHSA-N 433.504 5.600 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2ccccc2)cc1C 170229322 LWTDCSRWKRDVBT-QHCPKHFHSA-N 449.453 5.373 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@H]1c1ccccc1F 170253058 JLHGLNLNCFWEDL-LJQANCHMSA-N 436.508 5.246 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@H]1c1ccc(CC)cc1 170267589 AWUUNPAVSOEQJD-OAQYLSRUSA-N 427.928 5.289 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2C)c1 170269796 WPPQIGKKUMMTMI-QFIPXVFZSA-N 433.529 5.234 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccco2)c(C)c1 170289535 DOYIQUDVTHWPOH-QMHKHESXSA-N 429.472 5.003 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2c2ccc(F)cc2)o1 170299643 JOKZCLWXWAUIEI-HSZRJFAPSA-N 431.463 5.389 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2sccc2C)cc1C 170314373 ABLCOFZWESGVGG-OAQYLSRUSA-N 433.529 5.465 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2sccc2C)cc1OC 170315152 GOZYYJWUNFNRKX-NRFANRHFSA-N 449.528 5.165 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@H]1c1ccc(Cl)cc1)c1cccs1 170375104 GYFRYTBWXIRZTH-SFHVURJKSA-N 448.302 5.977 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1 243093738 IXYBFTJFYLVDDU-UHFFFAOYSA-N 441.600 7.362 30 10 IKEE COc1cccc(/C=C2/SC(=Nc3ccc(C)c(C)c3)N(c3ccc(C)c(C)c3)C2=O)c1 252616344 JZTGGLKGODRTLO-FOQODDTFSA-N 442.584 6.737 30 10 IKEE CCCCCCn1c(N=Cc2cc([N+](=O)[O-])cc(Br)c2O)nc2ccccc21 252625138 QEDLGKNJIKHLDF-UHFFFAOYSA-N 445.317 5.744 30 10 IKEE CCOc1ccc(C=Nc2nc(C(F)(F)F)c(-c3ccc4ccccc4n3)s2)cc1 252629041 TXNMYTCFCSGBMW-UHFFFAOYSA-N 427.451 6.526 30 10 IKEE CN1C(=O)/C(=C2\Sc3ccccc3N2C)SC1=Nc1ccc(Oc2ccccc2)cc1 252641995 ZHUTWQVIPWXUAC-CSFSZXLXSA-N 445.569 6.083 30 10 IKEE CC[C@H](C)Oc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1cccs1)C2 253571772 PJPXODVMDIJUEQ-HQWTYURQSA-N 444.600 6.905 30 10 IKEE CCCCCCc1cc2cc(-c3csc(N=Cc4ccccc4)n3)c(=O)oc2cc1O 263631948 FPFCLQTZRHDPKQ-UHFFFAOYSA-N 432.545 6.496 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2ccc(Br)cc2)cc1 526489026 OOMKCIOIJWSAKU-LJQANCHMSA-N 437.318 5.439 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1ccccc1[N+](=O)[O-] 526814109 FYSQGQHLEFBBBZ-FBHDLOMBSA-N 436.324 5.230 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)NC2CCN(C(=O)N(C)C3CCCCC3)CC2)c1 585954065 GELPXNJJWAPYDC-UHFFFAOYSA-N 440.632 5.103 30 10 IKEE CCc1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2cc(C)c(C)cc2OC)cc1 586219387 VQXIXIZYGWYCIA-UHFFFAOYSA-N 434.561 5.142 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@@H](C#N)c1ccc(Br)cc1Cl 698817967 JCAZVUVOOXGZLV-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@@](C)(C#N)Cc1ccc(Br)cc1 698855339 ZRRMMFFXZPUHHM-OAQYLSRUSA-N 433.321 5.855 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)C1 698882096 BIXXEWGSPVCQFY-QMHKHESXSA-N 449.979 5.621 30 10 IKEE CCCCCCCCCCOc1ccc(C=Nc2ccc(/C=C\C(=O)OCC)cc2)cc1 1081820502 LUFOQBNRKIKXAQ-XQYDASTNSA-N 435.608 7.533 30 10 IKEE O=C1C(=NNc2cc(Cl)ccc2Cl)c2ccccc2N1Cc1ccc([N+](=O)[O-])cc1 1084101067 ZHWHYFNEAZMFMW-UHFFFAOYSA-N 441.274 5.265 30 10 IKEE Oc1c(Cl)cc(Cl)cc1C=Nc1cc(C(F)(F)F)ccc1OCc1ccccc1 1084201939 CSJZAHFCBSKOJE-UHFFFAOYSA-N 440.248 7.047 30 10 IKEE CSc1nc(SC(=S)Nc2ccccn2)c(C#N)c(-c2cccc(Cl)c2)n1 1088667259 XEFFQDSLOBVTNL-UHFFFAOYSA-N 429.983 5.275 30 10 IKEE C[C@H]1C/C(=N/c2ccc(F)cc2)c2cc(F)ccc2N1C(=O)c1ccc(Cl)c(Cl)c1 1615950187 RSQMLOWKHGNMKJ-VKRVNKPYSA-N 445.296 6.831 30 10 IKEE C/C(=C1/SC(=Nc2cccc(C(=O)O)c2)N(c2ccccc2)C1=O)c1ccc(N)cc1 1772734324 DVGVEIKERNBKFB-POLMPROESA-N 429.501 5.166 30 10 IKEE CCc1ccc(NC(=O)c2oc3c(c2C)C(=NNc2ccc([N+](=O)[O-])cc2)CCC3)cc1 1772746945 FTKJHOYCFRFRPX-UHFFFAOYSA-N 432.480 5.463 30 10 IKEE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)C(=NNc2ccc(F)cc2)CCC3)c1 1772751259 ZIHJWLKTNKFGBC-UHFFFAOYSA-N 434.511 6.531 30 10 IKEE CC(C)c1c(Cl)c(C(=O)Nc2ccc(C#N)cc2)nn1Cc1ccc(C(C)(C)C)cc1 1859377906 OAUVPIYDBHWBCB-UHFFFAOYSA-N 434.971 6.130 30 10 IKEE CC(C)(C)C1CCC(N(C(=O)c2cccc(C#N)c2)c2ccc(C(F)(F)F)cc2)CC1 1859961988 QEFJOVKMUOXFPP-UHFFFAOYSA-N 428.498 6.829 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)CCc1ccc(Cl)cc1 1861106646 NDFTYSRBVSCIBS-QHCPKHFHSA-N 437.068 6.205 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)c1cccn(CC(C)C)c1=O 1861285360 YSIDSUZHAJSBBP-HSZRJFAPSA-N 447.664 5.050 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)[C@@H](C)Oc1ccccc1C(C)C 1861655585 XKTHQDUINHWVKR-FYYLOGMGSA-N 432.649 5.729 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2cccc3ccccc23)n(-c2ccc(Cl)cc2)n1 1862371431 XPFGHSDEOPPCON-UHFFFAOYSA-N 427.935 6.160 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(CCCC)cc3)=C(O)C(=O)N2CC)cc1 1862394364 LQUORJDDLILZRF-XMMPIXPASA-N 435.564 5.806 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2c(F)cc(F)cc2F)=C(O)C(=O)N1C1CCCCCC1 1862455925 GCVRVXWYVPZDDQ-QFIPXVFZSA-N 443.465 5.713 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccccc2C)cc1 1862475691 RZMHWJORMHDRKH-RXFWQSSRSA-N 439.555 6.205 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@H]1c1ccc2cc[nH]c2c1 1862516901 ZUTVRUADEHJJJA-XMMPIXPASA-N 446.547 5.725 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C(C)C)c1 1862550360 GUYJHRKMPKHUHN-DEOSSOPVSA-N 433.548 5.341 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862561644 WAQHOJXVVAMZEJ-DEOSSOPVSA-N 432.564 5.693 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cccc2ccccc12)c1cccc(O)c1 1862592559 FRRJMEOISLESAN-XMMPIXPASA-N 427.500 5.456 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(F)cc2)cc1 1862616966 TTXWIOGMNVEURJ-QFIPXVFZSA-N 433.479 5.495 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(Br)cc1 1862624878 RTMURZNFGVCUFS-IBGZPJMESA-N 442.353 5.345 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(C(C)C)cc1 1862664842 SKMSJHGBCHGMPA-RUZDIDTESA-N 449.591 5.937 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2C)cc1 1862674892 WYPPGIGEWFXBAN-CJAUYULYSA-N 443.518 6.036 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc3ccccc23)cc1 1862692416 LPRGJWISNRZVFJ-DEOSSOPVSA-N 427.500 5.369 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc(OC)c1 1862715776 RGKYSOUFSWWYKM-RUZDIDTESA-N 443.543 6.007 30 10 IKEE N#Cc1ccc(N2C(=O)C(Nc3cccc(Cl)c3Cl)=C(c3cccs3)C2=O)cc1 1863110665 ZPMSFHVNFNENLS-UHFFFAOYSA-N 440.311 5.323 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC[C@@H]2CCCO2)=C(c2cc(C)ccc2C)C1=O 1863740251 SMJIJKYCADKXAL-QFIPXVFZSA-N 440.628 5.293 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2OC)C(=O)N([C@@H](C)c2ccccc2)C1=O 1863768171 MVWJSJPJNWTWQC-FQEVSTJZSA-N 434.580 5.486 30 10 IKEE C#Cc1cccc(NC(=O)CCCCCCCCCCN2C(=O)c3ccccc3C2=O)c1 1865899302 YXWUBGXLDAKIMQ-UHFFFAOYSA-N 430.548 5.414 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)c1 1865934838 MECWIAUECJRHCS-LJQANCHMSA-N 426.516 5.627 30 10 IKEE CC(C)c1nc(Nc2ccccc2C#N)cc(N2CCO[C@H](c3cccc(Cl)c3)C2)n1 1868238131 KULPPJJHOGXHAX-NRFANRHFSA-N 433.943 5.447 30 10 IKEE CCCc1nc(Nc2ccc(C#N)cc2)cc(N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)n1 1868401444 ZNKWUUGJNKHZMK-XMMPIXPASA-N 439.607 6.683 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)Nc2c(C)cccc2CC)c(=O)cc1C 1870093178 KOLXNXGBYXYYAW-UHFFFAOYSA-N 440.628 6.186 30 10 IKEE N#Cc1nnn(-c2ccc(N3CCCCC3)cc2)c1NC(=O)c1ccc(-c2ccccc2)cc1 1870137628 TXSGNZITWBAERT-UHFFFAOYSA-N 448.530 5.049 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(F)cc2)c(CSc2nccn2C)cc1=O 1870251274 AENUYYFPVCTDEC-UHFFFAOYSA-N 443.588 5.411 30 10 IKEE CCCCCCCOc1cn(CC)c(CN2CCN(c3ccccc3Cl)CC2)cc1=O 1870410752 DMEOOGSPMBNZBK-UHFFFAOYSA-N 446.035 5.193 30 10 IKEE C=CCn1cc(OCc2ccc(OC)c(F)c2)c(=O)cc1CNc1cccc(Cl)c1C 1870806486 LSUIGTRBEXPZKJ-UHFFFAOYSA-N 442.918 5.335 30 10 IKEE C=CCOc1cn(CCCCCCCCCC)c(CNc2ccc3c(c2)OCO3)cc1=O 1870813036 TZVWMZIHLQECQP-UHFFFAOYSA-N 440.584 5.895 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)c(Cl)c2)c(=O)cc1CNc1ccc(C)c(C)c1 1870826014 NOERFYZZRHJZBT-UHFFFAOYSA-N 443.374 6.149 30 10 IKEE C=CCn1cc(OCc2cccc(Cl)c2)c(=O)cc1CNc1cccc(C(C)(C)C)c1 1870827003 DIWRDKVHNCYBOJ-UHFFFAOYSA-N 436.983 6.176 30 10 IKEE C=CCn1cc(OCc2ccc(CC)cc2)c(=O)cc1CNc1cc(Cl)cc(Cl)c1 1870889797 FXRLTFYYANERAK-UHFFFAOYSA-N 443.374 6.095 30 10 IKEE CCCCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CNc1ccccc1C 1871255915 UUZAJPNPDWVIOU-UHFFFAOYSA-N 440.672 7.334 30 10 IKEE CCCCCCCCCCN=c1nc2c(cnn2C)c(Nc2cccc(OC(C)C)c2)[nH]1 1871299063 QEDDALIHNQAFME-UHFFFAOYSA-N 438.620 5.869 30 10 IKEE Cn1cc(/C=C2\Oc3c(ccc4c3CN(C3CCCCCCC3)CO4)C2=O)c2ccccc21 1871348621 JLSTTWWDVPHBPE-YSMPRRRNSA-N 442.559 6.059 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1cccs1)O3)CN(CCCCc1ccccc1)CO2 1871354604 VILWASYOSCWOGR-HAHDFKILSA-N 431.557 5.848 30 10 IKEE CCOc1ccc(CC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871375309 FJIKBFNKZKGOLF-OYKKKHCWSA-N 428.484 5.466 30 10 IKEE Cc1c(OC(=O)c2cccc3ccccc23)ccc2c1O/C(=C\C=C\c1ccccc1)C2=O 1871377812 FHRPIQOLKRENDB-CKXZBRHHSA-N 432.475 6.540 30 10 IKEE C=CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(C)c2)C3=O)c1 1871388620 FYXIFLIPXCYWAV-OYKKKHCWSA-N 426.468 5.704 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccc(C)cc4)c3C)C2=O)c1 1871408270 QDPSRQWEPDGHAP-XHFXOGKZSA-N 443.499 5.334 30 10 IKEE CCCCCCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O 1871422335 WHVZKKXGJZSILR-BKUYFWCQSA-N 446.902 5.906 30 10 IKEE N#Cc1ccccc1COc1ccc2c(=O)c(-c3ccc(OC(F)(F)F)cc3)coc2c1 1871436952 DSRDIZRSXCSNNH-UHFFFAOYSA-N 437.373 5.809 30 10 IKEE CC(=O)c1cccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)c1 1871438532 CYGOYVFMJPJPOA-KSEXSDGBSA-N 447.874 5.176 30 10 IKEE CCOC(=O)Oc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 1872760534 QSZMFSUSZFVTCZ-OAQYLSRUSA-N 442.496 5.989 30 10 IKEE Cc1cc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc(C)c1Cl 1872776887 ZYVBIGSBYVPRIV-FQEVSTJZSA-N 438.980 6.459 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(C)cc3C)n2)cc1Cl 1872784989 BUTGMPDMZGGAJE-MRXNPFEDSA-N 426.925 5.344 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCCCC)=C(c2cccc3ccccc23)C1=O 1873027000 NKPJNLAGXJKCFM-UHFFFAOYSA-N 434.624 6.450 30 10 IKEE CCCCCCCCN1C(=O)C(NCCC2=CCCCC2)=C(c2ccc(C)c(C)c2)C1=O 1873140945 DIJGRJZIYOYDGU-UHFFFAOYSA-N 436.640 6.224 30 10 IKEE CSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1cccc2ccccc12 1874212512 QDGLKKKMDKUHNP-PCLIKHOPSA-N 436.968 5.700 30 10 IKEE CCCSc1nnc(CCc2ccc(OC)c(OC)c2)n1/N=C/c1cccc(Cl)c1 1874222278 NAELLXAAQFJCNY-BUVRLJJBSA-N 444.988 5.118 30 10 IKEE C=C(C)CSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1cc(C)ccc1O 1874269986 YTONFCRWCTVMSU-CVKSISIWSA-N 428.561 5.587 30 10 IKEE CCCOc1cccc(/C=N/n2c(COc3c(C)cccc3C)nnc2SCCC)c1 1874300036 FQVSGSFPAXRMGL-PCLIKHOPSA-N 438.597 5.647 30 10 IKEE C=CCSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1ccc(OCCC)cc1 1874329607 WKYKIRABGWNCNX-PCLIKHOPSA-N 436.581 5.423 30 10 IKEE CCCSc1nnc(Cc2ccccc2F)n1/N=C/c1cccc(Br)c1 1874376518 ADQARVLJRAFKOI-LPYMAVHISA-N 433.350 5.155 30 10 IKEE Fc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2/N=C/c2cccnc2)cc1 1874382114 ZCZMGVLYLVNLCL-VULFUBBASA-N 437.931 5.231 30 10 IKEE Fc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C/c2cccc(F)c2)cc1 1874398360 CEFRPWYQOBHBEX-JVWAILMASA-N 434.515 5.516 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(CC2CCCCC2)n1/N=C/c1ccc[nH]1 1874409480 ZGAXSGXLNQUEJW-DHRITJCHSA-N 448.423 6.210 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3ccccc3F)nnc2C2CCCC2)c1 1874455734 INKGBBKKTPDYKD-WGOQTCKBSA-N 438.572 6.038 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2ccc(C(C)C)cc2)c1 1874483932 VKTGQSAVTPOPJC-CVKSISIWSA-N 449.624 5.620 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2ccc([N+](=O)[O-])cc2)nnc1C1CCC1 1874494433 LPVVXPMEQUAAFY-BUVRLJJBSA-N 449.536 5.193 30 10 IKEE CCOc1cc(/C=N/n2c(S)nnc2CC(C)(C)C)ccc1OCc1ccc(F)cc1 1874560002 BFYHGCILHCARGB-AFUMVMLFSA-N 442.560 5.154 30 10 IKEE CC(C)(C)c1ccc(/C=N/n2c(S)nnc2COc2ccc(Cl)cc2Cl)cc1 1874569108 HORDSRYVSOZICZ-FOKLQQMPSA-N 435.380 5.632 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 1874571376 JVTVFMYLRZRKHT-UXBLZVDNSA-N 438.823 5.632 30 10 IKEE CCN(CC)C(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(Cl)cc1Cl 1874573425 NIYZMHGDSQCOGD-WEVVVXLNSA-N 440.754 5.790 30 10 IKEE O=C(/C=C/c1cc(Br)ccc1OCCc1ccccc1)c1ccc(F)cc1F 1874576941 OAUTWVCFQSBRPK-UXBLZVDNSA-N 443.287 6.245 30 10 IKEE CCc1ccc(NC(=O)COc2c(/C=C/C(=O)c3ccccc3OC)cccc2OC)cc1 1874576974 PISPPYTUINFPGU-SAPNQHFASA-N 445.515 5.180 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1 1874579955 QCVRVCLYKSKZGG-GXDHUFHOSA-N 441.354 7.257 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OCC(=O)Nc1ccccc1C 1874596135 OFMGJESCXJBZIS-XYOKQWHBSA-N 433.479 5.365 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3cc(C)cc(C)c3)c2)cc1 1874596515 XURXGIFHHYNPQN-MDWZMJQESA-N 443.543 6.006 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 1874599376 JZEPABSFAGJHQD-JXMROGBWSA-N 441.354 7.094 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCc3ccc(Cl)cc3)c2)c2ccccc12 1874601119 VHECVSYJFPVGDI-RVDMUPIBSA-N 428.915 6.977 30 10 IKEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1OC 1874602147 WVOOXATXDAUHBT-OQLLNIDSSA-N 430.500 5.590 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1 1874605887 KLPZKYUSHOWOFC-KPKJPENVSA-N 434.363 5.917 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-])Nc1ccccc1 1874612483 XAHFVFJNUCIBNE-PKNBQFBNSA-N 436.851 5.162 30 10 IKEE C=C(C)COc1c(Br)cc(/C=C/C(=O)c2ccc(OCCC)cc2)cc1OC 1874616955 BXGQIDNMNPYSBP-IZZDOVSWSA-N 445.353 6.098 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3)c([N+](=O)[O-])c2)c1 1874618191 ODJXYBFXDOVPHL-ZRDIBKRKSA-N 430.460 5.125 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc3ccccc23)c([N+](=O)[O-])c1)c1ccc(F)cc1 1874625287 WBPWHEAKMDCJBV-RIYZIHGNSA-N 427.431 6.362 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3OC)c([N+](=O)[O-])c2)cc1C 1875108285 HMFZDFNFTYEKTF-DHZHZOJOSA-N 447.443 5.036 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc([N+](=O)[O-])c1OC(=O)CC(C)(C)C 1875112975 OVRJRBNNSFOGGD-KPKJPENVSA-N 441.480 5.240 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(OC)c(OC(=O)c2ccccc2C)c(OC)c1 1875118943 WPPMSXZUYZHJGN-BUHFOSPRSA-N 432.472 5.136 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccn2)c(Br)c1)c1cccc(Cl)c1 1875121463 QTKSIBGZNBLEBB-VQHVLOKHSA-N 442.696 5.613 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1)c1ccc(Cl)cc1 1875123292 ZGVYWTNBAARHJA-KGVSQERTSA-N 442.254 6.017 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1[N+](=O)[O-])c1cccc(F)c1 1875124979 LGFTUONDCNUCBU-XBXARRHUSA-N 427.334 5.127 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(CC)cc1 1875125434 JAZGXZULWIVBTL-VIZOYTHASA-N 434.919 6.416 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)c1ccc(C)c([N+](=O)[O-])c1 1875140238 WVCJPUCPBPPIAI-DHZHZOJOSA-N 445.471 5.644 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)c1cccc(OC)c1 1875140619 OZJHIKPFBKQHCY-ACCUITESSA-N 430.500 5.826 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3OC)cc2)cc1 1875143646 KBZZNHMYIJJYHI-XNTDXEJSSA-N 444.527 5.837 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc1[N+](=O)[O-] 1875152087 MALBRFJXQJAPHE-DHZHZOJOSA-N 429.444 5.514 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OC(=O)c1ccccc1F 1875154578 MBCHNOSFWCIFLX-JQIJEIRASA-N 440.470 6.493 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cccc4ccccc34)cc2)cc1 1875156183 NQXJHCAIILDNAB-XDHOZWIPSA-N 434.535 7.007 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OC(=O)c1cccnc1 1875160174 DJOSMYZGTJTMSZ-DHZHZOJOSA-N 445.515 5.512 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3)c([N+](=O)[O-])c2)c1C 1875169089 IRKYQCWGDDYDRG-ZRDIBKRKSA-N 429.472 5.944 30 10 IKEE COCCOCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1Cl 1875184441 XHJNKLWIXNZGSN-JXMROGBWSA-N 444.955 5.410 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N1CCOCC1)n2CC(C)C 1875210223 PHRRYKKQVBJYNM-UHFFFAOYSA-N 443.636 5.112 30 10 IKEE C=CCCN(Cc1ccccc1)C(=O)c1csc(Br)c1Br 1886641690 FXAMOGLUZMZJOZ-UHFFFAOYSA-N 429.177 5.492 30 10 IKEE C=CCN(CC[C@H](NCC)c1cc(F)c(Br)cc1F)C(=O)OC(C)(C)C 1895073450 PSAAFIFTMYZHNF-KRWDZBQOSA-N 433.337 5.191 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1cc(C(F)(F)F)ccc1Br 1922070002 VRUHBVIAPGUXRT-FQEVSTJZSA-N 442.319 6.282 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CC[C@H](CCC)CCNC(=O)OC(C)(C)C)NCC 1922107054 IZCZVXYIMIYEKS-LADGPHEKSA-N 432.649 5.849 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@H](NC(=O)OC(C)(C)C)C1CCCCC1)NCCC 1922117859 DCPVXVPRWCYXSD-DQEYMECFSA-N 444.660 5.991 30 10 IKEE C=CCC1(NCc2cccc(Br)c2F)CCN(C(=O)OC(C)(C)C)CC1 1924553760 KCUMBXSGJNUVDK-UHFFFAOYSA-N 427.358 5.024 30 10 IKEE CC(C)(C)OC(=O)N1CCC([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)CC1 1944713966 PLCATHQTTLGBCV-LJQANCHMSA-N 433.524 5.106 30 10 IKEE CC1(C)C[C@@H]([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2)N(C(=O)OC(C)(C)C)C1 1945908247 OWITXFAKPCAJDN-OALUTQOASA-N 429.561 5.356 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]2CCCCN2C(=O)OC(C)(C)C)c1 2032405308 HQOVMKLHDJKEJL-VQTJNVASSA-N 445.560 5.118 30 10 IKEE CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2067959394 RKPVJHJXWHMHFS-CPJSRVTESA-N 449.636 5.874 30 10 IKEE Fc1c(-n2nc(C3CCC3)c(Br)c2C(F)(F)F)cccc1C(F)(F)F 2079006379 BWFSVNFDINLMLX-UHFFFAOYSA-N 431.149 6.079 30 10 IKEE C[C@@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)(F)F)c(C(=O)O)c1Br 2079972072 PRTQCFWJZNCQAI-YFKPBYRVSA-N 449.120 5.130 30 10 IKEE CCCOc1ccc([C@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C(C)(C)C)cc1 2080078832 YUCRKJRQVOLZBW-IBGZPJMESA-N 448.405 5.930 30 10 IKEE C=CCCCCCCCCC[C@H](O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2086281837 AQXHXHKHSVIJRO-VWLOTQADSA-N 446.676 6.071 30 10 IKEE Cc1cccc(CC(=O)C=Cc2ccc(NC(=O)OC(C)(C)C)cc2)c1Br 2144181141 MBCMXXRIOSNHFF-UHFFFAOYSA-N 430.342 5.930 30 10 IKEE C=CCC[C@H](C)[C@@H](NCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2158326623 DLQYKWPWMGXRNU-PWIZWCRZSA-N 439.438 5.465 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H](C2(Nc3cc(Br)c(C#N)cc3F)CC2)C1 2162335492 QFCMTYNYCXCOKN-CQSZACIVSA-N 438.341 5.051 30 10 IKEE C[C@@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)Nc1cc(Br)cc(F)c1C#N 2163707437 JVPCYGFDSQVCHD-XCLFUZPHSA-N 440.357 5.345 30 10 IKEE CC(C)(C)OC(=O)N1CCCC(C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)CCC1 2257000492 JDDSNCOJZNBLNF-UHFFFAOYSA-N 447.551 5.641 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)CC1 2259681911 QPSHNPWFZGTUOA-DEOSSOPVSA-N 447.551 5.641 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)c1cc(C)c(Br)s1 2262208434 XUCNGAZFGWBRNS-GOSISDBHSA-N 425.344 5.124 30 10 IKEE CC1(C)OB(c2csc(C(=O)Nc3cc(Cl)c(Cl)c(Cl)c3)c2)OC1(C)C 2282581843 NSDHEBFYIOMTGR-UHFFFAOYSA-N 432.565 5.260 30 10 IKEE C=CCN1C(=O)C(=Cc2cc(Cl)c(OCc3ccccc3C)c(OC)c2)SC1=S 2293168030 FNFQJJNVWSJUNZ-UHFFFAOYSA-N 445.993 5.623 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(OCc3ccccc3C)c(OCC)c2)SC1=S 2293279628 YAHOOWRCMBPIFH-UHFFFAOYSA-N 425.575 5.360 30 10 IKEE CCCCN1C(=O)C(=C2Sc3ccccc3N2CC)SC1=Nc1ccc(OC)cc1 2295178735 UAVDEMZBOXQRKS-UHFFFAOYSA-N 439.606 5.860 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O)c1ccccc1F 2314437070 BTGVZXOJQDXOLZ-UHFFFAOYSA-N 436.438 6.328 30 10 IKEE Cc1cc(OCc2ccc(Cl)c(Cl)c2)cc2c1C(=O)C(=Cc1cccc(Cl)c1)O2 2321787463 PNTFTUXERRSADZ-UHFFFAOYSA-N 445.729 7.150 30 10 IKEE CCCCCCCCN1COc2cc(C)c3c(c2C1)OC(=CC=Cc1ccccc1)C3=O 2322192703 KMDRICQSBJWFRZ-UHFFFAOYSA-N 431.576 6.680 30 10 IKEE COc1cccc(C=CC(=O)c2ccc3ccccc3c2)c1OCC(=O)Nc1ccccc1 2322328581 ZXJCRZAEDUQEER-UHFFFAOYSA-N 437.495 5.762 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(N(C)C)cc1)C3=O)CN([C@@H]1CCCC[C@@H]1C)CO2 2322391743 BDEVAFHLLCDFFE-GAJHUEQPSA-N 432.564 5.408 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Br)ccc1OCc1cccc(F)c1 2322477340 HIUUMRBSRMKAHI-UHFFFAOYSA-N 441.296 6.072 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccccc2F)cc1C 2322981258 AIGFQZSZTMYWAI-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCc2cc(C)ccc2C)c(OC)c1OC 2323028709 DMJSZKBBPZGVRP-UHFFFAOYSA-N 432.516 5.804 30 10 IKEE CCCCCCCCCOc1ccc(C=NNc2nc3ccc(C)cc3[nH]2)cc1OCC 2323201908 GEUKWDRGIKIHJF-UHFFFAOYSA-N 436.600 6.845 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccccc1OC(F)F)C2=O)c1cccc(F)c1 2323290976 YAZHJHJWBILLCU-UHFFFAOYSA-N 426.346 5.263 30 10 IKEE CCCCCCCCCOc1ccc(C=Nn2c(S)nnc2C(F)(F)F)c(Cl)c1 2323561254 VSWKUHGIRVFKGL-UHFFFAOYSA-N 448.942 6.251 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)c4ccc(OC(C)=O)cc4)ccc3C2=O)cc1 2323627392 UBXBVRITFRUUTO-UHFFFAOYSA-N 428.440 5.010 30 10 IKEE O=C(C=Cc1ccc(-c2ccccc2)cc1)Oc1ccc2c(c1)OC(=Cc1ccncc1)C2=O 2323647583 XUSJQBUXYGBNRM-UHFFFAOYSA-N 445.474 5.984 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc(Cl)c2)c([N+](=O)[O-])c1)c1ccc(F)cc1F 2323721296 HMMPBRVQPNJXOF-UHFFFAOYSA-N 429.806 6.002 30 10 IKEE C=CCOc1c(OC)cc(C=CC(=O)c2ccc(OCCC)c(OCCC)c2)cc1OC 2323744430 BPJHYFIARPROSP-UHFFFAOYSA-N 440.536 5.742 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccs2)C3=O)cc1 2323887688 RWQWBUGYHDVOBH-UHFFFAOYSA-N 434.469 5.207 30 10 IKEE CCN(CCc1ccncc1)Cc1c(O)cc(C)c2c1OC(=Cc1ccccc1Cl)C2=O 2324091024 NBEVOHJXTVVTRS-UHFFFAOYSA-N 448.950 5.430 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3)c([N+](=O)[O-])c2)c1C 2324349056 HGVVXXKKPSUHFU-UHFFFAOYSA-N 449.934 6.957 30 10 IKEE Cc1c(O[C@H](C)C(=O)Nc2ccc(Cl)cc2)ccc2c1OC(=Cc1ccncc1)C2=O 2324611447 RCPZCHAUCMBFTK-OAHLLOKOSA-N 434.879 5.066 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OCC(=O)Nc3cccc(Cl)c3C)ccc2C1=O 2325053722 RZGVMMPNZSNKKU-UHFFFAOYSA-N 439.920 5.652 30 10 IKEE COc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)c1cccc(Cl)c1 2325675260 GLDMZSIVYBKNSB-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE Cc1ccccc1CCC(=O)Oc1cccc(C=CC(=O)c2ccc(Cl)cc2Cl)c1 2325709552 BWCOQCOJLXSXIY-UHFFFAOYSA-N 439.338 6.736 30 10 IKEE CCc1cccc(CC)c1NC(=O)COc1ccc2c(c1)OC(=Cc1ccc(C)cc1)C2=O 2325718569 AGLORSQYKJLHGN-UHFFFAOYSA-N 441.527 5.754 30 10 IKEE CCc1cccc(CC)c1NC(=O)COc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O 2325718673 WQRUKQWHDBSKGV-UHFFFAOYSA-N 445.490 5.584 30 10 IKEE COc1ccccc1C=C1Oc2cc(OCC(=O)Nc3c(C)cc(C)cc3C)ccc2C1=O 2325736550 HHBABAPPNLNJIM-UHFFFAOYSA-N 443.499 5.254 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1OC(=O)Cc1cccs1 2325745760 BJSFGFARLLCJEE-UHFFFAOYSA-N 434.557 6.098 30 10 IKEE COc1cccc(CCC(=O)Oc2cccc(C=CC(=O)c3cccc4ccccc34)c2)c1 2325750086 YKZPLUZKDODPBV-UHFFFAOYSA-N 436.507 6.283 30 10 IKEE Cc1[nH]c2ccccc2c1C=Nn1c(C)nnc1SCc1c(Cl)cccc1Cl 2326514671 OYJQMCZZQLKGKN-UHFFFAOYSA-N 430.364 5.858 30 10 IKEE CCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1cc(Cl)c(O)c(Cl)c1 2326681283 OUSXOOBZTQUWOA-UHFFFAOYSA-N 446.363 5.289 30 10 IKEE Cc1cccc(CSc2nnc(Cc3cccc4ccccc34)n2N=Cc2ccco2)c1 2327724152 PZEFTABTWCIQLF-UHFFFAOYSA-N 438.556 6.098 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OC)cc2)n1N=Cc1ccc(Cl)c(Cl)c1 2329277878 HZUDSVBTGPQBKS-UHFFFAOYSA-N 447.391 5.735 30 10 IKEE C=C(C)CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1ccc(Cl)cc1Cl 2330103590 LLJYMVLVBQFZBD-HNNXBMFYSA-N 431.392 6.287 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(O)cc1 2330110747 DMUJMJIRIZADNL-KRWDZBQOSA-N 448.979 5.963 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccccc3Cl)cc2)c(OC)c1 2330910487 LZSLDYMSAITSBG-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1[N+](=O)[O-])c1ccc(Cl)cc1 2331092970 KFJHGIIIKLFBIB-UHFFFAOYSA-N 443.789 5.642 30 10 IKEE Oc1ccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2-c2ccco2)cc1 2331228522 BEVDDASKCZJBEP-UHFFFAOYSA-N 445.331 5.725 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1Cl 2331337784 ZSLMPZIPBODHLC-UHFFFAOYSA-N 430.947 7.340 30 10 IKEE Cc1cccc(C=Nn2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2C(C)(C)C)c1 2331364755 VIRAVMNWZBOFPV-UHFFFAOYSA-N 435.597 5.114 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OC(=O)C(C)(C)C 2331410950 WDULFHNNBHKGHI-UHFFFAOYSA-N 428.956 6.494 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)cc1)c1ccc2c(c1)OCO2 2331434659 JKKCHSZYPUNYKJ-NHCUHLMSSA-N 446.886 5.674 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(F)cc2)c(Cl)c1 2331661699 DOTBLZBEKJVWLG-UHFFFAOYSA-N 438.882 6.220 30 10 IKEE CCOc1cc(C=Nn2c(SCC)nnc2C(C)C)ccc1OCc1ccccc1C 2331690298 DGSRBMWKWVVFAT-UHFFFAOYSA-N 438.597 5.682 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)c1cccs1 2331708005 LHXYVDXYJCMQBT-UHFFFAOYSA-N 440.948 6.532 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)c1ccccc1 2331762662 ZJIWOXYODDODKN-UHFFFAOYSA-N 434.919 6.389 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccccc3F)c([N+](=O)[O-])c2)c(C)c1 2331769749 NDEHCVZTFKGZKL-UHFFFAOYSA-N 433.435 5.774 30 10 IKEE C=C(C)[C@@H]1CCC(C)=C[C@@H]1C1=C(O)C(NCc2ccccc2)=C(CCCCC)C(=O)C1=O 2333299633 CGGGAXJIRQSRPH-GMAHTHKFSA-N 433.592 6.123 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 5925806 AYMBOIMDNQPBQC-QHCPKHFHSA-N 447.918 5.830 30 10 IKEE Cc1ccccc1[C@H]1C2=C(CCCC2=O)Nc2nc(SCc3cccc(Cl)c3)nn21 9856510 YDQRHFWLDWPXQK-NRFANRHFSA-N 436.968 5.554 30 10 IKEE COc1ccc(/C=C2/S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)c2ccccc12 20247809 DIRWEOIETCYYAY-IXTCTEKTSA-N 442.584 6.785 30 10 IKEE CCOc1ccc([C@@H]2C3=C(C[C@@H](c4ccc(OC)cc4)CC3=O)Nc3onc(C)c32)cc1 21660453 IZMNHMUWDJVXOA-KOSHJBKYSA-N 430.504 5.349 30 10 IKEE CN(c1ccccc1)c1ccc(/C=C\C(=O)c2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-] 34870526 MJULQQBEXPUNPJ-UYRXBGFRSA-N 434.495 6.926 30 10 IKEE C=C(C)C(=O)NCCCc1nc2ccccc2n1CCCOc1ccc([C@H](C)CC)cc1 35145004 NRGPRYDJDTUWTL-OAQYLSRUSA-N 433.596 5.644 30 10 IKEE COc1ccccc1C(=O)O/N=C1\CC(C)(C)Cc2c1cc(C)n2-c1ccc(C)c(C)c1 39853143 LQBYHWVKTHDRKS-WEMUOSSPSA-N 430.548 5.945 30 10 IKEE C=CCOc1cccc([C@H]2c3c(-c4cc(Cl)ccc4O)n[nH]c3C(=O)N2CCCC)c1 39898484 YTPCNCYQWJYKDH-QHCPKHFHSA-N 437.927 5.346 30 10 IKEE C=CCc1ccccc1OCCCn1c(COc2ccc(CC)cc2)nc2ccccc21 40235124 BBBDKWILFAZTJU-UHFFFAOYSA-N 426.560 6.375 30 10 IKEE O=C1/C(=C/c2cc(Cl)ccc2O)S/C(=N/N=C\c2ccccc2)N1Cc1ccco1 47137319 DAGVJYYTVJQEMV-SKPWDWTKSA-N 437.908 5.145 30 10 IKEE CN(c1ccccc1)c1ccc(/C=N\c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 59392060 XGQHPCAAZBLXEF-COEJQBHMSA-N 445.591 7.996 30 10 IKEE C=CCN1C(=O)c2ccccc2N[C@@]1(CC)c1ccc(OCCCc2ccccc2)cc1 66133544 LJGKJVSJAQUZNQ-MUUNZHRXSA-N 426.560 6.015 30 10 IKEE O=C1C(c2ccccc2)=C[C@H]([C@H]2C=C(c3ccccc3)C(=O)c3ccccc32)c2ccccc21 90646811 QSTBAAQYVOEFBU-KYJUHHDHSA-N 438.526 7.114 30 10 IKEE CCCCCCCCCCCCCCCCNCC(=O)Nc1cccc(C(=O)NC)c1 100056019 SXDROMZSTDWTJT-UHFFFAOYSA-N 431.665 6.056 30 10 IKEE CCCCCCCCCCCCCCCCNCc1cccc(OC)c1OCCOC 100125418 AGWNHYQGCSPIGD-UHFFFAOYSA-N 435.693 7.291 30 10 IKEE COC1=CC(Br)=C/C(=C/Nc2ccc(-c3nc4ccccc4o3)cc2C)C1=O 136544193 YJOMVJUPXFYPCW-QINSGFPZSA-N 437.293 5.491 30 10 IKEE CCc1n[nH]c(=S)n1/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 139459040 GZCZEWKMTGLGOG-YVNNLAQVSA-N 437.352 5.280 30 10 IKEE CCN1C(=S)N[C@H](c2ccc(Oc3ccc(C(C)(C)C)cc3)cc2)C2=C1CCCC2=O 169933010 NNLMQAPGWOMXNQ-XMMPIXPASA-N 434.605 6.035 30 10 IKEE CN1C(=S)N[C@@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C2=C1CCCC2=O 169936882 KCRFKHBOODFNRS-NRFANRHFSA-N 447.387 5.441 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2cccc(C)c2)c1 169970794 XRGSKSMJBDIPGZ-XMMPIXPASA-N 443.499 5.191 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@H]1c1ccc(OC(C)C)cc1 169979065 NCDCIGCROSZDJY-XMMPIXPASA-N 449.547 5.177 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccc(OC(C)C)c2)s1 169979899 GZGNGQQMIIRUAB-OAQYLSRUSA-N 448.544 5.330 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@H]2c2cccnc2)cc1 170009490 OWBSPHMDRUNNMP-QFIPXVFZSA-N 448.906 5.225 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccccc2OC)=C(N(CC)c2ccccc2)C1=O 170060094 CIMWJNHMROAXSJ-UHFFFAOYSA-N 434.580 5.662 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@H]2c2ccco2)cc1 170090707 JQQGFPMYMVFQIS-QHCPKHFHSA-N 429.516 5.922 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@@H]1c1ccc(OC)cc1 170115879 DAVDTMGABFYFAQ-QHCPKHFHSA-N 437.536 5.108 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccs2)c1 170159105 ULUBEHJZQAZWCQ-QFIPXVFZSA-N 433.529 5.566 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cccs1 170161449 XUVPHMRQPYVGCV-QHCPKHFHSA-N 429.541 5.718 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccs2)c1 170163748 YLLVOUMNUBFLAY-JOCHJYFZSA-N 439.577 5.694 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@H]1c1ccccn1 170180978 RWAHCHYOFGSUBM-HSZRJFAPSA-N 436.552 5.372 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccncc2)cc1C(C)C 170203248 GFROEAXSJVAUHR-XMMPIXPASA-N 442.515 5.387 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccncc1)c1cc2ccccc2o1 170203708 IPCWBMGMKSBESQ-OAQYLSRUSA-N 430.847 5.264 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cccc(OCC)c1 170217709 JVWCBIUMBQMDHB-DEOSSOPVSA-N 433.548 5.343 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccc2)c1 170228685 WEYIJXNICSZXGL-HSZRJFAPSA-N 447.918 5.830 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccccc2F)c1 170248491 PAGHCUAKBSGGTP-QHCPKHFHSA-N 427.431 5.663 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2ccccc2)cc1 170265548 MBJGTYOPLUDHNH-SANMLTNESA-N 433.507 6.185 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)CCCO3)=C(O)C(=O)N1c1ccccc1 170272258 RRZVCFLBZWSHDN-DEOSSOPVSA-N 425.484 5.103 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2C)c1 170274148 ARWGGNDJDAXPLC-OAQYLSRUSA-N 437.879 5.029 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@@H]2c2ccco2)s1 170288848 HYSSDACIZNDKIF-QGZVFWFLSA-N 428.897 5.098 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccc(C)o2)cc1C 170305617 QCBCVJFIAFSTQQ-QHCPKHFHSA-N 431.488 5.386 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1sccc1C 170319249 CJXOLUHCWAGOST-HXUWFJFHSA-N 427.566 5.612 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2sccc2C)ccc1OC(C)C 170319725 UPRIVKOCVMNCDB-NRFANRHFSA-N 439.577 5.673 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(OC(F)(F)F)c2)[C@H]1c1ccccc1)c1ccccc1 170370773 MIHFSCAPTWGJSM-FQEVSTJZSA-N 439.389 5.368 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1cccc(Oc2ccccc2)c1 170455446 DYHWXIPNPSNACY-JOCHJYFZSA-N 447.556 6.051 30 10 IKEE CCCC[C@@H]1Nc2ncnc(N(CC)C3CCCCC3)c2N(Cc2cccc(C#N)c2)C1=O 249690754 KVDOVSMFNYIIAN-QFIPXVFZSA-N 446.599 5.025 30 10 IKEE Oc1ccc(Br)cc1C=Nc1nc(-c2ccccc2)cn1N=Cc1ccccc1 252593843 BNBBLDQDZZCMRB-UHFFFAOYSA-N 445.320 5.651 30 10 IKEE C=CCn1c(S[C@@H](C)C(=O)Nc2c(Cl)cccc2Cl)nnc1-c1ccccc1 253494532 XWAJIPYDUVQXTR-ZDUSSCGKSA-N 433.364 5.557 30 10 IKEE CCCCN1C(=O)/C(=C2\Sc3ccccc3N2C)SC1=Nc1cccc2ncccc12 254626005 ANCCVHAQGMXIID-GAUWVFOVSA-N 446.601 6.009 30 10 IKEE CCOc1ccc(-c2n[nH]c(=S)n2N=Cc2cccc(OCc3ccccc3)c2)cc1 254849878 YVTSYDJOBBLGTG-UHFFFAOYSA-N 430.533 5.468 30 10 IKEE CCCCCCCCC/C=C\COC(=O)/C=C/c1ccc(C=Nc2ccc(O)cc2)cc1 254870094 WPGZQBUUIIGDTG-OMKREXCPSA-N 433.592 7.396 30 10 IKEE CCCCCCCO[C@H]1[C@@H](N(C)CCCCCCC)[C@@H](O)C[C@H]1OCc1ccccc1 256515415 ZXVORAHNQMMMDB-YYGZZXRFSA-N 433.677 5.963 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Br)c1)NCCC 406782914 CCMPFPMWLWNYCL-MOPGFXCFSA-N 425.411 5.219 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526520674 JBHWPOJPZHEIDG-DEOSSOPVSA-N 426.491 6.052 30 10 IKEE Cc1ccc(SC2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 526659995 BNTWQHBUBFJEPF-UHFFFAOYSA-N 439.540 5.473 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(Cl)ccc2C)cc1O 526743889 GMEYFJZKBDGPOB-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE Cc1cc(C)cc(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccccc2F)c1 526808855 BCVHBXCSLIPQPE-QRQIAZFYSA-N 444.579 5.994 30 10 IKEE Cc1nnc(SCc2cccc(F)c2)n1/N=C\c1ccccc1COc1ccccc1 526825115 KAGPQQDTQBLAIF-YSMPRRRNSA-N 432.524 5.479 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)C[C@H]2CCCO2)cc1 586179749 HQWAJLRIRCWYDI-XMMPIXPASA-N 440.609 5.051 30 10 IKEE CCCCc1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2cc(C)ccc2OC)cc1 586245440 SDBTUWREUQRWHV-UHFFFAOYSA-N 448.588 5.613 30 10 IKEE CC(C)Oc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2ccc(Cl)cc2)cc1 586256522 LIOZRJSUNDVXKW-UHFFFAOYSA-N 440.952 5.394 30 10 IKEE C=CCOc1ccc([C@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 687743167 IVSCMWOHTZDHGU-VWLOTQADSA-N 443.499 5.306 30 10 IKEE COc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2C)cc1Br 698478259 RRDPCPQCVUAKDF-GOSISDBHSA-N 431.330 5.773 30 10 IKEE CC(C)(C)OC(=O)N(C1CC1)[C@@H](C#N)c1cc(Br)cc(Br)c1 698862248 UXEZPUAMSJQQMY-AWEZNQCLSA-N 430.140 5.176 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]([C@@](C)(C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)C1 699663757 ICNPQDGOEYEZRK-GAJHUEQPSA-N 449.617 5.415 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c1cccc(F)c1)C2 709362122 HHFCWTAHUJELQJ-UXSWERMXSA-N 445.535 5.249 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@]1(C#N)N(CC1CC1)C(=O)OC(C)(C)C 710769822 QZBUNGOBTAIWPH-WZOHSFFVSA-N 447.620 5.486 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@@H](C#N)c1ccc(Br)cc1Cl 710775610 FWHVIKUQFKQLDN-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE CC[C@](C#N)(CC1CCCCC1)N(C(=O)OC(C)(C)C)c1ccccc1Br 720368900 UOPCRUWZEDPWPO-JOCHJYFZSA-N 435.406 6.833 30 10 IKEE C=C1CCC(C[C@@H](NCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)CC1 724569391 HWMSKJJQKKROQM-TUACAJSNSA-N 430.633 5.600 30 10 IKEE COc1ccc(/C=C2\SC(=Nc3cccc(C(=O)O)c3)N(c3ccccc3)C2=O)cc1 1772738589 WNLLYWNZXWFMQO-NGZUUMTHSA-N 430.485 5.202 30 10 IKEE C=CCN(CC=C)C(=O)Oc1cccc2c(NC(=O)C3CCC(CCCC)CC3)cccc12 1858949875 GZMAQNGFABDHMD-UHFFFAOYSA-N 448.607 6.948 30 10 IKEE CCCCCNC(=S)N/N=C/c1c(C(C)C)nc2c(Cl)cc(C(F)(F)F)cn12 1860499895 ZTERNISOYLPOAI-PGGKNCGUSA-N 433.931 5.118 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cccc(O)c1)c1ccc(Cl)cc1Cl 1862383896 YNGYCKBSRFSINQ-FQEVSTJZSA-N 446.330 5.610 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2C)cc1 1862389993 SHLYHWWAEVWSKG-XMMPIXPASA-N 445.584 6.178 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccccc2F)c1 1862429038 DWAIITWWOVLDJP-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc(C)c1 1862429220 IRGCIDXXMGWEMY-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(F)cc1 1862430029 ANSUAAGQERVYCI-OAQYLSRUSA-N 445.918 5.264 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1Cl)c1c(F)cc(F)cc1F 1862463375 GPUKPDKNVHNDMW-HXUWFJFHSA-N 449.856 5.668 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc(Cl)c1 1862477086 SAYFZDKKGYYKQW-GGAORHGYSA-N 439.983 6.586 30 10 IKEE COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCCCC2)ccc1O 1862480522 IOXOBHYFUUWIQA-HSZRJFAPSA-N 435.520 5.010 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2cccc(C)c2)c1 1862489059 NUDLHOFIDDEYJI-VWLOTQADSA-N 441.527 5.399 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(C(C)(C)C)cc1 1862493937 BAHHQQGQMKUCBG-XMMPIXPASA-N 433.592 6.369 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cc(Cl)cc(Cl)c1 1862498224 CLEDNLCQXHTBIH-NRFANRHFSA-N 446.374 6.379 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1cccc(F)c1 1862530611 UMBIHTLYNILMRR-LADGPHEKSA-N 437.555 6.325 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2cccc(Cl)c2)c1 1862560244 FXMLMHZEKBTCCM-HSZRJFAPSA-N 446.934 5.133 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2c(Cl)cccc2Cl)c1 1862563166 XJRSIZBKSTWFJB-IBGZPJMESA-N 431.319 5.097 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cccc2ccccc12 1862630937 FGDODEJEADSNKT-XMMPIXPASA-N 443.499 5.193 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc(F)cc2)cc1F 1862638256 XLAFKYLFASJULM-JSVDNDDVSA-N 441.474 5.130 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2ccccc2F)cc1F 1862639242 UKYIRGVLIQFCIW-HSZRJFAPSA-N 449.453 5.060 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccc1 1862648462 BOTCHUOCKVOTRH-GJZUVCINSA-N 441.571 6.777 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(N(C)C)cc1 1862664633 NJEMAWNGTIKYEI-VWLOTQADSA-N 448.607 6.035 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(OCC)cc1 1862666175 XLEDJWYNZSRBNU-XMMPIXPASA-N 435.564 5.977 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(N(CC)CC)cc1 1862668345 WSIWHNJNWKMFIN-XMMPIXPASA-N 432.564 5.421 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(F)cc1 1862702517 FIVROGMZYOGYJQ-NZQKXSOJSA-N 439.527 5.772 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1c(Cl)cccc1Cl 1862705939 JWKIOKLPHVIOTJ-HXPMCKFVSA-N 434.319 5.379 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(F)cc1F 1862712390 PXLBCZALGGZGNX-HSZRJFAPSA-N 435.470 5.742 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@H]1c1ccccc1)c1ccc2ccccc2c1 1862713353 NDLDRNBUQSJDQC-MHZLTWQESA-N 447.534 6.051 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(F)c(Cl)c3)C2=O)c1 1863023527 SMIDMTQGZXTHLP-UHFFFAOYSA-N 445.881 5.364 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccccc3Cl)C2=O)c1 1863067882 GSMYHKXNVUQBNL-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Br)cc2Cl)=C(c2ccc(C)c(C)c2)C1=O 1863258095 MJUGEHZDGGMUOI-UHFFFAOYSA-N 445.744 5.097 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C(C)C)cc2)=C(c2ccc(OC)cc2)C1=O 1863329514 LDGYNCLCFRDOPI-UHFFFAOYSA-N 448.607 6.371 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2OC)=C(c2cc(C)ccc2C)C1=O 1863398834 BNZUFRUTVKRYGT-UHFFFAOYSA-N 434.580 5.865 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCC(C)C)=C(c2ccc(OCC)cc2)C1=O 1863568739 NWMAZJHZCRKSOC-UHFFFAOYSA-N 428.617 5.552 30 10 IKEE CCCCCCCCNC1=C(c2ccc(C)cc2)C(=O)N(CCOc2ccccc2)C1=O 1863617121 PGJDIOBXJDYHKC-UHFFFAOYSA-N 434.580 5.104 30 10 IKEE COCCc1nc(Nc2ccccc2C#N)cc(N2CCC[C@H]2Cc2ccc(Cl)cc2)n1 1868262376 SRZBYCSDYNVTQB-NRFANRHFSA-N 447.970 5.146 30 10 IKEE N#Cc1ccc(Nc2cc(N3CCO[C@H](c4ccccc4)C3)nc(-c3ccccc3)n2)cc1 1868376642 PZSYUPMUMHVQJC-DEOSSOPVSA-N 433.515 5.337 30 10 IKEE C=CCN(CC=C)c1cc(N2CCN(C)[C@@H](c3ccccc3)C2)nc(-c2ccc(C)cc2)n1 1869173117 PSEOZLHFINWURT-RUZDIDTESA-N 439.607 5.124 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC[C@H](Oc3ccccc3)C2)nc(-c2ccccc2)n1 1869214064 LVWNBIVHDIKVJD-DEOSSOPVSA-N 426.564 5.370 30 10 IKEE CCCCCCCOc1cn(Cc2ccccn2)c(CN2C[C@@H](C)C[C@@H](C)C2)cc1=O 1870414782 ZVWDOQDPDCSBGM-SZPZYZBQSA-N 425.617 5.119 30 10 IKEE C=CCOc1cn(CCCCN2CCCC2)c(CNc2ccc(CCCC)cc2)cc1=O 1870812521 WCVOJKKZBNVOBX-UHFFFAOYSA-N 437.628 5.244 30 10 IKEE CCCCCCCOc1cn(CCC(C)C)c(CNc2ccc(Cl)cc2C)cc1=O 1870833437 IXFAEMSNKFNXTL-UHFFFAOYSA-N 433.036 6.818 30 10 IKEE CC(C)CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1cccc(Cl)c1 1871252241 QCURFTWXHCRIQN-UHFFFAOYSA-N 435.955 5.611 30 10 IKEE CCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CNc1cccc(Cl)c1C 1871257643 JRCQLPFWVCMUPB-UHFFFAOYSA-N 447.063 7.208 30 10 IKEE Cc1c(OC(=O)/C=C/c2cccs2)ccc2c1O/C(=C\c1ccc3c(c1)OCO3)C2=O 1871381120 OYLLMZZKCSVVDK-SJBQCXTDSA-N 432.453 5.020 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccncc1)C2=O 1871401558 GYMBKFMTDNPXKK-OYADDEIPSA-N 442.515 5.283 30 10 IKEE COc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 1871412642 XPFPMHMYIAHSFK-NVJVMGTNSA-N 441.483 5.274 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2F)C3=O)c(C)c1 1871418594 BEWDGFGIVNAONO-FMCGGJTJSA-N 431.463 5.385 30 10 IKEE CC[C@@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1cc(Br)cc3c1OCOC3)C2=O 1871420731 BCLOKDYZQQRUOC-OPCBQMRQSA-N 445.309 5.418 30 10 IKEE Cc1cccc(C(C)C)c1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O 1871422262 IDUZTDZKRIOCCY-CFRMEGHHSA-N 445.490 5.891 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 1871432155 WMVZRWZPHTXENE-QRAWFLTRSA-N 445.490 5.773 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O)Nc1ccc(F)c(Cl)c1 1871441573 RIQQDXJSHZOOKR-NKVSQWTQSA-N 441.817 5.252 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4)ccc3C2=O)cc1 1871459936 MBZFLPQBNKKRCV-XYGWBWBKSA-N 442.515 5.167 30 10 IKEE C=CCN(CC=C)c1nc(=NCCCCCCCCCC)nc(Nc2ccc(O)cc2)[nH]1 1871718412 IOUBIGWQNMCOIU-UHFFFAOYSA-N 438.620 5.474 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1cc(C)ccc1C 1871755171 OQKMPSIKZZHRCJ-QHCPKHFHSA-N 442.625 5.232 30 10 IKEE N#C[C@@H](C(=O)COc1ccc(Cl)cc1Cl)c1nc(-c2ccccc2Cl)cs1 1872764840 ZLWANKNJQPCYFN-ZDUSSCGKSA-N 437.735 6.026 30 10 IKEE CCCCCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3cc(C)ccc3OC)cs2)cc1 1872770929 IHAFXMJZJCHCHC-JOCHJYFZSA-N 448.588 6.576 30 10 IKEE Cc1ccc(C)c(OCC(=O)[C@@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)c1C 1872787737 QLMNSUUWIKHXGB-QGZVFWFLSA-N 445.371 6.297 30 10 IKEE COC(=O)c1cccc(NC(=O)c2cccc(CSc3nc(C)c(C)c(C)c3C#N)c2)c1 1872893252 OFAFLTQLFGGJHZ-UHFFFAOYSA-N 445.544 5.210 30 10 IKEE Cc1nc(SCc2ccc(C(=O)NCCCCc3ccccc3)cc2)c(C#N)c(C)c1C 1872895501 YCFIEPYIFBIOCA-UHFFFAOYSA-N 443.616 5.924 30 10 IKEE CCCCCCCCNC1=C(c2cccc3ccccc23)C(=O)N([C@@H]2CCCC[C@@H]2C)C1=O 1873025640 OGTMZRYGXRBEHW-SQJMNOBHSA-N 446.635 6.449 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCOC(C)C)=C(c2ccccc2C)C1=O 1873099019 KJLGEALKVBQSQI-UHFFFAOYSA-N 442.644 5.620 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C#N)c2)=C(c2c(C)cc(C)cc2C)C1=O 1873331825 ZPAUCAHCFFDHJQ-UHFFFAOYSA-N 443.591 6.036 30 10 IKEE COc1cccc(/C=N/Nc2oc(-c3ccccc3)nc2C#N)c1OCc1cccc(C)c1 1873471052 VMJNDYLMOJVCFT-LQKURTRISA-N 438.487 5.555 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1 1873935220 MCMBYDIUNVHFQZ-OAQYLSRUSA-N 449.591 6.484 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccccc3Cl)n2/N=C/c2ccccc2)c1 1874266250 NOMHETMKHJGNFM-CVKSISIWSA-N 448.979 5.993 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCC)nnc1C1CCC(CCCC)CC1 1874284845 BBOLMZNBUANAMP-XIEYBQDHSA-N 426.630 6.301 30 10 IKEE CCCCC1CCC(c2nnc(SCC(=O)OC)n2/N=C/c2ccccc2C)CC1 1874287389 CDMPRMBSLBDLJD-BUVRLJJBSA-N 428.602 5.198 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccccc3Cl)n2/N=C/c2ccco2)cc1 1874367494 FQCQWRLKRUKIIB-FSJBWODESA-N 429.332 6.019 30 10 IKEE COc1cccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCc2cccc(C)c2)c1 1874378248 KAMRWDXMLZIRAE-JVWAILMASA-N 446.551 5.500 30 10 IKEE CCCSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1c(OC)ccc2ccccc12 1874381214 HXOOWIONRZTOEH-WGOQTCKBSA-N 434.540 5.554 30 10 IKEE Cc1ccc(CSc2nnc([C@H](C)c3ccccc3)n2/N=C/c2ccccc2Cl)cc1 1874392183 GKRDIPUPPGXFDO-BWJYWGHISA-N 447.007 6.566 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2F)n1/N=C/c1ccc(O)cc1 1874395520 OQHYCGSHZASSQO-AEIQVQRHSA-N 432.524 5.449 30 10 IKEE Fc1ccc(CSc2nnc(Cc3cccs3)n2/N=C/c2ccccc2F)cc1 1874410266 LFSWEXJBKHSMLD-ZMOGYAJESA-N 426.517 5.383 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CCCC2)c(F)c1 1874456069 ZEITYRFGZDNPCO-BRJLIKDPSA-N 432.927 6.042 30 10 IKEE Clc1ccc(CSc2nncn2/N=C/c2ccc(Br)cc2)cc1Cl 1874540689 VSRGTVNCCCCZCV-ODCIPOBUSA-N 442.169 5.522 30 10 IKEE Cc1ccc(COc2cccc(/C=N/n3c(S)nnc3CCc3ccccc3C)c2)cc1 1874562203 IKVISXQAUVSNMT-WPWMEQJKSA-N 442.588 5.430 30 10 IKEE Cc1ccc(C)c(COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(Cl)cc2Cl)c1 1874573575 VDOSOJGZQWETGG-WEVVVXLNSA-N 445.773 7.739 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)c1OCc1cccc(F)c1 1874590651 PNLQSYBURRTJMJ-FYWRMAATSA-N 432.535 6.915 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)c2ccccc12 1874592386 WMSSOZYRMXOMEL-FOWTUZBSSA-N 439.467 6.232 30 10 IKEE C=C(C)COc1c(OC)ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)c1Br 1874597383 IVTYYQVONDFBRH-QPJJXVBHSA-N 431.282 5.037 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc(OC)c1OCc1ccccc1 1874604426 LYOQTHNPHNTKCQ-WYMLVPIESA-N 444.527 5.916 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc(OC)c1OCc1cccc(F)c1 1874606857 JZYSUQNTHJFQOP-ZRDIBKRKSA-N 446.518 6.355 30 10 IKEE O=C(/C=C/c1ccc(OCc2c(F)cccc2Cl)c(Cl)c1)c1ccccc1Cl 1874608947 PFHUMLIOFBWTEL-CSKARUKUSA-N 435.709 7.261 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(OC)c1OCc1cc(C)ccc1C 1874611677 PZEZACZFADVTDF-JXMROGBWSA-N 438.470 6.074 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1cc(C)ccc1C 1874622751 TTXAAUFSGMVMQO-OQLLNIDSSA-N 428.572 7.085 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OCC(=O)N(CC)CC 1874629526 HIPGPPRUSWYDNE-ACCUITESSA-N 437.580 5.462 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1C 1874637740 PGGXOFJKSCRBAQ-PKNBQFBNSA-N 436.935 6.449 30 10 IKEE CCCCCCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(C)CC1 1874640557 KMLUGOYXOOHBKI-XMMPIXPASA-N 425.617 5.204 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 1874694679 OVVVITSCAXDYCL-UKTHLTGXSA-N 431.444 5.281 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2)cc1OC(=O)c1ccc(Cl)c(Cl)c1 1874700817 OJWALPHBLFDQPN-YRNVUSSQSA-N 427.283 6.117 30 10 IKEE Cc1cc(C(=O)/C=C/c2cccc(OC(=O)CCCOc3ccccc3C)c2)ccc1F 1874703990 RLCMDHWDFVCOTR-NTCAYCPXSA-N 432.491 6.103 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)C(C)(C)C)c2)cc1Cl 1874711456 BGOJWLCQTQCEHN-VQHVLOKHSA-N 432.900 5.213 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)COCc3ccccc3)c2)cc1Cl 1874716794 KACBMDVMZMGRKV-ZRDIBKRKSA-N 436.891 5.367 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(OC)cc2)CSc2nnc(C3CC3)n21 1874842630 CUFPPUMYEUMIKT-HXUWFJFHSA-N 428.602 5.226 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](C(C)(C)C)CSc2nnc(CC3CCCCC3)n21 1874969132 UCQIYOIGURSUIW-HXUWFJFHSA-N 434.694 6.137 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1F 1875094152 DPUDCNVBAMEHKO-ZRDIBKRKSA-N 435.407 5.248 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)C(F)(F)F)c(Br)c2)cc1C 1875108426 OPXXVRPGEVEKMT-ZZXKWVIFSA-N 443.215 5.130 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)c3ccccc3)c(OC)c2)cc1C 1875109054 UGNBZQZJZXAMJV-QHSLDKKCSA-N 430.500 5.617 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc([N+](=O)[O-])c1OC(=O)[C@@H](C)c1ccccc1 1875127143 QENAXVLIBZUOHU-JJJPLKNQSA-N 445.471 5.599 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3[N+](=O)[O-])cc2)cc1 1875148959 RASUUPBHBKJUBV-LICLKQGHSA-N 443.499 5.937 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OC(=O)c1cccc(F)c1 1875154680 QVPZSCBFYJNNKW-FYWRMAATSA-N 440.470 6.493 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)c1cccc(C)c1 1875155934 WNDUDEIZDBZKGO-NTEUORMPSA-N 444.527 6.251 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cc(Cl)c(OC(=O)C(C)C)c(OC)c1 1875161589 XPEQYCXLVOJXLQ-CSKARUKUSA-N 444.955 6.112 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(OCC)ccc2OCC)cc1OCC 1875172971 PSCPNFAVBNVCPS-SDNWHVSQSA-N 440.536 5.874 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)Cc1ccccc1 1875176026 SIESCDDZAYBTIV-ZRDIBKRKSA-N 434.919 6.010 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N1CCC(C)CC1)n2CC(C)C 1875210970 UZVNWRSUCFQZGC-UHFFFAOYSA-N 427.637 5.732 30 10 IKEE C#CC[C@H](C)C[C@@H](NCCC)c1cc(Br)ccc1I 1887488210 GGWPEFMRKHKOSW-BLLLJJGKSA-N 434.159 5.144 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)CCCSc3ccc(F)cc3)ccc21 1890685994 GLIJNQGWBOHEPN-UHFFFAOYSA-N 442.556 5.274 30 10 IKEE Cc1c(C(=O)N2CCC(CN(C)c3ncccc3C#N)CC2)sc2ccc(Cl)cc12 1891059109 VNIDAGPWECEBGG-UHFFFAOYSA-N 438.984 5.118 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](O)c1c(Cl)ccc(Cl)c1Cl 1922074594 OPTAOKJMGUWEKO-SFTDATJTSA-N 428.787 5.821 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@H]1CN(C(=O)OC(C)(C)C)CCC12CCC2 1922084942 DQYVFRWQLDOUQO-DHIUTWEWSA-N 428.617 5.165 30 10 IKEE C=C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C1CC1)[C@H](CC(C)C)C(=O)O 1927550287 KESGPCQUBBCPLH-SHQCIBLASA-N 433.548 5.607 30 10 IKEE CC[C@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1938158448 XZQFJSZEOAGGOK-QAPCUYQASA-N 437.968 5.525 30 10 IKEE CCCCCCCC[C@@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCC 1947479638 PXQMSLZCGRYFBF-ZEQRLZLVSA-N 434.665 6.215 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CCC[C@H]2C[C@H]21 1949668492 QMWAXFCRISIQMR-LNEBKTTKSA-N 428.617 5.211 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1C[C@H]2C[C@H]1CN(C(=O)OC(C)(C)C)C2 1998007730 UQBCSCUNDAEKMW-UEQSERJNSA-N 428.617 5.021 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 2016224488 KAKVYDKYFWEQJK-SBUREZEXSA-N 449.617 5.415 30 10 IKEE CC(C)(C)OC(=O)N1CCC(C[C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)CC1 2045575182 OCTFABKPBFCNOJ-HXUWFJFHSA-N 447.551 5.497 30 10 IKEE C=C1CC[C@H](O)CC1=CC=C1CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@H](C)C=C[C@@](C)(O)C(C)(C)O 2053621863 BPEQZNMKGFTMQE-FBAKCPIFSA-N 428.657 5.871 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Br)ccc1Cl)NCCC 2063091043 YOCMPSYVDIPEAU-DLBZAZTESA-N 431.802 5.093 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@H](NC(=O)OC(C)(C)C)C2(C)C)cc1 2066218170 LSSBMCGRUXCKGJ-UUOWRZLLSA-N 445.560 5.022 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@]1(C#N)C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 2070328366 QHUKAJHSKMPSBR-YQNORIIPSA-N 438.612 6.224 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(Br)ccc(Cl)c1F 2102883054 UXQYTPQEESZRFD-RHSMWYFYSA-N 447.776 5.199 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1CCNc1cc(Br)cc(F)c1C#N 2107443805 OQKXDMPYDDVVLS-CQSZACIVSA-N 426.330 5.051 30 10 IKEE C=CCN(CC[C@H](Cc1cc(Br)ccc1Cl)NCC)C(=O)OC(C)(C)C 2110506455 KHBNPZXZEPDCFS-QGZVFWFLSA-N 445.829 5.436 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C=O)(Cc1cc(Br)ccc1Cl)C2 2110524693 VFSKKKWQIKSUIB-HOTGVXAUSA-N 442.781 5.392 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1cc(Br)c2c(c1)OCCO2 2164267135 ZGJLQJGHPUKERL-OAQYLSRUSA-N 432.358 5.034 30 10 IKEE CC(C)(C)OC(=O)N1CCCC(C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)CCC1 2257006941 HAHWBKRURATIBQ-UHFFFAOYSA-N 449.636 6.020 30 10 IKEE Cc1cccc(NC(=O)OC(C)(C)C)c1C(=O)Nc1cc(Br)ccc1C#N 2283402555 UYLSUYVWWFMLLG-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1c1c(Br)cccc1C#N 2285220772 NPDOXZBMHAKDQG-ZWKOTPCHSA-N 434.378 5.079 30 10 IKEE C=CCCCCCC[C@H](OCCN)c1cc(Br)c(Br)s1 2294014850 HTOBXWPLUSTMNV-ZDUSSCGKSA-N 425.230 5.816 30 10 IKEE CCCN[C@H](C#CC1(SC)CCC1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2299653309 FGJPXSDILZQQQQ-QHCPKHFHSA-N 444.685 5.861 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=Nc1ccccc1 2313510553 QSZMDHXFLDWPAM-UHFFFAOYSA-N 431.473 5.645 30 10 IKEE Cc1cccc(CSc2nncn2N=Cc2ccccc2OCc2ccccc2Cl)c1 2321250731 GSVCOOVFVXOOOA-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE Cn1c(C=Nn2c(SCc3ccccc3F)nnc2C(F)(F)F)cc2ccccc21 2321820417 FJVQAHJPFDBSDV-UHFFFAOYSA-N 433.434 5.102 30 10 IKEE CC[C@H](C)N1COc2ccc3c(c2C1)OC(=Cc1cc(Br)ccc1OC)C3=O 2322092070 KHHSJXOMGQWTLE-ZDUSSCGKSA-N 444.325 5.024 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)O3)CN(C1CCCCCCC1)CO2 2322178881 AUXLHPPBJOECJZ-UHFFFAOYSA-N 448.519 5.784 30 10 IKEE CCCCCCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccccc1OCC)C3=O 2322192679 CGOJWVYLLZWHLN-UHFFFAOYSA-N 449.591 6.522 30 10 IKEE Cc1ccc(C)c(COc2ccc3ccccc3c2C=CC(=O)c2ccc3ccccc3c2)c1 2322318058 BANJPMWEZVYOMR-UHFFFAOYSA-N 442.558 8.085 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccc(C)cc2C)cc1C 2322981424 OZEMJEYFLWHYRQ-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE CC(C)=C1Oc2c(ccc(OC(=O)C=Cc3ccc(OCc4ccccc4)cc3)c2C)C1=O 2323012687 DFLZDXJTBOMRIJ-UHFFFAOYSA-N 440.495 6.062 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc3c(c2)OC(=Cc2sccc2C)C3=O)cc1 2323075971 FGGPPSXFANAZEV-UHFFFAOYSA-N 436.485 5.056 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc(C)c2C1=O 2323232430 CSKYYEVZXZPDSR-UHFFFAOYSA-N 449.846 5.700 30 10 IKEE Cc1cc(OC(=O)c2cccc([N+](=O)[O-])c2C)cc2c1C(=O)C(=Cc1cccc(Cl)c1)O2 2323260670 KUSALFAIPXZYBE-UHFFFAOYSA-N 449.846 5.700 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc3ccccc23)cc1)c1ccc(-c2ccccc2)cc1 2323341862 WTWWGJKLCARHCI-UHFFFAOYSA-N 440.542 7.982 30 10 IKEE O=C(C=Cc1ccc(OCCc2ccccc2)c(Cl)c1)c1ccc(-c2ccccc2)cc1 2323351728 DXLXMIZPCQHQTN-UHFFFAOYSA-N 438.954 7.525 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c([N+](=O)[O-])c2)cc1C 2323562402 JHANJDPBBSLBMU-UHFFFAOYSA-N 448.431 5.295 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccncc2)C3=O)c(OCC)c1 2323784527 JPCWGDZMVYFHEO-UHFFFAOYSA-N 445.471 5.023 30 10 IKEE Cc1cc(O)c(CN2CCCC[C@H]2C)c2c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O2 2324010311 CPLJKMVSVYBRNR-CQSZACIVSA-N 432.347 5.998 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OCC(=O)NCCC 2324077456 HYRLNEIVZXTFTA-UHFFFAOYSA-N 449.591 5.522 30 10 IKEE Cc1cccc(COc2ccc(C=CC(=O)c3ccc(F)cc3)cc2Br)c1 2324187022 BLCIDLLRYPSKTB-UHFFFAOYSA-N 425.297 6.372 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OCc1ccc(C)cc1 2324280892 RSVOATWWPLYGIJ-UHFFFAOYSA-N 444.571 6.919 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccccc4C)cc(C)c3C2=O)cc1 2324407119 JRMZDAIMECYKIF-LJQANCHMSA-N 427.500 5.634 30 10 IKEE CCOc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccccc3Cl)cs2)cc1OC 2324425943 LDFRDTWVZBICKA-KRWDZBQOSA-N 438.936 5.760 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1ccco1)C2=O 2324514593 NXLXGZYISYROKJ-OAHLLOKOSA-N 437.879 5.572 30 10 IKEE Cc1cc(-c2csc([C@H](C#N)C(=O)C(=Cc3ccccc3)c3ccccc3)n2)ccc1F 2324563817 DIMRWXOLBWINBO-HSZRJFAPSA-N 438.527 6.675 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OCc3cccc(Cl)c3)c(OC)c2)cc1C 2324648243 VABBMBBBQFMFLY-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CCc2ccc(OC)cc2)nnc1SCCC 2325424615 HKVHKCGHPYVHMV-UHFFFAOYSA-N 436.581 5.021 30 10 IKEE Oc1cccc(C=Nn2c(CCc3ccccc3)nnc2SCc2cccc(Cl)c2)c1 2325467707 GOOVGNHOYZYXMW-UHFFFAOYSA-N 448.979 5.597 30 10 IKEE CCOc1ccc(C=CC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OCC 2325642560 JVECEJZMXRRZHT-UHFFFAOYSA-N 441.833 5.377 30 10 IKEE CCCCC1CCC(C(=O)Oc2cccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)c2)CC1 2325686630 UYNCLMGEWZTAIS-UHFFFAOYSA-N 435.520 6.393 30 10 IKEE O=C(Cc1ccc(F)cc1F)Oc1cccc(C=CC(=O)c2ccc3ccccc3c2)c1 2325700075 VBYVRTANIPFDQL-UHFFFAOYSA-N 428.434 6.162 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccc2c(c1)CCCC2 2325701607 ASEJNZGAZSMYHE-UHFFFAOYSA-N 427.456 5.589 30 10 IKEE COc1cccc(CCC(=O)Oc2cc(C=CC(=O)c3cccc(OC)c3)ccc2OC)c1 2325706933 ZTBWEXBUDYVVNI-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE Cc1cc(OCC(=O)Nc2cccc(Cl)c2)cc2c1C(=O)C(=Cc1ccccc1F)O2 2325717198 NLDOAIVTSATDHP-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3c(OC)cccc3OC)c2)cc1 2325734697 ZNCWNQVCJXISNL-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1OC(=O)c1ccccc1C 2325746012 FGIYTMHDTMEOLO-UHFFFAOYSA-N 428.528 6.416 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC(=O)CCc2ccccc2)c1 2325765794 FCAWLKAPSJQXCU-UHFFFAOYSA-N 426.556 6.727 30 10 IKEE CCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1N=Cc1cccs1 2325808851 ISXFHDOHKPWQAW-UHFFFAOYSA-N 435.018 5.616 30 10 IKEE CCOc1cc(C=Nn2cnnc2SCc2ccc(C)cc2C)cc(Cl)c1OC 2326432540 WXSCUHFFYVCESU-UHFFFAOYSA-N 430.961 5.130 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2N=Cc2cccs2)c(C)c1 2326460738 MBOVQFASFLKUDR-UHFFFAOYSA-N 432.618 5.916 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1cccc(Cl)c1 2326524989 LIKOJMMCOXMMDT-UHFFFAOYSA-N 447.391 6.023 30 10 IKEE C=CCSc1nnc(Cc2ccc(OC)c(OC)c2)n1N=Cc1ccc(C(C)C)cc1 2326766311 AHKDWDWWZOIGPE-UHFFFAOYSA-N 436.581 5.170 30 10 IKEE C=C(C)CSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1sccc1C 2327272408 VTBWREGWYHLCMT-UHFFFAOYSA-N 426.611 5.703 30 10 IKEE Fc1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCc2ccc(F)cc2)cc1 2329808219 YXTCPVKMUXLVPW-UHFFFAOYSA-N 438.478 5.461 30 10 IKEE Fc1ccc(C=Nn2c(COc3ccccc3)nnc2SCc2ccccc2)c(F)c1 2329918754 OMYHSHMYXSZOFC-UHFFFAOYSA-N 436.487 5.310 30 10 IKEE CCCSc1nnc(CCc2ccccc2)n1N=Cc1c(OC)ccc2ccccc12 2330206901 LASDQOZUIDINJA-UHFFFAOYSA-N 430.577 5.609 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3ccccc3C)nnc2-c2cccs2)c1 2330537769 WGTDRVVRRVBQEA-UHFFFAOYSA-N 448.617 6.278 30 10 IKEE CCCOc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccc(C)cc2)cc1 2330801499 SRJAZQUMHQBEBY-UHFFFAOYSA-N 436.625 6.138 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2ccccc2F)nnc1[C@@H]1CCCO1 2330961075 IJTRGRYMHKWTGS-NRFANRHFSA-N 440.544 5.232 30 10 IKEE Clc1ccccc1C=Nn1c(SCc2ccccc2Cl)nnc1[C@@H]1CCCO1 2330965671 OCXYUCGORICALC-SFHVURJKSA-N 433.364 5.611 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)cc(Cl)c1OC(=O)C(F)(F)F 2331069449 YGCBXMGXOLUTEV-UHFFFAOYSA-N 428.790 5.111 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)Cc1ccc(OC)cc1 2331077609 HAPBMCHGZQRFGH-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)[C@H]1CCCO1 2331128566 MOZVEHCWZAFPCJ-LJQANCHMSA-N 435.303 5.373 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)c1cc(Cl)ccc1OC 2331179095 AKMQQYCKQADSAT-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE Cc1ccccc1CSc1nnc(C2CCC2)n1N=Cc1ccc(Cl)cc1Cl 2331491470 JKYJOMOHIHXWSR-UHFFFAOYSA-N 431.392 6.335 30 10 IKEE COc1cccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2)c1 2331491625 WUSNWTMZGGIYTB-UHFFFAOYSA-N 430.500 5.699 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)c1cccs1 2331507892 OBCTVZOCHFSCAN-UHFFFAOYSA-N 446.568 6.724 30 10 IKEE Cc1ccccc1NC(=O)CSc1nnc(C2CC2)n1N=Cc1cccc2ccccc12 2331734338 PWEVMCDKPAMIJC-UHFFFAOYSA-N 441.560 5.230 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc(Cl)c1OC(=O)C(C)(C)C 2331780479 VJSNTXUXLKFCRC-UHFFFAOYSA-N 442.983 6.802 30 10 IKEE Cc1ccc(Cl)cc1-n1nnc(C#N)c1NC(=O)C(=Cc1ccccc1)c1ccccc1 2332190526 UFKWVDUKDVCFQB-UHFFFAOYSA-N 439.906 5.280 30 10 IKEE C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339579162 RNOAPMCPMCZSMY-TUQDCPSNSA-N 446.397 5.044 30 10 IKEE CC1(C)OB(/C=C/c2ccc(NCC3CCN(Cc4ccccc4)CC3)nc2)OC1(C)C 2339585081 JZKSXTILVWUFML-NTCAYCPXSA-N 433.405 5.050 30 10 IKEE Cc1cc(NC(=O)OC(C)(C)C)cc(C)c1Oc1ncccc1B1OC(C)(C)C(C)(C)O1 2341199892 XMVQFCIDQUYMQC-UHFFFAOYSA-N 440.349 5.137 30 10 IKEE CC(C)(C)OC(=O)N1[C@@H](CNc2c(Br)cccc2C#N)C[C@H]2CCCC[C@H]21 2359470966 FMXSRTPBSHJZFK-QGPMSJSTSA-N 434.378 5.301 30 10 IKEE CCCN[C@@H](C#C[C@H]1CC1(F)F)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2366730354 USHCNFQGCQQZHR-YOEHRIQHSA-N 443.332 5.495 30 10 IKEE CC(C)COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(OC(C)C)cc2)cc1 20881834 TYZDCDMEUGLVJL-QPPBQGQZSA-N 447.575 5.513 30 10 IKEE CN(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(F)ccc2F)cc1 20882990 DURTUZJXYWYGNK-CBZJRKILSA-N 445.513 6.010 30 10 IKEE Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(OC(C)C)cc2)cc1 21223129 KAFQVDBQWATHGR-KPURRNSFSA-N 438.571 6.762 30 10 IKEE CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(C(F)(F)F)cc2)cc1 21245563 MGQPRNGSQLABSM-PXNSSMCTSA-N 441.493 6.007 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2Cc2ccccc2)cc1 33780234 DRQLKJYPUSEOMV-CCOZVKFZSA-N 439.511 5.263 30 10 IKEE C=CCN1C(=O)c2[nH]nc(-c3c(C)cc(C)cc3O)c2[C@@H]1c1ccc(OCCCC)cc1 38705187 WTIXSHIDAKKAQJ-VWLOTQADSA-N 431.536 5.309 30 10 IKEE COc1ccc(/C=C2\S/C(=N/c3nc(C)cs3)N(c3ccccc3)C2=O)c(OC)c1 39865470 OVPBVGNKQJKPJK-YVQDBNNVSA-N 437.546 5.277 30 10 IKEE C=CCOc1cccc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCCCC)c1 39910708 USFUXPYGCXDXLF-HSZRJFAPSA-N 431.532 5.710 30 10 IKEE COc1ccc([C@H]2CC(=O)C(C(=S)Nc3ccccc3)=C(Nc3ccc(C)cc3)C2)cc1 58840122 ZSRJWXUJYJHCDD-HXUWFJFHSA-N 442.584 6.256 30 10 IKEE COc1cc(/C=N/c2ccc(Cl)c(Cl)c2)ccc1OCc1cccc(C(=O)O)c1 59679729 SVDNSIYQYSOKBE-BRJLIKDPSA-N 430.287 6.030 30 10 IKEE C=C(C)COc1ccc(NCC(=O)Nc2ccc(OCCOc3ccccc3)cc2)cc1 66062102 POXGYGKUSUTLTM-UHFFFAOYSA-N 432.520 5.150 30 10 IKEE CCOc1ccc(/N=C2\NC(=O)/C(=C/c3cc(C)n(-c4ccc(C)cn4)c3C)S2)cc1 96476192 QERIFUGHCXVIIM-BKUYFWCQSA-N 432.549 5.088 30 10 IKEE CCCCCCCCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(C)c(C)c2)c1 98022875 ZZGAGWVMZOCRLO-SANMLTNESA-N 438.637 6.771 30 10 IKEE Cc1c(C(=O)N(C)c2ccccc2Cl)oc2c1/C(=N\Nc1ccccc1)CC(C)(C)C2 101109166 BUVUBIXPMOWOLB-USHMODERSA-N 435.955 6.307 30 10 IKEE CN(C)c1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 102601959 YDXOPOBKOOSCBJ-VFJWVMJUSA-N 432.907 5.032 30 10 IKEE COc1ccc(/C=C2/C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1OC 118919484 IXKJEQQDDXKZRU-QRQMCJNWSA-N 436.592 5.590 30 10 IKEE Sc1nnc(Cc2ccccc2)n1/N=C\c1ccc(OCc2ccccc2)c(Cl)c1 169911680 ARJNBRIYJJBAAJ-MYYYXRDXSA-N 434.952 5.272 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2ccc(C)cc2)c1 170036918 VXEULRHKZGURSN-XMMPIXPASA-N 443.499 5.185 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 170052701 CKPXFGSWYKHTQR-QFIPXVFZSA-N 433.891 5.522 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2ccccc2C)c1 170086827 MHULOBXLYHWSBB-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccccc2C)cc1 170088225 MLTGUMUCNXXCDE-HSZRJFAPSA-N 449.453 5.455 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2sccc2C)cc1 170105856 UAIVITRCEFJDJO-FQEVSTJZSA-N 437.492 5.296 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(OC)cc2)cc1C 170117134 HWELPIHHCCBCOI-DEOSSOPVSA-N 449.547 5.313 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(O)cc1)c1cccc2ccccc12 170130312 ZCPOHTYDLHYXRS-HSZRJFAPSA-N 441.508 5.385 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2cccs2)cc1C 170158224 JORLCGUYDQZXSE-QHCPKHFHSA-N 447.556 5.773 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccs1)c1cc2cc(Cl)ccc2o1 170162608 DNQLITMXPUSHFK-LJQANCHMSA-N 439.876 5.519 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccncc2)cc1 170203068 CTOQVGIILOWQJK-DEOSSOPVSA-N 442.515 5.270 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2)cc1C(C)(C)C 170226087 ZOLOJXIRYYUYOP-XMMPIXPASA-N 441.527 5.776 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1ccc(Cl)cc1 170236232 UNNAXOMOMIDYRD-HXUWFJFHSA-N 444.314 6.118 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccc2F)c1 170247765 GJJMHEPVVJFTCQ-HSZRJFAPSA-N 449.453 5.537 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1c1ccccc1 170272186 WLPAABKRKAFCKF-DEOSSOPVSA-N 427.500 5.565 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2C)cc1C 170275575 OOYJBMWHYYBRSO-DEOSSOPVSA-N 433.548 5.531 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C(C)(C)C)ccc3C)[C@H]2c2ccco2)cc1 170287697 IKECLHXHTCZICW-HSZRJFAPSA-N 429.516 5.977 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1c1ccccc1O 170314632 KOCZSIAVPFIXGL-OAQYLSRUSA-N 449.528 5.332 30 10 IKEE COc1ccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2cccc(Cl)c2C)cc1OC 170434272 YGXXIJIIBACQFG-JOCHJYFZSA-N 443.927 5.181 30 10 IKEE CCOc1cc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cccc(Cl)c2)ccc1OC 170440793 JAHLNKXAQALWMC-FQEVSTJZSA-N 443.927 5.263 30 10 IKEE CN1/C(=C2\SC(=Nc3ccccc3O)N(C3CCCCC3)C2=O)Sc2ccccc21 254305311 GBILBIULZNPRHV-QLMUGPIMSA-N 437.590 5.699 30 10 IKEE Cc1cccc(C)c1N=C1Oc2ccccc2N(C(=O)C(F)(F)F)[C@]1(C)c1ccccn1 254380536 BTVFTQFAISVIFA-HSZRJFAPSA-N 439.437 5.632 30 10 IKEE C=CCOc1ccc(/C=C2/SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)cc1 254869422 IPFXDCQCLKYLTJ-ZNCAUEQNSA-N 426.541 6.056 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(F)c(Br)c1)NCCC 406712686 PUIBTUXTMVLHIA-RBUKOAKNSA-N 443.401 5.358 30 10 IKEE CSc1nc(O)c(C(=O)Nc2ccc(Cl)cc2Nc2ccc(F)cc2)cc1C#N 426359251 JABXCBZROILRLP-UHFFFAOYSA-N 428.876 5.169 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1ccc(OCC(C)C)cc1 526802467 IIBVOXABTOJCBY-YSMPRRRNSA-N 440.588 5.969 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccc(OC)c(OCC)c1 526817218 XHAYBCRBTQCKFV-OYKKKHCWSA-N 444.988 5.466 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(CCCC#N)Cc2ccc3c(c2)OCO3)cc1 586180006 LGIZMHQYPDKEOP-UHFFFAOYSA-N 442.581 5.033 30 10 IKEE C=CCN(CC=C)C(=O)Nc1cccc(OC(=O)CCC(=O)c2ccc(Cl)cc2)c1 586523400 HGQHUEPHWQIBFW-UHFFFAOYSA-N 426.900 5.114 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OCc2ccccc2)C1 698481949 BNPVSHPSYHIYBM-VWLOTQADSA-N 435.524 5.041 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@H](C#N)c1ccc(Br)c(Cl)c1 698866120 IRRIWDQGXGGYNZ-INIZCTEOSA-N 441.778 6.166 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 698889019 DPQXBAOYWOFMOA-RUZDIDTESA-N 443.588 5.666 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@](C)(C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)C1 699663759 ICNPQDGOEYEZRK-HXOBKFHXSA-N 449.617 5.415 30 10 IKEE C[C@@H]1CCC[C@]2(CS/C(=N/CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)N2)C1 705691358 DSKNIVUDASVNND-ATIYNZHBSA-N 449.664 5.099 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)CCSc2n[nH]c(NN=C/C=C\c3ccccc3)n2)cc1 1084655486 CJZNKPPDMIVHKI-OWYFBEIXSA-N 448.596 5.550 30 10 IKEE S=C(Nc1ccc(Cl)cc1)N(CCc1ccccc1)N=Cc1ccc(Cl)cc1 1088668494 QIBGIHHBWUBJNZ-UHFFFAOYSA-N 428.388 6.269 30 10 IKEE O=C(O/N=C\c1cc([N+](=O)[O-])ccc1SC1CCCCC1)c1ccc([N+](=O)[O-])cc1 1088674883 DNAOTQDVZSWSGN-BKUYFWCQSA-N 429.454 5.119 30 10 IKEE C=CC(C)(C)CCCNC(=O)CSCc1nc(O)c2c(-c3ccccc3)csc2n1 1537131431 UMTOBMPSLNKJFE-UHFFFAOYSA-N 441.622 5.406 30 10 IKEE O=C(O)c1ccc(/C=C2\SC(=Nc3cccnc3Cl)N(C3CCCCC3)C2=O)cc1 1772736391 XQAFLINRIMMFOV-OQYABBNDSA-N 441.940 5.370 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=Nc1nc(-c2ccccc2)cs1 1772739759 VENVEQIJJJSAJL-YIFJCWOOSA-N 425.966 6.087 30 10 IKEE Cc1ccc(N=C2S[C@H](CC(=O)c3ccc(C)cc3)C(=O)N2c2ccc(C)cc2)cc1 1772759888 DDCPFLOQKZCUJM-XMMPIXPASA-N 428.557 6.021 30 10 IKEE CCCn1c2ccccc2c2nnc(NN=Cc3ccc(OCc4ccccc4)cc3)nc21 1772764881 HVZKTHDKOKZIOH-UHFFFAOYSA-N 436.519 5.415 30 10 IKEE Cc1ccc(-c2csc3nc(-c4ccccn4)n(Cc4cccc(C#N)c4)c(=O)c23)cc1C 1857804276 OYKPFHIOTFDMNP-UHFFFAOYSA-N 448.551 5.724 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3)cc2/C=N\NC(=S)Nc2cccc(C)c2)cc1 1857811254 LLGPNQHCRHIHDG-QQXSKIMKSA-N 441.560 5.177 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)c1ccc(N(C)C)cc1)c1ccccc1 1861827455 DSNOESIUZWCBRD-RUZDIDTESA-N 437.628 5.481 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccc(F)cc2)cc1 1862391343 YIWXJQKERCGLKK-QHCPKHFHSA-N 439.527 5.172 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(O)cc1 1862430211 FRQNJFXENUCWTL-QFIPXVFZSA-N 441.955 5.984 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@H]1c1ccc(F)cc1)c1ccccc1Cl 1862430391 JJIINRYTZIEYRW-QFIPXVFZSA-N 439.914 5.948 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(OCCC)cc1 1862436997 HAOGWXXZANMSKW-OAQYLSRUSA-N 427.928 5.507 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862444658 DCTKPARQNRKZEW-BXKMTCNYSA-N 445.946 6.242 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C34CC5CC(CC(C5)C3)C4)[C@@H]2c2cccc(F)c2)cc1 1862473471 BLXSWTONQIEMDZ-RZNVFEIWSA-N 445.534 5.681 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc(F)cc2F)cc1 1862478058 YCHOXKGJTYTQAM-GNSUPJDDSA-N 425.475 5.430 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2cccc(F)c2)ccc1F 1862501750 JRNPNOZZYZGORW-JOCHJYFZSA-N 425.475 5.574 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@H]1c1ccc2cc[nH]c2c1 1862515911 GTTPNQTXCAFBTL-HSZRJFAPSA-N 432.520 5.335 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@H]2c2cccc(C)c2)cc1 1862533388 MASVFJBGEBEANQ-SANMLTNESA-N 439.555 5.687 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2cccc(C)c2)cc1 1862534552 VPIDOGLTEGNGIQ-XMMPIXPASA-N 429.491 5.475 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862534946 VNCZARHSOQUQEZ-RUZDIDTESA-N 448.607 5.293 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C2CC2)cc1 1862549330 MUAPHZPNAVRHOT-DEOSSOPVSA-N 429.560 5.604 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1ccc(Cl)cc1Cl)c1ccc2c(c1)CCCC2 1862553962 RNVUNWAMWCHQJJ-NRFANRHFSA-N 442.342 5.613 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1ccc(C(C)C)cc1 1862572555 ITFWIJUGYRYHFZ-WAIKUNEKSA-N 437.536 5.204 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@@H]1c1cccc(F)c1)c1ccc2c(c1)OCO2 1862626812 GGYMMLNYLGUOTO-HSZRJFAPSA-N 449.478 5.023 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc2ccccc12 1862652382 HOXXYBGFFXTMCF-HHHXNRCGSA-N 449.550 6.762 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccc(OC)c1 1862724653 QVDWVUIALYEPBV-XMMPIXPASA-N 425.484 5.127 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cccc2ccccc12 1862736899 BFMYLQHGBXMPLS-QHCPKHFHSA-N 444.487 5.372 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 1862749103 QLXDSKHCTWMLTC-OAQYLSRUSA-N 438.455 5.035 30 10 IKEE Cc1cc(Cl)ccc1NC1=C(c2ccc(F)cc2)C(=O)N(c2ccccc2C#N)C1=O 1862776891 LHPHJZXKGLYOSX-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(C)c(C)c3)C2=O)c1 1863254039 JCRSUCQKEWTKJY-UHFFFAOYSA-N 435.527 5.184 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc3c2CCCC3)=C(c2ccc(C)cc2)C1=O 1863276267 GIQBRXQBSUCACI-UHFFFAOYSA-N 444.619 6.426 30 10 IKEE Cc1ccc(Cl)cc1-n1nnc(C#N)c1NC(=O)c1cccc(Oc2ccccc2)c1 1870154252 UPRDWIAUHACQAE-UHFFFAOYSA-N 429.867 5.145 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2c(Cl)cccc2Cl)cn1CCC(C)C 1870601990 IDGBXWPWXKBNOH-UHFFFAOYSA-N 449.422 5.954 30 10 IKEE C=CCOc1cn(Cc2ccc(F)cc2)c(CNc2cc(C(C)C)cc(C(C)C)c2)cc1=O 1870809272 SUFHZXIFAVIBHK-UHFFFAOYSA-N 448.582 6.459 30 10 IKEE Cc1ccc(C)c(CN2COc3ccc4c(c3C2)O/C(=C\c2ccc3c(c2)OCO3)C4=O)c1 1871348434 FCLBZXRPFWQQHH-GATIEOLUSA-N 441.483 5.000 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc4c(c1)OCO4)O3)CN(C1CCCCCCC1)CO2 1871349397 RQUAUKFUCGIISD-CFRMEGHHSA-N 447.531 5.605 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(=O)c(-c4ccc(Cl)cc4)c(C)oc3c2)cc1 1871389888 SOERGAJVPJYIFA-UHFFFAOYSA-N 446.886 6.206 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OCCCOc4ccccc4)c3C)C2=O)cc1OC 1871397485 TVGKTSDFSPDRTH-UQQQWYQISA-N 446.499 5.476 30 10 IKEE CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O 1871402819 NJFGKZUTJYYIAE-DNPFKWNUSA-N 447.462 5.247 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(O[C@H](C)C(=O)Nc3ccccc3)cc(C)c2C1=O 1871403837 BGVFSCCOJDUZJM-BEXDPUPVSA-N 443.499 5.416 30 10 IKEE CCc1ccc(OCCCOc2cc(C)c3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871412781 DINVKNVQHZYKEX-ONUIUJJFSA-N 428.528 6.330 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2F)C3=O)c(C)c1 1871419012 ZFEQYZHQTSFCRN-QRVIBDJDSA-N 431.463 5.385 30 10 IKEE Cc1cc(OCC(=O)N[C@H](C)c2ccccc2)cc2c1C(=O)/C(=C/c1cccc(Cl)c1)O2 1871424462 KLEUDAPDJJJXQS-SUVVMJBMSA-N 447.918 5.521 30 10 IKEE COc1ccc2c(c1)c(/C=C1\Oc3cc(OCCc4ccc(C)cc4)ccc3C1=O)cn2C 1871437558 IOOJRVWHJATCKT-VYYCAZPPSA-N 439.511 5.733 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(Cl)cc4C)cc(C)c3C2=O)c1 1871454241 FFWUPQYMMRYEQE-FMCGGJTJSA-N 447.918 5.899 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O)Nc1ccc(Cl)c(Cl)c1 1871458653 YAMVTPSVFYIHBG-FBHDLOMBSA-N 440.282 5.627 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(CC)cc2)[nH]c(N2CCCCC2)n1 1871585374 YWQFROQQJHRXKR-UHFFFAOYSA-N 438.664 6.142 30 10 IKEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(Nc2ccccc2)cc1)S(=O)(=O)c1ccccc1 1872143744 YFABMPFKCMVFRK-FQEVSTJZSA-N 449.576 5.024 30 10 IKEE Cc1ccc(C)c(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1C 1872769451 SCWDJLKLCGAXDX-MRXNPFEDSA-N 445.371 6.297 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)COc2ccc(Cl)cc2)n1 1872786378 IKMWHXKQIGAOHB-KRWDZBQOSA-N 447.343 5.689 30 10 IKEE N#C[C@@H](C(=O)c1cc(Cl)ccc1Cl)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872787469 KEBUKJVGIVCGRO-ZDUSSCGKSA-N 442.154 6.914 30 10 IKEE CCCCCCCCNC1=C(c2cc(F)cc(F)c2)C(=O)N(Cc2ccc(F)cc2)C1=O 1873113692 YQEVSDGEJYMNBR-UHFFFAOYSA-N 444.497 5.334 30 10 IKEE CCCCCCCCCCNC1=C(c2cccs2)C(=O)N(C2CCCCCCC2)C1=O 1873155904 LYZPGFULFJZSKQ-UHFFFAOYSA-N 444.685 6.671 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(Cl)cc2C)=C(c2ccccc2C)C1=O 1873305615 MUFJPWWHDGYZRC-UHFFFAOYSA-N 438.999 6.509 30 10 IKEE C=CCn1c(C(=O)Nc2cc(C)ccc2C)cc2c(NCCCOCCCC)ncnc21 1873608025 GROUKXDISIYMNJ-UHFFFAOYSA-N 435.572 5.105 30 10 IKEE Cc1nc(-c2cccc(F)c2)sc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1874180680 KDHNUJUDZSCJDU-UHFFFAOYSA-N 448.363 6.548 30 10 IKEE C=CCSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1ccccc1C 1874198866 XLXRJSHCIXQRTA-ZXVVBBHZSA-N 442.588 5.912 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1cccc(Cl)c1 1874320295 KFCWXBUKYMVWLX-WYMPLXKRSA-N 426.973 5.678 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2cccc(O)c2)cc1C 1874320608 AAJJIBFDLVWTFZ-CVKSISIWSA-N 444.560 5.354 30 10 IKEE COc1ccc(Cc2nnc(SC)n2/N=C/c2ccc(OCc3ccccc3)cc2)cc1 1874348054 SVUUHHUWULJMOF-YZSQISJMSA-N 444.560 5.061 30 10 IKEE Cc1ccccc1/C=N/n1c(CCc2ccccc2C)nnc1SCCc1ccccc1 1874361993 ICCMMSNPTVCJRZ-VFCFBJKWSA-N 440.616 5.897 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(Cc3ccccc3F)nnc2SCc2ccccc2C)c1 1874373817 SRQFSRCGOJXHPP-JFLMPSFJSA-N 446.551 5.505 30 10 IKEE Fc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2Cl)cc1 1874380121 XVGMTGYCWFOJMN-CVKSISIWSA-N 436.943 5.836 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCCc2ccccc2)n1/N=C/c1ccccc1O 1874399908 FYYYRNQAXQVILJ-FIKCODCVSA-N 428.561 5.353 30 10 IKEE COc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccc(C)cc2)cc1OC 1874435564 MYXSYFJVTXOYDS-MFKUBSTISA-N 438.597 5.367 30 10 IKEE Clc1cccc(Cl)c1/C=N/n1c(SCc2ccccc2)nnc1C1CCCC1 1874455048 YLTZXPICWUGFLX-ZMOGYAJESA-N 431.392 6.417 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2-c2ccco2)c(F)c1 1874468652 RWULLXMISIRBGG-BHGWPJFGSA-N 430.867 5.644 30 10 IKEE CC(C)Cc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1ccc(C(C)C)cc1 1874488653 CMIHCLALMWQKBV-MFKUBSTISA-N 435.597 5.213 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)C)n2/N=C/c2ccc3c(c2)OCCO3)c1 1874489876 PEKZNJVKFFJITM-AFUMVMLFSA-N 436.581 5.039 30 10 IKEE O=C(O)c1ccccc1/C=N/n1c(SCc2cccc3ccccc23)nnc1C1CCC1 1874496593 VFMNTZVGPFFPDT-CVKSISIWSA-N 442.544 5.572 30 10 IKEE C=C(C)CSc1nnc(C(C)C)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1874513390 VOCKLEGPVZGDII-DHRITJCHSA-N 441.000 6.184 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C(C)C)cc1 1874513870 UGAWOCCNBRMTBC-MFKUBSTISA-N 442.032 6.076 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CC3)n2/N=C/c2c(Cl)cccc2Cl)c1 1874519637 DIKDMUFGAFQGKU-BHGWPJFGSA-N 431.392 6.254 30 10 IKEE CCSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(C)cc1 1874540573 RLXLZKWMMONYHO-ZVHZXABRSA-N 449.407 5.899 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OC)c2OCc2ccc([N+](=O)[O-])cc2)c1 1874580788 GLGJMLRPYBYURP-UKTHLTGXSA-N 449.459 5.096 30 10 IKEE CCc1ccc(NC(=O)COc2cc(/C=C/C(=O)c3ccccc3Cl)ccc2OC)cc1 1874594952 MEXUJXYCNFCCCA-GXDHUFHOSA-N 449.934 5.825 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1OCc1ccccc1 1874600121 UWBIQHCKEWECLU-CSKARUKUSA-N 443.326 6.486 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCc3cc(C)ccc3C)c([N+](=O)[O-])c2)cc1 1874607547 SZGYSNHKXKWRLI-RVDMUPIBSA-N 443.543 7.029 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OCC(=O)Nc1cccc(C)c1C 1874613131 DNYRNRUUWDMLFV-ZRDIBKRKSA-N 449.934 5.879 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccccn3)c2)cc1OCCC 1874699627 DZFGGLJYNVAHND-ACCUITESSA-N 445.515 5.775 30 10 IKEE CCOc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3cc(C)ccc3OC)c2)cc1 1874704470 QNGHPGKVONEFLZ-NTEUORMPSA-N 446.499 5.283 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc1OC 1875107194 FJACZVFSNQXGDC-ZRDIBKRKSA-N 444.955 6.438 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)Cc1cc(Cl)ccc1Cl 1875128982 FFLGIZLTXOBJAA-YRNVUSSQSA-N 441.310 6.046 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccccc3)c(OC)c2)cc1 1875139070 PZYPFXSQFQWSBS-OQLLNIDSSA-N 446.499 5.365 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2[N+](=O)[O-])c1 1875140463 HWJOLZNGLLIWHW-ZRDIBKRKSA-N 445.471 5.726 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(OC)ccc2OC)cc(Cl)c1OC(=O)CC(C)C 1875144297 AXOMOEVTFKEHFM-VQHVLOKHSA-N 446.927 5.604 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1 1875147327 VTMBAXWGSCCGPN-LFYBBSHMSA-N 448.902 5.546 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc4ccccc34)cc2)cc1 1875154042 LGRNLPZIELGSPA-DEDYPNTBSA-N 434.535 7.253 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)c1sccc1C 1875160332 KVJVSRYIDPOZQK-ZZXKWVIFSA-N 448.874 6.112 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)C3CCCC3)c([N+](=O)[O-])c2)c2ccccc12 1875192299 FHZPOBPAJTYKRU-JLHYYAGUSA-N 445.471 5.748 30 10 IKEE C=C(C)CC[C@@H](NCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875652905 XGGDGFQVUFZJFD-GGXMVOPNSA-N 445.603 6.212 30 10 IKEE C#CC[C@@H](C)C[C@@H](NCCC)c1ccc(I)c(Br)c1 1887452209 JTGKCJCKUXXLQT-MLGOLLRUSA-N 434.159 5.144 30 10 IKEE COc1ccc(-c2ccc(C(=O)NCC#CCOc3cccc(C(F)(F)F)c3)cc2)cc1 1891662263 LTCFYHMCWRJKIV-UHFFFAOYSA-N 439.433 5.193 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](Cc2cccc(Cl)c2Br)NCC)C1 1892684198 JNUVVBQBECLIMK-MRXNPFEDSA-N 443.813 5.237 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](O)c1cc(Br)ccc1Cl 1922056441 XURORVPJADCTSW-LEWJYISDSA-N 438.793 5.277 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](O)c1cccc(NC(=O)OC(C)(C)C)c1 1922056865 GLFGQTRABIHCAH-BJKOFHAPSA-N 440.584 5.208 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1[C@@H]2CCCCN(C(=O)OC(C)(C)C)[C@@H]21 1922105867 ZNBJQZSERUILIQ-ZJZGAYNASA-N 428.617 5.163 30 10 IKEE C[C@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1938773626 VMCYBDOUQCSDNS-QRQCRPRQSA-N 435.952 5.373 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 1943912690 PAESFOTUNCFPCT-MBSDFSHPSA-N 433.524 5.297 30 10 IKEE CSc1cccc(NCCNC(=O)OCC2c3ccccc3-c3ccccc32)c1C#N 1956261961 KHUGKZQSTNFEOP-UHFFFAOYSA-N 429.545 5.231 30 10 IKEE C=CC1(C[C@H](NC)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)CCC1 2002639339 PAJATNBJSYFFAB-BKMJKUGQSA-N 428.617 5.165 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2032216052 FHQFWHWXJSBOLG-XDHUDOTRSA-N 447.551 5.544 30 10 IKEE Cc1cc(Br)sc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2039290702 XIUGIMVAELBWLE-CQSZACIVSA-N 425.323 5.965 30 10 IKEE N#Cc1c(NC(=O)C=Cc2cn(-c3ccccc3)nc2-c2cccs2)sc2c1CCC2 2042443560 VDYUCVTWYBSOLJ-UHFFFAOYSA-N 442.569 5.675 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2ccc(NC(=O)OC(C)(C)C)nc2)c1 2050053380 KFWFBBZVHYNKSN-LJQANCHMSA-N 438.528 5.743 30 10 IKEE CCc1nn([C@H](c2ccc(C(C)C)cc2)C2CCC2)c(I)c1C#N 2079896549 KOIOZDSPIVVKRD-IBGZPJMESA-N 433.337 5.435 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCCC)c2cc(F)c(Br)cc2F)C1 2198172808 GGCXSEUEERATKA-KRWDZBQOSA-N 445.348 5.382 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C=CC(=O)c2cc(F)c(Br)c(F)c2)cc1 2207153623 IJIGLPMZGOMQOY-UHFFFAOYSA-N 438.268 5.970 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 2220388474 BPIVCMIUFRDJEZ-WOGXIUBCSA-N 447.551 5.495 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)CC[C@@H](C)CCNC(=O)OC(C)(C)C 2235728560 RJJPPMUOENVUPF-IEBWSBKVSA-N 437.422 5.110 30 10 IKEE C#CCCCCC[C@@H](NC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237422635 YPHAOOJKSBNEFZ-UXHICEINSA-N 437.422 5.057 30 10 IKEE Cc1cc(C(=O)N(Cc2ccccc2)CC2CCCC2)c(B2OC(C)(C)C(C)(C)O2)s1 2255637844 JBJZBXWZJZPETJ-UHFFFAOYSA-N 439.430 5.188 30 10 IKEE O[C@H](C#Cc1cccc(Br)c1)c1ccc(Br)c(Br)c1 2278743555 HQRXNRQJABXVGJ-OAHLLOKOSA-N 444.948 5.059 30 10 IKEE Cc1cc(N2C(=O)C(=O)C(=C(O)c3cc4ccccc4o3)[C@H]2c2ccc(Cl)cc2)no1 2296778313 ITVKISHVGHKKJA-HXUWFJFHSA-N 434.835 5.009 30 10 IKEE CCN1C(=O)C(=CC=C2Sc3ccc(Cl)cc3N2C)SC1=Nc1ccccc1C 2297708226 ONQVUWZKTLKKKS-UHFFFAOYSA-N 442.009 6.199 30 10 IKEE CSC1(C#C[C@H](N)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CC1 2299603522 GNTDBTAAZUHVCX-DEOSSOPVSA-N 429.585 5.743 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)[C@H]2CC[C@H]21 2309989790 MFJXEFILCOAWNU-GXYVPTEVSA-N 445.535 5.249 30 10 IKEE CCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(Cl)c(Cl)c1 2318571714 QUCJNZXEFAXBJN-UHFFFAOYSA-N 425.772 5.975 30 10 IKEE Clc1ccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C2CC2)cc1 2320867849 OOIBHBWDHUAWKL-UHFFFAOYSA-N 437.783 6.290 30 10 IKEE COc1cccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN([C@H]2CCCC[C@H]2C)C4)c1OC 2322146242 WXRZMQRLZNJCRH-UZLBHIALSA-N 449.547 5.359 30 10 IKEE CCN(CC)CCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(C(C)(C)C)cc1)C3=O 2322170798 YZPZCNMVPDIHJF-UHFFFAOYSA-N 448.607 5.402 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc4c3CN([C@@H](C)c3ccc(CC)cc3)CO4)C2=O)cc1 2322260223 YTTBENAIFZYZKS-IBGZPJMESA-N 439.555 6.341 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2cc(C)cc(C)c2)cc1 2322549478 HJQJFLKAJGGJJH-UHFFFAOYSA-N 429.516 5.616 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2C)cc1 2322595585 HAHXQIHFYQBTSL-UHFFFAOYSA-N 433.935 6.179 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccccc2OCC(=O)NCc2ccccc2)cc1 2322605071 FRILUXAGWPZTKG-UHFFFAOYSA-N 429.516 5.067 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)c1OCc1ccccc1 2322687378 HAQVEQQZWCEZDE-UHFFFAOYSA-N 434.963 7.121 30 10 IKEE CCCNC(=O)COc1c(C=CC(=O)c2ccc(C(C)C)cc2)cc(Cl)cc1OC 2322736554 WKZCNZGRCVRKKM-UHFFFAOYSA-N 429.944 5.273 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC)c(OCc3cc(C)ccc3C)c2)cc1 2323153944 COEADHFQRPGIKX-UHFFFAOYSA-N 430.544 6.576 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OCC(=O)Nc3ccc(C)cc3)c2)cc1C 2323323522 LFSOFBVFWJZPTH-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc3C2=O)c1 2323396559 ZDIVOFKSCFBKNH-UHFFFAOYSA-N 436.463 5.613 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1)Nc1ccccc1 2323512084 ZECJAHYRSFTDQX-UHFFFAOYSA-N 426.299 5.907 30 10 IKEE Cc1c(OC(=O)c2cccc(OCC(C)C)c2)ccc2c1OC(=Cc1cccnc1)C2=O 2323580298 VTTJGJGCQZIQAX-UHFFFAOYSA-N 429.472 5.260 30 10 IKEE Cc1c(OC(=O)c2cc(Cl)ccc2Cl)ccc2c1OC(=Cc1cccnc1)C2=O 2323582528 CXPYIBANANYZCO-UHFFFAOYSA-N 426.255 5.532 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OCc1nc(O)c2ccccc2n1 2323800642 GOHQOBVLHUUIAD-UHFFFAOYSA-N 446.890 5.473 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCc3cc(C)ccc3C)c(Br)c2)cc1 2323900552 CWEGUROQVYMVLZ-UHFFFAOYSA-N 435.361 6.849 30 10 IKEE CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1ccccc1)C2=O 2324324955 BODOAQMLDZOSRU-QGZVFWFLSA-N 429.472 5.108 30 10 IKEE COc1ccccc1C=C1Oc2cc(O[C@H](C)C(=O)Nc3ccccc3)cc(C)c2C1=O 2324404348 PEHAXVCXZUXXBF-QGZVFWFLSA-N 429.472 5.026 30 10 IKEE CCc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccc(OC)cc4)ccc3C2=O)cc1 2324451532 VWGSBEAMSWPCBP-QGZVFWFLSA-N 443.499 5.280 30 10 IKEE CCOc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3cc(C)ccc3C)cs2)cc1OC 2324561302 IURRMXJEJWCJFF-FQEVSTJZSA-N 432.545 5.724 30 10 IKEE C=CCOc1ccc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1Br 2324598630 WVYJEZDDZFZGDO-UHFFFAOYSA-N 442.136 6.225 30 10 IKEE CCc1ccc(OCCCOc2cc(C)c3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1 2324665515 FHQVPKRNFZLPRQ-UHFFFAOYSA-N 440.539 6.578 30 10 IKEE COc1ccc(OC)c(C=CC(=O)[C@H](C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)c1 2324787973 NWOQHVLFWDHZOB-FQEVSTJZSA-N 432.545 5.642 30 10 IKEE CCc1ccc(NC(=O)[C@H](CC)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2)C3=O)cc1 2324816934 AJAZWNUXZAAXNP-QHCPKHFHSA-N 441.527 5.970 30 10 IKEE CCCCCCOC(=O)COc1ccc2c(c1C)OC(=Cc1ccc(C(C)C)cc1)C2=O 2325031385 MDVXEVHLXRSJAS-UHFFFAOYSA-N 436.548 6.237 30 10 IKEE COc1ccc(C)cc1NC(=O)COc1ccc2c(c1C)OC(=Cc1sccc1C)C2=O 2325119182 OLRAVDYLLVIPLS-UHFFFAOYSA-N 449.528 5.316 30 10 IKEE CCOc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 2325471289 YMOZUDBKYBWZMX-UHFFFAOYSA-N 446.551 5.581 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1cc(C)c2c(c1)OC(=CC=Cc1ccccc1)C2=O 2325501175 UFGGBFOZUPIBBZ-UHFFFAOYSA-N 439.511 5.802 30 10 IKEE CCCOc1ccc(C=Nn2c(CCC)nnc2SCc2ccccc2Cl)cc1 2325559023 QBPOPRBDYRYGOU-UHFFFAOYSA-N 428.989 5.847 30 10 IKEE CCCOc1c(C=Nn2c(C)nnc2SCc2c(F)cccc2Cl)cccc1OC 2325645509 FCZOANIADHSFMS-UHFFFAOYSA-N 448.951 5.351 30 10 IKEE CCOc1ccc(CC(=O)Oc2cc(C=CC(=O)c3cc(C)ccc3C)ccc2OC)cc1 2325739635 STWAQHWKSPASCK-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2cccc3ccccc23)c1)c1cccc2ccccc12 2325749981 IEXAWEIRSPOUEJ-UHFFFAOYSA-N 428.487 7.108 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1OC(=O)c1cccc(F)c1 2325772576 ZXJUJFVTIUMTSH-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE CCCCCCCCC(=O)Oc1cccc(C=CC(=O)c2ccc(OC)c3ccccc23)c1 2325778075 DIQBENWSBHRPPW-UHFFFAOYSA-N 444.571 7.401 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc3ccccc23)n1N=Cc1cccc(OC)c1 2326592232 AYXPZPGRDRFAKQ-UHFFFAOYSA-N 442.588 5.776 30 10 IKEE Cc1ccsc1C=Nn1c(CCc2ccccc2)nnc1SCc1ccc(C#N)cc1 2326684108 UMAALCNXWWRVLJ-UHFFFAOYSA-N 443.601 5.479 30 10 IKEE C=C(C)CSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1ccccc1Cl 2328155994 AFVHVIVFLFOGJY-UHFFFAOYSA-N 431.049 6.946 30 10 IKEE C=CCSc1nnc(COc2ccccc2OC)n1N=Cc1ccc(Cl)c(Cl)c1 2328297543 ZREJTHPSBHMWQV-UHFFFAOYSA-N 449.363 5.333 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccc(F)cc3)n2N=Cc2cccn2C)cc1C 2328776947 WPAOMEXATZBWGU-UHFFFAOYSA-N 449.555 5.126 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2ccccc2Cl)cc1 2329992640 AOEPZMFRGVMDFS-UHFFFAOYSA-N 432.980 6.005 30 10 IKEE C=CCOc1ccccc1C=Nn1c(Cc2cccs2)nnc1SCc1ccccc1 2330392162 LATJSPFKPBILDY-UHFFFAOYSA-N 446.601 5.670 30 10 IKEE CC(=Cc1cccc(Cl)c1)C(=O)N[C@@H](C(=O)Nc1ccccc1C#N)c1ccccc1 2330518927 JBJWIPNOVDHAIS-HSZRJFAPSA-N 429.907 5.111 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3ccc(C)cc3)nnc2-c2cccs2)c1 2330531184 JAJDDPXFHUUEPY-UHFFFAOYSA-N 448.617 6.278 30 10 IKEE Cc1ccccc1CSc1nnc(-c2cccs2)n1N=Cc1ccc(C(=O)O)cc1 2330537411 MTJBDVXYSJFBSX-UHFFFAOYSA-N 434.546 5.188 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc4ccccc4c3)cc2)cc1 2330653550 LONKWQGVVPLZRB-UHFFFAOYSA-N 436.507 6.283 30 10 IKEE O=C(O)c1ccccc1C=Nn1c(SCc2ccc(Cl)cc2)nnc1-c1ccccc1 2330684893 CVBCEQBCVCQEGK-UHFFFAOYSA-N 448.935 5.471 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cnc(C)cn3)c([N+](=O)[O-])c2)cc1 2330833516 HJYRRMUHKONFAN-UHFFFAOYSA-N 445.475 5.151 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3C)c(Cl)c2)cc1C 2330862768 DVKWUMSBMUIUBW-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)cc2)cc(OC)c1OC(=O)CCCCCC 2330989918 XCXWQJXMZRTNDI-UHFFFAOYSA-N 436.548 6.204 30 10 IKEE Cc1ccc(CSc2nnc(C(F)(F)F)n2N=Cc2ccc(C(F)(F)F)cc2)cc1 2331108655 LLYIZXRZVHUGNW-UHFFFAOYSA-N 444.404 5.799 30 10 IKEE Cc1cccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C(F)(F)F)c1 2331154798 GTTIERYUOLUHMI-UHFFFAOYSA-N 445.297 6.087 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3sccc3C)c([N+](=O)[O-])c2)cc1 2331200548 KZGSGGSBQFBQKG-UHFFFAOYSA-N 437.473 5.479 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(SCc3ccccc3F)nnc2-c2ccco2)cc1 2331208400 DNMANZMLSKRUJJ-UHFFFAOYSA-N 434.540 6.149 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1ccc(F)c(F)c1 2331259643 GSGWUIONEZCEDE-UHFFFAOYSA-N 438.426 5.406 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)Cc1ccc(C)cc1 2331326297 UEFCOKBATJBAHL-UHFFFAOYSA-N 428.528 6.055 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2ccc(Cl)c(Cl)c2)nnc1C(C)(C)C 2331409138 YTYJCTYNDUILMM-UHFFFAOYSA-N 433.408 6.365 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OC(=O)Cc1ccccc1 2331478903 GSBJARLPYADDFN-UHFFFAOYSA-N 436.507 6.283 30 10 IKEE Fc1ccccc1CSc1nnc(C2CCC2)n1N=Cc1ccc(Cl)cc1Cl 2331522875 LGZMFCIMQQBWRX-UHFFFAOYSA-N 435.355 6.166 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)c2cnc(C)cn2)cc1 2331545628 JFHZIIBWOZQAGA-UHFFFAOYSA-N 430.504 5.206 30 10 IKEE CCC(=O)Oc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc1Br 2331549069 SZKLKJZDWANBOG-UHFFFAOYSA-N 445.353 5.967 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(Oc4ccccc4)c3)cc2)cc1C 2331704594 IODVRWUMPKOQBQ-UHFFFAOYSA-N 448.518 7.211 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)CCc3ccc(Cl)cc3)cc2)c(C)c1 2331764597 QIAQCQQCPHVTDO-UHFFFAOYSA-N 432.947 6.700 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc(OC)c1OC(=O)CC 2331814706 RVYZZYWDEUGICX-UHFFFAOYSA-N 449.330 5.951 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)C(C)(C)C)c(OC)c2)cc1Cl 2331819077 MZOKKALDBKXNDT-UHFFFAOYSA-N 432.900 5.213 30 10 IKEE N[C@@H](C#Cc1ccn(C2CC2)n1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2366110573 DWVHNKRXWYNFSJ-MHZLTWQESA-N 449.554 5.428 30 10 IKEE C[C@H](c1cccs1)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1 2377443548 CZPKYYKILLDEGU-CQSZACIVSA-N 436.224 5.003 30 10 IKEE C=CCn1c(SCc2ccc(Cl)cc2)nc2scc(-c3ccc(C)cc3)c2c1=O 8950533 LVMKULKDOACTNH-UHFFFAOYSA-N 439.005 6.565 30 10 IKEE CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(O)cc2)cc1 21218196 CFKNVKPYMSORFT-PIIWDFAUSA-N 438.571 6.669 30 10 IKEE O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1cc(F)ccc1F)Nc1ccccc1N2 21238511 KBIRASIJDDYZDU-BZQUYTCOSA-N 436.889 6.598 30 10 IKEE Cc1noc2c1[C@H](c1ccc(Br)cc1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 28051609 HYLJVUKIDKABHT-KKSFZXQISA-N 435.321 5.704 30 10 IKEE Cc1cc(C)cc(N/C(=N\C(=O)c2ccc(C(C)(C)C)cc2)NCc2c(C)nn(C)c2C)c1 32972328 XUXRRTNKRLTSNW-UHFFFAOYSA-N 445.611 5.349 30 10 IKEE Cc1nc2ccc(Br)cc2c(-c2ccccc2)c1C(=O)/C=C\c1ccc(F)cc1 33405975 LJWULEZOSMQOMP-ZROIWOOFSA-N 446.319 7.008 30 10 IKEE N#Cc1ccccc1Sc1ccccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 36333294 SCCHMXKFAKQJML-UHFFFAOYSA-N 433.964 5.325 30 10 IKEE C=CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCOC(C)C)cc1 39839386 IXTZDTQTZSMYLP-DEOSSOPVSA-N 447.531 5.027 30 10 IKEE Cc1ccc(-n2c(C)cc3c2CC(C)(C)C/C3=N\OC(=O)/C=C/c2ccccc2)cc1C 39853163 QLCSDOKAYFSWCI-LJUUHCCTSA-N 426.560 6.336 30 10 IKEE COc1ccc(CN2COc3ccc4c(c3C2)O/C(=C\C=C\c2ccccc2)C4=O)cc1 41660553 LKPVPDFGERGROX-PRUYFSNSSA-N 425.484 5.220 30 10 IKEE CCOc1ccc(N/C(=N\C(=O)c2ccc(C)cc2)NCCc2c[nH]c3ccccc23)cc1 66437649 CWYCPWTYJIDKGG-UHFFFAOYSA-N 440.547 5.316 30 10 IKEE N#CCCn1cc(/C=C\C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c2ccccc21 96533377 HQWQGEVGKBNZRB-OTDUKCBNSA-N 426.545 5.542 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2cccc(O[C@H](C)CC)c2)cc1 100269672 TXPDXWKMYTUUBE-LJQANCHMSA-N 442.625 6.340 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1 100443320 LAOUFXIDUMRCOU-UHFFFAOYSA-N 442.025 6.762 30 10 IKEE CCCCCCCCCCn1c([C@@H]2CC(=O)N(c3cccc(F)c3)C2)nc2ccccc21 101904997 IZHVMYBTDVKGNL-OAQYLSRUSA-N 435.587 6.837 30 10 IKEE CCCCCCCCNCc1ccc(OCc2ccc(Cl)cc2)c(Br)c1 102555769 XCSUDNYAHNYDSK-UHFFFAOYSA-N 438.837 7.132 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2cccc(C)c2)c1 169930749 WQIGTBKECRQMKR-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1c1cccc(C)c1 169941877 FEPPGMBYJGUVDP-AREMUKBSSA-N 449.506 5.940 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccc(OC(C)C)c2)ccc1F 169979720 LDTLYIRVUUAMSH-DEOSSOPVSA-N 445.490 5.704 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccncc2)cc1 170017139 OEYNECGOVFENKY-QFIPXVFZSA-N 446.934 5.815 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2c[nH]c3ccccc23)cc1 170075514 MCCCGWYHTJPEHD-VWLOTQADSA-N 436.511 5.822 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cn(C)c3ccccc23)cc1C 170085886 WNESUPMQQQPZOQ-XMMPIXPASA-N 444.531 5.016 30 10 IKEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(CC)cc3)[C@H]2c2ccco2)cc1 170097043 OCOMSBBSOLYZLF-HSZRJFAPSA-N 431.488 5.019 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)c(C)cc4[nH]3)[C@@H]2c2ccco2)cc1C 170098802 KNKGPTMWPOLRFE-JOCHJYFZSA-N 441.487 5.172 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@@H]1c1ccc(OC)cc1 170116145 JCTCKSDJYCYZTH-FQEVSTJZSA-N 443.927 5.044 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccs2)cc1Cl 170155757 GZRLXFQOFZMMOQ-LJQANCHMSA-N 443.883 5.332 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2OC)[C@@H]1c1ccc(OCCC)cc1 170215398 VYHZSHNUIODFGU-QHCPKHFHSA-N 437.536 5.171 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@@H]1c1ccccc1 170227388 MHPSQOMFVRZMGX-QHCPKHFHSA-N 443.499 5.104 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(F)cc1)c1ccc2c(c1)CCCC2 170237324 QDWUIKQTBIYQFC-HSZRJFAPSA-N 447.531 5.545 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@H]1c1ccccc1F 170253129 STTIJEVAFDAZGX-HSZRJFAPSA-N 439.527 5.629 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2c2ccccc2)cc1 170265407 YWGRONGRQIQGOL-XMMPIXPASA-N 443.499 5.049 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1ccccc1C 170275827 YBDBCZDJZPVUFP-HSZRJFAPSA-N 435.564 5.216 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccco2)c1 170296648 SVIVLUGOACATQX-HSZRJFAPSA-N 449.478 5.029 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2sccc2C)c1 170314369 PCURHSFCWHKCNA-HSZRJFAPSA-N 439.536 6.301 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(C4CCCC4)[C@@H]3c3sccc3C)oc12 170319760 HIQUHHCGDKALIH-IBGZPJMESA-N 437.517 5.332 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2cccc3ccccc23)cc1 170370012 CJMXPVIPPDGMGB-QHCPKHFHSA-N 425.440 5.224 30 10 IKEE C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)nnc1-c1ccc(Cl)cc1 251558422 MCUVABNDLBQYEC-SQWXYCIISA-N 445.032 5.206 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 526486294 OABCFCXAXZUXBZ-HSZRJFAPSA-N 430.891 5.668 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3cccc4ccccc34)[C@H]2c2c[nH]c3ccccc23)cc1 526492008 QZPTXFDFDATGFA-HHHXNRCGSA-N 441.490 6.250 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3Cl)[C@@H]2c2cccc(O)c2)c1 526519498 AFLDOVDMQKDDTG-NRFANRHFSA-N 437.282 5.628 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccc(C(C)C)cc2)cc1 526806229 ZTTDUGZKSXYVBH-VEILYXNESA-N 440.616 6.475 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1cn(CC)c2ccccc12 526808874 BQBIVVUJQUGCBJ-YUMHPJSZSA-N 445.636 6.387 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1cc(OC)ccc1OC 526812339 PDVWCWAIEPTOQL-MYYYXRDXSA-N 438.597 5.429 30 10 IKEE COc1ccccc1/C=N\n1c(Cc2ccccc2)nnc1SCc1cccc(F)c1 526826237 XEFJPTMJIZKNIT-QQXSKIMKSA-N 432.524 5.191 30 10 IKEE CCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1cn(CC)c2ccccc12 526828846 MYRMLUQITDIDTI-OYKKKHCWSA-N 448.552 5.288 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)N[C@@H]3CCCC[C@H]3C)C2)c1 585932072 DKANKVGQIUKARZ-UEVCKROQSA-N 440.632 5.007 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(CCCC#N)c2cc(OC)cc(OC)c2)cc1 586236666 SFUVSTLDYWPZDR-UHFFFAOYSA-N 444.597 5.326 30 10 IKEE N#CCCN(CCc1ccccc1)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2Cl)cc1 606508290 VIVXNXDTARWBMT-UHFFFAOYSA-N 433.899 6.626 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@H](C#N)c1cc(Br)ccc1F 698825344 HRFKYXAPBHTSRN-GOSISDBHSA-N 425.342 6.113 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 698853145 AQKHODKXQDWRJB-DVECYGJZSA-N 447.551 5.639 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@@](C)(C#N)c1cc(Br)ccc1F 698904858 ZAVXJGLAAXDRKW-FQEVSTJZSA-N 437.284 5.908 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 699658999 LYUSMQRLXPTZDP-CLOONOSVSA-N 443.588 5.666 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C1 724033173 OYRQJUSUCRCLNM-OPAMFIHVSA-N 435.590 5.215 30 10 IKEE C=C(Cl)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 1722549176 FFXLHWSDKCUDFI-MRXNPFEDSA-N 431.009 5.000 30 10 IKEE Cc1nn(-c2ccccc2)c2c1C(=NOC(=O)c1ccc(Cl)cc1Cl)CC(C)(C)C2 1772728306 FXSVKZJNUKXFJO-UHFFFAOYSA-N 442.346 6.021 30 10 IKEE O=C1/C(=C\c2ccc(F)cc2)SC(=NN=Cc2ccc(Cl)cc2)N1Cc1ccco1 1772757230 BLULKBMRLJLRBD-VZSHRWNXSA-N 439.899 5.579 30 10 IKEE Cc1ccc(-n2cc(/C=N\NC(=S)Nc3ccc(C)c(C)c3)c(-c3cccs3)n2)cc1 1857811878 IHMFKEQDJUPQSE-QFEZKATASA-N 445.617 5.847 30 10 IKEE CCCCCCCCCCn1cc(OCCCOc2cccc(C)c2)c(=O)cc1C(=O)O 1857891603 ZIINJVWFUKWRKJ-UHFFFAOYSA-N 443.584 5.844 30 10 IKEE CCc1ccc(CCC(=O)N(CCCOC)[C@H](C#N)c2cccc(Br)c2)cc1 1857958740 ZSTFVZARXUOIGA-JOCHJYFZSA-N 443.385 5.074 30 10 IKEE N#Cc1ccc(COc2cccnc2NC(=O)Nc2cccc(OC(F)(F)F)c2)cc1 1858865471 FYHIEBDSMUQCHB-UHFFFAOYSA-N 428.370 5.075 30 10 IKEE Cc1ccc(OCC(=O)Nc2cccc3c(OC(=O)c4cccc(C#N)c4)cccc23)cc1 1858922363 ZXIMNGFIMCZNLZ-UHFFFAOYSA-N 436.467 5.257 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)c2ccc(SCC(C)C)cc2)nc2ccccc12 1859750367 YOLJJLCFNKOEJH-UHFFFAOYSA-N 441.560 5.601 30 10 IKEE Cc1nc(-c2ccc(Br)cc2)ccc1C(=O)Nc1sc(C)c(C)c1C#N 1859760972 VRWXQGOPBAZMBZ-UHFFFAOYSA-N 426.339 5.622 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)[C@H](C)Oc1ccc(Cl)cc1 1861670082 LGZWKSGGPFOTKP-SIKLNZKXSA-N 439.040 5.649 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@@H]2c2ccccc2C)cc1 1862429217 IOSSAKULBLESKD-QHCPKHFHSA-N 431.919 5.735 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1c(F)cccc1Cl)c1cccc(Cl)c1 1862449318 JFGGLSYMNQVSES-FQEVSTJZSA-N 448.321 6.044 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC(C)C)c(OC)c1 1862483497 BDRCJBALVWFCJW-UZUQRXQVSA-N 437.536 5.168 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCCCC2)cc1 1862493738 XGVIKBXONXJLEQ-RUZDIDTESA-N 447.575 6.003 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(C(C)(C)C)cc2)c1 1862493886 ABMPUZDOKGXZDG-QPPBQGQZSA-N 447.575 5.358 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(Cl)cc2Cl)ccc1F 1862509032 VSORSFNWELDJAR-FQEVSTJZSA-N 448.321 5.962 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccccc1F 1862530051 MTAHFDTZLYYOPX-HYBUGGRVSA-N 437.555 6.325 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@H]2c2ccccc2)cc1 1862531644 ANSBHTVPQVYZNU-QHCPKHFHSA-N 431.919 5.681 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1[C@H]1CCCC[C@@H]1C 1862544497 FKCFOOSGZLLBRI-VFHOHQAYSA-N 443.587 6.031 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C2CCCC2)c1 1862618513 FQZQDBMKCYPXID-XMMPIXPASA-N 447.575 5.904 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(OC)c(O)c1 1862619284 RREZZHPGPMXGTL-JOCHJYFZSA-N 437.536 5.077 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2cccc(O)c2)cc1 1862663659 VMHRELGSJIJVGS-AVRWGWEMSA-N 441.527 5.855 30 10 IKEE O=C(C1=C(O)C(=O)N(C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccccc1)c1ccc(F)cc1 1862673308 BZKGAAJUJVCTHI-VPUNUDNGSA-N 431.507 5.373 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1c(F)cccc1Cl 1862727938 PICDKRGAWQZFFZ-HSZRJFAPSA-N 449.909 6.133 30 10 IKEE Cc1cc(C2=C(Nc3ccc(F)c(Cl)c3)C(=O)N(c3ccccc3C#N)C2=O)ccc1F 1863100438 NXGLVTUGFUUBMY-UHFFFAOYSA-N 449.844 5.195 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2cccc(C)c2)=C(c2ccc(Cl)cc2)C1=O 1863535789 UTEGNZLXPIKFQO-UHFFFAOYSA-N 438.999 5.879 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](CCCC)NC(=O)[C@H](c1ccc(Br)cc1)C(C)C 1868855242 RIMCKBVLXAXVHO-SFTDATJTSA-N 449.433 5.064 30 10 IKEE N#Cc1ccc(OC2CN(C(=O)/C=C/c3ccc(OCc4ccccc4Cl)cc3)C2)cc1 1869922928 MBLYWTLEVOAECN-NTEUORMPSA-N 444.918 5.094 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)N(C)Cc2ccccc2)c(=O)cc1C 1870092335 LRJRSDRUTHSKKO-UHFFFAOYSA-N 426.601 5.335 30 10 IKEE C=CCOc1cn(CCCCc2ccccc2)c(CNc2ccc(CCCC)cc2)cc1=O 1870809572 JYGJDETUODLDAK-UHFFFAOYSA-N 444.619 6.391 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(F)cc2)c(=O)cc1CNc1ccccc1 1871074006 CNSKEWFGWOMMPR-UHFFFAOYSA-N 436.571 6.539 30 10 IKEE Cc1ccc(C)c(CN2COc3ccc4c(c3C2)O/C(=C\c2ccc(C(C)C)cc2)C4=O)c1 1871348622 JNCLNUDBTYBMLX-VYYCAZPPSA-N 439.555 6.395 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc4c3CN([C@H](C)c3ccc(OC)cc3)CO4)C2=O)cc1 1871354759 ZWOGWVMPMVHFEV-WTTSBOSASA-N 441.527 5.787 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccncc1)C3=O)CN(C13CC4CC(CC(C4)C1)C3)CO2 1871359498 OAFDKGAUHUMDEZ-AQHIEDMUSA-N 428.532 5.127 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871366509 ITZPWHGMGCEBGP-AJRXITOCSA-N 442.467 5.242 30 10 IKEE O=C1/C(=C/c2ccc(Cl)c(Cl)c2)Oc2c1ccc(O)c2CN1CCCC[C@H]1CCO 1871395995 HCWIFLCXTVTQSL-RANIVTSPSA-N 448.346 5.052 30 10 IKEE COc1ccc(OCCCOc2cc(C)c3c(c2)O/C(=C\c2cccc(OC)c2)C3=O)cc1 1871415606 KYMBEAYZOACZOR-XYGWBWBKSA-N 446.499 5.476 30 10 IKEE Cc1cccc(C(C)C)c1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 1871422268 IGCZWKIJDXIHAU-CFRMEGHHSA-N 445.490 5.891 30 10 IKEE CCCC[C@@H](Oc1cc(C)c2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O)C(=O)O 1871423450 SNQYTVCLJZKWJQ-CNQPKBAFSA-N 435.303 5.940 30 10 IKEE O=C1/C(=C/c2cccc(Cl)c2)Oc2cc(OCc3nc(O)c4ccccc4n3)ccc21 1871430372 ILDCTMSGKYJKPC-NHDPSOOVSA-N 430.847 5.184 30 10 IKEE Cc1cc(-c2csc([C@@H](C#N)C(=O)COc3cc(Cl)ccc3Cl)n2)ccc1F 1872771811 CROZEGQPWMRGGF-AWEZNQCLSA-N 435.307 5.820 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(Cl)cc3)n2)cc1Cl 1872789647 PUNOSYHWQWDECS-OAHLLOKOSA-N 433.316 5.381 30 10 IKEE CCCCCCCCC(=O)Nc1nc(C)c(-c2nc(-c3ccc(OC)cc3)no2)s1 1873447847 AJRXEXFUMCJXST-UHFFFAOYSA-N 428.558 5.866 30 10 IKEE O=C(N[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1873465827 VHSTWEFOCRQRAD-GJZGRUSLSA-N 441.293 6.029 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C(C)(C)C)cc2)cc2c(NCCCCCCO)ncnc21 1873642608 CEUGTBPRPHKJNZ-UHFFFAOYSA-N 449.599 5.132 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C(F)(F)F)cc2)cc2c(N(C)CCCC)ncnc21 1873665386 MUPPIZWTLKJEBC-UHFFFAOYSA-N 431.462 5.125 30 10 IKEE CCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccc(N(C)C)cc1 1874216182 NEOSNSCYTFPUHO-LFVJCYFKSA-N 444.004 5.003 30 10 IKEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1cccc(OCCC)c1 1874283457 IUFLEMUDBSZBMT-KOEQRZSOSA-N 441.000 5.666 30 10 IKEE CCCSc1nnc(CCc2ccccc2OC)n1/N=C/c1ccccc1OC(C)C 1874313741 LKNSSGPAAAACAT-KOEQRZSOSA-N 438.597 5.243 30 10 IKEE C=CCSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1ccc(OCCC)cc1 1874321507 VOKKSBVYDWYSJI-PCLIKHOPSA-N 436.581 5.423 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3)n2/N=C/c2cccc(O)c2)cc1C 1874330100 LARACAMDWOAPAB-WPWMEQJKSA-N 442.588 5.560 30 10 IKEE Clc1ccc(CSc2nnc(CCOc3ccccc3)n2/N=C/c2ccccn2)cc1 1874347255 FHYDETNHYFKGBB-WGOQTCKBSA-N 449.967 5.123 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OC)cc2)n1/N=C/c1ccccc1OCCC 1874350002 PHRWYCKUGQDUKL-PCLIKHOPSA-N 436.581 5.217 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3C)n2/N=C/c2ccc[nH]2)c1 1874362352 ADWCSHBGMGFQLX-JVWAILMASA-N 429.593 5.491 30 10 IKEE Fc1ccc(CSc2nnc(CCc3cccs3)n2/N=C/c2ccccc2F)cc1 1874368523 FLJAMBFDYPLUGG-AFUMVMLFSA-N 440.544 5.578 30 10 IKEE Cc1ccsc1/C=N/n1c(Cc2ccc(F)cc2)nnc1SCc1ccccc1F 1874380148 YUDIFEPBWPEWNS-DHRITJCHSA-N 440.544 5.692 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(Cc2ccccc2)n1/N=C/c1ccccn1 1874419926 LPRZDJDGRRTQHK-VULFUBBASA-N 437.931 5.231 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2-c2cccs2)cc1 1874422087 UFCWKYLNXZVBSY-PCLIKHOPSA-N 448.617 6.278 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2-c2ccccc2)cc1 1874426890 GAWITVYKEYPHEZ-WGOQTCKBSA-N 432.524 5.657 30 10 IKEE CC(C)(C)Cc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1cccc(Cl)c1 1874436679 MOGQJVLXZXRKTC-ZVHZXABRSA-N 441.988 5.133 30 10 IKEE CCOc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccccc2Cl)cc1 1874438851 WYWXUMWTZBSWRN-MFKUBSTISA-N 443.016 6.093 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccccc1C(=O)O 1874440583 JPNYJIXTAAAEGD-ZMOGYAJESA-N 442.972 5.393 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc([C@@H]2CCCO2)n1/N=C/c1ccccc1 1874449340 ZLKBOPOJUWUELR-KCDOPAPYSA-N 433.364 5.611 30 10 IKEE Clc1cccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2[C@H]2CCCO2)c1 1874450195 VUIQEQCTZUZWCP-QVGKIPNLSA-N 448.979 6.111 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1cccc(OC)c1OC 1874478617 JIOQIPQSMUTADL-ZVHZXABRSA-N 444.988 5.466 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(SCc2ccccc2F)nnc1C(C)(C)C 1874484184 JOMPWNPNTGWYAU-AFUMVMLFSA-N 426.561 5.676 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(CC(C)C)n1/N=C/c1sccc1C 1874488951 RTXOYHRNZPKFTG-YDZHTSKRSA-N 441.626 5.022 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)C)n2/N=C/c2ccc(C(C)(C)C)cc2)c1 1874489726 HHVSSSGCCVHBLZ-JVWAILMASA-N 434.653 6.565 30 10 IKEE CCOc1cccc(/C=N/n2c(CC(C)C)nnc2SCc2c(F)cccc2Cl)c1 1874491849 LZYXKGRZLZIZFY-DHRITJCHSA-N 446.979 5.842 30 10 IKEE COc1ccc(OC)c(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CC2)c1 1874520915 RISJVALXDRAVFR-CVKSISIWSA-N 444.560 5.500 30 10 IKEE CCN(Cc1ccccc1)c1ccc(/C=N/n2cnnc2SCc2ccccc2F)cc1 1874538546 KSHSJSHHIAYOJR-LQKURTRISA-N 445.567 5.618 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(Br)cc(OC)c2OCCC)cc1 1874579749 GIFIGWNLIZMENA-DHZHZOJOSA-N 433.342 5.931 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc3c(c2)OCO3)c1OCc1ccccc1C 1874582801 HVEWHRGSHWAPIZ-VQHVLOKHSA-N 436.891 5.861 30 10 IKEE Cc1ccc(NC(=O)COc2cccc(/C=C/C(=O)c3cccc4ccccc34)c2)c(C)c1 1874597340 GYCGBUIKENDTPZ-JQIJEIRASA-N 435.523 6.370 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc1OCc1cccc(C)c1 1874600563 SEGQQXOQLNZINY-CSKARUKUSA-N 436.935 6.449 30 10 IKEE O=C(/C=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)c1cccc([N+](=O)[O-])c1 1874602022 PXMHRWOZYAWISV-FMIVXFBMSA-N 428.271 6.377 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1OCc1ccccc1C 1874616514 FAHHVVVYEGYIDB-SDNWHVSQSA-N 431.488 6.085 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2OCC)o1 1874618125 LFTNDIMMFVXMTA-FMIVXFBMSA-N 448.515 5.947 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1 1874622766 UDPOLICHLBQPBD-MKMNVTDBSA-N 449.934 7.021 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccc(OCc2ccccc2)c(Cl)c1 1874628486 GOMAEAQIDOSYJC-VQHVLOKHSA-N 447.745 7.131 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(OC)c1OCC(=O)N(CC)CC 1874635546 ROIDBJLVAACAOQ-OUKQBFOZSA-N 449.591 5.492 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)c2)cc1 1874693347 AIEWCDRRIWKCHT-CXUHLZMHSA-N 440.495 5.606 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2)cc1C 1874696475 XWNOHVLXHXCTRD-YRNVUSSQSA-N 431.444 5.336 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccccc2C)c1 1874709285 FATPFYFPNKQJBJ-FYWRMAATSA-N 428.528 6.416 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1OC(=O)c1ccc(C)cc1 1874711475 ANIPDSZHEMNLQS-UKTHLTGXSA-N 428.528 6.353 30 10 IKEE CCCOc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C)c(C)c3)c2)cc1 1874713929 VFQLTUKXCOTBJQ-RVDMUPIBSA-N 428.528 6.136 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(OC)cc2)CSc2nnc(CCC)n21 1874860358 JBIWLAFTEGUWAS-HXUWFJFHSA-N 430.618 5.301 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1cccc(C)c1 1875095906 NJYKBCUYSSANEW-RVDMUPIBSA-N 436.507 6.662 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3ccco3)c(Br)c2)c1 1875101471 BXFVLOFXYCBVRV-VQHVLOKHSA-N 427.250 5.166 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(Cl)c(C)c3)cc2)cc1 1875103840 RUAGGWXVLPWCFA-OVCLIPMQSA-N 434.919 6.091 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)c1ccc(C)c(C)c1 1875136027 TXKOEWUVOFWVFH-UKTHLTGXSA-N 448.946 6.779 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3sccc3C)c(Cl)c2)cc1 1875137514 PXIQRPGRDNNMKK-ONNFQVAWSA-N 440.948 6.614 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)[C@H]3C[C@H]3c3ccccc3Cl)cc2)c1 1875138445 WLSNPTZWTSBYHC-RGWLYMAXSA-N 430.931 6.562 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)C3CCC3)c(Br)c2)c(C)c1C 1875167178 SKBDRBPKIDMYGN-JXMROGBWSA-N 443.337 5.676 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cc(OC)c(OC(=O)CC(C)C)c(OC)c1 1875180739 WFBRASUMKJVHDK-BQYQJAHWSA-N 446.927 5.522 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)c1cccs1 1875182565 JYMNFHWSGAKGHB-CMDGGOBGSA-N 436.529 5.806 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc1Br 1875188133 OMWWPGJSLUCCLT-CSKARUKUSA-N 445.353 6.066 30 10 IKEE CCCC[Sn](CCCC)(CCCC)c1ccc(C2CC2)c(C#N)c1 1885688312 YSGWUFCOIWRIEI-UHFFFAOYSA-N 432.240 6.492 30 10 IKEE C#Cc1cc(N(C)C(=O)OCC2c3ccccc3-c3ccccc32)cc(CC(=O)OC)c1C 1887521494 TZFYQTHLUGATFU-UHFFFAOYSA-N 439.511 5.077 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1ccc(CCNC(=O)OC(C)(C)C)cc1 1922075858 ACEUMRVOOKUKKH-VWLOTQADSA-N 438.612 5.568 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1scc(Br)c1C 1923017886 FGENCQMZBOMUHO-JKSUJKDBSA-N 431.440 5.719 30 10 IKEE CC[C@H](NC(=O)OC(C)(C)C)[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1936068221 YDQAAENDBXBYEU-HTAPYJJXSA-N 437.968 5.667 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@H](CNC(=O)OC(C)(C)C)CC(C)C)cc1 2033647189 AHGBSBBDWUXKEA-CTNGQTDRSA-N 445.604 5.816 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C=O)(Cc2ccc(Cl)c(Br)c2F)C1 2047984181 DUWFICJJRZBIFF-SFHVURJKSA-N 434.733 5.000 30 10 IKEE CC#CCCCC(=O)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2073679613 QGUKHDFMTXCCMD-MUUNZHRXSA-N 428.528 5.641 30 10 IKEE C#CC[C@@H](C[C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1)C1CC1 2076108088 UXQQALSOPBRCGQ-WAABAYLZSA-N 442.644 5.293 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)[C@@H]1C(C)(C)C 2076161438 OBAMUDIZTUTSCN-MHECFPHRSA-N 447.551 5.495 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@@H](C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2077946970 BRQXGDWGCVIUHC-OALUTQOASA-N 447.551 5.495 30 10 IKEE N#Cc1c(C(F)(F)F)nn2c(Cl)cc(-c3cc(C(F)(F)F)cc(Cl)n3)nc12 2081266242 YRKGYHODWJWDFC-UHFFFAOYSA-N 426.107 5.007 30 10 IKEE Cc1cc(NC(=O)c2cscc2OCc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2100090957 FFLXFLJNGICJEW-UHFFFAOYSA-N 449.381 5.187 30 10 IKEE CCCC1(Nc2cc(Br)cc(F)c2C#N)CCN(C(=O)OC(C)(C)C)CC1 2163690524 VDBZRWOXDKLHID-UHFFFAOYSA-N 440.357 5.442 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CN(c2cccc(Br)c2C#N)C2(CCCCC2)C1 2174808647 QMNJNGSRBXKPDC-OAHLLOKOSA-N 434.378 5.127 30 10 IKEE C#CCCN(C(=O)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1)C1CCCC1 2180044430 UVXZQZZVKBHANO-UHFFFAOYSA-N 435.362 5.204 30 10 IKEE C=CCC[C@@H](NCCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229117930 GAKUNNZGGVVSDX-RTBURBONSA-N 425.411 5.219 30 10 IKEE C=C([C@@H](NC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)C(C)(C)C 2229133444 JQGJZKJWGCTCOB-ZWKOTPCHSA-N 425.411 5.075 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)[C@@H](C)CN(CC)C(=O)OC(C)(C)C 2235730407 OPUOFDWNKXSMAW-PXNSSMCTSA-N 437.422 5.062 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Br)cc([C@@H](N)C#Cc2ccccc2Cl)c1 2277844333 HCODKCPGYFNBQG-SFHVURJKSA-N 435.749 5.501 30 10 IKEE C=CCN(CC[C@@H](NCCC)c1ccc(Br)c(OC)c1)C(=O)OC(C)(C)C 2281453861 DVKXVFHFIGMPJW-GOSISDBHSA-N 441.410 5.312 30 10 IKEE CC(C)(C)OC(=O)N1CCc2cc(Nc3c(Br)cccc3C#N)ccc2C1 2285171761 QKCLGRHHHRMPFF-UHFFFAOYSA-N 428.330 5.358 30 10 IKEE C=CC[C@@]1(COc2cc(F)cc(Br)c2N)CCCN(C(=O)OC(C)(C)C)C1 2287764608 LNVHODIRYLKOPG-HXUWFJFHSA-N 443.357 5.143 30 10 IKEE CC(C)(C)OC(=O)NCC1(CC(=O)C#Cc2cccc(Br)c2)CCCCC1 2296228846 CWCGTQMIIHIVBF-UHFFFAOYSA-N 434.374 5.235 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@H](CCC)N(C)C(=O)OC(C)(C)C 2296304386 GSXYCWHLEUDNNY-UXHICEINSA-N 437.422 5.204 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)C[C@@H](NC(=O)OC(C)(C)C)C(C)C 2296309674 YYIJFEZQHKHPHZ-WOJBJXKFSA-N 437.422 5.108 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(-c4ccccc4)cc2)C3=O)cc1 2296844774 FPHSGYSTLOCTAV-UHFFFAOYSA-N 448.474 6.198 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)N(c4ccccc4)c4ccccc4)ccc3C2=O)cc1 2296871052 DJGZNIWQEZUDTO-UHFFFAOYSA-N 447.490 6.948 30 10 IKEE O=[N+]([O-])c1cc(-c2ccc(C=Nc3ccc(Cl)c(C(F)(F)F)c3)o2)ccc1Cl 2297708304 UQMQMVLUAIYLNB-UHFFFAOYSA-N 429.181 6.931 30 10 IKEE C=CCN1C(=O)C(=Cc2c(Cl)cccc2Cl)SC1=Nc1cccc(C(=O)O)c1 2314547074 CKBFHZHZJCJEMO-UHFFFAOYSA-N 433.316 5.482 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C)n2N=Cc2ccc(Cl)cc2Cl)c(C)c1 2321202205 ODIGHMOMZMZWOE-UHFFFAOYSA-N 448.379 5.123 30 10 IKEE Cc1c(OCc2ccccc2F)ccc2c1OC(=Cc1ccc(Cl)cc1Cl)C2=O 2321795423 PYTQADXZDUBXNF-UHFFFAOYSA-N 429.274 6.636 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1c(Cl)cccc1Cl)O3)CN(C1CCCC1)CO2 2322016179 SQVMDNNUMJSKNP-UHFFFAOYSA-N 430.331 6.013 30 10 IKEE O=C1C(=Cc2ccccc2Br)Oc2c1ccc1c2CN(C2CCCCC2)CO1 2322016223 JVIONHDYGQNABW-UHFFFAOYSA-N 440.337 5.550 30 10 IKEE COc1ccccc1CN1COc2c(cc3c(c2C)OC(=Cc2ccccc2C)C3=O)C1 2322319002 VCLSNIJTLTXGJD-UHFFFAOYSA-N 427.500 5.280 30 10 IKEE C[C@@H](NC(=O)COc1ccccc1C=CC(=O)c1ccc2c(c1)CCCC2)c1ccccc1 2322328562 VFOQAZHPSRHBGC-OAQYLSRUSA-N 439.555 5.718 30 10 IKEE Cc1ccsc1C=C1Oc2c(cc3c(c2C)OCN(CCCCN2CCCC2)C3)C1=O 2322381367 CJDAHUINXVQTBH-UHFFFAOYSA-N 438.593 5.009 30 10 IKEE CCCCOCCCN1COc2c(cc3c(c2C)OC(=Cc2ccc(C(C)C)cc2)C3=O)C1 2322391379 GFLMUUWTGWKFEG-UHFFFAOYSA-N 449.591 6.093 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(F)cc2F)c1OCc1ccc([N+](=O)[O-])cc1 2322502631 VOFVBGFNQCYVKG-UHFFFAOYSA-N 425.387 5.357 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(Cl)cc2)c1OCC(=O)Nc1ccccc1F 2322542336 AUUSPEOTVISGPQ-UHFFFAOYSA-N 439.870 5.401 30 10 IKEE Cc1cc(C(=O)C=Cc2cc(Br)ccc2OCc2ccccc2F)ccc1F 2322624268 CZVVMYRPLKMPOJ-UHFFFAOYSA-N 443.287 6.511 30 10 IKEE CCOc1c(Br)cc(Br)cc1C=CC(=O)c1ccc(C)c(C)c1 2322890006 IGOIEVXTPFOPSE-UHFFFAOYSA-N 438.159 6.123 30 10 IKEE CCOc1c(C=CC(=O)c2cc(Cl)ccc2Cl)cc(Br)cc1OC 2323005171 MALYUBNLQDIOCM-UHFFFAOYSA-N 430.125 6.059 30 10 IKEE COc1ccc(C=CC(=O)c2cccc3ccccc23)cc1OCC(=O)Nc1ccccc1 2323202814 MLYJEEAIJTWXHN-UHFFFAOYSA-N 437.495 5.762 30 10 IKEE COc1ccc(-c2cc(O)nc(NN=Cc3ccccc3OCc3ccc(C)cc3)n2)cc1 2323260270 OCTCYFIWPGLSDT-UHFFFAOYSA-N 440.503 5.191 30 10 IKEE Cc1c(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(Cl)cc2)C3=O)cccc1[N+](=O)[O-] 2323261863 UFSDUQSWSDZXBC-UHFFFAOYSA-N 449.846 5.700 30 10 IKEE COc1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(OC)c2)C3=O)cc1 2323423565 IJHJZEFVCCMMPM-UHFFFAOYSA-N 442.467 5.247 30 10 IKEE CCCOc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccncc2)C3=O)cc1 2323459175 YKCRDTVGRMQTPO-UHFFFAOYSA-N 427.456 5.105 30 10 IKEE COc1cccc(-c2csc(NN=Cc3ccc(OC)c(OC)c3Br)n2)c1 2323840313 LSGARYWGUGUHCE-UHFFFAOYSA-N 448.342 5.044 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)cc(Cl)c1OCC 2324331277 WZGUHQCEXHIMBB-UHFFFAOYSA-N 429.727 6.349 30 10 IKEE CC(C)c1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 2324394976 CQAWZDXPOVALSX-LJQANCHMSA-N 441.383 7.130 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccccc4Cl)c3C)C2=O)o1 2324397546 VHHOOIRTSDINLS-HNNXBMFYSA-N 437.879 5.572 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2)cc2c1C(=O)C(=Cc1ccccc1Cl)O2 2324404200 GSYLDYSGDOWVEB-INIZCTEOSA-N 433.891 5.671 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(OCC)cc3)n2)cc1 2324404210 IMWJABWYWMVWMS-HSZRJFAPSA-N 430.573 6.441 30 10 IKEE Cc1cccc(OCCCOc2ccc3c(c2C)OC(=Cc2ccc4c(c2)OCO4)C3=O)c1 2324561538 GYKXGBYJQBBMMC-UHFFFAOYSA-N 444.483 5.496 30 10 IKEE Cc1c(OCC(=O)N[C@@H](C)c2ccccc2)ccc2c1OC(=Cc1cccc(F)c1)C2=O 2325019631 LHUSDDFVBLSAAP-KRWDZBQOSA-N 431.463 5.007 30 10 IKEE CCCCCCCCCOc1ccc2c(c1C)OC(=Cc1c(F)cccc1Cl)C2=O 2325196038 YRNBCWAPJZHXRQ-UHFFFAOYSA-N 430.947 7.533 30 10 IKEE CCCCC1CCC(C(=O)Oc2cccc(C=CC(=O)c3ccc4ccccc4c3)c2)CC1 2325700353 KCOIIWHMCKOLKV-UHFFFAOYSA-N 440.583 7.638 30 10 IKEE O=C(COCc1ccccc1)Oc1cccc(C=CC(=O)c2ccc(Cl)cc2Cl)c1 2325709876 PZMJXRYOGLSELC-UHFFFAOYSA-N 441.310 6.012 30 10 IKEE Cc1cc(C(=O)C=Cc2cccc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2)ccc1F 2325742038 OODCSNJNOFGATJ-UHFFFAOYSA-N 439.826 5.811 30 10 IKEE Cc1ccc(C)c(OCC(=O)Oc2cccc(C=CC(=O)c3ccc(C(C)C)cc3)c2)c1C 2325750709 LNSHSLAZVGUTPF-UHFFFAOYSA-N 442.555 6.616 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc3cc(Cl)ccc3n2)c1)c1ccc(F)c(F)c1 2325753647 UUPRTWVGXUJRDB-UHFFFAOYSA-N 449.840 6.282 30 10 IKEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)C[C@@H]2CCCC[C@@H]2N(C(=O)OC(C)(C)C)C1 2326071663 DXNMBJUXJBBVNC-AOJNWGRGSA-N 442.600 5.088 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(OC(C)=O)cc1 2326637647 LCVOXGISTRDHLG-UHFFFAOYSA-N 430.533 5.094 30 10 IKEE Cc1ccc(CSc2nnc(CCCOc3cccc(C)c3)n2N=Cc2ccc[nH]2)cc1 2326963810 PBVMAYISAIBINU-UHFFFAOYSA-N 445.592 5.409 30 10 IKEE CCCOc1ccc(C=Nn2c(CCc3ccc(Cl)cc3)nnc2SCCC)cc1 2328075550 GZQQYILTHZLAJM-UHFFFAOYSA-N 443.016 5.890 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1ccc(C(=O)O)cc1 2328179551 BHJVHQNAXFQVOO-UHFFFAOYSA-N 426.586 5.601 30 10 IKEE CCCCC1CCC(c2nnc(SCC(=O)OCCC)n2N=Cc2cccn2C)CC1 2328218733 RCOPSLFSLFJMHY-UHFFFAOYSA-N 445.633 5.008 30 10 IKEE CCCOc1ccccc1C=Nn1c(COc2cccc(C)c2C)nnc1SCCC 2328863625 CWIXRCWPUBNLSU-UHFFFAOYSA-N 438.597 5.647 30 10 IKEE N#Cc1cccc(C(=O)Oc2cccc3c(NC(=O)C=Cc4cccc(F)c4)cccc23)c1 2329740816 QMNQELPWRJSFSI-UHFFFAOYSA-N 436.442 5.722 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SCC)nnc2-c2cccs2)cc1OCC 2330572046 PNVSIXMASGCPCF-UHFFFAOYSA-N 444.626 5.969 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccccc3)n2N=Cc2c[nH]c3ccccc23)c1 2330674726 SDBPQWKKQLSVIZ-UHFFFAOYSA-N 437.572 6.218 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3)c(Cl)c2)cc1 2330831119 UBIQMUZCAUEDRX-UHFFFAOYSA-N 436.910 6.937 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)c(OC)c2)cc1 2330992484 PGGQYXPSWXYYRO-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)c1ccc(-c2ccccc2)cc1 2331179146 ISVYULLJFCAKCE-UHFFFAOYSA-N 448.518 6.868 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)c1cc(OC)cc(OC)c1 2331281821 UXOBNRSCCSLLKK-UHFFFAOYSA-N 446.499 5.526 30 10 IKEE COCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccccc1C 2331307242 VXBPHIJCUYMFNI-UHFFFAOYSA-N 435.380 5.257 30 10 IKEE CCCCc1nnc(SCC)n1N=Cc1ccccc1OCc1ccccc1Cl 2331331554 NJEAJVJWVRIOAY-UHFFFAOYSA-N 428.989 5.847 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)c3ccc(-c4ccccc4)cc3)cc2)ccc1F 2331331962 NTFZLXRVPLETEZ-UHFFFAOYSA-N 436.482 6.916 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OC(=O)c1sccc1C 2331485773 YEBZERNBNHDHFM-UHFFFAOYSA-N 428.509 6.334 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SCCc3ccccc3)nnc2C2CCC2)cc1 2331529262 SMVVJZSYCDUSRZ-UHFFFAOYSA-N 448.636 6.332 30 10 IKEE COCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccccc1OC(C)C 2331592559 XMXKGMOVZDGTFQ-UHFFFAOYSA-N 446.576 5.539 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(C)c3C)cc2)cc1 2331611939 CQFIKVRIWWTLKT-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)c1cccnc1 2331711384 BUAAKSDASLDEHQ-UHFFFAOYSA-N 427.500 5.551 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)c1ccc(F)cc1 2331711445 KYOROXCCVLYROP-UHFFFAOYSA-N 444.502 6.295 30 10 IKEE CSCCCC(=O)Oc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1[N+](=O)[O-] 2331770348 KTRSFCBCBCVBQG-UHFFFAOYSA-N 427.522 5.465 30 10 IKEE Cc1cc(C)c(Cn2nnc(C#N)c2NC(=O)C=Cc2ccc(Cl)c(Cl)c2)c(C)c1 2332148819 JUVMOZNENLTZPC-UHFFFAOYSA-N 440.334 5.082 30 10 IKEE CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339597363 QEKKSUSBKXDKRO-OALUTQOASA-N 446.397 5.187 30 10 IKEE N#Cc1ccc(Br)cc1OCc1ccc(Cl)cc1I 2340081341 DERZSFPWQZFWJF-UHFFFAOYSA-N 448.485 5.158 30 10 IKEE Cc1ccc(N2C(=S)N/C(=N\c3ccc(C)c(Br)c3)C23CCCCC3)cc1 8387267 LIWMOUWWRFKXIJ-UHFFFAOYSA-N 442.426 6.194 30 10 IKEE CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1 9779431 FQFPHGIEPQTZQF-DFHRPNOPSA-N 436.555 6.243 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)CCSc2n[nH]c(N/N=C(\C)c3ccccc3)n2)cc1 20835149 PSPKLEHPRCIZSH-MSZQUAHTSA-N 436.585 5.275 30 10 IKEE COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2c[nH]c3ccccc23)c1 21231154 SIXAYANJBIKLBF-KWMCUTETSA-N 435.527 6.156 30 10 IKEE CCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(CC)cc2)C3)cc1 21259898 JUUOYHNSLYRLFQ-PZGXJGMVSA-N 438.571 6.627 30 10 IKEE CC1=CC(=O)C(=O)C2=C1O[C@@]1(C2)[C@@H](C)CC[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]21C 29486225 LLWMPGSQZXZZAE-JZFVXYNCSA-N 426.597 5.147 30 10 IKEE Cc1ccccc1CN1C(=O)[C@@](O)(CC(=O)/C=C\c2ccccc2)c2cc(Cl)ccc21 33392543 VBOAJZKGULBSLR-LHPDUPQPSA-N 431.919 5.055 30 10 IKEE Cc1ccc(Cn2c(O)c(C(=O)c3oc4ccc(Cl)cc4c3C)c(C)c(C#N)c2=O)cc1 38624471 VVYYKJZDARNRPW-UHFFFAOYSA-N 446.890 5.030 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1cccs1)C2=O)c1ccc(Br)cc1 39754374 XBCHHEMREKTKNS-JAIQZWGSSA-N 441.302 5.389 30 10 IKEE CC[C@@H](Sc1nnc2cc(C)c3ccccc3n12)C(=O)Nc1sc(C)c(C)c1C#N 40170157 WLWKCMBZQVVFRX-GOSISDBHSA-N 435.578 5.250 30 10 IKEE C[C@@H]1Oc2ccc(-c3csc(-c4ccccn4)n3)cc2N(Cc2ccccc2C#N)C1=O 40603311 ZYSYLWSEJZOTMD-INIZCTEOSA-N 438.512 5.058 30 10 IKEE C=CCOc1ccc(NCC(=O)NCCCCCCCCCCCCCCCC)cc1 100077920 ZGRGMSACXRRGIA-UHFFFAOYSA-N 430.677 7.261 30 10 IKEE CCCCCCCCCCCn1c([C@H](C)NC(=O)/C=C\c2ccccc2)nc2ccccc21 102124395 LPLKXXNDHDZZDD-MEXPUSLVSA-N 445.651 7.458 30 10 IKEE COc1cc(OC)c(OC)cc1/C=C1/Oc2cc(OC/C=C/c3ccccc3)ccc2C1=O 102732359 OFJJUNUHELSILW-INIGBHMASA-N 444.483 5.421 30 10 IKEE COC(=O)c1ccc(/C=C2/Oc3cc(OCC(=O)c4ccc(Cl)cc4)ccc3C2=O)cc1 103017882 LZINUTKQGSDHOE-FSJBWODESA-N 448.858 5.005 30 10 IKEE CCCCCCCC(=O)NN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S 103035932 NTJKHOOIWJRPBH-NTCAYCPXSA-N 441.416 5.042 30 10 IKEE CCCCCCCCCCCCCCCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 105656369 SHUWBHDMDRBSJU-UHFFFAOYSA-N 444.616 7.452 30 10 IKEE CCCCCCCCCOc1ccc(-c2nc3cc(OC)ccc3[nH]2)cc1Br 169940566 QOPRAHCFKXQDBO-UHFFFAOYSA-N 445.401 7.130 30 10 IKEE CCOc1cc(/C=C2\CN(Cc3ccccc3)CCC2=O)cc(Cl)c1OCC(C)C 169943013 BSQZFUSEGJQLPM-CIAFOILYSA-N 427.972 5.632 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2cccs2)cc1 169982125 ZZCGNKKPDAZWHJ-QFIPXVFZSA-N 432.545 5.159 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2cccnc2)s1 170003069 MEPYPRBMQLJNLO-FQEVSTJZSA-N 433.533 5.061 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@H]1c1ccncc1)c1ccc(Cl)cc1 170018354 GJYJOTJWDVOIQU-IBGZPJMESA-N 443.261 5.310 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(F)cc2)cc1 170065348 MOZXMSMLHDUGCE-QHCPKHFHSA-N 449.453 5.142 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccccc2F)cc1 170069572 NFLLNRUEDZYPFL-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2sccc2C)cc1C 170107639 QHMSNBICZAXJRO-HXUWFJFHSA-N 427.566 5.067 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@H]1c1cccs1 170158144 ZBTIDGSXXGLNDQ-QFIPXVFZSA-N 449.528 5.165 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)c1 170159481 DGXKHVGFEHVEMZ-JOCHJYFZSA-N 433.529 5.628 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccs1 170159969 AZTJNGYADNZYGE-LJQANCHMSA-N 425.893 5.193 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2cccs2)c1 170160466 URNVEVTZRMUNAU-HSZRJFAPSA-N 441.508 5.698 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1cccc2ccccc12 170220717 FJHUGMHDBYIPSH-VWLOTQADSA-N 443.543 6.005 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1c[nH]c2ccccc12 170256067 XRPPNWMOZQEZAX-RUZDIDTESA-N 438.527 6.090 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2c[nH]c3ccccc23)cc1C 170256636 NNXXBUYEGQOLRI-DEOSSOPVSA-N 444.531 5.314 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1cccc(O)c1 170259462 KESVWUDPNWJYOR-HSZRJFAPSA-N 443.499 5.109 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2C)cc1OC 170272423 ZRCGHEMTDIGMRG-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccco2)cc1C(C)C 170283563 UNWAPRODVIVXCH-HSZRJFAPSA-N 447.487 5.209 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1ccco1 170290258 GHOIAGYOWRTKSM-OAQYLSRUSA-N 433.847 5.771 30 10 IKEE C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OCCC)c(C)c3)=C(O)C(=O)N2CCC)c1 170324461 CNTVTSAESHDXJH-DEOSSOPVSA-N 449.547 5.337 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 170342372 VACODEYEENEMOT-QHCPKHFHSA-N 430.504 5.217 30 10 IKEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@H]3c3ccc(OC(C)C)cc3)nc2c1 170474577 XBZKUVPUZUIMNZ-HSZRJFAPSA-N 447.535 5.174 30 10 IKEE COc1ccc(OC)c(/C=C2/SC(=Nc3cccc(C)c3)N(c3cccc(C)c3)C2=O)c1 252640616 YVSUAAIWHCGNFG-GUGSDYAWSA-N 444.556 6.129 30 10 IKEE C=CCn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nnc1C(C)(C)C 253560347 ARODODMQAQNEFW-UHFFFAOYSA-N 436.606 5.683 30 10 IKEE C=CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1ccc2ccccc2c1 253576432 VVIFEQWBADKSBM-UHFFFAOYSA-N 448.979 5.977 30 10 IKEE CCOc1ccc(-c2nc3cc(N=Cc4cc([N+](=O)[O-])cc(OC)c4O)ccc3o2)cc1 254413542 UHYIBWFHKGPWIQ-UHFFFAOYSA-N 433.420 5.267 30 10 IKEE Cc1cccc(N=C2S/C(=C3\Sc4ccccc4N3C)C(=O)N2C2CCCCC2)c1 254472986 XBHTYHCLKUPMKQ-SEYIQKDNSA-N 435.618 6.302 30 10 IKEE Clc1ccccc1C=Nc1ccc(-c2ccc(N=Cc3ccccc3Cl)cc2)cc1 254491315 GQKVLCYBPQSKBZ-UHFFFAOYSA-N 429.350 8.162 30 10 IKEE Cc1ccc(SC2=C(Nc3ccc(F)c(F)c3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 526662668 GMUYNWPBFSOUJU-UHFFFAOYSA-N 447.466 5.134 30 10 IKEE CCOc1cc(/C=N\n2c(C)nnc2SCc2ccc(C)cc2)cc(Cl)c1OC 526804426 SGFDCZLVOAVKSD-FMCGGJTJSA-N 430.961 5.130 30 10 IKEE Cc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)c(Cl)c1 698406725 RGUYLJRTIPIDCB-GOSISDBHSA-N 435.749 6.417 30 10 IKEE C[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Br)c2)c2ccccc21 698455646 FSBRYHRZSSQKME-NYHFZMIOSA-N 427.342 6.117 30 10 IKEE C[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)CCN1C(=O)OC(C)(C)C 698830207 IIUPRFSPYSKFNL-WAIKUNEKSA-N 433.524 5.249 30 10 IKEE CC1(C)CC(=O)[C-]([C@@H](C2=C(O)CC(C)(C)CC2=O)c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)C1 1088705632 XRDXZLVLPXKODS-LJQANCHMSA-N 446.907 5.066 30 10 IKEE C=CCCC1(CNC(=O)[C@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)CCCC1 1528534995 SNAKVKRGJCXVTJ-INIZCTEOSA-N 433.643 5.278 30 10 IKEE Fc1ccccc1-n1cc(/C=N\NC(=S)Nc2ccc(Cl)cc2)c(-c2ccccc2)n1 1857810499 LODMBGAAUHZUNC-WGARJPEWSA-N 449.942 5.652 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCC)NC(=O)COc1ccc(OC)cc1C(C)(C)C 1861623362 GWIAPLJIAWWBHJ-JOCHJYFZSA-N 448.648 5.133 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)[C@H](C)Oc1ccccc1C(C)C 1861655588 XKTHQDUINHWVKR-JTHBVZDNSA-N 432.649 5.729 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cccc2ccccc12 1861722184 KKCKJIPZDZDGPN-AREMUKBSSA-N 448.582 5.797 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(C)cc2)cc1 1862390043 UNLMGZCUSCIKDN-XMMPIXPASA-N 445.584 6.178 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2ccc(C(C)C)cc2)cc1 1862395781 YKFQJHKZYREYIU-KOSHJBKYSA-N 435.564 5.112 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(F)c1 1862444728 GBUQELHWOJYCCJ-IVZQSRNASA-N 435.882 5.819 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1cc(Cl)cc(Cl)c1)c1c(F)cc(F)cc1F 1862466934 DIXVNPAYDXNMRF-KRWDZBQOSA-N 442.220 5.151 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1C(=O)O 1862477738 QSMRRMZSZPFHSB-AUSIDOKSSA-N 449.547 5.630 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862489125 PYBUUMRNAXUYGD-SANMLTNESA-N 443.587 6.335 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccc(Cl)cc2)c1 1862490758 DAWVYKFCTRPMJV-DEOSSOPVSA-N 445.946 6.044 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(Cl)c(Cl)c1 1862508938 UEPUYPFIKKVPAN-CWTRNNRKSA-N 436.310 5.818 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(F)cc1 1862590554 LBWJZXXHOKZFLZ-JOCHJYFZSA-N 425.500 5.470 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@@H]1c1ccccc1)c1ccc2c(c1)OCCO2 1862605521 WMCJHOCMLNDZTH-XMMPIXPASA-N 447.531 5.149 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(F)cc2F)cc1F 1862640148 DNTRSSYNFBFERJ-NRFANRHFSA-N 445.437 5.024 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(F)cc2)=C(O)C(=O)N1CCc1ccc(F)cc1 1862673389 FBJZTIAUOKQKOG-QHCPKHFHSA-N 433.454 5.094 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862674074 SCNXFJZZTKHLEI-OSPHWJPCSA-N 429.491 5.728 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(F)cc2)C1=O 1862752826 JQRCWVLBQMQIOZ-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE Cc1cccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3cccc4ccccc34)C2=O)c1C 1862844445 NMDKGOSMSRPOLH-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE CCCC[C@H](NC(=O)[C@H](c1ccc(OC)cc1)C1CCCC1)C(=O)Nc1ccc(C#N)cc1 1867011733 OWHJWPVIGOUVOQ-DQEYMECFSA-N 447.579 5.154 30 10 IKEE CC(C)c1nc(Nc2ccccc2C#N)cc(N2[C@H](Cc3ccccc3)COCC2(C)C)n1 1868238567 SICJZISGSXTLCS-JOCHJYFZSA-N 441.579 5.442 30 10 IKEE C[C@@H]1c2[nH]cnc2CCN1c1cc(Nc2cccc(C#N)c2)nc(-c2ccccc2Cl)n1 1868403385 BKHYWQWMTPWBBQ-OAHLLOKOSA-N 441.926 5.259 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)/C=C(/c1ccc(C)c(C)c1)C1CC1)c1ccccc1 1868672239 YDTUBLQVEXBYBE-XIJDOWMKSA-N 428.576 5.155 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3ccc(OC)cc3[C@@H]2c2ccccc2)nc(CC)n1 1869128209 PBEXRSDELWQMTA-NDEPHWFRSA-N 440.591 5.378 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)OCC)c(=O)cc1CSC(C)C 1870193487 DKCKGSJZEWYZPY-UHFFFAOYSA-N 425.635 5.573 30 10 IKEE C[C@H]1CCCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCC2=CCCCC2)C1 1870350629 OSVUASWNWGHSTM-QFIPXVFZSA-N 445.607 5.421 30 10 IKEE CCCCN(CC)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1Cc1ccccc1F 1870350844 ZBVJVLJISDSCRF-UHFFFAOYSA-N 447.554 5.108 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2)c(CNc2ccc3c(c2)OCO3)cc1=O 1870833924 ZVTDYXSPPZNPRP-UHFFFAOYSA-N 448.563 5.587 30 10 IKEE CCCCCCCCCCN=c1nc2c(cnn2C)c(Nc2cccc(Cl)c2C)[nH]1 1871299082 QXNGOKXKAVOZKM-UHFFFAOYSA-N 429.012 6.043 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])ccc2C1=O 1871373623 QEFRKYYFTFEJSU-ZDLGFXPLSA-N 441.848 5.454 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871389910 UQBUUXSHRWAKTK-JLPGSUDCSA-N 426.468 5.704 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2)Oc2cc(OCCOc3ccc(Cl)cc3)ccc21 1871412954 NFDKSFZBDKMREZ-XKZIYDEJSA-N 427.283 6.067 30 10 IKEE COc1ccc(OCCOc2cc(C)c3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)cc1 1871414470 JDBBFMBVDBWHHK-XYGWBWBKSA-N 445.515 5.144 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)N[C@@H](C)c4ccccc4)ccc3C2=O)cc1 1871424668 RXLQWMLTDJGRQA-AOBKZXEFSA-N 427.500 5.121 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(C(C)C)cc1)C(C)C)S(=O)(=O)c1ccc(C)cc1 1871830176 RFSFJQDPBHUCNN-DEOSSOPVSA-N 442.625 5.349 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)c1ccccc1)S(=O)(=O)C1CC1 1872016083 NGZCZRLCDYVQPG-QHCPKHFHSA-N 440.609 5.034 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccccc1C)C(C)C)S(=O)(=O)c1c(C)cc(C)cc1C 1872402814 NSUCBYVLKQRYRN-QHCPKHFHSA-N 442.625 5.150 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(Cl)c(C)c3)n2)cc1 1872768151 KTQGIAYZXPMGOM-SFHVURJKSA-N 426.925 5.426 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)c2ccc(N(C)C)cc2)n1 1872777801 WNSTZTYOLKQRRF-FQEVSTJZSA-N 433.577 5.672 30 10 IKEE N#C[C@@H](C(=O)Cc1ccccc1F)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872780077 ZEKQTWRUMVIRNA-NRFANRHFSA-N 428.488 6.160 30 10 IKEE CC(C)(C)c1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1 1872789537 MKZQKHSJGWQFNF-YXMGTMDOSA-N 426.994 6.712 30 10 IKEE C=CCN(CC=C)C(=O)c1ccc2nc(CCCOc3cc(C)c(Cl)c(C)c3)[nH]c2c1 1872795566 LOKYRPYYVUXVOI-UHFFFAOYSA-N 437.971 5.659 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H]2CCCC[C@@H]2C)=C(c2cccc(OC)c2)C1=O 1873048776 URVUFBGVPIIBJC-SIKLNZKXSA-N 426.601 5.304 30 10 IKEE CCCCCCCCCCNC1=C(c2cccnc2)C(=O)N(Cc2ccc(OC)cc2)C1=O 1873077243 QFJTUPQORKLSNH-UHFFFAOYSA-N 449.595 5.101 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccc(OC)cc2)=C(c2ccccc2C)C1=O 1873101405 WGWUAPMJZMQVHK-UHFFFAOYSA-N 434.580 5.234 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(C(C)C)c(C)c2)=C(c2cccc(Cl)c2Cl)C1=O 1873341292 CPUBYVGBHQCWKR-UHFFFAOYSA-N 429.347 5.803 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCC(=C)C)n1/N=C/c1sccc1C 1874226896 JGRSZRAGHHHULB-YDZHTSKRSA-N 440.594 5.342 30 10 IKEE CCCCC1CCC(c2nnc(SCC(=O)OC)n2/N=C/c2ccc(Cl)cc2)CC1 1874287535 JYZBQGYDXKHWNS-ZVHZXABRSA-N 449.020 5.543 30 10 IKEE C=CCSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874321569 YIHLMORULQRWFB-LGJNPRDNSA-N 446.498 5.653 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2/N=C/c2ccco2)cc1C 1874357081 OJRLJPFAYPGNIW-ZVHZXABRSA-N 447.520 5.161 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccccc3)n2/N=C/c2ccccc2F)c1 1874383275 IDCMUALCMUPICB-CVKSISIWSA-N 432.524 5.479 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccc(F)cc2)n1/N=C/c1cccc(O)c1 1874394047 FMNINXIALQUOOP-CIRUFVMISA-N 432.524 5.449 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2-c2ccccc2)cc1OC 1874426614 QMQJELBWZBEKNZ-CVKSISIWSA-N 448.523 5.276 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2-c2ccco2)c1 1874464230 YHWFALFSCCOMTH-PCLIKHOPSA-N 432.549 5.810 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(C(=O)OC)cc1 1874479890 XBNHRWRYABLKES-ZVHZXABRSA-N 442.972 5.235 30 10 IKEE CC(C)(C)c1nnc(SCCc2ccccc2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874484339 QVRFDSSRMMANQY-OEAKJJBVSA-N 443.960 5.354 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2c(F)cccc2Cl)nnc1C1CCC1 1874498544 NOKVJYUXXDCKLF-WYMPLXKRSA-N 430.936 5.521 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1/N=C/c1ccccc1Cl 1874505031 NJYSXOPIZUNYDY-ZMOGYAJESA-N 441.988 5.114 30 10 IKEE Fc1ccc(Br)cc1/C=N/n1c(SCc2ccccc2F)nnc1C1CC1 1874519927 RZPSKHXWQFOGDK-AUEPDCJTSA-N 449.324 5.371 30 10 IKEE CCN(CC)C(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc2c(c1)CCCC2 1874572172 ZGQVWODWBQZUIP-ACCUITESSA-N 425.956 5.362 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2ccc(C(=O)OC)o2)cc1 1874573894 KNFNTWQPYLAIAI-JQIJEIRASA-N 448.515 5.893 30 10 IKEE COc1cccc(/C=C/C(=O)c2cccc(Cl)c2)c1OCC(=O)Nc1cc(C)cc(C)c1 1874577221 CXYROUNYCOLERR-ZHACJKMWSA-N 449.934 5.879 30 10 IKEE Cc1ccc(C(=O)/C=C/c2c(OCC(=O)Nc3ccccc3C)ccc3ccccc23)cc1 1874579422 MRDBHBQIYVUDJK-WUKNDPDISA-N 435.523 6.370 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(F)c(F)c2)c1OCC(=O)Nc1ccc(C)cc1 1874585571 ZCFRGVINYFKLQW-UKTHLTGXSA-N 437.442 5.195 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3ccc(C)c(C)c3)c2)c1 1874593974 LCQHXXDDUPKVPM-FMIVXFBMSA-N 445.515 5.234 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1OCC(=O)Nc1ccc(F)cc1 1874594688 XPJASHULWXSMKA-WTDSWWLTSA-N 441.405 5.026 30 10 IKEE C=C(C)COc1c(Br)cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1OC 1874604520 RGTBROLAQWMLLE-SOFGYWHQSA-N 447.325 5.326 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3cc(C)ccc3C)c([N+](=O)[O-])c2)cc1F 1874621284 CPYHIMRTUXTRGZ-RMKNXTFCSA-N 435.451 5.834 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 1874625067 KMIPAVAIFPBTSR-NTUHNPAUSA-N 448.450 5.210 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Br)c1OCCCO 1874633020 IFCDLBXUIOYRSV-VQHVLOKHSA-N 433.342 5.122 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2cc(Cl)ccc2Cl)c1)c1cccc([N+](=O)[O-])c1 1874692449 HJXXRVULOWVMJW-JXMROGBWSA-N 442.254 6.017 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(Cl)cc3Cl)c2)cc1 1874709536 GJYZDLUTIVJFFG-AWNIVKPZSA-N 439.338 7.232 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3c(F)cccc3Cl)c2)c(OC)c1 1874714035 AIUSKHCXGWYZJX-FMIVXFBMSA-N 440.854 5.612 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)c2c(F)cccc2Cl)c1 1874718613 SBIGYAJDFYIMQD-CSKARUKUSA-N 445.273 6.256 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(C)cc2C)CSc2nnc(CCCC)n21 1874899929 PFBDOIHQTNDBSB-JOCHJYFZSA-N 442.673 6.300 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)cc2)cc1 1875099836 BCLCSOSLUMRTSD-LIALUFNXSA-N 430.931 6.508 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OC 1875120356 QCEDNVHOPYSLQZ-FYWRMAATSA-N 446.499 5.147 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc4nc(C)c(C)nc4c3)cc2)c1 1875137784 DSONMHGYYVDBRL-NTEUORMPSA-N 436.511 5.979 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(C)c3)cc2[N+](=O)[O-])cc1C 1875141683 PKUZEZAAKRMIQO-BJMVGYQFSA-N 433.435 5.774 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3OC)cc2[N+](=O)[O-])cc1 1875143359 WDHLAIVTEABFOW-XYOKQWHBSA-N 445.471 5.590 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccncc3)c([N+](=O)[O-])c2)cc1 1875148391 MLLHNLUBWUTVAE-ONNFQVAWSA-N 430.460 5.403 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1 1875150373 KOHGJGXLBDPWAB-GXDHUFHOSA-N 436.463 5.613 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1 1875150647 YATDZFPNGWWYNU-RUDMXATFSA-N 436.847 5.193 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)[C@@H](C)c2ccccc2)cc1 1875161134 AHRXUQIXOFUMRC-NXNYUAIASA-N 442.555 6.598 30 10 IKEE O=C(CC12CC3CC(CC(C3)C1)C2)Oc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1 1875161708 DEESCYIECYCFML-FPYGCLRLSA-N 436.498 6.373 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)c1cccnc1 1875185341 SCZKBCFZSOPCFA-JLHYYAGUSA-N 443.543 6.202 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C 1922079594 HCEIMAHHKAOLAG-HJOGWXRNSA-N 430.633 5.601 30 10 IKEE Cc1cc(Br)c(F)c([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)c1 1927537497 GOCXVUWYGNEANL-KRWDZBQOSA-N 437.284 6.042 30 10 IKEE CC(C)(C)OC(=O)NCC[C@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)C1 1950510460 COTDQIYBERIRTG-HOYKHHGWSA-N 435.609 5.533 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)[C@@H]2C[C@@H]21 2008454598 STFYQZQZBKODPO-YDIMBITNSA-N 433.593 5.238 30 10 IKEE CC[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 2014642165 BTDLAJTWJLEKSU-MBSDFSHPSA-N 449.979 5.763 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 2033848376 SZZBBMMCVGJSJM-NPIYKFRDSA-N 431.580 5.826 30 10 IKEE CCc1ccc([C@H](C2CCC2)n2nc(C(C)(C)C)c(C#N)c2I)cc1 2079117166 ZPFWNHYDGCUJQU-SFHVURJKSA-N 447.364 5.609 30 10 IKEE CC(C)c1nn([C@H](c2ccc(C(F)(F)F)cc2)C(C)C)c(Br)c1C=NO 2079847245 PQWWCUGNYCEJIN-INIZCTEOSA-N 432.284 5.841 30 10 IKEE Fc1ccc(C(F)(F)F)c(-c2c(C(F)(F)F)nn([C@@H]3CCOC3)c2Br)c1 2080825206 IAKLJACNWARKMO-MRVPVSSYSA-N 447.148 5.451 30 10 IKEE CC[C@@H](C)C[C@@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)NC1CC1 2086501015 RWSZZXIQUAUFFZ-UFHPHHKVSA-N 432.656 5.071 30 10 IKEE CC1(C)OB(c2ccc(CNc3ccc(Br)c(Cl)c3F)cc2)OC1(C)C 2151192317 GULUJAPNOLXLTL-UHFFFAOYSA-N 440.549 5.153 30 10 IKEE CN1[C@H]2CC[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c1ccc(Br)cc1)CC2 2154186432 JOVVEVLCDQTUNF-DJPFJPOOSA-N 434.378 5.100 30 10 IKEE C=CCN(CC[C@H](Cc1ccc(Br)c(F)c1)NCCC)C(=O)OC(C)(C)C 2155520595 FIMXUXDTAJDPRS-QGZVFWFLSA-N 443.401 5.312 30 10 IKEE C=CCC[C@H](C)[C@H](NCCC)[C@H](O)c1cc(Br)c(Br)s1 2158322727 DWRQZQWPVWYBSQ-LEWSCRJBSA-N 425.230 5.277 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)C1(C#N)CC2(CCCCCC2)C1 2164749830 SRPHVDQKCYOUAT-UHFFFAOYSA-N 433.390 6.587 30 10 IKEE CC1(C)CCC[C@H]([C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)C1 2168591576 KEEQIWOZRCQGLD-KSFYIVLOSA-N 435.406 6.689 30 10 IKEE CCC(C)(C)N(CCC#N)C(=O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2181046645 DGMKJPBGDMLNBJ-UHFFFAOYSA-N 438.366 5.341 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2cc(F)cc(C#N)c2)ccc1Br 2181054046 SMNHPRGHRPQOHG-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Cl)c(Cl)cc1Cl 2201286833 ACKYXFONOGNKPI-QZTJIDSGSA-N 433.807 5.994 30 10 IKEE C[C@@H]1CC=C(C(=O)c2sc(Br)c(Br)c2Br)CC1 2216491939 FXQWDXARFUNKND-ZCFIWIBFSA-N 442.998 5.965 30 10 IKEE C=CCCC[C@H](NCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2229118992 TWTFJLPSKGTKJS-OALUTQOASA-N 425.411 5.219 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2ccc(C#N)c(Br)c2)C[C@H]2CCCC[C@@H]21 2240972984 QPLGVZKNYAPRSP-LJHODMEESA-N 434.378 5.301 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@]1(C)CN(C(=O)OC(C)(C)C)CC1(F)F 2252929756 VGNGVHJPTBRYBU-OFNKIYASSA-N 438.559 5.020 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1c(Cl)cc(Br)cc1Cl 2256189164 LFZAYBJWLJBASW-HXUWFJFHSA-N 443.212 6.570 30 10 IKEE CCCCCCCCC[C@](C)(CN)N(CCCNC(=O)OC(C)(C)C)Cc1ccccc1 2263640122 WNAGCRCLKOTROG-HHHXNRCGSA-N 447.708 6.262 30 10 IKEE C=CC[C@@H](C)[C@@H](OCCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2276656330 LGKQBTNHQSSENV-RNWIMVQKSA-N 445.603 6.463 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc2c1CCN(c1c(Br)cccc1C#N)C2 2285188449 RFERLYXFNOESOJ-UHFFFAOYSA-N 428.330 5.230 30 10 IKEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 2296561941 DHLXSACORIPVNB-JOCHJYFZSA-N 430.504 5.215 30 10 IKEE CC(C)(C)N=C1[C@H](N2CCSCC2)C(C)(C)C(=S)N1c1cccc(C(F)(F)F)c1 2297382635 VYVNJZHNYZKNOM-INIZCTEOSA-N 443.604 5.493 30 10 IKEE CCN1C(=O)C(=Cc2ccc(OC)c(Br)c2)SC1=Nc1ccc(C)c(C)c1 2297462997 WQVAFROCZAAHDK-UHFFFAOYSA-N 445.382 5.698 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc3c2[C@@H](c2ccc(O)c(Cl)c2)CC(=O)O3)C1=O 2297591708 YKCFBZLHKFKMBQ-MRXNPFEDSA-N 448.858 5.111 30 10 IKEE CC(C)N1C(=O)C(=C2SC(=Nc3ccccc3)N(C3CCCCC3)C2=O)c2ccccc21 2297617374 ZLXNDITXEAJULI-UHFFFAOYSA-N 445.588 5.749 30 10 IKEE Cc1cccc(N=C2SC(=CC(Cl)=Cc3ccccc3)C(=O)N2c2ccccc2)n1 2314539923 DXKFZXIIQKFURO-UHFFFAOYSA-N 431.948 6.321 30 10 IKEE C[C@@H]1[C@@H](C)[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)CCN1C(=O)OC(C)(C)C 2321343500 DSJJMEVVDVQZIT-HOZJOUCCSA-N 447.551 5.495 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OCc4c(Cl)cccc4Cl)c3C)C2=O)c1 2321779800 RGNJKRYBPXSQSZ-UHFFFAOYSA-N 425.311 6.805 30 10 IKEE Cc1ccc(CN2COc3cc(C)c4c(c3C2)OC(=Cc2cccc([N+](=O)[O-])c2)C4=O)cc1 2321958664 ADBYNXUJERBRQH-UHFFFAOYSA-N 442.471 5.180 30 10 IKEE C[C@H](c1ccccc1)c1nnc(S)n1N=Cc1ccc(OCc2ccc(F)cc2)cc1 2321962094 KRVZITZOUWBGPJ-QGZVFWFLSA-N 432.524 5.319 30 10 IKEE O=C(C=Cc1ccccc1OCc1c(Cl)cccc1Cl)c1ccc2ccccc2c1 2322312489 IFFOHESDCLRIAX-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE COc1ccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3ccc(F)cc3)C4)C2=O)cc1 2322348108 CXSLWAFPBSKLJO-UHFFFAOYSA-N 431.463 5.111 30 10 IKEE Cc1ccc(C(=O)C=Cc2c(OCC(=O)NC3CCCCC3)ccc3ccccc23)c(C)c1 2322570065 KOGXJYZIDYMOFS-UHFFFAOYSA-N 441.571 6.180 30 10 IKEE Cc1c(OC(=O)c2ccc(Cl)cc2)ccc2c1OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2322703694 LTGXJNDQHSZYQP-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE Cc1c(OC(=O)c2ccc(F)cc2)ccc2c1OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2322781844 FIZCREIYONHDOB-UHFFFAOYSA-N 430.475 6.267 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2nc(O)c3ccccc3n2)cc1C 2322899748 BWFQSTBZWMXLBX-UHFFFAOYSA-N 444.918 6.081 30 10 IKEE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2cccc(C)c2)C3=O)cc1OC 2323069047 IQSSTOHYXUVMOA-UHFFFAOYSA-N 442.467 5.247 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3ccccc3C)c2)cc1 2323157776 MLXSMIOWIAWMFQ-UHFFFAOYSA-N 429.516 5.697 30 10 IKEE C[C@@H](NC(=O)COc1cccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)c1)c1ccccc1 2323193851 IJHUGCBTBCYYRT-OAQYLSRUSA-N 441.571 6.136 30 10 IKEE Cc1ccccc1NC(=O)COc1cccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)c1 2323193976 PTFJXMVOYVNPLN-UHFFFAOYSA-N 427.544 6.206 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3ccccc3C)c2)cc1Cl 2323310278 LUQGNZFABSLKAW-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)C(Cl)=Cc4ccccc4)cc(C)c3C2=O)cc1 2323439542 YQGVDUDFJIDEKN-UHFFFAOYSA-N 446.886 5.805 30 10 IKEE C=CCOc1c(Br)cc(C=CC(=O)c2ccc(CCCC)cc2)cc1OC 2323553048 QQGHJCMVHSLQDB-UHFFFAOYSA-N 429.354 6.261 30 10 IKEE O=C(O)C=Cc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2323606915 NSTKIPHIYBFFNR-UHFFFAOYSA-N 446.842 5.273 30 10 IKEE CCCCCOc1c(OC)cc(C=NNc2nc(-c3cccs3)cs2)cc1[N+](=O)[O-] 2323840807 YRGCJWXNXARYMO-UHFFFAOYSA-N 446.554 5.803 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OCCc3ccccc3)c(Br)c2)ccc1F 2323972034 CECPZBRDZZINLL-UHFFFAOYSA-N 439.324 6.414 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OCC(=O)Nc1cccc(C)c1 2323985134 ORDMIKTUNDHRCF-UHFFFAOYSA-N 447.506 5.755 30 10 IKEE COc1ccc(OC)c(C=C2Oc3cc(OCCCOc4ccccc4)ccc3C2=O)c1 2324234422 ZUEWMZGCUJRUDA-UHFFFAOYSA-N 432.472 5.168 30 10 IKEE Cc1c(O[C@@H](C)C(=O)Nc2ccccc2)ccc2c1OC(=Cc1cccc(Cl)c1)C2=O 2324405634 BMRPXPASEWSWPC-INIZCTEOSA-N 433.891 5.671 30 10 IKEE COc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O 2324471119 XPFPMHMYIAHSFK-SFHVURJKSA-N 441.483 5.274 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OCc2cccc(F)c2)c([N+](=O)[O-])c1 2324574757 GXLNQHYFJFAFIE-UHFFFAOYSA-N 447.506 6.815 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3cccc(C)c3)c([N+](=O)[O-])c2)cc1Cl 2324611368 HLTAFYRDTIAPOK-UHFFFAOYSA-N 437.879 6.040 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)cc(OC)c1OCC(=O)OC 2324690455 JOXMPXPOIZIEEK-UHFFFAOYSA-N 446.499 5.033 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(F)c(F)c2)ccc2c1OC(=Cc1cccc(F)c1)C2=O 2325522826 AUZKQHSFBBXWPH-UHFFFAOYSA-N 439.389 5.046 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1OC(=O)CC1CCCCC1 2325700834 PUWSWXYRRITXPL-UHFFFAOYSA-N 432.560 6.346 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3ccc(Cl)cc3)c2)cc1C 2325714749 FVHQXMILERGYPM-UHFFFAOYSA-N 436.891 5.538 30 10 IKEE COc1ccc(OCCCC(=O)Oc2cccc(C=CC(=O)c3ccc(C)cc3C)c2)cc1 2325736280 TWMBWJCDGAGIQD-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1)c1ccc(F)c(F)c1 2325753588 SUHHBGGMKYEEDU-UHFFFAOYSA-N 443.789 5.642 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2cccc(C=CC(=O)c3cc(C)c(OC)cc3C)c2)c1 2325770925 BGIVGVQGWIYRJA-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE C=CCSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1ccccc1Cl 2325965136 ACXYTBYAGSXVDI-UHFFFAOYSA-N 447.789 5.445 30 10 IKEE Cc1ccccc1CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccc[nH]1 2326881322 BZIMYEQNEPEDJU-UHFFFAOYSA-N 445.636 5.848 30 10 IKEE CCCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1cccc2ccccc12 2327771920 BDMNIVJTMQFIBL-UHFFFAOYSA-N 436.584 6.560 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCC)nnc2C2CCC(CCCC)CC2)cc1 2328147328 DWKQHXPWOPVMCN-UHFFFAOYSA-N 442.673 6.915 30 10 IKEE COc1cccc(CCc2nnc(SCc3ccccc3F)n2N=Cc2ccccc2)c1 2328641118 DFJUNKXFRJTWFQ-UHFFFAOYSA-N 446.551 5.386 30 10 IKEE Oc1ccc(C=Nn2c(COCc3ccccc3)nnc2SCc2ccccc2F)cc1 2329342980 IFLWNQUDWMHFMS-UHFFFAOYSA-N 448.523 5.014 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccc(F)cc2)n1N=Cc1cccnc1 2329480893 LPODZMKPHYMSSE-UHFFFAOYSA-N 431.540 5.080 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccccc1F 2329538999 JYMRYLVYIGBBNG-UHFFFAOYSA-N 436.943 6.221 30 10 IKEE COc1ccccc1C=Nn1c(Cc2cccs2)nnc1SCc1ccccc1C 2330331032 PKFQUGQUVUCHFB-UHFFFAOYSA-N 434.590 5.422 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)C=Cc1ccc(Cl)cc1)[C@H](C)CC 2330377251 UJFMQIXNNWEZCN-YKSBVNFPSA-N 435.052 6.141 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2ccccc2)nnc1-c1cccs1 2330582077 NWMKYYIRHYCYKO-UHFFFAOYSA-N 432.574 5.746 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3ccccc3F)nnc2[C@H]2CCCO2)c1 2330959221 ZYZXXDILJJFVLJ-OAQYLSRUSA-N 440.544 5.232 30 10 IKEE C[C@H](C(=O)Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1[N+](=O)[O-])c1ccccc1 2331094056 NYILJYNDWVDIKZ-HNNXBMFYSA-N 437.398 5.478 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1)c1ccc(Cl)cc1 2331141793 GCJJZWSPTNHPSC-UHFFFAOYSA-N 446.886 5.602 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2Cl)c(Br)c1)c1ccccc1 2331167890 MFVRHJUUENHFGN-UHFFFAOYSA-N 441.708 6.218 30 10 IKEE COc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2OC)cc1 2331331037 QVIWVJFBZHKOBY-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2cc(OC)ccc2OC)cc1OCC 2331390408 HYDXLILBZNGTFX-UHFFFAOYSA-N 432.900 5.358 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cccs3)c(Cl)c2)cc1 2331414055 BMVJLYKBRSKZKM-UHFFFAOYSA-N 438.976 6.743 30 10 IKEE CCCCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccc(F)cc2)cc1OC 2331534353 UKUJMFSWWATPIZ-UHFFFAOYSA-N 435.289 5.589 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)CC(C)(C)C)c(Cl)c2)cc1C(C)C 2331575162 NWRFNFSXEWEXLS-UHFFFAOYSA-N 442.983 7.018 30 10 IKEE COCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccccc1Cl 2331608843 UCDJSZRTWKHFIL-UHFFFAOYSA-N 441.771 5.559 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2cc(Cl)ccc2OC)cc1OCC 2331882836 JBAZOYKGCWCOJJ-UHFFFAOYSA-N 444.955 6.519 30 10 IKEE CC1(C)OB(c2cc(Cl)cnc2Nc2cc(Cl)c(Cl)cc2Cl)OC1(C)C 2364850427 YIMCVJIFFCELHO-UHFFFAOYSA-N 433.959 5.738 30 10 IKEE CCCN[C@H](C#C[C@H]1CC1(F)F)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2366730353 USHCNFQGCQQZHR-WMLDXEAASA-N 443.332 5.495 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccc(Br)cc2C#N)[C@@H]1C(F)(F)F 2370063730 IUUFSTOMKVORCU-HUUCEWRRSA-N 448.283 5.063 30 10 IKEE O=C1/C(=C/c2ccc(-c3ccccc3)cc2)Oc2cc(OCc3cccc(Cl)c3)ccc21 2439116 UMRIKGIAEUXGNF-YUMHPJSZSA-N 438.910 7.202 30 10 IKEE CCCCCOc1ccc(/C=N/Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 8927044 WDSXXKVNWLGRKN-XHLNEMQHSA-N 436.559 6.826 30 10 IKEE CC(C)Oc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)cc1 21233728 OKWDKTPWKSSTEP-MMTVBGGISA-N 442.534 6.592 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C(=O)/C=C\c3ccc(C(C)C)cc3)cc2)cc1OC 34954124 MHFGVUWYQLBCNG-CHHVJCJISA-N 430.500 5.943 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1 35444258 YZOUVOYIZRDXLU-KYEJRSDJSA-N 441.527 5.755 30 10 IKEE N#Cc1nc(-c2ccc(OCc3ccccc3Cl)cc2)oc1NCc1ccc(F)cc1 39841550 UCCXSYLFBNLDDK-UHFFFAOYSA-N 433.870 6.197 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1ccccc1OC 40093661 UWVZZASKXCXBFV-HSZRJFAPSA-N 437.536 5.169 30 10 IKEE C=C(C)C(=O)N[C@H](C)c1nc2ccccc2n1CCCCOc1ccc(C(C)(C)C)cc1 40191226 FTMHUEGWURRCKG-HXUWFJFHSA-N 433.596 5.946 30 10 IKEE COc1cccc2cc(C(=O)Oc3ccc4c(c3)O/C(=C\c3ccccc3F)C4=O)oc12 41354121 OUUYCAVLHCGTFW-NHDPSOOVSA-N 430.387 5.416 30 10 IKEE CC(C)c1nc2ccc(/N=C/c3cc(Br)cc(Br)c3O)cc2[nH]1 58986163 WJUNTQWAMFSOPK-DNTJNYDQSA-N 437.135 5.668 30 10 IKEE C=CCOc1c(OC)cccc1[C@H]1CC(=O)Nc2c1sc(C(=O)O)c2-c1ccc(C)cc1 64795947 VSXIYFSKVCFGGJ-QGZVFWFLSA-N 449.528 5.469 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N[C@@H](C)CC)cc2)cc1 100264795 NPVNDDLTPCZJDF-IBGZPJMESA-N 446.613 5.365 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(NCCCC)c1[N+](=O)[O-] 101464679 UGJRIRSXCBMGLG-UHFFFAOYSA-N 435.657 7.490 30 10 IKEE CCCCCCCCCn1c([C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)nc2ccccc21 102207097 VLJPQNGLCQYTLQ-QHCPKHFHSA-N 431.624 6.924 30 10 IKEE CC(C)(C)c1ccc([C@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2Cc2cccnc2)cc1 105815971 TUTRMMMLFJNFFY-FEYWKWKCSA-N 426.516 5.001 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 169925377 IIABMHDRIFQJLM-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE Fc1ccc(-c2csc(N/N=C\c3ccc(OCCCc4ccccc4)cc3)n2)cc1 169942435 APRLCYQCQBRKMB-PKAZHMFMSA-N 431.536 6.407 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccc(O)cc1)c1ccc(Cl)cc1 169958564 ZHMBIFMEJSXAIJ-FQEVSTJZSA-N 441.817 5.107 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccc(O)cc2)c1 169960903 AVPXFRFYVUZFRZ-XMMPIXPASA-N 427.500 5.409 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccc(OC(C)C)c2)c1 169979666 FPRLXPAICMUSPY-VWLOTQADSA-N 441.527 5.874 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@@H]2c2ccccc2)cc1 170050368 CZZKRVFJXXIFPC-JOCHJYFZSA-N 435.882 5.824 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2ccc(F)cc2)ccc1F 170063968 SOSYZPUGUDSJHP-NRFANRHFSA-N 441.380 5.334 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccc(C(C)C)cc2)c1 170066046 BIBMOASRPWWPNY-DEOSSOPVSA-N 435.564 5.430 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(C(C)C)cc2)c1 170066553 UYNFAGXDJPHHRY-QPPBQGQZSA-N 433.548 5.184 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C(F)(F)F)cc3)[C@H]2c2ccco2)ccc1F 170095369 PVWVQUOWXQOKJL-IBGZPJMESA-N 445.368 5.529 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccccc1OC 170125620 IMSBCJSUBOISBK-DEOSSOPVSA-N 433.548 5.343 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccc(O)cc2)cc1 170132064 BYFBAHLJVIOXRC-DEOSSOPVSA-N 443.499 5.272 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(O)cc1 170133414 XBQRDAHIQGVNMR-VWLOTQADSA-N 439.511 5.362 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@H]1c1ccc(O)cc1 170137391 FPWFMXUQMCJZHV-HSZRJFAPSA-N 437.536 5.293 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccc(C)c2)c1 170140850 JZNLJMAFXDDQHT-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@@H]1c1ccncc1 170200319 QPAKNOPVVBSMBX-HSZRJFAPSA-N 442.515 5.107 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1cccc(OCC)c1 170218281 AODLHFMSCOTVKY-QHCPKHFHSA-N 437.536 5.171 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(OC)c3)[C@H]2c2ccccc2)cc1 170224210 YGQQNWBYGXFYAR-HSZRJFAPSA-N 447.918 5.694 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccccc2)c1 170225506 JJPPFBRRIKZJAR-AREMUKBSSA-N 433.507 6.240 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@@H]1c1c[nH]c2ccccc12 170255421 WQGKUUDFUGNNMF-QHCPKHFHSA-N 432.520 5.253 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C2CCCC2)cc1 170268596 RIFPVOZDIQKKEV-VWLOTQADSA-N 425.528 5.923 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1c1ccccc1C 170273117 WWAUTVHTZMHYJL-AREMUKBSSA-N 433.507 6.240 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cc(C(C)(C)C)ccc3C)[C@H]2c2ccco2)c1 170282751 KPKDJYGBMCGAIG-XMMPIXPASA-N 443.543 6.285 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C(C)C)c3)[C@@H]2c2ccco2)cc1 170284615 QAZNCFSXAJFRAF-QHCPKHFHSA-N 447.487 5.203 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@@H]1c1ccco1 170289232 PNACYZZNAIGLER-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccc(Cl)cc2)o1 170303123 OJBILGUNNZQDPK-LJQANCHMSA-N 428.271 5.678 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2cccc(OCC(C)C)c2)=C(O)C(=O)N1c1ccccc1 170314813 KMHIBOJKDJOEBU-QFIPXVFZSA-N 447.556 5.874 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(OC(F)(F)F)cc2)[C@H]1c1ccccc1)c1ccccc1 170371087 QCCSWXHKTBAMBN-FQEVSTJZSA-N 439.389 5.368 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(N3CCCCC3)cc2)[C@@H]1c1ccccc1)c1ccccc1 170371405 UCOGOHYFXGWWRG-RUZDIDTESA-N 438.527 5.460 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cn(C)c3ccccc23)c1 170394337 ZSMISYIFFLFNOG-RUZDIDTESA-N 436.511 5.578 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Oc3ccccc3)cc2)[C@@H]1c1ccco1)c1ccncc1 170400852 QESKWUGFVKSNBT-HSZRJFAPSA-N 438.439 5.250 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2nc3ccc(C(C)(C)C)cc3s2)[C@@H]1c1cccnc1 170482022 HVUCDDKPLZXWSJ-OAQYLSRUSA-N 449.576 5.504 30 10 IKEE CN(C)c1ccc(/C=C/C=N/N=C2/CC[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]23C)cc1 253567694 KJCIEPRMJJUJPF-GLUNLNDGSA-N 445.695 7.625 30 10 IKEE C[C@@H]1CC[C@]2(/N=C/c3ccccc3O)Oc3ccccc3[C@H](/N=C/c3ccccc3O)[C@@H]2C1 253571393 OWYKDRRRWCDWCE-JMKBFDBASA-N 440.543 5.902 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)c(Cl)c3)[C@@H]2c2cccc(O)c2)cc1 526491051 QJTJSIIEWIIJKT-NRFANRHFSA-N 437.282 5.628 30 10 IKEE CCCCOc1ccc(/C=N\n2cnnc2SCc2ccccc2F)cc1OCC 526802222 CSMDTDSSDLCFQH-QFEZKATASA-N 428.533 5.169 30 10 IKEE CC(C)c1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccccc2F)cc1 526803777 MUFHSQQDJNWSFI-QRQIAZFYSA-N 444.579 6.306 30 10 IKEE Clc1cccc(CSc2nncn2/N=C\c2ccccc2COc2ccccc2)c1 526812302 NIGAOXLZQKWIPJ-WGARJPEWSA-N 434.952 5.685 30 10 IKEE N#Cc1cccc(CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(F)cc2)c1 586203805 JDRGHNYXTHGYEN-UHFFFAOYSA-N 434.414 5.112 30 10 IKEE C=CCCN(c1cc(OC)cc(OC)c1)S(=O)(=O)c1ccc(CCCCCC)cc1 586235758 FRPROLNVXAHOSU-UHFFFAOYSA-N 431.598 5.598 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]([C@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C1 698829655 GCBZKTDTWHUFJC-MWTRTKDXSA-N 449.979 5.621 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@H](C#N)c1ccc(Cl)c(Br)c1 698867095 OXDMLZNLCLLZLE-MRXNPFEDSA-N 441.778 6.166 30 10 IKEE CN(C)C1(C)CCC(C#N)(N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)CC1 715184109 PUBLTFREYQMTNJ-UHFFFAOYSA-N 436.394 5.347 30 10 IKEE CC(/C=C\c1ccccc1)=NNc1nc(SCCCCOC(=O)c2ccccc2)n[nH]1 1084374541 GCUIHMVLCHDFMD-PTEIZNCPSA-N 435.553 5.035 30 10 IKEE CC/N=C1/S/C(=C\c2ccc(OCc3ccccc3)c(Br)c2)C(=O)N1CC 1084531837 JEJCMCZMRJCVID-XMFNYGHISA-N 445.382 5.340 30 10 IKEE C[C@H](CCc1ccccc1)/N=C(/Nc1cc(-c2ccccc2)ccc1O)N1CCOCC1 1088684141 BJZUMZHOVRMUKE-OAQYLSRUSA-N 429.564 5.181 30 10 IKEE C=CCCCCn1c(C2CCCC2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1507934513 DIRVTDAMNDLJIT-UHFFFAOYSA-N 426.590 5.029 30 10 IKEE CCc1ccc2nc(N3CCN(c4nccc(-c5ccccc5)c4C#N)CC3)sc2c1 1859830596 ZFDFONRBJJWYST-UHFFFAOYSA-N 425.561 5.119 30 10 IKEE N#Cc1cccc(C(=O)Oc2ccc(C3=CCN(C(=O)c4cc5ccccc5[nH]4)CC3)cc2)c1 1860686898 MTYNKNDXSSMTLO-UHFFFAOYSA-N 447.494 5.188 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccccc1Cl)c1ccccc1Cl 1862432453 FGGYRUNALPJXSB-OAQYLSRUSA-N 444.358 6.295 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(O)c(OC)c1 1862434654 DSNXNJAYZVZLNW-NRFANRHFSA-N 443.927 5.213 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1F 1862441828 DEVHNWWEQJVNBP-RFVSGWPVSA-N 427.903 5.636 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862451674 LFFZZGQMOAZRBL-VOJFVSQTSA-N 438.738 6.024 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2C(C)C)cc1 1862469559 QKRXALIONNPWKL-HXUWFJFHSA-N 442.353 5.559 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2ccc(C)cc2)cc1 1862475347 JNDYDLIITNOPFC-VWLOTQADSA-N 425.528 5.699 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C(=O)O)cc1 1862478746 PPNYLHIEHKFOBC-GMAHTHKFSA-N 449.547 5.630 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 1862479915 SQPNSEMDILEYKA-VWLOTQADSA-N 445.603 6.594 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2ccc(F)cc2F)cc1 1862516874 ZGPLNAMEYFGFGT-LHSJRXKWSA-N 429.463 5.130 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1cccc(OC)c1 1862529903 KZOWWWCDVUEECV-WIOPSUGQSA-N 449.591 6.195 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1cccc(C)c1 1862531873 DMOWEPOABQVMLQ-ILBGXUMGSA-N 433.592 6.495 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2C2CCCC2)cc1OC 1862539343 WEDGVXRDGUKMNX-XMMPIXPASA-N 449.547 5.177 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccccc1Cl 1862561321 SOALXFIWINFCNX-QFIPXVFZSA-N 440.971 5.861 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1cccc(OC)c1 1862638301 YFZQWZYQGMRLKS-QFIPXVFZSA-N 441.499 5.002 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(C(C)(C)C)cc1 1862652441 IPLZJBRYOFEARU-XMMPIXPASA-N 425.528 5.902 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccccc2)=C(c2ccccc2[N+](=O)[O-])C1=O 1863235132 KDVBOASJNJWCTO-UHFFFAOYSA-N 449.551 5.928 30 10 IKEE CCC[C@H](NC(=O)[C@@H](c1ccc(Cl)cc1)C1CCCC1)C(=O)Nc1ccc(C#N)cc1 1867005157 KBSQPDPSGJOXRS-XZOQPEGZSA-N 437.971 5.409 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccccc1)NC(=O)C[C@H](c1ccc(C)cc1)C(C)C 1868696338 SMKPCHBRDSOAOL-IZZNHLLZSA-N 432.608 5.053 30 10 IKEE CCCCCCCOc1cn(CCc2ccc(F)cc2)c(CSC(C)(C)C)cc1=O 1870251342 DPDWMMOMKJVDBE-UHFFFAOYSA-N 433.633 6.611 30 10 IKEE CCCCCCCOc1cn(CCc2ccc(OC)cc2)c(CSC(C)(C)C)cc1=O 1870252454 UOAWYHIEIGMEDT-UHFFFAOYSA-N 445.669 6.481 30 10 IKEE C=CCn1cc(OCc2ccccc2F)c(=O)cc1CNc1cccc(C(F)(F)F)c1 1871244186 JRANSQCRNBQUCV-UHFFFAOYSA-N 432.417 5.383 30 10 IKEE CC(=O)Nc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2C)C3=O)c1 1871365414 WJPINOOSRWYDHY-UCQKPKSFSA-N 427.456 5.097 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc(OC(=O)/C=C/c4ccc(F)cc4)c3C)C2=O)cc1 1871365871 IGMLLAGTBZAFBC-WALZVUBYSA-N 444.458 5.768 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc(C(F)(F)F)cc3)cc(C)c2C1=O 1871376001 ODDVNTJOLGDUJJ-MTJSOVHGSA-N 438.401 6.158 30 10 IKEE CCCOc1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871378618 WESLMJQYKLJXEI-SXZFCOTPSA-N 444.483 5.920 30 10 IKEE CC(C)=CC(=O)Oc1cc(C)c2c(c1)O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O 1871385191 ZISSBPHJHWYFTO-UWVJOHFNSA-N 426.852 5.003 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4cccc(OC(C)=O)c4)c3C)C2=O)cc1 1871390362 RXWFMFHEYDTYJG-OYKKKHCWSA-N 442.467 5.318 30 10 IKEE C[C@@H]1C[C@@H](C)CN(Cc2c(O)ccc3c2O/C(=C\c2ccccc2Br)C3=O)C1 1871396328 ABRQEYRUUAWLEP-KEBOPYBWSA-N 442.353 5.249 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccc(F)cc4)ccc3C2=O)cc1 1871401141 UZXSFAIXSNXOJB-MQKZQLNTSA-N 445.490 5.971 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccc(C)c(Cl)c4)ccc3C2=O)o1 1871401440 DDUOIIGDYKNGIP-SRMCNWIXSA-N 437.879 5.572 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccc(OC)cc4)ccc3C2=O)cc1 1871408469 VWGSBEAMSWPCBP-HAWKZNDISA-N 443.499 5.280 30 10 IKEE CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871408695 YWRAULOYZJTBIU-SDPDQUOZSA-N 443.499 5.416 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 1871409131 XXLHVEPYJNYCGC-ICODJCHTSA-N 431.463 5.465 30 10 IKEE CCOC(COc1ccc2c(c1C)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O)OCC 1871415910 AGBQKHGEKKPPQL-UQQQWYQISA-N 444.527 6.056 30 10 IKEE CC[C@H](C)Oc1ccc2c(c1)O/C(=C\c1cc(Br)cc3c1OCOC3)C2=O 1871421309 MQFXSGPDLNXLBE-SEAWGRMISA-N 431.282 5.109 30 10 IKEE CCCCCOC(=O)COc1ccc2c(c1)O/C(=C\c1cn(CC)c3ccccc13)C2=O 1871426934 FIFNLRIHUOBZRB-OYKKKHCWSA-N 433.504 5.390 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(C)c(C)c1 1872138418 VCWYMJYTZRQZTL-RUZDIDTESA-N 448.588 5.250 30 10 IKEE CC(C)c1ccc(O[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 1872760688 VRJWNEMBVCODIM-MGPUTAFESA-N 435.505 5.485 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(Cl)c(Cl)c3)n2)cc1OC 1872761295 KFCAZVNPNMQMKA-AWEZNQCLSA-N 447.343 5.553 30 10 IKEE CCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1 1872777038 DXEKTWMJVXZLBG-HXUWFJFHSA-N 434.561 6.005 30 10 IKEE COc1ccc(CC(=O)[C@H](C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1 1872778129 DTHHQVBMDHUTEH-INIZCTEOSA-N 447.343 5.553 30 10 IKEE COc1cc(OC)c(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)cc3)n2)cc1Cl 1872783169 TXAWVPITPFPWBA-CQSZACIVSA-N 433.316 5.624 30 10 IKEE C=CCN1C(=O)C(Nc2cc(Cl)ccc2Cl)=C(c2c(Cl)cccc2Cl)C1=O 1873289273 FGYDXFIMVBXKEJ-UHFFFAOYSA-N 442.129 5.678 30 10 IKEE C=CCN1C(=O)C(Nc2cccc(OCc3ccccc3)c2)=C(c2ccc(Cl)cc2)C1=O 1873357528 PKBACQKHNGVJAN-UHFFFAOYSA-N 444.918 5.297 30 10 IKEE CCOc1cc(/C=N/Nc2oc([C@H]3C[C@H]3c3ccccc3)nc2C#N)ccc1OC(C)C 1873471278 YLVTUHITVZEMHW-ZREOKRIHSA-N 430.508 5.449 30 10 IKEE CCCCCCCCN=c1nc2c(cnn2-c2ccccc2)c(Nc2ccccc2OC)[nH]1 1873478320 RBZLLYDSYPYFBL-UHFFFAOYSA-N 444.583 5.762 30 10 IKEE CCCCCCCCCCNC(=O)Cc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O 1873936297 DKCFQWQCYFSSPY-UHFFFAOYSA-N 425.569 6.264 30 10 IKEE CCCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1cn(C)c2ccccc12 1874255437 BGJWPSYEXMEIJC-VULFUBBASA-N 447.608 5.658 30 10 IKEE CCOc1cc(/C=N/n2c(Cc3cccc4ccccc34)nnc2SCC)ccc1O 1874269625 GTXDUSHAWZRPFU-PCLIKHOPSA-N 432.549 5.121 30 10 IKEE CCCSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1cccc(Br)c1 1874381355 OOEUWKYEXSNTLY-LPYMAVHISA-N 433.350 5.155 30 10 IKEE CCOc1cc(/C=N/n2c(CC(C)(C)C)nnc2SCCc2ccccc2)ccc1O 1874439736 PQIPZYNQYAOABN-KOEQRZSOSA-N 438.597 5.188 30 10 IKEE CC(C)(C)c1nnc(SCc2ccccc2)n1/N=C/c1cc(Br)ccc1O 1874482096 VMLWENIYGDQYDP-WSDLNYQXSA-N 445.386 5.218 30 10 IKEE COc1ccc(OC)c(/C=N/n2c(SCc3ccccc3Cl)nnc2C(C)(C)C)c1 1874484063 CVMBVHIDNTZBHA-ZMOGYAJESA-N 444.988 5.421 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(COC)nnc2SCCc2ccccc2)cc1 1874501863 DFQVPGPTZHIKES-XIEYBQDHSA-N 438.597 5.211 30 10 IKEE CCc1ccc(C(=O)/C=C/c2c(OCc3ccc(C(=O)OC)o3)ccc3ccccc23)cc1 1874572992 PHCHZBOOUZYJNI-CCEZHUSRSA-N 440.495 6.257 30 10 IKEE O=C(COc1ccc2ccccc2c1/C=C/C(=O)c1ccccc1Cl)Nc1ccccc1 1874574768 FKXNURSZWNTIGR-FOCLMDBBSA-N 441.914 6.407 30 10 IKEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(F)cc1F)Nc1ccc(F)cc1 1874576624 XFCAGEJEXYEHMY-XLUWADSXSA-N 445.824 5.671 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2C)c(C)c1 1874578677 AXWLOPWAURMJHU-FMIVXFBMSA-N 447.962 6.487 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccccc1OCC(=O)Nc1cc(C)cc(C)c1 1874581537 SACJKJBUYSHQLA-ZHACJKMWSA-N 429.516 5.534 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C(C)C)cc2)c1OCc1c(F)cccc1Cl 1874583811 HLVNHCWZZMPUGR-CCEZHUSRSA-N 438.926 7.086 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC)c2OCc2cccc(F)c2)cc1C(C)C 1874584823 CQNKDCIFRYOAGU-OUKQBFOZSA-N 448.534 6.750 30 10 IKEE COc1cc(C(=O)/C=C/c2ccc(OC)c(OC)c2Br)c(OC)cc1Cl 1874598988 PIMWSNGCCCURRK-FNORWQNLSA-N 441.705 5.033 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1)NCc1ccco1 1874601493 NTVCRZMWCQYEJP-LICLKQGHSA-N 437.495 5.538 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2Cl)cc1 1874621005 FJSAMVLQCJUMHG-RUDMXATFSA-N 449.890 5.291 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(F)c(F)c3)cc2Cl)c1 1874625914 CUJRNNZDKXFQHE-WEVVVXLNSA-N 441.861 5.840 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c1 1874630514 GHRLBMPGRCZQJA-OQLLNIDSSA-N 447.487 5.867 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(F)c3)c(Cl)c2)c(OC)c1 1874632655 NZXWRYFUGPRBRH-UXBLZVDNSA-N 426.871 5.971 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OCC(=O)NCc2ccco2)cc1 1874635147 HFQBRDZMXACWID-GXDHUFHOSA-N 431.532 5.477 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCC1 1874662954 CBWCYZNVZCXVCB-XMMPIXPASA-N 425.617 5.252 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1OC(=O)CC(C)(C)C 1874696734 DUOYWLFMFDJPCE-VZUCSPMQSA-N 431.326 5.695 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cccc(OC(=O)c2ccc(C(F)(F)F)cc2)c1 1874698843 QOZSSIIUHLHAJI-NTEUORMPSA-N 426.390 5.829 30 10 IKEE CCCOc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3cc(C)ccc3OC)c2)cc1 1874704263 FHRJUORSTSBFJY-SDNWHVSQSA-N 444.527 5.837 30 10 IKEE COc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C(C)C)cc3)c2)cc1 1874709349 BRWUCNYEXXFUOE-FRKPEAEDSA-N 430.500 5.699 30 10 IKEE COCCC(=O)Oc1cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)ccc1OC 1874712959 YNGZNKUPYWMAAY-RIYZIHGNSA-N 432.472 5.326 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)COc3cc(F)ccc3F)c2)c(C)c1 1874716273 KUXPOCNHNISSKT-JXMROGBWSA-N 436.454 5.771 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1Cl 1875096840 ICLKZJSBGANXKA-NTUHNPAUSA-N 448.921 6.402 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)[C@@H](C)c3ccccc3)c(OC)c2)cc1 1875099957 HIJPKFJWZGHXBF-XAVZPLJISA-N 444.527 5.871 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)c(OC)c2)cc1 1875101877 SXAMVKCJFRQIIS-MDWZMJQESA-N 445.471 5.590 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3c(C)ccc(C)c3C)cc2)cc1C 1875107258 HJMZYXHQXKHJHE-GXDHUFHOSA-N 444.527 5.809 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCC)c(OC)c2)cc1OCCC 1875123159 DEFWGLXDHHUQCW-FMIVXFBMSA-N 440.536 5.874 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)[C@@H]1CCCO1 1875124466 MOZVEHCWZAFPCJ-SGQUHAKNSA-N 435.303 5.373 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3)c(OCC)c2)cc1 1875130814 TXZZAPPUKAOUPJ-LICLKQGHSA-N 444.527 5.918 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(F)cc2)cc1OCC 1875159885 PKUUNAIKXIYBOZ-NTEUORMPSA-N 432.919 6.650 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1ccc(F)cc1F 1875163552 QDYQURZAMFVABX-KRXBUXKQSA-N 430.353 5.367 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)cc2Cl)cc1C 1875168836 WUJHGEOMIPJPCO-DHZHZOJOSA-N 446.974 7.306 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)c3cccc(OC)c3)cc2)c1 1875171741 KSPSXIJPHRDCTN-RVDMUPIBSA-N 446.499 5.608 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3cccc(C)c3C)cc2)c(OC)c1 1875178947 KZZYBOOJFJHJCS-XNTDXEJSSA-N 446.499 5.201 30 10 IKEE CC#CCCC[C@H](NC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1879648080 STODCKGROXMRBD-LITSAYRRSA-N 443.587 5.660 30 10 IKEE CC(C)C[C@@H](CC(F)(F)F)NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1890908175 LJYAXLLDAURKDJ-NSHDSACASA-N 445.347 5.370 30 10 IKEE CCN(CC)c1cc(C)nc(Nc2ccc(NC(=O)c3ccc(C4(C#N)CC4)cc3)cc2)n1 1891847956 WBYNYJCSZGZUPK-UHFFFAOYSA-N 440.551 5.182 30 10 IKEE SCC1(CSc2cc(I)ccc2Br)CCC1 1900792147 RVKRRXHCEYXLNV-UHFFFAOYSA-N 429.186 5.246 30 10 IKEE C=C(C)[C@H]1CC[C@@]2(C=O)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]34C)[C@H]12 1903846623 FELCJAPFJOPHSD-RRBMRGKSSA-N 440.712 7.204 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@]1(C#N)Nc1cccc(Br)c1 1924921534 PYSYJVZUVZGZJT-QVKFZJNVSA-N 434.378 5.228 30 10 IKEE COc1cccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(C)c2)c1Br 1927303276 HOOMVOMCPFGAAW-KRWDZBQOSA-N 431.330 5.773 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 1944713490 MRVATUZFAGNUEW-FQEVSTJZSA-N 429.561 5.276 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)C[C@@H]1CC(C)C 1944819608 JNGVYIFADIGLED-JXQFQVJHSA-N 437.625 5.587 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@](C)(C#N)[C@]1(C)CCN1C(=O)OC(C)(C)C 1999898826 XIWIJEJZKNACDC-BJKOFHAPSA-N 435.609 5.628 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@@](C)(C#N)N(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)cc1 2027949818 WOFZNVHYGWGZEM-YADARESESA-N 445.560 5.188 30 10 IKEE CC[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2OC)CN1Cc1ccccc1 2029749253 BYZYTAOQFSLVRJ-QFQXNSOFSA-N 435.568 5.384 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCN(C(=O)OC(C)(C)C)C1(C)C 2068176811 ZBAOPFUSOICGSP-RUZDIDTESA-N 443.588 5.808 30 10 IKEE CCCCCCCCN(C)c1ncc(I)cc1Br 2075948184 HKBOFCPHBYFLBO-UHFFFAOYSA-N 425.152 5.245 30 10 IKEE Cc1ccc([C@H](n2nc(C(C)(C)C)c(C#N)c2I)C2(C)CC2)cc1 2079033197 QNARAOFDURPRFB-KRWDZBQOSA-N 433.337 5.355 30 10 IKEE Cc1nn([C@H](c2ccc(C(C)C)cc2)C(C)(C)C)c(I)c1C=NO 2079884190 IAQBYQVTDURBQK-QGZVFWFLSA-N 439.341 5.363 30 10 IKEE Fc1c(-c2c(C(F)F)nn(C(F)(F)F)c2Br)cccc1C(F)(F)F 2080912131 GADMBRTWVRRHTO-UHFFFAOYSA-N 427.064 5.884 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@](C)(NC(=O)OC(C)(C)C)C1CCCCC1 2083688560 MIPJNAQKECYYEE-SHQCIBLASA-N 444.660 5.991 30 10 IKEE CCC[C@]1(CNc2cccc(Br)c2C#N)CCCCN1C(=O)OC(C)(C)C 2162411290 UUMJORWVYHCFKU-OAQYLSRUSA-N 436.394 5.693 30 10 IKEE CC[C@@]1(CNc2cc(Br)cc(F)c2C#N)CCCN(C(=O)OC(C)(C)C)C1 2163709818 YPWXMAZJUPVCTQ-FQEVSTJZSA-N 440.357 5.299 30 10 IKEE CCCCCCCCN(C)CC(=O)c1cc(Br)sc1Br 2196691333 UCZPQWVWYFLMDE-UHFFFAOYSA-N 425.230 5.748 30 10 IKEE C[C@@H](Nc1ccc(Br)cc1I)c1ccc(C#N)cc1 2231657136 TWHFUPKABIZKCP-SNVBAGLBSA-N 427.083 5.098 30 10 IKEE C#CCCCC[C@@H](NCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237431582 VONOQHNEFUOOOR-WOJBJXKFSA-N 437.422 5.057 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@H]1CN(C(=O)OC(C)(C)C)CC12CC2)NCCC 2251336324 NXQZFOCKKNFQGQ-GOTSBHOMSA-N 428.617 5.165 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Cl)c(Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)c1 2254798462 BUVJBQFBTATHMI-UHFFFAOYSA-N 445.756 5.125 30 10 IKEE Cc1sc(C(=O)Nc2ccccc2OCc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2267581654 UJDYIIQXRVOQHR-UHFFFAOYSA-N 449.381 5.187 30 10 IKEE CC#CCCC[C@@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2277026204 PFPYEWQVYQCXJT-HHHXNRCGSA-N 443.587 6.055 30 10 IKEE CCOCCN1C(=O)C(=Cc2c(OC)ccc3ccccc23)SC1=Nc1ccccc1 2294704104 VFKLXYWMVBLTJV-UHFFFAOYSA-N 432.545 5.489 30 10 IKEE CCC[C@@]1(C(=O)C#Cc2cccc(Br)c2)CCCCN1C(=O)OC(C)(C)C 2296221470 IVGCXOSMZSZPES-QFIPXVFZSA-N 434.374 5.330 30 10 IKEE CC(C)(C)OC(=O)NC[C@H](C(=O)C#Cc1cccc(Br)c1)C1CCCCC1 2296226186 CVGMZFAPFIAXBF-IBGZPJMESA-N 434.374 5.091 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1c(F)cccc1Cl)C2=O)c1ccccc1Cl 2296867588 YWMSGJZBEPEUPC-UHFFFAOYSA-N 429.230 5.968 30 10 IKEE CCN(CC)CCN1C(=O)C(=O)C(=C(O)c2ccc(C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 2296932790 MPXDNGCESKKRIU-DEOSSOPVSA-N 448.607 5.056 30 10 IKEE O=C1C(=O)N(c2nccs2)[C@@H](c2ccc(Cl)cc2)C1=C(O)c1ccc(Cl)cc1 2297056419 CEADUZPXBWGMOR-INIZCTEOSA-N 431.300 5.076 30 10 IKEE COc1ccc(Cl)cc1C=C1SC(=Nc2ccc(C)cc2)N(c2ccc(C)cc2)C1=O 2297460429 MTZVPOYKYSIUND-UHFFFAOYSA-N 448.975 6.774 30 10 IKEE O=C(CC(=CC(=C1Cc2ccccc2C1=O)c1ccccc1)c1ccccc1)c1ccccc1 2297533047 MUCYMSYQFRLMSG-UHFFFAOYSA-N 440.542 7.236 30 10 IKEE C[C@@H]1CCCN(C(=Nc2sc(-c3ccccc3)nc2-c2ccccc2)c2ccccc2)C1 2297748604 FYZDLNUGRYSMSA-OAQYLSRUSA-N 437.612 7.287 30 10 IKEE Cc1ccc(N=C2NC(=O)SC2=Cc2ccc(-c3ccc([S@](=N)(=O)O)cc3)o2)cc1 2314482902 YZDXLBRPXQUTIY-UHFFFAOYSA-N 439.518 5.661 30 10 IKEE CN1C(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=Nc1cccnc1Cl 2314540612 UPGXQHVCCUDEGT-UHFFFAOYSA-N 440.868 5.137 30 10 IKEE Cc1ccccc1COc1cc(C)c2c(c1)OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O 2321741692 FQGYVXTYUHZIAB-UHFFFAOYSA-N 448.902 6.019 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=CC=Cc1ccccc1)O3)CN(CCCCN1CCCC1)CO2 2322120489 ASQTYUSVLDQAMS-UHFFFAOYSA-N 444.575 5.195 30 10 IKEE Cc1cc(C)cc(OCCN2COc3ccc4c(c3C2)OC(=Cc2ccccc2C)C4=O)c1 2322193241 KTTPMJVPVKWQSG-UHFFFAOYSA-N 441.527 5.459 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2cc(C)cc(C)c2)cc1 2322391378 FVZVCCKGPWDKMZ-UHFFFAOYSA-N 441.571 6.560 30 10 IKEE CCOC(=O)c1ccc(COc2c(C=CC(=O)c3cccc(Cl)c3)cccc2OC)o1 2322528113 QWVDZZOMZUWHPN-UHFFFAOYSA-N 440.879 5.593 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2cccc(F)c2)c2ccccc12 2323019004 AAIXPMGPTGJZJW-UHFFFAOYSA-N 446.905 7.116 30 10 IKEE O=C(COc1ccc(Cl)cc1Cl)Oc1ccc2c(c1)OC(=Cc1ccco1)C2=O 2323087625 NKZAPWZCHMRKQB-UHFFFAOYSA-N 431.227 5.187 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)c4ccc(C)c([N+](=O)[O-])c4)ccc3C2=O)cc1 2323330137 AFJDZMUXQPVZGO-UHFFFAOYSA-N 429.428 5.301 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc3ccccc23)c(Cl)c1)c1cccc([N+](=O)[O-])c1 2323370953 JZMVMFFIJBVROA-UHFFFAOYSA-N 443.886 6.877 30 10 IKEE CCOc1ccc(CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2323371012 QHBWRUPPLOBAFP-UHFFFAOYSA-N 448.902 5.811 30 10 IKEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)CCCC[C@]12CCN(C(=O)OC(C)(C)C)C2 2323466508 LVMIRCPZCQFQMF-CLJLJLNGSA-N 442.600 5.089 30 10 IKEE Cc1nc2ccc(C(=O)Oc3ccc4c(c3)OC(=CC=Cc3ccccc3)C4=O)cc2nc1C 2323554777 CVTJJKRLZNFYSQ-UHFFFAOYSA-N 448.478 5.638 30 10 IKEE Cc1c(OC(=O)c2cc(Cl)ccc2Cl)ccc2c1OC(=Cc1cccs1)C2=O 2323582506 AIHFPJPXXOQOBC-UHFFFAOYSA-N 431.296 6.199 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 2323647554 VHMSNNDHVSEAIW-UHFFFAOYSA-N 433.460 5.477 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3)cc2)cc1C(C)C 2324262070 YZIPTYUDCVEKPX-UHFFFAOYSA-N 443.543 6.041 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3cc(C)ccc3C)c(Cl)c2)c(C)c1C 2324304886 NLDQOZFWLXJOMO-UHFFFAOYSA-N 434.963 7.057 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OCc1ccc(F)cc1 2324306674 IRVQVIMCJQDAJB-UHFFFAOYSA-N 434.507 6.325 30 10 IKEE CCOc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(CC)cc3)cs2)cc1OC 2324378623 QKHDYPJFDCTZJV-FQEVSTJZSA-N 432.545 5.669 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc4c(c3)OCCO4)n2)cc1 2324404227 JZTOWLCSXTVHRI-NRFANRHFSA-N 444.556 5.814 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1Cl 2324441652 CMYSEBVLNDBSTF-UHFFFAOYSA-N 427.972 5.880 30 10 IKEE CCCNC(=O)COc1ccc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc1Cl 2324510460 NJEQFGOFGYEBNW-UHFFFAOYSA-N 436.335 5.112 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)OC(=CC=Cc2ccccc2)C3=O)c(C)c1 2324893406 VEYIPNQOKULGNF-UHFFFAOYSA-N 439.511 5.802 30 10 IKEE CC(=O)Nc1ccc(C(=O)COc2cc(C)c3c(c2)OC(=Cc2sccc2C)C3=O)cc1 2325235337 XHFLREVALPQYDV-UHFFFAOYSA-N 447.512 5.201 30 10 IKEE CCn1cc(C=C2Oc3cc(OCC(=O)NC4CCCCC4)ccc3C2=O)c2ccccc21 2325325384 KFPRCUZJXFYHGN-UHFFFAOYSA-N 444.531 5.105 30 10 IKEE Cc1cc(OCC(=O)NC2CCCCC2)cc2c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O2 2325327413 OWUFNGXWEIMHRP-UHFFFAOYSA-N 447.575 5.736 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccc(OC)c(OC)c1 2325522011 JXEOVQBGLVLIDZ-UHFFFAOYSA-N 438.597 5.429 30 10 IKEE COc1cccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2Cl)C3=O)c1 2325575195 HFCMWSVKJPJSQA-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE Cc1cc(C(=O)C=Cc2cccc(OC(=O)COc3c(C)ccc(C)c3C)c2)ccc1F 2325741948 JMBBZGDSZTUSPF-UHFFFAOYSA-N 432.491 5.940 30 10 IKEE Cc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1[N+](=O)[O-] 2325746526 VKALQKMWWMDNPR-UHFFFAOYSA-N 443.499 6.316 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OC(=O)CSc1ccccc1 2325760067 YXXYELDYBPQFCU-UHFFFAOYSA-N 432.541 5.906 30 10 IKEE CCOc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(OC)cc3OC)c2)cc1 2325761207 FCVYBADYKGCLMS-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cccc(OC(C)C)c1 2326358078 GCHSBXLPTNQGMT-UHFFFAOYSA-N 428.989 5.846 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1cccc(OCCC)c1 2326681478 ZWNCEPZWMTXPRE-UHFFFAOYSA-N 433.581 5.456 30 10 IKEE N#Cc1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccccc2F)cc1 2326688936 UTPLWDSQHBMUHT-UHFFFAOYSA-N 427.508 5.054 30 10 IKEE Cc1ccc(CSc2nnc(CCCOc3ccc(C)cc3)n2N=Cc2ccc[nH]2)cc1 2327153480 RDLURIRCAQETHF-UHFFFAOYSA-N 445.592 5.409 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1ccc(C(C)C)cc1 2327185968 IWIGYRYROXCYSE-UHFFFAOYSA-N 448.636 6.272 30 10 IKEE Cc1ccccc1CSc1nnc(COc2cccc(C)c2C)n1N=Cc1ccncc1 2328821174 XQWGWQLZVYXICF-UHFFFAOYSA-N 443.576 5.352 30 10 IKEE Cc1cccc(OCc2nnc(SCc3ccccc3)n2N=Cc2ccncc2)c1C 2328846833 BVVWWHUGQUHQLG-UHFFFAOYSA-N 429.549 5.043 30 10 IKEE Clc1ccccc1CSc1nnc(CCOc2ccccc2)n1N=Cc1ccco1 2329200202 VSNJQESGQDXVJD-UHFFFAOYSA-N 438.940 5.321 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2N=Cc2sccc2C)cc1 2329382877 OMEGFMVDROSCIQ-UHFFFAOYSA-N 446.645 6.339 30 10 IKEE CCCCOc1ccc(C=Nn2c(SC)nnc2[C@@H](C)c2ccccc2)cc1OCC 2330047859 GLDPSAMHHIFQLB-SFHVURJKSA-N 438.597 5.612 30 10 IKEE CCSc1nnc([C@H](C)c2ccccc2)n1N=Cc1cccc(OCc2ccccc2)c1 2330089986 LPERBVHTWVMJSC-HXUWFJFHSA-N 442.588 6.003 30 10 IKEE Cc1ccc(CSc2nnc(Cc3cccs3)n2N=Cc2cccc(Cl)c2)cc1 2330317394 YAGVWOQLIRZIDC-UHFFFAOYSA-N 439.009 6.067 30 10 IKEE C=C(C)CSc1nnc(Cc2ccccc2)n1N=Cc1ccc(OC(C)C)c(OC)c1 2330491653 IYFNYRJQOFWDEU-UHFFFAOYSA-N 436.581 5.215 30 10 IKEE Cc1ccccc1CSc1nnc(-c2cccs2)n1N=Cc1ccc(C(C)(C)C)cc1 2330538336 LHVREQHYRLXQJY-UHFFFAOYSA-N 446.645 6.787 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)Cc1cccs1 2330821995 WFQBTVNYFCLFER-UHFFFAOYSA-N 447.339 6.108 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc3ccccc23)c(Cl)c1)c1ccc(F)cc1F 2331089749 LFMGSICUEKMHNV-UHFFFAOYSA-N 448.852 6.887 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc([N+](=O)[O-])c1OC(=O)c1cccc(F)c1 2331174429 MADNABBHSJBKLW-UHFFFAOYSA-N 435.407 5.248 30 10 IKEE Oc1ccc(Cl)cc1C=Nn1c(SCc2cccc(Cl)c2)nnc1-c1ccco1 2331225140 GKSDGWJLSKJIEK-UHFFFAOYSA-N 445.331 5.725 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OCCC)cc2)cc1[N+](=O)[O-] 2331305669 GERKOSNRCGJUOV-UHFFFAOYSA-N 439.508 6.156 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CC(C)(C)C)c([N+](=O)[O-])c2)cc1 2331305680 HMDZEWABYHBAFW-UHFFFAOYSA-N 425.481 5.621 30 10 IKEE CCCCc1nnc(SCC(=O)N(CCC)CCC)n1N=Cc1ccc(C(C)C)cc1 2331345750 VHBWLVWNBHWQFP-UHFFFAOYSA-N 443.661 5.367 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)c1cccnc1 2331531416 WZQNKKLQXREZHU-UHFFFAOYSA-N 425.843 5.388 30 10 IKEE Cc1ccsc1C=Nn1c(SCc2c(Cl)cccc2Cl)nnc1C1CCC1 2331535331 KVZLTDJEXUPJJS-UHFFFAOYSA-N 437.421 6.397 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)c1ccc(C)cc1 2331539477 OWXOLDZJWDPTIC-UHFFFAOYSA-N 430.475 5.987 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)Cc1ccccc1 2331632302 VKAKGBPSBCMPKW-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)COc3ccc(Cl)c(C)c3)cc2)c(C)c1 2331764364 JAHUOJLWQTVMKR-UHFFFAOYSA-N 448.946 6.454 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 2331875103 OAWYNGUDSCFEQY-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE C=CCN(CC[C@@H](N)c1c(C)c(C)c(Br)c(C)c1C)C(=O)OC(C)(C)C 2348287522 KUTBVIMVVQZAJT-QGZVFWFLSA-N 425.411 5.496 30 10 IKEE CCCCC[C@H](CC)OCc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1 2377326119 GPHMCLWQBBVCKM-KRWDZBQOSA-N 425.216 5.624 30 10 IKEE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccncc1)C1=C(C[C@H](c3cccs3)CC1=O)N2 18199731 BSZSZVHMRDROBO-UUOWRZLLSA-N 438.556 5.595 30 10 IKEE CC(C)Oc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(C(C)(C)C)cc2)C3)cc1 21223854 HDKZYMSKZLGJJI-NFBKMPQASA-N 431.576 5.776 30 10 IKEE C=CCNC(=O)c1csc(-c2ccc(OCc3ccc(C(F)(F)F)cc3)c(OC)c2)n1 34712192 PPFNTIDYMHPPDJ-UHFFFAOYSA-N 448.466 5.332 30 10 IKEE C=CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(OC)cc2)cc1 39872391 WNVORKJHDKNHLT-DEOSSOPVSA-N 439.467 5.116 30 10 IKEE C=CCOc1ccc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CC=C)cc1OCC 39910822 ABKRMNGEFARPRY-HSZRJFAPSA-N 445.515 5.105 30 10 IKEE C=CCNC(=O)c1cc(-c2csc(-c3cnccn3)n2)n(CCC2=CCCCC2)c1C 43251621 UPLCISNKAOHKSC-UHFFFAOYSA-N 433.581 5.183 30 10 IKEE CCCCCCCCc1c(O)nc(-c2ccc(OCCCCC[C@@H](C)CC)cc2)[nH]c1=O 59207430 DPLNBLXRJFDHHT-NRFANRHFSA-N 442.644 7.031 30 10 IKEE O=C1/C(=N/c2ccc(F)cc2)c2ccccc2N1CN(C1CCCCC1)C1CCCCC1 59377836 ZQKFZXWDKYYPBB-PBBVDAKRSA-N 433.571 6.218 30 10 IKEE CCCCCCCCCCCCCCCCNC[C@@H](C)Oc1ccc(Cl)cc1Cl 100023297 UDWWDLACYDYHJD-JOCHJYFZSA-N 444.531 8.832 30 10 IKEE CCCCCCCCN1C(=O)/C(=C/c2ccc(N(C)C)cc2)C(=O)N(CCCC)C1=O 100167835 UTFLUDCMCRNPOL-ZBJSNUHESA-N 427.589 5.087 30 10 IKEE O=C1/C(=C/c2cccs2)S/C(=N/N=C\c2ccc(Cl)cc2)N1Cc1ccco1 101916784 RPMGJBOJZVEQRM-RKXHSEMDSA-N 427.938 5.501 30 10 IKEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(Cl)cc2Cl)cc1 103090860 ORDFAXRQDNMFJA-LCPUNJGISA-N 442.298 5.517 30 10 IKEE CN1/C(=C/C(=O)CSc2nc(C(F)(F)F)nc3ccccc23)C(C)(C)c2ccccc21 105537862 CSUGHDSBSCHVAU-XDHOZWIPSA-N 443.494 5.621 30 10 IKEE C=CCn1c(C(=O)Nc2ccc3c(c2)[nH]c2c(CC)cccc23)c(C)c2cc(C(C)C)ccc21 169870097 KCPNMXFONVCDBY-UHFFFAOYSA-N 449.598 7.708 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(F)c2)c1 169928951 GXBCCQDERLQCOK-NRFANRHFSA-N 437.854 5.271 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(O)cc2)c1 169958901 OTLNKWJWOBCIMB-XMMPIXPASA-N 439.467 5.538 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2cccc(C)c2)cc1C 169971390 AQYVRVCFXPSZKD-HSZRJFAPSA-N 449.453 5.373 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1cccc(C)c1 169972662 CQQMABROFQRTOS-QHCPKHFHSA-N 449.453 5.060 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2c[nH]c3ccccc23)c1 170075544 SINKORMCFYESNC-VWLOTQADSA-N 436.511 5.876 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccc(OCC(C)C)c3)=C(O)C(=O)N2C2CCCC2)cc1 170116924 SBGCTRZDRNFANM-XMMPIXPASA-N 449.547 5.251 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2cccs2)cc1 170157751 ZBDBXUHHHFQPCN-JOCHJYFZSA-N 449.528 5.327 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(OC)c3)[C@H]2c2ccncc2)cc1 170201032 YLSSZYWPVOPFAX-JOCHJYFZSA-N 448.906 5.089 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1ccc(OCC)cc1 170213733 SHTYDNPUWYCMSY-DEOSSOPVSA-N 449.591 6.070 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccccc2)cc1C 170226943 RSKNCMQHNQJHLF-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 170235225 NWRYOUGSPJOHOU-QHCPKHFHSA-N 447.918 5.912 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1ccc(C(C)C)cc1 170245785 CVGSVPPGSCPGTP-VWLOTQADSA-N 449.591 6.366 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1F)c1cccc2ccccc12 170248196 GIKFGGGQRDNQSM-XMMPIXPASA-N 441.433 5.901 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@@H]1c1ccccc1F 170253089 YRHMJEIFFSLIOK-FQEVSTJZSA-N 431.891 5.256 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1ccc(CC)cc1 170267747 FKHNZXZGKDKXHB-DEOSSOPVSA-N 433.592 6.233 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2C2CCCC2)cc1 170268567 LNAVWHZHNHUHCF-JOCHJYFZSA-N 439.939 5.432 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccc(C)o2)cc1C 170302191 QZRIXCFDEAUQNQ-XMMPIXPASA-N 445.515 5.695 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1c1cccc(F)c1 170313446 IAEGHIMDSWLAFM-HXUWFJFHSA-N 432.476 5.460 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccccc2C)cc1Cl 170397313 XXCMOCCZZJBFBB-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(N(CC)CC)cc2)cc1 170452819 ODPJCLFIULFZGK-XMMPIXPASA-N 444.531 5.471 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 170470887 SEHSKJWOZYTUFC-HSZRJFAPSA-N 445.515 5.364 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccc(C(C)(C)C)cc1 170472112 YZKNUQICOUQMGD-JOCHJYFZSA-N 448.588 6.109 30 10 IKEE CC(C)Oc1cccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(N(C)C)cc2)c1 170474919 SYOWMOXCHFURNH-QFIPXVFZSA-N 436.552 5.055 30 10 IKEE CCCCCCCCCCCCOc1ccc(/C=C\C(=O)Oc2ccc(C=O)cc2)cc1 211985343 WORGVSKHHGIMMC-PGMHBOJBSA-N 436.592 7.418 30 10 IKEE C=C[C@H]1OC(C)(C)O[C@@H]1C(=O)COC(c1ccccc1)(c1ccccc1)c1ccccc1 224612152 YOYUDDUZWMEVTR-CLJLJLNGSA-N 428.528 5.270 30 10 IKEE C=CCn1cc(/C=C2\SC(=Nc3ccc(C(=O)OC)cc3)N(CC)C2=O)c2ccccc21 252602757 FKXSELWWZVAVTQ-JXJWTFEASA-N 445.544 5.238 30 10 IKEE CSc1ccc(/C=C2/SC(=Nc3c(C)cccc3C)N(c3ccccc3)C2=O)cc1 254622637 BOMAVHIAQDSVEG-SBECIKHMSA-N 430.598 6.834 30 10 IKEE C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CCC2=NN=Cc1ccc(OC(F)F)cc1 254866019 VGYMEBWQLDCBIR-KSZLKVKMSA-N 438.518 6.325 30 10 IKEE CCC(C)(C)[C@@H]1CCc2sc3ncnc(NN=C(C)c4cccc([N+](=O)[O-])c4)c3c2C1 254881164 GIMBHBUJZDYZDL-MRXNPFEDSA-N 437.569 5.977 30 10 IKEE C=CCCCCC[C@@H](NCCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 406330263 UDUQYNJHOUKUHC-HXUWFJFHSA-N 439.438 6.973 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccco2)cc1OC 526515308 HUXUFXMRELAYLK-HSZRJFAPSA-N 430.460 5.006 30 10 IKEE CC(C)Oc1cccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)c1 526519673 DGYGACGFONQDDD-DEOSSOPVSA-N 428.463 5.542 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(Cl)cc2)cc1 526604163 SATSNALCAZHIOO-HSZRJFAPSA-N 430.891 5.668 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccc(O)c2)cc1 526604529 NYJWUQDKFJAPPO-DEOSSOPVSA-N 426.472 5.110 30 10 IKEE CCCOc1ccc(/C=N\n2cnnc2SCc2c(F)cccc2Cl)cc1OC 526816745 JCCSHKZSQYOLBI-MYKKPKGFSA-N 434.924 5.043 30 10 IKEE CCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1c(O)ccc2ccccc12 526829048 RXWIFMNIJMOOSZ-OYKKKHCWSA-N 447.520 5.172 30 10 IKEE C=CCC1([C@@H](NCCC)c2cccc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 722942532 UKJJPGIOXVSMOY-SFHVURJKSA-N 441.385 5.442 30 10 IKEE COC[C@]1(OC)CC[C@@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(C=NO)cc3)C[C@]21C 888087319 GJMNAFGEUJBOCE-GVLJIQMASA-N 449.591 5.426 30 10 IKEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)CCSCc1nc(O)c2c3c(sc2n1)CCCC3 1557474573 GSXMPMMENHSPIC-WBVHZDCISA-N 445.654 5.150 30 10 IKEE C#CCN(CC(=O)Nc1nc(-c2ccccc2)c(C(C)C)s1)[C@@H]1CCc2ccccc21 1641588430 UTNQFLUKICAIOX-JOCHJYFZSA-N 429.589 5.495 30 10 IKEE Cc1ccc(-c2nn(-c3ccc(C)c(C)c3)cc2/C=N\NC(=S)Nc2ccccc2)cc1 1857809383 UNTTXCBZCAJLHG-YUMHPJSZSA-N 439.588 5.785 30 10 IKEE CCCOC(=O)c1cccc(CSc2nc(O)c(C#N)c(-c3cccc(Cl)c3)n2)c1 1860466134 HQPRAXFQSRYOMN-UHFFFAOYSA-N 439.924 5.233 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](CCCC)NC(=O)c1ccc2[nH]c(-c3ccc(C)cc3)nc2c1 1862099522 VZMJYHYLRRKWPS-QHCPKHFHSA-N 444.579 5.028 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccccc1Cl 1862381340 XWDWOUNGUJUTSJ-GOSISDBHSA-N 438.738 5.881 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862393004 LDCHFMANZRWYCR-AOMKIAJQSA-N 436.508 5.314 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCC2=CCCCC2)c1 1862442378 IPQINBYNAGYIMO-QHCPKHFHSA-N 435.951 6.117 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2cccc(O)c2)cc1 1862443568 PYYYCEFYBYCPDV-JOCHJYFZSA-N 433.891 5.133 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCCCC2)c1 1862444881 JKKCCVWZLUMGOC-QFIPXVFZSA-N 439.939 5.650 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(OCC)c(OC)c1 1862452766 KJHXNBJNAIGZQG-NRFANRHFSA-N 443.927 5.126 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@H]2c2cccc(C)c2)cc1 1862475159 FODXAGYUTUHTMJ-QHCPKHFHSA-N 431.919 5.735 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc(Cl)c1 1862476249 GOVKQKUZNFFXRH-QHCPKHFHSA-N 439.983 6.587 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccc(Cl)cc2)c1 1862488749 HRIMUECMRKGRJP-QFIPXVFZSA-N 441.955 5.350 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2ccccc2Cl)cc1 1862516469 OTUSCJHMKDUVPR-YCRPNKLZSA-N 427.928 5.506 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(Br)c3)=C(O)C(=O)N2CC(C)C)cc1 1862525083 UKWJWRSRJBDWMK-HXUWFJFHSA-N 442.353 5.246 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1cccc(Cl)c1 1862561333 SZRJUEYUHPNQMI-QFIPXVFZSA-N 440.971 5.861 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1cccc(F)c1 1862571221 HTBQVYDYENLPAY-QFIPXVFZSA-N 441.499 5.002 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccccc2)cc1 1862649171 RQMVWUZJORAPKP-MHZLTWQESA-N 447.534 5.969 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862668660 DTIZOTGIHZOSNL-NRFANRHFSA-N 445.481 6.207 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccc(F)cc2)c1 1862702725 KEDXGBNGJMQGJY-WAIKUNEKSA-N 431.463 5.174 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(C(C)C)cc1 1862714264 IACRWWLQMXGGQJ-CJAUYULYSA-N 427.544 6.340 30 10 IKEE COc1cccc(NC2=C(c3cccc4ccccc34)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1862849613 XATLQOJKGTWSQW-UHFFFAOYSA-N 445.478 5.117 30 10 IKEE Cc1ccccc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(Cl)c(Cl)c2)C1=O 1862911395 MERWPVPXCFQNOQ-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE CCCCc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3cc(C)ccc3C)C2=O)cc1 1863022338 IOQQJYDANAQIFJ-UHFFFAOYSA-N 449.554 5.914 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(F)cc3Cl)C2=O)c1 1863034183 AMFACYYVYOUNGY-UHFFFAOYSA-N 445.881 5.364 30 10 IKEE N#Cc1ccccc1NC1=C(c2ccccc2Cl)C(=O)N(CCC2=CCCCC2)C1=O 1863452733 UCEIOSVPHQYTAV-UHFFFAOYSA-N 431.923 5.294 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@@H](C)c2ccccc2)=C(c2ccc(C)cc2)C1=O 1863620627 ZYJVIVCIRMFPNT-QHCPKHFHSA-N 446.635 6.566 30 10 IKEE C=CCOc1ccccc1/C=C1/C(=O)N(c2ccc(Cl)cc2)N=C1c1ccc(OC)cc1 1865666391 IXCCDKQSWUFHLC-HAVVHWLPSA-N 444.918 5.748 30 10 IKEE CCCCCCCCCCNC(=O)c1c[nH]c2ccc(OCCCCCC)cc2c1=O 1866445193 PQSTVRNMIJBNPQ-UHFFFAOYSA-N 428.617 6.358 30 10 IKEE CC[C@](C)(NC(=O)C[C@@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1ccccc1C#N 1866784371 VPDQTIMLPFGREW-HOFKKMOUSA-N 443.522 5.143 30 10 IKEE CCCCCCOc1ccc(-n2nnc(C#N)c2NC(=O)/C=C\c2ccc(Cl)cc2)cc1 1870140902 PLNGKJXVGGDYOR-NVNXTCNLSA-N 449.942 5.403 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2C)c(CN(CCC)CCCC)cc1=O 1870412930 NZVFWMCPKVFBRP-UHFFFAOYSA-N 440.672 6.566 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O3)CN(C1CCCCCCC1)CO2 1871349646 UYDRERLLCOGYIZ-QQXSKIMKSA-N 445.603 6.999 30 10 IKEE Cc1cc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)ccc1[N+](=O)[O-] 1871373997 ZBQPPJIDMKOIMB-NHDPSOOVSA-N 435.819 5.392 30 10 IKEE Cc1ccccc1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccccc1Cl)C2=O 1871410059 WJQIUTYKHIUXSB-ICODJCHTSA-N 447.918 5.979 30 10 IKEE CC(=O)c1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871422487 MYEDCXQBODAFCD-OYKKKHCWSA-N 441.483 5.140 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4c(F)cccc4F)ccc3C2=O)cc1 1871440628 YTPLBZOTZXVOQR-UUYOSTAYSA-N 435.426 5.161 30 10 IKEE CCOc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(CC)cc2)C3=O)cc1 1871452173 INONBALDVOOHES-MYYYXRDXSA-N 443.499 5.281 30 10 IKEE CCOc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871452346 LUNPQKYJDTZIMR-IWIPYMOSSA-N 443.499 5.336 30 10 IKEE Cc1c(OCC(=O)Nc2cccc(Cl)c2)ccc2c1O/C(=C\C=C\c1ccccc1)C2=O 1871455845 YPOFBGDKCSBXTC-ZISNKBHRSA-N 445.902 5.838 30 10 IKEE CCCCCCCCCCN=c1nc(N2CCCC2)[nH]c(=Nc2cccc3ccccc23)[nH]1 1871727944 KHWTZJFGBBMMAT-UHFFFAOYSA-N 446.643 5.765 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)C(C)C)S(=O)(=O)C1CC1 1872323989 ACAPUCAPUMNKBG-QHCPKHFHSA-N 434.646 5.267 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cccc(C)c1C)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872525296 XVOJBSSHFZQLFH-NTKDMRAZSA-N 442.625 5.232 30 10 IKEE N#C[C@H](C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872760250 KQKKIZFAPOEVSS-QGZVFWFLSA-N 437.908 5.741 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)COc3cc(Cl)ccc3Cl)n2)c(C)c1 1872768955 GDBXHGCESNQHLC-MRXNPFEDSA-N 431.344 5.989 30 10 IKEE CCCCCCCCNC(=O)c1ccc2nc(Cc3ccc(Cl)c(Cl)c3)[nH]c2c1 1872808431 ZRQRKYINYOWWQP-UHFFFAOYSA-N 432.395 6.551 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H]2CCCC[C@H]2C)=C(c2ccc(OC)cc2)C1=O 1873142610 NXEFCZRDWZEAEA-KNQAVFIVSA-N 426.601 5.304 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2Oc2ccccc2)=C(c2c(C)cc(C)cc2C)C1=O 1873331008 ZVXDHCBNNIJEJW-UHFFFAOYSA-N 438.527 5.782 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 1873935410 PHZGWMZPIGTAKP-JOCHJYFZSA-N 436.596 6.089 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccccc1Cl 1874213865 JOLAKPDAXPPOPG-BUVRLJJBSA-N 447.391 5.757 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(COc2ccc(CCC)cc2)nnc1SCC 1874257598 JCOMPFWMFOCYAV-KOEQRZSOSA-N 436.581 5.369 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(Cc2cccc3ccccc23)nnc1SCC 1874270731 LSZAACPRMVTFDH-NLRVBDNBSA-N 428.561 5.581 30 10 IKEE C=CCSc1nnc(CCc2ccc(OC)cc2)n1/N=C/c1ccccc1OCCC 1874307324 QREQKQSHINEZQK-XIEYBQDHSA-N 436.581 5.021 30 10 IKEE C=C(C)CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1ccc(OCC)c(OC)c1 1874395198 GRYWWDFCERBESI-BFTFCADCSA-N 436.581 5.388 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3)n2/N=C/c2ccccc2C)c1 1874402465 BOTVDVXOBZOGOY-MTDXEUNCSA-N 440.616 6.163 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3cccs3)n2/N=C/c2ccccc2[N+](=O)[O-])c1 1874422377 IVNYJHPQQCYJHQ-YDZHTSKRSA-N 449.561 5.706 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2ccccc2)c1 1874451880 SVZKLXDDTXYUBZ-MFKUBSTISA-N 433.581 5.166 30 10 IKEE Cc1ccccc1CSc1nnc(C(F)(F)F)n1/N=C/c1cccc2ccccc12 1874458341 IGCIYOBLOYIGHO-LGJNPRDNSA-N 426.467 5.933 30 10 IKEE COc1cc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2-c2ccco2)ccc1O 1874468315 CHQRNDSFXJCKSE-FSJBWODESA-N 440.912 5.080 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc2c(c1)OCCO2 1874478836 UXRGARZBGIXJRJ-ZVHZXABRSA-N 442.972 5.220 30 10 IKEE CCCSc1nnc(CC(C)C)n1/N=C/c1ccc(OCc2ccccc2)c(OC)c1 1874490826 MDWRGSIBIXTICB-PCLIKHOPSA-N 438.597 5.449 30 10 IKEE CCCc1nnc(SCc2ccccc2C)n1/N=C/c1cc(Br)ccc1O 1874505246 SDKZFXSSKVAHRA-WSDLNYQXSA-N 445.386 5.182 30 10 IKEE FC(F)(F)c1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CC2)cc1 1874519882 PTOKONRAXVCWQW-OPEKNORGSA-N 436.890 6.002 30 10 IKEE C[C@H](c1ccccc1)c1nnc(S)n1/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 1874561472 SOQJXIHTLBFAMX-CIRUFVMISA-N 448.979 5.833 30 10 IKEE O=C(/C=C/c1cc(Br)ccc1OCc1ccccc1Cl)c1ccc(F)cc1 1874583795 GVKAKCORLLBRMW-YRNVUSSQSA-N 445.715 6.717 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)c1OCc1ccccc1C 1874590533 MNEBNCFYSGPRHW-BMRADRMJSA-N 428.572 7.085 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2ccccc2F)cc1Cl 1874591221 YRCVYGLDZSQOHQ-ZRDIBKRKSA-N 426.871 5.971 30 10 IKEE COC(=O)c1ccc(COc2cccc(/C=C/C(=O)c3ccc(OC)c(Cl)c3)c2)o1 1874600046 PTOYZDHYWCENKZ-RMKNXTFCSA-N 426.852 5.203 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OCc1ccc(C)cc1 1874603811 GPWOGUZRTAIGHF-FOWTUZBSSA-N 426.556 6.748 30 10 IKEE CCCOC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(OCC)cc2)cc1OCC 1874613742 LDHVBSJRVQJWRW-KPKJPENVSA-N 446.927 5.366 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OCc1c(Cl)cccc1Cl 1874614230 LOUFFIWIVYMUJC-ZHACJKMWSA-N 447.745 7.131 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(Br)c(OC)c(Br)c1 1874619847 WFSGWCXZNBVNGY-AATRIKPKSA-N 440.131 5.433 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(Cl)c3)cc2)c2ccccc12 1874638053 GJEQWKMSNQHUPG-RVDMUPIBSA-N 428.915 6.977 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(OC(=O)C3CC3)c(OC)cc2Br)cc1 1874694623 MPSNBSUSZPYLFE-ZHACJKMWSA-N 429.310 5.232 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(C)c(C)c3)c2)cc1 1874695642 LZOSNJDQHOQRSS-SAPNQHFASA-N 426.556 6.690 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(Cl)c(Cl)c3)c2)cc1 1874697887 PUSWTBKFTISPRY-WUXMJOGZSA-N 441.310 6.046 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2ccc(C)cc2)cc1OC(=O)C(C)(C)C 1874702926 QOJJYRPHXGYSKK-ZHACJKMWSA-N 431.326 5.614 30 10 IKEE Cc1ccc(C)c(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)OCO4)c2)c1C 1874707506 IXBNFDIMXZNLHN-PKNBQFBNSA-N 444.483 5.221 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc4c(c3)OCO4)c2)cc1C 1874717575 CIZKAZRYYNENCL-VQHVLOKHSA-N 430.456 5.156 30 10 IKEE O=C(Oc1cccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1)c1ccc(F)cc1F 1874718213 DXXRKMVIBXIZJP-RUDMXATFSA-N 433.237 6.387 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3ccncc3)c(OC)c2)cc1 1875105798 NGFRTUABWOKJDT-DHZHZOJOSA-N 449.934 6.202 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)COCCOC)c(Cl)c2)cc1 1875106768 JWWZTPAGPYMDGS-XYOKQWHBSA-N 430.928 5.147 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)COc1ccc(C)c(C)c1 1875127618 OXAYQQYVIULSMK-ACCUITESSA-N 446.499 5.201 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)C(C)(C)C)c(Br)c2)cc1 1875130555 VVDZQZRPPITSMJ-WUXMJOGZSA-N 431.326 5.695 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccncc3)c(Br)c2)c1 1875139415 HSWBLNIQIIQKOI-FNORWQNLSA-N 436.305 5.576 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)c1ccccc1F 1875158838 PJYAUPQPQIROBT-NTEUORMPSA-N 434.438 5.817 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)COc3ccccc3)cc2)cc1C(C)C 1875163733 ZZYOKNGIFIVTEE-NTCAYCPXSA-N 444.527 6.008 30 10 IKEE Cc1ccsc1C(=O)Oc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1Cl 1875168468 DPGNRVPDGDKXIC-SOFGYWHQSA-N 438.976 7.059 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)c3sccc3C)cc2)c1 1875171591 DPTJTJGZQWABQY-XYOKQWHBSA-N 436.529 5.969 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2ccc(OC(=O)C(C)(C)C)c(Cl)c2)cc1Cl 1875174405 PKWJHUFPRQFUAE-SOFGYWHQSA-N 437.319 5.858 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)cc3OC)cc2)cc1 1875178832 FEPPELWQYQTLCU-LZYBPNLTSA-N 446.499 5.147 30 10 IKEE C[C@H]1CC=C(C(=O)[C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CC1 1875650663 JAVWCPWAKASOGQ-KCWXNJEJSA-N 442.555 6.194 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1ccc(F)cc1I 1922109323 BGRANNDCDLLXON-HXUWFJFHSA-N 439.312 5.244 30 10 IKEE C=CCCCCC[C@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 1947487533 JIJKDDYOKTWOTF-DNQXCXABSA-N 432.649 5.991 30 10 IKEE CCCCCCCC[C@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCC 1947488691 PXQMSLZCGRYFBF-DNQXCXABSA-N 434.665 6.215 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@]1(C#N)CCCC[C@@]12CCN(C(=O)OC(C)(C)C)C2 1950307487 NKOJFMNQRUMBGG-ZEQRLZLVSA-N 435.609 5.343 30 10 IKEE C=C1C[C@@H]1C[C@@H](NCCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997454488 DLPXKPOSLCYYKB-JQYIIUTOSA-N 428.617 5.165 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@]2(CC[C@@]2(C#N)N(C(=O)OC(C)(C)C)C2CCCC2)C1 2013353828 FVQDKGLAASMWGU-ZEQRLZLVSA-N 433.593 5.240 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@H](C#N)[C@]1(C)CCCN1C(=O)OC(C)(C)C 2020807960 YGQGYHUBINSKPD-JPYJTQIMSA-N 433.524 5.249 30 10 IKEE C=C([C@H](NCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)[Si](C)(C)C 2071263817 ZYGNZUAGZAHGIB-NDEPHWFRSA-N 445.679 6.929 30 10 IKEE C#CC(C)(C)CC(=O)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071345900 RDYBWDSASJIODI-HHHXNRCGSA-N 428.528 5.497 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1)c1cccc(Br)c1 2072715355 FIQRXKLFCJWJNQ-HXUWFJFHSA-N 440.337 5.360 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CN(C(=O)OC(C)(C)C)[C@@H]2C(C)(C)C)cc1 2076161494 PWFQVUYVNRAMHI-CLOONOSVSA-N 443.588 5.664 30 10 IKEE Cc1ccc([C@H](n2nc(C(C)C)c(/C=N/O)c2I)C2(C)CC2)cc1 2078980400 DFXVWRBGDBUZLW-RYFGYPJOSA-N 437.325 5.117 30 10 IKEE Cc1ccc([C@H](C2CC2)n2nc(C3CCC3)c(/C=N/O)c2I)c(C)c1 2079043112 WIASSCLNZXBKMO-QKXOWGBTSA-N 449.336 5.180 30 10 IKEE Cc1nn([C@@H](c2ccc(C3CCC3)cc2)C2(C)CC2)c(I)c1C=NO 2079895752 YOUXVRBLXGPTRS-SFHVURJKSA-N 449.336 5.261 30 10 IKEE COc1ccc([C@@H](C2CCC2)n2nc(C(C)(C)C)c(C=NO)c2Br)c(F)c1 2080074104 JKNGLOMDOOMXOM-QGZVFWFLSA-N 438.341 5.288 30 10 IKEE CCOc1ccc([C@@H](n2nc(C(C)(C)C)c(C=NO)c2Br)C(C)(C)C)cc1 2080108063 XNCSUHYAHVIQFX-GOSISDBHSA-N 436.394 5.785 30 10 IKEE C=CCCCCCC[C@H](NC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2085838411 CVPVDTMORSQQEU-RPLLCQBOSA-N 444.660 5.945 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@H](C#N)c1c(Cl)cccc1Br 2094995058 PFOWYGFKOOTFGI-MRXNPFEDSA-N 439.712 6.248 30 10 IKEE CC1(C)OB(c2cnc(Oc3ccc(Cl)c(Cl)c3)c(Br)c2)OC1(C)C 2115995515 HAHSTGMTLJTZNJ-UHFFFAOYSA-N 444.949 5.242 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](Cc2cccc(Br)c2Cl)NC)C1 2126687114 MPBKXWXGJMEYRM-INIZCTEOSA-N 443.813 5.094 30 10 IKEE CCN[C@H](CC#C[Si](C)(C)C)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2130936360 WRHQQCUQYZYTAS-QGZVFWFLSA-N 439.470 5.718 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1cccn2ccnc12 2151632719 BFDRIEDZPVFWIT-KRWDZBQOSA-N 427.302 5.103 30 10 IKEE C=CCN(CC[C@@H](Cc1cccc(F)c1Br)NCCC)C(=O)OC(C)(C)C 2155517800 YQSNIFXKGNNIHL-KRWDZBQOSA-N 443.401 5.312 30 10 IKEE C=CCC[C@](C)(CO)N(C(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(C)c1 2211066203 KEQLEJATLVKLLV-GDLZYMKVSA-N 441.571 6.468 30 10 IKEE CCN[C@@H](C#CP(C)(C)=O)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2218400977 UKDNXJZWQWYWRN-INIZCTEOSA-N 429.295 5.030 30 10 IKEE C=CCCC1(C(=O)c2cccc(Cl)c2Br)CN(C(=O)OC(C)(C)C)C1 2259415620 HBOHIFAVKYTXRA-UHFFFAOYSA-N 428.754 5.489 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCC(=O)O)c1cccc(Cl)c1Br 2261826715 DDXQWBVIEZQVAE-IBGZPJMESA-N 425.706 5.018 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CCC[C@H](C1)[C@H]2Nc1cc(Br)ccc1C#N 2285783320 XDFCZEKSDQMRGB-IZODXCKJSA-N 434.378 5.205 30 10 IKEE CN[C@H](C#Cc1ccc(Br)cc1)c1cccc(C)c1NC(=O)OC(C)(C)C 2296302273 HCLZXQSPVHOTTB-LJQANCHMSA-N 429.358 5.417 30 10 IKEE C=CCc1cc(C=C2SC(=S)N(C)C2=O)cc(OC)c1OCc1ccccc1Cl 2297499371 WRKVUOFJFUXZBX-UHFFFAOYSA-N 445.993 5.487 30 10 IKEE C=CCOc1ccc(C=C2SC(=S)N(Cc3ccc(OC)cc3)C2=O)cc1OCC 2297534719 OBYLQELKWCYVSP-UHFFFAOYSA-N 441.574 5.060 30 10 IKEE O=[N+]([O-])c1ccc(-c2ccc(C=Nc3ccc(-c4nc5cc(Cl)ccc5o4)cc3)o2)cc1 2297710355 SRBILLWADHUXQT-UHFFFAOYSA-N 443.846 7.067 30 10 IKEE CCCCCCCCCN=Cc1c(C(F)(F)F)nn(-c2nc3ccccc3s2)c1O 2297747931 DHPCQWBBJFVLAM-UHFFFAOYSA-N 438.519 6.376 30 10 IKEE O=C(C=Cc1ccc(-c2ccccc2Cl)o1)c1ccc(NC(=O)c2cccs2)cc1 2314523293 PRIDJWGLBUBSIV-UHFFFAOYSA-N 433.916 6.810 30 10 IKEE Cc1csc(N=C2SC(=CC=Cc3ccccc3[N+](=O)[O-])C(=O)N2c2ccccc2)n1 2314543695 KIUBIQYZVUGXOV-UHFFFAOYSA-N 448.529 5.725 30 10 IKEE N#Cc1c(Br)cccc1Oc1cc(Br)cc(Br)c1 2316722428 YCRIPVHPUGLXRX-UHFFFAOYSA-N 431.909 5.638 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2cccc3ccccc23)nnc1C1CC1 2320873765 OESXLZRGBAWIRU-UHFFFAOYSA-N 440.572 6.048 30 10 IKEE CCc1nnc(SCc2ccc(C)cc2)n1N=Cc1cc(Br)ccc1F 2320923117 GQHHOIVRBMIUDA-UHFFFAOYSA-N 433.350 5.225 30 10 IKEE Cc1c(OCc2ccc(F)cc2)ccc2c1OC(=Cc1ccc(Br)cc1)C2=O 2321802017 AGDOOSOCWCAWHD-UHFFFAOYSA-N 439.280 6.092 30 10 IKEE O=C1C(=Cc2ccc(Cl)c(Cl)c2)Oc2c1ccc1c2CN(C2CCCCC2)CO1 2322016232 OSGUJSDEAMMSEQ-UHFFFAOYSA-N 430.331 6.094 30 10 IKEE Sc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1cccc2ccccc12 2322256217 TXBLZYTYAQQWFU-UHFFFAOYSA-N 429.332 5.488 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)c1OCC(=O)OCC(C)C 2322305594 HEHRPDVCPMMGBM-UHFFFAOYSA-N 444.527 5.836 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 2322312113 VGBGBKOLDLMPTG-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE COC(=O)c1ccc(C=C2Oc3cc(OC(=O)c4cc5ccccc5o4)ccc3C2=O)cc1 2322839815 JPLOMXSCQBUGAA-UHFFFAOYSA-N 440.407 5.055 30 10 IKEE COc1cccc(C=CC(=O)c2cc(C)cc(C)c2OC)c1OCc1ccc(Cl)cc1 2322856701 CHZSHQDPDGDREH-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE CCCOc1c(OC)ccc(C=CC(=O)c2cc(OC)ccc2OC)c1Br 2323177724 JKLSFMRDLSMZFT-UHFFFAOYSA-N 435.314 5.160 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OC(=O)CC4CCCCC4)cc(C)c3C2=O)cc1 2323486288 MWZTWARLNMYNEC-UHFFFAOYSA-N 447.575 6.333 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1cc(C)ccc1C 2323532471 CSWQWJKANBBRDK-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(Cl)c(OCCC)c(OC)c2)cc1OCCC 2323744202 GSUKKKMWOFRCMM-UHFFFAOYSA-N 446.971 6.611 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OCC(=O)Nc1cccc(C)c1C 2323813938 RZHBTAWHCOIEJZ-UHFFFAOYSA-N 429.516 5.616 30 10 IKEE O=C1C(=Cc2ccccc2OC(F)F)Oc2c1ccc(O)c2CN1CCc2ccccc2C1 2324115629 DWWKGRJRUHMBOI-UHFFFAOYSA-N 449.453 5.168 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OCc1ccc(Cl)cc1 2324151828 OVETYPXDTIBBPT-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE Cc1c(OCCc2ccccc2)ccc2c1OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O 2324283571 OWNDRVZVPCBGRS-UHFFFAOYSA-N 448.902 5.753 30 10 IKEE Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(C)o2)C3=O)c(C)c1 2324331743 SQRBIYGYPUANOJ-SFHVURJKSA-N 431.488 5.535 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O 2324335536 CNIVJSBBNKUSCB-QGZVFWFLSA-N 445.490 5.719 30 10 IKEE Cc1c(OCc2c(Cl)ccc(Cl)c2Cl)ccc2c1OC(=Cc1ccccc1)C2=O 2325171824 ZFIXVNJFLZQSKY-UHFFFAOYSA-N 445.729 7.150 30 10 IKEE COC(=O)c1ccc(COc2cc(C)c3c(c2)OC(=Cc2cn(C)c4ccccc24)C3=O)o1 2325377987 YIMLPPHIDFIFOZ-UHFFFAOYSA-N 443.455 5.062 30 10 IKEE CCc1cccc(C)c1NC(=O)C(=O)C=Cc1ccc(OCc2ccccc2)c(OC)c1 2325652507 ATOWEHKGNPZWCL-UHFFFAOYSA-N 429.516 5.366 30 10 IKEE CCCCCCCCC(=O)Oc1cc(C=CC(=O)c2ccc(OC)c(C)c2)ccc1OC 2325713956 RAQRIYSOPQMHQT-UHFFFAOYSA-N 438.564 6.564 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccccc3Cl)c2)c(OC)c1 2325717546 IKTDYTLGURWRSM-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cc(C)cc(C)c3)c2)cc1 2325734044 PHWVFBAKHVFQEW-UHFFFAOYSA-N 430.500 5.826 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OC(=O)c1ccc(Cl)cc1Cl 2325737814 KJLBXUBSZDGZPT-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE CCn1cc(C=C2Oc3cc(OCC(=O)Nc4ccccc4)ccc3C2=O)c2ccccc21 2325740089 SCQIAUYFSKSTQP-UHFFFAOYSA-N 438.483 5.295 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC(=O)c1ccco1 2325753719 FFBBSYLKFXNUFQ-UHFFFAOYSA-N 434.488 5.844 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3ccccc3)c2)c(OCC)c1 2325762763 ILHUFGHEYINGOT-UHFFFAOYSA-N 446.499 5.365 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc1OC(=O)c1ccco1 2325763021 IIETYUBZTVLSRO-UHFFFAOYSA-N 426.852 5.374 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cccc(OC(=O)CC2CCCCC2)c1 2325763370 MDMPZXOVCCJHTL-UHFFFAOYSA-N 426.940 6.429 30 10 IKEE Cc1ccc(C=CC(=O)Nc2cccc3c(OC(=O)Nc4cccc(C#N)c4)cccc23)cc1 2327383271 HYVQAFDXWXUGKZ-UHFFFAOYSA-N 447.494 6.283 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccc(Cl)cc3)n2N=Cc2ccccc2)cc1 2327511798 QIPWNAGXYRTING-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE O=[N+]([O-])c1ccccc1Cc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccccc1 2328446439 ZTHPGWAJWKLLJA-UHFFFAOYSA-N 447.495 5.091 30 10 IKEE C=C(C)CSc1nnc(COc2c(C)cccc2C)n1N=Cc1c[nH]c2ccccc12 2328556532 IHZXMTLWSFTGSI-UHFFFAOYSA-N 431.565 5.506 30 10 IKEE N=c1[nH][nH]c2cc(NN=Cc3cccc(OCc4ccc(Cl)cc4Cl)c3)ccc12 2328801217 DNCITTVVZWRYLP-UHFFFAOYSA-N 426.307 5.307 30 10 IKEE Cc1ccc(CSc2nnc(CCOc3ccccc3)n2N=Cc2ccccc2F)cc1 2329151464 BSLQVOSPMBFEAS-UHFFFAOYSA-N 446.551 5.522 30 10 IKEE Cc1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2-c2ccccc2Cl)cc1 2329539840 HPYQNAHAEUTWTI-UHFFFAOYSA-N 436.943 6.221 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2ccc(C(C)C)cc2)cc1 2329995096 LQSHFIYRZVJUHW-UHFFFAOYSA-N 440.616 6.475 30 10 IKEE Oc1cccc(C=Nn2c(Cc3ccccc3)nnc2SCc2cccc(Cl)c2)c1 2330511357 KULVKIBJFJZKHR-UHFFFAOYSA-N 434.952 5.402 30 10 IKEE COc1ccc(OC)c(C=Nn2c(SCc3ccccc3)nnc2-c2cccs2)c1 2330582023 HUWDRFUWWMJZIO-UHFFFAOYSA-N 436.562 5.198 30 10 IKEE Oc1cccc(C=Nn2c(SCc3ccccc3Cl)nnc2-c2cccs2)c1 2330584258 PEWDKKUETIGSPZ-UHFFFAOYSA-N 426.954 5.540 30 10 IKEE CCSc1nnc(-c2ccccc2)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2330659064 NNWFQBDCKYHZCZ-UHFFFAOYSA-N 428.517 5.159 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-])c1cccnc1 2330810436 PAQNIKLUNUCYLS-UHFFFAOYSA-N 443.242 5.412 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccccn1 2330824004 HANPXFXPBFOYHI-UHFFFAOYSA-N 428.271 5.512 30 10 IKEE Cc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2cccc3ccccc23)cc1 2330863113 BUILSWIDDGWIKM-UHFFFAOYSA-N 428.605 6.503 30 10 IKEE Oc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C(F)(F)F)cc1 2331149783 PZBLWGMTACTRIQ-UHFFFAOYSA-N 428.439 5.330 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)c(F)c2)c(Br)c1)c1ccccc1 2331169187 GSXQNYGIZWBNMI-UHFFFAOYSA-N 443.243 5.843 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SCC)nnc2-c2ccco2)cc1OCC 2331194193 VDNUSEXKELHEIK-UHFFFAOYSA-N 428.558 5.500 30 10 IKEE CCOc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3)cc2)cc1OC 2331259195 YGRVIGCAJHMGDP-UHFFFAOYSA-N 444.527 5.837 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OC 2331293493 RNYIQOVJEXDMIS-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE Cc1ccccc1NC(=O)CSc1nnc(C(C)(C)C)n1N=Cc1ccccc1Cl 2331382595 KTIXCRSJRHPKCX-UHFFFAOYSA-N 441.988 5.150 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)cc1 2331412501 DNAPJXYIUAKAPY-UHFFFAOYSA-N 428.484 5.828 30 10 IKEE CC(C)Cc1nnc(SCCc2ccccc2)n1N=Cc1c(Cl)cccc1Cl 2331457811 LBGPOOFKNDHJOI-UHFFFAOYSA-N 433.408 6.000 30 10 IKEE CCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1OC 2331629941 IBXONFPVPBNCPZ-UHFFFAOYSA-N 447.325 5.295 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)c3ccccc3)c(Cl)c2)c1C 2331646840 SQLWVTDEORUXRK-NRFANRHFSA-N 446.974 7.179 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1ccc(F)c(F)c1 2331709617 QLOLDEIMLFKENN-UHFFFAOYSA-N 436.454 6.096 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3C)c(Cl)c2)c(OC)c1 2331721686 AHFBWANWHHDEEU-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE CCCOc1ccc(C=NNc2oc(-c3ccc(C)cc3)nc2C(=O)OC)cc1OCC 2331937678 PQAZZDBISZWDPQ-UHFFFAOYSA-N 437.496 5.070 30 10 IKEE O=C(C#Cc1cnn(C2CC2)c1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2366044262 SOQLPUSWABSSMJ-UHFFFAOYSA-N 448.522 5.610 30 10 IKEE C=C([C@@H](NCCC)[C@@H](O)c1sc(Cl)cc1I)C(C)(C)C 2366646996 BHIKOBOTZICQFE-CHWSQXEVSA-N 427.779 5.010 30 10 IKEE CC(C)(C)OC(=O)Nc1nc2cc(Nc3cccc(Br)c3C#N)ccc2s1 2382209574 XUIDFBAUPWPKLH-UHFFFAOYSA-N 445.342 6.021 30 10 IKEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 9993304 KBUZBABDLMXTCF-HXUWFJFHSA-N 446.915 5.733 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)C(c2ccccc2)c2ccccc2)nc2ccccc12 12239833 RIOODPIMFNSWEB-UHFFFAOYSA-N 443.510 5.371 30 10 IKEE Cc1cccc(/N=C2\S[C@@H](CC(=O)c3ccc(Cl)cc3)C(=O)N2c2cccc(C)c2)c1 15055182 SWKVMWDRHCQJDM-NHKLCZRASA-N 448.975 6.366 30 10 IKEE C=CCN1C(=O)[C@H](CC(=O)c2ccc3c(c2)CCCC3)S/C1=N\c1ccc(Cl)cc1 15055366 JGFIFAIDXQQORY-NCEYNEKKSA-N 438.980 5.609 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nnc1C(C)(C)C 20839062 SHMNDDWPUAUNRT-UHFFFAOYSA-N 432.899 5.165 30 10 IKEE CN(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2Cl)cc1 21232018 GTUNUNQAFQMPIE-CLYVBNDRSA-N 443.978 6.386 30 10 IKEE CCOC(=O)c1c(NC(=O)CC2CCCC2)sc2c1CC[C@](C#N)(c1ccccc1)C2 23316040 JUEYLDNZUUGORI-VWLOTQADSA-N 436.577 5.394 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(C(C)(C)C)cc1 33760264 APCZBOABAPBJEY-QHCPKHFHSA-N 447.531 5.345 30 10 IKEE COc1ccc(CCNc2oc(COc3ccc(-c4ccccc4)cc3)nc2C#N)cc1 39841593 IEBKPAOKUPGDMI-UHFFFAOYSA-N 425.488 5.455 30 10 IKEE O=C1/C(=C/c2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccccc2)Oc2ccc(Cl)cc21 39842486 WGBNOEPXYCCZBZ-UUYOSTAYSA-N 443.846 5.717 30 10 IKEE C=CCOc1ccc([C@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2CCCC)cc1 39913213 XDNOWGZEHGQZAB-QFIPXVFZSA-N 437.923 5.665 30 10 IKEE C=CCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@H]1c1cccc(Br)c1 39913376 LAJMFZNCYRIFJW-GOSISDBHSA-N 444.712 5.249 30 10 IKEE Cc1cc(O[C@H](C)C(=O)Nc2sc(=S)c3c(c2C#N)CC[C@@H](C)C3)cc(C)c1Cl 41017723 JVDKELVWOVCLHU-BXUZGUMPSA-N 447.025 6.150 30 10 IKEE O=C(O)c1ccc(COc2ccccc2/C=N/N(Cc2ccccc2)c2ccccc2)cc1 59167142 XTEWSOCMDXHQAK-VUTHCHCSSA-N 436.511 6.005 30 10 IKEE COc1ccc(N(C(C)=O)c2nc(/C=C\C(=O)c3ccccc3C(F)(F)F)cs2)cc1 96924465 XQUHFQTYXMWJDS-GHXNOFRVSA-N 446.450 5.751 30 10 IKEE CCCCCCCOc1ccc(NCC(=O)Nc2ccc(C(=O)N[C@H](C)CC)cc2)cc1 100077712 QWDUFTYZUYNMLF-HXUWFJFHSA-N 439.600 5.615 30 10 IKEE C=C(C)COc1ccc(NC(=S)NC(=O)c2sc3cc(OC)ccc3c2Cl)cc1 100464872 HHTYOMKHUUGZBE-UHFFFAOYSA-N 446.981 5.645 30 10 IKEE C=C(C)[C@H]1CC[C@@]2(CO)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12 118922254 FVWJYYTZTCVBKE-CMSSPLKUSA-N 442.728 6.997 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2c2ccc(C)cc2)c1 169934443 APWGFPURIXXARZ-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3ccc(F)cc3)cs2)cc([N+](=O)[O-])c1OCC 169942578 SJSKWDOUUBVZKS-JJFYIABZSA-N 430.461 5.101 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccc(N(C)C)cc2)c1 169966842 BVEVCDMLTQBZJX-HSZRJFAPSA-N 446.934 5.497 30 10 IKEE CC(C)Oc1ccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccccc2)cc1 169977678 XWSYQWZPBREAEZ-AREMUKBSSA-N 441.527 5.576 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccccn2)cc1 169991657 DGRQRNZVOKWWMU-DEOSSOPVSA-N 437.499 5.469 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@H]2c2cccnc2)c1 170008733 JXXBZNAAGGAWKY-QFIPXVFZSA-N 448.906 5.225 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccccc1 170052172 KFYRMKLAYIGNQR-HSZRJFAPSA-N 442.902 5.913 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(Cl)cc2)=C(N(C)Cc2ccccc2)C1=O 170069819 JCERYHVJGUXBOI-UHFFFAOYSA-N 438.999 5.912 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2c[nH]c3ccccc23)c1 170074400 HFBMZJZSDBRWPS-RUZDIDTESA-N 448.478 6.005 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1sccc1C 170106440 GIXFANPRXWNJQK-LJQANCHMSA-N 439.920 5.501 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(C4CCCCC4)[C@@H]3c3cccs3)oc12 170164013 JYFQSEZGBGYQHI-HXUWFJFHSA-N 437.517 5.414 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1cccnc1 170188440 CFFYZOFUROHGKP-OAQYLSRUSA-N 448.906 5.143 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2)cc1 170223489 LKHVJUJTGKXDQC-QHCPKHFHSA-N 431.463 5.396 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(C4CCCCC4)[C@@H]3c3cccc(O)c3)oc12 170261982 CSXUVEJTUBGVLX-JOCHJYFZSA-N 447.487 5.058 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Cl)cc2)cc1 170361447 WYKWPHNAXIZQLB-JOCHJYFZSA-N 433.891 5.522 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)[C@H]1c1cccc(O)c1)c1ccccc1 170387883 QBHOAFUWUWJTAD-FQEVSTJZSA-N 439.389 5.194 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)cc1 170391362 RYLMCJJMFCGDMJ-FQEVSTJZSA-N 441.911 5.886 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 170471590 KMXOWLZZKQBPBY-DEOSSOPVSA-N 443.543 5.972 30 10 IKEE COc1ccc(/C=C2\SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1O 252596786 CMKSGDKULPPFME-ARKVWGHASA-N 430.529 5.826 30 10 IKEE O=C(Nc1sc2c(c1C=NNc1ccc3ccccc3c1)CCCC2)c1ccccc1 252617947 LCAYHXHPNCUWRB-UHFFFAOYSA-N 425.557 6.478 30 10 IKEE Clc1ccc(C=Nc2ccc(Cc3ccc(N=Cc4ccc(Cl)cc4)cc3)cc2)cc1 254592958 IZKKTDYBAJIIHM-UHFFFAOYSA-N 443.377 8.085 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2c(C)[nH]c3ccccc23)c1 526490390 VZHTZBYKFXGGAE-SANMLTNESA-N 449.510 5.804 30 10 IKEE Cc1ccc(SC2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cccc(C)c3C)C2=O)cc1 526660971 VMIVHYDATNGALP-UHFFFAOYSA-N 439.540 5.473 30 10 IKEE N#Cc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2cccc(F)c2)cc1 526822209 HAXJEDDBGXMBRZ-QRQIAZFYSA-N 441.535 5.249 30 10 IKEE CCOc1cc(/C=N\n2c(C)nnc2SCc2cccc(F)c2)ccc1OC(C)C 526825325 SLNHPQRQAUFRFK-CFRMEGHHSA-N 428.533 5.086 30 10 IKEE C=CCN(CC=C)C(=O)c1cccc(NC(=O)Nc2ccc(OCCCCCC)cc2)c1 586716302 NBOVSHGXENLIEU-UHFFFAOYSA-N 435.568 6.104 30 10 IKEE CCCCCCCCNC(=O)CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12 606673371 GNNSCPJAWSCTIP-VWLOTQADSA-N 447.579 5.058 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(/C=C/C(=O)c2c(F)cc(Br)cc2F)cc1 689275477 SRYVFRZVXCFBDU-RMKNXTFCSA-N 438.268 5.970 30 10 IKEE CC(C)C1CCC([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)CC1 698498208 QYTABWSXGSWNAU-LBXVMSDZSA-N 435.406 6.545 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@@H](C#N)c1sccc1Br 698902986 QIHANBZSFKMKLX-AWEZNQCLSA-N 427.751 6.170 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H]1CCC[C@@]1(C#N)N(CC1CC1)C(=O)OC(C)(C)C 710769807 QZBUNGOBTAIWPH-FHAGJXEFSA-N 447.620 5.486 30 10 IKEE CC[C@](C#N)(C1CN(C(=O)OC(C)(C)C)C1)N(C(=O)OC(C)(C)C)C1CCCCCC1 716143465 KYDZIRJIGIWVDI-DEOSSOPVSA-N 435.609 5.486 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CC[C@@H](CNC(=O)OC(C)(C)C)C1 724066221 AMNVSFLVMBEGKV-OSPHWJPCSA-N 445.560 5.024 30 10 IKEE C=C1CCC(C[C@@H](NCC)c2cc(NC(=O)OC(C)(C)C)ccc2Br)CC1 724608171 UAFSIMHMCQNOCZ-HXUWFJFHSA-N 437.422 6.583 30 10 IKEE O=C1C(=NN(Cc2ccccc2)c2ccccc2)c2ccccc2N1C/C=C/c1ccccc1 1084252551 SDWSFYNDOKFALP-IGEIUEPCSA-N 443.550 6.158 30 10 IKEE C=CCn1c(O)nnc1S[C@@H](C)c1nc2cc(Cl)ccc2n1Cc1ccccc1 1165842342 VGAMJMWHRZPQGP-AWEZNQCLSA-N 425.945 5.074 30 10 IKEE COc1cccc(NC(=S)N/N=C\c2cn(-c3ccc(F)cc3)nc2-c2ccccc2)c1 1857809078 OSSJOWBCTKNPCB-YSMPRRRNSA-N 445.523 5.008 30 10 IKEE CCCCCCCOc1cccnc1NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 1858853948 MQYOJRAYJYMCDQ-UHFFFAOYSA-N 429.870 6.747 30 10 IKEE CCCCCCCCCCNC(=O)CCc1ncc(-c2ccc(Br)cc2)o1 1859671380 OODHXDASICPUFI-UHFFFAOYSA-N 435.406 6.294 30 10 IKEE CC[C@H](C)N(C(=O)c1cc(F)ccc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1859899667 SASMETBRMAWYIR-JTQLQIEISA-N 425.319 6.448 30 10 IKEE C=CCN(CC=C)C(=O)Cc1c(C)c2cc3c(-c4ccccc4)c(C)oc3c(C)c2oc1=O 1860276608 QAEONOBGZSXBRK-UHFFFAOYSA-N 441.527 5.875 30 10 IKEE CC(C)CCNC(=S)N/N=C/c1cn(CCOc2ccc(Cl)cc2)c2ccccc12 1860498733 OVSXVRKTZJKAQQ-CVKSISIWSA-N 443.016 5.218 30 10 IKEE COc1cc(Cl)c(C)cc1NC(=O)C(=O)/C=C/c1cccc(OCc2ccccc2)c1 1860729315 DPQMJPJQLZOIFJ-VAWYXSNFSA-N 435.907 5.457 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)/C=C/c1ccc(OC)cc1 1861075306 PGALTZVAKIMOAJ-BKWQBPKISA-N 430.633 5.640 30 10 IKEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)COc1cc(C)c(Cl)c(C)c1 1861634722 ORRJYAJWNTZSKY-UHFFFAOYSA-N 439.040 5.487 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1cccc2ccccc12 1862383424 OOZJEBMXYGICQQ-OAQYLSRUSA-N 440.326 6.133 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 1862393871 FNGYZIKMGBDXOT-OAQYLSRUSA-N 444.358 6.100 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2cccc3ccccc23)cc1 1862396177 FJLFKWFAPVYAMM-SIBVEZHUSA-N 441.571 6.559 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2cccc(C)c2)cc1C 1862400901 PDHPKTVKIJIMBR-VWLOTQADSA-N 441.527 5.399 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2cccc(F)c2)cc1C 1862401802 KDERHZHTTVCXCC-UYGSHGSRSA-N 437.511 5.300 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2cccc(F)c2)cc1C 1862402003 OOQRCZZGCKJLBN-XMMPIXPASA-N 445.490 5.230 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2C(C)C)cc1 1862408411 LKBIDBXATPWJJD-QHCPKHFHSA-N 437.536 5.169 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc2cc[nH]c2c1)c1ccccc1Cl 1862432823 NRSHJTYXGUMIIH-OAQYLSRUSA-N 432.863 5.193 30 10 IKEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc(C)c2)cc1 1862475509 NNSDWFUFLCHPOJ-VWLOTQADSA-N 441.527 5.133 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc(F)cc2)ccc1F 1862502085 QUSGJZZSPMEAKY-OTPBECDQSA-N 425.475 5.430 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2cccc(C)c2)cc1 1862533349 LTTSNJFBVWEMEY-CLOONOSVSA-N 425.528 5.897 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1cccc(Cl)c1 1862616642 CTPXQMLHFBXMRQ-VFNWGFHPSA-N 425.956 6.014 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccc1C(=O)O 1862714098 DSXGSYMYJJQIKL-HSZRJFAPSA-N 443.499 5.162 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(C(C)(C)C)cc3)C2=O)cc1 1862892018 RICODKZXTYDJTA-UHFFFAOYSA-N 435.527 5.561 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(C)cc2)=C(c2ccc(C)cc2)C1=O 1863268864 QXIPNRYVTQDMFS-UHFFFAOYSA-N 432.608 6.636 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(OC)cc2)C1=O 1863330205 VBTCMESNKUYHFJ-UHFFFAOYSA-N 431.536 5.119 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cc(C)ccc2C)=C(c2cccs2)C1=O 1863471258 KCVMEDYLXNXIOY-UHFFFAOYSA-N 438.637 6.698 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2cccs2)=C(c2ccc(Cl)cc2)C1=O 1863534045 DZYUFLKFAULTEX-UHFFFAOYSA-N 431.001 5.632 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(OC(C)C)cc2)C(=O)N(CCCC)C1=O 1863694283 IMIZUVNLSNGXQS-UHFFFAOYSA-N 442.644 6.084 30 10 IKEE CCCCCCCCNC1=C(c2c[nH]c3ccccc23)C(=O)N(Cc2ccc(F)cc2)C1=O 1863814950 SSVLUMLFVANIDR-UHFFFAOYSA-N 447.554 5.537 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(C(F)(F)F)cc1 1866029779 HBFPYQZVYYJQGD-UHFFFAOYSA-N 427.595 8.905 30 10 IKEE CCCC[C@@H](NC(=O)C[C@@H](CC(C)C)c1ccc(F)cc1)C(=O)Nc1cccc(C#N)c1 1867100237 RNWGFRFSOXGWSS-ZJSXRUAMSA-N 437.559 5.531 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3cc4ccc(C)cc4nc32)nc(Cc2ccccc2)n1 1869062732 BAOPAASIFZBAFE-UHFFFAOYSA-N 447.586 5.797 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)Nc2ccccc2CC)c(=O)cc1C 1870087302 PPYSHDMZQUTEOB-UHFFFAOYSA-N 426.601 5.877 30 10 IKEE CCCCCCCCn1cc(OCC(=O)N(c2ccccc2)c2ccccc2)c(=O)cc1C 1870089264 KXJHMSWHOPEVBI-UHFFFAOYSA-N 446.591 6.261 30 10 IKEE CCCCCCOc1ccc(C(=O)Nc2c(C#N)nnn2-c2cccc(C(C)(C)C)c2)cc1 1870144167 QOWDVVOPAUHDIK-UHFFFAOYSA-N 445.567 5.648 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2Cl)c(=O)cc1CN(C)CCCC 1870340699 UFSQYMKRWKIGAL-UHFFFAOYSA-N 447.063 6.673 30 10 IKEE CCCCCCCOc1cn(CCC)c(CNc2ccc(OCC)c(OCC)c2)cc1=O 1870831991 LVVIGEIGSCVUJL-UHFFFAOYSA-N 444.616 6.017 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2)c(CNc2cccc(OC)c2)cc1=O 1870833663 PRCKXYPNFYEXCE-UHFFFAOYSA-N 434.580 5.867 30 10 IKEE CCCCCCCCCCn1cc(OCC(C)C)c(=O)cc1CNc1cccc(C)c1 1870858635 RLZWQWBLVOOULC-UHFFFAOYSA-N 426.645 6.944 30 10 IKEE Cc1cc(O)c(CN2C[C@H](C)C[C@@H](C)C2)c2c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O2 1871396632 PHBJWYFOSQQUBW-WNGFQLFOSA-N 433.592 6.092 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(O[C@H](C)C(=O)Nc4ccc(C)cc4)c3C)C2=O)cc1 1871405066 BMYRBRGRZFZCLD-UFAQQFSPSA-N 441.527 5.888 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C)c(Cl)c4)cc(C)c3C2=O)cc1 1871456549 KWUUHKLJSMDDJA-KSEXSDGBSA-N 447.918 5.899 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cc(Cl)ccc4Cl)ccc3C2=O)o1 1871457715 VMIAQAHLOJVYKJ-JMIUGGIZSA-N 444.270 5.529 30 10 IKEE C=CCN([C@@H](C(=O)Nc1cccc(Cl)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872246559 JDUAYJSYGYGCJJ-KSFYIVLOSA-N 449.016 5.187 30 10 IKEE C=CCN([C@H](C(=O)Nc1cccc(Cl)c1)[C@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872246561 JDUAYJSYGYGCJJ-ZHRRBRCNSA-N 449.016 5.187 30 10 IKEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccc(F)cc1 1872443689 KLSXBULQIFFOMZ-QHCPKHFHSA-N 446.588 5.179 30 10 IKEE CCCCCCCCCOc1ccc(-c2nc3ccc(C(=O)NC)cc3[nH]2)cc1Cl 1872730282 JUNGWDJSJGILRO-UHFFFAOYSA-N 427.976 6.372 30 10 IKEE CC(C)Oc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 1872769259 NOQAQCRNBMXHSI-QGZVFWFLSA-N 445.371 6.323 30 10 IKEE CCOc1ccc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3C)cs2)cc1OC 1872769822 YOQBVUHUCRKSLC-FQEVSTJZSA-N 434.561 5.643 30 10 IKEE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)[C@H](C#N)c1nc(-c2ccc(F)cc2)cs1 1872776757 WUTXCDXXNDBGEP-ABAIWWIYSA-N 435.307 5.900 30 10 IKEE COc1ccccc1CC(=O)[C@@H](C#N)c1nc(-c2cc(C(C)C)c(OC)cc2C)cs1 1872779680 OZNZWEFUFOYUNG-HXUWFJFHSA-N 434.561 5.678 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@H](C#N)C(=O)Cc2ccc(F)cc2F)n1 1872784891 ZPENNKUQKXPOIV-OAHLLOKOSA-N 432.879 5.478 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccccc3)n2)cc1Cl 1872785734 VALAEFUQCGXAPJ-KRWDZBQOSA-N 426.925 5.508 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc2nccnc2c1 1873500656 GZSWYKGAAGUQMC-RPPGKUMJSA-N 440.935 5.141 30 10 IKEE CCCSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1ccccc1OC 1874226449 KZYWUVRBWMMABZ-KOEQRZSOSA-N 438.597 5.299 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1ccc(OCC)cc1 1874253467 COLCOEMIBSIBDL-XIEYBQDHSA-N 436.581 5.157 30 10 IKEE O=[N+]([O-])c1ccccc1Cc1nnc(SCc2ccccc2)n1/N=C/c1ccccc1F 1874296918 AZSQQZHDOIXHKW-MFKUBSTISA-N 447.495 5.091 30 10 IKEE OCCCSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(Cl)cc1Cl 1874368052 LSIZVLCHLHKSAV-SSDVNMTOSA-N 441.771 5.262 30 10 IKEE Cc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccc(Cl)cc2)cc1 1874408529 BGQONIYAVMBVDX-WGOQTCKBSA-N 439.028 6.537 30 10 IKEE O=[N+]([O-])c1ccccc1/C=N/n1c(Cc2cccs2)nnc1SCCc1ccccc1 1874413498 WYXRVZGJELRUBG-XQNSMLJCSA-N 449.561 5.056 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2-c2cccs2)c1 1874420374 JAJDDPXFHUUEPY-PCLIKHOPSA-N 448.617 6.278 30 10 IKEE Cn1cc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2-c2ccco2)c2ccccc21 1874468422 HOCYFEAMOLMOFS-DHRITJCHSA-N 447.951 5.858 30 10 IKEE Cc1cccc(/C=N/n2c(CC(C)C)nnc2SCC(=O)Nc2cc(C)cc(C)c2)c1 1874489354 NGWCYEOSVVAOFI-AFUMVMLFSA-N 435.597 5.015 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C2CCC2)cc1O 1874496245 BQOUNHQAOQIIDJ-AUEPDCJTSA-N 449.363 5.438 30 10 IKEE CC(C)(C)c1cc(/C=N/n2c(S)nnc2-c2ccccc2Cl)cc(C(C)(C)C)c1O 1874562174 HCUADBUAXFHUDE-DHRITJCHSA-N 443.016 6.070 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCC(=O)OCC(C)C)ccc3ccccc23)cc1OC 1874571962 PFVFIRNQONBPJD-VAWYXSNFSA-N 448.515 5.331 30 10 IKEE Cc1ccc(COc2ccc3ccccc3c2/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1 1874586817 GNIRXAPVBRHOFF-FOCLMDBBSA-N 434.579 7.857 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1Cl 1874600006 OCVVWBSUJORIRD-WEVVVXLNSA-N 447.745 7.131 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc3ccccc23)c(Cl)c1)c1ccc2ccccc2c1 1874602651 XHEHYWXWNJFNBJ-FOWTUZBSSA-N 448.949 8.122 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)ccc1OCC(=O)Nc1ccc(F)cc1 1874604884 JZDBYOQPBNGEHU-VIZOYTHASA-N 447.506 5.700 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(OC)c1OCc1cc(C)ccc1C 1874618751 REDLCFZUROGWNS-DHZHZOJOSA-N 434.507 6.243 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3F)cc2)c1C 1874629078 KZMXBIIWFBUEOP-SDNWHVSQSA-N 431.507 5.973 30 10 IKEE CCOc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3cccc(Cl)c3)c2)cc1 1874699146 GZIXCDGAYRPCBU-NTEUORMPSA-N 436.891 5.619 30 10 IKEE COc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1OC 1874706106 PFUSBOOOENXLDM-OQLLNIDSSA-N 444.527 6.117 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3[nH]c4ccc(C)cc4c3C)c2)cc1F 1874707027 KZCUPKPCUSJFJT-DHZHZOJOSA-N 443.474 6.048 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](C)CSc2nnc(COc3ccc(Cl)cc3)n21 1875060617 BJSJKUDSZMSYKI-INIZCTEOSA-N 437.009 5.220 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 1875084800 AIGUAHHNTMVNMJ-XNTDXEJSSA-N 445.471 5.428 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1cccc(C)c1 1875105837 OUIFWVRXLSBBJF-UXBLZVDNSA-N 441.310 6.426 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OC(=O)CCc1ccccc1 1875115289 WGCFDIZUGZMGOB-CXUHLZMHSA-N 430.500 5.528 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Br)c2)cc(Cl)c1OC(=O)C1CC1 1875115502 HHTVFGKQTMGZCA-RMKNXTFCSA-N 449.728 5.713 30 10 IKEE C[C@H](Oc1ccc(Cl)cc1)C(=O)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1Cl 1875128100 MWWPAZVHQDHDBY-UDYBNVKDSA-N 441.310 6.262 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)c1ccc(OC)cc1 1875129060 IYQXJBOTWBLZMR-LFIBNONCSA-N 428.484 5.548 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)c(Cl)c2)cc1 1875133042 AYXSPXBLDDAENG-VIZOYTHASA-N 432.947 7.061 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2OC)cc1 1875134462 SXQGMPJMBXWVPZ-MDWZMJQESA-N 430.500 5.365 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)c3cc(C)cc(C)c3)c(OC)c2)c1 1875147524 XUSDHTYCZHLDEX-RMKNXTFCSA-N 446.499 5.445 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC(=O)CCCC 1875150548 SKUVYKQIQIMXBD-SFQUDFHCSA-N 434.576 6.713 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)cc2)cc1C 1875175720 CJAMNRQGWXQYPP-MTKZGYOSSA-N 430.931 6.562 30 10 IKEE O=C(Nc1c(F)cc(F)cc1Br)c1cccc(C(F)(F)F)c1C(F)(F)F 1889934410 KJYLSZLJFZCKIS-UHFFFAOYSA-N 448.107 6.017 30 10 IKEE C[C@H](C#N)c1cccc(C(=O)N2CCC(c3ccc4cc(-c5cccnc5)cnc4n3)CC2)c1 1891371157 ZTPUIBDJCXWSKS-LJQANCHMSA-N 447.542 5.339 30 10 IKEE COc1ccccc1OCC#CCNC(=O)c1cc(Cl)c(Cl)c(Cl)c1Cl 1891906541 CVEAGXHKXZEILU-UHFFFAOYSA-N 433.118 5.121 30 10 IKEE CC1=C(B2OC(C)(C)C(C)(C)O2)CCN(C(=O)c2ccc(OCc3ccccc3)cc2)C1 1892830743 VLAKYRKHWSIXDL-UHFFFAOYSA-N 433.357 5.059 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc([C@@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)c1 1929711146 PVRWMYBXKULVDH-OAQYLSRUSA-N 437.540 6.036 30 10 IKEE C=C1CCC(C[C@H](C[C@H](COCc2ccccc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c1ccc(Cl)cc1Br)NC 2028172232 OKDBTXFUTKZXCY-IAGOWNOFSA-N 431.802 5.093 30 10 IKEE Cc1ccc(CN(CCC(F)(F)F)Cc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2034728537 QMIULNOKZQKUSN-UHFFFAOYSA-N 433.323 5.249 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](O)c2ccc(Cl)c(Br)c2F)C1 2063050565 WEABKXIWQOJTBQ-HNNXBMFYSA-N 434.733 5.136 30 10 IKEE CCCc1ccc([C@H](n2nc(C(C)(C)C)c(C=NO)c2Br)C2(C)CC2)cc1 2079878832 TZHYBEZKTQSYHM-IBGZPJMESA-N 432.406 6.093 30 10 IKEE CC(C)c1nn([C@H](c2ccc(C(F)(F)F)cc2F)C(C)(C)C)c(Br)c1C#N 2079881690 OTCMMHTZFYPWER-MRXNPFEDSA-N 446.286 6.434 30 10 IKEE CCCc1ccc([C@H](n2nc(C(F)(F)F)c(C=NO)c2Br)C2(C)CC2)cc1 2079924951 GCDUQTUNTLCFPV-INIZCTEOSA-N 444.295 5.815 30 10 IKEE CC1([C@H](c2ccc(C3CCC3)cc2)n2nc(C(F)F)c(C=NO)c2Br)CC1 2080011938 HXMUTKRFXNKGAW-KRWDZBQOSA-N 438.316 6.048 30 10 IKEE Oc1c2c(nc3c(-c4cc(C(F)(F)F)ccc4F)c(C(F)(F)F)nn13)CCCCC2 2081281474 COYNHYCANUNTKP-UHFFFAOYSA-N 433.327 5.548 30 10 IKEE COc1c2c(nc3c(-c4ccc(C(F)(F)F)cc4F)c(C(F)(F)F)nn13)CSC2 2081321153 MKIJDCNPJVRFEL-UHFFFAOYSA-N 437.340 5.328 30 10 IKEE N#Cc1cc(F)c(Nc2ccc(Br)c(Br)c2)cc1Br 2129402183 IILKLUOWDNVUOA-UHFFFAOYSA-N 448.915 5.728 30 10 IKEE CCC[C@H]1CCOCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2165342222 DGTOWFJIWMTZMX-KKSFZXQISA-N 437.378 5.680 30 10 IKEE C=CCCCCCCC[C@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCC 2220088343 UYMCVHXKZDIKJX-RPBOFIJWSA-N 446.676 6.381 30 10 IKEE Cc1c(NC(=O)OC(C)(C)C)cccc1NC(=O)[C@H]1C[C@H](B2OC(C)(C)C(C)(C)O2)C1 2255604318 DUJKYLPIBAFPOL-WKILWMFISA-N 430.354 5.153 30 10 IKEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2255922138 NTVUBPQSRSRCDB-CPJSRVTESA-N 449.636 5.732 30 10 IKEE COc1cccc(C=C2SC(=Nc3ccccc3)N(CCc3ccccc3)C2=O)c1O 2293752401 KDRHSIVWJBNKAY-UHFFFAOYSA-N 430.529 5.248 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C 2296308181 DVYFCLZXEQMKOA-OALUTQOASA-N 437.422 5.108 30 10 IKEE CCCCCCCCOc1ccc(C=C2C=C(c3ccc(OC)c(OC)c3)OC2=O)cc1 2296473017 MVTQGERUFVZPPG-UHFFFAOYSA-N 436.548 6.424 30 10 IKEE CN(C)c1ccc(C=CC(=O)c2ccc3c4c(cccc24)C(=O)N(c2ccccc2)C3=O)cc1 2296885903 XGEPQUCZSUSWEA-UHFFFAOYSA-N 446.506 5.603 30 10 IKEE CCC(CC)(CS)CSc1cc(I)ccc1Br 2300805107 JSLBCBVUVDWGGI-UHFFFAOYSA-N 445.229 5.882 30 10 IKEE CSC1(C#C[C@@H](O)c2cc(Br)cc(NC(=O)OC(C)(C)C)c2)CCC1 2314645226 WVDPKPXBUXBOEZ-MRXNPFEDSA-N 426.376 5.119 30 10 IKEE CC(C=NN=C1SC(=Cc2ccccc2O)C(=O)N1Cc1ccco1)=Cc1ccccc1 2314840865 FUFQHHQTFBJBSE-UHFFFAOYSA-N 443.528 5.547 30 10 IKEE Cc1ccc(COc2ccccc2C=Nn2cnnc2SCc2ccc(Cl)cc2)cc1 2318575013 YBAVDCNAOMOILA-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2C2CC2)cc1 2320856227 OZQVIRWVRPMLAV-UHFFFAOYSA-N 433.625 5.793 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1cccc(F)c1)c1ccc(Br)cc1 2322427418 YKYMDPBLTVZGIT-UHFFFAOYSA-N 445.715 6.717 30 10 IKEE Cc1ccc(C(=O)C=Cc2c(OCc3c(F)cccc3Cl)ccc3ccccc23)c(C)c1 2322570098 RMENFLNDGMIICZ-UHFFFAOYSA-N 444.933 7.724 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)c1 2322617043 MQUIGPUUMBXCLB-UHFFFAOYSA-N 437.495 6.840 30 10 IKEE COc1cccc2cc(C(=O)Oc3cc(C)c4c(c3)OC(=Cc3sccc3C)C4=O)oc12 2322860540 JULVCAHFBBQURP-UHFFFAOYSA-N 446.480 5.955 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1cc(Cl)ccc1OCc1ccc(F)cc1 2322931709 DEARPCRGVDAUFT-UHFFFAOYSA-N 445.317 6.925 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccccc1OCC(=O)Nc1nccs1 2322952823 IAEZRIVSJBLXDL-UHFFFAOYSA-N 434.561 5.663 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2ccc(F)cc2)cc1Cl 2322981390 HCUIWZYBZLZZRK-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2cccc(OCc3nc(O)c4ccccc4n3)c2)cc1 2323193975 PSBLKAJMSZUXGD-UHFFFAOYSA-N 438.527 6.108 30 10 IKEE Cc1c(OC(=O)c2ccc(Cl)c(Cl)c2)ccc2c1OC(=Cc1ccccn1)C2=O 2323259654 MTLWLYHWEHGEMU-UHFFFAOYSA-N 426.255 5.532 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)cc1 2323485600 DUBXVPHZOXVRSS-UHFFFAOYSA-N 433.479 5.310 30 10 IKEE CCOc1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccncc2)C3=O)cc1 2323511669 CJDISRDBYQYSMK-UHFFFAOYSA-N 427.456 5.024 30 10 IKEE CCOc1cc(C=NNc2nc(-c3ccc(C)c(C)c3)cs2)cc(Cl)c1OC(C)C 2323844477 RUSBEBRVDZNESV-UHFFFAOYSA-N 444.000 6.712 30 10 IKEE CCCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2C)C3=O)c1 2323921162 DZQHQUCXWWPLCS-UHFFFAOYSA-N 442.467 5.536 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(OC)c1OCC(=O)OCCC 2324172553 LFVMFBQECYPFEC-UHFFFAOYSA-N 436.548 5.775 30 10 IKEE CCOC(COc1cc(C)c2c(c1)OC(=Cc1ccc(N(CC)CC)cc1)C2=O)OCC 2324744985 MJMXOXYBNMAWJR-UHFFFAOYSA-N 439.552 5.235 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3)n2N=Cc2cccc(F)c2)c1 2325441764 UGLYGWMYWMATFD-UHFFFAOYSA-N 430.552 5.685 30 10 IKEE CCCCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1cccc(OC)c1 2325530429 YDGMYCNJMFYGNX-UHFFFAOYSA-N 449.407 6.111 30 10 IKEE CCOc1c(C=Nn2c(CC)nnc2SCc2c(F)cccc2Cl)cccc1OC 2325610755 RSISNKSEDFSWNK-UHFFFAOYSA-N 448.951 5.215 30 10 IKEE CCc1ccccc1OCC(=O)Oc1cccc(C=CC(=O)c2ccc3c(c2)CCCC3)c1 2325701913 BFUBDYICSNQNCA-UHFFFAOYSA-N 440.539 6.008 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc(OCC(=O)Nc3ccc(F)cc3)c2C)C1=O 2325728321 DAZJHWFGLYENCS-UHFFFAOYSA-N 447.462 5.167 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3ccccc3OC)c2)cc1 2325739465 YHEHWJUSPDEUCW-UHFFFAOYSA-N 446.499 5.365 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1OC(=O)C(C)(C)C 2325766082 LVDJMXVLPNYMJV-UHFFFAOYSA-N 437.319 5.858 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3cccs3)c2)cc1Cl 2325767188 QEHMTNNDRMTFPU-UHFFFAOYSA-N 442.920 5.463 30 10 IKEE N#Cc1cnn(-c2cc(F)cc(F)c2)c1NC(=O)C(=Cc1ccccc1)c1ccccc1 2326211573 QQDJDIHJZKSNKF-UHFFFAOYSA-N 426.426 5.201 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(OCc2ccccc2)cc1 2326350358 LPRKLJSAUOQYLF-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE CCCc1ccc(OCc2nnc(SC)n2N=Cc2ccc(C(F)(F)F)cc2)cc1 2327320716 PTLAXIODCMQYDY-UHFFFAOYSA-N 434.487 5.433 30 10 IKEE CCCSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1ccccc1[N+](=O)[O-] 2327386090 LPRUHFXIGVWCAE-UHFFFAOYSA-N 439.541 5.102 30 10 IKEE CCCCC1CCC(c2nnc(SCC(=O)OC)n2N=Cc2ccccc2F)CC1 2328179541 YSBOASIBPXOANX-UHFFFAOYSA-N 432.565 5.029 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2N=Cc2ccc(C(C)(C)C)cc2)CC1 2328187033 JCRWRDQCNNCKKB-UHFFFAOYSA-N 440.701 7.424 30 10 IKEE C=CCSc1nnc(CCc2ccc(OC)cc2)n1N=Cc1c(F)cccc1Cl 2328579849 CMIDKKPKAWJQDE-UHFFFAOYSA-N 430.936 5.025 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(OC)c2)cc(OC)c1OC(=O)CCCC 2330734558 OPXCGVDPGULASI-UHFFFAOYSA-N 438.520 5.433 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(OCC(C)C)cc3)cc2)cc1 2330741126 AIQKDMUVJPIBHO-UHFFFAOYSA-N 428.528 6.399 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3[N+](=O)[O-])c(OC)c2)cc1 2330772753 MYPRIXICDZCOPF-UHFFFAOYSA-N 431.444 5.281 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)Cc3cc(Cl)ccc3Cl)cc2)c1 2330775836 SNDNRRWUVBHTBJ-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccc(Cl)cc3)cc2)cc1 2330824689 QRGBBCKDSRPSSU-UHFFFAOYSA-N 448.946 6.563 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc(C)cc(C)c3)c(OC)c2)cc1 2330849539 IPGGIOLHAMMFBC-UHFFFAOYSA-N 442.555 6.770 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccccc3Cl)cc2)cc1[N+](=O)[O-] 2330911127 DPDQTXAGDTULBH-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE Clc1cccc(Cl)c1C=Nn1c(SCc2ccccc2)nnc1[C@@H]1CCCO1 2330959190 SWVKQMZMTBWRCF-SFHVURJKSA-N 433.364 5.611 30 10 IKEE Oc1ccccc1C=Nn1c(SCc2ccc(Cl)c(Cl)c2)nnc1[C@@H]1CCCO1 2330994599 XGIHYSLKXZJYCF-SFHVURJKSA-N 449.363 5.317 30 10 IKEE CCOc1cc(C=Nn2c(SCc3ccc(F)cc3)nnc2C2CCCC2)ccc1O 2331032880 VMIIWEKSDSETEM-UHFFFAOYSA-N 440.544 5.354 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1Cl 2331092486 GPSKYLLXMQCQSU-UHFFFAOYSA-N 426.846 6.053 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CC(C)C)c(Br)c2)cc1 2331198302 MHOYKYUDYIGHFL-UHFFFAOYSA-N 431.326 5.695 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1cccc(Cl)c1 2331293005 ICWPNLJEFQNYFM-UHFFFAOYSA-N 446.930 6.501 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2Cl)cc1 2331319853 TVWJTVDGXVBVKH-UHFFFAOYSA-N 448.902 5.997 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccccc1OC(C)C 2331337825 DSAIEHFGDDHNNL-UHFFFAOYSA-N 443.016 6.236 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2OC)cc(OC)c1OC(=O)c1ccco1 2331375979 BLBRBJSCKVZLTA-UHFFFAOYSA-N 432.472 5.449 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2ccccc2Cl)c1 2331496422 VHGUHNFRWRTWFC-UHFFFAOYSA-N 439.972 5.120 30 10 IKEE Brc1cccc(C=Nn2c(SCCc3ccccc3)nnc2C2CCC2)c1 2331530277 OTJAFDMEWZFZAT-UHFFFAOYSA-N 441.398 5.525 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CC)c(Cl)c2)cc1 2331543408 NXNRADYUIKRVRJ-UHFFFAOYSA-N 428.956 6.901 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccccc2OC)cc1 2331545704 OEYUNMFPPLTBJB-UHFFFAOYSA-N 444.527 6.117 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3C)c(Cl)c2)c(C)c1C 2331613489 VEABDROKFXBHRA-UHFFFAOYSA-N 434.919 6.389 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3cccc4ccccc34)cc2)c1C 2331641542 FKIIBEDCHPJOHQ-UHFFFAOYSA-N 448.562 7.118 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)cc2Cl)cc1 2331645753 PVKRUQHDEZZIFN-UHFFFAOYSA-N 446.974 6.926 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)C(C)(C)C)c(OCC)c2)c1 2331684567 SVWGFRGBPJTLKG-UHFFFAOYSA-N 440.536 5.730 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)c1ccc(F)cc1 2331703492 OHCUZGJOUOGFNU-UHFFFAOYSA-N 438.882 6.220 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccs3)c(Br)c2)cc1C 2331706893 NTVIELPPGRFPJC-UHFFFAOYSA-N 441.346 6.243 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)[C@H](C)c2ccccc2)cc1 2331786959 JJHMEERXVURUCE-OAQYLSRUSA-N 426.556 6.898 30 10 IKEE CC[C@H](NC[C@@H]1CCCCN1Cc1ccccc1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363837671 AZCCCUNICXFMTD-UIOOFZCWSA-N 448.460 5.081 30 10 IKEE Cc1cc(Br)c(Oc2ccc(N)c(C#N)c2C)cc1NC(=O)OC(C)(C)C 2370351190 LWEXIIMPRJGVPQ-UHFFFAOYSA-N 432.318 5.659 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C(C)C)cc1)N2 14462924 CQBVXCZRZFFYER-CLCZQPDDSA-N 448.632 5.999 30 10 IKEE C=CCN1C(=O)/C(=C/c2c(Cl)cccc2Cl)S/C1=N\c1ccc(C(=O)O)cc1 16929185 WVEJBQSPEYYCHD-NKHYKUCGSA-N 433.316 5.482 30 10 IKEE COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1c[nH]c2ccccc12 20881837 IWGOAFGVZQHBHE-HPGBDJQBSA-N 435.527 6.156 30 10 IKEE O=C1C[C@H](c2ccccc2Cl)CC2=C1[C@@H](c1ccc([N+](=O)[O-])cc1)Nc1ccccc1N2 21220051 MGZWLRUREAQEOD-PUAOIOHZSA-N 445.906 6.228 30 10 IKEE COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2c[nH]c3ccccc23)c1 21231164 SIXAYANJBIKLBF-WRHNGFHOSA-N 435.527 6.156 30 10 IKEE Cc1ccc(-c2cc(/C=C\c3ccc(C(=O)O)cc3)c(C#N)c3nc4ccccc4n23)cc1 33502688 VRNYNZRSBLEKAQ-GDNBJRDFSA-N 429.479 6.203 30 10 IKEE C=CCn1nc(SCC(=O)c2cc(C)ccc2C)nc1-c1ccc(Br)cc1 72264457 TYDHTNAHKWJYHC-UHFFFAOYSA-N 442.382 5.485 30 10 IKEE CCCC/N=C(/C=C1/SN(CC)C(=S)N1c1ccccc1)c1ccc(Cl)cc1 83329959 OPWCBPGPXAQPKY-OQLSJMBCSA-N 430.042 6.546 30 10 IKEE C/C(=N\OCc1cccc(C)c1)c1cc(-c2ccc(F)cc2)n(-c2ccc(C)cc2)c1C 97637267 YLSRXAAFUYSOPU-MWAVMZGNSA-N 426.535 7.149 30 10 IKEE CCCCCCCCOc1ccc(N/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)cc1 97997937 IYVGOXPHYUNJJL-XLNRJJMWSA-N 426.944 6.336 30 10 IKEE CCCCCCCC(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccccc2OCC)cc1 98021408 YCTKIQFCNKCZBM-VWLOTQADSA-N 440.609 6.163 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2cccc(C(=O)NC[C@@H]3CCCO3)c2)cc1 100298356 NXUGTIGPVKSIOX-DEOSSOPVSA-N 438.568 5.197 30 10 IKEE COc1cc(/C=N/Nc2ccc(C)c(Cl)c2)cc([N+](=O)[O-])c1OCc1cccc(C)c1 169879464 VHCDZDQDEACLFB-DHRITJCHSA-N 439.899 5.899 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccc(N(C)C)cc2)cc1 169953921 OBBOYRUXOAIOMV-AREMUKBSSA-N 440.543 5.163 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(N(C)C)cc2)cc1C 169956878 XNWOAJCROZRGMR-XMMPIXPASA-N 432.564 5.280 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2cc(F)ccc2F)c1 169971707 PQYPJQYQRRIXGD-QFIPXVFZSA-N 437.417 5.504 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1cccs1 169985862 NNMNLWHBUSPGFE-FQEVSTJZSA-N 439.920 5.501 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccccn2)cc1Cl 169996267 ZQNIUUNVCGMUJN-QFIPXVFZSA-N 443.890 5.308 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccccc2)cc1 170049021 QXNIKSALHVOURN-MHZLTWQESA-N 447.534 6.746 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccc(C)o2)c1 170099536 BRTZFEKDTBZELP-QHCPKHFHSA-N 431.488 5.386 30 10 IKEE Cc1cccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)c1C 170137244 CGZIRISCJFIFPM-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2cccs2)cc1 170157366 VDOMYEOPVLZXRF-NRFANRHFSA-N 435.501 5.024 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2cccs2)cc1C 170160545 KCDJAIXGIGZQPQ-QFIPXVFZSA-N 449.528 5.170 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccs2)cc1C 170163285 HNAUTRCABDPEGQ-JOCHJYFZSA-N 448.544 5.019 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccccn1)c1ccc(Cl)c(Cl)c1 170169148 YWJWDDZKECCZNX-IBGZPJMESA-N 443.261 5.310 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccn2)cc1C 170170672 FCPGSADUFHPWFD-DEOSSOPVSA-N 442.515 5.270 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)[C@@H]2c2ccccn2)c1 170170697 IFJYMUQGBHMATE-QFIPXVFZSA-N 444.874 5.573 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1cccnc1)c1cc2cc(Cl)ccc2o1 170184265 JXBSMOQLCYWIOP-OAQYLSRUSA-N 448.837 5.403 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2cccnc2)cc1 170188965 IRRAJGVBFKQPGL-QFIPXVFZSA-N 448.906 5.307 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@@H]1c1ccccc1 170225675 SUJSFHJGPRVOLE-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccccc1)c1ccc(Cl)c(Cl)c1 170230742 DGYOJUISGNTJQS-HXUWFJFHSA-N 439.298 5.167 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2)[C@@H]1c1ccc(Cl)cc1 170236739 NUGWVTQXMZUKMM-NRFANRHFSA-N 427.928 5.507 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1c[nH]c2ccccc12 170256210 YRXIRTZCNBBUOW-FYSMJZIKSA-N 444.531 5.260 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc(O)c2)cc1 170261881 YSHNRXDNMYZXJB-HSZRJFAPSA-N 435.520 5.092 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2c(OC)cccc2OC)[C@H]1c1ccc(CC)cc1 170268356 ZHEDBXIKURPMCE-HSZRJFAPSA-N 437.536 5.035 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccccc2C)c1 170271613 DAOLKRRTFOKTPT-BVZFJXPGSA-N 439.511 5.410 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1c1ccc(C#N)cc1 170272771 YWQCWVUODWWVRQ-JOCHJYFZSA-N 428.875 5.303 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1Cc1ccccn1 170316635 SZQODQUMMQHKQZ-NRFANRHFSA-N 448.544 5.017 30 10 IKEE C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CCC)c1 170324384 HNTHKEWLKRLVED-HXUWFJFHSA-N 446.330 5.547 30 10 IKEE CC(C)OC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccccc2)c1 170372627 YNUOQUFBNXGGSN-NRFANRHFSA-N 447.512 5.096 30 10 IKEE CC(=O)Nc1cccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 170470522 KHTVEJGQJNEKFL-QFIPXVFZSA-N 448.563 5.458 30 10 IKEE Cc1c(N=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c(=O)n(-c2ccccc2)n1C 254486694 GBIHUMJNBWGXIQ-UHFFFAOYSA-N 436.855 5.057 30 10 IKEE CCCCCCCOc1ccc(/C=C2\SC(=S)N(N=Cc3ccccc3)C2=O)cc1 254868790 COIIFHAEXFDIGO-SNIVHWAJSA-N 438.618 6.271 30 10 IKEE CCCCCCCCCC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]12C 256165494 XXXNFLRIRGXPDQ-QPCYKJICSA-N 440.668 7.604 30 10 IKEE CC(=O)[C@]12O[C@@](C)(c3ccccc3)O[C@H]1C[C@@H]1[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 263592573 AHBKIEXBQNRDNL-XCWLXJHVSA-N 448.603 5.744 30 10 IKEE CC(C)(C)OC(=O)/C=C\[C@@H]1[C@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C 514268747 ZKSDXGULOGNJAQ-KPTZWZBDSA-N 447.531 5.757 30 10 IKEE Cc1ccc([C@@H]2C(c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)o1 526514985 GGYXNSOTACWIGA-XMMPIXPASA-N 428.488 5.552 30 10 IKEE CC(C)COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccc(F)c2)cc1 526518296 WSPVSRTYNSYHIS-RUZDIDTESA-N 442.490 5.789 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1ccc(Br)cc1 526802432 HRHMIOCXMYASTI-UUYOSTAYSA-N 433.350 5.307 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1cc(OC)ccc1OC 526816885 KQEGDUWAXOHAFL-OYKKKHCWSA-N 444.988 5.466 30 10 IKEE CCCCCCC[C@H](N)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 686824797 JZKNWPINOAGRRO-QHCPKHFHSA-N 431.665 5.624 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 698490177 SFEAZNUPSOPOEH-YADARESESA-N 429.561 5.500 30 10 IKEE CC(=NNc1nc(SCc2ccc(C(C)(C)C)cc2)n[nH]1)c1ccc2ccccc2c1 1084104279 DZNWFMYKMHBTKD-UHFFFAOYSA-N 429.593 6.384 30 10 IKEE O=C(Nc1cccc(Cl)c1)[C@@H]1CC(=O)N(Cc2ccccc2)C(=Nc2ccccc2)S1 1084405743 DHQCSNGHWQFJRY-NRFANRHFSA-N 449.963 5.501 30 10 IKEE FC(F)(F)c1cc(/N=C/C=C\Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1Cl 1088674276 XIZOAASSCVQGDQ-OQBGECADSA-N 427.175 7.359 30 10 IKEE Cc1c(N=Nc2cccc(Br)c2)c(O)n([C@@H](C)c2ccccc2)c(=O)c1C#N 1772741329 GMAXUOGBTQWWGD-AWEZNQCLSA-N 437.297 5.521 30 10 IKEE Cc1cc(C)cc(NC(=O)Oc2cccc3c(NC(=O)c4cccc(C#N)c4)cccc23)c1 1858780206 PEAAPVNUUAXJPY-UHFFFAOYSA-N 435.483 6.192 30 10 IKEE CCOC(=O)c1sc(NC(=O)c2c3c(nc4ccc(Cl)cc24)CCC3)c(C#N)c1C 1859482419 HUAIXXSPKAISTP-UHFFFAOYSA-N 439.924 5.048 30 10 IKEE C[C@@H]1CCCC[C@@H]1N(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 1859951335 XTHPHKMPTUZZIG-YJYMSZOUSA-N 447.394 7.089 30 10 IKEE C=C(C)Cc1c(C)nn(CCC(=O)N[C@H](c2nc3ccccc3n2C(C)C)C(C)C)c1C 1860304867 BEADRKLBCGPMTE-VWLOTQADSA-N 435.616 5.453 30 10 IKEE N#Cc1cccc(C(=O)Oc2ccc(C3=CCN(C(=O)c4ccccc4Cl)CC3)cc2)c1 1860673139 GFDFWYHKPYILML-UHFFFAOYSA-N 442.902 5.360 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1Cl 1862435945 IKBWNBQNHTWKTB-OAQYLSRUSA-N 448.862 5.027 30 10 IKEE COc1cc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C(C)C)ccc1OC(C)C 1862439005 UDOFZWHEPLJHER-OAQYLSRUSA-N 443.927 5.123 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@H]1c1cccc(F)c1)c1cccc(Cl)c1 1862445229 RDBXFCYNDJBLRD-QFIPXVFZSA-N 439.914 5.948 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc2ccccc12 1862449078 BMUGDCDYZQNYCJ-HSZRJFAPSA-N 433.935 6.118 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccccc2C)c1 1862489782 GSHWDRICFAZLHZ-RUZDIDTESA-N 425.528 5.433 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccc(F)cc2)cc1 1862529621 INSWOSHPCYWNGW-HSZRJFAPSA-N 433.454 5.306 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(F)cc2F)cc1 1862534168 PLYADZKVNRMHDT-QHCPKHFHSA-N 433.454 5.306 30 10 IKEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1cccc(C)c1 1862613968 UMGWSMIWGGXHBI-DEOSSOPVSA-N 448.607 5.213 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1c(F)cccc1Cl 1862644308 ICXMIYSXBHDPBS-FQEVSTJZSA-N 449.881 5.395 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(O)c(O)c1 1862652959 NFRJVYIPEZPPKF-QHCPKHFHSA-N 431.488 5.020 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862659649 BYUODMDLMLVWKM-RXFWQSSRSA-N 439.555 6.458 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1 1862675670 QUYZNVIQRXXUMK-MMACOIQUSA-N 427.903 5.636 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(Cl)cc2)c1 1862701198 YDLJTOOOLTWWHX-JOCHJYFZSA-N 439.939 5.650 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CC(C)C)cc1 1862707761 DGNVAEJLSPLQOV-QHCPKHFHSA-N 437.536 5.108 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(F)cc3F)C2=O)cc1Cl 1862942544 UJUYVRGJZKFJMZ-UHFFFAOYSA-N 449.844 5.195 30 10 IKEE CCCOc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cccc(C)c3)C2=O)cc1 1862972184 LNMMBYVVHKVWDB-UHFFFAOYSA-N 437.499 5.052 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccccc3Cl)C2=O)c1 1863068374 PMWIXTOWGDONJC-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CCOc1ccccc1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccccc2Cl)C1=O 1863068432 FZBNDWASTOLZMT-UHFFFAOYSA-N 443.890 5.007 30 10 IKEE N#Cc1ccccc1NC1=C(c2cc(Cl)ccc2Cl)C(=O)N(Cc2ccccc2)C1=O 1863392176 SBHLXQIHQLBCTA-UHFFFAOYSA-N 448.309 5.257 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(Br)cc2)C(=O)N(C(C)C)C1=O 1863555296 SCTGXWGUVFTJRC-UHFFFAOYSA-N 449.433 5.668 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccco2)=C(c2ccc(F)cc2F)C1=O 1863657255 QQFCJVGQLDZVMB-UHFFFAOYSA-N 444.522 5.568 30 10 IKEE Cn1nc(-c2ccccc2F)c(C#N)c1NC(=O)c1cc(C(C)(C)C)nc2ccc(F)cc12 1866280766 BAJYEFYMJDXNDC-UHFFFAOYSA-N 445.473 5.335 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3ccccc3[C@@H]2c2ccc(OC)cc2)nc(CC)n1 1869126963 KHEHYGDBJLLKJR-NDEPHWFRSA-N 440.591 5.378 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCc2ccccc2)cn1Cc1cccc(C)c1 1870690809 YOJPPCKGMFZAGQ-UHFFFAOYSA-N 428.576 5.001 30 10 IKEE C=CCn1cc(OCc2cccc(Cl)c2)c(=O)cc1CNc1ccc(Cl)c(Cl)c1 1870827035 FBISVXPRRLEOKO-UHFFFAOYSA-N 449.765 6.186 30 10 IKEE CCCCCCCOc1cn(CCc2ccccc2)c(CNc2cccc(C)c2C)cc1=O 1870830369 KYLSLKAZNNLMAA-UHFFFAOYSA-N 446.635 6.669 30 10 IKEE CCCCCCCCn1cc(OCCCC)c(=O)cc1CNc1ccccc1C(C)C 1871111161 VXBTXJHGZXDXOZ-UHFFFAOYSA-N 426.645 7.123 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2Cl)Oc2c1ccc1c2CN(C2CCCCCC2)CO1 1871347649 NTMZULHXUPCZRC-JJFYIABZSA-N 444.358 6.484 30 10 IKEE CCCCCCCCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1cccc(C)c1)C3=O 1871350679 PGKHVPJRAURMPM-ITYLOYPMSA-N 447.619 7.212 30 10 IKEE CCCCC[C@H](CC)N1COc2c(cc3c(c2C)O/C(=C\c2ccc(N(C)C)cc2)C3=O)C1 1871353340 MJPFEVPJPVFAMF-JOODZBNRSA-N 448.607 6.188 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 1871371777 IIKLMNYUUHRUIU-FBHDLOMBSA-N 443.257 5.897 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc(C)c2C1=O 1871374992 NNRQAPNLSOYGDF-UUYOSTAYSA-N 445.427 5.056 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(ccc(OC(=O)CC4CCCCC4)c3C)C2=O)cc1 1871380410 NCOVZUNYWITPJO-UQQQWYQISA-N 447.575 6.333 30 10 IKEE CCCCC1CCC(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)CC1 1871383180 NJLKZTZGKWHGBG-IWIPYMOSSA-N 436.523 6.652 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1 1871387709 LAHCGAPYJSOZSH-UCQKPKSFSA-N 445.427 5.219 30 10 IKEE C=CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1 1871389653 IGFHSMNBTIFLAG-IWIPYMOSSA-N 426.468 5.704 30 10 IKEE O=C1/C(=C/c2cccnc2)Oc2c1ccc(O)c2CN(C1CCCCC1)C1CCCCC1 1871393216 VZWGTRIJLDFBDT-XYGWBWBKSA-N 432.564 5.871 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OCCCCOc4ccccc4C)c3C)C2=O)c1 1871404317 HWJNTSBCWXXGOA-ITYLOYPMSA-N 444.527 6.166 30 10 IKEE CCOC(COc1cc(C)c2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O)OCC 1871416099 LYNHQLLQYPAYLK-ODLFYWEKSA-N 437.319 5.696 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O)Nc1ccc(Cl)cc1F 1871446834 JJYIDKGSOAFTIC-NKVSQWTQSA-N 441.817 5.252 30 10 IKEE Cc1cc(OCCC(=O)Nc2ccccc2)cc2c1C(=O)/C(=C/c1cccc(Cl)c1)O2 1871447049 NTGLCLAAHTVLSU-HMAPJEAMSA-N 433.891 5.672 30 10 IKEE Cc1c(OCC(=O)Nc2ccccc2F)ccc2c1O/C(=C\c1ccccc1Cl)C2=O 1871459792 DIBDEAVQPTZQQE-MTJSOVHGSA-N 437.854 5.421 30 10 IKEE CCCCCCCCN=c1nc(N2CCC[C@H](C)C2)[nH]c(=Nc2cccc(Cl)c2)[nH]1 1871647942 QMJQEXLRPATOHB-SFHVURJKSA-N 431.028 5.121 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccccc1)S(=O)(=O)c1c(C)cc(C)cc1C 1872131495 YZHJWEAOIVGMCN-QHCPKHFHSA-N 442.625 5.232 30 10 IKEE CCCOc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 1872760896 AFZKYBGJOQIMSS-LJQANCHMSA-N 436.533 5.035 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccccc3OCC)n2)cc1 1872769742 AXQVYXQMWPXYFW-IBGZPJMESA-N 436.533 5.253 30 10 IKEE COc1c(Cl)cc(-c2csc([C@H](C#N)C(=O)Cc3ccc(C)cc3)n2)cc1Cl 1872785249 JFIKMGQTZGLGKA-OAHLLOKOSA-N 431.344 5.853 30 10 IKEE COc1ccc(OC)c(CC(=O)[C@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)c1 1872787648 OPKXJZHDNHTTDI-INIZCTEOSA-N 447.343 5.553 30 10 IKEE Sc1nnc(C2CCCCC2)n1/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 1873502799 WGHSTBLDGIPPLF-ZVHZXABRSA-N 426.973 5.729 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(N(CC)CC)cc2C)cc2c(NCCCCC)ncnc21 1873623114 UTPAIGRNJZMSCS-UHFFFAOYSA-N 448.615 5.626 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3cc(C)c(Cl)cc3OC)c(=O)oc2c1 1873965248 GGYNMXDFPKIREL-UHFFFAOYSA-N 441.911 5.208 30 10 IKEE CCOc1ccc(OCc2nnc(SCc3cccc(C)c3)n2/N=C/c2ccco2)cc1 1874234991 LHCCBNMFPKPBCV-MFKUBSTISA-N 448.548 5.332 30 10 IKEE CCOc1ccc(OCc2nnc(SCC)n2/N=C/c2ccccc2OC(C)C)cc1 1874235597 QXEDFCTYEPIKOD-BUVRLJJBSA-N 440.569 5.037 30 10 IKEE CCCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccc(Cl)cc1 1874255978 RUVKEBBPDKGVPV-ZMOGYAJESA-N 428.989 5.820 30 10 IKEE COc1cccc(CCc2nnc(SCc3ccc(C)cc3)n2/N=C/c2ccccc2)c1 1874308128 HVFWPMGMJCRQOX-OVVQPSECSA-N 442.588 5.555 30 10 IKEE Clc1ccccc1CSc1nnc(CCOc2ccccc2)n1/N=C/c1ccccc1 1874346402 NCMJEQTUUUZXFA-YZSQISJMSA-N 448.979 5.728 30 10 IKEE Clc1ccccc1CSc1nnc(COCc2ccccc2)n1/N=C/c1ccncc1 1874355196 FIDDOYIEVOQWHF-VULFUBBASA-N 449.967 5.218 30 10 IKEE Oc1ccccc1/C=N/n1c(COCc2ccccc2)nnc1SCc1ccccc1F 1874355482 MFSWRCJFKIQXTN-VULFUBBASA-N 448.523 5.014 30 10 IKEE C=CCSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1ccc(OCC)c(OC)c1 1874359655 SAPVWTHUALSJJC-PCLIKHOPSA-N 436.581 5.053 30 10 IKEE Fc1ccc(CSc2nnc(COc3ccccc3)n2/N=C/c2cccc(F)c2)cc1 1874382853 LOVGLJNYOJSRGY-VULFUBBASA-N 436.487 5.310 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)cc3)n2/N=C/c2cccc(Cl)c2)cc1 1874387504 QHULYSPZPSABPQ-JVWAILMASA-N 447.007 6.314 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2cccc(F)c2)cc1 1874389609 VNVVTNMXRMSIKJ-OVVQPSECSA-N 430.552 5.533 30 10 IKEE COc1ccc(OC)c(/C=N/n2c(SCc3cccc(C)c3)nnc2-c2ccccc2)c1 1874427227 XOPMGMSMWHURHH-WGOQTCKBSA-N 444.560 5.445 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2-c2ccccc2)cc1 1874429820 DJSGLBBUFWYSGV-DHRITJCHSA-N 438.915 5.618 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccco3)n2/N=C/c2ccccc2OC(C)C)cc1 1874464182 VPHOLZWOAPHAKL-MFKUBSTISA-N 432.549 5.808 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc(OCC)cc1 1874479636 JVVGFIOKNRPQOB-BUVRLJJBSA-N 428.989 5.847 30 10 IKEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3cc(C)ccc3C)nnc2C2CCC2)cc1 1874493460 NLGIGIJRGABZKE-AFUMVMLFSA-N 433.581 5.084 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C2CCC2)cc1 1874496637 XAJDCKMBKQMPKX-DHRITJCHSA-N 445.419 6.589 30 10 IKEE COCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1cccc(F)c1 1874506369 ZHFSCOMZGYXFJB-LSFURLLWSA-N 425.316 5.045 30 10 IKEE CC(C)c1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc2c(c1)OCCO2 1874514940 NEMLLTHRPSMORU-BHGWPJFGSA-N 446.935 5.140 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2ccc(C(C)C)cc2)c(C)c1 1874517274 PSUKIRKHZGZRPH-VULFUBBASA-N 449.624 5.755 30 10 IKEE CC(C)(C)Cc1nnc(S)n1/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1 1874560255 OLMGHJBVPXXQBC-WYMPLXKRSA-N 449.407 5.923 30 10 IKEE Cc1ccc(OCc2nnc(S)n2/N=C/c2ccc(C(C)(C)C)cc2)c(C(C)(C)C)c1 1874569353 SOPPUFPVBZSAFN-CVKSISIWSA-N 436.625 5.931 30 10 IKEE COC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(Br)cc1 1874574473 OUTWJJCMVFCPIW-VAWYXSNFSA-N 425.278 5.050 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2c(C)cccc2C)c(C)c1 1874578735 DLNQFSKGXNYOLL-FMIVXFBMSA-N 447.962 6.487 30 10 IKEE Cc1ccc(C(=O)/C=C/c2c(OCc3c(Cl)cccc3Cl)ccc3ccccc23)cc1 1874579580 WJLFZGDAIWYJGS-CCEZHUSRSA-N 447.361 7.930 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccc(C)c(C)c2)cc1 1874579765 HEUADVWAPXEZBG-FOWTUZBSSA-N 443.543 6.006 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1OCc1ccc([N+](=O)[O-])cc1 1874592760 AFKYJVYFVFEVLB-RIYZIHGNSA-N 439.467 6.232 30 10 IKEE O=C(/C=C/c1cccc(OCc2cccc3ccccc23)c1)c1cccc(Br)c1 1874594821 FFWBBIZWLUIUPM-CCEZHUSRSA-N 443.340 7.077 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1 1874610888 QQMMZAFKMFKCKT-MDWZMJQESA-N 437.879 6.122 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1)Nc1ccccc1 1874616017 XDXUKYMVDCSRBC-MDWZMJQESA-N 426.299 5.907 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)c(C)c1 1874617744 RGJWVETWCAEDEO-JXMROGBWSA-N 439.324 6.680 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(OC)c1OCc1ccc(F)cc1 1874624179 PSDAFJMYEFOCLS-VGOFMYFVSA-N 434.507 6.441 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cc(Br)c(OC)c(OC)c1 1874634851 XBNFWLPHBXCNPO-AATRIKPKSA-N 425.706 5.333 30 10 IKEE CCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(OC)c1 1874686619 YFYSMYNNBNUPGF-VWLOTQADSA-N 449.595 5.593 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OC(=O)Cc1cc(C)ccc1C 1874696919 IQYSQPJEQQOOMZ-ZRDIBKRKSA-N 434.919 6.010 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cccc(OC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)c1 1874698858 QVMYUKUTPHYMRA-WQHODERWSA-N 432.903 5.954 30 10 IKEE Cc1cccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)cc2)c1C 1875096811 GIEYZCIQTUQRKB-SFQUDFHCSA-N 440.539 6.063 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Br)c2)ccc1OC(=O)C(F)(F)F 1875115512 IEBLLCXSXGSJNN-SOFGYWHQSA-N 443.215 5.212 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccccc2OC)cc1Cl 1875118650 HRHROOBAPWEBEY-JQIJEIRASA-N 428.956 6.901 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)CCCOc1cccc(C)c1 1875128669 OIIMQCAZQSLCQQ-JQIJEIRASA-N 444.527 6.054 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC(=O)Cc1cc(C)ccc1C 1875144110 FQLMMMSCYPWYFK-PKNBQFBNSA-N 444.527 5.673 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccc(Cl)cc3)cc2)cc1 1875148330 BJIYGQBQKIEJMV-QGMBQPNBSA-N 446.974 7.072 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)c3ccccc3)c([N+](=O)[O-])c2)cc1 1875157120 UMUBJURYHYJROY-POUQMFDLSA-N 443.499 6.323 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)c(OC)cc2OC)cc1[N+](=O)[O-] 1875174254 HWZUZOZOJWPPDL-VQHVLOKHSA-N 447.871 5.257 30 10 IKEE C[C@H](C#N)c1cccc(C(=O)N2CCC(c3ccc4cc(-c5ccccc5)cnc4n3)CC2)c1 1891462329 PVGGHUSCXWPFDF-HXUWFJFHSA-N 446.554 5.944 30 10 IKEE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(C)c(C#N)c1 1901536522 FNPBQAYSJOFGJQ-VWLOTQADSA-N 439.515 5.123 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC[C@@H](CC)CCNC(=O)OC(C)(C)C)NCCC 1922078001 SLADYPUXVIHCKC-VWNXMTODSA-N 432.649 5.849 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1C[C@H](CC)CCN1C(=O)OC(C)(C)C 1922118694 JXWVTXIRSQSVFI-JRFVFWCSSA-N 430.633 5.553 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)cc1 1929715588 XWYMZUDELOMNBL-OAQYLSRUSA-N 437.540 6.036 30 10 IKEE CCCN(C(=O)OC(C)(C)C)[C@H](C#N)c1c(Br)cccc1Br 1931397492 HKZRSJFIQYFMBP-CYBMUJFWSA-N 432.156 5.423 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 1944587291 BSIAJPROYOTIJF-QMHKHESXSA-N 433.524 5.154 30 10 IKEE N#Cc1cccc([C@H](CCCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 1951532808 QBNTVIPOSRVRPY-VWLOTQADSA-N 440.499 5.393 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@@](C)(C#N)[C@@]1(C)CCN1C(=O)OC(C)(C)C 1999897395 NOQDHOYPAWJIBG-PKTZIBPZSA-N 449.979 5.763 30 10 IKEE C=CC1(C[C@@H](N)CC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)CCC1 2002634614 UXYJIABUZOCDNM-JOCHJYFZSA-N 427.633 5.010 30 10 IKEE C=CCC[C@H](C)[C@@H](NCCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2041894989 XNJLOAPUJRJEIL-CAKYRVLISA-N 444.660 5.801 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@H]3C[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)c1 2046019747 QCDKBHLHDFTRFC-UNMPFANTSA-N 441.572 5.322 30 10 IKEE Fc1cc(Cn2nc(C3CC3)c(Br)c2C(F)(F)F)cc(C(F)(F)F)c1 2079023043 MNOOSDZVBWTILF-UHFFFAOYSA-N 431.149 5.748 30 10 IKEE N#Cc1cnc2c(-c3ccc(I)cc3)c(C3CCCC3)nn2c1Cl 2081226437 ARXULHJQBRIPGK-UHFFFAOYSA-N 448.695 5.184 30 10 IKEE Fc1ccc(-c2cc(Cl)n3nc(C(F)(F)F)c(C4CCC4)c3n2)c(C(F)(F)F)c1 2081276685 OYQFIGRGCOKESD-UHFFFAOYSA-N 437.746 6.494 30 10 IKEE C=CCCCCCCCCC[C@H](O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2086263881 MLZBZGOHFBGXTA-PZUNEJSGSA-N 447.660 6.543 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1nc(C2CC2)cs1 2093263191 NFVIZNDEUZTLIC-INIZCTEOSA-N 434.359 5.789 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCC2(CCNCC2)C1 2155273001 WFBJIEOGFUUIRN-OAQYLSRUSA-N 434.378 5.007 30 10 IKEE C=CCCCC[C@@H](NCCC)[C@@H](O)c1cc(Br)c(Br)s1 2179676018 BTVLNPNNPLHYRJ-TZMCWYRMSA-N 425.230 5.421 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)Nc2cccc(CC#N)c2)c1 2181049245 WILRVUXSXKMCMQ-UHFFFAOYSA-N 430.302 5.114 30 10 IKEE CCCCCCCC[C@](C)(CO)N(C(=O)OC(C)(C)C)c1ccccc1Br 2240555134 CKCLNWRVXUQPKW-JOCHJYFZSA-N 442.438 6.692 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)c(Br)cc1Cl 2252876342 DGKNPSGEKKEUSX-LBPRGKRZSA-N 438.149 5.164 30 10 IKEE Cc1ccc(C(=O)N(Cc2ccccc2)CC2CCCC2)cc1B1OC(C)(C)C(C)(C)O1 2267237955 WFIHKFLGVHIMOM-UHFFFAOYSA-N 433.401 5.127 30 10 IKEE Cc1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)sc1B1OC(C)(C)C(C)(C)O1 2267266773 RTHHRCOBFFKKQW-UHFFFAOYSA-N 449.381 5.187 30 10 IKEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)c2ccccc2)c1 2267602864 STLDNHSGRGBPSD-UHFFFAOYSA-N 427.353 5.141 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3cc(OCc4ccc(F)cc4)ccc3C1=O)cn2C 2296871358 PUTWBNPATFHEOE-UHFFFAOYSA-N 429.447 5.521 30 10 IKEE CCCCCCCCOc1ccc(NC=C2N=C(c3cccc4ccccc34)OC2=O)cc1 2297413290 PECVOBPXJQXXMJ-UHFFFAOYSA-N 442.559 6.836 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2ccccc2F)cc1 2297735011 JUPPCYMDCKUKNV-DEOSSOPVSA-N 429.447 5.017 30 10 IKEE Cc1ccc(N2C(=O)C(C)(C)[C@H](N3CCCCC3)C2=NC23CC4CC(CC(C4)C2)C3)cc1 2297736813 VXANDOXHZPFXFR-BUWJWBKWSA-N 433.640 5.590 30 10 IKEE CC[C@]1(C)N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2300005698 AFWYBTQSICKMHU-BJKOFHAPSA-N 429.561 5.500 30 10 IKEE CCN1C(=O)C(=Cc2ccc(-c3ccccc3Cl)o2)SC1=Nc1nc(C)cs1 2314544086 SSFTUMKJAUQYOS-UHFFFAOYSA-N 429.954 5.989 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OCc3ccc(Br)cc3)c2C)C1=O 2321844664 RXRQLCHLJZPCRQ-UHFFFAOYSA-N 435.317 6.261 30 10 IKEE CCCCCN1COc2ccc3c(c2C1)OC(=Cc1ccc(Br)cc1)C3=O 2322047751 LHXBPYPHGLGNEV-UHFFFAOYSA-N 428.326 5.407 30 10 IKEE CCCCCN1COc2c(cc3c(c2C)OC(=Cc2ccc(Br)cc2)C3=O)C1 2322346996 PRJWTXVQOOTCST-UHFFFAOYSA-N 442.353 5.716 30 10 IKEE COc1cccc(C(=O)C=Cc2c(OCc3ccccc3Cl)ccc3ccccc23)c1 2322371647 JKZKBNMPRBQQQP-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE CCOc1ccc(C(=O)C=Cc2c(OCc3cccc(Cl)c3)ccc3ccccc23)cc1 2322549802 WXERKKXVCAOCPN-UHFFFAOYSA-N 442.942 7.367 30 10 IKEE O=c1c(Cl)c(NN=Cc2ccc(Cl)c(Cl)c2)cnn1-c1cccc(Cl)c1 2322607224 RDUMHNNKAFRAPD-UHFFFAOYSA-N 428.106 5.292 30 10 IKEE O=C(C=Cc1ccccc1OCc1c(Cl)cccc1Cl)c1ccc2c(c1)OCO2 2322687760 LNLYLFLYBJHYMT-UHFFFAOYSA-N 427.283 6.197 30 10 IKEE Cc1ccc(CCC(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2323081353 WMUHLLHTCKZTRM-UHFFFAOYSA-N 432.903 6.111 30 10 IKEE Cc1cc(OC(=O)Cc2ccc(F)cc2)cc2c1C(=O)C(=Cc1c(F)cccc1Cl)O2 2323229873 GMEFZDZNEXIMMV-UHFFFAOYSA-N 440.829 5.691 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OC(=O)c3cccc(OCC(C)C)c3)ccc2C1=O 2323579833 FQLLARCTJRIVNT-UHFFFAOYSA-N 434.513 5.927 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2323627639 CELQCBGGLIDYHC-UHFFFAOYSA-N 448.858 5.409 30 10 IKEE COc1c(Br)cc(C=CC(=O)c2ccc(F)cc2F)cc1Br 2323720712 ZNPRDCUAHUVIGK-UHFFFAOYSA-N 432.058 5.395 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1 2323829808 YIAFCILILJRJEB-UHFFFAOYSA-N 427.327 6.867 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2sccc2C)C3=O)cc1 2323831281 OUYCXMWSNRZEPS-UHFFFAOYSA-N 434.513 5.989 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(CC)cc2)C3=O)cc1 2323865992 DWGWAYDJYUCBHR-UHFFFAOYSA-N 440.495 5.958 30 10 IKEE CC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=CC=Cc2ccccc2)C3=O)c1 2323900878 JCFPMNFOYYOXRZ-UHFFFAOYSA-N 440.451 5.312 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1OCc1cccc(F)c1 2323907898 OTWBZJBDRGUYLU-UHFFFAOYSA-N 435.451 5.916 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccc(F)cc4)cc(C)c3C2=O)cc1 2324317547 IFBSHOYRLJVSKY-QGZVFWFLSA-N 431.463 5.465 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccccc1F 2324456176 LBRFRKPZRWKOFT-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE COc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccc(F)cc1)C2=O 2324473642 HNCIUMOYBGYHFA-MRXNPFEDSA-N 447.462 5.165 30 10 IKEE O=C1C(=Cc2cccc([N+](=O)[O-])c2)Oc2cc(OCCCCOc3ccccc3)ccc21 2324574808 PYQYLZAESAVOPY-UHFFFAOYSA-N 431.444 5.449 30 10 IKEE CCOc1ccccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1sccc1C)C2=O 2324897023 NXIQSIJNNVVEBC-UHFFFAOYSA-N 449.528 5.397 30 10 IKEE Cc1cccc(C(C)C)c1NC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O 2324989648 IDUZTDZKRIOCCY-UHFFFAOYSA-N 445.490 5.891 30 10 IKEE Cc1ccc2oc(=O)cc(COc3ccc4c(c3)OC(=Cc3ccccc3Cl)C4=O)c2c1 2325741251 HTBIDPFXZGRPJJ-UHFFFAOYSA-N 444.870 5.950 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(C)cc3)c2)cc1Cl 2325767197 RYRFPUVSTXFDPL-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cccs3)c2)cc1Cl 2325767575 VIUBBAFGABXJFJ-UHFFFAOYSA-N 428.893 5.534 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3cc(C)ccc3C)c2)cc1Cl 2325768203 ITCRWHXRMPRRSS-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccccc1C 2326006712 WNWAGAMWVIZPII-UHFFFAOYSA-N 441.000 5.802 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1ccccc1C(F)(F)F 2326444487 VZNPCESWIGZSNI-UHFFFAOYSA-N 446.542 6.431 30 10 IKEE C=CCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1cccc(OCC)c1 2327771871 YEVQMWSZWGLGDT-UHFFFAOYSA-N 428.561 5.581 30 10 IKEE Cc1cccc(CSc2nnc(CCCOc3ccccc3)n2N=Cc2ccccn2)c1 2328723934 ZUUHKQUVJFJDRO-UHFFFAOYSA-N 443.576 5.168 30 10 IKEE Cc1cccc(CSc2nnc(COCc3ccccc3)n2N=Cc2cccs2)c1 2329317165 CRIROLGZNOJHST-UHFFFAOYSA-N 434.590 5.539 30 10 IKEE Clc1ccccc1CSc1nnc(COCc2ccccc2)n1N=Cc1cccnc1 2329348054 HSLPNQZCXJUVDY-UHFFFAOYSA-N 449.967 5.218 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2cccnc2)cc1C 2329395344 MURLQDMARDRBKJ-UHFFFAOYSA-N 427.577 5.364 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCc3cccc(F)c3)nnc2[C@H](C)c2ccccc2)c1 2330078643 ZYQKDCKZRUIILL-GOSISDBHSA-N 446.551 5.758 30 10 IKEE Cc1ccccc1C=Nn1c(Cc2cccs2)nnc1SCc1cccc(Cl)c1 2330431625 UYUXXGDVYJWCPG-UHFFFAOYSA-N 439.009 6.067 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H](C)c3ccccc3)c(OC)c2)cc1OC 2330736180 NIFUUSXKUGREMU-GOSISDBHSA-N 446.499 5.318 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)c1cccnc1 2330896060 HIOZOUOAXJQROE-UHFFFAOYSA-N 428.271 5.512 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2cccc(Cl)c2)cc1OC 2331116334 PIQIXWXGBHJNLZ-UHFFFAOYSA-N 435.347 6.774 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)Cc1cccs1 2331141864 UUIGFWVKKOQIFD-UHFFFAOYSA-N 442.920 5.463 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2ccc(C)cc2)nnc1-c1ccco1 2331167897 ODQBFICPXILTGG-UHFFFAOYSA-N 430.533 5.586 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)CCc1ccccc1C 2331231639 KSYMZOPSDMBAMS-UHFFFAOYSA-N 442.555 6.445 30 10 IKEE COCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccccc1OC(C)C 2331282279 YESYUTGJJXSNFR-UHFFFAOYSA-N 438.597 5.046 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(C(C)(C)C)n2N=Cc2ccccc2Cl)o1 2331392971 ARGYOKWYPUMDSC-UHFFFAOYSA-N 446.960 5.173 30 10 IKEE CC(C)(C)c1nnc(SCc2ccccc2Cl)n1N=Cc1c(F)cccc1Cl 2331397862 AQPHJQJAGRASLC-UHFFFAOYSA-N 437.371 6.196 30 10 IKEE Cc1cccc(C=Nn2c(CC(C)C)nnc2SCC(=O)Nc2cc(C)ccc2C)c1 2331421786 RMRQGEGQDBDTSN-UHFFFAOYSA-N 435.597 5.015 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(-n4cccc4)cc3)cc2)cc1F 2331451316 QPCDDOVZNHJIDK-UHFFFAOYSA-N 441.458 5.740 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)Cc1cccs1 2331553035 JQNATPZZJOBYLC-UHFFFAOYSA-N 448.874 5.733 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccccc3)c(Cl)c2)cc1C(C)C 2331575116 HKLRLPQZQOLHNW-UHFFFAOYSA-N 448.946 6.896 30 10 IKEE CC(C)c1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc2c(c1)OCCO2 2331705726 DKPJUXBBPDMRLK-UHFFFAOYSA-N 444.560 5.500 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1[N+](=O)[O-] 2331707699 QHRBQINTAHSPDE-UHFFFAOYSA-N 437.536 6.764 30 10 IKEE Cc1cc(CN(Cc2ccccc2)[C@@H](C)c2cccs2)ccc1B1OC(C)(C)C(C)(C)O1 2343691801 BJLKOMIBOVSJRV-NRFANRHFSA-N 447.453 6.119 30 10 IKEE CC1(C)OB(c2ccc(COc3cc(F)ccc3Cl)cc2Br)OC1(C)C 2377328698 FLQAJWRKUZSRGF-UHFFFAOYSA-N 441.533 5.120 30 10 IKEE N#Cc1ccc(N2C(=S)C3(CCCCC3)[C@H](N3CCCCC3)/C2=N\C2CCCCC2)cc1 15861781 SMXIDLKERQIBJL-YVAKIUAWSA-N 448.680 6.242 30 10 IKEE CC(C)Oc1ccc(C(=O)Nc2sc3c(c2C#N)CCN(Cc2ccccc2)C3)cc1 19942265 XBHLYSMYJNJKBE-UHFFFAOYSA-N 431.561 5.218 30 10 IKEE Clc1ccc(CSc2n[nH]c(N/N=C/c3cccc4ccccc34)n2)cc1Cl 20905271 ORGIJTSDDPFOHR-FOKLQQMPSA-N 428.348 6.003 30 10 IKEE O=C(/C=C\c1ccccc1)C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccccc1F 35444976 SOCGAMWZHNBVON-SSVKHQHASA-N 427.475 5.046 30 10 IKEE C=CCOC[C@H](O)CN(CCC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1 36316307 SOPNAQBCLWQXKK-HSZRJFAPSA-N 449.595 5.003 30 10 IKEE Cc1c(/N=N/c2cccc(Cl)c2Cl)c(O)n(CCc2ccccc2)c(=O)c1C#N 39870644 FCYBPOBXQSOTSH-OCEACIFDSA-N 427.291 5.699 30 10 IKEE CNC(=O)c1c(Nc2ccccc2)sc2c(-c3ccc(Cl)cc3)c(C#N)c(N)nc12 39895251 AAIVIHHYBSSTJU-UHFFFAOYSA-N 433.924 5.174 30 10 IKEE CCN(CC)c1ccc(/C=N/Nc2nc(SCc3c(C)cc(C)cc3C)n[nH]2)c(O)c1 59039196 XXCAFUXYPLOILD-ZMOGYAJESA-N 438.601 5.020 30 10 IKEE Cc1ccc(N/N=C2\C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)cc1Cl 59151572 WKYVZFDRZKNJOD-MEFGMAGPSA-N 444.749 6.318 30 10 IKEE CCCCCCCOc1cccc(NCC(=O)Nc2ccc(OCCOCC)cc2)c1 100090038 AGYRYZYSXLYKCP-UHFFFAOYSA-N 428.573 5.502 30 10 IKEE CCCCCCCCN1C(=O)/C(=C\Nc2cc(Cl)ccc2C)C(=O)N(CCCC)C1=O 100167841 KNEACJZTYDHWJP-JZJYNLBNSA-N 448.007 5.896 30 10 IKEE CCCCCCCCCCCCCCCCCCNC(=O)c1coc([C@H]2CCCNC2)n1 102453008 LIHMYUUVPGRYRR-DEOSSOPVSA-N 447.708 7.133 30 10 IKEE Cc1cc(C)c2nc(N3C(=O)C(=O)/C(=C(\O)c4ccco4)[C@H]3c3ccccc3)sc2c1 103229548 RLERMIWFBYDRCK-HWCXCKHPSA-N 430.485 5.132 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1Cl 108416642 KLCQNPUAIYTIFT-MRXNPFEDSA-N 435.911 5.238 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2cccs2)c(C)c1 169985655 LKDHVHAWGNXKOX-FQEVSTJZSA-N 439.920 5.501 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@H]2c2ccccn2)ccc1F 169993186 LOEYFUYTMOJUFV-FQEVSTJZSA-N 440.833 5.105 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc(Cl)cc1)c1cc2ccccc2o1 170057445 IEXJZQUYABUIQM-JOCHJYFZSA-N 447.849 6.008 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2sccc2C)cc1 170105858 QRKCSVDIFASRNN-LJQANCHMSA-N 439.920 5.501 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc(OC)c2)c1 170119178 IJAHJMZUMAIUQN-QHCPKHFHSA-N 435.520 5.005 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@@H]1c1ccccc1OC 170124978 JVHGJFYIZXBQID-QHCPKHFHSA-N 437.536 5.206 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@@H]1c1ccc(O)cc1 170136697 LBYFFXWSNZBHRZ-QFIPXVFZSA-N 437.536 5.077 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(OC(C)C)cc1 170152107 UOMPEHOBFPXDKS-QHCPKHFHSA-N 437.536 5.169 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2OC)[C@H]1c1ccc(C(C)C)cc1 170245173 MRLKNUHTLQGBDE-HSZRJFAPSA-N 437.536 5.206 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2cccc(O)c2)c1 170258552 ZCSFDSXVIHCCTR-DEOSSOPVSA-N 443.499 5.271 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2C)cc1C 170269982 MTJDWVVTDRQJDC-HSZRJFAPSA-N 447.556 5.542 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1c1ccc(F)cc1 170271252 JACYWILXQVUBBB-VWLOTQADSA-N 437.470 6.070 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccco2)cc1C 170287103 GGAFRNALISJSJM-NRFANRHFSA-N 437.879 5.341 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccc(C)o1 170303649 PWDKKUHDMDSONX-HXUWFJFHSA-N 441.842 5.172 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1ccc(C)o1 170305441 DFKMUHDNVHORLQ-QFIPXVFZSA-N 431.488 5.305 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1Cc1ccco1 170316317 UQIZELBMQQGAMU-OAQYLSRUSA-N 429.497 5.581 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2c[nH]c3ccccc23)cc1 170383338 FCINUFHBDNZAFC-HSZRJFAPSA-N 442.540 6.136 30 10 IKEE Cn1cc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Cl)cc2)c2ccccc21 170395618 CAJXCYKJBMIWBN-HSZRJFAPSA-N 442.902 5.615 30 10 IKEE COc1cccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 170432347 WARDARQUWGDJKM-NRFANRHFSA-N 436.533 5.129 30 10 IKEE CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(OCc3ccccc3)cc2)[C@@H]1c1cccs1 170476152 RKZDFZZVBQECOV-JOCHJYFZSA-N 433.529 5.452 30 10 IKEE C=C1CC[C@@H](O)C/C1=C/[C@H](O)[C@]1(O)CCC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]12 253387355 KXILCRGOVVVVRF-CNTBKXAYSA-N 430.673 5.807 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccccc2SC)nnc1-c1ccc2ccccc2c1 253569999 NARAVLWNTSZESA-UHFFFAOYSA-N 446.601 5.737 30 10 IKEE CCOc1ccccc1C=NNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 253683422 NHVSBZZENAFUNC-UHFFFAOYSA-N 425.496 5.204 30 10 IKEE CCOc1cc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(C)cc2)ccc1OC 526487108 VCMITGSUPQRBNM-RUZDIDTESA-N 440.499 5.331 30 10 IKEE Cc1c([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2ccccc2C#N)c2ccccc2n1C 526607595 YWQJNSKWFMONOK-HSZRJFAPSA-N 425.513 5.477 30 10 IKEE Cc1ccc(NC2=C(Sc3ccc(C)cc3)C(=O)N(c3ccccc3C#N)C2=O)cc1 526640029 HCEPOAIANPTKKR-UHFFFAOYSA-N 425.513 5.164 30 10 IKEE CCOc1cc(/C=N\n2c(CC)nnc2SCc2cccc3ccccc23)ccc1O 526821501 VUYDGJDELUKIPP-MYYYXRDXSA-N 432.549 5.273 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)c1 586006792 URJHRRWIJZZTKC-HSZRJFAPSA-N 444.579 5.040 30 10 IKEE C=CCNC(=O)Nc1ccc(C(=O)Nc2scc(-c3ccccc3)c2C(=O)OCC)cc1 586631943 FBTNUOQWIYCBIR-UHFFFAOYSA-N 449.532 5.152 30 10 IKEE C[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(C(=O)Nc2scc(C(C)(C)C)c2C#N)cc1 586636379 PAXANEGSDVFUCZ-MGPUTAFESA-N 438.597 5.870 30 10 IKEE C=CCCCCC[C@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 693684498 MTPZEANJTCVIKO-IGKIAQTJSA-N 443.676 5.661 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CC[C@@H]2CCCC[C@@H]2C1 723605974 AFYYBQTZGLLYHD-GSHUGGBRSA-N 433.390 6.443 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2ccc(Br)c(C)c2)c1 829353506 DKQPKEHMHQZLSM-IBGZPJMESA-N 431.330 5.773 30 10 IKEE CC1(C)OB(c2cccc(-c3ccc4c5c(c6c(c4c3)=CCC=C6)C=CCC=5)c2)OC1(C)C 1082180705 LQYKHRLJCKRWRH-UHFFFAOYSA-N 432.372 5.201 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)CSc2n[nH]c(NN=C(C)/C=C\c3ccccc3)n2)cc1 1083891817 MGHIRDILGNCZOX-FCXMOVQISA-N 448.596 5.550 30 10 IKEE CC(=O)C(=NNc1ccc([N+](=O)[O-])cc1)Sc1nc2ccccc2n1-c1ccccc1 1084524057 ZTCYUHKKCPSRDA-UHFFFAOYSA-N 431.477 5.040 30 10 IKEE CC/N=C1\S/C(=C/c2ccc(OCc3ccccc3)c(Br)c2)C(=O)N1CC 1084531835 JEJCMCZMRJCVID-DNLCFCFBSA-N 445.382 5.340 30 10 IKEE COc1ccccc1C(=O)ON=C1CC(C)(C)Cc2c1cc(C)n2-c1cc(C)cc(C)c1 1772728432 MOXXAELQERKTJD-UHFFFAOYSA-N 430.548 5.945 30 10 IKEE C=CCOc1ccccc1/C=C1\SC(=Nc2nc(-c3ccccc3)cs2)N(CC)C1=O 1772740417 XRAZNEOERMRGDB-POLMPROESA-N 447.585 5.999 30 10 IKEE Cc1c(C(=O)N2CCCCCC2)oc2c1C(=NNc1cccc(C(F)(F)F)c1)CCC2 1772750740 JPFIOPZCRIYTJN-UHFFFAOYSA-N 433.474 5.776 30 10 IKEE CCOC(=O)c1sc(NC(=O)c2ccc3oc(-c4cccc(C)c4)nc3c2)c(C#N)c1C 1859736281 UZNBXPPEWFCLND-UHFFFAOYSA-N 445.500 5.474 30 10 IKEE Cc1ccc(C)c(OCC(=O)Nc2cc(NC(=O)c3cccc(C#N)c3)ccc2Cl)c1 1860461701 MVGGUWAJCWZDNJ-UHFFFAOYSA-N 433.895 5.098 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1c(F)cccc1Cl)c1ccc(F)cc1F 1862420105 CHYAGIMBPZOEKI-LJQANCHMSA-N 447.796 5.129 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1Cl 1862452096 USOGYIWXLJRCEH-GOSISDBHSA-N 438.738 6.025 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(C(C)(C)C)cc1 1862461385 DINSSFRDAZUQER-LRTDBIEQSA-N 445.481 5.778 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC)cc1OC 1862484759 USGMCDYEQIWLBX-QHCPKHFHSA-N 437.536 5.171 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccc(OC)c1 1862488556 CDIQGDFSKIXKPD-BWKNWUBXSA-N 449.591 6.249 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc(C(C)C)cc2)c1 1862493485 QMPRVPUVPIIBIC-ZOSUSCCZSA-N 445.603 6.584 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc3ccccc23)ccc1F 1862505044 IWMIDELPVKENIO-RUZDIDTESA-N 443.518 6.198 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2cccc(Br)c2)cc1 1862540432 NPEVFJZATZSXQB-VLIAUNLRSA-N 442.353 5.388 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2[C@@H](C)CC)c1 1862582410 DEWMJEYIXODLDM-RBZFPXEDSA-N 448.346 5.769 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(C(F)(F)F)cc1)c1cccc(O)c1 1862596659 GKSARAVKGGJJEB-HXUWFJFHSA-N 445.437 5.322 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1ccccc1Cl 1862641406 SVMBPRIKSFBMKK-FQEVSTJZSA-N 431.891 5.256 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C2CCCCC2)cc1 1862648788 JUKLWFXIOGZIPH-RUZDIDTESA-N 425.528 6.059 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc(F)c1 1862649717 FCMOEGOCKDEQPH-XMMPIXPASA-N 447.506 5.372 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc(Cl)c1 1862675949 XFCLORVUROQSSG-UNMCSNQZSA-N 443.946 6.416 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(Cl)cc1Cl 1862689988 FAQLJBANBFYTOX-BLVKFPJESA-N 434.319 5.379 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(Cl)c(Cl)c1 1862716303 DHMRGVWYZMOVNE-HXUWFJFHSA-N 426.299 5.745 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CC(C)C)cc1 1862716979 SXNXCQUUWCDJIP-VWLOTQADSA-N 443.543 5.863 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(C(C)C)cc1 1862726664 MHCUGCFLVAILMO-RUZDIDTESA-N 425.528 6.075 30 10 IKEE CCOc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(Cl)cc3)C2=O)cc1 1862792877 VGKIQNHHVKYXLN-UHFFFAOYSA-N 443.890 5.007 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(Cl)cc3)C2=O)cc1C 1862874130 YLZBAODQTBXWQI-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccccc3Cl)C2=O)cc1C 1862881917 MJWUYBDPUWYLHT-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE C=CCN1C(=O)C(Nc2cccc(C(F)(F)F)c2)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863279266 BGECXUWUWMGFRO-UHFFFAOYSA-N 441.236 5.390 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccccc3C#N)C(=O)N(CCCCc3ccccc3)C2=O)c1 1863408269 ACCYOBKZRHCSHP-UHFFFAOYSA-N 449.554 5.390 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCOC)=C(c2ccccc2Cl)C1=O 1863777904 OUAFINWYYUVSGR-UHFFFAOYSA-N 435.008 5.187 30 10 IKEE CCc1nc2c(C)cccc2c(C(=O)Nc2c(C#N)c(-c3ccccc3F)nn2C)c1C 1866273420 HNLVNMZJINZFIG-UHFFFAOYSA-N 427.483 5.078 30 10 IKEE CCCC[C@H](NC(=O)[C@@H](c1ccc(OC)cc1)C1CCCC1)C(=O)Nc1cccc(C#N)c1 1867010153 CAAFDPVSORVDLR-LOSJGSFVSA-N 447.579 5.154 30 10 IKEE CCc1ccc(CCC(=O)Nc2c(C#N)nnn2-c2cc(C(C)C)cc(C(C)C)c2)cc1 1870150386 HKCYTFQRZQTMEL-UHFFFAOYSA-N 429.568 5.519 30 10 IKEE CC(C)OCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSc1ccccc1 1870232701 GDCWBLNDBLJISK-UHFFFAOYSA-N 448.588 5.406 30 10 IKEE CCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSCc1nc2ccccc2[nH]1 1870233448 PYRNWACODOHZBS-UHFFFAOYSA-N 444.560 5.019 30 10 IKEE C=CCn1cc(OCc2c(C)cc(C)cc2C)c(=O)cc1CNc1cccc(N(C)C)c1 1870802632 BETMCEVIKXWGCA-UHFFFAOYSA-N 431.580 5.217 30 10 IKEE C=CCN(CC=C)c1nc(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ncc1[N+](=O)[O-] 1871304004 COKIRJXMIMJQQE-UHFFFAOYSA-N 447.339 5.344 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O3)CN([C@H]1CCCC[C@@H]1C)CO2 1871351202 PJLDUADOUXZVQW-YYZQPQNXSA-N 434.492 5.250 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(C(F)(F)F)cc4)c3C)C2=O)o1 1871375740 ALOQLUFWPHSEOM-ODLFYWEKSA-N 428.362 5.751 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(CN4C[C@H](C)C[C@@H](C)C4)c(O)cc(C)c3C2=O)cc1 1871396603 OOPRDDMVEAWXSX-MQLUCGEPSA-N 448.607 5.641 30 10 IKEE Cc1c(OCCc2ccccc2)ccc2c1O/C(=C\c1cccc(Br)c1)C2=O 1871400076 FZXDTBGLFJGSQY-JCMHNJIXSA-N 435.317 5.995 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccccc4)ccc3C2=O)cc1 1871404000 FYGJHLINEFHLJN-WMWHPZEKSA-N 429.472 5.108 30 10 IKEE CC(C)OC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871404738 PMDJCPHXPSUNAX-CFRMEGHHSA-N 448.902 6.100 30 10 IKEE Cc1ccc(OCCCOc2ccc3c(c2C)O/C(=C\c2ccc4c(c2)OCO4)C3=O)cc1 1871404778 FZPDWRCYUOSNKZ-MYYYXRDXSA-N 444.483 5.496 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)N[C@H](C)c4ccccc4)ccc3C2=O)cc1 1871424669 RXLQWMLTDJGRQA-SDPDQUOZSA-N 427.500 5.121 30 10 IKEE CCc1ccc(NC(=O)[C@H](CC)Oc2ccc3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1 1871425003 CWAUVQRSOHJFKQ-XPRKOMQSSA-N 441.527 5.970 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccccc1C(C)C)c1ccccc1)S(=O)(=O)CCC 1872456655 PUHCTDRMDRIWBZ-QHCPKHFHSA-N 428.598 5.108 30 10 IKEE CCCc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 1872760398 NIBNGBXLVHWOQG-QHCPKHFHSA-N 430.573 5.897 30 10 IKEE COc1ccc(OC)c(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(C(C)C)cc3)n2)c1 1872771313 RGUYFCAXEJEOTG-AKERNLMBSA-N 432.545 5.840 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(OCC(C)C)c3)n2)c(OC)c1 1872783949 LZZMQFKOKCUGNW-HXUWFJFHSA-N 436.533 5.352 30 10 IKEE CC(=O)Oc1ccc(C(=O)[C@@H](C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1 1872785489 OAQXEYHRWHQYIW-OAQYLSRUSA-N 432.545 5.831 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)/C=C\c2ccc(Cl)cc2)n1 1872786280 GSUCYVSIGNNKJP-GNJLHFKMSA-N 443.355 6.324 30 10 IKEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)Nc3cccc(OCC)c3)cc2[nH]1 1872807465 PANSTJVOOCSPQO-UHFFFAOYSA-N 443.503 5.358 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(Cl)cc2)C(=O)N(CCCCCC)C1=O 1873138491 SSZDICOVCSEDFU-UHFFFAOYSA-N 447.063 6.731 30 10 IKEE C=CCn1c(C(=O)Nc2ccccc2C(C)C)cc2c(NCCc3ccccc3)ncnc21 1873607659 XODPQRNTKWSCSC-UHFFFAOYSA-N 439.563 5.648 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(F)c(Cl)c2)cc2c(N(CCC)CCC)ncnc21 1873666144 QIECAHICNDBUCK-UHFFFAOYSA-N 429.927 5.289 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(OC)c(Cl)c2)cc2c(N(CCC)CCC)ncnc21 1873666162 RABUXUCABNRUOJ-UHFFFAOYSA-N 441.963 5.158 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(Cl)c2C)cc2c(N3C[C@@H](C)C[C@@H](C)C3)ncnc21 1873666922 YEAQSSCROXAAAE-IYBDPMFKSA-N 437.975 5.314 30 10 IKEE O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCc2[nH]c3ccc(F)cc3c2C1 1873787093 MKBANVFSYRVJHC-UHFFFAOYSA-N 430.323 5.543 30 10 IKEE CCCSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1cccc(C)c1 1874198621 KMEPWUFZUILDBS-ZXVVBBHZSA-N 444.604 6.136 30 10 IKEE CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1c[nH]c2ccccc12 1874215915 YVUDPKGEZXVYIE-BHGWPJFGSA-N 425.945 5.213 30 10 IKEE C=CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccccc1OC 1874218105 UZLGTGDLPQLKRU-ZMOGYAJESA-N 442.972 5.296 30 10 IKEE Cc1ccc(C)c(OCc2nnc(SCCc3ccccc3)n2/N=C/c2ccco2)c1C 1874256345 WLIDYLSZVIPONW-WGOQTCKBSA-N 446.576 5.592 30 10 IKEE CCCOc1cccc(/C=N/n2c(COc3ccc(C)cc3C)nnc2SCCC)c1 1874327960 POJVJNQZCBWULX-PCLIKHOPSA-N 438.597 5.647 30 10 IKEE CCCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1cccc(Br)c1 1874343409 PUKMRHJKXQLUHZ-LPYMAVHISA-N 449.805 5.669 30 10 IKEE C=C(C)CSc1nnc(CCc2cccs2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874371733 NUTPBPAZLZEKDV-WYMPLXKRSA-N 436.528 5.694 30 10 IKEE COc1ccccc1/C=N/n1c(CCc2ccccc2)nnc1SCc1ccc(F)cc1 1874398510 JZVORAMKXPEFNQ-WPWMEQJKSA-N 446.551 5.386 30 10 IKEE Clc1ccc(CSc2nnc([C@H]3CCCO3)n2/N=C/c2ccncc2)cc1Cl 1874450636 HEBBRAHUSYSTBX-TVSCDJBNSA-N 434.352 5.006 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2C2CCCC2)cc1 1874454865 YXIZPLIBNLTXDA-OVVQPSECSA-N 448.636 6.598 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2/N=C/c2ccccc2C)cc1C 1874464291 BHMUQAZIRHKSDH-AFUMVMLFSA-N 445.548 5.076 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874483420 VCROFVPOUNIHJC-FOKLQQMPSA-N 447.923 5.451 30 10 IKEE CCCOc1cccc(/C=N/n2c(CC(C)C)nnc2SCc2ccc(F)cc2)c1 1874488021 VQLXYKCONWMYRM-MFKUBSTISA-N 426.561 5.579 30 10 IKEE Cc1cccc(CSc2nnc(CC(C)C)n2/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 1874489505 VOUGBRVAFNHEBQ-FSJBWODESA-N 443.960 5.521 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CC3)n2/N=C/c2ccc(C(F)(F)F)cc2)c1 1874519642 DOWNRYVUXJVUQS-RPPGKUMJSA-N 430.499 5.966 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CC2)cc1 1874523147 YSDAFNXVSNVJFE-WYMPLXKRSA-N 431.392 6.199 30 10 IKEE Cc1ccc(COc2ccccc2/C=N/n2c(S)nnc2COCc2ccccc2)cc1 1874562888 XRTMHBAQXLAFHD-CVKSISIWSA-N 444.560 5.053 30 10 IKEE CC(C)(C)c1ccc(OCCCc2nnc(S)n2/N=C/c2c(F)cccc2Cl)cc1 1874570837 LCBHVRSCKZEECV-AFUMVMLFSA-N 446.979 5.551 30 10 IKEE CCN(CC)C(=O)COc1c(/C=C/C(=O)c2ccccc2Cl)cc(Cl)cc1OC 1874575029 RHNQLMMGHHSZHT-ZHACJKMWSA-N 436.335 5.145 30 10 IKEE CCCN(CCC)C(=O)COc1ccccc1/C=C/C(=O)c1ccc(Cl)c(Cl)c1 1874578803 HTHHKVKTDZPQNS-ZRDIBKRKSA-N 434.363 5.917 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OCc2cccc(F)c2)c(Br)c1 1874611092 AVGNYCIMRZJWGH-PKNBQFBNSA-N 441.296 6.072 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1 1874616523 FTLDRBPXMVNLNZ-LICLKQGHSA-N 429.516 5.067 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3F)c([N+](=O)[O-])c2)cc1 1874616939 BIBTZISZFUVLGZ-NTUHNPAUSA-N 435.451 5.998 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)c1 1874617973 CQTFMSUIMYSFLA-YRNVUSSQSA-N 439.324 6.680 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(Br)cc3)c2)cc1 1874694446 CVNYCYRNPUBCRY-OVCLIPMQSA-N 435.317 6.127 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3ccc(C)c(C)c3)c2)cc1C 1874696034 FRPYQHQDCQHUBG-FMIVXFBMSA-N 430.500 5.501 30 10 IKEE CCOc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3cc(C)ccc3C)c2)cc1 1874703218 FINIGLSELUXNKC-XNTDXEJSSA-N 430.500 5.583 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OC(=O)COc1cccc(C)c1C 1874703295 IYDSOPXXGQNLEP-ACCUITESSA-N 444.527 5.809 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccccc2OC)c1 1874709263 DAMROZMJZWUTLR-FYWRMAATSA-N 444.527 6.117 30 10 IKEE Cc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(Oc4ccccc4)cc3)c2)cc1C 1874712927 WWKYWSJUXRAEJH-LDADJPATSA-N 448.518 7.211 30 10 IKEE CCCCCCC(=O)Oc1cc(/C=C/C(=O)c2ccc(OC)cc2OC)ccc1OC 1874714207 JGGNCLMRQAHFNS-GXDHUFHOSA-N 426.509 5.484 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccc(C(C)(C)C)cc2)c1 1874718749 VIGWLCWYFTXRCW-RIYZIHGNSA-N 448.946 6.761 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)[C@@H](C)c1ccccc1 1875099181 UOVUAVLPQRSIOL-GRFAERAESA-N 440.539 6.179 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc([N+](=O)[O-])c1OC(=O)c1ccncc1 1875103120 MAAYDHZEHXQJND-JXMROGBWSA-N 446.459 5.066 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)c1cccc(OC)c1 1875134114 QTNJCCLVTDLPFO-JLHYYAGUSA-N 430.500 5.826 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(OC)c(Cl)cc2OC)cc1 1875173461 ZPCGTHFZGAIENI-SDNWHVSQSA-N 430.928 6.129 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3F)c([N+](=O)[O-])c2)cc1C 1875174813 KAEGJNHGPPYKDF-DHZHZOJOSA-N 433.435 5.395 30 10 IKEE CCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc1Br 1875180188 HBWJHYPCBLWSMH-FNORWQNLSA-N 437.717 5.631 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)c1cnccn1 1875184585 HLJMTXKPTCZVMO-CMDGGOBGSA-N 442.515 5.254 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)CCCSC)c([N+](=O)[O-])c2)cc1C 1875188155 PGEPKYPOUHSRAP-VQHVLOKHSA-N 443.521 5.165 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3cc(Cl)ccc3Cl)cc2)cc1C 1875191333 IBPKBEZMHKSZDM-KPKJPENVSA-N 439.338 6.654 30 10 IKEE C=CCCCC[C@H](NC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875650176 GHKVTHVOBWOGJR-WNJJXGMVSA-N 445.603 6.212 30 10 IKEE C=C(COC(C)C)[C@@H](N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875652505 SRPOLXJPJHJQEV-IZLXSDGUSA-N 447.575 5.187 30 10 IKEE C=C([C@H](NCCC)[C@@H](O)c1cc(Br)c(Br)s1)[Si](C)(C)C 1922914513 HQQFRDMTZHEEEY-STQMWFEESA-N 441.305 5.108 30 10 IKEE N#Cc1cnc2cc(Br)c(Br)c(Br)c2c1Cl 1938593774 ISUZFBHJJUGFMM-UHFFFAOYSA-N 425.305 5.047 30 10 IKEE CC(C)[C@@H]1C[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)CN1Cc1ccccc1 1942592868 HGIGKVIIYAGFFE-WIOPSUGQSA-N 439.625 5.678 30 10 IKEE CC[C@](C#N)([C@H](C)NC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)c1cccc(OC)c1 1944143156 AGYSZMWSMWHIRP-HJPURHCSSA-N 433.549 5.022 30 10 IKEE N#Cc1cccc([C@H](CCC(=O)O)CNC(=O)OCC2c3ccccc3-c3ccccc32)c1 1951555576 PGWUBUJVPBPVKU-HXUWFJFHSA-N 440.499 5.045 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)cn1 2003371643 OURFNBRHESHNPK-QGZVFWFLSA-N 444.557 5.492 30 10 IKEE C[C@@H](N(Cc1ccccc1)c1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2004974658 NTGWDSCFXIZKLR-QGZVFWFLSA-N 428.813 5.475 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1ccc(N(CC)C(=O)OC(C)(C)C)nc1 2014234035 BFDOSKKIWCEGJC-QHCPKHFHSA-N 425.573 5.267 30 10 IKEE C=CCCCCCCCC[C@H](O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2026311868 DLMWZZNKZVJPRK-OEMFJLHTSA-N 433.633 6.153 30 10 IKEE CC1(C)C[C@H]([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)N(C(=O)OC(C)(C)C)C1 2033724615 XTXCKLJRGPIUGZ-UXHICEINSA-N 449.636 5.874 30 10 IKEE C=C1CC[C@H](O)C/C1=C/C=C1/CCC[C@]2(C)[C@@H]1CC[C@H]2[C@H](C)CC(F)(F)CC(C)(C)O 2037633231 QHPKSIWDAYRSIM-FPJFRMMYSA-N 436.627 6.979 30 10 IKEE Cc1nnc(CN(C)[C@]2(c3ccccc3Cl)CCCC(=Cc3cccs3)C2=O)o1 2053631297 GNHGWRVSQOLAEJ-QFIPXVFZSA-N 427.957 5.257 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@]1(C)CCCN1C(=O)OC(C)(C)C 2076984841 SNQBQPDKIIKCRI-YADARESESA-N 445.560 5.118 30 10 IKEE COc1ccc([C@H](C2CCC2)n2nc(C3(C)CC3)c(C=NO)c2Br)c(C)c1 2079908752 YIGSHWHHTZFDOH-SFHVURJKSA-N 432.362 5.212 30 10 IKEE COc1c2c(nc3c(-c4cccc(C(F)(F)F)c4F)c(C(F)(F)F)nn13)CCCC2 2081541176 UIZMKBOELFBWQQ-UHFFFAOYSA-N 433.327 5.460 30 10 IKEE N#C[C@@H](C(=O)CSc1ncccn1)c1nc(-c2ccccc2)c(-c2ccccc2)s1 2084273058 XTYPGLMXOJESFG-SFHVURJKSA-N 428.542 5.236 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Br)c1C)NCC 2087424313 MZUBRRVEYWBABW-MOPGFXCFSA-N 425.411 5.138 30 10 IKEE Cc1cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)ccc1Cl 2107698103 SJAGOBNCRQETBB-SFHVURJKSA-N 435.749 6.417 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCCC[C@@H]1C(F)(F)F 2144653925 JPOPDOBIFXTCHP-YJBOKZPZSA-N 447.295 6.205 30 10 IKEE CN1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)CC12CCCC2 2156880808 UUTDCZRCVLXTGN-OAQYLSRUSA-N 434.378 5.101 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H](CNc2cccc(Br)c2C#N)C1 2162332158 AJAZBRWFHAPCHS-OAHLLOKOSA-N 434.378 5.160 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(F)c(Br)cc1F 2198179804 HGUINESXZYSTAN-ROUUACIJSA-N 447.364 5.628 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)CCC12CC2 2220213478 JYABZWBNDYWCNI-XMMPIXPASA-N 445.535 5.393 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)c(Cl)c1 2247944385 OIYWTDUSRLCCQF-KGLIPLIRSA-N 436.745 5.108 30 10 IKEE CCCCCCC[C@@H](NCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248460272 HJKINZXQSAZSLH-HSZRJFAPSA-N 432.649 5.779 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)C1C[C@@H]2C[C@H](C1)CN(C(=O)OC(C)(C)C)C2 2249745022 DQDOZKVDMXVRIA-UZLDWMDBSA-N 428.617 5.021 30 10 IKEE CC(C)c1cc(Br)cc([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)c1 2280735538 FQMVPZKDDAFWEQ-FQEVSTJZSA-N 435.406 6.707 30 10 IKEE C#CCN(C[C@H](NCC)c1cc(Br)cc(C(C)(C)C)c1)C(=O)OC(C)(C)C 2288656895 KXWZIUSNXKXEEH-IBGZPJMESA-N 437.422 5.268 30 10 IKEE CCN[C@@H](C#Cc1cccc(Br)c1)C[C@@H](C)C(C)(C)NC(=O)OC(C)(C)C 2296229504 KGCISGVDVJDWPL-APWZRJJASA-N 437.422 5.108 30 10 IKEE CCC[C@H](CCNC(=O)OC(C)(C)C)CC[C@H](N)C#Cc1ccc(Br)cc1 2296304254 FDFROFWSHYZUOP-PXNSSMCTSA-N 437.422 5.239 30 10 IKEE CC(C)Oc1ccc(C(O)=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2cccc(Cl)c2)cc1 2296775488 UJHPSZJFOCZCPG-JOCHJYFZSA-N 448.906 5.149 30 10 IKEE O=C(C[C@@H]1SC(=NC2CCCCC2)N(C2CCCCC2)C1=O)Nc1ccc(F)cc1 2297533884 YKRFKKVQHCNZTG-FQEVSTJZSA-N 431.577 5.120 30 10 IKEE C[C@H](c1cccs1)N(Cc1ccccc1)Cc1nc(B2OC(C)(C)C(C)(C)O2)cs1 2303318328 HFFPOZUHELSCJT-QGZVFWFLSA-N 440.443 5.267 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@@H]2C[C@H]1C[C@H]2NC(=O)OC(C)(C)C 2308987620 XYKMGLHAKOKUNN-PLGVSFSBSA-N 441.572 5.322 30 10 IKEE CCC(=NOCc1cc(=O)c(OCc2ccccc2)cn1C)c1ccc(C(C)(C)C)cc1 2318633296 SOXQYTJHLIXTSH-UHFFFAOYSA-N 432.564 5.593 30 10 IKEE COc1ccc(C=C2Oc3c(cc4c(c3C)OCN([C@H]3CCCC[C@@H]3C)C4)C2=O)c(OC)c1 2322391629 GTVRCVOSKIMBGP-AOMKIAJQSA-N 449.547 5.359 30 10 IKEE COc1ccc([C@H](C)N2COc3c(cc4c(c3C)OC(=Cc3ccco3)C4=O)C2)cc1OC 2322456906 ORDRQVOEHAOQBJ-INIZCTEOSA-N 447.487 5.135 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1c(F)cccc1Cl)c1ccc([N+](=O)[O-])cc1 2322474675 IHMVUUOMSICMJP-UHFFFAOYSA-N 446.261 6.516 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(Cl)cc2)c1OCc1ccc(Cl)c(Cl)c1 2322542256 LNFSTQSCZHQEFZ-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE COC(=O)c1ccc(COc2ccc3ccccc3c2C=CC(=O)c2ccc(C)cc2C)o1 2322572586 HSGHRSUWXQBLMN-UHFFFAOYSA-N 440.495 6.311 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(C)c2)cc1 2322595657 ZUWVAODYOFRSII-UHFFFAOYSA-N 433.935 6.179 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2cccc(Cl)c2)cc1 2322612739 OURRNRVIHCSDNL-UHFFFAOYSA-N 436.935 6.613 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1 2322646503 FAWATLOZZWNTPS-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OCc1c(Cl)cccc1Cl 2323153216 MWORZQVMCPVQFB-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O)c1cccc(F)c1 2323289089 QKSMMIDYTIYSDU-UHFFFAOYSA-N 429.230 5.968 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2cccc(OCc3cc(C)ccc3C)c2)cc1Cl 2323306783 KBHZLAVZJNBCIM-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OC(=O)C=Cc3ccc(C(C)C)cc3)cc(C)c2C1=O 2323510736 JIAMADPUPWQTJY-UHFFFAOYSA-N 444.552 6.723 30 10 IKEE Cc1c(OC(=O)C=Cc2ccc([N+](=O)[O-])cc2)ccc2c1OC(=Cc1ccccc1)C2=O 2323597624 KYLLDHRZONLUBM-UHFFFAOYSA-N 427.412 5.138 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(C)cc2)C3=O)cc1 2323828878 CJQOLOFRFCAAJU-UHFFFAOYSA-N 428.484 5.928 30 10 IKEE Cc1ccc(COc2ccc(C=CC(=O)c3ccc(Cl)c(Cl)c3)cc2[N+](=O)[O-])cc1 2323888985 VOBJHWLYFJOLEE-UHFFFAOYSA-N 442.298 6.685 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(C)c2)C3=O)c1 2323895950 RZOMEHNABNRGLW-UHFFFAOYSA-N 442.467 5.454 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(OC)c1OCc1ccccc1F 2324241267 IYNJZRBZEYXSII-UHFFFAOYSA-N 428.406 5.596 30 10 IKEE Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccc(C)o2)C3=O)c(C)c1 2324332742 PFCDASFYUXJDPF-LJQANCHMSA-N 445.515 5.844 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1OCc1ccccc1 2324349435 VQGBFLIOMODJEO-UHFFFAOYSA-N 448.990 7.447 30 10 IKEE CCc1cccc(CC)c1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1cccs1)C2=O 2324381094 IGLFPLNZLSRERT-INIZCTEOSA-N 447.556 5.895 30 10 IKEE COc1ccccc1-c1csc([C@H](C#N)C(=O)C=Cc2ccc(Cl)cc2Cl)n1 2324455599 SJSXIDFVWRQWLO-MRXNPFEDSA-N 429.328 6.015 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1 2324478273 PKYZPPILNJEXIP-KRWDZBQOSA-N 445.490 5.719 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCCCCOc4cccc(C)c4)cc(C)c3C2=O)cc1 2324574622 CBJFPOCWYHCHCJ-UHFFFAOYSA-N 442.555 6.720 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)c2ccccc12 2324683561 XUTZEGKLTNDXTF-UHFFFAOYSA-N 439.467 6.232 30 10 IKEE Cc1cc(OCCOc2ccc(C(C)(C)C)cc2)cc2c1C(=O)C(=Cc1cccc(F)c1)O2 2324690372 POANIJUDAUJXFU-UHFFFAOYSA-N 446.518 6.506 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2c(c1)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2325196352 ZWCGAVZEAFAMHF-UHFFFAOYSA-N 448.346 5.637 30 10 IKEE Cc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(Cl)cc1Cl 2325645499 CFKBQDARKGJMTI-UHFFFAOYSA-N 429.735 5.860 30 10 IKEE CCc1cccc(CC)c1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc(C)o1)C2=O 2325719187 MGBYLHCHJJWUQI-UHFFFAOYSA-N 445.515 5.655 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OCC(=O)Nc4cc(C)cc(C)c4)c3C)C2=O)c1 2325721904 BKGSHGGLVAFIJZ-UHFFFAOYSA-N 427.500 5.554 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2cc(C=CC(=O)c3ccc(C)cc3)ccc2OC)c1 2325737584 XXDVVJUEBAUERD-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cccc(OC(=O)COc2ccc(C)c(C)c2)c1 2325757556 NBANMAJOIBVSBC-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE CCCSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1ccccc1O 2325884086 CMVHGBGYYBHGKZ-UHFFFAOYSA-N 446.576 5.533 30 10 IKEE FC(F)(F)c1cccc(C=Nn2cnnc2SCc2ccc(Cl)c(Cl)c2)c1 2326486185 JNVFHRUAPZBNKY-UHFFFAOYSA-N 431.270 5.778 30 10 IKEE CCCSc1nnc(COc2ccccc2OCC)n1N=Cc1c(F)cccc1Cl 2326848601 RWSYZYCVXKQVGE-UHFFFAOYSA-N 448.951 5.433 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1ccc(F)cc1F 2327202787 GUTUEABVAADOAM-UHFFFAOYSA-N 428.508 5.037 30 10 IKEE CCCOc1cccc(C=Nn2c(CCc3ccc(Cl)cc3)nnc2SCCC)c1 2328075553 HJMGSWKGAIXLJP-UHFFFAOYSA-N 443.016 5.890 30 10 IKEE Cc1cccc(OCc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccc[nH]2)c1C 2328825028 FSXKKOLMACJSJW-UHFFFAOYSA-N 435.528 5.116 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccc(C)c(C)c3)n2N=Cc2cccs2)cc1 2328922161 UDCJZLRMKZWTPV-UHFFFAOYSA-N 446.645 6.225 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(Cl)cc3)n2N=Cc2ccccc2O)cc1 2329068769 WMEHYBGLFSLBQC-UHFFFAOYSA-N 448.979 5.711 30 10 IKEE CCSc1nnc(CCc2ccccc2C)n1N=Cc1ccc(OC(C)C)c(OC)c1 2329481566 RESTXNFMICXMIY-UHFFFAOYSA-N 438.597 5.162 30 10 IKEE CCCNC(=O)CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1ccc(C(C)C)cc1 2330085932 NYBQNNUZWBCDEE-IBGZPJMESA-N 449.624 5.054 30 10 IKEE O=[N+]([O-])c1cccc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccccc2)c1 2330271373 RJVNNVXHIPWCHX-UHFFFAOYSA-N 435.553 5.484 30 10 IKEE C[C@@H](C(=O)Oc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1)c1ccccc1 2330595310 SBXDWXRVHLBDJS-JOCHJYFZSA-N 432.519 6.959 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(OC)c(OC(=O)[C@@H](C)c3ccccc3)c(OC)c2)c1 2330778081 WEBALBJOHXEIAQ-SFHVURJKSA-N 446.499 5.318 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2[C@H]2CCCO2)cc1 2330910338 NTWFNZBDDKTDFD-OAQYLSRUSA-N 438.572 5.741 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCSC)c(Br)c2)cc1 2330970173 DNTHBFRUBRMVEP-UHFFFAOYSA-N 449.366 5.402 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3cccc(OC)c3)c(OC)c2)cc1 2330992346 JNLBPNCNGDYPPF-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE Clc1ccc(CSc2nnc([C@H]3CCCO3)n2N=Cc2ccncc2)c(Cl)c1 2330999212 RCLHPPUTTBPCKM-QGZVFWFLSA-N 434.352 5.006 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)c2ccc(F)cc2F)c(Cl)c1 2331063781 VWIMRRICCNHXQC-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE Fc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CCCC2)c(F)c1 2331084450 CGQMLVDUIJBLQA-UHFFFAOYSA-N 448.542 6.542 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C(F)(F)F)cc1 2331138243 VDOKFDFJIIZORU-UHFFFAOYSA-N 426.851 5.133 30 10 IKEE Fc1cccc(Cl)c1C=Nn1c(SCc2ccc(Cl)cc2)nnc1-c1ccco1 2331224759 KCCUSQULZAFGIH-UHFFFAOYSA-N 447.322 6.159 30 10 IKEE CCc1ccc(C=Nn2c(CCOC)nnc2SCc2ccc(Cl)cc2Cl)cc1 2331308402 YIWLOITVHYZVMW-UHFFFAOYSA-N 449.407 5.511 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H](C)c3ccccc3)c(OC)c2)cc1 2331311899 KIMBAFIRBSZDHR-HXUWFJFHSA-N 444.527 6.089 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)c1cccc(F)c1 2331346823 JIYAFINPJSRTAI-UHFFFAOYSA-N 448.465 6.126 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1sccc1C 2331371899 PNYXPTHLCBQSNH-UHFFFAOYSA-N 436.529 5.888 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccc2c(c1)OCCO2 2331397655 TYJMOIQDSZRVNP-UHFFFAOYSA-N 444.527 5.476 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C(C)(C)C)c1 2331402726 KJJWIAFLEQXEMU-UHFFFAOYSA-N 444.604 6.302 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)c1ccccc1C 2331489157 CHGPPONXOLQCNN-UHFFFAOYSA-N 448.946 6.896 30 10 IKEE C=CCSc1nnc(CCC)n1N=Cc1cccc(OC)c1OCc1cccc(C)c1 2331657409 CUKUJFIDRLQQBV-UHFFFAOYSA-N 436.581 5.287 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccccc2C)c([N+](=O)[O-])c1 2331665400 UYTIWBLRZMRKBL-UHFFFAOYSA-N 445.471 5.644 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc(Cl)c1OC(=O)CCOC 2331665898 QBXKZDSDKQXDAF-UHFFFAOYSA-N 446.927 5.202 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCC(=O)Nc3ccccc3F)nnc2C(C)C)cc1 2331673682 RNLMGWQRAMOSPV-UHFFFAOYSA-N 439.560 5.277 30 10 IKEE CCOc1cc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C(C)C)ccc1O 2331707098 IKOBBWILILDGAA-UHFFFAOYSA-N 430.961 5.334 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1cccc2ccccc12 2331715210 RPANGGPVGRFROO-UHFFFAOYSA-N 436.507 6.581 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)C(C)(C)C)c(Br)c2)c(OC)c1 2331723867 HKEWRZTYBKXAER-UHFFFAOYSA-N 447.325 5.314 30 10 IKEE N#Cc1ccc(OCc2cc(I)ccc2Br)cc1Cl 2341777843 CWDRLMNKKNYBIV-UHFFFAOYSA-N 448.485 5.158 30 10 IKEE C[C@@](C#N)(Cc1ccc(I)c(Br)c1)c1ccccc1 2349898697 OWRDXRDIZAWLGZ-INIZCTEOSA-N 426.095 5.078 30 10 IKEE CN(Cc1ccc(Br)s1)c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2365050756 RSJUGZZDPOJATD-ZHACJKMWSA-N 435.196 5.187 30 10 IKEE COc1ncc(Br)c(C)c1[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2368190529 QFGAGXNQQAJVGP-INIZCTEOSA-N 438.366 5.296 30 10 IKEE CCc1ccc(-n2c(=S)sc3c(=O)n(-c4ccccc4)c(SCC#N)nc32)cc1 3026700 IJYPYRQWYYEQEV-UHFFFAOYSA-N 436.587 5.145 30 10 IKEE COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2cccc(C)c2)cc1OC 28052523 TWCIAMNXLKVWJP-UUOWRZLLSA-N 430.504 5.267 30 10 IKEE Cc1ccc(/N=C2/NC(=O)S/C2=C\c2ccc(-c3c(Cl)cccc3Cl)o2)cc1 33568407 IPARMFMPNDLNCG-WQRHYEAKSA-N 429.328 7.089 30 10 IKEE COc1ccccc1/C=C1/CN(Cc2ccccc2)C/C(=C/c2ccccc2OC)C1=O 33696098 QETQTKNXDBHZSW-YFJQDTPYSA-N 425.528 5.256 30 10 IKEE C=CCOc1cccc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2CCCC)c1 39913236 XVFUMHDJHJLNLK-JOCHJYFZSA-N 437.923 5.665 30 10 IKEE C[C@H]1CCc2c(sc(NC(=S)NC(=O)CCCOc3ccc(Cl)cc3)c2C#N)C1 40901528 LXTKSAWBXBKDQP-ZDUSSCGKSA-N 448.013 5.070 30 10 IKEE CCCCCCCCCCCCCC(=O)Nc1ccccc1C(=O)NCc1ccco1 100442028 PNDPSQRIKQDVRI-UHFFFAOYSA-N 426.601 6.849 30 10 IKEE CCCCCCCCCn1c([C@@H]2CC(=O)N(c3ccccc3CC)C2)nc2ccccc21 101322143 WFZJKHRWXPVYHJ-HSZRJFAPSA-N 431.624 6.870 30 10 IKEE COc1ccccc1CN1Cc2cc3cc(C)c(C)cc3nc2S/C1=N\C[C@H]1CCCO1 101493262 BSASZMQBWNRELJ-BDCRVHBXSA-N 447.604 5.503 30 10 IKEE CCCCCCCCCCCn1c(CCCNC(=O)c2ccncc2)nc2ccccc21 102109667 SSCQFSCEWFGWPQ-UHFFFAOYSA-N 434.628 6.325 30 10 IKEE CCCCCCCCn1c(CCCCCNC(=O)CCc2ccccc2)nc2ccccc21 102174008 PGSFAMIDRJGPMY-UHFFFAOYSA-N 447.667 6.859 30 10 IKEE CCCCCCCCCCCCCCCCn1c(-c2ccc(OC)cc2)nc2ccccc21 102196269 KPCNVAVIHAKKSK-UHFFFAOYSA-N 448.695 9.193 30 10 IKEE CCCCCCCCCCCn1c([C@@H]2CC(=O)N(c3ccccc3)C2)nc2ccccc21 102198818 ZNDRCYDTSAEPHB-HSZRJFAPSA-N 431.624 7.088 30 10 IKEE COc1ccc(/N=C2\NC(=O)S\C2=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 105909629 WSPFCNXSHKHCGF-XDHOZWIPSA-N 444.434 6.502 30 10 IKEE COC(=O)c1ccc(COc2ccc3c(c2)O/C(=C/c2ccc(C(C)C)cc2)C3=O)cc1 110529214 OLBHHHLXVZRLIG-AFUMVMLFSA-N 428.484 5.792 30 10 IKEE CCCCCCCCCCCCCCCCSC[C@H](COC)COP(=O)(O)O 141285630 RUXQRWBYYVDVFK-OAQYLSRUSA-N 440.627 6.573 30 10 IKEE C=CCn1c(C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)c(C)c2cc(C(C)C)ccc21 169874189 CKAPGLOZYKIBKF-UHFFFAOYSA-N 445.588 6.644 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2cccs2)cc1 169921284 XXWNKEHOBDZEDN-HXUWFJFHSA-N 439.920 5.189 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2ccccc2C)cc1 169926531 ZJPWBZWPMBYZAS-AREMUKBSSA-N 449.506 5.940 30 10 IKEE COc1ccc(/C=N\Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1Br 169940129 NMSXULZKUYFZSU-FBHDLOMBSA-N 448.342 5.044 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccccc2OC)cc1 169944294 NYJLMLCCKZHIEL-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(C)c1 169970543 BYBWQLPLBCXNFX-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@H]1c1cccnc1)c1cc2ccccc2o1 170004767 OADCOLNIQPUTMB-NRFANRHFSA-N 448.837 5.403 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccccc2)cc1C 170047845 RZTFQESKRFEZDW-XMMPIXPASA-N 426.516 5.152 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2ccccc2)c(C)c1 170051827 NWRRPYIVMKJFHC-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccc(C(C)C)cc1 170065927 KHBRPTKESIRENW-XMMPIXPASA-N 446.547 5.295 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@H]2c2ccccc2C)c1 170086338 MHFWDZODHVMJSO-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2C)cc1 170089247 FAWFFLOMNRXBTR-QHCPKHFHSA-N 447.918 5.830 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1ccc(OC)cc1 170116748 MXYKEZPUQIDKKT-XMMPIXPASA-N 449.591 6.070 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@H]1c1ccccc1OC 170124917 DRQNDRGPINMZRR-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccc(OCC(C)C)c1 170219003 YOOXFAVEUAITPL-HSZRJFAPSA-N 433.504 5.456 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@@H]1c1cccc2ccccc12 170220841 BRYWBVXKTCLOMS-QHCPKHFHSA-N 449.934 5.880 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCCC)c2)[C@H]1c1ccc(F)cc1 170243721 BZLGBHBIBDZIMR-JOCHJYFZSA-N 425.500 5.383 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)c(C)c2)[C@H]1c1ccc(F)cc1 170243928 KCGAREOQQSWAQS-HSZRJFAPSA-N 439.527 5.691 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2Cc2cccs2)o1 170298086 QDZJLBVYQSMKAT-GOSISDBHSA-N 448.327 5.735 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2OCC)[C@H]1c1ccc(C)o1 170309899 HWMFPHSQAGUVFN-JOCHJYFZSA-N 441.524 5.154 30 10 IKEE CC(=O)Oc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(C)c(C)c2)cc1 170407259 RHSVZQVENPJMQB-QFIPXVFZSA-N 447.512 5.073 30 10 IKEE Cc1cc(C)c2nc(-n3ncc(C#N)c3Nc3nc4cc(Cl)ccc4o3)cc(C)c2c1 170547194 PWJBPAVLWNIZQN-UHFFFAOYSA-N 428.883 5.756 30 10 IKEE CON=C(C)[C@@H]1C(=NOC)C[C@@H]2[C@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C 254627424 KLCZPBNZZJGNRW-XOMZENEJSA-N 432.605 5.212 30 10 IKEE Clc1ccc(/C=C\C=Nc2ccc3oc(-c4ccc5ccccc5c4)nc3c2)c(Cl)c1 254743212 SUJMRLHEGFTHJI-PNFZLKGRSA-N 443.333 8.371 30 10 IKEE COc1cc(/C=C2/SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc(OC)c1OC 254749829 VXKPTNQQVWLWBT-SBECIKHMSA-N 446.528 5.521 30 10 IKEE CCCCCc1ccc(C(C)=NN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 254762854 BOZPRLZVGHUVLP-UHFFFAOYSA-N 439.647 6.551 30 10 IKEE C=CCN(C[C@H](Cc1ccc(C)c(Br)c1)NCCC)C(=O)OC(C)(C)C 407944380 VIWAAQGNMFYOIE-SFHVURJKSA-N 425.411 5.091 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(OC)cc2)cc1 526486965 TWAAVHOWGTZTKO-DEOSSOPVSA-N 426.472 5.023 30 10 IKEE CC(=O)Oc1ccc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526488068 DJXVTCKQEQDLRK-HSZRJFAPSA-N 444.874 5.194 30 10 IKEE CC(C)COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccccn2)c1 526603776 CHJXPXMAVYRDST-DEOSSOPVSA-N 425.488 5.045 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(O)c(Cl)c2)cc1 526773192 PLIPMUVIQJBPGY-QHCPKHFHSA-N 447.918 5.952 30 10 IKEE CCOc1cccc(/C=N\n2c(CC)nnc2SCc2ccc(Cl)cc2)c1OC 526807381 YNCPLSMDNUYRRY-QRVIBDJDSA-N 430.961 5.076 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccc(Cl)cc2)c1 526819943 POCIPOATJQNSBI-YUMHPJSZSA-N 447.007 6.314 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1ccc(C(F)(F)F)cc1 526826081 SSVHTTLSMGEBLZ-ZMFRSBBQSA-N 436.478 5.953 30 10 IKEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1cccc(OCC)c1 526829460 JYYXFZXVFMYHKS-HAHDFKILSA-N 439.541 5.102 30 10 IKEE CC(C)(C)c1ccc(NC(=O)N[C@@H]2CCN[C@@H](C(=O)/C=C/c3ccc(Cl)cc3)C2)cc1 586092094 VDPFAESXDIXKHV-WKKNCRQQSA-N 439.987 5.162 30 10 IKEE Cc1ccc2c(c1)[C@](C#N)(N(C(=O)OC(C)(C)C)c1ccc(Br)cc1)CC2 698445513 OVQZKADQTQRNDD-QFIPXVFZSA-N 427.342 5.864 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]([C@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 698885588 RDCITGJZWPNARS-MWTRTKDXSA-N 433.524 5.106 30 10 IKEE C=C1CCC(C[C@H](NCCC)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 724567469 ABNHYCGPKFRHQF-LOSJGSFVSA-N 443.676 5.516 30 10 IKEE CCCCCCCC/C=C/CCCCCCCC(=O)[C@@](O)(CC(=O)O)C[N+](C)(C)C 888085253 VLILKHJVUOOJEJ-ZOGNMOHXSA-O 426.662 5.505 30 10 IKEE Clc1ccc(COc2ccccc2C=NNc2nc(SC3CCCCC3)n[nH]2)cc1 1084454832 NESHINKEWWQKJH-UHFFFAOYSA-N 441.988 5.908 30 10 IKEE O=C1/C(=C/C=C/c2ccccc2)S/C(=N\N=C/c2ccccc2O)N1Cc1ccco1 1554646894 WFGQLJVTJNJWQU-JCSJIKDNSA-N 429.501 5.048 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(C)cc2)SC1=Nc1cccnc1 1772731952 SMZBIRHHPNAROU-VYYDMKJGSA-N 441.556 5.759 30 10 IKEE O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=Nc2ccncc2Cl)N1c1ccccc1 1772737710 QGTYZQSWVWICPN-MPZUNYIRSA-N 436.880 5.452 30 10 IKEE N#Cc1ccccc1NC(=O)Oc1ccc(CNC(=O)c2ccccc2C(F)(F)F)cc1 1858909700 XPJPECQYPLSPCA-UHFFFAOYSA-N 439.393 5.118 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccccc1F)c1ccc(Cl)cc1Cl 1862381472 ATXRXTKZJBRWIJ-IBGZPJMESA-N 446.261 5.504 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccccc2Cl)cc1C 1862403007 MMIPPTWBSRAYHN-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)cc1 1862414134 SINMSUBNGBFOHI-LDLFBNOTSA-N 439.502 5.684 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2cccc(O)c2)cc1 1862444249 YXPYQKRPPISBEB-QHCPKHFHSA-N 447.918 5.175 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@@H]2c2ccccc2F)cc1 1862473793 GJZHPLHXOKWRIM-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccc(N(C)C)cc2)cc1 1862476602 CBOAFZNHHHCVON-RUZDIDTESA-N 446.591 5.752 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)cc1 1862492838 BDUXAKRQOVSTBP-HFRGRHLUSA-N 447.575 5.859 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(C(C)(C)C)cc2)c1 1862495503 ZQNNJMRPXRZVTI-DEOSSOPVSA-N 431.576 6.122 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccccc2C)c1 1862507235 HCUTWBKGZBWPGA-XMMPIXPASA-N 429.491 5.529 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2cccc(F)c2)cc1 1862530093 NENLMZWFFFDOGR-DEOSSOPVSA-N 433.523 5.857 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2ccc(C)cc2)cc1 1862533728 OFQGRLJNBFYYLA-VWLOTQADSA-N 425.528 5.644 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(OC)cc1 1862536243 URDVYIHQQUSVDR-VWLOTQADSA-N 449.591 6.196 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862592703 IOKNCKRNDMBGPB-UWSIMGETSA-N 447.575 5.847 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1cccc(Cl)c1 1862618012 NASXXRWPQGGQJF-JOCHJYFZSA-N 439.983 6.262 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 1862664151 WWEARIUVGDWKKX-VWLOTQADSA-N 440.543 5.546 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2cccc(OC)c2)c1 1862703691 XKHPEBQYYRBPFN-XDHUDOTRSA-N 443.499 5.043 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(F)cc1 1862724891 WOULSNYSGHUTTH-XMMPIXPASA-N 445.490 5.108 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C)cc2)=C(c2ccc(F)cc2F)C1=O 1863312631 CRTRSUBFYIGLOS-UHFFFAOYSA-N 426.507 5.826 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCC)=C(c2ccc(OCCC)cc2)C1=O 1863683615 WFDAXRNIQKVXAB-UHFFFAOYSA-N 428.617 5.696 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1866029692 BMOLDPWWVSMOLC-UHFFFAOYSA-N 449.592 7.703 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)c2c(C)c3ccc(C)cc3oc2=O)c1 1866294289 ABLSPMNAQLXBHX-UHFFFAOYSA-N 436.467 5.073 30 10 IKEE CCCCCCCCn1cc(OCC(=O)N(CCC)CCC)c(=O)cc1CSCC 1870269307 IXRNZLSMIMJMFH-UHFFFAOYSA-N 438.678 5.489 30 10 IKEE CCCCCCCCCCn1cc(OCCO)c(=O)cc1CNc1ccc2cc[nH]c2c1 1870791812 OFEBDZOVGHEYLT-UHFFFAOYSA-N 439.600 5.454 30 10 IKEE CCCCCCCOc1cn(CCN(CC)CC)c(CNc2cccc(Cl)c2)cc1=O 1870837427 FSWJTUXNQXUEQK-UHFFFAOYSA-N 448.051 5.805 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN([C@@H]3CCCC[C@@H]3C)C4)C2=O)cc1 1871355461 AIIPKHKDYSTFDI-MDGLVFJNSA-N 433.548 5.741 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc(C)c2C1=O 1871373115 DCBUKBQQZKJBEA-FBHDLOMBSA-N 449.846 5.700 30 10 IKEE Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2sccc2C)C3=O)c(C)c1 1871401831 ACYKHXPJBLWCDJ-FPJJECCMSA-N 447.556 6.004 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccco1)C2=O 1871402806 NCILLIFZRKAQCJ-VVRYKASASA-N 431.488 5.481 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3cc(OCc4nc(O)c5ccccc5n4)ccc3C2=O)cc1 1871431086 UCWARASXLVGRBK-CFRMEGHHSA-N 438.483 5.654 30 10 IKEE CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1C)O/C(=C\c1c(Cl)cccc1Cl)C2=O 1871435224 ZLPMOPOOXHFDRP-BDBXIWDTSA-N 449.330 6.029 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OCC(=O)Nc3ccc(F)c(F)c3)c2C)C1=O 1871442973 ICMPEMUUIYRQMM-JJFYIABZSA-N 435.426 5.215 30 10 IKEE C=CCN([C@H](CC)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1c(C)cc(C)cc1C 1872451052 RQFMTUWVBBMYEX-HSZRJFAPSA-N 442.625 5.329 30 10 IKEE Cc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 1872769222 MVLBZQOEEANQEQ-KRWDZBQOSA-N 445.371 6.461 30 10 IKEE C=CCN(CC=C)C(=O)c1ccc2nc(SCCCCOc3ccccc3C)[nH]c2c1 1872816231 BNEQBIILZNKYPW-UHFFFAOYSA-N 435.593 5.637 30 10 IKEE COc1ccc(OC(F)F)cc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1873455677 AFVJNRBJPPPCHT-UHFFFAOYSA-N 429.263 5.587 30 10 IKEE C=CCN(CC=C)c1nc(Nc2cccc(OCCC)c2)c2cnn(-c3ccccc3)c2n1 1873481845 SRWIBJSSNCPEPC-UHFFFAOYSA-N 440.551 5.526 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C)c2C)cc2c(NCCc3ccc(C)cc3)ncnc21 1873617066 VZPIYPHDYXRFJQ-UHFFFAOYSA-N 439.563 5.449 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(N3CCCC3)cc1)n2C 1873619438 AFQBKPJBHCATPO-UHFFFAOYSA-N 448.615 5.593 30 10 IKEE CCCCCCCCCCNC(=O)Cc1c(C)c2cc3c(C)coc3c(C)c2oc1=O 1873936418 GLSGQEMUTNXRHQ-UHFFFAOYSA-N 425.569 6.264 30 10 IKEE C=CCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1/N=C/c1cccs1 1874196565 QNWQKQXRPAHUMC-OEAKJJBVSA-N 442.610 5.385 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(COc2ccc(Cl)cc2Cl)nnc1SC 1874203527 GGOVQTBKCLIIOO-FSJBWODESA-N 449.363 5.333 30 10 IKEE C=CCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1cccc(Cl)c1 1874232699 QDTRULZBDSXESA-YZSQISJMSA-N 432.980 6.030 30 10 IKEE CCCSc1nnc(COc2c(C)cccc2C)n1/N=C/c1cccc2ccccc12 1874300070 GVYJZOKEORXMAP-WGOQTCKBSA-N 430.577 6.011 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2C)c(C)c1 1874327753 ZEQMPBNUVBCKAG-JVWAILMASA-N 442.588 5.957 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccccc3)n2/N=C/c2cccc(F)c2)cc1 1874382204 CZEGWOCVTRVLOX-CVKSISIWSA-N 432.524 5.479 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCc3ccc(F)cc3)nnc2[C@@H](C)c2ccccc2)c1 1874394720 UIHJXQROQNFBED-FLOSOGMCSA-N 446.551 5.758 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2[C@@H](C)c2ccccc2)cc1 1874401767 VNEYAATXSGLOBU-FQNOVECQSA-N 447.007 6.566 30 10 IKEE O=[N+]([O-])c1cccc(/C=N/n2c(Cc3cccs3)nnc2SCCc2ccccc2)c1 1874413280 LHTBGUPRUIGQNH-XQNSMLJCSA-N 449.561 5.056 30 10 IKEE Fc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2c[nH]c3ccccc23)cc1 1874416541 VKLRQVUQZAEMNP-LQKURTRISA-N 441.535 5.664 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2cccc(Cl)c2)cc1 1874455376 OYGVKPRPNUHYFB-YDZHTSKRSA-N 441.944 5.672 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SCc3ccccc3)nnc2C2CCCC2)cc1 1874456043 XUTVXSKWDUKMAK-ZXVVBBHZSA-N 448.636 6.679 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2ccc(Cl)cc2)c1 1874487359 LDEPUCZDVDUYBF-ZMOGYAJESA-N 441.988 5.051 30 10 IKEE O=C(O)c1ccccc1/C=N/n1c(SCc2ccccc2Cl)nnc1C1CCC1 1874495852 IXNXKPJAZVFVKF-FSJBWODESA-N 426.929 5.072 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(C3CC3)n2/N=C/c2cccc3ccccc23)o1 1874519095 BCWHWUKYOXKHSG-AFUMVMLFSA-N 446.532 5.253 30 10 IKEE C(=N/n1c(SCc2ccccc2)nnc1C1CC1)\c1cccc(OCc2ccccc2)c1 1874519443 SWAHQXAGAZZCHG-WPWMEQJKSA-N 440.572 5.909 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C2CC2)cc1O 1874523481 RRRNSIFUGFDWAB-AUEPDCJTSA-N 449.363 5.351 30 10 IKEE COc1ccc(/C=N/n2c(C)nnc2SCc2ccc(Cl)c(Cl)c2)cc1OC 1874535459 IIGFYLKYMIOMRH-LSHDLFTRSA-N 437.352 5.085 30 10 IKEE Cc1cccc(COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(Br)cc2)c1 1874574626 WXPZRAGKVBASSD-YRNVUSSQSA-N 441.752 6.886 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cc(Br)cc(OC)c2OC)c1 1874587209 AKNGSIZUWVDPSM-VQHVLOKHSA-N 435.314 5.160 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccccc2Cl)c1)c1cccc(Br)c1 1874595018 PPSVSRCMWLLLNH-VAWYXSNFSA-N 427.725 6.578 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OCc1ccc(Cl)cc1Cl 1874596427 VNQVMIQTFKJLQV-YCRREMRBSA-N 445.317 6.925 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1cccc(Br)c1 1874609815 LLDMQAHMAVBCFZ-MDWZMJQESA-N 438.277 5.832 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C 1874614601 UMMSHPBHENTPFD-LFYBBSHMSA-N 449.934 5.879 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(OC)c1OCc1ccc(C)cc1 1874625049 JNSAKANYFIXNRI-SFQUDFHCSA-N 440.583 7.331 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OC(=O)COc1cccc(C)c1C 1874698932 VNPQUPBWMIAICA-WYMLVPIESA-N 446.499 5.201 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cccc(Oc4ccccc4)c3)c2)c(C)c1 1874701998 FPBLNXXQGLYGJP-BMRADRMJSA-N 448.518 7.211 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OC(=O)c1ccc(C)c([N+](=O)[O-])c1 1874710095 SQKRRNNIJYTRSH-NYYWCZLTSA-N 435.407 5.166 30 10 IKEE Cc1nc2ccc(C(=O)Oc3cccc(/C=C/C(=O)c4ccc(F)c(F)c4)c3)cc2nc1C 1874710682 HVILPVLWHXYXSW-IZZDOVSWSA-N 444.437 5.640 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OC(=O)COc1cccc(C)c1C 1874713569 DBPGXSZASUSGPU-JLHYYAGUSA-N 444.527 5.809 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1Cl)c1cccc(Cl)c1 1875121091 YTOOQOHGUKPMSK-XBXARRHUSA-N 433.237 6.387 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OC(=O)CCc1ccccc1C 1875127617 OWWVSGFZFQRFBE-WYMLVPIESA-N 434.919 6.091 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)CCCOc1cccc(C)c1 1875129075 JVZWKDAHIRLSNP-FYWRMAATSA-N 430.500 5.664 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccccc3CC)cc2)cc1 1875137449 NACODXMSAKSIFJ-WOJGMQOQSA-N 444.527 5.918 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)c(C)c3)c([N+](=O)[O-])c2)c1 1875139345 DJAQEENZHYVVLJ-JXMROGBWSA-N 447.462 5.703 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)C3CCCC3)cc2)cc1 1875159668 VFUGAVWIPBEKTI-DEDYPNTBSA-N 434.576 7.028 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)ccc1OC(=O)[C@@H]1CCCO1 1875164645 UGVPLQLRFBQTPN-RBZVCHSGSA-N 444.483 5.468 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1OCC 1875167204 UKQOVCJYRRFTJF-PKNBQFBNSA-N 430.928 5.966 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)ccc1OC(=O)c1cccnc1 1875186199 IZRUHBOFNZGRFN-RMKNXTFCSA-N 437.879 5.258 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)C(F)(F)F)c(OC)c2)cc1Cl 1875188250 QXXVMLNPBDGASW-HWKANZROSA-N 449.208 5.374 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1881179131 NLNWDJYCLUSRTO-QHCPKHFHSA-N 444.531 5.934 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)[C@@H](c3ccccc3)C3CCCC3)cc21 1890605543 LYJPPRLGLAKWAS-DEOSSOPVSA-N 432.564 5.537 30 10 IKEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)Nc1cccc(C(F)(F)F)c1F 1891256196 IKRZDQRIPGJNOK-UHFFFAOYSA-N 434.311 5.067 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](CNC(=O)OC(C)(C)C)C1CCCC1 1922125501 NJPAZCQEMCNQHV-BJKOFHAPSA-N 430.633 5.459 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)[C@@H]2CCC[C@@H]21 1926544386 DVNVKSQPHAABGN-IMWIBFENSA-N 445.535 5.249 30 10 IKEE CC(C)(C)OC(=O)N(CC1CC1)[C@H](C#N)c1cc(Br)ccc1Br 1935890888 MLQGWUOBBPHNEF-OAHLLOKOSA-N 444.167 5.423 30 10 IKEE CCC1(NC(=O)OC(C)(C)C)CC(C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C1 1947418636 WSVQJFINUMTXSY-UHFFFAOYSA-N 433.524 5.297 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C1(C)C 1947975203 ZCBZNLNSKANVQZ-QHCPKHFHSA-N 433.524 5.249 30 10 IKEE N#Cc1cccc([C@H](CCNC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)O)c1 1951957917 ZLYWYNZPUHIPHS-HXUWFJFHSA-N 440.499 5.045 30 10 IKEE Cc1cc(C#N)cc([C@@](C)(CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 1952063650 CQVPRWOFKRFCGO-HHHXNRCGSA-N 440.499 5.095 30 10 IKEE C=CCC[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](CC(C)C)C(=O)O 1958048925 WAQOGHWFSRPYAP-SQHAQQRYSA-N 435.564 5.997 30 10 IKEE C#CC(CC)(CC)NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)CC 1985773562 JQJVHNXMSHJVNU-KBMIEXCESA-N 446.591 5.248 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CN(C(=O)OC(C)(C)C)CC[C@H]2C)c1 1999937467 BHXUYMSLSHTADI-KOSHJBKYSA-N 429.561 5.276 30 10 IKEE CCCCCCCC[C@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)NCCC 2035440758 BBBWAAXVXMIKKH-RUZDIDTESA-N 447.708 6.132 30 10 IKEE C=CCC[C@H](C)[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCC 2040533902 OBLBAIAADHPNHP-UPVQGACJSA-N 443.676 5.516 30 10 IKEE O=C(C=Cc1ccc(-c2ccc(Br)cc2)o1)c1cccc(N2CCOCC2)c1 2040967998 MLFHYBQTDSFKGX-UHFFFAOYSA-N 438.321 5.442 30 10 IKEE CCN(CC)c1ccc(C=CC(=O)c2c(C)nc3ccc(C)cc3c2-c2ccccc2)cc1 2041190001 GTRFNHUQKVSITM-UHFFFAOYSA-N 434.583 7.261 30 10 IKEE COc1cc(/C=C/C(C)=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 2060406091 DUAQUPVCDKLPPQ-ONEGZZNKSA-N 430.125 5.946 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C12CCC2 2076647114 JDEUFTYXZUQIGO-VWLOTQADSA-N 441.572 5.644 30 10 IKEE CC(C)c1ccc([C@@H](n2nc(C3CCC3)c(C=NO)c2Br)C2(C)CC2)cc1 2079943347 AMELNRJKJNEJGK-HXUWFJFHSA-N 430.390 6.234 30 10 IKEE CC(C)c1ccc([C@H](C2CC2)n2nc(C3CCC3)c(C#N)c2I)cc1 2079945941 OANRKDVNIVEIRJ-HXUWFJFHSA-N 445.348 5.750 30 10 IKEE O=C(O)c1c(C(F)(F)F)nn([C@@H](c2ccc(C(F)(F)F)c(F)c2)C2CCC2)c1Cl 2080047292 BZTKZBYTZFLMDG-GFCCVEGCSA-N 444.734 5.801 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cccc(Br)c1Cl 2081382501 MAVGDZWCYQKKRO-WBVHZDCISA-N 429.786 5.060 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H](Nc2ccc(Br)c(C#N)c2)CC12CCCCC2 2155293445 FNHMGNPKSFMJOW-KRWDZBQOSA-N 434.378 5.445 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](Nc2ccc(Br)cc2C#N)CC12CCCCC2 2155308329 XLXKWJJTJLUJOK-QGZVFWFLSA-N 434.378 5.445 30 10 IKEE CC(C)(C)OC(=O)NCCc1ccc(Nc2ccc(C#N)c(Br)c2F)cc1 2162324474 VIJMQDOZSZUOGT-UHFFFAOYSA-N 434.309 5.271 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCc2ccc(F)cc21 2163700637 XQDJQOPDSVVJDI-OAQYLSRUSA-N 431.305 5.695 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(C#N)c(Br)c2)C[C@@H]1C1CCC1 2194111596 LHUXPKYBWSKITI-IEBWSBKVSA-N 434.378 5.301 30 10 IKEE CC1(C)CCC(CNc2cccc(Br)c2C#N)(NC(=O)OC(C)(C)C)CC1 2201479439 DNRUYJZCOIPKCO-UHFFFAOYSA-N 436.394 5.596 30 10 IKEE C#CCN(C[C@H](NCCC)c1sc(C)c(Br)c1C)C(=O)OC(C)(C)C 2218931483 NINNHLXWMLMFNJ-HNNXBMFYSA-N 429.424 5.038 30 10 IKEE CCCCCCC[C@](C)(CO)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2227096260 QMOFABGKBKJZCV-OAQYLSRUSA-N 428.411 6.302 30 10 IKEE C=C1C[C@H]1C[C@H](NCCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237429901 PUWQWEVRGBFSTL-YSIASYRMSA-N 437.422 5.219 30 10 IKEE CCCCCCCCC[C@@](C)(CO)N(Cc1ccccc1)C(=O)OCc1ccccc1 2242458912 MWEZZUZRYVTGIK-MHZLTWQESA-N 425.613 6.717 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CC[C@H](C1)[C@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 2249390124 GFHGKEKPOFGCGX-ABELJDTGSA-N 433.593 5.142 30 10 IKEE C=CC[C@@]1(COc2ncc(Cl)cc2Br)CCCCN1C(=O)OC(C)(C)C 2272234913 VFEYIVYJSBFZAQ-IBGZPJMESA-N 445.785 5.612 30 10 IKEE C=CCCC1([C@@H](NCCC)c2ccc(Br)cn2)CN(C(=O)OC(C)(C)C)C1 2281047732 JOQYKDBZWGIGRN-SFHVURJKSA-N 438.410 5.088 30 10 IKEE O[C@@H](C#Cc1cccc(Br)c1)c1c(Cl)cc(Br)cc1Cl 2296289933 XJHJJYGIOWAVJH-AWEZNQCLSA-N 434.942 5.604 30 10 IKEE CCN=C1S[C@@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)C(=O)N1C1CCCCCC1 2297451512 HSUVZLRXKILBAM-KRWDZBQOSA-N 442.412 5.365 30 10 IKEE CCOc1ccc(N=C2SC(=Cc3ccc(OCC)c(OC)c3)C(=O)N2CC)cc1 2297462028 VIWOCADVAOAYEJ-UHFFFAOYSA-N 426.538 5.117 30 10 IKEE C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC(=Cc1cccc(Cl)c1Cl)C2=O 2297480274 YGBQOUNQDOEMKJ-XKPPFCCUSA-N 445.430 6.880 30 10 IKEE O=C(C=COC=CC(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 2297533854 RJBDQJSLZXNNDS-UHFFFAOYSA-N 436.099 5.321 30 10 IKEE CCCSC1=NC(=Cc2cc(Br)ccc2OCc2ccccc2)C(=O)S1 2297620225 ZWLSZZMDIAAWDV-UHFFFAOYSA-N 448.407 6.142 30 10 IKEE C=CCN1C(=O)C(=Cc2ccccc2OCCCOc2ccccc2Cl)SC1=S 2297624712 GBHYEGUDIBBAOA-UHFFFAOYSA-N 445.993 5.575 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@H](C#N)[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 2304232766 UKHGUNCYSLQMNJ-RTBURBONSA-N 433.593 5.238 30 10 IKEE CC(C)C[C@H](CS)COc1cc(Br)cc(I)c1 2308055767 HCHDIVBWWGQJHH-JTQLQIEISA-N 429.161 5.025 30 10 IKEE O=C(C=C1Nc2ccc([N+](=O)[O-])cc2NC1=CC(=O)c1ccc(Cl)cc1)c1ccccc1 2313501658 JLROVADVPPVTIW-UHFFFAOYSA-N 445.862 5.619 30 10 IKEE O=C1C(=Cc2cccs2)Oc2cc(OCc3cc(Cl)cc4c3OCOC4)ccc21 2321876552 DBKSBUNGRPAVOY-UHFFFAOYSA-N 426.877 5.463 30 10 IKEE CCOc1ccccc1C=C1Oc2c(cc3c(c2C)OCN(Cc2ccccc2)C3)C1=O 2322312450 XIYXBADXHQYKGC-UHFFFAOYSA-N 427.500 5.362 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2ccccc2F)cc1 2322456045 ZDUZMPHMBNXKBO-UHFFFAOYSA-N 439.870 5.401 30 10 IKEE O=C(COc1ccc2ccccc2c1C=CC(=O)c1ccc(F)cc1F)NCc1ccco1 2322498596 NIODTWJYLWVUKB-UHFFFAOYSA-N 447.437 5.302 30 10 IKEE CCOC(=O)c1ccc(COc2c(C=CC(=O)c3ccc(C)c(C)c3)cccc2OC)o1 2322901027 IAECZSJEHWSRJU-UHFFFAOYSA-N 434.488 5.557 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O 2323172779 PEQQVPRUFJJFMT-UHFFFAOYSA-N 432.447 5.515 30 10 IKEE CCCOC(=O)COc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)ccc1OC 2323327940 LEQLDUWBEVUPEO-UHFFFAOYSA-N 434.488 5.085 30 10 IKEE COc1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2Cl)C3=O)cc1 2323423993 GIEOZWRFWFRWSV-UHFFFAOYSA-N 446.886 5.892 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)ccc1OCC(=O)Nc1ccccc1C 2323481526 LDTKCQDUBDIRMR-UHFFFAOYSA-N 443.543 5.870 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)cc(C)c3C2=O)cc1 2323635220 SZWWMJIQPWPVMJ-UHFFFAOYSA-N 442.511 6.174 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1 2323674873 JKBLJCPJWOWDCZ-UHFFFAOYSA-N 430.460 5.125 30 10 IKEE COc1ccccc1-c1csc(NN=Cc2cc(Cl)c(OC(C)C)c(Cl)c2)n1 2323858443 XIGDEPLFHOSHHF-UHFFFAOYSA-N 436.364 6.359 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1Cl)Nc1ccccc1 2324036872 FKNYBRQPNMMYEC-UHFFFAOYSA-N 449.890 5.025 30 10 IKEE CCCCN(CCCC)Cc1c(O)cc(C)c2c1OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2324077921 ZEABRYGKCWQPAF-UHFFFAOYSA-N 438.524 5.627 30 10 IKEE CCCCOC(=O)COc1ccc2c(c1)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2324290197 IXQFIKYNTMYTDN-UHFFFAOYSA-N 428.484 5.692 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc2c(c1C)OC(=Cc1ccncc1)C2=O 2324515855 SRYSFQIDNFXIGD-INIZCTEOSA-N 448.906 5.374 30 10 IKEE COC(=O)c1ccc(C=C2Oc3c(ccc(OCCOc4ccc(C)cc4)c3C)C2=O)cc1 2324538783 ALCYPFXVKMODOT-UHFFFAOYSA-N 444.483 5.164 30 10 IKEE Cc1c(OCCOc2ccc(Cl)cc2)ccc2c1OC(=CC=Cc1ccccc1)C2=O 2324673212 LZFMJBJRGOAAKY-UHFFFAOYSA-N 432.903 6.279 30 10 IKEE COc1ccc(OCCOc2ccc3c(c2C)OC(=Cc2ccc(N(C)C)cc2)C3=O)cc1 2324684736 YPFXFPSVLLVUJU-UHFFFAOYSA-N 445.515 5.144 30 10 IKEE CCc1ccc(NC(=O)[C@H](CC)Oc2ccc3c(c2)OC(=Cc2cccs2)C3=O)cc1 2324816643 DXOZILDPEXCBPF-NRFANRHFSA-N 433.529 5.723 30 10 IKEE COc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)c(OC)c1 2324825597 NNEFKVIKSAPFBD-FQEVSTJZSA-N 448.544 5.342 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCC(=O)N[C@H](C)c4ccccc4)cc(C)c3C2=O)c1 2325020075 ZPQXHNQMEWTXHO-LJQANCHMSA-N 427.500 5.176 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc([N+](=O)[O-])cc1 2325565243 ZNKHOJOUQPRSCC-UHFFFAOYSA-N 431.521 5.467 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)cc1 2325712579 BQJSMUBGYAYNLJ-UHFFFAOYSA-N 443.499 6.361 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OC(=O)c1cc2ccccc2n1C 2325735687 BWKLOUNPSCTQSW-UHFFFAOYSA-N 439.511 5.919 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OCC(=O)Nc3cccc(C)c3C)cc(C)c2C1=O 2325738407 WZVZTZUOGTZTOT-UHFFFAOYSA-N 433.529 5.615 30 10 IKEE CCCCOc1cccc(C=Nn2c(CCCC)nnc2SCc2ccccc2F)c1 2326272730 KIXPYIGIDQUTDA-UHFFFAOYSA-N 440.588 6.113 30 10 IKEE CSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1c(Cl)cccc1Cl 2327506834 VEARLDIMNDUUDN-UHFFFAOYSA-N 427.744 5.421 30 10 IKEE Cc1cccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2[C@H](C)c2ccccc2)c1 2330135531 DZSGJSULLDSRFZ-LJQANCHMSA-N 447.007 6.566 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)[C@@H]1CCCO1 2330609234 ODTPSOBWRGBKTQ-SANMLTNESA-N 442.511 5.733 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)cc(Cl)c1OC(=O)CCCSC 2330752659 MMERWICAMTULFH-UHFFFAOYSA-N 446.996 6.246 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2)ccc1OC(=O)c1cc(C)cc(C)c1 2330874583 ZSGYNPRHMQJVAN-UHFFFAOYSA-N 444.527 6.134 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2ccc(Cl)cc2Cl)nnc1C(F)(F)F 2331155041 MIRKASILNWWYRX-UHFFFAOYSA-N 445.297 6.087 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc([N+](=O)[O-])c1OC(=O)c1ccc(OC)cc1 2331174290 IPSNSMXFEIDKQN-UHFFFAOYSA-N 447.443 5.117 30 10 IKEE COc1cc(C=Nn2c(SCc3cc(C)ccc3C)nnc2-c2ccco2)ccc1O 2331208161 MSLHEBWWFASASJ-UHFFFAOYSA-N 434.521 5.044 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccco3)n2N=Cc2cccnc2)cc1Cl 2331225331 HDZXLIVOKYWCIP-UHFFFAOYSA-N 430.320 5.414 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(Br)c1OC(=O)C(C)(C)C 2331281319 IEOQMURTGKOITR-UHFFFAOYSA-N 431.326 5.614 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc3ccccc23)cc([N+](=O)[O-])c1OC(=O)C1CC1 2331478600 ODRZSJHDGUUJCY-UHFFFAOYSA-N 431.444 5.358 30 10 IKEE COCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccccc1OC(C)C 2331577979 WTFCONVXVHVCHO-UHFFFAOYSA-N 430.961 5.040 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OC(=O)CCc2ccccc2)cc1 2331741368 CYMGQQOSQJWTBO-UHFFFAOYSA-N 434.919 6.091 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(Cl)ccc2OC)cc(OC)c1OC(=O)C(C)(C)C 2331883172 NSWGJUUQCFBJJI-UHFFFAOYSA-N 442.939 5.933 30 10 IKEE C=CCCCCC[C@@H](NCC)[C@@H](O)c1sc(Cl)cc1I 2366672177 KMICGBMFDKOYHT-TZMCWYRMSA-N 427.779 5.154 30 10 IKEE C=C(C)CN1C(=O)COc2ccc(NC(=O)CCCOc3ccc(Cl)cc3Cl)cc21 12081544 JKNOSFRIGQBQBN-UHFFFAOYSA-N 449.334 5.093 30 10 IKEE CCc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(N(C)C)cc2)cc1 21223176 QCBDJKHENAAGJV-KPURRNSFSA-N 437.587 6.295 30 10 IKEE COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(Cl)ccc2O)c1 21230900 NKZHQCAMXFZPHM-DXPJPUQTSA-N 446.934 6.034 30 10 IKEE Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc3ccccc23)cc1 21246998 ASTQYGCKYIQITM-CHJDUVSTSA-N 430.551 7.128 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O 33365777 LOCKJBHVSHLSFQ-MTJSOVHGSA-N 435.273 5.593 30 10 IKEE C[C@H](Sc1cc(/C=C\c2ccc(Cl)cc2)c(C#N)c2nc3ccccc3n12)C(=O)O 33481400 RXRSUOZBWZZOHT-PIZKADEWSA-N 433.920 5.748 30 10 IKEE C/C=C\Oc1ccc(C(=O)/C(=C\c2ccc(OC)c(OC)c2)c2nc3ccccc3o2)cc1 35297336 CMVDREQNMYIPNJ-FPAHBGEVSA-N 441.483 6.181 30 10 IKEE O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(-c2ccc(F)cc2)o1 35484953 NVQALJKTWBQQAS-SSZFMOIBSA-N 434.470 6.835 30 10 IKEE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=N/Nc1cc(Cl)ccc1Cl 59154724 SPEDAOKYRXARSF-ZVBGSRNCSA-N 449.254 5.058 30 10 IKEE C=CCn1c(SCCC(=O)Nc2ccc([C@H](C)CC)cc2)nnc1-c1ccc(F)cc1 59803523 BMXIUZKIDZYELQ-QGZVFWFLSA-N 438.572 5.905 30 10 IKEE C/C(=N\OCc1cccc(F)c1)c1cc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)c1C 97629505 GKKGELWVQXBLCN-OCSSWDANSA-N 434.461 6.811 30 10 IKEE COc1ccc(-c2cc(/C(C)=N/OCc3ccc(F)cc3)c(C)n2-c2ccccc2F)cc1 97632662 XWZBDQJVALTDIS-UXHLAJHPSA-N 446.497 6.680 30 10 IKEE CCCCCCCCCCCCCCCc1nc2c(OC)c3c(cc2c(=O)n1N)OCO3 100292158 ONIBBINACZOFLY-UHFFFAOYSA-N 445.604 5.481 30 10 IKEE CCCCCCCCCCCCn1c([C@@H](C)NC(=O)c2cccnc2)nc2ccccc21 102101961 NXGZMUNIMONSMD-JOCHJYFZSA-N 434.628 6.843 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)/C(=C(\O)c4ccco4)[C@H]3c3ccccc3)sc2c1 102739976 ODMCDKCDPHGAPK-GOBJLOIFSA-N 430.485 5.078 30 10 IKEE CCCCCCCC(=O)N1CCN(c2nc(C)nc(C)c2Cc2ccc(Cl)cc2)CC1 102992334 DTLGKSNFUUUAQX-UHFFFAOYSA-N 443.035 5.347 30 10 IKEE CCOc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)c2ccccc2)cc(Cl)c1OC(C)C 169938288 RAFVWKGWYHNAOO-FQEVSTJZSA-N 444.984 5.202 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@@H]2c2ccccn2)cc1C 169993094 AETPAYWMUIDDBB-OAQYLSRUSA-N 436.870 5.274 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@@H]1c1ccccn1)c1ccc(Cl)cc1 169995987 DELSLNZGLZFGTM-HSZRJFAPSA-N 440.886 5.671 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2cccs2)c1 170160200 VQFQFSAJJIGKIC-OAQYLSRUSA-N 430.485 5.026 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2cccs2)c(C)c1 170160745 YZJRLHNOWGWEHV-HXUWFJFHSA-N 434.473 5.056 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3cccc(OCCC)c3)=C(O)C(=O)N2CCC)cc1 170215577 GWRKVFCBGGYQJG-QHCPKHFHSA-N 437.536 5.253 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2)ccc1Cl 170231350 TWDAIWMSBIWYSO-OAQYLSRUSA-N 425.912 5.260 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(Cl)cc2)cc1 170237059 XUNRYADOVYLLLG-OAQYLSRUSA-N 425.912 5.260 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1ccc(F)cc1 170243958 DNSJFUKJGIYJDZ-OAQYLSRUSA-N 437.467 5.349 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccccc1F 170253646 SDWRTQMPTOHIQD-QHCPKHFHSA-N 435.539 5.953 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1cccc(O)c1 170262981 GBQBCTRJJDXSCO-HXUWFJFHSA-N 425.868 5.170 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@@H]2c2ccco2)c1 170288564 ZLALFDDSELFQPX-OAQYLSRUSA-N 437.879 5.423 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2cccc(Cl)c2)o1 170303570 QRJMAOIJWOYOJF-HSZRJFAPSA-N 443.886 6.178 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2sccc2C)cc1 170317557 CUZFDISYBYTXJD-OAQYLSRUSA-N 439.577 5.756 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2CCC)c1 170323523 UPFVLLMWTCCENO-HSZRJFAPSA-N 437.536 5.251 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(C(C)C)cc2)cc1 170422410 BGORBJSMBAZLOP-QHCPKHFHSA-N 431.488 5.190 30 10 IKEE COc1cccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(C(F)(F)F)cc2)c1 170431345 UWDVSMVXINATCB-SFHVURJKSA-N 433.426 5.229 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(OCc3ccccc3)cc2)[C@H]1c1cccnc1 170481007 NVWFSNQOIYZYDW-VWLOTQADSA-N 442.515 5.176 30 10 IKEE Cc1ccc(-c2cc(Nc3c(C#N)cnn3-c3cc(C)c4cccc(C)c4n3)nc(C)n2)cc1 170547559 PBQNYVJRRJSPNN-UHFFFAOYSA-N 445.530 5.726 30 10 IKEE CCCCCCCC[C@H](CCCCCC)C(=O)Nc1cc(Cl)c(CC)c(Cl)c1O 196160306 WXFPXDRPOSTDEF-SFHVURJKSA-N 444.487 8.537 30 10 IKEE CC1=C(Br)C(=O)/C(=C2/C[C@H](c3ccccc3)Sc3ccccc3N2)C(=O)O1 205742474 CNISHORTVUPOGH-PQMNFKMDSA-N 442.334 5.342 30 10 IKEE CCCCCCCC[C@H](O)c1cc(Br)ccc1I 232924120 OGLNELCSKCTDQP-HNNXBMFYSA-N 425.148 5.838 30 10 IKEE CCN(CC)c1ccc(Nc2nc(SC)nc(-c3cccc(Cl)c3)c2C#N)c(C)c1 243793251 QLZJKFQIYNEFKE-UHFFFAOYSA-N 438.000 6.289 30 10 IKEE CN1/C(=C2\SC(=Nc3ccccc3)N(c3ccccc3)C2=O)Sc2ccc(Cl)cc21 252618125 LEGFWWCGZGFWME-CVJJEBQVSA-N 449.988 6.519 30 10 IKEE COCCCN1C(=O)/C(=C\c2ccc(-c3ccc(C#N)cc3)o2)SC1=Nc1ccccc1 254525133 BWOUVQLTWXPQMX-FABJILDNSA-N 443.528 5.459 30 10 IKEE CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C(=N[N+](=O)[O-])CCC[C@]4(C)[C@@H]3CC[C@]12C 254555256 ZJFYDPFCQFKJHC-CHEBMZDBSA-N 430.677 7.740 30 10 IKEE C(=Nc1ccc(-c2ccc(N=Cc3c[nH]c4ccccc34)cc2)cc1)c1c[nH]c2ccccc12 254630610 YUDMZKQKNPIPMK-UHFFFAOYSA-N 438.534 7.817 30 10 IKEE O=C(OCc1ccccc1)N1C[C@H](c2cc(Br)ccc2Cl)[C@@H](CS)C1 382693910 OVTMCNXJUWOUTK-PBHICJAKSA-N 440.790 5.385 30 10 IKEE N#Cc1ccc(Nc2cc(I)ccc2Br)c(Cl)c1 394131041 WEJWYUYVIUSESQ-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE CCOc1ccc([C@@H]2C(c3cccc(OC)c3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526488495 JTZVNLXGBMZTGY-XMMPIXPASA-N 426.472 5.023 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526489780 SEZDVSNMMKQCPH-HSZRJFAPSA-N 429.545 5.523 30 10 IKEE Cc1ccc(SC2=C(Nc3ccc(F)cc3F)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 526663060 PFOVFADQRQUQKS-UHFFFAOYSA-N 447.466 5.134 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1ccc(Cl)c([N+](=O)[O-])c1 526802082 AZUJLVDUMUZTPJ-JJFYIABZSA-N 433.896 5.106 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1/N=C\c1cccc(OC(C)C)c1 526802276 BLMFHWFGPSATLT-MYYYXRDXSA-N 426.561 5.722 30 10 IKEE CCOc1c(Cl)cc(/C=N\n2c(CC)nnc2SCc2ccc(C)cc2)cc1Cl 526804425 SEPOPTTUMMHZOZ-MSXFZWOLSA-N 449.407 6.029 30 10 IKEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1ccccc1OCC(C)C 526814750 QOLHMOXAJQUISA-MYKKPKGFSA-N 449.407 6.103 30 10 IKEE C=CCCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(OCC)cc1 586255484 NLOUQTTYEYZBQQ-UHFFFAOYSA-N 437.561 5.436 30 10 IKEE CC(C)[C@@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 698378235 PNXFBWOVKKLWDL-UXHICEINSA-N 431.577 5.113 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1 698470991 WZTZILPYFXGPSQ-UUOWRZLLSA-N 429.561 5.418 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698878517 ZBCAFADSLLKPKL-DVECYGJZSA-N 435.609 5.628 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@H](C#N)c1ncc(Br)s1 714072716 ZTDADXNAPYTQSJ-GFCCVEGCSA-N 428.739 5.565 30 10 IKEE CCOC(=O)c1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1-c1cccc(F)c1 725432051 XWAHMFFFSKCQNF-UHFFFAOYSA-N 446.322 5.893 30 10 IKEE O=C1/C(=C\c2cccn2-c2ccccc2)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 1084605691 ZEAHKDYFVSRCJH-HSHJPCDPSA-N 449.579 6.150 30 10 IKEE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1C(=NNc1ccccc1)CCC2 1772750549 CXUITHYRFAPQGH-UHFFFAOYSA-N 428.319 6.300 30 10 IKEE Fc1ccc(-n2cc(/C=N\NC(=S)Nc3cccc(F)c3)c(-c3ccccc3)n2)cc1 1857808751 IIKKPEWMDBWIBC-WGARJPEWSA-N 433.487 5.138 30 10 IKEE CCCCCCCCCCn1cc(O[C@@H](C)C(=O)c2ccccc2)c(=O)cc1C(=O)O 1857891536 WDIYOBGEWFVIEO-IBGZPJMESA-N 427.541 5.337 30 10 IKEE Cc1cc(C)c(NC(=O)Oc2cccc3c(NC(=O)c4cccc(C#N)c4)cccc23)c(C)c1 1858779785 DLPSRNUCIIDVSL-UHFFFAOYSA-N 449.510 6.500 30 10 IKEE CCCCCCCCCNC(=O)[C@H](C)Oc1cc(C)cc2oc(=O)c3c(c12)CCCC3 1860278461 QUTHLTAVWQWUDW-IBGZPJMESA-N 427.585 5.614 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccccc2)c1)C(=O)Nc1cccc(Br)c1 1860729573 KNSAGKNKYURHTK-OUKQBFOZSA-N 436.305 5.249 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2ccccc2)cc1 1862389755 MVYAIHFFPAEFJO-XMMPIXPASA-N 445.584 5.912 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1cccc(Cl)c1 1862415939 BQWVXXWJYXSVLV-HXUWFJFHSA-N 449.881 5.012 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862438823 RHMKYTYOWXJXQC-GOSISDBHSA-N 449.290 5.280 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CC)cc1OC 1862440695 PNJSYOLLJNMOPY-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2cccc(F)c2)cc1 1862474314 MWQSKDJQWRLNEK-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC2=CCCCC2)ccc1O 1862480881 QVFZIKKFKVEIHK-XMMPIXPASA-N 447.531 5.178 30 10 IKEE CCN(CC)CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccccc1C 1862489632 FBDCLGHGTXNHSF-RUZDIDTESA-N 448.607 5.312 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1c(Cl)cccc1Cl 1862498389 HGHFMVNGEJWFGK-VBKZILBWSA-N 432.347 5.987 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(CC)cc2)cc1 1862530574 SLOUARSTOAIFDH-HSZRJFAPSA-N 431.557 5.651 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2cc(Cl)cc(Cl)c2)cc1 1862538006 HRQNBRBPFGFREF-FQEVSTJZSA-N 448.346 5.171 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)c1 1862543207 AOUZWEJLKWMKHS-YZXAJQSBSA-N 443.587 6.031 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1 1862605249 PELIVKYHDARCKM-YKSBVNFPSA-N 449.547 5.395 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1cccc(OC)c1 1862614984 GMJGVPKIRBAIEO-XMMPIXPASA-N 449.591 6.151 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(F)cc1 1862649978 KVFFPQKNZAIMFP-HGMMTPDKSA-N 443.518 6.136 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C(C)C)cc3)[C@@H]2c2cccc(C)c2)c1 1862661631 WUXFMJZFIXDICU-SANMLTNESA-N 439.555 6.205 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3cccc4ccccc34)C2=O)cc1 1862845981 QPIJPZXXCVNNTI-UHFFFAOYSA-N 429.479 5.417 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccccc2F)=C(c2ccc(C)cc2)C1=O 1863262419 ASYYQISJDIIEHI-UHFFFAOYSA-N 436.571 6.467 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N(CCC)CCCC)nn1-c1ccccc1Cl 1870008005 SGUMAHAEBWOPNK-UHFFFAOYSA-N 448.055 6.626 30 10 IKEE CCCCCCCCNC(=O)c1cn(-c2ccc(-c3ccccc3C)cc2)c(=O)cc1O 1870128357 RFHGAZRLAYIXGK-UHFFFAOYSA-N 432.564 5.609 30 10 IKEE CC(C)(C)SCc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCC1=CCCCC1 1870233095 WDWWSTCYMTXZEF-UHFFFAOYSA-N 436.621 6.221 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(CC)cc2)c(=O)cc1CSCCO 1870271182 YACKNGNHDYSNEO-UHFFFAOYSA-N 431.642 5.576 30 10 IKEE CCCCCCCCn1cc(OCC)c(=O)cc1CN1CCN(c2ccc(F)cc2)CC1 1870363335 SKGUPQBVAICOPO-UHFFFAOYSA-N 443.607 5.069 30 10 IKEE C=CCOc1cn(CCc2ccc(C)cc2)c(CNc2ccc(OCCCC)cc2)cc1=O 1870809856 YWPWQZCCSQSIAO-UHFFFAOYSA-N 446.591 5.755 30 10 IKEE CCCCCCCOc1cn(CCCCCC)c(CNc2ccc(C)cc2C)cc1=O 1870839405 KWCFGQHFKKVBPX-UHFFFAOYSA-N 426.645 7.007 30 10 IKEE C=CCn1cc(OCc2ccccc2C)c(=O)cc1CNc1ccc(N2CCCCC2)cc1 1871079756 YCEYNFRXZUWCAP-UHFFFAOYSA-N 443.591 5.524 30 10 IKEE CC(C)(C)Oc1ccccc1CN1COc2ccc3c(c2C1)O/C(=C\c1ccco1)C3=O 1871345197 XFHHEBHEIPNMNR-QRVIBDJDSA-N 431.488 5.425 30 10 IKEE Cc1ccc(C)c(CN2COc3cc(C)c4c(c3C2)O/C(=C\c2ccccc2C)C4=O)c1 1871349373 QKDCSRBVEYTIAD-MXAYSNPKSA-N 425.528 5.889 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN([C@@H]2CCCC[C@@H]2C)C4)c1 1871351316 UMJLATCJXAWEOB-RBKSVUBWSA-N 449.547 5.359 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(C(C)(C)C)cc1)C3=O)CN(CCCN(C)C)CO2 1871352335 AYTFEBWYVATBIS-UCQKPKSFSA-N 434.580 5.012 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccco1)C3=O)CN(C1CCCCCCCCCCC1)CO2 1871355928 NLDLYGLLAVDGQE-UQQQWYQISA-N 449.591 7.029 30 10 IKEE CCOc1ccc(OCC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccs2)C3=O)cc1 1871366269 BEBNDKYWNRAQSD-BKUYFWCQSA-N 436.485 5.056 30 10 IKEE Cc1cc(OC(=O)c2ccc(F)c(F)c2F)cc2c1C(=O)/C(=C/c1ccccc1F)O2 1871370419 KWLWSYFYCCEOSN-NVMNQCDNSA-N 428.337 5.387 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCC(Cc4ccccc4)CC3)C2=O)o1 1871395114 GTFPKIMXYLRMSW-XYGWBWBKSA-N 429.516 5.365 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(O[C@@H](C)C(=O)Nc3ccc(F)cc3)c2C)C1=O 1871400779 KSUVEXDFNXXPPB-PGECNJAHSA-N 431.463 5.465 30 10 IKEE CCc1ccc(NC(=O)[C@@H](CC)Oc2ccc3c(c2C)O/C(=C\c2ccccc2)C3=O)cc1 1871425712 NJEQJCIEQLCECJ-BQHBAAMWSA-N 441.527 5.970 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OCCc4ccc(C)cc4)c3C)C2=O)c1OC 1871437577 JWQREEAWUGBIND-JLPGSUDCSA-N 430.500 5.558 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OCC(=O)NCc3ccccc3Cl)cc(C)c2C1=O 1871445550 FHHGWAYCENBRLX-FMCGGJTJSA-N 447.918 5.268 30 10 IKEE COc1ccc(CCOc2cc(C)c3c(c2)O/C(=C\c2cn(C)c4ccccc24)C3=O)cc1 1871448463 QOPQSTXJHMAOQK-YSMPRRRNSA-N 439.511 5.733 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(OC)cc2)[nH]c(N2CCCC2)n1 1871563301 NKZWVTFNFKEKQU-UHFFFAOYSA-N 426.609 5.199 30 10 IKEE CC(C)(C)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 1872762856 YBGJVBAIJBJURI-KRWDZBQOSA-N 429.372 6.904 30 10 IKEE N#C[C@H](C(=O)Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2cccs2)cs1 1872771576 XKPWAALHQWNYSJ-HXUWFJFHSA-N 430.554 5.870 30 10 IKEE Cc1ccc(C)c(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)c1 1872772559 PZVURYSLOZLTFI-WMLDXEAASA-N 445.371 6.378 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C\c3ccc(Cl)cc3)n2)c2ccccc12 1872788623 MQOCOSNSSOBABT-UOMAQRANSA-N 444.943 6.515 30 10 IKEE CC(C)c1ccccc1O[C@@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)s2)cs1 1872789607 OEBOAISZSARNMO-ZFWWWQNUSA-N 430.982 6.292 30 10 IKEE Cc1cc(NC(=O)c2cccc(CSc3nc(C)c(C)c(C)c3C#N)c2)ccc1C(C)C 1872893212 MURFEHFYQLOBEV-UHFFFAOYSA-N 443.616 6.855 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(Cl)c2C)cc2c(N(C)Cc3ccccc3)ncnc21 1873660373 KAQPBNHRQXLHPQ-UHFFFAOYSA-N 445.954 5.468 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1/N=C/c1ccc(C)cc1 1874194954 OWXAVNKTNDSJSA-ZXVVBBHZSA-N 448.636 6.056 30 10 IKEE CCSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1ccccc1F 1874204265 RRBXYMAOUAVZAG-LSHDLFTRSA-N 425.316 5.297 30 10 IKEE CCCSc1nnc(COc2ccc(OCC)cc2)n1/N=C/c1ccccc1Cl 1874236539 OAXBMUMDTCVSFF-OEAKJJBVSA-N 430.961 5.294 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2Cl)n1/N=C/c1cc(Cl)ccc1O 1874279106 UMAJYZMYETVHJZ-WYMPLXKRSA-N 447.391 5.626 30 10 IKEE Oc1cccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCc2cccc(F)c2)c1 1874377603 FAOSKYVROYASRK-VULFUBBASA-N 436.487 5.027 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@@H](C)c3ccccc3)n2/N=C/c2ccc(F)cc2)c1 1874395705 TUSBETCGIWSJMB-MEAKTTDOSA-N 444.579 6.360 30 10 IKEE Oc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 1874398339 BCCBBVUWNHLLCH-WGOQTCKBSA-N 432.524 5.083 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2cccc(C)c2)nnc1-c1cccs1 1874421957 NELWREQWCBEOES-PCLIKHOPSA-N 448.617 6.278 30 10 IKEE Cc1ccccc1CSc1nnc([C@H]2CCCO2)n1/N=C/c1c(F)cccc1Cl 1874443554 FVJBRZGVOGVWBN-QVHMZZSFSA-N 430.936 5.405 30 10 IKEE Cc1ccccc1CSc1nnc([C@H]2CCCO2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874444203 UDQRSXNZKNGNDE-XDEFOSFOSA-N 434.609 5.910 30 10 IKEE C=C(C)CSc1nnc([C@@H]2CCCO2)n1/N=C/c1ccc(OCc2ccccc2C)cc1 1874447180 UZDAJTXMRJCSDV-XQQQEEOESA-N 448.592 5.567 30 10 IKEE CCCOc1cccc(/C=N/n2c(CC(C)C)nnc2SCc2ccccc2F)c1 1874489784 KLPXVNAVPKALIP-MFKUBSTISA-N 426.561 5.579 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(C)C)n2/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 1874513613 HXKYILGFRFXSPU-FOKLQQMPSA-N 443.960 5.754 30 10 IKEE CCCOc1c(/C=N/n2c(SCc3ccccc3F)nnc2C(C)C)cccc1OC 1874513651 JMNDBMLDZQSMBC-AFUMVMLFSA-N 442.560 5.513 30 10 IKEE CCOc1ccc(/C=N/n2cnnc2SCc2ccc(Cl)c(Cl)c2)cc1OC 1874540515 RWPBVBRTYVZANF-AUEPDCJTSA-N 437.352 5.167 30 10 IKEE COC(=O)COc1ccc(Br)cc1/C=C/C(=O)c1ccc(Cl)cc1Cl 1874573594 VZEFZBZTPLGESJ-QHHAFSJGSA-N 444.108 5.204 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Cl)cc(OC)c1OCc1ccccc1Cl 1874576712 BTNPEOATFMDKPT-VAWYXSNFSA-N 443.326 6.486 30 10 IKEE O=C(/C=C/c1cc(Br)ccc1OCCc1ccccc1)c1ccc(F)cc1 1874583894 LOANURBCQZVBJE-XYOKQWHBSA-N 425.297 6.106 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCc3ccccc3F)ccc3ccccc23)cc1Cl 1874590772 IOCPKHSMAZQBRI-OUKQBFOZSA-N 446.905 7.116 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)c1OCC(=O)OCC(C)C 1874592439 ZBVTXGHRBVKPOD-WYMLVPIESA-N 448.515 5.331 30 10 IKEE Cc1cccc(NC(=O)COc2cccc(/C=C/C(=O)c3ccc4ccccc4c3)c2)c1C 1874593221 YJEWNRNCYPFAPA-DTQAZKPQSA-N 435.523 6.370 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1OCC(=O)Nc1ccccc1 1874598341 HKZULTFQSVXJGF-JLHYYAGUSA-N 445.515 5.234 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)cc2)c1 1874604117 VWBYYTCFLRVUGT-NTEUORMPSA-N 439.555 6.096 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)cc2)cc1 1874606599 WVDKZAIBDTVYTD-LFIBNONCSA-N 441.571 6.560 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OCC(=O)Nc1cc(C)ccc1C 1874620009 DNSILGDRJFNDIO-YRNVUSSQSA-N 447.506 5.673 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OCc3cccc(Cl)c3)cc2)c1 1874630811 WHUAFGRVTVKAOZ-GXDHUFHOSA-N 436.935 6.613 30 10 IKEE Cc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)c2)cc1[N+](=O)[O-] 1874693815 XPZJITBCHXXRPR-GXDHUFHOSA-N 441.483 5.897 30 10 IKEE CCCc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccccc3OC)c2)cc1 1874698596 FGRRQYZRIWISRA-SAPNQHFASA-N 430.500 5.528 30 10 IKEE C[C@@H](C(=O)Oc1cccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1)c1ccccc1 1874718549 JQLFUDQQXSQLKT-QSOAKEGCSA-N 425.311 6.599 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(OC)c(OC(=O)c2cccc(C)c2)c(OC)c1 1875117955 KWSYTNXXYBYFHU-OUKQBFOZSA-N 432.472 5.136 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc([N+](=O)[O-])c1OC(=O)CC(C)C 1875126772 WNPRXVHGAZNFRA-BJMVGYQFSA-N 431.872 5.495 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OC 1875140258 YBYXRRZKNOTYFC-ACCUITESSA-N 430.500 5.365 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1 1875143872 VBAJYJVNTYBWCB-NTCAYCPXSA-N 430.500 5.447 30 10 IKEE O=C(Cc1cccs1)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1Cl 1875147395 XHVHDDDQFZCRQK-ZZXKWVIFSA-N 440.904 5.217 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1 1875161684 BXEJFEPTWZIZRQ-XNTDXEJSSA-N 428.434 6.162 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)ccc1OC(=O)C1CCC1 1875164598 RIDWYRVOHPYOMN-GZTJUZNOSA-N 442.511 6.479 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)C3CCCC3)c(Br)c2)cc1C 1875174755 GYHLKLRWRKEPQX-DHZHZOJOSA-N 427.338 6.058 30 10 IKEE N#Cc1ccc(N2CCN(C(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)CC2)cc1 1890821901 KFSZGRGLQOKBTQ-UHFFFAOYSA-N 435.449 5.206 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1ccc(Cl)c(NC(=O)OC(C)(C)C)c1 1922055899 VNSMLODPFXSWJY-HSZRJFAPSA-N 445.003 6.501 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C)NCCC 1922095075 QHTAULGOUJKZQP-PKTZIBPZSA-N 428.617 5.307 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@H]1CCN(C(=O)OC(C)(C)C)c2ccccc21 1922116561 RHDGYBKCGUVWGD-ZCYQVOJMSA-N 436.596 5.667 30 10 IKEE CCCCCCC[C@H]1C[C@H](C(=O)O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21 1952437455 LRHDWYLZALDGOU-RTWAWAEBSA-N 449.591 6.461 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]1(C)[C@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 1999898829 XIWIJEJZKNACDC-ZEQRLZLVSA-N 435.609 5.628 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)C1CC1 2009347424 FLUMOFYORWZJJE-PKTZIBPZSA-N 430.633 5.457 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)C2(C#N)CC3(CN(C(=O)OC(C)(C)C)C3)C2)c1 2011945085 KHXWNOZRJCEYPL-UHFFFAOYSA-N 427.545 5.030 30 10 IKEE C=CCCCCCCCCC(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2026309259 CLRYBVRUGPZTBR-UHFFFAOYSA-N 430.633 5.889 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2031496805 IIUGECOZGVMMRJ-YADARESESA-N 447.551 5.687 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)NCC 2039333860 HEXIAFOSBBACPK-JWQCQUIFSA-N 438.612 5.264 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 2059079996 XNUUKIPCPPIANZ-SQJMNOBHSA-N 438.612 6.086 30 10 IKEE C=C1CC[C@@H](O)CC1=C[C@H](O)[C@]1(O)CCC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@@H](C)C(C)C)CC[C@@H]12 2069535162 KXILCRGOVVVVRF-WOETZOIKSA-N 430.673 5.807 30 10 IKEE N#C[C@@]1([C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCCOC1 2071353037 CZHFZSGBIIALHM-SVBPBHIXSA-N 429.516 5.198 30 10 IKEE CC#CCCC[C@@H](N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2073675665 GVKCBNXNFMOTKG-NAKRPHOHSA-N 429.560 5.399 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)c1 2077947425 HDPJAEUMBRQGMF-VQTJNVASSA-N 443.588 5.664 30 10 IKEE Cc1nn([C@@H](c2ccc(C3CCC3)cc2)C(C)C)c(I)c1C=NO 2079903407 MGSXTDLBKDOQTO-GOSISDBHSA-N 437.325 5.117 30 10 IKEE N#Cc1cnc2c(-c3ccc(Br)c(F)c3)c(C3CCCCC3)nn2c1Cl 2081556962 MIMFHOOKPBVIPG-UHFFFAOYSA-N 433.712 5.871 30 10 IKEE CC[C@@H]1C[C@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)C[C@](C#N)(NC(C)C)C1 2118760236 GYPMCONLUFDGDP-QUFBTCJSSA-N 446.683 5.460 30 10 IKEE C=C(COC(C)C)[C@H](NCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134728393 SMNKJWAOSIPRAW-LJAQVGFWSA-N 445.603 6.476 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCC)c2cccc(Br)c2Cl)C1 2136572702 HALSFZYUQKVLNR-QGZVFWFLSA-N 443.813 5.614 30 10 IKEE C=CCC1([C@H](NCCC)c2c(F)cccc2Br)CN(C(=O)OC(C)(C)C)C1 2173459017 RMCJDNAWPPXCDJ-GOSISDBHSA-N 441.385 5.442 30 10 IKEE CC(C)(C)CN(CCC#N)C(=O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2181048801 JNALMZULILXNRW-UHFFFAOYSA-N 438.366 5.198 30 10 IKEE CCN[C@@H](C#Cc1ccc(Cl)cc1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2216973385 OUHZKNXNEMSBJN-XMMPIXPASA-N 441.015 5.887 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 2220388473 BPIVCMIUFRDJEZ-UAVUOLJFSA-N 447.551 5.495 30 10 IKEE CCCCCCCCC[C@@H](CO)N(C(=O)OC(C)(C)C)c1ccccc1Br 2235392347 FTIIEUOWBZVHAK-SFHVURJKSA-N 442.438 6.692 30 10 IKEE C=C([C@H](NCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)C(C)(C)C 2237429300 APIUYYHBUGNIOY-MOPGFXCFSA-N 439.438 5.465 30 10 IKEE Cc1ccc(NC(=O)CCCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1C#N 2243911263 QDXLJPCKBMSWHD-UHFFFAOYSA-N 439.515 5.124 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1csc(C2CC2)c1 2267881111 FNIMFJNPKFEAJS-KRWDZBQOSA-N 433.371 6.394 30 10 IKEE C=CC[C@@]1(COc2cc(C)cc(Br)n2)CCCN(C(=O)OC(C)(C)C)C1 2272097297 YPQCRAKJVRFMGS-HXUWFJFHSA-N 425.367 5.125 30 10 IKEE C=CC[C@@]1(COc2nccc(C)c2Br)CCCCN1C(=O)OC(C)(C)C 2272233826 IALPNNMASARDSO-FQEVSTJZSA-N 425.367 5.267 30 10 IKEE C#CC[C@@H](C)C[C@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2276997233 JQXKOPAVPFPWHJ-LXFBAYGMSA-N 443.587 5.911 30 10 IKEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)Nc1cccc(OCc2ccccc2)c1 2282665812 SQMBVURVDPQDCS-UHFFFAOYSA-N 443.352 5.126 30 10 IKEE CC(C)[C@@]1(Nc2cc(Br)c(C#N)cc2F)CCCN(C(=O)OC(C)(C)C)C1 2289946923 NLIQBEPRNBCXFA-HXUWFJFHSA-N 440.357 5.297 30 10 IKEE CCC(=NCCc1ccccc1)c1c(C(F)(F)F)[nH]n(-c2nc3ccccc3s2)c1=O 2296809658 XQDIFZJEMMZGMK-UHFFFAOYSA-N 444.482 5.236 30 10 IKEE CC(C)N(C(=O)OC(C)(C)C)C1(C#N)CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 2307667444 QXPLWXDCZOTYNU-SZTYLXMGSA-N 435.609 5.341 30 10 IKEE CCOC(=O)c1ccc(-c2ccc(C=C3SC(=Nc4ccc(C)cc4)NC3=O)o2)cc1 2313511366 JLYUOWYIFGZUEL-UHFFFAOYSA-N 432.501 5.323 30 10 IKEE CCCCCCCOc1cccc(NC(=S)NC(=O)C=Cc2cccc([N+](=O)[O-])c2)c1 2313860824 QPBWPKQUYBCXMK-UHFFFAOYSA-N 441.553 5.470 30 10 IKEE O=C1C(=Cc2ccc(O)c(O)c2)SC(=Nc2cccnc2Cl)N1C1CCCCC1 2314539926 DZHQTKBFMQNWCB-UHFFFAOYSA-N 429.929 5.083 30 10 IKEE CSc1nnc(C)n1N=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2321065631 SVRYTZWCUCVUCR-UHFFFAOYSA-N 444.560 5.349 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(ccc4c3CN(C3CCCCCC3)CO4)C2=O)cc1 2322079787 RPNULGPBZHTCCR-UHFFFAOYSA-N 446.591 6.024 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2ccc(C)cc2)cc1 2322362739 PCUYNOYPICBACJ-UHFFFAOYSA-N 433.935 6.124 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc([N+](=O)[O-])cc1)C3=O)CN([C@@H](C)c1ccccc1)CO2 2322371275 LCXUSBOJERAQKE-KRWDZBQOSA-N 442.471 5.433 30 10 IKEE CCOc1cccc(C=NNc2cnn(-c3ccc(Cl)c(Cl)c3)c(=O)c2Cl)c1 2322617419 CEUVOWYXJGITKX-UHFFFAOYSA-N 437.714 5.037 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C)c(C)c2)c1OCC(=O)N[C@@H](C)c1ccccc1 2322900937 CJEUJBXBDIWRTC-NRFANRHFSA-N 443.543 5.464 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(OC)c(OC)c2OC)c1OCc1cccc(C)c1 2323038890 JOHFNEJKDBWCJI-UHFFFAOYSA-N 448.515 5.505 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OCc3nc(O)c4ccccc4n3)c2)cc1 2323076341 TUYREYVJRUSVRW-UHFFFAOYSA-N 438.527 6.153 30 10 IKEE CCCOc1ccccc1C=CC(=O)Oc1ccc2c(c1C)OC(=Cc1ccccc1)C2=O 2323341835 TWNILJFRZDNBBO-UHFFFAOYSA-N 440.495 6.019 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)cc2)cc(OC)c1OCc1cccc(F)c1 2323647811 UXSFMUFMQQAXCE-UHFFFAOYSA-N 432.491 6.047 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2F)c(Br)c1)c1ccc(F)cc1F 2323721008 DHKVCWSQQHEUQY-UHFFFAOYSA-N 447.250 6.342 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Cl)c1OCc1ccc(Cl)cc1 2323960267 WYWJHWYUJOAAAG-UHFFFAOYSA-N 445.317 6.925 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1ccc(Cl)cc1 2324074755 TZNWJBKRADBWFQ-UHFFFAOYSA-N 448.990 7.511 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OCc1cccc(Cl)c1 2324175912 QWRFPPOVELMLRI-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE O=C1C(=Cc2ccc(Cl)c(Cl)c2)Oc2cc(OCCCOc3ccccc3)ccc21 2324234364 PCZOITLWJGASAZ-UHFFFAOYSA-N 441.310 6.458 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OCCc4ccccc4)cc(C)c3C2=O)cc1 2324283529 GNELUOGAMRGMBY-UHFFFAOYSA-N 427.544 6.079 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccc(OCCc2ccccc2)cc1 2324319278 HKMCUACGNKFPSC-UHFFFAOYSA-N 427.327 6.520 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccccc4C)c3C)C2=O)c1 2324412947 MYPYYSAPMXYLBK-IBGZPJMESA-N 427.500 5.634 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(O[C@@H](C)C(=O)Nc4cc(C)ccc4C)c3C)C2=O)cc1 2324456234 ZFIBSOIJFOAPBO-FQEVSTJZSA-N 441.527 5.942 30 10 IKEE Cc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 2324697290 URTQCQRVAAZKQJ-DEOSSOPVSA-N 436.536 6.801 30 10 IKEE CCCCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(C)cc1 2325532130 OAQHBCBAXGIDEX-UHFFFAOYSA-N 433.408 6.410 30 10 IKEE CSc1ccc(C=CC(=O)C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 2325572149 MNMWZNGHAYYVMJ-UHFFFAOYSA-N 444.581 6.215 30 10 IKEE CCCCCOc1ccc(C=Nn2c(CC)nnc2SCc2ccc(F)cc2)cc1 2325578539 WTIMKIRYTJXPNR-UHFFFAOYSA-N 426.561 5.723 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(C(=O)O)cc1 2325592955 AJUFHGUHTFSCLM-UHFFFAOYSA-N 435.336 5.020 30 10 IKEE CCc1ccc(C(=O)Oc2cc(C=CC(=O)c3ccc4ccccc4c3)ccc2OC)cc1 2325698927 DRSBYJVNAYHZGN-UHFFFAOYSA-N 436.507 6.526 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccccc3)c2)cc1 2325751913 XJPONMNIQDRXGA-UHFFFAOYSA-N 442.555 7.151 30 10 IKEE Cc1cc(C(=O)Oc2cccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)c2)ccc1[N+](=O)[O-] 2325756909 FRTDUHMEFXLCPH-UHFFFAOYSA-N 443.499 6.252 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC(=O)c2ccccc2Cl)c1 2325765683 RCUGKNNMHMHUOB-UHFFFAOYSA-N 432.947 7.061 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC)c3ccccc23)cc1OC(=O)CC(C)(C)C 2325775810 CDYORGWIGCSTCH-UHFFFAOYSA-N 432.516 6.095 30 10 IKEE CCSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1ccccc1Cl 2325908822 GJNGGZZCLJWAAS-UHFFFAOYSA-N 441.771 5.812 30 10 IKEE CCSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1ccccc1OC 2325911956 MJBMVZXGCVFYKL-UHFFFAOYSA-N 437.352 5.167 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(OC(C)C)cc1 2326546679 ZXQFZEPQTVTWTJ-UHFFFAOYSA-N 428.989 5.846 30 10 IKEE CCOc1cc(C=Nn2c(C)nnc2SCc2cc(C)ccc2C)cc(Cl)c1O 2326589563 OCBJQDZUWQRKKG-UHFFFAOYSA-N 430.961 5.136 30 10 IKEE CCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccc(Cl)cc1 2326932786 CUUHNJVDQUPNDG-UHFFFAOYSA-N 429.033 6.075 30 10 IKEE Fc1ccc(CSc2nnc(Cc3cccc4ccccc34)n2N=Cc2ccco2)cc1 2327716102 SPRCQWGLSDXJER-UHFFFAOYSA-N 442.519 5.929 30 10 IKEE C=C(C)CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1cccc2ccccc12 2328486189 WJMRGMDFEJPBPX-UHFFFAOYSA-N 443.532 5.481 30 10 IKEE CCSc1nnc(COc2c(C)cccc2C)n1N=Cc1c(OC)ccc2ccccc12 2328553967 CRBHSFYCAGKVMF-UHFFFAOYSA-N 446.576 5.630 30 10 IKEE COc1cccc(CCc2nnc(SCc3ccccc3)n2N=Cc2cccs2)c1 2328640975 VWUPFQCBQLNJNM-UHFFFAOYSA-N 434.590 5.308 30 10 IKEE Clc1ccccc1CSc1nnc(COCc2ccccc2)n1N=Cc1ccncc1 2329348046 FIDDOYIEVOQWHF-UHFFFAOYSA-N 449.967 5.218 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1cccs1 2330054971 NQEDJGBWPXPBOO-KRWDZBQOSA-N 447.589 5.104 30 10 IKEE Cc1ccccc1CSc1nnc(CC2CCCCC2)n1N=Cc1ccc(C(=O)O)cc1 2330234199 FTLNPKBCLICWAK-UHFFFAOYSA-N 448.592 5.582 30 10 IKEE C=C(C)CSc1nnc(Cc2ccccc2)n1N=Cc1c(OC)ccc2ccccc12 2330491678 LBWQTIGWAQDYJF-UHFFFAOYSA-N 428.561 5.581 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)ccc1OC(=O)c1ccccc1Cl 2330794658 IBWXMBGJTVRNAQ-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2F)n1N=Cc1cccc([N+](=O)[O-])c1 2330851015 YWIOJEWKVPTIEL-UHFFFAOYSA-N 427.505 5.089 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCCc2ccccc2)nnc1[C@@H]1CCCO1 2330970169 CUEUWQIJRVNEQT-QFIPXVFZSA-N 436.581 5.135 30 10 IKEE O=C(COc1ccccc1)Oc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1Cl 2331123290 CXUNFSITTLBZMH-UHFFFAOYSA-N 427.283 5.874 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2OCC)cc1 2331179194 SVCJJBAEGBBIPW-UHFFFAOYSA-N 444.527 5.918 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H]3C[C@H]3c3ccccc3Cl)cc2)c(C)c1 2331216250 IKJFYROXTIQZKT-ZEQRLZLVSA-N 430.931 6.562 30 10 IKEE Fc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2-c2ccco2)c(F)c1 2331222377 NBNBRWUWPIUDJG-UHFFFAOYSA-N 430.867 5.644 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2)cc1 2331318430 KILHKEDRNPEJOS-UHFFFAOYSA-N 430.500 5.583 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)CC3CCCCC3)c(Cl)c2)c1 2331385223 KVYOBNLMNBZVTH-UHFFFAOYSA-N 442.939 6.129 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OC 2331508759 SXWBFGZSYLGXJC-UHFFFAOYSA-N 444.527 5.871 30 10 IKEE CCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1N=Cc1cccc2ccccc12 2331636740 TXKSZHYUVPZOMQ-UHFFFAOYSA-N 443.576 5.305 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)Cc2ccccc2)c(Cl)c1 2331792806 YEMUQUYDUYIJLB-UHFFFAOYSA-N 446.974 6.990 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2cc(C)c(OC)cc2C)cc1OC 2331835354 UPPLEYRPPQNQJO-UHFFFAOYSA-N 430.928 5.966 30 10 IKEE CN(CC1CCN(Cc2ccccc2)CC1)c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2365069127 XJUWXTFRDRKZNW-UHFFFAOYSA-N 447.432 5.075 30 10 IKEE COc1ccc2c(c1)O/C(=C\c1ccc(OC(=O)c3ccc(Cl)cc3)c(OC)c1)C2=O 8823788 HOTVXXIKYXRBFA-UUYOSTAYSA-N 436.847 5.193 30 10 IKEE CN(Cc1ccccc1)S(=O)(=O)c1ccc(/N=C/c2c(Cl)cccc2Cl)cc1 12493143 KUUVPEPJNGHMHO-ZVHZXABRSA-N 433.360 5.565 30 10 IKEE CCc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(C)c(Br)c2)cc1 21223151 FOQBBRFEHHWOBC-RBUKOAKNSA-N 438.365 5.324 30 10 IKEE COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2F)c1 21251513 JYVASCSBDWQVMO-RKOGDMNLSA-N 444.506 5.822 30 10 IKEE CCN1C/C(=C/c2cc(Cl)ccc2Cl)C(=O)/C(=C\c2cc(Cl)ccc2Cl)C1 33679291 FSGWPDVVSDLBFA-DUGOVBPYSA-N 441.185 6.672 30 10 IKEE O=C1N/C(=N\N=C\c2ccccc2)S/C1=C/c1ccc(-c2nc3ccccc3s2)o1 39794175 RNOMBIHZBHHJMD-CGQBXHPFSA-N 430.514 5.150 30 10 IKEE COc1ccc(CNc2oc(-c3ccc(OCc4ccc(Cl)cc4)cc3)nc2C#N)cc1 39841561 UDHXMPNDSQCHGB-UHFFFAOYSA-N 445.906 6.066 30 10 IKEE C=CCOc1ccccc1/C=C1\S/C(=N/c2ccncc2Cl)N(c2ccccc2)C1=O 39864497 MJHHBCPCKACYQE-LSQRUIRXSA-N 447.947 6.108 30 10 IKEE C=CCOc1ccc([C@@H]2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2CCCCC)cc1 39912002 QDSPFZUDVJPSRT-RUZDIDTESA-N 445.563 5.699 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2nc(-c3ccc(OCC)cc3)c(C)s2)c1 41013840 LNQXDYUHBZJWIZ-UHFFFAOYSA-N 435.593 6.607 30 10 IKEE C=CCn1c(SCc2csc(Cc3ccc(Cl)cc3)n2)nc2sccc2c1=O 46691287 IRROEPKSONRCEK-UHFFFAOYSA-N 446.022 5.637 30 10 IKEE C(=N/Nc1nc2ccccc2[nH]1)\c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 59120108 VSLUMFHSLRXRGY-LQKURTRISA-N 436.563 5.662 30 10 IKEE CCOC(=O)c1cc(Cl)c(OCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)c(Cl)c1 96798008 BTMOOIHWOSPSKB-NDENLUEZSA-N 448.346 5.430 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccc(O)cc2)cc1 169959300 FPARPYWOXYWNQO-DEOSSOPVSA-N 427.500 5.354 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@@H]2c2cccc(C)c2)c1 169966179 VNNMGACVHQFVSV-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2cc(C)ccc2O)c1 169971014 OQLSGMRDSJIUJF-SANMLTNESA-N 449.506 5.945 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccnc1 170005549 YXTVIWDIXWLZCM-HXUWFJFHSA-N 439.298 5.480 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(F)cc2)cc1 170061746 VJAYWRRWCMBHDH-QFIPXVFZSA-N 446.434 5.079 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1c[nH]c2ccccc12 170073819 NLOOVZYMWXMLCH-RUZDIDTESA-N 440.474 5.409 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2cccs2)c1 170158392 NSPODZOKYQLABZ-FQEVSTJZSA-N 434.473 5.056 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2cccs2)cc1C 170158935 RVYRDJFYAFEGLK-QFIPXVFZSA-N 433.529 5.465 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@H]1c1ccc(O)c(Cl)c1 170219819 GBTHYOGUWWODDK-OAQYLSRUSA-N 443.927 5.131 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccc2)ccc1Cl 170223946 YXHIFRCJCRHESY-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccccc1F)c1cccc2ccccc12 170246889 VZWOXGXSYDQHIB-QHCPKHFHSA-N 443.499 5.819 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@@H]1c1c[nH]c2ccccc12 170255656 DFXPRUJYNKKLGO-QHCPKHFHSA-N 432.520 5.288 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1cccc(O)c1)c1ccc2c(c1)CCCC2 170257779 CEMZPPUJDIZQHL-DEOSSOPVSA-N 443.474 5.193 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@@H]1c1ccccc1C 170276902 YJWCDBOXVPKSCN-FQEVSTJZSA-N 427.928 5.344 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccco1 170283962 HBDHKJAORRDYID-LJQANCHMSA-N 428.271 5.678 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccc(C)o1 170303528 AYJLJHURKRRVAK-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@H]1c1sccc1C 170319444 VJUHSSWNMPQIME-FQEVSTJZSA-N 425.550 5.150 30 10 IKEE Cc1cc2sc(N3C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]3c3ccccn3)nc2cc1Cl 170480293 JTWYTJZLHGPBAB-QGZVFWFLSA-N 441.940 5.168 30 10 IKEE CCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2C)SC1=Nc1ccc(C)c(C)c1 252632671 VWJDRYKVGRMRDT-LJQANCHMSA-N 429.973 5.245 30 10 IKEE COc1ccc(C=Nn2c(-c3cccc(C)c3)n[nH]c2=S)cc1OCc1ccccc1 254505663 NLZJLZCLMHGDIX-UHFFFAOYSA-N 430.533 5.386 30 10 IKEE C=C(COCCC)[C@@H](NCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 407413155 NDDDYTMNLUPANK-GOSISDBHSA-N 427.383 5.430 30 10 IKEE CCCOc1ccc(CN(Cc2ccccc2)C(=O)c2cc(C#N)c(SC)nc2O)cc1 484492346 WUTRUSFEYANUJY-UHFFFAOYSA-N 447.560 5.012 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccc(Cl)c2)c1 526514444 FPPUFSIOFSDDBM-DEOSSOPVSA-N 444.918 6.058 30 10 IKEE CCCOc1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526516024 LWSHIHXKOSEKSK-DEOSSOPVSA-N 428.463 5.543 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccccc2OC)cc1 526517865 XKTVMBQSIHUOPP-DEOSSOPVSA-N 426.472 5.023 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccc(Cl)c2)c1 526518531 ZEBICTZEEGKEDX-HSZRJFAPSA-N 430.891 5.668 30 10 IKEE CCCCOc1cccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)c1 526523256 WRVMZUWWDKFSSC-RUZDIDTESA-N 442.490 5.933 30 10 IKEE CCCCCOc1ccc(/C=N\n2cnnc2SCc2ccccc2F)cc1OC 526803297 WLWIXEJVHKIVHR-QFEZKATASA-N 428.533 5.169 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1c(C)n(CC)c2ccccc12 526805436 MIIRJRAIBJFYNC-PKAZHMFMSA-N 445.636 6.387 30 10 IKEE CC(C)c1ccc(/C=C/C(=O)[C@@H]2C[C@H](NC(=O)Nc3ccc(C(C)(C)C)cc3)CCN2)cc1 586091605 QWNQCDOYCOTQDX-OOABTHAGSA-N 447.623 5.632 30 10 IKEE N#Cc1cccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 586134596 VLKDTXZPIDAOST-UHFFFAOYSA-N 449.334 5.395 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1cc(Cl)ccc1F 698406393 KPWFXJVSBFPNOF-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@H](C#N)c1cc(Cl)ccc1Br 698456403 NKEBLKDSMSSJJG-KRWDZBQOSA-N 427.770 6.237 30 10 IKEE Cc1ccc2c(c1)[C@](C#N)(N(C(=O)OC(C)(C)C)c1ccccc1Br)CC2 698482124 MCDISYHMQJGKQC-QFIPXVFZSA-N 427.342 5.864 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@@H](C#N)c1csc(Br)c1 710784052 GGNDIIADTSVYOK-AWEZNQCLSA-N 427.751 6.170 30 10 IKEE Cc1cc(/C=C2\SC(=Nc3ccccc3)N(C3CCCCC3)C2=O)c(C)n1C1CCCC1 725432295 NCUONQITRHPRGZ-SBEYKLCGSA-N 447.648 7.157 30 10 IKEE CC(C)[C@@H]1CC[C@H](C)/C(=C\Nc2ccccc2N/C=C2\C(=O)[C@@H](C(C)C)CC[C@H]2C)C1=O 820728994 DKFUOMWETOKXBE-WXSTXYBMSA-N 436.640 6.821 30 10 IKEE CC(=Nc1ccc(Oc2ccc(N=C(C)c3ccccc3O)cc2)cc1)c1ccccc1O 1081824441 VWZIISQABNBALW-UHFFFAOYSA-N 436.511 7.172 30 10 IKEE CCOC(=O)c1sc(N=Cc2ccc(OCc3ccccc3)cc2)c(C(=O)OC)c1C 1084171378 UNFXXVBWYUXZEU-UHFFFAOYSA-N 437.517 5.349 30 10 IKEE CCC(=NNc1nc(SCC(=O)Nc2c(Cl)cccc2Cl)n[nH]1)c1ccccc1 1084312715 ZZKAWFRVCBAGDZ-UHFFFAOYSA-N 449.367 5.069 30 10 IKEE C(=NNc1nc(SCc2ccncc2)n[nH]1)c1ccc2ccc3cccc4ccc1c2c34 1084317782 JSQVBIQWMUIMDU-UHFFFAOYSA-N 434.528 5.835 30 10 IKEE Cc1cccc(N=Cc2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)c1 1084624026 PCGLHIBYWJVPOM-UHFFFAOYSA-N 446.981 8.524 30 10 IKEE CCOC(=O)c1sc(N=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)c(C#N)c1C 1084638486 DVOHHQATJRSWDP-UHFFFAOYSA-N 433.316 6.422 30 10 IKEE Cc1ccc2oc(C(=O)Nc3oc(-c4ccccc4)c(-c4ccccc4)c3C#N)cc(=O)c2c1 1153652068 OJZNVUHQRWXWLQ-UHFFFAOYSA-N 446.462 6.152 30 10 IKEE Cc1ccc(C(=O)ON=C2C[C@@]3(C(=O)Nc4cccc([N+](=O)[O-])c4)CC[C@@]2(C)C3(C)C)cc1 1772722553 JHQMHWPSZCULEK-JWQCQUIFSA-N 449.507 5.271 30 10 IKEE O=C1/C(=C\c2ccccc2Cl)SC(=Nc2cccnc2Cl)N1c1ccccc1 1772736160 XEUXPQDDJWWZDM-MRKXPFMVSA-N 426.328 6.197 30 10 IKEE CC(C)c1cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(F)ccc2n1 1859620005 JAZOFGVVPFWQMO-UHFFFAOYSA-N 444.350 6.787 30 10 IKEE CC[C@@H](C)N(C(=O)/C=C/c1cccc(F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1859899091 FWARWOSOBBMECD-SBDDDAINSA-N 433.367 6.708 30 10 IKEE CC1CCC(N(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC1 1859924073 GNHZACUFAFSBPE-UHFFFAOYSA-N 447.394 7.089 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc2cc[nH]c2c1 1862380662 IPBKMTPMPIEWAX-FKIZINRSSA-N 443.330 5.852 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(Cl)c2)cc1 1862392019 OBKFYDXIPSPEGY-QHCPKHFHSA-N 437.967 6.204 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862394036 BNSSPBKLKCCIGV-AREMUKBSSA-N 447.619 6.777 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)cc1 1862401870 LSFXUQDUJZVKNR-CBCWYDDASA-N 447.575 5.723 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(F)cc1 1862401928 MZOWYKDBHKSONM-JOCHJYFZSA-N 425.500 5.301 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cccc(F)c1)c1c(F)cc(F)cc1F 1862457330 NDNGSWCECNIEBF-FQEVSTJZSA-N 433.401 5.154 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2c(F)cccc2Cl)cc1 1862480550 JJVUULIDTQAHNH-NRFANRHFSA-N 427.903 5.699 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2cccc(F)c2)ccc1F 1862502329 WVCKUOXAHJRMAA-MWTRTKDXSA-N 433.454 5.613 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2C2CC2)cc1 1862511594 LZIDTYVPIZGYNO-HSZRJFAPSA-N 437.511 5.444 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN3CCCC3)[C@@H]2c2cccc(C)c2)cc1 1862532736 JCCNELDHSQXYNK-RUZDIDTESA-N 446.591 5.012 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(OC)cc1 1862536009 OYPPNPVJGZWCKU-RCZVLFRGSA-N 449.591 6.195 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cccc(F)c1 1862544746 KLMVTLPKZKVDNU-HGMMTPDKSA-N 447.550 5.862 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc2cc[nH]c2c1 1862560846 NGVYKYZVTAGFSX-XUZZJYLKSA-N 445.563 5.687 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2ccc(Cl)cc2)cc1 1862590928 BUTFRABNWRPBRI-HSZRJFAPSA-N 447.918 5.175 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C2CC2)cc1 1862622046 DPVBFCKTDPMWGZ-HSZRJFAPSA-N 433.548 5.514 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 1862666399 CSMNHRJHVCFPJV-XMMPIXPASA-N 448.607 5.247 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2[C@@H](C)CC)c1 1862669362 UMXMUVNRRIZKIW-MHECFPHRSA-N 435.564 5.976 30 10 IKEE COc1cc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C(C)C)cc(Cl)c1O 1862671150 KVHKNKCGWGLBCS-FQEVSTJZSA-N 443.927 5.164 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccc(F)cc2)cc1 1862688396 WAJIXLKJGXDKPA-HJPURHCSSA-N 431.463 5.174 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc2cc[nH]c2c1)c1ccc2ccccc2c1 1862715660 XKZJHLAAKZOQEJ-RUZDIDTESA-N 448.478 5.693 30 10 IKEE CCOc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3cccc(Cl)c3)C2=O)cc1 1862830134 YFIWQGKFPSGOMS-UHFFFAOYSA-N 443.890 5.007 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2F)C(=O)N(CCCOCC)C1=O 1863648677 DVOUKVZEJOXUCA-UHFFFAOYSA-N 432.580 5.063 30 10 IKEE C[C@H]1c2ccc(C#N)n2CCN1C(=O)c1cccc(N2COc3ccc4ccccc4c3C2)c1 1866310492 ZZLILBLJZFXNRW-IBGZPJMESA-N 448.526 5.086 30 10 IKEE C[C@@H](CC(=O)N[C@@H](C(=O)Nc1ccccc1C#N)c1ccccc1)c1ccc(Cl)cc1 1866716713 YPUVCIMCIRRTJB-BXKMTCNYSA-N 431.923 5.201 30 10 IKEE CC(C)(C)c1nc(Nc2ccccc2C#N)cc(N2CCC[C@@H](Oc3ccccc3)C2)n1 1868349370 QSYUKGSBXBDOLK-OAQYLSRUSA-N 427.552 5.437 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3ccccc3[C@@H]2c2cccc(OC)c2)nc(CC)n1 1869126585 AJYFLSYSYHRGEX-NDEPHWFRSA-N 440.591 5.378 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2C)c(CN2C[C@H](C)C[C@@H](C)C2)cc1=O 1870412839 KJKWVDAGBIGZNE-DHIUTWEWSA-N 438.656 6.032 30 10 IKEE C=CCOc1cn(Cc2cccc(C)c2)c(CNc2cc(Cl)cc(Cl)c2)cc1=O 1870809643 NUBPSRXKCGTKAP-UHFFFAOYSA-N 429.347 5.689 30 10 IKEE C=CCOc1cn(CCC2=CCCCC2)c(CNc2ccc(N3CCCCC3)cc2)cc1=O 1870813478 MMLPSAWNGLWMPK-UHFFFAOYSA-N 447.623 5.906 30 10 IKEE CCCCCCCOc1cn(Cc2ccco2)c(CNc2ccc(Cl)cc2)cc1=O 1870836726 RTRXPBFNHVEYHU-UHFFFAOYSA-N 428.960 6.104 30 10 IKEE CCc1ccc([C@@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2ccccc2F)C4=O)cc1 1871354713 YWJFXCQZZSJJBW-YMKHCOABSA-N 429.491 5.917 30 10 IKEE Cc1ccc(CCC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871367093 XTQLBFLIGUTDIE-UCQKPKSFSA-N 432.903 6.111 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)c1 1871412278 QAPHGQABURDUQF-ZKDCOOFMSA-N 447.918 5.979 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)c(C)c1 1871412420 ZKJJWZOYHRGTKU-ZKDCOOFMSA-N 447.918 5.979 30 10 IKEE CCc1ccc(OCCCOc2cc(C)c3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871413329 YMKZNSFQDYJXPG-XYGWBWBKSA-N 448.946 6.675 30 10 IKEE C[C@H](Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O)C(=O)Nc1ccc(Cl)cc1 1871414869 QQSFYZIQZGQZFW-HUOUDGIMSA-N 445.902 5.918 30 10 IKEE O=C1/C(=C/C=C/c2ccccc2)Oc2cc(OCCOc3cccc4ccccc34)ccc21 1871415716 PTEGLJRIVRAOAU-IFAHAGCASA-N 434.491 6.470 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)c(Cl)c1 1871435893 FXQNAGUEFHSIIU-JJFYIABZSA-N 437.854 5.421 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccccc4OC)c3C)C2=O)cc1 1871458163 CSCPVJQFRVCXGT-IWIPYMOSSA-N 443.499 5.200 30 10 IKEE CCCCCCCCCCNC(=O)c1nonc1OCc1ccc(C(=O)OC(C)C)cc1 1872707586 YFLJARRFIJNESI-UHFFFAOYSA-N 445.560 5.084 30 10 IKEE N#C[C@@H](C(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2cccc3ccccc23)cs1 1872775268 MRFGJSAKZRHGQN-SFHVURJKSA-N 433.876 6.015 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H](CC)CCCCC)=C(c2cc(C)ccc2C)C1=O 1873150673 HBUFIXVKVUKRGK-QHCPKHFHSA-N 440.672 6.692 30 10 IKEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3cc(C)ccc3OCC)c(=O)oc2c1 1873928140 JCEHTMBINRMVKA-UHFFFAOYSA-N 435.520 5.335 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccc(CC)cc1 1874214483 OTFKGRGUTXJTLG-KOEQRZSOSA-N 441.000 5.666 30 10 IKEE CCCOc1cccc(/C=N/n2c(COc3ccc(Cl)cc3)nnc2SCC)c1 1874262970 ACKYLTITKUJIHS-OEAKJJBVSA-N 430.961 5.294 30 10 IKEE CCCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccccc1OC(C)C 1874271119 FYFUURIGEGYFER-OVVQPSECSA-N 444.604 6.194 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874342442 PYWDTKBKOZHTKB-CVKSISIWSA-N 439.028 6.370 30 10 IKEE Cc1ccccc1CSc1nnc(COCc2ccccc2)n1/N=C/c1ccccc1 1874353244 ZEZIOZPAMKEQNV-WGOQTCKBSA-N 428.561 5.478 30 10 IKEE Cc1ccsc1/C=N/n1c(SCc2cccc(F)c2)nnc1[C@@H](C)c1ccccc1 1874393613 RPAMLJCGURKAMT-YSGZUTGPSA-N 436.581 6.113 30 10 IKEE COc1cccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccccc2C)c1 1874406657 TVLOZFPUQRETRV-YZSQISJMSA-N 434.609 5.892 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2cccc3ccccc23)nnc1[C@H]1CCCO1 1874450314 YRQNIMQCZJNYOK-VUEBRRCKSA-N 428.561 5.766 30 10 IKEE Cc1ccc(CSc2nnc(C(F)(F)F)n2/N=C/c2ccccc2OC(C)C)cc1 1874458712 BPOWUEZDYUEDJG-BRJLIKDPSA-N 434.487 5.567 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCC3)n2/N=C/c2ccc3c(c2)OCCO3)c1 1874496004 PXDVTEMIDOBITM-AFUMVMLFSA-N 434.565 5.108 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2c(OCC(=O)NC3CCCCC3)ccc3ccccc23)c1 1874580536 SLXSNEVDDXFIFD-FOCLMDBBSA-N 441.571 6.180 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(F)c(C)c2)c1OCC(=O)Nc1ccccc1F 1874581397 LRRHZDKYIBSALT-ACCUITESSA-N 437.442 5.195 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1OCc1ccc([N+](=O)[O-])cc1 1874596943 LYGAZNBKDFIHKC-VIZOYTHASA-N 445.515 6.376 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OCCc1ccccc1 1874604020 QRDABGDIOHUWRK-FOWTUZBSSA-N 426.556 6.482 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccccc1Cl 1874606277 GEYNAQLKOKVYSW-UXBLZVDNSA-N 447.745 7.131 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OC 1874614740 XBCXKMGGGDTDMS-WUXMJOGZSA-N 429.944 5.272 30 10 IKEE C=CCOc1c(Cl)cc(/C=C/C(=O)c2cc(OC)c(Cl)cc2OC)cc1OCC 1874630953 CMPRRJPPZJDZAC-BQYQJAHWSA-N 437.319 5.870 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1C 1874636460 BDOBVHJUKHMJPK-UXBLZVDNSA-N 441.354 7.094 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3c(F)cccc3Cl)c2)cc1 1874696133 KFXTVHGQOBLDIB-DTQAZKPQSA-N 436.910 6.937 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 1874702978 TVQNNFHHYKXCGX-WUXMJOGZSA-N 431.444 5.336 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cc(Cl)ccc3OC)c2)cc1F 1874706992 JXIWOCMFKZAXCP-RMKNXTFCSA-N 440.854 5.612 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2cccc(/C=C/C(=O)c3cccc4ccccc34)c2)c1 1874708213 SFVCBEVXNKLHFD-BUHFOSPRSA-N 438.479 5.972 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccccc3[N+](=O)[O-])c2)c(C)c1C 1874711893 KQYBNIMIKPBECZ-ACCUITESSA-N 431.444 5.336 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC(=O)c1cccs1 1875094867 MJZFDTSHGSPJDR-ZHACJKMWSA-N 449.484 5.509 30 10 IKEE C[C@@H](C(=O)Oc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1)c1ccccc1 1875108752 DUUPPQQGGZOTBV-JDZKTDJGSA-N 435.317 6.054 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)c1cncc(C)c1 1875111277 CAFGQWDWAQQUPI-BQYQJAHWSA-N 442.298 5.821 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OC(=O)Cc1cccs1 1875112077 SHNUBZCRSKRASV-PKNBQFBNSA-N 426.921 5.844 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3ccccc3)c(OC)c2)cc1 1875129262 RXJHJXSGORJSPM-NTEUORMPSA-N 436.891 5.863 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3C)c(Cl)c2)c(C)c1 1875131962 XPASCTXIORZLIT-UKTHLTGXSA-N 432.947 6.700 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)[C@@H]1CCCO1 1875132567 IYQWJOXKKICFBT-MRSBXDGLSA-N 435.303 5.373 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)cc3)c(OC)c2)cc1 1875138894 IYKZIQLVYHRRCY-OQLLNIDSSA-N 444.527 5.837 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OC(=O)COC 1875149577 XJJDCTAJTKPFDC-KPKJPENVSA-N 430.928 5.484 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Br)c1OC(=O)C(C)(C)C 1875160010 VWJRMDAEYVLGES-BJMVGYQFSA-N 435.289 5.444 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C(C)(C)C)ccc3OC)cc2)c1 1875161288 IXQDQXIGVOZCRF-RVDMUPIBSA-N 444.527 6.117 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3cccs3)cc2)cc1C(C)C 1875163570 RKNMZVXCTCCPDE-FMIVXFBMSA-N 434.557 6.233 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(OC)c(Cl)cc2OC)cc(Cl)c1OC(C)=O 1875173529 IPOHYRGXNNKNMZ-VOTSOKGWSA-N 439.291 5.231 30 10 IKEE COc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1 1875182392 ATDNPCPTPNFFGW-SDNWHVSQSA-N 430.500 5.501 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)C(C)(C)C 1875183168 NOLWPRAOBKKUNS-MDZDMXLPSA-N 428.956 6.512 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C)c(OC)cc3C)cc2)cc1 1875186664 HCDHSJINVDCTFR-OVCLIPMQSA-N 430.500 5.826 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N1CCCCC1)n2CCC 1875204906 CNHKXRHSIVDSRU-UHFFFAOYSA-N 427.637 6.020 30 10 IKEE C=CCn1c(C(=O)N2CCCCCC2)cc2c(NCCCCc3ccccc3)ncnc21 1875229829 HDPWTAYBUBXUPN-UHFFFAOYSA-N 431.584 5.068 30 10 IKEE CC#CCC[C@H](NCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875651374 QBWIXNBMOIMSGB-WNJJXGMVSA-N 443.587 5.660 30 10 IKEE Cc1ccc(Nc2cc(Nc3ccc(NC(=O)c4ccnc(C#N)c4)cc3)nc(C)n2)cc1 1891762709 NNTDASJTAGHPFH-UHFFFAOYSA-N 435.491 5.100 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](O)c1cccc(Cl)c1Br 1922069219 OYOUZHQDYPYSJM-RTWAWAEBSA-N 438.793 5.277 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 1922086335 PKDFFBCQKMDORK-VXNXHJTFSA-N 430.633 5.459 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)[C@H]2CCC[C@@H]21 1926541055 FEOSGYPCLRAKGY-JXQFQVJHSA-N 427.545 5.110 30 10 IKEE C=CCC1([C@@H](NCC)c2cc(C)cc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 1926713420 UKXRILPHHKKHST-SFHVURJKSA-N 441.385 5.360 30 10 IKEE CC1(C)CC[C@@H](Nc2cc(Br)ccc2C#N)[C@H](CNC(=O)OC(C)(C)C)C1 1927070233 NTMSFFWYKURPEV-DOTOQJQBSA-N 436.394 5.452 30 10 IKEE CC1(C)C[C@H]([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)N(C(=O)OC(C)(C)C)C1 1945905141 BXKKQCJHKAOMAK-MOPGFXCFSA-N 435.609 5.484 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@]1(C#N)CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1949539274 OCTVKHYIXQECCY-XMMPIXPASA-N 435.609 5.343 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)C(C)(C)[C@H]1CCCN1C(=O)OC(C)(C)C 1950039421 AUNMOLZTNZDQKU-DHIUTWEWSA-N 430.633 5.553 30 10 IKEE C#CCCCC[C@H]1C[C@@H](C(=O)O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21 1952392962 CAFVYSMEFWTHCK-PMACEKPBSA-N 431.532 5.294 30 10 IKEE C#C[C@@H](NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)CC)C(C)(C)C 1992005934 FWBLMXJTHMMAQK-ZYKLXPEUSA-N 446.591 5.104 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@@](C#N)(N(CC3CC3)C(=O)OC(C)(C)C)C[C@H]21 2001953869 JLFGYLGKVHPJCP-KHCICDEESA-N 433.593 5.095 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@H]1CCN(C(=O)OC(C)(C)C)C12CCCC2 2008776039 WRDYOFKNSKCIKB-PKTZIBPZSA-N 428.617 5.307 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)NCC 2025199176 VTGHOKRUMNQNHL-QTJGBDASSA-N 430.633 5.601 30 10 IKEE CC(C)(CCC#N)CNc1cc(Br)c(Br)c(Br)c1 2034342052 QCVMQURMENMNCB-UHFFFAOYSA-N 438.989 5.716 30 10 IKEE C=CCN(CC[C@@H](Cc1ccc(Cl)cc1Br)NC)C(=O)OC(C)(C)C 2037967520 NCIYPJYECTXYHW-INIZCTEOSA-N 431.802 5.046 30 10 IKEE Cc1ccc([C@@H](C(C)C)n2nc(C(F)(F)F)c(C#N)c2I)cc1C 2079004432 RKAMPDJSVYIDNL-CQSZACIVSA-N 447.242 5.240 30 10 IKEE N#Cc1c(C2CCC2)nn2c(O)cc(-c3ccc(C(F)(F)F)c(Br)c3)nc12 2080829644 PQARTBIYPIOZDP-UHFFFAOYSA-N 437.219 5.022 30 10 IKEE C#CCN(C[C@H](NCCC)c1cc(Cl)cc(Br)c1)C(=O)OC(C)(C)C 2081558698 AITNGSZUMSMCMT-KRWDZBQOSA-N 429.786 5.014 30 10 IKEE O=C(O)CC(=NC(O)=C1C=C(c2ccc(-c3ccncc3)cc2)[CH]S1)c1ccccc1 2086896721 VUYDHYDXMVPEPX-UHFFFAOYSA-N 427.505 5.732 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](O)Cc2cc(Cl)c(C)c(Br)c2)C1 2126686237 YLJOTGKGXQBOOB-KRWDZBQOSA-N 444.797 5.175 30 10 IKEE CCCC#CC[C@H](NCCC)c1cc(Br)ccc1I 2138964753 ZIZDGUDVWWCEQO-INIZCTEOSA-N 434.159 5.288 30 10 IKEE CCN(Cc1cccc(Nc2ccc(C#N)c(Br)c2)c1)C(=O)OC(C)(C)C 2162423096 RFIAIAMTTXEZLN-UHFFFAOYSA-N 430.346 5.821 30 10 IKEE CCN(c1ccc(C#N)cc1Br)[C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 2174808494 OWISXNGFXQMWSE-AEFFLSMTSA-N 436.394 5.231 30 10 IKEE C=CCN(CC[C@H](NCCC)c1cc(Cl)c(Cl)cc1Cl)C(=O)OC(C)(C)C 2201287182 PKZKCJCYKGUFSY-SFHVURJKSA-N 435.823 6.501 30 10 IKEE CC(C)(C)OC(=O)Nc1cc([C@H](N)C#Cc2ccccc2Br)ccc1Cl 2227492786 GULMCSYPAGIXHW-QGZVFWFLSA-N 435.749 5.501 30 10 IKEE Cc1ccc(C#CC(=O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1 2231167533 REPFVANMSVUNSW-UHFFFAOYSA-N 432.519 6.387 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C 2235725024 GXIMMOGVFJOWST-OALUTQOASA-N 437.422 5.108 30 10 IKEE C=CC[C@@H](C)[C@@H](NCCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237428954 VETKLCTZFRFUJC-NSISKUIASA-N 439.438 5.465 30 10 IKEE C=CCCC1([C@@H](NCC)c2sccc2Br)CN(C(=O)OC(C)(C)C)C1 2255000169 ACKJYMINQNSFOH-INIZCTEOSA-N 429.424 5.365 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(Nc2ccc(Br)cc2)C[C@@H]1C(F)(F)F 2294636977 PPKMJXSWVZKOAU-PBHICJAKSA-N 448.283 5.085 30 10 IKEE Cc1c(OC(=O)c2ccc(Cl)cc2)ccc2c1OC(=Cc1cn(C)c3ccccc13)C2=O 2296872171 XZAFPBFHOUMQDZ-UHFFFAOYSA-N 443.886 5.976 30 10 IKEE O=C1C(=Cc2ccc([N+](=O)[O-])cc2)SC(=Nc2cccnc2Cl)N1c1ccccc1 2314540051 HSJJOLZWCZLKKX-UHFFFAOYSA-N 436.880 5.452 30 10 IKEE C=CCc1ccc(OCCCCn2c(C=Cc3ccccc3)nc3ccccc32)c(OC)c1 2314898875 DODGXMBZTWUDEW-UHFFFAOYSA-N 438.571 6.803 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC[C@](C#N)(N(C(=O)OC(C)(C)C)c3ccccc3F)C2)C1 2317524974 JVSAXOORBIYTSS-DEOSSOPVSA-N 445.535 5.251 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2cccc([N+](=O)[O-])c2)cc1 2318574890 VNRSYYFNKSTYKT-UHFFFAOYSA-N 443.532 5.260 30 10 IKEE Cc1nnc(SCc2ccc(Br)cc2)n1N=Cc1cccc2[nH]ccc12 2321758099 NDVRMUFTNWFXEP-UHFFFAOYSA-N 426.343 5.005 30 10 IKEE O=C1C(=Cc2cccc(F)c2)Oc2c1ccc1c2CN(CCc2c[nH]c3ccccc23)CO1 2321911322 MZBDHGXJKZPEJB-UHFFFAOYSA-N 440.474 5.318 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc3c2CN(Cc2ccc(Cl)cc2)CO3)C1=O 2321955364 ZLFARHAWSHRBED-UHFFFAOYSA-N 447.918 5.707 30 10 IKEE COc1ccc([C@@H](C)N2COc3c(cc4c(c3C)OC(=Cc3ccccc3C)C4=O)C2)cc1 2322437678 AZFNDHVYMMIDAO-LJQANCHMSA-N 441.527 5.841 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(C)cc2)c1OCC(=O)NCc1ccccc1 2322593636 WJXDRDAWQXHEDI-UHFFFAOYSA-N 449.934 5.248 30 10 IKEE Cc1c(OC(=O)c2ccc(C(C)(C)C)cc2)ccc2c1OC(=Cc1ccccc1Cl)C2=O 2322737800 RSPQOLULEBQOLL-UHFFFAOYSA-N 446.930 6.781 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(Cl)cc2C=CC(=O)c2ccc(C(C)C)cc2)c1 2322737891 LTBZVPNWCMWDCP-UHFFFAOYSA-N 447.962 6.685 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OC)c1OCc1ccc(Cl)cc1 2323026608 DAGIOYHLVHMKRK-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE C=CCOc1c(OC)ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)c1Br 2323044026 BMRUSYHKZKFRQV-UHFFFAOYSA-N 449.344 6.586 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1OCc1cccc(Cl)c1 2323049390 JSMQKFQTOSPZRE-UHFFFAOYSA-N 432.947 6.703 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2cccc(C=CC(=O)c3ccc4c(c3)CCCC4)c2)c1 2323057611 OACVYSTYMUYMQP-UHFFFAOYSA-N 439.555 6.096 30 10 IKEE Cc1cc(OC(=O)CCCOc2ccccc2)cc2c1C(=O)C(=Cc1cccc(Cl)c1)O2 2323177891 FMEIAEWDABNLHJ-UHFFFAOYSA-N 448.902 6.029 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)c(Br)c1OCCCO 2323190109 IISIQUVAFPYUHS-UHFFFAOYSA-N 447.369 5.413 30 10 IKEE Cc1cc(OC(=O)c2cccc(F)c2)cc2c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O2 2323301561 LDPRZKJWURAEAD-UHFFFAOYSA-N 430.475 6.267 30 10 IKEE COc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)ccc1OCc1ccccc1C 2323358399 MLGPVQKOHAPWDE-UHFFFAOYSA-N 434.535 7.146 30 10 IKEE COc1cc(C=Nn2c(S)nnc2-c2ccccc2)ccc1OCc1ccc(C)cc1 2323512114 BSGQBFXZJCHIGY-UHFFFAOYSA-N 430.533 5.012 30 10 IKEE CCCCC1CCC(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(F)cc2)C3=O)CC1 2323652113 NJLKZTZGKWHGBG-UHFFFAOYSA-N 436.523 6.652 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C)o2)C3=O)cc1 2324492563 LKGUVFFLEOIVPQ-KRWDZBQOSA-N 431.488 5.481 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OCC(=O)Nc2ccccc2)cc1 2324506210 YMQZYYZLRKYQEW-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OCCCO)c(Br)c1 2324514562 JWWXPKGGDRGCPI-UHFFFAOYSA-N 439.733 5.077 30 10 IKEE N#C[C@@H](C(=O)C=Cc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2324534780 KUYCFXBXSVIKGC-HNNXBMFYSA-N 433.747 6.660 30 10 IKEE Cc1ccc(OCCOc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2Cl)C3=O)cc1 2324537409 OIMRLKXGRQJFTC-UHFFFAOYSA-N 441.310 6.376 30 10 IKEE CCCOC(=O)COc1ccc(C=CC(=O)c2ccc(OC)c3ccccc23)cc1OCC 2324688352 XUDBBCNPZUFJJT-UHFFFAOYSA-N 448.515 5.475 30 10 IKEE Cc1cc(OCc2c(Cl)ccc(Cl)c2Cl)cc2c1C(=O)C(=Cc1ccccc1)O2 2325171728 KJVQWLYIHCOINF-UHFFFAOYSA-N 445.729 7.150 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1OC(=O)c1ccccn1 2325668926 SMPMNLDEQMXVMS-UHFFFAOYSA-N 435.479 5.873 30 10 IKEE COc1cccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(Cl)c(Cl)c3)c2)c1 2325707364 BETIPTBKXOTBLA-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE CC(C)c1ccccc1NC(=O)COc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O 2325726030 UBDYAIYEXSVEPT-UHFFFAOYSA-N 439.511 6.000 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2)cc1OC(=O)CC12CC3CC(CC(C3)C1)C2 2325731646 VQXKEOGCVOKGMJ-UHFFFAOYSA-N 430.544 6.103 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)CCc3ccccc3)c2)c(OCC)c1 2325762840 KNZAUXPVRRAOHD-UHFFFAOYSA-N 444.527 5.918 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccccc3Cl)c2)cc1Cl 2325768572 ANSJJPZQWWOCMF-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1cc(Cl)c(O)c(Cl)c1 2326251911 UGCUONWHPYGPGJ-UHFFFAOYSA-N 439.343 5.557 30 10 IKEE CCOc1cc(C=Nn2c(CC)nnc2SCc2ccc(C(C)(C)C)cc2)ccc1O 2326326470 OBLYQDBGAWTEOU-UHFFFAOYSA-N 438.597 5.417 30 10 IKEE CCCCCCCOc1ccccc1C=Nn1cnnc1SCc1ccc(C)cc1C 2326432701 BINQIILIECDZTR-UHFFFAOYSA-N 436.625 6.419 30 10 IKEE CCCOc1cccc(C=Nn2c(CCc3cccc4ccccc34)nnc2SC)c1 2326567612 ZLDZOUQLMYTLNR-UHFFFAOYSA-N 430.577 5.609 30 10 IKEE CCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1c(O)ccc2ccccc12 2326821264 RXWIFMNIJMOOSZ-UHFFFAOYSA-N 447.520 5.172 30 10 IKEE CCCCC1CCC(c2nnc(SCc3cc(C)ccc3C)n2N=Cc2ccc[nH]2)CC1 2328164217 QZLSWVMLEXACSK-UHFFFAOYSA-N 449.668 6.862 30 10 IKEE Clc1cccc(CSc2nnc(COCc3ccccc3)n2N=Cc2ccc[nH]2)c1 2329364024 JRQJWLFKBMYKKR-UHFFFAOYSA-N 437.956 5.151 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2Cl)n1N=Cc1cc(Cl)c(O)c(OC)c1 2329566862 QJMVCWNKKRZSMP-UHFFFAOYSA-N 449.363 5.517 30 10 IKEE CCCOc1ccccc1C=Nn1c(Cc2cccs2)nnc1SCc1ccccc1 2330389925 DJDRRRJVPYVOGD-UHFFFAOYSA-N 448.617 5.894 30 10 IKEE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc(C=CC(=O)c3ccccc3Cl)cc2)cc1 2330910774 ZAUXESJGQYZJMI-LJQANCHMSA-N 448.946 6.732 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@H]3CCCO3)n2N=Cc2ccccc2Cl)c1 2330961338 BMGWDILRBIKROT-HXUWFJFHSA-N 426.973 5.574 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)cc2)cc(OC)c1OC(=O)c1ccccc1F 2330986861 YDMRAHSVCFKZAH-UHFFFAOYSA-N 446.474 5.687 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCCC3)n2N=Cc2ccccc2C(=O)O)c1 2331072010 BMSJMDBATZIXER-UHFFFAOYSA-N 434.565 5.425 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 2331136520 RTYPNJCFRYKTKS-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE O=C(COc1cc(F)ccc1F)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1 2331141834 POEKHMJDCQMHQP-UHFFFAOYSA-N 428.818 5.499 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccco2)n1N=Cc1ccc(C(F)(F)F)cc1 2331174329 RDIANKWEGZVZDK-UHFFFAOYSA-N 442.466 6.040 30 10 IKEE O=[N+]([O-])c1ccccc1C=Nn1c(SCc2ccccc2Cl)nnc1-c1ccco1 2331211231 SEGTWTUUDBAHGA-UHFFFAOYSA-N 439.884 5.274 30 10 IKEE COCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1OC 2331237946 VEXLQNQCRDVMPX-UHFFFAOYSA-N 443.710 5.493 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(F)c3)c(Br)c2)cc1 2331271318 IWZFNTDSTKETJO-UHFFFAOYSA-N 439.280 6.012 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)CC1CCCCC1 2331276587 SPWCLGVSNZMWME-UHFFFAOYSA-N 440.967 6.819 30 10 IKEE CCc1ccc(C=Nn2c(CCOC)nnc2SCc2cccc3ccccc23)cc1 2331299357 XSVUVRFVDJBBAV-UHFFFAOYSA-N 430.577 5.357 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OCCC)cc2)cc1Cl 2331304859 MJCCFZVXFUIHBQ-UHFFFAOYSA-N 428.956 6.901 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OCCC)cc2)cc(OC)c1OC(=O)C1CCCC1 2331311520 PXZFDNWRICKJFD-UHFFFAOYSA-N 448.559 6.204 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc([N+](=O)[O-])c1OC(=O)CC(C)(C)C 2331342459 AGIPCQUDZMKZDW-UHFFFAOYSA-N 443.471 5.679 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2)cc1 2331489955 NJUHCARCNHOFCC-UHFFFAOYSA-N 442.555 6.643 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)c1ccc(F)cc1 2331555785 YWKFCPXHBNGGSZ-UHFFFAOYSA-N 442.389 5.236 30 10 IKEE COCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(C(C)(C)C)cc1 2331611875 SQNQGKWADPCNMD-UHFFFAOYSA-N 428.989 5.550 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)Cc1ccc(Cl)cc1 2331780116 FQAJTLOZMKQMGP-UHFFFAOYSA-N 448.946 6.318 30 10 IKEE CC1(C)C[C@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)[C@@H]1OCc1ccccc1 2339547400 PWUHNUQHNRVJFD-VWNNZZOCSA-N 434.389 5.522 30 10 IKEE C[C@H](CCCN(C)C(=O)OC(C)(C)C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339593947 NAYHUEHNQUFZSX-GOSISDBHSA-N 446.397 5.141 30 10 IKEE Cc1cc(OCc2ccccc2)ccc1Nc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2345716010 WUKQZLHYOXQGDT-UHFFFAOYSA-N 434.320 5.151 30 10 IKEE CC[C@H](N[C@H]1CCCN(Cc2ccccc2)CC1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363836689 PYBMFGALQNPZPE-UIOOFZCWSA-N 448.460 5.081 30 10 IKEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(C)c(C)c(Br)c(C)c1C 2375346743 FGKZJWJNHPIEHZ-YLJYHZDGSA-N 437.422 5.250 30 10 IKEE C=CCOc1ccc(Br)cc1/C=C1/SC(=N)N(c2ccc(F)cc2)C1=O 2155154 XPDIZTQXAOYALJ-CDLNYGKDSA-N 433.302 5.209 30 10 IKEE C=CCNC(=O)c1cccc2c1N[C@H](c1ccccc1OCc1ccccc1)[C@H]1CC=C[C@H]21 14476558 GTKFYTJGJSGTTP-BERHBOFZSA-N 436.555 6.008 30 10 IKEE CCCCCSc1nc2n(n1)[C@H](c1ccc(OC)cc1)C1=C(CC(C)(C)CC1=O)N2 20850231 NMLGVKZAYABCJW-HXUWFJFHSA-N 426.586 5.227 30 10 IKEE Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 20882988 XGJRNUDSLSFWRZ-BCHFMIIMSA-N 425.488 5.883 30 10 IKEE CC[C@@H](C)Oc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 20883798 QMYZHVOKBCTQRT-QMALHXIISA-N 444.600 6.905 30 10 IKEE CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(C(F)(F)F)cc2)cc1 21245552 MGQPRNGSQLABSM-FXAWDEMLSA-N 441.493 6.007 30 10 IKEE CCc1cccc(NC(=NC(=O)c2ccc(Cl)cc2)N2CCN(c3ccccc3)CC2)c1 32946176 MYCCBXNBDXDKJW-UHFFFAOYSA-N 446.982 5.333 30 10 IKEE CCn1nc(C)c(CN/C(=N/C(=O)c2cc(C)cc(C)c2)Nc2ccc(C)cc2C)c1C 32972025 FFMCGBNKNLOXLS-UHFFFAOYSA-N 431.584 5.152 30 10 IKEE O=C1/C(=C2/Sc3c(Cl)ccc(Cl)c3C2=O)Sc2c(Cl)ccc(Cl)c21 33650435 KZFMOINJHMONLW-NXVVXOECSA-N 434.152 6.789 30 10 IKEE CCOc1ccc(C(=O)/C=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 33909923 QMIRZNGEMIBCFH-RZNTYIFUSA-N 427.327 6.867 30 10 IKEE C/C(=C1/S/C(=N/c2ccncc2Cl)N(c2ccccc2)C1=O)c1ccc(C)c(C)c1 39864563 DIOPCPDBUWLWHK-LNBBTWALSA-N 433.964 6.551 30 10 IKEE C=C(C)C(=O)N[C@@H](C)c1nc2ccccc2n1CCCOc1cc(C)c(Cl)c(C)c1 40191154 QRNCQOMOZSZJMF-SFHVURJKSA-N 425.960 5.529 30 10 IKEE Cc1ccc(C(C)C)c(OCC(=O)Nc2sc(=S)c3c(c2C#N)CC[C@@H](C)C3)c1 41014043 STKBCPMVSFVYHD-CQSZACIVSA-N 426.607 5.923 30 10 IKEE CCCCCCCOc1cccc(NCC(=O)Nc2cccc(C(=O)NC(C)C)c2)c1 100090211 BGROGOXBZYRTBA-UHFFFAOYSA-N 425.573 5.225 30 10 IKEE CCOc1ccc2nc3c(cc2c1)CN(Cc1ccc(F)cc1)/C(=N/Cc1ccco1)S3 101502884 STQKWGYBPXRJFQ-RFBIWTDZSA-N 447.535 6.030 30 10 IKEE COc1cccc([C@@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2c2ccc(C)c(Cl)c2)c1 102589218 UMQVFVJDTWTEQV-RKKARLDVSA-N 433.891 5.283 30 10 IKEE CCn1cc(/C=C2\Oc3c(ccc(OC(=O)/C=C/c4ccccc4)c3C)C2=O)c2ccccc21 102738278 DQNPXMGSPSHECL-ALXOLRSRSA-N 449.506 6.205 30 10 IKEE CCCCCCCCC(=O)N(CC(=O)N(Cc1ccccc1)Cc1cccn1C)C1CC1 103405685 FEKQMACXKKZJSJ-UHFFFAOYSA-N 437.628 5.296 30 10 IKEE CCCCCCCCCCCCCC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 104901038 HSZZMKHTTKOZIO-UHFFFAOYSA-N 436.665 8.603 30 10 IKEE CCCCCCCCCCOC(=O)c1ccccc1C(=O)Nc1cccc2ccccc12 105415724 NWEVFCFDEGDHPU-UHFFFAOYSA-N 431.576 7.390 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccc(Cl)c(Cl)c1 135879691 JBJBWKDMUKVWIJ-KSEXSDGBSA-N 439.799 6.365 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2cccc(OC)c2)c1 169928799 OWEYTGZDDMXEEF-HSZRJFAPSA-N 447.462 5.016 30 10 IKEE CCCN1C(=S)N[C@@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C2=C1CCCC2=O 169929806 UIUOEUFGUFCTQQ-NRFANRHFSA-N 428.642 5.636 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2c2cccc(C)c2)c1 169930819 QFIXBZBWDOIYBP-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CCN1C(=S)N[C@@H](c2cccc(OC)c2OCc2cccc(Cl)c2)C(C(C)=O)=C1C 169933322 IDWCOTDYURNYRP-NRFANRHFSA-N 444.984 5.042 30 10 IKEE CCCCCCCCCOc1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1OCC 169943445 XAXFSEVXLFLLHH-UHFFFAOYSA-N 425.529 6.666 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2cccs2)c1 169981669 BXXGPRIFCRYRNI-QFIPXVFZSA-N 444.512 5.411 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccccc1F)c1ccc(F)cc1 170070465 WAKSVMDYBTWTSH-FQEVSTJZSA-N 425.818 5.401 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@H]1c1sccc1C 170106298 NOSPELAJLWVPCI-JOCHJYFZSA-N 447.556 5.773 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1CCCOC(C)C 170107697 SWQCPFNWGVZDMV-QFIPXVFZSA-N 449.572 5.603 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1cccc(OC)c1 170121237 UPUDUQLEJRBIKY-QFIPXVFZSA-N 449.503 5.219 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2cccc(C)c2)cc1C 170140304 AUROGEOVTLYFBX-XMMPIXPASA-N 445.490 5.624 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@@H]1c1cccc(C)c1 170146948 FYVUVEPBJPOBPC-NRFANRHFSA-N 446.572 5.805 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2cccs2)cc1 170167000 IKSMZCZQOVQJLW-NRFANRHFSA-N 437.492 5.064 30 10 IKEE CCCOc1ccc(C2=C(Nc3ccc(C)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170174103 WMZPQCDPHWGSEK-UHFFFAOYSA-N 437.499 5.052 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1cccnc1)c1ccc2c(c1)CCCC2 170191877 SCDHUTFIPIFLLS-HSZRJFAPSA-N 446.453 5.022 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1cccc(OCC)c1 170218187 CVTJKEAAFNRMQE-OAQYLSRUSA-N 439.895 5.473 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccccc2)c1 170227831 BOVNQEVPFFLNIU-DEOSSOPVSA-N 443.499 5.271 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1)c1c[nH]c2ccccc12 170238447 AOOOEEWQUKSSLH-JOCHJYFZSA-N 430.410 5.229 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2F)cc1 170249158 CWWIQXJRPRSRTO-HSZRJFAPSA-N 431.463 5.396 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@H]1c1ccccc1F 170252527 KTKCISOELNJEFO-LJQANCHMSA-N 446.316 5.275 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccco2)cc1C 170284936 MVTUTYHKWZFCSX-DEOSSOPVSA-N 427.500 5.558 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2sccc2C)cc1 170314619 BJNQHXBNFUZJQO-NRFANRHFSA-N 449.528 5.334 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1sccc1C 170318804 VDAUJHJUWMTCMD-HXUWFJFHSA-N 427.566 5.531 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1sccc1C 170319793 WTWNPZYHRLICKK-SFHVURJKSA-N 445.968 5.548 30 10 IKEE C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1cc(C)ccc1C 252614479 JKBFETATFPMYJS-HXUWFJFHSA-N 441.984 5.412 30 10 IKEE CCOC(=O)c1[nH]c2ccc(OCC)cc2c1C=NN(c1ccccc1)c1ccccc1 252622614 NZEQKBVZJTZYTG-UHFFFAOYSA-N 427.504 5.916 30 10 IKEE CC(=O)ON=C1C=C2CC[C@H]3[C@@H](CC[C@]4(C)[C@@H]3C[C@@H]3CCCC[C@]34C(C)=O)[C@@]2(C)CC1 254371982 LQJAXDXIQDWPOB-RHWVCGSQSA-N 425.613 6.244 30 10 IKEE Cc1ccccc1N=C1S/C(=C2\Sc3ccccc3N2C)C(=O)N1c1ccccc1 254393074 CMBZBZZQESHYBG-SEYIQKDNSA-N 429.570 6.174 30 10 IKEE COc1ccc(C=NOCc2nc3c4c5c(sc4ncn3n2)C[C@@H](C(C)(C)C)CC5)cc1 254819627 XMHJAHMAVCZNBK-INIZCTEOSA-N 449.580 5.049 30 10 IKEE C=CCCCCCC[C@](CC)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 396516034 KGBQQGCWMZVWLV-MHZLTWQESA-N 435.564 6.285 30 10 IKEE NC(=S)N(/N=C/c1ccccc1OCc1ccc(Br)cc1)c1ccccc1 514250900 MKHMEWRVNXZYDY-ZVHZXABRSA-N 440.366 5.112 30 10 IKEE CCCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccc(F)cc2)cc1Cl 526801127 BEMXHLJJUVLISQ-CFRMEGHHSA-N 432.952 5.596 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccc(O)c(Cl)c2)cc1 526806042 XHTJUHUOOAEAAH-YSMPRRRNSA-N 448.979 5.711 30 10 IKEE COc1c(Cl)cc(/C=N\n2c(C)nnc2SCc2cc(C)cc(C)c2)cc1Cl 526809997 SSOYCUNDCVSKOF-RMORIDSASA-N 435.380 5.693 30 10 IKEE CCCOc1c(/C=N\n2c(CC)nnc2SCc2ccc(C)cc2C)cccc1OC 526811731 RCFJVRGYEYEZJD-MYYYXRDXSA-N 438.597 5.429 30 10 IKEE COc1ccc(Cl)cc1S(=O)(=O)N(Cc1cccc(C#N)c1)[C@@H](C)c1ccccc1 586156272 MDXKCTMJWSPYGI-KRWDZBQOSA-N 440.952 5.172 30 10 IKEE C#CCN(C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(CCCCCC)cc1 586180728 FKXBWHSDKYYBQM-UHFFFAOYSA-N 445.628 6.223 30 10 IKEE C=CCN(CC=C)C(=O)Nc1cccc(C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)c1 586686015 WSSAGGDYQQSZQY-UHFFFAOYSA-N 448.548 5.277 30 10 IKEE C=CCCCCC[C@H](NCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 693694862 YMOKVLYDWIHSMW-JYFHCDHNSA-N 429.649 5.270 30 10 IKEE COCc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)cc1 710708474 OOVYSEAGDIOYND-LJQANCHMSA-N 431.330 5.602 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)CC1(C)C 710792511 GAHJCUHPBFSJPW-DEOSSOPVSA-N 429.561 5.500 30 10 IKEE CCCCCOC(=O)CSc1n[nH]c(NN=Cc2c3ccccc3cc3ccccc23)n1 1084389460 SOAIGFQFYIHFMV-UHFFFAOYSA-N 447.564 5.383 30 10 IKEE C[C@H](CCc1ccccc1)/N=C(/Nc1ccccc1O)N1CCN(C2CCCCC2)CC1 1088736271 RAZXAVODZJIOKR-JOCHJYFZSA-N 434.628 5.132 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)c1ccc2nc(CC)[nH]c2c1)[C@H](C)CC 1860963436 FOYDUVYGLUUDDD-DVECYGJZSA-N 442.648 5.527 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 1861120655 QVQMBYSFUAXZJM-BBIZSYTBSA-N 445.604 5.540 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2cccc3ccccc23)n(-c2cccc3ccccc23)n1 1862371218 MUAYPVVETPYGAF-UHFFFAOYSA-N 443.550 6.660 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C[C@H](C)O)cc1 1862381219 UXNKMXQMYUOBHC-RNODOKPDSA-N 448.346 5.076 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(C)cc2)cc1C 1862400867 OMUIOFMFXQTEFV-QFIPXVFZSA-N 433.529 5.152 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccc(F)cc2)cc1C 1862402488 ZUBUTXDGVIOMRO-HSZRJFAPSA-N 449.453 5.060 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(C(C)(C)C)cc1 1862405291 OOUYADWVPXPOBM-XMMPIXPASA-N 449.591 6.070 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccccc2C)c1 1862490214 QAKJMTPYCBWJPU-AREMUKBSSA-N 439.555 6.007 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(OCCC)cc1 1862494397 AISPDWUCGVLEGD-VWLOTQADSA-N 449.591 6.251 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1F 1862505698 RHPVOBAWQGANMF-HSZRJFAPSA-N 437.555 6.056 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862508707 OMFNSNMBDHIZQB-YJYMSZOUSA-N 435.417 5.530 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2cccs2)cc1 1862561301 SICGPLYSPBDRCG-QFIPXVFZSA-N 432.545 5.232 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(O)c(OC)c1 1862619941 GZKSBBJZPNWQBQ-NYHFZMIOSA-N 437.536 5.075 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccc(Cl)cc2)[C@@H]1c1ccccc1)c1ccc(F)cc1 1862672691 QHXYTJHDDFYFQG-JOCHJYFZSA-N 435.882 5.300 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2cccc(C)c2)c1 1862698712 LQMZJNRHNFRWIS-DEOSSOPVSA-N 427.500 5.091 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862713579 REVVTHIGFNFYOM-SANMLTNESA-N 439.555 6.449 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2Cl)[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 1862748218 WAKKLHJGZUCPKP-NRFANRHFSA-N 448.862 5.027 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(OC)c2)=C(c2c[nH]c3ccccc23)C1=O 1863486312 PTHLLFANLNDWST-UHFFFAOYSA-N 445.563 5.729 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2c[nH]c3ccccc23)C1=O 1863493082 XEPSOGFFHQIAOA-FQEVSTJZSA-N 440.547 5.590 30 10 IKEE CC(C)c1nc(Nc2ccc(C#N)cc2)cc(N2CCC[C@@H]2c2nc3ccccc3s2)n1 1868243186 WRJRLZZIDRJCCF-HXUWFJFHSA-N 440.576 6.166 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3nc[nH]c3[C@H]2C(C)C)nc(-c2ccccc2Cl)n1 1869250663 MHDDLDMAOOFYBP-XMMPIXPASA-N 449.002 5.458 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(OC)cc2)c(CSC(C)(C)C)cc1=O 1870259942 QEWYMSMVSVFACG-UHFFFAOYSA-N 431.642 6.286 30 10 IKEE CCCCCCCOc1cn(CCCCCCO)c(CSCc2ccccc2)cc1=O 1870260007 TUJVAFPDNRPWAV-UHFFFAOYSA-N 445.669 6.184 30 10 IKEE Cc1nc(SCc2cc(=O)c(OCC(C)C)cn2Cc2ccccc2)c(C#N)c(C)c1C 1870262144 APUJKQFBRMUEOO-UHFFFAOYSA-N 447.604 5.416 30 10 IKEE CCCCCCCCn1cc(OCC2CCCCC2)c(=O)cc1CSc1nccn1C 1870275686 DUZGUEJVPJGYLD-UHFFFAOYSA-N 445.673 6.194 30 10 IKEE C=CCn1cc(OCc2cccc(C)c2)c(=O)cc1CN1CCC(Cc2ccccc2)CC1 1870619571 OYDIOEONNFVECF-UHFFFAOYSA-N 442.603 5.376 30 10 IKEE CCCCCCCOc1cn(Cc2ccco2)c(CNc2cccc(Cl)c2C)cc1=O 1870837760 XEVAKYLZQMBKFF-UHFFFAOYSA-N 442.987 6.413 30 10 IKEE CCCCCCCOc1cn(Cc2ccccn2)c(CNc2ccc(OC)cc2)cc1=O 1870838310 YAXCLZPCULOJRE-UHFFFAOYSA-N 435.568 5.262 30 10 IKEE C=CCn1cc(OCc2cccc3ccccc23)c(=O)cc1CNc1ccc2nc[nH]c2c1 1870918507 HMTPHNBTBZSQRY-UHFFFAOYSA-N 436.515 5.255 30 10 IKEE Cc1cccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCc2ccc(Cl)cc2)C4)c1 1871344641 QFIDBFNQFLNIAP-OYKKKHCWSA-N 445.946 5.968 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc3c2CN(CCc2ccc(C)cc2)CO3)C1=O 1871348186 WQEFCEIJOAQQQR-QQXSKIMKSA-N 441.527 5.405 30 10 IKEE Cc1cc(OC(=O)/C=C/c2ccc(F)cc2)cc2c1C(=O)/C(=C/c1ccccc1Cl)O2 1871366167 VTCARLJYYUFRGN-YAWPGIFISA-N 434.850 6.023 30 10 IKEE Cc1c(OC(=O)c2cccc3ccccc23)ccc2c1O/C(=C\c1ccc(Cl)cc1)C2=O 1871378054 SQBCBJQUUPLERF-IWIPYMOSSA-N 440.882 6.637 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)c4cc(Cl)ccc4Cl)ccc3C2=O)cc1 1871381583 WYXRCQHHESGYLD-JJFYIABZSA-N 439.294 6.391 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(C)c2)C3=O)c(OC)c1 1871386772 MKZUYOCEGAWAMA-QRVIBDJDSA-N 430.456 5.156 30 10 IKEE Cc1cc(O)c(CN2C[C@@H](C)C[C@@H](C)C2)c2c1C(=O)/C(=C/c1c(Cl)cccc1Cl)O2 1871396840 YEJBOWMVRDWRGL-YHRJSEKKSA-N 446.374 6.102 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccccc4Cl)ccc3C2=O)cc1 1871404399 LGGZCKKDSGQCNV-GEWRUKCFSA-N 433.891 5.671 30 10 IKEE Cc1cc(C)c(COc2ccc3c(c2C)O/C(=C\c2cn(C)c4ccccc24)C3=O)cc1C 1871417157 FHMWDRCHSRAIOI-VYYCAZPPSA-N 437.539 6.607 30 10 IKEE CCc1ccc(NC(=O)[C@H](CC)Oc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871425702 NGSAFJZCGMRQBK-GEGYVFIFSA-N 445.490 5.800 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(-c2ccccc2C)cc1)[C@H](C)CC)S(=O)(=O)CC 1872216368 VRWHPNLHNZOBQN-DVECYGJZSA-N 442.625 5.243 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cc(C)ccc1C)C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1872550672 ZUPDNRIDUAKHRH-JOCHJYFZSA-N 449.016 5.187 30 10 IKEE COc1ccc(-c2nc([C@@H](C#N)C(=O)CSCc3ccccc3)sc2C)c(OC)c1 1872728327 XJQYOTQMQKVTLG-IBGZPJMESA-N 438.574 5.245 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(CCC)cc3)n2)cc1 1872764943 BVLPEDNWFYVZKI-HSZRJFAPSA-N 432.589 6.360 30 10 IKEE COc1ccc(OC)c(-c2csc([C@H](C#N)C(=O)c3cc(Cl)ccc3Cl)n2)c1 1872771078 LUSRJYODOZROFW-OAHLLOKOSA-N 433.316 5.624 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3cc(OC)ccc3OC)cs2)cc1 1872771497 WDMPVVKMQFRMKP-OEMHODTASA-N 434.517 5.116 30 10 IKEE COc1ccccc1C(=O)[C@H](C#N)c1nc(-c2cc(Cl)cc(Cl)c2OC)cs1 1872778453 LOQOBFKPULSOBB-AWEZNQCLSA-N 433.316 5.624 30 10 IKEE COc1cc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(F)c(C)c3)n2)c(OC)cc1Cl 1872783220 UVDOLYFNGRVTMH-HNNXBMFYSA-N 444.915 5.347 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3cccc(C)c3C)n2)cc1Cl 1872785206 IHHFVMIXROJLOE-INIZCTEOSA-N 426.925 5.344 30 10 IKEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)N[C@@H](CC)CCCCC)cc2[nH]1 1872807763 DIMOVNWICUQEND-FQEVSTJZSA-N 435.568 5.795 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(Cl)ccc2C)=C(c2ccccc2C)C1=O 1873305838 YHAORLKSIOYRPO-UHFFFAOYSA-N 438.999 6.509 30 10 IKEE N#Cc1nc([C@H]2C[C@@H]2c2ccccc2)oc1N/N=C/c1ccccc1OCc1ccccc1 1873471046 VHQSYICHHYRWDB-SIJSCCCSSA-N 434.499 5.842 30 10 IKEE CCCCSc1nnc(CCC)n1/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 1873501187 NZCANMSSXBASHP-PCLIKHOPSA-N 443.016 6.237 30 10 IKEE C=CCn1c(C(=O)NCCCCCCCCCC)cc2c(N(CC)CCCC)ncnc21 1873595127 PKGMHIBCTKJCNK-UHFFFAOYSA-N 441.664 6.114 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(N(C)C)c2)cc2c(N(CCCC)CCCC)ncnc21 1873662190 FYWNCLFATSTZGP-UHFFFAOYSA-N 448.615 5.342 30 10 IKEE CCSc1nnc(COc2c(C)cccc2C)n1/N=C/c1ccc(Cl)c(Cl)c1 1874299718 PGZRKVAPVBOWFQ-FOKLQQMPSA-N 435.380 5.775 30 10 IKEE Clc1ccccc1CSc1nnc(CCOc2ccccc2)n1/N=C/c1ccco1 1874346569 VSNJQESGQDXVJD-BUVRLJJBSA-N 438.940 5.321 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2cccs2)n1/N=C/c1cccc(O)c1 1874368695 ODIHKMVPVJSFSR-BUVRLJJBSA-N 434.590 5.313 30 10 IKEE Cc1ccccc1CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1cccc(Cl)c1 1874392545 OYTOQEJBADPTMV-FQNOVECQSA-N 447.007 6.566 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2ccccc2)n1/N=C/c1ccccc1F 1874398393 DMUMMRQBRKDSBV-WPWMEQJKSA-N 430.552 5.685 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCCc2ccccc2)n1/N=C/c1cccc(O)c1 1874400094 IQSSMPQIZLZBGF-FIKCODCVSA-N 428.561 5.353 30 10 IKEE Cc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2cccc(Cl)c2)cc1 1874404038 FWUGSWLJQULXMS-WPWMEQJKSA-N 447.007 6.200 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccccc1 1874440659 NFJIKWXGGZQFAB-ZMOGYAJESA-N 433.408 6.348 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2C(F)(F)F)c1 1874458893 LCNUVDSAIPBTLZ-DHRITJCHSA-N 434.487 5.569 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1cccc(OCCC)c1 1874478917 ZHEBZPZKIDLBNC-PCLIKHOPSA-N 443.016 6.237 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(N(C)C)cc1 1874479667 LFOGHUVAOZXONC-BUVRLJJBSA-N 428.005 5.515 30 10 IKEE Cc1nnc(SCc2ccccc2F)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874531353 FIKFZXRROJNKSS-CVKSISIWSA-N 446.507 5.119 30 10 IKEE CCSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1/N=C/c1cccc(C)c1 1874540406 NYJZJMPLNYPKPX-ZVHZXABRSA-N 449.407 5.899 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c1OCc1ccccc1C 1874571786 GNPXGXOPBPSFFT-BUHFOSPRSA-N 446.974 7.011 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2cccc3ccccc23)cc1C 1874574617 WKSIEMYZDJYHHL-JQIJEIRASA-N 438.523 6.641 30 10 IKEE CCc1ccccc1NC(=O)COc1c(/C=C/C(=O)c2cccc(Cl)c2)cccc1OC 1874577178 AAAHIWDJRMVNAT-CCEZHUSRSA-N 449.934 5.825 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccccc1OCC(=O)Nc1nccs1 1874589249 BLLQMMDOQLJJHX-BQYQJAHWSA-N 442.924 5.027 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OCc1nc(O)c2ccccc2n1 1874595563 RWKOPRBJNQKTPN-PKNBQFBNSA-N 446.890 5.473 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)c1 1874597212 ZTGVJLJFKQACOT-UXBLZVDNSA-N 443.326 6.486 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cccc(OCC(=O)Nc2ccc(C)cc2)c1 1874600571 STLHKVIRONGKST-FMIVXFBMSA-N 449.934 5.879 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1ccccc1 1874602664 XVOFZZWUQNDNAB-BUHFOSPRSA-N 429.472 5.807 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(OC)c1OCCc1ccccc1 1874621631 MOVYULQTCTZHAE-ZRDIBKRKSA-N 442.511 5.670 30 10 IKEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2OC)o1 1874625320 XLRNZDZVPZKHBN-LFYBBSHMSA-N 434.488 5.673 30 10 IKEE Cc1ccccc1COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1Cl 1874635640 REPWDGVOBCMCMX-SDNWHVSQSA-N 432.991 7.729 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)cc1 1874697185 VNDWRVKPSOTFIS-LFYBBSHMSA-N 447.443 5.036 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1OC(=O)CC1CCCCC1 1874706614 QKCQGRWZBIBZPA-JXMROGBWSA-N 436.504 5.238 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)C2(c3ccc4c(c3)OCO4)CC2)c1)c1ccc(F)c(F)c1 1874710573 DWDFPSPJWHNBOO-XBXARRHUSA-N 448.421 5.227 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Br)c(OC(=O)C(C)(C)C)c(OC)c2)c1 1875101057 NTLNKAONQCJIMM-MDZDMXLPSA-N 447.325 5.314 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 1875101340 LNKHIIBBAAFMQJ-MKMNVTDBSA-N 431.444 5.281 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3cc4ccccc4n3C)c(Cl)c2)c1 1875101965 JUPDTKSCMZCBCL-ZRDIBKRKSA-N 445.902 5.956 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(OC)cc3)cc2)cc1 1875106794 LDHJVNNONBPGMH-VXLYETTFSA-N 444.527 5.918 30 10 IKEE Cc1ccsc1C(=O)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1Br 1875128089 MKUXKOZCKQXDQF-VQHVLOKHSA-N 427.319 5.934 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2OCC)cc1 1875128881 ZLTHKZQEUXBRFJ-FOWTUZBSSA-N 444.527 5.918 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])c([N+](=O)[O-])c2)c(C)c1 1875134734 IEQVHQBANISOOB-DHZHZOJOSA-N 446.415 5.235 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OCC 1875142716 QNUOCCGHYBHNEE-FOWTUZBSSA-N 440.555 7.085 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3ccccc3)cc2)cc1 1875148575 IJJHMVRNZYJFFX-DEDYPNTBSA-N 442.555 6.645 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1OC(=O)CC(C)(C)C 1875165821 ASAGYZOVRNWXGF-MDZDMXLPSA-N 442.983 6.820 30 10 IKEE COc1cc(C(=O)/C=C/c2ccc(OC(=O)c3cccs3)cc2)c(OC)cc1Cl 1875172656 GGVCFENPODSDPL-JXMROGBWSA-N 428.893 5.534 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)Cc1ccccc1 1875174731 GINCOZYVWNRRMJ-ACCUITESSA-N 448.946 6.400 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc([N+](=O)[O-])c1OC(=O)C1CCCC1 1875176506 GVFHKTFMMWABAK-ZRDIBKRKSA-N 437.492 5.602 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc(OC)c1OC(=O)C(C)(C)C 1875191505 PIQWCKPNMMDDGL-RMKNXTFCSA-N 437.319 5.858 30 10 IKEE O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1Br 1889902515 BFIKTDLSTRJTFL-UHFFFAOYSA-N 430.117 5.878 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)CCc3ccccc3C(F)(F)F)cc21 1890620641 SWFNIEAUHJTZRD-UHFFFAOYSA-N 446.469 5.214 30 10 IKEE CN(CC#CCNC(=O)c1cc(Cl)c(Cl)c(Cl)c1Cl)Cc1ccccc1 1891933724 UVQJJYSKKBRACD-UHFFFAOYSA-N 430.162 5.165 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)[C@@H]2CCC[C@H]21 1926556877 ZKLGTEMSBCNFGY-PNCHPQGNSA-N 447.601 5.167 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1943912920 QEGZXXJDBYFGJM-JPYJTQIMSA-N 449.979 5.811 30 10 IKEE C#C[C@@H](NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC)C(C)(C)C 1984778325 FWBLMXJTHMMAQK-MUEKUWCCSA-N 446.591 5.104 30 10 IKEE C=CCCCCCCCCC[C@@H](N)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2026312379 HLCIVOJYJCBUSR-RUZDIDTESA-N 430.677 7.228 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@H]1C[C@H](C(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2038747251 UXFBYLGFIWAOBV-HJOGWXRNSA-N 444.660 5.657 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)C23CCC3)cc1 2057186616 YYUGKTWYQZQNIZ-RUZDIDTESA-N 441.572 5.562 30 10 IKEE C#CC(C)(C)C[C@@H](N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071362189 ZVYFOLHTPBNMSM-SQHAQQRYSA-N 429.560 5.255 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)Cc2cc(Cl)c(C)c(Br)c2)C1 2077082328 KNIFCIZNGFXDJN-UHFFFAOYSA-N 428.754 5.136 30 10 IKEE CC(C)(C)c1nn([C@@H](c2ccc(C3CC3)cc2)C2(C)CC2)c(Br)c1/C=N/O 2079070034 ZXWXLXDTEPOOPB-BBMHEYIBSA-N 430.390 6.018 30 10 IKEE CC(C)[C@@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C2CCC2)c(C#N)c1Br 2080004227 XNOVTYVRGZFPSQ-KRWDZBQOSA-N 444.270 6.188 30 10 IKEE COc1ccc([C@@H](C2CCC2)n2nc(C3CCC3)c(C#N)c2I)cc1 2080053964 XMONRNPAFPNWLF-LJQANCHMSA-N 447.320 5.025 30 10 IKEE Fc1ccc(-c2c(C(F)(F)F)nn3c(Cl)c4c(nc23)CCCC4)c(C(F)(F)F)c1 2081250168 PKUGNCBDZJLIHX-UHFFFAOYSA-N 437.746 6.105 30 10 IKEE C=CCCCCCC[C@H](NC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2085854610 QVSXPPGCWQIGTD-DEOSSOPVSA-N 443.676 5.661 30 10 IKEE CN[C@@](C#N)(CCCN(CCN(C)Cc1ccccc1)Cc1ccccc1)c1ccccc1 2095876821 CYNPOJPZVNWCHA-GDLZYMKVSA-N 440.635 5.039 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)cc(C)cc1Br 2116827600 BZXQVLODLPWVEC-FUHWJXTLSA-N 429.374 5.407 30 10 IKEE C=CCN(CC[C@@H](NCCC)c1c(F)cccc1Br)C(=O)OC(C)(C)C 2116830965 URCDQXUKJYCECV-QGZVFWFLSA-N 429.374 5.442 30 10 IKEE C=CCCCC[C@@H](NCCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2123084647 LXNNAMLCUFFMFE-GOSISDBHSA-N 425.411 6.583 30 10 IKEE C=CCCCC[C@H](NCCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2123084648 LXNNAMLCUFFMFE-SFHVURJKSA-N 425.411 6.583 30 10 IKEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNc2ccc(C#N)c(Br)c2)cc1 2162316923 ULUWQXYFRCAZSI-CQSZACIVSA-N 430.346 5.519 30 10 IKEE CC(C)(C)OC(=O)NCCC[C@@H]1CCCCN1c1ccc(C#N)c(Br)c1F 2174808118 KKUPKJYATVURFY-HNNXBMFYSA-N 440.357 5.124 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(C#N)cc2Br)c2ccccc21 2174810962 RXTGXBJKRYCESD-QGZVFWFLSA-N 428.330 5.428 30 10 IKEE CC(C)(C)OC(=O)NC1(CNc2ccc(C#N)cc2Br)CCC(F)(F)CC1 2201479442 DQEALZQFHMAEKT-UHFFFAOYSA-N 444.320 5.205 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)cc1Cl 2222752688 WIOTYCGPFMNRAK-IAGOWNOFSA-N 431.802 5.613 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCCC)c2sc(C)c(C)c2Br)C1 2229305399 XCIYMRIZBBUFTG-KRWDZBQOSA-N 443.451 5.782 30 10 IKEE COc1ccc(C#CC(=O)c2cc(Br)cc(NC(=O)OC(C)(C)C)c2)cc1 2237858164 CIEDKOXDWKHFDF-UHFFFAOYSA-N 430.298 5.039 30 10 IKEE Cc1cc(Cl)cc(C(=O)C#Cc2ccccc2Br)c1NC(=O)OC(C)(C)C 2240961285 CRQKSTIRRBABKH-UHFFFAOYSA-N 448.744 5.992 30 10 IKEE C[C@@H](N(Cc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(C)(C)C 2247865390 UIKAXMUPSPKQHR-QGZVFWFLSA-N 427.419 5.124 30 10 IKEE CCCN[C@@H](C#CC1CCCC1)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2251415721 YYMQPJCDYFYMTG-BJKOFHAPSA-N 428.617 5.048 30 10 IKEE CCN[C@@H](CC#CC1CCCC1)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2261106467 FUGIAPBNEJPISX-DEOSSOPVSA-N 440.628 5.002 30 10 IKEE C=CCCC1([C@@H](NCC)c2cc(F)ccc2Br)CN(C(=O)OC(C)(C)C)C1 2281032628 LEKQAOQXRPKEJT-SFHVURJKSA-N 441.385 5.442 30 10 IKEE C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)C(=Cc3cccc(Cl)c3Cl)C[C@H]12 2297480171 ANTLLZHQDMIOLB-AXBWODHNSA-N 447.446 6.959 30 10 IKEE O=C1C(=O)N(c2ccccn2)[C@H](c2ccc(Cl)cc2)C1=C(O)c1ccc(Cl)cc1 2297747580 IRDOUFISEIOTJK-LJQANCHMSA-N 425.271 5.015 30 10 IKEE CCCCC[C@@H](CC)N1COc2cc(C)c3c(c2C1)OC(=CC=Cc1ccccc1)C3=O 2322075774 DXXQAGCMIODBNJ-JOCHJYFZSA-N 431.576 6.678 30 10 IKEE Cn1cc(C=C2Oc3c(ccc4c3CN(C3CCCCCCC3)CO4)C2=O)c2ccccc21 2322178917 JLSTTWWDVPHBPE-UHFFFAOYSA-N 442.559 6.059 30 10 IKEE CCCCCCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(OCC)cc1)C3=O 2322192739 WKQDLRBFBFYRLU-UHFFFAOYSA-N 449.591 6.522 30 10 IKEE COc1ccc(C=C2Oc3c(ccc4c3CN(CCCc3ccccc3)CO4)C2=O)cc1 2322214329 GCJCFNADAZWOBB-UHFFFAOYSA-N 427.500 5.096 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccccc2OCc2ccccc2)cc1OCCC 2322502332 IWWZJSUPQVLPBN-UHFFFAOYSA-N 430.544 6.739 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2ccc(F)cc2)c(C)c1 2322572946 WKBFEIWSGUALCF-UHFFFAOYSA-N 437.898 6.010 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C)cc2C)c1OCC(=O)Nc1c(C)cccc1C 2322579900 USITYNMZEOZTBM-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(C)cc2)c1OCC(=O)Nc1nccs1 2322593444 LWUNBVZJOSOAEA-UHFFFAOYSA-N 442.924 5.027 30 10 IKEE Cc1cc(C(=O)C=Cc2cc(Br)ccc2OCc2ccccc2)ccc1F 2322624319 QTKPMSHRHDAOJL-UHFFFAOYSA-N 425.297 6.372 30 10 IKEE Cc1cc(OC(=O)c2cccs2)cc2c1C(=O)C(=Cc1ccccc1Br)O2 2322667282 AWEVVUOLJUNPLA-UHFFFAOYSA-N 441.302 5.654 30 10 IKEE CCOC(=O)c1ccc(COc2ccccc2C=CC(=O)c2ccc(C(C)(C)C)cc2)o1 2322681138 CPBGNZYXRAGRCL-UHFFFAOYSA-N 432.516 6.229 30 10 IKEE O=C(COc1ccccc1C=CC(=O)c1cccc2ccccc12)Nc1ccccc1F 2322714797 PTOGYVYMPPKHKT-UHFFFAOYSA-N 425.459 5.893 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2ccccc2)c(C)c1C 2322825195 IEQVKNPMVHNUQQ-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE Cc1ccc(C(=O)C=Cc2c(OCC(=O)NCc3ccccc3)ccc3ccccc23)cc1C 2322886616 OYWSESKKKWUFRR-UHFFFAOYSA-N 449.550 6.048 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccccc1OCC(=O)NCc1ccccc1 2322922570 XITSZDTWXCBJHN-UHFFFAOYSA-N 449.934 5.248 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cc(Cl)ccc1OCCc1ccccc1 2322959212 QOMBLZPNCHEMGQ-UHFFFAOYSA-N 432.991 7.464 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccccc2OCC(=O)Nc2cc(C)ccc2C)cc1C 2322981310 ONFNVXVVALHSIK-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)CCc4ccc(Cl)cc4)c3C)C2=O)cc1 2323106365 DGQFYXZEJINWAC-UHFFFAOYSA-N 432.903 6.111 30 10 IKEE COc1cc(C=NNc2nc3ccccc3s2)cc([N+](=O)[O-])c1OCc1ccccc1 2323153778 HKOGCNMCCHYXQB-UHFFFAOYSA-N 434.477 5.238 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OC(=O)CCCOc4ccccc4)c3C)C2=O)c1 2323181908 RHMOBVSEGYOBEL-UHFFFAOYSA-N 428.484 5.684 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)c1 2323792077 JZRXPRBKRSQNSU-UHFFFAOYSA-N 442.511 6.218 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2OCC)C3=O)c1 2323792140 UBESHLWZVFACHZ-UHFFFAOYSA-N 430.456 5.319 30 10 IKEE CC(C)Oc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)c1 2323808048 VAAXAUUIOARYNP-UHFFFAOYSA-N 443.499 5.375 30 10 IKEE Cc1cc(OC(=O)c2cccc(OC(C)C)c2)cc2c1C(=O)C(=Cc1cccc(F)c1)O2 2323808971 COHAWSZFIKSFEN-UHFFFAOYSA-N 432.447 5.757 30 10 IKEE CCCOC(=O)COc1c(Cl)cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1OC 2324055242 WLCUMBNZRQAFGX-UHFFFAOYSA-N 444.955 5.874 30 10 IKEE Cc1ccccc1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccc(F)cc1)C2=O 2324407471 ZNZDUWICEVYONZ-KRWDZBQOSA-N 431.463 5.465 30 10 IKEE Cc1cccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2cccs2)C3=O)c1C 2324499009 OUPFBXVTYMWKRX-QGZVFWFLSA-N 433.529 5.696 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OCc2ccc(C)cc2)c(Cl)c1 2324514565 KGDMDKJSFIQYPT-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)ccc1OCc1ccc(F)cc1 2324522183 ZAKLVXWQWJSNAG-UHFFFAOYSA-N 440.898 6.280 30 10 IKEE Cc1cccc(OCCOc2cc(C)c3c(c2)OC(=Cc2cn(C)c4ccccc24)C3=O)c1 2324527736 XDPLIHQFJFOKQQ-UHFFFAOYSA-N 439.511 5.869 30 10 IKEE CCOc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1 2324719055 NMESUJVWBOKZKG-JOCHJYFZSA-N 430.573 6.332 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2)Oc2cc(OC(c3ccccc3)c3ccccc3)ccc21 2325215758 GXFOSQUSLVHSLX-UHFFFAOYSA-N 438.910 7.125 30 10 IKEE CC(=O)Nc1ccc(C(=O)COc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2325234763 KELAJHZVIBLHLS-UHFFFAOYSA-N 447.874 5.176 30 10 IKEE Cc1cc(OCc2cccc(Oc3ccccc3)c2)cc2c1C(=O)C(=Cc1cccs1)O2 2325348293 JLKKFCKGEACZPN-UHFFFAOYSA-N 440.520 7.044 30 10 IKEE CCCOc1ccc(C=CC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC 2325649251 CVWBQDVJOCDHTN-UHFFFAOYSA-N 445.515 5.284 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccccc3Cl)c2)cc1F 2325747866 FYJGWIZDFQMGDO-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 2325751058 ZFSURHAHQLIRHT-UHFFFAOYSA-N 435.407 5.166 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1OC(=O)Cc1ccccc1 2325755073 OVTVUOYQLKBKCN-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)c2cccc(F)c2)c1 2325756170 VSSSOTXQJAGHPM-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE Cc1ccccc1CCC(=O)Oc1cccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)c1 2325765795 FCAZLTDMYCNUCF-UHFFFAOYSA-N 440.583 7.035 30 10 IKEE CCCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1cccc(OC)c1 2326139957 HLYGIZDPGAURQT-UHFFFAOYSA-N 444.988 5.520 30 10 IKEE C=CCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(C(C)(C)C)cc1 2327771831 BNYPWGSGWNXMHL-UHFFFAOYSA-N 440.616 6.480 30 10 IKEE CCCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1cccc([N+](=O)[O-])c1 2328075488 BHKXIMUYVWYGDJ-UHFFFAOYSA-N 429.933 5.009 30 10 IKEE CCCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc(C(F)(F)F)cc1 2329114598 VDLBNAWZVCKXQL-UHFFFAOYSA-N 438.906 5.925 30 10 IKEE O=[N+]([O-])c1ccc(C=Nn2c(Cc3cccs3)nnc2SCc2ccccc2)cc1 2330390753 ZRFKFJRFMIMACP-UHFFFAOYSA-N 435.534 5.013 30 10 IKEE Cc1ccc(CSc2nnc(-c3cccs3)n2N=Cc2ccccc2C(=O)O)cc1 2330530718 PXNQHSXERLEXLG-UHFFFAOYSA-N 434.546 5.188 30 10 IKEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(C)c(C)c1 2330647892 GFLPQJAVXYTOLN-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(Br)c1OC(C)=O 2330672231 PMXDHHIYBDANPD-UHFFFAOYSA-N 439.305 5.822 30 10 IKEE COc1cccc(C=Nn2c(CC(C)(C)C)nnc2SCc2cccc3ccccc23)c1 2330860099 XPAAEEJDIGEOTF-UHFFFAOYSA-N 444.604 6.203 30 10 IKEE COc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccc(Cl)cc2)cc1 2330874275 JAWPGZMTWNOYFU-UHFFFAOYSA-N 428.989 5.703 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(Cl)c3)c(Cl)c2)cc1 2330961549 NIVDAOFXAAQJRF-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@H]3CCCO3)n2N=Cc2cccc(Cl)c2)c1 2330965674 OJJMUWJZHUFIJT-HXUWFJFHSA-N 426.973 5.574 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc(Cl)ccc3Cl)cc2)c(C)c1 2331216096 GTJLIJRBGMLNNZ-UHFFFAOYSA-N 425.311 6.726 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC(=O)C(C)C 2331250694 UXRGETYBUHJSTJ-UHFFFAOYSA-N 433.331 6.188 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3)cc2Cl)cc1 2331260095 KMPDTXCJVROSGH-UHFFFAOYSA-N 434.919 6.091 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)c1ccccc1C 2331279409 VWNQMFCWDDXUPK-UHFFFAOYSA-N 434.919 6.471 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)c1cccc(F)c1 2331331588 RTFJGQINWCLHPW-UHFFFAOYSA-N 442.845 6.051 30 10 IKEE C=C(C)CSc1nnc(CC(C)C)n1N=Cc1ccc(OCc2ccccc2C)cc1 2331453458 VTLPXJZXICLERQ-UHFFFAOYSA-N 434.609 5.914 30 10 IKEE CC(C)Cc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc([N+](=O)[O-])cc1 2331470143 MGTIIXCIDYFIQM-UHFFFAOYSA-N 429.933 5.213 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2C2CCC2)cc1 2331503957 ZQARZYZZTNKSNO-UHFFFAOYSA-N 437.588 5.705 30 10 IKEE Cc1ccc(C=Nn2c(SCC(=O)Nc3ccc(C)cc3C)nnc2C2CCC2)cc1 2331546051 ZCLBTDJPANUTJE-UHFFFAOYSA-N 433.581 5.084 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1ccc(OC)cc1 2331565490 ISWVRAXZSWSBDD-UHFFFAOYSA-N 438.426 5.487 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)COCc3ccccc3)c(Cl)c2)cc1C 2331706284 XPTHNWBGCGGIRU-UHFFFAOYSA-N 434.919 5.975 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2[N+](=O)[O-])c1 2331706616 BGWDZIJVOLGIQM-UHFFFAOYSA-N 443.499 5.873 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(OC)cc3)cc2)c(OCC)c1 2331731175 IPGRCAADVASKHE-UHFFFAOYSA-N 446.499 5.608 30 10 IKEE CCSc1nnc(C2CC2)n1N=Cc1c(OCc2ccccc2)ccc2ccccc12 2331736529 BDEUBNYSGAELDO-UHFFFAOYSA-N 428.561 5.882 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)cc3)c(Cl)c2)c(C)c1 2331768470 HQLJCZIOEVKKKZ-UHFFFAOYSA-N 439.338 7.034 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1c(C)c(C)c(Br)c(C)c1C 2372286918 IRNQITRBXSWHAW-YLJYHZDGSA-N 439.438 5.803 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@H](C#N)c1cc(F)c(Cl)cc1Cl 2377362433 JCBIQCDBYMXLPI-QGZVFWFLSA-N 429.706 6.792 30 10 IKEE O=C1CCCC2=C1[C@H](c1ccccc1F)n1nc(SCc3ccc(Cl)cc3)nc1N2 9856570 RMZBRMGTRPFGKU-FQEVSTJZSA-N 440.931 5.385 30 10 IKEE Cc1ccc(C(=O)C[C@@H]2S/C(=N\c3ccc(O)cc3)N(c3ccc(O)cc3)C2=O)cc1C 15054984 ABQCZJJMDXUSNV-YRZCPYHYSA-N 446.528 5.124 30 10 IKEE O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@@H](c1cccc(Cl)c1)n1c(nc3ccccc31)N2 19639382 SMURECQRWXPXIP-SSOJOUAXSA-N 443.909 6.245 30 10 IKEE Cc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccc(C)cc4C)nn32)cc1 20134162 PFWHAJLRLJTNSM-QHCPKHFHSA-N 430.577 5.518 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc3ccccc3c2)cc1OC 20883382 YDVFYMCWUCRGPB-YADHBBJMSA-N 441.527 5.251 30 10 IKEE Cc1ccc(N2C(=O)C(C)(C)[C@@H](N3CCCCC3)/C2=N\C23CC4CC(CC(C4)C2)C3)cc1 21152121 VXANDOXHZPFXFR-FIXONSRPSA-N 433.640 5.590 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(C(F)(F)F)cc2)cc1 21248719 IWHPILPRKFYGAX-YLJYHZDGSA-N 443.465 5.499 30 10 IKEE CCCCOc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(C(C)(C)C)cc1)C2 21254801 NENWTTQSCSQNIX-NFBKMPQASA-N 445.603 6.167 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(CC)cc2)C3)cc1OC 21255455 HZRVCPUDUCIBPF-LEWJYISDSA-N 433.548 5.051 30 10 IKEE O=C(c1ccc(C(F)(F)F)c(F)c1)N1CCC(Cc2ccc(C(F)(F)F)cc2)CC1 22643283 LMMMNDPMMLDTEJ-UHFFFAOYSA-N 433.367 5.958 30 10 IKEE O=C1/C(=C/c2ccc(Br)cc2)Oc2cc(OCc3ccccc3F)ccc21 33367640 HHCJRSPGQAUQGZ-NHDPSOOVSA-N 425.253 5.783 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc3c(c2)OCO3)cc1)c1ccc(-c2ccccc2)cc1 34955587 RKFOEZQSWGLNAB-LZYBPNLTSA-N 448.474 6.198 30 10 IKEE C=CCOc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2Cc2ccco2)cc1 39840091 TVFGJNXZWWIJRD-DEOSSOPVSA-N 441.483 5.313 30 10 IKEE C=CCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccc(F)cc2)c1 39879833 GAIJFRPRVWMXSS-XMMPIXPASA-N 441.458 5.555 30 10 IKEE C[C@@H]1CCc2c(sc(NC(=S)NC(=O)CCCOc3ccc(Cl)cc3)c2C#N)C1 40901525 LXTKSAWBXBKDQP-CYBMUJFWSA-N 448.013 5.070 30 10 IKEE C[C@@H]1CCc2c(C#N)c(NC(=O)c3sc4ccccc4c3Cl)sc(=S)c2C1 41019223 LJHCEVUJULNTCN-SNVBAGLBSA-N 431.007 6.594 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OC(=O)c4cccc(C)c4)cc(C)c3C2=O)c1OC 41355256 RYQGZSTVHSERKC-XKZIYDEJSA-N 430.456 5.156 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1COc1nc2ccccc2n1Cc1ccc(C#N)cc1 95086634 RQOBTENNAMDVHU-OAQYLSRUSA-N 446.551 5.125 30 10 IKEE CCCCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N/c1ccc(Cl)cc1 100176193 SNGZFDAQFUHGRF-MWWVQSJNSA-N 444.025 6.504 30 10 IKEE Oc1ccc(/C=N\Cc2cccc(C(F)(F)F)c2)c(O)c1Cc1c(F)cccc1Cl 100460019 XAZGXXRVQBIAOM-NVJOKUIPSA-N 437.820 6.119 30 10 IKEE Cc1cccc(CN2c3ccccc3C(=O)/C(=C/Nc3cc(C)ccc3C)S2(=O)=O)c1 104402282 XJYWMGUXSGHDBJ-IWIPYMOSSA-N 432.545 5.098 30 10 IKEE Cc1cc(C)c(S(=O)(=O)Oc2ccc(C(=O)/C=C\c3ccccc3Cl)cc2)c(C)c1 108749129 SESRQIAIENIWCF-RAXLEYEMSA-N 440.948 5.929 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(C)c(C)c2)=C(O)C(=O)N1c1cccc(C)c1 169941667 FIQFRZJBDRMGQK-XMMPIXPASA-N 427.500 5.403 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@H]1c1cccnc1)c1cccc(Cl)c1 170008174 LVRIJRHNYOQBGR-QHCPKHFHSA-N 440.886 5.671 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2ccccc2)c1 170036160 NDVSXCKRCGWACR-DEOSSOPVSA-N 438.483 5.350 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2Cc2ccncc2)cc1 170068254 AIYNHIHPKOFXRL-SANMLTNESA-N 440.543 5.303 30 10 IKEE Cn1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2C2CCCC2)c2ccccc21 170085717 QMSZWNOJCLVDHV-XMMPIXPASA-N 440.499 5.445 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@H]1c1cccc(C)c1 170147442 SUUCFDLFUQNWHP-OAQYLSRUSA-N 427.928 5.426 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 170149749 SLLAGPQEOBHXDX-DEOSSOPVSA-N 449.591 6.150 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cccs1 170163773 IKRABJUMBBDQHX-HXUWFJFHSA-N 425.550 5.285 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2cccnc2)cc1C 170186964 BOIJRCMKULHNNC-XMMPIXPASA-N 442.515 5.269 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(O)c(Cl)c1 170219694 QVGIJEDTMKLDCM-JOCHJYFZSA-N 435.907 5.577 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccccc2)cc1 170228551 ZFODPVMDDXSLKA-VWLOTQADSA-N 430.463 5.494 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1ccccc1)c1cc2ccccc2o1 170229115 ADUNLMRRQSXSHF-JOCHJYFZSA-N 431.394 5.494 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2c[nH]c3ccccc23)ccc1F 170254257 QVULOCWVBPOFEL-QHCPKHFHSA-N 426.447 5.398 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2C2CCCCC2)cc1 170266723 DJAUKRHPZNFVJV-RUZDIDTESA-N 445.559 5.485 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(CC)cc1 170268317 QMBYBNSXVQDALZ-DEOSSOPVSA-N 435.564 5.805 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2C)c1 170272193 QFMWUIKRPUJPKX-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccco2)cc1C(C)(C)C 170286177 UIZUEJCXEIYJHE-QFIPXVFZSA-N 431.488 5.369 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(OC(C)=O)cc1 170320216 NWZKXQJUPXSDLX-XMMPIXPASA-N 443.499 5.144 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(Cl)c1)c1cccs1 170368561 CYTIQBCEQUOWJG-GOSISDBHSA-N 446.311 5.543 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccc(Cl)c(Cl)c1)c1cccs1 170422469 YNTUSTBIPNOHHG-SFHVURJKSA-N 445.327 5.228 30 10 IKEE CCCCCCCCCCCCCCc1ccccc1/C=C/c1ccc(N(CC)CC)cc1 205065593 LYFNRQXSGZKPMT-WNAAXNPUSA-N 447.751 9.947 30 10 IKEE Brc1ccc2nc(NN=Cc3nc4ccccc4[nH]3)nc(-c3ccccc3)c2c1 252632915 VXWVVGAYIPTIMX-UHFFFAOYSA-N 443.308 5.382 30 10 IKEE CCOC(=O)c1cc2c(cc1C)-c1ccccc1C2=Nc1cccc2c1Cc1ccccc1-2 254485460 XUWOOBCIKPVOAK-UHFFFAOYSA-N 429.519 6.892 30 10 IKEE Cc1nn(-c2ccccc2)c(Cl)c1C=NC1=NN(c2cccc(C(F)(F)F)c2)CC1 254526133 MJCMWOYPYANNBT-UHFFFAOYSA-N 431.849 5.496 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1c(Cl)cccc1Cl 526821568 ZFEOXLKBHQHDIV-MXAYSNPKSA-N 441.387 6.475 30 10 IKEE CSc1nc(O)c(C(=O)N[C@@H](c2ccccc2)c2cc(Cl)ccc2Cl)cc1C#N 544292921 PLCGBSROBBZHKF-SFHVURJKSA-N 444.343 5.207 30 10 IKEE CCCCCCC[S@@](=O)CC(=O)Nc1scc(-c2ccccc2)c1C(=O)OCC 586295520 CFKPWTNBILFTNV-GDLZYMKVSA-N 435.611 5.249 30 10 IKEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@H](C#N)c1cc(Br)ccc1Cl 698828807 OILSTKLRCYPRGH-GFCCVEGCSA-N 427.648 5.467 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C#N)(N(C(=O)OC(C)(C)C)c1ccccc1)C2 709413525 LLCUKJAUOBKQHD-OALUTQOASA-N 427.545 5.252 30 10 IKEE C=CCC1([C@@H](NC)c2c(Cl)cccc2Br)CN(C(=O)OC(C)(C)C)C1 722923014 NDPKQEWPJAPOIG-INIZCTEOSA-N 429.786 5.176 30 10 IKEE c1ccc(CN(CCC/N=C2/N[C@@H](C3CCCCC3)CCS2)Cc2ccccc2)cc1 725078183 RJFZOXCFQVDTQH-AREMUKBSSA-N 435.681 6.110 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(Br)ccc1Cl 829347253 JQFXWMYKIWQUKN-GOSISDBHSA-N 435.749 6.417 30 10 IKEE C=CCC[C@@H](NS(=O)(=O)c1ccc2nc(O)sc2c1)c1ccc(C(F)(F)F)cc1 1662981054 RCJHAUXRIDRNLB-OAHLLOKOSA-N 442.484 5.007 30 10 IKEE COc1cccc(/C=C2\SC(=Nc3cccc(C(=O)O)c3)N(c3ccccc3)C2=O)c1 1772735157 IGTYYSXOOOHZKE-NGZUUMTHSA-N 430.485 5.202 30 10 IKEE COc1ccc(/C=C2/SC(=Nc3nc(C)cs3)N(C3CCCCC3)C2=O)c(OC)c1 1772740402 XNSFJNBFRQVFOE-CIOOEQDQSA-N 443.594 5.405 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)COc1ccc(C)cc1)c1ccccc1 1861797718 YHJUEQMPTSMYEZ-AREMUKBSSA-N 438.612 5.488 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2ccccc2C)cc1C 1862400625 IZHUUHNAXRJMGF-QHCPKHFHSA-N 447.556 5.195 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2cccc(C)c2)cc1C 1862401231 WOKCSDJYKBGOKG-XMMPIXPASA-N 433.548 5.613 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(F)cc1F 1862403354 TWJDSKYRMIWMCL-JOCHJYFZSA-N 443.490 5.440 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CCCCCC2)c1 1862413113 WBFKOTAIARZFBY-QFIPXVFZSA-N 425.475 5.574 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)cc1Cl 1862452097 USOGYIWXLJRCEH-SFHVURJKSA-N 438.738 6.025 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2c(F)cccc2Cl)cc1 1862480641 LGIXAMGMAJYVAG-HXUWFJFHSA-N 441.911 5.628 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2cccc(F)c2)c1 1862501758 JXHOBAXLMXFASP-HSZRJFAPSA-N 433.454 5.360 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2ccc(N(CC)CC)cc2)cc1 1862538347 LJBNMHNYNJPMKQ-KOSHJBKYSA-N 434.580 5.472 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2CCCC)cc1 1862540640 SBFNVRUBIXUBPT-RUZDIDTESA-N 449.591 6.196 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cc(Cl)cc(Cl)c2)c1 1862562621 JPVBEIYAAMVCIO-LJQANCHMSA-N 431.319 5.097 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1c(Cl)cccc1Cl 1862586371 RNMOXZKZLDGVTJ-MRXNPFEDSA-N 445.129 5.898 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862594407 DNHFRSHLHSDZFQ-XMMPIXPASA-N 445.490 5.433 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(O)c(OC)c1 1862619940 GZKSBBJZPNWQBQ-IVZQSRNASA-N 437.536 5.075 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccc1C 1862649409 XLCDDVFKTYMQRR-VWLOTQADSA-N 427.544 6.307 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCC(C)C)cc1 1862652138 FAJGCYWUOKPBGX-DEOSSOPVSA-N 429.516 5.473 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1ccc(Cl)cc1Cl)c1cccc2ccccc12 1862658197 NTIIAWHTADGHBR-OAQYLSRUSA-N 438.310 5.887 30 10 IKEE CC(C)(C)c1ccccc1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(F)cc2)C1=O 1862774348 DLVZQLXYBOVVFJ-UHFFFAOYSA-N 439.490 5.391 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C(C)C)c(C)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1C 1862879958 NXTMXSOGUNTKFH-UHFFFAOYSA-N 449.554 6.004 30 10 IKEE Cc1ccc(C2=C(Nc3cccc4c(O)cccc34)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862896449 OILPDJJJYJVNGR-UHFFFAOYSA-N 445.478 5.122 30 10 IKEE Cc1ccc(C)c(NC2=C(c3ccccc3Cl)C(=O)N(c3ccccc3C#N)C2=O)c1 1863083471 QCJKHWOZRUTDRU-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE N#Cc1ccc(N2C(=O)C(Nc3cccc(Cl)c3)=C(c3c[nH]c4ccccc34)C2=O)cc1 1863129899 XZSYYWZXMDCYAG-UHFFFAOYSA-N 438.874 5.090 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc3cccnc23)=C(c2ccc(C)cc2)C1=O 1863261251 BEWVHOAZVFUCLO-UHFFFAOYSA-N 441.575 6.096 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2Cl)=C(c2cc(C)ccc2C)C1=O 1863404583 NKRCLWGXEWPNRE-UHFFFAOYSA-N 438.999 6.509 30 10 IKEE C=CCNC1=C(c2ccc(OCc3ccccc3)cc2)C(=O)N(CCC2=CCCCC2)C1=O 1863705542 SLLYLAGQAAJUEI-UHFFFAOYSA-N 442.559 5.012 30 10 IKEE CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)c1ccc(OCC#N)cc1 1865939927 UPQMTKAJWBONTO-UHFFFAOYSA-N 434.517 5.363 30 10 IKEE CCCc1nc(Nc2cccc(C#N)c2)cc(N2CCC(Oc3cccc(CC)c3)CC2)n1 1868378347 JGKXOQRZBRDTRS-UHFFFAOYSA-N 441.579 5.655 30 10 IKEE C=CCN(CC=C)c1cc(N2C[C@H](c3ccc(F)cc3)O[C@H](C)C2)nc(-c2ccccc2)n1 1869206648 LVFCGXYRXBGZFJ-HYBUGGRVSA-N 444.554 5.428 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccccc2C)cn1CCc1ccc(F)cc1 1870627324 KPJMWICICINZFC-UHFFFAOYSA-N 446.566 5.292 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)c(Cl)c2)c(=O)cc1CNc1cccc(C)c1 1870826384 WCRKRIBLAUQRKM-UHFFFAOYSA-N 429.347 5.841 30 10 IKEE CCCCCCCCn1cc(OCC(C)C)c(=O)cc1CNc1ccccc1C(C)C 1870858065 RXHQYSBFZZBTLC-UHFFFAOYSA-N 426.645 6.979 30 10 IKEE C=CCn1cc(OCc2cccc3ccccc23)c(=O)cc1CNc1ccc(OC)cc1C 1870918325 DIZHUQKXKGUMDZ-UHFFFAOYSA-N 440.543 5.696 30 10 IKEE C=CCn1cc(OCc2cccc3ccccc23)c(=O)cc1CNc1cc(Cl)ccc1C 1870918695 LLMWTMIOKIJYCM-UHFFFAOYSA-N 444.962 6.340 30 10 IKEE C=CCn1cc(OCCOC(C)C)c(=O)cc1CNc1ccc(Cl)c(C(F)(F)F)c1 1870987053 OSCPSEAGWOHCDY-UHFFFAOYSA-N 444.881 5.122 30 10 IKEE C=CCn1cc(OCCCOc2ccc(OC)cc2)c(=O)cc1CNc1ccc(C)c(C)c1 1871041469 CADSYYHZLSFMHY-UHFFFAOYSA-N 448.563 5.120 30 10 IKEE C=CCn1cc(OCCCOc2ccccc2)c(=O)cc1CNc1ccc(Cl)c(C)c1 1871085490 VYQDCHPUQNCPRZ-UHFFFAOYSA-N 438.955 5.456 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccccc1Cl)C3=O)CN(CCCOC(C)C)CO2 1871351734 UJHPBDHFAWZIOB-MTJSOVHGSA-N 427.928 5.232 30 10 IKEE CCN(CC)CCCCN1COc2c(cc3c(c2C)O/C(=C\c2cccc(C)c2)C3=O)C1 1871355234 YTWXJMZNXLMFJN-IWIPYMOSSA-N 434.580 5.194 30 10 IKEE Cn1cc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc(F)cc4)ccc3C2=O)c2ccccc21 1871366163 VKHRSYIADATUFJ-DJNRAMKDSA-N 439.442 5.552 30 10 IKEE Cc1c(OC(=O)c2ccc([N+](=O)[O-])cc2)ccc2c1O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871371420 YVVHJQULFHKKFA-UCQKPKSFSA-N 443.455 5.862 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc(C)c3C2=O)cc1 1871373494 JKXXREULOFLJQO-UUYOSTAYSA-N 429.428 5.355 30 10 IKEE Cc1ccc(/C=C2\Oc3c(CN(C4CCCCC4)C4CCCCC4)c(O)cc(C)c3C2=O)o1 1871392956 FZSAQNFRVDEBGO-XYGWBWBKSA-N 449.591 6.686 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 1871404820 BCQQAASPLMWJSB-YOBACFSGSA-N 447.462 5.165 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2)Oc2cc(OCCOc3cccc4ccccc34)ccc21 1871415680 OHDOHWVPHMJVRL-QQXSKIMKSA-N 442.898 6.567 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)c(C)c1 1871418710 ISWVRAQYVPMQPU-WGARJPEWSA-N 441.527 6.061 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O 1871430735 ACEWOQYZVLLKAI-ICODJCHTSA-N 431.463 5.465 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OC(c4ccccc4)c4ccccc4)c3C)C2=O)cc1 1871431313 NWYBVTQOJMCQEJ-RRAHZORUSA-N 446.546 7.342 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O 1871432356 AAXFNOPJSLCJOV-FYYJVHHASA-N 426.484 5.723 30 10 IKEE Cc1cc(C)c(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2)C3=O)c(C)c1 1871458203 FPLVSSGEXUGCAT-UCQKPKSFSA-N 427.500 5.554 30 10 IKEE CCCCCCCCCCN=c1nc(N(C)CCCC)[nH]c(=Nc2ccccc2C)[nH]1 1871484061 HTBXUPORXWQNPO-UHFFFAOYSA-N 426.653 5.556 30 10 IKEE CCCCCCCCN=c1nc(N2CCC[C@H](C)C2)[nH]c(=Nc2ccccc2C(C)C)[nH]1 1871495010 DTNZRNUHSYXDNJ-NRFANRHFSA-N 438.664 5.591 30 10 IKEE CCCCCCCCCCNC(=O)c1nonc1OCCOc1ccc(C(C)(C)C)cc1 1872715446 DCDGBEUTCRXIPF-UHFFFAOYSA-N 445.604 5.695 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccccc3C)n2)cc1OC 1872761729 ULHJFQIAGXVAAL-GOSISDBHSA-N 436.533 5.171 30 10 IKEE CCc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2cccc(Br)c2)cs1 1872763693 RXVCTZBYSCLOMU-QGZVFWFLSA-N 441.350 5.390 30 10 IKEE CC(C)c1csc([C@@H](C#N)C(=O)/C=C/c2ccc(OCc3ccccc3Cl)cc2)n1 1872774565 VKJPYEFDPBYGFS-JTPHSUOKSA-N 436.964 6.389 30 10 IKEE CCCCCCCCCCNC1=C(c2cccc(Br)c2)C(=O)N(CC)C1=O 1873053785 OAXIISBEYZTPGC-UHFFFAOYSA-N 435.406 5.279 30 10 IKEE CCCCCCCCN1C(=O)C(NCCc2ccc(OC)cc2)=C(c2ccccc2C)C1=O 1873101087 KKAIBNQOJKKGAW-UHFFFAOYSA-N 448.607 5.276 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2Cl)=C(c2cc(F)cc(F)c2)C1=O 1873318211 KOGAOQPFPGJZDE-UHFFFAOYSA-N 446.925 6.171 30 10 IKEE COc1cc(/C=N/Nc2oc(Cc3cccc4ccccc34)nc2C#N)cc(Cl)c1OC 1873463219 DNNJYULENWDGGZ-MZJWZYIUSA-N 446.894 5.407 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1/N=C/c1cccn1C 1874194739 FCTDYSBCQQZODI-XIEYBQDHSA-N 437.613 5.086 30 10 IKEE CSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccc(C(C)C)cc1 1874212580 UAVZVBYKDCVQSW-BUVRLJJBSA-N 428.989 5.671 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(COc2ccc(CCC)cc2)nnc1SCC=C 1874258624 AKBVIRYTTPSSDY-NLRVBDNBSA-N 448.592 5.535 30 10 IKEE C=CCSc1nnc(COc2cccc(C)c2C)n1/N=C/c1ccc(C(F)(F)F)cc1 1874324996 SUSSXWZLTSKDMF-LGJNPRDNSA-N 446.498 5.653 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(F)c3)n2/N=C/c2cccc(C)c2)cc1 1874387875 JOKQIKZVENHBJU-JVWAILMASA-N 430.552 5.799 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(F)cc1 1874394081 YCOQTUSRCRTTPN-VSWHYLHOSA-N 434.515 5.883 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C/c2cc(C)ccc2O)cc1 1874396212 CKPCDTSMUWSULC-WPWMEQJKSA-N 442.588 5.560 30 10 IKEE Fc1cccc(Cl)c1/C=N/n1c(SCCc2ccccc2)nnc1-c1ccco1 1874467115 SCHGHADIVRUIPR-ZVHZXABRSA-N 426.904 5.548 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874474972 CHOOZVSPIWQLJF-YZSQISJMSA-N 449.624 5.531 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1/N=C/c1sccc1C 1874478031 PMSOXUOMDXOFGQ-YDZHTSKRSA-N 441.626 5.220 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1cc(Br)ccc1O 1874504770 ZCIFHQHZROVVRI-WSDLNYQXSA-N 445.386 5.182 30 10 IKEE COc1cccc(/C=C/C(=O)c2cccc(Cl)c2)c1OCc1c(F)cccc1Cl 1874577432 NJJKITZLRKTZLG-VAWYXSNFSA-N 431.290 6.616 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3cccc(C)c3C)c2)cc1OC 1874593858 FIUXBLDPPHNIKN-ACCUITESSA-N 445.515 5.234 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1cccc(C)c1 1874610983 VVCDPJQCZXWVRP-KPKJPENVSA-N 433.460 5.396 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(Br)c1OCCO 1874622733 SFRNPJXDECQRPH-BJMVGYQFSA-N 433.342 5.022 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(OC(C)=O)cc3)c2)cc1 1874701334 NCCCVHKDZCKHQI-FRKPEAEDSA-N 430.456 5.126 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1ccc(F)cc1 1875098058 QBXKFAMTBRMUJL-VIZOYTHASA-N 444.502 6.219 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc4ccccc4n3C)c(OC)c2)cc1 1875101333 LCEKMJNJIMSGAM-RVDMUPIBSA-N 439.511 5.865 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OC(=O)c1cc2ccccc2n1C 1875110732 ZVJUYSQVFZHHHZ-ACCUITESSA-N 445.902 5.956 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC(=O)CCOc1ccccc1 1875122486 BNJMLEQBTOAMSM-ZRDIBKRKSA-N 436.891 5.619 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)c1cccc(C)c1 1875136096 WZRUPZVQRHJGPO-JLHYYAGUSA-N 434.919 6.471 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc(C)cc(C)c3)c(Cl)c2)cc1F 1875153167 TYUNFSMYFPWCJK-QPJJXVBHSA-N 438.882 6.220 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OC(=O)C2CCCC2)c(Cl)c1 1875180596 OYWHHGWCSXAJEX-VQHVLOKHSA-N 433.331 6.302 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccncc2)c([N+](=O)[O-])c1 1875184107 IUBYRJCCPLMNNL-RMKNXTFCSA-N 444.487 5.711 30 10 IKEE C=CCn1c(C(=O)N(CCCC)CCCCCC)cc2c(NCc3ccccn3)ncnc21 1875230529 DLHKBXUAEYOZRZ-UHFFFAOYSA-N 448.615 5.447 30 10 IKEE Cc1ccc(CN(Cc2ccccc2)Cc2cccs2)cc1B1OC(C)(C)C(C)(C)O1 1915409485 CMXTWPPUDOWZBP-UHFFFAOYSA-N 433.426 5.558 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1cccc(C)c1Br 1927300877 BWMYYDAZLKRKRB-KRWDZBQOSA-N 431.330 5.773 30 10 IKEE CCC[C@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1931133247 YUHAPJYRGWQJRV-UXHICEINSA-N 431.577 5.257 30 10 IKEE CCC[C@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 1945808605 OETDTJMTMAYSJO-QUCCMNQESA-N 437.625 5.779 30 10 IKEE C#CCCCCCNC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)CC 1995007485 WFYDHTPVBGJFJH-IBVKSMDESA-N 446.591 5.250 30 10 IKEE CC1(C)CSC(=NCCc2ccccc2)N1C(=O)c1cccnc1Sc1ccccc1 2040437968 BAXCSXFKHRPQSV-UHFFFAOYSA-N 447.629 5.799 30 10 IKEE COc1ccc2c(c1)CCC(=Cc1csc(N(C(C)=O)c3cccc(C)c3C)n1)C2=O 2040483893 MBDMPPYGRDRUIW-UHFFFAOYSA-N 432.545 5.666 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)CC[C@H]2C)cc1 2076316163 FETVEWRKVIYMJX-CLOONOSVSA-N 443.588 5.666 30 10 IKEE CCCc1ccc([C@H](CC)n2nc(C(F)F)c(C=NO)c2I)cc1 2079934067 CJVUQDFPWFVSII-AWEZNQCLSA-N 447.267 5.185 30 10 IKEE Oc1c2c(nc3c(-c4ccc(C(F)(F)F)c(F)c4)c(C(F)(F)F)nn13)CCCCC2 2081508335 VBVYVQOZDYEGIR-UHFFFAOYSA-N 433.327 5.548 30 10 IKEE CC(C)CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(C#N)cc1Br 2174808945 UHQBINARTLQWNA-QGZVFWFLSA-N 436.394 5.183 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCCCN2c2cc(Br)cc(C#N)c2)CC1 2178251942 GIEVLAPULDHDDE-UHFFFAOYSA-N 434.378 5.081 30 10 IKEE CCCC#C[C@H](NCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2225462060 UYWWNDQZEXWMME-LITSAYRRSA-N 443.587 5.660 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)cc(F)cc1Br 2225592600 GPPYAOJGUPXTST-WBVHZDCISA-N 433.337 5.237 30 10 IKEE C=C([C@H](NC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)C(C)(C)C 2229127005 JQGJZKJWGCTCOB-ROUUACIJSA-N 425.411 5.075 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)CN(CC(C)(C)C)C(=O)OC(C)(C)C 2235736613 ZKTKLNULJINPAA-GOSISDBHSA-N 437.422 5.062 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@]1(NC(=O)OC(C)(C)C)C[C@H]2CCCC[C@@H]21 2250725936 KLERPAVUECNLHS-KSZLKVKMSA-N 428.617 5.211 30 10 IKEE C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2255854423 BPNWDJRKGWKBQX-QGZVFWFLSA-N 437.370 5.044 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCC(=O)O)c1cccc(Cl)c1Br 2261826717 DDXQWBVIEZQVAE-LJQANCHMSA-N 425.706 5.018 30 10 IKEE C=CCN(C[C@H](NC)c1cc(Br)cc(C(C)(C)C)c1)C(=O)OC(C)(C)C 2273010141 ZOLXYUASAVOHJK-SFHVURJKSA-N 425.411 5.430 30 10 IKEE CC1(C)OB(c2ccc(Nc3cc(Cl)c(Br)cc3Cl)nc2)OC1(C)C 2277988682 FUVASOUEXHWMKU-UHFFFAOYSA-N 443.965 5.194 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(C)c(Br)c1 2278359265 JXJULLDHYGRCBO-OALUTQOASA-N 425.411 5.658 30 10 IKEE C=CCCC1(C(=O)Nc2cc(Br)c(F)cc2C)CN(C(=O)OC(C)(C)C)C1 2281047537 HTPPHWRJOIDYMB-UHFFFAOYSA-N 441.341 5.038 30 10 IKEE C=CC[C@@H](C)[C@](C)(OCCC(=O)O)c1cc(Br)c(Br)s1 2292066682 MVAATXNNJIIESI-OTYXRUKQSA-N 426.170 5.192 30 10 IKEE CCOC(=O)C1=C(Nc2cccc3ccccc23)SC(=Cc2ccc(Cl)cc2)C1=O 2293394384 JFSWCVREEATPLY-UHFFFAOYSA-N 435.932 6.037 30 10 IKEE CCCCCCCCC=CCCCCCCCCCCCC(=O)NCc1ccccc1 2294865951 DJAHJLPTHLWQBP-UHFFFAOYSA-N 427.717 8.901 30 10 IKEE CC(C)(C)OC(=O)NC1(CC[C@@H](N)C#Cc2cccc(Br)c2)CCCCC1 2296218908 JILGJDKFODOYMS-IBGZPJMESA-N 435.406 5.136 30 10 IKEE COc1ccc([C@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 2296287857 XJTAWWFWKDJFSK-QFIPXVFZSA-N 433.891 5.283 30 10 IKEE CC1(C)C(=S)N(c2ccccc2Cl)C(=NC2CCCCC2)[C@H]1N1CCSCC1 2297382596 KIBGZXXEKNJNQP-LJQANCHMSA-N 436.090 5.662 30 10 IKEE O=C(C=CNc1ccccc1NS(=O)(=O)Cc1ccccc1)c1cccc2ccccc12 2297510256 ZEJGIGFNRJDNIW-UHFFFAOYSA-N 442.540 5.590 30 10 IKEE C=C1C[C@@H](C[C@@H](C)[C@H]2CC[C@H]3C(=CC=C4C[C@@H](O)C[C@H](O)C4=C)CCC[C@@]32C)OC1=O 2297749161 SAODSJHDCZTVAT-XYWDKEQOSA-N 426.597 5.025 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2308983666 KDRFGMIUHBBLLS-NKDADTEFSA-N 445.535 5.153 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NC)c2cc(Cl)cc(Br)c2F)C1 2315457486 DAOQEDUPEGVKFB-HNNXBMFYSA-N 433.749 5.116 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(OCc4ccc([N+](=O)[O-])cc4)c3C)C2=O)cc1 2321852346 ZGJGWXWYZXLWTG-UHFFFAOYSA-N 431.444 5.497 30 10 IKEE COC(=O)c1ccc(COc2ccc3c(c2C)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2321856614 MPDZGVHYGSFJRM-UHFFFAOYSA-N 434.875 5.630 30 10 IKEE Sc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc(OCc2ccccc2)cc1 2322119873 XBQXBSPFJHYKKA-UHFFFAOYSA-N 448.979 5.467 30 10 IKEE CCCCOCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccccc1F)C3=O 2322145539 LECDMPJRHIGHNP-UHFFFAOYSA-N 425.500 5.109 30 10 IKEE C[C@H](NC(=O)COc1ccccc1C=CC(=O)c1ccc2c(c1)CCCC2)c1ccccc1 2322328561 VFOQAZHPSRHBGC-NRFANRHFSA-N 439.555 5.718 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc(Cl)cc2C=CC(=O)c2ccc(C)c(C)c2)c1 2322899787 RHFSFRJIYXCUQA-UHFFFAOYSA-N 447.962 6.487 30 10 IKEE Cc1ccc(CCC(=O)Oc2ccc3c(c2)OC(=Cc2c(F)cccc2Cl)C3=O)cc1 2323078723 BNJPYHMJJVJPSK-UHFFFAOYSA-N 436.866 5.942 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2OC)cc1OCC(=O)Nc1ccccc1C 2323176682 ZFODXNVWUQOEQS-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE Cc1cc(C)c(S(=O)(=O)NN=Cc2cc(Cl)c(OCC(C)C)c(Cl)c2)c(C)c1 2323379746 KZECSFKRWRLHES-UHFFFAOYSA-N 443.396 5.266 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(OC)c1OCc1ccccc1C 2323396027 LKZYHZCRNKFDEA-UHFFFAOYSA-N 438.523 6.641 30 10 IKEE COc1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(OC)cc2)C3=O)cc1 2323423330 GNOIXLCUSZYGTD-UHFFFAOYSA-N 442.467 5.247 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OCC(=O)Nc1ccccc1 2323437943 VDMPIPOHRCNGML-UHFFFAOYSA-N 441.527 5.488 30 10 IKEE O=C(C=Cc1ccc([N+](=O)[O-])cc1)Oc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O 2323594771 HSCOJWNLRLEJFD-UHFFFAOYSA-N 439.423 5.386 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OCc1ccc(C(=O)OC)o1 2323767957 RSFPMYIOQMPBEO-UHFFFAOYSA-N 440.879 5.593 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(Br)c(OCCC)c(OCC)c2)cc1 2323936786 UUGQXELKENLTMP-UHFFFAOYSA-N 447.369 6.322 30 10 IKEE Cc1cc(O)c(CN2C[C@@H](C)C[C@H](C)C2)c2c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O2 2324055068 PHBJWYFOSQQUBW-ROUUACIJSA-N 433.592 6.092 30 10 IKEE O=C1C(=Cc2ccc(Cl)c(Cl)c2)Oc2c1ccc(O)c2CN1CCCC[C@H]1CCO 2324140365 HCWIFLCXTVTQSL-HNNXBMFYSA-N 448.346 5.052 30 10 IKEE CCc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4)cc(C)c3C2=O)cc1 2324405828 FUZYDQXZETZHDK-SFHVURJKSA-N 427.500 5.580 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OCC(=O)Nc2cccc(C)c2)cc1 2324523101 YXCCZJSHHZQWGP-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE N#C[C@@H](C(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc3ccccc23)cs1 2324640130 FOBZFDGYJWQHGA-NRFANRHFSA-N 425.469 5.761 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2OC)cc(Br)c1OC 2324706696 STSKVJFFIXYVAN-UHFFFAOYSA-N 425.706 5.415 30 10 IKEE CCCC[C@H](Oc1cc(C)c2c(c1)OC(=Cc1ccc(Br)cc1)C2=O)C(=O)O 2324781193 OEWKCXAQYRDKET-KRWDZBQOSA-N 445.309 5.396 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(C)cc3)n2)c(OC)c1OC 2324852931 AQUGKRZSSARKRH-GOSISDBHSA-N 434.517 5.034 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(OC)cc1OC 2325532363 CDCRQIZDHFMWCR-UHFFFAOYSA-N 444.988 5.466 30 10 IKEE CCc1ccccc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1cccc(F)c1)C2=O 2325737438 YWYMJONWCRQLJJ-UHFFFAOYSA-N 431.463 5.330 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OC(=O)Cc1ccc(C)c(C)c1 2325750207 AGKCROZPUWZMLC-UHFFFAOYSA-N 442.555 6.480 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2cccc(OC(=O)c3cccc(Br)c3)c2)cc1 2325750623 FKNHGHFJRMALST-UHFFFAOYSA-N 449.344 6.688 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccccc3-c3ccccc3)c2)cc1 2325750742 GQWJNFUOSASUEI-UHFFFAOYSA-N 446.546 7.592 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)c2ccc(Cl)cc2)c1 2325763965 VGVGXACHWWNLDS-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE CCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1N=Cc1ccccc1C 2325842509 MGIYPXXWRXXBPV-UHFFFAOYSA-N 436.625 5.890 30 10 IKEE CCOc1ccc(C=Nn2c(CCCOc3ccc(CC)cc3)nnc2SCC)cc1 2326320731 FJDRTDHBUXQWAM-UHFFFAOYSA-N 438.597 5.245 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccc(CC)cc1 2326538149 QVZFMSHPHZLRFQ-UHFFFAOYSA-N 426.973 5.542 30 10 IKEE CC(C)c1ccc(C=Nn2c(CCc3cccc4ccccc34)nnc2SCCO)cc1 2326622240 IMOCIKVPGLKTEX-UHFFFAOYSA-N 444.604 5.307 30 10 IKEE CCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1cn(CC)c2ccccc12 2326681281 OICOFTCKSQTYCD-UHFFFAOYSA-N 428.565 5.251 30 10 IKEE C=CCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(OC)c(OC)c1 2327768130 VUSOJJXEPPMIRM-UHFFFAOYSA-N 444.560 5.200 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3Cl)n2N=Cc2ccncc2)c1 2327931660 OCZCJGYDKCKIAL-UHFFFAOYSA-N 447.995 5.595 30 10 IKEE CCSc1nnc(COc2c(C)cccc2C)n1N=Cc1ccc(Cl)cc1Cl 2328554940 SHVRKOLMHYRFKM-UHFFFAOYSA-N 435.380 5.775 30 10 IKEE CCCOc1cccc(C=Nn2c(CCc3ccc(OC)cc3)nnc2SCCC)c1 2328585101 HOMFEZDVEBWPPU-UHFFFAOYSA-N 438.597 5.245 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2OC)n1N=Cc1cccc2ccccc12 2328689772 FHWRBLBPUFTUEB-UHFFFAOYSA-N 442.588 5.776 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)cc2C)n1N=Cc1c(F)cccc1Cl 2328895871 FUGYQHDBGVJKRL-UHFFFAOYSA-N 444.963 5.817 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1Cl 2330599852 CCSSZCUJJCKQGT-UHFFFAOYSA-N 446.974 7.779 30 10 IKEE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc(C=CC(=O)c3ccccc3Cl)cc2)cc1 2330910773 ZAUXESJGQYZJMI-IBGZPJMESA-N 448.946 6.732 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccco2)c(Cl)c1)c1cccc(Br)c1 2330999238 WXTZVIBDXRMBML-UHFFFAOYSA-N 431.669 5.811 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCc3c(F)cccc3Cl)nnc2[C@@H]2CCCO2)c1 2331016317 RAEKWKRLIZSTSF-IBGZPJMESA-N 446.935 5.111 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3sccc3C)c(Cl)c2)cc1 2331195314 LPKJVPPIQIUWCD-UHFFFAOYSA-N 426.921 6.224 30 10 IKEE COCCc1nnc(SCc2ccccc2Cl)n1N=Cc1cccc2ccccc12 2331286623 QYRPUBXLTDDNDB-UHFFFAOYSA-N 436.968 5.448 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1cccc2ccccc12 2331319467 WVQJSYMUBAJEIJ-UHFFFAOYSA-N 443.576 5.387 30 10 IKEE CCCCCCOc1ccc(C=Nn2c(CCCC)nnc2SCCC)cc1OC 2331343843 XOXTYQVQTKJZIO-UHFFFAOYSA-N 432.634 5.973 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2ccccc2Cl)cc1 2331499645 BLBYCBYXPCIZQW-UHFFFAOYSA-N 439.972 5.120 30 10 IKEE COc1ccc(OC)c(C=Nn2c(SCc3ccccc3Cl)nnc2C2CCC2)c1 2331529319 WRMMMZAJOPCURY-UHFFFAOYSA-N 442.972 5.391 30 10 IKEE C=CCSc1nnc(C2CCC2)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2331532361 QNPRHCLLPWZVMF-UHFFFAOYSA-N 438.984 5.938 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)CCCSC 2331540007 RXNRSMLJZLWHFX-UHFFFAOYSA-N 428.525 5.508 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)c1cccnc1 2331801055 SCZKBCFZSOPCFA-UHFFFAOYSA-N 443.543 6.202 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CC(C)C)c([N+](=O)[O-])c2)c2ccccc12 2331869433 CYLKXUTWJKDSAF-UHFFFAOYSA-N 433.460 5.604 30 10 IKEE CCOc1ccc(C=CC(=O)Nc2c(C#N)nnn2-c2ccc(-c3ccccc3C)cc2)cc1 2332190263 DYNAPWMDOVTCKR-UHFFFAOYSA-N 449.514 5.165 30 10 IKEE CCCCC[C@@H](CC)OCc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1 2377326122 GPHMCLWQBBVCKM-QGZVFWFLSA-N 425.216 5.624 30 10 IKEE COc1ccc(COc2ccc3c(c2)O/C(=C/C2=Cc4ccccc4O[C@@H]2C)C3=O)cc1 2131668 HXUSHXYODUVSHP-OXVLKEGXSA-N 426.468 5.598 30 10 IKEE O=C1/C(=C\c2ccc(Br)cc2)Oc2cc(OCc3ccccc3Cl)ccc21 2434790 FOEFCUMPJFKGQO-SRZZPIQSSA-N 441.708 6.298 30 10 IKEE CCOc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2OC)C3)c1 21227090 PUTVSNDZGHFSFM-GDJIYFAZSA-N 440.543 6.073 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2OC(C)C)cc1 21241897 NPVAWMYKFAOIMG-KNQAVFIVSA-N 433.548 5.267 30 10 IKEE CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCc2cccc(C#N)c2)cc1 21465034 GKBNTCWKCSTRDA-UHFFFAOYSA-N 426.545 5.421 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NC[C@H]1CCCO1)[C@@H]2c1ccccc1 21722105 CTZAQFNJTNQTIO-KBMIEXCESA-N 445.563 5.192 30 10 IKEE C=CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cccc(OC)c2)c1 39872815 CKBNRVVGWJZBNH-DEOSSOPVSA-N 439.467 5.116 30 10 IKEE CCc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN([C@@H](C)c3ccccc3)C4)C2=O)cc1 41588047 JMXXALNIXOXASG-ILRHRSLTSA-N 425.528 6.087 30 10 IKEE Oc1ccc2ccccc2c1/C=N/c1ccc2nc(SCc3ccccc3)sc2c1 59387236 AVQMBQYARWTBOJ-CVKSISIWSA-N 426.566 7.198 30 10 IKEE COc1ccc(-c2nc(SC)nc(Nc3cccc(Cl)c3C)c2C#N)cc1OC 62039751 JUHKAELNEZQSFZ-UHFFFAOYSA-N 426.929 5.460 30 10 IKEE CCOc1ccc2c(c1)sc1nc(-c3ccc(C#N)cc3)c(NCCCOC(C)C)n12 65319375 VMWOAMJTTNMPCK-UHFFFAOYSA-N 434.565 5.713 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)S/C1=N/c1cccnc1 101124978 NMKJKTJSOZQFGC-ATAQLJSPSA-N 432.461 5.040 30 10 IKEE CC(C)(C)c1ccc(/C=C2/Oc3cc(OS(=O)(=O)c4ccccc4)ccc3C2=O)cc1 102762055 LWAFWWKMFBBDIG-HZHRSRAPSA-N 434.513 5.368 30 10 IKEE CCCCCCCCCC(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccco1)C(C)C 102997394 BVMCHSZXVSSAQT-UHFFFAOYSA-N 440.628 6.186 30 10 IKEE CCOc1ccc2c(c1)O/C(=C/c1cccc(OCC)c1OC(=O)c1cccs1)C2=O 111703374 HQRAJKXVFAPMDC-DEDYPNTBSA-N 436.485 5.381 30 10 IKEE CCCN1C(=S)N[C@H](c2cc(Cl)c(O)c(OCC)c2)C(C(=O)c2ccccc2)=C1C 169929004 MVYBFPLKKYZXSN-HXUWFJFHSA-N 444.984 5.242 30 10 IKEE CCN1C(=S)N[C@H](c2ccccc2OCc2ccc(Cl)cc2)C2=C1CCCC2=O 169932950 LBWJHSXMVDXTTE-JOCHJYFZSA-N 426.969 5.177 30 10 IKEE CCN1C(=S)N[C@H](c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)C(C(C)=O)=C1C 169933429 XTWGJTYCXCJUIP-OAQYLSRUSA-N 449.403 5.687 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2cccc(C)c2)cc1 169972047 UTBVWCBMWJRNKP-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2cc(Cl)ccc2O)[C@@H]1c1cccs1 169987568 WLVTUFQFDAJDHR-OAQYLSRUSA-N 439.920 5.209 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2cccs2)cc1C 169988374 IQGKVMBNEBGMOD-FQEVSTJZSA-N 441.455 5.126 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2C2CCCC2)cc1 170033972 FXHMVFUGEVPLQI-HSZRJFAPSA-N 437.511 5.444 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@@H]1c1ccccc1)c1cc2ccccc2o1 170050407 XLCNJVJFFIPIFM-JOCHJYFZSA-N 447.849 6.008 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2ccccc2)c1 170052275 MOCJPPOSXPNRKO-QHCPKHFHSA-N 431.919 6.048 30 10 IKEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccccc2)cc1 170054077 UNYYKXLMZHJUMN-HSZRJFAPSA-N 447.918 5.170 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(F)cc1)c1cc2ccccc2o1 170065283 HIHXAJUSOPVTGT-HSZRJFAPSA-N 445.421 5.490 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cn(C)c3ccccc23)s1 170084216 NJXXVOAHFCNVRD-NRFANRHFSA-N 443.528 5.035 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@H]2c2ccco2)cc1 170090848 FDHJIPWQRPSRAZ-QHCPKHFHSA-N 445.515 5.759 30 10 IKEE Cc1ccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)o1 170101198 NCRAOXHCGFQEOU-QFIPXVFZSA-N 439.870 5.482 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccc(C)c2)c(C)c1 170140815 BXOBIOQVHGYZAM-XMMPIXPASA-N 427.500 5.403 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(Cl)cc3C)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1C 170153615 CSNLYDYLZOHWOY-UHFFFAOYSA-N 441.918 5.534 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cccs1 170163683 IUVFFYHOYWCTLS-LJQANCHMSA-N 431.941 5.321 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccncc2)cc1C 170203915 WZVFMLFNQMDMQF-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccccc2)ccc1Cl 170224535 PLJIDOXYNOCPES-JOCHJYFZSA-N 449.890 5.227 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@H]1c1ccccc1 170228210 RMSUVLAXJABCTB-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccc2)ccc1Cl 170228708 OIGWHZKINRTCGW-QHCPKHFHSA-N 447.918 5.830 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(O)c2)ccc1OC(C)C 170264385 ONRLUYTZEAOZDG-QHCPKHFHSA-N 435.520 5.009 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccccc1C 170270890 DGRMBKSPYBUCHJ-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2C)ccc1Cl 170273960 OMPAOOKMVGGURF-OAQYLSRUSA-N 437.879 5.029 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c[nH]c3ccccc13)N2 226876178 WHZBANUYPOABQG-DYRZZGSRSA-N 445.588 5.357 30 10 IKEE CC(=Nn1c(-c2ccc(C)c(C)c2)csc1=NC(C)C)c1ccc(Cl)cc1Cl 254387118 OTJLHBPKRUBTOY-UHFFFAOYSA-N 432.420 6.722 30 10 IKEE CCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2C)SC1=Nc1cc(C)ccc1C 254445540 RIPRXVWHSDLYBK-CUCKYGFWSA-N 425.579 5.306 30 10 IKEE CCN1C(=O)/C(=C2\Sc3ccccc3N2CC)SC1=Nc1cccc(C(F)(F)F)c1 254872370 XEPZYMMCFVOVPS-KAEHPNQASA-N 449.523 6.090 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Br)c(Cl)c1F 407596325 WPLNRYDSPFGGAY-BBRMVZONSA-N 435.765 5.362 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccccn2)c1 526605508 QZPQGMQBVLZLJV-XMMPIXPASA-N 425.488 5.189 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Cl)cc2C)c1 526773668 UKRWKXBIDJXPAG-HSZRJFAPSA-N 447.918 5.830 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1ccc(OC)c(OC)c1 526809884 WTXVJYMYVQORIY-MYYYXRDXSA-N 438.597 5.429 30 10 IKEE CCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1cc(Cl)c(O)c(Cl)c1 526811108 BIXBMLVOBJIYKK-AFPJDJCSSA-N 441.771 5.681 30 10 IKEE N#Cc1cccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 586132554 LMWXXALLYYJMLA-UHFFFAOYSA-N 431.344 5.256 30 10 IKEE Oc1ccc(Br)cc1C=Nc1ccc(C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cc1 607743627 SKBIBFMWLDMRFV-SNTCSEMISA-N 426.354 5.488 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 698455564 DHDDANGBEFKFQF-CYFREDJKSA-N 435.609 5.628 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@](C)(C#N)Cc1ccc(Br)cc1 698895674 UXPDWETWEBLWQQ-NRFANRHFSA-N 433.321 5.855 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]([C@@](C)(C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 699669621 WVEIHPBWLJHCTJ-UQBPGWFLSA-N 449.636 5.876 30 10 IKEE C=CC[C@H](C)[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCCC 715791201 XOJXFEKWQNULQI-UPVQGACJSA-N 443.676 5.516 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2cc(F)ccc2Br)c1 829353842 IOVWUZLPBHARPG-SFHVURJKSA-N 435.293 5.603 30 10 IKEE COc1ccccc1CNN=Cc1c(OCc2ccccc2Cl)ccc2ccccc12 1084056322 HWHOHGZFKAIJIL-UHFFFAOYSA-N 430.935 6.205 30 10 IKEE Cc1ccc(NS(=O)(=O)c2ccc(N=Cc3ccc(Cl)c([N+](=O)[O-])c3)cc2)c(C)c1 1084392907 JGQOQWRPMHXFSR-UHFFFAOYSA-N 443.912 5.416 30 10 IKEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1507913891 AETAQXYLCTWLKT-UHFFFAOYSA-N 440.617 5.275 30 10 IKEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCC(C)(C)C1CC1 1740541833 IOXSFULQXUORPD-OAHLLOKOSA-N 445.405 5.000 30 10 IKEE C=CCCCCCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CC[C@H](C)C1 1760419229 LTTWLUWPMJQVBJ-OALUTQOASA-N 434.588 5.213 30 10 IKEE O=C1/C(=C/c2c[nH]c3ccccc23)SC(=Nc2cccnc2Cl)N1C1CCCCC1 1772732517 FQMPIGWQSMFCQD-KZVRHOHFSA-N 436.968 6.153 30 10 IKEE CN1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC1=Nc1nccs1 1772737147 NODGGHOKPKQSPH-AHSZANDNSA-N 446.351 5.399 30 10 IKEE Cc1ccc(NC(=O)Oc2cccc3c(NC(=O)c4cccc(C#N)c4)cccc23)c(C)c1 1858779723 AUHNZMIDABRADT-UHFFFAOYSA-N 435.483 6.192 30 10 IKEE CCCCCCCCCNC(=O)[C@H](C)Oc1ccc2c3c(c(=O)oc2c1C)CCCC3 1860253683 MDMLAHFLNRLEOW-IBGZPJMESA-N 427.585 5.614 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)c1cccc(Br)c1 1861332970 KZOGYQFBVRYUQQ-IBGZPJMESA-N 425.411 5.214 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](C)NC(=O)COc1ccc(OC)cc1C(C)(C)C 1861621375 FDGFVNHAXYWUNC-HXUWFJFHSA-N 448.648 5.133 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)[C@H](C)Oc1ccccc1C(C)C 1861659753 UPRZAFPKDYGVKZ-CUNXSJBXSA-N 446.676 6.119 30 10 IKEE CCCCCCCCNC(=O)[C@H](NC(=O)c1cc(Cl)ccc1Cl)c1ccccc1 1861759785 ADKXFUFXKPNNMA-OAQYLSRUSA-N 435.395 5.941 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccccc2)cc1 1862389957 RLSVTMZFSSHJLB-SANMLTNESA-N 445.603 6.720 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc2cc[nH]c2c1 1862407311 LEYMWLYSDNYSJR-QHCPKHFHSA-N 432.520 5.253 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2ccc(C)cc2)c1 1862414040 QINUXQXUFZWMBO-HSZRJFAPSA-N 449.453 5.060 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCC)cc1 1862422695 KMMLHYWCHNJCSY-QFIPXVFZSA-N 443.490 5.522 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(OCCC)cc1 1862437186 LFYBPKOKDYPEIZ-JOCHJYFZSA-N 441.955 5.897 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CC(C)C)c1 1862437622 VOPAUPPVUVNBSQ-NRFANRHFSA-N 427.928 5.363 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CC)cc1 1862438777 QWYKPMOWRKOLNG-OAQYLSRUSA-N 427.928 5.507 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2cc(C)ccc2C)cc1 1862441235 CQRBGLJVFIJIGO-XMMPIXPASA-N 445.946 6.044 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862444740 GJNQHEGHRONAQG-HSZRJFAPSA-N 449.909 5.820 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1Cl)c1cccc(Cl)c1 1862446323 POUMZGMCGIUFHG-OAQYLSRUSA-N 438.310 5.772 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(F)cc1 1862502305 WLISSGKOOSMQQD-QHCPKHFHSA-N 449.453 5.060 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862509110 XVCZKIKQKKBXQS-IBGZPJMESA-N 436.310 5.819 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@H]2c2cccc(C)c2)cc1 1862533808 OQWRSAZCVKGIAA-VWLOTQADSA-N 441.527 5.215 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1cccc(Br)c1 1862540675 SMXMXSXKLLIBBJ-HXUWFJFHSA-N 442.353 5.390 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(C(=O)O)cc1 1862547644 ZLASMGOPCGIKDK-HSZRJFAPSA-N 447.531 5.032 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cccc2ccccc12 1862548944 DGBUFHABADJHHZ-AREMUKBSSA-N 439.555 5.953 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1c(F)cccc1Cl)c1cccc(O)c1 1862593836 YKONSGFRJZWVNC-FQEVSTJZSA-N 429.875 5.096 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1c(Cl)cccc1Cl 1862598381 RBZSXBKJFFCKPA-HXUWFJFHSA-N 448.346 5.858 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(C(=O)O)cc1 1862615450 KVSNJSSQMAMHIF-NRFANRHFSA-N 435.520 5.061 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCC)c1 1862623700 VWKYIISYKOCKRG-HSZRJFAPSA-N 435.564 5.761 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(C(C)(C)C)cc1 1862631349 OQJVFCPAMGDMAX-QRQCRPRQSA-N 435.520 5.090 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccccc1C 1862687085 GMBOGJSLPBXHPN-YKSBVNFPSA-N 435.564 5.941 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2C2CC2)cc1 1862709925 IUAACYBMJPBPCI-QHCPKHFHSA-N 435.520 5.005 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1 1862717724 KYZVWPDVCPLEHE-HSZRJFAPSA-N 442.471 5.269 30 10 IKEE COc1ccc(C2=C(Nc3ccc4ccccc4c3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862968216 CJLGDAJEJJIHCM-UHFFFAOYSA-N 445.478 5.117 30 10 IKEE Cc1cc(C2=C(Nc3ccc(C(C)C)cc3)C(=O)N(c3ccccc3C#N)C2=O)ccc1F 1863100644 YRHFYWVVQSEOJX-UHFFFAOYSA-N 439.490 5.526 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Br)cc2C(C)C)=C(c2cccs2)C1=O 1863484290 WOERSONTWGWZSW-UHFFFAOYSA-N 431.355 5.012 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1nc2ccc(OC)cc2s1 1866032595 QIGAPNYKDNEHLH-UHFFFAOYSA-N 446.701 8.505 30 10 IKEE CCCCCCCCC(=O)Nc1scc(-c2ccc([N+](=O)[O-])cc2)c1C(=O)OCC 1866090411 KRZNCPYJUSGYQS-UHFFFAOYSA-N 432.542 6.189 30 10 IKEE CC(C)[C@@H]1c2ccccc2CCN1c1cc(Nc2cccc(C#N)c2)nc(-c2cccnc2)n1 1868553503 PIZCVNOXYJJUNZ-HHHXNRCGSA-N 446.558 5.914 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3cc(OC)c(OC)cc32)nc(-c2ccc(F)cc2)n1 1869282216 DIVUBPRYISXMOX-UHFFFAOYSA-N 446.526 5.173 30 10 IKEE CCCCCCCCn1cc(OCCCCCCC)c(=O)cc1CN1CCC(CO)CC1 1870413161 UENAUPCOAYOSTH-UHFFFAOYSA-N 448.692 5.762 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(C)cc2)c(CN2C[C@H](C)O[C@@H](C)C2)cc1=O 1870416647 IGGGVENZLBKRCK-GOTSBHOMSA-N 440.628 5.163 30 10 IKEE CCCCCCCCCCn1cc(OCC(C)C)c(=O)cc1CN1CCC(N(C)C)CC1 1870437634 XVUUFXGUNYATMJ-UHFFFAOYSA-N 447.708 5.550 30 10 IKEE C=CCOc1cn(Cc2ccc(C)cc2)c(CNc2cccc(Br)c2)cc1=O 1870813759 AQRDDRYBMHXQDR-UHFFFAOYSA-N 439.353 5.144 30 10 IKEE CCCCCCCOc1cn(CCc2ccccc2)c(CNc2cccc(C)c2)cc1=O 1870830099 BZNOXTJNZDUECC-UHFFFAOYSA-N 432.608 6.361 30 10 IKEE C=CCn1cc(OCCOc2cccc(C)c2)c(=O)cc1CNc1cccc(Cl)c1C 1871209904 SGIARGQGJGYPKT-UHFFFAOYSA-N 438.955 5.374 30 10 IKEE C=CCn1cc(OCCCOc2ccc(C)cc2)c(=O)cc1CNc1ccc(Cl)cc1 1871216267 MNWYGQYLEFAHGS-UHFFFAOYSA-N 438.955 5.456 30 10 IKEE CCCCCCCCCCN=c1nc2c(cnn2C)c(Nc2cccc(OCCC)c2)[nH]1 1871299100 RSKQJHCZGZUWKN-UHFFFAOYSA-N 438.620 5.870 30 10 IKEE Cc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc2c1C(=O)/C(=C/c1ccccc1Cl)O2 1871371182 QYJYTLOANJSXOR-JAIQZWGSSA-N 435.819 5.392 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OC(=O)c4ccc(C)c(C)c4)ccc3C2=O)c1OC 1871372677 FOWRAMNMDUEPSH-QRVIBDJDSA-N 430.456 5.156 30 10 IKEE COc1ccc2c(c1)c(/C=C1\Oc3cc(OC(=O)CC4CCCCC4)ccc3C1=O)cn2C 1871380235 DNUJDEOMGLQJCF-MXAYSNPKSA-N 445.515 5.679 30 10 IKEE Cc1c(OC(=O)c2cccc(OC(C)C)c2)ccc2c1O/C(=C\C=C\c1ccccc1)C2=O 1871388014 GLJDMIWEKYYRQE-UDJOLXTBSA-N 440.495 6.174 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)c(C)c1 1871410603 FSSWVABVGJQRGF-GHRPQRKGSA-N 431.463 5.465 30 10 IKEE CCc1ccc(OCCCOc2ccc3c(c2C)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871412838 GWUDLYRUERJHJA-UQQQWYQISA-N 432.491 6.161 30 10 IKEE Cc1cc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2)cc2c1C(=O)/C(=C/c1cccs1)O2 1871414616 PDVDUJYLNWHTNS-FAPYRAKZSA-N 439.920 5.732 30 10 IKEE Cc1ccc2oc(=O)cc(COc3cc(C)c4c(c3)O/C(=C\c3cccc(F)c3)C4=O)c2c1 1871460504 PVVPLPUBCYZMSJ-MYKKPKGFSA-N 442.442 5.744 30 10 IKEE C=CCN=c1nc(Nc2ccc(OC)cc2C)[nH]c(N(CCCC)CCCCCC)n1 1871689693 QNEUDSFMFINCDU-UHFFFAOYSA-N 426.609 5.139 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@@H](C#N)C(=O)c3cccc(OCC(C)C)c3)n2)c1C 1872780118 ACEYKSBIXFHKAU-QFIPXVFZSA-N 432.589 6.569 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C\c3ccc(Cl)cc3)n2)c2ccccc12 1872788622 MQOCOSNSSOBABT-PRUHCIRGSA-N 444.943 6.515 30 10 IKEE N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc(OCc4ccccc4)cc3)c2)cc1 1872847390 JVRHUUCOBCXQPD-UHFFFAOYSA-N 434.495 5.969 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2F)C(=O)N(CCCCCC)C1=O 1873029208 FVHQEBDODZIXAE-UHFFFAOYSA-N 430.608 6.216 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C(=O)OC)cc2)=C(c2ccccc2C)C1=O 1873305612 MTACGRROKCBAAX-UHFFFAOYSA-N 448.563 5.334 30 10 IKEE C=CCn1c(C(=O)Nc2cc(C(C)C)cc(C(C)C)c2)cc2c(N3CCCC3)ncnc21 1873650114 BYBHAXOLQAIUSW-UHFFFAOYSA-N 431.584 5.717 30 10 IKEE C=CCn1c(C(=O)Nc2ccccc2C(C)C)cc2c(N3C[C@@H](C)C[C@@H](C)C3)ncnc21 1873666594 QOVKOEYMXLWRNE-KDURUIRLSA-N 431.584 5.475 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2ccc(F)cc2)cc1 1874303727 OZHWEFZRYJDVMO-WPWMEQJKSA-N 446.551 5.581 30 10 IKEE Oc1cccc(/C=N/n2c(CCc3cccs3)nnc2SCc2ccccc2F)c1 1874371892 XCCLQMWIAOPZTC-ZVHZXABRSA-N 438.553 5.144 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(C)c3)n2/N=C/c2ccccc2Cl)cc1 1874388439 MEVGUDRMIWQXKD-JVWAILMASA-N 447.007 6.314 30 10 IKEE Cc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCC(=O)Nc2cc(C)ccc2C)cc1 1874436520 FOIWVTMRRLSEMW-CVKSISIWSA-N 449.624 5.405 30 10 IKEE C=C(C)CSc1nnc(C2CCCC2)n1/N=C/c1ccc(OCCCCC)c(OC)c1 1874454999 VTTXDDIWYJLKSZ-PCLIKHOPSA-N 442.629 6.064 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCC3)n2/N=C/c2cc(Cl)ccc2O)c1 1874496020 QXZQFHSLBCHPSC-WYMPLXKRSA-N 426.973 5.696 30 10 IKEE Cn1cc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CCC2)c2ccccc21 1874497587 QJOZCWGGKDDODW-DHRITJCHSA-N 435.984 5.865 30 10 IKEE CCCOc1ccccc1/C=N/n1c(CCC)nnc1SCc1cccc2ccccc12 1874508474 FRKSOHIVXWOSHM-OVVQPSECSA-N 444.604 6.347 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C(C)C)cc1 1874512002 GWXFYJOZQNQNLR-OEAKJJBVSA-N 439.541 5.273 30 10 IKEE CCCCCOc1ccccc1/C=N/n1c(S)nnc1CCCOc1cccc(C)c1 1874567482 ZGUGHEGBWWHEGH-XIEYBQDHSA-N 438.597 5.338 30 10 IKEE Cc1ccc(NC(=O)COc2ccccc2/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1C 1874569617 ARTHHQFXWYKYEZ-ACCUITESSA-N 430.460 5.125 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1cccc2ccccc12)c1cccc([N+](=O)[O-])c1 1874571428 MRINFVHPZUANAV-ACCUITESSA-N 443.886 6.877 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccccc2)c1OCc1ccc(Cl)cc1Cl 1874578292 GPYJEIZCUCKWBT-CSKARUKUSA-N 447.745 7.131 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cccc(OCC(=O)Nc3cccc(C)c3C)c2)c(C)c1 1874600020 OSADEIDIVLHDGQ-OUKQBFOZSA-N 427.544 6.142 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc(Cl)c2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 1874602076 SRRCOXCVVSKMRG-VQHVLOKHSA-N 428.271 6.377 30 10 IKEE CCCOC(=O)COc1c(OC)cc(/C=C/C(=O)c2ccc3ccccc3c2)cc1OC 1874602392 JUXPIMUIBXQTFC-FMIVXFBMSA-N 434.488 5.085 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)N(CC)CC)c([N+](=O)[O-])c2)cc1 1874607324 IDUKNTVACIWNQX-RVDMUPIBSA-N 438.524 5.081 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OCC(=O)Nc1cccc(C)c1 1874616172 MEZVQLYYMDQYJJ-JLHYYAGUSA-N 445.515 5.234 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c([N+](=O)[O-])c2)c1 1874618275 RYRNJXSOMZBOOE-YRNVUSSQSA-N 432.432 5.595 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Cl)c1OCCc1ccccc1 1874620119 JZQDYMQACCUGDQ-FMIVXFBMSA-N 438.926 6.704 30 10 IKEE COc1cc(C(=O)/C=C/c2ccc(OCc3cc(C)ccc3C)cc2)c(OC)cc1Cl 1874630195 POCVMMIBSYLWRW-FMIVXFBMSA-N 436.935 6.449 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3ccccc3)c(OC)c2)c(OC)c1 1874632842 XKZZLTOYBVMAHM-JLHYYAGUSA-N 434.488 5.196 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCCOc3ccccc3C)c2)cc1 1874697664 JUUNDTAOVRPSIY-SFQUDFHCSA-N 430.500 5.664 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(Br)cc3)c2)c1 1874703148 AZUOYMCASUOTLW-JLHYYAGUSA-N 449.344 6.110 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(Cl)cc2)CSc2nnc(C(C)C)n21 1874852107 HNZOBLBZCNWBME-IBGZPJMESA-N 435.037 6.117 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(Cl)c1OC(=O)CC(C)(C)C 1875095073 XANWSWIEHVHJIO-FMIVXFBMSA-N 436.935 6.740 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(OC)c1OC(=O)c1ccc(F)cc1 1875100799 DKJKDCPILMFGDZ-CXUHLZMHSA-N 444.502 6.241 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1 1875111483 JBISENAGBBBLOM-SAPNQHFASA-N 434.919 6.309 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(C(F)(F)F)cc2)cc1)c1ccc([N+](=O)[O-])cc1 1875116915 ZGRRNERAESTBTQ-LZWSPWQCSA-N 441.361 5.729 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1[N+](=O)[O-])c1ccc(F)cc1 1875120801 LDWRYDIKZCHKBE-XLUWADSXSA-N 427.334 5.127 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)CSc1ccccc1 1875133456 VSQASAPAPASHNE-SDNWHVSQSA-N 448.540 5.606 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)cc3)c([N+](=O)[O-])c2)c1 1875139269 AECDPEDADHGGFE-YRNVUSSQSA-N 433.435 5.395 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)cc2)cc1 1875147035 OGYZECNHEWQXBG-NTEUORMPSA-N 442.511 5.455 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2)cc1 1875156020 HHSFRNXKMNJNBY-QGMBQPNBSA-N 428.528 6.253 30 10 IKEE Cc1cccc(C)c1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1 1875156218 PLQONKOJEGGVPY-LICLKQGHSA-N 428.528 6.307 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc(OC)c1OC(=O)CC(C)C 1875171337 RFDWRNFXPABVFG-ZHACJKMWSA-N 436.548 5.897 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC(C)(C)C)c(Br)c2)cc1C 1875175600 XQWBYHYDPPPBDD-JXMROGBWSA-N 429.354 6.304 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc(Cl)c1OC(=O)CC(C)C 1875184826 SIBZOFUDWJXTNB-PKNBQFBNSA-N 442.983 6.802 30 10 IKEE N#Cc1cncc(C2=CCN(C(=O)CCc3cccc(Oc4ccc(F)cc4)c3)CC2)c1 1890703445 FGTKIAATDRCXGX-UHFFFAOYSA-N 427.479 5.133 30 10 IKEE CCN(CC)c1cccc(OCC#CCNC(=O)c2ccc(Cl)cc2C(F)(F)F)c1 1891088171 ORGRDBLBZHGNND-UHFFFAOYSA-N 438.877 5.017 30 10 IKEE N#CC1(c2ccc(C(=O)N3CCc4nc5ncc(-c6ccccc6)cc5cc4C3)cc2)CC1 1891515282 DXGRLDFNEZFDFT-UHFFFAOYSA-N 430.511 5.050 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@H](C#N)c1c(Br)cccc1Br 1938364735 IJHBWTLYAFXFRL-CQSZACIVSA-N 446.183 5.669 30 10 IKEE C[C@H]1CN(Cc2ccccc2)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1949311730 FRCHDYKTXZUJBY-UQBPGWFLSA-N 439.987 5.886 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@@H](C(C)C)N(Cc3ccccc3)C2)c1 2029764089 OCXHXIMYQWGPNC-RPLLCQBOSA-N 433.596 5.929 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)cc1 2031670671 UHMVCSUHRAPKCB-HXUWFJFHSA-N 441.503 6.179 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2c(F)cccc2Cl)o1 2033813059 FSCLNTROJQQVJN-GOSISDBHSA-N 431.872 5.221 30 10 IKEE C=C1CCC(C[C@H](C[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)NCCC)CC1 2035472194 YVROVDBGCSNWCF-RPBOFIJWSA-N 444.660 5.991 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCC)c2c(C)sc(C)c2Br)C1 2077085358 JKGDTMOJOHMZQO-INIZCTEOSA-N 429.424 5.392 30 10 IKEE CC(C)(C)c1nn(-c2ccc(F)c(C(F)(F)F)c2)c(Br)c1C(F)(F)F 2079693072 BRXUQWVEWUMBEF-UHFFFAOYSA-N 433.165 6.109 30 10 IKEE CCCc1ccc([C@@H](CC)n2nc(C(F)(F)F)c(C#N)c2I)cc1 2079902940 FMJGIDDARHQPLY-CQSZACIVSA-N 447.242 5.330 30 10 IKEE Cc1ccc(Br)cc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 2098578611 IKLLLZIOHJDYER-GOSISDBHSA-N 435.749 6.417 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1cc2sccc2s1 2140590044 PNFWHEPLEMGLFB-AWEZNQCLSA-N 449.395 6.732 30 10 IKEE CN1[C@H]2CC[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c1cccc(Br)c1)CC2 2154185189 DCKYMLVVHLAARE-MDKPJZGXSA-N 434.378 5.100 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCC[C@H]2Nc2ccc(C#N)cc2Br)CC1 2162397427 IPRFEAREXSFSPX-GOSISDBHSA-N 434.378 5.302 30 10 IKEE CCC[C@@]1(CNc2ccc(C#N)c(Br)c2F)CCCN1C(=O)OC(C)(C)C 2162412601 AYIHARVGORLOGR-FQEVSTJZSA-N 440.357 5.442 30 10 IKEE C=CC[C@]1(COc2nc(C)ccc2Br)CCCCN1C(=O)OC(C)(C)C 2272233537 DXBPZGWAVXESKO-HXUWFJFHSA-N 425.367 5.267 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(F)cc(Br)c1F 2272726454 OHOBCOGTZGHMRS-WBVHZDCISA-N 433.337 5.237 30 10 IKEE Cc1cc(O)cc(C)c1[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2282824288 GEJBFKYFTVDEGE-SFHVURJKSA-N 431.330 5.778 30 10 IKEE C=C(COCc1ccccc1)[C@@](C)(OCCC(=O)O)c1ccc(F)c(Br)c1 2291627106 KEWWKIGXMORFTO-OAQYLSRUSA-N 437.305 5.068 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C 2296269529 PISPXZMEFAHLST-OALUTQOASA-N 437.422 5.108 30 10 IKEE CC=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C#Cc1ccc(Br)cc1)NCCC 2296300642 KVJNUYJHFFIKJP-WOJBJXKFSA-N 435.406 5.028 30 10 IKEE COC(=O)c1ccc(N=C2SC(=Cc3cc(C(C)C)c(OC)cc3C)C(=O)N2C)cc1 2296473052 WEVCKVMWAVHJNI-UHFFFAOYSA-N 438.549 5.147 30 10 IKEE O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@@H](c2ccccc2)C1=C(O)c1cccs1 2296766501 XZXPLAAQCYRUHG-SFHVURJKSA-N 436.489 5.123 30 10 IKEE O=C1C(=Cc2ccc(-c3ccc(F)cc3)o2)SC(=Nc2ccccc2)N1c1ccccc1 2297200102 DWAQYJZMXFBFCW-UHFFFAOYSA-N 440.499 6.894 30 10 IKEE COc1ccc(Br)cc1C=C1SC(=Nc2cccc(Cl)c2C)NC1=O 2297366903 RZJJOTLNKDOYAX-UHFFFAOYSA-N 437.746 5.311 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@]1(NC(=O)OC(C)(C)C)C[C@@H]2CCCC[C@@H]21 2298668565 KLERPAVUECNLHS-OHTANWTRSA-N 428.617 5.211 30 10 IKEE CC(C)(C)OC(=O)NC1(C(F)(F)F)CC(C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)C1 2302014183 LBBXRKWCXGWXJZ-UHFFFAOYSA-N 447.498 5.048 30 10 IKEE CCCOc1ccc(C=NNc2oc([C@H]3C[C@H]3c3ccccc3)nc2C#N)cc1OCC 2320836902 DVHDFXMCQVEHIX-PMACEKPBSA-N 430.508 5.451 30 10 IKEE CCCSc1nnc(C)n1N=Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 2321174547 KKGIYYREDLFWCP-UHFFFAOYSA-N 430.961 5.212 30 10 IKEE COc1cc(C=Nn2c(S)nnc2C2CC2)ccc1OCc1c(Cl)cccc1Cl 2321884392 RFRRIOMKUNBNHU-UHFFFAOYSA-N 449.363 5.221 30 10 IKEE COc1ccc(CCN2COc3cc(C)c4c(c3C2)OC(=Cc2ccccc2F)C4=O)cc1 2321937610 CXBDEQWTMQIBTM-UHFFFAOYSA-N 445.490 5.154 30 10 IKEE Cc1ccc(COc2ccccc2C=Nn2c(S)nnc2[C@@H](C)c2ccccc2)cc1 2321962062 GCXVMKPSEVSPCG-IBGZPJMESA-N 428.561 5.488 30 10 IKEE CCn1cc(C=C2Oc3c(ccc4c3CN(Cc3ccccc3)CO4)C2=O)c2ccccc21 2321981678 JZJBTXXWGKCUOB-UHFFFAOYSA-N 436.511 5.630 30 10 IKEE Cc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(Cc1ccc2c(c1)OCO2)C3 2322102131 GGKZQFFUGOQXKX-UHFFFAOYSA-N 441.483 5.000 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2cccc(Cl)c2)cc1 2322401978 IKLNKIDRUYOCCK-UHFFFAOYSA-N 434.963 7.166 30 10 IKEE CCCNC(=O)COc1ccc(Br)cc1C=CC(=O)c1ccc(C(C)C)cc1 2322725109 DYKLVUJSKFCGSN-UHFFFAOYSA-N 444.369 5.374 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccccc2C=CC(=O)c2c(C)cc(C)cc2C)c1 2322945363 ZTVWWNNTKKOJDX-UHFFFAOYSA-N 427.544 6.142 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)c(Br)c1OCCO 2323073172 PUGZFLAFDAXPFE-UHFFFAOYSA-N 446.124 5.032 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2C)C3=O)cc1OC 2323097671 HWTDLFYCZBSOSY-UHFFFAOYSA-N 444.483 5.167 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1OCC(=O)Nc1ccc(C)c(C)c1 2323120258 LHVIKXVJKHGAHJ-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OC(=O)c4ccc(F)c(F)c4F)ccc3C2=O)cc1 2323126590 RDFHVNHTPARDFU-UHFFFAOYSA-N 440.373 5.338 30 10 IKEE Cc1c(OC(=O)c2ccccc2[N+](=O)[O-])ccc2c1OC(=Cc1cccc(Cl)c1)C2=O 2323154025 MKYKTVSJKLUDRT-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cccc(OCC(=O)N[C@@H](C)c2ccccc2)c1 2323260288 PVGSEOZFRIONAL-NRFANRHFSA-N 443.543 5.464 30 10 IKEE Cc1c(C(=O)Oc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)cccc1[N+](=O)[O-] 2323260525 RJPLYHRHJZQNJJ-UHFFFAOYSA-N 427.412 5.295 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OCC(=O)Nc1ccccc1C 2323280132 ULRHHWYJRIEUJB-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE Cc1cc(OC(=O)Cc2cc(Cl)ccc2Cl)cc2c1C(=O)C(=Cc1ccccc1)O2 2323404542 YFGOUAPIPMDTCR-UHFFFAOYSA-N 439.294 6.066 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)NCc3ccccc3)cc2)cc1 2323921315 FTLDRBPXMVNLNZ-UHFFFAOYSA-N 429.516 5.067 30 10 IKEE C[C@H](NC(=O)COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1Cl)c1ccccc1 2324183355 WJTHQHUEMRBOJX-KRWDZBQOSA-N 437.898 5.631 30 10 IKEE CCCCOC(=O)COc1ccc2c(c1C)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2324297950 WNBOAGKXDBWKNL-UHFFFAOYSA-N 435.303 5.640 30 10 IKEE Cc1cccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccc(C)cc4C)cc(C)c3C2=O)c1 2324494556 AUFAIEXTOJFNAH-HXUWFJFHSA-N 441.527 5.942 30 10 IKEE C=CCc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OCC(=O)OCCC 2324563964 LEIMSCSDYXARAZ-UHFFFAOYSA-N 436.548 5.577 30 10 IKEE Cc1c(OCCOc2ccc(Cl)cc2)ccc2c1OC(=Cc1ccc(Cl)cc1)C2=O 2324666223 KHAVJJOTFICWIP-UHFFFAOYSA-N 441.310 6.376 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OCC(=O)Nc3ccc(Cl)cc3C)c2C)C1=O 2325716700 HRSCMXYKWNRDQT-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)CCc3ccc(CC)cc3)c2)cc1 2325739520 IRKOJMCRFHMWNX-UHFFFAOYSA-N 442.555 6.472 30 10 IKEE Cc1ccc(C(=O)Oc2cccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)c2)cc1[N+](=O)[O-] 2325756914 ISPAHBBECMPOPY-UHFFFAOYSA-N 443.499 6.252 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1sccc1C 2325909987 RNUJWYPZRFDGLZ-UHFFFAOYSA-N 439.393 5.694 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1ccc(OC(C)(C)C)cc1 2326442755 FMHJBFDWADJZBY-UHFFFAOYSA-N 436.625 6.199 30 10 IKEE CCCCOc1cccc(C=Nn2c(C)nnc2SCc2c(Cl)cccc2Cl)c1 2326514690 VVPJDJFOBXEFBD-UHFFFAOYSA-N 449.407 6.247 30 10 IKEE CCCCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1N=Cc1ccc(F)cc1 2326881342 HZPNZPQDZMBBRK-UHFFFAOYSA-N 444.532 5.093 30 10 IKEE CCCSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1ccccc1Cl 2327385536 CRSQCTUKEUPSGM-UHFFFAOYSA-N 428.989 5.847 30 10 IKEE C=C(C)CSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc([N+](=O)[O-])cc1 2327744778 YAXAESAVOPDRSS-UHFFFAOYSA-N 443.532 5.481 30 10 IKEE CCCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1cccc2ccccc12 2328075441 ANMXBUKUHHWXSO-UHFFFAOYSA-N 434.996 6.254 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2ccccc2)n1N=Cc1cccc(F)c1 2328557054 WXAVQENZQPASPW-UHFFFAOYSA-N 446.551 5.788 30 10 IKEE Cc1ccccc1CCc1nnc(SCCc2ccccc2)n1N=Cc1ccc(F)cc1 2329489228 KCDDKNZOPDMFSY-UHFFFAOYSA-N 444.579 5.728 30 10 IKEE CCN1C(=O)COc2ccc(C(=NOC(c3ccccc3)c3ccccc3)C3CC3)cc21 2330343379 XLKLPOQIJIPAJU-UHFFFAOYSA-N 426.516 5.352 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2-c2ccccc2)cc1 2330651663 GFXWPJZCBDCKEP-UHFFFAOYSA-N 444.579 6.556 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Br)c2)ccc1OC(=O)CCCSC 2331016024 UDVWHRFOVRTLIB-UHFFFAOYSA-N 449.366 5.402 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2C2CCCC2)cc1 2331066170 UFFRLZIWSJJHCV-UHFFFAOYSA-N 436.600 6.547 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2[N+](=O)[O-])cc1 2331146246 JWGVRVQLZZFBIC-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)c1ccc(F)c(F)c1F 2331165096 VMKJUHQZDYJGGP-UHFFFAOYSA-N 442.389 5.236 30 10 IKEE CCCSc1nnc(CCOC)n1N=Cc1ccccc1OCc1ccccc1Cl 2331295761 BEPNSQDMURQMCC-UHFFFAOYSA-N 444.988 5.084 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3)c([N+](=O)[O-])c2)c1 2331322978 PPFJRYJZBOVGHH-UHFFFAOYSA-N 429.472 5.646 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)Cc1ccc(F)c(C)c1 2331508776 UQKJCKWQCUJYSV-UHFFFAOYSA-N 446.518 6.310 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)c1ccccc1C 2331571096 MOMXKTFAQVCARM-UHFFFAOYSA-N 448.465 6.126 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(F)c3)c(Cl)c2)c(C)c1C 2331612894 SOTGPPIDGZEUPC-UHFFFAOYSA-N 438.882 6.220 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2cc(Cl)c(OC(=O)C(C)C)c(OC)c2)c1 2331673735 ZVAFTMUGFFVHGM-UHFFFAOYSA-N 446.927 5.604 30 10 IKEE CC(C)c1nnc(SCc2ccccc2Cl)n1N=Cc1c(Cl)cccc1Cl 2331702097 NRHQFFBYPCLMGQ-UHFFFAOYSA-N 439.799 6.536 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)C1CCCC1 2331708158 IKDVKIACQQTFNX-UHFFFAOYSA-N 426.940 6.347 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)C(F)(F)F)c(Cl)c2)c(OCC)c1 2331733929 FBQSLWMOSPNTFP-UHFFFAOYSA-N 442.817 5.501 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)c1ccccn1 2331767582 RPMOQLNNXVWZRN-UHFFFAOYSA-N 431.488 5.139 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)CC(C)(C)C)c(OC)c2)cc1Cl 2331818919 GNFKOHXBMUBNQU-UHFFFAOYSA-N 446.927 5.604 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1C 2331835437 MZPRWENOHACMCT-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)c(OC)cc2C)ccc1OC(=O)c1cccs1 2331852540 ATEDGAHGDKBQFK-UHFFFAOYSA-N 436.529 5.888 30 10 IKEE CC(C)(C)OC(=O)NCCCC(C)(C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339604841 VRESLYXSAOHBQL-FYWRMAATSA-N 446.397 5.189 30 10 IKEE CO[C@@H](C#C[C@@H](N)c1cc(NC(=O)OC(C)(C)C)ccc1Br)C1CCCC1 2369568035 KUXFEZMIASDQMP-MOPGFXCFSA-N 437.378 5.005 30 10 IKEE O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccc3c(c1)OCO3)Nc1ccc3ccccc3c12 9601021 YDSDGVVXZWVWDR-DFXYEROKSA-N 445.518 6.636 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1cc(-c3ccccc3)nn1[C@H]2c1ccc(Br)cc1 21658676 QOFOVDHFAAHVSP-QHCPKHFHSA-N 448.364 5.971 30 10 IKEE Cc1ccc(Cl)cc1N/C(=N\C(=O)c1cccc(F)c1)NCCc1c[nH]c2ccccc12 32943255 QYMCVYZGJQUEPQ-UHFFFAOYSA-N 448.929 5.709 30 10 IKEE C=CCOc1cccc2c1cc(C(=O)NC1CCN(Cc3ccccc3)CC1)n2C/C=C\C 35927728 QCSIRJPYFSARMI-HYXAFXHYSA-N 443.591 5.177 30 10 IKEE Cc1cc2c(n1-c1ccccc1)CC(C)(C)C/C2=N\OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C 39853085 MEEQSYLKXXOTIX-PAXMVHSXSA-N 448.563 5.127 30 10 IKEE C[C@@H](c1ccccc1)N1COc2ccc3c(c2C1)O/C(=C\c1ccc(C(C)(C)C)cc1)C3=O 41659180 RTGPPOZLOOKWBX-HPUZFYODSA-N 439.555 6.513 30 10 IKEE C=CCn1c(SCCC(=O)N(c2ccccc2)c2ccccc2)nnc1-c1ccccc1 59776132 MRMIVTNQGZQURS-UHFFFAOYSA-N 440.572 5.978 30 10 IKEE Cc1cc(C)cc(/N=C2\NC(=O)/C(=C\c3cc(Cl)cc(Br)c3O)S2)c1 83308479 KBXCPNGSWKXTCB-VIZOYTHASA-N 437.746 5.317 30 10 IKEE COC(=O)c1ccc(/C=C(/C(=O)c2cc(OC)cc(OC)c2)c2nc3ccccc3o2)cc1 97514606 QNFZMVNIBKEMSX-MTJSOVHGSA-N 443.455 5.055 30 10 IKEE C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)Oc1cccc(OC(=O)[C@]34CC[C@@H](C3)C(C)(C)C4=C)c1)C2 100937559 XMIXRQKGAGCYHZ-LNYGVPGBSA-N 434.576 6.262 30 10 IKEE C=CCN1C(=O)/C(=C/c2c(Cl)cccc2Cl)S/C1=N/c1cccc(C(=O)O)c1 101132884 CKBFHZHZJCJEMO-RVIYGNEXSA-N 433.316 5.482 30 10 IKEE O=C1C(=C2c3ccccc3C(=O)[C@H]2C(c2ccccc2)c2ccccc2)C(=O)c2ccccc21 101515431 XZEIYLAQNGFBPY-MHZLTWQESA-N 440.498 6.164 30 10 IKEE CCCCCCCCCCCCCCCCCCn1c(CNC(C)=O)nc2ccccc21 102215507 GQBCNEROJFBNQM-UHFFFAOYSA-N 441.704 7.934 30 10 IKEE F[C@@H]1OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F 103569483 JWHDCBFZRQLWTF-PVQJCKRUSA-N 448.072 5.352 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\n2c(SC)nnc(C)c2=O)c(Cl)c1 169882574 MMOFPRQOZAVASA-HAHDFKILSA-N 437.009 5.334 30 10 IKEE COc1cc(/C=N\S(=O)(=O)c2ccccc2)ccc1OCc1ccc(C(C)(C)C)cc1 169908352 UDKHOKWPNRGIFN-ONUIUJJFSA-N 437.561 5.380 30 10 IKEE CCCN1C(=S)N[C@@H](c2ccc(Oc3ccc(Cl)cc3)cc2)C2=C1CCCC2=O 169929774 RWMPQZWMRVRVDC-QFIPXVFZSA-N 426.969 5.781 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2OC)cc1 169942249 QREMOSWPIVNGJL-HSZRJFAPSA-N 431.463 5.180 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2C2CCCCC2)c1 170039229 CXHNXMCTKRYVIO-DEOSSOPVSA-N 433.548 5.613 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(O)c(Cl)c1)c1ccc(F)cc1 170042174 HUNOPOYAAIWQNR-FQEVSTJZSA-N 429.875 5.096 30 10 IKEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccccc2)cc1 170054056 GEBQTQCUKULEGT-VWLOTQADSA-N 441.527 5.133 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1ccc(F)cc1)c1ccc(F)cc1 170063964 XFYIAXIKDIITNV-FQEVSTJZSA-N 427.353 5.026 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1c[nH]c2ccccc12)c1ccc(Cl)cc1 170076734 PDALPUXAJVLTHC-OAQYLSRUSA-N 432.863 5.193 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 170078133 MIPINSDVGCLRFJ-DEOSSOPVSA-N 439.515 5.560 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C2CCCCC2)c1 170145377 OMAYMUAISMQFRM-VWLOTQADSA-N 425.528 6.059 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccc(OC(C)C)c1 170153084 IPVONRGPUUHIOU-HSZRJFAPSA-N 433.504 5.598 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2cccc(OC(C)C)c2)c1 170153374 HYCBIBFLPQMTLR-QHCPKHFHSA-N 437.536 5.251 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)cc2OC)[C@H]1c1cccs1 170165566 FMFSTGIGADEJRS-LJQANCHMSA-N 449.956 5.187 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2cccnc2)c1 170187122 AYURJQXERVSQNX-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccccc1 170223010 MSCKQULJVYCLGX-JOCHJYFZSA-N 449.453 5.373 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccc(F)cc2)cc1 170239900 UWRFHCCPTHEDMK-DEOSSOPVSA-N 445.490 5.704 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@H]1c1ccc(C(C)C)cc1 170245909 QUQBFGWGGRAIAQ-RUZDIDTESA-N 449.591 6.367 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccccc1C 170272552 CHYSMYLYMWTWSL-XMMPIXPASA-N 443.499 5.104 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1Cc1ccccn1 170274386 WQWZVMJLBMCYSV-VWLOTQADSA-N 438.527 5.047 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(OCC)cc3)[C@@H]2c2ccco2)c1 170285203 IQFCMUSACQXPHB-HSZRJFAPSA-N 447.487 5.250 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccco2)cc1C 170289500 VVPFYKHSOUNGED-HSZRJFAPSA-N 431.488 5.386 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2ccc(C)o2)cc1 170303936 SYUYYRUHZGLWJS-QHCPKHFHSA-N 429.472 5.004 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1c(C)[nH]c2ccccc12 170312385 PLEJAUDCGUXWHE-QFIPXVFZSA-N 448.906 5.864 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1Cc1cccs1 170312559 WPYPHRAUZZGIGT-IBGZPJMESA-N 435.526 5.643 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(O)cc2)cc1Cl 170339482 ZTPFBFZVSVTGOZ-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE CC(C)Oc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 170347164 XVWGPQCSXSFDPX-QFIPXVFZSA-N 444.512 5.190 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2ccc(N(C)C)cc2)c1 170443080 PXWWCXAIAXRUJK-QFIPXVFZSA-N 436.552 5.057 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCSCC)C(=O)O 170505351 SCRBTDXXULGWQQ-QFIPXVFZSA-N 429.711 6.961 30 10 IKEE Cc1cccc(N=C2S/C(=C\c3ccc4c(c3)OCO4)C(=O)N2c2cccc(C)c2)c1 252618119 LECXDHANEYQVFW-WPCCGSCNSA-N 428.513 5.841 30 10 IKEE CCOc1cccc(/C=C2/C[C@](O)(C(F)(F)F)C/C(=C\c3cccc(OCC)c3)C2=O)c1 253426976 UFKQLUWTDJQQIR-BBMLPHBDSA-N 446.465 5.607 30 10 IKEE C=CCn1c(SCCC(=O)Nc2ccc(F)cc2)nnc1C12CC3CC(CC(C3)C1)C2 253577362 WZEUPFSUVLJLMM-UHFFFAOYSA-N 440.588 5.192 30 10 IKEE C=CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1-c1ccc2ccccc2c1 253577541 XEIATNAJUNNYOD-GOSISDBHSA-N 428.561 5.254 30 10 IKEE Cc1ccc(N=C2S/C(=C3/Sc4ccccc4N3C)C(=O)N2c2ccc(O)cc2)cc1 254868680 BVJSFNFFKGSJEW-CSFSZXLXSA-N 445.569 5.879 30 10 IKEE COc1ccc(OC)c(/C=C2/SC(=Nc3c(C)cccc3C)N(c3ccccc3)C2=O)c1 254876043 OLVQEPYPKVCBKT-GQUXDKRHSA-N 444.556 6.129 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2sccc2C)cc1 526515695 LDQCNSKLBPCMBI-QFIPXVFZSA-N 430.529 5.774 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1cccc([N+](=O)[O-])c1 526817074 OLSVSOZHQZVZMV-XKZIYDEJSA-N 429.933 5.357 30 10 IKEE CCOc1cccc(/C=N\n2c(CC)nnc2SCc2cccc3ccccc23)c1O 526821388 QABYJBDPTNPNJL-MYYYXRDXSA-N 432.549 5.273 30 10 IKEE CCOc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2ccc(C(C)C)cc2)cc1 586252638 PODMZMKKZHWJNB-UHFFFAOYSA-N 434.561 5.476 30 10 IKEE Cc1ccc(C)c(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(OC(C)C)cc2)c1 586254667 VLSBUZKUKIGRRZ-UHFFFAOYSA-N 434.561 5.358 30 10 IKEE N#Cc1ccccc1NC(=O)Nc1cccc(C(=O)NCc2cccc(C(F)(F)F)c2)c1 586698414 AQRAIVNQTWQEKW-UHFFFAOYSA-N 438.409 5.151 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1ccc2c(c1)CCO2 698482802 QYACDAZTXVFZHB-SFHVURJKSA-N 429.314 5.390 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@H](C#N)c1cc(Cl)ccc1Br 698966456 NOIKBCOFAYYIAZ-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE N#C[C@H](C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1)c1nc(O)c2c3c(sc2n1)CCCC3 731287402 ALUAMVUYSCZGKW-HSALFYBXSA-N 439.540 5.409 30 10 IKEE Cc1c(Cl)cccc1NC(=S)/C(=C(/O)c1ccc(C#N)cc1)[n+]1cc(O)ccc1C 762438316 NSJDUKMPLCTILP-UHFFFAOYSA-O 436.944 5.145 30 10 IKEE CCOc1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc(CC)cc2)cc1 917612119 ICQWKAIZQMLLRL-UHFFFAOYSA-O 430.553 5.130 30 10 IKEE CC[C@@H](C)c1ccc(OCCOc2c(Cl)cc(Cl)cc2C=Nn2cnnc2)cc1 1565504440 ZRJJEOLWVAPPKB-OAHLLOKOSA-N 433.339 5.438 30 10 IKEE C#CCN(CC(=O)Nc1nc(C)c(Cc2ccc(C)cc2)s1)[C@@H]1CCCc2ccccc21 1655692904 VFLASCXSINXIMR-XMMPIXPASA-N 443.616 5.302 30 10 IKEE CC(/C=C1\SC(=Nc2cccc(C(=O)O)c2)N(c2ccccc2)C1=O)=C\c1ccccc1 1772733486 ATUDHUJHRJYQAY-ZWJJNWPCSA-N 440.524 6.140 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=Nc1nc(C)cs1 1772736309 TWKPXYNQKYZCFX-NFFGIOBBSA-N 440.506 5.244 30 10 IKEE C=CCN1C(=O)/C(=C/C(Cl)=C\c2ccccc2)SC1=Nc1ccc(O)cc1C(=O)O 1772761107 VTDNHPZJSIJIFQ-QBBUTKDVSA-N 440.908 5.003 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc3c(OC(=O)Cc4ccc(Cl)cc4)cccc23)c1 1858930045 PCZGPBQIHUIKRZ-UHFFFAOYSA-N 440.886 5.765 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccc(F)cc2)cc1 1862391423 ZXSUUHJCUJUPOC-XMMPIXPASA-N 444.506 5.342 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2c(Cl)cccc2Cl)cc1 1862394346 LMFUBEUMSBKOFF-OAQYLSRUSA-N 446.374 6.324 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2ccc(C)cc2)cc1 1862413479 DSOCLLBFELACJO-QHCPKHFHSA-N 449.453 5.060 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C(C)C)cc1 1862477790 RPTWBKQOIWCYFZ-AHWVRZQESA-N 447.619 7.056 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1cccc2ccccc12 1862532438 WZLORDYJVSCPKS-RUZDIDTESA-N 443.543 5.407 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cccc(Cl)c1)c1ccc2c(c1)CCCC2 1862547968 HMBKYNMSZZNHOQ-DEOSSOPVSA-N 449.978 6.130 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(C(C)(C)C)cc1 1862592701 IOKNCKRNDMBGPB-CUHUQNRHSA-N 447.575 5.847 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccccc1C(=O)O 1862616853 TXBCSSFTBHCVJO-QVKFZJNVSA-N 435.520 5.059 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc2c(c1)CCCN2C 1862622746 HLVIJLMUTNMYNG-DEOSSOPVSA-N 446.591 5.353 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(Cl)cc2)cc1 1862664028 VNDDNNDQMKTHMM-QHCPKHFHSA-N 446.934 5.637 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(N(C)C)cc1 1862664632 NJEMAWNGTIKYEI-RUZDIDTESA-N 448.607 6.035 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862672361 BHYKACWLAXXTSE-XMMPIXPASA-N 433.523 5.857 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1c(F)cccc1Cl 1862677655 HVACOPPPGCWYBQ-LZHZSBQWSA-N 445.893 5.775 30 10 IKEE CN1CCCc2cc([C@@H]3C(C(=O)c4ccc(F)cc4)=C(O)C(=O)N3C3CCCCC3)ccc21 1862679427 CTTLPSVVPDZURK-XMMPIXPASA-N 448.538 5.119 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cccc(O)c1)c1ccc(-c2ccccc2)cc1 1862721915 LVRSQIRNEBMOQA-VWLOTQADSA-N 439.511 5.580 30 10 IKEE Cc1cccc(NC2=C(c3cc(Cl)ccc3Cl)C(=O)N(c3ccccc3C#N)C2=O)c1 1863017503 BDFSQOHZSLJASS-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE CCCCCCCCNC1=C(c2ccc(OC(C)C)cc2)C(=O)N(CCC(C)C)C1=O 1863702745 WJIXSOVHZYEDIB-UHFFFAOYSA-N 428.617 5.550 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N(C)Cc1nc2ccccc2[nH]1 1866342574 PXUYHLKADUGQCR-UHFFFAOYSA-N 427.677 7.783 30 10 IKEE C=CCN(CC=C)c1cc(N2C[C@H](c3ccccc3)Cc3ccccc32)nc(C(C)(C)C)n1 1869188178 NRJOIKSHNZSXLT-XMMPIXPASA-N 438.619 6.431 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(F)cc2)cn1Cc1cccc(C)c1 1870625809 UCQSKTJUABAVFH-UHFFFAOYSA-N 432.539 5.097 30 10 IKEE C=CCOc1cn(Cc2ccc(C)cc2)c(CNc2ccc(Cl)c(Cl)c2)cc1=O 1870813903 JKUQABCYEALPLX-UHFFFAOYSA-N 429.347 5.689 30 10 IKEE CCCCCCCOc1cn(CCc2cnc[nH]2)c(CNc2ccc(F)c(F)c2)cc1=O 1870836689 QHUNNVBMOCJWLI-UHFFFAOYSA-N 444.526 5.054 30 10 IKEE C#CCOc1cn(CCCCCCCCCC)c(CNc2cccc(N(C)C)c2)cc1=O 1871006126 QGHMNVSXCZTUQY-UHFFFAOYSA-N 437.628 5.679 30 10 IKEE CCCCCCCCn1cc(OCCC)c(=O)cc1CNc1ccc(Br)cc1 1871105851 XZVZYODCQOMBHD-UHFFFAOYSA-N 449.433 6.372 30 10 IKEE CCCCCCCCN=c1nc2c(cnn2C)c(Nc2cccc(OC(F)(F)F)c2)[nH]1 1871295795 ZQWNYJISMIUERG-UHFFFAOYSA-N 436.482 5.200 30 10 IKEE Cc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(CCc3c[nH]c5ccccc35)C4)C2=O)o1 1871350182 PAHWLOKDLYZRCT-MSXFZWOLSA-N 440.499 5.389 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(cc3c(c2C)OCN(CCCCN2CCCC2)C3)C1=O 1871354821 CJDAHUINXVQTBH-STZFKDTASA-N 438.593 5.009 30 10 IKEE Cc1cc(OC(=O)c2cnccn2)cc2c1C(=O)/C(=C/c1ccc(-c3ccccc3)cc1)O2 1871369845 HNRFGLRPXGDJKZ-OYKKKHCWSA-N 434.451 5.287 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(OCC)cc2)C3=O)cc1 1871389901 TUVQTWBLHKIZKQ-XYGWBWBKSA-N 442.467 5.486 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc(OCCOc3ccc(OC)cc3)c2C)C1=O 1871415221 WBVGLRKVNXPOPC-UQQQWYQISA-N 446.499 5.476 30 10 IKEE CCCC[C@H](Oc1ccc2c(c1)O/C(=C\c1cn(CC)c3ccc(OC)cc13)C2=O)C(=O)O 1871423630 VSYVQUYQCBVCKW-LRRLVBENSA-N 449.503 5.308 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)c1 1871460545 SKZZNGMEDYOWKC-FMCGGJTJSA-N 433.891 5.591 30 10 IKEE CCCCCCCCN=c1nc(N(CC)CCCC)[nH]c(=Nc2ccccc2CC)[nH]1 1871558929 IBDQQUHIJFXWGW-UHFFFAOYSA-N 426.653 5.420 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)CCCC 1871789151 WEVRDWADPBSLCW-LJQANCHMSA-N 449.444 5.499 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1ccc(C)cc1 1872056278 MNEFWERATANORK-QHCPKHFHSA-N 446.588 5.063 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccccc1)S(=O)(=O)c1c(C)cc(C)cc1C 1872131494 YZHJWEAOIVGMCN-HSZRJFAPSA-N 442.625 5.232 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccccc1C(C)C)C(C)C)S(=O)(=O)c1ccc(F)cc1 1872439245 UPDKTELPVBLBHU-QHCPKHFHSA-N 446.588 5.179 30 10 IKEE CC(C)c1ccc(O[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 1872759939 CZZMQXJKICVPGR-MHECFPHRSA-N 444.600 6.456 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccccc3C(C)C)n2)cc1 1872765156 IRHZDVWKPWOXHT-CVDCTZTESA-N 446.616 6.920 30 10 IKEE N#C[C@@H](C(=O)COc1cc(Cl)ccc1Cl)c1nc(-c2ccc(Cl)cc2)cs1 1872766634 MPXKZTAYLUCTTB-AWEZNQCLSA-N 437.735 6.026 30 10 IKEE Cc1cc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(Cl)c(Cl)c3)n2)ccc1F 1872772042 IMZUEWTXDMXJID-NKPGBKMFSA-N 431.319 6.454 30 10 IKEE CC(C)c1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccccc3C(C)C)n2)cc1 1872776738 WGDKMIUHSLMYOK-XMSQKQJNSA-N 432.589 6.701 30 10 IKEE CCCCCCCCN=c1nc2c(cnn2-c2ccccc2)c(Nc2cccc(C)c2C)[nH]1 1873478447 YFRFGYHNDKJGLT-UHFFFAOYSA-N 442.611 6.370 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc2cc(OC)ccc2n1 1873500264 MVHMRZLDVKDVBM-AFUMVMLFSA-N 435.528 5.101 30 10 IKEE CCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1/N=C/c1ccccc1C 1874194332 JTNYNIYQIFEWOY-MFKUBSTISA-N 438.597 5.466 30 10 IKEE CCCSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1ccc(CC)cc1 1874206433 BGUWRMJNCNUMND-ZMOGYAJESA-N 449.407 6.111 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1cccc(O)c1 1874230327 DMNMQFKJDMJUSU-FOKLQQMPSA-N 428.945 5.075 30 10 IKEE C=CCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1cc(C)ccc1O 1874233027 YNCVJOCRLDIHCQ-YZSQISJMSA-N 428.561 5.391 30 10 IKEE Cc1cccc(CSc2nnc(CCCOc3cccc(C)c3)n2/N=C/c2ccc[nH]2)c1 1874246379 BIBOQXUWDWYAKT-WPWMEQJKSA-N 445.592 5.409 30 10 IKEE Fc1ccccc1/C=N/n1c(CCc2cccs2)nnc1SCc1ccccc1F 1874371896 XFYBYQXNBBLTHL-AFUMVMLFSA-N 440.544 5.578 30 10 IKEE Fc1ccccc1/C=N/n1c(Cc2cccs2)nnc1SCc1cccc(Cl)c1 1874414079 ASRHNQVZZHVYBK-ZMOGYAJESA-N 442.972 5.897 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2-c2cccs2)cc1 1874422925 LXLKKDPODAHDIO-YDZHTSKRSA-N 440.981 5.843 30 10 IKEE CCc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2cccc3ccccc23)cc1 1874439958 BWIDZKOHLYOKAQ-MTDXEUNCSA-N 442.632 6.757 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@H]3CCCO3)n2/N=C/c2cccc3ccccc23)c1 1874446050 RMAMLNRHXJATGJ-UJBXUPAJSA-N 442.588 6.074 30 10 IKEE O=[N+]([O-])c1cccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CCCC2)c1 1874455647 CJVBPIUWJRXSSS-YDZHTSKRSA-N 441.944 5.672 30 10 IKEE CC(C)(C)c1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1cccs1 1874484574 CJZOXLIFNFLFIJ-UFFVCSGVSA-N 425.410 6.118 30 10 IKEE CC(C)Cc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccccc1[N+](=O)[O-] 1874491941 QHPKBUBKUWUGFD-FOKLQQMPSA-N 447.923 5.352 30 10 IKEE CCOc1c(/C=N/n2c(SCc3ccc(F)cc3)nnc2C2CCC2)cccc1OC 1874494979 NPZDBNGKRPSDBX-AFUMVMLFSA-N 440.544 5.267 30 10 IKEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(C)cc3C)nnc2C2CCC2)cc1 1874499170 ZCLBTDJPANUTJE-AFUMVMLFSA-N 433.581 5.084 30 10 IKEE CCOc1ccc(/C=N/n2c(C)nnc2SCc2cccc3ccccc23)cc1OCC 1874533225 YDDGCBUMGTXZFL-WGOQTCKBSA-N 446.576 5.712 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCc2ccc(C)cc2)cc1 1874577758 DOFAZSWNMUALBY-SDNWHVSQSA-N 436.935 6.531 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCc3cccc(F)c3)ccc3ccccc23)cc1F 1874582393 LVUYMWKFKPEAPO-VAWYXSNFSA-N 430.450 6.602 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCc3cccc(F)c3)ccc3ccccc23)cc1Cl 1874590576 FOWNHMMDQFWIGV-VAWYXSNFSA-N 446.905 7.116 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1C 1874590806 JGQYZOUYWNZFKK-BUHFOSPRSA-N 440.514 7.079 30 10 IKEE C=CCOc1c(OC)ccc(/C=C/C(=O)c2ccc(CCCC)cc2)c1Br 1874593672 VZAMISAYISQOSG-WYMLVPIESA-N 429.354 6.261 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OCc1c(F)cccc1Cl 1874600424 LRFWLYJOVNYLHD-CSKARUKUSA-N 438.926 6.888 30 10 IKEE C[C@H](NC(=O)COc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1)c1ccccc1 1874622259 UXQMWOWMZDLZMY-SRKIZSPNSA-N 441.571 6.136 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OCc1cccc(F)c1 1874622472 FMJKTCFPZWYDAI-FNORWQNLSA-N 440.854 5.692 30 10 IKEE C=C(C)COc1ccc(/C=C/C(=O)c2ccc(OCCCCCCC)cc2)cc1Cl 1874625368 ALRIBRZYHOFKES-OQLLNIDSSA-N 426.984 7.540 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 1874625430 DUDFLMLMFPYFGD-LFYBBSHMSA-N 433.479 5.365 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)c1C 1874629192 QIYKYCDFTDYKTA-CSKARUKUSA-N 439.382 7.702 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OCc1ccc(C)cc1 1874630555 HYPTXSQIBBUKCV-ACCUITESSA-N 430.544 6.494 30 10 IKEE CCCCC1CCC(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c(C)c3)c2)CC1 1874696149 KXKQFXGSEBVKCW-FOWTUZBSSA-N 434.576 6.802 30 10 IKEE O=C(COc1ccccc1)Oc1cccc(/C=C/C(=O)c2cccc(Br)c2)c1 1874697923 QWBHYWMYYPNXRL-OUKQBFOZSA-N 437.289 5.330 30 10 IKEE CCCC(=O)Oc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)c(Br)cc1OC 1874704128 XPQBHGPYBDYPNG-VQHVLOKHSA-N 435.289 5.507 30 10 IKEE CCCCCCCCC(=O)Oc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC 1874707958 FRDNNKKAVYURCT-LDADJPATSA-N 436.592 7.371 30 10 IKEE CCCCCCCCC(=O)NCCCc1nn2c([C@@H](C)c3ccccc3)nnc2s1 1874797621 YPZSHWMQNZTYLE-SFHVURJKSA-N 427.618 5.137 30 10 IKEE O=C(Cc1ccccc1[N+](=O)[O-])Oc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1 1875094667 CXPHWMUXAWFGMP-LFIBNONCSA-N 437.451 5.792 30 10 IKEE CCCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2cccc(OC)c2)cc1OC 1875100704 JKVASQHMDLTWNP-MDZDMXLPSA-N 433.298 5.068 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 1875116963 AYQXCJAXRHSTGS-CAOOACKPSA-N 445.471 5.564 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1 1875120119 CIAJYIPQODTXIT-NTEUORMPSA-N 438.426 5.244 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC(=O)c1ccc(F)cc1 1875124869 GRKYUWGNAMQBMV-QDEBKDIKSA-N 426.390 5.618 30 10 IKEE O=C(Cc1ccc(Cl)c(Cl)c1)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1Cl 1875128370 WRFCGZNKHVCFFJ-JXMROGBWSA-N 445.729 6.691 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc4cc(Cl)ccc4n3)cc2)c(C)c1 1875131734 LKZHJIDXDNKJMM-MKMNVTDBSA-N 441.914 6.620 30 10 IKEE O=C(CSc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1 1875135579 XNTNKCKFKAQECY-MDWZMJQESA-N 443.351 6.587 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)c1cccc(C)c1 1875141112 OPFMKJHWLIFCDR-DHZHZOJOSA-N 434.463 5.575 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)[C@H](C)c2ccccc2)c(Cl)c1 1875143014 FELIEUUCXNDMAP-NCUBBLFSSA-N 434.919 6.262 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc2)c(C)c1C 1875168007 SGAVHPRGHCGCCB-GXDHUFHOSA-N 431.444 5.336 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OCC)cc2OCC)cc1OCC 1875179516 NEZWPFLIKWYRCX-RVDMUPIBSA-N 440.536 5.874 30 10 IKEE Cc1[nH]c2ccc(F)cc2c1CCNC(=O)c1cccc(C(F)(F)F)c1C(F)(F)F 1891787139 CUWMGGCBYPGREI-UHFFFAOYSA-N 432.339 5.626 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](O)c1ccc(Cl)cc1Br 1922067739 DJPFUBNHVCPWRQ-SFTDATJTSA-N 438.793 5.277 30 10 IKEE CCC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1938168501 QXSJFTSIIRDLMM-FUHWJXTLSA-N 437.606 5.318 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@H](C#N)[C@H]1CCCCN1C(=O)OC(C)(C)C 1944737470 YMOWQYGHPDKJCR-RTBURBONSA-N 449.979 5.763 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1[C@](C#N)(N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1)C2 1950075841 SHTKZUMJXQWOTR-HOSQHVHZSA-N 447.963 5.373 30 10 IKEE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCC#N)C(C)C 1985178616 BSZSPJOWPGWRDL-UQBPGWFLSA-N 447.579 5.090 30 10 IKEE CN(CCC[C@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1)C(=O)OC(C)(C)C 2002695296 HJXSGHYMCDTGKI-XMMPIXPASA-N 437.625 5.876 30 10 IKEE CC[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2014642011 BNTRRBXYHPSVNC-FDDCHVKYSA-N 433.524 5.249 30 10 IKEE CN[C@@H](C#C[Si](C)(C)C)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2016752215 KWVRDSKMUIWBKB-VWLOTQADSA-N 429.636 5.986 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@](C)(C#N)CSC(C)(C)C 2028151063 GBGDBZXMDVCYIU-LJQANCHMSA-N 427.408 6.005 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(C)sc(C)c1Br 2028858514 RUPCOQWHYWXRCZ-RHSMWYFYSA-N 429.424 5.085 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c3cccc(F)c3)[C@H]2C1 2032041708 CKOJNUHXZORTPM-UXSWERMXSA-N 445.535 5.106 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@]1(C#N)C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2033857245 WALYSWWRBKNGGO-SUOOXSEHSA-N 437.628 6.036 30 10 IKEE CC[C@@]1(Nc2cccc(Br)c2C#N)CCCN(C(=O)OCc2ccccc2)C1 2043970064 FMBNKEDGLUNZHZ-JOCHJYFZSA-N 442.357 5.314 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@H](C#N)[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2073119202 QNYVGZDFJAVXFU-ICSRJNTNSA-N 449.636 5.874 30 10 IKEE CC1(c2nn(Cc3ccc(F)cc3C(F)(F)F)c(Br)c2C(F)(F)F)CC1 2079827848 XTQUKAKKFCPSHG-UHFFFAOYSA-N 445.176 5.922 30 10 IKEE CC(C)c1nn([C@H](C)c2ccc(C3CCC3)cc2)c(I)c1C=NO 2079936354 LKLVZQCHFCXDJE-CYBMUJFWSA-N 437.325 5.296 30 10 IKEE C=CCCCCCCCCC[C@@H](O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2086283339 UUEXDGXYSBRFTO-LOSJGSFVSA-N 447.660 6.544 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@@]1(C#N)CCN(Cc2ccccc2)CC12CCC2 2098715323 ZRRVIIIYBQIEIQ-HHHXNRCGSA-N 449.570 5.906 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NC)[C@]1(O)CN(Cc2ccccc2)C2(CCCCCC2)C1 2100356463 PVYAPVMWJGLTHS-XRKRLSELSA-N 448.651 5.077 30 10 IKEE C[C@H](NC(=O)OC(C)(C)C)c1cccc(Nc2cc(Br)c(C#N)cc2F)c1 2162322785 KBKMFUYKJCPMBG-LBPRGKRZSA-N 434.309 5.789 30 10 IKEE CCC[C@]1(CNc2cc(Br)cc(C#N)c2)CCCCN1C(=O)OC(C)(C)C 2162411562 XICAYMSTXASQON-OAQYLSRUSA-N 436.394 5.693 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](O)c1c(F)cc(C)cc1Br 2173407315 LYGASADNXKTUFA-YADHBBJMSA-N 436.365 5.071 30 10 IKEE CC(C)N(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1ccc(Br)cc1C#N 2174809990 HAVBHSZRJOONNB-SFHVURJKSA-N 436.394 5.325 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1OCc1cc(Br)ccc1Cl 2197493547 FKMHOKNMUFHGNK-UHFFFAOYSA-N 437.570 5.289 30 10 IKEE CCCC#C[C@@H](NCCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237404797 KQYXOYIBXZSJEA-UXHICEINSA-N 437.422 5.057 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2ccc(C#N)cc2Br)C[C@H]2CCCC[C@H]21 2240972007 JCOAXYAIIWYEEA-JTDSTZFVSA-N 434.378 5.301 30 10 IKEE C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2255640845 MGOHPFQJEDRNJH-QGZVFWFLSA-N 439.792 5.080 30 10 IKEE C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267269552 FTGHAVCMZKQVHT-IBGZPJMESA-N 447.409 5.451 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)c1c(F)c(F)c(Br)c(F)c1F 2267839940 XPMNGZQCECSHSR-MRVPVSSYSA-N 440.231 5.048 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](O)c2cc(Br)cc(C(C)(C)C)c2)C1 2288654914 PMSRGERNEQDNGU-GOSISDBHSA-N 438.406 5.641 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)c4c(OC)cccc4OC)ccc3C2=O)cc1 2296868039 PXNVXVSYDJWJDI-UHFFFAOYSA-N 430.456 5.102 30 10 IKEE COc1ccc(N=CC=C(Nc2ccc(OC)cc2)c2ccc(Cl)c(Cl)c2)cc1 2297535128 PTCCZEJMFFWAMS-UHFFFAOYSA-N 427.331 6.866 30 10 IKEE C=CCN1C(=O)C(=Cc2cccc(OC(=O)c3cccc4ccccc34)c2)SC1=S 2297624976 RRYAYQHTWQLFOS-UHFFFAOYSA-N 431.538 5.446 30 10 IKEE CCN[C@@H](C#C[C@@H](OC)C1CCCC1)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 2303639873 HHELKJOCMKFRHW-BJKOFHAPSA-N 428.617 5.001 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2Br)cc1)c1ccc(Cl)cc1 2314430236 ZHTKCOCQAKXOAD-UHFFFAOYSA-N 441.708 6.218 30 10 IKEE CCCCCCCn1c(CCCCCNC(=O)C=Cc2ccccc2)nc2ccccc21 2314884367 JNKMNHKRGHOZRB-UHFFFAOYSA-N 431.624 6.549 30 10 IKEE CCN[C@@H](C#CC1(OC)CCCCC1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2316388454 SHNIPIVLTIFIFE-XMMPIXPASA-N 442.644 5.535 30 10 IKEE Fc1ccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CC2)c(F)c1 2320889464 BCOOANOTSOMHRK-UHFFFAOYSA-N 439.318 5.915 30 10 IKEE Cn1cc(CCN2COc3ccc4c(c3C2)OC(=Cc2cccs2)C4=O)c2ccccc21 2321911708 JSJNARDJNGNNSV-UHFFFAOYSA-N 442.540 5.251 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCc2ccccc2F)c1 2322371916 TWLQCOFHUOXWEE-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(C(C)C)cc2)c1OCc1ccc(C)cc1 2322736552 WCTVMWMELDBAMG-UHFFFAOYSA-N 434.963 7.256 30 10 IKEE Cc1ccc(C)c(COc2ccc(Cl)cc2C=CC(=O)c2cc(C(C)(C)C)ccc2C)c1 2322959244 WZHSYKWYSAXPPE-UHFFFAOYSA-N 447.018 8.038 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc2c(c1C)OC(=Cc1ccccn1)C2=O 2323177012 HHZRYOQWDVSRKV-UHFFFAOYSA-N 429.472 5.079 30 10 IKEE O=C1C(=Cc2ccc(F)cc2)Oc2cc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])ccc21 2323281276 XIFPEUYPOOJUFU-UHFFFAOYSA-N 439.782 5.223 30 10 IKEE CCOc1ccc(CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2C)C3=O)cc1 2323374866 SPJPVUGAXIZLHR-UHFFFAOYSA-N 428.484 5.466 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc3C2=O)cc1 2323629624 AKDWMJIMDXHAFK-UHFFFAOYSA-N 442.511 6.119 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3CC)cc2)cc1 2323829113 XPMPPMRPAZCYFE-UHFFFAOYSA-N 429.516 5.561 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(Cl)c(OCc2cccc(C)c2)c(OC)c1 2323987238 ILIOMPKMNDDHBQ-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2cccs2)C3=O)c(C)c1 2324331624 VIVBWKAMJGGJTF-QGZVFWFLSA-N 433.529 5.696 30 10 IKEE Cc1cc(C)c(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccco2)C3=O)c(C)c1 2324331809 GSABLUQLYCFBRQ-GOSISDBHSA-N 431.488 5.535 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1 2324372301 MZDIFZWBYRNSGV-IBGZPJMESA-N 441.527 6.141 30 10 IKEE N#C[C@H](C(=O)C=Cc1cccc(Cl)c1)c1nc(-c2cccc(Br)c2)cs1 2324434194 CCFFYLKPYPIOOH-QGZVFWFLSA-N 443.753 6.116 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OCc3cccc(Cl)c3)c([N+](=O)[O-])c2)c(C)c1 2324553514 ZMALBUBSGFMUFW-UHFFFAOYSA-N 435.907 6.649 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2325521894 BFIVIZJYJFGKKY-UHFFFAOYSA-N 445.932 5.062 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(OC)c(OC)c1 2325525920 ULSNHDNTYMZAPN-UHFFFAOYSA-N 444.988 5.466 30 10 IKEE CCc1ccc(CCC(=O)Oc2cc(C=CC(=O)c3ccc(CC)cc3)ccc2OC)cc1 2325704691 PKWWRONUIWQVMT-UHFFFAOYSA-N 442.555 6.254 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(Cl)cc3)c2)cc1C 2325713166 OADZYEKMACQASD-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE CCCC(=O)Oc1cc(C=CC(=O)c2ccccc2OC)c(Br)cc1OC 2325723855 XRNXXJGQFBGHRJ-UHFFFAOYSA-N 433.298 5.068 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1OC(=O)Cc1ccccc1F 2325752899 OVUANQFKYPPRES-UHFFFAOYSA-N 426.390 5.157 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)ccc2OC)cc1OC(=O)c1ccc(C)cc1 2325778467 OZIYRKKAEMVWAB-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccc(Cl)cc1 2326083969 QRIDFCWZRAUMNL-UHFFFAOYSA-N 449.407 5.981 30 10 IKEE CCOc1cc(C=Nn2cnnc2SCc2cccc(C)c2)cc(Cl)c1OCC 2326374764 LYCHXPYOYUBADR-UHFFFAOYSA-N 430.961 5.212 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccco1 2327927466 PINMKIOYRKDRKX-UHFFFAOYSA-N 436.968 5.793 30 10 IKEE COc1ccc(Cc2nnc(SCc3cc(C)ccc3C)n2N=Cc2ccncc2)cc1 2329278032 WROAZRFVDFJTOV-UHFFFAOYSA-N 443.576 5.064 30 10 IKEE C=C(C)CSc1nnc(CCc2cccs2)n1N=Cc1ccc(Br)cc1 2329662014 URPDVZYDNYVJHN-UHFFFAOYSA-N 447.427 5.438 30 10 IKEE COc1ccccc1C=Nn1c(Cc2cccs2)nnc1SCc1cccc(C)c1 2330346439 KQBUQDVWGBHGFU-UHFFFAOYSA-N 434.590 5.422 30 10 IKEE CC(C)(C)C(=O)Oc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-] 2330603481 ZHMVURFNDDUXMC-UHFFFAOYSA-N 429.472 6.109 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccccc3)n2N=Cc2ccc(F)cc2F)c1 2330672940 PBDBFOACMRISQM-UHFFFAOYSA-N 434.515 6.015 30 10 IKEE Cc1cccc(C=Nn2c(CC(C)(C)C)nnc2SCC(=O)Nc2ccccc2C)c1 2330824030 NWYWPFCZXRHGJM-UHFFFAOYSA-N 435.597 5.097 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccncc1 2330874210 SBLHDYKIIDBGLG-UHFFFAOYSA-N 434.396 5.743 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(Br)cc3)cc2)cc1 2330884205 GPSJPNRGIPRNQP-UHFFFAOYSA-N 435.317 6.127 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)CCc1ccccc1 2331042606 QZCYSWKWQFTUQY-UHFFFAOYSA-N 445.471 5.428 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C2CCCC2)cc1 2331051087 NMYCQIQNSDNKBR-UHFFFAOYSA-N 449.580 6.142 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2Cl)cc1 2331142682 SYAMXQJEAWTLHS-UHFFFAOYSA-N 425.311 6.346 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccc(F)cc1 2331251482 VNHDFLORLZTSSC-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)Cc1ccc(F)c(C)c1 2331326341 XHZQWSFXFXSOQX-UHFFFAOYSA-N 446.518 6.194 30 10 IKEE C[C@H](C(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1Cl)c1ccccc1 2331439757 KCHQINOOHLZDPU-INIZCTEOSA-N 434.875 5.674 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2OC)cc1 2331509658 DFOCSECTHFLYHC-UHFFFAOYSA-N 444.527 6.333 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)CC(C)C)c(Cl)c1 2331547948 XKKTXTPMYBFZKQ-UHFFFAOYSA-N 428.956 6.494 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1Cl 2331646807 NGUXZRCRZGUGEY-UHFFFAOYSA-N 426.984 7.346 30 10 IKEE CC(C)C[C@H](CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339541848 SKXRWCMSKVJHKP-LJQANCHMSA-N 445.413 5.078 30 10 IKEE CC1(C)OB(/C=C/c2ccc(NC[C@@H]3CCCCN3Cc3ccccc3)nc2)OC1(C)C 2339578929 OCYFXNHSYIPOFV-TVXVBNPNSA-N 433.405 5.193 30 10 IKEE CCCN[C@@H](C#CC1(SC)CCC1)c1scc(Br)c1Br 2361307972 DISMHLKOHRPDDB-LBPRGKRZSA-N 437.266 5.603 30 10 IKEE CC1(C)OB(c2ccc(COc3c(F)cccc3Cl)cc2Br)OC1(C)C 2377329224 JYPCRHUWJHZYDN-UHFFFAOYSA-N 441.533 5.120 30 10 IKEE CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1 9779440 FQFPHGIEPQTZQF-DWACAAAGSA-N 436.555 6.243 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)nn1[C@@H]2/C=C/c1ccccc1 19636970 GYINBIQYDGIHTQ-QZMUEMGWSA-N 442.588 5.894 30 10 IKEE O=C(CSc1n[nH]c(NN=C(Cc2ccccc2)Cc2ccccc2)n1)c1ccccc1 20908472 TXZLTLUTUYFZBR-UHFFFAOYSA-N 441.560 5.033 30 10 IKEE N#CC1(C#N)[C@H](c2cccc(F)c2)[C@H](C(=O)c2ccc(F)cc2)N2C=Cc3ccccc3[C@@H]21 27271756 ZCQXDEVYYADLAT-DGWZTRNLSA-N 437.449 5.375 30 10 IKEE C=CCN1C(=O)/C(=C\c2cc(Cl)ccc2OCCOc2ccccc2C)SC1=S 33441654 HTRUGMNHSWVHQG-XSFVSMFZSA-N 445.993 5.493 30 10 IKEE O=C(C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1cccs1)c1ccco1 34920789 RTWHZSDDEPTTSF-INIZCTEOSA-N 442.905 5.387 30 10 IKEE Cc1cccc(/N=C2/S/C(=C\c3cccc4ccccc34)C(=O)N2C2CCCCC2)n1 39863681 WXGSXAXNPOVRMF-GBPBPLIESA-N 427.573 6.480 30 10 IKEE O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)S/C(=N/c2cccnc2Cl)N1C1CCCCC1 39864155 URVWFGPZSMARMP-QACXOHACSA-N 442.928 5.580 30 10 IKEE Cc1c(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)oc2c1/C(=N/NC(N)=S)CCC2 40824534 GFDDXCOEBSCDIG-XWIDLWJRSA-N 446.536 5.129 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OCc4ccccc4F)cc(C)c3C2=O)cc1 62942286 WYSOSEOJYIHIQN-MYYYXRDXSA-N 431.507 6.176 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)CNc1cccc(OCCCC)c1 100082719 PAIYOFDURVDYHK-UHFFFAOYSA-N 446.720 7.875 30 10 IKEE CCCCCCCOc1ccc(NC(=O)CNc2cccc(C(=O)N[C@@H](C)CC)c2)cc1 100099558 WGTUKPQAWNJTRM-FQEVSTJZSA-N 439.600 5.615 30 10 IKEE CCCCCCCOc1ccc(NC(=S)NC(=O)c2ccc(OCCC)cc2)cc1 100155636 IQTLZFMVUUULQF-UHFFFAOYSA-N 428.598 5.951 30 10 IKEE CCCCCCCCCCn1c(CCCCCNC(=O)[C@H]2CCCO2)nc2ccccc21 102179310 ZPFQJVYBJIGGQF-RUZDIDTESA-N 441.660 6.185 30 10 IKEE CCCCCCCCC(=O)Nc1ccc(-c2csc(Nc3ccccc3OC)n2)cc1 102996700 LBJNJBMORMXMNN-UHFFFAOYSA-N 437.609 7.251 30 10 IKEE C=CCn1c(CNc2ccccc2)nnc1SCCC(=O)Nc1cccc(NC(=C)C)c1 105158551 ZHDJWWRQDRSQSI-UHFFFAOYSA-N 448.596 5.143 30 10 IKEE CC(C)c1ccc(/C=C2/Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc3C2=O)cc1 110520741 QOXKTOFALVUXDZ-WGOQTCKBSA-N 440.539 6.943 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccc2OC)c1 169939949 XNDBFVQREJCTNU-HSZRJFAPSA-N 447.462 5.016 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccc(O)cc1 169961393 OZFREAPSJDZURL-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccc(O)cc2)cc1 169962908 UNUYLNANNZHZOA-XMMPIXPASA-N 427.500 5.354 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccs2)cc1 169982953 HNUCZVGOASLNOV-QHCPKHFHSA-N 443.524 6.401 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccc(F)cc2)s1 170062645 IFRYHVKIVMZWDP-HXUWFJFHSA-N 436.508 5.299 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(C4CCCCC4)[C@H]3c3ccc(O)cc3)oc12 170135761 DLOHEDCGUFKMJA-QFIPXVFZSA-N 447.487 5.058 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc(OCC(C)C)c3)=C(O)C(=O)N2C2CCCCC2)c1 170145270 LBKHJGIRMADMPQ-RUZDIDTESA-N 447.575 5.941 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2C2CCCCC2)c1 170145469 HHNSNWHCAINTAO-VWLOTQADSA-N 445.603 6.512 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1ccc(C(C)(C)C)cc1 170149750 SLLAGPQEOBHXDX-XMMPIXPASA-N 449.591 6.150 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2OC)[C@@H]1c1ccccc1OC(C)C 170150928 FFLIRFGWAPAWBN-QHCPKHFHSA-N 437.536 5.169 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2cccs2)cc1 170158856 HLIXOMRFXZGDME-HSZRJFAPSA-N 447.556 5.937 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@@H]1c1cccs1 170160804 CFECSKVDOVUXIM-JOCHJYFZSA-N 433.529 5.465 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@H]1c1cccc2ccccc12 170221074 LPYUGECZTGWWRV-JOCHJYFZSA-N 435.907 5.490 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccc1 170227448 NUWDJBYIEQCDIR-VWLOTQADSA-N 435.479 5.631 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@@H]1c1ccc(F)cc1 170243413 AMTAUMDRGPJZTJ-QFIPXVFZSA-N 425.500 5.254 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccccc1F)c1ccc2ccccc2c1 170251184 GQYTVIUPDKPAGL-XMMPIXPASA-N 438.458 5.152 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(CC)cc2)c1 170266517 KTUQUKLFHQIZFE-XMMPIXPASA-N 433.548 5.559 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1ccccc1C 170271569 SLJGNWSDUAAHCT-XMMPIXPASA-N 443.499 5.104 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1ccco1 170283157 PHBGPZSUEKHMCU-FQEVSTJZSA-N 437.879 5.341 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccc(C)o2)cc1 170303509 MAGDSVCSLJIZAE-OAQYLSRUSA-N 437.879 5.423 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1sccc1C 170315356 JRJHKHMWYZOPIU-FQEVSTJZSA-N 437.492 5.296 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)c1 170344367 SARTXVGQDSZWKV-OAQYLSRUSA-N 437.417 5.797 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1c1cccc(C(F)(F)F)c1 170399168 VDSSNQMBBBTBMP-IBGZPJMESA-N 443.446 5.858 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(Cl)cc2)cc1 170421588 XOVCLXIWYZCDPT-FQEVSTJZSA-N 439.920 5.189 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(OCC(C)C)cc2)cc1 170427924 GVCJNPOSIYZGNE-HSZRJFAPSA-N 447.487 5.106 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2cccc(Cl)c2)cc1 170453865 UERIFLCGXOUMNQ-NRFANRHFSA-N 426.944 5.311 30 10 IKEE C=C(Cl)COc1ccc(CN(Cc2cccnc2)C(=O)/C=C\c2cccc(F)c2)cc1 209481458 CPUSWMHVHOVEAO-XFXZXTDPSA-N 436.914 5.594 30 10 IKEE O=[N+]([O-])c1ccccc1-c1ccc(C=Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)o1 252591408 BBGRMMLGMSPOBT-UHFFFAOYSA-N 443.846 7.067 30 10 IKEE CCOc1ccc(NN=C(Sc2nnc(-c3ccccc3)o2)C(=O)c2ccccc2)cc1 254571506 AXRHLLGDYACKPE-UHFFFAOYSA-N 444.516 5.536 30 10 IKEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1ccc(Cl)cc1Br 698378468 VXWATMJLIXUQHQ-QGZVFWFLSA-N 444.801 5.246 30 10 IKEE Cc1cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)cc(C)c1O 698443054 HNFJTFIUNQBVDS-SFHVURJKSA-N 431.330 5.778 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 698468148 GYGNSWQOZDEAJL-KOSHJBKYSA-N 429.561 5.276 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@H](C#N)c1cc(F)cc(Br)c1 698830457 VXZYHTROCXNMKW-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@H](C#N)CN(C(=O)OC(C)(C)C)C(C)(C)C 698908023 FYDXFEVIQGFMSA-IBGZPJMESA-N 437.625 5.874 30 10 IKEE C=CCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@@H]1[C@H]1CCCCN1C(=O)OC(C)(C)C 710726849 SFMNOUXCLWPYHN-IECBHUPTSA-N 433.593 5.262 30 10 IKEE CC(=NNc1nc(SCCC(=O)Nc2cccc3ccccc23)n[nH]1)c1ccc(F)cc1 1084610533 VSJBHHHXPPJOJT-UHFFFAOYSA-N 448.527 5.054 30 10 IKEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2Nc2cnn([C@@H]3CC3(F)F)c2)cc1 1286796592 NTKXDIUENBVHPT-LJQANCHMSA-N 442.514 5.000 30 10 IKEE O=C1/C(=C/C=C/c2ccccc2)S/C(=N\N=C/c2ccc(F)cc2)N1Cc1ccco1 1554646198 QAVUPNUAQBBVTH-GZICONIUSA-N 431.492 5.482 30 10 IKEE CC(C)n1c(O)nc2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)cc21 1632262073 AYEXMTYRBSIYFD-UHFFFAOYSA-N 444.466 5.165 30 10 IKEE Nc1ccc(-c2c(F)c(F)c(F)c(F)c2F)nc1-c1c(F)c(F)c(F)c(F)c1F 1848358321 QEZCZXPLRCJMOG-UHFFFAOYSA-N 426.213 5.389 30 10 IKEE N#CCc1ccc(-c2cccc(OC(F)(F)F)c2)nc1-c1cccc(OC(F)(F)F)c1 1848361976 VHUVCEYNNKOGPW-UHFFFAOYSA-N 438.327 6.279 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccc2O[C@H](C)C(=O)OCCCC)c1 1858731453 CULFRGOKYWUDLS-GOSISDBHSA-N 439.556 5.282 30 10 IKEE CCOc1ccc2cc(C(=O)Nc3oc(-c4ccccc4)c(-c4ccccc4)c3C#N)oc2c1 1859743969 NOTZGXPRWZOYAK-UHFFFAOYSA-N 448.478 6.882 30 10 IKEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)[C@H](C)Oc1ccccc1C(C)C 1861648002 ZASKBSPDJXHOFK-NRFANRHFSA-N 432.649 5.729 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(OC)c(F)c2)n(-c2ccc(Cl)cc2)n1 1862368250 JOKCQKACMBHQEH-UHFFFAOYSA-N 425.891 5.155 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2cccc(OCC)c2)cc1 1862392831 HHHUTJCEOVAKCH-KOSHJBKYSA-N 435.564 5.805 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1cccc(C)c1 1862400356 BTDQGRNUYSXBIY-RDGATRHJSA-N 449.591 6.249 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccccc2)c1 1862447971 ZULGYXDNYFOSEW-QHCPKHFHSA-N 447.918 5.517 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccccc2F)c1 1862507392 KFNIKEAXOVPBCC-HSZRJFAPSA-N 433.454 5.360 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C)cc2)cc1 1862513824 AAVCXISJZGCTHF-HSZRJFAPSA-N 431.488 5.155 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C2CCCCC2)cc1 1862580800 RZTMVQSTYLMWHU-NRFANRHFSA-N 444.358 6.213 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C(C)C)cc1 1862583132 UEAYLEJQZRMEDF-IBGZPJMESA-N 434.319 5.379 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc2cc[nH]c2c1 1862594881 IPJJFOCGYVOPHO-GYCJOSAFSA-N 438.483 5.213 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccccc2F)cc1 1862614382 AGSZXLZLOKCGBF-QHCPKHFHSA-N 444.506 5.297 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc2c(c1)CCCN2C 1862622507 FJYKKQIRZKYQLF-XMMPIXPASA-N 446.591 5.355 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc(O)c1 1862713649 SNIUUTYGJKMGJC-WXTAPIANSA-N 449.506 5.885 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862717375 BLDDYOUXVRWRNE-QRQCRPRQSA-N 430.460 5.125 30 10 IKEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@H]2c2ccc(F)cc2)cc1 1862731945 BAYAHJYMXHDSEB-QHCPKHFHSA-N 439.527 5.773 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1c(Cl)cccc1Cl 1862760569 RDAQIDYHRNSIOW-VOJFVSQTSA-N 449.290 5.278 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3cccc4ccccc34)C2=O)cc1C 1862842344 ISZNFJCCWURKCR-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE Cc1ccc(NC2=C(c3c[nH]c4ccccc34)C(=O)N(c3ccc(C#N)cc3)C2=O)c(C)c1 1863129173 AAJWLCXDQWKRRI-UHFFFAOYSA-N 432.483 5.053 30 10 IKEE N#Cc1cccc(NC2=C(c3ccc(Cl)c(Cl)c3)C(=O)N(Cc3ccccc3)C2=O)c1 1863283901 BEWQZRPNNVZUCR-UHFFFAOYSA-N 448.309 5.257 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2F)C(=O)N(Cc2cccnc2)C1=O 1863639420 YGOIDALIEKHYTL-UHFFFAOYSA-N 437.559 5.231 30 10 IKEE CCCCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2C)[C@@H]1c1sccc1C 1864496080 STUUBAXIIFLMIR-IBGZPJMESA-N 444.645 5.050 30 10 IKEE CC[C@@](C)(NC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866989921 GJGBBXFMYDPYNA-NFBKMPQASA-N 446.378 5.528 30 10 IKEE CCCN(CCCN(C)C)c1cc(Nc2ccccc2C#N)nc(-c2ccccc2C)n1 1868307908 YWEMTCUDMILEEM-UHFFFAOYSA-N 428.584 5.235 30 10 IKEE C=CCN(CC=C)c1cc(N2C[C@H](C)OCC2(C)C)nc(-c2ccc(C(C)(C)C)cc2)n1 1869341357 HPAAEOLPFFKZAB-FQEVSTJZSA-N 434.628 5.623 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)Nc2cc(Cl)ccc2C)c(=O)cc1C 1870085596 VIEWGCLSHKYTFL-UHFFFAOYSA-N 447.019 6.277 30 10 IKEE C=CCn1cc(OCc2ccccc2F)c(=O)cc1CSCc1nc2ccccc2[nH]1 1870231928 UAZRRYMTRYNDAS-UHFFFAOYSA-N 435.524 5.062 30 10 IKEE C=CCOc1cn(CCc2ccc(F)cc2)c(CNc2cccc(C(C)(C)C)c2)cc1=O 1870809773 VDVVDNKEPDTJRF-UHFFFAOYSA-N 434.555 5.705 30 10 IKEE C#CCOc1cn(CCC(C)C)c(CNc2cccc(OCc3ccccc3)c2)cc1=O 1871009407 UOQQXVZBKDSYME-UHFFFAOYSA-N 430.548 5.098 30 10 IKEE CC(C)CCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(Br)cc1)C3=O 1871352873 GDPAFSSSGFRNBD-JAIQZWGSSA-N 428.326 5.263 30 10 IKEE CCOc1ccc(OCC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871366282 CAMNYGGHWPYVND-QRVIBDJDSA-N 448.446 5.133 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OC(=O)CCCOc3ccccc3)cc(C)c2C1=O 1871370842 BXFUDXXIQZXLAJ-JLPGSUDCSA-N 428.484 5.684 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O 1871385687 HKFAXQGZWIEWMM-UUYOSTAYSA-N 439.294 6.148 30 10 IKEE Cc1ccccc1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 1871410385 ZNZDUWICEVYONZ-ICODJCHTSA-N 431.463 5.465 30 10 IKEE COc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O 1871412447 RVDSHGNXHDVOLP-KSJDGYIASA-N 449.890 5.371 30 10 IKEE C=CCN(CC=C)c1nc(=NCCCCCCCC)[nH]c(=Nc2cccc(Cl)c2C)[nH]1 1871491319 AOKDYWSIVPCTHU-UHFFFAOYSA-N 443.039 5.372 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(N(CC)CC)cc2C)[nH]c(N(C)C)n1 1871710714 JFXMNPZIADQVNL-UHFFFAOYSA-N 427.641 5.030 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(C(C)C)cc1)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1871852525 UKPIVLYGEVXGFJ-YKSBVNFPSA-N 442.625 5.349 30 10 IKEE C=CCN([C@H](C(=O)Nc1cccc(Cl)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872246558 JDUAYJSYGYGCJJ-AOMKIAJQSA-N 449.016 5.187 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)S(=O)(=O)CC 1872332585 JQEJLLTXDOLFNS-QHCPKHFHSA-N 436.662 5.659 30 10 IKEE N#C[C@@H](C(=O)c1ccccc1C(=O)c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 1872766186 DRMBXVZIKDLBQI-NRFANRHFSA-N 442.927 6.185 30 10 IKEE CCc1cccc(CC)c1N1C[C@@H](C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)CC1=O 1872768089 JBQTZIVGJLVOQB-SFTDATJTSA-N 443.572 5.164 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H]2CCCC[C@@H]2C)=C(c2cc(F)cc(F)c2)C1=O 1873113880 FXIKXNKSRKPUHG-UWJYYQICSA-N 432.555 5.574 30 10 IKEE C=CCn1c(C(=O)NCc2cccc(C)c2)cc2c(N(CCCC)CCCC)ncnc21 1873594148 MRHWCNKXOPVKSM-UHFFFAOYSA-N 433.600 5.262 30 10 IKEE C(=N/n1c(CCc2cccc3ccccc23)nnc1SCc1ccccc1)\c1ccc[nH]1 1874231880 GSPUEFPLZPPISM-MTDXEUNCSA-N 437.572 5.719 30 10 IKEE Cc1cccc(CSc2nnc(COc3cc(F)ccc3F)n2/N=C/c2ccco2)c1 1874260365 WFWIAZXDLGZBDB-BRJLIKDPSA-N 440.475 5.211 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3C)n2/N=C/c2ccncc2)c(C)c1 1874325625 YWHQZSWLMXVNOG-JFLMPSFJSA-N 443.576 5.352 30 10 IKEE CSc1nnc(CCOc2ccccc2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874345814 IFLQOKNSRBSATQ-NLRVBDNBSA-N 444.560 5.083 30 10 IKEE Cc1cccc(CSc2nnc(COCc3ccccc3)n2/N=C/c2ccc(O)cc2)c1 1874353192 WRRMACPXYLADAT-CVKSISIWSA-N 444.560 5.183 30 10 IKEE CN(C)c1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccccc2)cc1 1874403069 RXFSSVOUJLSSNT-ZXVVBBHZSA-N 441.604 5.304 30 10 IKEE CCCCOc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCC)cc1OCC 1874412489 GFBQGXSQASDNIX-XQNSMLJCSA-N 444.626 5.502 30 10 IKEE C=CCSc1nnc(-c2cccs2)n1/N=C/c1ccc(OCc2ccc(C)cc2)cc1 1874423856 IWSMCWWCOPDAAF-PCLIKHOPSA-N 446.601 6.054 30 10 IKEE FC(F)(F)c1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1cccnc1 1874463041 QHJUJNHVOFYKKV-LIMNOBDPSA-N 432.258 5.173 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1cc(C)ccc1O 1874479982 CAUWSMAZWIIYLX-WYMPLXKRSA-N 449.407 6.116 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1ccccc1C 1874483348 QYAUDUFWWRVZIS-MFKUBSTISA-N 435.597 5.059 30 10 IKEE COc1cc(/C=N/n2c(SCCc3ccccc3)nnc2C(C)(C)C)cc(Cl)c1O 1874484156 IDRNYCGWDWOYEY-ZVHZXABRSA-N 444.988 5.160 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2ccccc2Cl)nnc1C(C)(C)C 1874484267 NKNBLJKYGSZAMS-MFKUBSTISA-N 443.016 6.192 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CCC2)cc1 1874497556 PCJSEYMZWHTDMD-MFKUBSTISA-N 441.000 6.162 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1sccc1C 1874511325 UBIHYQDCIOADBN-UFFVCSGVSA-N 425.410 6.082 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCC(=O)N[C@@H](C)c3ccccc3)nnc2C(C)C)cc1 1874517521 YCDXEHTXJASYHF-CRXVIZHGSA-N 449.624 5.377 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2ccc(C(C)C)cc2)cc1 1874518556 ZFJDLSWIXQEIOV-AFUMVMLFSA-N 433.581 5.200 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C)n2/N=C/c2ccc(Cl)cc2Cl)cc1C 1874528690 WRTZFUYOSRRNAM-AUEPDCJTSA-N 448.379 5.123 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c1OCC(=O)Nc1ccccc1 1874571739 DCWMTDPTPHHJJJ-WUKNDPDISA-N 441.527 5.488 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccccc2Cl)c1OCC(=O)Nc1ccc(C)c(C)c1 1874574812 HIXDWLWRFJUFDM-WYMLVPIESA-N 449.934 5.879 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCC(=O)OCC(C)C)cc1 1874578171 ZQZXLHWXIKJEIH-DHZHZOJOSA-N 446.927 5.221 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(C)c(C)c2)c1 1874588183 VJBIRPMWMXPLES-PKNBQFBNSA-N 447.962 6.487 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccccc2OCc2cc(C)ccc2C)c(OCC)c1 1874589601 UMRTYWPKICKSJB-DTQAZKPQSA-N 430.544 6.576 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OC)c(OC)c1Br 1874600552 RSOAGHLOCSRMMP-FNORWQNLSA-N 425.706 5.333 30 10 IKEE Cc1ccc(COc2ccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)cc2[N+](=O)[O-])cc1 1874603870 JDUQCFZZXOLNGG-GXDHUFHOSA-N 427.500 6.257 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1 1874606555 UTJJMTDDQZEHEW-XMHGGMMESA-N 427.544 5.621 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1F 1874611379 GNHFSUDGFSFPSF-WEVVVXLNSA-N 429.806 6.002 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(F)c3)c([N+](=O)[O-])c2)cc1F 1874621276 CLMIHMIRPJGODL-VMPITWQZSA-N 425.387 5.357 30 10 IKEE CCCOc1c(Cl)cc(/C=C/C(=O)c2ccc(OCC)cc2OCC)cc1OCC 1874632106 LUNLKWXEVXGABD-FMIVXFBMSA-N 432.944 6.221 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc1OC(=O)CC(C)(C)C 1874714746 LSBCAAKHHTXWIZ-VQHVLOKHSA-N 430.928 5.903 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1 1875085053 MXFYLCCPZZEDPT-NTCAYCPXSA-N 431.444 5.038 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1OCC 1875099403 GUNIWAUXWNAYKH-SDNWHVSQSA-N 440.536 5.874 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)C(c3ccccc3)c3ccccc3)cc2)cc1 1875103707 LVIZHTGCAAKUTF-OQKWZONESA-N 446.546 6.883 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3ccccc3C)cc2)cc1C 1875107604 YYDISYNBQXHHAT-FOWTUZBSSA-N 444.527 5.973 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(C(C)(C)C)cc2)c(Cl)c1 1875118561 CRLQLRYQUYXBQP-OQLLNIDSSA-N 448.946 6.761 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)CCc1ccc(Cl)cc1 1875140076 ORAPLONDAJEEKV-MDWZMJQESA-N 448.946 6.400 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3cccc4ccccc34)cc2)c(C)c1 1875154037 KYCFWBIMKSTYQI-DTQAZKPQSA-N 436.507 6.337 30 10 IKEE O=C(Cc1ccccc1)Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1Cl 1875154195 SXJILXPLCHHSQK-FYWRMAATSA-N 426.899 6.537 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 1875156039 ZDHUMPHGWSAUMH-WLRTZDKTSA-N 447.462 5.902 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)Cc1ccc(C)c(C)c1 1875157637 HTWAXVSIYYYTGY-KPKJPENVSA-N 448.490 5.504 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccncc3)c([N+](=O)[O-])c2)c1C 1875169272 MZQOOZQKSIJURK-FNORWQNLSA-N 430.460 5.339 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(F)c3)cc2)c(OCC)c1 1875177561 CBMVJQHGKHSJLO-XNTDXEJSSA-N 434.463 5.738 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc(OC)c1OC(=O)C(C)C 1875191254 YDFNFZISEXFODV-JXMROGBWSA-N 433.331 6.188 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)c(C)c1 1876846066 MXGBRPJHFSCMLC-RTBURBONSA-N 425.411 5.658 30 10 IKEE CCOc1ccc(F)cc1NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1891042280 UQUGAMUFLFBDDF-UHFFFAOYSA-N 431.329 5.063 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@]12CCCC[C@@H]1N(C(=O)OC(C)(C)C)CC2 1905753313 KXBSCOJIBZAUOL-JCYRPKCISA-N 428.617 5.307 30 10 IKEE CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)[C@H]4C[C@](C)(C(C(=O)O)=CC4=O)[C@H]3CC[C@@]21C 1933242739 CPOBSJFACVUGSW-WCPCAAMRSA-N 428.613 5.697 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@H]2CCCCN2C(=O)OC(C)(C)C)cc1 1944735900 IIPPSPLHGMUWNA-UXHICEINSA-N 429.561 5.418 30 10 IKEE O=C(C=CNc1ccc(OC(F)(F)F)cc1)c1ccccc1OCc1ccc(Cl)cc1 2040744399 QBPTZZLYUQPGPC-UHFFFAOYSA-N 447.840 6.626 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC1(C2)CC(C#N)(N(CC2CC2)C(=O)OC(C)(C)C)C1 2065407691 FZYMYEJLDGUYEU-OALUTQOASA-N 445.604 5.238 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@H]2CN(C(=O)OC(C)(C)C)C(C)(C)C2)cc1 2073118796 NUUNBEDYUQEKRY-QUCCMNQESA-N 443.588 5.664 30 10 IKEE Cc1ccc([C@H](C2CCC2)n2nc(C3(C)CC3)c(C#N)c2I)c(F)c1 2079090990 VIRZBFIUFMPYJK-KRWDZBQOSA-N 449.311 5.248 30 10 IKEE CC(C)[C@@H](c1ccc(C(F)(F)F)cc1)n1nc(C2(C)CC2)c(C#N)c1Br 2079884003 GOLOGRMRQJXJCO-HNNXBMFYSA-N 426.280 5.833 30 10 IKEE Cc1cc(O)c([C@@H](n2nc(C(C)(C)C)c(C=NO)c2Br)C2(C)CC2)cc1C 2080021973 CXEWNDWNVMLVKD-GOSISDBHSA-N 434.378 5.463 30 10 IKEE C[C@H](c1ccc(C2CCC2)cc1)n1nc(C(F)F)c(C=NO)c1I 2080026725 YPTDIOYZQOGXRL-SNVBAGLBSA-N 445.251 5.110 30 10 IKEE Cc1cc(Br)cc(Cn2nc(C3CCCCC3)c(C#N)c2Br)c1 2080300875 WLZNFNSCEJMZIV-UHFFFAOYSA-N 437.179 5.684 30 10 IKEE C=CCCCCCCCCC[C@@H](O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2086281836 AQXHXHKHSVIJRO-RUZDIDTESA-N 446.676 6.071 30 10 IKEE Cc1cccc(N[C@H](C#N)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)c1 2134725550 KXLTZBRXKMUNQT-HHHXNRCGSA-N 434.539 6.830 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Cl)cc(Br)c1 2136661622 SZVBJPVIMZCJBE-ZWKOTPCHSA-N 443.813 5.450 30 10 IKEE CO[C@@H]1CC(C)(C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2162035655 BWSBEBJJYVDFOF-DYESRHJHSA-N 437.378 5.678 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CC(Nc1cc(Br)cc(F)c1C#N)C2 2163690350 SBQUOHWLHRPOJW-GJZGRUSLSA-N 438.341 5.192 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)cc(C)cc1Br 2173464668 XBUJXLVYTZVAMM-IEBWSBKVSA-N 441.385 5.244 30 10 IKEE C[C@@](C#N)(c1ccccc1)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2191345674 FKBSKWOLTPRWEN-LOYHVIPDSA-N 449.550 6.359 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](Cc2cc(Br)ccc2F)NCCC)C1 2197754438 GKZJTAOKKRZTQU-SFHVURJKSA-N 441.385 5.112 30 10 IKEE C=C(CC)C[C@H](NCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229129470 GUBMDZWFEDFBHJ-OALUTQOASA-N 425.411 5.219 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](O)c1sc(C)c(C)c1Br 2229250159 HJPYRJIKACWCBC-WOJBJXKFSA-N 438.431 5.302 30 10 IKEE Cc1ccc(Oc2ncccc2B2OC(C)(C)C(C)(C)O2)c(C)c1NC(=O)OC(C)(C)C 2232303303 FNUOXMNVGHUXTF-UHFFFAOYSA-N 440.349 5.137 30 10 IKEE CCc1ccc(C#C[C@@H](O)c2ccc(NC(=O)OC(C)(C)C)c(Br)c2)cc1 2239668693 IZYVFVFPDXTMNT-HXUWFJFHSA-N 430.342 5.444 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1sc(Br)c(C)c1C 2254670179 DOKXTAPLWPFKGV-LSDHHAIUSA-N 429.424 5.085 30 10 IKEE COc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)C#Cc1cccc(Br)c1 2296232113 KQINEKONXAHEJD-UHFFFAOYSA-N 430.298 5.039 30 10 IKEE O=C(Oc1ccc(Cl)cc1C(=O)C=Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 2296761448 GAOLPZLKIQWAIE-UHFFFAOYSA-N 425.799 5.503 30 10 IKEE C=CCC(CC=C)[C@@H](NC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2301067110 WREOGKANSYEJFS-ZEQKJWHPSA-N 428.617 5.187 30 10 IKEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CCC(F)(F)C[C@@H]1OCc1ccccc1 2305322841 PFWYJRRQGLNHQN-WIOPSUGQSA-N 429.507 5.293 30 10 IKEE Cc1cc(C=C2SC(=Nc3ccccc3)NC2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 2313511446 UOEIEJCLHRAKSE-UHFFFAOYSA-N 442.371 6.293 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(OCc2ccccc2)cc1 2314464469 IDDMJFKUZHSWNC-RPBOFIJWSA-N 438.612 6.166 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@]1(C)CCCCN1C(=O)OC(C)(C)C 2318947638 WPSLHJBMRAGHFO-NLFFAJNJSA-N 443.588 5.808 30 10 IKEE CCCCCOc1c(Br)cc(C=Nn2cnnc2SCCC)cc1OC 2321303546 BADLQNDYOHDDQH-UHFFFAOYSA-N 441.395 5.003 30 10 IKEE Cc1ccc(Cc2nnc(S)n2N=Cc2ccc(OCc3ccc(F)cc3)cc2)cc1C 2321998505 IGUWFPSLPVBXAY-UHFFFAOYSA-N 446.551 5.375 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1cccc(Cl)c1)O3)CN(Cc1ccccc1F)CO2 2322056745 AONYZMMFDMYKGW-UHFFFAOYSA-N 435.882 5.756 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(F)cc1)O3)CN(CCCCc1ccccc1)CO2 2322252153 WJJMACVETZZRIQ-UHFFFAOYSA-N 443.518 5.925 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2c(C)cccc2C)cc1 2322391305 PABCLJNUYYZUOG-UHFFFAOYSA-N 441.571 6.560 30 10 IKEE CCCCOCCCN1COc2c(cc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)C1 2322391368 DGPGCSPHNYBQLH-UHFFFAOYSA-N 425.500 5.109 30 10 IKEE CCCNC(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccc(C(C)(C)C)cc1 2322684162 AWYUYGGFNXZURY-UHFFFAOYSA-N 429.560 5.938 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccccc1OCC(=O)Nc1cccc(C)c1C 2322845645 TWPSZKHHYOVWFV-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OC(=O)C(Cl)(Cl)Cl)cc(C)c2C1=O 2323038918 OSBUDEHCSHIPQP-UHFFFAOYSA-N 441.694 5.286 30 10 IKEE Cc1cc(OC(=O)C(c2ccccc2)c2ccccc2)cc2c1C(=O)C(=Cc1cccnc1)O2 2323208214 PQRXARZDBDTBNB-UHFFFAOYSA-N 447.490 5.744 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OC(=O)c4cccc([N+](=O)[O-])c4C)c3C)C2=O)c1 2323270492 KRLWTCVQYCNJFD-UHFFFAOYSA-N 429.428 5.355 30 10 IKEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1cc(C)ccc1C 2323370676 CTAQXBVPPFNFAG-UHFFFAOYSA-N 447.487 5.704 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Br)cc2)ccc1OCc1ccccc1C 2323601925 KAKLGCLURYSCOM-UHFFFAOYSA-N 437.333 6.241 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1ccccc1Cl 2323603803 LLUSAGWJSOLBBM-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O)c1ccc(-n2cccc2)cc1 2323675488 RQFSPPFJGXUKOX-UHFFFAOYSA-N 425.415 5.452 30 10 IKEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2[N+](=O)[O-])o1 2323858347 KQYCGXKZYZRSJR-UHFFFAOYSA-N 435.432 5.066 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(CN4CCC[C@@H](C)C4)c(O)cc(C)c3C2=O)cc1 2324067960 YXHAAOVANGZKCR-GOSISDBHSA-N 434.580 5.395 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1cc(C)ccc1C 2324077630 TTXAAUFSGMVMQO-UHFFFAOYSA-N 428.572 7.085 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3nccs3)c(Cl)c2)cc1C 2324447201 KOEKYZGZIMTSTQ-UHFFFAOYSA-N 426.925 5.327 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OCc2ccccc2F)c(Cl)c1 2324574028 CFJFBOHNDNVFGP-UHFFFAOYSA-N 436.954 7.560 30 10 IKEE CCOC(COc1ccc2c(c1)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O)OCC 2324741433 QUXKZFJTYAYMFW-UHFFFAOYSA-N 430.500 5.748 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2cccs2)C3=O)cc1 2325614067 CXLVDRVRTCBADW-INIZCTEOSA-N 433.529 5.895 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2)c1 2325706671 AXSAUQHNDZKZFU-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(Cl)cc4C)cc(C)c3C2=O)o1 2325716881 YMZWTTCNAABJOH-UHFFFAOYSA-N 437.879 5.492 30 10 IKEE COc1ccccc1CCC(=O)Oc1cc(C=CC(=O)c2ccccc2OC)ccc1OC 2325723300 VNHOKYADGVDTIK-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE CCCOc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3cccc(Cl)c3)c2)cc1 2325728246 YKBNELDPWRZBNU-UHFFFAOYSA-N 434.919 6.173 30 10 IKEE COc1ccc(OCCCC(=O)Oc2cccc(C=CC(=O)c3ccc(F)c(C)c3)c2)cc1 2325741976 RPBJMWSOBZNADD-UHFFFAOYSA-N 448.490 5.803 30 10 IKEE Cc1cc(CC(=O)Oc2cccc(C=CC(=O)c3cc(Cl)ccc3Cl)c2)ccc1F 2325773594 JYJMYWSSGIHKNN-UHFFFAOYSA-N 443.301 6.485 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccc(Cl)cc3)n2N=Cc2ccccc2)c1 2328036894 IEWQNJJDXFWDOV-UHFFFAOYSA-N 447.007 6.200 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccncc2)cc1C 2328776753 LXOCPKZJZOWFQI-UHFFFAOYSA-N 447.539 5.183 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2ccc(O)cc2)cc1C 2329395302 BKUOWSZMILROSH-UHFFFAOYSA-N 442.588 5.674 30 10 IKEE Cc1cccc(C=Nn2c(CCc3ccccc3C)nnc2SCc2ccccc2F)c1 2329486854 INNCGGFNGPAQDS-UHFFFAOYSA-N 444.579 5.994 30 10 IKEE C=C(C)CSc1nnc(Cc2ccccc2F)n1N=Cc1cccc(Br)c1 2329741229 IUHFVVKFFKYWCB-UHFFFAOYSA-N 445.361 5.321 30 10 IKEE Cc1cccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCc2ccc(F)cc2)c1 2329808145 HAGKJVSGDQGUAL-UHFFFAOYSA-N 434.515 5.630 30 10 IKEE COc1cc(C=Nn2c(SCc3ccccc3)nnc2[C@H](C)c2ccccc2)ccc1O 2330104881 IDDXBQKVKCRAKM-GOSISDBHSA-N 444.560 5.319 30 10 IKEE Clc1cccc(C=Nn2c(CCc3ccccc3)nnc2SCCc2ccccc2)c1 2330200030 PGODZJUDQGOYIY-UHFFFAOYSA-N 447.007 5.934 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3ccccn3)c(OC)c2)cc1 2330824367 SLXJXNSCHQPBDI-UHFFFAOYSA-N 449.934 6.202 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(CCCC)cc2)cc1Br 2330833421 NRDBJEHHFUNYJC-UHFFFAOYSA-N 443.381 6.783 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)(C)C)n2N=Cc2c(F)cccc2Cl)c1 2330846608 UXNHWDNNZTXOTH-UHFFFAOYSA-N 445.007 6.451 30 10 IKEE Cn1cccc1C=Nn1c(CC(C)(C)C)nnc1SCc1ccc(Cl)cc1Cl 2330874248 ATYRZPJVZCIXFM-UHFFFAOYSA-N 436.412 5.687 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2[C@@H]2CCCO2)cc1 2330938935 WSYZCTZXKFGMGO-NRFANRHFSA-N 438.572 5.741 30 10 IKEE Brc1cccc(C=Nn2c(SCc3ccccc3)nnc2[C@H]2CCCO2)c1 2330955050 SXIQEAOYDAZQRA-GOSISDBHSA-N 443.370 5.067 30 10 IKEE Clc1ccc(C=Nn2c(SCCc3ccccc3)nnc2[C@H]2CCCO2)cc1Cl 2330968043 PAYRLBGGPFSQFP-LJQANCHMSA-N 447.391 5.653 30 10 IKEE Clc1cccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2-c2ccco2)c1 2331225431 UDJXAWBPMOYYCU-UHFFFAOYSA-N 429.332 6.019 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)c1cccc(Cl)c1 2331256730 VICZQKVWCTYRTC-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(F)c3)c(OCC)c2)cc1 2331308949 FRMKNWMTRFMDCV-UHFFFAOYSA-N 448.490 6.129 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)COc1ccccc1 2331344775 LQGWQSILQYVQNQ-UHFFFAOYSA-N 434.463 5.413 30 10 IKEE COc1cccc(C=Nn2c(CC(C)C)nnc2SCc2ccc(Cl)cc2)c1OC 2331468344 ZXNVFTVRPMSJBQ-UHFFFAOYSA-N 444.988 5.322 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)Cc1cccs1 2331502939 MIJVXPWVCSWWQB-UHFFFAOYSA-N 434.557 6.314 30 10 IKEE Cc1cccc(C)c1OCC(=O)Oc1ccc(C=CC(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 2331530280 OYVLPMKMASCUJR-UHFFFAOYSA-N 449.434 5.231 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C(F)(F)F)c(Br)c1)c1ccc(F)c(F)c1 2331560214 GYMUFZCEFKAQPB-UHFFFAOYSA-N 435.142 5.091 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C2CCC2)c([N+](=O)[O-])c1)c1ccc(Oc2ccccc2)cc1 2331595570 JHGRNEHCLRPOON-UHFFFAOYSA-N 443.455 5.989 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2ccc(Cl)cc2)c1C 2331675885 QDGPQQWKVKCURD-UHFFFAOYSA-N 441.988 5.285 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)c1ccccn1 2331707977 HWYGFLJLKRYOSR-UHFFFAOYSA-N 435.907 5.866 30 10 IKEE CN[C@H](C#CC1(SC)CCC1)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2336233618 CVFOSNJCLZSSIQ-QGZVFWFLSA-N 439.419 5.346 30 10 IKEE N#Cc1ccc(OCc2ccc(Cl)cc2I)c(Br)c1 2340087577 MTDANYFIWLZSAC-UHFFFAOYSA-N 448.485 5.158 30 10 IKEE CN[C@H](C#CC1[C@H]2COC[C@H]12)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2341637191 KZQDIPKCWGIANI-ZONZVBGPSA-N 439.555 5.001 30 10 IKEE C=CCC(C)(C)[C@@H](Cc1ccc(I)c(Br)c1)NCC 2349813295 PZWVQTRTJSKUNA-OAHLLOKOSA-N 436.175 5.177 30 10 IKEE CSc1cc(Nc2ccc(Br)cc2I)ccc1C#N 2353834548 FZVPSZYAZXKWPW-UHFFFAOYSA-N 445.123 5.391 30 10 IKEE C=CCC[C@@H](C)[C@H](OCCC(=O)O)c1sc(Cl)cc1I 2366703767 GGGYIMAZUNZKRA-RNCFNFMXSA-N 428.719 5.141 30 10 IKEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(C)c(C)c2)c1 3024528 QJNXIYOUFWEMAV-UHFFFAOYSA-N 438.524 5.076 30 10 IKEE CCc1cccc(C)c1NC(=S)N/N=C1\C(=O)N(Cc2ccc(C)cc2)c2ccccc21 3041364 UMMFCOCAIZSBPS-COOPMVRXSA-N 442.588 5.103 30 10 IKEE C=CCN1C(=O)[C@H](C)Oc2cc(NC(=O)CCCOc3ccc(Cl)cc3Cl)ccc21 12081516 XEBUKPNXQZVVST-AWEZNQCLSA-N 449.334 5.091 30 10 IKEE C=C(C)COc1ccccc1NC(=O)COc1ccc([C@@H](C)CC)cc1Br 14832085 WOUBODVSFKLZEF-INIZCTEOSA-N 432.358 5.935 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(O)c2)cc1 21221144 RGMRRUXTHITNOC-PPHZAIPVSA-N 426.516 5.770 30 10 IKEE COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cccc(OC)c1O 21231217 SAEDLFAMOZUGGP-YHAMSUFESA-N 442.515 5.389 30 10 IKEE CC(C)Oc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccncc2)cc1 21240028 NVTVRGSKPDTNKJ-CCLHPLFOSA-N 425.532 5.848 30 10 IKEE CCn1nc(C)c(CCN/C(=N\C(=O)c2cc(C)cc(C)c2)Nc2ccc(C)cc2C)c1C 32973220 DDGYWPKPSAMYER-UHFFFAOYSA-N 445.611 5.194 30 10 IKEE Cc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3Cl)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N23)cc1 36059993 BYXZAQQCRJRABN-ZNZIZOMTSA-N 449.941 5.933 30 10 IKEE C=CCC[C@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1 36306269 ZRLMXWCGYBMGSD-QFIPXVFZSA-N 449.595 5.427 30 10 IKEE Cc1cc2c(n1-c1ccc(Cl)cc1)CC(C)(C)C/C2=N\OC(=O)c1ccc(Cl)cc1 39853211 ARBWNBJHZAXUKD-SZXQPVLSSA-N 441.358 6.626 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1cccs1 40094266 MBLBPXWUMINQQQ-NRFANRHFSA-N 427.566 5.470 30 10 IKEE C[C@H]1CCc2c(C#N)c(NC(=O)c3ccccc3CCc3ccccc3)sc(=S)c2C1 41011162 RYNIDMUGNHRRAD-KRWDZBQOSA-N 444.625 6.512 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OC(=O)c4cc5ccccc5o4)c3C)C2=O)c1 41352465 OWNORPXFNOKMSZ-XKZIYDEJSA-N 426.424 5.585 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)n1c(=S)[nH]c2ccccc2c1=O 100306992 QBHPIHFKIGTGJT-UHFFFAOYSA-N 444.685 7.961 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(NCc2ccco2)c1N 101531526 VOQCVOYSDQRBOJ-UHFFFAOYSA-N 429.653 7.157 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(Oc3ccc(Cl)cc3)cc2)NC(=S)N1 169938026 QXUSJILKQWNSGK-QFIPXVFZSA-N 434.948 5.808 30 10 IKEE CCCCCCCCCCN1C(=O)C(SCc2ccco2)=C(c2ccccc2)C1=O 170041355 DQHILRBHAILGFA-UHFFFAOYSA-N 425.594 6.434 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(C(C)C)cc2)ccc1F 170066645 LHRCQQZSYHBSLX-OFNKIYASSA-N 437.511 5.015 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2sccc2C)cc1C 170106230 NKRCCQKOPUCAFH-HXUWFJFHSA-N 448.500 5.364 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2C2CCCC2)c1 170121541 PDOWNNBJEOWWFK-XMMPIXPASA-N 447.575 5.822 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@@H]1c1cccc(OC(C)C)c1 170153407 DQQYTGHIZPLDIN-QFIPXVFZSA-N 437.536 5.088 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1cccs1)c1cccc2ccccc12 170163491 SHXPQMZXVASEQB-JOCHJYFZSA-N 426.497 5.075 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(OCCC)cc1 170215330 WBOOGZVHWYKOJM-VWLOTQADSA-N 447.575 5.733 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccccc2)cc1C 170229253 DRISZTLSOMIPRQ-HSZRJFAPSA-N 449.453 5.455 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@H]1c1c[nH]c2ccccc12 170255884 AXGJTVGXTAEEPP-HXUWFJFHSA-N 438.911 5.127 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cc4cc(Cl)ccc4o3)=C(O)C(=O)N2C2CCCC2)cc1 170268729 FYBULWDZALKZSY-HSZRJFAPSA-N 449.934 6.170 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1c1ccccc1 170272057 CYGBFCSKOOSGBB-DEOSSOPVSA-N 427.500 5.565 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2ccc(F)c(F)c2)o1 170299206 VEGXJCKOYGWWJD-NRFANRHFSA-N 434.398 5.130 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2c2ccccc2O)o1 170301102 MRRADUXJQXBZJI-QHCPKHFHSA-N 447.487 5.111 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2sccc2C)cc1 170314934 OMISSCBNLLJZFK-OAQYLSRUSA-N 433.529 5.628 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)c(F)c2)cc1 170360856 RCLPEFMWHQPXAU-QFIPXVFZSA-N 435.426 5.146 30 10 IKEE CCOc1cc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)ccc1O 170464051 IZIPOQCLHNNNOI-NRFANRHFSA-N 447.890 5.099 30 10 IKEE CC(C)=C[C@@H](OC(=O)C/C(C)=N/[C@@H](C)c1cccc2ccccc12)C(Cl)(Cl)Cl 199039551 ORNBOXYSTGJJJQ-XIQHUKJWSA-N 440.798 7.000 30 10 IKEE COc1ccc(/C=C2/SC(=Nc3ccccc3)N(CCc3ccccc3)C2=O)c(OC)c1 252593815 BMJXXZBZQDANFB-DNKROPNVSA-N 444.556 5.551 30 10 IKEE C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)C(=O)/C(=C\c3ccc(C(F)(F)F)cc3)C[C@H]12 253575073 UELTYJDTQILMTO-RRCILRKPSA-N 446.553 6.671 30 10 IKEE O=C(Oc1ccc(C=NNc2nc3ccccc3s2)cc1)c1ccc(Br)o1 254488844 LMSZHEVYYDSYBM-UHFFFAOYSA-N 442.294 5.317 30 10 IKEE O=[N+]([O-])c1cccc(N=Cc2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)c1 254711987 VMSSRFACACSPJK-MUUNZHRXSA-N 446.510 6.701 30 10 IKEE FC(F)(F)c1ccccc1NN=Cc1c(Br)sc2ccc(Cl)cc12 254883528 JZHDMDYXIVMXRY-UHFFFAOYSA-N 433.680 6.782 30 10 IKEE CCCCCCCCCCCCCC[C@@H]1OC(C)(C)O[C@@H]1[C@@H](O)[C@H]1COC(C)(C)O1 256067507 LGWUPCHVFJGQAF-BJESRGMDSA-N 428.654 6.110 30 10 IKEE C=C1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2[C@H]1C 257633911 XWMMEBCFHUKHEX-WOUOPRHLSA-N 426.729 8.025 30 10 IKEE endogenous,in-man CCN1/C(=C/C=Nc2ccccc2)N(CC)c2cc(C(=O)OCCC(F)(F)F)ccc21 334157050 QFKDXSSZHQWLSX-KHECYXNTSA-N 431.458 5.706 30 10 IKEE COc1ccc([C@@H]2C(c3cccc4ccccc34)=C(O)C(=O)N2c2ccccc2C#N)cc1 526611595 WNNYQMNCOOZNAA-AREMUKBSSA-N 432.479 5.777 30 10 IKEE CCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1cc(Br)ccc1O 526810060 VLICZCJFNNDXGF-JJFYIABZSA-N 445.386 5.100 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1ccc(OC)c(OC)c1 526811572 NYDGZHFWAXVQTN-MYYYXRDXSA-N 438.597 5.429 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1c(F)cccc1Cl 526821436 SPRGANJYACGVMF-WGARJPEWSA-N 438.959 6.351 30 10 IKEE CCc1nnc(SCc2cccc(F)c2)n1/N=C\c1ccccc1OCc1ccccc1 526825068 IGIFALSFJKKERX-YUMHPJSZSA-N 446.551 5.733 30 10 IKEE C[C@@H](c1ccccc1)N(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586143805 KCBNUZSQNCRGSF-FQEVSTJZSA-N 432.589 5.808 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C1 698901712 KWTYIWPMUAWFQD-QFIPXVFZSA-N 435.952 5.375 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2[C@](C)(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 698908358 HQKIKUWECPMTJW-SYKKWBAMSA-N 447.601 5.023 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2cccc(Cl)c2Br)cc1 719724863 GGBVWEPNMHMQJQ-QGZVFWFLSA-N 435.749 6.417 30 10 IKEE Fc1ccc(N=Cc2cc(Br)c(I)o2)cc1Cl 1084343222 LFPGPDWQSADMCA-UHFFFAOYSA-N 428.426 5.190 30 10 IKEE O=S(=O)(NC1CCCCC1)c1ccc(N=Cc2ccc(OCc3ccccc3)cc2)cc1 1084446568 WGDGDTLAUBLHIZ-UHFFFAOYSA-N 448.588 5.627 30 10 IKEE CCCCSc1ccc(N=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1 1084520506 FAMYQJZSHBHTIU-UHFFFAOYSA-N 434.992 6.900 30 10 IKEE C=CCCCCCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CC=CCC1 1301169902 ISVNGKZCNZPEJU-LJQANCHMSA-N 432.572 5.133 30 10 IKEE CC1=C[C@@]2(C)C=C(C)[C@H]3[C@H](C(C)=C[C@@]3(C)[C@@H]1C)[C@H]2/C=C/C(O)=C1/C(=O)[C@@H]2CCCN2C1=O 1613882140 WDPIULZTNJKEMP-TXJNUCTPSA-N 433.592 5.305 30 10 IKEE CCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNc2ccccc2)CC(C)(C)C3)cc1 1772729424 NPLWYUYZCPOARS-UHFFFAOYSA-N 431.536 6.028 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=Nc1cccc(C(=O)O)c1 1772733955 DJOOOLQPFVEPRT-ZZYMSUEGSA-N 433.316 5.482 30 10 IKEE O=C1/C(=C\c2ccncc2)SC(=Nc2nc(-c3ccccc3)cs2)N1C1CCCCC1 1772738654 QVLPZFJWPXAYQW-ZJRBDENDSA-N 446.601 6.142 30 10 IKEE Cc1cccc(N=C2S/C(=C/C=C\c3ccco3)C(=O)N2c2cccc(C)c2C)c1C 1772742940 ZSSOKLHEPSQENH-WSKJWIJISA-N 428.557 6.878 30 10 IKEE COc1ccc(CC(=O)Nc2cccc3c(OC(=O)c4cccc(C#N)c4)cccc23)cc1 1858919816 SUJYMQVLPUGGBH-UHFFFAOYSA-N 436.467 5.120 30 10 IKEE N#Cc1c(Nc2cccc(-c3csc(-c4ccccc4Cl)n3)c2)ncc2c1CCC2 1859863073 ZLOBJNBAKOCAJX-UHFFFAOYSA-N 428.948 6.629 30 10 IKEE CCCCCCCCNC(=O)[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 1861021327 CSLUXZWQNMLZIT-OAQYLSRUSA-N 445.947 5.196 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)/C=C/c1ccc(OC)cc1 1861078069 FBYYVAOCLYOFTG-AKXFXYSNSA-N 448.673 5.203 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)CCCOc1ccccc1 1861693738 OYRBANDBPYPBAQ-RUZDIDTESA-N 438.612 5.050 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(C(C)C)cc2)n(Cc2ccc(Cl)cc2)n1 1862371587 DMZIMCJXXFJVAM-UHFFFAOYSA-N 433.983 6.189 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(Cl)cc3)[C@@H]2c2cccc(C)c2)cc1 1862475955 YGDXJGOGCUZXLT-XMMPIXPASA-N 445.946 5.778 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(Cl)cc2)cc1 1862476268 HIWJGYAOVFJSNE-HSZRJFAPSA-N 431.919 5.735 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1862488081 QIEVLCGJSFXNDN-HXUWFJFHSA-N 440.883 5.078 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccccc2C)cc1 1862490191 POHGZTKRNKNXOT-VWLOTQADSA-N 425.528 5.699 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 1862492626 WEZVRNXYLLAZOL-HSZRJFAPSA-N 448.519 5.513 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccccc2C)ccc1F 1862507966 VWBIHRFZQJWTGT-MHECFPHRSA-N 429.491 5.782 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1c(F)cccc1Cl 1862561211 NPCWVOAJDLFDRZ-LZHZSBQWSA-N 442.918 5.218 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C2CCCC2)cc1 1862580455 JZRQWNPSIAXIIN-HXUWFJFHSA-N 430.331 5.823 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2ccccc2F)cc1 1862590218 DMIPXJJSKVWJSN-FYSMJZIKSA-N 445.490 5.433 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@@H]1c1ccc(F)cc1F)c1cccc(O)c1 1862594196 BTFBCZUVKTXVMS-JOCHJYFZSA-N 439.458 5.139 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1c(F)cccc1Cl 1862644232 GRGUPEIZFWWGFK-WLRWDXFRSA-N 435.854 5.004 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1c(Cl)cccc1Cl 1862659211 ZRRKXSXRDKQZQC-OAQYLSRUSA-N 440.326 6.133 30 10 IKEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 1862666534 GFYLCMUMDZQBQT-HSZRJFAPSA-N 435.564 5.332 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862678944 SRUZJQJYDTWIGO-CJAUYULYSA-N 443.518 6.289 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccc(OC)cc3)[C@@H]2c2ccccc2)cc1 1862688355 WPNZKLVBFMXINJ-BXKMTCNYSA-N 443.499 5.043 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CC(C)C)c1 1862719849 PQSVYXBCDPODEP-VWLOTQADSA-N 443.543 5.863 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCCCCCCC)cc2)[C@@H]1c1ccccc1C 1862732581 JDZQQCURIULVQU-VWLOTQADSA-N 447.575 6.109 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1 1862888202 HQMYIDVQHJUCBF-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE CCOc1ccccc1NC1=C(c2ccccc2Cl)C(=O)N(c2ccccc2C#N)C1=O 1863082885 DQRCAYNIVZKRAF-UHFFFAOYSA-N 443.890 5.007 30 10 IKEE N#Cc1cccc(NC2=C(c3cccs3)C(=O)N(c3ccc(Cl)cc3Cl)C2=O)c1 1863115648 DOOFARSRSZMNQU-UHFFFAOYSA-N 440.311 5.323 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccccc2C)=C(c2ccc(C)c(C)c2)C1=O 1863253496 LDYQWXDFCQYZRO-UHFFFAOYSA-N 446.635 6.945 30 10 IKEE CCCCCCCCCCNC1=C(c2cccs2)C(=O)N([C@H](C)c2ccccc2)C1=O 1863805846 ILZXRKTXIRUOHT-HXUWFJFHSA-N 438.637 6.320 30 10 IKEE C[C@H]1COC[C@@H](C)N1c1cc(Nc2ccc(C#N)cc2)nc(-c2ccc(C(C)(C)C)cc2)n1 1868552523 FWFCETLCOYTCIC-KDURUIRLSA-N 441.579 5.670 30 10 IKEE COc1ccc(Cn2cc(OCc3ccc(C#N)cc3)c(=O)cc2CSC(C)(C)C)cc1 1870233022 UIGWGXHLVFKKGD-UHFFFAOYSA-N 448.588 5.388 30 10 IKEE CCCCCCCCn1cc(OCCOC(C)C)c(=O)cc1CN1C[C@@H](C)C[C@H](C)C1 1870541022 ZLCTZHANWPSSDC-GOTSBHOMSA-N 434.665 5.491 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)OCC)c(=O)cc1CN1CCC(C)CC1 1870695541 MOFPFLKQGJIBNY-UHFFFAOYSA-N 448.648 5.163 30 10 IKEE CCCCCCCCn1cc(OCC(C)C)c(=O)cc1CNc1cc(Cl)ccc1C 1870857681 AMPTWQSHWFGBBM-UHFFFAOYSA-N 433.036 6.818 30 10 IKEE CCCCCCCCCCn1cc(OC)c(=O)cc1CNc1cccc([N+](=O)[O-])c1C 1870999584 GYVGRRKKTOSOGX-UHFFFAOYSA-N 429.561 5.826 30 10 IKEE CCCCCCCCn1cc(OCC(=O)NC)c(=O)cc1CNc1ccccc1C(C)C 1871015700 VDLGJRYCNBIJNB-UHFFFAOYSA-N 441.616 5.069 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(Cl)cc1Cl)O3)CN(CCCCCO)CO2 1871352268 XXEHXAJXPSADQZ-JMIUGGIZSA-N 448.346 5.233 30 10 IKEE CN(Cc1c(O)ccc2c1O/C(=C\c1c(Cl)cccc1Cl)C2=O)C1CCCCC1 1871393464 OLNUUOXQORGHCK-MTJSOVHGSA-N 432.347 6.080 30 10 IKEE Cc1cc(O)c(CN2C[C@@H](C)C[C@@H](C)C2)c2c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O2 1871396630 PHBJWYFOSQQUBW-CYLBCFLHSA-N 433.592 6.092 30 10 IKEE COc1ccc2c(c1)c(/C=C1\Oc3c(ccc(OCCc4ccccc4)c3C)C1=O)cn2C 1871400290 UNLBIFWNHFGHPO-YSMPRRRNSA-N 439.511 5.733 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCCCCOc4cccc(C)c4)c3C)C2=O)cc1 1871403292 JSGRGTDMCKYTPZ-ITYLOYPMSA-N 428.528 6.466 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCCCOc4ccc(OC)cc4)ccc3C2=O)cc1 1871415664 NLDHFQFMLMQTPE-ONUIUJJFSA-N 446.499 5.558 30 10 IKEE Cc1c(OCC(=O)NC2CCCCC2)ccc2c1O/C(=C\c1cccc(Cl)c1)C2=O 1871437800 CQAZRGLYKXMGFL-BKUYFWCQSA-N 425.912 5.092 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OCC(=O)Nc3cccc(Cl)c3)c2C)C1=O 1871455682 UCJBDECCSPFYOV-UUYOSTAYSA-N 433.891 5.591 30 10 IKEE Cc1cc(OCC(=O)Nc2ccccc2)cc2c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O2 1871460375 JPYQJJVXPZABQP-OYKKKHCWSA-N 427.500 5.752 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(OC)cc2)[nH]c(N2CCCCCC2)n1 1871561364 HRRAACBKCBVROK-UHFFFAOYSA-N 426.609 5.199 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(CCCC)cc1)[C@@H](C)CC)S(=O)(=O)CCCC 1871831377 HVQICVXVKSIKCV-NZQKXSOJSA-N 436.662 5.390 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(CC)cc1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872105532 CRPODKJCSXSFDB-RDPSFJRHSA-N 442.625 5.178 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(=O)(=O)CCC 1872215806 DMTUBCOILRCEMK-DEOSSOPVSA-N 442.625 5.387 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1cccs1 1872447197 XNLULQVQCUUNNY-OAQYLSRUSA-N 448.654 5.636 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)n2)cc1 1872765719 VNUCWHVFYPWXAM-IBGZPJMESA-N 448.548 5.617 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccccc3Cl)n2)cc1 1872768359 QFSGZKLODCIVMK-SFHVURJKSA-N 440.952 5.898 30 10 IKEE CCCCCCCCNC1=C(c2cc(F)cc(F)c2)C(=O)N(C2CCCCCCC2)C1=O 1873113025 JCBYIUQPLOOVEL-UHFFFAOYSA-N 446.582 6.108 30 10 IKEE C=CCN1C(=O)C(Nc2cc(Cl)cc(Cl)c2)=C(c2ccc(-n3cccc3)cc2)C1=O 1873203285 IKVXDJJPCJSGLW-UHFFFAOYSA-N 438.314 5.162 30 10 IKEE C=CCN1C(=O)C(Nc2cc(C)ccc2OCCC)=C(c2c(Cl)cccc2Cl)C1=O 1873289267 FBTXIVWOVXKVTD-UHFFFAOYSA-N 445.346 5.469 30 10 IKEE O=C1c2ccccc2C(=O)N1/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 1873498748 GVEWZSZQTWEPJB-BRJLIKDPSA-N 425.271 5.203 30 10 IKEE NC1=C(c2nc(-c3ccccc3)c(-c3ccccc3)s2)C(=O)CN1c1cccc(Cl)c1 1873527949 ZOYTUXNMYAXEQF-UHFFFAOYSA-N 443.959 5.847 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(OCc3ccccc3)cc1)n2CCC 1873612975 QAQUOPCSWQEYQY-UHFFFAOYSA-N 441.535 5.271 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)c(C)c2)cc2c(NCc3ccc(O)cc3)ncnc21 1873641132 CTRFOMBFNBIUPV-UHFFFAOYSA-N 447.926 5.149 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)c(C)c2)cc2c(N3C[C@H](C)C[C@@H](C)C3)ncnc21 1873666329 NIIYXQLUNHWPEE-HZPDHXFCSA-N 437.975 5.314 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1/N=C/c1ccccn1 1874195113 YJFCDSDELBXSHY-WPWMEQJKSA-N 449.624 5.533 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccc(N(C)C)cc1 1874231167 WIPJNKAOOZUPFP-ZVHZXABRSA-N 441.988 5.045 30 10 IKEE Cc1ccccc1OCCCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc[nH]1 1874248159 DILXODKZEHGFID-JVWAILMASA-N 449.555 5.240 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccc(N(C)C)cc1 1874264594 GLCHPNPVSWXSPS-ZMOGYAJESA-N 441.988 5.127 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccccc3)n2/N=C/c2ccccc2)CC1 1874288081 MWXLLYRWVKUUQD-ZXVVBBHZSA-N 432.637 6.917 30 10 IKEE CCSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874366661 NQOWOOBRBUPRIQ-YDZHTSKRSA-N 430.961 5.389 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2F)n1/N=C/c1ccc(O)cc1 1874395521 OQHYCGSHZASSQO-CIRUFVMISA-N 432.524 5.449 30 10 IKEE CC(C)c1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874509153 NYEFVEZWELXILN-FOKLQQMPSA-N 448.379 5.321 30 10 IKEE CC(C)c1nnc(SCCc2ccccc2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874513592 GXLOWANNXORXED-LPYMAVHISA-N 429.933 5.180 30 10 IKEE COC(=O)c1ccc(COc2ccc(Cl)cc2/C=C/C(=O)c2ccc3ccccc3c2)o1 1874571352 IXJCGGKOJNRDAP-DHZHZOJOSA-N 446.886 6.348 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1 1874579771 HHOLPQUWZWPBHD-NTUHNPAUSA-N 441.354 7.257 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 1874581212 BTPJQBBYXHUOQK-BUHFOSPRSA-N 426.487 6.771 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1ccccc1Cl)c1ccc2c(c1)OCO2 1874583150 ZBNUJYBGRFSMQI-VMPITWQZSA-N 427.283 6.197 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OCCc1ccccc1 1874604149 XWIGGKVQVMOBSK-NTCAYCPXSA-N 442.555 6.100 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccc(Br)cc1 1874608175 ZYJQIMNSJGOPMD-VGOFMYFVSA-N 427.725 6.578 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Cl)c(OCc2cccc(Cl)c2)c(OC)c1 1874610185 FUFQLSATKSHSCK-ZHACJKMWSA-N 443.326 6.486 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 1874622417 XHHYSQKSNAZXBW-GIJQJNRQSA-N 427.544 6.206 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3cc(C)ccc3C)cc2)c(OC)c1OC 1874639832 QOLXGHNHTDSNDZ-GXDHUFHOSA-N 432.516 5.804 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(-n3cccc3)cc2)c1)c1ccc2c(c1)CCCC2 1874693578 LWZROEWVRMQQFY-LICLKQGHSA-N 447.534 6.471 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cccc(OC(=O)Cc3cccs3)c2)c1 1874713421 VSXUDHSKYDVRAW-ZRDIBKRKSA-N 436.529 5.590 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc(Br)c1O 1874719587 QNGOBNGZEBCCPU-CSKARUKUSA-N 427.294 5.611 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3cccc(OC)c3)c(OC)c2)cc1 1875101334 LFBFNUJQRYIUCQ-XNTDXEJSSA-N 444.527 5.701 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OC)cc3)c(Cl)c2)cc1 1875106689 GLZLBBSQGSYVBV-LZYBPNLTSA-N 448.946 6.807 30 10 IKEE Cc1ccsc1C(=O)Oc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] 1875124747 ZYHMAAJQACJAIC-FNORWQNLSA-N 427.865 5.733 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2Cl)c1 1875133366 RHVACSQHQAHNLM-MDWZMJQESA-N 434.919 6.091 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OC(=O)CCOC 1875149359 MILCPVGURITITK-KPKJPENVSA-N 444.955 5.874 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3cccc4ccccc34)cc2)cc1 1875154311 XXLZIGYZVFCTRX-CPNJWEJPSA-N 436.507 6.283 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1[N+](=O)[O-])c1cccs1 1875155179 PRWCXRKDWAASOF-ZRDIBKRKSA-N 429.453 5.925 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])c(C)c1 1875158471 XTVQPYGQFNPSQK-ONNFQVAWSA-N 449.434 5.231 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(F)c(F)c2)cc1 1875184732 NUEWMYUIMQWALX-RIYZIHGNSA-N 434.482 6.686 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3cc(C)ccc3C)cc2)cc1C 1875186616 FBVGGRZOJKUQGH-JLHYYAGUSA-N 428.528 5.973 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C1(C)C 1947975202 ZCBZNLNSKANVQZ-HSZRJFAPSA-N 433.524 5.249 30 10 IKEE CCCCCCCC[C@@H](O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997449503 SXODUQKYHDBQKF-ZEQKJWHPSA-N 433.633 5.942 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1C[C@]2(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 2000547953 LDBIYQPGCSLNAK-MCLIINAXSA-N 447.601 5.071 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@H]1CCC2(CCC2)N(C(=O)OC(C)(C)C)C1 2014026019 MCYDLPNUJILPCY-DHIUTWEWSA-N 428.617 5.307 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@](C)(C#N)CSC(C)(C)C 2028151931 MWQNKXUFIIXESM-LJQANCHMSA-N 427.408 6.005 30 10 IKEE CCN[C@H](CC#CC1CCCCC1)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2035468087 HVUORYVKJMVFMJ-JWQCQUIFSA-N 442.644 5.439 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Cl)cc1Br 2077804778 DMBLTIGCSGUMHG-SJORKVTESA-N 431.802 5.613 30 10 IKEE COC(=O)c1c(C(C)(C)C)nn(Cc2cc(F)cc(C(F)(F)F)c2)c1C(F)(F)F 2079024750 HPQCVNDSYQLRGV-UHFFFAOYSA-N 426.332 5.192 30 10 IKEE COC(=O)c1c(C(F)(F)F)nn([C@H](c2ccc(C(F)(F)F)cc2F)C(C)C)c1Cl 2079956758 LFTQMGYODRJHMH-LBPRGKRZSA-N 446.750 5.745 30 10 IKEE Cc1cc(-c2c(C(F)(F)F)nn(C(F)(F)F)c2I)ccc1F 2080744057 QBQABHPZJWZRQN-UHFFFAOYSA-N 438.084 5.097 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)cc1Br)NCCC 2088508946 CMISZKYXBQCGBO-MSOLQXFVSA-N 445.829 5.483 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@]1(C#N)CCN(Cc2ccccc2)CC12CCC2 2098711541 IDQCLSHKHVYRAI-MHZLTWQESA-N 449.570 5.906 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1sc(Br)cc1C 2100760706 BKNSRZFUFUMTPA-CQSZACIVSA-N 437.359 5.834 30 10 IKEE N#Cc1cc(Br)cnc1N[C@@H]1CN(Cc2ccccc2)C2(CCCCC2)C1 2154542164 RGRPFSIYSSAKPG-FQEVSTJZSA-N 425.374 5.105 30 10 IKEE CC(C)(C)OC(=O)N1CCc2cccc(Nc3cccc(Br)c3C#N)c2C1 2162418378 QNFFOYREJZQMJR-UHFFFAOYSA-N 428.330 5.358 30 10 IKEE CC1(C)OB(C=C2CCN(Cc3ccc(Cl)c(Br)c3F)CC2)OC1(C)C 2166758427 VJFDMYWBPHEGAO-UHFFFAOYSA-N 444.581 5.395 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CC[C@@H]2CCCN[C@H]2C1 2166987040 ZYPPNNGCDHNQLI-HZUJVAHNSA-N 434.378 5.005 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc2c(c1)N(c1ncc(Br)cc1C#N)CCC2 2174809790 DPXNXXIGDKRGCK-UHFFFAOYSA-N 429.318 5.147 30 10 IKEE CCN(c1ccc(C#N)c(Br)c1)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2174815006 OSQFAOHNUDRVSM-JWTNVVGKSA-N 434.378 5.078 30 10 IKEE C=CCC1([C@H](NCC)c2cc(C)c(Br)cc2C)CN(C(=O)OC(C)(C)C)C1 2201077165 HGZGSMDZGSSPAV-LJQANCHMSA-N 437.422 5.530 30 10 IKEE CCCCCC#CC[C@@H](NCC)c1cc(Br)ccc1I 2203807129 KMCJSLPFLCVQAV-QGZVFWFLSA-N 448.186 5.678 30 10 IKEE CCN[C@H](C#CP(C)(C)=O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2218399726 FJPUSUQEIPWKAB-OAHLLOKOSA-N 429.295 5.030 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Br)cc1Cl 2222741145 VVNUVFHTYSKZFJ-IRXDYDNUSA-N 431.802 5.613 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1sc(C)c(C)c1Br 2229303046 AAINOLHXMAHDFQ-WBVHZDCISA-N 445.467 6.028 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)cc1Cl 2230376334 CZZBGMNVMFGZSV-ZWKOTPCHSA-N 445.829 6.003 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@H](N)C#Cc2cccc(Cl)c2)cc1Br 2231007302 XPDAERWBPVBKON-QGZVFWFLSA-N 435.749 5.501 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)C[C@H](NC(=O)OC(C)(C)C)[C@H](C)CC 2235722757 KLTNOXCLMGRXRW-POAQFYNOSA-N 437.422 5.108 30 10 IKEE CN[C@H](C#Cc1ccccc1Br)C[C@H](CC(C)(C)C)NC(=O)OC(C)(C)C 2235731843 XSVSIKXVKQYSPC-QZTJIDSGSA-N 437.422 5.108 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)CC[C@@H](CC)NC(=O)OC(C)(C)C 2235747891 UMNANYDGPOPHOB-RTBURBONSA-N 437.422 5.252 30 10 IKEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1sc(Br)c(C)c1C 2265880742 QVIOMISUTVBASZ-HNNXBMFYSA-N 444.439 5.271 30 10 IKEE N[C@H](C#Cc1ccc(Br)cc1)c1cccc(Br)c1Br 2278795457 HAKDJYYTZBDCDP-CQSZACIVSA-N 443.964 5.026 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](Nc2ccc(Br)cc2C#N)C[C@H]2CCCC[C@H]21 2279549568 IWAMGRZDBUYFGX-LSBZLQRGSA-N 434.378 5.301 30 10 IKEE C=CCCC1([C@@H](NCC)c2ccc(Br)cc2C)CN(C(=O)OC(C)(C)C)C1 2281047399 ZGIULDYUYUUETI-IBGZPJMESA-N 437.422 5.611 30 10 IKEE CCCc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)cc1 2283523742 SBHLKIDTADEMMU-FQEVSTJZSA-N 429.358 6.408 30 10 IKEE CCCSC1=NC(=Cc2cc(Cl)c(OCc3ccccc3)c(OCC)c2)C(=O)S1 2297620176 VMKBERNHVBCTQG-UHFFFAOYSA-N 448.009 6.431 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@H]1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 2298584112 HFXGGURVLBGXAA-MOUTVQLLSA-N 428.617 5.163 30 10 IKEE COC(=O)c1ccc(C=C2SC(=Nc3nc(C)cs3)N(C3CCCCC3)C2=O)cc1 2314543463 DYHFBWMRYQDLFS-UHFFFAOYSA-N 441.578 5.175 30 10 IKEE C=CCN1C(=O)C(=Cc2ccccc2OC)SC1=Nc1nc(-c2ccccc2)cs1 2314544085 SRPFYISYAQVRRL-UHFFFAOYSA-N 433.558 5.609 30 10 IKEE Cc1c(OCc2ccc(Cl)cc2)ccc2c1OC(=Cc1c(Cl)cccc1Cl)C2=O 2321770819 BBDXGPXSPMRWMD-UHFFFAOYSA-N 445.729 7.150 30 10 IKEE COc1ccc([C@@H](C)N2COc3ccc4c(c3C2)OC(=Cc2sccc2C)C4=O)cc1 2322239885 RQTKERCSQUSNNO-MRXNPFEDSA-N 433.529 5.594 30 10 IKEE CCc1ccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3ccccc3Cl)C4)C2=O)cc1 2322305580 BWODFNYRGSEWLI-UHFFFAOYSA-N 445.946 6.179 30 10 IKEE COc1cccc(C(=O)C=Cc2cccc(OC)c2OCc2ccc(Cl)c(Cl)c2)c1 2322377451 OYLDFKXEEOJYAT-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE Cc1ccc(COc2ccc(Br)cc2C=CC(=O)c2cccc(Cl)c2)cc1 2322524761 PERJNTWBDLVKNZ-UHFFFAOYSA-N 441.752 6.886 30 10 IKEE Cc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(Br)cc2)C3=O)c1 2322880660 FTIPWWQWKQBMGT-UHFFFAOYSA-N 435.273 5.593 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3ccccc3C)c2)cc1C 2323078645 FPOYGERQYMEQSH-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE Cc1c(OC(=O)c2ccc(F)c(F)c2F)ccc2c1OC(=Cc1cccc(Cl)c1)C2=O 2323127358 VKWIRGXVICTPMH-UHFFFAOYSA-N 444.792 5.901 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1 2323177415 OTSVFNKGNOPTHL-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE CCn1cc(C=C2Oc3cc(OC(=O)c4ccc(C)c(C)c4)ccc3C2=O)c2ccccc21 2323247511 FXNJIQKNDUJXNP-UHFFFAOYSA-N 437.495 6.113 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3cc(OC(=O)c4cccc(F)c4)ccc3C1=O)cn2C 2323290833 FNWZRXBMRNDLGG-UHFFFAOYSA-N 443.430 5.161 30 10 IKEE CN(C)c1ccc(C=C2Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc3C2=O)cc1 2323318496 PGLRJXSWKGLAKX-UHFFFAOYSA-N 445.902 5.641 30 10 IKEE CCOc1cc(C=Nn2c(S)nnc2C(CC)CC)ccc1OCc1ccccc1F 2323485392 AJSQDZQLKVWYFX-UHFFFAOYSA-N 442.560 5.469 30 10 IKEE Cc1cc(OC(=O)c2cc(Cl)ccc2Cl)cc2c1C(=O)C(=Cc1ccc(F)cc1)O2 2323581588 YJJFJFCQVWXGGL-UHFFFAOYSA-N 443.257 6.276 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc2c(c1)OC(=Cc1c(Cl)cccc1Cl)C2=O 2323720317 LEOJXVODYNSQES-UHFFFAOYSA-N 439.294 6.148 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1OCc1ccccc1 2324332023 XKOZCFPBWTYIPP-UHFFFAOYSA-N 434.963 7.057 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc([N+](=O)[O-])c1OCc1ccccc1 2324561197 MASBNTCXLZXOGB-UHFFFAOYSA-N 445.515 6.394 30 10 IKEE CCc1ccc(OCCCOc2cc(C)c3c(c2)OC(=Cc2cccc(OC)c2)C3=O)cc1 2324662281 OROBQAIJVCSBTJ-UHFFFAOYSA-N 444.527 6.030 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O)Nc1ccc2ccccc2c1 2324954890 YLBDBQWZPCLSEB-UHFFFAOYSA-N 439.442 5.613 30 10 IKEE Fc1ccc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccccc2F)cc1 2325441596 KYOAWJWPRAWYLB-UHFFFAOYSA-N 434.515 5.516 30 10 IKEE CCOc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2cccc(C)c2)cc1 2325471433 WYQVYJYSWDFILW-UHFFFAOYSA-N 442.588 5.751 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OCC(=O)Nc4c(C)cccc4C)c3C)C2=O)c1 2325494598 BLHCPJDAOYRSJC-UHFFFAOYSA-N 443.499 5.254 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C(C)(C)C)cc4)cc(C)c3C2=O)o1 2325554563 TYDHPZIAVHMQMI-UHFFFAOYSA-N 445.515 5.828 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(OC)c(OC)c1 2325571943 AUPJYXUCXPEIHK-UHFFFAOYSA-N 448.951 5.215 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)CCCSC)c2)cc1 2325710955 QXIGWBJHDXIASU-UHFFFAOYSA-N 426.578 5.983 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(Cl)cc3Cl)c2)cc1 2325719453 BFAYMHRNIQEALW-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE CCCCC(=O)Oc1cc(C=CC(=O)c2ccc(C)cc2)c(Br)cc1OC 2325738224 XHRPWTKDAJEDNF-UHFFFAOYSA-N 431.326 5.758 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OC(=O)c1ccc(N(C)C)cc1 2325741417 VJBHGJVJDIHTEC-UHFFFAOYSA-N 433.479 5.324 30 10 IKEE CCCCOc1ccc(C=Nn2c(CCCOc3cccc(C)c3)nnc2SC)cc1 2326959494 OPVANAWCMVFJKO-UHFFFAOYSA-N 438.597 5.381 30 10 IKEE C=CCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(N(C)C)cc1 2327771901 RQHKKAKMJGKFRA-UHFFFAOYSA-N 427.577 5.248 30 10 IKEE COc1ccc(Cc2nnc(SCc3cccc(C)c3)n2N=Cc2ccc(C)cc2)cc1 2329252557 CPIVICCXNKTZLI-UHFFFAOYSA-N 442.588 5.669 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2N=Cc2ccccn2)cc1C 2329445792 OIAPIORVQWKXPX-UHFFFAOYSA-N 447.995 5.709 30 10 IKEE CCOc1cccc(C=Nn2c(CCc3cccs3)nnc2SCc2ccccc2)c1 2329663771 NBTSCTKTCWLHSR-UHFFFAOYSA-N 448.617 5.698 30 10 IKEE Cc1ccc(C=Nn2c(Cc3ccc(C)cc3)nnc2SCc2ccc(F)cc2)cc1 2329943752 OSHSZJHZTIZAQZ-UHFFFAOYSA-N 430.552 5.799 30 10 IKEE COc1ccccc1C=Nn1c(Cc2ccc(C)cc2)nnc1SCc1ccccc1 2329990227 PEIUAFHMQWHCDY-UHFFFAOYSA-N 428.561 5.360 30 10 IKEE CC(C)c1ccc(C(=NOCc2cc(=O)c(OCc3ccccc3)cn2C)C2CC2)cc1 2330303638 UAWPDNYGGYIMAY-UHFFFAOYSA-N 430.548 5.419 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3ccccc3C)nnc2-c2cccs2)cc1 2330537682 OQZCEMAPMDVFKB-UHFFFAOYSA-N 448.617 6.278 30 10 IKEE CC(C)(C)CC(=O)Oc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1Cl 2330600210 DIDMSRPUOPVXPX-UHFFFAOYSA-N 432.947 7.245 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc(Cl)c2)n1N=Cc1cc(Cl)ccc1O 2330873327 VFWKAUXOLVCGGT-UHFFFAOYSA-N 449.407 6.054 30 10 IKEE O=C(Cc1ccc(Cl)c(Cl)c1)Oc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1 2331116416 ZRZBEPMOENRMSH-UHFFFAOYSA-N 445.729 6.691 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)c1ccccc1 2331135851 HVVMYPIXRHMFBA-UHFFFAOYSA-N 432.903 6.192 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)CCCSC 2331226608 YKEMSKOLPGZYKN-UHFFFAOYSA-N 446.996 6.300 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1cnccn1 2331249165 XWSOWILDSXZBKA-UHFFFAOYSA-N 443.286 5.297 30 10 IKEE CC(C)(C)c1nnc(SCc2ccccc2Cl)n1N=Cc1ccc2c(c1)OCCO2 2331398038 XAXHDVQUJKMQHV-UHFFFAOYSA-N 442.972 5.175 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2ccc(Cl)cc2Cl)nnc1C(C)(C)C 2331412681 WHPPKLRFJMMCQH-UHFFFAOYSA-N 433.408 6.365 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(C2CCC2)n1N=Cc1sccc1C 2331491943 YTYYHYYEVAZQSY-UHFFFAOYSA-N 439.610 5.091 30 10 IKEE CCCCCCCCCCNC(=O)c1cccc(COc2ccc(C=C[N+](=O)[O-])cc2)c1 2331862967 CUYIZIIOMAKLIZ-UHFFFAOYSA-N 438.568 6.384 30 10 IKEE O=CC1(Cc2ccc(I)c(Br)c2)CCCCCCC1 2349849017 ZDKCJGLULLFYLW-UHFFFAOYSA-N 435.143 5.526 30 10 IKEE CC[C@@H]1CCC[C@](C=O)(Cc2ccc(I)c(Br)c2)C1 2349912918 AJLNDGANFLDCNY-MLGOLLRUSA-N 435.143 5.382 30 10 IKEE Cc1cccc(C)c1/N=C1\Oc2ccccc2N(C(=O)C(F)(F)F)[C@]1(C)c1ccccn1 4763286 BTVFTQFAISVIFA-WEHFJGPMSA-N 439.437 5.632 30 10 IKEE C=CCOc1ccccc1NC(=O)c1ccc(C(=O)Nc2ccccc2OCC=C)cc1 9818348 AGPAGYNTXDYTGO-UHFFFAOYSA-N 428.488 5.321 30 10 IKEE Cc1ccc(/N=C2\S/C(=C/c3ccccc3[N+](=O)[O-])C(=O)N2c2ccc(C)cc2)cc1 15774278 CURQHOKSYYCXTN-LBMUFILHSA-N 429.501 6.020 30 10 IKEE C=CCSc1ccccc1NC(=O)CSc1nnc(C(C)(C)C)n1-c1ccccc1 20838582 PHISXGHJDCIITL-UHFFFAOYSA-N 438.622 5.574 30 10 IKEE COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2O)cc1OC 21224051 LTMVJUGNGHMDSS-CRYYWNKWSA-N 442.515 5.389 30 10 IKEE CCc1ccccc1NC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1 21355960 VGVXVFRZFLVXMX-RUZDIDTESA-N 427.504 6.054 30 10 IKEE C=CCN1C(=O)c2[nH]nc(-c3cc(Cl)ccc3O)c2[C@@H]1c1ccc(Cl)c(Cl)c1 39898628 DSYRMHBGZKPMDI-IBGZPJMESA-N 434.710 5.474 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(C(C)(C)C)cc1 40097459 AFJJTAVZEOPQKI-HSZRJFAPSA-N 431.532 6.109 30 10 IKEE CC[C@@H](Sc1nnc2cc(C)c3cccc(C)c3n12)C(=O)Nc1oc(C)c(C)c1C#N 40170488 FTAZASPPAVHMGV-GOSISDBHSA-N 433.537 5.090 30 10 IKEE C=C(C)C(=O)NCCCCCc1nc2ccccc2n1CCCCOc1ccc(C)cc1C 40219829 YBGFTCRRVNWSRM-UHFFFAOYSA-N 447.623 5.917 30 10 IKEE CCOc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCc2cccs2)C4)cc1 41646375 WGDOVZXJYXTVAY-UCQKPKSFSA-N 447.556 5.466 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2ccccc2OC(C)C)cc1 100262212 LFMNRYVUSHZQBG-UHFFFAOYSA-N 428.598 5.950 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 100326724 LRNLPYJTMKBGSD-HWBMXIPRSA-N 440.425 7.625 30 10 IKEE CCCCCCCOc1c(Cl)cc(C(=O)Sc2ccc(Cl)cc2)cc1Cl 101138495 ZQIMHZKUIKEDSX-UHFFFAOYSA-N 431.812 7.929 30 10 IKEE CN(C)c1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2C2CCCCC2)cc1 169956925 XYMFMKQQICORFE-XMMPIXPASA-N 444.531 5.410 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2cccc(C)c2)cc1C 169970248 HNTQUHSBCANDLV-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cccc3ccccc23)[C@@H]1c1cccs1 169985995 KBJLCZGIKCILBW-HSZRJFAPSA-N 441.508 5.693 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 170029357 CWVUYEBWHFYKEB-RUZDIDTESA-N 441.527 5.739 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2ccc(F)cc2)cc1C 170063888 FRKUESGXOBWNER-QFIPXVFZSA-N 437.417 5.504 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(C(C)C)cc2)cc1C 170068054 DMRYFTIIKMHADL-RUZDIDTESA-N 440.543 5.600 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(Cl)cc3)[C@@H]2c2ccco2)cc1 170096687 HGXFTWOBKFAVBD-JOCHJYFZSA-N 435.907 5.316 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(N(C)C)cc1 170128949 GQUWCZCRSCXYNJ-XMMPIXPASA-N 428.532 5.284 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1cccc(C)c1 170147588 ZMVLDNVUSIWPFD-VWLOTQADSA-N 449.591 6.107 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1cccc(OC(C)C)c1 170153675 CPKNBCRJFDCCRG-JOCHJYFZSA-N 449.503 5.217 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@@H]2c2cccs2)cc1 170156987 BLLIEZPUKAIERK-JOCHJYFZSA-N 433.529 5.492 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@@H]1c1ccccc1 170227969 TYUHTRHBQLMFEQ-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(Cl)cc1 170236795 IUWCJEYQGGCERD-OAQYLSRUSA-N 427.928 5.426 30 10 IKEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(C4CCCCC4)[C@@H]3c3ccccc3F)ccc2O1 170251730 SCIISRPDDRVJTJ-IQMFZBJNSA-N 435.495 5.060 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1c[nH]c2ccccc12 170255783 WPXHIQFRDDWOCU-HSZRJFAPSA-N 430.548 5.762 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cc4cc(Cl)ccc4o3)=C(O)C(=O)N2C2CCCC2)cc1 170268731 FYBULWDZALKZSY-QHCPKHFHSA-N 449.934 6.170 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2C)cc1C(C)C 170275397 IYCZIGRKIVSMHU-RUZDIDTESA-N 447.575 6.038 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccc(C)o2)cc1C 170305627 BUMXYEZRAIPVDP-XMMPIXPASA-N 445.515 5.777 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1CCc1ccc(Cl)cc1 170425199 RQRNHRVQCCPONN-GOSISDBHSA-N 443.977 5.592 30 10 IKEE CCCCCCCCCCNC(=O)CCn1c2ccccc2c2nc3ccccc3nc21 170567304 KMZZHKOKULPXLW-UHFFFAOYSA-N 430.596 6.385 30 10 IKEE COc1cc(C=NOC(=O)c2ccc(C(F)(F)F)cc2)ccc1OCc1ccccc1 254306904 ICWJKKALCAAORN-UHFFFAOYSA-N 429.394 5.484 30 10 IKEE C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CCC2=NN=Cc1ccc([N+](=O)[O-])s1 254341012 BKFIBDWKIPCPQA-BUHFHDNQSA-N 441.597 5.755 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3cccc4ccccc34)[C@@H]2c2c[nH]c3ccccc23)c1 526521502 SCCLYKHJVPUYHI-MHZLTWQESA-N 441.490 6.250 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2sccc2C)cc1 526603238 BHZGTMGRTPVBKN-QFIPXVFZSA-N 430.529 5.774 30 10 IKEE COc1ccccc1/C=N\n1c(Cc2ccccc2)nnc1SCc1cc(C)cc(C)c1 526809976 YRDDWFBJBVXATP-PKAZHMFMSA-N 442.588 5.669 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccc(OCC)c(OC)c1 526811124 BSENOJGJWJWXRG-OYKKKHCWSA-N 444.988 5.466 30 10 IKEE CCCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccc(C#N)cc2)cc1Cl 526823437 VKPFJHXISUNDBV-QFEZKATASA-N 439.972 5.329 30 10 IKEE Cc1ccc(Nc2cc(Nc3ccc(NC(=O)c4ccc(C#N)cc4)cc3)nc(C)n2)cc1 585430203 VJJXIDIWNMAHGZ-UHFFFAOYSA-N 434.503 5.705 30 10 IKEE CCCCCCC[C@@H](NC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 693663252 WUPBSJYXWVPLEQ-HSZRJFAPSA-N 431.665 5.494 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 698468138 GYGNSWQOZDEAJL-HOYKHHGWSA-N 429.561 5.276 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 698831476 ZYGTTWACNZJKHC-FDDCHVKYSA-N 433.524 5.249 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@@H](C#N)c1ccc(Br)c(F)c1 698954824 CUUXRVBAXFRENU-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE O=c1c2cc(Br)ccc2nc(/C=C\c2ccccc2)n1N=Cc1ccccc1 1083896608 QULIQMXCWCBNKO-YDRVUYCFSA-N 430.305 5.212 30 10 IKEE C[C@H]1CC(=Nc2ccc(F)cc2)c2cc(F)ccc2N1S(=O)(=O)c1ccc(Cl)cc1 1088694403 WHVYYHSGFGGGRC-AWEZNQCLSA-N 446.906 5.727 30 10 IKEE C=CCOc1ccccc1CN(C(=O)c1ccc2nc(O)n(C)c2c1)c1ccc(C)c(C)c1 1633066516 PQFMXKOLVYOCNO-UHFFFAOYSA-N 441.531 5.308 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(O)cc2)cc1 1862389841 PEVJANFZXQIPOF-QHCPKHFHSA-N 431.488 5.106 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2ccc(C(=O)O)cc2)cc1 1862393226 QIOKKDCAENVRFZ-AOMKIAJQSA-N 435.520 5.104 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc2ccccc12 1862435430 WDPSVYWLQQVQCW-DEOSSOPVSA-N 447.962 6.652 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(C(F)(F)F)cc1 1862444087 SVFRLYSIXIPGSJ-XIKOKIGWSA-N 437.845 5.736 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc(F)c2)cc1 1862474853 XALBRGQWVPXXGE-XMMPIXPASA-N 429.491 5.264 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc3cc[nH]c3c2)c1 1862491311 PRTJJYFCEAYFPJ-XYURVEJXSA-N 442.559 5.942 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccc(C(C)C)cc2)c1 1862491496 VCBUBARVPGCWRF-RUZDIDTESA-N 449.591 5.820 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)c1 1862498240 CTQKJUOQQGJNKV-NRFANRHFSA-N 446.374 6.235 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2cccc(F)c2)ccc1F 1862502307 WLNXTELGRLFCQP-QFIPXVFZSA-N 437.417 5.191 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 1862614725 FMSVTMILCALWKW-DEOSSOPVSA-N 440.543 5.466 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C(C)(C)C)cc3)[C@H]2c2ccccc2)c1 1862615571 NBCIQEBOUHEOKK-RUZDIDTESA-N 439.555 6.071 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(Cl)cc1 1862616301 AQGLLGKHMYXYAV-NRFANRHFSA-N 425.956 5.872 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccccc1 1862621188 KEFZPQUBGCDWPU-WMZHIEFXSA-N 435.520 5.353 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2cccc(C)c2)cc1F 1862638903 MVHJODJQGIDBHC-XDHUDOTRSA-N 445.490 5.482 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc(F)c1 1862650648 ZUVUNJGKBZJTDO-DEOSSOPVSA-N 431.507 6.138 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1CCc1ccccc1 1862713181 JAYAEBYDJOWWEJ-MHZLTWQESA-N 447.534 5.969 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2C(C)C)cc1O 1862727851 NRLHTTIFFRIWSE-XMMPIXPASA-N 443.499 5.055 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1F 1862735566 NYRXCVIMUMQPAG-IVZQSRNASA-N 446.434 5.073 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cccc2ccccc12 1862737037 CCHYZFDWBBYXRP-IVZQSRNASA-N 430.460 5.125 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1Cl 1862743714 DPBWUSXOEUFUOC-VOJFVSQTSA-N 449.290 5.278 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(Cl)cc3)C2=O)cc1C 1862874159 ZIJUBTZCTLGCRN-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE N#Cc1ccc(NC2=C(c3cccs3)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 1863101549 SWNSLYIXUPAKSS-UHFFFAOYSA-N 440.311 5.323 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Br)c(Cl)c2)=C(c2cc(C)ccc2C)C1=O 1863406937 RDXKMDUYUKBETP-UHFFFAOYSA-N 445.744 5.097 30 10 IKEE N#Cc1cc(Br)c(NC(=O)C23CC4CC(CC(C4)C2)C3)c(Br)c1 1866108265 IPCKYVBMRWTSJV-UHFFFAOYSA-N 438.163 5.238 30 10 IKEE Cc1ccccc1-c1nc(Nc2ccc(C#N)cc2)cc(N2CCc3nc[nH]c3[C@H]2C(C)C)n1 1868311523 SOLGLLJUJPSAAA-AREMUKBSSA-N 449.562 5.550 30 10 IKEE COc1cccc(-c2nc(Nc3cccc(C#N)c3)cc(N3CC[C@@H](c4ccco4)C3)n2)c1 1868495791 PDCIPNHQYMEFND-HXUWFJFHSA-N 437.503 5.354 30 10 IKEE CCCCCCCCCCn1cc(OCCCCC)c(=O)cc1CSc1nnnn1C 1870188529 KYOMOQCLWNHASH-UHFFFAOYSA-N 449.665 5.374 30 10 IKEE CCCCCCCCn1cc(OCCCC(=O)OCC)c(=O)cc1CN1CCC(C)CC1 1870368376 NWGWXEOKEULDTI-UHFFFAOYSA-N 448.648 5.163 30 10 IKEE C=CCOc1cn(CCCN(C)C)c(CNc2cc(C(C)C)cc(C(C)C)c2)cc1=O 1870811220 OQKQANWDMVCIBI-UHFFFAOYSA-N 425.617 5.224 30 10 IKEE CCCCCCCOc1cn(Cc2cccc(C)c2)c(CNc2ccccc2CC)cc1=O 1870836524 ZBFNVOARQIOMME-UHFFFAOYSA-N 446.635 6.729 30 10 IKEE CCCCCCCCn1cc(OCCC)c(=O)cc1CNc1cc(Cl)cc(Cl)c1 1871106030 ZQWLPMGKHLJQMW-UHFFFAOYSA-N 439.427 6.917 30 10 IKEE O=C(/C=C/c1ccc(F)cc1)Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O 1871365616 AXBPCGIFXNVGOE-AGWINUGJSA-N 438.813 5.853 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc(F)c(F)c3F)cc(C)c2C1=O 1871370677 YYJTVJNIBBOAOD-GRSHGNNSSA-N 440.373 5.256 30 10 IKEE CCCOc1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccs2)C3=O)cc1 1871378345 HWSKJIHOKDHANZ-DXWSVEMRSA-N 446.524 6.080 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871389408 UJRCLOXUVVSMMR-UCQKPKSFSA-N 442.467 5.454 30 10 IKEE Cc1cc(OC(=O)CCc2cccs2)cc2c1C(=O)/C(=C/c1cn(C)c3ccccc13)O2 1871391637 BRRJZAUZYSTYFB-QRVIBDJDSA-N 443.524 5.703 30 10 IKEE CCCCCCCCCOc1ccc2c(c1)O/C(=C\c1cn(C)c3ccc(OC)cc13)C2=O 1871429900 SOPNTUJSDKLZBU-YUMHPJSZSA-N 447.575 6.933 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1cc(C)c2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 1871440526 UFGGBFOZUPIBBZ-HMSZGEISSA-N 439.511 5.802 30 10 IKEE C=CCN([C@H](CCC)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1ccc(F)cc1 1872219665 ORYOSBLRQYCQDK-JOCHJYFZSA-N 446.588 5.107 30 10 IKEE COc1ccc(CC(=O)[C@H](C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 1872764669 UKRSQCLUHQQDAM-KRWDZBQOSA-N 427.323 5.000 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(C)cc3C(C)(C)C)n2)cc1C 1872765497 QLBQPIXTKSUHMN-IBGZPJMESA-N 448.588 5.988 30 10 IKEE Cc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(F)cc3F)cs2)c(C(C)(C)C)c1 1872766656 JCFZFSRMTSAYOZ-KRWDZBQOSA-N 440.515 5.950 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-c4ccccc4)cc3)n2)cc1Cl 1872785965 YAWWHNIEHAHOPA-HXUWFJFHSA-N 444.943 6.629 30 10 IKEE C=CCc1ccccc1OCc1cccc(C(=O)Nc2ccc(C(=O)OCCOC)cc2)c1 1872833874 FHKIEXBNZUMAIY-UHFFFAOYSA-N 445.515 5.050 30 10 IKEE CCCCCCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CC(C)C)C1=O 1873168967 RZMNFRRUWYUVTA-UHFFFAOYSA-N 449.639 5.780 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(N3CCC(C)CC3)cc1)n2CCCC 1873612905 ODHDAKWNAJWIDF-UHFFFAOYSA-N 446.599 5.318 30 10 IKEE C=CCn1c(C(=O)Nc2cc(C)cc(C)c2)cc2c(NCc3cccc(C)c3)ncnc21 1873617162 BAHIMVAYIBKXAN-UHFFFAOYSA-N 425.536 5.407 30 10 IKEE CSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1cccc2ccccc12 1874205807 UYRWHOZZWKCXJJ-WYMPLXKRSA-N 443.359 5.921 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1c(F)cccc1Cl 1874250067 SWCIUVMEYWFYBX-MFKUBSTISA-N 444.963 5.551 30 10 IKEE CCCOc1ccccc1/C=N/n1c(COc2c(C)ccc(C)c2C)nnc1SCC 1874255217 PVYCQCZWWIADQT-MFKUBSTISA-N 438.597 5.565 30 10 IKEE CCCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1cc(Cl)ccc1O 1874279976 XFLSPTSYXURBPD-YDZHTSKRSA-N 435.380 5.460 30 10 IKEE C=CCSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874331443 NKUXKUQDVSCSTI-OVVQPSECSA-N 432.637 6.138 30 10 IKEE CCCSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874359591 OFUAKQALQOSWDE-VULFUBBASA-N 432.515 5.889 30 10 IKEE COc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2cc(C)ccc2C)cc1 1874416766 GWWXEVYKQAPGNG-WPWMEQJKSA-N 442.588 5.669 30 10 IKEE CN(C)c1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2-c2ccccc2)cc1 1874429385 HVDQDCDIKYNFGB-WGOQTCKBSA-N 447.995 5.839 30 10 IKEE C=C(C)CSc1nnc([C@H]2CCCO2)n1/N=C/c1ccc(OCCCC)c(OCC)c1 1874445951 OWQZMHLCBMOSHI-FBTHGLLTSA-N 444.601 5.258 30 10 IKEE CCOc1cc(/C=N/n2c(S)nnc2C2CCC2)ccc1OCc1ccc(Cl)cc1 1874559550 YJLOMMJJWWQZGQ-ZMOGYAJESA-N 442.972 5.348 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(OCC)cc1 1874577961 NUKOOJNAIGPRDU-UKTHLTGXSA-N 443.971 5.662 30 10 IKEE Cc1ccc(COc2ccc3ccccc3c2/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1 1874581731 DGPLALNOFCDIEY-OUKQBFOZSA-N 436.507 6.395 30 10 IKEE Cc1cccc(NC(=O)COc2ccccc2/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)c1 1874590070 RDFCZHGPDQSLPH-JQIJEIRASA-N 441.571 6.515 30 10 IKEE Cc1ccc(NC(=O)COc2cccc(/C=C/C(=O)c3c(C)cc(C)cc3C)c2)c(C)c1 1874600691 YEGSBKJDGGDPDF-ZRDIBKRKSA-N 427.544 6.142 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1OCc1ccccc1 1874606114 WSLYVLIMZJWKSX-JXMROGBWSA-N 447.745 7.131 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc(Cl)c1OCc1ccccc1 1874607202 WEBBOGUPZQAILP-ZRDIBKRKSA-N 436.935 6.531 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)cc3C)c(Cl)c2)cc1 1874609259 HHSHKNSXIZCPLU-LFYBBSHMSA-N 449.934 5.879 30 10 IKEE Cc1ccccc1COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1Cl 1874615807 RFIMDOFGQMOBRE-UXBLZVDNSA-N 431.746 7.430 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OCCCO)c(OC)c2)cc1 1874624692 QHMGHAKNKORJHZ-OQLLNIDSSA-N 426.553 5.702 30 10 IKEE CCCOc1c(Br)cc(/C=C/C(=O)c2ccc(F)cc2)cc1Br 1874625277 VSQWZKIAWAGSNA-FPYGCLRLSA-N 442.122 6.036 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc(OC)c1OCc1ccc(C)cc1 1874629845 YGJACSFJFZAJFK-VAWYXSNFSA-N 446.543 6.113 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)CCCOc3ccccc3)c2)c1 1874694461 DMFKLAMEGHSPCT-FYWRMAATSA-N 446.499 5.365 30 10 IKEE CCCCC1CCC(C(=O)Oc2cccc(/C=C/C(=O)c3cc(C)c(OC)cc3C)c2)CC1 1874717836 MIWPJWXNSVZQFL-DTQAZKPQSA-N 448.603 7.110 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(-n3cccc3)cc2)cc1)c1cccc([N+](=O)[O-])c1 1875085058 NFSHKBHUZPHDGJ-OVCLIPMQSA-N 438.439 5.501 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)Cc3ccc(C)cc3)c(OC)c2)cc1 1875100178 RSAQBWYDPQFMAB-NTCAYCPXSA-N 444.527 5.619 30 10 IKEE COc1ccc(CC(=O)Oc2c(OC)cc(/C=C/C(=O)c3ccc(C)cc3)cc2OC)cc1 1875133292 NXDGGZOOPGJGII-NTEUORMPSA-N 446.499 5.065 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccc(OC)cc3)cc2)cc1 1875137306 GJQPGWBSHYZBKE-QGMBQPNBSA-N 444.527 5.918 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)c1cccs1 1875142461 FAYYUPMHNXFAQB-DHZHZOJOSA-N 436.504 6.048 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1cncc(C)c1 1875145064 DPXIHQZMIABVQW-VQHVLOKHSA-N 431.488 5.221 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)CCOc3ccccc3)cc2)cc1 1875149062 WMDXFZSAXGJPLG-WOJGMQOQSA-N 428.528 6.255 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(F)c3)cc2)cc1 1875152012 DLCYFFNBGNNEIB-RIYZIHGNSA-N 434.463 5.277 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1cccc(Cl)c1 1875157209 SLTBHMQXRHMRBG-NTUHNPAUSA-N 434.919 6.587 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3)c([N+](=O)[O-])c2)c1C 1875169649 WCVLOJSCDYFMFR-ZRDIBKRKSA-N 443.499 5.873 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cc(Cl)c(OC(C)=O)c(OCC)c2)c1 1875172218 KBJBZGUCDLWIBU-CSKARUKUSA-N 432.900 5.358 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3[N+](=O)[O-])c(Cl)c2)cc1C 1875175557 VSPVBJNTUAISHM-DHZHZOJOSA-N 449.890 5.909 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1ccc(Br)cc1C(F)(F)F 1922110999 NFOBXJDEUXIQHM-HXUWFJFHSA-N 442.319 6.282 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](NC(=O)OC(C)(C)C)C1=CCC=CC1 1949760148 YCEQKDCFQSDSTR-DNQXCXABSA-N 426.601 5.297 30 10 IKEE C#Cc1ccccc1[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C(=O)O 1952221546 DWSXFMIIMDEMFP-RUZDIDTESA-N 439.511 5.359 30 10 IKEE CC[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(C)cc1 2014644788 IURUTLLDGPYIJC-CYFREDJKSA-N 429.561 5.418 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)[C@H]1C1CC1 2014663789 FSCAPYMCVSGXHK-DVECYGJZSA-N 427.545 5.110 30 10 IKEE CC#CCCCC[C@@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2019511531 XTOKIHYTKZIZNR-QPTUXGOLSA-N 430.633 5.437 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@]1(C)CCCN1C(=O)OC(C)(C)C 2020804074 MEDWOZRJMALTLH-CYFREDJKSA-N 429.561 5.418 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2031998683 FJDJOZZVNFMJEZ-OBWXTZQISA-N 447.551 5.495 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCC[C@@H]2CNC(=O)OC(C)(C)C)c1 2032225065 PRPIDEWNDDIFFG-MZNJEOGPSA-N 445.560 5.024 30 10 IKEE CCN[C@H](CC#CC1CCCCC1)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2032498790 ACVGKBNROODQTE-SDUSCBPUSA-N 442.644 5.437 30 10 IKEE O=C1C(=Cc2cccc(F)c2)CC2(CC1=Cc1cccc(F)c1)C(=O)Nc1ccccc12 2040807883 CSFOVIUJLCWDPI-UHFFFAOYSA-N 427.450 5.685 30 10 IKEE C=C1C[C@H]1C[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCCC 2040846169 JDVMGDMKFLOWEP-BJKOFHAPSA-N 441.660 5.270 30 10 IKEE C=CCN(CC[C@@H](Cc1cc(Br)ccc1Cl)NC)C(=O)OC(C)(C)C 2047973055 JLBGZHTZRHUILG-INIZCTEOSA-N 431.802 5.046 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCN(C(=O)OC(C)(C)C)C[C@H]2C)cc1 2070601725 CZOCOUMHOQOGFH-CLOONOSVSA-N 443.588 5.666 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)CC[C@@H]1C 2076318234 NYXVZGVWELCXHB-UQBPGWFLSA-N 443.588 5.666 30 10 IKEE Cc1ccc([C@@H](C2CCC2)n2nc(C3(C)CC3)c(C#N)c2I)c(F)c1 2079090991 VIRZBFIUFMPYJK-QGZVFWFLSA-N 449.311 5.248 30 10 IKEE Fc1cc(-c2c(C(F)(F)F)nn3c(Cl)c4c(nc23)CCOC4)cc(C(F)(F)F)c1 2081427747 YHLWIDNIPODPHQ-UHFFFAOYSA-N 439.718 5.299 30 10 IKEE C=CCCCCCCCCCC(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2086283488 WQVBEJSFTUFNGR-UHFFFAOYSA-N 444.660 6.279 30 10 IKEE C=CCN(C[C@H](Cc1ccc(Cl)cc1Br)NCCC)C(=O)OC(C)(C)C 2088509507 JLMRREKSBLYCIA-KRWDZBQOSA-N 445.829 5.436 30 10 IKEE C[C@H](C[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1)C(F)(F)F 2121446080 WVMPERGZQPHKSP-PXAZEXFGSA-N 435.284 6.061 30 10 IKEE CCCCCC#CC[C@H](NC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2139010118 ZSYSXASGESIHPR-NDEPHWFRSA-N 441.615 7.079 30 10 IKEE CC[C@@]1(CNc2cc(Br)cc(F)c2C#N)CCCCN1C(=O)OC(C)(C)C 2163706325 DGYXNKQUPUKTQA-FQEVSTJZSA-N 440.357 5.442 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)C1([C@H]2CCCCO2)CC1 2164393172 CEUGEIWZJSLWFI-ZWKOTPCHSA-N 435.362 5.432 30 10 IKEE CCN(Cc1ccc(Nc2cc(Br)cc(C#N)c2)cc1)C(=O)OC(C)(C)C 2169055917 DXYDRVOAVXTBMS-UHFFFAOYSA-N 430.346 5.821 30 10 IKEE CC(C)(C)[C@@H]1CC=C(C(=O)c2ccc(I)c(Br)c2)CC1 2181648503 UNIWPKCMGWMWAR-CYBMUJFWSA-N 447.154 6.009 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 2213338166 YXUBNUSRMYLIIH-JXQFQVJHSA-N 435.609 5.199 30 10 IKEE CCCCCCC[C@H](N)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229135500 UHPUJGJEZLLCDO-OALUTQOASA-N 427.427 5.573 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)CCCN(CC)C(=O)OC(C)(C)C 2235747313 OWQFEPRYQRZMII-LJQANCHMSA-N 437.422 5.206 30 10 IKEE C=C1CCC(C[C@H](N)[C@@H](Cc2cccc(Br)c2)NC(=O)OC(C)(C)C)CC1 2237400324 WGEVROCBYYXXQA-VQTJNVASSA-N 437.422 5.349 30 10 IKEE C=C(Br)CCOc1c(Br)cc(Cl)cc1CN[C@@H](C)CC 2240222164 MBMUXFJPANSRMD-NSHDSACASA-N 425.592 5.668 30 10 IKEE CC(C)(C)C#CC=CC[C@@H](O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2256688588 WECWDMQQCQUZFQ-KCWPFWIISA-N 441.612 5.187 30 10 IKEE C=CCCCCCCC[C@H](NC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2256692423 ROZGUMGYXYWHBO-DEOSSOPVSA-N 444.660 5.945 30 10 IKEE O=C(C#Cc1ccc(Br)cc1)c1scc(Br)c1Br 2264122442 UEGFOOXTXLHJPM-UHFFFAOYSA-N 448.961 5.270 30 10 IKEE C#CCOc1ccc(C=C2C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cc1OCC 2294599117 VYHOZHZBCVVZES-UHFFFAOYSA-N 429.303 5.210 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@@H](CC(C)C)NC(=O)OC(C)(C)C 2296218557 FRIRYOBESRTCOF-VQTJNVASSA-N 437.422 5.108 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@@H](C(C)C)N(C)C(=O)OC(C)(C)C 2296287887 AFIXHKVGENDHFX-VQTJNVASSA-N 437.422 5.060 30 10 IKEE CCCCN=C(C=C1SN(CC)C(=S)N1c1ccccc1)c1ccc(Cl)cc1 2296369055 OPWCBPGPXAQPKY-UHFFFAOYSA-N 430.042 6.546 30 10 IKEE CCOc1ccc(N2COc3c(cc4c(c3C)OC(=Cc3ccc(OC)cc3)C4=O)C2)cc1 2296592317 LUWYHIVQFNLEST-UHFFFAOYSA-N 443.499 5.375 30 10 IKEE Cc1ccccc1N=C1SC(=CC=Cc2ccc([N+](=O)[O-])o2)C(=O)N1c1ccccc1C 2296826785 RHQRPBLOUIICFI-UHFFFAOYSA-N 445.500 6.169 30 10 IKEE Cc1c(OC(=O)C=Cc2ccccc2)ccc2c1OC(=Cc1cn(C)c3ccccc13)C2=O 2296871980 OVYJDMMALFZLBV-UHFFFAOYSA-N 435.479 5.722 30 10 IKEE Cc1ccc(N=C2NC(=O)C(=Cc3cc(Br)c(N4CCCC4)o3)S2)c(C)c1 2313563416 KUXKWDDZDNSLDX-UHFFFAOYSA-N 446.370 5.151 30 10 IKEE Cc1cccc(N=C2SC(=Cc3cn(C)c4ccccc34)C(=O)N2C2CCCCC2)n1 2314539963 FTQTYXZDICXDRX-UHFFFAOYSA-N 430.577 5.818 30 10 IKEE O=C(O)c1ccccc1C=Nn1c(SCc2ccc(Cl)c(Cl)c2)nnc1C1CC1 2320909332 LLEDEPRBRFGICV-UHFFFAOYSA-N 447.347 5.335 30 10 IKEE CCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1N=Cc1ccc(Cl)c(Cl)c1 2320969140 VGHOBCSOUOBLNV-UHFFFAOYSA-N 448.379 5.069 30 10 IKEE COc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(Cc1ccc(C)cc1)C3 2321958596 GDXDUDIHSLSEFL-UHFFFAOYSA-N 427.500 5.280 30 10 IKEE COc1ccc(OC)c(C=C2Oc3c(ccc4c3CN(CCC3=CCCCC3)CO4)C2=O)c1 2322106724 DOHSGWYQJGJMEZ-UHFFFAOYSA-N 447.531 5.362 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Br)ccc2OCc2ccccc2C)cc1 2322443055 YJQLFRVRRFFEBQ-UHFFFAOYSA-N 437.333 6.241 30 10 IKEE Cc1cccc(C=C2Oc3c(cc4c(c3C)OCN(CCCCc3ccccc3)C4)C2=O)c1 2322450153 PKRGWARPUWQQAF-UHFFFAOYSA-N 439.555 6.094 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(Cl)cc2C=CC(=O)c2cccc(Cl)c2)c1 2322527757 GPDVRAJGGSOJFC-UHFFFAOYSA-N 440.326 6.215 30 10 IKEE CN(C)c1ccc(C=C2Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc3C2=O)cc1 2322732898 MABIVMNMEDMKOW-UHFFFAOYSA-N 441.527 5.886 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cc(Br)cc(OC)c2OC)cc1C(C)C 2322801394 ZJVFSBDEUSHAJU-UHFFFAOYSA-N 433.342 5.803 30 10 IKEE COc1ccc(NN=Cc2cc(Br)cc(Br)c2OC)cc1Cl 2322924921 UWNFSOQHKRNAHF-UHFFFAOYSA-N 448.542 5.328 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OCC(=O)Nc1c(C)cccc1C 2323168746 YPLFJGRYXBLEHB-UHFFFAOYSA-N 447.506 5.673 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1OCc1cc(C)ccc1C 2323177960 OYQCITADUOZJML-UHFFFAOYSA-N 430.500 5.558 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1Cl)C2=O 2323222498 GKYGNNYJAFAKRY-UHFFFAOYSA-N 443.257 5.897 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1OCc1cccc(Cl)c1 2323259240 ZWMJKAVWGYXWPR-UHFFFAOYSA-N 434.963 7.057 30 10 IKEE Cc1c(OC(=O)c2ccc(-n3cccc3)cc2)ccc2c1OC(=CC=Cc1ccccc1)C2=O 2323676557 JXGWDDJIYOBNBD-UHFFFAOYSA-N 447.490 6.177 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1)Nc1ccc(F)cc1 2323879718 ZPWBWJOKYINQFH-UHFFFAOYSA-N 444.289 6.046 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCCc3ccccc3)c(OCC)c2)cc1 2323934132 HWUNUZBNUMDDQI-UHFFFAOYSA-N 430.544 6.392 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1OCc1ccc(F)cc1 2324194307 RUWLYPJKYZDSKU-UHFFFAOYSA-N 439.414 5.747 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OCc2ccccc2)c(Cl)c1 2324220662 QSBPJLNCLCOHJV-UHFFFAOYSA-N 434.963 7.121 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc(OC)c1OCC(=C)C 2324234475 NJWOKNVWIQIUHV-UHFFFAOYSA-N 434.576 6.581 30 10 IKEE COc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccc(F)cc4)cc(C)c3C2=O)cc1 2324312710 SJFMUWIFWLDOGA-MRXNPFEDSA-N 447.462 5.165 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4Cl)cc(C)c3C2=O)cc1 2324392486 JAHUIRFKGKHJSE-KRWDZBQOSA-N 447.918 5.979 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2Cl)o1 2324447143 DMKSZCBDFLWYKY-UHFFFAOYSA-N 438.907 6.202 30 10 IKEE COc1ccccc1-c1csc([C@@H](C#N)C(=O)C=Cc2ccc(Cl)cc2Cl)n1 2324455598 SJSXIDFVWRQWLO-INIZCTEOSA-N 429.328 6.015 30 10 IKEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(OC)c(Cl)c3)cc2)o1 2324608252 CXJSIXIKWWQNQL-UHFFFAOYSA-N 426.852 5.203 30 10 IKEE CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2cccc(C)c2)C3=O)c1 2324825833 DHFZLNKLUFQLQA-GOSISDBHSA-N 441.483 5.220 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(c4ccccc4)c4ccccc4)cc(C)c3C2=O)c1 2325216352 NELPDJAUZONYGI-UHFFFAOYSA-N 432.519 7.088 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OC(c3ccccc3)c3ccccc3)c2C)C1=O 2325216606 LITTVNBHNQQDKR-UHFFFAOYSA-N 432.519 7.088 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1cn(C)c2ccccc12 2325521986 HSNCGGPKDDDWNG-UHFFFAOYSA-N 431.609 5.904 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1c(F)cccc1Cl 2325532666 GSWSCIZPVQLHDY-UHFFFAOYSA-N 437.371 6.241 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)CCc3ccccc3)c2)cc1OC 2325702922 ULYBXFPSXWTDTR-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccccc3OC)c2)cc1 2325704167 UIJPDMDLBAZQNK-UHFFFAOYSA-N 430.500 5.310 30 10 IKEE Cc1ccccc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccccc1Cl)C2=O 2325713851 BLSJCNYANYHOHS-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C)c(C)c4)cc(C)c3C2=O)c1 2325738727 DXQRBSABSHBSFC-UHFFFAOYSA-N 427.500 5.554 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OC(=O)C23CC4CC(CC(C4)C2)C3)c1 2325743522 WFZKOVSURCIMLT-UHFFFAOYSA-N 430.544 6.022 30 10 IKEE COc1ccc(C=CC(=O)c2cccc3ccccc23)cc1OC(=O)Cc1ccc(F)cc1 2325748855 WHIQZMXSFRTNMB-UHFFFAOYSA-N 440.470 6.032 30 10 IKEE CSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1c(F)cccc1Cl 2325976062 DVJQAVHEFOREDH-UHFFFAOYSA-N 439.343 5.340 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccc(F)cc1 2326072227 QMIMGILGXAVRHU-UHFFFAOYSA-N 444.963 5.633 30 10 IKEE CCCCOc1ccc(C=Nn2c(CCC)nnc2SCc2ccc(Cl)cc2)cc1 2326358063 CAFGUPLMBWSSSF-UHFFFAOYSA-N 443.016 6.237 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@H](C#N)[C@]12C[C@H](CCN1C(=O)OC(C)(C)C)C2 2326632511 ZTZCBLCUBVXRHS-XKPFWTEKSA-N 445.535 5.249 30 10 IKEE CCSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1ccccc1OC(C)C 2327172226 OKEQUYXCQQVVJL-UHFFFAOYSA-N 438.597 5.380 30 10 IKEE CCCCCCCCNC(=O)C=Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 2327474995 XSSHDOHVXDFMEM-UHFFFAOYSA-N 429.988 6.418 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccccc3Cl)n2N=Cc2cccnc2)cc1 2327611133 XCOGYPDZDWXRFX-UHFFFAOYSA-N 449.967 5.388 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1cccc(OCCC)c1 2328945534 FGYHVNUSETVVTP-UHFFFAOYSA-N 448.636 6.019 30 10 IKEE Fc1ccc(CSc2nnc(COCc3ccccc3)n2N=Cc2cccs2)cc1 2329312388 SWUJCFWDTXPTTC-UHFFFAOYSA-N 438.553 5.370 30 10 IKEE Cc1ccc(O)c(C=Nn2c(Cc3ccc(C)c(C)c3)nnc2SCc2ccccc2)c1 2329423915 BKWUTRDSCXKHPI-UHFFFAOYSA-N 442.588 5.674 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3C)n2N=Cc2cccn2C)c1 2329476612 NPBRSPSVYHDUPD-UHFFFAOYSA-N 429.593 5.193 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3F)n2N=Cc2ccccc2F)cc1 2329701391 GRYOCKHWJBMPHC-UHFFFAOYSA-N 434.515 5.630 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccccc3)n2N=Cc2cccc(F)c2)cc1 2329871062 CZEGWOCVTRVLOX-UHFFFAOYSA-N 432.524 5.479 30 10 IKEE Cc1ccc(CSc2nnc(-c3cccs3)n2N=Cc2ccc([N+](=O)[O-])cc2)cc1 2330530049 GEGZUWGRVCLLHA-UHFFFAOYSA-N 435.534 5.398 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2)ccc1OC(=O)Cc1ccccc1 2330874161 FQRCNKKJDJKTFD-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1 2330881175 KWZUUXANWBFPGS-UHFFFAOYSA-N 439.280 5.632 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3cccc(Br)c3)cc2)cc1C 2330993903 BTCDHXASPAIFEC-UHFFFAOYSA-N 449.344 6.110 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Br)c1OC(=O)c1cccs1 2331175889 PTJSTKOIELRVMQ-UHFFFAOYSA-N 443.318 5.635 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SCCC)nnc2-c2ccco2)cc1OC 2331216159 QBGCQNCETFFSNV-UHFFFAOYSA-N 428.558 5.500 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)CCc1ccccc1C 2331256737 VRPDNTHMGVTEQX-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])c1 2331276411 SBJKOXRADZQAID-UHFFFAOYSA-N 431.444 5.417 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1ccc(Cl)cc1 2331326019 PUEBVUXAKLYGDE-UHFFFAOYSA-N 445.951 5.026 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)c1ccc(C)c(C)c1 2331326967 VQUHOXFPYGNUEF-UHFFFAOYSA-N 428.528 6.434 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1[N+](=O)[O-] 2331412523 FXAZIXIQRJNEOZ-UHFFFAOYSA-N 443.499 6.316 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc([N+](=O)[O-])c1OC(=O)C(C)C 2331500573 XVQFQPZSIOMTFD-UHFFFAOYSA-N 425.481 5.574 30 10 IKEE Oc1ccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C2CCC2)c(O)c1 2331543791 VCJSQUXLACFCPR-UHFFFAOYSA-N 449.363 5.438 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(Cl)c3)cc2)c1 2331818775 SPDUSQGXCIHSGZ-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Cl)cc(Br)c1F 2337103451 VUMOSFMKRMPLKD-NVXWUHKLSA-N 447.776 5.199 30 10 IKEE CC#CCN(C[C@H](NCCC)c1cccc(Cl)c1Br)C(=O)OC(C)(C)C 2337901747 RNNJYRXEOVTNNR-KRWDZBQOSA-N 443.813 5.404 30 10 IKEE COc1ccc([C@H]2c3sc4c(c3CCN2Cc2cccc(C#N)c2)CCCC4)cc1OC 9527721 MEVYVKHPAZZMDA-SANMLTNESA-N 444.600 5.663 30 10 IKEE N#Cc1ccccc1COc1c(Br)cc(Br)cc1Br 11834166 LAILEMMBRTUKSX-UHFFFAOYSA-N 445.936 5.425 30 10 IKEE COc1ccc(/N=C2\S/C(=C/c3ccc(N(C)C)cc3)C(=O)N2c2ccccc2)cc1 13576951 IEXXONXICYJMNB-OBUXZSPNSA-N 429.545 5.570 30 10 IKEE COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2S[C@H]3c2ccccc2)cc1OC 19638833 JZWXBFVEHMKJDS-PPHZAIPVSA-N 443.568 6.364 30 10 IKEE COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(C)c2)c1 21254675 DGMASYICSSTOMJ-HMILPKGGSA-N 440.543 5.992 30 10 IKEE CC(C)COc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(C(C)(C)C)cc2)C3)cc1 21256031 FWQHCRIZJBHFTG-URXFXBBRSA-N 445.603 6.023 30 10 IKEE C=CCOc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCCC)cc1OC 38609793 VYCBEVIIZHESHL-VWLOTQADSA-N 447.535 5.091 30 10 IKEE C=CCOc1ccc(/C=C2\S/C(=N/c3nc(C)cs3)N(C3CCCCC3)C2=O)cc1 39865622 WLVIVOSALIBROR-QJYUKRAPSA-N 439.606 5.953 30 10 IKEE Cc1cc(OCC(=O)OCc2ccccc2)cc2c1C(=O)/C(=C/C=C/c1ccccc1)O2 41432649 OYWBAUHNQRGWIA-HMSZGEISSA-N 426.468 5.290 30 10 IKEE Cc1ccccc1COc1cc(C)c2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 41433134 CIXAZEUEAPNNTK-QRQIAZFYSA-N 432.519 7.166 30 10 IKEE CCNc1ccc(Br)cc(C(=O)/C=C\c2c(Cl)cccc2Cl)c1=O 97474809 PNJIZAARSJFIJX-CLFYSBASSA-N 427.125 5.444 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2ccc(NC(C)=O)cc2)cc1 100153848 HFMNWQMKSTYUSZ-UHFFFAOYSA-N 427.570 5.121 30 10 IKEE CCCCCCCCCCCCn1c(COc2ccc(C(C)C)cc2)nc2ccccc21 102188123 QFTIRGHZRINKEY-UHFFFAOYSA-N 434.668 8.660 30 10 IKEE CCCCCCCCCCCCCCCCCCN/C(C)=C1/C(=O)NC(=O)N(C)C1=O 102404958 GZNBLMZWYPBOKI-DQRAZIAOSA-N 435.653 5.820 30 10 IKEE CCCCCCCCCCCn1c(C)c(C(N)=O)c(-c2ccc(C(=O)OC)cc2)c1CC 102448646 QWXUWWABJIXTIY-UHFFFAOYSA-N 440.628 6.442 30 10 IKEE Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)O/C(=C/c2c(F)cccc2Cl)C3=O)cc1 103023111 BOVQZTNXAHKNPK-CIAFOILYSA-N 444.867 5.171 30 10 IKEE C=CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N/c1cccc2ccccc12 107314644 ZNJYXOZMNQCFHW-QPRJYHLLSA-N 443.597 6.390 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OCC(=O)Nc1ccccc1C 164031319 JKTCGXPEGVTALD-OQLLNIDSSA-N 443.543 6.041 30 10 IKEE CN(C)c1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccccc2)cc1 169953335 UQPDKVULIGKZRV-JOCHJYFZSA-N 432.907 5.189 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccc(O)cc2)cc1 169959303 FPARPYWOXYWNQO-XMMPIXPASA-N 427.500 5.354 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(C)c2)c1 169966509 QJJNZBVDQKRSRN-HSZRJFAPSA-N 431.463 5.316 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccccc2)cc1 169975045 WFDDYJCFEZCASG-SANMLTNESA-N 439.555 6.086 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@H]2c2ccccn2)cc1 169996384 DTHUZFBFWXEDFG-QFIPXVFZSA-N 432.907 5.389 30 10 IKEE Cn1cc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccco2)c2ccccc21 170084426 FNSIOQKLCVUNKD-QFIPXVFZSA-N 446.890 5.203 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(O)cc1 170134433 WFSCJJHLCGXELI-QHCPKHFHSA-N 445.515 5.370 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCOC(C)C)c1 170139920 WOQJVDNMYGINEU-XMMPIXPASA-N 429.516 5.152 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2cccc(C)c2)cc1 170141974 OBMADUKFUXSZLN-VWLOTQADSA-N 441.527 5.874 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)c(OC)cc3C)[C@H]2c2cccs2)c1 170154085 CQBZYYCWGIHXDT-JOCHJYFZSA-N 449.528 5.165 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cccs1)c1cc2cc(Cl)ccc2o1 170166738 GGMLRESLPLJINM-LJQANCHMSA-N 427.909 5.669 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccncc2)cc1C 170205646 UHUMUUCXHQSJGE-XMMPIXPASA-N 442.515 5.188 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1ccncc1)c1ccc2ccccc2c1 170206756 GROMBRPVGLQCTD-HSZRJFAPSA-N 442.421 5.296 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccc2)cc1 170222785 IJVZUWYLJOGHKB-QHCPKHFHSA-N 431.463 5.397 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccccc2)c1C 170225992 IQQMDXFVYLHOKW-CRICUBBOSA-N 439.511 5.410 30 10 IKEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4cc(F)ccc4F)[C@H]3c3ccccc3)ccc2O1 170229662 JRKDONAMSQRNPX-PSLXWICFSA-N 447.437 5.071 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2c(OC)cccc2OC)[C@H]1c1ccc(Cl)cc1 170236786 PVQOHCHWRZAKSQ-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc(F)cc1)c1c[nH]c2ccccc12 170238116 YGROWCUDXUPCPO-JOCHJYFZSA-N 430.410 5.229 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 170239587 VLYBFRQOWRJIPD-HSZRJFAPSA-N 431.463 5.396 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@@H]1c1ccccc1F 170253150 ULMOBIARJTVQJK-NRFANRHFSA-N 425.500 5.220 30 10 IKEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(Cl)c4)[C@H]3c3ccco3)ccc2O1 170287073 ZCEMTKLITSPMNT-ZSEKCTLFSA-N 435.863 5.039 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc(OCC(C)C)cc3)[C@H]2c2ccco2)c1 170289078 BOVKMLRYRDBUOA-HSZRJFAPSA-N 447.487 5.111 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccc(C)o2)cc1 170304869 OJMMEIYKSIWPSW-QHCPKHFHSA-N 431.488 5.386 30 10 IKEE Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C\C(=O)Nc2ccc(C3(C#N)CCCC3)cc2)o1 206296222 BZTQRQMNVGBSEK-RAXLEYEMSA-N 441.487 6.151 30 10 IKEE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](C(C#N)C#N)CC[C@]4(C)[C@@H]3CC[C@]12C 248235969 CCXNGZZZEMMYFL-UXKWDCBGSA-N 436.728 8.387 30 10 IKEE C=CCN(C[C@@H](NCCC)c1c(F)ccc(Br)c1F)C(=O)OC(C)(C)C 407389980 HOWIUESZHHQYQK-OAHLLOKOSA-N 433.337 5.191 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccc(OC(C)C)c2)cc1 526485291 FBGWMTKTVCHYNG-VWLOTQADSA-N 440.499 5.411 30 10 IKEE Cc1ccc([C@H]2C(c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526605238 PMQIFHJCJGISCO-SANMLTNESA-N 438.527 5.959 30 10 IKEE Cc1[nH]c2ccccc2c1[C@@H]1C(c2ccc(Cl)cc2)=C(O)C(=O)N1c1ccccc1C#N 526607156 SCDNSNGDGVTWCK-XMMPIXPASA-N 439.902 6.059 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Cl)cc2)cc1 526710669 QZJLZHJKTNCDSJ-QHCPKHFHSA-N 447.918 5.912 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1ccc(OC(C)(C)C)cc1 526805647 PMJXBJHZVGQBHY-ONUIUJJFSA-N 436.625 6.281 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1c(OC)ccc2ccccc12 526807989 LSLFFYPXURWZER-QQXSKIMKSA-N 430.577 5.875 30 10 IKEE Clc1ccc(/C=N\n2cnnc2SCc2ccc(Cl)c(Cl)c2)cc1Cl 526815076 TUCOMZKMRYFKSM-HOEBFWFUSA-N 432.163 6.066 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCCC12CCCCC2 698391824 ODGPHPFBFKUPFL-JOCHJYFZSA-N 433.390 6.587 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@H]1[C@H]1CCCCN1C(=O)OC(C)(C)C 698408357 QGZOPPDBXPFTTJ-KSYXXAMZSA-N 449.636 5.874 30 10 IKEE Cc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)cc1Cl 698452282 PVCOWYCUVBFJFD-SFHVURJKSA-N 435.749 6.417 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H]([C@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 698885587 RDCITGJZWPNARS-HJPURHCSSA-N 433.524 5.106 30 10 IKEE CC(C)(C)OC(=O)N1CCC(C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)CC1 698902601 POQNJXFSMMAMGM-UHFFFAOYSA-N 435.952 5.375 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Cl)c1Br)NCC 719502761 IUYWARLALXVSQO-JKSUJKDBSA-N 431.802 5.093 30 10 IKEE C[C@@]12CC[C@@]3(C)[C@@](C)(CC[C@@]4(C)C(=O)/C(=C\c5ccncc5)C[C@]34C)[C@@]1(C)CC[C@H](O)C2 1082488536 GYTNBVPAHRXQRC-XLYMCRKZSA-N 435.652 6.608 30 10 IKEE O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C/c1cc([N+](=O)[O-])ccc1Cl 1083971960 ZQUFEXACWYLTCS-NTUHNPAUSA-N 428.684 5.447 30 10 IKEE Oc1c(Cl)cc(Cl)cc1/C=N/C[C@@H]1CCC[C@H]1/N=C/c1cc(Cl)cc(Cl)c1 1615949039 KSQUOYXSJBOHQJ-MBJUTMHPSA-N 444.189 6.713 30 10 IKEE Cc1nnc(N=C2S/C(=C\C(Cl)=C\c3ccccc3)C(=O)N2c2ccccc2)s1 1772735808 GPKSXRUIGUZCNT-OMCDINJXSA-N 438.965 5.778 30 10 IKEE N#CCc1cc(-c2ccc(OC(F)(F)F)cc2)nc(-c2ccc(OC(F)(F)F)cc2)c1 1848361852 NIAUJIDFIRZHIJ-UHFFFAOYSA-N 438.327 6.279 30 10 IKEE CCCCCCCCn1cc(OCCCCOc2cccc(C)c2)c(=O)cc1C(=O)O 1857891388 UHGMRXDRVIUFDY-UHFFFAOYSA-N 429.557 5.453 30 10 IKEE CCc1ccc(-c2csc(SCC(=O)Nc3sc4c(c3C#N)CCC4)n2)cc1 1860797025 XIWPDDZSHBUWER-UHFFFAOYSA-N 425.604 5.525 30 10 IKEE CCCCCCCCNC(=O)[C@H](NC(=O)Cc1cc(Cl)ccc1SC)[C@@H](C)CC 1860978620 KJAVNATXWJFELZ-HTAPYJJXSA-N 441.081 5.612 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCC)NC(=O)COc1ccc(C)cc1C(C)(C)C 1861625903 KNPAINHZUZPHBG-JOCHJYFZSA-N 432.649 5.433 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(O)cc1)c1ccc(Cl)cc1Cl 1862383608 WJSPADAAYDZRBV-IBGZPJMESA-N 444.270 5.071 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@H]2c2ccccc2)cc1C 1862396373 ANMUOIHOJYBQAV-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@H]2c2ccc(O)cc2)cc1 1862430840 TWYLWAXMPRXSFM-HSZRJFAPSA-N 447.918 5.175 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(CC)cc1 1862431983 STUALCCZSURSKN-QFIPXVFZSA-N 425.956 6.061 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccccc2)c1 1862445019 MMAUESXXEOBEBH-QFIPXVFZSA-N 433.891 5.127 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccc(C)cc2)cc1 1862474723 SMVYALYRBLAIBM-VWLOTQADSA-N 425.528 5.644 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCC2=CCCCC2)c1 1862489520 BZKNYZDZKGHXKY-RUZDIDTESA-N 429.560 6.081 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2cc(Cl)cc(Cl)c2)c1 1862499067 XKUZYOJGEQYHQK-HXUWFJFHSA-N 432.347 5.845 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCc2ccccc2)cc1 1862502413 ZCKJJWBFVIBJHJ-VWLOTQADSA-N 443.518 5.518 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2cccc(F)c2)cc1 1862530736 WYOSPSDRMIJGAC-HSZRJFAPSA-N 449.909 5.820 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cccc(O)c1 1862545437 ZZLKSNQJMRVBDU-XMMPIXPASA-N 433.548 5.430 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(C(C)C)cc1 1862615191 JKERNNXAAHFCOR-XMMPIXPASA-N 433.592 6.486 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccccc1[N+](=O)[O-])c1cccc2ccccc12 1862654740 QVSJYYQACDDRSK-HSZRJFAPSA-N 442.471 5.269 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 1862666398 CSMNHRJHVCFPJV-DEOSSOPVSA-N 448.607 5.247 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc(Cl)c1 1862675382 JIWQBHONQBLTPW-XWRIVVANSA-N 427.903 5.636 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(F)cc1 1862686956 DJTPQRKQCWMIPE-HSZRJFAPSA-N 439.527 5.773 30 10 IKEE N#Cc1ccc(N2C(=O)C(Nc3cccc4ccccc34)=C(c3ccccc3Cl)C2=O)cc1 1863077681 VCGJMFBSERCOAV-UHFFFAOYSA-N 449.897 5.761 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Nc3ccccc3)cc2)=C(c2ccc(F)c(C)c2)C1=O 1863459266 LYJVZPOFIPBFIO-UHFFFAOYSA-N 427.479 5.256 30 10 IKEE CCCCCCCCNC1=C(c2ccc(C)cc2)C(=O)N(Cc2nc3ccccc3[nH]2)C1=O 1863621428 LQIZAOQCIVSXGN-UHFFFAOYSA-N 444.579 5.102 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccccc2)=C(c2ccccc2F)C1=O 1863644933 TZNRXTKGSHFVJF-UHFFFAOYSA-N 436.571 5.836 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3ccc(OC)cc3[C@H]2c2ccccc2)nc(C)n1 1869290671 CWJFPFUHTGMXKC-HHHXNRCGSA-N 426.564 5.124 30 10 IKEE N#Cc1nnn(-c2ccc(Cl)c(Cl)c2)c1NC(=O)c1ccccc1-c1ccccc1 1870146822 JXBFVXHLDVTSFR-UHFFFAOYSA-N 434.286 5.365 30 10 IKEE CCCCCCC(=O)Nc1c(C#N)nnn1-c1ccc(OCc2ccc(Cl)cc2)cc1 1870158223 XCJKXADJOSVMPC-UHFFFAOYSA-N 437.931 5.280 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(C)cc2)c(=O)cc1CSc1ccccc1 1870218072 BWKODZJJICJQME-UHFFFAOYSA-N 449.660 7.389 30 10 IKEE CCCCCCCOc1cn(CCOc2ccc(OC)cc2)c(CSCC)cc1=O 1870259852 MAFSJQZJSCHXMQ-UHFFFAOYSA-N 433.614 5.538 30 10 IKEE C=CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1cc(Cl)cc(Cl)c1 1871251885 AZKQINSFVZZNRL-UHFFFAOYSA-N 440.330 5.404 30 10 IKEE CCCCC[C@@H](CC)N1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(OCC)cc1)C3=O 1871347741 SUQLCOLOBVFQHL-FFAHCDIZSA-N 449.591 6.521 30 10 IKEE COc1cccc(/C=C2\Oc3c(cc4c(c3C)OCN(CCc3ccccc3)C4)C2=O)c1 1871349036 POUZWHWNMOKFCK-OYKKKHCWSA-N 427.500 5.014 30 10 IKEE O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O 1871375207 YXLHTGVRDYIZBY-ONFJSNPYSA-N 437.278 6.228 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc(C)c2C1=O 1871377609 UIGNPTCAXWYPPR-PCAIFWSDSA-N 441.439 5.447 30 10 IKEE Cc1ccc(OCCCCOc2ccc3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1 1871404638 MQXKGBUKFGSPTI-XYGWBWBKSA-N 445.471 5.757 30 10 IKEE CCc1cccc(CC)c1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccco1)C2=O 1871409103 XIKPFEGGCSDJQY-PGECNJAHSA-N 445.515 5.735 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCCC(=O)Nc4ccc(C)cc4)cc(C)c3C2=O)cc1 1871430466 BFHQPLPROZMBER-IWIPYMOSSA-N 443.499 5.336 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1cccc(Cl)c1)C2=O 1871453917 YEWDFFUSSINKJI-XKZIYDEJSA-N 433.891 5.591 30 10 IKEE Cc1cc(OCC(=O)Nc2ccccc2C(C)C)cc2c1C(=O)/C(=C/c1ccc(F)cc1)O2 1871456343 ZIHPNDFLYVLUQE-CFRMEGHHSA-N 445.490 5.891 30 10 IKEE C=CCN(CC=C)c1nc(=NCc2cccc(C)c2)nc(Nc2ccc(CCCC)cc2)[nH]1 1871501698 IJPJCFWJGZTKBA-UHFFFAOYSA-N 442.611 5.479 30 10 IKEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1cc(C)ccc1C 1872007691 JQKNPDQBSPFKFT-HXUWFJFHSA-N 442.625 5.195 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(CC)cc1)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 1872090713 VWYCTDLVWYDXMC-VWLOTQADSA-N 448.588 5.114 30 10 IKEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872450647 HSKYHXJCLSVYIC-QHCPKHFHSA-N 442.625 5.411 30 10 IKEE COc1cccc(-c2csc([C@H](C#N)C(=O)/C(=C\c3ccccc3)c3ccccc3)n2)c1 1872762518 PAOQNEPKXQIUFS-GBQPJDALSA-N 436.536 6.236 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(OC)c(OC)c3)n2)cc1 1872770479 VSNZOGDTVYSMAD-XGHQVWIYSA-N 448.544 5.506 30 10 IKEE Cc1ccc(C)c(-c2csc([C@@H](C#N)C(=O)CCCOc3ccc4ccccc4c3)n2)c1 1872771951 GNVZMJBIJXUUCI-DEOSSOPVSA-N 440.568 6.616 30 10 IKEE CC1CCN(c2ccc(NC(=O)c3ccc(COc4ccc(C#N)cc4)cc3)cc2)CC1 1872869508 FNKHKQRDNMXBKW-UHFFFAOYSA-N 425.532 5.626 30 10 IKEE COc1ccccc1CNC(=O)c1cccc(CSc2nc(C)c(C)c(C)c2C#N)c1 1872892986 BBOJGCSQHWTKSG-UHFFFAOYSA-N 431.561 5.109 30 10 IKEE CCCCCCCCCCN1C[C@@H](C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)CC1=O 1873024333 XWBQCRAUUFKWCE-REWPJTCUSA-N 438.616 5.216 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(OCCCCCC)cc2)=C(c2cc(F)cc(F)c2)C1=O 1873315975 ROGDEPDYGAVVSW-UHFFFAOYSA-N 440.490 5.302 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2[C@@H](C)CC)=C(c2cc(Cl)ccc2Cl)C1=O 1873390508 PPWCIBJOKXLENI-AWEZNQCLSA-N 429.347 5.885 30 10 IKEE Cc1cc2oc(=O)c(CC(=O)Nc3cccc(C#N)c3)c(C)c2c2occ(-c3ccccc3)c12 1873866316 BXNYMAZUVAMDHN-UHFFFAOYSA-N 448.478 5.876 30 10 IKEE CSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1c(F)cccc1Cl 1874212270 DVJQAVHEFOREDH-FSJBWODESA-N 439.343 5.340 30 10 IKEE CCCSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1ccc(F)cc1 1874226672 WRTNCEXRYXESEK-PCLIKHOPSA-N 426.561 5.430 30 10 IKEE Cc1cccc(OCCCc2nnc(SCc3ccccc3)n2/N=C/c2cccs2)c1 1874247148 OQKJQRBSSVPVSI-KOEQRZSOSA-N 448.617 5.834 30 10 IKEE CCCCC1CCC(c2nnc(SCC)n2/N=C/c2ccc(Br)cc2)CC1 1874285187 SRTRPCISRMWKRY-HZHRSRAPSA-N 449.462 6.499 30 10 IKEE Cc1ccc(CCc2nnc(SCCc3ccccc3)n2/N=C/c2ccccn2)cc1C 1874329746 CRRYFIYVBKOMGW-TURZUDJPSA-N 441.604 5.292 30 10 IKEE Cc1cccc(/C=N/n2c(Cc3ccccc3F)nnc2SCc2ccc(F)cc2)c1 1874373234 FDOREKBSZPPCPE-JFLMPSFJSA-N 434.515 5.630 30 10 IKEE Cc1cccc(/C=N/n2c(Cc3ccccc3F)nnc2SCc2ccccc2C)c1 1874374864 RAWUJYPXRCAKMZ-JVWAILMASA-N 430.552 5.799 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccc(F)cc2)c1 1874408452 XXNKMLAJQGNSND-JVWAILMASA-N 436.600 6.331 30 10 IKEE Cc1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2ccccc2OC(C)C)cc1 1874420651 WMZPPGMVXVBEGC-MFKUBSTISA-N 448.617 6.277 30 10 IKEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3ccc(F)cc3)nnc2-c2ccccc2)c1 1874426969 KJFBAIIFOWHBLR-CVKSISIWSA-N 445.523 5.006 30 10 IKEE Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1ccccc1 1874427802 BGSBFDZKLCEGNC-WGOQTCKBSA-N 441.560 5.175 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccccc1[N+](=O)[O-] 1874438884 YKNRIRGJINFXKY-YDZHTSKRSA-N 443.960 5.603 30 10 IKEE CC(C)COC(=O)CSc1nnc(CC(C)(C)C)n1/N=C/c1cccc2ccccc12 1874440540 GRZJGRWPJWUUDD-AFUMVMLFSA-N 438.597 5.193 30 10 IKEE Cc1ccc(CSc2nnc(C(F)(F)F)n2/N=C/c2c(Cl)cccc2Cl)cc1 1874458930 NCXWSJVTGXWCSS-PGGKNCGUSA-N 445.297 6.087 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2sccc2C)cc1 1874488144 YRKUUWOBXBWWGC-YDZHTSKRSA-N 441.626 5.022 30 10 IKEE CCCc1nnc(SCCc2ccccc2)n1/N=C/c1ccc(OCC)c(OCC)c1 1874508265 UJXSPBIRQFGZLW-XIEYBQDHSA-N 438.597 5.245 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C(C)C)c1 1874514867 KOCWUOMTXQNAOI-WYMPLXKRSA-N 449.407 6.282 30 10 IKEE CCCOc1c(/C=N/n2c(SCc3cccc(F)c3)nnc2C2CC2)cccc1OC 1874518398 QYDXERMGOVYDSR-AFUMVMLFSA-N 440.544 5.267 30 10 IKEE O=[N+]([O-])c1cccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CC2)c1 1874522683 GHSCVDGNGWZQQY-LSHDLFTRSA-N 448.335 5.545 30 10 IKEE COc1c(Br)cc(Br)cc1/C=C/C(=O)c1ccc2ccccc2c1 1874571490 QCCRFYLIROFGPJ-CMDGGOBGSA-N 446.138 6.270 30 10 IKEE CCN(CC)C(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(OC)c(C)c1 1874573759 CYLQETXKVOLGAE-BUHFOSPRSA-N 431.532 5.300 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OC)c1OCc1cccc(F)c1 1874592304 IPCOWQFMBFXJHZ-PKNBQFBNSA-N 426.871 5.971 30 10 IKEE CCc1ccc(NC(=O)COc2cccc(/C=C/C(=O)c3cccc4ccccc34)c2)cc1 1874597240 AXYNEIJANZQRHG-OBGWFSINSA-N 435.523 6.316 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3c(F)cccc3Cl)c(OC)c2)cc1C 1874608038 TUZSCUCXZYJKMI-JXMROGBWSA-N 440.898 6.280 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OCc1cccc(Cl)c1 1874621381 UTYGQZDZILBILB-RMKNXTFCSA-N 436.891 5.943 30 10 IKEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3cc(C(C)C)c(OC)cc3C)cc2)o1 1874627751 UQKCXYMXZMVKRW-XYOKQWHBSA-N 448.515 5.982 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OCC(=O)Nc2cc(C)cc(C)c2)cc1 1874629841 YCIJTIMRUZKDIG-DHZHZOJOSA-N 443.543 5.842 30 10 IKEE CCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(C)c1 1874685289 JRRUREWXVQOYHN-VWLOTQADSA-N 433.596 5.893 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1OC(=O)C(F)(F)F 1874692216 VBEGRPSJFLJYNJ-NTUHNPAUSA-N 426.390 5.726 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)C34CC5CC(CC(C5)C3)C4)c2)c1 1874694710 QEMLBCPYCSLEPP-SOFGYWHQSA-N 446.543 5.722 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1)c1ccc2ccccc2c1 1875094866 MGIXEQNQUWNXAQ-XMHGGMMESA-N 428.487 7.108 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1 1875100616 IZWVWPZDBAUZTD-NTUHNPAUSA-N 449.890 5.855 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3OC)c(OC)c2)cc1 1875107851 MNXKUDJNPMRBIY-GHRIWEEISA-N 444.527 6.162 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl 1875116445 BRIQQOGKBNNKED-QDEBKDIKSA-N 439.826 5.432 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCOc3ccccc3)c(Cl)c2)c(C)c1 1875131745 LZFOLESSTKTQEP-FMIVXFBMSA-N 434.919 6.227 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)COc2cccc(C)c2C)cc1 1875143771 PVDMVBBARVMQEZ-SDNWHVSQSA-N 430.500 5.501 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccn3)c([N+](=O)[O-])c2)cc1 1875148514 PAWCXNURRIAJLK-NTUHNPAUSA-N 430.460 5.403 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(OC)c1OC(=O)c1ccccc1 1875154066 MIWHKSFWNCWIEM-FOCLMDBBSA-N 438.479 5.972 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)c1ccccc1 1875166919 UYVWTJUZPRQWMS-SDNWHVSQSA-N 430.500 5.826 30 10 IKEE CCCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1OC 1875169210 FMVJOYUMJFNRNC-ZHACJKMWSA-N 426.509 5.321 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1ccc(F)c(F)c1 1875176902 QLOLDEIMLFKENN-IZZDOVSWSA-N 436.454 6.096 30 10 IKEE CCCCCCC[C@@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](F)C(=O)O 1927472530 OFEMWOADDLGDME-ZEQKJWHPSA-N 441.543 6.067 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1945530086 ZAXJINFNUXBOQM-LZQZEXGQSA-N 449.979 5.619 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1(C)C 2013409365 YCXNWEDLMALTPM-UZUQRXQVSA-N 433.524 5.153 30 10 IKEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1cccc(NC(=O)OC(C)(C)C)c1 2031659266 BKLMCDRCJZUWPU-HXUWFJFHSA-N 446.592 5.177 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)c1 2032001614 WUUUHWJDQGECAW-CEYNDMKZSA-N 443.588 5.664 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@H]2CCCCN2C(=O)OC(C)(C)C)cc1 2032407089 YIIUTZZWVRSPAY-UXHICEINSA-N 445.560 5.118 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H]1C[C@@H](C(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2038747253 UXFBYLGFIWAOBV-SMIHKQSGSA-N 444.660 5.657 30 10 IKEE C[C@@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)[C@H](OCc2ccccc2)C1 2043772323 ISJXKSBTCUSRTH-GVCORALISA-N 438.543 6.235 30 10 IKEE N[C@@H](CC#CC1CC1)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071343673 FYILVRCTCATNFU-LBNVMWSVSA-N 427.544 5.009 30 10 IKEE Cc1ccc([C@H](C2CCC2)n2nc(C3(C)CC3)c(C#N)c2I)cc1 2079024833 IFZFFXZJWRVZLV-KRWDZBQOSA-N 431.321 5.109 30 10 IKEE Fc1cccc(C(F)(F)F)c1Cn1nc(C2CC2)c(C(F)(F)F)c1Br 2079807488 DQCIOLRDSDJHKX-UHFFFAOYSA-N 431.149 5.748 30 10 IKEE Fc1ccc(-n2nc(C3CCC3)c(C(F)(F)F)c2Br)c(C(F)(F)F)c1 2079828923 VQONBOYHJIEXMU-UHFFFAOYSA-N 431.149 6.079 30 10 IKEE COc1ccc(C(F)(F)F)cc1-c1c(C2CCCCC2)nn2c(Cl)c(C#N)cnc12 2081467312 DWVDOWCCGHDFIH-UHFFFAOYSA-N 434.849 5.996 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1nc(CCC)[nH]c1Br 2143951217 KPKUUIPDCPMUOZ-GDBMZVCRSA-N 443.430 5.025 30 10 IKEE CCCN(C[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(C#N)c(Br)c1F 2174813412 VVBIHZOGIIEROQ-OAHLLOKOSA-N 440.357 5.076 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)C1 2215216800 JCALBOHKFGJCMU-QHCPKHFHSA-N 447.963 5.375 30 10 IKEE C=CCCCCCCC[C@@H](CCCN(Cc1ccccc1)C(=O)OC(C)(C)C)NCCC 2220080975 AHIMTLADLQUTDX-SANMLTNESA-N 444.704 7.489 30 10 IKEE C#CCN(C[C@H](NCCC)c1ccc(Br)cc1Cl)C(=O)OC(C)(C)C 2222751154 ISTQEJPWOBOIOB-KRWDZBQOSA-N 429.786 5.014 30 10 IKEE C=C([C@H](NC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)C(C)(C)C 2229112984 FGADKHQVDJMENJ-ROUUACIJSA-N 425.411 5.075 30 10 IKEE C=CC1(C[C@H](NC)[C@H](Cc2cccc(Br)c2)NC(=O)OC(C)(C)C)CCC1 2237409806 QQYTVKQEOHDKFA-OALUTQOASA-N 437.422 5.219 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)c1c(C)sc(C)c1Br 2275122794 FRUXBGMCZMQKTF-FQEVSTJZSA-N 439.371 5.433 30 10 IKEE C=C([C@@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(C)(C)C 2276573913 ZJADBVDLKCCUKL-MUUNZHRXSA-N 445.603 6.463 30 10 IKEE C=CCC1([C@@H](NCC)c2cc(F)cc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2288355749 QECCQHLXOCWXGE-KRWDZBQOSA-N 445.348 5.191 30 10 IKEE CCCOc1ccc2ccccc2c1C=C1SC(=Nc2ccccc2CC)N(CC)C1=O 2293744203 UCDIRXNTFIAGTA-UHFFFAOYSA-N 444.600 6.815 30 10 IKEE Cc1cc(Cl)cc([C@@H](N)C#Cc2cccc(Br)c2)c1NC(=O)OC(C)(C)C 2296282610 YMWMOJFNLAGDDM-SFHVURJKSA-N 449.776 5.809 30 10 IKEE COc1cccc(C=C2SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)c1OC 2296977146 RBRZIZZMGSUBAI-UHFFFAOYSA-N 444.556 6.129 30 10 IKEE CC[C@@]1(C)N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2315232246 SQVOUZAEHKCVJQ-RPWUZVMVSA-N 447.551 5.639 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Cl)cc(Br)c1F 2315459031 SRTBOOKMGAAGJM-GDBMZVCRSA-N 435.765 5.362 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CC2)cc1 2320858294 LYHGZZDGSCWOGO-UHFFFAOYSA-N 440.016 5.830 30 10 IKEE Clc1ccc(CSc2nnc(C3CC3)n2N=Cc2ccc(Cl)c(Cl)c2)cc1 2320880730 MCMVSPCKLLBKKP-UHFFFAOYSA-N 437.783 6.290 30 10 IKEE Cc1c(OCc2c(Cl)cccc2Cl)ccc2c1OC(=Cc1ccccc1Cl)C2=O 2321779727 JVIHYXMNAVLKNK-UHFFFAOYSA-N 445.729 7.150 30 10 IKEE Cc1ccsc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(Cc1ccc(Cl)cc1)C3 2321958292 HQJBCNNENMNYQP-UHFFFAOYSA-N 437.948 5.987 30 10 IKEE CCCOC(=O)COc1c(C=CC(=O)c2ccc(-c3ccccc3)cc2)cccc1OC 2322305627 SWPBXGOHLLNRFO-UHFFFAOYSA-N 430.500 5.590 30 10 IKEE O=C(COc1ccccc1C=CC(=O)c1ccc(Cl)cc1Cl)Nc1ccccc1F 2322379294 KTTRMAGHCGKOOY-UHFFFAOYSA-N 444.289 6.046 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2ccc(F)cc2)cc1 2322455979 KWJVHSSBBIICDD-UHFFFAOYSA-N 439.870 5.401 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2c(OCCC)ccc3ccccc23)cc1OCCC 2322502747 QPQIICXCODWLHF-UHFFFAOYSA-N 432.560 7.102 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OCC(=O)N[C@H](C)c1ccccc1 2323153166 DYCQIDMMXMFFBJ-HXUWFJFHSA-N 429.516 5.156 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc(C)c3C2=O)c1 2323331917 BIQQUPYULQSYMX-UHFFFAOYSA-N 429.428 5.355 30 10 IKEE Cc1cc(OC(=O)c2ccc(C(F)(F)F)cc2)cc2c1C(=O)C(=Cc1cccs1)O2 2323352096 PTDBEGZYNMVDMB-UHFFFAOYSA-N 430.403 5.911 30 10 IKEE CCCCCCCCNC(=O)[C@H](NC(=O)C=Cc1ccccc1Cl)c1ccccc1 2323379057 BTVAIWOUELTBFK-XMMPIXPASA-N 426.988 5.687 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1 2323844444 OINKEJOOSDQMCD-UHFFFAOYSA-N 445.515 5.316 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Cl)c1OCc1ccc(F)cc1 2323858588 PAXKVTJHZBRMFF-UHFFFAOYSA-N 438.926 6.970 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2323866168 YSKCFGMUISKZAY-UHFFFAOYSA-N 446.886 6.049 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OCc1ccc(F)cc1 2324080607 LHUPXHHNUAAWBF-UHFFFAOYSA-N 440.854 5.692 30 10 IKEE O=C1C(=Cc2c(Cl)cccc2Cl)Oc2cc(OCCOc3ccccc3)ccc21 2324220028 CAXLFDMWGVLAOI-UHFFFAOYSA-N 427.283 6.067 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(C(C)(C)C)cc1 2325559046 VTHSEOUVJHMHRB-UHFFFAOYSA-N 427.017 6.356 30 10 IKEE O=C(C=Cc1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc(Cl)cc1Cl 2325669481 CDRKKZJQTHWWNB-UHFFFAOYSA-N 426.299 5.793 30 10 IKEE CCC(=O)Oc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)c(Br)cc1OC 2325701528 GMWQYGDNDCWHOA-UHFFFAOYSA-N 443.337 5.548 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1OC(=O)c1cccs1 2325708404 JVVWXAIMJMTRMN-UHFFFAOYSA-N 433.312 6.179 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)CCc3ccc(Cl)cc3)c2)cc1C 2325714946 FXQHJKANXTYLMV-UHFFFAOYSA-N 434.919 6.091 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)C(c3ccccc3)c3ccccc3)c2)cc1 2325738306 PMILDWHUWYABMO-UHFFFAOYSA-N 432.519 6.629 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OC(=O)c2cc3ccccc3n2C)c1 2325743650 QYNUZBFSGCRZPT-UHFFFAOYSA-N 425.484 5.611 30 10 IKEE CCCCCCOc1ccccc1C(=O)C=Nn1cnnc1SCc1ccc(C)cc1 2326287230 PMAYWDLQEWQCLR-UHFFFAOYSA-N 436.581 5.555 30 10 IKEE CCOc1ccc(OCc2nnc(SC)n2N=Cc2c(Cl)cccc2Cl)cc1 2326629181 DWUDPFHZWFGJCU-UHFFFAOYSA-N 437.352 5.167 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2N=Cc2cccc(F)c2)cc1C 2329396982 DCFVLLZYWQTJPU-UHFFFAOYSA-N 448.542 5.938 30 10 IKEE CSc1nnc(-c2ccccc2Cl)n1N=Cc1cccc(OCc2ccccc2)c1 2329520344 BACSKCZOSQKMHF-UHFFFAOYSA-N 434.952 5.782 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccccc3Cl)n2N=Cc2sccc2C)cc1 2329524190 KVFXZPLDYVGWOY-UHFFFAOYSA-N 439.009 6.451 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3F)n2N=Cc2ccccc2C)cc1 2329700689 IPLMSNHBUMDQKP-UHFFFAOYSA-N 430.552 5.799 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2)n1N=Cc1ccc(N(CC)CC)cc1 2329918137 HYAIFVNBIFVSSJ-UHFFFAOYSA-N 435.597 5.254 30 10 IKEE COc1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2[C@H](C)c2ccccc2)cc1 2330071109 IYRRUZLJGXOZPH-HXUWFJFHSA-N 442.588 5.921 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccncc3)c(Br)c2)cc1 2330747883 FWYOHIOYUOSOJJ-UHFFFAOYSA-N 436.305 5.522 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccccc3Cl)cc2)cc1 2330910653 IIXOXVCWFNMTOG-UHFFFAOYSA-N 434.919 6.173 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 2331183675 XATBHHFIAKYYBU-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(-c3ccco3)n2N=Cc2cccc(Cl)c2)cc1 2331188464 HEKZHRURZYTWDG-UHFFFAOYSA-N 439.884 5.274 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1 2331295818 HTZYBGZYDSZNQS-UHFFFAOYSA-N 445.471 5.807 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(C)c3)cc2)cc1OC 2331332007 UMANDDKMGMBFSY-UHFFFAOYSA-N 434.463 5.196 30 10 IKEE Cc1ccccc1CSc1nnc(C(C)(C)C)n1N=Cc1ccc(C(F)(F)F)cc1 2331370294 XKOMHGSIRJDCNX-UHFFFAOYSA-N 432.515 6.077 30 10 IKEE Cc1ccsc1C(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1Cl 2331437817 HGFITKGZFGDJHE-UHFFFAOYSA-N 426.877 5.554 30 10 IKEE CCCOc1ccc(C=Nn2c(CC(C)C)nnc2SCc2ccccc2Cl)cc1 2331456842 LVFDQZBNGZMMOA-UHFFFAOYSA-N 443.016 6.093 30 10 IKEE Cc1ccsc1C=Nn1c(SCC(=O)Nc2c(C)cccc2C)nnc1C1CCC1 2331512101 GLDPAEHXVPXMIR-UHFFFAOYSA-N 439.610 5.145 30 10 IKEE CCCN(CCC)C(=O)CSc1nnc(C2CCC2)n1N=Cc1cccc2ccccc12 2331539347 RRDADTCQBRLCHW-UHFFFAOYSA-N 449.624 5.322 30 10 IKEE COc1cc(C(=O)C=Cc2ccc(OC(=O)CC(C)(C)C)c(OC)c2)c(OC)cc1Cl 2331695018 CFJMVPSNFVBCCD-UHFFFAOYSA-N 446.927 5.604 30 10 IKEE CCC[C@H](CCNC(=O)OC(C)(C)C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339583744 YKOHFCOUBIDIBX-OCKXMSAZSA-N 446.397 5.189 30 10 IKEE C[C@H](N(C)C(=O)OC(C)(C)C)C(C)(C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339604665 SJCBHGQGKWVDRT-ZWKQNVPVSA-N 446.397 5.139 30 10 IKEE CN(C)c1ccc(-c2nc3cc(/N=C/c4cc(Cl)cc([N+](=O)[O-])c4O)ccc3o2)cc1 1922561 ITXPQANQKUWNHD-WYMPLXKRSA-N 436.855 5.579 30 10 IKEE O=C(/C=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccc(Br)cc1 28287412 JMOTYBXNZIRJTM-PKNBQFBNSA-N 432.111 6.368 30 10 IKEE CCCN1C(=O)/C(=C\c2cccc(OCC)c2O)S/C1=N/c1ccc(OCC)cc1 33293793 ZDCKDNINEZLETI-WYPBWKFOSA-N 426.538 5.204 30 10 IKEE O=C1/C(=C/c2cccc(Cl)c2Cl)Oc2cc(OCc3ccccc3Cl)ccc21 33513944 VFFZELODYDDBPT-JMIUGGIZSA-N 431.702 6.842 30 10 IKEE CC[C@@H]1CS/C(=N\c2ccc(C(=O)/C=C\c3ccc(Oc4ccccc4)cc3)cc2)N1 33827961 QFFSNQJKVMTZBJ-SYEXPRJDSA-N 428.557 6.478 30 10 IKEE CCOc1ccc(/N=C2\Sc3nc4c(C)cccc4cc3CN2C2CCCCC2)cc1 33938562 JUZCJUQFXHJUHO-RQZHXJHFSA-N 431.605 6.870 30 10 IKEE C[C@@H]1CCc2c(C#N)c(NC(=O)COc3ccc(C(C)(C)C)cc3)sc(=S)c2C1 41014550 CGVDQNFZKUWVRN-CQSZACIVSA-N 426.607 5.789 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(C(C)C)cc1)C3=O)CN(Cc1cccs1)CO2 41587209 ZCNOCOJPMWNZDL-KSEXSDGBSA-N 431.557 6.148 30 10 IKEE CC(/C=C1\S/C(=N/N=C\c2ccccc2F)N(Cc2ccco2)C1=O)=C\c1ccccc1 47138927 GKGGPHXJSSIQFI-MLUFDKFPSA-N 445.519 5.872 30 10 IKEE C[C@H](Oc1ccc(/C=C2/S/C(=N/c3ccccc3)N(c3ccccc3)C2=O)cc1)C(=O)O 59302728 XDMKMXGMKYAWSP-SWGJSLDLSA-N 444.512 5.347 30 10 IKEE C=C(C)COc1ccccc1NC(=O)CNc1cccc(OCCCc2ccccc2)c1 66065250 GCBUTUCBGJNUQY-UHFFFAOYSA-N 430.548 5.704 30 10 IKEE O=C(NCc1ccco1)c1c(/N=C/c2ccc(Br)cc2)sc2c1CCCC2 100055974 BAMSHMXSVSASMK-WYMPLXKRSA-N 443.366 5.663 30 10 IKEE CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)S/C1=N/c1nc(-c2ccccc2)cs1 101130394 MMGSTRJSSDRTEA-YVQDBNNVSA-N 435.530 5.163 30 10 IKEE Cc1nc(N2C(=O)C(=O)/C(=C(\O)c3ccc(F)cc3)[C@@H]2c2cccc(Cl)c2)sc1C 102904266 OGZVJXQLZSJEIL-VZCCSQPZSA-N 442.899 5.179 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1ccc(C(C)(C)C)cc1 138199732 LCDVUEHRXMRWMT-MSXFZWOLSA-N 433.408 6.365 30 10 IKEE CSc1nnc(Cc2ccccc2)n1/N=C\c1cc(Cl)c(OCC(C)C)c(Cl)c1 169916188 PQDCKIVJAVHIPP-MSXFZWOLSA-N 449.407 5.815 30 10 IKEE O=C1CCCC2=C1[C@H](c1cccc(OCc3ccc(Cl)c(Cl)c3)c1)NC(=S)N2 169938929 JYSDXKSJDKJWOS-FQEVSTJZSA-N 433.360 5.098 30 10 IKEE Cc1ccc(-c2csc(N/N=C\c3cc(Cl)c(OC(C)C)c(Cl)c3)n2)c(C)c1 169942068 BDZMRLUJIKJQIC-VROXFSQNSA-N 434.392 6.967 30 10 IKEE COc1cc(/C=N\Nc2nc(-c3ccccc3)c(C)s2)cc([N+](=O)[O-])c1OC(C)C 169943269 QVGCRZSULGCSLS-UUYOSTAYSA-N 426.498 5.269 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2cccc(C)c2)c1 169966514 SHZDQCUUKMCXCQ-XMMPIXPASA-N 445.490 5.624 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccncc2)c1 170014854 SYXXNAKZXKIPBO-QHCPKHFHSA-N 440.455 5.009 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2ccc(C)cc2)cc1 170029210 ZYSJJUJGCLBLAT-XMMPIXPASA-N 443.499 5.185 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2cccc3ccccc23)cc1 170045934 JCLUPMPDGSOSAM-XMMPIXPASA-N 429.516 5.017 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccc(C)o2)c1 170099590 JWSQOUAITGUHGQ-QFIPXVFZSA-N 435.451 5.217 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(C)o2)c1 170102490 RULCCNFDBRQAOE-QHCPKHFHSA-N 443.455 5.121 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(N(C)C)cc1 170129556 LIWJGXJUFKYZMG-OAQYLSRUSA-N 426.944 5.175 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccccn2)cc1 170171017 XDIAMKKEXKLRFK-RUZDIDTESA-N 434.495 5.580 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2cccnc2)c1 170182899 JUEIBZINTMYHDW-XMMPIXPASA-N 436.467 5.026 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccccc2)c(C)c1 170225713 QKRDLJXJTLCHFA-XMMPIXPASA-N 427.500 5.403 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1ccc(F)cc1)c1ccc2ccccc2c1 170239321 ONNSESODUYUFLI-DEOSSOPVSA-N 439.442 5.467 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccc(F)cc1 170240056 IWGVCNMLGKSZKQ-QHCPKHFHSA-N 426.447 5.398 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2cccc(O)c2)c1 170257716 QBOXQAZHZIYCSA-HSZRJFAPSA-N 447.462 5.103 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccco2)cc1C 170285024 UCRJEITXIREDLG-HSZRJFAPSA-N 431.488 5.467 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2ccc(C)o2)cc1 170300838 PQBGQULEWDKBGP-DEOSSOPVSA-N 443.499 5.258 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cccc(OC)c2)c1 170409370 MPOZNMHYSFBPES-JOCHJYFZSA-N 449.528 5.328 30 10 IKEE CN(C)c1ccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1 170444840 MCQNHEAJLRHMGV-LJQANCHMSA-N 446.469 5.287 30 10 IKEE CN1C/C(=C\c2ccccc2C(F)(F)F)C(=O)/C(=C/c2ccccc2C(F)(F)F)C1 220631973 GIGPCIPTGZBQOB-OTYYAQKOSA-N 425.372 5.706 30 10 IKEE CSC1=NC(=Nc2cccc(C)c2)C2(CCCC2)N1c1ccc(Br)cc1 252625536 QMFPWFXXGAFWBE-UHFFFAOYSA-N 428.399 6.340 30 10 IKEE CCN(CC)c1ccc(C=NNc2ncnc3sc4c(c23)C[C@@H](C(C)(C)CC)CC4)cc1 254708062 TZKRCBPRLXRXGF-IBGZPJMESA-N 449.668 6.525 30 10 IKEE Cc1ccc(N=C2S/C(=C3/C(=O)Nc4ccccc43)C(=O)N2c2ccc(C)cc2)cc1 254819359 IZYQENPJHGQEQI-SNWRPHOWSA-N 425.513 5.434 30 10 IKEE C/C=C/C=C/C(=O)Nc1cccc(/C=C\C(=O)c2cccc(NC(=O)/C=C/C=C/C)c2)c1 254868073 QPTGFYCJPWPMKS-VBQWHZLMSA-N 426.516 5.724 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 526514099 BSJYKSVIDUEMHD-NRFANRHFSA-N 431.835 5.177 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(OC)cc2)cc1 526603653 GMTJGYWQPLKBIC-VWLOTQADSA-N 440.499 5.413 30 10 IKEE COc1cc(C)c(C)cc1S(=O)(=O)N(Cc1cccc(C#N)c1)c1ccc(Cl)cc1 586218150 PNZMEMUMVLQRAB-UHFFFAOYSA-N 440.952 5.233 30 10 IKEE COc1ccccc1N(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586243465 OSXYZGMZLZHPFB-UHFFFAOYSA-N 447.343 5.269 30 10 IKEE C#CCCCCC[C@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 686705495 ZENAJUGOWXJZAS-NHTMILBNSA-N 430.633 5.437 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 698823850 CIFNFOPVUFJNJP-MWTRTKDXSA-N 449.979 5.621 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@]1(C#N)CCc2c(Br)cccc21 698900017 FMHNIENBKACLMQ-NRFANRHFSA-N 447.760 6.209 30 10 IKEE 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)c1ccc(F)cc1 710715946 JBXUYMKLLLDYDZ-JTFSCDOYSA-N 445.535 5.105 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@@H]3C[C@@H](CN3Cc3ccccc3)C2)cc1 716621665 RZMJKFYVDJWXRI-RWCIVJTCSA-N 431.580 5.683 30 10 IKEE O=C1NC(=Nc2ccccc2)S/C1=C/c1cc(N=Nc2ccccc2Cl)ccc1O 1084027234 KQJVRDNZUUHOOF-ZCFCTQENSA-N 434.908 6.353 30 10 IKEE CCc1cccc(C)c1-n1c(C)cc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)c1C 1084294067 UVQLNQVTPOSERG-HZHRSRAPSA-N 445.588 5.865 30 10 IKEE COc1ccc(-c2nc(N=Cc3ccc([N+](=O)[O-])cc3)sc2-c2ccc(OC)cc2)cc1 1084343196 YOHAQZIWXRYNJN-UHFFFAOYSA-N 445.500 6.153 30 10 IKEE O=C(O)c1ccc(/C=C2/SC(=Nc3cccnc3Cl)N(c3ccccc3)C2=O)cc1 1772733048 JGSLHNNLEZYSFN-RIHJCCTQSA-N 435.892 5.242 30 10 IKEE CCN1C(=O)/C(=C(\C)c2ccc(Br)cc2)SC1=Nc1cccc(C(=O)O)c1 1772736703 NOKOBAAQCDOIFR-OYBLBNEUSA-N 445.338 5.161 30 10 IKEE O=C1/C(=C/c2cccs2)SC(=NN=Cc2ccc(Cl)cc2)N1Cc1ccco1 1772758330 RPMGJBOJZVEQRM-VLNHPUBZSA-N 427.938 5.501 30 10 IKEE Cc1cccc(N=C2S[C@@H](CC(=O)c3cc(C)ccc3C)C(=O)N2c2cccc(C)c2)c1 1772759884 CYQUEOUDRYNYSY-VWLOTQADSA-N 442.584 6.329 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)c1ccc2nc(CC(C)C)[nH]c2c1 1861452141 YTROIVGXDXWUMF-QFIPXVFZSA-N 442.648 5.527 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1C 1862401611 FTLVDNCQUNDKSH-MZNJEOGPSA-N 445.490 5.482 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(OCC)cc1 1862418560 JPZFSPUKCHIPGA-NRFANRHFSA-N 429.463 5.132 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1cccc(F)c1 1862457199 KPRUGQGSMOLZBL-HXUWFJFHSA-N 435.417 5.402 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(CC)cc1 1862489264 TUPQLZYMYDVZQB-BVAGGSTKSA-N 447.619 6.803 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCC2)cc1 1862497015 ZKMOPRCTCBMELZ-VWLOTQADSA-N 447.575 6.003 30 10 IKEE CCOc1cc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2C2CCCCC2)ccc1O 1862536820 IIONDBXVXCHBMI-DEOSSOPVSA-N 449.547 5.264 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCc2ccc(F)cc2)c1 1862673643 FWQMQLGXLWVDNH-HSZRJFAPSA-N 433.454 5.094 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2C2CC2)cc1 1862693514 MONMMIXZFKFBAK-HSZRJFAPSA-N 435.520 5.005 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@@H]1c1ccccc1)c1ccc2ccccc2c1 1862713360 NIDKUTGYIOOETG-AREMUKBSSA-N 437.539 6.309 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862718949 GEAOVMOHDAVUQR-DEOSSOPVSA-N 425.528 5.902 30 10 IKEE CCCCc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(F)cc3)C2=O)cc1 1862756102 PALUFWXYOBDXMP-UHFFFAOYSA-N 439.490 5.437 30 10 IKEE Cc1ccc(NC2=C(c3ccccc3Cl)C(=O)N(c3ccccc3C#N)C2=O)cc1Cl 1863083925 XWJSEFQTFDNQNO-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE CC(C)(C)c1ccccc1N1C(=O)C(Nc2ccccc2C#N)=C(c2cccs2)C1=O 1863119665 ZPZRPRCNPULZJJ-UHFFFAOYSA-N 427.529 5.314 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(C)c(C)c2)C(=O)N(CCC(C)C)C1=O 1863615476 VGQSQIXAZNPPBS-UHFFFAOYSA-N 426.645 6.160 30 10 IKEE CC[C@@](C)(NC(=O)[C@H](c1ccc(Cl)cc1)C1CCCC1)C(=O)Nc1ccccc1C#N 1867007326 ICTYPBKJOLCRGX-WIOPSUGQSA-N 437.971 5.409 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC(Cc3ccc(C(C)(C)C)cc3)CC2)nc(CC)n1 1869125185 AAOSBCXGKDEQQU-UHFFFAOYSA-N 432.656 5.974 30 10 IKEE CCCCCCCOc1cn(CCC(C)C)c(CN(CC)CCc2ccncc2)cc1=O 1870410813 GYXZKSPCYIHGEF-UHFFFAOYSA-N 441.660 5.703 30 10 IKEE CCCCCCCOc1cn(C[C@@H](O)c2ccc(Cl)cc2)c(CN2CCCC2)cc1=O 1870414417 OSSORABXGHMSNB-XMMPIXPASA-N 447.019 5.180 30 10 IKEE CCCCCCCOc1cn(Cc2ccccn2)c(CN2C[C@H](C)C[C@@H](C)C2)cc1=O 1870414781 ZVWDOQDPDCSBGM-FGZHOGPDSA-N 425.617 5.119 30 10 IKEE CCCCCCCCCCn1cc(OCCO)c(=O)cc1CNc1ccc(OC)cc1C 1870792058 YBGVVTCUWMQYQT-UHFFFAOYSA-N 444.616 5.289 30 10 IKEE C=CCOc1cn(Cc2ccccc2C)c(CNc2ccc(N(CC)CC)cc2C)cc1=O 1870809747 TUKRBURXSYWDGV-UHFFFAOYSA-N 445.607 5.537 30 10 IKEE CCCCCCCOc1cn(Cc2cccnc2)c(CNc2ccc(CC)cc2)cc1=O 1870830113 CTUSLEVDCZYXGA-UHFFFAOYSA-N 433.596 5.815 30 10 IKEE CCCCCCCCCCn1cc(OCCC)c(=O)cc1CNc1ccc(OC)cc1 1871106680 VEBIHFUGNPKEGB-UHFFFAOYSA-N 428.617 6.399 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)cc2Cl)c(=O)cc1CNc1ccc(C)cc1C 1871250225 UAHCUTIVQXOECK-UHFFFAOYSA-N 443.374 6.149 30 10 IKEE CCN(CC)CCN1COc2ccc3c(c2C1)O/C(=C\c1c(Cl)cccc1Cl)C3=O 1871351197 PCRYUXBQXMFTFJ-MTJSOVHGSA-N 447.362 5.103 30 10 IKEE CCc1ccc([C@@H](C)N2COc3cc(C)c4c(c3C2)O/C(=C\c2ccc(F)cc2)C4=O)cc1 1871354032 FHFKWSPQWSBBMF-DBXOKZBGSA-N 443.518 6.226 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc4c3CN([C@H](C)c3ccc(CC)cc3)CO4)C2=O)cc1 1871354707 YTTBENAIFZYZKS-AKALQGJJSA-N 439.555 6.341 30 10 IKEE Cc1c(OC(=O)N2CCOCC2)ccc2c1O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 1871362842 MAPRPJDVKRQHMH-ULJHMMPZSA-N 441.483 5.109 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)c(OC)c1 1871386216 JXDKBVIZZUFYCL-JJFYIABZSA-N 436.847 5.193 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1 1871410888 JTGKCUWHDJUXPU-SDPDQUOZSA-N 427.500 5.580 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OCC(=O)Nc3ccc4ccccc4c3)c2C)C1=O 1871419202 DIMSBWMSVBUSNQ-QQXSKIMKSA-N 449.506 6.090 30 10 IKEE Cc1c(OCc2cccc(Oc3ccccc3)c2)ccc2c1O/C(=C\c1ccncc1)C2=O 1871436528 CUAGFNQNYPJSLM-ONUIUJJFSA-N 435.479 6.378 30 10 IKEE COc1ccc(C)cc1NC(=O)CCOc1cc(C)c2c(c1)O/C(=C\c1cccs1)C2=O 1871446893 RGAIPDHQZITBIN-HMAPJEAMSA-N 449.528 5.397 30 10 IKEE COc1ccc(CCOc2cc(C)c3c(c2)O/C(=C\c2cc(OC)ccc2OC)C3=O)cc1 1871447677 BIMDWDBRXGGQBW-MYYYXRDXSA-N 446.499 5.259 30 10 IKEE COc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2cccs2)C3=O)cc1Cl 1871453111 HCJIQHSHWPPVSS-JAIQZWGSSA-N 441.892 5.044 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)COc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 1871457582 OFBNRHZNEQUVLE-ABVWVXPPSA-N 445.902 5.838 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2Cl)C3=O)c1C 1871459244 NJCSRJLOGAELJQ-QRVIBDJDSA-N 447.918 5.899 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Cl)c(C)c1)[C@H](C)CC)S(=O)(=O)CCCC 1872315966 UYJMZSKXKFKUOD-OXQOHEQNSA-N 429.026 5.010 30 10 IKEE N#C[C@H](C(=O)Cc1c[nH]c2ccccc12)c1nc(-c2ccc(Br)cc2)cs1 1872765152 IPOSLSHCIFZMQR-QGZVFWFLSA-N 436.334 5.473 30 10 IKEE CCCOc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 1872773078 KPISTUUOYCJAGP-QFIPXVFZSA-N 432.589 6.315 30 10 IKEE COc1ccc(/C=C(/C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)c2ccccc2)cc1OC 1872773921 BIGQDWXDIDAJMF-QDDTUJKSSA-N 432.545 5.701 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4nc(C)c(C)nc4c3)n2)cc1F 1872774748 AVGHZDJNQLHLFX-MRXNPFEDSA-N 432.480 5.008 30 10 IKEE COc1ccc(Cl)cc1C(=O)[C@H](C#N)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872787244 FGLRZEMTOZBQJM-AWEZNQCLSA-N 437.735 6.269 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@@H](C#N)C(=O)COc2ccc(Cl)c(C)c2)n1 1872788136 DUFFBOICEWFRRI-INIZCTEOSA-N 447.343 5.689 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H]2CCCC[C@H]2C)=C(c2ccc(Cl)cc2)C1=O 1873138459 RCPJBSINIGDCRY-WIYYLYMNSA-N 431.020 5.949 30 10 IKEE C=CCSc1nnc(NC(=O)CCCOc2ccc(Br)cc2Cl)s1 1873434636 IAUDQNIZAHHWHN-UHFFFAOYSA-N 448.795 5.030 30 10 IKEE C=CCOc1ccccc1OCC(=O)Nc1ccc(-c2nc(-c3ccc(C)s3)no2)cc1 1873445386 JLVMUJYETUKDBF-UHFFFAOYSA-N 447.516 5.356 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccc(N4CCCC4)cc3)c(=O)oc2c1C 1873947404 VHOQGWWIEABWJL-UHFFFAOYSA-N 446.547 5.146 30 10 IKEE Cc1ccccc1CSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccncc1 1874266272 OLGQKUJHPKLWDG-VULFUBBASA-N 449.967 5.388 30 10 IKEE C=CCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccccc1[N+](=O)[O-] 1874270218 KQDAQFXDNUAJIQ-LFVJCYFKSA-N 429.505 5.091 30 10 IKEE Cc1ccccc1CSc1nnc(COc2c(C)cccc2C)n1/N=C/c1cccs1 1874297676 OHJZSMMWBLCOGI-AFUMVMLFSA-N 448.617 6.018 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccc(F)cc3)n2/N=C/c2cccn2C)c1 1874379703 HNVAYACJDGNIJZ-CVKSISIWSA-N 433.556 5.138 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccccc2)n1/N=C/c1ccc(F)cc1F 1874416234 GDRWZKBVOYMCBG-JFLMPSFJSA-N 434.515 5.630 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2-c2cccs2)cc1 1874421416 LHEASYATBPWXFN-AFUMVMLFSA-N 436.581 6.444 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3cccs3)n2/N=C/c2ccccc2Cl)c1 1874422279 DTOBPFNKCKWRMU-ZMOGYAJESA-N 439.009 6.451 30 10 IKEE CCSc1nnc(-c2ccccc2)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874427623 SMLZWKUPWLEDBL-WGOQTCKBSA-N 448.979 6.172 30 10 IKEE Clc1ccc(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2ccncc2)cc1Cl 1874450635 HEBBRAHUSYSTBX-HPMPDSITSA-N 434.352 5.006 30 10 IKEE Oc1cccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2-c2ccco2)c1 1874467878 GSZGTFNCXRYEMX-FOKLQQMPSA-N 445.331 5.725 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2ccccc2C)c1 1874487144 BGDICROBHHOWCY-AFUMVMLFSA-N 435.597 5.015 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(CC(C)C)nnc1SCc1cccc(C)c1 1874489145 CFNBRZSBUMVKHG-JVWAILMASA-N 444.604 6.121 30 10 IKEE CC(C)Cc1nnc(SCc2ccccc2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874489838 NKDRPLAJSXYDQI-WSDLNYQXSA-N 429.933 5.213 30 10 IKEE COCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(Cl)cc1 1874505889 DDEDMIHXXQUSDB-LSFURLLWSA-N 441.771 5.559 30 10 IKEE CC(C)c1nnc(SCc2cccc3ccccc23)n1/N=C/c1cn(C)c2ccccc12 1874515005 MMAZDZSDCFRTAL-JFLMPSFJSA-N 439.588 6.221 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2ccccc2)cc1 1874579678 BCGYMPGOHWKBAS-SAPNQHFASA-N 445.515 5.398 30 10 IKEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-] 1874601406 JXKUGGRLPUYPSN-RIYZIHGNSA-N 444.487 5.063 30 10 IKEE C=C(C)COc1c(Br)cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1OC 1874603715 BBKGJVQWWGFDKW-DHZHZOJOSA-N 441.365 6.188 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1 1874616346 VEDAHNICCIJSAH-BJMVGYQFSA-N 431.746 7.430 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OCC(=O)Nc1ccccc1 1874616878 YDFBJHJUQCHVNV-DTQAZKPQSA-N 441.527 5.646 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2)c(Br)c1)c1ccc2c(c1)OCO2 1874621419 VSGSNVIOVMAKJP-RMKNXTFCSA-N 437.289 5.653 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc(Cl)c2)c([N+](=O)[O-])c1)c1cccc2ccccc12 1874622953 DRLFOQDGSDSWAW-ACCUITESSA-N 443.886 6.877 30 10 IKEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc1Cl 1874626962 FMUBNWGKBQJBLI-VQHVLOKHSA-N 444.955 6.009 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3cc(C(C)(C)C)ccc3C)cc2)o1 1874635755 XHWCDVOMWNVZHX-XNTDXEJSSA-N 446.543 6.537 30 10 IKEE C=CCOc1c(CC=C)cc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1OC 1874637090 INDYLUBKBFQAIE-CMDGGOBGSA-N 433.331 6.200 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1OC(=O)[C@H](C)c1ccccc1 1874692822 ZAWGDNIFPXVTQI-ZRNYNZGJSA-N 436.507 6.454 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)cc1C 1874696126 JUMUCZUXAUEPRG-DHZHZOJOSA-N 431.444 5.336 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3cccc4ccccc34)c2)cc1 1874708040 JPSHQIKZKAUAQG-XMHGGMMESA-N 434.535 7.253 30 10 IKEE Cc1cccc(C)c1OCC(=O)Oc1cccc(/C=C/C(=O)c2cccc3ccccc23)c1 1874708146 ONYBUHNJLXXJGN-WUKNDPDISA-N 436.507 6.337 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)cc3)c(Cl)c2)cc1OC 1875098785 PUUZSXUMWBJROK-IZZDOVSWSA-N 436.891 5.781 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(OC)c1OC(=O)c1ccccc1C 1875104000 AYIDPHDVKYOTBQ-CCEZHUSRSA-N 442.511 5.856 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)cc1)c1ccccc1Cl 1875111470 IZLFWPOIRIXPKZ-HAOIUOIRSA-N 437.322 6.599 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC(=O)Cc1cccs1 1875124923 IWRCTHRBUZIBBS-WEVVVXLNSA-N 428.456 5.469 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)cc2)cc1 1875132099 FSOPDXNBOYOQAE-OVCLIPMQSA-N 430.460 5.085 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2)cc1 1875132593 VSLZGGGHFOMEPR-WUXMJOGZSA-N 426.468 5.257 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1Cl 1875135379 NOCGKTSBTVMRIK-UXBLZVDNSA-N 445.729 7.071 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(F)c3)cc2Cl)cc1 1875153155 SSKJTGSKBFVAQV-XCVCLJGOSA-N 440.854 5.612 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc4ccccc34)cc2)c1 1875154030 KOZNSCAKTWGZEV-NTCAYCPXSA-N 438.479 5.972 30 10 IKEE Cc1cncc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2[N+](=O)[O-])c1 1875156482 CMQGAXDRXNERIC-ONNFQVAWSA-N 430.460 5.537 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)c1ccc(C)cc1 1875161941 OMYJSISAUMHULP-IZZDOVSWSA-N 438.426 5.406 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccco2)c(Cl)c1)c1ccc(Oc2ccccc2)cc1 1875165291 GXAABAVZOLAERR-RIYZIHGNSA-N 444.870 6.841 30 10 IKEE Cc1cc(CC(=O)Oc2ccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)cc2)ccc1F 1875168459 DBPFUKIWQYJJCG-UKTHLTGXSA-N 430.519 6.412 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2cccs2)cc1 1875179737 XXUPBHGZMAHRST-JXMROGBWSA-N 426.921 5.763 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)[C@H]2CCC[C@H]21 1926544840 HSSFCDCDAUQDRF-GLDPYIMESA-N 445.535 5.249 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]2CC(C)(C)CN2C(=O)OC(C)(C)C)cc1 2033721765 ALCDSQQBXXCJML-WOJBJXKFSA-N 443.588 5.664 30 10 IKEE CC(C)(C)OC(=O)N(C[C@H]1CCCO1)[C@H](C#N)c1c(Cl)cccc1Br 2033938339 QOEMRNFRHJGFKJ-IUODEOHRSA-N 429.742 5.083 30 10 IKEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)C1 2034818615 PGRIHTATHQPXDH-FCEKVYKBSA-N 431.668 6.365 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2046018677 KDRFGMIUHBBLLS-TYVMNDOJSA-N 445.535 5.153 30 10 IKEE Cc1ccc([C@H](n2nc(C(C)C)c(/C=N/O)c2I)C(C)(C)C)cc1 2078982974 WWEVRRXMKGKLIM-RYFGYPJOSA-N 439.341 5.363 30 10 IKEE CC(C)c1nn([C@@H](c2ccc(C3CC3)cc2)C2(C)CC2)c(I)c1C#N 2079017160 YMZZBHALYQISNB-IBGZPJMESA-N 445.348 5.750 30 10 IKEE CC(C)(C)c1nn(Cc2ccc(C(F)(F)F)cc2F)c(C(F)(F)F)c1Br 2079141040 WSVLWTHERQZMJM-UHFFFAOYSA-N 447.192 6.168 30 10 IKEE CC1(c2nn(-c3ccc(F)cc3C(F)(F)F)c(Br)c2C(F)(F)F)CC1 2079835943 RAHSQYVAKFRJES-UHFFFAOYSA-N 431.149 5.863 30 10 IKEE C[C@@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)(F)F)c(C=NO)c1Br 2079846733 HTVBGRZWUOXQIY-LURJTMIESA-N 448.136 5.240 30 10 IKEE CC(C)Oc1ccc([C@@H](C2CCC2)n2nc(C(C)(C)C)c(C#N)c2Br)cc1 2080057846 PDWXAVPSVWMLCL-LJQANCHMSA-N 430.390 5.991 30 10 IKEE N#Cc1c(C2CCCCC2)nn2c(Cl)cc(-c3ccc(Br)c(F)c3)nc12 2081395534 YIYTYTUHTDCEJX-UHFFFAOYSA-N 433.712 5.871 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1CCCNc1cc(Br)cc(F)c1C#N 2107445093 UYKSURVVLGGQJJ-AWEZNQCLSA-N 426.330 5.051 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(Cc3ccccc3)C(C)(C)C2)c1 2135149092 GOSSEEXIGJMSIP-MHZLTWQESA-N 449.595 5.774 30 10 IKEE CC(C)(C)OC(=O)N1CCCc2ccc(Nc3ncc(Br)cc3C#N)cc21 2162421106 BFRHXUAQOLTBKJ-UHFFFAOYSA-N 429.318 5.147 30 10 IKEE CC1(C)OB(c2cnc(Oc3cccc4ccsc34)c(Br)c2)OC1(C)C 2172629685 BAXDNEFGVSWFJN-UHFFFAOYSA-N 432.148 5.150 30 10 IKEE CCN(c1cc(Br)ccc1C#N)[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 2174807633 DYXHOOIWHDDTTC-FUHWJXTLSA-N 436.394 5.231 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C1(NC(=O)OC(C)(C)C)CC2(CC(F)C2)C1 2260767274 BUGVWPBCAAKQTH-QRRBKVAWSA-N 446.607 5.303 30 10 IKEE CC(C)(C)C#CC=CC[C@@H](O)c1ccc(Br)cc1I 2268792975 HSQHQXQMYBWOJY-OAHLLOKOSA-N 433.127 5.083 30 10 IKEE C=C(C)CC[C@@H](NCCC)[C@@](C)(O)c1cc(Br)c(Br)s1 2281226842 UIMYSFIWWYDGPM-IUODEOHRSA-N 425.230 5.205 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)c1cc(C)cc(Br)c1F 2292203716 OSCQOJOXWQSGFI-NRFANRHFSA-N 437.305 5.202 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](CCC(=O)C#Cc2ccc(Br)cc2)C1 2296217332 SXTNGPQQROCXOD-PKOBYXMFSA-N 434.374 5.233 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H](CC)CCNC(=O)OC(C)(C)C 2296270741 AQZLWFFCTGGQDM-AZUAARDMSA-N 437.422 5.110 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3cc(OS(=O)(=O)c4ccccc4)ccc3C2=O)cc1 2296631433 LWAFWWKMFBBDIG-UHFFFAOYSA-N 434.513 5.368 30 10 IKEE Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)cc1 2296871434 XKUJLRBSDHYVJV-UHFFFAOYSA-N 448.540 5.676 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)C(=C(O)c4ccc(F)cc4)[C@@H]3c3ccco3)sc2c1 2296932655 FULXJBHGTYQXPN-FQEVSTJZSA-N 448.475 5.217 30 10 IKEE O=C1C(=Cc2cccc3ccccc23)SC(=NCc2ccccc2)N1Cc1ccccc1 2313518550 IQQDJTPGXJRMCK-UHFFFAOYSA-N 434.564 6.513 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2)SC(=NN=Cc2ccccc2)N1N=Cc1ccccc1 2313526831 NROCBNXIRZZCDF-UHFFFAOYSA-N 444.947 5.681 30 10 IKEE Cc1occc1C(=O)Nc1ccc(C(=O)C=Cc2c[nH]nc2-c2cccc([N+](=O)[O-])c2)cc1 2314523036 GQJFJPZYAOHJOH-UHFFFAOYSA-N 442.431 5.035 30 10 IKEE Cc1c(OCC(=O)OC(C)(C)C)ccc2c1OC(=Cc1c(Cl)cccc1Cl)C2=O 2321734652 PXQHRJPGCHJLTA-UHFFFAOYSA-N 435.303 5.639 30 10 IKEE CCN(CC)CCCCN1COc2ccc3c(c2C1)OC(=Cc1ccccc1Cl)C3=O 2322122712 AMFYBAKCNTZTIC-UHFFFAOYSA-N 440.971 5.230 30 10 IKEE COc1ccc(C=C2Oc3c(ccc4c3CN([C@@H]3CCCC[C@H]3C)CO4)C2=O)cc1OC 2322146071 WSRZWJAWDVQEQN-OXQOHEQNSA-N 435.520 5.051 30 10 IKEE C=C(C)COc1ccc2ccccc2c1C=CC(=O)c1ccc(OCCC)c(OCCC)c1 2322502652 BTQMJPOTLKDHPL-UHFFFAOYSA-N 444.571 7.268 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(C)cc2)c1OCC(=O)Nc1ccccc1 2322593417 HGHLWWUIRYKYPW-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE Cc1ccccc1C(=O)Oc1cc(C)c2c(c1)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2322685559 FYDSAFDNSRDYEV-UHFFFAOYSA-N 439.294 6.446 30 10 IKEE C=CCn1c(C(=O)N2CCN(CC=Cc3ccccc3)CC2)c(C)c2cc(C(C)C)ccc21 2322738089 HIOPCVFDUZTGIY-UHFFFAOYSA-N 441.619 5.730 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2ccccc2)c(OCC)c1 2322922671 UXGDMZFVRCYMQM-UHFFFAOYSA-N 432.516 5.968 30 10 IKEE COc1cc(Br)cc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)c1OC 2322974654 HPGZYCSQMAUBIK-UHFFFAOYSA-N 446.124 5.678 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1OCc1cc(C)ccc1C 2323259981 HSKZMOJGXVVNME-UHFFFAOYSA-N 430.544 6.413 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OC(=O)c4cccc([N+](=O)[O-])c4C)c3C)C2=O)c1 2323260792 FFLZGRNWZIYLBO-UHFFFAOYSA-N 445.427 5.056 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)ccc2C1=O 2323302355 UDCFXQWUXODSLI-UHFFFAOYSA-N 441.848 5.454 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCC)NC(=O)C=Cc1ccc(Cl)c(Cl)c1 2323621437 SYLAVIWEMCSDNO-FQEVSTJZSA-N 427.416 5.768 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)cc1 2323829046 PYYUFLBNUINCMN-UHFFFAOYSA-N 429.516 5.616 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(F)c2)C3=O)cc1 2323887435 APLYFPAZYUBMCE-UHFFFAOYSA-N 446.430 5.285 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Cl)c1OCc1ccccc1F 2323960192 DZFUKOJGNANHJH-UHFFFAOYSA-N 428.862 6.410 30 10 IKEE Cc1cc(O)c(CN(C2CCCCC2)C2CCCCC2)c2c1C(=O)C(=Cc1ccccc1)O2 2324044778 OPTMCACJPNAUMC-UHFFFAOYSA-N 445.603 6.784 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 2324055270 FJCJLUFWHNXJOW-UHFFFAOYSA-N 439.382 7.766 30 10 IKEE Cc1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccccc2F)C3=O)c1C 2324499188 MPLLOJYOBRWZPT-GOSISDBHSA-N 445.490 5.773 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(Cl)cc3Cl)n2)cc1 2324499196 NLSKFDFEWNSHCY-GOSISDBHSA-N 443.355 6.405 30 10 IKEE Cc1cccc(OCCOc2ccc3c(c2)OC(=Cc2ccccc2OC(F)F)C3=O)c1 2324527730 WMZCDKOWDRVVQD-UHFFFAOYSA-N 438.426 5.670 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OCc3ccc(C(=O)OC(C)C)cc3)ccc2C1=O 2324602993 NOPMVFGHELLLKQ-UHFFFAOYSA-N 434.513 5.817 30 10 IKEE CCc1ccc(NC(=O)[C@@H](CC)Oc2ccc3c(c2)OC(=Cc2ccc(C)cc2)C3=O)cc1 2324816692 MYUKMGNVHRPKHF-XMMPIXPASA-N 441.527 5.970 30 10 IKEE Fc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2Cl)cc1 2325490575 HGYWHZCWOOKNGN-UHFFFAOYSA-N 436.943 5.836 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(OC)cc1OC 2325555975 JMHCXJGOMCCVGG-UHFFFAOYSA-N 430.961 5.076 30 10 IKEE COc1ccc(Cl)cc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccccc1)C2=O 2325708844 NDMPKIPFYRMCEH-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)c2)cc1C 2325760490 CUMGXPQEFWVNTE-UHFFFAOYSA-N 444.487 5.393 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1cccn1C 2325908999 DPBNJTJRNQUQLJ-UHFFFAOYSA-N 436.368 5.053 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1ccc(O)cc1 2325909305 NAJQLUDVGZSAKG-UHFFFAOYSA-N 449.363 5.420 30 10 IKEE CCCOc1ccc(C=Nn2c(Cc3ccc(Br)cc3)nnc2SC)cc1 2325926365 NVELGRUAFFUOAE-UHFFFAOYSA-N 445.386 5.024 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1cccs1 2325951357 YSYLLEPPHRQLRS-UHFFFAOYSA-N 433.400 5.243 30 10 IKEE CCCCOc1ccc(C=Nn2c(CC)nnc2SCc2ccccc2Cl)cc1 2326546414 RDWPEHZSFJQIFB-UHFFFAOYSA-N 428.989 5.847 30 10 IKEE Cc1ccc(C)c(CSc2nncn2N=Cc2c(Cl)ccc(Cl)c2Cl)c1 2326589276 JRXMOOWGEPXUDJ-UHFFFAOYSA-N 425.772 6.030 30 10 IKEE CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1cc(Cl)ccc1O 2326900971 YSZRVZDWZOHBCY-UHFFFAOYSA-N 431.005 5.390 30 10 IKEE Cc1ccc(CSc2nnc(CCCOc3ccc(C)cc3)n2N=Cc2ccco2)cc1 2327153858 XXUDRKNGKUZCKQ-UHFFFAOYSA-N 446.576 5.674 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1c(F)cccc1Cl 2327205350 OZGLNGBOBSEYPZ-UHFFFAOYSA-N 444.963 5.551 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCCOc3ccccc3)n2N=Cc2ccco2)c1 2328746443 VWGWIIJZWSFZOV-UHFFFAOYSA-N 446.576 5.674 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2ccc(O)cc2)cc1C 2329422114 UIHCJCKENNTGAZ-UHFFFAOYSA-N 428.561 5.366 30 10 IKEE Cc1ccccc1C=Nn1c(CC2CCCCC2)nnc1SCc1ccccc1Cl 2330275727 KUDKAGYZPBKDAT-UHFFFAOYSA-N 439.028 6.537 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)ccc1OC(=O)c1cccc(OC)c1 2330765187 VNZFHFBAYDOFQU-UHFFFAOYSA-N 430.500 5.772 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1Cl)c1cccnc1 2330807499 QTMBGSMTPQGUOR-UHFFFAOYSA-N 432.690 6.157 30 10 IKEE CCCOc1cccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccccc2C)c1 2330808653 KUIPVBFIAAZSJP-UHFFFAOYSA-N 436.625 6.138 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3Cl)cc2)cc1 2330824615 ZCKAGIJVHBPQHL-UHFFFAOYSA-N 432.947 6.727 30 10 IKEE Cc1ccccc1CSc1nnc([C@H]2CCCO2)n1N=Cc1ccc(C(F)(F)F)cc1 2330896041 CIAJWCOOWFIVDY-LJQANCHMSA-N 446.498 5.631 30 10 IKEE Fc1cccc(CSc2nnc([C@@H]3CCCO3)n2N=Cc2cccc3ccccc23)c1 2330938828 CCZVQNLAEHSTMZ-QFIPXVFZSA-N 432.524 5.596 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OC(=O)Cc1ccc(F)c(C)c1 2331136129 ORUKSWBZUXRHKD-UHFFFAOYSA-N 438.882 5.840 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1C 2331238592 BGZRQOLPNBXNIX-UHFFFAOYSA-N 439.338 6.654 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc(Cl)ccc3Cl)c(Cl)c2)cc1 2331266020 MCOSLGRDWRUZPM-UHFFFAOYSA-N 445.729 7.071 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)c1cnc(C)cn1 2331279361 OCEIRDMHFBKNOF-UHFFFAOYSA-N 436.895 5.261 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OC 2331293291 SQDYBPXCZSVTEI-UHFFFAOYSA-N 446.499 5.283 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(Br)c1OC(=O)C1CC1 2331501146 PCSUUOQZEVMFBP-UHFFFAOYSA-N 443.337 5.793 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1OC(=O)c1cccc(C)c1 2331532439 ARBQBIJCADRCJA-UHFFFAOYSA-N 449.434 5.556 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccc(C)c(C)c3)cc2)c(C)c1C 2331612139 IXYUYISKXAXNEN-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3cccc(Cl)c3)c([N+](=O)[O-])c2)c(C)c1 2331770369 OIABNYJGZZPSON-UHFFFAOYSA-N 449.890 6.289 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cc(Cl)c(OC(=O)CC(C)(C)C)c(OC)c2)cc1C 2331835308 JFDAJSOSTSZLKT-UHFFFAOYSA-N 444.955 6.212 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)c2cc(Br)cc(OC3CC3)c2)C1 2362614692 VRFIKPSRTMKHHK-UHFFFAOYSA-N 436.346 5.034 30 10 IKEE COc1ccc(/C=N/c2ccc3nc(-c4ccc(Cl)cc4Cl)[nH]c3c2)cc1OC 822263 BUEYLKHZRGSIHI-BRJLIKDPSA-N 426.303 6.305 30 10 IKEE COc1cccc(-c2nc(SCn3c(=S)sc4ccccc43)nc(O)c2C#N)c1 9667825 KSNLLEQWFFFRBX-UHFFFAOYSA-N 438.559 5.225 30 10 IKEE CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)ccc1O 21226888 NZWMMKQPXVFHCP-MMTVBGGISA-N 440.543 6.079 30 10 IKEE CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)c(Cl)c2)cc1 21229735 BPKKQCARDRVVHD-WMZOPIPTSA-N 442.386 6.295 30 10 IKEE CC(C)(C)c1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(Cl)c(Cl)c2)C3)cc1 21255928 OLDGRYZNGBOROJ-FUHWJXTLSA-N 442.386 6.295 30 10 IKEE CC(C)(C)c1ccc(/C=C2\Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc3C2=O)cc1 33365347 ADNCYJADEJSTPG-QRVIBDJDSA-N 443.455 5.728 30 10 IKEE CC(C)c1nnc([C@@H](C)Sc2n[nH]c(N/N=C/c3cccc(Oc4ccccc4)c3)n2)o1 59878489 LLIBMMIJVIZAFQ-LJGKHRNASA-N 449.540 5.403 30 10 IKEE Cc1sc2nc(C(C)C)n(Cc3cccc(C#N)c3)c(=O)c2c1-c1ccc(Cl)cc1 96526502 PNAYEKZAFMLUMB-UHFFFAOYSA-N 433.964 6.130 30 10 IKEE CCCCCCCOc1ccc(NC(=O)CNc2ccc(OCCCCCC)cc2)cc1 100075496 GRQSDXIOQQRTPK-UHFFFAOYSA-N 440.628 7.046 30 10 IKEE CCCCCCCOc1cccc(NC(=O)CNc2ccc(OCc3ccccc3)cc2)c1 100076797 KENBZXUSGNRITQ-UHFFFAOYSA-N 446.591 6.665 30 10 IKEE CCCCCCCCOc1ccc(/C=C2/N=C(c3ccc(CCCC)cc3)OC2=O)cc1 100168156 QPJHLLMCIBVQMG-YYADALCUSA-N 433.592 7.113 30 10 IKEE CCCCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N/c1ccccc1Cl 100176094 UFFOEMVHWHKKIE-MWWVQSJNSA-N 444.025 6.504 30 10 IKEE CCCCCCCOc1ccc(/C=C/C(=O)/C=C/c2ccc(OCCCCCC)cc2)cc1 103584105 ZEWWKIDWNSHWKX-KLCVKJMQSA-N 448.647 8.291 30 10 IKEE COC(=O)C1=C(C)N(c2ccc(C)cc2)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C1=O 103662117 HFMQGSNPACYRJH-STZFKDTASA-N 433.891 5.786 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(OC(C)C)cc2)ccc1F 169979326 PHDZNIQYXDOJOS-HSZRJFAPSA-N 437.511 5.442 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1cccs1)c1ccc(Cl)cc1 169983922 VOMWZTPQXCZIKK-SFHVURJKSA-N 431.847 5.463 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccccc2)cc1 170028756 VGLVHUMEYCZYSG-XMMPIXPASA-N 427.500 5.485 30 10 IKEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccccc2)cc1 170047921 BZLQRUXYSPIIRM-SANMLTNESA-N 448.522 5.689 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2c[nH]c3ccccc23)cc1C 170073978 XMGJYWPFASZGAI-DEOSSOPVSA-N 440.474 5.707 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(O)c2)cc1 170079480 TUIDZOQLDLHSRO-HSZRJFAPSA-N 431.463 5.438 30 10 IKEE Cn1cc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCC2)c2ccccc21 170085726 ZMPFVXBNHSBHIM-QFIPXVFZSA-N 434.923 5.353 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccco2)cc1 170090770 RDZZQVVGNSDNLT-OAQYLSRUSA-N 435.907 6.013 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2ccc(F)cc2)c1 170140734 IHPLMGNEOAPFNY-FYSMJZIKSA-N 443.474 5.240 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(Cl)cc1 170235357 MTCZVDZPZQNXLN-NRFANRHFSA-N 437.854 5.271 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC(C)C)c3)[C@@H]2c2ccco2)c1 170282895 GKLRLQYDZNJRTN-QHCPKHFHSA-N 431.488 5.406 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccco2)cc1C(C)C 170283506 APRUWFCNFVTNTC-HSZRJFAPSA-N 447.487 5.290 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(C)o2)ccc1Cl 170299552 MUEGFNCSULXQDU-FQEVSTJZSA-N 441.842 5.172 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2Cc2cccnc2)o1 170307626 AWEVWIRAYDRDQO-LJQANCHMSA-N 443.286 5.068 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc(Cl)c(Cl)c2)=C(O)C(=O)N1c1ccccc1 170314922 WIALAERQBRPNTO-SFHVURJKSA-N 444.339 6.146 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccc(Cl)c(Cl)c1)c1ccccc1 170422483 UVBGURSEOUTRJP-FQEVSTJZSA-N 439.298 5.167 30 10 IKEE CCN(CC)c1ccc(C=NNc2nc(-c3cc4cccc(OC)c4oc3=O)cs2)cc1 252622139 NPPZODLAYACBGU-UHFFFAOYSA-N 448.548 5.217 30 10 IKEE C(=NNc1cc(N2CCCC2)nc(N2CCCC2)n1)c1c2ccccc2cc2ccccc12 252640251 YSAXLRRQBDQJRM-UHFFFAOYSA-N 436.563 5.429 30 10 IKEE CC(C)N=c1scc(-c2ccc3c(c2)OCCO3)n1N=Cc1ccc(C(C)(C)C)cc1 254297056 XWYYLAIKEVDMIJ-UHFFFAOYSA-N 435.593 5.477 30 10 IKEE Cc1cccc(C)c1NC(=S)NN=C1C[C@@H]([C@@H](C)c2cccnc2)Oc2ccc(O)cc21 254439042 KHZHNLYHGABBRR-SBUREZEXSA-N 446.576 5.050 30 10 IKEE Fc1c(F)c(F)c(C=NNc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c(F)c1F 254867286 DSKYIAADLLHCJW-UHFFFAOYSA-N 441.363 5.347 30 10 IKEE O=C1/C(=C/c2cc(Br)c(O)c(Br)c2)Oc2c(Cl)cccc21 299738188 HYKKPJBKVZYCBR-SDQBBNPISA-N 430.479 5.187 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccccn2)c1 526516132 LHTFFMMNTQXWDD-DEOSSOPVSA-N 425.488 5.189 30 10 IKEE COc1ccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccccc2F)cc1 526803754 LJMVYQAIOHWGMP-PKAZHMFMSA-N 446.551 5.386 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1ccccc1OC 526813691 HHMJVZPMFDAIRG-CFRMEGHHSA-N 449.407 6.111 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1ccccc1OCCC 526821943 BLDNYRFQYIPKDO-ONUIUJJFSA-N 433.581 5.456 30 10 IKEE C=CCn1c(-c2ccc(Cl)cc2)c(Br)sc1=Nc1c(C)cc(C)cc1C 585679617 PTKXFLGZJQHRBQ-UHFFFAOYSA-N 447.829 6.976 30 10 IKEE CCOc1ccc(S(=O)(=O)N(CCCC#N)C(c2ccccc2)c2ccccc2)cc1 586146552 ARFVZEIUUPLMBR-UHFFFAOYSA-N 434.561 5.169 30 10 IKEE C=CCCN(c1ccc(C(=O)OCC)cc1)S(=O)(=O)c1ccc(CCCCCC)cc1 586230635 DQDZJDLNBZYGAH-UHFFFAOYSA-N 443.609 5.758 30 10 IKEE C=C(CC)C[C@@H](NCCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 708565509 CWHXWXAKRARXAC-WOJBJXKFSA-N 439.438 5.609 30 10 IKEE Cc1ccc[n+](/C(C(=S)Nc2ccc(OC(F)F)cc2)=C(/O)c2ccc(C#N)cc2)c1 762444671 CRNRZMHVKQFSCE-UHFFFAOYSA-O 438.479 5.079 30 10 IKEE CCc1cccc(C)c1-n1c(C)cc(C=Nc2ccccc2I)c1C 1084042149 GOPNIGAYMVYEBI-UHFFFAOYSA-N 442.344 6.320 30 10 IKEE CC(C)(C)c1ccc(O)c(N/C(=N/Cc2cccc(C(F)(F)F)c2)N2CCOCC2)c1 1088735317 HURHOQPOZVKXJQ-UHFFFAOYSA-N 435.490 5.009 30 10 IKEE O=C1/C(=C\C=C\c2ccccc2)S/C(=N/N=C/c2ccc(F)cc2)N1Cc1ccco1 1615301819 QAVUPNUAQBBVTH-TUNDWGGQSA-N 431.492 5.482 30 10 IKEE CCCCCCCCCCCCN1C(=O)[C@@H]2c3cc4c(cc3C[C@H](C)[C@@H]2C1=O)OCO4 1616046656 NHUYNJGLBWETBM-GKVQRAMASA-N 427.585 5.597 30 10 IKEE CCN(CC(=O)Nc1nc(C)c(Cc2ccc(C)cc2)s1)[C@@H](C)c1ccc(C#N)cc1 1641564688 AXDXTJPCKOPTCU-IBGZPJMESA-N 432.593 5.244 30 10 IKEE COc1cc(Cl)c(C)cc1NC(=O)Oc1ccc(CNC(=O)c2cccc(C#N)c2)cc1 1858912769 FCRCIQFDIJJJRP-UHFFFAOYSA-N 449.894 5.070 30 10 IKEE N#Cc1cccc(C(=O)N2CCC3(C=Cc4ccc(OCc5ccccc5)cc4O3)CC2)c1 1859497837 NKCNZKBQFASUIJ-UHFFFAOYSA-N 436.511 5.218 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc3c(c2)CCCC3)n(-c2cccc3ccccc23)n1 1862359364 SGFGMNXLPALFQI-UHFFFAOYSA-N 447.582 6.386 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2C(=O)O)cc1 1862395374 PYOPPAUGQHWMAG-HSZRJFAPSA-N 447.531 5.248 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc(F)cc2F)cc1 1862395789 YRGXNXNXKGFWAD-QFIPXVFZSA-N 427.491 5.542 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@H]2c2ccccc2C)cc1OCCC 1862426481 VSZOJBCNBFPDSO-QHCPKHFHSA-N 437.536 5.171 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(CC)cc1 1862489267 TUPQLZYMYDVZQB-ZEQKJWHPSA-N 447.619 6.803 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2c(Cl)cccc2Cl)ccc1F 1862508446 IZKMYPPMVKQJMZ-IBGZPJMESA-N 436.310 5.675 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 1862531044 DWFBFVAWFZCHJK-DEOSSOPVSA-N 443.543 5.918 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(Cl)cc1Cl 1862552682 BKLAQECRBWVCRC-NRFANRHFSA-N 444.358 5.859 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)cc1 1862596439 NTSAYRYZAFPWRT-OUPRXKBMSA-N 449.547 5.338 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(C(C)(C)C)cc2)=C(O)C(=O)N1[C@H]1CCCC[C@@H]1C 1862613994 VEZYFFIXPFFQJW-BFMBIBTESA-N 445.603 6.450 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)cc1 1862649135 QVHIIHBSHXBHAG-VFHOHQAYSA-N 439.555 6.305 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1F 1862674420 WJMOOEBAVGFTQL-JOCHJYFZSA-N 427.491 5.904 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc(OCc2ccccc2)c1 1862685439 WSENQGLFJSSQQH-XMMPIXPASA-N 445.490 5.391 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862690608 CEUKDHNKARWVIV-DVKBMCPXSA-N 447.575 5.976 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2cccc(Cl)c2)c1 1862700562 JIIADLJWEYGNLY-QMHKHESXSA-N 447.918 5.688 30 10 IKEE N#Cc1cccc(N2C(=O)C(Nc3cccc(Cl)c3)=C(c3ccccc3Cl)C2=O)c1 1863076226 CSDVSMHRPSKQDP-UHFFFAOYSA-N 434.282 5.262 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccccc2)=C(c2ccccc2OC)C1=O 1863425855 ZDWDFZPPIBOUHS-UHFFFAOYSA-N 434.580 6.028 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2Cl)=C(c2ccc(F)c(C)c2)C1=O 1863464709 FTKGXBMRDXADIE-UHFFFAOYSA-N 442.962 6.340 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCCN(C)C)=C(c2ccc(C)cc2)C1=O 1863620109 NEGJRKWULZCMOC-UHFFFAOYSA-N 441.660 5.147 30 10 IKEE CCCCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CC)[C@@H]1c1ccccc1 1863994725 YNALTSIRWLFTEX-QFIPXVFZSA-N 438.616 5.163 30 10 IKEE COc1cccc(C(=O)/C=C/C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)c1 1866233093 NOAKXUVHLXPHEQ-ZHACJKMWSA-N 432.442 5.082 30 10 IKEE CC[C@@H](NC(=O)[C@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1ccccc1C#N 1866991159 LLVWSUAKNSDBHZ-QUCCMNQESA-N 432.351 5.138 30 10 IKEE CCCC[C@@H](NC(=O)[C@@H](c1ccc(OC)cc1)C1CCCC1)C(=O)Nc1ccccc1C#N 1867011894 RNDPDFHQJYJNTO-JWQCQUIFSA-N 447.579 5.154 30 10 IKEE C[C@@H](NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnc(-c2cccc(F)c2)o1 1868039523 RZFFXPZDWDKGRY-SECBINFHSA-N 447.310 5.404 30 10 IKEE N#Cc1ccc(Nc2cc(N3CCO[C@H](c4ccccc4)C3)nc(Cc3ccccc3)n2)cc1 1868220256 ZPMCTEICQFEGKE-VWLOTQADSA-N 447.542 5.261 30 10 IKEE CC(C)(C)c1nc(Nc2cccc(C#N)c2)cc(N2CC[C@@H](c3ccc4c(c3)OCO4)C2)n1 1868333362 HOSQGLUMTLUJMR-LJQANCHMSA-N 441.535 5.112 30 10 IKEE CCCc1nc(Nc2ccc(C#N)cc2)cc(N2CCO[C@H](c3ccc(CC)cc3)C2)n1 1868401174 QJPWEOFWQCPCKP-QHCPKHFHSA-N 427.552 5.185 30 10 IKEE C=CCN(CC=C)C(=O)[C@](C)(CC)NC(=O)[C@@H](CC(C)C)c1cccc(Br)c1 1869004066 NQWBFHQSDWQSQW-REWPJTCUSA-N 449.433 5.064 30 10 IKEE CCCCCCCCn1cc(OCC2CCCCC2)c(=O)cc1CN1C[C@H](C)O[C@@H](C)C1 1870483387 PXFISKRJFGQNPK-GOTSBHOMSA-N 446.676 5.777 30 10 IKEE C=CCOc1cn(CCc2c[nH]c3ccccc23)c(CNc2ccc3cc[nH]c3c2)cc1=O 1870809340 XCZUMDMGWLMXOS-UHFFFAOYSA-N 438.531 5.231 30 10 IKEE CCCCCCCOc1cn(Cc2ccccn2)c(CNc2cccc(Cl)c2)cc1=O 1870837888 CSLHYNGUWLXJHJ-UHFFFAOYSA-N 439.987 5.906 30 10 IKEE C#CCOc1cn(Cc2ccccc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871006318 AMPCZVVSYPTLJC-UHFFFAOYSA-N 435.527 5.264 30 10 IKEE CCCCCCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(C(C)C)cc1)C3=O 1871349685 XZTADXFKIOUNAQ-ONUIUJJFSA-N 447.619 7.247 30 10 IKEE COc1ccc([C@H](C)N2COc3cc(C)c4c(c3C2)O/C(=C\c2ccc(C)cc2)C4=O)cc1 1871354110 HLIQNHAJBBNYTC-ILRHRSLTSA-N 441.527 5.841 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OC(=O)COc3ccc(C)cc3)cc(C)c2C1=O 1871370123 QLGWVERCVCTADW-OYKKKHCWSA-N 444.483 5.303 30 10 IKEE Cc1ccc(OCCCCOc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871406212 WTGKJMGRNNSASS-GBYMPPBLSA-N 426.512 6.405 30 10 IKEE Cc1cc(OCc2cccc(Oc3ccccc3)c2)cc2c1C(=O)/C(=C/c1ccccc1)O2 1871436793 QEZVCUKODXNCTG-PKAZHMFMSA-N 434.491 6.983 30 10 IKEE Cc1c(OCc2ccccc2C#N)ccc2c1O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 1871437140 JLDCBQNBZGAPIY-QRQIAZFYSA-N 443.502 6.729 30 10 IKEE CC(C)=C1Oc2c(ccc(OCC(=O)N3c4ccccc4Sc4ccccc43)c2C)C1=O 1871443040 WYOBUJGEXPIHDA-UHFFFAOYSA-N 443.524 6.072 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C)c(C)c4)cc(C)c3C2=O)cc1 1871459568 QWWWFCWTQLKLJP-CFRMEGHHSA-N 443.499 5.254 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(OCC)cc2)[nH]c(N(CC)CCCC)n1 1871529717 ITPBIACJDNRRIK-UHFFFAOYSA-N 442.652 5.835 30 10 IKEE C=CCN=c1nc(Nc2ccc(Cc3ccccc3)cc2)[nH]c(N(CCCC)CCCC)n1 1871660113 YCTOSOZQBBWXMX-UHFFFAOYSA-N 444.627 5.632 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cc(C)cc(C)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872005756 WFPGTRSKYVNJSU-WMZHIEFXSA-N 446.588 5.063 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(=O)(=O)CC 1872205533 VJZHVCSQFGAPOT-DEOSSOPVSA-N 442.625 5.243 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1ccccc1 1872426629 FBURGIIFEDJWOV-OAQYLSRUSA-N 434.989 5.023 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3cc(C)ccc3C)cs2)cc1OC 1872772055 IURRMXJEJWCJFF-CSNYQSHPSA-N 432.545 5.724 30 10 IKEE COc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3c[nH]c4ccccc34)cs2)c(OC)c1 1872777693 TYSSWFKGZKXTLI-LNENJAERSA-N 429.501 5.198 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)Cc3ccc(Cl)cc3)n2)cc1C(C)C 1872779871 TUHZLPRGNPCITB-FQEVSTJZSA-N 438.980 6.323 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)c2ccc(-n3cccc3)cc2)n1 1872786582 NPIBDJCLOZWING-FQEVSTJZSA-N 447.947 6.061 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H](C)CC)=C(c2ccccc2Br)C1=O 1873068931 DNHLKHBEDKPEHW-INIZCTEOSA-N 435.406 5.278 30 10 IKEE CCCCCCCCCCNC1=C(c2cc(C)ccc2C)C(=O)N(C2CCCCC2)C1=O 1873150665 GQMNZIKJZHMZSG-UHFFFAOYSA-N 438.656 6.446 30 10 IKEE CCCCCCCCCOc1ccc(-c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1Cl 1873503076 GPGFJUJXHRTIPJ-UHFFFAOYSA-N 442.003 6.715 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(-c3ccccc3C)cc1)n2CCCC 1873612602 DMASQDMJCPJFBV-UHFFFAOYSA-N 439.563 6.057 30 10 IKEE CCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1cccc(Cl)c1 1874212942 MVQWTDJVDFHAPH-OEAKJJBVSA-N 435.380 5.591 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CCCOc2cccc(C)c2)nnc1SCC=C 1874247052 JRIGIOPVTOXUDF-LGUFXXKBSA-N 448.592 5.323 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccc(OC)cc1 1874266640 HKHXDBFTVWMQLL-FSJBWODESA-N 428.945 5.070 30 10 IKEE CCSc1nnc(CCc2cccc(OC)c2)n1/N=C/c1c(OC)ccc2ccccc12 1874309174 JEJLBOYZZOQIMQ-YZSQISJMSA-N 446.576 5.228 30 10 IKEE Cc1cccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccncc2)c1C 1874323184 BVVWWHUGQUHQLG-CVKSISIWSA-N 429.549 5.043 30 10 IKEE Cc1ccc(C)c(CSc2nnc(COCc3ccccc3)n2/N=C/c2ccccc2)c1 1874355666 VKPAOFSXDJQONO-JVWAILMASA-N 442.588 5.786 30 10 IKEE COc1cccc(/C=N/n2c(SCc3cccc(C)c3)nnc2-c2ccccc2Cl)c1 1874366120 MADPGDCLUIUXMA-CVKSISIWSA-N 448.979 6.090 30 10 IKEE CN(C)c1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCCc2ccccc2)cc1 1874408016 BGASNYBNKDUACF-NHFJDJAPSA-N 447.652 5.684 30 10 IKEE COc1cccc(/C=N/n2c(SCc3cccc(C)c3)nnc2-c2cccs2)c1O 1874422152 XFCBBLCGSLLCFQ-YDZHTSKRSA-N 436.562 5.204 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCCC)cc1OCC 1874440379 YDSQGXSRVVNTGB-XIEYBQDHSA-N 446.661 6.219 30 10 IKEE Clc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2[C@H]2CCCO2)cc1Cl 1874448953 PAYRLBGGPFSQFP-ANRKENSESA-N 447.391 5.653 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CCCC2)cc1O 1874457493 RBMRUVJKXZHSBS-ZMOGYAJESA-N 442.972 5.478 30 10 IKEE Fc1cccc(Cl)c1/C=N/n1c(SCc2cccc(Cl)c2)nnc1C(F)(F)F 1874462792 GIBNNRCARCFYQG-KTZMUZOWSA-N 449.260 5.917 30 10 IKEE Clc1ccccc1CSc1nnc(-c2ccco2)n1/N=C/c1c[nH]c2ccccc12 1874467018 NYBCJBSDXDWGEJ-DHRITJCHSA-N 433.924 5.847 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874503350 DCNVLFNGPXWIGK-WGOQTCKBSA-N 449.624 5.450 30 10 IKEE CCCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1/N=C/c1ccc(Cl)cc1 1874506934 CMGSZYNNMGZKNI-ZMOGYAJESA-N 441.988 5.114 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Cl)cc(OC)c1OCc1cccc(F)c1 1874576700 BGLZFTOWHDCLHS-ZHACJKMWSA-N 426.871 5.971 30 10 IKEE Cc1cc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)ccc1F 1874581522 RIOWMTTWLOXJOM-XBXARRHUSA-N 449.736 7.569 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccccc2F)cc1 1874581979 PQECYEDWFSSGCD-SAPNQHFASA-N 431.507 6.037 30 10 IKEE COc1cccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)c1OCc1cc(C)ccc1C 1874585761 DPZUCRPBQASBSJ-BUHFOSPRSA-N 428.572 7.021 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)c(C)c1C 1874586278 FGAIBCVTVACYTP-IZZDOVSWSA-N 441.354 7.094 30 10 IKEE O=C(COc1cccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1)Nc1ccccc1F 1874593359 FWHRKJAFHNQDIN-DHZHZOJOSA-N 444.289 6.046 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3c(C)cccc3C)c2)cc1 1874596170 HZUKSZMBBGUVMZ-LFIBNONCSA-N 429.516 5.616 30 10 IKEE Cc1ccc(NC(=O)COc2cccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 1874597445 MWTOCWSQDXSZHH-LICLKQGHSA-N 427.544 6.206 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OCCc3ccccc3)c(OC)c2)cc1C 1874607007 QVMWISGKPXLBME-ZRDIBKRKSA-N 432.516 5.538 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OCC(=O)Nc1ccc(C)cc1C 1874618759 RQCJHIOHNFTLJI-FMIVXFBMSA-N 443.543 5.842 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(F)c(F)c3)cc2OC)o1 1874627141 FKLXIMPJJDMSPW-RUDMXATFSA-N 442.414 5.218 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(OC)c1OCc1ccccc1F 1874634153 NEOLFUARFAIHIB-ZHACJKMWSA-N 434.507 6.243 30 10 IKEE Cc1ccc(C)c(OCC(=O)Oc2cccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)c2)c1C 1874692542 MFYATPSCWDZCMW-OUKQBFOZSA-N 445.471 5.401 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)[C@H](C)c3ccccc3)c2)cc1OC 1874694383 ZYTQFZFINHILGL-LVMGUKCRSA-N 446.499 5.318 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)COc3ccc(C)cc3C)c2)c1 1874694462 DOYRGNHTCZFTQL-PKNBQFBNSA-N 446.499 5.201 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)cc2)c1 1875102939 SYDLUAXFJAHDRT-KPKJPENVSA-N 427.283 6.117 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)C(F)(F)F 1875105469 WUQQNBGGUMYZIS-XVNBXDOJSA-N 433.209 5.756 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Br)c(OC(=O)C3CCC3)c(OC)c2)cc1 1875113316 XRGOXDAOVKGVNG-IZZDOVSWSA-N 445.309 5.068 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)cc(Cl)c1OC(=O)c1ccccn1 1875119327 ONHQBJHXJFVVBB-VAWYXSNFSA-N 437.879 5.258 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)c1cccc(C)c1 1875122774 URXAARHBDDLTMP-FMIVXFBMSA-N 448.465 6.126 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2Br)c(Cl)c1)c1ccccc1 1875128051 KZGJDNLNJTZYFM-ZRDIBKRKSA-N 441.708 6.218 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cncc(C)c3)c(Cl)c2)cc1 1875137335 HVSKQBPADBQFBL-ONNFQVAWSA-N 435.907 5.948 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2sccc2C)c(Cl)c1 1875143143 LBABVBJASWQDIJ-FNORWQNLSA-N 426.921 6.142 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)[C@@H]2CCCO2)c(Cl)c1 1875161052 WCGFOVJZIYQFTE-KXOMFBTKSA-N 442.939 5.627 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1Cl 1875182626 MRNQQRGUNHWONG-PKNBQFBNSA-N 448.946 6.318 30 10 IKEE C=CCn1c(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc2c(NCCCCCCCC)ncnc21 1875230414 YKFFYQLRROXIGI-WOJBJXKFSA-N 425.621 5.508 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](O)c1cc(Br)c(Cl)s1 1922078276 VLVHRMBJKWQCAU-MSOLQXFVSA-N 444.822 5.339 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)[C@@H]2C[C@H]21 2008450360 ZPFNNIBGWLZAPF-PMAPCBKXSA-N 447.963 5.373 30 10 IKEE CC1CCN(S(=O)(=O)c2ccc(C(=O)C=Cc3c(Cl)cccc3Cl)cc2)CC1 2053614671 FCXHOLGXYQNDCZ-UHFFFAOYSA-N 438.376 5.310 30 10 IKEE C=C(COCC)C(=O)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071356511 PCKJESZSVFRCDT-MHZLTWQESA-N 432.516 5.040 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@]2(C)CCCN2C(=O)OC(C)(C)C)cc1 2076986601 LVLVHKLSBZNHDU-NTKDMRAZSA-N 445.560 5.118 30 10 IKEE COc1ccc([C@H](n2nc(C(C)C)c(C#N)c2I)C2(C)CC2)c(C)c1 2079858839 WIPWCHGCFNGCDN-SFHVURJKSA-N 449.336 5.189 30 10 IKEE COc1ccc([C@H](n2nc(C(C)(C)C)c(C=NO)c2Br)C2(C)CC2)c(F)c1 2080074069 JFQRTZDETOJHGG-KRWDZBQOSA-N 438.341 5.288 30 10 IKEE CCCOc1ccc([C@H](C(C)C)n2nc(C(C)(C)C)c(C=NO)c2Br)cc1 2080077265 BSLIZXQPPILGKN-SFHVURJKSA-N 436.394 5.785 30 10 IKEE Fc1cc(C(F)(F)F)cc(-n2nc(C3CCC3)c(C(F)(F)F)c2Br)n1 2080481528 VYSNWYYUFDPDSY-UHFFFAOYSA-N 432.137 5.474 30 10 IKEE Fc1cc(C(F)(F)F)ccc1-c1cc(Cl)n2nc(C(F)(F)F)c(C3CCC3)c2n1 2081279788 NCDNTDLAYYVDCM-UHFFFAOYSA-N 437.746 6.494 30 10 IKEE CCc1ccc(C#N)c(Nc2ccc(I)c(Br)c2)c1 2132318491 VPPANYCTCFDHAL-UHFFFAOYSA-N 427.083 5.231 30 10 IKEE CC(C)(C)OC(=O)N1Cc2ccc(CNc3cc(Br)ccc3C#N)cc2C1 2162414036 HYNBMGSWUOUJNV-UHFFFAOYSA-N 428.330 5.184 30 10 IKEE CC(C)(C)OC(=O)N1CCc2c(cccc2Nc2cccc(Br)c2C#N)C1 2162419610 JJAMDROPIKYFEN-UHFFFAOYSA-N 428.330 5.358 30 10 IKEE CC(C)(C)CNCC#Cc1sc(Br)c(Br)c1Br 2216398930 ZBOAFWHETOBCHN-UHFFFAOYSA-N 444.030 5.023 30 10 IKEE C=CCCCCCC[C@H](O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237406757 HTGFMYMRNCHISO-PMACEKPBSA-N 440.422 5.772 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)cc1CC 2237544500 VFUIDXUQGJOAOF-VQTJNVASSA-N 437.422 5.359 30 10 IKEE CCCN[C@@H](CC#CC1CCCC1)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2251494781 FXXDFHUQPZIAAI-BJKOFHAPSA-N 428.617 5.048 30 10 IKEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)c1ccccc1 2255615418 RFQAOIMDCOAZSB-UHFFFAOYSA-N 433.382 5.203 30 10 IKEE C=CC[C@]1(COc2cccc(Br)c2N)CCCCN1C(=O)OC(C)(C)C 2272226159 UWWSYJHPPJMPAQ-HXUWFJFHSA-N 425.367 5.146 30 10 IKEE C=CCCC1([C@H](Cc2cccc(C)c2Br)NC)CN(C(=O)OC(C)(C)C)C1 2281036625 AMFHYOVRVYJEFL-SFHVURJKSA-N 437.422 5.091 30 10 IKEE CC1(C)OB(c2ccccc2NC(=O)Nc2ccccc2OCc2ccccc2)OC1(C)C 2282755243 ZIEOCMSRIZJKTD-UHFFFAOYSA-N 444.340 5.209 30 10 IKEE C=CCN1C(=O)C(=Cc2ccccc2OC[C@H](C)COc2ccccc2)SC1=S 2293700586 JQZSDQWCPXHKOE-QGZVFWFLSA-N 425.575 5.168 30 10 IKEE C=C(C)[C@H]1CC[C@@]2(C(=O)O)CC[C@H]3[C@@H](CC[C@H]4[C@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@]34C)[C@H]12 2294277102 KGUHFCVSCDQVEU-ZWEBWCAESA-N 442.684 6.699 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(F)c(C(=O)C#Cc2cccc(Br)c2)cc1F 2296231157 AOTZMKUFMATZMW-UHFFFAOYSA-N 436.252 5.309 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)C(C)(C)N(CC)C(=O)OC(C)(C)C 2296310197 GIJMUDZPQDLGPF-LJQANCHMSA-N 437.422 5.204 30 10 IKEE Cc1ccc(C(=O)C=C2Nc3ccc([N+](=O)[O-])cc3NC2=CC(=O)c2ccc(C)cc2)cc1 2296756227 ORXNONNFHLAHLN-UHFFFAOYSA-N 439.471 5.583 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 2297459054 GGQVKOBJGQNUHL-XMMPIXPASA-N 440.455 5.086 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2Br)C3=O)cc1 2314437286 IDQNIPQNWQMRHH-UHFFFAOYSA-N 435.273 5.593 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1CSc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317351434 INPTYLMSMDQFQP-QFQMRYFISA-N 446.422 5.218 30 10 IKEE CCCCOc1ccc(C=Nn2c(C)nnc2SCCc2ccccc2)cc1OCC 2321155254 FBUKMIYLQBSLDO-UHFFFAOYSA-N 438.597 5.381 30 10 IKEE Fc1ccc(COc2ccc3ccccc3c2C=Nn2c(S)nnc2C2CCCC2)cc1 2321928124 IMAAIROMWCGCPI-UHFFFAOYSA-N 446.551 5.978 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)NCc2ccco2)cc1 2322402016 QQTCSAQLQDHYPZ-UHFFFAOYSA-N 447.531 5.222 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C)cc2C)c1OCC(=O)Nc1cc(C)cc(C)c1 2322579852 OZSVZBALFRQPRQ-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE Cc1cc(OC(=O)c2ccncc2)cc2c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O2 2322828480 NMXNGXQUKKJLPB-UHFFFAOYSA-N 426.255 5.532 30 10 IKEE Cc1c(OC(=O)c2cccc(Cl)c2)ccc2c1OC(=Cc1cccc(Cl)c1)C2=O 2322915988 MFXXCNVTWHXZFD-UHFFFAOYSA-N 425.267 6.137 30 10 IKEE CCOc1cc(C=NNc2ccc(OC)c(Cl)c2)cc(Br)c1OCC 2322926634 UACROXGULJVNTQ-UHFFFAOYSA-N 427.726 5.355 30 10 IKEE COC(=O)c1ccc(COc2cc(C=CC(=O)c3c(C)c(C)cc(C)c3C)ccc2OC)o1 2323259158 NESYJFMWKCEGBH-UHFFFAOYSA-N 448.515 5.784 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)C=Cc1ccc(Cl)cc1Cl 2323327597 BMAUXHWXVDTZMZ-OAQYLSRUSA-N 441.443 6.158 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC)c3ccccc23)cc1OCCc1ccccc1 2323328084 XCWWSFCLODITHY-UHFFFAOYSA-N 438.523 6.375 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)ccc2OC)cc1OCc1ccccc1Cl 2323331790 NLGPLUFQPKDAHI-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1C 2323370539 QQOJZSZORNRYOW-UHFFFAOYSA-N 430.460 5.125 30 10 IKEE COc1ccccc1C=C1Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2C1=O 2323396468 MBIMMQDLTPARHH-UHFFFAOYSA-N 436.463 5.613 30 10 IKEE CCCOc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccccn2)C3=O)cc1 2323460574 GCTHAHKWSXTOQY-UHFFFAOYSA-N 427.456 5.105 30 10 IKEE CCN(CC)C(=O)COc1c(Cl)cc(C=CC(=O)c2cccc(Cl)c2)cc1OC 2323759387 UMNNXALSAZMBQB-UHFFFAOYSA-N 436.335 5.145 30 10 IKEE COc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3cc(C)ccc3OC)cs2)c(OC)c1 2324572445 IEBMWOKQNWMWON-IBGZPJMESA-N 434.517 5.034 30 10 IKEE CC(C)(C)c1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 2324611701 OBAFMTSSCDIOLI-HSZRJFAPSA-N 442.628 7.295 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@H](C#N)C(=O)C=Cc3ccc4c(c3)OCCO4)n2)c1C 2324719020 KDQAAXFSRVFGLP-HXUWFJFHSA-N 444.556 5.705 30 10 IKEE COc1cc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc(OC)c1OC 2324756600 QWJNYYPNMNKFLL-IBGZPJMESA-N 448.544 5.342 30 10 IKEE C[C@H](NC(=O)COc1ccc2c(c1)OC(=Cc1cccc(Cl)c1)C2=O)c1ccccc1 2325019526 WWMYXYWIEPXBGL-INIZCTEOSA-N 433.891 5.212 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(OCCC)cc1 2325532462 BAKTWWAKNADNGK-UHFFFAOYSA-N 443.016 6.237 30 10 IKEE COc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)CCc1ccccc1C 2325721687 WUAPZFRDTXYFNS-UHFFFAOYSA-N 445.471 5.346 30 10 IKEE COc1ccccc1CC(=O)Oc1cccc(C=CC(=O)c2cc(Cl)ccc2OC)c1 2325781679 BTETYQYEAJYMNY-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc(OC)c2)n1N=Cc1cccc2ccccc12 2328636543 LOVDHPSVZHRIKP-UHFFFAOYSA-N 442.588 5.776 30 10 IKEE Cc1ccc(C=Nn2c(COCc3ccccc3)nnc2SCc2cccc(F)c2)cc1 2329317767 WLBSDBLRWORQKE-UHFFFAOYSA-N 446.551 5.617 30 10 IKEE Cc1cccc(C=Nn2c(COCc3ccccc3)nnc2SCc2cccc(F)c2)c1 2329317896 JALVUZSEJZTADW-UHFFFAOYSA-N 446.551 5.617 30 10 IKEE Cc1ccc(CSc2nnc(CCc3cccs3)n2N=Cc2cccc(F)c2)cc1 2329626996 RBDWUSCSQSKMQA-UHFFFAOYSA-N 436.581 5.747 30 10 IKEE Cc1ccc(CSc2nnc(CCc3cccs3)n2N=Cc2cc(C)ccc2O)cc1 2329629211 KVPFXQFCUQHPJH-UHFFFAOYSA-N 448.617 5.622 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccccc3)n2N=Cc2ccccc2C)c1 2329888181 FERATCSAJSQNRI-UHFFFAOYSA-N 428.561 5.648 30 10 IKEE C=CCSc1nnc(CCc2ccccc2)n1N=Cc1c(OC)ccc2ccccc12 2330201647 BGWXQPRWYKZBOD-UHFFFAOYSA-N 428.561 5.385 30 10 IKEE O=[N+]([O-])c1ccccc1C=Nn1c(SCc2cccc(Cl)c2)nnc1-c1ccccc1 2330692759 RVDVDBFFRGJLSS-UHFFFAOYSA-N 449.923 5.681 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OC(=O)C1CCCC1 2330701234 TWRSVAZSQXQXEX-UHFFFAOYSA-N 444.571 6.294 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Br)c(OC(=O)CC)c(OC)c2)cc1 2330840835 GFCPDRFOULQSOK-UHFFFAOYSA-N 445.353 6.012 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)cc1)c1ccc([N+](=O)[O-])cc1 2331018206 KCGVDUNVMJZUHN-FGZHOGPDSA-N 447.874 5.853 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2331293356 ADLDEIHBLWODDN-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OCCC)cc2)cc(OC)c1OC(=O)c1ccco1 2331310979 BIHUWSVZGLURMR-UHFFFAOYSA-N 446.499 5.921 30 10 IKEE COc1cc(C(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2)cc(OC)c1OC 2331313539 SCUGAAIGGXXJLL-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2OC)cc(OC)c1OC(=O)c1ccccc1 2331376312 VWNHYNYWBITLQO-UHFFFAOYSA-N 442.511 5.856 30 10 IKEE CC(C)Cc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(C(F)(F)F)cc1 2331443491 VNLNEVAJCZDBFX-UHFFFAOYSA-N 436.478 5.809 30 10 IKEE CCCOc1ccccc1C=Nn1c(CC(C)C)nnc1SCc1cc(C)ccc1C 2331453933 AUQWBCJVPQEANV-UHFFFAOYSA-N 436.625 6.057 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3C)c(OC)c2)cc1F 2331467572 GTOGKKOKNIOSNR-UHFFFAOYSA-N 448.490 5.586 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)c1ccccc1 2331488899 GEOVTTFVAVFAIR-UHFFFAOYSA-N 434.919 6.587 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc4c(c3)OCO4)c(Cl)c2)cc1 2331494531 YZRSCCBVOYWBCQ-UHFFFAOYSA-N 448.902 6.307 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C2CCC2)c1 2331543461 YRNZWVHYJOBFAG-UHFFFAOYSA-N 447.391 6.036 30 10 IKEE CCCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1N=Cc1ccc(C(C)C)cc1 2331639521 MBHDCQPOZGBWSM-UHFFFAOYSA-N 449.624 5.584 30 10 IKEE COc1ccccc1C(=O)Oc1c(OC)cc(C=CC(=O)c2ccc(C)c(C)c2)cc1OC 2331705534 ZXIDXDVBMVYFHF-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(Cl)c2)ccc1OC(=O)c1ccco1 2331834589 DNZNDOYTNLTXNU-UHFFFAOYSA-N 426.852 5.456 30 10 IKEE COCc1ccc(CN(C(=O)OC(C)(C)C)[C@@H](C#N)c2cc(Cl)c(Cl)s2)s1 2368038865 DNYKLUNODWUUST-AWEZNQCLSA-N 447.409 6.265 30 10 IKEE Cc1cc(CNc2ccc(Cl)cc2Br)ccc1B1OC(C)(C)C(C)(C)O1 2369693694 FVFVDTGBYUGXSX-UHFFFAOYSA-N 436.586 5.322 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1ccc2c(c1)O/C(=C/C=C/c1ccccc1)C2=O 2154386 DQKAQYMMVPTNJI-HUPFXJEZSA-N 428.440 5.095 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccc(CCCC)cc2)nc2c([nH]c3ccccc32)c1=O 17271238 HRSJUOHIBFUUKQ-UHFFFAOYSA-N 446.576 5.137 30 10 IKEE Cc1cccc(C)c1NC(=S)N/N=C1\C[C@@H]([C@@H](C)c2cccnc2)Oc2ccc(O)cc21 20683601 KHZHNLYHGABBRR-VJCOLUCKSA-N 446.576 5.050 30 10 IKEE COc1cc([N+](=O)[O-])cc(/C=N/c2cc(-c3nc4cc(C)cc(C)c4o3)ccc2C)c1O 27472127 PHUWLDGKBMQGNV-BRJLIKDPSA-N 431.448 5.793 30 10 IKEE Cc1cc(I)cc(/C=N/c2ccc3c(c2)Cc2ccccc2-3)c1O 27501143 ZQWDTRCJQQRSKU-FSJBWODESA-N 425.269 5.627 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccccc3Br)c2)cc1 34954836 SVKMRMKHEFNNDD-NTEUORMPSA-N 437.289 5.573 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2)Oc2cc(OCc3ccc(Br)cc3)ccc21 38321021 ZJEQXXFXEKCJIJ-NHDPSOOVSA-N 441.708 6.298 30 10 IKEE O=C1/C(=C/c2ccc(Br)cc2)N=C(c2ccccc2)N1/N=C/c1ccccc1 38818076 ALBFBZZPBRIOBS-ODYMTFIRSA-N 430.305 5.113 30 10 IKEE O=C1N/C(=N\N=C\c2ccc(-c3ccccc3Cl)o2)S[C@@H]1Cc1cccc(Cl)c1 39888200 WPFVCIYPURJOEZ-QVHMZZSFSA-N 444.343 5.418 30 10 IKEE C=CCc1ccc(OCCn2c([C@@H](O)c3ccccc3)nc3cc(C)c(C)cc32)c(OC)c1 40310380 ZZFKEWGGUCXVPB-MHZLTWQESA-N 442.559 5.551 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCc4c(F)c(F)c(F)c(F)c4F)cc(C)c3C2=O)o1 41436117 FFMDFCSMJLEUQY-UUASQNMZSA-N 436.332 5.787 30 10 IKEE CCCCCCCCCCCCCCCCCCCCC[C@@H](O)C[C@H](O)CCCCC 43888354 DAGYDJHSDMRWJX-FQLXRVMXSA-N 440.797 9.501 30 10 IKEE endogenous,in-man Cc1ccc(CSc2nc3ccc(/N=C/c4c(F)cccc4Cl)cc3s2)cc1 59517232 KXLVYAAJLLAWMQ-BRJLIKDPSA-N 426.969 7.440 30 10 IKEE CCCn1c2ccccc2c2nnc(N/N=C/c3cccc(OCc4ccccc4)c3)nc21 64981679 VOFQGBWKKZQQAN-WPWMEQJKSA-N 436.519 5.415 30 10 IKEE CCCCCCCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2CCc2ccccc2)cc1 100139731 GBVBCHVEBWNFIB-MUUNZHRXSA-N 442.603 6.845 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2OC)cc1 169939546 WJGUIIJDLFEHRN-JOCHJYFZSA-N 433.529 5.098 30 10 IKEE CCCCCCCOc1ccccc1-c1nc2ccc3ccccc3c2c2c1CN(C)CC2 169941576 ZTJAQLFYNZMTJA-UHFFFAOYSA-N 438.615 7.392 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc(C)c(C)c2)=C(O)C(=O)N1c1ccc(C)cc1C 169945178 SBZCDOREGQOGEM-VWLOTQADSA-N 441.527 5.712 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@@H]1c1cccc(C)c1 169967395 GHUOJGQLZDWLSJ-SANMLTNESA-N 441.527 5.101 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2cccs2)c(C)c1 169985288 ASJQFMJLVUXDPF-FQEVSTJZSA-N 439.920 5.501 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccnc1 170005452 CQDFKGKDHKLZRF-QFIPXVFZSA-N 444.874 5.573 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@H]2c2cccnc2)cc1C 170009085 HIWIQBVYIABFDR-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccnc2)c1 170012653 HTOZIJYZVQUKKL-XMMPIXPASA-N 438.483 5.223 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccnc2)c1 170012724 DOONUQFXXAKJKV-JOCHJYFZSA-N 432.907 5.130 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccccc2)c1 170054800 GKWBTCONXUIHLB-JOCHJYFZSA-N 433.891 5.127 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccc(F)cc2)cc1 170062517 AEAYWJCFVGCIJN-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccc(F)cc2)cc1 170063271 ZWZILOQNBCBOHW-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccco1)c1cc2ccccc2o1 170098126 LDEOCDWUPXQJJB-HXUWFJFHSA-N 442.452 5.418 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2c2ccccc2)cc1 170113482 XVXVBFZZYQNJFI-RUZDIDTESA-N 439.511 5.357 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccc(C)c2)cc1C 170140702 HBQQUIRVIFYPDU-XMMPIXPASA-N 445.490 5.624 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@@H]1c1cccc(C)c1 170146688 VOVZPRFEJKCYLW-DEOSSOPVSA-N 435.564 5.814 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(Cl)c3)[C@H]2c2cccs2)c1 170156610 ZSBJCBCBRCOEPK-LJQANCHMSA-N 444.339 6.146 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2cccs2)c1 170158303 FCKMVDJWKLAPBK-QFIPXVFZSA-N 433.529 5.547 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(OCC(C)C)cc1 170167299 XUZRACMATDKWSU-NRFANRHFSA-N 427.928 5.363 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccncc2)c1 170202354 GSMBJYSRLKGHNA-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccncc2)cc1C 170203204 GRMGYYJDJMZYGR-DEOSSOPVSA-N 442.515 5.107 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@H]1c1cccc(OCC)c1 170217936 DBCLQHNJUPHYJR-HSZRJFAPSA-N 437.536 5.108 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC)c2)[C@@H]1c1cccc(OCC)c1 170218300 USZKNFFYFYLKET-QHCPKHFHSA-N 437.536 5.253 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1cccc(O)c1)c1ccc2ccccc2c1 170258251 OSVOAQKPLJIOLN-DEOSSOPVSA-N 439.442 5.467 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2C)cc1C 170272250 OUAJHNOZAJDLRW-VWLOTQADSA-N 441.527 5.875 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@H]1c1ccco1 170285889 NOKUVZHDBCMKDB-QFIPXVFZSA-N 431.488 5.305 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1ccco1)c1ccc2c(c1)CCCC2 170296706 LAZSJKCCBOZRHH-XMMPIXPASA-N 445.490 5.119 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(OC(C)C)cc2)[C@H]1c1ccc(N(C)C)cc1 170445377 KOIGMUKJTWCTNE-DEOSSOPVSA-N 436.552 5.055 30 10 IKEE CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(Nc3ccccc3)cc2)[C@@H]1c1ccc(O)cc1 170449912 AZNVESQTIJSEOF-HSZRJFAPSA-N 428.488 5.261 30 10 IKEE CCOc1cc(Br)cc(C=Nc2ccc3oc(-c4ccccc4)nc3c2)c1O 252639569 YMCPRNQLKXTWCB-UHFFFAOYSA-N 437.293 6.112 30 10 IKEE CCSc1nnc(C(F)(F)F)n1N=Cc1ccc(COc2ccc(F)cc2Cl)o1 254417495 ULGHBRWYOHZYHP-UHFFFAOYSA-N 448.829 5.256 30 10 IKEE N#Cc1ccc(Br)cc1OCc1cc(Cl)ccc1I 404920588 HLQZCSJNXQOSRY-UHFFFAOYSA-N 448.485 5.158 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(/C=C\C(=O)Cc2ccc(Br)cc2F)cc1 405940217 SOZDJDSHXQDWQU-WDZFZDKYSA-N 434.305 5.760 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2sccc2C)cc1OC 526486460 LFHYSBKICAVYLD-JOCHJYFZSA-N 446.528 5.393 30 10 IKEE CCOc1ccc([C@@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1OC 526491230 MXAIVHGYJQAPNS-RUZDIDTESA-N 440.499 5.331 30 10 IKEE CCOc1cc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(C)cc2)ccc1OC 526516786 RQVIMEPVEWSHSV-VWLOTQADSA-N 440.499 5.331 30 10 IKEE Cc1ccc([C@@H]2C(c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2c2ccccc2C#N)o1 526607465 QVKCZAANAWHMEH-HXUWFJFHSA-N 425.271 5.824 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2ccc(Cl)cc2Cl)[C@H]1c1cccc(F)c1 526608923 PPPSYAVVMAUGBI-OAQYLSRUSA-N 439.273 6.061 30 10 IKEE CCCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1ccc(C(C)C)cc1 526805125 AQBMZBSUQADCMS-VEILYXNESA-N 448.680 7.216 30 10 IKEE O=[N+]([O-])c1cc(/C=N\n2cnnc2SCc2c(Cl)cccc2Cl)ccc1Cl 526814816 TXWMHPDYGXOXKY-YXSASFKJSA-N 442.715 5.321 30 10 IKEE CCCOc1cccc(/C=N\n2c(CCC)nnc2SCc2c(F)cccc2Cl)c1 526817630 RHLBKUYNCLZSPK-QFEZKATASA-N 446.979 5.986 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1ccc(OCC)c(OC)c1 526819397 VHYMPDNMDPYDDP-MYYYXRDXSA-N 438.597 5.429 30 10 IKEE C=C(CCC=C(C)C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C 642772321 WZAMDSBJONFHAO-XITQMTPZSA-N 426.729 8.335 30 10 IKEE Cc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)c(Br)c1 698968733 WIAKWPKHSHZBLA-SFHVURJKSA-N 435.749 6.417 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)C2(C#N)CCN(C(=O)OCc3ccccc3)CC2)cc1 698988383 PZZGXUGTGZOVAF-UHFFFAOYSA-N 449.551 5.432 30 10 IKEE Cc1cc(I)cc(Nc2ccc(C#N)c(Br)c2F)c1 709815999 JIZMCVNHBKEFIQ-UHFFFAOYSA-N 431.046 5.117 30 10 IKEE COc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(C)c2)cc1Br 710774895 GGQCYOOHBAJOIM-GOSISDBHSA-N 431.330 5.773 30 10 IKEE C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C=Nc2ccc3c(c2)oc2ccccc23)[C@@H](C)C1 1083999040 MYJMTEJTKDRHMF-ROUUACIJSA-N 427.504 6.870 30 10 IKEE CC[C@H](C)c1ccc(OCCOc2c(Cl)cc(Cl)cc2C=Nn2cnnc2)cc1 1565504439 ZRJJEOLWVAPPKB-HNNXBMFYSA-N 433.339 5.438 30 10 IKEE CCCCCCCCCCCCCCCCOc1ccc(C(=O)OC)cc1NCC#N 1614950694 SXCNGFKKRGLXPV-UHFFFAOYSA-N 430.633 7.269 30 10 IKEE N#Cc1cc(-c2c(F)c(F)c(F)c(F)c2F)cnc1-c1c(F)c(F)c(F)c(F)c1F 1848358545 KXQUEMGIYZHHSN-UHFFFAOYSA-N 436.208 5.678 30 10 IKEE Cc1ccc(-c2nn(-c3ccccc3F)cc2/C=N\NC(=S)Nc2ccc(F)cc2)cc1 1857810363 DHJJPQVQIFYIKA-VYYCAZPPSA-N 447.514 5.446 30 10 IKEE CCOc1ccc(/C=C/C(=O)C(=O)N(Cc2ccccc2)c2ccccc2)cc1OCC 1860636375 YTJWCBPMZRJDMC-BMRADRMJSA-N 429.516 5.300 30 10 IKEE N#Cc1cccc(C(=O)N2CCC(c3ccc(OC(=O)CCC4CCCCC4)cc3)CC2)c1 1860705891 NKLJHVMONMZZMJ-UHFFFAOYSA-N 444.575 5.844 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](C)NC(=O)COc1ccc(C)cc1C(C)(C)C 1861626489 RXURFFLCODOYJU-NRFANRHFSA-N 432.649 5.433 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)CCCOc1ccccc1C 1861707647 AHSZRPAXYCMTTC-SANMLTNESA-N 432.649 5.696 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccc(O)c(OCC)c2)cc1 1862396163 BPXCXPUHNCGEMP-QHCPKHFHSA-N 437.536 5.120 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc2cc[nH]c2c1 1862415420 WWROAQCQYAAUTF-JOCHJYFZSA-N 438.474 5.605 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 1862448242 IYCOHWHGAAHFOT-NRFANRHFSA-N 448.862 5.027 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2cccc(Cl)c2)cc1 1862476830 PEICIXOFMANKJD-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)c1 1862488806 IPVQTKMOJHHRBX-IHLLOCCUSA-N 433.548 5.469 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCCCCC2)c1 1862489882 JPOZCKFQNIOLCE-RUZDIDTESA-N 431.576 6.303 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C34CC5CC(CC(C5)C3)C4)[C@@H]2c2ccccc2)ccc1F 1862507501 MTIXMNNCJUXNEF-RZNVFEIWSA-N 445.534 5.681 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862547149 NSSAXCAVHTYKST-QHCPKHFHSA-N 448.519 5.098 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(C(C)C)cc1 1862583912 MKZZMZCNXVAHIQ-NRFANRHFSA-N 446.374 6.351 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2cccs2)cc1 1862596028 KZXJSAHFGWIIML-JOCHJYFZSA-N 449.528 5.021 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(Cl)cc1Cl)c1cccc(O)c1 1862596342 FGIBACBBFMMETA-LJQANCHMSA-N 444.270 5.071 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccccc1F 1862614652 CEWRLRYEGHQRES-OUPRXKBMSA-N 449.566 6.280 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2[C@@H](C)CC)c1 1862622907 PHKPYKNANXFGBE-UUOWRZLLSA-N 449.591 6.150 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(C)cc2)cc1F 1862636615 KQIIKBKHHINOET-QHCPKHFHSA-N 449.453 5.060 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccccc2C)cc1 1862687784 PLSYLEKOAIEORW-DEOSSOPVSA-N 433.548 5.695 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cc(Cl)cc(Cl)c2)c1 1862706590 ZZNMIXDXNIMVFX-FQEVSTJZSA-N 446.330 5.523 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862718139 UKRVGRCGSBVMIK-QHCPKHFHSA-N 444.487 5.517 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc(OCCC)c1 1862718705 BYYSVKRXPKGLEN-XMMPIXPASA-N 427.500 5.393 30 10 IKEE CC(C)(C)c1ccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862768739 DBTZZRYYCBRMEF-UHFFFAOYSA-N 439.490 5.391 30 10 IKEE CSc1cccc(NC2=C(c3ccccc3Cl)C(=O)N(c3ccccc3C#N)C2=O)c1 1863083609 RRQWRPWIQCNSFQ-UHFFFAOYSA-N 445.931 5.330 30 10 IKEE N#Cc1ccccc1NC1=C(c2cccs2)C(=O)N(c2cc(Cl)ccc2Cl)C1=O 1863115164 ZDQBGYBWAZOUBN-UHFFFAOYSA-N 440.311 5.323 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(Nc2ccccc2C#N)=C(c2ccccc2Cl)C1=O 1863452886 XURRPQBTPPQMMH-MRXNPFEDSA-N 427.891 5.165 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCC)=C(c2ccc(Br)cc2)C1=O 1863557593 UNDPBKUVSAMCNZ-UHFFFAOYSA-N 435.406 5.279 30 10 IKEE CCCCCCCCCCNC(=O)Cc1ccc2nc(O)c(Cc3ccccc3)cc2c1 1868193975 RKJASEVBCKTODU-UHFFFAOYSA-N 432.608 6.331 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(C)cc2)cn1Cc1ccccc1F 1870769693 FBMFWDXMYMWIOK-UHFFFAOYSA-N 432.539 5.097 30 10 IKEE O=S(=O)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(OC(F)F)c1 1871281450 TUDUPVGJSBFARJ-UHFFFAOYSA-N 435.292 5.126 30 10 IKEE COc1ccc(CCN2COc3cc(C)c4c(c3C2)O/C(=C\c2sccc2C)C4=O)cc1 1871345534 GTEMYANFOGCJLA-XKZIYDEJSA-N 447.556 5.384 30 10 IKEE Cc1cc(C)cc(OCCN2COc3ccc4c(c3C2)O/C(=C\c2ccccc2F)C4=O)c1 1871347212 HQLXCUYBYAEGNJ-QFEZKATASA-N 445.490 5.290 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O3)CN([C@@H]1CCCC[C@H]1C)CO2 1871351199 PJLDUADOUXZVQW-BPGAJJPESA-N 434.492 5.250 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc(OC(=O)/C=C/c3ccc(F)cc3)c2C)C1=O 1871366208 YHPHQFDMOKIINH-QJYQMIDQSA-N 444.458 5.768 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc5nc(C)c(C)nc5c4)ccc3C2=O)cc1 1871378740 CQOXUGFCHGEPSI-ROTLSHHCSA-N 436.467 5.390 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2OC)C3=O)c1 1871387719 LNKKGHVCRSCHEJ-JLPGSUDCSA-N 444.483 5.628 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OCCCc4ccccc4)cc(C)c3C2=O)c2ccccc21 1871399927 WNRCOKZKHLTTIP-PKAZHMFMSA-N 437.539 6.597 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OCCc4ccccc4)cc(C)c3C2=O)cc1 1871400083 GNELUOGAMRGMBY-ITYLOYPMSA-N 427.544 6.079 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2cccs2)C3=O)cc1 1871411456 OANUDWBOKWKDDV-VOMLJKFNSA-N 433.529 5.641 30 10 IKEE CC(=O)c1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871422559 QWIVYFOPLIUMHI-CFRMEGHHSA-N 441.483 5.140 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4c(C)cccc4C)cc(C)c3C2=O)c1 1871430055 AULISNSRVUTHCZ-CFKHXJFWSA-N 441.527 5.942 30 10 IKEE CCOC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\c2cn(C)c4ccccc24)C3=O)o1 1871439381 WGTQGCDKRPQMQC-MSXFZWOLSA-N 443.455 5.143 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccccc1F)C2=O 1871440303 ILKANLKAJLRJOW-XKZIYDEJSA-N 431.463 5.385 30 10 IKEE Cc1cc(OCCN2CCCCC2)cc2c1C(=O)/C(=C/c1cccc(Br)c1)O2 1871451396 SRCMJMBAFSSPKX-STZFKDTASA-N 442.353 5.238 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(Cl)cc2C)[nH]c(N(CCC)CCC)n1 1871568562 YCMVIAJMNMFQQU-UHFFFAOYSA-N 447.071 6.398 30 10 IKEE COc1ccc(OC)c(-c2csc([C@@H](C#N)C(=O)c3ccc(OCC(C)C)cc3)n2)c1 1872770679 BZUDBUQZVFLIAG-FQEVSTJZSA-N 436.533 5.352 30 10 IKEE COc1ccc(C)cc1-c1csc([C@H](C#N)C(=O)c2ccccc2Br)n1 1872771392 SYYRGTBNUXJDHK-OAHLLOKOSA-N 427.323 5.380 30 10 IKEE COc1ccc(C)cc1-c1csc([C@@H](C#N)C(=O)Cc2cc(Cl)ccc2Cl)n1 1872772791 SZEISHSTGJNCMI-INIZCTEOSA-N 431.344 5.853 30 10 IKEE Cc1cccc(C)c1OCCCC(=O)[C@H](C#N)c1nc(-c2cccc3ccccc23)cs1 1872775330 NRCINIFRBLQNCT-QHCPKHFHSA-N 440.568 6.616 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(OC(C)C)cc3)n2)cc1Cl 1872785064 DOYMEVBMXRWUPE-GOSISDBHSA-N 440.952 5.678 30 10 IKEE COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1OC 1872785073 DWBYTWJRDJIPAZ-LJQANCHMSA-N 434.561 5.923 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)c2ccc(C(C)(C)C)cc2)n1 1872785914 BUDGHZSGZLZALS-IBGZPJMESA-N 438.980 6.568 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc2nc(COc3c(C)ccc(C)c3C)[nH]c2c1 1872810741 AEAQSGHYEZXMNW-UHFFFAOYSA-N 449.639 6.938 30 10 IKEE CCOc1ccccc1NC(=O)c1ccc(CSc2nc(C)c(C)c(C)c2C#N)cc1 1872895468 VXQAZAUOOCWHAC-UHFFFAOYSA-N 431.561 5.822 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCc2ccccc2)=C(c2ccccc2C)C1=O 1873106433 FFUBLPGGTOIFAG-UHFFFAOYSA-N 432.608 5.658 30 10 IKEE CCCCCCCCNC1=C(c2ccc(F)cc2)C(=O)N(C2CCCCCCC2)C1=O 1873137390 TZCCPQYIIYCNHH-UHFFFAOYSA-N 428.592 5.969 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(Cl)cc(Cl)c2)=C(c2ccccc2)C1=O 1873415467 RGPNFHVQPFRSNE-UHFFFAOYSA-N 445.390 6.546 30 10 IKEE C=CCn1c(C(=O)Nc2ccccc2)cc2c(NCCCCc3ccccc3)ncnc21 1873619622 QKFCVGKBRMKIAW-UHFFFAOYSA-N 425.536 5.304 30 10 IKEE CCCCCCCCNC(=O)c1ccc2nc(NS(=O)(=O)c3ccccc3)sc2c1 1873886371 SFKFYYSYYPZJOT-UHFFFAOYSA-N 445.610 5.187 30 10 IKEE Cc1nc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(-c2ccc(F)cc2)s1 1874180625 HVRXLISHHBTTCK-UHFFFAOYSA-N 448.363 6.548 30 10 IKEE CCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccccc1 1874192491 BOSLKUTZHZBDPR-BUVRLJJBSA-N 428.989 5.554 30 10 IKEE CCSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1cc(C)ccc1O 1874204625 LUOBFPDAZRDHFF-LSHDLFTRSA-N 437.352 5.172 30 10 IKEE CCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1c[nH]c2ccccc12 1874230676 WMGQVKSNHUKEBF-WYMPLXKRSA-N 425.945 5.294 30 10 IKEE C=CCSc1nnc(CCc2ccccc2OC)n1/N=C/c1cccc(OCCC)c1 1874313662 HFIXRIBIZCYFDS-XIEYBQDHSA-N 436.581 5.021 30 10 IKEE COc1ccccc1CCc1nnc(SCc2ccccc2F)n1/N=C/c1ccccc1 1874314306 MRNJQPYWBQDKDA-WPWMEQJKSA-N 446.551 5.386 30 10 IKEE Cc1cccc(CSc2nnc(CCc3cccs3)n2/N=C/c2ccccc2O)c1 1874370019 DCWCSMRMBHSWEM-BUVRLJJBSA-N 434.590 5.313 30 10 IKEE CCc1ccc(/C=N/n2c(Cc3ccc(C)cc3)nnc2SCc2cccc(C)c2)cc1 1874388510 PIKRUORIUMDOIV-MTDXEUNCSA-N 440.616 6.223 30 10 IKEE Cc1ccc(/C=N/n2c(Cc3ccc(C)cc3)nnc2SCc2cc(C)ccc2C)cc1 1874388959 DISNWKPLKSZTIK-OGLMXYFKSA-N 440.616 6.277 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@@H](C)c3ccccc3)n2/N=C/c2cccn2C)c1 1874398776 DTSONAVFTCEBCE-NTRYICDMSA-N 429.593 5.560 30 10 IKEE CCSc1nnc(-c2ccccc2)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874427654 UNZCLTVCYJTFIT-WGOQTCKBSA-N 448.979 6.172 30 10 IKEE Clc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CCCC2)cc1 1874455699 GUGQPFBVCVMBPA-ZMOGYAJESA-N 431.392 6.417 30 10 IKEE Clc1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2cccnc2)cc1Cl 1874457254 IPMGKVWZGJMRDA-WYMPLXKRSA-N 432.380 5.812 30 10 IKEE COc1cc(/C=N/n2c(SC)nnc2C(C)(C)C)ccc1OCc1ccc(Cl)cc1 1874480969 OEZYQJBVCTXUPV-ZMOGYAJESA-N 444.988 5.421 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(SCc2ccccc2C)nnc1C(C)(C)C 1874483058 BTOLHTAWPPCYKW-JVWAILMASA-N 444.604 6.220 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C(C)(C)C)c1 1874485523 ADKFDZWOEFNFET-WYMPLXKRSA-N 449.407 6.066 30 10 IKEE COc1cccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C2CCC2)c1 1874496467 NSSNADIRCIFZQM-WYMPLXKRSA-N 447.391 6.036 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(O)c(OCC)c1 1874510259 JOSBCOIQIKBOOV-YDZHTSKRSA-N 430.961 5.163 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2c(Cl)cccc2Cl)nnc1C(C)C 1874514224 NUQHGMNVRKDCSU-FOKLQQMPSA-N 435.380 5.891 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccccc3C)nnc2C2CC2)cc1OCC 1874518033 XOBJJFRRVMPCPQ-MFKUBSTISA-N 436.581 5.436 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccccc2Cl)c1OCc1ccc(Cl)cc1 1874574697 AGAMAMRYOINPHL-DHZHZOJOSA-N 447.745 7.131 30 10 IKEE COc1cc(Br)cc(/C=C/C(=O)c2ccccc2)c1OCCc1ccccc1 1874578579 VPVHKBUGZBDCHF-OUKQBFOZSA-N 437.333 5.975 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(OC)c1OCc1ccccc1Cl 1874605938 NECCAMZHWZIOPY-BUHFOSPRSA-N 448.946 6.561 30 10 IKEE O=C(/C=C/c1ccc(OCCc2ccccc2)c(Br)c1)c1cccc(Cl)c1 1874612115 CJFNKMMGARSBII-PKNBQFBNSA-N 441.752 6.620 30 10 IKEE CCCN(CCC)C(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(C)cc2)cc1OC 1874616023 HDMXKCCIJAYWCI-FMIVXFBMSA-N 443.971 5.581 30 10 IKEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3cc(C)ccc3OC)cc2Cl)o1 1874619482 CPMBHIYKJKNBAK-VMPITWQZSA-N 440.879 5.512 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 1874694541 ISANEKUKERBFNV-OQLLNIDSSA-N 444.527 6.117 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3c(F)cccc3Cl)c2)cc1 1874694615 MECPOYDPAJCREX-UKTHLTGXSA-N 438.882 6.165 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCCOc3ccc(C)cc3)c2)cc1C 1874696336 SZFSAAJDEHHRQN-RVDMUPIBSA-N 444.527 5.973 30 10 IKEE O=C(CCOc1ccccc1)Oc1cccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1 1874718940 RYMHJVQRVVWMCC-FMIVXFBMSA-N 441.310 6.264 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc(Cl)c1OC(=O)CC(C)(C)C 1875108270 HAWQTQBLCXXUOF-CSKARUKUSA-N 444.955 6.293 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2Cl)cc(OC)c1OC(=O)c1ccccc1C 1875110377 IAOXRGQBPVKSGV-CCEZHUSRSA-N 446.930 6.501 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CSc3ccccc3)c([N+](=O)[O-])c2)cc1 1875114115 KZPUKSAIYDKLJO-NTUHNPAUSA-N 449.484 5.197 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)CC(C)(C)C)c(Br)c1 1875118802 PMQDMOCGBQYDJJ-PKNBQFBNSA-N 431.326 5.695 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC(=O)c1cccc(Cl)c1 1875121885 AMIHNFQYMKYFNC-UXBLZVDNSA-N 442.845 6.132 30 10 IKEE Cc1ccccc1CCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1 1875134049 KIUFCKVGNLLAOH-RIYZIHGNSA-N 439.338 6.736 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3OC)cc2OC)cc1 1875144162 HUGGWRPFCGCIKY-XYOKQWHBSA-N 446.499 5.065 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1OC(=O)c1cccs1 1875159800 LOVXIDULCVKCJI-BJMVGYQFSA-N 441.436 5.309 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)C1CCCC1 1875164164 WDZULWFSQPGPLT-JXMROGBWSA-N 434.866 6.009 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)c(F)c3)c(Cl)c2)c(C)c1 1875183373 XFYUXMLCKMSZBU-XBXARRHUSA-N 440.873 6.659 30 10 IKEE N#Cc1ncccc1OCC1CN(C(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)C1 1891444557 WTXXFXZAAIPYKY-UHFFFAOYSA-N 438.314 5.078 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCC)c2ccc(Br)c(Cl)c2F)C1 1892677576 MMHVANVBQMFGKU-MRXNPFEDSA-N 447.776 5.506 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCC)c2cc(C)cc(Br)c2F)C1 1892694666 GTFGJCDYBPZMFU-KRWDZBQOSA-N 427.358 5.161 30 10 IKEE CCCN[C@H](C#CC1(SC)CC1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 1899969752 JXMBJXWJBZLZAM-QFIPXVFZSA-N 430.658 5.471 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1sccc1I 1922069339 PVUREYAIAPXTSE-KRWDZBQOSA-N 427.351 5.166 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 1922112890 OXXQKMMWPIKFPI-ZODMCCGTSA-N 438.612 5.640 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)C1(C)C 1947967057 BBBGPBVSVDRELM-HSZRJFAPSA-N 449.979 5.763 30 10 IKEE C=CCC[C@@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(C)C)C(=O)O 1958048923 WAQOGHWFSRPYAP-RPLLCQBOSA-N 435.564 5.997 30 10 IKEE CC[C@H](C(=O)O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(C#N)c1 1979576182 ZXQJGRKZYGGZQK-DFBJGRDBSA-N 440.499 5.249 30 10 IKEE C#Cc1ccc(NC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)cc1 1984724355 NNYWFURJZNKNFS-SANMLTNESA-N 438.527 5.170 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)C1CC1 2009354023 FLUMOFYORWZJJE-GOTSBHOMSA-N 430.633 5.457 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]12CC[C@@](C)(CN1C(=O)OC(C)(C)C)C2 2022160334 RFYWTWMBMHSBHC-DFCKQENNSA-N 428.617 5.307 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@](C)(C#N)[C@H]1CCCSC1 2029445230 ZPRIQKKCQUTTNH-LIRRHRJNSA-N 425.392 5.616 30 10 IKEE Cc1sc(Cl)cc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2036891529 FYSKVPZVAYUYDU-OAHLLOKOSA-N 441.778 6.479 30 10 IKEE Cc1c(Cl)cc(CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)cc1Br 2048639713 HYQANOVGFRDLSL-UHFFFAOYSA-N 427.770 5.494 30 10 IKEE C=C(C(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)c1ccccc1 2076578456 LRZMOJSTKLDCIO-UHFFFAOYSA-N 434.580 5.219 30 10 IKEE Cc1ccc([C@H](C(C)C)n2nc(C(F)(F)F)c(C#N)c2I)cc1C 2079004431 RKAMPDJSVYIDNL-AWEZNQCLSA-N 447.242 5.240 30 10 IKEE CC(C)Oc1ccc([C@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C(C)(C)C)cc1 2080058213 UYUAPBUDUJQGJC-IBGZPJMESA-N 448.405 5.928 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(Cl)cc(Br)c1 2088228554 XBKAYDRBRNHIEP-SFHVURJKSA-N 435.749 6.417 30 10 IKEE C=CCN(C[C@H](NCCC)c1c(Br)ccc(Cl)c1F)C(=O)OC(C)(C)C 2098958314 GGFJORRYBJBDCN-HNNXBMFYSA-N 449.792 5.705 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1CCCNc1cc(Br)c(C#N)cc1F 2106036410 JNLVZMZKIXOPSL-AWEZNQCLSA-N 426.330 5.051 30 10 IKEE CC(C)(C)OC(=O)NCC1(Nc2ccc(C#N)c(Br)c2F)CCCCC1 2106103119 ASLUVXIXHHJUHQ-UHFFFAOYSA-N 426.330 5.099 30 10 IKEE CC1(C)OB(c2cnc(N(Cc3ccccc3)C3CCCC3)c(C(F)(F)F)c2)OC1(C)C 2116144976 IZLUTWNYBITHGZ-UHFFFAOYSA-N 446.322 5.349 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)[C@@H]1[C@@H]2CCC(F)(F)[C@H]21 2119359423 NZSZCUJGBCOPRO-XUWVNRHRSA-N 427.289 5.374 30 10 IKEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1cc(Br)ccc1Cl 2124449519 QSPAUYOHNMSFRB-CQSZACIVSA-N 444.757 5.018 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)C1(C#N)CCCCCCCCC1 2153459389 ZYCRDHVZPZZHGA-UHFFFAOYSA-N 435.406 6.977 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@@H]2Nc2ccc(C#N)cc2Br)C1 2156237765 XMFZLGXKVSUQGY-RXVVDRJESA-N 434.378 5.302 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1ccc(-c2ccc(Br)cc2)s1 2164106610 DEBRADWPFQOXJF-HSZRJFAPSA-N 442.422 6.601 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@](C#N)(Nc3ccccc3Br)C[C@H]21 2166974110 PPJLOTPDRDCVJU-FPDPHYFHSA-N 434.378 5.323 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CC[C@H]2CCCN[C@H]2C1 2166985293 SSQNXCSZKJVAGN-FYINFDKHSA-N 434.378 5.005 30 10 IKEE CC(C)(C)CN(CCC#N)C(=O)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2181045635 HZNBSESZNZMSND-UHFFFAOYSA-N 438.366 5.198 30 10 IKEE C=C([C@@H](NC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)C(C)(C)C 2229112985 FGADKHQVDJMENJ-ZWKOTPCHSA-N 425.411 5.075 30 10 IKEE CC(C)(C)OC(=O)N1CCC(C(C)(C)C(=O)C#Cc2ccccc2Br)CC1 2235715307 ABHXPIZJYAWUIK-UHFFFAOYSA-N 434.374 5.043 30 10 IKEE CCCc1cc(N2CCN(CC=Cc3ccccc3)CC2)n2c(nc3ccccc32)c1C#N 2293757832 FCEFWHRASFUUNO-UHFFFAOYSA-N 435.575 5.147 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(-n3ccnc3)cc2)cc1COc1ccccc1Cl 2294901397 KCKPOSIZDNSFLY-UHFFFAOYSA-N 444.918 6.009 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)CC 2296217101 QQEGIMCYZMXPJE-FFZOFVMBSA-N 437.422 5.108 30 10 IKEE Oc1ccc(N=CC=Cc2ccc(Br)cc2)cc1-c1nc2ccccc2s1 2297174989 PVZCVHBQXAGIBJ-UHFFFAOYSA-N 435.346 6.847 30 10 IKEE CCCN1C(=O)C(=Cc2ccc(OCC(C)C)c(OCC)c2)SC1=Nc1ccccc1 2297462075 YQYIDYWBMUZUQE-UHFFFAOYSA-N 438.593 6.134 30 10 IKEE O=[N+]([O-])c1ccccc1C=CC=Nc1ccc2oc(-c3cccc(Br)c3)nc2c1 2297532479 FDRTWJYYQPDZSR-UHFFFAOYSA-N 448.276 6.581 30 10 IKEE CN=C1SC(=Cc2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C(=O)N1C 2313557055 SCAJNEYVTVEYFR-UHFFFAOYSA-N 430.360 5.528 30 10 IKEE O=C(C=Cc1ccc(Cl)cc1Cl)c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 2314429702 MPCMRWPMBIQGPW-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE CCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=Nc1nc(-c2ccccc2)cs1 2314543799 MMGSTRJSSDRTEA-UHFFFAOYSA-N 435.530 5.163 30 10 IKEE N#Cc1ccccc1CSc1cc(I)ccc1Br 2316473549 XRGLCJSFQADIRK-UHFFFAOYSA-N 430.108 5.218 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CC[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C)NCCC 2320761094 ANKYZDWCVLMRBA-SMIHKQSGSA-N 444.660 5.847 30 10 IKEE CCCc1nnc(SCc2c(Cl)ccc(Cl)c2Cl)n1N=Cc1ccc(C)[nH]1 2321762365 BCWQTAZMRSBYBM-UHFFFAOYSA-N 442.803 6.002 30 10 IKEE COc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCc2ccccc2)C4)cc1 2321936796 CRZPAGXPWJUHLJ-UHFFFAOYSA-N 427.500 5.014 30 10 IKEE CCOc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(Cc1cccs1)C3 2321968117 BUXILQDIMLPCJF-UHFFFAOYSA-N 433.529 5.424 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Br)cc(Br)c2OC)c1 2322371748 AOJJUBYAHQEOKW-UHFFFAOYSA-N 426.104 5.125 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)CCCOc3ccccc3C)ccc2C1=O 2323173017 VAGLZSWTSXVQLD-UHFFFAOYSA-N 428.484 5.684 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCc3cccc(Cl)c3)c2)c2ccccc12 2323331499 KBLLUBKIPTVDNN-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1 2323466001 DKJFYNJVACLBDD-UHFFFAOYSA-N 439.324 6.626 30 10 IKEE Cc1c(OC(=O)COc2ccc(Cl)cc2)ccc2c1OC(=Cc1ccc(F)cc1)C2=O 2323533068 QOOQNJGCHCRBLI-UHFFFAOYSA-N 438.838 5.388 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 2323536140 QFPQFQOKDYZVTF-UHFFFAOYSA-N 439.382 7.811 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)cc([N+](=O)[O-])c1OCc1ccccc1 2323640941 FJLNOYTUJSOVDX-UHFFFAOYSA-N 433.460 5.477 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc2C1=O 2323701589 ZABZJOFMBDWBDB-UHFFFAOYSA-N 441.848 5.454 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1ccc(Cl)cc1 2323790301 KCEZSCVWRLLYRE-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE CCCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccco2)C3=O)c1 2323921247 HUKASEOVIRSZBF-UHFFFAOYSA-N 432.428 5.129 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2cc(OC)c(OCCC)c(OC)c2)cc1 2324208839 VWQDGFLDANFYTA-UHFFFAOYSA-N 440.580 6.738 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(F)c(F)c3)cc2Cl)cc1 2324241562 KCMXOAQPZRYGMM-UHFFFAOYSA-N 441.861 5.840 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OCc3cccc(C)c3)c(Cl)c2)cc1C(C)C 2324262345 XOPOQMXCIBLRGQ-UHFFFAOYSA-N 448.990 7.564 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OCc1ccccc1C 2324306747 LRYGLVNGLSGMRS-UHFFFAOYSA-N 430.544 6.494 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)c(Cl)c2)cc1C 2324441731 MUWZWRCGCOBRNV-HXUWFJFHSA-N 447.962 6.109 30 10 IKEE Cc1cc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(Cl)cc3Cl)n2)ccc1F 2324564120 YGYICHGXUJQKLP-MRXNPFEDSA-N 431.319 6.454 30 10 IKEE CC(C)c1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc4c(c3)OCCO4)n2)cc1 2324647818 PHKHHRAQSYFUOO-FQEVSTJZSA-N 430.529 5.594 30 10 IKEE CC(C)(C)c1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1 2324672819 RKFUSHADMXDDNG-FQEVSTJZSA-N 425.557 6.479 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)c(C)c1 2324890972 VZLMFLNPXBQZEB-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(O[C@H](C)C(=O)Nc4ccc(C#N)cc4)c3C)C2=O)cc1 2325306951 SIHUGXPUTQLENO-GOSISDBHSA-N 438.483 5.197 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCC(=O)Nc4ccc(Cl)cc4F)ccc3C2=O)c1 2325490302 ZAXPJBVALUCQKQ-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1cccc(OC)c1 2325571686 IQJUTZVNDPIVIV-UHFFFAOYSA-N 435.380 5.721 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1cccc([N+](=O)[O-])c1 2325571948 CACHCSCQDMWKLT-UHFFFAOYSA-N 433.896 5.106 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccccc1[N+](=O)[O-] 2325571987 QMHBHWHRBKLZMF-UHFFFAOYSA-N 433.896 5.106 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1cc(OC)ccc1OC 2325572154 NRODZDBJCRTAFY-UHFFFAOYSA-N 448.951 5.215 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cccc(OC(=O)c3cccc(Oc4ccccc4)c3)c2)c1 2325740625 QUXGQCIIBICSOO-UHFFFAOYSA-N 448.518 7.211 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccc(C)cc3)c2)cc1F 2325747773 FFUFLBSXGUMSEH-UHFFFAOYSA-N 434.463 5.196 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC(=O)c2ccc(Cl)cc2)c1 2325752471 BESKHHZVURACOA-UHFFFAOYSA-N 448.946 6.761 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccccc3C)c2)c(OC)c1 2325760883 FINRZZPRCREWOI-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE C=CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1sccc1C 2325905669 XHJYRQAQJWAUGK-UHFFFAOYSA-N 440.638 5.993 30 10 IKEE CCCSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1ccc(OC)cc1 2326341698 KQRKZYMEPOJSKH-UHFFFAOYSA-N 438.597 5.245 30 10 IKEE COc1c(Cl)cc(C=Nn2c(C)nnc2SCc2cccc(Cl)c2)cc1Cl 2326467753 QJYJVFJUUIWYFX-UHFFFAOYSA-N 441.771 5.730 30 10 IKEE CCCc1ccc(OCc2nnc(SCC)n2N=Cc2cn(C)c3ccccc23)cc1 2327351943 KDHZLIRKJKTGFJ-UHFFFAOYSA-N 433.581 5.296 30 10 IKEE O=[N+]([O-])c1ccccc1Cc1nnc(SCc2ccccc2)n1N=Cc1ccccc1F 2328486080 AZSQQZHDOIXHKW-UHFFFAOYSA-N 447.495 5.091 30 10 IKEE Cc1cccc(CSc2nnc(CCOc3ccccc3)n2N=Cc2sccc2C)c1 2329167515 ZRBLJNOFPSTOMB-UHFFFAOYSA-N 448.617 5.752 30 10 IKEE Cc1ccccc1C=Nn1c(Cc2ccccc2F)nnc1SCc1ccccc1C 2329703364 IOGZXNOUURPULR-UHFFFAOYSA-N 430.552 5.799 30 10 IKEE C=C(C)CSc1nnc(CC2CCCCC2)n1N=Cc1c(OC)ccc2ccccc12 2330269808 VWWAELJAOCGBPZ-UHFFFAOYSA-N 434.609 6.113 30 10 IKEE Clc1ccc(CSc2nnc(Cc3cccs3)n2N=Cc2ccc[nH]2)c(Cl)c1 2330438514 GYXOHCNDBSJHJF-UHFFFAOYSA-N 448.404 5.740 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2ccc(C)cc2)nnc1-c1cccs1 2330530569 BMKWKQLMRHZLNX-UHFFFAOYSA-N 446.601 6.054 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1OC 2330707486 HFDYMLVIMJJDNO-UHFFFAOYSA-N 444.527 6.117 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)cc1 2330738687 DDZOWLKESAZFBI-UHFFFAOYSA-N 439.338 6.600 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(CC(C)(C)C)n2N=Cc2ccccc2C)c1 2330802164 HFBXOVUKIIOFOK-UHFFFAOYSA-N 449.624 5.405 30 10 IKEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccccc1Cl 2331047119 XXTWAQVOOPGUIC-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2[N+](=O)[O-])cc1 2331146249 KZKKDBXJVLETPN-UHFFFAOYSA-N 435.863 5.601 30 10 IKEE COc1cccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C(F)(F)F)c1 2331154835 OQOWBAUIUGRACJ-UHFFFAOYSA-N 426.851 5.133 30 10 IKEE CCOc1cccc(C(=O)Oc2c(Cl)cc(C=CC(=O)c3ccccc3)cc2OC)c1 2331159847 YWAUDWROKVPAJV-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc(Br)c1OC(=O)c1ccco1 2331182537 AEMOEGYOSTTXLI-UHFFFAOYSA-N 441.277 5.556 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3F)c(OC)c2)cc1 2331311535 RRZQBMHVUAGIQR-UHFFFAOYSA-N 448.490 5.667 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 2331412690 XSQLKEUSHUSECF-UHFFFAOYSA-N 442.555 6.427 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc([N+](=O)[O-])c1OC(=O)CC 2331418466 SKNCZZCOEGZAPR-UHFFFAOYSA-N 425.481 5.503 30 10 IKEE Cc1ccc(C=Nn2c(CC(C)C)nnc2SCc2ccc(Cl)cc2Cl)cc1 2331471762 FJNNRAIGYQXOEJ-UHFFFAOYSA-N 433.408 6.266 30 10 IKEE Cc1cccc(CSc2nnc(C3CCC3)n2N=Cc2cccc(Br)c2)c1 2331498251 XDCJDHJHVXBMFN-UHFFFAOYSA-N 441.398 5.791 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)c1cncc(C)c1 2331532158 FLQNJFONIOTWSQ-UHFFFAOYSA-N 439.870 5.697 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)CC(C)C)c(Cl)c2)cc1C(C)C 2331575437 RHKUVXRFKXUVRW-UHFFFAOYSA-N 428.956 6.628 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3)c(Cl)c2)c(C)c1C 2331612974 CXONVVNHIVQZTB-UHFFFAOYSA-N 438.882 6.220 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1cccc(F)c1 2331653564 CGOWCJMMISHWGE-UHFFFAOYSA-N 446.518 6.573 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3)cc2)c1 2331673972 NVESAZFJJCNLGG-UHFFFAOYSA-N 444.527 5.918 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2OC)c1 2331715202 QXCOCXTXYFSWLP-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2ccc(OC(=O)c3cccs3)cc2)cc1Cl 2331804766 AXHVNTICMYLOGL-UHFFFAOYSA-N 433.312 6.179 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1Cl)c1ccncc1 2331860014 GBYYVODOKRSYFM-UHFFFAOYSA-N 432.690 6.157 30 10 IKEE CCOc1ccc(C=NNc2oc(Cc3cccc4ccccc34)nc2C#N)cc1OCC 2331932734 QHNUFKUPQAQMTC-UHFFFAOYSA-N 440.503 5.534 30 10 IKEE C[C@@H](N(C)C(=O)OC(C)(C)C)C(C)(C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339597598 SJCBHGQGKWVDRT-QGZVFWFLSA-N 446.397 5.139 30 10 IKEE Cc1cc(COc2ccc(Br)c(Cl)c2)ccc1B1OC(C)(C)C(C)(C)O1 2369684700 USGBMKZMGZKCFF-UHFFFAOYSA-N 437.570 5.289 30 10 IKEE C#CCOc1c(Cl)cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl 2164783 RNZFBYOSZMLDMB-CXUHLZMHSA-N 438.719 5.900 30 10 IKEE COc1ccc([C@@H]2C3=C(C[C@@H](c4cccs4)CC3=O)Nc3nc4ccccc4n32)cc1 17095485 DGRSBUVZBMAPHZ-VOIUYBSRSA-N 427.529 5.522 30 10 IKEE Cc1nc2n(n1)[C@H](c1cc(F)cc(F)c1)C1=C(C[C@@H](c3ccc(C(C)C)cc3)CC1=O)N2 17098813 ZQVPXGXHBISGGP-MZNJEOGPSA-N 434.490 5.404 30 10 IKEE O=C1/C(=C/Nc2ccccc2F)S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccsc21 20575731 QALWZCUVRFWZPP-WQRHYEAKSA-N 448.928 5.027 30 10 IKEE O=C(CCSc1n[nH]c(N/N=C/c2ccccc2)n1)N(c1ccccc1)c1ccccc1 21036850 KBFYCXMPXWCRRQ-XIEYBQDHSA-N 442.548 5.098 30 10 IKEE Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc3ccccc3c2)cc1 21219919 DJQQAKIYSPZZMV-HLADLETHSA-N 430.551 7.128 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)c(Cl)c2)cc1 21224874 YIXMEADIHICXIO-WMZOPIPTSA-N 444.358 5.787 30 10 IKEE Cc1cc(O)c(CN(CC(C)C)CC(C)C)c2c1C(=O)/C(=C\c1cc3ccccc3o1)O2 37857967 OQJAVNIHGRVLGU-WYMPLXKRSA-N 433.548 6.177 30 10 IKEE C=CCOc1ccc([C@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCCCC)cc1 38592553 XDWJTUFJAIZMTB-DEOSSOPVSA-N 431.532 5.710 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc21 38707839 RKUXSNXYWLTDLW-UHFFFAOYSA-N 426.516 5.544 30 10 IKEE CCCN(CCC)Cc1c(O)cc(C)c2c1O/C(=C\c1cn(C)c3ccc(OC)cc13)C2=O 41584465 OULIZCMTDAGSRS-CFRMEGHHSA-N 448.563 5.439 30 10 IKEE CCCCOc1cccc([C@H]2C(C(C)=O)=C(C)Nc3nc(SCc4ccccc4)nn32)c1 54644177 WBAKQVIJRNPPPC-QHCPKHFHSA-N 448.592 5.627 30 10 IKEE CC/C(C)=N/Nc1nc2cc(C)c(NC(=O)c3ccc(Cl)cc3Cl)c(C)c2s1 78397736 APVUVRCLCYSJIR-OPEKNORGSA-N 435.380 6.670 30 10 IKEE CC/C(C)=N/Nc1nc2cc(C)c(NC(=O)COc3ccc(Cl)cc3)c(C)c2s1 78400637 RAQAAGUTQYEYAV-DHRITJCHSA-N 430.961 5.782 30 10 IKEE CCCCCCCOc1ccc(NC(=S)NC(=O)Cc2cccc3ccccc23)cc1 100155582 QPUHEDQDDJMFGG-UHFFFAOYSA-N 434.605 6.245 30 10 IKEE CCCCCCCC(=O)NC(=S)N1CCN(C(c2ccccc2)c2ccccc2)CC1 100170809 KVEJMMJYMYHDEB-UHFFFAOYSA-N 437.653 5.155 30 10 IKEE CN1C(=O)C[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)S/C1=N\c1ccc(Cl)cc1 100263692 RXJZOCWFXMJWKJ-VKWHMPGMSA-N 442.755 5.237 30 10 IKEE Cc1cccc(/N=C2\Sc3nc4cc(C)c(C)cc4cc3CN2CCN2CCOCC2)c1 101496791 NYSVQHZAZUFJAQ-RQZHXJHFSA-N 446.620 5.088 30 10 IKEE CCCCCCCCCCCC(=O)N[C@H](CCC(=O)O)C(=O)N(CCCC)CCCC 114134184 PKGIJUSIJXTQFL-JOCHJYFZSA-N 440.669 5.686 30 10 IKEE COc1c(Br)cc(/C=N\Nc2nc3ccccc3s2)cc1Br 169890416 IQJCNUHBHYBPBJ-LSCVHKIXSA-N 441.148 5.276 30 10 IKEE CCCN1C(=S)N[C@@H](c2cc(Cl)c(OCC(C)C)c(OCC)c2)C(C(C)=O)=C1C 169930345 MINNGEYXBBHPRE-FQEVSTJZSA-N 439.021 5.278 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2cccc(C)c2)c1 169930634 XZNIJVIHTIDIIY-XMMPIXPASA-N 427.500 5.403 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2c2cccc(C)c2)c1 169930814 QFIXBZBWDOIYBP-XMMPIXPASA-N 443.499 5.104 30 10 IKEE COc1cc(/C=N\Nc2nc(-c3ccc(C)cc3)cs2)cc(Br)c1OC 169942321 FSIVQUGMYIUCEV-FBHDLOMBSA-N 432.343 5.344 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccccc2OC)cc1 169943801 MWFDJBSVRRIDTC-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2cccnc2)cc1 170002725 HZSLHAJNPFCMFB-AREMUKBSSA-N 448.522 6.141 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2ccccc2)c1 170046993 JDODJNWQFMJVCW-RUZDIDTESA-N 441.527 5.875 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@@H]2c2ccco2)s1 170091053 CZOCEDOZMYSPOH-LJQANCHMSA-N 436.533 5.433 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C2CCCCC2)c1 170119235 XOAKOMQJUIDADP-RUZDIDTESA-N 445.559 5.485 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(O)cc2)c1 170135522 JRYWDAPMRAIWOF-DEOSSOPVSA-N 449.547 5.338 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)c(Cl)c1 170220138 UHWUYJUOJBEPAE-KRWDZBQOSA-N 440.710 5.341 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccccc1)c1cccc2ccccc12 170234283 VECSQNADQHVSQO-RUZDIDTESA-N 437.470 5.757 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(F)cc2)c1 170238160 XYHHGXYBDUEOMH-QFIPXVFZSA-N 435.426 5.146 30 10 IKEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(C4CCCCC4)[C@@H]3c3ccc(F)cc3)ccc2O1 170242421 PSXBIRFYBBIENZ-IQMFZBJNSA-N 435.495 5.060 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@H]1c1ccccc1F 170253200 LMUUGXLGPMYBGL-HSZRJFAPSA-N 439.527 5.726 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccco2)c(OC)c1 170280960 ACNJEEZENCFJQL-HSZRJFAPSA-N 447.487 5.203 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccco2)c1 170282976 INIDHTZNXWBNNQ-LJQANCHMSA-N 438.277 5.133 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1c1cccc(F)c1 170313684 NDQGVJOFXAVGDL-QFIPXVFZSA-N 443.499 6.132 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@@H]1c1sccc1C 170318904 SYZNAOOHWPSFHD-MRXNPFEDSA-N 434.355 5.116 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1cccc2ccccc12)c1ccco1 170370641 QHLNEOCPAAPLAX-QFIPXVFZSA-N 429.859 5.869 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(OC(C)C)cc1 170473344 JIFOIEGIDSUEMJ-RUZDIDTESA-N 449.591 6.287 30 10 IKEE Cc1nc(SCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)c2ccccc2n1 248122090 VLLAGJMBBCAKDF-UHFFFAOYSA-N 445.523 5.087 30 10 IKEE C=CCN1C(=O)/C(=C2/Sc3ccccc3N2C)SC1=Nc1ccc(Cl)c(Cl)c1 252626658 RCXMEQWTKYVIIY-LNRIGYFWSA-N 448.400 6.154 30 10 IKEE O=C1/C(=C/c2ccc(Br)o2)SC(=Nc2ccccc2)N1c1ccccc1 252627218 RPATUCQHNBLEPW-RPAYCJQNSA-N 425.307 5.851 30 10 IKEE C=CCn1c(SCC(=O)OC/C=C/c2ccccc2)nnc1-c1ccc2ccccc2c1 253577406 XAPHJKLDVAWBMU-DHZHZOJOSA-N 441.556 5.633 30 10 IKEE O=[N+]([O-])c1ccc(Oc2ccc(C=Nc3ccc4c5c(cccc35)CC4)cc2)c([N+](=O)[O-])c1 254380416 PCLIVJRCMFJDCY-UHFFFAOYSA-N 439.427 6.298 30 10 IKEE O=C(N=C1N=C2C=CC=CN2Cc2ccccc21)c1cc(-c2ccccc2)nc2ccccc12 254398718 OITOCPUTIHNPFX-UHFFFAOYSA-N 440.506 5.786 30 10 IKEE Cc1ccsc1C=Nc1sc2c(c1C(=O)Nc1ccccc1)CC[C@H](C(C)(C)C)C2 254751960 RPSZMEKANDWJCC-KRWDZBQOSA-N 436.646 7.272 30 10 IKEE O=C1/C(=C\c2ccc(O)cc2)SC(=Nc2ccccc2)N1CCc1c[nH]c2ccccc12 254814986 WUBWAPCCYPOPQB-OFYGDPCRSA-N 439.540 5.720 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1cccc(OCCC)c1 526802126 CWDFJSKTXJOWQH-XYGWBWBKSA-N 426.561 5.723 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1c(Cl)cccc1Cl 526811894 VAGPYLJPZCQXBH-KSEXSDGBSA-N 439.799 6.365 30 10 IKEE C=CCCN(c1ccc(N2CCC(C)CC2)cc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586252798 OHOCPUYRQVHVKP-UHFFFAOYSA-N 440.653 5.992 30 10 IKEE CC(C)(C)OC(=O)N1CC([C@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)C1 686263281 GCXTWGSECFRNSL-QFIPXVFZSA-N 435.952 5.231 30 10 IKEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccc(Br)cc1Cl 698375724 JTSGGWQQDNYCNT-KRWDZBQOSA-N 444.801 5.246 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCc2cc(Cl)ccc21 698486697 BKOLAHXDDCXHJG-OAQYLSRUSA-N 447.760 6.209 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 698823856 CIFNFOPVUFJNJP-WAIKUNEKSA-N 449.979 5.621 30 10 IKEE Cc1sc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)cc1Br 698972659 QCCCJJJDSNFBDG-HNNXBMFYSA-N 425.323 5.965 30 10 IKEE CC(C)(C)OC(=O)N(C[C@H]1CCCO1)[C@H](C#N)c1cccc(Br)c1Cl 706501267 VCPLWQBDKNJNQV-IUODEOHRSA-N 429.742 5.083 30 10 IKEE C/C(=C/c1ccccc1)C(=O)Nc1cc(Cl)c([C@H](C#N)c2ccc(Cl)cc2)cc1C 1084331511 IITAYKOUJYEQQQ-TWMGVTGTSA-N 435.354 6.999 30 10 IKEE C=CCOc1c(Br)cc(CN[C@H](C)c2ccc3nc(O)oc3c2)cc1OCC 1203282336 GCKZQFXTXITBJG-CYBMUJFWSA-N 447.329 5.110 30 10 IKEE N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(-c4cccc(Cl)c4)nc3O)s2)cc1 1352076412 BNVUBVJEGHGQLJ-UHFFFAOYSA-N 446.919 5.279 30 10 IKEE CC(C)(C)c1ccc(/C=N\N=C2/S/C(=C\c3cccnc3)C(=O)N2Cc2ccco2)cc1 1554646191 PJNOLZRIJFFJPP-OZQDGZCCSA-N 444.560 5.479 30 10 IKEE CC(/C=N\N=C1/S/C(=C\c2ccccc2C)C(=O)N1Cc1ccco1)=C\c1ccccc1 1554646625 YBZVHAPSXKDDKT-ZUIPQRTDSA-N 441.556 6.150 30 10 IKEE O=S(=O)(c1ccc(N=Cc2cn(Cc3ccccc3)c3ccccc23)cc1)N1CCCC1 1772743395 VBEFATBSITVSQB-UHFFFAOYSA-N 443.572 5.225 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1cccc(C)c1 1862400357 BTDQGRNUYSXBIY-WIOPSUGQSA-N 449.591 6.249 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@H](C)CC)cc1 1862419846 YUFRJPBJILKHCZ-SPLOXXLWSA-N 429.463 5.130 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(OC)c(O)c1 1862448373 LZMSLKRDGOQZET-OAQYLSRUSA-N 443.927 5.213 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccc(N(C)C)cc2)cc1 1862478089 YRCYGDQIHSFMQN-VWLOTQADSA-N 444.575 5.530 30 10 IKEE COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC(C)C)ccc1OC(C)C 1862484252 KQBVUCHLNKBQNI-HSZRJFAPSA-N 437.536 5.025 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccc(Cl)cc2)c1 1862490759 DAWVYKFCTRPMJV-XMMPIXPASA-N 445.946 6.044 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2cccc3ccccc23)c1 1862494008 CTDDKOMLFKXKSQ-RUZDIDTESA-N 443.543 5.460 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccc(C)cc2)cc1 1862507688 QTRNAQWWOJOINO-DEOSSOPVSA-N 429.491 5.529 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1cccc(Cl)c1 1862527226 SFUJOLSIFNDQBN-KRWDZBQOSA-N 434.717 5.089 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1cccc(F)c1 1862530676 VWBZMGJGDRKJMG-HSZRJFAPSA-N 439.527 5.173 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccccc2C(=O)O)cc1 1862532482 COKDDPUARWKXMB-FQQGMQMYSA-N 447.531 5.104 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(Cl)c(Cl)c1 1862562445 GAEXCBQXIZZNSM-LJQANCHMSA-N 433.335 5.344 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1c(F)cccc1Cl 1862585587 ZPFMOYSLDYHJFW-QGZVFWFLSA-N 440.685 5.550 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(C(=O)O)cc2)cc1 1862616065 POQGVNBTQBGYCA-QFIPXVFZSA-N 447.531 5.203 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1ccc(OCC)cc1 1862642117 INFITYGINBVWTH-QFIPXVFZSA-N 441.499 5.002 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccc(O)c1 1862663122 PPKFGLQCCNHWPL-RUZDIDTESA-N 449.591 6.454 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862667961 NLKUMOMDHAJBIZ-QKKBWIMNSA-N 446.374 6.494 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(Cl)cc1 1862725607 NBJLYTYOXCMWSZ-XMMPIXPASA-N 445.946 6.385 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862727839 NLJYZNVUNVFPGX-QHCPKHFHSA-N 442.471 5.250 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1c(Cl)cccc1Cl 1862744767 UNDCSLLPFVGQIZ-ZMZPIMSZSA-N 449.290 5.278 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(C)ccc2C)=C(c2ccc(Cl)cc2)C1=O 1863168089 OFOOFEVYDAWVKR-UHFFFAOYSA-N 438.999 6.509 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(CC)cc2)=C(c2ccccc2[N+](=O)[O-])C1=O 1863232918 YHHSERUNVQZVIJ-UHFFFAOYSA-N 449.551 5.710 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccc(C)cc2)=C(c2ccc(F)cc2F)C1=O 1863661360 KUCQRQOAFLJKOS-UHFFFAOYSA-N 440.534 5.503 30 10 IKEE C[C@H](CC(=O)N[C@@H](C(=O)Nc1ccc(C#N)cc1)c1ccccc1)c1ccc(Cl)cc1 1866716966 ZCUWZHXKXQUTQE-MZNJEOGPSA-N 431.923 5.201 30 10 IKEE CN1CCN(c2cc(Nc3cccc(C#N)c3)nc(-c3ccccc3)n2)C[C@H]1c1ccccc1 1868354840 PAQZBSMCCZBHRK-VWLOTQADSA-N 446.558 5.252 30 10 IKEE CCCc1nc(Nc2ccccc2C#N)cc(N2C[C@H](c3ccccc3)Cc3ccccc32)n1 1868398734 PXAZYPZZYSFKST-XMMPIXPASA-N 445.570 6.522 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)cc2Cl)c(=O)cc1CSc1ccccn1 1870232473 VBJAJZJRFGZYAT-UHFFFAOYSA-N 433.360 5.607 30 10 IKEE C=CCOc1cn(CCC(C)C)c(CN(Cc2ccccc2)Cc2ccccc2)cc1=O 1870386349 LGOVWFJIJNMVNP-UHFFFAOYSA-N 430.592 5.662 30 10 IKEE CCCCCCCCCCn1cc(OCC(C)C)c(=O)cc1CN(CCC)CCCC 1870436572 AYXUCUUIPJFPAA-UHFFFAOYSA-N 434.709 7.036 30 10 IKEE CCCCCCCCn1cc(OCCOC(C)C)c(=O)cc1CNc1cc(C)cc(C)c1 1870987423 XPNMKEXRDQVPJV-UHFFFAOYSA-N 442.644 6.242 30 10 IKEE CCCCCCN1COc2c(cc3c(c2C)O/C(=C\c2c(Cl)cccc2Cl)C3=O)C1 1871353204 JADCPOIEYKILIJ-MTJSOVHGSA-N 446.374 6.650 30 10 IKEE COc1ccc([C@@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2ccccc2F)C4=O)cc1 1871354357 OHHTVFJYQVWUSH-ACMDDDSKSA-N 431.463 5.364 30 10 IKEE Cc1c(OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)ccc2c1O/C(=C\c1cccs1)C2=O 1871381770 BUUGAPZSPHNCRY-KRWXNTFSSA-N 433.441 5.200 30 10 IKEE Cc1cc(OC(=O)c2ccc(-n3cccc3)cc2)cc2c1C(=O)/C(=C/C=C/c1ccccc1)O2 1871383982 JPWQYPNTDHGWDX-BDUSHXLBSA-N 447.490 6.177 30 10 IKEE Cc1c(OC(=O)CCc2ccccc2)ccc2c1O/C(=C\c1cn(C)c3ccccc13)C2=O 1871385738 KAMDZYLOBCKSEJ-XYGWBWBKSA-N 437.495 5.641 30 10 IKEE Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2C)C3=O)c(C)c1 1871403531 YOUNYXNFHYDOBJ-FQOPDIHJSA-N 441.527 5.942 30 10 IKEE C=CCN=c1nc(Nc2ccc(Cc3ccccc3)cc2)[nH]c(N(CCC)CCCC)n1 1871659339 JARIHAUJVMLITH-UHFFFAOYSA-N 430.600 5.242 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)CCCC 1871946086 RIZXHNDDOSBDDN-IBGZPJMESA-N 449.444 5.355 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cccc(C)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872267280 FNGNHVYNVGOEBS-CYFREDJKSA-N 442.625 5.232 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccccc1C(C)C)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872435891 WPFGVUNMIKNAEK-XMMPIXPASA-N 442.625 5.267 30 10 IKEE COc1ccc(-c2nc3ccc(C(=O)Nc4ccc(C#N)cc4)cc3[nH]2)cc1Br 1872735386 RDJGOJCFLZALKA-UHFFFAOYSA-N 447.292 5.125 30 10 IKEE CC(C)c1ccc(O[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(F)cc3F)cs2)cc1 1872766018 BBHATGBMRFWFHU-IFXJQAMLSA-N 426.488 5.855 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)COc3cc(C)c(Cl)c(C)c3)n2)cc1 1872768671 ZBHRLRDUCHUHJL-LJQANCHMSA-N 440.952 5.734 30 10 IKEE N#C[C@H](C(=O)CCCOc1ccc2ccccc2c1)c1nc(-c2ccc(F)c(F)c2)cs1 1872779620 NJCGRCPDBHWOBY-HXUWFJFHSA-N 448.494 6.277 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccc(C)cc3)n2)c(OC)c1 1872783851 JGWPNNJEXUKLSI-HXUWFJFHSA-N 436.533 5.171 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccccc2C)C1=O 1873302667 CCAKTNKBFJDFCI-UHFFFAOYSA-N 443.591 6.199 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1cccc(Cl)c1C)n2CCCC 1873656729 JNJKFDJSNAXUIQ-UHFFFAOYSA-N 437.975 5.624 30 10 IKEE CCCSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1cccs1 1874198433 BEUIRRFDRMWJKX-JJIBRWJFSA-N 436.606 5.889 30 10 IKEE CCCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc(O)c(O)c1 1874234048 ORGKOSPRIAAQJF-PCLIKHOPSA-N 432.549 5.012 30 10 IKEE CCOc1ccc(OCc2nnc(SCC)n2/N=C/c2c(F)cccc2Cl)cc1 1874235525 NLMOJABFNQCWCC-FSJBWODESA-N 434.924 5.043 30 10 IKEE CCCCC1CCC(c2nnc(SCCCO)n2/N=C/c2cc(C)ccc2O)CC1 1874286499 KBFMJCBMTXNRRU-LFVJCYFKSA-N 430.618 5.113 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2cccs2)cc1C 1874320202 FVZNGHOKWOAZME-ZVHZXABRSA-N 434.590 5.710 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3F)n2/N=C/c2ccc[nH]2)cc1C 1874320413 PZHYKLUUKYSAOZ-LGJNPRDNSA-N 435.528 5.116 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3C)n2/N=C/c2cccn2C)c(C)c1 1874325139 ABZNWUQRIVQZJX-CVKSISIWSA-N 445.592 5.295 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccc(C)cc3C)n2/N=C/c2ccco2)cc1 1874325227 FABXBPAMHUFASF-AFUMVMLFSA-N 432.549 5.550 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(COc3ccccc3)nnc2SC)cc1OC 1874382255 GUDAIJOBOIKPOT-LFVJCYFKSA-N 440.569 5.039 30 10 IKEE C=CCSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874389941 MDHPRLYUZCOFBO-PCLIKHOPSA-N 436.581 5.133 30 10 IKEE CCCSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1c(OC)ccc2ccccc12 1874398723 CMCPGKCNRBXDED-WYZSWBMLSA-N 430.577 5.976 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccccc2)c1 1874403086 STIGQZICCTVUBX-YZSQISJMSA-N 428.561 5.252 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2ccccc2)cc1Cl 1874430761 WNVGUQWPFIZWKE-AFUMVMLFSA-N 439.371 6.426 30 10 IKEE CCCOc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccc(F)cc2)c1 1874437255 RVYIGXCHCXCUGB-WGOQTCKBSA-N 440.588 5.969 30 10 IKEE Fc1ccccc1/C=N/n1c(SCc2ccc(Cl)c(Cl)c2)nnc1C1CCC1 1874497684 VLJPTWYPJDRPQR-BHGWPJFGSA-N 435.355 6.166 30 10 IKEE CCCSc1nnc(COC)n1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1874502430 HRKGPLCDYVGCJC-WGOQTCKBSA-N 446.576 5.541 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(C)nnc2SCc2ccc(C)cc2)cc1OC 1874529462 KOFZWXKUEARBKK-PCLIKHOPSA-N 438.597 5.647 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(C)n2/N=C/c2ccc(C(C)(C)C)cc2)c1 1874529723 XVJHUYPSALFQFB-AFUMVMLFSA-N 435.597 5.114 30 10 IKEE CCOc1ccc(/C=N/n2c(C)nnc2SCc2cccc(Cl)c2)cc1OCC 1874535448 HURCNHIOWXGNPQ-YDZHTSKRSA-N 430.961 5.212 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccccc2Cl)c1OCC(=O)Nc1ccc(C)cc1C 1874575088 UUJDQTSXKSQXOT-WYMLVPIESA-N 449.934 5.879 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2cccc(Cl)c2)c1OCc1ccc(C)cc1 1874577540 TVDXJWZIACBVPD-ZHACJKMWSA-N 427.327 6.786 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cc(Br)ccc2OCCc2ccccc2)c1 1874580473 PGNUMWAPKZQSTF-ZRDIBKRKSA-N 435.361 6.584 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)N[C@@H](C)c2ccccc2)c(C)c1C 1874586457 OGUKIYCZEBJNAW-OZIPEELISA-N 443.543 5.464 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccccc2C)cc1Cl 1874590655 GGQROORPWZGHMH-ACCUITESSA-N 435.907 5.571 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)c1 1874596724 AHISEPRWNQYEJY-IZZDOVSWSA-N 449.459 5.096 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC)c(OCc3cc(C)ccc3C)c2)cc1C 1874599931 KYVNWLZPURVLNX-PKNBQFBNSA-N 430.544 6.413 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2F)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 1874606015 QTVCSEKMYLMVEV-WEVVVXLNSA-N 446.261 6.516 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccccc3OC)cc2Cl)o1 1874610350 OCQKKEBMSFUOHG-DHZHZOJOSA-N 440.879 5.593 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OCC(=O)Nc1ccccc1CC 1874614535 LIOQRDJMENFFLY-JQIJEIRASA-N 429.516 5.561 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874628555 JWNKYAKISMGHNF-IZZDOVSWSA-N 447.745 7.131 30 10 IKEE CCCOc1ccc(/C=C/C(=O)c2cc(OC)c(Cl)cc2OC)cc1Br 1874629932 BUZIODDGIKKDEV-FNORWQNLSA-N 439.733 5.805 30 10 IKEE C[C@@H](C(=O)Oc1cccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1)c1ccccc1 1874695886 XDLKIBNMVSUFKS-QSOAKEGCSA-N 425.311 6.599 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OC(=O)c1cc2ccccc2n1C 1874699488 XZUXTFZGYPWGCJ-ZRDIBKRKSA-N 445.902 5.956 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)C(c3ccccc3)c3ccccc3)c2)cc1 1874701990 PMILDWHUWYABMO-LVZFUZTISA-N 432.519 6.629 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C)c(C)c3)c2)cc1OC 1874713679 JCTURJGCBIGXDO-FMIVXFBMSA-N 430.500 5.365 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccccc3)c([N+](=O)[O-])c2)cc1 1875101190 RHRNEXWIHVOLAQ-GXDHUFHOSA-N 431.444 5.038 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OC)c([N+](=O)[O-])c3)cc2)cc1 1875129672 ODHWSLSHDMXTPL-MKMNVTDBSA-N 447.443 5.117 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1Cl 1875131960 XLEWJVIRDMHQEK-JLHYYAGUSA-N 448.946 6.400 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)CSc1ccccc1 1875139833 CHUJQTMXXDNHAC-ACCUITESSA-N 432.541 5.906 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)cc(Br)c1OC(=O)CC 1875144370 QANWZDWSKHHDGY-CMDGGOBGSA-N 447.325 5.376 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3)c(Cl)c2)c(C)c1C 1875167408 CXONVVNHIVQZTB-NYYWCZLTSA-N 438.882 6.220 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1 1875167821 OEBAUEKNELUTBR-RVDMUPIBSA-N 430.500 5.365 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)c1cccc(F)c1 1875182501 GLNSGGQHNCBIQP-MDZDMXLPSA-N 448.490 5.883 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](CC(C)(F)F)NC(=O)OC(C)(C)C 1924653321 MHCAQWMJIDFDDC-PMACEKPBSA-N 426.548 5.066 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1N(C(=O)OC(C)(C)C)CCSC1(C)C 2018257731 BBLMFDFDZOPLBL-FGZHOGPDSA-N 448.673 5.259 30 10 IKEE C=CCCCCCC[C@H](N)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2026000763 APYGDLWPLZVMDL-JYFHCDHNSA-N 430.633 5.684 30 10 IKEE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2032562868 XTIAFAXYCYWYKZ-BXKMTCNYSA-N 447.551 5.497 30 10 IKEE N#Cc1c(C=Cc2cccs2)cc(-c2ccc(Cl)c(Cl)c2)n2c1nc1ccccc12 2040461164 BPRJQQFJKNYWQO-UHFFFAOYSA-N 446.362 7.565 30 10 IKEE C=CCn1c2ccccc2n2nc(C)c(C(=O)C=Cc3c(C)nn(CC(C)C)c3Cl)c12 2040488589 VBXQUIUFBWOYQF-UHFFFAOYSA-N 435.959 5.494 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)C2(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2042140555 FVOUKNGZVLULEB-OOEJVQDLSA-N 447.620 5.486 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)Cc1ccc(Cl)c(Br)c1F 2047991175 ULKJNOAJKKWBMD-ZIAGYGMSSA-N 436.749 5.005 30 10 IKEE Cc1cccc(N2Cc3ccccc3C2=NC(=O)COc2ccc(Cl)cc2Cl)c1 2059864883 LOCULZKRLHACRK-UHFFFAOYSA-N 425.315 5.674 30 10 IKEE CCCc1ccc([C@@H](C2CC2)n2nc(C(F)F)c(C#N)c2I)cc1 2079906814 APDHPHIUVCEQKX-INIZCTEOSA-N 441.263 5.249 30 10 IKEE CCN(Cc1ccc(Nc2cc(Br)cnc2C#N)cc1)C(=O)OC(C)(C)C 2169055224 KYXOWEVVOBLZIX-UHFFFAOYSA-N 431.334 5.216 30 10 IKEE C=C(COCc1ccccc1)[C@H](CCC[C@@H](NC(=O)OC(C)(C)C)C(C)C)NCCC 2214445310 YICCRRFHBQZKMB-RPWUZVMVSA-N 432.649 5.847 30 10 IKEE C=CCCCCCCC[C@H](NCC)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2220092581 MSCXODXTIUZNJZ-DQEYMECFSA-N 445.692 5.907 30 10 IKEE C=CCCCCCCC[C@@H](N)c1cc(Br)ccc1I 2227276784 UFIWEXIMSVQFPN-MRXNPFEDSA-N 436.175 5.970 30 10 IKEE C#CCN(CC(C)C)C(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2243925196 RULOCLYMOFTNMY-SANMLTNESA-N 446.591 5.058 30 10 IKEE CC(C)(C)OC(=O)NC1C[C@@H]2CCC[C@H](C1)C2(C#N)Nc1ccc(Br)cc1 2285769011 SYADBNGSPSIYLC-CHLRHJHGSA-N 434.378 5.227 30 10 IKEE CCN[C@@H](CC#CC1CCCC1)c1cc(I)ccc1Br 2289873212 BHRXFDDGRFAXHS-KRWDZBQOSA-N 446.170 5.288 30 10 IKEE CCN[C@@H](CC#CC1CCCC1)c1cc(Br)ccc1I 2289873924 HWLCIZWSQJGLKY-KRWDZBQOSA-N 446.170 5.288 30 10 IKEE COc1ccc2c(c1)C(=C1SC(C(C)=O)=C(c3ccccc3)S1)C(=S)C(C)(C)N2 2293202256 CEGRGVVMJBBEEU-UHFFFAOYSA-N 439.627 6.376 30 10 IKEE Cc1c(C=C2SC(=Nc3ccc(F)cc3)NC2=O)c2ccccc2n1Cc1ccccc1 2293998964 NSZQLECCNNSTQZ-UHFFFAOYSA-N 441.531 6.029 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc(CC[C@H](N)C#Cc2ccc(Br)cc2)c1 2296279521 PNODWROCZFRRDW-LJQANCHMSA-N 429.358 5.108 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H](CC=C(C)C)NC(=O)OC(C)(C)C 2296305837 ZHGSGVSEKDQYJA-UXHICEINSA-N 435.406 5.028 30 10 IKEE COc1ccc(C=C2Oc3cc(OCc4ccccc4C)ccc3C2=O)c(OC)c1OC 2296867856 BKSNWGNCCZWSPH-UHFFFAOYSA-N 432.472 5.216 30 10 IKEE C[C@H]1Oc2ccccc2C=C1C=C1Oc2cc(OCc3cccc(Cl)c3)ccc2C1=O 2296869219 KOEWWJHCGXOYSZ-MRXNPFEDSA-N 430.887 6.243 30 10 IKEE Clc1cc(C=NNc2nc(-c3cccs3)cs2)ccc1OCc1ccccc1 2318417847 HVEWJBCGOYUGNF-UHFFFAOYSA-N 425.966 6.550 30 10 IKEE Sc1nnc(C2CCCC2)n1N=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2321928181 WJIVZNLGRYVLFB-UHFFFAOYSA-N 447.391 5.992 30 10 IKEE C=CCN(Cc1ccccc1)[C@]1(C(=O)O)CCC[C@@H]1[C@@H]1CCCCN1C(=O)OC(C)(C)C 2321992870 VFEGOJJWTLYJIZ-TVZXLZGTSA-N 442.600 5.088 30 10 IKEE COc1cc(C=Nn2c(S)nnc2CCc2cccc3ccccc23)ccc1OC(C)C 2322206922 XPCSXYXIKKGIMD-UHFFFAOYSA-N 446.576 5.183 30 10 IKEE COc1ccc([C@H](C)N2COc3ccc4c(c3C2)OC(=Cc2ccccc2Cl)C4=O)cc1 2322238742 FADVNRIKTFAHDZ-INIZCTEOSA-N 447.918 5.878 30 10 IKEE O=C(C=Cc1c(OCc2ccccc2F)ccc2ccccc12)c1ccc([N+](=O)[O-])cc1 2322474580 HXNKTTKZNIAMPT-UHFFFAOYSA-N 427.431 6.362 30 10 IKEE COc1cccc(C=CC(=O)c2cc(C)ccc2C)c1OCC(=O)Nc1ccccc1C 2322624140 YRQYFCWXTVAJLG-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE O=C(COc1ccc2ccccc2c1C=CC(=O)c1ccc(F)cc1)NCc1ccccc1 2322747995 XFKOIYLYOQGTCM-UHFFFAOYSA-N 439.486 5.570 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cc(Cl)ccc1OCc1cccc(Cl)c1 2323022570 KODXUWAUGMGYMA-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3ccc(F)cc3)c2)cc1C 2323078686 NJUOWHIMRXBHFQ-UHFFFAOYSA-N 449.478 5.065 30 10 IKEE Cc1ccc(CCC(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)cc1 2323078817 BRWJCFVBFPTFKM-UHFFFAOYSA-N 440.539 6.447 30 10 IKEE Cc1cc(OC(=O)c2ccc(F)c(F)c2F)cc2c1C(=O)C(=Cc1cccc(Cl)c1)O2 2323126856 MRTPLDMFIWIUHD-UHFFFAOYSA-N 444.792 5.901 30 10 IKEE O=C(Cc1ccc(Cl)c(Cl)c1)Oc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O 2323417067 FGTHBFRPBBSIIH-UHFFFAOYSA-N 443.257 5.897 30 10 IKEE Cc1cc(OC(=O)c2cccc(Oc3ccccc3)c2)cc2c1C(=O)C(=Cc1ccccc1)O2 2323561026 NDCOQBIKBQBBDP-UHFFFAOYSA-N 448.474 6.623 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OCc3cc(C)ccc3C)c(OC)c2)cc1 2323627994 ZLNBWPWCOMXWHD-UHFFFAOYSA-N 432.516 5.804 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(Cl)cc2)cc1)c1cccc(Br)c1 2323651870 OBFUJQOSHSWLCO-UHFFFAOYSA-N 427.725 6.578 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2OC)C3=O)cc1 2323791418 CKMKIRZFDQPRLM-UHFFFAOYSA-N 430.456 5.238 30 10 IKEE COc1ccc(-c2csc(NN=Cc3ccc(OC(C)C)c(OC)c3)n2)c(OC)c1 2323865856 KZWXBLADXMRFEZ-UHFFFAOYSA-N 427.526 5.069 30 10 IKEE Cc1ccc(OCCCOc2ccc3c(c2C)OC(=Cc2ccc(N(C)C)cc2)C3=O)cc1 2324545812 LOPUKNWGUHCKKF-UHFFFAOYSA-N 443.543 5.834 30 10 IKEE CCc1ccc(NC(=O)[C@H](CC)Oc2ccc3c(c2C)OC(=Cc2ccccc2)C3=O)cc1 2324817140 NJEQJCIEQLCECJ-QHCPKHFHSA-N 441.527 5.970 30 10 IKEE Cc1c(OCC(=O)N[C@@H](C)c2ccccc2)ccc2c1OC(=Cc1cccc(Cl)c1)C2=O 2325019944 PFBWYYDUTPSTBI-KRWDZBQOSA-N 447.918 5.521 30 10 IKEE Cc1cc(OCc2cccc3ccccc23)cc2c1C(=O)C(=Cc1cn(C)c3ccccc13)O2 2325272487 DCWZMUOODJMXQY-UHFFFAOYSA-N 445.518 6.835 30 10 IKEE C[C@H](Oc1ccc2c(c1)OC(=Cc1ccccc1Cl)C2=O)C(=O)Nc1ccc(C#N)cc1 2325301735 MTXRKRMIKIOSKR-HNNXBMFYSA-N 444.874 5.234 30 10 IKEE COc1ccc(C=C(C(=O)Nc2sc3c(c2C#N)CCC3)c2ccccc2)cc1OC 2325383004 AZRQLFBQTFOSHR-UHFFFAOYSA-N 430.529 5.305 30 10 IKEE CC(C)(C)c1ccc(C=CC(=O)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1 2325506561 IHAHOGIPEUZWRA-UHFFFAOYSA-N 447.962 6.438 30 10 IKEE CCN(Cc1ccccc1)c1ccc(C=Nn2cnnc2SCc2cccc(F)c2)cc1 2325649203 ULWZMUGSSJMMKP-UHFFFAOYSA-N 445.567 5.618 30 10 IKEE COc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)Cc1ccc(F)c(C)c1 2325721092 KLKHJAZQDZZVPS-UHFFFAOYSA-N 449.434 5.095 30 10 IKEE Cc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(Cl)c(Cl)c3)c2)cc1 2325737006 KGGWSVWNPCWGHT-UHFFFAOYSA-N 425.311 6.346 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)CC2CCCCC2)c1 2325756024 IJLWROJAVAOFMJ-UHFFFAOYSA-N 447.358 6.774 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)c(OC)c1 2325761870 HOSRYYKLFLFTCS-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE CCSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1c[nH]c2ccccc12 2325941786 JUMJWNQAZQLILW-UHFFFAOYSA-N 440.370 5.107 30 10 IKEE CCOc1ccc(C=Nn2c(CCCOc3ccccc3Cl)nnc2SCC)cc1 2326058190 WCHHDHAMPOOMHI-UHFFFAOYSA-N 444.988 5.336 30 10 IKEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)CN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 2326076446 OBQARZVSMIPCCS-AREMUKBSSA-N 442.600 5.232 30 10 IKEE CCOc1c(Cl)cc(C=Nn2c(CC)nnc2SCc2ccc(F)cc2)cc1OC 2326238635 IPVNNMDDUWJCTO-UHFFFAOYSA-N 448.951 5.215 30 10 IKEE C(=Nn1c(CC23CC4CC(CC(C4)C2)C3)nnc1SCCc1ccccc1)c1ccco1 2326918498 WTIJLKTVHSNZFU-UHFFFAOYSA-N 446.620 5.847 30 10 IKEE CSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1c(Cl)cccc1Cl 2326960759 VMYIRHLCAOYCDV-UHFFFAOYSA-N 435.380 5.509 30 10 IKEE Fc1cccc(CSc2nnc(Cc3cccc4ccccc34)n2N=Cc2ccc[nH]2)c1 2327725361 NSRVDCOJEQNOGZ-UHFFFAOYSA-N 441.535 5.664 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2cccs2)cc1 2328567391 WVARUCQBTJLBOH-UHFFFAOYSA-N 434.590 5.504 30 10 IKEE C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1CC(=Cc1ccc(C(F)(F)F)cc1)C2=O 2328660922 CMCWTYNIVZMUIH-RZQCXYSXSA-N 430.554 7.701 30 10 IKEE CCCSc1nnc(Cc2ccc(OC)cc2)n1N=Cc1c(OC)ccc2ccccc12 2329285392 HKOXKWXUJQJRGX-UHFFFAOYSA-N 446.576 5.424 30 10 IKEE Cc1cccc(C=Nn2c(COCc3ccccc3)nnc2SCc2ccccc2C)c1 2329309952 AEHLIFWGPSKFQX-UHFFFAOYSA-N 442.588 5.786 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccccn1 2329768708 FIQUSVSCMPMALO-UHFFFAOYSA-N 437.931 5.231 30 10 IKEE CCCCOc1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCCC)cc1 2329854590 XVPPCAAMXVSSKS-UHFFFAOYSA-N 426.561 5.571 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2N=Cc2cc(C)ccc2O)cc1 2329943755 PKGQDGZHKYBKCY-UHFFFAOYSA-N 446.551 5.505 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2N=Cc2ccccc2)cc1 2330023019 GDFQUFHREPTMTO-UHFFFAOYSA-N 432.980 6.005 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2Cl)n1N=Cc1ccncc1 2330109680 PDPVNWQIOYTDCU-KRWDZBQOSA-N 433.968 5.653 30 10 IKEE COc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc(Cl)c1OC(=O)C(C)(C)C 2330592255 QQYLJUUHJRJESD-UHFFFAOYSA-N 448.946 6.863 30 10 IKEE CCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1OC 2330692844 GLVKYRQCALUJCY-UHFFFAOYSA-N 443.337 5.548 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)cc3F)c(Cl)c2)cc1 2330743636 GKGRBFUXRLDLTI-UHFFFAOYSA-N 440.873 6.225 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)cc(Br)c1OC(=O)C(C)C 2330796658 WJRMPJLGNGLKSY-UHFFFAOYSA-N 447.325 5.314 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccccc1[N+](=O)[O-] 2330872494 SRYIDVHSLFAUHH-UHFFFAOYSA-N 443.960 5.603 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(Cl)c3)c([N+](=O)[O-])c2)cc1 2330970882 SOFANKKRZOZCGH-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)cc2)cc(OC)c1OC(=O)c1ccccc1 2330982076 IMKOXRVLTYCCQC-UHFFFAOYSA-N 428.484 5.548 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)CC1CCCCC1 2331141849 RLPHECMHRACYGB-UHFFFAOYSA-N 442.939 6.129 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)CCc1ccccc1OC 2331180316 XLFVGWOFKASPPM-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccnc2)c(Cl)c1)c1ccc(Cl)c(Cl)c1 2331241444 JPSAENKZAQIHPN-UHFFFAOYSA-N 432.690 6.157 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1ccc(C=CC(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] 2331273621 KAANIGNVKMIDME-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C(C)(C)C)c1 2331411904 PDARRWQKPHDXFP-UHFFFAOYSA-N 449.407 6.071 30 10 IKEE CC(C)Cc1nnc(SCc2cccc(F)c2)n1N=Cc1c(Cl)cccc1Cl 2331443935 PUIHQLCMEGVBSP-UHFFFAOYSA-N 437.371 6.097 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OC(=O)c1cccs1 2331480327 HZMXJVIANIWDAM-UHFFFAOYSA-N 428.509 6.415 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cc(Cl)ccc2Cl)c(Cl)c1)c1ccc(F)cc1 2331522865 KPMOTMUDLPQGMJ-UHFFFAOYSA-N 449.692 6.901 30 10 IKEE COc1cc(C=Nn2c(SCc3ccc(C)cc3)nnc2C(C)C)cc(Cl)c1O 2331669934 RXUIKKZKOZAWFL-UHFFFAOYSA-N 430.961 5.252 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2N=Cc2ccccc2Cl)cc1C 2331723960 XDQJCSGLNHQTEA-UHFFFAOYSA-N 439.972 5.039 30 10 IKEE CCN(CC)CCN(Cc1ccccc1)c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339575184 SJVNYBXVSFAJPL-UHFFFAOYSA-N 435.421 5.075 30 10 IKEE CCOc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)cn1 2363096433 UAIRTIDJOJOWMF-QGZVFWFLSA-N 432.318 5.249 30 10 IKEE CC[C@H](N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363832931 XHDYRBQXBSARIX-BYXVTNLJSA-N 448.460 5.080 30 10 IKEE C[C@@H]1[C@@H](C)N(Cc2ccccc2)[C@H](C)CN1c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2365103949 PACQSMIBNPYWKD-YPAWHYETSA-N 447.432 5.214 30 10 IKEE N[C@@H](C#Cc1cnn(C2CC2)c1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2365913685 LFVZHXYNMPFOSM-MHZLTWQESA-N 449.554 5.428 30 10 IKEE C=CCN1C(=O)[C@H](CC(=O)c2ccc(Cl)c(C)c2)S/C1=N\c1cccc2ccccc12 15055328 AMVRFIJTMOCWSY-NHKLCZRASA-N 448.975 6.192 30 10 IKEE CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1/C=N/c1ccc(N2CCOCC2)cc1 20075581 MHTNWCADCODRQN-WGOQTCKBSA-N 438.572 5.300 30 10 IKEE CC(C)Oc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(C(C)(C)C)cc2)cc1 20884737 JZQSIDRYOJUUBD-REWPJTCUSA-N 431.576 5.776 30 10 IKEE O=C(CCSc1n[nH]c(N/N=C/C=C/c2ccccc2)n1)Nc1cccc2ccccc12 21079137 WNOXLXZVUAGYOM-QQBFNENRSA-N 442.548 5.190 30 10 IKEE CC(C)COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2OC(C)C)cc1 21248328 AJEWIEKQBJMGFL-NFBKMPQASA-N 447.575 5.513 30 10 IKEE Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccc(F)cc3)C(C#N)(C#N)[C@H]3c4ccccc4C=CN23)cc1 21946988 AYHFYRCMZUUNLD-CMTIAEDTSA-N 433.486 5.544 30 10 IKEE O=C1/C(=C/c2cccc(Br)c2)S/C(=N/c2cccnc2)N1C1CCCCC1 39863156 VYJFOKWVZZBYSG-RXBBGTROSA-N 442.382 5.781 30 10 IKEE C=CCn1c(SCCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1 59794965 KWYAARLAQSXZRD-UHFFFAOYSA-N 433.364 5.559 30 10 IKEE C=CCn1c(SCCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccc(Cl)cc1 59794989 UXEKYNOVXNDHTG-UHFFFAOYSA-N 447.391 5.867 30 10 IKEE Cc1cccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(F)cc3)/C(=N/c3ccccc3)S2)c1 100146202 SYNAODGVENOFQC-XOFWUJAUSA-N 447.535 5.295 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2ccc(OCCc3ccccc3)cc2)cc1 100211237 ZBMBXQYFPOIPQL-UHFFFAOYSA-N 431.576 6.910 30 10 IKEE CCCCCCCCCCCn1c([C@@H]2CC(=O)N(c3cccc(F)c3)C2)nc2ccccc21 101904986 VTNKPOQEPIENSP-JOCHJYFZSA-N 449.614 7.227 30 10 IKEE O=C1/C(=C/c2cc(Cl)cc3c2OCOC3)Oc2cc(OC/C=C\c3ccccc3)ccc21 102769433 YGYWXFZFWTVZJZ-JBEMADSHSA-N 446.886 5.915 30 10 IKEE COc1ccccc1-c1csc(N/N=C\c2ccccc2OCc2ccc(C)cc2)n1 169942747 OKFHQGQXDWXBJX-YSMPRRRNSA-N 429.545 6.152 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2cccc(C)c2)cc1C 169970246 HNTQUHSBCANDLV-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@H]2c2ccccn2)cc1 169993090 JOXPZQPAIXADJO-NRFANRHFSA-N 436.870 5.219 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2sccc2C)c1 170105493 DLYFQNWSNKMDTO-LJQANCHMSA-N 441.455 5.126 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(O)cc1)c1ccc2ccccc2c1 170135708 MGLTYVQGDSQFEF-DEOSSOPVSA-N 427.500 5.456 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2cccs2)c1 170156477 BBBYACSGYNZELW-JOCHJYFZSA-N 433.529 5.627 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C(C)(C)C)ccc3C)[C@@H]2c2cccnc2)cc1 170189363 AHEFNJLOSQHWOX-DEOSSOPVSA-N 440.543 5.779 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccncc2)cc1C(C)C 170199995 JDRAVTPKNKPXLP-QHCPKHFHSA-N 446.478 5.136 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@H]1c1ccncc1 170210943 FJBIRPFIVMIVPI-HSZRJFAPSA-N 436.552 5.372 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccccc2)cc1 170228421 LKIWJZSTQJYCAF-VWLOTQADSA-N 434.495 5.220 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccccc1F)c1cccc(Cl)c1 170247856 TUKCHNGFXQSMRN-FQEVSTJZSA-N 425.818 5.401 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1c1ccccc1O 170271791 VEOAXYFDSIYNPJ-HSZRJFAPSA-N 425.440 5.230 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1ccco1)c1ccc(Cl)c(Cl)c1 170283669 FMCBGZCVSQODMM-SFHVURJKSA-N 430.243 5.075 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccc(C)o2)c1 170300336 YPTIAIGJMHWRRE-DEOSSOPVSA-N 427.500 5.558 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2sccc2C)cc1 170315308 YEADMLMIIAJJFA-JOCHJYFZSA-N 445.540 5.473 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2sccc2C)c1 170317115 GRAYQRXDUQMGFD-NRFANRHFSA-N 448.544 5.019 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(OC(C)C)cc2)c1 170346537 UCIMWECRNDKNEM-JOCHJYFZSA-N 449.528 5.327 30 10 IKEE O=C1CSC(=S)N1N=Cc1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1 254735047 RXMPVYNYQMSXJU-UHFFFAOYSA-N 435.741 5.013 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)cc1Cl)NCC 406136076 PBAZBBCPIQKLCO-IRXDYDNUSA-N 431.802 5.093 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(O)cc2)c1 526487483 ZDBRQDSGVQQBNY-XMMPIXPASA-N 426.472 5.110 30 10 IKEE CC(C)COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(F)cc2)c1 526490192 ZXRNCHVBHWTDKW-RUZDIDTESA-N 442.490 5.789 30 10 IKEE CCOc1cc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2sccc2C)ccc1OC 526604177 KBKSWQMJGFLSSM-JOCHJYFZSA-N 446.528 5.393 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(C)o2)cc1OCC 526606807 JDYUUUZOCGVTFQ-DEOSSOPVSA-N 444.487 5.314 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(SCc2ccco2)C1=O 526666814 WWBAXBIAZRUHKY-UHFFFAOYSA-N 449.919 5.243 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@H]1c1cccc2ccccc12)c1ccccc1 526772492 JLTFOINNQYLCQP-VWLOTQADSA-N 449.462 5.351 30 10 IKEE O=[N+]([O-])c1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 526803133 VAAQZEBZKBWIDT-MYYYXRDXSA-N 447.495 5.091 30 10 IKEE CCOc1cc(/C=N\n2cnnc2SCc2ccc(C)cc2)cc(Cl)c1OC(C)C 526803620 DHDJBARBYNRFGF-ROTLSHHCSA-N 444.988 5.600 30 10 IKEE CCOc1cc(/C=N\n2c(C)nnc2SCc2cccc(Cl)c2)cc(Cl)c1O 526811459 LPLCCUQYGHFKDA-YVNNLAQVSA-N 437.352 5.172 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccccc2F)c(C)c1 526812327 OQUQNURYZAEBSY-QRQIAZFYSA-N 444.579 5.994 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccccc1OCC(C)C 526816884 PANFOQPUYSUDJZ-QFEZKATASA-N 443.016 6.093 30 10 IKEE N#Cc1ccc(CN(C(c2ccccc2)c2ccccc2)S(=O)(=O)c2ccccc2)cc1 586115573 PWXSSDGUPFBKEZ-UHFFFAOYSA-N 438.552 5.539 30 10 IKEE CC(C)(C)c1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2cccc(Cl)c2)cc1 586223394 LVCIDLQPIPPFIN-UHFFFAOYSA-N 438.980 5.905 30 10 IKEE C=CCCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 586229481 VDOCSNORWBNEMI-UHFFFAOYSA-N 439.533 5.268 30 10 IKEE C=CCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586243719 RIXWRHQCOFDEPX-UHFFFAOYSA-N 448.371 5.954 30 10 IKEE CC[C@@](C#N)(CC1CCCCC1)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 720368521 QVDQZNPIHUXNQO-QFIPXVFZSA-N 435.406 6.833 30 10 IKEE C=C1CCC(C[C@@H](O)CC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)CC1 724594581 DOBZGCQSDVFYNF-XMMPIXPASA-N 442.644 5.433 30 10 IKEE O=C(Oc1ccc(C=NNc2nc(-c3ccc(Cl)cc3)cs2)cc1)c1ccccc1 1084410295 ZSLSDUADDJVJGQ-UHFFFAOYSA-N 433.920 6.129 30 10 IKEE COc1cccc(C(CSc2nc3ccccc3[nH]2)=NNc2cccc([N+](=O)[O-])c2)c1 1084473489 WBGJZRLHJFNUOH-UHFFFAOYSA-N 433.493 5.088 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)CCSc2n[nH]c(NN=Cc3ccccc3F)n2)cc1 1084507478 DOORRTCENOJOPH-HNNXBMFYSA-N 440.548 5.024 30 10 IKEE CCCN(CCC)S(=O)(=O)c1cccc(-c2csc(NN=Cc3cccs3)n2)c1 1772724550 ZQPXPRIGALZEBY-UHFFFAOYSA-N 448.639 5.128 30 10 IKEE O=C1NC(=NN=Cc2cccc3ccccc23)S[C@H]1Cc1cccc(C(F)(F)F)c1 1772724754 HNQFNZYQPSRTPL-IBGZPJMESA-N 427.451 5.023 30 10 IKEE CCCCn1c2ccccc2c2nnc(NN=Cc3ccc(OC(C)C)c(OC)c3)nc21 1772764902 IMYOCPCXGKUWRS-UHFFFAOYSA-N 432.528 5.021 30 10 IKEE CC[C@@H](C)N(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(F)ccc1F 1859920337 FYSHNHNDTFEEQF-SNVBAGLBSA-N 425.319 6.448 30 10 IKEE CCCCCCC(=O)Nc1ccc(OCC(=O)Nc2sc3c(c2C#N)CCC3)cc1 1860160316 OCISNUORRYNIEA-UHFFFAOYSA-N 425.554 5.035 30 10 IKEE CCc1ccc(/C=C/C(=O)C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 1860721896 CMWRWXOEZPXKDS-OQLLNIDSSA-N 426.541 6.055 30 10 IKEE CCCCCCCCCCNC(=O)/C=C/c1cc(Br)c(OC)c(OC)c1 1861877368 WLQRQFGZEMCBGO-OUKQBFOZSA-N 426.395 5.736 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@@H]1c1ccccc1Cl 1862391725 HIGNILWKRYYDHQ-QHCPKHFHSA-N 439.983 6.451 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862509387 GXCPEUQKOXHGER-UZUQRXQVSA-N 439.527 5.690 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCC(C)C)cc1 1862510845 JHHZZNKTLUBAFQ-QHCPKHFHSA-N 439.527 5.547 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccccc2)cc1 1862515522 WUCAYQZJNKEIGM-KBMIEXCESA-N 441.527 5.815 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccc(F)cc2)cc1 1862529623 INSWOSHPCYWNGW-QHCPKHFHSA-N 433.454 5.306 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(OC)cc1 1862536242 URDVYIHQQUSVDR-RUZDIDTESA-N 449.591 6.196 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cc(Cl)cc(Cl)c1 1862553850 PEUZFBCQEFHOLM-NRFANRHFSA-N 442.342 5.637 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCc2ccc(Cl)cc2)cc1 1862589518 MSJGNSMSCAQGOA-HSZRJFAPSA-N 447.918 5.175 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCCOC)cc1 1862616557 QOUFBJDYVYSNCQ-QHCPKHFHSA-N 435.564 5.161 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(C(=O)OC)cc1 1862620682 XYEPNWGMVZYKJT-OPAMFIHVSA-N 449.547 5.148 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(O)cc1 1862698296 FTZZDUICCZZMTB-WMZHIEFXSA-N 437.536 5.338 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1cccc(Cl)c1 1862700557 JFSQFIVCIJSMGK-OAQYLSRUSA-N 427.928 5.507 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccc1[N+](=O)[O-] 1862717300 ADEPTZILTZPCBH-OYHNWAKOSA-N 430.460 5.125 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccccc1Cl 1862725466 JNVCHORJZNNZFH-DEOSSOPVSA-N 445.946 6.385 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C(=O)N1[C@H]1CCCC[C@@H]1C 1862746424 GALJPKZITWZJST-XUEUYAKLSA-N 434.492 5.060 30 10 IKEE CCc1nc(Nc2cccc(C#N)c2)cc(N2CCC(Oc3ccc(Cl)cc3)CC2)n1 1868268736 VGZYIIBOGNEEQT-UHFFFAOYSA-N 433.943 5.355 30 10 IKEE Cc1ccc(-c2nc(Nc3ccc(C#N)cc3)cc(N3CCO[C@H](c4ccccc4)C3)n2)cc1 1868329679 GGXHUMJPDUPMNW-VWLOTQADSA-N 447.542 5.645 30 10 IKEE C[C@@H]1CN(c2cc(Nc3cccc(C#N)c3)nc(C(C)(C)C)n2)C[C@H](c2ccc(F)cc2)O1 1868333801 UQZUNSMIYHERBH-VGOFRKELSA-N 445.542 5.495 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](NC(=O)[C@H](c1ccc(OC)cc1)C1CCCC1)c1ccccc1 1868884069 CNYPCDNQRIZQDX-IZZNHLLZSA-N 446.591 5.027 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](CCC)NC(=O)[C@@H](CC(C)C)c1cccc(Br)c1 1869012891 FWVXBPDCUOXIDI-SFTDATJTSA-N 449.433 5.064 30 10 IKEE CC(C)c1cc(C(C)C)cc(-n2nnc(C#N)c2NC(=O)/C=C/c2ccccc2Cl)c1 1870140658 CMATYTNBUYVNNB-MDZDMXLPSA-N 433.943 5.691 30 10 IKEE CCCCCCn1cc(OCCCC)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870181994 DYNDPEAJUFXONY-UHFFFAOYSA-N 441.641 6.092 30 10 IKEE CCCCCCCOc1cn(CCc2ccccc2)c(CSc2ccccn2)cc1=O 1870252181 HIHAAHRCLQMEMO-UHFFFAOYSA-N 436.621 6.128 30 10 IKEE CCCCCCCOc1cn(Cc2ccncc2)c(CN2CCc3ccccc3C2)cc1=O 1870412566 CJZDPHVYBVLEOT-UHFFFAOYSA-N 445.607 5.199 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2C)c(CN2C[C@@H](C)C[C@H](C)C2)cc1=O 1870412840 KJKWVDAGBIGZNE-GOTSBHOMSA-N 438.656 6.032 30 10 IKEE CCCCCCCCCCn1cc(OCC2CCCCC2)c(=O)cc1CN(CC)CC 1870485256 TZNABMXCKPEROQ-UHFFFAOYSA-N 432.693 6.790 30 10 IKEE CCCCCCCCCCn1cc(OCC)c(=O)cc1CNc1ccc(NC(C)=O)cc1 1870785325 OURKFZNDTQTDSB-UHFFFAOYSA-N 441.616 5.958 30 10 IKEE C=CCn1cc(OCc2ccc(OC)c(F)c2)c(=O)cc1CNc1cc(Cl)ccc1C 1870806375 GGBNCCQCSVYEJV-UHFFFAOYSA-N 442.918 5.335 30 10 IKEE C=CCOc1cn(CCCCCCCCCC)c(CNc2ccc(OCC)cc2)cc1=O 1870812948 PQULBAOLXCUUHS-UHFFFAOYSA-N 440.628 6.565 30 10 IKEE CCCCCCCOc1cn(CCCCCC)c(CNc2cccc(OC)c2)cc1=O 1870839695 XSXDKCLONCHEHA-UHFFFAOYSA-N 428.617 6.399 30 10 IKEE C#CCOc1cn(CCc2ccc(OC)cc2)c(CNc2ccc(C(C)(C)C)cc2)cc1=O 1871006606 NXTQSNUMAFNGCR-UHFFFAOYSA-N 444.575 5.021 30 10 IKEE COC(=O)c1ccc(/C=C2\Oc3c(ccc(OC(=O)CC4CCCCC4)c3C)C2=O)cc1 1871380236 DOJCHMMHLVMDPP-HMAPJEAMSA-N 434.488 5.274 30 10 IKEE Cc1cccc(OCCCCOc2ccc3c(c2C)O/C(=C\C=C\c2ccccc2)C3=O)c1 1871403786 ZZHHFBATYAOFIH-MBKNMMETSA-N 440.539 6.714 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OCCCCOc3ccccc3C)cc(C)c2C1=O 1871405395 QIXBNSLDWURRRJ-ONUIUJJFSA-N 428.528 6.466 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(O[C@H](C)C(=O)Nc3ccccc3)cc(C)c2C1=O 1871405791 PEHAXVCXZUXXBF-NQRZERFFSA-N 429.472 5.026 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O)Nc1cccc2ccccc12 1871452299 DGRILZMDEPPMRF-NARURQQJSA-N 447.490 6.030 30 10 IKEE C=CCN=c1nc(Nc2ccc(C(C)(C)C)cc2)[nH]c(N(CCCC)CCCCCC)n1 1871555068 ZMBBZTUQCQZVFG-UHFFFAOYSA-N 438.664 6.119 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(OC)cc2)[nH]c(N2CCC[C@@H](C)C2)n1 1871562085 ZYURBRILDHUPEH-LJQANCHMSA-N 426.609 5.054 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(OC)c(OC)c3)n2)cc1 1872762061 CBMKCJJHPSRCLY-HXUWFJFHSA-N 434.561 5.589 30 10 IKEE CCCCCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(OCC)cc3)cs2)cc1 1872768553 WKOGLSBTEZPMQV-QHCPKHFHSA-N 448.588 6.658 30 10 IKEE COc1cc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3C)cs2)ccc1OC(C)=O 1872769575 VTKZAULUGKXJMO-ZGBFETHSSA-N 446.528 5.251 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@H](C#N)C(=O)[C@H](C)Oc2ccc(C(C)C)cc2)n1 1872781871 ZCVQFMAVGYHXQI-PGRDOPGGSA-N 448.588 6.203 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)COc2cccc(C)c2C)n1 1872785821 WMVHDIBWPOGPDB-NRFANRHFSA-N 432.589 6.288 30 10 IKEE CCCCCCCCNC(=O)COc1ccc2c(C)c(CCCCCC)c(=O)oc2c1C 1873886208 MIVQRNAVXWRRPJ-UHFFFAOYSA-N 443.628 6.388 30 10 IKEE C=CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1ccccc1O 1874203127 LWZQRNYRNWIXJG-MFKUBSTISA-N 436.581 5.329 30 10 IKEE C(=N/n1c(CC23CC4CC(CC(C4)C2)C3)nnc1SCc1ccccc1)\c1cccnc1 1874243909 ZNNAOLKPOQOXOY-OGLMXYFKSA-N 443.620 5.607 30 10 IKEE Cc1ccc(C)c(OCc2nnc(SCc3ccccc3F)n2/N=C/c2ccc[nH]2)c1C 1874255632 BEZYRGKWKXQLOU-UVHMKAGCSA-N 449.555 5.424 30 10 IKEE C=C(C)CSc1nnc(COc2c(C)cccc2C)n1/N=C/c1cccc2ccccc12 1874300167 BJOXPMZLDJKOOE-JFLMPSFJSA-N 442.588 6.178 30 10 IKEE Cc1ccccc1/C=N/n1c(Cc2ccc(Cl)cc2)nnc1SCc1ccccc1 1874342444 QADWUFNMASOLSL-WGOQTCKBSA-N 432.980 6.005 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2ccc(Cl)cc2)cc1 1874349608 VBMSNPNDYWNOGP-WGOQTCKBSA-N 448.979 5.705 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1cccc(OCCC)c1 1874365416 ASNQUHHNZZHPCL-ZVHZXABRSA-N 426.973 5.938 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2cccc(Cl)c2)n1/N=C/c1cccc(O)c1 1874401018 FZBIEFJMZHWCOA-AEIQVQRHSA-N 448.979 5.963 30 10 IKEE C=CCSc1nnc(CCc2ccccc2)n1/N=C/c1cccc(OC)c1OCCC 1874403934 ZVJVUEPGJHDTGW-XIEYBQDHSA-N 436.581 5.021 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2[C@H]2CCCO2)cc1 1874441609 DLIRJBYWVAHUGK-NJRDNMGOSA-N 436.581 5.401 30 10 IKEE Cc1ccsc1/C=N/n1c(SCC(=O)Nc2ccc(F)cc2)nnc1C1CCCC1 1874452616 FIJSYNLMSNSCNO-FSJBWODESA-N 443.573 5.058 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2ccccc2C)c1 1874483689 HXYRMMMJLMHFCC-AFUMVMLFSA-N 435.597 5.114 30 10 IKEE C=CCSc1nnc(C(C)(C)C)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1874484725 KKBOXGFTYRJIFD-MFKUBSTISA-N 441.000 5.968 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874503968 DVXOVHHXYVSRAX-WSDLNYQXSA-N 429.933 5.275 30 10 IKEE CCCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1/N=C/c1ccc(C(C)C)cc1 1874507424 CCHWCZKFFCTGDN-CVKSISIWSA-N 449.624 5.584 30 10 IKEE CCOc1ccc(/C=N/n2c(CC)nnc2SCc2cccc3ccccc23)cc1OC 1874525875 JXEFPILGAHFBBM-WGOQTCKBSA-N 446.576 5.576 30 10 IKEE O=C(/C=C/c1cc(Br)ccc1OCc1cccc(Cl)c1)c1ccc(F)cc1 1874584123 XQWGHYBTBLXWIN-UXBLZVDNSA-N 445.715 6.717 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3cccc(C)c3)c2)c(OCC)c1 1874600453 NLGOLYGOTNMROC-GXDHUFHOSA-N 446.543 6.276 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccc(F)cc1 1874610468 UKXHSRWRTCAUEB-VGOFMYFVSA-N 447.462 5.946 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc(OC)c1OCC(=C)C 1874633391 AAGMMCHBUBUCGH-MDZDMXLPSA-N 426.940 6.245 30 10 IKEE C=C(C)COc1c(OCC)cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc1[N+](=O)[O-] 1874634698 PLPHZRHBCGIBBY-BQYQJAHWSA-N 445.899 5.815 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccc(F)c(C)c3)c2)cc1 1874694151 OCRBHUVIPGOKTQ-MDWZMJQESA-N 432.491 5.749 30 10 IKEE CCCc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)cc3)c2)cc1 1874697558 DDBSCYUXURZXGH-LICLKQGHSA-N 430.500 5.528 30 10 IKEE CCCCCCCCC(=O)Oc1cccc(/C=C/C(=O)c2cccc(Br)c2)c1 1874698026 HOMNKRPTQFBEMM-FOCLMDBBSA-N 443.381 7.001 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cc(C)cc(C)c3)c2)cc1 1874701365 PHWVFBAKHVFQEW-WUXMJOGZSA-N 430.500 5.826 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3cc(C)ccc3C)c2)cc1F 1874707812 XYUOTVITZLRPPJ-JXMROGBWSA-N 448.490 5.504 30 10 IKEE O=C(Cc1ccc(Cl)c(Cl)c1)Oc1cccc(/C=C/C(=O)c2ccc(F)cc2)c1 1874710385 ZMHHMVBQAGJZOR-VZUCSPMQSA-N 429.274 6.177 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc(Cl)c(Cl)c3)c2)c(C)c1 1874716341 NUMJKXPYULTQSP-JXMROGBWSA-N 439.338 7.034 30 10 IKEE O=C(Cc1ccccc1F)Oc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1 1875080258 GMIIRXZUGDXWDG-XDHOZWIPSA-N 436.482 6.537 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OC(=O)C1CCC1 1875098059 QCLUCZBJDXHYGX-NTCAYCPXSA-N 430.544 5.904 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)Cc3ccccc3)c(OC)c2)cc1C 1875107377 NEDXRRODIVXIJG-ZRDIBKRKSA-N 446.499 5.065 30 10 IKEE O=C(Cc1cccs1)Oc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1 1875109006 RMGIUSLFEKPLGL-LFYBBSHMSA-N 427.319 5.555 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2[N+](=O)[O-])cc1 1875126865 FPMRDOJBPQMGDA-GXDHUFHOSA-N 445.471 5.428 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Br)c1OC(=O)c1cccs1 1875128698 PTJSTKOIELRVMQ-MDZDMXLPSA-N 443.318 5.635 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OC(=O)C1CCCC1 1875148720 LTSIPOGHOBAOFQ-NTEUORMPSA-N 440.967 6.638 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1ccc(C)c(C)c1 1875151607 TXUCGJWURFTAKT-UXBLZVDNSA-N 444.483 5.546 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1Cl 1875154321 YVQXQRZTARKNEV-DTQAZKPQSA-N 440.926 6.928 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1ccc(F)cc1F 1875176315 BSNLSRODNKJRAD-IZZDOVSWSA-N 436.454 6.096 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3cccc(F)c3)c([N+](=O)[O-])c2)c(C)c1 1875183264 RRTWERJLXNYYBR-VQHVLOKHSA-N 433.435 5.774 30 10 IKEE CC(C)C(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1Br 1875189553 VZUJPCHPLLMMRE-XVNBXDOJSA-N 442.136 6.213 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2ccccc2Cl)cc1 1875192133 VPSFVUDTGCGUAE-XYOKQWHBSA-N 441.310 6.046 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N(CC)CC)n2CCCC 1875211725 KZSOFSGLOXTAIS-UHFFFAOYSA-N 429.653 6.266 30 10 IKEE COc1ccc(CN(Cc2ccccc2)Cc2cccs2)cc1B1OC(C)(C)C(C)(C)O1 1915410682 UGBXGAVVTVRKOI-UHFFFAOYSA-N 449.425 5.258 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](O)c1cc(Br)ccc1Cl 1922056444 XURORVPJADCTSW-SFTDATJTSA-N 438.793 5.277 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1945525519 PDXIKFMDCUSYFJ-MISYRCLQSA-N 429.561 5.274 30 10 IKEE C#CCCCCC1(C(=O)O)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1952040865 RTFWBIWKZGTLJN-UHFFFAOYSA-N 431.532 5.296 30 10 IKEE CC[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 2014647357 QRIQXCPCZYTFMA-FDDCHVKYSA-N 449.979 5.763 30 10 IKEE C=CCC1([C@@H](O)c2ccc(Cl)c(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2035955562 JULFMABMGHPUTQ-HNNXBMFYSA-N 434.733 5.088 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)Cc1cc(Cl)c(C)c(Br)c1 2048503441 LLEWWKCSMVJQFH-IAGOWNOFSA-N 432.786 5.174 30 10 IKEE CCC#CC[C@@H](NCCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071268400 XHFXIPPCCFTIPL-HHHXNRCGSA-N 427.588 6.689 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C12CCCC2 2072185619 OVSWZJADQANGEQ-DEOSSOPVSA-N 445.535 5.393 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Cl)cc1Br 2077810930 WLBLAJLCCLUIBG-DLBZAZTESA-N 429.786 5.060 30 10 IKEE CC(C)c1nn([C@H](c2ccc(C(F)(F)F)cc2)C(C)(C)C)c(Br)c1C=NO 2079848544 JIWUKIKVPYGLMZ-MRXNPFEDSA-N 446.311 6.231 30 10 IKEE CC[C@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(C)(C)C)c(C#N)c1Br 2080035136 QOMCNIZZHOOYLX-CQSZACIVSA-N 432.259 5.972 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCC[C@@H]2CSC[C@H]21 2087834032 OOKKBIPOTZNISV-ZTQAJYAQSA-N 437.403 5.616 30 10 IKEE CCCCCCCCCCCCC1(NC(=O)OC(C)(C)C)CCC2(CC1)OCCO2 2144384869 PFDVOPCGFRBMHV-UHFFFAOYSA-N 425.654 6.878 30 10 IKEE CCCN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1C#N 2174815390 SPEYVXBTCRGZEB-INIZCTEOSA-N 436.394 5.184 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCC)c2c(F)cc(Br)cc2F)C1 2183008211 MIWHRAZYWFFOHY-KRWDZBQOSA-N 445.348 5.239 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCCC)c2cc(Br)cc(OC)c2)C1 2201018215 QFEKEHMVMLXDCW-GOSISDBHSA-N 439.394 5.112 30 10 IKEE CN[C@H](C#Cc1ccccc1Br)c1ccc(NC(=O)OC(C)(C)C)c(F)c1 2235716358 FPPDKKPTGUINHG-GOSISDBHSA-N 433.321 5.247 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)[C@@](C)(CCC)NC(=O)OC(C)(C)C 2235732491 SEJSZAUQAAMSLL-SIKLNZKXSA-N 437.422 5.252 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2ccc(C#N)c(Br)c2)C[C@@H]2CCCC[C@H]21 2240972985 QPLGVZKNYAPRSP-UCLAIMLFSA-N 434.378 5.301 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(CC2CC2)C(=O)OC(C)(C)C)C[C@@H]2CCCC[C@H]21 2246646655 KDJDVJNWRUYCKH-GLDPYIMESA-N 433.593 5.095 30 10 IKEE CC1(C)OB(c2csc(C(=O)N(Cc3ccccc3)C3CCCC3)c2Cl)OC1(C)C 2247839961 FWPBPKMXRYIQTB-UHFFFAOYSA-N 445.821 5.286 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)CC(C)(C)C)s1 2247930778 KQBPGIPLFRBJPI-UHFFFAOYSA-N 427.419 5.044 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(F)cc1NC(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1 2255534758 LMLMTEXUKNUWNE-UHFFFAOYSA-N 434.317 5.128 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@@H](C#N)c1sc(Cl)cc1Br 2259920224 KRNVJETYTIBKGO-ZDUSSCGKSA-N 445.741 6.309 30 10 IKEE C=CCCC1([C@H](NC)c2ccc(Br)c(F)c2)CN(C(=O)OC(C)(C)C)C1 2266307170 FGDSBCUJJXFEOM-QGZVFWFLSA-N 427.358 5.052 30 10 IKEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)cc1 2267196313 OZIQGBYNHMQUED-KBAYOESNSA-N 444.381 5.083 30 10 IKEE CC1(C)OB(c2ccccc2NC(=O)N(Cc2ccccc2)Cc2cccs2)OC1(C)C 2267637187 JMSNBDKOCFTFDZ-UHFFFAOYSA-N 448.397 5.282 30 10 IKEE C=C(COCc1ccccc1)[C@@]1(OCCN)CN(Cc2ccccc2)C2(CCCCCC2)C1 2276524729 WRHSNVVMLJKCCG-LJAQVGFWSA-N 448.651 5.472 30 10 IKEE CC(C)[C@@H]1C[C@@](CCN=Cc2ccc(N(C)C)cc2)(c2ccc(F)cc2)C[C@H](C(C)C)O1 2297590553 WDVYMEQCQYFSKG-KUMHGWDASA-N 438.631 6.498 30 10 IKEE C=CCN1C(=O)C(=Cc2cc(Cl)ccc2OCc2ccccc2[N+](=O)[O-])SC1=S 2297624917 FTCOTZGNGPXQNG-UHFFFAOYSA-N 446.937 5.214 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C(=O)C=Cc3c(F)cccc3Cl)cc2)cc1OC 2314429347 FFAUJZBNCMWUJJ-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE O=C1C(=Cc2ccc(Br)cc2)Oc2cc(OCc3cccc(Cl)c3)ccc21 2314437495 NWFVTEQRVSZDKR-UHFFFAOYSA-N 441.708 6.298 30 10 IKEE CCCSc1nnc(C2CC2)n1N=Cc1ccc(OCCc2ccccc2)c(OC)c1 2320880362 YXSMHAGEGAFSGN-UHFFFAOYSA-N 436.581 5.170 30 10 IKEE COc1ccc(CN2COc3ccc4c(c3C2)OC(=Cc2ccccc2Cl)C4=O)cc1 2321944908 FWOPMHODPPWURF-UHFFFAOYSA-N 433.891 5.317 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc3c2CN(CCCCc2ccccc2)CO3)C1=O 2322249352 QAMRCLJNKXTLNY-UHFFFAOYSA-N 431.557 5.848 30 10 IKEE CCc1ccc([C@@H](C)N2COc3cc(C)c4c(c3C2)OC(=Cc2ccccc2)C4=O)cc1 2322260198 TZEPWDVTVKXIDT-LJQANCHMSA-N 425.528 6.087 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(Cl)cc1Cl)C3=O)CN(C[C@@H]1CCCO1)CO2 2322307667 GGCAKXLKGVCLLB-KRWDZBQOSA-N 446.330 5.249 30 10 IKEE CCc1ccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3cccc(Cl)c3)C4)C2=O)cc1 2322426754 NICZTEHHDARDEO-UHFFFAOYSA-N 445.946 6.179 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccccc2Cl)c1OCC(=O)OCC(C)C 2322436619 GEVPFNGVESFAEX-UHFFFAOYSA-N 437.319 5.476 30 10 IKEE O=C(C=Cc1c(OCc2ccccc2Cl)ccc2ccccc12)c1cccc(Cl)c1 2322524756 NSYAYWOBJPUBGF-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE COc1cc(Br)cc(C=CC(=O)c2ccccc2)c1OCc1ccc(F)cc1 2322547038 RHOMRNFXNKPNHU-UHFFFAOYSA-N 441.296 6.072 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)c4ccccc4C)cc(C)c3C2=O)cc1OC 2322681132 BOOQNHJZVNNUCD-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE COc1ccc(NN=Cc2cc(Br)c(O)c(Br)c2)cc1Cl 2322926387 RCOWMUUJKMDFFL-UHFFFAOYSA-N 434.515 5.025 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])cc(C)c3C2=O)cc1 2323154343 YWSJIMJDFODSNR-UHFFFAOYSA-N 445.427 5.137 30 10 IKEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)CCC(C)(C)C[C@H]1CNC(=O)OC(C)(C)C 2323299581 HMDMONIKDHRLJH-LVXARBLLSA-N 444.616 5.239 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(C)cc2)C3=O)cc1 2323374506 AWNYMUYIVXCNFK-UHFFFAOYSA-N 428.484 5.466 30 10 IKEE CCOc1c(Br)cc(C=CC(=O)c2ccc(Br)cc2)cc1OC 2323594926 UQRTWYPFSVRRQJ-UHFFFAOYSA-N 440.131 5.515 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(Cl)c1OCc1ccccc1Cl 2323602149 HHSLOFCWGBLHKU-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE Cc1cc(OC(=O)CC(C)C)cc2c1C(=O)C(=Cc1cc(Cl)cc3c1OCOC3)O2 2323766849 ICXGOWKTQYOZDS-UHFFFAOYSA-N 428.868 5.083 30 10 IKEE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1 2323812937 GLJIJWNKRHEGGT-UHFFFAOYSA-N 426.468 5.865 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3C)c(Cl)c2)cc1 2323832075 IHUHMLRIISXETF-UHFFFAOYSA-N 449.934 5.961 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)c(C)c1 2323854521 NDXVBHRSHBJRFH-UHFFFAOYSA-N 445.773 7.739 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OCc1c(Cl)cccc1Cl 2323914981 NTFBCDPFIZTYIB-UHFFFAOYSA-N 441.354 7.176 30 10 IKEE Cc1cc(OCCCOc2ccccc2)cc2c1C(=O)C(=Cc1ccc(C(C)C)cc1)O2 2324241150 KNBISNOFHPHOIE-UHFFFAOYSA-N 428.528 6.583 30 10 IKEE Cc1cc(OCC(=O)N[C@@H](C)c2ccccc2)cc2c1C(=O)C(=Cc1ccc(Cl)cc1)O2 2325019709 CLMOPKHNTZRLKW-KRWDZBQOSA-N 447.918 5.521 30 10 IKEE COc1ccc(C)cc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1cccc(C)c1)C2=O 2325119274 NVHLTAVTHQDCJT-UHFFFAOYSA-N 443.499 5.254 30 10 IKEE CC(C)OC(=O)c1ccc(COc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)o1 2325385349 VYJNZQKCEXZJOV-UHFFFAOYSA-N 438.863 5.693 30 10 IKEE O=C(C=Cc1ccc(Br)cc1F)C(=O)Nc1ccccc1Oc1ccccc1 2325702419 VFKVBWCRTLAXFL-UHFFFAOYSA-N 440.268 5.602 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3cccc(C)c3C)c2)cc1 2325711693 NKZKQNYEVMMOPS-UHFFFAOYSA-N 442.555 6.527 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3ccccc3OC)c2)cc1 2325712369 GEYZYYYLHHBRFB-UHFFFAOYSA-N 444.527 5.918 30 10 IKEE CC(C)c1ccccc1NC(=O)COc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O 2325725939 YDNGOTRFZOFZBT-UHFFFAOYSA-N 447.918 6.097 30 10 IKEE C=CCSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1ccccc1F 2325884081 ADUYGNRCJJCOEJ-UHFFFAOYSA-N 446.551 5.742 30 10 IKEE C=C(C)CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccc(C)cc1 2326130507 UQLZNFXBRWOOQK-UHFFFAOYSA-N 441.000 5.986 30 10 IKEE CCCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1cccc(C)c1 2326139993 NRHJZRNOXWMIGM-UHFFFAOYSA-N 428.989 5.820 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1N=Cc1ccc(OC(C)C)c(Cl)c1 2326224815 DNHZSBCPLBAILU-UHFFFAOYSA-N 443.016 6.236 30 10 IKEE CCCOc1c(Cl)cc(C=Nn2cnnc2SCc2ccccc2F)cc1Cl 2326258466 YAUGSDYYEFRAHB-UHFFFAOYSA-N 439.343 5.687 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1ccc(C)cc1 2326323682 AKGNTNMUCBVKQG-UHFFFAOYSA-N 434.609 5.711 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(OC(C)C)c(Cl)c1 2326356918 QAXYKHPBWYGAJR-UHFFFAOYSA-N 449.407 6.109 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1ccc(OC)c(OCC)c1 2326442593 IXZWTOQCAQDLEB-UHFFFAOYSA-N 438.597 5.429 30 10 IKEE CCc1nnc(SCc2ccc(Br)cc2)n1N=Cc1ccccc1Cl 2326619099 HSPGZFMKERAPSU-UHFFFAOYSA-N 435.778 5.431 30 10 IKEE CCc1nnc(SCc2cccc(F)c2)n1N=Cc1c(Cl)ccc(Cl)c1Cl 2326733598 YBPNNNGUPPSRHL-UHFFFAOYSA-N 443.762 6.114 30 10 IKEE CCCCC1CCC(c2nnc(SCCCO)n2N=Cc2ccccc2[N+](=O)[O-])CC1 2328191979 CBTHNEGZPIEKKT-UHFFFAOYSA-N 445.589 5.007 30 10 IKEE C=CCSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1c(Cl)cccc1Cl 2328796544 VRPNSTFVWZKSOV-UHFFFAOYSA-N 447.391 5.941 30 10 IKEE Clc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2cccnc2)cc1 2329102914 SZDGSJSDAIQLCE-UHFFFAOYSA-N 433.968 5.134 30 10 IKEE Cc1cccc(C=Nn2c(CCOc3ccccc3)nnc2SCc2cccc(F)c2)c1 2329174762 WFSMZQAPHRLCFO-UHFFFAOYSA-N 446.551 5.522 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2)n1N=Cc1ccccc1C(=O)O 2330108583 WRSAEJSOBRRKQT-GOSISDBHSA-N 442.544 5.303 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCCc2ccccc2)n1N=Cc1cccc(Cl)c1 2330115099 CZTBJYNAYXXPGA-LJQANCHMSA-N 447.007 6.300 30 10 IKEE CCCCOc1ccc(C=Nn2c(CC3CCCCC3)nnc2SC)cc1OCC 2330221517 RPZROIDLEYHPIV-UHFFFAOYSA-N 430.618 5.583 30 10 IKEE O=C(O)c1ccccc1C=Nn1c(SCc2ccccc2F)nnc1-c1cccs1 2330582265 NWCCKLUEURFOBR-UHFFFAOYSA-N 438.509 5.018 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1 2330595333 SYBFXIZNXKWNQZ-UHFFFAOYSA-N 432.519 7.031 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2-c2ccccc2)cc1OC 2330624139 WKINNYZWVKWSNQ-UHFFFAOYSA-N 444.560 5.445 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2-c2ccccc2)c(OC)c1 2330638303 XWMZWRRWELWWBW-UHFFFAOYSA-N 448.523 5.276 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cccc4ccccc34)cc2)cc1 2330824461 REZFDGOPHZZLDI-UHFFFAOYSA-N 448.562 7.227 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(OCC)cc3)cc2)cc1 2330824580 QJCWMGGFHAPTBT-UHFFFAOYSA-N 428.528 6.543 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc3ccccc23)n1N=Cc1cccc(Cl)c1 2330862771 FYIPPTLTDQPFSJ-UHFFFAOYSA-N 449.023 6.848 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(F)c3)c([N+](=O)[O-])c2)cc1C 2330867341 WUKVVVPTYIYXQW-UHFFFAOYSA-N 435.407 5.166 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(Cl)c3)c(OC)c2)cc1C 2330881063 JGXRLMMPMKKXRO-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1Cl 2331092546 QSRFXZQFRLPRNJ-UHFFFAOYSA-N 434.910 7.170 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)CC1CCCCC1 2331115688 NDZDYWSRIHSWBF-UHFFFAOYSA-N 447.358 6.774 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(C(F)(F)F)n1N=Cc1ccccc1Cl 2331164953 CJVBNXBYPJJUHR-UHFFFAOYSA-N 449.260 5.917 30 10 IKEE Cc1ccc(CSc2nnc(C(C)(C)C)n2N=Cc2ccc(Cl)cc2Cl)cc1 2331362330 XHRNMOUCFQLZCW-UHFFFAOYSA-N 433.408 6.365 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(C(C)(C)C)n1N=Cc1ccccc1C 2331370244 QYAUDUFWWRVZIS-UHFFFAOYSA-N 435.597 5.059 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)cc(OC)c1OC(=O)C1CCCC1 2331405127 UHEVHYCHPORKET-UHFFFAOYSA-N 448.515 5.187 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccc(F)cc2)cc1Cl 2331522941 PPHKIXZKFSCTEW-UHFFFAOYSA-N 438.882 5.922 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)Cc2cccs2)cc1 2331546003 PSLNEZYYXGAGQM-UHFFFAOYSA-N 434.557 6.098 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OC(=O)Cc1ccc(F)cc1 2331565549 PVBGWPJESMZUMD-UHFFFAOYSA-N 440.417 5.547 30 10 IKEE C=CCc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OC(=O)C(C)(C)C 2331656475 FDRMWJBXUAISBH-UHFFFAOYSA-N 434.576 6.505 30 10 IKEE COc1cc(C=Nn2c(SCc3ccccc3F)nnc2C(C)C)ccc1OC(C)C 2331698491 GHENNLFPKIRSKO-UHFFFAOYSA-N 442.560 5.511 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3ccccc3C)cc2)cc1C 2331704618 MJYMPTGGDFKOTR-UHFFFAOYSA-N 428.528 6.273 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SCc3ccccc3C)nnc2C2CC2)cc1 2331730146 VSRRWZXVROCIJG-UHFFFAOYSA-N 434.609 6.207 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)ccc1OC(=O)c1cccnc1 2331759107 JRVOEDMKCKRXLS-UHFFFAOYSA-N 437.879 5.176 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)CCCSC 2331779894 YHRAADZQLRDHEA-UHFFFAOYSA-N 426.578 5.955 30 10 IKEE Cc1ccccc1-c1ccc(-n2nnc(C#N)c2NC(=O)C=Cc2ccc(Cl)cc2)cc1 2332187525 PWQKGBGNAMITBD-UHFFFAOYSA-N 439.906 5.420 30 10 IKEE N#Cc1ccc(OCc2ccc(I)c(Br)c2)c(Cl)c1 2349925586 ORPZDHIKLPGMAU-UHFFFAOYSA-N 448.485 5.158 30 10 IKEE CCCN[C@@H](C#C[C@@H]1CC1(F)F)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2366730351 USHCNFQGCQQZHR-PBHICJAKSA-N 443.332 5.495 30 10 IKEE Cc1cc(CNc2cc(Br)ccc2Cl)cc(B2OC(C)(C)C(C)(C)O2)c1 2369681727 JHQQUFXXAKKSFQ-UHFFFAOYSA-N 436.586 5.322 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1c(C)c(C)c(Br)c(C)c1C 2372280193 TXMSFDJQBOLPDV-FXAWDEMLSA-N 437.422 5.250 30 10 IKEE C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)OC)[C@H]1CCc1ccoc1CNC1CCCCC1 1760104 UOIHMGVGVVIAEA-OEAWUUHTSA-N 441.656 6.586 30 10 IKEE biogenic CN1/C(=C/C(=O)CSc2ncc(C(F)(F)F)cc2Cl)C(C)(C)c2ccccc21 3288246 UHDCKBCKUYYEMY-RQZCQDPDSA-N 426.891 5.727 30 10 IKEE CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1Cl 9861344 YRYPSTAXPBKBDQ-XMMPIXPASA-N 443.374 6.691 30 10 IKEE Cc1cc(C)nc(N/C(=N/C(=S)Nc2cccc(C)c2Cl)NCc2cccs2)n1 14157182 WUPOZFPFKZYZMN-UHFFFAOYSA-N 445.017 5.071 30 10 IKEE CN(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(F)c2)cc1 21254142 FABYKDNOCWVEQO-WINIVTDRSA-N 427.523 5.871 30 10 IKEE Cc1ccc(-c2ccc(CCC(=O)NCc3cccnc3)n2-c2ccc(CC#N)cc2)c(C)c1 23460753 IERHKKOSUIPFOS-UHFFFAOYSA-N 448.570 5.471 30 10 IKEE C=C(C)CNC(=O)c1ccc(-n2nc(C(=O)OCC)cc2-c2ccc3ccccc3c2)cc1 25142256 VOPDVUPELHFYMS-UHFFFAOYSA-N 439.515 5.175 30 10 IKEE Cc1ccc(C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)c2nc3ccccc3o2)cc1 33633948 OSKFBRDHMDXVKP-CJLVFECKSA-N 439.898 7.473 30 10 IKEE C=CCC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)CC(C)C 36346779 RZITUVPRJDDNCW-XMMPIXPASA-N 447.623 5.973 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCc4c(F)c(F)c(F)c(F)c4F)ccc3C2=O)cc1 39754261 OHWXPAKDJYOROR-IUXPMGMMSA-N 448.343 5.586 30 10 IKEE COc1ccc(NC(=O)c2oc3c(c2C)/C(=N/Nc2ccc(F)cc2)CCC3)c(OC)c1 40823856 LUIHFVJRMQGWQL-TURZUDJPSA-N 437.471 5.149 30 10 IKEE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1/C(=N/Nc1ccc(F)cc1)CCC2 40823881 FAVFUPQSRVNIGD-UXHLAJHPSA-N 445.416 6.151 30 10 IKEE C=C(C)COc1ccc([C@H]2Nc3ccccc3C(=O)N2CCc2ccccc2)cc1OC 66132562 ACAJRFWCOOKJOH-SANMLTNESA-N 428.532 5.459 30 10 IKEE CCCOc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccc(C)c(C)c3)N(CC)C2=O)cc1 96822717 UGMUOQCCZQXROV-JXDROGBKSA-N 439.581 5.072 30 10 IKEE CCCCCCCC[C@@](C#C[C@H](O)c1ccc(C)cc1)(OCC)n1nnc2ccccc21 102996992 KUQQPHCCYAFVIZ-SVBPBHIXSA-N 433.596 5.917 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2c2ccc(C)cc2)cc1 169925262 RERBMTRZCBVWQY-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE COc1ccccc1-c1csc(N/N=C\c2cc(Cl)c(OC(C)C)c(Cl)c2)n1 169941870 XIGDEPLFHOSHHF-RMORIDSASA-N 436.364 6.359 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccccc2OC)cc1 169942208 FZOJIGYLQSGAAE-QHCPKHFHSA-N 447.918 5.694 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccc2OC)cc1 169946095 AUFYPFRDOCQTGN-DEOSSOPVSA-N 427.500 5.349 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccc(O)cc2)c1 169964969 UCNRWWSVTQJADZ-DEOSSOPVSA-N 445.490 5.235 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2cccs2)ccc1F 169982211 DTOKZLIHDDNPCE-NRFANRHFSA-N 436.508 5.045 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2cccs2)cc1 169983813 HCJHCJAZZLBAEU-HXUWFJFHSA-N 425.456 5.372 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@@H]1c1cccnc1)c1cccc(Cl)c1 170008170 LVRIJRHNYOQBGR-HSZRJFAPSA-N 440.886 5.671 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCC2)cc1 170033915 JPCPAEQJYQWIFN-JOCHJYFZSA-N 439.939 5.650 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc2ccccc12)c1c[nH]c2ccccc12 170045294 MHYNQVAZFZDMHB-RUZDIDTESA-N 448.478 5.693 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccc(F)cc2)cc1 170063126 DDDRUXUJJLEOKH-JOCHJYFZSA-N 435.882 5.824 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2ccccc2)cc1 170113571 OVSDLOMDUSDVQT-DEOSSOPVSA-N 443.499 5.265 30 10 IKEE CN(C)c1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C2CCCC2)cc1 170130033 VYOBRAZCSUEYMN-VWLOTQADSA-N 440.543 5.427 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(N(CC)CC)cc1 170138722 LFMOLRYTDJHHEA-QHCPKHFHSA-N 432.520 5.267 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1OC(C)C 170151282 KIJBSZFBURASHE-HXUWFJFHSA-N 448.346 5.769 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@H]1c1ccccn1 170172251 AJKJJYZNTQQVHI-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1ccncc1 170206433 IBRUWWPJIJHDAS-JOCHJYFZSA-N 444.874 5.573 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(Cl)ccc3OC)[C@H]2c2ccccc2)cc1 170224765 BPSMRYQJSWYJRU-JOCHJYFZSA-N 449.890 5.140 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(F)cc2)ccc1F 170237381 JZEYRPBBLKHBLK-FQEVSTJZSA-N 425.456 5.113 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(F)cc2)cc1 170241157 VBQGXXDIVSLKED-HSZRJFAPSA-N 449.478 5.232 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2C2CCCC2)cc1 170246334 YLFGQTMXGLEHPJ-NSYGIPOTSA-N 445.559 5.654 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1c1cccc(F)c1 170270929 NLVQMOZJNJOOPA-RUZDIDTESA-N 437.470 6.070 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccc2C)c1 170273023 VGPMZOPLQUCJGW-VWLOTQADSA-N 441.527 5.875 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2ccco2)c1 170282779 JRYMGMKJRWFYTK-HSZRJFAPSA-N 429.472 5.004 30 10 IKEE CC(C)COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cccc(O)c2)cc1 170385244 IUODSTCLYIEXHV-JOCHJYFZSA-N 449.528 5.271 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(OC(C)C)cc2)cc1 170393272 RXIAVYQUHNZQJO-QHCPKHFHSA-N 447.556 5.881 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(C(C)C)cc2)ccc1O 170463698 BXBILAWNMMWJLG-XMMPIXPASA-N 437.536 5.430 30 10 IKEE CCCCCCCC/C=C\CCCCCCCC(=O)N(CCOCC)CCOCC 198881858 OLRUHEYEGYYXPI-YPKPFQOOSA-N 425.698 6.926 30 10 IKEE Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(N=Cc3c(Cl)cccc3Cl)cc1)N2 254393285 CWPKVJRKDYJFFN-BVFVYWQFSA-N 433.382 7.879 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Br)cs1)NCCC 406315765 OSJYKOGJZIJQAV-DLBZAZTESA-N 431.440 5.281 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cn(C)c3ccccc23)c1 526489364 RDNDCPQKXOSKDT-SANMLTNESA-N 449.510 5.506 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3cccc4ccccc34)[C@H]2c2ccc([N+](=O)[O-])o2)c1 526521887 UJKQVZSGWBUIBS-HSZRJFAPSA-N 437.411 5.270 30 10 IKEE Cc1cccc([C@H]2C(c3cccc(OCC(C)C)c3)=C(O)C(=O)N2c2ccccc2C#N)c1 526604896 LPEWCDISGSNFFY-SANMLTNESA-N 438.527 5.959 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cn(C)c3ccccc23)c1 526607121 RLTKQSIYLPSERZ-VWLOTQADSA-N 435.483 5.116 30 10 IKEE Cc1nnc(SCc2ccc(F)cc2)n1/N=C\c1ccccc1OCc1ccccc1 526801461 SOIDKKQJXFHSHG-YSMPRRRNSA-N 432.524 5.479 30 10 IKEE CCOc1cc(/C=N\n2c(CC)nnc2SCc2cccc(C)c2)ccc1OC(C)C 526808138 OPVJVFPRBXYHRT-MYYYXRDXSA-N 438.597 5.509 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1ccc(C(C)C)cc1 526815405 UDJMFMOIGYTODM-MSXFZWOLSA-N 433.408 6.445 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1cccc(OC(C)C)c1 526816974 RILDPWXKFPIFCO-OYKKKHCWSA-N 428.989 5.846 30 10 IKEE CCCCOc1cccc(/C=N\n2c(CC)nnc2SCc2cccc3ccccc23)c1 526821215 HAZZZXXBFPHJJS-IMRQLAEWSA-N 444.604 6.347 30 10 IKEE CCCCCCCCCCCCC[C@H](OC)[C@@H](O)[C@H](O)CCOC(=O)c1ccccc1 585667890 QYIXQJPTLUBFQX-DSITVLBTSA-N 436.633 5.671 30 10 IKEE C=CCN(CC=C)C(=O)c1cccc(NC(=O)Nc2cccc(C(=O)OCCCC)c2)c1 586716134 JSTABFMZQXTVJP-UHFFFAOYSA-N 435.524 5.102 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1ccc(C(F)F)cc1 698496166 GROMZESHTXJTEC-KRWDZBQOSA-N 437.284 6.393 30 10 IKEE C[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)CCN1C(=O)OC(C)(C)C 698897156 YEKMRCBYYNDVDY-HJPURHCSSA-N 433.524 5.249 30 10 IKEE CC(C)[C@@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 698948159 WJIOZMPIYANWDS-MOPGFXCFSA-N 435.540 5.256 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C#N)(Cc1c(F)ccc(Br)c1F)C2 712807665 RKIAAVBAWJCMGD-STQMWFEESA-N 441.316 5.342 30 10 IKEE O=[N+]([O-])c1ccc(-c2ccc(C=NNc3nc4ccccc4s3)o2)c(Br)c1 1083977650 PZFIOZNKBZRUOP-UHFFFAOYSA-N 443.282 5.673 30 10 IKEE O=C1/C(=C/c2cc(Cl)ccc2O)SC(=NN=Cc2cccs2)N1Cc1ccco1 1772757873 UXRQJSPKXQFUSA-ULAWJTDCSA-N 443.937 5.207 30 10 IKEE C=CCN1C(=O)[C@@H](CC(=O)c2ccc(OC)cc2)SC1=Nc1cccc2ccccc12 1772760077 OSFUNMCFPKSQOK-HSZRJFAPSA-N 430.529 5.239 30 10 IKEE N#Cc1cccc(C(=O)NCc2ccc(OC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)c1 1858913241 XWOYAUQNMCUXQS-UHFFFAOYSA-N 440.286 5.406 30 10 IKEE Cc1cccc(Cn2nc(C(=O)Nc3ccccc3C#N)c(Cl)c2-c2ccc(F)cc2)c1 1859385337 MATQZEHRHJDEFA-UHFFFAOYSA-N 444.897 5.823 30 10 IKEE CC(C)N(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)c(Cl)c1 1859878610 VMOGAFFTZVSMPF-UHFFFAOYSA-N 427.747 6.572 30 10 IKEE CSCc1ccc(C(=O)Nc2cc(NC(=O)c3cccc(C#N)c3)ccc2Cl)cc1 1860461500 CWTPOYJEFZKFTE-UHFFFAOYSA-N 435.936 5.579 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)c1ccc(OCCCCCC)cc1 1861523977 GGZFUMVTGNAMPK-RUZDIDTESA-N 446.676 6.411 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1cccc(O)c1 1862382947 PPQLEYHQAJSFJX-LJQANCHMSA-N 434.319 5.323 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@@H]1c1cccc(Cl)c1 1862391903 KXAQJSIDBXKXBQ-QHCPKHFHSA-N 439.983 6.451 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccccc1F 1862401434 ASWFFCNBMVOYML-JOCHJYFZSA-N 425.500 5.301 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccccc2)cc1 1862431872 QHLDMSZDXRNBIG-JOCHJYFZSA-N 433.891 5.127 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccc(N(C)C)cc2)cc1 1862477632 OGLGKQIHXIUONN-CLOONOSVSA-N 440.543 5.401 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@H](C)c2ccccc2)c1 1862478528 JGVUEPQZMCJDLB-CLOONOSVSA-N 441.527 5.733 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc(N(C)C)cc2)c1 1862492832 BDKOREZDFBGMLJ-CYSDGLOUSA-N 446.591 5.526 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2C2CCCCCC2)c1 1862502274 VQBZSTDSIDFGDF-HSZRJFAPSA-N 437.511 5.444 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2cccc(F)c2)cc1 1862529675 IZXSBWKZMZAMND-HSZRJFAPSA-N 433.454 5.306 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2cccc(Cl)c2)cc1 1862535194 BPZRFEVHODJUGE-VZPUWSDOSA-N 437.967 6.059 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(OC)c1 1862581334 FBTFTGBRWFRXTC-CWTRNNRKSA-N 434.319 5.379 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1ccc2cc[nH]c2c1)c1ccc(Cl)c(Cl)c1 1862584381 XJPJHBWXUVFJFS-LJQANCHMSA-N 427.287 5.215 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc(Cl)c1 1862653192 OCUDXVXUOVZLFA-HSZRJFAPSA-N 449.934 5.497 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccccc2Cl)cc1 1862689715 XQVINOKKHVQDMU-MWTRTKDXSA-N 447.918 5.688 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cc(Cl)cc(Cl)c1 1862691103 YFKROGKHFZDDNQ-HXUWFJFHSA-N 448.346 5.771 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(O)cc1 1862698297 FTZZDUICCZZMTB-XXBNENTESA-N 437.536 5.338 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)c1 1862703186 DDIZHNGJLGTGRH-CUHUQNRHSA-N 449.547 5.251 30 10 IKEE Cc1ccc(C)c(NC2=C(c3c[nH]c4ccccc34)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1863132284 ZXKAUDXQEIHQIR-UHFFFAOYSA-N 432.483 5.053 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2F)C(=O)N(Cc2ccc(F)cc2)C1=O 1863643274 UIIRMNRJSHJXRR-UHFFFAOYSA-N 426.507 5.195 30 10 IKEE CCc1nc(Nc2ccccc2C#N)cc(N2CCC[C@H]2c2ccc(C(F)(F)F)cc2)n1 1868286266 DCHQYZMZDUVTMQ-FQEVSTJZSA-N 437.469 6.015 30 10 IKEE Cc1ccc(C)c2c1C[C@H](C)CN2c1cc(Nc2ccc(C#N)cc2)nc(-c2ccccc2)n1 1868376241 JFXPYIAVAOVQCL-IBGZPJMESA-N 445.570 6.706 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](CCCC)NC(=O)[C@H](c1ccc(Cl)cc1)C1CCCC1 1868880287 ZNYQLBKGDGTKNO-PKTZIBPZSA-N 431.020 5.489 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccccc2Cl)cn1CCc1ccccc1 1870338362 DSPDUBQCGJQIET-UHFFFAOYSA-N 448.994 5.497 30 10 IKEE CCCCCCCCCCn1cc(OCCCC)c(=O)cc1CN1C[C@H](C)O[C@@H](C)C1 1870663915 STZCXTFGXBCEFH-GOTSBHOMSA-N 434.665 5.777 30 10 IKEE C=CCOc1cn(Cc2cccnc2)c(CNc2ccc(Oc3ccccc3)cc2)cc1=O 1870810667 MMOXMHKTPIFVTP-UHFFFAOYSA-N 439.515 5.261 30 10 IKEE C=CCn1cc(OCCCCC)c(=O)cc1CNc1ccc(OCc2ccccc2)cc1 1871128684 JYGCYNFIGRZBHN-UHFFFAOYSA-N 432.564 5.794 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc4c3CN(C[C@H](O)c3ccc(Cl)cc3)CO4)C2=O)cc1 1871352904 HDTLZRJXVAXKKV-LRRLVBENSA-N 447.918 5.150 30 10 IKEE Cc1c(OC(=O)C(c2ccccc2)c2ccccc2)ccc2c1O/C(=C\c1cccnc1)C2=O 1871371902 OOQLWBPIQWURDZ-UQQQWYQISA-N 447.490 5.744 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OC(=O)c4ccc(Cl)c(Cl)c4)ccc3C2=O)c1 1871372272 IKESUUSVQTXRJT-FBHDLOMBSA-N 441.266 5.837 30 10 IKEE CCOc1ccc(CC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871375571 SSMKEBCDLHFIMH-UCQKPKSFSA-N 448.902 5.811 30 10 IKEE Cc1cc(OC(=O)c2ccc(OCC(C)C)cc2)cc2c1C(=O)/C(=C/c1ccccn1)O2 1871384080 XEGZLZGVWXDSFB-QRVIBDJDSA-N 429.472 5.260 30 10 IKEE COc1ccc(/C=C2\Oc3c(CN(Cc4ccccc4)C(C)C)c(O)cc(C)c3C2=O)cc1 1871393641 AXCLBAZBADPTEN-MYYYXRDXSA-N 443.543 5.736 30 10 IKEE Cc1c(OCCCCOc2ccccc2)ccc2c1O/C(=C\c1cccc(Cl)c1)C2=O 1871403436 LPGBNYPCWPXGJE-ULJHMMPZSA-N 434.919 6.503 30 10 IKEE Cc1cccc(OCCCCOc2ccc3c(c2C)O/C(=C\c2ccccc2Cl)C3=O)c1 1871403440 LXOSTQZLMXWANS-UQQQWYQISA-N 448.946 6.811 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCCCOc4ccc(C)cc4)cc(C)c3C2=O)cc1 1871405322 JENOOTOFGACIMW-XYGWBWBKSA-N 430.500 5.776 30 10 IKEE Cc1c(Cl)cccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O 1871427106 NWINEGWHQQBNBT-JJFYIABZSA-N 437.854 5.421 30 10 IKEE CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O 1871435160 YFLWDYQSLCUGKJ-QOYJSAPCSA-N 435.303 5.720 30 10 IKEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1872077877 CRXZRMCBZAEBBN-XMMPIXPASA-N 442.625 5.096 30 10 IKEE C=C(C)CN([C@@H](C)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872433918 VFMVOYPBLOZLFO-FQEVSTJZSA-N 428.598 5.021 30 10 IKEE Cc1ccccc1OCCCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872762700 URFMNLIXOGTONE-KRWDZBQOSA-N 445.371 6.461 30 10 IKEE N#C[C@@H](C(=O)CCCOc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2)cs1 1872767156 UFGZMVOYZRWIKR-SFHVURJKSA-N 431.344 6.152 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1 1872767910 DQWCUJMUHIMYJU-HNNXBMFYSA-N 427.869 5.260 30 10 IKEE COc1cc(OC)c(-c2csc([C@@H](C#N)C(=O)c3ccc(C)c(C)c3)n2)cc1Cl 1872783154 SNCYARUKOVWSLO-INIZCTEOSA-N 426.925 5.588 30 10 IKEE CC(=O)Nc1ccc(CC(=O)[C@H](C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1 1872786157 ZSUSKGRJMAXLSA-QFIPXVFZSA-N 445.588 5.793 30 10 IKEE CSc1cccc(NC(=O)c2cccc(CSc3nc(C)c(C)c(C)c3C#N)c2)c1 1872893149 JTOHVGOYBZTOBT-UHFFFAOYSA-N 433.602 6.145 30 10 IKEE CCCCCCCCNC1=C(c2ccc(F)cc2)C(=O)N(CCCCCCCC)C1=O 1873137015 FPVHCWZUMMIFBZ-UHFFFAOYSA-N 430.608 6.216 30 10 IKEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3ccccc3OC(C)C)c(=O)oc2c1 1873924573 JZAPZXABZFHNIB-UHFFFAOYSA-N 435.520 5.415 30 10 IKEE CCCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1cccc(C)c1 1874203109 LJPJUMRQRMTIFN-WGOQTCKBSA-N 436.625 6.156 30 10 IKEE CCc1ccc(OCCCc2nnc(SCc3ccccc3)n2/N=C/c2ccc[nH]2)cc1 1874224437 LELBIDGUMHKGBZ-OVVQPSECSA-N 445.592 5.355 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1ccc(Cl)cc1 1874249864 LSXACLIFSDGCSE-LFVJCYFKSA-N 426.973 5.412 30 10 IKEE CCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1c(Cl)cccc1Cl 1874276275 DCNXSRVDMULBGU-FSJBWODESA-N 439.799 6.018 30 10 IKEE C=C(C)CSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1ccccc1Cl 1874287852 AFVHVIVFLFOGJY-MFKUBSTISA-N 431.049 6.946 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(OC)cc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874305543 CSQCBOIQIRWYKS-WPWMEQJKSA-N 448.636 5.920 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccccc2)cc1C 1874357338 BQAAKIYVUZYALF-JVWAILMASA-N 430.552 5.799 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(CCc3ccccc3C)nnc2SCc2ccccc2)c1 1874362676 QPBZFFPAXFEOMP-WPWMEQJKSA-N 442.588 5.560 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccco1 1874363435 FGVIHFREYWPOLJ-MFKUBSTISA-N 436.968 5.793 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2cccc(F)c2)nnc1[C@@H](C)c1ccccc1 1874393017 AUOLYHBGUQMAKO-FQNOVECQSA-N 430.552 6.052 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2ccccc2)n1/N=C/c1cccc(F)c1 1874396445 JBLNFJFXOHCVJS-WPWMEQJKSA-N 430.552 5.685 30 10 IKEE C=CCSc1nnc(CC2CCCCC2)n1/N=C/c1cc(Br)ccc1O 1874409373 TZUKHGIJTHRKNF-FYJGNVAPSA-N 435.391 5.029 30 10 IKEE O=[N+]([O-])c1ccc(/C=N/n2c(SCc3ccccc3F)nnc2-c2cccs2)cc1 1874422428 LMZAVXVJBTYGAF-WSDLNYQXSA-N 439.497 5.228 30 10 IKEE COc1cccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2-c2ccccc2)c1 1874428680 WJYULELEIROYIS-WGOQTCKBSA-N 428.561 5.745 30 10 IKEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3cccc(C)c3)nnc2C2CCCC2)cc1 1874452657 GVBNITGIWJLITG-WGOQTCKBSA-N 447.608 5.420 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SCC)nnc2-c2ccco2)cc1OCC 1874465142 VDNUSEXKELHEIK-XQNSMLJCSA-N 428.558 5.500 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2ccc([N+](=O)[O-])cc2)nnc1C1CC1 1874518273 LRDPPSOMMINRGC-OEAKJJBVSA-N 437.525 5.027 30 10 IKEE COc1cccc(/C=C/C(=O)c2cccc(Cl)c2)c1OCC(=O)Nc1c(C)cccc1C 1874577204 BUEKFJXGIPTUGC-BUHFOSPRSA-N 449.934 5.879 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1cccc(Br)c1 1874595030 QEOBMUPMTFGCDX-FMIVXFBMSA-N 438.277 5.832 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1)c1ccc(Br)cc1 1874607970 PLOYBVOJNZTAQV-ONNFQVAWSA-N 445.715 6.717 30 10 IKEE C=CCOc1ccc(/C=C/C(=O)c2ccc(OCCC)c(OCCC)c2)cc1[N+](=O)[O-] 1874612925 SMWDUMSGSVBQNX-JXMROGBWSA-N 425.481 5.633 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)ccc1OCc1ccccc1Cl 1874623666 PEYBLKFEMTWZJG-DHZHZOJOSA-N 440.898 6.362 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OCc2ccc(C)cc2)c([N+](=O)[O-])c1 1874629671 OFPSMBYDGPHTAB-PKNBQFBNSA-N 431.488 6.004 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3c(C)cccc3C)c(Cl)c2)cc1C 1874631552 INFJZSBSAKBUFH-FMIVXFBMSA-N 447.962 6.487 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OCC(=O)NCc1ccccc1 1874635783 YBRKJQAPZWAZTI-ZRDIBKRKSA-N 443.543 5.212 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1C 1874636877 WVOGSCAQSJPDKB-VQHVLOKHSA-N 441.354 7.094 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 1874701612 BKZXAXLGNIQFGM-GIDUJCDVSA-N 431.444 5.499 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cccc(OC(=O)Cc2ccccc2[N+](=O)[O-])c1 1874713240 MZRAXECPIZPBLT-VAWYXSNFSA-N 445.471 5.264 30 10 IKEE CCCCC1CCC(C(=O)Oc2cccc(/C=C/C(=O)c3cc(C)cc(C)c3OC)c2)CC1 1874713500 ZPSLKJYQKXQUBR-DTQAZKPQSA-N 448.603 7.110 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(Cl)cc3)c2)cc1Cl 1874716912 OZOAGCCPIMGSIL-YRNVUSSQSA-N 441.310 6.046 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3ccccc3C)c(OC)c2)c1 1875102003 VJOAMQNSPXAFHU-VAWYXSNFSA-N 436.891 5.781 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC 1875117821 OIDFAFXZNAFNJP-KPKJPENVSA-N 431.872 5.639 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)c1cc(C)cc(C)c1 1875119562 APRGISYVIQPEJG-ZRDIBKRKSA-N 430.500 5.826 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)c1cccc(C)c1 1875125997 KYYIGGJUOFIISV-KPKJPENVSA-N 436.891 5.781 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)CSc3ccccc3)c(Cl)c2)c(C)c1 1875131852 RDANFYWEWFYTRX-FMIVXFBMSA-N 436.960 6.551 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3c(F)cccc3Cl)c(Cl)c2)cc1 1875133440 VCRXSBOFQUROEY-YRNVUSSQSA-N 429.274 6.556 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)c1c(F)cccc1Cl 1875134298 OZZVNUZCIIALKF-DHZHZOJOSA-N 438.882 6.220 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1cc(C)cc(C)c1 1875144097 FKISNEPRPITOKY-VQHVLOKHSA-N 430.500 5.744 30 10 IKEE C=C(COC(C)C)[C@H](N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875652508 SRPOLXJPJHJQEV-WUFINQPMSA-N 447.575 5.187 30 10 IKEE C#CCn1c(CC)nc(-c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)c1N 1875670891 GBFPFRDOUWQDIB-UHFFFAOYSA-N 437.543 5.486 30 10 IKEE Cc1ccc2c(C(=O)N3CCC(N(C)c4cc(C#N)ccn4)CC3)cc3c(C)cccc3c2c1 1891673989 SFXPDPYQYKRMCH-UHFFFAOYSA-N 448.570 5.618 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@H](CNC(=O)OC(C)(C)C)C1CCC1)NCCC 1922066718 WAXAVLZBGWYPLI-RPWUZVMVSA-N 430.633 5.459 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C1 1944698496 RTHCBZKWPUWGGO-APWZRJJASA-N 449.979 5.621 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)cc1 1945524708 NPMUTLPTOFHZBC-MISYRCLQSA-N 429.561 5.274 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1949111871 PRVOMPZDYGDDTG-IEGUWTFLSA-N 447.963 5.373 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@]1(C#N)Cc1cc(Br)ccc1Br 1982476673 VNVHQYWGHWOFNV-QGZVFWFLSA-N 444.167 5.047 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1991919665 NWNXURYWGZOKPZ-ZWKOTPCHSA-N 435.952 5.373 30 10 IKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCN(C(=O)OC(C)(C)C)CCC1(F)F 2020298325 SQIUCDUDONDOLK-IERDGZPVSA-N 445.551 5.341 30 10 IKEE C=CCCCCCC[C@H](NCC)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2026015764 WLXKEJWXAPATMD-NHTMILBNSA-N 432.649 5.990 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)CCC1(C)C 2038519136 JXOMHRNBZBEXLX-DEOSSOPVSA-N 447.551 5.639 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)[C@@H]2CCCC[C@@H]21 2058930100 QLEJZBJUFGRGAJ-RNHFSVANSA-N 447.620 5.628 30 10 IKEE CCCOc1ccc([C@H](CC)n2nc(C(F)F)c(C#N)c2I)cc1 2080079135 CVKYNODEOOSSCT-AWEZNQCLSA-N 445.251 5.085 30 10 IKEE COc1ccc([C@H](n2nc(C(F)(F)F)c(C#N)c2Br)C2(C)CC2)cc1F 2080119589 MZSPWROWFGDSQR-AWEZNQCLSA-N 432.215 5.073 30 10 IKEE N#Cc1cc(Br)ccc1OCc1cccc(Br)c1Br 2092337885 MYQPCTMXXFBNLE-UHFFFAOYSA-N 445.936 5.425 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@]1(O)CN(Cc2ccccc2)C2(CCCCC2)C1 2100074126 HSZZMBFGYOOFGU-YTMVLYRLSA-N 448.651 5.077 30 10 IKEE CCCC#CC[C@@H](NC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2138993131 GLDIZJKNWLRGNL-UHSQPCAPSA-N 443.587 5.660 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCCCCCC1(F)F 2152778349 MLNMMSWMLXMKBV-LJQANCHMSA-N 443.332 6.442 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@@H]2Nc2ccc(Br)c(C#N)c2)C1 2156240989 FVQQQNHMLOIQKZ-GHTZIAJQSA-N 434.378 5.302 30 10 IKEE CCN(Cc1cccc(Nc2cc(Br)cc(C#N)c2)c1)C(=O)OC(C)(C)C 2162420977 CEOMCUQAGPXGRN-UHFFFAOYSA-N 430.346 5.821 30 10 IKEE CC(C)(C)OC(=O)N1CCCc2ccc(Nc3ccc(C#N)cc3Br)cc21 2162421693 FXNLRGXTHMGNND-UHFFFAOYSA-N 428.330 5.752 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C(=O)NC2(C#N)CCCCCC2)cc1Br 2181049208 VSCISGIVMZIXDR-UHFFFAOYSA-N 436.350 5.142 30 10 IKEE COc1cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(C)cc2)ccc1Br 2192141133 YITVRMWPYWVHLQ-SFHVURJKSA-N 431.330 5.773 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCCNC12CCCC2 2204348790 RBWVSKFJOFKQEY-NRFANRHFSA-N 434.378 5.149 30 10 IKEE C=CCCCCC[C@@H](N)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229138810 SQWHFEDYHGRAAA-RTBURBONSA-N 425.411 5.349 30 10 IKEE Cc1cc(Oc2ncccc2B2OC(C)(C)C(C)(C)O2)cc(C)c1NC(=O)OC(C)(C)C 2232314542 UYYNYHMPGGRXFW-UHFFFAOYSA-N 440.349 5.137 30 10 IKEE CCC[C@@]1([C@H](N)C#Cc2ccccc2Br)CCCCN1C(=O)OC(C)(C)C 2235724886 GTSRPUNQWWLOLI-KNQAVFIVSA-N 435.406 5.088 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)CCC[C@H](C)NC(=O)OC(C)(C)C 2235746761 LITLYZJRSJASFA-HKUYNNGSSA-N 437.422 5.252 30 10 IKEE CC#CCCC[C@H](NCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237420602 UTEVYYNAKUDYDQ-VQTJNVASSA-N 437.422 5.057 30 10 IKEE CCc1ccc(C#C[C@@H](N)c2cc(NC(=O)OC(C)(C)C)ccc2Br)cc1 2239638803 RRJGQYXAJNRARY-HXUWFJFHSA-N 429.358 5.410 30 10 IKEE C=C(COCc1ccccc1)[C@H](CCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)NCCC 2253201859 JNKHCGQEXZAVFT-VWNXMTODSA-N 430.633 5.555 30 10 IKEE CCCCCCCC[C@H](NCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2256705124 VBAQRSOCUXSMER-DEOSSOPVSA-N 446.676 6.169 30 10 IKEE C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2267583506 SPHZBTDNIFFTQB-IBGZPJMESA-N 447.409 5.451 30 10 IKEE C=CCCC1([C@H](NC)c2ccc(Br)c(F)c2F)CN(C(=O)OC(C)(C)C)C1 2281033361 SVQGEUMMGQZHEW-QGZVFWFLSA-N 445.348 5.191 30 10 IKEE CN[C@@H](C#Cc1cccc(Br)c1)c1cccc(F)c1NC(=O)OC(C)(C)C 2296266261 GDBAJOBQCCUVBP-SFHVURJKSA-N 433.321 5.247 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)[C@](C)(NC(=O)OC(C)(C)C)C(C)(C)C 2296278368 CSCZJKXVXCKDIV-GCJKJVERSA-N 437.422 5.108 30 10 IKEE Cc1cccc(N=C2SC(=C3Sc4ccccc4N3C)C(=O)N2c2ccccc2)c1 2297550114 WLNIKOMTEDTWHC-UHFFFAOYSA-N 429.570 6.174 30 10 IKEE C=CCN1C(=O)C(=Cc2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)SC1=S 2297624967 QDQJGPMGBNWOST-UHFFFAOYSA-N 446.937 5.214 30 10 IKEE Cc1ccc2nc(-c3ccc(N=CC(Br)=Cc4ccccc4)cc3)sc2c1 2313511408 OUXKJATXHJXASF-UHFFFAOYSA-N 433.374 7.410 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(Br)cc2)c1)c1ccc(Cl)cc1 2314429314 DFUFFNZXTPBDEX-UHFFFAOYSA-N 441.708 6.218 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCC(=O)c3ccc(Cl)cc3)ccc2C1=O 2314438430 SDIDRTPLDDILHR-UHFFFAOYSA-N 434.875 5.617 30 10 IKEE Cc1ccc(Sc2cc(I)ccc2Br)c(C#N)c1 2316381716 GZDXQWJYSULTNR-UHFFFAOYSA-N 430.108 5.385 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCc4c(Cl)cccc4Cl)cc(C)c3C2=O)cc1 2321779776 JRXKFCCPYKNDLW-UHFFFAOYSA-N 439.338 7.059 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc(OCc3ccc(C(=O)OC)cc3)c2C)C1=O 2321856642 XYGMAOGEXRXKLZ-UHFFFAOYSA-N 444.483 5.376 30 10 IKEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1ccc2ccccc2c1)NCc1ccco1 2322327772 BOZDNPGEHGEHTR-UHFFFAOYSA-N 445.902 5.678 30 10 IKEE COc1cccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3ccc(F)cc3)C4)C2=O)c1 2322348112 DNIQPTCPTMMHTK-UHFFFAOYSA-N 431.463 5.111 30 10 IKEE CCc1ccc([C@H](C)N2COc3c(cc4c(c3C)OC(=Cc3sccc3C)C4=O)C2)cc1 2322456900 MKMLQUXBJRWZSI-SFHVURJKSA-N 445.584 6.457 30 10 IKEE CCCCCCCCCOc1ccc(C=NNc2ccc(C)c(C)c2)cc1Br 2322922292 AHFQBZLQGYSVHT-UHFFFAOYSA-N 445.445 7.641 30 10 IKEE O=C(COc1cccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)c1)NC1CCCCC1 2323044201 LPOXUHPIGOEMST-UHFFFAOYSA-N 439.555 6.077 30 10 IKEE CCCOc1c(OC)ccc(C=CC(=O)c2ccc(OC)c(C)c2C)c1Br 2323247664 YUZATNODUPXCEL-UHFFFAOYSA-N 433.342 5.768 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(OC(=O)c4cccc([N+](=O)[O-])c4)c3C)C2=O)cc1 2323310216 CRFHLMLCVHWHFA-UHFFFAOYSA-N 445.427 5.137 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OCC(=O)Nc3ccccc3F)c2)cc1C 2323323671 RNJNIGAVQBBMCZ-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE Cc1c(OC(=O)CCc2ccccc2)ccc2c1OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2323721389 PHGDOHPPFQGKKC-UHFFFAOYSA-N 429.428 5.058 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2OCC)C3=O)cc1 2323790597 VBMYZDZOIDYMNF-UHFFFAOYSA-N 430.456 5.319 30 10 IKEE CCOc1cc(C=NNc2nc(-c3ccccc3)cs2)cc(Cl)c1OCC(C)C 2323865494 IZNGPYPNASCVDB-UHFFFAOYSA-N 429.973 6.343 30 10 IKEE CC1(C)C[C@H]2C[C@@](C)(CN2Cc2c(O)ccc3c2OC(=Cc2ccccc2Cl)C3=O)C1 2324097369 JOEGPZXHRDGSNW-MRDQGFSESA-N 437.967 6.062 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(C(C)(C)C)cc3)n2)cc1OC 2324366100 MFGPXZSJPBNXMH-HXUWFJFHSA-N 446.572 6.014 30 10 IKEE Cc1ccccc1OCCCCOc1cc(C)c2c(c1)OC(=Cc1ccccc1F)C2=O 2324598798 FNFLSOISNJNSGG-UHFFFAOYSA-N 432.491 6.297 30 10 IKEE Cc1cc(OCCC(=O)OCCC(C)C)cc2c1C(=O)C(=Cc1cccc(Cl)c1)O2 2325103775 JKCFQSRUUJLYJW-UHFFFAOYSA-N 428.912 5.623 30 10 IKEE Cc1cc(OCc2c(Cl)ccc(Cl)c2Cl)cc2c1C(=O)C(=Cc1ccco1)O2 2325169598 CLAXVWWLGKZNQE-UHFFFAOYSA-N 435.690 6.743 30 10 IKEE Cc1cc(OCc2cccc3ccccc23)cc2c1C(=O)C(=Cc1ccc(C(C)C)cc1)O2 2325279389 JYRRYSCBQMKYMR-UHFFFAOYSA-N 434.535 7.467 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccccc1[N+](=O)[O-] 2325564675 WOPNAVFQAHRPOE-UHFFFAOYSA-N 431.521 5.467 30 10 IKEE O=C(Oc1cccc(C=CC(=O)c2ccccc2Cl)c1)c1ccc(-n2cccc2)cc1 2325717837 WJXDAHACXYCJSH-UHFFFAOYSA-N 427.887 6.246 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc2c1C(=O)C(=Cc1ccco1)O2 2325733691 HMAVDTMNFLKZEE-UHFFFAOYSA-N 444.270 5.529 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC 2325737589 ZTOMNAUBOFKUCG-UHFFFAOYSA-N 446.499 5.283 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OC(=O)C12CC3CC(CC(C3)C1)C2 2325760013 ZXELZEAHKAXYBD-UHFFFAOYSA-N 444.571 6.330 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1sccc1C 2325910136 HOEXJXFBWRAKJD-UHFFFAOYSA-N 441.409 5.918 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1cccc(Cl)c1 2326018009 BOVBFQJOBZBWRI-UHFFFAOYSA-N 447.391 5.757 30 10 IKEE CCCSc1nnc(COc2ccccc2OCC)n1N=Cc1ccc(C(C)C)cc1 2326848625 ZEJQOEXPHSRVRT-UHFFFAOYSA-N 438.597 5.764 30 10 IKEE CSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccc(C(F)(F)F)cc1 2327231206 WCGQHVVBIRZDSD-UHFFFAOYSA-N 434.487 5.405 30 10 IKEE CSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc(Cl)cc1Cl 2328003452 DJQOQYWRZIIBOJ-UHFFFAOYSA-N 425.772 5.628 30 10 IKEE COc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2sccc2C)cc1 2329280903 IKTJHXPQPHUHMJ-UHFFFAOYSA-N 448.617 5.464 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2F)n1N=Cc1ccccn1 2329487222 BIBZMXHIFKEORK-UHFFFAOYSA-N 431.540 5.080 30 10 IKEE COc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccc(C)cc2)cc1 2330221998 TWBVFQRXDTUWSN-UHFFFAOYSA-N 434.609 5.892 30 10 IKEE C=C(C)CSc1nnc(CC2CCCCC2)n1N=Cc1cccc(OC)c1OCCC 2330269913 WBFJCTACUHKDTO-UHFFFAOYSA-N 442.629 5.749 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl 2330627049 BOWJRENWPBDLTC-UHFFFAOYSA-N 435.863 5.683 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OC(=O)CC1CCCCC1 2330670932 CDYAYYUZHAJQCA-UHFFFAOYSA-N 442.555 7.010 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)[C@H](C)c1ccccc1 2330705290 UOVUAVLPQRSIOL-HXUWFJFHSA-N 440.539 6.179 30 10 IKEE CCCCCOc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCCC)cc1OCC 2330860368 YDSQGXSRVVNTGB-UHFFFAOYSA-N 446.661 6.219 30 10 IKEE FC(F)(F)c1ccc(C=Nn2c(SCc3ccccc3)nnc2[C@H]2CCCO2)cc1 2330952904 JBHBVDFFNCCYEY-GOSISDBHSA-N 432.471 5.323 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)c2ccccc2)c(Br)c1 2331065707 RMWVDNSHXHEZFN-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE Clc1ccc(CSc2nnc(C3CCCC3)n2N=Cc2cccc3ccccc23)cc1 2331087202 CUXSIEOWXKNEHP-UHFFFAOYSA-N 447.007 6.917 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2ccc(C=CC(=O)c3cccc(Cl)c3)cc2)c1 2331116374 UMCJADAOJDXCBZ-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OC(=O)CC1CCCCC1 2331130104 SNMBAXZIUYXVNI-UHFFFAOYSA-N 426.940 6.511 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1[N+](=O)[O-] 2331339948 KNOMRVQIBAUWCC-UHFFFAOYSA-N 435.407 5.166 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1Cl 2331416014 HEPXXUXORKYVIG-UHFFFAOYSA-N 432.947 7.061 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1sccc1C 2331430331 FINQKBXLOLSQAU-UHFFFAOYSA-N 434.557 6.478 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCO4)cc2)cc1 2331432788 ZZFDNMKTXKNZIH-UHFFFAOYSA-N 444.483 5.384 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OC(=O)c1ccc(F)c(F)c1 2331485645 ONCQKEMYDVRCEQ-UHFFFAOYSA-N 444.433 6.242 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)c1cc(C)cc(C)c1 2331519727 QCNWYLHSMYXXNL-UHFFFAOYSA-N 434.463 5.575 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(F)c3)cc2)cc1OC 2331555043 MJCQKPNSWBJIAI-UHFFFAOYSA-N 438.426 5.026 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3c(F)cccc3Cl)cc2)c(C)c1C 2331612377 OAZUWWATWYZHPH-UHFFFAOYSA-N 438.882 6.220 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3F)c([N+](=O)[O-])c2)cc1C 2331706678 KAEGJNHGPPYKDF-UHFFFAOYSA-N 433.435 5.395 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)c1ccccc1 2331801012 GYTQLLFLUYZGRM-UHFFFAOYSA-N 442.555 6.807 30 10 IKEE CCCC(=O)Oc1ccc(C=CC(=O)c2cc(C)c(OC)cc2C)cc1Br 2331846031 DZQWPKQNWIMRGC-UHFFFAOYSA-N 431.326 5.676 30 10 IKEE CC[C@@H](N[C@@H]1CCCN(Cc2ccccc2)CC1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363836686 PYBMFGALQNPZPE-CLJLJLNGSA-N 448.460 5.081 30 10 IKEE COc1ccc(/C=C2\C[C@H](C(C)(C)C)Cc3c2nc2ccccc2c3C(=O)OCC#N)cc1 12563610 NJORMWDVDORMNK-ZAQQZEBGSA-N 440.543 6.073 30 10 IKEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(OC)ccc3ccccc13)N2 14544226 XRCGKSRTXIDTJE-UZINWLIJSA-N 446.572 5.139 30 10 IKEE COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@@H]3c2ccco2)cc1OC 19633729 OQKPJURGWLAHOG-PUAOIOHZSA-N 441.487 5.062 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(F)c2)cc1 21223466 IGIGRYNYGSGSMR-NGOKVRLYSA-N 442.534 6.594 30 10 IKEE Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC(C)C)cc2)C3)cc1 21224585 OGVBNLVPHJLMPJ-MNNSJKJDSA-N 438.571 6.762 30 10 IKEE CC(C)Oc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(O)c2)cc1 21249279 UFMKBAKFKLXUTR-NGOKVRLYSA-N 440.543 6.159 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2F)cc1 21250763 DXJMKBDEXHCRJT-XRHLQHRESA-N 428.507 6.204 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccnc2)cc1 21253471 GGFNFFGMQTXBQC-NFQMXDRXSA-N 425.532 5.850 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 27533013 LHWJUNDHHZXMFR-XMMPIXPASA-N 445.563 5.031 30 10 IKEE CCCn1cc(CN/C(=N/C(=O)c2cccc(C)c2)Nc2ccc(Cl)cc2C)c(C)n1 32973119 CTXKQRIZYKGSAQ-UHFFFAOYSA-N 437.975 5.270 30 10 IKEE C=C(C)C(=O)NCCCc1nc2ccccc2n1CCCOc1cccc2ccccc12 40210189 MVEPZZQCYLVATF-UHFFFAOYSA-N 427.548 5.284 30 10 IKEE CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccccc1Br 44858692 FCODYTLSZVNGEA-UHFFFAOYSA-N 429.354 5.849 30 10 IKEE COc1ccccc1/C=N\N=C1\S/C(=C\C=C\c2ccccc2)C(=O)N1Cc1ccco1 47138458 PCVGKOUSEUWJMM-SEUILTDDSA-N 443.528 5.351 30 10 IKEE CCn1c2ccccc2c2nnc(N/N=C/c3ccc(OCc4ccc(C)cc4)cc3)nc21 64981503 QFYKEXDAGNITOX-JVWAILMASA-N 436.519 5.333 30 10 IKEE CCCCN(C)C[C@H](O)Cn1cc(/C=C\C(=O)c2ccc(OCC)cc2)c2ccccc21 96498704 CIDKBTYELUXBPC-NPSSKHJUSA-N 434.580 5.029 30 10 IKEE CCc1nc2ccc(Br)cn2c1C(=O)Nc1scc(C(C)(C)C)c1C#N 96521552 QMEPMYTXWIILKF-UHFFFAOYSA-N 431.359 5.142 30 10 IKEE COc1cc(Br)c(OCCCCCCCCCS)cc1Br 97799849 APBLGRBVZNROIV-UHFFFAOYSA-N 440.241 6.260 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c(Cl)cccc1Cl)N2 100371057 XTSJLIXIXIFJGB-OSWQYVSFSA-N 430.419 8.169 30 10 IKEE CCCCCCCCN/C=C1\C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 102642287 SXWWQCAJLZCQPW-ZZEZOPTASA-N 432.593 5.881 30 10 IKEE CCn1cc(/C=C2\Oc3c(ccc(OC(=O)/C=C\c4ccccc4)c3C)C2=O)c2ccccc21 102738268 DQNPXMGSPSHECL-NRPCBOSOSA-N 449.506 6.205 30 10 IKEE CCCCCCCCOc1ccc([C@H]2SCC(=O)N2c2ccc(C)c(Cl)c2)cc1 102739128 GVESSIJGULWZFX-XMMPIXPASA-N 432.029 7.166 30 10 IKEE COc1ccc2c(c1)c(/C=C1\Oc3cc(OC(=O)c4cccs4)ccc3C1=O)cn2C 103024463 HNTITLSLSRARKI-FBHDLOMBSA-N 431.469 5.084 30 10 IKEE CCCN1C(=S)N[C@@H](c2ccc(Oc3ccc(C(C)(C)C)cc3)cc2)C(C(C)=O)=C1C 169930253 KOTRHJOBOJNENW-DEOSSOPVSA-N 436.621 6.281 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccc(C)c(C)c2)c1 169932590 ZDZBWPYCSYTBCH-RUZDIDTESA-N 441.527 5.712 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccc(O)cc2)cc1 169959170 KPEKAKXIQURBEC-DEOSSOPVSA-N 438.483 5.219 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2cccs2)c1 169984317 CGEXJWQFSMJQSU-FQEVSTJZSA-N 439.920 5.501 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1cccs1)c1ccc2ccccc2c1 169985514 YNLPUZQEMWEGCB-QFIPXVFZSA-N 445.927 6.338 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(C)c2)cc1 170028356 XIXCBTCEBHUAOH-QHCPKHFHSA-N 431.463 5.316 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2C2CCCCC2)cc1 170031658 GDLJDCDDZZTUKZ-XMMPIXPASA-N 433.548 5.613 30 10 IKEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(CC)cc3)[C@@H]2c2ccccc2)cc1 170055533 MTWTXYQZNPZSOY-VWLOTQADSA-N 441.527 5.426 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 170056757 MVIMVCWTQJJKFF-LJQANCHMSA-N 427.884 5.319 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccc(C(C)C)cc2)cc1 170067390 GZQRCXRDBHYGDD-RUZDIDTESA-N 440.543 5.546 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2Cc2cccs2)c1 170138954 WWKPDJGZKRMOBG-JOCHJYFZSA-N 428.513 5.316 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccs1 170160009 GEEORCGSVHBIKS-LJQANCHMSA-N 425.893 5.193 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccn1 170174859 IIZIUAIJLDQLSR-XMMPIXPASA-N 436.467 5.026 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(O)c(Cl)c1 170219692 QVGIJEDTMKLDCM-QFIPXVFZSA-N 435.907 5.577 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccccc2)cc1C 170228226 MLXWAESTTPFYEF-VWLOTQADSA-N 441.527 5.793 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@H]1c1ccc(C(C)C)cc1 170245406 AJNDMXNCVQRPCR-OAQYLSRUSA-N 427.928 5.460 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1F)c1cccc2ccccc12 170250534 GRSSIFYPGUIZCO-HSZRJFAPSA-N 427.431 5.350 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2c2ccccc2)cc1 170265371 HVEMFJZTCVUIHS-VWLOTQADSA-N 441.527 5.819 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(CC)cc2)cc1C 170268706 CNSCMANWAUVIAE-VWLOTQADSA-N 447.575 5.867 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(OCC(C)C)cc2)=C(O)C(=O)N1c1ccccc1 170272180 TUDKZJYODXMXAY-VWLOTQADSA-N 441.527 5.813 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccccc1C 170273772 ZADVVWBEWQUIPT-RDPSFJRHSA-N 447.575 5.358 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccccc1C 170275275 DDSYXLPJNYMJEE-QFIPXVFZSA-N 439.939 5.568 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(C)o1 170302983 PLOWXEMODILKCZ-FQEVSTJZSA-N 437.879 5.341 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C(C)C)cc2)cc1O 170408680 NJQPZSFCZAJTRP-XMMPIXPASA-N 443.499 5.307 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(C(C)(C)C)cc1 170467033 GVQPCKZZVCGSCB-HSZRJFAPSA-N 445.515 5.364 30 10 IKEE CCC(C)(C)C1C/C(=C\c2ccc(OC)c(O)c2)C(=O)/C(=C/c2ccc(OC)c(O)c2)C1 207532019 HFKOCTMPNGULNM-AYKLPDECSA-N 436.548 5.997 30 10 IKEE CCc1ccc(N=C2S/C(=C/c3ccc(OCc4cccc(C)c4)cc3)C(=O)N2C)cc1 252590152 APVAUAKEHDSZPH-UYJNXHFOSA-N 442.584 6.370 30 10 IKEE CCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(c2ccccc2)C1=O 252618609 LIPNXQLBCIZNOH-JOCHJYFZSA-N 445.544 5.250 30 10 IKEE CN(C)c1ccc(C=Nc2ccccc2Nc2cc(-c3ccccc3)nn2CCC#N)cc1 254738635 HQWQYSUFOSSGLE-UHFFFAOYSA-N 434.547 6.024 30 10 IKEE N#C[C@H](CNc1cc(Br)ccc1I)C1CCCCC1 397326740 IQVFYVZQGNUMEH-GFCCVEGCSA-N 433.131 5.186 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccccn2)cc1Cl 526489713 BQPFDENAZIKDPT-QFIPXVFZSA-N 431.879 5.063 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccc(OCC)c2)c1 526517561 UQXYJZFUNXEBFL-RUZDIDTESA-N 440.499 5.413 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccc(OCC)c2)cc1 526604729 WPZWIZOBHLMQLX-RUZDIDTESA-N 440.499 5.413 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(F)cc2)cc1 526604971 RNLBGMMMIUOHAS-XMMPIXPASA-N 428.463 5.543 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccc(Cl)c2)c1 526605644 DGKABAQNZZHEAJ-QHCPKHFHSA-N 430.891 5.668 30 10 IKEE CCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1cc(Cl)c(OC)c(Cl)c1 526803995 AGPPNSAFPAUAGL-KSEXSDGBSA-N 435.380 5.639 30 10 IKEE CCCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1/N=C\c1ccc(Cl)cc1 526828109 XLMKREATJWVHHJ-OYKKKHCWSA-N 442.972 5.235 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)Nc3ccc(F)cc3)C2)c1 585881878 ZSEYZFNYFFMZJC-JOCHJYFZSA-N 438.547 5.090 30 10 IKEE COc1cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)ccc1O 698483034 SQKQKFAWZJUQCH-INIZCTEOSA-N 433.302 5.170 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@H](C#N)c1cc(Cl)ccc1Br 698831808 OJGCQESUVCRMBN-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE CSc1cccc(NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)c1C#N 705852962 MVLOYYOMPOHMAK-UHFFFAOYSA-N 429.589 5.163 30 10 IKEE COc1ccc(C=Nc2nc(-c3ccc(C)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)c(O)c1 1084291206 QTJLNZVLQUEMBG-UHFFFAOYSA-N 445.500 6.159 30 10 IKEE COc1cccc(C=Nc2ccc3nc(SCC(=O)Nc4ccccc4)sc3c2)c1O 1084421121 CQQDBPIYRJZZIY-UHFFFAOYSA-N 449.557 5.492 30 10 IKEE CC1(C)[C@H]2CC[C@]1(C)C(=NOC(=O)[C@@]13CC[C@@](C)(c4nc5ccccc5nc41)C3(C)C)C2 1772721818 FOKRCBHPMBLICJ-OSHNXFFYSA-N 431.580 5.704 30 10 IKEE O=C1/C(=C\c2ccc(Br)cc2)SC(=Nc2cccnc2)N1C1CCCCC1 1772730433 CGSICEASRCZEJH-YCWTWADVSA-N 442.382 5.781 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(O)c(O)c2)SC1=Nc1nc(-c2ccccc2)cs1 1772737106 LXXBPNLEGDKFSP-VLTWACRQSA-N 435.530 5.011 30 10 IKEE CC(=O)[C@@H](C=NOCc1c(Cl)cccc1Cl)C(=O)Nc1ccc(Cl)cc1Cl 1848352938 NPIVENQXQWFUMU-GFCCVEGCSA-N 448.133 5.647 30 10 IKEE CCCCCCCCCOc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 1860144694 RGFJEJCJRKIMOC-UHFFFAOYSA-N 438.395 7.140 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@H](C)Sc2nc(O)c(C#N)c(-c3cccc(Cl)c3)n2)c1 1860463679 NGHSUPUZLXJMBT-AWEZNQCLSA-N 438.940 5.110 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](C)NC(=O)C(C)(C)Oc1ccc(Cl)cc1 1861458724 LKOKCRPBYPFRLL-SFHVURJKSA-N 425.013 5.259 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(F)cc1F 1862381016 PRXJLABCDKEGFO-MGNBDDOMSA-N 440.273 5.648 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(CC)cc2)cc1 1862390842 NGOBHNQGJNIRKL-RUZDIDTESA-N 448.607 5.122 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc2cc[nH]c2c1 1862407206 JDSXLXXXDPGZSX-DEOSSOPVSA-N 446.547 5.644 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(F)cc1 1862502308 WMFMAOIAYTYYLC-JOCHJYFZSA-N 443.490 5.058 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2[C@H](C)CC)ccc1O 1862550337 GFPKOWIWEJKXGS-VOIUYBSRSA-N 449.547 5.047 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCCCCO)c1 1862613528 JZZAVYAXSMXBQG-HSZRJFAPSA-N 435.564 5.033 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 1862615058 HLWKSEQZHSSTTP-XMMPIXPASA-N 443.543 5.918 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2Cc2ccccc2)c1 1862649387 XAPAHMYTUXTNBC-SANMLTNESA-N 433.507 5.927 30 10 IKEE O=C(C1=C(O)C(=O)N(C23CC4CC(CC(C4)C2)C3)[C@@H]1c1cccc(O)c1)c1ccc(F)cc1 1862672993 AFISHJNPBWRXEP-PHDLEGTPSA-N 447.506 5.078 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862688639 XTBNQTBAJBIFEP-IQGLISFBSA-N 441.527 5.597 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1F)c1ccc2ccccc2c1 1862715803 RVUKUNFQYQVMGC-VWLOTQADSA-N 437.470 5.757 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(C(F)(F)F)cc1 1862716485 HKBRQNDWHFTWEP-HXUWFJFHSA-N 425.406 5.457 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc2ccccc12 1862718578 ACNCBSHGOKCPKA-HHHXNRCGSA-N 449.550 6.617 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1 1862727652 JQGXIEHDQSWHKS-HSZRJFAPSA-N 440.455 5.003 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2[N+](=O)[O-])C(=O)N(CCC(C)C)C1=O 1863601787 OSFQBAWXSSRLOR-UHFFFAOYSA-N 443.588 5.451 30 10 IKEE Cc1ccc([C@H](CC(=O)N[C@H](C(=O)Nc2ccccc2C#N)c2ccccc2)C(C)C)cc1 1866742540 DQFPTPQWQTUFQL-SQHAQQRYSA-N 439.559 5.493 30 10 IKEE C=CCn1cc(OCc2c(F)cccc2Cl)c(=O)cc1CSCc1ccccc1 1870174955 UTCKNIUKNVNPAH-UHFFFAOYSA-N 429.944 5.839 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2Cl)c(=O)cc1CSCCO 1870230739 NIOWMWDINNZVFZ-UHFFFAOYSA-N 438.033 5.667 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2)c(CSCc2ccccc2)cc1=O 1870251585 LVBWHSILHUNEHQ-UHFFFAOYSA-N 435.633 6.679 30 10 IKEE C=CCn1cc(OCc2cc(Cl)cc3c2OCOC3)c(=O)cc1CSC(C)(C)C 1870311916 UXCAQODKCXPSHG-UHFFFAOYSA-N 435.973 5.165 30 10 IKEE C=CCOc1cn(CCc2ccc(C)cc2)c(CNc2ccc(CC)c([N+](=O)[O-])c2)cc1=O 1870809864 ZKBHMUQTWKDGJA-UHFFFAOYSA-N 447.535 5.047 30 10 IKEE C=CCOc1cn(Cc2ccccc2)c(CNc2ccc(OCCCCCC)cc2)cc1=O 1870810762 QHHTXYFJSXQOOF-UHFFFAOYSA-N 446.591 6.033 30 10 IKEE CCCCCCCOc1cn(Cc2ccncc2)c(CNc2ccc(C)cc2C)cc1=O 1870835722 GCROPCOIVPJOOG-UHFFFAOYSA-N 433.596 5.870 30 10 IKEE C=CCn1cc(OCc2ccccc2)c(=O)cc1CNc1ccc(OC(F)(F)F)cc1 1870894515 FQDHJWJRPAKPNX-UHFFFAOYSA-N 430.426 5.124 30 10 IKEE CCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CNc1ccc(C)c(F)c1 1871059216 YXDNRIWSHOBZOJ-UHFFFAOYSA-N 428.592 6.613 30 10 IKEE N#Cc1ccc(COc2cn(Cc3ccccc3)c(CNc3cccc(F)c3)cc2=O)cc1 1871251901 BOCUNRVXOVWWSL-UHFFFAOYSA-N 439.490 5.098 30 10 IKEE CCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CNc1ccc(N(C)C)cc1 1871257528 GXYWVKCGXPVOPF-UHFFFAOYSA-N 441.660 6.312 30 10 IKEE Cc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(CCCCc3ccccc3)C4)C2=O)o1 1871360145 QSPBDVOXOULGQI-IWIPYMOSSA-N 429.516 5.687 30 10 IKEE CCCCN(CCCC)Cc1c(O)cc(C)c2c1O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 1871393288 ATGJXVUDMSZZAI-JCMHNJIXSA-N 438.524 5.627 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2)cc2c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O2 1871407708 YSNRRHDDDHFMEM-QETRNLNESA-N 441.527 6.141 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)c(C)c1 1871410604 FSSWVABVGJQRGF-ZKDCOOFMSA-N 431.463 5.465 30 10 IKEE COC(=O)c1ccc(COc2ccc3c(c2C)O/C(=C\c2c(F)cccc2Cl)C3=O)o1 1871438863 VTVSVCJTVVUOTM-JMIUGGIZSA-N 442.826 5.362 30 10 IKEE CC(C)=C1Oc2cc(OCC(=O)Nc3ccc(Oc4ccccc4)cc3)cc(C)c2C1=O 1871459039 MDRXALSFOVIADZ-UHFFFAOYSA-N 429.472 5.674 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1cc(C)ccc1C 1871890690 OKKXHUNGIWQJFP-HSZRJFAPSA-N 442.625 5.294 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1cccs1 1872014564 DYJIUGRJTKWDIP-FQEVSTJZSA-N 448.654 5.420 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 1872412342 JQEPRQUJQOITPU-NRFANRHFSA-N 434.989 5.023 30 10 IKEE Cc1cc(-c2csc([C@H](C#N)C(=O)C(c3ccccc3)c3ccccc3)n2)ccc1F 1872771918 FVRXLMHLSUYDFR-OAQYLSRUSA-N 426.516 6.266 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)CCCOc2ccccc2)n1 1872777111 GVXCLHINNCJUFN-NRFANRHFSA-N 448.588 6.152 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@H](C#N)C(=O)c3ccc(-c4ccccc4)cc3)n2)c1C 1872778270 HONNMFRYDOWHSE-XMMPIXPASA-N 436.580 7.201 30 10 IKEE CCOc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2c(C)c(C)cc(C)c2C)cs1 1872778302 IOONXPSOHXMGRJ-LJQANCHMSA-N 434.561 5.698 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@@H](C#N)C(=O)c2cccc3ccccc23)n1 1872786806 STDTXWIRGUCGPN-IBGZPJMESA-N 432.932 6.424 30 10 IKEE COc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)c(OC)c1 1872787611 NNEFKVIKSAPFBD-JCOOBLOPSA-N 448.544 5.342 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-n4cccc4)cc3)n2)c2ccccc12 1872788747 PKNKURWCQCDNTC-QHCPKHFHSA-N 449.535 6.253 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@H]2CCCC[C@H]2C)=C(c2ccc(F)cc2)C1=O 1873137279 COMYSSROGDGWOG-OFNKIYASSA-N 442.619 6.215 30 10 IKEE N#Cc1cccc(NC(=O)[C@H]2c3ccccc3C(=O)N(Cc3ccccc3)C23CCCCC3)c1 1873866434 HJKORBIICDLMLC-AREMUKBSSA-N 449.554 5.639 30 10 IKEE CCCSc1nnc(COc2ccc(OCC)cc2)n1/N=C/c1ccc(Cl)cc1 1874236699 VUTXRZLUWRGWKJ-OEAKJJBVSA-N 430.961 5.294 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3F)n2/N=C/c2ccccn2)cc1C 1874329725 BMXDHNVSYYDGHH-LQKURTRISA-N 445.567 5.389 30 10 IKEE COc1ccccc1/C=N/n1c(Cc2ccccc2)nnc1SCCc1ccccc1 1874417095 XTCHGFZHHMALAB-LGUFXXKBSA-N 428.561 5.095 30 10 IKEE FC(F)(F)c1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccccn1 1874462314 RPMJEAMWYDVFGN-LIMNOBDPSA-N 432.258 5.173 30 10 IKEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3cc(C)ccc3C)nnc2-c2ccco2)c1 1874464248 ZKAFWLGNTNPPIX-AFUMVMLFSA-N 445.548 5.076 30 10 IKEE COc1cc(/C=N/n2c(SCc3ccc(C)cc3)nnc2C(C)(C)C)cc(Cl)c1O 1874481099 MIENTHXNVSJKIW-WYMPLXKRSA-N 444.988 5.426 30 10 IKEE CCCSc1nnc(C(C)(C)C)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874484760 MDGPZCAHKZTBBK-MFKUBSTISA-N 443.016 6.192 30 10 IKEE CC(C)Cc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccccc1OC(C)C 1874489862 OQNBRLHWZJKZOB-AFUMVMLFSA-N 443.016 6.092 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccc(OCC)cc1 1874508814 WXVNFMQCPAMZSJ-ZMOGYAJESA-N 449.407 6.111 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/n2c(S)nnc2C(C)(C)C)cc1OC 1874559518 WQCGQDAGMUHGIW-JJIBRWJFSA-N 432.634 5.885 30 10 IKEE Sc1nnc(CC2CCCCC2)n1/N=C/c1cccc(OCc2cccc(Cl)c2)c1 1874560980 YUMKNGRVLYVOCR-MFKUBSTISA-N 441.000 5.804 30 10 IKEE Cc1ccc(OCc2nnc(S)n2/N=C/c2ccc(OC(C)C)cc2)c(C(C)(C)C)c1 1874569343 SERSKKAQGKTUDG-AFUMVMLFSA-N 438.597 5.421 30 10 IKEE O=C(/C=C/c1cc(Br)ccc1OCCCO)c1ccc(Cl)cc1Cl 1874573308 GZJOXAMCEWFMQJ-QHHAFSJGSA-N 430.125 5.413 30 10 IKEE CCCOC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(OCCC)cc1 1874580112 YFNJAJVKIQKUTQ-CCEZHUSRSA-N 432.516 5.857 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)c1OCCCO 1874590282 CGZHETNRMMLNHU-SNAWJCMRSA-N 445.726 5.321 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc1OCc1cccc(F)c1 1874600724 ZSXJOBHONHKGJC-VQHVLOKHSA-N 440.898 6.280 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCc3cccc(Cl)c3)c2)c2ccccc12 1874600931 KBLLUBKIPTVDNN-WYMLVPIESA-N 428.915 6.977 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Cl)c1OCc1ccccc1Cl 1874611153 CZIRSPYMEXWGCI-RMKNXTFCSA-N 449.280 6.755 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OCC(=O)N[C@H](C)c1ccccc1 1874614582 SXGFTJVBLOXRSG-KAUXGEHWSA-N 449.934 5.501 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OC)c(OCC)c2)cc1 1874624496 GSAGIZUCWUUYFI-XNTDXEJSSA-N 430.972 6.993 30 10 IKEE Cc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(-c4ccccc4)cc3)c2)cc1C 1874693214 SZQVOZVEAGUURJ-LDADJPATSA-N 432.519 7.086 30 10 IKEE COc1ccccc1CCC(=O)Oc1cccc(/C=C/C(=O)c2ccc3ccccc3c2)c1 1874693454 GNXVLZPLWGRWIU-GHRIWEEISA-N 436.507 6.283 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(Cl)cc3Cl)c2)cc1 1874695285 SSDMUETXFPWBPI-KPKJPENVSA-N 441.310 6.046 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2cccc3ccccc23)c1)c1cccc2ccccc12 1874708008 IEXAWEIRSPOUEJ-VHEBQXMUSA-N 428.487 7.108 30 10 IKEE CCc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3cc(Cl)ccc3Cl)c2)cc1 1874719024 WXDXUGDGQPWNQJ-MDWZMJQESA-N 425.311 6.671 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)[C@@H]1CCCO1 1875105292 MUYNVQBRBDMZAC-MRSBXDGLSA-N 435.303 5.373 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(CCCC)cc2)cc1[N+](=O)[O-] 1875106074 AKCKRZPGIVPXFI-GHRIWEEISA-N 437.536 6.709 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccc(OC)cc3)cc2)cc1 1875106998 UZQNSMMCEWKXMI-UDWIEESQSA-N 442.555 6.472 30 10 IKEE CCCCCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2ccccc2Cl)cc1OC 1875111826 QBNGTQKVLUKPEN-BUHFOSPRSA-N 430.928 6.129 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3Cl)cc2Cl)cc1 1875113490 JUDSKIBZIXTXMP-NTUHNPAUSA-N 441.310 6.507 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H](Cc3ccccc3)c3ccccc3)cc2)cc1 1875132127 HAWKYMYLZHSYIV-HKJAUOMESA-N 446.546 6.823 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3sccc3C)c(OC)c2)cc1 1875138588 AQIKHFSKXNQHQO-VZUCSPMQSA-N 436.529 5.969 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3F)c([N+](=O)[O-])c2)c1 1875139658 UFYOEPUBLABCFK-PKNBQFBNSA-N 433.435 5.395 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OC(=O)COc2ccccc2)cc1 1875180754 WXUXYJKOZHGOFQ-JLHYYAGUSA-N 436.891 5.538 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccs3)c(Cl)c2)cc1Cl 1875188908 OVSGLUIFAFCOEF-QPJJXVBHSA-N 433.312 6.179 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cncc(C)c3)c(Cl)c2)cc1Cl 1875189003 SXOITFQBMMAZAB-ZZXKWVIFSA-N 442.298 5.821 30 10 IKEE C=C1C[C@@H]1C[C@H](NCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875650358 GYNQNWONMXULSM-ALTZYDRJSA-N 443.587 5.822 30 10 IKEE Ic1ccccc1C=NN(Cc1ccccc1)Cc1ccccc1 1923413203 FAUHPPJLJJFLQY-UHFFFAOYSA-N 426.301 5.328 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C12CC2 1925706875 GYGAZIPQQINCJK-HSZRJFAPSA-N 447.963 5.517 30 10 IKEE CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCCC(C)(C)[C@@H]1CC3=O 1933274355 VUKBCMNTVRXUOB-ZLIRAPLISA-N 440.712 7.946 30 10 IKEE CC(C)(C)OC(=O)Nc1ccccc1[C@@H](C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1944207089 GJTKJNSDFMJIBC-LJQANCHMSA-N 443.569 6.097 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CC(F)(F)CCN1C(=O)OC(C)(C)C 1948813941 GSJXECXTRNSXPS-SFTDATJTSA-N 438.559 5.162 30 10 IKEE CC(C)(C)OC(=O)NCC[C@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C1 1949137048 YTGSOOUIILHIQH-HOYKHHGWSA-N 435.609 5.533 30 10 IKEE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCC#N)C(C)C 1985177789 BSZSPJOWPGWRDL-DFBJGRDBSA-N 447.579 5.090 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@]1(C#N)CCCCN(Cc2ccccc2)C1 2003432173 XLZCWTCYDABASK-AREMUKBSSA-N 425.617 5.895 30 10 IKEE C=CCCCCCCCC[C@H](N)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2026314751 VQAMLYPSYLNXNU-ZEQRLZLVSA-N 431.665 5.646 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccc(NC(=O)OC(C)(C)C)cc1 2031668268 YABIMEOTYZUMLJ-NRFANRHFSA-N 437.540 6.348 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@H]1CNC(=O)OC(C)(C)C 2032222163 CHZOQOOELVNHAL-XDHUDOTRSA-N 445.560 5.024 30 10 IKEE CC(C)(C)OC(=O)N(C1CCC1)[C@]1(C#N)CN(Cc2ccccc2)C2(CCCCCC2)C1 2038911276 CZLAKQLRKOBKNY-HHHXNRCGSA-N 437.628 6.037 30 10 IKEE Cc1ccc(C=CC(=O)c2c(C)nc3ccc(Br)cc3c2-c2ccccc2)o1 2053466947 DYNPFCBZGUZQRS-UHFFFAOYSA-N 432.317 6.770 30 10 IKEE CCOC(=O)c1c(C(C)C)nn(Cc2ccc(F)cc2C(F)(F)F)c1C(F)(F)F 2079079838 CWBFIAYXMGGVFR-UHFFFAOYSA-N 426.332 5.408 30 10 IKEE CC(C)(C)[C@@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)(F)F)c(CO)c1Cl 2079857193 YKDFIWRRGXNHPK-CYBMUJFWSA-N 432.767 5.841 30 10 IKEE N#Cc1c(-c2ccccc2)nn(Cc2cccc(Br)c2F)c1Br 2080361115 XWLPCCFYJXXHSM-UHFFFAOYSA-N 435.094 5.134 30 10 IKEE Fc1ccc(C(F)(F)F)c(-c2c(C3CCCC3)nn(C(F)(F)F)c2Br)c1 2080823434 OTZVRIWCTLCLOQ-UHFFFAOYSA-N 445.176 6.604 30 10 IKEE CC(C)c1nn2c(Cl)cc(-c3ccc(C(F)(F)F)cc3Br)nc2c1C#N 2081165288 MVVXOPBBEKJAIV-UHFFFAOYSA-N 443.654 5.826 30 10 IKEE Nc1c2c(nc3c(-c4ccc(F)c(C(F)(F)F)c4)c(C(F)(F)F)nn13)CCCCC2 2081278537 AIONDFXYZMOBCD-UHFFFAOYSA-N 432.343 5.424 30 10 IKEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(Cl)ccc(Br)c1F 2122144256 ZNYJMQNKGMCKOB-WMLDXEAASA-N 447.776 5.199 30 10 IKEE CC(C)(C)OC(=O)NCC[C@H]1CCC[C@@H](Nc2ccc(C#N)c(Br)c2F)C1 2162307874 CYSFBIMRPAOCFU-UKRRQHHQSA-N 440.357 5.345 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H](Nc2cccc(Br)c2C#N)CC12CCCCC2 2162308940 IOJDUAWGHXOUHI-HNNXBMFYSA-N 434.378 5.445 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[C@H]2Nc2ccc(Br)cc2C#N)C1 2233764573 SABXLLDOFLNTGE-LSBZLQRGSA-N 434.378 5.158 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)cc(F)cc1Br 2233944825 IDUZSFCSOGOZOC-FUHWJXTLSA-N 445.348 5.075 30 10 IKEE CCCC#CC[C@H](NCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237408314 DKDNMXDVRORTQK-VQTJNVASSA-N 437.422 5.057 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(CC2CC2)C(=O)OC(C)(C)C)C[C@H]2CCCC[C@@H]21 2246646657 KDJDVJNWRUYCKH-IMWIBFENSA-N 433.593 5.095 30 10 IKEE CC(C)(C)C#CC=CC[C@@H](N)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2256733804 QIDNTBKXJGIGIN-YIXXDRMTSA-N 440.628 5.154 30 10 IKEE C=C(C)CCCC[C@@H](N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2271755765 XZCCINRFUWGYLG-GGXMVOPNSA-N 445.603 6.342 30 10 IKEE O[C@H](C#Cc1ccc(Br)cc1)c1ccc(Br)cc1Br 2278777225 BNLRHFVGAWSEHP-OAHLLOKOSA-N 444.948 5.059 30 10 IKEE CSC1(C#C[C@H](N)c2cc(NC(=O)OC(C)(C)C)ccc2Br)CCC1 2314686561 ASJXLFPRNZZJBI-INIZCTEOSA-N 425.392 5.085 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc4c3CN(CCc3c[nH]c5ccccc35)CO4)C2=O)cc1 2321911394 YYGFKUAJWMPZPP-UHFFFAOYSA-N 436.511 5.487 30 10 IKEE C[C@@H](c1ccccc1)N1COc2ccc3c(c2C1)OC(=Cc1cccc([N+](=O)[O-])c1)C3=O 2322092423 BYJBMKLMBRNGNM-INIZCTEOSA-N 428.444 5.124 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(F)c(C)c2)c1OCC(=O)Nc1ccccc1F 2322638303 LRRHZDKYIBSALT-UHFFFAOYSA-N 437.442 5.195 30 10 IKEE O=C(C=Cc1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)c1ccc(F)c(F)c1 2322781666 ROKABRPFTPVBOI-UHFFFAOYSA-N 445.421 6.501 30 10 IKEE CCCCOc1ccc(C=NNS(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1OCC 2323352389 SUZCXUTUHGDMGJ-UHFFFAOYSA-N 446.613 5.183 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(CC)cc3)cc2OC)o1 2323485291 LXLQBOBLVWISNT-UHFFFAOYSA-N 434.488 5.502 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)c1 2323485717 XWZZBFPGHCDSCU-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE Cc1c(OC(=O)c2ccc(OCC(C)C)cc2)ccc2c1OC(=Cc1cccs1)C2=O 2323635272 CLMZELHXGTXNHE-UHFFFAOYSA-N 434.513 5.927 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OCc1ccc([N+](=O)[O-])cc1 2323739187 QLDUEMSGHNZYKO-UHFFFAOYSA-N 439.414 5.747 30 10 IKEE Cc1cc(O)c(CN2CCc3ccccc3C2)c2c1C(=O)C(=Cc1cccc(Cl)c1)O2 2324115789 FUBHTDQZFUBWNK-UHFFFAOYSA-N 431.919 5.529 30 10 IKEE Cc1cc(OCCOc2ccccc2)cc2c1C(=O)C(=Cc1cn(C)c3ccccc13)O2 2324220423 FNADBLUWPLTHLL-UHFFFAOYSA-N 425.484 5.561 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc(O[C@@H](C)C(=O)Nc3ccc(C)cc3)c2C)C1=O 2324379103 KQIVTQLSTNZJHD-SFHVURJKSA-N 443.499 5.334 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)c(OCC)c1 2324494240 HLIUCRWLKQUAPR-UHFFFAOYSA-N 447.487 5.867 30 10 IKEE COc1ccc(C=C(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)c2ccccc2)cc1OC 2324599006 BIGQDWXDIDAJMF-HXUWFJFHSA-N 432.545 5.701 30 10 IKEE CCc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccc(Cl)cc4)ccc3C2=O)cc1 2324610139 UWCAAMKWPXNLDH-MRXNPFEDSA-N 447.918 5.925 30 10 IKEE CCOc1ccccc1NC(=O)COc1ccc2c(c1)OC(=Cc1cccc(Cl)c1)C2=O 2324895826 DLRPTAIFXLMGSQ-UHFFFAOYSA-N 449.890 5.372 30 10 IKEE CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1C)OC(=Cc1cn(CC)c3ccccc13)C2=O 2325079429 RTMNIAOEVMYDKS-JOCHJYFZSA-N 447.531 5.696 30 10 IKEE CCCCOc1ccc(C=Nn2c(CC)nnc2SCc2cccc(Cl)c2)cc1 2325610185 SLGSAUTVXWNREM-UHFFFAOYSA-N 428.989 5.847 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccccc3Cl)c2)cc1 2325739262 SONAWNUNIVOFEJ-UHFFFAOYSA-N 434.919 6.173 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2cccc3ccccc23)c1)c1ccc2c(c1)OCCO2 2325745517 LBAYZVQDGVHRSL-UHFFFAOYSA-N 436.463 5.726 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cccc(OC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 2325757861 RQSIBMJCBCJWRA-UHFFFAOYSA-N 445.471 5.644 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2ccc(OC)c(OC(=O)CC(C)(C)C)c2)cc1Cl 2325759365 QDQNMYLFZSBAQM-UHFFFAOYSA-N 446.927 5.604 30 10 IKEE CSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1cccc2ccccc12 2325907031 JZZCZCQVXSMJDB-UHFFFAOYSA-N 443.359 5.921 30 10 IKEE CCCSc1nnc(CCCOc2ccc(OC)cc2)n1N=Cc1ccc(CC)cc1 2326272521 KUNDSKLXFUOAET-UHFFFAOYSA-N 438.597 5.245 30 10 IKEE COc1cccc(C=Nn2cnnc2SCc2cccc(C)c2)c1OCc1ccccc1 2326369351 CUYGFMQEOHFNQG-UHFFFAOYSA-N 444.560 5.349 30 10 IKEE Cc1ccc(OCCCc2nnc(SCc3ccccc3)n2N=Cc2ccco2)cc1 2327191096 WNTAKDNRSOOUEL-UHFFFAOYSA-N 432.549 5.366 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc(Cl)cc1 2327956886 RWFLDLCFLCSBQG-UHFFFAOYSA-N 431.392 5.921 30 10 IKEE CCCSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1c(Cl)cccc1Cl 2328568850 LKJVDEYNIUIOJO-UHFFFAOYSA-N 449.407 5.959 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3Cl)n2N=Cc2ccccn2)cc1 2329278458 ZLHITRSXGJYKHC-UHFFFAOYSA-N 449.967 5.100 30 10 IKEE Fc1ccc(Cc2nnc(SCc3c(F)cccc3Cl)n2N=Cc2ccco2)cc1 2329869094 XRQPFNUMHQZTJV-UHFFFAOYSA-N 444.894 5.568 30 10 IKEE CCCSc1nnc(Cc2ccccc2)n1N=Cc1cccc(OCc2ccccc2)c1 2330499058 BUMJBSRVLKNIHP-UHFFFAOYSA-N 442.588 5.832 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2-c2ccccc2)cc1 2330674709 NVIFPYZIFJYOHR-UHFFFAOYSA-N 434.952 5.782 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cc(C)ccc3C)c([N+](=O)[O-])c2)cc1 2330968066 SCFYRXRGIAZMBW-UHFFFAOYSA-N 445.471 5.264 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1sccc1C 2331131618 YTKULKQOOPBABB-UHFFFAOYSA-N 426.921 6.224 30 10 IKEE CC(C)COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2Cl)cc1 2331165834 IUZNFINKEVYFMT-UHFFFAOYSA-N 434.919 6.490 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2331231471 KJZSMYVVRUGLFE-UHFFFAOYSA-N 445.471 5.726 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)c1ccc(N(C)C)cc1 2331236741 ZNBWXXMVMXYRCY-UHFFFAOYSA-N 429.516 5.493 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)c1 2331318418 JJECAOQNTYLNFT-UHFFFAOYSA-N 435.863 5.980 30 10 IKEE CCc1ccc(C(=O)Oc2c(OC)cc(C=CC(=O)c3ccc(F)c(C)c3)cc2OC)cc1 2331334723 FJGVSTBFVZBMPU-UHFFFAOYSA-N 448.490 5.829 30 10 IKEE COCCOCC(=O)Oc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1Cl 2331416024 HQKZQUJEHPDEJB-UHFFFAOYSA-N 430.928 5.102 30 10 IKEE CCOc1cccc(C=Nn2c(CC(C)C)nnc2SCc2ccc(Cl)cc2)c1 2331467657 QORRMFCGQLEVBW-UHFFFAOYSA-N 428.989 5.703 30 10 IKEE O=C(CCCOc1ccccc1Cl)Oc1ccc(C=CC(=O)c2ccc(F)cc2)cc1 2331512867 YBFCFZMTVFPUNO-UHFFFAOYSA-N 438.882 6.140 30 10 IKEE Cc1cccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])c1C 2331527780 XOVATIAIPRSDKZ-UHFFFAOYSA-N 449.434 5.231 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2OC)cc1 2331541493 SYQOXAYGNMDKBQ-UHFFFAOYSA-N 432.491 5.831 30 10 IKEE COc1ccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C(C)C)cc1 2331705192 NBTWLFIDMCIVEC-UHFFFAOYSA-N 435.380 5.891 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccco3)c(Cl)c2)c(OCC)c1 2331733977 MYRGAHMMUUOSKK-UHFFFAOYSA-N 440.879 5.846 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)COc3ccccc3)c(OC)c2)cc1C 2331854775 OPEXJUNIYMNLSK-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)CC(C)(C)C 2331863821 OOSZBOHCJOBBMG-UHFFFAOYSA-N 435.347 6.630 30 10 IKEE C=CCN(Cc1cccs1)C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 10200790 BXPOYJJFJVTSRU-UHFFFAOYSA-N 446.601 5.303 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(C(C)C)cc1)N2 14462930 CQBVXCZRZFFYER-DPZBCOQUSA-N 448.632 5.999 30 10 IKEE CC(C)Oc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(Cl)c(Cl)c1)C2 21233821 SCHZBCFZIPSMNW-RDJZCZTQSA-N 444.358 5.785 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)c(OC)c1 34955185 QHPSERXWJBCYDW-GZTJUZNOSA-N 444.527 6.117 30 10 IKEE COc1ccc(/C=C2\S/C(=N/c3cccc(C)n3)N(C3CCCCC3)C2=O)c(OC)c1 39863614 SGYGMZCFXCJGHZ-SXVBQMOPSA-N 437.565 5.344 30 10 IKEE C=CCc1ccc(OCCCn2c([C@@H](O)c3ccccc3)nc3ccccc32)c(OC)c1 40224340 RUZGQARFXQCLTP-SANMLTNESA-N 428.532 5.324 30 10 IKEE CCN(C(=O)c1oc2c(c1C)/C(=N/Nc1ccc([N+](=O)[O-])cc1)CCC2)c1ccccc1 40814791 WBCUYMMLUROVPS-LHLOQNFPSA-N 432.480 5.315 30 10 IKEE CCn1cc(/C=C2\Oc3c(ccc(OC(=O)c4cccc(C)c4)c3C)C2=O)c2ccccc21 41355165 AGIXVOGDLQWYRZ-MYYYXRDXSA-N 437.495 6.113 30 10 IKEE CC[C@H](C(=O)Nc1cc(Cl)c([C@H](C#N)c2ccc(Cl)cc2)cc1C)c1ccccc1 59240275 LXUDUNCCXHLHQI-RBBKRZOGSA-N 437.370 7.090 30 10 IKEE Cc1nc2scc(-c3ccc(Cl)c(Cl)c3)c2c(=O)n1Cc1cccc(C#N)c1 96525617 NFEIJOMJJULWQZ-UHFFFAOYSA-N 426.328 5.660 30 10 IKEE CCCCCCCOc1ccc(NC(=O)CNc2ccc(NC(=O)CC(C)C)cc2)cc1 100097058 OSRNSIMAYHMMEE-UHFFFAOYSA-N 439.600 6.071 30 10 IKEE O=C(Nc1ccccc1)[C@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2cccc(Cl)c2)S1 100402734 QJWQFHGQBHIBOB-LQUAGZSJSA-N 449.963 5.501 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(N(C)C)cc2)S/C1=N/c1nc(-c2ccccc2)cs1 101130357 KTZXBQGMSOWGAM-QJYUKRAPSA-N 434.590 5.500 30 10 IKEE COCCN1C(=O)/C(=C\c2cn(C(C)C)c3ccccc23)S/C1=N/c1ccc(OC)cc1 101633171 CFFJQCHIQBJBOM-JHXFIANCSA-N 449.576 5.481 30 10 IKEE Cc1ccc2nc(N3C(=O)C(=O)/C(=C(\O)c4ccccc4)[C@H]3c3ccc(F)cc3)sc2c1 102507222 XXNYGLZRWUNMGI-SADKCHQCSA-N 444.487 5.370 30 10 IKEE O=C1C(=O)N(c2ccccn2)[C@@H](c2cccc(Cl)c2)/C1=C(/O)c1ccc(Cl)cc1 102528537 ZWAAUTXRPQCQGQ-HQMFNGAOSA-N 425.271 5.015 30 10 IKEE O=C1C(=O)N(Cc2ccco2)[C@@H](c2ccc(Cl)cc2)/C1=C(/O)c1ccc(Cl)cc1 102590015 ABRYUGDREVOOIP-HQMFNGAOSA-N 428.271 5.208 30 10 IKEE CCOc1ccc(N2COc3c(cc4c(c3C)O/C(=C/c3ccc(OC)cc3)C4=O)C2)cc1 102723363 LUWYHIVQFNLEST-ZMOGYAJESA-N 443.499 5.375 30 10 IKEE CCCCCCCCCCCC(=O)Nc1scc(-c2ccc(F)cc2)c1C(=O)OCC 106143338 QOZGFFVBMWUOOW-UHFFFAOYSA-N 447.616 7.590 30 10 IKEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1c(-c2ccc(F)cc2)ncn1Cc1ccccc1 109690085 MNKUDDMUYZAWDS-GOSISDBHSA-N 440.478 5.015 30 10 IKEE Clc1ccccc1CSc1nncn1/N=C\c1c(Cl)ccc(Cl)c1Cl 137715247 XSNIMZXLOFFDSN-HOEBFWFUSA-N 432.163 6.066 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2cccc(C)c2C)cc1 169925033 QLKZIJPGONFTAE-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2cccc(OC)c2)cc1 169929939 SIYGZXPAZDVZQL-VWLOTQADSA-N 441.527 5.657 30 10 IKEE COc1cc(/C=N\Nc2nc(-c3ccc(C)c(C)c3)cs2)ccc1OCc1ccccc1 169940778 JDTVYYOLEMIRRR-DICXZTSXSA-N 443.572 6.461 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1ccc(O)cc1)c1ccc(Cl)cc1 169964139 LKTVICYOHDIXRN-HXUWFJFHSA-N 441.817 5.107 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@@H]2c2cccs2)cc1C 169989827 IVZHCALAHKOFAX-HXUWFJFHSA-N 429.501 5.024 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cc(Cl)ccc2C)[C@H]1c1ccccc1 170052156 CQSJVOROPQXPFU-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@H]1c1ccccc1 170052455 FEDHYANIBRFCJE-HSZRJFAPSA-N 445.902 5.366 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@H]2c2ccccc2)cc1 170052736 BQRWJDWADHCDCP-XMMPIXPASA-N 443.499 5.185 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1cccs1)c1cccc2ccccc12 170154299 JITVSXWNBQOJFU-OAQYLSRUSA-N 431.538 5.741 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2cccs2)cc1C 170159002 YINJPLWUHZNDPX-QHCPKHFHSA-N 447.556 5.773 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1cccs1)c1ccc(Cl)c(Cl)c1 170159237 BXJFWUGFFVRQKI-GOSISDBHSA-N 430.312 5.838 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2)ccc1OCC(C)C 170231542 CJZDUYVRHMBLCH-VWLOTQADSA-N 447.575 5.941 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(Cl)cc1 170235355 MTCZVDZPZQNXLN-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccc(Cl)cc1 170236447 DGGYVWATNAGOMA-OAQYLSRUSA-N 427.928 5.363 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2F)cc1 170246923 ATXBZFQKBZBQHL-OAQYLSRUSA-N 437.492 5.064 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@@H]1c1ccccc1C 170277263 OBJUHHAPJRURAZ-DEOSSOPVSA-N 449.591 6.070 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccc(C)o2)c1 170304494 VKZFYOSQLVKNSE-DEOSSOPVSA-N 439.467 5.538 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2sccc2C)c(C)c1 170317407 IODVFLGABYGLGR-HXUWFJFHSA-N 425.550 5.285 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1cccc2ccccc12)c1ccncc1 170369621 DEEWYYBACGKJGJ-HSZRJFAPSA-N 442.421 5.296 30 10 IKEE CCCCCCCOc1ccc(NC(=S)NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1 206635056 FKIABAGGLXVREF-SXGWCWSVSA-N 441.553 5.470 30 10 IKEE CCCCCCCCCOc1ccc(C[C@@H]2CN(C)CC[C@H]2O)cc1Br 243955185 RZDLPJFTLAAQOM-TZIWHRDSSA-N 426.439 5.434 30 10 IKEE C(=Nc1cc2c3c(c1)[C@H](c1ccccc1)CCN3CC[C@H]2c1ccccc1)c1ccccc1 252621910 NJYHHTCFAHCIPJ-NSOVKSMOSA-N 428.579 7.315 30 10 IKEE CN1/C(=C2\SC(=Nc3ccc(O)cc3)N(C3CCCCC3)C2=O)Sc2ccccc21 254480325 XNSRHWITDVOZAE-QLMUGPIMSA-N 437.590 5.699 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=S)Nc2ccc(F)cc2)cc1 254738004 YYSNQYSUBGAVBC-UHFFFAOYSA-N 445.523 5.008 30 10 IKEE C=CCN(C[C@@H](Cc1ccc(Br)cc1Cl)NCC)C(=O)OC(C)(C)C 406109173 GZJCGHOLRWKKRQ-MRXNPFEDSA-N 431.802 5.046 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(F)ccc1Br)NCCC 407092846 SUTZFXLIPWVUQA-MOPGFXCFSA-N 443.401 5.358 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(F)ccc(Br)c1F 407483149 XBILPHJCWLNBRH-YOEHRIQHSA-N 433.337 5.237 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccs2)cc1OC 526486446 KXUHCYQYVYHDTM-JOCHJYFZSA-N 432.501 5.084 30 10 IKEE CC(C)COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(F)cc2)c1 526606455 ZVKAVDGADRGTOD-RUZDIDTESA-N 442.490 5.789 30 10 IKEE CCCCCCCOc1ccccc1/C=N\n1c(C)nnc1SCc1ccc(C)cc1 526804395 QVZPWPNAGULOAG-ITYLOYPMSA-N 436.625 6.419 30 10 IKEE Cc1cccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2cc(C)cc(C)c2)c1 526808881 BXLGFTPXTJMKRU-VEILYXNESA-N 440.616 6.163 30 10 IKEE CCOc1cc(/C=N\n2c(C)nnc2SCc2cc(C)cc(C)c2)cc(Cl)c1O 526810010 TYAFRPVMGJNJSP-KSEXSDGBSA-N 430.961 5.136 30 10 IKEE CCCOc1ccc(/C=N\n2c(C)nnc2SCc2ccc(Cl)c(Cl)c2)cc1 526814560 LKNFKRVIPCSGIL-FMCGGJTJSA-N 435.380 5.857 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1ccc(OC)c(OCC)c1 526822052 DXEJAEJZBZALDK-QQXSKIMKSA-N 449.580 5.074 30 10 IKEE CCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1/N=C\c1ccc(C(C)C)cc1 526828198 ZNWHFESIDOTPFL-MYYYXRDXSA-N 436.581 5.315 30 10 IKEE C[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Br)c2)c2ccccc21 698455647 FSBRYHRZSSQKME-OYHNWAKOSA-N 427.342 6.117 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 698830384 VHCMTNRAZQTSDT-QMHKHESXSA-N 433.524 5.106 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 698831480 ZYGTTWACNZJKHC-JPYJTQIMSA-N 433.524 5.249 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 698853140 AQKHODKXQDWRJB-CYFREDJKSA-N 447.551 5.639 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@](C#N)(N(C(=O)OC(C)(C)C)C3CCCC3)C[C@H]2C1 698889867 GVKKWKXHYRSYAU-XFAGBWLFSA-N 433.593 5.095 30 10 IKEE CCCCCCCCCOc1ccc(C=Nc2ccc(N=Nc3ccccc3)cc2)cc1 725325565 YVPYZHCSBVXQFE-UHFFFAOYSA-N 427.592 8.982 30 10 IKEE O=C(/C=C\c1ccc(OC(F)F)c(Br)c1)c1ccc(C(F)(F)F)nc1O 768266259 AQEYEHJYVPJLFZ-RJRFIUFISA-N 438.146 5.066 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2ccc(C)cc2Br)c1 829353886 KFTBZVPIOTYSHL-IBGZPJMESA-N 431.330 5.773 30 10 IKEE COC(=O)c1ccc(N=Cc2ccccc2OC(=O)c2sc3ccccc3c2Cl)cc1 1084109820 BGEAOHRYQRFXKS-UHFFFAOYSA-N 449.915 6.311 30 10 IKEE Cc1ccc(NS(=O)(=O)c2ccc(N=Cc3cc([N+](=O)[O-])ccc3Cl)cc2)c(C)c1 1084325544 WYHNABXEVMPBAF-UHFFFAOYSA-N 443.912 5.416 30 10 IKEE C=CCN(Cc1cccs1)c1nnc(-c2nnc(O)c3ccccc23)n1CC(C)(C)CC 1705866527 SRWPSGMRGLULJH-UHFFFAOYSA-N 448.596 5.284 30 10 IKEE CCCCOc1ccc(/C=C2/SC(=Nc3nc(C)cs3)N(CC)C2=O)cc1OC 1772732904 FFGGVRDYENMPQT-OKZFSLEBSA-N 431.583 5.263 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccc2OCC(=O)Nc2ccccc2)c1 1858702804 HTWHXITTXWFBHD-UHFFFAOYSA-N 444.535 5.189 30 10 IKEE C=CCNC(=O)Oc1cccc2c(NC(=O)c3cc(OCC)cc(OCC)c3)cccc12 1858944137 PQVGOPPPPZDZGQ-UHFFFAOYSA-N 434.492 5.164 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1c(Cl)cccc1Cl 1862386413 MWASLLLPFJHHOJ-MRXNPFEDSA-N 445.129 5.898 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc(C)c2)cc1 1862389342 DDCQRDORMFGNFB-RUZDIDTESA-N 431.576 6.249 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2cccc(O)c2)cc1 1862390170 XBWUJWUQWCAZHC-DVKBMCPXSA-N 447.575 5.892 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@@H]2c2cccc(C)c2)cc1 1862413039 UBZXUEMETOZYGW-QHCPKHFHSA-N 433.454 5.360 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@H]2c2ccc(F)cc2)c1 1862413912 NOTZZBAFUZAUDT-JOCHJYFZSA-N 437.417 5.191 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1Cl 1862435616 AQQCMYQTOIRPAP-FQEVSTJZSA-N 440.883 5.159 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1C 1862444237 YTEGKNVNOCPNKM-QFIPXVFZSA-N 441.955 5.434 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2C2CCCC2)cc1 1862463948 MLLJDAXOFFVPIO-JOCHJYFZSA-N 443.465 5.748 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cccc(OCc2ccccc2)c1 1862499422 HIACAMATBQAOCZ-RUZDIDTESA-N 441.527 5.481 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cccc(Cl)c1 1862503530 ZGYFKHOMLJTMBH-NRFANRHFSA-N 429.919 5.946 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C2CCCCCCC2)c1 1862625578 KCNBBDQHWZGEEL-DEOSSOPVSA-N 447.531 5.415 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1cccc(F)c1)c1cccc2ccccc12 1862649915 JNSHHESHFVYOEC-XMMPIXPASA-N 438.458 5.152 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cccc(Cl)c1)c1cccc2ccccc12 1862652278 FPHIWNKCDRMILW-HSZRJFAPSA-N 431.919 6.014 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc(Cl)c2)cc1 1862661521 QZIYYNNREBYMNL-QHCPKHFHSA-N 437.967 6.374 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)c1 1862713809 XDIBZGPXDJVGEH-YZXAJQSBSA-N 439.555 6.305 30 10 IKEE CCOc1cc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CC(C)C)ccc1O 1862717060 VQXFVVPTPZXXFP-DEOSSOPVSA-N 445.515 5.178 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cccc4cccnc34)C2=O)cc1C 1862871147 SVZZQQQWCMJRQE-UHFFFAOYSA-N 444.494 5.120 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2C)=C(c2ccccc2[N+](=O)[O-])C1=O 1863239138 XCZZTGDJRPWQJW-UHFFFAOYSA-N 435.524 5.456 30 10 IKEE CCCCCCCCN1C(=O)C(NCCc2cccs2)=C(c2ccc(F)c(C)c2)C1=O 1863792145 TYHNCZBTWFDLDB-UHFFFAOYSA-N 442.600 5.468 30 10 IKEE CCC[C@@H](NC(=O)c1ccc(-c2cc3ccccc3[nH]2)cc1)C(=O)Nc1ccc(C#N)cc1 1867063937 YTCUYDMAPMGIEN-XMMPIXPASA-N 436.515 5.244 30 10 IKEE CCc1nc(Nc2cccc(C#N)c2)cc(N2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)n1 1868268161 BRQWUODXSVDIOS-HXUWFJFHSA-N 437.469 6.015 30 10 IKEE COc1cccc([C@H]2c3ccccc3CCN2c2cc(Nc3ccc(C#N)cc3)nc(C)n2)c1 1868496930 PDZWGRKXIMQKTL-NDEPHWFRSA-N 447.542 5.561 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3cc4cc(C)ccc4nc32)nc(-c2cccnc2)n1 1869359408 GUOWRUSNOSXCJE-UHFFFAOYSA-N 434.547 5.268 30 10 IKEE CCCCOc1ccc(C(=O)Nc2c(C#N)nnn2-c2ccc(C(C)C)cc2)cc1OCC 1870153445 UAVCCVFHIWGEBA-UHFFFAOYSA-N 447.539 5.092 30 10 IKEE C=CCOc1cn(CCCCCCCCCC)c(CNc2ccc3nc[nH]c3c2)cc1=O 1870813024 SHGZRXLCGMBZSX-UHFFFAOYSA-N 436.600 6.042 30 10 IKEE C=CCOc1cn(Cc2ccc(OC)cc2)c(CNc2cccc(C(C)(C)C)c2)cc1=O 1870813558 PZENMEFNQDHHJB-UHFFFAOYSA-N 432.564 5.380 30 10 IKEE CCCCCCCOc1cn(CCCO)c(CNc2cccc(C(C)(C)C)c2)cc1=O 1870837419 FKRPPCUSFUWJKD-UHFFFAOYSA-N 428.617 5.490 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(C)cc2)c(CNc2cccc(C)c2)cc1=O 1870839209 AAUDNUYJEVPHAD-UHFFFAOYSA-N 432.608 6.475 30 10 IKEE CCCCCCCCn1cc(OCCOc2ccccc2)c(=O)cc1CNc1ccccc1 1871048402 WQMSGVWDVQDWJW-UHFFFAOYSA-N 448.607 6.279 30 10 IKEE C=CCn1cc(OCCCCOc2ccc(C)cc2)c(=O)cc1CNc1ccc(OC)cc1 1871226607 YUBWDPUIUPBUOP-UHFFFAOYSA-N 448.563 5.201 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN([C@@H]1CCCC[C@@H]1C)C3 1871350993 FBBMPWPZZHSXIJ-WWWGFBOGSA-N 433.548 5.741 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(Cl)cc1)C3=O)CN(Cc1ccccc1F)CO2 1871352459 KHUZQKYKUUWCMO-YVNNLAQVSA-N 435.882 5.756 30 10 IKEE COc1ccc([C@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2ccccc2C)C4=O)cc1 1871354404 PNXHSCLSOIQUQS-BDFPJNNISA-N 427.500 5.533 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871387683 JJQWTIZXKZNPFT-UCQKPKSFSA-N 434.875 5.964 30 10 IKEE CCCCCOc1cc(C)c2c(c1)O/C(=C\c1cc(Br)ccc1OC)C2=O 1871399593 OBQNUFZSZRMSLC-NDENLUEZSA-N 431.326 5.951 30 10 IKEE CCCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 1871418749 LBBXSSKDONHMLY-IWIPYMOSSA-N 428.484 5.610 30 10 IKEE COc1ccc(C)cc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1cccc(C)c1)C2=O 1871428723 PSOSLYQCDWYVCK-OYKKKHCWSA-N 443.499 5.254 30 10 IKEE CCOC(=O)c1ccc(COc2ccc3c(c2C)O/C(=C\C=C\c2ccccc2)C3=O)o1 1871439205 NLGTWKMPLCAAHF-VQUKJFRASA-N 430.456 5.516 30 10 IKEE CCCCCCCCN=c1nc(N2CCC[C@H](C)C2)[nH]c(=Nc2cccc3ccccc23)[nH]1 1871729598 KLCGCXVQCXDJNS-NRFANRHFSA-N 446.643 5.621 30 10 IKEE CC(C)c1ccc(O[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 1872763382 KWYODRPAPWVYJI-FOIQADDNSA-N 435.505 5.485 30 10 IKEE N#C[C@H](C(=O)/C=C/c1ccc(Cl)cc1Cl)c1nc(-c2ccccc2Cl)cs1 1872764462 NVWIBBUQMBXILX-PMGBHYCQSA-N 433.747 6.660 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@@H](C#N)C(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)c1C 1872781735 YRGFTDIDFYARFV-KRWDZBQOSA-N 439.924 6.095 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-n4cccc4)cc3)n2)c(OC)c1 1872784033 NVMLGAHBGYPWPN-HXUWFJFHSA-N 429.501 5.108 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)COc3cccc(C)c3C)n2)cc1Cl 1872785207 IHHFVMIXROJLOE-MRXNPFEDSA-N 426.925 5.344 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)Cc2cccc3ccccc23)n1 1872786873 VGBXANOKWMYHME-OAQYLSRUSA-N 446.959 6.353 30 10 IKEE Cc1cccc(OCC(=O)[C@@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)c1C 1872787123 BHGCMXIPRFAICM-MRXNPFEDSA-N 431.344 5.989 30 10 IKEE C=CCc1ccccc1OCc1cccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c1 1872834524 ZCBQKYHZZWQDFL-NRFANRHFSA-N 425.572 6.364 30 10 IKEE C=CCn1c(C(=O)N(CCCC)CCCC)cc2c(N(CCC)CCCC)ncnc21 1873562140 OXIQFXLYMYKTRQ-UHFFFAOYSA-N 427.637 5.676 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(C)c(F)c1)n2CCC 1873619772 MQWOVOQKPWOUDG-UHFFFAOYSA-N 439.579 6.314 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(N(C)C)cc1)n2CC 1873620002 RACNVOFLXBUHRP-UHFFFAOYSA-N 436.604 5.542 30 10 IKEE C=CCn1c(C(=O)Nc2cc(Cl)ccc2C)cc2c(NCc3ccc(C)cc3)ncnc21 1873641923 TUDVVDZOOVOYML-UHFFFAOYSA-N 445.954 5.752 30 10 IKEE CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1cccc(Br)c1 1874242018 LDMXMZGGMKTYSZ-YDZHTSKRSA-N 445.430 5.404 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1ccc2c(c1)OCCO2 1874287837 ZSEVKLCXOQDOOX-KOEQRZSOSA-N 440.613 5.674 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2F)cc1C 1874329928 IBDMRFZJNDEQRM-OGLMXYFKSA-N 444.579 5.994 30 10 IKEE Cc1ccc(CSc2nnc(CCOc3ccccc3)n2/N=C/c2ccc(O)cc2)cc1 1874346181 YULRDFOLWKTRMV-YZSQISJMSA-N 444.560 5.088 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(F)cc1 1874361257 GWMLPPBJENCYKX-LQKURTRISA-N 448.542 5.824 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2F)n1/N=C/c1cccn1C 1874362631 OIPLWOPJEDGBST-WGOQTCKBSA-N 433.556 5.024 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccccc3Cl)n2/N=C/c2cccc(F)c2)cc1 1874365198 PTIYYIRRUHBABB-VULFUBBASA-N 436.943 6.221 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccncc1 1874400988 FPCWTFMUJPJVEB-AEIQVQRHSA-N 433.968 5.653 30 10 IKEE C=CCSc1nnc(CC2CCCCC2)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874409143 HVRFBRCDZMSPQO-LFVJCYFKSA-N 428.602 5.357 30 10 IKEE Cc1cccc(CSc2nnc(Cc3cccs3)n2/N=C/c2ccc(C(=O)O)cc2)c1 1874410343 OTVDAVNSLRYKTA-ZVHZXABRSA-N 448.573 5.112 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2ccccc2Cl)nnc1C(C)(C)C 1874484191 JZHZZVYKHCHSRP-MFKUBSTISA-N 441.000 5.968 30 10 IKEE COc1ccc(OC)c(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C(C)(C)C)c1 1874485048 BJTSZJXQZOVBNM-ZMOGYAJESA-N 444.988 5.421 30 10 IKEE Clc1ccc(CSc2nnc(C3CCC3)n2/N=C/c2ccc3c(c2)OCCO3)cc1 1874496865 HWUUPGXDSAAHRK-ZMOGYAJESA-N 440.956 5.145 30 10 IKEE CC(C)c1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874511855 DQIUAVDOLCTESW-LSHDLFTRSA-N 433.896 5.277 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2ccc(C(C)C)cc2)c(C)c1 1874522687 GMMOXCFBRXQUQV-VULFUBBASA-N 447.608 5.509 30 10 IKEE C=CCSc1nnc(CC)n1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1874526279 VMGKKMPGLFZAGZ-YZSQISJMSA-N 428.561 5.733 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1c(F)cccc1Cl 1874529065 QALGTUVNAOUOLU-NUGSKGIGSA-N 427.307 5.600 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCc2cccc(Cl)c2)cc1 1874572727 BRNAFMAHEBACOC-VAWYXSNFSA-N 441.354 7.040 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3cc(C)ccc3C)c2)cc1 1874594018 NMOJSRIZCQGPIM-GXDHUFHOSA-N 443.543 5.788 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3cc(C)ccc3C)c2)cc1Cl 1874599749 BUNHTOUIHFRRDI-JXMROGBWSA-N 436.935 6.449 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCc3cccc4ccccc34)c([N+](=O)[O-])c2)cc1 1874604812 GNHDGSYZKUAZKE-FOWTUZBSSA-N 437.495 6.786 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc([N+](=O)[O-])c1OCc1cc(C)ccc1C 1874614263 BAVQHCQRGIYWNC-OUKQBFOZSA-N 431.488 6.085 30 10 IKEE COC(=O)c1ccc(COc2c(Cl)cc(/C=C/C(=O)c3ccccc3)cc2OC)o1 1874614405 OTKJEPGPOFANSJ-CSKARUKUSA-N 426.852 5.203 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1 1874622045 JBXMRZFVTMVLQP-WOJGMQOQSA-N 427.544 6.206 30 10 IKEE CCCCCCCOc1ccc(C(=O)CCN2CCN(C/C=C/c3ccccc3)CC2)cc1 1874690291 PWJFTHDHHAJDJU-JLHYYAGUSA-N 448.651 5.940 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2cccc(Cl)c2)c1)c1ccc(-c2ccccc2)cc1 1874693186 RLIYNBJGNRFVCI-SFQUDFHCSA-N 438.910 7.122 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)[C@H](C)c3ccccc3)c2)c(OC)c1 1874714084 COWWLBZDASXZJD-PMXLPMHFSA-N 446.499 5.318 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cncc(C)c3)c2)c(OCC)c1 1874715042 ZYQIILAFIXAPGS-FMIVXFBMSA-N 431.488 5.303 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)c(C)c1 1874716275 KYIIIYZVFPGHBA-JXMROGBWSA-N 449.890 6.289 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(OC)c1OC(=O)Cc1cccs1 1875114907 CMRQUUSTJZKAIH-MDWZMJQESA-N 448.540 5.538 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)Cc1ccc(C)c(C)c1 1875119894 RYAOSTZUBYPNNW-WYMLVPIESA-N 444.527 5.755 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC(=O)CCc1ccccc1C 1875122330 YCVFFESBOCWZSO-SDNWHVSQSA-N 448.946 6.481 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 1875146319 OMDNJSXFRHANJP-JXMROGBWSA-N 439.464 5.138 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OC(=O)C1CCCC1 1875150938 MIBZDROBOAZGTQ-VQHVLOKHSA-N 442.895 5.459 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)Cc1ccc(C)cc1 1875156796 IPEOJTGENGSVIN-OQLLNIDSSA-N 428.528 6.171 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)C(C)(C)C)c([N+](=O)[O-])c2)c(OCC)c1 1875177228 ARXVRMQUOCGPDL-XYOKQWHBSA-N 441.480 5.240 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)C2CCCC2)c(Cl)c1 1875180919 FRWNXJSBGSRRHS-VQHVLOKHSA-N 433.331 6.302 30 10 IKEE C=CCC[C@@H](C)SC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1883384091 ZWGDSZOXMNKMKK-OPAMFIHVSA-N 425.550 5.066 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)Oc3cccc(C(F)(F)F)c3)ccc21 1891395734 FAGAEKZGAHSTDA-UHFFFAOYSA-N 434.414 5.254 30 10 IKEE C=C(C)CN(Cc1ccccc1)c1cc2c(cc1Br)[C@H](NCCC)C(=O)N2 1914964051 QTKBNMWESLBLFE-NRFANRHFSA-N 428.374 5.025 30 10 IKEE COc1cccc([C@@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)c1Br 1927301448 FFJGFQSJHXBBIW-OAHLLOKOSA-N 437.359 5.521 30 10 IKEE CC[C@@H]1N(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1991576172 MSAJRQKDCUNOJE-HTAPYJJXSA-N 435.952 5.373 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@H](C#N)[C@@H]1CCCCN1C(=O)OC(C)(C)C 1991949648 BTOWVTOFOAXOPM-ZWKOTPCHSA-N 435.590 5.167 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)C2=CCC(F)(F)CC2)C1 1999907553 LDOGTOZPYSARIO-QHCPKHFHSA-N 435.511 5.145 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@H]1CC[C@](F)(CNC(=O)OC(C)(C)C)CC1 2008941442 APZCHXHJRMHYKW-RQTOMXEWSA-N 434.596 5.161 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F 2012163150 XSVKCHFALADBHS-RBUKOAKNSA-N 444.538 5.219 30 10 IKEE CC(C)N(C(=O)OC(C)(C)C)C1(C#N)CC2(C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)C1 2012873934 UGNDDTFRTBKACI-ISVJADKWSA-N 433.593 5.236 30 10 IKEE O=C[C@@]1(C(F)(F)F)C[C@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2024245340 XXLAVBQOXRSPAN-URXFXBBRSA-N 426.434 6.080 30 10 IKEE CCCCCC#CC[C@H](NCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2024370298 NQXMNHKDPDWAKG-OEMFJLHTSA-N 430.633 5.437 30 10 IKEE CCCCCCCCCC[C@H](NCC)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2034441926 XRKYYBDOVJYODY-DQEYMECFSA-N 448.692 6.605 30 10 IKEE CCOC(=O)c1[nH]c(C)c(C(=O)C=Cc2ccc(OCc3ccccc3)c(OC)c2)c1C 2042446618 VZZLUUSEURTYAA-UHFFFAOYSA-N 433.504 5.292 30 10 IKEE C=C1CC[C@H](O)CC1=CC=C1CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@@H](C)C=C[C@@](C)(O)C(C)(C)O 2053621862 BPEQZNMKGFTMQE-ANBAPWDSSA-N 428.657 5.871 30 10 IKEE Cc1ccc([C@H](C2CCC2)n2nc(C3CC3)c(C#N)c2I)cc1F 2079101666 FVOGMUAAPLTMCS-SFHVURJKSA-N 435.284 5.074 30 10 IKEE CC1([C@@H](c2ccc(C(F)(F)F)c(F)c2)n2nc(C(F)(F)F)c(C=O)c2Cl)CC1 2079846867 KBGPZBAOOFRTAK-CYBMUJFWSA-N 428.735 5.915 30 10 IKEE CC[C@@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)(F)F)c(N)c1Br 2079848992 QIQQZOZBQKDOPK-VIFPVBQESA-N 434.153 5.404 30 10 IKEE N#Cc1c(C2CCCCC2)nn(Cc2cccc(F)c2Br)c1Br 2080306051 GLZFMNNEXPZHSO-UHFFFAOYSA-N 441.142 5.515 30 10 IKEE Fc1cccc(C(F)(F)F)c1-c1c(C(F)(F)F)nn(C2CCSCC2)c1Cl 2080758964 MOXLUXALEUVBDK-UHFFFAOYSA-N 432.792 6.448 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(C)cc(Br)c1 2134102894 DCQLKLISFDWUBC-RBUKOAKNSA-N 425.411 5.658 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1c1ccc(Nc2cc(Br)cc(C#N)c2)cc1 2162387072 JHXIPUQOEHLSBD-RTBURBONSA-N 428.330 5.445 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@]2(CNc3ccc(C#N)c(Br)c3)CCC[C@@H]12 2165308430 UOUZUUDAFVVHGD-NQIIRXRSSA-N 434.378 5.302 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CC[C@]2(CCCOC2)C1 2185131950 FBBTUFAROAVMIB-RTWAWAEBSA-N 435.362 5.434 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](Cc2ccc(Br)c(F)c2)NCCC)C1 2197753571 NLPUCPPGJHKWLA-SFHVURJKSA-N 441.385 5.112 30 10 IKEE C=CCCCCCCCC[C@H](O)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2207447443 INGDJNOHHRNSTO-FQEVSTJZSA-N 440.422 7.136 30 10 IKEE C=CCCCC[C@@H](NCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237427882 FKQMRSBKQZYAHU-UXHICEINSA-N 439.438 5.609 30 10 IKEE C[C@@H](NC(=O)OC(C)(C)C)c1cccc(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)c1 2266994818 ZJLZGIJZJJAXKL-MRXNPFEDSA-N 444.381 5.227 30 10 IKEE Cc1ccc(C)c(N=Cc2ccc(OC(=O)C=Cc3ccc(Br)cc3)cc2)c1 2296654004 KLPAXEHHVNCDBM-UHFFFAOYSA-N 434.333 6.435 30 10 IKEE CCOc1ccc([C@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 2296771990 XINCQOIJQABJQG-QHCPKHFHSA-N 447.918 5.673 30 10 IKEE CC1(C)OB(c2cc(Cl)cnc2Nc2ccc(OCc3ccccc3)cc2)OC1(C)C 2317219574 ASKYJXXCRODVFW-UHFFFAOYSA-N 436.748 5.357 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 2321309534 VFRAOZGEUCSEDY-VQTJNVASSA-N 441.572 5.418 30 10 IKEE Cc1cc(OCc2ccccc2Cl)cc2c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O2 2321762256 DDEBBJCJJUHIHK-UHFFFAOYSA-N 445.729 7.150 30 10 IKEE CCOc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN([C@@H](C)c1ccccc1)C3 2322092548 KCJICCJJKFFWRL-IBGZPJMESA-N 441.527 5.923 30 10 IKEE CCCCC[C@@H](CC)N1COc2c(cc3c(c2C)OC(=CC=Cc2ccccc2)C3=O)C1 2322356868 ZTNPBYGJRZPXNT-HSZRJFAPSA-N 431.576 6.678 30 10 IKEE O=C(C=Cc1cc(Br)ccc1OCc1ccc(F)cc1)c1ccccc1Cl 2322436544 KJZAQZLIPADVAN-UHFFFAOYSA-N 445.715 6.717 30 10 IKEE Cc1cc(OC(=O)c2cccc(Cl)c2)cc2c1C(=O)C(=Cc1c(F)cccc1Cl)O2 2322916004 QRBLMYQBPPAOKA-UHFFFAOYSA-N 443.257 6.276 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccccc1OCC(=O)Nc1ccc(C)cc1 2322926793 IMXOCHNBZYKGGR-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCc3ccc(C)cc3)ccc3ccccc23)cc1Cl 2322975102 XEFVXRBCUIQFFG-UHFFFAOYSA-N 442.942 7.285 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)OCC(C)C)cc1Cl 2322975240 OLZNOMXCTJOYQV-UHFFFAOYSA-N 437.319 5.476 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2cccc(Cl)c2)cc1Cl 2322981224 PTNIZUCIKXLHGK-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1OCc1cccc2ccccc12 2323049419 UPVNEHDNKBGHJL-UHFFFAOYSA-N 448.562 7.202 30 10 IKEE Cc1cccc(NC(=O)COc2cccc(C=CC(=O)c3ccc4c(c3)CCCC4)c2)c1 2323057569 BLJAPVRZVMILLF-UHFFFAOYSA-N 425.528 5.787 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1OCc1cccc(C)c1 2323081437 PJXYIQSYINRSPO-UHFFFAOYSA-N 437.333 6.241 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OC(=O)c3ccc(Cl)c(Cl)c3)cc(C)c2C1=O 2323259801 IOIHSJVRFKHYSS-UHFFFAOYSA-N 445.323 6.507 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC)c(OCc3cccc(Cl)c3)c2)cc1C 2323310695 GEHDFXVDANFTMP-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE CCOc1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)cc1 2323511925 GZUVYVHTVVNTGD-UHFFFAOYSA-N 444.458 5.768 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1cccc(Cl)c1)C2=O)c1cc(Cl)ccc1Cl 2323581242 JXZRZCPYOAOFPD-UHFFFAOYSA-N 445.685 6.482 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OCC(=O)OCC(C)C 2323908854 CWMVDLRPIFXJAG-UHFFFAOYSA-N 430.928 5.521 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(Br)c(OC)c(Br)c1 2323992372 WFSGWCXZNBVNGY-UHFFFAOYSA-N 440.131 5.433 30 10 IKEE Cc1cc(O)c(CN2CCCC[C@H]2CCO)c2c1C(=O)C(=Cc1ccc(C(C)C)cc1)O2 2324140875 DDAYCCYMNOLYHS-NRFANRHFSA-N 435.564 5.177 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cc(Br)c(OC)c(OC)c2)cc1C(C)C 2324266299 LCZZRACGUWBYKM-UHFFFAOYSA-N 433.342 5.803 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)c(C)c1C 2324293770 XIQHUYNYHKEQTJ-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccc(F)cc4)c3C)C2=O)c1 2324319263 FXGQLVZDSRWUFR-KRWDZBQOSA-N 431.463 5.465 30 10 IKEE Cc1cccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4cc(Cl)ccc4C)ccc3C2=O)c1 2324510595 YLWJRFNCFJPESL-QGZVFWFLSA-N 447.918 5.979 30 10 IKEE CCCOC(=O)COc1c(Cl)cc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OCC 2324561087 NXZLRPGJLVHOCE-UHFFFAOYSA-N 444.955 5.892 30 10 IKEE Cc1cccc(C(C)C)c1NC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1)C2=O 2324989907 UIUBUXBFNHCXCI-UHFFFAOYSA-N 427.500 5.752 30 10 IKEE CCCCCOC(=O)COc1ccc2c(c1C)OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2325045211 RTSZAHRIRRTDHF-UHFFFAOYSA-N 436.548 6.021 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccco2)C3=O)cc1 2325621759 KUAUZVKJGYCDFN-INIZCTEOSA-N 431.488 5.735 30 10 IKEE CCc1ccccc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc(C)cc1)C2=O 2325737429 UXQRVJILPNMTAD-UHFFFAOYSA-N 427.500 5.500 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1cccc(C=CC(=O)c2ccc3c(c2)OCO3)c1 2325747649 ZKXZIKHIBJUEGN-UHFFFAOYSA-N 434.875 5.503 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cc(C)cc(C)c3)c2)c2ccccc12 2325777406 VNKNRDODXGISOV-UHFFFAOYSA-N 436.507 6.581 30 10 IKEE CCCSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1cccc(F)c1 2325913767 VKZXOYSEHWATOB-UHFFFAOYSA-N 439.343 5.687 30 10 IKEE Fc1cccc(Cl)c1C=Nn1cnnc1SCc1ccc(Br)cc1 2326606390 HHHVOIDZEGBFFY-UHFFFAOYSA-N 425.714 5.008 30 10 IKEE C(=Nn1c(CC23CC4CC(CC(C4)C2)C3)nnc1SCc1ccccc1)c1ccncc1 2326911236 PEDHRJXKQITAGC-UHFFFAOYSA-N 443.620 5.607 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2Cl)n1N=Cc1cc(Cl)ccc1O 2327649427 ZJLVPOOXLQHGTD-UHFFFAOYSA-N 449.363 5.420 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1cccc(OCC)c1 2328566952 HMNRVQXKFPJUHA-UHFFFAOYSA-N 436.581 5.217 30 10 IKEE CCCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc(Cl)c(Cl)c1 2329121580 YGSOXMIMHYNTQF-UHFFFAOYSA-N 439.799 6.213 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2F)n1N=Cc1cccc(O)c1 2329486847 HPMPZIRAYANBJR-UHFFFAOYSA-N 446.551 5.391 30 10 IKEE Cc1ccccc1CCc1nnc(SCCc2ccccc2)n1N=Cc1ccccc1O 2329489213 HODHTQGJQORBEE-UHFFFAOYSA-N 442.588 5.294 30 10 IKEE C=CCSc1nnc(Cc2ccc(F)cc2)n1N=Cc1c(OC)ccc2ccccc12 2329851167 FOZWBGZAMSDCQF-UHFFFAOYSA-N 432.524 5.330 30 10 IKEE CCCSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1cccc(Br)c1 2330125366 YTGUFVMHWXAKJF-HNNXBMFYSA-N 429.387 5.577 30 10 IKEE Cn1cc(C=Nn2c(SCc3ccccc3F)nnc2-c2cccs2)c2ccccc21 2330583817 VFHITVWOJBZONR-UHFFFAOYSA-N 447.564 5.812 30 10 IKEE Cc1ccsc1C(=O)Oc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl 2330625467 PONXBIHMEUBVRJ-UHFFFAOYSA-N 427.865 5.733 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)CCCC4)cc2Cl)cc1 2330682892 XJVMIXVESLNELO-UHFFFAOYSA-N 446.930 6.343 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1ccccc1F 2330705231 HBEGFMARIXTTCX-UHFFFAOYSA-N 430.475 5.828 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)CC(C)C)c(OC)c2)cc1OC 2330705565 QOFUJJYAQNMZGP-UHFFFAOYSA-N 432.900 5.213 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)[C@H]3CCCO3)c(OC)c2)cc1 2330824371 UBZMJBFGZWGQKD-JOCHJYFZSA-N 442.939 5.672 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)c1cnccn1 2330935549 HLVCKQITUQMRFJ-UHFFFAOYSA-N 443.286 5.297 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc(F)c(F)c1 2330950624 KLOCBSVYVNQBPJ-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE Cc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2[C@@H]2CCCO2)cc1 2330979581 IDCXXVHUYMWFDN-QHCPKHFHSA-N 428.561 5.766 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3cccc(C)c3)cc2)cc1 2331189902 UZNMIDKTQYCPMV-UHFFFAOYSA-N 444.527 6.054 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)Cc1cccs1 2331256027 OXYFXGUKMQFPQW-UHFFFAOYSA-N 426.921 5.763 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)c(F)c3F)c(Cl)c2)cc1 2331266110 OAHCRKYMOUNUOK-UHFFFAOYSA-N 430.809 6.181 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)cc3)c(Cl)c2)ccc1F 2331337200 ILLNEKABYPCNNH-UHFFFAOYSA-N 426.846 5.971 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccccc2C)cc1 2331545706 OJPNWXJVLUGJFS-UHFFFAOYSA-N 428.528 6.416 30 10 IKEE COCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(F)cc1 2331592392 FDDMOUWJCVLVJJ-UHFFFAOYSA-N 425.316 5.045 30 10 IKEE C=CCSc1nnc(CCC)n1N=Cc1ccc(OCCc2ccccc2)c(OC)c1 2331657458 LIVHGJBLUJBSTL-UHFFFAOYSA-N 436.581 5.021 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cccc(Br)c1 2331707059 BBQPRVHXAGGTOL-UHFFFAOYSA-N 449.805 5.992 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C(C)C)cc1 2331708533 UHDIOVPGUOWHHK-UHFFFAOYSA-N 449.407 6.282 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc([N+](=O)[O-])c1OC(=O)C1CCC1 2331774052 DJAYYMCJQZSRNR-UHFFFAOYSA-N 437.492 5.520 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1cc(C)cc(C)c1 2331779766 RNGAUKMFNMRVFP-UHFFFAOYSA-N 442.555 6.743 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(Cl)c2)cc(OC)c1OC(=O)C1CC1 2331834846 IQGBRUYNSSEUSU-UHFFFAOYSA-N 426.896 5.297 30 10 IKEE C=CCN(C[C@H](NCCC)c1cc(Cl)cc(Br)c1F)C(=O)OC(C)(C)C 2337093178 BIQJXVKBPCZTOT-INIZCTEOSA-N 449.792 5.705 30 10 IKEE CC1(C)CN(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCCN1Cc1ccccc1 2365106902 GSAZDUJKQSWRJV-UHFFFAOYSA-N 447.432 5.217 30 10 IKEE COc1ccc(-c2c(C#N)c(SCc3c(C)noc3C)nc3c2C(=O)CC(C)(C)C3)cc1 1100401 LLHHUUGBNBINEI-UHFFFAOYSA-N 447.560 5.681 30 10 IKEE CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N/c1ccccc1-c1ccccc1 3019403 UZRPAGIHXDKHQS-QPRJYHLLSA-N 443.597 6.348 30 10 IKEE CCNc1ccc(Br)cc(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)c1=O 8398030 LSXHQQBCFABOJC-BJMVGYQFSA-N 426.232 5.156 30 10 IKEE CCCCCSc1nc2n(n1)[C@H](c1cccc(Br)c1)C1=C(CCCC1=O)N2 9856528 ANEUSOATTOFUFB-GOSISDBHSA-N 447.402 5.345 30 10 IKEE Cc1cc(C)c(/N=C2\[C@H](N3CCCCC3)C3(CCCCC3)C(=O)N2c2ccccc2)c(C)c1 15729255 BYFFSGOEORCNAM-MMZFVREHSA-N 443.635 6.494 30 10 IKEE COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C(C)C)cc2)c1 21227130 KWEGIERBAXBWCR-PZGXJGMVSA-N 438.571 6.798 30 10 IKEE O=C1/C(=C/c2ccncc2)S/C(=N/c2nc(-c3ccccc3)cs2)N1C1CCCCC1 39866070 QVLPZFJWPXAYQW-AGEIGWASSA-N 446.601 6.142 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@H]1c1ccc(C(C)C)cc1 40085931 UGZNDINMIWIIFR-XMMPIXPASA-N 435.564 5.896 30 10 IKEE O=C1/C(=N/N(c2ccccc2)c2ccccc2)c2ccccc2N1C/C=C/c1ccccc1 59152201 SNSVMOINPWECOM-UOHORSNNSA-N 429.523 6.289 30 10 IKEE C=C(C)COc1cccc(NC(=O)CNc2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)c1 66109108 RMCASKXUTHAHTL-HXUWFJFHSA-N 443.547 5.183 30 10 IKEE CC(C)=CCOc1ccc2c(c1)O/C(=C/c1cc(Br)cc3c1OCOC3)C2=O 102720784 XCANVDHZGAROIG-AWQFTUOYSA-N 443.293 5.277 30 10 IKEE C=CCC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)[C@@H](C)CC 169678922 VGRZRQZVQQUTOX-GMAHTHKFSA-N 433.596 5.807 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2cc(C)cc(C)c2)cc1 169922470 LYFNXNOKLPJVDX-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CCN1C(=S)N[C@@H](c2ccc(OCc3c(Cl)cccc3Cl)cc2)C(C(C)=O)=C1C 169933408 ISINICRQIHHPLR-NRFANRHFSA-N 449.403 5.687 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccc(C(C)C)cc2)c1 169967594 DCCUONLTBWUSSD-XMMPIXPASA-N 445.946 6.555 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCC)cc1 169976089 HRXPRUQMTBHMAB-QFIPXVFZSA-N 441.955 5.897 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1cccs1)c1ccc(Cl)cc1 169985824 NYBRARLFYTXPBU-GOSISDBHSA-N 430.312 5.838 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccccc2)c1 170036285 BVTIQWPLJPDYML-DEOSSOPVSA-N 427.500 5.485 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)cc1C 170062784 VEMCRJUCUMYNEB-QFIPXVFZSA-N 435.882 5.879 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@@H]1c1cccnc1 170195859 PSSSOHBAKGBWEY-QHCPKHFHSA-N 436.552 5.372 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccncc2)c(C)c1 170205530 DNSPUYPERIIWNK-VWLOTQADSA-N 434.495 5.635 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccccc1)c1ccc2ccccc2c1 170223182 DQARSYFZQYMGJC-XMMPIXPASA-N 441.433 5.901 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccccc2)c1 170225417 QQMRCBOVQKACCK-VWLOTQADSA-N 441.527 5.874 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1ccc(Cl)cc1 170236534 XMEQQIBEMHDFKN-LJQANCHMSA-N 425.868 5.083 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(C4CCCC4)[C@H]3c3ccc(F)cc3)oc12 170244284 ZFVWJADCIQLKIC-NRFANRHFSA-N 435.451 5.101 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2F)c1 170253450 ZJWBDLJQJNBPAE-NRFANRHFSA-N 443.902 5.399 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cc(Cl)ccc3OC)=C(O)C(=O)N2C2CCCC2)cc1 170268452 YUKYCDPPSPOGHV-JOCHJYFZSA-N 439.939 5.432 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccccc1C 170270891 DGRMBKSPYBUCHJ-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cc4cc(Cl)ccc4o3)=C(O)C(=O)N2C2CCCC2)o1 170311025 QKTZKVDNEIDCLI-HXUWFJFHSA-N 425.868 5.509 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1cccc(F)c1 170313609 GLHKZQKQKGRCIR-SFHVURJKSA-N 427.884 5.632 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2sccc2C)ccc1Cl 170314781 XVULNPZGUPFCSO-LJQANCHMSA-N 439.920 5.501 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2c[nH]c3ccccc23)c1 170382638 QIUGQRWESYFHLK-JOCHJYFZSA-N 444.512 5.411 30 10 IKEE CCCCCCCCCCCCN1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S 208360100 KWISXPHFAVLWLV-OQKWZONESA-N 428.667 7.290 30 10 IKEE CN1/C(=C/C=Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)C(C)(C)c2ccccc21 245264280 CMHKVMMLGPQRCO-FCYZBMPDSA-N 443.550 7.499 30 10 IKEE Cc1ccc(N=C2S[C@@H](CC(=O)Nc3c(C)cccc3C)C(=O)N2Cc2ccco2)cc1 254296933 VLVDAZOIXWWVEG-NRFANRHFSA-N 447.560 5.365 30 10 IKEE CCCCCCCOc1ccc(C=NNC(=S)NCc2ccc(OCCC)cc2)cc1 254303611 KOTPUIPFXYWVOF-UHFFFAOYSA-N 441.641 5.823 30 10 IKEE COc1ccc(NN=C2Sc3nc(-c4ccccc4)c(-c4ccccc4)n3C2=O)cc1 254525633 VRUKLBRJXUUFHS-UHFFFAOYSA-N 426.501 5.397 30 10 IKEE Cc1onc(-c2ccccc2)c1C(=O)N1CCSC1=Nc1ccc(Cl)c(Cl)c1 254737970 BBKWAHJNNVAMPB-UHFFFAOYSA-N 432.332 5.834 30 10 IKEE CCOc1ccc([C@@H]2C(c3ccc(OC)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526486821 POIZTMLHEZWVBJ-XMMPIXPASA-N 426.472 5.023 30 10 IKEE CC(C)COc1ccc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526518491 YNEAEJGALLPGJE-HSZRJFAPSA-N 430.529 5.712 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3cccc4ccccc34)[C@H]2c2cccc(Cl)c2)c1 526520298 LNJJOARRDRSZJN-RUZDIDTESA-N 436.898 6.422 30 10 IKEE CCCOc1ccc(/C=N\n2c(CCC)nnc2SCc2cccc(C)c2)cc1OC 526807971 LJTQHBXEMIQIMC-XYGWBWBKSA-N 438.597 5.511 30 10 IKEE CCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1ccc(OCC)c(OCC)c1 526821923 AZMDPYKNMBCUQC-QQXSKIMKSA-N 449.580 5.074 30 10 IKEE CCCCOc1cccc(/C=N\n2c(CCC)nnc2SCc2ccc(C#N)cc2)c1 526822959 PQHDCFRIJLYKAF-ONUIUJJFSA-N 433.581 5.456 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2cc(Br)ccc2Cl)c1 698418198 LTOMRCIOZZAJJH-SFHVURJKSA-N 435.749 6.417 30 10 IKEE Cc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)cc1Br 698967141 QRIXLYDCKYXSEM-SFHVURJKSA-N 435.749 6.417 30 10 IKEE Cc1ccc(Br)c(F)c1C(=O)/C=C/c1ccc(NC(=O)OC(C)(C)C)cc1 721188913 DGDIERHLJWBHIJ-XYOKQWHBSA-N 434.305 6.140 30 10 IKEE C=CCC1([C@H](Cc2ccsc2Br)NCCC)CN(C(=O)OC(C)(C)C)C1 722920540 NOJFGNCOXRMCDO-INIZCTEOSA-N 443.451 5.235 30 10 IKEE Cc1cccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C(=Nc3ccccc3)S2)c1 725405262 RTRWIQBAYBPYLT-QFIPXVFZSA-N 429.545 5.156 30 10 IKEE C=CCn1c(Cc2ccccc2)nn(CN2CCC(Oc3ccc(C)cc3)CC2)c1=S 735071048 FSZGKFUYLFZBMS-UHFFFAOYSA-N 434.609 5.000 30 10 IKEE CCc1cccc(C)c1-n1c(C)cc(C=NNS(=O)(=O)c2ccc3ccccc3c2)c1C 1084111500 APRXDNBKKOSTAH-UHFFFAOYSA-N 445.588 5.431 30 10 IKEE Cc1ccc(N=C2C(=O)N(CN(C3CCCCC3)C3CCCCC3)c3ccccc32)cc1 1084514045 AWQBGDBDEMMJIM-UHFFFAOYSA-N 429.608 6.387 30 10 IKEE O=C(O)c1ccccc1N=Cc1ccccc1OC(=O)c1sc2ccccc2c1Cl 1084654639 QGXHYRSDECGJQW-UHFFFAOYSA-N 435.888 6.223 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2cccc(CC#N)c2)cc1Br 1197583360 KNZXMOBQDGQDQW-UHFFFAOYSA-N 430.302 5.114 30 10 IKEE CCc1ccc2onc(CC(=O)Nc3oc(-c4ccccc4)c(-c4ccccc4)c3C#N)c2c1 1859650584 XICSGAPBFFYIPR-UHFFFAOYSA-N 447.494 6.370 30 10 IKEE CCCCCCCOc1cccc(NC(=O)c2cc(OCC)c(OCC)c(OCC)c2)c1 1860110403 BEANZQLHMISAGP-UHFFFAOYSA-N 443.584 6.484 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] 1861825674 HYGZAPHVOSPZQM-IBGZPJMESA-N 437.968 5.110 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(C(C)C)cc2)n(Cc2cc(C)ccc2C)n1 1862371744 KMALTRKLOXGFTO-UHFFFAOYSA-N 427.592 6.153 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1c(F)cccc1Cl 1862404512 COZUROSLMGFRNX-RBZFPXEDSA-N 431.891 5.173 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc3cc[nH]c3c2)cc1C 1862406826 ARKUJGLZUHEOTQ-XMMPIXPASA-N 444.531 5.396 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(C(C)C)cc1 1862433062 UFONRADKWDUFQF-JOCHJYFZSA-N 441.955 5.467 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862445606 ZPOUSUZFMSJJKP-QMHKHESXSA-N 447.918 5.688 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccc(O)c(O)c2)c1 1862488889 KKABEQPKFJLLFB-XMMPIXPASA-N 449.547 5.406 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccccc2C)cc1 1862506984 CQWGYLFKUUMPFX-RUZDIDTESA-N 443.518 5.572 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@@H]2c2cc(Cl)cc(Cl)c2)cc1 1862521847 RPXDSNJKWBBZDU-LJQANCHMSA-N 434.319 5.380 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(O)c2)=C(O)C(=O)N1CCCCc1ccccc1 1862589525 MVCYVSGEZFQLRG-VWLOTQADSA-N 441.527 5.302 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(C(C)(C)C)cc2)=C(O)C(=O)N1Cc1ccncc1 1862613189 FISHPMGAYLKJKV-XMMPIXPASA-N 440.543 5.466 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccccc1[N+](=O)[O-] 1862619509 XAAFKFXRWNRHEY-OAQYLSRUSA-N 436.508 5.271 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc([N+](=O)[O-])c1 1862654196 KDRPRCNZTBBUQN-JOCHJYFZSA-N 430.460 5.126 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CC)cc1 1862657818 JYQUQJVVLQJRPU-DEOSSOPVSA-N 429.516 5.617 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862659646 BYUODMDLMLVWKM-FNZWTVRRSA-N 439.555 6.458 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1 1862664501 KJZJJSJHPVRNOA-VWLOTQADSA-N 448.607 5.463 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cc(Br)ccc1F 1862671445 PIDDAMKUEYDKNS-IBGZPJMESA-N 446.316 5.310 30 10 IKEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2F)cc1 1862673456 LSRQUWKRCXPIFG-IQMFZBJNSA-N 449.453 5.313 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862680812 KXDIZTINRVZVBZ-IBGZPJMESA-N 446.862 5.012 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2ccc(C)cc2)c1 1862698972 PIAIUJYQTLTAFM-RUZDIDTESA-N 441.527 5.215 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2ccc(C)cc2)c1 1862698973 PIAIUJYQTLTAFM-VWLOTQADSA-N 441.527 5.215 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1cccc(C)c1 1862699186 RPWLDDRAPKDDQU-QPPBQGQZSA-N 435.564 5.941 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2cccc(Cl)c2)c1 1862701117 WNEKKJHXDUUMCF-QFIPXVFZSA-N 439.939 5.650 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2C2CC2)c1 1862727263 ZRRINPBLRPJAHM-VWLOTQADSA-N 439.511 5.493 30 10 IKEE Cc1cccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(OC(C)C)cc3)C2=O)c1 1862985016 SCHBEUAGGBEVIN-UHFFFAOYSA-N 437.499 5.051 30 10 IKEE C=CCN(CC=C)c1cc(N2CCN(c3ccccc3)CC2)nc(-c2ccc(Cl)cc2)n1 1867982268 MAXBAZCNYBNRDW-UHFFFAOYSA-N 445.998 5.302 30 10 IKEE Cc1ccc(-c2nc(Nc3ccc(C#N)cc3)cc(N3CCO[C@@H](c4ccccc4)C3)n2)cc1 1868329678 GGXHUMJPDUPMNW-RUZDIDTESA-N 447.542 5.645 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3c([nH]c4ccccc34)[C@@H]2C2CCCCC2)nc(C)n1 1869296671 QLHOWBVEJNPMQW-NDEPHWFRSA-N 441.623 6.129 30 10 IKEE C=CCOc1cn(CCCN(CC)CC)c(CSc2nc3ccccc3s2)cc1=O 1870246242 UWLIIWSNJJHRCV-UHFFFAOYSA-N 443.638 5.047 30 10 IKEE C=CCOc1cn(Cc2ccccc2F)c(CNc2ccc(OCCCC)cc2)cc1=O 1870813664 VUQPHXVOZIFDGK-UHFFFAOYSA-N 436.527 5.392 30 10 IKEE CCCCCCCOc1cn(C[C@H]2CCCO2)c(CNc2ccc(C)cc2C)cc1=O 1870833164 AQWFTZPPNIUDHS-HSZRJFAPSA-N 426.601 5.605 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCC(C)C)c(=O)cc1CNc1ccccc1 1870847916 JLZGGRQJPUFFGD-UHFFFAOYSA-N 442.600 5.399 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccccc1F)O3)CN(C13CC4CC(CC(C4)C1)C3)CO2 1871353524 SXMKADSPJABMFH-VROXFSQNSA-N 445.534 5.871 30 10 IKEE CCCCCCCCCCN1COc2c(cc3c(c2C)O/C(=C\c2ccncc2)C3=O)C1 1871354989 LWKMXRHYIPZVML-JLPGSUDCSA-N 434.580 6.299 30 10 IKEE Cc1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2c(F)cccc2Cl)C3=O)cc1 1871366552 GFIHVJKERPONEM-RBDDCPLMSA-N 448.877 6.331 30 10 IKEE O=C(CCc1cccs1)Oc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O 1871391642 BSYWFGLIEOVDBZ-NDENLUEZSA-N 445.323 6.209 30 10 IKEE Cc1cc(O)c(CN2C[C@H](C)O[C@@H](C)C2)c2c1C(=O)/C(=C/c1ccc(Cl)cc1Cl)O2 1871395561 WNARYTFGPLYYBP-KPECFBGZSA-N 448.346 5.233 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCc4cc(C)c(C)cc4C)cc(C)c3C2=O)c1OC 1871417095 BGRZBNHHKMQJSE-MXAYSNPKSA-N 444.527 6.133 30 10 IKEE CC(C)=C1Oc2c(ccc(OCC(=O)Nc3c(Cl)cc(Cl)cc3Cl)c2C)C1=O 1871420656 IACYQIPPJZIZMG-UHFFFAOYSA-N 440.710 5.842 30 10 IKEE Cc1cccc(C(C)C)c1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccco1)C2=O 1871422700 ZHEQAHWLNLLUFR-UUYOSTAYSA-N 431.488 5.654 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 1871432221 YVLORWMJNVCHIF-JVYQWJHKSA-N 439.511 5.882 30 10 IKEE Cc1cc(OCc2cccc3ccccc23)cc2c1C(=O)/C(=C/c1c(F)cccc1Cl)O2 1871435136 ZVDXWOBPWYPCJT-QFEZKATASA-N 444.889 7.136 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3C2=O)o1 1871443203 UJODOAXESPMIMX-JAIQZWGSSA-N 443.377 5.241 30 10 IKEE COc1ccc(CCOc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2Cl)C3=O)cc1 1871447708 CSTWRXYHQVQCRA-FMCGGJTJSA-N 441.310 6.240 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccccc1C(C)C)[C@H](C)CC)S(=O)(=O)c1cccs1 1872462754 ZQXSWPJZJVRWIX-DYESRHJHSA-N 434.627 5.102 30 10 IKEE Cc1ccc(C)c(OCC(=O)[C@@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)c1C 1872760187 IVFDFUWTIWTWCM-JOCHJYFZSA-N 426.541 6.144 30 10 IKEE N#C[C@H](C(=O)c1c(F)cccc1Cl)c1nc(-c2ccc(Br)cc2)cs1 1872764186 GEDNTWUUFLBPNK-GFCCVEGCSA-N 435.705 5.855 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4nc(C)c(C)nc4c3)n2)cc1C 1872765438 OWIHTEUFXSUZDA-SFHVURJKSA-N 428.517 5.177 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(Cl)ccc3Cl)n2)cc1 1872765897 ZCUVTBQGGYKUCX-SFHVURJKSA-N 429.372 6.950 30 10 IKEE N#C[C@@H](C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872768844 DDICUFVBDYUOAE-GZTQLTBSSA-N 444.299 5.915 30 10 IKEE COc1c(Cl)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)COc2ccccc2)n1 1872778773 UAHWSLKBPYTDRO-HNNXBMFYSA-N 433.316 5.381 30 10 IKEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1C 1872783286 VXKFYHCCZCGZTE-PBHICJAKSA-N 445.371 6.378 30 10 IKEE CCCc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)cc1 1872785691 TUIQRLHJTZNCMU-SFHVURJKSA-N 440.952 5.680 30 10 IKEE N#C[C@@H](C(=O)/C=C/c1ccc(Cl)cc1Cl)c1nc(-c2ccc(Cl)s2)cs1 1872789287 DFPCAPGGEGNXIE-KMOQFTEPSA-N 439.776 6.721 30 10 IKEE CCCCCCCCCCNC1=C(c2cc(F)c(F)cc2F)C(=O)N(CCCC)C1=O 1873062881 WOBFEXRNMAWFPA-UHFFFAOYSA-N 438.534 5.714 30 10 IKEE CCOc1cc(/C=N/n2c(S)nnc2CC(C)C)ccc1OCc1ccccc1Cl 1873502881 XNIFMNLRLFTZJH-ZMOGYAJESA-N 444.988 5.279 30 10 IKEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)cc2c(N(CCC)CCCC)ncnc21 1873594776 BHLWVIBQGNGKCR-UHFFFAOYSA-N 439.991 5.217 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(CC)cc2)cc2c(NCCc3ccc(F)cc3)ncnc21 1873615690 CXWOVHDFGQRBKB-UHFFFAOYSA-N 443.526 5.226 30 10 IKEE CCSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1cccc2ccccc12 1874252572 PIGWVKDQNAPKPN-NLRVBDNBSA-N 430.577 5.746 30 10 IKEE C=CCSc1nnc(COc2ccccc2Cl)n1/N=C/c1cc(Cl)ccc1O 1874267749 NETKPMRLSSOBCS-SSDVNMTOSA-N 435.336 5.030 30 10 IKEE C=C(C)CSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1cccc(OC)c1 1874269897 VDPVOIVFKYLDQY-WGOQTCKBSA-N 428.561 5.581 30 10 IKEE C=C(C)CSc1nnc(COc2cccc(C)c2C)n1/N=C/c1cccc(Cl)c1 1874323502 SBBOTCQRDLOCNW-WYMPLXKRSA-N 426.973 5.678 30 10 IKEE Fc1ccc(Cc2nnc(SCc3ccccc3Cl)n2/N=C/c2ccncc2)cc1 1874380130 YGMYZYUZHYMMGM-VULFUBBASA-N 437.931 5.231 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2-c2ccccc2)cc1 1874425708 WHLWEHYBSPBFIG-YZSQISJMSA-N 428.561 5.827 30 10 IKEE CC(C)(C)Cc1nnc(SCCc2ccccc2)n1/N=C/c1ccc(Cl)cc1Cl 1874439598 JTZPPBIUBNYNGE-MFKUBSTISA-N 447.435 6.391 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2cccc(F)c2)nnc1C1CCCC1 1874454888 ZVDKHMLFSKSCOH-WGOQTCKBSA-N 436.556 5.814 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCCC3)n2/N=C/c2ccccc2[N+](=O)[O-])c1 1874456046 YAUJLCIVQBVZQB-ZVHZXABRSA-N 435.553 5.635 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1/N=C/c1ccc(C)cc1 1874475168 MQHOLPXVXPYXIS-MFKUBSTISA-N 435.597 5.159 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1cccc(F)c1 1874480291 QFXJEIGPCQKLHQ-WYMPLXKRSA-N 437.371 6.241 30 10 IKEE C=C(C)CSc1nnc(C(C)(C)C)n1/N=C/c1ccc(OCCCC)c(OCC)c1 1874481553 BFEULALPGOQRLN-BUVRLJJBSA-N 430.618 5.704 30 10 IKEE CCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccccc1OC(C)C 1874506749 SHJPHKITVTWPMA-OEAKJJBVSA-N 439.541 5.101 30 10 IKEE Cc1cccc(C)c1OCCCc1nnc(S)n1/N=C/c1ccc(Cl)cc1Cl 1874568412 XOTJCAPTKDEBDZ-FSJBWODESA-N 435.380 5.384 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc1OCc1ccccc1 1874598411 LEFWUUTXIXPLRC-ACCUITESSA-N 430.544 6.611 30 10 IKEE O=C(/C=C/c1ccc(OCCCO)c(Br)c1)c1ccc(-c2ccccc2)cc1 1874601244 ALGYMIZJUMDLEC-NTUHNPAUSA-N 437.333 5.773 30 10 IKEE O=C(/C=C/c1ccc(OCCc2ccccc2)c(Cl)c1)c1ccc(-c2ccccc2)cc1 1874601327 DXLXMIZPCQHQTN-GZTJUZNOSA-N 438.954 7.525 30 10 IKEE C=CCOc1c(Br)cc(/C=C/C(=O)c2ccc(CCCC)cc2)cc1OCC 1874607605 VZRMITVMYZAERM-SDNWHVSQSA-N 443.381 6.651 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1ccc(F)cc1F 1874611234 CXHADDPBQRDSNI-YCRREMRBSA-N 429.806 6.002 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1 1874615710 MMZVGFOYNLSGII-XYOKQWHBSA-N 427.327 6.867 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OCc1ccc(Cl)c(Cl)c1 1874620016 DUMZXTVJFATJFD-RUDMXATFSA-N 445.317 6.925 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc1 1874634441 BSCCJCHADWZSQJ-FMIVXFBMSA-N 443.971 5.581 30 10 IKEE C[C@H](Oc1ccc(Cl)cc1)C(=O)Oc1cccc(/C=C/C(=O)c2cccc(Cl)c2)c1 1874699519 ZBJIKHMXPOAERC-OIQJVACTSA-N 441.310 6.262 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1OC(=O)Cc1ccc(F)cc1 1874705883 FGJLTKXUIAQTKM-VIZOYTHASA-N 446.518 6.176 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1OC(=O)c1sccc1C 1874711178 SSOJCHSTKNOOMA-VQHVLOKHSA-N 434.557 6.414 30 10 IKEE COc1cccc(C(=O)Oc2cccc(/C=C/C(=O)c3cc(Cl)ccc3Cl)c2)c1 1874718996 VKSMDVKAEJRDJV-DHZHZOJOSA-N 427.283 6.117 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4ccccc4c3)cc2Cl)c1 1875096399 MIKWAQSNYVUIJN-YRNVUSSQSA-N 440.926 7.225 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3cccc(C)c3)c(OC)c2)cc1 1875100286 XOHSEQJAEWRDFL-SDNWHVSQSA-N 430.500 5.690 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc(Cl)c1OC(=O)C(F)(F)F 1875108438 PGUWLQMJUSISMT-FNORWQNLSA-N 442.817 5.420 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC(=O)c1ccc(F)c(F)c1 1875122852 YRGWLMYGAUSCQG-KRXBUXKQSA-N 430.353 5.367 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(Cl)c1OC(=O)CC(C)(C)C 1875153676 SJTMIPIIYJNCTD-OUKQBFOZSA-N 436.935 6.740 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2c(F)cccc2Cl)c(Cl)c1)c1ccc(F)cc1 1875158202 KOMLANPLWAYVJU-ONNFQVAWSA-N 433.237 6.387 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc(F)c(F)c1 1875161749 GBOCAULECMFMSJ-XCVCLJGOSA-N 433.237 6.387 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(F)c3)cc2OC)cc1 1875163403 JSLTWWRHQNELDY-UUILKARUSA-N 438.426 5.487 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2ccc(OC(=O)C3CCCC3)c(OC)c2)cc1Cl 1875175732 DDNNTSZYMOCXKB-CSKARUKUSA-N 444.911 5.358 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)c1ccccc1 1875176937 RSRQNLZDLCGNTI-FYWRMAATSA-N 426.512 6.156 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3sccc3C)c([N+](=O)[O-])c2)c(C)c1 1875183275 SIPSKAZKLVLXGV-FNORWQNLSA-N 435.501 6.005 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N(CCC)CCCC)n2CC 1875201671 VSRUIBJZJWHNED-UHFFFAOYSA-N 443.680 6.656 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C(C)(C)C1 1880303981 NWGHRPAOVKBCCT-VWLOTQADSA-N 443.588 5.353 30 10 IKEE COc1ccc(NC(=O)c2cc3ccccc3c3cc(Br)ccc23)cc1C#N 1891173966 VRANBALTGIQYMF-UHFFFAOYSA-N 431.289 5.888 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)c(F)c1 1895029833 OGVHSFJYRQQAKN-QZTJIDSGSA-N 429.374 5.488 30 10 IKEE C=C[C@]1(Oc2ncc(Br)c3ccsc23)CCCN(C(=O)OC(C)(C)C)C1 1903472134 RAZZCOSRCLSNLW-IBGZPJMESA-N 439.375 5.393 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1ccc(NC(=O)OC(C)(C)C)c(Cl)c1 1922077294 MHFCKTHZNVMDGB-HSZRJFAPSA-N 445.003 6.501 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@@H]1Nc1ccc(Br)cc1C#N 1924915301 RIEQYOWJESDVPY-RDTXWAMCSA-N 434.378 5.206 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CN(C(=O)OC(C)(C)C)[C@@H]2CCC[C@H]21 1926544194 ZUDULGCZQQQAMZ-RQBNJVACSA-N 441.572 5.418 30 10 IKEE CCC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(C)c1 1945774755 WROCWUZUIVUKTE-AZUAARDMSA-N 431.577 5.570 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1991920115 UKLWVRHBZFVEBX-ZWKOTPCHSA-N 435.952 5.373 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 1999948603 ZZNLUKIJYIXFRJ-WAIKUNEKSA-N 433.524 5.106 30 10 IKEE C=CCCCCCC[C@H](CCCN(Cc1ccccc1)C(=O)OC(C)(C)C)NCCC 2026003698 QTOSCXXYKBUKFX-RUZDIDTESA-N 430.677 7.099 30 10 IKEE Cc1cc(Br)c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)s1 2029268803 XQIUICIGUXFGIX-OAHLLOKOSA-N 441.778 6.479 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2031501254 ZOAYWRORZDYYCQ-CYFREDJKSA-N 447.551 5.687 30 10 IKEE C=CCOc1ccc(C=C(Cl)c2nnc(C(=O)NCc3ccc(C)cc3)s2)cc1 2040498339 HXXFQLGKLAWEKU-UHFFFAOYSA-N 425.941 5.078 30 10 IKEE C#CCCCC[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCC 2053262502 WKZFGNFANXTMSC-XMMPIXPASA-N 441.660 5.108 30 10 IKEE Cc1ccc([C@@H](C2CCC2)n2nc(C3CC3)c(C#N)c2I)cc1C 2079112496 VCOVJINWOBFFSC-LJQANCHMSA-N 431.321 5.243 30 10 IKEE Cc1ccc([C@@H](n2nc(C3CC3)c(/C=N/O)c2I)C2(C)CC2)cc1C 2079126411 XHMRIOBDWACXLI-NMONLQQWSA-N 449.336 5.180 30 10 IKEE COc1ccc([C@@H](n2nc(C3CCC3)c(C=NO)c2Br)C(C)(C)C)cc1O 2079935063 NPEGVKPLKKLOFV-GOSISDBHSA-N 436.350 5.071 30 10 IKEE CC[C@@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)(F)F)c(C#N)c1Br 2080056327 RUESHVPKCAEQFG-NSHDSACASA-N 444.148 5.693 30 10 IKEE C=C(C)CN(Cc1ccccc1)c1c(CNCC(C)C)ccc(Br)c1Cl 2098117358 NPNFGRCSCNPINI-UHFFFAOYSA-N 435.837 6.431 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)C1(C#N)[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2 2111463155 OWCUMYKAQIFSSU-VXKWHMMOSA-N 449.570 5.762 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CC[C@H](Nc3ccc(Br)c(C#N)c3)C2)CC1 2155287253 WUYQRNKHPFTKMR-KRWDZBQOSA-N 434.378 5.302 30 10 IKEE CCN(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1cc(Br)cc(F)c1C#N 2174815609 VJTNUUJDKWDYOQ-HNNXBMFYSA-N 440.357 5.076 30 10 IKEE Cc1sc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)c(Br)c1C 2229239433 PZHXYGKHIFLPTI-OAHLLOKOSA-N 439.350 6.273 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)CN(C(=O)OC(C)(C)C)[C@H](C)CC 2235721133 APUAHJMNQXCKBE-IEBWSBKVSA-N 437.422 5.204 30 10 IKEE C=CCCCC[C@H](NCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237407464 QQQWXGQOOYZDJS-VQTJNVASSA-N 439.438 5.609 30 10 IKEE CN[C@H](C#Cc1ccccc1Cl)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2245951040 RCGQMHXNMQSOSA-QFIPXVFZSA-N 426.988 5.497 30 10 IKEE C#CCCCC[C@@H](NCCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248486159 INVFAMJAYSPBBK-HSZRJFAPSA-N 428.617 5.002 30 10 IKEE O=C(C#Cc1ccccc1F)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2266602718 ARXRDPQHAJDXPV-UHFFFAOYSA-N 436.482 6.218 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(Br)cc2C#N)C[C@H]1C(F)(F)F 2279311412 SEYHIAQFWGPLDQ-ZFWWWQNUSA-N 448.283 5.063 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)CC[C@@H](C)CNC(=O)OC(C)(C)C 2296310379 JAVMVRBMMCPAOJ-XLIONFOSSA-N 437.422 5.110 30 10 IKEE Nc1c(C(=O)Nc2ccc(C(=O)C=Cc3cccs3)cc2)sc2nc3c(cc12)CCC3 2297557186 IEYJIIYRBMYVIE-UHFFFAOYSA-N 445.569 5.577 30 10 IKEE COc1ccc(CN=C(C)c2c(C(F)(F)F)nn(-c3nc4ccccc4s3)c2O)cc1 2297741573 LRTNLTFTYFUQPS-UHFFFAOYSA-N 446.454 5.224 30 10 IKEE CC(C)(C)OC(=O)NC1([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)CCCC1 2302429763 YNXHKABSGDUNJW-SFHVURJKSA-N 449.979 5.811 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2304187745 UKHGUNCYSLQMNJ-OALUTQOASA-N 433.593 5.238 30 10 IKEE CN1C(=O)C(=Cc2ccccc2OCc2ccccc2Cl)SC1=Nc1ccccn1 2314540983 CINWCPFYPPYXLA-UHFFFAOYSA-N 435.936 5.548 30 10 IKEE CCCCCCCCCCCCN1C(=O)C(=Cc2c[nH]c3ccccc23)SC1=S 2314656346 KWISXPHFAVLWLV-UHFFFAOYSA-N 428.667 7.290 30 10 IKEE Cc1ccc(CN2COc3cc(C)c4c(c3C2)OC(=Cc2ccc(Cl)cc2)C4=O)cc1 2321958721 QCBBSARROXQFMR-UHFFFAOYSA-N 431.919 5.925 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(F)cc2F)c1OCc1ccc(Cl)cc1Cl 2322502166 FXVNLJRCMLKFKP-UHFFFAOYSA-N 449.280 6.755 30 10 IKEE CN(C)c1ccc(C=C2Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc3C2=O)cc1 2322890000 GWPVHTQIWPQZGZ-UHFFFAOYSA-N 433.891 5.170 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2C=CC(=O)c2ccc(C)c(C)c2)c1 2322900911 VJBIRPMWMXPLES-UHFFFAOYSA-N 447.962 6.487 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OC)c1OCc1ccc(F)cc1 2323028676 UTPKUHYFEJOIEX-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE Cc1c(OC(=O)Cc2cccc3ccccc23)ccc2c1OC(=CC=Cc1ccccc1)C2=O 2323400655 IMNSYAWRQMQVHR-UHFFFAOYSA-N 446.502 6.469 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)C(Cl)=Cc4ccccc4)cc(C)c3C2=O)c1 2323441319 AGLLPDJTBNJDAI-UHFFFAOYSA-N 430.887 6.105 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc(OCC(C)C)cc4)c3C)C2=O)cc1 2323640998 NDQOESYYSJIMNM-UHFFFAOYSA-N 442.511 6.174 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 2323675910 ZEOSWIMVHRDPIP-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE O=C1C(=Cc2ccccc2Br)Oc2c1ccc(O)c2CN1CCCCCC1 2324069667 AFELJJOHHHSETB-UHFFFAOYSA-N 428.326 5.147 30 10 IKEE Cc1cc(O)c(CN2CCCCCC2)c2c1C(=O)C(=Cc1ccccc1Br)O2 2324069968 YQBIXFUWDRJPCN-UHFFFAOYSA-N 442.353 5.455 30 10 IKEE Cc1cc(O[C@H](C)C(=O)OC(C)C)cc2c1C(=O)C(=Cc1c(Cl)cccc1Cl)O2 2324305652 WEBQJGFABGGJJX-CYBMUJFWSA-N 435.303 5.637 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccc(C)c(Cl)c4)ccc3C2=O)cc1 2324352152 NSBDVHZEVIKXKZ-KRWDZBQOSA-N 447.918 5.979 30 10 IKEE Cc1cccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4cc(Cl)ccc4C)ccc3C2=O)c1 2324510594 YLWJRFNCFJPESL-KRWDZBQOSA-N 447.918 5.979 30 10 IKEE COc1cc(C=CC(=O)[C@H](C#N)c2nc(-c3cc(C)ccc3C)cs2)cc(OC)c1OC 2324561067 KVBABOVCMHZTKM-IBGZPJMESA-N 448.544 5.342 30 10 IKEE Cc1c(OCCCCOc2ccccc2)ccc2c1OC(=Cc1ccc3c(c1)OCO3)C2=O 2324581233 GKQOAUZTFRTLTJ-UHFFFAOYSA-N 444.483 5.578 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccc(Cl)cc4)ccc3C2=O)cc1 2324610109 QOUZEMAPAXSGIE-INIZCTEOSA-N 433.891 5.671 30 10 IKEE COC(=O)c1ccc(COc2ccc3c(c2C)OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)o1 2325382781 VYCDALNAGAKLKO-UHFFFAOYSA-N 446.499 5.867 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3)n2N=Cc2cccc([N+](=O)[O-])c2)c1 2325471402 QJNHGHLUFSIXBW-UHFFFAOYSA-N 443.532 5.260 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1cccs1)C2=O)Nc1ccc(Cl)cc1F 2325489922 GDWPGSJREOMDIG-UHFFFAOYSA-N 429.856 5.174 30 10 IKEE CCCCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1sccc1C 2325530360 LWACIJGKNNHGMC-UHFFFAOYSA-N 439.437 6.472 30 10 IKEE COc1cccc(C=CC(=O)C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1 2325552743 RJINQHUDKDIIJA-UHFFFAOYSA-N 428.513 5.501 30 10 IKEE CCOc1ccc(C=Nn2c(CC)nnc2SCc2c(F)cccc2Cl)cc1OC 2325610658 NTHZSDPQVFMCDC-UHFFFAOYSA-N 448.951 5.215 30 10 IKEE CCOc1ccc(C=Nn2c(C)nnc2SCc2c(F)cccc2Cl)cc1OCC 2325645681 SRMOSUQOUIXCQW-UHFFFAOYSA-N 448.951 5.351 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2cc(Br)c(O)c(OCC)c2)c1 2325796600 DMYRSNPNPGIPSI-UHFFFAOYSA-N 435.314 5.247 30 10 IKEE CCSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1ccc(F)cc1F 2326380065 UMFJGXYZAWYNPE-UHFFFAOYSA-N 430.524 5.179 30 10 IKEE CCn1c(C)c(C=Nn2c(C)nnc2SCc2cccc3ccccc23)c2ccccc21 2326637410 RSHXAQSCRCZBJN-UHFFFAOYSA-N 439.588 6.197 30 10 IKEE CSc1nnc(CCc2ccccc2Cl)n1N=Cc1c(Cl)cccc1Cl 2327915551 NTYHSJDMGXSMNZ-UHFFFAOYSA-N 425.772 5.628 30 10 IKEE O=[N+]([O-])c1ccccc1Cc1nnc(SCCc2ccccc2)n1N=Cc1cccs1 2328497262 ZJQIQLPZYIAMPQ-UHFFFAOYSA-N 449.561 5.056 30 10 IKEE C=CCOc1ccccc1C=Nn1c(COc2c(C)cccc2C)nnc1SCC=C 2328559397 RXFHNCGWERMTBO-UHFFFAOYSA-N 434.565 5.199 30 10 IKEE CCSc1nnc(CCCOc2ccccc2)n1N=Cc1ccc(N(CC)CC)cc1 2328729910 IZSKYCSIJCGSOM-UHFFFAOYSA-N 437.613 5.130 30 10 IKEE Fc1ccccc1CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccco1 2329102190 KQLFRKZRDWOEPJ-UHFFFAOYSA-N 426.904 5.429 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3Cl)n2N=Cc2ccc[nH]2)cc1 2329278236 XFZPQVUJRPBGDM-UHFFFAOYSA-N 437.956 5.034 30 10 IKEE COc1ccc(C=Nn2c(CCc3cccs3)nnc2SCc2ccccc2)cc1 2329662354 DEOWUSHYHVBWEQ-UHFFFAOYSA-N 434.590 5.308 30 10 IKEE Fc1ccc(C=Nn2c(CCc3cccs3)nnc2SCc2ccccc2F)cc1 2329665349 JUVUKFHKVUVBFL-UHFFFAOYSA-N 440.544 5.578 30 10 IKEE Cc1ccccc1CSc1nnc(COc2ccccc2)n1N=Cc1ccc(O)cc1 2329882292 ZRCWIVRVJNXJAY-UHFFFAOYSA-N 430.533 5.046 30 10 IKEE COc1cccc(C=Nn2c(Cc3ccc(C)cc3)nnc2SCc2ccc(F)cc2)c1 2329942975 RRMVRWICEOOGGB-UHFFFAOYSA-N 446.551 5.500 30 10 IKEE Fc1ccc(CSc2nnc(CC3CCCCC3)n2N=Cc2cccc(F)c2)cc1 2330232960 PXBQGDOVJORDJQ-UHFFFAOYSA-N 426.536 5.854 30 10 IKEE COc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1cccc(C)c1 2330615438 PKGMDZNIDLLOKE-UHFFFAOYSA-N 448.518 6.786 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)C=Cc1cccc([N+](=O)[O-])c1 2330618956 OVIHNWZKVVENCA-XMMPIXPASA-N 431.577 5.150 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(OC)c1OC(=O)c1ccncc1 2330658599 AAZLNLXWTJDGCL-UHFFFAOYSA-N 439.467 5.367 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2cccc(C)c2)o1 2330668025 RTWGUQSILNRLTJ-UHFFFAOYSA-N 446.532 5.198 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(-c2ccccc2)n1N=Cc1ccccc1 2330681488 ZGOKPBWZVQPBNN-UHFFFAOYSA-N 439.371 6.426 30 10 IKEE Cc1cccc(CSc2nnc(CC(C)(C)C)n2N=Cc2ccccc2OC(C)C)c1 2330822192 BHYRFNXLICNJOF-UHFFFAOYSA-N 436.625 6.137 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(F)cc1F 2330865801 OAKXWHIGJBREGQ-UHFFFAOYSA-N 434.943 5.973 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@H]2CCCO2)c(Br)c1)c1ccccc1Cl 2330929378 FIKKGLRYQLBTMF-LJQANCHMSA-N 435.701 5.083 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)c1cccnc1 2331129247 OLSHFLCZFHWWSB-UHFFFAOYSA-N 442.298 5.902 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(C=CC(=O)c3ccc(OCC)cc3)cc2)CC1 2331189348 IZCWRTWJHGVAFE-UHFFFAOYSA-N 434.576 6.883 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC(=O)C1CC1 2331250723 YHIJPZGCHYUYTL-UHFFFAOYSA-N 431.315 5.942 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)CC(C)C)c(Br)c1 2331360293 SUAMVVIJCMYFFK-UHFFFAOYSA-N 431.326 5.614 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)cc([N+](=O)[O-])c1OC(=O)C(C)(C)C 2331364403 BNCVBOYOSBRWBU-UHFFFAOYSA-N 441.480 5.158 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(OC)ccc2OC)cc(OC)c1OC(=O)C(C)(C)C 2331393270 ZNQSFYLKKRCXEI-UHFFFAOYSA-N 438.520 5.289 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(C(=O)O)cc1 2331402469 FQLJTCJQDKQQCZ-UHFFFAOYSA-N 444.560 5.602 30 10 IKEE CCOc1ccc(C=Nn2c(SCCc3ccccc3)nnc2C2CCC2)cc1OC 2331530135 CQVMSTKTRXOGTA-UHFFFAOYSA-N 436.581 5.170 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)c1cccc(F)c1 2331539650 BTQBOLDBGDEBJW-UHFFFAOYSA-N 434.438 5.817 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)CCc2ccccc2)cc1 2331546489 XAMZJSMWIYRNMJ-UHFFFAOYSA-N 442.555 6.427 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)c1ccccn1 2331554754 LLGHXTMFNNZHCQ-UHFFFAOYSA-N 429.806 5.137 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)C3CCCC3)c(OC)c2)c(C)c1C 2331613043 MWOVWKVIENHRMQ-UHFFFAOYSA-N 438.520 5.321 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCSC)c(Cl)c2)c(C)c1C 2331613313 ALXREJAKVFDEMX-UHFFFAOYSA-N 432.969 5.910 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)cc(Cl)c1OC(=O)CCOC 2331618475 PAJKMOPGFUXBML-UHFFFAOYSA-N 446.927 5.202 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)Cc1ccc(C)cc1 2331779938 FOSXUMGSJMLOLV-UHFFFAOYSA-N 428.528 5.973 30 10 IKEE CC1(C)OB(c2cc(N(Cc3ccccc3)CC3CCC3)nc(C(F)(F)F)c2)OC1(C)C 2339599925 JKGZLZMYNQIHLU-UHFFFAOYSA-N 446.322 5.206 30 10 IKEE CCCCCCC[C@](C)(O)Cc1ccc(I)c(Br)c1 2349799601 UWKCDBHWZWNXPW-INIZCTEOSA-N 439.175 5.708 30 10 IKEE COc1ccc([C@H]2[C@H](C(=O)c3ccc(F)cc3)N3C=Cc4ccccc4[C@H]3C2(C#N)C#N)cc1 20249657 MIJQLPWJXHFOTP-WEWMWRJBSA-N 449.485 5.244 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(Cl)c2Cl)cc1 21237278 XFURBEXVWRSTSX-CRAIPNDOSA-N 444.358 5.787 30 10 IKEE CCCn1cc(CN/C(=N/C(=O)c2ccc(C(C)(C)C)cc2)Nc2ccc(C)cc2)c(C)n1 32972884 ZOJIBJHRIWHWTC-UHFFFAOYSA-N 445.611 5.606 30 10 IKEE O=C(Oc1ccc(Br)cc1C(=O)/C=C\c1ccccc1Cl)c1ccco1 33442287 YRDUOAPDUSVMOY-CLFYSBASSA-N 431.669 5.811 30 10 IKEE Cc1ccc(/N=C2/NC(=O)S/C2=C\c2ccc(-c3c(Cl)cccc3Cl)o2)cc1C 33568357 ZUIVDOIOOFFSNU-ODLFYWEKSA-N 443.355 7.398 30 10 IKEE O=C(/C=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)cc1 34955615 HYKZSQBNLOEBCP-KNTRCKAVSA-N 449.462 6.377 30 10 IKEE O=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cccc(NC(=O)c2cccs2)c1 39850961 JUIKEFVNGPLHAF-PKNBQFBNSA-N 444.468 6.065 30 10 IKEE Cc1c(OCC(=O)OC(C)C)ccc2c1O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 41502476 ONBUVFDTFLCXNH-IWIPYMOSSA-N 428.484 5.609 30 10 IKEE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(C)c(Cl)c1 59265641 TUMLJLUKKGLZMB-UHFFFAOYSA-N 441.988 5.077 30 10 IKEE CC[C@@H](C)Oc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(OC(C)C)cc1)C2 59530931 CDGXTYGIAJTILE-XQFWAAQXSA-N 447.575 5.655 30 10 IKEE C=C(C)COc1ccccc1NCC(=O)Nc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1 66062942 QBBZWRXZQIPSGV-HXUWFJFHSA-N 443.547 5.183 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)CNc1ccc(OCCC)cc1 100076312 GBYSEBSXOSTDOL-UHFFFAOYSA-N 432.693 7.485 30 10 IKEE O=C1C(=O)N(Cc2ccco2)[C@H](c2ccc(Cl)cc2)/C1=C(/O)c1ccc(Cl)cc1 102590009 ABRYUGDREVOOIP-LAFOYAEKSA-N 428.271 5.208 30 10 IKEE CCCCCCCCCCOc1ccc(C2=N/C(=C/C(C)=C/c3ccccc3)C(=O)O2)cc1 103378440 HAAJZFNWQFPTJC-KSFPVOCFSA-N 445.603 7.497 30 10 IKEE CC12CC3(C)CC(C)(C1)CC(C/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)(C2)C3 109170219 YWUGJPNBJAWGHW-TXNBCWFRSA-N 435.362 5.869 30 10 IKEE CC(C)(C)c1cc(/C=N\n2c(S)nnc2Cc2cccs2)cc(C(C)(C)C)c1O 169913889 NRHOXWWUJOIKFR-QRVIBDJDSA-N 428.627 5.402 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(OC(C)C)cc1 169977187 DXIIUVQBDMLTPY-DEOSSOPVSA-N 443.499 5.265 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccccc1C 170088261 WIRLMYQTGRDIFM-HSZRJFAPSA-N 449.453 5.373 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2sccc2C)cc1C 170106263 WBRXEEQTANSNST-HXUWFJFHSA-N 437.948 6.110 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cc(C)cc(C)c3OC)=C(O)C(=O)N2C2CCCCC2)cc1 170114678 CLAASIJZVTXXEX-HSZRJFAPSA-N 449.547 5.232 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc(OC)c2)cc1 170119310 SFSPVUFDKBCCNX-HSZRJFAPSA-N 435.520 5.005 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccc(O)cc2)c1 170133521 CPBQJCRCXQDBSN-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(O)cc2)cc1C(C)C 170138255 HLBVGTRIFKPWPG-DEOSSOPVSA-N 449.547 5.435 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@H]1c1ccc(OC(C)C)cc1 170152133 ZVGYITJARGKYKF-XMMPIXPASA-N 449.547 5.177 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cccc(OC(C)C)c1 170153068 GVIFXJRLMLOFHY-RUZDIDTESA-N 447.575 5.731 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccs2)c1 170155667 QXCDXXYLJJPCCO-NRFANRHFSA-N 437.492 5.459 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccn2)cc1 170169163 LJKDAPZVASTLKB-QHCPKHFHSA-N 446.478 5.038 30 10 IKEE Cc1sc(C2=C(N)N(c3ccc(N4CCC(C)CC4)cc3)CC2=O)nc1-c1ccccc1 170181127 BAESLPYECJNPFD-UHFFFAOYSA-N 444.604 5.071 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2cccnc2)cc1C 170187114 GWMONSYFGOOMAX-XMMPIXPASA-N 442.515 5.269 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(OCC)cc1 170214379 AFEYDJPTXAOBGG-JOCHJYFZSA-N 425.500 5.301 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1 170233636 KFEATEUPZGEQGX-FQEVSTJZSA-N 448.346 5.387 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1ccc(Cl)c(Cl)c1 170246419 CJFKGAKALIJLID-LJQANCHMSA-N 434.319 5.299 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1c[nH]c2ccccc12 170255469 YTFMDVJZUIYCTN-JOCHJYFZSA-N 444.487 5.301 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccco1 170282196 CJCUDRDAPQFGTM-JOCHJYFZSA-N 449.478 5.508 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccco1 170288627 ZNDSKLRMGFZHEU-HSZRJFAPSA-N 447.918 5.903 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C)o2)cc1C(C)C 170306960 INIXSEIMEUOBBL-QHCPKHFHSA-N 449.503 5.400 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2Cc2ccco2)o1 170307087 WVDRIAQWCHRSIV-QFIPXVFZSA-N 433.504 5.565 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1c(C)[nH]c2ccccc12 170311937 ZJDDFJUPHQCSLQ-DEOSSOPVSA-N 446.547 5.644 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2cccc(Cl)c2)cc1 170361865 JAZGJCMKIGFLDA-QHCPKHFHSA-N 447.918 5.830 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc(Oc3ccccc3)cc2)[C@@H]1c1ccc(O)cc1 170450086 RSTXHCNTEGFTDL-HSZRJFAPSA-N 443.499 5.700 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]1c1cccc(Oc2ccccc2)c1 170456678 OXBBIMRKPVMKMW-DEOSSOPVSA-N 441.527 6.303 30 10 IKEE CC(C)C(=O)C1=C(O)C(=O)N(c2cc(Cl)ccc2O)[C@@H]1c1ccc(C(C)(C)C)cc1 170470348 PFIISZMZEQREMQ-HXUWFJFHSA-N 427.928 5.468 30 10 IKEE CCOc1ccc2c(c1)O/C(=C/c1cccc(OCC)c1OC(=O)c1ccc(F)cc1)C2=O 210091117 PRBYUPOWWCWDFU-OEAKJJBVSA-N 448.446 5.459 30 10 IKEE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/Oc3cc(C)c(C)cc3C2=O)cc1 214009588 BKRTUGUTFGMHGW-WGOQTCKBSA-N 436.511 6.171 30 10 IKEE CCc1ccc(N=C2S/C(=C\c3ccc(O)cc3)C(=O)N2c2ccc(CC)cc2)cc1 252606332 GRDGUXROMHEQPC-SIFMURAYSA-N 428.557 6.326 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1ccc2ccccc2c1 253560874 BJLZLPUHRWKSES-UHFFFAOYSA-N 428.561 5.632 30 10 IKEE CCN(CC)c1ccc(C=Nc2nc3ccccc3n2Cc2ccc(C(C)(C)C)cc2)cc1 254511964 DIHFALBCGHHOLC-UHFFFAOYSA-N 438.619 6.979 30 10 IKEE N#Cc1ccc(Nc2ccc(I)c(Br)c2)cc1Cl 302470963 YDWKYKBYMPSJPV-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE N#Cc1cc(Cl)ccc1Nc1ccc(I)c(Br)c1 381075275 FISLAQKRQPKCOD-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1cccc(Cl)c1 526822418 YPIRQJALZMIBSH-QQXSKIMKSA-N 434.996 6.602 30 10 IKEE N#Cc1cc(Cl)ccc1[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 687754183 YVEFWCZMRGSEEZ-HSZRJFAPSA-N 446.890 5.266 30 10 IKEE 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 698416301 DEFTUKXYIQQIDL-OVBMEBQYSA-N 445.604 5.094 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H](CNC(=O)OC(C)(C)C)C(C)C 698420519 VBMJFULHKAIDFI-UYAOXDASSA-N 431.577 5.426 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 698490171 SFEAZNUPSOPOEH-DVECYGJZSA-N 429.561 5.500 30 10 IKEE N#C[C@H](C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)C1CCCCC1 700310210 GOJCBHLIRYJADW-UUOWRZLLSA-N 432.520 5.088 30 10 IKEE CCC(CC)c1cc[n+](/C(C(=S)NCC(F)(F)F)=C(/O)c2ccc(C#N)cc2)cc1 762442001 XLUGRCFBXNTSDN-UHFFFAOYSA-O 434.507 5.112 30 10 IKEE Cc1ccc(NC(=O)[C@@H]2CC(=O)N(C)C(=Nc3ccc(Cl)c(Cl)c3)S2)c(C)c1 1084447064 PCWHAXHRRKPYKP-KRWDZBQOSA-N 436.364 5.200 30 10 IKEE CC(C)=CCC/C(C)=C\CC/C(C)=C\CC[C@](C)(O)CCC1=C(C)C(=O)C(C)=C(C)C1=O 1307209372 LNOVHERIIMJMDG-WLEUOXARSA-N 440.668 7.522 30 10 IKEE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)C2=NNc1ccccc1 1772722377 RBCYLNDYPUTODF-PKTZIBPZSA-N 444.362 5.795 30 10 IKEE Cc1cccc(C[C@H]2SC(=Nc3ccc(C(=O)O)cc3)N(CCc3ccccc3)C2=O)c1 1772728176 RBGBOIJWNKIZIP-HSZRJFAPSA-N 444.556 5.110 30 10 IKEE O=C1/C(=C/c2cccc([N+](=O)[O-])c2)SC(=Nc2ccncc2Cl)N1C1CCCCC1 1772738534 UXLGMDAAGUYPJH-MPZUNYIRSA-N 442.928 5.580 30 10 IKEE O=C1NC(=NN=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)S[C@@H]1Cc1ccccc1 1772742075 XKKISRDNRPYTOB-LJQANCHMSA-N 443.450 5.130 30 10 IKEE C[C@H](/N=C1/C[C@H](c2ccccc2)Oc2cc(OCc3ccccc3)cc(O)c21)c1ccccc1 1848438885 VTOAMLJHTCXHJV-IAMPRXCWSA-N 449.550 7.045 30 10 IKEE Cc1ccc(-c2nn(-c3cccc(C)c3)cc2/C=N\NC(=S)Nc2cccc(C)c2)cc1 1857809130 MKDGHQYXKBQGBH-YUMHPJSZSA-N 439.588 5.785 30 10 IKEE CCc1cccc(C)c1NC(=O)Oc1cccc2c(NC(=O)c3cccc(C#N)c3)cccc12 1858780360 XCTVQMWFAIWDGX-UHFFFAOYSA-N 449.510 6.446 30 10 IKEE C=CCNC(=O)Oc1cccc2c(NC(=O)COc3ccc(Cl)cc3Cl)cccc12 1858938164 VJORSYJXDVBRHA-UHFFFAOYSA-N 445.302 5.439 30 10 IKEE Cc1ccc(-c2cc(C(=O)Nc3ccccc3C#N)nn2-c2ccc(Cl)cc2)cc1C 1859393825 ORRPQXJRWZBCDF-UHFFFAOYSA-N 426.907 5.934 30 10 IKEE CC(C)c1cc(C(=O)Nc2oc3c(c2C#N)CCCC3)c2cccc(Br)c2n1 1859662864 YQQOLTHEWJGNRK-UHFFFAOYSA-N 438.325 5.716 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)CCc1ccc(OC)c(OC)c1 1861088624 SPFZCMUSRALSLX-AREMUKBSSA-N 448.648 5.178 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(OC)cc1 1862385651 UWVYXKJHWNLJBN-BUXKBTBVSA-N 434.319 5.379 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccccc2)cc1C 1862401348 ZBJHXWPOZZAVCS-MHECFPHRSA-N 427.500 5.343 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccc(C)cc2)cc1 1862487074 RTWYGNFLXUZCHP-AREMUKBSSA-N 439.555 5.741 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@@H]2c2ccc(F)cc2)cc1 1862530028 MPTXDGGOLHXTEX-HSZRJFAPSA-N 449.909 5.820 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cccc(F)c1 1862544749 KLMVTLPKZKVDNU-WSNNEZGNSA-N 447.550 5.862 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1c(Cl)cccc1Cl 1862553684 NROPWNYGAXXMJY-HXUWFJFHSA-N 430.331 5.470 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862561488 VBJTVQPRJVGBIV-RUZDIDTESA-N 444.575 5.861 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1c(F)cccc1Cl 1862619699 AUWNWUKCWWSSAZ-OAQYLSRUSA-N 443.946 6.011 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862625360 DOBYOLBNGRFKKD-DEOSSOPVSA-N 447.531 5.415 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862665311 DIVJHAQERQTPBQ-QFIPXVFZSA-N 436.508 5.343 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(Cl)c(C(=O)O)c1 1866029844 LCTHVPSWBARTMD-UHFFFAOYSA-N 438.052 8.238 30 10 IKEE C[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(C#N)c1)c1cccc(Cl)c1 1867184469 KCGJIAJNBMCCGL-KOSHJBKYSA-N 445.950 5.071 30 10 IKEE CCCCCCCCCCNC(=O)Cc1c(C)nn(-c2ccc(Cl)c(Cl)c2)c1C 1869931538 YQUDYWGWRBSUEV-UHFFFAOYSA-N 438.443 6.595 30 10 IKEE CCCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1C[C@H](C)C[C@@H](C)C1 1870350816 XTKQVQWXGZDCJY-FGZHOGPDSA-N 435.612 5.357 30 10 IKEE C=CCOc1cn(CCCCCC)c(CNc2ccc(OCC)c(OCC)c2)cc1=O 1870813745 ZUNVTGFIIHOVIU-UHFFFAOYSA-N 428.573 5.403 30 10 IKEE CCCCCCCCCCn1cc(OC)c(=O)cc1CNc1cc(NC(C)=O)ccc1C 1870999635 JWEIBEGKSHAXIU-UHFFFAOYSA-N 441.616 5.877 30 10 IKEE C#CCOc1cn(Cc2ccccc2Cl)c(CNc2ccc(C(C)(C)C)cc2)cc1=O 1871005693 TVGUYYWEWQQJJY-UHFFFAOYSA-N 434.967 5.472 30 10 IKEE C#CCOc1cn(CCCCc2ccccc2)c(CNc2ccccc2C(C)C)cc1=O 1871007069 KRFVHZSRRYBXLS-UHFFFAOYSA-N 428.576 5.619 30 10 IKEE CCOCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(C(C)(C)C)cc1)C3=O 1871350901 ZMYFJVGRDRWIAR-HAHDFKILSA-N 435.564 5.487 30 10 IKEE CCc1ccc([C@@H](C)N2COc3c(cc4c(c3C)O/C(=C\c3ccncc3)C4=O)C2)cc1 1871360241 YBPCXQNHCVLVBC-WTZXFZKGSA-N 426.516 5.482 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCCCOc4ccc(Cl)cc4)ccc3C2=O)cc1 1871404750 DSSJQUJYGYQVMD-IWIPYMOSSA-N 436.891 5.813 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2Cl)C3=O)c1 1871454601 SVGBYLSEILAZKI-QRVIBDJDSA-N 447.918 5.899 30 10 IKEE CCCCCCCCN=c1nc(N(CC)CCCC)[nH]c(=Nc2cc(C)ccc2C)[nH]1 1871671926 LMUWAMBKZKKHRD-UHFFFAOYSA-N 426.653 5.475 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 1871763294 YKFACHPYONBFMZ-JOCHJYFZSA-N 449.016 5.413 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1ccccc1 1872299565 HJMCPPZWRQPOKK-OAQYLSRUSA-N 434.989 5.023 30 10 IKEE CC(C)COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 1872760319 LRUFFPDQXGLUDW-HSZRJFAPSA-N 426.541 6.488 30 10 IKEE CCCCCCCCN1C(=O)C(NC2CCCC2)=C(c2c(Cl)cccc2Cl)C1=O 1873092666 UVQVNQDQNAPQFE-UHFFFAOYSA-N 437.411 5.966 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H]2CCCC[C@H]2C)=C(c2ccccc2[N+](=O)[O-])C1=O 1873139841 GEHBPFUHSCSURJ-UYAOXDASSA-N 441.572 5.204 30 10 IKEE CCCCCCCCCCNC(=O)c1cc(-c2ccncc2)nc2ccc(C(C)C)cc12 1873936667 MWGGMHOGKQBPCG-UHFFFAOYSA-N 431.624 7.291 30 10 IKEE CCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1c(Cl)cccc1Cl 1874246096 MBXMNDBLZOWYFI-ZVHZXABRSA-N 449.407 5.899 30 10 IKEE CCCc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccc[nH]2)cc1 1874258143 LWIOXVKFQJZBLS-WGOQTCKBSA-N 431.565 5.312 30 10 IKEE Cc1ccccc1/C=N/n1c(Cc2cccc3ccccc23)nnc1SCc1ccccc1 1874270000 ZQFKBDBFGLFQOK-VUTHCHCSSA-N 448.595 6.505 30 10 IKEE Cc1ccc(C)c(CSc2nnc(COCc3ccccc3)n2/N=C/c2ccc[nH]2)c1 1874355310 ISHFLNIKCDGPDE-VULFUBBASA-N 431.565 5.114 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3C)n2/N=C/c2ccc(F)cc2)cc1 1874359835 BEDRZVINYWWKNW-OGLMXYFKSA-N 444.579 5.994 30 10 IKEE CCCSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(Cl)c(Cl)c1 1874367444 CDAVOVLOSIKDAT-SSDVNMTOSA-N 425.772 6.290 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(O)cc1 1874401357 MBTGRYTXBHKBDM-CIRUFVMISA-N 448.979 5.963 30 10 IKEE Oc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2cccc(Cl)c2)cc1 1874419319 IKERMQDFDPGNSX-MFKUBSTISA-N 434.952 5.402 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(C)n2/N=C/c2ccc(Cl)cc2Cl)c1 1874530542 OMQJEOBJGFJWDL-AUEPDCJTSA-N 448.379 5.123 30 10 IKEE COc1cc(/C=N/n2cnnc2SCc2cccc3ccccc23)ccc1OC(C)C 1874539652 PXALKRCLIAYDOA-VULFUBBASA-N 432.549 5.402 30 10 IKEE Sc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc(Br)cc1 1874567660 JYAXQKZSTYROPY-OEAKJJBVSA-N 437.366 5.150 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc3ccccc3c2)c1OCCc1ccccc1 1874571308 HARSDMWUBSLSHE-BUHFOSPRSA-N 442.942 7.019 30 10 IKEE COc1cccc(C(=O)/C=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)c1 1874572359 JKZKBNMPRBQQQP-CCEZHUSRSA-N 428.915 6.977 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C/C(=O)c2ccccc2Cl)c1 1874575135 XNTGSGIFCUVCJS-PKNBQFBNSA-N 440.326 6.215 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1cccc2ccccc12)c1ccc([N+](=O)[O-])cc1 1874575436 NHNGPPZNFKRKII-GXDHUFHOSA-N 443.886 6.877 30 10 IKEE O=C(/C=C/c1ccccc1OCc1c(Cl)cccc1Cl)c1cccc2ccccc12 1874582660 ZRBPFBLDLJLDQN-FOCLMDBBSA-N 433.334 7.622 30 10 IKEE COc1cc(Br)cc(/C=C/C(=O)c2ccc(C(C)C)cc2)c1OCCCO 1874583700 BCSXIVRJOBFUMG-MDZDMXLPSA-N 433.342 5.238 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3cc(C)ccc3C)c2)cc1C 1874593721 YLDCDEZWEBAMAM-ZRDIBKRKSA-N 429.516 5.534 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)cc1OCc1ccccc1 1874601186 YDWAFLUBWONYON-JLHYYAGUSA-N 434.488 5.196 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCc3cccc4ccccc34)c(Cl)c2)cc1C 1874631702 PWCZIJZSXNXVFL-SDNWHVSQSA-N 426.943 7.585 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccccc3Cl)c2)cc1OC 1874696618 IWNXBHBDCWMWBR-ZRDIBKRKSA-N 436.891 5.401 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3ccccc3CC)c2)cc1 1874702298 XIQMVRYEEPUORQ-SFQUDFHCSA-N 444.527 5.918 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cc(C)cc(C)c3)c2)cc1C 1874718282 SYYRFLAPZWIBJZ-VQHVLOKHSA-N 444.527 6.053 30 10 IKEE C=CCN(CC=C)CCC(=O)c1ccc(OC(=O)Cc2ccc(Cl)c(Cl)c2)cc1 1874740726 KQQOZOLBTYQGIA-UHFFFAOYSA-N 432.347 5.388 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(F)c(C)c2)CSc2nnc(CCC)n21 1874857484 MNQURNSIYQSYMW-HXUWFJFHSA-N 432.609 5.740 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC(=O)C(C)(C)C 1875080504 LRAZMKIUIVPNIK-LFIBNONCSA-N 444.527 6.218 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc(Cl)c1OC(=O)C1CCCC1 1875109312 IAPHKBWESGQOQS-PKNBQFBNSA-N 442.939 6.047 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3cccc(OC)c3)cc2)cc1 1875137546 RMZHSMKLMIDBRH-RQZCQDPDSA-N 444.527 5.918 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)Cc1ccccc1 1875139955 JKYGOEQDYVMXEK-CCEZHUSRSA-N 440.539 6.085 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1[N+](=O)[O-] 1875154935 FFOOIXWRCCMJHH-FYWRMAATSA-N 437.451 6.172 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)c1cncc(C)c1 1875157814 PRMSUTBZTVNTAO-FPYGCLRLSA-N 425.843 5.306 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C(C)(C)C)ccc3C)cc2)cc1 1875184697 LZSRLZIOEFQYQJ-RQZCQDPDSA-N 428.528 6.416 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)c1cccs1 1875184984 AJHJXPKORHPPRQ-JLHYYAGUSA-N 448.584 6.868 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)ccc1OC(=O)c1ccccc1 1875192070 SEIWTIQZEPUSDE-NTCAYCPXSA-N 438.479 5.972 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)ccc21 1890676961 BWXTUYOJMQNKAE-IBGZPJMESA-N 434.580 5.565 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Cl)cc1Br 1898036186 RAZJAQUNLXPCDU-ROUUACIJSA-N 443.813 5.450 30 10 IKEE CCCCCCCCCCC[C@H](N)c1sc(Br)cc1Br 1922929816 LXXNUPDPVMCKQV-AWEZNQCLSA-N 425.274 7.194 30 10 IKEE C=C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)([C@@H](CC(C)C)C(=O)O)C(C)(C)C 1927550255 KBHMLRAMFXQWDD-CUBQBAPOSA-N 449.591 6.243 30 10 IKEE N#Cc1csc([C@H](CCCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 1951857770 DUKXHXMREWCHIW-QFIPXVFZSA-N 446.528 5.454 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1982205471 NKFARTWNDRRALP-QRQCRPRQSA-N 435.952 5.279 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1scc(Br)c1C 2041206708 OLLMWWVUGOWJOW-CVEARBPZSA-N 429.424 5.166 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)([C@@H](O)CC#CC2CCCCC2)C1 2041887477 PUOQLMWMZUHXMC-RPLLCQBOSA-N 441.612 5.165 30 10 IKEE C=C([C@H](NCCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)C(C)(C)C 2041909042 GHNVJKKUUXLDBU-HOFKKMOUSA-N 444.660 5.801 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)C2(C#N)CC3(CC(NC(=O)OC(C)(C)C)C3)C2)cc1 2056503303 CCQVWBHLIWZHBM-UHFFFAOYSA-N 441.572 5.466 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H]1C[C@H]2CCCC[C@@H]2N(C(=O)OC(C)(C)C)C1 2058996518 SGBKAEWXUQFFQS-NGSHPTGOSA-N 442.644 5.553 30 10 IKEE CC(C)[C@H]1CC=C(C(=O)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)CC1 2061189537 OLMRXYDEWZSIDG-WXVAWEFUSA-N 441.612 5.782 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@]1(C#N)C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21 2070328612 ROFOKUDQVUWSJT-YCUIJWHHSA-N 436.527 5.845 30 10 IKEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Cl)cc1Br 2077804736 DCDNRLGWDHKHFP-SJORKVTESA-N 429.786 5.060 30 10 IKEE CC(C)[C@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)(F)F)c(C(N)=O)c1Cl 2080047375 DJNRIDQOBUFVHE-LLVKDONJSA-N 431.739 5.058 30 10 IKEE CCOC(=O)c1c(C(F)(F)F)nn([C@@H](c2ccc(C(F)(F)F)c(F)c2)C(C)C)c1N 2080052758 PBCPJOZITSVWCB-CYBMUJFWSA-N 441.347 5.064 30 10 IKEE N#Cc1c(C2CCCCC2)nn(Cc2cc(F)ccc2I)c1Cl 2080381748 ZKFLRCLXRWCUTQ-UHFFFAOYSA-N 443.691 5.248 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCOCC12CCCC2 2149666141 FVVPUAFEJYRCTE-OAQYLSRUSA-N 435.362 5.434 30 10 IKEE CO[C@H]1CC(C)(C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2162035658 BWSBEBJJYVDFOF-UWJYYQICSA-N 437.378 5.678 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNc2ccc(C#N)c(Br)c2F)CC1 2162290965 GBBTUFZANOEUQV-HDJSIYSDSA-N 440.357 5.203 30 10 IKEE COc1cc(CNC(=O)OC(C)(C)C)ccc1Nc1cc(Br)ccc1C#N 2162333739 MBTXSGRPZGPJJV-UHFFFAOYSA-N 432.318 5.098 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(Nc3ccc(C#N)cc3Br)CCCCC[C@H]12 2162340936 CVZMZWVKJXIKGY-GHTZIAJQSA-N 434.378 5.445 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(CNc3cc(Br)cc(F)c3C#N)CCC[C@H]12 2163692773 QQNGJUOOBLFBAO-PXNSSMCTSA-N 438.341 5.051 30 10 IKEE CC1(C)CC[C@H](CNc2cc(Br)cc(F)c2C#N)N(C(=O)OC(C)(C)C)C1 2163711435 QNQNHSCXOXOJRE-CQSZACIVSA-N 440.357 5.297 30 10 IKEE C[C@@H](Nc1cc(Br)cc(F)c1C#N)[C@@H](NC(=O)OC(C)(C)C)c1ccco1 2172874478 PFLGZMLPJSIMJF-PIGZYNQJSA-N 438.297 5.119 30 10 IKEE CN(c1cccc(Br)c1C#N)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1 2197458271 JHRIDICPKQIDBV-LJQANCHMSA-N 430.346 5.023 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(Nc2cccc(Br)c2)C12CCCC2 2204347510 OMRMKDJZGPVSKT-FQEVSTJZSA-N 434.378 5.467 30 10 IKEE CC1(C)OB(c2cscc2CN(Cc2ccccc2)Cc2cccs2)OC1(C)C 2211135711 KWJQZAIHZPCPTG-UHFFFAOYSA-N 425.428 5.311 30 10 IKEE C=CCC[C@H](C)[C@H](NC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229122793 HOOPUPGBJHZBBP-SNRMKQJTSA-N 425.411 5.075 30 10 IKEE CC1(C)CCC(NC(=O)OC(C)(C)C)(C(=O)C#Cc2ccccc2Br)CC1 2235715751 CHDCVDKZJSWDQC-UHFFFAOYSA-N 434.374 5.233 30 10 IKEE CC#CCC[C@@H](NCCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237410641 YBOSPWIHXBGTDH-UXHICEINSA-N 437.422 5.057 30 10 IKEE CC[C@H](C#N)Oc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C(=O)O)c1 2243586147 MCDOUMADABYDBS-MRXNPFEDSA-N 442.471 5.427 30 10 IKEE CN[C@@H](CC#CC1CCCC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2274114608 ZLKBBKXNKPEQES-NDEPHWFRSA-N 439.599 6.689 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCC(=O)O)c1ccc(Cl)c(Br)c1F 2275813655 ZGVIGEUVEUOLND-LJQANCHMSA-N 443.696 5.157 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NC)c2cc(Br)cc(C(C)C)c2)C1 2280704259 PRLICDNWVRSILE-IBGZPJMESA-N 437.422 5.694 30 10 IKEE C=CCCC1([C@H](Cc2ccc(Br)cc2)NCC)CN(C(=O)OC(C)(C)C)C1 2281054517 YGXKYKWLHIJHKI-IBGZPJMESA-N 437.422 5.173 30 10 IKEE COCCCN1C(=O)C(=Cc2ccc(-c3ccc(C#N)cc3)o2)SC1=Nc1ccccc1 2294013798 BWOUVQLTWXPQMX-UHFFFAOYSA-N 443.528 5.459 30 10 IKEE O=C1NC(=Nc2ccc(F)cc2)SC1=Cc1ccccc1OCc1ccc(Cl)cc1 2294013996 QMQJEKHQXPJWHT-UHFFFAOYSA-N 438.911 5.950 30 10 IKEE C[C@H](CC(=O)C#Cc1cccc(Br)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2296222339 QXYKORUKURQOGE-AEFFLSMTSA-N 434.374 5.043 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)CCC[C@@H](C)NC(=O)OC(C)(C)C 2296286550 MMFAOFOWLPZXCL-XLIONFOSSA-N 437.422 5.252 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1CCC[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C 2312592033 XUTLEOYXOOHZJV-ZYQDXHPFSA-N 442.644 5.553 30 10 IKEE O=C1C(=Cc2cccc(Br)c2)Oc2cc(OCc3cccc(Cl)c3)ccc21 2314437280 IAVSPBWNOHLHJC-UHFFFAOYSA-N 441.708 6.298 30 10 IKEE Cc1ccc(N=C2NC(=O)SC2=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 2314482690 RWOPJSZEHLHJMC-UHFFFAOYSA-N 428.435 6.801 30 10 IKEE Cn1cc(C=C2SC(=Nc3cccnc3Cl)N(c3ccccc3)C2=O)c2ccccc21 2314539808 BHNLZWSXXPIZOG-UHFFFAOYSA-N 444.947 6.035 30 10 IKEE CC(C)CN(Cc1ccccc1)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(F)(F)F)n1 2317355854 XQMRTXILBPWWRN-UHFFFAOYSA-N 434.311 5.062 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(OCC)c(Cl)c1 2318574143 FOHPUIPAXVLLEX-UHFFFAOYSA-N 449.407 6.111 30 10 IKEE CCCCCCCCCCN1C(=O)C(=Cc2cn(C)c3ccc(OC)cc23)SC1=S 2318684082 PAXQJVIAKMSASC-UHFFFAOYSA-N 444.666 6.529 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]2C)cc1 2321322560 UGAMMMFVDBSVAO-MHPIHPPYSA-N 443.588 5.664 30 10 IKEE Cc1cc(OCc2ccc([N+](=O)[O-])cc2)cc2c1C(=O)C(=Cc1cn(C)c3ccccc13)O2 2321851258 LQXPIWDBXAOHDD-UHFFFAOYSA-N 440.455 5.590 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc3c2CN(CCc2ccc(Cl)cc2)CO3)C1=O 2321928131 KPBRLMKQWNWRIQ-UHFFFAOYSA-N 437.948 5.721 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O3)CN(C[C@H]1CCCO1)CO2 2321961924 KZHWSHPCOVEKEX-HXUWFJFHSA-N 433.548 5.240 30 10 IKEE COC(=O)c1ccc(C=C2Oc3c(ccc4c3CN([C@H](C)c3ccccc3)CO4)C2=O)cc1 2322092148 BVTQTWSTLYGWFF-QGZVFWFLSA-N 441.483 5.003 30 10 IKEE COc1ccc(CN2COc3ccc4c(c3C2)OC(=Cc2sccc2C)C4=O)cc1OC 2322209590 DPODXGGRTBWYOK-UHFFFAOYSA-N 449.528 5.042 30 10 IKEE CCOc1ccccc1C=C1Oc2c(cc3c(c2C)OCN(CCC2=CCCCC2)C3)C1=O 2322377520 ZMENSSNUAZAGPS-UHFFFAOYSA-N 445.559 6.052 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccc(C)cc2C)cc1 2322549350 HOJJEYODICZUJU-UHFFFAOYSA-N 429.516 5.616 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCc3ccc(C)cc3)ccc3ccccc23)c(C)c1C 2322818761 XRILCAIKNBSJKW-UHFFFAOYSA-N 436.551 7.249 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc2c(c1)OC(=Cc1sccc1C)C2=O 2323173070 ZDTFRTJJUAYIMQ-UHFFFAOYSA-N 434.513 5.746 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cccc(OCC(=O)N[C@@H](C)c3ccccc3)c2)c(C)c1 2323302469 KLHQRFGMFGFOMC-QFIPXVFZSA-N 427.544 5.764 30 10 IKEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CC[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C1 2323304297 GHRPPFUHKWKQQN-VVZHRXSXSA-N 442.600 5.088 30 10 IKEE CC(C)COC(=O)COc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1Cl 2323348052 OPSPKJJIVUCSNX-UHFFFAOYSA-N 448.946 6.481 30 10 IKEE Cc1cc(OC(=O)c2cccc(Oc3ccccc3)c2)cc2c1C(=O)C(=Cc1ccncc1)O2 2323561025 NDBKPBROKXWCBH-UHFFFAOYSA-N 449.462 6.018 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OCc1c(Cl)cccc1Cl 2323800683 MWXAAEFROMROSL-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE CCCCN(CCCC)Cc1c(O)cc(C)c2c1OC(=Cc1ccc3c(c1)OCO3)C2=O 2324080523 ABKORGHLNJXESS-UHFFFAOYSA-N 437.536 5.448 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1C 2324332649 DOIQYXONPNGACW-UHFFFAOYSA-N 439.382 7.702 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)c(C)c1 2324494671 TWDLDACWMBYSKK-GOSISDBHSA-N 445.490 5.773 30 10 IKEE Cc1cccc(COc2ccc(C=CC(=O)c3cc(C(C)(C)C)ccc3C)cc2Cl)c1 2324574675 OUIVPJNMOJNAKV-UHFFFAOYSA-N 432.991 7.729 30 10 IKEE Cc1c(OCc2ccc(C#N)cc2)ccc2c1OC(=Cc1ccc(Cl)cc1Cl)C2=O 2324759490 GLXHUCDQGLUXSA-UHFFFAOYSA-N 436.294 6.369 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1C)C2=O 2325005130 LUGYPZYCEPRGLA-UHFFFAOYSA-N 427.500 5.500 30 10 IKEE CCCN(CCC)C(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O 2325198347 OCOAEFAXZLKKHJ-UHFFFAOYSA-N 427.928 5.292 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3cc(C)ccc3C)c2)cc1OC 2325703350 LXZCZRVVUMPDOF-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)CCCOc3ccc(C)cc3)c2)cc1 2325719392 SYTLRQLFLDMNPG-UHFFFAOYSA-N 430.500 5.664 30 10 IKEE C[C@@H](C(=O)Oc1cccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)c1)c1ccccc1 2325737389 GQRXSIKXTTXMJB-MRXNPFEDSA-N 425.311 6.599 30 10 IKEE CCC(=O)Oc1cc(C=CC(=O)c2cccc3ccccc23)c(Br)cc1OC 2325749649 FOQQVVPOBRRCKK-UHFFFAOYSA-N 439.305 5.822 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2cc(Br)c(O)c(Br)c2)cc1 2325792639 MAWMXGKLIGGZRT-UHFFFAOYSA-N 438.159 6.111 30 10 IKEE CCOc1cc(C=Nn2c(C)nnc2SCc2ccc(C)cc2C)cc(Cl)c1OC 2326433205 BTIQLPDWPYVVFL-UHFFFAOYSA-N 444.988 5.439 30 10 IKEE CCOc1ccc(C=Nn2c(COc3ccc(Cl)c(C)c3)nnc2SCC)cc1 2326514794 CKUQSYUMNGLBJX-UHFFFAOYSA-N 430.961 5.212 30 10 IKEE C=C(C)CSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1ccc(OC)cc1 2326999455 QKRUWMPJWWIUHE-UHFFFAOYSA-N 436.581 5.157 30 10 IKEE CCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc(C(F)(F)F)cc1 2328043184 VAYJFHWUXPDKKO-UHFFFAOYSA-N 438.906 5.730 30 10 IKEE C=CCSc1nnc(Cc2ccccc2F)n1N=Cc1c(OC)ccc2ccccc12 2329761555 HQKBCDPJXVHFFG-UHFFFAOYSA-N 432.524 5.330 30 10 IKEE CC(=Cc1ccccc1Cl)C(=O)N[C@H](C(=O)Nc1cccc(C#N)c1)c1ccccc1 2330473537 KTCXKPRBQRLYHS-QHCPKHFHSA-N 429.907 5.111 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)CCCC4)cc2OC)cc1 2330705399 WWLIBTQQNXMXPR-UHFFFAOYSA-N 440.539 6.252 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCC(=O)OCCC)nnc2C2CCCC2)cc1 2331101300 PEAXLVXIXIHFKM-UHFFFAOYSA-N 444.601 5.042 30 10 IKEE Oc1ccccc1C=Nn1c(SCc2c(Cl)cccc2Cl)nnc1C(F)(F)F 2331145054 ROJUMYLEDGWKFT-UHFFFAOYSA-N 447.269 5.484 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc([N+](=O)[O-])c1OC(=O)c1ccccc1C 2331174457 RLRVSTKSDQJXLM-UHFFFAOYSA-N 431.444 5.417 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2N=Cc2ccc(C)cc2)cc1 2331182801 PLPGKKCYSBOJPA-UHFFFAOYSA-N 445.548 5.022 30 10 IKEE Oc1ccccc1C=Nn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccco1 2331215954 CUBBBYRDBHQYQY-UHFFFAOYSA-N 445.331 5.725 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)CCc1ccc(Cl)cc1 2331236670 SCXQMNPIWHETPC-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3F)c(Cl)c2)cc1 2331304234 SOIWRRVHYKLVEV-UHFFFAOYSA-N 438.882 6.383 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1N=Cc1ccc(C(C)C)cc1 2331327455 IPCIQPCUQIXZKQ-UHFFFAOYSA-N 449.624 5.666 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 2331352287 CCKKAECMZSUUGA-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCO4)cc2[N+](=O)[O-])cc1C 2331440932 CWMUHXLNJUYZFR-UHFFFAOYSA-N 445.427 5.056 30 10 IKEE CC(C)Cc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc2c(c1)OCCO2 2331456499 UYVIDTMVVAWCMM-UHFFFAOYSA-N 442.972 5.076 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OC(=O)CC(C)(C)C 2331552779 COVQINGFZNPOQY-UHFFFAOYSA-N 438.564 6.239 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OC(=O)Cc1cccs1 2331565548 PJFRLFCWQVWNNX-UHFFFAOYSA-N 428.456 5.469 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccccc2CC)n1N=Cc1ccc(Cl)cc1 2331636457 ZWUHECCVDZDPOY-UHFFFAOYSA-N 441.988 5.059 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(Cl)cc3)cc2)c1C 2331641621 NCLPQGNBHULYIC-UHFFFAOYSA-N 432.947 6.618 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C(C)C)c(OC)c1 2331702029 HDDJDRYYPJCWKG-UHFFFAOYSA-N 430.961 5.247 30 10 IKEE CCCCCCCCCC[C@H](O)c1ccc(OCc2ccccc2)cc1Br 2361178902 RJCZHNHUQDREKA-DEOSSOPVSA-N 433.430 7.592 30 10 IKEE N#C[C@H](C(=O)c1cc(Br)sc1Br)c1ccc(Cl)c(F)c1 2362140861 KPCFXAMBNDVCFK-QMMMGPOBSA-N 437.515 5.556 30 10 IKEE C=CCCCCCCCSC1(C(=O)O)CCC(NC(=O)OCc2ccccc2)CC1 2380016146 AMAMOKUDHYDOTN-UHFFFAOYSA-N 433.614 5.939 30 10 IKEE C[C@H]1CCc2c(sc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2C#N)C1 20158996 QEDDPRQTBIOIPN-VIFPVBQESA-N 432.389 6.034 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(O[C@@H](C)CC)cc2)cc1 20884479 YCNRAJRIUCOYCI-VNZMSGEBSA-N 447.575 5.657 30 10 IKEE C=CCC[C@@H](O)CN(CCC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1 36316300 PTRJRWVLENROIB-HSZRJFAPSA-N 433.596 5.766 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc(OCc3ccc([N+](=O)[O-])cc3)c2C)C1=O 41501420 FKSOFZFBSGKHIL-UCQKPKSFSA-N 431.444 5.497 30 10 IKEE Cc1cc(OCc2ccc([N+](=O)[O-])cc2)cc2c1C(=O)/C(=C/c1cn(C)c3ccccc13)O2 41501727 LQXPIWDBXAOHDD-MSXFZWOLSA-N 440.455 5.590 30 10 IKEE O=C(Nc1cccc(C#C/C=C/c2cccc(NC(=O)c3ccccc3)c2)c1)c1ccccc1 59522334 CGIFFCNABVBOSQ-YRNVUSSQSA-N 442.518 6.256 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OCC(=O)OC(C)(C)C)cc(C)c3C2=O)cc1 62942250 FLRAVEHTJXCSGQ-HMAPJEAMSA-N 437.536 5.178 30 10 IKEE CCCCCCCOc1ccc(NC(=S)NC(=O)/C=C/c2ccc(OC)cc2)cc1 100155580 FPVGROGVRRKGRC-LICLKQGHSA-N 426.582 5.571 30 10 IKEE CCOC(=O)C1=C(Nc2cccc3ccccc23)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O 100209249 XYZRQGMWCWQDSS-XSFVSMFZSA-N 446.484 5.292 30 10 IKEE N#Cc1c(-c2c(Cl)cccc2Cl)noc1/C=C\Nc1ccccc1-c1ccccc1 100403631 FVARQXMNMCDWDV-YPKPFQOOSA-N 432.310 7.270 30 10 IKEE CCCCCCCn1c(CCNC(=O)c2ccc(Br)cc2)nc2ccccc21 102140476 YCFXNGOCNYAMBW-UHFFFAOYSA-N 442.401 5.742 30 10 IKEE CSc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nn(-c4ccccc4)c(O)c32)cc1 104353162 WQYXWACEEZLSAM-HXUWFJFHSA-N 431.561 5.500 30 10 IKEE CCCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccccc1C 105449741 OXBGFRYXTQDPLC-UHFFFAOYSA-N 429.733 9.755 30 10 IKEE Cc1ccc(O/C(=N\C2(C(Cl)(Cl)Cl)Oc3ccccc3O2)C(F)(F)F)cc1 105546310 ICGBZBANGVXHDJ-OYKKKHCWSA-N 440.632 5.830 30 10 IKEE Cc1ccc(/N=C/C2=C(Nc3ccc(C)cc3)c3c(C)nn(-c4ccccn4)c3CC2)cc1 137046061 XEYNMBRUPZNZOU-UXHLAJHPSA-N 433.559 6.364 30 10 IKEE COc1cc(/C=N\n2c(C(C)C)n[nH]c2=S)ccc1OCc1ccc(C(C)(C)C)cc1 139552477 UJUGDPUMKRQWSI-QFEZKATASA-N 438.597 5.831 30 10 IKEE CCCCCCCCCCCCCCCCCCCCCCNC(=O)c1ccccc1 141794562 GKIGWMCWSLVNNQ-UHFFFAOYSA-N 429.733 9.238 30 10 IKEE N#C[C@@H](C(=O)c1cc(Br)ccc1Br)c1c(F)cccc1Cl 160717564 VPRZOWITUARKCO-SNVBAGLBSA-N 431.486 5.494 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCC)cc1 169976029 CYPIJUXBVXDNSF-XMMPIXPASA-N 447.531 5.990 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@@H]2c2cccnc2)s1 170003778 RVSUDRPJRFHZBJ-HXUWFJFHSA-N 447.560 5.235 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2cccnc2)c(C)c1 170005956 NJLNVDVDTJXLLD-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccccc1 170052037 UXBFOZOMNFFJID-QFIPXVFZSA-N 447.874 5.160 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2cccc(O)c2)c(C)c1 170080960 OKBVSAXPWVMDQH-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1cccc(OC)c1 170120879 FPYVTDLRRFNPKD-HXUWFJFHSA-N 425.868 5.083 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(C)c2)cc1C(C)C 170143888 MYNAQDJEGNEZJS-DEOSSOPVSA-N 445.515 5.499 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(C)c2)cc1C 170148689 NXLODQALYBOMHG-DEOSSOPVSA-N 433.548 5.613 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC(C)C)c3)[C@@H]2c2ccncc2)c1 170200657 QZOSKGWVXAUORQ-DEOSSOPVSA-N 442.515 5.208 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@H]2c2ccncc2)c1 170201069 SNVJQUVBQYVOMK-DEOSSOPVSA-N 442.515 5.216 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(OCC)c(OC)c1 170216432 UIWRMYHORFUHLQ-XMMPIXPASA-N 445.515 5.235 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@H]1c1ccc(C(C)C)cc1 170245189 NVZXULHIICRYGU-HSZRJFAPSA-N 435.564 5.814 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(C(C)C)cc1 170245964 GMQWDRXTLXHLNS-AREMUKBSSA-N 441.571 6.732 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2C2CCCCC2)cc1 170266656 UJHBXBAAYMENJS-XMMPIXPASA-N 433.548 5.477 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@@H]1c1ccc(CC)cc1 170268205 RYNIXRLLZMOFRX-QHCPKHFHSA-N 435.564 5.643 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccco2)cc1OC 170280958 PSEROSHDUUIWEZ-QHCPKHFHSA-N 447.487 5.203 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@@H]2c2ccco2)c1 170283089 LMMCUHXNTSPUQU-QHCPKHFHSA-N 431.488 5.467 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2C)[C@@H]1c1ccco1 170284030 ZLLOAMOKYSGAHT-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1c(C)[nH]c2ccccc12 170311778 IDMLWTGKFXNCIC-HSZRJFAPSA-N 432.520 5.172 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2sccc2C)cc1C 170314029 LPJIZDNBNCTFOA-HXUWFJFHSA-N 437.492 5.296 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1sccc1C 170318837 ZLAGXCFXVHJODV-GOSISDBHSA-N 429.925 5.835 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(C(C)(C)C)cc2)cc1 170326310 RFOOQBIDLPCVTB-QFIPXVFZSA-N 447.556 5.837 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1c1ccc(C(C)(C)C)cc1 170333191 QMRVBOJQYRIWRI-JOCHJYFZSA-N 447.556 5.837 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(C)cc2)=C(O)C(=O)N1c1ccc(C)c(Cl)c1 170335756 LEVWKUGPMULQRT-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Br)cc3)[C@@H]2c2ccccc2)cc1 170374289 XKNNJGXGUOVNTE-OAQYLSRUSA-N 448.316 5.540 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c(OC)ccc3ccccc13)N2 226860803 QKJBRMGKWPBSME-GVQINVNESA-N 441.615 8.024 30 10 IKEE Cc1ccc(C)c(CN2C(=O)[C@](O)(CC(=O)/C=C/C=C\c3ccccc3)c3ccccc32)c1 229892961 PSFVPAFHAATMEL-BYFFQCMDSA-N 437.539 5.267 30 10 IKEE CC1=NN(c2ccccc2)/C(=C\c2ccc(Cl)cc2)C1=Nc1ncc(Cl)cc1Cl 252511414 GMZPGJVFAYPWTJ-NYTAGIQFSA-N 441.749 7.052 30 10 IKEE CC(C)COc1ccc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)cc1 252622347 NTITWBAYXKMOTE-NARSBJQYSA-N 442.584 6.526 30 10 IKEE C=CCn1c(SCCC(=O)Nc2ccc(C)cc2C)nnc1-c1ccc2ccccc2c1 253563772 FUNMDTNBEWUOJV-UHFFFAOYSA-N 442.588 6.022 30 10 IKEE O=[N+]([O-])c1ccc(NN=Cc2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)o2)cc1 254292487 VVOWAHOVWWCWRD-UHFFFAOYSA-N 443.303 6.338 30 10 IKEE CCCCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2C)SC1=Nc1ccc(F)cc1 254699256 MREGOTUAWRGDTP-SKGRIUKPSA-N 443.569 5.609 30 10 IKEE CN1/C(=C2\SC(=Nc3ccc(O)cc3)N(c3ccc(O)cc3)C2=O)Sc2ccccc21 254832902 UPPQVMCUFAJDIF-QLMUGPIMSA-N 447.541 5.277 30 10 IKEE O=C1/C(=C/c2cccc(C(F)(F)F)c2)SC(=Nc2ccccc2)N1Cc1ccco1 254834522 BUQUYMMABQGASJ-CCHDUMJESA-N 428.435 6.103 30 10 IKEE Cc1ccc(N=C2SCCCN2C(=O)/C=C\c2ccc(Br)o2)cc1Cl 254847200 WSHFDUWLVADLPY-FRFQZDPGSA-N 439.762 5.670 30 10 IKEE N#Cc1ccc(NCCc2cccc(OCc3ccccc3)c2)c(F)c1Br 312600687 RYKHSJJBTQEZPB-UHFFFAOYSA-N 425.301 5.693 30 10 IKEE CC1(C)OB(CCC[C@H](N)c2cc(Cl)c(OCc3ccccc3)cc2O)OC1(C)C 383831593 QXWCBPIBLUEROP-IBGZPJMESA-N 431.769 5.497 30 10 IKEE C=C(COC(C)C)[C@@H](NCCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 407262390 JFHQSQSNTNSTTB-LJQANCHMSA-N 441.410 5.818 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 526488706 MEUMJDKGQGGPIY-LJQANCHMSA-N 427.312 5.984 30 10 IKEE CCOc1cc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(F)cc2)ccc1OC 526517116 SVXJPRPIOWALIZ-XMMPIXPASA-N 444.462 5.162 30 10 IKEE Cc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccc(OC(C)(C)C)cc1 526821553 YJKDLIFZTXYNRT-QQXSKIMKSA-N 430.577 6.092 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)NC2CCN(C(=O)N[C@@H](C)c3ccccc3)CC2)c1 585910810 GOURUFYDTALDAE-FQEVSTJZSA-N 448.611 5.189 30 10 IKEE COc1ccc([C@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)cc1Br 698823094 FCAJYEZVUNUUSQ-INIZCTEOSA-N 437.359 5.521 30 10 IKEE C=CCC1([C@H](Cc2cc(Cl)ccc2Br)NC)CN(C(=O)OC(C)(C)C)C1 722911620 CSDSPUXYKGPABY-KRWDZBQOSA-N 443.813 5.046 30 10 IKEE Cc1nc(O)c(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1-c1ccccc1 750026579 HQCAJFUCLRVSPB-UHFFFAOYSA-N 425.513 5.293 30 10 IKEE CCOc1cc(C=NNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1 1084023704 OISDJJMMUZORAP-UHFFFAOYSA-N 425.872 5.672 30 10 IKEE CCc1ccc(N=C2S/C(=C/c3ccccc3Cl)C(=O)N2c2ccc(CC)cc2)cc1 1084316466 AQBDILCMMRMSCZ-KISRHMMLSA-N 447.003 7.273 30 10 IKEE Cc1ccc2nc(-c3ccc(N=C/C(Br)=C\c4ccccc4)cc3)sc2c1 1084340310 OUXKJATXHJXASF-NOMAPVESSA-N 433.374 7.410 30 10 IKEE Clc1ccc(/N=C/C(Br)=C/Nc2ccc(Cl)c(Cl)c2)cc1Cl 1615710772 SHRRSTMMOASCTK-RJENSOJQSA-N 438.967 7.351 30 10 IKEE CCCCCCCCNC(=O)[C@@H](NC(=O)/C=C/c1cccc(Cl)c1)c1ccccc1 1861545930 JTAHZLPZPJZNKZ-JOPBRCQMSA-N 426.988 5.687 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)CCCOc1ccc(OC)cc1 1861718691 OOWDTSNWRPAJAM-QHCPKHFHSA-N 434.621 5.006 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(O)c(O)c2)cc1 1862391449 ARYSTQIZIQOEBI-XMMPIXPASA-N 449.547 5.351 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@@H]2c2cc(Cl)cc(Cl)c2)cc1 1862394095 IJKYVRUZRSQYLJ-HXUWFJFHSA-N 432.347 5.934 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc(Cl)c1 1862432611 IVFBNOHWMHSTNW-HXUWFJFHSA-N 432.347 6.152 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccco2)cc1 1862512446 WDVCZHHHHWBKGN-HSZRJFAPSA-N 449.478 5.294 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1cccc(Cl)c1 1862527241 SRWWFOJCARKCIR-XIKOKIGWSA-N 448.744 5.479 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(Cl)cc1 1862591991 SNYJOLWGKYJQMQ-YFZFPPMRSA-N 425.912 5.203 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccccc1Cl 1862617807 KCXPMROZLCKAHR-NRFANRHFSA-N 425.956 5.872 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCCN3CCCC3)[C@@H]2c2ccccc2)cc1 1862661188 UGQNSHKLDKTUEH-RUZDIDTESA-N 446.591 5.264 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccc(Cl)cc2Cl)cc1 1862668441 ZAKQAHBDYOGZMD-HXUWFJFHSA-N 432.347 6.104 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(C(C)C)cc2)c1 1862678550 ODZORRLMHTWNFY-RUZDIDTESA-N 443.518 6.036 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2cccc(F)c2)cc1 1862686947 DFINXDJMKFABRE-WAIKUNEKSA-N 431.463 5.174 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc(C)c1 1862687357 JQXQRQTXFGFVLZ-DEOSSOPVSA-N 435.564 5.942 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2cccc(Cl)c2)cc1 1862689404 PYRVILYVLZQTDE-HJPURHCSSA-N 447.918 5.688 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccccc2Cl)cc1 1862689567 TXBDQAGVETYZES-ZAOYMGCJSA-N 439.939 5.506 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1c(F)cccc1Cl 1862737093 CSVMIKUEVKIHPA-IBGZPJMESA-N 446.862 5.012 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1c(F)cccc1Cl 1862737527 IHFBBANAJJUHJT-LJQANCHMSA-N 446.862 5.156 30 10 IKEE C=CCN1C(=O)C(Nc2cc(C)c(Br)cc2C)=C(c2ccc(C)c(C)c2)C1=O 1863259363 RAQFKBKDZXSCJF-UHFFFAOYSA-N 439.353 5.061 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(Cl)cc2)=C(c2ccc(F)cc2F)C1=O 1863311956 XZSKNOPCQSDREH-UHFFFAOYSA-N 446.925 6.171 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC[C@H]2CCCO2)=C(c2ccc(C)c(C)c2)C1=O 1863606715 LDNRVUFJGCZCOK-HSZRJFAPSA-N 440.628 5.293 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(N(CC)CC)cc1 1866030079 XTXIOMWMIDVPKY-UHFFFAOYSA-N 430.721 8.733 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)CCC2(c3ccccc3)CCCC2)c1 1866229057 WBARIACSRFPCMS-UHFFFAOYSA-N 436.555 6.328 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3cc4ccccc4nc32)nc(Cc2ccccc2)n1 1869067750 YZOYZVCTYNNYBZ-UHFFFAOYSA-N 433.559 5.488 30 10 IKEE CC(C)(C)c1cccc(-n2nnc(C#N)c2NC(=O)c2c(Cl)ccc(Cl)c2Cl)c1 1870153879 GIRFAQFMQMUSQS-UHFFFAOYSA-N 448.741 5.649 30 10 IKEE CCCCC1CCC(C(=O)Nc2c(C#N)nnn2-c2ccc(Oc3ccccc3)cc2)CC1 1870154567 YGKNJFPBXCNULV-UHFFFAOYSA-N 443.551 5.866 30 10 IKEE CCCCOc1cn(CCC(C)C)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870181979 DGPASZORFAFIOQ-UHFFFAOYSA-N 427.614 5.558 30 10 IKEE CCCCCCCCn1cc(OCc2cccc3ccccc23)c(=O)cc1CSCC 1870278114 XKBAOFUEJDNKEL-UHFFFAOYSA-N 437.649 7.194 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc(C)c2)cn1CCCCCCCC 1870620827 NNCYMLYESPHFAZ-UHFFFAOYSA-N 436.640 6.270 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2)c(=O)cc1CNc1ccccc1C 1870897975 CKUGLRSCKAWYKO-UHFFFAOYSA-N 432.608 6.708 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O3)CN([C@H]1CCCC[C@H]1C)CO2 1871351378 XNGDXWUEBJXMMV-DLVXKQBWSA-N 431.576 6.465 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc(OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c2C)C1=O 1871377264 CGTUDALWDIJQKP-DUTWELIKSA-N 447.468 5.508 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccco2)C3=O)cc1Cl 1871401760 LVWKGCZLISUCER-ZGFXFUDXSA-N 437.879 5.572 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccncc2)C3=O)cc1 1871450114 BSQYGTDESMZOBZ-HZRSJKMUSA-N 442.515 5.537 30 10 IKEE C=CCN([C@H](CCC)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 1871836594 RBPNKDYEDRSGKN-HSZRJFAPSA-N 428.598 5.103 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(Cl)c(C)c1)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872296504 NHACMPHQBYUSGS-JOCHJYFZSA-N 449.016 5.105 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1cccs1 1872497990 PDKXQLSSOHEFQX-GOSISDBHSA-N 441.018 5.084 30 10 IKEE Cc1cc(-c2csc([C@H](C#N)C(=O)COc3ccc(Cl)cc3Cl)n2)ccc1F 1872771814 CSIQYHDKCGSJNR-CQSZACIVSA-N 435.307 5.820 30 10 IKEE CC(C)(C)c1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3Br)n2)cc1 1872772207 AYOZJEVWCWINPJ-KRWDZBQOSA-N 439.378 6.360 30 10 IKEE COc1cc(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)nc3)n2)c(OC)cc1Cl 1872783230 UZOVOQZBEURLFI-GFCCVEGCSA-N 434.304 5.019 30 10 IKEE Cc1cc(C)c(-c2csc([C@@H](C#N)C(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)c(C)c1 1872785638 RVGMLMDLFCUTOQ-INIZCTEOSA-N 425.897 5.787 30 10 IKEE CCCOc1ccc(CC(=O)[C@H](C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc1 1872788736 PGDQLHIXWRBMQL-IBGZPJMESA-N 440.952 5.680 30 10 IKEE CCCCCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1 1872789365 HBSDXVHVOBAWPQ-QGZVFWFLSA-N 445.009 6.974 30 10 IKEE COc1ccc([C@H](C)NC(=O)c2ccc(CSc3nc(C)c(C)c(C)c3C#N)cc2)cc1 1872895418 SEMPGRSKMGWPHG-IBGZPJMESA-N 445.588 5.670 30 10 IKEE CCCCCCCCCCNC1=C(c2cccs2)C(=O)N([C@@H]2CCCC[C@@H]2C)C1=O 1873155911 MGLCOMNJTMCVPC-VQTJNVASSA-N 430.658 6.137 30 10 IKEE C=CCSc1nnc(CCc2ccc(OCC)c(OC)c2)n1/N=C/c1sccc1C 1874202136 MNDZNBWAOPTVOV-HZHRSRAPSA-N 442.610 5.001 30 10 IKEE CCCSc1nnc(COc2ccccc2Cl)n1/N=C/c1cc(Cl)ccc1O 1874267640 HXGNJNKDDLRCRI-SSDVNMTOSA-N 437.352 5.254 30 10 IKEE CCCSc1nnc(COc2ccc(OC)cc2)n1/N=C/c1c(F)cccc1Cl 1874293421 CEPXLPSJRSBHKL-FSJBWODESA-N 434.924 5.043 30 10 IKEE C=CCSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1ccc(N(CC)CC)cc1 1874321470 SWJQMXHUXFYQMJ-YZSQISJMSA-N 449.624 5.480 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(O)c(O)c1 1874394076 YCNGBVQPMVUKBJ-HEOQCTJZSA-N 448.523 5.155 30 10 IKEE CCCOC(=O)CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1ccc(Cl)cc1 1874398224 XHUUVAIYLUOTHI-HUSFYUSLSA-N 442.972 5.011 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2cccs2)n1/N=C/c1ccc(C(C)C)cc1 1874410566 ADEGPNXLKHAQEK-WGOQTCKBSA-N 446.645 6.537 30 10 IKEE Cc1ccc(CSc2nnc([C@H]3CCCO3)n2/N=C/c2cn(C)c3ccccc23)cc1 1874442184 VQTHPZFQFXABKW-FDCKDHBTSA-N 431.565 5.104 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2[C@H]2CCCO2)c1 1874451834 RAEKWKRLIZSTSF-CCYMUMOUSA-N 446.935 5.111 30 10 IKEE Fc1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2ccc(Cl)cc2Cl)cc1 1874452862 RIQOKVDEGWFEER-BRJLIKDPSA-N 449.382 6.556 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2[C@H]2CCCO2)c1 1874453253 FOXSYMMVYDBBBR-QVHMZZSFSA-N 430.936 5.405 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CCCC2)c(O)c1 1874457334 LNEAQYFTANGISW-FSJBWODESA-N 428.945 5.175 30 10 IKEE CC(C)(C)c1nnc(SCc2ccccc2Cl)n1/N=C/c1cccc([N+](=O)[O-])c1 1874484258 NCXLMTCSMUGBNF-WSDLNYQXSA-N 429.933 5.312 30 10 IKEE CCCSc1nnc(C2CC2)n1/N=C/c1ccc(OCc2ccccc2)c(OCC)c1 1874521022 XFHVZVCZDICDIE-PCLIKHOPSA-N 436.581 5.518 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1cccc(F)c1)c1ccc(-c2ccccc2)cc1 1874570196 RMILFRZYWUVCEB-FYWRMAATSA-N 442.917 7.621 30 10 IKEE COc1cccc(/C=C/C(=O)c2cccc(Br)c2)c1OCc1cccc(C)c1 1874575497 QGRMSDPHKKCRJU-OUKQBFOZSA-N 437.333 6.241 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(F)cc2F)c1OCC(=O)Nc1ccccc1F 1874576370 KAYJALVPAMUHKH-FMIVXFBMSA-N 441.405 5.026 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2nccs2)cc1 1874578143 YWEQJLOUGBOJEP-WEVVVXLNSA-N 442.924 5.109 30 10 IKEE CCOC(=O)c1ccc(COc2c(/C=C/C(=O)c3ccc(C)cc3C)cccc2OC)o1 1874578954 ORBBYDNYBUBMNQ-JLHYYAGUSA-N 434.488 5.557 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC)c1OCc1ccc(F)cc1 1874584943 JEGLJZRQCBOPCV-RVDMUPIBSA-N 448.534 6.616 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cc(Cl)ccc1OCc1ccccc1C 1874592311 JCJFLLYLJKHNQI-JXMROGBWSA-N 427.327 6.786 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OCC(=O)N[C@@H](C)c1ccccc1 1874595113 VFJUMOHDHIOISZ-SZEUEKNRSA-N 449.934 5.501 30 10 IKEE C=CCOc1c(Cl)cc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)cc1OCC 1874639807 PMOYOSOPCVBORG-CSKARUKUSA-N 432.900 5.225 30 10 IKEE COc1cccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)c1 1874694966 DTMGTSWBXBDIMD-DHZHZOJOSA-N 437.835 5.372 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2ccccc2)cc1OC(=O)C1CCCC1 1874700419 RJWDJPABGMCJQO-VAWYXSNFSA-N 429.310 5.449 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 1874705837 CFBXCOKMWBEBBF-FRKPEAEDSA-N 429.472 6.008 30 10 IKEE CC(C)(C)CC(=O)Oc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1Cl 1875078098 DIDMSRPUOPVXPX-OQLLNIDSSA-N 432.947 7.245 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)c(C)c3)c(Cl)c2)cc1 1875099885 DIQWDVZPIDQZNA-UKTHLTGXSA-N 432.947 6.563 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccc(Cl)cc3)c(OC)c2)cc1 1875102042 XDCSMMKBBLWRGY-OVCLIPMQSA-N 448.946 6.345 30 10 IKEE CCCCC(=O)Oc1c(OCC)cc(/C=C/C(=O)c2ccc(CC)cc2)cc1[N+](=O)[O-] 1875102685 AXDHLSBZNGREKN-SDNWHVSQSA-N 425.481 5.548 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OC(=O)CCc1ccccc1C 1875110542 PVIBLARXAMOJBC-NTCAYCPXSA-N 448.946 6.481 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccccc2OC)cc1[N+](=O)[O-] 1875119082 CUSPOTIHMNYILB-JQIJEIRASA-N 439.508 6.156 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)cc(Cl)c1OC(=O)c1ccccc1 1875119390 ROZBZKOKKVWLTN-BUHFOSPRSA-N 436.891 5.863 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)cc3)c([N+](=O)[O-])c2)ccc1F 1875141835 XTMFHNHYEFHQCV-ONNFQVAWSA-N 437.398 5.226 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(OC)c1OC(=O)CC(C)(C)C 1875154826 YGGQKDAGVIQLNG-FOCLMDBBSA-N 442.555 6.815 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)ccc1OC(=O)c1ccco1 1875164292 BKUMIAIPCNZMLG-OQLLNIDSSA-N 440.451 6.196 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc4cc(Cl)ccc4n3)cc2)cc1C 1875175968 PRMSWIIVLOGXLL-MKMNVTDBSA-N 441.914 6.620 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc(OC)c1OC(=O)CCCC 1875190450 JOMSOJSHUNIYML-FMIVXFBMSA-N 447.358 6.722 30 10 IKEE O=C(Nc1ccc(C(F)(F)F)c(Cl)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1889876079 SCPYIAAUHXKLAX-UHFFFAOYSA-N 435.673 6.649 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cccc(-c4cccc(F)c4)c3)ccc21 1891174891 VHGLCESOXJYXJJ-UHFFFAOYSA-N 444.506 5.683 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1C[C@H]2CC[C@H]1N(C(=O)OC(C)(C)C)C2 1922085218 HCXYXZLBFAFURU-UEQSERJNSA-N 428.617 5.163 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CN(C(=O)OC(C)(C)C)CCC12CCC2 1922087499 ZAYQBLPHZOEXGP-ZEQRLZLVSA-N 442.644 5.555 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1[C@@H](C2CC2)CCN1C(=O)OC(C)(C)C 1950328223 FYCVTHWZGMZNJG-TZRRMPRUSA-N 428.617 5.163 30 10 IKEE N#Cc1ccc([C@@H](CCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)s1 1951697542 PCEWWRDHVHGSCA-OAQYLSRUSA-N 432.501 5.064 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@]2(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1953300255 XXFVVEBFILEUGR-KYCQWFEFSA-N 441.572 5.009 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@]1(C#N)CCCN(Cc2ccccc2)CC1 1976794119 CHYLGHONZCNOLA-XMMPIXPASA-N 425.598 5.434 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C)([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)C1 2022134683 LYUZOWDQWLDSMX-FDDCHVKYSA-N 449.979 5.621 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(F)c(F)c2)=C(O)C(=O)N1Cc1cccs1 2033814488 UWGHSFCWINZOAQ-HXUWFJFHSA-N 425.456 5.113 30 10 IKEE C=C(C)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3[C@@](C)(CO)[C@H](O)CC[C@@]34C)[C@H]12 2037748619 RFCPTXGFYWKJJB-BPANJZRLSA-N 442.728 6.997 30 10 IKEE C=CCN1[C@@H]2CCCC/C(=N\O)[C@@]2(C)C[C@]12C(=O)N(Cc1ccccc1)c1ccccc12 2049375682 FBVIRTPBTVRDEH-CQNCLOFNSA-N 429.564 5.100 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)CC1(C)C 2065977837 ALOSQIVDSHODJN-RUZDIDTESA-N 443.588 5.666 30 10 IKEE CC(C)(C)OC(=O)N1CCCC2(C1)CC(C#N)(N(C(=O)OC(C)(C)C)C1CCCCC1)C2 2066143217 UEGGHYMDRASKIQ-UHFFFAOYSA-N 447.620 5.630 30 10 IKEE Fc1ccc(-n2nc(C3CCC3)c(Br)c2C(F)(F)F)nc1C(F)(F)F 2078867415 QLFBEFPFBLGAPT-UHFFFAOYSA-N 432.137 5.474 30 10 IKEE CCc1ccc([C@H](C2CCC2)n2nc(C(C)C)c(C#N)c2I)cc1 2079042165 FMRHRFSNLWGUAF-IBGZPJMESA-N 433.337 5.435 30 10 IKEE CCCc1ccc([C@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C(C)(C)C)cc1 2079879905 KTPGRCYFZKVYMD-IBGZPJMESA-N 432.406 6.093 30 10 IKEE Cc1nn([C@H](c2ccc(C(F)(F)F)cc2)C2CCC2)c(I)c1C#N 2080031282 ZWEBEIQVSSRRSO-HNNXBMFYSA-N 445.226 5.076 30 10 IKEE Nc1c2c(nc3c(-c4ccc(C(F)(F)F)c(F)c4)c(C(F)(F)F)nn13)CCCCC2 2081512276 AANXADGGGWODSO-UHFFFAOYSA-N 432.343 5.424 30 10 IKEE C#CCN(C[C@@H](NCCC)c1c(Cl)ccc(Br)c1F)C(=O)OC(C)(C)C 2122144009 WYKIFTHZKKHOBD-OAHLLOKOSA-N 447.776 5.153 30 10 IKEE C=CCC1([C@H](NCCC)c2cccc(Br)c2C)CN(C(=O)OC(C)(C)C)C1 2203687038 OTIWRHJBEICXAM-LJQANCHMSA-N 437.422 5.611 30 10 IKEE C=C(C)CC[C@H](NCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229107128 GFFPYULGFVRFHV-RBUKOAKNSA-N 425.411 5.219 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)C=Cc1ccccc1 2237418931 VUNMDLIKFUARLV-IBGZPJMESA-N 430.342 5.167 30 10 IKEE C=C1C[C@H]1C[C@H](NCCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237433792 PUWQWEVRGBFSTL-IHPCNDPISA-N 437.422 5.219 30 10 IKEE C#C[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2243919631 WHVCFNRTZIYFLH-FNZWTVRRSA-N 446.591 5.104 30 10 IKEE Cc1sc(C(=O)N(Cc2ccccc2)[C@H](C)C(C)C)cc1B1OC(C)(C)C(C)(C)O1 2247823494 NNIXLQLESQZQAS-QGZVFWFLSA-N 427.419 5.043 30 10 IKEE C=CC[C@]1(COc2ncc(Br)cc2Cl)CCCN1C(=O)OC(C)(C)C 2259592848 XJNVBTAOAOOMKV-GOSISDBHSA-N 431.758 5.222 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)c1sc(Cl)cc1Br 2262199445 IJKZDJLOQYAFHQ-QGZVFWFLSA-N 445.762 5.469 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)c1cc(Br)ccc1Cl 2275823096 CGFBANSYQYPSNZ-FQEVSTJZSA-N 439.733 5.408 30 10 IKEE CC(C)c1cc(Br)cc([C@H](C#N)N(C[C@H]2CCCO2)C(=O)OC(C)(C)C)c1 2280730474 KPHOPGFGTHDWMZ-MOPGFXCFSA-N 437.378 5.553 30 10 IKEE CC(C)N(CC1CCN(C(=O)OC(C)(C)C)CC1)c1c(Br)cccc1C#N 2285190123 OUBQPXNZHSZNGM-UHFFFAOYSA-N 436.394 5.183 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2c(Br)cccc2C#N)C[C@@H]1C(F)(F)F 2285241802 SLYWFFDQFCKZGR-TZMCWYRMSA-N 448.283 5.063 30 10 IKEE C[C@@H](N=Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)c1ccccc1 2295880062 NHIVKJVPLGQPJF-DJUQAAIZSA-N 429.567 7.222 30 10 IKEE COCCCN1C(=O)C(=O)C(=C(O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 2296124545 IEELTGDAKUDOCY-NRFANRHFSA-N 441.955 5.096 30 10 IKEE Cn1cc(C=C2SC(=Nc3ccc(Cl)cc3C(F)(F)F)NC2=O)c2ccccc21 2296275694 QAEOOFFUBDWXLJ-UHFFFAOYSA-N 435.858 5.742 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)c1cccc(NC(=O)OC(C)(C)C)c1 2296308597 KJGRIRDFSBNOER-HXUWFJFHSA-N 429.358 5.498 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)C(CC)(CC)NC(=O)OC(C)(C)C 2296311175 SXQJZLOIPMKEBG-IBGZPJMESA-N 437.422 5.252 30 10 IKEE CCCCCCCCCCOc1ccc(C2=NC(=Cc3ccc(Cl)cc3)C(=O)O2)cc1 2297297493 NNULKDGWZUHJGQ-UHFFFAOYSA-N 439.983 7.204 30 10 IKEE FC1CC(CS)(CSc2cc(I)ccc2Br)C1 2300806085 WZGCIHXZTWNYEJ-UHFFFAOYSA-N 447.176 5.194 30 10 IKEE C[C@H]1CCc2c(sc(NC(=S)NC(=O)C=Cc3ccc(-c4ccccc4)o3)c2C#N)C1 2313785484 XJHHLEGAINYBIS-HNNXBMFYSA-N 447.585 5.531 30 10 IKEE COc1cc(Br)cc(C=NNc2nc(-c3ccc(F)cc3)cs2)c1OC 2318417993 MLTRXZFLHJDHRZ-UHFFFAOYSA-N 436.306 5.175 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@]2(C)CCCCN2C(=O)OC(C)(C)C)c1 2318945698 BSXLONRVWGRSTJ-NBGIEHNGSA-N 443.588 5.808 30 10 IKEE COc1ccc(C=C2Oc3c(ccc4c3CN(Cc3ccc(Cl)cc3)CO4)C2=O)cc1 2321955287 CFWZAQLVGGSIGE-UHFFFAOYSA-N 433.891 5.317 30 10 IKEE COc1ccc(OC)c(C=C2Oc3c(ccc4c3CN(C3CCCCCCC3)CO4)C2=O)c1 2322177542 FBTKQOYHHVJGCA-UHFFFAOYSA-N 449.547 5.585 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Br)ccc2OCc2ccccc2C)cc1 2322353500 KFVLJNATRMEIFI-UHFFFAOYSA-N 435.361 6.795 30 10 IKEE Cc1ccc(C(=O)C=Cc2c(OCC(=O)Nc3ccc(C)cc3C)ccc3ccccc23)cc1 2322586410 ZYMSVTBXRFLOCV-UHFFFAOYSA-N 449.550 6.679 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2ccccc2C)c1 2322617454 MQHDJEPNLPTBEE-UHFFFAOYSA-N 433.935 6.179 30 10 IKEE COc1cc(C=NNc2nc3ccccc3s2)cc([N+](=O)[O-])c1OCc1ccccc1C 2323153786 IJTIJRIVBPLWQW-UHFFFAOYSA-N 448.504 5.547 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc([N+](=O)[O-])c(C)c4)c3C)C2=O)cc1 2323279830 WAMBADKEESXGCZ-UHFFFAOYSA-N 429.428 5.355 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(OC)cc2)C3=O)cc1 2323370670 CKZASLRWQUUCNZ-UHFFFAOYSA-N 444.483 5.167 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(OC)c2)ccc1OCc1cccc(F)c1 2323459032 QFFPXRMMJLKVIB-UHFFFAOYSA-N 436.479 5.717 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 2323557330 XTKNTJLMUPXMAH-UHFFFAOYSA-N 434.963 7.166 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1C 2323559936 WTVZDMPQARJHSG-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc(OC(=O)CCc3ccccc3)c2C)C1=O 2323724291 WEXNHEJMJXQPLU-UHFFFAOYSA-N 428.484 5.548 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1 2323790733 GFLWEFHWWZHDMJ-UHFFFAOYSA-N 428.484 6.044 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OC(=O)c4ccc(OC(C)C)cc4)c3C)C2=O)c1 2323813758 ZBKMQZYQBARNOU-UHFFFAOYSA-N 444.483 5.626 30 10 IKEE Cc1ccc(-c2csc(NN=Cc3ccc(OCc4ccccc4)c(Cl)c3)n2)cc1C 2323840390 XFFWEMRTMWTRHZ-UHFFFAOYSA-N 447.991 7.105 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OCc3ccc(C)cc3)c(OC)c2)cc1F 2324110031 MEFBZCVEJBKOEF-UHFFFAOYSA-N 436.479 5.635 30 10 IKEE N#Cc1cccc(C(=O)N2CC=C(c3ccc(OC(=O)C=Cc4ccccc4)cc3)CC2)c1 2324391806 WGYNUWZSLYZGFC-UHFFFAOYSA-N 434.495 5.107 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OCc2cccc(Cl)c2)cc1 2324505012 RPKNNPDLOAUXLK-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE Cc1ccc(COc2ccc(C=CC(=O)c3c(C)cc(C)cc3C)cc2Br)cc1 2324553346 FKANCGGWCVYGTL-UHFFFAOYSA-N 449.388 7.158 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)ccc1OCCCO 2324599178 KZAYHCOSISNTMB-UHFFFAOYSA-N 425.308 5.058 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)cc1C 2324651260 HVWSKXGEXDYCQC-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(C(C)C)cc3)n2)c(C)c1C 2324706380 ZKWCHRULQDNGBT-JOCHJYFZSA-N 430.573 6.449 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(OC)cc3)n2)c(OCC)c1 2324765269 ILJHHRMVJCTGRE-NRFANRHFSA-N 448.544 5.506 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc3ccccc3c2)cc2c1C(=O)C(=Cc1ccccc1)O2 2324959858 CUPLGKHLRPLUIB-UHFFFAOYSA-N 435.479 5.782 30 10 IKEE CC(=O)c1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2324982546 CJBLLENJFXZIJO-UHFFFAOYSA-N 447.874 5.176 30 10 IKEE CCc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2325722242 IUJUMESQKDCCDH-UHFFFAOYSA-N 433.891 5.536 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc4cc(Cl)ccc4n3)c2)cc1 2325738626 DYZZEECFPSARDX-UHFFFAOYSA-N 427.887 6.312 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1OC(=O)[C@@H](C)c1ccccc1 2325745053 KACISFRUNWJHRI-SFHVURJKSA-N 444.483 5.072 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1)c1ccc(F)cc1 2325751422 SCUPZUGHSMGMMH-UHFFFAOYSA-N 425.799 5.503 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)C3(c4ccc5c(c4)OCO5)CC3)c2)cc1C 2325760647 RKHDXTRARMOVNH-UHFFFAOYSA-N 440.495 5.565 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC(=O)c2ccc(N(C)C)cc2)c1 2325765838 RVLKWGHGOPQHJK-UHFFFAOYSA-N 441.571 6.474 30 10 IKEE C=CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1cccs1 2325905632 MFLJXEVOBLDJIN-UHFFFAOYSA-N 426.611 5.685 30 10 IKEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C2(CCCC2)C1 2326076696 QMFMDBGQKYNZLQ-SANMLTNESA-N 442.600 5.232 30 10 IKEE CCCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccccc1O 2326141943 FWZPBMLIINGBPJ-UHFFFAOYSA-N 430.961 5.217 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1c(C)n(CC)c2ccccc12 2326251935 GXZYOYMVOIEGFD-UHFFFAOYSA-N 435.572 5.827 30 10 IKEE CCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1c[nH]c2ccccc12 2326589301 RYKDXAQTRCZPOW-UHFFFAOYSA-N 425.561 5.692 30 10 IKEE CCCOc1ccc(C=Nn2cnnc2SCc2cccc(F)c2)cc1Br 2326725894 JKVCHJWPZQCZDH-UHFFFAOYSA-N 449.349 5.143 30 10 IKEE CCCOc1ccc(C=Nn2c(CCc3ccc(Cl)cc3)nnc2SCC)cc1 2328051389 MALUFCUFEIWKDR-UHFFFAOYSA-N 428.989 5.500 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3F)n2N=Cc2cccn2C)c(C)c1 2328898942 GHABKGRMOXILDI-UHFFFAOYSA-N 449.555 5.126 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccc(C)cc3)n2N=Cc2ccccc2O)cc1 2329242405 RLMJVWYFLPXFQA-UHFFFAOYSA-N 444.560 5.066 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2cccc(OC)c2)cc1 2329277285 ZOKDIKJXTRZTEH-UHFFFAOYSA-N 444.560 5.061 30 10 IKEE C=CCSc1nnc(CCc2ccccc2C)n1N=Cc1ccc(OCCCC)cc1 2329500059 QJBDEMUROKJPOP-UHFFFAOYSA-N 434.609 5.711 30 10 IKEE COc1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2-c2ccccc2)cc1OC 2330645523 KTDZIAXZOCZVFW-UHFFFAOYSA-N 444.560 5.445 30 10 IKEE CCSc1nnc(CC(C)(C)C)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2330833121 YCRGTYCCQVETLH-UHFFFAOYSA-N 443.016 6.093 30 10 IKEE O=C(Cc1cccs1)Oc1ccc(C=CC(=O)c2cccc(Br)c2)cc1 2330994175 WHWVHFWLFKBFDM-UHFFFAOYSA-N 427.319 5.555 30 10 IKEE Clc1ccc(CSc2nnc([C@H]3CCCO3)n2N=Cc2cccnc2)c(Cl)c1 2330999171 JRBFVHVIBAWIIH-QGZVFWFLSA-N 434.352 5.006 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(C2CCCC2)n1N=Cc1ccccc1C 2331030722 IFDYOFKPBMPJMN-UHFFFAOYSA-N 447.608 5.420 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)Cc1cccs1 2331085404 BOOHNXZROJQOAP-UHFFFAOYSA-N 444.455 5.088 30 10 IKEE Clc1cccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CCCC2)c1 2331085495 TZBNNSCTMONJEC-UHFFFAOYSA-N 447.007 6.917 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1OCC 2331101328 TYEWVAFSXSFTHM-UHFFFAOYSA-N 444.518 6.916 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OC(=O)c1ccc(F)c(F)c1 2331108821 YRGWLMYGAUSCQG-UHFFFAOYSA-N 430.353 5.367 30 10 IKEE C=C(C)CSc1nnc(C(F)(F)F)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2331134692 RMHCXTVGFQJGLG-UHFFFAOYSA-N 446.454 5.067 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)cc1)c1ccc(Cl)cc1 2331141886 YBQZOKMWUIIYSF-FCHUYYIVSA-N 437.322 6.599 30 10 IKEE Cc1cccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C(F)(F)F)c1 2331149941 AQGFUWJVNXYLSR-UHFFFAOYSA-N 426.467 5.933 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1 2331154443 HXNLXFBEMHOTPZ-UHFFFAOYSA-N 441.310 6.507 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)c1sccc1C 2331214715 QIKRAAIVAYEMOI-UHFFFAOYSA-N 440.948 6.451 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)CC(C)(C)C)c(Br)c2)c(C)c1 2331224583 NLODVHAQYMXOJW-UHFFFAOYSA-N 429.354 6.304 30 10 IKEE CCC(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1Br 2331242768 JOHQKVBGFMOSTH-UHFFFAOYSA-N 428.109 5.967 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)Cc1ccc(C)c(C)c1 2331259799 BJCMCNFQNBMNLJ-UHFFFAOYSA-N 444.527 5.673 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)CSc3ccccc3)c(Cl)c2)ccc1F 2331336146 PYZOOZNXRYFUSX-UHFFFAOYSA-N 440.923 6.381 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)cc(Cl)c1OC(=O)C(C)(C)C 2331402377 ULNUXCLYIMFZRP-UHFFFAOYSA-N 444.911 5.358 30 10 IKEE COCCC(=O)Oc1ccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1OC 2331601799 YAROEHVJQJNEEO-UHFFFAOYSA-N 432.472 5.326 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Oc2cc(C#N)sc2[N+](=O)[O-])ccc1Br 2344223149 IYCBNJDJULIANU-UHFFFAOYSA-N 440.275 5.430 30 10 IKEE C=CCCCCCCCCOc1cc(NC(=O)OC(C)(C)C)ccc1Br 2344318811 RWQGYFAGXALBQZ-UHFFFAOYSA-N 426.395 7.092 30 10 IKEE OCCC#Cc1ccc(CN(Cc2ccccc2)C2CCCCC2)cc1Br 2377423222 VXQQTRARSDZENO-UHFFFAOYSA-N 426.398 5.518 30 10 IKEE C=CCNC(=O)c1cccc2c1N[C@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CC=C[C@@H]21 20703392 AOGSDGIGTFTVIZ-FKCDAAJZSA-N 436.555 6.008 30 10 IKEE Cc1cc(C)cc(N/C(=N\C(=O)c2ccc(C)c(F)c2)NCCc2c[nH]c3ccccc23)c1 32943219 AEHYHGDDEDSEAU-UHFFFAOYSA-N 442.538 5.673 30 10 IKEE COc1cc(/C=C2\CCC/C(=C\c3cc(O)c(OC)c(Cl)c3)C2=O)cc(Cl)c1O 33457454 TYDRJXNCYVKYQC-MKFXEVHTSA-N 435.303 5.642 30 10 IKEE N#Cc1ccc(CSc2nnc(-c3ccco3)n2-c2cccc(C(F)(F)F)c2)cc1 35839958 TUMBRIXGVNKHJC-UHFFFAOYSA-N 426.423 5.710 30 10 IKEE CC[C@H](C)n1c(O)c(C(=O)c2sc3cc(Cl)ccc3c2Cl)c(C)c(C#N)c1=O 38617232 UYXRCCPXNQTQIQ-VIFPVBQESA-N 435.332 5.458 30 10 IKEE C=CCOc1ccccc1/C=C1\S/C(=N/c2cccc(C)n2)N(c2ccccc2)C1=O 39863521 UJVWSOVOLHQTJH-VDQWIUFOSA-N 427.529 5.763 30 10 IKEE Cc1nnc(/N=C2/S/C(=C\c3cn(C)c4ccccc34)C(=O)N2C2CCCCC2)s1 39866524 DQKSZJCEUSRYGI-POJNRUHKSA-N 437.594 5.275 30 10 IKEE C=CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cccc(Cl)c2)cc1 39872398 WPAPYHPDMYEPGK-HSZRJFAPSA-N 443.886 5.761 30 10 IKEE Cc1ccccc1CSc1nnc(N/N=C/c2ccc(OCc3ccccc3)cc2)[nH]1 59309658 CMVOKXVBIQDFME-MFKUBSTISA-N 429.549 5.430 30 10 IKEE C(=N/c1cccc2c(/N=C/c3cccc4ccccc34)cccc12)\c1cccc2ccccc12 59457266 RCTZZWBDMMUEAP-WXGDAXOSSA-N 434.542 8.647 30 10 IKEE Cc1ccc(Cl)cc1N/C(=N/C(=O)c1ccc(F)cc1)NCCc1c[nH]c2ccccc12 66437728 LJRVCCMRHQIBQC-UHFFFAOYSA-N 448.929 5.709 30 10 IKEE COc1cc(/C=C/C(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccc2)ccc1OCC#N 72001757 DPZVORPXVBAIDW-XFKHSMSJSA-N 446.934 5.364 30 10 IKEE CC/C(C)=N/Nc1nc2cc(C)c(NC(=O)c3ccc(-c4ccccc4)cc3)c(C)c2s1 78397745 KOKAIYIALCHRET-STBIYBPSSA-N 442.588 7.030 30 10 IKEE COc1cccc(CO/N=C(\C)c2cc(-c3ccccc3)n(-c3ccc(F)cc3)c2C)c1 97629515 JMZKNSPDSZCKBS-VUTHCHCSSA-N 428.507 6.541 30 10 IKEE CCCCCCCOc1ccc(CNCc2cccc(C)c2)c(OCCCCCCC)c1 100044746 LYVLXSSEISYHLA-UHFFFAOYSA-N 439.684 7.983 30 10 IKEE FC(F)(F)c1ccc(/C=N/n2c(-c3cccs3)cs/c2=N/Cc2ccccc2)cc1 103454667 HPWKOALQPDYHOM-MNPZXGDZSA-N 443.519 6.280 30 10 IKEE CCCCCCCCOc1ccc(/C=N/Nc2c3ccccc3nc3ccccc23)cc1 103723166 CRPFRXQULFSBSB-XHLNEMQHSA-N 425.576 7.573 30 10 IKEE C=CC/N=c1/scc(-c2ccc(Br)s2)n1/N=C/c1ccc(OC)cc1 105759997 SHAZRIANVZTIKE-VBCBBWKMSA-N 434.384 5.018 30 10 IKEE N#C[C@H](C(=O)c1cc(Br)ccc1Br)c1c(Cl)cccc1Cl 160716609 KFYCUNWBWLPEBE-JTQLQIEISA-N 447.941 6.008 30 10 IKEE Cc1ccc(COc2ccccc2/C=N\Nc2cnn(-c3ccccc3)c(=O)c2Cl)cc1 169894915 KTLALGVDNCGNIA-DICXZTSXSA-N 444.922 5.219 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc(C)cc2)=C(O)C(=O)N1c1cc(C)cc(C)c1 169941184 QAHIKEQODFFQSI-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3ccc(OC)cc3OC)cs2)cc(Cl)c1O 169942152 CITKMARSZQIDPE-YVNNLAQVSA-N 433.917 5.031 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@@H]1c1ccc(O)cc1 169960610 VYVIFFGZNIQCFX-XMMPIXPASA-N 443.499 5.109 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2cccc(C)c2)c1 169966476 ZJWHGCNUAZNJAE-QHCPKHFHSA-N 447.918 5.830 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccc(N(C)C)cc2)c1 169966806 SPIDLXJUQBQPSP-RUZDIDTESA-N 440.543 5.461 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccc(F)c(F)c2)c1 169968328 OCMMBNRYPFTWON-QHCPKHFHSA-N 433.454 5.673 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3O)[C@H]2c2cccs2)c1 169987346 LZOJTZIZOWBVNU-FQEVSTJZSA-N 439.920 5.507 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@@H]2c2ccccn2)cc1 169992266 OLCJMANPGGPLSV-HSZRJFAPSA-N 426.516 5.470 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccccc2)cc1 170028914 GXFQUASQALHHBT-HSZRJFAPSA-N 431.463 5.316 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(O)c(Cl)c1 170040969 ORCFOJPXANSUPJ-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccc2F)cc1C 170072542 QMFQQXOMDYQIMY-QHCPKHFHSA-N 449.453 5.060 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cn(C)c3ccccc23)c(C)c1 170085601 UPTBICZEYYQMMW-DEOSSOPVSA-N 444.531 5.016 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(N(C)C)cc1 170128948 GQUWCZCRSCXYNJ-DEOSSOPVSA-N 428.532 5.284 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2ccc(F)cc2)c1 170140597 JITQJUSTBSXJEC-RUZDIDTESA-N 437.470 6.070 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2cccc(C)c2)cc1 170142186 IFKHRQQPASFYKV-AREMUKBSSA-N 433.507 6.240 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1OC(C)C 170150974 CBKCCNDEFRPUQI-VWLOTQADSA-N 443.543 6.005 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(C)c4)[C@@H]3c3ccccc3)oc12 170224163 XTOGJMMJUQTXDW-HSZRJFAPSA-N 439.467 5.533 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccccc2)c1C 170225988 IQQMDXFVYLHOKW-NSYGIPOTSA-N 439.511 5.410 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccccc1 170228924 SQSWMQCSBKWFBT-MZNJEOGPSA-N 425.484 5.101 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccccc2)cc1 170229571 MAFUHRVYYMMKCN-QHCPKHFHSA-N 449.453 5.535 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@H]1c1ccc(Cl)cc1 170236643 YWMGYCJNXFPLBJ-OAQYLSRUSA-N 441.955 5.734 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1cccc(O)c1)c1ccc2ccccc2c1 170258249 OSVOAQKPLJIOLN-XMMPIXPASA-N 439.442 5.467 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2ccco2)s1 170284470 MQHPSUVRUDKKJN-QGZVFWFLSA-N 428.897 5.098 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@@H]1c1ccco1 170285808 YDWWSUDQNAUFDN-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccco2)cc1C(C)C 170286153 ANKMDBRQWOIOTO-QHCPKHFHSA-N 431.488 5.585 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@@H]1c1ccc(C)o1 170302366 QNEGCDISSGMCJV-HSZRJFAPSA-N 445.515 5.613 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cn(C)c3ccccc23)cc1 170394648 YHEYALAKRFAUHM-QHCPKHFHSA-N 442.540 5.585 30 10 IKEE CCOc1cc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(Cl)cc2)ccc1OC 170440617 VRMSGBWWGFSXMO-FQEVSTJZSA-N 443.927 5.263 30 10 IKEE C(=NN1CCN(c2ccccn2)CC1)C1=C(Sc2nc3ccccc3s2)CCCC1 252678030 CNHFBRBHWKWDPA-UHFFFAOYSA-N 435.622 5.420 30 10 IKEE Cc1cc(C=Nc2ccc(O)c(-c3nc4ccccc4o3)c2)c(O)c(Br)c1C 254507988 WGIFIIJBOBXXLL-UHFFFAOYSA-N 437.293 6.036 30 10 IKEE CC(C)COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccc(O)c2)c1 526604306 HELDHJKSGAVKCC-VWLOTQADSA-N 440.499 5.356 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(Cl)c1 526606713 NSOMOOGEODCWEP-NRFANRHFSA-N 437.282 5.628 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1cc(Cl)c(OC)c(OC)c1 526802331 GATUMSUFADOGJE-MSXFZWOLSA-N 448.951 5.215 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1ccccc1Cl 526814347 FPJJRKKMJMTETG-KSEXSDGBSA-N 439.799 6.365 30 10 IKEE CCOc1ccc(NC(=O)c2ccc(NC(=O)Nc3cccc(C#N)c3)cc2)cc1OCC 586721842 FJUQGCNWQBNTDT-UHFFFAOYSA-N 444.491 5.252 30 10 IKEE CC(C)[C@@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Br)CC1 698456247 MNYNKYPENNIYKM-VGSWGCGISA-N 435.406 6.689 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2cccc(Br)c2Cl)c1 706511491 NZFWFUPKFPXIEE-QGZVFWFLSA-N 435.749 6.417 30 10 IKEE CN1/C(=C\C=Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)C(C)(C)c2ccccc21 886012549 CMHKVMMLGPQRCO-XKQRVWCESA-N 443.550 7.499 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)CSc2n[nH]c(NN=C(C)/C=C/c3ccccc3)n2)cc1 1083891819 MGHIRDILGNCZOX-QBKPGCCBSA-N 448.596 5.550 30 10 IKEE C=CCOC(=O)/C=C\c1cc(Cl)c(OCc2ccccc2F)c(Br)c1 1083915944 SEHPSBIDGCSNGO-FPLPWBNLSA-N 425.681 5.563 30 10 IKEE COc1ccc(Oc2ccc(C(F)(F)F)cc2N=Cc2cccc([N+](=O)[O-])c2O)cc1 1084136319 DLKAOBGYMQMYEP-UHFFFAOYSA-N 432.354 5.871 30 10 IKEE CC(=NNc1nc(S[C@H](C)c2nnc(C3CCC3)o2)n[nH]1)c1ccc2ccccc2c1 1084384443 VTTCTKNTJMDVAP-CQSZACIVSA-N 433.541 5.298 30 10 IKEE N#C[C@@H](c1ccc(Br)cc1F)C1CCN(C(=O)OCc2ccccc2)CC1 1614721470 UBRRVMOTOXIHKB-LJQANCHMSA-N 431.305 5.244 30 10 IKEE Cc1ccc(-n2c(C)cc3c2CC(C)(C)CC3=NOC(=O)c2cccc(Cl)c2)cc1C 1772728702 VAZIUFLSEKBOSD-UHFFFAOYSA-N 434.967 6.589 30 10 IKEE Cc1c(C(=O)Oc2cccc3cccnc23)oc2c1C(=NNc1ccccc1)CC(C)(C)C2 1772729388 MDZMGSGBRCAELJ-UHFFFAOYSA-N 439.515 6.144 30 10 IKEE Nc1cnc(-c2c(F)c(F)c(F)c(F)c2F)c(-c2c(F)c(F)c(F)c(F)c2F)c1 1848358317 OCZZHWLPCKEJKA-UHFFFAOYSA-N 426.213 5.389 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccc2OCc2cccc(Cl)c2)c1 1858730862 WPNDRQPQFFYIFG-UHFFFAOYSA-N 435.955 6.404 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc3c(OC(=O)/C=C/c4cccc(F)c4)cccc23)c1 1858929923 JFBAZLHTNGMCEX-BUHFOSPRSA-N 436.442 5.722 30 10 IKEE COc1ccc2c(=O)c(-c3ccccc3)c(C(=O)Nc3sc4c(c3C#N)CCC4)oc2c1 1859759745 SOETYYNHKVWYGD-UHFFFAOYSA-N 442.496 5.143 30 10 IKEE CCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)c1cc(C)n(-c2cccc(Cl)c2)n1 1860940430 GKUXKPUWSPLZFR-XMMPIXPASA-N 447.023 5.209 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)[C@H](C)Oc1ccc(Cl)cc1 1861669624 KWFZMUXCANGLOZ-YADARESESA-N 439.040 5.649 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)CCCOc1ccc(OC)cc1 1861716536 BYOFAZIQTVVUAA-DEOSSOPVSA-N 446.632 5.102 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@@H]1c1cccc(F)c1 1862391016 QSDYNSCVIJCDKZ-DEOSSOPVSA-N 437.555 6.327 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2cccc(F)c2)cc1C 1862401801 KDERHZHTTVCXCC-OFSQETHSSA-N 437.511 5.300 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@@H]2c2ccccc2C)cc1 1862475756 UEJAQZVVASCPAP-HSZRJFAPSA-N 431.919 5.735 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2ccc(Cl)cc2)cc1 1862476568 LYVLZEVPEVPFHX-NRFANRHFSA-N 437.948 5.531 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(OC)cc1 1862489079 ONHDHUIOIYBPQS-VWLOTQADSA-N 449.591 6.251 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2cc(Cl)cc(Cl)c2)ccc1F 1862507884 BHMMDQUCSXLAOI-IBGZPJMESA-N 436.310 5.675 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCCc2ccccc2)c1 1862508020 XINDOQPTDCRILA-RUZDIDTESA-N 443.518 5.654 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccccc2)cc1 1862614407 CGJUUWDNLTUTJU-XMMPIXPASA-N 431.576 6.285 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2Cc2cccs2)cc1 1862615232 JYOOPAICMUCBKT-HSZRJFAPSA-N 445.584 6.133 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862679391 ZSAJBIITNYRNKE-VWLOTQADSA-N 443.518 6.036 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2c(F)cccc2Cl)c1 1862705345 VUHSKOQLSWOJKR-HXUWFJFHSA-N 431.891 5.112 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(F)cc1F 1862711922 FWZKIDUJDVHVGV-HSZRJFAPSA-N 435.470 5.887 30 10 IKEE CCCCc1ccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862769443 ZACZDVXZJBCZTI-UHFFFAOYSA-N 439.490 5.437 30 10 IKEE N#Cc1cnn(-c2ccccc2F)c1NC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 1866108377 AMBGDMPXBDKGOP-UHFFFAOYSA-N 444.853 5.020 30 10 IKEE C=CCOc1cn(C[C@@H]2CCCO2)c(CNc2ccc(-c3ccccc3C)cc2)cc1=O 1870810954 ZTEXZLWKOBUWGF-DEOSSOPVSA-N 430.548 5.180 30 10 IKEE O=C1/C(=C/c2c(F)cccc2Cl)Oc2c1ccc1c2CN(C2CCCCCC2)CO1 1871347687 QABXKJSUNCLORS-UUYOSTAYSA-N 427.903 5.970 30 10 IKEE CC(C)(C)c1ccc(/C=C2\Oc3c(ccc4c3CN(CCCn3ccnc3)CO4)C2=O)cc1 1871348932 DLWVHVWCZSGCSF-IWIPYMOSSA-N 443.547 5.039 30 10 IKEE Cc1c(OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)ccc2c1O/C(=C\c1ccc(F)cc1)C2=O 1871381989 IRKBBUJAHPZPRA-ZSFYTNPESA-N 445.402 5.277 30 10 IKEE Cc1cc(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc2c1C(=O)/C(=C/c1cccs1)O2 1871383796 PBCPYRJRVLCLII-ZDLGFXPLSA-N 441.848 5.454 30 10 IKEE CCCCN(CCCC)Cc1c(O)cc(C)c2c1O/C(=C\c1cccc(Cl)c1)C2=O 1871393472 OSKSLUBZBBIOGP-JCMHNJIXSA-N 427.972 6.372 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCCOc4ccccc4F)cc(C)c3C2=O)cc1 1871417434 URRBPNLKHONBSJ-IWIPYMOSSA-N 434.463 5.607 30 10 IKEE CCOC(=O)c1ccc(COc2ccc3c(c2C)O/C(=C\c2ccc(C(C)C)cc2)C3=O)o1 1871439182 MEJDJYMWIUYVKS-OYKKKHCWSA-N 446.499 6.083 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccc(CC)cc3)ccc2C1=O 1871454776 XHYMTPNUIVLCFR-MYYYXRDXSA-N 443.499 5.281 30 10 IKEE CCCCCCCCN=c1nc(N2CCCCC2)[nH]c(=Nc2cccc(C(C)(C)C)c2)[nH]1 1871642191 ITQWEJIGLISZIE-UHFFFAOYSA-N 438.664 5.519 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)S(=O)(=O)C1CC1 1872324258 KNUWXUIMWVKGJJ-DEOSSOPVSA-N 448.673 5.657 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)c(Cl)c3)n2)c(C)c1C 1872777998 AXSUAHQRYJBCBY-OAHLLOKOSA-N 431.344 6.232 30 10 IKEE N#C[C@H](C(=O)Cc1ccccc1Cl)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872779790 RGUCLWUJBDZNSP-OAQYLSRUSA-N 444.943 6.675 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3Cl)n2)c(OCC)c1 1872784909 ZWNOXHPVWPOWKV-QGZVFWFLSA-N 426.925 5.751 30 10 IKEE CCOc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 1872787787 REIMMLLGFZCSRG-QGZVFWFLSA-N 431.344 5.935 30 10 IKEE CCCCCCCSc1nc2ccc(C(=O)N3CCC[C@@H](C(=O)OCC)C3)cc2[nH]1 1872823827 SCWDOSPDOWXTEG-GOSISDBHSA-N 431.602 5.041 30 10 IKEE CCCCCCCCN1C[C@H](C(=O)N2CCC(c3nc4ccccc4s3)CC2)CC1=O 1873017464 SEFWTKWOOMBAGX-HXUWFJFHSA-N 441.641 5.211 30 10 IKEE CCCCCCCCNC1=C(c2cccc(OC)c2)C(=O)N(CCc2cccs2)C1=O 1873047710 LBDRPVZIGRYREO-UHFFFAOYSA-N 440.609 5.029 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873170098 OBUFMEHHNUJKLV-UHFFFAOYSA-N 449.639 5.924 30 10 IKEE Cc1cc(C)c(C2=C(Nc3cccc(C#N)c3)C(=O)N(Cc3ccccc3F)C2=O)c(C)c1 1873327123 HQLYEMSHDZLIHE-UHFFFAOYSA-N 439.490 5.015 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)c(Cl)c2)cc2c(NCCC(C)C)ncnc21 1873610655 ANNBWXRXTACZOE-UHFFFAOYSA-N 432.355 5.634 30 10 IKEE C=CCSc1nnc(Cc2ccc(OCC)cc2)n1/N=C/c1ccccc1OC(C)C 1874303217 NSROTZJOMXOGFF-KOEQRZSOSA-N 436.581 5.215 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2sccc2C)cc1 1874303952 ZOXXBJXBYCLUMO-PCLIKHOPSA-N 448.617 5.812 30 10 IKEE Cc1cccc(/C=N/n2c(Cc3ccc(C)c(C)c3)nnc2SCc2ccccc2)c1 1874358567 OIMDFOCFHHOZJT-WPWMEQJKSA-N 426.589 5.969 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(N(CC)CC)cc1 1874367192 QIBRZIHJEDIDBY-MFKUBSTISA-N 440.016 5.995 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccccc3)n2/N=C/c2cccc(Cl)c2)cc1 1874382925 PQKDWUIJJSKTGP-CVKSISIWSA-N 448.979 5.993 30 10 IKEE Clc1cccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccccc2)c1 1874409609 FOFGQUCTRAAFSP-PCLIKHOPSA-N 425.001 6.229 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(Cc3cccs3)nnc2SCc2cccc(F)c2)c1 1874411912 RCEWXOQKSJDKMG-ZMOGYAJESA-N 438.553 5.258 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3cccc(F)c3)nnc2-c2ccccc2)c1 1874426864 DXGYLUXZXVSJDQ-WGOQTCKBSA-N 432.524 5.657 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(F)(F)F)n2/N=C/c2ccc(C(C)(C)C)cc2)c1 1874461217 BZZXUHZBAADFGN-UVHMKAGCSA-N 446.542 6.386 30 10 IKEE CCCCc1nnc(SCC(=O)N(CCC)CCC)n1/N=C/c1ccc(C(C)C)cc1 1874479853 VHBWLVWNBHWQFP-KOEQRZSOSA-N 443.661 5.367 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(O)cc1 1874486034 YGPSYEJELCOPJM-FOKLQQMPSA-N 435.380 5.763 30 10 IKEE Cc1ccsc1/C=N/n1c(SCC(=O)Nc2cccc(C)c2C)nnc1C1CCC1 1874495187 ZDFAXYLGZGNGQB-FSJBWODESA-N 439.610 5.145 30 10 IKEE COC(=O)c1ccc(COc2ccc3ccccc3c2/C=C/C(=O)c2cccc(Cl)c2)o1 1874577519 RUKYBNKDEMJCPN-VAWYXSNFSA-N 446.886 6.348 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1c(OCC(=O)OCC(C)C)ccc2ccccc12 1874581427 NHICQDLBKGGBDD-VAWYXSNFSA-N 432.516 5.631 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cc(Br)ccc2OCCCO)cc1C(C)C 1874584842 FFJYKAYANDQIBB-SOFGYWHQSA-N 447.369 5.547 30 10 IKEE C=C(C)COc1ccc(Br)cc1/C=C/C(=O)c1ccc(OC)c2ccccc12 1874591846 FNEIWXQQGOTSBZ-DHZHZOJOSA-N 437.333 6.462 30 10 IKEE CCOc1c(OC)ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1Br 1874593667 VWJJKPBPABSWMU-XBXARRHUSA-N 430.125 6.059 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OCC(=O)N[C@@H](C)c1ccccc1 1874596042 LKZULYNURUBLNY-CWIMXHLESA-N 447.506 5.295 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(OC)c1OCc1cccc(C)c1 1874613020 YKCSLVBDRCMYNG-FMIVXFBMSA-N 434.482 6.485 30 10 IKEE Cc1ccc(COc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2Br)cc1 1874617687 ORTZQKJAWLXATJ-FMIVXFBMSA-N 435.361 6.849 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OCc1ccccc1C 1874623096 LYGKDBTURYPNAF-NTEUORMPSA-N 434.963 7.256 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(OC)c1OCc1ccccc1F 1874627320 JRWLONMKEBLTNU-FMIVXFBMSA-N 438.445 6.316 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OCc2cc(C)ccc2C)c(Cl)c1 1874629780 UGIQERFVPHBVJC-CSKARUKUSA-N 434.963 7.057 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)c(OC)c1 1874632117 MCWHSXWZVRIVRJ-WUXMJOGZSA-N 449.459 5.096 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OC(=O)CCc1ccccc1C 1874698640 HCLOBLMNNVYTPR-NTCAYCPXSA-N 430.500 5.447 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc1OC(=O)c1ccncc1 1874708856 YIKSTJPWHNWIJH-RMKNXTFCSA-N 445.515 5.512 30 10 IKEE CCCCCCCCC(=O)Oc1cccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)c1 1874715511 DJGILEXZLKCKJS-HTXNQAPBSA-N 434.620 7.845 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1 1875085122 QEXZPUAFRBGNDT-DTQAZKPQSA-N 445.471 5.564 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1 1875096746 CPZLWPHNBUYPIA-RQZCQDPDSA-N 444.958 6.653 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1OC 1875098633 GLROAASGNXLSKQ-CSKARUKUSA-N 432.900 5.358 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3Cl)cc2)cc1 1875104151 IZCDVNYEHMOSFZ-MDWZMJQESA-N 425.311 6.346 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Br)c2)ccc1OC(=O)CCCSC 1875117639 UDVWHRFOVRTLIB-CSKARUKUSA-N 449.366 5.402 30 10 IKEE COc1ccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3OC)cc2)cc1 1875118162 OGNJOPCIGQGXFI-WOJGMQOQSA-N 446.499 5.365 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(Cl)cc2)c(Cl)c1 1875118690 IYZXWZYLXHEYRW-WUXMJOGZSA-N 427.283 6.117 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)C3CCCC3)c(Br)c2)c1 1875139487 LAJMYPQHPKGQGF-PKNBQFBNSA-N 427.338 6.058 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OC 1875140174 UHYIBAVZZZSETG-WYMLVPIESA-N 444.527 5.755 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc(Cl)c1OC(=O)C1CCCC1 1875146591 BTTQIDKXRRBUGM-SOFGYWHQSA-N 442.895 5.112 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OC(=O)C(C)C)c(Br)c2)c1C 1875168984 DFIDIELXLGOCTK-VQHVLOKHSA-N 429.354 6.140 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2cccnc2)c(Cl)c1 1875180444 NFNLOXPXYWZJGY-FNORWQNLSA-N 442.298 5.821 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1C 1875186565 BKISVBLOQVFSMD-RMKNXTFCSA-N 444.571 6.330 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)ccc1OC(=O)c1ccncc1 1875189728 FBFUGKLMPZIRIO-SOFGYWHQSA-N 431.488 5.221 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3cc(Cl)ccc3OC)cc2)cc1 1875191977 NTZIKZTYZTVNPV-NTUHNPAUSA-N 436.891 5.401 30 10 IKEE C=CCN(CC=C)C(=O)c1cc2c(NCCCCCC)ncnc2n1Cc1ccccc1 1875218141 YLCQWHBWVYIHKH-UHFFFAOYSA-N 431.584 5.286 30 10 IKEE C=CCn1c(C(=O)N(CCCC)CCCC)cc2c(NCc3ccc(C)cc3)ncnc21 1875232587 PMKOAXMSNXRTEA-UHFFFAOYSA-N 433.600 5.580 30 10 IKEE CC#CCCCC[C@@H](N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1885370403 PDCLBSYCVFCDJL-UHSQPCAPSA-N 443.587 5.789 30 10 IKEE C=CCC1([C@H](NCC)c2cc(F)ccc2Br)CN(C(=O)OC(C)(C)C)C1 1898447212 VSLPUKRMFUPVEU-QGZVFWFLSA-N 427.358 5.052 30 10 IKEE CCCCCCCCCCC(=O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1947476364 NNSFERPVVWLDKA-QHCPKHFHSA-N 433.633 6.587 30 10 IKEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1999942425 JFZUFRVDVWSNFO-HJPURHCSSA-N 449.979 5.621 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@]1(C#N)C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21 2016128042 MRWVKHVRSCLJTD-GJPOJAMWSA-N 425.533 5.202 30 10 IKEE O=C(C=CNc1ccc(Cc2ccc(NC=CC(=O)C(F)(F)F)cc2)cc1)C(F)(F)F 2040464976 PTKAMJUYYYQHLO-UHFFFAOYSA-N 442.359 5.391 30 10 IKEE CC[C@@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)CN1C(=O)OC(C)(C)C 2040669697 CAQYENAIBXXQES-MZNJEOGPSA-N 447.551 5.639 30 10 IKEE CC[C@@]1(Nc2cc(Br)cc(C#N)c2)CCCN(C(=O)OCc2ccccc2)C1 2043971954 SGJDEQXKMSXOJC-JOCHJYFZSA-N 442.357 5.314 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1C(C)(C)[C@@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2055761779 BPYOKDUFLDNVCV-WYEJZRMESA-N 447.620 5.484 30 10 IKEE CCc1nn([C@@H](c2ccc(C(F)(F)F)cc2F)C2(C)CC2)c(Br)c1C#N 2079879831 JQFLWSXGESJELM-HNNXBMFYSA-N 430.243 5.627 30 10 IKEE Cc1cc(C)c([C@@H](C2CC2)n2nc(C3CC3)c(C=NO)c2I)c(C)c1 2080012656 RWVNFBFYNYJRJA-LJQANCHMSA-N 449.336 5.098 30 10 IKEE CC(=O)Oc1ccc([C@@H](C2CCC2)n2nc(C3CCC3)c(C#N)c2Br)cc1 2080073897 XQRSINMVAWCHRF-HXUWFJFHSA-N 428.330 5.100 30 10 IKEE Cc1cc(F)ccc1-c1c(C(F)(F)F)nn(C(F)(F)F)c1I 2080784274 PNISDNFJRKQRHA-UHFFFAOYSA-N 438.084 5.097 30 10 IKEE C=CCN(CC[C@H](Cc1ccc(C)c(Br)c1)NCC)C(=O)OC(C)(C)C 2099287862 OMXVHCXDCCOENH-GOSISDBHSA-N 425.411 5.091 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@](C)(C#N)C(F)(F)C(F)(F)F 2126067006 BOGXZFOFAVMUAC-CQSZACIVSA-N 443.210 5.670 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)C(C)(C)[C@H]1CCCCO1 2151440389 TTXCZZLAFDQBHK-QZTJIDSGSA-N 437.378 5.678 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](CNc2cc(Br)ccc2C#N)[C@H]2CCCC[C@H]21 2179389814 JBJVWKOQXBOTNW-KVSKMBFKSA-N 434.378 5.158 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)Nc2ccc(C#N)cc2F)c1 2181048088 XDZKLJCDGXSGED-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE C=C[C@H](C)C[C@H](NCC)c1sc(Br)c(Br)c1Br 2216492613 PTADTJPGSNJMCD-YUMQZZPRSA-N 446.046 5.898 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1sc(C)c(Br)c1C 2219016560 DJTYYBMLIHPELK-ZBFHGGJFSA-N 429.424 5.085 30 10 IKEE Cc1sc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)c(C)c1Br 2226504538 XTIFIGWXLYSXMP-OAHLLOKOSA-N 439.350 6.273 30 10 IKEE C=CCCCCCC[C@@H](NC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248462227 CGRIWOURUXYVNQ-HSZRJFAPSA-N 430.633 5.555 30 10 IKEE Cc1sc(C(=O)N(Cc2ccccc2)[C@H](C)C(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255608422 LHRRCXQMJGEHNC-GOSISDBHSA-N 441.446 5.433 30 10 IKEE CC1(C)OB(c2ccc(Cl)c(C(=O)N(Cc3ccccc3)C3CCCC3)c2)OC1(C)C 2255771315 VEQGFIQJDVGIHC-UHFFFAOYSA-N 439.792 5.224 30 10 IKEE CC(C)(C)OC(=O)NC[C@@]1(C)CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2258857848 SVXYIQRDALWQQH-RPWUZVMVSA-N 447.551 5.544 30 10 IKEE CC1(C)OB(c2cc(C(=O)Nc3c(Cl)cccc3Cl)sc2Cl)OC1(C)C 2281976400 AZLUIGOOKFBXDZ-UHFFFAOYSA-N 432.565 5.260 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(OCc4cc(C)ccc4C)c3C)C2=O)c2ccccc21 2296586528 ATJSAJFWWHJFQK-UHFFFAOYSA-N 437.539 6.782 30 10 IKEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(c3nccs3)[C@H]2c2ccc(C(C)C)cc2)cc1 2296766434 OHNABPLQJBPFML-NRFANRHFSA-N 448.544 5.292 30 10 IKEE CN(C)c1ccc(C=C2SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc1[N+](=O)[O-] 2297550422 NQVOCPLHSSXKQA-UHFFFAOYSA-N 444.516 5.469 30 10 IKEE O=[N+]([O-])C(C=Nc1ccccc1Br)=CNc1ccccc1Br 2297730855 PSBJOUHXDMNKSU-UHFFFAOYSA-N 425.080 5.144 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC(=O)c3ccccc3Br)cc2)cc1 2314429898 RFWVBFLJLARQDR-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE O=C(C#CC1CCC1)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2315825821 USCFUZWYCFOTRI-NDEPHWFRSA-N 426.512 5.251 30 10 IKEE CCCSc1nnc(C2CC2)n1N=Cc1ccc(OCc2ccccc2)c(OCC)c1 2320868412 XFHVZVCZDICDIE-UHFFFAOYSA-N 436.581 5.518 30 10 IKEE Clc1cccc(CSc2nnc(C3CC3)n2N=Cc2ccc(Cl)cc2Cl)c1 2320892143 QDFSNIVXHPTIBL-UHFFFAOYSA-N 437.783 6.290 30 10 IKEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1cc(Cl)ccc1O 2321185562 IOCDCELQPCHRLP-UHFFFAOYSA-N 427.744 5.427 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)c1 2321298810 WSFHZGKOEKHGGS-WOJBJXKFSA-N 441.572 5.418 30 10 IKEE CCOc1cc(C=Nn2c(S)nnc2C2CCC2)ccc1OCc1ccc(Cl)cc1 2321901632 YJLOMMJJWWQZGQ-UHFFFAOYSA-N 442.972 5.348 30 10 IKEE CC(C)Cc1nnc(S)n1N=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1 2321908061 MWXRLOCDNXKYSS-UHFFFAOYSA-N 435.380 5.533 30 10 IKEE CCOc1ccc(C=Nn2c(S)nnc2CCCOc2ccc(C(C)(C)C)cc2)cc1 2322278327 KRPWNDVOJNQARF-UHFFFAOYSA-N 438.597 5.157 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc3c(c2)CCCC3)c1OCc1cccc(C)c1 2322335651 GPYWFLGFTYAGDK-UHFFFAOYSA-N 446.974 7.011 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)N[C@H](C)c2ccccc2)cc1C 2322401721 FSWKWBOJMBHGRK-HXUWFJFHSA-N 429.516 5.156 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccccc2Cl)c1OCc1ccccc1C 2322436787 XJXPMHFDCNCFKJ-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE COc1ccc([C@H](C)N2COc3c(cc4c(c3C)OC(=Cc3ccccc3F)C4=O)C2)cc1 2322437262 YNWGZPZVNYFAOA-KRWDZBQOSA-N 445.490 5.672 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(F)cc2F)c1OCc1ccccc1F 2322501834 FTKVGPFEBKQRQE-UHFFFAOYSA-N 432.825 6.241 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCCCO)cc1OCCC 2322502900 CLAPZEZNOHGHBH-UHFFFAOYSA-N 432.944 5.575 30 10 IKEE O=C(C=Cc1cc(Br)ccc1OCc1cccc2ccccc12)c1ccccc1 2322542600 SIZKKNZEIORECI-UHFFFAOYSA-N 443.340 7.077 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(C)cc2)c1OCC(=O)Nc1ccc(C)cc1 2322593400 DJIYMONXIBYCIV-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCC)cc1 2322762856 FSODVVCHACTJTQ-UHFFFAOYSA-N 430.972 6.993 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(Cl)cc2C=CC(=O)c2ccc(C)c(C)c2)cc1C 2322900920 ZDCJDGRXYCWEBX-UHFFFAOYSA-N 447.962 6.487 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3c(C)cccc3C)c2)cc1OC 2323060127 PWTKLSXCWQZZLV-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE Cc1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)cc1 2323063528 ZZOFBKFVCLBCCN-UHFFFAOYSA-N 441.439 5.447 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2Cl)cc1OCC(=O)Nc1ccc(C)c(C)c1 2323087704 VHTULQYHQCCQQB-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1OCC(=O)Nc1ccc(C)c(C)c1 2323126596 SYZKGSVBMZAGJC-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc2c(c1C)OC(=Cc1ccccc1)C2=O 2323177014 HMRABXPYSRJCSY-UHFFFAOYSA-N 428.484 5.684 30 10 IKEE CCCCCCCCCOc1ccc(C=NNc2nc(O)cc(C(C)C)n2)cc1OC 2323248490 WVNPUKZCKZOXEV-UHFFFAOYSA-N 428.577 5.890 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2)c(Br)c1)c1ccc2c(c1)CCCC2 2323423318 FGQGHFXNPKATLC-UHFFFAOYSA-N 447.372 6.803 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc2c(c1)OC(=Cc1ccccc1Br)C2=O 2323485232 BGPUWLNXAISGFM-UHFFFAOYSA-N 441.321 5.941 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(OC)cc2)C3=O)cc1 2323865060 CDGORKXIFDGXJJ-UHFFFAOYSA-N 442.467 5.404 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3cccc(F)c3)c([N+](=O)[O-])c2)cc1F 2324115733 CLMIHMIRPJGODL-UHFFFAOYSA-N 425.387 5.357 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OCC(=O)Nc1cc(C)cc(C)c1 2324197309 JZYXNKBPEGNGOU-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE CCCOc1c(OCC)cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1[N+](=O)[O-] 2324284992 IPIJQQDTHLIJCB-UHFFFAOYSA-N 447.487 6.471 30 10 IKEE COc1cccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccc(C)cc4)ccc3C2=O)c1 2324372147 GPTZXNJVHXALBC-QGZVFWFLSA-N 429.472 5.026 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OCc1ccccc1Cl 2324455761 SCBAQLRFUIHCJB-UHFFFAOYSA-N 446.974 7.169 30 10 IKEE N#C[C@H](C(=O)C=Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(F)cc2F)cs1 2324465080 XBEIYEFITBTWCM-CQSZACIVSA-N 435.282 6.285 30 10 IKEE Cc1ccc(OCCCCOc2ccc3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)cc1 2324585143 NCHCKQBRMVFVCX-UHFFFAOYSA-N 443.543 5.915 30 10 IKEE Cc1cc(C)c(COc2ccc3c(c2)OC(=Cc2cccc(Br)c2)C3=O)cc1C 2324762549 FBBXEOBZRHASKD-UHFFFAOYSA-N 449.344 6.570 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc(CC)cc1 2325535545 XGXRMOMWNVXVRC-UHFFFAOYSA-N 447.435 6.664 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3cccc4ccccc34)c2)cc1 2325711271 YKBQCAIGCXKVEI-UHFFFAOYSA-N 448.562 7.227 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(Cl)c(Cl)c3)c2)cc1C 2325714553 KNSIMFUSITUWSA-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1cccc(C=CC(=O)c2cccc3ccccc23)c1 2325749808 SJIPLIKEQRMTGV-UHFFFAOYSA-N 442.514 7.037 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OC(=O)CSc1ccccc1 2325750450 IRXSUOWLALYJFX-UHFFFAOYSA-N 446.568 6.412 30 10 IKEE CCCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1cccs1 2325905827 YIHOGQTVCKLNAB-UHFFFAOYSA-N 428.627 5.909 30 10 IKEE CCCOc1ccc(C=Nn2c(CCC)nnc2SCc2ccccc2)cc1[N+](=O)[O-] 2326220697 XGPJRCXIKUUTOK-UHFFFAOYSA-N 439.541 5.102 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1ccccc1[N+](=O)[O-] 2328944829 BHBATZGPFDHGQK-UHFFFAOYSA-N 435.553 5.139 30 10 IKEE Clc1ccccc1CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccncc1 2329587198 XSQICEPGKQRRTI-UHFFFAOYSA-N 440.359 5.821 30 10 IKEE Cc1cccc(CSc2nnc(Cc3cccs3)n2N=Cc2cccc(Cl)c2)c1 2330353554 SGDZWLRWPMRPOU-UHFFFAOYSA-N 439.009 6.067 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(C)cc1 2330641156 XMHLMSGRDFSBPL-UHFFFAOYSA-N 431.444 5.417 30 10 IKEE Cc1ccc(CSc2nnc(CC(C)(C)C)n2N=Cc2ccc(C(C)(C)C)cc2)cc1 2330804386 DFAIGPATJDQBND-UHFFFAOYSA-N 434.653 6.647 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)CC(C)C)c(OC)c2)cc1 2330824278 VYBOISFPOUAKJY-UHFFFAOYSA-N 428.956 6.539 30 10 IKEE CC(C)(C)Cc1nnc(SCCc2ccccc2)n1N=Cc1ccc(C(F)(F)F)cc1 2330852082 JCEIOSVRUWPPAY-UHFFFAOYSA-N 446.542 6.103 30 10 IKEE COc1cc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccc(Cl)cc2)ccc1O 2330867490 ZGZWYKPYKYESRB-UHFFFAOYSA-N 444.988 5.409 30 10 IKEE CCCOC(=O)CSc1nnc(CC(C)(C)C)n1N=Cc1ccc(Cl)c(Cl)c1 2330881201 RBGXDPLAXLICQN-UHFFFAOYSA-N 443.400 5.101 30 10 IKEE Cc1ccccc1CSc1nnc(C2CCCC2)n1N=Cc1cccc2ccccc12 2331030241 NTCUPHLXNSLUMT-UHFFFAOYSA-N 426.589 6.572 30 10 IKEE Cc1ccccc1CSc1nnc(C2CCCC2)n1N=Cc1cn(C)c2ccccc12 2331030319 BGWDNYZNZBKPLG-UHFFFAOYSA-N 429.593 5.910 30 10 IKEE COc1cccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C2CCCC2)c1 2331101293 NJDYDKVMMLZCPX-UHFFFAOYSA-N 444.963 5.911 30 10 IKEE O=C(COc1ccccc1)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 2331146872 KNFGFJBHSASYMG-UHFFFAOYSA-N 437.835 5.129 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(SCCc2ccccc2)nnc1-c1ccco1 2331211310 ICOBYFCVHHEAGI-UHFFFAOYSA-N 432.549 5.542 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc(C)cc(C)c3)c(Cl)c2)cc1 2331304298 ZSQRPMPFSJAMME-UHFFFAOYSA-N 448.946 6.861 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(F)c3)c([N+](=O)[O-])c2)cc1 2331305587 WUINEFIFFVJQQI-UHFFFAOYSA-N 449.434 5.638 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccc(OCC)c(OC)c1 2331318621 ICFHYMWBOXOTEF-UHFFFAOYSA-N 438.597 5.511 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)c3ccc(N(C)C)cc3)c(Cl)c2)ccc1F 2331336196 SNJIHKRRYSMWKM-UHFFFAOYSA-N 437.898 5.969 30 10 IKEE CCC(=O)Oc1c(Cl)cc(C=CC(=O)c2cc(OC)c(Cl)cc2OC)cc1OC 2331687061 ALXXWHSCIGRRDO-UHFFFAOYSA-N 439.291 5.231 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc([N+](=O)[O-])c1OC(C)=O 2331801098 IENMXLKPXPCYAP-UHFFFAOYSA-N 425.481 5.421 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2cc(C)c(OC)cc2C)cc1 2331835508 DAQSUZPYDJEDSF-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)C(C)C)c(Br)c2)cc1C 2331846083 JWXNRHRQICXQRJ-UHFFFAOYSA-N 431.326 5.532 30 10 IKEE C[C@@H](CCC[C@@H](C)C(=O)O)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CCC(=O)C=C1C[C@H]3O 2333314526 SATGKQGFUDXGAX-KBXAGIACSA-N 430.629 5.632 30 10 IKEE CC(C)(C)OC(=O)Nc1ncccc1Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339588147 DOIFKKWUYUDAFA-UHFFFAOYSA-N 438.337 5.212 30 10 IKEE C[C@@H]1C[C@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CN(Cc2ccccc2)C1 2339588177 DXCMFJGPQZDSQP-QTAANCCMSA-N 433.405 5.049 30 10 IKEE CC1(C)OB(C=Cc2ccc(NCc3cccc(OCc4ccccc4)c3)nc2)OC1(C)C 2365114799 AWRCOKIUWPKKSM-UHFFFAOYSA-N 442.368 5.917 30 10 IKEE Cc1ccc(Cl)cc1OCc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1 2377328257 AKZXRAUJCPQLDC-UHFFFAOYSA-N 437.570 5.289 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O)c1ccc(F)cc1 2421685 SKSJIJRLGOEJIG-QQXSKIMKSA-N 436.438 6.328 30 10 IKEE CCOc1ccc2c(c1)O/C(=C\c1ccc(OC(=O)/C=C/c3ccccc3)c(OC)c1)C2=O 8823858 RAZFZLJHUSYZKE-VNRVJKOKSA-N 442.467 5.329 30 10 IKEE Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=N/N=c1\sc2ccccc2n1C 12565020 ZVJDBARFNAUSSW-UCFGKBARSA-N 449.889 5.341 30 10 IKEE CC(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@H]3c2cccs2)cc1 19630331 KQHDPXTYVWFADI-BCHFMIIMSA-N 439.584 6.637 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)cc2Cl)cc1 21241274 GHMVZFHOEOAJFA-RDTXWAMCSA-N 430.331 5.396 30 10 IKEE Cc1cc(C)cc(-n2c(C)cc3c2CC(C)(C)C/C3=N\OC(=O)c2cccc(Cl)c2)c1 39853171 BENOMGUAHCULIZ-WEMUOSSPSA-N 434.967 6.589 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc4c3CN(CCCc3ccccc3)CO4)C2=O)c1 41656790 JPBXFDQJRRKVHS-XYGWBWBKSA-N 427.500 5.096 30 10 IKEE Cc1ccc(CSc2nc3ccc(/N=C/c4ccc(O)c([N+](=O)[O-])c4)cc3s2)c(C)c1 59505919 ZGUIOGXKHBKOMN-WYMPLXKRSA-N 449.557 6.570 30 10 IKEE CCCCCCCCCCCCCCOP(Oc1ccccc1)Oc1ccccc1 100310638 PRFKJUVSYMPQCK-UHFFFAOYSA-N 430.569 9.089 30 10 IKEE O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 100478564 IZVJAXDYUKJUCR-LBMUFILHSA-N 429.501 5.268 30 10 IKEE CCCCCCCOc1cccc(OCC(=O)Oc2ccc(C(=O)c3ccccc3)cc2)c1 100973352 ZQTCKVDMSVJXHM-UHFFFAOYSA-N 446.543 6.251 30 10 IKEE C=CC(=O)N[C@@H](C)c1nc2ccccc2n1CCCCCCCCCCCCCCCC 102123265 FUAYSQXWIRCHGT-DEOSSOPVSA-N 439.688 7.881 30 10 IKEE O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 103374522 FHXJVWVBTMCULZ-KGENOOAVSA-N 431.473 5.065 30 10 IKEE COc1ccc(-c2nc(SCc3sc(-c4ccccc4)nc3C)[nH]c(=O)c2C#N)cc1 110091493 PJEGSAHHILWSHF-UHFFFAOYSA-N 446.557 5.041 30 10 IKEE N#C[C@H](C(=O)c1cc(Br)ccc1Br)c1cccc(Cl)c1F 160729243 JURNUKBIPUUABS-NSHDSACASA-N 431.486 5.494 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2cccc(C)c2C)cc1 169925006 HCRGKYCGMQJADF-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE COc1cccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2cc(C)ccc2C)c1 169933479 BMTNKVDUZSKXLG-AREMUKBSSA-N 441.527 5.414 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@@H](c2ccccc2OCc2ccccc2Cl)NC(=S)N1 169938469 XAOHSBXVUQGQIU-HSZRJFAPSA-N 448.975 5.595 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2cccnc2)c(C)c1 170002460 SAXLQQPZQBDDFP-XMMPIXPASA-N 442.515 5.305 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2cccc(C)c2)cc1 170028277 ROTCHXBBEMLDAZ-RUZDIDTESA-N 441.527 5.793 30 10 IKEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc(Cl)cc1)c1cccc2ccccc12 170058329 RMPSBWUEJBFEOF-AUSIDOKSSA-N 447.918 5.251 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1)c1ccc2c(c1)CCO2 170062964 FLGWNCCWRJZLLS-JOCHJYFZSA-N 449.865 5.197 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccc(N(C)C)cc2)o1 170099933 RIHSKFMVLPQDBV-NRFANRHFSA-N 436.895 5.090 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)o1 170101802 VILSGUSATBVFAU-HXUWFJFHSA-N 425.843 5.472 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(OC)cc2)c1 170114644 JLQLFXLUKGMQRG-XMMPIXPASA-N 449.547 5.395 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(O)cc2)cc1 170132778 DZKJGLPSGHRSID-XMMPIXPASA-N 443.499 5.210 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2cccs2)c1 170156289 OGUKYOLFYLLITC-XMMPIXPASA-N 439.536 6.301 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2cccs2)cc1C 170160096 MCURRARULGAVKT-QFIPXVFZSA-N 449.528 5.247 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1ccccn1 170176398 VNOKPAPOQAVXNC-JOCHJYFZSA-N 444.874 5.573 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(OCC)cc1 170214455 SMRWKGWUAJRLMF-RUZDIDTESA-N 443.543 6.007 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@@H]1c1cccc2ccccc12 170221025 OJVRFGCILFVRDG-QHCPKHFHSA-N 429.516 5.454 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2)c(OCC)c1 170226162 JHTCETUVGMFCGS-XMMPIXPASA-N 443.499 5.267 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2ccccc2)cc1Cl 170227750 PTGDLACFVPUGRQ-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 170239576 FZFFRSOIZIAKOZ-HSZRJFAPSA-N 431.463 5.397 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(F)cc2)c1 170242208 WEKOEIDRWONHTQ-QHCPKHFHSA-N 437.511 5.524 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@H]1c1ccc(F)cc1 170243976 FSYKIBHPIQTXGA-JOCHJYFZSA-N 425.500 5.220 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccccc2F)cc1 170249364 VTMKIVAXZFFZHB-RUZDIDTESA-N 441.502 5.796 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1c[nH]c2ccccc12 170255802 DUNMXBCZIVMEGO-DEOSSOPVSA-N 446.547 5.499 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2cccc(O)c2)cc1 170259444 XVOSEIQRBCHYMB-DEOSSOPVSA-N 443.499 5.271 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2C)ccc1Cl 170272064 PBKXJDWXYAWNKZ-HSZRJFAPSA-N 447.918 5.830 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1Cc1cccnc1 170274765 RELWHFJQKHQMKC-VWLOTQADSA-N 434.495 5.322 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccco2)cc1 170283032 IIRJYPDSGMWOTQ-XMMPIXPASA-N 445.515 5.940 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2sccc2C)c1 170315408 HPLSHFMFDOCISH-NRFANRHFSA-N 433.529 5.547 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(F)c(F)c2)c1 170364447 HNONVCINEAEABQ-HXUWFJFHSA-N 441.455 5.208 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(OC(C)C)cc2)cc1 170393298 XFCFXYPYONEFCY-VWLOTQADSA-N 441.527 5.819 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2sccc2C)cc1Cl 170405900 ZHLZFSQLUZFHKX-KRWDZBQOSA-N 429.881 5.094 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(OC(C)C)cc2)cc1 170473699 OSGRPXDHWZXXMP-HSZRJFAPSA-N 447.487 5.248 30 10 IKEE CCCOc1c(Cl)cc(/C=C\C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1OC 209948238 GOVWBWWXOITIAI-YDZSZYSISA-N 444.984 6.184 30 10 IKEE CCCc1ccc2c(N)c(C(=O)Nc3ccc(C(=O)/C=C\c4cccs4)cc3)sc2n1 211403441 VCAPLXIOBMSHOO-QBFSEMIESA-N 447.585 6.041 30 10 IKEE CCOc1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(OCc3ccccc3)cc2)cc1 254380587 FNWNMWZUGOEHMU-UHFFFAOYSA-N 430.533 5.468 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[C@@H]1Nc1cc(Br)ccc1C#N 312185519 IAFYFFBKFJZKKM-JENIJYKNSA-N 434.378 5.301 30 10 IKEE C=CCn1nnc(COc2ccc(Cl)cc2)c1SCC(=O)Nc1cccc(Cl)c1 334162147 KUNGIOBKJPPRGU-UHFFFAOYSA-N 449.363 5.081 30 10 IKEE CC1(C)OB(c2ccc(COc3cccc(OCc4ccccc4)c3)c(F)c2)OC1(C)C 399181507 SJVOCLALFMMNQS-UHFFFAOYSA-N 434.316 5.283 30 10 IKEE COc1cccc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2C#N)c1OC 526605648 DJBUOSCJYXBPGS-QFIPXVFZSA-N 446.890 5.286 30 10 IKEE CCOc1cc([C@@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccccc2C#N)ccc1OC 526607996 BQUJJWYERDFXAO-RUZDIDTESA-N 440.499 5.331 30 10 IKEE COc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccccc2F)cc1 526803836 QEAIPVHTGZNTIX-QQXSKIMKSA-N 432.524 5.191 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1ccc(O)c(Br)c1 526804196 HHSZIHPBTGEIGE-UUYOSTAYSA-N 445.386 5.182 30 10 IKEE CCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1ccc(OCc2ccccc2)cc1 526804432 SSLQTVMKHGOXOZ-PKAZHMFMSA-N 442.588 5.902 30 10 IKEE COc1cc(/C=N\n2c(C)nnc2SCc2cccc(Cl)c2)cc(Cl)c1OC 526812161 GVQOICLZFYKFJO-YVNNLAQVSA-N 437.352 5.085 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(Cc2ccncc2)Cc2cccc(C#N)c2)cc1 586179768 IYLRWANMUUVOLM-UHFFFAOYSA-N 447.604 5.467 30 10 IKEE N#CCCCN(c1cccc2ccccc12)S(=O)(=O)c1ccc(Br)cc1 586208856 VDDLGJMSYKKNRI-UHFFFAOYSA-N 429.339 5.101 30 10 IKEE CN(Cc1ccccc1)C(=O)Nc1ccc(C(=O)Nc2scc(C(C)(C)C)c2C#N)cc1 586682912 SIPNLEYAOMYQLC-UHFFFAOYSA-N 446.576 5.833 30 10 IKEE C[C@@H]1CC[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)CN1C(=O)OC(C)(C)C 698354874 UCOJFAKLFYCDBE-KOSHJBKYSA-N 429.561 5.105 30 10 IKEE CCn1nc(C)c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)c1C 698455885 GHLREXRUASAZIH-QGZVFWFLSA-N 433.350 5.289 30 10 IKEE COCO[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@H]2CC[C@]3(C)[C@@H]([C@H](C)CCC(=O)OC)CC[C@@H]3[C@@H]12 725237572 JYIDECZSCQDTCO-IHDDZPTPSA-N 446.628 5.323 30 10 IKEE CCCCCCCC[C@H](NC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 822114019 SWOUACDPBFAQCJ-OZXSUGGESA-N 431.665 5.494 30 10 IKEE O=C(Nc1ccccc1)[C@@H]1CC(=O)N(Cc2ccccc2)C(=Nc2ccc(Cl)cc2)S1 1084612278 SIZYZTYBBTTWPZ-NRFANRHFSA-N 449.963 5.501 30 10 IKEE Cc1c(CON=C2Cc3c(Cl)cccc3Oc3ccccc32)cccc1-c1ccccc1 1088673396 URSFHOZYHJNZNW-UHFFFAOYSA-N 439.942 7.585 30 10 IKEE C=CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCc2c(ccnc2O)C1 1722601788 VTEZLYUWNULKAL-FQEVSTJZSA-N 447.583 5.055 30 10 IKEE CCN1C(=O)/C(=C/c2cccc(OCc3ccc(C)cc3)c2)SC1=Nc1nccs1 1772738801 WEARCPFWTSIMOD-VASVRFFCSA-N 435.574 5.654 30 10 IKEE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNc1ccccc1)CCC2 1772750514 CGEUTHBIIQKKEC-UHFFFAOYSA-N 431.492 5.170 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOCC)[C@H]2c2ccccc2C)cc1 1862389230 AXHJJADIFMRCHN-DEOSSOPVSA-N 435.564 5.343 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc(O)c2)cc1 1862389673 LAACPBAKCFCMTH-XMMPIXPASA-N 433.548 5.646 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(F)cc2F)cc1C 1862402592 BZLFHDCLIXGZPL-HSZRJFAPSA-N 449.453 5.060 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1ccc(F)cc1F 1862417319 QMYDYFOPVKEPLJ-OAQYLSRUSA-N 439.845 5.397 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(C)cc1 1862429972 ZFQWGKACMNEXOW-JOCHJYFZSA-N 441.955 5.434 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1c(F)cccc1Cl 1862459413 AEWQTXJANPQHPQ-SFHVURJKSA-N 441.808 5.131 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@@H]2c2cccc(Cl)c2)cc1 1862477185 TWVLPYBKVNORNT-HSZRJFAPSA-N 447.918 5.306 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2cccc(F)c2)c1 1862489050 NRIBRFNZOWGHGJ-HSZRJFAPSA-N 433.454 5.360 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2cccc(Cl)c2)ccc1F 1862503165 RMBPXMCKUOJRCB-ZFGLAFRWSA-N 441.930 5.945 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2cccc(O)c2)ccc1F 1862507804 UOGOGLOJMSRGRH-QMHKHESXSA-N 431.463 5.179 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2cccc(F)c2)cc1 1862529565 HSGHDFAJEFJGKT-XDHUDOTRSA-N 429.491 5.728 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc2cc[nH]c2c1 1862617676 ZCWRMMVRLVSHPJ-HSZRJFAPSA-N 430.548 5.700 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cc(C)ccc2C)cc1 1862672306 AGCPPGGVTMCFNG-XMMPIXPASA-N 445.490 5.230 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@H]1c1ccc(F)cc1F)c1ccc(F)cc1 1862675910 WFLBGCCZQSCXCB-NRFANRHFSA-N 441.380 5.022 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc2cc[nH]c2c1)c1ccc(F)cc1 1862677443 BUTYMXAUUHMFSH-OAQYLSRUSA-N 432.476 5.147 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)c1 1862713781 WKEMDVBJHUVXRH-DCFHFQCYSA-N 447.534 6.488 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCC(C)C)=C(c2ccccc2Cl)C1=O 1863777555 HUJVHULOTZYOGI-UHFFFAOYSA-N 433.036 6.196 30 10 IKEE CCCCCCCCC(=O)Nc1scc(-c2ccc(OCCC)cc2)c1C(=O)OCC 1866090462 PNSPLFAYWPUQRV-UHFFFAOYSA-N 445.625 7.070 30 10 IKEE COc1ccc2c(c1)CCN(c1cc(Nc3cccc(C#N)c3)nc(C(C)(C)C)n1)[C@H]2C 1868333666 QFIUMPCZRJBQRK-KRWDZBQOSA-N 427.552 5.522 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)C[C@H](c1ccc(F)c(C)c1)C(C)C)c1ccccc1 1868713486 IIWXLXIINVMKFH-OZXSUGGESA-N 436.571 5.322 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3ccccc3[C@@H]2c2cccc(Cl)c2)nc(C)n1 1869287709 OIVDRSBPBBFZHA-SANMLTNESA-N 430.983 5.769 30 10 IKEE CCCn1cc(OCC2CCCCC2)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870276374 GNXXPAGBYUQBNO-UHFFFAOYSA-N 439.625 5.702 30 10 IKEE CCCCCCCOc1cn(CC(C)C)c(CNc2ccc(OC)c([N+](=O)[O-])c2)cc1=O 1870831521 BYWBVZAMHXIRFZ-UHFFFAOYSA-N 445.560 5.382 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2)c(CNc2cccc(Cl)c2)cc1=O 1870833784 SJRAMDKNTCLYGE-UHFFFAOYSA-N 438.999 6.511 30 10 IKEE CCCCCCCOc1cn(CCCCCC)c(CNc2ccc3[nH]ncc3c2)cc1=O 1870839630 UIRPTWIJQASCPY-UHFFFAOYSA-N 438.616 6.266 30 10 IKEE C#CCOc1cn(Cc2ccco2)c(CNc2ccc(OCCCCCC)cc2)cc1=O 1871008489 YFBLSXYWJUDDGK-UHFFFAOYSA-N 434.536 5.073 30 10 IKEE C[C@H]1CCCC[C@H]1N1COc2ccc3c(c2C1)O/C(=C\c1c(Cl)cccc1Cl)C3=O 1871350497 INXISPLBRNCVQG-ZPLCQEAQSA-N 444.358 6.340 30 10 IKEE Cc1ccc(CCN2COc3cc(C)c4c(c3C2)O/C(=C\C=C\c2ccccc2)C4=O)cc1 1871353161 MEIICWGWJBKFQZ-XAABERSQSA-N 437.539 5.870 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871389333 QCIGEJVCCLPNFD-XKZIYDEJSA-N 448.858 5.491 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCCOc4ccc(Cl)cc4)cc(C)c3C2=O)c1 1871412952 NATDTCLBLPDXBL-UCQKPKSFSA-N 436.891 5.731 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(O)cc2)cc2c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O2 1871442543 HGKWRYWWDQORBC-CFRMEGHHSA-N 443.499 5.458 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(Cl)cc2C)[nH]c(N2CCCC2)n1 1871570904 KPIXSYZPHVJTRS-UHFFFAOYSA-N 445.055 6.152 30 10 IKEE CCCCCCCCN=c1nc(N2C[C@@H](C)C[C@@H](C)C2)[nH]c(=Nc2ccc3cc[nH]c3c2)[nH]1 1871587998 MDGRAVUYEQWAAD-BGYRXZFFSA-N 449.647 5.195 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)C(C)C)S(=O)(=O)c1ccc(C)cc1 1872013939 OUHJQVQESSWLLC-QHCPKHFHSA-N 442.625 5.133 30 10 IKEE C=CCN([C@@H](C(=O)Nc1cccc(Cl)c1)[C@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872249620 XTHAIOGNNXIMEG-VGOFRKELSA-N 449.016 5.187 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)CCCC 1872362783 XUQIZMWIOYUBOJ-LJQANCHMSA-N 448.551 5.211 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc2nc(-c3ccc(Cl)cc3Cl)[nH]c2c1 1872739279 FDSIQSIRPCEYAL-UHFFFAOYSA-N 446.422 7.407 30 10 IKEE Cc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 1872760097 HGDPTSGOYVOHKO-HSZRJFAPSA-N 426.541 6.307 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)c2ccnc(Cl)c2)n1 1872777318 KUEBFAWTSZKDOO-MRXNPFEDSA-N 425.941 5.655 30 10 IKEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)Nc3cccc(C)c3C)cc2[nH]1 1872806087 VYGPFPNAWKZKIZ-UHFFFAOYSA-N 427.504 5.576 30 10 IKEE CCCCCCCCN1C(=O)C(NCCC2=CCCCC2)=C(c2ccccc2Cl)C1=O 1873031557 FEGWWKOGOAQUTK-UHFFFAOYSA-N 443.031 6.261 30 10 IKEE C=CCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1c[nH]c2ccccc12 1874246870 AVEIRFABUJMPCE-YZSQISJMSA-N 431.565 5.240 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccc(Cl)cc3)n2/N=C/c2cccnc2)cc1 1874280924 IUWAQUUTMAFCGU-JVWAILMASA-N 447.995 5.595 30 10 IKEE CCCCC1CCC(c2nnc(SCC(=O)OC)n2/N=C/c2ccc(F)cc2)CC1 1874286674 SLLFXLUEOFFGQA-ZVHZXABRSA-N 432.565 5.029 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccc(C)cc3)n2/N=C/c2ccc(C)cc2)cc1 1874347772 FQTWSNGOUVBXAI-WPWMEQJKSA-N 442.588 5.669 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3F)n2/N=C/c2cccn2C)cc1C 1874358398 FNZZAAMRIHFRSQ-CVKSISIWSA-N 433.556 5.138 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2F)n1/N=C/c1cccnc1 1874362639 OTCIJFXOEJKAGY-JVWAILMASA-N 431.540 5.080 30 10 IKEE Cc1cccc(CSc2nnc(-c3cccs3)n2/N=C/c2cc(Cl)ccc2O)c1 1874421951 MXKNRPGJTVCSJH-FSJBWODESA-N 440.981 5.849 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1c[nH]c2ccccc12 1874440184 NOKDKAPQXASKTA-VULFUBBASA-N 438.000 6.176 30 10 IKEE Oc1ccccc1/C=N/n1c(SCc2cccc3ccccc23)nnc1[C@H]1CCCO1 1874450031 RRPJCFNRGZJDFF-BHSKHCGUSA-N 430.533 5.163 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3ccccc3C)nnc2C2CCCC2)c1 1874452515 ZJDAVXXPOPUFET-YZSQISJMSA-N 434.609 6.207 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccccc3)nnc2C2CCCC2)cc1OC 1874455616 BAFQAPRTHLDRNV-PCLIKHOPSA-N 436.581 5.518 30 10 IKEE O=[N+]([O-])c1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2-c2ccco2)cc1 1874468721 VJUCBGPIDZOMGB-WSDLNYQXSA-N 439.884 5.274 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1cn(C)c2ccccc12 1874478760 PZIUEICJYOVZJY-AFUMVMLFSA-N 438.000 5.940 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(CCC)nnc2SCc2ccccc2F)cc1 1874507805 WAUDXMYSZDOXPH-YZSQISJMSA-N 440.588 6.113 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1cccc(Cl)c1 1874527840 HMEVTDBPSVCBJV-LSHDLFTRSA-N 425.772 5.975 30 10 IKEE CCN(Cc1ccccc1)c1ccc(/C=N/n2cnnc2SCc2cccc(C)c2)cc1 1874536472 GIIRZLUYTAATSQ-OGLMXYFKSA-N 441.604 5.788 30 10 IKEE Sc1nnc([C@H]2CCCO2)n1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1874560315 RHFSPKRKDZRTKG-BHSKHCGUSA-N 430.533 5.033 30 10 IKEE CCCCOc1ccc(/C=N/n2c(S)nnc2CCCOc2ccccc2Cl)cc1 1874568637 JQZIAZRXZZSJFZ-LFVJCYFKSA-N 444.988 5.293 30 10 IKEE O=C(/C=C/c1c(OCc2cccc(Cl)c2)ccc2ccccc12)c1ccc(F)cc1F 1874576832 IBYHFZIKNRPAGJ-VAWYXSNFSA-N 434.869 7.247 30 10 IKEE COc1cc(Br)cc(/C=C/C(=O)c2ccccc2)c1OCc1cccc(C)c1 1874578157 ZIFPTUDWUZYXBX-VAWYXSNFSA-N 437.333 6.241 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2)cc1Cl 1874591216 YKSMHGZFOIGMHN-UKTHLTGXSA-N 435.907 5.571 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1OCc1ccc(Cl)cc1 1874600134 VLCXOYMFIIVTJA-NTEUORMPSA-N 448.990 7.430 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(Br)c1OCCCO 1874604850 IQJSANWMIKPMCU-DHZHZOJOSA-N 433.342 5.068 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1 1874606180 AVHHMQUKNHBWFM-DTQAZKPQSA-N 434.963 7.166 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1Cl 1874618310 UOMMGNAOLOFVDE-ACCUITESSA-N 447.962 6.433 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2OC)cc(OC)c1OCc1cccc(F)c1 1874619673 MJZAFZDVNGVFKJ-VAWYXSNFSA-N 446.518 6.355 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(F)c(F)c3)cc2Cl)o1 1874626226 RVJIZFJQHILCOP-FPYGCLRLSA-N 446.833 5.863 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Br)c(OCC)c(OC)c2)c(OCC)c1 1874631969 DGDOHTBOJCDWQM-DHZHZOJOSA-N 449.341 5.550 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OCC(=O)Nc1cccc(C)c1 1874635748 XCNQIZWVSVPYED-PKNBQFBNSA-N 443.543 5.842 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1F 1874668809 OJUYARQILQCSDZ-DEOSSOPVSA-N 437.559 5.125 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(OCC(C)C)cc3)c2)cc1 1874694453 DFJKZLYWEFQJLW-LICLKQGHSA-N 428.528 6.399 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2cccc(/C=C/C(=O)c3ccccc3Cl)c2)c1 1874697206 WNTDFMGHNRDARF-CCEZHUSRSA-N 434.919 6.309 30 10 IKEE CCc1ccccc1OCC(=O)Oc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC 1874698743 LZNBQZZIDMLGMR-FYWRMAATSA-N 446.499 5.147 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1OC(=O)Cc1ccccc1F 1874704041 UIYMIKCOEPIRNW-PKNBQFBNSA-N 434.463 5.196 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OC(=O)c1ccccc1Cl 1874709260 CSUUFXZQTXCMQD-UXBLZVDNSA-N 428.818 5.742 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@@H](C)c3ccccc3)c2)c2ccccc12 1874717744 BEOZBTDHBVVTFP-UQCBTIDJSA-N 436.507 6.454 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)[C@H]1CCCO1 1875082717 ODTPSOBWRGBKTQ-VJBVUQEFSA-N 442.511 5.733 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)[C@H](C)Oc1ccc(Cl)cc1 1875129037 ICIGJWBDDASCQC-AAKUMTKESA-N 436.891 5.618 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 1875148426 NLJVABGUSUUKRT-LNKIKWGQSA-N 447.462 6.147 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1Cl 1875155289 URPUBYLVFPXDOW-FBMGVBCBSA-N 448.990 8.045 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1ccc(N(C)C)cc1 1875176569 KTVLZOMWASXYRV-OVCLIPMQSA-N 443.543 5.883 30 10 IKEE C#CC[C@H](C)C[C@@H](NC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1887416273 FTABLFSKKAUNMO-FATZWSQISA-N 443.587 5.516 30 10 IKEE CC(C)CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc21 1891331513 RKNNXXKTXWTLCN-SFHVURJKSA-N 433.552 5.364 30 10 IKEE C[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)CN1C(=O)OC(C)(C)C 1900091198 JYDHRCPVWKTHQY-QRQCRPRQSA-N 435.952 5.373 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@H]1c2ccccc2CCN1C(=O)OC(C)(C)C 1922094018 HWRYSJCWGKLGDT-LOSJGSFVSA-N 436.596 5.272 30 10 IKEE CC1(C)CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)[C@H](CN)C1 1927159118 HQLVEWNXBHHLPY-YCRPNKLZSA-N 436.394 5.238 30 10 IKEE CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1938153994 ADDZCAULJGXZMM-CRAIPNDOSA-N 437.968 5.525 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1944587204 BECFRQMYJIFXJN-WAIKUNEKSA-N 449.979 5.669 30 10 IKEE CN[C@@H](CC#CC1CCCCC1)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1947477499 ITRGRUKFXHDJPD-ZEQRLZLVSA-N 428.617 5.048 30 10 IKEE C=C(COCc1ccccc1)[C@H](NC)[C@]12CCCC[C@@H]1N(C(=O)OC(C)(C)C)CCC2 2000936360 DKKYSPXWLMHHNY-FXSPECFOSA-N 428.617 5.307 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@H](C#N)[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C 2020788149 DGFTZBQIENDWSM-IAGOWNOFSA-N 443.535 5.093 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@H](C#N)[C@]1(C)CCCN1C(=O)OC(C)(C)C 2020802869 QTLNEMKXDCGWGY-JPYJTQIMSA-N 433.524 5.249 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@](C#N)(N(C(=O)OC(C)(C)C)c3ccccc3)CC[C@@H]21 2027458201 QGADLUYGCKFNQY-AOUJKTHWSA-N 441.572 5.500 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)cc(Br)c1)NCC 2047968717 UUAOCIOZXWMHMY-SJORKVTESA-N 431.802 5.093 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCN(C(=O)OC(C)(C)C)C12CC2 2070829393 KORAQKZFFRBKRC-VWLOTQADSA-N 441.572 5.562 30 10 IKEE CCOc1ccc([C@@H](n2nc(C3CCC3)c(C=NO)c2Br)C(C)(C)C)cc1 2080106056 SNVZOGXVSLTAOE-LJQANCHMSA-N 434.378 5.755 30 10 IKEE COc1cc(-n2nc(C3CCCCC3)c(C#N)c2Br)cc(C(F)(F)F)c1 2080311774 SRGNWOCRANQRQP-UHFFFAOYSA-N 428.252 5.582 30 10 IKEE CC(C)(C)c1nn(C(F)(F)F)c(Br)c1-c1cc(F)ccc1C(F)(F)F 2080821716 VUVXUUUKMZAHBB-UHFFFAOYSA-N 433.165 6.244 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CN(Cc3ccccc3)C3(CCC3)C2)c1 2099247120 KIPGQYJVVDGALJ-MHZLTWQESA-N 447.579 5.528 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)C1(C(F)(F)F)CCC1 2122759438 RWNJRTMJOOQAAW-AWEZNQCLSA-N 433.268 5.815 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@@](C#N)(Nc1ccc(Br)cc1)C2 2155266009 RPHZFTYYUIMEEJ-OAQYLSRUSA-N 434.378 5.325 30 10 IKEE CC(C)(C)OC(=O)N1CCCC12CCC(Nc1ccc(Br)c(C#N)c1)CC2 2167917320 NTRDMPGQOIDTFW-UHFFFAOYSA-N 434.378 5.445 30 10 IKEE C[C@@H](Nc1cc(Br)c(C#N)cc1F)[C@H](NC(=O)OC(C)(C)C)c1ccco1 2172876503 GDBQVASJMXYJPO-DIFFPNOSSA-N 438.297 5.119 30 10 IKEE CCCN(C[C@H]1CCCCN1C(=O)OC(C)(C)C)c1cc(Br)cc(C#N)c1 2174811755 BXJOLTKWELSSCU-GOSISDBHSA-N 436.394 5.327 30 10 IKEE CCCCN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cc(Br)cc(C#N)c1 2174814548 JCLACYFQTBQKOZ-SFHVURJKSA-N 436.394 5.327 30 10 IKEE C=CCC1([C@@H](NCCC)c2ccc(Br)cc2F)CN(C(=O)OC(C)(C)C)C1 2192215796 MVJILFKPVQNASG-SFHVURJKSA-N 441.385 5.442 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H](C)CN(C(=O)OC(C)(C)C)[C@@H]2C)cc1 2220395859 ZZYCKNWLFWMURH-RRQZXNHTSA-N 443.588 5.664 30 10 IKEE CC(C)(C)N(Cc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(Cl)c1 2247778931 KODXLJGZEWUQMD-UHFFFAOYSA-N 427.781 5.080 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@H](C#N)c1sc(Cl)cc1Br 2250677973 AORDQKQDDZPHRI-CYBMUJFWSA-N 427.751 6.170 30 10 IKEE C=CC[C@@]1(COc2cc(N)cc(Br)c2)CCCCN1C(=O)OC(C)(C)C 2272096684 RCKJZGWFUVSGPP-FQEVSTJZSA-N 425.367 5.146 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](Nc2cc(Br)ccc2C#N)C[C@@H]1C(F)(F)F 2279226985 DKMIJAHTUYHPBY-DZGCQCFKSA-N 448.283 5.063 30 10 IKEE COc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)C#Cc1ccc(Br)cc1 2296289541 SNWZGFQZZXDJJS-UHFFFAOYSA-N 430.298 5.039 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)c1ccc(CNC(=O)OC(C)(C)C)s1 2296290725 GXGWSKKBHFYBFV-SFHVURJKSA-N 449.414 5.238 30 10 IKEE Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccccc3)[C@H]2c2ccc(Br)cc2)cc1 2296318993 XPVJOZGNWYXKME-OAQYLSRUSA-N 448.316 5.384 30 10 IKEE CCOC(=O)c1c(C)[nH]c(C=CC(=O)c2ccc(F)cc2)c1Cc1cccc(Cl)c1 2296837183 KXLRDVMCMVELGY-UHFFFAOYSA-N 425.887 5.779 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@H](C#N)[C@]12C[C@H](CCN1C(=O)OC(C)(C)C)C2 2306792681 CKDWSOUWJCZZDS-UQNRQAKVSA-N 447.601 5.167 30 10 IKEE O=C1C(=Cc2ccc(-c3ccccc3)cc2)Oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc21 2314437415 LVNKVYWJDROHST-UHFFFAOYSA-N 449.462 6.457 30 10 IKEE CCN1C(=O)C(=Cc2ccc(Cl)cc2Cl)SC1=Nc1ccc(O)cc1C(=O)O 2314926136 BSONVBUOFDHRET-UHFFFAOYSA-N 437.304 5.021 30 10 IKEE CC#CCN(C[C@H](NCC)c1cccc(Cl)c1Br)C(=O)OC(C)(C)C 2316114797 WKAHNKRAVOQJNH-INIZCTEOSA-N 429.786 5.014 30 10 IKEE CSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1N=Cc1ccccc1F 2321355514 FVOOJLPCDBIAQQ-UHFFFAOYSA-N 439.343 5.340 30 10 IKEE Cc1cc(OCc2cccc(F)c2)cc2c1C(=O)C(=Cc1ccc(Br)cc1)O2 2321888564 SOTPELHBAXCMPO-UHFFFAOYSA-N 439.280 6.092 30 10 IKEE Sc1nnc([C@H]2CCCO2)n1N=Cc1ccccc1OCc1ccc(Cl)cc1Cl 2321934973 AKDDNPCYUNACIZ-GOSISDBHSA-N 449.363 5.186 30 10 IKEE CCCCOCCCN1COc2c(cc3c(c2C)OC(=Cc2cccc(F)c2)C3=O)C1 2322391420 RJGDEANHQHTPCS-UHFFFAOYSA-N 425.500 5.109 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)c1OCc1ccc(F)cc1 2322474680 KOZBUGFKCXWPOA-UHFFFAOYSA-N 441.842 5.871 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3cccc(C)c3C)c2)cc1 2323094460 RENXMFGHDFDGFU-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)c(C)c1 2323302985 VLUVHBZDMIDQCE-UHFFFAOYSA-N 427.544 6.142 30 10 IKEE COc1ccccc1C=C1Oc2cc(OC(=O)c3ccc(-n4cccc4)cc3)ccc2C1=O 2323675539 WWSOPLNKCRPWGG-UHFFFAOYSA-N 437.451 5.321 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O 2324335548 GCWDQYQCWDTEGJ-QGZVFWFLSA-N 445.490 5.719 30 10 IKEE C=CCOc1c(Cl)cc(C=CC(=O)c2cc(OC)c(Cl)cc2OC)cc1OCC 2324412626 CMPRRJPPZJDZAC-UHFFFAOYSA-N 437.319 5.870 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OCc2cccc3ccccc23)cc1 2324522576 NFJIZNZAUKVAHJ-UHFFFAOYSA-N 442.942 7.285 30 10 IKEE CCc1ccc(NC(=O)[C@H](CC)Oc2ccc3c(c2)OC(=Cc2ccc(C)o2)C3=O)cc1 2324816882 RBDRCCIVXUNVLD-QFIPXVFZSA-N 431.488 5.563 30 10 IKEE CCOc1ccccc1NC(=O)COc1ccc2c(c1)OC(=Cc1sccc1C)C2=O 2324893469 OEGVSOIIFOWKBX-UHFFFAOYSA-N 435.501 5.089 30 10 IKEE CCCCCCCCCOc1cc(C)c2c(c1)OC(=Cc1ccc(N(CC)CC)cc1)C2=O 2325196480 HTZWOBYUHQGIOM-UHFFFAOYSA-N 449.635 7.587 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C(C)C)cc4)ccc3C2=O)c1 2325318308 QOIOVUCXEAECKH-UHFFFAOYSA-N 427.500 5.752 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(C)nnc1SCc1c(F)cccc1Cl 2325642824 LOODYEFYSLMTHQ-UHFFFAOYSA-N 440.931 5.715 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(-c4ccccc4)cc3)c2)cc1 2325734661 PNVXUINUBXFNSZ-UHFFFAOYSA-N 448.518 6.868 30 10 IKEE CCOc1ccc(CC(=O)Oc2cc(C=CC(=O)c3ccc(C)cc3C)ccc2OC)cc1 2325735122 QJNWHYVUXUTRGJ-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3cc(C)ccc3C)c2)c(OC)c1 2325761259 OAPITXFQANMEOS-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE CSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1ccc(C(C)C)cc1 2325901840 GDJWJRAMFXZGKZ-UHFFFAOYSA-N 436.625 6.191 30 10 IKEE CCc1ccc(OCCCc2nnc(SC)n2N=Cc2ccccc2OC(C)C)cc1 2326287453 PMWLRWWGKUYEAN-UHFFFAOYSA-N 438.597 5.243 30 10 IKEE Clc1ccc(CSc2nncn2N=Cc2c(Cl)cccc2Cl)c(Cl)c1 2326697733 MMWJCCVKJYLLHQ-UHFFFAOYSA-N 432.163 6.066 30 10 IKEE C=CCOc1ccccc1C=Nn1c(COc2ccc(C)c(C)c2)nnc1SCC(=C)C 2328790137 LHNBOOFLFNHXDG-UHFFFAOYSA-N 448.592 5.589 30 10 IKEE C=C(C)CSc1nnc(COCc2ccccc2)n1N=Cc1cn(C)c2ccccc12 2329339682 ZTWANAKFDHGLAI-UHFFFAOYSA-N 431.565 5.037 30 10 IKEE Oc1ccc(C=Nn2c(Cc3ccccc3F)nnc2SCc2ccccc2F)cc1 2329743457 QJRWEMHARCXXMA-UHFFFAOYSA-N 436.487 5.027 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3F)n2N=Cc2ccccc2C)c1 2329745741 SKJPENMKAIBFMC-UHFFFAOYSA-N 444.579 6.108 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCc3cccc(F)c3)nnc2[C@@H](C)c2ccccc2)c1 2330078644 ZYQKDCKZRUIILL-SFHVURJKSA-N 446.551 5.758 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2)n1N=Cc1ccc([N+](=O)[O-])cc1 2330103693 UQJRSVQIITTYRF-GOSISDBHSA-N 443.532 5.513 30 10 IKEE CCCCCOc1ccc(C=Nn2c(CC3CCCCC3)nnc2SC)cc1OCC 2330221356 FRCRJZWSZSLJHZ-UHFFFAOYSA-N 444.645 5.973 30 10 IKEE CCCNC(=O)CSc1nnc(CC2CCCCC2)n1N=Cc1ccc(C(C)C)cc1 2330251942 BNLMIHDJGTUONG-UHFFFAOYSA-N 441.645 5.025 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)CSc3ccccc3)c(OC)c2)c1 2330800257 MIDGEDNXZIHSQB-UHFFFAOYSA-N 434.513 5.298 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3sccc3C)c([N+](=O)[O-])c2)cc1 2330833564 OQIQDCOOVDHCFV-UHFFFAOYSA-N 449.528 6.423 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)C3CCC3)c(OCC)c2)cc1 2330839691 NKIWVVQNOLTIPJ-UHFFFAOYSA-N 440.967 6.683 30 10 IKEE CC(C)COC(=O)CSc1nnc(CC(C)(C)C)n1N=Cc1cccc2ccccc12 2330872445 GRZJGRWPJWUUDD-UHFFFAOYSA-N 438.597 5.193 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1Cl)c1ccc2c(c1)OCO2 2330919369 GJRMCCXIQWEILO-UHFFFAOYSA-N 441.266 5.837 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)Cc2ccc(F)c(C)c2)c([N+](=O)[O-])c1 2331066156 RGNLGKLASARROP-UHFFFAOYSA-N 449.434 5.095 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3F)cc2)c1 2331084424 WPBRRVYICNIZPJ-UHFFFAOYSA-N 436.454 5.934 30 10 IKEE Fc1cccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C2CCCC2)c1 2331094135 FWRLXUYERQAXNE-UHFFFAOYSA-N 449.382 6.556 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3sccc3C)c(OCC)c2)cc1 2331208110 FFAHNGPGKAZBHJ-UHFFFAOYSA-N 436.529 5.969 30 10 IKEE Clc1cccc(Cl)c1C=Nn1c(SCCc2ccccc2)nnc1-c1ccco1 2331211539 ZWHUGMMMBQPEDF-UHFFFAOYSA-N 443.359 6.062 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1 2331295576 CYPKKLCBVRAXIM-UHFFFAOYSA-N 436.507 6.744 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1N=Cc1ccc(C)cc1 2331334026 ZAFCMTMTSYFQFA-UHFFFAOYSA-N 435.597 5.159 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(C(=O)O)cc1 2331467597 JDDBYIOTLGYIBS-UHFFFAOYSA-N 428.945 5.003 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2)c1 2331491499 LDJFYWCJHRKGJI-UHFFFAOYSA-N 428.528 6.253 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(N(C)C)cc2)cc1 2331875072 GWXXLGNMASLKGX-UHFFFAOYSA-N 435.907 5.530 30 10 IKEE CCN[C@@H](C#CC1CC1)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2337423888 FNSQUHKWYJPPRD-LITSAYRRSA-N 441.571 5.270 30 10 IKEE C=CC[C@@H]1CCCC[C@@H]1NCc1ccc(I)c(Br)c1 2349855211 MCAAWBBSBFYDGK-CJNGLKHVSA-N 434.159 5.278 30 10 IKEE CO[C@@H](C#C[C@@H](O)c1cc(NC(=O)OC(C)(C)C)ccc1Br)C1CCCC1 2369515024 IJVWSBBZZKCFLL-MOPGFXCFSA-N 438.362 5.038 30 10 IKEE C=CCC1([C@H](N)c2c(C)c(C)c(Br)c(C)c2C)CN(C(=O)OC(C)(C)C)C1 2372272680 UZSKAXLKSJWFRL-LJQANCHMSA-N 437.422 5.496 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1ccc(C(C)(C)C)cc1 14101765 QEXMXBCGTQDCQO-UHFFFAOYSA-N 442.535 5.438 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2OCCC)cc1 21221469 QRQBIKCETMBWES-KNQAVFIVSA-N 433.548 5.269 30 10 IKEE CCCCOc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(OCC)cc1)C2 21253490 QRFGYEPVKGWHDT-DENIHFKCSA-N 433.548 5.269 30 10 IKEE CCc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2Cl)cc1 21253945 WVLXGWIRERQJOY-PPHZAIPVSA-N 428.963 6.882 30 10 IKEE CCn1nc(C)c(CCN/C(=N\C(=O)c2ccc(F)cc2)Nc2ccc(C(C)C)cc2)c1C 32973287 OMANEKXMTXNAGL-UHFFFAOYSA-N 449.574 5.223 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C/c1c(F)cccc1Cl)C2=O)OCc1ccccc1 34762065 HSRAAYBBALNIEF-WSDLNYQXSA-N 438.838 5.218 30 10 IKEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@H]3c3ccc(Cl)cc3)ccc2O1 35023702 KWEUESAFPMBFIC-PEBXRYMYSA-N 449.890 5.035 30 10 IKEE COc1c(Br)cc(CNc2ccc(C#N)c(Cl)c2)cc1Br 37253322 RRWVQDUTJQRPEQ-UHFFFAOYSA-N 430.527 5.357 30 10 IKEE CC(C)c1ccc(Nc2sc3c(-c4ccccc4)c(C#N)c(N)nc3c2C(N)=O)cc1 39895246 ZFJBXZFPHMAPOT-UHFFFAOYSA-N 427.533 5.383 30 10 IKEE Cc1cc(C)cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=S)Nc2ccccc2)CCC3)c1 40825109 QUVOKBSPHVCRHH-NHFJDJAPSA-N 447.560 5.451 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4cccc(C)c4)c3C)C2=O)cc1OC 41355087 XLSKGSWNKZROLZ-UCQKPKSFSA-N 430.456 5.156 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCC(=O)OCc3ccccc3)cc(C)c2C1=O 41432608 DQEQGZNVHVWTAW-OYKKKHCWSA-N 444.483 5.132 30 10 IKEE C/C(CC(C)C)=N\Nc1nc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n[nH]1 59891771 AHAMMFUURZNBLH-YSURURNPSA-N 448.902 5.042 30 10 IKEE CCN1/C(=C2\S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)Sc2ccccc21 100201986 OKJDGXVIQVUENO-PSBCSISTSA-N 435.618 6.384 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)S/C1=N/c1ccncc1Cl 101127112 MSQBTMMXJRVVSU-PMAZNBEWSA-N 430.316 5.882 30 10 IKEE COc1ccc2c(c1)c(/C=C1\Oc3c(ccc(OC(=O)C4CCCCC4)c3C)C1=O)cn2C 103024588 ZFISQKDUXOBPSZ-CFRMEGHHSA-N 445.515 5.597 30 10 IKEE N#Cc1ccc(-n2cc3c(-c4cnc5ccccc5c4)cccc3n2)cc1Br 113799961 GRCIPJBSFWHMJA-UHFFFAOYSA-N 425.289 5.875 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1ccccc1OC 169946268 CRAPCXTWAPXEMJ-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CN(C)c1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccccc2)cc1 169953328 ATHVOTIWXWUJOO-DEOSSOPVSA-N 438.483 5.282 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1cccs1)c1cccc(Cl)c1 169983879 CZCJBEIWMBQKTD-SFHVURJKSA-N 431.847 5.463 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@@H]1c1ccc(C)o1 170100876 SPEFYRDNUJECDU-HXUWFJFHSA-N 441.842 5.172 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2OC)c1 170122347 COLSWKOIKLPBPL-XMMPIXPASA-N 443.499 5.267 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccccn2)cc1C 170172149 VSRUWRZGVGIYJI-VWLOTQADSA-N 434.495 5.635 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccn1 170174760 XFDMWAHNPVRBFU-DEOSSOPVSA-N 436.467 5.026 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccccn2)c1 170175230 LPGKMOFWWTYPIE-DEOSSOPVSA-N 436.467 5.032 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@@H]1c1ccc(Cl)cc1 170236293 WXJIQHDOIUGTDP-SFHVURJKSA-N 448.744 5.399 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2c2ccccc2)cc1 170265620 KUJMNMMPVFZMBJ-QHCPKHFHSA-N 431.463 5.180 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(OCC(C)C)c2)=C(O)C(=O)N1C1CCCC1 170278319 BJZXRBSXAMMYJK-XMMPIXPASA-N 433.548 5.551 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(F)c(F)c2)o1 170299368 RVSTYNQMPLJYKI-IBGZPJMESA-N 429.806 5.303 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccc(C)o2)c(OC)c1 170302031 MTHGIWCHCDMOKE-HSZRJFAPSA-N 447.487 5.005 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccc(C)o1 170303316 UZEBRWWEADVILL-FQEVSTJZSA-N 441.842 5.172 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C)o2)cc1C 170307107 OVXQSJYAHMTZPV-JOCHJYFZSA-N 435.476 5.057 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1sccc1C 170313765 VVHIGVKFNZYRGM-LJQANCHMSA-N 441.455 5.126 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2c(C)[nH]c3ccccc23)cc1C 170404265 WBZFIGWYQFGCFS-DEOSSOPVSA-N 437.499 5.271 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(C(C)C)cc2)cc1 170422292 FHOWYOJRUBZEJF-QHCPKHFHSA-N 447.556 5.659 30 10 IKEE Cc1cc(-n2ncc(C#N)c2Nc2nnc(-c3cccs3)s2)nc2c(C)cccc12 170547574 CIYPHGKNMTWDLY-UHFFFAOYSA-N 429.534 5.233 30 10 IKEE O=S(=O)(c1ccc(N=Cc2cc(Cl)cc(Cl)c2O)cc1)N1CCc2ccccc21 252462800 WKILLFFPZWWTBN-UHFFFAOYSA-N 447.343 5.201 30 10 IKEE O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=Nc2ccccc2)N1c1ccccc1 252626256 QZFGQBJWAPWRSN-RLPJPJOASA-N 425.340 6.802 30 10 IKEE Oc1c(Br)cc(Br)cc1C=Nc1ccc2c(c1)oc1ccccc12 252636287 XGKWEWUSJCSWDJ-UHFFFAOYSA-N 445.110 6.567 30 10 IKEE 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@@H]3CC[C@]21C 254620101 KAIVGEVOBNIWLR-OQVQRECFSA-N 428.657 5.705 30 10 IKEE endogenous,in-man CN1C(=O)/C(=C\c2ccccc2OCc2ccccc2)SC1=Nc1ccc(C(=O)O)cc1 254814443 FTZSQGZINRKOTN-XKEFNESHSA-N 444.512 5.198 30 10 IKEE COc1ccc(C=Nc2ccccc2CCc2ccccc2N=Cc2ccc(OC)cc2)cc1 257351095 CBNZDEGAHIIYIW-UHFFFAOYSA-N 448.566 6.990 30 10 IKEE CSc1cccc(Nc2ccc(Br)c(I)c2)c1C#N 311528831 GJZTXPWXPFQGRP-UHFFFAOYSA-N 445.123 5.391 30 10 IKEE CN(C)c1ccc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526518148 WXAVWCLTSCNCJP-QHCPKHFHSA-N 429.907 5.335 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1ccc(OCC(C)C)cc1 526803121 RRZCNOCAKFVDGV-QFEZKATASA-N 426.561 5.579 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccc(OC)c(OC(C)C)c1 526807115 IHZKLAGOVNVWHA-CFRMEGHHSA-N 444.988 5.464 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1cccc(OCCC)c1 526807123 IVLHQQWIEYCXBF-XYGWBWBKSA-N 443.016 6.237 30 10 IKEE Cc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1cccc(OCC(C)C)c1 526817026 FQACCJMJWBVRRN-MYKKPKGFSA-N 432.952 5.588 30 10 IKEE CCOc1cc(/C=N\n2c(CC)nnc2SCc2ccc(C#N)cc2)ccc1OC(C)C 526823004 QGVGVHOERNXZOJ-YSMPRRRNSA-N 449.580 5.073 30 10 IKEE CCCOc1ccc(/C=N\n2c(C)nnc2SCc2ccc(Cl)cc2Cl)cc1 526823115 FOYDQIGYQATMHF-FMCGGJTJSA-N 435.380 5.857 30 10 IKEE C=CCN(CC=C)C(=O)Nc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 586653454 UXQHTTPUMNUCMF-UHFFFAOYSA-N 439.559 5.735 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@]1(C#N)CCc2ccc(Br)cc21 698892329 NEXRQUFCBKOHFX-NRFANRHFSA-N 431.305 5.695 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@@H](C#N)CN(C(=O)OC(C)(C)C)C(C)(C)C 698940720 BGBFCQJBXQOJKI-SFHVURJKSA-N 435.540 5.495 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2c(F)cccc2Br)cc1 698977269 GBQZZAZAAFUIHW-QGZVFWFLSA-N 435.293 5.603 30 10 IKEE COc1ccc(N=Cc2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)cc1Cl 1084072865 JIGGVHUMXNHPMP-UHFFFAOYSA-N 425.868 5.385 30 10 IKEE Cc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3cccs3)C(=Nc3ccccc3)S2)c(C)c1 1084540934 PNPMPSGIYQASHG-OAQYLSRUSA-N 449.601 5.525 30 10 IKEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1CCCC1(C)C 1705482149 TXASPOVKJKCZRZ-CVEARBPZSA-N 445.405 5.000 30 10 IKEE Cc1c(N=Nc2ccc(-c3ccccc3)cc2)c(O)n(CCc2ccccc2)c(=O)c1C#N 1772741062 SMXPXEMBDKMOAL-UHFFFAOYSA-N 434.499 6.059 30 10 IKEE O=C(ON1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1Sc1ccc(Cl)cc1 1772792875 PWFADAAORUYEKM-UHFFFAOYSA-N 444.295 5.513 30 10 IKEE Fc1c(F)c(F)c(-c2ccc(Cl)nc2-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F 1848358476 HQHMKEFJIJPJEY-UHFFFAOYSA-N 445.643 6.460 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)c1ccccc1Br 1861018666 XOEGWNKVPYNDAT-FQEVSTJZSA-N 439.438 5.605 30 10 IKEE CCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)c1c(Cl)ccc(Cl)c1OC 1861149809 XQWZVPYZRNDODI-OAQYLSRUSA-N 431.404 5.377 30 10 IKEE CCCCCCCCCCNC(=O)c1cc(CCc2ccccc2)n(-c2ccccc2)n1 1862317030 OBFHBCJJSAGUBU-UHFFFAOYSA-N 431.624 6.528 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(C)cc1 1862429718 SYCLWJCATYRLCS-WMZHIEFXSA-N 439.983 6.586 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1c(F)cccc1Cl)c1cccc(Cl)c1 1862449319 JFGGLSYMNQVSES-HXUWFJFHSA-N 448.321 6.044 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@H]2c2cccc(O)c2)cc1 1862475359 JWBKKNUMSXQQSI-QFIPXVFZSA-N 433.891 5.133 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(C(C)C)cc2)c1 1862491734 ZUMVHDILZBUXKU-RUZDIDTESA-N 431.576 6.338 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 1862536379 XABSJYXBPJDYIW-XMMPIXPASA-N 445.946 5.989 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1c(Cl)cccc1Cl)c1ccc2c(c1)CCCC2 1862554001 SDLDVGBYAVMNIM-OAQYLSRUSA-N 442.342 5.613 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2cccc(F)c2)cc1 1862556265 RZVAXRYPKQFBLR-VOIUYBSRSA-N 444.506 5.310 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccccc1Cl 1862594904 JAEBLYCHXRXBHX-JOCHJYFZSA-N 441.955 5.984 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2[C@H](C)CC)ccc1O 1862668541 BIJSJKWRUYYIBI-WAIKUNEKSA-N 437.536 5.291 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCCc2ccccc2)[C@@H]1c1ccccc1F)c1ccc(F)cc1 1862674096 SLKFJFKDLYIYJO-XMMPIXPASA-N 447.481 5.566 30 10 IKEE N#Cc1ccc(NC2=C(c3cccc4ccccc34)C(=O)N(c3ccccc3F)C2=O)cc1 1862842211 XFQJDTKKFQHEEL-UHFFFAOYSA-N 433.442 5.247 30 10 IKEE CSc1cccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3cc(C)ccc3C)C2=O)c1 1863034014 QVSBOFMJRMZRKI-UHFFFAOYSA-N 439.540 5.294 30 10 IKEE COc1ccc([C@@H]2CN(c3cc(Nc4cccc(C#N)c4)nc(C(C)C)n3)CCS2)cc1 1868221250 HDSWPCSHEBGHTI-QFIPXVFZSA-N 445.592 5.518 30 10 IKEE CCCc1nc(Nc2cccc(C#N)c2)cc(N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)n1 1868378698 RJWBGENARKQYCL-DEOSSOPVSA-N 439.607 6.683 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)c2cccc3ccccc23)n(-c2cccc(Cl)c2)n1 1870002352 LDVLPYKDNITZJK-UHFFFAOYSA-N 443.938 5.505 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCCOc2ccc(CC)cc2)cn1CC(C)C 1870453641 BCCYWZVLGGBEDC-UHFFFAOYSA-N 438.612 5.089 30 10 IKEE C=CCn1cc(OCc2ccc(OC)c(F)c2)c(=O)cc1CNc1cccc(Cl)c1 1870806538 OGQMUUPIZQZXKF-UHFFFAOYSA-N 428.891 5.027 30 10 IKEE C=CCOc1cn(CCCCCCCCCC)c(CNc2ccc3cc[nH]c3c2)cc1=O 1870812957 PXYLIZPVNINBCT-UHFFFAOYSA-N 435.612 6.647 30 10 IKEE CCCCCCCOc1cn(CC)c(CNc2ccc(OCC)c(OCC)c2)cc1=O 1870835723 GFEQEGMATXZIPA-UHFFFAOYSA-N 430.589 5.627 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OC)c(=O)cc1CNc1cccc(Cl)c1 1870872654 QAQQIBPVRNANAQ-UHFFFAOYSA-N 434.964 5.026 30 10 IKEE CCCCCCCCCCn1cc(OC)c(=O)cc1CNc1ccc(C(C)(C)C)cc1 1870997848 DAVHWEDRUFYWSH-UHFFFAOYSA-N 426.645 6.907 30 10 IKEE CCCCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CNc1ccc(C)cc1 1871255589 OSRQSYXDOJNNKL-UHFFFAOYSA-N 440.672 7.334 30 10 IKEE CCCCC[C@@H](CC)N1COc2ccc3c(c2C1)O/C(=C\c1cn(C)c2ccccc12)C3=O 1871347787 VWDBDGZGQDPZBC-RWTUPJDWSA-N 444.575 6.305 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3cc(OC(=O)c4ccc(C)c(C)c4)ccc3C2=O)c1 1871372863 PCPXNJMKCUAQBT-CFRMEGHHSA-N 430.456 5.156 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OC(=O)c3cccc(OC(C)C)c3)ccc2C1=O 1871387394 SLJMANZTBYXERU-MYYYXRDXSA-N 444.483 5.708 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871389038 HDJYFRXGWVFKCD-FYPXMSKISA-N 440.451 5.394 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCCCCOc4ccccc4)ccc3C2=O)c1OC 1871403268 ILWBDODJIGKXFC-UQQQWYQISA-N 446.499 5.558 30 10 IKEE CC(C)OC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871404707 OVBQKQAXPYLKPX-CFRMEGHHSA-N 432.447 5.586 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCCCCOc4ccc(C)cc4)cc(C)c3C2=O)c1 1871405433 RDUDBWMEZLDTNH-ONUIUJJFSA-N 444.527 6.166 30 10 IKEE CCc1ccc(OCCCOc2cc(C)c3c(c2)O/C(=C\c2sccc2C)C3=O)cc1 1871412797 FANSKKBWHVUOIC-KQWNVCNZSA-N 434.557 6.391 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OC(c3ccccc3)c3ccccc3)cc(C)c2C1=O 1871431309 NQGCBJLXSOAYEO-IMRQLAEWSA-N 448.518 6.788 30 10 IKEE Cc1c(OCC(=O)Nc2nccs2)ccc2c1O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871442276 JMXZIGSIBQJWAR-NDENLUEZSA-N 434.517 5.209 30 10 IKEE C=CCN([C@@H](CC)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1cc(C)ccc1C 1872019677 YRKXTGUPRWSIDR-QFIPXVFZSA-N 442.625 5.195 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccccc1C)[C@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872441349 NKVXOFYDNOXTPQ-DVECYGJZSA-N 442.625 5.232 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1cccs1 1872497068 QXCLFBQAMBAKMK-GOSISDBHSA-N 441.018 5.084 30 10 IKEE COc1ccccc1-c1csc([C@H](C#N)C(=O)CCCOc2ccccc2Cl)n1 1872767341 QUWARXCWZRBLQR-MRXNPFEDSA-N 426.925 5.508 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)c3c(Cl)ccc(Cl)c3Cl)n2)c(C)c1 1872769482 SSWITRNHMJEFED-CYBMUJFWSA-N 435.763 6.877 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(Br)c3)n2)cc1F 1872775492 RPEXYRSSCDQQRM-CQSZACIVSA-N 431.286 5.210 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)[C@@H](C#N)c1nc(-c2ccc(C(C)C)cc2)cs1 1872776566 RZYHBVURLPOIAI-OAHLLOKOSA-N 445.371 6.739 30 10 IKEE N#C[C@@H](C(=O)CCOc1ccccc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872777974 ANPRSHIXAITHKG-QHCPKHFHSA-N 440.524 6.248 30 10 IKEE CCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3cc(OCC)ccc3OCC)cs2)cc1 1872780893 NABXQRSEUBAQJH-HXUWFJFHSA-N 436.533 5.496 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@@H](C#N)C(=O)Cc2ccc(Cl)c(Cl)c2)n1 1872780914 NGVXMJAUWZNICW-INIZCTEOSA-N 445.371 6.161 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)c2ccc(-n3cccc3)cc2)n1 1872786583 NPIBDJCLOZWING-HXUWFJFHSA-N 447.947 6.061 30 10 IKEE Cc1nc(SCc2cccc(C(=O)Nc3ccc(F)c(F)c3F)c2)c(C#N)c(C)c1C 1872893008 BZCROMNQPOULHJ-UHFFFAOYSA-N 441.478 5.840 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)NCCCCCCCC)n2CC(C)C 1873577557 XPIIXQRUKLEDSN-UHFFFAOYSA-N 425.621 5.356 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)cc2C)cc2c(NCCc3ccccc3)ncnc21 1873606997 JOCYGMOQXIXZKC-UHFFFAOYSA-N 425.536 5.141 30 10 IKEE C=CCn1c(C(=O)Nc2ccccc2C)cc2c(NCCc3ccc(C)cc3)ncnc21 1873616885 MOSMQWANWGTNQW-UHFFFAOYSA-N 425.536 5.141 30 10 IKEE N#Cc1cccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCCC3)C23CCCCC3)c1 1873867239 SFEJVQXGJACUOK-VWLOTQADSA-N 441.575 5.772 30 10 IKEE CCCCCCCCNC(=O)COc1ccc2cc(-c3cc(F)cc(F)c3)c(=O)oc2c1 1873886233 MZFOMHPORBRENB-UHFFFAOYSA-N 443.490 5.594 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCC=C)n1/N=C/c1ccc(C(C)C)cc1 1874228364 GCXUYQGNNOIUDC-YZSQISJMSA-N 448.592 5.706 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3Cl)n2/N=C/c2cccnc2)cc1 1874276057 SKOBHCITTMPZGV-JVWAILMASA-N 447.995 5.595 30 10 IKEE Cc1ccc(CSc2nnc(CCCOc3ccccc3)n2/N=C/c2ccncc2)cc1 1874315417 RHSGONZANKZTNT-OVVQPSECSA-N 443.576 5.168 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccccc3)n2/N=C/c2cccc(O)c2)cc1 1874382400 NMNDCDIWKRIDCF-MFKUBSTISA-N 430.533 5.046 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2/N=C/c2ccccc2C)cc1 1874465410 IATXTGOSXKKLDB-MFKUBSTISA-N 445.548 5.022 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(Cl)cc1Cl 1874477212 PHEZQGOOLAKRIQ-WYMPLXKRSA-N 437.371 6.241 30 10 IKEE Cc1ccccc1CSc1nnc(CC(C)C)n1/N=C/c1ccc(Br)cc1 1874489007 VMRHRDAZVOGBQX-YDZHTSKRSA-N 443.414 5.722 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C2CC2)cc1 1874518619 BWITUGLXYJFBSL-OEAKJJBVSA-N 437.525 5.027 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCc2cccc(C)c2)cc1 1874574104 VMPGVHBKJYQVLI-CCEZHUSRSA-N 448.990 7.475 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C)cc2)c1OCC(=O)Nc1cc(C)cc(C)c1 1874580111 YEVLQGUFTLXKIO-OUKQBFOZSA-N 429.516 5.534 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OCc3cccc(F)c3)c(Cl)c2)c1 1874619243 RAUPGQLDWVLGKI-RMKNXTFCSA-N 426.871 5.971 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OCc1ccccc1F 1874625199 QUGINSQOSTZHPY-KPKJPENVSA-N 428.862 6.492 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OCC(=O)Nc2ccccc2F)cc1 1874635180 IHGDWWLWUUVISG-FOWTUZBSSA-N 445.534 6.345 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(OC(=O)C3CCC3)c(OC)cc2Br)cc1 1874694664 OMGPRSKTVJFEFA-VAWYXSNFSA-N 443.337 5.622 30 10 IKEE COc1cccc(C(=O)/C=C/c2cccc(OC(=O)c3cc(Cl)ccc3Cl)c2)c1 1874695144 MOVGEJCLIRLEMV-DHZHZOJOSA-N 427.283 6.117 30 10 IKEE CCc1ccccc1OCC(=O)Oc1cccc(/C=C/C(=O)c2ccc(OC)c(C)c2)c1 1874696372 VDHJLBGGRWNNEX-WYMLVPIESA-N 430.500 5.447 30 10 IKEE Cc1ccsc1C(=O)Oc1cccc(/C=C/C(=O)c2ccc(Br)cc2)c1 1874696741 FCOXSIGTLAHKRR-BJMVGYQFSA-N 427.319 5.934 30 10 IKEE COc1cccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3c(C)cc(C)cc3C)c2)c1 1874716486 UWYKSBDZFFKDHG-ACCUITESSA-N 428.528 6.055 30 10 IKEE CCCCCCC(=O)Oc1cccc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)c1 1874717135 ANTGEMDJXOBPLM-FYWRMAATSA-N 426.509 5.484 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cccc(C)c3)c2)cc1C 1874717861 MTFORUAFAZVGIT-PKNBQFBNSA-N 430.500 5.744 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)C(F)(F)F 1875083021 ZRLLRRFHZORBIP-RIYZIHGNSA-N 440.417 6.116 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)ccc1OC(=O)c1cccc(C)c1 1875109492 PZRFHNAWRUMBJA-FMIVXFBMSA-N 430.500 5.826 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl 1875128709 QQYQMYIUPKPIHE-CUHRTYRFSA-N 446.930 6.344 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)c1ccc(-n2cccc2)cc1 1875128860 YIZXWVMOWPIKLM-MHWRWJLKSA-N 437.495 5.991 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)c1ccc(OC(C)=O)cc1 1875128887 ZRBREWFJNIUGFD-OQLLNIDSSA-N 430.456 5.126 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)c1cccc(OC)c1 1875129317 VTWWSMVDNOFIGQ-CCEZHUSRSA-N 428.484 5.548 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3cc(F)ccc3F)cc2)cc1 1875129523 GZFXYRJGDHQJAO-LHHJGKSTSA-N 438.426 5.244 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)c(C)c1 1875131014 DDCHAVRVSGOYIL-WUXMJOGZSA-N 425.311 6.726 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3c(C)cccc3C)cc2)cc1 1875132197 JTMZVMXSMPNIJH-QGOAFFKASA-N 428.528 6.273 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1[N+](=O)[O-] 1875139501 LRMPIGBFUWDERJ-ZRDIBKRKSA-N 431.444 5.336 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(Br)c1OC(C)=O 1875149263 GZXXVRTXHLMSIJ-KPKJPENVSA-N 445.353 5.967 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)c(F)c3)c(Cl)c2)cc1C 1875175517 TZCCXIATURNYDH-RUDMXATFSA-N 426.846 6.350 30 10 IKEE COCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1OC 1875191598 VBMWYNYAWMMBIA-ZZXKWVIFSA-N 443.710 5.493 30 10 IKEE N#Cc1ccc(OC2CCN(C(=O)c3cc(-c4ccccc4)nc4ccccc34)CC2)cc1 1891334713 VFWQJZFCLXGYLM-UHFFFAOYSA-N 433.511 5.457 30 10 IKEE N#Cc1ccc(C(=O)NCCSc2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)c(F)c1 1891779295 KPGMTCGLIJOIGD-UHFFFAOYSA-N 449.938 6.021 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@]1(C#N)C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 1909322069 MRWVKHVRSCLJTD-MXBUBSDBSA-N 425.533 5.202 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](O)c1ccc(Cl)c(Br)c1 1922069883 UWUUVIMBGKBWSW-SFTDATJTSA-N 438.793 5.277 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)C1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1953246732 QDTSWHMHZZSGNH-OALUTQOASA-N 443.588 5.209 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1978279969 PDMDOHRRHJEVFV-OPAMFIHVSA-N 435.590 5.024 30 10 IKEE C=CCCCCCC[C@@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCC 2026013210 VUJBAFDYKZFDCF-ZEQRLZLVSA-N 432.649 5.991 30 10 IKEE CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 2032484298 QARYKJUHZMGJEI-KBMIEXCESA-N 449.636 5.732 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)c(F)c3)=C(O)C(=O)N2Cc2cccs2)cc1 2033814506 UYSINBXMIKONAN-FQEVSTJZSA-N 425.456 5.113 30 10 IKEE CCCCCCCCC[C@@H](NCCC)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2034429054 DODWEJVQIPHRRJ-RPBOFIJWSA-N 448.692 6.605 30 10 IKEE CCOC(=O)c1c(C(C)(C)C)nn(Cc2ccc(F)cc2C(F)(F)F)c1C(F)(F)F 2079033545 XEFIPIWAIAWWRF-UHFFFAOYSA-N 440.359 5.582 30 10 IKEE CC(C)c1nn(-c2cc(C(F)(F)F)cc(F)n2)c(C(F)(F)F)c1C(=O)OC(C)(C)C 2079242934 IRPHMJZKPIKVSD-UHFFFAOYSA-N 441.347 5.523 30 10 IKEE CC(C)Oc1ccc([C@@H](C)n2nc(C(C)(C)C)c(C#N)c2I)cc1 2080055954 MPZCYDGSKUDLLR-CYBMUJFWSA-N 437.325 5.053 30 10 IKEE CCC[C@@]1(Nc2ccc(C#N)c(Br)c2F)CCN(C(=O)OC(C)(C)C)C1 2105994918 HOLHHBSRMICWLG-LJQANCHMSA-N 426.330 5.051 30 10 IKEE CCOc1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)[C@H](C)CC)cc(Br)c1O 2131261561 LVXFZBBWUHAPJZ-IUODEOHRSA-N 427.339 5.154 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1ccc2[nH]ccc2c1 2145028483 LBXVJAXHCYHBER-IBGZPJMESA-N 426.314 5.937 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1ncoc1C1CCC1 2169513993 GHRIXQYXGUYWCN-INIZCTEOSA-N 432.318 5.711 30 10 IKEE C[C@H](c1cccs1)N(Cc1ccccc1)Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2214515298 NXJJIEPBJMRPJX-GOSISDBHSA-N 439.455 5.872 30 10 IKEE CC1(C)CC(=O)C=C(c2sc(Br)c(Br)c2Br)C1 2216398819 XRLCZSYOYSDXEY-UHFFFAOYSA-N 442.998 5.808 30 10 IKEE C=CCCCCCCCC(=O)c1ccc(I)c(Br)c1 2227288111 SERZEAIRRLSCJT-UHFFFAOYSA-N 435.143 6.153 30 10 IKEE C=C(F)C[C@@H](OCCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2263087240 LLATYDCPPDVOPU-AREMUKBSSA-N 435.539 6.124 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1sc(Br)c(C)c1C 2265903981 IDDXYEAHQIELDZ-HOTGVXAUSA-N 443.451 5.475 30 10 IKEE CCN[C@@H](CC#CC1CCCC1)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2289840875 WGLQUPIMJUOKEY-FQEVSTJZSA-N 435.406 6.030 30 10 IKEE CCN1C(=O)C(=Cc2cc(C)n(-c3ccccc3F)c2C)SC1=Nc1ccc(OC)cc1 2293628338 RGESGHJANGBKBU-UHFFFAOYSA-N 449.551 5.866 30 10 IKEE CN[C@@H](C#Cc1cccc(Br)c1)c1cccc(NC(=O)OC(C)(C)C)c1F 2296215942 FVSVNVYINMWSDC-KRWDZBQOSA-N 433.321 5.247 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)C(CC)(CC)CNC(=O)OC(C)(C)C 2296219505 PBMZKALVDOVPEB-LJQANCHMSA-N 437.422 5.110 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)CCCCCNC(=O)OC(C)(C)C 2296295414 COPPBWLLERDAPA-HXUWFJFHSA-N 437.422 5.254 30 10 IKEE COc1ccc(COc2ccc3c(c2)OC(=Cc2ccc(Br)cc2)C3=O)cc1 2314437589 QMSRTDDKONQAJW-UHFFFAOYSA-N 437.289 5.653 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C=CC(=O)c2ccc(OCc3ccccc3)cc2)cc1 2314493037 VETOXKUGHRAVPE-UHFFFAOYSA-N 429.516 6.509 30 10 IKEE CCn1cc(C=C2Oc3cc(OCc4ccccc4Cl)cc(C)c3C2=O)c2ccccc21 2321762225 ORWOQDMMPNWDCS-UHFFFAOYSA-N 443.930 6.818 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 2322312084 JVTVFMYLRZRKHT-UHFFFAOYSA-N 438.823 5.632 30 10 IKEE COc1ccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3ccccc3F)C4)C2=O)cc1 2322350279 SFYUDZDOULSQBD-UHFFFAOYSA-N 431.463 5.111 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccc(C)cc2)cc1 2322391427 VCJYKASBLHFEFQ-UHFFFAOYSA-N 427.544 6.251 30 10 IKEE COC(=O)c1ccc(C=C2Oc3c(cc4c(c3C)OCN([C@@H]3CCCC[C@@H]3C)C4)C2=O)cc1 2322391849 WOXGDILIJKVGJU-KSFYIVLOSA-N 447.531 5.128 30 10 IKEE COC(=O)c1ccc(C=C2Oc3c(cc4c(c3C)OCN([C@@H]3CCCC[C@H]3C)C4)C2=O)cc1 2322391850 WOXGDILIJKVGJU-OPAMFIHVSA-N 447.531 5.128 30 10 IKEE CCc1ccc(C=C2Oc3c(cc4c(c3C)OCN(CCCc3ccccc3)C4)C2=O)cc1 2322427717 NLVPYEYEWGFOAA-UHFFFAOYSA-N 439.555 5.958 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccccc2OCc2c(Cl)cccc2Cl)cc1 2322549351 IDHKIPLNMHWDNP-UHFFFAOYSA-N 427.327 6.867 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(C(C)C)cc2)c1OCc1cccc(C)c1 2322736493 JGDNQMGRIVGTOD-UHFFFAOYSA-N 434.963 7.256 30 10 IKEE COc1ccc(CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1 2322904360 LNSNEOHXZQMZSQ-UHFFFAOYSA-N 442.511 5.891 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OCc1nc(O)c2ccccc2n1 2323168705 USRDNJRMTBFWKI-UHFFFAOYSA-N 444.462 5.267 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)cc1C 2323557601 HAMZOEXDHNTFLB-UHFFFAOYSA-N 440.898 6.280 30 10 IKEE CSc1nnc(Cc2ccccc2)n1N=Cc1ccc(OC(C)C)c(Br)c1 2323582507 ALBOWSPTWIWOAM-UHFFFAOYSA-N 445.386 5.023 30 10 IKEE CC(C)=CC(=O)Oc1cc(C)c2c(c1)OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O 2323719499 ZISSBPHJHWYFTO-UHFFFAOYSA-N 426.852 5.003 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)CCc4ccccc4)cc(C)c3C2=O)c(OC)c1 2323720898 RBZHZLPYTUUDKD-UHFFFAOYSA-N 444.483 5.167 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Cl)c1OCc1cc(C)ccc1C 2323852209 SERKSWBTXPLQOW-UHFFFAOYSA-N 434.963 7.057 30 10 IKEE Cc1ccc(C)c(COc2ccc(C=CC(=O)c3ccc4c(c3)OCO4)cc2[N+](=O)[O-])c1 2324090753 HHDDYXDDNMXDQY-UHFFFAOYSA-N 431.444 5.415 30 10 IKEE CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1ccc(C)o1)C2=O 2324325112 KTBQSMJLJRSLLG-INIZCTEOSA-N 433.460 5.009 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2F)C3=O)c(C)c1 2324494530 WTKSVFWDCNQBBJ-SFHVURJKSA-N 445.490 5.773 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OCc1cccc(C)c1 2324547662 NUJIGFBNBSHSOI-UHFFFAOYSA-N 430.544 6.413 30 10 IKEE CCCC[C@H](Oc1cc(C)c2c(c1)OC(=Cc1cn(C)c3ccc(OC)cc13)C2=O)C(=O)O 2324781978 RLJYHLBUGLGNER-NRFANRHFSA-N 449.503 5.134 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCc4ccc(C(=O)OC(C)C)o4)c3C)C2=O)cc1 2325387946 DYDMXEFXFJUFMR-UHFFFAOYSA-N 432.472 5.657 30 10 IKEE Cc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccccc2F)cc1 2325448824 LNALJOAOWCGDIL-UHFFFAOYSA-N 430.552 5.685 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(CC)cc1 2325535502 NBLWQNBGINHWCS-UHFFFAOYSA-N 447.435 6.664 30 10 IKEE CCOc1cccc(C=CC(=O)C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1 2325652881 GPYRRGCMQURNQR-UHFFFAOYSA-N 442.540 5.891 30 10 IKEE Clc1ccc(CSc2nncn2N=Cc2c(Cl)cccc2Cl)cc1Cl 2325668713 AQKBIDSWPGZSMN-UHFFFAOYSA-N 432.163 6.066 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OC(=O)Cc1ccc(Cl)cc1 2325735148 ZLKDHXTVQNNELC-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE Cc1cc(C(=O)C=Cc2cccc(OC(=O)c3cc(Cl)ccc3Cl)c2)ccc1F 2325741952 KNVVVOZMPHUMOA-UHFFFAOYSA-N 429.274 6.556 30 10 IKEE CCCc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3cc(C)ccc3OC)c2)cc1 2325743440 UDYZDODKCAXJNB-UHFFFAOYSA-N 444.527 5.837 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1OC(=O)CC1CCCCC1 2325744718 QKCQGRWZBIBZPA-UHFFFAOYSA-N 436.504 5.238 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OC(=O)Cc1ccc(F)c(C)c1 2325750244 WDGITMSTKINTRB-UHFFFAOYSA-N 446.518 6.310 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)c3ccc(-n4cccc4)cc3)c2)c(C)c1 2325764802 ZTODFFLWEGRZTN-UHFFFAOYSA-N 435.523 6.518 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(CCCOc3cccc(C)c3)nnc2SC)cc1 2326959478 IKMZZQPKXRWSAY-UHFFFAOYSA-N 437.613 5.048 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1cc(C)ccc1O 2328056436 LYWMNJBXYAMPOA-UHFFFAOYSA-N 426.973 5.281 30 10 IKEE Cc1ccc(OCc2nnc(SCc3cc(C)ccc3C)n2N=Cc2ccco2)c(C)c1 2328898927 BTIOCWUIBCZQCK-UHFFFAOYSA-N 446.576 5.858 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2N=Cc2cccnc2)cc1 2329381440 YEHLKKZKEPQXTM-UHFFFAOYSA-N 427.577 5.364 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(OC)cc1OC 2329566710 JYLPNYKQLFLZCH-UHFFFAOYSA-N 428.945 5.166 30 10 IKEE CCCSc1nnc(-c2ccccc2Cl)n1N=Cc1cc(Cl)c(O)c(OC)c1 2329596594 UVOVIUVEJOPFNR-UHFFFAOYSA-N 437.352 5.350 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(F)cc3)n2N=Cc2ccc(O)cc2)cc1 2329799688 MTEQBMGHGWOQTF-UHFFFAOYSA-N 432.524 5.197 30 10 IKEE CCCOC(=O)CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1cccc(Cl)c1 2330149888 KIZPLZLXIPJDSB-MRXNPFEDSA-N 442.972 5.011 30 10 IKEE C=C(C)CSc1nnc(Cc2cccs2)n1N=Cc1ccc(OCCCCC)cc1 2330377387 JGUPTCXOIWLJRR-UHFFFAOYSA-N 440.638 6.050 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2F)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 2331025528 HTSIGUYGVJMBSG-UHFFFAOYSA-N 425.799 5.503 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC(=O)c1ccco1 2331031644 IVTWPHZUKMBRPF-UHFFFAOYSA-N 441.823 5.355 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SCc3ccccc3)nnc2C(F)(F)F)cc1 2331138230 SAUDOKJIGUSTKO-UHFFFAOYSA-N 448.514 6.040 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C2(c3ccc4c(c3)OCO4)CC2)c(Cl)c1)c1ccccc1 2331167733 OUEOHNFTPKRSGQ-UHFFFAOYSA-N 446.886 5.602 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3ccccc3C)cc2)c(C)c1 2331216024 QUTSLXKQZMQXNE-UHFFFAOYSA-N 428.528 6.273 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)Cc1ccc(Cl)cc1 2331230076 LCPWFMLQVQEDGO-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2cc(C)ccc2C)cc1OC 2331313323 DLRRVAOEBTZCJG-UHFFFAOYSA-N 428.956 6.737 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc4nc(C)c(C)nc4c3)cc2)c1 2331315895 DSONMHGYYVDBRL-UHFFFAOYSA-N 436.511 5.979 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)c1ccc(F)cc1 2331402907 GBFSMHRATNENPI-UHFFFAOYSA-N 448.446 5.111 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1OCC 2331417621 DNZTUILEYNDWLW-UHFFFAOYSA-N 428.956 6.638 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3cccc4ccccc34)cc2Cl)cc1 2331472312 JAYDVFHXMSRSLS-UHFFFAOYSA-N 440.926 6.846 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OC(=O)c1ccc(C)cc1 2331479073 SHBPYUZDDTVNAT-UHFFFAOYSA-N 436.507 6.662 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2sccc2C)c1 2331498009 YERBNPJWVPLSAP-UHFFFAOYSA-N 439.610 5.145 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1ccc2c(c1)OCO2 2331509856 ISDVCQZHPRVVGX-UHFFFAOYSA-N 444.483 5.663 30 10 IKEE O=[N+]([O-])c1ccccc1C=Nn1c(SCc2cccc3ccccc23)nnc1C1CCC1 2331534522 VGHGUGJWTWICDA-UHFFFAOYSA-N 443.532 5.782 30 10 IKEE CSCCCC(=O)Oc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1[N+](=O)[O-] 2331649420 LSFZFQUNXYUMAA-UHFFFAOYSA-N 441.549 5.773 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(C(C)(C)C)cc2)cc1 2331659467 IJSWOKNMHNVQJL-UHFFFAOYSA-N 442.555 6.725 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccccc2)c([N+](=O)[O-])c1 2331665431 ZEOVNDPZNOJTRR-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)c1cncc(C)c1 2331673455 MCZJFLOKYUXXOY-UHFFFAOYSA-N 431.488 5.139 30 10 IKEE Cc1ccccc1NC(=O)CSc1nnc(C(C)C)n1N=Cc1c(F)cccc1Cl 2331687527 YQBKICHXVGISJW-UHFFFAOYSA-N 445.951 5.115 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)[C@H](C)c1ccccc1 2331709556 JYRJTORZVUUZQH-OAQYLSRUSA-N 428.528 6.307 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)c1cccnc1 2331761670 ORZYUWYNZPEPAC-UHFFFAOYSA-N 435.907 5.784 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)c1cccc(F)c1 2331864133 JYBQJNPCUDTCPU-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c4ccccc34)cc2)cc1 2331864240 FYFXELCHSUPTHQ-UHFFFAOYSA-N 438.479 5.972 30 10 IKEE CCCCOc1ccccc1C=NNc1oc(-c2ccc(Br)o2)nc1C#N 2331936477 ISNQIGSRXPMRJY-UHFFFAOYSA-N 429.274 5.194 30 10 IKEE N#Cc1nnn(Cc2cccc3ccccc23)c1NC(=O)C=Cc1ccc(Cl)cc1Cl 2332148081 IEHORLUQPGLRCI-UHFFFAOYSA-N 448.313 5.310 30 10 IKEE N#Cc1ccc(Br)cc1NCc1ccc(Cl)cc1I 2340975444 HLSAWQIYNCGQKA-UHFFFAOYSA-N 447.501 5.191 30 10 IKEE Cc1cc(CNc2cccc(Br)c2Cl)ccc1B1OC(C)(C)C(C)(C)O1 2369689881 XKNKIYMRDDPANU-UHFFFAOYSA-N 436.586 5.322 30 10 IKEE N#Cc1cccc(CSc2nc3sc4c(c3c(=O)n2Cc2ccco2)CCCC4)c1 10682233 GOIDYEWTAJYWPE-UHFFFAOYSA-N 433.558 5.142 30 10 IKEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2 14477606 HTUGUMJAIGFAJZ-WHSLLNHNSA-N 435.376 5.284 30 10 IKEE O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@@H](c1ccccc1Cl)Sc1ccccc1N2 17099859 OEZKHJKSWUULBM-PUAOIOHZSA-N 435.951 7.139 30 10 IKEE CCc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc3ccccc3c2)cc1 21225402 CQHWTNFZTRDXJC-VVFBEHOQSA-N 444.578 7.382 30 10 IKEE CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2F)cc1 21226755 GMKROOPHKSQSFC-GDJIYFAZSA-N 440.562 7.103 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(OC)c2)cc1 21227370 IISRXMXKAWZAPB-NGOKVRLYSA-N 440.543 6.073 30 10 IKEE COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(Cl)ccc2O)c1 21230894 NKZHQCAMXFZPHM-QMTYFTJSSA-N 446.934 6.034 30 10 IKEE CCCn1cc(CN/C(=N/C(=O)c2cc(C)cc(C)c2)Nc2cc(C)cc(C)c2)c(C)n1 32973013 JTBSHGQHSYSOFT-UHFFFAOYSA-N 431.584 5.233 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C/c2ccc(-c4ccccc4)cc2)C3=O)cc1 35087118 BSJJAXVCXIECQQ-WPWMEQJKSA-N 432.475 6.497 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OC/C=C/c4ccccc4)cc(C)c3C2=O)c1OC 41436366 WSYSCNCGJAFUAP-TYDGOQDOSA-N 428.484 5.721 30 10 IKEE CCCOC(=O)c1ccc(Oc2c(C(F)(F)F)oc3cc(OCC#N)ccc3c2=O)cc1 41498279 CFNXRZBOUFMRHM-UHFFFAOYSA-N 447.365 5.073 30 10 IKEE C=CCn1c(SCc2nc3ccc(C)cc3[nH]2)nnc1-c1ccc(Br)cc1 59265888 GFGWZOZERKFCTM-UHFFFAOYSA-N 440.370 5.371 30 10 IKEE CCCCCCCC(=O)NC(=S)Nc1ccccc1C(=O)N(CC)c1ccccc1 100284338 IFKQYSUSVQZFKO-UHFFFAOYSA-N 425.598 5.527 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1ccc(C)c(NC(C)=O)c1 100444414 NNJCCNSJTDNVCU-UHFFFAOYSA-N 433.662 6.468 30 10 IKEE CCCCCCCCCOc1ccc(C(NC(=O)OCC)NC(=O)OCC)cc1OC 101118306 GDDFVZHXHSOWID-UHFFFAOYSA-N 438.565 5.315 30 10 IKEE Cc1ccc2c(c1)c1c3n2CCN(C/C(=N\O)c2ccc(Br)cc2)[C@@H]3CCC1 103744425 DVMIVQQSTIZTJJ-IQQNDYETSA-N 438.369 5.284 30 10 IKEE CCCCCCCCCCCC(=O)Nc1ccc(I)cc1C(=O)O 104664605 PMDNCEUQMDQYBY-UHFFFAOYSA-N 445.341 5.849 30 10 IKEE CC1(C)CS/C(=N/Cc2ccccc2)N1C(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 105085904 DKSGKFAHSLYVHS-MCMXVZMFSA-N 429.929 5.172 30 10 IKEE C=CCn1c(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c(C)c2cc(C(C)C)ccc21 169860637 SRSQXYDLIXDNDC-SANMLTNESA-N 429.608 5.826 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccc(OC)cc2)cc1 169924140 IQOGJQJNDGZMBH-RUZDIDTESA-N 441.527 5.657 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(C)c(C)c2)cc1 169924219 HIDYFQOOINXOFA-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3ccc(OC)cc3)cs2)cc(Cl)c1OC(C)C 169940472 MNZGTNXAQPPBOC-MSXFZWOLSA-N 445.972 6.104 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2ccc(O)cc2)c1 169960497 ARGBSUCUJBWWFN-DEOSSOPVSA-N 427.500 5.409 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 170054483 WLCDVWNLKJKXHK-JOCHJYFZSA-N 433.891 5.127 30 10 IKEE Cc1ccc(Cl)cc1NC1=C(c2ccc(F)cc2)C(=O)N(c2ccc(C#N)cc2)C1=O 170112157 UQJXMBVPGGIHKA-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(OC)c2)c1 170121344 DSHJITVXYFZTCS-HSZRJFAPSA-N 435.520 5.005 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2ccccc2C)c1 170142957 URBYARBYFDAYOW-XMMPIXPASA-N 425.484 5.021 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)cc2OC)[C@H]1c1cccc(C)c1 170146705 XVTLNUYRZWXIQS-OAQYLSRUSA-N 443.927 5.044 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@H]2c2cccc(C)c2)cc1 170146818 IOIBNEKZHWFBMF-DEOSSOPVSA-N 435.564 5.942 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@@H]1c1cccc(OC(C)C)c1 170153459 PGXZOLUSATXIKA-NRFANRHFSA-N 443.927 5.124 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(OCC)cc1 170214360 OPCWSIBTLBJYIS-VWLOTQADSA-N 443.543 6.007 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(OCC)c1 170218058 UBZGHCKUMZTKNS-IBGZPJMESA-N 434.319 5.380 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccccc2)cc1C 170225596 BBYBQWBFIBWCHL-XMMPIXPASA-N 427.500 5.403 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@H]1c1ccccc1 170228050 HRCGRLFCXJULPK-DEOSSOPVSA-N 441.527 5.712 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@@H]1c1ccc(F)cc1 170243749 NGIJVQZMLSBCSH-NRFANRHFSA-N 425.500 5.220 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1ccc(C(C)C)cc1 170245645 KGVNIZIEMYVVJW-DEOSSOPVSA-N 435.564 5.894 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@H]1c1ccc(C)o1 170301912 VGMNGYRNRBFNAX-QFIPXVFZSA-N 435.451 5.135 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccc(Cl)cc2)o1 170303308 PPEIAPLBOBXTPE-KRWDZBQOSA-N 428.897 5.098 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)c1 170330273 BSGAPTWRMHWQIO-IBGZPJMESA-N 443.883 5.332 30 10 IKEE COc1cccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(OCC(C)C)cc2)c1 170430301 VABDRPCOPUQLOU-QFIPXVFZSA-N 437.536 5.245 30 10 IKEE Cc1cccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2Cc2ccc(C(=O)OC(C)C)cc2)c1 170459113 CVVAIIYEMKXCKE-QFIPXVFZSA-N 449.547 5.071 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)[C@@H](C)Oc2ccccc2C(C)C)nc2ccccc12 170536920 OSYNLGSDWACXDS-GOSISDBHSA-N 439.519 5.130 30 10 IKEE CC(=NNc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc(Br)cc1 252592774 BHAXSCXMDQIWTO-UHFFFAOYSA-N 441.181 6.716 30 10 IKEE Oc1c(Cl)cc(Cl)cc1C=NNc1nc(-c2ccc(Cl)cc2Cl)cs1 252598219 CYIIRMAPQJFOFV-UHFFFAOYSA-N 433.147 6.575 30 10 IKEE O=C1N(c2cccc(C(F)(F)F)c2)C(=Nc2cccc(C(F)(F)F)c2)SC12CC2 254304685 MLCRTQZBRKUHCG-UHFFFAOYSA-N 430.373 6.024 30 10 IKEE CCOC(=O)c1ccc(NC(=O)c2c(N=Cc3cccc(F)c3)sc3c2CCC3)cc1 254825206 SXBOSDDPMOKAMX-UHFFFAOYSA-N 436.508 5.556 30 10 IKEE CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H]3O[C@]32C1 261493363 VEEBKUQFPONGGR-VIIQLXMASA-N 444.700 7.171 30 10 IKEE C[C@]12CC[C@@H](O)CC1=CC[C@H]1[C@H]2CC[C@@]2(C)/C(=N\N=C\c3ccc([N+](=O)[O-])s3)CC[C@H]12 504156847 BKFIBDWKIPCPQA-OQEDMGBWSA-N 441.597 5.755 30 10 IKEE C/C=C/[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@]21C 504821503 RTCKAOKDXNYXEH-MAHATKBCSA-N 431.620 5.959 30 10 IKEE Cc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 526491227 MVFMUBNPAXWLRA-QFIPXVFZSA-N 445.862 5.486 30 10 IKEE CC(C)COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccc(F)c2)cc1 526518299 WSPVSRTYNSYHIS-VWLOTQADSA-N 442.490 5.789 30 10 IKEE N#Cc1ccccc1NC1=C(Sc2ccccc2)C(=O)N(c2ccc3ccccc3c2)C1=O 526657314 DTVBTGVLAZGFDE-UHFFFAOYSA-N 447.519 5.701 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1cccc(OC(C)C)c1 526818861 DSSPHZYWSCLDFV-QQXSKIMKSA-N 436.625 6.199 30 10 IKEE CCCOc1cccc(/C=N\n2c(C)nnc2SCc2ccc(Br)cc2)c1 526820159 WUFUVPREWDGMAJ-XKZIYDEJSA-N 445.386 5.312 30 10 IKEE Clc1ccc(Cl)c(/C=N\n2cnnc2SCc2cccc3ccccc23)c1Cl 526820249 MVEZFEGHRSZZOB-MRUKODCESA-N 447.778 6.566 30 10 IKEE N#Cc1cccc(CN(c2cccc3cccnc23)S(=O)(=O)c2ccc(Cl)cc2)c1 586260139 AVESHMLHQSEKEM-UHFFFAOYSA-N 433.920 5.155 30 10 IKEE CC(C)c1nc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)cs1 696465069 VHXBZHGCILAZLQ-INIZCTEOSA-N 436.375 6.035 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C#N)c1c(Br)cncc1Br 698407389 NSQUSTUBVDYJEF-GXFFZTMASA-N 447.171 5.207 30 10 IKEE CCOc1ccccc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 698483422 VYPYSDQMAFZZCH-SFHVURJKSA-N 431.330 5.854 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 698886797 VWYZJHBXIXXLOO-WZONZLPQSA-N 433.524 5.249 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@H](C#N)c1cccc(Br)c1Cl 706501283 VMDGDEQWDHHGFQ-MRXNPFEDSA-N 439.712 6.248 30 10 IKEE CCCc1c(-c2ccc(I)c(Br)c2)sc(C#N)c1N 721632404 DFIHEEQKKPTBNH-UHFFFAOYSA-N 447.139 5.189 30 10 IKEE C#CCNC(=S)/C(=C(/O)c1cccc(Br)c1)[n+]1ccc(C(CC)CC)cc1 759057368 BWWAXFNSYBWNPT-UHFFFAOYSA-O 444.418 5.074 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=Nc1ccc(C)cc1 1772724603 BCRQYGMINNJOLS-IBORXNHRSA-N 445.500 5.953 30 10 IKEE Cc1ccc(-c2nn(-c3cccc(F)c3)cc2/C=N\NC(=S)Nc2ccc(F)cc2)cc1 1857808932 MUQGZNNIVMZYKY-VYYCAZPPSA-N 447.514 5.446 30 10 IKEE Cc1ccc(NC(=S)N/N=C\c2cn(-c3ccccc3F)nc2-c2ccccc2)cc1C 1857810944 JBWGKCORMCMPEG-DICXZTSXSA-N 443.551 5.616 30 10 IKEE Cc1ccc(-c2nn(-c3ccccc3Cl)cc2/C=N\NC(=S)Nc2ccccc2)cc1 1857811362 REDZCQNYOXAAEQ-YSMPRRRNSA-N 445.979 5.822 30 10 IKEE CCCCOc1ccc(NC(=O)Oc2ccc(CNC(=O)c3cccc(C#N)c3)cc2)cc1 1858913132 RRFYJONECXCLBE-UHFFFAOYSA-N 443.503 5.278 30 10 IKEE N#Cc1c(NC(=O)CCCOc2ccc(Cl)cc2Br)oc2c1CCCC2 1859483279 ZCWDMSGXILAQJH-UHFFFAOYSA-N 437.721 5.244 30 10 IKEE N#Cc1cnn(-c2ccccc2)c1NC(=O)c1c2c(nc3ccc(Cl)cc13)CCCC2 1859651718 YPJCWWFTHYMNPM-UHFFFAOYSA-N 427.895 5.077 30 10 IKEE CCCCCCCOc1cccc(NC(=O)c2ccc(I)cc2)c1 1860122869 NAXCPMMBUBZIDD-UHFFFAOYSA-N 437.321 5.893 30 10 IKEE CCCCCCCCCCNC(=O)CNC(=O)CCCOc1cc(C)c(Cl)c(C)c1 1861696151 QOCRYACIOHURDX-UHFFFAOYSA-N 439.040 5.489 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)Cc1ccccc1F 1861747027 KELGFUMZNJKTRR-RUZDIDTESA-N 440.603 5.353 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc(C(=O)OC)cc2)cc1 1862397407 LPIBUVVNHYFLMF-QHCPKHFHSA-N 449.547 5.050 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@H]2c2ccc(F)cc2)cc1 1862473984 IVOBHSREKPSNPH-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(F)cc2)cc1 1862474931 YXQYGCRPKYBKLF-XMMPIXPASA-N 429.491 5.264 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccc3ccccc23)cc1 1862480980 UBWPXLVJGIXUMQ-DEOSSOPVSA-N 439.536 5.988 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(O)cc1 1862506932 CCBYAHUSHMUXOF-HSZRJFAPSA-N 439.527 5.779 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCCc3ccccc3)[C@@H]2c2ccccc2)ccc1F 1862507502 MVDJTGRYZUSWAX-RUZDIDTESA-N 443.518 5.735 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2ccccc2C)ccc1F 1862507755 SSPRHODAFWQZDK-QFIPXVFZSA-N 435.520 5.325 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(N(C)C)cc1 1862535400 YVTGKVOEPPOXBO-XMMPIXPASA-N 434.580 5.474 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CC(C)C)c1 1862623747 WOLNWXZTTDMKIW-DEOSSOPVSA-N 449.591 6.007 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1cccc2ccccc12 1862644091 CCNRXRCNKBMAMM-WNSKOXEYSA-N 433.479 5.364 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1cccc(OCCC)c1 1862644261 HBTWXBOFQZHQRT-QFIPXVFZSA-N 441.499 5.002 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2[C@@H](C)CC)c1 1862669363 UMXMUVNRRIZKIW-UUOWRZLLSA-N 435.564 5.976 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(Cl)cc1Cl)c1ccc(F)cc1 1862682999 MYGDAFIBFIOGND-LJQANCHMSA-N 446.261 5.504 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc(Cl)c1 1862689140 JCLGWMGQCGOJJF-NRFANRHFSA-N 427.928 5.507 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(C(C)C)cc2)c1 1862701459 FOBOUDGHLURZFA-VWLOTQADSA-N 447.575 6.120 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(CCC3=CCCCC3)C2=O)cc1C 1863260412 ONXXBXYXATZRGQ-UHFFFAOYSA-N 425.532 5.258 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc3nc[nH]c3c2)=C(c2ccc(C)cc2)C1=O 1863270603 RCJITYJNSBPKIM-UHFFFAOYSA-N 430.552 5.424 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccc(F)cc2)=C(c2ccccc2OC)C1=O 1863764927 BPUFWWOBVSCTNL-UHFFFAOYSA-N 438.543 5.065 30 10 IKEE CC(C)c1cccc(C(=O)Nc2c(Br)cc(C#N)cc2Br)c1O 1866174704 UIVKLXAMKAPNIZ-UHFFFAOYSA-N 438.119 5.165 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3ccccc3[C@H]2c2cccc(Cl)c2)nc(CC)n1 1869127520 YAAMSANXJWOECW-HHHXNRCGSA-N 445.010 6.023 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N2C[C@H](C)O[C@H](C)C2)nn1-c1ccccc1Cl 1869945979 ZKQXSVCPDBYZTK-HDICACEKSA-N 448.011 5.223 30 10 IKEE N#Cc1nnn(-c2ccc(Cc3ccccc3)cc2)c1NC(=O)/C=C\c1ccc(Cl)cc1 1870140769 IYUPDBNBRVUPNA-GDNBJRDFSA-N 439.906 5.035 30 10 IKEE CCCCCCCCCCn1cc(OCc2ccccc2C)c(=O)cc1CN1CC(O)C1 1870628896 AWCHYVGVHJPPSM-UHFFFAOYSA-N 440.628 5.053 30 10 IKEE CCCCCCCOc1cn(CCCOC(C)C)c(CNc2cccc(C)c2C)cc1=O 1870837650 QXIMRPVGVQCQOI-UHFFFAOYSA-N 442.644 6.242 30 10 IKEE Cc1cc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CC(C)C)ccc1Cl 1871251732 TXYRHBIJKDCOIP-UHFFFAOYSA-N 435.955 5.529 30 10 IKEE Cc1c(OC(=O)CCCOc2ccccc2)ccc2c1O/C(=C\c1ccc(F)cc1)C2=O 1871371265 NLPPJQBJKSMLEL-KQWNVCNZSA-N 432.447 5.515 30 10 IKEE COc1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871376968 NNHPHVGEBVUZJK-ZLWWARENSA-N 426.468 5.547 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1 1871386650 GFLWEFHWWZHDMJ-MYYYXRDXSA-N 428.484 6.044 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(C)c(-c4ccc(Cl)cc4)c(=O)oc3c2)cc1 1871389577 CXJRNYQIHALJQM-UHFFFAOYSA-N 446.886 6.206 30 10 IKEE CC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\C=C\c2ccccc2)C3=O)c1 1871390333 QNEWNDARCDWXPB-IGBUCQDTSA-N 440.451 5.312 30 10 IKEE Cc1ccccc1OCCCCOc1ccc2c(c1C)O/C(=C\c1ccccc1F)C2=O 1871405529 UJAVDVXVVCVTLY-UQQQWYQISA-N 432.491 6.297 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2sccc2C)C3=O)c(C)c1 1871413474 HNRLJSUYGVVAKI-QLTNSANVSA-N 447.556 6.004 30 10 IKEE CCCC[C@@H](Oc1ccc2c(c1C)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O)C(=O)O 1871423075 MDSSKFPZNCPTLA-NPBUNYCVSA-N 435.303 5.940 30 10 IKEE CC(C)CCOC(=O)CCOc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O 1871429027 FKBIMKABGZFCAG-BKUYFWCQSA-N 449.330 5.968 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccccc1C(C)C)[C@H](C)CC)S(=O)(=O)c1cccs1 1872461811 NJTDGDGQKUDGJC-GCJKJVERSA-N 448.654 5.492 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(Cl)c(C)c3)n2)cc1OC 1872761624 RMGVXTJMBINCGL-MRXNPFEDSA-N 442.924 5.044 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccc(C)cc3)n2)cc1 1872765192 JPJTVAOFVMEZBV-QHCPKHFHSA-N 432.589 6.497 30 10 IKEE Cc1cc(C)c(-c2csc([C@H](C#N)C(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)c(C)c1 1872785639 RVGMLMDLFCUTOQ-MRXNPFEDSA-N 425.897 5.787 30 10 IKEE N#C[C@H](C(=O)Cc1c[nH]c2ccccc12)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872787165 CPRNKWBGLOFVHA-MRXNPFEDSA-N 426.328 6.017 30 10 IKEE OCCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1cccc2ccccc12 1874271516 ADROUUCXZDCIAK-OVVQPSECSA-N 438.556 5.142 30 10 IKEE Cc1cccc(/C=N/n2c(COc3cccc(C)c3C)nnc2SCc2ccccc2)c1 1874323399 NLIDLEFTXRJAGU-JVWAILMASA-N 442.588 5.957 30 10 IKEE Clc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2ccccn2)cc1 1874343040 VUNDFPHMZVHSOQ-YZSQISJMSA-N 433.968 5.134 30 10 IKEE Cc1ccccc1/C=N/n1c(SCCc2ccccc2)nnc1[C@H](C)c1ccccc1 1874395456 NBFVPYSVFZVCMC-LVBKAMOWSA-N 426.589 5.955 30 10 IKEE COc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCCc2ccccc2)cc1 1874403600 ILDGISHVSUINSC-NHFJDJAPSA-N 442.588 5.289 30 10 IKEE Fc1ccc(CSc2nnc(Cc3cccs3)n2/N=C/c2cccc(Cl)c2)cc1 1874410086 BPLZFTNIJMVZKR-ZMOGYAJESA-N 442.972 5.897 30 10 IKEE C=C(C)CSc1nnc(Cc2cccs2)n1/N=C/c1ccc(N(CC)CC)cc1 1874412414 NLKINIPNKNRDSW-HZHRSRAPSA-N 425.627 5.327 30 10 IKEE CCCOC(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1cccc2ccccc12 1874429783 BGAZHPRNMPZBCF-PCLIKHOPSA-N 430.533 5.026 30 10 IKEE Clc1cccc(/C=N/n2c(SCc3ccccc3Cl)nnc2[C@H]2CCCO2)c1 1874446029 QUTYSHRENJHJJD-BYWZACNXSA-N 433.364 5.611 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2ccccc2F)cc1 1874455566 YYVMISYKGQHBTQ-YDZHTSKRSA-N 425.489 5.158 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2cc(C)ccc2C)nnc1C1CCCC1 1874455779 KQPFPUCTTMESHV-WPWMEQJKSA-N 446.620 6.292 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2-c2ccco2)cc1OC 1874467065 PWPLWCQZYPOKNE-AFUMVMLFSA-N 448.548 5.347 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1/N=C/c1cc(Br)ccc1F 1874476760 WSVHHPFGEAMBLQ-YDZHTSKRSA-N 447.377 5.697 30 10 IKEE COc1cccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CCC2)c1 1874496633 WSYLOGSZCDBGMC-WGOQTCKBSA-N 428.561 5.882 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874527448 PJMQDCAGXCSPSM-LSHDLFTRSA-N 425.772 5.975 30 10 IKEE CCCCOc1ccc(/C=N/n2c(C)nnc2SCc2cccc(F)c2)cc1OC 1874530853 DZRVWXRBGOCWLT-ZVHZXABRSA-N 428.533 5.088 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2cccc(C)c2C)cc1 1874579960 QNMHWWAXNKGODZ-SAPNQHFASA-N 443.543 6.006 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2c(OCC(=O)Nc3ccccc3)ccc3ccccc23)c1 1874580453 OQIYYIBQOQCEAQ-FOCLMDBBSA-N 435.523 6.370 30 10 IKEE CCN(CC)C(=O)COc1c(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)cc1OC 1874580503 QVIFNJLTNYBHHS-ZHACJKMWSA-N 429.944 5.109 30 10 IKEE CCN(CC)C(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1cc(OC)ccc1OC 1874581114 XQIPMTNRDYCDMA-BUHFOSPRSA-N 447.531 5.000 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCc2ccc(Cl)cc2)c2ccccc12 1874592444 ZJZPBOLBTARMPO-FOWTUZBSSA-N 428.915 6.977 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OCC(=O)NCc3ccccc3)c2)cc1 1874593623 SUNWWMBNWJUBIR-OBGWFSINSA-N 427.544 5.621 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccccc3F)c2)cc1 1874596018 KGNQUBZJIRPPIA-XNTDXEJSSA-N 433.479 5.528 30 10 IKEE C=C(C)COc1c(OC)ccc(/C=C/C(=O)c2ccc(OC)c(F)c2)c1Br 1874597323 GEKBEECANAAQTM-VMPITWQZSA-N 435.289 5.456 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1Cl)NC1CCCCC1 1874613255 KWPPGBXPBOCHGJ-WUXMJOGZSA-N 432.347 5.717 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)c1OCc1cccc(Cl)c1 1874617023 GQBOWQJFMBRTDF-MDZDMXLPSA-N 441.354 7.094 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1)Nc1ccccc1F 1874623411 BKTOGHJANGPAEV-SAPNQHFASA-N 425.459 5.893 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(OC)c1OCc1ccc(Cl)cc1 1874625940 DVQZFVUUDWNKPN-BJMVGYQFSA-N 444.861 6.111 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccc(Oc2ccccc2)cc1 1874627194 LETYTIPATUEREZ-XDHOZWIPSA-N 440.926 7.607 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc3ccccc23)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 1874627763 VCZYZQLWOHWMQB-XYOKQWHBSA-N 445.421 6.501 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OCc1cc(C)ccc1C 1874631408 AKWCYNPZPJGRRI-PKNBQFBNSA-N 434.963 7.057 30 10 IKEE C=C(C)COc1c(Cl)cc(/C=C/C(=O)c2ccc(OCC)cc2OCC)cc1OC 1874631973 DMVVCPHVXWGISR-DHZHZOJOSA-N 430.928 5.997 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(C)(C)C 1874662865 AFHSNAAMBCAVTJ-DEOSSOPVSA-N 441.660 5.888 30 10 IKEE CCCOc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c(C)c3)c2)cc1 1874696193 MQTUZCISMMDJJT-GXDHUFHOSA-N 444.527 5.837 30 10 IKEE CCCC(=O)Oc1cc(/C=C/C(=O)c2cc(C)ccc2OC)c(Br)cc1OC 1874704293 HBFNUGKYVGLSAM-CMDGGOBGSA-N 447.325 5.376 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)CCc3ccccc3)c2)cc1F 1874707133 QAUKZQQFMDIUQY-XYOKQWHBSA-N 434.463 5.277 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)CCc3ccccc3)c2)c(OC)c1 1874714392 TYEOZXSOESOSTE-NTEUORMPSA-N 446.499 5.147 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](C)CSc2nnc(CCCOc3cccc(C)c3)n21 1875068003 AGVVSJXEXPNPJH-FQEVSTJZSA-N 444.645 5.308 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)C(F)(F)F 1875082831 OVLNKLRUKHDYIT-NTUHNPAUSA-N 426.390 5.726 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1OC 1875098744 JZFMAMOLBOKKID-KPKJPENVSA-N 447.443 5.036 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(OC)c1OC(=O)c1ccccc1C 1875111336 FDJMKZIIPWYMBO-OUKQBFOZSA-N 436.891 5.781 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)cc3)cc2)cc1 1875112368 DYFKOHABLAYPTB-CAOOACKPSA-N 430.500 5.528 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)c1ccc(F)cc1F 1875134460 ZZUGFXKXLSUJCA-IZZDOVSWSA-N 436.454 6.096 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(N(C)C)cc3)cc2)cc1Cl 1875187429 RTYXZNVXSWCMRO-MKMNVTDBSA-N 435.907 5.530 30 10 IKEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)Nc3cccc(-c4csc(C)n4)c3)n[nH]2)c1C 1891002242 IUDKRHFOXIZQDX-UHFFFAOYSA-N 432.553 5.150 30 10 IKEE CC(C)(C)c1cc(CCC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc(C(C)(C)C)c1 1892207978 CLQZPZTTZQINTF-UHFFFAOYSA-N 446.635 6.156 30 10 IKEE C=C([C@@H](NCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C)[Si](C)(C)C 1923026578 JBTRYPWUOWAHBW-QGZVFWFLSA-N 427.459 5.880 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@](C)(C#N)CNC(=O)OC(C)(C)C(C)(C)C 1944408956 UNTPOLGYFRPYJB-DEOSSOPVSA-N 431.577 5.257 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1945527671 TXPALLHSCNXHGL-AYOQOUSVSA-N 449.979 5.619 30 10 IKEE C=CCCCCC[C@@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 1947476084 JIJKDDYOKTWOTF-ZEQRLZLVSA-N 432.649 5.991 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C(C)(C)[C@@H]1CCCN1C(=O)OC(C)(C)C 1950039422 AUNMOLZTNZDQKU-GOTSBHOMSA-N 430.633 5.553 30 10 IKEE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCC#N)C(C)(C)C 1984691416 ZDNAIJMVTVRVMV-XMMPIXPASA-N 447.579 5.090 30 10 IKEE C[C@@H]1CC[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)[C@@H](OCc2ccccc2)C1 1998823444 ROSIPDWYDZTWOQ-RZTXVSJASA-N 440.609 6.153 30 10 IKEE C[Si](C)(C)C#CCC(=O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2016739766 BANNEMMQUWKLRH-UHFFFAOYSA-N 428.604 6.298 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2016841581 JTEYLBQCWPAJOO-YIGJPRQDSA-N 433.593 5.238 30 10 IKEE CC(C)C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 2032484297 QARYKJUHZMGJEI-DFBJGRDBSA-N 449.636 5.732 30 10 IKEE CCC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2032542387 VHFFTMSVKQDLRN-DFBJGRDBSA-N 443.588 5.748 30 10 IKEE O=C1NC(=Nc2ccc(F)cc2)SC1=Cc1ccc(Sc2ccc(Cl)cc2)o1 2040470202 KYZPDXKYUDWQMG-UHFFFAOYSA-N 430.913 6.115 30 10 IKEE Cc1ccc(Cn2nc(C)c(C=CC(=O)Nc3cccc(C#Cc4ccccn4)c3)c2C)cc1 2040500480 GVYNRAFBMAYTBR-UHFFFAOYSA-N 446.554 5.303 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 2041559905 NICBVTRQZLLNKQ-BXKMTCNYSA-N 447.551 5.497 30 10 IKEE N#C[C@@]1([C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCCSC1 2073862650 HSFJWVZLPLRIOR-SXOMAYOGSA-N 445.584 5.915 30 10 IKEE Cc1ccc([C@H](n2nc(C(F)F)c(/C=N/O)c2I)C(C)(C)C)cc1 2079060781 MWQGDSWYPXNZJK-SLSPDHCBSA-N 447.267 5.177 30 10 IKEE CC1([C@@H](c2ccc(C(F)(F)F)cc2F)n2nc(C(F)(F)F)c(C#N)c2Cl)CC1 2079958768 RGHVIABJJORVCK-CYBMUJFWSA-N 425.735 5.974 30 10 IKEE CC(C)(C)OC(=O)N1CCCCC[C@H]1CNc1cc(Br)cc(F)c1C#N 2107437732 BUNONBYCIDIUMF-AWEZNQCLSA-N 426.330 5.051 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)C1(C#N)[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2 2111462377 DCBXRTPXLQHIRH-VXKWHMMOSA-N 449.570 5.762 30 10 IKEE CCCCCCCCCCNc1ncc(I)cc1Br 2133371166 HEFLJFYBBONEKE-UHFFFAOYSA-N 439.179 6.001 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCCCCCC1(F)F 2152783154 ZRYRYRCRJFEKFV-LJQANCHMSA-N 443.332 6.442 30 10 IKEE COc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)c(C)n1 2157051019 IDSJRZAFLUOCRI-KRWDZBQOSA-N 432.318 5.168 30 10 IKEE CCC[C@@H]1CCOCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2165342220 DGTOWFJIWMTZMX-IIBYNOLFSA-N 437.378 5.680 30 10 IKEE CC1(C)OB([C@@]23C[C@@H]2CCN(Cc2ccc(Cl)c(Br)c2F)C3)OC1(C)C 2194187553 YWCQCPWAXVNWNP-ORAYPTAESA-N 444.581 5.300 30 10 IKEE N#Cc1ccc(NC[C@]23CCC[C@H]2CCN3Cc2ccccc2)c(F)c1Br 2197385908 YKHMYSPPXMLQNA-PGRDOPGGSA-N 428.349 5.317 30 10 IKEE Cc1sc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)c(Br)c1C 2229235705 HCXLAUGCUFIAKG-OAHLLOKOSA-N 439.350 6.273 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCC)c2cc(Cl)c(Cl)c(Cl)c2)C1 2232518426 CDUQEGXPGQPHEU-QGZVFWFLSA-N 433.807 6.159 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(Nc2ccc(Br)cc2)C[C@H]2CCCC[C@@H]21 2279701348 FHSXEDLDIKOEML-YWMUFLPLSA-N 434.378 5.323 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@@H]1Nc1c(Br)cccc1C#N 2285183724 DBAXLTAUZGNTIP-CRAIPNDOSA-N 434.378 5.206 30 10 IKEE C[C@H]1CCCN(c2c(Br)cccc2C#N)[C@@H]1CCCNC(=O)OC(C)(C)C 2285184163 ITDYJRMMECVRHV-MAUKXSAKSA-N 436.394 5.231 30 10 IKEE O=C1Nc2ccc(Cl)cc2C1=C1SC(=Nc2ccccc2)N(c2ccccc2)C1=O 2296740268 QNTRTJMGXWKNAD-UHFFFAOYSA-N 431.904 5.471 30 10 IKEE O=C1C(=Cc2cc3c(cc2Cl)OCO3)SC(=Nc2ccccc2)N1c1ccccc1 2297296075 AEWZOAQUFIGQLC-UHFFFAOYSA-N 434.904 5.877 30 10 IKEE Cc1cccc2cc(C=CC(=O)c3c(O)nc4ccccc4c3-c3ccccc3)c(O)nc12 2297534496 ARSYGIBJUNUGFR-UHFFFAOYSA-N 432.479 6.066 30 10 IKEE CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 2299161318 JBVGOLHAKKHIDM-QZTJIDSGSA-N 449.979 5.619 30 10 IKEE C=CCC(CC=C)[C@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 2301037774 STUVAMWUMFCPGJ-ZEQRLZLVSA-N 430.633 5.623 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1C[C@@H]2CC[C@H]1CN(C(=O)OC(C)(C)C)C2 2312353080 WECCNIGSQRRFOR-QORCZRPOSA-N 442.644 5.411 30 10 IKEE O=C1NC(=Nc2ccccc2)SC1=Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 2313510389 BNYROLXUEPTYQK-UHFFFAOYSA-N 425.853 5.400 30 10 IKEE CCOc1ccc2oc(C)c(C(=O)Oc3ccc(C(=O)C=Cc4ccccc4)cc3)c2c1 2314429919 RNSZYVNRTCSJAJ-UHFFFAOYSA-N 426.468 6.255 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2Cc2ccco2)c1 2314479049 ZDVASQCFUJZRGS-RUZDIDTESA-N 443.499 5.247 30 10 IKEE CCN1C(=O)C(=Cc2cccc(OCc3ccc(C)cc3)c2)SC1=Nc1ccccn1 2314541641 PJYIFBYCUHFMJS-UHFFFAOYSA-N 429.545 5.593 30 10 IKEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1cccc(OCC(C)C)c1 2318571127 CROZTGRVPPXHQT-UHFFFAOYSA-N 449.407 6.103 30 10 IKEE C(=Nn1c(SCc2cccc3ccccc23)nnc1C1CC1)c1ccc2c(c1)OCCO2 2320873759 LLZZOPBRQXQZKD-UHFFFAOYSA-N 442.544 5.254 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O3)CN(CCCN(C)C)CO2 2322034955 TVMWVKYEKHJEOY-UHFFFAOYSA-N 447.362 5.022 30 10 IKEE CCCCC[C@H](CC)N1COc2cc(C)c3c(c2C1)OC(=Cc1ccc2c(c1)OCO2)C3=O 2322076078 JZNFCBONVKDTAI-IBGZPJMESA-N 449.547 5.851 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)O3)CN([C@@H](C)c1ccccc1)CO2 2322092594 VXCWOBSWVBTAQC-KRWDZBQOSA-N 442.471 5.433 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(C(C)C)cc1)O3)CN(CCCCN(C)C)CO2 2322122701 XNJXNWHJIIJHSI-UHFFFAOYSA-N 434.580 5.228 30 10 IKEE COc1ccc(C=C2Oc3c(ccc4c3CN(C3CCCCCCC3)CO4)C2=O)cc1OC 2322177597 PADMTORNHJSRIT-UHFFFAOYSA-N 449.547 5.585 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2C)c1 2322373833 BBBXQMNZIXZWEW-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccccc1)C3=O)CN(C13CC4CC(CC(C4)C1)C3)CO2 2322437147 VQCBAXSTMCYSHF-UHFFFAOYSA-N 427.544 5.732 30 10 IKEE Cc1cc(C(=O)C=Cc2cc(Br)ccc2OCCc2ccccc2)ccc1F 2322624285 HRBXDOVWGBXQNQ-UHFFFAOYSA-N 439.324 6.414 30 10 IKEE Cc1ccc(COc2ccc3ccccc3c2C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1 2322842587 GNIRXAPVBRHOFF-UHFFFAOYSA-N 434.579 7.857 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC)c(OCc3ccccc3Cl)c2)cc1 2323076123 SOBKOCCJABIAKB-UHFFFAOYSA-N 434.963 7.166 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2OC)cc1OCC(=O)Nc1ccc(C)cc1C 2323099529 QZTYGNTVCMJGJA-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1cccc(F)c1 2323379487 DCQWPXHVPGYZLJ-UHFFFAOYSA-N 447.462 5.946 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OCCc3ccccc3)c(OC)c2)cc1C 2323561056 QVMWISGKPXLBME-UHFFFAOYSA-N 432.516 5.538 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1C 2323561492 AGSYEAKZTIILIH-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1Cl)C2=O 2323720295 HKFAXQGZWIEWMM-UHFFFAOYSA-N 439.294 6.148 30 10 IKEE COc1ccc(OC)c(C=C2Oc3cc(OC(=O)CCc4ccccc4)cc(C)c3C2=O)c1 2323720719 AGWBBBZVFPIANS-UHFFFAOYSA-N 444.483 5.167 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OCC(=O)Nc1ccc(C)cc1C 2323807855 ICKNRNHLUPSULI-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)c3cccc(OC(=O)C(C)C)c3)ccc2C1=O 2323909159 UDAYQUGWFQPBIS-UHFFFAOYSA-N 442.467 5.392 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OCCc1ccccc1 2324332187 NILLWZMHDMUTBZ-UHFFFAOYSA-N 444.571 6.455 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(Cl)c(OC)cc2OC)cc(OC)c1OCC(=C)C 2324430165 QYIYRJSINUYEIY-UHFFFAOYSA-N 442.939 5.945 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3F)c(Br)c2)cc1C 2324449095 QJQISZOAPKNRIB-UHFFFAOYSA-N 439.324 6.680 30 10 IKEE COc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1ccccc1Cl)C2=O 2324465053 RVDSHGNXHDVOLP-OAHLLOKOSA-N 449.890 5.371 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)ccc1OCc1cccc(F)c1 2324522106 ORAUHUNMZWVZED-UHFFFAOYSA-N 440.898 6.280 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OCc3ccccc3Cl)c([N+](=O)[O-])c2)c(C)c1 2324555178 WSXGCBWMIIHYAK-UHFFFAOYSA-N 435.907 6.649 30 10 IKEE CCCOc1c(OCC)cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1[N+](=O)[O-] 2324582551 IAVPCKPYIQQESV-UHFFFAOYSA-N 425.525 6.284 30 10 IKEE Fc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2cccc(F)c2)cc1 2325444005 QVXOMQGVASDQLZ-UHFFFAOYSA-N 434.515 5.516 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1cc(OC)ccc1OC 2325522916 SUXZFIDXEUHMMS-UHFFFAOYSA-N 438.597 5.429 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(Cl)cc1Cl 2325610729 KFKLUBPTXGKZTC-UHFFFAOYSA-N 443.762 6.114 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC)c(OC(=O)COc3cccc(C)c3C)c2)c1 2325706554 MCPDLZRHBNRWNF-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE O=C(C=Cc1cccc(OC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)c1)c1ccc([N+](=O)[O-])cc1 2325722676 BTSJDZIDFJVEDI-FCHUYYIVSA-N 447.874 5.853 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1OC(=O)c1ccccc1Cl 2325727296 AYRICZDBMQQFCN-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE O=C(COc1ccc(Cl)cc1Cl)Oc1cccc(C=CC(=O)c2ccccc2)c1 2325732790 WBNQPDWOYLGGLI-UHFFFAOYSA-N 427.283 5.874 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OC(=O)c1ccccc1OC 2325750390 DQCLKAHPXXFQIU-UHFFFAOYSA-N 430.500 5.943 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1Cl 2325769347 UJDLGHNMLNVPAN-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE COc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3cc(C)c(OC)cc3C)c2)cc1 2325771474 CZFPWXIDDQKLKX-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE CSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccc(C(C)(C)C)cc1 2326037583 GAYIMPHBVLXRID-UHFFFAOYSA-N 443.016 5.845 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccc(Cl)cc1 2326075137 BTRKLMKCAYPZRJ-UHFFFAOYSA-N 447.391 5.757 30 10 IKEE CCCCOc1cccc(C=Nn2c(CCCC)nnc2SCc2ccc(F)cc2)c1 2326252220 RQRBXYPNHUNDQX-UHFFFAOYSA-N 440.588 6.113 30 10 IKEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 2326264790 NNFKMDQJFNITDG-AREMUKBSSA-N 442.600 5.089 30 10 IKEE CCCCCCCOc1ccccc1C=Nn1cnnc1SCc1ccccc1Cl 2326538102 CIPJWLONJLVSFX-UHFFFAOYSA-N 443.016 6.455 30 10 IKEE COc1ccc(CCc2nnc(SCc3cc(C)ccc3C)n2N=Cc2ccc[nH]2)cc1 2328577656 KIAZABWAXJOPMK-UHFFFAOYSA-N 445.592 5.191 30 10 IKEE C=CCSc1nnc(CCc2cccc(OC)c2)n1N=Cc1ccccc1OC(C)C 2328651528 QZCZQVRSOGRXCK-UHFFFAOYSA-N 436.581 5.019 30 10 IKEE Cc1ccc(CSc2nnc(CCCOc3ccccc3)n2N=Cc2ccccc2)cc1 2328711897 KDDRMBRSSUBIFT-UHFFFAOYSA-N 442.588 5.773 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)cc2C)n1N=Cc1cccc2ccccc12 2328897253 WIBFZTLZCAXOJZ-UHFFFAOYSA-N 442.588 6.178 30 10 IKEE CSc1nnc(CCc2ccccc2C)n1N=Cc1cccc(OCc2ccccc2)c1 2329465389 ONZRZGJDNUXUER-UHFFFAOYSA-N 442.588 5.555 30 10 IKEE CCCSc1nnc(CCc2ccccc2C)n1N=Cc1c(OC)ccc2ccccc12 2329500946 IPZZYCWYYBZNAN-UHFFFAOYSA-N 444.604 5.918 30 10 IKEE Fc1cccc(CSc2nnc(Cc3ccccc3F)n2N=Cc2cccs2)c1 2329725719 HPSVNCKRNWYTNZ-UHFFFAOYSA-N 426.517 5.383 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(Cc2ccccc2)n1N=Cc1cccnc1 2330521858 KTNDMDBTWDPLQL-UHFFFAOYSA-N 437.931 5.231 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C=Cc1ccc(F)cc1 2330522084 CEBVMVSDXVZTHL-XMMPIXPASA-N 442.550 5.182 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)C=Cc1cccc([N+](=O)[O-])c1 2330611014 RJBHHOSWVCLOKR-QHCPKHFHSA-N 445.604 5.540 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(C)c3)c([N+](=O)[O-])c2)cc1OC 2330725166 YUKUOOPEDVGBDC-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccccc1[N+](=O)[O-] 2330874566 WFLDOXPJJYDTFY-UHFFFAOYSA-N 443.960 5.603 30 10 IKEE Cc1ccc(CSc2nnc([C@@H]3CCCO3)n2N=Cc2cccc3ccccc23)cc1 2330888984 IOBDKEOHSQVGFQ-QHCPKHFHSA-N 428.561 5.766 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1Br)c1ccccc1 2330929386 IANKNHKALQLIMR-UHFFFAOYSA-N 441.708 6.218 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OC(=O)c1ccc(F)cc1F 2331101276 LIHOIOFVTLKPQW-UHFFFAOYSA-N 444.380 5.757 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C(F)(F)F)cc1 2331150234 PHAHJVMYMOZWSN-UHFFFAOYSA-N 426.851 5.133 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccco2)n1N=Cc1ccc(Cl)c(Cl)c1 2331175694 CBMNEOWEIPFSKQ-UHFFFAOYSA-N 443.359 6.328 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccc(C)cc3C)c([N+](=O)[O-])c2)cc1 2331273870 ZOIDYIUVLJWOFZ-UHFFFAOYSA-N 445.471 5.401 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2)c(OC)c1 2331313382 IPDGVGZHHQOAMB-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1Cl 2331319560 JMMKYSJPTDKNRN-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(C)c3)cc2[N+](=O)[O-])cc1C 2331339138 JNKUKORNIHOCGS-UHFFFAOYSA-N 447.462 5.703 30 10 IKEE C=CCSc1nnc(CC(C)C)n1N=Cc1ccc(OCCCCC)c(OCC)c1 2331461156 QLITUMRFBRBPAK-UHFFFAOYSA-N 430.618 5.605 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)c1cccc(Cl)c1 2331512339 ZEYOESAOMROABY-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE C=CCSc1nnc(CCC)n1N=Cc1ccc(OCc2ccccc2)c(OCC)c1 2331657496 QBVDUZQXYWTERW-UHFFFAOYSA-N 436.581 5.369 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2[N+](=O)[O-])c1 2331707356 VFWCIMZXEMEJPO-UHFFFAOYSA-N 445.471 5.726 30 10 IKEE CC[C@@H](C)[C@H](COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339580661 FCHGBUTWATYSAF-MJGOQNOKSA-N 446.397 5.044 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Cl)c1sc(Cl)cc1I 2366655707 UNTYJAZQVFFOTE-ZDUSSCGKSA-N 436.145 5.362 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(C)c(C)c(Br)c(C)c1C 2375336935 UMYZSTIUFZKDRK-XLIONFOSSA-N 439.438 5.803 30 10 IKEE C=CCN1C(=O)c2ccccc2Sc2ccc(C(=O)NCCc3ccc(Cl)cc3)cc21 3040708 NXFQISWGNTZBHT-UHFFFAOYSA-N 448.975 5.610 30 10 IKEE O=C1CCCC2=C1[C@@H](c1ccccc1F)n1nc(SCc3cccc(Cl)c3)nc1N2 9856572 PHBJNRDSUUILQZ-HXUWFJFHSA-N 440.931 5.385 30 10 IKEE C=C(C)COc1ccccc1NC(=O)c1ccc(OC[C@@H]2CCCO2)c(Br)c1 9925714 RAQVYMUZKJZBHP-KRWDZBQOSA-N 446.341 5.214 30 10 IKEE C=CCOc1c(Br)cc(CNCCCN(CCCC)CCCC)cc1OC 13733853 IZAQNWWPFIWNRG-UHFFFAOYSA-N 441.454 5.404 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccco2)cc1OC 21225469 AYNJACQHVAXUSO-QLXKLKPCSA-N 430.504 5.666 30 10 IKEE COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccco2)ccc1OC(C)C 21254563 OUGXTMRYONZUPX-CLYVBNDRSA-N 444.531 6.055 30 10 IKEE COc1cc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccc(SC)cc2)ccc1O 33026448 ITOCUDZKPBQEBU-MWTRTKDXSA-N 448.544 5.377 30 10 IKEE CCCCOc1ccc(/C=C2/CN(CC)C/C(=C\c3ccc(OCCCC)cc3)C2=O)cc1 33692496 YLBPZFUDYOLCMF-GAHATOAQSA-N 447.619 6.416 30 10 IKEE C=CCN1N=C(Nc2cccc(Br)c2)SC(C)=C1c1ccc(Cl)cc1 33749743 OOBWCCGKNVUUQO-UHFFFAOYSA-N 434.790 6.409 30 10 IKEE Cc1cc2c(cc1C)C(=O)/C(=C/c1cn(-c3ccccc3)nc1-c1ccc(Cl)cc1)O2 39842700 JJPUKALPNBWFME-OYKKKHCWSA-N 426.903 6.426 30 10 IKEE C=CCc1ccccc1OCCCn1c(CNC(=O)C2CCCCC2)nc2ccccc21 40188482 LFLJVVIUUFYQJQ-UHFFFAOYSA-N 431.580 5.430 30 10 IKEE C=CCc1ccccc1OCCn1c(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 40249972 RMJRAYOSGPCBLH-UHFFFAOYSA-N 444.531 5.537 30 10 IKEE O=C1N/C(=N/c2ccc(F)cc2)S/C1=C\c1cn(Cc2ccccc2F)c2ccccc12 59106006 XEOAAYWTCYOMPT-QRVIBDJDSA-N 445.494 5.859 30 10 IKEE CCCCCCCC[C@@H](CCCCCCCCC(=O)OCC(C)C)OS(=O)(=O)O 100298685 FOULFUULGDLAOP-NRFANRHFSA-N 436.655 6.245 30 10 IKEE CCCCCCCc1c(C)nn(C(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)c1C 100458447 ABHJQEINVLZVNK-UHFFFAOYSA-N 431.580 6.262 30 10 IKEE O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccccc2Cl)/C1=C(/O)c1ccc(Cl)cc1 103104608 RWZHOZJUQOQWQP-GOBJLOIFSA-N 439.298 5.010 30 10 IKEE O=C(C[C@@H]1S/C(=N\c2ccccc2)N(Cc2ccco2)C1=O)Nc1cccc(Cl)c1 105757296 VUACMHXARXTOTL-NWIBBQCFSA-N 439.924 5.094 30 10 IKEE CCCCO[C@@H]1Oc2ccc(Cl)cc2C(=O)/C1=C\Nc1nc2c(Cl)cccc2s1 109847412 SKSDCHASVYFOLE-RDPWEWGOSA-N 449.359 6.317 30 10 IKEE COc1cc(/C=N/Nc2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)cc1Cl 169876644 HSMYTSKYCFTXSV-LGJNPRDNSA-N 429.347 6.644 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2ccc(C)cc2)cc1 169925392 LGUAWGNKMFLYTR-AREMUKBSSA-N 449.506 5.940 30 10 IKEE CCCN1C(=S)N[C@H](c2cccc(OCc3ccc(Cl)cc3)c2)C(C(C)=O)=C1C 169930121 MJNLVATVKDFDPE-JOCHJYFZSA-N 428.985 5.423 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@H](c2ccccc2OCc2ccc(Cl)cc2)NC(=S)N1 169938448 LKTQKELXPZCBGX-QHCPKHFHSA-N 448.975 5.595 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2cccs2)c(C)c1 169988104 BPLZACCEOAJNCF-HXUWFJFHSA-N 441.455 5.126 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@H]2c2ccccn2)ccc1F 169992277 VHGISVLSCHFZKN-QHCPKHFHSA-N 444.506 5.610 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(Cl)cc1)c1c[nH]c2ccccc12 170056598 FLXJNBHFGYXMLE-NRFANRHFSA-N 448.931 5.661 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2ccccc2C)c1 170086637 GZYFOJUCXHRNCJ-VWLOTQADSA-N 441.527 5.793 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc(OC)c1OC 170127058 WDIXODVKUAYLIT-HSZRJFAPSA-N 445.515 5.235 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccc(C)c2)c1 170140835 XRMWQBKYPJBDPO-VWLOTQADSA-N 441.527 5.875 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@@H]1c1cccc(C)c1 170146955 GMLGDYHZEVGQMG-FQEVSTJZSA-N 427.928 5.344 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccc2ccccc12 170220801 MDLPBWNXPKPBTD-JOCHJYFZSA-N 430.460 5.126 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@H]1c1ccccc1 170223919 YOJMIBPJSSSJRL-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccccc1 170233876 GTWWIUZTPFQLDC-IBGZPJMESA-N 446.330 5.523 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(F)cc2)c1 170242195 JGLVDDGZAIFKGA-HSZRJFAPSA-N 437.511 5.526 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1ccc(F)cc1 170243306 YPLBEMIUXABWPC-FQEVSTJZSA-N 427.859 5.604 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccc(O)c2)ccc1OC(C)C 170259307 HIEPRHMEWYEPBH-XMMPIXPASA-N 443.499 5.271 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2C2CCCCC2)cc1 170266774 UAHWFMBOZZWUIR-HSZRJFAPSA-N 437.511 5.308 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C2CCCC2)cc1 170268559 BOCQUVHUYPQERP-VWLOTQADSA-N 429.560 5.649 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cn(C)c2ccccc12 170269590 REDOQFSHUXUIQB-HXUWFJFHSA-N 443.330 5.473 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccco2)cc1 170281041 XDPVBTBBEKNAJK-QHCPKHFHSA-N 431.488 5.585 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(C(C)C)cc2)c1 170378155 BLXMJXLLGZQUFT-HSZRJFAPSA-N 431.488 5.585 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(OC)cc2)cc1 170452992 SREMODBSAIVVPX-XMMPIXPASA-N 436.552 5.057 30 10 IKEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]3c3ccc(C(C)(C)C)cc3)nc2c1 170472278 UFQPFBIPROYZAL-NRFANRHFSA-N 445.563 5.684 30 10 IKEE Cc1cccc(Oc2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@H]3c3cccnc3)cc2)c1 170481351 RBQBNLPUXLISNU-HSZRJFAPSA-N 428.488 5.307 30 10 IKEE CN(C)c1ccc(N=Cc2nc(-c3ccccc3)oc2OC(=O)c2cccc(Cl)c2)cc1 252616179 JYLJVECKHGUUMG-UHFFFAOYSA-N 445.906 6.031 30 10 IKEE Oc1ccc(Br)cc1C=Nc1ccccc1N=Cc1c(O)ccc2ccccc12 252622973 OGXFNOMCIFLQRW-UHFFFAOYSA-N 445.316 6.515 30 10 IKEE Clc1ccccc1C=Nc1ccc(Cc2ccc(N=Cc3ccccc3Cl)cc2)cc1 254307030 DNPWJNYWWYZJCF-UHFFFAOYSA-N 443.377 8.085 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Br)c(Cl)c1F 407151403 IFPATLSFDSBDOI-WMLDXEAASA-N 449.792 5.752 30 10 IKEE CCOc1ccc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1OCC 526488987 OIOYIZJCVJWYJR-QHCPKHFHSA-N 446.528 5.474 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2cc(Cl)c(O)c(Cl)c2)cc1 526490418 WPRVECPBOLHLOC-GOSISDBHSA-N 443.311 5.689 30 10 IKEE COc1cccc([C@H]2C(c3cccc4ccccc34)=C(O)C(=O)N2c2cccc(C#N)c2)c1 526519321 HCOVYNIBXCRDAH-SANMLTNESA-N 432.479 5.777 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1c(C)n(CC)c2ccccc12 526808451 JKDXMAXELOZEDH-QQXSKIMKSA-N 431.609 5.997 30 10 IKEE CCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1ccc(OC)c(OC(C)C)c1 526811478 LDSKYRAPYNOUDX-QFEZKATASA-N 438.597 5.428 30 10 IKEE CCCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1ccc(OC)cc1 526815330 RBPGFYRBNGITLV-CFRMEGHHSA-N 449.407 6.111 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1cccc([N+](=O)[O-])c1 526821805 LWLUFVFUSPLNKI-IWIPYMOSSA-N 431.521 5.467 30 10 IKEE CCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1ccc(OC(C)C)c(Cl)c1 526825000 DVPGPNAVMAIING-MXAYSNPKSA-N 446.979 5.985 30 10 IKEE CCCOc1cccc(/C=N\n2c(CCC)nnc2SCc2ccc([N+](=O)[O-])cc2)c1 526828535 HOCYKESYICNISB-HAHDFKILSA-N 439.541 5.102 30 10 IKEE Cc1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1C 586249830 SCPLBGYYHBJYCY-UHFFFAOYSA-N 432.589 5.868 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H](CNC(=O)OC(C)(C)C)C(C)C)c1 698469317 GYYBZPCIBRQJPS-WOJBJXKFSA-N 431.577 5.426 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1ccc2c(c1)OCO2 698483065 SUFRZTRDOWVMBG-MRXNPFEDSA-N 431.286 5.184 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@@H](C#N)c1csc(Br)c1 698959382 UDSDHTOKJINQLY-AWEZNQCLSA-N 427.751 6.170 30 10 IKEE Cc1ccc(CSc2nc3ccc(N=Cc4cccc([N+](=O)[O-])c4)cc3s2)c(C)c1 1084319988 TVZCNMKGTXICIO-UHFFFAOYSA-N 433.558 6.864 30 10 IKEE O=S(=O)(c1cccc(N=Cc2cccs2)c1)c1cccc(N=Cc2cccs2)c1 1088727122 NGTXYEZUMFVKSF-UHFFFAOYSA-N 436.583 6.144 30 10 IKEE CC(=O)O[C@H]1CC[C@@]2(C)[C@@H]3CC[C@]4(C)[C@H](C[C@@H]5CCCC[C@@]54C(C)=O)[C@H]3C[C@H]3O[C@]32C1 1565538503 UOCUEIOMIAYZNI-BURZWDSCSA-N 428.613 5.468 30 10 IKEE Cc1csc(N=C2S/C(=C\C(Cl)=C/c3ccccc3)C(=O)N2C2CCCCC2)n1 1772739454 RNWMDWADDUITQQ-WPPINMALSA-N 444.025 6.511 30 10 IKEE C/C(C=NN=C1S/C(=C/c2ccccc2C)C(=O)N1Cc1ccco1)=C\c1ccccc1 1772759769 YBZVHAPSXKDDKT-WGGZAMTRSA-N 441.556 6.150 30 10 IKEE C=CCN(CC=C)c1cc(-c2cc3cnccc3c(NCc3ccccc3OC)n2)ccn1 1857833573 VRNIGHOGLCSGHX-UHFFFAOYSA-N 437.547 5.491 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)c1ccc(OC)c(OC)c1)[C@H](C)CC 1861066021 JRTQGIQCRKQXJB-AUSIDOKSSA-N 434.621 5.105 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)COc1c(C)ccc(C)c1C 1861665361 DXOOBWZVQCHGDQ-QHCPKHFHSA-N 430.633 5.239 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(CCc2ccccc2)n(Cc2c(F)cccc2Cl)n1 1862310903 ZFYJDUNXOXGOJL-UHFFFAOYSA-N 437.946 5.323 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C2CCCC2)cc1 1862384880 CHOGKZGLQNZMAJ-NRFANRHFSA-N 444.358 6.077 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2ccc(O)c(OCC)c2)cc1 1862396187 BXIDTPDUDXNHNE-HSZRJFAPSA-N 437.536 5.122 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@H]2c2ccccc2)cc1 1862412480 FSMFETBVYKSPMX-UPCLLVRISA-N 447.481 5.867 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccccc1F 1862430703 PWFLYBKYDKDHCY-QFIPXVFZSA-N 443.946 6.418 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1 1862443969 VAESFMQZZQGAHF-OAQYLSRUSA-N 445.918 5.264 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc(F)cc2F)cc1 1862478059 YCHOXKGJTYTQAM-QPJICYPMSA-N 425.475 5.430 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2cccc3ccccc23)cc1 1862480545 JEGROCJQEZKUJO-SANMLTNESA-N 439.555 6.449 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C2CC2)cc1 1862552826 CVXPLHIXQNMAEN-RUZDIDTESA-N 445.559 5.485 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C2CC2)cc1 1862585888 HFUNKBVZSXBENW-FQEVSTJZSA-N 446.330 5.523 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(OCCC)cc1 1862597227 TTWKCXSWQVNHNT-QHCPKHFHSA-N 437.536 5.340 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccccc1 1862620955 FHHWECHKEZDDPA-QHCPKHFHSA-N 435.520 5.354 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(F)cc1F 1862661100 OLMMSRGIBGVFBT-JOCHJYFZSA-N 443.490 5.092 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@H]1c1ccccc1Cl)c1ccc(F)cc1 1862675491 MFMGTENJEGZFBY-QHCPKHFHSA-N 449.909 5.690 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccccc3Cl)C2=O)cc1Cl 1863074509 RHAGFPIEDNYPNM-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C#N)c2)=C(c2cc(C)ccc2C)C1=O 1863403382 WWFZQOPPYBMBLU-UHFFFAOYSA-N 429.564 5.728 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(C)c(C)c2)C(=O)N(C[C@@H]2CCCO2)C1=O 1863603875 SSNLYFIXYZRRGO-QHCPKHFHSA-N 440.628 5.293 30 10 IKEE C=CCN(CC=C)c1cc(N(C)Cc2ccccc2)nc(-c2ccc(C(C)(C)C)cc2)n1 1867997866 LZBCDWGWMWJUAR-UHFFFAOYSA-N 426.608 6.256 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)c2cccc(Cl)c2)n(-c2ccccc2Cl)n1 1870003547 DFEXRDREXSZADH-UHFFFAOYSA-N 428.323 5.005 30 10 IKEE CCCCCCCOc1cn(CCc2ccc(C)cc2)c(CN2CCCCCC2)cc1=O 1870412663 GBHZJRFJXWOLGQ-UHFFFAOYSA-N 438.656 6.125 30 10 IKEE C=CCOc1cn(Cc2ccccc2)c(CNc2ccc(Oc3ccccc3)cc2)cc1=O 1870810922 YCKLELGPIYMVFO-UHFFFAOYSA-N 438.527 5.866 30 10 IKEE C=CCn1cc(OCc2cccc(Cl)c2)c(=O)cc1CNc1ccc(CCCC)cc1 1870827456 OYOWPDALCSYODC-UHFFFAOYSA-N 436.983 6.221 30 10 IKEE CCCCCCCOc1cn(CCCC)c(CNc2cc(OC)cc(OC)c2)cc1=O 1870830233 JBWCYIKYERAANO-UHFFFAOYSA-N 430.589 5.627 30 10 IKEE CCCCCCCOc1cn(Cc2cccnc2)c(CNc2cccc(C)c2C)cc1=O 1870833792 TXZPNLXZBLEQGT-UHFFFAOYSA-N 433.596 5.870 30 10 IKEE C=CCn1cc(OCc2ccc(C(C)C)cc2)c(=O)cc1CNc1ccc(C(C)(C)C)cc1 1870897639 LCDQDGODNHYDAK-UHFFFAOYSA-N 444.619 6.646 30 10 IKEE C=CCn1cc(OCc2c(C)cccc2C)c(=O)cc1CNc1cccc(C(F)(F)F)c1 1870920208 IJHODDMPAILHRG-UHFFFAOYSA-N 442.481 5.861 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4cccc(Br)c4)c3C)C2=O)o1 1871364572 RXYXTRKKCQMGQP-ODLFYWEKSA-N 439.261 5.494 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OC(=O)c3cccc4ccccc34)ccc2C1=O 1871378070 TWSRVDHKOKIQAY-QQXSKIMKSA-N 436.463 6.074 30 10 IKEE O=C(COc1ccc(Cl)cc1)Oc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O 1871381316 UENXJUKLIWKGPU-NHDPSOOVSA-N 441.266 5.594 30 10 IKEE Cc1c(OC(=O)c2ccc(OCC(C)C)cc2)ccc2c1O/C(=C\c1cccnc1)C2=O 1871383050 KJLHWHJCAGFLEE-QRVIBDJDSA-N 429.472 5.260 30 10 IKEE Cc1c(OC(=O)CC(C)C)ccc2c1O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O 1871386530 ZRAXDWPAJNUFHL-OCKHKDLRSA-N 428.868 5.083 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2)C3=O)c1 1871389052 HRWSIFSWDPSERU-HMAPJEAMSA-N 428.440 5.146 30 10 IKEE Cc1c(OCCOc2ccccc2)ccc2c1O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 1871397474 SRVIHHQXOMIUNT-BWAHOGKJSA-N 428.528 6.367 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OCCCCOc4cccc(C)c4)c3C)C2=O)cc1 1871403700 VGASTKAYYQSMEY-ITYLOYPMSA-N 444.527 6.166 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCc4cccc(C(=O)OC)c4)cc(C)c3C2=O)cc1 1871417800 RAKYSOFCQADKAF-OYKKKHCWSA-N 444.483 5.376 30 10 IKEE COc1ccc(C)cc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1sccc1C)C2=O 1871428688 ONPLTTKVJPHPIW-MTJSOVHGSA-N 449.528 5.316 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc(OCC(=O)Nc3ccc(C)cc3)c2C)C1=O 1871454316 JGHRWHUWJCKJJL-IWIPYMOSSA-N 443.499 5.336 30 10 IKEE COc1ccccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1sccc1C)C2=O 1871458134 AXZZTEKPRYGDHP-NDENLUEZSA-N 435.501 5.007 30 10 IKEE CCCCCCCCN=c1nc(N(CCCC)CCCC)[nH]c(=Nc2cccc(F)c2)[nH]1 1871545458 LKTKQPWVWQPRJS-UHFFFAOYSA-N 444.643 5.777 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)c(C)c1)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1871885683 BLEIMBPKWBXBMZ-XMMPIXPASA-N 442.625 5.150 30 10 IKEE C=CCN([C@H](CC)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1 1872019471 VZIJLMUWRYNOHH-OAQYLSRUSA-N 449.016 5.232 30 10 IKEE CCc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(F)cc3F)cs2)cc1 1872766107 CCLKDGIUBJCZAP-LJQANCHMSA-N 426.488 5.686 30 10 IKEE CC(C)COc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)c1 1872772878 JABWMEJVULRVCK-QFIPXVFZSA-N 432.589 6.632 30 10 IKEE CC(C)c1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(Br)cc3)n2)cc1 1872775614 VPZOCYKQXRCQAY-LJQANCHMSA-N 439.378 6.115 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@@H](C#N)C(=O)[C@@H](C)Oc2ccccc2C(C)C)n1 1872780280 DWFNLJZFOSQPLP-NQIIRXRSSA-N 448.588 6.203 30 10 IKEE CCCCCCCCNC1=C(c2cccc3ccccc23)C(=O)N(C2CCCCCC2)C1=O 1873025461 FFEVZQGEHDXCIM-UHFFFAOYSA-N 446.635 6.593 30 10 IKEE C=CCN1C(=O)C(Nc2cc(C)ccc2C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422753 NPGKTEQJBXCODH-UHFFFAOYSA-N 425.532 5.089 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(N(CC)CC)cc2)cc2c(NCCC(C)C)ncnc21 1873611151 KLIUJWUDWYORTH-UHFFFAOYSA-N 434.588 5.174 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccccc1CC)n2C 1873628911 AHQMKNLJGLASHU-UHFFFAOYSA-N 435.616 6.336 30 10 IKEE C=CCn1c(C(=O)Nc2cc(Cl)cc(Cl)c2)cc2c(N(CC)CCCC)ncnc21 1873654751 UAPJBXSSVRSDOC-UHFFFAOYSA-N 446.382 5.803 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1ccccc1 1874204324 VLFRERWNTJBTHH-FOKLQQMPSA-N 433.364 5.714 30 10 IKEE CCCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccc(Cl)cc1 1874218018 QFWYDVNLQFAUSL-WYMPLXKRSA-N 449.407 6.165 30 10 IKEE COc1ccc(OCc2nnc(SCCc3ccccc3)n2/N=C/c2ccccc2)cc1 1874293536 HWERFVXORHSMOF-NLRVBDNBSA-N 444.560 5.083 30 10 IKEE CCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1ccc(Cl)c(Cl)c1 1874295069 IIKSWOXIEQHFMG-SRZZPIQSSA-N 436.324 5.078 30 10 IKEE C=CCSc1nnc(Cc2ccc(OCC)cc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874303308 SDCUHZUZAHJVFE-NLRVBDNBSA-N 434.609 5.725 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2ccccc2)cc1C 1874452096 DCUAZKPNEARISG-MFKUBSTISA-N 433.581 5.166 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccco2)n1/N=C/c1ccccc1OC(C)C 1874464366 GIXJVLMQSYNIAJ-MFKUBSTISA-N 432.549 5.808 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc(OC)cc1OC 1874476100 GDBRMEFHEHFJEG-ZVHZXABRSA-N 444.988 5.466 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2ccccc2Cl)cc1 1874482637 JKIFWYVIYDMCPU-ZMOGYAJESA-N 441.988 5.150 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(CC(C)C)nnc1SCc1ccccc1C 1874488641 CEPRELOICOYOID-JVWAILMASA-N 444.604 6.121 30 10 IKEE O=C(COc1ccc2ccccc2c1/C=C/C(=O)c1ccccc1Cl)NCc1ccco1 1874574797 GXKBNNIGUQLNSA-OUKQBFOZSA-N 445.902 5.678 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2ccc(C)cc2)cc1 1874577913 MEIJNUNQZAHQID-SFQUDFHCSA-N 445.515 5.316 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(F)c(F)c2)c1OCc1ccccc1C 1874585167 OVNPFXRZACVRPA-CSKARUKUSA-N 428.862 6.410 30 10 IKEE COc1cc(C(=O)/C=C/c2ccccc2OCc2ccccc2F)c(OC)cc1Cl 1874587486 PAUCDNKMUFXGOJ-VAWYXSNFSA-N 426.871 5.971 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2cccc(F)c2)cc1Cl 1874590652 GGGPMGLPENLLEH-VMPITWQZSA-N 431.290 6.616 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2)c(Br)c1)c1ccc2ccccc2c1 1874603556 SGFVISUZUKLVHD-GXDHUFHOSA-N 443.340 7.077 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc([N+](=O)[O-])c1OCc1ccccc1C 1874605048 OZSKXNNFWATWJT-NTCAYCPXSA-N 445.515 6.339 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)cc1 1874616882 YDXVEIAZLBIBNX-CXUHLZMHSA-N 443.543 6.006 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OCC(=O)Nc2cccc(C)c2)c(Cl)c1 1874619918 ZKWATFOBZZPKIF-CSKARUKUSA-N 449.934 5.879 30 10 IKEE CCCOc1c(Cl)cc(/C=C/C(=O)c2cc(Cl)c(OC)cc2OC)cc1OCC 1874631854 XXFYVYTWTWOTNQ-BQYQJAHWSA-N 439.335 6.094 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccc(F)cc3F)c2)cc1 1874696382 AUDGMTOOQWXUPJ-QDEBKDIKSA-N 438.426 5.026 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)CCCOc3ccccc3)c2)cc1C 1874717715 KSBUVIXYVRDCAH-CCEZHUSRSA-N 444.527 5.973 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3OC)c(OC)c2)cc1 1875100775 CDJMIUTZSLDPFK-RVDMUPIBSA-N 430.500 5.310 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)cc3F)cc2)cc1 1875106060 ZWWVSYNFPILALJ-CXUHLZMHSA-N 434.482 6.352 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC(=O)Cc1ccc(F)cc1F 1875122567 PBWOFRAVRQNSMS-KRXBUXKQSA-N 444.380 5.296 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2F)c([N+](=O)[O-])c1)c1cccc(Cl)c1 1875124318 HFYAYDKTPZIUSN-CSKARUKUSA-N 425.799 5.503 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)c1cnc(C)cn1 1875125575 PTTFZYNLJKTFEJ-IZZDOVSWSA-N 448.906 5.291 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3-c3ccccc3)cc2)cc1 1875129581 JNCOHVAXIRKUHT-KGENOOAVSA-N 448.518 6.868 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1Cl 1875131490 AKOFXZKNEIHYOV-UKTHLTGXSA-N 448.946 6.400 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3c(C)cccc3C)c(Cl)c2)c(C)c1 1875131491 ALJMRLVUOZVDGK-FMIVXFBMSA-N 448.946 6.454 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1ccc(F)cc1F 1875136334 JQYWAGPPPKYEKZ-MDWZMJQESA-N 448.465 6.126 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)c(Cl)c2)c1 1875139723 XAOKYUSHBWGCRP-RIYZIHGNSA-N 446.974 7.370 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1ccccc1F 1875170138 JHINZRNHJKCEHR-ZRDIBKRKSA-N 432.491 6.183 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)CC(C)(C)C)c(OC)c2)c(OC)c1 1875178984 NPROKYGGIPQMRA-JXMROGBWSA-N 446.927 5.604 30 10 IKEE CCCCCCCN(C)C(=O)c1ccc(I)c(Br)c1 1887038707 PASRBGAPNNUTRW-UHFFFAOYSA-N 438.147 5.096 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)[C@@H](C)Oc3cccc4ccccc34)ccc21 1891250857 KLNKLDUYNXXUNF-GOSISDBHSA-N 444.531 5.183 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@](C#N)(N(Cc1ccccc1)C(=O)OC(C)(C)C)C2 1893009631 MZOSYGUDAGSAEM-RLSLOFABSA-N 441.572 5.105 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CC[C@H](CCNC(=O)OC(C)(C)C)C(C)C)NCCC 1922076082 BUFMCYQHTARLJT-JWQCQUIFSA-N 446.676 6.095 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1sccc1CNC(=O)OC(C)(C)C 1922112846 ORDJBGJWEFVXFT-NRFANRHFSA-N 430.614 5.587 30 10 IKEE CC[C@](C#N)(CCNC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1936966571 XWRZKYYXHGJJCF-JOCHJYFZSA-N 437.968 5.669 30 10 IKEE CC(C)(C)OC(=O)Nc1ccccc1[C@H](C#N)N(C[C@H]1CCCO1)C(=O)OC(C)(C)C 1944208191 UUKPUCVVBVDVDM-APWZRJJASA-N 431.533 5.014 30 10 IKEE CC1(C)C[C@@H]([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)N(C(=O)OC(C)(C)C)C1 1945905142 BXKKQCJHKAOMAK-OALUTQOASA-N 435.609 5.484 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)C1(C#N)C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 1946007032 LFGMPFFASFNYMV-KEVCNVLYSA-N 437.609 5.575 30 10 IKEE C=CCC[C@H](C)[C@@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 1996467652 RJTSQUOQRHXNJY-SYVJQLTCSA-N 429.649 5.126 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@]1(C#N)CCCC[C@H]1OCc1ccccc1 1998819220 RKLSJKYHUWEISU-RDGATRHJSA-N 440.971 6.503 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@@]1(C)CCN1C(=O)OC(C)(C)C 1999895952 FOBOHMVKVYEGOU-RPWUZVMVSA-N 429.561 5.418 30 10 IKEE Cc1cccc(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 2008450401 ZTDUBDBZQUKZFE-IMWIBFENSA-N 427.545 5.028 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](C[C@@H](C)COCc2ccccc2)NCCC)C1 2011718608 CMTWFEUGMGJNAN-OFNKIYASSA-N 430.633 5.459 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@@]1(C#N)C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2033845309 DQIQVWWFJDWSDL-VSVJTWGKSA-N 435.543 5.657 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@]2(C)CCN2C(=O)OC(C)(C)C)cc1 2045192626 QSDIVFXGKUXMHQ-ZEQRLZLVSA-N 445.560 5.118 30 10 IKEE Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)C=Cc3cccc(C(F)(F)F)c3)cc2)cc1 2053621877 BXHSEJWQNJEJHL-UHFFFAOYSA-N 445.462 5.711 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)c(Cl)c1F 2063092638 NQHCZJWSNPGFNT-BBRMVZONSA-N 435.765 5.362 30 10 IKEE Cc1cc(C)c([C@@H](C2CC2)n2nc(C3CC3)c(C#N)c2I)cc1C 2078979568 ORLRMNZYVFUGMV-LJQANCHMSA-N 431.321 5.161 30 10 IKEE Fc1cc(C(F)(F)F)cc(-c2c(C(F)(F)F)nn3c(Cl)c4c(nc23)CCCC4)n1 2081146784 CVMHVXKKMXRRJP-UHFFFAOYSA-N 438.734 5.500 30 10 IKEE C=CCCCCCCCCC[C@@H](CCN(Cc1ccccc1)C(=O)OC(C)(C)C)NCC 2086281095 PHFSJCHZBPYTBY-SANMLTNESA-N 444.704 7.489 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)c(Cl)c1 2103300370 OTAVNNRYAVDGQU-ROUUACIJSA-N 443.813 5.450 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)C1(C#N)CCC2(CCNC2)CC1 2155995836 XWFKWKZXSLGWGS-UHFFFAOYSA-N 434.378 5.007 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@](C)(O)c1ccc(C)c(Br)c1 2162076750 BOTWYOJTNKQLFU-DHIUTWEWSA-N 432.402 5.106 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H](Nc2cc(Br)cc(F)c2C#N)C1 2163690631 WRLDRJKQZJKVIG-KRWDZBQOSA-N 438.341 5.051 30 10 IKEE CN(C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Br)C1(C#N)CCCCC1 2181043520 BSPRHQTUBVEGOQ-UHFFFAOYSA-N 436.350 5.095 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(Nc2cccc(Br)c2)CC12CCCC2 2194581989 FVKMSGOGTUZUNP-FQEVSTJZSA-N 434.378 5.467 30 10 IKEE CC#CCCCC[C@@H](NCCC)c1ccc(I)c(Br)c1 2196170837 CUIXIVNDIUUIIB-QGZVFWFLSA-N 448.186 5.678 30 10 IKEE C#CC[C@@H](C[C@@H](NCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1)C1CC1 2196857836 XZWGMRZCFMWDEU-OXJNMPFZSA-N 435.406 5.886 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Br)cc([C@@H](O)C#Cc2cccc(Cl)c2)c1 2230997506 RYSFUFVCWQCIOK-SFHVURJKSA-N 436.733 5.535 30 10 IKEE CCCCCCCC[C@H](C)Nc1cc(I)ccc1Br 2231925668 YJUKHKOKMLXRJW-ZDUSSCGKSA-N 438.191 6.605 30 10 IKEE CCCCCCCC[C@H](O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237404719 JXIKFDAKMHKRRR-PMACEKPBSA-N 442.438 5.996 30 10 IKEE C=C(C)CCCC[C@H](NC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2250127865 BBVKMSSJVBUVMV-QHCPKHFHSA-N 429.649 5.270 30 10 IKEE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)C(=O)CC#CC1CCCC1 2289847390 HSZVCSSUTCESNM-LJQANCHMSA-N 434.374 5.038 30 10 IKEE O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@H](c2ccc(F)cc2)C1=C(O)c1ccccc1 2296099281 ZAYNSVPITQDRCW-HXUWFJFHSA-N 448.450 5.201 30 10 IKEE CSc1ccc(C=C2SC(=Nc3c(C)cccc3C)N(c3ccccc3)C2=O)cc1 2297296062 BOMAVHIAQDSVEG-UHFFFAOYSA-N 430.598 6.834 30 10 IKEE COc1ccc(Br)c(C=C2SC(=Nc3ccc(C)c(Cl)c3)NC2=O)c1 2297460747 YPZAXSICXQQUND-UHFFFAOYSA-N 437.746 5.311 30 10 IKEE CCOc1ccc(N=C2NC(=O)C(=Cc3cc(C)n(-c4cccc(F)c4)c3C)S2)cc1 2313560147 KZGKXDOJGGZEJH-UHFFFAOYSA-N 435.524 5.524 30 10 IKEE O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccccc1F 2314478381 SOCGAMWZHNBVON-RUZDIDTESA-N 427.475 5.046 30 10 IKEE O=C(C=Cc1c[nH]nc1-c1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2cccs2)cc1 2314522856 AYVOAJQFZPVYPQ-UHFFFAOYSA-N 444.472 5.195 30 10 IKEE Sc1nnc(C2CCC2)n1N=Cc1cccc(OCc2c(Cl)cccc2Cl)c1 2321901692 IUGYMDPNUDMTLE-UHFFFAOYSA-N 433.364 5.602 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(Cl)cc1)O3)CN(C1CCCCCCC1)CO2 2322178962 UOGPNVUETFUCKT-UHFFFAOYSA-N 437.967 6.529 30 10 IKEE O=C(COc1ccccc1C=CC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc(F)cc1 2322580801 BEWRPKRUMIWGKR-UHFFFAOYSA-N 444.289 6.046 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc5c(c4)OCO5)c3C)C2=O)cc1 2322775632 HOKYIVGMPFGJER-UHFFFAOYSA-N 428.440 5.122 30 10 IKEE CCOc1cc(C=NNc2nc3ccc(C)cc3[nH]2)ccc1OCc1cc(C)ccc1C 2323202464 WSZSHAJIVKUCJM-UHFFFAOYSA-N 428.536 5.912 30 10 IKEE COc1ccc(C=CC(=O)c2cccc3ccccc23)cc1OCC(=O)Nc1nccs1 2323202828 NLJCKGLXWOSPSR-UHFFFAOYSA-N 444.512 5.219 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)cc1C 2323248159 KLNYBYIALXWWRN-UHFFFAOYSA-N 429.428 5.355 30 10 IKEE COc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)ccc1OCCc1ccccc1 2323354512 LTKDCVLCDKTMQL-UHFFFAOYSA-N 434.535 6.880 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccccc2Cl)cc1Cl)NCc1ccco1 2323603323 OTGUZBKTWTWYQR-UHFFFAOYSA-N 430.287 5.178 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OCc1c(F)cccc1Cl 2323814083 MAOLKYCFAJSWTD-UHFFFAOYSA-N 436.910 6.691 30 10 IKEE COc1ccccc1-c1csc(NN=Cc2ccc(OCc3ccccc3)c(Cl)c2)n1 2323839806 BCUHCEKHWUPDSS-UHFFFAOYSA-N 449.963 6.497 30 10 IKEE Cc1sc(NN=Cc2ccc(OC(C)C)c(Br)c2)nc1-c1ccccc1 2323865380 VCUZBFLGFLRRJE-UHFFFAOYSA-N 430.371 6.114 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)c4cccc(OC(=O)C(C)C)c4)ccc3C2=O)c1 2323908027 JKVQMBQPNKRZGK-UHFFFAOYSA-N 442.467 5.392 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc(O)c2CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)C1=O 2324097400 PDNFHEAOQIVMIH-GDJIYFAZSA-N 447.575 5.808 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(O[C@H](C)C(=O)Nc4ccc(F)cc4)c3C)C2=O)cc1 2324319167 KLUXRYSWBBWQNU-QGZVFWFLSA-N 431.463 5.465 30 10 IKEE CCCOc1ccc(C=CC(=O)c2cc(OC)c(Cl)cc2OC)cc1Br 2324406281 BUZIODDGIKKDEV-UHFFFAOYSA-N 439.733 5.805 30 10 IKEE N#C[C@H](C(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2324537123 DDICUFVBDYUOAE-OAHLLOKOSA-N 444.299 5.915 30 10 IKEE Cc1c(OCC(=O)C(C)(C)C)ccc2c1OC(=Cc1ccccc1Br)C2=O 2324922989 ARADMDHFISYDOH-UHFFFAOYSA-N 429.310 5.368 30 10 IKEE CCn1cc(C=C2Oc3cc(OCCc4ccc(C)cc4)cc(C)c3C2=O)c2ccccc21 2325369986 WWKUOUFCALMIAN-UHFFFAOYSA-N 437.539 6.516 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2325513822 CXABHRILFCOQBM-UHFFFAOYSA-N 443.960 5.665 30 10 IKEE CCc1nnc(SCc2ccccc2)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2325589978 UEBBXMKNXPIJTC-UHFFFAOYSA-N 442.544 5.234 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccco2)C3=O)cc1 2325621760 KUAUZVKJGYCDFN-MRXNPFEDSA-N 431.488 5.735 30 10 IKEE COc1ccccc1OCC(=O)Oc1cccc(C=CC(=O)c2cccc3ccccc23)c1 2325750072 UYCGEXXTYPNTDB-UHFFFAOYSA-N 438.479 5.729 30 10 IKEE CCOc1ccc(C=Nn2c(CCc3ccccc3Cl)nnc2SCC)cc1OC 2327942098 OPLMCHCUHMKWSZ-UHFFFAOYSA-N 444.988 5.118 30 10 IKEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1cc(Cl)ccc1O 2328075458 NTQLYLGMFUAJOV-UHFFFAOYSA-N 433.364 5.236 30 10 IKEE CCCSc1nnc(COc2ccc(OC)cc2)n1N=Cc1c(F)cccc1Cl 2328403710 CEPXLPSJRSBHKL-UHFFFAOYSA-N 434.924 5.043 30 10 IKEE CC(C)C[C@@H](CS)COCc1cc(I)ccc1Br 2328526893 AMCWWPFCSHWAFU-LLVKDONJSA-N 443.188 5.162 30 10 IKEE Cc1cccc(CSc2nnc(CCOc3ccccc3)n2N=Cc2ccc(F)cc2)c1 2329167525 GEZQXJNEQCRSRH-UHFFFAOYSA-N 446.551 5.522 30 10 IKEE Cc1ccc(C=Nn2c(SCCc3ccccc3)nnc2-c2ccccc2Cl)cc1 2329587396 VQMSBSIGYWHASJ-UHFFFAOYSA-N 432.980 6.124 30 10 IKEE Fc1cccc(CSc2nnc(CCc3cccs3)n2N=Cc2ccccc2F)c1 2329644976 GDFKYBCVILOTRY-UHFFFAOYSA-N 440.544 5.578 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(F)cc3)n2N=Cc2cccc(F)c2)c1 2329816266 CIDYQSMGOGPBNU-UHFFFAOYSA-N 434.515 5.630 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCCc3ccccc3)nnc2[C@@H](C)c2ccccc2)c1 2330115292 XRCWSFXVCSTBJG-FQEVSTJZSA-N 442.588 5.661 30 10 IKEE Cc1ccccc1CSc1nnc(-c2cccs2)n1N=Cc1ccc(C(C)C)cc1 2330538228 DOWFKAKHHZAFND-UHFFFAOYSA-N 432.618 6.613 30 10 IKEE C(=Nn1c(SCc2cccc3ccccc23)nnc1-c1cccs1)c1cccnc1 2330596535 HXWIHNFXPCDTID-UHFFFAOYSA-N 427.558 5.729 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(N(C)C)cc3)c(OC)c2)cc1 2330770389 DLUXFZGGRBOLCF-UHFFFAOYSA-N 429.516 5.439 30 10 IKEE COc1ccc(OC)c(C=Nn2c(CC(C)(C)C)nnc2SCc2ccc(C)cc2)c1 2330802299 ZVDOQTTWGHDACT-UHFFFAOYSA-N 438.597 5.367 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(CC(C)(C)C)n2N=Cc2cccs2)cc1 2330821200 XOONGGWISYFCDC-UHFFFAOYSA-N 441.626 5.104 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(C=CC(=O)c3ccccc3Cl)cc2Cl)c1 2330913368 UUSPRSAZJRUCAX-UHFFFAOYSA-N 439.338 6.654 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)cc3)c(OC)c2)cc1 2331211373 SFRPQFRMRQZKKE-UHFFFAOYSA-N 434.463 5.277 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c(OC)c2)cc1 2331212481 ACQKEEQZIIHFNR-UHFFFAOYSA-N 447.443 5.117 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1OC(=O)c1cccs1 2331279580 RBVKIPLDSBBWBM-UHFFFAOYSA-N 437.473 5.479 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3F)c([N+](=O)[O-])c2)cc1 2331498350 ILFOFLMJNMKZSH-UHFFFAOYSA-N 433.435 5.973 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)cc(Br)c1OC(=O)CC(C)C 2331537698 KYKKPAIPBDULLR-UHFFFAOYSA-N 449.316 5.835 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3)c([N+](=O)[O-])c2)c(C)c1C 2331618297 IINAHGBSKSFCHJ-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE CCCSc1nnc(C(C)C)n1N=Cc1c(OCc2ccccc2)ccc2ccccc12 2331705634 QVFCPIOKEQOVJK-UHFFFAOYSA-N 444.604 6.518 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1c[nH]c2ccccc12 2331708571 XNFGMBLHZJXXQM-UHFFFAOYSA-N 444.391 6.364 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc1 2331741396 METDBMRMHLFGFS-UHFFFAOYSA-N 442.983 7.209 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)CCCOc3ccccc3)cc2)c(C)c1 2331764555 PDWVQGGARIQKIK-UHFFFAOYSA-N 428.528 6.273 30 10 IKEE CC1(C)OB(C=Cc2ccc(NC[C@@]3(C)CCCN3Cc3ccccc3)nc2)OC1(C)C 2339543842 XHNNCEPOTOGLNE-AREMUKBSSA-N 433.405 5.193 30 10 IKEE CCCN[C@H](C#C[C@H]1CC1(C)C)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2365089371 YVIBBBUXQBSPMQ-HNAYVOBHSA-N 435.406 5.886 30 10 IKEE CC1(C)C(=S)N(c2ccc(C#N)cc2)/C(=N/c2ccc(Cl)cc2)[C@@H]1N1CCCCC1 15861689 YZGHLHQOKHHFJC-SLYKPICWSA-N 437.012 5.970 30 10 IKEE CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2O)cc1 21251417 LONUQOYJQIEJOO-GDJIYFAZSA-N 438.571 6.669 30 10 IKEE C=CCN1C(=O)/C(=C\C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)Sc2ccccc21 23335630 ICRVXRARNJZVFP-ZUGOUDHMSA-N 440.568 5.295 30 10 IKEE CCOc1ccc([C@@H]2C3=C(C[C@@H](c4ccc(Cl)cc4)CC3=O)Nc3onc(C)c32)cc1 28052164 AHLJQHUISPHXIK-HXOBKFHXSA-N 434.923 5.993 30 10 IKEE C=CCCC(O)(CCC=C)c1ccc(CN(Cc2cccc(F)c2)C[C@H]2CCCO2)o1 36203034 AQDKFJAETBTABE-HSZRJFAPSA-N 427.560 5.720 30 10 IKEE C=CCOc1ccc(/C=C2\S/C(=N/c3nccs3)N(C3CCCCC3)C2=O)cc1 39865108 IBCRPDRTUOLZAN-HVYSLKEZSA-N 425.579 5.645 30 10 IKEE Cc1cccc(CSc2nc3ccc(/N=C/c4c(F)cccc4Cl)cc3s2)c1 59517201 UEGVINQVIDGUHS-BRJLIKDPSA-N 426.969 7.440 30 10 IKEE C=CCn1c(SCc2ccc(Cl)cc2F)nnc1-c1ccc(Br)cc1 72262328 ZMCSKSNKHHTQTM-UHFFFAOYSA-N 438.753 5.978 30 10 IKEE COc1ccc(-c2nc(SC)nc(NC34CC5CC(CC(C5)C3)C4)c2C#N)cc1OC 96470896 VFYDDQISLLZXMT-UHFFFAOYSA-N 436.581 5.135 30 10 IKEE CCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)O)cc2Br)cc1 100150336 DJGFHUCKEGQZSN-UHFFFAOYSA-N 435.314 5.716 30 10 IKEE CCCCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N/c1ccc(F)cc1 100176207 WFTROEHQCDJWQO-MWWVQSJNSA-N 427.570 5.990 30 10 IKEE O=C1/C(=C/c2ccccc2Cl)S/C(=N/c2cccnc2Cl)N1c1ccccc1 101126865 XEUXPQDDJWWZDM-OQJKFJKISA-N 426.328 6.197 30 10 IKEE C=CCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@@H](c1ccccc1)N(Cc1cccc(C)c1)CC2 105022716 KDWPIOPOLORVBC-SKCUWOTOSA-N 440.587 5.212 30 10 IKEE C=CCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)S/C1=N/c1ccccc1C 107046992 IZVYDDJPBQSGBS-WDIQAHRZSA-N 427.982 5.809 30 10 IKEE Fc1ccc(NC(=S)N/N=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 108618839 IYTCTXLMCSANFW-WGARJPEWSA-N 433.487 5.138 30 10 IKEE C=C(C)[C@H]1CC[C@@]2(CO)CC[C@@]3(C)[C@@H](CC[C@H]4[C@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12 118922255 FVWJYYTZTCVBKE-AHFSGVSASA-N 442.728 6.997 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2OC)cc1 169940567 OAXXOAXFTNSBDN-QHCPKHFHSA-N 431.463 5.180 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(O)cc2)c(C)c1 169963007 ZHSSIOHZDUJQSG-QFIPXVFZSA-N 433.891 5.445 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1ccc(O)cc1)c1cccc(Cl)c1 169964098 IWBAKZWHZPXTFX-FQEVSTJZSA-N 441.817 5.107 30 10 IKEE CC(C)Oc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCC2)cc1 169979288 VHPYUMJOQFKCGB-JOCHJYFZSA-N 439.939 5.648 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2cccs2)c1 169981772 GCJSMWUHVDDGLH-JOCHJYFZSA-N 433.529 5.547 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccccc2)cc1 170032808 QADGRMPZFHEECC-AREMUKBSSA-N 441.527 5.577 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)ccc4[nH]3)[C@@H]2c2ccccc2)c1 170055976 LWHCNTPCYMVION-HSZRJFAPSA-N 437.499 5.271 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@@H]2c2ccc(F)cc2)cc1C 170065636 DWNLTXQYGIZYDT-JOCHJYFZSA-N 441.462 5.102 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@H]1c1ccc(OC)cc1 170115900 FPMLKAWNCLMKRU-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1cccc(OCC)c1 170218077 GBGQMJOZGYYEDM-HSZRJFAPSA-N 437.536 5.108 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2)cc1C 170223548 JJMXQHARKJXVGU-XMMPIXPASA-N 445.490 5.706 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2)c1 170231384 OYNAWZCIRJBWNI-DEOSSOPVSA-N 433.548 5.632 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccc(F)cc2)cc1 170240242 AKUNEZGHGYOEEM-QHCPKHFHSA-N 431.463 5.316 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)=C(O)C(=O)N1c1ccccc1C 170273246 JFORHTHJSLHTGN-IQGLISFBSA-N 439.511 5.410 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(C)o2)ccc1Cl 170299551 MUEGFNCSULXQDU-HXUWFJFHSA-N 441.842 5.172 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(C)o2)cc1C(C)C 170310748 KTFBORXWULZXNF-QHCPKHFHSA-N 437.536 5.631 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 170421427 PQNFVEKWTZDRFF-JOCHJYFZSA-N 433.891 5.127 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@H]2c2ccc(N(C)C)cc2)c1 170443091 QFLDHJJEWLTCPL-XMMPIXPASA-N 436.552 5.057 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1Cl 170470006 CIHVWQAUQAPHLP-QFIPXVFZSA-N 449.934 6.322 30 10 IKEE CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](C(C#N)C#N)CC[C@]4(C)[C@@H]3CC[C@]12C 253609152 CCXNGZZZEMMYFL-OTMGAZPVSA-N 436.728 8.387 30 10 IKEE Cc1ccccc1-c1nnc(S)n1N=Cc1ccc(-c2ccccc2Br)o1 254342086 UBKLOJJFDUTICO-UHFFFAOYSA-N 439.338 5.447 30 10 IKEE Cc1ccccc1N=C1S/C(=C2/Sc3ccccc3N2C)C(=O)N1c1ccc(O)cc1 254834134 RVSPVHVYWIMLIF-CSFSZXLXSA-N 445.569 5.879 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(/C=C\C(=O)Cc2cccc(F)c2Br)cc1 405941640 UMHGNVGNDXKLEN-XFXZXTDPSA-N 434.305 5.760 30 10 IKEE CC(=O)Oc1ccc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526488069 DJXVTCKQEQDLRK-QHCPKHFHSA-N 444.874 5.194 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(Sc2ccccc2)C1=O 526659771 ZXSINYZMASEMDM-UHFFFAOYSA-N 445.931 5.509 30 10 IKEE CC(C)Oc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1ccc(F)cc1F 526709455 FUAARUBYLAMJBI-QHCPKHFHSA-N 449.453 5.535 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1ccc(O)cc1 526813592 DAUKBNVMSCOFSR-FMCGGJTJSA-N 435.380 5.808 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccc(OC(C)(C)C)cc1 526816296 ARLLQCZIHLTXIK-MYYYXRDXSA-N 443.016 6.236 30 10 IKEE CCCCCCCCCCCCCCCCCCOCCOC(=O)N[C@H](CO)CCC 585665921 OOWUEHSYTNCTEF-VWLOTQADSA-N 443.713 7.152 30 10 IKEE C=C(C)CN(c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586244996 LGBHPBNEUHSBCV-UHFFFAOYSA-N 440.270 5.663 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc(C(=O)NC(c3ccccc3)c3ccccc3)c2)c1 586581616 GORKQXFFZZRJJM-UHFFFAOYSA-N 431.495 5.330 30 10 IKEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2cccc(C(=O)OCCCC)c2)cc1 586713114 UOOMMMVSOJCRNQ-UHFFFAOYSA-N 435.524 5.102 30 10 IKEE C[C@@H](CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C)C(=O)O 888085966 ODKUOSVRZSFRNA-NJEWJOSZSA-N 430.629 5.632 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=Nc1nc(C)cs1 1772736312 TWKPXYNQKYZCFX-SJXTUUAMSA-N 440.506 5.244 30 10 IKEE Cc1c(C(=O)Nc2cccc(Cl)c2)oc2c1C(=NNc1ccc([N+](=O)[O-])cc1)CCC2 1772747011 GRKPSXQPNSCBIM-UHFFFAOYSA-N 438.871 5.554 30 10 IKEE CCN(C(=O)c1oc2c(c1C)C(=NNC(=S)Nc1ccccc1)CCC2)c1ccccc1 1772751470 RSJQEEVLJSSDIS-UHFFFAOYSA-N 446.576 5.282 30 10 IKEE C[C@H](CCC=O)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O[C@H]5CCCCO5)CC[C@]4(C)[C@H]3CC[C@@]21C 1848440631 OPWKMRIKPKJGNX-MWQMWJCCSA-N 442.684 7.092 30 10 IKEE C=CCN(CC=C)c1cc(-c2cc3cnccc3c(N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)n2)ccn1 1857831143 VGDCIMUIJKZJKA-IZZGNVEXSA-N 439.607 6.107 30 10 IKEE CN(C)c1ccc(C=Cc2cc(-c3ccccc3)cc(-c3ccccc3)[n+]2CC(=O)O)cc1 1857877991 AXURHTMLAFOXFK-UHFFFAOYSA-O 435.547 5.629 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)c1ccc2nc(C(C)C)[nH]c2c1 1861440655 UHWCEGLNXUOGGM-OAQYLSRUSA-N 428.621 5.452 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)COc1ccc(CCC)cc1 1861653974 YSZFILLEBNJKBM-DEOSSOPVSA-N 432.649 5.560 30 10 IKEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)[C@H](C)Oc1ccc(C(C)C)cc1 1861673968 NJOTVZFMTVQSNG-NRFANRHFSA-N 432.649 5.729 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)c1cccc(OCC(C)C)c1 1861760701 HGXLEYQPMPKAAF-XMMPIXPASA-N 430.633 5.583 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2ccccc2)cc1 1862387628 PDJLPXVOYUSOOV-AREMUKBSSA-N 439.555 6.116 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CCCCCC2)c1 1862414354 YDFWFNNMEJGUAF-JOCHJYFZSA-N 441.474 5.275 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccccc1Cl 1862417573 USAJJWXXJAMQSG-YIILKADPSA-N 445.893 5.775 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccco2)cc1 1862434419 YIXUDDUETGJODM-OAQYLSRUSA-N 437.879 5.110 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(C)cc1 1862441701 MEDNWSRGXQJSCU-QHCPKHFHSA-N 439.983 6.587 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(C(C)(C)C)cc1 1862461387 DINSSFRDAZUQER-ZSEKCTLFSA-N 445.481 5.778 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2ccccc2F)cc1 1862474976 ZWNHOVPQMDREMW-DEOSSOPVSA-N 429.491 5.529 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1Cl 1862476579 MAOKIKLYMRMFCD-HSZRJFAPSA-N 439.983 6.587 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862477438 MGNUISYQWSKORW-AREMUKBSSA-N 439.555 6.205 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1Cl 1862482635 PITDLGBBMLKUTJ-HXUWFJFHSA-N 448.346 5.307 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccccc1Cl 1862490717 CBZMVZIYHCMVFG-QFIPXVFZSA-N 425.956 6.115 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cccc(F)c1 1862502006 OXMMDWFDZVNPRE-HSZRJFAPSA-N 449.453 5.060 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccccc2Cl)ccc1F 1862502999 NLWWXWPDUOTGAR-MWTRTKDXSA-N 449.909 6.127 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862510686 HZWAYCWQHRSMPH-AOMKIAJQSA-N 425.500 5.300 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 1862534773 VICXLVSKYVHHMQ-JOCHJYFZSA-N 434.492 5.068 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(OCCCC)cc1 1862564741 HQMZVYGZCFHYBL-QHCPKHFHSA-N 436.552 5.216 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccc(O)cc2)cc1 1862663091 OYAMLHNSDHJFLL-IQGLISFBSA-N 441.527 5.855 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 1862675088 BETSZQPZCRDHPJ-FQEVSTJZSA-N 441.911 5.362 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc2cc[nH]c2c1)c1ccc(F)cc1 1862677771 FVOXKYJCTJDIBL-XMMPIXPASA-N 440.474 5.128 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@@H]2c2ccccc2C)c1 1862699190 RTSYNCRARNLZNJ-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@H]2c2ccccc2C)c1 1862699191 RTSYNCRARNLZNJ-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(C(C)C)cc3)C2=O)cc1C 1862876514 MASYLTBREAXPKK-UHFFFAOYSA-N 435.527 5.695 30 10 IKEE N#Cc1cccc(NC2=C(c3cccs3)C(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)c1 1863102163 GKAQQVLJNWYBBO-UHFFFAOYSA-N 440.311 5.323 30 10 IKEE CCCCCCN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863283820 MJNFIXSKSSUMDC-UHFFFAOYSA-N 442.346 5.637 30 10 IKEE CC[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C#N)cc1)c1ccc(Cl)cc1 1866957304 SNNOHLAWKAHNRW-ZEQRLZLVSA-N 445.950 5.071 30 10 IKEE CCC[C@@H](NC(=O)c1cccc(Oc2ccccc2)c1)C(=O)N[C@@H](C#N)c1ccc(C)cc1 1867701287 UAYVDOSIKLCZMW-RPBOFIJWSA-N 441.531 5.067 30 10 IKEE Cc1ccc(-c2nc(Nc3ccc(C#N)cc3)cc(N3CCO[C@H](c4cccnc4)C3)n2)cc1 1868330522 RYNOHTSQYGVOIN-DEOSSOPVSA-N 448.530 5.040 30 10 IKEE CC(C)c1ccc(Cn2nnc(C#N)c2NC(=O)/C(=C\c2ccccc2)c2ccccc2)cc1 1870106186 BANFPKCFURKCMZ-UQQQWYQISA-N 447.542 5.501 30 10 IKEE C=CCn1cc(OCc2cccc3ccccc23)c(=O)cc1CNc1ccc2c(c1)OCO2 1870918329 DKYDFVYHISXCHJ-UHFFFAOYSA-N 440.499 5.107 30 10 IKEE C#CCOc1cn(CCCCCC)c(CNc2ccc(-c3ccccc3C)cc2)cc1=O 1871008890 SRKFQDQCBIUTAV-UHFFFAOYSA-N 428.576 6.028 30 10 IKEE C=CCn1cc(OCCCCOc2ccccc2)c(=O)cc1CNc1cccc(C)c1C 1871225809 KXMIANJCDYVOJF-UHFFFAOYSA-N 432.564 5.501 30 10 IKEE CCCCCCCCN=c1nc2c(cnn2C)c(Nc2ccccc2Oc2ccccc2)[nH]1 1871295762 YFCSDMVIMOQTTJ-UHFFFAOYSA-N 444.583 6.094 30 10 IKEE CCCCCCCCN=c1[nH]c(Nc2ccc(Br)c(C)c2)ncc1[N+](=O)[O-] 1871305637 SPXMIKJUXIPTIP-UHFFFAOYSA-N 436.354 5.394 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1c(Cl)cccc1Cl)C3=O)CN(CCCN(C)C)CO2 1871351563 CLFKILJYPIDQDV-JAIQZWGSSA-N 447.362 5.022 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)C(C)(C)Oc4ccc(Cl)cc4)ccc3C2=O)o1 1871384864 MZQQOZSTZFGIEP-BKUYFWCQSA-N 438.863 5.621 30 10 IKEE C[C@H]1CN(Cc2c(O)ccc3c2O/C(=C\c2ccc(-c4ccccc4)cc2)C3=O)C[C@H](C)O1 1871395665 ZVLSSKKJLAAEFD-KNHLCXQWSA-N 441.527 5.285 30 10 IKEE C[C@H]1CCCN(Cc2c(O)ccc3c2O/C(=C\c2ccccc2Br)C3=O)C1 1871396447 GFKKVCWAPQNMEM-GNKPEBMXSA-N 428.326 5.003 30 10 IKEE CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1C)C2=O 1871403573 ZSQLIVKYGCOSQZ-AOBKZXEFSA-N 443.499 5.416 30 10 IKEE Cc1ccc(OCCCOc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1 1871404689 CHPAFGIWTDUAPJ-PKAZHMFMSA-N 428.528 6.583 30 10 IKEE Cc1cccc(OCCOc2ccc3c(c2C)O/C(=C\c2cn(C)c4ccccc24)C3=O)c1 1871407987 SOGVLOLZXWTILP-QQXSKIMKSA-N 439.511 5.869 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)c(C)c1 1871418716 JEGOMEUFMWMZTE-FMCGGJTJSA-N 447.918 5.899 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc(C)c4C)cc(C)c3C2=O)cc1 1871458959 IQUJXVJXCVJYAS-QFEZKATASA-N 441.527 5.808 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(F)cc1)[C@@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1871874096 NMNWCRYTMCBPGO-FDDCHVKYSA-N 446.588 5.063 30 10 IKEE C=CCN([C@H](CCC)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1cccs1 1872219795 PNWIRIGXTSYUIH-LJQANCHMSA-N 434.627 5.030 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccccc1C(C)C)C(C)C)S(=O)(=O)c1cccs1 1872439482 VHBSLTPXFGAQSK-NRFANRHFSA-N 434.627 5.102 30 10 IKEE C=CCN([C@H](CC(C)C)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(Cl)cc1 1872546674 GENVTXIEOOJYMI-JOCHJYFZSA-N 449.016 5.187 30 10 IKEE CC(C)c1ccccc1O[C@H](C)C(=O)[C@@H](C#N)c1nc(-c2cccc3ccccc23)cs1 1872775230 MAQIQTJLVCBWTH-WZONZLPQSA-N 440.568 6.730 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2C)C(=O)N(Cc2ccccc2OC)C1=O 1873104247 QOKMZOGMAUVGMP-UHFFFAOYSA-N 434.580 5.234 30 10 IKEE CCN1C(=O)C(Nc2cccc(F)c2)=C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O 1873350603 ORAHONBASKABOU-UHFFFAOYSA-N 446.322 5.075 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1cccc([N+](=O)[O-])c1C)n2C 1873619471 CEMISJYYSPXZEL-UHFFFAOYSA-N 438.532 5.210 30 10 IKEE CSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1/N=C/c1ccc(Cl)cc1 1874195438 NTJXLCMYSREHIN-PCLIKHOPSA-N 443.016 5.845 30 10 IKEE CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccc(C(C)C)cc1 1874217773 UVABOJYOACFVAN-DHRITJCHSA-N 443.016 6.245 30 10 IKEE CCCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1cccc2ccccc12 1874256134 VFPCLSIEKQPECQ-JVWAILMASA-N 444.604 6.320 30 10 IKEE COc1ccc(CCc2nnc(SCc3cc(C)ccc3C)n2/N=C/c2ccco2)cc1 1874305521 BYKDHSZVSWUGIR-WGOQTCKBSA-N 446.576 5.456 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3C)n2/N=C/c2ccc[nH]2)cc1C 1874329166 ZNWFZQOAZJWACD-JVWAILMASA-N 429.593 5.491 30 10 IKEE C=C(C)CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1c(Cl)cccc1Cl 1874395955 ZIVMNENZFYTOBY-ZWGXDWAISA-N 431.392 6.287 30 10 IKEE Cc1ccccc1CSc1nnc(-c2cccs2)n1/N=C/c1cccc2ccccc12 1874420902 KCFSDFJQUKFNOE-WGOQTCKBSA-N 440.597 6.643 30 10 IKEE CN(C)c1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2-c2cccs2)cc1 1874421304 FRKQKUJASWYDPH-ZVHZXABRSA-N 437.569 5.386 30 10 IKEE Cc1ccccc1CSc1nnc([C@H]2CCCO2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874444278 VMLUALCYAHYWGM-QVHMZZSFSA-N 447.391 5.919 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874503459 ISARORLJEDRXCB-WSDLNYQXSA-N 429.933 5.275 30 10 IKEE Cc1nnc(SCCc2ccccc2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874531447 KBBVBYMXJUOCGN-NLRVBDNBSA-N 428.561 5.383 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(S)nnc2CCc2ccc(Cl)cc2)cc1 1874566164 MQKQQAMINGOMBN-LFVJCYFKSA-N 428.989 5.457 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccccc2OCCc2ccccc2)cc1OCCC 1874576392 LBGZDVAGJIGOQZ-JQIJEIRASA-N 444.571 6.782 30 10 IKEE COc1cc(Br)cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c1OCCCO 1874582948 OOSSIGOVLCPJKE-DHZHZOJOSA-N 447.369 5.413 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)c1cccc2ccccc12 1874583514 RERDRPBYQQIBFL-ACCUITESSA-N 433.334 7.622 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1ccccc1)c1ccc(Oc2ccccc2)cc1 1874585590 XCUPNZGIWLEUDJ-GHRIWEEISA-N 440.926 7.607 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2F)c(Cl)c1)c1ccc(-c2ccccc2)cc1 1874601704 YBQYMGUNLMGYCY-MHWRWJLKSA-N 442.917 7.621 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1ccccc1F 1874602656 XMJWBJVOBNUOFK-OUKQBFOZSA-N 447.462 5.946 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3c(C)cccc3C)c(OC)c2)c1 1874605999 PYMIQPLYICNZRR-ACCUITESSA-N 445.515 5.234 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OCc1ccc(F)cc1 1874622914 BZCLNSVEJSNINR-FOWTUZBSSA-N 426.487 6.853 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc(Cl)c1OCCO 1874627164 JYNDFFPTGOORIP-BQYQJAHWSA-N 432.944 5.446 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OCc3ccccc3)c(OC)c2)c(OC)c1 1874632992 GQCRQJPWMQVLFY-FMIVXFBMSA-N 438.907 5.841 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1Cl 1874637056 GLQBBXSMLCPDPM-IZZDOVSWSA-N 431.290 6.616 30 10 IKEE CCOc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(Cl)cc3Cl)c2)cc1 1874695477 DJYRVFQSAZHCTQ-AWNIVKPZSA-N 441.310 6.507 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OC(=O)c2[nH]c3ccc(C)cc3c2C)c1 1874704270 GAGLPJIVOQBRIV-ZRDIBKRKSA-N 439.511 6.217 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1OC(=O)c1ccccc1OC 1874707022 KWBUFBRKYFMGOK-JQIJEIRASA-N 438.479 5.972 30 10 IKEE C=CCN(CC=C)CCC(=O)c1ccc(OC(=O)[C@H](C)Oc2ccc(C(C)C)cc2)cc1 1874744468 DSDXLPDZMJCMRA-NRFANRHFSA-N 435.564 5.430 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)c(F)c3)c(Cl)c2)cc1 1875100061 LWBFITQRPNGBJM-VZUCSPMQSA-N 426.846 6.296 30 10 IKEE C[C@H](C(=O)Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1[N+](=O)[O-])c1ccccc1 1875113201 AUIKAWZQFWLZSG-BYIUCRAPSA-N 435.863 5.853 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OC(=O)c1ccc(F)cc1F 1875127406 CHWGIWPASCESDI-JXMROGBWSA-N 428.818 5.742 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2Cl)c1 1875131970 YAKHBHBSRINFGJ-XYOKQWHBSA-N 448.946 6.400 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)Cc1ccc(F)cc1 1875132360 QFLDZQYMZPBTNG-KPKJPENVSA-N 438.882 5.840 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N1CCCCC1)n2CCCC 1875212256 SDBSOOZIEBNFSO-UHFFFAOYSA-N 441.664 6.410 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCC)c2c(F)cc(C)cc2Br)C1 1892683547 BHSCWFMDWWUGNE-KRWDZBQOSA-N 427.358 5.161 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)NCCC 2003578647 ZWDDTZTYIQRPOB-SMIHKQSGSA-N 430.633 5.601 30 10 IKEE CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2014633578 CVRFENZGEIGUEE-CYFREDJKSA-N 429.561 5.356 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@H](C#N)[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2017960065 ZNKYPRSLIFPLPG-WMZOPIPTSA-N 449.617 5.413 30 10 IKEE O=C(C=Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)c1ccc(F)cc1 2040454907 JQBLNSVBPHSPCQ-UHFFFAOYSA-N 447.307 6.337 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCCN(Cc3ccccc3)C2)cc1 2050134156 SVRKKGMPCHMLKF-SANMLTNESA-N 435.568 5.385 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)c(Cl)c1F 2063099016 NQHCZJWSNPGFNT-CZUORRHYSA-N 435.765 5.362 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NC)C12C[C@H]3C[C@@H](CC(NC(=O)OC(C)(C)C)(C3)C1)C2 2066111621 SCTZUDADDACJPY-TXSQHLRZSA-N 440.628 5.211 30 10 IKEE CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2067958515 SJCRREDOTVVNBU-NTKDMRAZSA-N 447.551 5.495 30 10 IKEE Oc1nc2ccc(N=Cc3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)cc2[nH]1 2069855014 MHZHYILAQPSWAL-UHFFFAOYSA-N 449.510 6.177 30 10 IKEE COc1ccc([C@H](n2nc(C(F)(F)F)c(C#N)c2Br)C(C)(C)C)cc1C 2080005528 GYAKAAWFGFCVSU-HNNXBMFYSA-N 430.268 5.489 30 10 IKEE CCCOc1ccc([C@@H](n2nc(C3CCC3)c(C#N)c2Br)C2(C)CC2)cc1 2080069212 NQPCAJALYYONEE-HXUWFJFHSA-N 428.374 5.963 30 10 IKEE CCCOc1ccc([C@H](n2nc(C3(C)CC3)c(C#N)c2Br)C(C)(C)C)cc1 2080069343 PHSYFBLDEWQQNV-IBGZPJMESA-N 430.390 5.993 30 10 IKEE CCOc1ccc([C@@H](C2CCC2)n2nc(C(F)(F)F)c(C=NO)c2Br)cc1 2080114589 VZOSUTQUQRDFHN-OAHLLOKOSA-N 446.267 5.261 30 10 IKEE Fc1cc(C(F)(F)F)ccc1-c1c(C2CCC2)nn(C(F)(F)F)c1Br 2080751644 SPPVVFUOCOREPT-UHFFFAOYSA-N 431.149 6.214 30 10 IKEE CCc1cc(Br)c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2C)s1 2089744462 XQPFHUQSBQJKDN-QGZVFWFLSA-N 435.387 6.388 30 10 IKEE CN(CCN(Cc1ccccc1)[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1C#N)Cc1ccccc1 2095947571 PSNAWFSVQHBOIZ-IDZRBWSNSA-N 437.631 6.097 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1ccc(Cl)cc1Br 2124447230 HEBRIJMBCFAPHA-HNNXBMFYSA-N 444.757 5.018 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(Nc3cccc(Br)c3C#N)CCCCC[C@@H]12 2162340941 CWGJPSLRHYNXNQ-NQIIRXRSSA-N 434.378 5.445 30 10 IKEE CC[C@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1c1cc(Cl)c(C#N)cc1F 2177391835 WAGLWFRJSJOGCK-RBUKOAKNSA-N 429.923 5.367 30 10 IKEE C=C(Cl)C[C@@H](NCCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229124361 SESPMYKTEZUHAF-QZTJIDSGSA-N 445.829 5.396 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCC12CC(F)(F)C2 2230728582 QDCFTGSXPYZJNB-GOSISDBHSA-N 427.289 5.662 30 10 IKEE CCc1ccc(C#C[C@@H](O)c2cc(NC(=O)OC(C)(C)C)ccc2Br)cc1 2239649984 MSURIRQAUWTUPJ-HXUWFJFHSA-N 430.342 5.444 30 10 IKEE CCCCCCCCC[C@H](N)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248454055 OWZJIQDHMQWBCF-QHCPKHFHSA-N 432.649 5.908 30 10 IKEE CC1(C)OB(c2cccc(Nc3c(Cl)cc(Cl)cc3Br)n2)OC1(C)C 2266758520 KDBCQBBHXUWHGB-UHFFFAOYSA-N 443.965 5.194 30 10 IKEE CC(C)(C)OC(=O)NCc1cccc(Cl)c1Nc1ccc(C#N)c(Br)c1 2269434304 OGOOANYXFYYIPP-UHFFFAOYSA-N 436.737 5.742 30 10 IKEE COc1cc(O)ccc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2282820438 TYIGYNWIZFZGLC-KRWDZBQOSA-N 433.302 5.170 30 10 IKEE CC1(C)CC[C@H](Nc2c(Br)cccc2C#N)[C@H](CNC(=O)OC(C)(C)C)C1 2285178463 FPWMYEAWXDDNOQ-RDJZCZTQSA-N 436.394 5.452 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](CNc2c(Br)cccc2C#N)[C@@H]2CCCC[C@@H]21 2285188403 QNECIKVEPWZTNW-BQFCYCMXSA-N 434.378 5.158 30 10 IKEE O=C1NC(=Nc2ccccc2)SC1=Cc1ccc(OC(=O)c2ccccc2Cl)cc1 2297303411 JHESMKBRSVCFND-UHFFFAOYSA-N 434.904 5.451 30 10 IKEE C=CCOc1ccc(C=C2S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc1Br 2297533641 AMFZFKFGBQGKPC-NRFANRHFSA-N 445.382 5.176 30 10 IKEE CCCCN1C(=O)C(=C2Sc3ccc(OC)cc3N2C)SC1=Nc1ccc(C)cc1 2297707826 PARCEWYDERHZNB-UHFFFAOYSA-N 439.606 5.778 30 10 IKEE CCCCCCN1C(=O)C(=O)C(=C(O)c2ccccc2)[C@H]1c1ccc(Br)cc1 2297741358 DAAUOTKSHYACPX-HXUWFJFHSA-N 442.353 5.451 30 10 IKEE CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2299161837 OSEOASWZYXFCBE-ZWKOTPCHSA-N 433.524 5.105 30 10 IKEE CC(C)(C)OC(=O)N[C@]1(C)C[C@H]2CC[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)C1CCC1 2307591335 LTSIZLVJDPSCQN-GVAOLFSASA-N 433.593 5.142 30 10 IKEE C=CCn1c(SCC(=O)OCC=Cc2ccccc2)nnc1C12CC3CC(CC(C3)C1)C2 2314006444 UOAFCHLYYAOINR-UHFFFAOYSA-N 449.620 5.281 30 10 IKEE CCN[C@@H](C#Cc1ccc(C(F)F)nc1)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 2317960591 WYLBKRSFEVTNNM-NRFANRHFSA-N 443.538 5.176 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1cccc2ccccc12 2321048210 YFYWJKCWJGDBRR-UHFFFAOYSA-N 441.387 6.475 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Br)ccc2OCC(=O)OCC(C)C)cc1 2322586282 WCTYZUWVGVOVNI-UHFFFAOYSA-N 431.326 5.232 30 10 IKEE CCCOC(=O)COc1c(C=CC(=O)c2ccc(C(C)C)cc2)cc(Cl)cc1OC 2322736682 CRVFIXLWANKMEE-UHFFFAOYSA-N 430.928 5.700 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OC(=O)Cc4ccc(F)cc4)cc(C)c3C2=O)cc1 2323229934 PLKNXXXHGLKUPT-UHFFFAOYSA-N 432.447 5.297 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(=O)CC4CCCCC4)cc(C)c3C2=O)c1OC 2323485541 VSBUEVUFQJIVIG-UHFFFAOYSA-N 436.504 5.504 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1 2323628538 YGEWCJOWWCLOIQ-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE COc1cc(C=NNc2nc(-c3ccccc3OC)cs2)ccc1OCc1ccccc1 2323840508 LRFVHNSGSIOUQH-UHFFFAOYSA-N 445.544 5.852 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccc(C)c(Cl)c4)ccc3C2=O)o1 2324352060 DDUOIIGDYKNGIP-HNNXBMFYSA-N 437.879 5.572 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)ccc1OCc1ccccc1 2324688369 YVXRPXLZLASOFI-UHFFFAOYSA-N 438.523 6.722 30 10 IKEE Cc1c(OCCOc2ccc(C(C)(C)C)cc2)ccc2c1OC(=Cc1ccncc1)C2=O 2324690280 AWEWOPRXDZNVSF-UHFFFAOYSA-N 429.516 5.762 30 10 IKEE CCOc1ccccc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccccc1)C2=O 2324895220 CYMZROGOIGJDOJ-UHFFFAOYSA-N 429.472 5.027 30 10 IKEE CC(=O)c1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1 2324982562 LLEHYZBEFMFNSC-UHFFFAOYSA-N 447.874 5.176 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccc(OCC)c(OCC)c1 2325547177 HMRMBKVEWGLVBF-UHFFFAOYSA-N 438.597 5.511 30 10 IKEE COc1cccc(COc2ccc3c(c2C)OC(=Cc2c(Cl)cccc2Cl)C3=O)c1 2325699568 AOAGBNVTHWJMTA-UHFFFAOYSA-N 441.310 6.506 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4C(C)C)cc(C)c3C2=O)o1 2325726716 VIWNVOUFDLOPEH-UHFFFAOYSA-N 431.488 5.654 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)[C@H]3C[C@H]3c3ccccc3Cl)c2)c(C)c1 2325736446 AMFURCYVNMEUID-ZEQRLZLVSA-N 430.931 6.562 30 10 IKEE Cc1ccccc1CCC(=O)Oc1cccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)c1 2325737371 BSMKDCIZFBMDEU-UHFFFAOYSA-N 439.338 6.736 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC(=O)Cc2ccc(C)cc2)c1 2325752469 AKOSYRYFYFMLQU-UHFFFAOYSA-N 442.555 6.345 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC(=O)c2ccc(F)cc2F)c1 2325765905 KKHHVAQLPPEOEO-UHFFFAOYSA-N 434.482 6.686 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cncc(C)c3)c2)cc1Cl 2325767790 DTQIZNIGCOGUNV-UHFFFAOYSA-N 437.879 5.176 30 10 IKEE C=C(C)CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1cccs1 2326130690 SYYLKRQPKIXWFD-UHFFFAOYSA-N 433.002 5.739 30 10 IKEE CCOc1cc(C=Nn2cnnc2SCc2ccc(C)cc2)cc(Cl)c1OC(C)C 2326287274 DHDJBARBYNRFGF-UHFFFAOYSA-N 444.988 5.600 30 10 IKEE CCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1cc(Br)ccc1O 2326405994 VLICZCJFNNDXGF-UHFFFAOYSA-N 445.386 5.100 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1c(C)[nH]c2ccccc12 2326477433 PMCNLGZVZXAHDT-UHFFFAOYSA-N 438.000 6.238 30 10 IKEE C=CCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc(O)c(OC)c1 2326618528 GUGYQPATJNFRAC-UHFFFAOYSA-N 444.560 5.091 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccc(OCCC)cc1 2327593176 WBAQMMRQLOAMGQ-UHFFFAOYSA-N 442.972 5.460 30 10 IKEE CCCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(OCC)cc1 2327779311 VEWAQOKUHRIBDL-UHFFFAOYSA-N 430.577 5.805 30 10 IKEE CCCSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1ccc(Cl)c(Cl)c1 2328568837 DFDMFZKTHCPXLT-UHFFFAOYSA-N 449.407 5.959 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccc(C)cc3C)n2N=Cc2cccnc2)cc1 2328877217 QKOFEIMEZKETER-UHFFFAOYSA-N 443.576 5.352 30 10 IKEE Clc1ccccc1CSc1nnc(COCc2ccccc2)n1N=Cc1ccccn1 2329348101 SYAKYZYBPDKXMF-UHFFFAOYSA-N 449.967 5.218 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2ccc(O)c(O)c2)cc1C 2329423868 MIDPYFXORMFXIB-UHFFFAOYSA-N 444.560 5.071 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2cccc(F)c2)n1N=Cc1cccnc1 2329478075 MHYIDVROSPROML-UHFFFAOYSA-N 431.540 5.080 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2F)n1N=Cc1cccc(F)c1 2329487233 DKGAATZRFGNPSJ-UHFFFAOYSA-N 448.542 5.824 30 10 IKEE C=C(C)CSc1nnc(CCc2cccs2)n1N=Cc1cccc(Br)c1 2329663513 MOISEUXAGDCRFK-UHFFFAOYSA-N 447.427 5.438 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2ccccc2)n1N=Cc1ccccc1Cl 2329741212 DGLIJTMCMQFSSV-UHFFFAOYSA-N 436.943 5.836 30 10 IKEE Cc1ccc(C=Nn2c(COc3ccccc3)nnc2SCc2ccc(Cl)cc2)cc1 2329921339 FTHHBHROOSQQKI-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2330047347 TWTNEUZWJOTZAD-GOSISDBHSA-N 442.544 5.253 30 10 IKEE CCc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccccc2C)cc1 2330164836 HSHCWPDAOKGNEF-UHFFFAOYSA-N 440.616 6.109 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1 2330653708 WXBIWZMYPGMCLA-UHFFFAOYSA-N 429.505 5.336 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)[C@H]3C[C@H]3c3ccccc3Cl)cc2)c1 2330777245 SYMJNQKVSGPMFR-GOTSBHOMSA-N 432.903 5.954 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc(F)c2)n1N=Cc1c(F)cccc1Cl 2330824652 JBGRRCPJIHVXQD-UHFFFAOYSA-N 434.943 5.973 30 10 IKEE Cc1ccc(CSc2nnc([C@H]3CCCO3)n2N=Cc2ccccc2OC(C)C)cc1 2330889729 YBUJJNLAWAVNEN-JOCHJYFZSA-N 436.581 5.400 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Cl)c(OC(=O)c2ccccc2F)c(OC)c1 2331049763 RAMINZJDEJDJPE-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OC(=O)c1ccc(CC)cc1 2331101312 QYSIBAVRMNWKMC-UHFFFAOYSA-N 436.454 6.041 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cc(Cl)ccc2Cl)c([N+](=O)[O-])c1)c1ccccc1 2331170284 XGWZTBRQQVERMY-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccco3)n2N=Cc2ccccn2)c(Cl)c1 2331225663 KQVKXFVIDOHGPW-UHFFFAOYSA-N 430.320 5.414 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)Cc1cccs1 2331286570 LNMMYSXLPAOJNQ-UHFFFAOYSA-N 432.541 5.838 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc(Cl)c2)n1N=Cc1cccc2ccccc12 2331410885 NKEKACLMLDQHPU-UHFFFAOYSA-N 434.996 6.557 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc(C=CC(=O)c2ccc(F)cc2)cc1Br 2331523209 HXAQLOVAPHTNTA-UHFFFAOYSA-N 445.328 6.360 30 10 IKEE Clc1cccc(CSc2nnc(C3CCC3)n2N=Cc2ccc3c(c2)OCCO3)c1 2331541756 OADPKZMBKAJTQX-UHFFFAOYSA-N 440.956 5.145 30 10 IKEE CCCc1nnc(SCc2ccccc2C)n1N=Cc1c(OC)ccc2ccccc12 2331633369 QNGMGWJNIBNEGS-UHFFFAOYSA-N 430.577 5.875 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)CCCSC 2331653749 GZDPUZWEIDGQQV-UHFFFAOYSA-N 440.605 6.264 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cc(OC)c(OC(=O)CC(C)C)c(OC)c2)cc1C 2331836493 NMLKYRDOURZJQI-UHFFFAOYSA-N 426.509 5.177 30 10 IKEE Cc1cc(NC(=O)OC(C)(C)C)cc(C)c1Oc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2341199423 SPGLXADMPXXCQL-UHFFFAOYSA-N 440.349 5.137 30 10 IKEE CC(C)(C)OC(=O)N[C@@]1(C)C[C@H]2CC[C@H]1C[C@H]2Nc1ccc(Br)c(C#N)c1 2380854240 DQIXPHASKXSJRO-UOUNVNTQSA-N 434.378 5.205 30 10 IKEE Brc1ccc2nc(N/N=C/c3ccc4c(c3)OCO4)cc(-c3ccccc3)c2c1 8959022 CBMCCKSOFJHHMX-DHRITJCHSA-N 446.304 5.839 30 10 IKEE N#CCCN1C(=O)COc2ccc(-c3cc(-c4ccccc4)cc(-c4ccc(F)cc4)n3)cc21 19862869 BOUOPPAKJVJOBB-UHFFFAOYSA-N 449.485 5.861 30 10 IKEE COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)cc1OC 21249519 ITWBWAOUNDDYKG-XRHLQHRESA-N 444.506 5.822 30 10 IKEE CC(C)(C)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 21253243 QATBZXMNFOSKTJ-WXTAPIANSA-N 428.601 7.025 30 10 IKEE O=C(/N=C1/N=C2C=CC(Br)=CN2Cc2ccccc21)c1cc2ccccc2o1 23907901 JFXQORZHSVIAOP-NJNXFGOHSA-N 432.277 5.040 30 10 IKEE O=C1N/C(=N/c2ccccc2)S/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 27471626 HZXBTISGCZQUBM-WQRHYEAKSA-N 425.853 5.400 30 10 IKEE CCCn1cc(CN/C(=N/C(=O)c2ccc(C)c(C)c2)Nc2ccc(C(C)C)cc2)c(C)n1 32972916 BFOLTIQERCYDHP-UHFFFAOYSA-N 445.611 5.740 30 10 IKEE CN(c1ccccc1)c1ccc(/C=C\C(=O)c2cccc(Br)c2)cc1[N+](=O)[O-] 33614748 KYCAUWPEFHRGQC-QBFSEMIESA-N 437.293 6.021 30 10 IKEE C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OCCC)cc3)=C(O)C(=O)N2CCCC)c1 40078266 IZLWGHRCNYNFEW-XMMPIXPASA-N 449.547 5.419 30 10 IKEE CCOC(=O)/C(=N\Nc1ccccc1C)Sc1nc2ccccc2n1-c1ccccc1 59121524 PQLFQYFCHSCAOO-HPNDGRJYSA-N 430.533 5.415 30 10 IKEE Cc1ccc(C)n1-c1ccc(/N=C/c2cc(Br)c(N3CCOCC3)o2)cc1 59248237 FVVLWYRXVMYWRV-OEAKJJBVSA-N 428.330 5.037 30 10 IKEE CCCCCCCCCCCCCCCCCCOC(=O)C[C@](O)(CC(=O)O)C(=O)O 60248718 REVZBRXEBPWDRA-XMMPIXPASA-N 444.609 5.472 30 10 IKEE endogenous,in-man CCCCCCCCCCCCCCCCCCCC1=C(OC)C(=O)C(C)=C(OC)C1=O 100166954 LWUFLFCSIAGKGD-UHFFFAOYSA-N 448.688 8.001 30 10 IKEE CCN1C(=O)/C(=C/c2cccc(OCc3ccc(C)cc3)c2)S/C1=N/c1cccc(C)n1 101125511 CKIWGVHDONVVLV-GTNDZFBQSA-N 443.572 5.901 30 10 IKEE CCCCCCCCCn1c([C@@H]2CC(=O)N(c3ccc(C)cc3C)C2)nc2ccccc21 102200458 HDKREGHQJJLJPL-HSZRJFAPSA-N 431.624 6.924 30 10 IKEE COc1ccc2nc(N(Cc3ccccc3)C(=O)[C@@H](C)Oc3cccc(C#N)c3)sc2c1 108987387 OPEZZMXMYCDYJY-QGZVFWFLSA-N 443.528 5.177 30 10 IKEE CCCCCCCCN1C(=O)/C(=C\C2=Cc3cccc(OC)c3O[C@@H]2C)SC1=S 110900104 LLCQCHZZOQGXRA-MURKYSCBSA-N 431.623 5.964 30 10 IKEE CC(C)(O)[C@@H]1CC[C@]2(C=O)[C@H](CC[C@@]3(C)[C@H]2CC[C@H]2Cc4c([nH]c5ccccc45)[C@@]23C)O1 137274597 AYNSNFZADBZRGD-QEXKWOBCSA-N 435.608 5.312 30 10 IKEE in-vitro CCOc1cc(/C=N/Nc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1Cl 169878962 HDRFRPOWDZMAOG-LGJNPRDNSA-N 433.310 6.556 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2ccc(OC)cc2)cc1 169923454 VCRBZLDNCGAPRY-DEOSSOPVSA-N 443.499 5.049 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2ccc(C)cc2)c1 169934723 CHXQHSCGRYZFMO-AREMUKBSSA-N 449.506 5.940 30 10 IKEE Clc1ccc(COc2cccc(/C=N\Nc3nc(-c4cccs4)cs3)c2)cc1 169943368 GQLGBRROLYLWCF-FMCGGJTJSA-N 425.966 6.550 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@H]1c1cccc(C)c1 169967397 GHUOJGQLZDWLSJ-AREMUKBSSA-N 441.527 5.101 30 10 IKEE Cc1cccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2cc(C)ccc2O)c1 169971059 TXGLJYHECHLIES-VWLOTQADSA-N 427.500 5.111 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccnc2)cc1 170002766 CMQQZZHKMSBWDS-JOCHJYFZSA-N 432.907 5.641 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccccc2)c1 170036389 BDXLRNWCCYNMNL-QHCPKHFHSA-N 431.463 5.316 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccco2)cc1Cl 170092059 DFNFNWRBYQFDMP-OAQYLSRUSA-N 448.862 5.206 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cc(C)cc(C)c3OC)=C(O)C(=O)N2C2CCCCC2)cc1 170114680 CLAASIJZVTXXEX-QHCPKHFHSA-N 449.547 5.232 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccc1OC 170125763 DKPUGPMQFBLWCI-XMMPIXPASA-N 429.516 5.617 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@@H]1c1ccc(O)cc1 170137303 RPRDFIAGVGALRN-NRFANRHFSA-N 443.927 5.213 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 170142307 COZHGAQNTUIYES-XMMPIXPASA-N 433.467 5.131 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@H]1c1cccc(C)c1 170146663 SRFYVTNXOAWCJW-OAQYLSRUSA-N 427.928 5.426 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2cccs2)c1 170159872 FKQRSUXXBSVVRG-JOCHJYFZSA-N 449.528 5.328 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@H]1c1ccc(Cl)cc1 170236295 WXJIQHDOIUGTDP-GOSISDBHSA-N 448.744 5.399 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(Cl)cc2)cc1C 170237130 QHSZXSGGJROMLK-QFIPXVFZSA-N 439.939 5.568 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1ccc(C(C)C)cc1 170245632 JGWMUFINBRXABH-XMMPIXPASA-N 433.592 6.404 30 10 IKEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(F)c4)[C@H]3c3ccccc3F)ccc2O1 170248005 NTKIUXUAJFLVIG-FATZIPQQSA-N 447.437 5.071 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccc(O)c2)cc1 170258541 YOZZSJBRPCIPGO-XMMPIXPASA-N 443.499 5.272 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccco2)cc1C(C)(C)C 170286175 UIZUEJCXEIYJHE-JOCHJYFZSA-N 431.488 5.369 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(Cl)c3)[C@@H]2c2ccco2)cc1 170287632 UWWWWRLUEURVDB-IBGZPJMESA-N 428.271 5.678 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cc4cc(Cl)ccc4o3)=C(O)C(=O)N2Cc2ccccn2)o1 170307434 ZAJHYFLPMFJNIH-OAQYLSRUSA-N 448.862 5.161 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1c1ccccc1O 170314566 BRZYOIQFDPJZQQ-HXUWFJFHSA-N 431.469 5.291 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1cccc(OC(C)=O)c1 170321421 LGDZXXBDZYHRKR-HSZRJFAPSA-N 449.547 5.206 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1cccc2ccccc12)c1ccccc1 170369521 WMRJZTVIHHQPBM-DEOSSOPVSA-N 441.433 5.901 30 10 IKEE Cc1[nH]c2ccccc2c1[C@@H]1C(C(=O)c2ccco2)=C(O)C(=O)N1c1cccc(Cl)c1 170404964 OIPDPFGWARSLOB-OAQYLSRUSA-N 432.863 5.506 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc(OCc3ccccc3)cc2)[C@@H]1c1ccccn1 170478708 RKYJUTDOPKILHA-HSZRJFAPSA-N 442.515 5.176 30 10 IKEE CCCCCOc1ccc(C(=O)Oc2ccc(/C=C/C=C\C=NN3CCCCC3)cc2)cc1 254304351 YVUPLOJJQTYWCI-QGQVPFPLSA-N 446.591 6.516 30 10 IKEE COc1ccc(/N=C2/S/C(=C\c3ccc(Cl)cc3)C(=O)N2[C@H](C)c2ccccc2)cc1 255961460 BTNUFIUQQYFFJK-LKJDOWSRSA-N 448.975 6.714 30 10 IKEE CC1(C)OB(c2cc(F)ccc2COc2ccc(OCc3ccccc3)cc2)OC1(C)C 303246282 QJHYZLNSJKGERN-UHFFFAOYSA-N 434.316 5.283 30 10 IKEE FC(F)(F)c1ccc(-c2cnc(C(F)(F)F)cc2-c2ccc(C(F)(F)F)cc2)cc1 514257143 NCBNIFBQIHNBIR-UHFFFAOYSA-N 435.289 7.472 30 10 IKEE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@H]1c1cccc(F)c1 526492674 YVXMEROINMIYNA-QHCPKHFHSA-N 444.462 5.162 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccc(Cl)c2)c1OC 526523208 WDIKKOAYPXYWAI-JOCHJYFZSA-N 446.890 5.286 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1ccc(Cl)c(Cl)c1 526805939 VYKXZCRUCAQZCV-CFRMEGHHSA-N 433.408 6.410 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1cccc(OC(C)C)c1 526807072 GCHSBXLPTNQGMT-OYKKKHCWSA-N 428.989 5.846 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1ccc(OC)c(OC(C)C)c1 526807802 GGDUCTARGXSVFB-MYYYXRDXSA-N 438.597 5.509 30 10 IKEE CCCCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1/N=C\c1cccs1 526830886 CPPIGMJLANLDIU-MTJSOVHGSA-N 432.571 5.015 30 10 IKEE C[C@@H](COCc1ccccc1)COc1ccc2cc(B3OC(C)(C)C(C)(C)O3)ccc2c1 719159902 OVFAFXBJVVINOB-FQEVSTJZSA-N 432.369 5.371 30 10 IKEE Cc1nc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)sc1Br 719322434 QDGVKRPSPUWIEO-CYBMUJFWSA-N 426.311 5.360 30 10 IKEE Cc1noc(C)c1/C(O)=C(/C(=S)Nc1ccccc1C#N)[n+]1ccc(C(C)(C)C)cc1 773935498 GOORDHJHBWSWMR-UHFFFAOYSA-O 433.557 5.071 30 10 IKEE CO/N=C(/C)[C@@H]1/C(=N/OC)C[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C 1076405105 KLCZPBNZZJGNRW-INOFBQRASA-N 432.605 5.212 30 10 IKEE C[C@@H]1CC(=Nc2cc(Cl)ccc2Cl)c2cc(F)ccc2N1C(=O)c1ccc(F)cc1 1088681030 GMPRAPYNKXSONB-CYBMUJFWSA-N 445.296 6.831 30 10 IKEE O=C1NC(=NN=Cc2ccco2)S/C1=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 1772724045 CRDCGMBGLIAIAQ-FNSVBNHISA-N 432.288 5.440 30 10 IKEE Cc1ccc(-c2csc3nc(-c4cccnc4)n(Cc4cccc(C#N)c4)c(=O)c23)c(C)c1 1857803891 MNMNDILYFYHYQT-UHFFFAOYSA-N 448.551 5.724 30 10 IKEE C[C@H]1CCc2c(sc3nc(-c4c(F)cccc4F)n(Cc4cccc(C#N)c4)c(=O)c23)C1 1857804980 UHQYBUSVUXTZHI-AWEZNQCLSA-N 447.510 5.448 30 10 IKEE N#Cc1ccc(NC(=O)c2nn(Cc3ccccc3)c(-c3ccc(Cl)cc3)c2Cl)cc1 1859389650 NBIOATLVKBANKT-UHFFFAOYSA-N 447.325 6.029 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCSC)NC(=O)Cc1c[nH]c2ccccc12 1861388674 MJQLZXZJAAFCRF-QHCPKHFHSA-N 445.673 5.205 30 10 IKEE CCCCCCCCNC(=O)[C@H](CC)NC(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1 1861428856 SVCQCXGMMDEQGH-NRFANRHFSA-N 434.584 5.215 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)c1ccc(OCC(C)C)cc1 1861770046 CUUDIBIXMVWICK-DEOSSOPVSA-N 432.649 5.877 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(CCCC)cc3)=C(O)C(=O)N2CC)cc1 1862400206 YGFVJGRINUTFIG-RUZDIDTESA-N 449.591 6.196 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@@H]2c2ccccc2C)c1 1862411746 OBACRLARDZHEOC-DEOSSOPVSA-N 447.481 5.669 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862435668 BLUZHBHFHDIJRZ-FQEVSTJZSA-N 442.899 5.407 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(OCC)c1 1862447162 JVJJVEUIIVFSBP-JOCHJYFZSA-N 441.955 5.897 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2cccc3ccccc23)cc1 1862480971 SZDVRMRLNZLJQZ-DCFHFQCYSA-N 447.534 6.488 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862481724 FTBQSPSDPLRVOW-NRFANRHFSA-N 446.374 6.460 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccc(C)cc2)cc1 1862489269 TWGUUYTXGBTEKR-VWLOTQADSA-N 441.527 5.399 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(OCC)cc1 1862492959 DUFBZBFOZMZNDF-XMMPIXPASA-N 435.564 5.861 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cccc(OCCC)c1 1862495016 JIXAXMPZOILUPD-RUZDIDTESA-N 449.591 6.251 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)c1 1862501968 OOXZTDDKTRJFAG-BXKMTCNYSA-N 445.490 5.482 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccccc2C)ccc1F 1862506761 ARURNXLKDWRJGG-XMMPIXPASA-N 435.539 6.134 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(C(C)(C)C)cc1 1862549556 RIPIJKDSQMMRIZ-CJAUYULYSA-N 445.603 6.240 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2cccc3ccccc23)c1 1862560602 GUBMZRCSRBUFOJ-AREMUKBSSA-N 448.522 5.509 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 1862622598 LXDFJKMYEFHMPC-LJQANCHMSA-N 432.347 5.889 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccccc2C)cc1F 1862638451 BEANWGZXMAEFBK-MZNJEOGPSA-N 445.490 5.482 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(O)c2)cc1 1862674308 LVMOISQRLBDPPA-GYCJOSAFSA-N 445.490 5.433 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862690611 CEUKDHNKARWVIV-XYURVEJXSA-N 447.575 5.976 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C(C)(C)C)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862897493 QDRIOEDUARMRFQ-UHFFFAOYSA-N 435.527 5.561 30 10 IKEE Cc1cc(C2=C(Nc3ccc(F)c(Cl)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)ccc1F 1863092767 DHCLLHVRFDGAMZ-UHFFFAOYSA-N 449.844 5.195 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1nnc(C(CC)CC)s1 1866032585 PZECNJSRNJAGQQ-UHFFFAOYSA-N 437.738 8.642 30 10 IKEE CC(C)c1cc(C(=O)Nc2c(C#N)c(-c3ccccc3F)nn2C)c2cc(Cl)ccc2n1 1866281392 RNUQBFTXCLCAOB-UHFFFAOYSA-N 447.901 5.675 30 10 IKEE Cc1ccc([C@H](C(=O)N[C@H](C(=O)Nc2cccc(C#N)c2)c2ccccc2)C(C)C)cc1 1866960244 NJOBUDVDNMRLQK-RPBOFIJWSA-N 425.532 5.103 30 10 IKEE CC(C)c1nc(Nc2ccc(C#N)cc2)cc(N2C[C@H](C)O[C@H](c3ccc(F)cc3)C2)n1 1868242748 QRADNDCZZDOOBM-JTSKRJEESA-N 431.515 5.321 30 10 IKEE COCCc1nc(Nc2ccccc2C#N)cc(N2CCc3ccccc3[C@H]2C(C)C)n1 1868262524 XFJGSEWHRBXLDW-AREMUKBSSA-N 427.552 5.041 30 10 IKEE CCCCCCCCn1cc(OCCOc2ccccc2)c(=O)cc1CN(C)CCCC 1870600257 JRMFRLJGQBEBTQ-UHFFFAOYSA-N 442.644 5.899 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCC)c(=O)cc1CNc1cc(C)cc(C)c1 1871147404 AYRZYRRDJAWYJQ-UHFFFAOYSA-N 442.600 5.380 30 10 IKEE Cc1nc(-c2ccc(Oc3ccc(Cl)cc3)cc2)sc1C(=O)Nc1cccc(C#N)c1 1871278363 YDVAIFDSNYJFKW-UHFFFAOYSA-N 445.931 6.688 30 10 IKEE CCCCC[C@@H](CC)N1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(N(C)C)cc1)C3=O 1871347817 XXBJOQUAFPEFJL-FFAHCDIZSA-N 448.607 6.188 30 10 IKEE Cc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(C12CC4CC(CC(C4)C1)C2)C3 1871354206 KNERSGIRIUORFI-GATIEOLUSA-N 441.571 6.040 30 10 IKEE Cc1c(OC(=O)Cc2cc(Cl)ccc2Cl)ccc2c1O/C(=C\c1ccccc1)C2=O 1871376457 LNYWSBHGTDQAAO-NHDPSOOVSA-N 439.294 6.066 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2C)C3=O)cc1 1871389264 NCCLEQALZTXRSJ-HAHDFKILSA-N 442.467 5.454 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCc3cccc(C(=O)OC)c3)cc(C)c2C1=O 1871417149 FAXGDERSPXRDNU-OYKKKHCWSA-N 444.483 5.376 30 10 IKEE C=CCN=c1nc(N(CCCC)CCCCCC)[nH]c(=Nc2cccc(C(C)(C)C)c2)[nH]1 1871639778 FZHSGOYJZGPGQC-UHFFFAOYSA-N 438.664 5.541 30 10 IKEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1871792029 LHOOXDFNOQOJLU-LJQANCHMSA-N 449.016 5.168 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)CCCC 1872355800 SHNQKGOPCFIWDZ-IBGZPJMESA-N 448.551 5.067 30 10 IKEE Cc1cc(OCC(=O)[C@H](C#N)c2nc(-c3cccc4ccccc34)cs2)ccc1Cl 1872774793 CACBJVMIKSYHNJ-FQEVSTJZSA-N 432.932 6.180 30 10 IKEE C=CCN(CC=C)C(=O)c1ccc2nc(SCc3ccc(Cl)cc3Cl)[nH]c2c1 1872816811 VUQGHGVMSCXCCJ-UHFFFAOYSA-N 432.376 5.976 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2C)C(=O)N(CCCCN(CC)CC)C1=O 1873104290 SMWZEOKZTOXLJE-UHFFFAOYSA-N 441.660 5.147 30 10 IKEE CCC(CC)c1nnc(S)n1/N=C/c1ccc(OCc2cccc(Cl)c2)c(OC)c1 1873502559 OPUPOMYNFASHMC-ZMOGYAJESA-N 444.988 5.594 30 10 IKEE CC(C)(C)C1CCC(CC(=O)Nc2cccc(C#N)c2)(N2Cc3ccccc3C2=O)CC1 1873866415 GQEUOUCVNZVHNP-UHFFFAOYSA-N 429.564 5.518 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)C12CCCC2 1873936715 OTTYRGJFUHYVNV-VWLOTQADSA-N 440.672 6.452 30 10 IKEE CSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1cc(Cl)ccc1O 1874205002 DZJLAKTYKSWWIN-ODCIPOBUSA-N 443.743 5.127 30 10 IKEE CCCCC1CCC(c2nnc(SCC(=O)OCCC)n2/N=C/c2cccnc2)CC1 1874287062 LZNUQGNITKFWAB-PCLIKHOPSA-N 443.617 5.065 30 10 IKEE COc1ccc(CCc2nnc(SCc3ccccc3)n2/N=C/c2sccc2C)cc1 1874305738 MVITXWFAZVAQFR-PCLIKHOPSA-N 448.617 5.616 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccc(F)cc3)n2/N=C/c2cccn2C)c(C)c1 1874325885 MXMFGFCUPJXAST-VULFUBBASA-N 449.555 5.126 30 10 IKEE Clc1ccccc1CSc1nnc(COCc2ccccc2)n1/N=C/c1ccc[nH]1 1874355719 XTVFGAJIFJFYCK-DHRITJCHSA-N 437.956 5.151 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccccc2C)cc1C 1874357524 MEWTWWIVEWFXLS-LQKURTRISA-N 444.579 6.108 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccco1 1874377098 FHKRMFCSKYOJOR-BRJLIKDPSA-N 444.894 5.568 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2/N=C/c2ccccn2)cc1 1874390346 IOPMJXOHLNHMDX-CVKSISIWSA-N 433.968 5.400 30 10 IKEE C=C(C)CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1ccc(Br)cc1 1874395902 YDBIBBQRXYPMMV-DXRSZSRVSA-N 441.398 5.743 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCCC)cc1OC 1874409310 PYPXSZIZWLRNMX-XIEYBQDHSA-N 444.645 5.973 30 10 IKEE CCCOc1ccccc1/C=N/n1c(Cc2cccs2)nnc1SCc1ccccc1 1874412133 DJDRRRJVPYVOGD-KOEQRZSOSA-N 448.617 5.894 30 10 IKEE C=CCSc1nnc(-c2cccs2)n1/N=C/c1ccc(OCCCCC)c(OC)c1 1874422897 KIJPTBIHAIAJRY-XQNSMLJCSA-N 442.610 5.745 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CCCC2)c1 1874455841 NGTGRAMNCOFKPW-MFKUBSTISA-N 441.000 6.162 30 10 IKEE Fc1ccccc1CSc1nnc(C(F)(F)F)n1/N=C/c1ccc(Cl)cc1Cl 1874461545 SMLVAAQXPXYBAW-KTZMUZOWSA-N 449.260 5.917 30 10 IKEE O=[N+]([O-])c1ccccc1/C=N/n1c(SCc2cccc(Cl)c2)nnc1C(F)(F)F 1874462895 JRCBCWGEPDYOFN-LSFURLLWSA-N 441.822 5.033 30 10 IKEE CCOc1cc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CCC2)ccc1O 1874495955 NIQFFVZLKAPAOI-ZMOGYAJESA-N 442.972 5.478 30 10 IKEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3ccc(C)cc3C)nnc2C2CCC2)c1 1874498382 GBYAIMZYHFFKIV-AFUMVMLFSA-N 433.581 5.084 30 10 IKEE COc1cc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CC2)ccc1O 1874522810 MGBJYZLIJFCESD-AUEPDCJTSA-N 449.363 5.351 30 10 IKEE CCc1nnc(SCCc2ccccc2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874526648 YQLWSGJCGKJYRO-ZXVVBBHZSA-N 442.588 5.637 30 10 IKEE Cc1ccc(COc2ccc(/C=N/n3cnnc3SCc3cccc(F)c3)cc2)cc1 1874537989 IJBQDGWKDAPOIC-MZJWZYIUSA-N 432.524 5.479 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCc3ccccc3F)ccc3ccccc23)c(OC)c1 1874588005 PGOZKNFMSCJVCM-CCEZHUSRSA-N 442.486 6.471 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OCC(=O)Nc1cc(C)ccc1C 1874596435 VVVLHNAZBVNRSV-YRNVUSSQSA-N 447.506 5.673 30 10 IKEE O=C(/C=C/c1ccc(OCc2nc(O)c3ccccc3n2)cc1)c1ccc2ccccc2c1 1874602239 BGUYZFLIKJJVQC-LFIBNONCSA-N 432.479 5.964 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OCc3ccccc3F)c(Br)c2)c1 1874605472 QDMZATPNKLURDJ-PKNBQFBNSA-N 441.296 6.072 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(Cl)c1OCc1cccc(C)c1 1874605652 YPKZZWHHSJGAOF-VAWYXSNFSA-N 436.935 6.531 30 10 IKEE C=CCOc1c(Br)cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1OC 1874606535 TVGOPSYIHZEXRM-QPJJXVBHSA-N 442.136 6.225 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OCc1ccc(F)cc1 1874626514 IRVQVIMCJQDAJB-MDWZMJQESA-N 434.507 6.325 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OC(=O)c1ccccc1[N+](=O)[O-] 1874699115 DZUKQTVRPOPARE-PKNBQFBNSA-N 437.835 5.372 30 10 IKEE O=C(Oc1cccc(/C=C/C(=O)c2cccc3ccccc23)c1)c1c(F)cccc1Cl 1874708360 YQGADIYIGZWQND-CCEZHUSRSA-N 430.862 6.748 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC(=O)CCCSC)c1 1874709647 MLBWFJLQZFPWNA-ACCUITESSA-N 426.578 5.937 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OC(=O)c1cc2ccccc2n1C 1874710034 PNLLUFJJHBQJNC-NTUHNPAUSA-N 429.447 5.441 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4ccccc4c3)cc2[N+](=O)[O-])cc1 1875095247 HIVUXCFYDPSIQL-RIYZIHGNSA-N 437.451 6.172 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1 1875097092 VKMWQZUEBPLPOI-SFQUDFHCSA-N 426.512 5.618 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3ccc(C)cc3)c(OC)c2)c1 1875101122 KSCLXEDOHDKTOD-FMIVXFBMSA-N 436.891 5.781 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c(OC)c2)cc1 1875102039 WYCPYDOATOMCFN-NTUHNPAUSA-N 445.471 5.590 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3)c(Br)c2)c1 1875102570 XQVZBPAQFKVGOG-ZRDIBKRKSA-N 437.289 5.573 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC(=O)C1CCCC1 1875116332 WPYZTEQZBMSJFV-NTEUORMPSA-N 435.476 5.324 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Br)c2)ccc1OC(=O)c1ccccc1 1875118009 ZUIJTIPUSZVMAX-ZRDIBKRKSA-N 437.289 5.573 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)cc3)c(Cl)c2)cc1 1875129538 HPWOCJZHKVYYGB-RIYZIHGNSA-N 434.919 6.091 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccco3)c(Br)c2)c1 1875139673 UTXPWWNLGCJOMF-VQHVLOKHSA-N 425.278 5.774 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3cc(F)ccc3F)cc2)cc1 1875156110 KSMZNOKRZZTWLQ-LHHJGKSTSA-N 436.454 5.969 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)CCCSC 1875157200 SAMCEVXGXMNQHQ-RIYZIHGNSA-N 426.578 6.153 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1 1875165069 OZSKLWISXSKUAK-DEDYPNTBSA-N 440.539 7.251 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OCC(C)C)cc3)cc2)c(C)c1 1875182551 JCRMEJCRAAUXCE-OVCLIPMQSA-N 442.555 6.762 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1OC 1875188445 WMCKVAHZDNRHHC-VQHVLOKHSA-N 437.319 6.002 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc(OC)c1OC(=O)C1CCC1 1875189144 BCGMSBIWKXRWMZ-RMKNXTFCSA-N 435.303 5.612 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@](C)(C#N)[C@]1(C)CCN1C(=O)OC(C)(C)C 1999897941 QXIJICRKMKQWCL-XZOQPEGZSA-N 433.524 5.249 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)C1(NC(=O)OC(C)(C)C)CC(C2CCC2)C1 2001888415 JDLHUMZPNRNLCM-VVCJCJSVSA-N 428.617 5.211 30 10 IKEE CCCCCCCCCNC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1 2026327004 RZUPOEPNWMQEDM-XMMPIXPASA-N 431.665 5.448 30 10 IKEE CCCN[C@@H](CC#CC1CC1)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2041905561 JGURMOZGVVQRAN-IGKIAQTJSA-N 440.628 5.002 30 10 IKEE C=CCCCCCCNCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071252402 OGUUWBNLRPGHEK-UHFFFAOYSA-N 429.604 7.071 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)C[C@@H]1C1CCC1 2073794330 KBZFKSIOYZBKLE-NLFFAJNJSA-N 447.620 5.628 30 10 IKEE Cc1cc(C)c([C@H](n2nc(C3CC3)c(C#N)c2I)C(C)(C)C)cc1C 2078983745 ISWAQUPESLHCLG-IBGZPJMESA-N 447.364 5.798 30 10 IKEE CC[C@@H](c1ccc(C)c(F)c1)n1nc(C2CCC2)c(/C=N/O)c1I 2079137770 DFVFPUNDLUJEMG-CTJICSLTSA-N 441.288 5.010 30 10 IKEE CC(C)(C)c1nn([C@H](c2ccc(C(F)(F)F)cc2)C2CC2)c(Br)c1C#N 2079894632 IBNSWJSCPAURAR-HNNXBMFYSA-N 426.280 5.833 30 10 IKEE Cc1cc(O)c([C@H](n2nc(C(F)(F)F)c(C#N)c2Br)C(C)(C)C)cc1C 2080042975 NXWWWNGJFFMSAB-HNNXBMFYSA-N 430.268 5.494 30 10 IKEE [N-]=[N+]=Nc1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c(F)c1 2081067028 TZVBHAFUUAYUCO-JOCHJYFZSA-N 446.438 5.302 30 10 IKEE CC(C)c1c(C(F)(F)F)nn2c(Cl)cc(-c3c(F)cccc3C(F)(F)F)nc12 2081248009 NLGDIMFXDRRULT-UHFFFAOYSA-N 425.735 6.350 30 10 IKEE C=CCN(C[C@@H](NCCC)c1c(Cl)ccc(Br)c1F)C(=O)OC(C)(C)C 2122143047 NFNADWADZNLGRI-OAHLLOKOSA-N 449.792 5.705 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1nc(C(C)C)[nH]c1Br 2143946032 FAYIQCCVFXGRHM-LSDHHAIUSA-N 443.430 5.196 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@H]2Nc1cc(Br)cc(C#N)c1 2162413119 HYKBDUAZSSNJGV-IBGZPJMESA-N 428.330 5.767 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1Br 2181046976 MPTNKQMKUVEOAN-UHFFFAOYSA-N 430.302 5.114 30 10 IKEE CCCCCCCCCC[S@](=O)C(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O 2195275759 BGCJDJAGLPHJMA-KEEVHDRGSA-N 439.618 5.034 30 10 IKEE C=CCC[C@H](C)[C@@H](NC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229111080 HOOPUPGBJHZBBP-ZYSHUDEJSA-N 425.411 5.075 30 10 IKEE C=CCC[C@@H](COc1ncc(C(F)(F)F)cc1Br)NC(=O)OC(C)(C)C 2232220765 WQMXMKFPDZHBFD-LBPRGKRZSA-N 439.272 5.101 30 10 IKEE CCCCCC#CC[C@H](NC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248459170 UYVFAABIZVNUSE-QHCPKHFHSA-N 428.617 5.002 30 10 IKEE Cc1c(Br)sc([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)c1C 2265882350 POWWBKNRQSKMLR-INIZCTEOSA-N 441.435 6.652 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2sc(Br)c(C)c2C)cc1 2265884310 PUNRTNXNLHEBSP-MRXNPFEDSA-N 435.387 6.442 30 10 IKEE C=CCCC1(C(=O)c2ccc(Br)c(F)c2F)CN(C(=O)OC(C)(C)C)C1 2266279645 SXNWGYJHENFBDD-UHFFFAOYSA-N 430.289 5.113 30 10 IKEE CC(C)(C)OC(=O)N1CCCC(Nc2cc(Br)cc(F)c2C#N)CCC1 2269159114 UHRZUTNHDYPSIB-UHFFFAOYSA-N 426.330 5.051 30 10 IKEE COc1ccccc1C=CC(=O)c1cc(Cl)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2296760896 RQAYOPCVMZJAMY-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE O=C1C(=O)N(c2ccc(F)cc2)[C@@H](c2cccc(F)c2)C1=C(O)c1ccc(Cl)cc1 2297060130 DNOPMMFDKDKMMA-FQEVSTJZSA-N 425.818 5.245 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@]1(C#N)C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 2297237335 JNRVZOJJFKPSKB-AALWMKDKSA-N 432.564 5.701 30 10 IKEE C=CCC(CC=C)[C@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2301037464 PRMZASSDWNWVNY-OYDLWJJNSA-N 430.633 5.622 30 10 IKEE CC1=NN(c2ccccc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)c(C(=O)OCC#N)c2)o1 2313548659 BJNJHAPEWFDBJL-UHFFFAOYSA-N 445.862 5.086 30 10 IKEE Cc1ccc(COc2cccc(C=C3SC(=Nc4cccnc4Cl)N(C)C3=O)c2)cc1 2314540183 KRTRUILYMWROQJ-UHFFFAOYSA-N 449.963 5.856 30 10 IKEE Clc1ccc(COc2ccc(C=Nn3cnnc3SCCc3ccccc3)cc2)cc1 2321286809 RLOCPPURHWBLJC-UHFFFAOYSA-N 448.979 5.728 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccccc1Cl)O3)CN(CCC1=CCCCC1)CO2 2322107146 NZXHFTQZLUZDDO-UHFFFAOYSA-N 435.951 6.307 30 10 IKEE CCc1ccc(NC(=O)COc2c(C=CC(=O)c3ccccc3Cl)cccc2OC)cc1 2322437073 APVIQAFUJDHPGC-UHFFFAOYSA-N 449.934 5.825 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2cccc(Cl)c2)c1OCc1ccc(C)cc1 2322525055 TVDXJWZIACBVPD-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE O=c1c(Cl)c(NN=Cc2c(Cl)cccc2Cl)cnn1-c1ccccc1Cl 2322624067 BTTISOCJNMNMQD-UHFFFAOYSA-N 428.106 5.292 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1F 2322708319 PLCCDMFCWFBMNC-UHFFFAOYSA-N 430.450 6.602 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2c(Cl)cccc2Cl)cc1C 2322899803 XJPQJQVLLPGLTK-UHFFFAOYSA-N 445.773 7.739 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cccc(OC)c1OCc1ccccc1C 2322926670 AUFQYMGOUDLUHW-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1Cl 2322974847 SRBBBKCDDMSETH-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE O=C(COc1cccc(C=CC(=O)c2ccc(Br)cc2)c1)NC1CCCCC1 2323086038 MFMIPJWCJQFIHV-UHFFFAOYSA-N 442.353 5.173 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OCC(=O)N[C@H](C)c1ccccc1 2323168595 LKZULYNURUBLNY-LJQANCHMSA-N 447.506 5.295 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OCC(=O)Nc1ccccc1C 2323168929 OFMGJESCXJBZIS-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE CC(C)(Oc1ccc(Cl)cc1)C(=O)Oc1ccc2c(c1)OC(=Cc1ccncc1)C2=O 2323702440 CXSSXXLJELHSGU-UHFFFAOYSA-N 435.863 5.114 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(OC)cc2)C3=O)cc1 2323791140 QXQQILWDCHXAQR-UHFFFAOYSA-N 430.456 5.238 30 10 IKEE CCCOc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C)cc2)C3=O)c1 2323831856 LEDAZBSSXCTQTG-UHFFFAOYSA-N 428.484 5.928 30 10 IKEE CCN(Cc1ccccc1)c1ccc(C=NNc2nc(-c3ccc(OC)cc3)cs2)cc1 2323852202 RKIADBBNPLVNFZ-UHFFFAOYSA-N 442.588 6.291 30 10 IKEE CCCOc1c(OC)cc(C=NNc2nc(-c3ccc(C)cc3C)cs2)cc1OC 2323874399 PZHPHQRYBOYOEX-UHFFFAOYSA-N 425.554 5.679 30 10 IKEE O=C1C(=Cc2ccccc2Br)Oc2cc(OCCOc3ccccc3)ccc21 2324220085 LGIDEAOQCDDMSA-UHFFFAOYSA-N 437.289 5.523 30 10 IKEE CC(C)c1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 2324331732 RDSWNQNYGPDSDN-AREMUKBSSA-N 448.591 7.490 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OCc2cc(C)ccc2C)c(Cl)c1 2324366154 UGIQERFVPHBVJC-UHFFFAOYSA-N 434.963 7.057 30 10 IKEE C[C@H](Oc1ccc2c(c1)OC(=Cc1cccs1)C2=O)C(=O)Nc1ccc(Cl)cc1 2324609861 XTFSVPWFAOCWSG-ZDUSSCGKSA-N 425.893 5.424 30 10 IKEE Cc1cc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc(F)cc3F)c2)ccc1Cl 2325726011 OCPLTIHYYLCXSJ-UHFFFAOYSA-N 442.845 5.807 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1cccc(C=CC(=O)c2ccc3c(c2)OCO3)c1 2325747412 SFDANMQCAAJYLE-UHFFFAOYSA-N 436.847 5.193 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2ccc(F)cc2)cc1OC(=O)c1ccco1 2325751157 WRWVMRGTKPPIDB-UHFFFAOYSA-N 445.240 5.305 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(F)cc3)c2)c1 2325758124 FKSJIEOTQCSCNH-UHFFFAOYSA-N 448.490 5.667 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2cccc(OC(=O)c3ccc(C)c(C)c3)c2)c1 2325758329 YOOZNAWSZPIJCE-UHFFFAOYSA-N 444.527 6.216 30 10 IKEE CCCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccc(Cl)cc1 2326145959 QFWYDVNLQFAUSL-UHFFFAOYSA-N 449.407 6.165 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1cn(CC)c2ccccc12 2326601005 SUMGUISKAPMRTK-UHFFFAOYSA-N 431.609 5.997 30 10 IKEE CCCCc1nnc(SCc2cccc(C(=O)OC)c2)n1N=Cc1ccccc1Cl 2326766498 PLXVRHDZLRYVGO-UHFFFAOYSA-N 442.972 5.235 30 10 IKEE CSc1nnc(COc2ccccc2)n1N=Cc1cccc(OCc2ccccc2)c1 2329869120 KRXKNLQKIMVNOO-UHFFFAOYSA-N 430.533 5.040 30 10 IKEE Fc1cccc(CSc2nnc(Cc3cccs3)n2N=Cc2ccccc2Cl)c1 2330358441 BIBVUBYOLOJBQP-UHFFFAOYSA-N 442.972 5.897 30 10 IKEE CCOc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2C)cc1 2330459053 DWTNEIZRHIQWJE-UHFFFAOYSA-N 442.588 5.751 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)[C@H](C)CC 2330589419 MRPQJSJWEIDQIY-YKSBVNFPSA-N 445.604 5.396 30 10 IKEE Cc1ccsc1C=Nn1c(SCc2cccc(Cl)c2)nnc1-c1cccs1 2330603928 UGXUIMCIKLVADK-UHFFFAOYSA-N 431.011 6.204 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCSC)c(Cl)c2)cc1OC 2330718704 QKBDCXBKRFHXPQ-UHFFFAOYSA-N 434.941 5.302 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(C3CCCC3)n2N=Cc2ccc(F)cc2F)cc1 2331049666 BYOZTVGTXFNPFB-UHFFFAOYSA-N 443.479 5.297 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)c1cccc2ccccc12 2331183225 FGFAUFPURWBHCM-UHFFFAOYSA-N 448.518 6.692 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3Cl)c([N+](=O)[O-])c2)c(C)c1 2331225607 YMZLRNGTCVTAGY-UHFFFAOYSA-N 435.863 5.980 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3c(C)cccc3C)cc2)cc1 2331295787 DQUXJVNNTHDZEV-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2cc(OC)ccc2OC)cc1OC 2331394631 DXFSVJFXLFBOFY-UHFFFAOYSA-N 426.509 5.484 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1Cl 2331416178 SMWZJRVDRFJCDY-UHFFFAOYSA-N 448.946 6.761 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(CC(C)C)nnc2SCCc2ccccc2)cc1 2331456676 ROPSENNIEPURFR-UHFFFAOYSA-N 435.641 5.540 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)c1ccc(F)cc1 2331539613 VAVOLMBYVWXZRY-UHFFFAOYSA-N 434.438 5.817 30 10 IKEE Cc1cccc(C=Nn2c(SCC(=O)Nc3ccc(C)cc3C)nnc2C2CCC2)c1 2331545215 GBYAIMZYHFFKIV-UHFFFAOYSA-N 433.581 5.084 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cc(Cl)c(OC(=O)C(C)C)c(OC)c2)cc1C(C)C 2331571662 SORLOWGRXIVJFF-UHFFFAOYSA-N 444.955 6.247 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)c(C)c3)cc2)c(C)c1C 2331611924 BKPCSPRKMNWNDJ-UHFFFAOYSA-N 432.491 5.804 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)ccc1OC(=O)C(C)C 2331639586 XWPAJPHELQQQKP-UHFFFAOYSA-N 437.319 5.858 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)cc2)cc1C 2331643633 KPAJBWLYJNTCEQ-UHFFFAOYSA-N 442.555 6.418 30 10 IKEE COC(=O)c1nc(-c2ccc(C)cc2)oc1NN=Cc1cccc(OCc2ccccc2)c1 2331937704 SHFHZZIIZZBDPN-UHFFFAOYSA-N 441.487 5.462 30 10 IKEE COC1(C#CC(=O)c2cc(Br)cc(NC(=O)OC(C)(C)C)c2)CCCCC1 2363729746 HZEKIDQCUNQZNM-UHFFFAOYSA-N 436.346 5.332 30 10 IKEE CC1(C)OB(c2ccc(COc3cc(Cl)ccc3Br)c(F)c2)OC1(C)C 2369095412 ZZOIWNOIFDZHOC-UHFFFAOYSA-N 441.533 5.120 30 10 IKEE Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3F)C(C#N)(C#N)[C@@H]3C=Cc4ccccc4N23)cc1 20071672 ORDAQYJPJNSNSJ-NXCFDTQHSA-N 433.486 5.418 30 10 IKEE C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)S/C1=N\c1ccc(Cl)cc1 20161093 PZUUMDLVERTDDA-DJUDNFEDSA-N 434.348 5.140 30 10 IKEE Cc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/N=C/c1c(C(F)(F)F)nn(C)c1Cl 20615360 PCABFJHFGNOOSK-KVSWJAHQSA-N 435.921 6.619 30 10 IKEE CCc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OC(C)C)c(OC)c2)C3)cc1 20881744 CKPJQPLAVSDZTM-SFTDATJTSA-N 433.548 5.049 30 10 IKEE COc1ccc(OC)c([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(Cl)c(Cl)c2)C3)c1 20881919 XMPLSVCWDUKDQP-XJKSGUPXSA-N 446.330 5.015 30 10 IKEE CSc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc1 21228743 PDMRNOXTEQDRIM-MRDQGFSESA-N 447.003 7.041 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)c2ccc(Cl)cc2)cc1OC 33721513 RGMAHYZLFCSNQQ-UVTDQMKNSA-N 444.918 6.106 30 10 IKEE COC(=O)c1ccc(COc2cc(C)c3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1 41502104 AQGUTLKBJPSNPL-QFEZKATASA-N 442.511 6.100 30 10 IKEE CC[C@@H](C)c1ccc(N/C(=N\C(=O)c2cc(OC)cc(OC)c2)NCc2ccncc2)cc1 45940306 YZGUTVVOQRALER-GOSISDBHSA-N 446.551 5.010 30 10 IKEE CCOc1cc(-c2ccc(F)cc2)nc2ccc(NS(=O)(=O)c3ccc(C#N)cc3)cc12 65114713 DNCQJXBRGFJBCE-UHFFFAOYSA-N 447.491 5.112 30 10 IKEE Cc1cccc(C)c1/N=C1/S[C@@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1C1CC1 89686867 ZKQOYYSKIQLWCJ-CWHQOTMQSA-N 443.572 5.579 30 10 IKEE O=C1N/C(=N/c2ccc(Cl)cc2Br)S/C1=C/c1cc(Cl)ccc1O 96576946 HGQKWBZYWULULP-MKMNVTDBSA-N 444.137 5.353 30 10 IKEE CCCCCCCCCCCCCC(=O)Nc1cccc(C(=O)NCc2ccccc2)c1 100442642 GRZHLLPFHTTXSY-UHFFFAOYSA-N 436.640 7.256 30 10 IKEE CCCCCCCCCCCCCCCCCCNC(=S)NC1=CCS(=O)(=O)C1 100851464 MOIZWXCDRZFTDK-UHFFFAOYSA-N 444.751 6.024 30 10 IKEE CCC(=N/Nc1cccc(C(F)(F)F)c1)/C(CC)=N\Nc1cccc(C(F)(F)F)c1 102927682 NMJGTMPKXBHQCK-LZUTUTKMSA-N 430.396 6.780 30 10 IKEE CCCN1C(=S)N[C@H](c2ccccc2OCc2ccc(Cl)cc2)C(C(C)=O)=C1C 169930177 OUNGDIRTWADKOO-JOCHJYFZSA-N 428.985 5.423 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccc2OC)cc1 169946230 VNGQNYNSZOLYIU-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CCC)cc1 169976096 MOXNVPIEFMAGFA-HSZRJFAPSA-N 437.536 5.253 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(OC(C)C)cc1 169979131 ATMTVPPKSULFHW-QHCPKHFHSA-N 435.520 5.003 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cccs1 169982534 ILMZALBNNXMUFN-JOCHJYFZSA-N 433.529 5.152 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccncc2)c1 170025544 OKZZZUZCPYJWKZ-DEOSSOPVSA-N 438.483 5.223 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(O)c(Cl)c1)c1c[nH]c2ccccc12 170040591 MDUPMYKZBLXIFQ-JOCHJYFZSA-N 444.874 5.310 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2cccs2)c1 170157208 DPKADFVYBHADET-JOCHJYFZSA-N 449.528 5.271 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccs2)cc1 170161159 XCVGGLXQISIVPM-QFIPXVFZSA-N 444.512 5.191 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@H]1c1ccncc1 170211271 SWIFYKJZEXUKNI-HXUWFJFHSA-N 447.560 5.282 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc2ccccc12 170220876 ILCGGDIECJYUOU-AREMUKBSSA-N 435.523 6.371 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccccc2)cc1OC 170223705 VDMCUUYHPHIENL-XMMPIXPASA-N 443.499 5.104 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccccc2)cc1C 170225101 IPMUJBDGMKOLCB-RUZDIDTESA-N 441.527 5.874 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1Cc1cccs1 170269890 ADHKTUJRYDRVHV-DEOSSOPVSA-N 439.536 5.988 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccco2)cc1 170280985 JKWQMJZUPJWDJX-HSZRJFAPSA-N 427.456 5.932 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccco2)ccc1Cl 170285826 QHUIJZHCMRESOS-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccco2)cc1 170292681 RDOZLJHXAIQLGH-QHCPKHFHSA-N 446.503 5.022 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(C)o1 170297913 RPXSNWSAPCFLKO-LJQANCHMSA-N 443.908 5.090 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2c2ccc(F)cc2)o1 170299710 YOSBPKFZXQZOOV-LJQANCHMSA-N 446.261 5.817 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2OC)[C@@H]1c1c(C)[nH]c2ccccc12 170311952 YHQRALGKCLLXGX-QHCPKHFHSA-N 432.520 5.172 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1ccc(OC(C)=O)cc1 170320562 HWSOTFDVQYNDLW-HSZRJFAPSA-N 449.547 5.206 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1)c1cccs1 170377329 KYSBCSKKBPQTHW-SFHVURJKSA-N 447.409 5.689 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2F)cc1Cl 170381072 APJMAGSOJUVFBQ-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2c(C)[nH]c3ccccc23)c1 170403411 RMQHEERVBLILHX-QHCPKHFHSA-N 426.472 5.469 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1sccc1C)N2 226668000 KXWPJCHNTNUVFP-DXIQSLLYSA-N 426.607 5.246 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1)N2 226714802 PJGBRVXGHDSQQC-ZFGGDYGUSA-N 440.996 5.529 30 10 IKEE COc1cc(OC)c(C=Nc2ccccc2C(=O)Nc2ccccc2)cc1Br 252463072 YQQCBNKRCOUEET-UHFFFAOYSA-N 439.309 5.469 30 10 IKEE CCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(c2ccccc2)C1=O 252618610 LIPNXQLBCIZNOH-QFIPXVFZSA-N 445.544 5.250 30 10 IKEE C=CCn1c(SCCCCOC(=O)c2ccccc2)nnc1-c1cccc(Cl)c1 253565202 HKRWWQJCOQGMNH-UHFFFAOYSA-N 427.957 5.514 30 10 IKEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(Cl)cccc1Br 407517379 MNCHJFDUSSQJKT-NVXWUHKLSA-N 429.786 5.060 30 10 IKEE CSc1nc(O)c(C(=O)N2CCC(=Cc3cc(Cl)ccc3Cl)CC2)cc1C#N 479456343 UZCHPODPPKSSLY-UHFFFAOYSA-N 434.348 5.007 30 10 IKEE Cc1ccsc1[C@H]1C(c2ccc(Cl)cc2Cl)=C(O)C(=O)N1c1ccc(C#N)cc1 526489423 IMKBGPVICGJROW-LJQANCHMSA-N 441.339 6.292 30 10 IKEE Cc1ccc([C@H]2C(c3cccc(OCC(C)C)c3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526489611 WTSWUQVNSUHNDS-SANMLTNESA-N 438.527 5.959 30 10 IKEE COc1ccccc1[C@H]1C(c2cccc3ccccc23)=C(O)C(=O)N1c1cccc(C#N)c1 526518795 BPSZARRFQATISH-SANMLTNESA-N 432.479 5.777 30 10 IKEE Cc1ccc(NC2=C(Sc3ccc(C)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 526640175 VBCRGIKTJGVVSX-UHFFFAOYSA-N 425.513 5.164 30 10 IKEE Cc1ccc(SC2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cccc(C)c3)C2=O)cc1 526661537 NXPBTBMBXMSMRX-UHFFFAOYSA-N 425.513 5.164 30 10 IKEE COc1ccc(/C=N\n2cnnc2SCc2ccccc2)cc1OCc1ccc(C)cc1 526799620 ILTHZPKSMVJGDD-DICXZTSXSA-N 444.560 5.349 30 10 IKEE COc1ccccc1/C=N\n1c(CCc2ccccc2)nnc1SCc1cccc(C)c1 526809152 VVSUDSQBBOCTEE-IMRQLAEWSA-N 442.588 5.555 30 10 IKEE CCCOc1ccccc1/C=N\n1c(CCC)nnc1SCc1c(F)cccc1Cl 526818146 SQQCCOHKZDOAJR-QFEZKATASA-N 446.979 5.986 30 10 IKEE N#Cc1ccccc1NC(=O)c1cccc(NC(=O)NCc2cccc(C(F)(F)F)c2)c1 586635570 YUMZHDKBOKCXQN-UHFFFAOYSA-N 438.409 5.151 30 10 IKEE CCN(CC)c1ccc(/C=C2\C[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]3(C)C2=O)cc1 606630310 YBEKPIMBAMWIIE-HIXHEGJMSA-N 429.604 6.357 30 10 IKEE COc1nsc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(C)c2)c1Br 690141152 WMMKXLDGOQSEAS-CYBMUJFWSA-N 438.347 5.229 30 10 IKEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@H](C#N)c1cccc(Br)c1Cl 706530953 SDQOLSDBPIFMPD-LLVKDONJSA-N 427.648 5.467 30 10 IKEE COc1ccccc1CNN=Cc1c(OCc2cccc(Cl)c2)ccc2ccccc12 1084099718 YIMVLYQFCYYUIB-UHFFFAOYSA-N 430.935 6.205 30 10 IKEE CCN(CC)c1ccc(C=NNc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 1084244687 KSRLKOSWUQHTNA-UHFFFAOYSA-N 426.589 6.769 30 10 IKEE CCOC(=O)[C@@]1(C#N)C(=O)/C(=C/C=C\c2ccccc2)SC1=Nc1ccccc1Cl 1088727159 PJNZJNXJYJYYTC-JMEVPANISA-N 436.920 5.356 30 10 IKEE C=CC(C)(C)CCCNC(=O)CCSCc1nc(O)c2c3c(sc2n1)CCCC3 1651414728 YSXCBZRDDFCZRW-UHFFFAOYSA-N 433.643 5.008 30 10 IKEE Cc1csc(N=C2S/C(=C/C=C/c3ccccc3[N+](=O)[O-])C(=O)N2c2ccccc2)n1 1772737141 KIUBIQYZVUGXOV-YXLGWCQESA-N 448.529 5.725 30 10 IKEE Cn1cc(/C=C2/SC(=Nc3ccncc3Cl)N(c3ccccc3)C2=O)c2ccccc21 1772737365 ORKHZBOWAPJUPT-VXWJBAAHSA-N 444.947 6.035 30 10 IKEE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1C(=NNc1ccccc1)CCC2 1772751201 XCWGRGSOOKYFJI-UHFFFAOYSA-N 428.319 6.300 30 10 IKEE N#Cc1ccc(COc2cccnc2NC(=O)NC(c2ccccc2)c2ccccc2)cc1 1858809721 BLSQSSLNWUVIEQ-UHFFFAOYSA-N 434.499 5.443 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(C)cc1 1861101784 ZPYADQLSYFXIGT-BDMVNMLNSA-N 448.651 5.993 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](CCCC)NC(=O)c1ccc2nc(-c3cccc(C)c3)[nH]c2c1 1862098547 NQOPCDRHCKSESE-QHCPKHFHSA-N 444.579 5.028 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc3c(c2)CCCC3)n(Cc2ccc(C)cc2)n1 1862359422 VWZXIHHGEPPEQD-UHFFFAOYSA-N 425.576 5.600 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@@H]2c2ccccc2)c1 1862413181 XOMGPPLVDAEHQU-QHCPKHFHSA-N 433.454 5.360 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc(C)c1 1862429418 MKZBMKGOAGUAFV-JOCHJYFZSA-N 441.955 5.434 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(OC)cc1 1862431391 GIVBMUQKLLUJDG-OAQYLSRUSA-N 427.928 5.507 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(C)cc1 1862464843 HHKRQBXYSHOARC-LIRRHRJNSA-N 428.326 5.134 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccccc2F)ccc1F 1862501725 IXHJITUEKDMMGU-ZFGLAFRWSA-N 425.475 5.430 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccccc2F)cc1 1862529372 FIGVTVOILNLEDG-DEOSSOPVSA-N 433.523 5.857 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2Cc2ccco2)cc1 1862543200 ANDQFTCNAUJCNL-DEOSSOPVSA-N 427.500 5.245 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1cccc(F)c1 1862571220 HTBQVYDYENLPAY-JOCHJYFZSA-N 441.499 5.002 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc2cc[nH]c2c1 1862616098 QPDKWSGQOQJLAG-HJPURHCSSA-N 430.548 5.842 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccc(Cl)cc2)c1 1862700496 HXMRAIBVHLFPCZ-HJPURHCSSA-N 447.918 5.688 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCCO)cc1 1862720212 SPAOJOPPYCNNCZ-DEOSSOPVSA-N 443.543 5.098 30 10 IKEE COc1ccccc1N1C(=O)C(Nc2ccccc2C#N)=C(c2cccc3ccccc23)C1=O 1862845723 CCYZYSMAOBYVJF-UHFFFAOYSA-N 445.478 5.117 30 10 IKEE Cc1ccccc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2cccc3ccccc23)C1=O 1862849515 RRWVQMJDJISRDZ-UHFFFAOYSA-N 429.479 5.417 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(Cl)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1C 1862879517 SGFJQAWLWDZZOA-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CC(C)c1ccc(NC2=C(c3ccc(F)cc3F)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862946380 KRKHORBGFUJUTJ-UHFFFAOYSA-N 443.453 5.356 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C)c2C)=C(c2ccc(Cl)cc2)C1=O 1863168261 RVPDQSHRWIAUJO-UHFFFAOYSA-N 438.999 6.509 30 10 IKEE CCCCCCCCNC1=C(c2cccc3ccccc23)C(=O)N(CCCOCC)C1=O 1863583383 XELBXZYDTDLLOX-UHFFFAOYSA-N 436.596 5.296 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCOCC)=C(c2ccc(C)cc2)C1=O 1863619520 AJWQABSRBJEQFN-UHFFFAOYSA-N 428.617 5.232 30 10 IKEE C=CCOc1ccccc1OCC(=O)Oc1ccc(Br)cc1C(F)(F)F 1865771699 NOFFEYCNLHXWHI-UHFFFAOYSA-N 431.204 5.017 30 10 IKEE N#Cc1nnn(Cc2c(Cl)cccc2Cl)c1NC(=O)CC12CC3CC(CC(C3)C1)C2 1870107246 ZSBXDNPFPKAPTE-UHFFFAOYSA-N 444.366 5.050 30 10 IKEE Cc1cc(Cl)ccc1-n1nnc(C#N)c1NC(=O)[C@H](Cc1ccccc1)c1ccccc1 1870147888 LLTBVIIQGRTEFC-OAQYLSRUSA-N 441.922 5.066 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2F)c(=O)cc1CN1CCCCCC1 1870342510 XXBCUBOUUGPQBX-UHFFFAOYSA-N 442.619 6.303 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2)c(CNc2cc(C)ccc2C)cc1=O 1870833219 DCVSPTSZHHEWJH-UHFFFAOYSA-N 432.608 6.475 30 10 IKEE CCCCCCCOc1cn(CCN(CC)CC)c(CNc2ccc(C)cc2C)cc1=O 1870837608 OVKGXHBOUYVXJC-UHFFFAOYSA-N 441.660 5.768 30 10 IKEE C=CCn1cc(OCc2c(C)cccc2C)c(=O)cc1CNc1ccc(Cl)c(Cl)c1 1870920907 ZQDSTJQAIIDZPV-UHFFFAOYSA-N 443.374 6.149 30 10 IKEE C=CCn1cc(OCCOc2ccc(C)cc2)c(=O)cc1CNc1ccc(Cl)cc1C 1871213133 NCAYTOLPDNOFNY-UHFFFAOYSA-N 438.955 5.374 30 10 IKEE CCOc1ccc(CC(=O)Oc2cc(C)c3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871374363 HAOASXRAAOXBKJ-MCBOVYRESA-N 440.495 5.714 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OC(=O)Cc3cccc4ccccc34)c2C)C1=O 1871376819 ZXVPMTQLOHQTKV-QQXSKIMKSA-N 434.491 6.221 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OC(=O)c4cc5ccccc5oc4=O)cc(C)c3C2=O)c1 1871379844 YNSPFISWBYRFBW-FMCGGJTJSA-N 438.435 5.245 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OCCc4ccccc4)c3C)C2=O)c(OC)c1OC 1871400287 UHYNFXVYIWSZNS-KQWNVCNZSA-N 446.499 5.259 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(O[C@H](C)C(=O)Nc4ccccc4C)c3C)C2=O)cc1 1871408704 GBMZIKAMTHPHIK-YPFLROGLSA-N 427.500 5.634 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2cccs2)C3=O)c1 1871412483 SRLGATWWQQKBFU-RIWZNOJBSA-N 433.529 5.696 30 10 IKEE CCc1ccc(OCCCOc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871413320 YIFNVQUQFOXSJL-XYGWBWBKSA-N 434.919 6.367 30 10 IKEE Cc1cc(OCc2ccc(C(=O)OC(C)C)cc2)cc2c1C(=O)/C(=C/c1ccc(F)cc1)O2 1871415138 UICHZUAWGYVXRQ-CFRMEGHHSA-N 446.474 5.895 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccc(C(C)C)cc3)ccc2C1=O 1871435504 OLTVHJPCWGUVHG-QFEZKATASA-N 427.500 5.752 30 10 IKEE Cc1ccc(CCOc2cc(C)c3c(c2)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)cc1 1871437512 DAYQPLCMWBAQRT-ONUIUJJFSA-N 426.556 6.839 30 10 IKEE CCCCc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccco2)C3=O)cc1 1871455373 OZIKBQCBLCBGHZ-HAHDFKILSA-N 431.488 5.564 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4CC)ccc3C2=O)cc1 1871458394 IIDSHHOFUJBJDB-MYYYXRDXSA-N 443.499 5.281 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1872252724 VRNPMASYSAXJOZ-HSZRJFAPSA-N 442.625 5.294 30 10 IKEE Cc1sc(C2=C(N)N(c3ccc(Cl)cc3Cl)CC2=O)nc1-c1ccc(F)cc1 1872725871 AMXXJVQBIUNJCL-UHFFFAOYSA-N 434.323 5.281 30 10 IKEE CC(C)COc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)c1 1872760120 HTOTUTOOADZCRG-QHCPKHFHSA-N 430.573 6.214 30 10 IKEE COc1ccc(OC)c(CC(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)c1 1872760631 UENPHBRPSINHEZ-NRFANRHFSA-N 432.545 5.125 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1F 1872775599 VEYYADNZGKISLV-CYBMUJFWSA-N 431.832 5.009 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)C23CC4CC(CC(C4)C2)C3)n1 1872777131 HCSVOLVMFJOXED-ARRIVPFNSA-N 448.632 6.509 30 10 IKEE CCc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2cc(C(C)C)c(OC)cc2C)cs1 1872779811 RSGABNXCTXZHGR-NRFANRHFSA-N 448.588 6.068 30 10 IKEE COc1cc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(C)cc3)n2)c(OC)cc1Cl 1872780419 IAIWEBTWLHXABU-INIZCTEOSA-N 426.925 5.208 30 10 IKEE CCCCCCCCNC(=O)c1ccc2nc(COc3ccc(Cl)cc3Cl)[nH]c2c1 1872807847 HWRPDORWKNKTBK-UHFFFAOYSA-N 448.394 6.539 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccccc1C(C)C)n2CCC 1873619548 HKKVFRFBKVSLAS-UHFFFAOYSA-N 449.643 6.989 30 10 IKEE CC(C)(C)c1ccc(OCCCC(=O)Nc2c(C#N)cnn2-c2cc(F)cc(F)c2)cc1 1873684552 JOCGQJQDYPCHNU-UHFFFAOYSA-N 438.478 5.117 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1cccs1 1874197104 SFOUWTFBGOILEN-PCLIKHOPSA-N 448.617 6.055 30 10 IKEE CCCSc1nnc(COc2ccccc2OC)n1/N=C/c1ccccc1OC(C)C 1874290626 XMKREFUQDPLESS-BUVRLJJBSA-N 440.569 5.037 30 10 IKEE Cc1ccc(CSc2nnc(COc3c(C)cccc3C)n2/N=C/c2ccccc2)cc1 1874298613 JWVWDSSIMSDRBZ-JVWAILMASA-N 442.588 5.957 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2/N=C/c2sccc2C)cc1 1874356038 OMEGFMVDROSCIQ-CVKSISIWSA-N 446.645 6.339 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2cccs2)n1/N=C/c1ccccc1F 1874368659 MPOGMEPHEHNHKH-MFKUBSTISA-N 436.581 5.747 30 10 IKEE Oc1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SCc2ccc(F)cc2)cc1 1874373918 YHGLKZBQDITOFD-VULFUBBASA-N 436.487 5.027 30 10 IKEE COc1ccccc1/C=N/n1c(Cc2ccccc2F)nnc1SCc1ccccc1 1874375701 JEPAMLYXPVUDHA-WGOQTCKBSA-N 432.524 5.191 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@H](C)c3ccccc3)n2/N=C/c2ccccc2O)c1 1874395549 PBNQBNKBWQJDSB-CSWGWEJPSA-N 442.588 5.927 30 10 IKEE Cc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2[C@@H](C)c2ccccc2)cc1 1874399617 ADRXHVCFUACSAD-YQEDBCDYSA-N 426.589 5.955 30 10 IKEE Oc1cccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C2CCCC2)c1 1874457041 XJKMSLUUNPHJAT-WYMPLXKRSA-N 447.391 6.123 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1/N=C/c1ccc(CC)cc1 1874475414 YXYURBHGBFJKIL-WGOQTCKBSA-N 449.624 5.413 30 10 IKEE COCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874499385 OXVPVJINNQKEMO-LSFURLLWSA-N 425.316 5.045 30 10 IKEE FC(F)(F)c1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CC2)cc1 1874520099 AUYCESSPJIPEIV-OPEKNORGSA-N 436.890 6.002 30 10 IKEE CCN(Cc1ccccc1)c1ccc(/C=N/n2cnnc2SCc2cccc(F)c2)cc1 1874538240 ULWZMUGSSJMMKP-LQKURTRISA-N 445.567 5.618 30 10 IKEE CCCOc1ccc(/C=N/n2c(S)nnc2CCc2ccc(Cl)cc2)cc1OCC 1874566150 LZINEHJWASCEAG-BUVRLJJBSA-N 444.988 5.075 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(F)c(C)c2)c1OCc1ccc(Cl)cc1Cl 1874581434 NNLLMCSSBALERV-DHZHZOJOSA-N 445.317 6.925 30 10 IKEE C=CCOc1c(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(Br)cc1OC 1874582998 QONRJKFHJRPBAL-FMIVXFBMSA-N 429.354 6.216 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCc2nc(O)c3ccccc3n2)c(C)c1C 1874586471 OYQNCYUPMFDSQB-WYMLVPIESA-N 440.499 5.436 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2cccc(OCc3cccc(F)c3)c2)cc1 1874597807 FWVKTVZEEVWCDH-QGOAFFKASA-N 446.562 7.650 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3ccccc3F)c(OC)c2)cc1 1874613922 UJRFETXOKJSBDB-NTEUORMPSA-N 436.479 5.717 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(Cl)c3)c(OCC)c2)cc1 1874614983 AKTHPBIRBBKSFR-RIYZIHGNSA-N 436.935 6.613 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2Cl)cc1 1874624955 FJUDCWUUGRCELI-WLRTZDKTSA-N 437.898 5.955 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Cl)c1OCc1cccc(C)c1 1874627344 KSDCTEGCMUYKGI-JXMROGBWSA-N 442.889 6.800 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)c1C 1874628940 DJZAXGAQMYDIHI-YRNVUSSQSA-N 439.382 7.702 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OCc3cccc(Cl)c3)c([N+](=O)[O-])c2)c(C)c1 1874634390 ZMALBUBSGFMUFW-VQHVLOKHSA-N 435.907 6.649 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(C)c(C)c1 1874668665 LJOQTFBVLLYLIB-AREMUKBSSA-N 447.623 5.603 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1OC(=O)c1ccccc1C 1874692940 FDRPXEKPDHVOIS-LDADJPATSA-N 448.518 6.786 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)CCc3ccccc3)c2)cc1OC 1874694264 ULYBXFPSXWTDTR-UKTHLTGXSA-N 446.499 5.147 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(OC(C)=O)cc3)c2)cc1C 1874696068 HABFOHCRLYVZCD-NTUHNPAUSA-N 430.456 5.044 30 10 IKEE CCCCCCC(=O)Oc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1OC 1874701886 CIPXKUJEVQCGDP-XYOKQWHBSA-N 435.347 6.774 30 10 IKEE C[C@@H](C(=O)Oc1cccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)c1)c1ccccc1 1874712133 ATYLQCBYAWNCPE-GFCAVMEOSA-N 448.518 7.084 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc1OC(=O)c1ccccn1 1874718823 OAYUHWYXWLHKBM-JLHYYAGUSA-N 439.467 5.367 30 10 IKEE CCCCCCCCC(=O)NCc1nn2c(CC34CC5CC(CC(C5)C3)C4)nnc2s1 1874771754 LZDJVYSRGWLVEC-UHFFFAOYSA-N 443.661 5.312 30 10 IKEE Cc1cncc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)cc2[N+](=O)[O-])c1 1875097540 PYZXKOUKYCEWQU-UXBLZVDNSA-N 442.471 5.292 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)ccc1OC(=O)Cc1cc(C)ccc1C 1875101706 XMAKPXLXERTSNV-ACCUITESSA-N 444.527 5.755 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)[C@@H](C)c1ccccc1 1875120062 ZTGGAFCVGYMNII-IDCODDLRSA-N 430.500 5.699 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1Cl 1875120931 QSRFXZQFRLPRNJ-UKTHLTGXSA-N 434.910 7.170 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2c(F)cccc2Cl)c(Cl)c1)c1ccc(Cl)cc1 1875125785 ANZRHLIYTPIMRU-ONNFQVAWSA-N 449.692 6.901 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OC(=O)Cc1ccc(C)c(C)c1 1875127479 HRVOHTVZLLEKFJ-VAWYXSNFSA-N 434.919 6.010 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccncc1 1875132028 BGZAGZOKKXBFJK-QHHAFSJGSA-N 428.271 5.512 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)c1ccc(OC)cc1 1875140384 DDPLCWVKLUHPID-RIYZIHGNSA-N 430.500 5.826 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)Cc1ccccc1 1875141184 RTPUJRUKHRVMOL-FMIVXFBMSA-N 434.463 5.196 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc([N+](=O)[O-])c1OC(=O)CC(C)C 1875142073 KAOHGKPCKVNPLP-RMKNXTFCSA-N 429.444 5.289 30 10 IKEE Cc1cnc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc4ccccc34)cc2Cl)cn1 1875154082 NMLCBDYXYSVSBG-PKNBQFBNSA-N 428.875 5.707 30 10 IKEE Cn1c(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2Cl)cc2ccccc21 1875158114 FZZIKHNCYMNGCX-WUXMJOGZSA-N 433.866 6.086 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc([N+](=O)[O-])c1OC(=O)C(C)(C)C 1875163829 FOCYTTSSOOXIHW-RMKNXTFCSA-N 433.407 5.119 30 10 IKEE CC1(C)OB([C@]23C[C@@H]2CCN(Cc2ccc(Br)cc2Cl)C3)OC1(C)C 1879792122 DQKMSPXRTKXKQN-LIRRHRJNSA-N 426.591 5.161 30 10 IKEE CCN(CC)c1cccc(OCC#CCNC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1 1891286669 XLJHGNVZOYZOEE-UHFFFAOYSA-N 448.651 5.940 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 1949562430 ZAMWEYZTYFKBEB-UUOWRZLLSA-N 435.609 5.628 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@H](C#N)[C@@]1(C)CCCN1C(=O)OC(C)(C)C 1991919648 NPHCNZXGWOIDBS-HTAPYJJXSA-N 435.590 5.167 30 10 IKEE CC[C@@H]1CC[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)CN1C(=O)OC(C)(C)C 1996583787 UPTWTDORAUWSOZ-UZUQRXQVSA-N 449.617 5.557 30 10 IKEE O=C[C@@]1(C(F)(F)F)C[C@@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2024245339 XXLAVBQOXRSPAN-QPPBQGQZSA-N 426.434 6.080 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2cccs2)cc1Cl 2033815413 HTNRZBYAVQWXCO-LJQANCHMSA-N 443.908 5.090 30 10 IKEE C#CC[C@H](C)CC(=O)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2076060891 BYONUOARHVUKSQ-RBTNQOKQSA-N 428.528 5.497 30 10 IKEE Fc1cc(C(F)(F)F)ccc1Cn1nc(Br)c(Cl)c1C(F)(F)F 2079144081 UEQLDBQSJBRFEI-UHFFFAOYSA-N 425.529 5.524 30 10 IKEE CC(C)(C)[C@@H](c1ccc(C(F)(F)F)cc1)n1nc(C2CC2)c(C#N)c1Br 2079862693 PGJUPACJNDRMFA-MRXNPFEDSA-N 426.280 6.049 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(Cc2ccccc2)CC1(C)C 2098716669 WXCVZQBCSQAARX-MHZLTWQESA-N 449.595 5.631 30 10 IKEE CCCN[C@@]1(C#N)C[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)CCC1(C)C 2099190024 SKQAPSAKQHTKLW-LMSSTIIKSA-N 446.683 5.461 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Br)ccc1Cl)NCC 2110498349 PPUXHTALDCXQME-ROUUACIJSA-N 445.829 5.483 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Br)c1Cl)NCCC 2110500490 KAKMFYCYILZOPZ-SJORKVTESA-N 445.829 5.483 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)C[C@@H]2CCCC[C@@]2(C)C1 2154236932 YFUPERFSTXUUCB-WQTXXOFMSA-N 433.390 6.443 30 10 IKEE COc1cc(C)cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)c1 2201258160 UZYHJQLIZQJOEZ-LJQANCHMSA-N 431.330 5.773 30 10 IKEE C=C[C@](N)(c1sc(Br)c(Br)c1Br)C(C)(C)C 2212191571 LHPYWBMNWVLHJL-NSHDSACASA-N 432.019 5.422 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCC[C@]2(C#N)N(C(=O)OC(C)(C)C)C2CCCC2)C1 2218417975 PQULTOFTAMOBOU-DMJCMNNJSA-N 447.620 5.486 30 10 IKEE CCCCCCC[C@H](O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229097040 WTVOVHCXSAUMCF-OALUTQOASA-N 428.411 5.606 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)nn1C(C)C 2232483411 KNRPUOVWKSLEEU-QAPCUYQASA-N 443.430 5.127 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)CCC[C@H](CC)NC(=O)OC(C)(C)C 2235747693 RWHZWZSZCLXVNJ-RBUKOAKNSA-N 437.422 5.252 30 10 IKEE C=C1CCC(C[C@@H](O)[C@H](Cc2cccc(Br)c2)NC(=O)OC(C)(C)C)CC1 2237384850 VYTAJYBKQZQNER-VQTJNVASSA-N 438.406 5.382 30 10 IKEE C=C1CC(C[C@@H](NCC)[C@H](Cc2cccc(Br)c2)NC(=O)OC(C)(C)C)C1 2237407666 TUNDRRNGIDGTSI-UXHICEINSA-N 437.422 5.219 30 10 IKEE COc1ccc(C#C[C@@H](N)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1 2237754587 UNJWKDALEXBKRG-MUUNZHRXSA-N 449.550 5.905 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)CC 2296217104 QQEGIMCYZMXPJE-PWIZWCRZSA-N 437.422 5.108 30 10 IKEE COc1cccc(C=C2SC(=Nc3ccc(C)c(C)c3)N(c3ccc(C)c(C)c3)C2=O)c1 2296826732 JZTGGLKGODRTLO-UHFFFAOYSA-N 442.584 6.737 30 10 IKEE CCOc1cc(C=C2SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)ccc1O 2296826753 NGXRSFDDJYYEKR-UHFFFAOYSA-N 444.556 6.216 30 10 IKEE COc1ccccc1C=CC=C1Oc2cc(OC(=O)c3ccccc3Cl)ccc2C1=O 2296867928 HBAPEQCAOZZERL-UHFFFAOYSA-N 432.859 5.740 30 10 IKEE CCOC(=O)c1oc2ccc(C=NCCc3ccc(OC)c(OC)c3)c(Cl)c2c1C 2297124340 DEDXIKBAIDKRTE-UHFFFAOYSA-N 429.900 5.250 30 10 IKEE Cc1ccc(CN2c3ccccc3C(=O)C(=CNc3ccccc3Cl)S2(=O)=O)cc1 2297375416 ANHDSTGRRTUDFC-UHFFFAOYSA-N 438.936 5.135 30 10 IKEE Clc1ccc(N=CC=C(Nc2ccc(Cl)cc2)c2ccc(Cl)c(Cl)c2)cc1 2297534961 MEDBKPAFNMCXLE-UHFFFAOYSA-N 436.169 8.156 30 10 IKEE C[C@H]1[C@@H]2[C@@H](C[C@H]3[C@@H]4CC(=O)C5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@@]12CC[C@@H](C)CO2 2297707615 BHUDKWOFZIXCDR-SCIXIEICSA-N 426.597 5.101 30 10 IKEE O=C1C(=Cc2cccc([N+](=O)[O-])c2)SC(=NCc2ccccc2)N1Cc1ccccc1 2313518623 LYFALZGRIMQGOA-UHFFFAOYSA-N 429.501 5.268 30 10 IKEE CCOc1ccc(C=C2SC(=Nc3cccc(C(=O)O)c3)N(c3ccccc3)C2=O)cc1 2314547399 GRJZKYFEYYXBFT-UHFFFAOYSA-N 444.512 5.592 30 10 IKEE Cc1cc(CN(CCC(F)(F)F)Cc2ccccc2)cc(B2OC(C)(C)C(C)(C)O2)c1 2320595078 ARZJQUSMLNFCSA-UHFFFAOYSA-N 433.323 5.249 30 10 IKEE N#Cc1nc([C@H]2C[C@@H]2c2ccccc2)oc1NN=Cc1cccc(OC(=O)c2ccco2)c1 2320837073 KBGCGPXOSPDZFP-UXHICEINSA-N 438.443 5.076 30 10 IKEE O=C(O)c1ccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CC2)cc1 2320909302 QQJIJZJFWSUQFS-UHFFFAOYSA-N 447.347 5.335 30 10 IKEE Cc1cc(OCc2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1c(F)cccc1Cl)O2 2321773114 SOPZHROIZAKRGK-UHFFFAOYSA-N 429.274 6.636 30 10 IKEE CCCCCOc1ccc(C=Nn2c(S)nnc2CCc2cccc3ccccc23)cc1 2322206870 FYRIBVJOIKGHDJ-UHFFFAOYSA-N 444.604 5.956 30 10 IKEE CCc1ccc([C@H](C)N2COc3ccc4c(c3C2)OC(=Cc2ccccc2Cl)C4=O)cc1 2322259988 XKIGMIUFFJJYMZ-KRWDZBQOSA-N 445.946 6.432 30 10 IKEE CCCCC[C@@H](CC)N1COc2c(cc3c(c2C)OC(=Cc2ccccc2Cl)C3=O)C1 2322356707 FOIAMLPGEGEFCI-HXUWFJFHSA-N 439.983 6.775 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C)cc2)c1OCC(=O)Nc1ccc(C)cc1C 2322600664 VWFFLLAGXSNOHH-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1ccc(F)cc1)Nc1ccc(F)cc1 2322748665 RAVGSUBJEHDRJF-UHFFFAOYSA-N 427.834 5.532 30 10 IKEE Cc1c(OC(=O)Cc2cccs2)ccc2c1OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2322868663 VWKKUBUTDJDIAK-UHFFFAOYSA-N 445.323 6.128 30 10 IKEE CCOc1c(Br)cc(C=NNc2ccc(C)c(Cl)c2)cc1Br 2322974154 HYDPAGWFLOAZNE-UHFFFAOYSA-N 446.570 6.018 30 10 IKEE CCCOC(=O)COc1c(C=CC(=O)c2cc(C)c(OC)cc2C)cc(Cl)cc1OC 2322992104 YLIMMCYEDJNEDJ-UHFFFAOYSA-N 446.927 5.202 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OC(=O)c4cccc5ccccc45)c3C)C2=O)c1 2323481396 POVLVIQSCSEHAT-UHFFFAOYSA-N 436.463 5.992 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccc(OC)cc2)cc1OCC 2323647094 GXQVIBTWBPMAAJ-UHFFFAOYSA-N 439.552 5.017 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1)NCc1ccco1 2323879665 RUXUPVBLLITEAM-UHFFFAOYSA-N 430.287 5.178 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OCc1ccccc1Cl 2324009900 ZSRIKNARQXBKFM-UHFFFAOYSA-N 436.935 6.531 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OCC(=O)Nc1ccccc1 2324171893 XLQDTUAYWHXBDO-UHFFFAOYSA-N 443.543 6.122 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCCCOc4ccccc4)c3C)C2=O)c(OC)c1 2324234540 GCHIGECNADAJDK-UHFFFAOYSA-N 446.499 5.476 30 10 IKEE CCCOc1ccc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc1Br 2324262473 UFRPCDGAOJDAAW-UHFFFAOYSA-N 431.370 6.574 30 10 IKEE CC(C)(C)c1ccc(OCCOc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2324685806 VJQCJFUZHSYAKO-UHFFFAOYSA-N 448.946 6.712 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OCC(=O)Nc3cccc4ccccc34)ccc2C1=O 2325707041 UTCYJVMLCOXJDU-UHFFFAOYSA-N 435.479 5.782 30 10 IKEE CCc1cccc(CC)c1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1cccs1)C2=O 2325718735 JSDDCELVRNTMKT-UHFFFAOYSA-N 447.556 5.815 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(CC)cc4)cc(C)c3C2=O)cc1 2325723169 VYZXHSCGNVUAKC-UHFFFAOYSA-N 441.527 5.754 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1cccc(C=CC(=O)c2ccc(F)cc2F)c1 2325726115 MXQLKRIOAZPUFH-UHFFFAOYSA-N 426.846 6.053 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2cccc(OC(=O)c3ccc4c(c3)OCO4)c2)c1C 2325756935 TXNZYZHKGMZEMD-UHFFFAOYSA-N 428.484 5.764 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1OC(=O)c1sccc1C 2325772570 YWOXNOWIDVANAZ-UHFFFAOYSA-N 447.339 6.487 30 10 IKEE COc1ccc(OCc2nnc(SC)n2N=Cc2ccc(F)cc2F)c(C(C)(C)C)c1 2325815062 NYWMCDBLUPYJKK-UHFFFAOYSA-N 446.523 5.046 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1ccc(CC)cc1 2326323820 GWYXZOAMBBGTKO-UHFFFAOYSA-N 448.636 5.965 30 10 IKEE CCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1c[nH]c2ccccc12 2326331535 HEHIERGFNOFORX-UHFFFAOYSA-N 431.609 6.184 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@]23C[C@H](CCN2C(=O)OC(C)(C)C)C3)cc1 2326630461 DNADKEZAGKSYDZ-JVFUWBCBSA-N 441.572 5.418 30 10 IKEE CCCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc(C(C)(C)C)cc1 2329121698 ZVSQCMIXGWXJTJ-UHFFFAOYSA-N 427.017 6.204 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2F)n1N=Cc1ccccc1O 2329487363 QAIVVPXIKXDVDQ-UHFFFAOYSA-N 446.551 5.391 30 10 IKEE COc1ccc(C=Nn2c(Cc3ccc(C)cc3)nnc2SCc2cccc(F)c2)cc1 2329955528 QXNNCWZDDAONQP-UHFFFAOYSA-N 446.551 5.500 30 10 IKEE Cc1ccsc1C=Nn1c(SCCc2ccccc2)nnc1[C@@H](C)c1ccccc1 2330112892 DCBJKTIBZGRIFK-IBGZPJMESA-N 432.618 6.017 30 10 IKEE Cn1c(C(=O)Oc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc2ccccc21 2330623399 RWBDGUYCKCLXLK-UHFFFAOYSA-N 426.428 5.202 30 10 IKEE COc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1 2330653882 YFXDDUZPGMZFGU-UHFFFAOYSA-N 438.479 5.729 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)cc3)c(Cl)c2)cc1C 2330858171 CYWSEYMUONFCRN-UHFFFAOYSA-N 438.882 5.840 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Br)c2)cc(OC)c1OC(=O)C1CCC1 2331000995 GAQBLYAOIMPAPU-UHFFFAOYSA-N 445.309 5.068 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1cc(C)cc(C)c1 2331042654 UOZGCXMIVYQVGV-UHFFFAOYSA-N 445.471 5.726 30 10 IKEE Cc1ccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C(F)(F)F)cc1 2331155286 NHKCDPBPKFTUFA-UHFFFAOYSA-N 445.297 6.087 30 10 IKEE COCCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc(F)cc1 2331307113 HJVHBKKKNWPCCO-UHFFFAOYSA-N 439.343 5.087 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2)cc1 2331315894 DPSYEYMUMYIBFT-UHFFFAOYSA-N 428.528 6.273 30 10 IKEE CCCCc1nnc(SCCc2ccccc2)n1N=Cc1ccc(C(F)(F)F)cc1 2331339494 LAZINZRQQKCCPR-UHFFFAOYSA-N 432.515 5.857 30 10 IKEE CC(C)Cc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1ccc(C(C)(C)C)cc1 2331429829 JYXLHLUUNRWSOJ-UHFFFAOYSA-N 449.624 5.387 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)cc(Cl)c1OC(=O)C(F)(F)F 2331467210 NMOHGQGPNDMJAT-UHFFFAOYSA-N 434.797 5.866 30 10 IKEE Cc1ccc(CSc2nnc(C3CCC3)n2N=Cc2ccc(Br)cc2)cc1 2331481077 WVVTYCOKEMYWFK-UHFFFAOYSA-N 441.398 5.791 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3)c([N+](=O)[O-])c2)cc1 2331498492 WOHXDOWHRURHDC-UHFFFAOYSA-N 443.499 6.153 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)c3ccco3)c(OC)c2)c1 2331684652 DMUXTNSTUBGZGI-UHFFFAOYSA-N 436.460 5.201 30 10 IKEE CC(C)N(C[C@@H](C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2339578822 MUJAPVWBTHYGPZ-KAUXGEHWSA-N 446.397 5.139 30 10 IKEE CO[C@@]1(C)C[C@H]2C[C@@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2356215399 GMXXBEKTNRBMBK-RPQNVMPDSA-N 435.362 5.288 30 10 IKEE COC1(C#C[C@H](N)c2ccc(NC(=O)OC(C)(C)C)c(Br)c2)CCCCC1 2363724212 BBVSZVBGJKMSBH-KRWDZBQOSA-N 437.378 5.149 30 10 IKEE COc1c(O)cccc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2367311007 GTKZFCCGVQJWTC-MRXNPFEDSA-N 433.302 5.170 30 10 IKEE CO[C@H](C#CC(=O)c1ccc(Br)cc1NC(=O)OC(C)(C)C)C1CCCC1 2369620918 ICXFYVZDEXUZSR-LJQANCHMSA-N 436.346 5.187 30 10 IKEE Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)/C=C3/N(C)c4ccccc4C3(C)C)cc12 3204273 ZAWNGDSOOYKFPN-OEAKJJBVSA-N 447.991 6.543 30 10 IKEE Cc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(OCc3ccccc3)c2)cc1 21230399 YLMXSTIFAJKWQV-NOZRDPDXSA-N 437.539 5.578 30 10 IKEE CSc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(Cl)c(Cl)c2)C3)cc1 21242561 LDOUGHSRJBQYAX-HOCLYGCPSA-N 432.372 5.720 30 10 IKEE CC[C@H](Sc1cc(C)c2cc(C)cc(C)c2n1)C(=O)Nc1sc2c(c1C#N)CCCC2 32529577 URXRUFBHYDAADG-FQEVSTJZSA-N 449.645 6.481 30 10 IKEE CC(C)COC(=O)c1ccc(NC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)cc1 33591940 DSXXGJJLSOKHIV-UHFFFAOYSA-N 428.488 5.056 30 10 IKEE Cc1cc(-c2ccccc2)nc(SCC(=O)Nc2sc3c(c2C#N)CCCCCC3)n1 34703908 VXMNVZXOXDIVKM-UHFFFAOYSA-N 448.617 5.775 30 10 IKEE Cc1ccc(/C=C2/S/C(=N/c3nc(-c4ccccc4)cs3)N(C3CCCCC3)C2=O)o1 39866029 IBVFYBAEUKYJCJ-DRMKFXMXSA-N 449.601 6.648 30 10 IKEE CCCCCCCOc1cccc(NCC(=O)Nc2cccc(NC(=O)C(C)C)c2)c1 100090169 IAMHBXIVNRTIOZ-UHFFFAOYSA-N 425.573 5.681 30 10 IKEE CCCCCCCOc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1 100140168 YYFKOQQBSGEYSF-MHZLTWQESA-N 428.576 6.803 30 10 IKEE CCCCCCCCCCCCOc1ccc(OCCOCCOCCS)cc1 100311409 SUPRHDHBFFHZGJ-UHFFFAOYSA-N 426.663 6.328 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)cc1 165790197 DNYPWJKCLBMJME-NRFANRHFSA-N 437.854 5.271 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2cccc(C)c2C)c1 169933966 GSQGEBBADQNERJ-XMMPIXPASA-N 445.490 5.542 30 10 IKEE CCCOc1c(Cl)cc(/C=N\Nc2nc(-c3cccc(OC)c3)cs2)cc1OCC 169940465 OVQZPJQMFBIJTN-CFRMEGHHSA-N 445.972 6.106 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccc(O)cc2)cc1C 169960171 PLUBZNAJTCPEOM-QHCPKHFHSA-N 431.463 5.239 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccc(O)cc2)cc1 169960876 AVQWJNDQRVJGIR-XMMPIXPASA-N 427.500 5.354 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccc(O)cc2)cc1 169961656 PXATXUKFOSUNDP-JOCHJYFZSA-N 433.891 5.391 30 10 IKEE Cc1cccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccc(C(C)C)cc2)c1 169967767 CNPOTFZYPIDSEN-MHZLTWQESA-N 439.555 6.220 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccs1 169984700 NVNUVTIEDZPXLE-LJQANCHMSA-N 444.339 6.146 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@@H]2c2ccccn2)c1 169996747 UPLOWXQPVOPNBS-JOCHJYFZSA-N 448.906 5.225 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@H]2c2ccccc2F)c1 170072769 JBDXBORTSGFWAE-QFIPXVFZSA-N 441.462 5.102 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cn(C)c2ccccc12 170085815 JWEPQBDOHWWPEX-DEOSSOPVSA-N 444.531 5.016 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccco2)c1 170089683 VSIYBGHCELZZBU-HSZRJFAPSA-N 431.488 5.468 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(O)cc2)c1 170130185 PUSHKFXEIUPQFS-QFIPXVFZSA-N 449.528 5.021 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc(O)cc1)c1cc2ccccc2o1 170131285 URYHXSKRKTUVLY-JOCHJYFZSA-N 429.403 5.060 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2cccs2)c1 170139253 ZOVGUSQIFMAOCV-WAIKUNEKSA-N 445.540 5.158 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(C)c2)cc1C 170144014 UMDCISHOHYJQSP-HSZRJFAPSA-N 431.488 5.074 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccs2)cc1C(C)(C)C 170159075 KYPFWAWQPTZFHR-QFIPXVFZSA-N 447.556 5.837 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccn2)cc1C(C)C 170170519 NAYSMPGOLSJMTG-XMMPIXPASA-N 442.515 5.305 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccncc2)c1C 170203035 VFRKQZIGESIHHO-RUZDIDTESA-N 434.495 5.635 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@@H]2c2ccccc2)cc1 170224358 QYVSTOUMGXBWDQ-RUZDIDTESA-N 441.527 5.821 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1 170226076 VNVOKCLCDZUOIW-DEOSSOPVSA-N 441.527 5.776 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@@H]1c1ccc(Cl)cc1 170236139 WEJVRDYJXSLHMW-QFIPXVFZSA-N 441.955 5.850 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccc(F)cc1)c1cccc2ccccc12 170241975 GTPDYUVDZOTDGC-DEOSSOPVSA-N 438.458 5.152 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1c[nH]c2ccccc12)c1ccc2c(c1)CCCC2 170254197 NVGQIAABBXPHJM-SANMLTNESA-N 448.522 5.830 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1ccccc1C 170273203 VTTUMAZPFYFTJN-XMMPIXPASA-N 443.499 5.104 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1ccco1 170288806 RZGHESKZOWPAMX-PEBXRYMYSA-N 449.890 5.348 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccco2)ccc1OC(C)C 170290220 UDAFOFFKASUXGF-HSZRJFAPSA-N 431.488 5.467 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC(C)C)c3)[C@@H]2c2ccc(C)o2)c1 170300280 ZGWXUOBWXOWPQB-DEOSSOPVSA-N 445.515 5.714 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccc(C)o2)cc1 170300811 CSVXIDUGIQDXJQ-VWLOTQADSA-N 437.495 6.087 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1cccc(F)c1 170313611 GLHKZQKQKGRCIR-GOSISDBHSA-N 427.884 5.632 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2sccc2C)cc1 170315195 KZTMOVPACIBRSV-IBGZPJMESA-N 434.473 5.056 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(C(C)C)cc2)cc1 170360317 LZNJBAMWMNKGDI-DEOSSOPVSA-N 442.515 5.387 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2cccc(Cl)c2)cc1 170453873 HBUSEBYMLUMGPB-QHCPKHFHSA-N 440.971 5.701 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccc(C(C)(C)C)cc1 170472103 HPCFVAWZLWVRJP-FQEVSTJZSA-N 448.588 6.109 30 10 IKEE CCCCCCCCCCCCCC[C@@H]1OC(C)(C)O[C@@H]1[C@@H](O)[C@@H]1COC(C)(C)O1 248257503 LGWUPCHVFJGQAF-MLCQCVOFSA-N 428.654 6.110 30 10 IKEE CCCCc1cc(CCCC)nc(NN=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1 252634836 WRRUFYVWLPFFTB-UHFFFAOYSA-N 438.660 6.908 30 10 IKEE Clc1ccc(-c2nc3cc(N=C/C=C/c4ccc(Cl)cc4Cl)ccc3o2)cc1 254824244 RCBUSTNKLMRFRJ-MOTOTAFCSA-N 427.718 7.871 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1cccc(Br)c1 526743485 HYYCFEZIFBUJEH-NRFANRHFSA-N 448.316 5.540 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1c(C)n(C)c2ccccc12 526807259 QRUUVWXXRIRWJN-QFEZKATASA-N 438.000 5.859 30 10 IKEE CCc1nnc(SCc2cccc(C)c2)n1/N=C\c1ccccc1OCc1ccccc1 526807669 BQOHZALFAGHSNJ-PKAZHMFMSA-N 442.588 5.902 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1ccc(Cl)c([N+](=O)[O-])c1 526809991 YZQMXPGYILVFDA-FMCGGJTJSA-N 443.960 5.584 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccccc2C)c1 526818822 BOTVDVXOBZOGOY-VEILYXNESA-N 440.616 6.163 30 10 IKEE CCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1ccc(OC)c(OC)c1Cl 526825190 NMVIQPJIALCKCI-MSXFZWOLSA-N 448.951 5.215 30 10 IKEE Cc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)c(Br)c1 698957543 OSZCANZXVHIFIF-SFHVURJKSA-N 435.749 6.417 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)CN(C(=O)OC(C)(C)C)C(C)(C)C)c1 829354157 LROXARRSUZDFQQ-SFHVURJKSA-N 447.576 5.364 30 10 IKEE CCCCCCN(CCCCCC)CN1C(=O)C(=Nc2cccc(C)c2)c2ccccc21 1084083256 CYKFAHMWRDTZMK-UHFFFAOYSA-N 433.640 6.883 30 10 IKEE COc1cc(C=Nc2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc(OC)c1O 1084234738 BJMBFNSPCBHAQM-UHFFFAOYSA-N 436.533 5.353 30 10 IKEE Clc1ccc(C=NNc2nc(SCc3ccc(Cl)c(Cl)c3)n[nH]2)c(Cl)c1 1084276300 ANMANMRABAOFBY-UHFFFAOYSA-N 447.178 6.157 30 10 IKEE Cc1ccc(S(=O)(=O)n2cc(C[C@H]3CCCC[C@H]3CCC=O)c3cc(F)ccc32)cc1 1616049079 RIYPEZISYYVQNV-VQTJNVASSA-N 441.568 5.654 30 10 IKEE CN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)SC1=Nc1cccnc1Cl 1772735561 HZTKXAVQUGYQJY-GQZSXMDHSA-N 430.316 5.882 30 10 IKEE CCc1ccc(-n2cc(/C=N\NC(=S)Nc3ccc(C)cc3)c(-c3ccccc3)n2)cc1 1857810018 MJEHVNNVQXYORQ-PKAZHMFMSA-N 439.588 5.731 30 10 IKEE CCN(CC)c1ccc(NC(=O)CSc2nc3ccc(OC)cc3cc2C#N)c(C)c1 1858204843 VWZDLMPHGRANFQ-UHFFFAOYSA-N 434.565 5.001 30 10 IKEE Cc1ccc(SCCCC(=O)Nc2c(C#N)cnn2-c2cc(C)c3ccccc3n2)cc1 1859763789 VOORUUMEDIINCV-UHFFFAOYSA-N 441.560 5.420 30 10 IKEE CCCCCCCCCCNC(=O)c1oc2cc(OCC)ccc2c(=O)c1-c1ccccc1 1859780875 DFIKLHOAMQNKPG-UHFFFAOYSA-N 449.591 6.729 30 10 IKEE CCCCCCCCCCNc1cc(N2CCC(C)CC2)nc(-c2ccc(Cl)cc2)n1 1859793157 ZSODENLWOCXDTB-UHFFFAOYSA-N 443.079 7.586 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2)cc1 1862387638 PILOUBBMGUZPDF-HSZRJFAPSA-N 431.557 5.869 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(F)cc2)cc1 1862390815 MQMGWZXTKXVNNM-XMMPIXPASA-N 435.539 6.079 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1c(Cl)cccc1Cl 1862467237 LJBWNIFQZCTNPH-QGZVFWFLSA-N 444.236 5.397 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(O)cc2)cc1 1862474871 XNBCFSOITFARRL-BVZFJXPGSA-N 441.527 5.603 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 1862475408 KXUHEUOWJPGYPQ-HSZRJFAPSA-N 431.919 5.469 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccccc2Cl)cc1 1862477342 VZHWPZZAMYCGFP-QHCPKHFHSA-N 437.967 6.340 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccc(C)cc2)cc1 1862486726 KEQDEZHOXOOKCQ-RUZDIDTESA-N 441.527 5.399 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)cc1 1862489202 RLEXEXFROHUXGK-HFRGRHLUSA-N 431.576 6.023 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1c(Cl)cccc1Cl 1862498585 LNLCNEKRXJQCSN-OAQYLSRUSA-N 446.374 6.379 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2ccc(F)cc2)cc1 1862529905 LACLESUTVUIKDX-XMMPIXPASA-N 429.491 5.475 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2cccc(C)c2)cc1 1862534019 PNAOBPCGYVBTOY-RUZDIDTESA-N 431.576 6.249 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(OC)c(OC)c2)cc1 1862538686 KCKQGOLSBKJCRV-DEOSSOPVSA-N 449.547 5.177 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862619893 FVVNORAMEJXSDN-QHCPKHFHSA-N 433.592 6.270 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2cccc(O)c2)c1 1862650208 PXBGUJJPGQLJGD-AREMUKBSSA-N 449.506 5.632 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(Cl)cc1 1862652939 NAQPWXCOTQHECT-HSZRJFAPSA-N 433.935 6.118 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(C(C)C)cc2)cc1 1862664819 RSUBQJITGAMNKL-VWLOTQADSA-N 431.576 6.454 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1cccc(OCCC)c1 1862707158 PBRNRGHUEGEUQF-HSZRJFAPSA-N 437.536 5.253 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccccc2)c1 1862713450 OZCZNPVSTWVKAT-HHHXNRCGSA-N 447.534 6.235 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccccc1F 1862724254 KIIGLCXKXJKAGF-BXKMTCNYSA-N 429.491 5.870 30 10 IKEE CCOc1ccccc1N1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(Cl)cc2)C1=O 1862790109 BUSRNNNYYUORHF-UHFFFAOYSA-N 443.890 5.007 30 10 IKEE N#Cc1cccc(N2C(=O)C(Nc3cccc4ccccc34)=C(c3ccccc3Cl)C2=O)c1 1863076385 LTZZOLRVWOQGAP-UHFFFAOYSA-N 449.897 5.761 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Oc3ccccc3)cc2)=C(c2ccc(F)c(C)c2)C1=O 1863459750 LSIDNIUXGYLWOG-UHFFFAOYSA-N 428.463 5.304 30 10 IKEE C=CCNC1=C(c2cccc3ccccc23)C(=O)N([C@@H](C)c2ccc3c(c2)CCCC3)C1=O 1863591347 PTTWZXACSGWYER-IBGZPJMESA-N 436.555 5.335 30 10 IKEE CC(C)N1CCN(c2cc(Nc3ccccc3C#N)nc(-c3ccccc3)n2)c2ccccc21 1868373263 SCGHUZHNQHIGME-UHFFFAOYSA-N 446.558 6.125 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(C)C 1868865726 NBSQENRPYGEPMN-UXHICEINSA-N 425.400 5.074 30 10 IKEE CCCCCCCCCCNC(=O)c1cn(-c2ccc(C(F)(F)F)cc2)c(=O)cc1O 1870133210 OYPAIQHQGISTAN-UHFFFAOYSA-N 438.490 5.432 30 10 IKEE N#Cc1nnn(-c2ccc(Oc3ccccc3)cc2)c1NC(=O)C12CC3CC(CC(C3)C1)C2 1870161082 ZPFFOLGJRULGGT-UHFFFAOYSA-N 439.519 5.086 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCCCCC)cn1CCc1c[nH]c2ccccc12 1870674485 MMPALPWUNQFZCZ-UHFFFAOYSA-N 447.623 5.705 30 10 IKEE CCCCCCCCn1cc(OC)c(=O)cc1CNc1ccc(N2CCC(C)CC2)cc1 1870997732 XAEUKWWQIZYHJM-UHFFFAOYSA-N 439.644 6.066 30 10 IKEE C#CCOc1cn(CCc2ccc(C)cc2)c(CNc2ccc(OCCCC)cc2)cc1=O 1871004396 CJTSHCDRIPNZEW-UHFFFAOYSA-N 444.575 5.202 30 10 IKEE C#CCOc1cn(CCCCCC)c(CNc2ccc(Cl)c(C(F)(F)F)c2)cc1=O 1871008754 LSIKFLRFIWSHFP-UHFFFAOYSA-N 440.893 5.725 30 10 IKEE C=CCn1cc(OCCc2ccccc2)c(=O)cc1CNc1cccc(C(F)(F)F)c1 1871141116 CBSNNDVEDNUPBR-UHFFFAOYSA-N 428.454 5.287 30 10 IKEE CCCCCCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(Cl)cc1)C3=O 1871348555 GGTIFYVBIRLEQY-HAHDFKILSA-N 425.956 6.469 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN([C@H]1CCCC[C@H]1C)C3 1871350994 FBBMPWPZZHSXIJ-XMGSWDSNSA-N 433.548 5.741 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc4c(c1)OCO4)O3)CN([C@@H]1CCCC[C@H]1C)CO2 1871351036 HBCCYXDBAPIPAX-XWFRRQGCSA-N 433.504 5.071 30 10 IKEE Cc1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)cc1 1871366806 NFQLTWKKAYGYJT-LDGRWDBYSA-N 440.451 5.267 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)cc1C 1871372451 RYCUVHXRDXRMTK-XYGWBWBKSA-N 440.539 6.745 30 10 IKEE Cc1c(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2F)C3=O)cccc1[N+](=O)[O-] 1871373388 CZMDGFBGMFHJDY-MTJSOVHGSA-N 433.391 5.186 30 10 IKEE Cc1c(OC(=O)/C=C/c2cccs2)ccc2c1O/C(=C\c1cn(C)c3ccccc13)C2=O 1871381466 WLSJQHJPMXYFQC-FDTILGBMSA-N 441.508 5.783 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)c1 1871387508 ZAVOMWWYYOVVRA-UUYOSTAYSA-N 445.427 5.137 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)c1 1871387656 IFCQILOFYMCOEI-YSMPRRRNSA-N 442.511 6.434 30 10 IKEE CC(C)=C1Oc2cc(OC(=O)c3cccc(OC(=O)c4ccccc4)c3)cc(C)c2C1=O 1871392390 YTFCOOPINSCCGS-UHFFFAOYSA-N 428.440 5.302 30 10 IKEE CCn1cc(/C=C2\Oc3c(CN4C[C@@H](C)C[C@H](C)C4)c(O)cc(C)c3C2=O)c2ccccc21 1871396533 LGHZPKYLVKWFQA-AXKXHUOPSA-N 444.575 5.769 30 10 IKEE Cc1c(OC(C)C)ccc2c1O/C(=C\c1cc(Br)cc3c1OCOC3)C2=O 1871416844 YNNGMVYYAOHIFA-LSCVHKIXSA-N 431.282 5.027 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc5ccccc45)ccc3C2=O)o1 1871452453 GUMPRTANOQMVHK-OYKKKHCWSA-N 425.440 5.375 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(Cl)cc4C)ccc3C2=O)cc1 1871454289 HJTDLGYEEPWIIL-CFRMEGHHSA-N 447.918 5.845 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(Cl)cc2C)[nH]c(N(CC)CC)n1 1871571702 XLUZCTHYOXXFDY-UHFFFAOYSA-N 447.071 6.398 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1 1872427454 KIYLBNAEVCRNPG-JOCHJYFZSA-N 449.016 5.331 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1cc(C)ccc1C 1872511984 OKNQMYPBBSXFDY-HSZRJFAPSA-N 442.625 5.294 30 10 IKEE N#C[C@H](C(=O)C(c1ccccc1)c1ccccc1)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872760125 HVOHKHXLVFDPSA-RUZDIDTESA-N 448.591 6.697 30 10 IKEE CCOc1ccc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(CC)cc3)cs2)cc1OC 1872761754 VEYIOIHRRDZLNO-FQEVSTJZSA-N 434.561 5.589 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(Cl)c(Cl)c3)n2)cc1 1872767927 FCVCUGUMXZVYCG-MRXNPFEDSA-N 431.344 5.935 30 10 IKEE CCOc1ccc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(F)c(C)c3)cs2)cc1OC 1872773371 ZRZZXXCACKVKAQ-GOSISDBHSA-N 438.524 5.474 30 10 IKEE COc1c(Cl)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)c2ccnc(Cl)c2)n1 1872778138 DYRYVOGQQZECGL-LBPRGKRZSA-N 438.723 5.664 30 10 IKEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)NC3CCCCCCC3)cc2[nH]1 1872806434 NGMSWIDIOYDFBX-UHFFFAOYSA-N 433.552 5.549 30 10 IKEE CCCCCCCCNC1=C(c2cc(F)cc(F)c2)C(=O)N([C@@H]2CCCC[C@H]2C)C1=O 1873113720 ZSEIOPVVYMZSMP-DYESRHJHSA-N 432.555 5.574 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H]2CCCC[C@@H]2C)=C(c2ccccc2OC)C1=O 1873153258 XXUGYOMVUKVCEK-FPOVZHCZSA-N 426.601 5.304 30 10 IKEE C=CCNC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)sc2c1CCCC2 1873442840 RNTKNCGUAAZLJD-MRXNPFEDSA-N 426.582 5.072 30 10 IKEE C=C(C)CSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1cc(Cl)ccc1O 1874269576 DBFOPZBZAYZGGO-VULFUBBASA-N 448.979 5.932 30 10 IKEE CCSc1nnc(COc2cccc(C)c2C)n1/N=C/c1c(Cl)cccc1Cl 1874323720 DTQIPLAHRJEXPF-FOKLQQMPSA-N 435.380 5.775 30 10 IKEE Fc1ccc(/C=N/n2c(COCc3ccccc3)nnc2SCc2ccccc2)cc1 1874355141 CQAYEVIXCPKPGY-CVKSISIWSA-N 432.524 5.309 30 10 IKEE Clc1ccccc1CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccccc1 1874365635 MNUWNRQQZMPSGU-AFUMVMLFSA-N 439.371 6.426 30 10 IKEE Cc1cccc(CSc2nnc(CCc3cccs3)n2/N=C/c2sccc2C)c1 1874370142 KCLYIQCRHZHQRP-OEAKJJBVSA-N 438.647 5.978 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCCC)cc1 1874380689 GFIVYPAUKQQMAP-NLRVBDNBSA-N 440.588 5.961 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(F)c3)n2/N=C/c2cc(C)ccc2O)cc1 1874387865 JCNOXKCYBGVFMZ-JFLMPSFJSA-N 446.551 5.505 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2)n1/N=C/c1c[nH]c2ccccc12 1874395141 FCSSHOORVJGHEO-XTFCHBONSA-N 437.572 6.086 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccccc2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874416369 MLIITIQZGNZBMH-PCLIKHOPSA-N 443.532 5.260 30 10 IKEE COc1cccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2C)c1O 1874416634 ZZSGDYLTAYSPIG-WGOQTCKBSA-N 444.560 5.066 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2ccccc2)cc1 1874426380 FUZCBEXFPYCIRH-YZSQISJMSA-N 441.560 5.121 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(CC(C)(C)C)nnc1SCc1ccc(F)cc1 1874437383 YEIVKHBWUARESK-CVKSISIWSA-N 440.588 5.968 30 10 IKEE Fc1ccccc1CSc1nnc(C(F)(F)F)n1/N=C/c1c(F)cccc1Cl 1874461496 PXUXVMLQWVHIPY-KTZMUZOWSA-N 432.805 5.403 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C(F)(F)F)cc1 1874462466 VEAXUYYRUVYHPQ-OPEKNORGSA-N 438.906 6.248 30 10 IKEE Cc1cccc(CSc2nnc(C(C)(C)C)n2/N=C/c2ccc(C(F)(F)F)cc2)c1 1874483575 BWGADNKGDCFSFZ-LGJNPRDNSA-N 432.515 6.077 30 10 IKEE CN(C)c1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C(C)(C)C)cc1 1874485058 BWIPHFYNKBKZKY-WPWMEQJKSA-N 443.620 5.969 30 10 IKEE COCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1cc(Cl)ccc1O 1874503112 QUPRAINJOWWCSV-WYMPLXKRSA-N 438.940 5.111 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(OC)cc1OC 1874508414 BUTRATYGZWLVPR-WGOQTCKBSA-N 446.576 5.576 30 10 IKEE COc1cccc(/C=C/C(=O)c2cccc(Cl)c2)c1OCC(=O)Nc1cccc(C)c1 1874577634 YILKWZZOGXKHTK-OUKQBFOZSA-N 435.907 5.571 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccccc2/C=C/C(=O)c2cccc3ccccc23)c1 1874582325 IYKADIYXOAGIGX-CCEZHUSRSA-N 435.523 6.370 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(F)c(F)c2)c1OCc1c(F)cccc1Cl 1874585116 MRANJAXENWMUIL-PKNBQFBNSA-N 432.825 6.241 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccccc1OCC(=O)Nc1ccccc1C 1874589019 PFBINKWTGFDQQA-OUKQBFOZSA-N 449.934 5.879 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OCc1ccc(Cl)cc1Cl 1874595461 MIYZXJXNIPIYDR-WTDSWWLTSA-N 447.745 7.131 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3ccccc3Cl)c2)cc1F 1874597442 MTNDDIMJQOSOMA-JXMROGBWSA-N 426.871 5.971 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc(OC)c1OCc1ccccc1F 1874607057 UFIZYQVOFCRUMC-ACCUITESSA-N 446.518 6.355 30 10 IKEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(Br)cc3)cc2)o1 1874608174 ZVOXPPUCSNTHJO-UUILKARUSA-N 441.277 5.304 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)c(Cl)c2)cc1 1874609170 BOOQORATBBXCGX-ONNFQVAWSA-N 449.934 5.879 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(OC)cc2)cc1OCC 1874609250 GXQVIBTWBPMAAJ-RIYZIHGNSA-N 439.552 5.017 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OCC(=O)OCC(C)C 1874615902 CWMVDLRPIFXJAG-DHZHZOJOSA-N 430.928 5.521 30 10 IKEE Cc1cccc(COc2ccc(/C=C/C(=O)c3ccc(F)c(C)c3)cc2Br)c1 1874618839 VQTCYJHPSDJECY-UXBLZVDNSA-N 439.324 6.680 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)ccc1OCc1cccc(F)c1 1874633657 ORAUHUNMZWVZED-VQHVLOKHSA-N 440.898 6.280 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3cccc4ccccc34)c2)cc1 1874707887 BLJZQFBFULIFCH-SFQUDFHCSA-N 436.463 5.880 30 10 IKEE CCCCCCCCC(=O)Oc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OC 1874707968 GFJOTNOTKRSGCY-HTXNQAPBSA-N 444.571 7.401 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(OC)c1OC(=O)c1cccc(C)c1 1875101771 QBGCCHYXVDIKGV-DTQAZKPQSA-N 440.539 6.410 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC(=O)c1ccc(Cl)cc1 1875122595 QIQXGUXCRJCTCK-QDEBKDIKSA-N 442.845 6.132 30 10 IKEE CCc1ccc(CCC(=O)Oc2c(OC)cc(/C=C/C(=O)c3ccccc3)cc2OC)cc1 1875128216 SSLWISCDURXZAP-JQIJEIRASA-N 444.527 5.701 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3OC)c(OC)c2)cc1 1875131383 VOYZSJRGDZGDIA-OQLLNIDSSA-N 432.472 5.218 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2ccc(C)cc2)cc1 1875161310 JWNQCPYRQGYQQM-FOWTUZBSSA-N 442.555 6.345 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C(F)(F)F)c(Br)c1)c1ccc(F)c(F)c1 1875162303 GYMUFZCEFKAQPB-ORCRQEGFSA-N 435.142 5.091 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OC(=O)C2CC2)c(Br)c1 1875180032 DQSRDXYELXQQQE-XVNBXDOJSA-N 449.728 5.631 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1Br 1875183204 OYSJTEXYCUJCNW-CSKARUKUSA-N 429.354 6.366 30 10 IKEE C=C(CC)C[C@H](NCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875653310 YLETWRIVPLHTGC-WNJJXGMVSA-N 445.603 6.212 30 10 IKEE O=C(Nc1ccc(Br)cc1F)c1ccc(C(F)(F)F)cc1C(F)(F)F 1889902555 FLCGHLPCKORLOP-UHFFFAOYSA-N 430.117 5.878 30 10 IKEE N#Cc1ccnc(OCC2CCN(C(=O)[C@H](Sc3ccccc3)c3ccccc3)CC2)c1 1891478564 XMPKXDGTXYXCHA-RUZDIDTESA-N 443.572 5.104 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@@H]1CC(C)(C)CN1C(=O)OC(C)(C)C)NCCC 1922061250 XSOKNWGEICOSAO-DHIUTWEWSA-N 430.633 5.553 30 10 IKEE CC(C)(C(=O)O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc(C#N)cs1 1952147328 FZHXRDHRLAXCDX-QFIPXVFZSA-N 446.528 5.310 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CC12CCC(C#N)(N(CC1CC1)C(=O)OC(C)(C)C)CC2 1996455826 YAFHKFDPZCHDHT-BIOCXDLKSA-N 433.593 5.001 30 10 IKEE CC1(C)CC[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)[C@H](OCc2ccccc2)C1 1998838211 AQQGZVGJFIGLEW-XMSQKQJNSA-N 440.506 5.844 30 10 IKEE C#CCCCC[C@H](NCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2005495595 ZSPHVARCOVTSNG-OZXSUGGESA-N 428.617 5.002 30 10 IKEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)CC1 2020304104 WJNVVDVBGYFNSQ-OAQYLSRUSA-N 443.535 5.095 30 10 IKEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2033644618 CFUKTJVKKYOBEL-XLIONFOSSA-N 449.567 5.646 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCC)c2ccc(Cl)cc2Br)C1 2077743279 JEICUZOVTDLMFE-MRXNPFEDSA-N 429.786 5.367 30 10 IKEE CCOC(=O)c1c(C(C)(C)C)nn(-c2cc(C(F)(F)F)ccc2F)c1C(F)(F)F 2079040472 PKDDFHQEGCOWDB-UHFFFAOYSA-N 426.332 5.523 30 10 IKEE CCc1ccc([C@@H](C(C)C)n2nc(C(C)C)c(/C=N/O)c2I)cc1 2079051282 BRVQRVPAPSTGMU-PGNNWUFWSA-N 439.341 5.227 30 10 IKEE CC(C)(C)c1nn([C@@H](c2ccc(C3CCC3)cc2)C2(C)CC2)c(Br)c1C=NO 2079985853 PQINLCMJWXKYCJ-FQEVSTJZSA-N 444.417 6.408 30 10 IKEE CCCCCC#CC[C@H](NCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2083443518 RQHSOSPMJCHBCB-RPLLCQBOSA-N 441.660 5.108 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)c(Br)c1)NCCC 2110503487 KDZNVHALSWYNFH-ROUUACIJSA-N 445.829 5.483 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@](C)(C#N)C1C[C@@H]2[C@@H](C1)C2(C)C 2149729282 OOXIWCPONAQCEQ-JBYIUTFZSA-N 433.390 6.155 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]2CC[C@]21CNc1cc(Br)cc(F)c1C#N 2163688813 WWXDEGCLFTUIID-RBZFPXEDSA-N 438.341 5.051 30 10 IKEE COc1cc(Nc2cc(Br)cc(F)c2C#N)ccc1NC(=O)OC(C)(C)C 2163709588 VSHMSXICHAJFSV-UHFFFAOYSA-N 436.281 5.559 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1cnc(C(C)(C)C)[nH]1 2169530656 BEPZYHHPBPTAMY-MRXNPFEDSA-N 433.350 5.476 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc2c(c1)CCN(c1cc(Br)cc(C#N)c1)C2 2174810178 JEGXHBIRCWNHKL-UHFFFAOYSA-N 428.330 5.230 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1cc(C)ccc1I 2217411917 ZZADIKWNDSSFFJ-OAQYLSRUSA-N 435.349 5.413 30 10 IKEE C=C(Cl)C[C@@H](NCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2221688297 KWNVWJDTJKFNQG-IAGOWNOFSA-N 431.802 5.006 30 10 IKEE C=C(COCc1ccccc1)C(=O)C1(NC(=O)OC(C)(C)C)C2CC3CC(C2)CC1C3 2250203476 HZARMYWQKUWYCC-UHFFFAOYSA-N 425.569 5.048 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCC(=O)O)c1sc(C)c(C)c1Br 2262205967 NDSKWLSSDLIAMV-GOSISDBHSA-N 425.344 5.043 30 10 IKEE C=C(COCc1ccccc1)[C@]1(OCCCN)CCC(C)(C)C[C@@H]1OCc1ccccc1 2263027702 JLVCAVNNJVHTPE-XTEPFMGCSA-N 437.624 5.659 30 10 IKEE C=CCCC1([C@@H](NCCC)c2ccc(Br)s2)CN(C(=O)OC(C)(C)C)C1 2266314522 FIIQUVPGIKYXSA-KRWDZBQOSA-N 443.451 5.755 30 10 IKEE Cc1c(OC(=O)c2ccccc2F)ccc2c1OC(=Cc1cn(C)c3ccccc13)C2=O 2296872079 RZDOLDJTKJQRIO-UHFFFAOYSA-N 427.431 5.461 30 10 IKEE CCOc1ccc(C=C2SC(=Nc3cc(Cl)ccc3OC)NC2=O)c2ccccc12 2297454009 GZOSVDOXKZIIKG-UHFFFAOYSA-N 438.936 5.792 30 10 IKEE COc1ccc(N2C(SC)=NC(=Nc3ccccc3C)C23CCC(C(C)(C)C)CC3)cc1 2297731203 LOEPTDISXDYMEV-UHFFFAOYSA-N 449.664 7.248 30 10 IKEE C=CCC(CC=C)[C@@H](NCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2316751372 CSXQAJYWGCWAEL-SHQCIBLASA-N 442.644 5.577 30 10 IKEE CCCCCOc1ccc(C=NNc2oc([C@H]3C[C@@H]3c3ccccc3)nc2C#N)cc1OC 2320837061 JFXKWLZLXMVNFS-RTWAWAEBSA-N 444.535 5.841 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OCc4ccc(Cl)cc4Cl)c3C)C2=O)c1 2321787322 UIEYWLBMUFNHGW-UHFFFAOYSA-N 425.311 6.805 30 10 IKEE Cc1c(OCc2ccc([N+](=O)[O-])cc2)ccc2c1OC(=Cc1cn(C)c3ccccc13)C2=O 2321851324 SCSHYSCUEMMPAL-UHFFFAOYSA-N 440.455 5.590 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc4c3CN(C[C@H](O)c3ccc(Cl)cc3)CO4)C2=O)c1 2322234294 NRPJSLXRSYEYMS-QFIPXVFZSA-N 447.918 5.150 30 10 IKEE CCc1ccc([C@@H](C)N2COc3ccc4c(c3C2)OC(=Cc2ccc(F)cc2)C4=O)cc1 2322259913 FYYDAHWHLMMJTR-QGZVFWFLSA-N 429.491 5.917 30 10 IKEE COc1ccc(C=C2Oc3c(cc4c(c3C)OCN(CCc3ccc(F)cc3)C4)C2=O)cc1 2322286689 IOCUZEOKBNBMDX-UHFFFAOYSA-N 445.490 5.154 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](C)NC(=O)C=Cc1ccc(Cl)cc1Cl 2323302837 GGPSWKCWTXAALL-QGZVFWFLSA-N 427.416 5.768 30 10 IKEE Cc1cc(OC(=O)Cc2ccc(Cl)c(Cl)c2)cc2c1C(=O)C(=Cc1ccco1)O2 2323419583 XWMPMCUBMARAQB-UHFFFAOYSA-N 429.255 5.659 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)c1 2323511130 ULAVQSMSDNOKAC-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(C)c2)cc(OC)c1OCc1cccc(F)c1 2323580044 JZYSUQNTHJFQOP-UHFFFAOYSA-N 446.518 6.355 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc2c(c1)OC(=Cc1cccc(Br)c1)C2=O 2323720534 GNWWSAHBTBLMCB-UHFFFAOYSA-N 449.300 5.604 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)NC3CCCCC3)c(Cl)c2)cc1 2323831418 IVPCLUSUEFEKMW-UHFFFAOYSA-N 441.955 5.463 30 10 IKEE C=CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(OC)cc2)C3=O)c1 2323854482 IMIWLCDPZCPEKO-UHFFFAOYSA-N 442.467 5.404 30 10 IKEE CCCOc1c(Cl)cc(C=NNc2nc(-c3ccccc3OC)cs2)cc1Cl 2323858360 MGTVIVMPWMKLED-UHFFFAOYSA-N 436.364 6.360 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)cc(OC)c1OCc1ccccc1 2324048407 YUUSETQBRPSOFA-UHFFFAOYSA-N 442.511 5.670 30 10 IKEE Cc1cccc(N2CCN(Cc3c(O)ccc4c3OC(=Cc3cccs3)C4=O)CC2)c1C 2324184735 KDLLBWBHRUVPOG-UHFFFAOYSA-N 446.572 5.009 30 10 IKEE COc1ccc(C=C2Oc3cc(OCCOc4ccccc4)cc(C)c3C2=O)cc1OC 2324220473 LUKWLMHONDUQQH-UHFFFAOYSA-N 432.472 5.086 30 10 IKEE Cc1ccccc1COc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1[N+](=O)[O-] 2324349258 VIDHHNPSAGBMQX-UHFFFAOYSA-N 429.516 6.612 30 10 IKEE CCCC[C@@H](Oc1cc(C)c2c(c1)OC(=Cc1ccc(Br)cc1)C2=O)C(=O)O 2324781194 OEWKCXAQYRDKET-QGZVFWFLSA-N 445.309 5.396 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3c(F)cccc3Cl)c2)cc1OC 2325703766 GUADNDDLUWZYHX-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)CC(C)C)c2)c(OCC)c1 2325762078 PKPYIYOARUZGKZ-UHFFFAOYSA-N 426.509 5.340 30 10 IKEE C=CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccc([N+](=O)[O-])cc1 2326927031 YRSDGGREUSUKTH-UHFFFAOYSA-N 437.569 5.106 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2cccc3ccccc23)n1N=Cc1cccnc1 2327716066 XCTINCJHKQNPAO-UHFFFAOYSA-N 449.583 5.900 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3F)n2N=Cc2ccccc2)c1 2329745744 VKUXKYSLFPHHLC-UHFFFAOYSA-N 430.552 5.799 30 10 IKEE Cc1ccc(C=CC(=O)Oc2cccc3c(NC(=O)c4cccc(C#N)c4)cccc23)cc1 2329745775 HHPGWUDVGUGPKS-UHFFFAOYSA-N 432.479 5.891 30 10 IKEE CCCSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1ccc(Br)cc1 2330122108 SDBRPBAZXSARFU-HNNXBMFYSA-N 429.387 5.577 30 10 IKEE Cc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccc(Cl)cc2)cc1 2330283113 BGQONIYAVMBVDX-UHFFFAOYSA-N 439.028 6.537 30 10 IKEE Cc1ccc(CSc2nnc(-c3cccs3)n2N=Cc2ccc(N(C)C)cc2)cc1 2330531016 TVRRJSLOEZRHPT-UHFFFAOYSA-N 433.606 5.556 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)CCCC4)cc2Cl)cc1 2330682834 GNFHZTRZBVLPCV-UHFFFAOYSA-N 444.958 6.571 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)cc(Cl)c1OC(=O)c1cccnc1 2330785988 IHCYDJKZSNKSOG-UHFFFAOYSA-N 437.879 5.258 30 10 IKEE CCCCC(=O)Oc1c(OC)cc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1OC 2330807449 IPGNAORMQZTKTG-UHFFFAOYSA-N 437.319 6.002 30 10 IKEE Cc1cccc(C)c1NC(=O)CSc1nnc(CC(C)(C)C)n1N=Cc1cccs1 2330835318 VPDOJQZQMPSXIM-UHFFFAOYSA-N 441.626 5.158 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3cccc(C)c3)c(OC)c2)cc1 2330951313 PDZOGQPDMBUVMA-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1 2331051171 AMPNQXBDLWZFPM-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)c2ccc(OCC(C)C)cc2)cc1 2331051603 POZZRLZMQKJWCU-UHFFFAOYSA-N 430.500 5.845 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)c(C)c3)c(Cl)c2)cc1 2331195596 NTLDYUDCCXZFFR-UHFFFAOYSA-N 434.919 6.471 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(Cl)cc3)c(Cl)c2)c1 2331319684 WWSSAQDZODGANI-UHFFFAOYSA-N 439.338 6.654 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc(O)cc1 2331412698 YGPSYEJELCOPJM-UHFFFAOYSA-N 435.380 5.763 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(F)c(F)c1F 2331535625 ZSUWMKFNSNWCHV-UHFFFAOYSA-N 444.380 5.757 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)[C@H](C)c3ccccc3)c(Cl)c2)c(C)c1 2331768893 YIXYQSXVIHOOSU-HXUWFJFHSA-N 432.947 6.870 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2ccc(OC(=O)c3cccc(C)c3)cc2)cc1Cl 2331804798 JFZUJMDNFPPTLP-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE CC1(C)OB(C=Cc2ccc(Nc3ccccc3I)nc2)OC1(C)C 2339539557 JVDMOOWPQDGABD-UHFFFAOYSA-N 448.113 5.074 30 10 IKEE C[C@@H](Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCN(Cc2ccccc2)C1 2339545454 WOEQDXBCBNCCNX-OFNKIYASSA-N 433.405 5.049 30 10 IKEE N#Cc1ccc(OCc2cc(I)ccc2Br)c(Cl)c1 2341780839 VREXBLDRTKSXNE-UHFFFAOYSA-N 448.485 5.158 30 10 IKEE N#C[C@@H](Nc1cccc(Br)c1)c1ccc(Cl)cc1I 2348279822 BNZCONHKZFTHFO-CQSZACIVSA-N 447.501 5.384 30 10 IKEE CC#CCN(C[C@@H](NCCC)c1cc(Cl)cc(Cl)c1Cl)C(=O)OC(C)(C)C 2363133432 RBACCIJELSUNES-QGZVFWFLSA-N 433.807 5.948 30 10 IKEE CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C)cc3)C2)[C@H]1c1ccc(C)cc1 8742782 BLSOHRQWVXXHHO-RNWIMVQKSA-N 436.555 6.224 30 10 IKEE C=C(C)COc1cccc(NC(=S)NC(=O)c2ccccc2OCCc2ccccc2)c1 10510497 QUNXMJIKEMODSK-UHFFFAOYSA-N 446.572 5.390 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3F)nn1[C@@H]2c1cccs1 17242664 HROHJEXCQGKFLP-LJQANCHMSA-N 440.569 5.429 30 10 IKEE COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(Cl)c2)c1 21244936 BRJPBJWJDBAXIO-DWXRJYCRSA-N 430.935 6.328 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(F)cc2)cc1 21255305 GKJYKKBNEZBCQD-XHCCPWGMSA-N 428.507 6.204 30 10 IKEE COc1cc(C(=O)/C(=C\c2ccc(F)cc2)c2nc3ccccc3o2)cc(OC)c1OC 33912136 YFCXOURGOFDMKA-LDADJPATSA-N 433.435 5.416 30 10 IKEE O=C(/C=C/c1ccccc1OC(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 34955085 IPFJIDDXGGIGBU-NTEUORMPSA-N 441.708 6.218 30 10 IKEE COc1cccc(/C=C2\S/C(=N/c3nc(C)cs3)N(c3ccccc3)C2=O)c1OC 39865469 LMAVLSLHMAXNAQ-FRYIGISESA-N 437.546 5.277 30 10 IKEE Cc1csc(/N=C2/S/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)N2C2CCCCC2)n1 39865631 RSDYICPEHWNQRH-XAEZOWLJSA-N 428.539 5.296 30 10 IKEE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)/C(=N/Nc3ccc(F)cc3)CCC4)c2n1 40823920 DTLBJINUFJTOFX-TWKHWXDSSA-N 443.478 5.955 30 10 IKEE COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OC(=O)/C=C/c1ccccc1Cl 40844616 URTFBKQLOUJHKB-ACCUITESSA-N 444.870 5.430 30 10 IKEE CC(C)(C)c1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccc(F)cc3)CO4)C2=O)cc1 41659122 FGIIFEPHGFSSFG-QFEZKATASA-N 443.518 6.092 30 10 IKEE C=C(C)COc1cccc(NCC(=O)Nc2cccc(C(=O)N[C@@H](C)c3ccccc3)c2)c1 66063147 WVBJJLKSDVRZPL-FQEVSTJZSA-N 443.547 5.183 30 10 IKEE CCCCCCCCCCCCCCCCNCc1ccc(OCCCCCCC)cc1 100023574 NLXCUTUWBMWJPZ-UHFFFAOYSA-N 445.776 9.607 30 10 IKEE CN1C(=O)C[C@@H](C(=O)Nc2ccccc2Cl)S/C1=N\c1cc(Cl)cc(Cl)c1 100263012 IRZMROUNKLKNKJ-YUCJCZDXSA-N 442.755 5.237 30 10 IKEE CCCCCCCn1c(CCCCCNC(=O)Cc2ccc(OC)cc2)nc2ccccc21 102177715 BESJRRZDIGJVKT-UHFFFAOYSA-N 449.639 6.087 30 10 IKEE CCCCCCCCOc1ccc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)cc1 102405417 DQVBMVAKVVDTEQ-FCDQGJHFSA-N 434.536 5.435 30 10 IKEE Cc1c(OC(=O)c2ccc(Cl)cc2)ccc2c1O/C(=C\c1cn(C)c3ccccc13)C2=O 103024688 XZAFPBFHOUMQDZ-QRVIBDJDSA-N 443.886 5.976 30 10 IKEE O=c1c(/C=N\Cc2ccc(Cl)cc2)c(C(F)(F)F)[nH]n1-c1nc2ccccc2s1 103145666 BABRVIJCSMJRKH-VROXFSQNSA-N 436.846 5.067 30 10 IKEE O=C(/C=C\Nc1ccc(I)cc1)c1ccc(-c2ccccc2)cc1 105508945 NZIJOIBOAYKOPO-PFONDFGASA-N 425.269 5.767 30 10 IKEE O=C1/C(=C\C=C\c2ccccc2[N+](=O)[O-])CCCC/C1=C\C=C/c1ccccc1[N+](=O)[O-] 108573646 UVZRGIGWZSLUIN-TWQCUEQUSA-N 430.460 6.226 30 10 IKEE N#C[C@H](Nc1ccc(Br)cc1)c1ncc(Br)cc1Br 135310376 UQPFTUXWRGMRIU-LBPRGKRZSA-N 445.940 5.046 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2cccc(F)c2)cc1 169921643 SLQDDEDJEAZKFL-HSZRJFAPSA-N 443.430 5.363 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)C)cc2)[C@H]1c1cccnc1 170002836 XTPIUCFQWQYENW-DEOSSOPVSA-N 442.515 5.305 30 10 IKEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1cccc2ccccc12)c1ccc(Cl)cc1 170044781 LFTURLDNIOONNH-WMZHIEFXSA-N 447.918 5.251 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C2CCCC2)c1 170121546 WRBICBRIRATAGV-DEOSSOPVSA-N 427.500 5.369 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2OC)cc1 170123807 JQECEMSGASEFCS-DEOSSOPVSA-N 449.547 5.395 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2ccccc2O)c1 170141325 ZQINNLISBWIKAE-VWLOTQADSA-N 435.479 5.637 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2ccccc2C)c1 170142873 VXATVXBLDIPBOW-VWLOTQADSA-N 441.527 5.874 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2cccs2)cc1C 170163613 UECRQYOQHGPSSH-QFIPXVFZSA-N 448.544 5.019 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccn2)ccc1OC(C)C 170169939 GQVBNTBOKQUBAC-QHCPKHFHSA-N 446.478 5.099 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2cccnc2)c1 170187331 FJQFNSXQVCUVTO-DEOSSOPVSA-N 442.515 5.269 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccc2)c1 170222648 NTCYHSSADPXYKH-QHCPKHFHSA-N 431.463 5.397 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@H]1c1ccc(Cl)cc1 170236799 FPURLHUMYZKTKB-JOCHJYFZSA-N 441.955 5.816 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(F)cc2)cc1C 170238355 IYIIHXMYXSJBBP-QHCPKHFHSA-N 449.453 5.455 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1ccc(Cl)c(Cl)c1 170246666 KOTDVEQDTYAPEH-ODXCJYRJSA-N 446.330 5.305 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2ccccc2)cc1 170265584 HBPGPTAFXZIHTR-SSOJOUAXSA-N 439.511 5.355 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@@H]1c1ccccc1C 170276597 LASRSRYJWHFFPF-QHCPKHFHSA-N 435.564 5.680 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccco1)c1ccc(Cl)c(Cl)c1 170286967 YZVGHLHMVCRMBJ-GOSISDBHSA-N 448.689 6.023 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccco2)c(C)c1 170289299 GFXJCBDRHXQSNF-HSZRJFAPSA-N 431.488 5.467 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@H]2c2ccc(C)o2)c1 170300614 PPKGHRODCVWDJA-DEOSSOPVSA-N 445.515 5.722 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@H]1c1c(C)[nH]c2ccccc12 170312410 FHBVHIONHHWSTL-HSZRJFAPSA-N 432.520 5.090 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1Cc1cccnc1 170316818 SLOLKNCAOFRSLH-OAQYLSRUSA-N 448.544 5.017 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)cc1 170326972 DXMXQNJHYWEENJ-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(OC)c(OC)c2)cc1 170391064 GWULYMJOEBYJCR-XMMPIXPASA-N 443.499 5.049 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1cccc(Oc2ccccc2)c1 170455985 DJFKTNWJLZPVGL-VWLOTQADSA-N 445.490 6.133 30 10 IKEE CC(C)C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1cccc(Oc2ccccc2)c1 170456328 KGGWNUNKLULHDS-HSZRJFAPSA-N 429.472 5.310 30 10 IKEE Cc1cc2sc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3cccs3)nc2cc1Cl 170478534 HJVVARPOHJZMLE-INIZCTEOSA-N 432.954 5.445 30 10 IKEE C=CCN1C(=O)/C(=C2\Sc3ccccc3N2CC)SC1=Nc1ccc([N+](=O)[O-])cc1 252609019 HPFLMCQXCXPFDO-YTGHUJMRSA-N 438.534 5.145 30 10 IKEE CCOc1cc(/C=C2\SC(=Nc3ccccc3)N(CC(C)C)C2=O)cc(Cl)c1O 252638274 YASOULSQRVOPLY-PNVGRYOSSA-N 430.957 5.704 30 10 IKEE CCC(C)(C)[C@@H]1CCc2sc3ncnc(NN=C/C=C/c4ccccc4OC)c3c2C1 254398965 OQMKVRXONMWMOV-NATJYRAYSA-N 434.609 6.352 30 10 IKEE Clc1ccccc1N=c1scc(-c2cc3ccccc3o2)n1N=Cc1ccncc1 254704496 ATSPXKCHBLZAMD-UHFFFAOYSA-N 430.920 6.126 30 10 IKEE N#Cc1ccc(-c2ccccc2Cl)nc1SCC(=O)Nc1cccc2ncccc12 261526848 NDFDAUCGQHAYDJ-UHFFFAOYSA-N 430.920 5.553 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@H]1CCCCN1C(=O)OC(C)(C)C 698428319 YUFXIMRRHODFBV-NLFFAJNJSA-N 443.588 5.808 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 698826442 FROFNRWYDNIWPQ-QHCPKHFHSA-N 434.561 6.329 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@@](C)(C#N)c1ccc(Br)cc1F 698872261 XNNMKTSYBAQPQM-FQEVSTJZSA-N 437.284 5.908 30 10 IKEE CCCCCCCCCC[C@H](N)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 707822401 CPHZBGLJLHKLHK-YFNKSVMNSA-N 434.665 6.343 30 10 IKEE C=CCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@H]1[C@H]1CCCCN1C(=O)OC(C)(C)C 710726848 SFMNOUXCLWPYHN-GLDPYIMESA-N 433.593 5.262 30 10 IKEE CC(C)(C)c1cc[n+](/C(C(=S)NC(C2CC2)C2CC2)=C(/O)c2ccc(C#N)cc2)cc1 762438524 IADQKLITXLVTBG-UHFFFAOYSA-O 432.613 5.133 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(Br)ccc1Cl 829347256 JQFXWMYKIWQUKN-SFHVURJKSA-N 435.749 6.417 30 10 IKEE O=S(=O)(NC1CCCCC1)c1ccc(N=Cc2c3ccccc3cc3ccccc23)cc1 1084189948 NLPWMYMNQDVACP-UHFFFAOYSA-N 442.584 6.355 30 10 IKEE O=C(Nc1cccc(F)c1)[C@H]1CC(=O)N(CCc2ccccc2)C(=Nc2ccccc2)S1 1084430697 AAUOTXVLTPDWGG-JOCHJYFZSA-N 447.535 5.029 30 10 IKEE CCOC(=O)/C(=C\Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C(=O)c1ccccc1 1088686236 RCDNWWFYABDERW-CJSSZYOBSA-N 444.918 5.737 30 10 IKEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N(C)Cc1nc(O)c2sccc2n1 1301140650 AECMMVLEGPEUNF-UHFFFAOYSA-N 448.596 5.203 30 10 IKEE C=CCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)c(C)s1)Cc1ccc(OC)cc1 1307423876 NZGMPLYWUYUUNG-UHFFFAOYSA-N 441.984 5.407 30 10 IKEE Cc1ccccc1/C=C1/S/C(=N/N=C/c2ccc(N(C)C)cc2)N(Cc2ccco2)C1=O 1615304847 MJHMVHFIVFHDLO-SZVVGYTGSA-N 444.560 5.161 30 10 IKEE CC(C)(C)c1ccc(/C=C2\SC(=NN=Cc3cccs3)N(Cc3ccco3)C2=O)cc1 1772758072 OMLNVWQJWLTZNF-FUUZEFQQSA-N 449.601 6.145 30 10 IKEE O=C1/C(=C/c2ccccc2O)SC(=NN=C/C=C/c2ccccc2)N1Cc1ccco1 1772759247 OHXAKHBGIKAREN-MMHIBIAXSA-N 429.501 5.157 30 10 IKEE Cc1sc2nc(-c3ccccn3)n(Cc3cccc(C#N)c3)c(=O)c2c1-c1ccccc1 1857804423 RTYYTUUAFQTBNX-UHFFFAOYSA-N 434.524 5.415 30 10 IKEE CCCCCCCCCNC(=O)[C@@H]1CC(=O)N(CCCC)[C@H]1c1cccc(OC)c1OC 1860319129 JHCHRBILQNKKGQ-QPPBQGQZSA-N 446.632 5.260 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1cccc(OCC)c1 1862384594 VXAQACSLXATKAW-IBGZPJMESA-N 434.319 5.380 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CC(C)C)cc1 1862452215 XKZZXNGEDSLSQP-QFIPXVFZSA-N 440.971 5.421 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc(O)c2)cc1 1862474452 NRKOGAPNJBCFLY-CJAUYULYSA-N 441.527 5.603 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2c(Cl)cccc2Cl)cc1 1862481387 DPNPSHWOMNJGHN-HXUWFJFHSA-N 442.298 5.673 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cc(Br)ccc1F 1862497059 APPQNEDHTVDWQG-LJQANCHMSA-N 446.316 5.193 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)cc1 1862535481 CWZBEHYBBKQSIV-QHCPKHFHSA-N 449.909 5.820 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2cccc(Cl)c2)cc1 1862556185 QLQQEKAUPYIQGI-QHCPKHFHSA-N 446.934 5.263 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C2CC2)c1 1862586516 VHJYNYWRIKHUSL-FQEVSTJZSA-N 446.330 5.523 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccccc1C 1862626045 SQCUUEBQJDBJNY-YADARESESA-N 449.547 5.661 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CC(C)C)ccc1O 1862669560 ZCJJICBVRSEEKW-HSZRJFAPSA-N 437.536 5.149 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccccc2F)c1 1862702479 DAMIRQSPESATQN-WAIKUNEKSA-N 431.463 5.174 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccc(F)c1 1862723669 CVLKDQKSDGICIR-XMMPIXPASA-N 445.490 5.108 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2C2CCCCCC2)c1 1862736347 INSXMOZHTKAXMR-QFIPXVFZSA-N 434.492 5.204 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1c(Cl)cccc1Cl 1862744274 LNIUPGCNWCJZQK-GOSISDBHSA-N 449.290 5.136 30 10 IKEE CC(C)(C)c1ccccc1NC1=C(c2cccs2)C(=O)N(c2ccccc2C#N)C1=O 1863120028 RUOWSFHJHDFTDC-UHFFFAOYSA-N 427.529 5.314 30 10 IKEE N#Cc1ccc(NC2=C(c3ccccc3Cl)C(=O)N(Cc3cccc(Cl)c3)C2=O)cc1 1863445672 GEOYPLONBWPBPF-UHFFFAOYSA-N 448.309 5.257 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1nc(-c2cccnc2)cs1 1866032134 CRNQOGNBPCDXAB-UHFFFAOYSA-N 443.701 8.405 30 10 IKEE Cn1nc(-c2ccccc2F)c(C#N)c1NC(=O)c1ccc(C(F)(F)C(C)(C)C)cc1 1866138702 IVMTVFVSUAUIKT-UHFFFAOYSA-N 426.442 5.488 30 10 IKEE N#Cc1cccc(NC(=O)[C@H](NC(=O)[C@H](c2ccc(Cl)cc2)C2CC2)c2ccccc2)c1 1867003053 ZXOWIOVRFYNUOQ-BJKOFHAPSA-N 443.934 5.201 30 10 IKEE COc1ccc2c(c1)CCN(c1cc(Nc3ccccc3C#N)nc(C(C)(C)C)n1)[C@@H]2C 1868351558 YMVDRMCLFWNNPD-QGZVFWFLSA-N 427.552 5.522 30 10 IKEE CCCCCCCOc1cn(CCc2ccc(OC)cc2)c(CN(CC)CC)cc1=O 1870411012 PLUPGOQFMKMFLE-UHFFFAOYSA-N 428.617 5.291 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCCCCCC)cn1CCCN(CC)CC 1870411560 FFHYSAXOOOMUFJ-UHFFFAOYSA-N 431.665 5.103 30 10 IKEE CCCCCCCOc1cn(Cc2ccncc2)c(CN2C[C@@H](C)C[C@H](C)C2)cc1=O 1870412725 HPQREKXPYLVAAT-VXKWHMMOSA-N 425.617 5.119 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2C)c(CN2C[C@H](C)O[C@@H](C)C2)cc1=O 1870412825 JVGYJSZOOFDAAZ-GOTSBHOMSA-N 440.628 5.163 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc(C)c2)cn1Cc1ccc(Cl)cc1 1870623374 IHQIMTXJLXTETG-UHFFFAOYSA-N 448.994 5.611 30 10 IKEE C=CCOc1cn(CCc2c[nH]c3ccccc23)c(CNc2cc(C)cc(C)c2)cc1=O 1870809141 OYPHFEOSSJHFKW-UHFFFAOYSA-N 427.548 5.366 30 10 IKEE C=CCn1cc(OCCOc2ccc(Cl)cc2)c(=O)cc1CNc1ccccc1CC 1870883126 MKRHCXWAIOWDBE-UHFFFAOYSA-N 438.955 5.320 30 10 IKEE C#CCOc1cn(CCC(C)C)c(CNc2ccc(OCc3ccccc3)cc2)cc1=O 1871009421 VBVDXCLASSWKMC-UHFFFAOYSA-N 430.548 5.098 30 10 IKEE C=CCn1cc(OCCOc2ccc(C)cc2)c(=O)cc1CNc1ccc(CCCC)cc1 1871213248 SPPYBHWKLLKJIW-UHFFFAOYSA-N 446.591 5.755 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc3c(c2C)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871370329 WJOIRWQTNNZJFI-AJRXITOCSA-N 426.468 5.460 30 10 IKEE Cc1cc(OC(=O)CCc2ccccc2)cc2c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O2 1871385929 UOJTYHUAAHBJGD-UQQQWYQISA-N 440.539 6.447 30 10 IKEE O=C1/C(=C/c2ccccc2)Oc2c1ccc(O)c2CN1CCC(Cc2ccccc2)CC1 1871395093 FUGYTVZEYOPVGI-ITYLOYPMSA-N 425.528 5.463 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(O[C@H](C)C(=O)Nc3ccc(F)cc3)cc(C)c2C1=O 1871403344 VXBFFOJBVSHKCK-GEYIUBJWSA-N 437.492 5.526 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccc(C)c(C)c3)ccc2C1=O 1871458652 FKFOITXKQQBQCB-QFEZKATASA-N 443.499 5.336 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cccc(C)c1)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 1872255138 SRXLGEDACTWLFQ-RUZDIDTESA-N 448.588 5.250 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccccc1CC)S(=O)(=O)c1ccc(C)cc1 1872469364 OSDFLSJAGRAPCO-DEOSSOPVSA-N 442.625 5.178 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(C(=O)OC)cc3)n2)cc1 1872769949 DTSQYRUFXBDIPJ-VGZTZGLTSA-N 446.528 5.275 30 10 IKEE CCCOc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)cc1 1872778296 IKTYARBYALIVCP-OAQYLSRUSA-N 434.561 5.643 30 10 IKEE COc1c(Cl)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)Cc2cc(C)ccc2C)n1 1872778407 KPLJOANCTRFICW-KRWDZBQOSA-N 445.371 6.161 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@@H](C#N)C(=O)c2ccc(OCC(C)C)cc2)n1 1872780393 HJHIRLNBBUBTIL-NRFANRHFSA-N 434.561 5.960 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@@H](C#N)C(=O)Cc2cccc3ccccc23)n1 1872783590 DIHMDRWIYKVREQ-FQEVSTJZSA-N 446.959 6.353 30 10 IKEE COc1ccc(CC(=O)[C@H](C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1 1872785346 LAEIHRJYLFIDIP-HNNXBMFYSA-N 447.343 5.553 30 10 IKEE Cc1cc(C)c(-c2csc([C@@H](C#N)C(=O)c3c(Cl)ccc(Cl)c3Cl)n2)c(C)c1 1872786877 VHDIOACYKCJWMF-ZDUSSCGKSA-N 449.790 7.186 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2Br)C(=O)N([C@H](C)CC)C1=O 1873071307 HTPNOUOQZBHEEJ-MRXNPFEDSA-N 435.406 5.278 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2cc(C)ccc2C)=C(c2cccnc2)C1=O 1873079537 RQQLUGNFXINZBF-UHFFFAOYSA-N 447.623 5.709 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(C(C)C)cc2)=C(c2cccnc2)C1=O 1873265704 XPFJPEYJVALMNE-UHFFFAOYSA-N 447.623 6.538 30 10 IKEE N#Cc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)C23CCCCC3)cc1 1873864585 PQZXBNHOZNSBIS-XMMPIXPASA-N 427.548 5.382 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccc(C(F)(F)F)cc3)c(=O)oc2c1C 1873942480 FKYZHPSNTBAZIF-UHFFFAOYSA-N 445.437 5.565 30 10 IKEE CCCOc1ccccc1/C=N/n1c(COc2ccc(CCC)cc2)nnc1SCC 1874257793 SXBOEENVHQUNSX-KOEQRZSOSA-N 438.597 5.593 30 10 IKEE CCCSc1nnc(CCOc2ccccc2)n1/N=C/c1ccc(Cl)cc1Cl 1874346824 IMBKJCPUZSFOMM-OEAKJJBVSA-N 435.380 5.591 30 10 IKEE Cc1ccc(/C=N/n2c(Cc3ccc(C)c(C)c3)nnc2SCc2ccccc2)cc1 1874358486 KFZIEEIBNVPTAS-WPWMEQJKSA-N 426.589 5.969 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccccc3Cl)n2/N=C/c2sccc2C)c1 1874366073 KAXVLYNTLNDKHD-ZMOGYAJESA-N 439.009 6.451 30 10 IKEE Fc1cccc(/C=N/n2c(CCc3cccs3)nnc2SCc2cccc(F)c2)c1 1874370355 VMRFIAYOWNSHJP-AFUMVMLFSA-N 440.544 5.578 30 10 IKEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3F)nnc2-c2ccccc2)cc1 1874425973 KNPXQXMETXSFLJ-CVKSISIWSA-N 445.523 5.006 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2cccs2)c1 1874426678 UOKVCWABUIVUDJ-ZVHZXABRSA-N 447.589 5.236 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(CC(C)(C)C)n2/N=C/c2ccccc2C)c(C)c1 1874441142 KEEIHLBSPOFKSA-CVKSISIWSA-N 449.624 5.405 30 10 IKEE O=[N+]([O-])c1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CCCC2)cc1 1874455609 ATQAUTXIQUAWER-YDZHTSKRSA-N 441.944 5.672 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccccc3F)nnc2C2CCCC2)c1OC 1874455714 HQMNDEOYZAYWLB-AFUMVMLFSA-N 440.544 5.267 30 10 IKEE FC(F)(F)c1nnc(SCc2ccccc2)n1/N=C/c1cccc(Br)c1 1874460036 HPXKGLFLKFPKGO-LSHDLFTRSA-N 441.276 5.234 30 10 IKEE Cc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2ccc(Cl)c(Cl)c2)cc1 1874492580 UQPNAKHGKSPRSG-WYMPLXKRSA-N 433.408 6.266 30 10 IKEE Cc1ccccc1COc1ccc(Cl)cc1/C=C/C(=O)c1cccc(Br)c1 1874576076 VSUCUKVTEMZDJE-PKNBQFBNSA-N 441.752 6.886 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(C(C)C)cc2)cc1 1874583747 DXILEZUFLAILSX-GXDHUFHOSA-N 447.962 6.685 30 10 IKEE CCc1ccc(NC(=O)COc2cccc(/C=C/C(=O)c3cc(Cl)ccc3OC)c2)cc1 1874601038 PODKWUROQAONLJ-UKTHLTGXSA-N 449.934 5.825 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OCC(=O)NC1CCCCC1 1874611664 PPWRZXKIROGWAG-XYOKQWHBSA-N 443.490 5.087 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OCc1c(F)cccc1Cl 1874613764 MAOLKYCFAJSWTD-BUHFOSPRSA-N 436.910 6.691 30 10 IKEE C=CCOc1c(OCC)cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1[N+](=O)[O-] 1874627987 HECGICMEVUEYJB-XNTDXEJSSA-N 445.471 6.247 30 10 IKEE COc1cccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)c2)c1 1874692678 SHSRCYUWJZKAIB-ACCUITESSA-N 431.444 5.038 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2F)c([N+](=O)[O-])c1)c1ccc2ccccc2c1 1875095268 IEIWKVXFZGZXFV-UKTHLTGXSA-N 441.414 6.002 30 10 IKEE Cc1ccsc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl 1875116869 WWVDYASHALBOAV-KRXBUXKQSA-N 427.865 5.733 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2)cc1 1875122727 JOFNRNLTTLHGPX-CAOOACKPSA-N 434.919 6.173 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cc(Cl)ccc2Cl)c([N+](=O)[O-])c1)c1ccccc1 1875127282 XGWZTBRQQVERMY-UXBLZVDNSA-N 442.254 6.017 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3Cl)c(Cl)c2)c1 1875139360 FFUUKMBHCXJMBS-PKNBQFBNSA-N 439.338 6.654 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1cccc(C)c1 1875149248 GKOQPVOKHABHDP-MHWRWJLKSA-N 442.555 6.807 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1ccc(CC)cc1 1875176283 ABZKBWZTOFUTKB-XNTDXEJSSA-N 428.528 6.380 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc([N+](=O)[O-])c1OC(=O)CC(C)C 1875183717 PKTPEQMAEJAUNH-CMDGGOBGSA-N 439.508 5.766 30 10 IKEE C=C1C[C@H]1CSC(C)(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1892320504 HDVSCNCOWTYTPX-AOMKIAJQSA-N 437.561 5.066 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CCCCCCCNC(=O)OC(C)(C)C)NCCC 1922060296 OFIICELDWJADGC-XMMPIXPASA-N 432.649 5.993 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(CC)CCCN(C(=O)OC(C)(C)C)C1 1922068882 MBQNTIGUEQOOEW-JYFHCDHNSA-N 430.633 5.555 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@H](CNC(=O)OC(C)(C)C)C1CCCC1)NCC 1922078925 AXNKUPUGRSLMDP-DNQXCXABSA-N 430.633 5.459 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2cccc(C)c2Br)c1 1927301885 GYVCBZDUVQESAA-GOSISDBHSA-N 431.330 5.773 30 10 IKEE C#CCCCCC[C@H](NC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997467929 BQDLJZCWHKYCST-JYFHCDHNSA-N 428.617 5.002 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@](C)(C#N)[C@@]1(C)CCN1C(=O)OC(C)(C)C 1999897938 QXIJICRKMKQWCL-DHIUTWEWSA-N 433.524 5.249 30 10 IKEE CCCCC#CC[C@H](NC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2024381129 VTLJTSQWQVMGCQ-OZXSUGGESA-N 428.617 5.002 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@H]1CC(C)(C)CN1C(=O)OC(C)(C)C 2033717043 JEQBRBFQWYXGHC-PMACEKPBSA-N 443.588 5.664 30 10 IKEE C=CCN(CC[C@@H](Cc1cccc(Cl)c1Br)NC)C(=O)OC(C)(C)C 2037965981 XDSHICZGTKLRNI-HNNXBMFYSA-N 431.802 5.046 30 10 IKEE CCCN[C@]1(C#N)CCC[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)[C@@H]1C 2055575946 ZVXCTENUPSKZDP-VCTRFXNDSA-N 432.656 5.071 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1N(C(=O)OC(C)(C)C)CCC12CCCC2 2058786598 MYNCMBCCRUWOTK-RPWUZVMVSA-N 442.644 5.697 30 10 IKEE CCc1nn([C@@H](c2ccc(C)c(F)c2F)C(C)(C)C)c(I)c1C#N 2079857334 ZJLKWYPWKYLMEN-INIZCTEOSA-N 443.279 5.144 30 10 IKEE Cc1ccc(Br)c(-c2c(C3CCCCC3)nn3c(Cl)c(C#N)cnc23)c1 2081424367 BIHPDMNTWTXEBC-UHFFFAOYSA-N 429.749 6.040 30 10 IKEE Cc1cnc(-c2c(C3CCCCC3)nn3c(Cl)c(C#N)cnc23)cc1Br 2081513155 UTSMCDKFGJRMSN-UHFFFAOYSA-N 430.737 5.435 30 10 IKEE C[C@H](Nc1cc(Br)c(C#N)cc1F)c1csc(NC(=O)OC(C)(C)C)n1 2114324222 IKVIYQXQJFLYPN-VIFPVBQESA-N 441.326 5.436 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CC12CCC(Nc1cc(Br)ccc1C#N)CC2 2158254264 UPEJXCVQFJKALB-FPPRHVDESA-N 434.378 5.206 30 10 IKEE CC(C)(C)OC(=O)NCc1ccc([C@@](C)(C#N)Nc2ccccc2Br)cc1 2187539778 CGMMURMZOBTANY-OAQYLSRUSA-N 430.346 5.325 30 10 IKEE C=CCC1([C@H](NCCC)c2cc(C)cc(Br)c2)CN(C(=O)OC(C)(C)C)C1 2190670872 OAWGWIAXAMBPHN-LJQANCHMSA-N 437.422 5.611 30 10 IKEE CC1(C)OB([C@]23C[C@H]2CCN(Cc2ccc(Cl)c(Br)c2F)C3)OC1(C)C 2194187555 YWCQCPWAXVNWNP-YJYMSZOUSA-N 444.581 5.300 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)[C@@H]1C[C@H]1c1ccccc1 2200291638 FDYWAJJRSNSHCR-SQGPQFPESA-N 427.342 5.886 30 10 IKEE CCCN[C@H](C#CP(C)(C)=O)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2225397401 DHOKQPLHVXSTHA-QGZVFWFLSA-N 443.322 5.420 30 10 IKEE CC(C)(C)OC(=O)N(C[C@H]1CCCO1)[C@H](C#N)c1sc(Cl)cc1Br 2250689018 UBPMNGGKPOYWOC-ZYHUDNBSSA-N 435.771 5.145 30 10 IKEE Cc1sc(C(=O)N(Cc2ccccc2)c2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2255607375 YNOKTTWXLPLNSD-UHFFFAOYSA-N 433.382 5.203 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cccc(Cl)c1Br 2259397663 ZYRXBJXFWKVNPN-DOTOQJQBSA-N 431.802 5.613 30 10 IKEE C=C(C)CCCC[C@@H](NCC)c1cc(I)ccc1Br 2271785860 RHUJWTLYWAYUGI-MRXNPFEDSA-N 436.175 5.841 30 10 IKEE C=C1C[C@H]1C[C@H](OCCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2276382129 WWSWZIFCVFKBAG-XCZPVHLTSA-N 443.587 6.217 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)c1sc(Cl)cc1Br 2288320332 LCFCNZPFIHLFFV-ZDUSSCGKSA-N 433.596 5.629 30 10 IKEE N[C@H](C#Cc1cccc(Br)c1)c1c(Cl)cc(Br)cc1Cl 2296230949 YOTMKJZJYMBLMP-CQSZACIVSA-N 433.958 5.570 30 10 IKEE CCN[C@@H](C#Cc1cccc(Br)c1)c1cc(CNC(=O)OC(C)(C)C)cs1 2296266989 NXYDRTRWOMFJFO-SFHVURJKSA-N 449.414 5.238 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(OC(=O)c4ccco4)c3C)C2=O)c2cc(OC)ccc21 2296602912 JERPKLSNTQTINY-UHFFFAOYSA-N 443.455 5.407 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)C(=C(O)c4ccco4)[C@@H]3c3ccc(F)cc3)sc2c1 2296776345 RBUCHGOSYOAKIV-FQEVSTJZSA-N 448.475 5.217 30 10 IKEE C=CCN1C(=O)C(=Cc2cccc(OCCCOc3ccc(C)cc3C)c2)SC1=S 2297624886 ZUKZFCNTYNMSAM-UHFFFAOYSA-N 439.602 5.539 30 10 IKEE COc1ccc([C@H](CNc2oc(C=Cc3ccc(F)cc3)nc2C#N)N2CCCCC2)cc1 2297679775 LCCACSIATSEXFO-DEOSSOPVSA-N 446.526 5.503 30 10 IKEE C=CC[C@@](C)(CC)[C@H](O)c1sc(Br)c(Br)c1Br 2304124228 BSVZJKUXVHRMGF-ZYHUDNBSSA-N 447.030 6.061 30 10 IKEE O=C1C(=Cc2cccc([N+](=O)[O-])c2)Oc2cc(OCc3c(Cl)cccc3Cl)ccc21 2314438529 WEYYQSZMUMNCQR-UHFFFAOYSA-N 442.254 6.097 30 10 IKEE COc1ccc(C=C2SC(=NN=Cc3ccccc3C)N(Cc3ccco3)C2=O)cc1 2314818656 INMRLSCSOQEVFM-UHFFFAOYSA-N 431.517 5.103 30 10 IKEE C=CCSc1nnc(C2CC2)n1N=Cc1ccc(OCc2ccccc2)c(OCC)c1 2320867785 XSICLUDVCKBSDE-UHFFFAOYSA-N 434.565 5.294 30 10 IKEE CC(C)Cc1nnc(S)n1N=Cc1cccc(OCc2c(Cl)cccc2Cl)c1 2321908055 MGMIUZPYVJPGML-UHFFFAOYSA-N 435.380 5.533 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc4c3CN(Cc3ccc(Cl)cc3)CO4)C2=O)cc1 2321957279 FUYQALFMSHWXFC-UHFFFAOYSA-N 431.919 5.871 30 10 IKEE CCCCCOc1ccc(C=Nn2c(S)nnc2COc2ccc(CCC)cc2)cc1 2322156445 BZPIJANYASITDY-UHFFFAOYSA-N 438.597 5.550 30 10 IKEE CCCCOc1ccccc1C=Nn1c(S)nnc1CCc1cccc2ccccc12 2322203211 PLCULHAUXJTWGZ-UHFFFAOYSA-N 430.577 5.566 30 10 IKEE CC(=O)c1c(C)oc(NC(=O)C=Cc2ccc(OCc3ccccc3Cl)cc2)c1C#N 2322328673 BPDOFXINZZVWCL-UHFFFAOYSA-N 434.879 5.547 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3cc(OC(=O)c4cccc(C)c4)ccc3C1=O)cn2C 2322880908 WZYFCTRYQQBXEP-UHFFFAOYSA-N 439.467 5.331 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCc3ccccc3F)ccc3ccccc23)c(OC)c1 2322904240 PGOZKNFMSCJVCM-UHFFFAOYSA-N 442.486 6.471 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(=O)c4ccc(F)c(F)c4F)cc(C)c3C2=O)c1 2323126819 GPTSQNYBTYIBFM-UHFFFAOYSA-N 440.373 5.256 30 10 IKEE COc1cc(C=NNc2nc(C)c(C)c(O)n2)ccc1OCc1ccc(Cl)c(Cl)c1 2323240084 BYPJAZKNKDFFAF-UHFFFAOYSA-N 447.322 5.139 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2cccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)c2)c1 2323259616 INDAXZDHTIVDFI-UHFFFAOYSA-N 441.571 6.451 30 10 IKEE Cc1ccc(COc2ccc(C=CC(=O)c3ccc(Br)cc3)cc2Cl)cc1 2323582512 BCQSNROMWCEIEV-UHFFFAOYSA-N 441.752 6.886 30 10 IKEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)C=Cc1ccc(Cl)c(Cl)c1 2323652892 NMMUOGWYXXFKIG-UHFFFAOYSA-N 441.443 6.158 30 10 IKEE CCOc1c(Br)cc(C=CC(=O)c2cccc(Br)c2)cc1OC 2323662169 CPVBCBBJQADVFX-UHFFFAOYSA-N 440.131 5.515 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2OC)ccc1OCC(=O)Nc1cccc(C)c1C 2323719497 YTDPBZUMJMAQHV-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE Cc1ccccc1COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1Br 2323721007 DDOQBGDRSHOEJE-UHFFFAOYSA-N 443.287 6.511 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OCC(=O)N[C@@H](C)c1ccccc1 2323813735 XPWLOIKWPACRFD-FQEVSTJZSA-N 429.516 5.238 30 10 IKEE CCOc1c(Br)cc(C=CC(=O)c2cc(C)ccc2C)cc1Br 2323944032 AFHIVPILYXVHQN-UHFFFAOYSA-N 438.159 6.123 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3cc(C)ccc3C)c(OC)c2)cc1Cl 2324623652 OVOXOODHVKQZML-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE CCOC(COc1ccc2c(c1C)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O)OCC 2324741619 AGBQKHGEKKPPQL-UHFFFAOYSA-N 444.527 6.056 30 10 IKEE CC(=O)c1cccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2cccs2)C3=O)c1 2324825985 WWNXCFBGQBNZGE-INIZCTEOSA-N 447.512 5.281 30 10 IKEE CCOc1ccccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1cccc(C)c1)C2=O 2324897057 YJFCTAPCILAEKP-UHFFFAOYSA-N 443.499 5.336 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1ccccc1)C2=O)Nc1cccc(C(F)(F)F)c1 2324900416 AZTPNKXAEQTRRR-UHFFFAOYSA-N 439.389 5.339 30 10 IKEE CCOc1c(C=Nn2cnnc2SCc2c(Cl)cccc2Cl)cccc1OC 2325666110 LHNAUTLOLJSWBC-UHFFFAOYSA-N 437.352 5.167 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)c2)cc1 2325705490 PCEBVRHTKJRZEP-UHFFFAOYSA-N 446.499 5.390 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccc(F)cc3F)c2)c1 2325706301 IKVYBUVGEDUKTN-UHFFFAOYSA-N 438.426 5.026 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1cccs1)C2=O)Nc1cccc2ccccc12 2325706892 RVJXBWWVAWLZDS-UHFFFAOYSA-N 427.481 5.535 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)[C@@H]3CCCO3)c2)cc1OCCC 2325726941 UEVIFMIMDNWFSP-DEOSSOPVSA-N 438.520 5.245 30 10 IKEE CSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccc(C(C)C)cc1 2325976094 UAVZVBYKDCVQSW-UHFFFAOYSA-N 428.989 5.671 30 10 IKEE CCOc1ccc(C=Nn2c(COc3cc(C)c(Cl)c(C)c3)nnc2SC)cc1 2326094450 GWCWWXLPHJJJSH-UHFFFAOYSA-N 430.961 5.130 30 10 IKEE C=CCSc1nnc(CCOc2ccccc2)n1N=Cc1c(Cl)cccc1Cl 2329208939 PFLZRJUWPYKFSO-UHFFFAOYSA-N 433.364 5.367 30 10 IKEE Fc1ccccc1CSc1nnc(COCc2ccccc2)n1N=Cc1cccs1 2329342925 GBQPTUPWUTXMKR-UHFFFAOYSA-N 438.553 5.370 30 10 IKEE Clc1ccccc1CSc1nnc(-c2ccccc2Cl)n1N=Cc1cccs1 2329587321 BYBLALFYJHSABL-UHFFFAOYSA-N 445.400 6.488 30 10 IKEE Cc1cccc(CSc2nnc([C@H](C)c3ccccc3)n2N=Cc2ccccc2F)c1 2330075706 JQLQXVVWZXZXLE-LJQANCHMSA-N 430.552 6.052 30 10 IKEE CSc1nnc(Cc2ccccc2)n1N=Cc1ccc(OCc2ccc(C)cc2)cc1 2330450673 QJALEQAWQRGSLB-UHFFFAOYSA-N 428.561 5.360 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4ccccc4c3)cc2)cc1[N+](=O)[O-] 2330653729 YPVDHDBWFBIMPL-UHFFFAOYSA-N 437.451 6.172 30 10 IKEE O=[N+]([O-])c1ccccc1C=Nn1c(SCc2ccc(Cl)cc2)nnc1-c1ccccc1 2330684896 CYVSQDMOYMJMAN-UHFFFAOYSA-N 449.923 5.681 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3ccncc3)c(OC)c2)cc1 2330824344 NGFRTUABWOKJDT-UHFFFAOYSA-N 449.934 6.202 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)C3CCC3)c(Br)c2)cc1 2330833344 WFPLPWSMWUDIDL-UHFFFAOYSA-N 441.365 6.393 30 10 IKEE CCc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2[C@@H]2CCCO2)cc1 2331007365 MDFWYDBOONIVDI-FQEVSTJZSA-N 444.963 5.659 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1OC 2331158040 DEFCIRPXENUQCF-UHFFFAOYSA-N 428.956 6.901 30 10 IKEE Cc1cc(OCC(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2Cl)ccc1Cl 2331165847 LEPTYRFVVFVNEZ-UHFFFAOYSA-N 441.310 6.182 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)CCc1ccc(CC)cc1 2331180313 WRPRVCZRKWJSCN-UHFFFAOYSA-N 428.528 6.082 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)c1cc(C)cc(C)c1 2331183461 NUSFWJLASZJYIP-UHFFFAOYSA-N 426.512 6.156 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cc(C)ccc3C)c(Cl)c2)cc1 2331195082 PDSIDOQINMYZQY-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3[N+](=O)[O-])c([N+](=O)[O-])c2)c(C)c1 2331225274 IEQVHQBANISOOB-UHFFFAOYSA-N 446.415 5.235 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)CCc1ccccc1 2331319316 FPGLPGRCLVHILM-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC(=O)[C@H](C)c1ccccc1 2331376954 OWDNONBFNAPYEB-LJQANCHMSA-N 430.500 5.617 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2C(C)(C)C)cc1 2331377307 IHHKYOKVGCTWJS-UHFFFAOYSA-N 436.625 6.237 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)cc3)c(OC)c2)cc1F 2331467317 CEMXECITLIAZLT-UHFFFAOYSA-N 438.426 5.026 30 10 IKEE Cc1cccc(C(=O)Oc2ccc(C=CC(=O)c3cccc4ccccc34)cc2Cl)c1 2331472804 WOIUOODWSGCHSS-UHFFFAOYSA-N 426.899 6.917 30 10 IKEE O=C(Cc1ccccc1Cl)Oc1ccc(C=CC(=O)c2ccc(F)cc2)cc1Cl 2331520980 VMOGINVZYKFTEZ-UHFFFAOYSA-N 429.274 6.177 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CSc3ccccc3)cc2)c(C)c1C 2331612344 KEMVUHMPWIQUAU-UHFFFAOYSA-N 432.541 5.906 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(SCc2c(F)cccc2Cl)nnc1C(C)C 2331716677 XXRRAYUVKLUDQB-UHFFFAOYSA-N 446.979 6.156 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)c1ccncc1 2331762584 QTXZMVWOPWMLPN-UHFFFAOYSA-N 435.907 5.784 30 10 IKEE C=CCOc1ccccc1C=C1C(=O)N(c2cccc3ccccc23)N=C1c1ccccc1 2332114268 KMFPLZYUIYXFSD-UHFFFAOYSA-N 430.507 6.239 30 10 IKEE CC1(C)OB(C=Cc2ccc(Nc3cccc(OCc4ccccc4)c3)nc2)OC1(C)C 2339585454 PLIQKASXKPCWPA-UHFFFAOYSA-N 428.341 6.049 30 10 IKEE CC[C@H](CN(CC)C(=O)OC(C)(C)C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339594641 XKUZXBSJOVKVFZ-JUWJPQTCSA-N 446.397 5.141 30 10 IKEE N#Cc1ccc(NCc2ccc(Cl)cc2I)cc1Br 2340974954 ASTXTZWCWJKNOY-UHFFFAOYSA-N 447.501 5.191 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Br)c(OCc2ccc(C#N)cc2Cl)c1 2344303838 RRHKGZVCFUPNTN-UHFFFAOYSA-N 437.721 5.900 30 10 IKEE CO[C@H](C#C[C@H](O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1)C1CCCC1 2369526533 LXDGCMDVVOSMIW-RBUKOAKNSA-N 438.362 5.038 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NC)c1c(C)c(C)c(Br)c(C)c1C 2372280196 TXMSFDJQBOLPDV-PXNSSMCTSA-N 437.422 5.250 30 10 IKEE Cc1cc(C)cc(NC(=S)N/N=C2\C(=O)N(Cc3cc(C)ccc3C)c3ccccc32)c1 3041753 FQNXLYQSQAUYDJ-COOPMVRXSA-N 442.588 5.158 30 10 IKEE Clc1cccc(-c2nc3cc(/N=C/c4c5ccccc5cc5ccccc45)ccc3o2)c1 3144706 MKUAKBVZWKWOKS-OCSSWDANSA-N 432.910 8.205 30 10 IKEE C=C(C)CN1C(=O)[C@@H](C)Oc2cc(NC(=O)CC(c3ccccc3)c3ccccc3)ccc21 12169599 JCYNBJOWFCWOAX-HXUWFJFHSA-N 440.543 5.537 30 10 IKEE CCSc1nc2n(n1)[C@H](c1cccc(Oc3ccccc3)c1)C1=C(CC(C)(C)CC1=O)N2 19645039 HSRHBQFDVIAOJK-JOCHJYFZSA-N 446.576 5.841 30 10 IKEE COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cccc([N+](=O)[O-])c1 20884338 DKCNZYWDMIEQFU-MRDQGFSESA-N 441.487 5.583 30 10 IKEE CC(C)(C)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)cc1 21220897 MOTWRDYFKMUVBU-WTYVLRPYSA-N 440.562 7.103 30 10 IKEE CCOC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CC[C@@](C#N)(c1ccccc1)C2 23317905 JYLIWRGJNUBFLL-RUZDIDTESA-N 436.577 5.394 30 10 IKEE Cc1ccc(-c2ccc(CCC(=O)NCc3ccco3)n2-c2ccc(CC#N)cc2)c(C)c1 23455051 LHCPFFMJPSMLJS-UHFFFAOYSA-N 437.543 5.669 30 10 IKEE N#Cc1c(NC(=O)/C=C\c2ccccc2)n(CCc2ccccc2)c2nc3ccccc3nc12 33475483 MMMFSHDBUXDRHK-NXVVXOECSA-N 443.510 5.351 30 10 IKEE C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCN(c5cc(Cl)ccc5C)CC4)[C@@H]3C[C@H]12 34367766 YQZIRLKEPCVJRH-BDTANJOSSA-N 443.031 5.085 30 10 IKEE biogenic Cc1ccc(-n2c(C)cc3c2CC(C)(C)C/C3=N\OC(=O)c2cccc([N+](=O)[O-])c2)cc1C 39853140 DROCTYFEWGUBKA-SLEBQGDGSA-N 445.519 5.844 30 10 IKEE COc1cccc(/C=C2\Oc3c(cc4c(c3C)OCN(CCc3ccc(F)cc3)C4)C2=O)c1 41587504 IHDYWPAKIJWKFI-CFRMEGHHSA-N 445.490 5.154 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc4c3CN([C@H](C)c3ccccc3)CO4)C2=O)c1OC 41660084 NGEWUWSFSNPXMS-SNNLMFDCSA-N 443.499 5.233 30 10 IKEE CCc1ccc([C@@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccccc4F)nn32)cc1 54641664 KDTQAMGMYSZAEE-JOCHJYFZSA-N 434.540 5.294 30 10 IKEE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(/C=N/N(c2ccccc2)c2ccccc2)c1C 59154165 DAJBPOCGLLRONV-YZSQISJMSA-N 441.491 5.578 30 10 IKEE C=C(C)COc1ccc(NCC(=O)Nc2cccc(NC(=O)CCc3ccccc3)c2)cc1 66062226 XBPZMSBFHLIIQO-UHFFFAOYSA-N 443.547 5.263 30 10 IKEE C=C(C)COc1ccc(NCC(=O)NCCCCCCCCCCCCCCCC)cc1 100083654 PRKPDHZUQGJTMZ-UHFFFAOYSA-N 444.704 7.651 30 10 IKEE CCCCCCCCCCn1c([C@H]2CC(=O)N(c3cccc(F)c3)C2)nc2ccccc21 101905002 IZHVMYBTDVKGNL-NRFANRHFSA-N 435.587 6.837 30 10 IKEE CCCCCCCCCn1c([C@H](C)NC(=O)Cc2ccc(OC)cc2)nc2ccccc21 102131402 SJHSOPIUAUQXNF-NRFANRHFSA-N 435.612 6.215 30 10 IKEE COc1cc(OC)cc(C(=O)/C(=C/c2ccccc2[N+](=O)[O-])c2nc3ccccc3o2)c1 102738208 NJGQVLWVLVSSBB-UYRXBGFRSA-N 430.416 5.177 30 10 IKEE CCCCCCCCOc1ccc(/C=C2\N=C(c3cc(Cl)ccc3OC)OC2=O)cc1 103345225 VDWQILURVVPFFS-JWGURIENSA-N 441.955 6.432 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)/C(=C\c1ccccc1C)NC(C)=O 105234439 SYPRWRPONFEPCB-SLEBQGDGSA-N 442.688 7.070 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@H]2c2cccnc2)cc1 170004690 GAQDGEWAGPBRQV-NRFANRHFSA-N 436.870 5.219 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2ccncc2)c1 170018823 IKBAGJRDGXTDJT-JOCHJYFZSA-N 432.907 5.443 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2cccc(C)c2)c1 170035846 RNMQEWYKUOYSIJ-DEOSSOPVSA-N 445.490 5.624 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2ccccc2)c1 170052346 CJHHSSUCNHQMQC-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(Cl)cc2)c1 170056774 HSOZAJWYNYDOHW-FQEVSTJZSA-N 439.920 5.189 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2cccc(O)c2)ccc1F 170081504 AAIOQKDERXBZGQ-NRFANRHFSA-N 437.854 5.276 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccc(Cl)cc2)[C@@H]1c1ccco1)c1cccc(Cl)c1 170096730 BLQDMOQTEJIITR-HXUWFJFHSA-N 442.298 5.407 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(C)o2)c1 170099596 VLOSZMWRCIVBBU-OAQYLSRUSA-N 437.879 5.423 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2sccc2C)c1 170105107 ROEJYHXKYGDVEC-HXUWFJFHSA-N 437.492 5.296 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)CCc2ccccc2)=C(O)C(=O)N1c1ccc(F)c(F)c1 170105605 JBYADYJDMJEQFA-OAQYLSRUSA-N 439.483 5.437 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@@H]1c1ccccc1OC(C)C 170151368 DGCNSKDJAAUWNC-QHCPKHFHSA-N 437.536 5.169 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccncc2)cc1C 170198322 XYLPYTYJJVQCAA-JOCHJYFZSA-N 448.544 5.019 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@H]1c1ccc(C(C)C)cc1 170246032 HLLNHFLPKQDQIK-RUZDIDTESA-N 449.591 6.204 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC(C)C)c3)[C@@H]2c2ccco2)c1 170278651 SUMDOFMWLIRJKJ-QHCPKHFHSA-N 447.487 5.106 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)cc(C)c3OC)[C@@H]2c2ccco2)cc1 170283245 ZAGMSEJDVQJXBK-QFIPXVFZSA-N 431.488 5.250 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]2c2ccco2)c1 170288202 PQICBRHWUGBISL-OAQYLSRUSA-N 437.879 5.423 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccco2)c1 170289285 ZCBGKJGIPYZERA-HSZRJFAPSA-N 431.488 5.468 30 10 IKEE CC(=O)Oc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)c(C)c2)c1 170408329 PUHKTLOADRCWLH-DEOSSOPVSA-N 441.483 5.012 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccccc1 170422652 PUVSLAGSJKRMJY-HXUWFJFHSA-N 439.298 5.167 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C(C)C)cc2)cc1OC 170433747 KSYZIDYKFYBFBJ-QHCPKHFHSA-N 447.487 5.203 30 10 IKEE CN1/C(=C2/SC(=Nc3ccc(O)cc3)N(C3CCCCC3)C2=O)Sc2ccccc21 254480324 XNSRHWITDVOZAE-JSYGVCDLSA-N 437.590 5.699 30 10 IKEE C[C@@H](NC(=O)CSc1nc2ccc(N=Cc3ccccc3O)cc2s1)c1ccccc1 254700657 JDVSIHZJXICDCV-MRXNPFEDSA-N 447.585 5.722 30 10 IKEE CSc1cccc(Nc2cc(Br)ccc2I)c1C#N 311732836 OXOIPIHALZJUSN-UHFFFAOYSA-N 445.123 5.391 30 10 IKEE CCCCCCCC[C@@H](NCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 406947563 ITXPIUPTCPCYBG-LJQANCHMSA-N 441.454 7.197 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccncc2)c1 526515415 IHHCZBWSVXYAOF-XMMPIXPASA-N 425.488 5.189 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccc(Cl)cc2)cc1 526805744 RDQCXJMOLAPOQQ-QQXSKIMKSA-N 432.980 6.005 30 10 IKEE O=C(Cc1ccc(Cl)cc1)Sc1nc2ccc(N=Cc3ccc(F)cc3)cc2s1 1084117778 STDHEDDBFBGXEH-UHFFFAOYSA-N 440.952 6.701 30 10 IKEE COc1cc(C=Nc2cc(C)c(C)c([N+](=O)[O-])c2)ccc1OCc1cccc(C(=O)O)c1 1084289460 KTOFYEFTWXQBSU-UHFFFAOYSA-N 434.448 5.248 30 10 IKEE O=C(NCc1ccccc1)c1c(N=Cc2ccc(Br)o2)sc2c1CCCC2 1084626958 MZNKDSQBDXWOFM-UHFFFAOYSA-N 443.366 5.663 30 10 IKEE CCCCCCCCCCCCSc1cc(NC(C)=O)c2ncccc2c1[N+](=O)[O-] 1616047420 IESOMJSIUJCCQS-UHFFFAOYSA-N 431.602 7.114 30 10 IKEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](C(C)(C)C)C1 1740847612 OLCJUJGXWOCTRV-KRWDZBQOSA-N 434.588 5.069 30 10 IKEE Cc1ccc(C(=O)ON=C2C[C@@]3(C(=O)Nc4ccccc4[N+](=O)[O-])CC[C@@]2(C)C3(C)C)cc1 1772722549 JCSLHBGXGIZUBP-JWQCQUIFSA-N 449.507 5.271 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=Nc1nnc(C)s1 1772738212 NOLFXQXHTDVPIV-BNCGLULESA-N 442.953 5.550 30 10 IKEE C=CCN(C(=O)/C=C/c1ccc(OCc2ccccc2)cc1)[C@H](C)CCc1ccccc1 1860036696 HZGFDETYKZFTMN-AXCOVZPISA-N 425.572 6.315 30 10 IKEE CC(C)(C)c1csc(NC(=O)C2CCN(C(=O)c3cccc(Cl)c3)CC2)c1C#N 1860629330 GUUSUKPFJXSVPI-UHFFFAOYSA-N 429.973 5.062 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CC)NC(=O)CCCOc1cc(C)c(Cl)c(C)c1 1861702861 YGMZONVJFDKUNQ-OAQYLSRUSA-N 439.040 5.487 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(C(C)(C)C)cc2)n(Cc2ccc(Cl)cc2)n1 1862365772 DAZZDWSETHDNMN-UHFFFAOYSA-N 448.010 6.364 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2cccc(O)c2)cc1 1862390279 ZKIPQYWLQANWBC-VWLOTQADSA-N 441.527 5.513 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccc(O)c(OCC)c2)cc1 1862396162 BPXCXPUHNCGEMP-HSZRJFAPSA-N 437.536 5.120 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(F)cc1F 1862403076 NUEQFCVFNFBTIR-NRFANRHFSA-N 429.463 5.050 30 10 IKEE CCN(CC)CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccccc1 1862429125 GJEOYCZMKIQQOE-QFIPXVFZSA-N 440.971 5.040 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2cc(C)ccc2C)c1 1862429259 JGBLDVKJRYPKKC-XMMPIXPASA-N 445.946 6.044 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccc(F)cc2)c1 1862429738 UBGTZMJHYBPCEE-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C(C)C)cc1OCC 1862439167 VZOJIENMOANANC-OAQYLSRUSA-N 443.927 5.124 30 10 IKEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccccc2)cc1 1862441888 NOYSWOROIQFNGJ-HJPURHCSSA-N 447.918 5.688 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2ccccc2Cl)cc1 1862476808 OSCSXUGGHRGEJA-OAQYLSRUSA-N 437.948 5.531 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1862477564 ZFUMQFIGBASWDN-CVDCTZTESA-N 437.536 5.343 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1O 1862480732 NGEHEMBKCUJZOY-BXKMTCNYSA-N 443.499 5.049 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cc(Br)ccc1F 1862484316 LXGPTWFXWWPASO-IBGZPJMESA-N 446.316 5.275 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccccc2[N+](=O)[O-])c1 1862492188 LLUVQPOSSBXJLO-HCLVMJGWSA-N 448.519 5.369 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2cccc(Cl)c2)c1 1862503427 XIZMYWPJIZMXHY-QHCPKHFHSA-N 449.909 5.874 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2ccccc2Br)cc1 1862540011 DCWKBORCYNHFLO-XOBRGWDASA-N 442.353 5.388 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2C2CC2)cc1OCC 1862541048 BRUWUXFHENNYRD-DEOSSOPVSA-N 449.547 5.177 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(F)cc1F 1862560838 NBPHZCSIVBSLGS-JOCHJYFZSA-N 442.506 5.486 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C2CCCC2)cc1 1862599268 BCPWDXSIDVITIX-HSZRJFAPSA-N 435.520 5.092 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(C(C)(C)C)cc2)=C(O)C(=O)N1CCCCCO 1862612840 BBZYNPFFGXZXFQ-HSZRJFAPSA-N 435.564 5.033 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccc(F)cc2)cc1F 1862638954 NRPUFBYMHWMVPD-CMJOXMDJSA-N 449.453 5.313 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc([N+](=O)[O-])c1 1862654246 KMLLXSFGJYGJJO-QHCPKHFHSA-N 444.487 5.517 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862655736 OKYRWVSTJORNAG-AVRWGWEMSA-N 443.543 6.005 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(Cl)c(Cl)c1 1862658200 NWSGMELASZSKSS-FQEVSTJZSA-N 426.299 5.745 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCc2ccccc2)c1 1862675017 ZSTFXURAHWTPKL-XMMPIXPASA-N 429.491 5.345 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccccc1Cl 1862689197 KOGDRHQAHRWTFM-OAQYLSRUSA-N 427.928 5.507 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccccc2)c1 1862698280 FNPWWQBKRAFTFA-JOCHJYFZSA-N 433.891 5.127 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2ccccc2C)c1 1862699389 UKLMOYRQWIATPO-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1C 1862712876 BOEWTOHPKLFBID-DEOSSOPVSA-N 429.516 5.153 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccc(F)c1 1862723902 HFUWIQZCHNPYFJ-DEOSSOPVSA-N 429.491 5.727 30 10 IKEE CC(C)c1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(Cl)cc3)C2=O)cc1 1862796958 CGYSKXAOYSREIV-UHFFFAOYSA-N 441.918 5.732 30 10 IKEE CSc1cccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3ccccc3C#N)C2=O)c1 1862804291 AVUQWBXEWUJGAP-UHFFFAOYSA-N 445.931 5.330 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc3ccccc23)=C(c2ccc(F)cc2)C1=O 1863142847 QDPHTFKSJYYVBY-UHFFFAOYSA-N 444.550 6.531 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1cc(Cl)ccc1Cl 1866030105 ZJENHGHJIHHVQH-UHFFFAOYSA-N 428.488 9.193 30 10 IKEE Cc1ccc(-n2nnc(C#N)c2NC(=O)/C(=C\c2ccccc2)c2ccccc2)cc1Cl 1870142682 UJOFXKBCMBFSFF-STZFKDTASA-N 439.906 5.280 30 10 IKEE CCCCCCCOc1cn(CCCOC(C)C)c(CSc2ccc(C)cc2)cc1=O 1870251971 ZHSJHWKXIHKZPI-UHFFFAOYSA-N 445.669 6.613 30 10 IKEE CCCCCCCOc1cn(CCC)c(CNc2ccc(Oc3ccccc3)cc2)cc1=O 1870831570 FKLNMMNJACVPMR-UHFFFAOYSA-N 448.607 7.012 30 10 IKEE C=CCn1cc(OCCOc2ccc(OC)cc2)c(=O)cc1CNc1ccccc1C(C)C 1870884567 GTZHQXDRJWLWOR-UHFFFAOYSA-N 448.563 5.236 30 10 IKEE CCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(C(C)(C)C)cc1 1871251180 RLFMUXKHCNVUCH-UHFFFAOYSA-N 443.591 6.009 30 10 IKEE Cc1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2cn(C)c4ccccc24)C3=O)cc1 1871366442 FXPSFHDANNTXCG-DLTKUIBBSA-N 449.506 6.030 30 10 IKEE CC(C)=C1Oc2cc(OC(=O)c3ccccc3C(=O)c3ccc(Cl)cc3)ccc2C1=O 1871373275 VJGDTARFQMKMCS-UHFFFAOYSA-N 432.859 5.659 30 10 IKEE CCOc1ccc(CC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(OC)c2)C3=O)cc1 1871375612 UYGQRYCECZKDFD-OYKKKHCWSA-N 444.483 5.167 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(C(F)(F)F)cc4)c3C)C2=O)cc1 1871376070 RJYZFJPVIKVDLW-BKUYFWCQSA-N 438.401 6.158 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 1871431386 XKJJLGPTADFAIU-ULJHMMPZSA-N 449.591 5.936 30 10 IKEE COc1ccc(-c2c(C)c3ccc(OCc4ccccc4C#N)cc3oc2=O)cc1OC 1871437413 WMCPCGBLRTYHDG-UHFFFAOYSA-N 427.456 5.236 30 10 IKEE CCOc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2cccs2)C3=O)cc1 1871452391 OCGMNAYPJAFPBY-BKUYFWCQSA-N 435.501 5.089 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)c1 1871460590 UYAUCHPNTHEXQP-FMCGGJTJSA-N 447.918 5.899 30 10 IKEE C=CCN(CC=C)c1nc(=NCCCCCCCCCC)[nH]c(=Nc2ccccc2C)[nH]1 1871484441 KTJNUTXCHBJYMX-UHFFFAOYSA-N 436.648 5.498 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(Cl)cc2C)[nH]c(N2CCC(C)CC2)n1 1871568216 VOQPGFGTRHSPIV-UHFFFAOYSA-N 445.055 6.008 30 10 IKEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1871762343 ZOZCFRMQNDTGJT-QHCPKHFHSA-N 442.625 5.150 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)c(Cl)c1)[C@H](C)CC)S(=O)(=O)CCCC 1871810422 FQIOZILCEXMTSW-OXQOHEQNSA-N 429.026 5.010 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1 1871894696 AMNFMZMCPXEBFF-JOCHJYFZSA-N 449.016 5.331 30 10 IKEE C=CCN([C@H](C(=O)Nc1cccc(C)c1)c1ccccc1)S(=O)(=O)c1ccc(C)c(C)c1 1872255524 VBBXKGJLGSKSJS-VWLOTQADSA-N 448.588 5.169 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3c(C)ccc(C)c3C)n2)cc1OC 1872760932 BEOQANGJIILHRS-SFHVURJKSA-N 436.533 5.008 30 10 IKEE N#C[C@H](C(=O)CCc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872762315 JFBTZWBYSRJAIA-MRXNPFEDSA-N 435.763 6.579 30 10 IKEE CC(C)c1ccccc1O[C@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(F)cc2F)cs1 1872766418 GJSWXCBDRKYAJN-KDOFPFPSSA-N 426.488 5.855 30 10 IKEE N#C[C@H](C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc3ccccc23)cs1 1872774902 FOBZFDGYJWQHGA-QYFOZDBKSA-N 425.469 5.761 30 10 IKEE CCOc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)cc1 1872786173 ZVXAYACCTBDZDH-QGZVFWFLSA-N 426.925 5.290 30 10 IKEE Cc1cc(C)c(-c2csc([C@@H](C#N)C(=O)CCCOc3c(C)cccc3C)n2)c(C)c1 1872786538 MSQUDHKELJCEGB-NRFANRHFSA-N 432.589 6.388 30 10 IKEE C=CCc1ccccc1OCc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 1872870860 VQHIOUPONFCOPO-UHFFFAOYSA-N 440.587 5.573 30 10 IKEE O=c1c(Br)c(N/N=C/[C@H]2CC=CCC2)cnn1-c1ccc(Cl)c(Cl)c1 1873528771 GYYTZKIJBKIPOU-PQDFQZGZSA-N 442.144 5.056 30 10 IKEE CCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccc(C(C)C)cc1 1874245224 ZIISWIBQKIIAEM-WPWMEQJKSA-N 436.669 6.545 30 10 IKEE C=C(C)CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1ccc(C(C)C)cc1 1874297049 IIVDEOYODQZXCJ-ZVHZXABRSA-N 435.553 5.451 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccc(C)cc3)n2/N=C/c2ccncc2)cc1 1874302263 PGAZKCVDGSWKGT-WPWMEQJKSA-N 443.576 5.146 30 10 IKEE CCCSc1nnc(Cc2ccc(OCC)cc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874304415 XQORQRJHRRGVLS-NLRVBDNBSA-N 436.625 5.949 30 10 IKEE C=C(C)CSc1nnc(COCc2ccccc2)n1/N=C/c1ccccc1OC(C)C 1874355624 SYFGXRMBOILNCI-AFUMVMLFSA-N 436.581 5.333 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3cccs3)n2/N=C/c2cccnc2)c1 1874371228 PDCCZSWVRCREIX-MFKUBSTISA-N 433.606 5.311 30 10 IKEE CCCCOc1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCC)cc1OC 1874379978 ABUPSDPVHXUVCD-PCLIKHOPSA-N 442.560 5.190 30 10 IKEE COc1ccccc1/C=N/n1c(COc2ccccc2)nnc1SCc1ccccc1 1874384375 MLIKOOVBHIWFRR-PCLIKHOPSA-N 430.533 5.040 30 10 IKEE Cc1ccccc1CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1ccc(F)cc1 1874392719 SFPWNCDCZJOICU-FQNOVECQSA-N 430.552 6.052 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccccc3F)nnc2[C@H](C)c2ccccc2)cc1 1874395340 KESYOIPTCMPRII-AXNZHVIBSA-N 446.551 5.752 30 10 IKEE CCOc1cccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2cccc(C)c2)c1 1874415763 GYDIBTIZUJWBQB-OVVQPSECSA-N 442.588 5.751 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2cc(C)ccc2C)nnc1C(F)(F)F 1874461376 KMPBRZXWCBEYDW-LGJNPRDNSA-N 446.498 5.653 30 10 IKEE Cc1ccccc1CSc1nnc(C(C)(C)C)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874483513 ZPWICJGYTTXECH-FSJBWODESA-N 443.960 5.620 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccccc1Cl 1874527743 DFBULXCILJHYTI-LSHDLFTRSA-N 425.772 5.975 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cc(Br)ccc2OCC(=O)OCC(C)C)c1 1874580651 YZRJNIJSAOXXKW-VQHVLOKHSA-N 445.353 5.540 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)cc1C 1874588244 XPMYUCYJWWFFMU-RMKNXTFCSA-N 445.773 7.739 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)cc1C 1874593293 CDYMERBSHPJXJO-IZZDOVSWSA-N 433.460 5.396 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OC(=O)COc1ccc(C)c(C)c1 1874701310 LRFKBXIUIUFHIL-XYOKQWHBSA-N 444.527 5.809 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(F)cc3F)c2)cc1F 1874707106 OIQCTDDGHWIDKK-WEVVVXLNSA-N 426.390 5.157 30 10 IKEE COc1cccc(C(=O)Oc2cc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)ccc2OC)c1 1874711818 IWBAALFGMVFAMA-ZRDIBKRKSA-N 444.527 6.053 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(Cl)cc2)CSc2nnc(CCC)n21 1874863351 SODZDMSBRNCUHI-IBGZPJMESA-N 435.037 5.946 30 10 IKEE CCCCCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1OC 1875085283 YFOGBBJANKNIQM-OUKQBFOZSA-N 441.480 5.384 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)CC(C)(C)C)c(OC)c2)cc1 1875106533 DFOAZWVPLBAXKA-NTCAYCPXSA-N 438.564 6.284 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)[C@@H]1CCCO1 1875111865 NPOKGYMGJKHNAJ-YXBWYFRISA-N 435.303 5.373 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3cccc(Cl)c3)cc2)cc1 1875123135 CACSRTIANLKLCX-SFQUDFHCSA-N 448.946 6.563 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)CCCSC 1875140363 BZUHKHNVVJONQS-ZHACJKMWSA-N 446.996 6.300 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)ccc1OC(=O)Cc1ccc(C)cc1 1875152041 KAMOAEGDLFQMIG-FMIVXFBMSA-N 448.490 5.586 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OC(=O)c1ccco1 1875160440 QKMCBOFCWJUQTK-DHZHZOJOSA-N 434.488 5.710 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)c1C 1875168835 WUCGKLIKGVHFEH-SAPNQHFASA-N 434.535 7.189 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N1CCc3ccccc3C1)n2CCC 1875205583 VXIZYIDKADJGRX-UHFFFAOYSA-N 447.627 5.812 30 10 IKEE Cc1c(S)c(C)c(CN2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1C#C[Si](C)(C)C 1887514472 FKGHVKDKKHWEOD-UHFFFAOYSA-N 446.733 5.182 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@H]2CCCCN2C(=O)OC(C)(C)C)cc1 1944735899 IIPPSPLHGMUWNA-PMACEKPBSA-N 429.561 5.418 30 10 IKEE CN(CC[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1)C(=O)OC(C)(C)C 1980080706 PMGPUOXLLBBLAY-QFIPXVFZSA-N 437.968 5.621 30 10 IKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCN(C(=O)OC(C)(C)C)C12CCCC2 2024623876 KGYCZSVKRGODFT-KOSHJBKYSA-N 435.609 5.628 30 10 IKEE CC1(NC(=O)OC(C)(C)C)CCC(C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)CC1 2027793635 OBQOLBQCLQAYOX-UHFFFAOYSA-N 447.551 5.687 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H](C(C)C)N(Cc3ccccc3)C2)c1 2029764088 OCXHXIMYQWGPNC-IGKIAQTJSA-N 433.596 5.929 30 10 IKEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)C1 2034818617 PGRIHTATHQPXDH-JCYYIGJDSA-N 431.668 6.365 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@@]1(C#N)CCN(Cc2ccccc2)CC1(C)C 2037436017 YJCJILFRMFLHIM-AREMUKBSSA-N 437.559 5.762 30 10 IKEE CC[C@@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)CN1C(=O)OC(C)(C)C 2040670194 GHVVZZIYHBBIGV-KOSHJBKYSA-N 447.551 5.639 30 10 IKEE Cn1c(=O)c(C(=O)C=Cc2ccccc2)c(-c2ccccc2)c2cc(Br)ccc21 2041623946 TZAOISQLDLBPLV-UHFFFAOYSA-N 444.328 5.864 30 10 IKEE C=C(C)C[C@H](NCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071352241 ZEXXFBPMOLTREB-LSYYVWMOSA-N 431.576 5.822 30 10 IKEE C[C@@H]1CCC[C@@]1(C#N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071352569 ALUOVKBSAQQLPB-FQNJNTOFSA-N 427.544 6.208 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2076318626 PVGRDUIBJOFYIG-OSPHWJPCSA-N 447.551 5.497 30 10 IKEE CC(C)[C@@H](c1ccc(C2CC2)cc1)n1nc(C2(C)CC2)c(C#N)c1I 2079043230 YDISKHMGFWIICC-SFHVURJKSA-N 445.348 5.534 30 10 IKEE CC(C)(C)[C@@H](c1ccc(C2CC2)cc1)n1nc(C(F)(F)F)c(C#N)c1Br 2079086944 CIDXMCGJCKZDKN-MRXNPFEDSA-N 426.280 6.049 30 10 IKEE CC(C)(C)[C@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)(F)F)c(C=O)c1Cl 2079847281 QDXYPNBVBRXWQW-ZDUSSCGKSA-N 430.751 6.161 30 10 IKEE C[C@@H](c1ccc(C2CCC2)cc1)n1nc(C2CCC2)c(C=NO)c1I 2079972391 UOPXRIRXWSSLIS-ZDUSSCGKSA-N 449.336 5.440 30 10 IKEE COc1ccc([C@H](n2nc(C(C)C)c(C=NO)c2Br)C(C)(C)C)cc1F 2080106016 RVYFQWJIVHCTHE-KRWDZBQOSA-N 426.330 5.360 30 10 IKEE N#Cc1c(C2CCCC2)nn(Cc2ccc(C(F)(F)F)c(Br)c2)c1Cl 2080377205 UQHRTRFISNGNGE-UHFFFAOYSA-N 432.671 5.895 30 10 IKEE Oc1c2c(nc3c(-c4ccc(F)cc4C(F)(F)F)c(C(F)(F)F)nn13)CCCCC2 2081274544 UICRAQPJRHCGAW-UHFFFAOYSA-N 433.327 5.548 30 10 IKEE CCCn1c(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)c(C)s2)nc2ccccc21 2084270781 XFMJYNZQRVFZBZ-SFHVURJKSA-N 446.601 5.847 30 10 IKEE Cn1ccnc1SCC(=O)[C@@H](C#N)c1nc(-c2ccccc2)c(-c2ccccc2)s1 2084270821 PWJKZXGLOLCQID-GOSISDBHSA-N 430.558 5.179 30 10 IKEE CCc1cc(Br)c([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(C)cc2)s1 2089744677 ZZGJTDNEKICSSD-KRWDZBQOSA-N 435.387 6.388 30 10 IKEE C=CCN(C[C@@H](NCCC)c1ccc(Cl)c(Br)c1F)C(=O)OC(C)(C)C 2097184394 QPCSWEQZAWFONY-OAHLLOKOSA-N 449.792 5.705 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](Cc2ccc(Cl)cc2Br)NC)C1 2126686223 YHAHJBGIVDPCNQ-KRWDZBQOSA-N 443.813 5.094 30 10 IKEE C#Cc1ccccc1CNCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134726960 ASWAAPNUFZAHBP-UHFFFAOYSA-N 433.551 6.116 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(C)c(Br)cc1C 2136376028 BESNBXYSOBYCFD-MOPGFXCFSA-N 425.411 5.576 30 10 IKEE C=C([C@H](NCCC)c1ccc(Br)cc1I)C(C)(C)C 2142284490 DBQUXPTVNSONAI-HNNXBMFYSA-N 436.175 5.697 30 10 IKEE CN(Cc1ccccc1CNc1ccc(C#N)cc1Br)C(=O)OC(C)(C)C 2162379595 LZLMONUCLXGURY-UHFFFAOYSA-N 430.346 5.300 30 10 IKEE CCN(Cc1cccc(Nc2ccc(Br)cc2C#N)c1)C(=O)OC(C)(C)C 2162424493 ZZSUVGZGXICMDB-UHFFFAOYSA-N 430.346 5.821 30 10 IKEE C[C@@H](CC1CCN(c2cccc(Br)c2C#N)CC1)N(C)C(=O)OC(C)(C)C 2203596163 UGZCJFAEOIYUGI-HNNXBMFYSA-N 436.394 5.183 30 10 IKEE C=CCN(CC[C@@H](NC)c1cc(Br)cc(C(C)C)c1)C(=O)OC(C)(C)C 2266001742 FNHHMQGEEWOHPK-LJQANCHMSA-N 425.411 5.646 30 10 IKEE C=CCCC1(C(=O)Nc2cccc(Cl)c2Br)CN(C(=O)OC(C)(C)C)C1 2266307789 LYPUQMKMYVTTGQ-UHFFFAOYSA-N 443.769 5.244 30 10 IKEE C[C@@H](N(Cc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1)C(C)(C)C 2266975941 ABKNOKDWOGYIIU-GOSISDBHSA-N 439.380 5.202 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(F)cc(Br)c1F 2272737325 BYBZWEGMZKELPW-DOTOQJQBSA-N 433.337 5.237 30 10 IKEE CN(CC[C@H](Nc1cc(Br)cc(F)c1C#N)C(C)(C)C)C(=O)OC(C)(C)C 2296007083 WAJJXMAAPJGCHV-KRWDZBQOSA-N 442.373 5.543 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)C1(NC(=O)OC(C)(C)C)CCCCC1 2296308842 NJKLDGMAAHOUKC-IBGZPJMESA-N 435.406 5.006 30 10 IKEE C[C@@H]1Oc2ccccc2C=C1C=C1Oc2cc(OC(=O)C=Cc3ccccc3)ccc2C1=O 2296868532 REVLGCJWUCABLD-SFHVURJKSA-N 436.463 5.629 30 10 IKEE O=C(C=CN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(Cl)cc1Cl 2297533585 SLYVPOZHJCOETN-UHFFFAOYSA-N 429.269 5.531 30 10 IKEE Cc1ccc(COc2ccc(C=Nn3c(C)nnc3SCc3ccc(F)cc3)cc2)cc1 2321090517 KAKMPKPUXIXKGI-UHFFFAOYSA-N 446.551 5.788 30 10 IKEE CCCCC[C@@H](CC)N1COc2ccc3c(c2C1)OC(=Cc1ccc2c(c1)OCO2)C3=O 2322072652 IFEYUPOPNJJDJH-GOSISDBHSA-N 435.520 5.542 30 10 IKEE COC(=O)c1ccc(C=C2Oc3c(ccc4c3CN([C@@H](C)c3ccccc3)CO4)C2=O)cc1 2322092147 BVTQTWSTLYGWFF-KRWDZBQOSA-N 441.483 5.003 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccccc1Cl 2322436905 DRRQOVNKDUUGDF-UHFFFAOYSA-N 440.326 6.215 30 10 IKEE Cc1ccc(COc2ccc(Br)cc2C=CC(=O)c2ccc(C)cc2C)cc1 2322570033 CKBIRNFGAAJFDR-UHFFFAOYSA-N 435.361 6.849 30 10 IKEE CCCOC(=O)COc1ccc(Cl)cc1C=CC(=O)c1cc(Cl)ccc1Cl 2323002950 XSWIPKHMJHEGQN-UHFFFAOYSA-N 427.711 5.875 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)N[C@@H](C)c3ccccc3)c2)cc1 2323060702 PKSUHAKWRDYNPA-FQEVSTJZSA-N 443.543 5.410 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OCc3c(Cl)cccc3Cl)c2)cc1 2323060745 YIDYMAXVLGOEAG-UHFFFAOYSA-N 441.354 7.040 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(CC)cc2)cc(OC)c1OCc1cccc(C)c1 2323482770 GWHKJIJCHJCTIP-UHFFFAOYSA-N 426.556 6.770 30 10 IKEE O=C(CC(c1ccccc1)c1ccccc1)Oc1ccc2c(c1)OC(=Cc1cccnc1)C2=O 2323536559 LBQSBACYRPYRAD-UHFFFAOYSA-N 447.490 5.825 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2Cl)cc(OC)c1OCc1cccc(F)c1 2323627009 RVXVHPKHVJUVKM-UHFFFAOYSA-N 436.910 6.691 30 10 IKEE CCOC(=O)c1sc(NN=Cc2cc(Cl)c(OCC(C)C)c(OCC)c2)nc1C 2323854342 NFLPMOOIMIAAEN-UHFFFAOYSA-N 439.965 5.161 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(CC)cc2)C3=O)c1 2323890121 HVYAWFPYZQIJKG-UHFFFAOYSA-N 442.467 5.400 30 10 IKEE COc1c(Br)cc(C=CC(=O)c2ccc(F)c(F)c2)cc1Br 2324241449 IUTBKRSLPNQIJT-UHFFFAOYSA-N 432.058 5.395 30 10 IKEE N#C[C@H](C(=O)C=Cc1ccc(Cl)cc1Cl)c1nc(-c2ccc3c(c2)OCO3)cs1 2324623413 ROWMQOJKAPWHMD-OAHLLOKOSA-N 443.311 5.735 30 10 IKEE COc1ccccc1C=C1Oc2cc(OCC(=O)Nc3cccc(Cl)c3C)ccc2C1=O 2325053127 VQCJCAFKFOEBOA-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE Cc1c(OCc2cccc(Oc3ccccc3)c2)ccc2c1OC(=Cc1cccs1)C2=O 2325349348 XIGVKZAWBKGWTR-UHFFFAOYSA-N 440.520 7.044 30 10 IKEE CCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1cc(Br)ccc1O 2325592802 MGVCBLMRKZWDIG-UHFFFAOYSA-N 445.386 5.100 30 10 IKEE CCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1N=Cc1cccc(O)c1 2325809387 RUQCJTWISVXGND-UHFFFAOYSA-N 444.988 5.260 30 10 IKEE C=C(C)CSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1ccccc1O 2326388610 CMCMFTYIGUUUEH-UHFFFAOYSA-N 436.581 5.163 30 10 IKEE CSc1nnc(CCc2cccc3ccccc23)n1N=Cc1c(Cl)cccc1Cl 2326567590 OUKKYWFJJKJPPE-UHFFFAOYSA-N 441.387 6.127 30 10 IKEE CCCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1cc(C)ccc1O 2326617707 OMEHMNMTUUBEDJ-UHFFFAOYSA-N 430.577 5.615 30 10 IKEE CCOc1cc(C=Nn2c(C)nnc2SCc2cccc3ccccc23)ccc1OC 2326632729 MJDUPWMCORPBPX-UHFFFAOYSA-N 432.549 5.322 30 10 IKEE C=C(C)CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccc(Cl)cc1 2326911303 ZBEVLUKSRDAEFD-UHFFFAOYSA-N 441.044 6.241 30 10 IKEE C=CCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1c[nH]c2ccccc12 2327016061 AVEIRFABUJMPCE-UHFFFAOYSA-N 431.565 5.240 30 10 IKEE C=CCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccc(C(C)(C)C)cc1 2327298482 XSZXPTLSTRCQNQ-UHFFFAOYSA-N 448.636 6.240 30 10 IKEE Clc1ccc(CCc2nnc(SCc3ccccc3)n2N=Cc2ccncc2)cc1 2328056606 YWSKQLPCAAMYIE-UHFFFAOYSA-N 433.968 5.286 30 10 IKEE C=CCSc1nnc(COc2cccc(C)c2C)n1N=Cc1cccc2ccccc12 2328857501 DYTUNLPQCZZFPC-UHFFFAOYSA-N 428.561 5.787 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1ccc(OC)c(OC)c1 2329420179 BWPFARHRWMCZHL-UHFFFAOYSA-N 436.581 5.053 30 10 IKEE CCSc1nnc(CCc2ccccc2C)n1N=Cc1ccc(Br)cc1 2329480143 HBDYOWJSMQZFIY-UHFFFAOYSA-N 429.387 5.128 30 10 IKEE CCc1ccc(C=Nn2c(COc3ccccc3)nnc2SCc2ccccc2C)cc1 2329879870 JCJPEEHZWJLCQX-UHFFFAOYSA-N 442.588 5.902 30 10 IKEE CCCOc1ccc(C=Nn2c(COc3ccccc3)nnc2SCC)cc1OCC 2329902926 RFCQEOFWWQAKKL-UHFFFAOYSA-N 440.569 5.039 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SCC)nnc2-c2ccccc2)cc1OCC 2330663295 UAKIAYWWNIBHJW-UHFFFAOYSA-N 438.597 5.907 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc(C)cc(C)c3)c(Cl)c2)cc1 2330833049 LYUQFSOTZPOCCP-UHFFFAOYSA-N 446.974 7.415 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)CC3CCCCC3)c(OC)c2)cc1 2330846539 CSFSBVVTLWODPK-UHFFFAOYSA-N 434.576 6.810 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(CC(C)(C)C)nnc2SCCc2ccccc2)cc1 2330852178 WIRXWJUVFWHHKA-UHFFFAOYSA-N 449.668 5.930 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2ccccc2C)cc1C 2331029260 SUPYVYBHPXSLBE-UHFFFAOYSA-N 447.608 5.474 30 10 IKEE Cc1ccccc1C=Nn1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1C1CCCC1 2331096903 FXSYRLLGFAASKH-IBGZPJMESA-N 447.608 5.096 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2c(F)cccc2Cl)c(Cl)c1)c1ccc(Cl)cc1 2331142836 ANZRHLIYTPIMRU-UHFFFAOYSA-N 449.692 6.901 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 2331170143 DTCAEPVNGOBPMF-UHFFFAOYSA-N 435.520 6.393 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc([N+](=O)[O-])c1OC(=O)c1ccccc1 2331325219 YMPPKDCOLFYXEY-UHFFFAOYSA-N 445.471 5.726 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1ccc(C)c(C)c1 2331344841 QYCLXVXLCDILTH-UHFFFAOYSA-N 432.491 6.265 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cc(OC)ccc3OC)cc2OC)cc1 2331394775 WQAYDIZOYUPKPA-UHFFFAOYSA-N 446.499 5.390 30 10 IKEE COc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 2331412656 SNSFDKWOQMMDGB-UHFFFAOYSA-N 444.527 5.873 30 10 IKEE Cc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2[N+](=O)[O-])c1 2331498093 IDXNVWKZOJHMRQ-UHFFFAOYSA-N 429.472 6.142 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1ccccc1C 2331504152 RUZISLKSSLSRKC-UHFFFAOYSA-N 428.528 6.632 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1 2331643803 SAQUQIHSUIGDCV-UHFFFAOYSA-N 444.527 6.053 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)Cc1ccccc1 2331707500 GINCOZYVWNRRMJ-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE CC(C)c1nnc(SCc2c(F)cccc2Cl)n1N=Cc1cccc2ccccc12 2331716289 MBQIEEIEVKNVDV-UHFFFAOYSA-N 438.959 6.522 30 10 IKEE C=CCCC1([C@@H](O)c2cc(Cl)cc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2337170782 XEZIQSGMMNVXNH-INIZCTEOSA-N 448.760 5.478 30 10 IKEE C[C@H]1C[C@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN1Cc1ccccc1 2339545970 CNVSKGMBAQHOBJ-HRKNJWBZSA-N 433.405 5.191 30 10 IKEE CN(Cc1cscc1Br)c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2365102355 AGZZUOVDNWAAEM-UHFFFAOYSA-N 435.196 5.187 30 10 IKEE Cc1cccc(NC(=O)N(Cc2ccccc2)C2CCCCC2)c1B1OC(C)(C)C(C)(C)O1 2380913448 ABHAJZJQXSJWTG-UHFFFAOYSA-N 448.416 5.661 30 10 IKEE C=CCOc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(OCC=C)cc3)cc2)cc1 14039721 GPYHFAILLCPLOZ-UHFFFAOYSA-N 428.488 5.321 30 10 IKEE Cc1ccc(C)c(C(=O)C[C@@H]2S/C(=N\c3ccccc3C)N(c3ccccc3C)C2=O)c1 15055262 KKCJTBOAUMLAEG-DEVZUPFRSA-N 442.584 6.329 30 10 IKEE COc1ccc(N2C(SC)=N/C(=N\c3ccccc3C)C23CCC(C(C)(C)C)CC3)cc1 20805770 LOEPTDISXDYMEV-COOPMVRXSA-N 449.664 7.248 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2O[C@@H](C)CC)cc1 21220163 CCYOCMCYRGDXNQ-GREBRCKQSA-N 447.575 5.657 30 10 IKEE COc1ccc(/C=C\C(=O)c2ccc3ccccc3c2O)cc1Cn1nnc2ccccc21 33414259 INXGWDZFNZKCLO-UVTDQMKNSA-N 435.483 5.243 30 10 IKEE COc1ccc(/N=C2/NC(=O)S/C2=C\c2ccc3noc(-c4ccccc4)c3c2)cc1 35515847 ZQBOYPJIOJBMIX-STZFKDTASA-N 427.485 6.031 30 10 IKEE C=CCC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C1CC1 36307623 LYRIZRDVHLADLC-JOCHJYFZSA-N 435.543 5.310 30 10 IKEE C=C[C@](C)(O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC1CC1 36308818 ODKIGSVAUXXIJA-SANMLTNESA-N 435.543 5.168 30 10 IKEE N#Cc1nc(Cc2cccc3ccccc23)oc1N(Cc1ccccc1)Cc1ccccc1 39837484 KBGPSWOWFUCIPQ-UHFFFAOYSA-N 429.523 6.497 30 10 IKEE CCCCCn1c(O)c(C(=O)c2sc3cccc(Cl)c3c2Cl)c(C)c(C#N)c1=O 40522433 MLFDPTZJPHAVMB-UHFFFAOYSA-N 449.359 5.677 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN(CCCc2ccccc2)C3)C1=O 41587879 ZYBHZZFWZPYESC-XYGWBWBKSA-N 425.528 5.704 30 10 IKEE CCCCCCCOc1ccc(NCCOc2ccc(C(C)(C)C)cc2C(C)(C)C)cc1 100033786 QOCHXDGXWFIHIT-UHFFFAOYSA-N 439.684 8.122 30 10 IKEE CCCCCCCOc1cccc(NC(=S)NC(=O)c2ccc(O[C@H](C)CC)cc2)c1 100251800 FZNAVVLPCKQUJD-LJQANCHMSA-N 442.625 6.340 30 10 IKEE CCCCCCCCCCCCOc1ccc(NC(=O)c2ccc(C(=O)O)cc2)cc1C 101005733 NIFZDIHHXUYIAC-UHFFFAOYSA-N 439.596 7.245 30 10 IKEE CCOC(=O)C1=C(Nc2ccc(Cl)cc2Cl)S/C(=C/c2cccc(O)c2)C1=O 101478634 KDKZPOZVPZDJMA-CXUHLZMHSA-N 436.316 5.243 30 10 IKEE O=C(/C=C1/Nc2ccc([N+](=O)[O-])cc2N/C1=C/C(=O)c1ccc(F)cc1)c1ccc(F)cc1 101631594 RHYBGKOYQMEOQJ-ADYPVIEZSA-N 447.397 5.244 30 10 IKEE CCCCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N/CCc1ccccc1 102150364 VONRVYZOAFQXHY-DIQLGICBSA-N 437.634 5.762 30 10 IKEE O=C(/C=C\Nc1ccc(Oc2ccc(N/C=C/C(=O)C(F)(F)F)cc2)cc1)C(F)(F)F 103822061 WCMMLZJYHFELTI-DSOJMZEYSA-N 444.331 5.593 30 10 IKEE CCCc1nnc(SCc2ccc(Br)cc2)n1/N=C\c1ccccc1C 135883679 CBAKDQFKXZUGLF-XKZIYDEJSA-N 429.387 5.476 30 10 IKEE CCOc1cc(/C=N\n2c(S)nnc2Cc2ccc(F)cc2)cc(Cl)c1OC(C)C 169913663 PYAIOZQKZHEAFP-MSXFZWOLSA-N 448.951 5.018 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2cc(C)ccc2O)c1 169970908 OLZTYBGVKDWEGV-AREMUKBSSA-N 449.506 5.945 30 10 IKEE CCOc1ccc(C2=C(SCc3ccccc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 169996467 YFFYHUCYGZGZRC-UHFFFAOYSA-N 440.524 5.175 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2C2CCCCC2)c1 170039425 KGPFJBGKZPWFRA-HSZRJFAPSA-N 435.520 5.005 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@@H]2c2ccccc2)c1 170049348 ILLHQNWIOTXRFB-XMMPIXPASA-N 441.527 5.776 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2C2CCCC2)cc1 170116930 CCWYHECKFWYEOR-QHCPKHFHSA-N 435.520 5.003 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2cccs2)c1 170153734 MLIJQMHAGMQBEB-OAQYLSRUSA-N 430.485 5.021 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2cccs2)cc1 170156911 FNSDOWIMVKODFC-DEOSSOPVSA-N 443.568 5.972 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1ccc(O)c(Cl)c1 170220210 QKWFPCIHHYSPBW-NRFANRHFSA-N 441.955 5.640 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2C2CCCC2)cc1 170246194 AKBZOTJZPDAUPV-QFIPXVFZSA-N 434.492 5.239 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@@H]1c1ccc(CC)cc1 170268428 QJESZKWJHWGCIW-DEOSSOPVSA-N 435.564 5.643 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1c1ccc(C#N)cc1 170272766 WSFVBFSJVCUZMV-DEOSSOPVSA-N 434.451 5.396 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccc(C)o2)c1 170300424 XEAYUXNPAAGORU-QHCPKHFHSA-N 431.488 5.467 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@H]2c2ccc(C)o2)c1 170300618 PCBFUVINCGANNR-QHCPKHFHSA-N 431.488 5.332 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccc(C)o2)cc1OC 170302386 BHGWKCPVSPVLMS-HSZRJFAPSA-N 447.487 5.005 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(C)o1 170304114 OPMKHBICROOCND-XMMPIXPASA-N 443.499 5.258 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2ccc(C)o2)c1 170305758 TYSLRZULPGYHPW-NRFANRHFSA-N 439.414 5.048 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2sccc2C)c(C)c1 170314146 MDBKCZIBKRVUGE-OAQYLSRUSA-N 433.529 5.465 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(OCC(C)C)cc2)c1 170430312 UVPFBWXHDQWGNW-HSZRJFAPSA-N 447.487 5.106 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3ccccc3c2C=Nc2ccc(Br)cc2)cc1 254813067 QLEPFYGYXLMVNU-UHFFFAOYSA-N 444.328 6.881 30 10 IKEE CCOc1c(Br)cc(Br)cc1/C=C\B1OC(C)(C)C(C)(C)O1 396638839 GGRPDVZNBCUIMG-FPLPWBNLSA-N 431.961 5.255 30 10 IKEE C=CCCCCC[C@@H](NCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 406558717 PDJLOCNTRVPLGJ-GOSISDBHSA-N 425.411 6.583 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(Cl)cc2)c1 526516568 PJNVVYWCKCVHQR-HSZRJFAPSA-N 430.891 5.668 30 10 IKEE CCOc1cc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(C)cc2)ccc1OC 526603265 BUIKLCMRXBKZCW-RUZDIDTESA-N 440.499 5.331 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1ccc(OCC)c(OC)c1 526810033 ZTBXRJBIANIJFC-MYYYXRDXSA-N 438.597 5.429 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@H](NC(=O)CC3CCCCC3)C2)c1 586036828 ASNRRVULUAIAFC-QHCPKHFHSA-N 425.617 5.215 30 10 IKEE N#Cc1cccc(CN(c2ccc(F)c(Cl)c2)S(=O)(=O)c2ccccc2Cl)c1 586225246 MDWARNKFVAIJMO-UHFFFAOYSA-N 435.307 5.400 30 10 IKEE C=CCN(CC=C)C(=O)c1cccc(NC(=O)Nc2ccc(Br)cc2C)c1 586722682 GRNGCCVRYIFIBC-UHFFFAOYSA-N 428.330 5.216 30 10 IKEE CCCCCCCCCC[C@H](CCN(Cc1ccccc1)C(=O)OC(C)(C)C)NCC 692645800 OYIOCIQHYKFNLX-RUZDIDTESA-N 432.693 7.323 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCc2cc(Cl)ccc21 698497117 KWVNIIFTGMLTDN-NRFANRHFSA-N 447.760 6.209 30 10 IKEE N#Cc1cc(F)c(Nc2cc(Br)cc(Br)c2)cc1Br 709789108 HODQCTJBWUDWRI-UHFFFAOYSA-N 448.915 5.728 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCOc2ccccc21 710733547 BWTYZDKKQKXQBG-OAQYLSRUSA-N 429.314 5.392 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 829348859 WVWVNSJDTMCRNA-VWLOTQADSA-N 428.532 6.580 30 10 IKEE C/C=C\C=C\C(=O)Nc1ccc(Cc2ccc(NC(=O)/C=C\C=C\C)c(C#N)c2)cc1C#N 1084258793 NEBKHYYLYUQIJR-CPSRKWJTSA-N 436.515 5.162 30 10 IKEE CC1(C)[C@H](C(=O)Nc2ccccc2N=C/C=C\c2ccc([N+](=O)[O-])cc2)CC[C@]1(C)C(=O)O 1084468315 SQGJAJWFORJZOI-NKTDGXMQSA-N 449.507 5.476 30 10 IKEE FC(F)(F)c1ccc(Br)c([C@H]2CN(Cc3ccccc3)C[C@@H]2CS)c1 1614692096 HLUDCECVAIKZBL-PBHICJAKSA-N 430.333 5.613 30 10 IKEE CCCCCCCCCCn1cc(OCc2ccc(C(=O)OC)cc2)c(=O)cc1C(=O)O 1857890721 AHQSQEBHMHZNFM-UHFFFAOYSA-N 443.540 5.053 30 10 IKEE C=CCN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C1CCN(Cc2ccccc2)CC1 1860027733 DYEFSXXNPXKAJW-GOSISDBHSA-N 447.406 5.440 30 10 IKEE N#Cc1cccc(C(=O)Nc2ccc(Cl)c(NC(=O)/C=C/c3ccc(Cl)cc3)c2)c1 1860461858 WGQHLMZYPCVKDA-IZZDOVSWSA-N 436.298 5.769 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)c1ccccc1C(F)(F)F)[C@@H](C)CC 1861049523 XMILMOGZEIPNGM-RXVVDRJESA-N 442.566 6.107 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](NC(=O)c1cccc(Oc2ccccc2)c1)c1ccccc1 1862253803 FUZNHDYWJFGLBE-RUZDIDTESA-N 426.516 5.151 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1cccc(O)c1 1862382946 PPQLEYHQAJSFJX-IBGZPJMESA-N 434.319 5.323 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(F)cc2F)=C(O)C(=O)N1CCC1=CCCCC1 1862411817 PQZRFCDZJFQXQU-QHCPKHFHSA-N 437.486 5.742 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)cc1 1862413163 XDWGTOKQNPWDRN-ZAOYMGCJSA-N 425.475 5.430 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccccc1F 1862430735 QOYKEEUKNIWLFJ-YFZFPPMRSA-N 427.903 5.636 30 10 IKEE CCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(O)cc1 1862473336 AIWIVYCNKFXFPJ-VWLOTQADSA-N 449.591 6.420 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@@H]2c2cccc(O)c2)cc1 1862475358 JWBKKNUMSXQQSI-JOCHJYFZSA-N 433.891 5.133 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccc(Cl)cc2)cc1 1862476391 KBMNEDNBWPXWNW-QHCPKHFHSA-N 437.967 6.340 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 1862478471 IBRMJPJTKNPZEA-UZUQRXQVSA-N 442.471 5.243 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(N(CC)CC)cc1 1862509597 MDVIAMUFDLSFFC-UZUQRXQVSA-N 438.543 5.357 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(F)cc1)c1cccc(Br)c1 1862524473 GCHMKACUFFSVTC-LJQANCHMSA-N 444.300 5.109 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2cccc(Cl)c2)cc1 1862536204 SYUBZYQTRDGTSP-JOCHJYFZSA-N 432.907 5.076 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2ccc(C(C)C)cc2)c1 1862561045 PDFZVYZQEJWJOS-VWLOTQADSA-N 440.543 5.479 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C23CC4CC(CC(C4)C2)C3)c1 1862589357 JUSJMNIQBIEINB-RZNVFEIWSA-N 443.543 5.248 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1cccc(F)c1 1862617076 UNWGIRHEZZHKBP-QFIPXVFZSA-N 439.527 5.128 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc(F)c1)c1cccc2ccccc12 1862650638 ZQMHCTXZTMFYDM-HSZRJFAPSA-N 427.431 5.350 30 10 IKEE COc1cc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CCCC2)ccc1O 1862666046 UPKQUCUZSMXEOF-HSZRJFAPSA-N 435.520 5.045 30 10 IKEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccc2ccccc12 1862666744 LIFOQWDBDZPBAG-DEOSSOPVSA-N 429.516 5.188 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862684237 RVNLKLQMNHOQDD-HXOBKFHXSA-N 439.527 5.772 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@@H]1c1ccccc1)c1ccc2ccccc2c1 1862713449 OZBLACWDAXQQDC-XMMPIXPASA-N 439.536 5.722 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc4ccccc4c3)C2=O)cc1C 1862874944 YBZSTRDWHVCCPW-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE CCCOc1cccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(C)cc3)C2=O)c1 1862888385 LXAKYEPCNLTIBL-UHFFFAOYSA-N 437.499 5.052 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3cccc4c(O)cccc34)C2=O)cc1 1862895998 QDNHYICQSBUODJ-UHFFFAOYSA-N 445.478 5.122 30 10 IKEE COc1ccccc1C1=C(Nc2ccccc2C#N)C(=O)N(c2ccc(C(C)C)cc2)C1=O 1863060335 SUXXHVULSVQEQU-UHFFFAOYSA-N 437.499 5.087 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccccc3Cl)C2=O)c1 1863067546 UDLHERSTSYSDCN-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(OC)cc2)C1=O 1863331677 QTDUCQMRJZVGOH-OAQYLSRUSA-N 431.536 5.118 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)NCC[C@H](C)c1ccc(OC)cc1 1866030021 UPHWKZDGPXFVLN-SANMLTNESA-N 445.732 8.567 30 10 IKEE CC[C@@](C)(NC(=O)[C@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866994024 FXAYMMWTGSQDPT-NZQKXSOJSA-N 446.378 5.528 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](NC(=O)C[C@@H](c1ccc(C(C)C)cc1)C(C)C)c1ccccc1 1868703659 GEQBWTZPKLVEER-IXCJQBJRSA-N 446.635 5.998 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N2C[C@@H](C)O[C@H](C)C2)nn1-c1cccc(Cl)c1 1869945087 BPVWVUGGNGVLDP-QZTJIDSGSA-N 448.011 5.223 30 10 IKEE C=CCOc1cn(CCCCCCCC)c(CN(CCCC)CCCCCC)cc1=O 1870385178 LNDFXWIZYRXBDW-UHFFFAOYSA-N 432.693 6.956 30 10 IKEE C=CCOc1cn(CCCC)c(CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1=O 1870810006 GZSSIHIXUVHAOQ-UHFFFAOYSA-N 448.407 5.863 30 10 IKEE Cc1cc(C)cc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2Cc2ccco2)c1 1871253721 GPGLXAJJKUJEOC-UHFFFAOYSA-N 439.515 5.169 30 10 IKEE Cc1c(OC(=O)COc2ccc(Cl)cc2Cl)ccc2c1O/C(=C\c1ccco1)C2=O 1871367670 XALHASSMVZJPPS-GRSHGNNSSA-N 445.254 5.495 30 10 IKEE Cc1c(OC(=O)C(c2ccccc2)c2ccccc2)ccc2c1O/C(=C\c1ccccn1)C2=O 1871372025 VQBKADNOXGJRLW-BWAHOGKJSA-N 447.490 5.744 30 10 IKEE Cc1c(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc2c1O/C(=C\c1cccs1)C2=O 1871383012 AKMAGESBKLYGQG-ZDLGFXPLSA-N 441.848 5.454 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OC(=O)/C=C/c3ccccc3)cc(C)c2C1=O 1871385513 XAEJKZOXQGRDQD-QVFSEOJVSA-N 426.468 5.629 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(O)c2CN2CCC(Cc3ccccc3)CC2)C1=O 1871395023 CFIFTTVYWVUEOA-IMRQLAEWSA-N 439.555 5.772 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc(OCCOc3ccccc3F)c2C)C1=O 1871416978 GTMWCIKQKDUXLZ-JLPGSUDCSA-N 434.463 5.607 30 10 IKEE CCc1ccc(NC(=O)[C@H](CC)Oc2ccc3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871425693 MYUKMGNVHRPKHF-XPRKOMQSSA-N 441.527 5.970 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(O)cc2)ccc2c1O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871443343 XMTRTLDUFBKINB-OYKKKHCWSA-N 443.499 5.458 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O)Nc1ccccc1Cl 1871455655 RWIQUKFFMVXMOA-NHDPSOOVSA-N 440.282 5.627 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)c1ccccc1)S(=O)(=O)CCCC 1872016036 LZIMNRFHSZSPGK-HSZRJFAPSA-N 442.625 5.282 30 10 IKEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872305377 YVSAPWJHKYHHEQ-QFIPXVFZSA-N 449.016 5.249 30 10 IKEE C=CCN([C@@H](CC)C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)S(=O)(=O)c1ccccc1 1872327564 PGCSZJPJWGGUCW-DEOSSOPVSA-N 442.625 5.527 30 10 IKEE C=C(C)CN([C@@H](C)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1872432620 KIZLIUKARPPNTI-KRWDZBQOSA-N 434.989 5.057 30 10 IKEE N#C[C@@H](C(=O)/C=C/c1ccc(Cl)cc1Cl)c1nc(-c2ccc3ccccc3c2)cs1 1872760636 UGQVCFMKHNQFKG-MFUYTVRRSA-N 449.362 7.160 30 10 IKEE COc1cccc(-c2csc([C@H](C#N)C(=O)c3cccc(Oc4ccccc4)c3)n2)c1 1872762488 OHKOVQOFYRPAAL-JOCHJYFZSA-N 426.497 6.101 30 10 IKEE N#C[C@@H](C(=O)c1cccc(Oc2ccccc2)c1)c1nc(-c2ccc(F)cc2F)cs1 1872767312 QLSSFPMIEYRZMX-FQEVSTJZSA-N 432.451 6.371 30 10 IKEE N#C[C@@H](C(=O)/C=C/c1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(F)cc2F)cs1 1872767643 XBEIYEFITBTWCM-XCVZWFEFSA-N 435.282 6.285 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@H](C#N)C(=O)COc2ccc(Cl)cc2)n1 1872786251 FZCXLYSTSQUAFX-MRXNPFEDSA-N 447.343 5.689 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@@H](C#N)C(=O)c2ccc(-c3ccccc3)cc2)n1 1872788346 HPOMAFMKZMASBC-NRFANRHFSA-N 444.943 6.629 30 10 IKEE CCCCCCCCNC1=C(c2cccc(Cl)c2Cl)C(=O)N([C@@H](C)CC)C1=O 1873129456 UNLSDHXEZGPCBM-HNNXBMFYSA-N 425.400 5.822 30 10 IKEE CCCCCCCCN1C(=O)C(NC2CCCCCCC2)=C(c2ccc(OC)cc2)C1=O 1873142806 RKRYKADHIVNLBB-UHFFFAOYSA-N 440.628 5.838 30 10 IKEE C=CCN(CC=C)c1nc(Nc2cccc(OCC)c2)c2cnn(-c3ccccc3)c2n1 1873481726 MLRDBADHBHKYAP-UHFFFAOYSA-N 426.524 5.136 30 10 IKEE CCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1/N=C/c1ccc(C)cc1 1874194699 CQOZUYRQJQKGPN-NLRVBDNBSA-N 436.625 5.890 30 10 IKEE C=C(C)CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccc(F)cc1F 1874243605 OFRRPAKCYBXYSS-UVHMKAGCSA-N 442.579 5.866 30 10 IKEE CCSc1nnc(COc2c(C)cccc2C)n1/N=C/c1ccc(Br)cc1 1874299519 FIICAJUZJOTPGM-WSDLNYQXSA-N 445.386 5.231 30 10 IKEE Cc1ccc(OCc2nnc(SCCc3ccccc3)n2/N=C/c2ccco2)cc1C 1874320975 TUYIGAQJFPQIPN-PCLIKHOPSA-N 432.549 5.284 30 10 IKEE C=C(C)CSc1nnc(CCOc2ccccc2)n1/N=C/c1c(Cl)cccc1Cl 1874346222 CUFTYFWRBWUQNR-ZMOGYAJESA-N 447.391 5.757 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2sccc2C)cc1 1874348738 BBAIVBRYDRTWNH-MFKUBSTISA-N 448.617 5.730 30 10 IKEE C(=N/n1c(CCc2cccs2)nnc1SCc1cccc2ccccc12)\c1ccco1 1874372203 NMYLTGFMFOTQRX-PCLIKHOPSA-N 444.585 6.046 30 10 IKEE Cn1cc(/C=N/n2c(SCc3ccccc3F)nnc2-c2cccs2)c2ccccc21 1874422605 VFHITVWOJBZONR-DHRITJCHSA-N 447.564 5.812 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2-c2ccccc2)c1 1874426294 AOYNOMCPLLNACW-WGOQTCKBSA-N 432.524 5.657 30 10 IKEE Cc1ccccc1CSc1nnc(C2CCCC2)n1/N=C/c1c(Cl)cccc1Cl 1874452213 JRRDLFWVJPRQTR-DHRITJCHSA-N 445.419 6.725 30 10 IKEE O=[N+]([O-])c1cccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C(F)(F)F)c1 1874463036 QENVIJYOKNTTDA-LSFURLLWSA-N 441.822 5.033 30 10 IKEE COCCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874472232 SQSUBFNRBGVQNF-MFKUBSTISA-N 426.561 5.078 30 10 IKEE COCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc(C(C)C)cc1 1874472596 MWSUXAAARRFBIN-ZVHZXABRSA-N 428.989 5.418 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCC3)n2/N=C/c2c(Cl)cccc2Cl)c1 1874496011 QHHLUXCMOADCRC-BRJLIKDPSA-N 445.419 6.644 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CC2)c1 1874520637 RSRFZXKULCIXBP-WYMPLXKRSA-N 447.391 6.036 30 10 IKEE CCCSc1nnc(C)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 1874533473 KKGIYYREDLFWCP-YDZHTSKRSA-N 430.961 5.212 30 10 IKEE Sc1nnc(-c2ccco2)n1/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 1874559621 CHRYKABAKMLAHH-FOKLQQMPSA-N 445.331 5.595 30 10 IKEE CCOc1ccc(Cc2nnc(S)n2/N=C/c2cccc(Oc3ccccc3)c2)cc1 1874565168 LESJHXIGQVGDNE-KOEQRZSOSA-N 430.533 5.231 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2cc(C)cc(C)c2)c1 1874572319 HIJPHHOEFYEUCR-VQHVLOKHSA-N 449.934 5.879 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2cc(C)ccc2C)cc1 1874573404 MJMWJLCLAZZZIO-ISLYRVAYSA-N 441.571 6.560 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2cccc(Cl)c2)c1OCc1cccc(Cl)c1 1874577429 NGRWRMQLUYMLTG-CMDGGOBGSA-N 447.745 7.131 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C)cc2C)c1OCC(=O)Nc1cc(C)ccc1C 1874578967 PJLVWEWMOXZQDF-WYMLVPIESA-N 443.543 5.842 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OCC(=O)Nc1ccc(F)cc1 1874595988 DJTIFYKHUGMOJI-LFYBBSHMSA-N 433.479 5.365 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OCc3cccc(Cl)c3)c2)c(OCC)c1 1874600692 YERKMCACOXWLJW-SDNWHVSQSA-N 436.935 6.613 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(F)cc1 1874601902 JTRJMBCHBNXSQC-JXMROGBWSA-N 441.842 5.871 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2OC)cc(OC)c1OCc1ccccc1F 1874611706 QMHOJIQWIBOQMN-CCEZHUSRSA-N 432.491 6.047 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1cccc(F)c1 1874613454 VCXDKSKHCWCRFH-BJMVGYQFSA-N 431.290 6.616 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3Cl)c([N+](=O)[O-])c2)cc1 1874615966 GHAZSNXNRWOZGV-ONNFQVAWSA-N 442.298 6.685 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)ccc1OCc1ccc(C)cc1 1874622407 WTJQJUXUVMDGOM-DHZHZOJOSA-N 430.500 5.640 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OCc1c(F)cccc1Cl 1874625095 LPLYQQDYDMZADU-NTUHNPAUSA-N 438.926 7.086 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1OC(=O)c1cccc(C)c1 1874693250 VMNLAMBXLVAIAT-GZTJUZNOSA-N 448.518 6.786 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccccc3Br)c2)cc1 1874694459 DKFJJQNUDLDCSV-NTCAYCPXSA-N 435.317 6.127 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccccc3OC)c2)cc1 1874695629 LHMBHUCOSVCKGY-OBGWFSINSA-N 428.528 6.082 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C)cc3C)c2)c(OC)c1 1874702577 YDXLLORDVOPJJN-UKTHLTGXSA-N 430.500 5.365 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2cccs2)c1)c1ccc(Oc2ccccc2)cc1 1874712462 FRZVXHZMGCQRSU-LFIBNONCSA-N 426.493 6.656 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4ccccc4c3)cc2)cc1OC 1875094675 DFHFOPDPSXZRDJ-OQLLNIDSSA-N 438.479 5.972 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)ccc1OC(=O)c1cc(C)cc(C)c1 1875101712 YCFYGHYQKVVFQB-PKNBQFBNSA-N 430.500 5.826 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2Cl)c(OC)c1 1875127919 FKAIYZKVCAWVCT-XYOKQWHBSA-N 436.891 5.401 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] 1875135968 QQSJHWBHLSJSPD-NTEUORMPSA-N 445.471 5.346 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)c1[nH]c2ccc(C)cc2c1C 1875136375 LSRDLECAKRXQMC-MDWZMJQESA-N 439.511 6.217 30 10 IKEE C[C@@H](C(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1[N+](=O)[O-])c1ccccc1 1875162742 SOIQEGBICWVDKT-XKOZXHHJSA-N 437.398 5.478 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3c(C)cc(C)cc3C)cc2Cl)cc1 1875182757 UEEPDXAKGLWQJC-PKNBQFBNSA-N 432.947 6.618 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H]1CC2(CCCC2)CN1C(=O)OC(C)(C)C 1922115629 IYEPVYLLYZVNOC-GOTSBHOMSA-N 428.617 5.307 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(C)CC(F)(F)CN1C(=O)OC(C)(C)C 1996104871 HYUCJSOHPHQNOE-REWPJTCUSA-N 438.559 5.162 30 10 IKEE C=CC[C@@](C)(CNC(=O)OC(C)(C)C)COc1cc(NC(=O)OC(C)(C)C)ccc1N 2023596300 JFBBXZJVJXONGU-QHCPKHFHSA-N 435.565 5.102 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@](C)(C#N)C1CCSCC1 2029433487 BALIWHQBLYKXHA-IBGZPJMESA-N 425.392 5.616 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2032218607 YREZQXYRRWLCEL-BXKMTCNYSA-N 447.551 5.544 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)C1(C#N)[C@@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]1C 2042149080 OGRSSPAZUWCQDW-OALUTQOASA-N 443.588 5.522 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CC[C@H](C)C[C@@H]2OCc2ccccc2)c1 2043774610 MUHZBJSAWRCXRV-DDZLNHKNSA-N 434.580 6.404 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CCC2(CCC2)N(C(=O)OC(C)(C)C)C1 2067079872 UZRCOAIGBVFMJR-ZEQRLZLVSA-N 442.644 5.697 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2070600212 ADSXIZCHILZCPV-XDHUDOTRSA-N 447.551 5.497 30 10 IKEE CC(C)c1nn(Cc2ccc(F)c(C(F)(F)F)c2)c(Br)c1C(F)(F)F 2079798589 HDKLPJAGTYHEGK-UHFFFAOYSA-N 433.165 5.994 30 10 IKEE CC(C)(C)c1nn([C@H](c2ccc(C(F)(F)F)cc2F)C2CC2)c(Br)c1C#N 2079950495 GDKOBVAAEZNMDB-HNNXBMFYSA-N 444.270 5.972 30 10 IKEE CCCOc1ccc([C@H](C2CCC2)n2nc(C3(C)CC3)c(C#N)c2Br)cc1 2080068969 KENQZLQTDWOFBF-IBGZPJMESA-N 428.374 5.747 30 10 IKEE N[C@H](CC#CC1CCCCC1)c1cc(Br)ccc1I 2093451061 OJLUWEXFAMAKMT-MRXNPFEDSA-N 432.143 5.027 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)c(Br)c1)NCC 2110501333 QXWHZKMUSHHGGM-MSOLQXFVSA-N 445.829 5.483 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@H]2Nc2cc(Br)cc(F)c2C#N)C1 2163689451 GFNDIVOJDLVPAY-YLJYHZDGSA-N 438.341 5.051 30 10 IKEE COc1cc(Br)ccc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2165551212 KIQTVVXZJIXROM-KRWDZBQOSA-N 435.293 5.603 30 10 IKEE CC(C)(C)OC(=O)N1CCN(c2cc(Br)ccc2C#N)c2ccccc2C1 2174813099 RWTULLJDOBXZOQ-UHFFFAOYSA-N 428.330 5.210 30 10 IKEE C=CCCCC[C@H](NC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229117208 WZVMFURZTGGARK-OALUTQOASA-N 425.411 5.219 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)[C@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2258110695 XMKUDBJFNMXOES-LNQXKSOZSA-N 441.572 5.404 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](Nc2ccc(Br)cc2C#N)C[C@H]2CCCC[C@@H]21 2279549567 IWAMGRZDBUYFGX-BJZITVGISA-N 434.378 5.301 30 10 IKEE CC1(C)[C@H]2CC[C@]1(C)C(=NN=C1NC(=O)C(=Cc3cccc(Br)c3)S1)C2 2296405757 XGBYPXJUPDRINW-RNODOKPDSA-N 432.387 5.211 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)C2(NC(=O)OC(C)(C)C)CCCC2)c1 2302427768 DRQRUYUNVYVCBJ-IBGZPJMESA-N 429.561 5.466 30 10 IKEE CCCCCCCCCCOc1ccc(C=C2N[C@@H](c3ccc(Cl)cc3)OC2=O)cc1 2313513710 QMSCVJKPRCHJJC-RUZDIDTESA-N 441.999 7.046 30 10 IKEE O=C1C(=Cc2ccc(Cl)c(Cl)c2)Oc2cc(OCc3cccc(Cl)c3)ccc21 2314437499 NYEWNXVUFZUMQT-UHFFFAOYSA-N 431.702 6.842 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(C(C)C)cc2)SC1=Nc1nc(-c2ccccc2)cs1 2314543871 OFFZIOZQXLVCET-UHFFFAOYSA-N 445.613 6.724 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C(C)(C)[C@H]1CCCCN1C(=O)OC(C)(C)C 2316231651 PZJNLTHKEPKFCZ-RPWUZVMVSA-N 444.660 5.943 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(OC)cc1 2318571092 BYXVFURCVNCMLI-UHFFFAOYSA-N 435.380 5.721 30 10 IKEE N#Cc1nc([C@H]2C[C@H]2c2ccccc2)oc1NN=Cc1ccc(OC(=O)c2ccccc2)cc1 2320837036 IBVIJOUYVVHZSP-GOTSBHOMSA-N 448.482 5.483 30 10 IKEE COc1c(Br)cc(Br)cc1C=CC(=O)c1ccc([N+](=O)[O-])cc1 2322474645 RILYEHZAKJZGRJ-UHFFFAOYSA-N 441.075 5.025 30 10 IKEE O=C(COc1ccccc1C=CC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccccc1F 2322580834 VCIOQNYFZCJLBK-UHFFFAOYSA-N 444.289 6.046 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(F)cc2)c1OCc1ccc(Cl)cc1Cl 2322748749 HNXNKTXOXRGHBL-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccc(C)cc2)cc1Cl 2322977946 YZCOGXLMKOJRHM-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC)c3ccccc23)cc1OCc1ccc(F)cc1 2323328156 FFNZIVTVUXGSJI-UHFFFAOYSA-N 442.486 6.471 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OCc2nc(O)c3ccccc3n2)c1 2323332227 LPKWONWDPSBLFS-UHFFFAOYSA-N 446.890 5.473 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)C=Cc1ccc(Cl)c(Cl)c1 2323627226 ZDMPYAYYBVPNRF-NRFANRHFSA-N 441.443 6.158 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc(Br)c1OCCO 2323889870 CUSIWBSQEFDKFJ-UHFFFAOYSA-N 446.124 5.032 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc(C=CC(=O)c3ccc(F)cc3)cc2Cl)c1 2324184259 QHUHYRXZUJQDPW-UHFFFAOYSA-N 437.898 6.010 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OCc2cccc(F)c2)c([N+](=O)[O-])c1 2324372108 BOUVYOXHIRZYRY-UHFFFAOYSA-N 435.451 5.834 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)c(OC)c1 2324474058 GJDBOTDOTQPDIZ-UHFFFAOYSA-N 437.423 5.226 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc([N+](=O)[O-])cc3)n2)cc1Cl 2324807564 DOIGSBYQPLQBGX-MRXNPFEDSA-N 439.880 5.270 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2c(c1)OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2325196350 ZRLXJAWZXRSLST-UHFFFAOYSA-N 435.564 5.628 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCc4cccc5ccccc45)cc(C)c3C2=O)cc1 2325279410 PDLBBYDUICYREN-UHFFFAOYSA-N 436.507 6.742 30 10 IKEE COc1cccc(C(=O)C=Cc2cccc(OC(=O)c3ccccc3Br)c2)c1 2325707461 ZWJMUBPGGROQSV-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE COc1ccccc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccccc1Cl)C2=O 2325736063 DMTIMAKYDGUOAX-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OC(=O)c1c(OC)cccc1OC 2325737565 MMOUXAMRLRBAJS-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE CCOc1ccc(CC(=O)Oc2cc(C=CC(=O)c3ccc(F)c(C)c3)ccc2OC)cc1 2325741007 VYQOLDVFCJPCFA-UHFFFAOYSA-N 448.490 5.586 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OC(=O)c2ccc(-c3ccccc3)cc2)c1 2325743320 OIKKTOSIFPNZFZ-UHFFFAOYSA-N 448.518 6.786 30 10 IKEE C[C@H](Oc1ccc(Cl)cc1)C(=O)Oc1cccc(C=CC(=O)c2ccc(F)c(F)c2)c1 2325753511 DGNHMVCQYWDJDH-HNNXBMFYSA-N 442.845 5.887 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2cccc(OC(=O)COCc3ccccc3)c2)c1C 2325756988 ODIXKRAPCNCUQA-UHFFFAOYSA-N 428.528 5.939 30 10 IKEE CCOc1cccc(C=Nn2c(CC)nnc2SCc2ccc(Cl)cc2)c1OC 2326357966 YNCPLSMDNUYRRY-UHFFFAOYSA-N 430.961 5.076 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2C)n1N=Cc1ccc(C(C)C)cc1 2327114346 ZEQZZQUNAWSXJX-UHFFFAOYSA-N 434.609 5.882 30 10 IKEE CCCc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2ccc[nH]2)cc1 2327363620 LWIOXVKFQJZBLS-UHFFFAOYSA-N 431.565 5.312 30 10 IKEE Cc1cccc(OCc2nnc(SCc3ccc(F)cc3)n2N=Cc2cccn2C)c1C 2328831174 CBLJBHKUKVXDQM-UHFFFAOYSA-N 449.555 5.126 30 10 IKEE C=CCSc1nnc(CCc2ccccc2C)n1N=Cc1ccc(N(CC)CC)cc1 2329499914 ZEGQNLQYQCYRLA-UHFFFAOYSA-N 433.625 5.378 30 10 IKEE Clc1ccccc1CSc1nnc(CCc2cccs2)n1N=Cc1ccco1 2329667880 YXFFTEBPPNCNML-UHFFFAOYSA-N 428.970 5.546 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2ccccc2)n1N=Cc1ccc(Cl)cc1 2329741336 KSDGYAIQZWBTLT-UHFFFAOYSA-N 436.943 5.836 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2cc(C)ccc2O)cc1 2329938734 GALJFIPUUDGJLV-UHFFFAOYSA-N 442.588 5.674 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2cccc(F)c2)nnc1[C@H](C)c1ccccc1 2330078198 AUOLYHBGUQMAKO-LJQANCHMSA-N 430.552 6.052 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCCCO)n1N=Cc1ccc(Cl)c(Cl)c1 2330133784 NTOQRZVOJSXSRC-AWEZNQCLSA-N 435.380 5.093 30 10 IKEE CCc1ccc(C=Nn2c(Cc3cccs3)nnc2SCc2ccccc2C)cc1 2330330534 GHZBITGOWQMEKY-UHFFFAOYSA-N 432.618 5.976 30 10 IKEE Cc1ccc(C=Nn2c(Cc3cccs3)nnc2SCc2ccccc2Cl)cc1 2330398421 CFIFSUDSRJRIIU-UHFFFAOYSA-N 439.009 6.067 30 10 IKEE COc1ccc(C=Nn2c(Cc3cccs3)nnc2SCCc2ccccc2)cc1 2330398735 JHWUVSVQCMNBHD-UHFFFAOYSA-N 434.590 5.156 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc3ccccc23)n1N=Cc1cccc(F)c1 2330860033 LCTGIJNJUIMJNC-UHFFFAOYSA-N 432.568 6.334 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)C(c2ccccc2)c2ccccc2)cc1 2331051260 OCLFCJVLYOTMAQ-UHFFFAOYSA-N 448.518 6.329 30 10 IKEE O=C(COCc1ccccc1)Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1Cl 2331092464 CACXIWXNZDEBEQ-UHFFFAOYSA-N 442.845 5.637 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3F)cc2Cl)cc1 2331092562 UMYCZVMONGEJIU-UHFFFAOYSA-N 426.846 6.296 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3ccc(C=CC(=O)c4ccccc4)cc3[N+](=O)[O-])c(C)c2c1 2331174073 NTGQCHMTLQVMCE-UHFFFAOYSA-N 440.455 5.808 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccco3)n2N=Cc2ccc3c(c2)OCCO3)c1 2331208277 IABPCUYYDAXYRR-UHFFFAOYSA-N 446.532 5.101 30 10 IKEE COCCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1cccs1 2331294264 IWHYEBBIRXYNRQ-UHFFFAOYSA-N 427.382 5.010 30 10 IKEE CCCCc1nnc(SCCc2ccccc2)n1N=Cc1ccc(Cl)cc1Cl 2331339194 ODGBMTAUPITNRM-UHFFFAOYSA-N 433.408 6.145 30 10 IKEE CCCSc1nnc(C(C)(C)C)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2331402365 SQDLRZDVBSLLCX-UHFFFAOYSA-N 443.016 6.192 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)CC3CCCCC3)c([N+](=O)[O-])c2)cc1 2331416702 MGMQTCFLBOFJJJ-UHFFFAOYSA-N 449.547 6.664 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)Cc1ccccc1F 2331517692 RQTZKRJJWBLNFD-UHFFFAOYSA-N 438.426 5.026 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccccc2Cl)cc1 2331741315 NDAPUIGYSWGNLY-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc(Cl)c1OC(=O)C1CC1 2331798510 PNGLARHYBHQEKM-UHFFFAOYSA-N 440.967 6.556 30 10 IKEE CCCCC(=O)Oc1c(OC)cc(C=CC(=O)c2cc(Cl)ccc2OC)cc1OC 2331876741 VMWMIZMAPXCBNR-UHFFFAOYSA-N 432.900 5.358 30 10 IKEE Cc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccccc4Cl)nn32)cc1 9856499 ADNDRQUZAXNHGK-NRFANRHFSA-N 436.968 5.554 30 10 IKEE CC1(C)C(=S)N(c2ccc(C#N)cc2)/C(=N/C23CC4CC(CC(C4)C2)C3)[C@@H]1N1CCCC1 15861659 DATKXTKVNMQNCR-DZQIITJFSA-N 446.664 5.564 30 10 IKEE Cc1ccc(N2C(=O)S[C@H](S/C(=N\c3ccccc3)Nc3ccccc3)C2=O)cc1 20805999 ASEJRRBSOKJNQR-NRFANRHFSA-N 433.558 6.054 30 10 IKEE CC(C)Oc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(F)c2)cc1 21234676 UGLLYKIQIGPPAM-WTYVLRPYSA-N 442.534 6.592 30 10 IKEE CC(C)COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(C(C)(C)C)cc2)cc1 21260597 XBLRCKXUCVUEMN-URXFXBBRSA-N 445.603 6.023 30 10 IKEE O=C1/C(=C/c2cccc(Br)c2)Oc2cc(OCc3ccccc3Cl)ccc21 33658690 DCDHAQQUIFZUOF-NHDPSOOVSA-N 441.708 6.298 30 10 IKEE CC(C)(C)c1ccc(/C=N/N=C2\NC(=O)[C@@H](Cc3ccc(Cl)cc3Cl)S2)cc1 39888230 KPFHBVUEUCHSSO-SZMVHAFZSA-N 434.392 5.455 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc(OC(=O)c3ccc(OC)cc3)c2C)C1=O 41285184 GPYATIWYWOBSAC-HAHDFKILSA-N 430.456 5.238 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1ccc2c(c1C)O/C(=C\C=C\c1ccccc1)C2=O 41289955 XMAAFFOSYFRNHX-NRSKTENOSA-N 442.467 5.404 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1cccc(F)c1)O3)CN(CCCc1ccccc1)CO2 41647263 ZGJUEZVGIBSGPM-IWIPYMOSSA-N 429.491 5.535 30 10 IKEE Cc1ccccc1CSc1nnc(N/N=C/c2ccccc2OCc2ccccc2)[nH]1 59019186 MRXGPBTXJNNKLC-MFKUBSTISA-N 429.549 5.430 30 10 IKEE CCCCOc1ccc(C(=O)Nc2c(C)cc3nc(N/N=C(\C)CC)sc3c2C)cc1 78400574 JBSHWGCPFVTRFO-JVWAILMASA-N 438.597 6.542 30 10 IKEE COc1ccccc1N=C1S[C@H](C)CN1C(=O)CC(c1ccccc1)c1ccccc1 96579315 UBURXNZSHLPITJ-LJQANCHMSA-N 430.573 5.869 30 10 IKEE O=S(=O)(/N=C(\O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1cc(Cl)ccc1Cl 97465338 BKXQVRJJROZXNN-RYUDHWBXSA-N 438.254 5.461 30 10 IKEE CCCCCCCOc1cccc(NC(=O)CNc2ccc(C(=O)N3CCCC3)cc2)c1 100098441 KXXWMMQCZMIIKS-UHFFFAOYSA-N 437.584 5.322 30 10 IKEE C=C(C)COc1cccc(NC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)c1 100439973 SVTKOMBYIMKSGU-UHFFFAOYSA-N 441.358 6.873 30 10 IKEE C=C(C)Cc1c(C)nn(C(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1C 100459878 RTEKFPRLIZHDEL-UHFFFAOYSA-N 429.564 5.857 30 10 IKEE O=C(O)c1cccc(/N=C2/S/C(=C\c3c[nH]c4ccccc34)C(=O)N2c2ccccc2)c1 101133117 WRZZIBCIMQEXDM-ZQQCWGMFSA-N 439.496 5.675 30 10 IKEE CCCCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 105867208 RHRIQCKTFNUGBY-UHFFFAOYSA-N 437.631 5.803 30 10 IKEE O=C(C/C(=C\C(=C1/Cc2ccccc2C1=O)c1ccccc1)c1ccccc1)c1ccccc1 108649309 MUCYMSYQFRLMSG-HBWSULCGSA-N 440.542 7.236 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\Nc2nc(CC)cc(=O)[nH]2)cc1OCC 169895490 KJQWIFBMQQXFCR-BWAHOGKJSA-N 428.577 5.306 30 10 IKEE COc1ccc(-c2csc(N/N=C\c3ccc(OCCCc4ccccc4)cc3)n2)cc1 169940805 PEEPJKIBXUAFCN-IMRQLAEWSA-N 443.572 6.276 30 10 IKEE Clc1cc(/C=N\Nc2nc(-c3cccs3)cs2)ccc1OCc1ccccc1 169943370 HVEWJBCGOYUGNF-FMCGGJTJSA-N 425.966 6.550 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccc(N(C)C)cc2)c1 169952918 CKXAKWMUYCGLDR-VWLOTQADSA-N 440.543 5.461 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2cccc(C)c2)c(C)c1 169972325 QOBAUPWOVWOGAU-XMMPIXPASA-N 445.490 5.230 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccccc2)c1 170118014 HEXVLBGQHVGSRJ-HSZRJFAPSA-N 425.440 5.224 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2ccc(F)cc2)c1 170140696 AXMRNBTWZIFWTC-VWLOTQADSA-N 437.470 6.070 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1cccc(C)c1 170141915 NCMKZLMYUKWOQK-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@@H]1c1ccccc1OC(C)C 170151315 JCKMDWJDFAWRJB-NRFANRHFSA-N 443.927 5.124 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1cccs1)c1cccc2ccccc12 170155789 VEUDERCLOOKKAD-JOCHJYFZSA-N 429.472 5.823 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccn1)c1ccc(Cl)c(Cl)c1 170169847 WQCOZEKRTVVJDP-IBGZPJMESA-N 443.261 5.310 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccccn2)c1 170170143 DIDCOHCWUHXKIR-RUZDIDTESA-N 438.527 5.360 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccccn2)c(C)c1 170175463 JBLBYBXKOXKCRZ-VWLOTQADSA-N 438.527 5.360 30 10 IKEE Cc1ccc(-c2nc(C3=C(N)N(Cc4cccc(C(F)(F)F)c4)CC3=O)sc2C)cc1 170179202 MRMLGBQQKLHSHB-UHFFFAOYSA-N 443.494 5.158 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccncc2)c1 170200288 KXJUFSIRURODHW-XMMPIXPASA-N 442.515 5.270 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccncc2)c1 170202556 BMTDLKUKZXAZJS-XMMPIXPASA-N 442.515 5.270 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(OCC)c2)c1 170218631 YXCOTVJZZXAVNK-QHCPKHFHSA-N 435.520 5.005 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccc2)cc1C 170224178 SWUAXKDPLOJOQR-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2)c1 170226095 MKIBPGOKRWVXJG-JOCHJYFZSA-N 433.891 5.522 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2c[nH]c3ccccc23)c(C)c1 170254112 CCAUONJTQBHEJF-XMMPIXPASA-N 438.483 5.268 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)[C@@H]2c2ccco2)cc1 170283447 XBSDEXKLHVTBMW-QFIPXVFZSA-N 447.874 6.025 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2ccc(Cl)cc2)o1 170303001 YECFYBGQRMMZNK-OAQYLSRUSA-N 432.863 5.506 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccc(OC(C)C)c2)c1 170347820 VFPKHANHZMMFQD-VWLOTQADSA-N 441.527 5.874 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(C(C)(C)C)cc1 170468793 BNJZYRWHBLCUFX-JOCHJYFZSA-N 449.934 6.322 30 10 IKEE CCCCCCCCCC[C@H](CCCCCCCC)CO[C@H]1OC[C@@H](O)[C@H](O)[C@H]1O 207639608 UZLPXVWSLFHDJE-KKGFQHLNSA-N 430.670 5.340 30 10 IKEE Cc1c(-n2cccc2)cc2c(c1N=Cc1cc(Cl)cc(Cl)c1O)C(C)(C)CC2(C)C 254289005 YHJZIHIXZJCBGR-UHFFFAOYSA-N 441.402 7.508 30 10 IKEE CC(=O)Nc1ccc(C=Nc2sc3c(c2-c2nc4ccccc4s2)CCCC3)cc1 254408379 ZSVMHNFARXZNEH-UHFFFAOYSA-N 431.586 6.613 30 10 IKEE CC(C)Oc1ccc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526516523 OUADNRFHGYDJRH-XMMPIXPASA-N 444.918 6.056 30 10 IKEE O=C(CC1CCCCC1)NC1CCC(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 586507876 BPSOTXSURAMMPQ-UHFFFAOYSA-N 448.412 5.097 30 10 IKEE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@H](C#N)c1ccc(Br)c(Cl)c1 698471451 MCCADCSBZPUDSG-XJKSGUPXSA-N 429.742 5.083 30 10 IKEE C[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)CN1Cc1ccccc1 698947484 UXAVBPUEUGBGAC-HOYKHHGWSA-N 425.960 5.638 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 698990109 VFJNKMMEZRMYNX-DVECYGJZSA-N 445.560 5.118 30 10 IKEE CC(C)(C)OC(=O)N(C[C@H]1CCCO1)[C@@H](C#N)c1cccc(Cl)c1Br 719726060 MQHVARLVXZTANZ-DOMZBBRYSA-N 429.742 5.083 30 10 IKEE CC/C(=C\C(=O)c1ccc(Br)cc1)Nc1ccc(N=Nc2ccccc2)cc1 1084331672 ZGMBZAWXBVKJIE-BTCVMBOUSA-N 434.337 7.453 30 10 IKEE CCc1ccc(C(=O)N2c3ccc(F)cc3[C@@](C#N)(Nc3ccc(F)cc3)C[C@@H]2C)cc1 1615950538 SDZZHJVCVGORLR-MRDQGFSESA-N 431.486 5.797 30 10 IKEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc2c(O)nccc12 1670031489 YMGNPXKRHSFBLO-UHFFFAOYSA-N 430.277 5.062 30 10 IKEE O=C(O)c1cccc(N=C2S/C(=C/C=C\c3ccccc3)C(=O)N2C2CCCCC2)c1 1772733749 CPNSZVKDOPKTTP-ACMPQJNMSA-N 432.545 5.878 30 10 IKEE CCCCCCCCCCNC(=O)C1CCN(c2cc(-c3ccccc3)nc(C)n2)CC1 1859671750 TZCPJMDTLLDKGI-UHFFFAOYSA-N 436.644 5.925 30 10 IKEE CC(C)c1ccc2oc(-c3cccc(C(=O)Nc4c(C#N)cnn4-c4ccccc4)c3)nc2c1 1859743995 OZEXJKIIVLEKQW-UHFFFAOYSA-N 447.498 5.928 30 10 IKEE N#Cc1cccc(C(=O)Nc2cc(NC(=O)/C=C/c3ccc(Cl)cc3)ccc2Cl)c1 1860455411 ZPFJGVUHBSLWIG-IZZDOVSWSA-N 436.298 5.769 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)Cc1cc(Cl)ccc1SC 1860974678 YWPHYLKYFHMZHN-FQEVSTJZSA-N 441.081 5.756 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(Cl)ccc1OC 1861541762 IINZVUMCCMTEPE-QFIPXVFZSA-N 445.003 5.166 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2ccccc2)cc1 1862387629 PDJLPXVOYUSOOV-SANMLTNESA-N 439.555 6.116 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCCCCO)cc1 1862433487 DARLRKIZCULEBA-QFIPXVFZSA-N 441.955 5.204 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCCc2ccccc2)cc1 1862442448 SHEFPDICJYCSCY-DEOSSOPVSA-N 445.946 5.860 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1C(=O)O 1862477739 QSMRRMZSZPFHSB-CVDCTZTESA-N 449.547 5.630 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccc(C)cc2)cc1 1862479065 XVCYNGVAUAXTIC-VWLOTQADSA-N 441.527 5.481 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2cccc(C)c2)cc1 1862535122 ZSGNMLVKBLJFDZ-RUZDIDTESA-N 425.528 5.378 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2ccc(Cl)cc2)cc1 1862558014 RZGPYARVDQRTAF-JOCHJYFZSA-N 432.907 5.009 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(Cl)c(Cl)c1)c1cccc(O)c1 1862597563 KWFYERWPODCUIA-FQEVSTJZSA-N 446.330 5.610 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccc(Cl)c1 1862660060 FYOKYTMJAWDGGU-NRFANRHFSA-N 427.928 5.078 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 1862676385 IEFDWORYZPIEIH-OAQYLSRUSA-N 438.455 5.035 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccccc1F 1862724484 NKZPCYTXKNRPNR-DEOSSOPVSA-N 429.491 5.727 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(F)cc1F 1862726040 XLCGNJIOSPLVMX-UPCLLVRISA-N 447.481 6.009 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2F)=C(c2ccccc2[N+](=O)[O-])C1=O 1863232825 MHVWNWRBEJKSKS-UHFFFAOYSA-N 439.487 5.286 30 10 IKEE C=CCN1C(=O)C(NCc2ccc(OC(C)(C)C)cc2)=C(c2cccc3ccccc23)C1=O 1863583474 ZNAYWQGFRFQXGZ-UHFFFAOYSA-N 440.543 5.073 30 10 IKEE CCC[C@H](NC(=O)C[C@@H](c1ccc(Cl)cc1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866751264 VEJQKHGZLJPEBA-YADHBBJMSA-N 425.960 5.265 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3ccccc3[C@H]2C(C)C)nc(-c2ccc(C)cc2)n1 1869162405 XKKWIZJAYQWJMZ-MUUNZHRXSA-N 438.619 6.390 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCc2ccccc2)cn1Cc1ccccc1Cl 1870689807 FGIZBSHTZLRPDG-UHFFFAOYSA-N 448.994 5.346 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)OCC)c(=O)cc1CN1CCC[C@H](C)C1 1870696018 UECJKYDLYBDBOC-QFIPXVFZSA-N 448.648 5.163 30 10 IKEE C=CCn1cc(OCc2cccc(Cl)c2)c(=O)cc1CNc1ccc(C(C)(C)C)cc1 1870826891 APNYIFJKNGKTMG-UHFFFAOYSA-N 436.983 6.176 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2)c(=O)cc1CNc1cc(C)cc(C)c1 1870897944 BEPNCQHQQRLORO-UHFFFAOYSA-N 446.635 7.017 30 10 IKEE CCCCCCCCCCn1cc(OCCCC)c(=O)cc1CNc1ccc(Cl)cc1 1871112845 WOCZSRNYDHWPOI-UHFFFAOYSA-N 447.063 7.433 30 10 IKEE CCCCCCCCCCN=c1[nH]c(Nc2cccc(NC(C)=O)c2)ncc1[N+](=O)[O-] 1871303877 QZZLARCBAVHZQZ-UHFFFAOYSA-N 428.537 5.061 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)/C(Cl)=C/c4ccccc4)ccc3C2=O)cc1 1871377548 QEYBOPULKIOEQV-FHVZNZBFSA-N 430.887 6.051 30 10 IKEE COc1ccccc1/C=C1\Oc2c(ccc(OCCCCOc3ccccc3C)c2C)C1=O 1871404348 JMDYKFOSGPLXAL-ITYLOYPMSA-N 444.527 6.166 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCc4cc(C)c(C)cc4C)cc(C)c3C2=O)cc1OC 1871417896 VACHGSSLYFFLOD-ZMFRSBBQSA-N 444.527 6.133 30 10 IKEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccccc1CC)S(=O)(=O)c1cc(C)ccc1C 1872474873 VEGWZAWGLLBDDQ-QHCPKHFHSA-N 442.625 5.096 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cc(C)ccc1C)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872571288 GLYCOQKPVSRAQH-GBXCKJPGSA-N 442.625 5.232 30 10 IKEE Cc1sc(C2=C(N)N(c3cc(Cl)ccc3Cl)CC2=O)nc1-c1ccc(F)cc1 1872725889 AVXPESRAVQMOHX-UHFFFAOYSA-N 434.323 5.281 30 10 IKEE CCc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(C)cc3C(C)(C)C)n2)cc1 1872761468 NXPNXHOJIFKSGM-HXUWFJFHSA-N 432.589 6.234 30 10 IKEE COc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1 1872779698 PHASHVXYBBIUBD-OAQYLSRUSA-N 434.561 5.678 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccc(C)cc2)=C(c2ccccc2C)C1=O 1873101410 WNLUNIOXNRNOTP-UHFFFAOYSA-N 446.635 6.314 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H](C)CC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168555 ZMZMILPHTFQWBN-FQEVSTJZSA-N 449.639 5.923 30 10 IKEE C=C(C)CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1sccc1C 1874243441 GOPTWHQSLOQGSQ-ZMOGYAJESA-N 426.655 5.957 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccccc3Cl)n2/N=C/c2cccnc2)c1 1874266051 CPOWBDWXSSLKSP-VULFUBBASA-N 449.967 5.388 30 10 IKEE CCSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccc(C(C)(C)C)cc1 1874267308 QRHFXJQTYNRCPW-ZVHZXABRSA-N 428.989 5.802 30 10 IKEE O=[N+]([O-])c1ccccc1Cc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccccc1 1874295539 HMVUKLFQLFMGLT-MFKUBSTISA-N 447.495 5.091 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2OC)n1/N=C/c1cccc2ccccc12 1874314146 FHWRBLBPUFTUEB-WPWMEQJKSA-N 442.588 5.776 30 10 IKEE Cc1ccc(/C=N/n2c(COc3ccc(C)c(C)c3)nnc2SCc2ccccc2)cc1 1874320178 DZHIPVADUQVRCW-JVWAILMASA-N 442.588 5.957 30 10 IKEE Cc1ccccc1CSc1nnc(COc2cccc(C)c2C)n1/N=C/c1cccn1C 1874321887 PFTVIHHQSYJTLN-CVKSISIWSA-N 445.592 5.295 30 10 IKEE Cc1cccc(/C=N/n2c(Cc3ccc(C)c(C)c3)nnc2SCc2cccc(C)c2)c1 1874357028 LURQSASAZVDJKA-OGLMXYFKSA-N 440.616 6.277 30 10 IKEE Cc1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCc2cccc(C)c2)cc1 1874377765 MGNSLJKVRHQCER-JVWAILMASA-N 430.552 5.799 30 10 IKEE COc1ccc(/C=N/n2c(COc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 1874383442 AHBTXAUVSDPSGK-CVKSISIWSA-N 448.523 5.179 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3Cl)n2/N=C/c2cccn2C)cc1 1874389988 OWCBXBQTONBLRF-MFKUBSTISA-N 435.984 5.344 30 10 IKEE CCOc1cc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccc(F)cc2)ccc1O 1874437240 RBMOSEURRYMUEP-AFUMVMLFSA-N 442.560 5.285 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2Cl)n1/N=C/c1cc(Cl)ccc1O 1874438412 DNTDUMWGMKJNFY-WYMPLXKRSA-N 449.407 6.054 30 10 IKEE CC(C)(C)c1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2[C@H]2CCCO2)cc1 1874445347 WSYZCTZXKFGMGO-YNYZQSIGSA-N 438.572 5.741 30 10 IKEE Cc1ccsc1/C=N/n1c(SCc2c(F)cccc2Cl)nnc1-c1ccco1 1874469255 VRGWOOSDSCGOIG-LSHDLFTRSA-N 432.933 5.875 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1cccc(O)c1 1874485647 GSIWSXVOMBNESO-FOKLQQMPSA-N 435.380 5.763 30 10 IKEE COC(=O)c1ccc(/C=N/n2c(CC(C)C)nnc2SCc2ccccc2Cl)cc1 1874489779 KDZIGUMZXHQBLF-ZMOGYAJESA-N 442.972 5.091 30 10 IKEE COc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2ccc(Cl)cc2)cc1O 1874491162 BZNKAUULIOFJPJ-FSJBWODESA-N 430.961 5.019 30 10 IKEE CCOc1cccc(/C=N/n2c(COC)nnc2SCc2cccc3ccccc23)c1 1874502546 NAZRNPUGPWYOCV-MFKUBSTISA-N 432.549 5.151 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1cc(Cl)ccc1O 1874508737 SEEPLPVKJYHXKB-AFUMVMLFSA-N 436.968 5.917 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(C(C)C)cc1 1874511283 ROXQOBFPHHDKCH-DHRITJCHSA-N 447.435 6.835 30 10 IKEE CCCSc1nnc(C2CC2)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874521045 YFGZTYVHQUOPPM-ZVHZXABRSA-N 426.973 5.772 30 10 IKEE O=C(/C=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 1874569681 DJRISZKUFMRZTK-PKNBQFBNSA-N 428.271 6.377 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1ccccc1)c1ccc(Br)cc1 1874574261 DJMFYKPRXSQGST-XYOKQWHBSA-N 427.725 6.578 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 1874575390 KYPMDEORBZZOEH-VZUCSPMQSA-N 438.823 5.632 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(F)cc2F)c1OCC(=O)Nc1ccccc1C 1874576352 JJFRARUOWGSCQR-JLHYYAGUSA-N 437.442 5.195 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1OCc1ccc(C)cc1 1874579330 IVKFHZQQPRVIQD-ACCUITESSA-N 427.327 6.786 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1F 1874582475 PLCCDMFCWFBMNC-OUKQBFOZSA-N 430.450 6.602 30 10 IKEE CCc1ccc(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc(C(C)C)cc2)cc1 1874583498 QJSKDBSACUBDGD-OBGWFSINSA-N 427.544 6.286 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccccc2F)cc1Cl 1874590689 HCKUTKSGCIAHNL-ZRDIBKRKSA-N 439.870 5.401 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)cc2)c1C 1874603993 PKBOCBMXJXYIGU-SFQUDFHCSA-N 439.555 6.096 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3C)c(OC)c2)cc1C 1874607765 FMCPZRFVTWWQME-FMIVXFBMSA-N 445.515 5.234 30 10 IKEE CCOc1c(Br)cc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc1OC 1874639176 MHZWNOYWMUMBTN-FNORWQNLSA-N 425.706 5.415 30 10 IKEE CCCCCCCOc1ccc(C(=O)CCN(Cc2ccccc2)Cc2ccccc2)cc1 1874690249 NUAOWQOJCZKINA-UHFFFAOYSA-N 443.631 7.311 30 10 IKEE O=C(COc1ccc(Cl)cc1)Oc1cccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c1 1874697800 ARKZBBVNPBKJEO-YIXHJXPBSA-N 437.835 5.129 30 10 IKEE COc1cccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c(C)c3C)c2)c1 1874712504 YXCISCZOZJQJGZ-ACCUITESSA-N 446.499 5.201 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)C(C)(C)C)c2)c(OCC)c1 1874714622 FXJYOUTYOTWWHE-UKTHLTGXSA-N 426.509 5.340 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(OC)cc2)CSc2nnc(C(C)C)n21 1874854638 VJYQCSSMMOUPJV-HXUWFJFHSA-N 430.618 5.472 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2c(F)cccc2Cl)cc1)c1ccc2ccccc2c1 1875096332 IULBLSACKPSPEM-XNTDXEJSSA-N 430.862 6.748 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OC(=O)c1ccccn1 1875096861 IUONCCMJGGARIE-JLHYYAGUSA-N 443.499 5.093 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1OCC 1875099560 NXSISLGVBXEOSI-CSKARUKUSA-N 432.900 5.358 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc4ccccc34)c(Cl)c2)c1 1875102699 MYZJFFGTYIYHQQ-WYMLVPIESA-N 442.898 6.617 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccccc2Cl)cc1OCC 1875111797 LPSAOEJSSBXFET-BUHFOSPRSA-N 449.374 7.164 30 10 IKEE Cc1cccc(C)c1OCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1 1875122945 PLDWAXUJLNANSO-LICLKQGHSA-N 448.946 6.618 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2[N+](=O)[O-])cc1 1875125963 JWGVRVQLZZFBIC-SWGQDTFXSA-N 437.835 5.372 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2OC)cc1 1875136228 FIIFNDMDJSNPKW-OQLLNIDSSA-N 444.527 5.837 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)COc1cccc(OC)c1 1875137092 VLQKLIXWTAPDRP-GXDHUFHOSA-N 446.499 5.283 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)c1ccncc1 1875140680 RTKZDXAHWAPHFR-BQYQJAHWSA-N 435.907 5.866 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OC(=O)c1ccco1 1875150891 JUBSBFFFUBSMKZ-FNORWQNLSA-N 440.835 5.176 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccccc2F)c(Cl)c1 1875170917 WGKVULGIPMBWAJ-CSKARUKUSA-N 438.882 6.220 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(OC)c(Cl)cc2OC)ccc1OC(=O)C(C)(C)C 1875173427 GMHNVOHRTYWQPZ-CSKARUKUSA-N 446.927 5.604 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)C1CCCC1 1875182957 CWHVVNOYBZRONS-ZHACJKMWSA-N 440.967 6.656 30 10 IKEE N#C[C@]1([C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCCC12CC2 1875636242 ZRSXTMTZNKRJLW-PXJZQJOASA-N 439.555 6.352 30 10 IKEE N#CC1(c2ccccc2)CCN(C(=O)c2cc(Br)cc(C(F)(F)F)c2)CC1 1890894000 YAHLSBVESKCDRK-UHFFFAOYSA-N 437.259 5.165 30 10 IKEE CN(C)CC#CC1CCN(C(=O)c2cc3ccccc3c3cc(Br)ccc23)CC1 1891576642 JXANJNDDSSGPLV-UHFFFAOYSA-N 449.392 5.173 30 10 IKEE C=C1C[C@H]1[C@H](NCC)c1sc(Br)c(Br)c1Br 1902355277 HJYTVUSMKXZWRV-MUWHJKNJSA-N 430.003 5.262 30 10 IKEE Cc1ccc(CC(=O)C=Cc2ccc(NC(=O)OC(C)(C)C)cc2)cc1Br 1911861710 VMDBVESUAFEYNP-UHFFFAOYSA-N 430.342 5.930 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C)NCCC 1922104830 UKKSMHCERAOUGL-HJOGWXRNSA-N 430.633 5.601 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H]1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1922124499 HFXGGURVLBGXAA-LWSSLDFYSA-N 428.617 5.163 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 1944713491 MRVATUZFAGNUEW-HXUWFJFHSA-N 429.561 5.276 30 10 IKEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 1945821610 KQWRMQXQVACFJO-QUCCMNQESA-N 437.625 5.635 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1(C)C 1947975084 YDYMJYVIZFDIRH-QHCPKHFHSA-N 433.524 5.249 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@]1(C#N)CCCC[C@H]1OCc1ccccc1 1998813184 GEGLDWPPSBBGJO-RDGATRHJSA-N 440.971 6.503 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@]1(C#N)CCCC[C@@H]1OCc1ccccc1 1998814824 OYWWSVLPBCNCCN-DHLKQENFSA-N 440.971 6.503 30 10 IKEE CCCCCCCCCCCC[C@H](N)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2034426240 KIDRKNXLYOGFKY-DQEYMECFSA-N 448.692 6.735 30 10 IKEE Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)C=Cc1ccc2c(c1)OCO2 2040489333 ALOTVNMXXHAMKK-UHFFFAOYSA-N 427.887 6.488 30 10 IKEE CC[C@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)CN1C(=O)OC(C)(C)C 2040671311 OYAJLXGKXGMIFV-DFBJGRDBSA-N 449.636 6.018 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)cc(Br)c1)NCC 2047968716 UUAOCIOZXWMHMY-IRXDYDNUSA-N 431.802 5.093 30 10 IKEE COc1cc(C(=O)Oc2ccccc2C=C2Sc3ccccc3C2=O)cc(OC)c1OC 2053496939 QFUAEIUSOXUDQZ-UHFFFAOYSA-N 448.496 5.261 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CC1CCC(CNC(=O)OC(C)(C)C)CC1)NCCC 2069864477 MYQUOYXXIRKFCA-OOEPIQFGSA-N 444.660 5.849 30 10 IKEE CC[C@H](c1ccc(C)c(F)c1)n1nc(C(C)(C)C)c(/C=N/O)c1I 2078999846 WQUYKVMMYCCMLH-SBUZPKSBSA-N 443.304 5.040 30 10 IKEE O/N=C/c1c(C2CC2)nn([C@@H](c2ccc(C3CC3)cc2)C2CC2)c1I 2079026837 JPFZVGQFAHLVMY-QKXOWGBTSA-N 447.320 5.050 30 10 IKEE Fc1ccc(Cn2nc(C3CCC3)c(C(F)(F)F)c2Br)c(C(F)(F)F)c1 2079822778 MWIVQXFAAZELLL-UHFFFAOYSA-N 445.176 6.138 30 10 IKEE Cc1sc([C@@H](C#N)C(=O)CSCCc2nc3ccccc3[nH]2)nc1-c1ccccc1 2084270690 QCUXZTSIYRZOEH-KRWDZBQOSA-N 432.574 5.147 30 10 IKEE C=CCN(CC[C@@H](NCC)c1c(C)ccc(Br)c1F)C(=O)OC(C)(C)C 2099288787 VFVXGIYYCRFBGQ-MRXNPFEDSA-N 429.374 5.360 30 10 IKEE C=CCC1(Nc2ccc(C(F)(F)F)cc2Br)CN(C(=O)OC(C)(C)C)C1 2106024191 QBEYBDKVLUCSRW-UHFFFAOYSA-N 435.284 5.445 30 10 IKEE C=CCC1([C@@H](Cc2cc(Br)ccc2Cl)NC)CN(C(=O)OC(C)(C)C)C1 2110505968 GDYPMXUHKCXJHQ-QGZVFWFLSA-N 443.813 5.046 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@](C#N)(Nc3cccc(Br)c3)C[C@@H]21 2166981198 YFXYLMORXYYKOQ-YWMUFLPLSA-N 434.378 5.323 30 10 IKEE CCCN(c1cc(Br)ccc1C#N)C1CCC(NC(=O)OC(C)(C)C)CC1 2174808290 MFVYAPUECZWSGD-UHFFFAOYSA-N 436.394 5.373 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)COC2(CCCCC2)C1 2179042822 JHXWPACMKBWBJW-HXUWFJFHSA-N 435.362 5.576 30 10 IKEE C#CC[C@H]1CCCCN1C(=O)c1cc(NC(=O)OC(C)(C)C)c(C)cc1Br 2180073130 HHSAKEKWSBYSQI-HNNXBMFYSA-N 435.362 5.123 30 10 IKEE CC(C)(C)C#C[C@H](N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2218465629 ILCDVAJXCKIOGR-RPLLCQBOSA-N 429.560 5.255 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1sc(C)c(Br)c1C 2226138823 LVJVQGRYIXOZAA-DOTOQJQBSA-N 443.451 5.475 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)c1c(C)sc(C)c1Br 2275122795 FRUXBGMCZMQKTF-HXUWFJFHSA-N 439.371 5.433 30 10 IKEE CC(C)(C)OC(=O)N1CCN(c2c(Br)cccc2C#N)c2ccccc2C1 2285181861 AVSYRECQDAQCCN-UHFFFAOYSA-N 428.330 5.210 30 10 IKEE C=C(COCc1ccccc1)[C@](C)(OCCC(=O)O)c1ccc(F)c(Br)c1 2291627105 KEWWKIGXMORFTO-NRFANRHFSA-N 437.305 5.068 30 10 IKEE Fc1cccc(-n2cc(C=NNC(=S)Nc3ccc(Cl)cc3)c(-c3ccccc3)n2)c1 2296405150 ORQOBTCWRYQYIB-UHFFFAOYSA-N 449.942 5.652 30 10 IKEE Cc1cc(C)cc(N=C2NC(=O)C(=Cc3ccc(-c4cc(Cl)ccc4Cl)o3)S2)c1 2297298468 MBEVVNJRKJPSEU-UHFFFAOYSA-N 443.355 6.762 30 10 IKEE Cc1ccc(N=C2C(=CNc3ccc(C)cc3)CCc3c2c(C)nn3-c2ccccn2)cc1 2297463918 PUPPBZVRWXBMAI-UHFFFAOYSA-N 433.559 6.256 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2302797145 XYKRJTGVWUJOKC-AQNXPRMDSA-N 435.609 5.532 30 10 IKEE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2314437745 VQMJAXVOTIMBHC-UHFFFAOYSA-N 441.266 5.837 30 10 IKEE O=C1C(=Cc2c(Cl)cccc2Cl)SC(=Nc2ccccn2)N1C1CCCCC1 2314541642 PKBGSWUNRNATQX-UHFFFAOYSA-N 432.376 6.325 30 10 IKEE CN(C)c1ccc(C=C2SC(=Nc3ccncc3Cl)N(c3ccccc3)C2=O)cc1 2314542632 NKSYNFMSCQOAJI-UHFFFAOYSA-N 434.952 5.610 30 10 IKEE CN1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=Nc1ccncc1Cl 2314542749 NZEXJASIGXVMLL-UHFFFAOYSA-N 440.868 5.137 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2321348391 HCOWLAKOCDKXMP-RBUKOAKNSA-N 445.535 5.249 30 10 IKEE Cc1ccc(CN2COc3cc(C)c4c(c3C2)OC(=Cc2ccc(C(C)C)cc2)C4=O)cc1 2321958675 DVKVJAAKZZNLRR-UHFFFAOYSA-N 439.555 6.395 30 10 IKEE O=C1C(=Cc2c(F)cccc2Cl)Oc2c1ccc1c2CN(C2CCCCCC2)CO1 2322076114 QABXKJSUNCLORS-UHFFFAOYSA-N 427.903 5.970 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2ccc(C)cc2)cc1C 2322416352 WUDZBPMKYCMWJP-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE COC(=O)c1ccc(COc2ccccc2C=CC(=O)c2ccc(Br)cc2)o1 2322416414 FVFJZYOLGGBTOK-UHFFFAOYSA-N 441.277 5.304 30 10 IKEE O=C(COc1ccc2ccccc2c1C=CC(=O)c1ccc(Cl)cc1)Nc1nccs1 2322528498 UTUFPMOLASHCCG-UHFFFAOYSA-N 448.931 5.863 30 10 IKEE COc1cc(Br)cc(C=CC(=O)c2ccccc2)c1OCc1cccc(F)c1 2322546983 ICZIMWARIVARCK-UHFFFAOYSA-N 441.296 6.072 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cc(Cl)ccc2OCc2cccc(F)c2)c1 2322667141 ZRYFBCIKKLCYNA-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE Cc1c(OC(=O)Cc2ccc(Cl)cc2)ccc2c1OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2322900958 LYAURJNECMYOCF-UHFFFAOYSA-N 449.846 5.321 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OC(=O)C=Cc3ccc(C)cc3)cc(C)c2C1=O 2323065002 NFGMOXAWABGHDW-UHFFFAOYSA-N 440.495 5.937 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3ccc(C)cc3)c2)cc1C 2323078696 RQKFPYMVTHHBMG-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OCC(=O)Nc2cccc(C)c2C)c1 2323332309 WSLUOUFTBYZTQA-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE Cc1c(OC(=O)C=Cc2cccc([N+](=O)[O-])c2)ccc2c1OC(=Cc1ccccc1F)C2=O 2323435552 KYCCJAFJBZZGQG-UHFFFAOYSA-N 445.402 5.277 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3nccs3)c(Cl)c2)c(C)c1 2323854671 MMJSNBRUHWTDMD-UHFFFAOYSA-N 426.925 5.327 30 10 IKEE CC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(Cl)c2)C3=O)c1 2323900573 HCOZYLLNDGIFQM-UHFFFAOYSA-N 448.858 5.409 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OC(=O)c4cccc(OC(C)=O)c4)c3C)C2=O)cc1 2323900940 RXWFMFHEYDTYJG-UHFFFAOYSA-N 442.467 5.318 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OCc3cccc(C)c3)c(OC)c2)c(C)c1C 2324304753 JZGMRSMQDFQMSR-UHFFFAOYSA-N 446.543 6.113 30 10 IKEE CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1ccc(C)o1)C2=O 2324325113 KTBQSMJLJRSLLG-MRXNPFEDSA-N 433.460 5.009 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OCC(=O)N(CC)CC 2324455834 GEIRWBOUYWMLMX-UHFFFAOYSA-N 435.564 5.184 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)ccc1OCCc1ccccc1 2324586157 CYPHGTOPCHSUGM-UHFFFAOYSA-N 428.572 6.819 30 10 IKEE C=CCOc1c(CC=C)cc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1OC 2324599270 INDYLUBKBFQAIE-UHFFFAOYSA-N 433.331 6.200 30 10 IKEE COc1ccccc1C=Nn1c(Cc2ccccc2)nnc1SCc1ccc(F)cc1 2325471074 CPBGXMLBZXDBOS-UHFFFAOYSA-N 432.524 5.191 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(C)cc3)c2)cc1OC 2325702427 WNZPRWBFNGJGIW-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE CN(C)c1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(Cl)cc3Cl)c2)cc1 2325709623 KZLAVGZGZWOOQT-UHFFFAOYSA-N 440.326 6.175 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(F)cc3F)c2)cc1 2325711190 QDXDUYLIVJTZRO-UHFFFAOYSA-N 434.482 6.352 30 10 IKEE CCc1ccccc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccccc1F)C2=O 2325737423 UBNRFMDAVRJJDB-UHFFFAOYSA-N 431.463 5.330 30 10 IKEE CCCCCCC(=O)Oc1cccc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)c1 2325767121 UTIHQNRZVUMFGE-UHFFFAOYSA-N 435.347 6.774 30 10 IKEE CCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccccc1 2325809305 BOSLKUTZHZBDPR-UHFFFAOYSA-N 428.989 5.554 30 10 IKEE Cc1[nH]c2ccccc2c1C=Nn1c(Cc2ccccc2)nnc1SCc1ccccc1 2326232144 WAUICYDIZQBGLS-UHFFFAOYSA-N 437.572 5.833 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1cccc(OCC)c1OC 2326416008 WROIHYIWTUPVRR-UHFFFAOYSA-N 438.597 5.429 30 10 IKEE CCCOc1ccccc1C=Nn1c(Cc2cccc3ccccc23)nnc1SCC 2327739363 DVNMBEAWDHMIIG-UHFFFAOYSA-N 430.577 5.805 30 10 IKEE CCCSc1nnc(COCc2ccccc2)n1N=Cc1cccc(Br)c1 2329354532 QMFZSIYKLSUGOD-UHFFFAOYSA-N 445.386 5.142 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2sccc2C)cc1C 2329422107 PYOUJWKXDLBRSX-UHFFFAOYSA-N 432.618 6.030 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3Cl)n2N=Cc2ccc[nH]2)cc1C 2329429764 GHOGPIKXOKNXCL-UHFFFAOYSA-N 435.984 5.642 30 10 IKEE CCCOc1ccc(C=Nn2c(SC)nnc2-c2ccccc2Cl)cc1OCC 2329520682 DBCAYAHAHVQGTI-UHFFFAOYSA-N 430.961 5.390 30 10 IKEE C=C(C)CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1cccc(Br)c1 2330102023 XVWXTWPVJQRMBF-MRXNPFEDSA-N 441.398 5.743 30 10 IKEE CCCN(CCC)C(=O)CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1ccccc1 2330129091 JCRDZQRQNGFFIS-FQEVSTJZSA-N 449.624 5.053 30 10 IKEE CCCSc1nnc(CCc2ccccc2)n1N=Cc1ccc(OCC)c(OCC)c1 2330202605 PQXXQZRRZFVXLP-UHFFFAOYSA-N 438.597 5.245 30 10 IKEE CCSc1nnc(CC2CCCCC2)n1N=Cc1cccc(OCc2ccccc2)c1 2330258187 KLMHQERVXOZKOF-UHFFFAOYSA-N 434.609 5.974 30 10 IKEE CCSc1nnc(Cc2ccccc2)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2330473736 GAIGVSNVXVWCPY-UHFFFAOYSA-N 442.544 5.082 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCc3ccccc3Cl)nnc2-c2ccccc2)c1 2330675076 GHKLVTXIEBZTRG-UHFFFAOYSA-N 434.952 5.787 30 10 IKEE Cc1cncc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)CCCC4)cc2Cl)c1 2330684572 ZLQDKFDPTXGPHK-UHFFFAOYSA-N 431.919 6.038 30 10 IKEE Cn1cccc1C=Nn1c(CC(C)(C)C)nnc1SCc1ccc(Cl)c(Cl)c1 2330874402 IPLIJUHMMZDNAF-UHFFFAOYSA-N 436.412 5.687 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2[C@@H]2CCCO2)cc1 2330935315 WBFAMGCXBIFDAI-NRFANRHFSA-N 440.544 5.232 30 10 IKEE Fc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2-c2ccco2)c(F)c1 2331210580 UEYFYJSTFOLACS-UHFFFAOYSA-N 430.867 5.644 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)Cc1ccc(F)cc1F 2331232891 WLEOCFHJLITDMO-UHFFFAOYSA-N 436.454 5.634 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccc(C)c(C)c3)c(Cl)c2)cc1 2331259969 AUDRDHBTZYZLSU-UHFFFAOYSA-N 434.919 6.146 30 10 IKEE Cc1ccccc1CCC(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1 2331397443 CQMNVIZBPGABJL-UHFFFAOYSA-N 428.484 5.201 30 10 IKEE CC(C)Cc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccccc1C(=O)O 2331463451 JWVKGLLZHILOBG-UHFFFAOYSA-N 444.560 5.503 30 10 IKEE Fc1cccc(Cl)c1C=Nn1c(SCc2cccc(Cl)c2)nnc1C1CCC1 2331541541 AOAJAMUVHXUPMR-UHFFFAOYSA-N 435.355 6.166 30 10 IKEE C[C@@H](C(=O)Oc1ccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1)c1ccccc1 2331592652 NFSOGOSMXFVAPU-JOCHJYFZSA-N 448.518 7.084 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc(OC)c1OC(=O)CC(C)(C)C 2331661627 SBGUZGCWQUWCAO-UHFFFAOYSA-N 440.536 5.567 30 10 IKEE CCC(=O)Oc1c(Cl)cc(C=CC(=O)c2cc(Cl)c(OC)cc2OC)cc1OC 2331695374 YHXDEYJISOQJAZ-UHFFFAOYSA-N 439.291 5.231 30 10 IKEE C=CCC(CC=C)[C@@H](NC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2364013411 QLXZONOQLFPIEG-WOJBJXKFSA-N 437.422 5.241 30 10 IKEE CCCN[C@H](C#C[C@@H]1CC1(F)F)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2366692394 VRSILCCBEMZJTI-CZUORRHYSA-N 443.332 5.495 30 10 IKEE COc1ccc(Oc2cccc3c2C(=O)/C(=C/c2sccc2C)[C@@H]3c2ccccc2)cc1 3133480 CKXIMKVRRMPBQZ-CVMWMZFYSA-N 438.548 7.269 30 10 IKEE CCc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(OC)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 6733084 NXIUQVDDGSOMDX-QFIPXVFZSA-N 427.548 5.848 30 10 IKEE C=CCn1c(SCc2cccc(C(=O)O)c2)nc2scc(-c3ccccc3)c2c1=O 9041648 UGIZJRDYRRSOQT-UHFFFAOYSA-N 434.542 5.302 30 10 IKEE Cc1cc(C(=O)C[C@@H]2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)ccc1Cl 15055068 JBXDRPNKAFWALY-NCEYNEKKSA-N 434.948 6.058 30 10 IKEE O=C(/C=C/c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)c1ccccc1 20509962 YGDXBCKMROYHHD-PQHBRNLVSA-N 428.535 6.938 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(OCC(C)C)cc2)cc1 21224338 YRIUKPJMPCAAMA-ZJSXRUAMSA-N 447.575 5.515 30 10 IKEE CCOc1cc([C@@H]2C3=C(C[C@H](c4ccc(OC)cc4)CC3=O)Nc3onc(C)c32)ccc1O 28052479 KZEZWLRCMNIYKK-XDHUDOTRSA-N 446.503 5.054 30 10 IKEE C=CCc1ccccc1OCCCn1c(COc2cccc(OC)c2)nc2ccccc21 40234593 RTZSUFZSUKZZBO-UHFFFAOYSA-N 428.532 5.822 30 10 IKEE COC(=O)c1ccc(COc2ccc3c(c2C)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1 41501913 JUGSUYGATLEZJD-MYYYXRDXSA-N 442.511 6.100 30 10 IKEE Cc1cc(/C=C2/S/C(=N/c3ccccc3)NC2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 59433493 UOEIEJCLHRAKSE-RGVLZGJSSA-N 442.371 6.293 30 10 IKEE Cc1cccc(NC(=O)c2cnn3c2NC2=C(C(=O)CC(C)(C)C2)[C@H]3c2ccccc2)c1 64873947 ZWQGFFFWTRPOAI-HSZRJFAPSA-N 426.520 5.102 30 10 IKEE Cc1sc2nc(C)n(Cc3cccc(C#N)c3)c(=O)c2c1-c1ccc(Cl)c(Cl)c1 96525569 BXNUPKJZGQFMLF-UHFFFAOYSA-N 440.355 5.969 30 10 IKEE CCCCOc1ccc(/C=N\CCCCCC/N=C\c2ccc(OCCCC)cc2)cc1 100178897 YVCZIWWQPNEJPY-HONQWNAWSA-N 436.640 7.143 30 10 IKEE CCCCCCCOc1cccc(NC(=O)[C@@H](CC)Oc2ccccc2[C@@H](C)CC)c1 100260721 URNCFDVOIJJMDA-SQJMNOBHSA-N 425.613 7.345 30 10 IKEE COc1ccc(C(=O)O/N=C2/C[C@@]3(C(=O)Nc4ccc(C)c(C)c4)CC[C@@]2(C)C3(C)C)cc1 100963335 WULJZEQYEHEHDW-QXOXRTFWSA-N 448.563 5.680 30 10 IKEE CCCCCCCCCCn1c([C@@H](C)NC(=O)c2ccccc2OC)nc2ccccc21 102116000 GCABMJCQWNEACH-OAQYLSRUSA-N 435.612 6.677 30 10 IKEE O=C1/C(=C\c2ccccc2)S/C(=N/c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 103674614 DVQCBBLRVBYYFY-RIUHWNRSSA-N 425.340 6.802 30 10 IKEE CCCCCCCCCOc1ccc([C@H]2NC(=S)NC3=C2C(=O)CCC3)cc1Cl 169938987 XDQVEDJDIYRMDN-JOCHJYFZSA-N 435.033 5.995 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccc(O)cc2)c1C 169960946 WUBNPKQVXPNJLX-SANMLTNESA-N 449.506 5.945 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@@H]1c1ccc(O)cc1 169961017 OITPJVZYHAQKOH-XMMPIXPASA-N 443.499 5.109 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1ccc(O)cc1)c1cc2ccccc2o1 169964088 HZAVJXYHIDRTMX-JOCHJYFZSA-N 447.393 5.200 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2cccc(C)c2)cc1 169970945 CUPKHPRVKRRFAU-DEOSSOPVSA-N 443.499 5.191 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2)cc1 169974869 MULDKBNEZGTQGV-HSZRJFAPSA-N 445.946 6.420 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCCC2)cc1 170031714 RDBVVSNNDZYNKN-JOCHJYFZSA-N 439.939 5.650 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccc(Cl)cc1)c1cc2ccccc2o1 170057448 IEXJZQUYABUIQM-QFIPXVFZSA-N 447.849 6.008 30 10 IKEE CCCCCCCCN1C(=O)C(SCc2ccco2)=C(c2ccccc2OC)C1=O 170060110 LYUBFVIOWYZBBC-UHFFFAOYSA-N 427.566 5.662 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2ccc(F)cc2)c1 170061296 NUKKPNHLHRDXDI-XMMPIXPASA-N 429.491 5.842 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(C)cc2C)=C(N(CC)c2ccccc2)C1=O 170095025 RGCVHAQPXQYAJF-UHFFFAOYSA-N 432.608 6.270 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@H]2c2ccc(C)o2)c1 170101081 DWISUYZZZAFNEH-FQEVSTJZSA-N 441.842 5.172 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccncc2)cc1C 170202246 FUPQBXUMYFLKSJ-VWLOTQADSA-N 438.527 5.360 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccccc2)c1 170228373 JNNWJHPCBUAPNT-DEOSSOPVSA-N 438.483 5.128 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 170256287 VFYINJXXZNOFLY-HSZRJFAPSA-N 425.488 5.170 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)C)cc2)[C@H]1c1ccco1 170281060 JPBXWPXOKKAPJS-QHCPKHFHSA-N 431.488 5.503 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(Cl)cc4)[C@H]3c3ccco3)oc12 170286761 VKUOIZDGGYQHDC-FQEVSTJZSA-N 449.846 5.471 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)(C)C)c2)[C@@H]1c1ccc(C)o1 170309205 XEYLWELGFIIYSY-QFIPXVFZSA-N 439.552 5.663 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1sccc1C 170319370 VJAMUAXZUIXAGY-OAQYLSRUSA-N 441.593 5.860 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2cccc(OCCC)c2)cc1 170323630 LSWVRTKCPOWWIM-QHCPKHFHSA-N 437.536 5.253 30 10 IKEE CC(C)Oc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 170347163 XVWGPQCSXSFDPX-JOCHJYFZSA-N 444.512 5.190 30 10 IKEE COc1ccc(Nc2nc(SC)nc(-c3cccc(Cl)c3)c2C#N)cc1[N+](=O)[O-] 243121197 JHRPOPRPXFZOLH-UHFFFAOYSA-N 427.873 5.051 30 10 IKEE CCOc1ccc2ccccc2c1/C=C1/SC(=Nc2ccccc2)N(CCOC)C1=O 252592754 BGOFCPTWTLESKZ-SUOSWRNOSA-N 432.545 5.489 30 10 IKEE CC(=NOCc1ccc(C)cc1)c1cc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)c1C 254706364 REUBHAULPPQTJO-UHFFFAOYSA-N 430.498 6.980 30 10 IKEE COCCN1C(=O)/C(=C/c2cn(C(C)C)c3ccccc23)SC1=Nc1ccc(OC)cc1 254814214 CFFJQCHIQBJBOM-ARKVWGHASA-N 449.576 5.481 30 10 IKEE CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(Br)c(Br)c2)CC1 382048482 LUHANQRVPXPNDZ-UHFFFAOYSA-N 444.167 5.004 30 10 IKEE CCCCCCC[C@H](NCCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 406912192 XSYHKMNMYYCCON-IBGZPJMESA-N 441.454 7.197 30 10 IKEE CCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1cc(Cl)c(O)c(Cl)c1O 526804046 CXOKJSRGSJFIPU-AFPJDJCSSA-N 437.352 5.041 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1cccc(OC(C)C)c1 526807256 QMWNBUXQRUVUPL-MYYYXRDXSA-N 443.016 6.236 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1cc(Cl)c(O)c(OC)c1 526808290 GASZIXQHUYNEMJ-CFRMEGHHSA-N 444.988 5.471 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1c(C)[nH]c2ccccc12 526817474 NQRROUYJRRLKAW-MYKKPKGFSA-N 427.936 5.597 30 10 IKEE CCCCCCOc1ccccc1C(=O)/C=N\n1cnnc1SCc1ccc(C#N)cc1 526823710 ZVJBPZCVDCVOEL-YUMHPJSZSA-N 447.564 5.118 30 10 IKEE CCc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2ccc(C(C)(C)C)cc2)cc1 586241629 MHTBNZMKGAJSLH-UHFFFAOYSA-N 432.589 5.814 30 10 IKEE CC(C)COc1ccc(N(CCCC#N)S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 586243463 OOWSPJDAIOBSQL-UHFFFAOYSA-N 441.380 5.527 30 10 IKEE C=CCC[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCCC 686842162 VUIWZTHZQWGVTK-HSZRJFAPSA-N 429.649 5.270 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@H](C#N)c1cc(Br)c2c(c1)OCO2 698374603 XVXOWEMSOATHRW-MRXNPFEDSA-N 431.286 5.184 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCN(C(=O)OC(C)(C)C)[C@H]1C 698375117 RKSVCOVXIKFLTO-XDHUDOTRSA-N 445.560 5.118 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@H](C#N)c1cc(Br)c(Cl)s1 698418943 NVLVJHVDRPUKAQ-ZDUSSCGKSA-N 433.799 6.298 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c1 698470377 PYUSDOHYGQCOEN-BPJRARJCSA-N 441.572 5.274 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@@]1(C#N)CCc2c(Br)cccc21 698850488 JSZBFZPLPVBKET-OAQYLSRUSA-N 431.305 5.695 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1 698924269 SBUFMXMUHIFPEK-VWLOTQADSA-N 444.531 6.281 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2cccc(I)c2)cc1 698982469 AMRFZWQRVODNPE-GOSISDBHSA-N 448.304 5.606 30 10 IKEE Fc1ccccc1COc1ccc2ccccc2c1C=NNc1nc2ccccc2s1 1081086667 KNEUQBUYLQHHTB-UHFFFAOYSA-N 427.504 6.614 30 10 IKEE Cc1ccc(NC(=O)CSc2nc3ccc(N=Cc4ccccc4O)cc3s2)c(C)c1 1084366067 GVFAGLKIUQSCRN-UHFFFAOYSA-N 447.585 6.100 30 10 IKEE C[C@@H]1CCCCN1/C(=N/C[C@@H]1CCC[C@H](CN)C1)Nc1ccc(OCc2ccccc2)cc1 1088736257 PZHNPGMQEPZCPR-PZUNEJSGSA-N 448.655 5.673 30 10 IKEE C=CCN1C(=O)/C(=C\c2cccc3ccccc23)SC1=Nc1ccc(C(=O)O)c(O)c1 1772761132 XGGPAGIAQNRKRN-QJDZWDSLSA-N 430.485 5.034 30 10 IKEE Cc1nnsc1C(=Nc1ccc(Cl)cc1Cl)Oc1cccc(C(F)(F)F)c1 1848353064 ZHYZJRFRGPDLAV-UHFFFAOYSA-N 432.254 6.329 30 10 IKEE Fc1ccc(-c2c(F)c(F)c(F)c(F)c2F)nc1-c1c(F)c(F)c(F)c(F)c1F 1848358450 GDROOEYLBDSUBY-UHFFFAOYSA-N 429.188 5.946 30 10 IKEE CCOc1cccc(/C=C/C(=O)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)c1 1860730010 VEYOOYGSFVZORG-OVCLIPMQSA-N 435.907 5.539 30 10 IKEE CCCCCCCCNC(=O)[C@H](CC(C)C)NC(=O)c1c(Cl)ccc(Cl)c1OC 1861149396 UETRYDVRILLTAB-SFHVURJKSA-N 445.431 5.623 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2ccccc2C)cc1C 1862400759 MGCQKXGIKYRIOT-VWLOTQADSA-N 441.527 5.399 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc(C(F)(F)F)cc2)cc1C 1862406468 QOEJIKZJKWFXES-FQEVSTJZSA-N 447.453 5.257 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2cc(Cl)cc(Cl)c2)cc1C 1862408053 CSTQGQWVQDTFMS-LJQANCHMSA-N 434.319 5.297 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccccc1C 1862412089 WMOWFHNVPPJZKA-QFIPXVFZSA-N 443.490 5.058 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862431877 QKQMOAHLCHWJDI-MZNJEOGPSA-N 445.946 6.242 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccncc2)cc1 1862433110 VGWOZZXAAFKVDR-HSZRJFAPSA-N 446.934 5.637 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(Cl)cc1Cl 1862467303 MYEBBEQZJXCPSU-QGZVFWFLSA-N 442.220 5.175 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2ccc(F)cc2)cc1 1862474231 LJZSIXOAPYFOQJ-DEOSSOPVSA-N 429.491 5.529 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2cc(Cl)cc(Cl)c2)cc1 1862481439 AHUYLRLKSQBUMX-ICSRJNTNSA-N 446.330 5.059 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2[C@@H](C)CC)c1 1862510925 LBDNMHXHKLRBNZ-AOMKIAJQSA-N 425.500 5.300 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc(Br)c3)=C(O)C(=O)N2C2CCCC2)cc1 1862523670 MUNNRWANXLJLGU-FQEVSTJZSA-N 440.337 5.278 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2cccc(OC)c2)cc1 1862529769 JUIJYWIWRLTENS-RUZDIDTESA-N 447.575 5.949 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862561119 QQQQCWDOCTZDDW-XMMPIXPASA-N 444.506 5.310 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862582789 MLUJWSFYVPNFNF-ZMZPIMSZSA-N 449.290 5.278 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(Cl)c1 1862584088 PSHJUWXKAIYUPS-GOSISDBHSA-N 438.738 5.881 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2ccccc2)cc1 1862589934 XBXVRUAABXWDTR-BXKMTCNYSA-N 427.500 5.294 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1cccc2ccccc12 1862592646 HNLYIPQYWYFQPV-HGMMTPDKSA-N 441.527 5.702 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1cccc2ccccc12)c1cccc(O)c1 1862593201 FFNWWEAJBKFLHK-AREMUKBSSA-N 449.506 5.366 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(C(=O)O)cc1 1862651682 XHLBMYLFANDSHE-QHCPKHFHSA-N 443.499 5.307 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc2ccccc12 1862653767 VHLPSGVQAZMGLB-WXTAPIANSA-N 435.523 6.370 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(F)cc2F)cc1 1862660221 HDEGGZPALZWJBX-QHCPKHFHSA-N 439.502 5.999 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(C)cc1 1862687890 QZUAZYBPVKBVMN-QPPBQGQZSA-N 435.564 5.941 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1c(F)cccc1Cl 1862727670 JVESKWHPQFSAJM-HSZRJFAPSA-N 449.909 6.134 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(N(C)C)c2)=C(c2ccc(C)c(C)c2)C1=O 1863254456 CQFDZJVZGSAWPQ-UHFFFAOYSA-N 447.623 5.922 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)NCc1ccccc1OC(C)(C)C 1866029767 GKOWMENAKBVOBH-UHFFFAOYSA-N 445.732 8.742 30 10 IKEE CC(C)c1nc(Nc2ccccc2C#N)cc(N2C[C@@H](C)N(c3ccccc3)[C@H](C)C2)n1 1868237654 BLFYFTHUMZWAFO-WOJBJXKFSA-N 426.568 5.319 30 10 IKEE C=CCN(CC=C)c1cc(N2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)nc(-c2ccccc2)n1 1869206647 LVFCGXYRXBGZFJ-GBXCKJPGSA-N 444.554 5.428 30 10 IKEE C=CCn1cc(OCC(=O)OCCCCCC)c(=O)cc1CSc1ccc(C)cc1 1870253650 SPJLBOYMFNHUDT-UHFFFAOYSA-N 429.582 5.137 30 10 IKEE CCCCCCCCCCn1cc(OCCO)c(=O)cc1CNc1ccc(Cl)c(C)c1 1870792055 XXCSDEGETZUWKJ-UHFFFAOYSA-N 449.035 5.934 30 10 IKEE C=CCn1cc(OCCCCCCC)c(=O)cc1CNc1ccc(-c2ccccc2C)cc1 1870835719 FZYYBUXWKHFWEU-UHFFFAOYSA-N 444.619 6.971 30 10 IKEE COc1ccc(CCN2COc3cc(C)c4c(c3C2)O/C(=C\c2cccc(F)c2)C4=O)cc1 1871345572 NEHLRQOFYDMVPQ-OYKKKHCWSA-N 445.490 5.154 30 10 IKEE COc1cccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(C2CCCCCCC2)C4)c1 1871349348 PKCANFRJEQLICI-IWIPYMOSSA-N 433.548 5.885 30 10 IKEE CCOc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN([C@@H]2CCCC[C@@H]2C)C4)cc1 1871351220 QFJGVOHOLZEDLV-ZILMSGENSA-N 433.548 5.741 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3c(cc4c(c3C)OCN([C@@H]3CCCC[C@@H]3C)C4)C2=O)c1 1871355868 KFPCLAHVMHMLHM-UFQBDSPNSA-N 449.547 5.359 30 10 IKEE Cc1c(OC(=O)c2cccc(Br)c2)ccc2c1O/C(=C\c1ccco1)C2=O 1871363986 ARYHILKLBNLESY-WQRHYEAKSA-N 425.234 5.186 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OC(=O)Cc4ccc(F)cc4)ccc3C2=O)cc1 1871372005 UUSOHBAMOMHHCO-MYYYXRDXSA-N 445.490 5.436 30 10 IKEE Cc1cc(OC(=O)c2cccc(OC(C)C)c2)cc2c1C(=O)/C(=C/C=C/c1ccccc1)O2 1871388376 SCNUUIOPUNJECE-KIKGYRQASA-N 440.495 6.174 30 10 IKEE CC(=O)c1cccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2C)C3=O)c1 1871438815 SUSJLFJEHGFETR-OYKKKHCWSA-N 441.483 5.140 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccccc1 1872009799 HJXHTDBETHPZFB-QHCPKHFHSA-N 442.625 5.358 30 10 IKEE C=CCN([C@@H](CC)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872499988 VSQQWGCOHXQZQN-NRFANRHFSA-N 449.016 5.168 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(C)cc1C)[C@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872549258 UAGBTXKRPXLWAN-NTKDMRAZSA-N 442.625 5.150 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(Oc4ccccc4)c3)n2)cc1 1872764713 VXEPLMTVQPGUCD-JOCHJYFZSA-N 426.497 6.101 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCCCNC(=O)c3ccccc3)n2)cc1 1872769749 AYLTVNUOLYWAQM-OAQYLSRUSA-N 431.561 5.285 30 10 IKEE CCCCCCCOc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(C)c3)n2)cc1 1872777417 NEVHFFFBQZPORM-HSZRJFAPSA-N 432.589 6.958 30 10 IKEE C=CCOc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2cc(C)cc(C)c2OC)cs1 1872781687 XRXWAGRYRKSFBW-IBGZPJMESA-N 448.544 5.256 30 10 IKEE CCCc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1 1872785414 MMWDEBWCPJKBOQ-HSZRJFAPSA-N 446.616 6.624 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)Cc3cccc4ccccc34)n2)cc1C 1872787601 NISANWPNDGOEQC-QFIPXVFZSA-N 426.541 6.008 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@@H](C#N)C(=O)[C@H](C)Oc2ccc(Cl)cc2)n1 1872788315 GVDXSXXACCKUDY-SJCJKPOMSA-N 447.343 5.769 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@H](C#N)C(=O)COc2ccc(C)cc2C)n1 1872788631 MUNNREALYSBSJL-QGZVFWFLSA-N 426.925 5.344 30 10 IKEE CCCCCCCCN1C[C@@H](C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)CC1=O 1873015589 XUEZIMSQKLTYPY-UXHICEINSA-N 441.641 5.211 30 10 IKEE CCCCCCCCCCNC1=C(c2c(C)cc(C)cc2C)C(=O)N([C@@H](C)CC)C1=O 1873119779 NHXSSECYHYSNPS-QFIPXVFZSA-N 426.645 6.221 30 10 IKEE CCOc1cc(/C=N/Nc2ccc(Cl)c(Cl)c2)ccc1OCc1cccc(Cl)c1 1873498803 LCRFEBHRIGPCQG-LGJNPRDNSA-N 449.765 7.071 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CCc2ccccc2Cl)nnc1SCCC 1874279466 JFHRGHZSZXFRLB-KOEQRZSOSA-N 441.000 5.666 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CCc2ccccc2OC)nnc1SCCC 1874313562 AKMCHGPNKZGSNS-XIEYBQDHSA-N 436.581 5.021 30 10 IKEE Cc1cccc(OCc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccc[nH]2)c1C 1874323164 AYNNNFPQPCYYJR-LGJNPRDNSA-N 435.528 5.116 30 10 IKEE Cc1ccc(/C=N/n2c(CCc3ccccc3C)nnc2SCc2cccc(F)c2)cc1 1874361226 FWNLYVZEUUTXEL-OGLMXYFKSA-N 444.579 5.994 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2c[nH]c3ccccc23)cc1 1874415524 UTPXKWHRIKEWLC-OGLMXYFKSA-N 437.572 5.833 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccccc3)n2/N=C/c2cccc(Cl)c2)c1 1874428555 OMHCDGVIYZLUHK-CVKSISIWSA-N 432.980 6.390 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2c(F)cccc2Cl)nnc1[C@H]1CCCO1 1874453278 GBMUGLWUBQYWCZ-QVHMZZSFSA-N 430.936 5.405 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(O)c(OC)c1 1874479433 ZYAXFNNZAANLBT-WGOQTCKBSA-N 446.576 5.663 30 10 IKEE C=C(C)CSc1nnc(C(C)(C)C)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874482090 VGRYLQGBTXPRGT-MFKUBSTISA-N 434.565 5.345 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1cc(OC)ccc1OC 1874509648 NRODZDBJCRTAFY-WYMPLXKRSA-N 448.951 5.215 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(SCc2cccc3ccccc23)nnc1C(C)C 1874514817 IIJKHDAANNRHQJ-JVWAILMASA-N 444.604 6.516 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccccc1[N+](=O)[O-] 1874527867 IJIIAELDTYFAAN-UFFVCSGVSA-N 436.324 5.230 30 10 IKEE C[C@H](c1ccccc1)c1nnc(S)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874561366 ONUJDNNBHKLNBC-CIRUFVMISA-N 448.979 5.833 30 10 IKEE CCc1ccc(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc(OC)c(C)c2)cc1 1874573876 JKIHFTTVVQNLFI-RVDMUPIBSA-N 429.516 5.480 30 10 IKEE O=C(COc1ccccc1/C=C/C(=O)c1ccc(Cl)c(Cl)c1)Nc1ccccc1 1874578963 PCWCTYFJKNCBGP-ACCUITESSA-N 426.299 5.907 30 10 IKEE COC(=O)COc1c(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc(Cl)cc1OC 1874584841 DVZUAUUVOFTEIP-BQYQJAHWSA-N 446.927 5.237 30 10 IKEE O=C(COc1cccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1)NCc1ccco1 1874596096 GLXRDQJITJKKCY-RMKNXTFCSA-N 430.287 5.178 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OCc1c(Cl)cccc1Cl 1874598170 YEVUTVBRUPWOGS-VZUCSPMQSA-N 431.290 6.616 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(-c2ccccc2)cc1 1874601621 UEYLGTHAMKRJTF-VXLYETTFSA-N 435.479 6.737 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(Cl)c1OCc1ccc(F)cc1 1874602528 QZLVZPXQUCSFSY-MDWZMJQESA-N 446.905 7.116 30 10 IKEE CCN(CC)C(=O)COc1c(OC)cc(/C=C/C(=O)c2ccc3ccccc3c2)cc1OC 1874602667 XYZWQXPHZUQWLY-SDNWHVSQSA-N 447.531 5.000 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccc(C)cc1 1874610221 HHHIGTPXMYSHSR-XNTDXEJSSA-N 443.499 6.115 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Cl)c1OCc1ccc(Cl)cc1 1874611458 KLVSJVHWEJIHTL-RUDMXATFSA-N 449.280 6.755 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OCC(=O)Nc1ccc(F)cc1 1874617934 AKQLLFPGNXHRSN-NTUHNPAUSA-N 447.506 5.755 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1 1874623334 XVITYMXBYHWNCG-DGKKPVBHSA-N 427.544 5.962 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)c(OC)c1 1874632740 RXZMBYJHUCQXLH-VZUCSPMQSA-N 426.871 5.971 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(C)cc(C)c1 1874668538 IURCFHDVLOZTKS-SANMLTNESA-N 447.623 5.603 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(C)c(C)c3)c2)cc1 1874702297 XHAQFRYNUWBFLZ-VGOFMYFVSA-N 444.527 6.216 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OC(=O)CC(C)C 1874703885 MKNPRLDUGIHUOF-SOFGYWHQSA-N 449.316 5.753 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(Cl)c1OC(=O)C1CCCC1 1875096730 CATUXMQQKYIINP-JLHYYAGUSA-N 438.951 6.219 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(Cl)c1OC(=O)[C@@H]1CCCO1 1875097166 XYFGKIHNFCYZQL-NJTIBFSMSA-N 440.923 5.208 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(CC)cc2)cc1Br 1875101586 WQKXRSZKDXAPMO-RVDMUPIBSA-N 443.381 6.783 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)c3ccccc3)c(Cl)c2)cc1C 1875108643 YMBVVCRUAFWXMS-ZPHJMFTNSA-N 434.919 6.262 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccco3)cc2)cc1OCCC 1875123808 GBFLIBLONOQXTE-UKTHLTGXSA-N 434.488 5.973 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)c1ccccc1C 1875140032 MNOWXFNAABMBJM-CCEZHUSRSA-N 440.539 6.464 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1Br 1875155287 UQGDOLPPDMQVFZ-WYMLVPIESA-N 437.333 6.594 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)c1ccccc1F 1875160672 XNYCUUBPGPLYKZ-RMKNXTFCSA-N 446.808 5.881 30 10 IKEE C=CCCCCSC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1882188974 OJNGCAZHEPHORU-QFIPXVFZSA-N 425.550 5.068 30 10 IKEE CC1(C)OB([C@]2(C)CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)OC1(C)C 1891516575 IPYWKAIPJKXDLA-AREMUKBSSA-N 433.357 5.494 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(CCC[C@]2(C#N)N(C(=O)OC(C)(C)C)C2CCCC2)C1 1918268908 VZGKWCGPAGYWEY-BJKOFHAPSA-N 433.593 5.240 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C)NCCC 1922095427 UKKSMHCERAOUGL-HJOGWXRNSA-N 430.633 5.601 30 10 IKEE C=C(COCc1ccccc1)[C@H](NC)c1cc(Br)sc1Br 1922116581 RNGLJYNGEIZZSY-HNNXBMFYSA-N 431.193 5.307 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@]1(C#N)CC(C)(C)[C@@H]1OCc1ccccc1 1950402591 QIAFTDWVKRJHJG-OFVILXPXSA-N 440.971 6.359 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@H](CNC(=O)OC(C)(C)C)CC(C)C 2033654241 ZHGFBAXFMCWSRK-FPOVZHCZSA-N 445.604 5.816 30 10 IKEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](N(CCCNC(=O)OC(C)(C)C)Cc2ccccc2)C1 2054253581 QVTJJYWTSRFIPM-WXFUMESZSA-N 441.660 6.148 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1C(C)(C)[C@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2055761777 BPYOKDUFLDNVCV-MPCDZSKCSA-N 447.620 5.484 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)CC2(C)C)cc1 2065978094 CHIRRLSZZBHILB-VWLOTQADSA-N 443.588 5.666 30 10 IKEE Fc1ccc(C(F)(F)F)cc1Cn1nc(C2CC2)c(C(F)(F)F)c1Br 2079808129 LBYKAGYGOGQMMH-UHFFFAOYSA-N 431.149 5.748 30 10 IKEE COc1ccc([C@@H](n2nc(C(F)F)c(C=NO)c2Br)C(C)(C)C)cc1F 2080125689 JHJDGGXVFZPPID-CQSZACIVSA-N 434.256 5.175 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(F)c(Br)c(F)c1 2142155625 LGBXXTOJEVMBFZ-DOTOQJQBSA-N 433.337 5.237 30 10 IKEE C[C@@H]1CCC[C@@]2(CSC(=NCc3scc(Br)c3Br)N2)C1 2150563596 QZDMMYYAEKFZLQ-OTYXRUKQSA-N 438.254 5.414 30 10 IKEE C[C@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)Oc1cc(Br)cnc1C#N 2198815914 RDVNNVJHTVIYPE-ZBFHGGJFSA-N 438.366 5.053 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(C)c(Br)cc1C 2201072358 ITWNNXOFYLVLTB-UXHICEINSA-N 439.438 5.966 30 10 IKEE C=CCC[C@H](C)[C@H](NCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237405110 NIRZCQBEHCPKPG-VDGAXYAQSA-N 439.438 5.465 30 10 IKEE COc1ccc(C=CC(=O)C23CC4CC(CC(C4)C2)C3)cc1Cn1nnc2ccccc21 2297549332 YWJOOPKBMUFJHI-UHFFFAOYSA-N 427.548 5.287 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 2302797066 XKJASCHSVODGCJ-GUDVDZBRSA-N 449.979 5.667 30 10 IKEE Cc1ccc(C)c(CN2COc3ccc4c(c3C2)OC(=Cc2ccc(C(C)C)cc2)C4=O)c1 2322170836 JNCLNUDBTYBMLX-UHFFFAOYSA-N 439.555 6.395 30 10 IKEE CCCOc1c(C=Nn2c(S)nnc2CC23CC4CC(CC(C4)C2)C3)cccc1OC 2322183820 XKZKLAWZWWKYGH-UHFFFAOYSA-N 440.613 5.005 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1cn(C)c4ccccc14)C3=O)CN(Cc1ccccc1)CO2 2322312249 AWTUXPQRSUTTOF-UHFFFAOYSA-N 436.511 5.455 30 10 IKEE CCCOC(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccc2c(c1)CCCC2 2322331020 RPTCSYALKQMOJJ-UHFFFAOYSA-N 428.528 5.947 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc3c(c2)OCO3)c1OCc1cccc(C)c1 2322698880 ITGBETDUNVYAIR-UHFFFAOYSA-N 436.891 5.861 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2cccc(OCc3ccccc3)c2)cc1 2323226301 SQAKGTFVTFTKOY-UHFFFAOYSA-N 428.572 7.511 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)c4ccc(C)c(C)c4)ccc3C2=O)c(OC)c1 2323247404 ULMGQRHHMBULQW-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE COc1cc(C(=O)C=Cc2ccc(OC)c(OCc3ccccc3)c2)c(OC)cc1Cl 2323270438 DAFUFJOPSLQZMX-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OC(=O)C=Cc3ccc([N+](=O)[O-])cc3)c2C)C1=O 2323601942 LREOYDJRLFLWTC-UHFFFAOYSA-N 441.439 5.447 30 10 IKEE CCn1cc(C=C2Oc3cc(OC(=O)C=Cc4ccccc4)cc(C)c3C2=O)c2ccccc21 2323744998 VZHCKRFJQBCSJS-UHFFFAOYSA-N 449.506 6.205 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OCc1c(Cl)cccc1Cl 2323802770 LOUFFIWIVYMUJC-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCc3cccc4ccccc34)c(Cl)c2)cc1 2323831442 MWSYJBOUGUHUIL-UHFFFAOYSA-N 442.942 7.367 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc3ccccc23)cc(OC)c1OCC(=O)NCCC 2324141479 ONYPABMVVDLDGS-UHFFFAOYSA-N 443.543 5.378 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 2324197240 XUQLYLSVCISHGS-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)OC(C)C)cc2c1C(=O)C(=Cc1ccccc1Br)O2 2324305203 FISSKOFZZQYWOH-AWEZNQCLSA-N 445.309 5.093 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3C)c(OC)c2)c(OCC)c1 2324499022 PSKFKWNUMSEPOD-UHFFFAOYSA-N 446.543 6.276 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OCc2c(F)cccc2Cl)cc1 2324522435 QMRRSPOHFMORCX-UHFFFAOYSA-N 445.317 6.925 30 10 IKEE Cc1cc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(Cl)cc3Cl)n2)ccc1F 2324564119 YGYICHGXUJQKLP-INIZCTEOSA-N 431.319 6.454 30 10 IKEE CCCNC(=O)COc1ccc(C=CC(=O)c2ccc(OC)c3ccccc23)cc1OCC 2324690277 AFILROAYOVBOCR-UHFFFAOYSA-N 447.531 5.048 30 10 IKEE CCCCCOC(=O)COc1ccc2c(c1C)OC(=Cc1c(F)cccc1Cl)C2=O 2325045228 VSGFRBHUUKFIPZ-UHFFFAOYSA-N 432.875 5.516 30 10 IKEE COc1ccccc1C=C1Oc2cc(O[C@H](C)C(=O)Nc3c(C)cccc3C)ccc2C1=O 2325141774 RDZIIIQRLANBFF-GOSISDBHSA-N 443.499 5.334 30 10 IKEE CSc1ccc(C=CC(=O)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1 2325574783 WCEDRHVQCZBLDI-UHFFFAOYSA-N 437.948 5.862 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OCC(=O)Nc3nc4ccccc4s3)ccc2C1=O 2325589940 KGUALJPAJNFFFR-UHFFFAOYSA-N 448.525 5.300 30 10 IKEE CCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(Cl)c(Cl)c1 2325610325 FRZPXRJYYRLHMB-UHFFFAOYSA-N 425.772 5.975 30 10 IKEE CCN(CC)c1ccc(C=Nn2cnnc2SCc2ccc(Cl)c(Cl)c2)cc1 2325668890 MIVHNUZFJZDPAZ-UHFFFAOYSA-N 434.396 5.606 30 10 IKEE CC(C)COc1ccc(C(=O)Oc2cccc(C=CC(=O)c3cccc(Cl)c3)c2)cc1 2325728460 BYVBUTRZBWRKSJ-UHFFFAOYSA-N 434.919 6.490 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1OC(=O)Cc1ccc(F)cc1F 2325728976 GJZLGIDRLAJDJD-UHFFFAOYSA-N 442.845 5.671 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2c(F)cccc2Cl)c1)c1ccc2c(c1)OCCO2 2325745648 YJQOVVYDGGPLAL-UHFFFAOYSA-N 438.838 5.366 30 10 IKEE O=C(CCCOc1ccc(Cl)cc1)Oc1cccc(C=CC(=O)c2ccc(F)cc2)c1 2325751353 NNCZVYXHRPRAKR-UHFFFAOYSA-N 438.882 6.140 30 10 IKEE CCSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1cc(C)ccc1O 2325912183 AHIIFVMKBDWUSN-UHFFFAOYSA-N 437.352 5.172 30 10 IKEE C=C(C)CSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1ccccn1 2325912495 KLAKJFSXKGBEDZ-UHFFFAOYSA-N 434.352 5.109 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1cn(CC)c2ccccc12 2326252193 JLJAIFPBUDQEBY-UHFFFAOYSA-N 435.572 5.909 30 10 IKEE CCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1ccc(OC(C)C)c(Cl)c1 2326442440 XBTUMMQRYZUUBL-UHFFFAOYSA-N 443.016 6.072 30 10 IKEE Cc1ccccc1CSc1nnc(COCc2ccccc2)n1N=Cc1ccccc1O 2329309988 FCSARUPRVPETIS-UHFFFAOYSA-N 444.560 5.183 30 10 IKEE C=C(C)CSc1nnc(COCc2ccccc2)n1N=Cc1ccc(OCCC)cc1 2329339403 SRQNGHZUKPYIMA-UHFFFAOYSA-N 436.581 5.334 30 10 IKEE Fc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2ccc(Cl)cc2)cc1 2329837424 GQQZWOCRHRMUOV-UHFFFAOYSA-N 436.943 5.836 30 10 IKEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1cccc(Cl)c1 2330647877 DJNYSTPCUIKZQY-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2F)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 2330687376 JQXXDXKYCOCEPJ-UHFFFAOYSA-N 445.446 5.728 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3c(F)cccc3Cl)c(OC)c2)c1 2330800484 STLZNPPIMGIQRT-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE COc1ccc(OC)c(C=Nn2c(CC(C)(C)C)nnc2SCc2cccc(F)c2)c1 2330824314 FNLPKXGRDJTEPP-UHFFFAOYSA-N 442.560 5.198 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1cccc(O)c1 2330874305 PLCBWTAZPXZQNI-UHFFFAOYSA-N 449.407 6.054 30 10 IKEE Fc1cccc(CSc2nnc(C3CCCC3)n2N=Cc2cccc3ccccc23)c1 2331066183 WIVDEQYNTBEWAT-UHFFFAOYSA-N 430.552 6.403 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccco3)n2N=Cc2ccc(C(C)(C)C)cc2)cc1 2331168074 WOVVGXKOTQIPFZ-UHFFFAOYSA-N 430.577 6.319 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccccc2)cc1OCC 2331179159 KLUJUIRYZPTJSS-UHFFFAOYSA-N 446.499 5.365 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3C)c([N+](=O)[O-])c2)cc1 2331201153 TXHAODJEBNQOLS-UHFFFAOYSA-N 431.444 5.417 30 10 IKEE C=CCSc1nnc(-c2ccco2)n1N=Cc1ccc(OCCCC)c(OCC)c1 2331216009 OWVPPQLHBYBHRX-UHFFFAOYSA-N 426.542 5.276 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(OC)cc3)cc2)cc1 2331294238 GPNBXDPUIVHQEA-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)c(F)c3F)cc2)c1 2331381158 QBBBRWJJSAGIKJ-UHFFFAOYSA-N 442.389 5.236 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1)c1ccc(Cl)cc1Cl 2331470236 VQATYYTVRLJFDR-UHFFFAOYSA-N 447.317 7.262 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1ccc(CC)cc1 2331504005 FDCRBVRWHVWGPN-UHFFFAOYSA-N 442.555 6.886 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)ccc1OC(=O)C1CCCC1 2331640481 MYDVYJHYFDJDPJ-UHFFFAOYSA-N 449.330 6.002 30 10 IKEE CC(C)c1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc2c(c1)OCCO2 2331708193 ORRHFZYKXUMSHX-UHFFFAOYSA-N 428.945 5.001 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CC(C)(C)C)c([N+](=O)[O-])c2)c2ccccc12 2331869494 UJWBAUAZDBYENO-UHFFFAOYSA-N 447.487 5.994 30 10 IKEE CC1(C)C[C@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN1Cc1ccccc1 2365105014 VEMFUNLCKJZSRJ-HSZRJFAPSA-N 447.432 5.581 30 10 IKEE COc1ccc(COc2ccc(Br)c(NC(=O)OC(C)(C)C)c2)cc1C#N 2370432847 ZEAOEISFLLMONX-UHFFFAOYSA-N 433.302 5.255 30 10 IKEE CC(=O)Nc1ccc(/N=C/c2ccccc2OC(=O)c2ccccc2Br)cc1 1464878 DAXFWCQJGFPXKL-ZVHZXABRSA-N 437.293 5.377 30 10 IKEE O/C(CCn1c(=S)oc2ccccc21)=N\c1ccc(-c2nc3ccccc3o2)c(O)c1 2923405 LHYAPAGYASJGCP-UHFFFAOYSA-N 431.473 6.156 30 10 IKEE COc1ccc(/N=c2\scc(-c3ccc4c(c3)OCCO4)n2/N=C/C2CCCCC2)cc1 16044580 ZSHRDXULXBJTMD-HPAFKQQASA-N 449.576 5.643 30 10 IKEE COc1ccc([C@@H]2CC(=O)C3=C(C2)NC2=C(C(=O)c4ccccc42)[C@H]3c2ccccc2)cc1 17098444 VXQQDPYJSPRWEC-DFBJGRDBSA-N 433.507 5.390 30 10 IKEE Cc1cccc(C)c1NC(=S)N/N=C1\C[C@H]([C@@H](C)c2cccnc2)Oc2ccc(O)cc21 20683612 KHZHNLYHGABBRR-NVVXQYLJSA-N 446.576 5.050 30 10 IKEE COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1Cl 20883928 DWHJWXAZRDALGG-DWXRJYCRSA-N 430.935 6.328 30 10 IKEE CC(C)COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccnc2)cc1 21259643 DLUQIULSYSVAFW-RBTNQOKQSA-N 439.559 6.096 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2Cl)S/C(=N/c2ccccc2)N1C1CCCCC1 33097108 WHAQREIOMFWERS-HCNWTGQWSA-N 431.388 6.930 30 10 IKEE C=CCN1C(=O)/C(=C\c2cccc(OCc3ccc(Br)cc3)c2)SC1=S 33436335 BWKLKVGQCGZEIL-LDADJPATSA-N 446.391 5.415 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(Br)cc1C(=O)/C=C\c1cccs1 33442197 HCSKTCACTQXBIU-KTKRTIGZSA-N 443.318 5.635 30 10 IKEE COc1ccc(N/N=C(/Sc2ncc(-c3ccccc3)n2-c2ccccc2)C(C)=O)cc1 33770858 FPVRAPQWPNWPJN-ZZIIXHQDSA-N 442.544 5.655 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC(=O)c3ccc(C)cc3)cc2)cc(OC)c1OC 34954245 YHUYLNLSPVXXRA-VGOFMYFVSA-N 432.472 5.136 30 10 IKEE C=CCc1ccccc1OCCCn1c([C@@H](C)Oc2ccc(Cl)cc2)nc2ccccc21 40236794 VHYSOPMGHDORIC-HXUWFJFHSA-N 446.978 7.027 30 10 IKEE Cc1cc(/N=C/c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)cc([N+](=O)[O-])c1C 59302403 BXDOJTWDECIVMM-BHGWPJFGSA-N 425.872 5.721 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(ccc(OC/C=C/c4ccccc4)c3C)C2=O)cc1 62942297 JCCWFWIMNZOCLX-SQACDGACSA-N 439.555 6.550 30 10 IKEE C=C(C)COc1ccc(NCC(=O)Nc2ccc(NC(=O)c3cccc(C)c3)cc2)cc1 66062247 RHEHWIXNUJYSKA-UHFFFAOYSA-N 429.520 5.253 30 10 IKEE C=C(C)COc1ccccc1NC(=O)CNc1ccc(NC(=O)c2cccc(C)c2)cc1 66094645 TXJWXEPNSBZTGT-UHFFFAOYSA-N 429.520 5.253 30 10 IKEE O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1cccc(Cl)c1Cl)c1c(O)n[nH]c1N2 98036628 JLVGSBSCDDEIGY-PSLIRLAXSA-N 432.332 5.442 30 10 IKEE CCOC(=O)c1c(NC(C)=O)sc2c(Cl)c(/C=N\CCc3ccc(O)cc3)ccc12 101538955 ZPQOBGWASMVGFS-MSXFZWOLSA-N 444.940 5.057 30 10 IKEE CCCCCCCCCCn1c([C@H]2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21 102213353 QTXPCIQPHBIGDF-DEOSSOPVSA-N 431.624 6.693 30 10 IKEE CCCCCCCCCn1c([C@H](C)NC(=O)c2ccc(Cl)cc2)nc2ccccc21 102221633 HSCWRWWMJPXYCR-IBGZPJMESA-N 426.004 6.931 30 10 IKEE CC1(C)C(=S)N(c2cccc(C(F)(F)F)c2)/C(=N\C2CCCCC2)[C@@H]1N1CCCC1 105421428 RXUHEUITNJXKRA-KHDLQRJLSA-N 437.575 6.075 30 10 IKEE CN1/C(=C2/S/C(=N/c3ccc(Cl)cc3)N(c3ccccc3)C2=O)Sc2ccccc21 106344432 RKJDOQDQMIXLQJ-CCSRSWJSSA-N 449.988 6.519 30 10 IKEE N#C[C@@H](C(=O)c1cc(Br)c(Br)s1)c1ccc(F)cc1Cl 128473292 AKMZUPOYNUXZMS-MRVPVSSYSA-N 437.515 5.556 30 10 IKEE CCN1C(=S)N[C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C(C(C)=O)=C1C 169933443 FLZWGULQYHYOLE-OAQYLSRUSA-N 449.403 5.687 30 10 IKEE CCN(Cc1ccccc1)c1ccc(/C=N\Nc2nc(-c3ccc(C)cc3C)cs2)cc1 169941179 VRFHRSUQSDXHGV-QRQIAZFYSA-N 440.616 6.899 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3ccc(C)c(C)c3)cs2)cc([N+](=O)[O-])c1OCC 169941295 ACJUPRCPOIQFKS-FMCGGJTJSA-N 440.525 5.579 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1ccc(O)cc1)c1cc2ccccc2o1 169964090 HZAVJXYHIDRTMX-QFIPXVFZSA-N 447.393 5.200 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccncc2)cc1Cl 170021627 ZRCGJWUQPDVSES-QFIPXVFZSA-N 444.874 5.573 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2Cc2ccco2)c1 170038746 GDPLDIDMOLFXPH-QHCPKHFHSA-N 431.488 5.074 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccc(F)cc2)cc1 170061713 PMQORMBVEBIYCD-XMMPIXPASA-N 429.491 5.788 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@@H]1c1ccco1)c1cc2ccccc2o1 170092520 VFHFXSCALBEILB-HXUWFJFHSA-N 437.810 5.601 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1C1CCCCC1 170123768 ZYXZXBZEMHSWNF-VWLOTQADSA-N 441.527 5.759 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2Cc2cccs2)c1 170139247 PYXJNWONYLNZTM-QHCPKHFHSA-N 445.540 5.160 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2Cc2ccco2)c1 170143951 XMEABBXOQSKQCO-DEOSSOPVSA-N 445.515 5.401 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1cccs1)c1ccc(Cl)c(Cl)c1 170159239 BXJFWUGFFVRQKI-SFHVURJKSA-N 430.312 5.838 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1cccnc1)c1ccc2c(c1)CCCC2 170188844 YQZGHXSYDFDOAM-HSZRJFAPSA-N 444.918 5.397 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc(F)cc1)c1ccc2c(c1)CCCC2 170238214 IEASTAMQEAQLNL-XMMPIXPASA-N 445.465 5.627 30 10 IKEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(F)c4)[C@H]3c3ccc(F)cc3)ccc2O1 170238383 ABLNKIIGIHDHHO-FATZIPQQSA-N 447.437 5.071 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2C)c(C)c1 170269774 TXWMGJJOEBRFMH-QFIPXVFZSA-N 433.529 5.152 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(C)c4C)[C@H]3c3ccco3)oc12 170286100 TZFOEBBCXKQMID-QFIPXVFZSA-N 443.455 5.434 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2sccc2C)cc1C 170314740 OKTLUYHKJXWLCB-NRFANRHFSA-N 449.528 5.170 30 10 IKEE COc1cc(OC)cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2sccc2C)c1 170405205 PNJSNWNIJPSXHL-OAQYLSRUSA-N 449.528 5.165 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2Cc2ccc(OCC(C)C)cc2)c1 170461410 FXXNGLZLFSQDNX-RUZDIDTESA-N 435.564 5.541 30 10 IKEE CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cc(Cl)ccc1Cl 252604182 FXVWHACBOFDDJZ-MRXNPFEDSA-N 440.327 5.113 30 10 IKEE C(=NN=C1SC(=Nc2ccccc2)C(=Nc2ccccc2)N1c1ccccc1)c1ccco1 252618096 LDRPNWYYHFXLJS-UHFFFAOYSA-N 449.539 6.683 30 10 IKEE Sc1nnc(-c2ccccn2)n1N=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1 254342188 TYDXGFMKADGECB-UHFFFAOYSA-N 448.555 5.981 30 10 IKEE CCC(=Nc1ccc(OC)cc1)c1c(C(F)(F)F)[nH]n(-c2nc3ccccc3s2)c1=O 254489907 LVIVRHLTRAQGTI-UHFFFAOYSA-N 446.454 5.334 30 10 IKEE O=C1CSC(=S)N1N=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 254513988 KIDFKCBCEKOBFS-UHFFFAOYSA-N 448.569 5.039 30 10 IKEE O=[N+]([O-])c1ccccc1-c1ccc(C=Nc2ccc(O)c(-c3nc4ccccc4o3)c2)o1 254740860 KFJHZEUFFRSNDE-UHFFFAOYSA-N 425.400 6.119 30 10 IKEE N#Cc1cccc(NC2=C(Sc3ccccc3)C(=O)N(c3ccc(Cl)cc3)C2=O)c1 526658205 XGSYIIWAKSRMKB-UHFFFAOYSA-N 431.904 5.201 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccc3ccccc23)cc1 526772080 BOKLOKRPTBWECV-SANMLTNESA-N 449.506 6.021 30 10 IKEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1cn(C)c2ccccc12 526813931 GVDFJMVTHAJSHX-RMORIDSASA-N 430.364 5.560 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(CCc2ccccc2)n1/N=C\c1ccco1 526817909 GPYJNAMWESBPEV-QFEZKATASA-N 440.931 5.623 30 10 IKEE Cc1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)c(F)c1 586245328 RIJRISNEKRNMBI-UHFFFAOYSA-N 449.334 5.708 30 10 IKEE C/C=C/C=C\C(=O)Nc1ccc(Cc2ccc(NC(=O)/C=C/C=C/C)c(C#N)c2)cc1C#N 1084258795 NEBKHYYLYUQIJR-SPECWTKASA-N 436.515 5.162 30 10 IKEE C[C@H](CCc1ccccc1)/N=C(/Nc1cc(-c2ccccc2)ccc1O)N1CCN(C)CC1 1088684301 NKFPQYMJCUSFEQ-JOCHJYFZSA-N 442.607 5.096 30 10 IKEE C[C@H](NC(=O)N[C@@H](C)c1ccc2nc(O)oc2c1)c1ccc(-c2cccc(C#N)c2)cc1 1312478593 HRPYOPQQIRKFPX-HOTGVXAUSA-N 426.476 5.193 30 10 IKEE Cc1ccc(C(=O)ON=C2C[C@@]3(C(=O)Nc4ccc([N+](=O)[O-])cc4)CC[C@@]2(C)C3(C)C)cc1 1772722725 QUYBUTJQAAJXEB-JWQCQUIFSA-N 449.507 5.271 30 10 IKEE C=CCN1C(=O)/C(=C\c2c[nH]nc2-c2ccccc2)SC1=Nc1cccc2ccccc12 1772724475 VYMUYBLJFBERLX-HNXGTMCTSA-N 436.540 6.020 30 10 IKEE Cc1ccc(-c2nn(-c3cccc(Cl)c3)cc2/C=N\NC(=S)Nc2ccccc2)cc1 1857810730 CIPVRQALYUITFX-YSMPRRRNSA-N 445.979 5.822 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)c(Cl)c1 1861051550 IHQRXXWJEGFCOU-QFIPXVFZSA-N 449.422 5.811 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2cccc(Cl)c2)n(Cc2c(F)cccc2Cl)n1 1862339640 CHGMBYHPCWJTQA-UHFFFAOYSA-N 444.337 5.859 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCC(C)C)cc1 1862403601 ADVHKCQNEUOUJN-QHCPKHFHSA-N 437.536 5.027 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(N(C)C)cc1 1862415260 STPUWAGGYVOSIB-JOCHJYFZSA-N 442.506 5.189 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(C(C)C)cc1 1862415292 UFMUMCBPFBZGJJ-JOCHJYFZSA-N 427.491 5.857 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)cc1 1862431764 OHALKFSIJKYRST-POCHDABASA-N 437.967 6.059 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1c(F)cccc1Cl 1862435162 PLHYCZRGAWJAQC-IBGZPJMESA-N 436.310 5.901 30 10 IKEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccccc2)cc1 1862441894 NOYSWOROIQFNGJ-WAIKUNEKSA-N 447.918 5.688 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1F 1862446173 MJZOVJWPCDIQBU-HXUWFJFHSA-N 433.882 5.777 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862508252 FURKHRIGKDKCLD-FQEVSTJZSA-N 449.444 5.921 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccccc1C 1862523128 ABNHQMMWJQUJCS-FQEVSTJZSA-N 442.353 5.526 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(O)c2)=C(O)C(=O)N1CCc1ccc(Cl)cc1 1862589460 LGQNSQNRJDWTCH-HSZRJFAPSA-N 447.918 5.175 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(O)cc2)cc1 1862613484 IWJBPVMELPOXGO-DEOSSOPVSA-N 441.527 5.468 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccc(F)c2)cc1 1862617044 UDUWXHSRWOSEBL-HSZRJFAPSA-N 444.506 5.297 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862625371 DTCMQDRJKMQULU-XDHUDOTRSA-N 441.483 5.063 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc2c(c1)CCCN2C 1862667944 NBFBFFMUUVKSOG-RUZDIDTESA-N 446.591 5.571 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(Cl)cc1Cl 1862690249 KSRHEGHYMBXEOB-HXUWFJFHSA-N 448.346 5.771 30 10 IKEE N#Cc1ccccc1NC1=C(c2ccccc2Cl)C(=O)N(c2ccc(Cl)cc2)C1=O 1863070969 OYLNQJRWDUYYLK-UHFFFAOYSA-N 434.282 5.262 30 10 IKEE N#Cc1cccc(NC2=C(c3cccc4ccccc34)C(=O)N(C3CCCCCC3)C2=O)c1 1863225439 ICXMJSRXIXMEMF-UHFFFAOYSA-N 435.527 5.626 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2OCCC)=C(c2ccc(C)cc2)C1=O 1863266616 HSPSVAILNANFHJ-UHFFFAOYSA-N 448.607 6.336 30 10 IKEE N#Cc1cc(Br)c(NC(=O)c2c(F)cccc2Cl)c(Br)c1 1866110718 ZSMSDTNKUGKDDQ-UHFFFAOYSA-N 432.474 5.128 30 10 IKEE CCCC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](C#N)c1ccc(C)cc1 1867351849 ACOGNYVCCVVIKA-UIOOFZCWSA-N 439.559 5.332 30 10 IKEE CCCCCCOc1ccc(C(=O)N[C@@H](CCC)C(=O)N[C@H](C#N)c2ccc(C)cc2)cc1 1867567516 VHUZVNCUALZQRQ-LOSJGSFVSA-N 449.595 5.234 30 10 IKEE C=CCOc1ccccc1OCC(=O)N1CCc2ccccc2[C@@H]1c1cccc(Cl)c1 1868119746 XDASTMRQDCSRHT-SANMLTNESA-N 433.935 5.458 30 10 IKEE C=CCN(CC=C)c1cc(N2CCN([C@H](C)c3cccs3)CC2)nc(-c2ccccc2)n1 1869209839 XIJWXTUVKDEELK-OAQYLSRUSA-N 445.636 5.267 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N(CCC)CCCC)nn1-c1ccc(Cl)cc1 1870011598 RCNNWJCOBKJVBH-UHFFFAOYSA-N 448.055 6.626 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(O)cc2)c(CN2CCC[C@H](C)C2)cc1=O 1870416699 LCMQZKDSDDJZGS-NRFANRHFSA-N 426.601 5.183 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2)c(=O)cc1CN1C[C@H](C)O[C@H](C)C1 1870468050 MOSNCXVMBHSZOF-ZRZAMGCNSA-N 440.628 5.397 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2c(C)cccc2C)cn1Cc1ccccc1 1870489966 SBDRVMPBGLZGJH-UHFFFAOYSA-N 428.576 5.266 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccccc2C)cn1Cc1ccc(C)cc1 1870628699 FYHBBQOCPLYPBG-UHFFFAOYSA-N 428.576 5.266 30 10 IKEE C=CCOc1cn(CCC2=CCCCC2)c(CNc2ccc(OC)c(Cl)c2)cc1=O 1870813335 HIRUXENDYHCBDN-UHFFFAOYSA-N 428.960 5.578 30 10 IKEE C=CCn1cc(OCCOc2ccc(Cl)cc2)c(=O)cc1CNc1ccc(C)c(F)c1 1870883036 YMOSMKMLLQWXSZ-UHFFFAOYSA-N 442.918 5.205 30 10 IKEE CCCCCCCCCCN=c1nc2c(cnn2C)c(Nc2ccc(C(F)(F)F)cc2)[nH]1 1871299052 PQMCDCOJQHUFKV-UHFFFAOYSA-N 448.537 6.100 30 10 IKEE CCCCOCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1cccc(F)c1)C3=O 1871350373 CLRURINRZSWMRU-HMAPJEAMSA-N 425.500 5.109 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)CCc4ccc(Cl)cc4)ccc3C2=O)cc1 1871368828 QFAOHVHHIPDRDB-IWIPYMOSSA-N 432.903 6.057 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3C)cc(C)c2C1=O 1871372541 XGHDKISYMCAGDF-UUYOSTAYSA-N 445.427 5.056 30 10 IKEE O=C(/C=C/c1ccc(Cl)cc1Cl)Oc1ccc2c(c1)O/C(=C\c1cccnc1)C2=O 1871378623 WGFGYKQJWGIBGU-IHANUAMPSA-N 438.266 5.623 30 10 IKEE Cc1c(OCCCOc2ccccc2)ccc2c1O/C(=C\c1ccc3c(c1)OCO3)C2=O 1871397286 JVGXHEHTKNNGDG-IWIPYMOSSA-N 430.456 5.188 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OCCCc4ccccc4)c3C)C2=O)cc1OC 1871399337 JMNOPLWLHHSLMG-UQQQWYQISA-N 430.500 5.640 30 10 IKEE Cc1cc(OCCOc2ccc(C(C)(C)C)cc2)cc2c1C(=O)/C(=C/c1ccccc1)O2 1871415240 WUQSZYDCFAHRTB-UQQQWYQISA-N 428.528 6.367 30 10 IKEE CCOC(COc1cc(C)c2c(c1)O/C(=C\c1cn(CC)c3ccccc13)C2=O)OCC 1871415989 FQVGQUTVDZUPGU-QRVIBDJDSA-N 435.520 5.364 30 10 IKEE Cc1cc(C)c(COc2cc(C)c3c(c2)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)cc1C 1871423463 SUNRRZDFYAAPBA-DICXZTSXSA-N 440.583 7.413 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O)Nc1nc2ccccc2s1 1871442226 GZEQHZXHFBBQNP-JAIQZWGSSA-N 446.459 5.069 30 10 IKEE Cc1cccc(COc2ccc3c(c2)O/C(=C\c2cc(Cl)cc4c2OCOC4)C3=O)c1 1871455529 RUTAEFIPVYQFPB-RMORIDSASA-N 434.875 5.710 30 10 IKEE CCCCCCCCN=c1nc(N(C)CCCC)[nH]c(=Nc2ccc(C)c(Cl)c2)[nH]1 1871490002 CELVRXGBGQWERM-UHFFFAOYSA-N 433.044 5.430 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cccc(C)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872267283 FNGNHVYNVGOEBS-YADARESESA-N 442.625 5.232 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)C(C)C)S(=O)(=O)C1CC1 1872323988 ACAPUCAPUMNKBG-HSZRJFAPSA-N 434.646 5.267 30 10 IKEE COc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc1 1872779365 IGQZJDVZXXSRKR-KRWDZBQOSA-N 428.460 5.132 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@@H](C#N)C(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)n1 1872781870 ZCVQFMAVGYHXQI-GCJKJVERSA-N 448.588 6.203 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(F)cc3)n2)c(OCC)c1 1872784803 XXPZCGKBYDZKSV-BESKYLIDSA-N 436.508 5.636 30 10 IKEE C=CCc1ccccc1OCc1cccc(C(=O)NC(c2ccccc2)c2ccccc2)c1 1872833851 DKEUOWKNXMUWGL-UHFFFAOYSA-N 433.551 6.514 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCc2cccs2)=C(c2cccnc2)C1=O 1873078222 AZRGBGMUOYDXNL-UHFFFAOYSA-N 439.625 5.196 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)cc2C)cc2c(NCCCCCC)ncnc21 1873638710 HEUVSNKOQJNVEJ-UHFFFAOYSA-N 425.964 5.824 30 10 IKEE C[C@@H](Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)C(=O)Nc1ccc(C#N)cc1 1873864556 OWGVHMCYJUTXHX-OAHLLOKOSA-N 444.874 5.391 30 10 IKEE CCCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1cccc(OCC)c1 1874232797 RTMREGWCMDHENW-ZXVVBBHZSA-N 444.604 6.000 30 10 IKEE CCCOc1ccccc1/C=N/n1c(CCc2cccc3ccccc23)nnc1SC 1874233533 NUUPTWXWHYAHHF-NLRVBDNBSA-N 430.577 5.609 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CCCOc2cccc(C)c2)nnc1SCC 1874246341 ZKRWZGXLDYRSOZ-XIEYBQDHSA-N 436.581 5.157 30 10 IKEE Fc1ccccc1CSc1nnc(CCOc2ccccc2)n1/N=C/c1ccccc1 1874346560 VHEXJNFPVXLLJE-YZSQISJMSA-N 432.524 5.213 30 10 IKEE CCCCOc1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SCCC)cc1 1874376814 PQEIINLYGACNIJ-KOEQRZSOSA-N 426.561 5.571 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2cccc(Cl)c2)n1/N=C/c1cccnc1 1874400868 BCPTZGMPBXBJJC-AEIQVQRHSA-N 433.968 5.653 30 10 IKEE C(=N/n1c(Cc2cccs2)nnc1SCc1cccc2ccccc12)\c1ccco1 1874413731 IEPYMVUFCPKBSL-BUVRLJJBSA-N 430.558 5.851 30 10 IKEE COc1cc(/C=N/n2c(SCc3ccc(F)cc3)nnc2-c2cccs2)ccc1O 1874420921 LIDHVNQJWJNHPT-FSJBWODESA-N 440.525 5.034 30 10 IKEE COc1cc(/C=N/n2c(SCc3cccc(C)c3)nnc2-c2cccs2)ccc1O 1874422124 VSQCMHOJJONJHM-YDZHTSKRSA-N 436.562 5.204 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2-c2ccccc2)cc1O 1874430767 WWHJFVCBBXRVPX-ZMOGYAJESA-N 436.924 5.184 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(CC(C)(C)C)n2/N=C/c2ccccc2C)c1 1874436558 HFBXOVUKIIOFOK-CVKSISIWSA-N 449.624 5.405 30 10 IKEE CCCSc1nnc(C2CCCC2)n1/N=C/c1ccc(OCc2ccccc2C)cc1 1874456170 DVDFQWHBDRNLBY-YZSQISJMSA-N 434.609 6.207 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(SCCc2ccccc2)nnc1-c1ccco1 1874466904 ICOBYFCVHHEAGI-KOEQRZSOSA-N 432.549 5.542 30 10 IKEE CCCCc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1ccc(C(C)C)cc1 1874480007 DHASZSXPDGVTFT-WPWMEQJKSA-N 449.624 5.035 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Br)ccc2OCCc2ccccc2)cc1 1874572697 AKQNIDZSNVXBQY-WYMLVPIESA-N 435.361 6.529 30 10 IKEE Cc1ccc(C)c(COc2ccc3ccccc3c2/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c1 1874575425 MYVWYIYTRLBKCW-CCEZHUSRSA-N 437.495 6.840 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Cl)ccc1OCC(=O)Nc1cc(C)cc(C)c1 1874577037 SSDIYBWVMUUGEC-CSKARUKUSA-N 449.934 5.879 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)c(C)c1 1874590096 SOLJVRKOXMAZIG-UXBLZVDNSA-N 425.355 7.394 30 10 IKEE C=C(C)COc1c(Br)cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1OCC 1874602245 BNBPKROVSUHRSH-CMDGGOBGSA-N 446.297 5.607 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(OCC)c(OCc3ccccc3)c([N+](=O)[O-])c2)cc1 1874615287 PMIMUWSRKBCFCC-XNTDXEJSSA-N 447.487 5.867 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OCc1ccc(Cl)cc1Cl 1874617774 SRLYGAUZQTURRS-BJMVGYQFSA-N 441.354 7.094 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(F)c3)c([N+](=O)[O-])c2)c(C)c1C 1874626658 PTPDDXGISDDGPQ-JXMROGBWSA-N 435.451 5.834 30 10 IKEE C=CCOc1c(Cl)cc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)cc1OC 1874628420 CIQNTBAEEZJCLD-AATRIKPKSA-N 427.711 6.125 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OC(=O)CCc2ccc(Cl)cc2)c1 1874704407 NIQHLCHRKDSXAY-UKTHLTGXSA-N 434.919 6.091 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1OC(=O)c1ccc(Cl)cc1 1874707277 YAWXWOIIPYNTPJ-OQLLNIDSSA-N 442.898 6.617 30 10 IKEE COc1ccccc1OCC(=O)Oc1cccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)c1 1874710670 HGZBIUVJIDTPIU-BUHFOSPRSA-N 444.527 5.809 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)COc3c(C)ccc(C)c3C)c2)c(C)c1 1874716333 NDTBFGWNPPZXOV-OUKQBFOZSA-N 442.555 6.418 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc1OC(=O)c1sccc1C 1874717996 IRDYRRHBVGRURT-QPJJXVBHSA-N 442.920 5.842 30 10 IKEE C=CCN(CC=C)CCC(=O)c1cccc(OC(=O)c2c(Cl)ccc(Cl)c2OC)c1 1874732766 MEPCOIAVMNAPIU-UHFFFAOYSA-N 448.346 5.468 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 1875084812 AROYKOSMQGMNMZ-FOWTUZBSSA-N 429.472 5.592 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1Cl 1875096446 ONEWNJABDHYEIC-GXDHUFHOSA-N 442.898 6.617 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3OC)c(OC)c2)cc1 1875101079 IKJKNYQMEMFUNU-LFIBNONCSA-N 444.527 5.701 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc4c(c3)OCO4)c(Cl)c2)c1 1875103045 VGWSESYOPGXDQG-VMPITWQZSA-N 436.847 5.193 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)c(F)c3F)c(Cl)c2)c1 1875103051 VMCUBVUQIDHPQK-WEVVVXLNSA-N 446.808 5.881 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cnc(C)cn3)c(OCC)c2)cc1 1875106254 JVDCMBVISKCLQW-GXDHUFHOSA-N 444.531 5.642 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1C 1875107378 NERHLNMSMDBZNR-VCHYOVAHSA-N 448.518 6.786 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(/C=C/C(=O)c3cccc(Cl)c3)cc2[N+](=O)[O-])c1 1875121491 RXJOCGQELHPLRQ-CSKARUKUSA-N 449.890 5.909 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1)c1ccccc1 1875128088 MIELFAQMQCVPIW-UXBLZVDNSA-N 442.254 6.017 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)c1ccc2cc(Cl)ccc2n1 1875129160 NAUDGTKFHPIVFI-NTUHNPAUSA-N 443.886 6.012 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)cc2)c1 1875138442 WLSNPTZWTSBYHC-BDPQSKBNSA-N 430.931 6.562 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC(=O)CC(C)(C)C 1875150496 PYFUBGBEUCBPBV-LFIBNONCSA-N 448.603 6.959 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1cc(C)cc(C)c1 1875156571 BKTWUYRDJGEQDH-WUXMJOGZSA-N 428.528 6.551 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)c1ccccn1 1875190686 LXHLVIDKGGBMQR-UXBLZVDNSA-N 442.298 5.902 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccncc3)c(Cl)c2)c2ccccc12 1875190974 WHXQPYVUIDIHEC-RMKNXTFCSA-N 443.886 6.012 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](Cc2ccc(Br)cc2Cl)NCC)C1 1892691210 ITCMGWLFUFQTQH-QGZVFWFLSA-N 443.813 5.237 30 10 IKEE C=C(COCc1ccccc1)[C@H](CCC1(NC(=O)OC(C)(C)C)CCCCC1)NCC 1922053730 FBXUMBUANYSFDC-QHCPKHFHSA-N 430.633 5.745 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)C12CC2 1925710877 VNFJODWKORWLCT-QHCPKHFHSA-N 447.963 5.517 30 10 IKEE CCCCCCC[C@@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 1947485703 UCAIPTVMTWXQPZ-BJKOFHAPSA-N 434.665 6.215 30 10 IKEE C=CCC[C@H](C)[C@@H](NCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997469556 PSOUGXYXUCHTHY-POGFHVCPSA-N 430.633 5.411 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)[C@H]1C(C)(C)C 2020139339 LMVBPBPBWYCRSW-HXOBKFHXSA-N 449.617 5.413 30 10 IKEE Cc1sc(C)c([C@H](C#N)N(C[C@H]2CCCO2)C(=O)OC(C)(C)C)c1Br 2032033464 XCYMXSZZBYGVAE-KGLIPLIRSA-N 429.380 5.108 30 10 IKEE C=C([C@@H](NCCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)C(C)(C)C 2041909044 GHNVJKKUUXLDBU-KCWPFWIISA-N 444.660 5.801 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@]2(CC[C@]2(C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)C1 2066138316 JMWLWRYAEGUPIK-LOSJGSFVSA-N 447.620 5.630 30 10 IKEE Cc1ccc([C@H](n2nc(C(F)(F)F)c(C#N)c2Br)C(C)(C)C)c(F)c1F 2079951785 YCXUBKNDYLNLQD-AWEZNQCLSA-N 436.222 5.758 30 10 IKEE Cc1cc(C)c([C@H](C2CCC2)n2nc(C3CCC3)c(C=NO)c2Br)c(C)c1 2080031195 YPHYZIYXVLFAQG-NRFANRHFSA-N 430.390 6.036 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)C12CCCC2 2083815070 ABERGMUUBZBQSK-VWLOTQADSA-N 447.620 5.772 30 10 IKEE CCC[C@@]1(Nc2cc(Br)cc(F)c2C#N)CCN(C(=O)OC(C)(C)C)C1 2107449654 JZHRJMHMLJWRAI-LJQANCHMSA-N 426.330 5.051 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)C1(C(F)(F)F)CCC1 2122757681 MUFWAUYCHLMLQH-AWEZNQCLSA-N 433.268 5.815 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCCC12CCNCC2 2144619677 FNIFYURTZZQQIX-NRFANRHFSA-N 434.378 5.007 30 10 IKEE CCCCCCCCCC[C@H](NC)c1csc(Br)c1Br 2150343234 LOBSQKSCHFJRQO-AWEZNQCLSA-N 425.274 7.064 30 10 IKEE COc1cc(CNC(=O)OC(C)(C)C)ccc1Nc1ccc(C#N)c(Br)c1 2162336062 ZXMPSQSRRAPUHZ-UHFFFAOYSA-N 432.318 5.098 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(F)c(Br)c(F)c1 2207140185 BMQIKDBSLSHCMI-FUHWJXTLSA-N 445.348 5.075 30 10 IKEE C=CCN(C[C@H](NCCC)c1ccc(Br)cc1Cl)C(=O)OC(C)(C)C 2222750999 HEASVQOSEZSNST-KRWDZBQOSA-N 431.802 5.566 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@]1(C=O)Cc1c(Br)sc2ccccc12 2224706702 PRZRWEYCECTUGU-HXUWFJFHSA-N 438.387 5.565 30 10 IKEE C=C1C[C@@H]1C[C@@H](NCCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237411218 XAMHJFFNSAXSCM-RLLQIKCJSA-N 437.422 5.219 30 10 IKEE C=C1CCC(CC(=O)[C@H](Cc2ccccc2Br)NC(=O)OC(C)(C)C)CC1 2237418127 GJAQCJGUQOLYBQ-IBGZPJMESA-N 436.390 5.591 30 10 IKEE C=C(C)CCCC[C@@H](NCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2271749739 HBKMCUSFINNFOC-LJQANCHMSA-N 425.411 6.583 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CN[C@@H]2CCCC[C@@H]2C1 2279720733 XHYFNVQHZODHNT-QLVMHMETSA-N 434.378 5.005 30 10 IKEE CC(C)(C)CC1CC([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)C1 2289965417 CPRUSSGUJJDWMP-RJYAGPCLSA-N 435.406 6.545 30 10 IKEE C=CCCC[C@](C)(OCCC(=O)O)c1cc(Br)c(Br)s1 2292049641 JXWAYMWXRDOXDJ-AWEZNQCLSA-N 426.170 5.336 30 10 IKEE CN[C@H](C#Cc1cccc(Br)c1)c1cccc(NC(=O)OC(C)(C)C)c1F 2296215943 FVSVNVYINMWSDC-QGZVFWFLSA-N 433.321 5.247 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H](C(C)(C)C(=O)C#Cc2cccc(Br)c2)C1 2296218935 JMTCKULMPHIOPK-QGZVFWFLSA-N 434.374 5.043 30 10 IKEE C=C1C(=CC=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@@H](C)C=C[C@H](C)C(C)(C)O)C[C@@H](O)C[C@@H]1O 2296604842 ZGLHBRQAEXKACO-KLKTTXFPSA-N 428.657 5.727 30 10 IKEE CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)C(=Cc4cnn(C)c4C)C[C@H]32)C1 2297556292 JMQZWPIAQPSGBR-RIJSWXIHSA-N 436.596 5.185 30 10 IKEE Cc1cc(C=C2SC(=Nc3ccc(F)cc3)NC2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 2313557473 DLCJMWUDOAUPLW-UHFFFAOYSA-N 436.468 5.033 30 10 IKEE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2Oc3cc(C)c(C)cc3C2=O)cc1 2314519467 PWBPFYPWOPBAJD-UHFFFAOYSA-N 448.522 6.337 30 10 IKEE COc1cc(C=C2SC(=Nc3nc(C)cs3)N(C3CCCCC3)C2=O)ccc1O 2314544235 WTGDPSODMPBWOT-UHFFFAOYSA-N 429.567 5.102 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(Br)cc1)O3)CN(C1CCCC1)CO2 2322016161 NQQSXKATRLQZKE-UHFFFAOYSA-N 440.337 5.468 30 10 IKEE Sc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccccc1OCc1ccccc1 2322115101 NDFIHXAQULXTKM-UHFFFAOYSA-N 448.979 5.467 30 10 IKEE COc1ccc(C=C2Oc3c(ccc4c3CN([C@H]3CCCC[C@@H]3C)CO4)C2=O)c(OC)c1 2322145951 DYMFQPCQRZFFMV-KKSFZXQISA-N 435.520 5.051 30 10 IKEE CCc1ccccc1NC(=O)COc1ccccc1C=CC(=O)c1cccc([N+](=O)[O-])c1 2322307666 FZGCIBITHZMSIK-UHFFFAOYSA-N 430.460 5.071 30 10 IKEE CCn1cc(C=C2Oc3c(cc4c(c3C)OCN(Cc3ccco3)C4)C2=O)c2ccccc21 2322307940 ZFEQKCILJOBIBN-UHFFFAOYSA-N 440.499 5.531 30 10 IKEE Cc1c(OC(=O)c2ccc(Cl)cc2)ccc2c1OC(=Cc1cccc(Cl)c1)C2=O 2322703679 GPPXBTSIFCKWFK-UHFFFAOYSA-N 425.267 6.137 30 10 IKEE CCOC(=O)c1ccc(COc2ccccc2C=CC(=O)c2cccc3ccccc23)o1 2322714796 PNYHXARUFHTNHI-UHFFFAOYSA-N 426.468 6.085 30 10 IKEE Cc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cc(Cl)cc4c2OCOC4)C3=O)c1 2322877882 KMGPRSHHTVAIDE-UHFFFAOYSA-N 448.858 5.350 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2C)cc1C 2322899752 CHUVWVCONSJFNM-UHFFFAOYSA-N 447.962 6.487 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)NCc2ccccc2)c(C)c1 2322948885 LXRHGWZSIPQPTN-UHFFFAOYSA-N 447.962 5.857 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)c1OCCCO 2322969410 CGZHETNRMMLNHU-UHFFFAOYSA-N 445.726 5.321 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2Cl)cc1OCc1ccc(Cl)cc1Cl 2323087058 CFPFKVTUCJFPEO-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE C[C@H](NC(=O)COc1cccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)c1)c1ccccc1 2323193850 IJHUGCBTBCYYRT-NRFANRHFSA-N 441.571 6.136 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)c(Br)c1OC 2323258858 WUTLNNQOAAFZBO-UHFFFAOYSA-N 446.124 5.678 30 10 IKEE COc1cc(C=NNc2nc(O)cc(-c3ccccc3)n2)ccc1OCc1ccccc1F 2323259928 AMESRJCANGJAGY-UHFFFAOYSA-N 444.466 5.022 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(OC)c1OCCc1ccccc1 2323396043 NVMBYLDTGWXEIT-UHFFFAOYSA-N 438.523 6.375 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OC(=O)CCc4ccccc4)ccc3C2=O)cc1 2323721331 JZNSHJSLVGGOKA-UHFFFAOYSA-N 441.527 5.687 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC)c(Br)c2)cc1OCCC 2323745065 AABAYBMTDSNHLC-UHFFFAOYSA-N 433.342 5.931 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCc3c(Cl)cccc3Cl)c(Cl)c2)cc1 2323900405 IBBXYCKMURMUFY-UHFFFAOYSA-N 431.746 7.430 30 10 IKEE Cc1ccc(COc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2[N+](=O)[O-])cc1 2324066795 DSLYSEUUXYYFAK-UHFFFAOYSA-N 429.516 6.676 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)C(=Cc3ccccc3)c3ccccc3)n2)cc1 2324430176 RXBWEDGETWPPOG-XMMPIXPASA-N 436.536 6.236 30 10 IKEE Cc1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccccc2)C3=O)c1C 2324499266 XGDHPFUPFCJATN-IBGZPJMESA-N 427.500 5.634 30 10 IKEE C=C(C)COc1c(Cl)cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc1OCC 2324518001 AHERXIJJVJPEHR-UHFFFAOYSA-N 435.347 6.560 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(C(C)C)cc3)n2)cc1 2324545724 XRNZFDWTYUCYQQ-QHCPKHFHSA-N 430.573 6.612 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3cccc(Cl)c3)n2)c2ccccc12 2324840861 MFVJEUFHSYKNRA-NRFANRHFSA-N 444.943 6.515 30 10 IKEE CCCOc1ccc(C=CC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OC 2325648819 FKPLYMOFFFKTJN-UHFFFAOYSA-N 441.833 5.377 30 10 IKEE O=C(C=Cc1cccc(OC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)c1)c1cccc([N+](=O)[O-])c1 2325690408 BDNZRYHIWMHPGW-YADHBBJMSA-N 447.874 5.853 30 10 IKEE CCCCC1CCC(C(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c(C)c3)c2)CC1 2325714783 KXKQFXGSEBVKCW-UHFFFAOYSA-N 434.576 6.802 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccncc3)c2)cc1OCCC 2325726952 ZPHUUWOWHAEFLR-UHFFFAOYSA-N 445.515 5.775 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2cccc(C=CC(=O)c3cccc(Cl)c3)c2)c1 2325728136 FKLBLLGDGWPTOA-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3sccc3C)c2)cc1 2325738817 JOYHQJGLWUVMKW-UHFFFAOYSA-N 436.529 5.969 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cccc(OC(=O)c2c(F)cccc2Cl)c1 2325757739 FDBQWOCOBQRBMH-UHFFFAOYSA-N 438.882 6.220 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccccc1C(F)(F)F 2326384959 QUTABTNAASDUSI-UHFFFAOYSA-N 432.515 6.122 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1c(Cl)cccc1Cl 2326701720 KFIWJDPUNXWUDH-UHFFFAOYSA-N 446.190 6.375 30 10 IKEE Cc1ccc(COc2ccccc2C=Nn2cnnc2SCc2cccc(F)c2)cc1 2326724396 MTFOFARBVJPLHT-UHFFFAOYSA-N 432.524 5.479 30 10 IKEE CCCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccccc1[N+](=O)[O-] 2327296639 YTCWZGMLNKNRDC-UHFFFAOYSA-N 439.541 5.075 30 10 IKEE C=CCSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1cccc(Cl)c1 2327383605 XACBCKNZJBGFBE-UHFFFAOYSA-N 426.973 5.623 30 10 IKEE Fc1ccccc1CSc1nnc(CCOc2ccccc2)n1N=Cc1cccs1 2329193274 RKRNKVJSVXXLML-UHFFFAOYSA-N 438.553 5.275 30 10 IKEE Clc1ccc(CSc2nnc(CCc3cccs3)n2N=Cc2cccnc2)cc1 2329685303 ZVWULNHAPUZQGU-UHFFFAOYSA-N 439.997 5.348 30 10 IKEE Cc1cccc(CSc2nnc(Cc3cccs3)n2N=Cc2ccc(C(=O)O)cc2)c1 2330345123 OTVDAVNSLRYKTA-UHFFFAOYSA-N 448.573 5.112 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccc(C)cc3C)c(OC)c2)cc1 2330769953 HJZMEEHEIWXEME-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cncc(C)c3)c(Cl)c2)cc1 2330832928 PBPKKWNLGSWLLM-UHFFFAOYSA-N 433.935 6.501 30 10 IKEE C=C(C)CSc1nnc([C@@H]2CCCO2)n1N=Cc1ccc(OCc2ccccc2C)cc1 2330952052 UZDAJTXMRJCSDV-QHCPKHFHSA-N 448.592 5.567 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CCCC2)c1 2331092710 BMZBCXPMMYFTRU-UHFFFAOYSA-N 426.973 5.772 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1)c1ccccc1 2331170369 CMVIMUSHWNAMKM-UHFFFAOYSA-N 441.361 5.729 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccco2)n1N=Cc1ccc(Cl)cc1Cl 2331175056 KOJJMEUEOAJKAT-UHFFFAOYSA-N 443.359 6.328 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)Cc1ccc(OC)c(OC)c1 2331177851 FPRPDCICUCCECY-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE CCCOc1c(C=Nn2c(SCc3ccccc3)nnc2-c2ccco2)cccc1OC 2331204875 CDQJRJZYMKLBTI-UHFFFAOYSA-N 448.548 5.510 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)c(C)c3)c(OCC)c2)cc1 2331208267 FVQZKXCPRDJLOU-UHFFFAOYSA-N 444.527 6.216 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)CCOc3ccccc3)c([N+](=O)[O-])c2)cc1 2331273535 NLXYIAQJWKODKA-UHFFFAOYSA-N 431.444 5.174 30 10 IKEE CCCCc1nnc(SCC)n1N=Cc1cccc(OC)c1OCc1cccc(C)c1 2331331772 QGOZYJJKJHTGMU-UHFFFAOYSA-N 438.597 5.511 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccccc1OC(C)C 2331345768 WZFSJSBMSJHWFF-UHFFFAOYSA-N 443.016 6.236 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3ccccc3Cl)nnc2C(C)(C)C)c1 2331398060 ZVZVEDHTCOAQCI-UHFFFAOYSA-N 443.016 6.192 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2OC)cc1 2331540185 WVPWDZCIPVMYHA-UHFFFAOYSA-N 448.490 5.667 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)C=Cc2ccc(C(C)(C)C)cc2)n(-c2ccccc2)n1 2331665242 JRGFOHUZDUYFSZ-UHFFFAOYSA-N 441.579 5.395 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2N=Cc2ccc(Cl)cc2)cc1C 2331723993 BZFSNLKDSNCEIX-UHFFFAOYSA-N 439.972 5.039 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(C2CC2)n1N=Cc1ccc(C(C)C)cc1 2331726394 DYJJGQJHPWZMJG-UHFFFAOYSA-N 447.608 5.454 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(C3CC3)n2N=Cc2cccc(Cl)c2)c1 2331731213 NKTRTKLNGGQEPX-UHFFFAOYSA-N 439.972 5.039 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1c(C)c(C)c(Br)c(C)c1C 2372280203 TXMSFDJQBOLPDV-YLJYHZDGSA-N 437.422 5.250 30 10 IKEE Cc1ccsc1[C@H]1C2=C(CCCC2=O)Nc2nc(SCc3ccccc3Cl)nn21 1283622 OYOKLHGUBLRYMJ-GOSISDBHSA-N 442.997 5.616 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2 14466142 KPJZTYJQJPTTHP-KHCICDEESA-N 440.996 5.529 30 10 IKEE N#Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1 20829422 TUHXNESTHRDOIJ-UHFFFAOYSA-N 445.935 5.190 30 10 IKEE COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccccc2C)cc1OC 28052537 VHXXFYJDKOXMIE-MZNJEOGPSA-N 430.504 5.267 30 10 IKEE C=C(C)COc1ccc(-c2nc3scc(-c4ccc(C(C)C)cc4)n3c2CC#N)cc1 36294562 IDLNCOUXXYJWGF-UHFFFAOYSA-N 427.573 6.874 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S/C1=N/c1cccc(C)n1 39863437 JRSQVKVGZIRCRH-YJECAWTJSA-N 446.488 5.348 30 10 IKEE C=CCOc1cccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccc(C)cc2)c1 39876735 FZWDDFYBSHAIRT-XMMPIXPASA-N 441.458 5.555 30 10 IKEE O=C(NCc1ccco1)c1c(/N=C/c2ccc(Br)o2)sc2c1CCCC2 58826502 URTFQAHMCPIINO-SSDVNMTOSA-N 433.327 5.256 30 10 IKEE COc1ccc(C(=O)O/N=C2/C[C@@]3(C(=O)Nc4cc(C)cc(C)c4)CC[C@@]2(C)C3(C)C)cc1 100962520 HZTBUEFGTATEMW-QXOXRTFWSA-N 448.563 5.680 30 10 IKEE CCCCCCCCCC(=O)N(CC(=O)N(Cc1ccco1)C[C@H]1CCCO1)C(C)C 102997390 SMRNLDHDKFCNBM-HSZRJFAPSA-N 434.621 5.165 30 10 IKEE CCOc1cc(/C=N\S(=O)(=O)c2cccs2)ccc1OCc1cccc(Cl)c1 169907988 KZRWSOIBAXARLZ-XKZIYDEJSA-N 435.954 5.187 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cc(C)ccc2C)cc1 169924676 NYTCFQKYGZROMT-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccc(C)cc2)c1 169934602 HIISSLSFRTZFLR-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2)cc1 170032639 UHEIMDSFSZGEHU-QHCPKHFHSA-N 447.918 5.912 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2C2CCCC2)cc1 170034158 WSEUYKYZKQFYEU-VWLOTQADSA-N 433.548 5.315 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccccc2F)c1 170070066 FSKOTOQJGFRMQM-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2c[nH]c3ccccc23)c1 170075613 JXALUPMJFUXDQW-DEOSSOPVSA-N 438.483 5.268 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2cccc(O)c2)c1 170079496 YMLDJFJTTWLJBW-XMMPIXPASA-N 443.499 5.307 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccccc2C)cc1 170087186 ZCXCNHCINXJGCJ-XMMPIXPASA-N 426.516 5.152 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 170142436 MYYAMVDSEFOLMH-JOCHJYFZSA-N 428.875 5.303 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)c(OC)cc3C)[C@@H]2c2cccs2)cc1 170157126 DNGVASIJSTXIJI-QHCPKHFHSA-N 447.556 5.719 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccs2)ccc1Br 170166462 PWAJDVOAJILQKK-GOSISDBHSA-N 446.366 5.340 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccccc2)c1 170221511 HGAGYABAOLUYTR-RUZDIDTESA-N 435.479 5.631 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@@H]1c1ccccc1 170232506 YIEXYOAJTBNEJR-FQEVSTJZSA-N 432.545 5.497 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccccc2F)c1 170248382 TTZUJSHFHAGPET-QHCPKHFHSA-N 426.447 5.398 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2C)cc1C 170269980 FDIFETDFGAFZNO-QFIPXVFZSA-N 433.529 5.152 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1ccccc1C 170273050 TYAXAFVRSRYATH-XMMPIXPASA-N 441.527 5.712 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccco2)cc1Cl 170282632 XWZUGVUMDNYXMW-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccco2)cc1C(C)(C)C 170286145 LCBOYENYDBQYLW-QHCPKHFHSA-N 445.515 5.759 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccco2)cc1Cl 170288450 UFALBYMUHRPDMN-JLCFBVMHSA-N 449.890 5.348 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccc(C)o2)c1 170297650 YJTRKWYSVNZBAE-HSZRJFAPSA-N 447.487 5.167 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccc(C)o2)c(C)c1 170304745 PNTKVXBZOXZBSB-DEOSSOPVSA-N 445.515 5.775 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)[C@@H]1c1ccccc1F)c1ccncc1 170382447 MFJRWXSEUFEGSD-LJQANCHMSA-N 442.368 5.022 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]2c2ccc(N(CC)CC)cc2)cc1 170452807 RBCFWEOYRFUGPY-HSZRJFAPSA-N 434.580 5.610 30 10 IKEE Cc1ccccc1N=C1S/C(=C\c2c(F)cccc2Cl)C(=O)N1c1ccccc1C 252593550 BKUSRCLCTMTBJE-NEAWXCLQSA-N 436.939 6.905 30 10 IKEE COc1cc(C)c(/C=C2/SC(=Nc3ccccc3)N(C3CCCC3)C2=O)cc1C(C)C 252625155 QEKANXFTDOFSFP-GUGSDYAWSA-N 434.605 6.674 30 10 IKEE CCCCCCOC(=O)CSc1nnc(N/N=C(\C)c2ccc3ccccc3c2)[nH]1 253571338 OUWUPAACIMNZNZ-LFVJCYFKSA-N 425.558 5.010 30 10 IKEE CSc1ccc(/C=C2\SC(=Nc3c(C)cccc3C)N(c3ccccc3)C2=O)cc1 254622632 BOMAVHIAQDSVEG-JUQJSGDGSA-N 430.598 6.834 30 10 IKEE COc1cc(/C=C2/SC(=Nc3ccccc3)N(c3ccccc3)C2=O)ccc1OCC#N 254875475 VRTXUZWVUALUEM-QXPNDIFJSA-N 441.512 5.406 30 10 IKEE C[C@@H](Nc1ccc(Br)c(I)c1)c1cccc(C#N)c1 311963627 PLZOMAQHMGCYTF-SNVBAGLBSA-N 427.083 5.098 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(N(C)C)cc2)cc1 526516191 OASZOZZJTNGHAI-VWLOTQADSA-N 439.515 5.080 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2cccs2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 526607598 YYXCKFFPACLBGR-LJQANCHMSA-N 437.864 5.239 30 10 IKEE Cc1ccc(CSc2nncn2/N=C\c2c(Cl)ccc(Cl)c2Cl)c(C)c1 526810781 LSXSPOQTIDYHQS-NYAPKIOYSA-N 425.772 6.030 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1ccc(Cl)c(Cl)c1 526811158 CSOPVZWTOJLDDH-MSXFZWOLSA-N 433.408 6.329 30 10 IKEE CCCOc1cccc(/C=N\n2c(CCC)nnc2SCc2cccc3ccccc23)c1 526821115 BQBWNFXVFIRFBZ-IMRQLAEWSA-N 444.604 6.347 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@H](NC(=O)c3ccc(Cl)cc3)C2)c1 586004353 HOROOSKWHCWSMI-QFIPXVFZSA-N 439.987 5.212 30 10 IKEE C#CCCCCCC(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 686826892 VBFFSWVRBKRUAB-UHFFFAOYSA-N 426.601 5.089 30 10 IKEE COc1nsc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2C)c1Br 690137197 LZNCIMXLFJOELX-ZDUSSCGKSA-N 438.347 5.229 30 10 IKEE C=C1C[C@H]2CC(Nc3cc(I)ccc3Br)C[C@@H](C1)C2 697306205 FXQPVCHVRFWBPH-ONXXMXGDSA-N 432.143 5.601 30 10 IKEE CCOc1ccccc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 698458856 RGDONZKHSACKGF-GOSISDBHSA-N 431.330 5.854 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1 698470987 WZTZILPYFXGPSQ-MHECFPHRSA-N 429.561 5.418 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)C1 698882098 BIXXEWGSPVCQFY-WAIKUNEKSA-N 449.979 5.621 30 10 IKEE C[C@@H]1c2ccccc2C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 698967074 UXZWPMSRUDSWQE-QRQCRPRQSA-N 427.342 5.813 30 10 IKEE COc1cc(/C=C2\SC(=Nc3ccc(F)cc3)NC2=O)ccc1OCc1cccc(C)c1 1084050496 UAZRDKUFHUSGDU-UCQKPKSFSA-N 448.519 5.613 30 10 IKEE O=C1/C(=C\c2c(Cl)cccc2Cl)SC(=Nc2nccs2)N1C1CCCCC1 1772733209 IFVOFDYECVLOHB-GESHDMKESA-N 438.405 6.387 30 10 IKEE COc1cccc(/C=C2/SC(=Nc3nc(C)cs3)N(c3ccccc3)C2=O)c1OC 1772737587 LMAVLSLHMAXNAQ-RFWMEDTCSA-N 437.546 5.277 30 10 IKEE C/C(C=NN=C1S/C(=C/c2ccc(O)cc2)C(=O)N1Cc1ccco1)=C\c1ccccc1 1772759484 RYZFYQVDBCMFPR-BPTPUJEQSA-N 443.528 5.547 30 10 IKEE CCCCCCCCCCCCC[C@@]1(CCCC(=O)OCCO)OCC(C)(C)N1Cl 1848441240 NZUPPFPHGDYPEM-DEOSSOPVSA-N 448.088 6.354 30 10 IKEE CC[C@H](Sc1nc(O)c(C#N)c(-c2cccc(Cl)c2)n1)C(=O)OC1CCCCC1 1860463628 KUNJMZUVGPOVSK-KRWDZBQOSA-N 431.945 5.121 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccccc1C 1861036247 YPMDIQRZUYPTCO-RUZDIDTESA-N 440.603 5.732 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)CCc1ccc(OC)c(OC)c1 1861088625 SPFZCMUSRALSLX-SANMLTNESA-N 448.648 5.178 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(C(C)(C)C)cc2)n(Cc2ccc(F)cc2)n1 1862364732 FAWILGYYGDPRTR-UHFFFAOYSA-N 431.555 5.849 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(N(C)C)cc1 1862380925 NYVARJMLMXVDPK-HXUWFJFHSA-N 447.362 5.438 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccccc2)cc1 1862387040 BKSRWRJZFZDZBO-RUZDIDTESA-N 443.518 5.947 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccccc1F 1862412176 YDATZVUUWTUHFH-XFPJRNFQSA-N 429.438 5.261 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccccc2[N+](=O)[O-])cc1 1862478169 AGUIITLQQGPVGZ-NBCNXNJRSA-N 434.492 5.060 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 1862478707 OSGZOTNMTWJMTH-QHCPKHFHSA-N 446.503 5.372 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2cc(Cl)cc(Cl)c2)cc1 1862481905 HJNDXVQJSWHSOS-HXUWFJFHSA-N 432.347 5.926 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862481992 KZGCUIJIUHDVET-FQEVSTJZSA-N 432.347 6.070 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc3cc[nH]c3c2)c1 1862491213 NUWWGDJQMIBWTB-QHCPKHFHSA-N 442.540 5.625 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2cccc(Cl)c2)cc1 1862535256 CIHVPSSQCPWDPX-BXKMTCNYSA-N 445.946 6.242 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccc(Cl)cc2)cc1 1862536012 OYWVOVSMLPQRGO-DEOSSOPVSA-N 449.978 6.371 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862539557 YNEZCLMATRBQDY-KOSHJBKYSA-N 435.564 5.805 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cccc(F)c1)c1ccc2c(c1)CCCC2 1862545317 XBWNIKJYPBBWQG-XMMPIXPASA-N 433.523 5.616 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(C(F)(F)F)cc1 1862562263 BNSHQGKLFLHOKS-HXUWFJFHSA-N 446.469 5.446 30 10 IKEE O=C(C1=C(O)C(=O)N(C23CC4CC(CC(C4)C2)C3)[C@@H]1c1ccccc1F)c1cccc(O)c1 1862590296 FXWUPTQLAQYWPL-PHDLEGTPSA-N 447.506 5.078 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc2cc[nH]c2c1 1862596531 UWEASQJPHWAGHZ-DEOSSOPVSA-N 446.547 5.812 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C2CCCC2)cc1O 1862619110 NWFCOORAEWXTDT-HSZRJFAPSA-N 449.547 5.219 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1c(F)cccc1Cl 1862620377 QVSUVMHEQNVRHK-QKKBWIMNSA-N 443.946 6.153 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(Cl)c(Cl)c1 1862633157 GZEXDZNBPLRWMO-LJQANCHMSA-N 448.302 5.101 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc(F)cc2)cc1 1862663138 PTWMJWCYQKQNDE-BSDZUQITSA-N 435.539 6.106 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCc2ccccc2)cc1 1862674524 OAMXODUNGUEQHE-DEOSSOPVSA-N 429.491 5.345 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 1862690838 UWCBOCRGVSBVSU-FQEVSTJZSA-N 448.346 5.626 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862716312 DISNJQLCYUIMOS-CJAUYULYSA-N 443.543 6.005 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccccc3Cl)C2=O)c(C)c1 1863073812 IUJLOKPQKCVGEA-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CCCCCCCCCCNC1=C(c2cc(C)ccc2C)C(=O)N(Cc2ccccc2)C1=O 1863737298 ZROVHCSWWLLJDQ-UHFFFAOYSA-N 446.635 6.314 30 10 IKEE CC[C@@](C)(NC(=O)C[C@@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866746377 OQOAQKQSOVONOK-SHQCIBLASA-N 433.596 5.735 30 10 IKEE N#C[C@H](c1cccs1)N1CCC(C(=O)N(Cc2ccccc2)Cc2ccccc2)CC1 1867932668 ZYMPTFODCMXUTJ-XMMPIXPASA-N 429.589 5.254 30 10 IKEE COc1cccc2c3c([nH]c12)CCN(c1cc(Nc2cccc(C#N)c2)nc(C(C)C)n1)C3 1868220864 AAALKGHJXFENLU-UHFFFAOYSA-N 438.535 5.268 30 10 IKEE CC(C)c1nc(Nc2ccccc2C#N)cc(N2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)n1 1868238595 TZJMZCDNDXYKHD-VGSWGCGISA-N 431.515 5.321 30 10 IKEE C#CCOc1cn(CCC2=CCCCC2)c(CSCCc2nc3ccccc3[nH]2)cc1=O 1870302578 VDOYOHVHHGEAAB-UHFFFAOYSA-N 447.604 5.103 30 10 IKEE C#CCOc1cn(CCCCCC)c(CSc2ccc(Br)cc2)cc1=O 1870302647 YQVWEBDDKGIIRB-UHFFFAOYSA-N 434.399 5.495 30 10 IKEE CC(C)(C)c1ccc(/C=C2\Oc3c(ccc4c3CN(C3CCCCCCC3)CO4)C2=O)cc1 1871348645 KOURRUMMRYUAEC-ONUIUJJFSA-N 445.603 6.865 30 10 IKEE CC(C)CCN1COc2ccc3c(c2C1)O/C(=C\c1cc(Cl)cc2c1OCOC2)C3=O 1871352748 AWLUKLFCEMGYDW-NKVSQWTQSA-N 441.911 5.021 30 10 IKEE O=C1/C(=C/c2ccc(F)cc2)Oc2c1ccc1c2CN(C23CC4CC(CC(C4)C2)C3)CO1 1871353732 VRADEBUFMDQWMZ-VROXFSQNSA-N 431.507 5.563 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O 1871369245 BMUVEVVHIWXUGQ-IWIPYMOSSA-N 432.447 5.515 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc(C)c2C1=O 1871376195 YDPCWQMRHSFTRV-UUYOSTAYSA-N 429.428 5.355 30 10 IKEE O=C(Cc1cc(Cl)ccc1Cl)Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O 1871376468 MHVKQZSTCGDCBW-ODLFYWEKSA-N 431.296 5.819 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OCCOc4cccc(C)c4)ccc3C2=O)c2ccccc21 1871406096 HIHPPSKKGMHDEY-YUMHPJSZSA-N 439.511 6.044 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(OC)cc2C)[nH]c(N2CCCCCC2)n1 1871692189 RJGNMYCYZGZTSC-UHFFFAOYSA-N 440.636 5.507 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)c1ccccc1)S(=O)(=O)CCC 1872016825 WGXIVHVILZRSIQ-QHCPKHFHSA-N 442.625 5.282 30 10 IKEE Cc1cc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)ccc1F 1872773327 YSWDXBNQDXEGSU-SWLSCSKDSA-N 449.334 6.208 30 10 IKEE N#C[C@H](C(=O)Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872774260 LVOWTQBTHDZHQI-CQSZACIVSA-N 445.327 5.307 30 10 IKEE CCCCCCCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(C)c3)n2)cc1 1872777418 NEVHFFFBQZPORM-QHCPKHFHSA-N 432.589 6.958 30 10 IKEE COc1cc(-c2csc([C@@H](C#N)C(=O)Cc3cc(C)ccc3C)n2)c(OC)cc1Cl 1872781661 XHFFOEIOOHGMMX-KRWDZBQOSA-N 440.952 5.517 30 10 IKEE C=CCN(CC=C)C(=O)c1ccc2nc(Cc3ccc(OCc4ccccc4)cc3)[nH]c2c1 1872795749 VOUFPGYXNFNDDU-UHFFFAOYSA-N 437.543 5.547 30 10 IKEE C=CCNC1=C(c2ccc(-c3ccccc3)cc2)C(=O)N(Cc2ccc(Cl)cc2)C1=O 1873086042 SDPPICNGQMYFRX-UHFFFAOYSA-N 428.919 5.063 30 10 IKEE C=CCNC1=C(c2c(C)cc(C)cc2C)C(=O)N(C2CCCCCCCCCCC2)C1=O 1873119543 CXZLUMLZSQBNEQ-UHFFFAOYSA-N 436.640 6.141 30 10 IKEE CCCCCCCCN1C(=O)C(NC2CCCCCC2)=C(c2ccc(OC)cc2)C1=O 1873142834 SJQYJJGODOVAKH-UHFFFAOYSA-N 426.601 5.448 30 10 IKEE C=CCN1C(=O)C(Nc2cccc(Cl)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422783 OQRJYCAVGNCFTM-UHFFFAOYSA-N 431.923 5.126 30 10 IKEE C=CCOc1ccccc1OCC(=O)Nc1ccccc1-c1nc(-c2cccs2)no1 1873446128 YDSAQERDCLZXAP-UHFFFAOYSA-N 433.489 5.047 30 10 IKEE Sc1nnc([C@H]2CCCO2)n1/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1873504722 JALSJODPDHAMJJ-TYLRVVQJSA-N 449.363 5.186 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)cc2c(NCCC3=CCCCC3)ncnc21 1873639104 GQHMKOQECMZZQU-UHFFFAOYSA-N 429.568 5.789 30 10 IKEE CCCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccc[nH]1 1874193881 MUQFVWBPAJPJPH-ZVHZXABRSA-N 431.993 5.272 30 10 IKEE C(=N/n1c(CCc2cccc3ccccc23)nnc1SCc1ccccc1)\c1ccccc1 1874232461 MGTVHQMXXOANFF-ZTKZIYFRSA-N 448.595 6.391 30 10 IKEE Cc1ccc(OCCCc2nnc(SCCc3ccccc3)n2/N=C/c2ccc[nH]2)cc1 1874252141 IFMWXXLOWHWXTO-ZXVVBBHZSA-N 445.592 5.143 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccc(Cl)cc1 1874267023 WVFHOFGREDIILB-FOKLQQMPSA-N 433.364 5.714 30 10 IKEE C=CCSc1nnc(COc2ccccc2Cl)n1/N=C/c1c(F)cccc1Cl 1874267793 PPXOKNVJTOFXGN-FOKLQQMPSA-N 437.327 5.463 30 10 IKEE CCCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1cc(Cl)ccc1O 1874271101 FAXRJTIZTAVIFG-MFKUBSTISA-N 436.968 5.765 30 10 IKEE CCc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccccc2C)cc1 1874398451 HSHCWPDAOKGNEF-TURZUDJPSA-N 440.616 6.109 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(Cc2cccs2)n1/N=C/c1ccccc1 1874414906 PDQGAXPCZDMOAF-ZMOGYAJESA-N 442.972 5.897 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(CC(C)(C)C)n1/N=C/c1ccccc1 1874437353 WRZYUAUPEVIQSO-PCLIKHOPSA-N 435.597 5.042 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccco3)n2/N=C/c2c(Cl)cccc2Cl)c1 1874465460 KLMRVELVXQFFTN-WYMPLXKRSA-N 443.359 6.328 30 10 IKEE COCCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1c(F)cccc1Cl 1874472650 QARMFZZRPKHUMM-WYMPLXKRSA-N 432.952 5.051 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1/N=C/c1sccc1C 1874475411 YWYTYJFCKGGDIQ-YDZHTSKRSA-N 441.626 5.220 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccccc1C(=O)O 1874479194 NOOKUHDINYHLSJ-WGOQTCKBSA-N 444.560 5.647 30 10 IKEE CCSc1nnc(C(C)(C)C)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874481876 CQCCWLTYCYJZBQ-ZVHZXABRSA-N 428.989 5.802 30 10 IKEE COCc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccccc1OC(C)C 1874502228 WTFCONVXVHVCHO-FSJBWODESA-N 430.961 5.040 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C(C)C)cc1 1874517283 PUUURQMOWVNGOB-BRJLIKDPSA-N 447.435 7.006 30 10 IKEE CCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874523873 LYTYPRCIWNOMRN-JVWAILMASA-N 446.551 5.733 30 10 IKEE CCCOc1ccc(/C=N/n2c(CC)nnc2SCc2c(Cl)cccc2Cl)cc1 1874525802 GOGVTJRJFBLJCU-ZMOGYAJESA-N 449.407 6.111 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccccc2Cl)c1OCc1ccc(C)cc1 1874574888 KMAYTYUMEHTWRA-VAWYXSNFSA-N 427.327 6.786 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(Cl)cc2)c1OCc1cccc(Cl)c1 1874577345 JOWYDAWRJSCXGS-JXMROGBWSA-N 447.745 7.131 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Br)ccc2OCc2ccc(F)cc2)c(C)c1 1874578975 PWRAVCLNRZTJTF-IZZDOVSWSA-N 439.324 6.680 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3cc(C)ccc3C)c2)cc1 1874593734 ZDTVZOUKWZEACM-FOWTUZBSSA-N 428.572 7.130 30 10 IKEE Cc1ccc(NC(=O)COc2cccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)c2)cc1C 1874594038 OWQIKCBXLZHQGL-RVDMUPIBSA-N 439.555 6.096 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3cc(C)ccc3C)c2)cc1 1874595899 IFISRVUQAFQELJ-XNTDXEJSSA-N 443.543 6.006 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1OC 1874602965 IDKQNEWSZBGDCN-IZZDOVSWSA-N 443.326 6.486 30 10 IKEE C=CCOc1c(Br)cc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc1OCC 1874623439 CPHYHFKTGXOYGM-SOFGYWHQSA-N 435.289 5.456 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Br)c1OCCCO 1874635030 DLECVWPKCZJPGY-VOTSOKGWSA-N 433.342 5.040 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)ccc1OCc1cccc(C)c1 1874638873 WUTDZHXFNHFNNM-SDNWHVSQSA-N 438.523 6.641 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1 1874669636 JTZJBAPEBXFRKA-AREMUKBSSA-N 447.623 5.766 30 10 IKEE Cc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)c2)cc1C 1874692481 JGMCJBORTLIFFJ-ZRDIBKRKSA-N 431.444 5.092 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCCOc3ccccc3C)c2)cc1 1874701516 WWFDOSCAPUCGDV-QGOAFFKASA-N 444.527 6.054 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2cccc(OC(C)C)c2)CSc2nnc(C)n21 1874827484 RLXNWHLUVZWITL-OAQYLSRUSA-N 430.618 5.436 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1OCC 1875082639 KZMDVFKWKXMSQZ-LDADJPATSA-N 428.528 6.744 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc([N+](=O)[O-])c1OC(=O)CC(C)C 1875109534 SFVWCVRAFCASBH-VQHVLOKHSA-N 441.480 5.158 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Br)cc2)ccc1OC(=O)CC(C)C 1875110809 DBOLRHCJAKPDJF-VZUCSPMQSA-N 431.326 5.695 30 10 IKEE CCCCCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 1875116603 JIFVULBAKPLVJD-NTEUORMPSA-N 441.480 5.384 30 10 IKEE Cn1c(C(=O)Oc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc2ccccc21 1875116715 OUNQOQAIJJSDIX-OVCLIPMQSA-N 426.428 5.202 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1ccc(C)cc1 1875156702 KFMISMDWOAAPMB-LZYBPNLTSA-N 428.528 6.632 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1OC(=O)COC 1875169103 JKOPYUKLPBDACQ-CMDGGOBGSA-N 430.928 5.420 30 10 IKEE N#Cc1cccnc1OCC1CCN(C(=O)[C@H](Sc2ccccc2)c2ccccc2)CC1 1891478026 CVIPVDHQSSYAPY-XMMPIXPASA-N 443.572 5.104 30 10 IKEE C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(I)c(Cl)c1 1914546787 BNDGWLASFKCDDZ-UHFFFAOYSA-N 425.697 5.163 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)C1(c2ccc(NC(=O)OC(C)(C)C)cc2)CC1 1922120621 UKTHDBRVGIFXAT-XMMPIXPASA-N 436.596 5.816 30 10 IKEE C=C([C@H](NCCC)c1cc(Cl)c(NC(=O)OC(C)(C)C)c(Cl)c1)[Si](C)(C)C 1923004251 JDRCAGFFOIWSLN-KRWDZBQOSA-N 431.480 6.815 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@]1(C#N)Nc1ccccc1Br 1924920150 JPNRTPDNYWEKRG-QVKFZJNVSA-N 434.378 5.228 30 10 IKEE CCCCCCC[C@@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)C(=O)O 1927449159 FGQXDJLQFGJKMM-UZTOHYMASA-N 437.580 6.365 30 10 IKEE CC(C)(C)OC(=O)N(C1CCC1)[C@H](C#N)c1cc(Br)ccc1Br 1935890359 DWGBXEZPFWESLM-OAHLLOKOSA-N 444.167 5.566 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 1944566012 NOPPWCKGRPLAGX-MHECFPHRSA-N 435.609 5.533 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@H](C#N)[C@H]1CCCCN1C(=O)OC(C)(C)C 1944736439 NKHDNYMAWHNSTH-RTBURBONSA-N 433.524 5.249 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)c1 1945525566 PLCWJCMLDLDPRM-RLLQIKCJSA-N 429.561 5.274 30 10 IKEE C=CCCCCCC[C@H](NCC)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2026015037 PMSANASKCPMXJA-ZEQRLZLVSA-N 431.665 5.516 30 10 IKEE C=C(C)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@H]3[C@]4(C)CC[C@@H](O)[C@@]3(C)CO)[C@H]12 2037748622 RFCPTXGFYWKJJB-YPBKUOSCSA-N 442.728 6.997 30 10 IKEE Cc1cccc(N=C2NC(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccccc3)S2)c1 2040447567 VAGQUDISJBPKJD-UHFFFAOYSA-N 436.540 5.739 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2CC(C#N)(N(C(=O)OC(C)(C)C)c3ccc(F)cc3)C[C@@H]2C1 2040986795 WRBRQUTXXSOZPX-IAGOWNOFSA-N 445.535 5.106 30 10 IKEE CCCCCCCCCC(=O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2041903734 SXEDWWUTGDASHA-HHHXNRCGSA-N 445.644 6.540 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1CN(C(=O)OC(C)(C)C)C2(CCCC2)C1 2049704204 LMXBLHGJRJBZRH-DNQXCXABSA-N 442.644 5.697 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCCN(C(=O)OC(C)(C)C)C1 2053096774 FPQPWEATTDZNSZ-DEOSSOPVSA-N 445.560 5.120 30 10 IKEE C[C@@H](Sc1cc(C=Cc2ccc(Cl)cc2)c(C#N)c2nc3ccccc3n12)C(=O)O 2053624748 RXRSUOZBWZZOHT-CQSZACIVSA-N 433.920 5.748 30 10 IKEE C=C(CC)C[C@H](NC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071352937 COCQIYVSMUMQQI-LSYYVWMOSA-N 431.576 5.822 30 10 IKEE C=CCC[C@H](C)[C@@H](N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071353145 GBVCTKXVOYJIAX-GJJMEYSYSA-N 431.576 5.808 30 10 IKEE CC1([C@H](c2ccc(C(F)(F)F)cc2F)n2nc(C(F)(F)F)c(CN)c2Cl)CC1 2079977428 LWDDKZJPXKZWBV-ZDUSSCGKSA-N 429.767 5.561 30 10 IKEE CC(C)(C)[C@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)(F)F)c(C(N)=O)c1Cl 2080053345 SPGJVCXMQNVNRU-LBPRGKRZSA-N 445.766 5.448 30 10 IKEE C=C([C@H](NCCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1)C(C)(C)C 2096629285 ATLMAPZYCPNOFV-SFHVURJKSA-N 425.411 6.439 30 10 IKEE CN(C(=O)OC(C)(C)C)[C@H]1CC[C@@H](Nc2cc(Br)c(C#N)cc2F)CC1 2106027160 BPRWKDHBSXVLFC-OKILXGFUSA-N 426.330 5.050 30 10 IKEE N#Cc1cc(Br)cnc1N[C@H]1CN(Cc2ccccc2)C2(CCCCC2)C1 2154542165 RGRPFSIYSSAKPG-HXUWFJFHSA-N 425.374 5.105 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](CNc1cc(Br)c(C#N)cc1F)c1ccccc1 2162350503 MXVDLOYONFNTQB-SFHVURJKSA-N 434.309 5.138 30 10 IKEE CCN(C(=O)OC(C)(C)C)c1ccc(CNc2cc(Br)cc(C#N)c2)cc1 2176855501 HORHXTWNRWDVEK-UHFFFAOYSA-N 430.346 5.694 30 10 IKEE C#Cc1cccc(N(C)C(=O)c2ccc(NC(=O)OC(C)(C)C)c(Br)c2)c1 2180045023 CMBYHHFTAQTAOQ-UHFFFAOYSA-N 429.314 5.054 30 10 IKEE C=CCC1([C@@H](NCCC)c2cc(F)ccc2Br)CN(C(=O)OC(C)(C)C)C1 2198479100 DBDOIMBORJBMDE-SFHVURJKSA-N 441.385 5.442 30 10 IKEE CC(C)(C)OC(=O)N(CCNc1c(Br)cccc1C#N)OCc1ccccc1 2241650280 KSYBLYZEDLRQTM-UHFFFAOYSA-N 446.345 5.102 30 10 IKEE CCN[C@H](CC=CC#CC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2256731526 RIRQSUPBYWVMJI-QPTUXGOLSA-N 442.644 5.459 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1C[C@@H]2C[C@H](C1)CN(C(=O)OC(C)(C)C)C2 2258605979 XNLKXJMIPMCEKE-LIONHTAISA-N 442.644 5.411 30 10 IKEE CC(C)(C)C#CC=CC[C@H](O)c1ccc(I)c(Br)c1 2268829611 IFYSFNNFPJJJFK-HNNXBMFYSA-N 433.127 5.083 30 10 IKEE C=CC[C@@]1(COc2ncc(Br)cc2F)CCCCN1C(=O)OC(C)(C)C 2272081562 RNJRSOOYPGSMLU-IBGZPJMESA-N 429.330 5.098 30 10 IKEE CC(C)c1cc(Br)cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2)c1 2280737224 NFVUNBMIVQFRNB-FQEVSTJZSA-N 429.358 6.579 30 10 IKEE CC(C)(C)OC(=O)NC1C[C@@H]2CCC[C@H](C1)C2Nc1ccc(C#N)c(Br)c1 2285777271 LCQDQXKVPACNRH-BQIGGSFXSA-N 434.378 5.205 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H](C(C)(C)C(=O)C#Cc2cccc(Br)c2)C1 2296218934 JMTCKULMPHIOPK-KRWDZBQOSA-N 434.374 5.043 30 10 IKEE Cc1ccc(CN2c3ccccc3C(=O)C(=CNc3cccc(C)c3C)S2(=O)=O)cc1 2296989361 PORDWXRXQKUSEB-UHFFFAOYSA-N 432.545 5.098 30 10 IKEE CN(C)[C@H](CNc1oc(C=Cc2ccc(F)cc2)nc1C#N)c1ccc(C(F)(F)F)cc1 2297679784 OHXQIKDZGDDIQR-HXUWFJFHSA-N 444.432 5.589 30 10 IKEE Cc1cccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCCCc2ccccc2)C4)c1 2322252241 PEIMDXWXVRXIFS-UHFFFAOYSA-N 439.555 6.094 30 10 IKEE Cc1cccc(COc2ccc(Br)cc2C=CC(=O)c2cccc(Cl)c2)c1 2322521597 FHMFFTQMTOJDPA-UHFFFAOYSA-N 441.752 6.886 30 10 IKEE COc1ccc(CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1 2322904267 XVNIEIQIZZCPIZ-UHFFFAOYSA-N 434.875 5.421 30 10 IKEE Cc1ccc(CCC(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2323085988 CVACEKMOZRMYEC-UHFFFAOYSA-N 432.903 6.111 30 10 IKEE C=C(C)COc1c(OC)ccc(C=CC(=O)c2cccc3ccccc23)c1Br 2323203077 QSYHKVDWDHVYEH-UHFFFAOYSA-N 437.333 6.462 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OCC(=O)NC1CCCCC1 2323203496 RDXZMEANPQLYAC-UHFFFAOYSA-N 435.564 5.542 30 10 IKEE COc1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1 2323423669 VDYPDOVEDVWKPU-UHFFFAOYSA-N 430.431 5.378 30 10 IKEE O=C(O)C=Cc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1 2323603415 ZJQNTGFLHOMOEN-UHFFFAOYSA-N 446.842 5.273 30 10 IKEE N#Cc1cccc(C(=O)Oc2ccc(C3=CCN(C(=O)C=Cc4ccccc4)CC3)cc2)c1 2323790949 WJWHQMRXMWIBBH-UHFFFAOYSA-N 434.495 5.107 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1)Nc1ccccc1 2324281176 UDUOSMDZNTXYQF-UHFFFAOYSA-N 449.506 6.393 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2ccc(OCc3ccccc3)c(Cl)c2)cc1Cl 2324595521 WQQVWHPKRPDJDH-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)c(OC)cc2C)ccc1OCc1ccccc1C 2324645692 BZVIOLLSURUUJT-UHFFFAOYSA-N 430.544 6.494 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OCCOc3cccc4ccccc34)cc(C)c2C1=O 2324696959 XGCLODTTYOZCMP-UHFFFAOYSA-N 442.536 6.592 30 10 IKEE CCc1ccc(NC(=O)[C@H](CC)Oc2ccc3c(c2)OC(=Cc2cccc(C)c2)C3=O)cc1 2324816884 RORDZBFLNBXGPB-DEOSSOPVSA-N 441.527 5.970 30 10 IKEE O=C1C(=CC=Cc2ccccc2)Oc2cc(OC(c3ccccc3)c3ccccc3)ccc21 2325216019 SARZEFVIENYLQW-UHFFFAOYSA-N 430.503 7.027 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCc4ccccc4C#N)c3C)C2=O)c(OC)c1 2325354421 ITSYEDTUVMVGOF-UHFFFAOYSA-N 427.456 5.079 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2Cl)cc1OC(=O)c1ccc(F)c(F)c1F 2325716914 CMYWRECTOQFPPY-UHFFFAOYSA-N 446.808 5.881 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2Cl)cc1OC(=O)c1cccc(Cl)c1 2325717228 UWJQCMXBYDGRHL-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)c2)cc1 2325719395 TVGCCDLYKIRNRY-HXUWFJFHSA-N 444.527 6.088 30 10 IKEE COc1ccccc1C(=O)C=Cc1cccc(OC(=O)CC23CC4CC(CC(C4)C2)C3)c1 2325724535 QRVLXIPGRKKYFM-UHFFFAOYSA-N 430.544 6.103 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2Cl)C3=O)c1C 2325738200 NJCSRJLOGAELJQ-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(F)c(F)c3)c2)c(OC)c1 2325753482 MVYUOPPSQFXXDW-UHFFFAOYSA-N 438.426 5.026 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc1OC(=O)C1CCCC1 2325763821 YANVYJHLYBVHHE-UHFFFAOYSA-N 428.912 5.657 30 10 IKEE CCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(OC(C)(C)C)cc1 2326546451 BQACBDVYRUGXFW-UHFFFAOYSA-N 428.989 5.846 30 10 IKEE CCCSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1cccc2ccccc12 2328799929 XKQXITXVBCGSDF-UHFFFAOYSA-N 430.577 6.011 30 10 IKEE COc1ccc(Cc2nnc(SCc3cc(C)ccc3C)n2N=Cc2cccs2)cc1 2329278047 AFMILHHFACVLKP-UHFFFAOYSA-N 448.617 5.730 30 10 IKEE CCCSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1ccc(Cl)c(Cl)c1 2329445856 WTMKIRSSNHCCBB-UHFFFAOYSA-N 433.408 6.177 30 10 IKEE CCc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCCc2ccccc2)cc1 2330197119 VWOSSTYSBZEEQZ-UHFFFAOYSA-N 440.616 5.843 30 10 IKEE Fc1ccccc1CSc1nnc([C@@H]2CCCO2)n1N=Cc1cccc2ccccc12 2330961212 FEUAMUHFODRQHW-QFIPXVFZSA-N 432.524 5.596 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)cc2)cc(OC)c1OC(=O)c1cccs1 2330986761 KNDACWBBRMPHQA-UHFFFAOYSA-N 434.513 5.609 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2[C@@H]2CCCO2)cc1 2330990215 ZHURFWGASPTBEB-FQEVSTJZSA-N 442.972 5.356 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)[C@H](C)c1ccccc1 2331218469 GITUJJFOHXMHTG-HXUWFJFHSA-N 444.527 5.926 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)Cc1ccc(C)c(C)c1 2331344556 VTELFTHFQJXADO-UHFFFAOYSA-N 446.518 6.194 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)C)n2N=Cc2ccc(C(C)(C)C)cc2)c1 2331456377 HHVSSSGCCVHBLZ-UHFFFAOYSA-N 434.653 6.565 30 10 IKEE COc1cccc(C=Nn2c(CC(C)C)nnc2SCc2ccccc2Cl)c1O 2331456784 GGVDDWYXCGEINQ-UHFFFAOYSA-N 430.961 5.019 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)Cc1ccccc1F 2331539440 IFWPAJSWESNTDE-UHFFFAOYSA-N 448.465 5.746 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc4ccccc4n3C)cc2)c(C)c1C 2331612595 VKNDOJGLKSZTLT-UHFFFAOYSA-N 439.511 5.919 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1OC(=O)C1CCC1 2331641735 ZCQNLHBEMCPOCR-UHFFFAOYSA-N 426.940 6.184 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(OC(C)=O)cc2)cc1 2331659520 RZOJBYQGSAQYPC-UHFFFAOYSA-N 444.483 5.353 30 10 IKEE CC(C)c1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1c(Cl)cccc1Cl 2331673141 FCEFQIQAFAGVOU-UHFFFAOYSA-N 448.379 5.321 30 10 IKEE CCCOc1c(C=Nn2c(SCc3cccc(C)c3)nnc2C(C)C)cccc1OC 2331689865 NXJGAUBTDOVEJX-UHFFFAOYSA-N 438.597 5.682 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(Br)c1OC(=O)C(C)C 2331773847 QOXYUTLACQQKFJ-UHFFFAOYSA-N 445.353 5.840 30 10 IKEE C[C@H]1CN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)[C@H](C)[C@@H](C)N1Cc1ccccc1 2365059352 PACQSMIBNPYWKD-OWHMEISOSA-N 447.432 5.214 30 10 IKEE CC1(C)OB(/C=C/c2ccc(Oc3cc(Cl)ccc3Br)nc2)OC1(C)C 2365118565 DKNMKEGOQBASRO-MDZDMXLPSA-N 436.542 5.934 30 10 IKEE Cc1cc(CNCc2ccc(OCc3ccccc3)cc2)ccc1B1OC(C)(C)C(C)(C)O1 2369615435 JDUBKJLTJGFUSS-UHFFFAOYSA-N 443.396 5.163 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Br)c(Oc2ccc(C#N)cc2[N+](=O)[O-])c1 2370342533 WLOPOTWKNKXRNK-UHFFFAOYSA-N 434.246 5.368 30 10 IKEE N#Cc1ccccc1CSc1nc2c(sc3ccccc32)c(=O)n1C1CCCCC1 2962100 AOONJPJYDWQTTE-UHFFFAOYSA-N 431.586 6.280 30 10 IKEE C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2)nc2scc(-c3ccccc3)c2c1=O 9041773 LIGOPBSQBGVZPK-MRXNPFEDSA-N 447.585 5.430 30 10 IKEE Cc1cccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)c1C 21722317 FXWOBPGWIFFPJH-RUZDIDTESA-N 427.504 6.109 30 10 IKEE C=CCn1c(SCc2nc(CCC)no2)nc2scc(-c3cccs3)c2c1=O 29333016 WCBPHXCYICLOOD-UHFFFAOYSA-N 430.580 5.000 30 10 IKEE C=CCOC(=O)c1sc(NC(=O)[C@H](CC)Sc2cc(C)c3ccccc3n2)nc1C 32528614 WQVOZZLPZUEMJP-KRWDZBQOSA-N 441.578 5.160 30 10 IKEE FC(F)(F)c1cc(NC(=S)N/N=C/c2cccc3ccccc23)cc(C(F)(F)F)c1 33752766 AYVXOIOUKWJSQR-LUOAPIJWSA-N 441.400 6.198 30 10 IKEE COc1cccc(/C=C2\S/C(=N/c3cccnc3Cl)N(C3CCCCC3)C2=O)c1 39864099 OWYQHECDOFGFQI-ORONYANGSA-N 427.957 5.680 30 10 IKEE O=C(Cc1cccs1)Oc1ccc2c(c1)O/C(=C\c1ccccc1OC(F)F)C2=O 41354797 KNJFDCYPFTZVRN-GRSHGNNSSA-N 428.412 5.114 30 10 IKEE C=CCn1c(S[C@H](C)c2nnc(C3CCC3)o2)nnc1-c1ccc(Br)cc1 59877949 AZVXJSBGRHWBAC-GFCCVEGCSA-N 446.374 5.397 30 10 IKEE C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O[C@H](O)C(Cl)(Cl)Cl 84759529 DNADMXUXHNLBKR-RBZZARIASA-N 435.819 5.592 30 10 IKEE biogenic,in-man CCCCCCCOc1ccc(NC(=O)COc2ccc(Br)c(C)c2)cc1 100155329 YUBWUBXREPVMMX-UHFFFAOYSA-N 434.374 6.124 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)S/C1=N/c1ccccn1 101124073 BRVXUQNYRRAPAQ-KRDYEMGESA-N 444.343 6.272 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(Nc2ccc(C)cn2)c1N 101532027 XTVOEMZEJJIIDQ-UHFFFAOYSA-N 440.680 7.399 30 10 IKEE CCCCCCCCCCCCn1c(CNC(=O)c2ccccc2F)nc2ccccc21 102218386 QPARKEDDWVPRCL-UHFFFAOYSA-N 437.603 7.026 30 10 IKEE CCCCCCCCNCc1cc(Br)ccc1OCC(=O)NC(C)(C)C 103953599 APYSUJHKNXZVDZ-UHFFFAOYSA-N 427.427 5.193 30 10 IKEE COc1cc(/C=N\Nc2nc3ccccc3[nH]2)ccc1OCc1ccc(Cl)cc1Cl 169899930 PMCVXAKJPNTXRG-ROTLSHHCSA-N 441.318 5.903 30 10 IKEE Cc1cc(C)c(S(=O)(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)c(C)c1 169904373 PCRXRSYWNKURDY-AFUMVMLFSA-N 442.968 5.157 30 10 IKEE CCN1C(=S)N[C@@H](c2ccc(OCC(C)C)c(OC)c2)C(C(=O)c2ccccc2)=C1C 169931786 VGEPNBMPZMOUHZ-QHCPKHFHSA-N 438.593 5.138 30 10 IKEE COc1cc(/C=N\Nc2nc(-c3cccs3)c(C)s2)ccc1OCc1ccc(C)cc1 169939979 YLXAWYDAFMXAIU-QFEZKATASA-N 449.601 6.522 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2cccc(C)c2)cc1 169968764 GTWMDSQJBXOWJH-XMMPIXPASA-N 427.500 5.349 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2cccc3ccccc23)cc1C 170044562 UPCOCWQVMKRXFG-OFVILXPXSA-N 441.527 5.214 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccc(C(C)C)cc2)cc1C 170067394 ILHNTDQHBYGAHC-RUZDIDTESA-N 440.543 5.600 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2ccccc2F)c1 170069056 QEKWOWLDGXXYJR-HSZRJFAPSA-N 447.462 5.016 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccccc2F)c1 170072325 JZTYITUHJYBYJC-HSZRJFAPSA-N 449.453 5.142 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc(F)cc2)=C(O)C(=O)N1c1ccc(F)c(F)c1 170105477 ZSEVKUZULIOUIT-GOSISDBHSA-N 429.419 5.257 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2c2cccc(F)c2)c1 170140323 XRKKWMHTJLSTQB-XMMPIXPASA-N 443.474 5.242 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@H]1c1ccc(C(C)(C)C)cc1 170149994 FNBIRPSHWWSXNR-OAQYLSRUSA-N 441.955 5.634 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)cc1C 170159789 LATBYPHHHVMSSD-QFIPXVFZSA-N 433.529 5.465 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccs1)c1cccc2ccccc12 170163189 QPHWBPCYUIRVBT-JOCHJYFZSA-N 426.497 5.075 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccccn2)c1C 170172794 APZUAFDCSUXZSC-VWLOTQADSA-N 434.495 5.635 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1cccc2ccccc12 170221235 MCWCUOZKTRZNPB-HSZRJFAPSA-N 441.483 5.583 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@@H]2c2ccccc2)cc1 170224354 CZRMGSMKUGWQFT-XMMPIXPASA-N 427.500 5.431 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1)c1cc2cc(Cl)ccc2o1 170226335 KWYCHNNKXYMFML-JOCHJYFZSA-N 429.859 5.869 30 10 IKEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1ccccc1 170233394 DHHCXXOIDAQAIY-XMMPIXPASA-N 448.607 5.213 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@H]1c1ccc(Cl)cc1 170236050 VSAWBXOPBBBKAR-LJQANCHMSA-N 434.319 5.380 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@@H]1c1ccc(Cl)cc1 170236867 WIBOOBUVYHEYCG-FQEVSTJZSA-N 431.891 5.256 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(F)cc2)cc1 170238292 URYBDBPJBVFZLV-QHCPKHFHSA-N 449.453 5.537 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1cccc(O)c1)c1cc2ccccc2o1 170257794 BBINILZMEHZXRP-QFIPXVFZSA-N 429.403 5.060 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccco2)cc1 170284637 XQJDSNNANORAGC-QHCPKHFHSA-N 425.440 5.224 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccco2)c1 170297040 NFGORBQMMDUUOF-RUZDIDTESA-N 441.527 5.554 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2c2ccc(F)cc2)o1 170299593 ZRFFNTDZGWJHAI-QFIPXVFZSA-N 435.451 5.297 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cc4cc(Cl)ccc4o3)=C(O)C(=O)N2C2CCCCC2)o1 170308353 GTSWNWUKTLANOX-NRFANRHFSA-N 439.895 5.899 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1sccc1C 170317883 QKJOBNVRSUZKPM-HXUWFJFHSA-N 441.593 5.277 30 10 IKEE CCCCCCCCC[C@@H](C(=O)O)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 232986685 QSVZPWRUTINDRN-VWLOTQADSA-N 437.580 6.461 30 10 IKEE CCOc1cc(C(=O)N2CCCSC2=Nc2ccccc2)cc(OCC)c1OCC 252510674 BDZDJCNBXCZTMG-UHFFFAOYSA-N 428.554 5.150 30 10 IKEE CCCN1C(=O)/C(=C/c2cccc(OCC)c2O)SC1=Nc1ccc(OCC)cc1 252641484 ZDCKDNINEZLETI-UBWZAKNHSA-N 426.538 5.204 30 10 IKEE CC1CCN(CN2C(=O)C(=Nc3ccc(OC(F)(F)Cl)cc3)c3ccccc32)CC1 254696803 CZCVSZJCVBULKX-UHFFFAOYSA-N 433.886 5.011 30 10 IKEE COC(=O)[C@]12CCC(C)(C)C[C@@H]1C1=CC[C@@H]3[C@]4(C)CC/C(=N\O)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 504596338 UKXCLLYLCRBBDH-LIBOMRDESA-N 441.656 6.765 30 10 IKEE Cc1ccc(SC2=C(Nc3ccc(F)c(F)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 526662836 OHFZJNYLDNWIPY-UHFFFAOYSA-N 447.466 5.134 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1/N=C\c1ccc(OCC(C)C)cc1 526802904 NLFJCHVMORFZDT-QFEZKATASA-N 426.561 5.579 30 10 IKEE Clc1cccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccncc2)c1 526812630 DXOBJGOAMKPVQN-QQXSKIMKSA-N 433.968 5.286 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1ccc(OCC)cc1 526824224 QVACLXMRVFFOSD-CFRMEGHHSA-N 449.407 6.111 30 10 IKEE Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1ccc(OC(C)C)c(Cl)c1 526829164 VDTLCWUDYWCLAP-JJFYIABZSA-N 445.932 5.110 30 10 IKEE C[C@@H](Nc1ccc(Br)c(C#N)c1)c1ccc(I)cc1 690221954 VLLFBGNVSPGAKS-SNVBAGLBSA-N 427.083 5.098 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@H](C)C1 698424101 JDWJQUSBJFKHEC-HOYKHHGWSA-N 429.561 5.418 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c3ccccc3)C[C@H]2C1 698441564 BCTCOYQKUBZBGF-XHNVNVPESA-N 441.572 5.357 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1ccc(Br)cc1F 698484615 IIPUNSLNWORHQO-QGZVFWFLSA-N 435.293 5.603 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 698490154 SFEAZNUPSOPOEH-CYFREDJKSA-N 429.561 5.500 30 10 IKEE C=CCC1([C@@H](NCC)c2cccc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 722924333 XIVSMKRKUFCESO-KRWDZBQOSA-N 427.358 5.052 30 10 IKEE Oc1ccc(-c2ccccc2)cc1N/C(=N/CCc1cccc(F)c1)NCc1cccs1 1088736307 TVFYNGPIGPZPDM-UHFFFAOYSA-N 445.563 6.060 30 10 IKEE C[C@H]1C/C(=N/c2ccc(F)cc2)c2cc(F)ccc2N1C(=O)c1ccc(C(C)(C)C)cc1 1615948544 JZSBZOVDHSKCNJ-ODBSEERQSA-N 432.514 6.822 30 10 IKEE O=C1NC(=NN=Cc2cccc3ccccc23)S[C@H]1Cc1ccc(Cl)c(Cl)c1 1772724782 OJLQIZIMYDCGFG-IBGZPJMESA-N 428.344 5.311 30 10 IKEE C/C(=C1/SC(=Nc2cccnc2Cl)N(C2CCCCC2)C1=O)c1ccc(N)cc1 1772732933 HXELFZJRKGVZTJ-OQZKWKKUSA-N 426.973 5.644 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=Nc1nc(-c2ccccc2)cs1 1772734744 FNHBXXXPRFEPDG-OBBBTXPFSA-N 447.541 5.329 30 10 IKEE Cc1cccc(NC(=O)c2oc3c(c2C)C(=NNc2ccc([N+](=O)[O-])cc2)CCC3)c1C 1772747674 NSMJLOHSNNGGCI-UHFFFAOYSA-N 432.480 5.518 30 10 IKEE Cc1ccc(C(=O)C[C@H]2SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1 1772759860 BKCDFYNLWFLJTQ-XMMPIXPASA-N 428.557 6.021 30 10 IKEE N#Cc1cccc(Cn2c(-c3cccnc3)nc3scc(-c4cccs4)c3c2=O)c1 1857804151 VGNJWVGFOYSYIK-UHFFFAOYSA-N 426.526 5.168 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccc2OCCCCCCCCC)c1 1858750315 VVPCBMPCDJRDSA-UHFFFAOYSA-N 437.628 7.301 30 10 IKEE CCOC(=O)c1sc(NC(=O)c2c3c(nc4c(Cl)cccc24)CCC3)c(C#N)c1C 1859643424 BALSONODCIMDOP-UHFFFAOYSA-N 439.924 5.048 30 10 IKEE N#Cc1c(NC(=O)c2cnc(-c3ccccn3)s2)oc(-c2ccccc2)c1-c1ccccc1 1859743766 IBNWHDYZEBVWRT-UHFFFAOYSA-N 448.507 6.256 30 10 IKEE CCCCCCCCCOc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 1860143789 WNGZGGPFZPGPAO-UHFFFAOYSA-N 429.604 7.587 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(Cl)cc1Cl 1862416633 QRQMQMDBRWDGLX-YPMLDQLKSA-N 440.273 5.648 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@@H](C)CC)c1 1862419600 WLBFZAMJCZJGHF-LHSJRXKWSA-N 429.463 5.130 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccccc1Cl 1862432788 NAHWNGGXHWBUPR-XWRIVVANSA-N 444.358 6.150 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccccc2Cl)cc1 1862474016 JGMVUKGJKDSNOL-DEOSSOPVSA-N 445.946 5.989 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCc2cccs2)cc1 1862478953 VGZPDXHXOCWGSW-QHCPKHFHSA-N 447.556 5.276 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cccc(C)c1 1862489436 BSHVXAVIBVWLIY-RUZDIDTESA-N 433.592 6.551 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2cccc3ccccc23)c1 1862494571 NWPLNWWZWAGCQB-VWLOTQADSA-N 427.544 6.081 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cc(Cl)cc(Cl)c1 1862498225 CLEDNLCQXHTBIH-OAQYLSRUSA-N 446.374 6.379 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cc(Cl)cc(Cl)c1 1862498374 GUHBSYCRVDKXOW-FQEVSTJZSA-N 448.346 5.225 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccc(Cl)cc2)ccc1F 1862503361 WEFJYBFANYOFHZ-MWTRTKDXSA-N 449.909 6.127 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccc(C)cc2)cc1 1862507554 OFXMQXJQPRJDIC-RUZDIDTESA-N 443.518 5.572 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cccc(F)c1)c1cccc(Br)c1 1862525282 YTSLSLJWPNWKPW-IBGZPJMESA-N 444.300 5.109 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 1862538081 CTMUUKPRMUALSD-OAQYLSRUSA-N 444.358 6.077 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(Cl)cc2)cc1 1862616722 DCGOHLFWFSAEKJ-JOCHJYFZSA-N 437.967 6.158 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CC)cc1 1862624346 WOFJXAOHZBSUPW-QHCPKHFHSA-N 435.564 5.761 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccccc1F)c1cccc2ccccc12 1862649690 DJKGAEUHSNPPKA-RUZDIDTESA-N 443.518 6.280 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccccc2F)cc1 1862661303 CYKDGOXEJKVNDR-VWLOTQADSA-N 443.518 5.770 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccccc2Cl)cc1 1862662295 WYNNVNHPGZEETP-GCJKJVERSA-N 439.939 5.221 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2cc(Cl)cc(Cl)c2)c1 1862706275 SFZKSANHYBSOGK-HXUWFJFHSA-N 448.346 5.626 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccccc3F)C2=O)cc1 1863299769 VMTYRMNSZVJOPE-KRWDZBQOSA-N 439.490 5.213 30 10 IKEE CCCC[C@@H](NC(=O)C[C@H](c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1ccccc1C#N 1866723157 BUAPSPHXRALQEK-UKILVPOCSA-N 431.580 5.373 30 10 IKEE CCc1nc(Nc2cccc(C#N)c2)cc(N2CCC[C@@H]2c2nc3ccccc3s2)n1 1868268596 PWHZLERPDBZTRZ-LJQANCHMSA-N 426.549 5.605 30 10 IKEE CC(C)(C)c1nc(Nc2ccc(C#N)cc2)cc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)n1 1868355886 QSPZICUMQPDOHQ-OAQYLSRUSA-N 447.970 5.621 30 10 IKEE C=CCc1ccccc1OC1CN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 1869906167 BSDVNGCPMLCABY-UHFFFAOYSA-N 429.360 5.356 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)c2c(F)cccc2Cl)n(-c2ccccc2Cl)n1 1870003680 FEJPMNPSAOYXNL-UHFFFAOYSA-N 446.313 5.144 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(O)cc2)c(CN2CCC(C)CC2)cc1=O 1870416640 HWPPPOSZFSIWDN-UHFFFAOYSA-N 426.601 5.183 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc(C)c2)cn1CCCOCCCC 1870619373 LVBRQGBPBYNNMA-UHFFFAOYSA-N 438.612 5.117 30 10 IKEE C=CCn1cc(OCCCCCC)c(=O)cc1CN(Cc1ccccc1)Cc1ccccc1 1870675038 XYJMTCXSWSMGBR-UHFFFAOYSA-N 444.619 6.196 30 10 IKEE C=CCOc1cn(Cc2ccccc2)c(CNc2ccc(N(CC)CC)cc2C)cc1=O 1870809371 ZGOXAZHULGDZHB-UHFFFAOYSA-N 431.580 5.228 30 10 IKEE C=CCOc1cn(CCc2ccc(OC)cc2)c(CNc2ccc(C(C)C)cc2)cc1=O 1870810755 QABVZCPXZTZNFJ-UHFFFAOYSA-N 432.564 5.400 30 10 IKEE CCCCCCCOc1cn(CCCC)c(CNc2cc(NC(C)=O)ccc2C)cc1=O 1870830553 UTBSTEUXXNTLFD-UHFFFAOYSA-N 441.616 5.877 30 10 IKEE C=CCn1cc(OCc2ccc(C(C)C)cc2)c(=O)cc1CNc1ccc(NC(C)=O)cc1 1870897685 MYEXXYYYTMLBHX-UHFFFAOYSA-N 445.563 5.307 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2)c(=O)cc1CNc1ccc(C)cc1 1870898147 HBDCZOMHXKISIZ-UHFFFAOYSA-N 432.608 6.708 30 10 IKEE C=CCn1cc(OCC2CCCCC2)c(=O)cc1CNc1ccc(N(CC)CC)cc1C 1870912959 DVOPPAXUBIDIDM-UHFFFAOYSA-N 437.628 5.760 30 10 IKEE C=CCn1cc(OCCCCOc2ccc(C)cc2)c(=O)cc1CNc1ccc(C)cc1C 1871226053 JDFCUFQMRKMJAT-UHFFFAOYSA-N 446.591 5.810 30 10 IKEE CCCCC[C@H](CC)N1COc2c(cc3c(c2C)O/C(=C\c2ccccc2Cl)C3=O)C1 1871353114 FOIAMLPGEGEFCI-FVHJOOJJSA-N 439.983 6.775 30 10 IKEE CCCCC[C@@H](CC)N1COc2c(cc3c(c2C)O/C(=C\c2ccccc2Cl)C3=O)C1 1871353115 FOIAMLPGEGEFCI-SPMKTWQFSA-N 439.983 6.775 30 10 IKEE CCc1ccc(/C=C2\Oc3c(CN4C[C@@]5(C)C[C@H]4CC(C)(C)C5)c(O)cc(C)c3C2=O)cc1 1871394115 FBXVYRZQUUWPSF-MQQUDRMQSA-N 445.603 6.280 30 10 IKEE Cc1cccc(OCCCCOc2cc(C)c3c(c2)O/C(=C\c2sccc2C)C3=O)c1 1871403090 FAMOSTZRADGQCI-KQWNVCNZSA-N 434.557 6.528 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2sccc2C)C3=O)cc1 1871405564 GEMPNTOMKOWGCU-PJMHOZITSA-N 435.501 5.087 30 10 IKEE Cc1ccc(OCCOc2cc(C)c3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1 1871406594 RVNIOEWOYWEQNE-UCQKPKSFSA-N 431.444 5.286 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871408020 ORRIEEMIBYQCGI-PGECNJAHSA-N 431.463 5.465 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871410553 DNTQSAWEQHZJGY-HZRSJKMUSA-N 445.490 5.719 30 10 IKEE Cc1cc(OCC(=O)NCc2ccco2)cc2c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O2 1871442042 XBZBWGZGJCABMC-QRVIBDJDSA-N 445.515 5.197 30 10 IKEE CCc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 1871453960 APSVIYNPJZSCGA-QRVIBDJDSA-N 431.463 5.330 30 10 IKEE COc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc1 1872776199 KNHMEIFZMZXUHL-JOCHJYFZSA-N 434.561 5.978 30 10 IKEE CCc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)cc1 1872778974 YNGUGTQJJRFJEZ-QFIPXVFZSA-N 448.588 6.033 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@H](C#N)C(=O)Cc2cccc3ccccc23)n1 1872780711 LLUANHDHWBFPIG-JOCHJYFZSA-N 426.541 6.008 30 10 IKEE CC(=O)Oc1cccc(C(=O)[C@H](C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)c1 1872785022 CPSGNYGAYAAUGO-NRFANRHFSA-N 432.545 5.831 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc(COc2ccc(-c3ccccc3)cc2)cc1 1872858587 ONRFUVRRWGCKSG-UHFFFAOYSA-N 443.631 7.803 30 10 IKEE Cc1nc(SCc2cccc(C(=O)NCc3ccccc3Cl)c2)c(C#N)c(C)c1C 1872893052 FEGMMOWQAGVWQG-UHFFFAOYSA-N 435.980 5.754 30 10 IKEE N#Cc1nc(-c2ccccc2)oc1N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 1873471315 ZDLTXUNZCQPUEY-JFLMPSFJSA-N 428.879 5.892 30 10 IKEE CCCc1nnc(SCc2ccccc2)n1/N=C/c1ccc(-c2ccccc2Cl)o1 1873501318 PJCOHZZYYKBCFO-MFKUBSTISA-N 436.968 6.319 30 10 IKEE CCCOc1cccc(/C=N/n2c(CCCOc3ccc(Cl)cc3)nnc2SC)c1 1874212315 GYTGXOKHAWUXSY-LFVJCYFKSA-N 444.988 5.336 30 10 IKEE CCOc1ccccc1OCc1nnc(SCC)n1/N=C/c1ccccc1OC(C)C 1874240881 DICMDIBKZRJVNH-BUVRLJJBSA-N 440.569 5.037 30 10 IKEE CCCOc1ccccc1/C=N/n1c(Cc2cccc3ccccc23)nnc1SCCC 1874271298 OKAZDNMHPSHJEJ-ZXVVBBHZSA-N 444.604 6.195 30 10 IKEE Cc1cccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2cccs2)c1C 1874323312 JCLREJMGXLGUFW-ZVHZXABRSA-N 434.590 5.710 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2/N=C/c2ccccc2)cc1 1874390775 DXQNJDUCMSBYJY-WGOQTCKBSA-N 432.980 6.005 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2)n1/N=C/c1ccc(OCC)c(OC)c1 1874402912 ORUMGQCLORUCEG-PCLIKHOPSA-N 436.581 5.021 30 10 IKEE COc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccccc2)cc1 1874403290 YHQCQIFAPMZPDG-NLRVBDNBSA-N 428.561 5.246 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccccc2)c1 1874427180 UVULEEBPWJZBNA-BUVRLJJBSA-N 429.505 5.336 30 10 IKEE COc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SCCc2ccccc2)c1OC 1874439522 GJGRXKXNYAVIKU-KOEQRZSOSA-N 438.597 5.101 30 10 IKEE Clc1cccc(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2ccccc2Cl)c1 1874450386 AILQFWXXVFYCCO-KCDOPAPYSA-N 433.364 5.611 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C(F)(F)F)c1 1874463720 YHRZKDWGKXTNOF-PGGKNCGUSA-N 428.842 5.572 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1ccccc1OCCC 1874478712 NXOBWZKMULVIRS-YZSQISJMSA-N 436.625 6.201 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2C2CCC2)cc1 1874493854 IBTSDAVZFUJZLJ-OVVQPSECSA-N 448.636 6.598 30 10 IKEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3cccc(C)c3C)nnc2C2CCC2)c1 1874494648 BZQFZEDPJHMERR-AFUMVMLFSA-N 433.581 5.084 30 10 IKEE CCCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1/N=C/c1ccc(CC)cc1 1874507108 LXGZPSNWBWFHKM-MFKUBSTISA-N 435.597 5.023 30 10 IKEE Cc1ccccc1CSc1nnc(C2CC2)n1/N=C/c1cc(Br)ccc1O 1874516229 MSIMNFIWHUWMED-SSDVNMTOSA-N 443.370 5.107 30 10 IKEE O=[N+]([O-])c1cccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CC2)c1 1874520916 RNGQOIWOLQRMRB-ZVHZXABRSA-N 429.505 5.391 30 10 IKEE COc1ccccc1CCc1nnc(S)n1/N=C/c1cccc(Oc2ccccc2)c1 1874564318 ZEILARKYWVXQCP-KOEQRZSOSA-N 430.533 5.035 30 10 IKEE CCCCOc1ccc(/C=N/n2c(S)nnc2CCCOc2ccc(Cl)cc2)cc1 1874570005 KVLNIVQATXUALM-LFVJCYFKSA-N 444.988 5.293 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCc2ccc(Cl)cc2)c1 1874572681 ZXPYCYXXXMTYGX-DHZHZOJOSA-N 443.326 6.486 30 10 IKEE CCOc1c(Br)cc(Br)cc1/C=C/C(=O)c1ccc(OC)cc1 1874575165 ZCFIYXQEAZJVDH-RMKNXTFCSA-N 440.131 5.515 30 10 IKEE COC(=O)c1ccc(COc2ccc(Cl)cc2/C=C/C(=O)c2cccc(Cl)c2)o1 1874577245 FCOZZUJTQNUCGN-VMPITWQZSA-N 431.271 5.848 30 10 IKEE COc1cccc(/C=C/C(=O)c2cccc(Cl)c2)c1OCc1ccc(Cl)cc1Cl 1874577338 JHWCTQATCNPVOY-PKNBQFBNSA-N 447.745 7.131 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(Cl)ccc1OCC(=O)NCc1ccccc1 1874581354 JOMKJUVQMLFTPO-PKNBQFBNSA-N 449.934 5.248 30 10 IKEE Cc1ccc(C)c(COc2ccc(Br)cc2/C=C/C(=O)c2ccc(C)c(C)c2)c1 1874588170 DDGUJMORBJKJKP-PKNBQFBNSA-N 449.388 7.158 30 10 IKEE Cc1ccc(C(=O)/C=C/c2c(OCc3cccc4ccccc34)ccc3ccccc23)cc1C 1874588586 UMPSMZKUOBKLNQ-ISLYRVAYSA-N 442.558 8.085 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OCC(=O)Nc1ccc(CC)cc1 1874614458 HPPKZVKQUNUZIS-FOWTUZBSSA-N 429.516 5.561 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 1874614704 PMGOZGMUVXZFHC-SDNWHVSQSA-N 429.516 5.616 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(OC)c1OCc1cccc(C)c1 1874621078 IUDBQHNGUVJJTN-VQHVLOKHSA-N 432.472 5.216 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(F)cc1 1874625604 MYBVPBVABSGFQU-QLKAYGNNSA-N 437.442 5.277 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)OC)c(Cl)c2)cc1 1874625799 WMVXMZMNRIQJPD-RIYZIHGNSA-N 444.955 6.137 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)ccc1OCc1ccccc1C 1874635972 CKAORFUEDKVFHU-FMIVXFBMSA-N 436.935 6.531 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4ccccc4c3)cc2)cc1[N+](=O)[O-] 1875096664 YPVDHDBWFBIMPL-OQLLNIDSSA-N 437.451 6.172 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(Br)c3)cc2)cc1 1875103932 XQDCXZISKSPPME-XNTDXEJSSA-N 435.317 6.127 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2Cl)cc1 1875116917 ZHMUWJRVIPDARP-WUXMJOGZSA-N 435.863 5.601 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 1875117952 KQEXWKIUJJCOLX-MDWZMJQESA-N 427.283 6.117 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OC(=O)c1ccc(F)c(F)c1 1875127097 OFLRCLSEFHIYFZ-DHZHZOJOSA-N 442.845 6.132 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)c1ccc2nc(C)c(C)nc2c1 1875129108 LKFVRQMLXFIJEG-UKTHLTGXSA-N 438.483 5.371 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1ccc(N(C)C)cc1 1875142450 DJWVOKCNJCLIKJ-WLRTZDKTSA-N 433.479 5.324 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)CCCCCC 1875163426 KLWLQUCQXWXMNG-SDNWHVSQSA-N 442.502 6.474 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)ccc1OC(=O)C1CCCC1 1875181838 ZOSJNCSYWJPBOQ-CSKARUKUSA-N 428.912 5.657 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(Cc4ccccc4)cc3)ccc21 1891196467 SSMBXFBCVZGDPP-UHFFFAOYSA-N 440.543 5.467 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CC[C@H](CCNC(=O)OC(C)(C)C)C(C)(C)C)NC 1922065141 KOPOHAIDFSIYCS-DHIUTWEWSA-N 432.649 5.705 30 10 IKEE C=C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)(c1ccccc1)[C@H](CC)C(=O)O 1927430497 ZZWDVPZEEQFBKL-NAKRPHOHSA-N 441.527 5.717 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)C1CCCCC1)C2 1997329418 BNSSWJJAOLGBCS-HROJSSOGSA-N 433.593 5.380 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1C[C@H]2C[C@H]1CN(C(=O)OC(C)(C)C)C2 1998007729 UQBCSCUNDAEKMW-SBFWRKJZSA-N 428.617 5.021 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@@H](C#N)[C@@]1(C)CCCN1C(=O)OC(C)(C)C 2020804414 OVSNYZMMPBOTHH-FDDCHVKYSA-N 449.979 5.763 30 10 IKEE CCc1cc(Br)c([C@H](C#N)N(C[C@H]2CCCO2)C(=O)OC(C)(C)C)s1 2029268425 SJPMCESAMRHWPL-DOMZBBRYSA-N 429.380 5.054 30 10 IKEE CC(C)(C)OC(=O)NC1CCC2(CC1)CC(C#N)(N(C(=O)OC(C)(C)C)C1CCCC1)C2 2056616328 FCRMGOKNTZLXJL-UHFFFAOYSA-N 447.620 5.676 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCN(C(=O)OC(C)(C)C)C23CC3)c1 2070830232 SAWJCDLNUYXWKQ-RUZDIDTESA-N 441.572 5.562 30 10 IKEE C#CCCCCC(=O)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071343899 IBWCOKPMWCVVHC-MUUNZHRXSA-N 428.528 5.641 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 2074137379 ADUUIEZKSDBQBP-DFBJGRDBSA-N 449.636 6.018 30 10 IKEE CC(C)c1nn(Cc2ccc(F)cc2C(F)(F)F)c(C(F)(F)F)c1Br 2079040619 NEXFNAHDKNJZSZ-UHFFFAOYSA-N 433.165 5.994 30 10 IKEE CCc1ccc([C@@H](n2nc(C3CC3)c(/C=N/O)c2I)C2(C)CC2)cc1 2079080983 AYUIEGKZQDJJSQ-FNLSEGDXSA-N 449.336 5.125 30 10 IKEE CC1(c2nn(Cc3c(F)cccc3C(F)(F)F)c(Br)c2C(F)(F)F)CC1 2079827746 VXUVKFXYZIOJRH-UHFFFAOYSA-N 445.176 5.922 30 10 IKEE CC[C@@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)(F)F)c(CO)c1Br 2079981616 QEOKQPKJUYZAAI-NSHDSACASA-N 449.164 5.314 30 10 IKEE C=CCC[C@H](C)[C@H](NCCC)[C@H](O)c1scc(Br)c1Br 2158324322 PBIAAPPWGIWONG-BPNCWPANSA-N 425.230 5.277 30 10 IKEE C[C@H](Nc1cc(Br)c(C#N)cc1F)c1ccc(NC(=O)OC(C)(C)C)cc1 2162350848 SJJJFPBBWSTFSA-LBPRGKRZSA-N 434.309 5.980 30 10 IKEE C#CCCN(CC(C)(C)C)C(=O)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2180047603 KNKNSXLITQBLCI-UHFFFAOYSA-N 437.378 5.308 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](CC[C@@H](O)C#Cc2ccccc2Br)C1 2235729355 IYSWEOSPNCENCO-BHIYHBOVSA-N 436.390 5.025 30 10 IKEE CC1(C)OB(C2=CCC[C@H]2NC(=O)OCC2c3ccccc3-c3ccccc32)OC1(C)C 2241554237 AIAJDUGSKIGRMF-HSZRJFAPSA-N 431.341 5.245 30 10 IKEE CN[C@H](C#CC1CCCCC1)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2260990361 PKZKJHPGYMPAFJ-SQHAQQRYSA-N 440.628 5.002 30 10 IKEE C=C(COCc1ccccc1)[C@@]1(OCCCN)CCC(C)(C)C[C@@H]1OCc1ccccc1 2263027692 JLVCAVNNJVHTPE-XCZPVHLTSA-N 437.624 5.659 30 10 IKEE Cc1ccc2nc(N3C(=O)C(=O)C(=C(O)c4ccccc4)[C@H]3c3ccc(F)cc3)sc2c1 2296099264 XXNYGLZRWUNMGI-OAQYLSRUSA-N 444.487 5.370 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)CCCN(CC)C(=O)OC(C)(C)C 2296265738 AIUNWPIDNYQVGO-FQEVSTJZSA-N 437.422 5.206 30 10 IKEE CC(C)(C)OC(=O)N[C@H](C[C@H](O)C#Cc1ccc(Br)cc1)C1CCCCC1 2296292448 YLWIYPGJYRBPTK-WOJBJXKFSA-N 436.390 5.025 30 10 IKEE COc1cc(C=C2Oc3cc(OCc4ccccc4C)ccc3C2=O)cc(OC)c1OC 2296867553 XOYQHHBRTNBRKN-UHFFFAOYSA-N 432.472 5.216 30 10 IKEE Cc1nc(N2C(=O)C(=O)C(=C(O)c3cccs3)[C@@H]2c2cccc(Cl)c2)sc1C 2297057282 WXJIVONQSKYAPY-INIZCTEOSA-N 430.938 5.101 30 10 IKEE CCOc1ccc(N=C2SC(=Cc3ccc(OCC)cc3OCC)C(=O)N2CC)cc1 2297462048 WXWAAZQLYYRCHU-UHFFFAOYSA-N 440.565 5.507 30 10 IKEE O=C(C=CC=Cc1ccccc1)C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21 2297604996 IHJRFJPQJFYAPL-MHZLTWQESA-N 443.930 5.303 30 10 IKEE CCCCCCN1C(=O)C(=O)C(=C(O)c2ccccc2)[C@@H]1c1ccc(Br)cc1 2297741357 DAAUOTKSHYACPX-FQEVSTJZSA-N 442.353 5.451 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@H](C#N)[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 2321298725 VYKSGJVAPBDTGP-RTBURBONSA-N 445.535 5.249 30 10 IKEE Cc1c(OCc2ccc(F)cc2Cl)ccc2c1OC(=Cc1ccc(Cl)cc1)C2=O 2321863014 NBHAWVRZHDZITD-UHFFFAOYSA-N 429.274 6.636 30 10 IKEE Cc1ccc(C)c(CN2COc3ccc4c(c3C2)OC(=Cc2cccc(Cl)c2)C4=O)c1 2322170924 OORUCAZGMRECHU-UHFFFAOYSA-N 431.919 5.925 30 10 IKEE COC(=O)c1ccc(COc2c(C=CC(=O)c3ccc4c(c3)CCCC4)cccc2OC)o1 2322339149 OTZILXMHLTULEN-UHFFFAOYSA-N 446.499 5.429 30 10 IKEE COc1cc(Br)cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)c1OCCO 2322585904 YTVMCZXNHDNBCZ-UHFFFAOYSA-N 446.124 5.032 30 10 IKEE Cc1cc(OC(=O)c2ccccc2F)cc2c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O2 2322799012 WKIPUUHBKPTALE-UHFFFAOYSA-N 430.475 6.267 30 10 IKEE CCn1cc(C=C2Oc3cc(OC(=O)C=Cc4ccco4)ccc3C2=O)c2ccccc21 2323163437 KXAAASOVBIVMTR-UHFFFAOYSA-N 425.440 5.489 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])ccc2C1=O 2323282895 CKLZPJUJLCORPA-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc1OCc1cccc(C)c1 2323288892 SEGQQXOQLNZINY-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)C=Cc1ccc(Cl)cc1Cl 2323310710 HDBKXAMVHYGKBJ-OAQYLSRUSA-N 441.443 6.158 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)ccc1OCC(=O)Nc1nccs1 2323481497 GNLJHVZUVYIRCN-UHFFFAOYSA-N 436.533 5.018 30 10 IKEE COc1ccc(OC)c(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2F)C3=O)c1 2323486997 ZDADTDDWUVAHSP-UHFFFAOYSA-N 446.430 5.078 30 10 IKEE Cc1c(OC(=O)COc2ccc(Cl)cc2)ccc2c1OC(=CC=Cc1ccccc1)C2=O 2323536277 GBYUMKQBKMVPDG-UHFFFAOYSA-N 446.886 5.805 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCC)NC(=O)C=Cc1ccc(Cl)c(Cl)c1 2323621440 SYLAVIWEMCSDNO-HXUWFJFHSA-N 427.416 5.768 30 10 IKEE C=CCOc1ccc(C=CC(=O)c2ccc(OCCC)c(OCCC)c2)cc1[N+](=O)[O-] 2323745299 SMWDUMSGSVBQNX-UHFFFAOYSA-N 425.481 5.633 30 10 IKEE CCOc1cc(C=NNc2nc(-c3cccs3)cs2)cc(Br)c1OC 2323854641 HGJFTOQOUCBXJO-UHFFFAOYSA-N 438.372 5.487 30 10 IKEE C[C@H]1C[C@H](C)CN(Cc2c(O)ccc3c2OC(=Cc2ccccc2Br)C3=O)C1 2324054869 ABRQEYRUUAWLEP-GJZGRUSLSA-N 442.353 5.249 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)cc1F 2324107525 USHROEKBWBORTR-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OCC(N)=O)c(OCC)c2)cc1 2324210134 JJVROJLTANLYBB-UHFFFAOYSA-N 439.552 5.195 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Cl)c1OCc1ccccc1C 2324234632 FHSBRLCTHHOFJY-UHFFFAOYSA-N 428.862 6.410 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3)cc2)c1 2324385865 DQLBDJKXKWSRJN-UHFFFAOYSA-N 445.515 5.398 30 10 IKEE CCOc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccccc3OC)cs2)cc1OC 2324455786 YCGQNXHPRBNEJG-GOSISDBHSA-N 434.517 5.116 30 10 IKEE Cc1cccc(OCCCOc2cc(C)c3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)c1 2324567867 WPYGDAFAYICIBY-UHFFFAOYSA-N 442.555 6.891 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OCCOc3cccc4ccccc34)c2C)C1=O 2324694006 WXQNVMDPUGVTEK-UHFFFAOYSA-N 436.507 6.531 30 10 IKEE COC(=O)c1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)cc1 2324706574 CTYMSZVODMZPSY-HXUWFJFHSA-N 446.528 5.112 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@H](C#N)C(=O)C=Cc2ccc(F)cc2)n1 2324774126 VWKLQKWVMMEPBO-QGZVFWFLSA-N 426.900 5.809 30 10 IKEE CCCC[C@H](Oc1cc(C)c2c(c1)OC(=Cc1ccccc1Br)C2=O)C(=O)O 2324781232 VUWVBOHPRGQKDP-KRWDZBQOSA-N 445.309 5.396 30 10 IKEE CCCOC(=O)[C@H](CC)Oc1ccc2c(c1C)OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2325086523 WPQVBWZFQRAKAO-NRFANRHFSA-N 436.548 6.019 30 10 IKEE COc1ccc2ccccc2c1C=Nn1cnnc1SCc1ccc(Cl)c(Cl)c1 2325669081 WWZKHKICQDWXAX-UHFFFAOYSA-N 443.359 5.921 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1OC(=O)c1ccc(Cl)cc1 2325690386 XYQICILCNNNNKF-UHFFFAOYSA-N 442.898 6.617 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1OC(=O)c1ccco1 2325715479 ZZZSSTMWHOZMKU-UHFFFAOYSA-N 427.250 5.166 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(Cl)cc4C)cc(C)c3C2=O)cc1 2325716458 AOBKPYXLYYKSBW-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)c1 2325743587 WOVIHPIIBCMJJP-FGZHOGPDSA-N 446.930 6.262 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OC(=O)c1ccc(F)c(F)c1 2325764365 YKYDDAKQHBMCGJ-UHFFFAOYSA-N 436.454 6.014 30 10 IKEE COc1cc(C=Nn2cnnc2SCc2ccccc2)ccc1OCc1ccc(C)cc1 2326202930 WTTBXUCLBMGVSP-UHFFFAOYSA-N 444.560 5.349 30 10 IKEE CCCCc1nnc(SCc2ccc(Br)cc2)n1N=Cc1cccc(F)c1 2326622200 ADDFIJSUNKAYGQ-UHFFFAOYSA-N 447.377 5.697 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc(O)c(Cl)c1 2326697874 ULCZYRBVZBRCCN-UHFFFAOYSA-N 427.744 5.427 30 10 IKEE CCSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1cccc2ccccc12 2327176576 PIGWVKDQNAPKPN-UHFFFAOYSA-N 430.577 5.746 30 10 IKEE Oc1ccccc1C=Nn1c(SCc2cccc(Cl)c2)nnc1-c1cccs1 2330603523 CGKJDRGXKJWAGZ-UHFFFAOYSA-N 426.954 5.540 30 10 IKEE Fc1ccccc1C=Nn1c(SCc2c(F)cccc2Cl)nnc1-c1cccs1 2330621572 ZFTSLDDPYICTDZ-UHFFFAOYSA-N 446.935 6.113 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2ccc(N(C)C)cc2)cc1 2330625040 LMMZEUJLOFATBV-UHFFFAOYSA-N 427.577 5.494 30 10 IKEE O=C(Cc1ccccc1F)Oc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1Cl 2330682872 SKBCYMQDJARFKQ-UHFFFAOYSA-N 448.921 6.402 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OC(=O)CCCC 2330701161 MTUGLDDDRKBGPD-UHFFFAOYSA-N 432.560 6.294 30 10 IKEE Cc1ccccc1C=Nn1c(CC(C)(C)C)nnc1SCC(=O)Nc1c(C)cccc1C 2330833644 BEDXKYUFULDAFU-UHFFFAOYSA-N 449.624 5.405 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3ccccc3)c(OC)c2)cc1 2330990113 JVGIFNCLAUKVMF-UHFFFAOYSA-N 446.499 5.365 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)Cc1ccccc1Cl 2331080333 IHSNCQRKXGTXMU-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3cccc(Cl)c3)cc2Cl)c1 2331122907 CHKLNKRELJOOQS-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE CCCCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccc(C)cc2C)cc1OC 2331230100 PJNDQPDQCUTENP-UHFFFAOYSA-N 445.353 6.066 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)c1cncc(C)c1 2331312698 PBKZZYVXDULHFD-UHFFFAOYSA-N 435.907 5.784 30 10 IKEE C=CCSc1nnc(CCCC)n1N=Cc1ccc(OCc2ccccc2)c(OC)c1 2331342554 IKTDCNLJKNPOKM-UHFFFAOYSA-N 436.581 5.369 30 10 IKEE Cc1ccsc1C=Nn1c(SCc2ccc(Cl)cc2Cl)nnc1C(C)(C)C 2331411980 YPXYTPAUMDCUSW-UHFFFAOYSA-N 439.437 6.427 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(C2CCC2)n1N=Cc1c[nH]c2ccccc12 2331547813 ZQGOGCYJYZLKBJ-UHFFFAOYSA-N 439.947 5.994 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1C 2331705806 OCJNVYPSFOJQKS-UHFFFAOYSA-N 425.311 6.726 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2N=Cc2ccc(C(C)C)cc2)cc1 2331734048 ZFJDLSWIXQEIOV-UHFFFAOYSA-N 433.581 5.200 30 10 IKEE CC#CCN(C[C@H](NCCC)c1ccc(Cl)cc1Br)C(=O)OC(C)(C)C 2337906847 KDSNZMTVOWDHBH-SFHVURJKSA-N 443.813 5.404 30 10 IKEE CC#CCN(C[C@H](NCCC)c1sc(C)c(C)c1Br)C(=O)OC(C)(C)C 2337914725 CSOZDZAMZFHIQO-INIZCTEOSA-N 443.451 5.429 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccc(C(C)(C)C)cc1 14101695 GLHJKKAKPOKVRM-UHFFFAOYSA-N 441.000 5.813 30 10 IKEE Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 20882987 XGJRNUDSLSFWRZ-SIBVEZHUSA-N 425.488 5.883 30 10 IKEE O=C1C[C@@H](c2ccccc2Cl)CC2=C1[C@@H](c1cccc(Cl)c1)Nc1ccccc1N2 21242611 DPTRDXSDSABZCV-IVCQMTBJSA-N 435.354 6.973 30 10 IKEE CC(C)(C)c1cc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)n(-c2ccc(C#N)cc2)n1 23428656 YTCYMPAIYSMOEW-UHFFFAOYSA-N 430.405 5.452 30 10 IKEE CC(C)(C)[C@H]1CCc2nc(SC/C=C/c3ccccc3)c(C#N)c(C(F)(F)F)c2C1 27751140 MREORCRZXXGOLC-JEJOPICUSA-N 430.539 6.929 30 10 IKEE N#Cc1c(SCc2ccc(Cl)cc2)nc2c(c1-c1ccco1)CC/C2=C/c1ccco1 32625332 DLWZBEVNZKGYDE-LGMDPLHJSA-N 444.943 7.239 30 10 IKEE COc1ccc(/C=C\C(=O)c2ccc(NC(=O)c3ccccc3Br)cc2)cc1 33417744 WTLMGGXNHSLHJD-NVNXTCNLSA-N 436.305 5.606 30 10 IKEE C=CCOc1ccccc1/C=C1\S/C(=N/c2nc(C)cs2)N(C2CCCCC2)C1=O 39865574 OFUNPTFAODHRAK-QJYUKRAPSA-N 439.606 5.953 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O3)CN(Cc1cccs1)CO2 41648209 DWZASNQBZFNBDJ-QRVIBDJDSA-N 445.584 6.322 30 10 IKEE C=CCN1C(=S)N[C@H](c2ccc(C(F)(F)F)cc2)C(C(=O)Nc2ccccc2C)=C1C 96278254 CKFDOFQBRZLEMP-HXUWFJFHSA-N 445.510 5.344 30 10 IKEE Cc1ccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N/c3ccc(Cl)c(Cl)c3)S2)c(C)c1 100262700 PCWHAXHRRKPYKP-HLGQQVFSSA-N 436.364 5.200 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1ccccc1OCCCC 100443931 XNAKGOJXUKVZMG-UHFFFAOYSA-N 434.690 7.380 30 10 IKEE CCCCCCCCCn1c([C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)nc2ccccc21 101324397 TUOASWLELDHGKN-HXUWFJFHSA-N 438.015 6.961 30 10 IKEE N#Cc1cc(Cl)ccc1Oc1c(Br)cc([N+](=O)[O-])cc1Br 110262973 OCNZTPIPDNMJNE-UHFFFAOYSA-N 432.455 5.437 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)c(Br)c2)c(C)c2cc(C(C)C)ccc21 169870240 OGHVCFXEPXCSBE-UHFFFAOYSA-N 425.370 6.582 30 10 IKEE CCOc1cc(/C=N\n2c(CC)nnc2SC)ccc1OCc1cccc(Cl)c1 169915233 JDKQLFARXDSWGQ-QRVIBDJDSA-N 430.961 5.076 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2ccc(C)cc2C)cc1 169925579 VCZPNIFGPXBKDT-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2cc(C)ccc2C)=C(O)C(=O)N1Cc1cccs1 169939571 QHACWEDKEZAQQU-QFIPXVFZSA-N 433.529 5.152 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2cccs2)ccc1F 169982210 DTOKZLIHDDNPCE-OAQYLSRUSA-N 436.508 5.045 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccccc2C)c1 170086706 REEWSIKVFQFWDY-HSZRJFAPSA-N 447.918 5.830 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1c1ccccc1 170122417 FXELSUMJOJFNIF-VWLOTQADSA-N 439.511 5.357 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)c(Cl)c2)[C@@H]1c1cccs1 170165249 HUXYXQBUAZXGHL-HNNXBMFYSA-N 426.321 5.052 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccncc2)c1 170197931 UMSDZRZLTQPXEU-XMMPIXPASA-N 436.467 5.026 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccncc2)ccc1OCC(C)C 170209477 YPTYMMFENBLELK-XMMPIXPASA-N 448.563 5.336 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@@H]1c1ccccc1 170225901 IQELDPALYXBMAS-XMMPIXPASA-N 427.500 5.403 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(Cl)cc1 170235269 NBCQKKXUGBFYNM-JOCHJYFZSA-N 449.890 5.140 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(C(C)C)cc1 170245857 AMKBWPQSVODDSO-JOCHJYFZSA-N 425.956 6.232 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccco2)ccc1Cl 170290024 BDBSVFOSFXTZGU-NRFANRHFSA-N 437.879 5.423 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@@H]3c3sccc3C)oc12 170316422 ZOCYVJSNFQNFSJ-IBGZPJMESA-N 449.484 5.183 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1sccc1C 170318693 VVOQTDKGNYGHFJ-INIZCTEOSA-N 434.355 5.197 30 10 IKEE COc1ccc(/C=C2/S/C(=N/N=C/c3ccccc3C)N(Cc3ccco3)C2=O)cc1 210608590 INMRLSCSOQEVFM-WTGMLGSZSA-N 431.517 5.103 30 10 IKEE CCCCCCCCCCCCOC(=O)/C=C\c1ccc(C=Nc2ccc(O)cc2)cc1 254348196 AYHIVNPGXMQGOA-XQYDASTNSA-N 435.608 7.620 30 10 IKEE COc1ccc(-c2sc(N=Cc3ccc(N(C)CCC#N)cc3)c(C#N)c2C)cc1OC 254735743 UZBOQGXUHIEDSC-UHFFFAOYSA-N 444.560 5.713 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(C(C)(C)C)cc2)c1 526606742 ODNHOIUUHFVGQN-VWLOTQADSA-N 438.527 5.922 30 10 IKEE CCCOc1cccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2C#N)c1 526607741 VFMWMVSQQRLPBW-XMMPIXPASA-N 428.463 5.543 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1cccc(OCC(C)C)c1 526802786 MXYMLGGSUSLGBT-YSMPRRRNSA-N 440.588 5.969 30 10 IKEE CCCCOc1ccc(/C=N\n2c(C)nnc2SCc2cccc(C)c2)cc1OCC 526808027 MXJFVPRGNUPPSV-XYGWBWBKSA-N 438.597 5.647 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1ccc(N(CC)CC)cc1 526809189 GRWDHHZJWMXBDR-ONUIUJJFSA-N 435.641 5.868 30 10 IKEE CCCCCCCOc1ccccc1/C=N\n1cnnc1SCc1cc(C)cc(C)c1 526810092 WXIKXBXBBNLQGT-PKAZHMFMSA-N 436.625 6.419 30 10 IKEE COc1cc(/C=N\n2c(C)nnc2SCc2cccc(Cl)c2)ccc1OC(C)C 526812186 IDDQFABSCNWARJ-FMCGGJTJSA-N 430.961 5.210 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@](C)(C#N)COCc1ccccc1 698456270 MXRSSXAXEIGJPG-QFIPXVFZSA-N 445.357 5.690 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 698481835 ABLXAZYAARKLTE-HOYKHHGWSA-N 429.561 5.418 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@H](C#N)c1cscc1Br 698898728 BCESEXHPSOORBC-OAHLLOKOSA-N 427.751 6.170 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@H](NC(=O)OC(C)(C)C)C1 724027656 JKMYHYFMTVQRLM-MHECFPHRSA-N 429.561 5.466 30 10 IKEE C=CC(=C)CC[C@H]1[C@](C)(O)CC[C@H]2[C@@](C)(OC(=O)/C=C/c3ccc(O)cc3)CCC[C@@]21C 725432033 SBUYGPWQNKTLNC-MDQJONQISA-N 438.608 6.197 30 10 IKEE CC/C(=N\OCc1cc(=O)c(OCc2ccccc2)cn1C)c1ccc2c(c1)CCCC2 821219724 RFPQNOZAQFLOIH-AZPGRJICSA-N 430.548 5.174 30 10 IKEE CSc1nc2ccc(N=Cc3cc(I)ccc3O)cc2s1 1083986937 GWFKZUZCKQESSP-UHFFFAOYSA-N 426.304 5.079 30 10 IKEE C=CCc1cc(/C=C2\S/C(=N\C)N(C)C2=O)cc(OCC)c1OCc1cccc(C)c1 1084615433 XDXBQOFZMINSAR-GZAOZUBMSA-N 436.577 5.233 30 10 IKEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc3oc(O)nc3c2)cc1Cl 1622897488 FUAVVFUICOAGRY-SFHVURJKSA-N 432.867 5.164 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=Nc1ccc(C)cc1 1772724696 XVKXKOXASBFXHT-LAJNNLEESA-N 445.500 5.953 30 10 IKEE Cc1ccc(COc2ccc(/C=C3\SC(=Nc4nc(C)cs4)N(C)C3=O)cc2)cc1 1772733623 KVBPSJQNXOXBBV-OBBBTXPFSA-N 435.574 5.573 30 10 IKEE S=C(N/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1)Nc1cccc2ccccc12 1857811483 ROAQOXHJPHJWPZ-VEILYXNESA-N 447.567 6.013 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](C)NC(=O)Cc1cc(Cl)ccc1SC 1860973169 RDSFJAUOOOSKFQ-KRWDZBQOSA-N 427.054 5.366 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCC)NC(=O)C(C)(C)Oc1ccc(Cl)cc1 1861463556 XXQAEICNDYPKFY-HXUWFJFHSA-N 425.013 5.259 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)[C@@H](C)Oc1ccccc1C(C)C 1861653082 LACOXDNZWHBRGY-VWNXMTODSA-N 446.676 6.119 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1c(F)cccc1Cl 1861841419 POMZGXLFDQQHAN-NRFANRHFSA-N 448.966 5.003 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(C(=O)O)cc1 1862384593 VVVJRGJRKVAOFH-ZMZPIMSZSA-N 448.302 5.068 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2[C@H](C)CC)cc1 1862385266 LAOHUDNQFLWLDH-XCLFUZPHSA-N 432.347 5.933 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CCCCCCC2)c1 1862412086 WLIJSEVPKNTTBK-HSZRJFAPSA-N 439.502 5.964 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCc2ccc(F)cc2)c1 1862442616 TWJQYSZHJUBZKI-HSZRJFAPSA-N 449.909 5.609 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2C2CCCCC2)c1 1862458461 NSWDSAAVXLBNGE-OAQYLSRUSA-N 445.437 5.024 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccccc2F)cc1 1862507641 QEXXJKIMNRCTCF-QHCPKHFHSA-N 449.453 5.060 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@H]2c2ccccc2C)cc1 1862532669 IRHBQDOVAHMPBC-VWLOTQADSA-N 441.527 5.215 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccccc1 1862544126 WXZSOGVZIQKROR-FMNCTDSISA-N 429.560 5.722 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862560124 FNOVICVHJCWLIE-VWLOTQADSA-N 440.543 5.479 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1c(F)cccc1Cl 1862562087 XJQKEWSLSIINIJ-HXUWFJFHSA-N 430.907 5.220 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(Cl)cc1 1862591990 SNYJOLWGKYJQMQ-XWRIVVANSA-N 425.912 5.203 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(F)cc1F 1862615432 KMOVPRPUSYNHQY-SPLOXXLWSA-N 427.491 5.639 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1F 1862644420 KOOJDQSOJNCBLB-NRFANRHFSA-N 425.500 5.119 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccccc2F)cc1 1862662134 IIDYLKAPIYOGCP-DEOSSOPVSA-N 435.539 6.250 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2F)cc1 1862663349 SGBALFGZYJPRGO-QHCPKHFHSA-N 430.479 5.123 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862668238 UIXWFSJMAJVSBP-FQEVSTJZSA-N 432.347 6.105 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2cccc(F)c2)c1 1862702915 OYBGHNVTSLBRHX-QHCPKHFHSA-N 437.511 5.526 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1c(Cl)cccc1Cl 1862705575 BIEZUHVCKKNHJI-HXUWFJFHSA-N 448.346 5.771 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccccc1F 1862724798 UEFPQKFKRDAQQV-DEOSSOPVSA-N 445.490 5.108 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(C34CC5CC(CC(C5)C3)C4)C2=O)cc1 1863270218 JALLMTKAURTXMZ-UHFFFAOYSA-N 437.543 5.028 30 10 IKEE CCCCCCCCCCNC(=O)C[C@H](c1ccccc1)c1ccc(OC)c(Cl)c1 1868197028 RMXZNTGBVTZQIU-HSZRJFAPSA-N 430.032 7.128 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC(N3CCCCCC3)CC2)nc(-c2ccccc2C)n1 1869150144 NCUVZZXXCUZZTC-UHFFFAOYSA-N 445.655 5.475 30 10 IKEE N#Cc1nnn(-c2ccc(C(F)(F)F)cc2)c1NC(=O)c1cccc(Oc2ccccc2)c1 1870153821 IBTCRPVJBXDNKR-UHFFFAOYSA-N 449.392 5.202 30 10 IKEE Cc1cc(-n2nnc(C#N)c2NC(=O)c2c(Cl)ccc(Cl)c2Cl)ccc1Cl 1870154517 WDOUVKHOBJMHND-UHFFFAOYSA-N 441.105 5.313 30 10 IKEE CCCCCCCCCCn1cc(OCCCCC)c(=O)cc1CSc1ccccn1 1870188990 YBCYASLYUKZVNC-UHFFFAOYSA-N 444.685 7.245 30 10 IKEE CCCCCCCOc1cn(CCc2ccccc2)c(CN2C[C@@H](C)O[C@H](C)C2)cc1=O 1870409022 ICXOMAVYOCJHNA-DHIUTWEWSA-N 440.628 5.049 30 10 IKEE CCCCCCCOc1cn(CCCCc2ccccc2)c(CN(C)CCCC)cc1=O 1870413223 WDTSVOBDVPQEJV-UHFFFAOYSA-N 440.672 6.452 30 10 IKEE CCCCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CN1C[C@@H](C)C[C@H](C)C1 1870611985 IBBKIFITTXWTPO-DQEYMECFSA-N 444.704 6.812 30 10 IKEE CCCCCCCCCCn1cc(OCc2ccc([N+](=O)[O-])cc2)c(=O)cc1CN(C)C 1870685283 LDTFXYKVRLLPCX-UHFFFAOYSA-N 443.588 5.538 30 10 IKEE C=CCn1cc(OCc2cccc(Cl)c2)c(=O)cc1CNc1ccc(C(F)(F)F)cc1 1870826945 BRRRVQZMNFBVLZ-UHFFFAOYSA-N 448.872 5.898 30 10 IKEE C=CCn1cc(OCc2c(F)cccc2Cl)c(=O)cc1CNc1ccc(C)cc1C 1871089722 ZCEMNBOCBVHUHX-UHFFFAOYSA-N 426.919 5.635 30 10 IKEE C=CCN(CC=C)c1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 1871314369 ZLVGRZJQODROFD-UHFFFAOYSA-N 445.364 6.028 30 10 IKEE Cc1ccc(CCC(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc4c(c2)OCO4)C3=O)cc1 1871367101 YIOMIAYKUPSHKW-OYKKKHCWSA-N 442.467 5.187 30 10 IKEE Cc1c(OC(=O)c2cccc(OCC(C)C)c2)ccc2c1O/C(=C\c1ccccn1)C2=O 1871381411 SSVORWIKIQNXJU-UCQKPKSFSA-N 429.472 5.260 30 10 IKEE Cc1cc(OC(=O)c2c(Cl)ccc(Cl)c2Cl)cc2c1C(=O)/C(=C/c1ccco1)O2 1871382822 FGVCKUAKETWAFS-PXNMLYILSA-N 449.673 6.384 30 10 IKEE C[C@H]1C[C@@H](C)CN(Cc2c(O)ccc3c2O/C(=C\c2ccc(Cl)c(Cl)c2)C3=O)C1 1871396663 QPSZODFRFVHIOO-YHRJSEKKSA-N 432.347 5.793 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccc(C)c(Cl)c4)ccc3C2=O)cc1 1871401933 NSBDVHZEVIKXKZ-SAMUYDCASA-N 447.918 5.979 30 10 IKEE CCOc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871452421 PNHFNGAXZBAMAN-OYKKKHCWSA-N 443.499 5.336 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccccc1C(C)C)[C@H](C)CC)S(=O)(=O)c1ccccc1 1872461425 KUKDGXTWUQRECN-XXBNENTESA-N 428.598 5.040 30 10 IKEE CCOc1ccc(-c2nc([C@H](C#N)C(=O)CSc3ccc(Cl)cc3)sc2C)cc1 1872727957 IJVFGUCZCJNMAN-LJQANCHMSA-N 442.993 6.139 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccccc3C(C)C)n2)cc1 1872768700 ZYOZHGKBYMIXIZ-DYESRHJHSA-N 434.561 5.976 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(Cl)c(C)c3)n2)c(C)c1C 1872778434 LBQCCTNUOYOSBR-SFHVURJKSA-N 440.952 5.653 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)c2cccc3ccccc23)n1 1872786045 CJPYHHJWJWSUDW-HXUWFJFHSA-N 432.932 6.424 30 10 IKEE Cc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 1872787617 NSSUGRGMBMLWDA-SFHVURJKSA-N 445.371 6.461 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc2nc(COc3cccc(C)c3C)[nH]c2c1 1872811040 HPSZWLJFJOIISZ-UHFFFAOYSA-N 435.612 6.629 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC2CCCCC2)=C(c2ccc(Cl)cc2)C1=O 1873138492 STIRTYGZUZXZAT-UHFFFAOYSA-N 445.047 6.483 30 10 IKEE C=CCN1C(=O)C(Nc2cccc(OCC(C)C)c2)=C(c2cccc3ccccc23)C1=O 1873182876 GWGFGKXXFIYCSF-UHFFFAOYSA-N 426.516 5.253 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)cc2)cc2c(NCc3ccc(F)cc3)ncnc21 1873611532 FTZUACFMOQQMDH-UHFFFAOYSA-N 435.890 5.274 30 10 IKEE C=CCn1c(C(=O)Nc2ccc3c(c2)OCO3)cc2c(NCCCCCCCC)ncnc21 1873621513 UQNUHMWORQVDJW-UHFFFAOYSA-N 449.555 5.371 30 10 IKEE CCCc1ccc(OCc2nnc(SCC)n2/N=C/c2c(F)cccc2Cl)cc1 1874257705 OOSFZUYAOIBUTR-ZMOGYAJESA-N 432.952 5.596 30 10 IKEE Clc1cccc(CSc2nnc(COCc3ccccc3)n2/N=C/c2ccccn2)c1 1874354425 JELGKCXWPNNKFQ-VULFUBBASA-N 449.967 5.218 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2ccccc2)n1/N=C/c1cccc(Cl)c1 1874375838 QCOAKPCRQCPXEA-CVKSISIWSA-N 436.943 5.836 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCCCO)n1/N=C/c1c(Cl)cccc1Cl 1874401439 NPPHCBJGVAMUOH-WQEJZQBCSA-N 435.380 5.093 30 10 IKEE O=[N+]([O-])c1ccccc1/C=N/n1c(CCc2ccccc2)nnc1SCc1ccccc1 1874402533 GGVNIVCYXVNRHA-KOEQRZSOSA-N 443.532 5.146 30 10 IKEE Oc1ccc(Cl)cc1/C=N/n1c(SCc2ccccc2F)nnc1-c1cccs1 1874422487 OPRLHECYQLBZES-FOKLQQMPSA-N 444.944 5.679 30 10 IKEE Clc1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2ccccn2)cc1Cl 1874424441 LJHQKCGQRPKYPJ-FOKLQQMPSA-N 446.388 5.883 30 10 IKEE Cc1ccccc1CSc1nnc(C2CCCC2)n1/N=C/c1ccccc1OC(C)C 1874452276 NJOYMXRPHJAMSU-WGOQTCKBSA-N 434.609 6.206 30 10 IKEE Fc1ccccc1CSc1nnc(C2CCCC2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874455746 JIAXGYQZJJSAMD-BRJLIKDPSA-N 449.382 6.556 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CCCC2)cc1 1874456002 WBMJTXZKVQVFPA-MFKUBSTISA-N 441.000 6.162 30 10 IKEE Fc1ccccc1CSc1nnc(C(F)(F)F)n1/N=C/c1ccc(Cl)c(Cl)c1 1874461292 GZLZAMLKLVVOTM-KTZMUZOWSA-N 449.260 5.917 30 10 IKEE CC(C)Cc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccc(F)cc1 1874490278 IFPSKVUDIOEKME-BHGWPJFGSA-N 437.371 6.097 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CCC2)cc1O 1874497152 XKYSZGSEIWMAKC-AFUMVMLFSA-N 430.533 5.285 30 10 IKEE CCOc1c(Br)cc(Br)cc1/C=C/C(=O)c1ccc(C)cc1C 1874578747 FCHZBYSKWNBUKJ-SOFGYWHQSA-N 438.159 6.123 30 10 IKEE COc1cccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)c1OCC(=O)NCc1ccco1 1874585786 FYNOQEXHUJOEBO-VAWYXSNFSA-N 447.531 5.113 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCc3c(F)cccc3Cl)c2)cc1OC 1874593835 DJMWIQRQCYIFQN-PKNBQFBNSA-N 426.871 5.971 30 10 IKEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1Cl 1874601546 QEUMPXXGZKDGKS-RIYZIHGNSA-N 434.919 6.235 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)Cc3ccccc3)c2)cc1C(C)C 1874711098 SMZWMIOUSZNXHI-BUHFOSPRSA-N 428.528 6.171 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC(=O)Cc1ccc(F)cc1 1875121882 MIYSZYFSSAZNML-XYOKQWHBSA-N 438.882 5.922 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3OC)c(OC)c2)cc1 1875131421 XVXUFSPCAMVMLT-OQLLNIDSSA-N 446.499 5.147 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccn3)c(OCC)c2)cc1 1875138985 MKLJBBGEBWSCFS-RIYZIHGNSA-N 431.488 5.384 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cc(Cl)c(OC(=O)CC(C)C)c(OC)c2)c1 1875144091 FCFUUPQNPSPUOW-SOFGYWHQSA-N 432.900 5.213 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)C3CCC3)c(Br)c2)cc1F 1875152815 KFYLVHXTKVDNRR-VMPITWQZSA-N 433.273 5.198 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2)cc1 1875155851 CQGSKWLAMSPDJT-VXLYETTFSA-N 442.555 6.779 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)c3ccccc3)cc2)cc1C(C)C 1875162653 JWADMWLWABILFT-WMJZSHNHSA-N 442.555 6.732 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)c1cncc(C)c1 1875163307 FBQPNIRYZQZJOU-RMKNXTFCSA-N 449.453 5.521 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(C)c3C)cc2)cc1 1875167702 LGLKUQVUGVWGPG-LZYBPNLTSA-N 430.500 5.826 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)ccc1OC(=O)CCCSC 1875186484 XYXNMKTWIXOJJN-JXMROGBWSA-N 448.968 5.692 30 10 IKEE Cc1ccc(C(=O)NCCSc2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)cc1C#N 1891794216 MBAKCXICUXFMDW-UHFFFAOYSA-N 445.975 6.191 30 10 IKEE Cc1ccc2c(C(=O)NCC#CCN3CCc4ccccc4C3)cc3c(C)cccc3c2c1 1891953571 QJDTXNYMWJJDBI-UHFFFAOYSA-N 432.567 5.401 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCC2(CCCCC2)C1 1915886460 RWHHTXUEBKGVTI-JOCHJYFZSA-N 433.390 6.587 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@]12CCCC[C@H]1CN(C(=O)OC(C)(C)C)C2 1922094881 OXSVAVYFMXVKAP-FXSPECFOSA-N 428.617 5.165 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1cscc1Cl 1942308734 CXIDMJSWDWNYMM-HNNXBMFYSA-N 427.751 6.170 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@](C#N)(N(C(=O)OC(C)(C)C)C3CCCC3)[C@H]2C1 1944457963 JNUOCVHMJKYAPH-WVMBUTMQSA-N 433.593 5.095 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1944587232 BITFQKHCNYDTNF-WAIKUNEKSA-N 449.979 5.669 30 10 IKEE CCCCCCCCCCC(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1947476363 NNSFERPVVWLDKA-HSZRJFAPSA-N 433.633 6.587 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C1 1949194490 PLUMOPNHTTZADN-QHCPKHFHSA-N 447.601 5.169 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](CSCCC)NC(=O)OC(C)(C)C 1975727005 KLSXNPDBVUHOKZ-YADHBBJMSA-N 436.662 5.164 30 10 IKEE CCc1ccc(C#N)c(NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)c1 1988048471 JUAKQTLPUJZNOR-UHFFFAOYSA-N 441.531 5.393 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C)([C@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)C1 1992797957 RYWAUIUSEFXWKP-HTAPYJJXSA-N 435.590 5.024 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C(C)(C)C1 2013251727 AYWUINRFXSDUES-DEOSSOPVSA-N 435.609 5.486 30 10 IKEE CC(C)N[C@@]1(C#N)C[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)C[C@@H](C)C1 2055022969 HKAPMEYQGXHTPQ-FQLPYIGMSA-N 432.656 5.070 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NC)c2c(Cl)ccc(Br)c2F)C1 2077087265 FUTSNPHLNWTMNJ-HNNXBMFYSA-N 433.749 5.116 30 10 IKEE CC(C)Oc1ccc([C@H](C(C)C)n2nc(C(C)(C)C)c(C=NO)c2Br)cc1 2080057555 KPORIKSKKCWQPN-SFHVURJKSA-N 436.394 5.784 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1cnn(C(F)F)c1 2120856896 XDCSEVIGPDPVOS-CQSZACIVSA-N 427.249 5.047 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@](C#N)(Nc3ccc(Br)cc3)C[C@H]21 2166974191 PRDWQOAUDBYIIM-FPDPHYFHSA-N 434.378 5.323 30 10 IKEE C[C@@H](Nc1ccc(C#N)c(Br)c1F)[C@H](NC(=O)OC(C)(C)C)c1ccco1 2172876162 CPYMEGZBTIKAJB-DIFFPNOSSA-N 438.297 5.119 30 10 IKEE CC(C)N(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1ccc(C#N)c(Br)c1 2174810786 QDPWFMWTTSDPIX-SFHVURJKSA-N 436.394 5.325 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(C#N)c(Br)c2)c(F)c1 2181136407 IGVIXJZRCZGAAQ-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2255955488 OQLDGBLHWPOKES-QGZVFWFLSA-N 439.792 5.080 30 10 IKEE N[C@H](C#Cc1ccc(Br)cc1)c1scc(Br)c1Br 2264188262 AWTXVRHREDEDOT-LLVKDONJSA-N 449.993 5.087 30 10 IKEE O=C1C(=Cc2ccc(N3CCCC3)cc2)SC(=Nc2ccccc2)N1Cc1ccco1 2294137634 SGHLRBWIKNDLHE-UHFFFAOYSA-N 429.545 5.684 30 10 IKEE Cc1cc(C)c2nc(N3C(=O)C(=O)C(=C(O)c4ccco4)[C@H]3c3ccc(F)cc3)sc2c1 2296098681 GXLJAAWPPLNJED-HXUWFJFHSA-N 448.475 5.272 30 10 IKEE CN[C@H](C#Cc1ccc(Br)cc1)c1cc(Cl)cc(NC(=O)OC(C)(C)C)c1 2296309699 ZHQCDWZFTHCKPN-LJQANCHMSA-N 449.776 5.762 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H](CC(C)(C)C)NC(=O)OC(C)(C)C 2296310025 DKOCTIUACLFTHI-MOPGFXCFSA-N 437.422 5.108 30 10 IKEE CCn1cc(C=C2Oc3cc(OCc4ccc(OC)cc4)ccc3C2=O)c2ccccc21 2296590712 JTVMDZNYILMNGU-UHFFFAOYSA-N 425.484 5.865 30 10 IKEE CCCCCCCCCC=CCOC(=O)C=Cc1ccc(C=Nc2ccc(O)cc2)cc1 2297535792 WPGZQBUUIIGDTG-UHFFFAOYSA-N 433.592 7.396 30 10 IKEE CCN[C@@H](C#CC1(OC)CCCCC1)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 2300843029 XPPMCXGYCMQKRO-QHCPKHFHSA-N 428.617 5.145 30 10 IKEE O=C(C=Cc1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc(Nc2ccccc2)cc1 2318788684 PPRGUTYZEZMRFG-UHFFFAOYSA-N 448.522 6.230 30 10 IKEE CCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1N=Cc1cccc(F)c1 2321395675 SQNBHVXYFBAETQ-UHFFFAOYSA-N 446.979 5.693 30 10 IKEE CCCCCCN1COc2ccc3c(c2C1)OC(=Cc1cn(CC)c2ccccc12)C3=O 2322083259 UEHPHBPCTUMDIO-UHFFFAOYSA-N 430.548 6.010 30 10 IKEE Cc1ccc(CCN2COc3cc(C)c4c(c3C2)OC(=Cc2ccccc2Cl)C4=O)cc1 2322220601 QKYXQZFMDJGWKK-UHFFFAOYSA-N 445.946 5.968 30 10 IKEE C[C@@H](N1COc2ccc3c(c2C1)OC(=Cc1ccccc1)C3=O)C12CC3CC(CC(C3)C1)C2 2322261854 DIXPVDWMEWZZMX-HUZOGFBVSA-N 441.571 6.060 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc3ccccc3c2)c1OCc1ccc(C)cc1 2322326455 WARAGTBKEBQCNF-UHFFFAOYSA-N 442.942 7.285 30 10 IKEE CCCCN1COc2c(cc3c(c2C)OC(=Cc2cc(Cl)cc4c2OCOC4)C3=O)C1 2322346795 JSQMUNLGQFTYNX-UHFFFAOYSA-N 441.911 5.083 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 2322481580 MZNQOHJLGKUALX-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2cccc(Cl)c2)c1OCc1cccc(F)c1 2322525057 UJBYAYNTXNKVGT-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE COc1cccc(C=CC(=O)c2cccc(Cl)c2)c1OCC(=O)Nc1ccc(C)c(C)c1 2322528059 FHUIUPFGDRXATM-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCCOC(=O)COc1ccc(Br)cc1C=CC(=O)c1ccc(C)cc1C 2322566351 FHYRBACPUZQXBV-UHFFFAOYSA-N 431.326 5.294 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(Cl)cc1C=CC(=O)c1cc(C)ccc1OC 2322646516 JMCGQTNQCKUSIF-UHFFFAOYSA-N 443.971 5.581 30 10 IKEE CC(C)Oc1ccc(C=C(C(=O)N2CCn3c(C#N)ccc3[C@@H]2C)c2ccccc2)cc1 2322748079 SKIBJBHQQIYPJO-FQEVSTJZSA-N 425.532 5.291 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cc(Cl)ccc2OCc2cc(C)ccc2C)cc1C 2322995509 ALRVKGRLKKHKLD-UHFFFAOYSA-N 434.963 7.057 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1OC 2323412779 AETSCXVNISFVKY-UHFFFAOYSA-N 445.559 5.772 30 10 IKEE O=C(C=Cc1ccc(Cl)cc1Cl)Oc1ccc2c(c1)OC(=Cc1ccccc1)C2=O 2323461414 HJYMOZWEIQDGDK-UHFFFAOYSA-N 437.278 6.228 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3F)c([N+](=O)[O-])c2)cc1 2323471281 AHPPBZUTOQKGGJ-UHFFFAOYSA-N 448.450 5.210 30 10 IKEE CCOc1c(Br)cc(C=CC(=O)c2cccc(OC)c2)cc1Br 2323486224 BBVVOOVJWGDLEW-UHFFFAOYSA-N 440.131 5.515 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OCc3c(Cl)cccc3Cl)c(Cl)c2)c1 2323486861 LOQBUSSTLNDZMF-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OC(=O)C=Cc4ccccc4)c3C)C2=O)c(OC)c1 2323744567 OPDWMTUMAWLOQN-UHFFFAOYSA-N 442.467 5.247 30 10 IKEE COc1ccc(Br)cc1C=NNc1nc(-c2ccc(OC)c(OC)c2)cs1 2323840190 WOOQFWFTLNXKLO-UHFFFAOYSA-N 448.342 5.044 30 10 IKEE O=C(CCc1cccs1)Oc1ccc2c(c1)OC(=Cc1ccccc1OC(F)F)C2=O 2323974911 PCDNSFMXIHKAEG-UHFFFAOYSA-N 442.439 5.504 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(OC)c1OCc1ccccc1F 2323985490 JWBUERSPGQUORA-UHFFFAOYSA-N 434.482 6.485 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 2323992425 LLSLEDPTALEWOW-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(OC)c(F)c3)cc2)cc1 2324107488 NEQRYQCIWHBCIR-UHFFFAOYSA-N 433.479 5.310 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccccc4Cl)cc(C)c3C2=O)o1 2324397574 XSZVRZQUXQZOHY-OAHLLOKOSA-N 437.879 5.572 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc([N+](=O)[O-])c1OCc1ccccc1 2324451918 SWAYYIRDWNURFM-UHFFFAOYSA-N 431.488 6.085 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3c(F)cccc3Cl)cc2)c(OC)c1 2324463879 VAEPEWRSVUCWKO-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1 2324478274 PKYZPPILNJEXIP-QGZVFWFLSA-N 445.490 5.719 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3cc(OC)ccc3OC)n2)cc1 2324506130 VDRHGJAFWXGGAQ-HXUWFJFHSA-N 434.517 5.116 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3F)c(OC)c2)cc1Cl 2324623668 RZFLHUBNAQWKDO-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE O=C1C(=Cc2ccc3c(c2)OCO3)Oc2cc(OCCOc3ccc(Cl)cc3)ccc21 2324666000 JFHOVPITBIIQTR-UHFFFAOYSA-N 436.847 5.143 30 10 IKEE CCC(CC)(CS)COCc1ccc(I)c(Br)c1 2325382139 RZXDDBCDSURXDW-UHFFFAOYSA-N 443.188 5.307 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(C)o2)C3=O)cc1 2325614063 BPHPOULKCHHQGE-INIZCTEOSA-N 431.488 5.735 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)C34CC5CC(CC(C5)C3)C4)c2)cc1 2325718472 DYKHWAQSXIQGIB-UHFFFAOYSA-N 446.543 5.722 30 10 IKEE COc1ccc(CC(=O)Oc2cc(C=CC(=O)c3cc(C)ccc3C)ccc2OC)cc1 2325739633 QQRMLPHZEKHLJD-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(O)c(Br)c1 2326250311 HKHVINKJQWBDQI-UHFFFAOYSA-N 449.349 5.012 30 10 IKEE CCCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc(OCC)cc1 2326606553 SZVILFUMLABNEY-UHFFFAOYSA-N 444.604 6.000 30 10 IKEE CCCCOc1cccc(C=Nn2cnnc2SCc2ccc(Cl)cc2Cl)c1 2326697590 LMSAOVAKZQUOSP-UHFFFAOYSA-N 435.380 5.938 30 10 IKEE CCCOc1ccccc1C=Nn1c(COc2ccccc2OCC)nnc1SCC 2326821221 DUMMNZNCZQXGJU-UHFFFAOYSA-N 440.569 5.039 30 10 IKEE COc1ccc(C=C2C[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]3(C)C2=O)c(OC)c1OC 2328655228 IHDHMAPCNXWQRB-DHMIZTNRSA-N 448.559 5.537 30 10 IKEE CCCSc1nnc(CCc2ccccc2OC)n1N=Cc1ccc(C(F)(F)F)cc1 2328699661 AJAVUDFUPKZERM-UHFFFAOYSA-N 448.514 5.475 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1ccc(F)cc1F 2328789377 WMMNIUGMAKIXCY-UHFFFAOYSA-N 428.508 5.303 30 10 IKEE Cc1cccc(CSc2nnc(Cc3cccs3)n2N=Cc2ccccc2[N+](=O)[O-])c1 2330346493 PXSNAXVJZOEUCH-UHFFFAOYSA-N 449.561 5.322 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccc(C)cc3)nnc2-c2cccs2)c1O 2330530770 VBUDXEDQNBTDKU-UHFFFAOYSA-N 436.562 5.204 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccccc2)n1N=Cc1ccc2c(c1)OCCO2 2330635027 SXPRKCAHSOOUSW-UHFFFAOYSA-N 442.544 5.199 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c([N+](=O)[O-])c2)cc1 2330749832 OBXPUYWJZXTUBN-UHFFFAOYSA-N 446.415 5.181 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccn3)c(OCC)c2)cc1 2330842464 OMGUXOJLJDPPLQ-UHFFFAOYSA-N 429.516 5.938 30 10 IKEE CC(C)(C)Cc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccccn1 2330857345 SSZLPZIJNCOPGQ-UHFFFAOYSA-N 434.396 5.743 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)ccc1OC(=O)c1ccccc1OC 2330979558 HCJITJSINYJVKJ-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE Cc1cccc(C=Nn2c(SCC(=O)N[C@@H](C)c3ccccc3)nnc2C2CCCC2)c1 2331094224 ZNEURCYQJUBZNA-IBGZPJMESA-N 447.608 5.096 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3cccc(C)c3)nnc2-c2ccco2)c1 2331183359 AFMBBLSRGYOODC-UHFFFAOYSA-N 432.549 5.810 30 10 IKEE CCCCOc1ccc(C=Nn2c(CCOC)nnc2SCc2ccc(C)cc2)cc1 2331239501 FJVZBNRHELSEEP-UHFFFAOYSA-N 438.597 5.129 30 10 IKEE Cc1cccc(C=Nn2c(SCC(=O)Nc3cc(C)ccc3C)nnc2C(C)(C)C)c1 2331361373 OVRXKEQGJPQKQN-UHFFFAOYSA-N 435.597 5.114 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(F)c2)ccc1OC(=O)c1ccc(CC)cc1 2331463921 DSYSZGBUGCWTJQ-UHFFFAOYSA-N 448.490 5.911 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(Cl)cc2Cl)c(Cl)c1)c1ccc(F)cc1 2331522976 RSJSZTPUMUZKQW-UHFFFAOYSA-N 449.692 6.901 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C2CCC2)c1 2331533432 ZBUHUZZOSYXOOE-UHFFFAOYSA-N 447.391 6.041 30 10 IKEE Oc1ccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C2CCC2)cc1 2331543519 HMBHBOMQNUIGKD-UHFFFAOYSA-N 433.364 5.733 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(F)c3)cc2OC)c1 2331571241 HGLKRSNLZWDDRF-UHFFFAOYSA-N 438.426 5.487 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(OCC)ccc2OCC)cc(OC)c1OC(=O)CC 2331685002 PSGNMTAQICGZAO-UHFFFAOYSA-N 438.520 5.433 30 10 IKEE C=C[C@@](C)(CNC(C)(C)C)Cc1ccc(I)c(Br)c1 2349923847 UAVBIEWZWLPUSC-MRXNPFEDSA-N 436.175 5.177 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1cnc(C(F)(F)F)o1 2367980013 DLZDTWWOGDLLFO-GFCCVEGCSA-N 446.223 5.462 30 10 IKEE CCCCCCCCCCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2OC)cc1 14255390 SMTPHUXROKHHSL-UHFFFAOYSA-N 441.568 6.254 30 10 IKEE O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1)NC1CCCCCC1 15867227 IEXMAOLARYSGDZ-SANMLTNESA-N 449.620 5.567 30 10 IKEE CC(C)(C)[C@H]1CCc2nc(SCC(=O)Nc3c(Cl)cccc3Cl)c(C#N)cc2C1 20467862 DCCPJHXWBWCOFH-HNNXBMFYSA-N 448.419 6.142 30 10 IKEE Cc1ccc(-c2cn(/N=C/c3ccccc3)c(NC(=O)Nc3ccc(F)cc3F)n2)s1 20616430 DPNPXODNEOCKBP-BRJLIKDPSA-N 437.475 5.724 30 10 IKEE C/C(=N\Nc1nc(SCCC(=O)Nc2ccc(F)cc2)n[nH]1)c1ccc2ccccc2c1 20835599 OYHQMNJEXFNSFJ-JFLMPSFJSA-N 448.527 5.054 30 10 IKEE Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(-c4cccc([N+](=O)[O-])c4)c32)cc1 20849699 WPTSZLWFLAHUPM-FQEVSTJZSA-N 428.492 5.494 30 10 IKEE CCOc1cc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(CC)cc2)C3)cc(Cl)c1O 20884496 YQJZGAQVMFIELZ-FUHWJXTLSA-N 439.939 5.011 30 10 IKEE CC(C)Oc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccnc2)cc1 20885045 BFJHTKQSUAGPAC-HRFSGMKKSA-N 425.532 5.848 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C)o2)cc1OC 21223076 STAQCSXUSCJJAN-DNOBIOAJSA-N 444.531 5.975 30 10 IKEE CCOc1cc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(CC)cc2)C3)ccc1OC(C)C 21228425 YKCVKWZCUVTBHH-YADHBBJMSA-N 447.575 5.439 30 10 IKEE COc1ccc(OC)c(/C=C2/Oc3cc(OCc4c(F)cccc4Cl)ccc3C2=O)c1 33422676 VLQVXLSZAIYTGH-FOKLQQMPSA-N 440.854 5.692 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O 38320862 HVOAPBFTOQNEEE-MTJSOVHGSA-N 436.847 5.193 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)S/C1=N/c1nccs1 39864883 RUFQOFQZMICEOF-SYUAUQEVSA-N 447.585 5.821 30 10 IKEE C=CCOc1ccc(-c2nonc2NC(=O)c2nc(C)sc2-c2ccccc2)cc1C 40327479 FUCVEPIBYHDUAV-UHFFFAOYSA-N 432.505 5.294 30 10 IKEE CCCOc1cccc([C@@H]2C(C(C)=O)=C(C)Nc3nc(SCc4ccccc4)nn32)c1 54644171 VIXPWWZYQHMCBV-JOCHJYFZSA-N 434.565 5.237 30 10 IKEE CC[C@@H](C)Oc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OC(C)C)cc2)C3)cc1 59530917 RVYORPVTVDVABS-MEKIYTOJSA-N 447.575 5.655 30 10 IKEE CCCCCCCCCCCCCCCCOC(=S)N[C@]1(C)CCS(=O)(=O)C1 59568430 IGFCXIXVGSCOQM-JOCHJYFZSA-N 433.724 5.936 30 10 IKEE CC[C@@H](C)c1ccccc1Nc1nc(SC)nc(-c2ccc(OC)c(OC)c2)c1C#N 62041318 DUCFKJPJWXAPNG-OAHLLOKOSA-N 434.565 6.011 30 10 IKEE CCCCCCCOc1ccc(NCC(=O)Nc2ccc(C(=O)NC(C)C)cc2)cc1 100077804 LHHVJWLCVCSSQP-UHFFFAOYSA-N 425.573 5.225 30 10 IKEE CCCCCCCCC/C=C/C[C@H](CC(=O)Nc1ccc(Br)cc1)C(=O)O 100166487 MQNHEGLHWZYQRP-DOJUMQAQSA-N 438.406 6.566 30 10 IKEE CCN1C(=O)C[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)S/C1=N\c1ccc(F)cc1 100197376 CKJVXKBISXKFDY-WGCOJADFSA-N 440.327 5.113 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1ccccc1OCC(C)C 100443908 FSHONQSZOASSRG-UHFFFAOYSA-N 434.690 7.236 30 10 IKEE CCCCCCCCCCCCCCOc1ccc(OC(=O)c2ccc(C=O)cc2)cc1 101005896 JPJMCTSCAMNOJN-UHFFFAOYSA-N 438.608 7.798 30 10 IKEE COc1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccc(Cl)cc3)[C@H]2c2ccccc2F)cc1 102619017 ZEPFUZRFCKHNMF-SADKCHQCSA-N 437.854 5.114 30 10 IKEE CCCCCCCCCC(=O)N(CCCC)CC(=O)N(Cc1cccn1C)CC(C)C 103065578 LJVCBTPHPKSEMO-UHFFFAOYSA-N 433.681 5.779 30 10 IKEE CCCCCCCN(CCCCCCC)CN1C(=O)/C(=N\c2ccccc2)c2ccccc21 105425989 OPWVKQQZPGOWPZ-HYOGKJQXSA-N 447.667 7.354 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)NCCCN(CCO)CCO 111411388 RUBMRRHXTTXPMB-UHFFFAOYSA-N 428.702 5.041 30 10 IKEE CO/N=C(\C)[C@H]1/C(=N/OC)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118914449 KLCZPBNZZJGNRW-HIVPYBMQSA-N 432.605 5.212 30 10 IKEE CCc1cc2c(=O)n(Cc3cccc(C#N)c3)c(Cc3cccc4ccccc34)nc2s1 169902663 UDEVKVFBRPNJNI-UHFFFAOYSA-N 435.552 5.684 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(Oc3cc(C)ccc3C)cc2)NC(=S)N1 169937890 DUNIAMIUOGQFDP-XMMPIXPASA-N 428.557 5.771 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1c1ccc(C)cc1 169944887 JMYCOGQVZVFHMQ-SANMLTNESA-N 449.506 5.940 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2cccs2)cc1 169985055 ZPKZKDTWBZUKEK-NRFANRHFSA-N 437.492 5.377 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(O)c(Cl)c2)c(C)c1 170040628 ISDJEXZJZHCUGU-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccccc2)cc1 170052783 UXJLMDSWBUYOTH-SANMLTNESA-N 449.506 6.021 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@@H]2c2ccc(F)cc2)cc1 170065632 CUXAQWYCBRVKNW-JOCHJYFZSA-N 441.462 5.047 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2sccc2C)cc1C 170107985 OFNLQMRTBRZMBL-NRFANRHFSA-N 435.520 5.591 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccccc1OC 170125425 ASFFLJPSVRGSSI-HSZRJFAPSA-N 437.536 5.027 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2cccs2)cc1C 170159001 YINJPLWUHZNDPX-HSZRJFAPSA-N 447.556 5.773 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccs2)ccc1OC(C)C 170161623 PJDZWWMOESHPBD-QHCPKHFHSA-N 447.556 5.935 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccn2)cc1C(C)C 170169101 HWOIDOIBLLNBES-QHCPKHFHSA-N 446.478 5.136 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)[C@H]2c2cccnc2)c1 170185743 KAGOBZKJUMDBAA-JOCHJYFZSA-N 444.874 5.573 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2cccnc2)c1C 170187877 ZCOQLBLXUWVLJK-VWLOTQADSA-N 434.495 5.635 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cccnc1)c1cc2cc(Cl)ccc2o1 170194348 XYWDRUFULIDIMI-NRFANRHFSA-N 436.895 5.392 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccncc1 170203478 FJUPOLYGSCNDPT-QHCPKHFHSA-N 426.516 5.470 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(OC)ccc3Cl)[C@H]2c2ccccc2)cc1 170224933 XZNIGSXIQCVJJD-JOCHJYFZSA-N 449.890 5.140 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccccc2)cc1OC 170225451 ODAQOQYKVPUPIT-XMMPIXPASA-N 443.499 5.104 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc(F)cc1)c1cc2ccccc2o1 170238229 MVZFUDBRGMKMFV-JOCHJYFZSA-N 431.394 5.494 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 170242322 WXKPUOFNADJEMD-HXUWFJFHSA-N 448.321 6.044 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1F)c1ccc2ccccc2c1 170248279 YRPVQPBNHCTXJS-XMMPIXPASA-N 441.433 5.901 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@@H]1c1c[nH]c2ccccc12 170255195 NRVAQORXWUACHE-DEOSSOPVSA-N 446.547 5.581 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccc2C)cc1 170271525 XDHKBYHZCKXIAY-DEOSSOPVSA-N 427.500 5.485 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccco2)cc1 170281039 XDPVBTBBEKNAJK-HSZRJFAPSA-N 431.488 5.585 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccco2)cc1 170285997 ZPOFPFODSGXAKI-QHCPKHFHSA-N 431.488 5.468 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccco1 170288810 RZGHESKZOWPAMX-JLCFBVMHSA-N 449.890 5.348 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1cccc(Oc2ccccc2)c1 170455447 DYHWXIPNPSNACY-QFIPXVFZSA-N 447.556 6.051 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2nc3ccc(C(C)C)cc3s2)[C@@H]1c1ccccn1 170479422 VRCXSYWBOAVWAR-OAQYLSRUSA-N 435.549 5.330 30 10 IKEE Cc1cc(C)c2c(N)c(C(=O)Nc3ccc(C(=O)/C=C\c4cccs4)cc3)sc2n1 211405267 ITSWMBFBGMIEJR-KTKRTIGZSA-N 433.558 5.705 30 10 IKEE Cc1ccc(C=Nn2c(N)c(C(=O)Nc3ccc(C)c(C)c3)c3nc4ccccc4nc32)cc1 254350471 LRHQVCASSAFGHN-UHFFFAOYSA-N 448.530 5.226 30 10 IKEE CC1(C)CSC(=Nc2cccc(C(F)(F)F)c2)N1C(=O)/C=C\c1ccccc1[N+](=O)[O-] 254403970 UCIRUMCKFSROQL-BKUNMLSWSA-N 449.454 5.669 30 10 IKEE CCSc1nnc(C(F)(F)F)n1N=Cc1ccc(COc2ccc(Cl)cc2)o1 254446107 WXUXPDLOQYTIPZ-UHFFFAOYSA-N 430.839 5.117 30 10 IKEE COc1ccccc1NC(=O)c1c(N=Cc2ccc(N(C)C)cc2)sc2c1CC[C@@H](C)C2 254630464 GRBPHZITUAMPKJ-QGZVFWFLSA-N 447.604 5.950 30 10 IKEE CCOc1ccc(C=NNc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)n2)c(O)c1 254729789 ITQLCZJVFBUMOY-UHFFFAOYSA-N 428.467 5.500 30 10 IKEE Cc1cccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=S)NC2CCCCC2)c1 254733648 BXFYKVKEXOBKLH-UHFFFAOYSA-N 445.588 5.498 30 10 IKEE Cc1nc(Nc2ccc(N3CCC(O)CC3)c(C#N)c2)c2c(-c3ccccc3)csc2n1 301461803 JDZFLRYWJMBCFH-UHFFFAOYSA-N 441.560 5.243 30 10 IKEE CCOc1cc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccc(C)c2)ccc1OC 526487032 SXIYNWRSIDMBSF-RUZDIDTESA-N 440.499 5.331 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)c(Cl)c3)[C@@H]2c2ccc(F)cc2)cc1 526491856 YCDRDSUYPQDLTH-NRFANRHFSA-N 439.273 6.061 30 10 IKEE Cc1cc(C)cc(CSc2nnc(CCc3ccccc3)n2/N=C\c2sccc2C)c1 526809533 NGQQGYHDVLHCRG-QQXSKIMKSA-N 446.645 6.225 30 10 IKEE CCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1ccc(OC)c(OC(C)C)c1 526818923 HIWGLEFZMBUFID-QFEZKATASA-N 438.597 5.428 30 10 IKEE CCCOc1c(Cl)cc(/C=N\n2cnnc2SCc2cccc(F)c2)cc1Cl 526824583 KCDMYVOYXLPEBU-VROXFSQNSA-N 439.343 5.687 30 10 IKEE C=CCN(CC=C)C(=O)c1cccc(NC(=O)NC2CCCCCCCCCCC2)c1 586604389 RZNWEINFVCKMPM-UHFFFAOYSA-N 425.617 6.296 30 10 IKEE N#Cc1c(F)ccc2nc(S)n(CCCN(Cc3ccccc3)Cc3ccccc3)c12 702660854 HHYPFFJLFSJMIY-UHFFFAOYSA-N 430.552 5.428 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@H](C#N)c1cccc(Br)c1Cl 706501224 TWYDLBHOWROHIA-INIZCTEOSA-N 427.770 6.237 30 10 IKEE C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(F)c(F)c2)[n+]2ccc(CCC)cc2)c1 726572645 GWRNTYOEKBJUTO-UHFFFAOYSA-O 435.519 5.509 30 10 IKEE CN(c1ccccc1)c1ccc(/C=C\C(=O)c2ccc(C(F)(F)F)nc2O)cc1[N+](=O)[O-] 731564439 FFVFXZLWLWPGCW-FLIBITNWSA-N 443.381 5.378 30 10 IKEE O=C1/C(=C/c2ccccc2Cl)SC(=Nc2ccncc2Cl)N1C1CCCCC1 1772735085 GOYMNFIXCNGXSX-OSZNWEDFSA-N 432.376 6.325 30 10 IKEE Cc1csc(N=C2S/C(=C\c3c(Cl)cccc3Cl)C(=O)N2c2ccccc2)n1 1772736392 JEQPSHXXKRZJSJ-UTQUROFUSA-N 446.384 6.567 30 10 IKEE C/C(C=NN=C1S/C(=C/c2ccccc2F)C(=O)N1Cc1ccco1)=C\c1ccccc1 1772759116 LUQPNGUDHMEXCB-CXRPZPFUSA-N 445.519 5.981 30 10 IKEE C[C@H]1C[C@H](C)CN(C(=O)Oc2cccc3c(NC(=O)c4cccc(C#N)c4)cccc23)C1 1858954411 MCHHRRHPFXUTKR-ROUUACIJSA-N 427.504 5.440 30 10 IKEE CCCCCCCCNC(=O)[C@@H](NC(=O)Cc1cc(Cl)ccc1SC)[C@@H](C)CC 1860978621 KJAVNATXWJFELZ-JTSKRJEESA-N 441.081 5.612 30 10 IKEE CCCCCCCCNC(=O)[C@@H](NC(=O)c1ccccc1OCC(C)C)c1ccccc1 1861356255 UDQSNSJUTSVUSL-VWLOTQADSA-N 438.612 5.669 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(C(C)(C)C)cc2)n(Cc2ccccc2F)n1 1862364818 JUQPWVDASAYGFH-UHFFFAOYSA-N 431.555 5.849 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2ccccc2Cl)cc1 1862391541 CICVSAPIUZAKHE-KSFYIVLOSA-N 425.956 6.059 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc2cc[nH]c2c1 1862407207 JDSXLXXXDPGZSX-XMMPIXPASA-N 446.547 5.644 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(F)c1 1862445573 YYFVRVGWRNPIOK-QFIPXVFZSA-N 443.946 6.418 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2cccc(Cl)c2)c1 1862490757 DANDBTAZWUOTBN-QHCPKHFHSA-N 449.909 5.874 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2cccc(F)c2)ccc1F 1862501855 MBVVQLARULTCTR-OAQYLSRUSA-N 439.483 5.156 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccccc1C 1862508211 YVQOZTBIAPGTTJ-XMMPIXPASA-N 437.555 6.381 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(C(C)C)cc1 1862534155 PKGHZNJUZPKZCX-VWLOTQADSA-N 433.592 6.531 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(F)cc1F 1862535238 XCEMIGBGQYSFGA-QFIPXVFZSA-N 427.491 5.686 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccccc1Cl 1862535589 GJQHOXIXJNTCPT-QFIPXVFZSA-N 425.956 6.061 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(F)cc1 1862545132 SSQQAKUZIOKCJN-DEOSSOPVSA-N 435.539 5.863 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(F)cc1F 1862545534 CGCGZDCBVKBMMH-JOCHJYFZSA-N 425.475 5.222 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2ccccc2)cc1 1862554519 FAKQDSXVOGVYJP-XDHUDOTRSA-N 426.516 5.171 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(C(C)(C)C)cc1 1862562133 YLZGMDKYIOXFAC-CUHUQNRHSA-N 446.591 5.723 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1cccc(OCC)c1 1862618960 LACZKRDLNPBZRL-DEOSSOPVSA-N 449.591 6.151 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2cccc(F)c2)cc1F 1862637374 FRADQGTZKUPTCY-HSZRJFAPSA-N 449.453 5.060 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccc(Cl)c1 1862662246 WIKWFLLZGYDKLC-JOCHJYFZSA-N 425.956 6.232 30 10 IKEE CCCOc1ccc(C2=C(Nc3ccc(C)cc3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862981521 SGDWCDRLOYHWCJ-UHFFFAOYSA-N 437.499 5.052 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(F)ccc2F)=C(c2ccc(F)cc2)C1=O 1863147277 JRNWKKOOLFOJHD-UHFFFAOYSA-N 430.470 5.656 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(OC)c(Cl)c2)=C(c2cc(Cl)ccc2Cl)C1=O 1863382366 SKNGPZIJLHAXEP-UHFFFAOYSA-N 437.710 5.033 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(C)c(C)c2)C(=O)N(Cc2ccco2)C1=O 1863603343 IHTDUNNSSZQVCA-UHFFFAOYSA-N 436.596 5.907 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccccc2)=C(c2ccc(OC(C)C)cc2)C1=O 1863696258 HQSFCAXBEMTAOZ-UHFFFAOYSA-N 448.607 5.704 30 10 IKEE CCCCCCCCNC1=C(c2ccc(F)c(C)c2)C(=O)N(CCc2cccs2)C1=O 1863794752 LSUUYBSGYKYFDC-UHFFFAOYSA-N 442.600 5.468 30 10 IKEE CC(C)c1nc(Nc2cccc(C#N)c2)cc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)n1 1868221106 DYUBOGKCANOXOH-OAQYLSRUSA-N 433.943 5.447 30 10 IKEE C=CCN(CC=C)c1cc(N2Cc3cc(OC)c(OC)cc3C(C)(C)C2)nc(C(C)C)n1 1869106018 PLWYSHBASXEZDD-UHFFFAOYSA-N 436.600 5.093 30 10 IKEE CCCCCCCCNC(=O)c1cn(-c2ccc(OCCCCCC)cc2)c(=O)cc1O 1870128320 PLBDALFCCQWWEM-UHFFFAOYSA-N 442.600 5.593 30 10 IKEE N#Cc1nnn(-c2ccc(OCc3ccccc3)cc2)c1NC(=O)c1cccc2ccccc12 1870152721 HNWFZDHIDPNGAG-UHFFFAOYSA-N 445.482 5.123 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(CC)cc2)c(=O)cc1CN1CCOCC1 1870465167 OFPNYRWHGOZRBA-UHFFFAOYSA-N 440.628 5.182 30 10 IKEE CCCCCCCOc1cn(CC)c(CNc2ccc(N3CCC(C)CC3)cc2)cc1=O 1870835741 GZHSZCMPWYEXQM-UHFFFAOYSA-N 439.644 6.066 30 10 IKEE CCCCCCCOc1cn(CCCO)c(CNc2cccc(C(F)(F)F)c2)cc1=O 1870837369 CCGXAOVPNBCVSD-UHFFFAOYSA-N 440.506 5.211 30 10 IKEE C=CCn1cc(OCc2cccc3ccccc23)c(=O)cc1CNc1ccc(C(C)C)cc1 1870918848 SLBFKJHENZTTDF-UHFFFAOYSA-N 438.571 6.502 30 10 IKEE CCCCCCCCn1cc(OC)c(=O)cc1CNc1ccc(OCC)c(OCC)c1 1870997042 GZUASOCWVYJHFD-UHFFFAOYSA-N 430.589 5.627 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4C)cc(C)c3C2=O)cc1 1871409253 JRMZDAIMECYKIF-QCYAWUEASA-N 427.500 5.634 30 10 IKEE Cc1cccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2F)C3=O)c1C 1871413337 DODBRTRDCOLPKJ-WTZXFZKGSA-N 445.490 5.773 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O 1871435215 ZCWHERMCNQPFDL-XUVWKZFSSA-N 442.939 6.237 30 10 IKEE CC(C)c1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871435369 HNQZYLTUGFANGX-CFRMEGHHSA-N 447.918 6.097 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(C(C)C)cc1)[C@H](C)CC)S(=O)(=O)c1ccccc1 1871851778 PBBLLWRYMCCAIX-XXBNENTESA-N 428.598 5.040 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 1872249068 ISCHFMZSXNPEAG-NRFANRHFSA-N 434.989 5.023 30 10 IKEE Cc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3ccccc3Cl)cs2)c(C(C)(C)C)c1 1872764819 YVCVLOIHVLNAPO-KRWDZBQOSA-N 438.980 6.325 30 10 IKEE CC[C@H](C)N1C(=O)c2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)cc2C1=O 1872770369 REGSBLNINOAQJA-MGPUTAFESA-N 443.528 5.003 30 10 IKEE COc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1 1872778130 DTHHQVBMDHUTEH-MRXNPFEDSA-N 447.343 5.553 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)c(Cl)c3)n2)cc1Cl 1872785244 JFATVXHUCATOQX-GFCCVEGCSA-N 437.735 6.269 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)c2cccc(NC(C)=O)c2)n1 1872786407 JGTQWMOLRLQWKJ-SFHVURJKSA-N 439.924 5.229 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@@H](C#N)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)n1 1872788534 KIAKTVYCGCFPDN-AUNFYEFLSA-N 439.880 5.270 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2C(F)(F)F)=C(c2ccccc2)C1=O 1873413927 PYCPVRXBWMYTIS-UHFFFAOYSA-N 444.497 6.258 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(OC)cc2C)cc2c(NCCCCCCCC)ncnc21 1873621271 NQZXJTYGGBRCER-UHFFFAOYSA-N 449.599 5.959 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccccc1C)n2CC 1873628993 DTMVSQDYFUMJBX-UHFFFAOYSA-N 435.616 6.565 30 10 IKEE CCCCCCCCCCNC(=O)CC[C@@H]1NC(=O)N(c2cccc3ccccc23)C1=O 1873936593 JMTFXCGZDXRGKS-QFIPXVFZSA-N 437.584 5.302 30 10 IKEE C=CCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccco1 1874194117 YLLGRWLQGVKBQJ-OEAKJJBVSA-N 430.961 5.313 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1/N=C/c1ccco1 1874194837 JVXTWXRQPOVWFO-PCLIKHOPSA-N 438.597 5.731 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1cc(C)ccc1O 1874213722 BSSUECHRMCIROG-BUVRLJJBSA-N 442.972 5.117 30 10 IKEE CCCCOc1ccc(/C=N/n2c(Cc3ccc(Cl)cc3)nnc2SCC)cc1 1874339983 XCDWQNVILQPLKU-LFVJCYFKSA-N 428.989 5.695 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccccc1F 1874393836 BOCKVRJUNGFREM-JEWIKEISSA-N 434.515 5.883 30 10 IKEE C=C(C)CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874395836 WTPLMKIHIZWHIZ-ZIFAQYRBSA-N 442.972 5.348 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(Cc2cccs2)n1/N=C/c1ccccn1 1874415110 YUWKKMYWOMPWQJ-WYMPLXKRSA-N 443.960 5.292 30 10 IKEE Cn1cccc1/C=N/n1c(Cc2ccccc2)nnc1SCc1cccc2ccccc12 1874419104 YMDCQFROPFTLRR-OVVQPSECSA-N 437.572 5.535 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3cccs3)n2/N=C/c2ccc(F)cc2F)c1 1874422666 YHGJJYDYQWDLGM-BRJLIKDPSA-N 440.544 6.076 30 10 IKEE COC(=O)c1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2-c2ccccc2)cc1 1874426533 MXUJOHGNMDDAJW-WGOQTCKBSA-N 442.544 5.215 30 10 IKEE Cn1cccc1/C=N/n1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccccc1 1874430517 LYNGIZQSGUEMCF-ZMOGYAJESA-N 442.375 5.765 30 10 IKEE Cc1cccc(CSc2nnc(CC(C)(C)C)n2/N=C/c2ccc3c(c2)OCCO3)c1 1874437905 ZKCPLSLJJNLOIA-MFKUBSTISA-N 436.581 5.121 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccco3)n2/N=C/c2ccc(C(C)(C)C)cc2)c1 1874466287 WMCDBUYFAYLFGC-WGOQTCKBSA-N 430.577 6.319 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C/c1cccc(OC)c1OCC 1874477400 YQTADWZFGJTNKI-MFKUBSTISA-N 442.560 5.342 30 10 IKEE Cc1ccsc1/C=N/n1c(CC(C)C)nnc1SCC(=O)Nc1cccc(C)c1C 1874488852 MFXWCFKAGBCDFP-FSJBWODESA-N 441.626 5.076 30 10 IKEE COc1cccc(/C=N/n2c(S)nnc2C(C)(C)C)c1OCc1c(F)cccc1Cl 1874559288 IVBPQBOEMIZEPA-BHGWPJFGSA-N 448.951 5.127 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc3ccccc3c2)c1OCc1ccc(F)cc1 1874571236 CMYJICJGTUFRQC-JLHYYAGUSA-N 446.905 7.116 30 10 IKEE C=C(C)COc1ccc(Br)cc1/C=C/C(=O)c1ccc(Br)cc1 1874574652 XZWYHKFIOPMRCI-WEVVVXLNSA-N 436.143 6.063 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(OC)c1OCc1cccc(C)c1 1874604817 GWHKJIJCHJCTIP-DTQAZKPQSA-N 426.556 6.770 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OCc1cccc2ccccc12 1874625261 UXTOMFJEUUYPJF-NTEUORMPSA-N 446.905 7.116 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1C(C)C 1874627841 YZIPTYUDCVEKPX-NTCAYCPXSA-N 443.543 6.041 30 10 IKEE COc1ccccc1OCC(=O)Oc1cccc(/C=C/C(=O)c2ccc3ccccc3c2)c1 1874693452 GKNRJFLPYNSJAK-DTQAZKPQSA-N 438.479 5.729 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1OC(=O)c1ccccc1C 1874693784 WAIFONOTRCJBGU-RVDMUPIBSA-N 426.512 5.998 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1OC(=O)c1ccc(F)c(F)c1 1874693838 YOFYWCQRIMTJHM-WUXMJOGZSA-N 448.465 5.968 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccc(N(C)C)cc2)c1 1874713249 NFBPIIHUPJLKRL-NTEUORMPSA-N 429.516 5.493 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OC(C)=O)cc3)cc2)cc1 1875105867 QBMYFBGRHAGGHI-VXLYETTFSA-N 442.511 6.070 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CSc3ccccc3)c(Cl)c2)cc1 1875114564 WDTTYPZNPPHYAC-NTUHNPAUSA-N 438.932 5.942 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)cc1 1875117666 GZNTXFGJUVYPLF-BUDOKORBSA-N 444.527 6.088 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc([N+](=O)[O-])c1OC(=O)C1CCC1 1875124127 BIBKQAWNVPQAJC-MDZDMXLPSA-N 429.856 5.249 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3ccccc3Cl)cc2)c(C)c1 1875131198 MCCXROXIAQZIML-FOWTUZBSSA-N 448.946 6.618 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)CC(C)(C)C 1875132964 WXKVREIFGHREEK-UXBLZVDNSA-N 435.347 6.630 30 10 IKEE COCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1Br 1875135203 FUYRUOBGDPNRDT-QHHAFSJGSA-N 444.108 5.204 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC(=O)CCOc1ccccc1 1875144020 BTJSRGHIOIJLTC-ZRDIBKRKSA-N 446.499 5.283 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC(=O)CC(C)(C)C 1875151582 RVFUCCHRJIVYRQ-CSKARUKUSA-N 436.504 5.390 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)c3ccco3)c(OC)c2)c1 1875172610 DMUXTNSTUBGZGI-DHZHZOJOSA-N 436.460 5.201 30 10 IKEE N#Cc1ccc(OC2CCN(C(=O)[C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 1892319400 BOHKDMBALMJDFQ-RUZDIDTESA-N 430.935 5.414 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)OC(C)(C)C 1922113031 PPGOIBHWWVQDMH-YCAMKHIRSA-N 428.617 5.163 30 10 IKEE C[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)[C@H](C)CN1C(=O)OC(C)(C)C 1944375140 DSMKJLAYOOCYEV-QZTZHPFYSA-N 435.609 5.484 30 10 IKEE CCCCCCCC1(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)CC1 1952074547 ZTOIQFHFQQYPMG-RUZDIDTESA-N 449.591 6.509 30 10 IKEE C=CCCN(Cc1ccccc1)c1ncc(C(F)(F)F)cc1I 1986890478 NTVFGTAHJOCHPD-UHFFFAOYSA-N 432.227 5.288 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@@H](C#N)[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2017953983 FBLXRTYMBADOHW-HKUYNNGSSA-N 429.561 5.356 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@H](NC(=O)OC(C)(C)C)C(C)C)cc1 2028028733 XFHVVQKTOHIJFE-DVECYGJZSA-N 447.576 5.268 30 10 IKEE C=CCn1c2ccccc2n2nc(C)c(C(=O)C=Cc3cccc(OC)c3OC(C)C)c12 2042448936 JPNYFBISCKGSCB-UHFFFAOYSA-N 429.520 5.475 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C1(C)C 2053052463 QDLBVRBANURVJO-FYSMJZIKSA-N 447.551 5.400 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)ccc1Br)NCCC 2063098836 JXBZGXMYHVLPRO-DLBZAZTESA-N 431.802 5.093 30 10 IKEE Cc1cc(C)c([C@H](n2nc(C)c(C=NO)c2I)C(C)(C)C)c(C)c1 2079957562 LKBADJOOAQOXPF-KRWDZBQOSA-N 439.341 5.165 30 10 IKEE CC(C)Oc1ccc([C@H](C2CC2)n2nc(C3(C)CC3)c(C=NO)c2Br)cc1 2080057868 PLSRGDXJIWFSBA-SFHVURJKSA-N 432.362 5.292 30 10 IKEE CCCOc1ccc([C@H](n2nc(C(C)(C)C)c(C=NO)c2Br)C2(C)CC2)cc1 2080078027 NEZHRKHUTMSOBR-IBGZPJMESA-N 448.405 5.930 30 10 IKEE COc1ccc([C@H](n2nc(C(C)(C)C)c(C=NO)c2Br)C2(C)CC2)cc1F 2080118524 VRDMXAXQBHLTDX-KRWDZBQOSA-N 438.341 5.288 30 10 IKEE CC[C@](C#N)(CCC(F)(F)F)N(C(=O)OC(C)(C)C)c1ccccc1Br 2087992399 RPWSVPPOUBSJQU-QGZVFWFLSA-N 435.284 6.205 30 10 IKEE C=C([C@H](NCCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C)C(C)(C)C 2096629894 DJLIUQXCRKPCNH-SFHVURJKSA-N 425.411 6.439 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCCOC12CCCC2 2155126193 QCSXXEAKQTVOAC-HXUWFJFHSA-N 435.362 5.576 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc(OCCNc2ccc(Br)cc2C#N)c1 2162418012 LMIYWSBDJMECSE-UHFFFAOYSA-N 432.318 5.159 30 10 IKEE N#Cc1c(F)cc(Br)cc1NC[C@@]12CCC[C@@H](CN1Cc1ccccc1)C2 2200721802 XIUDLKCPDIEPHE-VGSWGCGISA-N 428.349 5.317 30 10 IKEE COc1cc(F)ccc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2204543343 MGVCBULZFKNUME-KRWDZBQOSA-N 435.293 5.603 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(F)c(Br)c(F)c1 2207151655 QWJCPMQRFVTGPI-SJLPKXTDSA-N 447.364 5.628 30 10 IKEE N[C@H](C#Cc1ccccc1Br)c1c(Br)cccc1Br 2227472873 FYTTWLWEMIBGSG-CQSZACIVSA-N 443.964 5.026 30 10 IKEE C=C([C@@H](NC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)C(C)(C)C 2229109071 FGADKHQVDJMENJ-QZTJIDSGSA-N 425.411 5.075 30 10 IKEE CCCCCCCC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2229112670 SJUPOKJQOJMQMT-SFHVURJKSA-N 426.395 5.815 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)c1cccc(NC(=O)OC(C)(C)C)c1 2235724110 VJCDLXBSQBOADX-FQEVSTJZSA-N 429.358 5.498 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1c(F)ccc(F)c1F 2239728282 JNZYAGRPLMHDBW-OAHLLOKOSA-N 441.247 5.873 30 10 IKEE Cc1csc(C(=O)N(Cc2ccccc2)[C@H](C)C(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255634749 URWVDFUBVKZXFW-GOSISDBHSA-N 441.446 5.433 30 10 IKEE CCC#CC[C@@H](OCCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2276539658 RHUQOIOUIZIQEJ-HHHXNRCGSA-N 443.587 6.055 30 10 IKEE C=CCN(CC(=C)Br)C(=O)CCCCCCCCCNC(=O)OC(C)(C)C 2284882323 LNZJRDTVWMKELS-UHFFFAOYSA-N 445.442 5.555 30 10 IKEE Cc1ccc2nc(N3C(=O)C(=O)C(=C(O)c4ccccc4)[C@H]3c3ccccc3)sc2c1 2296135958 KHRNUCZVOCCLJL-OAQYLSRUSA-N 426.497 5.231 30 10 IKEE O=C(C=Cc1ccc(-c2ccc(Br)cc2)o1)c1ccc(-c2ccc(F)cc2)o1 2296817778 VVMMJVNRTLPNFU-UHFFFAOYSA-N 437.264 7.004 30 10 IKEE O=C(C=CC1=NN(c2ccccc2)[C@H](c2ccccc2)C1)c1ccc(Br)cc1 2297212650 SHRIWFBMSXEZQC-QHCPKHFHSA-N 431.333 6.196 30 10 IKEE Cc1cccc(SC(=NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2)c1 2297450249 BOFUPXFEXBFWCH-UHFFFAOYSA-N 446.391 5.685 30 10 IKEE CCCCCCCOc1cccc(C=C[C@]23NC(=O)CCN2c2ccc(C)cc2C3(C)C)c1 2297475942 GZOLCLJYUZVNFN-LJAQVGFWSA-N 446.635 6.371 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCC(=O)N[C@@H](C)c3ccccc3)nnc2C2CC2)cc1 2320895019 DHLFRVZBBMHHSB-SFHVURJKSA-N 447.608 5.131 30 10 IKEE C=C(C)CSc1nnc(CC)n1N=Cc1ccc(OCCc2ccccc2)c(OC)c1 2321004390 RHPYOCSWZUIARS-UHFFFAOYSA-N 436.581 5.021 30 10 IKEE Fc1ccc(Br)cc1C=Nn1cnnc1SCc1cccc2ccccc12 2321306676 JSEOVEUILPWVOU-UHFFFAOYSA-N 441.329 5.507 30 10 IKEE Cc1ccc(NC(=O)COc2ccccc2C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1 2322288830 HXZRBKPRCLJFSO-UHFFFAOYSA-N 447.534 6.576 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2cc(C)cc(C)c2)cc1 2322456008 RKKJBCLSXTYQOY-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE Cc1ccc(C(=O)C=Cc2c(OCC(=O)NCc3ccco3)ccc3ccccc23)c(C)c1 2322572600 JZTGYQIKILSKBZ-UHFFFAOYSA-N 439.511 5.641 30 10 IKEE CCN(CC)C(=O)COc1ccccc1C=CC(=O)c1cc(Cl)cc(Cl)c1OC 2322828303 QOSUUABJPZMIRQ-UHFFFAOYSA-N 436.335 5.145 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2)C3=O)cc1OC 2323097826 IJDWVMUYAUATBE-UHFFFAOYSA-N 444.483 5.167 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2Cl)cc(OC)c1OCCc1ccccc1 2323626783 WPQOEQAVIDCOCB-UHFFFAOYSA-N 432.947 6.595 30 10 IKEE Cc1cc(OC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1ccccn1)O2 2323711022 QSXFSJYBBWQOKC-UHFFFAOYSA-N 449.890 5.423 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1cccc(Cl)c1 2323780789 SCQHCCYOTPKLDF-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Br)c1OCc1ccccc1F 2323813503 UBJWDJRFDLSYFJ-UHFFFAOYSA-N 441.296 6.072 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OCc3c(F)cccc3Cl)cc2)c1 2324014384 MNCMJHPUEMRSTH-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OCc3ccccc3F)c([N+](=O)[O-])c2)c1C 2324349137 ZCYMVOSEGYRZJX-UHFFFAOYSA-N 433.479 6.443 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OCc1ccc(Cl)cc1 2324381364 FVDGTODCZUEOEO-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc(Cl)c1OCC(=O)OC 2324581236 GXRVMKZVBWGDRN-UHFFFAOYSA-N 444.955 5.793 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(C)cc3)n2)c1 2324736378 VSWGVNVVBWRVSJ-NRFANRHFSA-N 432.545 5.806 30 10 IKEE COc1cccc(C(=O)C=Cc2cccc(OC(=O)[C@H]3C[C@H]3c3ccccc3Cl)c2)c1 2325707945 IWHJKRCDISVPSD-GOTSBHOMSA-N 432.903 5.954 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2OC)cc1OC(=O)C12CC3CC(CC(C3)C1)C2 2325723223 ASRGBCLWTLMSBS-UHFFFAOYSA-N 446.543 5.722 30 10 IKEE CSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1c(F)cccc1Cl 2326358167 GYBOADGVRCVCRH-UHFFFAOYSA-N 432.952 5.303 30 10 IKEE CCOc1c(Cl)cc(C=Nn2cnnc2SCc2cc(C)cc(C)c2)cc1Cl 2326396466 GJGWBEAEIIAWLR-UHFFFAOYSA-N 435.380 5.775 30 10 IKEE CCCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccccc1C(=O)O 2326606519 MUQHJPGFFNDSKQ-UHFFFAOYSA-N 444.560 5.299 30 10 IKEE Cc1cccc(CSc2nnc(CCCOc3cccc(C)c3)n2N=Cc2ccc[nH]2)c1 2326976259 BIBOQXUWDWYAKT-UHFFFAOYSA-N 445.592 5.409 30 10 IKEE CCCCOc1ccc(C=Nn2c(COc3ccc(C)cc3C)nnc2SCC)cc1 2328893445 VPCKIGPJSOBRFS-UHFFFAOYSA-N 438.597 5.647 30 10 IKEE Cc1ccc(C=Nn2c(COc3ccc(C)cc3C)nnc2SCc2ccccc2)cc1 2328898907 WDTFUSOVZNATTR-UHFFFAOYSA-N 442.588 5.957 30 10 IKEE Cc1ccc(CSc2nnc(CCOc3ccccc3)n2N=Cc2ccccc2C)cc1 2329148718 FIACCZPWGMHRDX-UHFFFAOYSA-N 442.588 5.691 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3Cl)n2N=Cc2ccccc2)cc1C 2329430347 ODWKHGWWJXZXFM-UHFFFAOYSA-N 447.007 6.314 30 10 IKEE COc1ccc(C=Nn2c(SCCc3ccccc3)nnc2[C@@H](C)c2ccccc2)cc1 2330110659 ZPHFYXVZISCZBR-FQEVSTJZSA-N 442.588 5.656 30 10 IKEE Fc1cccc(CSc2nnc(Cc3cccs3)n2N=Cc2ccccc2F)c1 2330358860 ORLXEDXHSHZNDC-UHFFFAOYSA-N 426.517 5.383 30 10 IKEE C=CCSc1nnc([C@H]2CCCO2)n1N=Cc1ccc(OCCCCCC)c(OC)c1 2330975429 ITCVGVPHAVLNLZ-HXUWFJFHSA-N 444.601 5.258 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)ccc1OC(=O)Cc1cc(C)ccc1C 2330977000 NTXOWWLMAVBETH-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CC)c(OCC)c2)cc1OCCC 2331114411 NLFFNCIRYJCRNZ-UHFFFAOYSA-N 440.536 5.874 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OC(=O)CCc1ccccc1C 2331136404 VTCNZXBMBBYEPZ-UHFFFAOYSA-N 434.919 6.091 30 10 IKEE C=CCSc1nnc(-c2ccco2)n1N=Cc1ccc(OCc2ccc(C)cc2)cc1 2331215816 CLPNXRBJCXIKDF-UHFFFAOYSA-N 430.533 5.586 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CCC)c(Br)c2)cc1 2331304988 BDWCNQVVYHMJIQ-UHFFFAOYSA-N 431.326 5.840 30 10 IKEE COCCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccccc1C 2331307168 NDRPQEIZKUETQL-UHFFFAOYSA-N 435.380 5.257 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(C)c3)c(OC)c2)cc1 2331311861 FWPSMERFKQNRJT-UHFFFAOYSA-N 430.500 5.908 30 10 IKEE CCOc1c(C=Nn2c(SCc3ccc(F)cc3)nnc2C2CCC2)cccc1OC 2331493031 NPZDBNGKRPSDBX-UHFFFAOYSA-N 440.544 5.267 30 10 IKEE CCCCCOc1ccc(C=Nn2c(COC)nnc2SCc2cccc(F)c2)cc1 2331563323 BEGUAWGBRJGSCM-UHFFFAOYSA-N 442.560 5.307 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)cc2)cc1C 2331704789 HMOXPGRHYLZPPO-UHFFFAOYSA-N 444.487 5.393 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)cc3OC)cc2)cc1 2331716864 FEPPELWQYQTLCU-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2ccccc2Cl)cc1 2331752437 IRVKWJGDMAOWLE-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)c(OC)cc2C)ccc1OC(=O)c1ccccc1 2331852611 UNEXGUAZQDUSRY-UHFFFAOYSA-N 430.500 5.826 30 10 IKEE C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339579068 QAJCTRJUXVPWRX-OFNKIYASSA-N 433.405 5.049 30 10 IKEE CN[C@@H](C#Cc1ccccc1Br)c1ccc(NC(=O)OC(C)(C)C)cc1Cl 2361047234 NNHLGUQHFNABFA-IBGZPJMESA-N 449.776 5.762 30 10 IKEE CO[C@H](C#C[C@@H](O)c1cc(NC(=O)OC(C)(C)C)ccc1Br)C1CCCC1 2369515030 IJVWSBBZZKCFLL-RTBURBONSA-N 438.362 5.038 30 10 IKEE CCc1c(C)sc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccco2)N3)c1C#N 2475871 HRCMLIAHSZCVTI-CZUORRHYSA-N 449.458 5.193 30 10 IKEE COc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1O 9601030 NKJHSBJSERJWFG-JRPXNJEYSA-N 447.534 6.621 30 10 IKEE C=C(C)COc1ccc(NC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc1 9813728 DGYOFMFXXAIRTE-UHFFFAOYSA-N 432.358 6.081 30 10 IKEE Fc1ccc(/C=N/c2cccc(C3=NN(c4ccccc4)[C@@H](c4ccc(F)cc4)C3)c2)cc1 15773311 HISFAHOUMMJLJL-RYBVODPGSA-N 437.493 7.071 30 10 IKEE CCc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(Cl)ccc2O)cc1 20881551 OKKLWSGHFNFHER-MYUZEXMDSA-N 444.962 6.588 30 10 IKEE CC(C)(C)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)cc1 21220907 MOTWRDYFKMUVBU-PIIWDFAUSA-N 440.562 7.103 30 10 IKEE CCc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2[N+](=O)[O-])cc1 21221847 WKNXZADKFZZMJR-XHCCPWGMSA-N 439.515 6.137 30 10 IKEE O=C(/C=C\C1=NN(c2ccccc2)[C@H](c2ccccc2)C1)c1ccc(Br)cc1 33246758 SHRIWFBMSXEZQC-VJVQGEDVSA-N 431.333 6.196 30 10 IKEE CC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C\c3ccc(Br)cc3)c2C#N)C1 34864785 IWAOPYIYVVRETN-FTXNUJCXSA-N 443.410 6.185 30 10 IKEE O=C1/C(=C/c2cccc([N+](=O)[O-])c2)S/C(=N/c2ccncc2Cl)N1C1CCCCC1 39864632 UXLGMDAAGUYPJH-FAXOLUSMSA-N 442.928 5.580 30 10 IKEE C=CCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2[C@@H]1c1ccc(OCCCCC)cc1 39910795 FPDHAHUIUOSRPI-QHCPKHFHSA-N 431.532 5.710 30 10 IKEE C=CCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2[C@H]1c1ccc(OCCCCCC)cc1 39910832 RKTKETORNBLDDO-XMMPIXPASA-N 445.559 6.100 30 10 IKEE C=C(C)COc1ccccc1NCC(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1 66062941 QBBZWRXZQIPSGV-FQEVSTJZSA-N 443.547 5.183 30 10 IKEE CCCCCCCCCCCCCCCCNCC(=O)Nc1ccc(OC(C)C)cc1 100055705 SOOSETFWTJMREJ-UHFFFAOYSA-N 432.693 7.483 30 10 IKEE CCCCCCCOc1ccc(NC(=O)CNc2cccc(C(=O)N(CC)CC)c2)cc1 100097530 SNPINWUVNCXUFJ-UHFFFAOYSA-N 439.600 5.568 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(NC[C@@H]2CCCO2)c1N 101501817 IFRLYNXVIQBIIL-QFIPXVFZSA-N 433.685 6.543 30 10 IKEE O=c1c(/C=N\Cc2ccccc2Cl)c(NCc2ccccc2Cl)nc2ccccn12 102845691 KDEACMWERYGTRD-YSMPRRRNSA-N 437.330 5.233 30 10 IKEE CCCCCCCCC(=O)N1CCN(c2nc(C3CC3)nc3sc(C)c(C)c23)CC1 102996141 VACAQHZYAVJWPY-UHFFFAOYSA-N 428.646 5.585 30 10 IKEE Cc1ccc(/N=C2\NC(=O)S\C2=C\c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 110566136 AUZWCGFZVLFEDS-XQNSMLJCSA-N 436.540 6.375 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2c2cccc(C)c2)cc1 169922993 PNTRPVMBPTWQGE-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2cc(C)ccc2C)cc1 169924841 FZTMBAFWKWNAGP-OAQYLSRUSA-N 448.544 5.168 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1c1cc(C)ccc1C 169943675 GBTPTCIDIADYPH-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE CC(C)Oc1cccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2C2CCCC2)c1 169981413 IZUCIPLZJHXNET-XMMPIXPASA-N 445.515 5.741 30 10 IKEE CCCCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccccn2)cc1 169993598 AFCYTVIXTKQVAY-XMMPIXPASA-N 426.516 5.516 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@H]2c2ccncc2)cc1C 170016996 CUHAHGWTKBHEHN-DEOSSOPVSA-N 440.543 5.779 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2C2CCCCC2)c1 170039527 FNAGQWQXVITZGF-RUZDIDTESA-N 433.548 5.315 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccccc2)c1 170047640 FDVJNPZXNYZGGQ-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccccc2)s1 170049122 BJWAJFNMLCCDNJ-NRFANRHFSA-N 432.545 5.666 30 10 IKEE CCCCCCCCCCN1C(=O)C(SCc2ccco2)=C(c2ccc(C)cc2)C1=O 170076997 FEBNXVCKFQHREY-UHFFFAOYSA-N 439.621 6.742 30 10 IKEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4ccc(C)c(C)c4)[C@H]3c3ccc(C)o3)nc2c1 170103562 GAJPGWJFDNMXOP-JOCHJYFZSA-N 441.487 5.172 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)cc4)[C@H]3c3cccs3)oc12 170155954 VEVDVFQCINPMKG-FQEVSTJZSA-N 449.459 5.425 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccccc2)c1 170221464 XSEWJNFZIWMXRD-DEOSSOPVSA-N 443.499 5.265 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccccc1 170230805 ZNUJMCXFCRRFQE-XMMPIXPASA-N 440.543 5.466 30 10 IKEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@H]1c1ccccc1)c1cc2ccccc2o1 170234595 XHZSPHNWBBVUGP-QFIPXVFZSA-N 435.439 5.092 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccc(O)c2)ccc1Cl 170258366 FCLGZJAGVYMOJS-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccc(O)c2)c1 170259105 KFSGIDCMOVFUPA-DEOSSOPVSA-N 443.499 5.210 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccc(O)c2)c1 170259918 JCKVATMAPKIVOI-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2ccc(C)o2)cc1 170304191 KQGDNHLUJSVDDI-QHCPKHFHSA-N 447.487 5.168 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C(C)C)cc2)cc1 170360392 PSJBZPLEOKQRMB-QHCPKHFHSA-N 431.488 5.585 30 10 IKEE Cn1cc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(Cl)cc2)c2ccccc21 170395729 LBSRYYDSHALUCC-JOCHJYFZSA-N 443.890 5.010 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cc(C)ccc2C)ccc1OC 170440264 LPZOSKXCIUCIGC-JOCHJYFZSA-N 437.536 5.226 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cccc(Cl)c2)cc1 170453863 PPCXKSPWSKPTHU-NRFANRHFSA-N 440.971 5.701 30 10 IKEE COc1ccc(CN2C(=O)O[C@@](C#CC3CC3)(C(F)(F)F)c3cc(Cl)ccc32)cc1 197715054 BKYROQXKHLSLOS-OAQYLSRUSA-N 435.829 5.676 30 10 IKEE CCCC[C@@H]1S/C(=N/N=C/c2cccc3ccccc23)N(Cc2ccccc2C)C1=O 229295685 QPSMUHWMGMTHMJ-QITWFEPBSA-N 429.589 6.173 30 10 IKEE Cc1ccc2c(c1)c1c3n2CCN(CC(=NO)c2ccc(Br)cc2)[C@@H]3CCC1 252600904 DVMIVQQSTIZTJJ-JOCHJYFZSA-N 438.369 5.284 30 10 IKEE Cc1ccccc1N=C1SCC(C)(C)N1C(=O)c1ccccc1OCc1ccccc1 254289023 DQZLRGAVJKENHY-UHFFFAOYSA-N 430.573 6.229 30 10 IKEE C=C1SC(=Nc2ccccc2OC)N(C(=O)c2cccc(Cl)c2)C12CCCCC2 254843463 VVWBPVCTFYFBAU-UHFFFAOYSA-N 426.969 6.442 30 10 IKEE CCCCCCCC/C=C\CCCCCCCC(=O)O[Sn](C)(C)O 256797731 JBAMFOMSPHAMIA-HKIWRJGFSA-L 447.248 6.261 30 10 IKEE CC1(C)OB(c2cc(F)cc(CN(Cc3ccccc3)Cc3ccccc3)c2)OC1(C)C 379453034 LLHWSDPWBYVSBR-UHFFFAOYSA-N 431.360 5.327 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1/N=C\c1cccc(OCC(C)C)c1 526803570 ARKINMDUXSXBIP-YSMPRRRNSA-N 440.588 5.969 30 10 IKEE CC(C)(C)c1ccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2cccs2)cc1 526806555 JPEHWJKNTVWENQ-ONUIUJJFSA-N 446.645 6.402 30 10 IKEE CCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccc(OC(C)C)c(OC)c1 526811359 IVDDWXIQUBKBNY-CFRMEGHHSA-N 444.988 5.464 30 10 IKEE CCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1cc(Cl)c(OC)c(OC)c1 526811521 MQANLDGFPNIVAZ-MSXFZWOLSA-N 444.988 5.302 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1ccc(OC(C)C)cc1 526824077 JAOOOXHBBGMDGC-MSXFZWOLSA-N 449.407 6.109 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1ccccc1OC 526824157 NCVBSSLUOPWDQT-CFRMEGHHSA-N 449.407 6.111 30 10 IKEE C=C(C)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586241220 KZWUYBFSHUXBCM-UHFFFAOYSA-N 435.170 5.527 30 10 IKEE COc1cccc(N=C(C=C2N(C)c3ccccc3N2C)SCc2ccc(C)cc2)c1 588055448 WGYCIRSKDDMZLC-UHFFFAOYSA-N 429.589 6.395 30 10 IKEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1ccccc1-c1ccc(Cl)cc1 610051219 DBIOWIAOKHSNAW-QGZVFWFLSA-N 433.939 5.406 30 10 IKEE CCCCCCCCCC[C@@H](O)c1ccc(Br)cc1NC(=O)OC(C)(C)C 696383152 XCTQQFBYFGUWRA-HXUWFJFHSA-N 442.438 7.360 30 10 IKEE Cc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)cc1Cl 698452274 PVCOWYCUVBFJFD-GOSISDBHSA-N 435.749 6.417 30 10 IKEE N#CCn1cc(C=Nc2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c2ccccc21 1084326057 WZESJRJHUCBHMJ-UHFFFAOYSA-N 438.556 6.108 30 10 IKEE Cc1ccc(-c2nc(N=Cc3ccc(Cl)cc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 1084361223 LUTFTMNUMSNOBQ-UHFFFAOYSA-N 433.920 7.098 30 10 IKEE Oc1ccc(C=Nc2ccc(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)cc2)cc1 1084564122 GQBAZTXEGVHPAU-UHFFFAOYSA-N 427.291 5.693 30 10 IKEE O=C1/C(=C/c2ccc[nH]2)SC(=Nc2nc(-c3ccccc3)cs2)N1C1CCCCC1 1772735069 GOTJEBUYZYDFCU-QNPCYTEQSA-N 434.590 6.075 30 10 IKEE CC(=C/c1ccccc1)/C=C1\SC(=Nc2ccncc2Cl)N(C2CCCCC2)C1=O 1772737290 OMFATYUEJIXTST-HCJXKAKRSA-N 437.996 6.618 30 10 IKEE Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)oc2c1C(=NNc1ccc([N+](=O)[O-])cc1)CCC2 1772747584 NBQCLTJXPXJOKN-HNNXBMFYSA-N 444.491 5.240 30 10 IKEE CC(C)(C)c1nc2ccc(C(=O)Nc3cccc(C(=O)Nc4ccc(C#N)cc4)c3)cc2[nH]1 1859119701 BEUPOKZVVIMYDU-UHFFFAOYSA-N 437.503 5.237 30 10 IKEE Cc1ccc2c(=O)cc(C(=O)Nc3oc(-c4ccccc4)c(-c4ccccc4)c3C#N)oc2c1 1859743688 DBQSNSQPYVOWOQ-UHFFFAOYSA-N 446.462 6.152 30 10 IKEE CC[C@H](C)N(C(=O)/C=C/c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1859899387 NLRIZMMAUGQNJW-PPGNKHEKSA-N 433.367 6.708 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)c1ccccc1C(F)(F)F 1861042615 SFECVDJAEYPVHJ-FQEVSTJZSA-N 428.539 5.861 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc2ccccc2[nH]1 1861390243 GPGHRDDAIXGVBB-RUZDIDTESA-N 447.623 5.766 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)c1ccc2nc(CCC)[nH]c2c1 1861454646 XECANTBRUSCAHF-FQEVSTJZSA-N 428.621 5.281 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2Cl)cc1 1862391895 KTOAENYHFKWONY-QHCPKHFHSA-N 449.934 6.054 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1cccc(C)c1 1862411479 IQPVIAVFQFEKOF-QFIPXVFZSA-N 443.490 5.058 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCc2cccs2)c1 1862429494 OSGJWGLRFCXSQR-NRFANRHFSA-N 437.948 5.531 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@H]2c2cccc(F)c2)cc1 1862474279 LYEXQBCLJNNTMJ-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C(=O)O)cc1 1862478727 PFUNTYCZWHBHAN-QHCPKHFHSA-N 449.547 5.632 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@H]2c2cccc(F)c2)c1 1862488930 LPYKSCAWKCNRHC-DEOSSOPVSA-N 445.490 5.100 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 1862492357 PQRKRXMPLSNNPM-OAQYLSRUSA-N 448.500 5.052 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(Cl)c(Cl)c1 1862498444 IUJXSFMNLPEMQI-VLIAUNLRSA-N 432.347 5.987 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@H]1c1ccc(F)cc1F 1862515509 CEZBDIQZKTUOJG-JOCHJYFZSA-N 443.490 5.522 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccc(C)cc2)cc1 1862534558 VUJSUKKHBXBAJY-XMMPIXPASA-N 445.946 5.989 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cc(Cl)cc(Cl)c1 1862554214 XTWGFCQJOLZYDS-FQEVSTJZSA-N 430.331 5.470 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CCCC2)ccc1O 1862669217 QQWSIZXXDQWTSV-XMMPIXPASA-N 449.547 5.435 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc(Cl)c1 1862675380 JIWQBHONQBLTPW-MMACOIQUSA-N 427.903 5.636 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc(O)c1 1862688416 XDOQEYAAKQIRNT-HSZRJFAPSA-N 437.536 5.340 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccccc2C)c1 1862713566 RACTWOWYASJESN-HHHXNRCGSA-N 447.534 6.235 30 10 IKEE CCCCCCCCNC1=C(c2ccc(Br)cc2)C(=O)N(CCCCC)C1=O 1863555604 YNZGRFFPIXIVQP-UHFFFAOYSA-N 449.433 5.669 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccco2)=C(c2cc(Cl)ccc2Cl)C1=O 1863730316 WHWXTLZCLWLVLE-UHFFFAOYSA-N 449.378 5.817 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1[nH]c(C)cc1C(=O)OCC 1866032195 FUCRCGHLOOKDDU-UHFFFAOYSA-N 434.665 7.700 30 10 IKEE Cc1nc(Nc2ccc(C#N)cc2)cc(N2CCC[C@@H](C(=O)CCCc3ccccc3)C2)n1 1868494833 WSMKSLOVSNCYQG-HSZRJFAPSA-N 439.563 5.209 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC(Oc3ccc(Cl)cc3)CC2)nc(C(C)C)n1 1869092591 XUKFCNICRVJOCU-UHFFFAOYSA-N 426.992 5.480 30 10 IKEE CCCc1ccc(OCC(=O)Nc2c(C#N)nnn2-c2cc(C(C)C)cc(C(C)C)c2)cc1 1870146069 BUCCCCIQRDEGKP-UHFFFAOYSA-N 445.567 5.356 30 10 IKEE N#Cc1nnn(-c2ccc(Nc3ccccc3)cc2)c1NC(=O)c1cccc2ccccc12 1870152825 MTMDRRVEULUSFB-UHFFFAOYSA-N 430.471 5.288 30 10 IKEE CCCCCCCCn1cc(OCCOC(C)C)c(=O)cc1CN1C[C@@H](C)C[C@@H](C)C1 1870541023 ZLCTZHANWPSSDC-ZRZAMGCNSA-N 434.665 5.491 30 10 IKEE C=CCOc1cn(CCCCc2ccccc2)c(CNc2ccc(F)c(Cl)c2)cc1=O 1870809544 ITCIKUSKOWHXCU-UHFFFAOYSA-N 440.946 5.841 30 10 IKEE CCCCCCCCCCn1cc(OCCC)c(=O)cc1CNc1ccc(C)c(F)c1 1871106443 OAFMYHDDFVNDER-UHFFFAOYSA-N 430.608 6.837 30 10 IKEE CCc1ccc([C@H](C)N2COc3cc(C)c4c(c3C2)O/C(=C\c2cccs2)C4=O)cc1 1871353931 BNRQNZALMWKZLQ-ICODJCHTSA-N 431.557 6.148 30 10 IKEE COc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN([C@H]3CCCC[C@@H]3C)C4)C2=O)c(OC)c1 1871355690 GTVRCVOSKIMBGP-HCCBAOPASA-N 449.547 5.359 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc(OC(=O)CCc4ccc(C)cc4)c3C)C2=O)cc1 1871367458 MQFZZOOLJSELNJ-UQQQWYQISA-N 442.511 5.857 30 10 IKEE C[C@H]1C[C@@H](C)CN(Cc2c(O)ccc3c2O/C(=C\c2ccccc2Br)C3=O)C1 1871396330 ABRQEYRUUAWLEP-SQXLMCOJSA-N 442.353 5.249 30 10 IKEE Cn1cc(/C=C2\Oc3cc(OCCCOc4ccccc4)ccc3C2=O)c2ccccc21 1871397277 JJFCQVNTHVWFPY-QQXSKIMKSA-N 425.484 5.642 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1ccc2c(c1C)O/C(=C\c1ccc(C)o1)C2=O 1871429831 ZNJYVCDJCNUMNV-AHFVYKFHSA-N 426.509 5.794 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1ccc2c(c1)O/C(=C\c1ccc(OC)cc1)C2=O 1871434487 UESJMBMOPZKLSZ-RRDPUDRWSA-N 438.520 5.592 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Cl)cc1)[C@H](C)CC)S(=O)(=O)c1cccs1 1871893209 SNUQSZWIXCDEJL-DNVCBOLYSA-N 441.018 5.022 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 1872412214 GGXAWDKAFYOGPJ-JOCHJYFZSA-N 449.016 5.413 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccccc1 1872446849 OCPDDQVGQOEXHO-XMMPIXPASA-N 442.625 5.574 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)c(C)c1 1872769659 XNYQHBIGPQRZAW-KAGYGMCKSA-N 443.572 5.213 30 10 IKEE N#C[C@H](C(=O)CCCOc1ccccc1Cl)c1nc(-c2ccc(F)c(F)c2)cs1 1872779088 BCPFVSBGCXKYBP-CQSZACIVSA-N 432.879 5.777 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Nc3ccccc3)cc2)=C(c2c(C)cc(C)cc2C)C1=O 1873330120 BDXDHRKONNGPHP-UHFFFAOYSA-N 437.543 5.733 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(F)cc2F)=C(c2ccccc2)C1=O 1873413257 TZCUXJHEPJINHL-UHFFFAOYSA-N 440.534 6.298 30 10 IKEE C=CCn1c(C(=O)N2CCCCCC2)cc2c(N(CCCC)CCCCCC)ncnc21 1873562412 BOSVSQQIGOXPLS-UHFFFAOYSA-N 439.648 5.820 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)c(F)c2)cc2c(NCc3ccc(C)cc3)ncnc21 1873641929 UBRPNCOFOUBZTQ-UHFFFAOYSA-N 429.499 5.238 30 10 IKEE C=CCn1c(C(=O)Nc2cc(Cl)ccc2C)cc2c(N(C)Cc3ccccc3)ncnc21 1873660125 BBQFFMJHXBQKPZ-UHFFFAOYSA-N 445.954 5.468 30 10 IKEE CCOc1ccc(OCc2nnc(SCc3cccc(C)c3)n2/N=C/c2ccc[nH]2)cc1 1874235079 PSENBPDUPNSJPJ-CVKSISIWSA-N 447.564 5.067 30 10 IKEE CCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1c(F)cccc1Cl 1874245856 AKZPILNWTDIIQJ-ZVHZXABRSA-N 432.952 5.385 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2cccs2)cc1 1874301799 RGUAJEMVYGCLLK-PCLIKHOPSA-N 448.617 5.812 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2/N=C/c2ccccc2)cc1C 1874359049 MLKOIPCNMUPAKD-JVWAILMASA-N 447.007 6.314 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SCC)cc1 1874375047 BRCHHYREYYFDBR-KOEQRZSOSA-N 426.561 5.571 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)cc3)n2/N=C/c2cccc(C)c2)cc1 1874386538 USPVKYGJRXSWPJ-WPWMEQJKSA-N 426.589 5.969 30 10 IKEE O=[N+]([O-])c1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCCc2ccccc2)cc1 1874408051 DERLASOKKDSIIA-XIEYBQDHSA-N 449.580 5.526 30 10 IKEE COc1cccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccc(Cl)cc2)c1 1874418772 HVIQLCFMFWQDMR-WGOQTCKBSA-N 448.979 5.705 30 10 IKEE C=CCSc1nnc(-c2cccs2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874422917 LHUFLCYMKWOFIM-LFVJCYFKSA-N 432.574 5.746 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(CC(C)(C)C)n2/N=C/c2ccccc2)c1 1874437760 QZYBRSGWCVGCQE-MFKUBSTISA-N 435.597 5.097 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2[C@@H]2CCCO2)c1 1874451833 RAEKWKRLIZSTSF-AZCDICLMSA-N 446.935 5.111 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccco2)c1 1874465902 HMSPPOLMGUCYAQ-OEAKJJBVSA-N 449.492 5.020 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C(C)(C)C)cc1O 1874486045 YPTQCNIOQJFIGJ-FSJBWODESA-N 430.961 5.118 30 10 IKEE CCOc1cc(/C=N/n2c(CC(C)C)nnc2SCc2ccccc2Cl)ccc1O 1874490114 ABARGIPKPMTFCN-ZMOGYAJESA-N 444.988 5.409 30 10 IKEE COC(=O)c1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CCC2)cc1 1874495971 OGHKMRWOSCMREI-ZMOGYAJESA-N 440.956 5.160 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2C(C)C)cc1 1874513591 GXAWIMRLCMACSY-WGOQTCKBSA-N 436.625 6.372 30 10 IKEE Cc1ccc(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1C 1874571939 OGWFFEBJYQZVLA-JQIJEIRASA-N 439.555 6.096 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(C)c2)cc1 1874572234 CHWWGTZPYTXTSI-JLHYYAGUSA-N 447.962 6.433 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C(C)C)cc2)c1OCc1ccc([N+](=O)[O-])cc1 1874583809 HHXOBVVXTWXXHQ-DTQAZKPQSA-N 431.488 6.202 30 10 IKEE COc1cc(Br)cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)c1OC 1874586332 JBRWFZBCOPKVGO-JLHYYAGUSA-N 439.305 6.155 30 10 IKEE COc1cc(C(=O)/C=C/c2ccccc2OCc2cccc(Cl)c2)c(OC)cc1Cl 1874587430 MIIRGSQJULLBKE-ZHACJKMWSA-N 443.326 6.486 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1 1874594231 ZIUNMELWKZGGGH-NTEUORMPSA-N 443.543 5.788 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OCC(=O)Nc3cccc(C)c3C)c2)c1 1874597146 WRHCKISARBOJMK-ACCUITESSA-N 445.515 5.234 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)c(Br)c1OC 1874598324 GUVJJHHXSICGFO-GXDHUFHOSA-N 439.305 6.155 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(C)cc3)c([N+](=O)[O-])c2)cc1OC 1874603142 MUPWBWGMYCCAHU-DHZHZOJOSA-N 433.460 5.396 30 10 IKEE C=CCOc1c(OC)cc(/C=C/C(=O)c2ccc(OCCC)c(OCCC)c2)cc1OC 1874612586 BPJHYFIARPROSP-PKNBQFBNSA-N 440.536 5.742 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OCc1ccccc1Cl 1874619923 ZSRIKNARQXBKFM-ZRDIBKRKSA-N 436.935 6.531 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)c(OC)c1 1874632750 SLPYKZRTSGDJIN-VZUCSPMQSA-N 443.326 6.486 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1OC(=O)CC1CCCCC1 1874710679 HJTIYJGAHFZZRU-ZRDIBKRKSA-N 436.548 6.093 30 10 IKEE COc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3c(C)cc(C)cc3C)ccc2OC)cc1 1874716394 PVXDLIAKQDASSB-WUXMJOGZSA-N 430.500 5.744 30 10 IKEE O=C(Cc1cccs1)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1[N+](=O)[O-] 1875097523 PAHVHJXRXBVMFN-YRNVUSSQSA-N 447.512 5.579 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2OC)cc1 1875158766 LVNTZJNLAOKKDX-MKMNVTDBSA-N 434.463 5.277 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)cc3F)c(Cl)c2)cc1C 1875175593 XLTWHZSEDBXYQT-RUDMXATFSA-N 440.873 6.279 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)c1cccc(C)c1 1875182821 WQOKTLWWSSCMJK-ZHACJKMWSA-N 444.527 6.053 30 10 IKEE O[C@@H](CC#CC1CCCCC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875587748 RJZPEODGSYYHKF-NDEPHWFRSA-N 440.583 6.852 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(C)CCCC[C@@H]1NC(=O)OC(C)(C)C 1922103355 MEHOYNONIWXIDX-FXSPECFOSA-N 430.633 5.601 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@H]1Nc1ccc(C#N)cc1Br 1924913917 MPEDLLLYNTVCBD-QAPCUYQASA-N 434.378 5.206 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCC2)CC12CCCCC2 1949559452 ANUQTTSQLYCZGX-DEOSSOPVSA-N 433.593 5.382 30 10 IKEE CC1(C)OB(c2cc(Cl)cnc2N(Cc2ccccc2)Cc2ccccc2)OC1(C)C 1953336377 HERZIAIRTLPHCT-UHFFFAOYSA-N 434.776 5.241 30 10 IKEE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)c1cc(Br)ccc1C#N 1957284302 MAJIOYYEPIFWGI-UHFFFAOYSA-N 444.373 5.242 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CCC[C@]2(C#N)N(C(=O)OC(C)(C)C)c2ccccc2)C1 2032058695 GEGHIVNIEHMGHD-DMJCMNNJSA-N 441.572 5.357 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCC[C@H]2CNC(=O)OC(C)(C)C)cc1 2032225619 RMRWHKVYJCRSMW-BXKMTCNYSA-N 445.560 5.024 30 10 IKEE COc1ccc(N2C(=O)N[C@](c3ccccc3)(C(F)(F)F)SC2=NC(C)(C)C)cc1 2040465016 SAZVCVPUFLNCES-FQEVSTJZSA-N 437.487 5.528 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)[C@@H]1C(C)(C)C 2076161354 MGFVJUAFQDMTQI-UUOWRZLLSA-N 447.551 5.495 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 2082159730 CRBUAZJNYOKAKW-HHJKRLRDSA-N 443.588 5.712 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2cc(Cl)cc(Br)c2)c1 2088226814 AZSGAZNWFHFVOG-GOSISDBHSA-N 435.749 6.417 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21 2133970215 VTHREUWWTCMRFV-FEEANGJJSA-N 448.563 5.714 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@](C)(C#N)[C@@H]1C[C@H]2[C@@H](C1)C2(C)C 2149729284 OOXIWCPONAQCEQ-TVZIFOOBSA-N 433.390 6.155 30 10 IKEE C=CCCCCC[C@@H](NCC)[C@@H](O)c1scc(Br)c1Br 2150566707 KSSXIFNDYXMEBG-TZMCWYRMSA-N 425.230 5.421 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Cl)cc(Cl)c1Cl 2235594293 MDVZCWVOJWSSIT-SJLPKXTDSA-N 433.807 5.994 30 10 IKEE C#C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C 2243918659 JWWXWHBQDBMGGF-JWQCQUIFSA-N 446.591 5.104 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cccc(Cl)c1Br 2272013072 AXTOHFCPHNOERV-AEFFLSMTSA-N 443.813 5.450 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1c1ccc(Nc2c(Br)cccc2C#N)cc1 2285182341 ILOZRFJHMZCJCW-AEFFLSMTSA-N 428.330 5.445 30 10 IKEE COc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2SC(=Nc3cc(C)ccc3C)NC2=O)o1 2313514086 ZRCCYDDVIZMLMC-UHFFFAOYSA-N 449.488 5.372 30 10 IKEE Cc1csc(C#C[C@@H](N)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)n1 2316435773 WCINAYWQRJWMMF-XMMPIXPASA-N 440.568 5.661 30 10 IKEE Cc1ccc(C)c(COc2ccc3ccccc3c2C=CC(=O)c2ccc(Cl)cc2)c1 2322528434 AKGSUPVCEOJUNI-UHFFFAOYSA-N 426.943 7.585 30 10 IKEE Cc1c(OC(=O)c2cc3cc(Cl)ccc3o2)ccc2c1OC(=Cc1ccccc1)C2=O 2322846704 HCBAMHPFYNYGKW-UHFFFAOYSA-N 430.843 6.230 30 10 IKEE Cc1cc(OC(=O)[C@@H]2CCCO2)cc2c1C(=O)C(=Cc1ccc(-c3ccccc3)cc1)O2 2322927192 ZCESSXVGGMJDHQ-QFIPXVFZSA-N 426.468 5.363 30 10 IKEE CCOc1c(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc(Br)cc1OC 2322961413 OVMNWKDTHVFDET-UHFFFAOYSA-N 431.370 6.358 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3cccc(C)c3C)c2)c(OC)c1 2323283562 KWGSEKQRPZLTCK-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc1OCCc1ccccc1 2323295682 ATDSZWBMIKHEOS-UHFFFAOYSA-N 436.935 6.183 30 10 IKEE Cc1c(OC(=O)C=Cc2ccc(C(C)C)cc2)ccc2c1OC(=Cc1ccccc1F)C2=O 2323503234 AHQOVVCZVZFXAW-UHFFFAOYSA-N 442.486 6.493 30 10 IKEE O=C1C(=CC=Cc2ccccc2)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc21 2323561887 DTAFBUZNYDKSAF-UHFFFAOYSA-N 436.419 5.185 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](C)NC(=O)C=Cc1ccc(Cl)c(Cl)c1 2323603494 KZYGOKDEOSUFPA-QGZVFWFLSA-N 427.416 5.768 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)c4ccc(OC(C)=O)cc4)cc(C)c3C2=O)cc1 2323628355 WWKUGXPEKIDSOP-UHFFFAOYSA-N 442.467 5.318 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1cccc(C)c1 2323791400 AHPIYIHTTVFHLQ-UHFFFAOYSA-N 441.354 7.176 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OCc1c(F)cccc1Cl 2324010290 XDMBNDFEKKOLHA-UHFFFAOYSA-N 440.898 6.280 30 10 IKEE CCCCCCOc1cc(C)c2c(c1)OC(=Cc1ccc(OC)c(OC)c1OC)C2=O 2324261651 YADSJCILOPTYNP-UHFFFAOYSA-N 426.509 5.596 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OCc1ccc(Cl)cc1 2324434207 GEWWBFHRKZJLHE-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@@H](C#N)C(=O)C=Cc2ccc(C(C)(C)C)cc2)n1 2324725758 PAHHOWWNSWJQJG-QFIPXVFZSA-N 444.600 6.623 30 10 IKEE CCCCCOC(=O)COc1ccc2c(c1C)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2325045176 MGEVNKPDNWJEKY-UHFFFAOYSA-N 449.330 6.030 30 10 IKEE CC(C)c1ccc(C=CC(=O)Nc2c(Br)cc(C#N)cc2Br)cc1 2325129793 AOUIMSQYCZWXBO-UHFFFAOYSA-N 448.158 5.859 30 10 IKEE CN(C)c1ccc(C=CC(=O)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1 2325512583 KDCALZGBUCXPSH-UHFFFAOYSA-N 434.923 5.206 30 10 IKEE COc1ccccc1C(=O)C=Cc1cccc(OC(=O)CCCOc2cccc(C)c2)c1 2325724751 VPVJDPKCEYMYBP-UHFFFAOYSA-N 430.500 5.664 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccccc2C)C3=O)cc1Cl 2325729166 FSBZICZFMPYHSZ-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE O=C(Cc1ccc(Cl)c(Cl)c1)Oc1cccc(C=CC(=O)c2ccc(Cl)cc2)c1 2325730161 HUZFKPKVXCOXQL-UHFFFAOYSA-N 445.729 6.691 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2ccccc2)cc1OC(=O)c1ccco1 2325731908 NLHBYQXADSAUJK-UHFFFAOYSA-N 427.250 5.166 30 10 IKEE COc1ccccc1CC(=O)Oc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC 2325742253 LIZBCQQKTKCDMT-UHFFFAOYSA-N 446.499 5.065 30 10 IKEE Cc1nnc(SCc2ccccc2Cl)n1N=Cc1c(Cl)ccc(Cl)c1Cl 2326542304 GVRFENHMNGPFTB-UHFFFAOYSA-N 446.190 6.375 30 10 IKEE CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1c(Cl)cccc1Cl 2326906655 XCAJMAARUXFELZ-UHFFFAOYSA-N 449.451 6.338 30 10 IKEE Clc1ccc(OCc2nnc(SCCc3ccccc3)n2N=Cc2ccccc2)cc1 2327563099 YIZLPBHWUIUQCW-UHFFFAOYSA-N 448.979 5.728 30 10 IKEE Cc1ccccc1CSc1nnc(COc2cccc(C)c2C)n1N=Cc1cccnc1 2328821152 SBZUETUOJHRHEI-UHFFFAOYSA-N 443.576 5.352 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(Cl)c1OC(=O)c1cccnc1 2330651095 MAIKBCQBHFGYGW-UHFFFAOYSA-N 443.886 6.012 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(OC)c1OC(=O)c1ccccc1 2330658694 PBBYCTXGFMLSJU-UHFFFAOYSA-N 438.479 5.972 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccccc3)n2N=Cc2ccc(C(C)C)cc2)c1 2330673062 TURVDLBGBKHRDN-UHFFFAOYSA-N 440.616 6.860 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Cl)c(OC(=O)Cc3cccs3)c(OC)c2)c1 2330772871 GTGXZBYENJSJHD-UHFFFAOYSA-N 442.920 5.463 30 10 IKEE Oc1ccc(Cl)cc1C=Nn1c(SCc2cccc(Cl)c2)nnc1[C@H]1CCCO1 2330994442 BXVVPDKNDPKMDW-GOSISDBHSA-N 449.363 5.317 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1cccc(OC)c1 2331040527 AHXOMFYETKNXNN-UHFFFAOYSA-N 447.443 5.117 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3cccc(C)c3)nnc2C2CCCC2)c1 2331045223 MEMXAROXISHJOF-UHFFFAOYSA-N 434.609 6.207 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(F)cc1F 2331136514 QADMVCMADARJNY-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE COc1cccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2-c2ccco2)c1O 2331208287 KJOJDRWKOMXGON-UHFFFAOYSA-N 434.521 5.044 30 10 IKEE CCc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2-c2ccco2)cc1 2331236652 QNYUTWFRBBWJOB-UHFFFAOYSA-N 440.931 6.068 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2)cc1 2331316139 WBXKOGXZLVKZSA-UHFFFAOYSA-N 442.555 6.527 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(F)c2)ccc1OC(=O)c1ccc(C)c(C)c1 2331464076 WRLYZGUTMUFLCG-UHFFFAOYSA-N 448.490 5.965 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)cc(Cl)c1OC(=O)[C@H]1CCCO1 2331468447 MGPKMMKRBWWIPU-JOCHJYFZSA-N 436.891 5.482 30 10 IKEE O=C(CCCOc1ccccc1)Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1 2331469940 OQBLFQOKVAZKLG-UHFFFAOYSA-N 436.507 6.501 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)c1cccnc1 2331569443 ZEURHLKEXQPCQB-UHFFFAOYSA-N 435.426 5.212 30 10 IKEE COCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1c(Cl)cccc1Cl 2331608760 QZZWEIUNRYXRGB-UHFFFAOYSA-N 441.771 5.559 30 10 IKEE COCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccccc1F 2331611988 NPSJWIKKFYGNNE-UHFFFAOYSA-N 425.316 5.045 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1N=Cc1ccc(C(C)(C)C)cc1 2331639468 DCNVLFNGPXWIGK-UHFFFAOYSA-N 449.624 5.450 30 10 IKEE COc1cc(C(=O)C=Cc2ccc(OC(=O)c3cccs3)cc2)c(OC)cc1Cl 2331687412 GGVCFENPODSDPL-UHFFFAOYSA-N 428.893 5.534 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(C(C)C)n2N=Cc2cccc3ccccc23)o1 2331695818 GLESGWCYVWAHJT-UHFFFAOYSA-N 448.548 5.499 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)cc3OC)cc2)c1 2331716861 DUVZQBSBQHWVDT-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE Fc1cccc(CSc2nnc(C3CC3)n2N=Cc2cccc(Br)c2)c1 2331734456 JSORIFJINHTACX-UHFFFAOYSA-N 431.334 5.232 30 10 IKEE N#Cc1nnn(-c2ccc(Cc3ccccc3)cc2)c1NC(=O)C=Cc1ccc(Cl)cc1 2332187321 IYUPDBNBRVUPNA-UHFFFAOYSA-N 439.906 5.035 30 10 IKEE COc1ccc(C#N)cc1COc1cc(NC(=O)OC(C)(C)C)ccc1Br 2370446979 ABCLXLLPVDRMAR-UHFFFAOYSA-N 433.302 5.255 30 10 IKEE C=CCN(C(=O)c1nn(-c2ccc(C)cc2)c(=O)c2c1c1ccccc1n2C)c1ccccc1 9682092 CMMVBGLLIBVDBI-UHFFFAOYSA-N 448.526 5.019 30 10 IKEE COc1ccc([C@H]2N=C(Nc3nc4ccccc4s3)NC3=C2C(=O)CC(C)(C)C3)cc1 17098074 FAGXYETUEBPDFF-OAQYLSRUSA-N 432.549 5.061 30 10 IKEE CSc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OCC(C)C)cc2)C3)cc1 21227973 GKLWBPZVBNOFTB-SIKLNZKXSA-N 435.589 5.448 30 10 IKEE CC[C@@H](C)Oc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccccc1)C2 21229810 IMAUOVYJEXBFTF-YGXLPCTBSA-N 438.571 6.843 30 10 IKEE Cc1ccc(Sc2ccc(/C=C\C(=O)c3ccc(OC(F)F)cc3)cc2[N+](=O)[O-])cc1 33869889 VSBQPCNLHHCOQI-QCDXTXTGSA-N 441.455 6.552 30 10 IKEE CCOc1ccc2oc(C)c(C(=O)Oc3ccc(C(=O)/C=C/c4ccc(C)cc4)cc3)c2c1 34954961 QSURDJDUPASDEO-OQLLNIDSSA-N 440.495 6.564 30 10 IKEE O=C(/C=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccc2c(c1)-c1ccccc1C2 35352372 HUUWKIOXJICOLP-FLIBITNWSA-N 431.318 7.721 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc3ccccc23)s1 35567718 NWAJVFIIOKKAJT-NRFANRHFSA-N 444.512 5.285 30 10 IKEE Cc1cc(O)c(CN2CCCCCC2)c2c1C(=O)/C(=C/c1ccc(-c3ccccc3)cc1)O2 41514331 ORERGDJETZPBHY-ITYLOYPMSA-N 439.555 6.360 30 10 IKEE CCc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccc(F)cc2)C4)cc1 41648036 ZIFMQWFCJXBKHO-CFRMEGHHSA-N 429.491 5.665 30 10 IKEE CCCCCCn1c2ccccc2c2nnc(N/N=C/c3ccccc3OCCCC)nc21 64981635 VRWFFKCLMMQRQG-ZXVVBBHZSA-N 444.583 6.185 30 10 IKEE CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)[C@H](CCC=O)C(=C(C)C)CC[C@H]1C 87528569 VNBRFEUEYRHQBM-OPEBEUCHSA-N 426.729 9.554 30 10 IKEE in-vitro C=CCn1c(C(=O)NC[C@H](c2ccccc2)N2CCCC2)c(C)c2cc(C(C)C)ccc21 169860638 SRSQXYDLIXDNDC-AREMUKBSSA-N 429.608 5.826 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/Nc2ccc(OC)c(Cl)c2)cc1OCC 169877162 JGUZXYRIPOGASC-ZXVVBBHZSA-N 447.019 7.323 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2cccc(C)c2)c1 169930671 KGDXFFXYJOYEGN-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(C)c(C)c2)=C(O)C(=O)N1c1ccccc1C 169946098 NOGXENRJABSOHI-XMMPIXPASA-N 427.500 5.403 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(N(C)C)cc2)cc1C 169956881 XNWOAJCROZRGMR-DEOSSOPVSA-N 432.564 5.280 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccc(O)cc2)cc1 169958974 JOYMZLZKMOUEKL-DEOSSOPVSA-N 443.499 5.191 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(O)cc2)cc1 169959373 FDXDIBNAUVNVPJ-JOCHJYFZSA-N 433.891 5.391 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@@H]2c2ccncc2)cc1C 170022362 QHVFVJORPYNUGZ-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccccc2C)c1 170037650 SMRVRUUOUKPAAD-OAQYLSRUSA-N 448.544 5.250 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccc1 170048514 HJXVYGQZIPVSFI-AREMUKBSSA-N 449.506 5.627 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2sccc2C)cc1 170105704 YDVPCPHZZSDWAB-NRFANRHFSA-N 449.528 5.165 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2cccs2)cc1 170156851 ODMFDNMUYXVDRM-QHCPKHFHSA-N 447.556 5.881 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccn1)c1cc2cc(Cl)ccc2o1 170173333 ONHVDVRJUXEKJW-OAQYLSRUSA-N 430.847 5.264 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccncc2)cc1 170201238 OSYFHGUITZXONC-DEOSSOPVSA-N 442.515 5.214 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccccc2)cc1C 170225961 ICNHXNGXZOXMHX-VWLOTQADSA-N 441.527 5.793 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(F)cc2)cc1 170242333 SFPOKXUKWYXXRP-HSZRJFAPSA-N 437.511 5.526 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@H]1c1c[nH]c2ccccc12 170255422 WQGKUUDFUGNNMF-HSZRJFAPSA-N 432.520 5.253 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1c1cccc(F)c1 170270841 CKGIQAMYXAFFKW-RUZDIDTESA-N 437.470 6.070 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccco2)cc1C(C)(C)C 170282875 OEXZIRYIUYWASA-HSZRJFAPSA-N 445.515 5.677 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3c(c2)C[C@H](C)O3)=C(O)C(=O)N1C1CCCCC1 170317643 MHHPKDKFPHQKIB-BTYIYWSLSA-N 437.561 5.291 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cccc(C)c2C)cc1 170453510 ZHCGGMOGFHWUII-HSZRJFAPSA-N 434.580 5.665 30 10 IKEE CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]3c3cccc(C)c3)sc2c1 170462280 NCKVROJARRTTIQ-FQEVSTJZSA-N 434.561 5.682 30 10 IKEE CC(C)Oc1ccc([C@@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2ccc(C(C)(C)C)cc2)cc1 170473336 POWWYNOLINKJDR-HSZRJFAPSA-N 435.564 5.896 30 10 IKEE C=CCOc1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4n3CCC)C2)cc2occc12 222409152 MEINYAITULGVKR-LJQANCHMSA-N 443.547 5.777 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=Nc1ccc(C(=O)OC)cc1 252622738 OBPBUAWGQFZUQD-ZZYMSUEGSA-N 435.332 5.404 30 10 IKEE CSc1nnc(C(F)F)n1N=Cc1ccc(COc2ccc(Cl)cc2Cl)o1 254617739 SVDISBPHDAEEKQ-UHFFFAOYSA-N 433.267 5.299 30 10 IKEE Oc1c(Cl)cc(Br)cc1C=Nc1cccc(-c2nc3ccccc3o2)c1 254742121 WPZZTCMQQAJIND-UHFFFAOYSA-N 427.685 6.367 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccc(O)c2)c1 526487687 FQPLEBAMEHVZPN-VWLOTQADSA-N 440.499 5.500 30 10 IKEE CN(C1=C(Sc2ccc(Cl)cc2)C(=O)N(c2ccccc2C#N)C1=O)c1ccccc1 526688868 KGOYPYMGWMIQBI-UHFFFAOYSA-N 445.931 5.225 30 10 IKEE O=[N+]([O-])c1ccccc1/C=N\n1c(Cc2ccccc2)nnc1SCc1ccccc1F 526803628 DSLNHKLRYBZSRC-MYYYXRDXSA-N 447.495 5.091 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1c(F)cccc1Cl 526817897 FZSOCHVMTDCKDR-VROXFSQNSA-N 441.334 5.990 30 10 IKEE CCCCCOc1ccc(/C=N\n2cnnc2SCc2cccc3ccccc23)cc1 526819660 BVJNIDTURAFRJH-PKAZHMFMSA-N 430.577 6.175 30 10 IKEE N#Cc1ccc(CN(c2ccc(F)c(Cl)c2)S(=O)(=O)c2cccc(Cl)c2)cc1 586221804 SQCMKRLKIRRVSY-UHFFFAOYSA-N 435.307 5.400 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(CCCC#N)c2ccc(Cl)cc2C)cc1 586230657 FALHKWXNEOWFNC-UHFFFAOYSA-N 433.017 6.270 30 10 IKEE CC1=C(/C=C\C(C)=C/C=C/C(C)=C/C=NNc2nc3ccccc3s2)C(C)(C)CCC1 606375482 KCMAPBCFQUECSB-QENUALAUSA-N 431.649 8.226 30 10 IKEE CCCCCCCCC(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 693648214 DWAYOQPGNWIUET-UHFFFAOYSA-N 430.633 5.866 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)C1(C#N)C2CC3CC(C2)CC1C3 698444186 LYXTVJFWVOFTOF-UHFFFAOYSA-N 431.374 5.909 30 10 IKEE COc1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)ccc1O 698461167 XQLINVRAWXTZDB-MRXNPFEDSA-N 433.302 5.170 30 10 IKEE CC(C)[C@@H]1CC[C@@H](C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 698481012 CIFFIFMDUYTPKG-WVBUVRCRSA-N 435.406 6.545 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCCC[C@H]1C(C)(C)C 710752913 UZITWODAPCFIEQ-AVRDEDQJSA-N 435.406 6.689 30 10 IKEE C=C1CCC(C[C@@H](NCC)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)CC1 724611069 PPHZZZDUBLCIOF-SHQCIBLASA-N 441.660 5.270 30 10 IKEE O=[N+]([O-])c1ccc(-c2sc(N=Cc3ccccc3[N+](=O)[O-])nc2-c2ccccc2)cc1 1084264576 BXIVRETUZCUOBY-UHFFFAOYSA-N 430.445 6.044 30 10 IKEE C[C@H]1CCCCN1/C(=N/CC(C)(C)CN)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1088684280 KSXWTDHWBBQQCZ-ZDUSSCGKSA-N 438.460 5.351 30 10 IKEE O=C(O/N=C(\c1ccccc1)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1 1088700331 FQRZZAGHFQXXSM-RMLRFSFXSA-N 448.469 5.078 30 10 IKEE CN(C(=O)[C@@H]1[C@H](C=C(Cl)Cl)C1(C)C)[C@@H](C#N)c1ccccc1CCc1ccccc1 1088731046 OAYASILIDCOINE-FUDKSRODSA-N 441.402 6.086 30 10 IKEE CC(=O)O[C@H]1CC[C@@]2(C)[C@@H]3CC[C@]4(C)[C@H](C[C@@H]5CCCC[C@]54C(C)=O)[C@@H]3C[C@H]3O[C@]32C1 1565538504 UOCUEIOMIAYZNI-HCGMBEGZSA-N 428.613 5.468 30 10 IKEE C=CCN(CC=C)C(=O)Nc1ncccc1O[C@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1 1858818414 ZEAJPKCWNXXRCU-CQSZACIVSA-N 449.338 5.000 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1cccc(F)c1 1862385786 XVJZJPFCFCRCGM-IBGZPJMESA-N 436.310 5.757 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCC(C)C)c1 1862404457 SGJIKQKUORYNMB-QHCPKHFHSA-N 437.536 5.027 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@H]2c2ccccc2F)cc1OCCC 1862426077 MWSNKHOXAYEVOD-QFIPXVFZSA-N 441.499 5.002 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc2cc[nH]c2c1)c1ccccc1Cl 1862433031 SNPVPOOCQJERTO-QHCPKHFHSA-N 442.902 5.600 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@H]1c1ccc(F)cc1)c1cccc(Cl)c1 1862442436 JGBHGECLQBNCJJ-QHCPKHFHSA-N 449.909 5.690 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862442857 VEYGIZQSDKHFFL-UZUQRXQVSA-N 431.919 5.988 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@H](C)c2ccccc2)c1 1862473987 IXKLNSBFDURWFU-KOSHJBKYSA-N 427.500 5.343 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 1862483061 YWHGYKUXKGBKIX-HXUWFJFHSA-N 448.346 5.305 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCc2ccc(F)cc2)c1 1862490449 VXVZUYHJKLKFFR-VWLOTQADSA-N 443.518 5.572 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2Cl)c1 1862490726 CKCAYEKITFOPME-JOCHJYFZSA-N 432.907 5.130 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc(Br)cc2)c1 1862496361 IOIVIBCCDMEVLT-HXUWFJFHSA-N 442.353 5.300 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2cccc3ccccc23)cc1 1862518235 FMSSBPCMCNIBOW-VWLOTQADSA-N 443.543 5.863 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(O)cc1 1862530043 MQLXJDXVWGSNBW-ZJSXRUAMSA-N 435.564 5.892 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2ccc(C)cc2)cc1 1862534897 YNSVGDNJTKIOQT-AREMUKBSSA-N 439.555 5.769 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C(C)C)cc1 1862550352 GQROBISEBLFCKO-DEOSSOPVSA-N 433.548 5.341 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(Cl)cc1 1862556867 GSCVOQOTAWEZQY-JOCHJYFZSA-N 440.971 5.861 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(OC)cc1 1862557708 ODUPJRBUTQQTFK-HSZRJFAPSA-N 436.552 5.216 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2cccc(Cl)c2)c1 1862561107 QJOCREAIHXBIHJ-QFIPXVFZSA-N 438.955 5.613 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc(F)cc2)cc1F 1862638255 XLAFKYLFASJULM-BPSNYSSFSA-N 441.474 5.130 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc2cc[nH]c2c1 1862651199 NFOBYCLQPAQFMK-VWLOTQADSA-N 438.527 5.946 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2[C@H](C)c2ccccc2)c1 1862660062 GXOBAAXZKYSXIV-IBVKSMDESA-N 439.555 6.458 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2F)c1 1862672497 CIVDIRFEMUBUMR-HSZRJFAPSA-N 433.454 5.360 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(F)cc1F 1862676090 ZTXJGLIRBTWFOT-PGRDOPGGSA-N 445.481 6.041 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C2CCCCC2)cc1 1862681599 DGULSBPSRWZQBE-QHCPKHFHSA-N 437.511 5.526 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccccc2Cl)cc1 1862689565 TXBDQAGVETYZES-QPJICYPMSA-N 439.939 5.506 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2cccc3ccccc23)c1 1862704567 CWEMKMAZOBBASJ-XMMPIXPASA-N 429.516 5.473 30 10 IKEE N#Cc1cccc(N2C(=O)C(Nc3ccccc3)=C(c3ccc(Cl)c(Cl)c3)C2=O)c1 1862912499 RCWUGAWUUVYLGT-UHFFFAOYSA-N 434.282 5.262 30 10 IKEE CSc1cccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3cc(C)ccc3C)C2=O)c1 1863034081 UUEXHOXIJRXMEB-UHFFFAOYSA-N 439.540 5.294 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(F)cc2)C(=O)N(Cc2ccccn2)C1=O 1863504407 NQVNTVADOOOVEK-UHFFFAOYSA-N 437.559 5.231 30 10 IKEE CCCCCCCCNC1=C(c2ccc(Br)cc2)C(=O)N([C@H](C)CC)C1=O 1863558889 YZZXUWGILIWZRM-MRXNPFEDSA-N 435.406 5.278 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)NCCCN(C)Cc1ccccc1 1866029930 PTSMQSZIMCUWNS-UHFFFAOYSA-N 444.748 7.886 30 10 IKEE CC(C)[C@H](CC(=O)N[C@H](C(=O)Nc1cccc(C#N)c1)c1ccccc1)c1ccc(F)cc1 1866748471 IMNAWTRWVMLZQI-AHWVRZQESA-N 443.522 5.323 30 10 IKEE CCCC[C@@H](NC(=O)C[C@@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866773457 AYBVPCWDYZLOLM-DNQXCXABSA-N 449.595 5.319 30 10 IKEE CCc1nc(Nc2cccc(C#N)c2)cc(N2CCC(=O)c3cc(C(C)(C)C)ccc32)n1 1868268627 QZPDCNPVZBOKQV-UHFFFAOYSA-N 425.536 5.676 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC(Cc3ccc(C(C)(C)C)cc3)CC2)nc(CCC)n1 1869216965 NIMXKVBDUZMWGA-UHFFFAOYSA-N 446.683 6.364 30 10 IKEE C=CCOc1cn(CCC2=CCCCC2)c(CSCCc2nc3ccccc3[nH]2)cc1=O 1870246296 XBDYPMLJONZVDH-UHFFFAOYSA-N 449.620 5.656 30 10 IKEE CCCCCCCOc1cn(CCO)c(CSc2nc3ccccc3s2)cc1=O 1870259901 ODSRUMFXMOMQMQ-UHFFFAOYSA-N 432.611 5.092 30 10 IKEE C=CCOc1cn(Cc2cccc(C)c2)c(CNc2cccc(Br)c2)cc1=O 1870809397 AETZWDLLYZQUTQ-UHFFFAOYSA-N 439.353 5.144 30 10 IKEE C=CCOc1cn(CCCCCCCCCC)c(CNc2ccc3c[nH]nc3c2)cc1=O 1870812610 FXAVAHJJZBGVMS-UHFFFAOYSA-N 436.600 6.042 30 10 IKEE CCCCCCCCCCn1cc(OCC(C)C)c(=O)cc1CNc1ccc(C)c(F)c1 1870858908 ZQJGLUYESZFOJN-UHFFFAOYSA-N 444.635 7.083 30 10 IKEE C=CCn1cc(OCc2cccc(C)c2)c(=O)cc1CNc1ccc(Cl)c(Cl)c1 1871069259 ADVUILDRDVRANV-UHFFFAOYSA-N 429.347 5.841 30 10 IKEE Cc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2Cc2cccc(C)c2)cc1 1871250365 ACTAYHFCRDGCGU-UHFFFAOYSA-N 449.554 5.576 30 10 IKEE C=CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(OCCCC)cc1 1871252011 HCBLWSUWHXXFFD-UHFFFAOYSA-N 443.547 5.276 30 10 IKEE CC[C@@H](C)N1COc2cc(C)c3c(c2C1)O/C(=C\c1cccc(Br)c1)C3=O 1871351978 KHVDJQJLKPPIQK-SAGYFLTASA-N 428.326 5.324 30 10 IKEE CC(C)(C)c1ccc(/C=C2\Oc3cc(OC(=O)C(Cl)(Cl)Cl)ccc3C2=O)cc1 1871363004 AMCWRBRBPAKUSF-YVLHZVERSA-N 439.722 5.876 30 10 IKEE CCn1cc(/C=C2\Oc3c(ccc(OC(=O)/C=C/c4ccco4)c3C)C2=O)c2ccccc21 1871369287 DHNWQLWVNCDRBL-ZLWWARENSA-N 439.467 5.798 30 10 IKEE Cc1c(OC(=O)c2ccccc2[N+](=O)[O-])ccc2c1O/C(=C\C=C\c1ccccc1)C2=O 1871369777 YAFRUQOTNHJDDR-JEUHMODBSA-N 427.412 5.295 30 10 IKEE Cc1cc(OC(=O)c2ccc(F)c(F)c2F)cc2c1C(=O)/C(=C/c1cccc(F)c1)O2 1871369973 BPOMAPVZGOSHQH-NVMNQCDNSA-N 428.337 5.387 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OC(=O)CCCOc4ccccc4C)c3C)C2=O)c1 1871370890 FSZIDNZWFHQOKW-UQQQWYQISA-N 442.511 5.993 30 10 IKEE Cc1c(OC(=O)Cc2ccccc2[N+](=O)[O-])ccc2c1O/C(=C\c1cccc(Cl)c1)C2=O 1871374788 ZKFNLMDQEZEDOS-MTJSOVHGSA-N 449.846 5.321 30 10 IKEE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871376688 DBGZBKHMRBRVEA-RQXPBMLRSA-N 432.859 5.584 30 10 IKEE Cc1c(OC(=O)COc2ccc(Cl)cc2)ccc2c1O/C(=C\C=C\c1ccccc1)C2=O 1871380754 GBYUMKQBKMVPDG-ABVWVXPPSA-N 446.886 5.805 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)c(OC)c1 1871386391 SAPXHUSGNQNDCW-JJFYIABZSA-N 436.847 5.193 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)c(OC)c1 1871386472 WPNYKEVUEGAPNP-DDIODMMUSA-N 428.440 5.095 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871389054 HTZSJMAYKPCHIY-XKZIYDEJSA-N 448.858 5.491 30 10 IKEE CC(C)=C1Oc2cc(OCC(=O)Nc3c(Cl)cc(Cl)cc3Cl)ccc2C1=O 1871420525 BMGQUTUZVOGFNR-UHFFFAOYSA-N 426.683 5.533 30 10 IKEE Cc1cc(Cl)ccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccccc1)C2=O 1871454838 WAKVOWCMKXXCIG-UUYOSTAYSA-N 433.891 5.591 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1cccc(F)c1)S(=O)(=O)c1cc(C)ccc1C 1871969012 PFGXJTPJQKVDEA-JOCHJYFZSA-N 446.588 5.063 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(F)cc1 1872550788 DDWXBXUOMABLNU-HSZRJFAPSA-N 446.588 5.063 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)n2)cc1 1872765690 VBEPGSIQAQESQP-DVECYGJZSA-N 446.616 6.920 30 10 IKEE N#C[C@H](C(=O)Cc1ccc(Br)cc1)c1nc(-c2ccc(F)cc2F)cs1 1872766868 LGSKMTIMSDLSHU-OAHLLOKOSA-N 433.277 5.270 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(C)cc3C(C)(C)C)n2)c(C)c1 1872769825 YPJRLBCUPNHSPR-HXUWFJFHSA-N 432.589 6.288 30 10 IKEE CC(C)c1ccc(O[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3cccc4ccccc34)cs2)cc1 1872775607 VNQLVPXMIYFYDS-HOYKHHGWSA-N 440.568 6.730 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)Cc2ccc(F)cc2F)n1 1872777400 MSQHYMDYVGDVBO-SFHVURJKSA-N 440.515 5.813 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)Cc3cc(C)ccc3C)n2)cc1C(C)C 1872779231 FGCPIDYDRRUELX-JOCHJYFZSA-N 432.589 6.286 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@H](C#N)C(=O)c2ccccc2Br)n1 1872781502 VMXCJPSKMHIHAI-MRXNPFEDSA-N 441.350 5.688 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccccc3Cl)n2)cc1Cl 1872786167 ZUQZNWWQCGGVOM-VFADXPBXSA-N 429.328 6.015 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)CCc2ccc(Cl)cc2)n1 1872786240 FTTSUOKWEZYUTQ-GOSISDBHSA-N 445.371 6.243 30 10 IKEE CCCCCCCCNC1=C(c2cccc(OC)c2)C(=O)N(Cc2ccc(F)cc2)C1=O 1873048575 ZIIQPZLULATRQG-UHFFFAOYSA-N 438.543 5.065 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(C)c(C)c2)=C(c2cccnc2)C1=O 1873265542 OVHMKRZZUVPIBZ-UHFFFAOYSA-N 433.596 6.031 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1cccc(O)c1 1874204240 QQCVLRVQHOKIBW-SSDVNMTOSA-N 435.336 5.030 30 10 IKEE C=CCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1cccc(OCCC)c1 1874342875 NHYZPYRLDADGQY-LFVJCYFKSA-N 426.973 5.471 30 10 IKEE Cc1cccc(CSc2nnc([C@H](C)c3ccccc3)n2/N=C/c2ccc(F)cc2)c1 1874394324 JSYLOWJBKIZLGY-BWJYWGHISA-N 430.552 6.052 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccc(F)cc2)n1/N=C/c1cccc(F)c1 1874394944 ZOSLQCBIIUCELK-JEWIKEISSA-N 434.515 5.883 30 10 IKEE C=C(C)CSc1nnc(CC2CCCCC2)n1/N=C/c1cc(Br)ccc1O 1874407783 PKCJDTKDKPWBGV-WSDLNYQXSA-N 449.418 5.419 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2ccc(C)cc2)nnc1-c1cccs1 1874420648 WHQHOKDAPCUWQX-PCLIKHOPSA-N 448.617 6.278 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccccc3)nnc2-c2cccs2)c1OC 1874422442 MMYGWGMPXMTDSK-OEAKJJBVSA-N 436.562 5.198 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2-c2ccccc2)c1 1874429741 ZEBWBUMRIDPHAS-MTDXEUNCSA-N 434.568 6.581 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(CC(C)(C)C)n2/N=C/c2ccccc2C)cc1 1874437462 CDTZRNMCFZQIGF-MFKUBSTISA-N 435.597 5.097 30 10 IKEE Oc1ccccc1/C=N/n1c(SCc2c(Cl)cccc2Cl)nnc1[C@H]1CCCO1 1874448620 HQTJAUPANDUTAC-TYLRVVQJSA-N 449.363 5.317 30 10 IKEE COc1ccc(OC)c(/C=N/n2c(SCc3cccc(C)c3)nnc2C2CCCC2)c1 1874454866 YYNGQHOKZYCPSN-MFKUBSTISA-N 436.581 5.436 30 10 IKEE Cc1ccccc1NC(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1cccc(Cl)c1 1874482808 OWSVJFVPXMUCHD-ZMOGYAJESA-N 441.988 5.150 30 10 IKEE CC(C)(C)c1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C(C)(C)C)cc1 1874485408 SQVPCFVWFQZAHU-CVKSISIWSA-N 441.044 6.701 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc(Cl)cc1Cl 1874508061 KJYMSPSQTLATNJ-FOKLQQMPSA-N 439.799 6.365 30 10 IKEE Cc1ccccc1COc1ccccc1/C=N/n1c(S)nnc1CCc1cccs1 1874562017 WYRQQGFTRNILHB-BUVRLJJBSA-N 434.590 5.183 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Br)ccc2OCc2ccccc2F)c1 1874572288 FZQCOCZKNWGINU-PKNBQFBNSA-N 441.296 6.072 30 10 IKEE C=C(C)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(OCCC)c(OCCC)c1 1874576471 OTSUSBFPSZSDRV-JXMROGBWSA-N 428.956 6.769 30 10 IKEE Cc1ccc(C)c(COc2ccc3ccccc3c2/C=C/C(=O)c2ccc(Cl)cc2)c1 1874577185 AKGSUPVCEOJUNI-CCEZHUSRSA-N 426.943 7.585 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccc(Cl)cc2)c1)c1cccc(Br)c1 1874594857 HIESZGZCQGMEMR-FMIVXFBMSA-N 427.725 6.578 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2cccc(OCc3ccccc3C)c2)cc1Cl 1874599774 CQRMZXPYGJPCFU-ZHACJKMWSA-N 427.327 6.786 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1C 1874614383 NWRYBXWBJDPSKD-MDWZMJQESA-N 441.354 7.176 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OCC(=O)Nc1ccc(F)cc1 1874615932 DVPSDKSQMWLDPO-AWNIVKPZSA-N 449.478 5.065 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] 1874616151 LGLHAKFCCILGQE-GXDHUFHOSA-N 444.487 5.379 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)c1OCc1ccc(C)cc1 1874617522 GKJLIQQXGPHMPP-ACCUITESSA-N 434.963 7.139 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)ccc1OCCCO 1874628778 VUIOAAGLXKCYMR-FNORWQNLSA-N 425.308 5.058 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc(OC)c1OCC(=O)OC 1874635868 XKLQCDDEERXSRS-ACCUITESSA-N 436.548 5.478 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OC(=O)c1ccc(N(C)C)cc1 1874700674 GILZJQIBYOUJLK-LNKIKWGQSA-N 435.907 5.530 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3c(C)ccc(C)c3C)c2)cc1 1874701225 HRVFHNRCNLZISV-LFIBNONCSA-N 444.527 5.891 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OC(=O)Cc1ccc(Cl)cc1 1874701576 ZLKDHXTVQNNELC-KPKJPENVSA-N 434.919 6.010 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2)cc1 1874702137 SSNZDDAUDJFPSM-VGOFMYFVSA-N 445.471 5.807 30 10 IKEE Cc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3cccc4ccccc34)c2)c(C)c1 1874708262 ULCIWBXHQDBZKS-CCEZHUSRSA-N 436.507 6.337 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1cccc([N+](=O)[O-])c1 1875084956 IHPCKPIMUXKTRD-RMKNXTFCSA-N 431.488 5.613 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1cc(C)cc(C)c1 1875095092 YDESAEIHYWNBON-VQHVLOKHSA-N 431.444 5.336 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OC(=O)[C@@H]1CCCO1 1875097761 BGZOXVSZZXXFTA-MYILAFDMSA-N 446.543 5.283 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)c1 1875101097 JISSCGDYIXEIOD-XYOKQWHBSA-N 441.310 6.046 30 10 IKEE O=C(COCc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1 1875104660 IIBUVFJPUDXXJE-MDWZMJQESA-N 441.310 6.012 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(Cl)c3)c(Cl)c2)cc1C 1875108176 BLLFDVZROUJQFW-RMKNXTFCSA-N 441.310 6.426 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC(=O)Cc1ccc(F)cc1F 1875125383 GLGAUAHQMWEYTB-WTDSWWLTSA-N 442.845 5.671 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Br)c(OC(=O)CC)c(OC)c2)cc1 1875130953 ZPZFMDGYRVIVLF-IZZDOVSWSA-N 433.298 5.068 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC(=O)C1CC1 1875132986 YHIJPZGCHYUYTL-BJMVGYQFSA-N 431.315 5.942 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 1875133831 DXDUCWGYBRXJET-OVCLIPMQSA-N 442.555 6.725 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)c1cccc(F)c1 1875138506 YTIABXAQVABBPZ-MDZDMXLPSA-N 438.882 6.220 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)c1ccc(F)c(F)c1 1875139908 HNHCZWCAVOBVLE-YRNVUSSQSA-N 436.454 6.096 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Br)c1OC(=O)C1CCC1 1875142208 PNVQPWFJRRRTCI-RMKNXTFCSA-N 447.300 5.507 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1ccc(Cl)cc1 1875144168 IAHUVCOJHUWLIE-VZUCSPMQSA-N 436.891 5.781 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)cc(Cl)c1OC(=O)CC(C)(C)C 1875145195 GKLZXELCLRILMD-MDZDMXLPSA-N 444.955 6.293 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)CC1CCCCC1 1875175454 PYYRFHJHVWZIAC-ACCUITESSA-N 436.548 6.093 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc([N+](=O)[O-])c1OC(=O)CC 1875185318 RFGKRXYOWKJGDL-ZRDIBKRKSA-N 439.508 5.811 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cc(OC)c(OC(=O)c3ccccc3)c(OC)c2)cc1C 1875186556 AXFXNNOFRJWQNT-VAWYXSNFSA-N 446.499 5.445 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc(Cl)c1OC(=O)CC 1875192514 PKWXEWMHJMEWCT-ZRDIBKRKSA-N 438.907 6.112 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[C@@H](C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1890762823 KWFZFYJOFAWMIE-XUVXKRRUSA-N 429.561 5.009 30 10 IKEE C[C@H](C#N)c1cccc(C(=O)N[C@H]2CCc3nc4ncc(-c5ccccc5)cc4cc3C2)c1 1890871079 IAQMHOQOKJLUJB-CJAUYULYSA-N 432.527 5.211 30 10 IKEE CCCCCCCC[C@@H](NCCC)c1sc(Br)cc1Br 1922914695 JDKKDCSRKBDCRT-CQSZACIVSA-N 425.274 7.064 30 10 IKEE CCC[C@@H]1CC[C@@H](C#N)[C@H]([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)C1 1983609772 ZEGISDNGHKYMSK-NJLIDXMJSA-N 446.547 5.334 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)[C@@H]1C(C)(C)C 2020139392 MHBYORQVSGVVIT-UUOWRZLLSA-N 429.561 5.356 30 10 IKEE C=CCCCCCC[C@@H](N)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2026000762 APYGDLWPLZVMDL-BVAGGSTKSA-N 430.633 5.684 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(Cc3ccccc3)CC2(C)C)cc1 2037430923 JJSFWZPZDSTONN-HHHXNRCGSA-N 433.596 5.931 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]12CCC[C@@]1(F)CN(C(=O)OC(C)(C)C)C2 2052200488 JKDXVOVLXMXSFK-UCGXPXSYSA-N 446.607 5.257 30 10 IKEE C=C(CO)[C@@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)C(=O)CC[C@@]34C)[C@@H]12 2053578084 ZUBZPUNHXGLZSQ-GRFJDIJOSA-N 440.712 7.205 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)CCC12CCC2 2057367956 WIQIHVBOBOQFLO-RUZDIDTESA-N 441.572 5.644 30 10 IKEE CCCN[C@]1(C#N)CC[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)[C@H]1CC 2058736622 CUADHCYNFUNCNU-FCEKVYKBSA-N 432.656 5.071 30 10 IKEE C#CC[C@H](C[C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1)C1CC1 2076108090 UXQQALSOPBRCGQ-ZBCONREDSA-N 442.644 5.293 30 10 IKEE Cc1ccc([C@@H](n2nc(C(F)F)c(C#N)c2I)C(C)(C)C)cc1C 2079017080 XHIKMWNNXDMYOR-OAHLLOKOSA-N 443.279 5.549 30 10 IKEE Cc1cc(O)c([C@H](C2CCC2)n2nc(C3(C)CC3)c(C=NO)c2Br)cc1C 2080001941 PPFOYATZQAXLQJ-SFHVURJKSA-N 432.362 5.217 30 10 IKEE Cc1cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)sc1Br 2082340386 YWFXNRQQGFDNLE-AWEZNQCLSA-N 441.778 6.479 30 10 IKEE C=CCC[C@H](C)[C@@H](NCCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2102101904 ZCDJJLJKFYSJTJ-HNAYVOBHSA-N 425.411 6.439 30 10 IKEE CCC1(Nc2cc(Br)cc(F)c2C#N)CCN(C(=O)OC(C)(C)C)CC1 2107449413 IDKLBFCKLXIZQL-UHFFFAOYSA-N 426.330 5.051 30 10 IKEE C#Cc1ccccc1CNc1cc(Br)c(Br)c(Br)c1 2113848485 QGDUKQDBIZPBJT-UHFFFAOYSA-N 443.964 5.568 30 10 IKEE CCCCC#CC[C@@H](NCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2138993608 KDUKYUQMVWSRPV-MUUNZHRXSA-N 441.615 7.079 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](CNc2ccc(C#N)cc2Br)(C(C)(C)C)C1 2162291977 SSYKPZGFAUNDMU-OAQYLSRUSA-N 436.394 5.406 30 10 IKEE CCC[C@@]1(CNc2cc(Br)cc(C#N)c2)CCCN(C(=O)OC(C)(C)C)C1 2162414827 MFJBXKLVTRIEEV-NRFANRHFSA-N 436.394 5.550 30 10 IKEE Cc1cc(F)c([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)c(Br)c1 2173403958 ANJIQWUOYUIHPZ-KRWDZBQOSA-N 437.284 6.042 30 10 IKEE CO[C@]1(C)C[C@H]2C[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2185281780 GMXXBEKTNRBMBK-RSMHBEIYSA-N 435.362 5.288 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Cl)c(Cl)cc1Cl 2201289476 QXWPIQZXNPWGBY-ZWKOTPCHSA-N 435.823 6.547 30 10 IKEE CCCN[C@@H](C#CC1CCCCC1)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2251420028 SPGCBVYZZRVMBU-ZEQRLZLVSA-N 428.617 5.048 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2sc(Br)c(C)c2C)c1 2265880200 NFMZYUWLSIKAIW-MRXNPFEDSA-N 435.387 6.442 30 10 IKEE CN(Cc1cccc(NC(=O)OC(C)(C)C)c1)C(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1 2267461779 SRPCSOQUQPWIJK-UHFFFAOYSA-N 444.381 5.009 30 10 IKEE C=CCN1C(=O)C(=Cc2cccc(OCc3ccc(Cl)c(Cl)c3)c2)SC1=S 2293512333 GJPFNTOSGVRMJI-UHFFFAOYSA-N 436.385 5.960 30 10 IKEE CCC[C@H](CCNC(=O)OC(C)(C)C)CC[C@@H](N)C#Cc1cccc(Br)c1 2296279043 KRTRHAXCOCKMIR-FXAWDEMLSA-N 437.422 5.239 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3c(ccc4c3[C@@H](CC(C)C)CC(=O)O4)C1=O)cn2C 2297595960 BOVLCVNHEUDVOJ-HNNXBMFYSA-N 431.488 5.242 30 10 IKEE CC(=Nc1cc(C)ccc1O)c1c(-c2ccccc2)nn(-c2nc3ccccc3s2)c1O 2297741074 TYIIXVJIBOOJAN-UHFFFAOYSA-N 440.528 6.009 30 10 IKEE Cc1cc(C)cc(N=C2NC(=O)C(=Cc3cc(Br)cc(Cl)c3O)S2)c1 2313510246 CRUKEQQRJFKTJH-UHFFFAOYSA-N 437.746 5.317 30 10 IKEE CCOc1ccc(C=C2C(=O)C(C(=O)OC)=C(C)N2c2ccc(Cl)c(Cl)c2)cc1 2313541751 XNROHOPJIBWLOZ-UHFFFAOYSA-N 432.303 5.269 30 10 IKEE Cc1ccc(N=C2NC(=O)SC2=Cc2ccc(-c3c(Cl)cccc3Cl)o2)cc1C 2314482932 ZUIVDOIOOFFSNU-UHFFFAOYSA-N 443.355 7.398 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)C=Cc2ccc(Cl)cc2Cl)nc2ccccc12 2320450665 ABXVSOCIEMRJQY-UHFFFAOYSA-N 448.313 5.559 30 10 IKEE CCCCCCOc1c(Br)cc(C=Nn2cnnc2SCC)cc1OC 2321270198 BQKPNIMMEJJLHA-UHFFFAOYSA-N 441.395 5.003 30 10 IKEE COc1ccc(C=C2Oc3cc(OCc4cc(C)ccc4C)cc(C)c3C2=O)c(OC)c1 2321755914 UOVJBQSDIGRXRW-UHFFFAOYSA-N 430.500 5.824 30 10 IKEE CC(C)c1ccc(C=C2Oc3c(ccc4c3CN(CCc3ccc(F)cc3)CO4)C2=O)cc1 2321934995 FXKZQIHPNGOQEE-UHFFFAOYSA-N 443.518 5.960 30 10 IKEE Cc1ccc(CCN2COc3cc(C)c4c(c3C2)OC(=Cc2ccccc2F)C4=O)cc1 2322220621 ZGAXEJGMVIJXPL-UHFFFAOYSA-N 429.491 5.453 30 10 IKEE CC(C)CCN1COc2ccc3c(c2C1)OC(=Cc1ccc(Br)cc1)C3=O 2322235009 GDPAFSSSGFRNBD-UHFFFAOYSA-N 428.326 5.263 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc4c3CN([C@@H](C)c3ccc(OC)cc3)CO4)C2=O)cc1 2322239925 ZWOGWVMPMVHFEV-SFHVURJKSA-N 441.527 5.787 30 10 IKEE CCCCC[C@@H](CC)N1COc2c(cc3c(c2C)OC(=Cc2ccccc2OCC)C3=O)C1 2322356860 ZFUMJRZWEJUEIS-JOCHJYFZSA-N 449.591 6.521 30 10 IKEE COC(=O)c1ccc(COc2ccc3ccccc3c2C=CC(=O)c2cccc(Cl)c2)o1 2322524876 RUKYBNKDEMJCPN-UHFFFAOYSA-N 446.886 6.348 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cc(Br)ccc1OCCCO 2322769031 RZPVQGPCCFHLEL-UHFFFAOYSA-N 447.369 5.413 30 10 IKEE Cc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2Br)C3=O)c1 2322880776 JWQVCWGJDYIYJY-UHFFFAOYSA-N 449.300 5.901 30 10 IKEE Cc1c(OC(=O)c2cccc3ccccc23)ccc2c1OC(=Cc1cccc(Cl)c1)C2=O 2323481675 UHLKIPHGCBNTTD-UHFFFAOYSA-N 440.882 6.637 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCCc3ccccc3)c(OCC)c2)cc1 2323554746 ARWARUOSQSSIPJ-UHFFFAOYSA-N 428.572 6.946 30 10 IKEE COC(=O)c1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccs2)C3=O)cc1 2323608911 SFOOCWWVOLMBPE-UHFFFAOYSA-N 446.480 5.078 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4ccc(-n5cccc5)cc4)cc(C)c3C2=O)cc1 2323675913 ZGSXVZKKGCTMFF-UHFFFAOYSA-N 435.479 5.930 30 10 IKEE C[C@H]1C[C@@H](C)CN(Cc2c(O)ccc3c2OC(=Cc2ccccc2OC(F)F)C3=O)C1 2324055203 REBUDMNXPJYNKG-GASCZTMLSA-N 429.463 5.088 30 10 IKEE Cc1cc(O)c(CN2CCCCCC2)c2c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O2 2324070472 DBAQRVKSLWCUAD-UHFFFAOYSA-N 432.347 6.000 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Cl)c1OCc1ccccc1C 2324245297 NLXNSYOZWHFINY-UHFFFAOYSA-N 442.889 6.800 30 10 IKEE C[C@H](Oc1ccc2c(c1)OC(=Cc1cn(C)c3ccccc13)C2=O)C(=O)Nc1ccccc1 2324404152 ARBQYMICJWNVHQ-KRWDZBQOSA-N 438.483 5.201 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCCCCOc4cccc(C)c4)ccc3C2=O)cc1 2324567934 LJPBDCURYSMADV-UHFFFAOYSA-N 444.527 6.248 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OCCOc3ccc(Cl)cc3)cc(C)c2C1=O 2324673273 ULCAUMXCFZQLKS-UHFFFAOYSA-N 426.921 6.092 30 10 IKEE C=C(C)COc1c(Cl)cc(C=CC(=O)c2ccc(OC)c(OC)c2OC)cc1OCC 2324722317 ZLWMYUPDXVGSIH-UHFFFAOYSA-N 446.927 5.616 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O 2325005100 BBPFKGXULXJZNG-UHFFFAOYSA-N 439.511 5.747 30 10 IKEE CCCCCCCCCOc1ccc2c(c1C)OC(=Cc1cn(CC)c3ccccc13)C2=O 2325185307 IUVKUIYVTCCTNJ-UHFFFAOYSA-N 445.603 7.715 30 10 IKEE CCOc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2cccc(F)c2)cc1 2325471747 KHXKXKDGWQJZHQ-UHFFFAOYSA-N 446.551 5.581 30 10 IKEE CCn1cc(C=C2Oc3cc(OCCN4CCCC4)cc(C)c3C2=O)c2cc(OC)ccc21 2325669455 WLRBLQKGRQIAMY-UHFFFAOYSA-N 446.547 5.069 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1OC(=O)Cc1ccccc1 2325700939 JWKIKLXABCERQX-UHFFFAOYSA-N 426.512 5.618 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1OC(=O)c1cccnc1 2325708124 VSGSTIGUSPSKJS-UHFFFAOYSA-N 428.271 5.512 30 10 IKEE CSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1N=Cc1c[nH]c2ccccc12 2325829129 VOTFGGKFELAUOM-UHFFFAOYSA-N 447.608 5.673 30 10 IKEE CSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccc(Cl)c(Cl)c1 2327506812 NEAUMRHTDQBOMQ-UHFFFAOYSA-N 427.744 5.421 30 10 IKEE CCCSc1nnc(CCc2ccccc2Cl)n1N=Cc1c(F)cccc1Cl 2327980041 FSXCNYNWLUWJHE-UHFFFAOYSA-N 437.371 5.894 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1ccc(C(=O)OC)cc1 2328179667 WXRGQMICKVVCPL-UHFFFAOYSA-N 440.613 5.689 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCCOc3ccccc3)n2N=Cc2ccc[nH]2)c1 2328754330 WSDJRBRNYNEEEM-UHFFFAOYSA-N 445.592 5.409 30 10 IKEE Cc1ccccc1CSc1nnc(COCc2ccccc2)n1N=Cc1ccc(O)cc1 2329309875 LFNMZDGDYFJHOV-UHFFFAOYSA-N 444.560 5.183 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(C)c3)n2N=Cc2ccc(O)c(O)c2)cc1 2329949815 SCYAQIZCBVIMHN-UHFFFAOYSA-N 444.560 5.071 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)C=Cc1ccc(OC)c(OC)c1 2330064225 PBKZJXYIZSXGFZ-JOCHJYFZSA-N 446.632 5.259 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3Br)cc2)cc1 2330740714 KECJCDZKCFPBDW-UHFFFAOYSA-N 435.317 6.127 30 10 IKEE CC(C)(C)CC(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1Cl 2330807994 CZVKPCPODWEWBA-UHFFFAOYSA-N 425.739 6.885 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(OC)cc3)c(Cl)c2)cc1 2330831045 GLZLBBSQGSYVBV-UHFFFAOYSA-N 448.946 6.807 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2F)n1N=Cc1ccccc1[N+](=O)[O-] 2330842453 MWYPYQHRBFYUDK-UHFFFAOYSA-N 427.505 5.089 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3c(C)ccc(C)c3C)cc2)cc1C 2330855706 HJMZYXHQXKHJHE-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc(N(C)C)cc1 2330950597 GAMDKJGCNFUATB-UHFFFAOYSA-N 435.907 5.530 30 10 IKEE COc1cccc(C=Nn2c(SCc3cccc4ccccc34)nnc2[C@H]2CCCO2)c1 2330977078 RQDZUURWCZSUHE-HSZRJFAPSA-N 444.560 5.466 30 10 IKEE Fc1cccc(Cl)c1C=Nn1c(SCc2ccc(Cl)cc2)nnc1C1CCCC1 2331087297 YLACBCSNZUBWJU-UHFFFAOYSA-N 449.382 6.556 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)CC(C)(C)C 2331097185 KUIQGFCDVVQSLZ-UHFFFAOYSA-N 436.882 6.255 30 10 IKEE CCc1ccc(CCC(=O)Oc2c(OC)cc(C=CC(=O)c3ccccc3)cc2OC)cc1 2331165511 SSLWISCDURXZAP-UHFFFAOYSA-N 444.527 5.701 30 10 IKEE Cc1ccc(C=Nn2c(SCC(=O)Nc3c(C)cccc3C)nnc2-c2ccco2)cc1 2331201149 SPZLRSDUPRGXCK-UHFFFAOYSA-N 445.548 5.076 30 10 IKEE CCCCCCCCC(=O)Oc1c(OC)cc(C=CC(=O)c2ccc(C)cc2)cc1OC 2331260621 RHMNYPZAMSQULM-UHFFFAOYSA-N 438.564 6.564 30 10 IKEE CCCCc1nnc(SCc2ccc(C(=O)OC)o2)n1N=Cc1ccc(C(C)C)cc1 2331334826 MZHUXRZBFYPDQM-UHFFFAOYSA-N 440.569 5.298 30 10 IKEE CCCOc1cccc(C=Nn2c(CC(C)C)nnc2SCc2cccc(F)c2)c1 2331443873 HCVHVRHOMODITB-UHFFFAOYSA-N 426.561 5.579 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(CC(C)C)nnc1SCc1ccccc1F 2331454019 MSJKDRDEJFZRFP-UHFFFAOYSA-N 448.567 5.952 30 10 IKEE CC(C)Cc1nnc(SCc2ccccc2Cl)n1N=Cc1cc(Cl)ccc1O 2331456871 PIKQGWOWQQDSDE-UHFFFAOYSA-N 435.380 5.664 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H]3C[C@H]3c3ccccc3Cl)cc2)cc1 2331491481 KECAWSIHEJTKHR-DQEYMECFSA-N 444.958 7.069 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2ccccc2Cl)cc1 2331684592 XWOKDDRZCCPWRB-UHFFFAOYSA-N 441.988 5.230 30 10 IKEE CCC(CC)(CNC(=O)OC(C)(C)C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339589467 XVIBOJAMNJVKCH-UHFFFAOYSA-N 446.397 5.189 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NC)c1cc(Br)cc(OC2CC2)c1 2362724521 KKGNLVUCRPYHHX-RBUKOAKNSA-N 439.394 5.110 30 10 IKEE CC1(C)OB(/C=C/c2ccc(SCc3ccc(Br)cc3)nc2)OC1(C)C 2366976891 DOAJCFDPMMTULV-VAWYXSNFSA-N 432.192 5.781 30 10 IKEE CCc1nn(-c2cc(Oc3cccc4ccccc34)nc(-c3ccccc3)n2)c(N)c1C#N 1018142 DVXKYIJIPVPGEV-UHFFFAOYSA-N 432.487 5.291 30 10 IKEE CC1=C(C(=O)Nc2cccc(F)c2)[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 10013569 IMHRVJQTZDTWAW-QFIPXVFZSA-N 438.930 5.722 30 10 IKEE Cc1ccc([C@H]2C(=O)C(C(=O)Nc3cccc(C(F)(F)F)c3)=CC3=C2CCCC3=O)cc1 15863924 RSQCAHQZINICRX-JOCHJYFZSA-N 439.433 5.295 30 10 IKEE Cc1cccc(CSc2n[nH]c(N/N=C/c3ccc(OCc4ccc(F)cc4)o3)n2)c1 20424877 YSBAGPZGPDOEGU-WYMPLXKRSA-N 437.500 5.163 30 10 IKEE CN(/N=C/c1ccc(C(C)(C)C)cc1)c1cnn(-c2ccc(F)c(Cl)c2)c(=O)c1Cl 20615612 ULBZBUIKJYBSFT-RPPGKUMJSA-N 447.341 5.446 30 10 IKEE C=CCn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nnc1C(F)(F)F 20840242 LGJVSGVLXDVGKC-UHFFFAOYSA-N 430.540 5.069 30 10 IKEE CC(C)Oc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccc(F)cc1)C2 21220345 KXWKWLAMEIIUQE-VKGTZQKMSA-N 442.534 6.592 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(OCC(C)C)cc2)cc1 21258338 IRSSFEQNVRLDBR-NZQKXSOJSA-N 433.548 5.124 30 10 IKEE Cc1cc(Br)c(/N=C2\NC[C@@H](c3ccccc3)S2)c(Br)c1 35287007 RUDIZHOZQMPHGC-AWEZNQCLSA-N 426.177 5.585 30 10 IKEE COc1ccc(CO/N=C(/C)c2cc(-c3ccc(F)cc3)n(-c3ccc(C)cc3)c2C)cc1 35843442 NTUVJUWCMMABBB-COEJQBHMSA-N 442.534 6.850 30 10 IKEE N#CCCN(Cc1ccccc1)C(=O)COc1c(Cl)cc(Cl)cc1Br 36563629 KBOJLDZWVWTPJJ-UHFFFAOYSA-N 442.140 5.077 30 10 IKEE COc1cccc(/C(C)=C2\S/C(=N/c3ccncc3Cl)N(c3ccccc3)C2=O)c1 39864560 LWENSRHDYAKCJA-GNDHVBMESA-N 435.936 5.942 30 10 IKEE Cc1c(/N=N/c2ccc(-c3ccccc3)cc2)c(O)n(CCc2ccccc2)c(=O)c1C#N 39870737 SMXPXEMBDKMOAL-QVIHXGFCSA-N 434.499 6.059 30 10 IKEE C=CCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@H]1c1ccc(Br)cc1 39913382 LDMLWSGYMOHCFR-GOSISDBHSA-N 444.712 5.249 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccc(OC)cc1 40081068 QFYGURHKXHGMAS-HSZRJFAPSA-N 437.536 5.108 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1ccc(Cl)cc1 40093522 SAHUCOYBLHDNNN-QFIPXVFZSA-N 441.955 5.814 30 10 IKEE CCc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccccc4F)nn32)cc1 54641666 KDTQAMGMYSZAEE-QFIPXVFZSA-N 434.540 5.294 30 10 IKEE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)Nc1cccc(Cl)c1C 59265637 GFXSNJHYSXEWHN-UHFFFAOYSA-N 441.988 5.077 30 10 IKEE CCCCCCCCCCCCCCCCCCNC(=O)N[C@@H]1C=CS(=O)(=O)C1 59568204 VKMHLLWAKCBRPO-JOCHJYFZSA-N 428.683 5.858 30 10 IKEE Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)S2)cc1 96803893 UPLFVCCMLNRHSE-PDGQHHTCSA-N 426.950 6.284 30 10 IKEE CCCCCCCCCCn1c([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc2ccccc21 101323448 XKJSGXCWUCEKTP-OAQYLSRUSA-N 435.587 6.837 30 10 IKEE O=C(/C=C\NNc1ccc(Cc2ccc(Cl)cc2Cl)nn1)/C=C/c1cccs1 102676126 VVLVYQFUFRTZEL-KQHSAVHASA-N 431.348 5.148 30 10 IKEE CCCCCCCCCCCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 108715027 ZAJWZNVQVRKKJZ-UHFFFAOYSA-N 434.668 6.841 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2cc(C)cc(C)c2)cc1 169922399 UAANJYNSEVHXCB-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3cccc(OC)c3)cs2)cc(Cl)c1OCC 169942371 JVZMLOZZEPOBFC-FMCGGJTJSA-N 431.945 5.716 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc(C)c2)c1 169972851 MRELOWKQKDTFQN-DEOSSOPVSA-N 427.500 5.091 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@H]1c1ccc(OC(C)C)cc1 169979078 JCQLGTXYSQFJJD-RUZDIDTESA-N 435.564 5.561 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@@H]2c2ccncc2)cc1 170020972 KEZJMFBSSGGEHU-RUZDIDTESA-N 434.495 5.580 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccccc2)c1 170047278 TXUBEHKLLSYQST-SANMLTNESA-N 441.527 5.577 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cc(C)cc(C)c3OC)=C(O)C(=O)N2C2CCCCC2)c1 170119205 QBTRJHKPXZBXKN-QHCPKHFHSA-N 449.547 5.232 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1cccc(OC)c1 170120482 VCNAVLIYVRJGMC-HSZRJFAPSA-N 435.564 5.680 30 10 IKEE Cc1cc(C)cc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 170137212 BMSWZPATALBHLM-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(N(CC)CC)cc1 170138767 FGSFMFNFELKBNZ-NRFANRHFSA-N 426.944 5.175 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1cccc(C)c1 170141242 OJISHQIUTWHSKG-QHCPKHFHSA-N 443.499 5.109 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(C)c2)c1 170143965 UVFPXIXXXMPAKQ-OAQYLSRUSA-N 437.879 5.029 30 10 IKEE N#Cc1ccc(N2C(=O)C(Nc3cccc4ccccc34)=C(c3ccc(F)cc3)C2=O)cc1 170149995 VTLOEFLKYXFOSQ-UHFFFAOYSA-N 433.442 5.247 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2cccs2)c1C 170158961 ZGPPJMAVHZYKGH-QFIPXVFZSA-N 431.513 5.083 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2cccnc2)cc1 170185275 ZMIKZMCBXGCDCD-XMMPIXPASA-N 442.515 5.270 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1ccccc1 170228642 YVDPHZQTGJPRKA-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@H]1c1ccc(F)cc1 170243143 FRYUGTMCALPUFZ-LJQANCHMSA-N 446.316 5.275 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(C(C)C)cc1 170246290 KFFNPAGOQLDPPC-XMMPIXPASA-N 449.547 5.348 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1ccccc1F 170253255 FUMUKMXYCFZYKH-QFIPXVFZSA-N 425.500 5.383 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@H]2c2ccco2)cc1 170288348 CLKTYBHPRPLSKL-NRFANRHFSA-N 437.879 5.423 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@@H]1c1ccc(C)o1 170309802 KECDIEWTIJBNMJ-QHCPKHFHSA-N 439.552 5.879 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(N(C)C)cc2)cc1 170378286 HMVUYZPJGBUIBH-VWLOTQADSA-N 440.543 5.659 30 10 IKEE CCCCCCCCNC(=O)c1cc(I)ccc1Br 232977636 KJPAKLPIZVBECR-UHFFFAOYSA-N 438.147 5.144 30 10 IKEE CC[C@@]1(C)Cc2ccccc2-c2nc(NN=Cc3ccccc3)n(Cc3ccccc3)c(=O)c21 254841770 VGMVHAIFVLXYMA-LJAQVGFWSA-N 448.570 5.628 30 10 IKEE CCN(CC)c1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526606590 GPIZJBUTEDOXLF-VWLOTQADSA-N 441.506 5.601 30 10 IKEE CC(C)COc1cccc(/C=N\n2cnnc2SCc2ccc(Cl)c(Cl)c2)c1 526813893 DLBHRXKUTFVIJB-VROXFSQNSA-N 435.380 5.794 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1ccc(OC(C)=O)cc1 526815400 SWRQJPJMYUIMPH-KSEXSDGBSA-N 449.363 5.247 30 10 IKEE N#Cc1cccc(C(=O)N(c2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 586268872 VUPWOXDGEFGRJL-UHFFFAOYSA-N 449.290 5.040 30 10 IKEE Cc1cc(Cl)ccc1N(C(=O)c1cccc(C#N)c1)S(=O)(=O)c1ccc(Cl)cc1 586313642 QKXKZMCPEFBHCL-UHFFFAOYSA-N 445.327 5.209 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@H](CNC(=O)OC(C)(C)C)C(C)C 698483552 CJCMZBORCWIHQN-HKUYNNGSSA-N 447.576 5.126 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@H](C#N)c1cccc(Br)c1Cl 706533772 AXFDRUKCGJUDIC-CYBMUJFWSA-N 428.718 5.605 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)C2(C#N)C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)cc1 709413730 MNQBUCHOTHXSAQ-WPUZRXDDSA-N 441.572 5.561 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCC[C@H](CNC(=O)OC(C)(C)C)C2)c1 724092081 WUUSXLWCYOBLSG-UQBPGWFLSA-N 443.588 5.714 30 10 IKEE CCOc1cc(C=Nc2c(C)nn(Cc3ccccc3)c2C)ccc1OCc1ccccc1 1084236224 RBQPUIGSNPHFSS-UHFFFAOYSA-N 439.559 6.277 30 10 IKEE CC(/C=N\N=C1/S/C(=C\c2cccs2)C(=O)N1Cc1ccco1)=C\c1ccccc1 1554646415 IVZXFHNYNAOJMB-GADCRDTOSA-N 433.558 5.903 30 10 IKEE CC(=C/c1ccccc1)/C=C1/SC(=Nc2cccc(C(=O)O)c2)N(c2ccccc2)C1=O 1772733484 ATUDHUJHRJYQAY-UTIQICMDSA-N 440.524 6.140 30 10 IKEE Cc1ccc(NC(=S)N/N=C\c2cn(-c3cccc(C)c3)nc2-c2ccccc2)cc1 1857808496 ATSPTXXPETXMHA-QQXSKIMKSA-N 425.561 5.477 30 10 IKEE Cc1ccc(NC(=S)N/N=C\c2cn(-c3cccc(F)c3)nc2-c2ccc(C)cc2)cc1 1857808937 MWBMGXRULUSFHO-DICXZTSXSA-N 443.551 5.616 30 10 IKEE CCc1c(OCc2ccc(C#N)cc2)c(=O)ccn1CCCCCCCCCCC(=O)O 1857912023 AIHUYVMLYQWKNZ-UHFFFAOYSA-N 438.568 5.457 30 10 IKEE CCCCCCCCCOc1cccnc1NC(=O)C(c1ccccc1)c1ccccc1 1858750369 YKPCSFOXDITLSX-UHFFFAOYSA-N 430.592 6.982 30 10 IKEE CC(C)N(C(=O)c1ccc(Cl)cc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1859876123 IBAHXNQZZDOZPA-UHFFFAOYSA-N 427.747 6.572 30 10 IKEE CCCOc1ccc(-c2nc3ccc(C(=O)Nc4ccccc4C#N)cc3[nH]2)cc1OC 1861860230 QYPCLFFRTUPXDS-UHFFFAOYSA-N 426.476 5.151 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862385264 LAOHUDNQFLWLDH-RBZFPXEDSA-N 432.347 5.933 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 1862397247 OUUJUTNQFQSSFD-DFBJGRDBSA-N 447.619 6.704 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2[C@H](C)CC)c1 1862406241 YWRABKMPLWCQGQ-UZUQRXQVSA-N 437.536 5.169 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCc2ccccc2)c1 1862413225 YBAVHCIJOFQFSX-QHCPKHFHSA-N 433.454 5.094 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(F)c1 1862444999 LTNGJBVHPWAMAW-OAQYLSRUSA-N 445.918 5.264 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 1862446346 QCCGKVQSFROLHK-XWRIVVANSA-N 444.358 6.150 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc2cc[nH]c2c1 1862476915 GMRFEYQBQUVCQZ-DEOSSOPVSA-N 446.547 5.261 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccccc2Cl)cc1 1862477472 XTSXUSQUXNSTFM-HSZRJFAPSA-N 431.919 5.735 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(OCCCC)cc1 1862496924 XNRBFBZPDBZRAF-RUZDIDTESA-N 449.591 6.251 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2c(F)cccc2Cl)cc1 1862518580 NMZBPBSJTFDAKD-FQEVSTJZSA-N 431.891 5.256 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 1862530008 MHBJRHPYUIGXNL-MZNJEOGPSA-N 429.491 5.728 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc(F)c1)c1ccc2c(c1)CCCC2 1862544614 HPLNBTTUHLDMGG-HSZRJFAPSA-N 431.463 5.076 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(C(C)C)cc1 1862545940 MDTXMVIJEJYPJY-CJAUYULYSA-N 431.576 6.066 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(Cl)cc1Cl 1862553465 LCBOLTFVUPXLEG-OAQYLSRUSA-N 444.358 5.861 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc([N+](=O)[O-])c1 1862582786 MLUJWSFYVPNFNF-ADLMAVQZSA-N 449.290 5.278 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(N(C)C)cc1 1862651053 KIRUKQMAMPNKSZ-XMMPIXPASA-N 428.532 5.140 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccc(OC)c1 1862663022 NGLHTJZEZVYNMQ-DEOSSOPVSA-N 435.564 5.977 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(N(C)C)cc1 1862664202 GMCVJQKYUHBZAB-DEOSSOPVSA-N 434.580 5.500 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CC2)cc1OCC 1862672006 XIXWKWVWAJWQQW-DEOSSOPVSA-N 449.547 5.348 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)c1 1862672945 ICTWASOXOPBMEU-QHCPKHFHSA-N 433.454 5.360 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(F)cc2)=C(O)C(=O)N1C12CC3CC(CC(C3)C1)C2 1862673078 BMMXYKJKUPYTNU-GETQMSEISA-N 445.534 5.681 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccc(O)c1 1862721841 JWFLWQGWKKMLIK-VWLOTQADSA-N 441.527 5.828 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc2cc[nH]c2c1 1862758171 YCRKDCUQCHKEBN-JOCHJYFZSA-N 447.491 5.235 30 10 IKEE CCCCc1ccc(NC2=C(c3ccccc3F)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862927046 JLEVVLOKAJGYOD-UHFFFAOYSA-N 439.490 5.437 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccc(C(C)C)c(C)c3)C(=O)N(c3ccccc3C#N)C2=O)c1 1863036761 DYUIXFXQMBKXQX-UHFFFAOYSA-N 449.554 6.004 30 10 IKEE N#Cc1ccccc1N1C(=O)C(Nc2cccc(Cl)c2Cl)=C(c2cccs2)C1=O 1863120017 RJOSMHSKHGYAJD-UHFFFAOYSA-N 440.311 5.323 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Br)cc2Cl)=C(c2cc(C)ccc2C)C1=O 1863405444 ATLQURWIXHJTLY-UHFFFAOYSA-N 445.744 5.097 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H](C)c2ccccc2)=C(c2ccc(C)c(C)c2)C1=O 1863608174 VTOJWGUIGSJABT-JOCHJYFZSA-N 432.608 6.095 30 10 IKEE CCCc1nc(Nc2ccc(C#N)cc2)cc(N2CCC[C@@H]2c2nc3ccccc3s2)n1 1868401342 WSMODBRBIMHKIW-HXUWFJFHSA-N 440.576 5.996 30 10 IKEE N#Cc1nnn(Cc2ccc(Cl)cc2Cl)c1NC(=O)CC12CC3CC(CC(C3)C1)C2 1870106564 ACLIKEKMPICMGL-UHFFFAOYSA-N 444.366 5.050 30 10 IKEE C=CCn1cc(OCC(=O)Nc2ccc(CC)cc2)c(=O)cc1CSCc1ccccc1 1870202116 IJNKJHPPUHDYOI-UHFFFAOYSA-N 448.588 5.048 30 10 IKEE CCCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN(C)Cc1ccccc1 1870350565 LVZCCJDQPUPGIK-UHFFFAOYSA-N 443.591 5.511 30 10 IKEE CCCCCCCCn1cc(OCC2CCCCC2)c(=O)cc1CN1C[C@H](C)C[C@@H](C)C1 1870482671 DIQGRXKVRMIAAO-DNQXCXABSA-N 444.704 6.646 30 10 IKEE CCCCCCCCn1cc(OCc2cccc(F)c2)c(=O)cc1CN(CC)CCCC 1870614523 PSWGARNGVPNBEK-UHFFFAOYSA-N 444.635 6.549 30 10 IKEE C=CCn1cc(OCCCCCCC)c(=O)cc1CNc1ccc(CC)c([N+](=O)[O-])c1 1870833401 HFLALUSMCUUNHU-UHFFFAOYSA-N 427.545 5.466 30 10 IKEE CCCCCCCCn1cc(OCCOC(C)C)c(=O)cc1CNc1ccc(C)c(F)c1 1870987132 SOFBXHDQHUQYHO-UHFFFAOYSA-N 446.607 6.072 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)ccc3C2=O)cc1 1871383113 DHFIZGXIUAKKRU-JJFYIABZSA-N 449.846 5.646 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)C(C)(C)Oc4ccc(Cl)cc4)ccc3C2=O)cc1 1871384979 SYYANSBQKBMCRF-UCQKPKSFSA-N 448.902 6.028 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(O[C@@H](C)C(=O)Nc3ccccc3Cl)cc(C)c2C1=O 1871403803 AMYDNKOVBZQMCR-ICODJCHTSA-N 447.918 5.979 30 10 IKEE CCCCCCCCCCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(C)o1)C2=O 1871426922 DSAULLKNYVPHKY-ULJHMMPZSA-N 440.536 6.267 30 10 IKEE N#Cc1ccccc1COc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O 1871437091 IHNUBQFTHPQHSO-JJFYIABZSA-N 432.273 5.516 30 10 IKEE CC(=O)c1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O 1871441471 DOQYRRUIHWLJAE-FMCGGJTJSA-N 447.874 5.176 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(F)c(F)c4)cc(C)c3C2=O)cc1 1871443221 KQIPKCPERLDUPL-YVNNLAQVSA-N 435.426 5.215 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OCC(=O)Nc3cccc4ccccc34)c2C)C1=O 1871452905 VUCUGKAYIIXXEA-QQXSKIMKSA-N 449.506 6.090 30 10 IKEE CCCOc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 1872759802 AAUNDFCMKYMYPO-QHCPKHFHSA-N 426.541 6.171 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccccc3OC)cs2)cc1OC 1872763900 YCGQNXHPRBNEJG-CKDFRHGISA-N 434.517 5.116 30 10 IKEE Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccccc3Cl)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1872764503 OPYSQJXRPQOPKG-CQSZACIVSA-N 442.840 5.078 30 10 IKEE CC(C)c1ccc(O[C@H](C)C(=O)[C@H](C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1 1872777768 VVRXHNCNQWEAJL-UZLBHIALSA-N 429.545 6.059 30 10 IKEE COc1ccc(/C=N/Nc2ccc(Cl)cc2)cc1OCc1ccc(Cl)cc1Cl 1873496556 XSSLBLCSIVWSBG-BRJLIKDPSA-N 435.738 6.680 30 10 IKEE CC(C)(C)n1ncc(N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c(Cl)c1=O 1873526452 GALKNSQOQGIBJK-BRJLIKDPSA-N 445.350 5.330 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)Nc1cccc(F)c1)n2C 1873629206 QSWZEJAOTNOWRM-UHFFFAOYSA-N 425.552 5.912 30 10 IKEE C=C(C)CSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(C(=O)O)cc1 1874269793 OKKWDEHKKJRRCN-CVKSISIWSA-N 442.544 5.271 30 10 IKEE Cc1ccccc1/C=N/n1c(SCC(=O)OCC(C)C)nnc1-c1ccccc1Cl 1874367985 JQYMWXPPGFDWEW-WYMPLXKRSA-N 442.972 5.080 30 10 IKEE CSc1nnc(CCc2ccccc2)n1/N=C/c1ccc(OCc2ccccc2C)cc1 1874397500 ALHNLHFARQUGQS-OVVQPSECSA-N 442.588 5.555 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCCc2ccccc2)n1/N=C/c1cccc(F)c1 1874400274 MRMVIFHMUVMIBK-RTMGKINMSA-N 430.552 5.786 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccccc2)n1/N=C/c1cc(Cl)ccc1O 1874426068 PHCAITZOXMJMIB-AFUMVMLFSA-N 434.952 5.787 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)(C)C)n2/N=C/c2ccc([N+](=O)[O-])cc2)c1 1874438892 YQVAZBOLDWVOPT-ZVHZXABRSA-N 437.569 5.566 30 10 IKEE CCOc1c(/C=N/n2c(SCc3ccccc3F)nnc2C(C)(C)C)cccc1OC 1874484346 RDGDQZYANSUOED-AFUMVMLFSA-N 442.560 5.297 30 10 IKEE C=C(C)CSc1nnc(CC(C)C)n1/N=C/c1ccc(OCc2ccc(C)cc2)cc1 1874490034 WMCFYVCQIFUEPU-CVKSISIWSA-N 434.609 5.914 30 10 IKEE COCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874503017 MNFSUQAVOKOIKX-LSFURLLWSA-N 441.771 5.559 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1/N=C/c1ccc(Br)cc1 1874507448 DFVNFEINKBTGIA-WSDLNYQXSA-N 433.350 5.307 30 10 IKEE C=CCSc1nnc(C(C)C)n1/N=C/c1cccc(OC)c1OCc1cccc(C)c1 1874514336 SZKLSMJHRJRCNT-MFKUBSTISA-N 436.581 5.458 30 10 IKEE COc1cc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C(C)C)ccc1O 1874515116 QKLUYOUNNVFDQH-AUEPDCJTSA-N 434.924 5.083 30 10 IKEE CCCN(CCC)C(=O)COc1c(/C=C/C(=O)c2ccc3ccccc3c2)cccc1OC 1874571442 NLHZRTBNMIIZSO-FOCLMDBBSA-N 445.559 5.772 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2c(Cl)cccc2Cl)c1 1874572305 GQKXMOUVFITSDF-CSKARUKUSA-N 447.745 7.131 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(F)cc2F)c1OCc1ccc(Cl)cc1 1874576360 JPEJTGVBXGRNAO-RUDMXATFSA-N 449.280 6.755 30 10 IKEE COc1cccc(/C=C/C(=O)c2cccc(Cl)c2)c1OCc1cccc2ccccc12 1874577503 QMNQNQUPERGRFZ-FOCLMDBBSA-N 428.915 6.977 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc3c(c2)OCO3)c1OCc1ccc(F)cc1 1874583089 WEILQCUUDOORLV-XBXARRHUSA-N 440.854 5.692 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2ccccc2OCc2cc(C)ccc2C)cc1Cl 1874590326 FUPAAQPBVYBPLL-ZHACJKMWSA-N 441.354 7.094 30 10 IKEE CCc1ccc(NC(=O)COc2cccc(/C=C/C(=O)c3c(C)cc(C)cc3C)c2)cc1 1874599740 BNXPYARFPGQFBU-SDNWHVSQSA-N 427.544 6.088 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCc3cccc4ccccc34)c(Cl)c2)cc1 1874613778 MWSYJBOUGUHUIL-MHWRWJLKSA-N 442.942 7.367 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1C 1874614587 SZOXRLYRAALSAV-OUKQBFOZSA-N 435.907 5.571 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OCC(=O)Nc1ccccc1 1874615305 QKSXOLLHBWRHBU-ACCUITESSA-N 445.515 5.234 30 10 IKEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(Cl)c(Cl)c3)cc2)o1 1874615943 VCYHIOVAWGCSCT-ONNFQVAWSA-N 431.271 5.848 30 10 IKEE CCCOc1c(Br)cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1OCC 1874621016 FUSHXOFSCHXDOA-FNORWQNLSA-N 433.298 5.261 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)cc(OC)c1OCCC 1874637003 CXDJNNKMYFQQRI-CMDGGOBGSA-N 435.347 6.424 30 10 IKEE Cc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(Cl)cc3Cl)c2)cc1C 1874695023 HFVUGNNKZOBRAE-DHZHZOJOSA-N 439.338 6.654 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1cccc(/C=C/C(=O)c2cccc(Cl)c2)c1 1874699155 HEBFOHDZNDUGCS-CCEZHUSRSA-N 434.919 6.309 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1OC(=O)Cc1cccs1 1874707161 RMHLDKMZGPKPKW-ACCUITESSA-N 428.509 5.954 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)c2cc3ccccc3n2C)c1 1874718581 QHBNDBHNNGKZQS-ZRDIBKRKSA-N 445.902 5.956 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1Cl)c1cccs1 1875104714 KZOSSUSVXZINLY-XVNBXDOJSA-N 437.731 6.824 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)cc(Cl)c1OC(=O)C(F)(F)F 1875119506 YGCBXMGXOLUTEV-CMDGGOBGSA-N 428.790 5.111 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)c1ccncc1 1875123357 IGZRDKNRXMBQNR-AATRIKPKSA-N 428.271 5.512 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)COc1ccccc1 1875133739 JEDPMEUSZCNKRM-SDNWHVSQSA-N 430.500 5.583 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1 1875138193 QEDSMHWXAFNSIX-DTQAZKPQSA-N 430.500 5.583 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)CC3CCCCC3)c(Cl)c2)c1 1875145407 KVYOBNLMNBZVTH-DHZHZOJOSA-N 442.939 6.129 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3cccnc3)c(OC)c2)cc1F 1875152775 RRCIWNPGXKMANJ-FNORWQNLSA-N 441.842 5.007 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc4ccccc34)cc2OC)c1 1875154625 NZEQJQRILYZPDW-FYWRMAATSA-N 438.479 5.972 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)C2CCCC2)c(Cl)c1 1875160529 BRIRLVZMYYTMSK-FMIVXFBMSA-N 440.967 6.638 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc2)c1C 1875168727 RUVWLIYFVYVJQZ-SDNWHVSQSA-N 429.472 5.944 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccs3)c(Cl)c2)c2ccccc12 1875190981 WJJCQDZTMCTPEM-DHZHZOJOSA-N 448.927 6.679 30 10 IKEE O=S(=O)(Nc1cccc(OC(F)F)c1)c1cc(C(F)(F)F)ccc1C(F)(F)F 1891070865 KXTXGTLIFDSGSF-UHFFFAOYSA-N 435.292 5.126 30 10 IKEE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCC#N)CC(C)(C)C 1901534018 FIMJZHQBUIYDPE-DEOSSOPVSA-N 447.579 5.092 30 10 IKEE C=C[C@](CCC)(NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(C)C)C(=O)O 1927538764 HWPBTIVSCQAFGT-RPLLCQBOSA-N 435.564 5.997 30 10 IKEE CC(C)(C)OC(=O)Nc1ccccc1[C@@H](C#N)N(C[C@@H]1CCCO1)C(=O)OC(C)(C)C 1944208193 UUKPUCVVBVDVDM-QFBILLFUSA-N 431.533 5.014 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(CC2CC2)C(=O)OC(C)(C)C)CC12CCCCC2 1949560627 KCKBTHXMTWZQKO-XMMPIXPASA-N 433.593 5.240 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CC[C@@H]2NC(=O)OCc2ccccc2)c1 1959029446 FGQLMQADXUFLCK-SQJMNOBHSA-N 435.524 5.088 30 10 IKEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@@]1(C#N)CCC(F)(F)C[C@@H]1OCc1ccccc1 1998814221 LQCHEYOVHYBBTF-QFBILLFUSA-N 448.432 5.453 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)NCCC 2005212876 LXTMNGLOHHBWFQ-XZOQPEGZSA-N 430.633 5.411 30 10 IKEE CCCCCCCC[C@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 2035465885 XAJIHPUCKHOCHR-RPBOFIJWSA-N 448.692 6.605 30 10 IKEE CC(C)(Oc1ccc2c(c1)CCC(=Cc1csc(-c3ccsc3)n1)C2=O)C(=O)O 2042437312 KEBLOXOJXDWAAT-UHFFFAOYSA-N 425.531 5.326 30 10 IKEE CC(C)(C)OC(=O)NC1CC2(CC[C@@]2(C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 2064203281 OQVHSHVCLXQQNG-KGMOOGKZSA-N 445.535 5.297 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C12CC2 2070831268 BWUZIDZABOIMQT-XMMPIXPASA-N 445.535 5.393 30 10 IKEE NCc1c(C(F)(F)F)nn([C@H](c2ccc(C(F)(F)F)cc2F)C2CCC2)c1Cl 2079978142 WLIJGMHIPLFOFH-ZDUSSCGKSA-N 429.767 5.561 30 10 IKEE Fc1cc(-c2c(C(F)(F)F)nn(C3CCSCC3)c2Cl)cc(C(F)(F)F)c1 2080846714 AIFDMPFTFFBNAJ-UHFFFAOYSA-N 432.792 6.448 30 10 IKEE CC(C)c1cc(C(F)(F)F)ccc1-c1c(C2CCCC2)nn2c(Cl)c(C#N)cnc12 2081247772 HPVMIBGUYJDOCO-UHFFFAOYSA-N 432.877 6.721 30 10 IKEE CC[C@@H](CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC(=O)C4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C)C(C)C 2085138214 UVFOCYGYACXLAY-YRGZCXTBSA-N 426.685 7.412 30 10 IKEE C[C@H](Nc1cc(Br)cc(F)c1C#N)c1csc(NC(=O)OC(C)(C)C)n1 2114318962 KKLAVNRNUYJDKB-VIFPVBQESA-N 441.326 5.436 30 10 IKEE C=CCCCC[C@@H](NCCC)c1ccc(I)c(Br)c1 2123089507 SYQJOAQPSMKLSA-MRXNPFEDSA-N 436.175 5.841 30 10 IKEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1cc(Cl)cc(Br)c1 2124446365 XEBOKMBUYAPBAI-OAHLLOKOSA-N 444.757 5.018 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1nc(C(C)C)[nH]c1Br 2143946030 FAYIQCCVFXGRHM-GJZGRUSLSA-N 443.430 5.196 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCCC)c2cc(C)c(Br)cc2C)C1 2201073880 QVBCRPKWHFZWGD-LJQANCHMSA-N 437.422 5.720 30 10 IKEE CC(C)(C)OC(=O)NCCCc1ccc(Nc2cc(Br)ccc2C#N)cc1 2203173837 XPZGVUDMYZEHPL-UHFFFAOYSA-N 430.346 5.522 30 10 IKEE CC1(C)OB(C2[C@H]3CN(Cc4c(Br)sc5ccccc45)C[C@H]23)OC1(C)C 2233007389 XTPMPUWWXSUTLC-KBPBESRZSA-N 434.208 5.188 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)cc(F)cc1Br 2233944827 IDUZSFCSOGOZOC-WMZOPIPTSA-N 445.348 5.075 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CCCC1CCN(C(=O)OC(C)(C)C)CC1)NCC 2248087209 RMTDFVPTTMFLKH-XMMPIXPASA-N 430.633 5.555 30 10 IKEE Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)C1CC(B2OC(C)(C)C(C)(C)O2)C1 2255597477 QMCYNQBOSNTVTF-UHFFFAOYSA-N 430.354 5.153 30 10 IKEE CCCCCCCCC[C@H](NC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2256731627 SEFXGAMPEUUDTE-DEOSSOPVSA-N 446.676 6.169 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)c1sc(C)cc1Br 2261826968 NFUXDFUVOGNBJC-GOSISDBHSA-N 425.344 5.124 30 10 IKEE CCCN[C@]1(C#N)CCCC[C@H]1CCN(CCN(C)Cc1ccccc1)Cc1ccccc1 2273176695 ASKORTHTOMWIBG-VMPREFPWSA-N 446.683 5.463 30 10 IKEE Cc1ccc(C(=O)Nc2cccc(OCc3ccccc3)c2)c(B2OC(C)(C)C(C)(C)O2)c1 2282111799 VLHRZSGQWFHJSW-UHFFFAOYSA-N 443.352 5.126 30 10 IKEE Brc1csc(CN=C2N[C@@]3(CS2)C[C@H]2CC[C@H]3C2)c1Br 2283939431 FAHMDBJYDBHXRH-UINNMSKDSA-N 436.238 5.024 30 10 IKEE CC(C)(C)CC1CC([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)C1 2289969986 WHAGCNZTJXGIAO-RJYAGPCLSA-N 435.406 6.545 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(-n3cccc3)c2)cc1COc1cccc(Cl)c1 2297115589 ABLQFSIARXYYQS-UHFFFAOYSA-N 443.930 6.614 30 10 IKEE O=C(C=Cc1cc2ccccc2o1)c1cc(Br)ccc1OCc1ccccc1 2297450043 DHFSLMMZWIQXHD-UHFFFAOYSA-N 433.301 6.670 30 10 IKEE Cc1ccc(COc2ccccc2C=C2SC(=Nc3ccncc3Cl)N(C)C2=O)cc1 2314541693 AYGFLCAOKCFZKZ-UHFFFAOYSA-N 449.963 5.856 30 10 IKEE CN1C(=O)C(=Cc2ccc(Br)o2)SC1=Nc1nc(-c2ccccc2)cs1 2314543596 IGGRKUKPYJPAFI-UHFFFAOYSA-N 446.351 5.399 30 10 IKEE CC(C)(C)c1ccc(C=NN=C2SC(=Cc3ccccc3)C(=O)N2Cc2ccco2)cc1 2314818453 GHMHMBWYHDUHAO-UHFFFAOYSA-N 443.572 6.084 30 10 IKEE CCOc1ccc(C=Nn2cnnc2SCc2c(F)cccc2Cl)cc1Cl 2318571478 LLHAIYWTOIUKNE-UHFFFAOYSA-N 425.316 5.297 30 10 IKEE CCCOc1ccc(C=Nn2c(CCC)nnc2SCc2cccc(C)c2)cc1OC 2318574457 LJTQHBXEMIQIMC-UHFFFAOYSA-N 438.597 5.511 30 10 IKEE Cc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1ccc(OC(C)(C)C)cc1 2318574473 LWDWGPJBZUOTDN-UHFFFAOYSA-N 436.625 6.236 30 10 IKEE Cc1c(OCc2ccccc2F)ccc2c1OC(=Cc1cccc(Br)c1)C2=O 2321796487 RDSXXAWHFJPQFE-UHFFFAOYSA-N 439.280 6.092 30 10 IKEE Sc1nnc(-c2cccs2)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2321947038 WZALYWVWJWMXHT-UHFFFAOYSA-N 426.954 5.410 30 10 IKEE COC(=O)c1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN([C@@H]2CCCC[C@@H]2C)C4)cc1 2322153283 WMFHYOJNZHXMNG-HRAATJIYSA-N 447.531 5.128 30 10 IKEE COc1ccc([C@@H](C)N2COc3cc(C)c4c(c3C2)OC(=Cc2ccccc2F)C4=O)cc1 2322244602 CBCZYBVHYLFNAH-QGZVFWFLSA-N 445.490 5.672 30 10 IKEE CCc1ccc([C@@H](C)N2COc3cc(C)c4c(c3C2)OC(=Cc2ccccc2C)C4=O)cc1 2322260239 BJSKNUXCDPPQIN-HXUWFJFHSA-N 439.555 6.395 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCC(=O)Nc3nccs3)ccc3ccccc23)cc1 2322450122 LKBUVWOZHFRVGF-UHFFFAOYSA-N 444.512 5.219 30 10 IKEE O=C(C=Cc1cc(Br)ccc1OCc1ccc(F)cc1)c1ccc(F)c(F)c1 2322779781 GNZAKPMKGFKFDH-UHFFFAOYSA-N 447.250 6.342 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2ccccc2OCc2cc(C)ccc2C)cc1Cl 2322880870 KIQRYGDYQZRDHQ-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE CC(=O)Nc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2Cl)C3=O)c1 2322961399 LCABKCCBPSNNEP-UHFFFAOYSA-N 447.874 5.442 30 10 IKEE COc1ccc(NN=Cc2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)cc1 2323069068 NIDZBHREMXMBKF-UHFFFAOYSA-N 431.319 6.036 30 10 IKEE CCOc1cc(C=NNc2ccc(OC)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 2323069074 OCGBLRCTBJCRGT-UHFFFAOYSA-N 445.346 6.426 30 10 IKEE CCCOc1c(OC)ccc(C=CC(=O)c2cc(Cl)ccc2Cl)c1Br 2323327472 NWINJBBBCHGYEN-UHFFFAOYSA-N 444.152 6.449 30 10 IKEE Cc1ccc(NC(=O)COc2cccc(C=CC(=O)c3cc(Cl)ccc3Cl)c2)cc1 2323327699 LIKADFBEPIIBKH-UHFFFAOYSA-N 440.326 6.215 30 10 IKEE COc1ccc(OC)c(C=C2Oc3cc(OC(=O)CC4CCCCC4)cc(C)c3C2=O)c1 2323485572 ZJODEXSPLOADIU-UHFFFAOYSA-N 436.504 5.504 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCc3cccc(F)c3)c([N+](=O)[O-])c2)cc1 2323540482 HLWWCKUGGUDQTI-UHFFFAOYSA-N 433.479 6.552 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc3C2=O)c1 2323812967 KCKFHNYKJRGXJS-UHFFFAOYSA-N 430.456 5.318 30 10 IKEE Cc1c(OC(=O)c2ccc(OC(C)C)cc2)ccc2c1OC(=CC=Cc1ccccc1)C2=O 2323813990 AITRPJSHJNQFGU-UHFFFAOYSA-N 440.495 6.174 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OCc1cccc(Cl)c1 2324190762 IHCZGUSXWDAQRL-UHFFFAOYSA-N 445.317 7.006 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2cc(Br)c(OC)c(OC)c2)cc1Cl 2324433980 UXNZYQTZOPEXRR-UHFFFAOYSA-N 441.705 5.033 30 10 IKEE CCCOC(=O)[C@H](CC)Oc1ccc2c(c1)OC(=Cc1ccccc1OC(F)F)C2=O 2325079392 KCLPHKXXYZKYKZ-KRWDZBQOSA-N 432.419 5.015 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1OC(=O)c1cccc(F)c1 2325690872 MMOYFWDMVNMJNH-UHFFFAOYSA-N 426.443 6.103 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1OC(=O)COc1ccccc1 2325701093 RUASCWZSNCBGBC-UHFFFAOYSA-N 442.511 5.455 30 10 IKEE COc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2)C3=O)cc1Cl 2325711097 GMPNEWTYLGNWMV-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)C34CC5CC(CC(C5)C3)C4)c2)cc1 2325734913 NOUHPVQRKMVPRI-UHFFFAOYSA-N 430.544 6.103 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OC(=O)COc1ccc(Cl)cc1 2325737632 LDSRMMUQBYDLMY-UHFFFAOYSA-N 436.891 5.538 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc(OCC(=O)Nc3ccc(C)c(C)c3)c2C)C1=O 2325738728 FCJBPCITHVUARI-UHFFFAOYSA-N 443.499 5.254 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)cc1OC(=O)c1ccco1 2325755861 VPCRHPPOMAVKIE-UHFFFAOYSA-N 447.270 5.719 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cccc(OC(=O)Cc2ccc(Cl)cc2)c1 2325757479 VAAKTDITGJTYHK-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1ccc(C)cc1 2325951675 JIGAPNQRPOZOMX-UHFFFAOYSA-N 441.398 5.490 30 10 IKEE CCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1ccc(OC)c(OC)c1 2326327806 IDANNRODSSTLMK-UHFFFAOYSA-N 438.597 5.330 30 10 IKEE CCSc1nnc(COc2cc(F)ccc2F)n1N=Cc1ccc(Cl)c(Cl)c1 2327458020 UCKJQAFQHHLYII-UHFFFAOYSA-N 443.306 5.436 30 10 IKEE C=C(C)CSc1nnc(Cc2cccc3ccccc23)n1N=Cc1cccc(OC)c1 2327744757 VDPVOIVFKYLDQY-UHFFFAOYSA-N 428.561 5.581 30 10 IKEE Cc1ccc(CCc2nnc(SCc3cccc(F)c3)n2N=Cc2ccco2)cc1C 2328935804 AOAREHWCBDACEC-UHFFFAOYSA-N 434.540 5.587 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccco2)c(Cl)c1)c1ccc(-c2ccccc2)cc1 2330598546 DSJFEZAUBDJBQP-UHFFFAOYSA-N 428.871 6.715 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c(C)c2)cc1Br 2330865760 BBVFZYPXWXARJA-UHFFFAOYSA-N 431.326 5.758 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(N(C)C)cc3)c(OC)c2)cc1C 2330880930 CBOWKBIPDHOIKQ-UHFFFAOYSA-N 445.515 5.194 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3F)c(Cl)c2)cc1 2330965708 WAKINGQVZULDJY-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE CCCOc1ccc(C=Nn2c(SCCc3ccccc3)nnc2[C@H]2CCCO2)cc1 2330968021 LSBXDXBDHTZFAW-JOCHJYFZSA-N 436.581 5.135 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2OC)cc(OC)c1OC(=O)c1cncc(C)c1 2331079794 DJUZPHNWOZBGIS-UHFFFAOYSA-N 443.499 5.251 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)c1cnc(C)cn1 2331115976 TVLMBNDFSYYBJW-UHFFFAOYSA-N 443.286 5.216 30 10 IKEE O=C(Cc1cccs1)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 2331146235 HTAMEBLTZSCIEG-UHFFFAOYSA-N 427.865 5.354 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccc(Cl)c(C)c3)cc2)c(C)c1 2331216059 WOMBMYMLZFIBGS-UHFFFAOYSA-N 434.919 6.146 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)COCc1ccccc1 2331231614 IPZBCFCCHYEWHN-UHFFFAOYSA-N 444.527 5.720 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1ccc(C)c([N+](=O)[O-])c1 2331350821 XCHKMNVFMCNLNM-UHFFFAOYSA-N 449.434 5.475 30 10 IKEE COc1cccc(C=Nn2c(CC(C)C)nnc2SCc2ccccc2Cl)c1OC 2331456554 CGRPXCBHBMJXBA-UHFFFAOYSA-N 444.988 5.322 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)C(C)C)c([N+](=O)[O-])c2)cc1C(C)C 2331577774 OLOQRBLLPMTORV-UHFFFAOYSA-N 425.481 5.493 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C(C)C)cc1 2331708191 OHTTWBCUCLCEGW-UHFFFAOYSA-N 435.380 5.891 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)C1CCC1 2331770805 IAXRZZDCKNCORP-UHFFFAOYSA-N 426.940 6.266 30 10 IKEE OCC#Cc1ccc(CN(Cc2ccccc2)CC2CCCCC2)cc1Br 2377351538 CXRJQAKEEYDGOG-UHFFFAOYSA-N 426.398 5.375 30 10 IKEE O=c1cc(-c2ccccc2)cc(-c2ccccc2)n1N=C(c1ccccc1)c1ccccc1 15770310 SNLBKMFJAWSRBU-UHFFFAOYSA-N 426.519 6.483 30 10 IKEE Cc1cc(C)c(-c2c(C#N)c(N)nc3c2CCCCCC3)cc1COc1ccccc1Cl 20344666 AUYQYWAYHMJOMX-UHFFFAOYSA-N 445.994 6.711 30 10 IKEE COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C)o2)c1 21230099 JMGWEGYQXPAEJJ-YHAMSUFESA-N 430.504 5.585 30 10 IKEE COc1ccc(OC)c(-c2cccc(-c3ccc(NC(=O)c4cccc(C#N)c4)cc3)n2)c1 23461295 LKDSIEBIFOSULW-UHFFFAOYSA-N 435.483 5.557 30 10 IKEE Clc1ccc(/C=N/N=C/C2=C(N3CCOCC3)/C(=C\c3ccccc3)CC2)c(Cl)c1 32694183 YGXDHBMIXAEQOA-WVHZEAKRSA-N 440.374 5.862 30 10 IKEE CCn1nc(C)c(CN/C(=N\C(=O)c2cc(C)cc(C)c2)Nc2ccc(C(C)C)cc2)c1C 32972035 WBZNBYYWSYQDIF-UHFFFAOYSA-N 445.611 5.658 30 10 IKEE O/C(=N\c1nnc(SC/C=C\c2ccccc2)s1)c1sc2ccccc2c1Cl 33475846 LEWHEHWJPVGNMC-TWGQIWQCSA-N 444.006 6.848 30 10 IKEE COc1cc(/C=C2/Oc3cc(OCc4cc(C)ccc4C)ccc3C2=O)cc(OC)c1OC 33897279 KSASGEDCUMBJKG-FOKLQQMPSA-N 446.499 5.524 30 10 IKEE COc1cc(C(=O)Oc2ccc(/C=C\C(=O)c3ccc(C)cc3)cc2)cc(OC)c1OC 34954342 LMQATKHEJLNIQV-ZROIWOOFSA-N 432.472 5.136 30 10 IKEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C\c3ccc(OC)c(OC)c3)c2C#N)C1 35132135 AEUQPGDABIMYAX-SAYIFAPPSA-N 438.593 5.830 30 10 IKEE OC1=NC(=N/c2ccc(O)cc2)/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)S1 35484881 JJUKSMNPYMPFGG-JCMHNJIXSA-N 438.512 5.977 30 10 IKEE COc1ccc2c(c1)c(/C=C1\Oc3c(CN4CCCC[C@H]4C)c(O)cc(C)c3C1=O)cn2C 41511556 QVORPWOAQRVGKT-SAMUYDCASA-N 446.547 5.192 30 10 IKEE O=C(CSc1n[nH]c(NN=C2CCCCC2)n1)Nc1ccccc1Oc1ccccc1 59040221 UTEVWKWBYYQEGI-UHFFFAOYSA-N 436.541 5.060 30 10 IKEE O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1ccc(-c3ccccc3)cc1)c1c(O)n[nH]c1N2 98036772 SLQSBFMATHCORO-GCJKJVERSA-N 439.540 5.802 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)S/C1=N/c1cccnc1Cl 101126225 HZTKXAVQUGYQJY-NATJXCGNSA-N 430.316 5.882 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OC(=O)c4ccc(OC)cc4)ccc3C2=O)c2ccccc21 103024949 JQHZPJIMRMCLBJ-QFEZKATASA-N 439.467 5.505 30 10 IKEE Cc1ccc(SC2=C/C(=N/S(=O)(=O)c3cc(C)ccc3C)c3ccccc3C2=O)cc1 103746860 ZFRALANELFGRLF-ROMGYVFFSA-N 447.581 5.662 30 10 IKEE CCCCCCCCCCCC(=O)Nc1sc2c(c1C(=O)OC)CC[C@@H](C(C)(C)C)C2 108754925 ZXWQMJALSQMYMQ-LJQANCHMSA-N 449.701 7.545 30 10 IKEE CCN1C(=S)N[C@H](c2cccc(OCc3ccccc3)c2)C(C(=O)c2ccccc2)=C1C 169931933 KTCAIEIMEYXYID-RUZDIDTESA-N 442.584 5.674 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(Oc3cccc(C)c3C)cc2)NC(=S)N1 169937876 VLWPJVKJLOGSFP-DEOSSOPVSA-N 428.557 5.771 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@@H](c2cccc(OCc3ccccc3Cl)c2)NC(=S)N1 169938413 LJEUOPCFJNINHS-HSZRJFAPSA-N 448.975 5.595 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2sc(C)nc2C)=C(O)C(=O)N1c1ccc(C)cc1C 169945442 SVMDDSFSTVCHGR-OAQYLSRUSA-N 448.544 5.168 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccc(O)cc2)cc1 169958213 XUKWOHBLHATTLG-XMMPIXPASA-N 443.499 5.307 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccc(F)cc2)c1 169972438 NLZULJYEZASMKY-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2cccc(C)c2)cc1 170028434 VBCUYNMGWBGFRC-XMMPIXPASA-N 443.499 5.185 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2ccccc2)c1 170036506 ZTKKAZHEWXIFQI-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)CCc2ccccc2)=C(O)C(=O)N1c1ccc(F)c(F)c1 170088397 RYEICIGYHYDYNE-DEOSSOPVSA-N 433.454 5.375 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccco1 170090876 HQNKSXRFHRUJTH-HSZRJFAPSA-N 445.515 5.677 30 10 IKEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4ccc(F)c(C)c4)[C@H]3c3ccc(C)o3)nc2c1 170103640 RXORBZWCQUIXFM-OAQYLSRUSA-N 445.450 5.003 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2cccc(C)c2)cc1 170142221 TUTWYKQPGBSXRX-RUZDIDTESA-N 439.511 5.411 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccccn2)c1 170172474 ZIYZWPDWAPOTKK-DEOSSOPVSA-N 442.515 5.269 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccccn2)c1C 170172896 OWHSAMFOVCKRHZ-RUZDIDTESA-N 434.495 5.635 30 10 IKEE CCCOc1ccc(C2=C(Nc3ccccc3C)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170174114 UFXPXZZVUQHTJJ-UHFFFAOYSA-N 437.499 5.052 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2cccnc2)c1 170186949 YLMHIJPRXGRMPZ-XMMPIXPASA-N 442.515 5.270 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2)cc1 170221803 OKWIXWQWWYLHLK-QHCPKHFHSA-N 447.556 5.561 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccccc2)cc1 170224870 ADLLARRRFCXVPE-QHCPKHFHSA-N 425.440 5.224 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccccc1)c1ccc2c(c1)CCO2 170226967 KUQOZIIFSNEGNM-JOCHJYFZSA-N 431.875 5.058 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(Cl)cc1 170236791 GYACUCGOEBHRJA-QHCPKHFHSA-N 433.935 6.262 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@@H]1c1ccc(C(C)C)cc1 170245511 NXAPNYLHWDOVIO-NRFANRHFSA-N 427.928 5.460 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2ccc(C(C)C)cc2)cc1C 170245653 KNTLLKHAZDMLDY-XMMPIXPASA-N 435.564 5.896 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1c1ccc(F)cc1 170271080 SUZLJDQGIMXHNI-DEOSSOPVSA-N 445.490 5.704 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccco2)cc1C(C)C 170282641 YNOUIWBPAGAHSO-DEOSSOPVSA-N 445.515 5.811 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2cccc(C)c2C)o1 170302579 SRZQRZJPPGGESV-GYCJOSAFSA-N 443.499 5.311 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccc(C)o2)c(C)c1 170304743 PNTKVXBZOXZBSB-XMMPIXPASA-N 445.515 5.775 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2Cc2ccc(F)cc2)o1 170311316 FYVNVLTWQZZSOW-XMMPIXPASA-N 441.458 5.659 30 10 IKEE CN1CCC[C@@H](Oc2ccc(C#Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)C1 248145445 ROMXVLOCXKBQID-HXUWFJFHSA-N 427.388 5.597 30 10 IKEE CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)C1=NNc1ccc(Cl)c(Cl)c1 252636538 XJSRPZJVDRIRBZ-UHFFFAOYSA-N 430.320 5.308 30 10 IKEE CN(C)c1ccc(/C=C2/SC(=Nc3ccccc3)N(CCc3ccccc3)C2=O)cc1 254391895 CUIUOADXVJYRCI-YUPKMSNSSA-N 427.573 5.599 30 10 IKEE C=C(C)CN=c1scc(-c2cccs2)n1N=CC(c1ccccc1)c1ccccc1 254730501 SVBXJPSZPSMPMV-UHFFFAOYSA-N 429.614 6.421 30 10 IKEE C=CCn1c(-c2ccc(Cl)cc2)csc1=Nc1ccc(N=Nc2ccccc2)cc1 254848950 LLUDDHWESILQNA-UHFFFAOYSA-N 430.964 7.704 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)s1)NCCC 406631956 IOFDHGSJWSCTJF-JKSUJKDBSA-N 431.440 5.281 30 10 IKEE Cc1cccc([C@H]2C(c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 526489905 KLJZQTREPREOMI-QFIPXVFZSA-N 435.310 6.231 30 10 IKEE COc1cc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2ccccc2C#N)cc(Cl)c1O 526605306 ARQNRIFECPGULP-IBGZPJMESA-N 438.892 5.045 30 10 IKEE CCc1ccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccccc2)cc1 526799842 KRKPNIJMNRXJSW-DIBXZPPDSA-N 426.589 5.800 30 10 IKEE COc1ccccc1/C=N\n1c(Cc2ccccc2)nnc1SCc1cc(C)ccc1C 526819154 CLACNJXHPQBQIE-PKAZHMFMSA-N 442.588 5.669 30 10 IKEE N#Cc1cc(Br)ccc1Nc1nc(Br)c(Br)s1 686907567 CCZRMMRHMMFDKD-UHFFFAOYSA-N 437.942 5.046 30 10 IKEE CCCCCCCCCCCC[C@@H](O)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 696345223 MRYPGWKWTPQYTC-RUZDIDTESA-N 433.677 7.486 30 10 IKEE CC(C)[C@H]1CCCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 698460257 YRLFJSIQTIQWQU-VGOFRKELSA-N 435.406 6.689 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)c2cc(Br)ccc2F)c1 698471220 TZDLVAITBAVSLY-NRFANRHFSA-N 433.321 6.077 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]([C@@](C)(C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 698878025 XJNIPRDRWGUWQU-HOYKHHGWSA-N 435.609 5.486 30 10 IKEE CC(C)(C)C(=O)OCCCCSc1n[nH]c(NN=Cc2ccc(Cl)cc2Cl)n1 1083890556 VKIMTWKPCVUGMB-UHFFFAOYSA-N 444.388 5.019 30 10 IKEE Cc1cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 1084242464 YSNMKKWOURIHEJ-UDWIEESQSA-N 436.468 5.033 30 10 IKEE CC(/C=C/c1ccccc1)=NNc1nc(SCCCCOC(=O)c2ccccc2)n[nH]1 1084374540 GCUIHMVLCHDFMD-JAQDQQRZSA-N 435.553 5.035 30 10 IKEE N#Cc1ccccc1Oc1ccc(C(=O)Nc2cccc(-n3ccnc3O)c2)cc1Cl 1355514976 DSTRNYKQISOIPD-UHFFFAOYSA-N 430.851 5.148 30 10 IKEE COc1cccc(/C=C2/SC(=Nc3cccnc3Cl)N(C3CCCCC3)C2=O)c1 1772734123 OWYQHECDOFGFQI-NLEVOZIKSA-N 427.957 5.680 30 10 IKEE CC(C)(C)c1ccc(/C=C2/SC(=NN=Cc3cccnc3)N(Cc3ccco3)C2=O)cc1 1772757341 DCKIBDZCKKJLPD-GEVCSAEHSA-N 444.560 5.479 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 1861872942 DWKGLANPZVOQPV-UHFFFAOYSA-N 437.411 6.074 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1cccc(OC)c1 1862385217 JXLRGHFEMQLSSJ-HXUWFJFHSA-N 448.346 5.771 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(O)cc2)cc1 1862390012 SUZGNOIUQMORCT-DEOSSOPVSA-N 433.548 5.646 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@H]2c2ccc(C(C)C)cc2)cc1 1862394839 KXAKJVZDJSEBTP-VWLOTQADSA-N 433.592 6.531 30 10 IKEE O=C(C1=C(O)C(=O)N(C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccccc1)c1ccc(F)cc1F 1862413019 SYGVKVJGGHRZFF-TVQFERKRSA-N 449.497 5.512 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(Cl)cc1 1862417078 NTCNNNOQRIOEQC-FQEVSTJZSA-N 433.882 5.777 30 10 IKEE O=C(C1=C(O)C(=O)N(C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccccc1)c1cccc(Cl)c1 1862442173 PYNNQXNEGJHGQV-VPUNUDNGSA-N 447.962 5.887 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(O)c1 1862444187 XMVQNMXGJYYDSL-NYHFZMIOSA-N 433.891 5.385 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2c(F)cc(F)cc2F)=C(O)C(=O)N1Cc1cccs1 1862456348 PRWCRNQYYDDTJL-FQEVSTJZSA-N 443.446 5.252 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc2cc[nH]c2c1 1862476459 AKYABMUINBHIFM-RCZVLFRGSA-N 444.575 6.414 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2ccc(O)cc2)cc1 1862530587 STDSMTXBPXXHQW-VWLOTQADSA-N 441.527 5.166 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 1862536034 PJDIMVSZYWJYKA-OSPHWJPCSA-N 445.946 6.242 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862561645 WAQHOJXVVAMZEJ-XMMPIXPASA-N 432.564 5.693 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(F)cc1F 1862596186 SXIJJPFVEYXXRC-PEBXRYMYSA-N 435.426 5.010 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862614037 WJEAFBICJMQWRY-VWLOTQADSA-N 445.603 6.594 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1ccc(OCCC)cc1 1862643163 LYZFNFWSELAWHN-QFIPXVFZSA-N 441.499 5.002 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccc1[N+](=O)[O-] 1862654703 QCLRXZBCKCAVLX-QRQCRPRQSA-N 430.460 5.125 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(C(C)C)cc2)=C(O)C(=O)N1Cc1ccccc1F 1862659729 DGBMGUDGKKPNBZ-VWLOTQADSA-N 443.518 6.036 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862666209 YLJSADMPUBYQAG-QFIPXVFZSA-N 436.508 5.343 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCOc2ccccc2)cc1 1862673545 MISJOJLBVBGQHJ-XMMPIXPASA-N 445.490 5.045 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccc(F)cc1 1862684825 GUXUILUIMGGSGI-XMMPIXPASA-N 443.474 5.145 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1c(F)cccc1Cl 1862719385 KSRXAXXGYJCQEQ-QFIPXVFZSA-N 437.898 5.867 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1cccc2ccccc12)c1ccc(-c2ccccc2)cc1 1862728116 TWUYCOYTMHXUIY-HHHXNRCGSA-N 445.518 6.248 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCCCCCCC)cc2)[C@@H]1c1ccc(C)cc1 1862731361 RSMOGUMMLBPGFD-VWLOTQADSA-N 447.575 6.109 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(Cl)cc2)[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 1862737247 UYPPECGMLDCVEN-OAQYLSRUSA-N 448.862 5.027 30 10 IKEE CCCOc1ccccc1NC1=C(c2ccc(C)cc2)C(=O)N(c2cccc(C#N)c2)C1=O 1862897590 VYPTZKGUHLFOIX-UHFFFAOYSA-N 437.499 5.052 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccccc2F)C1=O 1862917926 INIGAJVUHAVLCO-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE CC(C)(C)c1ccccc1NC1=C(c2cccs2)C(=O)N(c2ccc(C#N)cc2)C1=O 1863110641 YUNGSIYINUFKNM-UHFFFAOYSA-N 427.529 5.314 30 10 IKEE CCCCCCOc1ccc2[nH]c(C(=O)Nc3sc4c(c3C#N)CCCC4)cc(=O)c2c1 1866527123 PQEXUPAEALVFOT-UHFFFAOYSA-N 449.576 5.551 30 10 IKEE CCC[C@H](NC(=O)C[C@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccccc1C#N 1866738660 GHBQNWGFYOYPDH-ZCYQVOJMSA-N 433.596 5.735 30 10 IKEE CC(C)c1nc(Nc2cccc(C#N)c2)cc(N2C[C@H](C)N(c3ccccc3)[C@H](C)C2)n1 1868221126 FRRLXWCHOOLQFN-BGYRXZFFSA-N 426.568 5.319 30 10 IKEE Cc1ccc(-c2nc(Nc3ccc(C#N)cc3)cc(N3CCc4nc[nH]c4[C@H]3C(C)C)n2)cc1 1868329394 BLTLFVGPCMRIMZ-AREMUKBSSA-N 449.562 5.550 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)Nc2cccc(C)c2C)c(=O)cc1C 1870087289 PEJDTVSFPGBKGG-UHFFFAOYSA-N 426.601 5.932 30 10 IKEE CCCCCCCCn1cc(OCCOc2ccc(C)cc2)c(=O)cc1CSCC 1870219248 VSVHQNIUYLVZMQ-UHFFFAOYSA-N 431.642 6.228 30 10 IKEE N#Cc1ccc(COc2cn(Cc3ccco3)c(CSCc3ccccc3)cc2=O)cc1 1870232895 NZICLDNWMHJKJV-UHFFFAOYSA-N 442.540 5.374 30 10 IKEE CCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CNc1ccc(OC)cc1 1871059220 ZAJWTDZYGRQOIO-UHFFFAOYSA-N 426.601 6.175 30 10 IKEE N#Cc1nc(-c2ccc(Cl)cc2)oc1S(=O)(=O)Nc1ccc(Cc2ccccc2)cc1 1871281326 KFOWRYPNHUQZIR-UHFFFAOYSA-N 449.919 5.258 30 10 IKEE CCCCC[C@@H](CC)N1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(OC)cc1)C3=O 1871347487 BNNPVBFBJCGGJZ-ZOLHPDHPSA-N 435.564 6.131 30 10 IKEE Cc1ccc(C)c(CN2COc3cc(C)c4c(c3C2)O/C(=C\c2cccc(F)c2)C4=O)c1 1871349712 YPMVKHZSBMVQNS-MSXFZWOLSA-N 429.491 5.719 30 10 IKEE CCc1ccc([C@@H](C)N2COc3cc(C)c4c(c3C2)O/C(=C\c2cccs2)C4=O)cc1 1871353932 BNRQNZALMWKZLQ-SUVVMJBMSA-N 431.557 6.148 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4C)cc(C)c3C2=O)c1 1871372221 GILXLTGLZMPXSG-UUYOSTAYSA-N 445.427 5.056 30 10 IKEE COc1cc(/C=C2\Oc3cc(OCCCc4ccccc4)ccc3C2=O)cc(OC)c1OC 1871399940 XFIBAVHUQVMKSU-UCQKPKSFSA-N 446.499 5.340 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2cccc(OC)c2)C3=O)cc1 1871412015 TZVLMLOVUBIPHA-HAWKZNDISA-N 443.499 5.280 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)c1 1871412492 TTYAJTYXJWRLON-ZKDCOOFMSA-N 447.918 5.979 30 10 IKEE CCc1ccc(NC(=O)[C@H](CC)Oc2ccc3c(c2)O/C(=C\c2cccs2)C3=O)cc1 1871425039 DXOZILDPEXCBPF-XUVWKZFSSA-N 433.529 5.723 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1cc(C)ccc1C 1871856704 FEHAKGLIHVKTLZ-JOCHJYFZSA-N 446.588 5.063 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccc(C)cc3)n2)cc1Cl 1872785062 DNCRTQPWMHAVLM-GOSISDBHSA-N 440.952 5.816 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc2nc(COc3ccc(C)cc3C)[nH]c2c1 1872810793 DGPCAXHKXVJNPQ-UHFFFAOYSA-N 435.612 6.629 30 10 IKEE CCCCCCCCNC1=C(c2ccc(-n3cccc3)cc2)C(=O)N(Cc2ccco2)C1=O 1873038119 JEZOPABPCQFPBI-UHFFFAOYSA-N 445.563 5.301 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc3c[nH]nc3c1)n2CC 1873619642 JUAPIDXOHGINAA-UHFFFAOYSA-N 433.560 5.352 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(N(C)C)cc2)cc2c(NCCCCCCCC)ncnc21 1873620971 DFJYDYIKTDJYOY-UHFFFAOYSA-N 448.615 5.708 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C(F)(F)F)cc2)cc2c(NCCCCC)ncnc21 1873622897 OWDMLBUSQHRDSJ-UHFFFAOYSA-N 431.462 5.491 30 10 IKEE CCCCCCCCNC(=O)COc1cc2c(c3oc(=O)cc(C)c13)CCC(C)(C)O2 1873886343 QXMHGCMNWLHQNJ-UHFFFAOYSA-N 429.557 5.061 30 10 IKEE CCCSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1cccc(OCC)c1 1874258620 AJLNKGIBTIQUCW-KOEQRZSOSA-N 438.597 5.593 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccc(Cl)cc3)n2/N=C/c2ccccn2)cc1 1874280936 JJCYEWRCPBIZPB-JVWAILMASA-N 447.995 5.595 30 10 IKEE Cc1ccccc1CCc1nnc(SCCc2ccccc2)n1/N=C/c1ccccc1 1874362217 UCRZEAQGBIYIBE-NHFJDJAPSA-N 426.589 5.589 30 10 IKEE CSc1nnc(Cc2ccccc2F)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874372562 GRKZCGDJZLLBPY-WGOQTCKBSA-N 432.524 5.191 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3)n2/N=C/c2ccccc2O)c1 1874403056 RIXMDPMDLQLKMV-WPWMEQJKSA-N 442.588 5.560 30 10 IKEE CCSc1nnc(C(F)(F)F)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1874459756 DZIKDVHQUUCVLP-BHGWPJFGSA-N 440.878 5.524 30 10 IKEE CCOc1cc(/C=N/n2c(SCC)nnc2-c2ccco2)ccc1OCc1ccccc1 1874465169 WBQCDOZEDOPWMC-PCLIKHOPSA-N 448.548 5.510 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(C(C)(C)C)n2/N=C/c2ccc(CC)cc2)o1 1874481550 BDOMMVGVQNPTGN-ZVHZXABRSA-N 440.569 5.082 30 10 IKEE CCOc1c(/C=N/n2c(CC(C)C)nnc2SCc2cccc(F)c2)cccc1OC 1874487587 FMZAEGIFDIWXCB-AFUMVMLFSA-N 442.560 5.198 30 10 IKEE CCCOc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2ccccc2F)cc1 1874489831 NCZPEJZRKSLSGL-MFKUBSTISA-N 426.561 5.579 30 10 IKEE O=[N+]([O-])c1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CCC2)cc1 1874496225 ARLOPZLTLOEHIK-MFKUBSTISA-N 443.532 5.782 30 10 IKEE C=C(C)CSc1nnc(C2CC2)n1/N=C/c1ccc(OCCCCCC)c(OC)c1 1874519326 NJTWQRGWZHBGBF-BUVRLJJBSA-N 428.602 5.674 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C2CC2)cc1 1874520959 TUJFYAOFHCKRKR-WYMPLXKRSA-N 447.391 6.036 30 10 IKEE C=C(C)CSc1nnc(CC)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874526862 LCWULJCSHVABMN-ZMOGYAJESA-N 426.973 5.623 30 10 IKEE C=C(C)CSc1nnc(C)n1/N=C/c1ccc(OCCCc2ccccc2)c(OC)c1 1874532647 UHBDPTYRQFRUDJ-PCLIKHOPSA-N 436.581 5.157 30 10 IKEE Cc1cccc(C)c1OCc1nnc(S)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874565259 QQWKSNSOKTZPDV-CVKSISIWSA-N 444.560 5.224 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2ccc(F)cc2)cc1C 1874574517 QDESXJKZFMGLNJ-NTUHNPAUSA-N 449.478 5.065 30 10 IKEE CCCOC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1cc(C)cc(C)c1OC 1874585854 ISQCSQARWHYTMZ-VAWYXSNFSA-N 432.516 5.693 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2ccc(Cl)cc2)c(C)c1C 1874586348 JUTFNPFABFQUFD-GXDHUFHOSA-N 436.935 6.449 30 10 IKEE C=C(C)COc1ccc(Br)cc1/C=C/C(=O)c1ccc(OC)c(OC)c1OC 1874592148 FXDQMZIHSJLREX-RMKNXTFCSA-N 447.325 5.326 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1OC 1874603079 LHBMULQPXZTIIS-BJMVGYQFSA-N 437.423 5.226 30 10 IKEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1OC 1874606646 ZAKLJKIXHNTVMQ-UXBLZVDNSA-N 436.335 5.145 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(OC)c(OCc2cccc(Cl)c2)c(OC)c1 1874610376 PTVAJWCEXYZITO-VAWYXSNFSA-N 438.907 5.841 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1Cl)Nc1ccc(F)cc1 1874613466 VVBIGFAGAFGCGV-QQDOKKFESA-N 444.289 6.046 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2)cc1OC(=O)[C@H](C)Oc1ccc(Cl)cc1 1874700738 JYRSDKHAUIZDTE-AAKUMTKESA-N 436.891 5.618 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1OC(=O)[C@@H](C)c1ccccc1 1874708023 IYRJUDMJEOZCAV-UQCBTIDJSA-N 436.507 6.454 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccc(F)c(F)c2)c1 1874717959 HPBVZQIYHCKWHR-WEVVVXLNSA-N 428.818 5.742 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(C(C)C)cc2)CSc2nnc(COC)n21 1874873706 VJKLDQZCIYRRRB-OAQYLSRUSA-N 444.645 5.610 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc(Cl)c1OC(=O)C(C)(C)C 1875080739 QQYLJUUHJRJESD-XNTDXEJSSA-N 448.946 6.863 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(C)cc3C)c(OC)c2)cc1 1875101043 HJZMEEHEIWXEME-UKTHLTGXSA-N 444.527 5.755 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)Cc2ccc(C)c(C)c2)c([N+](=O)[O-])c1 1875118769 NIRLKKPXYGLDGV-ZRDIBKRKSA-N 445.471 5.264 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1Cl 1875139385 GKOJZQLHRVAWSW-FYWRMAATSA-N 426.984 7.509 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)CCc1ccccc1 1875142784 UAPOLWAYVZJAEH-NTEUORMPSA-N 432.491 5.967 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1 1875143522 DFRMWEXVAOWNEJ-RVDMUPIBSA-N 430.500 5.447 30 10 IKEE Cc1cncc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2[N+](=O)[O-])c1 1875148576 QECZMKIBDAYEGU-VZUCSPMQSA-N 444.487 5.711 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(F)c3)cc2[N+](=O)[O-])cc1 1875162247 DUMAHFOIKZCKIW-UXBLZVDNSA-N 437.398 5.226 30 10 IKEE C=CCN(CC=C)C(=O)c1cc2c(NCCCCCCCCCC)ncnc2n1CC=C 1875228853 HOARJQZHJFDYHK-UHFFFAOYSA-N 437.632 5.984 30 10 IKEE C[C@@H]1CCC[C@](C#N)([C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1 1875690582 WFHCOLOJTFWGCX-WVLFPKRMSA-N 441.571 6.598 30 10 IKEE C=CCN(CC[C@@H](NCC)c1cc(F)c(Br)cc1F)C(=O)OC(C)(C)C 1895073451 PSAAFIFTMYZHNF-QGZVFWFLSA-N 433.337 5.191 30 10 IKEE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccc(C#N)c1 1984696241 WZWWCGQYMZFBEA-RUZDIDTESA-N 439.515 5.060 30 10 IKEE COc1ccc(C(=O)C=Cc2c(C)nn(Cc3cccc4ccccc34)c2Cl)cc1OC 2040458425 WLYKLGGSGVHJDK-UHFFFAOYSA-N 446.934 5.960 30 10 IKEE CCOc1c(Br)cc(C=C(C(=O)c2ccccc2C)c2ncc[nH]2)cc1OC 2053631438 KIUPOFCAJUHYLD-UHFFFAOYSA-N 441.325 5.311 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@]1(CCC)CCCCN1C(=O)OC(C)(C)C 2056336640 WGXOMDMPFLYAOU-SQHAQQRYSA-N 444.660 6.088 30 10 IKEE Cc1ccc([C@@H](n2nc(C3(C)CC3)c(/C=N/O)c2I)C2(C)CC2)cc1 2079023710 UVHYONLUYBRORS-ORWNMUSCSA-N 449.336 5.045 30 10 IKEE Cc1ccc([C@H](n2nc(C3(C)CC3)c(C#N)c2I)C(C)(C)C)c(C)c1 2079049794 MPFWEBMMXBDAQR-SFHVURJKSA-N 447.364 5.663 30 10 IKEE COc1ccc([C@@H](n2nc(C3CCC3)c(C=NO)c2Br)C(C)(C)C)cc1C 2079985908 MZDIFIYMODVCKR-LJQANCHMSA-N 434.378 5.674 30 10 IKEE CC[C@@H](c1ccc(C2CCC2)cc1)n1nc(C(F)F)c(C#N)c1I 2080001279 GKJNVLMYYYQGFS-HNNXBMFYSA-N 441.263 5.564 30 10 IKEE CCCOc1ccc([C@H](C(C)C)n2nc(C(F)F)c(C=NO)c2Br)cc1 2080087124 HUDZRTVURIQHIW-INIZCTEOSA-N 430.293 5.426 30 10 IKEE COc1ccc(Br)c(-c2cc(Cl)n3nc(C4CCCCC4)c(C#N)c3n2)c1 2081163189 INGOTZLKWZXTNI-UHFFFAOYSA-N 445.748 5.740 30 10 IKEE CCC[C@@]1(Nc2cc(Br)c(C#N)cc2F)CCN(C(=O)OC(C)(C)C)C1 2105994330 CWGKUGXCHRKLJC-LJQANCHMSA-N 426.330 5.051 30 10 IKEE Cc1c(Cl)cc(COc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1Br 2167554511 ANDFNDXCKVXKEH-UHFFFAOYSA-N 437.570 5.289 30 10 IKEE CN(Cc1ccc(NC(=O)OC(C)(C)C)cc1)c1ccc(C#N)c(Br)c1F 2174809668 CJEYMIZOJPVEEI-UHFFFAOYSA-N 434.309 5.443 30 10 IKEE CCCCCCCCCC[S@](=O)C(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O 2195281410 BGCJDJAGLPHJMA-KEEVHDRGSA-N 439.618 5.034 30 10 IKEE COc1cc(C)cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)c1 2201258159 UZYHJQLIZQJOEZ-IBGZPJMESA-N 431.330 5.773 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)C[C@@H](C)N(CC)C(=O)OC(C)(C)C 2235745308 BXMGYAPSYDRLSV-MJGOQNOKSA-N 437.422 5.204 30 10 IKEE CC1(C)OB(c2ccccc2NC(=O)OCC2c3ccccc3-c3ccccc32)OC1(C)C 2241557981 CWBMFQTXSFMCDT-UHFFFAOYSA-N 441.336 5.347 30 10 IKEE C#CCN(C(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C 2243925396 VLSDDQOGUOZHKQ-RUZDIDTESA-N 446.591 5.200 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1sc(Br)c(C)c1C 2254670178 DOKXTAPLWPFKGV-HUUCEWRRSA-N 429.424 5.085 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Br)ccc1[C@@H](N)C#Cc1ccccc1Cl 2277841745 RGEBSEWYYYKVKH-KRWDZBQOSA-N 435.749 5.501 30 10 IKEE CCCCCCCC[C@@H](OCCN)c1scc(Br)c1Br 2293376630 YSILRWUUTOQURO-CYBMUJFWSA-N 427.246 6.040 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(Nc2cccc(Br)c2)C[C@H]1C(F)(F)F 2294637924 WPPVLWIYQIDGJP-WMLDXEAASA-N 448.283 5.085 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)C(=C(O)c4ccccc4)[C@H]3c3ccco3)sc2c1 2296777459 HGMBSJAACADSDG-HXUWFJFHSA-N 430.485 5.078 30 10 IKEE CCCN(C(=O)OC(C)(C)C)C1(C#N)CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 2307667856 SALVSKWLXKTESM-IQJRZOLZSA-N 435.609 5.343 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1Cl)C2=O)c1ccccc1Cl 2314438605 YTHYKAVGRQLIFF-UHFFFAOYSA-N 445.685 6.482 30 10 IKEE COc1cccc(C=C2SC(=Nc3nccs3)N(C3CCCCC3)C2=O)c1OC 2314543113 VXWRNWUHEPXQBE-UHFFFAOYSA-N 429.567 5.097 30 10 IKEE N#CC1(CSc2cc(I)ccc2Br)CCCCC1 2316461878 HNRUWCUGBIKKLR-UHFFFAOYSA-N 436.156 5.620 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1cccc(Cl)c1Cl 2318574221 HPXKPCGJGGXRQB-UHFFFAOYSA-N 447.435 6.719 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@H](C#N)C12CC(CCN1C(=O)OC(C)(C)C)C2 2318783841 XXWPNCPZCSYSAG-HTQWRTEZSA-N 445.535 5.249 30 10 IKEE CCCCCCCCCOc1ccc(C=Nn2c(S)nnc2CC(C)C)c(Cl)c1 2321908046 KXIYRYVIITWAQV-UHFFFAOYSA-N 437.053 6.430 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc3c2CN(CCc2ccc(Cl)cc2)CO3)C1=O 2321928182 XBQJJBIDQBHULC-UHFFFAOYSA-N 447.918 5.359 30 10 IKEE CCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1cn(CC)c2ccc(OC)cc12)C3=O 2322042435 LVJWDCBSFBXZIP-UHFFFAOYSA-N 446.547 5.546 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc4c(c1)OCO4)O3)CN([C@H]1CCCC[C@H]1C)CO2 2322153110 HBCCYXDBAPIPAX-BEFAXECRSA-N 433.504 5.071 30 10 IKEE CCOc1ccccc1C=Nn1c(S)nnc1CCCOc1ccc2ccccc2c1 2322267168 WRQCTTFPPRSAQZ-UHFFFAOYSA-N 432.549 5.013 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(Cl)cc1Cl)C3=O)CN(Cc1ccco1)CO2 2322307886 JTNDZRUTIOCHOU-UHFFFAOYSA-N 442.298 5.863 30 10 IKEE Cc1ccc(COc2ccc3ccccc3c2C=CC(=O)c2ccc3c(c2)CCCC3)cc1 2322333366 JAPNUNBNBSJMKX-UHFFFAOYSA-N 432.563 7.502 30 10 IKEE Cc1cc(OC(=O)c2ccc(Br)cc2)cc2c1C(=O)C(=Cc1ccccc1)O2 2322708369 DOXKWCGJXWBFDL-UHFFFAOYSA-N 435.273 5.593 30 10 IKEE Cc1cc(OC(=O)c2ccncc2)cc2c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O2 2322828451 CEJRSWYQVHYKMO-UHFFFAOYSA-N 426.255 5.532 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)c1OCc1ccccc1 2322953336 XYUQRCXPPZVGAU-UHFFFAOYSA-N 448.990 7.430 30 10 IKEE O=C(CCCOc1ccccc1)Oc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O 2323177508 ALICDKIIDLELIJ-UHFFFAOYSA-N 434.875 5.721 30 10 IKEE CCOc1cc(C=NNc2nc(O)cc(-c3ccccc3)n2)ccc1OCc1ccccc1 2323259364 UBCLYZMOIGJHTK-UHFFFAOYSA-N 440.503 5.273 30 10 IKEE Cc1ccc(COc2ccc(C=CC(=O)c3ccc(F)cc3F)cc2Br)cc1 2323721210 XAZXOKXSOUBPFR-UHFFFAOYSA-N 443.287 6.511 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(C=CC(=O)c3ccccc3)cc2[N+](=O)[O-])c1C 2323812473 QLLSWIPTPWRHLJ-UHFFFAOYSA-N 430.460 5.125 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2F)C3=O)cc1 2323829743 NYDZVHYOIGUFQK-UHFFFAOYSA-N 432.447 5.758 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 2323840043 FPQLNISSBYJYCD-UHFFFAOYSA-N 436.935 6.613 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2[N+](=O)[O-])o1 2323858366 MZGAKTJDHAVGOP-UHFFFAOYSA-N 449.459 5.456 30 10 IKEE CC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2sccc2C)C3=O)c1 2323900847 DQHLRZARVNLFHG-UHFFFAOYSA-N 434.469 5.126 30 10 IKEE CC(C)C(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccs2)C3=O)c1 2323909003 JQPTWIYOZXOUJB-UHFFFAOYSA-N 434.469 5.145 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(OC)c1OCc1cccc(C)c1 2324082548 IUDBQHNGUVJJTN-UHFFFAOYSA-N 432.472 5.216 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1Cl)Nc1ccc(F)cc1 2324184264 RHJFKEVUASZZLM-UHFFFAOYSA-N 427.834 5.532 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(OCCOc4ccccc4)c3C)C2=O)c2ccccc21 2324220444 JLUUGSGBAZGRLH-UHFFFAOYSA-N 439.511 6.044 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OCc3ccccc3)c(OC)c2)c(C)c1C 2324297956 YKBHYELIYMKEFK-UHFFFAOYSA-N 432.516 5.804 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccccc2)C3=O)c1 2324456124 ZBKXOMOEWQPVLR-LJQANCHMSA-N 427.500 5.634 30 10 IKEE CCc1ccc(OCCCOc2ccc3c(c2C)OC(=Cc2cccc(F)c2)C3=O)cc1 2324662097 GWUDLYRUERJHJA-UHFFFAOYSA-N 432.491 6.161 30 10 IKEE CCCCCCOC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O 2325027827 DKPLPUJRTRWCGD-UHFFFAOYSA-N 428.912 5.767 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCC(=O)Nc3c(C)cccc3C)ccc2C1=O 2325493222 URVLGTSETTZJJD-UHFFFAOYSA-N 443.499 5.336 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccc(Cl)cc3)c2)c1 2325706178 OOEOUHBWSSPVQE-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(Cl)cc4C)ccc3C2=O)cc1 2325716281 QFYAXHPATGUHHJ-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE Cc1c(OCC(=O)Nc2ccccc2Cl)ccc2c1OC(=Cc1cccc(F)c1)C2=O 2325718133 HXWCTQMYMQHFTQ-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccco3)c2)cc1Cl 2325759255 HJSUKCHYYQJWHZ-UHFFFAOYSA-N 442.851 5.074 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc(C)cc1 2326592160 DHQSDZJYRGFJMD-UHFFFAOYSA-N 426.589 6.075 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2C)n1N=Cc1sccc1C 2327094583 AIFMBINJRQWHLK-UHFFFAOYSA-N 426.611 5.518 30 10 IKEE CCCSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1ccc(Cl)cc1 2327210847 VSEYHQWXDPNPOH-UHFFFAOYSA-N 428.989 5.636 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(OC)cc2)n1N=Cc1cccc2ccccc12 2328383737 VXOIAMDGDXKNQW-UHFFFAOYSA-N 444.560 5.569 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2ccc[nH]2)cc1 2328562961 BJERKIKZVCQPRB-UHFFFAOYSA-N 431.565 5.079 30 10 IKEE COc1ccc(C=C2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)c(OC)c1 2328655238 LTNWJWAEOZJETD-VQKIBPOBSA-N 436.592 5.590 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2OC)n1N=Cc1cccc(OCC)c1 2328687928 NEKNDJACYKTLMV-UHFFFAOYSA-N 436.581 5.021 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2cccs2)c1 2330645595 UOKVCWABUIVUDJ-UHFFFAOYSA-N 447.589 5.236 30 10 IKEE COc1cc(C=Nn2c(CC(C)(C)C)nnc2SC)ccc1OCc1ccc(C)cc1 2330799033 CMJKTIKPLGAZDE-UHFFFAOYSA-N 438.597 5.367 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2cccs2)c1 2331018548 MQCYGOKVGBRSDX-UHFFFAOYSA-N 439.610 5.227 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OC(=O)c1c(F)cccc1Cl 2331159671 ZSMATHOTAPVGLA-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2Cl)cc1 2331167749 QVVNILUMJVTDAV-UHFFFAOYSA-N 436.891 5.619 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl 2331183759 IQKVDISIVOSQPM-NHCUHLMSSA-N 432.903 5.954 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)C23CC4CC(CC(C4)C2)C3)cc1 2331352285 CABIOYSVPNZYEM-UHFFFAOYSA-N 430.544 6.022 30 10 IKEE COCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1OC 2331410940 UWRWOKZCPVJWRX-UHFFFAOYSA-N 430.928 5.484 30 10 IKEE COCC(=O)Oc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1Br 2331416707 PMBSEXNMBQBNEW-UHFFFAOYSA-N 431.326 5.195 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2sccc2C)cc1 2331633344 MZSVNCRRUGSTQS-UHFFFAOYSA-N 447.339 6.487 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1C 2331704580 GASNQRJMVYQCMT-UHFFFAOYSA-N 432.519 7.086 30 10 IKEE C=CCSc1nnc(C(C)C)n1N=Cc1ccc(OCc2ccccc2)c(OCC)c1 2331704902 WPOBFTHRKMOOSZ-UHFFFAOYSA-N 436.581 5.540 30 10 IKEE Cc1cccc(CSc2nnc(C3CC3)n2N=Cc2cc(Br)ccc2O)c1 2331731278 XNCXZCQSLUZGMP-UHFFFAOYSA-N 443.370 5.107 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(Cl)c2)cc(Cl)c1OC(=O)C1CC1 2331833502 ACJOWMJPZFMQDN-UHFFFAOYSA-N 435.303 5.612 30 10 IKEE C[C@@H](C[C@@H](C)CNC(=O)OC(C)(C)C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339595765 DOQOEEQMCWXNJR-MSOLQXFVSA-N 446.397 5.044 30 10 IKEE CCCCCCCCCCC(=O)c1ccc(OCc2ccccc2)cc1Br 2361152576 CWBMWBBQTBGDID-UHFFFAOYSA-N 431.414 7.742 30 10 IKEE C=CCN(CC[C@@H](NC)c1c(C)c(C)c(Br)c(C)c1C)C(=O)OC(C)(C)C 2372289548 STRJMZXRGXHQQH-GOSISDBHSA-N 439.438 5.756 30 10 IKEE CC1=C/C(=N\N=C2\N=C(O)[C@@H](CC(=O)Nc3c(C)cc(C)cc3C)S2)CC(C)(C)C1 4576721 RATBAAOBPJZNHA-WNIQNGNASA-N 426.586 5.491 30 10 IKEE CCCCCCCC/C=C\CCCCCCCC(=O)OCC(=O)COP(=O)(O)O 8218750 YZKFNNQAEBNCEN-KTKRTIGZSA-N 434.510 5.246 30 10 IKEE in-vitro Cc1ccc(/N=C2\S[C@H](CC(=O)c3cc(C)ccc3C)C(=O)N2c2ccc(C)cc2)cc1 15055137 DPELVBFEAKIRNE-KQWPUEFFSA-N 442.584 6.329 30 10 IKEE COc1ccc([C@@H]2N=C(Nc3nc4ccccc4s3)NC3=C2C(=O)CC(C)(C)C3)cc1 17098073 FAGXYETUEBPDFF-NRFANRHFSA-N 432.549 5.061 30 10 IKEE CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(O)c2)cc1 20885420 LATJSUAWBNBKQF-WTYVLRPYSA-N 438.571 6.669 30 10 IKEE O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@H](c1ccc(O)c([N+](=O)[O-])c1)Nc1ccccc1N2 21251241 IQFYJOASILEHTC-LMKMVOKYSA-N 445.450 5.419 30 10 IKEE CCc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 21260560 FWHSRLJDKIWPTR-NFQMXDRXSA-N 439.515 6.137 30 10 IKEE Cc1ccccc1N/C(=N\C(=O)c1ccccc1Cl)NCCc1c[nH]c2ccccc12 32943165 GQADRNJCDWLNDI-UHFFFAOYSA-N 430.939 5.570 30 10 IKEE CCOc1ccc2oc(C)c(C(=O)Oc3ccc(/C=C\C(=O)c4ccc(C)cc4)cc3)c2c1 34954966 NMWMRACENXHTTJ-DHDCSXOGSA-N 440.495 6.564 30 10 IKEE COc1ccc(CCn2c(O)c(/N=N/c3cc(C)ccc3C)c(C)c(C#N)c2=O)cc1OC 39871204 GKRXVQHEVJPWEL-BYYHNAKLSA-N 446.507 5.026 30 10 IKEE C[C@@H]1CCc2c(C#N)c(NC(=O)COc3ccccc3-c3ccccc3)sc(=S)c2C1 41016757 XOCZCOXBYNIQMC-MRXNPFEDSA-N 446.597 6.159 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2C)C3=O)cc1OC 41289481 ULURKZMKFJIKCV-QRVIBDJDSA-N 430.456 5.156 30 10 IKEE Cc1cc(OC(=O)c2cc3ccccc3o2)cc2c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O2 41352600 DUWCZCKEXZWERM-NHDPSOOVSA-N 441.395 5.485 30 10 IKEE Cc1ccccc1/C=N\N=C1\S/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccco1 47138658 MKCPQCFEXVEKOS-TZOGYSKPSA-N 446.488 5.003 30 10 IKEE C=CCn1c(SCC(=O)C2C3CC4CC(C3)CC2C4)nnc1-c1cccc(Cl)c1 59794685 KQCYAMYSALIDRI-UHFFFAOYSA-N 428.001 5.518 30 10 IKEE Cc1ccc(-c2nc3sc4c(c3c(=O)n2Cc2cccc(C#N)c2)CC[C@@H](C)C4)cc1 96532459 HAQHNJFBRPTWHO-QGZVFWFLSA-N 425.557 5.478 30 10 IKEE C/C=C\CS/C(=N/S(=O)(=O)c1ccc([N+](=O)[O-])cc1)Sc1ccc(Cl)cc1 98038479 UYJRVIXDNKROQI-ZLMWRVFCSA-N 442.971 5.395 30 10 IKEE CCN1C(=O)C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)S/C1=N\c1ccc(F)cc1 100197362 SXDMNGBSXDKZSW-PWEHGMCJSA-N 440.327 5.113 30 10 IKEE CCCCCCCCCCn1c(CCCCCNC(=O)C(CC)CC)nc2ccccc21 102163932 HDIQUANZYXVSAL-UHFFFAOYSA-N 441.704 7.442 30 10 IKEE CCCCCCCCCCCCCCCCn1c(Cc2ccccc2C)nc2ccccc21 102182802 SLZSXTOQJZRMHH-UHFFFAOYSA-N 446.723 9.417 30 10 IKEE CCCCCCCCCOc1ccc([C@H]2NC(=S)NC3=C2C(=O)CCC3)cc1OC 169938868 PZALRNACBFLZJQ-HSZRJFAPSA-N 430.614 5.351 30 10 IKEE COc1ccc(/C=N\Nc2nc(-c3c(C)cc(C)cc3C)cs2)cc1Br 169942593 GDOHRCBSKLXBNE-YVNNLAQVSA-N 430.371 5.952 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccccc2OC)cc1 169944291 NYJLMLCCKZHIEL-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccccc2)c1 170047636 KFKWORGEFSSQMA-SANMLTNESA-N 449.506 6.021 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2ccccc2)ccc1F 170052334 MYNUOLGSBCFSRO-JOCHJYFZSA-N 435.882 5.879 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccccc2)c1 170118016 HEXVLBGQHVGSRJ-QHCPKHFHSA-N 425.440 5.224 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccc(O)cc1)c1cc2ccccc2o1 170131286 URYHXSKRKTUVLY-QFIPXVFZSA-N 429.403 5.060 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2c2cccc(F)c2)c1 170140137 QMQUIQUUQPJQDP-RUZDIDTESA-N 441.502 5.796 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccc(C)c2)c1 170141568 WWRPKPGWLOBNBW-HSZRJFAPSA-N 447.918 5.830 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2cccnc2)c1 170186951 YLMHIJPRXGRMPZ-DEOSSOPVSA-N 442.515 5.270 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2cccnc2)cc1C 170189095 VYLKKDSXDQYPTF-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@H]1c1ccccc1 170227970 TYUHTRHBQLMFEQ-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccccc2C)cc1 170272474 LQQQAGIHIMVDMI-SANMLTNESA-N 433.507 6.240 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccco2)ccc1Cl 170290326 WKIAKHIWGFNRNK-LJQANCHMSA-N 445.805 5.003 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1ccc(C)o1 170305357 JCZFEUMUEFPVJB-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C)o2)cc1C(C)(C)C 170306935 FVEKZJUFNVXFCM-JOCHJYFZSA-N 449.503 5.266 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@H]1c1c(C)[nH]c2ccccc12 170311938 ZJDDFJUPHQCSLQ-XMMPIXPASA-N 446.547 5.644 30 10 IKEE C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCC)c1 170324405 FFIJFFOROZNLHU-HSZRJFAPSA-N 435.520 5.027 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2cc(F)ccc2F)cc1 170454752 CDBRSUCITGLMFZ-HSZRJFAPSA-N 442.506 5.326 30 10 IKEE CCCOc1ccccc1N1C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]1c1ccc(C(C)(C)C)cc1 170469819 NGITUVLMGKHGDW-HSZRJFAPSA-N 449.591 6.288 30 10 IKEE Cc1cc2sc(N3C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]3c3cccnc3)nc2cc1Cl 170482717 BHQBYLUCROXQBL-QGZVFWFLSA-N 441.940 5.168 30 10 IKEE CCCCCCCCCCn1c(CCNC(=O)/C=C\c2ccccc2)nc2ccccc21 207847190 SLBWJFPIKDUPEW-VXPUYCOJSA-N 431.624 6.549 30 10 IKEE CSc1nc(-c2cccc(Cl)c2)c(C#N)c(N(Cc2ccccc2)c2ccccc2)n1 243200107 KENLPCIZFLLDRQ-UHFFFAOYSA-N 442.975 6.729 30 10 IKEE C=CCn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nnc1C(F)(F)F 253574019 SBUMDNALCOLVIN-UHFFFAOYSA-N 448.495 5.405 30 10 IKEE C=CCn1c(-c2ccccc2)c(NC(=O)c2ccccc2)sc1=NN=Cc1ccccc1 254494489 CHGTZCQDZPMJEW-UHFFFAOYSA-N 438.556 5.590 30 10 IKEE CCCN[C@H](CC#CC(C)(C)C)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 407431778 RNWSMMWOUKZKFM-GOSISDBHSA-N 437.422 6.276 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2c[nH]c3ccccc23)cc1 526486104 KGMFHUSDQRJNSL-AREMUKBSSA-N 449.510 5.886 30 10 IKEE COc1ccc([C@H]2C(c3cccc4ccccc34)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1O 526491005 JEYIRJDZQMTFOP-SANMLTNESA-N 448.478 5.483 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(OC(C)C)cc2)cc1 526515363 JVGSZBUWZDMGPF-RUZDIDTESA-N 440.499 5.411 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccco2)cc1OCC 526519378 CDYFTCQONKNHGK-HSZRJFAPSA-N 430.460 5.006 30 10 IKEE O=[N+]([O-])c1cccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccccc2)c1 526799831 KFFMZRHETTYSCX-UQQQWYQISA-N 443.532 5.146 30 10 IKEE CN(C)c1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 586252509 WNAJRYPCMDQRIC-UHFFFAOYSA-N 447.604 5.317 30 10 IKEE C=CCNC(=O)Nc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 586607742 IVKJCJCRWKYERU-UHFFFAOYSA-N 442.544 5.832 30 10 IKEE CC(=O)ON=C1C=C2CC[C@@H]3[C@@H]4C[C@H]5CCCC[C@@]5(C(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 607747288 LQJAXDXIQDWPOB-LVRQLLCASA-N 425.613 6.244 30 10 IKEE COc1nsc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)c1Br 690154102 UZSNMHSJWIWBLM-LBPRGKRZSA-N 442.310 5.060 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@](C)(C#N)C1CCN(C(=O)OC(C)(C)C)CC1 698483213 IRSACRZTONKQET-RUZDIDTESA-N 443.588 5.666 30 10 IKEE C=CCc1cccc(C=NN2C(=O)c3ccccc3N[C@H]2c2cccc(CC=C)c2O)c1O 1083894891 GCSOQTVZDUNLIC-AREMUKBSSA-N 439.515 5.155 30 10 IKEE CCCOc1ccc(NC(=O)[C@H]2CC(=O)N(CC)C(=Nc3ccc(Cl)cc3)S2)cc1 1084630933 HUDROOWUKYUZRY-LJQANCHMSA-N 445.972 5.109 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](CS)[C@H](c2cc(C(F)(F)F)ccc2Br)C1 1614694743 RFVBIMYDTKSTHK-ZWNOBZJWSA-N 440.325 5.348 30 10 IKEE N#CCc1ccc(-c2ccc(OC(F)(F)F)cc2)c(-c2ccc(OC(F)(F)F)cc2)n1 1848361648 AWSAZNSTKWAIMF-UHFFFAOYSA-N 438.327 6.279 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc3c(OC(=O)c4ccc(F)c(F)c4F)cccc23)c1 1858929862 GQFYQEYTUIVAFY-UHFFFAOYSA-N 446.384 5.600 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCC)NC(=O)c1ccc(OCCCC)c(OCC)c1 1861750746 YUHXKOVBSXKRKZ-JOCHJYFZSA-N 448.648 5.639 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(OCCC)c(OCCC)c2)n(CCC)n1 1862342824 HREUKXWAXFDUDF-UHFFFAOYSA-N 425.573 5.352 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccccc2F)cc1 1862391061 RQCDOEHUYLPMLZ-XMMPIXPASA-N 444.506 5.342 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(CC)cc2)cc1 1862530164 NQPGZAKNKQCSFR-AREMUKBSSA-N 439.555 5.632 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862532956 FZXOXINQJYGPAE-QHCPKHFHSA-N 442.540 5.570 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@@H]1c1ccccc1Cl)c1cccc(O)c1 1862595749 PKRXSMZPUIPMRT-HSZRJFAPSA-N 447.918 5.257 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(OC)c(O)c1 1862618934 JZCOVQQFBOCBRM-OYHNWAKOSA-N 437.536 5.075 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(C(C)C)cc1 1862664999 WDMRKBZEYOTACM-VWLOTQADSA-N 449.591 5.938 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1cccc2ccccc12)c1ccc(F)cc1 1862677278 CCHINGJWXFCEPD-DEOSSOPVSA-N 438.458 5.152 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2ccc(C)cc2)cc1 1862687614 NDBVDAWCGRBLSD-DEOSSOPVSA-N 427.500 5.091 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1c(Cl)cccc1Cl 1862690174 JGZVKLMRQULVSC-FQEVSTJZSA-N 448.346 5.771 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862691556 PFCVIZNRNNDQHB-HSZRJFAPSA-N 430.504 5.088 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(C(C)(C)C)cc1 1862719691 OLAHEAVFHDWICG-XMMPIXPASA-N 427.544 6.124 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(Cl)cc2)C1=O 1862795726 RGMIRIWDELTMBL-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE N#Cc1ccccc1N1C(=O)C(Nc2cccc(F)c2)=C(c2cccc3ccccc23)C1=O 1862854274 PQGRTHNXPJNSOR-UHFFFAOYSA-N 433.442 5.247 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(C(C)C)cc3)C2=O)cc1C 1862876116 HUJUDWRZMZEHEN-UHFFFAOYSA-N 435.527 5.695 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(OC(C)C)cc3)C2=O)cc1 1862890016 ROHARDUAJUSMDL-UHFFFAOYSA-N 437.499 5.051 30 10 IKEE CSc1cccc(NC2=C(c3cc(C)ccc3C)C(=O)N(c3ccccc3C#N)C2=O)c1 1863036803 GLZLMBLDSCLHFJ-UHFFFAOYSA-N 439.540 5.294 30 10 IKEE CCc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccccc3Cl)C2=O)cc1 1863069023 CYZQCKUWNBTSJQ-UHFFFAOYSA-N 427.891 5.171 30 10 IKEE Cc1ccc(C(C)(C)CCC(=O)N[C@@H](C(=O)Nc2cccc(C#N)c2)c2ccccc2)cc1 1866790987 FNFULDOZSNGEKB-AREMUKBSSA-N 439.559 5.421 30 10 IKEE CC[C@@](C)(NC(=O)c1ccc(-c2cc3ccccc3[nH]2)cc1)C(=O)Nc1ccccc1C#N 1867063817 LNTOHLSMZSOKAW-HHHXNRCGSA-N 436.515 5.244 30 10 IKEE CC(C)c1nc(Nc2cccc(C#N)c2)cc(N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)n1 1868221793 YHFDSULDPMFRBM-XMMPIXPASA-N 439.607 6.854 30 10 IKEE Cc1nc(Nc2cccc(C#N)c2)cc(N2CCc3ccccc3[C@H]2CCc2ccccc2)n1 1868466712 AGZXHVWBJYRXQF-HHHXNRCGSA-N 445.570 6.137 30 10 IKEE C=CCn1cc(OCCc2ccc(OC)cc2)c(=O)cc1CSc1ccc(Cl)cc1 1870163695 WODBEQSFVVTAAJ-UHFFFAOYSA-N 441.980 5.610 30 10 IKEE CCCCCCCCCCn1cc(OCc2cccc(F)c2)c(=O)cc1CSCC 1870167409 OWSZBALLKGEJTD-UHFFFAOYSA-N 433.633 6.960 30 10 IKEE CCCCCCCOc1cn(CCCCCCO)c(CN(CCC)CCCC)cc1=O 1870416651 ILTGGVTWZRUDDP-UHFFFAOYSA-N 436.681 5.762 30 10 IKEE CCCCCCCCCCn1cc(OCC(C)C)c(=O)cc1CN(CCO)CCCC 1870437202 OANYTNPCTLVJJL-UHFFFAOYSA-N 436.681 5.618 30 10 IKEE CCCCCCCCCCn1cc(OCc2ccccc2)c(=O)cc1CN(C)CCCC 1870471236 XHNKYNGZBWBWPU-UHFFFAOYSA-N 440.672 6.800 30 10 IKEE C=CCn1cc(OCc2ccc(C)cc2)c(=O)cc1CNc1ccc(Br)cc1 1871205896 WRYHNAVTYGHXFV-UHFFFAOYSA-N 439.353 5.296 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O3)CN(CCOC(C)C)CO2 1871345321 HNCNTUBVIVFVEI-UCQKPKSFSA-N 435.564 5.486 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OC(=O)CCc4ccc(C)cc4)ccc3C2=O)c1OC 1871366249 AHMMLGAZKCTEGR-IWIPYMOSSA-N 444.483 5.167 30 10 IKEE Cc1cc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(F)c2)C3=O)ccc1[N+](=O)[O-] 1871373449 HESWDQXCQOQGQC-NHDPSOOVSA-N 433.391 5.186 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2C1=O 1871376548 QDNADYHOZQXTBB-HAHDFKILSA-N 426.493 5.974 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)cc2)C3=O)CC1 1871383550 RDWWRAORTHQGDK-UQQQWYQISA-N 432.560 6.822 30 10 IKEE CCCCC(=O)Oc1cc(C)c2c(c1)O/C(=C\c1cc(Br)ccc1OC)C2=O 1871385044 CIBZVXCQKMWXJG-ODLFYWEKSA-N 445.309 5.478 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(CC)cc2)C3=O)cc1 1871387398 SNWDXOMRSOHGSW-IWIPYMOSSA-N 428.484 5.792 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OCCCOc4cccc(C)c4)c3C)C2=O)c1 1871404475 BPVBCOJEGPGLFS-UQQQWYQISA-N 430.500 5.776 30 10 IKEE Cc1cc(O[C@H](C)C(=O)Nc2ccccc2)cc2c1C(=O)/C(=C/c1cccc(Cl)c1)O2 1871404501 LZUZOTMEOPRUDW-NXUSMQHESA-N 433.891 5.671 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCCCOc4cccc(C)c4)ccc3C2=O)cc1 1871407006 VYIWWYLSAXPDBR-ONUIUJJFSA-N 430.500 5.858 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccccc2F)C3=O)cc1 1871407068 MAQHDZKUDWHDNU-GMPVXANTSA-N 447.462 5.165 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OCCOc4ccc(Cl)cc4)c3C)C2=O)c1 1871412878 JJDCZKZPGIGXBP-HAHDFKILSA-N 436.891 5.731 30 10 IKEE Cc1c(O[C@H](C)C(=O)Nc2ccc(Cl)cc2)ccc2c1O/C(=C\c1cccs1)C2=O 1871413999 HVUHXKPKXSXXND-FAPYRAKZSA-N 439.920 5.732 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccc5ccccc5c4)c3C)C2=O)cc1 1871420192 ZAQXBLSHTGWWTB-YSMPRRRNSA-N 449.506 6.090 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(O[C@H](C)C(=O)Nc3ccc(C#N)cc3)c2C)C1=O 1871435925 HAVNBWUCDVGKBI-YNJLWJOVSA-N 438.483 5.197 30 10 IKEE COc1cccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2Cl)C3=O)c1 1871441667 HFCMWSVKJPJSQA-JJFYIABZSA-N 449.890 5.291 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc(OCC(=O)Nc3ccc(F)c(F)c3)c2C)C1=O 1871442643 BMCDNAFIYRIFJD-GRSHGNNSSA-N 441.455 5.277 30 10 IKEE COC(=O)c1ccc(/C=C2\Oc3cc(OCCc4ccc(OC)cc4)cc(C)c3C2=O)cc1 1871448050 IOWKCZRIEMZAJK-IWIPYMOSSA-N 444.483 5.028 30 10 IKEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1871762342 ZOZCFRMQNDTGJT-HSZRJFAPSA-N 442.625 5.150 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cc(C)cc(C)c1)[C@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872005757 WFPGTRSKYVNJSU-XXBNENTESA-N 446.588 5.063 30 10 IKEE C=CCN([C@H](CCC)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(F)cc1 1872010094 JHHZWXUYOXMNRP-JOCHJYFZSA-N 446.588 5.107 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccc(F)cc1 1872445697 LGQWGNJIAUXJSR-QHCPKHFHSA-N 446.588 5.323 30 10 IKEE CC(C)(C)N1C[C@H](C(=O)[C@H](C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)CC1=O 1872759030 BHAQIJZBRHEXAS-RTWAWAEBSA-N 443.572 5.300 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)COc3cc(Cl)ccc3Cl)n2)cc1 1872767903 DIXJZLSHUKIJKV-MRXNPFEDSA-N 447.343 5.771 30 10 IKEE N#C[C@H](C(=O)/C=C\c1ccc(Cl)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872769146 KUYCFXBXSVIKGC-JBGNVSFKSA-N 433.747 6.660 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(OCC(C)C)c3)n2)c(C)c1C 1872778522 NDOSGGOAGPZQDD-OAQYLSRUSA-N 434.561 5.960 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)c3cc4ccccc4oc3=O)n2)cc1C 1872787724 QGPKPXXDDOOHBT-GOSISDBHSA-N 430.485 5.032 30 10 IKEE COc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1 1872788714 OTGMPSVTJKMTFS-SNMYMPMCSA-N 440.524 5.870 30 10 IKEE CCc1ccc([C@H](C)NC(=O)c2cccc(CSc3nc(C)c(C)c(C)c3C#N)c2)cc1 1872893160 KCTMTBXCIGGUBP-FQEVSTJZSA-N 443.616 6.224 30 10 IKEE CCCCCCCCNC1=C(c2cccc(OC)c2)C(=O)N(CCCCCCCC)C1=O 1873047723 LZFCNZQDPNMTCA-UHFFFAOYSA-N 442.644 6.086 30 10 IKEE CCCCCCCCN1C(=O)C(NC2CCCCCC2)=C(c2cc(F)cc(F)c2)C1=O 1873111957 BABIMSLWTJYTMQ-UHFFFAOYSA-N 432.555 5.718 30 10 IKEE CCCCCCCCNC(=O)c1cc2c(N(C)Cc3ccccc3)ncnc2n1CC(C)C 1873577544 WUVIOGJLEDWZBR-UHFFFAOYSA-N 449.643 5.814 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Br)cc2)cc2c(NCCCCC)ncnc21 1873622655 IFUDPKGZTRZRPM-UHFFFAOYSA-N 442.361 5.234 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)Nc1cccc(F)c1)n2CC 1873628938 BLEACQZKYZPCMK-UHFFFAOYSA-N 439.579 6.395 30 10 IKEE CCCCCCCCNC(=O)[C@H]1c2ccccc2C(=O)N([C@@H](C)CC)C12CCCCC2 1873885956 ATADWCIECKWOOK-XUZZJYLKSA-N 426.645 6.204 30 10 IKEE O=C(Cc1ccccc1OC(F)(F)F)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1874180735 NYDZJZUEQGSZMF-UHFFFAOYSA-N 431.254 5.804 30 10 IKEE CSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1cccc(Cl)c1 1874203454 CLQPGINKZPWYLS-ZVBGSRNCSA-N 427.744 5.421 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(OC)cc2)n1/N=C/c1cccc(Cl)c1 1874221357 HGSFQMWIDKYEIZ-LFVJCYFKSA-N 442.972 5.112 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccccc1F 1874230492 MGZCTLDONZDZHO-BHGWPJFGSA-N 430.936 5.508 30 10 IKEE Cc1ccccc1OCCCc1nnc(SCc2ccccc2)n1/N=C/c1ccc[nH]1 1874250324 XVEDNGIQYXVICX-YZSQISJMSA-N 431.565 5.101 30 10 IKEE C(=N/n1c(Cc2cccc3ccccc23)nnc1SCCc1ccccc1)\c1ccncc1 1874270070 CWANDSGSRYSQOW-ZTKZIYFRSA-N 449.583 5.634 30 10 IKEE CCCCC1CCC(c2nnc(SCCCO)n2/N=C/c2ccccc2OC)CC1 1874286443 GPKADSSKXGTVHO-JJIBRWJFSA-N 430.618 5.107 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(Cc2ccc(C)c(C)c2)nnc1SCC(=C)C 1874358607 QGJZECCCXPBQTI-WGOQTCKBSA-N 432.593 5.601 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccccc3C)nnc2-c2cccs2)c1O 1874420888 JRCZPWXWGFTUOC-YDZHTSKRSA-N 436.562 5.204 30 10 IKEE CC(C)(C)Cc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(F)cc1 1874441271 PSJCOWVLRQADLC-BRJLIKDPSA-N 434.943 5.973 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1cccc2ccccc12 1874479953 AQOIQUGYYYISPW-WGOQTCKBSA-N 434.996 6.602 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1cccc(OCC)c1 1874480051 GFQHYANVHVYDFN-BUVRLJJBSA-N 428.989 5.847 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1cn(C)c2ccccc12 1874491196 DTCIGPZIJLEWAJ-DHRITJCHSA-N 438.000 5.796 30 10 IKEE CCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1/N=C/c1cccc2ccccc12 1874529036 ORVAVZUHAUVZCD-CVKSISIWSA-N 443.576 5.224 30 10 IKEE CCCOc1cccc(/C=N/n2c(C)nnc2SCc2c(Cl)cccc2Cl)c1 1874533631 SZSBWKITYPPUFQ-FSJBWODESA-N 435.380 5.857 30 10 IKEE Sc1nnc(C2CCCC2)n1/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 1874559774 NQISNIWKNXICDV-WYMPLXKRSA-N 447.391 5.992 30 10 IKEE CC(C)Oc1ccc(/C=N/n2c(S)nnc2CCCOc2ccc3ccccc3c2)cc1 1874569450 XSVOWHNRQFYEOB-YZSQISJMSA-N 446.576 5.401 30 10 IKEE Cc1ccccc1COc1ccc2ccccc2c1/C=C/C(=O)c1ccc2c(c1)CCCC2 1874572037 STJDQOJOQYHTKL-ISLYRVAYSA-N 432.563 7.502 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCc2cc(C)ccc2C)cc1 1874572998 PNPHMIPSEFVUSJ-OUKQBFOZSA-N 434.963 7.003 30 10 IKEE CCCOC(=O)COc1ccc(Br)cc1/C=C/C(=O)c1ccc(CC)cc1 1874573073 UNTIBOCDYZKQJJ-PKNBQFBNSA-N 431.326 5.240 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(F)c(F)c2)c1OCC(=O)OCC(C)C 1874585608 ZRBZNABAIGHEJG-FNORWQNLSA-N 438.854 5.101 30 10 IKEE O=C(/C=C/c1cccc(OCc2nc(O)c3ccccc3n2)c1)c1ccc2c(c1)CCCC2 1874592832 DTFVRXNOSRQDJC-NTCAYCPXSA-N 436.511 5.689 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1OCc1cccc(C)c1 1874595170 XSYBQNMMEMAUAW-PKNBQFBNSA-N 437.333 6.241 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OCC(=O)Nc1ccc(F)cc1 1874596470 WPOAXWHWNYOCKU-QDEBKDIKSA-N 437.442 5.195 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1Cl)Nc1ccccc1 1874602821 AKDMISQMHYWXHV-GXDHUFHOSA-N 441.914 6.407 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 1874610165 DQGCBKGYKAEPQI-UXBLZVDNSA-N 447.745 7.131 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OCc1cccc2ccccc12 1874616248 PSHXWTNQTFPKGS-DTQAZKPQSA-N 438.523 6.641 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3)c([N+](=O)[O-])c2)c(C)c1 1874617734 QSHOIXOTWRCULB-FMIVXFBMSA-N 430.460 5.125 30 10 IKEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1Br 1874618728 PYNVGVBJHQLOAU-UXBLZVDNSA-N 448.332 5.040 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(Cl)c(OCc2cccc(C)c2)c(OC)c1 1874620091 ILIOMPKMNDDHBQ-MDZDMXLPSA-N 436.935 6.449 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc(Br)c1OC 1874625875 BGASVVHAGYYUNY-CSKARUKUSA-N 447.369 6.059 30 10 IKEE CCCOc1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1Br 1874628174 POAJPTMGUFYBMG-RIYZIHGNSA-N 437.333 6.926 30 10 IKEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2ccc(OCC)cc2OCC)cc1Cl 1874632398 VGEIWUCUGSWGAE-YRNVUSSQSA-N 446.927 5.366 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OC(=O)c1c(OC)cccc1OC 1874701466 UISOCIYXGCDLHA-JLHYYAGUSA-N 446.499 5.445 30 10 IKEE Cc1cc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(Cl)c(Cl)c3)c2)ccc1F 1874702672 DISIEPLQEBNZFQ-UXBLZVDNSA-N 443.301 6.485 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OC(=O)[C@H]2C[C@H]2c2ccccc2Cl)c1 1874704670 WOVIHPIIBCMJJP-KFDAMUOLSA-N 446.930 6.262 30 10 IKEE CCOc1ccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(F)cc3)c2)cc1OC 1874708807 VPHCJYTUUFRFTQ-VGOFMYFVSA-N 448.490 5.667 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)CSc1ccccc1 1875094821 KBAKNOHVXADJNX-ZRDIBKRKSA-N 449.484 5.197 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(Cl)c1OC(=O)[C@H]1CCCO1 1875101565 VLTUDJQPUDAFAK-VZOQVYJPSA-N 428.912 5.282 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccco2)c(Cl)c1)c1cccc(Br)c1 1875114815 WXTZVIBDXRMBML-SOFGYWHQSA-N 431.669 5.811 30 10 IKEE CC(C)(C)CC(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1Br 1875120942 RHOZFVVUIJIKRO-XBXARRHUSA-N 437.280 5.965 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)CCCOc1ccc(C)cc1 1875136613 SBNVIAJBDKOAMM-MHWRWJLKSA-N 444.527 5.973 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1OC 1875144189 JEWZNBPNIDYDTB-FYWRMAATSA-N 438.564 6.564 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OC(=O)COc1ccccc1 1875156264 RPGJUKLGZDGKQI-JQIJEIRASA-N 438.479 5.729 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])cc1 1875159886 PPDOWDPPCUACNA-VGOFMYFVSA-N 447.462 5.731 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)cc2)c1 1875168479 FHYOKIMHOCONIG-FMIVXFBMSA-N 444.527 6.053 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OCC 1875183198 OUZCXLDQRUGQSP-ZHACJKMWSA-N 428.956 6.656 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)ccc1OC(=O)c1ccco1 1875192518 PNXJIRXLFATCKS-JLHYYAGUSA-N 442.467 5.955 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc4cc(OC)ccc4c3)ccc21 1891189953 SAVVOOOHJRKNLG-UHFFFAOYSA-N 430.504 5.038 30 10 IKEE C=C(C)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@@H](O)CC[C@@]34C)[C@H]12 1903846746 MQYXUWHLBZFQQO-STIYEXJSSA-N 426.729 8.025 30 10 IKEE C#CCCC[C@@H](NCCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997454917 INGBHKDGVQYGNK-BVAGGSTKSA-N 428.617 5.002 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@](C#N)(N(CC3CC3)C(=O)OC(C)(C)C)C[C@H]21 2001953863 JLFGYLGKVHPJCP-IECBHUPTSA-N 433.593 5.095 30 10 IKEE CC(C)(C)OC(=O)NCCC1CC(C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C1 2007657736 TZERYKPTWJIKBL-UHFFFAOYSA-N 449.979 5.669 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@@H](C(C)C)N(Cc3ccccc3)C2)cc1 2029765107 SNIOWQYSEQIDKW-RPLLCQBOSA-N 433.596 5.929 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCC[C@H]2NC(=O)OC(C)(C)C)c1 2031459546 SOQKZIAQJLYVSW-DVECYGJZSA-N 445.560 5.166 30 10 IKEE N#Cc1c(SCc2c(F)cccc2Cl)nsc1C=CNc1ccc(Cl)cc1 2040744627 GGWPWQVFBAQLNS-UHFFFAOYSA-N 436.364 6.836 30 10 IKEE C=C(c1ccccc1)[C@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 2076576038 FURIXYGDFYRVPH-RPBOFIJWSA-N 438.612 5.568 30 10 IKEE Fc1cccc(C(F)(F)F)c1Cn1nc(Br)c(Cl)c1C(F)(F)F 2079143867 OOAAYUDAMOGUQU-UHFFFAOYSA-N 425.529 5.524 30 10 IKEE CC[C@@H](c1ccc(C(C)C)cc1)n1nc(C(C)C)c(C=NO)c1I 2079907522 ZDURYQQUINMFQC-KRWDZBQOSA-N 439.341 5.542 30 10 IKEE CC1(c2nn([C@H](c3ccc(C4CCC4)cc3)C3CC3)c(Br)c2C=NO)CC1 2079982851 YLPYLBJENSJMJF-LJQANCHMSA-N 428.374 5.772 30 10 IKEE COc1ccc(C)c([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)c1 2145975892 MYTJJQLBVDFRIO-IBGZPJMESA-N 431.330 5.773 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(Br)ccc1C 2154789786 MKHZZUKIUGFTAO-GOSISDBHSA-N 431.330 5.773 30 10 IKEE CN1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)CC12CCCC2 2156880807 UUTDCZRCVLXTGN-NRFANRHFSA-N 434.378 5.101 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@H](C#N)c1c(F)cc(Br)cc1F 2170704694 OPZIPYTWIPHLKT-MRXNPFEDSA-N 441.247 5.873 30 10 IKEE Cc1cc(Br)c(N=C2N[C@H](C(F)(F)F)[C@@H](C)S2)c(Br)c1 2195313149 CYUUKTSXTSXBPZ-LDWIPMOCSA-N 432.103 5.163 30 10 IKEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1sc(C)c(C)c1Br 2229236370 IGMRORCPUIKKIH-OAHLLOKOSA-N 444.439 5.271 30 10 IKEE N[C@@H](c1cc(Br)c(Br)cc1F)C(C(F)(F)F)C(F)(F)F 2233981386 IBCAOGVJNCEWFI-ZETCQYMHSA-N 432.959 5.091 30 10 IKEE CCCC1(C(=O)C#Cc2ccccc2Br)CCN(C(=O)OC(C)(C)C)CC1 2235735644 ZWPMJOZDEJQTDH-UHFFFAOYSA-N 434.374 5.187 30 10 IKEE C=CC[C@H](C)[C@@H](NCCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237415572 YXVCNNLPLGBCMT-PWIZWCRZSA-N 439.438 5.465 30 10 IKEE C=C(C)CCCC[C@@H](OCCCN)c1cc(Br)c(Br)s1 2292764965 CEFSYANXVSERSU-CYBMUJFWSA-N 425.230 5.816 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)CN(C(=O)OC(C)(C)C)[C@H](C)CC 2296219722 QYWZWZFXLQWRSA-XLIONFOSSA-N 437.422 5.204 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@]1(C#N)C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 2297237336 JNRVZOJJFKPSKB-IPVQETTRSA-N 432.564 5.701 30 10 IKEE Cc1ccc(CN2c3ccccc3C(=O)C(=CNc3cc(C)ccc3C)S2(=O)=O)cc1 2297375432 FMXTUEWLEWHGNM-UHFFFAOYSA-N 432.545 5.098 30 10 IKEE COc1ccccc1CCN=Cc1ccnc(SCc2ccc(Cl)cc2Cl)n1 2297563159 LWSQGRXLEFAXET-UHFFFAOYSA-N 432.376 5.746 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2308983863 KLQLDNPXNFYFJA-SAASNCCBSA-N 445.535 5.153 30 10 IKEE O=C1C(=Cc2ccc(N3CCCC3)o2)SC(=NCc2ccccc2)N1Cc1ccccc1 2313560420 SKLHHUMOFMMMLT-UHFFFAOYSA-N 443.572 5.553 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCC)c2cccc(OCc3ccccc3)c2)C1 2314464103 FDOKNVNQSITOOL-XMMPIXPASA-N 436.596 5.777 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cccc(OCc2ccccc2)c1 2314470396 GROQVJWSSFWMIF-RPBOFIJWSA-N 436.596 5.613 30 10 IKEE C=CCN(CC[C@H](NCCC)c1cccc(OCc2ccccc2)c1)C(=O)OC(C)(C)C 2314473706 XULFLNRLESZNES-VWLOTQADSA-N 438.612 6.120 30 10 IKEE CCN[C@H](C#C[C@@H](OC)C1CCCC1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2320502563 KAYPHDXNNSGENQ-LOSJGSFVSA-N 442.644 5.391 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCc4cc(C)ccc4C)c3C)C2=O)c(OC)c1 2321753973 PUPQIHHSTHTXHI-UHFFFAOYSA-N 430.500 5.824 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OCc4c(F)c(F)c(F)c(F)c4F)c3C)C2=O)c1 2321813525 DMVFBNHLYRICGE-UHFFFAOYSA-N 446.371 6.194 30 10 IKEE Cc1cc(OCc2ccc(F)cc2Cl)cc2c1C(=O)C(=Cc1ccc(C(C)C)cc1)O2 2321862963 XNXFJLZSEFFKNG-UHFFFAOYSA-N 436.910 7.106 30 10 IKEE CCCCOCCCN1COc2ccc3c(c2C1)OC(=Cc1ccc(OCC)cc1)C3=O 2322143580 MGQKRMRISHFIQI-UHFFFAOYSA-N 437.536 5.060 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(Br)cc1)O3)CN(CCC(C)C)CO2 2322235038 MAPSTGMUAQFBME-UHFFFAOYSA-N 442.353 5.572 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(Cl)cc2C=CC(=O)c2cccc(OC)c2)cc1 2322373867 DPSFMXTZUPKHMT-UHFFFAOYSA-N 449.934 5.825 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2ccccc2)cc1 2322401712 CFVZLDJANNDBAI-UHFFFAOYSA-N 443.543 5.951 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2cc(C)ccc2C)cc1 2322455988 ONNRDWFTKMENAH-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc3C2=O)c1 2323231806 PSDNHYBVCRKPOC-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1 2323260378 ZQKULQGEEZHKEL-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc1OCCc1ccccc1 2323288785 BGJGKFCTEGQPMQ-UHFFFAOYSA-N 436.935 6.183 30 10 IKEE O=C(C=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1ccc2ccccc2c1 2323395541 GUTNKBORAFWBGC-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)Cc4cccc5ccccc45)cc(C)c3C2=O)c1 2323400421 ISJLPDWXMLULEH-UHFFFAOYSA-N 434.491 6.221 30 10 IKEE Cc1c(OC(=O)C=Cc2ccc(C(C)C)cc2)ccc2c1OC(=Cc1cccs1)C2=O 2323503284 GIGQAOBYEHQPCK-UHFFFAOYSA-N 430.525 6.415 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3nc(O)c4ccccc4n3)c(Cl)c2)cc1 2323628285 ODLQYNGHAILPNM-UHFFFAOYSA-N 446.890 5.473 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(=O)CCc4ccccc4)cc(C)c3C2=O)c1OC 2323720876 OVUMFXVTIVPWTK-UHFFFAOYSA-N 444.483 5.167 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc(F)c2)c(Br)c1)c1ccc(F)cc1F 2323721148 RGBAMLWAGZBBQG-UHFFFAOYSA-N 447.250 6.342 30 10 IKEE Cc1ccccc1COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1Br 2323790764 IGIHLCZWBHJGNF-UHFFFAOYSA-N 441.752 6.886 30 10 IKEE O=C1C(=Cc2cccc(Br)c2)Oc2cc(OCCOc3ccccc3)ccc21 2324220039 DOQSGZHLRONBSR-UHFFFAOYSA-N 437.289 5.523 30 10 IKEE CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1cccs1)C2=O 2324326135 ZADAZZKRZCRGGI-MRXNPFEDSA-N 449.528 5.477 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1 2324376053 ZBFMDIGYABVLPS-KRWDZBQOSA-N 431.463 5.465 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(O[C@@H](C)C(=O)Nc4cc(C)ccc4C)c3C)C2=O)c1 2324463837 MDAYARUBJVCIQF-FQEVSTJZSA-N 441.527 5.942 30 10 IKEE Cc1ccc(OCCOc2ccc3c(c2C)OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)cc1 2324538870 QPVNUWYEFYZBAT-UHFFFAOYSA-N 442.555 6.675 30 10 IKEE COc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2Cl)cc1 2325490439 QMBATGPYWQPSFO-UHFFFAOYSA-N 448.979 5.705 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O 2325494366 OPEKMSONJAKGEA-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccccc3F)c2)cc1C 2325712903 KJIUTVTYAJAPRU-UHFFFAOYSA-N 434.463 5.196 30 10 IKEE COc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2Cl)C3=O)cc1 2325731851 BSDCICLLTMFSBX-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE CCCOc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(OCC)cc3)c2)cc1 2325734494 MSUBTEWTCJAHJY-UHFFFAOYSA-N 444.527 5.918 30 10 IKEE CCCSc1nnc(CCCOc2ccc(OC)cc2)n1N=Cc1ccc(Cl)cc1 2326272390 FVSRZGXOPNAZTA-UHFFFAOYSA-N 444.988 5.336 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(OC(C)C)c(Cl)c1 2326272393 GMRRKIABXKHVEV-UHFFFAOYSA-N 446.979 5.985 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccc(OC(C)(C)C)cc1 2326600143 SOMKSTMVDDNPIR-UHFFFAOYSA-N 436.625 6.199 30 10 IKEE CCCCCOc1ccc(C=Nn2c(CC)nnc2SCc2ccc(C#N)cc2)cc1 2326672774 OBUXLTSUZFDLOB-UHFFFAOYSA-N 433.581 5.456 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CCCOc2ccccc2C)nnc1SCC 2327082456 HNLMCBWHLXICQA-UHFFFAOYSA-N 436.581 5.157 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2C)n1N=Cc1ccccc1OC 2327089587 CBVHXSNOPCKWMD-UHFFFAOYSA-N 436.581 5.157 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc(OC)cc1 2327950931 AZMGADQBMUTCQO-UHFFFAOYSA-N 426.973 5.276 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCC=C)nnc1C1CCC(CCCC)CC1 2328179607 KMABQGZBNUGVEG-UHFFFAOYSA-N 438.641 6.467 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3C)n2N=Cc2ccccc2C)cc1 2329465521 GIBNIXORJLOUII-UHFFFAOYSA-N 440.616 6.163 30 10 IKEE CCCC[C@H](NC(=O)C=C(c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1cccc(C#N)c1 2329597718 NVSRSHXVOCHOJL-VWLOTQADSA-N 429.564 5.282 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(Cl)c1OC(=O)c1cnccn1 2330678622 CLUJULRPNMOUIA-UHFFFAOYSA-N 448.906 5.133 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Br)c(OC(=O)C3CCC3)c(OC)c2)c1 2330794499 DXKXZZOWBUKTRY-UHFFFAOYSA-N 445.309 5.068 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2)cc([N+](=O)[O-])c1OC(=O)C(C)(C)C 2330873191 NYIWUDFKEBFWMR-UHFFFAOYSA-N 441.480 5.158 30 10 IKEE Cc1ccccc1C=Nn1c(SCC(=O)Nc2cccc(C)c2C)nnc1C1CCCC1 2331030065 ZYWQOODULAXJEP-UHFFFAOYSA-N 447.608 5.474 30 10 IKEE O=C(O)c1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CCCC2)cc1 2331094062 PBEAWEJOBVKBPX-UHFFFAOYSA-N 440.956 5.462 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OC(=O)[C@@H](C)c1ccccc1 2331174184 IQEFSOZWTJLOKZ-SFHVURJKSA-N 434.919 6.344 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)c1cc(C)cc(C)c1 2331312566 LHNRNPHFKCTEFK-UHFFFAOYSA-N 448.946 6.698 30 10 IKEE COc1cc(C=Nn2c(CC(C)C)nnc2SCc2ccccc2C)cc(Cl)c1O 2331437769 ANFOPISVNVCOHP-UHFFFAOYSA-N 444.988 5.327 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3ccncc3)c(OC)c2)cc1F 2331450645 JGBNRSXPIHMLTM-UHFFFAOYSA-N 441.842 5.007 30 10 IKEE C=CCSc1nnc(C2CCC2)n1N=Cc1ccc(OCc2ccc(C)cc2)c(OC)c1 2331532536 RRVOJQUDMVYFTL-UHFFFAOYSA-N 448.592 5.602 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)c(C)c3)cc2)c(C)c1C 2331612021 UMXGDJGMOMVSKP-UHFFFAOYSA-N 428.528 5.973 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(OC(C)=O)cc3)cc2)c(C)c1C 2331612246 WAIRJLPOUAJOHT-UHFFFAOYSA-N 444.483 5.353 30 10 IKEE CCCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1N=Cc1ccc(CC)cc1 2331629998 QNPSQCQLNXAPSI-UHFFFAOYSA-N 435.597 5.023 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)Cc1cccs1 2331657559 ZSXGAOSNVZDUMM-UHFFFAOYSA-N 434.557 6.035 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2C(C)C)cc1 2331687390 CFTWXBWDMRPCRC-UHFFFAOYSA-N 425.577 5.561 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2ccc(OC(=O)c3ccco3)c(OC)c2)cc1Cl 2331703131 BVNABLBJFXMFGS-UHFFFAOYSA-N 442.851 5.074 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc4ccccc34)c(Cl)c2)cc1C 2331706469 VZCQJOXUFWIGQF-UHFFFAOYSA-N 440.926 7.225 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1ccc(CC)cc1 2331779759 QOPFFNFPWDEPBS-UHFFFAOYSA-N 442.555 6.688 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)c(C)c3)cc2)cc1Cl 2331814930 AKOBTMSVMUAJNA-UHFFFAOYSA-N 438.882 5.840 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(Cl)c2)cc(Cl)c1OC(=O)C(C)C 2331832087 CNSCIFRXGQQRLR-UHFFFAOYSA-N 437.319 5.858 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)c(OC)cc2C)cc(OC)c1OC(=O)C(C)(C)C 2331854594 WWRLCACTBCPENL-UHFFFAOYSA-N 436.548 5.897 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)cc(Br)c1OC(C)=O 2331862964 CTVVAIJSPBAOCG-UHFFFAOYSA-N 444.108 5.586 30 10 IKEE CC1(C)OB(/C=C/c2ccc(N[C@@H]3CCCN(Cc4ccccc4)CC3)nc2)OC1(C)C 2339538034 VAPHCGPYXVAMBF-LKVFMFGUSA-N 433.405 5.193 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Br)cc(OC2CC2)c1 2362725464 RMWHEGQLAUTVLD-RBUKOAKNSA-N 439.394 5.110 30 10 IKEE CC1(C)CN(Cc2ccccc2)C[C@@H]1CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2365050910 UNCGGWNQLQNDPS-NSFRLNINSA-N 447.432 5.296 30 10 IKEE CCCN[C@@H](C#C[C@H]1CC1(C)C)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2365089374 YVIBBBUXQBSPMQ-KXBFYZLASA-N 435.406 5.886 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1coc(C(F)(F)F)n1 2368003811 KYEFULRWYJDOKS-CYBMUJFWSA-N 446.223 5.462 30 10 IKEE CCOC(=O)c1c(C)n(C)c2ccc(Oc3nccc(Nc4ccc(C)cc4)c3C#N)cc12 978611 HNWRECYGIJCPRD-UHFFFAOYSA-N 440.503 5.774 30 10 IKEE C=C(C)COc1ccc(NC(=O)COc2ccc([C@H](C)CC)cc2Br)cc1 14832078 OQYQLHPIQDBZFG-MRXNPFEDSA-N 432.358 5.935 30 10 IKEE C=CCN1C(=O)[C@@H](CC(=O)c2cc(C)ccc2C)S/C1=N\c1cccc2ccccc12 15055337 GWPWPPYFTJKLHF-IHZKLZTASA-N 428.557 5.847 30 10 IKEE COc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccc(N(C)C)cc1)C2 21259741 COXYYNZAXCMJID-HMILPKGGSA-N 439.559 5.741 30 10 IKEE COc1ccc(/N=C/c2cc(Cc3ccccc3Cl)cc(Br)c2O)cc1 27500958 IJMAFFQIRGMTFQ-ZMOGYAJESA-N 430.729 6.158 30 10 IKEE CCC(C)(C)[C@H]1CCc2sc3ncnc(N/N=C\c4cccc5ccccc45)c3c2C1 27527946 XGARXZOHWZUNPN-CRIWNOGGSA-N 428.605 6.832 30 10 IKEE O=C(/C=C/c1c(Cl)cccc1Cl)c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 34955108 TUMAFCJHROUQQV-VAWYXSNFSA-N 442.254 6.017 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccc(CC)cc1 40081026 XAYUXQCYVASPLD-XMMPIXPASA-N 435.564 5.662 30 10 IKEE C=Cc1ccc(COc2ccc3c(c2)O/C(=C\c2cn(C)c4ccc(OC)cc24)C3=O)cc1 41504759 WEZMUHUGHYYVBD-WKIKZPBSSA-N 437.495 6.025 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(C(C)C)cc1)C3=O)CN(Cc1ccccc1)CO2 41587226 XFLHBVJLEINOGM-MXAYSNPKSA-N 425.528 6.087 30 10 IKEE Clc1ccc(/C=N/Nc2nnc(SCc3ccc(Cl)c(Cl)c3)[nH]2)c(Cl)c1 59014480 ANMANMRABAOFBY-QPSGOUHRSA-N 447.178 6.157 30 10 IKEE CN(CN1C(=O)/C(=N/c2ccc(Cc3ccncc3)cc2)c2ccccc21)C1CCCCC1 59378383 BVRDLGDXCITJQN-KDJFERLWSA-N 438.575 5.362 30 10 IKEE C=CCc1ccccc1OC[C@@H](O)CNc1ccc(-c2nc3ccc(C)cc3s2)cc1 96582679 LDQCTDMPODENOJ-QFIPXVFZSA-N 430.573 5.852 30 10 IKEE CC(=O)/C(=N/Nc1ccc(C)cc1)Sc1nnc(-c2ccccc2)n1-c1ccccc1 102659841 OUNDRYKKCDOETG-VYIQYICTSA-N 427.533 5.349 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccc(O)cc2)c1 169958886 ZLDSZPYZJQEZFT-XMMPIXPASA-N 427.500 5.409 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@@H]2c2ccc(O)cc2)cc1 169959411 KQXANSLXZONJKZ-DEOSSOPVSA-N 443.499 5.055 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(OC(C)C)cc2)c(C)c1 169979175 WTVIBGKQZHQCIJ-DEOSSOPVSA-N 449.547 5.312 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(O)c(Cl)c2)cc1 170040748 YDUYBTXGGULBBR-QFIPXVFZSA-N 433.891 5.391 30 10 IKEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccccc2)cc1 170047743 OMCCBHYBPJGXHT-DEOSSOPVSA-N 437.499 5.017 30 10 IKEE O=C(C1=C(O)C(=O)N(c2nc3cc(F)ccc3[nH]2)[C@H]1c1ccccc1)c1ccc(Cl)cc1 170056399 QSEKVLFHYJGZEY-FQEVSTJZSA-N 447.853 5.138 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccc(C(C)C)cc2)ccc1F 170066104 JEOLOFLPNPHVRR-QHCPKHFHSA-N 439.527 5.261 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(C)cc2)=C(N2CCCc3ccccc32)C1=O 170077481 JXCAYANDIZBEIZ-UHFFFAOYSA-N 430.592 5.888 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2ccccc2)c1 170141830 DICCKHRRVNATCC-XDHUDOTRSA-N 425.484 5.101 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@H]1c1ccc(OC(C)C)cc1 170152490 ZDQHUCNAQBSFIU-HSZRJFAPSA-N 437.536 5.169 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2cccs2)cc1C 170158160 CQMSLKYWYUDUIA-HSZRJFAPSA-N 447.556 5.855 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1cccs1 170159050 TYTSFUMGKJFWBP-QFIPXVFZSA-N 447.556 5.837 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(OCC)c3)=C(O)C(=O)N2C2CCCC2)cc1 170214607 JKKCNNVFTNWCLK-HSZRJFAPSA-N 435.520 5.005 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)c(C)c3)=C(O)C(=O)N2C2CCCC2)cc1 170214816 MODZAWVIORUFSC-DEOSSOPVSA-N 449.547 5.313 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2C2CCCC2)c1 170218765 NMVCBVFXQJPPKB-XMMPIXPASA-N 449.547 5.393 30 10 IKEE COc1c(Cl)cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2)cc1Cl 170233917 SFHCKSQFHSUNSK-LJQANCHMSA-N 446.330 5.523 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(Cl)cc1 170235490 KLWVSSLECKZEGX-NRFANRHFSA-N 437.879 5.029 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@@H]1c1ccc(Cl)cc1 170236569 QWCIEUAVJGMPNC-FQEVSTJZSA-N 448.346 5.771 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(F)cc2)c1 170239765 ZOJPVLOKAMFWKA-DEOSSOPVSA-N 445.490 5.706 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@H]1c1ccc(C(C)C)cc1 170245972 HPBLLXYPDAVIME-RUZDIDTESA-N 449.591 6.286 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2cccc(O)c2)cc1C 170257916 GHYCORIIZCQPRT-QHCPKHFHSA-N 447.462 5.021 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccc(O)c2)cc1C 170259630 MMHFMXIICJVJDM-DEOSSOPVSA-N 443.499 5.191 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2C)cc1C 170272300 CIGXVUANHQCCSJ-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccccc2C)cc1 170272599 VIUMOAHFISMJCP-AVRWGWEMSA-N 439.511 5.410 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@@H]1c1sccc1C 170318946 KOSJTHJLOKSVQD-HXUWFJFHSA-N 427.566 5.485 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 170380409 PIDVHPZVTUABHJ-LJQANCHMSA-N 444.339 6.146 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2Cc2ccccc2OC(C)(C)C)c1 170458056 PYUCUVXNEQUUCT-JOCHJYFZSA-N 435.564 5.683 30 10 IKEE CCCC[C@@H](CC)OC(=O)CSc1nnc(N/N=C/c2cccc(Cl)c2Cl)[nH]1 253562795 DSHILXAYSYMHBW-WVISFHDSSA-N 444.388 5.162 30 10 IKEE CCCCN1C(=O)/C(=C2\Sc3ccccc3N2CC)S/C1=N/[C@H](C)c1ccccc1 254513719 HVWLYJFUIWKEQN-LOTDYKIXSA-N 437.634 6.280 30 10 IKEE C=CCn1c(-c2ccc(-c3ccccc3)cc2)csc1=Nc1cccc(C(F)(F)F)c1 254592067 AGDCPSYPQOWPNG-UHFFFAOYSA-N 436.502 7.321 30 10 IKEE CCOc1cc([N+](=O)[O-])cc(C=Nc2ccc3oc(-c4ccc(OC)cc4)nc3c2)c1O 254683745 YGQVCLCQWLHMSB-UHFFFAOYSA-N 433.420 5.267 30 10 IKEE CCOc1ccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1Cl 526489270 QAJSPRGMQMWDGB-HSZRJFAPSA-N 448.881 5.807 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2c[nH]c3ccccc23)cc1 526516808 RUVSEIVDMNSVDA-AREMUKBSSA-N 449.510 5.886 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 526744749 YARJNWHUGWSETQ-NRFANRHFSA-N 449.293 5.648 30 10 IKEE CCCCOc1ccc(/C=N\n2c(C)nnc2SCc2ccc(C)cc2)cc1OCC 526804429 SOZCXVXMPIUISQ-XYGWBWBKSA-N 438.597 5.647 30 10 IKEE CCN1C(=O)C(C=Nc2ccccc2)=S=C1/C=C1\SC=C(c2ccccc2)N1CC 585087097 PDAJQEZGOZGVNW-HCEOAANSSA-N 433.602 5.195 30 10 IKEE Cc1cc(C)cc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 586243136 KPZDSJKIBZLMGP-UHFFFAOYSA-N 445.371 5.877 30 10 IKEE Cc1c(CCC(C)C)c(=Nc2ccc(Br)cc2)n2c([nH]c3ccccc32)c1C#N 607736604 LCGCUZKVHVYBIG-UHFFFAOYSA-N 447.380 6.184 30 10 IKEE CN(C(=O)OC(C)(C)C)C(C)(C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 698901103 IUDHEUHFSMQDLC-KRWDZBQOSA-N 437.968 5.619 30 10 IKEE C=C(CC)C[C@H](NCCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 708565506 CWHXWXAKRARXAC-VQTJNVASSA-N 439.438 5.609 30 10 IKEE C=CCC1([C@H](Cc2cccc(Br)c2)NCCC)CN(C(=O)OC(C)(C)C)C1 722914052 QISPSVDRQDKBFF-IBGZPJMESA-N 437.422 5.173 30 10 IKEE CCCCCOc1ccc(C=NNc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 1084056349 VKZUOZGTFFZUAN-UHFFFAOYSA-N 441.600 7.492 30 10 IKEE CC(=NN1C(=O)CN(Cc2ccccc2)[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 1084197988 PGBFSGQQHSERNN-XMMPIXPASA-N 438.358 5.761 30 10 IKEE COc1ccc(COc2ccc(C=NNc3nc(SCc4ccccc4C)n[nH]3)o2)cc1 1084397807 PXDPGDZREJPFFZ-UHFFFAOYSA-N 449.536 5.032 30 10 IKEE CC(=NNc1nc(SCCC(=O)Nc2ccc(Cl)cc2Cl)n[nH]1)c1ccccc1 1084479910 FLBNJOXWSCDKAE-UHFFFAOYSA-N 449.367 5.069 30 10 IKEE CC[C@@H](C(=O)ON=C(C(=O)c1c(C)c(C)c(C)c(C)c1C)c1ccccc1)c1ccccc1 1088697461 LRPZETAGRFRQPD-RUZDIDTESA-N 441.571 6.553 30 10 IKEE COc1ccc([C@@H]2[CH]S/C(=N/c3ccccc3)N2C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 1614963232 INFZHYJEHVRMQR-HHAACUQKSA-N 448.524 5.276 30 10 IKEE COCCCn1c(O)c(N=Nc2ccc(N=Nc3ccccc3)cc2)c(C)c(C#N)c1=O 1772740923 NEEMXRRYIGHWRO-UHFFFAOYSA-N 430.468 5.601 30 10 IKEE Cc1oc2ccc(O)cc2c1C(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N 1859479274 CZUPQQLMLWBSOV-UHFFFAOYSA-N 434.451 6.498 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc(Cc2ccncc2)cc1 1860729320 DTPGCEMCOHBVDB-SDNWHVSQSA-N 448.522 5.472 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)Cc1cc(OC)ccc1Cl 1860978939 OIYWJYQPHIDSDT-QFIPXVFZSA-N 439.040 5.433 30 10 IKEE CCCCCCCCNC(=O)[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 1861049887 AORZEVOLVHFEGK-NRFANRHFSA-N 435.395 5.941 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1 1861059843 PABYLPYVSOEJEL-XMMPIXPASA-N 443.031 5.938 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2ccc(C(=O)OC)cc2)cc1 1862398906 YOFJKHKSNJKXJR-SBUREZEXSA-N 449.547 5.193 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccccc1F 1862468628 SSGAGXLVSQWZKU-IBGZPJMESA-N 446.316 5.213 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2cccc(F)c2)c1 1862489568 XNLUFYKUGAYNPE-RUZDIDTESA-N 443.518 5.838 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cccc(C)c1 1862507328 JBKMRXWPVGUKQN-QPPBQGQZSA-N 437.555 6.380 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccccc1F 1862524328 BYXDYGPITFDUOF-IBGZPJMESA-N 446.316 5.213 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(C(C)C)cc2)cc1 1862534793 UZQZLACYHKYDDI-VWLOTQADSA-N 431.576 6.283 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1c(Cl)cccc1Cl 1862538492 IGHGNKKTLVVSDY-FQEVSTJZSA-N 432.347 5.934 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cccc(O)c1 1862544676 ISLRNCYOMDULBC-HGMMTPDKSA-N 445.559 5.428 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1c(F)cccc1Cl 1862585586 ZPFMOYSLDYHJFW-KRWDZBQOSA-N 440.685 5.550 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CC)cc1 1862587682 XHZNHJGBRNCUBJ-FQEVSTJZSA-N 447.362 5.438 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCc2ccc(Cl)cc2)cc1 1862589519 MSJGNSMSCAQGOA-QHCPKHFHSA-N 447.918 5.175 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C2CC2)cc1 1862622482 FCVKEMYOGVKSED-DEOSSOPVSA-N 446.591 5.571 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccccc1 1862660113 HZTLDKHQGBYFDE-NOZRDPDXSA-N 433.592 6.747 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2cccc(F)c2)cc1 1862661480 BZFPRVJVOUAFDS-CJAUYULYSA-N 443.518 6.289 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccccc1 1862661890 XOEJRFOLXHUIFX-RUZDIDTESA-N 433.592 6.749 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccc(C(C)C)cc3)C(=O)N(c3ccccc3C#N)C2=O)c1 1863036929 MRTCZYABMDGCFN-UHFFFAOYSA-N 435.527 5.695 30 10 IKEE CCC[C@@H](NC(=O)C[C@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866742003 RHLFPSPJVWJJKB-LOSJGSFVSA-N 433.596 5.735 30 10 IKEE CCCCCCCOc1cn(CCCOCCCC)c(CSc2nccn2C)cc1=O 1870252149 FXBYYHXWKYWTDN-UHFFFAOYSA-N 449.661 5.430 30 10 IKEE CCCCCCCCn1cc(OCc2c(C)noc2C)c(=O)cc1CN1CCCCCC1 1870565582 ONMLUDBNXHLXLE-UHFFFAOYSA-N 443.632 5.769 30 10 IKEE C=CCOc1cn(C[C@H](O)c2ccc(Cl)cc2)c(CNc2ccc(C)c(C)c2)cc1=O 1870812332 BUHKYVOCNVKOAT-DEOSSOPVSA-N 438.955 5.029 30 10 IKEE CCCCCCCOc1cn(CCCCCC)c(CNc2cc(C)ccc2C)cc1=O 1870839339 IUOSAJXPJJYTFQ-UHFFFAOYSA-N 426.645 7.007 30 10 IKEE CCCCCCCCCCN=c1[nH]c(Nc2cccc([N+](=O)[O-])c2C)ncc1[N+](=O)[O-] 1871311976 WXZPDBMSOPUWRP-UHFFFAOYSA-N 430.509 5.320 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc3c2CN(Cc2cc(C)ccc2C)CO3)C1=O 1871349034 OAYIJGPEMIHJOC-WGARJPEWSA-N 441.527 5.670 30 10 IKEE CCCCCCCCN1COc2c(cc3c(c2C)O/C(=C\c2cccc(OC)c2)C3=O)C1 1871355568 NENGMBZWZSWARU-IWIPYMOSSA-N 435.564 6.132 30 10 IKEE C=CCOc1cccc(C(=O)Nc2ccc3oc(C(=O)c4cccc(OC)c4)c(C)c3c2)c1 1871358260 JCDCHLXSHUTRPE-UHFFFAOYSA-N 441.483 5.798 30 10 IKEE Cc1cccc(/C=C2\Oc3c(cc4c(c3C)OCN(CCCCc3ccccc3)C4)C2=O)c1 1871360117 PKRGWARPUWQQAF-QQXSKIMKSA-N 439.555 6.094 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(CC)cc2)C3=O)cc1 1871375240 ALWQBISXQHPISO-XYGWBWBKSA-N 442.511 5.720 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871375661 WSYAGRKGGMAFGA-IWIPYMOSSA-N 428.484 5.466 30 10 IKEE Cc1nc2ccc(C(=O)Oc3ccc4c(c3C)O/C(=C\c3ccccc3)C4=O)cc2nc1C 1871379157 OGXXDGFKSPAKRZ-CFRMEGHHSA-N 436.467 5.390 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871382059 LKRQHEPWUVCHOF-UUYOSTAYSA-N 434.831 5.101 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)cc1 1871387296 NMKJVQVPMNOSHY-XKZIYDEJSA-N 445.427 5.137 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2)Oc2cc(OC(c3ccccc3)c3ccccc3)ccc21 1871430306 GXFOSQUSLVHSLX-ONUIUJJFSA-N 438.910 7.125 30 10 IKEE CCCCCCCCN=c1[nH]c(=NCCCCCCCC)[nH]c(=Nc2ccccc2)[nH]1 1871462273 JXAXQMOCYOVQKJ-UHFFFAOYSA-N 426.653 5.426 30 10 IKEE C=CCN(CC=C)c1nc(=NCc2ccc(C)cc2)nc(Nc2ccc(Cl)cc2C)[nH]1 1871570623 RZBJGPBBYHVVAB-UHFFFAOYSA-N 434.975 5.098 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccc(C(C)C)cc3)n2)cc1 1872770174 MGXDDOMVSKGHPD-FDDCHVKYSA-N 448.588 6.366 30 10 IKEE COC(=O)c1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc1 1872776564 RZVIZQWJSWGACG-VGZTZGLTSA-N 430.529 5.610 30 10 IKEE CCCCCCCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(F)c3)n2)cc1 1872777532 PVJGKVDJBPWYST-QFIPXVFZSA-N 436.552 6.788 30 10 IKEE N#C[C@H](C(=O)c1ccccc1C(=O)c1ccccc1)c1nc(-c2ccc(F)c(F)c2)cs1 1872779740 QCDDKFDDKCSNGT-LJQANCHMSA-N 444.462 5.809 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)Cc2c[nH]c3ccccc23)n1 1872786468 LEYUTTUWWKPPRS-GOSISDBHSA-N 435.936 5.681 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@@H](C#N)C(=O)/C=C/c2ccc(C(C)C)cc2)n1 1872788105 DBOQIAMHELSYPH-FXVWLTTGSA-N 436.964 6.485 30 10 IKEE COc1ccccc1CNC(=O)c1ccc(CSc2nc(C)c(C)c(C)c2C#N)cc1 1872895218 IMKOKFFIQHVECM-UHFFFAOYSA-N 431.561 5.109 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccccc2)=C(c2cccc(OC)c2)C1=O 1873215117 PFYAUMIIWWIHPX-UHFFFAOYSA-N 434.580 6.028 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(N(C)C)c2)=C(c2cccc(OC)c2)C1=O 1873218281 FSWIERUJRYQXGQ-UHFFFAOYSA-N 449.595 5.314 30 10 IKEE Cc1ccc(CN2C(=O)C(Nc3ccc(C#N)cc3)=C(c3c(C)cc(C)cc3C)C2=O)cc1 1873323063 DUTHNYOJKFLWCR-UHFFFAOYSA-N 435.527 5.184 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)cc2C)cc2c(NCCc3ccc(F)cc3)ncnc21 1873615784 ILKMVDQXTHFSQR-UHFFFAOYSA-N 443.526 5.280 30 10 IKEE C=CCSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1cccc(OC)c1 1874226650 VUCBXIUYWKCDLC-KOEQRZSOSA-N 436.581 5.075 30 10 IKEE CCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1c[nH]c2ccccc12 1874245012 UIGRQCSIDSFMGX-JVWAILMASA-N 433.625 5.903 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccc(C)cc3)n2/N=C/c2ccccc2)cc1 1874302350 UGWQJXBPNZGXMT-OVVQPSECSA-N 442.588 5.751 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2OC)n1/N=C/c1cccc(Cl)c1 1874314541 ZNPUAQLXOALHNH-ZVHZXABRSA-N 426.973 5.276 30 10 IKEE C(=N/n1c(CCCOc2ccccc2)nnc1SCc1ccccc1)\c1cccs1 1874316758 JDHRYBPKBOPOLN-JJIBRWJFSA-N 434.590 5.526 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccccc3Cl)n2/N=C/c2ccccc2)cc1 1874367892 JLFDKVFKMQGAMS-AFUMVMLFSA-N 439.371 6.426 30 10 IKEE Clc1ccccc1CSc1nnc(CCc2cccs2)n1/N=C/c1ccc[nH]1 1874371942 ZHDFXWCSPYZUCM-YDZHTSKRSA-N 427.986 5.281 30 10 IKEE Cc1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCc2ccc(C)cc2)cc1 1874379397 PVDGAHPBIOYHPT-JVWAILMASA-N 430.552 5.799 30 10 IKEE Cc1ccccc1CSc1nnc(COc2ccccc2)n1/N=C/c1cccc(Cl)c1 1874382835 KUUBEJPSOOTZJT-CVKSISIWSA-N 448.979 5.993 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2-c2ccccc2)cc1 1874428414 IBODBJSLYLVYMJ-NHFJDJAPSA-N 442.588 5.951 30 10 IKEE CCOc1cc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccccc2F)ccc1O 1874438705 OPNGZNZJBLRQEL-AFUMVMLFSA-N 442.560 5.285 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@H]3CCCO3)n2/N=C/c2c(F)cccc2Cl)c1 1874446218 VWDMQNOOHRBVTQ-GZQNEBGJSA-N 444.963 5.713 30 10 IKEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2C2CCCC2)c1 1874453028 ZXGTWIDKFXLOBX-CVKSISIWSA-N 447.608 5.474 30 10 IKEE CCSc1nnc(-c2ccco2)n1/N=C/c1cccc(OC)c1OCc1cccc(C)c1 1874464822 DRQMVJSFYUGTPU-MFKUBSTISA-N 448.548 5.428 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874475952 ASTFZLHLWFSGEF-YDZHTSKRSA-N 439.541 5.026 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1/N=C/c1c(Cl)cccc1Cl 1874477797 HYJRTFFODMZRAG-ZMOGYAJESA-N 433.408 6.410 30 10 IKEE CCSc1nnc(C2CC2)n1/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1874518890 PCDXTHYQTQNGHW-WYMPLXKRSA-N 447.391 6.036 30 10 IKEE Clc1ccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CC2)cc1 1874522780 KYBCOCBOZRAXCC-AUEPDCJTSA-N 437.783 6.290 30 10 IKEE Cc1ccc(Cc2nnc(S)n2/N=C/c2cccc(OCc3cccc(Cl)c3)c2)cc1 1874561100 DJOCETRBKIEMHH-CVKSISIWSA-N 448.979 5.581 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(S)nnc2COc2ccccc2Cl)cc1 1874565511 DYKBXUVBMXXFRL-OEAKJJBVSA-N 430.961 5.250 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1 1874573985 OSOYISBWJUSSAY-VHEBQXMUSA-N 438.542 7.797 30 10 IKEE Cc1ccc(COc2ccc(Br)cc2/C=C/C(=O)c2ccccc2Cl)cc1 1874574824 HXAUESNYDAMGOQ-ZRDIBKRKSA-N 441.752 6.886 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccccc1OCc1c(F)cccc1Cl 1874589524 PXFUWHXOKUBKCH-ZHACJKMWSA-N 445.317 6.925 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccccc1OCC(=O)NC1CCCCC1 1874590229 ZVIXKMMLKLVYJU-BMRADRMJSA-N 433.592 6.016 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OCc1cccc2ccccc12 1874595226 AGSGITOWGHPRFG-WYMLVPIESA-N 428.915 6.977 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3F)c(OC)c2)cc1 1874604724 BWKHYBSPYQMETD-GXDHUFHOSA-N 433.479 5.310 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OCCc2ccccc2)c(Br)c1 1874611313 GTDZLXYYTPXOKK-ACCUITESSA-N 437.333 5.975 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OCCc3ccccc3)c(OC)c2)cc1 1874613877 RVOSLJHCSBXWPE-NTEUORMPSA-N 436.935 6.265 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OCc1nc(O)c2ccccc2n1 1874620210 OAGURUFRFVPTFR-YRNVUSSQSA-N 444.462 5.267 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])c(C)c1 1874625161 OSPHFYCYGWQRFP-NYYWCZLTSA-N 448.450 5.264 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)cc2)c1C 1874629236 SINDMLQDPDAFCP-NTCAYCPXSA-N 441.571 6.451 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)c(OC)c1 1874632542 IQCHKHJUBLOYAQ-XNTDXEJSSA-N 445.515 5.234 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OC(=O)c1ccc(C)c([N+](=O)[O-])c1 1874698799 OTPNPTQOESHFHU-FMIVXFBMSA-N 447.443 5.036 30 10 IKEE COc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3cc(C(C)(C)C)ccc3OC)c2)cc1 1874709253 CFFMXTWUTVDFFX-OQLLNIDSSA-N 444.527 6.117 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@@H]2CCCO2)c(Cl)c1)c1ccc(Cl)cc1Cl 1875104789 OARDWXIRERQAQD-CZXUKVBWSA-N 425.695 5.627 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl 1875116897 YIHGXAOCSLSRSL-WUXMJOGZSA-N 427.884 6.020 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 1875117609 SDZMTCLEVPIWNK-MDWZMJQESA-N 445.899 6.029 30 10 IKEE CCCCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccc(C)cc2C)cc1OC 1875134082 PJNDQPDQCUTENP-PKNBQFBNSA-N 445.353 6.066 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(C)c3)cc2[N+](=O)[O-])cc1 1875141499 HPYQXFMNAKLHRS-YRNVUSSQSA-N 433.435 5.395 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(C)c3)cc2[N+](=O)[O-])cc1 1875141940 DGFJNSRIWMJZAE-WUXMJOGZSA-N 433.435 5.720 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2)cc1 1875156180 NJUHCARCNHOFCC-GIJQJNRQSA-N 442.555 6.643 30 10 IKEE Cc1cccc(C)c1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 1875159870 OYVLPMKMASCUJR-WUXMJOGZSA-N 449.434 5.231 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N1CCC(C)CC1)n2CCC 1875205464 PRWNECWBCQEFFP-UHFFFAOYSA-N 441.664 6.266 30 10 IKEE C=CCn1c(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc2c(NCCCCc3ccccc3)ncnc21 1875229845 HZEFNFUKOIEEIH-OYRHEFFESA-N 445.611 5.170 30 10 IKEE COC(=O)Cc1cc(N=[N+]=[N-])cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c1 1887513609 VKRROHHWGRWRPB-UHFFFAOYSA-N 428.448 5.705 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C=CC(=O)Cc2cc(F)cc(Br)c2)cc1 1911941862 UHFWCJTYAXLQKM-UHFFFAOYSA-N 434.305 5.760 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1snc(C)c1NC(=O)OC(C)(C)C 1922124518 HJWPGLAOBSLNCX-LJQANCHMSA-N 431.602 5.612 30 10 IKEE C=C1CCC(C[C@@H](NCCC)[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)CC1 1946537170 BRGJZWPIOQAVHG-DNQXCXABSA-N 430.633 5.601 30 10 IKEE CCCCCCC[C@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)NCCC 1947422969 YGAFYABCEGGJOQ-XMMPIXPASA-N 433.681 5.742 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@H](C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2021497339 IOUWZFFRNAJMQA-ZWKOTPCHSA-N 449.617 5.413 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCC2)C12CCCC2 2024623872 KCCLOWCCMSMUCR-XMMPIXPASA-N 433.593 5.382 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1 2028028732 XFHVVQKTOHIJFE-CYFREDJKSA-N 447.576 5.268 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCC[C@@H]2CNC(=O)OC(C)(C)C)cc1 2032225620 RMRWHKVYJCRSMW-MZNJEOGPSA-N 445.560 5.024 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@]1(C#N)C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2033850094 ZTRLMCVHCWFRMF-QXSURTEESA-N 435.543 5.657 30 10 IKEE CC(C)N[C@]1(C#N)CCC[C@H]1CCN(CCN(C)Cc1ccccc1)Cc1ccccc1 2034739703 PADGUUMVLZASHN-NSOVKSMOSA-N 432.656 5.071 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Cl)c(Br)c1F 2035956035 ORWQODLTRRJJDT-CZUORRHYSA-N 435.765 5.362 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)[C@@H](C)CN(C(=O)OC(C)(C)C)C[C@H]2C)c1 2042145653 XVFJQVSFUKCZDK-XMZFGDCGSA-N 443.588 5.522 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@](C#N)(N(C(=O)OC(C)(C)C)C3CCCCC3)C[C@]2(C)C1 2052771889 UDFVEWXHXRVOJM-MUEKUWCCSA-N 447.620 5.486 30 10 IKEE Cc1nn([C@H](c2ccc(C3CC3)cc2)C(C)(C)C)c(I)c1/C=N/O 2078998205 DEFHNYOAXABPRP-LASGFXPTSA-N 437.325 5.117 30 10 IKEE CC(C)(C)c1nn(-c2ccc(F)cc2C(F)(F)F)c(Br)c1C(F)(F)F 2079697998 DYQWKGDHLBZQBD-UHFFFAOYSA-N 433.165 6.109 30 10 IKEE C=CCCCCCCCCC[C@H](N)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2086264927 YPUGRJMFUKZPDE-LOSJGSFVSA-N 446.676 6.511 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)c(F)c1F 2159121364 SYKMVAHWFVFSCH-YJBOKZPZSA-N 445.348 5.075 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H](CNc2ccc(C#N)c(Br)c2)C1 2162334594 RALAVWZOYWLADA-MRXNPFEDSA-N 434.378 5.160 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@H]2Nc1cc(Br)cnc1C#N 2167616033 HDWUPHNYNSFPFI-MRXNPFEDSA-N 429.318 5.162 30 10 IKEE CCCC1(NC(=O)OC(C)(C)C)CCN(c2cc(Br)c(C#N)cc2F)CC1 2174807729 FSSNSFWIRTUDHJ-UHFFFAOYSA-N 440.357 5.124 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1CN(c1ccc(C#N)cc1Br)C1CC1 2174810569 NVZKHPIXHYZLCK-KRWDZBQOSA-N 434.378 5.079 30 10 IKEE CCN(C(=O)OC(C)(C)C)c1ccc(CNc2ccc(C#N)c(Br)c2)cc1 2176856613 VNJLTQZYBVSTMI-UHFFFAOYSA-N 430.346 5.694 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2sc(C)c(C)c2Br)c1 2229238863 OLMSWMUZCKQHFG-MRXNPFEDSA-N 435.387 6.442 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](C#Cc1ccccc1Br)NCCC 2235733771 UTGKYMPNEPIEDY-VQTJNVASSA-N 435.406 5.028 30 10 IKEE C=CC[C@H](C)Oc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C(=O)O)c1 2243586900 XTZFNPKDYPPOTA-KRWDZBQOSA-N 443.499 6.089 30 10 IKEE C=C(COCc1ccccc1)[C@H](CCC[C@H]1CCN(C(=O)OC(C)(C)C)C1)NCCC 2253201858 JNKHCGQEXZAVFT-UPVQGACJSA-N 430.633 5.555 30 10 IKEE CCCCCCCCCC[C@@H](N)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2256693906 IZIZUDVJDDNTMG-XMMPIXPASA-N 446.676 6.298 30 10 IKEE C=CCCC1(C(=O)Cc2ccc(Br)cc2Cl)CN(C(=O)OC(C)(C)C)C1 2266277448 VAUPEIMCNKMBCM-UHFFFAOYSA-N 442.781 5.417 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(F)c([C@H](N)C#Cc2ccccc2Br)cc1F 2283423049 FEDCGHISEPIYEA-QGZVFWFLSA-N 437.284 5.126 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)C[C@H](C)C(C)(C)NC(=O)OC(C)(C)C 2286776145 MGBYNFFSJPGREU-FUHWJXTLSA-N 437.422 5.108 30 10 IKEE C=CCN(CC[C@@H](NCCC)c1cc(F)cc(Br)c1F)C(=O)OC(C)(C)C 2288357959 UXWOBYREUIGYEZ-QGZVFWFLSA-N 447.364 5.581 30 10 IKEE CCN[C@@H](C#CC1CCCCC1)c1ccc(Br)cc1I 2289688375 UDHZKFUQNMBCLT-KRWDZBQOSA-N 446.170 5.288 30 10 IKEE CN[C@@H](C#Cc1cccc(Br)c1)[C@@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C 2296215972 GFRLESYNLFYXIV-RBUKOAKNSA-N 437.422 5.060 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)C[C@H](C)C(C)(C)NC(=O)OC(C)(C)C 2296229506 KGCISGVDVJDWPL-QFBILLFUSA-N 437.422 5.108 30 10 IKEE Cc1ccc(N=C2SC(=Cc3sccc3C)C(=O)N2c2ccc(C)c(C)c2)cc1C 2296977101 FIJWMXCSVRBIGI-UHFFFAOYSA-N 432.614 7.099 30 10 IKEE COc1cc(Cl)cc(C=C2N=C(SCc3ccc(Cl)cc3)SC2=O)c1OC 2297366899 QONSFMBEJYADFS-UHFFFAOYSA-N 440.373 5.914 30 10 IKEE CCN[C@@H](C#Cc1nc(CC)cs1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2300949079 HSFOLDMNDZPWOH-JOCHJYFZSA-N 441.641 5.253 30 10 IKEE CC[C@]1(C)N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2315231326 LNSQDKHBVPBNOO-ZEQRLZLVSA-N 447.551 5.639 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(CC)n2N=Cc2ccc(C(C)(C)C)cc2)cc1 2320956490 UFFJEYWQAIKZOM-UHFFFAOYSA-N 449.624 5.313 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OCc3ccc(Br)cc3)cc(C)c2C1=O 2321847401 QLUHDOLXHXXICD-UHFFFAOYSA-N 435.317 6.261 30 10 IKEE CC(C)(C)c1cc(C=Nn2c(S)nnc2Cc2ccccc2F)cc(C(C)(C)C)c1O 2321981779 OHNNIZNAKDDIGR-UHFFFAOYSA-N 440.588 5.480 30 10 IKEE C[C@@H](N1COc2ccc3c(c2C1)OC(=Cc1ccco1)C3=O)C12CC3CC(CC(C3)C1)C2 2322261001 FETZUKNGTQDNEM-UYTITELCSA-N 431.532 5.653 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)N[C@@H](C)c2ccccc2)cc1 2322456890 LDIHSWRXZDKQGU-SFHVURJKSA-N 449.934 5.501 30 10 IKEE CCN(CC)C(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc(OC)c(C)c1C 2322825259 QAXCAJGYJOIUSW-UHFFFAOYSA-N 429.944 5.109 30 10 IKEE COc1cccc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)c1OCc1ccccc1 2322833268 MIJLXTAXDNJKHS-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OC(=O)Cc4ccc(Cl)cc4)c3C)C2=O)c1 2322899746 BHVMHCKINZLREI-UHFFFAOYSA-N 434.875 5.421 30 10 IKEE Cn1cc(C=C2Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc3C2=O)c2ccccc21 2322899807 YKFVHVVGIAFJRB-UHFFFAOYSA-N 443.886 5.596 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2ccccc2Cl)c(OC)c1 2322907205 WXLVPOBXKDOODA-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC)c(OCc3ccccc3Cl)c2)c1 2323177541 GMTHDZASUIRRHN-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(OC(=O)COc4ccc(C)cc4)c3C)C2=O)cc1 2323200244 DBKMGHJXKHNTIN-UHFFFAOYSA-N 444.483 5.303 30 10 IKEE COc1ccc(C=CC(=O)c2cccc3ccccc23)cc1OCc1c(F)cccc1Cl 2323202173 NUFFNNZRKVNBCT-UHFFFAOYSA-N 446.905 7.116 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1F 2323202352 JWOOPQPPDNVTPU-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OCc1c(F)cccc1Cl 2323767876 HBKVFCAYTRFJNV-UHFFFAOYSA-N 445.317 7.006 30 10 IKEE C=CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(OC)c2)C3=O)cc1 2323865392 WNGSJQPJGATKKA-UHFFFAOYSA-N 442.467 5.404 30 10 IKEE CCOc1ccc(C=NNc2nc(-c3ccc(C)c(C)c3)cs2)cc1Br 2323865435 BFWQJVPHZKVVKU-UHFFFAOYSA-N 430.371 6.034 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2OCC)o1 2323959708 LFTNDIMMFVXMTA-UHFFFAOYSA-N 448.515 5.947 30 10 IKEE Cc1cc(OC(=O)CCc2cccs2)cc2c1C(=O)C(=Cc1c(F)cccc1Cl)O2 2323983474 KXXBKWRBHRRZCD-UHFFFAOYSA-N 442.895 6.003 30 10 IKEE CCCNC(=O)COc1c(Cl)cc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OC 2324154273 DUMFLILXWZLKLO-UHFFFAOYSA-N 429.944 5.273 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3cc(OC)ccc3OC)n2)cc1 2324405478 DXWYICIYVDNZSA-JOCHJYFZSA-N 446.572 6.060 30 10 IKEE Cc1ccc(OCCCOc2ccc3c(c2)OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)cc1 2324545116 ITGWUCYZWQFBIG-UHFFFAOYSA-N 442.555 6.757 30 10 IKEE COc1ccc(C=C2Oc3cc(OCCCOc4ccc(C)cc4)ccc3C2=O)cc1OC 2324545197 ULOYZJAYIUQTKW-UHFFFAOYSA-N 446.499 5.476 30 10 IKEE Cc1ccccc1OCCCCOc1ccc2c(c1)OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2324598539 BROGGERDGYBBAM-UHFFFAOYSA-N 445.471 5.757 30 10 IKEE Cc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 2324697291 URTQCQRVAAZKQJ-XMMPIXPASA-N 436.536 6.801 30 10 IKEE COC(=O)c1ccc(C=C2Oc3c(ccc(OCc4cc(C)c(C)cc4C)c3C)C2=O)cc1 2324765414 YRPLYUOYBKOUED-UHFFFAOYSA-N 442.511 5.902 30 10 IKEE Cc1cccc(C(C)C)c1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccccc1)C2=O 2324990018 VDFJCRCBYRYRJG-UHFFFAOYSA-N 441.527 6.061 30 10 IKEE COc1cccc(C=Nn2c(CCc3ccccc3)nnc2SCc2cccc(F)c2)c1 2325441990 PLUFWQWZCGKUEK-UHFFFAOYSA-N 446.551 5.386 30 10 IKEE CCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccc(C(C)(C)C)cc1 2325552348 QNFGKWDMDOVXTB-UHFFFAOYSA-N 437.569 5.611 30 10 IKEE CCOc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2F)C3=O)cc1 2325705314 NSFCMCGFMFBUHT-UHFFFAOYSA-N 447.462 5.167 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1OC(=O)c1ccc(N(C)C)cc1 2325725352 PXXTYBIKCLWLSF-UHFFFAOYSA-N 437.442 5.155 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4c(C)cc(C)cc4C)cc(C)c3C2=O)cc1 2325736706 BILSJBKDDYVQRC-UHFFFAOYSA-N 441.527 5.862 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccc(C)c(C)c4)c3C)C2=O)c1 2325738731 FRAOMVBUGBUTKZ-UHFFFAOYSA-N 443.499 5.254 30 10 IKEE Cc1cncc(C(=O)Oc2cccc(C=CC(=O)c3ccc(Oc4ccccc4)cc3)c2)c1 2325754918 FCDXAXPWMPYPRW-UHFFFAOYSA-N 435.479 6.298 30 10 IKEE COc1ccccc1CC(=O)Oc1cccc(C=CC(=O)c2cc(C)cc(C)c2OC)c1 2325757466 LHKAHGBWAYUKEJ-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc1OC(=O)c1cccs1 2325763733 FOMFFMYOWZDJTG-UHFFFAOYSA-N 442.920 5.842 30 10 IKEE CCOc1cccc(C=Nn2c(COc3cc(Cl)ccc3Cl)nnc2SC)c1 2325911079 YIDCDTUREKOGEO-UHFFFAOYSA-N 437.352 5.167 30 10 IKEE C=C(C)CSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccccc1Cl 2327754035 XNHAEWWYAKCARM-UHFFFAOYSA-N 432.980 6.226 30 10 IKEE CCCSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1ccccc1OC(C)C 2328568750 LJKWXYJUMXNRAO-UHFFFAOYSA-N 438.597 5.439 30 10 IKEE Cc1cccc(CSc2nnc(COCc3ccccc3)n2N=Cc2ccccc2F)c1 2329316956 LAZXBJSOYAWRPH-UHFFFAOYSA-N 446.551 5.617 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc(F)c2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 2330627207 UXTSDVRLSVMTTF-UHFFFAOYSA-N 425.799 5.503 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2F)c([N+](=O)[O-])c1)c1ccc2ccccc2c1 2330664540 IEIWKVXFZGZXFV-UHFFFAOYSA-N 441.414 6.002 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3c(F)cccc3Cl)cc2)cc1OC 2330707564 ZRWPDUSDNSUACA-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)ccc1OC(=O)c1cccc(OC)c1 2330794711 QHFWFTYUEIBNTF-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE CCSc1nnc([C@H]2CCCO2)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2330944321 LHYQTNUFPKALDW-HXUWFJFHSA-N 442.972 5.356 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)C(F)(F)F 2331129295 YVHAOKCMWONIIO-UHFFFAOYSA-N 433.209 5.756 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)c1ccc(C(F)(F)F)cc1 2331180212 GUFPNHVSUMVKGA-UHFFFAOYSA-N 440.417 6.219 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2Br)cc1 2331224479 SRGKQRITHWBPDJ-UHFFFAOYSA-N 449.344 6.490 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)c([N+](=O)[O-])c2)cc1 2331273243 BEOWQLHIPKAOBM-UHFFFAOYSA-N 445.515 5.921 30 10 IKEE CCCCc1nnc(SCCc2ccccc2)n1N=Cc1cccc(Br)c1 2331339497 LMRDALRZQYFXOI-UHFFFAOYSA-N 443.414 5.600 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)cc1 2331491461 IVMUULSGUAXXCY-UHFFFAOYSA-N 449.890 6.487 30 10 IKEE Brc1cccc(C=Nn2c(SCc3ccccc3)nnc2C2CCC2)c1 2331521159 HIGKMIYZWQMVOJ-UHFFFAOYSA-N 427.371 5.483 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc(OC)c1OC(=O)CC(C)C 2331669930 RFDWRNFXPABVFG-UHFFFAOYSA-N 436.548 5.897 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)c3ccccn3)c(OC)c2)c1 2331685349 AFJADECRWYQKEY-UHFFFAOYSA-N 447.487 5.003 30 10 IKEE CCOc1cc(C=Nn2c(SCc3cccc4ccccc34)nnc2C(C)C)ccc1O 2331706360 HHGFHCUFLFNNMW-UHFFFAOYSA-N 446.576 5.834 30 10 IKEE CC(C)c1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(Cl)cc1Cl 2331708273 ZBDYWGXOJCRTFJ-UHFFFAOYSA-N 439.799 6.536 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)c(C)c3)cc2)c(OC)c1 2331716724 FVTFPHSVLMIAID-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)c(OC)cc2C)ccc1OC(=O)c1ccccc1F 2331852574 LFPRVTDYRRHTJD-UHFFFAOYSA-N 448.490 5.965 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)cc(OC)c1OC(=O)C1CC1 2331865878 HALIQSYYTJAOQZ-UHFFFAOYSA-N 432.472 5.077 30 10 IKEE CC1(C)OB(c2ccc(Oc3cccc(Br)c3Cl)c(C#N)c2)OC1(C)C 2364703029 AINLVIKVYSWPDN-UHFFFAOYSA-N 434.526 5.066 30 10 IKEE C=CCOc1ccccc1NC(=O)COc1ccc(-c2ccccc2)cc1Br 9815957 ANUKRXOFIIOHCI-UHFFFAOYSA-N 438.321 5.698 30 10 IKEE CCOc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2nc(SCc3cccc(C)c3)nn21 9856594 WSGBRJIXRZQUHN-HSZRJFAPSA-N 446.576 5.300 30 10 IKEE CC(C)COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cc(F)ccc2F)cc1 21226547 KHLNXTOQWWVGER-OXJNMPFZSA-N 425.475 5.004 30 10 IKEE C=CCNC(=O)c1cc(-c2csc(-c3ccccc3Cl)n2)n(Cc2ccco2)c1C 33468185 HWCGZFCMJKWDIL-UHFFFAOYSA-N 437.952 5.798 30 10 IKEE C[C@@H]1Oc2ccccc2C=C1/C=C1/Oc2cc(OC(=O)/C=C\c3ccccc3)ccc2C1=O 33489427 REVLGCJWUCABLD-WZPALHGYSA-N 436.463 5.629 30 10 IKEE CC(C)(C)c1ccc(Cn2c(/N=C/c3ccc(Br)cc3)nc3ccccc32)cc1 33751103 FUQUXEHIZBCOBC-JVWAILMASA-N 446.392 6.895 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C\C(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1 34954570 PFPGKLXICUJDQU-UKWGHVSLSA-N 434.491 6.478 30 10 IKEE C=CCOC(=O)c1sc2ncn(Cc3c(Cl)ccc(Cl)c3Cl)c(=O)c2c1C 71433858 NYQDIBCCRVSFJR-UHFFFAOYSA-N 443.739 5.118 30 10 IKEE CCn1cc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(C)cc4)c3C)C2=O)c2ccccc21 103024457 XHXLKYJBFVAGKL-MYYYXRDXSA-N 437.495 6.113 30 10 IKEE CC(C)n1ncc2c(C(=O)Nc3cccc(C#Cc4ccccn4)c3)cc(-c3ccco3)nc21 105723246 XYUOZOFLEMFHKU-UHFFFAOYSA-N 447.498 5.319 30 10 IKEE CCCCCCCCCC[C@@H](NCC)c1cc(Br)c(Br)s1 162356590 UIECEYLVWILVKN-OAHLLOKOSA-N 439.301 7.455 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccc(C)cc2C)cc1 169925729 XOWDNOUXJPAPEI-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE CCCN1C(=S)N[C@H](c2cc(Cl)c(OCC)c(Cl)c2OCC)C(C(C)=O)=C1C 169930438 ABJIXUQRCOZUEY-QGZVFWFLSA-N 445.412 5.295 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)ccc2C)c1 169933260 DDVORRPCESWTHK-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@H](c2ccccc2OCc2ccc(C)cc2)NC(=S)N1 169937837 UWPRVNOQYGDNNX-DEOSSOPVSA-N 428.557 5.250 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccncc2)cc1 170017345 BIZSAECXWJQKKB-VWLOTQADSA-N 440.543 5.481 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccccc2)cc1 170054441 HCXYNGQEJWDEGN-QFIPXVFZSA-N 433.891 5.127 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4cc(F)ccc4[nH]3)[C@@H]2c2ccccc2)cc1 170056314 ACWSZSONAXLERT-JOCHJYFZSA-N 441.462 5.047 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccc(Cl)cc3)[C@@H]2c2ccco2)c1 170096710 QZODLNYVUUFOJS-JOCHJYFZSA-N 435.907 5.371 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc(OC)c1 170121087 XNNRXSDBLQUDPX-DEOSSOPVSA-N 429.516 5.617 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2Cc2ccccn2)c1 170144289 PVYUAEGYTXKYHI-VWLOTQADSA-N 434.495 5.322 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccs2)c1 170155686 BUHKXZWPOQTCMZ-OAQYLSRUSA-N 437.492 5.457 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1ccccn1)c1ccc2ccccc2c1 170176700 AXCXSYNVSRGXBH-QHCPKHFHSA-N 442.421 5.296 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccncc2)cc1C 170200510 NUFCLQQZSSCOGV-DEOSSOPVSA-N 442.515 5.188 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(Cl)cc2)c1 170236925 IHDHZQBAJIJYPW-JOCHJYFZSA-N 439.939 5.650 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(F)cc2)c1 170242197 JGLVDDGZAIFKGA-QHCPKHFHSA-N 437.511 5.526 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1c1ccccc1O 170314570 TUMFMQOXLYUMJJ-SFHVURJKSA-N 425.893 5.198 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cccc(OCCC)c1 170323367 XFXKVKNAMFMJJB-JOCHJYFZSA-N 425.500 5.301 30 10 IKEE C[C@@H]1CC/C(=C/C=C/c2ccccc2[N+](=O)[O-])C(=O)/C1=C/C=C\c1ccccc1[N+](=O)[O-] 252625346 QHSOFLQDNNTTDE-KWTYBBJMSA-N 430.460 6.081 30 10 IKEE Cc1n[nH]c(N=Cc2ccc(OCc3ccccc3)cc2)c1-c1cccc(Br)c1 252625991 QTOZMAVBNFKXQP-UHFFFAOYSA-N 446.348 6.477 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2ccc(C=Nc3ccc(N4CCOCC4)cc3)cc2)cc1 254319163 VDIPBEGLYOZPDS-UHFFFAOYSA-N 442.559 5.791 30 10 IKEE COc1ccc(-c2cc(C(C)=NOCc3ccc(F)cc3)c(C)n2-c2cccc(C)c2)cc1 254458500 RWFBDSRFTGHMNZ-UHFFFAOYSA-N 442.534 6.850 30 10 IKEE CCn1c2ccccc2c2cc(C=Nc3ccc(-c4nc5ccc(C)cc5s4)cc3)ccc21 254843881 BARODRKTLSQBCK-UHFFFAOYSA-N 445.591 8.150 30 10 IKEE CC(=NOCc1ccc(F)cc1)c1cc(-c2ccc(F)cc2)n(-c2cccc(C)c2)c1C 254874664 KGTGRMXNKHFKTM-UHFFFAOYSA-N 430.498 6.980 30 10 IKEE N#CCc1cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)ncc1C(F)(F)F 514262621 PJGVQKMSCFSOGY-UHFFFAOYSA-N 434.459 7.100 30 10 IKEE CCOc1cc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(F)c2)ccc1OC 526707804 JFIOWOLILSGBOY-QHCPKHFHSA-N 447.462 5.016 30 10 IKEE Cc1cc(C)cc(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccccc2F)c1 526809778 UDRQBUKVUIHZMW-YUMHPJSZSA-N 430.552 5.799 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1c[nH]c2ccccc12 526815369 RTQVSXYXKLOUQG-MYKKPKGFSA-N 430.364 5.803 30 10 IKEE COc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)cc1O 698481018 CPNHATLGBJJUPP-INIZCTEOSA-N 433.302 5.170 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@H](C#N)c1cc(Cl)ccc1Br 698866853 NUYRDMSKPGVKHS-INIZCTEOSA-N 441.778 6.166 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@H](C#N)c1cc(Br)c2c(c1)OCO2 700604508 MMQUQQLRBXETIO-MRXNPFEDSA-N 437.334 5.312 30 10 IKEE c1ccc(CN(Cc2ccccc2)C2(C/N=C3/N[C@@H](C4CCCCC4)CS3)COC2)cc1 705690670 BHKXOOAWBROQKN-RUZDIDTESA-N 449.664 5.099 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 724064345 OOOPHCDRVSVLNJ-DVECYGJZSA-N 429.561 5.011 30 10 IKEE Cc1ccc(N=C2S[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC(=O)N2C)cc1C 725385038 LDBJXKVVLUWFMK-QGZVFWFLSA-N 436.364 5.200 30 10 IKEE CC1(C)CC(=O)[C-]([C@H](C2=C(O)CC(C)(C)CC2=O)c2ccc(C(F)(F)F)cc2)C(=O)C1 1615164772 KUPMLNWPHGLBBR-IBGZPJMESA-N 435.462 5.523 30 10 IKEE CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)O/C(C(=O)c1ccccc1)=C(/O)c1ccccc1 1615217060 RRTJCTUJMZJJJD-NQDNANIMSA-N 431.315 5.931 30 10 IKEE C=CCOc1ccc(/C=C2/SC(=Nc3cccc(C)n3)N(c3ccccc3)C2=O)cc1 1772735377 GZJSRGLVJGYTHH-VJGHDNFWSA-N 427.529 5.763 30 10 IKEE C=CCOc1ccccc1/C=C1/SC(=Nc2nc(C)cs2)N(C2CCCCC2)C1=O 1772738504 OFUNPTFAODHRAK-SKYIDQJDSA-N 439.606 5.953 30 10 IKEE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNc2ccc(F)cc2)CCC3)ccc1Cl 1772751199 XBPLLTJJFCKGNE-UHFFFAOYSA-N 426.875 6.061 30 10 IKEE Cc1ccccc1C=NN=C1S/C(=C\c2ccc(N(C)C)cc2)C(=O)N1Cc1ccco1 1772757157 MKTRHMGNFZSGSC-DGRCWVCVSA-N 444.560 5.161 30 10 IKEE CCCCCCn1c2ccccc2c2nnc(NN=Cc3ccccc3OCCCC)nc21 1772764797 VRWFFKCLMMQRQG-UHFFFAOYSA-N 444.583 6.185 30 10 IKEE N#Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3c(Cl)ccc(Cl)c3Cl)C2)cc1 1860913051 ZPGONTBMUPDCRN-ZDUSSCGKSA-N 436.726 5.009 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCc2ccc(F)cc2)c1 1862429782 VBMPGBMKEKNHFU-HSZRJFAPSA-N 449.909 5.609 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1862483648 CJERBPLKMHOIBG-FQEVSTJZSA-N 442.899 5.181 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2cccc(Cl)c2)cc1 1862486761 KVTUFPCBDQLANS-XMMPIXPASA-N 445.946 6.044 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCC(C)C)ccc1O 1862494886 IGFXFSCAVQUYKV-HSZRJFAPSA-N 437.536 5.032 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 1862536527 AQBHFUNEIBSGCW-XMMPIXPASA-N 445.515 5.409 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCCOC(C)C)cc1 1862543478 IMJHWTXBTUKJBW-RUZDIDTESA-N 447.575 5.267 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cc(Cl)cc(Cl)c1 1862553851 PEUZFBCQEFHOLM-OAQYLSRUSA-N 442.342 5.637 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(C)c1 1862581005 XFCIDLNYYUJYGO-HXUWFJFHSA-N 448.346 5.307 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862595484 MSXHMCFZDNRMLO-VWLOTQADSA-N 447.575 6.207 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862625361 DOBYOLBNGRFKKD-XMMPIXPASA-N 447.531 5.415 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(Cl)cc1 1862652940 NAQPWXCOTQHECT-QHCPKHFHSA-N 433.935 6.118 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CC)cc1 1862656680 LOKIZXOBLRNPEO-RUZDIDTESA-N 443.543 6.007 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2cccc(Br)c2)cc1 1862670434 SVCOJTPEYRHIOV-FQEVSTJZSA-N 440.337 5.313 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@H](C)c2ccccc2)c1 1862674485 YMLSZCHTIQKKPU-MWTRTKDXSA-N 431.463 5.174 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2c(Cl)cccc2Cl)c1 1862705958 KFWRLTVRDZWTST-FQEVSTJZSA-N 448.346 5.626 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)cc2)=C(c2ccc(OCC)cc2)C1=O 1863203196 JEFBIUDJGQCEEJ-UHFFFAOYSA-N 438.543 5.777 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2cccc(C)c2)=C(c2ccc(F)cc2F)C1=O 1863661242 JHSCHTJOWDYQRX-UHFFFAOYSA-N 440.534 5.503 30 10 IKEE CC(C)c1nc(Nc2cccc(C#N)c2)cc(N2C[C@H](C)O[C@H](c3ccc(F)cc3)C2)n1 1868221455 MTLMIJWOCQVYLR-JTSKRJEESA-N 431.515 5.321 30 10 IKEE C=CCN(CC=C)c1cc(N(CCC)CCCN(C)C)nc(-c2ccc(C(C)(C)C)cc2)n1 1869351772 IUMVJPBQQOFTFV-UHFFFAOYSA-N 449.687 5.788 30 10 IKEE N#Cc1nnn(Cc2ccc(Cl)cc2Cl)c1NC(=O)c1ccc(Cl)cc1Cl 1870108312 AFJDYXPOVCYSEP-UHFFFAOYSA-N 441.105 5.064 30 10 IKEE CC(C)=CCOc1cn(CCC(C)C)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870166109 DUSKJIRGDYSDNQ-UHFFFAOYSA-N 439.625 5.724 30 10 IKEE CCCCCCCCn1cc(OCCOc2ccc(Cl)cc2)c(=O)cc1CN(C)C 1870458549 MCAZINFMEZPFFC-UHFFFAOYSA-N 435.008 5.382 30 10 IKEE Cc1c2c(cc3c1O/C(=C\C=C\c1ccccc1)C3=O)CN(Cc1cccc(Cl)c1)CO2 1871359069 HNTWJZQNMYYNFH-WYZMFLDLSA-N 443.930 6.173 30 10 IKEE Cc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)cc1 1871367214 ZRUSCYZCGXBXCV-FUPWBYONSA-N 425.484 5.296 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2Br)C3=O)cc1C 1871372901 QNQLOLPTANMBRW-UUYOSTAYSA-N 449.300 5.901 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(OCC(C)C)cc4)c3C)C2=O)cc1 1871383267 NDQOESYYSJIMNM-MYYYXRDXSA-N 442.511 6.174 30 10 IKEE CCCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2)C3=O)cc1 1871390661 IAUAJDJOUFOEJX-KQWNVCNZSA-N 442.467 5.536 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4cc(C)cc(C)c4)c3C)C2=O)c1 1871454810 ZCXBMZDHZHXXOE-OYKKKHCWSA-N 443.499 5.254 30 10 IKEE CCCCCCCCCCN=c1nc(N(CCC)CCC)[nH]c(=Nc2cccc(O)c2)[nH]1 1871716788 DVNAYYJXEXNMNW-UHFFFAOYSA-N 442.652 5.344 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)c(C)c1)c1ccccc1)S(=O)(=O)c1ccccc1 1871899891 MOCKJMILHDHBQH-VWLOTQADSA-N 448.588 5.250 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccccc1 1872009798 HJXHTDBETHPZFB-HSZRJFAPSA-N 442.625 5.358 30 10 IKEE N#C[C@H](C(=O)CCCOc1ccccc1Cl)c1nc(-c2cccc(Cl)c2)cs1 1872766471 KBPYWJKWEGJGCB-MRXNPFEDSA-N 431.344 6.152 30 10 IKEE Cc1ccc(C)c(-c2csc([C@@H](C#N)C(=O)c3c(Cl)ccc(Cl)c3Cl)n2)c1 1872772610 QPQUARJAVLQLAV-ZDUSSCGKSA-N 435.763 6.877 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccc(Cl)cc3)n2)cc1F 1872774857 DMDSYTRKEDMRJE-MLGOLLRUSA-N 430.888 5.255 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)COc2ccc(C)cc2C)n1 1872777494 PBTPUYRUKHIUCS-HXUWFJFHSA-N 448.588 5.988 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2C)C(=O)N([C@H]2CCCC[C@@H]2C)C1=O 1873102219 IXSLUIUQLYWZGH-UPVQGACJSA-N 438.656 6.384 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cccc(C)c2)=C(c2cccc(OC)c2)C1=O 1873215106 OYDJJMDEQQQHPS-UHFFFAOYSA-N 448.607 6.336 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(F)c(F)c2F)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873276948 WMPKSBZPOSEFDO-UHFFFAOYSA-N 434.417 5.149 30 10 IKEE CCCCCOc1ccc(/C=N/Nc2oc([C@@H]3C[C@@H]3c3ccccc3)nc2C#N)cc1OC 1873470492 JFXKWLZLXMVNFS-XIVOGXDVSA-N 444.535 5.841 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C(C)C)cc2)cc2c(NCc3ccccc3)ncnc21 1873608712 KUIAACXEIMGFCO-UHFFFAOYSA-N 425.536 5.605 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(CCCC)cc2)cc2c(NCCCOC(C)C)ncnc21 1873628764 RPEYCZNTKVEKOF-UHFFFAOYSA-N 449.599 5.439 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2C)n1/N=C/c1ccc(C(C)C)cc1 1874250275 WSGVHYKTTDXODL-WPWMEQJKSA-N 448.636 6.272 30 10 IKEE C=CCSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1cccc(OCCC)c1 1874261187 MTYMNIDUNGPYEN-AFUMVMLFSA-N 444.507 5.084 30 10 IKEE Oc1ccc(/C=N/n2c(CCc3ccc(Cl)cc3)nnc2SCc2ccccc2)cc1 1874282885 FBOHYKNUPVMMLK-WGOQTCKBSA-N 448.979 5.597 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccc(O)cc2)cc1C 1874320763 IVNNAUGRHFXRTP-CVKSISIWSA-N 444.560 5.354 30 10 IKEE C=CCSc1nnc(CCc2ccccc2)n1/N=C/c1cc(Br)ccc1F 1874403899 YNWDYFZJIPVBPT-OEAKJJBVSA-N 445.361 5.125 30 10 IKEE Cc1cccc(/C=N/n2c(CC3CCCCC3)nnc2SCC(=O)Nc2ccccc2)c1 1874405085 FRZCYJHSVQXODM-YZSQISJMSA-N 447.608 5.322 30 10 IKEE Cc1cccc(CSc2nnc(Cc3cccs3)n2/N=C/c2ccc([N+](=O)[O-])cc2)c1 1874410446 UJVHPGVXKRMVNF-OEAKJJBVSA-N 449.561 5.322 30 10 IKEE CCOc1cc(/C=N/n2c(SCCc3ccccc3)nnc2-c2ccccc2)ccc1O 1874428260 ABRQLOACXZQUMS-NLRVBDNBSA-N 444.560 5.266 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(SCc2ccccc2F)nnc1[C@H]1CCCO1 1874446090 SGRPMNXFHMTVBE-PFRKPPGBSA-N 440.544 5.230 30 10 IKEE Clc1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccco2)cc1Cl 1874466233 DHMLRTUGDQJLGA-FSJBWODESA-N 429.332 6.019 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3ccccc3Cl)nnc2-c2ccco2)c1 1874466857 FTPKUDDCKXXTSU-ZVHZXABRSA-N 438.940 5.765 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(OCC)c(OC)c1 1874476051 BEKRMNICNXTUAL-MFKUBSTISA-N 442.560 5.342 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCc3ccccc3F)nnc2C2CCC2)cc1 1874495686 ZGTCQHNSURRAOQ-WGOQTCKBSA-N 437.588 5.705 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2c[nH]c3ccccc23)cc1C 1874510501 QQFUGZZSACYGEN-LGJNPRDNSA-N 446.580 5.113 30 10 IKEE CCOc1c(/C=N/n2c(SCc3cc(C)ccc3C)nnc2C(C)C)cccc1OC 1874513708 LXDIQITVFUHYPD-AFUMVMLFSA-N 438.597 5.600 30 10 IKEE CC(C)c1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874514763 JUAOWSSMGMGSKX-LSHDLFTRSA-N 433.896 5.277 30 10 IKEE CC(C)c1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccccc1C(=O)O 1874515184 QJEDKAUNNBDMJG-AUEPDCJTSA-N 449.363 5.581 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(C)cc1C 1874578681 BGKVSGKKMPKNBW-JLHYYAGUSA-N 447.962 6.433 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1F 1874582409 MTYCXPVQHNAFIB-OUKQBFOZSA-N 446.905 7.116 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2cc(C)ccc2C)c(C)c1C 1874586671 YSDVVZOTXWNLRX-DHZHZOJOSA-N 434.963 7.057 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c([N+](=O)[O-])c2)cc1 1874605220 TVVMKEUAQSUUAV-UKTHLTGXSA-N 444.487 5.379 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OCc3c(F)cccc3Cl)c(OC)c2)c1 1874606097 VTAQKZYXZBWEQS-PKNBQFBNSA-N 426.871 5.971 30 10 IKEE C=C(C)COc1c(OCC)cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 1874606312 HURYJYBXYSNQCX-VMPITWQZSA-N 436.291 6.151 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Cl)c1OCc1ccccc1Cl 1874612149 FJKGIKTVRJTDEM-MDZDMXLPSA-N 447.745 7.131 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OCC(=O)NCc1ccccc1 1874613908 TVDNRABPLOWGPG-FOCLMDBBSA-N 441.527 5.015 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 1874616738 PWRKFWOFGBJKAP-MKMNVTDBSA-N 441.354 7.257 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OCCC)cc2)cc(OC)c1OCc1ccccc1 1874617048 HRAHVHBWFYMCPD-SFQUDFHCSA-N 442.555 6.688 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)c1OCC(=O)OCC(C)C 1874617426 ANMLJWGPWJUPSU-CSKARUKUSA-N 444.955 5.830 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1cccc(Cl)c1 1874622811 WMCARZIBXRSNLA-OQLLNIDSSA-N 448.990 7.511 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc([N+](=O)[O-])c1OCc1ccccc1C 1874633328 XCJRJDAWDQLSGL-ACCUITESSA-N 445.515 6.394 30 10 IKEE Cc1cc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc4ccccc4c3)c2)ccc1[N+](=O)[O-] 1874693845 YYLAIXCZTRMIOR-NTEUORMPSA-N 437.451 6.172 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1OC 1874693880 ATKGEHDBHQBIPJ-OQLLNIDSSA-N 444.527 6.117 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2)c1 1874703539 UTPALAHQQSVOLP-DHZHZOJOSA-N 435.863 5.980 30 10 IKEE COCC(=O)Oc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)c(Br)cc1OC 1874708156 OYPDBSVZBUUOOY-MDZDMXLPSA-N 447.325 5.029 30 10 IKEE CCCCCCCCC(=O)Oc1cccc(/C=C/C(=O)c2cc(Cl)ccc2OC)c1 1874718231 KVQNICLBFIAWQG-FYWRMAATSA-N 428.956 6.901 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)CC(C)C)c(OC)c2)cc1OC 1875099048 QOFUJJYAQNMZGP-SOFGYWHQSA-N 432.900 5.213 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OCC)cc2)cc1Cl 1875130041 GUPPLHYBUQWCKW-GZTJUZNOSA-N 442.983 7.291 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)COc1c(C)cccc1C 1875140112 QEKPFBMGVBMYMZ-ACCUITESSA-N 444.527 5.809 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(F)c3)c(Cl)c2)cc1 1875148168 DPMSDXVRJRPPLU-NTUHNPAUSA-N 436.910 6.892 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccccn1 1875149357 MDIKCTOVLJCUTJ-OQLLNIDSSA-N 429.516 5.893 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1OC 1875156052 INEOFASRUIJMBU-HTXNQAPBSA-N 444.571 7.401 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3[N+](=O)[O-])cc2)cc1 1875156135 LOCAIDZVIWJIRX-CXUHLZMHSA-N 429.472 5.762 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccncc3)c(Br)c2)cc1C 1875175394 NGYVSVXAPGCLED-QPJJXVBHSA-N 436.305 5.576 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)[C@@H](C)c2ccccc2)cc1 1875182032 JBNQDWFOSBGGGI-BJRSVTDJSA-N 434.919 6.262 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)C3CCC3)c(Br)c2)c(C)c1 1875183380 XOYOTAWYPFWHAD-VQHVLOKHSA-N 427.338 5.976 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)Cc1cc(C)ccc1C 1875184640 JLLVRFJCEATFHP-PKNBQFBNSA-N 442.555 6.282 30 10 IKEE C#C[C@H](C)[C@H](NCCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875673396 VMJYOEMQDSJHJY-ZRKWFTTGSA-N 443.587 5.516 30 10 IKEE C=CCCCCC[C@@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 1947487532 JIJKDDYOKTWOTF-BJKOFHAPSA-N 432.649 5.991 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)C1=CCC=CC1 1949775674 YCEQKDCFQSDSTR-BJKOFHAPSA-N 426.601 5.297 30 10 IKEE C=CCN(C(=O)OC(C)(C)C)[C@@]1(CN)CN(Cc2ccccc2)C2(CCCCCC2)C1 1950499698 OAADCZAAZMVOGT-SANMLTNESA-N 427.633 5.106 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@]1(C(C)(C)C)CCN(C(=O)OC(C)(C)C)C1 2008767637 KAOXQYAVOPURMB-GJZUVCINSA-N 430.633 5.411 30 10 IKEE Cc1nc(S[C@@H](C)C(=O)C=C2N(C)c3ccccc3C2(C)C)n(C[C@H]2CCCO2)c1C 2040489801 HFMWTEOTWVTYJJ-RBUKOAKNSA-N 439.625 5.040 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)C1(C#N)C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 2040984672 CSWQZNPQCRJTGB-OALUTQOASA-N 441.572 5.276 30 10 IKEE CC1CC(=Cc2ccc(Cl)cc2Cl)C(=O)C(=Cc2ccc(Cl)cc2Cl)C1 2041043368 CDBOJGPJMRWNAJ-UHFFFAOYSA-N 426.170 7.766 30 10 IKEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2045241768 ULEVNZGZNRWZDM-MZNJEOGPSA-N 447.551 5.497 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)c(Br)c1)NC 2047971550 UXONSTFNLNSGKR-DLBZAZTESA-N 431.802 5.093 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)[C@@H]2CCCC[C@@H]21 2058928104 DNYLETRAZWXCLV-RNHFSVANSA-N 441.572 5.500 30 10 IKEE CCc1nn([C@H](c2ccc(C3CC3)cc2)C2CCC2)c(I)c1C#N 2079004366 QIPSBVLBIJJJQC-IBGZPJMESA-N 431.321 5.189 30 10 IKEE Cc1nn([C@@H](c2ccc(C(F)(F)F)c(F)c2)C(C)(C)C)c(Br)c1C=NO 2079951807 YLUSVUAOUKYJIN-AWEZNQCLSA-N 436.247 5.556 30 10 IKEE CC(C)Oc1ccc([C@@H](n2nc(C(F)F)c(C#N)c2Br)C(C)(C)C)cc1 2080068811 HZJZRGZJNYORJX-MRXNPFEDSA-N 426.305 5.878 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CC[C@H](P(C)(C)=O)C1 2104501439 UMNNQRNCMBYQAQ-QFBILLFUSA-N 441.306 5.628 30 10 IKEE CN1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Br)CC12CCCC2 2156880335 RKQPRDNQDSUFHD-NRFANRHFSA-N 434.378 5.101 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@@H]2Nc2cc(Br)c(C#N)cc2F)C1 2162323554 ONWHCWANYIGHRJ-FXAWDEMLSA-N 438.341 5.051 30 10 IKEE CN(Cc1cccc(CNc2ccc(C#N)cc2Br)c1)C(=O)OC(C)(C)C 2162328115 LTGRGFPXWGWBEP-UHFFFAOYSA-N 430.346 5.300 30 10 IKEE CCCCCCCCCC[C@H](N)c1sc(Br)c(C)c1Br 2164492126 KFKDVTLQLIRZRE-ZDUSSCGKSA-N 425.274 7.112 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1cc(Br)cc(C(F)(F)F)c1 2172411349 CQJVDDLSFSVRDQ-HXUWFJFHSA-N 442.319 6.282 30 10 IKEE COc1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)ccc1Br 2192140499 TYPJCMKIIOPNBT-QGZVFWFLSA-N 435.293 5.603 30 10 IKEE CCCCC#CC[C@@H](NCCC)c1ccc(I)c(Br)c1 2203811612 YBUVABZKORFGOQ-QGZVFWFLSA-N 448.186 5.678 30 10 IKEE C=CCC[C@@](C)(CO)N(Cc1ccccc1)C(=O)OCC1c2ccccc2-c2ccccc21 2208921790 SFVZSPLEZYOSIL-LJAQVGFWSA-N 441.571 6.155 30 10 IKEE CCCCCCC[C@@](C)(CO)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2227105901 PWLRODNVKGTLMT-NRFANRHFSA-N 428.411 6.302 30 10 IKEE CCCCCCC[C@](C)(CO)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2227105903 PWLRODNVKGTLMT-OAQYLSRUSA-N 428.411 6.302 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)[C@@H](C[C@H](C)CC)NC(=O)OC(C)(C)C 2235727226 KBDYIERRHHZDPS-NSISKUIASA-N 437.422 5.108 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2cc(Br)cc(C#N)c2)C[C@@H]2CCCC[C@@H]21 2240974669 ZHJJUCCFEJQHMQ-SNRMKQJTSA-N 434.378 5.301 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@H](C#N)c1sc(Cl)cc1Br 2250686688 DHNHAKUGQATNAB-CYBMUJFWSA-N 433.799 6.298 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1cc(Br)cc(C(C)(C)C)c1 2273001064 MBOQFTUYCKAOJC-ROUUACIJSA-N 425.411 5.477 30 10 IKEE C=C(C)CCCC[C@H](NCC)[C@@H](O)c1cc(Br)c(Br)s1 2287388368 RGFCSQQXHOXVGO-GXTWGEPZSA-N 425.230 5.421 30 10 IKEE CCN[C@H](CC#CC1CCCC1)c1cc(I)ccc1Br 2289873213 BHRXFDDGRFAXHS-QGZVFWFLSA-N 446.170 5.288 30 10 IKEE CC1(C)CCC(C)(C)[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Br)C1 2290244127 VXMGJKKLNUWFNH-JOCHJYFZSA-N 435.406 6.689 30 10 IKEE CC1(C)CCC(C)(C)[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Br)C1 2290244128 VXMGJKKLNUWFNH-QFIPXVFZSA-N 435.406 6.689 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)c1cc(C)cc(Br)c1F 2292203717 OSCQOJOXWQSGFI-OAQYLSRUSA-N 437.305 5.202 30 10 IKEE C=C1C(=CC=C2CCC[C@]3(C)C([C@@H](C)CC=CC(O)(CC)CC)=CC[C@@H]23)C[C@@H](O)C[C@@H]1O 2294931029 XDBOQJCMEXOPMU-UHVPJMMYSA-N 440.668 6.181 30 10 IKEE CCCCCCCN1C(=O)C(=C2SC(=S)N(c3ccccc3)C2=O)c2ccccc21 2296740193 KLFQIPUMZRQHOB-UHFFFAOYSA-N 436.602 5.780 30 10 IKEE CN1C(=C2SC(=Nc3ccc(O)cc3)N(c3ccccc3)C2=O)Sc2ccccc21 2297321639 FJBYRSYQUVIOPF-UHFFFAOYSA-N 431.542 5.571 30 10 IKEE C=CCN1C(=O)C(=C2Sc3ccccc3N2CC)SC1=Nc1ccc2ccccc2c1 2297707707 BOAKFOHGWYGPSQ-UHFFFAOYSA-N 443.597 6.390 30 10 IKEE CC(C)(C)OC(=O)NC1([C@H](C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)CCCCC1 2302436463 AIJMBSWNQGYFBN-INIZCTEOSA-N 436.557 5.044 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccccc2Br)c1)c1ccc(Cl)cc1 2314429954 SIJWAQUPSWNNME-UHFFFAOYSA-N 441.708 6.218 30 10 IKEE O=C1NC(=NN=Cc2ccco2)SC1=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 2314480508 CRDCGMBGLIAIAQ-UHFFFAOYSA-N 432.288 5.440 30 10 IKEE CCCCOc1ccc(C=C2SC(=Nc3nc(C)cs3)N(CC)C2=O)cc1OC 2314543476 FFGGVRDYENMPQT-UHFFFAOYSA-N 431.583 5.263 30 10 IKEE CCCCOc1ccc(C=CC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1OCC 2314807870 FOLACHGPQQOLLQ-KRWDZBQOSA-N 438.593 5.974 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N(Cc2ccccc2)[C@@H](C)c2cccs2)n1 2315398995 LQHDTUBHBLLZAR-IBGZPJMESA-N 434.414 5.519 30 10 IKEE Cc1cc(OCc2ccc(F)cc2)cc2c1C(=O)C(=Cc1ccccc1Br)O2 2321799333 SYHQFIBATZOOEM-UHFFFAOYSA-N 439.280 6.092 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccccc1Cl)O3)CN(CCc1cccs1)CO2 2322194705 NCTIKEMJFHTMRP-UHFFFAOYSA-N 437.948 5.721 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(Cl)cc1)O3)CN(CCCc1ccccc1)CO2 2322214483 BARBMFUDBYQJCC-UHFFFAOYSA-N 445.946 6.049 30 10 IKEE O=C1C(=Cc2cccc(Cl)c2)Oc2c1ccc1c2CN(CCCCc2ccccc2)CO1 2322252152 WFQUAEPFCGJMBD-UHFFFAOYSA-N 445.946 6.131 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)c1OCc1ccccc1F 2322307591 LBCXLXBVEMAPJS-UHFFFAOYSA-N 438.498 6.976 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1cccc(Cl)c1)C3=O)CN(CCCOC(C)C)CO2 2322333405 WLCMBFDGZUQKFC-UHFFFAOYSA-N 427.928 5.232 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1cccc(F)c1)C3=O)CN(Cc1cccc(Cl)c1)CO2 2322426716 GMMLRZUSDJOEQL-UHFFFAOYSA-N 435.882 5.756 30 10 IKEE Cc1ccc(COc2ccc(Br)cc2C=CC(=O)c2ccc(Cl)cc2)cc1 2322528375 MMNKRNBAENTANS-UHFFFAOYSA-N 441.752 6.886 30 10 IKEE Cn1cc(C=C2Oc3cc(OC(=O)c4cccc(Cl)c4)ccc3C2=O)c2ccccc21 2322907737 KKUCWQKIYNLTGZ-UHFFFAOYSA-N 429.859 5.667 30 10 IKEE COc1cc(C=NNc2ccc(C(=O)O)cn2)ccc1OCc1c(Cl)cccc1Cl 2322941978 KYHGTHAQHBRTEY-UHFFFAOYSA-N 446.290 5.120 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1 2323022205 RXYCNHWYYCKWNU-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OCc1nc(O)c2ccccc2n1 2323138780 STFVFJVONXOTBP-UHFFFAOYSA-N 440.499 5.436 30 10 IKEE Cc1c(OC(=O)c2cccc(F)c2)ccc2c1OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2323299902 IHZKDFSANKXILA-UHFFFAOYSA-N 430.475 6.267 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OCc1ccc(C)cc1 2323421362 AAQCNWDQXZFDHG-UHFFFAOYSA-N 442.555 6.366 30 10 IKEE CCOc1cc(C=Nn2c(C)nnc2S)ccc1OCc1ccc(Cl)c(Cl)c1 2323461367 CHSHGYMUEWNPEK-UHFFFAOYSA-N 437.352 5.042 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(CC)cc2)cc(OC)c1OCc1ccc(C)cc1 2323485333 RSSGCFGHQNZEAT-UHFFFAOYSA-N 426.556 6.770 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)cc1 2323791593 DLLVYBNAGKZPFF-UHFFFAOYSA-N 445.427 5.137 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 2323959481 QCLJEGXUEQKCCJ-UHFFFAOYSA-N 445.515 6.394 30 10 IKEE Cc1cc(O)c(CN2CCC(C)CC2)c2c1C(=O)C(=Cc1cccc(Br)c1)O2 2324152023 USKRFNIZGOHJSS-UHFFFAOYSA-N 442.353 5.311 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(Br)c1OCCO 2324171840 SQYGALHLNVHBEI-UHFFFAOYSA-N 433.342 5.238 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)cc(OC)c1OCC(=C)C 2324331652 BXSAAUSRHBDECZ-UHFFFAOYSA-N 447.358 6.590 30 10 IKEE COc1cccc(-c2csc([C@H](C#N)C(=O)C(=Cc3ccccc3)c3ccccc3)n2)c1 2324383483 PAOQNEPKXQIUFS-XMMPIXPASA-N 436.536 6.236 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)ccc1OCc1cccc(C)c1 2324522150 UOJFWGNGDFBURJ-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCCCOc4cccc(C)c4)cc(C)c3C2=O)cc1 2324567815 KYRMLQLPVNKDOO-UHFFFAOYSA-N 444.527 6.166 30 10 IKEE Cc1cc(OCCOc2cccc3ccccc23)cc2c1C(=O)C(=CC=Cc1ccccc1)O2 2324696944 UTTGKCVIEAZKKJ-UHFFFAOYSA-N 448.518 6.778 30 10 IKEE COc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccc(C)cc3Cl)ccc2C1=O 2325292322 MIADHMYJKDVPAS-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE CCOc1cccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2)c1 2325489343 ORVXVGZXQLFZNA-UHFFFAOYSA-N 428.561 5.442 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1N=Cc1ccc(OC(C)C)c(OC)c1 2325514036 QGTTVSVCCQYIKO-UHFFFAOYSA-N 438.597 5.591 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1cccc(OCC)c1 2325532089 DIQVQYMNKNJHAH-UHFFFAOYSA-N 444.604 6.347 30 10 IKEE O=C(C=Cc1ccccc1Br)C(=O)Nc1ccc(OCc2ccccc2)cc1 2325603868 BXSKRCCLWZENKZ-UHFFFAOYSA-N 436.305 5.249 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)CC(C)(C)C)c2)cc1OCCC 2325727044 GECCMOQRPKAKLT-UHFFFAOYSA-N 438.564 6.502 30 10 IKEE Cc1cc(C)c(NC(=O)COc2ccc3c(c2)OC(=Cc2cccc(F)c2)C3=O)c(C)c1 2325736650 IJAGMQZRYFKUQB-UHFFFAOYSA-N 431.463 5.385 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)CCOc3ccccc3)c2)cc1 2325739548 RRZFOCSTTAPRKX-UHFFFAOYSA-N 430.500 5.746 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)CSc2ccccc2)c1 2325783453 JPRUZORYWXJABF-UHFFFAOYSA-N 438.932 5.942 30 10 IKEE CCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1N=Cc1cccc(C)c1 2325817438 WZGXSPWQUUVMFQ-UHFFFAOYSA-N 438.597 5.466 30 10 IKEE Cc1nnc(SCc2ccccc2)n1N=Cc1ccc(OCCCc2ccccc2)cc1 2326211515 IUHCNLMEVMPEPR-UHFFFAOYSA-N 442.588 5.773 30 10 IKEE CCCc1nnc(SCc2ccccc2)n1N=Cc1ccc(OC(C)C)c(OCC)c1 2326220552 QLHWZCCOGHEQME-UHFFFAOYSA-N 438.597 5.591 30 10 IKEE CCOc1c(Cl)cc(C=Nn2c(CC)nnc2SCc2ccc(C)cc2)cc1OC 2326296263 LVYWBUPLYLIXAE-UHFFFAOYSA-N 444.988 5.384 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1ccccc1C 2326331731 LGMHVJSIBIJBDZ-UHFFFAOYSA-N 434.609 5.711 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc(CC)cc1 2326596914 KVGPAYXXKTXGES-UHFFFAOYSA-N 440.616 6.329 30 10 IKEE C=C(C)CSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1ccc(CC)cc1 2327000988 BSTAROPREYTWEJ-UHFFFAOYSA-N 434.609 5.711 30 10 IKEE Fc1cccc(CSc2nnc(Cc3cccc4ccccc34)n2N=Cc2ccco2)c1 2327730239 UIVRNJJZEKAUAP-UHFFFAOYSA-N 442.519 5.929 30 10 IKEE CCCSc1nnc(CCc2ccccc2Cl)n1N=Cc1cc(OC)ccc1OC 2327976789 JXMGNHFZBYRPKT-UHFFFAOYSA-N 444.988 5.118 30 10 IKEE C(=Nn1c(CCc2cccs2)nnc1SCc1cccc2ccccc12)c1ccc[nH]1 2329674532 RPGQVIQQMYEXFE-UHFFFAOYSA-N 443.601 5.781 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2)n1N=Cc1cccc([N+](=O)[O-])c1 2330104807 AGSUJHHDNRBPAP-GOSISDBHSA-N 443.532 5.513 30 10 IKEE Clc1cccc(CSc2nnc(CC3CCCCC3)n2N=Cc2ccccn2)c1 2330288386 GMJLIKLRENLTAE-UHFFFAOYSA-N 425.989 5.624 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccccc3)nnc2-c2cccs2)c(OC)c1 2330582336 ZEHLMBMMYJYTEH-UHFFFAOYSA-N 436.562 5.198 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1OC(=O)C1CC1 2330814548 IGBRCXVDGLCCJZ-UHFFFAOYSA-N 439.722 6.257 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccccc3CC)cc2)cc1 2330825654 HUYQAMNLFUZANT-UHFFFAOYSA-N 442.555 6.472 30 10 IKEE Fc1ccccc1CSc1nnc([C@H]2CCCO2)n1N=Cc1cccc2ccccc12 2330961211 FEUAMUHFODRQHW-JOCHJYFZSA-N 432.524 5.596 30 10 IKEE CCCCC(=O)Oc1c(OC)cc(C=CC(=O)c2cccc(Br)c2)cc1OC 2331001077 UZCCOIPDTGVJNO-UHFFFAOYSA-N 447.325 5.458 30 10 IKEE CSc1nnc(C2CCCC2)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2331016337 TWPDSXPDBWMZNQ-UHFFFAOYSA-N 426.973 5.772 30 10 IKEE Fc1ccccc1C=Nn1c(SCc2ccc(Cl)c(Cl)c2)nnc1C(F)(F)F 2331158002 WBKUOUGGXIFAIZ-UHFFFAOYSA-N 449.260 5.917 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc(Cl)ccc3OC)cc2)cc1 2331189366 MBWNCZWUPIQQCE-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3ccccc3F)nnc2-c2ccco2)cc1 2331208310 OQOQQTBBOVMRNM-UHFFFAOYSA-N 436.512 5.641 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)Cc1ccc(F)cc1 2331343998 IZASFKPYAKKSAV-UHFFFAOYSA-N 436.454 5.716 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3OC)cc2)c1 2331351836 DSJUNDHHGBGGPL-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE COc1ccccc1C=Nn1c(SCc2c(Cl)cccc2Cl)nnc1C(C)(C)C 2331400025 ZBUMDMVMBFTEPS-UHFFFAOYSA-N 449.407 6.066 30 10 IKEE C=CCSc1nnc(C(C)(C)C)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2331400825 ZWKRYTQGEVXTLO-UHFFFAOYSA-N 441.000 5.968 30 10 IKEE CCc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C(C)(C)C)cc1 2331416689 LUYGWDZVQFEAMX-UHFFFAOYSA-N 430.980 6.105 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)Cc1cccs1 2331510491 ORHNTFCOYQKAKP-UHFFFAOYSA-N 430.884 5.593 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1OC(=O)CCCSC 2331532313 FFMWGOLSZJJRIS-UHFFFAOYSA-N 447.484 5.077 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] 2331562259 YQEFMOSPWTUKRS-UHFFFAOYSA-N 441.361 5.056 30 10 IKEE CCC(=O)Oc1c(Br)cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1OC 2331652849 POZCESYLVVXGIO-UHFFFAOYSA-N 445.353 5.903 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1ccc(F)cc1F 2331780336 JRTBPAJHAARVDO-UHFFFAOYSA-N 436.454 6.014 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@H]2CCCO2)c(Cl)c1)c1cc(Cl)ccc1Cl 2331860078 WZODPQNLYYZKRJ-LJQANCHMSA-N 425.695 5.627 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@@H]3C[C@@H](OCc4ccccc4)C[C@@H]32)cc1 2331988800 KHABTUDYKULCHN-ZIFWVBPMSA-N 448.563 5.714 30 10 IKEE CC1(C)OB(c2cc(Cl)cnc2Nc2ccc(Cl)c(Br)c2)OC1(C)C 2339392687 KOBWSHUERWTJFG-UHFFFAOYSA-N 443.965 5.194 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@]2(CCNc3cc(Br)c(C#N)cc3F)CC[C@H]1C2 2363713748 MPZWRSVCSBIUPX-VBKZILBWSA-N 438.341 5.051 30 10 IKEE CC1(C)OB(/C=C/c2ccc(NCc3cccc(OCc4ccccc4)c3)nc2)OC1(C)C 2365102292 AWRCOKIUWPKKSM-FOCLMDBBSA-N 442.368 5.917 30 10 IKEE Cc1cccc2c1N(c1ccc(C#N)cc1Br)CCN2C(=O)OC(C)(C)C 2381012280 OTCVTWUBNHTCEH-UHFFFAOYSA-N 428.330 5.522 30 10 IKEE CCOc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2[nH]nc(-c3ccc(C)cc3)c21 6733091 DDAVMLKZRZNXQT-JOCHJYFZSA-N 427.548 5.984 30 10 IKEE CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1 9779435 FQFPHGIEPQTZQF-SKCUWOTOSA-N 436.555 6.243 30 10 IKEE N#Cc1ccccc1CSc1nnc(COc2ccccc2Cl)n1-c1ccccc1 10539465 QWOZBUSVJRXNER-UHFFFAOYSA-N 432.936 5.664 30 10 IKEE N#Cc1ccc(N2C(=S)C3(CCCCC3)[C@H](N3CCCC3)/C2=N\C2CCCCC2)cc1 15861763 HYJDMDBZIMBCOQ-LCQNATCMSA-N 434.653 5.852 30 10 IKEE CSc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)cc1 20884354 VIWOWKFGXVSVCO-DWXRJYCRSA-N 430.548 6.527 30 10 IKEE Cc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(Cl)c(Cl)c2)C3)cc1[N+](=O)[O-] 21252427 VINQBKVSMJMSBP-CABCVRRESA-N 445.302 5.214 30 10 IKEE Cc1ccc(C[C@H](C#N)Sc2nc3ccccc3c(=O)n2-c2ccc(C)c(F)c2)cc1 25835275 OBEXTEDSLJWPJZ-HXUWFJFHSA-N 429.520 5.369 30 10 IKEE C=CCOC[C@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1 36304873 AZPDFYVQEHWWMB-XMMPIXPASA-N 449.595 5.057 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2cccc(NC(C)=O)c2)cc1 39851019 KHBXUYNOVHDZBE-DTQAZKPQSA-N 437.499 5.402 30 10 IKEE CN1CCc2nc(SCc3ccccc3Cl)c(C#N)c(-c3ccccc3Cl)c2C1 40570043 WUCLJAUJOPHYKU-UHFFFAOYSA-N 440.399 6.207 30 10 IKEE Cc1ccc(CN2COc3c(cc4c(c3C)O/C(=C\c3cccc([N+](=O)[O-])c3)C4=O)C2)cc1 41587241 YRYKQHSFQIQYMN-KSEXSDGBSA-N 442.471 5.180 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccccc1F)O3)CN(CCCc1ccccc1)CO2 41644830 ARKLFYVXBVXGBA-IWIPYMOSSA-N 429.491 5.535 30 10 IKEE O=C1/C(=C\c2cccc(Br)c2)CS/C1=C/c1cccc(Br)c1 96448744 SRRKCHWZJUBXCB-QBKKPGQMSA-N 436.168 5.952 30 10 IKEE CCCCCCCCCCCCCCCCNC(=S)NC(=O)/C=C/C(=O)OCC 100067714 DFVJCVMLEOEODS-VHEBQXMUSA-N 426.667 5.578 30 10 IKEE CCCCCCCOc1ccc(NC(=O)c2ccc(OCCCCCCC)cc2)cc1 100155523 DGVHVZZNGBDRGZ-UHFFFAOYSA-N 425.613 7.637 30 10 IKEE CCCCCCCCCCCn1c(CCNC(=O)c2ccc(F)cc2)nc2ccccc21 102140307 PGHXPBCRCZRKOI-UHFFFAOYSA-N 437.603 6.679 30 10 IKEE COc1ccc(OC)c(-c2cs/c(=N/C3CCCCC3)n2/N=C/c2ccc(C#N)cc2)c1 103462080 IOHJFCRXWIJIJB-REUZPSCBSA-N 446.576 5.221 30 10 IKEE C=CCSc1ccccc1N[C@H]1CCCc2sc(I)cc21 127952727 WIXLMRQAQRQYKF-ZDUSSCGKSA-N 427.376 6.120 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccccc2C)c1 169936984 MFYMSNGJOWDNSV-DEOSSOPVSA-N 439.467 5.533 30 10 IKEE COc1cccc(/C=N\Nc2nc(-c3ccc(C)cc3)cs2)c1OCc1cccc(C)c1 169940822 UJZXTCGYTLYDGX-DICXZTSXSA-N 443.572 6.461 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3ccccc3)c(C)s2)cc([N+](=O)[O-])c1OCC 169943284 MYIKQIMECHECTC-XKZIYDEJSA-N 426.498 5.270 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2cccc(C)c2)c(C)c1 169969630 PTWXALUVZOZOCH-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2cc(C)ccc2O)c1 169970862 OHNCHKUYQMTQKR-XMMPIXPASA-N 427.500 5.409 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2cccs2)c(C)c1 169987683 GKLFXXDHJKMUCF-HXUWFJFHSA-N 441.455 5.126 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccnc2)cc1Cl 170008892 HKCOCWOGFINFDR-JOCHJYFZSA-N 444.874 5.573 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccccc2)s1 170049120 BJWAJFNMLCCDNJ-OAQYLSRUSA-N 432.545 5.666 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2Cc2ccccn2)c1 170144388 QMBUKQJSJMNICG-RUZDIDTESA-N 434.495 5.322 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2cccnc2)cc1C 170185347 LOOCDWCYGNTRHW-DEOSSOPVSA-N 442.515 5.188 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1cccnc1 170188808 QAGCUEFOZBKSDX-NRFANRHFSA-N 448.906 5.143 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1ccc(O)c(Cl)c1 170219741 JLENYTNSRRJTOL-NRFANRHFSA-N 443.927 5.213 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1cccc(O)c1 170263555 YNQKWXDUVNBVHK-QHCPKHFHSA-N 435.564 5.767 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)c(Cl)c2)[C@H]1c1ccc(CC)cc1 170267922 JRLGKUSMPHNTLD-LJQANCHMSA-N 448.346 5.553 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C(C)(C)C)ccc3C)[C@H]2c2ccco2)c1 170278832 IDFYPBNFDQSPLP-HSZRJFAPSA-N 445.515 5.677 30 10 IKEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccco2)cc1 170279480 VFCHMQQFAQTXHL-DEOSSOPVSA-N 438.483 5.282 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccco2)cc1C 170286120 SOKUDGURDJBVOT-QHCPKHFHSA-N 431.488 5.305 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccc(C)o2)c(C)c1 170304795 KWKLGJCYELVWRJ-VWLOTQADSA-N 441.527 5.867 30 10 IKEE CCCOC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)c1 170372965 GFWGVJLFWPQIOC-QHCPKHFHSA-N 441.483 5.036 30 10 IKEE C[C@@H](/N=C(O)/C=C\c1ccc(NS(C)(=O)=O)cc1)C(c1ccccc1)c1ccccc1 206694620 CLVHEZDWHGBZPG-NZCCEVMUSA-N 434.561 5.248 30 10 IKEE O=C(Nc1cc(Br)cc(C(F)(F)F)c1)c1ccc(F)c(C(F)(F)F)c1 393087217 IFGRPNIRHWNHPN-UHFFFAOYSA-N 430.117 5.878 30 10 IKEE CC1(C)OB(c2cc(F)ccc2COc2cccc(OCc3ccccc3)c2)OC1(C)C 399144947 DCUYKKPPIBOIAO-UHFFFAOYSA-N 434.316 5.283 30 10 IKEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(Cl)cccc1Br 407517382 MNCHJFDUSSQJKT-WBVHZDCISA-N 429.786 5.060 30 10 IKEE CCCCOc1cccc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2cccc(C#N)c2)c1 526518026 WJQLTTOVVKHPSB-HSZRJFAPSA-N 430.529 5.856 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1ccc(OC)c([N+](=O)[O-])c1 526806189 ZHKCRIMAEKPTRI-UCQKPKSFSA-N 439.541 5.020 30 10 IKEE CCOc1cc(/C=N\n2c(C)nnc2SCc2cccc(F)c2)cc(Cl)c1OCC 526825066 IDXHLSMICZCOLE-MSXFZWOLSA-N 448.951 5.351 30 10 IKEE Cc1cccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2cccc(F)c2)c1 526826310 ZBSXZVLEZJHOEZ-PKAZHMFMSA-N 430.552 5.685 30 10 IKEE CC(C)Oc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)[C@H](C)c2ccccc2)cc1 586148993 CFFXYZQZKQXPBY-HXUWFJFHSA-N 434.561 5.298 30 10 IKEE CN(C)c1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 586251020 DSNFYJKMUZOSIH-UHFFFAOYSA-N 447.604 5.317 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(Br)c2c(c1)OCCCO2 698470713 VEBUTECPXGOXBW-BBRMVZONSA-N 439.350 5.211 30 10 IKEE CC(C)(C)OC(=O)N(C[C@H]1CCCO1)[C@@H](C#N)c1ccc(Br)c(Cl)c1 698471448 MCCADCSBZPUDSG-CJNGLKHVSA-N 429.742 5.083 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCCC12CCCCC2 698495206 BXFDNKBLBXFXGX-JOCHJYFZSA-N 433.390 6.587 30 10 IKEE COc1ccc(C=Nc2nc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)s2)cc1 1084112290 QWKZEJALTPAVPC-UHFFFAOYSA-N 430.529 6.254 30 10 IKEE CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)O/C(C(=O)c1ccccc1)=C(\O)c1ccccc1 1615217119 RRTJCTUJMZJJJD-UAYHFDEJSA-N 431.315 5.931 30 10 IKEE O=C1CCCC/C1=C1\SC(=N\c2ccccc2)/C(=N/c2ccccc2)N1c1ccccc1 1616062291 UQFVZTVHLXGIEC-NPAIHFBQSA-N 437.568 7.055 30 10 IKEE C=CC1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(OCc3ccccn3)cc2)CC1 1749323763 LGTPUIZNVJEMTK-UHFFFAOYSA-N 431.584 5.000 30 10 IKEE COc1ccc(C(=O)ON=C2C[C@@]3(C(=O)Nc4ccc(C)cc4)CC[C@@]2(C)C3(C)C)cc1 1772722861 YXERRVZKEUALHB-CLJLJLNGSA-N 434.536 5.372 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=Nc1cccnc1 1772730493 CYJDAFVCRCONCJ-ZRQPATBQSA-N 432.461 5.040 30 10 IKEE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNc2ccc(F)cc2)CCC3)cc(C)c1Cl 1772751225 XPDMMFHNQBCQOR-UHFFFAOYSA-N 440.902 6.369 30 10 IKEE CCCCCCn1c2ccccc2c2nnc(NN=Cc3ccccc3OCCC)nc21 1772765317 MQWOODPUFVTRKY-UHFFFAOYSA-N 430.556 5.795 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCSC)NC(=O)c1ccc(Cl)s1 1861745137 MPVOJNONVIVICN-INIZCTEOSA-N 433.083 5.510 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 1862393823 DQDISKBNQWAVOM-HXUWFJFHSA-N 432.347 5.934 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1cccc(Cl)c1)c1ccccc1Cl 1862433189 XCPVQSPZOZFOLW-OAQYLSRUSA-N 438.310 5.772 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(OCCCC)cc1 1862463810 XRUABGXVWLNQDX-NRFANRHFSA-N 445.437 5.047 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCc2ccccc2)c1 1862476432 LDSHEMFOCNKQTN-RUZDIDTESA-N 441.527 5.215 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc2c(c1)CCCN2C 1862482483 OEIXKRKMXGBDOU-VWLOTQADSA-N 446.591 5.536 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cc(Br)ccc1F 1862484276 LDETYXGOJGDJMG-BFUOFWGJSA-N 446.316 5.273 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(C(C)(C)C)cc2)ccc1F 1862505055 JFJOWWWNHUFRSK-QHCPKHFHSA-N 435.539 5.953 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(Cl)c1 1862583618 GGOAJHOLPPETHK-ADLMAVQZSA-N 438.738 6.024 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccccc1Cl 1862594347 CMLPMXJGFZXABI-QRQCRPRQSA-N 433.891 5.385 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2ccc(F)cc2F)c1 1862596470 UFLCEIJQOCKBMB-HSZRJFAPSA-N 449.453 5.066 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(C(C)C)cc1 1862617628 YHIZDKNLDJQJFO-MHECFPHRSA-N 433.592 6.484 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccc(F)cc2)cc1F 1862638957 NRPUFBYMHWMVPD-WNSKOXEYSA-N 449.453 5.313 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@H]1c1ccccc1)c1cccc2ccccc12 1862648521 DFWAJLKTNFSSHB-VWLOTQADSA-N 437.470 5.757 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 1862665172 AISCJURMEXSGRV-JOCHJYFZSA-N 434.492 5.239 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(O)cc1 1862673007 AMCDYLGRSCCJMM-KNQAVFIVSA-N 425.500 5.469 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccc(OC)cc2)cc1 1862689183 KGRHHENXFFZPCW-MZNJEOGPSA-N 443.499 5.043 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)cc1 1862694346 HKVHUYISCOJZHU-OZWPHOJSSA-N 449.547 5.251 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccccc2F)c1 1862703284 SRVLZCIWZLAPQP-HSZRJFAPSA-N 435.495 5.303 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccccc3C#N)C(=O)N(c3cccc4c3CCCC4)C2=O)c1 1863036633 YCGKELKZGUDGCI-UHFFFAOYSA-N 447.538 5.451 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)c(F)c2F)=C(c2ccccc2F)C1=O 1863306173 UDVHPRTWOWMYIL-UHFFFAOYSA-N 448.460 5.796 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(N(C)C)cc2)=C(c2cccs2)C1=O 1863472766 ITPQLFIBUGCDGW-UHFFFAOYSA-N 425.598 5.367 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2[N+](=O)[O-])C(=O)N(CCCCC)C1=O 1863592468 KOPVFCDAHJFSHS-UHFFFAOYSA-N 443.588 5.595 30 10 IKEE CCCCCCCCn1cc(C(=O)NC2CCCCCCCCCCC2)c(O)cc1=O 1870114843 GUSHEPXYMCBOSB-UHFFFAOYSA-N 432.649 6.318 30 10 IKEE C=CCOc1cn(CCN(CC)CC)c(CNc2ccc(Oc3ccccc3)cc2)cc1=O 1870810980 BDUSZPFOOZWKLZ-UHFFFAOYSA-N 447.579 5.159 30 10 IKEE C=CCOc1cn(Cc2ccc(C)cc2)c(CNc2ccc(N(CC)CC)cc2C)cc1=O 1870813779 BXSWKLBOYCISBE-UHFFFAOYSA-N 445.607 5.537 30 10 IKEE C#CCOc1cn(Cc2cccc(C)c2)c(CNc2cc(Cl)cc(Cl)c2)cc1=O 1871004772 WRWPOYCJGLGMFT-UHFFFAOYSA-N 427.331 5.136 30 10 IKEE C=CCn1cc(OCc2c(Cl)cccc2Cl)c(=O)cc1CNc1ccc(Cl)cc1 1871049668 MQEWOJPSRGLTEV-UHFFFAOYSA-N 449.765 6.186 30 10 IKEE Cc1cccc(CN2COc3ccc4c(c3C2)O/C(=C\c2cn(C)c3ccccc23)C4=O)c1 1871348159 VIZSGNKXIQADRY-ZMFRSBBQSA-N 436.511 5.455 30 10 IKEE CCCCCCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(C(=O)OC)cc1)C3=O 1871349360 PYFNYBCODRWZCE-JLPGSUDCSA-N 449.547 5.602 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(Cl)c(Cl)c1)O3)CN(CCCCCO)CO2 1871352258 XGKJHVKRLVQAEF-JAIQZWGSSA-N 448.346 5.233 30 10 IKEE Cc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1[N+](=O)[O-] 1871374711 BFVMVMMCUGYJRL-NHDPSOOVSA-N 433.391 5.186 30 10 IKEE O=C1/C(=C/c2ccco2)Oc2cc(OC(=O)c3c(Cl)ccc(Cl)c3Cl)ccc21 1871383147 LRCNOEBDPOAXQR-PXNMLYILSA-N 435.646 6.075 30 10 IKEE C[C@@H]1C[C@@H](C)CN(Cc2c(O)ccc3c2O/C(=C\c2cccc(Br)c2)C3=O)C1 1871396754 UTYMRLOQCFREDN-KEBOPYBWSA-N 442.353 5.249 30 10 IKEE Cc1c(OCCCc2ccccc2)ccc2c1O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 1871399514 METVJNRGZUOFHR-XHPQRKPJSA-N 426.556 6.920 30 10 IKEE CCOc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2)C3=O)cc1 1871405295 CORMOZFMLWXHPW-BEXDPUPVSA-N 443.499 5.416 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCCOc4ccc(C)cc4)cc(C)c3C2=O)c1OC 1871405910 LVBCMJNECDFAFN-IWIPYMOSSA-N 446.499 5.395 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OCC(=O)N[C@@H](C)c3ccccc3)cc(C)c2C1=O 1871422367 XRSILMHYOIJHBV-QCYAWUEASA-N 427.500 5.176 30 10 IKEE Cc1c(OCC(=O)N[C@H](C)c2ccccc2)ccc2c1O/C(=C\c1cccc(F)c1)C2=O 1871424495 LHUSDDFVBLSAAP-NQRZERFFSA-N 431.463 5.007 30 10 IKEE CN(C)c1ccc(/C=C2\Oc3cc(OC(c4ccccc4)c4ccccc4)ccc3C2=O)cc1 1871431405 XWCJHBSSTFKDBJ-USHMODERSA-N 447.534 6.537 30 10 IKEE CC(C)c1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871435684 XZZBRIWSXCUQNX-CFRMEGHHSA-N 447.918 6.097 30 10 IKEE Cc1cccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)c1 1871456288 XAMKHOZNDIBQML-UUYOSTAYSA-N 433.891 5.591 30 10 IKEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1871834662 CIGBGMGQWKECCM-DEOSSOPVSA-N 442.625 5.411 30 10 IKEE C=CCN([C@H](CC)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1872019684 YVFLUBNYIPVMDS-HSZRJFAPSA-N 442.625 5.195 30 10 IKEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(Cc2ccccc2)cc1)S(=O)(=O)CCCC 1872284839 DTTVOGZGJFVFCX-XMMPIXPASA-N 442.625 5.003 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(Cl)c(C)c1)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872296505 NHACMPHQBYUSGS-QFIPXVFZSA-N 449.016 5.105 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(C)cc3)n2)cc1OCCC 1872767699 YIHFYQOIRVFKFO-HXUWFJFHSA-N 434.561 6.186 30 10 IKEE Cc1ccc(C)c(-c2csc([C@H](C#N)C(=O)COc3ccc(C)cc3C(C)(C)C)n2)c1 1872772928 UJNINSJRUHMLII-HXUWFJFHSA-N 432.589 6.288 30 10 IKEE COc1ccc(Cl)cc1C(=O)[C@H](C#N)c1nc(-c2cc(C(C)(C)C)ccc2C)cs1 1872785476 NXDLJORDFCTAEJ-IBGZPJMESA-N 438.980 6.568 30 10 IKEE CCCCCCCCNC1=C(c2ccc(-c3ccccc3)cc2)C(=O)N(C2CCCC2)C1=O 1873088833 QRQHQIQINOCMNR-UHFFFAOYSA-N 444.619 6.326 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(CCCC)cc2)cc2c(NCc3cccnc3)ncnc21 1873609064 MYHRGKVGUNMZQR-UHFFFAOYSA-N 440.551 5.219 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(Cc3ccccc3)cc1)n2CCC 1873612538 AEWQHKOOYDGHEY-UHFFFAOYSA-N 425.536 5.282 30 10 IKEE CCCCCCCCNC(=O)[C@@H](C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1C 1873891684 JTDNBIVFLQQVFA-HXUWFJFHSA-N 435.564 6.012 30 10 IKEE CCCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccc(CC)cc1 1874218083 UCKUCCSDKIUYEB-AFUMVMLFSA-N 443.016 6.074 30 10 IKEE C=CCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1c[nH]c2ccccc12 1874256355 WWDPCWBAFDWRGI-VULFUBBASA-N 431.565 5.424 30 10 IKEE Cc1ccc(CSc2nnc(CCOc3ccccc3)n2/N=C/c2ccc(F)cc2)cc1 1874345682 AKYAGCNXPFRABK-WPWMEQJKSA-N 446.551 5.522 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2C)n1/N=C/c1sccc1C 1874360955 GSSROTNFZFKPKK-WGOQTCKBSA-N 446.645 6.225 30 10 IKEE Fc1ccc(CSc2nnc(-c3ccccc3Cl)n2/N=C/c2cccs2)cc1 1874364610 LZHBYCSUDYYPMM-FSJBWODESA-N 428.945 5.974 30 10 IKEE Oc1cccc(/C=N/n2c(CCc3cccs3)nnc2SCc2cccc(F)c2)c1 1874370033 DZZFUUDJIIXDMU-ZVHZXABRSA-N 438.553 5.144 30 10 IKEE CCSc1nnc(CCc2cccs2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874370479 BFOWFMWWMCXNOU-KOEQRZSOSA-N 448.617 5.698 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1cccc(Br)c1 1874379851 PYHPNJHUNUSLFH-FSJBWODESA-N 445.361 5.321 30 10 IKEE Fc1ccccc1/C=N/n1c(CC2CCCCC2)nnc1SCc1cccc(Cl)c1 1874409804 NNAXCCVCKUGPAY-CVKSISIWSA-N 442.991 6.368 30 10 IKEE Clc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2-c2ccccc2)cc1 1874430676 SUISTPJBQDIOHX-AFUMVMLFSA-N 439.371 6.426 30 10 IKEE CCSc1nnc([C@@H]2CCCO2)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874444874 MTPRBHGABSZEBQ-PGLVWIQMSA-N 442.972 5.356 30 10 IKEE CC(C)c1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874515564 FMYRABHIZWQMRZ-OPEKNORGSA-N 438.906 6.248 30 10 IKEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1ccc2ccccc2c1)NCc1ccco1 1874571218 BOZDNPGEHGEHTR-PKNBQFBNSA-N 445.902 5.678 30 10 IKEE COc1cc(Br)cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)c1OCCCO 1874587090 URGPTCNROCBAMP-BQYQJAHWSA-N 447.369 5.349 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OCC(=O)Nc1ccccc1F 1874616251 PTWKKWIFMLWHKK-JLHYYAGUSA-N 449.478 5.065 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cc(Br)c(OCC)c(OC)c2)c1 1874629976 DVQPOFBDFIDWLP-CSKARUKUSA-N 449.341 5.550 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OCC(=O)Nc2ccc(C)c(C)c2)cc1 1874638629 KAIDRIMMYXLQAC-KPKJPENVSA-N 449.934 5.879 30 10 IKEE CCCCC(=O)Oc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)c(Br)cc1OC 1874703822 JAQILDOOIMYHQZ-CSKARUKUSA-N 449.316 5.897 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OC(=O)c3cc4ccccc4n3C)c2)c1 1874706566 OPISSKMQHQSWNY-ACCUITESSA-N 441.483 5.311 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC(=O)Cc2ccc(F)cc2)c1 1874709496 KLOOZZRCZJQDIP-GXDHUFHOSA-N 446.518 6.176 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1OC(=O)Cc1ccccc1 1874710665 HEIUYFOOEYAARV-ZRDIBKRKSA-N 430.500 5.365 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OC(=O)c1ccc(C)c(C)c1 1874716480 UPDJVNPUAVHVSU-DHZHZOJOSA-N 428.528 6.353 30 10 IKEE CN(C)c1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3cc(Cl)ccc3Cl)c2)cc1 1874718893 PHDYKUJBCBTUJN-AWNIVKPZSA-N 440.326 6.175 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3OC)c(Cl)c2)c1 1875102460 ISEVXVFZBIZGGH-ZRDIBKRKSA-N 436.891 5.401 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OC(=O)c1cccc([N+](=O)[O-])c1 1875127753 WKDGIAOFOFCZIG-ZHACJKMWSA-N 437.835 5.372 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2)c1 1875131110 ILIOZPLAEADEGV-MDWZMJQESA-N 430.500 5.365 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)c(C)c3)c(OC)c2)cc1 1875131204 MHDMXUKMKRLDLE-RIYZIHGNSA-N 444.527 5.755 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2Cl)CC1 1875133511 YGHUNXIBELYMHS-MHWRWJLKSA-N 438.995 7.447 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)CCc1ccccc1 1875158589 CXFOQWKKKKZCSG-MHWRWJLKSA-N 444.502 5.997 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Br)c1OC(=O)CC 1875163774 BYIDVFSPSNWIPN-VMPITWQZSA-N 439.252 5.338 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3sccc3C)c(Cl)c2)c(C)c1C 1875167834 OWPCIHOVAIGBHZ-VMPITWQZSA-N 440.948 6.451 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cnccn3)c(Cl)c2)c2ccccc12 1875192426 LEMRJJSGBMDMBC-RMKNXTFCSA-N 444.874 5.407 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1 1875193215 XMDAQHGBMFUPKR-XYOKQWHBSA-N 437.835 5.372 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)CCCSC)c([N+](=O)[O-])c1 1875193419 JGDGQJUENRJPIT-VMPITWQZSA-N 449.912 5.202 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N(CC)CCCC)n2CCC 1875205280 LQSQSGNISBFAHD-UHFFFAOYSA-N 443.680 6.656 30 10 IKEE N#Cc1ccc(NC(=O)N2CCC(c3ccc4cc(-c5ccccc5)cnc4n3)CC2)cc1 1891649850 GUIVRBKDHPDSHH-UHFFFAOYSA-N 433.515 5.580 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CC12CCC(C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)CC2 1912152010 NXOGCKOBYKLCGU-NYYVNYEXSA-N 448.568 5.044 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)C1CC(C)(C)C1 1924301699 YIZBXWFQALRISV-XZOQPEGZSA-N 430.633 5.457 30 10 IKEE CC1(C)CC[C@](C#N)(Nc2ccc(Br)cc2)[C@@H](CNC(=O)OC(C)(C)C)C1 1927168105 ZETHJIGXFJIUCG-QVKFZJNVSA-N 436.394 5.474 30 10 IKEE CCCCCCC[C@H](C)NCCCONC(=O)OCC1c2ccccc2-c2ccccc21 1928767504 KXPCADBIAPXLBM-NRFANRHFSA-N 438.612 6.185 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(Br)ccc1Br 1935891476 VQGNLZIEHTXDEA-XHDPSFHLSA-N 446.183 5.812 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 1943915457 GJWWGBFSLGFFNG-DVECYGJZSA-N 429.561 5.548 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)cn1 1953307735 MIDXEJXGNLXYGS-LJQANCHMSA-N 438.528 5.431 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CC[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C1 2001949392 GBXZDSHUUMTQGV-YBJWPOLQSA-N 435.609 5.484 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CN(C(=O)OC(C)(C)C)C23CCC3)cc1 2015372460 JPFFSXOODOAINX-DEOSSOPVSA-N 427.545 5.172 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@@H](C2CCC2)C1 2018430701 YTLMTPIFNXDVFM-PDOGEWKWSA-N 435.609 5.484 30 10 IKEE CC1(C)CC[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)[C@@H](OCc2ccccc2)C1 2043779275 CDEBADPXLGASNO-GBXCKJPGSA-N 441.576 5.982 30 10 IKEE CCc1nn([C@H](c2ccc(C3CC3)cc2)C2(C)CC2)c(I)c1/C=N/O 2079005722 OSVAPOQWFKEDNG-FNLSEGDXSA-N 449.336 5.125 30 10 IKEE Cc1cc(O)c([C@@H](n2nc(C(F)(F)F)c(C#N)c2Br)C(C)(C)C)cc1C 2080042976 NXWWWNGJFFMSAB-OAHLLOKOSA-N 430.268 5.494 30 10 IKEE Cc1cc(C)c([C@H](C2CCC2)n2nc(C3(C)CC3)c(C=NO)c2Br)c(C)c1 2080052810 DBOWFHIIDQZCDL-IBGZPJMESA-N 430.390 5.820 30 10 IKEE CC(C)Oc1ccc([C@H](C(C)C)n2nc(C3(C)CC3)c(C=NO)c2Br)cc1 2080058203 UTUFNICMZSZCRA-SFHVURJKSA-N 434.378 5.538 30 10 IKEE CC(C)(C)OC(=O)N1CCCCC[C@H]1CNc1cc(Br)c(C#N)cc1F 2105986055 SROIXOHBEIJOQJ-AWEZNQCLSA-N 426.330 5.051 30 10 IKEE CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)Nc1ccc(C#N)c(Br)c1F 2106039157 MWYMSIOUKUULIP-IBGZPJMESA-N 428.346 5.201 30 10 IKEE C=C(Br)CN(C)C(=O)c1ccc(NC(=O)OC(C)(C)C)c(C(F)(F)F)c1 2124402545 ZDPFZKKSBKTAGL-UHFFFAOYSA-N 437.256 5.033 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)C2=CC[C@H](C(C)(C)C)CC2)c1 2181552158 NVNDTQJUFRXDJK-HNNXBMFYSA-N 436.390 6.751 30 10 IKEE C#CC[C@H](C[C@@H](NCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1)C1CC1 2196852352 AOSFBILPMLJYPS-OXQOHEQNSA-N 435.406 5.886 30 10 IKEE CC(C)(C)NCCC#Cc1sc(Br)c(Br)c1Br 2216395670 PPLQNUULFYMIGN-UHFFFAOYSA-N 444.030 5.165 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)[C@@H](CC(C)(C)C)NC(=O)OC(C)(C)C 2235734207 WFKHBJPRBBVZLM-RTBURBONSA-N 437.422 5.108 30 10 IKEE C=C(C)CCCC[C@H](NCC)[C@H](O)c1scc(Br)c1Br 2287393056 VBUOOOWXIJIGCN-JSGCOSHPSA-N 425.230 5.421 30 10 IKEE COC(=O)c1ccc2c(c1)C(=O)C(=Cc1cn(-c3ccccc3)nc1-c1ccc(C)cc1)O2 2296724117 VJUIQCFHUDGWAP-UHFFFAOYSA-N 436.467 5.251 30 10 IKEE COc1ccc(OC)c(C=C2Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc3C2=O)c1 2296867522 VGOSIADERZWOQI-UHFFFAOYSA-N 436.847 5.193 30 10 IKEE CCc1ccc(N=C2SC(=Cc3sccc3C)C(=O)N2c2ccc(CC)cc2)cc1 2296977138 OMVXEYJMJIXGKS-UHFFFAOYSA-N 432.614 6.990 30 10 IKEE COc1ccc(C=C2Oc3c(ccc4c3[C@@H](c3ccc(C(C)C)cc3)CC(=O)O4)C2=O)cc1 2297596320 REPYETNVMPJALL-JOCHJYFZSA-N 440.495 5.876 30 10 IKEE C[C@@H]1[C@@H](C)[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C 2304197091 YSUIECASQJHNMF-QZMQVMSPSA-N 449.617 5.413 30 10 IKEE O=C1C(=Cc2ccc(-c3ccc(I)cc3)o2)Sc2ccccc21 2313532246 AXYQGDOBXFGFEJ-UHFFFAOYSA-N 430.266 5.881 30 10 IKEE CCN1C(=O)C(=Cc2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)SC1=Nc1cccc(C)n1 2314540437 QADGDWNRVMNYNU-UHFFFAOYSA-N 448.504 5.491 30 10 IKEE O=C1C(=Cc2cccc(Cl)c2)SC(=Nc2ccncc2Cl)N1C1CCCCC1 2314542083 GYHRYSFLCQTHLR-UHFFFAOYSA-N 432.376 6.325 30 10 IKEE C=CCN1C(=O)C(=Cc2ccccc2OCc2ccc(C)cc2)SC1=Nc1cccnc1 2314542138 SMZBIRHHPNAROU-UHFFFAOYSA-N 441.556 5.759 30 10 IKEE Cn1cccc1C=C1SC(=Nc2nc(-c3ccccc3)cs2)N(C2CCCCC2)C1=O 2314543894 ORNBYCMEBSCLMN-UHFFFAOYSA-N 448.617 6.085 30 10 IKEE CSC1(C#C[C@@H](N)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCC1 2314628829 CUPGPKWUFNRWEA-RUZDIDTESA-N 443.612 6.134 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCc4c(F)c(F)c(F)c(F)c4F)cc(C)c3C2=O)c1 2321811070 LWHYSQYJFVVTAX-UHFFFAOYSA-N 446.371 6.194 30 10 IKEE C=Cc1ccc(COc2cc(C)c3c(c2)OC(=Cc2ccccc2Br)C3=O)cc1 2321863197 UEYRJPAEVMGHCT-UHFFFAOYSA-N 447.328 6.596 30 10 IKEE CCn1cc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCC(C)C)C4)c2ccccc21 2322236317 HMIXDGFHNQQVOP-UHFFFAOYSA-N 430.548 5.784 30 10 IKEE Cc1ccc(COc2ccc3ccccc3c2C=CC(=O)c2ccc3ccccc3c2)cc1 2322318928 ABPBTIDOECXTRK-UHFFFAOYSA-N 428.531 7.777 30 10 IKEE CCCOC(=O)COc1c(C=CC(=O)c2ccc3ccccc3c2)cc(Cl)cc1OC 2322319000 UYYNCEGWTVTXNW-UHFFFAOYSA-N 438.907 5.730 30 10 IKEE CCCCN1COc2c(cc3c(c2C)OC(=Cc2cccc(Br)c2)C3=O)C1 2322341227 GLMKXIQTFZDAIE-UHFFFAOYSA-N 428.326 5.326 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2nccs2)cc1 2322359619 VOFKZNVOHDTOOL-UHFFFAOYSA-N 426.925 5.273 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)NC2CCCCC2)c1 2322617403 UQBNNQMRPRPFCI-UHFFFAOYSA-N 425.956 5.681 30 10 IKEE CCc1ccccc1NC(=O)COc1cccc(C=CC(=O)c2ccc(OC)c(C)c2)c1 2323081313 OMIBREHWZXYVCV-UHFFFAOYSA-N 429.516 5.480 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OCC(=O)Nc1cccc(C)c1 2323203699 VXEMSOWLNMMTNF-UHFFFAOYSA-N 443.543 6.041 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1OCC(=O)Nc1ccccc1 2323259320 NESXMPJGQBQFPC-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OCc1ccccc1F 2323433657 YWTYUONPHXHGCS-UHFFFAOYSA-N 430.519 6.578 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccccc2Cl)cc1Cl 2323603093 NCUPJUBVEGROSQ-UHFFFAOYSA-N 434.363 5.917 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OCC(=O)N(CC)CC 2323907992 CYYUMJBSNCAENK-UHFFFAOYSA-N 429.944 5.190 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OC(=O)CCc4cccs4)ccc3C2=O)cc1 2323975017 KZQDSIBQIXKCPM-UHFFFAOYSA-N 447.556 5.749 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OCC(=O)Nc1ccc(C)cc1 2323985103 DAVOWJGQTVZCOP-UHFFFAOYSA-N 447.506 5.755 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OCC(=O)Nc1ccc(C)cc1C 2323985402 RJWXSGUFVIHIEW-UHFFFAOYSA-N 447.506 5.673 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3c(ccc(OCCc4ccccc4)c3C)C1=O)cn2C 2324281675 UNLBIFWNHFGHPO-UHFFFAOYSA-N 439.511 5.733 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OCc3cccc(Cl)c3)c(Cl)c2)c1C 2324339327 QIYKYCDFTDYKTA-UHFFFAOYSA-N 439.382 7.702 30 10 IKEE COc1cccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccc(C)cc4)cc(C)c3C2=O)c1 2324375728 DDIKRELJGAWGPL-SFHVURJKSA-N 443.499 5.334 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2324375793 KTNFMTQIPCEQAN-KRWDZBQOSA-N 447.918 5.979 30 10 IKEE COc1ccccc1C=C1Oc2cc(O[C@@H](C)C(=O)Nc3ccccc3Cl)ccc2C1=O 2324388693 NXFXRVCGGSFYES-HNNXBMFYSA-N 449.890 5.371 30 10 IKEE CCc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccccc4)cc(C)c3C2=O)cc1 2324405827 FUZYDQXZETZHDK-GOSISDBHSA-N 427.500 5.580 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccccc4C)c3C)C2=O)cc1 2324412787 GBMZIKAMTHPHIK-IBGZPJMESA-N 427.500 5.634 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OCc1cccc(Cl)c1 2324455702 JAHOQVDKVCTJIH-UHFFFAOYSA-N 446.974 7.169 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3cccc(F)c3)c(Cl)c2)c(OC)c1 2324472473 NZXWRYFUGPRBRH-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE Cc1cccc(OCCCCOc2ccc3c(c2C)OC(=Cc2ccccc2C)C3=O)c1 2324574007 ATFWHGBPKXTABW-UHFFFAOYSA-N 428.528 6.466 30 10 IKEE CCOC(COc1ccc2c(c1C)OC(=Cc1ccc(N(CC)CC)cc1)C2=O)OCC 2324741869 IRLNAGOYNNMFJI-UHFFFAOYSA-N 439.552 5.235 30 10 IKEE Cc1cc(OCC(=O)C(C)(C)C)cc2c1C(=O)C(=Cc1ccc(-c3ccccc3)cc1)O2 2324926296 OYHSLIWZKKQLJZ-UHFFFAOYSA-N 426.512 6.272 30 10 IKEE CCCCCCCCCOc1ccc2c(c1)OC(=Cc1ccc(Br)cc1)C2=O 2325183584 JRTREPDLBJDLFK-UHFFFAOYSA-N 443.381 7.195 30 10 IKEE COc1cc(C=CC(=O)C(=O)Nc2ccccc2C(C)C)ccc1OCc1ccccc1 2325652526 DUFOJDVJNYSKMF-UHFFFAOYSA-N 429.516 5.619 30 10 IKEE COc1cccc(COc2ccc3c(c2C)OC(=Cc2ccc(OC)cc2OC)C3=O)c1 2325690941 WENXZICHFBWRTD-UHFFFAOYSA-N 432.472 5.216 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 2325712359 DXQICTGVZMBXTD-UHFFFAOYSA-N 440.583 7.442 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1ccccc1)C2=O)Nc1cccc(Cl)c1Cl 2325734329 JXEHWJRQLJAXSX-UHFFFAOYSA-N 440.282 5.627 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(Br)cc3)c2)cc1 2325738315 UIXKYQRIDTVHEA-UHFFFAOYSA-N 435.317 5.802 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2cccc(C=CC(=O)c3cc(C)ccc3C)c2)c1 2325740756 BZKLZQQFYBDHGI-UHFFFAOYSA-N 428.528 6.273 30 10 IKEE Cc1cc(C(=O)Oc2cccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)c2)ccc1[N+](=O)[O-] 2325746420 ONNIVHRNPQUENH-UHFFFAOYSA-N 443.499 6.316 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2ccc(F)cc2)cc1OC(=O)CC(C)C 2325751155 VGCRNEOPZJNMEI-UHFFFAOYSA-N 435.289 5.444 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(F)c(F)c3)c2)cc1Cl 2325769694 XTFZRLGESWLLSU-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)CCc3ccccc3)c2)c2ccccc12 2325777410 XPDVDVXYSORXLJ-UHFFFAOYSA-N 436.507 6.283 30 10 IKEE CCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1ccccc1[N+](=O)[O-] 2326331528 FLJPXCDFRKKDJT-UHFFFAOYSA-N 437.569 5.611 30 10 IKEE COc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2cc(C)cc(C)c2)cc1 2326422067 XKBPSELYCPZWMO-UHFFFAOYSA-N 442.588 5.669 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccc(C)o2)c(C)c1 2326460485 BMLLCFVTCIBSBN-UHFFFAOYSA-N 430.577 5.756 30 10 IKEE CCCCOc1ccc(C=Nn2c(COc3ccc(OCC)cc3)nnc2SC)cc1 2326631239 KCOSYFNNNCFGFH-UHFFFAOYSA-N 440.569 5.039 30 10 IKEE CCCSc1nnc(COc2ccc(OCC)cc2)n1N=Cc1c(F)cccc1Cl 2326689016 ODTMTPLKAPEDJU-UHFFFAOYSA-N 448.951 5.433 30 10 IKEE CCCOc1ccc(C=Nn2c(COc3ccccc3Cl)nnc2SCC)cc1 2327635711 MSMDZYPDPZTJCO-UHFFFAOYSA-N 430.961 5.294 30 10 IKEE COc1ccccc1CCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccco1 2328677754 VNINTDHHUJHKNC-UHFFFAOYSA-N 432.549 5.148 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1ccc(Cl)cc1 2328790146 QPUMSJFOACMZFX-UHFFFAOYSA-N 426.973 5.678 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)cc2C)n1N=Cc1ccc(OCC)cc1 2328897237 LXLYLYWITHYVFR-UHFFFAOYSA-N 436.581 5.423 30 10 IKEE Clc1cccc(CSc2nnc(CCc3cccs3)n2N=Cc2cccs2)c1 2329687489 FAUAQNKIUXHIGK-UHFFFAOYSA-N 445.038 6.014 30 10 IKEE Fc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2N=Cc2ccccc2)cc1 2329860331 HCXBLFQWDXLJFE-UHFFFAOYSA-N 436.943 5.836 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCCc2ccccc2)n1N=Cc1ccc(Cl)cc1 2330115090 CKJBABPICXXOAM-LJQANCHMSA-N 447.007 6.300 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCc3ccccc3F)nnc2-c2cccs2)cc1 2330583096 GGYNHGQVEPDEJQ-UHFFFAOYSA-N 436.581 6.444 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2-c2ccccc2)cc1 2330649065 GAWITVYKEYPHEZ-UHFFFAOYSA-N 432.524 5.657 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1[N+](=O)[O-] 2330684968 UGZCZISESPSNNP-UHFFFAOYSA-N 447.531 6.246 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2-c2ccccc2)cc1 2330692954 HAEIXRUJIFHUEO-UHFFFAOYSA-N 447.007 6.896 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)ccc1OC(=O)CCc1ccccc1 2330765235 HOKUELAIDSRVQH-UHFFFAOYSA-N 428.528 6.082 30 10 IKEE Fc1ccccc1C=Nn1c(SCc2ccc(Cl)cc2Cl)nnc1C1CCCC1 2331096985 QCRVYWOCVFRHBX-UHFFFAOYSA-N 449.382 6.556 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2ccc(F)cc2)nnc1C(C)(C)C 2331371776 INVWDMNJZIKSFT-UHFFFAOYSA-N 426.561 5.678 30 10 IKEE Cc1ccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C(C)(C)C)cc1 2331400755 RCNKDDVIJJBWOK-UHFFFAOYSA-N 433.408 6.365 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3sccc3C)c(Cl)c2)cc1F 2331454002 KLTKZXADHICWRS-UHFFFAOYSA-N 430.884 5.973 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc([N+](=O)[O-])c1OC(=O)c1ccco1 2331500254 OMSVXJVMDYJEMB-UHFFFAOYSA-N 449.459 5.825 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)ccc1OC(=O)C1CCCC1 2331608578 IXRVMFSUNGLRMQ-UHFFFAOYSA-N 442.511 6.479 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1cccc(OC)c1O 2331659087 VUZUSKRULXJIOD-UHFFFAOYSA-N 432.549 5.273 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1C1CC1 2331734488 QGXSAWMTAYEGKT-UHFFFAOYSA-N 437.525 5.025 30 10 IKEE CCCC(=O)Oc1c(OC)cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc1OC 2331754828 SHTDJWSBQFVZJU-UHFFFAOYSA-N 432.900 5.276 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)ccc1OC(=O)C(C)C 2331814506 JWBHTKHVJHGGGA-UHFFFAOYSA-N 437.319 5.858 30 10 IKEE CC1(C)OB(C=Cc2ccc(N[C@H]3CCCN(Cc4ccccc4)CC3)nc2)OC1(C)C 2339543687 VAPHCGPYXVAMBF-QHCPKHFHSA-N 433.405 5.193 30 10 IKEE C[C@H](CC(C)(C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339604814 VAZGGDVZWZYZFE-TUQDCPSNSA-N 446.397 5.187 30 10 IKEE N#C[C@H](C(=O)c1cc(Br)c(Br)s1)c1ccc(Cl)c(F)c1 2362143062 LKKQKNLUIHUOBW-ZETCQYMHSA-N 437.515 5.556 30 10 IKEE N[C@@H](C#Cc1ccnn1C1CC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2367780619 GCNDRIMZPVAFMT-MHZLTWQESA-N 449.554 5.428 30 10 IKEE CCOc1ccc2c(c1)O/C(=C\c1ccc(OC(=O)c3ccc(F)cc3)c(OC)c1)C2=O 8823926 JSKDDMBEYSHAFO-QRVIBDJDSA-N 434.419 5.068 30 10 IKEE C=CCn1c(SCC(=O)Nc2cccc(C)c2)nc2scc(-c3ccccc3)c2c1=O 9041578 GHKNNOJEISHRKN-UHFFFAOYSA-N 447.585 5.350 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1ccc(-c2cc(Cl)ccc2Cl)o1 17096323 OXZTWKVFHAQONN-IBGZPJMESA-N 429.307 5.503 30 10 IKEE CCOc1ccc(Cl)cc1/C=C1/S/C(=N/c2ccccc2)N(C[C@@H]2CCCO2)C1=O 19637540 SYSLHZGKUNLUIS-VWUZQUOYSA-N 442.968 5.522 30 10 IKEE CC(C)c1ccc([C@@H]2N=C(Nc3nc4ccccc4s3)NC3=C2C(=O)CC(C)(C)C3)cc1 19642013 FDPANFPGIXGRHS-QHCPKHFHSA-N 444.604 6.175 30 10 IKEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2 20750120 YINVJIVHPQUNSK-PZPWOCDFSA-N 435.376 5.284 30 10 IKEE CC(C)Oc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2C(F)(F)F)cc1 21252856 WNZYHWOXGRSKDH-VQIMIIECSA-N 443.465 5.497 30 10 IKEE C=CCCC(=O)Nc1c(OC(=O)N(CC)CC)ccc2c1ccn2Cc1ccccc1F 23334820 KIOVSTGASMKQHF-UHFFFAOYSA-N 437.515 5.574 30 10 IKEE CCn1nc(C)c(CCN/C(=N\C(=O)c2cccc(F)c2)Nc2ccc(C(C)C)cc2)c1C 32973288 MRZKIIRYDFUAJQ-UHFFFAOYSA-N 449.574 5.223 30 10 IKEE COc1cc(C(=O)/C(=C\c2ccccc2F)c2nc3ccccc3o2)cc(OC)c1OC 33399735 DWZYPQBSDMJMFJ-SFQUDFHCSA-N 433.435 5.416 30 10 IKEE Cc1c(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c(O)n(C2CCCCC2)c(=O)c1C#N 38618399 MJEMTEFJKHTFMC-ZDUSSCGKSA-N 449.334 5.196 30 10 IKEE Cc1c(/N=N/c2ccccc2Br)c(O)n([C@@H](C)c2ccccc2)c(=O)c1C#N 39871002 ODBZQNDRFXCKJC-OWSVEQCWSA-N 437.297 5.521 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)c1ccccc1Nc1ccccc1 100427524 ZCHGRDCGAKCFOZ-UHFFFAOYSA-N 436.684 8.641 30 10 IKEE C/C(=N/Cc1ccc(F)cc1)c1c(-c2ccccc2)[nH]n(-c2nc3ccccc3s2)c1=O 100636623 HGMLPDPARCTNCY-YUMHPJSZSA-N 442.519 5.591 30 10 IKEE CCN1C(=O)/C(=C/c2c[nH]c3ccccc23)S/C1=N/c1nc(-c2ccccc2)cs1 101130249 LVYNAAQSNLNGQC-MUURFWRXSA-N 430.558 5.915 30 10 IKEE O=C(C[C@@H]1S/C(=N\C2CCCCC2)N(C2CCCCC2)C1=O)Nc1ccc(F)cc1 106699264 YKRFKKVQHCNZTG-UOODYVSWSA-N 431.577 5.120 30 10 IKEE COc1cc(/C=N\NC(=N)SC)ccc1OCc1c(Cl)ccc(Cl)c1Cl 169888648 NSMYVWMOJZAUKE-UYOCIXKTSA-N 432.760 5.456 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2cccc(F)c2)cc1 169921631 QPYLUQWMCITYDJ-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccc(OC)cc2)cc1 169922806 LXFYAECBISJSMV-DEOSSOPVSA-N 427.500 5.349 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2c2ccccc2C)cc1 169926587 HDTBCJIYKWWBKF-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CCCN1C(=S)N[C@H](c2ccc(OCc3ccccc3)c(Cl)c2)C(C(C)=O)=C1C 169930151 VSZGRASAWUZJDH-JOCHJYFZSA-N 428.985 5.423 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc(C)c2)c1 169966142 QGJXGZSVOLCORZ-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1cccs1)c1ccc(Cl)cc1 169988278 JFGKZAKKFZOJOQ-SFHVURJKSA-N 431.847 5.463 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2cccnc2)cc1 170002686 XHSZNHLVVIMJAW-JOCHJYFZSA-N 432.907 5.641 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@H]2c2cccnc2)cc1C 170008832 ROMGPUKNOBCZLI-QFIPXVFZSA-N 432.907 5.443 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 170059769 NXEDZHQXEHKMLG-FQEVSTJZSA-N 440.883 5.159 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(F)(F)F)cc3)[C@@H]2c2ccco2)cc1C 170095288 IOLKNRAJPYANBV-HXUWFJFHSA-N 441.405 5.698 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2sccc2C)cc1 170106150 WEISKOZVQMWOLQ-JOCHJYFZSA-N 431.557 6.019 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccs2)cc1 170166634 IOCILUMNNZYEJL-NRFANRHFSA-N 425.550 5.304 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccccn2)c1 170172317 AAZZOEZPDJVFMJ-XMMPIXPASA-N 442.515 5.269 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@@H]1c1ccc(OCC)cc1 170214173 ZLMTWRNCIFWCCS-FQEVSTJZSA-N 443.927 5.044 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cccc2ccccc12 170221219 ILNWXJBZPYKXTK-GYCJOSAFSA-N 427.500 5.152 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2)cc1C 170223539 SHWTUYQPOHLTHL-QHCPKHFHSA-N 431.463 5.316 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 170239567 KYICOFCWENRWPA-FQEVSTJZSA-N 442.273 5.915 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1cccc(O)c1 170258428 XORLUEDQOJUGOV-HSZRJFAPSA-N 443.499 5.109 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@@H]1c1ccc(CC)cc1 170268113 RKWVEVHBIQGDCY-NRFANRHFSA-N 446.572 5.669 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccccc1C 170277375 GEGBQIDFHXZWHE-FQEVSTJZSA-N 442.353 5.526 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cc3cc(Cl)ccc3o2)=C(O)C(=O)N1C1CCCC1 170278551 WUWANXCKNQOSOD-QFIPXVFZSA-N 435.907 5.916 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccco2)ccc1Cl 170282906 NPXGXTZNXOYILG-OAQYLSRUSA-N 437.879 5.423 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccco1)c1cccc2ccccc12 170296097 YGFHFELLKWRXKI-QHCPKHFHSA-N 427.431 5.350 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccc(C)o2)cc1 170302479 HCGIMISRWSEZSB-QHCPKHFHSA-N 431.488 5.386 30 10 IKEE Cc1[nH]c2ccccc2c1[C@H]1C(C(=O)c2ccncc2)=C(O)C(=O)N1c1cccc(Cl)c1 170404886 JESZJNYWIXOMNE-QFIPXVFZSA-N 443.890 5.308 30 10 IKEE Cc1ccc(N=C2S/C(=C/c3ccccc3OCc3ccccc3C#N)C(=O)N2C)cc1 252623857 PAYRFYHAYXRJCI-AHLKSMJESA-N 439.540 5.680 30 10 IKEE Cc1ccc(OCCn2cc(C=N/N=c3/[nH]c4ccccc4s3)c3ccccc32)c(C)c1 254700579 SORLOHRIGAWADB-UHFFFAOYSA-N 440.572 5.815 30 10 IKEE Cc1ccc(N=C2S/C(=C3\Sc4ccccc4N3C)C(=O)N2C2CCCCC2)cc1 254771525 ONKPPTZEDGZSFY-SEYIQKDNSA-N 435.618 6.302 30 10 IKEE O=C1/C(=C/c2cccc(F)c2)SC(=Nc2cccc3ccccc23)N1C[C@H]1CCCO1 263629031 PUHJTEZAQSLHBG-JYUUJCLHSA-N 432.520 5.762 30 10 IKEE Cc1ccc(SC2=C(Nc3cccc(C#N)c3)C(=O)N(c3cc(C)ccc3C)C2=O)cc1 526660900 RKEGYBGORLNVNC-UHFFFAOYSA-N 439.540 5.473 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc3ccccc23)cc1 526773273 LSVUQHUCWIACRC-MHZLTWQESA-N 447.534 6.746 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1c(F)cccc1Cl 526812141 ZOXBUQKEAMXCSZ-MXAYSNPKSA-N 430.980 6.205 30 10 IKEE COc1cc(/C=N\n2cnnc2SCc2cccc3ccccc23)ccc1OC(C)C 526820403 PXALKRCLIAYDOA-WGARJPEWSA-N 432.549 5.402 30 10 IKEE CCCCc1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(CC)cc2)cc1 586238122 MXGOWOSIJXTNCN-UHFFFAOYSA-N 432.589 5.859 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)cc(Br)cc1F 689351709 RYJKRCAMERKLRB-DOTOQJQBSA-N 433.337 5.237 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2cc(Br)ccc2F)cc1 698956909 LJCRBMGTTWVRTH-GOSISDBHSA-N 435.293 5.603 30 10 IKEE COc1cc(C=NNc2nc3ccccc3s2)ccc1OCc1ccc([N+](=O)[O-])cc1 1083971286 MAFIBKQOCLKYDH-UHFFFAOYSA-N 434.477 5.238 30 10 IKEE COCCN1C(=O)/C(=C\c2ccc(-c3ccc(C(C)=O)cc3)o2)SC1=Nc1ccccc1 1084334553 OIOFWBZESKJEDA-MPVWDOOLSA-N 446.528 5.400 30 10 IKEE COc1ccc(/C=C2/S/C(=N/c3ccccc3)N(Cc3ccccc3)C2=O)c(OC)c1 1615021767 VIRQWYGGWLVQLB-JHXFIANCSA-N 430.529 5.508 30 10 IKEE Fc1ccc(NC(=S)N/N=C\c2cn(-c3cccc(F)c3)nc2-c2ccccc2)cc1 1857808319 BKDVPCPZWWKQJD-WGARJPEWSA-N 433.487 5.138 30 10 IKEE Cc1cccc(-n2cc(/C=N\NC(=S)Nc3ccc(C)c(C)c3)c(-c3cccs3)n2)c1 1857808583 DULNKLJNDLQFOW-QFEZKATASA-N 445.617 5.847 30 10 IKEE N#Cc1cccc(C(=O)Nc2ccc(Cl)c(NC(=O)c3cc(Cl)cc(Cl)c3)c2)c1 1860461542 FXPGXEBUTUJJJE-UHFFFAOYSA-N 444.705 6.023 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccccc2)c1)O/N=C1/CCN(Cc2ccccc2)C1 1860468613 IARGZBOLZZICJB-PRJBSUSISA-N 426.516 5.084 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])[C@H](C)CC 1861132914 BNVWSAPONYDQRS-KSTUBBRSSA-N 445.604 5.396 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc2cc[nH]c2c1 1862380664 IPBKMTPMPIEWAX-ODXCJYRJSA-N 443.330 5.852 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CC(C)C)cc1 1862385848 ZHPWVDGMIGLHHW-FQEVSTJZSA-N 432.347 5.790 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@@H]1c1cccc(C)c1 1862389209 ALFLUOIQGWYAHE-VWLOTQADSA-N 433.592 6.496 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccccc2Cl)=C(O)C(=O)N1CCc1cccs1 1862429618 QRJWGTZXVHZIHX-NRFANRHFSA-N 437.948 5.531 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(F)cc1 1862430354 IPKHCDFXDFTVFT-PGRDOPGGSA-N 443.946 6.416 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862506818 BBHUYZKVSBBMON-HSZRJFAPSA-N 433.454 5.360 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(C)cc1 1862507630 QCCXFNVYXPVJAC-XUZZJYLKSA-N 437.555 6.380 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2cccc(O)c2)cc1 1862532754 JGRFZGCSSUJWIQ-XMMPIXPASA-N 433.548 5.646 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(Cl)cc1 1862535720 JFIVUJPHXPPYSQ-JOCHJYFZSA-N 425.956 6.061 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1cccc(OCCC)c1 1862537497 WYLXBQHUEKXTLU-XMMPIXPASA-N 435.564 5.806 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2ccccc2)cc1 1862554516 FAKQDSXVOGVYJP-BXKMTCNYSA-N 426.516 5.171 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862597088 LSPWNVPOPBOZRA-BXKMTCNYSA-N 443.499 5.130 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C2CCCCCC2)c1 1862625396 FDKMKBJPNGYIDZ-HSZRJFAPSA-N 433.504 5.025 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1cccc2ccccc12 1862644329 ILIRUEDHSRIZDA-QHCPKHFHSA-N 433.479 5.366 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 1862666991 PWWUJGXCXUENIC-UZUQRXQVSA-N 435.564 5.067 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc(O)c1 1862674381 MUTYMIUQYDPBMK-UGKGYDQZSA-N 425.500 5.469 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)c1 1862674486 YMLSZCHTIQKKPU-QMHKHESXSA-N 431.463 5.174 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862677099 YWWDUNDQFXOSGK-XDHUDOTRSA-N 445.490 5.564 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc2ccccc12 1862678647 STCSCORPMWVWEU-WSNNEZGNSA-N 443.518 6.136 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cc(Cl)cc(Cl)c1 1862760675 TYXBUKQURNEINN-GOSISDBHSA-N 449.290 5.280 30 10 IKEE N#Cc1ccccc1NC1=C(c2cccc3ccccc23)C(=O)N(c2cccc(F)c2)C1=O 1862840389 LJJYBFZPZCUHSJ-UHFFFAOYSA-N 433.442 5.247 30 10 IKEE Cc1cccc(NC2=C(c3ccc(Cl)c(Cl)c3)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1862912245 JRMPIBAATDVYQV-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE CCCCOc1ccc(NC2=C(c3cccs3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1863113055 NVQZFJGJNJOYPA-UHFFFAOYSA-N 443.528 5.195 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2OC)=C(c2c[nH]c3ccccc23)C1=O 1863494366 LLXRYIXAELPBMD-UHFFFAOYSA-N 445.563 5.729 30 10 IKEE CCC[C@H](NC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866984145 HUQSAFQAYBXGJW-LEWJYISDSA-N 446.378 5.528 30 10 IKEE CC[C@@](C)(NC(=O)c1ccc(-c2cc3ccccc3[nH]2)cc1)C(=O)Nc1cccc(C#N)c1 1867064850 YTFRNZFDTFTHGS-HHHXNRCGSA-N 436.515 5.244 30 10 IKEE CC(C)c1nc(Nc2ccccc2C#N)cc(N2CCC[C@@H]2c2nc3c([nH]2)CCCC3)n1 1868238931 XTLYLLNGTIZKLW-OAQYLSRUSA-N 427.556 5.159 30 10 IKEE CC(C)c1nc(Nc2ccc(C#N)cc2)cc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)n1 1868242018 GGHRGYWKIQVWFR-OAQYLSRUSA-N 433.943 5.447 30 10 IKEE CCCCCCCOc1cn(Cc2ccccn2)c(CSCc2ccccc2)cc1=O 1870259684 CSZQPIJOCTUOQD-UHFFFAOYSA-N 436.621 6.074 30 10 IKEE CCCCCCCOc1cn(CCC)c(CN2CCN(c3ccc(F)cc3)CC2)cc1=O 1870409033 ILAWABJXJSOBEE-UHFFFAOYSA-N 443.607 5.069 30 10 IKEE CCCCCCCOc1cn(CCCN(CC)CC)c(CN2CCC[C@@H](C)C2)cc1=O 1870411526 CUJSJDIWMPSRPS-HSZRJFAPSA-N 433.681 5.161 30 10 IKEE CCCCCCCCCCn1cc(OCc2ccc(F)cc2)c(=O)cc1CN(C)CCO 1870625054 MUVUQQQBZNVPEW-UHFFFAOYSA-N 446.607 5.131 30 10 IKEE CCCCCCCCn1cc(OCCCc2ccccc2)c(=O)cc1CN1CCCCC1 1870688462 ODULPGMTKAKPJY-UHFFFAOYSA-N 438.656 6.206 30 10 IKEE CCCCCCCCCCn1cc(OC)c(=O)cc1CNc1ccc(OC)c(Cl)c1 1870999573 GHBKHOYLLULYCL-UHFFFAOYSA-N 435.008 6.272 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(F)c(F)c4F)c3C)C2=O)cc1 1871370647 XDFOGVAVXVGNQD-NDENLUEZSA-N 438.401 5.810 30 10 IKEE CCCOc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871387927 QGEAICRQDUDNSW-UCQKPKSFSA-N 448.902 6.273 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OCCCCOc4ccccc4)c3C)C2=O)c1 1871403754 YFPOCYOALQKVEY-BWAHOGKJSA-N 430.500 5.858 30 10 IKEE CCCCCCCCCOc1ccc2c(C)c(-c3cc(OC)ccc3OC)c(=O)oc2c1 1871429376 DZHXJFZSDDHYFT-UHFFFAOYSA-N 438.564 6.915 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O)Nc1cccc(Cl)c1 1871454688 RMCZIEFYBJJDAU-FBHDLOMBSA-N 440.282 5.627 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc(C)c4C)ccc3C2=O)cc1 1871459287 PMRQYMDZNSAUKB-QFEZKATASA-N 427.500 5.500 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(CCCC)cc1)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1871831396 IGPGQIKEHVPHKM-RDPSFJRHSA-N 442.625 5.259 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1ccccc1 1872299564 HJMCPPZWRQPOKK-NRFANRHFSA-N 434.989 5.023 30 10 IKEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccccc1CC)S(=O)(=O)c1ccc(Cl)cc1 1872474224 DKZIAIXIXUNMRJ-JOCHJYFZSA-N 449.016 5.133 30 10 IKEE N#C[C@@H](C(=O)c1cccc(Br)c1)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872760245 KPVQZSSYHVRPME-IBGZPJMESA-N 437.362 5.941 30 10 IKEE COc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)cc1 1872775494 RRFZNZCUHDMCNM-SFHVURJKSA-N 440.496 5.002 30 10 IKEE C=CCc1ccccc1OCc1cccc(C(=O)Nc2ccc(CC(=O)OC(C)C)cc2)c1 1872834471 YJBQSEWJIDEXAV-UHFFFAOYSA-N 443.543 5.741 30 10 IKEE CCCCCCCCNC1=C(c2c(C)cc(C)cc2C)C(=O)N(CCCOC(C)C)C1=O 1873120624 ABYIDFNOJACXQN-UHFFFAOYSA-N 442.644 5.457 30 10 IKEE CCCCCCCCCCNC1=C(c2cccc(Cl)c2Cl)C(=O)N(C2CC2)C1=O 1873127653 YZYFPXJYHUSKNQ-UHFFFAOYSA-N 437.411 5.966 30 10 IKEE N#Cc1nc([C@@H]2C[C@H]2c2ccccc2)oc1N/N=C/c1ccccc1OCc1ccccc1 1873471048 VHQSYICHHYRWDB-YJLQFATCSA-N 434.499 5.842 30 10 IKEE CCCCCCCCNc1ncnc2c1ccc(=O)n2-c1ccc(Nc2ccccc2)cc1 1873540381 YCBQBTVTHKIPOJ-UHFFFAOYSA-N 441.579 6.297 30 10 IKEE CCCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1/N=C/c1cccn1C 1874193866 LRMUWKVLFKJXIJ-BUVRLJJBSA-N 446.020 5.283 30 10 IKEE CCCc1ccc(OCc2nnc(SCc3ccccc3F)n2/N=C/c2ccc[nH]2)cc1 1874258049 GWKNRSABLWHIPH-JFLMPSFJSA-N 449.555 5.451 30 10 IKEE CCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccc(N(CC)CC)cc1 1874263039 DWHSCOFYFWMRBY-BUVRLJJBSA-N 444.004 5.351 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3Cl)n2/N=C/c2ccco2)c1 1874274181 CBUCMJWJRYNDMV-MFKUBSTISA-N 436.968 5.793 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1/N=C/c1ccccc1C 1874477708 ITGGPIDNWFGCDF-MFKUBSTISA-N 435.597 5.159 30 10 IKEE COc1cc(/C=N/n2c(SCc3cccc(C)c3)nnc2C(C)(C)C)cc(Cl)c1O 1874483646 GOMHPYRSLCAXEJ-WYMPLXKRSA-N 444.988 5.426 30 10 IKEE CCOc1c(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CC2)cccc1OC 1874520455 NQCUWPAIXVELGP-ZMOGYAJESA-N 442.972 5.391 30 10 IKEE CCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1cc(Br)ccc1F 1874526667 ZXBLXHGVGUUPFC-FOKLQQMPSA-N 447.377 5.533 30 10 IKEE Cc1ccc(Cc2nnc(S)n2/N=C/c2cccc(OCc3ccc(F)cc3)c2)cc1C 1874562371 RLOZKFPWZBAKNC-JFLMPSFJSA-N 446.551 5.375 30 10 IKEE CCCCC1CCC(c2nnc(S)n2/N=C/c2ccc(OC(C)C)c(OCC)c2)CC1 1874563624 OHYRPBQICHJGNL-PCLIKHOPSA-N 444.645 6.099 30 10 IKEE Cc1cc(OCc2nnc(S)n2/N=C/c2c(F)cccc2Cl)cc(C)c1Cl 1874568546 DYFRIPINIGMFQO-GZIVZEMBSA-N 425.316 5.091 30 10 IKEE O=C(/C=C/c1cc(Br)ccc1OCc1ccccc1F)c1ccccc1Cl 1874575161 YWDWLQKITIQGMM-PKNBQFBNSA-N 445.715 6.717 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(F)cc2F)c1OCc1nc(O)c2ccccc2n1 1874576399 LIKLTAUMUSFBLL-FMIVXFBMSA-N 448.425 5.097 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(Cl)cc2)c1OCC(=O)Nc1cc(C)ccc1C 1874578595 WYBFGDNODDIJGU-SDNWHVSQSA-N 449.934 5.879 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2ccccc2Cl)cc1Cl 1874590760 ILZJFZPZJVVZPG-ZRDIBKRKSA-N 443.326 6.486 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccccc2OCc2c(Cl)cccc2Cl)cc1C 1874591022 OVFZXAXUOGMXMW-VAWYXSNFSA-N 441.354 7.094 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Br)c(OC)c(Br)c2)cc1C 1874606799 HKPRBTAWOWMTQA-GQCTYLIASA-N 440.131 5.433 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(F)c(C)c3)cc2[N+](=O)[O-])cc1 1874618645 LQDMLKLVVGQHQR-VZUCSPMQSA-N 448.450 5.264 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2OC)cc(OC)c1OCc1ccccc1C 1874619514 DPUMLVOTPNQQAP-BUHFOSPRSA-N 442.555 6.524 30 10 IKEE Cc1ccc(COc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2Br)cc1 1874632954 DWVXLZKEPDILCN-FMIVXFBMSA-N 435.361 6.849 30 10 IKEE CCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(C)CC1 1874640556 KMLUGOYXOOHBKI-DEOSSOPVSA-N 425.617 5.204 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCCOc3ccc(C)cc3)c2)cc1 1874701503 WFFZUWFRBLCEGT-WOJGMQOQSA-N 444.527 6.054 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OC(=O)CCCOc1ccccc1C 1874702895 OSYYCSHJVBLDLM-FOWTUZBSSA-N 444.527 5.973 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1OC(=O)c1cccc(Cl)c1 1874707795 XJPBAJHPVJPBIC-VMPITWQZSA-N 436.847 5.193 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3ccc(C)cc3C)c2)c(C)c1C 1874712101 PQDBHKMZKDNRQD-ZRDIBKRKSA-N 444.527 5.809 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1OC(=O)c1ccc(C)c(C)c1 1874712331 FLSGFFYPMAIWIC-XYOKQWHBSA-N 444.527 6.053 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2cccc(OC)c2)CSc2nnc(C3CCC3)n21 1874879948 AMPCRAOKNBVLLX-OAQYLSRUSA-N 442.629 5.616 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc([N+](=O)[O-])c1OC(=O)C1CCC1 1875097796 CTEUMHPFNPALNV-JLHYYAGUSA-N 449.503 5.474 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(OCC)c(OC(=O)CCC)c([N+](=O)[O-])c2)cc1 1875106594 WMMZBQUNDCUWET-NTCAYCPXSA-N 439.508 5.938 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)c1cncc(C)c1 1875160688 YRXVGOUTHKUQJR-ZZXKWVIFSA-N 443.833 5.446 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1C 1875174666 CKTFNSIZSTWBFQ-IZZDOVSWSA-N 433.435 5.395 30 10 IKEE COc1cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2)cc(OC)c1OC 1875175997 RENWSZDOIOFFFH-UKTHLTGXSA-N 446.499 5.445 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1cccc(F)c1 1875183671 NEHFWKVPQLLDBL-PKNBQFBNSA-N 432.491 6.265 30 10 IKEE N#Cc1cc(F)c(NCCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1Cl 1884857406 OXPAEKOLGASMNP-UHFFFAOYSA-N 435.886 5.301 30 10 IKEE N#Cc1ccc(C(=O)NCCSc2cn(Cc3ccccc3)c3ccccc23)c(F)c1 1891728552 BODGWVYYAPJXLI-UHFFFAOYSA-N 429.520 5.222 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]([C@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccccc2)C1 1911092697 LNFUZRWGRVXPCE-RHGYRFJNSA-N 429.561 5.404 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)OC(C)(C)C 1922086364 PPGOIBHWWVQDMH-LWSSLDFYSA-N 428.617 5.163 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21)NCC 1922116429 QEYOPIMCWZCEBP-VWNXMTODSA-N 436.596 5.667 30 10 IKEE CCCCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC)C(=O)O 1927425808 CHAQFHRNYZYWIL-CLOONOSVSA-N 437.580 6.365 30 10 IKEE CC(C)(C)OC(=O)N(CC1CC1)[C@@H](C#N)c1c(Br)cccc1Br 1938364748 IPLOZLBDJVXMAE-AWEZNQCLSA-N 444.167 5.423 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)C1 1944696926 DLJFLQDVUOXBFC-QFBILLFUSA-N 449.979 5.621 30 10 IKEE CCCC#CC[C@H](NCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2024373690 RPPSLIXCDFGHNS-JYFHCDHNSA-N 428.617 5.002 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@@]1(C#N)CN(Cc2ccccc2)C2(CCCC2)C1 2038665643 LOFBJZJUIDSVBP-DEOSSOPVSA-N 438.576 5.405 30 10 IKEE COc1cc(C=C2CCc3ccccc3C2=O)ccc1OCc1cccc(C(F)(F)F)c1 2053611108 FWQHOVANYAPTLV-UHFFFAOYSA-N 438.445 6.506 30 10 IKEE O=C1C(=Cc2ccc(Br)cc2)S/C(=N\c2ccccc2)N1c1ccccc1 2054750083 ZPDZJAANZQTWKI-UBXODTPDSA-N 435.346 6.258 30 10 IKEE C=C1CC(C[C@H](CC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)NCC)C1 2061669624 XIJZMJWTKSBSMJ-XMMPIXPASA-N 441.660 5.270 30 10 IKEE C=CCN1CC[C@@H](NC)[C@@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071343363 CIRDJHLLNFQWTL-NAKRPHOHSA-N 428.576 5.365 30 10 IKEE C#CCC[C@H](NCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071349237 MLNGVQMPZGBJPZ-LSYYVWMOSA-N 429.560 5.270 30 10 IKEE C=CC1(C[C@@H](NC)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCC1 2071357671 RHOQFMCLOJAERQ-AREMUKBSSA-N 427.588 6.852 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)CC[C@H]2C)c1 2076315342 BBWKRNZPPDZZTP-KBMIEXCESA-N 443.588 5.666 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Cl)cc1Br 2077807674 XQPQDKOEIBDLHC-SJORKVTESA-N 431.802 5.613 30 10 IKEE Cc1ccc([C@@H](n2nc(C3(C)CC3)c(C#N)c2I)C2(C)CC2)c(F)c1 2079091233 ZOTSRXXXBTYOLP-QGZVFWFLSA-N 449.311 5.248 30 10 IKEE CC(C)c1nn([C@H](c2ccc(C(F)(F)F)cc2)C2CCC2)c(Br)c1C#N 2079845107 PTIVALNUHXTISA-KRWDZBQOSA-N 426.280 6.049 30 10 IKEE NCc1c(C(F)(F)F)nn([C@@H](c2ccc(C(F)(F)F)c(F)c2)C2CCC2)c1Cl 2079848822 NRMWGDRFHGSUQN-CYBMUJFWSA-N 429.767 5.561 30 10 IKEE COc1ccc([C@@H](n2nc(C(C)(C)C)c(C=NO)c2Br)C(C)(C)C)c(C)c1 2079928756 KYMYEGUUOJBQFV-GOSISDBHSA-N 436.394 5.704 30 10 IKEE CC(C)Oc1ccc([C@H](C2CC2)n2nc(C3CCC3)c(C=NO)c2Br)cc1 2080125708 JOSMZRSEGNDKHQ-FQEVSTJZSA-N 432.362 5.508 30 10 IKEE CCC[C@@]1(Nc2cc(Br)c(C#N)cc2F)CCCN(C(=O)OC(C)(C)C)C1 2162305137 YTSYNKIIHOJPDB-HXUWFJFHSA-N 440.357 5.442 30 10 IKEE CCN(Cc1cccc(Nc2cc(Br)ccc2C#N)c1)C(=O)OC(C)(C)C 2162421142 CXPALFQHRBXXIL-UHFFFAOYSA-N 430.346 5.821 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](Nc2cc(Br)cc(F)c2C#N)[C@H]2CCCC[C@@H]21 2179395833 ORPLHMWEOLTPLW-BVGQSLNGSA-N 438.341 5.050 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1ccc(C2CC2)nc1 2181761985 JUDXOMLDRKXFNX-LJQANCHMSA-N 428.330 5.728 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NC)[C@H]1CC2(CCCC2)CCN1C(=O)OC(C)(C)C 2215583702 BITFWRRWPUGIHM-DHIUTWEWSA-N 428.617 5.307 30 10 IKEE C=C(C)CC[C@H](NCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229107127 GFFPYULGFVRFHV-OALUTQOASA-N 425.411 5.219 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)CCCN(C(=O)OC(C)(C)C)C(C)C 2235730441 VBZOGFPBMJTLQE-IBGZPJMESA-N 437.422 5.204 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)C1(NC(=O)OC(C)(C)C)CC2(CC(C)C2)C1 2260722158 WMSGTOIZYUZPNQ-LDMCSPDUSA-N 442.644 5.601 30 10 IKEE C=CCC1(COc2cc(C)cc(Br)n2)CCN(C(=O)OC(C)(C)C)CC1 2272075817 GFCOFXAXQKVSTL-UHFFFAOYSA-N 425.367 5.125 30 10 IKEE C=CC[C@@]1(COc2c(N)cccc2Br)CCCCN1C(=O)OC(C)(C)C 2272096344 OEYPOJKWIOOSGW-FQEVSTJZSA-N 425.367 5.146 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(Nc2ccccc2Br)C[C@H]2CCCC[C@@H]21 2279688670 PCOVZQFTJMZGOR-YWMUFLPLSA-N 434.378 5.323 30 10 IKEE CN(CCc1ccc(Nc2c(Br)cccc2C#N)cc1)C(=O)OC(C)(C)C 2285169215 FXQZWCOWHFMGRG-UHFFFAOYSA-N 430.346 5.474 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CC[C@H](Nc3c(Br)cccc3C#N)C2)CC1 2285240342 LMMVDSSEJGKVID-INIZCTEOSA-N 434.378 5.302 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)[C@]2(C#N)Nc1ccccc1Br 2285961200 QFBQZIUDGOBVKF-BSZHMFSPSA-N 434.378 5.227 30 10 IKEE C=CCN(CC[C@H](Cc1c(F)cccc1Br)NCCC)C(=O)OC(C)(C)C 2289747941 KQUZYYPHYHQUTI-MRXNPFEDSA-N 443.401 5.312 30 10 IKEE C=CC[C@@H](C)[C@@](C)(OCCC(=O)O)c1cc(Br)c(Br)s1 2292066684 MVAATXNNJIIESI-YMTOWFKASA-N 426.170 5.192 30 10 IKEE CN(C)c1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 2296285354 YDXOPOBKOOSCBJ-JOCHJYFZSA-N 432.907 5.032 30 10 IKEE Cc1cc(C)c2nc(N3C(=O)C(=O)C(=C(O)c4ccco4)[C@H]3c3ccccc3)sc2c1 2297062155 RLERMIWFBYDRCK-HXUWFJFHSA-N 430.485 5.132 30 10 IKEE C=CCc1cc(C=C2SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1O 2297366748 RFYWNYOHPGQXLR-UHFFFAOYSA-N 431.966 5.497 30 10 IKEE O=C1NC(=Nc2ccc(Cl)c(C(=O)O)c2)SC1=Cc1cccc(Cl)c1Cl 2297624923 GFPROCZQGFOSBM-UHFFFAOYSA-N 427.696 5.237 30 10 IKEE C=C(C)CN(Cc1ccccc1)[C@@](C)(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)O 2306616772 HUAPKYQCHKIWKM-OFVILXPXSA-N 430.589 5.088 30 10 IKEE C=CCOC(=O)C=Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1 2314019696 YMFVCJVGQRNAHV-UHFFFAOYSA-N 442.136 6.077 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2Cl)Oc2cc(OCc3ccc(Cl)cc3)ccc21 2314438610 ZAHKCFWYQPKKQM-UHFFFAOYSA-N 431.702 6.842 30 10 IKEE O=C(C=Cc1ccc(-c2cccc(Cl)c2)o1)c1cccc(NC(=O)c2ccccc2)c1 2314456848 CDZPMLZDJLLDPY-UHFFFAOYSA-N 427.887 6.748 30 10 IKEE O=C(C=CC(=O)N(Cc1ccccc1)Cc1ccccc1)c1ccc(Br)cc1 2318403795 JBOTZYVPJRGFCL-UHFFFAOYSA-N 434.333 5.417 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OCc3ccc(Cl)c(Cl)c3)cc(C)c2C1=O 2321792420 OTKJFFDMDQBOQC-UHFFFAOYSA-N 431.340 6.867 30 10 IKEE CCCCC[C@@H](CC)N1COc2cc(C)c3c(c2C1)OC(=Cc1cccc(Cl)c1)C3=O 2322072610 FBRHHIXSYBVDLX-HXUWFJFHSA-N 439.983 6.775 30 10 IKEE O=C1C(=Cc2ccco2)Oc2c1ccc1c2CN(C2CCCCCCCCCCC2)CO1 2322166829 TVEQLODVOBVQQQ-UHFFFAOYSA-N 435.564 6.721 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3c(ccc4c3CN(CCC(C)C)CO4)C1=O)cn2C 2322236311 FYQCDHQPOVOYRI-UHFFFAOYSA-N 432.520 5.001 30 10 IKEE COc1ccc([C@H](C)N2COc3ccc4c(c3C2)OC(=Cc2cccc(Cl)c2)C4=O)cc1 2322239894 UOKVMDDVCUJNFF-INIZCTEOSA-N 447.918 5.878 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(F)cc2F)c1OCc1ccc(Cl)cc1 2322501252 JPEJTGVBXGRNAO-UHFFFAOYSA-N 449.280 6.755 30 10 IKEE O=C(C=Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1cccc(Cl)c1 2322524786 XFNIUOMCYBTHEZ-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE CCc1ccc(NC(=O)COc2c(C=CC(=O)c3ccc(F)c(C)c3)cccc2OC)cc1 2322638333 UDHSWBARTSEUGZ-UHFFFAOYSA-N 447.506 5.619 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc(C)cc4)c3C)C2=O)cc1OC 2322671267 BNCSXSYZACXNDA-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE Cc1cc(OC(=O)c2ccc(Br)cc2)cc2c1C(=O)C(=Cc1cccs1)O2 2322708440 VLZQEFSQWLFIJQ-UHFFFAOYSA-N 441.302 5.654 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OC(=O)c4ccc(C(C)(C)C)cc4)c3C)C2=O)c1 2322737777 KTJYLLYXUCRDAC-UHFFFAOYSA-N 426.512 6.436 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3ccccc3c2)c(Br)c1OCCCO 2323047688 BVEBWYRQGLGAJU-UHFFFAOYSA-N 441.321 5.268 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OCc3nc(O)c4ccccc4n3)c2)cc1 2323134842 JVRJSKAUBFVVNY-UHFFFAOYSA-N 426.472 5.209 30 10 IKEE CCOC(=O)c1ccc(COc2cccc(C=CC(=O)c3cccc4ccccc34)c2)o1 2323203324 UUWDUIOPMPFSDN-UHFFFAOYSA-N 426.468 6.085 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4C)cc(C)c3C2=O)cc1 2323260385 AOSLWBGXGZXJJT-UHFFFAOYSA-N 445.427 5.056 30 10 IKEE CCN(CC)C(=O)COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1Cl 2323514841 NIMQPLJCRLZFPH-UHFFFAOYSA-N 440.754 5.790 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Cl)c(OCC(=O)OC)c(OCC)c2)cc1 2323541066 WSWQGWRURORCIR-UHFFFAOYSA-N 430.928 5.529 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OC(=O)CCc4ccccc4)c3C)C2=O)c(OC)c1 2323720741 CAGNVLDAVFMLNT-UHFFFAOYSA-N 444.483 5.167 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)c1 2323802654 XBXFDPDURSMTEV-UHFFFAOYSA-N 445.427 5.137 30 10 IKEE CCCN(CCC)C(=O)COc1c(Cl)cc(C=CC(=O)c2ccccc2)cc1OCC 2323812790 JETLYEOLWCLBFC-UHFFFAOYSA-N 443.971 5.662 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Cl)c1OCc1cc(C)ccc1C 2323858515 GGZJRXXVEAIIJC-UHFFFAOYSA-N 448.990 7.447 30 10 IKEE O=C1C(=Cc2ccccn2)Oc2c1ccc(O)c2CN(Cc1ccccc1)Cc1ccccc1 2324055412 OGRKTEQTSUANAE-UHFFFAOYSA-N 448.522 5.606 30 10 IKEE Cc1c(OCCCOc2ccccc2)ccc2c1OC(=Cc1c(F)cccc1Cl)C2=O 2324241180 PHBNGNOIJWZTID-UHFFFAOYSA-N 438.882 6.252 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)OC(=Cc1cccs1)C2=O 2324345652 VOFIJQQKNSUELF-QGZVFWFLSA-N 447.556 5.950 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2324370320 OPSZQIJYRPXCJH-MRXNPFEDSA-N 433.891 5.671 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2OC)ccc1OCCc1ccccc1 2324474823 BZLIOZOOIIOXHD-UHFFFAOYSA-N 432.516 5.620 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2sccc2C)C3=O)c(C)c1 2324494244 IIPOLQDICYNRTE-KRWDZBQOSA-N 433.529 5.696 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OCCc1ccccc1 2324547715 YGMPOVOFEJDDAT-UHFFFAOYSA-N 430.544 6.147 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OCc2nc(O)c3ccccc3n2)cc1 2324693625 VQFSGHHAVBHJNV-UHFFFAOYSA-N 446.890 5.473 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)C=Cc2ccc([N+](=O)[O-])cc2)n1 2324797380 NONOARKEGWULIF-NRFANRHFSA-N 445.544 6.214 30 10 IKEE N#C[C@@H](C(=O)C=Cc1ccccc1Cl)c1nc(-c2cc(Cl)ccc2Cl)cs1 2324834459 FOZWJLQJMHABJW-HNNXBMFYSA-N 433.747 6.660 30 10 IKEE N#Cc1c(NC(=O)C=Cc2ccc(OCc3ccccc3Cl)cc2)sc2c1CCC2 2325119165 MGOOXBNYUPWWFY-UHFFFAOYSA-N 434.948 5.993 30 10 IKEE CCCCOc1ccc(C=Nn2c(CCCC)nnc2SCc2cccc(F)c2)cc1 2325513275 DVDIFUGTUJBEAM-UHFFFAOYSA-N 440.588 6.113 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccccc1[N+](=O)[O-] 2325532637 XDMYAKRGVXQJDV-UHFFFAOYSA-N 429.933 5.357 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(C(C)(C)C)cc2)cc2c1C(=O)C(=Cc1ccccc1)O2 2325552491 ABNXUEZMQRTSAJ-UHFFFAOYSA-N 441.527 5.926 30 10 IKEE O=C(COc1ccc(Cl)cc1)Oc1cccc(C=CC(=O)c2ccc3ccccc3c2)c1 2325700325 DZKQIAHZZGCFPJ-UHFFFAOYSA-N 442.898 6.374 30 10 IKEE COc1ccccc1CC(=O)Oc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OC 2325727258 NQPRAFDDFARYGJ-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE CCN(CC)C(=O)COc1ccc2c(c1C)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2325743301 FTTHVLURWJMVOA-UHFFFAOYSA-N 434.319 5.165 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)c3cccc(Br)c3)c2)c(C)c1 2325764692 NVZZPAFCYQMJDH-UHFFFAOYSA-N 449.344 6.490 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1OC(=O)c1ccco1 2325765996 FLQJBPLOAKZPLR-UHFFFAOYSA-N 447.270 5.719 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1ccc(OCC)c(Cl)c1 2326446165 KBSKQPXUIDVZPC-UHFFFAOYSA-N 443.016 6.074 30 10 IKEE C=C(C)CSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1c[nH]c2ccccc12 2327001011 OXHTXOPBQXRTAO-UHFFFAOYSA-N 445.592 5.630 30 10 IKEE CCCCC1CCC(c2nnc(SCC(=O)OC)n2N=Cc2cccc(C)c2)CC1 2328179549 ANRUKUSQWSVBQY-UHFFFAOYSA-N 428.602 5.198 30 10 IKEE Cc1ccc(O)c(C=Nn2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2)c1 2329839957 GJBMFMOMLJCQTB-UHFFFAOYSA-N 432.524 5.197 30 10 IKEE CCCCCOc1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCCC)cc1 2329853927 GFIVYPAUKQQMAP-UHFFFAOYSA-N 440.588 5.961 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)cc3)n2N=Cc2ccc(O)cc2)cc1 2329936181 LKEKBSGOFBCZFR-UHFFFAOYSA-N 428.561 5.366 30 10 IKEE CCCSc1nnc(CC2CCCCC2)n1N=Cc1ccc(OCC)c(OCC)c1 2330279493 PIZIECZGEFHODM-UHFFFAOYSA-N 430.618 5.583 30 10 IKEE Clc1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccc[nH]2)c(Cl)c1 2330511465 UWAOTMOVAJFDQZ-UHFFFAOYSA-N 442.375 5.678 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc(C)c(C)c1 2330943833 NIIGMZFPPMGBJB-UHFFFAOYSA-N 434.919 6.471 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(OCCC)cc2)cc1OCC 2331306311 VWPUUDNFYRAMLK-UHFFFAOYSA-N 444.955 6.519 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)c1ccncc1 2331324383 RTKZDXAHWAPHFR-UHFFFAOYSA-N 435.907 5.866 30 10 IKEE COCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(Cl)c(Cl)c1 2331563868 OXVPVJINNQKEMO-UHFFFAOYSA-N 425.316 5.045 30 10 IKEE COCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccc(Cl)c(Cl)c1 2331577783 PIGHJDGCBGFZAI-UHFFFAOYSA-N 435.380 5.523 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)c(F)c3F)cc2)c(C)c1C 2331612431 VYJLANBJIDBDPL-UHFFFAOYSA-N 440.417 5.845 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccccc1OC(C)C 2331652899 XZLVXOYFGDRRTN-UHFFFAOYSA-N 428.989 5.846 30 10 IKEE C=CCSc1nnc(CCC)n1N=Cc1c(OCc2ccccc2)ccc2ccccc12 2331657550 YGKCKDFFHMGONQ-UHFFFAOYSA-N 442.588 6.123 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(Cl)c(OC)cc2OC)cc(OC)c1OC(=O)CC 2331702165 UQQUWZRQPXGTLV-UHFFFAOYSA-N 444.911 5.306 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)cc3OC)cc2)cc1 2331716699 BIJXRPCNPMKIKL-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3Cl)cc2)cc1Cl 2331817124 RKRBFYTXKVOTEY-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3cc(C)c(OC)cc3C)cc2)cc1 2331835369 XQPAKHOFACUPDE-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE C[C@H]1C[C@@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN(Cc2ccccc2)C1 2339534326 DXCMFJGPQZDSQP-NZQKXSOJSA-N 433.405 5.049 30 10 IKEE C=CCC(CC=C)[C@@H](NCCC)c1ccc(I)c(Br)c1 2364083266 KJFBRVCJGIGXFR-QGZVFWFLSA-N 448.186 5.863 30 10 IKEE C=CCC(CC=C)[C@@H](OCCCN)c1sc(Cl)cc1I 2366644044 VJAGCKVRDSLRIY-CQSZACIVSA-N 425.763 5.181 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CCC(=O)C#Cc2ccc(Br)cc2)C1(C)C 2370078196 FBGBCRSWMIMFHA-QFBILLFUSA-N 434.374 5.089 30 10 IKEE C=CCN1C(=O)[C@@H](Cc2ccc(Cl)c(Cl)c2)S/C1=N\N=C\c1ccc(OC)cc1 1776048 PZZFPISBOBBHCJ-MUESUYGVSA-N 448.375 5.065 30 10 IKEE O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)Oc2cc(OCc3ccc(Cl)cc3Cl)ccc21 2333928 LNTSNVFGONHARY-NKVSQWTQSA-N 442.254 6.097 30 10 IKEE Cc1cc(C)nc(N/C(=N/C(=S)Nc2ccc(Nc3ccccc3)cc2)NCC(C)C)n1 14156251 QLBRUPZBMKGBIN-UHFFFAOYSA-N 447.612 5.248 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1c(C)cc(C)cc1C)N2 14457852 OQSPCMZGJHCODQ-WCYRKSIYSA-N 448.632 5.801 30 10 IKEE Cc1cc(C)c2c(c1)/C(=C1/S/C(=N\c3ccccc3)N(c3ccccc3)C1=O)C(=O)N2 15015529 CWAFIWKLHMDAAM-RCBTVRNASA-N 425.513 5.434 30 10 IKEE Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc3ccccc23)cc1 21246986 ASTQYGCKYIQITM-SMSORMJASA-N 430.551 7.128 30 10 IKEE C=CCN1C(=O)c2[nH]nc(-c3c(C)cc(C)cc3O)c2[C@H]1c1cccc(OCCCCC)c1 38705715 HJNCILMVVOJALE-AREMUKBSSA-N 445.563 5.699 30 10 IKEE C=CCN1C(=O)/C(=C(\C)c2ccc(F)cc2)S/C1=N/c1nc(-c2ccccc2)cs1 39865928 WLUJZDPZCUKQLA-PKPRBZMYSA-N 435.549 6.129 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccc(C(C)C)cc1 40081132 HXIRMWUDLRVMCC-RUZDIDTESA-N 449.591 6.223 30 10 IKEE C=CCn1c(COc2ccc(CCC)cc2)nnc1SCC(=O)Nc1ccccc1C 40978137 KULYQBLSLVPWLT-UHFFFAOYSA-N 436.581 5.035 30 10 IKEE COc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(CCCc1ccccc1)C3 41644947 JFZYNGCTKJKJFJ-XYGWBWBKSA-N 441.527 5.405 30 10 IKEE Oc1ccc(Br)cc1/C=N/c1cc(C(F)(F)F)ccc1OC1CCCCC1 59202591 NJPQGLDJJDIMIJ-BRJLIKDPSA-N 442.275 6.636 30 10 IKEE C=C(C)COc1ccc(NCC(=O)Nc2ccccc2OCCOc2ccccc2)cc1 66062137 DEWBWYCVTCAYPJ-UHFFFAOYSA-N 432.520 5.150 30 10 IKEE Cc1ccc(C)c(-c2csc(NC(=O)/C=C\c3ccc(Br)cc3)c2C#N)c1 96437926 JBUKEJILUJRXRX-YFHOEESVSA-N 437.362 6.318 30 10 IKEE CCCN(CCC)C[C@H](O)Cn1cc(/C=C\C(=O)c2ccc(OC)cc2)c2ccccc21 96498670 FEHQBUXEGJMXLC-QPMFXJJASA-N 434.580 5.029 30 10 IKEE Cc1c(/C=C\c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)nnc(O)c1C#N 96889710 OLQZWTLLEZLCBZ-OWBHPGMISA-N 449.510 5.691 30 10 IKEE CCCCCCCCCCCCCCCCNCC(=O)Nc1cccc(Cl)c1Cl 100055583 PYUQJNGBGCOPIL-UHFFFAOYSA-N 443.503 8.003 30 10 IKEE CCN(CC)CCCN1C(=O)C(=O)/C(=C(\O)c2ccccc2)[C@H]1c1ccc(C(C)(C)C)cc1 103228245 YJYCBCPJCLKPSR-QQYUXEJHSA-N 448.607 5.138 30 10 IKEE CCCCCCCCc1c(C)nc(SCc2cc([N+](=O)[O-])ccc2OCC)nc1O 103592082 GDUUCCBYBBZHLP-UHFFFAOYSA-N 433.574 5.993 30 10 IKEE C=CC/N=C1\S[C@@H](CC(=O)Nc2ccc(Cl)cc2)C(=O)N1C1CCCCCCC1 103887177 YFSUMVLXPNFICS-COPMAWBXSA-N 434.005 5.268 30 10 IKEE O=C1/C(=C\Nc2cccc(F)c2)S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccsc21 105336707 BGNAUJZHPGAUOR-WOJGMQOQSA-N 448.928 5.027 30 10 IKEE Cc1ccc(Nc2nc(C)c(C(=O)/C=C\c3c(O)ccc4ccccc34)s2)c([N+](=O)[O-])c1 108744352 XOEGCFSJMAPYHG-XFXZXTDPSA-N 445.500 6.167 30 10 IKEE C=CCN(C(=O)CSc1ncc(-c2ccccc2)n1CC(F)(F)F)c1ccccc1 109621885 RGYNIHBHPNMDIS-UHFFFAOYSA-N 431.483 5.424 30 10 IKEE C=CCn1c(C(=O)NCCc2ccc(OCC)c(OCC)c2)c(C)c2cc(C(C)C)ccc21 169860507 JKGVYKOHJVZKOJ-UHFFFAOYSA-N 448.607 6.029 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@@H]2c2cccc(OC)c2)cc1 169931237 LGAFHBDEFZMXLT-RUZDIDTESA-N 441.527 5.603 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccccc2OC)cc1 169941084 MSHLMGLYGTWHDV-RUZDIDTESA-N 441.527 5.657 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccc(C(C)C)cc2)c1 169967596 DCCUONLTBWUSSD-DEOSSOPVSA-N 445.946 6.555 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@H]2c2ccccn2)cc1C 169996971 QXRBSMQLIKUXMF-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2cccc(C)c2)c1 170035727 QFJLXXZOQQYXMG-RUZDIDTESA-N 441.527 5.793 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2c[nH]c3ccccc23)c1 170074460 HATMHTOBIAFULD-DEOSSOPVSA-N 438.483 5.268 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2sccc2C)c1 170106566 SMFKJWDQIQOTIC-FQEVSTJZSA-N 437.948 6.110 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@@H]1c1cccc(C)c1 170147382 MARZYUIBLYVFHX-QFIPXVFZSA-N 441.955 5.816 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2cccs2)cc1 170158086 BCMCXELYQLMMRP-QFIPXVFZSA-N 433.529 5.547 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@H]1c1cccs1 170164872 NXWRUFSAQDFNDK-OAQYLSRUSA-N 427.566 5.649 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccncc2)ccc1Cl 170204366 FJYMXLIOQZGTDP-QFIPXVFZSA-N 448.906 5.225 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccc(O)c(Cl)c1 170220155 BYHCKZIHXATZLY-NRFANRHFSA-N 443.927 5.069 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2ccccc2)ccc1Cl 170227646 FIQJZWZATXQRKC-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2)cc1C 170230518 NPQXHGXXJVQPHI-QHCPKHFHSA-N 431.488 5.155 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(F)cc1 170243999 CUCULAMLAIDBOT-FQEVSTJZSA-N 429.875 5.009 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1ccc(C(C)C)cc1 170245209 AXEPZHCTQIDGNG-HSZRJFAPSA-N 437.536 5.206 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2Cc2ccco2)cc1 170266237 CDXLNHQZJJBLEF-DEOSSOPVSA-N 445.515 5.408 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccc2C)cc1C 170270998 OUVGEXZRJVVEEB-DEOSSOPVSA-N 445.490 5.542 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@@H]1c1ccc(C)o1 170300117 XDTATPCRFZJGDB-HSZRJFAPSA-N 447.487 5.005 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(C)o1 170308063 OJYVWHNXEPPFDV-HXUWFJFHSA-N 429.900 5.161 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@H]1c1c(C)[nH]c2ccccc12 170312109 MRGZIUVXGZKGTI-OAQYLSRUSA-N 438.911 5.127 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2nc3c(F)cc(F)cc3s2)c1 170461752 HTDZUTAMZAMIJB-GOSISDBHSA-N 442.487 5.398 30 10 IKEE CCCCCCCOc1ccc(/C=C\C(=O)/C=C\c2ccc(OCCCCCC)cc2)cc1 209902699 ZEWWKIDWNSHWKX-BKHHGCLFSA-N 448.647 8.291 30 10 IKEE COc1ccc(CCNc2nc(SC)nc(-c3cccc(Cl)c3)c2C#N)cc1OC 243088921 IVEJWLJNVIGJDH-UHFFFAOYSA-N 440.956 5.062 30 10 IKEE CSc1nc(Nc2ccc(N3CCCCC3)cc2)c(C#N)c(-c2cccc(Cl)c2)n1 243731195 PTPUCGMATSHMGI-UHFFFAOYSA-N 435.984 6.124 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(/C=C/C(=O)c2c(F)ccc(F)c2Br)cc1 406115904 QNQPYCWIPCXCMU-IZZDOVSWSA-N 438.268 5.970 30 10 IKEE CCCCCOc1ccc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526489348 QZIQKYQXYXATAW-XMMPIXPASA-N 444.556 6.246 30 10 IKEE CCCCOc1cccc(/C=N\n2c(CCC)nnc2SCc2ccccc2F)c1 526803472 VBPOMJWRBUUZCC-XYGWBWBKSA-N 426.561 5.723 30 10 IKEE Cc1ccc(CSc2nnc(C)n2/N=C\c2ccccc2COc2ccccc2)cc1 526804242 JTAAAJTWHKYMQM-QQXSKIMKSA-N 428.561 5.648 30 10 IKEE CCCOc1cccc(/C=N\n2c(CC)nnc2SCc2ccc(Cl)c(Cl)c2)c1 526814301 JADGQYTUVTZLKD-CFRMEGHHSA-N 449.407 6.111 30 10 IKEE C=CCCN(C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 586175714 BSSCOTWZIVQQFG-UHFFFAOYSA-N 437.561 5.060 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@](C)(C#N)COCc1ccccc1 698456267 MXRSSXAXEIGJPG-JOCHJYFZSA-N 445.357 5.690 30 10 IKEE CC(C)(C)OC(=O)N1CCC([C@](C)(C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)CC1 698827625 NATZPIZJCSFAJM-DEOSSOPVSA-N 447.551 5.497 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@@H](C#N)c1cccc(Br)c1F 698854655 FAHVHSQALRCGIE-INIZCTEOSA-N 439.712 6.248 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCc3cc(Br)ccc32)cc1 698899908 DXWHNOMAJNOAPH-JOCHJYFZSA-N 427.342 5.864 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@H](C#N)CN(C(=O)OC(C)(C)C)C(C)(C)C 698908025 FYDXFEVIQGFMSA-LJQANCHMSA-N 437.625 5.874 30 10 IKEE CCCCCCCCCC[C@H](O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 702385013 RVLDOJLGYWUOOI-RPLLCQBOSA-N 446.676 6.048 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@H](C#N)c1cccc(Br)c1Cl 706501225 TWYDLBHOWROHIA-MRXNPFEDSA-N 427.770 6.237 30 10 IKEE C=C(Cl)C[C@H](NCCC)c1cc(I)ccc1Br 710624559 YYGHGCVGKRJGMI-ZDUSSCGKSA-N 428.539 5.237 30 10 IKEE C=CCC1([C@H](NCC)c2c(Cl)cccc2Br)CN(C(=O)OC(C)(C)C)C1 722923520 RSOLBIYJUXRBPS-QGZVFWFLSA-N 443.813 5.566 30 10 IKEE COc1ccccc1NC(=S)/C(=C(/O)c1ccc(C#N)cc1)[n+]1ccc2c(c1)CCCC2 762436772 FYEIYEUUXNMVTI-UHFFFAOYSA-O 442.564 5.056 30 10 IKEE Clc1ccccc1COc1ccc2ccccc2c1C=NNc1nc2ccccc2s1 1084610955 VRRUYNYBJLIOEO-UHFFFAOYSA-N 443.959 7.128 30 10 IKEE CC(C)(C)[C@H]1CCc2c(sc(N=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)c2C#N)C1 1565518976 WBMRVESQUZSWJJ-HNNXBMFYSA-N 433.533 6.690 30 10 IKEE CCN1C(=O)/C(=C\c2ccccc2OCc2ccccc2Cl)SC1=Nc1cccnc1 1772730442 ABKCLRMVCBHTIQ-MBTIHVDPSA-N 449.963 5.938 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)SC1=Nc1cccc(C)n1 1772731676 QADGDWNRVMNYNU-UFDKDONYSA-N 448.504 5.491 30 10 IKEE Cc1nc(N)c(-c2c(F)c(F)c(F)c(F)c2F)cc1-c1c(F)c(F)c(F)c(F)c1F 1848358316 LYNAXKLKLYHKRB-UHFFFAOYSA-N 440.240 5.697 30 10 IKEE C[C@@]12CC[C@@H](OS(C)(=O)=O)CC1=CC[C@H]1[C@@H]3CC=C(c4cccnc4)[C@]3(C)CC[C@H]12 1857788222 LSAACYNNLMENON-JWRYYHJFSA-N 427.610 5.383 30 10 IKEE C=CCOC(=O)c1sc(NC(=O)C2(Oc3ccc(Cl)cc3)CCCCC2)nc1C 1859736926 CULKNTBMBSZPDH-UHFFFAOYSA-N 434.945 5.168 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1 1861377388 HFXRTTXHCCGOFL-XMMPIXPASA-N 426.576 5.424 30 10 IKEE N#Cc1cccc(NC(=O)c2cc(CCc3ccccc3)n(-c3cccc(Cl)c3)n2)c1 1862325949 JZNSSVCNNZYULG-UHFFFAOYSA-N 426.907 5.435 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(Cl)cc1Cl 1862467889 WMHAODXVJLAXMK-QGZVFWFLSA-N 444.236 5.399 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1Cl 1862482060 IUOQAPDTAHFOTC-NRFANRHFSA-N 446.374 6.460 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccccc2Cl)cc1 1862486446 CPEUXFKVYOTFTG-DEOSSOPVSA-N 445.946 6.044 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccc(C)cc2)cc1 1862507689 QTRNAQWWOJOINO-XMMPIXPASA-N 429.491 5.529 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccccc2[N+](=O)[O-])cc1 1862533203 JJQGPNJDMGJEMV-YBVWCTEOSA-N 448.519 5.314 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2Cl)cc1 1862535866 LWNDQHIGPPIBLH-NRFANRHFSA-N 437.948 5.742 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccc(Cl)cc2)cc1 1862536469 YQIDNDTXXPIDTR-QFIPXVFZSA-N 441.955 5.296 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2cccc(Cl)c2)cc1 1862554471 DIQTYKXQCVHHNS-QFIPXVFZSA-N 432.907 5.009 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(Cl)c(Cl)c1 1862586483 USAOIYUROLETAF-MRXNPFEDSA-N 445.129 5.898 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(OCC)c(OC)c1 1862624497 XXMXWWNAEBAEFA-QHCPKHFHSA-N 449.547 5.156 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccccc2Cl)cc1 1862662470 WYNNVNHPGZEETP-PGRDOPGGSA-N 439.939 5.221 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2cccc(O)c2)cc1 1862663107 PFTZZVQNIWTOKJ-XMMPIXPASA-N 427.500 5.294 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 1862691100 YEGHEEUHLKLCRY-IBGZPJMESA-N 434.319 5.236 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc(Cl)cc2Cl)c1 1862706501 YBAFOQCCZCGZGO-HXUWFJFHSA-N 448.346 5.626 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2Cc2ccco2)c1 1862722045 MINCWLIHDLZZGK-SANMLTNESA-N 449.506 6.034 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccccc1Cl 1862725885 UGGNWSUTRXYSPR-QHCPKHFHSA-N 429.903 5.771 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCc2ccccc2)=C(c2cccs2)C1=O 1863803296 AESROIFEPNDWHD-UHFFFAOYSA-N 438.637 5.801 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1nc(-c2ccncc2)cs1 1866032442 MSPNPQXKBDWXDU-UHFFFAOYSA-N 443.701 8.405 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc(F)c2)cn1Cc1cccc(C)c1 1870614226 CBAQTLFEELDGSV-UHFFFAOYSA-N 432.539 5.097 30 10 IKEE C=CCOc1cn(CCc2ccccc2)c(CNc2ccc(N3CCCCC3)cc2)cc1=O 1870810275 VOULENQORNQSCI-UHFFFAOYSA-N 443.591 5.258 30 10 IKEE CCCCCCCOc1cn(Cc2cccc(C)c2)c(CNc2ccc(C)cc2)cc1=O 1870836292 UIYIJSAKXDWURT-UHFFFAOYSA-N 432.608 6.475 30 10 IKEE C=CCn1cc(OCc2cccc3ccccc23)c(=O)cc1CNc1ccc2[nH]ncc2c1 1870918974 ZTMJZRXOPXQEFR-UHFFFAOYSA-N 436.515 5.255 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(Cl)cc1)O3)CN(Cc1ccccc1F)CO2 1871346970 NDUMVPHEJKHBAU-JJFYIABZSA-N 435.882 5.756 30 10 IKEE Cc1ccc(C)c(CN2COc3ccc4c(c3C2)O/C(=C\c2ccc(N(C)C)cc2)C4=O)c1 1871349356 PTFRRDMCFJYTAV-WGARJPEWSA-N 440.543 5.338 30 10 IKEE COC(=O)c1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccs2)C3=O)cc1 1871382388 SFOOCWWVOLMBPE-CRZZXXEWSA-N 446.480 5.078 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871387634 HHNVNQHXHNRMAL-HAHDFKILSA-N 448.902 6.273 30 10 IKEE CCn1cc(/C=C2\Oc3cc(O[C@H](C)C(=O)OC(C)C)cc(C)c3C2=O)c2ccccc21 1871400890 NWDHNYOVYAKMKL-NSTHGIQOSA-N 433.504 5.305 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCCCCOc4ccc(C)cc4)ccc3C2=O)c1 1871403675 UDUWKDNYOLPYAK-ONUIUJJFSA-N 430.500 5.858 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2)C3=O)c(C)c1 1871413279 CVERSDXTTAFWLZ-QHSFOXILSA-N 427.500 5.634 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OCc4cccc(C(=O)OC)c4)c3C)C2=O)cc1 1871416333 WUGJEMNCQVDVLW-IWIPYMOSSA-N 428.484 5.539 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(C)cc1)C2=O 1871424599 OVKVZVZFNPMXJY-OYKKKHCWSA-N 427.500 5.500 30 10 IKEE Cc1ccc(CCOc2cc(C)c3c(c2)O/C(=C\c2ccccc2Br)C3=O)cc1 1871437671 VCXTYJKZILMNDF-UCQKPKSFSA-N 449.344 6.304 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4cccc5ccccc45)c3C)C2=O)cc1 1871452264 BQDUKWBJCVZUFP-QQXSKIMKSA-N 449.506 6.090 30 10 IKEE CCN(CC)C(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O 1871460788 FEUKSNPQIACJAU-OCKHKDLRSA-N 434.319 5.165 30 10 IKEE C=CCN(CC=C)c1nc(=NCCCCCCCC)[nH]c(=Nc2cc(Cl)ccc2C)[nH]1 1871514422 SUBKLXRJYSZXMR-UHFFFAOYSA-N 443.039 5.372 30 10 IKEE CCCCCCCCN=c1nc(N(CC)CCCC)[nH]c(=Nc2cc(C)cc(C)c2)[nH]1 1871550357 LHYAFBZICOWNDJ-UHFFFAOYSA-N 426.653 5.475 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Cl)cc1C)c1ccccc1)S(=O)(=O)CCCC 1872506072 LFMONOWXJQRNMG-JOCHJYFZSA-N 449.016 5.336 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1ccc(Cl)cc1 1872612840 HPUXXEZADDXKGV-OAQYLSRUSA-N 445.069 5.290 30 10 IKEE N#C[C@@H](C(=O)/C=C\c1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872762557 QBNCUBFIBYVXQZ-XOYTVWKISA-N 433.747 6.660 30 10 IKEE CC(C)COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 1872773454 OAZUHJUAVLPYLE-LJQANCHMSA-N 434.517 5.106 30 10 IKEE COc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)c(OC)c1 1872773574 QSALENJHKRXOMX-HXUWFJFHSA-N 434.561 5.544 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccccc3Cl)n2)cc1F 1872775419 QALCLBNSRXWNEG-HNNXBMFYSA-N 444.915 5.647 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)/C=C\c2ccc(Cl)cc2)n1 1872786281 GSUCYVSIGNNKJP-MTIYJEKLSA-N 443.355 6.324 30 10 IKEE CCCCCCCCN1C(=O)C(NC2CCCCCC2)=C(c2ccccc2Cl)C1=O 1873031872 NFNKBIOTRLHMQE-UHFFFAOYSA-N 431.020 6.093 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccccc2Cl)=C(c2ccccc2C)C1=O 1873101239 NMRZWMSLPBOKPT-UHFFFAOYSA-N 438.999 5.879 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccc(C)cc2)=C(c2cc(F)cc(F)c2)C1=O 1873108414 SEPITDGUGUALOD-UHFFFAOYSA-N 440.534 5.503 30 10 IKEE CCCCSc1nnc(CCC)n1/N=C/c1cccc(OCc2ccccc2Cl)c1 1873501141 LPNKTMVKLILMNN-PCLIKHOPSA-N 443.016 6.237 30 10 IKEE Sc1nnc(Cc2ccccc2)n1/N=C/c1cccc(OCc2cccc(Cl)c2)c1 1873504793 LXKDDLBCEUPBCD-MFKUBSTISA-N 434.952 5.272 30 10 IKEE CCCCCCCCNC(=O)CCc1cc2c(-c3ccccc3)cc(=O)oc2cc1OC 1873886151 JJAAXZFWOKZZHP-UHFFFAOYSA-N 435.564 5.878 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccccc3OCC(C)C)c(=O)oc2c1 1873956592 SXEOHEFTVKRYEF-UHFFFAOYSA-N 435.520 5.272 30 10 IKEE Clc1ccccc1CCc1nnc(SCc2ccccc2)n1/N=C/c1ccccc1 1874279166 XHYJPHRDGXXTRC-YZSQISJMSA-N 432.980 5.891 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2ccc(C)cc2)cc1 1874349218 ABFCETMMOGMGSZ-YZSQISJMSA-N 428.561 5.360 30 10 IKEE Cc1ccsc1/C=N/n1c(CCc2cccs2)nnc1SCCc1ccccc1 1874371359 VQPSEHJVLJBNTR-XQNSMLJCSA-N 438.647 5.712 30 10 IKEE COc1ccc(/C=N/n2c(COc3ccccc3)nnc2SCc2ccccc2)cc1 1874384543 VKBFWHNLXBTUDM-PCLIKHOPSA-N 430.533 5.040 30 10 IKEE CCc1ccc(/C=N/n2c(Cc3ccc(C)cc3)nnc2SCc2ccccc2F)cc1 1874388976 FFRBACYWWVTCNP-OGLMXYFKSA-N 444.579 6.053 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(Cc2cccs2)n1/N=C/c1cccs1 1874415021 UNSCSHNVGBDMJX-SSDVNMTOSA-N 449.001 5.959 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2-c2ccccc2)c1OC 1874425367 FHLUIXIEMIERCZ-WGOQTCKBSA-N 444.560 5.445 30 10 IKEE Cc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCC(=O)Nc2cccc(C)c2)cc1 1874437451 BQPNZOLQSYFGQR-MFKUBSTISA-N 435.597 5.097 30 10 IKEE O=[N+]([O-])c1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C(F)(F)F)cc1 1874463156 VPJOUGMNNZNFET-LSFURLLWSA-N 441.822 5.033 30 10 IKEE COCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1cccc(C)c1 1874472914 CZZGCEUEKQTBIP-FSJBWODESA-N 435.380 5.257 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SCC(=O)OCCC)nnc2C(C)(C)C)cc1 1874486845 NKIJYVXIMODCAD-LFVJCYFKSA-N 446.617 5.072 30 10 IKEE Clc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C2CC2)cc1 1874523490 RYJCDJCPQHLTLG-AUEPDCJTSA-N 437.783 6.290 30 10 IKEE Cc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(C(F)(F)F)cc1 1874534028 NYZAKSIDPBBCGA-PGGKNCGUSA-N 428.842 5.572 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1)c1cccc([N+](=O)[O-])c1 1874592821 DGRNSEHVWZPNJJ-CSKARUKUSA-N 428.271 6.377 30 10 IKEE CCc1ccc(NC(=O)COc2cc(/C=C/C(=O)c3ccccc3OC)ccc2OC)cc1 1874594435 JYIFDDAVSYIFCJ-RVDMUPIBSA-N 445.515 5.180 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)ccc1OCC(=O)Nc1ccccc1F 1874605659 ZANJBQVXESTBIO-ACCUITESSA-N 449.478 5.147 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OCc1cccc(Cl)c1 1874608621 YIOKIBPZLJINES-ZRDIBKRKSA-N 427.327 6.867 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(OC)c1OCc1ccccc1Cl 1874608761 FYGBWSAVWCJGNP-VAWYXSNFSA-N 443.326 6.486 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(OC)c1OCc1ccc(Cl)cc1 1874611269 FXCZJMVHMCIALO-BJMVGYQFSA-N 444.861 6.111 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Cl)c1OCc1cc(C)ccc1C 1874611278 FJBJRVPJSAAYFT-RMKNXTFCSA-N 442.889 6.719 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccccc1 1874615267 OSOSSIVCIDUUGD-SFQUDFHCSA-N 428.528 6.298 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)c1OCc1cc(C)ccc1C 1874617519 GGZJRXXVEAIIJC-ZRDIBKRKSA-N 448.990 7.447 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OCC(=O)Nc1ccccc1 1874618618 KKJZCGKUAPTMKB-WYMLVPIESA-N 429.516 5.616 30 10 IKEE COc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)c2)cc1OC 1874693863 ZWSXCWOHZLSMFH-GXDHUFHOSA-N 442.511 5.698 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(OC(=O)CC)c(OC)cc2Br)cc1 1874701716 HFIRCJRSEXXSIU-DHZHZOJOSA-N 447.325 5.458 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OC(=O)CSc3ccccc3)c2)c1 1874706547 NLLBTRXXJUIFPX-ACCUITESSA-N 434.513 5.298 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)c1)c1ccc(F)c(F)c1 1874710781 JHUHQBJARJWTNZ-IEJDHCNXSA-N 438.857 6.223 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(C(C)C)cc2)CSc2nnc(C3CC3)n21 1874847377 AUOGLQDODXBEBV-JOCHJYFZSA-N 440.657 6.341 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OC(=O)Cc1cc(C)ccc1C 1875111876 NVGVWUSWTDJTIM-ACCUITESSA-N 448.946 6.400 30 10 IKEE O=C(Cc1cccs1)Oc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1 1875114803 WHWVHFWLFKBFDM-DHZHZOJOSA-N 427.319 5.555 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C2CCCC2)c(Br)c1)c1cccc(Cl)c1 1875121126 AKQWOTZISUFYTJ-CSKARUKUSA-N 433.729 6.094 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC(=O)Cc1cc(C)ccc1C 1875122415 LZXWUDKIZSOBGO-UXBLZVDNSA-N 436.454 5.634 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)[C@@H](C)Oc1ccc(Cl)cc1 1875129038 ICIGJWBDDASCQC-LEHPZIBWSA-N 436.891 5.618 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)c3ccccc3)c([N+](=O)[O-])c2)cc1F 1875152333 SPDXJZBCFJQNDM-YCABEKBOSA-N 449.434 5.348 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)c1ccccc1F 1875157742 MOKKHSXQAJWIQM-IZZDOVSWSA-N 428.818 5.742 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 1875159894 PSCALLNOMSBBMD-NTUHNPAUSA-N 449.434 5.177 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C2CCCC2)c(Br)c1)c1ccc(F)c(F)c1 1875162519 LZBRBEHIYFEPEC-WEVVVXLNSA-N 435.264 5.719 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OC)cc3)cc2)c1 1875172005 YUSXYVJKYPZGET-LZYBPNLTSA-N 446.499 5.608 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3F)c([N+](=O)[O-])c2)cc1C 1875174864 MTSIBOXXCUZGNK-RUDMXATFSA-N 437.398 5.605 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cccs3)cc2)c(OCC)c1 1875177658 GZLABFGSUCUTHU-NTEUORMPSA-N 436.529 5.590 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3c(C)cc(C)cc3C)cc2)cc1 1875182796 VHVICONRUHECCL-XNTDXEJSSA-N 442.555 6.445 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1[N+](=O)[O-] 1875183068 JAKSLLVPTJWMHG-PKNBQFBNSA-N 445.471 5.644 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(/C=C/C(=O)c3cc(C(C)(C)C)ccc3C)cc2)c1 1875184820 RVLHVGULUXGNMF-FOWTUZBSSA-N 440.583 6.954 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@H](C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 1880471989 YTJAKWHUNWPBCX-VQTJNVASSA-N 443.588 5.351 30 10 IKEE C=CCC1([C@H](NCC)c2ccc(Cl)cc2Br)CN(C(=O)OC(C)(C)C)C1 1898790406 XFODKHRRCLDUIN-QGZVFWFLSA-N 443.813 5.566 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1cccc(F)c1NC(=O)OC(C)(C)C 1922079704 IDJNNCBPRYLTGD-QFIPXVFZSA-N 428.548 5.986 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@H](CNC(=O)OC(C)(C)C)CC1CCCCC1 1922087245 XHEGBTSOJJRXDA-DQEYMECFSA-N 444.660 5.849 30 10 IKEE C=C(COCc1ccccc1)[C@@H](O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 1922129465 SAGQVLGXIAIZGN-XMMPIXPASA-N 437.580 5.089 30 10 IKEE CC[C@@](C#N)(CCNC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)c1ccc(OC)cc1 1942389066 UKVJIPXNQRAQMD-QHCPKHFHSA-N 433.549 5.024 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1c(Cl)cc(Cl)cc1Br 2024059117 LWESUHGBVCTKAC-GFCCVEGCSA-N 438.149 5.164 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(Cc3ccccc3)C3(CCC3)C2)cc1 2037913994 HHXINEKBRRNAGJ-HHHXNRCGSA-N 431.580 5.828 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@](C#N)(N(C(=O)OC(C)(C)C)c3ccccc3F)C[C@H]2C1 2040977620 LOFZQKBVYJEHDN-CZKAHXPPSA-N 445.535 5.106 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)C2(C#N)[C@@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]2C)c1 2042145651 XVFJQVSFUKCZDK-OALUTQOASA-N 443.588 5.522 30 10 IKEE Cc1ccc([C@H](C2CCC2)n2nc(C(F)(F)F)c(/C=N/O)c2Br)cc1C 2079016679 QJPCOQAGMFTTMO-RRDOOKONSA-N 430.268 5.479 30 10 IKEE CCOc1ccc([C@H](n2nc(C3CC3)c(C#N)c2I)C2(C)CC2)cc1 2080093941 HISWWYWFDWFMRH-SFHVURJKSA-N 447.320 5.025 30 10 IKEE C=CCCCCCC[C@@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2085848329 YYPUUEPNXKBJCL-ICDZXHCJSA-N 446.676 6.380 30 10 IKEE CCCCCCC[C@@H](NCC)c1ccc(Br)cc1I 2142288827 MSWQFIBZHQYTEV-MRXNPFEDSA-N 438.191 6.065 30 10 IKEE CCC1CCC([C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)CC1 2168393321 DJHLHYYREAGBOK-CNXQINBVSA-N 435.406 6.689 30 10 IKEE CC(C)c1ccccc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2174248057 SCWDZGMTIXJNPY-FQEVSTJZSA-N 429.358 6.579 30 10 IKEE CN(C(=O)OC(C)(C)C)c1ccc(CNc2ccc(C#N)c(Br)c2F)cc1 2175701770 PDMUYLZHEOACOZ-UHFFFAOYSA-N 434.309 5.443 30 10 IKEE CC(C)(C)OC(=O)Nc1c(F)cccc1C(=O)Nc1ccc(Br)cc1C#N 2181141637 NIZXMWAXKRQOES-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(C#N)c(Br)c2)CC12CCCC2 2194601993 ZACJEGDXUXWNRL-KRWDZBQOSA-N 434.378 5.445 30 10 IKEE CC(C)(C)OC(=O)NC1(c2ccc(Nc3cc(Br)cc(C#N)c3)cc2)CC1 2206284974 ZXPYGAUBGHDVSA-UHFFFAOYSA-N 428.330 5.578 30 10 IKEE C=CCCCCCCC[C@H](NCCC)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2220095918 ARXYJBJSTQWPEI-LOSJGSFVSA-N 446.676 6.381 30 10 IKEE C#CCCCC[C@H](NCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237403919 AHDHDOSHEDBPJI-PMACEKPBSA-N 437.422 5.057 30 10 IKEE C=CCCCCCCC(=O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237432929 PXLZXYLMOIVMDQ-LJQANCHMSA-N 438.406 5.981 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2c(F)ccc(Br)c2F)cc1 2239732556 RLUAOCBPEFYXHH-MRXNPFEDSA-N 437.284 6.042 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2cc(Br)cc(C#N)c2)C[C@H]2CCCC[C@H]21 2240974567 ZHJJUCCFEJQHMQ-AYOQOUSVSA-N 434.378 5.301 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)c1sc(Br)c(C)c1C 2275132320 VTUIEKXBWXXODO-GOSISDBHSA-N 439.371 5.433 30 10 IKEE C=CCC[C@H](C)[C@@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2277122341 PMEOSMNJNGXQKY-MUAVYFROSA-N 445.603 6.463 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1ccc(Br)cc1Cl 2278016563 SMNYHKKFHORBFR-HNNXBMFYSA-N 444.757 5.018 30 10 IKEE C[C@@H](c1ccc(NC(=O)OC(C)(C)C)cc1)[C@H](O)C#Cc1cccc(Br)c1 2296219971 TWSWDWPJRRGYRJ-MGPUTAFESA-N 430.342 5.312 30 10 IKEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccccc2F)cc1 2296927227 ZUYXSMSVFBPRLK-NRFANRHFSA-N 444.487 5.370 30 10 IKEE C=CCC(C)(C)[C@@H](NC)c1sc(Br)c(Br)c1Br 2304027532 JBOFMVLVAFCPRX-JTQLQIEISA-N 446.046 5.898 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2304177201 VJBAGNNIVYZEKY-MOPGFXCFSA-N 427.545 5.110 30 10 IKEE O=C1C(=CC=Cc2ccccc2[N+](=O)[O-])SC(=Nc2ccccn2)N1C1CCCCC1 2314541503 MSOSFKVANABPSF-UHFFFAOYSA-N 434.521 5.483 30 10 IKEE Cc1cc(OCc2c(F)cccc2Cl)cc2c1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)O2 2321802487 ZZCHXRVFFBXFDO-UHFFFAOYSA-N 439.826 5.891 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCc4c(F)c(F)c(F)c(F)c4F)c3C)C2=O)o1 2321813603 PJWYKAWKPGRWDU-UHFFFAOYSA-N 436.332 5.787 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1c(F)cccc1Cl)O3)CN([C@H]1CCCC[C@@H]1C)CO2 2322153217 KSFAAOLTXYFSRA-XOBRGWDASA-N 441.930 6.134 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(C(C)C)cc1)C3=O)CN([C@@H](C)c1ccccc1)CO2 2322371296 QAILXZDWGLSQEF-FQEVSTJZSA-N 439.555 6.648 30 10 IKEE COc1ccc(C=C2Oc3c(cc4c(c3C)OCN([C@@H]3CCCC[C@@H]3C)C4)C2=O)cc1OC 2322391621 GDWZXYZRAFXVGS-HRAATJIYSA-N 449.547 5.359 30 10 IKEE COc1cc(Br)cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)c1OCCCO 2322843456 URGPTCNROCBAMP-UHFFFAOYSA-N 447.369 5.349 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3cc(OC(=O)Cc4cccs4)ccc3C1=O)cn2C 2322864008 BVQHQAPFUGXBSU-UHFFFAOYSA-N 445.496 5.013 30 10 IKEE O=C(C=Cc1cccc(OCc2nc(O)c3ccccc3n2)c1)c1ccc2ccccc2c1 2323047491 DKXBNFNAQBHCKL-UHFFFAOYSA-N 432.479 5.964 30 10 IKEE O=C(C=Cc1cccc(OCc2cccc(Cl)c2)c1)c1cccc(Br)c1 2323097945 WXENQHKBSYFARB-UHFFFAOYSA-N 427.725 6.578 30 10 IKEE CCCN(CCC)C(=O)COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC 2323168576 JQRZEEPJBQWIHM-UHFFFAOYSA-N 427.516 5.066 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OCC(=O)Nc1ccc(F)cc1 2323302260 IBMAHKYWDXFNDB-UHFFFAOYSA-N 447.506 5.673 30 10 IKEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1cccc2ccccc12 2323379767 MPZWQKLGRPYFQW-UHFFFAOYSA-N 439.467 6.232 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(OC(=O)Cc3ccccc3[N+](=O)[O-])c2C)C1=O 2323395788 KQYNALLAERKOMG-UHFFFAOYSA-N 435.457 5.037 30 10 IKEE COc1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2OC)C3=O)cc1 2323423558 HDVXPSWRPFVXLM-UHFFFAOYSA-N 442.467 5.247 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)ccc3C2=O)c1 2323701310 CAYWNFOLCNBUCV-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-])Nc1ccccc1 2323791387 ZGPTULZLTLOCRD-UHFFFAOYSA-N 436.851 5.162 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(OC)cc2)C3=O)c1 2323831530 ZTEJBFSUNBOZAG-UHFFFAOYSA-N 430.456 5.319 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)c1 2323832131 NUZMMJOXGPGFHQ-UHFFFAOYSA-N 434.875 5.964 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1C 2323896119 OPSWKQFYFAOKBL-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cc(C)ccc3C)c(Cl)c2)cc1 2323900652 UFTKZPGMOVPURX-UHFFFAOYSA-N 433.935 6.179 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(F)cc1 2323914988 OSUWMWSYWJEQGM-UHFFFAOYSA-N 433.479 5.446 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(Br)c(OCC)c(OCC)c2)cc1 2323936796 YDXIDUZJIUAZOY-UHFFFAOYSA-N 433.342 5.931 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])cc1C 2324190737 CRWJSYIXFWFFMF-UHFFFAOYSA-N 448.450 5.264 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 2324244828 YVZBTQMLKZWILP-UHFFFAOYSA-N 429.806 6.002 30 10 IKEE CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O 2324325099 HJYJVOHFKCDYPE-MRXNPFEDSA-N 447.462 5.247 30 10 IKEE CC(C)c1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4)ccc3C2=O)cc1 2324400536 TVJVWPVBORXIDC-SFHVURJKSA-N 427.500 5.832 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OCC(=O)Nc1cccc(C)c1C 2324456178 LBZUHEWKLPEOOX-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCCCOc3cccc(C)c3)ccc2C1=O 2324561419 DTTZWWCFXBQCJX-UHFFFAOYSA-N 430.500 5.858 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)ccc1OCc1ccccc1F 2324693431 LSCCKSUSIMFABC-UHFFFAOYSA-N 442.486 6.471 30 10 IKEE N#C[C@H](C(=O)C=Cc1ccc(Cl)cc1)c1nc(-c2cc(Cl)ccc2Cl)cs1 2324834547 SUJDWMFOPYEKKN-MRXNPFEDSA-N 433.747 6.660 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2Cl)Oc2cc(OCCOc3ccccc3F)ccc21 2324851233 AWFLCIBNKZNLDH-UHFFFAOYSA-N 445.273 6.207 30 10 IKEE Cc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2325645506 DQHRGNOIATXPGJ-UHFFFAOYSA-N 440.287 5.115 30 10 IKEE COc1ccc(C(=O)Oc2cc(C=CC(=O)c3ccc(OC)c(C)c3)ccc2OC)cc1 2325713099 DMVHGKZTWRUICC-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1 2325715997 UOONBKHHVYZDKU-UHFFFAOYSA-N 425.484 5.493 30 10 IKEE CCCCc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccco2)C3=O)cc1 2325719678 OZIKBQCBLCBGHZ-UHFFFAOYSA-N 431.488 5.564 30 10 IKEE CCc1ccc(CCC(=O)Oc2cc(C=CC(=O)c3cccc(Cl)c3)ccc2OC)cc1 2325727670 SSDWVUNYWGGXBV-UHFFFAOYSA-N 448.946 6.345 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2cccc(C=CC(=O)c3ccc(C)cc3C)c2)cc1 2325736258 KOFWPSCMLXPVJT-UHFFFAOYSA-N 428.528 6.273 30 10 IKEE CCOc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3cc(C)ccc3OC)c2)cc1 2325743572 QNGHPGKVONEFLZ-UHFFFAOYSA-N 446.499 5.283 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1OC(=O)c1ccncc1 2325765219 IDNKWDCOYJGCAK-UHFFFAOYSA-N 429.516 5.811 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2cccc(OC(=O)c3cccc(C)c3)c2)cc1Cl 2325766900 HMFCCHWVTDOGPG-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1cc(OC)ccc1OC 2326458397 PDVWCWAIEPTOQL-UHFFFAOYSA-N 438.597 5.429 30 10 IKEE C=CCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1c[nH]c2ccccc12 2326619714 YQGOVEDNVLYXOL-UHFFFAOYSA-N 437.572 5.858 30 10 IKEE CCCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1cccc([N+](=O)[O-])c1 2327771921 BVVAHFASDHKRRI-UHFFFAOYSA-N 431.521 5.315 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc(OC)c2)n1N=Cc1c(F)cccc1Cl 2328636519 YEYWTMQWKBOXHX-UHFFFAOYSA-N 444.963 5.415 30 10 IKEE Cc1cccc(C=Nn2c(SCc3ccccc3C)nnc2[C@H](C)c2ccccc2)c1 2330056448 JIBFDCLWOOQIBG-OAQYLSRUSA-N 426.589 6.221 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2cccc(F)c2)c1 2330641127 RNAOSQOPIIIUES-UHFFFAOYSA-N 445.523 5.006 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3-c3ccccc3)cc2)cc1 2330742311 DEITWHWUMWVPDD-UHFFFAOYSA-N 432.519 7.031 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccccc1[N+](=O)[O-] 2330812642 YOULTBWRLZTNFJ-UHFFFAOYSA-N 427.505 5.089 30 10 IKEE Cc1cccc(C=Nn2c(CC(C)(C)C)nnc2SCC(=O)Nc2cccc(C)c2)c1 2330821005 SYAHVYQFMAUOJB-UHFFFAOYSA-N 435.597 5.097 30 10 IKEE Cc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccc(Cl)c(Cl)c2)cc1 2330874384 FZWLPGAUWRRYRY-UHFFFAOYSA-N 447.435 6.656 30 10 IKEE O=C(Cc1ccc(Cl)c(Cl)c1)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1 2331138384 ZJGJTDVBJYLYTH-UHFFFAOYSA-N 445.729 6.691 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC(=O)Cc1ccc(F)cc1 2331152748 LAOJRHFUDNTMDH-UHFFFAOYSA-N 438.882 5.922 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc4ccccc4n3C)cc2)cc1 2331190135 LAFCPQSKIXPZOS-UHFFFAOYSA-N 425.484 5.692 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)c1cc(C)cc(C)c1 2331319365 LOLZKFQQPQFBEY-UHFFFAOYSA-N 444.527 6.053 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)Cc1cccs1 2331330787 HVYUDBHMPOEFPX-UHFFFAOYSA-N 444.911 5.902 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CCCC)nnc1SCc1cccc(Cl)c1 2331348970 GLGXHLHLAFIOKV-UHFFFAOYSA-N 441.000 6.013 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2ccc(Cl)cc2)nnc1C(C)(C)C 2331405517 RCMXMKQTKVLEEI-UHFFFAOYSA-N 441.000 5.968 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)c1cccc(C)c1 2331531977 GHGWCZBQVXKKHC-UHFFFAOYSA-N 438.882 6.302 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)cc2)cc1C 2331704651 POVGGUQNQLVGDE-QFIPXVFZSA-N 442.555 6.696 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(N(C)C)cc2)cc1 2331741503 NOLAKVGLRYCEAH-UHFFFAOYSA-N 449.934 5.838 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)ccc1OC(=O)C1CCCC1 2331761790 ZOSJNCSYWJPBOQ-UHFFFAOYSA-N 428.912 5.657 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3)c(OC)c2)cc1C 2331854814 XBDYMWORPQRRPX-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE C=CCOc1ccccc1C=C1C(=O)N(c2ccc(Cl)c(Cl)c2)N=C1c1ccccc1 2332114283 MLUCWHIPURINCN-UHFFFAOYSA-N 449.337 6.393 30 10 IKEE COc1cc(C=NNc2nc(C)c(C(C)=O)s2)ccc1OCc1ccccc1Cl 3960924 SOSZFTSUIHOAQS-UHFFFAOYSA-N 429.929 5.341 30 10 IKEE O=C1C[C@H](c2ccccc2Cl)CC2=C1[C@@H](c1c[nH]c3ccccc13)Nc1ccccc1N2 21223420 MKDXKLPBPOAZEA-CHAGWJKLSA-N 439.946 6.801 30 10 IKEE COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2O)cc1OC 21224048 LTMVJUGNGHMDSS-SOKVYYICSA-N 442.515 5.389 30 10 IKEE COc1ccccc1N/C(=N\C(=O)c1ccccc1Cl)NCCc1c[nH]c2ccccc12 32943168 JPUNZOQIHFQMGV-UHFFFAOYSA-N 446.938 5.271 30 10 IKEE CC/N=C1/S/C(=C\c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)C(=O)N1CC 33349892 JFBIQWUQAAUWBX-PJUILTFESA-N 428.863 5.931 30 10 IKEE Cc1ccc(NC(=O)Nc2ccc(N3CCCN(Cc4ccccc4C#N)C3=O)cc2)cc1 34737066 YAKPNOKDKXSTHE-UHFFFAOYSA-N 439.519 5.343 30 10 IKEE C/C(=N/OCc1cccc(C)c1)c1cc(-c2ccc(F)cc2)n(-c2ccccc2F)c1C 35843424 XCJZOJHUHJDEGQ-FSGOGVSDSA-N 430.498 6.980 30 10 IKEE CCc1ccc(NC(=O)[C@@]23CC[C@@](C)(/C(=N\OC(=O)c4ccc(C)cc4)C2)C3(C)C)cc1 38288248 ZLCZDUHPTFAKLQ-GLLGEUJBSA-N 432.564 5.925 30 10 IKEE C=CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cccc(Cl)c2)c1 39872792 OHYXBQPNOJXRDI-HSZRJFAPSA-N 443.886 5.761 30 10 IKEE N#Cc1c2c(c(N3CCN(c4ccc(Cl)cc4)CC3)n3c1nc1ccccc13)CCCC2 47163503 NJQVPYUZZXYAIO-UHFFFAOYSA-N 441.966 5.218 30 10 IKEE CCOc1cc(/C=N\n2c(S)nnc2-c2ccccc2)cc(Cl)c1OCC(C)C 169911987 DIQZTWASAHOEMZ-FMCGGJTJSA-N 430.961 5.203 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2cc(C)cc(C)c2)cc1 169922662 PAZNIJSCYWXIMQ-OAQYLSRUSA-N 448.544 5.168 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2cccc(C)c2)c1 169930909 LFLRLMUBXQGUTH-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CCN1C(=S)N[C@H](c2cccc(OC)c2OCc2cccc(Cl)c2)C(C(C)=O)=C1C 169933323 IDWCOTDYURNYRP-OAQYLSRUSA-N 444.984 5.042 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2cc(F)ccc2F)c1 169971639 LQHQOUVUFSKOEZ-HSZRJFAPSA-N 433.454 5.673 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccccn2)cc1Cl 169996434 QFSGEEBXMRHODS-HXUWFJFHSA-N 439.298 5.480 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2cccnc2)cc1 170002600 ZGHJMEIFRBUBHU-DEOSSOPVSA-N 426.516 5.550 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@@H]1c1ccncc1 170022424 GEGIRMQAFAHJLQ-QHCPKHFHSA-N 432.907 5.145 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(O)c(Cl)c1)c1cccc(Cl)c1 170041433 PKEKUVQHFBPFQR-IBGZPJMESA-N 444.270 5.071 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(F)cc2)cc1 170063492 TYAWFDKJSCIKOP-HSZRJFAPSA-N 426.447 5.043 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1cccc(C)c1 170147457 FIYFHLHNQYMVKU-FQEVSTJZSA-N 442.353 5.526 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2cccs2)c(C)c1 170160880 AYDHUUPGNGVDTD-JOCHJYFZSA-N 431.513 5.083 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccccc2)cc1 170224436 ZCUBGUHKJIKLKM-CRICUBBOSA-N 439.511 5.355 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccccc1)c1ccc2c(c1)CCCC2 170226490 XNDNKCBYLKCMSC-DEOSSOPVSA-N 443.930 6.002 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccccc2)cc1C 170226948 VUUXPQCYAROJHC-QHCPKHFHSA-N 447.918 5.830 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2C2CCCC2)cc1 170246335 YLFGQTMXGLEHPJ-SSOJOUAXSA-N 445.559 5.654 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)c(C)c2)[C@@H]1c1c[nH]c2ccccc12 170255433 FPHNZQOCEOEECJ-DEOSSOPVSA-N 446.547 5.644 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2C2CCCCC2)cc1 170266559 FQJHTCRIJBMNNQ-XMMPIXPASA-N 449.547 5.177 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)C[C@H](C)O3)=C(O)C(=O)N1C1CCCCC1 170275545 VTJVRHHNOMKWMJ-XDHUDOTRSA-N 431.532 5.229 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2sccc2C)c1 170314404 IUFMAMCGQDYKKH-OPAMFIHVSA-N 445.540 5.471 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2sccc2C)cc1 170315178 MPKYGHFQJYXWKA-OAQYLSRUSA-N 429.497 5.894 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1Cc1ccncc1 170317295 OCQYVRLETJTNGM-JOCHJYFZSA-N 440.524 5.383 30 10 IKEE CCCCCCCCCOc1ccc(C(=O)Sc2ccc(CCCCC)cc2)cc1 206847553 QQAHMTUEETYZFT-UHFFFAOYSA-N 426.666 8.481 30 10 IKEE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/Oc3ccc(C)cc3C2=O)c(C)c1 213993646 ZLMHCBOMBSFMPW-WPWMEQJKSA-N 448.522 6.337 30 10 IKEE CCCC[C@@H]1S/C(=N/N=C/c2ccc(OC)c(OC)c2)N(Cc2ccccc2C)C1=O 229647651 XUIROGDAGSHYTR-SNPIYUIBSA-N 439.581 5.037 30 10 IKEE Cc1ccc(-c2csc3ncnc(NN=Cc4cc(Br)ccc4O)c23)cc1 252593024 BIADEPGWLZNDBS-UHFFFAOYSA-N 439.338 5.581 30 10 IKEE Cc1cccc(N=C2S/C(=C3/Sc4ccccc4N3C)C(=O)N2Cc2ccccc2)c1 254449954 JKAFXXMAVDDEAU-CJKMRZRNSA-N 443.597 6.169 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3)cc2C=Nc2ccc(C(=O)O)cc2)cc1OC 254734999 NLFOMRFFNPDBEH-UHFFFAOYSA-N 427.460 5.005 30 10 IKEE CCOC(=O)Nc1sc(NN=Cc2ccc(OC)c(OC)c2)nc1-c1ccc(C)cc1 263629636 GCYUBPBECAKGEB-UHFFFAOYSA-N 440.525 5.150 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccc(OC(C)=O)cc1 526806985 BEQLTPOINXJCFG-OYKKKHCWSA-N 442.972 5.374 30 10 IKEE CC(C)(C)c1ccc(S(=O)(=O)N(CCCC#N)c2ccc(N3CCCCC3)cc2)cc1 586253389 UFBRQQVWEMRQTM-UHFFFAOYSA-N 439.625 5.473 30 10 IKEE COc1nsc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)c1Br 690150847 JOTWMJBOUUQRFN-GFCCVEGCSA-N 442.310 5.060 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCc2ccccc2C1 698482079 LOPRBAQLUYKXCT-JOCHJYFZSA-N 427.342 5.642 30 10 IKEE CCOC(=O)[C@@H](Oc1ccc2c(c1)O/C(=C/C=C\c1ccccc1)C2=O)c1ccccc1 1772721809 QNJSQLOKZOIRFR-UQYADPPJSA-N 426.468 5.542 30 10 IKEE Cc1ccc(-n2c(C)cc3c2CC(C)(C)CC3=NOC(=O)c2cccc([N+](=O)[O-])c2)cc1C 1772728292 DROCTYFEWGUBKA-UHFFFAOYSA-N 445.519 5.844 30 10 IKEE C=CCOc1ccc(/C=C2/SC(=Nc3ccncc3Cl)N(c3ccccc3)C2=O)cc1 1772736393 KSDHBJFBDSGCBA-UGIGCIEISA-N 447.947 6.108 30 10 IKEE CCc1ccc(/C=C2/SC(=Nc3ccncc3Cl)N(C3CCCCC3)C2=O)cc1 1772738900 XJOHZVKHPRMAJW-OMYHDSEFSA-N 425.985 6.234 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc3c(OC(=O)c4ccc(F)c(F)c4)cccc23)c1 1858930216 YCFJWVLSKKERMW-UHFFFAOYSA-N 428.394 5.461 30 10 IKEE C=CCOC(=O)c1sc(NC(=O)c2cc(C(C)(C)C)nc3c(Cl)cccc23)nc1C 1859644799 ZIBQBGFIUXHLOR-UHFFFAOYSA-N 443.956 5.546 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)c2)c1 1860133796 SXCHBNJVQMQCOU-UHFFFAOYSA-N 440.286 5.135 30 10 IKEE CCCOc1ccc(/C=C/C(=O)C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1OC 1860636986 BFSOJDGYGJDELR-JQIJEIRASA-N 443.543 5.295 30 10 IKEE O=C(/C=C/c1cc(F)ccc1F)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1 1860731390 NMZBSCMEXTWLBY-KGVSQERTSA-N 427.834 5.418 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)Cc1ccc(OCCC)c(C)c1 1860984477 KGEIBZMIAXOESQ-QHCPKHFHSA-N 432.649 5.478 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(C(C)C)cc1 1862381096 ROJUBLVJZCWYKB-SPLOXXLWSA-N 446.374 6.494 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2ccc(C)cc2)cc1 1862389656 KRDOKAUOMHBUIU-DEOSSOPVSA-N 435.564 5.079 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc(Br)c1 1862440211 VBAJLNGGJSDEBR-SFHVURJKSA-N 448.744 5.481 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccc(F)cc2)c1 1862478850 SAOAVAVJRFFNPJ-DEOSSOPVSA-N 445.490 5.311 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccc(C(=O)O)cc2)cc1 1862478913 TWBGDKVJGQNLDD-QHCPKHFHSA-N 445.515 5.162 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccccc1F 1862490182 PHICKJIBYSSZBF-CYFREDJKSA-N 437.555 6.380 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(C(C)(C)C)cc2)c1 1862493887 ABMPUZDOKGXZDG-URXFXBBRSA-N 447.575 5.358 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCCC2)cc1 1862494513 CDQNVKKIVZKNHE-RUZDIDTESA-N 447.575 6.003 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc(C(C)C)cc2)ccc1F 1862503565 AAZQKTNHXZXTCT-YRSQORNKSA-N 449.566 6.415 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccccc2C)cc1 1862534452 UBIRXIJWHUYUEG-VWLOTQADSA-N 443.518 5.518 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1862540490 OUIZSQGWGHQLLL-RBZFPXEDSA-N 442.899 5.187 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862555466 FHTMGSRWVPDPDE-BXKMTCNYSA-N 426.516 5.171 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(F)cc1F 1862595500 MYXPDHBIFJIIDJ-JOCHJYFZSA-N 443.490 5.609 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1cccc(OCCC)c1 1862621967 CCAOYLYRRBPGML-QHCPKHFHSA-N 433.548 5.537 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)cc2)cc1 1862662648 JXYPMKCUKDDHAL-HSZRJFAPSA-N 446.934 5.637 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2Cl)c1 1862675961 XNOMBILCRBQFRN-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2C2CCCC2)cc1 1862707898 IFMNMIMUKKNJEB-DEOSSOPVSA-N 449.547 5.395 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)c1 1862713782 WKEMDVBJHUVXRH-HRFSGMKKSA-N 447.534 6.488 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1C1CCCCCC1 1862713902 ZKZOKUPBYZUAMD-AREMUKBSSA-N 439.555 6.449 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccc(Cl)c1 1862725811 SFZYWKXTFOXTST-XDHUDOTRSA-N 445.946 6.384 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccc2ccccc12 1862756607 OUEVBWUATTUCDR-HSZRJFAPSA-N 444.487 5.372 30 10 IKEE Cc1ccc(NC2=C(c3ccc(F)cc3F)C(=O)N(c3ccccc3C#N)C2=O)cc1Cl 1862954056 ZAWPVJZTIBWACM-UHFFFAOYSA-N 449.844 5.195 30 10 IKEE CCCOc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N([C@H]3CCCC[C@H]3C)C2=O)cc1 1863344329 ZWRPNZLKZFSUEF-JPYJTQIMSA-N 443.547 5.118 30 10 IKEE CCCCCCCCNC1=C(c2ccc(C)cc2)C(=O)N(Cc2ccc(Cl)cc2)C1=O 1863615424 TURZMGDRUQBMHL-UHFFFAOYSA-N 438.999 5.879 30 10 IKEE CCCCCCCCNC1=C(c2ccc(F)c(C)c2)C(=O)N(Cc2ccccc2F)C1=O 1863789573 OFQHOPAFBVQNNX-UHFFFAOYSA-N 440.534 5.503 30 10 IKEE N#Cc1cc(Br)c(NC(=O)c2ccc(Cl)c(Cl)c2)c(Br)c1 1865866413 WTCVPZKVEJZARM-UHFFFAOYSA-N 448.929 5.642 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N2CCCCCC2)nn1-c1ccc(Cl)cc1 1869998066 KUDPKWPWAXNUAO-UHFFFAOYSA-N 432.012 5.990 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc(Cl)c2)cn1Cc1ccccc1C 1870408833 KKYHGJYCKMLDOY-UHFFFAOYSA-N 448.994 5.611 30 10 IKEE CCCCCCCCCCn1cc(OCCC(=O)OCC)c(=O)cc1CN1CCCCC1 1870452116 KNELKFDMLIKTBJ-UHFFFAOYSA-N 448.648 5.307 30 10 IKEE CCCCCCCCn1cc(OCc2c(C)noc2C)c(=O)cc1CN1CCC(C)CC1 1870566028 ZLPQMCFKYYPNIW-UHFFFAOYSA-N 443.632 5.625 30 10 IKEE CCCCCCCCn1cc(OCCCCCC)c(=O)cc1CNc1ccc(F)c(F)c1 1871125192 PACBKSJBOGBXPY-UHFFFAOYSA-N 448.598 7.058 30 10 IKEE C=CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(C(C)(C)C)cc1 1871252093 KGKNMYSQTNKTIC-UHFFFAOYSA-N 427.548 5.395 30 10 IKEE O=C(/C=C/c1ccco1)Oc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O 1871369362 HWGOWOZGNJBBRN-NKTOACBESA-N 437.245 5.277 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OC(=O)c4cc5ccccc5oc4=O)c3C)C2=O)c1 1871379228 MLPAHVSHNCLESD-QRVIBDJDSA-N 438.435 5.245 30 10 IKEE CCOc1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871379336 BVIJLAGYXYPTKZ-USQUCKOTSA-N 444.458 5.768 30 10 IKEE CCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccnc2)C3=O)cc1 1871380091 VWHKKFIMJZQGTI-DIBFYORYSA-N 427.456 5.024 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)ccc2C1=O 1871381431 UDODDMBUALNGTJ-HMSZGEISSA-N 427.412 5.138 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc(OCC(C)C)cc3)ccc2C1=O 1871382733 CNZKBKAOBXLROA-QFEZKATASA-N 444.483 5.565 30 10 IKEE O=C1/C(=C/c2ccncc2)Oc2c1ccc(O)c2CN(C1CCCCC1)C1CCCCC1 1871392912 BRULXVAMKCQIMW-UQQQWYQISA-N 432.564 5.871 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)c1 1871412491 TTYAJTYXJWRLON-GHRPQRKGSA-N 447.918 5.979 30 10 IKEE Cc1c(OCc2ccc(C(=O)OC(C)C)cc2)ccc2c1O/C(=C\c1ccc(F)cc1)C2=O 1871413791 BNFVYCNHAQDTTF-OYKKKHCWSA-N 446.474 5.895 30 10 IKEE Cc1c(OCCC(=O)Nc2ccccc2)ccc2c1O/C(=C\c1ccccc1Cl)C2=O 1871447597 ZBRQKSUYLTXBFU-JCMHNJIXSA-N 433.891 5.672 30 10 IKEE CCCCCCCCN=c1nc(N(C)CCCC)[nH]c(=Nc2cccc(C(C)(C)C)c2)[nH]1 1871642803 WDMNLTCZBPYXQX-UHFFFAOYSA-N 440.680 5.765 30 10 IKEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1cc(C)ccc1C 1871839418 CHOQEEMHERGMSV-HSZRJFAPSA-N 442.625 5.411 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 1872232963 KAHJYNAPPJLNRD-QFIPXVFZSA-N 449.016 5.413 30 10 IKEE N#C[C@@H](C(=O)COc1cc(Cl)ccc1Cl)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1872760353 MPJPNUUKWXOTEU-AWEZNQCLSA-N 448.287 5.280 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccc(CC)cc3)n2)cc1 1872767913 DRMVSJBGDIICFX-QFIPXVFZSA-N 434.561 5.807 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(C(C)C)cc3)n2)cc1Cl 1872786014 YVPAHSVQJIUHHR-IUYMFKLXSA-N 436.964 6.485 30 10 IKEE CCCCCCCCNC(=O)c1ccc(CN2CCN(c3cccc(Cl)c3)CC2)cc1 1872884677 PKZCMHAYZLRWNL-UHFFFAOYSA-N 442.047 5.753 30 10 IKEE Cc1ccccc1CSc1nnc(C(C)C)n1/N=C/c1c(C(=O)O)[nH]c2ccccc12 1873505562 TZJUQRLNPIOCRI-WYMPLXKRSA-N 433.537 5.064 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)NCCCCc1ccccc1)n2CC(C)C 1873577285 KFGPMBDMLVYBFB-UHFFFAOYSA-N 445.611 5.018 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C)c2C)cc2c(NCCCCCCCC)ncnc21 1873621466 RYHCQSMEFPLSTJ-UHFFFAOYSA-N 433.600 6.259 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(CC)cc1)n2CCCC 1873621468 RZXGDQCIAIVWPG-UHFFFAOYSA-N 449.643 6.819 30 10 IKEE Cc1c(CCC(=O)Nc2ccccc2C#N)c(=O)oc2cc3oc4c(c3cc12)CCCC4 1873868871 UXXSICZQUMZTDR-UHFFFAOYSA-N 426.472 5.169 30 10 IKEE CCOc1cccc(/C=N/n2c(COc3ccc(C)cc3C(C)(C)C)nnc2SC)c1 1874201724 QFNNBLOOOHHUBT-MFKUBSTISA-N 438.597 5.466 30 10 IKEE CCSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1cn(C)c2ccccc12 1874222853 GCHCNFMRZUUFAM-YZSQISJMSA-N 447.608 5.338 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(F)cc3)n2/N=C/c2ccccc2O)c1 1874378434 MXQSWHYMZCOQPK-CVKSISIWSA-N 432.524 5.197 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccc(F)cc3)n2/N=C/c2ccccc2O)c1 1874379930 SXELAGQPWWDCQP-JFLMPSFJSA-N 446.551 5.505 30 10 IKEE Fc1ccc(Cc2nnc(SCc3cccc4ccccc34)n2/N=C/c2ccc[nH]2)cc1 1874381464 UNLOXDGMQLIXFZ-LQKURTRISA-N 441.535 5.664 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(COc3ccccc3)nnc2SCc2ccccc2F)c1 1874384165 BPUBLVNWTHMKHX-VULFUBBASA-N 448.523 5.185 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccccc3F)nnc2[C@@H](C)c2ccccc2)cc1 1874395341 KESYOIPTCMPRII-NLTKLDOMSA-N 446.551 5.752 30 10 IKEE Oc1cccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccc(Cl)cc2)c1 1874408699 LBGNZSJHTSIDOI-MFKUBSTISA-N 441.000 5.934 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2[C@H]2CCCO2)cc1 1874451388 YKVFLGNLRIFPTR-PFRKPPGBSA-N 441.000 6.081 30 10 IKEE C=C(C)CSc1nnc(C(F)(F)F)n1/N=C/c1ccc(OCCC)c(OCC)c1 1874460581 VNRPCDVFMTYYAN-FOKLQQMPSA-N 428.480 5.035 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CCC)nnc2SCc2ccccc2Cl)cc1 1874508147 OLWROQDJGCOABU-PCLIKHOPSA-N 443.016 6.237 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc(N(C)C)cc1 1874517134 MDXBZPPTKOHJRZ-WYMPLXKRSA-N 448.423 5.949 30 10 IKEE O=C(CSc1nnc(C2CC2)n1/N=C/c1ccc(Cl)c(Cl)c1)Nc1ccccc1 1874517293 XBYJOPANKLQZIW-FOKLQQMPSA-N 446.363 5.075 30 10 IKEE C=C(C)CSc1nnc(C2CC2)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1874519573 ZVOIQLTUVXVTBY-DHRITJCHSA-N 438.984 5.938 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1OCCc1ccccc1 1874573287 GACZHAUJLFRZDP-JLHYYAGUSA-N 427.327 6.520 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1OCc1cc(C)ccc1C 1874579633 ZAZJZINUIUKFKS-ZRDIBKRKSA-N 441.354 7.094 30 10 IKEE Cc1cc(C(=O)/C=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)ccc1F 1874580162 AAMLQJQCOHQZSI-WYMLVPIESA-N 441.458 6.671 30 10 IKEE O=C(/C=C/c1cc(Br)ccc1OCc1cccc(F)c1)c1ccc(F)cc1 1874583849 JRPPADNIRFIZBS-UXBLZVDNSA-N 429.260 6.202 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OCC(=O)N[C@@H](C)c3ccccc3)c2)cc1C 1874600081 RNTUOJXWCZRSCL-ARKBFRDHSA-N 443.543 5.464 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)cc2)cc1 1874604158 YCOKOOSJGUAAIX-WOJGMQOQSA-N 439.555 6.041 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 1874616003 GUURJIGPMDXDPV-JLHYYAGUSA-N 435.907 5.571 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OCC(=O)Nc2ccc(C)c(C)c2)cc1 1874619986 CPVLRTNKZVCHIW-UKTHLTGXSA-N 429.516 5.534 30 10 IKEE O=C(CCc1ccccc1)Oc1cccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c1 1874693256 VYQXIOLQVJVQMZ-XSFVSMFZSA-N 432.519 6.788 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCOc3ccccc3)c2)cc1 1874695971 BQVBDOUUZBNULX-OBGWFSINSA-N 428.528 6.300 30 10 IKEE C[C@H](C(=O)Oc1cccc(/C=C/C(=O)c2cccc(Br)c2)c1)c1ccccc1 1874698312 PVXGJIPWHUUPOY-CLVCIHKQSA-N 435.317 6.054 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(Cl)cc3)c2)cc1 1874700694 HYKPEQJDUQJVPZ-CXUHLZMHSA-N 434.919 6.309 30 10 IKEE COc1ccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)c2)cc1 1874711310 VIGNNHRSUBSJGW-RVDMUPIBSA-N 442.555 6.363 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(C(C)C)cc2)CSc2nnc(COC)n21 1874873705 VJKLDQZCIYRRRB-NRFANRHFSA-N 444.645 5.610 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccccc2)CSc2nnc([C@H]3CCCO3)n21 1874948724 ZNNYHPUFPIOHRA-WOJBJXKFSA-N 428.602 5.192 30 10 IKEE CCCCCCCCC(=O)N1[C@H](C(C)(C)C)CSc2nnc(Cc3ccc(F)cc3)n21 1874988335 NHLIOSMKXHWDMG-FQEVSTJZSA-N 446.636 5.744 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3)c(OC)c2)cc1 1875107743 HEGNGWNKFJCKSU-QGOAFFKASA-N 442.555 6.472 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Br)c1OC(=O)CC 1875110395 IUZAGVLDFQZQQS-MDZDMXLPSA-N 437.717 5.713 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)Cc1cccc2ccccc12 1875128890 ZYIZCJZYZFCVBD-BMRADRMJSA-N 436.507 6.283 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2OCC)c1 1875136664 FQPKORRPLKAIAU-RVDMUPIBSA-N 430.500 5.908 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(Cl)c2)c1 1875139352 DSFRJPPRNDXDDD-VZUCSPMQSA-N 435.863 5.980 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OC(=O)CC2CCCCC2)cc1 1875179392 IDACTMRGVGYICS-JLHYYAGUSA-N 426.940 6.429 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc(Cl)c1OC(=O)C(C)C 1875184872 VOIOWQSKYMVMKE-PKNBQFBNSA-N 428.956 6.412 30 10 IKEE CC[C@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1880062877 CDVANYGDEITHLN-DVECYGJZSA-N 429.561 5.105 30 10 IKEE C(=NN(Cc1ccccc1)Cc1ccccc1)c1cn(Cc2ccccc2)c2ccccc12 1923710894 VBESIRKOTFBAMD-UHFFFAOYSA-N 429.567 6.726 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 1944696495 AHWPULMHDVMZQY-LPHOPBHVSA-N 433.524 5.106 30 10 IKEE CC(C)(C)OC(=O)NCC[C@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C1 1949136259 XINXAGINDCMSSF-HOYKHHGWSA-N 429.561 5.405 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@]1(C#N)CCN(Cc2ccccc2)CC1(C)C 2037436023 YJCJILFRMFLHIM-SANMLTNESA-N 437.559 5.762 30 10 IKEE N#CC1([C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCSCC1 2071355089 LPTYRWRPFRFYRC-SANMLTNESA-N 445.584 5.915 30 10 IKEE Cc1ccc([C@H](n2nc(C(F)F)c(C#N)c2I)C2(C)CC2)cc1C 2079014818 JENSYDXAPHIUCG-HNNXBMFYSA-N 441.263 5.303 30 10 IKEE C[C@@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)F)c(C=NO)c1Br 2079993572 UFTLOCDIOTXKLE-LURJTMIESA-N 430.146 5.159 30 10 IKEE COc1ccc([C@H](n2nc(C(F)F)c(C=NO)c2Br)C(C)(C)C)cc1C 2080043015 OLPODYUOCIPUEH-HNNXBMFYSA-N 430.293 5.344 30 10 IKEE Cc1ccc2c(c1)CC[C@]2(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2163706818 QAMQSZMQJAYLAP-JOCHJYFZSA-N 427.342 5.864 30 10 IKEE N#Cc1cc(F)c(N2[C@H]3CCC[C@H]2CN(Cc2ccccc2)CC3)cc1Br 2166726417 ZYJSEMYXUUJVDB-OALUTQOASA-N 428.349 5.093 30 10 IKEE CC(C)N(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(C#N)cc1Br 2174812324 JXCXFSYJJDPDCD-QGZVFWFLSA-N 436.394 5.183 30 10 IKEE CCCN[C@H](CC#CC1CCCC1)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2261127894 GHBPBTWMLHJWCN-RPBOFIJWSA-N 442.644 5.439 30 10 IKEE C=CCCC1(C(=O)c2c(F)cc(Br)cc2F)CN(C(=O)OC(C)(C)C)C1 2266236810 VIQDWUAHPDQFIK-UHFFFAOYSA-N 430.289 5.113 30 10 IKEE C=CCCC1([C@H](NC)c2ccc(Cl)cc2Br)CN(C(=O)OC(C)(C)C)C1 2266309672 HMCJRGQYLGVQTC-QGZVFWFLSA-N 443.813 5.566 30 10 IKEE CC1(C)OB(c2cccc(F)c2COc2cccc(OCc3ccccc3)c2)OC1(C)C 2273776981 HSRNNIILHQAEGR-UHFFFAOYSA-N 434.316 5.283 30 10 IKEE CC(C)(C)OC(=O)NC[C@H](C(=O)C#Cc1ccc(Br)cc1)C1CCCCC1 2296281009 GRTWMOVKUIZYNV-IBGZPJMESA-N 434.374 5.091 30 10 IKEE O=C1C(=Cc2ccc(Br)s2)CCCC1=Cc1ccc(Br)s1 2297110551 TVEAESGOBIRZPF-UHFFFAOYSA-N 444.213 6.555 30 10 IKEE Cc1cccc(N=C2NC(=O)C(=Cc3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)S2)c1 2297462708 ALIODALURXVDNP-UHFFFAOYSA-N 439.943 6.087 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C(=O)C=Cc3ccc(C(C)C)cc3)cc2)cc1OC 2314429688 MHFGVUWYQLBCNG-UHFFFAOYSA-N 430.500 5.943 30 10 IKEE C=CCOc1ccc(C=C2SC(=Nc3nnc(C)s3)N(C3CCCCC3)C2=O)cc1 2314547788 MNNSYXSTFFCTGL-UHFFFAOYSA-N 440.594 5.348 30 10 IKEE CC(=C1SC(=Nc2cccc(C(=O)O)c2)N(c2ccccc2)C1=O)c1ccc(F)cc1 2314548572 VOQPFHCAOYMABQ-UHFFFAOYSA-N 432.476 5.723 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1c[nH]c2ccc(OC)cc12 2321773194 KHKYAMRUTAEOCM-UHFFFAOYSA-N 439.972 5.548 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCc3c(F)cccc3Cl)cc(C)c2C1=O 2321805109 APJPIYGCGGKUNQ-UHFFFAOYSA-N 438.882 6.381 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(N(C)C)cc1)O3)CN([C@H](C)c1ccccc1)CO2 2322092557 KZFBHCFEVWEJBK-LJQANCHMSA-N 440.543 5.590 30 10 IKEE CCCCOCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(Cl)cc1)C3=O 2322145549 MAMOXUMOBPZGJL-UHFFFAOYSA-N 441.955 5.623 30 10 IKEE COc1cccc(C=C2Oc3c(ccc4c3CN([C@H]3CCCC[C@H]3C)CO4)C2=O)c1OC 2322146012 MBXIWYLIWLHYQS-UZLBHIALSA-N 435.520 5.051 30 10 IKEE C=C(C)COc1ccc(Br)cc1C=CC(=O)c1ccc(-c2ccccc2)cc1 2322290847 VZUBTABVDAEUFU-UHFFFAOYSA-N 433.345 6.967 30 10 IKEE COc1cccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)c1OCc1c(F)cccc1Cl 2322312262 FOINBPUOJNYXLK-UHFFFAOYSA-N 441.842 5.871 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cc(Cl)ccc1OCc1cccc(F)c1 2322959137 GFYGGKDOMQQQAD-UHFFFAOYSA-N 436.954 7.560 30 10 IKEE CC(C)=C1Oc2cc(OC(=O)C=Cc3ccc(OCc4ccccc4)cc3)cc(C)c2C1=O 2323018984 RYKCDJQJMKTHBQ-UHFFFAOYSA-N 440.495 6.062 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OCC(=O)Nc1ccccc1F 2323203734 ZXXWFUFYDGIGDK-UHFFFAOYSA-N 447.506 5.871 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OCC(=O)Nc1ccc(C)c(C)c1 2323280153 YEAKVZQLTJQZPA-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE CC(C)(C)c1cc(C=Nn2c(S)nnc2CCc2ccccc2)cc(C(C)(C)C)c1O 2323503751 CEHDCEHXOWZEBO-UHFFFAOYSA-N 436.625 5.535 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)c1 2323854330 LSYOZAICKWITFQ-UHFFFAOYSA-N 440.495 6.210 30 10 IKEE CCCOc1ccc(C=NNc2nc(-c3ccc(OC)cc3OC)cs2)cc1Cl 2323865198 UEUBIYLWJMSQMI-UHFFFAOYSA-N 431.945 5.716 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc([N+](=O)[O-])c1OCc1ccccc1C 2323959454 IZTGKZFXAVVUPM-UHFFFAOYSA-N 445.515 6.394 30 10 IKEE COc1cccc(C=C2Oc3cc(OCCCOc4ccccc4)ccc3C2=O)c1OC 2324234410 XNKMMKIRVCACGK-UHFFFAOYSA-N 432.472 5.168 30 10 IKEE CCCCCCOc1ccc2c(c1)OC(=Cc1cc(Br)ccc1OC)C2=O 2324261515 XTUVAKOPGAOUNP-UHFFFAOYSA-N 431.326 6.033 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2ccc(OCc3ccc(F)cc3)cc2)cc1Cl 2324422062 FIBYXJHURHZAAF-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OCc1cccc2ccccc12 2324455404 JNKZVWQFCLNIEO-UHFFFAOYSA-N 436.551 7.330 30 10 IKEE CCc1ccc(OCCCOc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2324658245 MTDBVMPNFYGAKO-UHFFFAOYSA-N 434.919 6.367 30 10 IKEE COC(=O)c1cccc(COc2ccc3c(c2)OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)c1 2324745051 DTSPKQBWHVGZBQ-UHFFFAOYSA-N 442.511 5.966 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccc(Cl)cc4)c3C)C2=O)cc1 2325513553 BJGUSXCVJRQWML-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE O=C(COc1ccc(Cl)cc1)Oc1cccc(C=CC(=O)c2ccc(F)c(F)c2)c1 2325753546 ZPRNNXCVMSQGQK-UHFFFAOYSA-N 428.818 5.499 30 10 IKEE CC(C)(C)c1ccc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccco2)cc1 2326339687 GVZULCMLFDWLIW-UHFFFAOYSA-N 444.604 6.128 30 10 IKEE Cc1cccc(C=Nn2c(CCc3ccccc3)nnc2SCc2cc(C)cc(C)c2)c1 2326418108 BXLGFTPXTJMKRU-UHFFFAOYSA-N 440.616 6.163 30 10 IKEE Cc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccc(C)cc2C)cc1 2326460677 APIKEQZRCUCGLO-UHFFFAOYSA-N 440.616 6.163 30 10 IKEE C=CCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1cccc(Cl)c1 2327288835 GAOXKUFPFJRGLL-UHFFFAOYSA-N 426.973 5.596 30 10 IKEE CCCSc1nnc(COc2ccccc2OC)n1N=Cc1c(F)cccc1Cl 2328299385 FRYQUPWANFVBKI-UHFFFAOYSA-N 434.924 5.043 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2ccccc2)cc1 2328563430 YLOSYGBLAOWHQW-UHFFFAOYSA-N 442.588 5.751 30 10 IKEE C=CCSc1nnc(CCc2ccc(OC)cc2)n1N=Cc1cccc(OCCC)c1 2328579734 AVXJVQBQDTYUQG-UHFFFAOYSA-N 436.581 5.021 30 10 IKEE COc1cc(C=NNc2ccnc(Cl)n2)ccc1OCc1ccc(Cl)c(Cl)c1 2328841505 LDFOCTRKUOWRSX-UHFFFAOYSA-N 437.714 5.470 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2)n1N=Cc1ccc(Cl)cc1Cl 2330193599 IYZYQQXKFWNZSC-UHFFFAOYSA-N 431.392 5.921 30 10 IKEE CC(C)(C)Cc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccccc1 2330860290 PUVHXGCEIVQAIT-UHFFFAOYSA-N 433.408 6.348 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)c(F)c3)c(OC)c2)cc1C 2330880980 NZBOOJXLHHSZON-UHFFFAOYSA-N 438.426 5.406 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)CCCOc2c(C)cccc2C)cc1 2331051478 YZDKNJJSGMXKMK-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Br)c1OC(=O)C1CC1 2331129818 KUFHWACFJQUHHE-UHFFFAOYSA-N 435.701 5.323 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)cc([N+](=O)[O-])c1OC(=O)C(F)(F)F 2331150224 NMBSRQLSZGEUAS-UHFFFAOYSA-N 443.761 5.011 30 10 IKEE CSc1nnc(C(C)(C)C)n1N=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2331356182 YZNLZKBREPRTGT-UHFFFAOYSA-N 449.407 6.066 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc([N+](=O)[O-])c1OC(=O)CC(C)C 2331500349 YJDUUMPPYVQJNE-UHFFFAOYSA-N 439.508 5.965 30 10 IKEE O=C(Cc1ccc(F)cc1F)Oc1ccc(C=CC(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 2331527688 QLGIQPOUCOHSHG-UHFFFAOYSA-N 441.361 5.056 30 10 IKEE Fc1ccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C2CCC2)cc1 2331534329 OFPQPYVBEYSXEA-UHFFFAOYSA-N 435.355 6.166 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(F)cc2)cc1 2331633282 AQPSDVPEUTXJRW-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE CCCc1nnc(SCC)n1N=Cc1ccc(OCc2ccc(C)cc2)c(OCC)c1 2331645335 HCRJZRLTWKEPLF-UHFFFAOYSA-N 438.597 5.511 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1cncc(C)c1 2331657776 KWXUFDRNJNOPNL-UHFFFAOYSA-N 429.516 5.748 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)COCc2ccccc2)cc1 2331660150 MMTJFRUPXQOIPV-UHFFFAOYSA-N 430.500 5.330 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)Cc1ccc(Cl)cc1 2331708649 FKDRNTIZSJDSET-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)[C@H]2CCCO2)c(Cl)c1 2331755358 DRFJZCNRQKZQNK-HXUWFJFHSA-N 435.303 5.291 30 10 IKEE COCC(=O)Oc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1Br 2331860629 ORSSBHAEPQWVEF-UHFFFAOYSA-N 444.108 5.204 30 10 IKEE CCCCCCOc1ccc(-n2nnc(C#N)c2NC(=O)C=Cc2ccc(C)cc2)cc1 2332188919 PUVFLIBSHFDXNL-UHFFFAOYSA-N 429.524 5.058 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)[C@@H]1C[C@H]1C1CCOCC1 2357746799 BCUNIMQAEPIXIL-OTWHNJEPSA-N 435.362 5.145 30 10 IKEE CC#CCN(C[C@@H](NCC)c1cc(Br)cc(C(C)C)c1)C(=O)OC(C)(C)C 2363125164 SUTLUYWLLXISOZ-HXUWFJFHSA-N 437.422 5.484 30 10 IKEE Cc1cc(OCc2ccc(B3OC(C)(C)C(C)(C)O3)c(Br)c2)ccc1Cl 2377329252 KDHPAIFFAVHNKB-UHFFFAOYSA-N 437.570 5.289 30 10 IKEE CC(=O)[C@@]12O[C@@](C)(c3ccco3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 4803609 PDWGBWJIJZYLQQ-SKCNUYALSA-N 438.564 5.337 30 10 IKEE biogenic,in-vitro C=C(C)CN1C(=O)[C@H](C)Oc2ccc(NC(=O)NC(C)(C)c3cccc(C(=C)C)c3)cc21 12236797 JGCIDUGENTYAJT-SFHVURJKSA-N 433.552 5.467 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)cc2Cl)cc1 20881561 FFTYQWGZIRBFIU-HNAYVOBHSA-N 444.358 5.787 30 10 IKEE Cc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1 21251160 FVTWYVQOZAWIGG-ILBGXUMGSA-N 437.539 5.578 30 10 IKEE N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1F 22145295 GJHMSCUNAQONKE-ISJGIBHGSA-N 437.449 5.249 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2c2nccs2)cc1 35420746 LARMWQFPCHDOAN-VKVQTHCXSA-N 444.556 5.623 30 10 IKEE C=CCN1C(=O)/C(=C(\C)c2ccc(OC)cc2)S/C1=N/c1nc(-c2ccccc2)cs1 39865924 WXTSKYOPFWWQPU-UDYMOMHISA-N 447.585 5.999 30 10 IKEE Cc1ccc(C)c(COc2cc(C)c3c(c2)O/C(=C\c2ccc(-c4ccccc4)cc2)C3=O)c1 41433649 MPXDIBGIYARGCT-RHANQZHGSA-N 446.546 7.474 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccccc2SCC)nnc1-c1ccc(F)cc1 59795711 GNECYTBJWMUAMM-UHFFFAOYSA-N 428.558 5.113 30 10 IKEE O=C1/C(=C/c2cccc(Br)c2)S/C(=N/c2nccs2)N1c1ccccc1 101097089 ADJAHZCJZYUKRU-ADXGTRPZSA-N 442.363 5.714 30 10 IKEE CCCCCCCOc1ccc(/C=C\[C@@]23N=C(O)CCN2c2ccccc2C3(C)C)cc1 102755753 RJNNANDABJZSRA-QBTDGFFPSA-N 432.608 6.903 30 10 IKEE Cc1c(OC(=O)/C=C/c2ccccc2)ccc2c1O/C(=C\c1cn(C)c3ccccc13)C2=O 103025025 OVYJDMMALFZLBV-YQQIJQLDSA-N 435.479 5.722 30 10 IKEE CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H](O)CNc1ccccc1 111438807 ZSQHZTSVIIYJNV-OGJPMFGRSA-N 431.661 7.040 30 10 IKEE N#Cc1cccc(Cn2c(Cc3ccccc3)nc3scc(-c4cccs4)c3c2=O)c1 169906221 KLNKHXASAJQNQK-UHFFFAOYSA-N 439.565 5.697 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@H]2c2cccc(OC)c2)cc1 169931487 KBEUXPGSHYYVHA-XMMPIXPASA-N 443.499 5.049 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2cccc(OC)c2)cc1 169931668 WIEUHJVGEKGGQR-NRFANRHFSA-N 448.544 5.114 30 10 IKEE CCOc1ccc(/C=N\Nc2nc(-c3c(C)cc(C)cc3C)cs2)cc1Br 169940688 CMCGCCUPBCYHNB-KSEXSDGBSA-N 444.398 6.343 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc(C)c2)cc1 169969399 VTBCSSDURIQWCZ-QHCPKHFHSA-N 447.918 5.830 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2C2CCCCC2)cc1 170031818 ORUMXNHXQKAVKC-DEOSSOPVSA-N 449.547 5.313 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccccc2)cc1 170048871 BVELLJZYUBWGNL-QHCPKHFHSA-N 442.471 5.501 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(O)cc2)cc1 170131707 JYMYEZARIGHGLC-QHCPKHFHSA-N 447.462 5.103 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(C(C)(C)C)cc2)=C(c2ccc(OCC(C)C)cc2)C1=O 170154126 LKOYNMHAZPHGQE-UHFFFAOYSA-N 432.564 5.397 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2cccnc2)cc1 170186780 OFCLBOJRMGOFLZ-XMMPIXPASA-N 436.467 5.026 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1cc2ccccc2o1 170235173 XUGSSTPIIKOYEO-JOCHJYFZSA-N 429.859 5.869 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@@H]1c1ccc(C(C)C)cc1 170245992 VQZHMVURODBXAY-DEOSSOPVSA-N 433.548 5.513 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@H]1c1ccc(Cl)c(Cl)c1 170246468 IXFHMEMYTLFQCF-LJQANCHMSA-N 448.346 5.607 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@@H]1c1c[nH]c2ccccc12 170255594 YQUYHFVZSAIFOX-DEOSSOPVSA-N 446.547 5.597 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccc2C)cc1 170270872 RNFISWPYSXZJEL-HSZRJFAPSA-N 431.463 5.316 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccc(C)o2)c1 170301635 WQDFPJVRVDKEDP-HSZRJFAPSA-N 431.488 5.386 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(C)o2)cc1 170302844 NKSUWNWKFDHSID-XMMPIXPASA-N 445.515 5.940 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2sccc2C)cc1 170315197 KZTMOVPACIBRSV-LJQANCHMSA-N 434.473 5.056 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2c[nH]c3ccccc23)cc1Cl 170384363 NVJCUQFCDAKKBA-QHCPKHFHSA-N 442.902 5.913 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=Nc2ccccc2)N1C1CCCCC1 252633836 WHAQREIOMFWERS-MJBUPYINSA-N 431.388 6.930 30 10 IKEE CCCCCC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C 504771565 XDVHIXRJLWUKRR-HYHJDXDTSA-N 440.624 6.136 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(C)cc2)cc1OC 526517706 SYTSVMIVEJXRKD-VWLOTQADSA-N 440.499 5.331 30 10 IKEE COc1cc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)cc2)cc(Cl)c1O 526773184 PIRHZDJRBZOZOB-OAQYLSRUSA-N 449.890 5.146 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1/N=C\c1c(OC)ccc2ccccc12 526798903 AEWQUDUCEBLKSE-ONUIUJJFSA-N 430.577 5.957 30 10 IKEE Oc1ccc2ccccc2c1/C=N\n1cnnc1SCc1ccc(Cl)cc1Cl 526823781 SQTBOWVVYMQUGT-VROXFSQNSA-N 429.332 5.618 30 10 IKEE CC(C)Oc1ccc(/C=N\n2cnnc2SCc2cccc(F)c2)cc1Br 526824364 BDNNYIJDOBWEGJ-RMORIDSASA-N 449.349 5.141 30 10 IKEE C=CCN(CCCOc1ccc(C)cc1)S(=O)(=O)c1ccc(CCCCCC)cc1 586180510 STUIXGBYEVOQMO-UHFFFAOYSA-N 429.626 5.764 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@](C)(C#N)COc1ccccc1 698486780 CGVYKSWYMWMXHM-NRFANRHFSA-N 431.330 5.552 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2cccc(Br)c2F)cc1 698965803 MCEZVMNZSSMCTP-QGZVFWFLSA-N 435.293 5.603 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c1ccc(F)cc1)C2 709360762 AHKGDTPIGWBXLF-TVVUZDRGSA-N 445.535 5.249 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(C)ccc(Br)c1F 721193491 PDKRCACNYDNCPI-APWZRJJASA-N 443.401 5.797 30 10 IKEE C=C1CCC(C[C@@H](NCC)c2ccc(Br)cc2NC(=O)OC(C)(C)C)CC1 724563887 RRQSPUNKPDBFNC-LJQANCHMSA-N 437.422 6.583 30 10 IKEE CN1C(=O)C[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)SC1=Nc1cccc(Cl)c1 725385685 PYFCTNRXJNGSJC-HNNXBMFYSA-N 442.755 5.237 30 10 IKEE O=S(=O)(Nc1nccs1)c1ccc(N=Cc2c3ccccc3cc3ccccc23)cc1 725422698 MUEKPDPCCIWOGJ-UHFFFAOYSA-N 443.553 6.001 30 10 IKEE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNc3cc(Cl)ccc3Cl)cc2)cc1 1084359645 ODVCCEHNYCQTHX-UHFFFAOYSA-N 435.332 5.516 30 10 IKEE O=C1/C(=C\c2ccc(Cl)cc2)SC(=NN=Cc2ccccc2)N1N=Cc1ccccc1 1084402126 NROCBNXIRZZCDF-VUTSYPSMSA-N 444.947 5.681 30 10 IKEE C=CCN1C(=O)/C(=C\C(Cl)=C\c2ccccc2)S/C1=N/c1ccc(O)cc1C(=O)O 1614234635 VTDNHPZJSIJIFQ-OLFURORZSA-N 440.908 5.003 30 10 IKEE O=C1/C(=C\c2ccc(O)cc2)S/C(=N/N=C/C=C/c2ccccc2)N1Cc1ccco1 1615304558 GSIBOBZPACPVGE-CVVCMMGTSA-N 429.501 5.157 30 10 IKEE CCN1C(=O)/C(=C\c2ccccc2OCc2ccccc2Cl)SC1=Nc1ccccn1 1772731857 REODKIAFDVOADB-ZJRBDENDSA-N 449.963 5.938 30 10 IKEE Cc1ccc(/C=C2/SC(=Nc3nc(-c4ccccc4)cs3)N(C3CCCCC3)C2=O)o1 1772735781 IBVFYBAEUKYJCJ-MALGGUPZSA-N 449.601 6.648 30 10 IKEE C=CCN(CC=C)c1cc(-c2cc3cnccc3c(NCc3ccc(F)cc3)n2)ccn1 1857832789 XRQNXVPDOSEGBQ-UHFFFAOYSA-N 425.511 5.621 30 10 IKEE CN(Cc1ccccc1)C(=O)Oc1cccc2c(NC(=O)c3cccc(C#N)c3)cccc12 1858954011 DCYPXHXAFNEBKA-UHFFFAOYSA-N 435.483 5.595 30 10 IKEE CCOc1ccc(-c2cc(C(=O)Nc3ccccc3C#N)nn2-c2ccc(OC)cc2)cc1 1859406822 FXOLMOLYGVEKBM-UHFFFAOYSA-N 438.487 5.071 30 10 IKEE C=CCOC(=O)c1sc(NC(=O)c2ccc3oc(-c4cccc(C)c4)nc3c2)nc1C 1859736905 BQMGCPMDAYITTE-UHFFFAOYSA-N 433.489 5.163 30 10 IKEE Cc1nn(-c2ccc(Cl)cc2)c2ncc(C(=O)Nc3sc4c(c3C#N)CCC4)cc12 1859749257 NHZCGVPSSDEIGE-UHFFFAOYSA-N 433.924 5.057 30 10 IKEE CCCCCCCCNC(=O)CNC(=O)c1ccc2nc(-c3ccccc3Cl)[nH]c2c1 1860949236 LDZCOOMOCJBHGO-UHFFFAOYSA-N 440.975 5.090 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2c(F)cc(F)cc2F)n(-c2ccc(Cl)cc2)n1 1862343781 IYDDOAMHPJPNJI-UHFFFAOYSA-N 431.845 5.424 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2ccccc2F)cc1C 1862401522 CTPHUNPJMGXIGD-DEOSSOPVSA-N 445.490 5.230 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2ccccn2)cc1 1862414710 GUCSJGPVLOCNQP-HSZRJFAPSA-N 448.469 5.262 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1 1862478068 YDPGEWQOVWHHFO-DEOSSOPVSA-N 434.580 5.039 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccc(C(=O)O)cc2)cc1 1862479006 WHDSPOABDHCOES-SBUREZEXSA-N 441.483 5.033 30 10 IKEE COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@H](C)c2ccccc2)ccc1O 1862480754 NWGLCFZNFKUCMP-OSPHWJPCSA-N 443.499 5.049 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCCCN2CCCC2)cc1 1862486882 NITBBCVNUYLXCR-RUZDIDTESA-N 446.591 5.066 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCc2cccs2)c1 1862490545 YGYWATSQMMBWTR-QHCPKHFHSA-N 431.557 5.494 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2cccc(F)c2)ccc1F 1862501580 GDQOGDOSOYXVJZ-JOCHJYFZSA-N 437.417 5.191 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862515832 FYMJJFVDRCVQNZ-MWTRTKDXSA-N 432.520 5.334 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccccc1 1862543866 QEPFQRZXBOAJMD-AZGAKELHSA-N 445.603 6.503 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccccc1 1862544225 YVECDHMLSIXKEK-BCHFMIIMSA-N 437.539 5.905 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CC(C)C)cc1 1862546614 AYGKXWKYZSGYDG-DEOSSOPVSA-N 433.548 5.198 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccccc1 1862616629 VBRUKUNQRGKUDE-XMMPIXPASA-N 449.591 5.769 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 1862664149 WWEARIUVGDWKKX-RUZDIDTESA-N 440.543 5.546 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCCC)cc1 1862667716 IQXLWDFFSLNYSQ-RUZDIDTESA-N 449.591 6.367 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2cccc(Cl)c2)c1 1862700515 IKUVFGJVCBJHFW-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862747646 UFSOHZOQNZWERT-HXOBKFHXSA-N 442.471 5.243 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1 1862893909 XGGVJNIQBTTWFY-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(Nc2ccccc2C#N)=C(c2c[nH]c3ccccc23)C1=O 1863501289 AJLINCUZWFOSIA-IBGZPJMESA-N 440.547 5.590 30 10 IKEE CCCCCCCCNC(=O)c1cn(-c2ccc(Nc3ccccc3)cc2)c(=O)cc1O 1870128189 IRYYYUVZTPQMGX-UHFFFAOYSA-N 433.552 5.377 30 10 IKEE CCCCCCCCn1cc(OCCCCCCC)c(=O)cc1CSc1ccccn1 1870251401 HYMWYCVBDCAWBP-UHFFFAOYSA-N 444.685 7.245 30 10 IKEE C=CCn1cc(OCc2ccc(CC)cc2)c(=O)cc1CSc1ccc(Cl)cc1 1870269418 FGJAXUOYRJLQKB-UHFFFAOYSA-N 425.981 6.121 30 10 IKEE CCCCCCCOc1cn(CCC)c(CNc2ccc(-c3ccccc3C)cc2)cc1=O 1870831688 GRBAFYMFSWDALE-UHFFFAOYSA-N 446.635 7.195 30 10 IKEE CCCCCCCOc1cn(C[C@H]2CCCO2)c(CNc2cc(C)ccc2C)cc1=O 1870833740 QRAQSHZFWGZGMX-HSZRJFAPSA-N 426.601 5.605 30 10 IKEE COc1ccc([C@@H](C)N2COc3c(cc4c(c3C)O/C(=C\c3cccc(F)c3)C4=O)C2)cc1 1871359685 VTBHTFITWFPGOO-SAMUYDCASA-N 445.490 5.672 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc5nc(C)c(C)nc5c4)cc(C)c3C2=O)o1 1871378734 CFYKJLCTFCKMSE-KSEXSDGBSA-N 440.455 5.292 30 10 IKEE Cc1cc(OC(=O)c2cccc(Oc3ccccc3)c2)cc2c1C(=O)/C(=C/c1ccco1)O2 1871379857 ZAPQGHJPWCXADV-IWIPYMOSSA-N 438.435 6.216 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OC(=O)c3cccc(OCC(C)C)c3)cc(C)c2C1=O 1871381430 UCQVPXFRNDCAIO-QFEZKATASA-N 442.511 6.174 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)CCc4ccccc4)cc(C)c3C2=O)cc1OC 1871385836 OTVVRXLTGNLOTG-IWIPYMOSSA-N 444.483 5.167 30 10 IKEE Cc1ccccc1OCCCCOc1ccc2c(c1C)O/C(=C\c1ccc(Cl)cc1)C2=O 1871404146 DJDYCWTZTCGERM-UQQQWYQISA-N 448.946 6.811 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)c(C)c1 1871410588 FIGCYRIUMQVFGF-ZKDCOOFMSA-N 431.463 5.465 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(O[C@H](C)C(=O)Nc3ccc(Cl)cc3)cc(C)c2C1=O 1871414217 KBACJIXXFQTQAX-SUVVMJBMSA-N 447.918 5.979 30 10 IKEE CC(=O)c1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1 1871422236 HEIMOXLIQSTWEN-CFRMEGHHSA-N 441.483 5.140 30 10 IKEE CCCC[C@H](Oc1ccc2c(c1C)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O)C(=O)O 1871422783 CWDQGRMJUGBWCR-FDJRJZQMSA-N 442.511 6.300 30 10 IKEE CCCC[C@H](Oc1cc(C)c2c(c1)O/C(=C\c1cn(CC)c3ccccc13)C2=O)C(=O)O 1871422969 KCVUPCRDXBNKMX-DHJMFLCTSA-N 433.504 5.608 30 10 IKEE Cc1cc(OCc2ccccc2C#N)cc2c1C(=O)/C(=C/c1ccc(Cl)cc1Cl)O2 1871437225 MYVRMTSOUWRZCW-AFPJDJCSSA-N 436.294 6.369 30 10 IKEE COc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)cc1 1872764869 AIBLVLSMBFGUJP-FQEVSTJZSA-N 436.533 5.171 30 10 IKEE C=CCOc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2ccc(CCCC)cc2)cs1 1872765862 YJBNGRKIKCQWOZ-NRFANRHFSA-N 446.572 5.973 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccc(Cl)cc3)n2)cc1F 1872775575 UREBFODUOBBRKP-KRWDZBQOSA-N 444.915 5.647 30 10 IKEE CCCCCCCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3OC)n2)cc1 1872777086 GCMDOMVPNAFORV-QFIPXVFZSA-N 448.588 6.658 30 10 IKEE Cc1cc(OCC(=O)[C@@H](C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)ccc1Cl 1872778228 GXNKGDGDQZTNGE-LJQANCHMSA-N 438.980 6.261 30 10 IKEE C=CCc1ccccc1OCc1ccc(C(=O)Nc2ccc(CC(=O)OC(C)C)cc2)cc1 1872859580 XNOXQTRDQRKGBD-UHFFFAOYSA-N 443.543 5.741 30 10 IKEE CCCCCCCCNC1=C(c2ccc(F)c(C)c2)C(=O)N([C@H](CC)CCCCC)C1=O 1873153335 WUOGFONELNKPEB-JOCHJYFZSA-N 444.635 6.523 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(C)ccc2OCC)=C(c2ccccc2C)C1=O 1873305859 ZDJQIOFAHWABBZ-UHFFFAOYSA-N 448.607 6.255 30 10 IKEE C=CCOc1ccccc1OCc1nc2ccccc2n1CC(=O)Nc1cc(C)cc(C)c1 1873517483 XMLJHNUXPBXDMI-UHFFFAOYSA-N 441.531 5.436 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(OC)c2)cc2c(NCc3ccccc3Cl)ncnc21 1873605458 BUWDSIASEJREDN-UHFFFAOYSA-N 447.926 5.144 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(OCCCC)cc2)cc2c(N3CCC[C@@H](C)C3)ncnc21 1873657794 PFBABHXSOSNJFG-LJQANCHMSA-N 447.583 5.285 30 10 IKEE CCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(OC)cc1OC 1874270450 BNFXHSFLTQSMJQ-PCLIKHOPSA-N 432.549 5.034 30 10 IKEE C=C(C)CSc1nnc(CCOc2ccccc2)n1/N=C/c1cccc(OCCC)c1 1874346539 UHKHKQITZQVEDG-KOEQRZSOSA-N 436.581 5.239 30 10 IKEE CCCSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1ccc(OCC)c(OC)c1 1874359398 FMTIFEVCMSCJQA-PCLIKHOPSA-N 438.597 5.277 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3cccc(F)c3)nnc2-c2ccccc2Cl)c1 1874366522 XTQCKKXXQOTUAI-VULFUBBASA-N 436.943 6.221 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2)n1/N=C/c1ccc(Cl)cc1 1874395711 TVWUDKRFFFFGIN-PMFZIYJTSA-N 432.980 6.258 30 10 IKEE Cn1cc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccccc2)c2ccccc21 1874407557 DJCWKJPBDJOFKT-WPWMEQJKSA-N 443.620 6.067 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2cccc(C)c2)cc1 1874427013 LZIDHTUPVWYLRU-WGOQTCKBSA-N 441.560 5.175 30 10 IKEE CN(C)c1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2-c2ccccc2)cc1 1874428731 ZALAATSDIJXINL-WGOQTCKBSA-N 447.995 5.839 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2ccccn2)cc1Cl 1874430529 MKSCQDKZGMNURA-DHRITJCHSA-N 440.359 5.821 30 10 IKEE Cc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SCC(=O)Nc2cccc(C)c2)c1 1874437281 SYAHVYQFMAUOJB-MFKUBSTISA-N 435.597 5.097 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2[C@@H]2CCCO2)cc1 1874442948 PBFPGTSRENPASX-XAOCGEIJSA-N 440.544 5.232 30 10 IKEE Cc1ccccc1CSc1nnc(C2CCCC2)n1/N=C/c1cc(Cl)ccc1O 1874452329 PVOVULAWCYCVBU-ZMOGYAJESA-N 426.973 5.778 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2-c2ccco2)cc1 1874468290 BEVDDASKCZJBEP-FOKLQQMPSA-N 445.331 5.725 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(CC)cc1 1874479300 TZZUAEAKPQBXCC-OVVQPSECSA-N 428.605 6.511 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C(C)(C)C)cc1 1874483160 HPIDSUFGDZFETM-MFKUBSTISA-N 426.561 5.678 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874507838 XXMAVDINKPLVTM-SSDVNMTOSA-N 433.896 5.106 30 10 IKEE CC(C)c1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccccc1Cl 1874515221 SORACJMDHPMGSC-AUEPDCJTSA-N 439.799 6.536 30 10 IKEE Cc1cccc(C)c1NC(=O)CSc1nnc(C)n1/N=C/c1ccc(Cl)cc1Cl 1874532177 APYLSPGVFXXHPB-AUEPDCJTSA-N 448.379 5.123 30 10 IKEE CCCCCOc1ccc(/C=N/n2cnnc2SCc2ccc(F)cc2)cc1OC 1874536320 XTLVOLPQGVDKFW-AFUMVMLFSA-N 428.533 5.169 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(F)cc2F)c1OCC(=O)Nc1ccc(C)cc1 1874576461 NXSIREIWOZYWHG-MDWZMJQESA-N 437.442 5.195 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(C)cc2)cc1 1874579285 GOPRCLQTQICDFY-GXDHUFHOSA-N 433.935 6.124 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C/C(=O)c2c(C)cc(C)cc2C)c1 1874589866 HEAHNLYSLKUYTO-CSKARUKUSA-N 447.962 6.487 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cc(Cl)ccc1OCc1ccc(F)cc1 1874592609 SPCKYBDXIRAPEV-RUDMXATFSA-N 431.290 6.616 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OCC(=O)Nc2cccc(C)c2C)c1 1874601149 WSLUOUFTBYZTQA-ZRDIBKRKSA-N 449.934 5.879 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OCC(=O)Nc1ccccc1C 1874608215 BOOJPGYIXCMKCN-WYMLVPIESA-N 449.934 5.961 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(OC)c(OCCc3ccccc3)c(OC)c2)cc1 1874613848 QLLSGVWYLXRHRP-XNTDXEJSSA-N 432.516 5.620 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(F)cc1 1874614629 VXBJYEKMKWFLRG-SWGQDTFXSA-N 439.870 5.401 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)c(C)c1 1874633914 BDNFCAYGDKNUCV-UKTHLTGXSA-N 427.544 6.142 30 10 IKEE CCCOc1c(Cl)cc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1OC 1874635814 WBJKGEYPVZLBNX-AATRIKPKSA-N 429.727 6.349 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3cncc(C)c3)c2)cc1C(C)C 1874710503 CEIDHKFTCXDPFU-MDZDMXLPSA-N 429.516 5.946 30 10 IKEE COc1ccccc1CCC(=O)Oc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC 1874713681 JEMKZWGROLDIFF-GXDHUFHOSA-N 444.527 5.755 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc4c(c3)OCO4)c2)cc1Cl 1874716880 NQOQJSOAVZUYQD-VMPITWQZSA-N 436.847 5.193 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1OC(=O)CC1CCCCC1 1874717611 FHMFTVUNAQOIBY-YRNVUSSQSA-N 447.358 6.774 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OC(C)=O)cc3)c(OC)c2)cc1 1875101350 LUABXTOBJNPTTA-VIZOYTHASA-N 444.483 5.298 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(OC)c1OC(=O)CC1CCCCC1 1875115083 LQXWTOTURUCQRK-LFIBNONCSA-N 448.559 6.204 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OCC)cc2)cc(OC)c1OC(=O)CC(C)(C)C 1875130805 STWJXZQZXYESBI-XNTDXEJSSA-N 436.548 6.060 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2OCC)cc1 1875137143 YGOJJSFYAMOWEW-LZYBPNLTSA-N 430.500 5.908 30 10 IKEE CSCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1Br 1875139726 XKYISABDYWXPLG-CSKARUKUSA-N 447.394 6.011 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)COc2c(C)ccc(C)c2C)cc1 1875143465 AXCNOPVLPCXZCG-SDNWHVSQSA-N 444.527 5.809 30 10 IKEE Cc1ccc(C)c(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2)c1C 1875150328 HSFFMUKTODJUPO-XYOKQWHBSA-N 444.483 5.221 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(OC)c1OC(=O)c1ccco1 1875153924 FQXXXSOEXAXDRA-OUKQBFOZSA-N 428.440 5.565 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(F)cc2F)cc1 1875180023 DBRSJTFTKWNDPS-BJMVGYQFSA-N 442.845 6.051 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)c3ccccc3)c([N+](=O)[O-])c2)c(C)c1 1875182941 CPBMGPNFFMRXKT-XETPZZHUSA-N 443.499 6.125 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1ccc(C)c(C)c1 1875183513 FIVJSWJWBRNVQW-FMIVXFBMSA-N 442.555 6.743 30 10 IKEE CC(C)(C)OC(=O)N(CCN=[N+]=[N-])[C@@]1(C#N)CCC(F)(F)C[C@@H]1OCc1ccccc1 1998813602 ILXHOIIMTGXTGD-FXAWDEMLSA-N 435.475 5.201 30 10 IKEE CC[C@@](C#N)(CCC(F)(F)F)N(C(=O)OC(C)(C)C)c1ccccc1Br 2087992398 RPWSVPPOUBSJQU-KRWDZBQOSA-N 435.284 6.205 30 10 IKEE C=CCCCC[C@@H](NCCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2123085111 NJRAULGSACXDRX-LJQANCHMSA-N 425.411 6.583 30 10 IKEE C=CCC1(C(=O)O)CN(Cc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1 2134788616 VXRNKGBENVGTMC-UHFFFAOYSA-N 443.543 5.307 30 10 IKEE C=C([C@H](NCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)C(C)(C)C 2152976936 KYULJMWHRMGCRY-MOPGFXCFSA-N 439.438 5.465 30 10 IKEE CN(Cc1ccc(Nc2cc(Br)c(C#N)cc2F)cc1)C(=O)OC(C)(C)C 2162349019 RCLSIGPOYLVYCE-UHFFFAOYSA-N 434.309 5.570 30 10 IKEE CC[C@H]1CN(c2cc(Cl)c(C#N)cc2F)[C@H](CC)CN1C(=O)OCc1ccccc1 2177391833 WAGLWFRJSJOGCK-MOPGFXCFSA-N 429.923 5.367 30 10 IKEE C=C(COCc1ccccc1)[C@H](NC)c1cc(Cl)cc(C)c1NC(=O)OC(C)(C)C 2212718074 BQJUMKWBGMETIE-NRFANRHFSA-N 430.976 6.029 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(C)c(Br)c(C)c1 2227360526 SYBAHNROLMIDQT-IEBWSBKVSA-N 425.411 5.576 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCC)c2cc(C)c(Br)c(C)c2)C1 2235617806 NLTQNFIPHYGZTJ-LJQANCHMSA-N 437.422 5.578 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)CN(C(=O)OC(C)(C)C)C(C)(C)C 2235726684 KCQVKTRBMCBVPV-SFHVURJKSA-N 437.422 5.204 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(F)c([C@H](O)C#Cc2ccccc2Br)c1F 2235739961 LICNRJUTWWXVMY-MRXNPFEDSA-N 438.268 5.159 30 10 IKEE CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 2247981425 JXRQYIRRUNXRSH-NTKDMRAZSA-N 435.609 5.341 30 10 IKEE C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2255811176 AGZGIOHBMYWNDY-QGZVFWFLSA-N 437.370 5.044 30 10 IKEE C=CCC1(COc2ncc(Br)cc2Cl)CCN(C(=O)OC(C)(C)C)CC1 2272227173 GEKPDUNFSLHAOZ-UHFFFAOYSA-N 445.785 5.470 30 10 IKEE C=CC[C@]1(COc2cc(C)c(Br)cn2)CCCCN1C(=O)OC(C)(C)C 2272234002 JYECWKMAYBTPJF-HXUWFJFHSA-N 425.367 5.267 30 10 IKEE C=C1C[C@@]23CC[C@H]4[C@@](C)(CC[C@@H](OC(=O)C=Cc5ccccc5)[C@@]4(C)C(=O)O)[C@@H]2CC[C@@H]1C3 2295099686 BJQOPHXIKHSJOP-ZIZFGSBQSA-N 448.603 6.275 30 10 IKEE COc1cc(C=C2Oc3cc(OCc4ccc(C)cc4)ccc3C2=O)cc(OC)c1OC 2296865833 JXLWRKRYUVMCJI-UHFFFAOYSA-N 432.472 5.216 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccccc1Br)C2=O)c1cccs1 2296867195 BDDOOEWSJSHCBG-UHFFFAOYSA-N 427.275 5.346 30 10 IKEE Cc1cc(Br)ccc1N=C1NC(=O)C(=Cc2c(C)n(C)c3ccccc23)S1 2297453931 DBVAMRSOMAHRCU-UHFFFAOYSA-N 440.366 5.449 30 10 IKEE C=CCN1C(=O)C(=Cc2ccccc2OCCCOc2ccc(CC)cc2)SC1=S 2297624858 WHMRFFPXUOOYLI-UHFFFAOYSA-N 439.602 5.484 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C3CCCCCC3)C2)C1 2317529956 WXZBINGCIJBFGP-RUZDIDTESA-N 447.620 5.630 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(OCc4c(F)cccc4Cl)c3C)C2=O)cc1 2321802394 INJGZYBKSALTFV-UHFFFAOYSA-N 438.882 6.381 30 10 IKEE Cc1cccc(CN2COc3cc(C)c4c(c3C2)OC(=Cc2ccc3c(c2)OCO3)C4=O)c1 2322218141 YCDIWDYAEUYQIH-UHFFFAOYSA-N 441.483 5.000 30 10 IKEE O=C(COc1ccccc1C=CC(=O)c1ccc(Cl)cc1Cl)NC1CCCCC1 2322379295 KYAUDOKYRPIXNT-UHFFFAOYSA-N 432.347 5.717 30 10 IKEE CCOc1ccc(C=C2Oc3c(cc4c(c3C)OCN([C@@H]3CCCC[C@H]3C)C4)C2=O)cc1 2322391730 AIIPKHKDYSTFDI-UZUQRXQVSA-N 433.548 5.741 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1cccc(Cl)c1)C3=O)CN(CCCc1ccccc1)CO2 2322427733 PWPJNIKVXGPDKD-UHFFFAOYSA-N 445.946 6.049 30 10 IKEE CCc1ccc([C@H](C)N2COc3c(cc4c(c3C)OC(=Cc3cccs3)C4=O)C2)cc1 2322455480 NHNJTKDPYOXWGZ-KRWDZBQOSA-N 431.557 6.148 30 10 IKEE Cc1ccccc1COc1ccc(Br)cc1C=CC(=O)c1cccc(Cl)c1 2322524731 FELSQHBBODCGDW-UHFFFAOYSA-N 441.752 6.886 30 10 IKEE COc1cc(Br)cc(C=CC(=O)c2ccccc2)c1OCc1ccc(C)cc1 2322549218 GPKFLCALKBCONK-UHFFFAOYSA-N 437.333 6.241 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc(OC(=O)c3cc4ccccc4o3)c2C)C1=O 2322842652 HJKSKTRFEIBVSV-UHFFFAOYSA-N 426.424 5.585 30 10 IKEE C=CCOc1c(C=CC(=O)c2ccc(OC)c(Cl)c2)cc(Br)cc1OC 2322977936 VZANHZSGAMDLBT-UHFFFAOYSA-N 437.717 5.581 30 10 IKEE CCOc1cc(C=NNc2nc(O)cc(C(C)C)n2)ccc1OCc1cccc(Cl)c1 2323248460 SOLXZESKWYMFQK-UHFFFAOYSA-N 440.931 5.383 30 10 IKEE Cc1c(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc2c1OC(=Cc1cccs1)C2=O 2323283350 XWOWQKJEXPACTH-UHFFFAOYSA-N 441.848 5.454 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(Cl)c1OCc1ccc(C)cc1 2323388074 NUQWLAGZISFCTN-UHFFFAOYSA-N 442.942 7.285 30 10 IKEE Oc1ccc2cc(Br)ccc2c1C=Nn1c(S)nnc1C1CCCCC1 2323482764 GCZXNVDCXWCZOG-UHFFFAOYSA-N 431.359 5.118 30 10 IKEE CCOc1cc(C=Nn2c(S)nnc2-c2ccccc2)ccc1OCc1ccc(C)cc1 2323512164 JOKYYDDRNBIPAV-UHFFFAOYSA-N 444.560 5.402 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(OC)c1OCC(=O)OCC(C)C 2323799805 ZASGFYWNRFLAKS-UHFFFAOYSA-N 442.939 5.551 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(F)cc3)cc2Cl)o1 2324183325 QCZLQSMRNNXYAA-UHFFFAOYSA-N 428.843 5.724 30 10 IKEE CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1sccc1C)C2=O 2324325162 WXDDLTZEHYALFQ-MRXNPFEDSA-N 449.528 5.477 30 10 IKEE Cc1ccc(OCCOc2ccc3c(c2C)OC(=Cc2ccc(N(C)C)cc2)C3=O)cc1 2324538680 IEKWYZBSTOHFOO-UHFFFAOYSA-N 429.516 5.443 30 10 IKEE CC(C)c1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 2324606029 MDTGSSCJOSMGMH-FQEVSTJZSA-N 430.529 5.594 30 10 IKEE COc1cc(OC)c(OC)cc1C=C1Oc2cc(OCc3ccccc3)cc(C)c2C1=O 2324844638 OGWYXBBHLNIMFL-UHFFFAOYSA-N 432.472 5.216 30 10 IKEE Cc1c(Cl)cccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1cccs1)C2=O 2325055547 UDFFZGRZZKISAS-UHFFFAOYSA-N 439.920 5.652 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2cccc(F)c2)c1)c1cccc(Br)c1 2325720837 RVVXYIJVQVJMDW-UHFFFAOYSA-N 425.253 5.704 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2F)C3=O)cc1C 2325738766 SRRQZRINUNPYQE-UHFFFAOYSA-N 431.463 5.385 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(C(F)(F)F)cc2)c1)c1ccc(F)c(F)c1 2325753608 COLPBBZJLSRQBI-UHFFFAOYSA-N 432.344 6.099 30 10 IKEE CCCOc1ccc(C=Nn2c(CCC)nnc2SCc2ccc(F)cc2)cc1Cl 2326251899 RFNQCTWNCUCVLS-UHFFFAOYSA-N 446.979 5.986 30 10 IKEE CCc1nnc(SCc2cccc(C)c2)n1N=Cc1c(Cl)ccc(Cl)c1Cl 2326380034 GQRQZOLZFLOEKE-UHFFFAOYSA-N 439.799 6.284 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1c(O)ccc2ccccc12 2326596937 RDQQNAXXDCGCIG-UHFFFAOYSA-N 430.577 5.881 30 10 IKEE CCOc1ccc(OCc2nnc(SCc3ccccc3C)n2N=Cc2ccc[nH]2)cc1 2326637347 RXPPLNKZALHOEN-UHFFFAOYSA-N 447.564 5.067 30 10 IKEE CCCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1N=Cc1ccccc1Cl 2326797962 FQLKGHBVBAJUKT-UHFFFAOYSA-N 442.972 5.235 30 10 IKEE C=C(C)CSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1ccc(C(=O)O)cc1 2328156028 RORLQWXZDJKKSN-UHFFFAOYSA-N 440.613 5.991 30 10 IKEE Cc1cccc(CSc2nnc(COc3cccc(C)c3C)n2N=Cc2ccccn2)c1 2328828127 WONAWVQSRMOERI-UHFFFAOYSA-N 443.576 5.352 30 10 IKEE Fc1ccccc1C=Nn1c(CCc2cccs2)nnc1SCCc1ccccc1 2329667951 QJDKZYSSJAHLCP-UHFFFAOYSA-N 436.581 5.481 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccccc1 2330132508 YIWXGLCKMBNVJF-GOSISDBHSA-N 432.980 6.258 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2cccc(Cl)c2)n1N=Cc1cccc(O)c1 2330135815 FZBIEFJMZHWCOA-QGZVFWFLSA-N 448.979 5.963 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC3CCCCC3)n2N=Cc2ccccc2O)c1 2330271438 HGTUCKJQWVBPJP-UHFFFAOYSA-N 434.609 5.898 30 10 IKEE C=CCSc1nnc(-c2cccs2)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2330589700 RDCYDOUPZDQFLC-UHFFFAOYSA-N 446.557 5.386 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OC(=O)c1ccco1 2330634958 HFBAQNBKHKDKDL-UHFFFAOYSA-N 441.823 5.355 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)cc3F)cc2)cc1OC 2330707429 RWURSXRITNJVFW-UHFFFAOYSA-N 438.426 5.026 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1 2330967974 CZKNYERHLNGFPC-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE Cc1ccc(CSc2nnc(C3CCCC3)n2N=Cc2ccc(C(F)(F)F)cc2)cc1 2331018327 LWKBLMICQYYRCK-UHFFFAOYSA-N 444.526 6.437 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCc3ccccc3)nnc2C2CCCC2)cc1 2331070887 ZMCINLZSYQBMTG-UHFFFAOYSA-N 434.609 6.289 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3F)cc2)cc1 2331084427 XIGARWQXRNXNPN-UHFFFAOYSA-N 438.426 5.244 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)c1cccc(C)c1 2331122269 XKLDQBJDBBRZJT-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2-c2ccco2)cc1 2331187012 BYARYMWOPXZEME-UHFFFAOYSA-N 449.555 5.698 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 2331211414 ZZHVVMADSNHOPQ-UHFFFAOYSA-N 447.443 5.117 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2C(C)(C)C)cc1 2331382831 MPROZCPRZJEOCF-UHFFFAOYSA-N 440.588 6.068 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2C(C)(C)C)cc1 2331397700 WDWYJJLQDPFDEX-UHFFFAOYSA-N 436.625 6.156 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OC(=O)CCOC 2331417734 MILCPVGURITITK-UHFFFAOYSA-N 444.955 5.874 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OC(=O)C1CCC1 2331443325 MSNIUGGHSAVUNE-UHFFFAOYSA-N 428.868 5.069 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(SCc2ccc(Cl)cc2)nnc1C1CCC1 2331539721 OXCQQCXTOHVOKW-UHFFFAOYSA-N 441.000 6.161 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OC(=O)c1ccco1 2331589666 JLWACBBJRLTWTP-UHFFFAOYSA-N 434.488 5.844 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OC(=O)C1CCCC1 2331590983 AMPJPCLKPQIQBV-UHFFFAOYSA-N 436.548 6.127 30 10 IKEE CCCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1N=Cc1cccc(Cl)c1 2331632615 SQBMXGMTHXSCHC-UHFFFAOYSA-N 441.988 5.114 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1[N+](=O)[O-] 2331649494 WIZKFBWJIBHQIO-UHFFFAOYSA-N 437.536 6.600 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CC(C)C)c(Br)c2)c(OC)c1 2331722031 NCEGWNRGPBZNGG-UHFFFAOYSA-N 447.325 5.314 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2ccc(OC(=O)C(C)(C)C)c(Cl)c2)cc1Cl 2331808470 YWJOZSZBMLHCHQ-UHFFFAOYSA-N 441.738 6.503 30 10 IKEE CN[C@@H](C#CC1CCC1)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2337416649 DKNSPXXPELIGIG-WNJJXGMVSA-N 441.571 5.270 30 10 IKEE C[C@@H](CCCCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339589288 VNDGQQZKNVHDAA-SFHVURJKSA-N 446.397 5.189 30 10 IKEE C=CCN(CC[C@@H](O)c1c(C)c(C)c(Br)c(C)c1C)C(=O)OC(C)(C)C 2347980803 MQFRFDMMAWBGOI-QGZVFWFLSA-N 426.395 5.529 30 10 IKEE COc1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(C)c2)c(Br)cn1 2362112503 NYMRUVJGUWCWSK-QGZVFWFLSA-N 432.318 5.168 30 10 IKEE CC1(C)CC=C(B2OC(C)(C)C(C)(C)O2)CN1C(=O)c1ccc(OCc2ccccc2)cc1 2362504667 FQCFIYIGCOTVBX-UHFFFAOYSA-N 447.384 5.448 30 10 IKEE CCN[C@H](C#CC1(OC)CCC1)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2362768068 OJQULAGXDXCQRH-GOSISDBHSA-N 437.378 5.019 30 10 IKEE C[C@H]1CN(Cc2ccccc2)C[C@@]1(C)CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2365115191 HDRZGRKEGBKAGN-KDYSTLNUSA-N 447.432 5.296 30 10 IKEE CCCN[C@H](C#C[C@@H]1CC1(F)F)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2366696877 WOPGBRHRYCBRBP-CXAGYDPISA-N 443.332 5.495 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)SC1=S 2058708 KJZCEIBBKCYJNY-ZDLGFXPLSA-N 436.385 5.960 30 10 IKEE C=C(C)COc1ccc(NC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1 9813855 GSPRRXJSFFQELT-UHFFFAOYSA-N 432.358 5.719 30 10 IKEE Cc1cccn2c(=O)c(/C=N\Cc3ccco3)c(Nc3ccc(SC(F)F)cc3)nc12 12512543 ILKSRLCCUVCXOX-MXAYSNPKSA-N 440.475 5.273 30 10 IKEE CN(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(Cl)c2)cc1 20883056 OZRWXWSCXFEASX-XHCCPWGMSA-N 443.978 6.386 30 10 IKEE COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(Cl)ccc2O)c1 21230889 NKZHQCAMXFZPHM-AKJBCIBTSA-N 446.934 6.034 30 10 IKEE COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2c[nH]c3ccccc23)c1 21231158 SIXAYANJBIKLBF-JMQGSBJISA-N 435.527 6.156 30 10 IKEE CCOc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)c1 21248823 YHFYPGGOLGIMMV-WINIVTDRSA-N 428.507 6.204 30 10 IKEE CC(C)c1ccc(N/C(=N\C(=O)c2cccc(F)c2)NCCc2c[nH]c3ccccc23)cc1 32943368 BNBIJGVSSJYCCW-UHFFFAOYSA-N 442.538 5.871 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)/C=C\c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 33414475 LMWOXDKLWIKHDC-LMRWOHPRSA-N 429.447 5.017 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(C(C)(C)C)cc3)c2)c(OC)c1 34955193 DEMQYWGTSKJVIH-CXUHLZMHSA-N 444.527 6.117 30 10 IKEE Cc1cccc(/N=C2/N=C(O)S/C2=C\c2cn(-c3ccccc3)nc2-c2ccccc2)c1 35484880 PZMHXEXPMGKIKA-KQWNVCNZSA-N 436.540 6.580 30 10 IKEE C=C(Br)Cn1c([C@@H]2CC(=O)N(c3ccccc3Cl)C2)nc2ccccc21 38586993 CDCZBLMCQKZUKR-CQSZACIVSA-N 430.733 5.119 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(CC)cc1 40094170 YHKWWIIBJVJKPS-VWLOTQADSA-N 449.591 5.971 30 10 IKEE C=CCc1ccccc1OCCCn1c(CCNC(=O)C(CC)CC)nc2ccccc21 40198149 HHPPDDHJJYRYNE-UHFFFAOYSA-N 433.596 5.329 30 10 IKEE Cc1c(C(=O)Oc2ccc3ccccc3c2)oc2c1/C(=N/Nc1ccc(F)cc1)CCC2 40823823 SAFSZZYAKVSBGB-QUPMIFSKSA-N 428.463 6.252 30 10 IKEE Cc1ccc(COc2cc(C)c3c(c2)O/C(=C\c2ccc(-c4ccccc4)cc2)C3=O)cc1 41433391 MXTAYALPMVSNIO-QRQIAZFYSA-N 432.519 7.166 30 10 IKEE Cc1cccc(/C=C2\Oc3c(cc4c(c3C)OCN(CCc3ccc(F)cc3)C4)C2=O)c1 41587786 YMFDXGHNKPUZFX-CFRMEGHHSA-N 429.491 5.453 30 10 IKEE C=CCSC1=N/C(=C/c2ccc(OCC)c(OC)c2)C(=O)N1c1ccc(OCC)cc1 96448882 SFMWRCRSXGDCQE-HMMYKYKNSA-N 438.549 5.156 30 10 IKEE CCCCCCCOc1ccc([C@]2(C)Nc3ccccc3C(=O)N2Cc2ccco2)cc1 100141548 MFCBDUFPBHJBLQ-HHHXNRCGSA-N 432.564 6.570 30 10 IKEE CCCCCCCCCCCCCCCCNC[C@@H](C)c1ccc2cc(OC)ccc2c1 100156801 JUGYMZWIUVLEBH-AREMUKBSSA-N 439.728 9.023 30 10 IKEE CCCCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)S/C1=N/Cc1ccccc1 102141910 MFFMEFJPFXZRQY-MWWVQSJNSA-N 444.025 5.983 30 10 IKEE COc1ccc([C@@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 102603603 XJTAWWFWKDJFSK-RKKARLDVSA-N 433.891 5.283 30 10 IKEE CCCCCCCCCCCCOc1ccc(NC(=O)Cc2ccccc2)c([N+](=O)[O-])c1 103601529 MYDGUCXJKIKPEA-UHFFFAOYSA-N 440.584 7.076 30 10 IKEE CCCCCCCOc1ccc(NC(=S)NC(=O)/C=C\c2ccc(OC)cc2)cc1 111239758 FPVGROGVRRKGRC-YVLHZVERSA-N 426.582 5.571 30 10 IKEE C=CCn1c(C(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)c(C)c2cc(C(C)C)ccc21 169874194 OWCZJUJCTFYKQE-UHFFFAOYSA-N 443.616 7.252 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1OCC 169879221 HTQRXDQFIQKQGF-NCELDCMTSA-N 427.545 6.569 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/Nc2nnc(C(C)(C)C)c(=O)[nH]2)c(Cl)c1 169898116 ITDGPYMSTZQFGU-PCLIKHOPSA-N 448.011 5.691 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2cc(C)ccc2C)c1 169933150 BMMBQHSERJMUJC-RUZDIDTESA-N 441.527 5.712 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2ccccc2C)c1 169937176 MMASZZPXAWHGFE-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CCCOc1cc(/C=N\Nc2nc(-c3ccc(OC)c(OC)c3)cs2)ccc1OC 169943112 CNRFXTVDCGBIND-QRVIBDJDSA-N 427.526 5.071 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2cccc(C)c2)cc1 169970835 PYCWKWHMFWDJET-XMMPIXPASA-N 427.500 5.354 30 10 IKEE Cc1cccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2cc(F)ccc2F)c1 169971837 LKDUGSBMIGXKJP-DEOSSOPVSA-N 433.454 5.375 30 10 IKEE CC(C)Oc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2)c1 169979722 UTDLMUIMYYANGA-HSZRJFAPSA-N 447.918 5.910 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc3ccccc23)c1 170045566 ZKTVNAUXHVLVCI-DEOSSOPVSA-N 439.467 5.220 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(O)cc2)cc1 170131718 STZBNANTTWSPDK-HSZRJFAPSA-N 447.462 5.101 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(C(C)(C)C)cc1 170150096 JFWYEQVWMOKLJQ-DEOSSOPVSA-N 431.576 5.851 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2cccs2)c1 170158296 REZMVKDSIGTMIR-HSZRJFAPSA-N 447.556 5.937 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1ccncc1)c1ccc2ccccc2c1 170206761 GROMBRPVGLQCTD-QHCPKHFHSA-N 442.421 5.296 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2)cc1 170223469 PYHPEPWGXYSYQL-HSZRJFAPSA-N 431.463 5.397 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1ccccc1 170224688 XRRGIICUNPGSJF-DEOSSOPVSA-N 441.527 5.781 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccccc1 170227426 JSYSCGWRKWOKPE-QHCPKHFHSA-N 425.440 5.224 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccccc2)c1 170227690 IXRPUXANFXPGGN-XMMPIXPASA-N 443.499 5.271 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2ccccc2)cc1C 170227885 FGEDJGIEJMYXGC-XMMPIXPASA-N 443.499 5.191 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccc2F)cc1C 170249795 LZGIWKAOTGZPLV-DEOSSOPVSA-N 445.490 5.624 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccccc1F 170251490 GHYMGGLZLBBIGI-NRFANRHFSA-N 443.902 5.399 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1cccc(O)c1)c1cccc2ccccc12 170256834 FBESCUNGXPVQQO-HSZRJFAPSA-N 441.508 5.385 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2cccc(O)c2)c1 170258600 WWXQETHHUVUAPX-VWLOTQADSA-N 435.479 5.637 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@@H]1c1ccc(CC)cc1 170267621 SYTZOOYEJGLSFS-VWLOTQADSA-N 449.591 6.068 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccco2)cc1 170282368 RAGYSRIMINPIOC-QHCPKHFHSA-N 449.478 5.771 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(Cl)cc(Cl)c2)[C@H]1c1ccc(O)cc1)c1cccs1 170339957 WQNJOMKKRMMPNW-SFHVURJKSA-N 446.311 5.543 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(F)c(F)c2)cc1 170360971 LCCRYMMUOGDCCX-QHCPKHFHSA-N 449.453 5.455 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2cccc(OCC(C)C)c2)c1 170365895 OXVDZYMUPHJTSM-QHCPKHFHSA-N 431.488 5.406 30 10 IKEE CC1CCN(c2ccc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccco3)cc2)CC1 170400097 XKFPXKHMSWIKLG-QFIPXVFZSA-N 448.544 5.360 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1Cl 170469995 BFXBAEYPGQFOIL-OAQYLSRUSA-N 439.983 6.461 30 10 IKEE C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@@H](C)/C=C/C[C@](C)(O)CC)C[C@@H](O)C[C@@H]1O 206404296 RQYBOLUOBVMUJB-GCTMAKKJSA-N 428.657 5.871 30 10 IKEE N#C[C@@H](Nc1ccc(Cl)c(Br)c1)c1cc(Br)c(Cl)s1 227893055 GIVXNQLWLRIFOI-SNVBAGLBSA-N 440.975 6.257 30 10 IKEE Cc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2cccc(C#Cc3ccccc3)c2)cc1 247994976 PCVYHXVTZWYBOA-HXUWFJFHSA-N 428.557 5.094 30 10 IKEE C=CCN1C(=O)/C(=C2/Sc3ccccc3N2C)SC1=Nc1cccc2ncccc12 254353446 XHBNXJZTCBXPRU-XJIBWINFSA-N 430.558 5.395 30 10 IKEE CSc1nnc(-c2ccco2)n1N=Cc1ccc(COc2ccc(F)c(Cl)c2)o1 254749132 MWRPCLKSQZDKTH-UHFFFAOYSA-N 432.864 5.107 30 10 IKEE CCCCOc1ccc([C@H]2C=C[C@@H](c3ccc(OCCCC)cc3)[C@H](C#N)[C@H]2C#N)cc1 256432904 QKLHVENVSYUZRM-PUHABZHSSA-N 428.576 6.761 30 10 IKEE C1=C(Nc2ccccc2)C(=Nc2ccccc2)C=C(Nc2ccccc2)C1=Nc1ccccc1 263598673 IDDYUZBZSSUAGK-UHFFFAOYSA-N 440.550 7.537 30 10 IKEE Cc1ccc(N=C2S/C(=C/c3ccc(N(C)C)cc3)C(=O)N2Cc2ccccc2)cc1 263626628 PFHVPONELDKSGE-DNKROPNVSA-N 427.573 5.865 30 10 IKEE C=CCN(C[C@H](NCCC)c1c(F)ccc(Br)c1F)C(=O)OC(C)(C)C 407389978 HOWIUESZHHQYQK-HNNXBMFYSA-N 433.337 5.191 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1/N=C\c1ccc(OC)c(OC(C)C)c1 526803213 RZNZTPYETRCLKW-QFEZKATASA-N 442.560 5.340 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1ccccc1OCCC 526825305 CBGODNBUUAMRGP-XYGWBWBKSA-N 426.561 5.723 30 10 IKEE Cc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2ccc(C(C)(C)C)cc2)cc1C 586209454 KVFCAATXNGHBDD-UHFFFAOYSA-N 432.589 5.868 30 10 IKEE C=CCN(CC=C)C(=O)c1cccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)c1 586717716 UJERYSBSOUISQK-UHFFFAOYSA-N 427.504 5.937 30 10 IKEE CCCCCCCCC[C@H](O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 696197496 NHAUOVWSOALTHS-IBGZPJMESA-N 428.411 6.970 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCC[C@@H](C(F)(F)F)C1 698491647 ZUWVOATXCRGKGA-ACJLOTCBSA-N 447.295 6.205 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C1 698868683 JTRBRZYUGYYETF-QMHKHESXSA-N 433.524 5.106 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@@H]2CCCCN2C(=O)OC(C)(C)C)cc1 698871844 WQKSSBYJLQMLAA-NBGIEHNGSA-N 443.588 5.808 30 10 IKEE O=C(NCc1ccco1)c1c(N=Cc2ccc(Br)o2)sc2c1CCCC2 1083952353 URTFQAHMCPIINO-UHFFFAOYSA-N 433.327 5.256 30 10 IKEE Oc1c(Cl)cc(Cl)cc1C=Nc1cc(C(F)(F)F)ccc1OC1CCCCC1 1084612264 RVPAOSIWARIDBK-UHFFFAOYSA-N 432.269 7.180 30 10 IKEE C[C@H]1CC(=Nc2ccc(F)cc2)c2ccccc2N1C(=O)c1cc(Cl)cc(Cl)c1 1088661333 VZUKJGCAVQMEJT-AWEZNQCLSA-N 427.306 6.692 30 10 IKEE CC1=C[C@@]2(C)C=C(C)[C@H]3[C@H](C(C)=C[C@@]3(C)[C@@H]1C)[C@@H]2/C=C/C(O)=C1/C(=O)[C@@H]2CCCN2C1=O 1613882139 WDPIULZTNJKEMP-RPGDZUDPSA-N 433.592 5.305 30 10 IKEE O=C1/C(=C/C=C/c2ccco2)SC(=Nc2ccc(Cl)cc2)N1c1ccc(Cl)cc1 1772742870 CFGAMOYWVKJKCJ-HEDFLYJESA-N 441.339 6.951 30 10 IKEE Cc1ccccc1C=NN=C1S/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccco1 1772756737 BMJBJCSURYQOJP-VSVFQZKGSA-N 446.488 5.003 30 10 IKEE Cc1sc(NC(=O)c2c3c(nc4c(Br)cccc24)CCC3)c(C#N)c1C 1859647414 NVJAAAKNCFKUMH-UHFFFAOYSA-N 426.339 5.288 30 10 IKEE N#Cc1c(-c2ccccc2)ccnc1Nc1ccc(Nc2cc(-c3ccccc3)ncn2)cc1 1859859603 ZVNVPYHMOGZHHA-UHFFFAOYSA-N 440.510 6.564 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CCC(C)C)cc1 1862379673 HYIDMLSESBFPGY-HXUWFJFHSA-N 432.347 5.926 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1Cl 1862446558 VNJQSVYRYIZWIH-FQEVSTJZSA-N 448.346 5.387 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2ccc(C)cc2)cc1 1862475567 PLQXLFFOSAJEOL-VWLOTQADSA-N 425.528 5.515 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(Br)cc1 1862513196 ZFNKRGGVRMMMLW-ORAYPTAESA-N 446.316 5.273 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 1862520300 FARHCVMZWXMBQU-FQEVSTJZSA-N 447.453 5.481 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccccc2C)cc1 1862532207 FVPRPTWDOOWSBL-XMMPIXPASA-N 429.491 5.475 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccc(Cl)c2)cc1 1862535893 MFKZMQJFUZDMPL-OAQYLSRUSA-N 437.948 5.742 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc2c(c1)OCCO2 1862536860 JEMUVDQFMKAWEH-DEOSSOPVSA-N 449.547 5.179 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(F)cc1F 1862546397 WXXCHECFJQQGPQ-RCDICMHDSA-N 425.475 5.220 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCc2ccc(Cl)cc2)c1 1862554942 OLKSWUNYOPCYCU-HSZRJFAPSA-N 446.934 5.052 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1c(Cl)cccc1Cl 1862633303 JLNIJDFCSADTGT-LJQANCHMSA-N 448.302 5.101 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1cccc(Br)c1)c1cccc2ccccc12 1862656841 OQWUSUCPEJKUBY-OAQYLSRUSA-N 448.316 5.343 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(C(C)C)cc2)=C(O)C(=O)N1CCc1cccs1 1862662149 IOIXDOMWTMJCKY-XMMPIXPASA-N 445.584 6.001 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccc2ccccc12 1862667254 WXSYNEAJDHJPHU-AREMUKBSSA-N 441.571 6.732 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(Cl)cc1 1862689138 JAARDBHCUNGXOB-NRFANRHFSA-N 427.928 5.507 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2Cl)cc1 1862689302 NEYHOZAYRYZMJE-FQEVSTJZSA-N 439.920 5.189 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862757485 YUZVASWHWJBHFD-BTYIYWSLSA-N 436.508 5.269 30 10 IKEE CCCCc1ccc(NC2=C(c3cc(C)ccc3C)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1863030968 UXYNTDIOCCOUFC-UHFFFAOYSA-N 449.554 5.914 30 10 IKEE CCC[C@H](NC(=O)C[C@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1cccc(C#N)c1 1866777903 ZIHIIHPPZQNGKK-RPBOFIJWSA-N 443.522 5.143 30 10 IKEE CC[C@@H]1Cc2cc(OC)ccc2N(c2cc(Nc3cccc(C#N)c3)nc(CCOC)n2)C1 1868247232 XOTBCZDFVUKJAN-GOSISDBHSA-N 443.551 5.010 30 10 IKEE C=CCOc1cn(CCCCCCCC)c(CN2CCN(c3ccccc3)CC2)cc1=O 1870385194 MSCXCVZPJVSKEF-UHFFFAOYSA-N 437.628 5.096 30 10 IKEE CCCCCCCCn1cc(OCCC(=O)OCC)c(=O)cc1CN(CC)CCCC 1870452486 MTSPAPIDPFEDQE-UHFFFAOYSA-N 436.637 5.163 30 10 IKEE C=CCOc1cn(Cc2ccc(Cl)cc2)c(CNc2cccc(C(C)(C)C)c2)cc1=O 1870812364 SEAWLLIASOLTPZ-UHFFFAOYSA-N 436.983 6.024 30 10 IKEE C=CCOc1cn(Cc2ccc(Cl)cc2)c(CNc2ccc(C(C)(C)C)cc2)cc1=O 1870812643 XOQDTHDDFRUVAT-UHFFFAOYSA-N 436.983 6.024 30 10 IKEE C=CCOc1cn(C[C@H](O)c2ccc(Cl)cc2)c(CNc2ccc(Cl)cc2)cc1=O 1870812826 KSDOTELSKSIAMG-QFIPXVFZSA-N 445.346 5.066 30 10 IKEE CCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CNc1ccc(Cl)cc1C 1871258066 NLWDPOIVKRZXMP-UHFFFAOYSA-N 447.063 7.208 30 10 IKEE CCCCCCCCCCN=c1nc2c(cnn2C)c(Nc2ccc(OC)c(Cl)c2)[nH]1 1871299130 UKAVUZNICKGTOF-UHFFFAOYSA-N 445.011 5.743 30 10 IKEE O=C1/C(=C/C=C/c2ccccc2)Oc2c1ccc1c2CN(CCOc2ccccc2)CO1 1871346810 YKTWUZAWTQSUOA-HWFVTPCDSA-N 425.484 5.090 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(-n5cccc5)cc4)c3C)C2=O)cc1 1871383482 CHVWHIFIXRMVNR-ITYLOYPMSA-N 449.506 6.184 30 10 IKEE CCCN(CCC(=O)OCC)Cc1c(O)cc(C)c2c1O/C(=C\C=C\c1ccccc1)C2=O 1871392517 AOJGBDDIUMNUHO-KVDDRNFDSA-N 449.547 5.038 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc(O)c2CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)C1=O 1871394300 PDNFHEAOQIVMIH-TYDNZCBRSA-N 447.575 5.808 30 10 IKEE Cc1ccc(OCCOc2cc(C)c3c(c2)O/C(=C\c2cn(C)c4ccccc24)C3=O)cc1 1871405243 HEHNVEQEOODMGR-YSMPRRRNSA-N 439.511 5.869 30 10 IKEE CC(C)=C1Oc2cc(O[C@H](C)C(=O)Nc3ccc(Oc4ccccc4)cc3)ccc2C1=O 1871405568 GFCUVUTYAVIALO-QGZVFWFLSA-N 429.472 5.754 30 10 IKEE O=C1/C(=C/c2ccccc2Cl)Oc2cc(OCCOc3ccc(Cl)cc3)ccc21 1871412931 MAXOLGWGBXMYMM-XKZIYDEJSA-N 427.283 6.067 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1ccc2c(c1C)O/C(=C\c1cccs1)C2=O 1871429132 IZGJKEGUWZRDTJ-SLOMDMAXSA-N 428.550 5.954 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O)Nc1ccccc1Cl 1871455308 LEQXPLKBIQGNNB-YEJNLHJGSA-N 431.875 5.530 30 10 IKEE CCc1ccccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccccc1F)C2=O 1871459162 UBNRFMDAVRJJDB-QRVIBDJDSA-N 431.463 5.330 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1ccc(Cl)cc1 1872083718 MMYSVGAPUSLQRM-JOCHJYFZSA-N 449.016 5.277 30 10 IKEE Cc1cccc(C)c1OCCCC(=O)[C@H](C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872763640 QVSRLXMNAIVDOY-IBGZPJMESA-N 435.505 5.371 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccccc3C(C)C)n2)cc1C 1872765686 UVARSFIRLMXUCU-YLJYHZDGSA-N 434.561 5.894 30 10 IKEE CCCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3C)cs2)cc1OCC 1872769006 HANGUDISTKOTRC-NRFANRHFSA-N 448.588 6.495 30 10 IKEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)/C(=C\c3ccccc3)c3ccccc3)n2)c(C)c1 1872769167 LGIQLVXWIGKLIQ-NHOMFQCRSA-N 434.564 6.844 30 10 IKEE CCOc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872769282 OFKORCMGXBQYKV-AWEZNQCLSA-N 447.343 5.771 30 10 IKEE N#C[C@H](C(=O)Cc1cccc2ccccc12)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872774328 NWRWMNANSKNLGZ-HXUWFJFHSA-N 426.497 5.153 30 10 IKEE Cc1cccc(C)c1OCCCC(=O)[C@@H](C#N)c1nc(-c2cccc3ccccc23)cs1 1872775329 NRCINIFRBLQNCT-HSZRJFAPSA-N 440.568 6.616 30 10 IKEE CC(C)c1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(Cl)cc3Cl)n2)cc1 1872776333 NRDPIJCKFBHECE-LHUXKHBRSA-N 441.383 7.130 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)c1C 1872781107 OZXZIDVHPADJNN-INIZCTEOSA-N 439.924 6.095 30 10 IKEE CCCCCCCCCCNC(=O)c1cccc(COc2cccc(Cl)c2Cl)c1 1872845272 KPYLXOMSTKELQV-UHFFFAOYSA-N 436.423 7.443 30 10 IKEE Cc1nc(SCc2cccc(C(=O)Nc3ccc4c(c3)OCO4)c2)c(C#N)c(C)c1C 1872893349 TXXVFHKXSKVCNH-UHFFFAOYSA-N 431.517 5.152 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC2CCCCCC2)=C(c2cccnc2)C1=O 1873078981 XKKAYTIYWPBHLT-UHFFFAOYSA-N 425.617 5.615 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C)cc2)=C(c2cc(F)cc(F)c2)C1=O 1873318411 QDZYZCICGXANAP-UHFFFAOYSA-N 426.507 5.826 30 10 IKEE Cc1ccc(COc2ccc(/C=N/n3cnnc3SCc3ccccc3C)cc2)cc1 1873501677 IUDIRWHBOXCJJO-JFLMPSFJSA-N 428.561 5.648 30 10 IKEE CCCSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1cccc(OC)c1 1874226381 HMCKBCAQESHHQV-KOEQRZSOSA-N 438.597 5.299 30 10 IKEE CCOc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccco2)cc1 1874235846 CVFADDAFPIFFNZ-BUVRLJJBSA-N 434.521 5.023 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CC23CC4CC(CC(C4)C2)C3)nnc1SCC=C 1874244887 PSYDSYMPLHKURJ-OVVQPSECSA-N 448.636 5.762 30 10 IKEE C=C(C)CSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccc(C(C)C)cc1 1874255134 LVUZWZFFSLHREF-MZJWZYIUSA-N 448.636 6.456 30 10 IKEE CCCCC1CCC(c2nnc(SCC(=O)OCCC)n2/N=C/c2cccs2)CC1 1874287028 KBAMPMKQHBJDAF-HZHRSRAPSA-N 448.658 5.731 30 10 IKEE CCCCC1CCC(c2nnc(SCCO)n2/N=C/c2ccc(OCC)cc2)CC1 1874287254 VLBSQKPZCNTFQO-JJIBRWJFSA-N 430.618 5.107 30 10 IKEE C=C(C)CSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1ccc(O)cc1O 1874288079 MSYQLRZOIBGSHM-ZVHZXABRSA-N 428.602 5.704 30 10 IKEE Cc1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2ccccc2C(=O)O)cc1 1874420511 PXNQHSXERLEXLG-YDZHTSKRSA-N 434.546 5.188 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccccc1[N+](=O)[O-] 1874476409 NTTIQZQMAWZPMM-LPYMAVHISA-N 429.933 5.357 30 10 IKEE CCCOc1ccccc1/C=N/n1c(COC)nnc1SCc1cccc2ccccc12 1874502348 CSUCTAUHTFYNPN-WGOQTCKBSA-N 446.576 5.541 30 10 IKEE COc1ccc(OC)c(/C=N/n2c(SCc3cccc4ccccc34)nnc2C(C)C)c1 1874514995 MAJKQPNUOXERSU-CVKSISIWSA-N 446.576 5.746 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C)cc2)c1OCC(=O)Nc1ccc(C)c(C)c1 1874579781 IBIYISFLOMVWOY-FYWRMAATSA-N 429.516 5.534 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1OCc1cccc(F)c1 1874593032 OEWWJQGRSZNRGL-MHWRWJLKSA-N 438.498 6.976 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3cc(C)cc(C)c3)c2)c(C)c1C 1874598464 NFHJHOKRCYGFJP-PKNBQFBNSA-N 443.543 5.842 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(OC)c1OCc1ccccc1Cl 1874613123 DIMRSNQZBKPGLZ-KPKJPENVSA-N 443.326 6.486 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)c(C)c1C 1874626554 KTSDQNANVBRTEW-JXMROGBWSA-N 441.354 7.094 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OCc1cc(C)ccc1C 1874630573 IRPZCPKMNOHRRE-ZRDIBKRKSA-N 444.571 6.803 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc([N+](=O)[O-])c1OCc1cccc(C)c1 1874633269 UODGIBMEIRYSGS-ZRDIBKRKSA-N 445.515 6.394 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OCc1cc(C)ccc1C 1874634317 WDTUFERWBRBEHV-MDZDMXLPSA-N 448.990 7.366 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1)c1cc(Cl)ccc1Cl 1874637667 LRADDLILFPFYAN-XBXARRHUSA-N 435.709 7.261 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)CC34CC5CC(CC(C5)C3)C4)c2)cc1C 1874696338 TWRPJDRSZUESFA-SOFGYWHQSA-N 444.571 6.412 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(OC)cc3)c2)cc1 1874700323 MHJKIPVXZXSXAD-PJQLUOCWSA-N 432.472 5.218 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)Cc3ccccc3Cl)c2)cc1C 1874718089 RKRAVXRKNYNYSM-VAWYXSNFSA-N 434.919 6.010 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cccc(OC)c2)cc1[N+](=O)[O-] 1875102615 ZPNVCEVRSODWIF-FYWRMAATSA-N 439.508 6.156 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc([N+](=O)[O-])c1OC(=O)CC(C)C 1875103410 XTWAFRBYBZUVQK-FMIVXFBMSA-N 425.481 5.404 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C2CCCC2)c(Cl)c1)c1ccc(Br)cc1 1875109745 CPUNQXPDNIKVFE-VZUCSPMQSA-N 433.729 6.094 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2c(F)cccc2Cl)c(Cl)c1)c1cccc(Cl)c1 1875121244 HBBFQNQWSCVUOT-VQHVLOKHSA-N 449.692 6.901 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)CCCSC 1875133834 FCUUJKGEYFGZDG-ACCUITESSA-N 438.589 5.985 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c2)cc1 1875135980 QZXXQJXRWVMLGZ-VIZOYTHASA-N 443.499 6.316 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)c1ccc(F)c(F)c1F 1875139931 IPJLVODWVSCYEL-UXBLZVDNSA-N 440.417 5.845 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(-c4ccccc4)cc3)cc2)ccc1F 1875141102 NTFZLXRVPLETEZ-GIJQJNRQSA-N 436.482 6.916 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3C)c([N+](=O)[O-])c2)cc1C 1875175115 ZBPVCCQDAZMOPY-UKTHLTGXSA-N 443.499 5.954 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3cc(C(C)(C)C)ccc3C)cc2)cc1 1875184964 ZGRFWOFUPPAMOZ-GHRIWEEISA-N 426.556 6.645 30 10 IKEE C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1880461184 OTFNCFRUZOHUEK-DFBJGRDBSA-N 443.588 5.353 30 10 IKEE CC1(C)OB([C@@H](N)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)OC1(C)C 1883108995 RXZPIYXVLFJNQW-VWLOTQADSA-N 445.368 5.476 30 10 IKEE N#Cc1ccc(OC2CCN(C(=O)CCc3cccc(OCc4ccccc4)c3)CC2)cc1 1892401540 FCAGJJOHODYFTA-UHFFFAOYSA-N 440.543 5.140 30 10 IKEE CCc1cc(Br)c([C@@H](C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)s1 1912199628 VKAFBYPHGJKYFJ-CYBMUJFWSA-N 428.356 5.575 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](O)c1c(Br)cccc1Br 1937843139 NNGFWVCDROZBIS-ZFWWWQNUSA-N 449.183 5.105 30 10 IKEE CCCN[C@@H](CC#CC(C)(C)C)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1947478378 WRPMDNJTCDXVCH-XZOQPEGZSA-N 430.633 5.294 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1C[C@](C)(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 2001938717 LNCOZWIEVUAQDV-FOIQADDNSA-N 449.514 5.248 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)[C@H]2CC[C@@H]21 2008459924 FXWHKWMVTRTBKW-AXHZCLLHSA-N 433.593 5.238 30 10 IKEE COc1cccc(OC)c1C=CC(=O)c1c(O)nc2ccc(C)cc2c1-c1ccccc1 2054623639 OZKQTFHUSRFUAI-UHFFFAOYSA-N 425.484 5.829 30 10 IKEE C=CC[C@H](C)[C@@H](NCCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071267563 QOWWRTFTDHGJEN-MUAVYFROSA-N 429.604 7.098 30 10 IKEE Cc1ccc([C@H](n2nc(C3(C)CC3)c(C#N)c2I)C(C)(C)C)c(O)c1 2079013565 MWLUTRZOIQIRDZ-KRWDZBQOSA-N 449.336 5.060 30 10 IKEE CC(C)c1nn([C@H](c2ccc(C3CC3)cc2)C2CCC2)c(I)c1C#N 2079015894 BUYOSMSIRODYHS-FQEVSTJZSA-N 445.348 5.750 30 10 IKEE Cc1nn([C@H](c2ccc(C(F)(F)F)c(F)c2)C(C)(C)C)c(Br)c1C=NO 2079951808 YLUSVUAOUKYJIN-CQSZACIVSA-N 436.247 5.556 30 10 IKEE CCOc1ccc([C@@H](C2CC2)n2nc(C3CCC3)c(C#N)c2I)cc1 2080101730 JYAAFCKLCPIBPJ-LJQANCHMSA-N 447.320 5.025 30 10 IKEE CC(C)N[C@@]1(C#N)C[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)CC(C)(C)C1 2127181866 LYGPZYUEFIREPS-YTMVLYRLSA-N 446.683 5.460 30 10 IKEE CC(C)(C)OC(=O)Nc1c(F)cccc1C(=O)Nc1ccc(Br)c(C#N)c1 2180955328 ZAMDPJAVTVVWDN-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2cc(F)cc(C#N)c2)cc1Br 2181051094 XVSSWFOFDHRJSW-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(Nc2ccccc2Br)C12CCCC2 2204346883 NHMCZEFQBFYQDK-HXUWFJFHSA-N 434.378 5.467 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1sc(C)c(Br)c1C 2226026822 YHOSZNKVXMDZPB-WBVHZDCISA-N 445.467 6.028 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)cc1CC 2237549649 IIFDCXSBUBABMG-WOJBJXKFSA-N 439.438 5.912 30 10 IKEE CC1(C)OB(c2ccc(C(=O)N(Cc3ccccc3)CC3CCCCC3)s2)OC1(C)C 2255851003 ZMQQIGNOHWPSGG-UHFFFAOYSA-N 439.430 5.270 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NC)c1cc(Br)cc(C(C)C)c1 2266000969 OYBPDRDAIINKQO-RTBURBONSA-N 425.411 5.693 30 10 IKEE C=C(C)CCCC[C@@H](O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2271755250 MCTFUBWIPRFOFP-RBUKOAKNSA-N 426.395 5.382 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Br)cc(C(C)(C)C)c1 2273002264 ALGOXSQYHRBARQ-ZWKOTPCHSA-N 425.411 5.477 30 10 IKEE C=CCCCCCCCSCC(=O)c1cc(Br)sc1Br 2287096863 PLNCMVLRIGWMID-UHFFFAOYSA-N 440.266 6.716 30 10 IKEE Cc1cc(C)cc(N=C2NC(=O)C(=Cc3ccc(-c4cccc(Cl)c4Cl)o3)S2)c1 2294025345 IUIVQQLUBNBMEZ-UHFFFAOYSA-N 443.355 6.762 30 10 IKEE CCCCN1C(=O)C(=C2Sc3ccccc3N2CC)SC1=N[C@H](C)c1ccccc1 2295201846 HVWLYJFUIWKEQN-QGZVFWFLSA-N 437.634 6.280 30 10 IKEE CCCCN1C(=O)C(=C2Sc3ccccc3N2C)SC1=Nc1ccc(Cl)cc1 2297550040 IGUFSIMNAZDHQP-UHFFFAOYSA-N 429.998 6.114 30 10 IKEE COc1cc(C(=O)Oc2ccc(C=NC34CC5CC(CC(C5)C3)C4)cc2)cc(OC)c1OC 2297733578 YMRGZDBWGCAUJU-UHFFFAOYSA-N 449.547 5.319 30 10 IKEE CCCC1=NN(c2nc3ccccc3s2)C(=O)[C@@H]1C(C)=Nc1ccc(C(=O)OCC)cc1 2297741404 FWMNUXWEMLYVRS-OAQYLSRUSA-N 448.548 5.385 30 10 IKEE c1ccc(C(=Nc2sc(-c3ccccc3)nc2-c2ccccc2)N2CCOCC2)cc1 2297748600 CSGICMHQUZKNSH-UHFFFAOYSA-N 425.557 5.888 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@@H]2C[C@H]1C[C@@H]2NC(=O)OC(C)(C)C 2308987622 XYKMGLHAKOKUNN-WSZYKNRRSA-N 441.572 5.322 30 10 IKEE Cc1cccc(N=C2NC(=O)C(=Cc3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)S2)c1 2313510258 FTHXXDRBIMGXCR-UHFFFAOYSA-N 432.505 5.202 30 10 IKEE O=C1C(=Cc2cccc3ccccc23)SC(=Nc2cccnc2Cl)N1C1CCCCC1 2314540317 NVMIRHWBFVMQRT-UHFFFAOYSA-N 447.991 6.825 30 10 IKEE CN1C(=O)C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=Nc1nccs1 2314543109 VVPRKYONQGZFRD-UHFFFAOYSA-N 436.345 5.944 30 10 IKEE Cc1csc(N=C2SC(=Cc3cccc4ccccc34)C(=O)N2c2ccccc2)n1 2314544354 ZHUGPOSFXKDVJT-UHFFFAOYSA-N 427.554 6.413 30 10 IKEE N#C[C@H]1CCCCC[C@H]1Sc1cc(I)ccc1Br 2316465352 KVMJJGWDCVXIQR-ZWNOBZJWSA-N 436.156 5.618 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1cccc(OC)c1 2318571505 LZQBRGOTTROAHE-UHFFFAOYSA-N 435.380 5.721 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)c1 2319205756 YPUWOMMCVIEVQZ-QHAWAJNXSA-N 443.588 5.712 30 10 IKEE O=C(C=Cc1ccccc1OCc1cccc2ccccc12)c1ccc(-c2ccccc2)cc1 2322286944 NQQLYRWCQLXJPC-UHFFFAOYSA-N 440.542 7.982 30 10 IKEE COc1ccc(C=C2Oc3c(cc4c(c3C)OCN([C@H]3CCCC[C@H]3C)C4)C2=O)c(OC)c1 2322391632 GTVRCVOSKIMBGP-ZHRRBRCNSA-N 449.547 5.359 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(Cl)cc2C=CC(=O)c2ccc(C)cc2)cc1 2322595581 GOPRCLQTQICDFY-UHFFFAOYSA-N 433.935 6.124 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(OC(=O)c4cccc(Cl)c4)c3C)C2=O)cc1 2322916012 SWPIVBWDWFWVDC-UHFFFAOYSA-N 434.875 5.883 30 10 IKEE COc1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2cccs2)C3=O)cc1OC 2323069144 GQKGTINKKAVZLA-UHFFFAOYSA-N 448.496 5.309 30 10 IKEE Cc1c(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cccc1[N+](=O)[O-] 2323260528 SCALSUAZQJFZJS-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE Cc1cc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(F)c2)C3=O)ccc1[N+](=O)[O-] 2323279982 VIWXUWXBUHSBOG-UHFFFAOYSA-N 433.391 5.186 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2cccc(OCc3ccc(C)cc3)c2)cc1Cl 2323310097 JIYIDZHEVYPIJS-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE CCN(CC)C(=O)COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1Cl 2323422890 GJWQFYZEWGMWMO-UHFFFAOYSA-N 425.956 5.362 30 10 IKEE O=C(C=Cc1cccs1)Oc1ccc2c(c1)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2323517835 YUDRPOACGXIQIM-UHFFFAOYSA-N 443.307 6.290 30 10 IKEE Clc1ccc(COc2cccc(C=NNc3nc(-c4cccs4)cs3)c2)cc1 2323870533 GQLGBRROLYLWCF-UHFFFAOYSA-N 425.966 6.550 30 10 IKEE CC(C)c1ccc(C=C2Oc3c(ccc(O)c3CN3CCc4ccccc4C3)C2=O)cc1 2324111119 FFLZHYOKPFGDSE-UHFFFAOYSA-N 425.528 5.690 30 10 IKEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3cccc4ccccc34)cc2Cl)o1 2324129579 FQKYSBATSBVSGN-UHFFFAOYSA-N 446.886 6.348 30 10 IKEE C=CCOc1c(OC)cc(C=CC(=O)c2ccc(OCCCCCCC)cc2)cc1OC 2324208758 IZURAOXPAAWKDI-UHFFFAOYSA-N 438.564 6.514 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1ccc(F)c(F)c1 2324241570 LLLKWNBIQDEQME-UHFFFAOYSA-N 429.806 6.002 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccc(F)cc1 2324456223 XENOBLDLBFYRTC-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE COc1cc(OC)c(OC)cc1C=C1Oc2c(ccc(OCc3ccccc3)c2C)C1=O 2324844918 PFGNHCLAXTYREE-UHFFFAOYSA-N 432.472 5.216 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc(OC(c3ccccc3)c3ccccc3)c2C)C1=O 2325216303 HCVYHVQILQOMGB-UHFFFAOYSA-N 448.518 6.788 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccccc2C(=O)O)c1 2325471322 CLEHYCGTHVADRC-UHFFFAOYSA-N 442.544 5.050 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1cccc(OC)c1 2325532113 KEVPAPPVGIBDDA-UHFFFAOYSA-N 430.577 5.957 30 10 IKEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(Cl)cc1Cl 2325631305 DFXZZLJLGXXEAR-UHFFFAOYSA-N 446.190 6.375 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(-c3ccccc3)cc2)c1)c1cccc([N+](=O)[O-])c1 2325684162 SMSXSRXJNBKYMT-UHFFFAOYSA-N 449.462 6.377 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC(=O)CCCOc3ccccc3C)c2)cc1 2325705742 VMFNZHSXZGMODO-UHFFFAOYSA-N 428.528 6.218 30 10 IKEE CCc1ccc(C(=O)Oc2cc(C=CC(=O)c3ccc(OC)c(C)c3)ccc2OC)cc1 2325713805 WGOAQSSEVQGWND-UHFFFAOYSA-N 430.500 5.690 30 10 IKEE O=C(C=Cc1ccc(F)c(Br)c1)C(=O)NC(c1ccccc1)c1ccccc1 2325714087 HXRVFSZAJYTBQM-UHFFFAOYSA-N 438.296 5.076 30 10 IKEE CCCCc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2cccc(C)c2)C3=O)cc1 2325719701 UHXSVUJFZCETLS-UHFFFAOYSA-N 441.527 5.971 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4cc(C)cc(C)c4)c3C)C2=O)cc1 2325721921 HMWCIFPRMXJBKG-UHFFFAOYSA-N 427.500 5.554 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2cccc(OC(=O)COc3ccc(Cl)cc3)c2)cc1 2325750680 ADMILZGKQIPZGK-UHFFFAOYSA-N 434.919 6.344 30 10 IKEE O=C(COc1cc(Cl)ccc1Cl)Oc1cccc(C=CC(=O)c2ccc(F)cc2)c1 2325751371 WOBLMWZFJRMQOG-UHFFFAOYSA-N 445.273 6.013 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1ccccc1O 2325909996 WFHOKRZTRXIFMZ-UHFFFAOYSA-N 437.352 5.254 30 10 IKEE CCCOc1ccc(C=Nn2c(CCC)nnc2SCc2ccc(C#N)cc2)cc1OC 2326677559 DBFUPMMNLTVVNJ-UHFFFAOYSA-N 449.580 5.074 30 10 IKEE Clc1ccccc1CCc1nnc(SCCc2ccccc2)n1N=Cc1ccccn1 2327966609 NTROTYHBNCAENQ-UHFFFAOYSA-N 447.995 5.329 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc(OC)c2)n1N=Cc1cn(C)c2ccccc12 2328636502 MCBFBVUNCKZPBC-UHFFFAOYSA-N 445.592 5.114 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(Cl)cc3)n2N=Cc2ccccc2)c1 2329082364 GSKLMUZBRRFCSN-UHFFFAOYSA-N 432.980 6.005 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2ccccn2)cc1C 2329395633 YZFUAYFQBIEGKQ-UHFFFAOYSA-N 427.577 5.364 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2C)n1N=Cc1ccc(N(CC)CC)cc1 2329484408 KSQBVFQJAXLWIX-UHFFFAOYSA-N 447.652 5.768 30 10 IKEE COc1ccccc1C=Nn1c(SCc2ccccc2C)nnc1[C@H](C)c1ccccc1 2330057618 RNPHXPMALREQCD-HXUWFJFHSA-N 442.588 5.921 30 10 IKEE Cc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1 2330251516 AEDSSHMDTMYLIY-UHFFFAOYSA-N 449.580 5.792 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)C=Cc1ccc(F)cc1 2330538210 CQEGEEJCWNYNKY-JOCHJYFZSA-N 436.637 5.334 30 10 IKEE Oc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2-c2cccs2)cc1O 2330598767 PXSJIQMURVKJGR-UHFFFAOYSA-N 442.953 5.246 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2-c2ccccc2)cc1O 2330625419 KPBGVLQXKCAODT-UHFFFAOYSA-N 430.533 5.142 30 10 IKEE COc1cccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2-c2ccccc2)c1 2330693020 WJKKKNLLIKGVDI-UHFFFAOYSA-N 434.952 5.782 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)CSc3ccccc3)c(Cl)c2)cc1 2330747697 MHKQAGYVSYSLCV-UHFFFAOYSA-N 436.960 6.496 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1 2330961206 DKYYYEJDILEBMR-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)ccc1OC(=O)CCc1ccccc1 2330979734 WGCFDIZUGZMGOB-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cnccn2)c(Cl)c1)c1cccc(Br)c1 2331002391 LJAKVMJJQDBNJP-UHFFFAOYSA-N 443.684 5.008 30 10 IKEE Cn1c(C(=O)Oc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc2ccccc21 2331018272 OUNQOQAIJJSDIX-UHFFFAOYSA-N 426.428 5.202 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)C3CC3)c(OC)c2)cc1OCCC 2331115364 AEWNTLXCWBSNCG-UHFFFAOYSA-N 438.520 5.484 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 2331180235 LBWUCZUCLAHCAJ-UHFFFAOYSA-N 430.544 6.103 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccco3)n2N=Cc2ccc(Cl)cc2Cl)c1 2331183519 YXXRZODNKBQOLT-UHFFFAOYSA-N 443.359 6.328 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(CC)cc3)c([N+](=O)[O-])c2)cc1 2331201472 BSWWUVUYDRJNAB-UHFFFAOYSA-N 445.471 5.671 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccco3)n2N=Cc2cccs2)cc1Cl 2331225732 VBHRZKSGNVFZFF-UHFFFAOYSA-N 435.361 6.081 30 10 IKEE Cc1cnc(C(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)c(Cl)c3)cc2Cl)cn1 2331242231 GCOSLQIKDVDBGX-UHFFFAOYSA-N 447.705 5.861 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1 2331489828 GMONPYIIJHJDLA-UHFFFAOYSA-N 430.500 5.943 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(COC)nnc2SCc2ccccc2Cl)cc1 2331578109 QJMSNPSQWPIOMR-UHFFFAOYSA-N 444.004 5.099 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccccc3)c([N+](=O)[O-])c2)c1C 2331648976 IRKYQCWGDDYDRG-UHFFFAOYSA-N 429.472 5.944 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)CCc1ccccc1 2331704517 XOJMZSHXYXQOAB-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE COC1(C#C[C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCCC1 2338301721 UATIOCDYHTZCAM-AREMUKBSSA-N 442.555 5.841 30 10 IKEE CC[C@H](NC(=O)OC(C)(C)C)C(C)(C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339605230 BBVKLDHWHZFRNQ-JJJPLKNQSA-N 446.397 5.187 30 10 IKEE Cc1ccc(NC(=O)OC(C)(C)C)c(C(=O)N2CC[C@](C)(B3OC(C)(C)C(C)(C)O3)C2)c1 2342472797 QEZLZUAWEYHMAO-DEOSSOPVSA-N 444.381 5.040 30 10 IKEE N#C[C@]1(Cc2ccc(I)c(Br)c2)CCCC(F)(F)C1 2349898900 RRGZCGQDKQVGJZ-ZDUSSCGKSA-N 440.069 5.315 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NC)c1c(C)c(C)c(Br)c(C)c1C 2372286917 IRNQITRBXSWHAW-XLIONFOSSA-N 439.438 5.803 30 10 IKEE COc1cc(OC)cc(-c2nnc(SCc3ccc(C#N)cc3)n2-c2ccc(C)cc2)c1 4212718 CDSXDISTSAHLGR-UHFFFAOYSA-N 442.544 5.424 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)CCc2ccc(Cl)cc2)nc2c(C)cccc12 12240475 ABBXACKNRMNKIO-UHFFFAOYSA-N 429.911 5.134 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c[nH]c3ccccc13)N2 14544844 WHZBANUYPOABQG-NYUJMHJJSA-N 445.588 5.357 30 10 IKEE CCCCOc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(C(C)(C)C)cc1)C2 21254790 NENWTTQSCSQNIX-REWPJTCUSA-N 445.603 6.167 30 10 IKEE Cc1ccc(-c2ccc(CCC(=O)N3CCC[C@@H](C)C3)n2-c2ccc(CC#N)cc2)c(C)c1 23428784 GQJFOHAWFTVEQG-JOCHJYFZSA-N 439.603 6.018 30 10 IKEE CCOc1ccccc1[C@@H]1C2=C(C[C@@H](c3ccc(O)c(OC)c3)CC2=O)Nc2onc(C)c21 33321132 QUFAHBDDTDEJPC-GYCJOSAFSA-N 446.503 5.054 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(C)cc4)c3C)C2=O)c1OC 41284266 DOXSYHVGEXTLMO-HMAPJEAMSA-N 430.456 5.156 30 10 IKEE COc1cccc(COc2cc(C)c3c(c2)O/C(=C\c2ccc(OC)c(OC)c2)C3=O)c1 41504024 BYIMNBNXNGWCRH-CFRMEGHHSA-N 432.472 5.216 30 10 IKEE CCc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN([C@H](C)c3ccccc3)C4)C2=O)cc1 41588049 JMXXALNIXOXASG-LPANUZLBSA-N 425.528 6.087 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccccc2SCCCC)nnc1-c1cccnc1 59048155 UOHVOAOJUSJDOK-UHFFFAOYSA-N 439.610 5.149 30 10 IKEE CCn1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c2ccccc21 59676407 BMUSKFJAYTWPMZ-JVWAILMASA-N 427.573 6.604 30 10 IKEE C=CCSc1nc2ccc(NC(=O)CSc3nnc(C(C)C)n3CC=C)cc2s1 59910552 SKDGIODSLKRPKZ-UHFFFAOYSA-N 445.639 5.206 30 10 IKEE COc1ccc(NC(=O)N2CCC[C@]3(C2)Nc2ccccc2N/C3=N\C(C)(C)C)c(C)c1 97124080 BUIZYUCQGSGQRQ-RUZDIDTESA-N 435.572 5.105 30 10 IKEE CCCCCCCOc1cccc(NCC(=O)Nc2ccc(C(=O)N[C@@H](C)CC)cc2)c1 100090243 NPSPMMNWTDQAKI-FQEVSTJZSA-N 439.600 5.615 30 10 IKEE CCCCCCCCCCCCCCCCn1c(/C=C/c2ccco2)nc2ccccc21 102192573 LJNZIHIWQRBSHD-GHVJWSGMSA-N 434.668 9.281 30 10 IKEE CCCCCCCCn1c([C@@H](C)NC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21 102223277 UJFRQGKNPVCZMX-LJQANCHMSA-N 437.584 5.905 30 10 IKEE C=CCn1c(C(=O)N2CCN(c3cccc(C)c3C)CC2)c(C)c2cc(C(C)C)ccc21 169863377 NUBDFBYOGOAOMZ-UHFFFAOYSA-N 429.608 5.838 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\Nc2nc(C)cc(=O)[nH]2)cc1Br 169887640 REQQWOFNVKJDDZ-HAHDFKILSA-N 449.393 5.416 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2cc(C)ccc2C)c1 169933191 CVPIKCYSJPFHBF-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccc(N(C)C)cc2)cc1 169953723 OPVPUANUPKBTHC-QHCPKHFHSA-N 446.934 5.497 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccc(O)cc2)c(C)c1 169960414 SDFSUALROLXCAZ-DEOSSOPVSA-N 443.499 5.109 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccn2)cc1 169992281 REJNWBFBCDPULV-JOCHJYFZSA-N 446.934 5.815 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2cccc3ccccc23)[C@@H]1c1ccncc1 170021329 CDMGRHVOGAWRJT-AREMUKBSSA-N 434.495 5.337 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2C2CCCC2)cc1 170033988 OSKPAQQAIWTLQZ-HSZRJFAPSA-N 435.520 5.005 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@@H]2c2ccccc2)s1 170050650 SISADXZULGOAAK-GOSISDBHSA-N 442.899 5.335 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccc(F)cc2)cc1 170061738 YEVCKCPLCXWANR-JOCHJYFZSA-N 435.882 5.824 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccc(C(C)C)cc2)cc1C 170067396 ILHNTDQHBYGAHC-VWLOTQADSA-N 440.543 5.600 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccccc1C 170087674 MZRPEVSDDSENTO-XMMPIXPASA-N 445.490 5.230 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)[C@@H]2c2ccco2)c1 170094950 UVLMJIWPQXWTFF-HSZRJFAPSA-N 431.488 5.467 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(O)cc1 170138261 BXNHZKNWROVDEZ-HSZRJFAPSA-N 449.547 5.219 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2C2CCCCC2)c1 170145274 QVNWOBAWNGWFDI-XMMPIXPASA-N 433.548 5.693 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@H]1c1ccc(OC(C)C)cc1 170152554 RNRHENDLNNYCEM-HSZRJFAPSA-N 437.536 5.088 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2cccs2)ccc1Cl 170155233 RBWQPGRJZLQPCF-LJQANCHMSA-N 443.883 5.332 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCCC)c2)[C@@H]1c1ccc(O)c(Cl)c1 170219583 IACQDKFKCFVFQG-NRFANRHFSA-N 443.927 5.213 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2ccccc2)cc1C 170227546 IAXDMBVADGWRFR-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccccc2)c(C)c1 170228254 VIWFHRRPKOKUHI-BVZFJXPGSA-N 439.511 5.410 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2F)c1 170248111 SNTQQZQUZJOTCF-QHCPKHFHSA-N 449.453 5.535 30 10 IKEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(C4CCCCC4)[C@@H]3c3ccccc3F)ccc2O1 170251731 SCIISRPDDRVJTJ-NPMXOYFQSA-N 435.495 5.060 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1ccccc1C 170275876 RFSUXSRYUYBVFB-NRFANRHFSA-N 439.895 5.009 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@H]1c1ccco1 170284428 XVZZNPAQWLZRIK-JOCHJYFZSA-N 449.890 5.349 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2ccco2)c1 170285745 ONIKEILCKIWHRP-QHCPKHFHSA-N 429.472 5.004 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@H]1c1ccc(C)o1 170309863 VFVYXUOKXBHVKA-HSZRJFAPSA-N 439.552 5.797 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2cccc(C)c2)cc1 170341981 OFMVTHPEEYHBGN-DEOSSOPVSA-N 441.531 5.019 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(OCc2ccccc2)cc1 170438071 DMEUTSJZBQJYMT-QHCPKHFHSA-N 445.515 5.369 30 10 IKEE N#Cc1ccc(Nc2c(Br)cccc2Br)cc1Br 232130094 LZRLCZVFINCUCP-UHFFFAOYSA-N 430.925 5.589 30 10 IKEE C[C@H]1C/C(=C/c2ccc(Br)o2)C(=O)/C(=C/c2ccc(Br)o2)C1 245294811 APRXJXKHNDDTQQ-YPSSQUIVSA-N 426.104 5.864 30 10 IKEE CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1C=Nc1ccc2c(c1)oc1ccccc12 252637284 XREVEVJIGHQCDH-UHFFFAOYSA-N 443.547 7.363 30 10 IKEE Cc1ccc(N=C2S[C@H](CC(=O)Nc3c(C)cccc3C)C(=O)N2Cc2ccco2)cc1 254296935 VLVDAZOIXWWVEG-OAQYLSRUSA-N 447.560 5.365 30 10 IKEE COc1cccc(OCCCOc2cccc(C=NNc3nc4ccccc4s3)c2)c1 254844382 KSIONBJPBMFFLC-UHFFFAOYSA-N 433.533 5.599 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(Cl)cccc1Br 407519993 NPHQGRVKHDLYJT-SJLPKXTDSA-N 445.829 6.003 30 10 IKEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCc1cc2ccccc2nc1O 502979614 JAOJQISLLXMKKZ-UHFFFAOYSA-N 437.499 5.271 30 10 IKEE CCCOc1ccc(/C=N\n2c(C)nnc2SCc2ccc(Cl)cc2)cc1[N+](=O)[O-] 526806657 PDYJHNFUNYRVMC-UUYOSTAYSA-N 445.932 5.111 30 10 IKEE CCCOc1ccc(/C=N\n2cnnc2SCc2cccc(C)c2)cc1Br 526808034 HQBPRCAMOUFROP-FMCGGJTJSA-N 445.386 5.312 30 10 IKEE CCCCc1nnc(SCc2cccc(C(=O)OC)c2)n1/N=C\c1cccc(Cl)c1 526826683 BXCAFWKITCOILO-OYKKKHCWSA-N 442.972 5.235 30 10 IKEE O=C(CC(c1ccccc1)c1ccccc1)NCC#CCOc1cccc(C(F)(F)F)c1 585254362 ASIACNANVUXDHQ-UHFFFAOYSA-N 437.461 5.426 30 10 IKEE CCOc1ccc(NC(=O)c2cccc(NC(=O)Nc3cccc(C#N)c3)c2)cc1OCC 586729318 HICLYVYUGGNVHD-UHFFFAOYSA-N 444.491 5.252 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1cc(F)c(F)c(F)c1 698497694 NSXWKWDONLYUPK-INIZCTEOSA-N 441.247 5.873 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@](C)(C#N)c1ccc(Br)cc1F 698916057 NJCIZTPKFSSRBK-HXUWFJFHSA-N 437.284 5.908 30 10 IKEE Cc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)c(Br)c1 710778396 SCRJDPQELWZDLU-GOSISDBHSA-N 435.749 6.417 30 10 IKEE C=C1CCC(C[C@@H](NCC)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 724570396 QZWVOZLDBCEMFB-RPWUZVMVSA-N 429.649 5.126 30 10 IKEE Cc1cc(C=Nc2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 1082988403 CGVKPHSIUMXUIM-UHFFFAOYSA-N 437.927 5.033 30 10 IKEE C=C(C)c1cccc(NC(=O)CCSCc2nc(O)c3c4c(sc3n2)CCC4)c1 1636945506 VYHIMKFZHVCDNC-UHFFFAOYSA-N 425.579 5.181 30 10 IKEE O=C1/C(=C\C(Cl)=C\c2ccccc2)SC(=Nc2nccs2)N1C1CCCCC1 1772732984 GFUPSPWZRYUOGA-OFHYOOSCSA-N 429.998 6.203 30 10 IKEE CC(=C/c1ccccc1)/C=C1/SC(=NN=Cc2ccccc2)N(Cc2ccco2)C1=O 1772758424 VCKJKVIAIPWHTM-KTUHFIDESA-N 427.529 5.733 30 10 IKEE N#Cc1cccc(C(=O)NCc2ccc(OC(=O)Nc3ccc(C(F)(F)F)cc3)cc2)c1 1858913057 OHCZBMBUOZPZQN-UHFFFAOYSA-N 439.393 5.118 30 10 IKEE C=CCN(CC=C)C(=O)Oc1cccc2c(NC(=O)c3cc4ccccc4[nH]3)cccc12 1858952908 IIAUQUVTUJHPAZ-UHFFFAOYSA-N 425.488 5.746 30 10 IKEE C[C@H](Sc1nc(O)c(C#N)c(-c2ccccc2Cl)n1)C(=O)Nc1ccccc1Cl 1860826700 JRAISJSLIZCUQB-NSHDSACASA-N 445.331 5.147 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccccc1F 1861468050 IMHDGZHPOJPURQ-DEOSSOPVSA-N 444.566 5.563 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCC)NC(=O)/C=C/c1ccc(Cl)c(Cl)c1 1861568440 SYLAVIWEMCSDNO-PKHIPVCBSA-N 427.416 5.768 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccccc2)cc1 1862387811 TXRKISCQKBPEGH-XMMPIXPASA-N 426.516 5.203 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@H]2c2cccc(C)c2)cc1 1862412430 DQSOMMMYJPVRQV-HSZRJFAPSA-N 449.453 5.060 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862448376 MAYDXLKPICMSKU-IBGZPJMESA-N 428.872 5.017 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862452287 YPXIOJOHRCPQBX-SFHVURJKSA-N 438.738 6.025 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccccc2C(=O)O)cc1 1862477735 QKOWLXMIFXSKEW-QHCPKHFHSA-N 445.515 5.162 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)cc1 1862478633 MTASVASBSCUYRJ-JKFKMHIGSA-N 433.548 5.551 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccc(C)cc2)cc1 1862479064 XVCYNGVAUAXTIC-RUZDIDTESA-N 441.527 5.481 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cc(Cl)c(O)c(OC)c1 1862497117 CBCGVTBLEJWWLW-HXUWFJFHSA-N 443.927 5.049 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccc(F)cc2)ccc1F 1862502369 YANYALLQNOPNBY-WAIKUNEKSA-N 433.454 5.613 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccccc2Cl)ccc1F 1862503007 NSOUNCCAYAHGSW-QFIPXVFZSA-N 441.930 6.089 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)ccc1F 1862503363 WEFJYBFANYOFHZ-WAIKUNEKSA-N 449.909 6.127 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(O)c(OC)c1 1862506310 YSYDGMSWQBYECL-QFIPXVFZSA-N 441.499 5.007 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(Cl)cc1Cl 1862508818 RBCJMLYQXODWFK-IBGZPJMESA-N 436.310 5.819 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862521602 MFJDVDGJLBJCTH-FQEVSTJZSA-N 445.437 5.259 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1cccc(C)c1 1862523767 OVEPPFPTIWPPLJ-HXUWFJFHSA-N 442.353 5.526 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@H]2c2ccc(O)cc2)cc1 1862534381 SBEBZIBLNKMRSA-QHCPKHFHSA-N 447.918 5.387 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1cccc(Cl)c1)c1ccc(F)cc1 1862675327 HWWQMGRGFLLURV-OAQYLSRUSA-N 439.845 5.397 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1c(Cl)cccc1Cl 1862716679 LOQHWFIPGUDUET-OAQYLSRUSA-N 440.326 6.133 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(Cl)cc1 1862725652 OHTHPSGBGGUNMH-HSZRJFAPSA-N 429.903 5.771 30 10 IKEE CCCCCCN1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863284324 LMNLORUBKSAESU-UHFFFAOYSA-N 442.346 5.637 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccc(C#N)cc3)C(=O)N(Cc3cccc(Cl)c3)C2=O)c1 1863402121 QWQRELIBYANVTH-UHFFFAOYSA-N 441.918 5.221 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCC)=C(c2cc(OC)ccc2OC)C1=O 1863717459 NMUQEQNIOXJKDN-UHFFFAOYSA-N 444.616 5.314 30 10 IKEE Cn1nc(-c2ccccc2F)c(C#N)c1NC(=O)CCCOc1ccc(Cl)cc1Cl 1866014212 XIWLOQVKHSRSQF-UHFFFAOYSA-N 447.297 5.202 30 10 IKEE CC[C@@H](NC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1ccccc1C#N 1866991160 LLVWSUAKNSDBHZ-UYAOXDASSA-N 432.351 5.138 30 10 IKEE CCc1nc(Nc2ccccc2C#N)cc(N2C[C@@H](c3ccccc3)Cc3ccccc32)n1 1868286578 NTJAMXKPFPUWJP-QHCPKHFHSA-N 431.543 6.132 30 10 IKEE CN(CC(C)(C)C)c1cc(Nc2ccc(C#N)cc2)nc(-c2ccc(C(C)(C)C)cc2)n1 1868553026 OWYXUVOYFMODRP-UHFFFAOYSA-N 427.596 6.539 30 10 IKEE CCCCCCCOc1cn(C[C@H]2CCCO2)c(CN(CCCC)CCCC)cc1=O 1870411258 ZUFKRGMHYMMSHN-XMMPIXPASA-N 434.665 5.779 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OC(C)C)c(=O)cc1CN1C[C@@H](C)C[C@H](C)C1 1870477855 CYGKVFSULLEFCQ-VXKWHMMOSA-N 448.648 5.017 30 10 IKEE C=CCOc1cn(Cc2ccc(Cl)cc2)c(CNc2ccc(C)c(Cl)c2)cc1=O 1870812218 QRJJBJUHQUXZOQ-UHFFFAOYSA-N 429.347 5.689 30 10 IKEE CCCCCCCCn1cc(OCCCCCC)c(=O)cc1CNc1ccc(Cl)cc1 1871125422 ZKKLROFPRJMXSM-UHFFFAOYSA-N 447.063 7.433 30 10 IKEE CCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CNc1ccc(C(C)C)cc1 1871258384 SAPCTAIAYWVRDD-UHFFFAOYSA-N 440.672 7.369 30 10 IKEE Cc1ccc(CCC(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1 1871367427 KYYADVJUVWCOPN-HAHDFKILSA-N 443.455 5.366 30 10 IKEE Cc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cn(C)c4ccccc24)C3=O)cc1C 1871372624 BLDREFCIAWFVAF-MXAYSNPKSA-N 437.495 5.939 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C)o2)C3=O)c(OCC)c1 1871386932 VNADDSRUFZVIND-UCQKPKSFSA-N 434.444 5.221 30 10 IKEE COc1ccccc1/C=C1\Oc2c(ccc(O[C@@H](C)C(=O)Nc3ccc(F)cc3)c2C)C1=O 1871400893 NWPNUXIQIVQZFF-ZGWJWYQGSA-N 447.462 5.165 30 10 IKEE C[C@@H](Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O)C(=O)Nc1ccccc1Cl 1871407366 XSLMRSBCCYPEGC-UAAGNOOKSA-N 425.893 5.424 30 10 IKEE CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 1871408017 SZHYTEZAEIDEDX-DNPFKWNUSA-N 447.462 5.247 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)o2)C3=O)c(C)c1 1871413193 BRCAJORDWRWZLK-QRAWFLTRSA-N 431.488 5.535 30 10 IKEE CCCN(CCC)C(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871431126 VSGZPNGDVBHTSY-IWIPYMOSSA-N 435.564 5.762 30 10 IKEE CCCN(CCC)C(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 1871431130 VXMVVEVPKQBJEO-JLPGSUDCSA-N 449.591 5.936 30 10 IKEE C[C@@H](Oc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O)C(=O)Nc1ccc(C#N)cc1 1871436111 MTXRKRMIKIOSKR-HQXWYHRWSA-N 444.874 5.234 30 10 IKEE CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871448010 GBXMROARRZJHAN-ACMDDDSKSA-N 445.446 5.051 30 10 IKEE Cc1cccc(COc2cc(C)c3c(c2)O/C(=C\c2ccc(Cl)cc2Cl)C3=O)c1 1871455731 XTNVRADTQNIRKB-YVNNLAQVSA-N 425.311 6.805 30 10 IKEE C=CCN(CC=C)c1nc(=NCCCCCCCC)nc(Nc2ccc(Cl)cc2C)[nH]1 1871568524 XJIUTDSHEAVFQX-UHFFFAOYSA-N 443.039 5.950 30 10 IKEE CCCCCCCCCCNC(=O)c1nonc1OCCCCOc1ccccc1C 1872706579 FWILVSVHJJWYPQ-UHFFFAOYSA-N 431.577 5.487 30 10 IKEE CN(C)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1[N+](=O)[O-] 1872760776 XOZURDADAYRFJM-LJQANCHMSA-N 442.500 5.428 30 10 IKEE CC(C)c1ccccc1O[C@@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(C(C)(C)C)cc2)cs1 1872773053 JZMDZMLJAXPUNH-AVRDEDQJSA-N 446.616 6.875 30 10 IKEE CCCOc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 1872773077 KPISTUUOYCJAGP-JOCHJYFZSA-N 432.589 6.315 30 10 IKEE C=CCN(CC=C)C(=O)c1ccc2nc(SCCCOc3ccc(Cl)cc3)[nH]c2c1 1872816918 YDXLFRQAVZMYOE-UHFFFAOYSA-N 441.984 5.592 30 10 IKEE Cc1cc(C)c(C2=C(Nc3ccc(C#N)cc3)C(=O)N(Cc3ccccc3F)C2=O)c(C)c1 1873326832 CJWBPATVNRGIKD-UHFFFAOYSA-N 439.490 5.015 30 10 IKEE C=CCN(CC=C)c1nc(Nc2ccc(F)c(F)c2F)c2cnn(-c3ccccc3)c2n1 1873481738 NCMCLHQMRDHWRQ-UHFFFAOYSA-N 436.441 5.155 30 10 IKEE CCCCCCCCCCNC(=O)COc1ccc2c(CCCC)cc(=O)oc2c1C 1873936398 FYSCOHLTMCRZBG-UHFFFAOYSA-N 429.601 6.080 30 10 IKEE CCSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1cccc2ccccc12 1874223199 YHWHTENDYQNJGH-ZXVVBBHZSA-N 444.604 6.000 30 10 IKEE CCCOc1ccc(/C=N/n2c(COc3ccc(CCC)cc3)nnc2SCC)cc1 1874257643 LJNGWZLFUVKZLB-KOEQRZSOSA-N 438.597 5.593 30 10 IKEE CCCCC1CCC(c2nnc(SCC)n2/N=C/c2cc(OC)ccc2OC)CC1 1874285164 RWFOSJIDPCOYST-LFVJCYFKSA-N 430.618 5.754 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2)n1/N=C/c1cc(Cl)ccc1O 1874317937 SDLNBDYNQHQQIF-HZHRSRAPSA-N 430.961 5.033 30 10 IKEE CCSc1nnc(-c2ccccc2Cl)n1/N=C/c1cccc(OCc2ccccc2)c1 1874366821 VWLHHHQFNFHRSQ-WGOQTCKBSA-N 448.979 6.172 30 10 IKEE CCCSc1nnc(Cc2ccccc2F)n1/N=C/c1c(OC)ccc2ccccc12 1874376732 LIZKVQFJTHAVNS-WGOQTCKBSA-N 434.540 5.554 30 10 IKEE Fc1ccc(/C=N/n2c(COc3ccccc3)nnc2SCc2ccccc2)c(F)c1 1874384426 OMYHSHMYXSZOFC-VULFUBBASA-N 436.487 5.310 30 10 IKEE C=C(C)CSc1nnc(CC(C)(C)C)n1/N=C/c1ccc(OCc2ccc(C)cc2)cc1 1874438283 SUROZROAMUEMNX-JVWAILMASA-N 448.636 6.305 30 10 IKEE Fc1ccc(CSc2nnc([C@H]3CCCO3)n2/N=C/c2c(F)cccc2Cl)cc1 1874442398 BDTXAGGVWXXBOQ-SFQCIDFKSA-N 434.899 5.236 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc([C@H]2CCCO2)n1/N=C/c1ccccc1 1874449339 ZLKBOPOJUWUELR-BYWZACNXSA-N 433.364 5.611 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C2CCCC2)cc1 1874457098 AHLONWCYYLKQFZ-BRJLIKDPSA-N 449.382 6.556 30 10 IKEE CCCCc1nnc(SCc2ccccc2C)n1/N=C/c1ccc(OCC)c(OC)c1 1874475305 SWJNTUDNGIORCV-PCLIKHOPSA-N 438.597 5.511 30 10 IKEE COc1cc(/C=N/n2cnnc2SCc2ccc(F)cc2)ccc1OCc1ccccc1 1874536325 XYROXIHJHKRJIJ-MZJWZYIUSA-N 448.523 5.179 30 10 IKEE Fc1ccc(Br)cc1/C=N/n1cnnc1SCc1ccccc1Cl 1874538748 UPFKQSUETJQCHD-ODCIPOBUSA-N 425.714 5.008 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c1OCc1ccccc1F 1874569949 LBCXLXBVEMAPJS-VHEBQXMUSA-N 438.498 6.976 30 10 IKEE O=C(COc1ccc2ccccc2c1/C=C/C(=O)c1cccc(Cl)c1)Nc1ccccc1 1874577487 PQDALUSLJJQDDY-CCEZHUSRSA-N 441.914 6.407 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cc(Br)ccc2OCc2ccccc2)c(C)c1 1874590170 WQWNZBLGCFZPCF-PKNBQFBNSA-N 435.361 6.849 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1OCc1ccc(F)cc1 1874600740 APDWHVKCRSTRHF-ONNFQVAWSA-N 431.290 6.616 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccccc3C)c2)cc1C 1874601128 VSCLZSXUAOIAKJ-OUKQBFOZSA-N 429.516 5.534 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1ccccc1Cl 1874608899 NCCCDFYGAJFRAH-YRNVUSSQSA-N 445.715 6.717 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OCc1ccc([N+](=O)[O-])cc1 1874611776 QLDUEMSGHNZYKO-VZUCSPMQSA-N 439.414 5.747 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCc3cc(C)ccc3C)c([N+](=O)[O-])c2)cc1 1874613951 VSXNEJGOPCRHHS-NTUHNPAUSA-N 431.488 6.085 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OCc1nc(O)c2ccccc2n1 1874618439 ARGLHTFCFOIJRV-ZRDIBKRKSA-N 440.499 5.436 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2OC)ccc1OCc1cccc(C)c1 1874632673 PFKREUUJAZXCPA-UKTHLTGXSA-N 432.516 5.886 30 10 IKEE CCCOC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OCC 1874633182 PKPIYDMTNNPOBX-CSKARUKUSA-N 430.928 5.584 30 10 IKEE O=C(CC12CC3CC(CC(C3)C1)C2)Oc1cccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c1 1874698296 PHNWOSUUMOEZBS-RUDMXATFSA-N 445.515 6.003 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OC(=O)c1cc2ccccc2n1C 1874700981 VXKQBGQUKZBHPO-NTUHNPAUSA-N 445.902 5.956 30 10 IKEE O=C(Cc1ccc(F)cc1F)Oc1cccc(/C=C/C(=O)c2cccc3ccccc23)c1 1874708182 QLTHBSQFVURMHC-SDNWHVSQSA-N 428.434 6.162 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2)c([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 1875078355 LVEFINSGCGKFPR-GZTJUZNOSA-N 449.462 6.377 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccc(OC)cc3)c(OC)c2)cc1 1875100817 FOCNIGZMNLZWSF-CXUHLZMHSA-N 444.527 5.701 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(Cl)c1OC(=O)CC(C)(C)C 1875102532 VPRIVSUMBHMJGV-ZHACJKMWSA-N 430.928 5.985 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)Oc3ccc(Cl)cc3)cc2)c1 1875102633 KWQOMKYIOPZYGC-BXUGYJKXSA-N 436.891 5.618 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3F)cc2)cc1 1875120357 QGHRYMPECJWGOC-OVCLIPMQSA-N 436.454 5.934 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(F)cc1F 1875125543 NYMSFUATAIQISY-QDEBKDIKSA-N 442.845 6.132 30 10 IKEE C[C@H](C(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-])c1ccccc1 1875126692 UIPHMNMHMZVNCE-UDYBNVKDSA-N 435.863 5.853 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2OC)cc(OC)c1OC(=O)c1ccccc1 1875144558 VWNHYNYWBITLQO-BUHFOSPRSA-N 442.511 5.856 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3)c(Br)c2)cc1C 1875175571 WGXZDBBAGWUYQI-FMIVXFBMSA-N 449.344 6.110 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OC(=O)[C@@H](C)c2ccccc2)cc1 1875180758 XDFAHRWRLSDUBG-BJRSVTDJSA-N 434.919 6.262 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)C(F)(F)F)c(Cl)c1 1875180982 ILFRBKMRUDOQPJ-HWKANZROSA-N 433.209 5.674 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)[C@H]3CCCO3)c(Br)c2)c(C)c1 1875183060 ITWWTKDLQXFTHI-HSTAZWAASA-N 443.337 5.355 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3)c(Br)c2)c(C)c1 1875183181 OAZMNOQLRKLNPG-PKNBQFBNSA-N 449.344 6.490 30 10 IKEE CC#CCCCC[C@@H](NCC)c1ccc(I)c(Br)c1 1885235801 IVURAWZBJQTMKD-MRXNPFEDSA-N 434.159 5.288 30 10 IKEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)Nc2ccccc2C(F)(F)F)CC1 1890045813 BRQAFSITSVFZMT-UHFFFAOYSA-N 446.454 5.149 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCCC)c2cc(Br)ccc2F)C1 1892691530 MTSRIDQZWWIPFE-QGZVFWFLSA-N 427.358 5.242 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1ccc(CCNC(=O)OC(C)(C)C)cc1 1922075857 ACEUMRVOOKUKKH-RUZDIDTESA-N 438.612 5.568 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1 1941060686 DLMBRORZIXLDBA-YADARESESA-N 431.577 5.568 30 10 IKEE C=C1CCC(C[C@@H](CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)NCC)CC1 1947468520 DZMZMVQRALGFIR-DEOSSOPVSA-N 429.649 5.128 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)CC12CC2 1949375433 YKBQBXWKWFVPTQ-DEOSSOPVSA-N 427.545 5.254 30 10 IKEE CCCCCCC[C@]1(C(=O)O)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1951702509 JIBCOHDBJKZTCN-MHZLTWQESA-N 435.564 6.073 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@H](C#N)[C@]1(C)CCCN1C(=O)OC(C)(C)C 1991923363 NPHCNZXGWOIDBS-VGSWGCGISA-N 435.590 5.167 30 10 IKEE C=C(COCc1ccccc1)[C@H](NC)[C@@H]1C[C@@H]2CCCC[C@H]2N(C(=O)OC(C)(C)C)C1 2009421405 VFRPBPIACYIKOD-KEZOAJOQSA-N 428.617 5.163 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@](C)(C#N)[C@H]1CCCSC1 2029444613 VKEAMUOXHAEXLO-LIRRHRJNSA-N 425.392 5.616 30 10 IKEE O=C(C(=Cc1c(Cl)cccc1Cl)c1nc2ccccc2[nH]1)c1ccc(Cl)cc1 2040458965 MPKIJXNGVPYIJR-UHFFFAOYSA-N 427.718 6.947 30 10 IKEE CCCN[C@]1(C#N)C[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)CC[C@@H]1C 2055581784 BFQUESOGRMXNNW-WIRXVTQYSA-N 432.656 5.071 30 10 IKEE CC[C@@H](c1ccc(C(F)(F)F)cc1)n1nc(C2(C)CC2)c(C=NO)c1Br 2079905034 UYMYEXIQOWSRQU-AWEZNQCLSA-N 430.268 5.523 30 10 IKEE COc1ccc([C@H](n2nc(C(C)(C)C)c(C=NO)c2Br)C(C)(C)C)cc1C 2080008038 RONJCUJWSJRRPS-SFHVURJKSA-N 436.394 5.704 30 10 IKEE C=CCCN(Cc1ccccc1)c1c(CNC(C)(C)C)ccc(Br)c1Cl 2129194464 SXMMWJWMCLJBOT-UHFFFAOYSA-N 435.837 6.573 30 10 IKEE CN(c1cc(Br)cc(F)c1C#N)[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21 2190472865 VYLLHIHUUMEDAR-NWUWZPLHSA-N 429.333 5.280 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](Nc2cc(Br)c(C#N)cc2F)[C@H]1C(C)(C)C 2192489408 WMPMPIWUVCNCIV-RDJZCZTQSA-N 440.357 5.296 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(C)c(Br)cc1C 2201064801 ZYIFUIBEEGYEPS-VQTJNVASSA-N 437.422 5.413 30 10 IKEE C=CCCCCCCCCC(=O)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2207433305 YHFUHLLZEYGRQU-UHFFFAOYSA-N 438.406 7.286 30 10 IKEE C=CC[C@@](C)(CO)N(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1OC 2211047507 XQDOMJAQKPDLJT-NDEPHWFRSA-N 443.543 5.778 30 10 IKEE Cc1sc([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)c(Br)c1C 2229248904 ZXAQMMVSGQKNRP-INIZCTEOSA-N 441.435 6.652 30 10 IKEE CCCc1ccc(C#C[C@@H](CCCN(Cc2ccccc2)C(=O)OC(C)(C)C)NCC)cc1 2231230458 LLZWRQXIYDJWRQ-HHHXNRCGSA-N 448.651 6.186 30 10 IKEE CSc1cccc(Nc2ccc(Br)cc2I)c1C#N 2231654452 CRRSWDQZBICTNO-UHFFFAOYSA-N 445.123 5.391 30 10 IKEE Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)Nc1ccc(Br)cc1C#N 2237310564 IZLIZKOUCOBEFA-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE CCCCCC#CC[C@H](N)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237405093 NCSGDNUPMUYRAQ-PMACEKPBSA-N 437.422 5.186 30 10 IKEE Cc1csc(C(=O)N(Cc2ccccc2)c2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2255634871 CPPQTOORAIQJFA-UHFFFAOYSA-N 433.382 5.203 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1sc(Br)c(C)c1C 2265931414 DHEBJUZFCMMCOP-JKSUJKDBSA-N 445.467 6.028 30 10 IKEE Cc1cc(I)ccc1Nc1ccc(C#N)c(Br)c1F 2268264121 PEHXTBFYUFSDAJ-UHFFFAOYSA-N 431.046 5.117 30 10 IKEE C=CCC[C@H](OCCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2275592463 KKWNVJZUJWKVIJ-VWLOTQADSA-N 446.543 6.343 30 10 IKEE C=C(COCC)[C@@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2277278576 VIRBWPYOXCFWFI-MUUNZHRXSA-N 447.575 5.454 30 10 IKEE CCN[C@H](C#CC1CCCCC1)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2289683888 ISYHFZHXNNLBHV-HXUWFJFHSA-N 435.406 6.030 30 10 IKEE C=CCc1cc(C=C2SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(OC)c1OC 2294623754 ATVFAOIDIAAAQS-UHFFFAOYSA-N 449.956 5.631 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(Nc2ccccc2Br)C[C@@H]1C(F)(F)F 2294738709 PIMHAGIZASZLDQ-RHSMWYFYSA-N 448.283 5.085 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)C(C)(C)CCNC(=O)OC(C)(C)C 2296279795 SMEAUSJCJABZML-IBGZPJMESA-N 437.422 5.110 30 10 IKEE CCCCCCCCN1C(=O)C(=C2C(=O)N(CCCC)c3ccccc32)SC1=S 2296538236 IHCGQYKIADLTFE-UHFFFAOYSA-N 430.639 5.765 30 10 IKEE Cc1cc(N2C(=O)C(=O)C(=C(O)c3ccc(Cl)cc3)[C@@H]2c2ccc(C(C)C)cc2)no1 2296564516 CIASECJJAFKZNO-NRFANRHFSA-N 436.895 5.386 30 10 IKEE CCCCCCCCOc1ccc(C=C2N=C(c3cc(Cl)ccc3OC)OC2=O)cc1 2297287247 VDWQILURVVPFFS-UHFFFAOYSA-N 441.955 6.432 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@](C#N)(N(Cc1cccs1)C(=O)OC(C)(C)C)C2 2304989621 MEFKQNBVDCYHFV-CEXJFXJFSA-N 447.601 5.167 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2308985831 NGVKMMMPOLTLRU-QSWVLOPZSA-N 447.620 5.532 30 10 IKEE COc1cc(C(=O)Oc2cccc(C=CC(=O)c3ccc(C)cc3)c2)cc(OC)c1OC 2314429842 PZLPPAAWISQIFV-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE Cn1cc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C2CC2)c2ccccc21 2320919076 COARQYCHMQVVQZ-UHFFFAOYSA-N 439.947 5.614 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=CC=Cc1ccccc1)O3)CN(CCc1ccc(F)cc1)CO2 2321937181 RNWVXUJAXGWGOY-UHFFFAOYSA-N 441.502 5.701 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)O3)CN(CCC1=CCCCC1)CO2 2322107733 QYLMJVZKTVMQOQ-UHFFFAOYSA-N 446.503 5.562 30 10 IKEE COc1ccc(C=C2Oc3c(ccc4c3CN(CCCCc3ccccc3)CO4)C2=O)cc1 2322248826 OYLKOZJDVHQXAB-UHFFFAOYSA-N 441.527 5.486 30 10 IKEE COc1ccc([C@H](C)N2COc3cc(C)c4c(c3C2)OC(=Cc2sccc2C)C4=O)cc1 2322248837 QMCNDPUUQMVAML-KRWDZBQOSA-N 447.556 5.903 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccccc2C=CC(=O)c2ccc3ccccc3c2)c1 2322312607 USDHASCBHUOXDY-UHFFFAOYSA-N 435.523 6.370 30 10 IKEE CCc1ccc(C(=O)C=Cc2c(OCc3cccc4ccccc34)ccc3ccccc23)cc1 2322353569 IQJFWYLFJFFQNU-UHFFFAOYSA-N 442.558 8.031 30 10 IKEE CCOc1ccc(C=C2Oc3c(cc4c(c3C)OCN([C@H]3CCCC[C@H]3C)C4)C2=O)cc1 2322391728 AIIPKHKDYSTFDI-HXOBKFHXSA-N 433.548 5.741 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1cccc([N+](=O)[O-])c1)C3=O)CN([C@@H]1CCCC[C@H]1C)CO2 2322391869 YUZOMVBSYNKBGC-QVKFZJNVSA-N 434.492 5.250 30 10 IKEE O=c1c(Cl)c(NN=Cc2ccc(Cl)cc2)cnn1-c1ccc(Cl)c(Cl)c1 2322617389 PWACCVUEBXEOHC-UHFFFAOYSA-N 428.106 5.292 30 10 IKEE CCCOC(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccc(OC)cc1OC 2322904233 LCUIRBYIUMMWFX-UHFFFAOYSA-N 434.488 5.085 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1OCCc1ccccc1 2323040714 XTOYAXHQQMKSTF-UHFFFAOYSA-N 434.535 6.880 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)c4ccc(F)c(F)c4F)cc(C)c3C2=O)cc1 2323126920 ZKUKKGYVUAFIOI-UHFFFAOYSA-N 440.373 5.256 30 10 IKEE Cc1c(OC(=O)C=Cc2ccc(C(C)C)cc2)ccc2c1OC(=Cc1ccncc1)C2=O 2323503974 ZHIRCMISKGWGAA-UHFFFAOYSA-N 425.484 5.748 30 10 IKEE COC(=O)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2C)C3=O)cc1 2323606834 DEILDKYHDVCADP-UHFFFAOYSA-N 440.451 5.017 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2OC)cc(OC)c1OCCc1ccccc1 2323718545 BJRPKCCAUVPAET-UHFFFAOYSA-N 428.528 5.950 30 10 IKEE CCCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2C)C3=O)cc1 2323934906 ZLRAZJWOUCBROY-UHFFFAOYSA-N 442.467 5.536 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)c1 2324014957 VSVICNOGPSNENL-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE COC(=O)c1ccc(C=C2Oc3c(ccc(OCCCOc4ccccc4)c3C)C2=O)cc1 2324241205 UHCOREKBJOHMGC-UHFFFAOYSA-N 444.483 5.246 30 10 IKEE Cc1cc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc2c1C(=O)C(=Cc1ccco1)O2 2324903240 TWDLOMYYRYZLJO-UHFFFAOYSA-N 443.377 5.241 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2cccs2)C3=O)c(Cl)c1 2325298925 HMIWEEQIPJYVGB-UHFFFAOYSA-N 439.920 5.652 30 10 IKEE Cc1c(OCCC(=O)Nc2ccccc2)ccc2c1OC(=Cc1ccc(N(C)C)cc1)C2=O 2325485905 OKWAZHBIZOEXPL-UHFFFAOYSA-N 442.515 5.085 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCC(=O)NCc4ccccc4Cl)cc(C)c3C2=O)c1 2325642782 CWSHHGOKOZHXAK-UHFFFAOYSA-N 447.918 5.268 30 10 IKEE CCCOc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 2325684191 WMWYQQRJAJXWBG-UHFFFAOYSA-N 445.471 5.428 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4OC)cc(C)c3C2=O)cc1 2325736461 GWONWJIUWCSADL-UHFFFAOYSA-N 443.499 5.200 30 10 IKEE CCCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1N=Cc1ccccc1 2325859494 QLMMXIHDYJSHJI-UHFFFAOYSA-N 436.625 5.972 30 10 IKEE CCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccccc1OCc1ccccc1 2326238700 SQCQVKYKKKSSEO-UHFFFAOYSA-N 446.551 5.733 30 10 IKEE CCCCCCOc1ccccc1C(=O)C=Nn1cnnc1SCc1ccc(C#N)cc1 2326660509 ZVJBPZCVDCVOEL-UHFFFAOYSA-N 447.564 5.118 30 10 IKEE CCCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(OC)c(OC)c1Cl 2326733682 NMVIQPJIALCKCI-UHFFFAOYSA-N 448.951 5.215 30 10 IKEE CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccc(C(C)(C)C)cc1 2326906540 QQWHPDOHJWRNRR-UHFFFAOYSA-N 436.669 6.329 30 10 IKEE C=CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccc(OCC)cc1 2326924237 MVMSNFQQLIWINE-UHFFFAOYSA-N 436.625 5.596 30 10 IKEE Clc1ccccc1OCc1nnc(SCCc2ccccc2)n1N=Cc1ccco1 2327660394 RRPKSZODKUUEKY-UHFFFAOYSA-N 438.940 5.321 30 10 IKEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1cccc(OCCC)c1 2328075302 IUFLEMUDBSZBMT-UHFFFAOYSA-N 441.000 5.666 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2cccs2)n1N=Cc1cccc(O)c1 2329636291 ODIHKMVPVJSFSR-UHFFFAOYSA-N 434.590 5.313 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccccc3)n2N=Cc2ccccc2O)c1 2329888265 XSPGFPHEUCOFLX-UHFFFAOYSA-N 430.533 5.046 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2N=Cc2ccc(O)cc2)cc1 2330020634 KQTPHURCYKEHAP-UHFFFAOYSA-N 448.979 5.711 30 10 IKEE CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1ccc(OCc2ccccc2)cc1 2330047550 GZAPQNPTTVSSHD-LJQANCHMSA-N 428.561 5.613 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2-c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 2330621903 LKAOJSBBSRYBEU-UHFFFAOYSA-N 449.462 6.377 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)cc1 2330625208 KBWDYKQHNUIQMU-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c(Cl)c2)c1 2330781080 DESNGYPMVQDOEY-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3ccccc3)c(OC)c2)c1 2330800014 FFKOPLWJHRDXMT-UHFFFAOYSA-N 446.499 5.365 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Cl)c(OC(=O)c2ccc(F)cc2)c(OC)c1 2331048902 HKCXQPKTKDVQBW-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE C[C@@H](C(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1Cl)c1ccccc1 2331143881 BLKYCCMSZDLLFL-MRXNPFEDSA-N 425.311 6.599 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2OC)c1 2331232538 GCWADGTZTKUVSW-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2C(C)(C)C)cc1 2331376377 YJESMCGXXBSVMA-UHFFFAOYSA-N 440.588 6.068 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cccc([N+](=O)[O-])c1 2331405569 YFFHAZSQQHOENS-UHFFFAOYSA-N 429.933 5.312 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3[nH]c4ccc(C)cc4c3C)cc2)cc1F 2331452187 PVQNPHAUPVQZFR-UHFFFAOYSA-N 443.474 6.048 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(SCc2ccc(C)cc2)nnc1C1CCC1 2331484045 GNCTUHILFFIGFV-UHFFFAOYSA-N 442.588 6.190 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)cc1C 2331704610 KZYMABNAQYVZPR-UHFFFAOYSA-N 439.338 6.654 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)C3CCC3)c(OC)c2)cc1Cl 2331815007 UKDGJSGFAJLVNN-UHFFFAOYSA-N 435.303 5.612 30 10 IKEE CC1(C)C[C@@H](N(Cc2ccccc2)c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CO1 2339585711 SZGRRTNPZHGEHK-JOCHJYFZSA-N 434.389 5.300 30 10 IKEE CC[C@@H]1CCC[C@](C#N)(Cc2ccc(I)c(Br)c2)C1 2349878162 NMKAHEZERYEPPL-MLGOLLRUSA-N 432.143 5.706 30 10 IKEE C[C@H]1CN(Cc2ccccc2)C[C@]1(C)CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2365115190 HDRZGRKEGBKAGN-IDISGSTGSA-N 447.432 5.296 30 10 IKEE Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1sc(C(=O)OC(C)C)c(C)c1C#N 2739927 PZNZTARZOUXLMG-UHFFFAOYSA-N 443.912 5.363 30 10 IKEE CCCCCSc1nc2n(n1)[C@H](c1ccccc1Cl)C1=C(CC(C)(C)CC1=O)N2 20850885 MUZOMRLUYQAWSG-LJQANCHMSA-N 431.005 5.872 30 10 IKEE Cc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccc(C(C)(C)C)cc1)C2 21258028 RZGIGPNXAXZKKS-PBBNMVCDSA-N 436.599 7.272 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(OCC(C)C)cc2)cc1 21258346 IRSSFEQNVRLDBR-REWPJTCUSA-N 433.548 5.124 30 10 IKEE O=C(/C=C/C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1)c1ccc(Br)cc1 27474050 SHRIWFBMSXEZQC-POICXBNUSA-N 431.333 6.196 30 10 IKEE O=C(c1c(-c2ccccc2)c2cc(Br)ccc2[nH]c1=O)[C@@H]1O[C@H]1c1ccccc1 32106121 GUNFZMQFFRJZDR-GOTSBHOMSA-N 446.300 5.280 30 10 IKEE CC[C@H](Sc1cc(C)c2cccc(OC)c2n1)C(=O)Nc1sc(C)c(C)c1C#N 32530179 MAGUBZDSNPANIO-SFHVURJKSA-N 425.579 5.611 30 10 IKEE Cc1cc(C)c(S(=O)(=O)Oc2ccc(C(=O)/C=C\c3ccc(C(C)C)cc3)cc2)c(C)c1 33394339 PWOSTUOCBMDMHG-NVNXTCNLSA-N 448.584 6.399 30 10 IKEE C=CCc1ccc(OCCCCn2c(-c3cccc(C)c3)nc3ccccc32)c(OC)c1 40239676 HSECLTWIHCNMAL-UHFFFAOYSA-N 426.560 6.608 30 10 IKEE C=CCc1ccccc1OCCn1c(CNC(=O)c2ccccc2C)nc2ccccc21 40275968 XEEHWFNKNBJSCM-UHFFFAOYSA-N 425.532 5.082 30 10 IKEE Cc1cc(C)cc(-n2c(C)cc(/C=C3/S/C(=N/c4ccc(C)c(C)c4)NC3=O)c2C)c1 83309729 ZAQMGYKLTPGWBW-ZVHZXABRSA-N 429.589 6.219 30 10 IKEE O=C1/C(=C\c2cccc3ccccc23)S/C(=N/Cc2ccccc2)N1Cc1ccccc1 83324436 IQQDJTPGXJRMCK-CXJLONCNSA-N 434.564 6.513 30 10 IKEE CCCCCCCOc1ccc(NC(=S)NC(=O)c2ccccc2OC(C)C)cc1 100205217 VHJAXKSFEFQNES-UHFFFAOYSA-N 428.598 5.950 30 10 IKEE O=C(/C=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc2noc(-c3ccccc3)c2c1 103033629 DHZZAXYIVJWVSC-KAMYIIQDSA-N 436.423 6.559 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ncc(-c4ccc(F)cc4)o3)n2)cc1 108978083 ZIYJRPHCMNKBCM-LJQANCHMSA-N 447.491 5.422 30 10 IKEE CCCc1nnc(SCc2ccc(Br)cc2)n1/N=C\c1ccc(F)cc1 135882125 ZRAJUHYVCIARID-UUYOSTAYSA-N 433.350 5.307 30 10 IKEE COc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)c(Cl)c1 169879210 HBXFBJWPZSIDPL-WYMPLXKRSA-N 446.290 5.935 30 10 IKEE CCCOc1c(Cl)cc([C@H]2NC(=S)NC(C)=C2C(=O)c2ccccc2)cc1OCC 169938278 YNIGDXKPJRRKOF-HXUWFJFHSA-N 444.984 5.203 30 10 IKEE CCCCCCCCCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(C)=O)cc1OCC 169939089 YPSJCBXGCWKUKF-QHCPKHFHSA-N 432.630 5.597 30 10 IKEE COc1ccc(-c2csc(N/N=C\c3cccc(OCc4ccccc4)c3)n2)c(OC)c1 169940544 LZFPSPJDTJPDMM-YSMPRRRNSA-N 445.544 5.852 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccc(O)cc2)ccc1F 169958140 FBEYJUHUJRQPRE-DEOSSOPVSA-N 445.490 5.746 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccc(O)cc2)c1 169959043 WAOGWRWLDNEICA-AREMUKBSSA-N 449.506 5.945 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2cccnc2)cc1C 170002605 JJHANWSIYVOEMJ-XMMPIXPASA-N 426.516 5.605 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccc(F)cc2)c1 170063224 CVHKZDFSOUAJLT-NRFANRHFSA-N 437.854 5.271 30 10 IKEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 170065729 PEEFCWQFSNVUKR-HXUWFJFHSA-N 447.853 5.138 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc(F)cc2)=C(O)C(=O)N1c1cccc(Cl)c1 170106999 MJNQUINAYVHSKT-GOSISDBHSA-N 427.884 5.632 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(OC(C)C)c1 170153090 XRNCUQOKQSWQQL-NRFANRHFSA-N 427.928 5.506 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccncc2)c1 170200499 JIXPUNHQQMDHSR-VWLOTQADSA-N 434.495 5.635 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccc2)cc1 170228821 MMXPIPJMSRAJDO-XMMPIXPASA-N 427.500 5.567 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccc2)cc1 170234317 CJMUXQBGKAXTHN-QHCPKHFHSA-N 431.463 5.003 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(F)cc2)c1 170244045 LPTXQSDJJZWJDZ-NRFANRHFSA-N 443.902 5.399 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@H]1c1ccccc1C 170277296 VKXKGHSCZWEIIP-XMMPIXPASA-N 435.564 5.798 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@@H]2c2ccco2)c(C)c1 170289504 VBOBWJVJBJMEDZ-DEOSSOPVSA-N 445.515 5.775 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccco2)c1 170297077 UIHUWQHAUAVUPX-VWLOTQADSA-N 437.495 5.828 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@H]1c1ccc(C)o1 170302536 WNEZXPYELKHLJL-QHCPKHFHSA-N 447.487 5.005 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2sccc2C)s1 170313756 OWZOOXJZKGFUHU-INIZCTEOSA-N 428.510 5.052 30 10 IKEE C[C@@H](/N=C1/S/C(=C2\Sc3ccccc3N2C)C(=O)N1C1CCCCC1)c1ccccc1 228741448 IBIGNXGUBHLRGR-DPYPSQBYSA-N 449.645 6.423 30 10 IKEE CC(C)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C(F)(F)F)c3)N(C)C2=O)cc1 252592235 BDVUPDOPKYNLCH-SFHVURJKSA-N 449.498 5.419 30 10 IKEE CCCCCCCCCC[C@H](N)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 406526411 ZRZKMVJIPKFYRW-IBGZPJMESA-N 441.454 7.327 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)ccc1Br)NCC 407550926 AYJRIOBSNQKHGN-ROUUACIJSA-N 445.829 5.483 30 10 IKEE CC(C)COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(O)cc2)c1 526487526 AJDFUZZYHUNHMU-RUZDIDTESA-N 440.499 5.356 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cn(C)c3ccccc23)cc1 526603563 NPWRISRUWFJBBY-AREMUKBSSA-N 449.510 5.506 30 10 IKEE Clc1ccc(CSc2nncn2/N=C\c2cccc(Br)c2)c(Cl)c1 526823717 OYQIBPDKBVTZGF-WNFQYIGGSA-N 442.169 5.522 30 10 IKEE C[C@H]1CCc2c(sc3ncnc(Nc4cccc(OCc5cccc(C#N)c5)c4)c23)C1 586473817 YMRQWKHPFXBWPO-INIZCTEOSA-N 426.545 6.010 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@H]2CCCN2C(=O)OC(C)(C)C)c1 698427681 JTMJSMQRIWZERZ-NTKDMRAZSA-N 445.560 5.118 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 698485438 QZFDBFVIWDBAJL-OSPHWJPCSA-N 429.561 5.276 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@@](C)(C#N)c1cc(Br)ccc1F 698916072 NMTDNFZDQICCBG-FQEVSTJZSA-N 437.284 5.908 30 10 IKEE CC(C)(C)OC(=O)NC1CCC(C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)CC1 724078359 HSKVMNMYSQVCIT-UHFFFAOYSA-N 433.524 5.297 30 10 IKEE C=C1CCC(C[C@H](NCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)CC1 724569381 HWMSKJJQKKROQM-NKKJXINNSA-N 430.633 5.600 30 10 IKEE CCCCCCCCCCCC(=O)Oc1ccc(C=Nc2nc3ccccc3s2)cc1 1081825614 NLWRIIMCTXAYLG-UHFFFAOYSA-N 436.621 7.873 30 10 IKEE C=CCc1cc(/C=C2/SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)cc(OCC)c1O 1084110695 JFWHWQXXUDOFJS-VCHYOVAHSA-N 449.359 5.718 30 10 IKEE C=CCN1C(=O)/C(=C\C(Cl)=C\c2ccccc2)S/C1=N/c1ccc(C(=O)O)c(O)c1 1614234302 JAIVANUZWQTNGR-OLFURORZSA-N 440.908 5.003 30 10 IKEE CC(C)O[C@@H](CN(Cc1ccc(C#N)cc1)c1ccc2nc(O)[nH]c2c1)c1ccccc1 1642112707 FTGVQDWVQJLQLT-VWLOTQADSA-N 426.520 5.313 30 10 IKEE Cc1cc2c(n1-c1ccc(Cl)cc1)CC(C)(C)CC2=NOC(=O)/C=C\c1ccccc1 1772728693 URKHGIFXNDLXCD-ZRNGUZSESA-N 432.951 6.372 30 10 IKEE Cc1cccc(N=C2S/C(=C\C(Cl)=C\c3ccccc3)C(=O)N2C2CCCCC2)n1 1772736103 KLFOTPFAZZCSDO-GQPOHDIQSA-N 437.996 6.449 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=Nc1cccnc1Cl 1772736650 MFCUCRCXDDODQD-DJCXZETLSA-N 440.868 5.137 30 10 IKEE CCCCCCCCCSc1nc(Cl)c2c(n1)S[C@H]1CN(C(C)=O)CC[C@@H]21 1857801314 TXRXRKFWAMTLEI-CVEARBPZSA-N 428.067 5.783 30 10 IKEE Cc1ccc(NC(=S)N/N=C\c2cn(-c3ccc(F)cc3)nc2-c2ccc(F)cc2)cc1 1857808349 DAGFPHDNFYRMNX-VYYCAZPPSA-N 447.514 5.446 30 10 IKEE N#Cc1cccc(C(=O)Oc2cccc3c(NC(=O)c4c(F)cccc4Cl)cccc23)c1 1858921441 UPSYJMKROMJVBH-UHFFFAOYSA-N 444.849 5.975 30 10 IKEE CC(C)(C)c1csc(NC(=O)[C@H]2CCCN(C(=O)CCC3CCCCC3)C2)c1C#N 1860655358 OAQLGVZFZGJCCN-SFHVURJKSA-N 429.630 5.455 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1C)[C@@H](C)CC 1861011667 ZXSAMUHTGNZHTI-AVRDEDQJSA-N 433.593 5.305 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cccc(F)c1)c1ccc(Cl)cc1Cl 1862382065 KMXODVNGKGBHLS-HXUWFJFHSA-N 448.321 6.044 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc(F)cc2)cc1 1862391274 XEAUXZLCHXFASW-UODBTFMRSA-N 449.566 6.325 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2cccc(Cl)c2)cc1 1862392133 QEPZSQNBBWKAPN-ZHRRBRCNSA-N 425.956 6.059 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccccc2C)cc1 1862442470 JHRJLCVOVYQBLT-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862448532 PHOSJCXHGBRCBM-IBGZPJMESA-N 428.872 5.017 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccccc1Br 1862453121 RVUZXBJZAMLVMF-QGZVFWFLSA-N 434.717 5.089 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2ccc(Cl)cc2)cc1 1862476673 MYGYSLRYBNJXOX-DEOSSOPVSA-N 445.946 6.044 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2cccc3ccccc23)cc1 1862480938 SBZLRXAHEOLNMP-RUZDIDTESA-N 434.495 5.322 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(CC)cc1 1862488746 HQTQRMUGJPRLBJ-AREMUKBSSA-N 447.619 6.805 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2cccc(Cl)c2)c1 1862508228 ZESHJHHHGJVJOD-HSZRJFAPSA-N 449.909 5.874 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(O)cc1 1862529413 FXIZMSYTONSOJK-DEOSSOPVSA-N 435.564 5.893 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@@H]2c2ccc(O)cc2)cc1 1862529435 GFJYHFWDYAFXTM-HSZRJFAPSA-N 447.918 5.387 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C2CC2)cc1 1862553117 HOZXUASNHSAAJZ-VWLOTQADSA-N 444.575 5.152 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2ccccc2)cc1 1862554517 FAKQDSXVOGVYJP-MZNJEOGPSA-N 426.516 5.171 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@H]1c1ccc(F)cc1)c1ccc2c(c1)OCO2 1862627995 SJKWGADDPKVXPZ-QHCPKHFHSA-N 449.478 5.023 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)cc1 1862649137 QVHIIHBSHXBHAG-YZXAJQSBSA-N 439.555 6.305 30 10 IKEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccccc1C 1862659701 CLINMNSWWIUUFH-VWLOTQADSA-N 448.607 5.429 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C2CC2)cc1 1862716926 RIVMSOVNXSEOFL-DEOSSOPVSA-N 427.500 5.369 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862760676 TYXBUKQURNEINN-SFHVURJKSA-N 449.290 5.280 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H](C)c2ccccc2)=C(c2ccccc2[N+](=O)[O-])C1=O 1863597203 YUUSPMRTLVURDF-IBGZPJMESA-N 449.551 5.386 30 10 IKEE CCc1nc(Nc2ccccc2C#N)cc(N2CCc3cc(C)ccc3[C@@H]2CC(C)C)n1 1868286707 RSBUNWSOGVAGSD-DEOSSOPVSA-N 425.580 6.113 30 10 IKEE C=CCN(CC=C)c1cc(N2CCO[C@H](c3ccccc3)C2)nc(-c2ccccc2C)n1 1869149196 WCXIHUJMJNSDIR-DEOSSOPVSA-N 426.564 5.208 30 10 IKEE CCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CSc1ccc(C)cc1 1870166164 HEXIQVGLVAFLEN-UHFFFAOYSA-N 427.654 7.155 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2c(C)cc(C)cc2C)cn1Cc1ccccc1 1870380527 LGLINFROVLJKDY-UHFFFAOYSA-N 442.603 5.575 30 10 IKEE CCCCCCCCn1cc(OCCCCCC)c(=O)cc1CN(CCCC)CCCC 1870676152 BVZPTBNODAVBOQ-UHFFFAOYSA-N 448.736 7.570 30 10 IKEE C=CCOc1cn(Cc2ccccc2F)c(CNc2ccc(N3CCCCC3)cc2)cc1=O 1870813217 BZCJKOQYUSZNNV-UHFFFAOYSA-N 447.554 5.203 30 10 IKEE O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)Oc2c1ccc1c2CN(C2CCCCCCC2)CO1 1871349420 SSUQVIZYCVELCH-UCQKPKSFSA-N 434.492 5.476 30 10 IKEE COc1ccc([C@@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2cccc(OC)c2)C4=O)cc1 1871354601 VEOUQCQVXQLKBU-YMKHCOABSA-N 443.499 5.233 30 10 IKEE Cc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)cc1C 1871372426 QRSDYFOCOLLKSH-OYKKKHCWSA-N 427.500 5.513 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4Cl)ccc3C2=O)c1 1871374108 QYZUMFVJHAZKBS-FBHDLOMBSA-N 435.819 5.392 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O)/C(Cl)=C/c1ccccc1 1871377412 KAPTZSVMGAYWFB-WCESMWKUSA-N 428.871 6.044 30 10 IKEE CC(C)(C)c1ccc(/C=C2\Oc3cc(OCCCCOc4ccccc4)ccc3C2=O)cc1 1871403227 GSIKUFDTOPUPQB-DIBXZPPDSA-N 442.555 6.838 30 10 IKEE Cc1cc(OCCCOc2ccc(Cl)cc2)cc2c1C(=O)/C(=C/c1cccs1)O2 1871404988 KCZUYHJWEHSPHL-STZFKDTASA-N 426.921 6.174 30 10 IKEE Cc1cccc(OCCCOc2ccc3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)c1 1871406380 TVVOPCGCSRMVTI-ONUIUJJFSA-N 429.516 5.525 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)c(C)c1 1871410173 ATCITYMUMFEWPO-ZKDCOOFMSA-N 447.918 5.979 30 10 IKEE CCc1ccc(OCCCOc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871413020 QHNMYGIXAMTDFP-SUNKIAIMSA-N 426.512 6.269 30 10 IKEE CCCCc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccncc2)C3=O)cc1 1871454942 BUKLNXIZFHTXFA-JLPGSUDCSA-N 442.515 5.366 30 10 IKEE COc1ccc2c(c1)c(/C=C1\Oc3cc(OCc4cccc(C)c4)ccc3C1=O)cn2C 1871455011 GXROWVMHMQRNIG-ZRGSRPPYSA-N 425.484 5.691 30 10 IKEE C=CCN([C@@H](C(=O)Nc1cc(C)cc(C)c1)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 1871994200 USRYJBRXPGUXMR-RUZDIDTESA-N 448.588 5.169 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cccc(C(C)(C)C)c1)[C@H](C)CC)S(=O)(=O)CCCC 1872234540 OSTSQWJQDJHUOQ-DENIHFKCSA-N 436.662 5.345 30 10 IKEE COc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1OC 1872760013 FKRIXVQBMWBESC-FQEVSTJZSA-N 432.545 5.125 30 10 IKEE C[C@@H](Oc1ccc(Cl)cc1)C(=O)[C@H](C#N)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872760061 GINVSELFVMEGCL-VFNWGFHPSA-N 436.964 5.986 30 10 IKEE COc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1OC 1872772630 FVDWPDMSAYAWKF-LJQANCHMSA-N 434.561 5.544 30 10 IKEE CC(C)(C)c1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(F)cc3)cs2)cc1 1872776748 WNIROWZXUUIZPH-OAQYLSRUSA-N 436.552 6.282 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@@H](C#N)C(=O)c3ccc(OCC(C)C)cc3)n2)c1C 1872781452 UCIRRLJCJAFBGA-QFIPXVFZSA-N 432.589 6.569 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2F)C(=O)N([C@H]2CCCC[C@@H]2C)C1=O 1873029530 KTJVJFSKFLXSPU-REWPJTCUSA-N 442.619 6.215 30 10 IKEE CCCCCCCCNC1=C(c2ccc(OC)cc2)C(=O)N([C@H]2CCCC[C@H]2C)C1=O 1873143118 WENJIQMESKBMLY-KNQAVFIVSA-N 426.601 5.304 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2C(C)(C)C)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873276959 WVMBEIIEGFLUTG-UHFFFAOYSA-N 436.555 6.029 30 10 IKEE CCCCCCN1C(=O)C(Nc2ccccc2C#N)=C(c2cccc(Cl)c2Cl)C1=O 1873340600 GVNIIEQVNPWEEW-UHFFFAOYSA-N 442.346 5.637 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1/N=C/c1ccc2cc(OC)ccc2n1 1873500373 SNWJALYMBMEXRK-MFKUBSTISA-N 431.565 5.270 30 10 IKEE NC1=C(c2nc(-c3ccccc3)c(-c3ccccc3)s2)C(=O)CN1c1cccc(F)c1 1873527909 XNDQQBSXCZANTQ-UHFFFAOYSA-N 427.504 5.333 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)cc2C)cc2c(N(CC)CCCC)ncnc21 1873654762 UIEUFVQOGSAVOD-UHFFFAOYSA-N 425.964 5.458 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1sccc1C 1874214019 RFNKADMRGZUELC-HYARGMPZSA-N 433.002 5.473 30 10 IKEE C=CCSc1nnc(COc2c(C)cccc2C)n1/N=C/c1ccc(N(CC)CC)cc1 1874299993 CNEPQQJHPUEMBI-YZSQISJMSA-N 449.624 5.480 30 10 IKEE Fc1cccc(CSc2nnc(CCOc3ccccc3)n2/N=C/c2cccs2)c1 1874344455 NOQMXKVKFBFCTQ-BUVRLJJBSA-N 438.553 5.275 30 10 IKEE Fc1ccccc1/C=N/n1c(COCc2ccccc2)nnc1SCCc1ccccc1 1874354833 DCCMAOPTZUHQQY-WPWMEQJKSA-N 446.551 5.351 30 10 IKEE C=C(C)CSc1nnc(CCc2cccs2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874371729 NPPVNMVEQFTSEK-SSDVNMTOSA-N 437.421 5.982 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(Cc3ccccc3F)n2/N=C/c2ccccc2)cc1 1874374685 IUJWCIDUOACDKD-MFKUBSTISA-N 447.495 5.091 30 10 IKEE CCc1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SCc2ccccc2)cc1 1874375992 YUARNGWLKWKLFP-WPWMEQJKSA-N 430.552 5.745 30 10 IKEE Fc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2/N=C/c2cccs2)cc1 1874382053 WOSMQJDYBOGVMI-ZMOGYAJESA-N 442.972 5.897 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2ccc(F)cc2)cc1 1874387379 JSDYCBPYTRZHMG-JVWAILMASA-N 430.552 5.799 30 10 IKEE COc1ccccc1/C=N/n1c(CC2CCCCC2)nnc1SCc1cc(C)ccc1C 1874408487 ZPZMMTXLZLNWLU-WPWMEQJKSA-N 448.636 6.201 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccco3)n2/N=C/c2ccccc2)c(Cl)c1 1874468819 YUZUJPGCIOBFEU-FSJBWODESA-N 429.332 6.019 30 10 IKEE CCCSc1nnc(C(C)(C)C)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874484925 VMJYRXOBCFWADO-MFKUBSTISA-N 443.016 6.192 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C(C)C)cc1OC 1874514804 HUOJBFISLNPYLL-CVKSISIWSA-N 446.576 5.746 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2c(Cl)cccc2Cl)nnc1C1CC1 1874521328 MTTXAGABWKKOTI-FOKLQQMPSA-N 433.364 5.645 30 10 IKEE CCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874524553 UABBOTNVQFAISZ-JVWAILMASA-N 446.551 5.733 30 10 IKEE O=C(/C=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12)c1ccc2c(c1)CCCC2 1874572095 VWCQXSCNPYHYAR-WUKNDPDISA-N 436.526 7.333 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 1874575539 SCCUJQKDMVVGBA-YRNVUSSQSA-N 428.271 6.377 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2cccc(C)c2C)cc1 1874575782 GMNJYHSTHSVPQM-DTQAZKPQSA-N 445.515 5.234 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C)cc2C)c1OCC(=O)Nc1ccccc1F 1874578908 MGOGBFJUGIMZIB-WYMLVPIESA-N 433.479 5.365 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(F)c(F)c2)c1OCC(=O)Nc1ccccc1F 1874584728 CNIONTDLKPMKCT-ZRDIBKRKSA-N 441.405 5.026 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OCC(=O)Nc1ccc(F)cc1 1874594944 LTUHEUMDMRZPDX-WUXMJOGZSA-N 439.870 5.401 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)c1C 1874599334 HZTOHWJFFMAIDY-PKNBQFBNSA-N 439.382 7.702 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)ccc1OCc1c(F)cccc1Cl 1874605180 SBCZDUWPILHWTA-GXDHUFHOSA-N 438.926 6.915 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccccc3Cl)cc2OC)cc1 1874608200 AXKITCBVABRGKR-GXDHUFHOSA-N 449.934 5.825 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OCc3ccccc3Cl)cc2)c1 1874630506 FXUYEYZEFVRXLK-RVDMUPIBSA-N 436.935 6.613 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc(OC)c1OCC(=O)OC 1874638156 KQACFSPJQATXKD-RMKNXTFCSA-N 435.303 5.178 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(OCC)cc3)c2)cc1 1874700439 SPVUWLMLAMEIEZ-OMCISZLKSA-N 446.499 5.608 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OC(=O)Cc1ccccc1Cl 1874704116 XCXGSNNJBWGOPI-YRNVUSSQSA-N 438.882 5.840 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1OC(=O)c1cncc(C)c1 1874716017 XFXQKEIUGNGXIX-DHZHZOJOSA-N 443.543 6.120 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1 1875084955 IHFVKIWMHVEWEQ-RVDMUPIBSA-N 431.444 5.038 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCOc3ccccc3)c(OC)c2)cc1C 1875108820 IIKUYQVJKWQVDR-FMIVXFBMSA-N 446.499 5.283 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2Cl)cc1 1875126183 SYAMXQJEAWTLHS-WUXMJOGZSA-N 425.311 6.346 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)COc1c(C)cccc1C 1875134237 OKRYOXXZFPZRTF-JLHYYAGUSA-N 444.527 5.809 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(OCC)cc3)cc2)cc1 1875136353 KYWQHCWJENKSGO-GIJQJNRQSA-N 444.527 5.918 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2[N+](=O)[O-])cc1 1875155571 JBPJROOJFUXTIF-RIYZIHGNSA-N 443.499 6.071 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1 1875155879 DSTKHYLBSYPENO-LHHJGKSTSA-N 449.890 6.487 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Br)c1OC(=O)CC 1875156987 MZDRLODOTVWPRR-KPKJPENVSA-N 445.353 6.183 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccccn3)c([N+](=O)[O-])c2)c1C 1875169235 KXSAFNNCVLZOTO-CSKARUKUSA-N 430.460 5.339 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)c1ccccc1C 1875174773 HUIMLTSDQGQZEJ-ACCUITESSA-N 448.946 6.779 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)ccc1OC(=O)c1ccccc1 1875186392 UBXYXGATRVFSHJ-FMIVXFBMSA-N 436.891 5.863 30 10 IKEE CCN(CC)c1cccc(OCC#CCNC(=O)c2ccc(-c3cccc(Cl)c3)cc2)c1 1891737619 WQKVRZCNBBJUQO-UHFFFAOYSA-N 446.978 5.665 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CC[C@@H]1CCCCN1C(=O)OC(C)(C)C)NCCC 1922066350 SVSONBVPGWOLAT-BJKOFHAPSA-N 430.633 5.697 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)[C@H]2CCC[C@@H]21 1926543295 WAEYGUFCVFTQHH-JXQFQVJHSA-N 433.593 5.238 30 10 IKEE CC(C)[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)CN1Cc1ccccc1 1942593628 MLJZASNFEWNDIH-OZXSUGGESA-N 425.617 5.749 30 10 IKEE CC(C)(C)OC(=O)Nc1ccccc1[C@H](C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1944207088 GJTKJNSDFMJIBC-IBGZPJMESA-N 443.569 6.097 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 1944593739 NGNAIABXSJUNBD-UUOWRZLLSA-N 435.609 5.533 30 10 IKEE CN[C@H](CC#CC1CCCCC1)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 1944818312 DSANOQUDAFHIGZ-ZTCOLXNVSA-N 428.617 5.047 30 10 IKEE C[C@H]1CN(Cc2ccccc2)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1949313085 KBLDBRRFQWTXBF-UQBPGWFLSA-N 439.987 5.886 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 2016054887 MLPLAVFKZDSBDP-DHIUTWEWSA-N 428.617 5.307 30 10 IKEE C=CCCCCCCCCC[C@@H](O)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2026314374 UCTGDKVUOYGYBO-DNQXCXABSA-N 433.633 6.154 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCCC[C@@H]1NC(=O)OC(C)(C)C 2031500579 XNFXOUZFROQLAL-CPJSRVTESA-N 443.588 5.856 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2033847261 PCECMSGWOXOVFD-OOWSSMPZSA-N 431.580 5.826 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)CC12CC2 2037540326 IJXZTDGZDYUOFU-DEOSSOPVSA-N 445.535 5.393 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(C(=O)OC(C)(C)C)C(C)(C)C2)cc1 2037764704 CMFWFKYZVDQJMS-XMMPIXPASA-N 445.560 5.118 30 10 IKEE Cc1nc2ccccc2c(-c2ccc(Cl)cc2)c1C(=O)C=Cc1ccnc2ccccc12 2053613175 XQGSNEWPIIXTKA-UHFFFAOYSA-N 434.926 7.308 30 10 IKEE CC[C@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)(F)F)c(CO)c1Br 2079981615 QEOKQPKJUYZAAI-LLVKDONJSA-N 449.164 5.314 30 10 IKEE Nc1c2c(nc3c(-c4ccc(C(F)(F)F)cc4F)c(C(F)(F)F)nn13)CCCCC2 2081266246 YSLIEBZYIGGVNS-UHFFFAOYSA-N 432.343 5.424 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)NCCC 2084688555 CIQKTOHPQKCMSK-CAOCKLPOSA-N 444.660 5.991 30 10 IKEE CO[C@@H]1CC(F)(F)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2162034937 NSVYKPXSWFXMAZ-QAPCUYQASA-N 445.304 5.287 30 10 IKEE CC(C)c1ccc(Sc2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)cc1 2172769060 RUDZBWSVZOWTHT-UHFFFAOYSA-N 434.208 5.418 30 10 IKEE CCCCCCCCN(C)[C@H](CN)c1cc(Br)c(Br)s1 2196736268 GIIDQBQKDAHBBT-CYBMUJFWSA-N 426.262 5.565 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H](Nc2ccc(C#N)c(Br)c2)C12CCCC2 2204294837 WZKPZSDQNWBCRK-SFHVURJKSA-N 434.378 5.445 30 10 IKEE CC(C)(C)OC(=O)NC(C)(C)[C@@H]1CCCCN1c1ccc(C#N)c(Br)c1F 2208033552 PXRGHONNQGSFLZ-HNNXBMFYSA-N 440.357 5.122 30 10 IKEE CCCCCCC[C@@H](CO)N(C(=O)OCc1ccccc1)c1ccc(Br)cc1 2219992863 YHCCBFHJROSGMR-QFIPXVFZSA-N 448.401 6.314 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Br)cc1Cl 2222733671 VVNUVFHTYSKZFJ-DLBZAZTESA-N 431.802 5.613 30 10 IKEE Cc1cc(C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)ccc1NC(=O)OC(C)(C)C 2231059747 KTBZTJVZAOFITN-UHFFFAOYSA-N 444.381 5.040 30 10 IKEE COc1cccc(C=C2SC(=Nc3ccc(C)c(C)c3)NC2=O)c1OCc1ccccc1 2294193482 SWHRBJUDJHHYGW-UHFFFAOYSA-N 444.556 5.783 30 10 IKEE Cc1ccc(N=C2SC(=C3Sc4ccccc4N3C)C(=O)N2c2ccc(C)cc2)cc1 2295165124 FPATUPQCSJXTIT-UHFFFAOYSA-N 443.597 6.482 30 10 IKEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccccc2)cc1 2296088736 NWZPFVLGNMYBSF-NRFANRHFSA-N 426.497 5.231 30 10 IKEE CCN1C(=O)C(=C2Sc3ccc(OC)cc3N2C)SC1=Nc1cc(C)ccc1C 2297550089 RIPRXVWHSDLYBK-UHFFFAOYSA-N 425.579 5.306 30 10 IKEE CN(C)c1ccc(C=CC=C2CCc3cc(OCCCN4CCCCC4)ccc3C2=O)cc1 2297661937 GJELWNNMGJBJCZ-UHFFFAOYSA-N 444.619 5.776 30 10 IKEE Cc1cccc(N=C2SC(=Cc3ccccc3OCc3ccc(Cl)cc3)C(=O)N2C)n1 2314540355 OJQLSDHNLYRGCV-UHFFFAOYSA-N 449.963 5.856 30 10 IKEE CN1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=Nc1cccnc1 2314542670 XOVSJKAMUBUWFN-UHFFFAOYSA-N 440.868 5.137 30 10 IKEE CCN1C(=O)C(=Cc2ccc(-c3cccc(Cl)c3)o2)SC1=Nc1nnc(C)s1 2314543491 FOAOGIVTYMEBFM-UHFFFAOYSA-N 430.942 5.384 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCc4cc(Cl)cc5c4OCOC5)ccc3C2=O)cc1 2321876616 VOPGEPKBVZGXQN-UHFFFAOYSA-N 434.875 5.710 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1c(F)cccc1Cl)O3)CN(CCc1ccccc1)CO2 2321937229 BSIBHBTZKXJKRB-UHFFFAOYSA-N 449.909 5.798 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(C(C)(C)C)cc1)C3=O)CN(C[C@@H]1CCCO1)CO2 2322307735 VGRUKLMBWOXHOD-NRFANRHFSA-N 433.548 5.240 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2ccc(F)cc2)cc1 2322362679 MKAAOVRZAORWSV-UHFFFAOYSA-N 437.898 5.955 30 10 IKEE CCCCCCN1COc2c(cc3c(c2C)OC(=Cc2c(Cl)cccc2Cl)C3=O)C1 2322368852 JADCPOIEYKILIJ-UHFFFAOYSA-N 446.374 6.650 30 10 IKEE CCc1ccc([C@H](C)N2COc3c(cc4c(c3C)OC(=Cc3ccc(F)cc3)C4=O)C2)cc1 2322455532 ZPBYKAWOIBSORU-SFHVURJKSA-N 443.518 6.226 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Br)ccc1OCCc1ccccc1 2322475372 ISGZEOWTQRZDCG-UHFFFAOYSA-N 437.333 5.975 30 10 IKEE CCCN(CCC)C(=O)COc1c(C=CC(=O)c2cccc3ccccc23)cccc1OC 2322724737 MBHGWVUYOZQREP-UHFFFAOYSA-N 445.559 5.772 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3cc(OC(=O)COc4ccccc4)ccc3C2=O)cc1 2322945346 WNOPGBCJQLQHED-UHFFFAOYSA-N 428.484 5.585 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1OCC(=O)Nc1cc(C)cc(C)c1 2323118328 CAMXPMWACGNVLU-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCc1ccc(NC(=O)COc2cccc(C=CC(=O)c3ccc(C(C)C)cc3)c2)cc1 2323212615 LHUDBGZUKPHSMC-UHFFFAOYSA-N 427.544 6.286 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)ccc2C1=O 2323273956 YIOYSKYEYQRWIK-UHFFFAOYSA-N 445.427 5.137 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3cc(C)cc(C)c3)c2)c(OC)c1 2323283473 USRVROQYDNMXJL-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE CCCCCCCCCOc1ccc(C=Nn2c(S)nnc2CCCC)c(Cl)c1 2323501964 BQVGACDFYFWQSY-UHFFFAOYSA-N 437.053 6.574 30 10 IKEE CCN(CC)C(=O)COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1OC 2323533242 ZAKLJKIXHNTVMQ-UHFFFAOYSA-N 436.335 5.145 30 10 IKEE Cc1nc2ccc(C(=O)Oc3ccc4c(c3)OC(=Cc3ccccc3F)C4=O)cc2nc1C 2323553054 RERMGHLQPKKWRT-UHFFFAOYSA-N 440.430 5.221 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Br)c2)cc(Br)c1OC 2323662303 NSIGZNLHJYJCII-UHFFFAOYSA-N 426.104 5.125 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OC(=O)CCOc4ccccc4)ccc3C2=O)cc1 2323678073 JHCBUHXDJJDVPX-UHFFFAOYSA-N 430.456 5.076 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OCc1c(F)cccc1Cl 2323743706 SJVDAOKOPPJRKK-UHFFFAOYSA-N 432.825 6.241 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(=O)C=Cc4ccccc4)cc(C)c3C2=O)c1OC 2323744718 AKRDHKQICVPHFM-UHFFFAOYSA-N 442.467 5.247 30 10 IKEE C=CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(F)c2)C3=O)c1 2323854669 MARYFNRGTCHZGP-UHFFFAOYSA-N 430.431 5.534 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C 2323921189 NYCWOPDCJXJVCF-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE Cc1ccccc1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)OC(=Cc1cccc(Cl)c1)C2=O 2324407155 KUNHLJCDEBYJTJ-KRWDZBQOSA-N 447.918 5.979 30 10 IKEE Cc1cccc(OCCOc2ccc3c(c2C)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)c1 2324534782 LBDOZDJJNYHTJI-UHFFFAOYSA-N 431.444 5.286 30 10 IKEE C=CCOc1c(OCC)cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc1[N+](=O)[O-] 2324538291 COXPGRKOFVVRDC-UHFFFAOYSA-N 431.872 5.425 30 10 IKEE C=CCOc1c(Cl)cc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1OC 2324588877 OQFYHJZVGOVQIJ-UHFFFAOYSA-N 427.711 6.125 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C(C)C)cc4)cc(C)c3C2=O)c1 2325318697 DKHRYESRBJEHLQ-UHFFFAOYSA-N 441.527 6.061 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(C(C)(C)C)cc2)cc2c1C(=O)C(=Cc1cccs1)O2 2325552661 RMISPEWCVDXONK-UHFFFAOYSA-N 447.556 5.988 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(N(CC)CC)cc1 2325559008 MEHRQJRCKHJCFJ-UHFFFAOYSA-N 442.032 5.905 30 10 IKEE CCCCCCOc1ccc(NC(=O)C(=O)C=Cc2ccc(OCC)c(OC)c2)cc1 2325666283 FLSLMELJVDUKBQ-UHFFFAOYSA-N 425.525 5.274 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1OC(=O)c1cc(C)cc(C)c1 2325701343 SCVARIUDKOAMFA-UHFFFAOYSA-N 440.539 6.306 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)CCOc3ccccc3)c2)cc1C 2325713605 WOVWLROMWRAPOS-UHFFFAOYSA-N 446.499 5.283 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2Cl)cc1OC(=O)Cc1ccc(Cl)cc1 2325716760 UMHLXIDGEPVNRA-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3cccc(Cl)c3)c2)c(OC)c1 2325728320 CMZBJYMNXNKDEG-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(F)cc3F)c2)cc1Cl 2325769666 SNDZZILRQIJHBT-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE CCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1c(C)[nH]c2ccccc12 2326331521 CRLLKNNHNOQXJO-UHFFFAOYSA-N 445.636 6.492 30 10 IKEE CCCOc1ccccc1C=Nn1c(CCCOc2c(C)cccc2C)nnc1SC 2326358178 JBRGPCVZTSAZDK-UHFFFAOYSA-N 438.597 5.299 30 10 IKEE CCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(OCC(C)C)cc1 2326546490 OBWXJUXBJKPFHC-UHFFFAOYSA-N 428.989 5.703 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccc(Cl)cc3)n2N=Cc2ccncc2)c1 2327527200 RCUJTWAOVMGPQX-UHFFFAOYSA-N 449.967 5.388 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CCc2ccc(C)c(C)c2)nnc1SCC(=C)C 2328945477 FGIDPAYUYPRHFT-UHFFFAOYSA-N 446.620 5.795 30 10 IKEE Clc1cccc(CSc2nnc(CCOc3ccccc3)n2N=Cc2ccccc2)c1 2329225151 SFCMVLIPTCBXFS-UHFFFAOYSA-N 448.979 5.728 30 10 IKEE Oc1cccc(C=Nn2c(Cc3ccccc3F)nnc2SCc2ccc(F)cc2)c1 2329712802 JEAFOZYENBFZGG-UHFFFAOYSA-N 436.487 5.027 30 10 IKEE CCN(Cc1ccccc1)c1ccc(C=Nn2c(CC3CCCCC3)nnc2SC)cc1 2330221393 PMYHJBNGMLGVBZ-UHFFFAOYSA-N 447.652 6.032 30 10 IKEE COc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc(Cl)c1OC(=O)C1CC1 2330591903 BZQAAJYYYROWDQ-UHFFFAOYSA-N 432.903 6.227 30 10 IKEE CN(C)c1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)CCCC4)cc2)cc1 2330679515 APBDWMOOWHESDV-UHFFFAOYSA-N 425.528 5.747 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1cnc(C)cn1 2330822201 DNMGOTYXTHXVIR-UHFFFAOYSA-N 443.286 5.216 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)cc3)c(Cl)c2)cc1 2330831075 MJRWIKFDSPEBAN-UHFFFAOYSA-N 432.947 7.106 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)c2ccc(F)c(F)c2)c(Cl)c1 2331063667 IGEJZCKODBZDJW-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3cccc(Cl)c3)cc2OC)cc1 2331135953 FDJBCAPWVPLMOI-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3ccc(C=CC(=O)c4ccccc4)cc3Cl)c(C)c2c1 2331167646 BXKNPOFQYPWRNF-UHFFFAOYSA-N 429.903 6.553 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc([N+](=O)[O-])c1OC(=O)c1ccccc1 2331229822 QIGVQDZZIDWYLH-UHFFFAOYSA-N 445.471 5.726 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccc(Cl)cc3)c(Cl)c2)cc1 2331265898 AOOULGNVDITTDR-UHFFFAOYSA-N 439.338 6.736 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)CCOc1ccccc1 2331344832 QGNMNRHXRTYIHI-UHFFFAOYSA-N 448.490 5.803 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(Cl)cc1Cl 2331382737 BQFWYZKMOJNXDK-UHFFFAOYSA-N 437.371 6.196 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccccc1[N+](=O)[O-] 2331467608 KJWBDIVLPUBLJI-UHFFFAOYSA-N 429.933 5.213 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(C)c3)c(OC)c2)c(OC)c1 2331729100 UFKSQUIHQMQSKM-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE C=CC[C@H](CNCC(C)C)Cc1ccc(I)c(Br)c1 2349912021 ZMNNYTGUEQKUHD-AWEZNQCLSA-N 436.175 5.034 30 10 IKEE CC#CCN(C[C@@H](NCCC)c1ccc(Br)c(F)c1F)C(=O)OC(C)(C)C 2363122516 LAAAOUUAIYVUIM-MRXNPFEDSA-N 445.348 5.028 30 10 IKEE CC1(C)OB(c2ccc(CSc3cc(F)cc(F)c3)cc2Br)OC1(C)C 2377292867 VZDAFYZVXGZKDV-UHFFFAOYSA-N 441.146 5.319 30 10 IKEE C=Cc1ccc(COc2ccc3c(c2)O/C(=C/c2ccc(-c4ccccc4)cc2)C3=O)cc1 2436678 GBUUJFHURGDPEM-RDRPBHBLSA-N 430.503 7.192 30 10 IKEE CCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(N(CC)CC)cc1 6720431 ZGGNOOHKJBNGBI-MHZLTWQESA-N 431.580 5.840 30 10 IKEE Cc1ccc2nc(N/C(=N\S(=O)(=O)c3ccc(F)cc3F)c3ccccc3)sc2c1 13637752 PNIMRPVBPRROQH-UHFFFAOYSA-N 443.500 5.131 30 10 IKEE COc1ccc(OC)c([C@H]2C3=C(CC(C)(C)CC3=O)Nc3c2c(C)nn3-c2ccccc2)c1 15830286 JBVMGXHEZSZBEG-XMMPIXPASA-N 443.547 5.399 30 10 IKEE CCc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(Cl)ccc2O)cc1 20881552 OKKLWSGHFNFHER-CLYVBNDRSA-N 444.962 6.588 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(F)cc2)cc1 21255302 GKJYKKBNEZBCQD-UZTOHYMASA-N 428.507 6.204 30 10 IKEE CCc1ccccc1N/C(=N\C(=O)c1cccc(Cl)c1)NCc1c(C)nn(CC)c1C 32971694 FMOZUCSJFIJFRS-UHFFFAOYSA-N 437.975 5.134 30 10 IKEE CCCCOc1ccc(/C=C2/CCCC/C(=C\c3ccc(OCCCC)cc3)C2=O)cc1 33246634 DXHBHRMCGDUROF-KOUJMYIZSA-N 432.604 7.655 30 10 IKEE O=C1/C(=C/C=C/c2ccccc2[N+](=O)[O-])S/C(=N/c2cccnc2)N1C1CCCCC1 39863177 RIRRVVYPFVMSLJ-QDHZCTELSA-N 434.521 5.483 30 10 IKEE CCCCCn1c(O)c(/N=N/c2ccc([N+](=O)[O-])cc2Br)c(C)c(C#N)c1=O 39870796 ZUUOEXPFWBAYAF-QURGRASLSA-N 448.277 5.010 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1cccc(O)c1 40094211 UHRNNWBLTUGFHB-QHCPKHFHSA-N 437.536 5.114 30 10 IKEE Cc1cc(Br)c(/N=C2/N[C@@]3(CCC[C@@H](C)C3)CS2)c(Br)c1 53098462 WLRKAYRSGWFSBE-QLJPJBMISA-N 432.225 5.793 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc3nc(-c4ccccc4OC)oc3c2)c1 62050168 NACCAXXWBXGAJJ-UHFFFAOYSA-N 441.531 6.593 30 10 IKEE CC/C(C)=N/Nc1nc2c(Cl)cc(NC(=O)c3ccc(Cl)cc3)c(Cl)c2s1 78400704 CMWNTMNJIWVCBG-PGGKNCGUSA-N 441.771 6.707 30 10 IKEE COc1ccc(C(=O)O/N=C2\C[C@@]3(C(=O)Nc4ccc(C)cc4)CC[C@@]2(C)C3(C)C)cc1 100966017 YXERRVZKEUALHB-WHFJYLDOSA-N 434.536 5.372 30 10 IKEE Cc1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)cc1Cl 102580915 OGZLREXKACVGNC-MYXKAAJQSA-N 445.946 6.398 30 10 IKEE CCCCCCCCCCCC(=O)N[C@@H](C)C(=O)Nc1nnc(-c2ccccc2)s1 102999930 AVZXDVYUGXMUGP-SFHVURJKSA-N 430.618 5.569 30 10 IKEE Cc1ccc(/N=C2/S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2ccccc2)c(C)c1 107380950 VOWKBWSZKSCQPS-QPRJYHLLSA-N 443.597 6.482 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2c2cccc(C)c2)cc1 169922720 RHCWKOLVMBMDLG-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccc(OC)c2)c1 169930511 VXXUIVZMBRBVLH-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccc(O)cc2)cc1 169960995 KEVYDWKOIBNCEA-DEOSSOPVSA-N 443.499 5.191 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)C)cc2)[C@@H]1c1cccnc1 170002831 XTPIUCFQWQYENW-XMMPIXPASA-N 442.515 5.305 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2C)[C@H]1c1ccncc1 170018963 DXLDJFPGKNRTJF-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2C2CCCCC2)cc1 170031770 ZUVXAKRFAYAQNJ-QHCPKHFHSA-N 437.511 5.444 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2c2ccccc2)c1 170036619 HYTIEKYAWSZUCB-QHCPKHFHSA-N 447.462 5.016 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(O)c(Cl)c2)ccc1F 170040903 COQGGMBDXBKBTL-NRFANRHFSA-N 437.854 5.276 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2cccc3ccccc23)c1 170044627 VNXBOWPHKALBBY-NLFFAJNJSA-N 441.527 5.214 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccccc2F)cc1 170071035 RQMJKBKPNPAAPY-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc(C)c2)cc1Cl 170145343 TYJKBGLMJDQWHB-QFIPXVFZSA-N 439.939 5.568 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccs2)cc1Cl 170154257 BQDULNLYUXLFTH-GOSISDBHSA-N 445.949 5.250 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2cccs2)c(C)c1 170160741 MGPDBTUHINSPQW-HXUWFJFHSA-N 434.473 5.056 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccccn2)cc1C 170172605 WIQZGDNEANEYTO-XMMPIXPASA-N 442.515 5.107 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2cccnc2)c(C)c1 170190292 NEKLRTFLKJEMLV-XMMPIXPASA-N 442.515 5.269 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@H]1c1cccc2ccccc12 170220962 YPWXHADHYJSAMD-JOCHJYFZSA-N 435.907 5.490 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1 170233638 KFEATEUPZGEQGX-HXUWFJFHSA-N 448.346 5.387 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@@H]1c1ccc(Cl)cc1 170236642 YWMGYCJNXFPLBJ-NRFANRHFSA-N 441.955 5.734 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2cccc(O)c2)cc1 170257852 NBFJYPYFXCLBOP-HSZRJFAPSA-N 447.462 5.103 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2ccccc2)cc1 170265504 UXLCBCSMCUFESS-VWLOTQADSA-N 441.527 5.819 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(Cl)c3)[C@@H]2c2ccco2)c1 170283013 VRUDSAHIQJCWCW-IBGZPJMESA-N 428.271 5.678 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC(C)C)c3)[C@H]2c2ccco2)c1C 170285867 FFKDWZHTTANKSC-XMMPIXPASA-N 445.515 5.714 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1cccc2ccccc12)c1cccs1 170370115 PEQPVISAQLJHSO-QFIPXVFZSA-N 445.927 6.338 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2sccc2C)cc1Cl 170405898 ZHLZFSQLUZFHKX-QGZVFWFLSA-N 429.881 5.094 30 10 IKEE COc1ccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(C(C)C)cc2)cc1OC 170433745 MTURFHJSEVMZIZ-DEOSSOPVSA-N 437.536 5.342 30 10 IKEE C=C(C)CN(CC)C(=O)CSc1nnc(-c2cccs2)n1[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 249883335 BHBBCUOJRSLMCH-XWSJACJDSA-N 444.670 5.521 30 10 IKEE Cc1cc(C)c(N=Cc2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)c(C)c1 254557210 LMNYAEDMGOPRQL-SSEXGKCCSA-N 443.594 7.718 30 10 IKEE Cc1ccc(S(=O)(=O)O[C@H]2C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]2O)cc1 263631352 BKOGUJNRCSWUNA-WBRQKPLTSA-N 446.653 5.473 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)cc1F)NCCC 406900019 SWVVUVSTSDZUOS-MOPGFXCFSA-N 443.401 5.358 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1/N=C\c1cccc(Br)c1 526803565 AJPFEVNVJICPNZ-QRVIBDJDSA-N 447.377 5.697 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccc(OC)cc1 526822464 ZTGRXIGIEFOBJY-ONUIUJJFSA-N 430.577 5.957 30 10 IKEE FC(F)(F)Sc1c(C(F)(F)F)ccc(C(F)(F)F)c1I 575379367 AIRNJBQIQWVQBF-UHFFFAOYSA-N 440.068 5.941 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)NC2CCN(C(=O)N[C@@H]3CCCC[C@@H]3C)CC2)c1 585910084 CJDDLNFQANKMGW-WMZHIEFXSA-N 440.632 5.007 30 10 IKEE C=CCN(CC=C)C(=O)Nc1ccc(C(=O)Nc2ccc(C)c(Br)c2)cc1 586665179 ZQIKPHYFUXALHM-UHFFFAOYSA-N 428.330 5.216 30 10 IKEE C#CCCCCC[C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 686705497 ZENAJUGOWXJZAS-YFNKSVMNSA-N 430.633 5.437 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1cc(F)c(F)cc1F 698459464 XJGRWKHMYIMLJK-QGZVFWFLSA-N 441.247 5.873 30 10 IKEE C[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)CCN1C(=O)OC(C)(C)C 698886893 FYXIOFJITGSWCJ-WAIKUNEKSA-N 433.524 5.249 30 10 IKEE N#Cc1ccc(/C(O)=C(/C(=S)Nc2ccc(OC(F)(F)F)cc2)[n+]2ccccc2)cc1 762445560 RVRHBBNXQWFXKR-UHFFFAOYSA-O 442.442 5.068 30 10 IKEE O=C(Nc1ccccc1)c1c(N=Cc2cc3c(cc2[N+](=O)[O-])OCO3)sc2c1CCCC2 1084512676 AWJNWRHEBOKXRG-UHFFFAOYSA-N 449.488 5.267 30 10 IKEE Cc1cc2c(cc1C)CN(c1ccc(N=Cc3c4ccccc4cc4ccccc34)cc1)C2 1084620065 HLCGSCISKSMPQX-UHFFFAOYSA-N 426.563 7.881 30 10 IKEE C=C(C)[C@@H]1CC[C@]2(CO)CC[C@@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@H]12 1565535299 FVWJYYTZTCVBKE-SVVTXIDKSA-N 442.728 6.997 30 10 IKEE CN1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC1=Nc1cccnc1 1772731012 GXXOTJSJPWMQFJ-IKTSRZDXSA-N 440.322 5.338 30 10 IKEE C=CCOc1ccccc1/C=C1\SC(=Nc2nnc(C)s2)N(C2CCCCC2)C1=O 1772738273 OEQCKFNHGXDLHL-NPPZMEKISA-N 440.594 5.348 30 10 IKEE O=C(Nc1cccc(-c2csc(NN=Cc3c[nH]c4ccccc34)n2)c1)c1ccccc1 1772743295 BVIJHWOIVLWDJC-UHFFFAOYSA-N 437.528 5.990 30 10 IKEE CCCCCCCCn1cc(OCCCOc2ccc(Cl)cc2)c(=O)cc1C(=O)O 1857891597 ZCEMHDXTYGMFBC-UHFFFAOYSA-N 435.948 5.408 30 10 IKEE Cc1nc(-c2ccccc2F)ncc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1859620205 WVWWCSNCNVAPPG-UHFFFAOYSA-N 443.322 5.881 30 10 IKEE COC(=O)c1c(C)oc(NC(=O)c2cccc(-c3nc4cc(C(C)C)ccc4o3)c2)c1C#N 1859742030 NHNXVGUMQJAMGW-UHFFFAOYSA-N 443.459 5.430 30 10 IKEE N#Cc1cccc(C(=O)N2CCC(c3ccc(OC(=O)c4ccc5cc[nH]c5c4)cc3)CC2)c1 1860706732 KFUKQXANUKUFFE-UHFFFAOYSA-N 449.510 5.279 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)c1ccc2nc(CC)[nH]c2c1 1860960523 IGXQKAWCALULKM-RUZDIDTESA-N 428.621 5.281 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)/C=C/c1ccc(C)cc1 1861094333 AFWVHVQBYGXQPJ-DYHBGCKMSA-N 438.587 5.352 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(OC)c(F)c2)n(Cc2cccc(Cl)c2)n1 1862367944 CHKKXPNHUPMQCY-UHFFFAOYSA-N 439.918 5.214 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccc(F)cc2)cc1 1862443375 OSOHZNLGXGQHDG-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccc(C)cc2)c1 1862478642 NABBNSOQOICJSK-RUZDIDTESA-N 441.527 5.481 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccc(O)cc2)c1 1862490539 YAOZSBFDHHDFAK-XMMPIXPASA-N 433.548 5.700 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2cccc(C)c2)cc1 1862534021 PNAOBPCGYVBTOY-VWLOTQADSA-N 431.576 6.249 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1cccc(OCCC)c1 1862564151 UDKLIWHHHDLNON-QHCPKHFHSA-N 436.552 5.216 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1cccc2ccccc12 1862592745 JKKJUAAQWSRPSX-XMMPIXPASA-N 429.516 5.704 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1cccc(Cl)c1 1862616361 BLIAYTIRRDXJMR-OAQYLSRUSA-N 425.956 5.872 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2Cl)cc1 1862675527 NDXGVJBPKCIAAW-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(C(C)(C)C)cc2)c1 1862705420 XWSUHYFMOGKLKK-DEOSSOPVSA-N 447.575 5.904 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccc(OC)c1 1862723677 CXERSNZQOBQPPL-VWLOTQADSA-N 441.527 5.741 30 10 IKEE Cc1ccccc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2cc(Cl)ccc2Cl)C1=O 1863016144 YKUINRFGQYUBNK-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE Cc1cccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3c[nH]c4ccccc34)C2=O)c1C 1863124032 RXSOJMWTIGJVMR-UHFFFAOYSA-N 432.483 5.053 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(Cl)cc2)=C(c2ccc(Cl)cc2)C1=O 1863167262 JGUFDPCRLRJPFT-UHFFFAOYSA-N 445.390 6.546 30 10 IKEE C=CCN(CC=C)c1cc(N2CCN(c3cccc(C)c3)CC2)nc(-c2ccc(F)cc2)n1 1867985149 XMLJQCJYCVYPPH-UHFFFAOYSA-N 443.570 5.096 30 10 IKEE CCCCCCCCCCNC(=O)C[C@@H](c1ccccc1)c1ccc(Br)cc1 1868197349 WFMIJPFIBPYBRZ-DEOSSOPVSA-N 444.457 7.228 30 10 IKEE CC(C)(C)c1nc(Nc2cccc(C#N)c2)cc(N2CCC[C@H](Oc3ccccc3)C2)n1 1868333817 VEFKLTFEXCOGON-QFIPXVFZSA-N 427.552 5.437 30 10 IKEE CCCc1nc(Nc2ccc(C#N)cc2)cc(N2CCC(Oc3ccc(Cl)cc3)CC2)n1 1868400779 DYOICNUSFZTSDX-UHFFFAOYSA-N 447.970 5.746 30 10 IKEE COc1ccc2c(c1)[C@H](c1ccccc1)N(c1cc(Nc3ccc(C#N)cc3)nc(C)n1)CC2 1868496676 GVLVEJKKVYKLOB-NDEPHWFRSA-N 447.542 5.561 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OC(C)C)c(=O)cc1CSc1ccccc1 1870275387 UFAHQYXEAPQDLZ-UHFFFAOYSA-N 445.625 5.832 30 10 IKEE CCCCCCCCCCn1cc(OCCc2ccccc2)c(=O)cc1CN1CCCC1 1870690888 BHFSFPANOCARSS-UHFFFAOYSA-N 438.656 6.206 30 10 IKEE C=CCOc1cn(CCCOCC)c(CNc2ccc(OCc3ccccc3)cc2)cc1=O 1870810013 HCULNHBOONRMNN-UHFFFAOYSA-N 448.563 5.031 30 10 IKEE C=CCOc1cn(CCN(CC)CC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870811382 XCZOHZYYOUCQPK-UHFFFAOYSA-N 446.595 5.111 30 10 IKEE C=CCn1cc(OCc2cccc3ccccc23)c(=O)cc1CNc1ccc(OC)cc1 1870918792 PXIBPQVEZMCLSX-UHFFFAOYSA-N 426.516 5.387 30 10 IKEE C#CCOc1cn(CCC2=CCCCC2)c(CNc2cccc(C(F)(F)F)c2)cc1=O 1871008877 RRTXUEYHBHANRF-UHFFFAOYSA-N 430.470 5.382 30 10 IKEE C=CCn1cc(OCCCOc2cccc(C)c2)c(=O)cc1CNc1ccc(Cl)cc1 1871219287 DRJVJWOXPQRFMV-UHFFFAOYSA-N 438.955 5.456 30 10 IKEE CC(C)Cn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(F)c(Cl)c1 1871251709 SFRFMQZYPOIDCV-UHFFFAOYSA-N 439.918 5.360 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1[N+](=O)[O-] 1871375035 PJSZCQPFRSGMMJ-FBHDLOMBSA-N 435.819 5.392 30 10 IKEE Cc1cc(OC(=O)c2cccc(OCC(C)C)c2)cc2c1C(=O)/C(=C/c1ccc(F)cc1)O2 1871381418 SXHOXGKYCDAWTE-MSXFZWOLSA-N 446.474 6.004 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccc(C)c(Cl)c4)ccc3C2=O)o1 1871401439 DDUOIIGDYKNGIP-QZDMBBGESA-N 437.879 5.572 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2sccc2C)C3=O)cc1 1871405563 GEMPNTOMKOWGCU-MNAFEPAFSA-N 435.501 5.087 30 10 IKEE COc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1sccc1C)C2=O 1871412580 VYRDIUSXBNZAOQ-PJMHOZITSA-N 435.501 5.087 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCC(=O)N[C@H](C)c4ccccc4)c3C)C2=O)cc1 1871424680 SDEXQJABCBQEKE-YPFLROGLSA-N 427.500 5.176 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(Cl)c(C)c1)[C@@H](C)CC)S(=O)(=O)CCCC 1872315964 UYJMZSKXKFKUOD-JXFKEZNVSA-N 429.026 5.010 30 10 IKEE C=C(C)CN([C@@H](C)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872433974 WAYFMEJRGKAYQU-FQEVSTJZSA-N 428.598 5.021 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)cc1C)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872547670 FHFQSRFXIVMOSG-RDPSFJRHSA-N 442.625 5.232 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)c(Cl)c3)n2)cc1OC 1872761553 PXOOKLUJUSJRHW-CYBMUJFWSA-N 433.316 5.624 30 10 IKEE CC(=O)Oc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 1872762568 QJMRHMVJWNIHSF-INIZCTEOSA-N 431.300 5.532 30 10 IKEE COc1ccccc1-c1csc([C@@H](C#N)C(=O)/C=C/c2ccc(Cl)cc2Cl)n1 1872763716 SJSXIDFVWRQWLO-DYLHUKMJSA-N 429.328 6.015 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(Cl)cc3Cl)n2)cc1 1872764434 NBQUKRUSDBKBJC-HNNXBMFYSA-N 433.316 5.381 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccc(C(C)C)cc3)n2)cc1C 1872765807 XOIPMTINPQCMET-LAUBAEHRSA-N 434.561 5.894 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)COc3cc(Cl)ccc3Cl)n2)cc1C 1872765941 ZXCHIQKBTLHBLB-OAHLLOKOSA-N 447.343 5.689 30 10 IKEE N#C[C@@H](C(=O)CCc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872770178 MICKXHLVEYQMLM-HNNXBMFYSA-N 435.763 6.579 30 10 IKEE COc1ccc(C)cc1-c1csc([C@@H](C#N)C(=O)c2ccccc2Br)n1 1872771391 SYYRGTBNUXJDHK-HNNXBMFYSA-N 427.323 5.380 30 10 IKEE CC(C)c1ccccc1O[C@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc3c(c2)OCO3)cs1 1872772497 FFQZGYARBKRRMR-QAPCUYQASA-N 434.517 5.306 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)n2)c(C)c1C 1872778776 UASCMONWBLRPPY-GCJKJVERSA-N 448.588 6.203 30 10 IKEE N#C[C@@H](C(=O)Cc1ccc(F)cc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872779816 RTFHXAKROUEDNS-QFIPXVFZSA-N 428.488 6.160 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@H](C#N)C(=O)/C=C/c2cccc(Cl)c2)n1 1872783908 LDIUSUIFAAYBEN-DKRLNXSXSA-N 443.355 6.324 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@@H](C#N)C(=O)c2ccc(N(C)C)cc2)n1 1872786952 XEUPIVTYWUUAJJ-KRWDZBQOSA-N 425.941 5.337 30 10 IKEE C=CCN(CC=C)Cc1ccc(C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1 1872874808 HJJJMTGJICRVKU-UHFFFAOYSA-N 446.978 6.345 30 10 IKEE C[C@H](Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)C(=O)Nc1ccc(C#N)cc1 1873864555 OWGVHMCYJUTXHX-HNNXBMFYSA-N 444.874 5.391 30 10 IKEE CCCCCCCCNC(=O)CCc1c(C)c2cc3c4c(oc3cc2oc1=O)CCCC4 1873891559 GJVXCXDJCKDSNL-UHFFFAOYSA-N 437.580 6.136 30 10 IKEE C=C(C)CSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1cccc(C)c1 1874225409 JKJUMEKSXAMBKY-WGOQTCKBSA-N 434.609 5.765 30 10 IKEE CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccc(Br)cc1 1874242292 XTNULLCYXXGYBV-YDZHTSKRSA-N 445.430 5.404 30 10 IKEE Cc1ccc(CSc2nnc(Cc3cccc4ccccc34)n2/N=C/c2ccco2)cc1 1874268264 OYDBHCLSYMLGGA-WPWMEQJKSA-N 438.556 6.098 30 10 IKEE CCCOc1ccccc1/C=N/n1c(COc2ccc(OC)cc2)nnc1SCCC 1874293568 JFMUXJNVIXKZOW-LFVJCYFKSA-N 440.569 5.039 30 10 IKEE C=CCSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1c(Cl)cccc1Cl 1874359734 WSHDYKVALHEWRR-ZMOGYAJESA-N 431.392 5.953 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2/N=C/c2cccnc2)cc1C 1874360745 UYKSJGRRLPDSBQ-JFLMPSFJSA-N 447.995 5.709 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccco1 1874363419 DPKHQROJQKONAK-MFKUBSTISA-N 436.968 5.793 30 10 IKEE Fc1ccccc1CSc1nnc(Cc2ccccc2F)n1/N=C/c1cccs1 1874375662 HXKRPSYAQKCJPW-ZMOGYAJESA-N 426.517 5.383 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccccc3)n2/N=C/c2ccc(F)cc2)cc1 1874382397 NITAHWYSHINPLA-CVKSISIWSA-N 432.524 5.479 30 10 IKEE Cc1ccsc1/C=N/n1c(SCc2cccc(F)c2)nnc1[C@H](C)c1ccccc1 1874393612 RPAMLJCGURKAMT-NFXIUMSZSA-N 436.581 6.113 30 10 IKEE C=CCSc1nnc(CC2CCCCC2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874409180 JLVANNZXUKVJAC-ZXVVBBHZSA-N 446.620 6.140 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccccc3)n2/N=C/c2ccccc2Cl)c1 1874428275 AMMIYKSMQYAZDF-CVKSISIWSA-N 432.980 6.390 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(-c2ccccc2)n1/N=C/c1ccco1 1874429182 VSNCKAYIKWIMOB-FSJBWODESA-N 429.332 6.019 30 10 IKEE O=C(O)c1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2)nnc1-c1ccco1 1874467277 ANKNGWGWHHXXQW-FSJBWODESA-N 438.896 5.064 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CCC2)cc1 1874497757 YSFZHAAMNLZGMZ-BHGWPJFGSA-N 435.355 6.166 30 10 IKEE CCOc1c(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CC2)cccc1OC 1874519823 NPSDPKMYNJRKSM-ZMOGYAJESA-N 442.972 5.391 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1cccc(Cl)c1 1874525681 AJVBRILQHNGTDD-LSHDLFTRSA-N 425.772 5.975 30 10 IKEE CCCCOc1ccc(/C=N/n2cnnc2SCc2c(F)cccc2Cl)cc1OC 1874540247 JVDNBDMEOGOBRU-BRJLIKDPSA-N 448.951 5.433 30 10 IKEE O=C(/C=C/c1ccccc1OCc1c(Cl)cccc1Cl)c1ccc2ccccc2c1 1874571337 IFFOHESDCLRIAX-CCEZHUSRSA-N 433.334 7.622 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1OCc1cccc(F)c1 1874579471 PWPLFSHDSQQQHV-PKNBQFBNSA-N 431.290 6.616 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(F)cc2)c1OCC(=O)Nc1cc(C)cc(C)c1 1874584543 UBEFQQIKAXBSDA-FMIVXFBMSA-N 433.479 5.365 30 10 IKEE C=C(C)COc1c(OC)ccc(/C=C/C(=O)c2ccc(OCC)cc2)c1Br 1874596201 JPEFDMOBXLGVIX-XYOKQWHBSA-N 431.326 5.707 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC)c(OCc3ccccc3Cl)c2)c1 1874596847 GMTHDZASUIRRHN-DHZHZOJOSA-N 438.907 5.841 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)ccc1OCc1ccccc1F 1874604665 ZCSQUXLIKUYIEX-FMIVXFBMSA-N 436.479 5.717 30 10 IKEE Cc1ccccc1COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1Cl 1874605772 FPQLZXUXPHSDBH-UXBLZVDNSA-N 431.746 7.430 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 1874616696 OGTPNSKSWIYXKY-XNTDXEJSSA-N 443.499 6.115 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OCC(=O)Nc1ccccc1C 1874620184 NDHUPISHLUGBSJ-XYOKQWHBSA-N 433.479 5.365 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)cc(Cl)c1OCC 1874628805 WZGUHQCEXHIMBB-VOTSOKGWSA-N 429.727 6.349 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OCC(=O)Nc2nccs2)cc1 1874634495 FFWNQWZRIQDCED-VMPITWQZSA-N 442.924 5.027 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc(Cl)c1OCC(=O)OC 1874635162 GXRVMKZVBWGDRN-PKNBQFBNSA-N 444.955 5.793 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OC(=O)Cc1ccc(F)cc1F 1874709483 JNGMSTVTPZHIQH-KRXBUXKQSA-N 444.380 5.296 30 10 IKEE CCOc1cccc(C(=O)Oc2cccc(/C=C/C(=O)c3cc(C)c(OC)cc3C)c2)c1 1874717817 LSRUIJLXQXXYBV-OUKQBFOZSA-N 430.500 5.826 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2)c(C)c1 1875085267 XMLDRDWTBYLUJY-FMIVXFBMSA-N 431.444 5.092 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(C)c3)cc2)cc1 1875107117 ARBPIZXMMCJDNS-MHWRWJLKSA-N 444.527 5.837 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)cc2)cc1 1875129600 KQPBCBPNHQKJQQ-HOIUMKBESA-N 446.930 6.344 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1 1875129893 YTFSYJJVEHKDLX-VIZOYTHASA-N 432.472 5.218 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 1875134075 PEFYQHWCMOVGIR-AWNIVKPZSA-N 445.471 5.726 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OCCC)cc2)cc(OC)c1OC(=O)C(F)(F)F 1875139090 QRVKUJCBKBXRIZ-KPKJPENVSA-N 448.437 5.576 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(C)c(C)c2)cc1 1875161302 JOHKFVYYWVJVPT-XNTDXEJSSA-N 442.555 6.725 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)c1cccs1 1875163503 NVODCWHGBLKPCC-JXMROGBWSA-N 440.467 5.879 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@H](C#N)[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 1880391779 QASOVNWDKHFAOE-UXHICEINSA-N 443.588 5.351 30 10 IKEE CCCCCCCCC[C@@H](O)c1c(Br)sc(Br)c1Cl 1923082074 XKBWWVCQSYIADP-SNVBAGLBSA-N 432.649 7.101 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1nc(Cl)cs1 2020251957 DQXXJJGKTQQORE-LBPRGKRZSA-N 428.739 5.565 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@H]2CC(C)(C)CN2C(=O)OC(C)(C)C)cc1 2033721763 ALCDSQQBXXCJML-UXHICEINSA-N 443.588 5.664 30 10 IKEE CC1(C)CC[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)[C@H](OCc2ccccc2)C1 2043779276 CDEBADPXLGASNO-HYBUGGRVSA-N 441.576 5.982 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(C(C)(C)C)CCN(C(=O)OC(C)(C)C)C1 2058042383 FJYHSXSLNMTBCX-HOFKKMOUSA-N 444.660 5.801 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1cccc(CCNC(=O)OC(C)(C)C)c1 2063595821 GGKBKMLFUCMEKS-RUZDIDTESA-N 438.612 5.568 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@@H]2C(C)C)cc1 2067954698 KBTNHWITPCNYPN-CJFMBICVSA-N 443.588 5.664 30 10 IKEE Cc1cc(C)c([C@@H](C2CCC2)n2nc(C3CC3)c(C#N)c2I)cc1C 2078984811 ZWRBRYGTYOXVLC-HXUWFJFHSA-N 445.348 5.552 30 10 IKEE N#Cc1c(C(F)F)nn([C@H](c2ccc(C(F)(F)F)c(F)c2)C2CC2)c1Br 2079848048 CADPIYKSYVOGJJ-ZDUSSCGKSA-N 438.169 5.612 30 10 IKEE CC(C)[C@@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)(F)F)c(C(=O)O)c1Cl 2080055676 IUPYFLPTHYXXDW-NSHDSACASA-N 432.723 5.657 30 10 IKEE C#CC(C)(C)C[C@@H](NCCC)c1cc(I)ccc1Br 2111304158 KSWQSLFWBXWNQC-OAHLLOKOSA-N 434.159 5.144 30 10 IKEE CC1(C)OB(c2cnc(N(Cc3ccccc3)C3CCCCC3)c3sccc23)OC1(C)C 2116139092 UXZLVFKNPCWXOK-UHFFFAOYSA-N 448.441 5.935 30 10 IKEE CN(Cc1ccc(Nc2ccc(C#N)c(Br)c2F)cc1)C(=O)OC(C)(C)C 2162349275 VBZXXXVPZPAXEN-UHFFFAOYSA-N 434.309 5.570 30 10 IKEE Cc1cccc(NC(=O)c2ccc(Br)cc2NC(=O)OC(C)(C)C)c1C#N 2181049419 XCLAQLWSJKGMCZ-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE CCCCCC#CC[C@H](NCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2203819129 KPCNJOLGFITJQH-FQEVSTJZSA-N 437.422 6.421 30 10 IKEE CCCCC#CC[C@H](NCCC)c1cc(Br)ccc1I 2203821098 BEAUMIVLCDRZFL-KRWDZBQOSA-N 448.186 5.678 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)nn1C(C)C 2232483402 KNRPUOVWKSLEEU-CRAIPNDOSA-N 443.430 5.127 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)c1cc(CNC(=O)OC(C)(C)C)cs1 2235745687 DWHHGGVSFAMQDR-GOSISDBHSA-N 449.414 5.238 30 10 IKEE C=CCC[C@H](C)[C@@H](NCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237427234 VVVDPRVVVQDRFO-FFZOFVMBSA-N 439.438 5.465 30 10 IKEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N(Cc1ccccc1)CC(C)(C)C 2247930717 KEURGRZRYWNQAY-UHFFFAOYSA-N 427.419 5.044 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)[C@]2(C#N)N(C(=O)OC(C)(C)C)C1CCC1 2249363713 IRERVMGAPVBOIM-ABELJDTGSA-N 433.593 5.142 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N(Cc2ccccc2)[C@H](C)C(C)(C)C)c1 2267594840 AMOUNWDYNFTXGW-HXUWFJFHSA-N 435.417 5.371 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](Nc2ccc(Br)c(C#N)c2)C[C@@H]2CCCC[C@H]21 2279540678 ZHIOZXPADSYRNR-POZUXBRTSA-N 434.378 5.301 30 10 IKEE COc1cc(C=C2SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc(OC)c1O 2296474078 ILJZTQJFNMSQKP-UHFFFAOYSA-N 432.501 5.218 30 10 IKEE COC(=O)c1ccc(C=C2SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1 2297532918 IDTSPQIBXYVEAG-UHFFFAOYSA-N 442.540 5.899 30 10 IKEE CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2299178405 ZEDKNLLGRDWCND-RTBURBONSA-N 435.609 5.484 30 10 IKEE COC(=O)c1ccc(C=C2SC(=Nc3nc(C)cs3)N(c3ccccc3)C2=O)cc1 2314544231 WRRMHILDJGSHSS-UHFFFAOYSA-N 435.530 5.047 30 10 IKEE Cc1ccc(Cc2nnc(S)n2N=Cc2ccc(OCc3ccccc3C)cc2)cc1 2321968358 SOIVOTSSLVIICV-UHFFFAOYSA-N 428.561 5.236 30 10 IKEE CCn1cc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(C(C)C)C4)c2cc(OC)ccc21 2322070099 RQXIGSLTXFCDDF-UHFFFAOYSA-N 432.520 5.155 30 10 IKEE COc1ccc(OC)c(C=C2Oc3c(cc4c(c3C)OCN([C@@H]3CCCC[C@H]3C)C4)C2=O)c1 2322391644 KFPCLAHVMHMLHM-OPAMFIHVSA-N 449.547 5.359 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCC(=O)OCC(C)C)ccc3ccccc23)cc1C 2322415092 XNTZUUQLHWBURT-UHFFFAOYSA-N 432.516 5.631 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)cc1 2322450110 IUELBOKOOZEPSG-UHFFFAOYSA-N 439.467 6.232 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2cc(Br)ccc2OCCc2ccccc2)cc1 2322725242 VEMAMDPRYRZCCK-UHFFFAOYSA-N 449.388 7.090 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2Cl)cc1OCC(=O)Nc1ccc(C)cc1C 2323087232 ZHJUCKGIWMUXIU-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE COc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCc1cccc2ccccc12 2323098018 VNXVSURTOMOWSK-UHFFFAOYSA-N 439.467 6.232 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OCC(=O)Nc2c(C)cccc2C)c1 2323177409 NYRMLNGLAXBKKV-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3ccc(C)cc3C)c2)cc1F 2323202342 IBKVLAVEUATWNV-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE COc1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1 2323423205 RGBPTHCKOGOKAS-UHFFFAOYSA-N 446.886 5.892 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 2323792056 GAVGHKSCPNAMIL-UHFFFAOYSA-N 449.934 5.961 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OCC(=O)Nc1cc(C)cc(C)c1 2323960170 ZTQHMJPHRAYBIP-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c1 2324014303 CWYVZWCYIAEELR-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 2324014405 NCRBKGUBHLADEM-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OCc1ccccc1Cl 2324097474 BQGGRZQGXLUOGQ-UHFFFAOYSA-N 436.891 5.943 30 10 IKEE Cc1c(O[C@@H](C)C(=O)OC(C)C)ccc2c1OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2324305603 OFEMXEPLIQTQRE-ZDUSSCGKSA-N 435.303 5.637 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OCc1cccc(Cl)c1 2324434210 GKOYEIRQAXEKCK-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1 2324651753 KGWKIESDPHJWEN-UHFFFAOYSA-N 434.363 5.917 30 10 IKEE Cc1cc(C)c(COc2ccc3c(c2)OC(=Cc2ccccc2OC(F)F)C3=O)cc1C 2324765119 CZKWYRZWVUWMAR-UHFFFAOYSA-N 436.454 6.408 30 10 IKEE COc1cccc(COc2ccc3c(c2C)OC(=Cc2cccc(OC)c2OC)C3=O)c1 2325698986 IXGSJSUHNLMLGW-UHFFFAOYSA-N 432.472 5.216 30 10 IKEE CCOc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2325705007 CVWLFQXQCPGKEW-UHFFFAOYSA-N 449.890 5.372 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccc(F)c(C)c3)c2)c1 2325706397 WQAXGEQQISZFQA-UHFFFAOYSA-N 434.463 5.196 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OC(=O)COc1ccc(C)cc1C 2325741099 HIDNBXPDEULVCN-UHFFFAOYSA-N 448.490 5.640 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1ccco1 2325883318 FRESHMNYXJUXBM-UHFFFAOYSA-N 432.549 5.586 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2N=Cc2cccc(OCCC)c2)CC1 2328180736 XIJVSZZJSCQTGN-UHFFFAOYSA-N 442.673 6.915 30 10 IKEE C=CCSc1nnc(CCc2ccccc2OC)n1N=Cc1c(F)cccc1Cl 2328699618 MANYJFBHWXUYCQ-UHFFFAOYSA-N 430.936 5.025 30 10 IKEE CCCCCCCCCOc1ccc(C=NN=c2ccc3nnc(C)n3[nH]2)cc1Cl 2328809236 MFSOQCUKVSLGPO-UHFFFAOYSA-N 428.968 5.083 30 10 IKEE Cc1cccc(CSc2nnc(COc3cccc(C)c3C)n2N=Cc2ccc[nH]2)c1 2328828057 BBPXHSAAEHSNRK-UHFFFAOYSA-N 431.565 5.285 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2ccc(F)cc2)cc1C 2329430310 CEGVTBORUWENHI-UHFFFAOYSA-N 444.579 5.842 30 10 IKEE Cc1ccsc1C=Nn1c(SCc2cccc(F)c2)nnc1-c1ccccc1Cl 2329554260 ZCERDKXARRUZIC-UHFFFAOYSA-N 442.972 6.282 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(F)cc3)n2N=Cc2cccc(O)c2)c1 2329817082 ZELYKVSYCRHYCT-UHFFFAOYSA-N 432.524 5.197 30 10 IKEE CCc1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2)cc1 2329837332 UGDDVMSUZRTRQY-UHFFFAOYSA-N 430.552 5.745 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2)n1N=Cc1cccc2ccccc12 2330105002 WVDWHVUMSRAXMG-OAQYLSRUSA-N 448.595 6.758 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1 2330621692 MXFYLCCPZZEDPT-UHFFFAOYSA-N 431.444 5.038 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2ccccc2)c(C)c1 2330705513 AMLFXDSHZHPOOC-UHFFFAOYSA-N 441.560 5.175 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)ccc1OC(=O)COc1ccccc1 2330765373 MOGMRRZPEBYDFY-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)C3CCCC3)c(OC)c2)cc1C 2330854855 MPRHXZROJZCDKN-UHFFFAOYSA-N 428.912 5.657 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2)ccc1OC(=O)c1cccc(F)c1 2330874276 JIRIIHDAAQPYDI-UHFFFAOYSA-N 434.463 5.657 30 10 IKEE Cc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCC(=O)N[C@H](C)c2ccccc2)cc1 2330874544 QXRZFHRBYKICSQ-LJQANCHMSA-N 449.624 5.027 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Br)cc2)cc(OC)c1OC(=O)C1CC1 2330894448 GQPDYRLOPSSEOF-UHFFFAOYSA-N 441.321 5.398 30 10 IKEE Clc1ccc(CSc2nnc([C@@H]3CCCO3)n2N=Cc2c[nH]c3ccccc23)cc1 2330986789 OGSYFEZOPQYKQF-FQEVSTJZSA-N 437.956 5.439 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc(F)c2)cc1)c1cccc(Br)c1 2330994364 RDSOEDKXHWWXFC-UHFFFAOYSA-N 425.253 5.704 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)c1cc2ccccc2n1C 2331081748 PIWBTJMIYXMANZ-UHFFFAOYSA-N 441.483 5.311 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OC(=O)Cc1ccc(F)cc1F 2331158034 BLDWIMYSUILLOU-UHFFFAOYSA-N 442.845 5.671 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)c1ccc(C)c([N+](=O)[O-])c1 2331180256 NYCQTBHIKRAAAK-UHFFFAOYSA-N 431.444 5.417 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2cc(C)ccc2C)nnc1-c1ccco1 2331208496 YFYPSAOCJBRNID-UHFFFAOYSA-N 444.560 5.894 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2OC)c1 2331237019 SGSJFLTVHRQQRU-UHFFFAOYSA-N 430.500 5.826 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 2331293273 QSWPDBPOHDYVNP-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)c(F)c3F)c(Cl)c2)ccc1F 2331337122 ZYGIZFMMBLKZRZ-UHFFFAOYSA-N 448.799 6.320 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2ccc(C)cc2)cc1 2331376842 CEZOUMYQTOCBPN-UHFFFAOYSA-N 435.597 5.059 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccccc2C)n1N=Cc1ccc(C(C)(C)C)cc1 2331638854 YJSQPBFTAAUQBR-UHFFFAOYSA-N 449.624 5.450 30 10 IKEE COC(=O)c1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C(C)C)cc1 2331716271 INBAOSUCRMQNTM-UHFFFAOYSA-N 446.935 5.155 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)[C@H](C)c3ccccc3)c(OC)c2)cc1C 2331854761 JASBCNJWBJRMQM-HXUWFJFHSA-N 444.527 5.926 30 10 IKEE COc1ccc2ccccc2c1C=NNc1oc(-c2ccc(Br)o2)nc1C#N 2331936425 BAEAZZCLFXQGQM-UHFFFAOYSA-N 437.253 5.177 30 10 IKEE C=CCC(CC=C)[C@H](NCCC)c1ccc(I)c(Br)c1 2364083265 KJFBRVCJGIGXFR-KRWDZBQOSA-N 448.186 5.863 30 10 IKEE CC1(C)OB(/C=C/c2ccc(NC[C@@]34CC[C@@H]3CN(Cc3ccccc3)C4)nc2)OC1(C)C 2365062572 MCDDVWCYQLZDDY-DCVZLNQWSA-N 445.416 5.050 30 10 IKEE CCCN[C@H](C#C[C@H]1CC1(C)C)c1ccc(I)c(Br)c1 2365096573 QYZCHKRQYORLGQ-XJKSGUPXSA-N 446.170 5.144 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(C)c(C)c(Br)c(C)c1C 2375352693 UMYZSTIUFZKDRK-YLJYHZDGSA-N 439.438 5.803 30 10 IKEE O=C(/C=C/c1ccc(Cl)cc1)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 8426902 YSLRRAQSYIDFNY-LZWSPWQCSA-N 440.724 6.251 30 10 IKEE CCCOC(=O)c1ccc(-c2ccc(/C=N\N(Cc3ccccc3)c3ccccc3)o2)cc1 9601511 NVJLEJJBTQOHOE-BRPDVVIDSA-N 438.527 6.554 30 10 IKEE C=CCOc1c(Br)cc(CNc2cccc(C(=O)NCC(C)C)c2)cc1OC 20878431 OAFFAOHEDGYDRE-UHFFFAOYSA-N 447.373 5.020 30 10 IKEE CCc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc3ccccc23)cc1 21229424 VLVLAOGUZNCACB-FWUCURJTSA-N 444.578 7.382 30 10 IKEE Fc1ccc(CN2CCC(CCc3ccc(C(F)(F)F)cc3)CC2)cc1C(F)(F)F 22630711 UDSFJKFCETYDMS-UHFFFAOYSA-N 433.411 6.708 30 10 IKEE CCOc1cc(/C=C2/CC/C(=C\c3cc(Cl)c(O)c(OCC)c3)C2=O)cc(Cl)c1O 33670698 QQAKAVJMPISDNX-BSHIDLADSA-N 449.330 6.032 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1Cl)C2=O)c1ccccc1F 35550478 MBLIVZNEMSVJCR-GRSHGNNSSA-N 429.230 5.968 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)C(c3ccccc3)c3ccccc3)ccc21 38707305 ZWPATGLTXXVSCB-UHFFFAOYSA-N 440.543 5.395 30 10 IKEE C=CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C)c(C)c2)cc1 39872395 NHFKWXWAWGVIIE-VWLOTQADSA-N 437.495 5.724 30 10 IKEE C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@@H]2CC[C@H]3[C@@H](C)CCCCC(C)(C)O)C[C@H](O)C[C@@H]1O 96030581 WKTIGYIYJKESCJ-IINCZKCLSA-N 430.673 6.095 30 10 IKEE C=C(C)C(=O)NCCCCCc1nc2ccccc2n1CCCCCCCCCCCC 102173683 HTXPXGAPGSLZTR-UHFFFAOYSA-N 439.688 7.362 30 10 IKEE CCCCCCCCN(CCCCCCCC)C(=O)c1cc(OC)c(OC)c(OC)c1 104777803 ATJIIEJLIWXQKG-UHFFFAOYSA-N 435.649 6.876 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(OC)cc2)c1 169921957 DTDQPHISNWKETE-QHCPKHFHSA-N 447.462 5.016 30 10 IKEE CCCN1C(=S)N[C@H](c2ccc(OCc3ccccc3)c(OCC)c2)C(C(C)=O)=C1C 169930306 IZALQGLLFIWROW-XMMPIXPASA-N 438.593 5.169 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2O)[C@@H]1c1cccc(C)c1 169970964 RSIKFNIPVDBRHB-XMMPIXPASA-N 443.499 5.109 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccccc2)cc1 170052547 RZNIKJSBAUNVOR-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccccc1F)c1ccc2c(c1)CCO2 170070594 IOYALDOBMMXFBB-JOCHJYFZSA-N 449.865 5.197 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1cccc(O)c1)c1cc2ccccc2o1 170079841 RZWBUGRKUIUOSL-QFIPXVFZSA-N 447.393 5.200 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(CCc2ccc(Cl)cc2)[C@H]1c1ccco1 170096893 MFNSCLXJNYURDA-QHCPKHFHSA-N 435.907 5.073 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc(OC)c2)cc1 170119311 SFSPVUFDKBCCNX-QHCPKHFHSA-N 435.520 5.005 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@H]1c1cccc(OC)c1 170120911 FBVHXQAOUCSBKQ-HXUWFJFHSA-N 448.544 5.115 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccc(C)c2)cc1 170142116 VZKPSXNCKBMVIV-DEOSSOPVSA-N 427.500 5.485 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccs2)cc1C 170162587 CPALJMIRNSKEGZ-NRFANRHFSA-N 437.517 5.217 30 10 IKEE NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1c1cccc(OCc2ccccc2)c1 170181440 SLIWFCUTFIOGDL-UHFFFAOYSA-N 439.540 5.106 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1ccccc1 170229438 GVMWRJSJVWEOOG-QFIPXVFZSA-N 449.453 5.373 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2F)c1 170251667 DLUOMQDHDNXGKY-NRFANRHFSA-N 443.902 5.399 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2cccc(O)c2)c1 170258459 CEMGNRPDGAPXGX-VWLOTQADSA-N 439.511 5.362 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2C)cc1 170274131 ONNAWWCGSLRTCD-QHCPKHFHSA-N 431.488 5.155 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@@H]1c1ccccc1C 170276600 MDLIMLVJACRBPR-FQEVSTJZSA-N 442.353 5.444 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@H]1c1ccco1 170285559 IIXUXQHOVPFSDK-QFIPXVFZSA-N 431.488 5.305 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1c1ccccc1O 170314552 ADCYVJHNTDBYJB-JOCHJYFZSA-N 445.540 5.424 30 10 IKEE COc1ccc(/C=N/N=C(C(=O)c2ccccc2)c2ccccc2)cc1OCc1ccccc1 252486913 ODFSYYMDRFEUAE-LNEHMKDVSA-N 448.522 5.980 30 10 IKEE O=C(Nc1ccc(N=C/C=C\c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1Cl 252627041 RKVOIYPIDGWDSG-KUISUMHASA-N 429.734 7.315 30 10 IKEE Cc1ccccc1OCCn1cc(C=NNC(=S)NCc2ccccc2)c2ccccc21 254290231 IDTJHOFVYDVESK-UHFFFAOYSA-N 442.588 5.027 30 10 IKEE CCCCc1ccc(NC(=O)C=NOCC(=O)Nc2ccccc2Cc2ccccc2)cc1 254572432 FQKQKFMKMAEVPG-UHFFFAOYSA-N 443.547 5.200 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2c[nH]c3ccccc23)cc1 526513822 BPDIOSCMHUNZIM-VWLOTQADSA-N 435.483 5.495 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1ccccc1Cl 526815391 SLHVFUKRONPTTO-YVNNLAQVSA-N 425.772 5.975 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1ccc(OC)cc1 526823970 CWTZIIGMMFMAIZ-FMCGGJTJSA-N 435.380 5.721 30 10 IKEE CCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1ccc(OCC)c(OCC)c1 526825005 FFRMQQFBNHTSRP-MYYYXRDXSA-N 442.560 5.342 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(NC(=O)Nc3cccc(C)c3)CC2)c1 586090708 GNFGHUIKXWFVBS-UHFFFAOYSA-N 434.584 5.259 30 10 IKEE CC(C)(C)c1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2cccc(C#N)c2)cc1 586142805 UFBXADNOVQNTJL-UHFFFAOYSA-N 432.589 5.289 30 10 IKEE N#Cc1ccccc1NC(=O)c1ccc(NC(=O)N(Cc2ccccc2)c2ccccc2)cc1 586666498 LXSFPPZMCCXPNF-UHFFFAOYSA-N 446.510 6.049 30 10 IKEE C=C(C)C[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCCC 686827856 QXDIUKAVGICYCG-QHCPKHFHSA-N 429.649 5.270 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@]1(C#N)CCc2c(Br)cccc21 698406319 KKIXBIPJNNEIGH-JOCHJYFZSA-N 427.342 5.551 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CSCCC1(C)C 698455070 BSDGDJUNRIUNEN-IBGZPJMESA-N 425.392 5.616 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCSc2ccccc21 698494943 AKHAOVSTGYVBCJ-OAQYLSRUSA-N 445.382 6.105 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)C1(C#N)CCN(Cc2ccccc2)CC1 698890082 HFQKYYAVYNYRCO-UHFFFAOYSA-N 425.960 5.640 30 10 IKEE C=C1CCC(C[C@H](NCCC)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 724567467 ABNHYCGPKFRHQF-DQEYMECFSA-N 443.676 5.516 30 10 IKEE C[C@H](CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C)C(=O)O 888085965 ODKUOSVRZSFRNA-IXDJVMFKSA-N 430.629 5.632 30 10 IKEE Cc1ccc(CSc2n[nH]c(NN=Cc3ccc4ccc5cccc6ccc3c4c56)n2)cc1 1083906116 JVJAUUPNNGLYRA-UHFFFAOYSA-N 447.567 6.749 30 10 IKEE C/N=C1/S/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)C(=O)N1C 1084070049 XKZKQIVNMJCGHJ-DZHGSHHNSA-N 437.348 5.113 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=Nc1nccs1 1772724607 CTMYYQBBSCQGSS-UBLAJHMLSA-N 438.490 5.101 30 10 IKEE Cc1cccc(N=C2S/C(=C/c3ccc(OCc4ccccc4Cl)cc3)C(=O)N2C)n1 1772731721 QRBRHDIRHITHOK-RWYGKYMDSA-N 449.963 5.856 30 10 IKEE Cc1ccc(COc2cccc(/C=C3/SC(=Nc4nc(C)cs4)N(C)C3=O)c2)cc1 1772735472 PYYQWUCLZLLRGQ-HHZJYHKJSA-N 435.574 5.573 30 10 IKEE CN1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=Nc1cccnc1Cl 1772739041 UPGXQHVCCUDEGT-BPHBXOPHSA-N 440.868 5.137 30 10 IKEE O=C1CSC(=NN=c2oc3ccccc3cc2-c2ccccc2)N1Cc1ccccc1 1772743044 BHLHACIIIPKLSK-UHFFFAOYSA-N 425.513 5.047 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc3c(OC(=O)c4cc(F)ccc4F)cccc23)c1 1858930212 XXPDRSWWNYOFBP-UHFFFAOYSA-N 428.394 5.461 30 10 IKEE O=C(N=C1NN=C(c2ccccc2)CS1)c1c2c(nc3ccc(Cl)cc13)CCCC2 1859646224 HWINVHKBTGBWDQ-UHFFFAOYSA-N 434.952 5.004 30 10 IKEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)c1ccc2nc(C(C)C)[nH]c2c1 1861443757 GAQRBPXXGFDJQD-UHFFFAOYSA-N 428.621 5.452 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)c1ccc(OCCCCCC)cc1 1861524557 UZCFXKDTKDFSOX-RUZDIDTESA-N 446.676 6.411 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccc(Cl)cc1)c1ccc(F)cc1F 1862416125 CWQCZPVBHKOJNG-OAQYLSRUSA-N 445.893 5.919 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccccc2Cl)=C(O)C(=O)N1CCc1ccccc1 1862429631 QXDXZCLOLSKHCW-QHCPKHFHSA-N 431.919 5.469 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(C(=O)O)cc1 1862446900 DGSKOBOAQIUVEX-FQEVSTJZSA-N 441.911 5.197 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2ccc(O)cc2)c1 1862490279 RTPFIMMSKXLCEK-QHCPKHFHSA-N 447.918 5.441 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1cccc(Cl)c1 1862527285 USUGCANTOJXGRR-SFHVURJKSA-N 448.744 5.481 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 1862580655 PIHIGLGKQPPXBB-OXJNMPFZSA-N 446.330 5.059 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(C(=O)O)cc1 1862582630 JIQVUTXUCCJSRH-GOSISDBHSA-N 448.302 5.070 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(C(C)(C)C)cc1 1862592702 IOKNCKRNDMBGPB-OUPRXKBMSA-N 447.575 5.847 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1c(Cl)cccc1Cl 1862596307 DSRPYJJJZZBTRV-LJQANCHMSA-N 434.319 5.468 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCc2ccccc2)c1 1862649202 SEGKGBJVILAQPN-HHHXNRCGSA-N 447.534 5.969 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccc1F 1862650260 RKIUWDVKOMHJOB-HGMMTPDKSA-N 443.518 6.136 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(C)cc1 1862659889 FLYBXSUTALPJJP-RSXGOPAZSA-N 447.619 7.056 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccc(O)cc2)cc1 1862661344 DWPKKCPBBJVPQJ-RUZDIDTESA-N 445.559 5.984 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(C)c2)cc1 1862674735 RYSJWBGARBHFAX-IQGLISFBSA-N 443.518 6.036 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1cccc(O)c1)c1ccc2ccccc2c1 1862712987 FGYOBDBIGWXFMU-SANMLTNESA-N 449.506 5.366 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccc(OC)c1 1862723722 FAMOHPHBQBHMIL-DEOSSOPVSA-N 427.500 5.351 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(C(C)C)cc1 1862726595 KLGBPJTYFSAJDJ-SANMLTNESA-N 437.539 6.241 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccc(Cl)cc3C)C(=O)N(c3ccccc3C#N)C2=O)c1 1863037005 QFPBLFNKULAWPE-UHFFFAOYSA-N 441.918 5.534 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(N(C)C)c2)=C(c2cc(C)ccc2C)C1=O 1863401523 ABRZHPLGEXOTBD-UHFFFAOYSA-N 447.623 5.922 30 10 IKEE CCc1nc(Nc2cccc(C#N)c2)cc(N2C[C@H](c3ccccc3)Cc3ccccc32)n1 1868268373 JQTYMRGCVNJTFY-HSZRJFAPSA-N 431.543 6.132 30 10 IKEE COc1cc2c(cc1OC)[C@H](C(C)C)N(c1cc(Nc3ccccc3C#N)nc(C)n1)CC2 1868490633 NHXNUGDXOUUXED-SANMLTNESA-N 443.551 5.177 30 10 IKEE COc1cccc(-c2nc(Nc3ccc(C#N)cc3)cc(N3C[C@H](C)Cc4ccccc43)n2)c1 1868515868 IHOAGQDBSYKBPJ-LJQANCHMSA-N 447.542 6.098 30 10 IKEE CCCCCCCCn1cc(OCCCCC)c(=O)cc1CNc1ccc(C)cc1C 1871130608 ZPLXLPKLBAFGKZ-UHFFFAOYSA-N 426.645 7.007 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(ccc4c3CN(C3CCCCC3)CO4)C2=O)cc1 1871346302 XYOAKXIPRFPZGC-XYGWBWBKSA-N 432.564 5.634 30 10 IKEE CCc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCOc2ccccc2)C4)cc1 1871346744 VBLLDSKLVXDGGP-XYGWBWBKSA-N 441.527 5.405 30 10 IKEE C[C@H]1CCCC[C@H]1N1COc2ccc3c(c2C1)O/C(=C\c1c(F)cccc1Cl)C3=O 1871350727 RFHOCYFKQFJPEM-ZPLCQEAQSA-N 427.903 5.826 30 10 IKEE COC(=O)c1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN([C@@H]2CCCC[C@H]2C)C4)cc1 1871351351 WMFHYOJNZHXMNG-FCXSKUKRSA-N 447.531 5.128 30 10 IKEE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2C)C3=O)cc1 1871377110 VKGVELUMASHCGK-QJYQMIDQSA-N 426.468 5.547 30 10 IKEE CCOc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871405245 BHYNZLLIFUVYKU-ZGWJWYQGSA-N 433.460 5.009 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(C)o1)C2=O 1871424224 BNUYGJMOXDOREE-XKZIYDEJSA-N 431.488 5.401 30 10 IKEE CCOc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871452335 LEOJTZGRAMJQTN-UCQKPKSFSA-N 447.462 5.167 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)c(C)c1 1871892256 ZTVPYOHUNWZMIK-DEOSSOPVSA-N 442.625 5.294 30 10 IKEE COc1cccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(Cl)c(Cl)c3)n2)c1 1872762652 SVZZYSMFPDLWML-BVBGJJFLSA-N 429.328 6.015 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3cccc(OC)c3)cs2)cc1OC 1872762736 VENFCBSJTRBJDN-LHUXKHBRSA-N 434.517 5.116 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(Br)cc3)n2)cc1 1872767858 BYKYDWNINFUZES-GOSISDBHSA-N 441.350 5.390 30 10 IKEE CC(C)c1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)n2)cc1 1872775978 FWKCHKUOAKSDCL-SFHVURJKSA-N 434.521 5.398 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@H](C#N)C(=O)C23CC4CC(CC(C4)C2)C3)n1 1872786372 IIYFYZLJCMNJRL-QQYMGJJXSA-N 440.996 6.173 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@H](C#N)C(=O)c2ccc(-c3ccccc3)cc2)n1 1872788347 HPOMAFMKZMASBC-OAQYLSRUSA-N 444.943 6.629 30 10 IKEE Cc1csc([C@H](C#N)C(=O)CCCOc2ccc(C(C)(C)C)cc2Br)n1 1872789523 LZCGAFDXQTUWID-OAHLLOKOSA-N 435.387 5.547 30 10 IKEE CCCCCCCCNC1=C(c2cccc(Cl)c2Cl)C(=O)N(CC(C)C)C1=O 1873129095 CSFCCQRPTSRIRN-UHFFFAOYSA-N 425.400 5.679 30 10 IKEE CCCCCCCCNC1=C(c2ccc(OC)cc2)C(=O)N(C2CCCCCC2)C1=O 1873142301 JLXPGCQKKGSIQP-UHFFFAOYSA-N 426.601 5.448 30 10 IKEE COc1ccc2ccccc2c1/C=N/Nc1oc(Cc2cccc3ccccc23)nc1C#N 1873463383 HJCQVFURXGTWGZ-STBIYBPSSA-N 432.483 5.898 30 10 IKEE CCOc1ccc(OCc2nnc(SC)n2/N=C/c2ccc(Cl)c(Cl)c2)cc1 1874234654 SJUOZAYHURPCCK-SSDVNMTOSA-N 437.352 5.167 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1ccc(CC)cc1 1874252702 VKMLJMOVCQXJKD-YZSQISJMSA-N 434.609 5.711 30 10 IKEE COc1ccc(OCc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccccc2)cc1 1874292911 SAFNGMILFLRXOA-CVKSISIWSA-N 448.523 5.179 30 10 IKEE O=[N+]([O-])c1ccccc1Cc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccccc1 1874296396 ZTHPGWAJWKLLJA-MFKUBSTISA-N 447.495 5.091 30 10 IKEE C=CCSc1nnc(CCc2ccc(OC)cc2)n1/N=C/c1ccc(OCCC)cc1 1874307247 MLYOKBVUMJUJET-XIEYBQDHSA-N 436.581 5.021 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3C)n2/N=C/c2cccnc2)cc1C 1874319741 GTEBFVWCMHUKMG-JFLMPSFJSA-N 443.576 5.352 30 10 IKEE Cc1ccccc1/C=N/n1c(Cc2ccc(Cl)cc2)nnc1SCCc1ccccc1 1874343068 XOTGWJOZGXIBGV-OVVQPSECSA-N 447.007 6.048 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(C)c3)n2/N=C/c2ccc(Cl)cc2)cc1 1874388533 QLLHSJADQGZRAY-JVWAILMASA-N 447.007 6.314 30 10 IKEE COc1ccccc1/C=N/n1c(Cc2ccccc2)nnc1SCc1ccccc1F 1874416700 DCPOALRTIJMUOV-WGOQTCKBSA-N 432.524 5.191 30 10 IKEE Cc1ccccc1CSc1nnc(-c2cccs2)n1/N=C/c1ccc2c(c1)OCCO2 1874420904 KLTJNXXWISLPIU-ZVHZXABRSA-N 448.573 5.261 30 10 IKEE CC(C)(C)Cc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1cccnc1 1874440032 FYXBHNPINCSFRU-WYMPLXKRSA-N 434.396 5.743 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1cccc(Cl)c1 1874440567 INMBEXAWNRAXDV-ZMOGYAJESA-N 433.408 6.348 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2C(F)(F)F)cc1 1874461088 VSAXODRMZNYOGY-BRJLIKDPSA-N 438.450 5.399 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1/N=C/c1cccc(C)c1 1874475508 DNNMBFVVVIYDMR-MFKUBSTISA-N 435.597 5.159 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2cccc(Cl)c2)c1 1874483835 QDMCEYCVDHAALM-ZMOGYAJESA-N 441.988 5.150 30 10 IKEE CC(C)Cc1nnc(SCCc2ccccc2)n1/N=C/c1ccc(Br)cc1 1874490298 JOECZRZNAIEDJY-HZHRSRAPSA-N 443.414 5.456 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CCC2)c1 1874496793 FMVYYCGNOQUGGL-MFKUBSTISA-N 441.000 6.162 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2C(C)C)cc1OC 1874513604 HLNUGNPCSBASJX-AFUMVMLFSA-N 438.597 5.600 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2cccc(Cl)c2)c1 1874516241 NKTRTKLNGGQEPX-WYMPLXKRSA-N 439.972 5.039 30 10 IKEE COc1cc(/C=N/n2c(C)nnc2SCc2cccc3ccccc23)cc(Cl)c1O 1874533122 SELZBAMQISRQTE-WYMPLXKRSA-N 438.940 5.282 30 10 IKEE Sc1nnc(-c2ccco2)n1/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 1874559910 WPOVKELMSMXKQV-FOKLQQMPSA-N 445.331 5.595 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(C)cc2)c1OCC(=O)Nc1ccccc1C 1874579375 KNPFCHLXAXRHKI-OUKQBFOZSA-N 449.934 5.879 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2c(OCC(=O)OCC(C)C)ccc3ccccc23)cc1 1874579966 QTJNIQBHGOESJP-CCEZHUSRSA-N 446.543 6.103 30 10 IKEE CC(C)COC(=O)COc1ccccc1/C=C/C(=O)c1ccc(Oc2ccccc2)cc1 1874585446 UCRFZFAKQIIXCW-SAPNQHFASA-N 430.500 5.953 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccccc1OCc1ccc(C)cc1 1874586676 YYJFWJNOWUSGHL-VAWYXSNFSA-N 427.327 6.786 30 10 IKEE CCCOC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1cc(C)c(Cl)cc1OC 1874588899 KLWCFICXZINATD-FNORWQNLSA-N 437.319 5.539 30 10 IKEE CCc1ccccc1NC(=O)COc1cccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c1 1874597424 LNBCEILOJLDSTP-QGOAFFKASA-N 441.571 6.460 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccc(F)cc3)c2)c(C)c1C 1874598646 XKJAPWSXMFJEEA-NTUHNPAUSA-N 433.479 5.365 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccc(C)cc3C)c2)c(OC)c1 1874598843 IBLKLNVXRGXSSC-UKTHLTGXSA-N 445.515 5.234 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(Cl)c1OCc1ccc(C)cc1 1874609295 JJINWURFYQAVTK-NTEUORMPSA-N 436.935 6.531 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OCc2cccc(C)c2)c(Br)c1 1874611548 NUCXZXAYNGYVEK-ZRDIBKRKSA-N 437.333 6.241 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)ccc1OCc1ccccc1 1874628399 BNSNVYSMQBGFGZ-CSKARUKUSA-N 443.326 6.486 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(Cl)c(Cl)c2)c1)c1ccc2ccccc2c1 1874692626 PRJNWSCNPVNQNQ-MDWZMJQESA-N 447.317 7.262 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)CCc3ccccc3)c2)cc1 1874695851 VLDBIKSVQWUFGW-QGOAFFKASA-N 442.555 6.472 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OC(=O)c1ccc(Cl)cc1 1874696926 IYCJLRJVXNGNEG-WUXMJOGZSA-N 427.283 6.117 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2)cc1OC(=O)c1ccc(Cl)cc1Cl 1874700523 XTFSAXVCAUMWPZ-YRNVUSSQSA-N 427.283 6.117 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)c2)cc1C 1874714047 BAXBYNLFOHASTL-VROYLXGSSA-N 442.555 6.696 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cccc(OC(=O)c2cc(C)cc(C)c2)c1 1874715394 REIGERIWFNOSMK-CMDGGOBGSA-N 434.919 6.389 30 10 IKEE CN(C)c1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3Cl)cc2)cc1 1875104826 PYNFKUCNJIOJAL-LHHJGKSTSA-N 440.326 6.175 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc(C)cc(C)c3)c([N+](=O)[O-])c2)cc1C 1875108589 WCZFQIXANVWKCL-VMPITWQZSA-N 445.471 5.644 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3ccccc3C)cc2)cc1 1875112800 PNZATQFAMCNEMJ-WOJGMQOQSA-N 430.500 5.664 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC(=O)c1ccccc1 1875117010 DUCFQVKSKLTGPZ-KPKJPENVSA-N 437.835 5.372 30 10 IKEE CCc1ccc(C(=O)Oc2c(OC)cc(/C=C/C(=O)c3ccccc3OC)cc2OC)cc1 1875118848 RMWIPGGEOBYCHA-NTCAYCPXSA-N 446.499 5.390 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(-c4ccccc4)cc3)cc2)c(C)c1 1875131426 XYIIWIZXLFBJRX-YBFXNURJSA-N 432.519 7.086 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2)c1 1875131564 DLLFPYKOWLTYMB-FOWTUZBSSA-N 428.528 6.273 30 10 IKEE COc1ccc(C(=O)Oc2c(OC)cc(/C=C/C(=O)c3cc(C)ccc3C)cc2OC)cc1 1875137841 HMSFPJWZTMCOMM-MDWZMJQESA-N 446.499 5.445 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc4c(c3)OCO4)c(Cl)c2)c1 1875139387 GNAIBAWQNHCGLE-VMPITWQZSA-N 434.875 5.801 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cc(Cl)c(OC(=O)CC)c(OCC)c2)c1 1875172290 NIESNNDZXYQOSG-PKNBQFBNSA-N 446.927 5.748 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)c(C)c3)c(Cl)c2)c(C)c1 1875182713 QZGDULKFZKREMM-JXMROGBWSA-N 432.947 6.997 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cc(C(F)(F)F)ccc3C)ccc21 1890512545 NGKWSPKSGFDQKF-UHFFFAOYSA-N 432.442 5.204 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1ncc(Br)cc1Br 1922054465 KCETXDKLWURZGZ-QGZVFWFLSA-N 440.179 5.030 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(C)C 1922106870 HKEOSHSPYUUCLC-GOTSBHOMSA-N 430.633 5.411 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@]1(C#N)CC(C)(C)[C@H]1OCc1ccccc1 1939565954 XBDNTQDSWFQENG-YKSBVNFPSA-N 426.582 5.763 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)cc1 1949109468 HYHGYQWQDRIGFA-IECBHUPTSA-N 427.545 5.028 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 1949350454 IPKIRGHDMWKEOI-XZOQPEGZSA-N 430.633 5.553 30 10 IKEE CC1(C)C[C@H]([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)N(C(=O)OC(C)(C)C)C1 2033724617 XTXCKLJRGPIUGZ-WOJBJXKFSA-N 449.636 5.874 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)C1(C#N)[C@H]2CC[C@H]1CN(Cc1ccccc1)C2 2037933124 ABPDZGJLTKBERP-SFTDATJTSA-N 435.543 5.372 30 10 IKEE Cc1cc(Br)sc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2039290701 XIUGIMVAELBWLE-AWEZNQCLSA-N 425.323 5.965 30 10 IKEE C=CCCCCC[C@@H](NCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2041904376 YYGMJKYDZZOZSX-SHQCIBLASA-N 444.660 5.945 30 10 IKEE CCCN[C@@H](CC#CC1CC1)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2041905562 JGURMOZGVVQRAN-RPLLCQBOSA-N 440.628 5.002 30 10 IKEE O=C(Oc1ccccc1C=CC(=O)c1cc2ccccc2o1)c1ccc(OC(F)F)cc1 2042444195 ZNRKPXHGFKQTEU-UHFFFAOYSA-N 434.394 6.150 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)Cc1cc(Cl)c(C)c(Br)c1 2048503442 LLEWWKCSMVJQFH-IRXDYDNUSA-N 432.786 5.174 30 10 IKEE C=CCCCC[C@H](N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071357750 RKVHFBQVRPTXQG-LBNVMWSVSA-N 431.576 5.952 30 10 IKEE C=C(c1ccccc1)[C@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)NCCC 2076574486 SNPMOBFARQFNQH-VWLOTQADSA-N 437.628 5.095 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@H](C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2077947528 IRYCRMDZBOUDHE-WOJBJXKFSA-N 449.636 5.874 30 10 IKEE CC(C)(C)OC(=O)c1c(C2CC2)nn(-c2ccc(C(F)(F)F)c(F)n2)c1C(F)(F)F 2078878644 FPSFBNJTBRGCCA-UHFFFAOYSA-N 439.331 5.277 30 10 IKEE Cc1ccc([C@H](C(C)C)n2nc(C(C)(C)C)c(C#N)c2I)c(F)c1 2079100741 PELVCAJZVJVYHX-INIZCTEOSA-N 439.316 5.350 30 10 IKEE CC(C)c1nn(Cc2cccc(C(F)(F)F)c2F)c(Br)c1C(F)(F)F 2079798527 FUXGCEYKKGFUKA-UHFFFAOYSA-N 433.165 5.994 30 10 IKEE CCCOc1ccc([C@H](n2nc(C3CCC3)c(C#N)c2Br)C2(C)CC2)cc1 2080069211 NQPCAJALYYONEE-FQEVSTJZSA-N 428.374 5.963 30 10 IKEE N#Cc1cnc2c(-c3ccc(C(F)(F)F)cc3Br)c(C3CC3)nn2c1Cl 2081431041 LVUMQINIVPKCFF-UHFFFAOYSA-N 441.638 5.580 30 10 IKEE COC(=O)c1cnc2c(-c3cc(F)cc(C(F)(F)F)c3)c(C(F)(F)F)nn2c1Cl 2081531606 RQIFPUYVHSNKSZ-UHFFFAOYSA-N 441.690 5.013 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(Cl)ccc(Br)c1F 2122141533 BSOJWKGUEGXLPB-YOEHRIQHSA-N 449.792 5.752 30 10 IKEE CCOC1(C)CCC(C#N)(N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)CC1 2161443115 NJPGFEDOCOYOMT-UHFFFAOYSA-N 437.378 5.822 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(C#N)cc2Br)C[C@@H]1C1CCC1 2194111406 JWXLDZWCJZKYEL-QFBILLFUSA-N 434.378 5.301 30 10 IKEE C[C@H](C[C@H]1CCCCCN1C(=O)OC(C)(C)C)Oc1cc(Br)cnc1C#N 2198815911 RDVNNVJHTVIYPE-GDBMZVCRSA-N 438.366 5.053 30 10 IKEE CCCCCCCC(=O)c1sc(Br)c(Br)c1Br 2216487464 KPAPLSSBNDOHPC-UHFFFAOYSA-N 447.030 6.579 30 10 IKEE C=CCCCCCCC[C@@H](N)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2227269450 ZZPAGFSTONYOEC-MUUNZHRXSA-N 443.631 7.761 30 10 IKEE CC#CCCC[C@@H](NCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237408034 ZIXBIAARXVCSIR-WOJBJXKFSA-N 437.422 5.057 30 10 IKEE C#CC[C@H](C)CN(C)C(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2243926445 JKMMRAKXFFEAJB-RXFWQSSRSA-N 446.591 5.058 30 10 IKEE C#CCCCCCNC(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2243926588 LCMWEPHLWPGHOV-AREMUKBSSA-N 446.591 5.250 30 10 IKEE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)C2=CC[C@H](C(C)(C)C)CC2)C1 2256775373 BMNPZLBWZDEUDT-QFIPXVFZSA-N 441.612 5.782 30 10 IKEE C=CCN(C[C@H](NCCC)c1cc(F)cc(Br)c1F)C(=O)OC(C)(C)C 2272742670 YTIRVJSKWOWSHW-INIZCTEOSA-N 433.337 5.191 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)c1cc(Cl)ccc1Br 2275827462 WGZBBTZWIQFCNK-FQEVSTJZSA-N 439.733 5.408 30 10 IKEE CCCC[C@H](C[C@H](C#Cc1cccc(Br)c1)NCC)NC(=O)OC(C)(C)C 2296222526 SMMPSOVMVPVAGS-VQTJNVASSA-N 437.422 5.252 30 10 IKEE CCN[C@@H](C#Cc1cccc(Br)c1)c1sc(Cl)cc1Br 2296224492 KUDQJTXRMTZZCM-ZDUSSCGKSA-N 433.596 5.629 30 10 IKEE O=C1C(=CC2=Cc3ccccc3OC2)Oc2cc(OCc3ccc(F)cc3Cl)ccc21 2296535111 IOHCJJOILLWQBU-UHFFFAOYSA-N 434.850 5.993 30 10 IKEE O=C(C=Cc1c(Cl)cccc1Cl)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2314429700 MOFLEXCVOUGIBH-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE CCOc1ccc(N=C2NC(=O)SC2=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 2314488772 OWCPXCMKUYMIIX-UHFFFAOYSA-N 435.461 5.781 30 10 IKEE CSC1(C#C[C@H](O)c2ccc(Br)cc2NC(=O)OC(C)(C)C)CCC1 2314663605 YTOCJQUWTFXAIJ-INIZCTEOSA-N 426.376 5.119 30 10 IKEE CC(C)=C(CN(C)[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21)B1OC(C)(C)C(C)(C)O1 2317859955 VYWUTQDPCVYATC-GRSYGWAWSA-N 425.422 5.270 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(OC(C)(C)C)cc1 2318574833 UUNYBGLDJRTIKV-UHFFFAOYSA-N 443.016 6.236 30 10 IKEE CC(C)(C)[C@H](CS)COCc1cc(I)ccc1Br 2319156709 GLMJMJOWZZEWRF-NSHDSACASA-N 443.188 5.162 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2ccccc2Cl)nnc1C1CC1 2320858448 JLIIXJQDFDXLGK-UHFFFAOYSA-N 426.973 5.772 30 10 IKEE Cc1ccc(COc2ccc3c(c2C)OC(=Cc2ccccc2Br)C3=O)cc1 2321745606 NGZMLAPYNUHQQT-UHFFFAOYSA-N 435.317 6.261 30 10 IKEE Cc1ccc(CCN2COc3cc(C)c4c(c3C2)OC(=Cc2cccc(F)c2)C4=O)cc1 2322220558 FOCUBNJHVMCKEC-UHFFFAOYSA-N 429.491 5.453 30 10 IKEE COc1cccc(C=CC(=O)c2ccc3ccccc3c2)c1OCc1ccccc1Cl 2322328372 QPKFRIOEPZHACR-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)c4ccc(Br)cc4)cc(C)c3C2=O)c1 2322708264 BAPGRCKYQXJILT-UHFFFAOYSA-N 449.300 5.901 30 10 IKEE Cc1ccc(C)c(COc2ccc3ccccc3c2C=CC(=O)c2ccc(F)c(F)c2)c1 2322781642 JJFSCOCDENVKQY-UHFFFAOYSA-N 428.478 7.210 30 10 IKEE COc1cc(C(=O)C=Cc2ccccc2OCc2ccc(Cl)cc2)c(OC)cc1Cl 2322864010 CMXZFWFPMQPJND-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE Cc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(Br)c2)C3=O)c1 2322884150 KZIIUDIRBRUTLJ-UHFFFAOYSA-N 449.300 5.901 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)c4cccc(Br)c4)c3C)C2=O)o1 2322937535 RXYXTRKKCQMGQP-UHFFFAOYSA-N 439.261 5.494 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OCC(=O)Nc1cc(C)ccc1C 2323169007 VVVLHNAZBVNRSV-UHFFFAOYSA-N 447.506 5.673 30 10 IKEE CCCOc1ccccc1C=CC(=O)Oc1ccc2c(c1C)OC(=Cc1ccccn1)C2=O 2323341668 ALTKSCFEZUKUSH-UHFFFAOYSA-N 441.483 5.414 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1)NC1CCCCC1 2323341860 WSKGPMRNNOFCAJ-UHFFFAOYSA-N 439.555 6.077 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1OC 2323441367 HAXGLFHFRIFZJA-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3nccs3)c(Cl)c2)cc1C 2323561584 PHLSTRQTTFBMQG-UHFFFAOYSA-N 442.924 5.027 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(F)cc1 2323802651 VXBJYEKMKWFLRG-UHFFFAOYSA-N 439.870 5.401 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)cc1 2323827307 SEKROORFQUZYSB-UHFFFAOYSA-N 440.898 6.362 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccccc4Cl)c3C)C2=O)cc1 2324395022 LRQJPEDWRCVURE-KRWDZBQOSA-N 447.918 5.979 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)c(C)c1 2324494253 IYEWBSWFLUJIOX-HXUWFJFHSA-N 439.511 5.882 30 10 IKEE Cc1cccc(OCCOc2ccc3c(c2)OC(=Cc2cn(C)c4ccccc24)C3=O)c1 2324527546 JGMKJKRXQCIIKB-UHFFFAOYSA-N 425.484 5.561 30 10 IKEE COC(=O)c1ccc(C=C2Oc3cc(OCCOc4ccc(C)cc4)cc(C)c3C2=O)cc1 2324538691 JTYHJNGDISDAQW-UHFFFAOYSA-N 444.483 5.164 30 10 IKEE COC(=O)COc1ccc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1Cl 2324591666 VHUBCORMUGEKAK-UHFFFAOYSA-N 429.683 5.103 30 10 IKEE COc1ccc(OCCCOc2cc(C)c3c(c2)OC(=Cc2ccccc2C)C3=O)cc1 2324706286 KRKSELAMFIBTGV-UHFFFAOYSA-N 430.500 5.776 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1ccc2c(c1)OC(=Cc1ccc(OC)cc1)C2=O 2325092334 UESJMBMOPZKLSZ-QFIPXVFZSA-N 438.520 5.592 30 10 IKEE COc1cccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(C(F)(F)F)cc3)c2)c1 2325707748 IDUZUESFLAZZJB-UHFFFAOYSA-N 426.390 5.829 30 10 IKEE CCCCC1CCC(C(=O)Oc2cccc(C=CC(=O)c3ccc(OCC)cc3)c2)CC1 2325734759 JOMUBCHZEPHGGN-UHFFFAOYSA-N 434.576 6.883 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(CC)cc3)c2)cc1 2325738976 DKNSBFMKBRLMQN-UHFFFAOYSA-N 444.527 6.162 30 10 IKEE CCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1N=Cc1cccc(O)c1 2325844144 BDXXLCCHBLMRQA-UHFFFAOYSA-N 438.597 5.287 30 10 IKEE Cc1cccc(CSc2nncn2N=Cc2ccc(OC(=O)c3ccc(F)cc3)cc2)c1 2326373246 HYKDKUUNXBLSPC-UHFFFAOYSA-N 446.507 5.119 30 10 IKEE CCOc1ccc(OCc2nnc(SCc3cccc(C)c3)n2N=Cc2ccc[nH]2)cc1 2326639563 PSENBPDUPNSJPJ-UHFFFAOYSA-N 447.564 5.067 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1ccc(OCCC)cc1 2326681449 QOWXBUVWMNJIPG-UHFFFAOYSA-N 433.581 5.456 30 10 IKEE CCCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1N=Cc1cccc(Cl)c1 2326801775 TZKNZJHGCNLCPT-UHFFFAOYSA-N 442.972 5.235 30 10 IKEE CCCCC1CCC(c2nnc(SCc3cccc(C)c3)n2N=Cc2ccccn2)CC1 2328131356 KXCFRQXKSLCIRO-UHFFFAOYSA-N 447.652 6.620 30 10 IKEE C=CCSc1nnc(CCc2ccccc2C)n1N=Cc1ccc(C(F)(F)F)cc1 2329490314 QILPCHLPANDBGC-UHFFFAOYSA-N 430.499 5.551 30 10 IKEE Fc1ccc(CSc2nnc(-c3ccccc3Cl)n2N=Cc2cccc(F)c2)cc1 2329539665 KAZSWTREUQFCJD-UHFFFAOYSA-N 440.906 6.051 30 10 IKEE Oc1cccc(C=Nn2c(CCc3cccs3)nnc2SCc2ccc(F)cc2)c1 2329638911 XTWUEOOPSZGFGJ-UHFFFAOYSA-N 438.553 5.144 30 10 IKEE Cc1ccc(C=Nn2c(Cc3ccccc3F)nnc2SCc2ccc(C)cc2)cc1 2329700781 AWHGUYSEDSFMAH-UHFFFAOYSA-N 430.552 5.799 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3F)n2N=Cc2sccc2C)c1 2329717397 KTYVNEAHLWPFOI-UHFFFAOYSA-N 436.581 5.861 30 10 IKEE CCSc1nnc(Cc2ccc(F)cc2)n1N=Cc1cccc(OCc2ccccc2)c1 2329827160 HPSNEBKUPZEGOR-UHFFFAOYSA-N 446.551 5.581 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)C=Cc1ccc(OC)c(OC)c1 2330075853 ZBNUCQATTYNSNT-SANMLTNESA-N 446.632 5.259 30 10 IKEE Cc1ccc(CSc2nnc(CC3CCCCC3)n2N=Cc2cccc(Cl)c2)cc1 2330222077 SSQQGPCCEVSXOA-UHFFFAOYSA-N 439.028 6.537 30 10 IKEE Cc1ccc(C=Nn2c(SCC(=O)Nc3ccccc3F)nnc2-c2ccccc2)cc1 2330631834 KNPXQXMETXSFLJ-UHFFFAOYSA-N 445.523 5.006 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc4ccccc4c3)cc2)cc1C 2330651643 DGOCVQRUJHYYSU-UHFFFAOYSA-N 436.507 6.337 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(OC)cc3)c(Cl)c2)cc1 2330743634 GGHUPUQZPJZLGC-UHFFFAOYSA-N 434.919 5.955 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)cc2)c1 2330777246 SYMJNQKVSGPMFR-PKTZIBPZSA-N 432.903 5.954 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3Cl)cc2)c1 2330805468 SXTGITAPMYOSDG-UHFFFAOYSA-N 441.310 6.507 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2ccccc2F)nnc1[C@H]1CCCO1 2330961076 IJTRGRYMHKWTGS-OAQYLSRUSA-N 440.544 5.232 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3ccccc3C)nnc2C2CCCC2)cc1 2331030685 ZTWUPVJDLWMASU-UHFFFAOYSA-N 434.609 6.207 30 10 IKEE COc1cccc(C=Nn2c(SCc3cccc(C)c3)nnc2C2CCCC2)c1OC 2331045383 JLFAZGZTMCVNMO-UHFFFAOYSA-N 436.581 5.436 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2OC)cc(OC)c1OC(=O)c1cccs1 2331079835 LOZJHAHLELHWEQ-UHFFFAOYSA-N 434.513 5.609 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2-c2ccccc2)cc1)c1ccc(F)cc1F 2331084441 ZUEXRHKLTOGTJM-UHFFFAOYSA-N 440.445 6.747 30 10 IKEE Fc1cccc(Cl)c1C=Nn1c(SCc2ccccc2Cl)nnc1-c1ccco1 2331211309 IBDUWOHWVVUFJZ-UHFFFAOYSA-N 447.322 6.159 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cc(Cl)ccc1O 2331404498 MQMMKAYETCAOLZ-UHFFFAOYSA-N 435.380 5.763 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1Br 2331416924 UIDKYPWEFDXSJX-UHFFFAOYSA-N 443.381 6.738 30 10 IKEE CCc1ccc(C=Nn2c(SCC(=O)Nc3ccccc3CC)nnc2C2CCC2)cc1 2331491453 HWUCQMOJZPEYSW-UHFFFAOYSA-N 447.608 5.283 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)c1ccc(C)cc1 2331553071 QDOQKIQXCHQQRK-UHFFFAOYSA-N 442.845 6.051 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)cc(OC)c1OC(C)=O 2331637720 LNXOBBWEWFAKMC-UHFFFAOYSA-N 435.303 5.561 30 10 IKEE COC(=O)c1nc(-c2cccs2)oc1NN=Cc1cccc(OCc2ccccc2)c1 2331932063 XAPUYLWITVKWQT-UHFFFAOYSA-N 433.489 5.215 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCCC)c2cc(Br)ccc2OC)C1 2364619052 FHWWEAQZGSKVNW-SFHVURJKSA-N 439.394 5.112 30 10 IKEE CC1(C)OB(/C=C/c2ccc(NC3C[C@@H]4CC[C@H](C3)N4Cc3ccccc3)nc2)OC1(C)C 2365106393 DNVUSUWNBHHABK-WLVYQMHCSA-N 445.416 5.334 30 10 IKEE Cc1c([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)ccc(Cl)c1Cl 2366092584 SEIKFXVISZRNKL-KRWDZBQOSA-N 425.743 6.962 30 10 IKEE C=CCN1C(=O)/C(=C/c2cccc(OCCCOc3ccccc3Cl)c2)SC1=S 2878252 OOTZKPQJCFBXAU-HKWRFOASSA-N 445.993 5.575 30 10 IKEE C=CCN1C(=O)c2ccccc2Sc2ccc(C(=O)NCCc3ccc(C)cc3)cc21 3050276 ITEUWBXKLJHMKH-UHFFFAOYSA-N 428.557 5.265 30 10 IKEE Fc1ccc(/C=N/n2c(-c3cc4ccccc4o3)cs/c2=N\c2ccc(F)cc2)cc1 12601339 AVZJUNQHESNZDR-QKKHUYDQSA-N 431.467 6.356 30 10 IKEE CCc1ccc2oc(-c3cc(/N=C/C=C/c4ccc(Br)cc4)ccc3O)nc2c1 16162184 WYCAJGGUYHLPFJ-DWOGBDTMSA-N 447.332 6.941 30 10 IKEE Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(Cl)c2Cl)cc1 21252889 CAGFESZVJRYACO-QLXKLKPCSA-N 449.381 7.281 30 10 IKEE COc1ccc([C@H]2C3=C(C[C@@H](c4ccc(Cl)cc4)CC3=O)Nc3onc(C)c32)cc1O 33324918 FUGDOBUCZVYHSV-IVZQSRNASA-N 436.895 5.309 30 10 IKEE COc1ccc2cc(C(=O)/C=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)ccc2c1 33560570 DQQPJVUFGAORJJ-OQFOIZHKSA-N 443.484 5.594 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)cc21 38707867 VAISEYJQEJDXTF-UHFFFAOYSA-N 442.943 5.074 30 10 IKEE O=C1/C(=C/c2ccccc2Cl)Oc2cc(OCc3ccc(Cl)c(Cl)c3)ccc21 39754114 LXJFBBTXZRZRDA-FBHDLOMBSA-N 431.702 6.842 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1ccc(C(C)C)cc1 40093660 NFLQISBCMOMLJV-VWLOTQADSA-N 449.591 6.284 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccc(Cl)cc1 40095775 HANXNUMQKBIQGT-QKKBWIMNSA-N 425.912 5.042 30 10 IKEE C=C(C)C(=O)NCCCCCc1nc2ccccc2n1CCCOc1ccc(Cl)cc1 40219814 RUVJZJPQIUTTFQ-UHFFFAOYSA-N 439.987 5.564 30 10 IKEE COc1ccc(-c2nc(SC)nc(Nc3cccc4cccnc34)c2C#N)cc1OC 62041307 PRIIEBBOGXZXGY-UHFFFAOYSA-N 429.505 5.046 30 10 IKEE Cc1ccc2nc(/C(Cl)=C\c3cccc(OCc4cccc(C#N)c4)c3)cc(=O)n2c1 97152252 MKBRELRVHJDJKL-WSDLNYQXSA-N 427.891 5.191 30 10 IKEE CCCCCCCOc1ccccc1[C@]1(C)Nc2ccccc2C(=O)N1Cc1ccco1 100133194 MEJXCWNVTZNPKK-HHHXNRCGSA-N 432.564 6.570 30 10 IKEE CCCCCCCCCn1c(CCCNC(=O)c2ccccc2Cl)nc2ccccc21 102149794 AEMBYOOGQUCMTP-UHFFFAOYSA-N 440.031 6.803 30 10 IKEE Cc1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 102582597 DRKMWZBPSIYESD-AGGMBTAESA-N 448.862 5.183 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccc(C)c(C)c2)c1 169932695 YWZHHQFBWLYWFY-DEOSSOPVSA-N 445.490 5.542 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3ccc(OC)c(OC)c3)cs2)ccc1OC(C)C 169941113 BDXFHVYUTJRYQG-CFRMEGHHSA-N 441.553 5.459 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccc2ccccc12)c1cc2ccccc2o1 170045477 KIOCHCGPMWQLEK-VWLOTQADSA-N 449.462 5.958 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccccc2)c1 170047050 AECHLWQGMCRNCU-HSZRJFAPSA-N 447.918 5.912 30 10 IKEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccccc2)cc1 170054076 UNYYKXLMZHJUMN-QHCPKHFHSA-N 447.918 5.170 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2ccc(F)cc2)cc1 170061830 LKTDTNVZIRDJRO-QHCPKHFHSA-N 431.463 5.180 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccccc2F)cc1C 170069932 JGARPRXWFZPJJD-DEOSSOPVSA-N 429.491 5.842 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc3c(c2)OCO3)=C(c2ccc(C)cc2)C1=O 170077492 PIXQOIFKNNRNKN-UHFFFAOYSA-N 434.536 5.276 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2cccc(O)c2)cc1C 170081421 ZPTCOAGPPIRKCH-JOCHJYFZSA-N 433.891 5.445 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@@H]2c2ccco2)cc1 170090704 JQQGFPMYMVFQIS-HSZRJFAPSA-N 429.516 5.922 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(O)cc2)cc1C(C)C 170138373 BTHRYJOPLOPFDY-HSZRJFAPSA-N 435.520 5.045 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccc(C)c2)c1 170141744 NAGLCXYXTDTFHD-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@H]1c1ccccn1 170181268 YKGONASHGIWMCM-HXUWFJFHSA-N 447.560 5.282 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(Cl)c3)[C@@H]2c2cccnc2)cc1 170189291 XGAPSKMQAHDDCO-FQEVSTJZSA-N 439.298 5.480 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1cccnc1)c1ccc2c(c1)CCCC2 170191880 SCDHUTFIPIFLLS-QHCPKHFHSA-N 446.453 5.022 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccccc2)c1 170221423 APGOLWQJOPKNOR-RUZDIDTESA-N 435.479 5.631 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2F)c1 170250452 UEFCELDATUXQFV-QHCPKHFHSA-N 449.478 5.232 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1ccco1 170290670 XPJIUVLLUJSXIK-IBGZPJMESA-N 445.805 5.003 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccc(C)o2)cc1 170301772 UAKNZFLVPAULCT-DEOSSOPVSA-N 445.515 5.777 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1sccc1C 170315416 CTBMUBLFPVJPFZ-JOCHJYFZSA-N 447.556 5.935 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@@H]1c1ccc(Cl)cc1)c1ccco1 170375334 WJUZPPSTSSAVAN-GOSISDBHSA-N 432.234 5.508 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2cccc(Cl)c2)cc1 170453864 UERIFLCGXOUMNQ-OAQYLSRUSA-N 426.944 5.311 30 10 IKEE C=CCOc1cc(C(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)cc2occc12 222290480 MADWCFZPMDOMSO-UHFFFAOYSA-N 429.476 5.067 30 10 IKEE CCCCCCCCC[C@H](C(=O)O)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 232918433 QSVZPWRUTINDRN-RUZDIDTESA-N 437.580 6.461 30 10 IKEE Cc1ccc(C(=O)Oc2oc(-c3ccccc3)nc2C=Nc2ccc(N(C)C)cc2)cc1 254317263 IAVGIVYSGXFYDR-UHFFFAOYSA-N 425.488 5.686 30 10 IKEE aggregator Cc1c(N=Cc2ccc(C(=O)/C=C/c3ccc(Cl)cc3)o2)c(=O)n(-c2ccccc2)n1C 254555976 VKTUMLBKUFPGRW-WWPQFBBKSA-N 445.906 5.378 30 10 IKEE CCOc1ccc(-n2c(-c3ccccc3)cc(C(C)=NOCc3ccc(C#N)cc3)c2C)cc1 254569156 MTTGPDDRMKDPSY-UHFFFAOYSA-N 449.554 6.664 30 10 IKEE Sc1nnc(-c2cc(-c3ccccc3)[nH]n2)n1N=Cc1cccc(Oc2ccccc2)c1 254573670 UNVIJUINKSQFCK-UHFFFAOYSA-N 438.516 5.298 30 10 IKEE CCOc1ccc2nc(SCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)sc2c1 261526890 OUIDRWSIIXKRIW-GFCCVEGCSA-N 443.619 5.484 30 10 IKEE C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CC=C(c5ccc(Cl)cc5)CC4)[C@H]3C[C@H]12 504765705 IUHODRMRSHJGHQ-FYAAGUIMSA-N 426.000 5.743 30 10 IKEE biogenic CN(C)c1ccc([C@@H]2C[C@]3(C)[C@H](CC[C@]3(O)CCCO)[C@@H]3CCC4=CC(=O)CCC4=C23)cc1 504820526 IEXUMDBQLIVNHZ-NCPANSIKSA-N 449.635 5.156 30 10 IKEE biogenic CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(F)cc2)cc1 526487043 TXTOLNRFASOZLW-XMMPIXPASA-N 428.463 5.543 30 10 IKEE Cc1cccc([C@@H]2C(c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2c2cccc(C#N)c2)c1 526522624 RQLBQSRXCILCNX-JOCHJYFZSA-N 435.310 6.231 30 10 IKEE COc1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1Cl 526607795 WPZKOCCDQVWJRO-QFIPXVFZSA-N 434.854 5.417 30 10 IKEE Cc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 526607963 ATBJTOAMFNPZKO-QFIPXVFZSA-N 435.310 6.231 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccc(OC)cc1OC 526821361 OPWBWOFBIKLKFX-MYYYXRDXSA-N 432.549 5.185 30 10 IKEE CCOc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)Cc2ccccc2Cl)cc1 586149075 HFEGDAHDDWBLAY-UHFFFAOYSA-N 440.952 5.001 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@](C)(C#N)CCCC(F)(F)F 698449992 BRBSKQQXWZIHOU-KRWDZBQOSA-N 435.284 6.205 30 10 IKEE CC(C)[C@H]1CCCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 698453592 VBTCWLBEYGEFAF-KNQAVFIVSA-N 435.406 6.689 30 10 IKEE CC(C)(C)OC(=O)N1CCC(C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)CC1 698888839 AGYBMDIROLFHJD-UHFFFAOYSA-N 435.952 5.375 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@H](C#N)c1ccc(Br)c(F)c1 710751516 FSKMTTXIICACTL-SFHVURJKSA-N 425.342 6.113 30 10 IKEE CCCCNc1nc(C)c(C#CC(C)(C)c2ccc(C(F)(F)F)cc2)c(NC(C)=O)n1 1615946161 GPKNISKBCPFRJK-UHFFFAOYSA-N 432.490 5.304 30 10 IKEE C[C@H](CCC=O)[C@H]1CC[C@H]2C3=CC[C@@H]4C[C@@H](O[C@@H]5CCCCO5)CC[C@]4(C)[C@H]3CC[C@@]21C 1848440632 OPWKMRIKPKJGNX-VYHFWTIISA-N 442.684 7.092 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCC)NC(=O)COc1ccc(C)cc1C(C)(C)C 1861625904 KNPAINHZUZPHBG-QFIPXVFZSA-N 432.649 5.433 30 10 IKEE COc1cc(-c2nc3ccc(C(=O)Nc4ccccc4C#N)cc3[nH]2)cc(Cl)c1OC 1861860012 GRGKWPCZRNGBNH-UHFFFAOYSA-N 432.867 5.024 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 1862379431 BLVJXNMEQVKRPH-OXQOHEQNSA-N 446.330 5.059 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc(O)c2)cc1 1862389672 LAACPBAKCFCMTH-DEOSSOPVSA-N 433.548 5.646 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(C)cc2)cc1C 1862400866 OMUIOFMFXQTEFV-JOCHJYFZSA-N 433.529 5.152 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)c1 1862413357 ARWVDSLCHPPQMU-VQUVXCFPSA-N 441.474 5.130 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(Cl)c(Cl)c1 1862415788 GHTYIYLQAVHWPG-GOSISDBHSA-N 440.273 5.506 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc(OCC)c1 1862478480 IDRMBKSBASAGMK-DHLKQENFSA-N 449.591 6.331 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccc(C)c2)c1 1862478545 JMTHLZKBGUDMNV-VWLOTQADSA-N 441.527 5.481 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2c(F)cccc2Cl)cc1 1862481198 ZFJKDODYMXEDGF-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccccc1F 1862501364 BCOBACPQFOYXOB-MBSDFSHPSA-N 441.518 6.210 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2cccc(F)c2)ccc1F 1862502283 VYUQYRNPXPHGGP-XMMPIXPASA-N 447.481 5.484 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(F)cc1 1862530061 MTLPVXHIQFXVEZ-UPVQGACJSA-N 437.555 6.325 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cccc(Cl)c1)c1ccc2c(c1)CCCC2 1862547969 HMBKYNMSZZNHOQ-XMMPIXPASA-N 449.978 6.130 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCC(C)C)c1 1862548492 STKCAJIEKZRQBT-DEOSSOPVSA-N 433.548 5.198 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)cc1 1862660686 OSLMYCXNILMWIU-HFRGRHLUSA-N 431.576 6.275 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)c1 1862661219 UTQLMUSTQPGYAV-DNVKUUNQSA-N 431.576 6.275 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C2CCCCCCC2)c1 1862674115 SPZHSGNZTYAGPO-QHCPKHFHSA-N 437.511 5.526 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2Cc2ccccc2)c1 1862715386 NFSMGQNQFVWVSV-AREMUKBSSA-N 449.506 5.627 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(Cl)c1 1862744748 UAQUPAGOUJRFBD-ADLMAVQZSA-N 449.290 5.278 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccccc3F)C2=O)cc1Cl 1862924982 VYXAQXWHJOREQV-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE C=CCN1C(=O)C(Nc2cccc(N(CCC)CCC)c2)=C(c2ccccc2Cl)C1=O 1863449108 PHIODVHGNBIFFV-UHFFFAOYSA-N 437.971 5.344 30 10 IKEE COCCc1nc(Nc2ccccc2C#N)cc(N2C[C@H](C)Cc3c(C)ccc(C)c32)n1 1868261922 CYQUAWBCSHSUJZ-QGZVFWFLSA-N 427.552 5.228 30 10 IKEE Cc1nc(Nc2ccc(C#N)cc2)cc(N2CCC(Cc3ccc(C(C)(C)C)cc3)CC2)n1 1868494623 PMKCTHXXOCHVMU-UHFFFAOYSA-N 439.607 6.157 30 10 IKEE CCOc1ccc(-c2nc(Nc3ccccc3C#N)cc(N3C[C@H](C)OCC3(C)C)n2)cc1 1868533891 JAIIHELZQSPVGR-SFHVURJKSA-N 443.551 5.161 30 10 IKEE Cc1ccc(Cl)cc1-n1nnc(C#N)c1NC(=O)[C@H](Cc1ccccc1)c1ccccc1 1870148038 SEKQZIXSXGCLAI-OAQYLSRUSA-N 441.922 5.066 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCCCC)c(=O)cc1CSC(C)(C)C 1870215649 AROJPPYJCMKKGZ-UHFFFAOYSA-N 439.662 5.963 30 10 IKEE C=CCn1cc(OCc2ccccc2F)c(=O)cc1CN(CCCC)CCCCCC 1870345510 AKDOHCSHGPGSMD-UHFFFAOYSA-N 428.592 5.935 30 10 IKEE CCCCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CN1CCC[C@H](C)C1 1870352665 FQKJXXCLDSBPGP-DEOSSOPVSA-N 432.693 6.646 30 10 IKEE C#CCOc1cn(CCC2=CCCCC2)c(CN2CCC(Cc3ccccc3)CC2)cc1=O 1870561478 OSTVHZVQXWEFCD-UHFFFAOYSA-N 444.619 5.206 30 10 IKEE C=CCOc1cn(CCCCCCCCCC)c(CNc2ccc(Cl)cc2C)cc1=O 1870812869 MLOOUUYBTLKMAG-UHFFFAOYSA-N 445.047 7.128 30 10 IKEE O=C1/C(=C/c2ccc3c(c2)OCO3)Oc2c1ccc1c2CN(Cc2cccc(Cl)c2)CO1 1871348079 PDMNRBAFHGDOEJ-RMORIDSASA-N 447.874 5.037 30 10 IKEE CCc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2cccc(Cl)c2)C4)cc1 1871348219 YQAGDSFBMFOJAW-CFRMEGHHSA-N 445.946 6.179 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccco4)ccc3C2=O)c2ccccc21 1871369419 KXAAASOVBIVMTR-IGJFBMOASA-N 425.440 5.489 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O 1871371660 BPABLJJYHCKQLC-MTJSOVHGSA-N 426.802 5.383 30 10 IKEE Cc1c(OCc2ccc(C(=O)OC(C)C)cc2)ccc2c1O/C(=C\c1ccccc1)C2=O 1871414297 LJKKMIMLTAHEKI-IWIPYMOSSA-N 428.484 5.755 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4c(C)cccc4C(C)C)cc(C)c3C2=O)o1 1871422482 MQTZJLWBJXOWHO-FMCGGJTJSA-N 445.515 5.962 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(Cl)cc2F)ccc2c1O/C(=C\c1cccs1)C2=O 1871440232 DXWRMSWXTRAIPA-GRSHGNNSSA-N 443.883 5.483 30 10 IKEE CCCCCCCCN=c1nc(N2CCC[C@@H](C)C2)[nH]c(=NCCCCCCCC)[nH]1 1871468521 DDUQDPQTTNNXBW-JOCHJYFZSA-N 432.701 5.497 30 10 IKEE C=CCN=c1nc(Nc2ccc(Cl)cc2C)[nH]c(N2CCC(Cc3ccccc3)CC2)n1 1871568995 HPQJOACUYMEVDJ-UHFFFAOYSA-N 449.002 5.056 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 1872513331 OAOOFNFEBRUHOV-XMMPIXPASA-N 442.625 5.376 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NS(=O)(=O)c1cc(C)ccc1C)[C@@H](C)CC 1872612605 FSBQZFIQBYAQCY-REWPJTCUSA-N 438.678 5.253 30 10 IKEE COc1ccc(OC)c(-c2csc([C@H](C#N)C(=O)c3cccc(OCC(C)C)c3)n2)c1 1872771144 NAHXDJAYIITJRL-HXUWFJFHSA-N 436.533 5.352 30 10 IKEE COc1ccc(OC)c(-c2csc([C@@H](C#N)C(=O)c3cccc(Br)c3)n2)c1 1872771273 QLFZFRAGNCZYSS-INIZCTEOSA-N 443.322 5.080 30 10 IKEE CC(C)c1ccc(-c2csc([C@@H](C#N)C(=O)c3c(Cl)ccc(Cl)c3Cl)n2)cc1 1872776317 NLZXDLHQOFKDJO-AWEZNQCLSA-N 449.790 7.384 30 10 IKEE N#C[C@H](C(=O)/C=C/c1ccc(Cl)cc1Cl)c1nc(-c2ccc(F)c(F)c2)cs1 1872780021 XXEPXJFTAXAFCM-BOTMBNHJSA-N 435.282 6.285 30 10 IKEE COc1cc(-c2csc([C@@H](C#N)C(=O)CCOc3ccccc3)n2)c(OC)cc1Cl 1872782124 FDYUWICMYSLXSK-INIZCTEOSA-N 442.924 5.126 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(OCCCC)cc2)=C(c2ccccc2)C1=O 1873413547 IFDYKDIUOSTACX-UHFFFAOYSA-N 448.607 6.418 30 10 IKEE N#Cc1ccc(Nc2[nH]c(=NCCC3=CCCCC3)nc3c2cnn3-c2ccccc2)cc1 1873477464 OOZUKWXKZDLWNJ-UHFFFAOYSA-N 435.535 5.155 30 10 IKEE Cc1sc(C2=C(N)N(c3ccc(Cl)c(C(F)(F)F)c3)CC2=O)nc1-c1ccccc1 1873527865 VAMNOAQMJXYBQC-UHFFFAOYSA-N 449.885 5.507 30 10 IKEE Cc1c(CCC(=O)Nc2cccc(C#N)c2)c(=O)oc2c(C)c3oc4c(c3cc12)CCCC4 1873867335 NVUVPKRPRYPVHW-UHFFFAOYSA-N 440.499 5.478 30 10 IKEE CCCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1ccc(C)cc1 1874203228 QNELCNJTHUSJMZ-WGOQTCKBSA-N 436.625 6.156 30 10 IKEE Cc1ccccc1CSc1nnc(COc2c(C)cccc2C)n1/N=C/c1ccccn1 1874297765 SRYXONUDGLCWQP-JFLMPSFJSA-N 443.576 5.352 30 10 IKEE COc1ccc(CCc2nnc(SCc3cccc(C)c3)n2/N=C/c2ccccc2)cc1 1874306360 SLYOVJWXFTYFBL-OVVQPSECSA-N 442.588 5.555 30 10 IKEE CCCSc1nnc(CCc2cccc(OC)c2)n1/N=C/c1cccc2ccccc12 1874310534 ASKDZAJCCJLABQ-NLRVBDNBSA-N 430.577 5.609 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(CCc3cccs3)nnc2SCCc2ccccc2)c1 1874371423 YMMQPTNNEHBZCE-KOEQRZSOSA-N 448.617 5.356 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(COc3ccccc3)nnc2SCCC)cc1 1874385681 CEGDHZKNSDRFAN-XIEYBQDHSA-N 438.597 5.810 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2[C@H]2CCCO2)cc1 1874453374 ICGQRNQGZGXORK-TYLRVVQJSA-N 449.363 5.317 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3ccccc3F)nnc2C2CCCC2)cc1 1874455982 UTHHNBFSIPBCLZ-WGOQTCKBSA-N 438.572 6.038 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2ccc(C)cc2)nnc1C(F)(F)F 1874458711 BKRQSVRYZKTGOU-DHRITJCHSA-N 432.471 5.345 30 10 IKEE COc1ccc(OC)c(/C=N/n2c(CC(C)C)nnc2SCc2ccccc2Cl)c1 1874489880 PJIGMLUNSUZRQD-ZMOGYAJESA-N 444.988 5.322 30 10 IKEE Cc1ccsc1/C=N/n1c(CC(C)C)nnc1SCc1ccc(Cl)cc1Cl 1874492308 HXHJERDPGCODKV-LSHDLFTRSA-N 439.437 6.328 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccccc1C(=O)O 1874511373 VPPMQMLJNVSUSQ-FOKLQQMPSA-N 449.363 5.410 30 10 IKEE CC(C)(C)c1nnc(S)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 1874559317 KKSKVJRLYGQDQL-FOKLQQMPSA-N 435.380 5.632 30 10 IKEE Cc1ccccc1CCc1nnc(S)n1/N=C/c1cccc(OCc2ccc(F)cc2)c1 1874562354 QOKLUTCLWCJBQU-JVWAILMASA-N 446.551 5.261 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1Cl 1874612001 WFVBDKMUHQCSJJ-WEVVVXLNSA-N 435.898 5.542 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OCC(=O)Nc1ccc(F)cc1 1874612628 DZZCFCDYRAWYOI-WTDSWWLTSA-N 441.405 5.026 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OCC(=O)Nc1ccccc1F 1874612993 WNEYYKRLHPMQPL-UXBLZVDNSA-N 441.405 5.026 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3ccccc3)c(OC)c2)cc1 1874616826 UVLVMZGFAIRNLK-XNTDXEJSSA-N 432.516 5.968 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 1874625819 XUQLYLSVCISHGS-XCVCLJGOSA-N 431.290 6.616 30 10 IKEE CCCOc1c(Br)cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)cc1OC 1874636070 HVZAORUYUSEWQP-FNORWQNLSA-N 439.733 5.805 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2ccc(OCc3ccc(C)cc3)cc2)cc1Cl 1874637256 PVGLTSIKQRXMKL-FMIVXFBMSA-N 427.327 6.786 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OC(=O)c1c(F)cccc1Cl 1874703460 QQHUZIWFCSJFIY-PKNBQFBNSA-N 438.882 6.220 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)C3CCCC3)c2)cc1 1874708813 VXHPBZBORTXAHX-XMHGGMMESA-N 434.576 7.028 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)CCc3ccc(Cl)cc3)c2)c(C)c1 1874716147 DIFJLAXXZDWDBJ-UKTHLTGXSA-N 432.947 6.700 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cccc(F)c3)c2)cc1C 1874717668 IDXAJKKMTZDYRF-CSKARUKUSA-N 434.463 5.575 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)C3CCC(CCCC)CC3)cc2)cc1 1875105919 SEDBGIHLZAIEGO-PXLXIMEGSA-N 446.631 7.827 30 10 IKEE O=C(Cc1ccccc1F)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1Br 1875128064 LOMYCABXIWJBAY-ZRDIBKRKSA-N 439.280 5.632 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)c1cc2ccccc2n1C 1875128074 LVVXKJYYEKUBAY-BUHFOSPRSA-N 441.483 5.311 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c(OC)c2)cc1 1875130966 ACQKEEQZIIHFNR-NTUHNPAUSA-N 447.443 5.117 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1OC(=O)c1ccccc1C 1875136883 KVGKYXYXKICTEO-SDNWHVSQSA-N 445.471 5.726 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)COCc3ccccc3)cc2)cc1 1875148572 IDKKZQRGKCVQAJ-WOJGMQOQSA-N 428.528 6.002 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)c3ccccc3)c(Cl)c2)cc1F 1875152355 AUHNSZJUDOMPKM-YCABEKBOSA-N 438.882 6.093 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OC(=O)C1CCCC1 1875160372 MZDPXDUNDJMRBN-JLHYYAGUSA-N 436.548 5.993 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(N(C)C)cc3)cc2)c(C)c1C 1875167431 DXSLYFVBHFKTMI-LZYBPNLTSA-N 429.516 5.493 30 10 IKEE CCCC(=O)Oc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1Br 1875169002 DSGGZRVORUWGIF-CSKARUKUSA-N 429.354 6.284 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)CCCSC 1875170078 GZDPUZWEIDGQQV-ZRDIBKRKSA-N 440.605 6.264 30 10 IKEE CCCCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OC 1875176718 MRAWXLVSDJNNAM-PKNBQFBNSA-N 445.353 6.066 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccccc2)c([N+](=O)[O-])c1 1875184054 GOBOWWKLCXSTEA-SDNWHVSQSA-N 443.499 6.316 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3cnc(C)cn3)c(Cl)c2)cc1C 1875187440 BAVVVVCSBQLEHB-FNORWQNLSA-N 436.895 5.179 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@H](C#N)[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 1880391781 QASOVNWDKHFAOE-WOJBJXKFSA-N 443.588 5.351 30 10 IKEE O=C(Nc1ccc(C(F)(F)F)c(F)c1)c1cn(C2CC2)c2c(F)c(F)c(F)cc2c1=O 1891026788 LBNAEMZMTYEGBC-UHFFFAOYSA-N 444.306 5.164 30 10 IKEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1ccccc1COc1ccccc1 1891661062 XFQHBYVEPFSWLS-UHFFFAOYSA-N 439.433 5.097 30 10 IKEE CC(C)[C@@H](Cc1ccccc1Br)C(=O)N1CCC(C#N)(c2ccccc2)CC1 1892323017 GYKPLATUFSQAEY-OAQYLSRUSA-N 439.397 5.348 30 10 IKEE CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1938158449 XZQFJSZEOAGGOK-YJBOKZPZSA-N 437.968 5.525 30 10 IKEE CC[C@@H]1CC=C(C(=O)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)CC1 2010742151 GXCZTWWCZZBVHC-IBVKSMDESA-N 427.585 5.536 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)[C@H]1C(C)(C)C 2014558984 WKQMKTPHLSXDIL-VLIAUNLRSA-N 449.514 5.104 30 10 IKEE O=C[C@]1(C(F)(F)F)C[C@@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2024245342 XXLAVBQOXRSPAN-ZJSXRUAMSA-N 426.434 6.080 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)CC12CCC2 2038095634 FUYCDEHBPKQXPW-DEOSSOPVSA-N 445.535 5.393 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C1(CCNC(=O)OC(C)(C)C)CCCCC1 2044817699 BOEKLABRLIDMJQ-DEOSSOPVSA-N 444.660 5.993 30 10 IKEE COc1ccc(Oc2ccc(C=CC(=O)c3ccc(OC(F)F)cc3)cc2[N+](=O)[O-])cc1 2053589428 JHHUILZDTOABFS-UHFFFAOYSA-N 441.386 5.893 30 10 IKEE C=C[C@@]1(Oc2cc(Cl)c(Br)cc2N)CCCN(C(=O)OC(C)(C)C)C1 2078230291 HLVWGJBBGSTVEP-GOSISDBHSA-N 431.758 5.019 30 10 IKEE ON=Cc1c(C2CC2)nn([C@@H](c2ccc(C(F)(F)F)cc2F)C2CC2)c1Br 2079903858 OGZWJFAEYUFMOH-MRXNPFEDSA-N 446.242 5.488 30 10 IKEE CCCc1ccc([C@H](n2nc(C(F)F)c(C=NO)c2Br)C2(C)CC2)cc1 2079927822 WWHKVHMOMPEWOE-INIZCTEOSA-N 426.305 5.733 30 10 IKEE C#CCCCCC[C@@H](NCC)c1ccc(Br)cc1I 2142279600 SBCQKDFJWORFFF-MRXNPFEDSA-N 434.159 5.288 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)C1(C#N)CC2(C[C@H]3CC[C@H]2C3)C1 2156641773 PPHIGEHPFFOGKH-TUKZGULFSA-N 431.374 6.053 30 10 IKEE CO[C@H]1CC(F)(F)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2162034936 NSVYKPXSWFXMAZ-MAUKXSAKSA-N 445.304 5.287 30 10 IKEE CC1(C)OB(C2CCN(Cc3ccc(Cl)c(Br)c3F)CC2)OC1(C)C 2231062597 QDDWWJNRJLFNFA-UHFFFAOYSA-N 432.570 5.300 30 10 IKEE C=C(C)CCCC[C@@H](NCC)c1cc(Br)ccc1I 2271836924 MNFJRWLTERUXPO-MRXNPFEDSA-N 436.175 5.841 30 10 IKEE CN1C(=C2SC(=NCc3ccccc3)N(C3CCCCC3)C2=O)Sc2ccccc21 2295201969 VQFJVUYSBOEGII-UHFFFAOYSA-N 435.618 5.862 30 10 IKEE CCSC1=NC(=Cc2ccc(OCc3ccccc3)c(Br)c2)C(=O)S1 2295499439 RFEPLNLXGVKRFF-UHFFFAOYSA-N 434.380 5.752 30 10 IKEE CCc1ccc(NC(=O)OC(C)(C)C)c([C@@H](N)C#Cc2cccc(Br)c2)c1 2296215933 FTZVJCQFRCNLMS-IBGZPJMESA-N 429.358 5.410 30 10 IKEE CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)[C@H](O)C#Cc1cccc(Br)c1 2296225963 AOTLYMSNBHBLBH-WOJBJXKFSA-N 436.390 5.025 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3cc(OCc4ccccc4C)ccc3C1=O)cn2C 2296871213 DJOPIGKWMZNAFR-UHFFFAOYSA-N 425.484 5.691 30 10 IKEE O=C(C=Cc1ccccc1)c1ccc(-n2cc(-c3ccccc3)cc2-c2ccccc2)cc1 2296887267 GOYDATJWHOBNAF-UHFFFAOYSA-N 425.531 7.707 30 10 IKEE O=C(COc1ccc(Br)cc1)Nc1ccc(C=CC(=O)c2cccs2)cc1 2297358926 JTQGBWOINHISMD-UHFFFAOYSA-N 442.334 5.424 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(OC)c(OC)c2)SC1=Nc1cccc2ccccc12 2314457454 KZCJYRJVJYXURA-UHFFFAOYSA-N 430.529 5.647 30 10 IKEE C=CCOc1ccc(C=C2SC(=Nc3nccs3)N(C3CCCCC3)C2=O)cc1 2314542219 IBCRPDRTUOLZAN-UHFFFAOYSA-N 425.579 5.645 30 10 IKEE CC(C)(C)[C@H]1CCc2nc(SCC=Cc3ccccc3)c(C#N)c(C(F)(F)F)c2C1 2314836090 MREORCRZXXGOLC-KRWDZBQOSA-N 430.539 6.929 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccccc1OCC 2318571867 USVZOEJRTOMJCJ-UHFFFAOYSA-N 449.407 6.111 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2321305346 QCTGITFDTXSZAB-PMACEKPBSA-N 447.620 5.628 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2Cl)Oc2c1ccc1c2CN(Cc2cccs2)CO1 2321965174 MADOHMICSQAYPP-UHFFFAOYSA-N 444.339 6.023 30 10 IKEE COc1ccccc1CN1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(C)cc1)C3=O 2321993679 XNKLTCRVJACPAN-UHFFFAOYSA-N 427.500 5.280 30 10 IKEE Cc1ccc(OCc2nnc(S)n2N=Cc2ccc(OCc3ccccc3)cc2)c(C)c1 2322052019 HQDKUGZKJCVZKH-UHFFFAOYSA-N 444.560 5.224 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(F)c(C)c2)c1OCc1ccc(Cl)c(Cl)c1 2322638137 ZUYIVPUMARQIIG-UHFFFAOYSA-N 445.317 6.925 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)c1OCCc1ccccc1 2322687401 NFTIARYAMMMNJL-UHFFFAOYSA-N 448.990 7.164 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cc(Cl)ccc1OCc1ccccc1 2322775260 RBGPNTQZGKUKFS-UHFFFAOYSA-N 434.963 7.121 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccccc2OCc2ccc(Cl)cc2)c(OCC)c1 2322907763 WUKPHTBUNQZDGU-UHFFFAOYSA-N 436.935 6.613 30 10 IKEE COc1ccccc1OCC(=O)Oc1cc(C)c2c(c1)OC(=CC=Cc1ccccc1)C2=O 2323126403 LOTMAFAUUGFPMU-UHFFFAOYSA-N 442.467 5.160 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2cccc(OCc3ccc(Cl)cc3)c2)c1 2323260822 JHFBGFOGMVNTFD-UHFFFAOYSA-N 436.935 6.613 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 2323289280 WICBSMLWXMOVNP-UHFFFAOYSA-N 437.879 6.040 30 10 IKEE O=C(Cc1cc(Cl)ccc1Cl)Oc1ccc2c(c1)OC(=Cc1ccncc1)C2=O 2323403927 AFGXHCAFTDCXED-UHFFFAOYSA-N 426.255 5.153 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCc3cccc(Cl)c3)c(OCC)c2)cc1 2323554880 GYRVUTWXVJHTPS-UHFFFAOYSA-N 448.990 7.556 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc(-n5cccc5)cc4)c3C)C2=O)o1 2323676697 ZGSBNRYMOJYOFX-UHFFFAOYSA-N 425.440 5.523 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2C)C1=O 2323702130 ODMHETLYMQZPCT-UHFFFAOYSA-N 449.846 5.700 30 10 IKEE CCCNC(=O)COc1c(Cl)cc(C=CC(=O)c2ccc(C)cc2C)cc1OCC 2323858490 DNFYSWQBSANOIT-UHFFFAOYSA-N 429.944 5.157 30 10 IKEE Cc1cccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2F)C3=O)c1C 2324498920 DODBRTRDCOLPKJ-SFHVURJKSA-N 445.490 5.773 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(OCCOc4cccc(C)c4)c3C)C2=O)cc1 2324534971 VEZQMJSQOXOLHC-UHFFFAOYSA-N 430.500 5.776 30 10 IKEE CCCCCOc1ccc(C=Nn2cnnc2SCc2cccc(F)c2)cc1OCC 2325649303 NQEOGIOZWCTPSH-UHFFFAOYSA-N 442.560 5.559 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c(C)c3)c2)c1 2325714552 KMLYKPIUNDQHJR-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(F)cc2F)c1)c1ccc(Br)cc1 2325716648 XNVCMZNQPFCUIH-UHFFFAOYSA-N 443.243 5.843 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(Br)cc2)c1)c1cccc(Cl)c1 2325728889 ZOTRGDZKFOSKNZ-UHFFFAOYSA-N 441.708 6.218 30 10 IKEE O=C(Oc1cccc(C=CC(=O)c2cccc3ccccc23)c1)c1ccc(C(F)(F)F)cc1 2325750179 SELFOVZESDOAJM-UHFFFAOYSA-N 446.424 6.974 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)Cc3ccccc3F)c2)cc1C(C)C 2325753967 FWDPSTYVFHCKSQ-UHFFFAOYSA-N 446.518 6.310 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cccc(OC(=O)c2ccc(C)c(C)c2)c1 2325763501 KRJVLGUUWHZXMY-UHFFFAOYSA-N 434.919 6.389 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(C)cc3)c2)c(OC)c1OC 2325786255 CUUINJYSFCQQLS-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Br)c(O)c(Br)c2)c(C)c1C 2325795055 SIARMHFBJMFOJQ-UHFFFAOYSA-N 440.131 5.439 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1cccn1C 2325883347 VLEJFPCFOMEHDE-UHFFFAOYSA-N 445.592 5.332 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1cccc(O)c1 2325910021 LQJGBSFCSDOAET-UHFFFAOYSA-N 437.352 5.254 30 10 IKEE Cc1ccc(COc2ccccc2C=Nn2c(C)nnc2SCc2ccc(F)cc2)cc1 2326238030 MQXNMONNKJOCJG-UHFFFAOYSA-N 446.551 5.788 30 10 IKEE Cc1cccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccc(C)cc2C)c1 2326460541 QDALWEDFRZCMLB-UHFFFAOYSA-N 440.616 6.163 30 10 IKEE CCOc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2ccccc2)cc1 2328568319 XMCUWMGNOCQFNM-UHFFFAOYSA-N 442.588 5.485 30 10 IKEE Cc1ccc(C=Nn2c(CCc3ccccc3C)nnc2SCc2ccccc2F)cc1 2329488256 YPNMIQCOZCRQBC-UHFFFAOYSA-N 444.579 5.994 30 10 IKEE CCOc1cccc(C=Nn2c(COc3ccccc3)nnc2SCc2ccccc2)c1 2329918816 ACNJARUZFQVSBZ-UHFFFAOYSA-N 444.560 5.430 30 10 IKEE Oc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2-c2cccs2)cc1 2330600585 VAHAINPDKAXWFE-UHFFFAOYSA-N 426.954 5.540 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OC(=O)CC(C)C 2330821260 BEXIPMWSTRUSMC-UHFFFAOYSA-N 447.358 6.578 30 10 IKEE C=C(C)CSc1nnc(CC(C)(C)C)n1N=Cc1ccc(OCc2ccccc2C)cc1 2330840795 FJJWQGMLQBODEX-UHFFFAOYSA-N 448.636 6.305 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)cc3)c([N+](=O)[O-])c2)cc1C 2330865789 KTCYBIPHDWANQC-UHFFFAOYSA-N 445.471 5.264 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2ccc(C=CC(=O)c3ccccc3Cl)cc2)c1 2330910478 LOMUQDBFSOGIAF-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3ccc(C)cc3)c(OC)c2)cc1 2330953279 KVGSAHVGOHVVAS-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccc([N+](=O)[O-])cc1 2331018485 ZWKXANCUWVOAAV-UHFFFAOYSA-N 431.488 5.613 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)c1ccccc1OC 2331183199 ASJUCISIXKQCEC-UHFFFAOYSA-N 428.484 5.548 30 10 IKEE COCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1c(F)cccc1Cl 2331282403 QARMFZZRPKHUMM-UHFFFAOYSA-N 432.952 5.051 30 10 IKEE CCCOc1ccc(C=Nn2c(CCOC)nnc2SCc2cccc(Cl)c2)cc1 2331305878 HCUNJXVFYCVKTJ-UHFFFAOYSA-N 444.988 5.084 30 10 IKEE COc1cc(C=Nn2c(SCc3ccc(F)cc3)nnc2C(C)(C)C)cc(Cl)c1O 2331373198 LDMUJSMCNBEIFT-UHFFFAOYSA-N 448.951 5.257 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(SCc2ccc(Cl)cc2)nnc1C(C)(C)C 2331403744 CZPIGQNIGULXAK-UHFFFAOYSA-N 443.016 6.191 30 10 IKEE COc1cccc(C=Nn2c(CC(C)C)nnc2SCc2ccc(Cl)cc2Cl)c1 2331472494 YHYQSOBDOGTWJT-UHFFFAOYSA-N 449.407 5.967 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)C3CC3)c(OC)c2)cc1 2331545796 FXCJZBOHULOUAF-UHFFFAOYSA-N 436.548 6.256 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2ccc(C(C)(C)C)cc2)c1 2331682906 QNWDTHJNLRUNAQ-UHFFFAOYSA-N 449.624 5.620 30 10 IKEE CN[C@@H](C#CC1(SC)CCC1)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2336236849 ZXWIWWXNSHRWNB-INIZCTEOSA-N 439.419 5.346 30 10 IKEE CC1(C)OB(c2cc(Cl)cnc2Nc2cc(Cl)c(Cl)c(Cl)c2)OC1(C)C 2364846959 QLJBFNZARLXSSI-UHFFFAOYSA-N 433.959 5.738 30 10 IKEE C=C([C@H](NCCC)[C@H](O)c1sc(Cl)cc1I)C(C)(C)C 2366646999 BHIKOBOTZICQFE-STQMWFEESA-N 427.779 5.010 30 10 IKEE COc1ccc(COc2cc(NC(=O)OC(C)(C)C)ccc2Br)cc1C#N 2370449232 IOGYUFOIHVSMEM-UHFFFAOYSA-N 433.302 5.255 30 10 IKEE O=C(/C=C\N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(Cl)c(Cl)c1 33721528 USSVJJXWWABDLJ-SREVYHEPSA-N 429.269 5.531 30 10 IKEE N#Cc1cc(Cl)cc(Oc2cc(OCc3n[nH]c4nc(N)ccc34)cc(F)c2Cl)c1 34891791 JDKMJELQOXOOJD-UHFFFAOYSA-N 444.253 5.229 30 10 IKEE O=C1/C(=C\c2ccncc2)Oc2cc(OC(=O)N(c3ccccc3)c3ccccc3)ccc21 35044752 RCRYHULEPCAXRH-KOEQRZSOSA-N 434.451 6.035 30 10 IKEE CCOC(=O)C1=C(Nc2ccc(C)cc2)S/C(=C/c2ccc(Cl)c(Cl)c2)C1=O 35105553 DIVLXFWHENWOGG-GZTJUZNOSA-N 434.344 5.845 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)Nc3cccc(C(F)(F)F)c3)ccc21 38707374 FKSVXBVZKLBVQZ-UHFFFAOYSA-N 433.430 5.287 30 10 IKEE O=C1/C(=C/c2ccc3c(c2)OCO3)S/C(=N/c2cccnc2Cl)N1C1CCCCC1 39864163 GTQFJUIHFWDJRY-XOVMAZANSA-N 441.940 5.400 30 10 IKEE O=C1/C(=C/c2ccc3c(c2)OCO3)S/C(=N/c2ccncc2Cl)N1C1CCCCC1 39864641 ACJDRQVCUUTNQI-FUYBOGSOSA-N 441.940 5.400 30 10 IKEE C=CCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@@H]1c1ccc(Cl)c(Cl)c1 39913381 GDXDEEMOAWXHGP-SFHVURJKSA-N 434.706 5.793 30 10 IKEE COc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN([C@@H](C)c2ccccc2)C3)C1=O 41586949 OOAWKHMISLMDBA-SMNNTEATSA-N 427.500 5.533 30 10 IKEE Cc1ccc(CSc2nnc(N/N=C/c3ccc4ccc5cccc6ccc3c4c56)[nH]2)cc1 59310265 JVJAUUPNNGLYRA-RWPZCVJISA-N 447.567 6.749 30 10 IKEE O=C1/C(=C/c2c(F)cccc2Cl)S/C(=N/c2ccncc2Cl)N1c1ccccc1 101127749 UEQQMWDYSUYKRA-QVYSAPQISA-N 444.318 6.336 30 10 IKEE O=C1C(=O)N(Cc2ccccc2)[C@H](c2ccc(Br)cc2)/C1=C(/O)c1ccccc1 103222486 MTYHCNYORSVLJB-SADKCHQCSA-N 448.316 5.071 30 10 IKEE C#CCOc1c(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cccc1OC 103788644 CXYGEHAMSGVISH-WPWMEQJKSA-N 444.556 5.650 30 10 IKEE CCCCCCCN1C(=S)N(c2ccccc2)C(=O)[C@H]1CC(=O)Nc1ccc(F)cc1 104714232 ZLBPVXZNBAUAAM-OAQYLSRUSA-N 441.572 5.127 30 10 IKEE C=CCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)S/C1=N/c1ccccc1Cl 106283987 JCEBXAWGGAXYKR-AONURPCGSA-N 448.400 6.154 30 10 IKEE COc1cc(/C=N/Nc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1Cl 169878724 RSUGIELDGWCWDX-BRJLIKDPSA-N 435.738 6.680 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccc2OC)cc1 169941661 LTUFYBJHXGLMMA-XMMPIXPASA-N 427.500 5.349 30 10 IKEE CCOc1ccc(/C=N\Nc2nc(-c3ccc(OC)cc3)cs2)cc1Br 169942314 QXPNMDCBCZUUSC-NHDPSOOVSA-N 432.343 5.426 30 10 IKEE CCOc1c(OC)cc(/C=N\Nc2nc(-c3ccc(C)cc3C)cs2)cc1[N+](=O)[O-] 169943274 GIALFYVXWJHMBN-JJFYIABZSA-N 426.498 5.188 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(C)c(C)c2)=C(O)C(=O)N1c1cc(C)ccc1C 169943618 DHTXPVIMEXLIHC-RUZDIDTESA-N 441.527 5.712 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1cccs1 169988003 OFRWTHYGTSJCMX-OAQYLSRUSA-N 425.456 5.128 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@H]2c2ccccn2)c1 169992209 IWTQPHYSQZWSHD-DEOSSOPVSA-N 440.543 5.779 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@@H]2c2cccnc2)cc1 170008351 ITTFTGSUMARTIZ-XMMPIXPASA-N 436.467 5.026 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccncc2)cc1C 170026056 KDWXVGICUCGURA-OAQYLSRUSA-N 441.512 5.091 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2C2CCCCC2)c1 170039357 VJEZHRZPPHGCIN-QHCPKHFHSA-N 435.520 5.005 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2c[nH]c3ccccc23)c1 170074449 MUVMVLDLWWGNCF-XMMPIXPASA-N 440.474 5.707 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2cccc(C)c2)cc1 170141364 HAZKDVFDPUHTDW-XMMPIXPASA-N 443.499 5.272 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@@H]2c2cccs2)cc1C 170157058 YYEHFOUOHZFSMK-HSZRJFAPSA-N 447.556 5.801 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2cccs2)c(C)c1 170160584 OVSFLGWZVLXYDT-JOCHJYFZSA-N 428.513 5.629 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@H]1c1ccccn1 170175342 WQMHLDQMJPDBJE-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2)cc1 170230458 DBDQCRWPPGNZNP-HSZRJFAPSA-N 431.488 5.093 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@H]1c1ccc(Cl)cc1 170236220 GYKCOEXNAPQQBD-OAQYLSRUSA-N 425.912 5.043 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1ccc(CC)cc1 170268188 FRUUAVVRPKVLRX-DEOSSOPVSA-N 435.564 5.805 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@H]1c1ccc(CC)cc1 170268443 PKFXOSHKMAWQMI-JOCHJYFZSA-N 425.500 5.165 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCO3)=C(O)C(=O)N1Cc1cccs1 170270001 YSBDHLZCRTXLOE-HSZRJFAPSA-N 445.540 5.160 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccco2)c1 170282559 UDUWQYQFUUXVHO-HSZRJFAPSA-N 431.488 5.468 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1c(C)[nH]c2ccccc12 170312199 AYVCTGNUDZOQQX-DEOSSOPVSA-N 428.532 5.343 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 170328732 XYDDMDUWYLWPDH-FQEVSTJZSA-N 439.920 5.501 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2cc(Cl)cc(Cl)c2)c1 170388640 VXEVWIBYPLBWFZ-HXUWFJFHSA-N 439.298 5.480 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2nc3c(F)cc(F)cc3s2)[C@H]1c1cccs1 170477217 RLZLKZJJZYDMNT-KRWDZBQOSA-N 434.489 5.151 30 10 IKEE Cc1ccc(N=C2S/C(=C\c3sccc3C)C(=O)N2c2ccc(C)c(C)c2)cc1C 252602449 FIJWMXCSVRBIGI-WPCCGSCNSA-N 432.614 7.099 30 10 IKEE Cc1ccc2oc(-c3cccc(N=Cc4ccc(OC(=O)c5ccco5)cc4)c3C)nc2c1 252618641 LJEOQQZUIRIEJU-UHFFFAOYSA-N 436.467 6.674 30 10 IKEE Oc1ccc(Br)cc1C=Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1 252634616 WPFBBTWDGNTPRR-UHFFFAOYSA-N 427.685 6.367 30 10 IKEE C=CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccc2ccccc2c1 253575993 VGZTWSBALFENMJ-UHFFFAOYSA-N 434.952 5.669 30 10 IKEE COc1ccc(C=Nn2c(S)nnc2C(F)F)cc1COc1ccc2ccccc2c1 254378147 DFAUTIDWMLWHAC-UHFFFAOYSA-N 440.475 5.127 30 10 IKEE Cc1cccc(N=C2S/C(=C3/C(=O)Nc4ccccc43)C(=O)N2c2cccc(C)c2)c1 254379131 SQTBLSXUCCSCNY-SNWRPHOWSA-N 425.513 5.434 30 10 IKEE CCOc1cc(C=NNc2nc3ccccc3s2)ccc1OCc1ccccc1C#N 254406630 DYPXCFODRQPUQN-UHFFFAOYSA-N 428.517 5.592 30 10 IKEE Oc1ccccc1C=Nc1ccc2nc(SCc3cc(Cl)ccc3Cl)sc2c1 254440593 BNKCJKLWEPYFTA-UHFFFAOYSA-N 445.396 7.352 30 10 IKEE C=C(CC[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)C(C)C 257620563 XHFAXVFEJWTPSR-COTULDOOSA-N 446.672 5.067 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(F)cc(Br)c1)NCCC 407501416 LFPGTMYHYFTQQI-OALUTQOASA-N 443.401 5.358 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(OC(C)C)cc2)c1 526607545 XTQNRQSPKACRMZ-VWLOTQADSA-N 440.499 5.411 30 10 IKEE Cc1ccc(SC2=C(Nc3ccccc3C)C(=O)N(c3ccccc3C#N)C2=O)cc1 526663809 YPJAGMGOVYGSJC-UHFFFAOYSA-N 425.513 5.164 30 10 IKEE CCCOc1ccc(/C=N\n2cnnc2SCc2ccc(Cl)cc2)cc1OCC 526806298 CMGRHTQHMPPRLI-CFRMEGHHSA-N 430.961 5.294 30 10 IKEE CCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1cc(Br)ccc1O 526810805 NGDPZIBGQUZXPX-JJFYIABZSA-N 445.386 5.100 30 10 IKEE CCCCOc1ccc(/C=N\n2cnnc2SCc2cc(C)ccc2C)cc1OCC 526818526 NKJBBPLXRBZYMI-YSMPRRRNSA-N 438.597 5.647 30 10 IKEE CCCCOc1cccc(/C=N\n2c(C)nnc2SCc2ccc(Cl)cc2Cl)c1 526822995 BVABFWFDAFSUIP-CFRMEGHHSA-N 449.407 6.247 30 10 IKEE O=[N+]([O-])c1cccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2cccc(F)c2)c1 526825860 MLFSPUIBEXWSGN-MYYYXRDXSA-N 447.495 5.091 30 10 IKEE N#Cc1ccc(CN(c2ccc(Oc3ccccc3)cc2)S(=O)(=O)c2cccs2)cc1 586223930 SDCDFTVCDRCXAI-UHFFFAOYSA-N 446.553 5.808 30 10 IKEE C=CCNC(=O)c1cccc(NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 586696106 LXVUBJXDLUNRBW-UHFFFAOYSA-N 431.336 5.284 30 10 IKEE C=C(CCC=C(C)C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]3CC[C@]12C 642772322 WZAMDSBJONFHAO-YCPQKJQOSA-N 426.729 8.335 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 698427683 JTMJSMQRIWZERZ-YADARESESA-N 445.560 5.118 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@H](C#N)c1cccc(F)c1Br 698875030 PGTWOZKWCRBBNL-HNNXBMFYSA-N 425.323 5.652 30 10 IKEE CC(C)(C)OC(=O)N(C[C@H]1CCCO1)[C@H](C#N)c1cccc(Cl)c1Br 719726065 MQHVARLVXZTANZ-IUODEOHRSA-N 429.742 5.083 30 10 IKEE CCCCCCCN1C(=O)C[C@H](C(=O)Nc2ccc(F)cc2)SC1=Nc1ccccc1 725419692 LCVNENOKFIBKDE-OAQYLSRUSA-N 441.572 5.756 30 10 IKEE CCCc1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2cc(O)ccc2C)cc1 797799180 JPVNNUKFUWAJGO-UHFFFAOYSA-O 430.553 5.136 30 10 IKEE CN(CN1C(=O)C(=Nc2ccc(Br)cc2)c2ccccc21)C1CCCCC1 1083904058 WNIOEZUPGLEGHO-UHFFFAOYSA-N 426.358 5.139 30 10 IKEE CCOc1cc(C=NNCc2ccccc2OC)cc(Cl)c1OCc1cccc(C#N)c1 1084072573 BXZYUUWGCDUOMS-UHFFFAOYSA-N 449.938 5.322 30 10 IKEE C=C(C)[C@@H]1CC[C@]2(C)CC[C@@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@@H]12 1565535518 MQYXUWHLBZFQQO-XQHKLLAASA-N 426.729 8.025 30 10 IKEE C[C@]12CC[C@@H]3[C@H](CCC4=C/C(=N/Nc5cccc(Cl)c5Cl)CC[C@@]43C)[C@H]1CCC2=O 1614360625 HESAJDXBMHQLJH-JWEOTJSXSA-N 445.434 7.293 30 10 IKEE Cc1ccc(-n2c(C)cc3c2CC(C)(C)CC3=NOC(=O)/C=C\c2ccccc2)cc1C 1772728566 QLCSDOKAYFSWCI-KQDXVRQUSA-N 426.560 6.336 30 10 IKEE C=CCN(CC=C)C(=O)Oc1cccc2c(NC(=O)/C=C/c3cccc(OC)c3)cccc12 1858951436 IIDQYIWJPALHHG-FOCLMDBBSA-N 442.515 5.673 30 10 IKEE CCOC(=O)c1sc(NC(=O)c2c3c(nc4c(C)cccc24)CCCC3)c(C#N)c1C 1859643667 QTINSTCXXOWLGN-UHFFFAOYSA-N 433.533 5.093 30 10 IKEE CC(C)Oc1ccc(C(=O)Nc2ccc(Cl)c(NC(=O)c3cccc(C#N)c3)c2)cc1 1860457210 ONBOGOQAGAPKDP-UHFFFAOYSA-N 433.895 5.503 30 10 IKEE Fc1cc(Br)ccc1/C=N/NC(=S)NC(c1ccccc1)c1ccccc1 1860501244 USAWZLDNBPHPIK-ZVHZXABRSA-N 442.357 5.176 30 10 IKEE O=C(/C=C/c1ccc(F)c(Br)c1)C(=O)Nc1ccccc1Oc1ccccc1 1860725944 CPCKHAMUFODLFD-ACCUITESSA-N 440.268 5.602 30 10 IKEE CC[C@H](Sc1nc(O)c(C#N)c(-c2ccccc2Cl)n1)C(=O)OC1CCCCC1 1860827705 ZTVGSFHKHUCLQH-KRWDZBQOSA-N 431.945 5.121 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](C)NC(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1 1861422719 YQJVQAVCDQCDNX-HXUWFJFHSA-N 448.611 5.605 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)CCCOc1ccc(OC)cc1 1861719809 DPMCULYUVBERJW-AREMUKBSSA-N 448.648 5.396 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccccc2)cc1 1862387041 BKSRWRJZFZDZBO-VWLOTQADSA-N 443.518 5.947 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@@H]2c2ccc(Cl)cc2Cl)cc1 1862394166 JPUBXENPTJISAB-HXUWFJFHSA-N 432.347 5.934 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 1862398907 YOFJKHKSNJKXJR-UZUQRXQVSA-N 449.547 5.193 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1c(Cl)cccc1Cl 1862416424 OHWRXAUCBSIJIZ-XTZNXHDOSA-N 440.273 5.648 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862451675 LFFZZGQMOAZRBL-ZMZPIMSZSA-N 438.738 6.024 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCc2ccc(C)cc2)cc1 1862476159 DEIWMFBWTCXNMZ-VWLOTQADSA-N 441.527 5.133 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2cccc(Cl)c2)cc1 1862476543 LUMLYYDLIWDNFH-GAJHUEQPSA-N 431.919 5.988 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2ccc(F)cc2F)cc1 1862476718 DKIKSHVYVDWZAD-OAQYLSRUSA-N 439.483 5.156 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2cc(Cl)cc(Cl)c2)cc1 1862521238 CNQMUDJNGDUKGB-FQEVSTJZSA-N 446.330 5.523 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2cccc(O)c2)cc1 1862533320 LLRUAFRKUNYKKH-DEOSSOPVSA-N 427.500 5.042 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@H]1c1ccc(F)cc1F)c1cccc(O)c1 1862594197 BTFBCZUVKTXVMS-QFIPXVFZSA-N 439.458 5.139 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1c(Cl)cccc1Cl 1862657808 JQZWWDUAOGHFRZ-NRFANRHFSA-N 438.310 5.911 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862676747 QFNUENGMHKOXSN-QHCPKHFHSA-N 437.511 5.526 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2ccccc2Cl)c1 1862701252 ZFRMWZRQMNPTOU-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1cccc(Cl)c1)c1ccc2ccccc2c1 1862712056 ITMGUNLMTZQLLI-FYYLOGMGSA-N 447.918 5.251 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(C)cc3)C2=O)cc1 1863269416 DAYLAHJHEMCLPM-IBGZPJMESA-N 435.527 5.382 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(Nc2ccccc2C#N)=C(c2ccccc2Cl)C1=O 1863452885 XURRPQBTPPQMMH-INIZCTEOSA-N 427.891 5.165 30 10 IKEE CCCCCCCCCCNC1=C(c2cccc3ccccc23)C(=O)N(CCN(C)C)C1=O 1863578082 XICDDWZYAAKYNE-UHFFFAOYSA-N 449.639 5.212 30 10 IKEE CC[C@@](C)(NC(=O)C[C@H](c1ccc(Cl)cc1)C(C)C)C(=O)Nc1ccccc1C#N 1866754389 HXZBQCKJWMFZHT-GBXCKJPGSA-N 425.960 5.265 30 10 IKEE CCCc1nc(Nc2ccc(C#N)cc2)cc(N2CCO[C@@H](c3cccc(Cl)c3)C2)n1 1868400692 AJGUHUUXFFMBHJ-OAQYLSRUSA-N 433.943 5.276 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2F)c(=O)cc1CN(C)CCCC 1870342428 UMRJZOIRTWRURO-UHFFFAOYSA-N 430.608 6.159 30 10 IKEE C=CCOc1cn(C[C@H](c2ccccc2)N2CCCC2)c(CNc2cccc(F)c2)cc1=O 1870811706 FSYACYUWRYYVIK-RUZDIDTESA-N 447.554 5.001 30 10 IKEE CCCCCCCOc1cn(CCCCC)c(CNc2ccc(Cl)cc2C)cc1=O 1870837457 HCKJQQNAXGFBSX-UHFFFAOYSA-N 433.036 6.962 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)c1 1871389050 HOWJWRSALBYBQO-XKZIYDEJSA-N 448.858 5.491 30 10 IKEE O=C1/C(=C/c2ccccc2)Oc2c1ccc(O)c2CN(Cc1ccccc1)Cc1ccccc1 1871396347 BAOLXSOZFKNHDT-VEILYXNESA-N 447.534 6.211 30 10 IKEE CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(C)cc1)C2=O 1871403103 RLNUZUWYQWWFMG-SDPDQUOZSA-N 443.499 5.416 30 10 IKEE CCOC(COc1ccc2c(c1C)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O)OCC 1871415987 FMOSDWBMAYCDJV-ODLFYWEKSA-N 437.319 5.696 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCc4ccc(C(=O)OC(C)C)o4)cc(C)c3C2=O)c1 1871438987 BOWITTSSUUPMFV-FMCGGJTJSA-N 448.471 5.357 30 10 IKEE CCCCc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccco2)C3=O)cc1 1871455039 IQDZSLZSXJMCLG-UCQKPKSFSA-N 431.488 5.564 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1871754905 IKDJTXJSCZZEIZ-XMMPIXPASA-N 442.625 5.232 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cccc(Cl)c1)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872223914 BVIYIUYSUZARKJ-JOCHJYFZSA-N 449.016 5.187 30 10 IKEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)c(C)c1 1872498919 FQBKWTYJCFHJJT-QFIPXVFZSA-N 449.016 5.249 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccc(Cl)cc3)n2)cc1OC 1872761180 HYSQRYSPWBOVKL-DYVFJYSZSA-N 442.924 5.124 30 10 IKEE CCc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccc4ccccc4c3)n2)cc1 1872761794 WDWNSQHQEMNLKO-DEOSSOPVSA-N 440.568 6.561 30 10 IKEE CC(C)c1ccc(O[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 1872773512 PFKVWHRMDFMYEG-KXBFYZLASA-N 434.517 5.306 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3Br)n2)c(C)c1C 1872778934 XSWPECJNDAUSCD-MRXNPFEDSA-N 441.350 5.688 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(C)c(C)c3)n2)cc1Cl 1872784927 AIQNBYVMLAZAEZ-QGZVFWFLSA-N 426.925 5.344 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@H](C#N)C(=O)CCc2ccc(Cl)cc2)n1 1872786311 HJEDTIDNCBNQSR-QGZVFWFLSA-N 445.371 6.243 30 10 IKEE N#C[C@H](C(=O)COc1cc(Cl)ccc1Cl)c1nc(-c2ccc(Cl)s2)cs1 1872789655 PZTAXYRQGBTCRH-SNVBAGLBSA-N 443.764 6.087 30 10 IKEE N#Cc1cccc(NC(=O)c2ccc(CN(Cc3ccccc3)Cc3ccccc3)cc2)c1 1872885222 QCFWCBBJRKITMO-UHFFFAOYSA-N 431.539 6.013 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(OCCC)c2)=C(c2ccccc2)C1=O 1873415689 XPVNPQIXLFABMZ-UHFFFAOYSA-N 434.580 6.028 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2Cl)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422965 YNNIWFYOBOWRTD-UHFFFAOYSA-N 431.923 5.126 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCC)n1/N=C/c1ccc(C(C)C)cc1 1874226934 LDKIDDUROKHESL-PCLIKHOPSA-N 436.581 5.540 30 10 IKEE C=CCSc1nnc(COc2cccc(C)c2C)n1/N=C/c1ccc(Cl)cc1Cl 1874324618 JSGRRBOJGMADSZ-WYMPLXKRSA-N 447.391 5.941 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2ccccc2)cc1 1874348839 GJMJIDSVJWGVDD-YZSQISJMSA-N 428.561 5.360 30 10 IKEE Cc1ccc(CSc2nnc(COCc3ccccc3)n2/N=C/c2cccc(F)c2)cc1 1874352417 JDJNCDCHZWPCNL-JFLMPSFJSA-N 446.551 5.617 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2cccc(F)c2)cc1C 1874358530 MMALTNURWKURAL-JVWAILMASA-N 430.552 5.799 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc[nH]1 1874369799 RQXIOPCRSCQNTH-OPEKNORGSA-N 446.338 5.894 30 10 IKEE Cc1cccc(CSc2nnc([C@@H](C)c3ccccc3)n2/N=C/c2ccccc2C)c1 1874394022 DXNNQSQYKSIVRW-XLKFHUSGSA-N 426.589 6.221 30 10 IKEE C=CCSc1nnc(-c2ccccc2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874429055 OKNFIBRNRVQEKI-NLRVBDNBSA-N 426.545 5.684 30 10 IKEE COc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SC)c1OCc1cccc(C)c1 1874435471 ITIOVZOCFMRVBQ-MFKUBSTISA-N 438.597 5.367 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2-c2ccco2)cc1 1874467448 JPMXXIAMIJOOKO-FOKLQQMPSA-N 445.331 5.725 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1/N=C/c1ccc(CC)cc1 1874475032 FZDFYPXHGBETPB-WGOQTCKBSA-N 449.624 5.413 30 10 IKEE Cn1cc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C(C)(C)C)c2ccccc21 1874485184 IMKBSRJMIFZPLK-DHRITJCHSA-N 438.000 5.895 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc(Cl)c2)n1/N=C/c1c(F)cccc1Cl 1874485985 WCZIWGGTMMVYDO-BHGWPJFGSA-N 437.371 6.196 30 10 IKEE Cc1cccc(CSc2nnc(C3CCC3)n2/N=C/c2ccc(Cl)cc2Cl)c1 1874494166 SPNOQGZWZSQHFR-WYMPLXKRSA-N 431.392 6.335 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CCC2)cc1 1874495922 LSKIUQWMUWKDIH-AFUMVMLFSA-N 425.001 6.497 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1/N=C/c1ccc(C(C)C)cc1 1874509604 LKEQHRUIFBFCDB-CVKSISIWSA-N 449.624 5.584 30 10 IKEE Sc1nnc(C2CCCC2)n1/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 1874560393 VTMNUCYOEQTMEC-WYMPLXKRSA-N 447.391 5.992 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc3c(c2)OCO3)c1OCc1cccc(F)c1 1874582877 LIFWUSVDPQWDHJ-FNORWQNLSA-N 440.854 5.692 30 10 IKEE COc1c(Br)cc(Br)cc1/C=C/C(=O)c1ccc(F)c(F)c1 1874584738 DIDNVUOCLSOIJR-HWKANZROSA-N 432.058 5.395 30 10 IKEE CCN(CC)C(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1c(C)c(C)cc(C)c1C 1874587087 UOFYIMICZCFXQL-PKNBQFBNSA-N 427.972 5.717 30 10 IKEE CCc1ccc(NC(=O)COc2ccccc2/C=C/C(=O)c2c(C)cc(C)cc2C)cc1 1874590159 VVUQVPNFNADPJW-NTCAYCPXSA-N 427.544 6.088 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OCC(=O)Nc1ccc(C)c(C)c1 1874596335 SPTXPTZNUMUCQY-FMIVXFBMSA-N 443.543 5.842 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1C(C)C 1874598370 JFWPLDHPXAODAK-JLHYYAGUSA-N 445.515 6.510 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OCC(=O)NCc3ccco3)c2)cc1C(C)C 1874598375 JKLUGBVDOKKGHO-ZHACJKMWSA-N 447.531 5.311 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OCC(=O)Nc1cccc(C)c1 1874618100 KEZNVVPTKVFQGQ-ACCUITESSA-N 443.543 5.924 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(OC)c1OCc1ccc(C)cc1 1874620168 MHRIOKCFDSKCIM-SDNWHVSQSA-N 430.519 6.655 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OCc1ccccc1C 1874622091 LPXOFEIHXXXLJJ-XNTDXEJSSA-N 448.990 7.430 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OCc1cccc(F)c1 1874638234 PDZLGFSVFILTMD-UXBLZVDNSA-N 445.317 7.006 30 10 IKEE Cc1ccc(C)c(OCC(=O)Oc2cccc(/C=C/C(=O)c3cccc(Cl)c3)c2)c1C 1874699062 BMXLYZXHSYXHKG-OUKQBFOZSA-N 434.919 6.146 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cccc(OC(=O)Cc2cccs2)c1 1874715395 RHGPPFBVMLSWLJ-CMDGGOBGSA-N 426.921 5.763 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(Cl)c3)c(Cl)c2)cc1 1875099952 GYTUUIDBTPOBJQ-XYOKQWHBSA-N 425.311 6.671 30 10 IKEE O=C(Cc1ccc(F)cc1F)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1 1875104221 MBWKYZZGCMCQDS-XCVCLJGOSA-N 447.264 6.316 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2Cl)cc(OC)c1OC(=O)[C@H]1CCCO1 1875110709 YQDJKDHGGTYPSJ-RJRNSMGGSA-N 426.896 5.058 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC)c(OC)c2)cc1OCCC 1875123644 WUTNVJKGAGRPGC-DHZHZOJOSA-N 426.509 5.484 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OC(=O)c1sccc1C 1875126755 BJJAKEOPAOMJLT-MDZDMXLPSA-N 426.921 6.224 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)cc2)c(Br)c1)c1ccccc1 1875127883 CULPDDNUOKHBJA-WUXMJOGZSA-N 425.253 5.704 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)c(C)c3)cc2)cc1 1875136305 ISNHTRMUTZQPBM-CXUHLZMHSA-N 428.528 6.136 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)c3ccccc3)c([N+](=O)[O-])c2)ccc1F 1875142080 KLVMGNJPHJVKAC-UEICXMAYSA-N 433.435 5.648 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)CC(C)C)c(Cl)c1 1875167464 AQOLNLSVYXUMCA-GQCTYLIASA-N 441.738 6.503 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1cc(C)cc(C)c1 1875184947 YNAOZCYLMVHTPO-VQHVLOKHSA-N 428.528 6.353 30 10 IKEE CCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1OC 1875185847 RLPVXWUMLMPRON-AATRIKPKSA-N 443.710 5.876 30 10 IKEE C=C(Br)CCSc1cc(I)ccc1Br 1887827861 LQNQANLVGJSUIC-UHFFFAOYSA-N 447.961 5.445 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)C1(N(C)C(=O)OC(C)(C)C)CCCCC1 1922081733 ZTLQPPVIHUCSOL-HSZRJFAPSA-N 430.633 5.697 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)CC12CCC2 1934505257 QGKRSCUGIMSQOH-VWLOTQADSA-N 441.572 5.250 30 10 IKEE CC[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)CN1Cc1ccccc1 1942589117 HWKHDJKMSSVCJO-BKMJKUGQSA-N 425.617 5.893 30 10 IKEE C[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)CCN1Cc1ccccc1 1949366816 NABPFSPYKXXWDQ-KBMIEXCESA-N 439.987 6.028 30 10 IKEE C[C@@H]1CC[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)[C@H](OCc2ccccc2)C1 1953269986 RXGJZCWWOWCCQX-GNMGOMLTSA-N 434.580 6.091 30 10 IKEE CCC#CC[C@@H](NCCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2005883711 PIUWHFZWFZEWHQ-ZEQKJWHPSA-N 428.617 5.002 30 10 IKEE CC[C@@H]1CC=C(C(=O)C2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)CC1 2010739149 PERSXMDPEHLHBN-HXUWFJFHSA-N 426.601 5.252 30 10 IKEE C=CCCCCCC[C@H](N)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2026000764 APYGDLWPLZVMDL-OZXSUGGESA-N 430.633 5.684 30 10 IKEE CSc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)s1 2032265661 DSKAQHJAJDZKFV-AWEZNQCLSA-N 439.400 6.239 30 10 IKEE COc1cc(-c2nc3ccccc3n2CC#N)ccc1OCc1ccc(Cl)c(Cl)c1 2060405941 RMJLFSQULGLSIL-UHFFFAOYSA-N 438.314 6.121 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)[C@H]1C1CC1 2067982002 ZBSDMGSVGSJPFS-NTKDMRAZSA-N 445.535 5.249 30 10 IKEE C=C(F)C[C@H](NCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071344427 CBQUDCDEMQOLPT-IGKIAQTJSA-N 435.539 5.729 30 10 IKEE CCCc1ccc([C@H](n2nc(C(F)F)c(C=NO)c2Br)C(C)(C)C)cc1 2079928838 LZLWQELCWXRWRX-INIZCTEOSA-N 428.321 5.979 30 10 IKEE Oc1cc(-c2ccc(C(F)(F)F)c(F)c2)nc2c(Br)c(C(F)(F)F)nn12 2080882156 IBQBJFCLPOXVJV-UHFFFAOYSA-N 444.104 5.041 30 10 IKEE C=CCCCCCC[C@@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 2085841766 KMUPPIYXEQPZGC-LOSJGSFVSA-N 446.676 6.381 30 10 IKEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNc2ccc(C#N)cc2Br)cc1 2162317486 BXFQLCCHFZBYSW-CQSZACIVSA-N 430.346 5.519 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@H]2Nc1cc(Br)cc(C#N)c1 2162413125 HYKBDUAZSSNJGV-LJQANCHMSA-N 428.330 5.767 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@H](Nc3cc(Br)ccc3C#N)C[C@H]21 2166985133 SJFHYUVKGVYQBY-DKSSEZFCSA-N 434.378 5.301 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)C1(C(F)(F)F)CCCC1 2177880264 PPFTXKQVCWSNLW-OAHLLOKOSA-N 447.295 6.205 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)CC(C)(C)N(C)C(=O)OC(C)(C)C 2235717389 JJQJCKXQEHHITF-GOSISDBHSA-N 437.422 5.204 30 10 IKEE C[C@H](c1ccc(NC(=O)OC(C)(C)C)cc1)[C@H](N)C#Cc1ccccc1Br 2235745469 CROHXMRHRZWNGQ-FOIQADDNSA-N 429.358 5.279 30 10 IKEE C=CC[C@@]1(COc2cc(N)cc(Br)c2)CCCN(C(=O)OC(C)(C)C)C1 2272243249 RFXIYAFXFHIEGI-HXUWFJFHSA-N 425.367 5.004 30 10 IKEE CC(C)c1cc(Br)cc([C@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)c1 2280731909 RTAHOQPDTMITCL-IBGZPJMESA-N 449.414 6.636 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCCC)c2ccc(Br)c(OC)c2)C1 2281496642 LGEMRJQDVQKHJR-SFHVURJKSA-N 439.394 5.112 30 10 IKEE O[C@@H](C#Cc1ccc(Br)cc1)c1c(Cl)cc(Br)cc1Cl 2296228998 FPLLAPOEQQUTNJ-AWEZNQCLSA-N 434.942 5.604 30 10 IKEE CN[C@@H](C#Cc1cccc(Br)c1)CCC[C@H](NC(=O)OC(C)(C)C)C(C)C 2296278543 FRMQKBFRWJHVTA-UXHICEINSA-N 437.422 5.108 30 10 IKEE CCn1cc(C=C2Oc3cc(OCc4ccccc4OC)ccc3C2=O)c2ccccc21 2296871781 DYAJMHFFXWIEHA-UHFFFAOYSA-N 425.484 5.865 30 10 IKEE CCOc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 2296939511 NXOUPXDCLRTMHD-VWLOTQADSA-N 443.474 5.407 30 10 IKEE Cc1cccc(N=C2SC(=Cc3ccc(Cl)cc3Cl)C(=O)N2C2CCCCC2)n1 2314539782 AOBZRLPHSNRYTD-UHFFFAOYSA-N 446.403 6.634 30 10 IKEE Cc1csc(N=C2SC(=Cc3ccccc3[N+](=O)[O-])C(=O)N2C2CCCCC2)n1 2314543592 ICCMGDRGFDSVSE-UHFFFAOYSA-N 428.539 5.296 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1cccc(OCC(C)C)c1 2318571522 MKKGSNAFUYOEIJ-UHFFFAOYSA-N 447.608 5.702 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1N=Cc1ccco1 2321370550 KDWZKUUAJCYDJK-UHFFFAOYSA-N 437.352 5.350 30 10 IKEE CCCCCCCCCCN1COc2ccc3c(c2C1)OC(=Cc1cccc(F)c1)C3=O 2322131481 LBKKRTNSRQOTKU-UHFFFAOYSA-N 437.555 6.735 30 10 IKEE CCN(CC)CCN1COc2ccc3c(c2C1)OC(=Cc1ccc(Cl)c(Cl)c1)C3=O 2322170567 QOSNGZWZACOAIO-UHFFFAOYSA-N 447.362 5.103 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(Cl)c(Cl)c1)C3=O)CN(C[C@H]1CCCO1)CO2 2322307672 GOBJWNWMJTUJDD-MRXNPFEDSA-N 446.330 5.249 30 10 IKEE O=C(C=Cc1cc(Br)ccc1OCc1ccccc1)c1ccccc1Cl 2322433364 IHFBFBUWIDOMQO-UHFFFAOYSA-N 427.725 6.578 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Br)ccc2OCc2ccccc2F)cc1 2322443061 ZBHMFTDHRZOBOZ-UHFFFAOYSA-N 441.296 6.072 30 10 IKEE CCc1ccc(NC(=O)COc2ccccc2C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1 2322836670 KMFMSDPYZSKAIG-UHFFFAOYSA-N 441.571 6.396 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2cccc(C=CC(=O)c3cccc4ccccc34)c2)c1 2323203166 AODAZRZMBCMLKB-UHFFFAOYSA-N 435.523 6.370 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)OC)c2)cc1 2323222964 MHSMEVCAGTZQEK-UHFFFAOYSA-N 440.536 5.492 30 10 IKEE CCCOc1ccccc1C=CC(=O)Oc1ccc2c(c1)OC(=Cc1ccccc1C)C2=O 2323341335 PZVLGZBBINDAMG-UHFFFAOYSA-N 440.495 6.019 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCc3cccc4ccccc34)c(OC)c2)cc1 2323842637 FQDOKJOFFHQXRB-UHFFFAOYSA-N 438.523 6.722 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(CC)cc2)C3=O)cc1 2323865063 CHLYQUZYTCZLPT-UHFFFAOYSA-N 426.468 5.649 30 10 IKEE CCCOc1c(Cl)cc(C=NNc2nc(-c3ccc(C)cc3)cs2)cc1OCC 2323865538 PZJXZILMEVYETE-UHFFFAOYSA-N 429.973 6.405 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OCc1ccc(C)cc1 2323865845 JYUXRQVQFSMWHX-UHFFFAOYSA-N 426.556 6.824 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OCc1cccc(Cl)c1 2323943657 VWMDQOUNKDPAPG-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE Cc1cc(O)c(CN2C[C@@H](C)C[C@H](C)C2)c2c1C(=O)C(=Cc1c(Cl)cccc1Cl)O2 2324055251 YEJBOWMVRDWRGL-KBPBESRZSA-N 446.374 6.102 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OCCCO)c(Br)c1 2324220860 XVFDCKWVZNQAJT-UHFFFAOYSA-N 447.369 5.413 30 10 IKEE C[C@H](Oc1ccc2c(c1)OC(=Cc1cccc(Cl)c1)C2=O)C(=O)Nc1ccc(F)cc1 2324306792 VXJMLEQGQYZNBT-AWEZNQCLSA-N 437.854 5.501 30 10 IKEE Cc1ccccc1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccccc1F)C2=O 2324407229 OXRZONLJDZMWKO-KRWDZBQOSA-N 431.463 5.465 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(OCC)cc3)n2)cc1 2324547693 VJNCZXRCXYGXSD-QFIPXVFZSA-N 432.545 5.887 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OCC(=O)Nc2ccccc2C)cc1 2324693896 WPUZUKIKRKHSEH-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE Cc1c(OCC(=O)N[C@@H](C)c2ccccc2)ccc2c1OC(=CC=Cc1ccccc1)C2=O 2325019952 QKJXEUBCNMHPKM-FQEVSTJZSA-N 439.511 5.424 30 10 IKEE C=CCOc1ccccc1C=Nn1c(Cc2ccc(OCC)cc2)nnc1SCCC 2325424681 OYDRZOFLGYNJQS-UHFFFAOYSA-N 436.581 5.217 30 10 IKEE Cc1cc(OCCN2CCCCC2)cc2c1C(=O)C(=Cc1ccc(Br)cc1)O2 2325701389 ARKIEDAFWLCQGE-UHFFFAOYSA-N 442.353 5.238 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccccc3C)c2)cc1 2325710417 BFRQTERHCSUCAE-UHFFFAOYSA-N 428.528 6.462 30 10 IKEE CCCCCCC(=O)Oc1cccc(C=CC(=O)c2cc(OC)c(Cl)cc2OC)c1 2325759245 ZTSPBVXNQPQRFA-UHFFFAOYSA-N 430.928 6.129 30 10 IKEE CCCCCCC(=O)Oc1cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)ccc1OC 2325763247 LQRNNNIDGDEXLZ-UHFFFAOYSA-N 444.955 6.438 30 10 IKEE C=C(C)CSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1ccccc1C 2326382549 YPASRCQZGZXKQA-UHFFFAOYSA-N 434.609 5.765 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1ccccc1OCCC 2326683350 BLDNYRFQYIPKDO-UHFFFAOYSA-N 433.581 5.456 30 10 IKEE CCCSc1nnc(COc2ccc(OCC)cc2)n1N=Cc1cccc2ccccc12 2326689040 SFNWIERFJKEQFY-UHFFFAOYSA-N 446.576 5.793 30 10 IKEE CCSc1nnc(CCc2ccccc2Cl)n1N=Cc1c(Cl)cccc1Cl 2327948456 DCNXSRVDMULBGU-UHFFFAOYSA-N 439.799 6.018 30 10 IKEE CCCCOc1ccc(C=Nn2c(CCc3ccc(OC)cc3)nnc2SCC)cc1 2328575036 ASJSJVPEGFCNLR-UHFFFAOYSA-N 438.597 5.245 30 10 IKEE C=CCSc1nnc(COc2cccc(C)c2C)n1N=Cc1c(F)cccc1Cl 2328857461 DUXYGVWBSMCFQF-UHFFFAOYSA-N 430.936 5.427 30 10 IKEE Fc1cccc(CSc2nnc(Cc3ccc(Cl)cc3)n2N=Cc2cccs2)c1 2329085191 KKEAUNVVRHZEPP-UHFFFAOYSA-N 442.972 5.897 30 10 IKEE Cc1cccc(CSc2nnc(CCOc3ccccc3)n2N=Cc2ccccc2F)c1 2329171061 WYNKACMGDSTOKG-UHFFFAOYSA-N 446.551 5.522 30 10 IKEE C=CCNC(=O)Oc1cccc2c(NC(=O)C=Cc3ccc(OCC)c(OC)c3)cccc12 2329874360 UHCCFJVDMSHBOK-UHFFFAOYSA-N 446.503 5.173 30 10 IKEE C=C(C)CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2330101997 TVYIBJRJAQHZJN-OAHLLOKOSA-N 441.944 5.542 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCc3ccccc3F)nnc2[C@H](C)c2ccccc2)c1 2330109117 HCKNESTTZKISPF-GOSISDBHSA-N 446.551 5.758 30 10 IKEE CCCC(=O)Oc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1Br 2330600108 AECRJQIAYHZGGP-UHFFFAOYSA-N 449.344 6.718 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)Cc3ccc(F)cc3)c(OC)c2)cc1 2330742201 CIEFZVZIJUUXDC-UHFFFAOYSA-N 448.490 5.450 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)CCc2ccccc2)c([N+](=O)[O-])c1 2331069279 VPVYVOXVHBCJGZ-UHFFFAOYSA-N 431.444 5.038 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Br)c1OC(=O)C1CC1 2331151930 DUKOXHPPOOCLGM-UHFFFAOYSA-N 435.701 5.323 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)cc2)c(C)c1 2331216249 IKJFYROXTIQZKT-RPWUZVMVSA-N 430.931 6.562 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1OC 2331238612 CZUJBFMPQRHXKB-UHFFFAOYSA-N 441.738 6.647 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)[C@H](C)Oc3ccc(Cl)cc3)cc2)c1 2331315899 FRZNLLQAHREJHX-IBGZPJMESA-N 434.919 6.226 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)CCOc3ccccc3)c(Cl)c2)c1 2331320306 WWIMVNLBQCSMEB-UHFFFAOYSA-N 434.919 6.227 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)c1ccc(F)cc1 2331331116 WBTUSKITAGVDOM-UHFFFAOYSA-N 442.845 6.051 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cccc2ccccc12 2331405531 TXCOPGLOPJWOPI-UHFFFAOYSA-N 434.996 6.557 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)CCc1ccccc1 2331430693 SASUWNLSQXNWGT-UHFFFAOYSA-N 442.555 6.427 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)c(C)c3)c(Cl)c2)cc1F 2331454026 NDCMOTMKPNKFLR-UHFFFAOYSA-N 438.882 6.220 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(CC(C)C)nnc2SCc2cc(C)ccc2C)cc1 2331455951 YMUQVAYOPUSKFP-UHFFFAOYSA-N 449.668 6.114 30 10 IKEE Cc1ccccc1C=Nn1c(CC(C)C)nnc1SCc1c(Cl)cccc1Cl 2331461944 ZRMMPEYUBXYFAM-UHFFFAOYSA-N 433.408 6.266 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1)c1ccc(F)c(F)c1F 2331470228 VHLLUBVDGJPGRG-UHFFFAOYSA-N 432.397 6.372 30 10 IKEE CCCSc1nnc(C2CCC2)n1N=Cc1ccc(N(CC)Cc2ccccc2)cc1 2331534288 IERJZMALNZTCGM-UHFFFAOYSA-N 433.625 5.956 30 10 IKEE O=C(O)c1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CCC2)cc1 2331539257 DFNZFPYBAODLAB-UHFFFAOYSA-N 426.929 5.072 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2ccc(OC(=O)CC(C)C)c(Cl)c2)cc1Cl 2331698093 VDFWIIZOEFZWLI-UHFFFAOYSA-N 437.319 5.858 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(N(C)C)cc3)cc2)cc1C 2331835596 ZXYPLKCBTGEXQZ-UHFFFAOYSA-N 429.516 5.493 30 10 IKEE CCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c3ccccc23)cc1Br 2331869041 XIYSCKRBRQTUSP-UHFFFAOYSA-N 439.305 5.822 30 10 IKEE CC(C)[C@@H](CCNC(=O)OC(C)(C)C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339604932 WXMOXNOWXHYMKR-XYDKVEKUSA-N 446.397 5.044 30 10 IKEE CC#CCN(C[C@H](NCCC)c1c(C)ccc(Br)c1F)C(=O)OC(C)(C)C 2363135295 IBGBYGDGVKQVLH-KRWDZBQOSA-N 441.385 5.198 30 10 IKEE CN[C@H](C#CC1(OC)CCCC1)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2363532422 FTYFKIIDTAZPGP-GOSISDBHSA-N 437.378 5.019 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1c(Cl)ccc(Cl)c1Cl 2364580061 KVVNWYFOJFCIJE-MRXNPFEDSA-N 425.743 6.962 30 10 IKEE CN(Cc1ccccc1)CC1CCN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CC1 2365064302 LYFNLGUVSTVZKR-DTQAZKPQSA-N 447.432 5.075 30 10 IKEE CC1(C)OB(c2ccc(COc3ccc(Br)cc3Cl)c(F)c2)OC1(C)C 2369069689 MEGJZTKRSDZUIC-UHFFFAOYSA-N 441.533 5.120 30 10 IKEE COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(-c4cccc([N+](=O)[O-])c4)c32)cc1 20849713 JDILMGGGTVZLCL-HXUWFJFHSA-N 444.491 5.194 30 10 IKEE Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(Cl)cc2Cl)cc1 21223455 VYBZJYYVDKOCNW-QUGAMOGWSA-N 449.381 7.281 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccncc2)cc1 21224302 XGAHVNQWMLXCDN-NFQMXDRXSA-N 425.532 5.850 30 10 IKEE COc1cccc(C(=O)Oc2ccccc2/C=C\C(=O)c2ccc(-c3ccccc3)cc2)c1 34954578 UEXOFDPRBBJRDC-HNENSFHCSA-N 434.491 6.478 30 10 IKEE CNC(=O)c1c(Nc2cccc(C)c2)sc2c(-c3ccc(Cl)cc3)c(C#N)c(N)nc12 39895260 JQVCWPMHIRSGNM-UHFFFAOYSA-N 447.951 5.482 30 10 IKEE CCCCCCCCCCCCCCCCO[P@@](=O)(O)OCC[N+]1(C)CCCCC1 43178672 FDZAMDPZVPYPHD-UHFFFAOYSA-O 448.649 7.232 30 10 IKEE CCCCCCCCCCC(=S)CCCCC(=O)Oc1ccc2c(C)cc(=O)oc2c1 100057734 PQBMDSVRVRDBPW-UHFFFAOYSA-N 444.637 7.468 30 10 IKEE CCN1C(=O)C[C@@H](C(=O)Nc2ccc(F)cc2)S/C1=N\c1cc(Cl)cc(Cl)c1 100195678 XMWUDPHMQWQKLO-WGCOJADFSA-N 440.327 5.113 30 10 IKEE CCCCCCCCCCCn1c([C@@H](C)NC(=O)c2cccc(C)c2)nc2ccccc21 102112356 DTAHMOHRFAIUMB-HSZRJFAPSA-N 433.640 7.367 30 10 IKEE N#Cc1c(-c2ccc(F)cc2)cc(-c2cccs2)nc1SC/C=C\c1ccccc1 102784832 IDFYAPSUCOWTBB-YWEYNIOJSA-N 428.557 7.293 30 10 IKEE CC1(C)CC(=O)C([C@@H](C2=C(O)CC(C)(C)CC2=O)c2c(Cl)cccc2Cl)C(=O)C1 105680479 OKPGLENCRJUGSZ-NRFANRHFSA-N 437.363 5.853 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 163116134 NLBFYDDFXZHFEA-MKMNVTDBSA-N 433.479 5.446 30 10 IKEE CCCOc1c(Cl)cc(/C=N\n2c(S)nnc2Cc2cccs2)cc1Cl 169914031 ASHBEZYNYVIVLT-JMIUGGIZSA-N 427.382 5.197 30 10 IKEE CCCN1C(=S)N[C@@H](c2ccc(OCc3ccccc3)c(Cl)c2)C(C(C)=O)=C1C 169930150 VSZGRASAWUZJDH-QFIPXVFZSA-N 428.985 5.423 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(Oc3ccc(C)cc3)cc2)NC(=S)N1C 169934812 DZJOLPJLNIJQNG-XMMPIXPASA-N 428.557 5.805 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 169936308 AVRDVLVTAAXHGR-JOCHJYFZSA-N 444.874 5.003 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2cccs2)ccc1F 169984696 SWDGHTGLQOIQQK-FQEVSTJZSA-N 441.911 5.940 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1cccs1 169985468 SOPSAATXTTXKLN-FQEVSTJZSA-N 439.920 5.501 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccccn1 169993993 QRTIHUSDLISVLU-HXUWFJFHSA-N 439.298 5.480 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2cccnc2)c(C)c1 170005264 MWHHDGLVODSPAH-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]2c2cccnc2)cc1 170008819 BAXYNBDUZYEKOX-JOCHJYFZSA-N 432.907 5.389 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2C2CCCC2)cc1 170034030 MYIDCYQPCUDKMN-DEOSSOPVSA-N 449.547 5.313 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccccc2)c1 170036558 QHBMSZKHKGVWCO-RUZDIDTESA-N 427.500 5.187 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccccc1F)c1c[nH]c2ccccc12 170072282 REPAOBPXZVOKDR-QHCPKHFHSA-N 444.437 5.225 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccc2F)c1 170072395 AZRIQTMKAXXMHV-QHCPKHFHSA-N 433.454 5.360 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccco1)c1cccc(Cl)c1 170096062 BGZDDKABEGHJLE-QFIPXVFZSA-N 446.890 5.235 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCc3ccc(Cl)cc3)[C@H]2c2ccco2)ccc1F 170096767 GCNBQWIOEAKAKG-NRFANRHFSA-N 439.870 5.202 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)c(C)cc4[nH]3)[C@@H]2c2ccco2)c1 170098822 OPEWHHPNMSCVHF-JOCHJYFZSA-N 441.487 5.172 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2c(C)[nH]c3ccccc23)cc1C 170103929 RSTCKBRPJHSAKI-XMMPIXPASA-N 440.499 5.465 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2ccccc2)c1 170118081 PSLTZLGYGVRLOI-XMMPIXPASA-N 443.499 5.265 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(O)cc1)c1cc2ccccc2o1 170131635 AJLCTLBLPUQNHO-QFIPXVFZSA-N 429.403 5.060 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2cccs2)cc1C 170156297 WDGRHBCSNXWQSS-HSZRJFAPSA-N 447.556 5.855 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccn2)cc1C(C)C 170174300 HIQKMKFNNLPDKK-XMMPIXPASA-N 442.515 5.305 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)c(Cl)c2)[C@H]1c1ccccn1 170181079 OXOMFHUKQNZWAH-GOSISDBHSA-N 449.334 5.166 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccccc2)c1 170224525 YEYVKCMXTCMJII-XMMPIXPASA-N 443.499 5.210 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccccc2)c(C)c1 170225715 QKRDLJXJTLCHFA-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1C 170226626 DLOVKKIPKBLENB-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccccc1)c1c[nH]c2ccccc12 170234145 CIPXGOVRBWFHFU-QHCPKHFHSA-N 426.447 5.086 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 170238275 IAOBRXOKVYGFLN-HXUWFJFHSA-N 425.818 5.401 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1c(C)[nH]c2ccccc12 170311950 ATSMJIINGBJYIC-XMMPIXPASA-N 446.547 5.642 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2sccc2C)cc1Cl 170317492 NAPOESVFWTWEAA-IBGZPJMESA-N 445.968 5.630 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1)c1cccs1 170421764 MMFMFHZIVYJUGL-HXUWFJFHSA-N 441.911 5.362 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccccc2OC)cc1 170454038 XVEHYCIHXARYRP-JOCHJYFZSA-N 436.552 5.057 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2cccc(OC(C)C)c2)c1 170474742 NXKQKRKHPCJPFW-QFIPXVFZSA-N 437.536 5.388 30 10 IKEE O=C1/C(=C\c2ccc(-c3ccccc3)cc2)Oc2c1ccc1c2CN(Cc2cccnc2)CO1 212429817 PXOKXSYHPPLXLI-JFLMPSFJSA-N 446.506 5.717 30 10 IKEE C=C(CO)[C@@H]1CC[C@@]2(C)CC[C@@]3(C)[C@H](CC[C@H]4[C@]3(C)CC[C@H]3C(C)(C)C(=O)CC[C@@]34C)[C@@H]12 253534157 ZUBZPUNHXGLZSQ-CAHAIUJLSA-N 440.712 7.205 30 10 IKEE CC(=NOCc1cccc(C(=O)N=[S@](C)(=O)c2ccccc2)c1)c1ccc(Cl)cc1 254383747 JTBBXGSNDACVEM-SSEXGKCCSA-N 440.952 5.578 30 10 IKEE Cc1ccc(N=C2Sc3nc4cc5c(cc4cc3CN2C[C@@H]2CCCO2)OCO5)cc1 254399806 GSAYFZRGXUXTRX-IBGZPJMESA-N 433.533 5.046 30 10 IKEE CCN[C@@H](C#Cc1ccccc1)c1cc(NC(=O)OC(C)(C)C)ccc1Br 407671171 LAPDJJCBRPRFEX-FQEVSTJZSA-N 429.358 5.498 30 10 IKEE Cc1ccc([C@H]2C(c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526489035 DNQBDQDNVSFLGY-QFIPXVFZSA-N 435.310 6.231 30 10 IKEE CCOc1ccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1OC 526518501 YVPVHELZQFTWQN-XMMPIXPASA-N 444.462 5.162 30 10 IKEE CCOc1ccc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526605720 FAKLSTUUYXRYJS-HSZRJFAPSA-N 430.891 5.668 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1ccc(O)c(OCC)c1 526819646 ZSWKYCJLOVFYMI-MYYYXRDXSA-N 438.597 5.516 30 10 IKEE CCOc1ccc(/C=N\n2c(CC)nnc2SCc2cccc3ccccc23)cc1OC 526821269 JXEFPILGAHFBBM-QQXSKIMKSA-N 446.576 5.576 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccc(OCC(C)C)cc1 526821551 YHQRUYCOQPQEAT-YUMHPJSZSA-N 444.604 6.203 30 10 IKEE N#Cc1ccccc1NC(=O)Nc1cccc(C(=O)Nc2ccc(Br)cc2)c1 586732257 ZJYMUTSYWSWCFK-UHFFFAOYSA-N 435.281 5.217 30 10 IKEE COc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)c(F)c1 698447172 SLAWRQDMMKYLLW-SFHVURJKSA-N 435.293 5.603 30 10 IKEE Cc1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)cc(C)c1O 698455534 CZJYVAHNTMGUFM-GOSISDBHSA-N 431.330 5.778 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2cccc(OCc3ccccc3)c2)c1 698470782 VPUDAEWAOBBTON-RUZDIDTESA-N 428.532 6.580 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@]1(C#N)CCc2cc(Br)ccc2C1 698873302 IRSLOUUUIKYVMA-NRFANRHFSA-N 447.398 5.699 30 10 IKEE Cc1sc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)cc1Br 698940549 OZROJMRZRAQYHN-OAHLLOKOSA-N 441.778 6.479 30 10 IKEE COc1ccc2c(c1)CCc1sc(N=Cc3ccc(OCc4ccccc4)cc3)nc1-2 1084426353 KKUXSIJFCGUAHB-UHFFFAOYSA-N 426.541 6.247 30 10 IKEE Cc1ccc(NN=C2C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)cc1Cl 1084511625 WKYVZFDRZKNJOD-UHFFFAOYSA-N 444.749 6.318 30 10 IKEE O=C1/C(=C\c2ccc(Cl)cc2)S/C(=N/N=C/C=C/c2ccccc2)N1Cc1ccco1 1615304669 ZGPZFRDXCGXEPQ-YUDUSWNBSA-N 447.947 6.105 30 10 IKEE Cc1ccc(-n2c(C)cc3c2CC(C)(C)CC3=NOC(=O)COc2ccccc2)cc1C 1772728296 FCMPMEISCNOPIN-UHFFFAOYSA-N 430.548 5.701 30 10 IKEE O=C(ON1C(=O)c2ccccc2C1=O)c1oc2ccccc2c1CSC1CCCCC1 1772791239 PZPPKMXCAAXHCO-UHFFFAOYSA-N 435.501 5.367 30 10 IKEE N=c1c(-c2c(F)c(F)c(F)c(F)c2F)c[nH]cc1-c1c(F)c(F)c(F)c(F)c1F 1848358326 SXAITPFRJABWDV-UHFFFAOYSA-N 426.213 5.219 30 10 IKEE C=C1/C(=C/C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)[C@@H](C)CO)C[C@@H](O)C[C@@H]1O 1848432546 FEVQPNVYQOMSLW-QJLKYNLUSA-N 428.657 5.584 30 10 IKEE CCCCCCCOc1cccnc1NC(=O)Oc1ccc(C(C)(C)CC(C)(C)C)cc1 1858690943 LMILPTYQERYBDM-UHFFFAOYSA-N 440.628 7.756 30 10 IKEE N#Cc1ccccc1COc1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 1860154964 DTEKCTCFDYDNDK-UHFFFAOYSA-N 434.495 5.969 30 10 IKEE COc1cc(/C=C/C(=O)C(=O)Nc2ccc(C(C)C)cc2)ccc1OCc1ccccc1 1860728928 YBYNGDGVCAMMMG-OQLLNIDSSA-N 429.516 5.619 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(Cl)cc1 1862385711 VZSNHIGDNJEQRT-SFHVURJKSA-N 438.738 5.881 30 10 IKEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(C)cc2)cc1 1862475262 HXSOATBYFWLDHI-RUZDIDTESA-N 441.527 5.133 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C23CC4CC(CC(C4)C2)C3)c1 1862554994 PMNKRUUEKWTMPP-GETQMSEISA-N 442.559 5.124 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(O)c2)=C(O)C(=O)N1Cc1ccccc1Cl 1862589005 BWIJIRLHSJQMKA-QFIPXVFZSA-N 433.891 5.133 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc(O)c1 1862673335 CQCFBHHCMBAHCN-QFIPXVFZSA-N 425.500 5.470 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccc2cc[nH]c2c1)c1ccc(F)cc1 1862677547 BWFSVVXYCDABRQ-QHCPKHFHSA-N 432.495 5.608 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(Cl)cc1 1862701006 UBIOWBJYPVBLJA-NRFANRHFSA-N 427.928 5.507 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2cccc(F)c2)c1 1862702776 LZQCLRCCEIJYJB-HJPURHCSSA-N 431.463 5.174 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 1862747889 WPOVPJKLGGWEDF-QFIPXVFZSA-N 436.508 5.534 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC[C@H]2CCCO2)=C(c2ccc(F)c(C)c2)C1=O 1863791035 ZEVAALBRUWNHII-OAQYLSRUSA-N 444.591 5.123 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccc(F)cc2)=C(c2cccs2)C1=O 1863808717 SNLHLDFJODUJMT-UHFFFAOYSA-N 442.600 5.898 30 10 IKEE CC[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(C#N)c1)c1ccc(Cl)cc1 1866957700 VFUYSQUEKBJCJY-ZEQRLZLVSA-N 445.950 5.071 30 10 IKEE COc1ccc2c(c1)C[C@@H](C)CN2c1cc(Nc2ccc(C#N)cc2)nc(C(C)(C)C)n1 1868355333 GIICCIVYOJJESJ-QGZVFWFLSA-N 427.552 5.728 30 10 IKEE C=CCn1cc(OCC(=O)Nc2cc(Cl)ccc2Cl)c(=O)cc1CSC(C)C 1870203607 QCJKYFKHTUGDFY-UHFFFAOYSA-N 441.380 5.000 30 10 IKEE C#CCOc1cn(Cc2ccc(C)cc2)c(CSc2nc3ccccc3s2)cc1=O 1870301977 BGRDGYZMYAVNPZ-UHFFFAOYSA-N 432.570 5.119 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc4c3CN(C35CC6CC(CC(C6)C3)C5)CO4)C2=O)cc1 1871352822 DNUBWYGNCOROMO-GATIEOLUSA-N 427.544 5.732 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccccc2)C3=O)cc1 1871450469 GVQGGRVSYOFGNJ-AOBKZXEFSA-N 427.500 5.834 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871450585 JPIMRMMQCZJGOO-APQFFPOMSA-N 441.527 6.142 30 10 IKEE CCc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1 1872780715 LPDCPKQZHULMMJ-HSZRJFAPSA-N 446.616 6.642 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc3c[nH]nc3c2)=C(c2ccccc2C)C1=O 1873305537 JSNCIDSMGFIKJF-UHFFFAOYSA-N 430.552 5.424 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1c(C)nn(C)c1C 1873503213 CNYUAXBNUNIGSC-LSHDLFTRSA-N 437.400 5.062 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1cc(Cl)ccc1C)n2C 1873619997 QSONBUSAIOJJGS-UHFFFAOYSA-N 427.980 5.955 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)c(Cl)c2)cc2c(N(CCC)CCCC)ncnc21 1873659640 XLIXQZUSGHQURA-UHFFFAOYSA-N 439.991 5.848 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1CC[C@H](Cn2c(O)nc3ccccc3c2=O)CC1 1873935746 XXVUEUJVHPKVJZ-MEMLXQNLSA-N 441.616 5.165 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3cc(Cl)ccc3OC)c(=O)oc2c1C 1873938859 IQHUTSKMJUZUHK-UHFFFAOYSA-N 441.911 5.208 30 10 IKEE CC(C)c1ccc(/C=N/n2c(CCc3cccc4ccccc34)nnc2SCCO)cc1 1874233910 IMOCIKVPGLKTEX-OVVQPSECSA-N 444.604 5.307 30 10 IKEE C=C(C)CSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1sccc1C 1874246139 ORTGNVBRVVMBIF-OEAKJJBVSA-N 426.611 5.518 30 10 IKEE CCCCC1CCC(c2nnc(SCC)n2/N=C/c2ccc(C(=O)OC)cc2)CC1 1874285045 MPIPXJJIHRWOIG-LFVJCYFKSA-N 428.602 5.523 30 10 IKEE C=C(C)CSc1nnc(COc2cccc(C)c2C)n1/N=C/c1ccc(C(C)C)cc1 1874323152 APNVRVKJTRBVDS-VULFUBBASA-N 434.609 6.148 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc(O)cc1 1874336620 KGMRWKVFUKGDRX-CVKSISIWSA-N 448.979 5.711 30 10 IKEE Cc1ccsc1/C=N/n1c(COCc2ccccc2)nnc1SCc1ccccc1 1874355340 JRIUFEBCFJQXBN-ZVHZXABRSA-N 434.590 5.539 30 10 IKEE Fc1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCc2ccc(F)cc2)cc1 1874378888 YXTCPVKMUXLVPW-MZJWZYIUSA-N 438.478 5.461 30 10 IKEE Fc1cccc(/C=N/n2c(Cc3cccs3)nnc2SCc2cccc(F)c2)c1 1874411817 NCQOGQUMOQBTEM-ZMOGYAJESA-N 426.517 5.383 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3ccccc3C)nnc2-c2ccccc2)c1 1874426268 ZINKWYUWQXXGQJ-OVVQPSECSA-N 442.588 6.217 30 10 IKEE Cc1ccc(CSc2nnc(CC(C)(C)C)n2/N=C/c2cccc3ccccc23)cc1 1874436456 BMMKPFSFVAHYFA-WPWMEQJKSA-N 428.605 6.503 30 10 IKEE COc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2cccc3ccccc23)cc1 1874439926 AHRLNQJFOJEPJS-WPWMEQJKSA-N 444.604 6.203 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc(O)c(O)c1 1874440876 XQLQNJFWXQZYRI-FSJBWODESA-N 430.961 5.106 30 10 IKEE COc1cc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CCCC2)ccc1O 1874455834 MZLCFDCXNPDOBS-ZMOGYAJESA-N 442.972 5.478 30 10 IKEE CCCOc1c(/C=N/n2c(C)nnc2SCc2c(F)cccc2Cl)cccc1OC 1874534854 FCZOANIADHSFMS-WYMPLXKRSA-N 448.951 5.351 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccccc1OC 1874576764 FJJDTZKSNIHSII-WYMLVPIESA-N 449.934 5.825 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2c(OCc3cccc(Cl)c3)ccc3ccccc23)cc1 1874578114 WXERKKXVCAOCPN-FOCLMDBBSA-N 442.942 7.367 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1cccc(F)c1)c1ccc(Cl)c(Cl)c1 1874579545 UOCOELWNYHCIKI-VMPITWQZSA-N 435.709 7.261 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc3c(c2)OCO3)c1OCc1cccc(C)c1 1874582828 ITGBETDUNVYAIR-SOFGYWHQSA-N 436.891 5.861 30 10 IKEE CCc1ccccc1NC(=O)COc1ccccc1/C=C/C(=O)c1cc(Cl)ccc1OC 1874592180 QWIYMXBEUPNUBE-WYMLVPIESA-N 449.934 5.825 30 10 IKEE CCc1ccc(NC(=O)COc2cc(/C=C/C(=O)c3ccc(F)cc3)ccc2OC)cc1 1874598137 WFBJRHRHUWSKAH-MKMNVTDBSA-N 433.479 5.310 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 1874606401 LOQRFEVIYRQXJS-MHWRWJLKSA-N 439.382 7.811 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OCc1cc(C)ccc1C 1874615110 HVYOCMZCPFKRTF-ZRDIBKRKSA-N 430.544 6.413 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccccc1C 1874633106 MCRZFYANFGZLFI-SDNWHVSQSA-N 443.543 5.924 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCCOc3c(C)cccc3C)c2)cc1 1874694639 NNPMIQXFWGKYBI-OBGWFSINSA-N 442.555 6.527 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)c2)cc1 1874694892 ZMDKMZQKGLBRRK-GGBAQWBSSA-N 430.931 6.508 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)CC34CC5CC(CC(C5)C3)C4)c2)cc1F 1874707031 LAKUMYXNWKUCPA-FNORWQNLSA-N 448.534 6.242 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2cccc(OC(=O)c3c(F)cccc3Cl)c2)c1C 1874710810 KHTLIMXTZMUWEJ-VAWYXSNFSA-N 436.910 6.828 30 10 IKEE C=CCN(CC=C)CCC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)cc1 1874753182 RQPPURDXWZNLOG-OAQYLSRUSA-N 434.580 5.463 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(Br)cc2)CSc2nncn21 1874811742 OCIXSTBKDBMQDE-QGZVFWFLSA-N 437.407 5.103 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)cc1)c1cccc([N+](=O)[O-])c1 1875085248 WPKANUCYCOIIIX-ONAORTGXSA-N 447.874 5.853 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C(F)(F)F)c(Cl)c1)c1ccc(Br)cc1 1875109786 FPGDEAFZIYLTBN-LREOWRDNSA-N 433.607 5.466 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3Cl)cc2)cc1 1875111239 ADDLJORNNAMSNJ-LFIBNONCSA-N 434.919 6.173 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCOc3ccccc3)c(Cl)c2)cc1 1875113852 BFLHLSISGSSVPK-NTUHNPAUSA-N 436.891 5.619 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)cc(Cl)c1OC(=O)CC(C)(C)C 1875119088 DHTPBNLHAJLJQM-VAWYXSNFSA-N 430.928 5.985 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)C1CCCC1 1875122449 OCGFDGVTCWXJTH-FMIVXFBMSA-N 426.459 5.694 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1Cl 1875126253 XDIIKCQWQGUURX-OQLLNIDSSA-N 433.375 7.546 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3cccc(OC)c3)cc2)cc1 1875137561 SMAQUXZOVVLKLM-CXUHLZMHSA-N 446.499 5.365 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)c1ccccc1C 1875166594 OFLNLGCKPBOIFQ-JLHYYAGUSA-N 430.500 5.744 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1 1875169325 HFQGILCBTQETGT-DTQAZKPQSA-N 436.507 6.581 30 10 IKEE O=C(Nc1cc(Br)cc(C(F)(F)F)c1)Nc1c(F)c(F)c(F)c(F)c1F 1891402271 ZXDJEGDEZLVJSL-UHFFFAOYSA-N 449.095 5.807 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCC)c2ccc(F)cc2Br)C1 1898191444 NFNLFEJCLHOTST-QGZVFWFLSA-N 427.358 5.100 30 10 IKEE C=C[C@@]1(Oc2ncc(Br)c3ccsc23)CCCN(C(=O)OC(C)(C)C)C1 1903472135 RAZZCOSRCLSNLW-LJQANCHMSA-N 439.375 5.393 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](O)c1cc(C)cc(Br)c1F 1927661557 LYBSPTANKCNIOQ-FCHUYYIVSA-N 436.365 5.071 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@](C#N)(N(C(=O)OC(C)(C)C)c1ccccc1Cl)C2 1950025272 DRXDVHBOQGSMLQ-FMKFIRIRSA-N 447.963 5.373 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@]1(C#N)CCCN(Cc2ccccc2)CC1 1997811189 CPSLBCBPTQOSHA-SANMLTNESA-N 425.617 5.895 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)[C@@H]2CC[C@H]21 2008459925 FXWHKWMVTRTBKW-KHCICDEESA-N 433.593 5.238 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@H](NC(=O)OC(C)(C)C)C1(C)C 2013406956 LLWAUOCHJPAMQT-MHECFPHRSA-N 429.561 5.322 30 10 IKEE CC[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 2014644545 IGXLCGYATHNUGE-MBSDFSHPSA-N 449.979 5.763 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 2016224486 KAKVYDKYFWEQJK-GAJHUEQPSA-N 449.617 5.415 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCC2)C2(CCC2)C1 2019922399 VETGHKUTIGLIDM-OALUTQOASA-N 433.593 5.095 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1[C@@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]1C 2022685510 DNDCAPVXWAUZNN-VSYWRSJOSA-N 430.633 5.409 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3)cc2)cc1CSCC(=O)O 2040475248 DFRCOIFDFIWMRV-UHFFFAOYSA-N 448.540 5.488 30 10 IKEE Cc1ccc([C@@H](n2nc(C3CCC3)c(C#N)c2I)C2(C)CC2)cc1F 2079127152 KEGDJXMEVOFCTA-GOSISDBHSA-N 449.311 5.464 30 10 IKEE COc1ccc([C@@H](n2nc(C3CC3)c(C#N)c2I)C(C)(C)C)c(C)c1 2079874115 ZEVNJWRXPDFEDK-GOSISDBHSA-N 449.336 5.189 30 10 IKEE CC(C)(C)OC(=O)N1CCCC12CCC(Nc1cccc(Br)c1C#N)CC2 2167901841 CGKWHDABTIGLMR-UHFFFAOYSA-N 434.378 5.445 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1cnn(C(F)(F)F)c1 2175133619 IETRJXXBCQKMJH-CQSZACIVSA-N 445.239 5.128 30 10 IKEE N#Cc1cc(Br)ccc1COc1ccc(Cl)c(Cl)c1Br 2206353741 KXRLKYOUKIEFRS-UHFFFAOYSA-N 435.930 5.969 30 10 IKEE C=CCCCCCCC[C@H](N)c1cc(Br)ccc1I 2227276782 UFIWEXIMSVQFPN-INIZCTEOSA-N 436.175 5.970 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C 2235725037 GXIMMOGVFJOWST-RTBURBONSA-N 437.422 5.108 30 10 IKEE C=CC[C@H](C)[C@@H](NCCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237425640 VETKLCTZFRFUJC-FFZOFVMBSA-N 439.438 5.465 30 10 IKEE CCc1ccc(C#C[C@@H](N)c2cc(Br)cc(NC(=O)OC(C)(C)C)c2)cc1 2239733996 ATEXZRQEWRQOOJ-HXUWFJFHSA-N 429.358 5.410 30 10 IKEE Cc1csc(C(=O)N(Cc2ccccc2)[C@H](C)C(C)C)c1B1OC(C)(C)C(C)(C)O1 2247920142 WNNBEFUKSIZNHV-GOSISDBHSA-N 427.419 5.043 30 10 IKEE CC[C@@H](C)N(Cc1ccccc1)C(=O)c1cc(Cl)c(C)cc1B1OC(C)(C)C(C)(C)O1 2255541965 KZLWGDIZBDITNR-GOSISDBHSA-N 441.808 5.389 30 10 IKEE CC(C)(C)OC(=O)NC[C@@]1(C)CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2258803479 GKVHHTHONDQLQR-RPWUZVMVSA-N 447.551 5.544 30 10 IKEE C=CCCC1(C(=O)Nc2cc(Cl)cc(Br)c2)CN(C(=O)OC(C)(C)C)C1 2266281520 OACGEHOOAHHDSY-UHFFFAOYSA-N 443.769 5.244 30 10 IKEE CCN(c1c(Br)cccc1C#N)[C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 2285221217 SVGHOIHHCWBENB-AEFFLSMTSA-N 436.394 5.231 30 10 IKEE C=CCC1(COc2cc(F)c(Br)cc2N)CCN(C(=O)OC(C)(C)C)CC1 2287751939 MTDVHQALGINELP-UHFFFAOYSA-N 443.357 5.143 30 10 IKEE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)C(=O)C#CC1CCCCC1 2289646046 GMESXDLWKRLUAW-LJQANCHMSA-N 434.374 5.038 30 10 IKEE CCOc1ccc(N=C2NC(=O)C(=Cc3cc(C)n(-c4ccc(C)cn4)c3C)S2)cc1 2294143875 QERIFUGHCXVIIM-UHFFFAOYSA-N 432.549 5.088 30 10 IKEE CCOc1ccc2ccccc2c1C=C1N=C(SCc2ccccc2Cl)SC1=O 2295502312 OQQGBIOKODNGGG-UHFFFAOYSA-N 439.989 6.796 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H](NC(=O)OC(C)(C)C)c1cccs1 2296294149 QOLGBRZTBRRZSO-PKOBYXMFSA-N 449.414 5.106 30 10 IKEE C=CCOc1ccc(C=C2CCC(=Cc3ccc(OCC=C)c(OC)c3)C2=O)cc1OC 2297360418 OGZFDKQGRDZPER-UHFFFAOYSA-N 432.516 5.663 30 10 IKEE CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)C(=O)C(=Cc4cnn(C)c4C)C[C@H]32)C1 2297556291 JMQZWPIAQPSGBR-CNEJJOPNSA-N 436.596 5.185 30 10 IKEE Cc1ccccc1N=C1SC(=C2Sc3ccccc3N2C)C(=O)N1Cc1ccccc1 2297707881 VTHCPHUYQRIFCF-UHFFFAOYSA-N 443.597 6.169 30 10 IKEE CCC(=NCCc1ccccc1)c1c(C(F)(F)F)nn(-c2nc3ccccc3s2)c1O 2297741712 PVUUIVVSEAHGHG-UHFFFAOYSA-N 444.482 5.648 30 10 IKEE CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 2299174752 TZIZPOOLTOPRJQ-ZWKOTPCHSA-N 449.979 5.619 30 10 IKEE Cc1cc(C=C2SC(=Nc3ccc(C(=O)O)cc3)N(C)C2=O)c(C)n1C1CCCCC1 2313543709 CPQOIMHHGASAFP-UHFFFAOYSA-N 437.565 5.542 30 10 IKEE C=CCOc1ccc(C=C2SC(=Nc3ccncc3Cl)N(c3ccccc3)C2=O)cc1 2314542404 KSDHBJFBDSGCBA-UHFFFAOYSA-N 447.947 6.108 30 10 IKEE COc1cccc(C(C)=C2SC(=Nc3nnc(C)s3)N(C3CCCCC3)C2=O)c1 2314548231 RBYOCBRVFSWSRA-UHFFFAOYSA-N 428.583 5.182 30 10 IKEE CCCCC1CCC(c2nnc(S)n2N=Cc2ccccc2OCc2ccccc2)CC1 2322107088 AZRGPXUMQJNQAB-UHFFFAOYSA-N 448.636 6.492 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1cccc(Cl)c1)C3=O)CN(CCc1ccccc1)CO2 2322286967 SYQHRUPVALCZDF-UHFFFAOYSA-N 431.919 5.659 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCc2cccc(Cl)c2)cc1 2322455485 PEPXANQTTBTVEF-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2c(F)cccc2Cl)cc1C 2322894419 JFIFCGOOVCWGHN-UHFFFAOYSA-N 429.318 7.224 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)N[C@@H](C)c2ccccc2)cc1Cl 2322974734 CJHIBLTVXKGCSD-SFHVURJKSA-N 449.934 5.501 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1OCc1ccc(Cl)cc1Cl 2323105952 NIDCKJHICZLZHM-UHFFFAOYSA-N 449.280 6.755 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc(C)c3C2=O)o1 2323232640 QWNJDXVDGVJDKZ-UHFFFAOYSA-N 439.807 5.293 30 10 IKEE CCCOc1c(OC)ccc(C=CC(=O)c2ccc(OC)cc2OC)c1Br 2323283193 BAEKRAJFSCMTEE-UHFFFAOYSA-N 435.314 5.160 30 10 IKEE O=C1C(=Cc2ccccn2)Oc2cc(OC(=O)c3c(Cl)ccc(Cl)c3Cl)ccc21 2323659294 DRRYBVMXGMDDEN-UHFFFAOYSA-N 446.673 5.877 30 10 IKEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3cccc(Cl)c3)cc2OC)o1 2323777814 WMLQMPJUCXWXFU-UHFFFAOYSA-N 426.852 5.203 30 10 IKEE Cc1c(OCCCc2ccccc2)ccc2c1OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2324280947 BMXFAXXHQLYMAS-UHFFFAOYSA-N 439.338 6.930 30 10 IKEE Cc1cc(OCCc2ccccc2)cc2c1C(=O)C(=Cc1cccc(Br)c1)O2 2324281586 BPJWLGHGYYZQRS-UHFFFAOYSA-N 435.317 5.995 30 10 IKEE Cc1cccc(OCCOc2ccc3c(c2)OC(=Cc2ccc(Cl)c(Cl)c2)C3=O)c1 2324522633 VWWDBMPMXKKQPE-UHFFFAOYSA-N 441.310 6.376 30 10 IKEE CCCC[C@@H](Oc1cc(C)c2c(c1)OC(=Cc1ccc(N(CC)CC)cc1)C2=O)C(=O)O 2324784594 AGXICLRTXRWBHI-OAQYLSRUSA-N 437.536 5.480 30 10 IKEE CCc1ccc(NC(=O)[C@@H](CC)Oc2ccc3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1 2324816685 MQBBMBUFSGGXQB-HSZRJFAPSA-N 445.490 5.800 30 10 IKEE CCCCCCOC(=O)COc1ccc2c(c1)OC(=Cc1cn(CC)c3ccccc13)C2=O 2325027846 GMWCWKDOKFXJJM-UHFFFAOYSA-N 447.531 5.780 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OCC(=O)Nc3cccc(Cl)c3C)cc(C)c2C1=O 2325055475 ZWOHXYQMLQMOPB-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE CC(=O)c1cccc(NC(=O)COc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)c1 2325382918 GLRGRRZSZLOHAB-UHFFFAOYSA-N 447.874 5.176 30 10 IKEE COc1cccc(COc2cc(C)c3c(c2)OC(=Cc2cn(C)c4ccccc24)C3=O)c1 2325690838 HKYDRBLSBPAVAI-UHFFFAOYSA-N 425.484 5.691 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1OC(=O)c1ccccc1C 2325772558 WTQLOBZGXWGMRT-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(OCC(C)C)cc1 2326272526 NLFJCHVMORFZDT-UHFFFAOYSA-N 426.561 5.579 30 10 IKEE OCCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1cccc2ccccc12 2327797720 ADROUUCXZDCIAK-UHFFFAOYSA-N 438.556 5.142 30 10 IKEE CCCCCOc1ccc(C=Nn2c(Cc3ccc(OC)cc3)nnc2SCC)cc1 2329263762 OBDDQPVXXYKWLL-UHFFFAOYSA-N 438.597 5.441 30 10 IKEE Oc1ccccc1C=Nn1c(COCc2ccccc2)nnc1SCc1ccccc1F 2329342770 MFSWRCJFKIQXTN-UHFFFAOYSA-N 448.523 5.014 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SCCC)nnc2-c2ccccc2Cl)cc1 2329600332 VOGVGXFFRPFCOL-UHFFFAOYSA-N 443.016 6.552 30 10 IKEE CCOc1ccc(C=Nn2c(Cc3ccccc3F)nnc2SCc2ccccc2)cc1 2329741140 KGQXIVZVBNGUOO-UHFFFAOYSA-N 446.551 5.581 30 10 IKEE C(=Nn1c(COc2ccccc2)nnc1SCc1cccc2ccccc12)c1ccco1 2329920958 PGUVMTUWAOZJEJ-UHFFFAOYSA-N 440.528 5.778 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2ccccc2C)cc1 2330004176 DTKOPTAFNZFCAG-UHFFFAOYSA-N 426.589 5.703 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccc(C)cc3)nnc2[C@@H](C)c2ccccc2)c1 2330051082 CKGDLULIALXFCF-FQEVSTJZSA-N 442.588 5.921 30 10 IKEE CCCOC(=O)CSc1nnc(-c2cccs2)n1N=Cc1ccc(C(C)(C)C)cc1 2330620329 JWSNQFYIRCFKQP-UHFFFAOYSA-N 442.610 5.232 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Br)c1OC(=O)C(C)C 2331129853 RDONJEDHNSOVIU-UHFFFAOYSA-N 437.717 5.569 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc(C)cc(C)c3)c(OC)c2)cc1 2331212488 CBIKTAKQUUSIDP-UHFFFAOYSA-N 430.500 5.826 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(Cl)cc3)c(Cl)c2)cc1 2331260051 IJOVBOYSBYKEEJ-UHFFFAOYSA-N 425.311 6.346 30 10 IKEE COCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(C(C)C)cc1 2331313289 AEBHQVAHFBUAAJ-UHFFFAOYSA-N 446.979 5.557 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)COc3cc(F)ccc3F)cc2)ccc1F 2331332911 AVWTVNCVPCJTEA-UHFFFAOYSA-N 426.390 5.293 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCCO4)cc2)c1 2331396806 FADQJFSLRIQNTE-UHFFFAOYSA-N 428.484 5.119 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc3c(c2)OCO3)cc1OCC 2331443271 FLWHLCWQJZXLGM-UHFFFAOYSA-N 430.884 5.459 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3c(C)cccc3C)cc2)cc1F 2331452072 DJHRFVWLMIVBMS-UHFFFAOYSA-N 434.463 5.332 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OC(=O)COc1ccccc1 2331565744 VXCZIWDSUFWCBM-UHFFFAOYSA-N 438.426 5.244 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)CCc1ccccc1C 2331715296 IFYMHDGKEJNQCB-UHFFFAOYSA-N 428.528 6.055 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)cc(OC)c1OC(=O)C1CCC1 2331866672 NNVBVYUUMMGHOO-UHFFFAOYSA-N 446.499 5.467 30 10 IKEE CCCCCCC[C@H](OCC(=O)O)c1sc(Cl)cc1I 2366712908 TWTRTAOMLDHWAR-NSHDSACASA-N 430.735 5.509 30 10 IKEE CCc1ccccc1NC(=S)N/N=C1\C(=O)N(Cc2cc(C)ccc2C)c2ccccc21 3041790 GIXIONXSJOTLPB-COOPMVRXSA-N 442.588 5.103 30 10 IKEE C(=N/n1c(-c2ccccc2)cs/c1=N\C[C@@H]1CCCO1)\c1ccc(-c2ccccc2)cc1 12566032 IXAWCLZQZXUWLP-KIKDXWLRSA-N 439.584 5.846 30 10 IKEE C=C(C)[C@@H]1CC=C(CN2CCC(n3nccc3NC(=O)Nc3ccccc3C)CC2)CC1 14974291 DAHUYAMWPMUROH-JOCHJYFZSA-N 433.600 5.775 30 10 IKEE CCOC(=O)c1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1/N=C(\C)c1ccc(C)cc1 15770125 CJJJERVRPOQOLI-JBASAIQMSA-N 435.547 6.066 30 10 IKEE CCCn1cc(CN/C(=N/C(=O)c2cccc(C)c2)Nc2cccc(SC)c2)c(C)n1 32973000 MMOVAOHPZVONJU-UHFFFAOYSA-N 435.597 5.030 30 10 IKEE CC(C)c1ccc(/C=C/C(=O)c2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1 34955606 FXPUOZYRKTXUNY-FZSIALSZSA-N 449.344 6.688 30 10 IKEE C=CCCC(O)(CCC=C)c1ccc(CN(Cc2cccc(OC)c2)C[C@H]2CCCO2)o1 36203356 OKNNNLKYXQKWDU-XMMPIXPASA-N 439.596 5.589 30 10 IKEE Cc1occc1C(=O)Nc1cccc(C(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)c1 39850976 TVMVCJJTWATBNP-PKNBQFBNSA-N 431.875 6.650 30 10 IKEE C=CCN1C(=O)/C(=C/c2cccc(OCc3ccc(C)cc3)c2)S/C1=N/c1ccccn1 39862516 KNODCYDOVUBETL-GBPBPLIESA-N 441.556 5.759 30 10 IKEE Cc1c(/N=N/c2ccccc2C(=O)c2ccccc2)c(O)n(C2CCCCC2)c(=O)c1C#N 39871582 HJFYREVMEBVMLZ-ZQHSETAFSA-N 440.503 5.886 30 10 IKEE N#Cc1ccc(CN2C(=O)COc3ccc(-c4csc(Cc5ccccc5)n4)cc32)cc1 40606027 HWIHEEJMEPFJIP-UHFFFAOYSA-N 437.524 5.198 30 10 IKEE COC(=O)c1ccc(/C=C2\Oc3c(ccc(OC/C=C/c4ccccc4)c3C)C2=O)cc1 41436225 CKZAEOOYQCYSBW-FGNCHNASSA-N 426.468 5.490 30 10 IKEE CCCCCCCOc1ccc(C2=N/C(=C\c3ccc(Cl)cc3Cl)C(=O)O2)cc1 97997897 IENAOGUKRFUZDR-STZFKDTASA-N 432.347 6.687 30 10 IKEE CCCCCCCCC(=O)NCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1C 102996425 AOKCCHKYYVNMGU-UHFFFAOYSA-N 426.605 5.284 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2cccs2)cc1 169921277 MOLFBSXYLOXQSR-QFIPXVFZSA-N 445.496 5.281 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2cc(C)cc(C)c2)c1 169929761 UKWWRGFHDMJDPV-XMMPIXPASA-N 443.499 5.104 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1cccc(C)c1 169970199 YSDIBRKPRMTXJB-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2cccc(C)c2)c1 169972826 WVLWBVHOGDRJQQ-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1cccs1 169988310 YOWIJQQHCRIFSI-FQEVSTJZSA-N 441.455 5.126 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1C 170087661 UAZWIIIGLAHYSJ-DEOSSOPVSA-N 427.500 5.091 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 170150248 OVRHLSAYZFNVKU-QHCPKHFHSA-N 435.564 5.680 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccncc2)cc1 170205574 XRBIFLFHQNMNCL-XMMPIXPASA-N 442.515 5.270 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(Cl)c3)[C@H]2c2ccccc2)c1 170221394 UIOAQDRJHPOFNE-JOCHJYFZSA-N 449.890 5.140 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2)ccc1Cl 170223294 IKGUWGSBIISGTJ-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccccc2F)cc1 170249396 HKBAPTCFHFTLEX-RUZDIDTESA-N 437.470 6.070 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccco1 170286215 GHNPAAZITZOGLA-SFHVURJKSA-N 444.270 5.378 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2ccco2)cc1C(C)C 170289011 DPLHTOJMDBDTGQ-QHCPKHFHSA-N 447.487 5.209 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccco2)cc1 170290872 MIGMHSVDFNFPPT-NRFANRHFSA-N 439.414 5.130 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1ccc(C)o1 170300223 HNMFBHINRCKVJU-NRFANRHFSA-N 437.879 5.341 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2c2ccccc2O)o1 170301086 UKKCIBHXHKRYSL-LJQANCHMSA-N 444.270 5.383 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1sccc1C 170315612 GTSQHLYVJTYOKQ-KSFYIVLOSA-N 445.540 5.471 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2OC)[C@@H]1c1cccc(OCCC)c1 170323380 YWDGSDIRNUQAGL-QHCPKHFHSA-N 437.536 5.171 30 10 IKEE COc1ccc(Cl)cc1/C=C1\SC(=Nc2ccc(C)cc2)N(c2ccc(C)cc2)C1=O 252621152 MTZVPOYKYSIUND-YOIRLTMBSA-N 448.975 6.774 30 10 IKEE N#Cc1ccc(C=Nc2ccc(Cl)cc2Cl)nc1SCc1ccc(Cl)cc1 254290076 GNINLXJQPMRHKP-UHFFFAOYSA-N 432.763 6.956 30 10 IKEE C[C@@H]1CC[C@@]23CC[C@@H]4[C@](C)(CC[C@H]5[C@]4(C)CC[C@H]4[C@@H](C)C(=NO)CC[C@]45C)[C@@H]2[C@H]1OC3 254828663 SMVBJUJFMSJJCO-YDEWCCTCSA-N 427.673 6.927 30 10 IKEE CC(C)n1ncc(Br)c1C(=O)/C=C/c1ccc(NC(=O)OC(C)(C)C)cc1 405897569 AOWVQYGSYZPSAI-DHZHZOJOSA-N 434.334 5.470 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(Cl)cc2)cc1 526486297 OABCFCXAXZUXBZ-QHCPKHFHSA-N 430.891 5.668 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@@H]2c2ccc(Cl)c(Cl)c2)c1 526520762 JZHVRVBQBHIIHZ-NRFANRHFSA-N 439.273 6.061 30 10 IKEE COc1cc(/C=N\n2c(C)nnc2SCc2ccccc2Cl)ccc1OC(C)C 526815669 ICRMPRGXLOCMCO-FMCGGJTJSA-N 430.961 5.210 30 10 IKEE CCCOc1ccc(/C=N\n2c(CCC)nnc2SCc2ccccc2Cl)cc1 526816925 QBPOPRBDYRYGOU-IWIPYMOSSA-N 428.989 5.847 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1cccc(OC)c1 526821778 KEVPAPPVGIBDDA-ONUIUJJFSA-N 430.577 5.957 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 698869710 MWPMLXDPPNFTEM-MBSDFSHPSA-N 433.524 5.249 30 10 IKEE COc1ccccc1Oc1ccc(C(F)(F)F)cc1N=Cc1cc([N+](=O)[O-])ccc1O 1084386950 KYNDBJHYOOPOLY-UHFFFAOYSA-N 432.354 5.871 30 10 IKEE C=CCc1cc(/C=C2/S/C(=N\C)N(C)C2=O)cc(OCC)c1OCc1cccc(F)c1 1084422481 CHHWCTWLCTWFBB-QPVYCHHJSA-N 440.540 5.064 30 10 IKEE C(=NC1=N[C@H](c2ccco2)[C@@H](c2ccco2)S1)c1ccccc1OCc1ccccc1 1084565319 GQZQAMIOMRPPDC-DNQXCXABSA-N 428.513 6.456 30 10 IKEE C=CCOc1ccccc1/C=C1/SC(=Nc2nccs2)N(C2CCCCC2)C1=O 1772732829 DIDSIXXXECXMRC-VBBMDASPSA-N 425.579 5.645 30 10 IKEE C=CCN(CC=C)c1cc(-c2cc3cnccc3c(NC3CCCCCCC3)n2)ccn1 1857832117 VJQUFOJDKMSVPX-UHFFFAOYSA-N 427.596 6.395 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)/C=C/c1ccc(OCC)cc1 1861581528 MGLONQGTGHKHAV-UMHYRIRXSA-N 444.660 6.030 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccc(C)cc2)cc1C 1862400862 OJHZMRQFHAOZOI-KBMIEXCESA-N 441.527 5.652 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@@H]2c2ccccc2C)c1 1862411357 FRJTWSAPHOCBKL-QHCPKHFHSA-N 433.454 5.360 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862474167 LBGNWQZFNVULOR-KBMIEXCESA-N 425.528 5.897 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCc3ccccc3)[C@H]2c2ccc(O)cc2)cc1 1862474487 OLZZOSROGRAAIO-VWLOTQADSA-N 441.527 5.302 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(F)cc2)cc1 1862474981 ZYADHRAWQINMRU-BVZFJXPGSA-N 443.518 6.036 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2cccc3ccccc23)ccc1F 1862504750 BNEBFUHIMAHYSW-DEOSSOPVSA-N 447.506 5.291 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2cccc3ccccc23)cc1 1862518092 CBGSBODCBPZAQF-DEOSSOPVSA-N 429.516 5.615 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2c(Cl)cccc2Cl)cc1 1862521159 AYCJJHIAQHBBFJ-HXUWFJFHSA-N 446.330 5.523 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc(C(=O)O)cc2)cc1 1862532842 GWOUBIHEZNBVET-FQQGMQMYSA-N 447.531 5.104 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C23CC4CC(CC(C4)C2)C3)c1 1862554995 PMNKRUUEKWTMPP-RZNVFEIWSA-N 442.559 5.124 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccc(C)c1 1862659682 CEMPHXMJDHOSAI-AZGAKELHSA-N 447.619 7.056 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(OC)c(OC)c1 1862668632 DEKXPMRLMUWAND-HSZRJFAPSA-N 437.536 5.206 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(F)cc2F)C1=O 1862942452 ORMXTTMGEOVCNN-UHFFFAOYSA-N 449.844 5.195 30 10 IKEE N#Cc1ccc(NC2=C(c3ccccc3Cl)C(=O)N(c3ccccc3Cl)C2=O)cc1 1863079985 PPEDEYTXUZKBGS-UHFFFAOYSA-N 434.282 5.262 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H](C)c2ccccc2)=C(c2ccc(OCC)cc2)C1=O 1863569244 MJTMKYIIYWHVOM-OAQYLSRUSA-N 448.607 5.877 30 10 IKEE CCCCCCCCN1C(=O)C(NCCc2ccccc2)=C(c2ccc(OCC)cc2)C1=O 1863569395 SLJRJNWPOASFOT-UHFFFAOYSA-N 448.607 5.358 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccc(OC)cc2)=C(c2cc(C)ccc2C)C1=O 1863741405 OTVAKSLJGUJJGG-UHFFFAOYSA-N 448.607 5.542 30 10 IKEE Cc1ccc(-c2nc(Nc3ccc(C(=O)Nc4cccc(C#N)c4)cc3)sc2C)cc1C 1865783634 WFUWAAKXYNORRW-UHFFFAOYSA-N 438.556 6.603 30 10 IKEE Cc1ccc(C)c2c1C[C@H](C)CN2c1cc(Nc2ccccc2C#N)nc(-c2ccccc2)n1 1868373471 VZXWLHJMZZCGCA-IBGZPJMESA-N 445.570 6.706 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC[C@H]2c2nc3ccccc3s2)nc(C(C)(C)C)n1 1869170937 DOIZYTAEIGQVJP-IBGZPJMESA-N 433.625 5.904 30 10 IKEE C=CCN(CC=C)c1cc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)nc(C(C)(C)C)n1 1869188547 USVHSMSGBUEKOH-HXUWFJFHSA-N 426.992 5.184 30 10 IKEE N#Cc1nnn(-c2ccc(Cc3ccccc3)cc2)c1NC(=O)c1ccc(Cl)c(Cl)c1 1870137517 PTANKIJGODUQST-UHFFFAOYSA-N 448.313 5.289 30 10 IKEE CCCCc1ccc(-n2nnc(C#N)c2NC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 1870145415 YPIMWQIDGGTLHX-GOSISDBHSA-N 431.540 5.011 30 10 IKEE CCCCCCCOc1cn(Cc2ccncc2)c(CNc2ccc(OC)cc2)cc1=O 1870835744 HFDLGVGDSSWTCW-UHFFFAOYSA-N 435.568 5.262 30 10 IKEE CCCCCCCOc1cn(CCc2cnc[nH]2)c(CNc2cc(C)ccc2C)cc1=O 1870836818 WVQQSDARNNJZSF-UHFFFAOYSA-N 436.600 5.392 30 10 IKEE Cc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2Cc2ccccc2C)cc1 1871250450 FMPHKKKUFZMDTG-UHFFFAOYSA-N 449.554 5.576 30 10 IKEE Cc1cc(Cl)ccc1NCc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCC(C)C 1871252167 NOTHNHYCYFTWCL-UHFFFAOYSA-N 449.982 5.919 30 10 IKEE CCCCCCCCCCNC(=O)CN1C(=O)C(C)(C)c2cc(Br)ccc21 1871323011 BHGSZDFANKOYNR-UHFFFAOYSA-N 437.422 5.330 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc(OC(=O)c3ccc(F)c(F)c3F)c2C)C1=O 1871370635 WKYSVKVPRLRDIV-SXGWCWSVSA-N 430.403 5.618 30 10 IKEE O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc2c(c1)O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 1871375136 UVZXFWGFUAVRKL-ONFJSNPYSA-N 447.830 5.483 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(F)c2)C3=O)cc1[N+](=O)[O-] 1871375177 XGYGSFNWMQRHND-NHDPSOOVSA-N 433.391 5.186 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(OC)c2)C3=O)CC1 1871383598 UURUYPNKMUYWIX-UQQQWYQISA-N 448.559 6.522 30 10 IKEE O=C1/C(=C/c2cccc(F)c2)Oc2c1ccc(O)c2CN1CCC(Cc2ccccc2)CC1 1871395038 CZVZJDPHKXGSTH-ONUIUJJFSA-N 443.518 5.602 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCCCOc4cccc(C)c4)ccc3C2=O)cc1OC 1871404400 ALWZTYTWBDLKEO-QQXSKIMKSA-N 446.499 5.476 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccc(C)cc3C)cc(C)c2C1=O 1871418636 DMIIDSXXSSWSPS-CFRMEGHHSA-N 443.499 5.254 30 10 IKEE Cc1cc(OCC(=O)OCC(C)C)cc2c1C(=O)/C(=C/c1ccc(-c3ccccc3)cc1)O2 1871427865 XDYQOYIESGEZRK-QFEZKATASA-N 442.511 5.856 30 10 IKEE CC(=O)Nc1ccc(C(=O)COc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871432533 KAVJCEKQWINCNB-MSXFZWOLSA-N 447.874 5.176 30 10 IKEE CCc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871454129 IMXBFWYZXLCYFZ-UCQKPKSFSA-N 431.463 5.330 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3cccc(Cl)c3)cc(C)c2C1=O 1871454881 YIRJPFRRDXEYBY-JJFYIABZSA-N 449.890 5.291 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1cccs1 1872457474 WIJGJYXDALRFKN-SFHVURJKSA-N 441.018 5.084 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cc(Cl)ccc1C)[C@@H](C)CC)S(=O)(=O)CCCC 1872472023 KXFSTPLVLUMVOE-OXJNMPFZSA-N 429.026 5.010 30 10 IKEE COc1ccc(OC)c(-c2csc([C@H](C#N)C(=O)COc3ccc(Cl)c(C)c3)n2)c1 1872771130 MROPKKGYAIXDOS-QGZVFWFLSA-N 442.924 5.044 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@H](C#N)C(=O)c3cccc(Br)c3)n2)c1C 1872778861 WJFPXKBXPLCAIK-GOSISDBHSA-N 439.378 6.296 30 10 IKEE N#C[C@H](C(=O)C(Cl)(Cl)Cl)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872779890 TZMCSGUZTKMVLU-OAHLLOKOSA-N 437.735 6.149 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)c2ccc(-n3cccc3)cc2)n1 1872785235 IXYOXKWOMJTWTQ-QHCPKHFHSA-N 439.584 6.697 30 10 IKEE CCCCCCCCCCNC1=C(c2cccc(OC)c2)C(=O)N(Cc2ccccc2)C1=O 1873043840 MTCNBCKKZKHRBB-UHFFFAOYSA-N 448.607 5.706 30 10 IKEE CCCCCCCCC(=O)Nc1nc(-c2cccs2)c(NC(=O)c2ccccc2)s1 1873454668 MPODGYZHXHBAHV-UHFFFAOYSA-N 441.622 6.813 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(F)cc2)cc2c(NCc3ccc(Cl)cc3)ncnc21 1873637774 OHDSVUUWRXHFIA-UHFFFAOYSA-N 435.890 5.274 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(CCCC)cc1)n2CCC 1873656697 IBIWVSJWYFQICN-UHFFFAOYSA-N 431.584 5.615 30 10 IKEE CCOc1ccc(/C=N/n2c(CCCOc3ccc4ccccc4c3)nnc2SC)cc1 1874198175 QOODXMFJICRWAQ-NLRVBDNBSA-N 446.576 5.446 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1cccc(F)c1 1874207394 KCAHNPCAEHWWMS-FSJBWODESA-N 445.361 5.321 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccc(OCC)cc1 1874264506 ATNUMFUEWOXDNF-OEAKJJBVSA-N 430.961 5.294 30 10 IKEE CCCCC1CCC(c2nnc(SCC(=O)OCC(C)C)n2/N=C/c2ccco2)CC1 1874286442 GKPIBEMLGRZQJX-ZVHZXABRSA-N 446.617 5.509 30 10 IKEE Oc1ccccc1/C=N/n1c(SCc2ccccc2F)nnc1-c1ccccc1Cl 1874365617 LTTRUGWCLCBNQH-DHRITJCHSA-N 438.915 5.618 30 10 IKEE Fc1ccc(CSc2nnc(CCc3cccs3)n2/N=C/c2cccc(F)c2)cc1 1874368515 FAVWEMVAVSVLAR-AFUMVMLFSA-N 440.544 5.578 30 10 IKEE CC(C)c1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2)cc1 1874379898 RLTOFMWUXPQEPK-OGLMXYFKSA-N 444.579 6.306 30 10 IKEE CCSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874380196 HPSNEBKUPZEGOR-WPWMEQJKSA-N 446.551 5.581 30 10 IKEE COc1cccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2F)c1 1874417069 WLNQWECYIWFNPM-WGOQTCKBSA-N 432.524 5.191 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2)c1 1874428186 VWRKVSSDOKVIHG-NLRVBDNBSA-N 428.561 5.908 30 10 IKEE COc1cc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C(C)(C)C)ccc1O 1874485217 JXQIPBYKERMESN-FSJBWODESA-N 430.961 5.118 30 10 IKEE C=C(C)CSc1nnc(COC)n1/N=C/c1ccc(N(CC)Cc2ccccc2)cc1 1874501734 WTBIWWSOEMDDCX-MFKUBSTISA-N 435.597 5.001 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2ccc(C(C)(C)C)cc2)cc1 1874511870 FIUFQXXIDCFOCZ-CVKSISIWSA-N 449.624 5.620 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CC)nnc2SCc2ccc(F)cc2)cc1OC 1874523682 ANKUJTQGESQWEN-MFKUBSTISA-N 442.560 5.342 30 10 IKEE Fc1ccc(COc2ccc(/C=N/n3c(S)nnc3CCc3cccs3)cc2)cc1 1874561995 VTMIYUWARNCJRI-ZVHZXABRSA-N 438.553 5.014 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)NC2CCCCC2)cc1 1874583868 KUEAUXQUNHZNNI-WYMLVPIESA-N 439.983 6.187 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1OCC(=O)Nc1ccccc1 1874597053 RHQAFQBPUOQLTL-MHWRWJLKSA-N 443.543 5.906 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc1OCc1cc(C)ccc1C 1874601077 RSQRFHPSAASPOX-JXMROGBWSA-N 436.935 6.449 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OCC(=O)OCC(C)C 1874603406 PWNLRYRNSNTNHT-UKTHLTGXSA-N 432.516 5.713 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(OC)c1OCc1ccccc1C 1874604750 CTICMLNNFUHNHX-SAPNQHFASA-N 426.556 6.770 30 10 IKEE CCOc1c(Br)cc(/C=C/C(=O)c2ccc(Br)cc2)cc1OC 1874608055 UQRTWYPFSVRRQJ-RUDMXATFSA-N 440.131 5.515 30 10 IKEE C=C(C)COc1c(Br)cc(/C=C/C(=O)c2ccccc2Cl)cc1OCC 1874608326 IDLGIYZYHMHJHA-MDZDMXLPSA-N 435.745 6.352 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)cc(Cl)c1OCC(=O)OCC(C)C 1874611697 QACMYPWGATZDOB-ZHACJKMWSA-N 446.927 5.221 30 10 IKEE CCCOc1c(Br)cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1OC 1874638133 JXFGLXHEVVWCQU-QPJJXVBHSA-N 444.152 6.449 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OCc1cccc(C)c1 1874638410 YHMAHQFLSWBFIS-YRNVUSSQSA-N 441.354 7.176 30 10 IKEE Cc1nc2ccc(C(=O)Oc3cccc(/C=C/C(=O)c4ccc(Cl)cc4)c3)cc2nc1C 1874700741 JZKRCUBKYQOABY-AWNIVKPZSA-N 442.902 6.015 30 10 IKEE CCCCCCCCC(=O)Oc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC 1874701057 ZODIMPUNXGNHAA-MHWRWJLKSA-N 428.956 6.901 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OC(=O)c1ccc(C)c([N+](=O)[O-])c1 1874701288 KUKCVYBRHCSDOZ-YRNVUSSQSA-N 445.471 5.644 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3cc(C)ccc3C)c2)cc1 1874701607 BERKSRWSISVARF-XNTDXEJSSA-N 428.528 6.136 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OCC 1875110227 AQIGQSKQRSSMQT-BMRADRMJSA-N 442.983 7.291 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1[N+](=O)[O-])c1cccc(F)c1 1875113640 QWQDIBFDTXMCOM-CSKARUKUSA-N 425.799 5.503 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])c(Cl)c1 1875118996 YPGCURITUXTLET-ZRDIBKRKSA-N 437.835 5.372 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1)c1cccc(Cl)c1 1875123512 PVGBHLIPWJXRSZ-IZZDOVSWSA-N 442.254 6.017 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Br)c1OC(=O)C(C)C 1875126731 VMNAXLKWUQZDIV-RUDMXATFSA-N 437.717 5.569 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)CC(C)(C)C)c(OC)c2)cc1 1875129175 NQQGGZDGWNERKF-KPKJPENVSA-N 430.928 5.985 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)c1ccccc1[N+](=O)[O-] 1875129338 WUYCDHYOKHXBBM-CCEZHUSRSA-N 443.455 5.447 30 10 IKEE CCCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2ccc(OCCC)cc2)cc1OC 1875137559 SLHWEDGZVZYWHY-NTEUORMPSA-N 426.509 5.484 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)c1cncc(C)c1 1875138272 RQACSNCPSRZILW-CMDGGOBGSA-N 431.488 5.139 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)Cc1ccc(F)cc1 1875140666 QXKQPOCDPHGCQN-UKTHLTGXSA-N 432.491 5.885 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC(=O)CSc1ccccc1 1875144431 RTUNTAZJGGELGC-ZRDIBKRKSA-N 448.540 5.606 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(F)cc1F 1875159020 YGGLZRBQPNRZMU-QDEBKDIKSA-N 426.390 5.618 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1Cl 1875162319 HRVVYLAJQKDZLP-UKTHLTGXSA-N 434.910 7.170 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OC(=O)C(C)(C)C)c(Br)c2)c1C 1875169302 OWKCCBBNEWSDOH-CSKARUKUSA-N 443.381 6.530 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2ccc(F)c(C)c2)cc1 1875169942 VJAVAUQTTWSZND-XYOKQWHBSA-N 432.491 5.804 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2Cl)cc1 1875175252 GPCRZLLEZWXMKW-GXDHUFHOSA-N 446.974 6.954 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2OC)ccc1OC(=O)c1ccccc1 1875176216 CANUOGBXLSRQPV-GXDHUFHOSA-N 432.472 5.218 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3c(F)cccc3Cl)cc2)c(OC)c1 1875179136 VBESADSXLSXNIG-MDWZMJQESA-N 440.854 5.612 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc3c(c2)OCO3)cc1 1875192184 XWRPDCNKSZHWRG-RUDMXATFSA-N 436.847 5.193 30 10 IKEE O=C(C=C1CCCCC1)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875653181 WQZNLHNXCDUTHL-GDLZYMKVSA-N 442.555 6.338 30 10 IKEE Cc1nn(C)c(Br)c1[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1891065239 HCMFIIRQPBTLAI-AWEZNQCLSA-N 439.741 5.151 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@](C)(O)c1ccc(OCc2ccccc2)cc1 1922073070 ALUHHXDCCZZUNX-FQLXRVMXSA-N 445.603 5.614 30 10 IKEE CC1(C)CC[C@H](Nc2ccc(C#N)cc2Br)[C@@H](CNC(=O)OC(C)(C)C)C1 1927072039 XBKKNRSVOZYBJA-WBVHZDCISA-N 436.394 5.452 30 10 IKEE C[C@H](C1CC1)N(Cc1ccccc1)c1ncc(B2OC(C)(C)C(C)(C)O2)c2ccsc12 2052612900 SCHRTYBOEBZIIN-QGZVFWFLSA-N 434.414 5.401 30 10 IKEE CCCCCCC[C@@H](NC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071252030 JWLDUEMPKQHLQY-HHHXNRCGSA-N 431.620 7.466 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)[C@@H]1C(C)(C)C 2076161251 KKHVQUQEERGZFR-MHECFPHRSA-N 447.551 5.495 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)CC[C@@H]1C 2076318229 NYXVZGVWELCXHB-DFBJGRDBSA-N 443.588 5.666 30 10 IKEE C=CCC1(Oc2cc(NC(=O)OC(C)(C)C)ccc2N)CCN(C(=O)OC(C)(C)C)CC1 2078071232 XNWOLMZZIMURJD-UHFFFAOYSA-N 447.576 5.340 30 10 IKEE Fc1ccc(C(F)(F)F)cc1-c1c(C2CCC2)nn(C(F)(F)F)c1Br 2080876108 GPYCTKWCPJOAIA-UHFFFAOYSA-N 431.149 6.214 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCN(C(=O)OC(C)(C)C)C12CCCCC2 2083808219 AEUGXOXMMOSSEM-RUZDIDTESA-N 449.636 5.876 30 10 IKEE CC1(C)OB(c2ccc(C(F)(F)F)c(N(Cc3ccccc3)CC3CCC3)c2)OC1(C)C 2116145776 OELJXAHTBJTQJB-UHFFFAOYSA-N 445.334 5.811 30 10 IKEE CN1[C@H]2CC[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c1ccc(Br)cc1)CC2 2154186433 JOVVEVLCDQTUNF-MDKPJZGXSA-N 434.378 5.100 30 10 IKEE C[C@@H]1CC[C@]2(CSC(=Nc3c(Br)cc(Cl)cc3Br)N2)C1 2194675128 ZJIFSJZVDZZBDR-XLKFXECMSA-N 438.616 5.748 30 10 IKEE CN(C(=O)OC(C)(C)C)[C@H]1CCCC[C@H]1N(C)c1cc(Br)cc(F)c1C#N 2203605765 GXXAISTZOSTDEC-SJORKVTESA-N 440.357 5.074 30 10 IKEE CC1(C)OB(c2cscc2CN(Cc2ccccc2)CC2CCCCC2)OC1(C)C 2214610857 SMLXYVAXAVSBRF-UHFFFAOYSA-N 425.447 5.630 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1sc(C)c(C)c1Br 2229310406 YVRPWMDFSGPAMR-NVXWUHKLSA-N 443.451 5.475 30 10 IKEE C=CCN(CC[C@@H](NCCC)c1cc(Cl)cc(Cl)c1Cl)C(=O)OC(C)(C)C 2235595682 WKEBLLVEAYTKRC-QGZVFWFLSA-N 435.823 6.501 30 10 IKEE CN[C@@H](C#Cc1ccc(C)cc1)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2239637665 GDGLHVIDCHIUCX-FQEVSTJZSA-N 429.358 5.417 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2257337334 FDVJHXYMFULBNR-LWTKMMONSA-N 441.572 5.404 30 10 IKEE C=CCCCCC[C@H](NC)[C@](C)(O)c1cc(Br)c(Br)s1 2281234893 GCEIRSXWGUSGAQ-WFASDCNBSA-N 425.230 5.205 30 10 IKEE Cc1ccc(SC2=CC(=NS(=O)(=O)c3cc(C)ccc3C)c3ccccc3C2=O)cc1 2293092053 ZFRALANELFGRLF-UHFFFAOYSA-N 447.581 5.662 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)C1(C)CCN(Cc2ccccc2)CC1 2296268553 GEYIMQZFDVODPK-QHCPKHFHSA-N 425.414 5.081 30 10 IKEE Brc1cccc(-c2nc3cc(N=CC=Cc4ccc5c(c4)OCO5)ccc3o2)c1 2297455301 PKDUHMHSMTVTIK-UHFFFAOYSA-N 447.288 6.402 30 10 IKEE C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)C(=Cc3cccc(Cl)c3Cl)C[C@H]12 2297480172 ANTLLZHQDMIOLB-KDUYDQRMSA-N 447.446 6.959 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1cccc([N+](=O)[O-])c1)C2=O)c1ccc(Cl)cc1 2314438413 RSFHEKGTKSDEOS-UHFFFAOYSA-N 435.819 5.126 30 10 IKEE CC(C)Cc1nnc(S)n1N=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12 2321906780 GSEXUSPFTHRCTL-UHFFFAOYSA-N 434.540 5.519 30 10 IKEE COc1ccccc1CN1COc2ccc3c(c2C1)OC(=Cc1ccccc1Cl)C3=O 2321993697 BPVFPHVAMJTFHU-UHFFFAOYSA-N 433.891 5.317 30 10 IKEE CCCOc1ccc(C=Nn2c(S)nnc2COc2cc(Cl)ccc2Cl)cc1 2322256154 OOKRHZPIFUAJDK-UHFFFAOYSA-N 437.352 5.124 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1cccc([N+](=O)[O-])c1)C3=O)CN([C@H](C)c1ccccc1)CO2 2322371248 HVSKCPFUJSUVQF-QGZVFWFLSA-N 442.471 5.433 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(F)cc2F)c1OCCc1ccccc1 2322501863 LRPDIKGXSIVQSQ-UHFFFAOYSA-N 428.862 6.144 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1ccccc1Cl)c1ccc2c(c1)OCCO2 2322671545 DASQDSHLNCVGSN-UHFFFAOYSA-N 441.310 6.240 30 10 IKEE C=CCOc1ccc(Br)cc1C=CC(=O)c1cc(OCC)ccc1OCC 2322860320 GZJGPEMUHJBHEO-UHFFFAOYSA-N 431.326 5.707 30 10 IKEE Cc1ccc(NC(=O)COc2cccc(C=CC(=O)c3ccc4c(c3)CCCC4)c2)c(C)c1 2323054854 HMGSVVNQCHNMNX-UHFFFAOYSA-N 439.555 6.096 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OCc3ccc(Cl)cc3)c2)c(OCC)c1 2323286101 NVIBCPZCJYCIFU-UHFFFAOYSA-N 436.935 6.613 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)c(OC)c2)cc1 2323485342 SRKVDROLWDJAOV-HXUWFJFHSA-N 443.543 5.410 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OC(=O)C=Cc3ccc(C(C)C)cc3)ccc2C1=O 2323503082 KCKZMDRPCUCXTM-UHFFFAOYSA-N 430.525 6.415 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cc(C)cc(C)c3)c(OC)c2)cc1 2323648428 BJJVSGBPFACATK-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(OC)c1OCc1cc(C)ccc1C 2323790143 NVPYFLXVXFMURE-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE C=CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2323865312 KGRRUCWIEAICSW-UHFFFAOYSA-N 446.886 6.049 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1cccc(Cl)c1 2323895665 KBYRPNYZQNIQIT-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OCC(=O)Nc2cc(C)cc(C)c2)cc1 2323990968 BBUZANGYQQDTOP-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Cl)c1OCc1ccc(Cl)cc1 2324234777 PRUQYTPUSKXVGR-UHFFFAOYSA-N 449.280 6.755 30 10 IKEE CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1sccc1C)C2=O 2324325161 WXDDLTZEHYALFQ-INIZCTEOSA-N 449.528 5.477 30 10 IKEE COc1cccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(Cl)c(Cl)c3)n2)c1 2324383512 SVZZYSMFPDLWML-MRXNPFEDSA-N 429.328 6.015 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OCC(=O)N[C@@H](C)c1ccccc1 2324455984 GACYUGFROQEXDA-NRFANRHFSA-N 443.543 5.464 30 10 IKEE CCCOC(=O)[C@@H](CC)Oc1cc(C)c2c(c1)OC(=Cc1ccc(Cl)cc1Cl)C2=O 2325092470 WFNOMLANJPEEBU-GOSISDBHSA-N 449.330 6.029 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1cn(C)c2ccccc12 2325532668 IAWYBPCIRNIPJF-UHFFFAOYSA-N 438.000 5.940 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)c2ccccc2F)c1 2325756167 SIKMPALLXJKYRI-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE CCCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1ccccc1Cl 2327026482 FSJTVIDOJZKHNK-UHFFFAOYSA-N 428.989 5.636 30 10 IKEE CCSc1nnc(CCc2ccccc2OC)n1N=Cc1ccc(Cl)c(Cl)c1 2328685547 PGLXDQIFPQBYAC-UHFFFAOYSA-N 435.380 5.373 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccco2)cc1C 2328777799 BLYAUMDTOMYPEP-UHFFFAOYSA-N 436.512 5.381 30 10 IKEE CCCSc1nnc(CCc2ccccc2C)n1N=Cc1cccc(Br)c1 2329500919 CJFGMORJRHUCNT-UHFFFAOYSA-N 443.414 5.519 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(C)c3)n2N=Cc2sccc2C)cc1 2329947298 DFJIXHAWEPCGOS-UHFFFAOYSA-N 432.618 6.030 30 10 IKEE Fc1cccc(C=Nn2c(Cc3cccs3)nnc2SCc2cccc(Cl)c2)c1 2330438517 HSDMTDYYQZWNKN-UHFFFAOYSA-N 442.972 5.897 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1cc(C)cc(C)c1 2330642844 JWIBGOGIBWHECS-UHFFFAOYSA-N 445.471 5.726 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCc3cc(C)ccc3C)nnc2-c2ccccc2)c1 2330672157 CAFHYNFENDQJGT-UHFFFAOYSA-N 428.561 5.750 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3-c3ccccc3)cc2)c1 2330776887 HTHLOKMPHKDZTE-UHFFFAOYSA-N 434.491 6.478 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc(Cl)ccc3Cl)cc2)cc1C 2330855690 BTMPZDDYKHKQAG-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)C3CCCC3)c(Br)c2)cc1C 2330865839 VQTCGRNDHDRPAK-UHFFFAOYSA-N 443.337 5.758 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(C=CC(=O)c3ccccc3Cl)cc2[N+](=O)[O-])c1 2330934163 RKKJATWEAMYAOV-UHFFFAOYSA-N 435.863 5.980 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)ccc1OC(=O)COCc1ccccc1 2330979932 NQVCWAAEKLMMQT-UHFFFAOYSA-N 446.499 5.112 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1ccccc1OC 2331344670 DVBUNGBUMWWRTG-UHFFFAOYSA-N 434.463 5.657 30 10 IKEE CCCCc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1ccc(C(C)C)cc1 2331351256 DHASZSXPDGVTFT-UHFFFAOYSA-N 449.624 5.035 30 10 IKEE COc1ccccc1C=Nn1c(SCc2c(F)cccc2Cl)nnc1C(C)(C)C 2331416323 BKLFNJXYNMPUSV-UHFFFAOYSA-N 432.952 5.551 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)c1ccc(C)cc1 2331492733 LJEQVTNTPZLGAS-UHFFFAOYSA-N 444.527 6.251 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CCC2)c1 2331539267 GBIIQPQMSGJRIP-UHFFFAOYSA-N 426.973 5.772 30 10 IKEE O=[N+]([O-])c1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CCC2)cc1 2331539365 WCBLLQZIWUXJFG-UHFFFAOYSA-N 427.917 5.282 30 10 IKEE Fc1ccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CCC2)cc1 2331541949 YSFZHAAMNLZGMZ-UHFFFAOYSA-N 435.355 6.166 30 10 IKEE C[C@H](C(=O)Oc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1[N+](=O)[O-])c1ccccc1 2331562383 SOIQEGBICWVDKT-HNNXBMFYSA-N 437.398 5.478 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2cc(Cl)c(OC(C)=O)c(OCC)c2)c1 2331682866 KBJBZGUCDLWIBU-UHFFFAOYSA-N 432.900 5.358 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1Cl 2331705871 XDRGQZUEKGQDBD-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE CCCCCCCC[C@H](N)Cc1ccc(I)c(Br)c1 2349911250 WRCSMXDZXJFCGV-AWEZNQCLSA-N 438.191 5.674 30 10 IKEE CC1(C)OB(/C=C/c2ccc(NC[C@]34CC[C@H]3CN(Cc3ccccc3)C4)nc2)OC1(C)C 2365062573 MCDDVWCYQLZDDY-FKTHHDTRSA-N 445.416 5.050 30 10 IKEE C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)C)cc2)S/C1=N\c1cccc(C(C)=O)c1 996866 PPRTURXVOAQUBA-YMVPSHTBSA-N 449.576 5.159 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C/C1=Cc3ccccc3OC1)C2=O)c1ccccc1Cl 2138087 CCNZNRUGWYXXLW-FSJBWODESA-N 430.843 5.494 30 10 IKEE C=CCN1C(=O)/C(=C/c2cc(OC)c(OC(C)C)cc2Cl)N(c2ccccc2)C1=S 2799448 HYWBRNUFGZTPBS-UNOMPAQXSA-N 442.968 5.296 30 10 IKEE COc1ccc(Cl)cc1N1C(=O)/C(=C\c2sccc2C)N=C1SCCCC#N 9580655 LYZNASZRFWIKSW-NTCAYCPXSA-N 431.970 5.499 30 10 IKEE CC[C@H](Sc1cc(C)c2ccccc2n1)C(=O)Nc1c(C#N)cnn1-c1ccccc1 32528506 CCLSTLSZPQGFDQ-NRFANRHFSA-N 427.533 5.110 30 10 IKEE N#Cc1c(-c2ccc(Cl)cc2)nc(SCc2ccccc2)n(Cc2ccccc2)c1=O 34768752 ZNDJJRXYSLPQCX-UHFFFAOYSA-N 443.959 5.776 30 10 IKEE C=CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCC)c2)SC1=S 35446394 DCIIQGUSMIKEJP-QNGOZBTKSA-N 447.585 5.325 30 10 IKEE C/C(=N/OCc1cccc(F)c1)c1cc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)c1C 35843429 GKKGELWVQXBLCN-LQNQUEJISA-N 434.461 6.811 30 10 IKEE COc1ccc(-c2nnc(SCc3ccc(C#N)cc3)n2-c2ccccc2C)cc1OC 35847484 KKEXUTGGIQODFN-UHFFFAOYSA-N 442.544 5.424 30 10 IKEE C=CCC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C1CC1 36304493 RTNKCNRXZROLDB-HSZRJFAPSA-N 447.579 5.273 30 10 IKEE Cc1ccc(C)c(COc2ccc3c(c2)O/C(=C\c2ccccc2Br)C3=O)c1 38202558 NZSZRWPZYKBJQR-FMCGGJTJSA-N 435.317 6.261 30 10 IKEE O=C1/C(=C/C(Cl)=C/c2ccccc2)S/C(=N/c2nccs2)N1C1CCCCC1 39865121 GFUPSPWZRYUOGA-OKLPQWAESA-N 429.998 6.203 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3ccc(F)cc3)C4)C2=O)cc1 41587360 COQOJGFOGXBJTQ-MSXFZWOLSA-N 445.490 5.501 30 10 IKEE CC(/C=N\N=C1\S/C(=C\c2ccccc2F)C(=O)N1Cc1ccco1)=C\c1ccccc1 47138847 LUQPNGUDHMEXCB-MLUFDKFPSA-N 445.519 5.981 30 10 IKEE CCCCCCCCCCCCCCCCCCNC(=O)N[C@@H]1CCS(=O)(=O)C1 59568201 FHRAWYSPIRVPJX-JOCHJYFZSA-N 430.699 5.734 30 10 IKEE CCOc1ccc(C(=O)/N=C(/NCCc2c[nH]c3ccccc23)Nc2ccc(C)cc2)cc1 66437765 VORWOTXLHLBCLV-UHFFFAOYSA-N 440.547 5.316 30 10 IKEE COc1ccc(CO/N=C(\C)c2cc(-c3ccccc3)n(-c3cccc(Cl)c3)c2C)cc1 97632259 BRZJRBPXCAOGQS-VUTHCHCSSA-N 444.962 7.056 30 10 IKEE CCCCCCCOc1ccc([C@@]2(CC)Nc3ccccc3C(=O)N2Cc2ccco2)cc1 100141598 ZHAFEWAXOXEZQB-NDEPHWFRSA-N 446.591 6.960 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)cc1 100301924 LOLHLQWTNGVNIQ-DEOSSOPVSA-N 438.568 5.197 30 10 IKEE CCCCCCCCCCCn1c(CCNC(=O)c2ccc(C)cc2)nc2ccccc21 102139015 BZZUYNTXYXMNSX-UHFFFAOYSA-N 433.640 6.848 30 10 IKEE CCCCCCCCCCCn1c(CCCNC(=O)c2cccs2)nc2ccccc21 102148446 UDJZGUNFDPVCAE-UHFFFAOYSA-N 439.669 6.991 30 10 IKEE CCCCCCCCCCCC(=O)N(Cc1cccc(OS(=O)(=O)CC)c1)C(C)C 102999494 HUJRPKVBOCKMMM-UHFFFAOYSA-N 439.662 6.073 30 10 IKEE COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C/C=C\c2ccccc2OC)C3=O)c1 103018920 GJIBXGDDPKVINT-UTFMSIPFSA-N 428.440 5.095 30 10 IKEE CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](O)CNc1ccccc1 111438804 ZSQHZTSVIIYJNV-ZMXFDXOUSA-N 431.661 7.040 30 10 IKEE FC(F)(F)c1cccc(NC(=S)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 112055073 KVHIGPUQZACUHS-UHFFFAOYSA-N 432.311 6.552 30 10 IKEE CCCCCCOc1ccc(/C=N\n2c(S)nnc2Cc2cccs2)cc1OC 169914112 ULTXCVVDZHJSMO-JCMHNJIXSA-N 430.599 5.069 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cccc2ccccc12 170045974 FSILEEIBPQZPQI-XMMPIXPASA-N 429.516 5.071 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(OC(C)C)cc2)[C@@H]1c1ccccc1 170053553 XUWXGFOMNCUYMJ-XMMPIXPASA-N 443.499 5.265 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccccc2F)c1 170069126 PEKRTUIZXFEDPK-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2cccc(O)c2)cc1C 170080822 WTVQPYAEYJJOEH-DEOSSOPVSA-N 443.499 5.109 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(OC)cc1 170116751 OIMIEXHZZZWMQQ-DEOSSOPVSA-N 429.516 5.617 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1cccc(OC)c1 170121137 OHJHLODKOHIENF-HSZRJFAPSA-N 437.536 5.251 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(O)cc2)cc1C 170131779 GRFFPBMRFWQJNJ-QHCPKHFHSA-N 447.462 5.021 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccc(C)c2)cc1C 170142923 HHRRQYDCGLMKBG-XMMPIXPASA-N 427.500 5.403 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)c(OC)cc3C)[C@@H]2c2cccs2)c1 170154083 CQBZYYCWGIHXDT-QFIPXVFZSA-N 449.528 5.165 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)cc(OC)c3o2)[C@H]1c1cccs1 170165093 HWWZNTNJZGNGKJ-GOSISDBHSA-N 445.924 5.535 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2OCC)[C@H]1c1cccs1 170165586 JFUCQOSFSYOBNL-OAQYLSRUSA-N 443.565 5.314 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccccn2)cc1 170173989 JSXZZCXAKNOUCS-JOCHJYFZSA-N 448.906 5.305 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccccc1)c1cccc2ccccc12 170221760 SRAVJDNFAJBPAQ-HSZRJFAPSA-N 425.509 5.680 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2)cc1 170233993 DNQQJRBLOYYHBR-DEOSSOPVSA-N 433.548 5.777 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2ccc(F)cc2)c1 170239021 MYCQWUDGKWHBQF-XMMPIXPASA-N 443.474 5.242 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccc(F)cc2)cc1 170239862 RVSBWJKJELXYKV-RUZDIDTESA-N 437.470 6.070 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1ccc(F)cc1 170240395 PJYRKXMMGMVQNE-QFIPXVFZSA-N 435.426 5.065 30 10 IKEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)cc4)[C@H]3c3ccccc3F)ccc2O1 170248320 WQVMMDSHCHCRLF-PSLXWICFSA-N 447.437 5.071 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1c1ccccc1O 170271793 VEOAXYFDSIYNPJ-QHCPKHFHSA-N 425.440 5.230 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(Cl)cc(Cl)c2)[C@@H]1c1ccc(O)cc1)c1cccs1 170339955 WQNJOMKKRMMPNW-GOSISDBHSA-N 446.311 5.543 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(C(C)C)cc2)c1 170377939 VDCHWPRNGBHBQN-HSZRJFAPSA-N 447.556 6.053 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cn(C)c3ccccc23)cc1 170394674 PULYGCCJRVCXKD-VWLOTQADSA-N 436.511 5.524 30 10 IKEE CCc1ccccc1N=C1S/C(=C\c2ccccc2OC)C(=O)N1c1ccccc1CC 252642210 ZJXFXNJPTOKNLR-SBEYKLCGSA-N 442.584 6.629 30 10 IKEE COc1cccc(C=Nc2nc(-c3ccc(C)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)c1O 254611612 BUQGKAQAPLIGJV-UHFFFAOYSA-N 445.500 6.159 30 10 IKEE C=C1[C@H](C)CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 257418101 FPEQZEXTCWHNGF-XNDBHJGMSA-N 426.729 8.025 30 10 IKEE O=C(OCc1ccccc1)N1C[C@H](CS)[C@H](c2cc(Br)ccc2Cl)C1 382693912 OVTMCNXJUWOUTK-RHSMWYFYSA-N 440.790 5.385 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccc(O)c2)cc1 526487453 YMSWJTRPFPRHHC-XMMPIXPASA-N 426.472 5.110 30 10 IKEE Cc1cccc([C@@H]2C(c3ccc(Cl)cc3Cl)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 526490690 OEUVHLOCBVSMKQ-JOCHJYFZSA-N 435.310 6.231 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccc(OC)c2)c1 526514011 AGGDNXDPRLVAOF-XMMPIXPASA-N 426.472 5.023 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)c1 526745147 ZFULCFNHZKSQFG-HSZRJFAPSA-N 447.918 5.912 30 10 IKEE CCc1nnc(SCc2cccc(C)c2)n1/N=C\c1cc(Cl)c(O)c(Cl)c1O 526808588 WTMDWEOFQYFGEN-AFPJDJCSSA-N 437.352 5.041 30 10 IKEE CC(C)c1ccc(/C=C/C(=O)[C@@H]2C[C@@H](NC(=O)c3cc(Cl)cc(Cl)c3)CCN2)cc1 585854822 WVJBCMQAAJWWQD-SBENCIRRSA-N 445.390 5.250 30 10 IKEE CCc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2cccc(C(F)(F)F)c2)cc1 586242756 XJBWGZFWPATKDP-UHFFFAOYSA-N 444.478 5.535 30 10 IKEE N#Cc1ccc([C@@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1Cl 687753336 LVLZHRQPOQVDHV-HSZRJFAPSA-N 446.890 5.266 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@@H](C#N)c1ccc(Br)c(Cl)c1 710721578 VGAARFJHXRMLIX-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE C(=NC1=N[C@@H](c2ccco2)[C@@H](c2ccco2)S1)c1ccc(OCc2ccccc2)cc1 1084169836 FVGCLJVNGAORAS-BJKOFHAPSA-N 428.513 6.456 30 10 IKEE CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@H]2/C=N\c1ccccc1/N=C\[C@H]1C(=O)[C@H]2CC[C@@]1(C)C2(C)C 1084330143 HXEWRZRCECTMFG-FVJGQPLHSA-N 432.608 6.374 30 10 IKEE COc1ccc(Br)cc1[C@H](C#N)OC(=O)[C@@H]1[C@@H](C=C(Cl)Cl)C1(C)C 1088723977 BZVTYPJSGVSKGQ-ZLDLUXBVSA-N 433.129 5.157 30 10 IKEE COc1ccc(C(=O)ON=C2C[C@@]3(C(=O)Nc4cc(C)ccc4C)CC[C@@]2(C)C3(C)C)cc1 1772722778 TUBFKTHOLNQHSS-KAYWLYCHSA-N 448.563 5.680 30 10 IKEE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1C(=NNc1ccc(F)cc1)CCC2 1772750074 WWIKWJSZGTYKQK-UHFFFAOYSA-N 446.309 6.439 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc(N2CCCCC2)cc1 1860729803 PZXCRRJASSBQFU-SFQUDFHCSA-N 440.543 5.477 30 10 IKEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)Sc3nc(-c4cccs4)cs3)cc21 1860808010 ZMWNONBHBBKYNR-CYBMUJFWSA-N 442.587 5.147 30 10 IKEE N#Cc1ccc(NC(=O)c2ccc(NC(=O)c3c(Cl)ccc(Cl)c3Cl)cc2)cc1 1860889260 DETDQPSFNKHEON-UHFFFAOYSA-N 444.705 6.023 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)[C@H](C)Oc1ccccc1C(C)C 1861653080 LACOXDNZWHBRGY-UPVQGACJSA-N 446.676 6.119 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(O)cc1 1862411665 MRFHPMLOQYVYDF-VGSWGCGISA-N 443.490 5.608 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(F)cc1F 1862416735 JYVMHNCDZPWJDF-HXUWFJFHSA-N 435.417 5.402 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCCOC(C)C)cc1 1862431754 NVJROSKOBHHDQK-JOCHJYFZSA-N 441.955 5.296 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccccc2F)c1 1862478703 OOZWICVFGHXOTK-XMMPIXPASA-N 445.490 5.311 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccc(O)cc2)c1 1862490394 UPXKWLZYDPSRCS-MHECFPHRSA-N 427.500 5.349 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccc(F)cc2)c1 1862502420 ZMMGCZUDXOJSQM-HSZRJFAPSA-N 433.454 5.360 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccc(CC)cc2)cc1 1862529360 FCHUOMOUWBUKNE-XMMPIXPASA-N 435.564 5.205 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C23CC4CC(CC(C4)C2)C3)cc1 1862554715 JJEASLLSLLPOGX-RZNVFEIWSA-N 442.559 5.124 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)cc1 1862563329 AOXLJSWANKOTHU-VXWZWFMZSA-N 448.563 5.215 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(CC)cc1 1862590140 BTSMDTDVZNVHMK-DEOSSOPVSA-N 435.564 5.893 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(CC)cc1 1862590141 BTSMDTDVZNVHMK-XMMPIXPASA-N 435.564 5.893 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccccc1Cl)c1cccc2ccccc12 1862653196 ODPSWAZZMWYBHU-DEOSSOPVSA-N 445.946 6.404 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(C(C)C)cc2)=C(O)C(=O)N1CCCCN(C)C 1862662056 ZSXXRMBWIUSYMP-DEOSSOPVSA-N 434.580 5.039 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(Cl)cc2)cc1 1862663265 QDUMVYXHHXUIRJ-UNMCSNQZSA-N 439.939 5.221 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1c(F)cccc1Cl 1862677656 HVACOPPPGCWYBQ-MPKWNAGQSA-N 445.893 5.775 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2cccc(C)c2)cc1 1862687087 GMEDXAJEQAHROL-KOSHJBKYSA-N 427.500 5.343 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(O)c(OC)c1 1862717328 ARTRZBDYUQQNFV-DEOSSOPVSA-N 445.515 5.323 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccccc1 1862722672 WQTAGQMSUPHYHX-RUZDIDTESA-N 441.527 5.359 30 10 IKEE Cc1cc(NC2=C(c3ccc(F)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)ccc1C(C)C 1862768549 SHRQGOQXGXLLLH-UHFFFAOYSA-N 439.490 5.526 30 10 IKEE CCCCCCN1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(OCCC)cc2)C1=O 1863348411 COMNVCUPMWBEBJ-UHFFFAOYSA-N 431.536 5.119 30 10 IKEE CC(C)(C)c1nc(Nc2ccc(C#N)cc2)cc(N2CC[C@@H](c3ccc4c(c3)OCO4)C2)n1 1868355934 SCOIFJWYBWEPQR-LJQANCHMSA-N 441.535 5.112 30 10 IKEE CC[C@@H]1CCCN1c1cc(Nc2ccccc2C#N)nc(-c2ccc(C(C)(C)C)cc2)n1 1868550348 PBXIXZGQRIMQRG-JOCHJYFZSA-N 425.580 6.435 30 10 IKEE CCCCCCCCCCNC(=O)c1cn(-c2cccc(C(F)(F)F)c2)c(=O)cc1O 1870132872 DTLWYZBKZDNWAY-UHFFFAOYSA-N 438.490 5.432 30 10 IKEE CCCCCCCCCCNC(=O)c1cn(-c2cccc(Br)c2)c(=O)cc1O 1870133237 PUCIBAIXDLFJHE-UHFFFAOYSA-N 449.389 5.176 30 10 IKEE CCCCCCCOc1cn(CCC2=CCCCC2)c(CN(CCO)CCCC)cc1=O 1870416790 OUSWUCQHHBOAHD-UHFFFAOYSA-N 446.676 5.682 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(F)cc2)cn1CCc1ccc(C)cc1 1870623415 OLHXHHNLSTTZLP-UHFFFAOYSA-N 446.566 5.292 30 10 IKEE C=CCOc1cn(CCc2c[nH]c3ccccc23)c(CNc2ccccc2CC)cc1=O 1870808945 IDEBTNXMUXPNJM-UHFFFAOYSA-N 427.548 5.312 30 10 IKEE C#CCOc1cn(CCCCCCCCCC)c(CNc2ccc(OCC)cc2)cc1=O 1871006265 XRKQTXKVRRTSTF-UHFFFAOYSA-N 438.612 6.012 30 10 IKEE C=CCn1cc(OCCOc2cccc3ccccc23)c(=O)cc1CNc1cccc(F)c1 1871040770 XGVUMOVCQWTKHA-UHFFFAOYSA-N 444.506 5.397 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccco1)O3)CN([C@H](C)C13CC4CC(CC(C4)C1)C3)CO2 1871350032 HTLKVSBSFSOTOI-BEIIYBKYSA-N 445.559 5.961 30 10 IKEE Cc1c(OC(=O)C(c2ccccc2)c2ccccc2)ccc2c1O/C(=C\c1ccncc1)C2=O 1871371852 MLLOZULLGSORQD-BWAHOGKJSA-N 447.490 5.744 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OC(=O)c4cccc5ccccc45)c3C)C2=O)c1 1871378001 POVLVIQSCSEHAT-XYGWBWBKSA-N 436.463 5.992 30 10 IKEE CCCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccncc2)C3=O)cc1 1871378446 NDRGDDMPPCKTLT-SHGBEGHHSA-N 441.483 5.414 30 10 IKEE CCCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2cccs2)C3=O)cc1 1871378473 OBIZISMGDBLMIS-ROJFHSNZSA-N 432.497 5.772 30 10 IKEE CCCCC(=O)Oc1ccc2c(c1C)O/C(=C\c1cn(CC)c3ccc(OC)cc13)C2=O 1871385070 DODBSSFFOJJXEK-QRVIBDJDSA-N 433.504 5.690 30 10 IKEE Cc1ccc(OCCCCOc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871403259 ICSQMEGIELDUES-XYGWBWBKSA-N 434.919 6.503 30 10 IKEE CC(C)=C1Oc2cc(O[C@@H](C)C(=O)Nc3cc(C(F)(F)F)ccc3Cl)ccc2C1=O 1871407078 MBGFFKRCNKTKJM-NSHDSACASA-N 439.817 5.634 30 10 IKEE Cc1ccc(NC(=O)CCOc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1 1871431658 QPSWIGCMXQMBOV-QQXSKIMKSA-N 441.527 6.142 30 10 IKEE CCOCCOC(=O)[C@@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871434910 VSQPRNGZLXBKQK-NLKUQUHMSA-N 438.520 5.082 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(F)c(F)c2F)ccc2c1O/C(=C\c1cccs1)C2=O 1871442992 JALLNSTUJUZDQT-MFOYZWKCSA-N 445.418 5.108 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(F)cc4)cc(C)c3C2=O)cc1 1871456724 SPIVEVVXAYGMDT-QRVIBDJDSA-N 431.463 5.330 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(CC)cc1)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872081072 WZLIZTRCSPICDQ-DEOSSOPVSA-N 442.625 5.096 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3C)cs2)cc1OC 1872769688 XUNNJKZCCGSLDY-JRMCHAMMSA-N 432.545 5.724 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1C 1872783288 VXKFYHCCZCGZTE-WMLDXEAASA-N 445.371 6.378 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)n2)cc1Cl 1872789298 DOIGSBYQPLQBGX-KZJSRBBCSA-N 439.880 5.270 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc(COc2cccc(Cl)c2Cl)cc1 1872868420 CYNYBSTWCZMSFB-UHFFFAOYSA-N 436.423 7.443 30 10 IKEE Cc1nc(SCc2ccc(C(=O)Nc3ccc(N(C)C)cc3)cc2)c(C#N)c(C)c1C 1872895374 QGOHXYAOQCAARL-UHFFFAOYSA-N 430.577 5.489 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H](CC)CCCCC)=C(c2ccccc2OC)C1=O 1873152623 KGGSNNTXFRKXEE-NRFANRHFSA-N 442.644 6.084 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874283126 PXRCZYFLQRYCOG-YDZHTSKRSA-N 441.944 5.175 30 10 IKEE COc1ccccc1OCc1nnc(SCc2ccccc2)n1/N=C/c1cccc(C)c1 1874288422 DTNPHPHTIDHYTC-WGOQTCKBSA-N 444.560 5.349 30 10 IKEE Clc1ccccc1CSc1nnc(COCc2ccccc2)n1/N=C/c1ccco1 1874355516 NXTHMOMZKMVRKR-ZMOGYAJESA-N 438.940 5.416 30 10 IKEE Cc1ccc(/C=N/n2c(Cc3ccc(C)cc3)nnc2SCc2cccc(F)c2)cc1 1874388169 YPDIXYLXOKCXPA-JVWAILMASA-N 430.552 5.799 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2[C@@H](C)c2ccccc2)c1 1874400973 DZSGJSULLDSRFZ-FQNOVECQSA-N 447.007 6.566 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(Cc2ccccc2)nnc1SCc1ccccc1 1874416740 FYONZAJQAFGSTP-ZXVVBBHZSA-N 440.572 5.608 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccccc3C)nnc2-c2ccccc2)cc1O 1874425900 GPTJBEKUIDOJHP-MFKUBSTISA-N 430.533 5.142 30 10 IKEE CCOc1c(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccccc2)cccc1OC 1874438574 HSYCZSMQSYALII-PCLIKHOPSA-N 438.597 5.449 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2[C@H]2CCCO2)c1 1874451146 SHNIYZJMJIYWBB-QVHMZZSFSA-N 447.391 5.919 30 10 IKEE COc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2[C@H]2CCCO2)cc1 1874453855 UDBLBYHKHPFDKP-QVHMZZSFSA-N 446.935 5.105 30 10 IKEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2-c2ccco2)c1 1874465485 LMMKEFQCUORAMN-AFUMVMLFSA-N 445.548 5.076 30 10 IKEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3c(C)cccc3C)nnc2C2CCC2)cc1 1874495559 RZLAOYSJJNTZNX-CVKSISIWSA-N 447.608 5.338 30 10 IKEE C=CCSc1nnc(CCC)n1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1874508840 YGKCKDFFHMGONQ-OVVQPSECSA-N 442.588 6.123 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccccc3F)nnc2C2CC2)cc1OCC 1874519935 SLTWGCFITCSWJI-AFUMVMLFSA-N 440.544 5.267 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CC2)cc1 1874520308 BMECHZLPFBBVAR-MFKUBSTISA-N 440.016 5.830 30 10 IKEE CCCSc1nnc(CC)n1/N=C/c1ccc(OCc2ccc(C)cc2)c(OCC)c1 1874525695 BEJFXFGMLLYIPR-PCLIKHOPSA-N 438.597 5.511 30 10 IKEE O=C(/C=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 1874575788 GTGPKVLJECPLGL-JLHYYAGUSA-N 438.277 5.832 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Br)cc(Br)c2OC)cc1F 1874582306 ICDJZCXJHQZZGH-HWKANZROSA-N 444.094 5.264 30 10 IKEE CCOC(=O)c1ccc(COc2ccccc2/C=C/C(=O)c2cccc3ccccc23)o1 1874582479 PNYHXARUFHTNHI-JQIJEIRASA-N 426.468 6.085 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(F)c(F)c2)c1OCc1ccc(Cl)cc1Cl 1874584758 FEZIEFXWTZZGHJ-JXMROGBWSA-N 449.280 6.755 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Br)c(OCC)c(OCC)c2)cc1 1874607655 YPAFLJLEOXBNGE-SDNWHVSQSA-N 431.370 6.485 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1)c1cccc(Cl)c1 1874612253 KWTWMKMIQHNSMI-UXBLZVDNSA-N 438.823 5.632 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3)c(Br)c2)cc1 1874613626 FJJANXXTQQWICZ-RIYZIHGNSA-N 437.333 6.323 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(OC)c1OCc1cccc(F)c1 1874621342 DGHRWJNHCJGZKE-CSKARUKUSA-N 446.474 5.767 30 10 IKEE COc1cc(C(=O)/C=C/c2ccc(OCc3cccc(Cl)c3)cc2)c(OC)cc1Cl 1874630379 USHNUTXCZHZSSY-DHZHZOJOSA-N 443.326 6.486 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OC(=O)c1ccc(C)c([N+](=O)[O-])c1 1874703933 OJHQVULROYSBHL-BJMVGYQFSA-N 449.434 5.475 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OC(=O)Cc1ccc(F)c(C)c1 1874713913 UIXJFWSFVNEHIL-YRNVUSSQSA-N 432.491 5.804 30 10 IKEE C[C@H](C(=O)Oc1cccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1)c1ccccc1 1874718547 JQLFUDQQXSQLKT-ISBHARSQSA-N 425.311 6.599 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(C(C)C)cc2)CSc2nnc(C(C)C)n21 1874855756 HBKLZCNZEGDYIG-QFIPXVFZSA-N 442.673 6.587 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(Cl)c1OC(=O)c1ccco1 1875096742 CHSPDHOJWKXHIE-DHZHZOJOSA-N 436.891 5.936 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(Cl)cc3)c(OC)c2)cc1 1875115273 VPNMQYMPLLOZAL-WLRTZDKTSA-N 436.891 5.401 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)Cc1ccc(F)c(C)c1 1875119830 OUFXTSNAWRWVIS-JLHYYAGUSA-N 448.490 5.586 30 10 IKEE Cc1cccc(C)c1OCCCC(=O)Oc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1 1875123380 JBZUUFKJSUCQDB-DTQAZKPQSA-N 448.946 6.618 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)c1 1875137880 JIJHPDYTZQDTNW-XYOKQWHBSA-N 439.338 6.654 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)c1ccccc1C 1875138004 MHMWLCHWSFIYFW-OUKQBFOZSA-N 430.500 5.744 30 10 IKEE O=C(Nc1cc(Br)cc(C(F)(F)F)c1)c1ccc(F)cc1C(F)(F)F 1889902707 LABPNNNNSAQQHO-UHFFFAOYSA-N 430.117 5.878 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)Cc3c(Cl)cccc3Cl)ccc21 1890582543 DXMIYUMRNZKGHM-UHFFFAOYSA-N 433.335 5.112 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CCC[C@@]2(C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 1918330219 SZPOWGRPFGDYQC-DEOSSOPVSA-N 445.535 5.251 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](O)c1ccc(Br)c(Cl)c1 1922067421 BFGWAQMXVUGHRH-SFTDATJTSA-N 438.793 5.277 30 10 IKEE Cc1cc(Br)c(F)c(C(=O)C=Cc2ccc(NC(=O)OC(C)(C)C)cc2)c1 1927265145 PMRWNFBGOBCINS-UHFFFAOYSA-N 434.305 6.140 30 10 IKEE CC[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)CN1Cc1ccccc1 1942581098 QFKBKLQBHJSHNA-NBGIEHNGSA-N 439.987 6.028 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1949111872 PRVOMPZDYGDDTG-PMAPCBKXSA-N 447.963 5.373 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1991919664 NWNXURYWGZOKPZ-ROUUACIJSA-N 435.952 5.373 30 10 IKEE C[C@@H]1CC[C@](C#N)(N(C[C@H]2CCCO2)C(=O)OC(C)(C)C)[C@H](OCc2ccccc2)C1 1998816893 CCTLRVLLZCMJSJ-PTGPVQHPSA-N 428.573 5.070 30 10 IKEE C=CCCCCCCCCC[C@H](O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2026314376 UCTGDKVUOYGYBO-ZEQRLZLVSA-N 433.633 6.154 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)CC12CCCC2 2037761190 YOVYKCTUEPHZMB-VWLOTQADSA-N 447.620 5.772 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)C[C@@H](C)C2)c1 2041559193 HUHSDDVLVZLCSN-DFBJGRDBSA-N 443.588 5.666 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)ccc1Br)NCCC 2063090131 JXBZGXMYHVLPRO-SJORKVTESA-N 431.802 5.093 30 10 IKEE CC[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(OC)cc1 2067962260 GHBZQTSMBSAAKZ-YADARESESA-N 445.560 5.118 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@H](C#N)[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2073117295 BRUDWBRRXABFKZ-QFBILLFUSA-N 447.551 5.495 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]2CN(C(=O)OC(C)(C)C)C(C)(C)C2)cc1 2073118797 NUUNBEDYUQEKRY-UYAOXDASSA-N 443.588 5.664 30 10 IKEE Fc1ccc(C(F)(F)F)c(Cn2nc(C3CCC3)c(Br)c2C(F)(F)F)c1 2078994821 QYZNQYBPAPAFBK-UHFFFAOYSA-N 445.176 6.138 30 10 IKEE Cc1cc(C)c([C@H](n2nc(C(F)F)c(C=NO)c2Br)C(C)(C)C)c(C)c1 2079874589 HJQBSTAPEDMXJG-INIZCTEOSA-N 428.321 5.952 30 10 IKEE CCCOc1ccc([C@@H](n2nc(C(C)C)c(C=NO)c2Br)C2(C)CC2)cc1 2080056101 ORBLBZPNAXEGJK-LJQANCHMSA-N 434.378 5.755 30 10 IKEE C=CC[C@@H](CNC(=O)OC(C)(C)C)COc1ncc(Br)c2ccsc12 2082201754 OLNMOIKUDIBFPM-LBPRGKRZSA-N 427.364 5.155 30 10 IKEE C=C([C@H](NCC)c1ccc(Br)cc1I)[Si](C)(C)C 2086147714 QMPTXGQGIMCHNP-AWEZNQCLSA-N 438.223 5.138 30 10 IKEE C=CCC1([C@H](Cc2cc(Br)ccc2Cl)NC)CN(C(=O)OC(C)(C)C)C1 2110505967 GDYPMXUHKCXJHQ-KRWDZBQOSA-N 443.813 5.046 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)c(Br)c1F)NC 2110506907 NWDTUBYUVNFPTA-CABCVRRESA-N 449.792 5.232 30 10 IKEE CCCN[C@H](C#CC(C)(C)C)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2218399681 FFFQGXTYFJZPOT-YIXXDRMTSA-N 442.644 5.248 30 10 IKEE C=CCCCCCCC[C@@H](N)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2220083349 FUEORKYXNZLFDW-SHQCIBLASA-N 444.660 6.074 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)cc1Cl 2222741513 WIOTYCGPFMNRAK-DLBZAZTESA-N 431.802 5.613 30 10 IKEE C=CCCCC[C@@H](NCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237430552 FKQMRSBKQZYAHU-WOJBJXKFSA-N 439.438 5.609 30 10 IKEE C[C@H](NC(=O)[C@H]1C[C@@H](B2OC(C)(C)C(C)(C)O2)C1)c1ccc(NC(=O)OC(C)(C)C)cc1 2267553329 NFHUPKFJYFOJAF-RYQLBKOJSA-N 444.381 5.083 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc2c1CN(c1c(Br)cccc1C#N)CC2 2285220828 OHPGSFJLQBPNES-UHFFFAOYSA-N 428.330 5.230 30 10 IKEE C=CC[C@]1(COc2cc(Br)c(F)cc2N)CCCN(C(=O)OC(C)(C)C)C1 2287760409 LEJCVUOCZKSZBY-FQEVSTJZSA-N 443.357 5.143 30 10 IKEE Cc1ccc(S(=O)(=O)N=C2C=C(SCc3ccccc3)C(=O)c3ccccc32)cc1 2293031296 ADSZKAGKDYDNBC-UHFFFAOYSA-N 433.554 5.187 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)C(C)(C)[C@H](C)NC(=O)OC(C)(C)C 2296216877 ONBBCBTZGFQCPD-QFBILLFUSA-N 437.422 5.108 30 10 IKEE CCC[C@@]1(C(=O)C#Cc2cccc(Br)c2)CCCN(C(=O)OC(C)(C)C)C1 2296222410 RMUIFXWFNFFOCZ-JOCHJYFZSA-N 434.374 5.187 30 10 IKEE CN[C@@H](C#Cc1ccc(Br)cc1)c1ccc(NC(=O)OC(C)(C)C)c(C)c1 2296288383 GQNMZQDDGSPVJS-FQEVSTJZSA-N 429.358 5.417 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)C[C@H](C)CCNC(=O)OC(C)(C)C 2296296224 LPXYIGYLDZCUID-YLJYHZDGSA-N 437.422 5.110 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)c1cscc1OCc1ccccc1 2296304379 GQOHQCFHZUWVDL-QFIPXVFZSA-N 440.406 6.182 30 10 IKEE Cc1ccc([C@H]2C(=C(O)c3cccs3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 2296925368 AMFJTEDWTWCDRX-FQEVSTJZSA-N 446.553 5.601 30 10 IKEE CC(C)CN(CC(C)C)C[C@H](O)Cn1cc(C=CC(=O)c2cccs2)c2ccccc21 2297359404 QTMRIMFELBWHMJ-QFIPXVFZSA-N 438.637 5.574 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@H](C#N)[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 2304229315 UKHGUNCYSLQMNJ-RTBURBONSA-N 433.593 5.238 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1cccs1)C2=O)c1ccc(Br)cc1 2314438560 XBCHHEMREKTKNS-UHFFFAOYSA-N 441.302 5.389 30 10 IKEE CCN1C(=O)C(=Cc2ccccc2Cl)SC1=Nc1nc(-c2ccccc2)cs1 2314544150 VAUVOPUXHONSPG-UHFFFAOYSA-N 425.966 6.087 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1cc(Cl)cc(Br)c1F 2315466214 TZPNKHLTMBKBHC-HOCLYGCPSA-N 435.765 5.362 30 10 IKEE Cc1ccccc1COc1ccc(C=NNc2oc([C@@H]3C[C@@H]3c3ccccc3)nc2C#N)cc1 2320836873 DMJQITRMLOZLON-JWQCQUIFSA-N 448.526 6.151 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccccc1Cl)O3)CN(CCCOC(C)C)CO2 2322023924 DBQWLXNUCYTFDV-UHFFFAOYSA-N 427.928 5.232 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1OC 2322350145 CJBXRRUDXJHJDU-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(Cl)cc1)C3=O)CN([C@@H](C)c1ccccc1)CO2 2322371242 HFDQWZORPKPEQM-KRWDZBQOSA-N 431.919 6.178 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OC(=O)c4cc5cc(Cl)ccc5o4)c3C)C2=O)c1 2322851591 SHGMNDFSQPOTGF-UHFFFAOYSA-N 444.870 6.538 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OC(=O)Cc4cccs4)ccc3C2=O)cc1 2322867174 AWEKSKDDCJKPKK-UHFFFAOYSA-N 433.529 5.359 30 10 IKEE CCOc1cc(C=NNc2nc3ccccc3s2)ccc1OCc1cccc(Cl)c1 2323153643 OUVHCANOQZEJFJ-UHFFFAOYSA-N 437.952 6.373 30 10 IKEE COc1ccc(OC)c(C=C2Oc3cc(OC(=O)c4ccc(C)c(C)c4)cc(C)c3C2=O)c1 2323247523 HZCXXYBJHAKTTM-UHFFFAOYSA-N 444.483 5.464 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)C=Cc4cccs4)cc(C)c3C2=O)c(OC)c1 2323520844 MFQXWBIVCGVWAZ-UHFFFAOYSA-N 448.496 5.309 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc(C=CC(=O)O)cc4)c3C)C2=O)cc1 2323620284 SSMVQCRPSDIEEF-UHFFFAOYSA-N 440.451 5.237 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OCc1ccc(Cl)cc1Cl 2324261466 POBNTGPVXJKNET-UHFFFAOYSA-N 449.280 6.755 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)ccc1OCCCO 2324331508 VUIOAAGLXKCYMR-UHFFFAOYSA-N 425.308 5.058 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc([N+](=O)[O-])cc3)n2)cc1 2324545893 YKWMERQUXQCBSM-FQEVSTJZSA-N 433.489 5.397 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OCC(=O)Nc1cccc(C)c1 2324567869 XCNQIZWVSVPYED-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE COc1ccc(OC)c(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(C(C)(C)C)cc3)n2)c1 2324583939 VGIXRDXQAHICBE-OAQYLSRUSA-N 446.572 6.014 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1C 2324627274 VOMABAABPAHCGS-NRFANRHFSA-N 443.543 5.464 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OCC(=O)NC2CCCCC2)cc1 2324693581 PJHOKOFFBLRDGW-UHFFFAOYSA-N 427.928 5.072 30 10 IKEE COc1ccc(OCCCOc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1 2324697000 CEWPAPASLRUPSS-UHFFFAOYSA-N 436.891 5.813 30 10 IKEE Cc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 2325441638 WBVIBVOPPOANGT-UHFFFAOYSA-N 430.552 5.685 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccccc2C(=O)O)cc1 2325470983 GZATXTQYXUOBSN-UHFFFAOYSA-N 442.544 5.050 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2cccc(Cl)c2)cc1OC(=O)C1CCC1 2325728177 NKAYUGBXWWVPNQ-UHFFFAOYSA-N 449.728 5.713 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1OC(=O)c1ccc([N+](=O)[O-])cc1 2325729144 ATAMVPHCCFNLJQ-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE CCOc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc(OCC)cc3)c2)cc1 2325735018 OOKOCIBAGPQOET-UHFFFAOYSA-N 446.499 5.365 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OC(=O)CC23CC4CC(CC(C4)C2)C3)c1 2325743548 BDDGVDVBBQODRM-UHFFFAOYSA-N 444.571 6.412 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OC(=O)CCc3ccccc3C)c2)c1 2325744652 ZTRONVNEEGUQCH-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE COc1ccccc1C(=O)Oc1cccc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)c1 2325754080 MROCHQGSKQNWCC-UHFFFAOYSA-N 444.527 6.251 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1OC(=O)c1cnc(C)cn1 2325756508 VRCAWCDWWDMHNJ-UHFFFAOYSA-N 430.504 5.143 30 10 IKEE CCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1N=Cc1sccc1C 2325843250 GEBFPNKJUZLUGJ-UHFFFAOYSA-N 442.654 5.951 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1cccc(F)c1 2325909942 JETMISQDDSIHPM-UHFFFAOYSA-N 439.343 5.687 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1cccc(OC)c1 2326331796 DTTJLYJHAGKFAU-UHFFFAOYSA-N 436.581 5.021 30 10 IKEE CCSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1ccc(C(C)C)cc1 2326380147 UVIVGWHUINVBKB-UHFFFAOYSA-N 436.625 6.024 30 10 IKEE CC(C)(C)Oc1ccc(C=Nn2cnnc2SCc2c(Cl)cccc2Cl)cc1 2326511529 CYWANFXZYZJAQR-UHFFFAOYSA-N 435.380 5.937 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccc(CC)cc1 2326524044 IVMNEYHJWQSWTR-UHFFFAOYSA-N 441.000 5.932 30 10 IKEE C=CCSc1nnc(COc2ccc(C)cc2C)n1N=Cc1cccc2ccccc12 2328907116 YJMRZZHJVLHJGU-UHFFFAOYSA-N 428.561 5.787 30 10 IKEE Cc1cccc(CSc2nnc(CCOc3ccccc3)n2N=Cc2cccc(O)c2)c1 2329171065 ZYSBSAAMVYCZQD-UHFFFAOYSA-N 444.560 5.088 30 10 IKEE CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1ccc(OCc2ccc(C)cc2)cc1 2330047782 AQGPMTZNKIOUCZ-FQEVSTJZSA-N 442.588 5.921 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccccc3)nnc2[C@H](C)c2ccccc2)cc1 2330103728 YPKFOFZHUXLWLB-LJQANCHMSA-N 428.561 5.613 30 10 IKEE C=CCSc1nnc(CCc2ccccc2)n1N=Cc1ccc(OC(C)C)c(OC)c1 2330200176 BHQZXACFQNMDIH-UHFFFAOYSA-N 436.581 5.019 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)Cc1cccs1 2330705156 LPVUUJWVGVEFNI-UHFFFAOYSA-N 432.541 5.680 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(CC)cc3)cc2OCC)c1 2330765574 XWRDHDGLBKMRMY-UHFFFAOYSA-N 444.527 6.162 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)c1ccccc1C 2330906233 VFHVOJLBBKKTTG-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3)c(Br)c2)cc1 2330965801 QEKIPYFSIDHLHE-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)COCc1ccccc1 2331183407 GSKMMOVCTMPMRG-UHFFFAOYSA-N 442.511 5.442 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OCCC)cc2)cc(OC)c1OC(=O)CCCC 2331311546 SMNDRMZZYYPJQH-UHFFFAOYSA-N 436.548 6.204 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OC 2331329933 YBYXRRZKNOTYFC-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)Cc1ccc(C)c(C)c1 2331712752 DQKWYXYSWNWMHE-UHFFFAOYSA-N 428.528 5.973 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COCc3ccccc3)cc2)cc1Cl 2331818777 SWWXXGWJFHISEM-UHFFFAOYSA-N 436.891 5.367 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccccc3OC)c(OC)c2)cc1C 2331854752 HYQUEWHZJUAFLR-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE C=CCOc1ccccc1C=C1C(=O)N(Cc2ccc(F)cc2)N=C1c1ccc(OC)cc1 2332114245 IGKQMVWBUQJGTM-UHFFFAOYSA-N 442.490 5.229 30 10 IKEE C[C@@H](Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCN(Cc2ccccc2)C1 2339537647 WOEQDXBCBNCCNX-FAXZBDKVSA-N 433.405 5.049 30 10 IKEE CC1(C)OB(C=Cc2ccc(Oc3ccc(I)cc3)nc2)OC1(C)C 2339585282 MZJQRGVKCVPOIX-UHFFFAOYSA-N 449.097 5.123 30 10 IKEE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2365069310 ZAUWBPKPAFLOIY-YBYKEUDPSA-N 447.432 5.295 30 10 IKEE O=C[C@@]1(Cc2ccc(I)c(Br)c2)CCCCC12CCC2 2377341964 DGAXQEZOVQHJLH-KRWDZBQOSA-N 447.154 5.526 30 10 IKEE Cc1cccc(NC(=O)N(Cc2ccccc2)Cc2ccco2)c1B1OC(C)(C)C(C)(C)O1 2380912589 QYJCBURKPPILSH-UHFFFAOYSA-N 446.356 5.122 30 10 IKEE COc1cccc(/C=N/c2cccc3c(/N=C/c4cccc(OC)c4O)cccc23)c1O 1233869 TYKYDUMGSIOWBT-DPCVLPDWSA-N 426.472 5.769 30 10 IKEE C=C(C)COc1ccccc1NC(=S)NC(=O)c1ccc(OCCCCCC)cc1 9697372 DVOOBFKTRNQYFX-UHFFFAOYSA-N 426.582 5.727 30 10 IKEE Cc1ccc(-n2c(S[C@@H](C)C(=O)Nc3cccc(C#N)c3)nnc2-c2ccccc2)cc1 11196632 VHZSWEALYYCWPQ-SFHVURJKSA-N 439.544 5.234 30 10 IKEE COc1cc(/C=C2\S/C(=N\c3ccccc3)N(C)C2=O)ccc1OCc1ccccc1 12621572 CXJNHLANPRLTRL-JTUXUYRKSA-N 430.529 5.508 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccn2)cc1OC 20885125 DCWDATADGWFGTP-DNOBIOAJSA-N 441.531 5.468 30 10 IKEE COc1ccc(-c2csc(NC(=O)[C@@H](C)Sc3ccc4ccccc4n3)c2C#N)cc1 32528240 KSSIQFQBQZOJIQ-OAHLLOKOSA-N 445.569 5.963 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)c(OC)c1 34955199 QWFNHVFYOBQIDZ-CAOOACKPSA-N 444.527 6.117 30 10 IKEE CCCCOc1ccc(/C=N/Nc2nnc3c4ccccc4n(CC)c3n2)cc1OCC 65002873 BXBJYQPHWJPTGP-PCLIKHOPSA-N 432.528 5.023 30 10 IKEE CCCCCCCCCCOc1ccc(OC(=O)c2cccc(C(=O)OCC)n2)cc1 97997041 FAYQSQMHDXSTHR-UHFFFAOYSA-N 427.541 5.997 30 10 IKEE O=C1/C(=C2/C(=O)c3ccc(Cl)c4c(Cl)ccc2c34)Sc2cc3ccccc3cc21 98027875 DPGLOCIWCWIAST-GFMRDNFCSA-N 433.315 7.196 30 10 IKEE C=CCOc1ccc(Br)cc1/C=C1/C(=O)N(c2ccc(Cl)cc2)N=C1C 100147808 DODPBQFRKSZQEO-LDADJPATSA-N 431.717 5.473 30 10 IKEE CCCCCCCCCc1ccc(-c2ccc(CCCCCC(=O)OCCC)cc2)cc1 100496123 XOORPHAAJDRAII-UHFFFAOYSA-N 436.680 8.703 30 10 IKEE CCOc1cc(/C=C2/S/C(=N/C)N(C)C2=O)ccc1OCc1ccc2ccccc2c1 101696057 FFBCYWJTOBHJQY-JHXFIANCSA-N 432.545 5.349 30 10 IKEE COc1cccc2c(C#Cc3ccccc3)c3cccc(OC)c3c(C#Cc3ccccc3)c12 116066365 DQOAHQWNNMXPRE-UHFFFAOYSA-N 438.526 6.810 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc(C)c(C)c2)=C(O)C(=O)N1c1ccc(F)cc1 169940573 JZXJMMIGZVLGSR-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1cccs1 169986831 XSTFGXRMSHFSLC-NRFANRHFSA-N 448.931 5.974 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccs2)cc1 169988710 UGRPAUALTIEIPQ-FQEVSTJZSA-N 439.920 5.189 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@H]2c2cccnc2)ccc1F 170008966 AQHOOYZFQQUPES-NRFANRHFSA-N 436.870 5.274 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2ccccc2)cc1C 170051891 YTWFQRDMYCLFDP-HSZRJFAPSA-N 431.919 6.048 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2cccc(C)c2)c1 170140936 OIVHKJNGOLWZOR-AREMUKBSSA-N 433.507 6.240 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccc(C)c2)c(C)c1 170142677 WNQSLSUWFFRDMB-XMMPIXPASA-N 427.500 5.403 30 10 IKEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(C(C)(C)C)cc1 170149521 MNEOYXCVTWXGNK-XMMPIXPASA-N 447.575 5.088 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2)ccc1Cl 170226119 MJTDYQROBMZKTM-JOCHJYFZSA-N 433.891 5.522 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(Cl)cc2)c1 170235102 OGHZLLZRNBVXHS-JOCHJYFZSA-N 433.891 5.522 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1ccccc1F)c1cc2ccccc2o1 170248821 AFBBIMFXMZELKL-JOCHJYFZSA-N 429.403 5.060 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccccc1F 170249824 ODMYDTGGQOJQFH-UPCLLVRISA-N 443.474 5.240 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1F 170250605 GRNUGNFQPUYKOU-HSZRJFAPSA-N 447.506 5.803 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(C)o1 170311152 OKIHRITUZBQRME-JOCHJYFZSA-N 449.478 5.131 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1c1ccc(F)cc1 170313906 XHLZPUYRXRODGL-HXUWFJFHSA-N 433.460 5.725 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(N(C)C)cc1 170443619 UAEWXHRBDGVTNP-DEOSSOPVSA-N 434.580 5.565 30 10 IKEE Cc1cc(Br)c(O)c(C=Nc2ccc(-c3nc4cc(C)ccc4o3)c(O)c2)c1 252591194 AYWLYDJECWPBRF-UHFFFAOYSA-N 437.293 6.036 30 10 IKEE C=CCn1c(S[C@H](C)c2nnc(C3CCC3)o2)nnc1C12CC3CC(CC(C3)C1)C2 253574861 TYDRVWTZZLETRB-KWJFTMPMSA-N 425.602 5.436 30 10 IKEE COc1ccc(/C=C2/Oc3c(ccc4c3[C@H](c3ccc(O)c(Cl)c3)CC(=O)O4)C2=O)cc1 504687660 OGVUEVZLBVSKDA-GVLJNOETSA-N 448.858 5.111 30 10 IKEE CCOc1cc(/C=N\n2c(C)nnc2SCc2cc(C)ccc2C)cc(Cl)c1OC 526818650 TZEUZCYAGLHGGL-MSXFZWOLSA-N 444.988 5.439 30 10 IKEE CC(C)(C)c1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2cccc(Cl)c2)cc1 586252071 QTCLXBBEBUSXEE-UHFFFAOYSA-N 438.980 5.905 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1ccc(Br)cc1Cl 698419348 MRNGDURUUXYPMJ-GOSISDBHSA-N 435.749 6.417 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@](C)(C#N)Cc1ccc(Br)cc1 698477711 QKJCBHVGSLHKRM-QFIPXVFZSA-N 429.358 6.024 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CC[C@H](CNC(=O)OC(C)(C)C)C2)c1 724070735 VPOUTXDWOXYGDW-BXKMTCNYSA-N 445.560 5.024 30 10 IKEE Cc1ccc(C2=CCC(C)(C)c3cc(C(/C=C/c4ccc(C(=O)O)cc4)=NO)ccc32)cc1 1082540867 AUKGBKLQWDXBEP-XTORXCDNSA-N 437.539 6.698 30 10 IKEE COc1ccccc1NC(=O)COc1ccc(C=Nc2ccc(Br)cc2)cc1 1084247202 NISHFCQLAKMHSL-UHFFFAOYSA-N 439.309 5.226 30 10 IKEE Clc1ccc(C=Nc2ccc3nc(SCc4c[nH]c5ccccc45)sc3c2)cc1 1084324501 XHBAKNTVFFYQCL-UHFFFAOYSA-N 433.989 7.474 30 10 IKEE O=C(O)c1ccc(N=Cc2ccccc2OC(=O)c2sc3ccccc3c2Cl)cc1 1084359490 BTUBUELYQPZEBA-UHFFFAOYSA-N 435.888 6.223 30 10 IKEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(CC)Cc1cccs1 1301149758 FQWDAPLRCLZHTQ-UHFFFAOYSA-N 448.596 5.284 30 10 IKEE CCN(CC(=O)Nc1nc(C)c(Cc2ccc(C)cc2)s1)[C@H](C)c1ccc(C#N)cc1 1641564689 AXDXTJPCKOPTCU-LJQANCHMSA-N 432.593 5.244 30 10 IKEE CC(C)(C)c1ccccc1NC(=O)c1nc(C(=O)Nc2cccc(C#N)c2)n2ccccc12 1858242264 VFWGNLNGJGFIGE-UHFFFAOYSA-N 437.503 5.008 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)C(c1ccccc1)c1ccccc1 1861478094 IEKMXVOCFIUYBJ-SANMLTNESA-N 448.651 6.066 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)/C=C/c1ccc(Cl)cc1Cl 1861554796 BMAUXHWXVDTZMZ-UACNQURRSA-N 441.443 6.158 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862429541 PMKNSGVHJVMLKM-HXOBKFHXSA-N 431.919 5.988 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2cc(C)ccc2C)cc1 1862441234 CQRBGLJVFIJIGO-DEOSSOPVSA-N 445.946 6.044 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862449124 CWWQWRMQACLUKP-NRFANRHFSA-N 425.956 5.872 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2[C@@H](C)CC)c1 1862461809 NPGXWNPECXUDJX-ZSEKCTLFSA-N 447.453 5.270 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccc(F)cc2F)cc1 1862478146 ZVUWUUOMSYDYIZ-QMHKHESXSA-N 433.454 5.613 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862481942 KBGIFZPJTDQCMW-FQEVSTJZSA-N 447.453 5.019 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(C)cc1 1862486841 MIFOMBYWYCIAAD-WIOPSUGQSA-N 433.592 6.549 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(OC)c(OC)c1 1862495565 PBODZIZWQAJTIY-QHCPKHFHSA-N 437.536 5.089 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccccc1Cl 1862526603 HZADQALYCGGBAO-QGZVFWFLSA-N 434.717 5.091 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2cccc(C)c2)cc1 1862533351 LTTSNJFBVWEMEY-DFBJGRDBSA-N 425.528 5.897 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 1862539695 VXYYLBJNXNDIJC-OAQYLSRUSA-N 445.481 5.892 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 1862621893 APAVIXLLIDCYCB-LJQANCHMSA-N 431.454 5.601 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(OC)c(OC)c1 1862669406 VPQRMXYVCTZFCJ-QMHKHESXSA-N 437.536 5.204 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862703742 YRSNARGHTRXIMN-HSZRJFAPSA-N 435.520 5.005 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccc(Cl)c1 1862725271 FJNUYNRTPBORCT-QHCPKHFHSA-N 431.919 5.994 30 10 IKEE Cc1cccc(NC2=C(c3cccc4ccccc34)C(=O)N(c3ccccc3C#N)C2=O)c1 1862853960 JZHIFCZYHJSCMM-UHFFFAOYSA-N 429.479 5.417 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccccc3C(C)(C)C)C2=O)cc1 1862903625 SULPHCFSWYXSRM-UHFFFAOYSA-N 435.527 5.561 30 10 IKEE C=CCN1C(=O)C(Nc2cccc(Cl)c2)=C(c2ccc(OCc3ccccc3)cc2)C1=O 1863364229 LDLMCMMJYAVPDU-UHFFFAOYSA-N 444.918 5.297 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)cc2F)=C(c2ccc(F)c(C)c2)C1=O 1863464019 YYRPUHRGSWDDHR-UHFFFAOYSA-N 444.497 5.965 30 10 IKEE CC(C)(C)C(F)(F)c1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 1866137077 FMQCJMJUTTUWKJ-UHFFFAOYSA-N 439.346 7.114 30 10 IKEE N#Cc1cnn(-c2ccccc2F)c1NC(=O)c1ccc(-c2ccc3cnccc3c2)cc1 1866181006 MRAJZEXQBDZQNW-UHFFFAOYSA-N 433.446 5.351 30 10 IKEE CCCCCCCCn1cc(OCCCc2ccccc2)c(=O)cc1CNc1ccccc1 1871139072 YMKBZVGWHKZJAI-UHFFFAOYSA-N 446.635 6.833 30 10 IKEE Cc1cccc(Cn2cc(OCc3ccc(C#N)cc3)c(=O)cc2CNc2ccccc2)c1 1871250618 NGRAWFCZDMDIER-UHFFFAOYSA-N 435.527 5.268 30 10 IKEE Cc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3nc5ccccc5[nH]3)C4)C2=O)cc1 1871355394 JDALEYKKVHQROK-KSEXSDGBSA-N 437.499 5.148 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(N(C)C)cc1)C3=O)CN([C@@H]1CCCC[C@H]1C)CO2 1871355490 BDEVAFHLLCDFFE-KWMSOZEESA-N 432.564 5.408 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1cn(C)c4ccccc14)C3=O)CN([C@H]1CCCC[C@H]1C)CO2 1871355978 OYGWPVUWZAHSAU-XDKXFNKYSA-N 442.559 5.834 30 10 IKEE O=C1/C(=C/c2ccccc2OC(F)F)Oc2cc(OC(=O)C(Cl)(Cl)Cl)ccc21 1871363102 GOGIXITWYSNTCQ-AUWJEWJLSA-N 449.620 5.180 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCCCc4ccccc4)cc(C)c3C2=O)cc1OC 1871399083 CPPKISBQGWRMDO-XYGWBWBKSA-N 430.500 5.640 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccccc1)C2=O 1871414933 XZRYTDOVENKIHE-NSTHGIQOSA-N 447.918 5.979 30 10 IKEE O=C1/C(=C/c2ccccc2Cl)Oc2cc(OCCOc3cccc4ccccc34)ccc21 1871415531 HGNKSGDRVHMXII-QQXSKIMKSA-N 442.898 6.567 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccccc1Cl)C2=O 1871440422 OFQWRJTTWVHNQA-XKZIYDEJSA-N 447.918 5.899 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccc(Cl)cc3C)cc(C)c2C1=O 1871454348 LCOUKWFGRUXQEA-FMCGGJTJSA-N 447.918 5.899 30 10 IKEE Cc1cc(Cl)ccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccccc1)C2=O 1871454508 NVEYXMIDFAKVNU-XKZIYDEJSA-N 433.891 5.591 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccccc4)c3C)C2=O)cc1 1871459744 ARUXLRBMLPIBQM-HAHDFKILSA-N 429.472 5.027 30 10 IKEE C=CCN([C@@H](C(=O)Nc1cccc(C)c1C)C(C)C)S(=O)(=O)c1c(C)cc(C)cc1C 1872505890 ZVBKMTQRODGJFT-HSZRJFAPSA-N 442.625 5.069 30 10 IKEE N#C[C@@H](C(=O)c1c(Cl)ccc(Cl)c1Cl)c1nc(-c2c[nH]c3ccccc23)cs1 1872777006 DDBFSXHEFOKFMO-NSHDSACASA-N 446.746 6.742 30 10 IKEE N#C[C@H](C(=O)Cc1cc(Cl)ccc1Cl)c1nc(-c2c[nH]c3ccccc23)cs1 1872777304 KPMXIKKHBININP-OAHLLOKOSA-N 426.328 6.017 30 10 IKEE COc1cc(C(=O)[C@H](C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc(OC)c1OC 1872786886 VLBAQZMQHCWCDI-KRWDZBQOSA-N 436.533 5.251 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)c3cc4ccccc4oc3=O)n2)cc1C 1872787725 QGPKPXXDDOOHBT-SFHVURJKSA-N 430.485 5.032 30 10 IKEE CCCCCCCCCCNC1=C(c2cccnc2)C(=O)N(Cc2cc(C)ccc2C)C1=O 1873076909 IZPMGTVRTRVVFA-UHFFFAOYSA-N 447.623 5.709 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C)c2)cc2c(NCCc3ccc(C)cc3)ncnc21 1873616696 CIQHMZZIVFKCTD-UHFFFAOYSA-N 425.536 5.141 30 10 IKEE CCSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(F)cc1 1874204633 MBNHRRQBPRUQGZ-LSHDLFTRSA-N 425.316 5.297 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccc(O)cc1 1874215708 GAHGKIFFYOKGJF-ZVHZXABRSA-N 442.972 5.199 30 10 IKEE CSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccc(Cl)cc1Cl 1874229316 DEECHQMQAKIFDG-LSFURLLWSA-N 441.771 5.730 30 10 IKEE CSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc(Cl)cc1Cl 1874233587 QCNAVBGVALPMEI-AFUMVMLFSA-N 441.387 6.127 30 10 IKEE Cc1ccccc1/C=N/n1c(CCc2ccc(Cl)cc2)nnc1SCc1ccccc1 1874283048 MSAXSMGOVLBSOA-WPWMEQJKSA-N 447.007 6.200 30 10 IKEE CCCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874284345 BHKXIMUYVWYGDJ-HYARGMPZSA-N 429.933 5.009 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2)n1/N=C/c1ccc(Cl)cc1Cl 1874317821 MLMOOYIMXGJNCA-BUVRLJJBSA-N 447.391 5.757 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2C)cc1C 1874330216 NXOHECYVWWUDAI-MTDXEUNCSA-N 440.616 6.163 30 10 IKEE Cc1cccc(CSc2nnc(CCc3cccs3)n2/N=C/c2ccc(O)cc2)c1 1874370446 ZSQYHRUOIXAJJL-BUVRLJJBSA-N 434.590 5.313 30 10 IKEE Fc1ccccc1CSc1nnc(Cc2ccccc2)n1/N=C/c1c[nH]c2ccccc12 1874416899 NZLRCIKJXVGAHX-LQKURTRISA-N 441.535 5.664 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2-c2cccs2)cc1 1874423754 CPXLINYYDZASOQ-FSJBWODESA-N 428.945 5.974 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(SCc2cccc(F)c2)nnc1-c1ccccc1 1874427047 NLXNFNRLKRIGLL-JVWAILMASA-N 446.551 6.046 30 10 IKEE CN(C)c1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2[C@H]2CCCO2)cc1 1874449525 FBIBMFVDTQOZKJ-LSCMLXDISA-N 441.988 5.024 30 10 IKEE Fc1ccccc1/C=N/n1c(SCc2cccc3ccccc23)nnc1-c1ccco1 1874468076 QCLYWRWZGYAFLB-CVKSISIWSA-N 428.492 6.005 30 10 IKEE CCCCc1nnc(SCCC)n1/N=C/c1ccc(N(CC)Cc2ccccc2)cc1 1874479043 FTYCNCWCFUCBSC-LGUFXXKBSA-N 435.641 6.032 30 10 IKEE COc1cc(/C=N/n2c(CC(C)C)nnc2SCc2ccccc2F)cc(Cl)c1O 1874490058 XWCMPEFCGHGYAQ-BHGWPJFGSA-N 448.951 5.158 30 10 IKEE Cc1ccc(CSc2nnc(C3CC3)n2/N=C/c2cc(Br)ccc2F)cc1 1874517148 TWXVJGSGFGZPGF-FOKLQQMPSA-N 445.361 5.540 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(CC)nnc2SCc2ccccc2)cc1OC 1874526750 FBEVAUOASFSACK-KOEQRZSOSA-N 438.597 5.593 30 10 IKEE CC(C)COC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(Cl)c(Cl)c1 1874579481 QKPCQNMWDCUXLW-QPJJXVBHSA-N 441.738 6.121 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)c1OCc1ccccc1C 1874589121 UWMVRBXADJCNSL-OUKQBFOZSA-N 436.935 6.449 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccccc2Cl)c1)c1ccc(Br)cc1 1874593415 IZYNPRSEWCZSGZ-MDWZMJQESA-N 427.725 6.578 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC)c(OCc3ccccc3Cl)c2)cc1C 1874599771 COCSOPCKJZVGCU-PKNBQFBNSA-N 436.935 6.449 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc1OCc1ccccc1F 1874600661 WSESYWYGVGJLTJ-CSKARUKUSA-N 440.898 6.280 30 10 IKEE C=CCOc1ccc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc1Br 1874627666 ZZJIAFDTQQRNAX-VQHVLOKHSA-N 429.354 6.350 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc(F)c(F)c3)ccc2OC)cc1 1874709971 RWCPMYBQWOIXQO-UUILKARUSA-N 438.426 5.487 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 1874715570 VGVGXACHWWNLDS-IZZDOVSWSA-N 441.310 6.426 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1OC(=O)C1CCC1 1874715994 WIMAXWXFQZKDKA-SOFGYWHQSA-N 435.303 5.612 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1OC 1875084895 FUVKOHVBWLGSFL-VAWYXSNFSA-N 445.899 6.029 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(OC)c1OC(=O)c1ccccn1 1875096600 VVLPWALJHYYQLQ-JLHYYAGUSA-N 439.467 5.367 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC(=O)COCc1ccccc1 1875127756 WLRLEZYRUOUYDX-NTUHNPAUSA-N 436.891 5.367 30 10 IKEE COc1cccc(C(=O)Oc2c(Cl)cc(/C=C/C(=O)c3ccc(C)cc3)cc2OC)c1 1875132388 QZOQLLKOIRMMFS-FMIVXFBMSA-N 436.891 5.781 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)CC1CCCCC1 1875136646 UJYJUBAKFWEIHB-DTQAZKPQSA-N 432.560 6.504 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(C)cc3C)cc2)cc1 1875137393 KECRXLYOKJPVSP-OVCLIPMQSA-N 444.527 5.973 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)c3ccccc3)c([N+](=O)[O-])c2)c1 1875139547 NNBVPNMKFGQXQF-BPOBUFBUSA-N 429.472 5.817 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1ccc(CC)cc1 1875145625 POYYELLXRUBZMU-GXDHUFHOSA-N 444.527 6.080 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)CC1CCCCC1 1875157570 DSSBWQLIQJSDPW-KPKJPENVSA-N 430.903 6.260 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc1[N+](=O)[O-] 1875161039 VQOAGVAPISXNNM-FMIVXFBMSA-N 439.508 5.893 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)c3ccccc3)cc2)c2ccccc12 1875190090 GBLVQVPHXFULAX-GJPUVDBCSA-N 436.507 6.454 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC[C@@H](CCNC(=O)OC(C)(C)C)C(C)C)NCC 1922108149 RJMRRJAHORKYLY-ZEQRLZLVSA-N 432.649 5.705 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 1945529737 YUIFKEUCLKJITO-MISYRCLQSA-N 435.609 5.484 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1982205468 NKFARTWNDRRALP-IVZQSRNASA-N 435.952 5.279 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@H](C#N)[C@H]1CCCN1C(=O)OC(C)(C)C 1991926175 GAFDSKRUZMXPBQ-QZTJIDSGSA-N 435.952 5.373 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@H](C#N)[C@@]1(C)CCCN1C(=O)OC(C)(C)C 2020804617 QTLNEMKXDCGWGY-WZONZLPQSA-N 433.524 5.249 30 10 IKEE Cc1cccc(-c2cc(C=Cc3ccc(C(=O)O)cc3)c(C#N)c3nc4ccccc4n23)c1 2040461565 WLUMMEWLQDRGNJ-UHFFFAOYSA-N 429.479 6.203 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C=O)(Cc2ccc(Cl)c(Br)c2F)C1 2047984180 DUWFICJJRZBIFF-GOSISDBHSA-N 434.733 5.000 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1(C)C 2053054732 VPGWIBQLVYQRLM-FYSMJZIKSA-N 447.551 5.400 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCC23CC(NC(=O)OC(C)(C)C)C3)cc1 2064202340 INHCROHDMXOWEK-QJDQLVHXSA-N 441.572 5.466 30 10 IKEE CC(C)(C)OC(=O)NCc1ccc([C@@](C)(C#N)N(C(=O)OC(C)(C)C)C2CCCC2)cc1 2067354149 LKSHQDOFQYCQLE-RUZDIDTESA-N 443.588 5.630 30 10 IKEE CC(C)(C)c1nn([C@H](c2ccc(C(F)(F)F)cc2F)C2CCC2)c(Cl)c1C=NO 2079951471 SWVFVWBQQZVHBT-INIZCTEOSA-N 431.861 6.190 30 10 IKEE CCOC(=O)c1c(C(F)(F)F)nn([C@@H](C)c2ccc(C(F)(F)F)cc2F)c1Cl 2079972432 UYZINDIGZWHACL-ZETCQYMHSA-N 432.723 5.499 30 10 IKEE CC(C)Oc1ccc([C@@H](C2CCC2)n2nc(C3(C)CC3)c(C#N)c2Br)cc1 2080125240 DCZJBLHXDQMICK-LJQANCHMSA-N 428.374 5.745 30 10 IKEE CCCCCC#CC[C@H](O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2083415520 OMTRNXJXINNRBW-DEOSSOPVSA-N 442.644 5.271 30 10 IKEE C=CCCCCCCCCC[C@H](NC)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2086263475 HXMAMIZWQPMMFR-DQEYMECFSA-N 446.676 6.381 30 10 IKEE N#C[C@@H](Nc1ccccc1Br)c1cc(Br)ccc1Br 2088096663 BBDQFJDJHHSRMJ-CQSZACIVSA-N 444.952 5.651 30 10 IKEE CCCCC#CC[C@H](NCCC)c1ccc(I)c(Br)c1 2203811611 YBUVABZKORFGOQ-KRWDZBQOSA-N 448.186 5.678 30 10 IKEE CC(C)(C)OC(=O)NC1(c2ccc(Nc3ccc(C#N)c(Br)c3)cc2)CC1 2206278136 ASPNNQCXLSNFDB-UHFFFAOYSA-N 428.330 5.578 30 10 IKEE CCCN[C@@H](C#Cc1ccc(CC)cc1)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 2223326587 OPTKIVMCKKWMCP-SANMLTNESA-N 434.624 5.796 30 10 IKEE N#Cc1ccc(Oc2cc(Br)c(Br)cc2N)c(Br)c1 2225704585 NJWKZHVBWZAKNI-UHFFFAOYSA-N 446.924 5.220 30 10 IKEE CC1(C)OB(c2cccc(Oc3c(Cl)cc(Br)cc3Cl)n2)OC1(C)C 2266734979 YFXURWBGILUUOW-UHFFFAOYSA-N 444.949 5.242 30 10 IKEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)cc1 2267115689 OZIQGBYNHMQUED-NXHRZFHOSA-N 444.381 5.083 30 10 IKEE CCCCCCCC[C@H](N)[C@@](C)(O)c1cc(Br)c(Br)s1 2281282834 YVQBQUVJFIWOME-SWLSCSKDSA-N 427.246 5.559 30 10 IKEE C=CCCCC[C@H](OCCC(=O)O)c1scc(Br)c1Br 2291485925 VNFXTNIZGKBZAL-NSHDSACASA-N 426.170 5.552 30 10 IKEE Cc1ccsc1C=C1SC(=Nc2ccccc2)N(CCc2c[nH]c3ccccc23)C1=O 2294025393 QTMBFHSEKDXTSD-UHFFFAOYSA-N 443.597 6.385 30 10 IKEE CCN1C(=O)C(=C2Sc3ccccc3N2C)SC1=Nc1ccc(C2CCCCC2)cc1 2295201834 GZBNOXZWWFHUEE-UHFFFAOYSA-N 449.645 6.728 30 10 IKEE O=C(C=CNc1ccc(Oc2cccc(NC=CC(=O)C(F)(F)F)c2)cc1)C(F)(F)F 2295976528 BVCVSVJXLFKRJQ-UHFFFAOYSA-N 444.331 5.593 30 10 IKEE O=C1C(=Cc2ccncc2)Oc2cc(OC(=O)N(c3ccccc3)c3ccccc3)ccc21 2296867465 RCRYHULEPCAXRH-UHFFFAOYSA-N 434.451 6.035 30 10 IKEE CC(C)c1ccc([C@@H]2C(=C(O)c3ccc(Cl)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1 2297740184 NOTJRJLLRHSPHC-HSZRJFAPSA-N 446.934 5.480 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1Cl 2314429769 OHUDRXPUMBOHKR-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE CCOC(=O)[C@@H](Oc1ccc2c(c1)OC(=Cc1ccccc1OCC)C2=O)c1ccccc1 2314438133 IPKFJFXMBSCISJ-SANMLTNESA-N 444.483 5.385 30 10 IKEE CCOc1ccc(N=C2NC(=O)SC2=Cc2ccc(-c3ccc(C(=O)O)cc3)o2)cc1 2314490230 YOPXWPGDGDDAAF-UHFFFAOYSA-N 434.473 5.571 30 10 IKEE N#C[C@H]1CCCCC[C@@H]1Sc1cc(I)ccc1Br 2316465351 KVMJJGWDCVXIQR-MFKMUULPSA-N 436.156 5.618 30 10 IKEE Cc1ccc(COc2cccc(C=NNc3oc([C@@H]4C[C@H]4c4ccccc4)nc3C#N)c2)cc1 2320840018 QDYMUUHJTIYEGB-LOSJGSFVSA-N 448.526 6.151 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(F)cc1)C3=O)CN(CCc1ccc(Cl)cc1)CO2 2322286605 RMAGDTQBQQSKCJ-UHFFFAOYSA-N 449.909 5.798 30 10 IKEE Cc1ccc(C)c(CN2COc3c(cc4c(c3C)OC(=Cc3ccccc3Cl)C4=O)C2)c1 2322412957 PDHQMISGQLYRNX-UHFFFAOYSA-N 445.946 6.234 30 10 IKEE CCN(CC)C(=O)COc1c(C=CC(=O)c2ccccc2Cl)cc(Cl)cc1OC 2322436854 RHNQLMMGHHSZHT-UHFFFAOYSA-N 436.335 5.145 30 10 IKEE COc1cccc(C=CC(=O)c2c(C)cc(C)cc2C)c1OCc1c(F)cccc1Cl 2322952650 GCEHYGRIRORRAC-UHFFFAOYSA-N 438.926 6.888 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1Cl 2322975223 KNHMILJBFZHDEO-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE O=c1c(Cl)c(NN=Cc2c(Cl)ccc(Cl)c2Cl)cnn1-c1ccccc1 2323230604 NOSYALAZOVPHQR-UHFFFAOYSA-N 428.106 5.292 30 10 IKEE CCOc1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(C)o2)C3=O)cc1 2323512373 KWPNVRPNUDJRSJ-UHFFFAOYSA-N 430.456 5.530 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)c4cccc(OCC(C)C)c4)ccc3C2=O)c1 2323579829 FAJJXLJLIOWRKR-UHFFFAOYSA-N 428.484 5.865 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3Cl)c([N+](=O)[O-])c2)cc1 2323831931 UIVBJYGUKZGTPS-UHFFFAOYSA-N 437.879 6.122 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OCCCO)c(OC)c2)cc1 2324211011 QHMGHAKNKORJHZ-UHFFFAOYSA-N 426.553 5.702 30 10 IKEE COc1ccc(OC)c(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)c1 2324406885 ASRNSKZHONPNQC-LJQANCHMSA-N 434.517 5.034 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccc(C)o2)C3=O)c1 2324463739 DZNDKYISPWRDEP-SFHVURJKSA-N 431.488 5.535 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OCCc2ccccc2)c(Cl)c1 2324510494 OSVCRIJBFXRVIP-UHFFFAOYSA-N 441.354 6.828 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OCCCOc4ccc(C)cc4)c3C)C2=O)cc1 2324547714 YFVIZBKIACQOCI-UHFFFAOYSA-N 428.528 6.330 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)cc1C 2324627937 DUEZWVYHKYIYIB-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)N[C@H](C)c4ccccc4)cc(C)c3C2=O)cc1 2325020183 BMHYKIOITVZTSW-LJQANCHMSA-N 441.527 5.430 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1N=Cc1cc(Cl)c(O)c(OC)c1 2325513426 GASZIXQHUYNEMJ-UHFFFAOYSA-N 444.988 5.471 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(N(C)C)cc1 2325536060 OCJFVMGZXKTFMQ-UHFFFAOYSA-N 445.995 5.654 30 10 IKEE COc1cc(Cl)c(C)cc1NC(=O)C(=O)C=Cc1cccc(OCc2ccccc2)c1 2325669381 DPQMJPJQLZOIFJ-UHFFFAOYSA-N 435.907 5.457 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1OC(=O)Cc1ccc(C)cc1 2325690561 XNVOLZJMHOJWIC-UHFFFAOYSA-N 436.507 6.201 30 10 IKEE CCOc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccccc2C)C3=O)cc1 2325705012 DIBQABWAXXPDFL-UHFFFAOYSA-N 429.472 5.027 30 10 IKEE CCc1ccccc1OCC(=O)Oc1cccc(C=CC(=O)c2ccc(OC)c(C)c2)c1 2325715059 VDHJLBGGRWNNEX-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE COc1ccccc1C(=O)C=Cc1cccc(OC(=O)c2ccc(-c3ccccc3)cc2)c1 2325724138 IWSBHMZLXFMOTK-UHFFFAOYSA-N 434.491 6.478 30 10 IKEE O=C(C=Cc1cccc(OC(=O)[C@H](Cc2ccccc2)c2ccccc2)c1)c1ccccc1 2325733261 XLRGYDRUELCMNB-MUUNZHRXSA-N 432.519 6.515 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)CC(C)(C)C)c2)c(OCC)c1 2325762467 ZCDVYYUXDUJYRM-UHFFFAOYSA-N 440.536 5.730 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)COc3c(C)ccc(C)c3C)c2)c(C)c1 2325764688 NDTBFGWNPPZXOV-UHFFFAOYSA-N 442.555 6.418 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)CCCOc3ccccc3)c2)cc1C 2325771143 KSBUVIXYVRDCAH-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE CCSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1cn(C)c2ccccc12 2326315478 GCHCNFMRZUUFAM-UHFFFAOYSA-N 447.608 5.338 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(C)nnc2SCc2ccc(C(C)(C)C)cc2)cc1 2326317974 JSEGYRBYKBBHDT-UHFFFAOYSA-N 435.641 5.905 30 10 IKEE CCCOc1ccc(C=Nn2c(CCCOc3cccc(C)c3)nnc2SCC)cc1 2326991788 GHHBVRYJGXNTKV-UHFFFAOYSA-N 438.597 5.381 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccc(Cl)cc3)n2N=Cc2ccncc2)cc1 2328007990 MIJRZBPGAHILSR-UHFFFAOYSA-N 447.995 5.595 30 10 IKEE CCSc1nnc(COc2ccccc2OC)n1N=Cc1c(Cl)cccc1Cl 2328261729 HQVAMTWWDSAORT-UHFFFAOYSA-N 437.352 5.167 30 10 IKEE Cc1ccccc1CSc1nnc(CCCOc2ccccc2)n1N=Cc1ccccc1 2328719909 LBMAIWHOUWXUNJ-UHFFFAOYSA-N 442.588 5.773 30 10 IKEE COc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2ccccc2F)cc1 2329279221 UKURGFIZUQBABN-UHFFFAOYSA-N 446.551 5.234 30 10 IKEE Clc1ccccc1CSc1nnc(COCc2ccccc2)n1N=Cc1ccc[nH]1 2329344231 XTVFGAJIFJFYCK-UHFFFAOYSA-N 437.956 5.151 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)C=Cc2cccc(Br)c2)c1 2329591199 ANUZZHTWZPTPST-UHFFFAOYSA-N 445.316 5.512 30 10 IKEE Cc1ccc(CSc2nnc(CCc3cccs3)n2N=Cc2sccc2C)cc1 2329629255 STNSAFCWBVIVBQ-UHFFFAOYSA-N 438.647 5.978 30 10 IKEE CCCN(CCC)C(=O)CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1ccccc1 2330129092 JCRDZQRQNGFFIS-HXUWFJFHSA-N 449.624 5.053 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3cccc(OC)c3)cc2[N+](=O)[O-])c1 2330786075 CLJMBWJCBYNLKO-UHFFFAOYSA-N 447.443 5.117 30 10 IKEE COc1ccccc1C=Nn1c(SCc2c(F)cccc2Cl)nnc1[C@H]1CCCO1 2331008998 HCMHEHBUCPPCOE-LJQANCHMSA-N 446.935 5.105 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)c2cc3ccccc3n2C)c(Cl)c1 2331063660 HFJMMSHVPOPRKI-UHFFFAOYSA-N 445.902 5.956 30 10 IKEE Clc1cccc(Cl)c1C=Nn1c(SCc2ccccc2)nnc1C1CCCC1 2331069738 YLTZXPICWUGFLX-UHFFFAOYSA-N 431.392 6.417 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3F)c(OC)c2)cc1 2331311889 JNQZRXUZLMTTBE-UHFFFAOYSA-N 434.463 5.738 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)COc3c(C)ccc(C)c3C)cc2)c1 2331315879 BSCCJBBNZIZZBR-UHFFFAOYSA-N 428.528 6.109 30 10 IKEE Cc1cc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(C)c3)cc2Cl)ccc1F 2331337386 VTCSKCHVWPDIPZ-UHFFFAOYSA-N 440.873 6.279 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(C)c(C)c2)c(Cl)c1 2331358812 QSEQCWSKVHXIPE-UHFFFAOYSA-N 434.919 6.389 30 10 IKEE Cc1ccccc1CCC(=O)Oc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1 2331412492 BRNLBLUQTXPOOI-UHFFFAOYSA-N 426.556 6.727 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(F)c2)ccc1OC(=O)Cc1ccccc1 2331462747 MFJBVPYNZRHRAK-UHFFFAOYSA-N 434.463 5.277 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc1Cl 2331548499 RGSYJBAWMLOAHC-UHFFFAOYSA-N 428.956 6.638 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)C3CCCC3)c(Cl)c2)cc1C(C)C 2331577378 CKVNYAAAIMBGHV-UHFFFAOYSA-N 440.967 6.772 30 10 IKEE COCCC(=O)Oc1ccc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)cc1Cl 2331636613 ZGDRTPPMVJGASD-UHFFFAOYSA-N 443.710 5.493 30 10 IKEE CC(C)c1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(Br)cc1 2331708392 JPCJEIICJUYJCV-UHFFFAOYSA-N 449.805 5.992 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cc(Cl)ccc3Cl)cc2Cl)cc1 2331860016 GSYBHEPYVHCRKF-UHFFFAOYSA-N 445.729 7.071 30 10 IKEE COc1ccc(C(=O)COc2ccc3c(c2)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)cc1 2441590 ZQCKZNUOEYLLMP-YSMPRRRNSA-N 442.511 5.871 30 10 IKEE CC(C)[C@H]1CC[C@]2(C)CCCC(=NN=C3CCC[C@]4(C)CC[C@@H](C(C)C)C[C@]34C)[C@]2(C)C1 5037464 XLRONLOPJWYWMC-WAGZZDAMSA-N 440.760 9.089 30 10 IKEE O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(c2ccc(F)cc2)CC1 8675030 GFEDAOMYGODAJE-UHFFFAOYSA-N 435.343 5.217 30 10 IKEE O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1c(Cl)cccc1Cl)Nc1ccccc1N2 20881963 IVKUZMAZBFTXIQ-NPMABZOXSA-N 441.383 7.034 30 10 IKEE COc1ccc(/N=C2\[C@@H](N3CCCCC3)C(C)(C)C(=O)N2c2ccc(Cl)cc2)cc1 21152148 SRPAIVWLEBJDKG-PCOHFRABSA-N 425.960 5.306 30 10 IKEE CN(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2Cl)cc1 21232006 GTUNUNQAFQMPIE-DNOBIOAJSA-N 443.978 6.386 30 10 IKEE C=CCn1c(S[C@H](C)C(=O)NC(C)(C)CC)nc2cc(-c3ccccc3)sc2c1=O 25406100 DAWZQBYNCZCPJH-OAHLLOKOSA-N 441.622 5.096 30 10 IKEE C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CCSc1nnc(-c2ccc(OC)cc2)o1 33382987 YRGLKFYABDJLHS-OTPAQWSUSA-N 426.626 7.026 30 10 IKEE O=C1/C(=C/c2cccc(Cl)c2)Oc2cc(OCc3ccc(Cl)c(Cl)c3)ccc21 33513972 XCSPJXUYEFLTPK-FBHDLOMBSA-N 431.702 6.842 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(C(C)C)cc2)c1 33698665 XIEFAMAFZNECGX-RUZDIDTESA-N 440.543 5.600 30 10 IKEE COc1cccc(/N=C2\Sc3nc4c(C)cccc4cc3CN2Cc2ccccc2)c1 33938561 WJGLCCXUCUFBBS-RQZHXJHFSA-N 425.557 6.347 30 10 IKEE C=CCOc1cccc([C@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2CCCCC)c1 38705560 TWBHKFCESJNSIV-SANMLTNESA-N 445.563 5.699 30 10 IKEE C=CCc1ccc(OCCCn2c(COc3ccccc3C)nc3ccccc32)c(OC)c1 40233817 UYNWNRMOJHNCQH-UHFFFAOYSA-N 442.559 6.130 30 10 IKEE Cc1cc(C)c(CSc2nnc(N/N=C/c3ccc(Br)cc3)[nH]2)c(C)c1 59015602 XGNZCCLWCBPFID-UFFVCSGVSA-N 430.375 5.231 30 10 IKEE CCOc1ccccc1/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 59250194 CNNHAMBSUVAUHG-WSDLNYQXSA-N 436.758 6.996 30 10 IKEE COc1ccccc1CSc1nnc(N/N=C/c2ccc(OCc3ccccc3)cc2)[nH]1 59309653 VNLSKTWUFIMERH-MFKUBSTISA-N 445.548 5.131 30 10 IKEE CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@@H]2c1ccc(Cc2ccccc2)cc1 59461909 GCPUYOSAHPNVLG-IAPPQJPRSA-N 445.562 6.320 30 10 IKEE C/C(=N\OCc1ccccc1F)c1cc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)c1C 97629495 ZFSFIYGJCCUBSE-OCSSWDANSA-N 434.461 6.811 30 10 IKEE CCCCCCCOc1ccc([C@@]2(C)Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc1 100140893 CFQIBYMZCWICCF-HOFKKMOUSA-N 436.596 5.955 30 10 IKEE O=C1/C(=C\c2ccc(Br)cc2)Oc2cc(OC/C=C/c3ccccc3)ccc21 103023823 OCBVDSLODJQWGD-APFXOHQASA-N 433.301 6.158 30 10 IKEE Oc1ccc(Br)cc1/C=N/c1ccc2oc(-c3cccc4ccccc34)nc2c1 103906818 JDTZZLWRDILTTD-VULFUBBASA-N 443.300 6.867 30 10 IKEE CCC(CC)(CS)COc1c(Br)cc([N+](=O)[O-])cc1Br 125221329 MJRSXPKEDXHCEG-UHFFFAOYSA-N 427.158 5.235 30 10 IKEE CCCN1C(=S)N[C@@H](c2cc(Cl)c(OC(C)C)c(Cl)c2)C2=C1CCCC2=O 169929785 CFARUTKNUQGWHG-SFHVURJKSA-N 427.397 5.429 30 10 IKEE CCCCCCCCCOc1ccc([C@@H]2NC(=S)N(C)C(C)=C2C(C)=O)cc1OCC 169937059 AXUXJXLOVPXSCD-DEOSSOPVSA-N 446.657 5.939 30 10 IKEE CCCCCCCCCOc1ccc(-c2[nH]nc3c2CN(C)CC3)cc1Br 169942050 ODYMFPBFWSITIS-UHFFFAOYSA-N 434.422 5.957 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2CCC)cc1 169975875 MIJQJORISMEMCL-HSZRJFAPSA-N 437.536 5.253 30 10 IKEE CC(C)Oc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C2CCCC2)cc1 169979331 BPDHULWMYXBKHD-QFIPXVFZSA-N 439.939 5.648 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]2c2ccccn2)ccc1F 169996470 LQBXLRKRXOBYEU-OAQYLSRUSA-N 436.870 5.274 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@@H]1c1cccnc1)c1cc2ccccc2o1 170004761 OADCOLNIQPUTMB-OAQYLSRUSA-N 448.837 5.403 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2ccccc2C)c1 170037438 VGDBWULQDAAECH-XMMPIXPASA-N 443.499 5.185 30 10 IKEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccc2ccccc12)c1ccc(Cl)cc1 170044787 LFTURLDNIOONNH-CVDCTZTESA-N 447.918 5.251 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccco2)cc1Cl 170092226 PAALJXPJLDNXLU-IBGZPJMESA-N 444.270 5.378 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1cccc(C)c1 170145873 FCOGTOIYUXIYJM-NRFANRHFSA-N 439.895 5.009 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2cccs2)cc1Cl 170155358 SSRSJSHIHCQECM-IBGZPJMESA-N 443.883 5.332 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccncc1)c1ccc(Cl)c(Cl)c1 170198230 TWRLPIIFMJBXJV-GOSISDBHSA-N 445.327 5.228 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCC)cc1 170216174 GCMBJEQNYNXTKB-QHCPKHFHSA-N 437.536 5.171 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccccc1)c1ccc2ccccc2c1 170221860 JZGISZWEAPMQAW-HSZRJFAPSA-N 425.509 5.680 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@H]1c1ccccc1 170223808 FGBGVZFJYFLPKC-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)(C)C)c2)[C@H]1c1ccccc1 170232288 MEDUFAICLAZZHA-HSZRJFAPSA-N 435.564 5.761 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1ccc(C(C)C)cc1 170245787 CVGSVPPGSCPGTP-RUZDIDTESA-N 449.591 6.366 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@H]1c1ccc(CC)cc1 170267623 SYTZOOYEJGLSFS-RUZDIDTESA-N 449.591 6.068 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(OCC(C)C)cc2)=C(O)C(=O)N1Cc1ccco1 170274133 IHPGEXUSRIXQGM-XMMPIXPASA-N 445.515 5.401 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1ccco1 170289975 UKOQRKCYORLPKZ-QHCPKHFHSA-N 445.515 5.677 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2c2cccc(C)c2C)o1 170302571 MPKTUUOTLCMVPF-DEOSSOPVSA-N 443.499 5.313 30 10 IKEE Cn1cc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)c2ccccc21 170395936 SOKCYJFQEBMCQH-HSZRJFAPSA-N 442.902 5.615 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 170466668 MHTIGQSXZFSZHO-QFIPXVFZSA-N 435.564 5.898 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)[C@H]1CCCCCCCCCCC1=O 204832082 VLPBJKXVGVOWTL-MUUNZHRXSA-N 448.776 9.917 30 10 IKEE CCCCCCCOc1ccc(/C=C/C(=O)/C=C\c2ccc(OCCCCCC)cc2)cc1 209902732 ZEWWKIDWNSHWKX-MGYAYREDSA-N 448.647 8.291 30 10 IKEE N#Cc1cc([N+](=O)[O-])ccc1Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F 247640588 HBCAKEFZGRSGFQ-UHFFFAOYSA-N 435.415 5.144 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccc(OC)cc2C)nnc1-c1ccc2ccccc2c1 253567087 JRSSIBLVUQGRIP-UHFFFAOYSA-N 444.560 5.332 30 10 IKEE CN1/C(=C2\SC(=Nc3ccc(F)cc3)N(C3CCCCC3)C2=O)Sc2ccccc21 254296338 RBDMRKYPGQLHFZ-CVJJEBQVSA-N 439.581 6.133 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccc(OC(C)C)c2)c1 526490646 XCTMIOHKQSHPFK-RUZDIDTESA-N 440.499 5.411 30 10 IKEE CCCCOc1cccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 526490818 ZNHBQBYJCFCDRH-RUZDIDTESA-N 442.490 5.933 30 10 IKEE COc1ccc(OC)c([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)c1 526518462 YFQLYSFUOFNRKH-HSZRJFAPSA-N 446.890 5.286 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(Cl)cc2)cc1 526604227 LJCPHMRMPZDXNI-DEOSSOPVSA-N 444.918 6.058 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1ccc(N(C)C)cc1 526814406 QGTNVRBJUDQOIU-CFRMEGHHSA-N 448.423 5.778 30 10 IKEE CCCOc1cc(/C=N\n2c(C)nnc2SCc2cccc3ccccc23)ccc1OC 526821457 UCOCYXNCCRTLPH-QQXSKIMKSA-N 446.576 5.712 30 10 IKEE CCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccc(Cl)cc2Cl)cc1 526824303 VKTPVHUVOOAZKG-FMCGGJTJSA-N 435.380 5.721 30 10 IKEE CC(C)(C)c1ccc(S(=O)(=O)N(CCC2=CCCCC2)Cc2cccc(C#N)c2)cc1 586144248 MHZZNSNPSGVQFP-UHFFFAOYSA-N 436.621 5.937 30 10 IKEE c1ccc(CN(Cc2ccccc2)C2(C/N=C3/NC4(CCCCC4)CCS3)COC2)cc1 687319666 BXKTXFUDMJOBGS-UHFFFAOYSA-N 449.664 5.243 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2cc(Cl)ccc2Br)c1 698420005 RZHZMQTYOOBSRS-SFHVURJKSA-N 435.749 6.417 30 10 IKEE Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1C=NN(Cc1ccccc1)c1ccccc1 1084258171 XXQGMPIEPMVFCB-UHFFFAOYSA-N 425.492 5.438 30 10 IKEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CCC[C@H]1CC 1358880795 SYCJBMVPSQPBPF-JZXOWHBKSA-N 445.405 5.000 30 10 IKEE FC(F)(F)Sc1ccc(C#Cc2ccc(C#Cc3cc4ccccc4s3)s2)cc1 1615217380 QWWYILKTCWYMER-UHFFFAOYSA-N 440.536 7.374 30 10 IKEE CCCCOc1ccccc1C=NN=C1NC(=O)[C@@H](Cc2cccc(C(F)(F)F)c2)S1 1772742523 VWTJQZMIYAUZJX-LJQANCHMSA-N 449.498 5.049 30 10 IKEE C=CCNc1nc(-c2ccnc(NC3CCCCCCCCCCC3)c2)cc2cnccc12 1857816901 OPPAYOIYWIYRBB-UHFFFAOYSA-N 443.639 7.375 30 10 IKEE N#Cc1c(NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)sc2c1CCC2 1860798789 ZWOSEHOKLMYHTA-UHFFFAOYSA-N 431.995 5.616 30 10 IKEE COc1ccccc1-c1csc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)n1 1860807952 XIFRYZDHQRRGBW-UHFFFAOYSA-N 441.603 5.361 30 10 IKEE Cc1cc(C)c(NC(=O)CSc2nc(O)c(C#N)c(-c3ccccc3Cl)n2)c(C)c1 1860826967 MLAAYJKWPDIXHY-UHFFFAOYSA-N 438.940 5.030 30 10 IKEE CCSc1ccc(Cl)cc1CC(=O)Nc1ccc(C(=O)Nc2ccccc2C#N)cc1 1860863153 WDNZPYGXROGLJW-UHFFFAOYSA-N 449.963 5.757 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1Cl 1862379780 KRBVKEGONPKDRC-LJQANCHMSA-N 428.271 5.365 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(OC)cc2)cc1 1862391899 KUCNMELYXITFOI-XMMPIXPASA-N 433.548 5.559 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2cccc(F)c2)cc1C 1862402214 TVRICZUMOPFOAW-HSZRJFAPSA-N 437.511 5.444 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@H]1c1cccc(F)c1)c1cccc(Cl)c1 1862444791 HIDXXZZLYCGXBM-QHCPKHFHSA-N 449.909 5.690 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(OCCCCC)cc1 1862454513 ZHNQVHBSDVJGMV-QFIPXVFZSA-N 439.939 5.673 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862480516 INMNRVPHZWMRDY-SBUREZEXSA-N 442.471 5.243 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccccc2Cl)c1 1862491568 WGXQPBAKQBZDBF-DEOSSOPVSA-N 445.946 5.778 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2[N+](=O)[O-])c1 1862492423 REOBXLQYOIUOGM-QFIPXVFZSA-N 434.492 5.123 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862533156 GWCXWICBWQFKIJ-XMMPIXPASA-N 446.547 5.124 30 10 IKEE CCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(C)cc1 1862554808 LIVQJTJUBGNSDN-RUZDIDTESA-N 448.607 6.296 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CC(C)C)c1 1862582448 FCKOVPSATDVVAY-FQEVSTJZSA-N 448.346 5.626 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2C2CCCCCC2)c1 1862605578 XVLBHRRIUJJXAV-DEOSSOPVSA-N 447.531 5.067 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2Cc2ccccn2)c1 1862613952 UFMPSXJJIMIMPW-DEOSSOPVSA-N 440.543 5.466 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(Cl)c2)cc1 1862616705 CZYDRXGWBIWZGQ-QFIPXVFZSA-N 449.934 6.009 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(C)cc1 1862625951 QXJOKLIJUKWFEI-XMMPIXPASA-N 449.547 5.663 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc2ccccc12 1862657282 WTDIVLJHCICSQD-NRFANRHFSA-N 448.862 5.142 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCc2cccs2)cc1 1862661642 XBEQZYCUJMTLRY-DEOSSOPVSA-N 445.584 6.001 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2[C@H](C)c2ccccc2)c1 1862747567 SFMXJGTUKHSLKT-UZUQRXQVSA-N 442.471 5.243 30 10 IKEE CCCOc1ccccc1NC1=C(c2ccc(C)cc2)C(=O)N(c2ccc(C#N)cc2)C1=O 1862896472 PFJZJBYIPBQVCQ-UHFFFAOYSA-N 437.499 5.052 30 10 IKEE C=CCN1C(=O)C(Nc2cc(Cl)ccc2Oc2ccccc2)=C(c2ccccc2F)C1=O 1863298981 DEMZHMYKYOUOAL-UHFFFAOYSA-N 448.881 5.649 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCC(C)C)=C(c2ccc(OCCC)cc2)C1=O 1863683532 RVTAFBUMWHKFDD-UHFFFAOYSA-N 442.644 5.942 30 10 IKEE CCCCCCCCN1C(=O)C(NC2CC2)=C(c2ccc(OCc3ccccc3)cc2)C1=O 1863707154 BPCNBXYWGSJJKD-UHFFFAOYSA-N 446.591 5.458 30 10 IKEE N#Cc1cc(Br)c(NC(=O)c2cccc(C(F)(F)F)c2)c(Br)c1 1865955987 YWHPZQGMIMJUBD-UHFFFAOYSA-N 448.036 5.354 30 10 IKEE CC(C)c1nc(Nc2ccc(C#N)cc2)cc(N2CCC[C@H]2c2nc3c([nH]2)CCCC3)n1 1868242201 JOGANAJTIYSFHG-NRFANRHFSA-N 427.556 5.159 30 10 IKEE Cc1ccccc1-c1nc(Nc2cccc(C#N)c2)cc(N2CCO[C@@H](c3ccccc3)C2)n1 1868293090 WDYYRSMUKFNQCT-RUZDIDTESA-N 447.542 5.645 30 10 IKEE C[C@@H]1c2[nH]cnc2CCN1c1cc(Nc2ccccc2C#N)nc(-c2ccc(Cl)cc2)n1 1868440855 VTNAFNQBXBADAJ-OAHLLOKOSA-N 441.926 5.259 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC(N3CCCCCC3)CC2)nc(Cc2ccccc2)n1 1869086280 OMMYTFQSNQKVKJ-UHFFFAOYSA-N 445.655 5.091 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC[C@H]2c2ccc(C(F)(F)F)cc2)nc(C(C)(C)C)n1 1869194488 MDAYFCXNUBTDRB-FQEVSTJZSA-N 444.545 6.313 30 10 IKEE Cc1c(Cl)cccc1-n1nnc(C#N)c1NC(=O)c1cccc(Oc2ccccc2)c1 1870154256 USCCFEZKZXFTBD-UHFFFAOYSA-N 429.867 5.145 30 10 IKEE CCCCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CN1C[C@@H](C)C[C@H](C)C1 1870353034 NFMZWYWBGOIGHO-DQEYMECFSA-N 446.720 6.892 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(Cl)cc2)c(CN2CCCCCC2)cc1=O 1870414379 NJYLOPLXDJOSKI-UHFFFAOYSA-N 445.047 6.275 30 10 IKEE C=CCn1cc(OCCCOc2ccc(CC)cc2)c(=O)cc1CNc1cc(C)ccc1C 1870881103 PWQHKBLAWHMEOJ-UHFFFAOYSA-N 446.591 5.674 30 10 IKEE CCCCCCCCn1cc(OCC(=O)NCCC)c(=O)cc1CNc1ccc(C)cc1 1871135374 ZDCOBADGRNTTAE-UHFFFAOYSA-N 441.616 5.034 30 10 IKEE CCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1cc(Cl)ccc1C 1871251217 TXKFNKBALHJIDU-UHFFFAOYSA-N 435.955 5.673 30 10 IKEE CCc1ccc([C@H](C)N2COc3c(cc4c(c3C)O/C(=C\c3ccccc3)C4=O)C2)cc1 1871359824 CYPYMEVSGDDCPI-ILRHRSLTSA-N 425.528 6.087 30 10 IKEE O=C(COc1ccc(Cl)cc1Cl)Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O 1871367406 JVRDVGMKIBZSAZ-GRSHGNNSSA-N 447.295 5.656 30 10 IKEE Cc1cc(OC(=O)c2ccc(Cl)c(Cl)c2)cc2c1C(=O)/C(=C/c1ccccc1F)O2 1871372171 CQOUGIHVJVPHIK-JMIUGGIZSA-N 443.257 6.276 30 10 IKEE O=C1/C(=C/c2cccc([N+](=O)[O-])c2)Oc2cc(OCCCCOc3ccccc3)ccc21 1871403621 PYQYLZAESAVOPY-JLPGSUDCSA-N 431.444 5.449 30 10 IKEE CC(C)=C1Oc2cc(O[C@H](C)C(=O)Nc3ccc(Br)cc3)cc(C)c2C1=O 1871410335 YKIBHNBSWVCTQW-CYBMUJFWSA-N 430.298 5.033 30 10 IKEE COc1ccc(Cl)cc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccccc1)C2=O 1871452681 NDMPKIPFYRMCEH-JJFYIABZSA-N 449.890 5.291 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc(Cl)c4)ccc3C2=O)cc1 1871454480 MMQNEUMFLAKFOX-MSXFZWOLSA-N 447.918 6.097 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCc4cccc(C)c4)cc(C)c3C2=O)c(OC)c1OC 1871455060 JPGCKLHQPRRNEA-QRVIBDJDSA-N 446.499 5.524 30 10 IKEE CCCCc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871455570 UHXSVUJFZCETLS-QQXSKIMKSA-N 441.527 5.971 30 10 IKEE Cc1cc(OCC(=O)Nc2ccccc2Cl)cc2c1C(=O)/C(=C/C=C/c1ccccc1)O2 1871455714 WBRONBRWPGSITL-JEUHMODBSA-N 445.902 5.838 30 10 IKEE C=CCN(CC=C)c1nc(=NCCCCCCCCCC)nc(Nc2ccc(C)cc2)[nH]1 1871478500 AGRCYLQTWMQCCT-UHFFFAOYSA-N 436.648 6.077 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1cc(C)ccc1C 1872059218 FNXFNDWSFDXOAY-JOCHJYFZSA-N 446.588 5.125 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1 1872458093 GUYLPEARMXMXLS-QFIPXVFZSA-N 449.016 5.331 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cc(Cl)ccc1C)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1872471685 HTUHGNMXBXIDKD-JTSKRJEESA-N 449.016 5.269 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(C)cc1C)[C@@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1872537788 UBQDEBGQGITZIH-HTAPYJJXSA-N 449.016 5.187 30 10 IKEE CCc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 1872760877 ZTYAAWVPIYYYHX-DEOSSOPVSA-N 440.568 6.561 30 10 IKEE CCc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(OC)cc3C(C)(C)C)n2)cc1 1872760991 CVJQFEJMYFQLPL-FQEVSTJZSA-N 448.588 5.934 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(C(C)(C)C)cc3)n2)cc1OC 1872761388 MFGPXZSJPBNXMH-MEJUDOHFSA-N 446.572 6.014 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccccc3OCC)n2)cc1 1872769743 AXQVYXQMWPXYFW-LJQANCHMSA-N 436.533 5.253 30 10 IKEE CCCCCCCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3C)n2)cc1 1872777138 HGDVQRFPMRBARI-QHCPKHFHSA-N 432.589 6.958 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)c2ccc(N(C)C)cc2)n1 1872777802 WNSTZTYOLKQRRF-HXUWFJFHSA-N 433.577 5.672 30 10 IKEE Cc1cc(C)c(-c2csc([C@H](C#N)C(=O)c3c(Cl)ccc(Cl)c3Cl)n2)c(C)c1 1872786876 VHDIOACYKCJWMF-CYBMUJFWSA-N 449.790 7.186 30 10 IKEE C=CCc1ccccc1OCc1cccc(C(=O)Nc2ccc(C(=O)OCC(C)C)cc2)c1 1872833907 HEXIQNYUVIHIBU-UHFFFAOYSA-N 443.543 6.059 30 10 IKEE COc1ccc(NC(=O)c2ccc(CSc3nc(C)c(C)c(C)c3C#N)cc2)c(OC)c1 1872895270 LHIHTOUZKQPAMW-UHFFFAOYSA-N 447.560 5.440 30 10 IKEE Cc1cc(C)c(C2=C(Nc3ccccc3C#N)C(=O)N(C3CCCCCC3)C2=O)c(C)c1 1873329112 HKXYJPRNDFPQCD-UHFFFAOYSA-N 427.548 5.398 30 10 IKEE COc1cc(/C=N/Nc2oc(-c3cccs3)nc2C#N)ccc1OCc1ccccc1 1873461985 IHLIDUJBCDMTQN-AFUMVMLFSA-N 430.489 5.308 30 10 IKEE CCCCCCCCNC(=O)[C@@H](C)Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 1873891428 BPWTUSFSKUXAGT-MRXNPFEDSA-N 433.976 5.569 30 10 IKEE C=C(C)CSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1sccc1C 1874255325 VTBWREGWYHLCMT-FOKLQQMPSA-N 426.611 5.703 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1ccc(OC)cc1OC 1874287456 GCKGTLKTESZRSR-KOEQRZSOSA-N 442.629 5.920 30 10 IKEE Cc1ccc(Cc2nnc(SCCCO)n2/N=C/c2ccc(Cl)cc2Cl)cc1C 1874359042 MCLUCTZPWXPMST-ZMOGYAJESA-N 449.407 5.149 30 10 IKEE Cc1cccc(/C=N/n2c(COc3ccccc3)nnc2SCc2cccc(F)c2)c1 1874383589 SQDPKGJJYHFQEK-CVKSISIWSA-N 432.524 5.479 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3)n2/N=C/c2ccccn2)c1 1874403499 DFYFVHZGLNCCFJ-WPWMEQJKSA-N 427.577 5.250 30 10 IKEE C=CCSc1nnc(Cc2ccccc2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874418594 XVKCVHKPFGLKQO-ZXVVBBHZSA-N 440.572 5.608 30 10 IKEE CCCOc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccc(F)cc2)cc1 1874437139 MBEBCBACBCJDJV-WGOQTCKBSA-N 440.588 5.969 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2-c2ccco2)cc1 1874468697 UNQKRAYCYBMKHV-WYMPLXKRSA-N 443.359 6.328 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C(C)(C)C)cc1 1874486139 CQTZRPNGYVYODN-LGJNPRDNSA-N 445.007 6.666 30 10 IKEE C=CCSc1nnc(CCC)n1/N=C/c1cccc(OC)c1OCc1cccc(C)c1 1874508428 CUKUJFIDRLQQBV-PCLIKHOPSA-N 436.581 5.287 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccccc1OC(C)C 1874529136 TYQQPYININAEFO-WYMPLXKRSA-N 432.952 5.595 30 10 IKEE Fc1ccc(COc2cccc(/C=N/n3c(S)nnc3-c3ccccc3Cl)c2)cc1 1874562087 BDABEYHJKQBSMG-DHRITJCHSA-N 438.915 5.488 30 10 IKEE Cc1ccccc1CCc1nnc(S)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874562112 CMDTVYDQNGDNNB-YZSQISJMSA-N 428.561 5.122 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Br)ccc2OCc2ccc(C)cc2)cc1 1874574913 LHVJJEBZXGQOHP-UKTHLTGXSA-N 437.333 6.241 30 10 IKEE O=C(/C=C/c1cc(Br)ccc1OCc1ccccc1F)c1ccc(F)cc1F 1874576783 GEQNCCKJLBANIH-WEVVVXLNSA-N 447.250 6.342 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3ccccc3c2/C=C/C(=O)c2ccc(C)c(C)c2)cc1 1874588409 KWHCQAQSZVPGES-FOCLMDBBSA-N 449.550 6.679 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCc3c(Cl)cccc3Cl)c2)c(OC)c1 1874598913 LZJCECZRTMENPQ-FMIVXFBMSA-N 443.326 6.486 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCC(=O)N[C@H](C)c1ccccc1 1874616844 WBOPSTKUZSETPB-WLEBTQASSA-N 429.516 5.156 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OCc1ccc(C)cc1 1874634015 HOMGJLUUGOADNC-ZHACJKMWSA-N 434.963 7.057 30 10 IKEE CCCCCCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(C)cc1 1874666932 TVXNCKLBQSLLLQ-AREMUKBSSA-N 447.623 5.571 30 10 IKEE COc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(Cl)cc3)c2)cc1[N+](=O)[O-] 1874701050 ZFAPMJRPSGYZFF-VZUCSPMQSA-N 437.835 5.372 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1)c1ccc(Cl)c(Cl)c1 1874702911 PQGAAISYFPTKBJ-NYYWCZLTSA-N 431.702 6.762 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1OC(=O)c1ccc(C)c(C)c1 1874706651 SMPYIFQPRVFHGZ-WEVVVXLNSA-N 444.483 5.199 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cc(Cl)ccc2Cl)cc1)c1cccc([N+](=O)[O-])c1 1875084982 JQXWWZVWCRWXFL-IZZDOVSWSA-N 442.254 6.017 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3cccc(C)c3)cc2)c1 1875102623 KRAJGAHTGXPPNH-DTQAZKPQSA-N 430.500 5.664 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)c1ccc(OCC(C)C)cc1 1875128746 SAUTXIVOHVLXAU-MHWRWJLKSA-N 444.527 6.235 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)c1cccc(Cl)c1 1875134361 YSFWLGFXZCPFKS-FMIVXFBMSA-N 434.919 6.471 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(OC)c(OC(=O)Cc2ccccc2)c(OC)c1 1875143642 JYQZFGZTUYYYFI-VAWYXSNFSA-N 446.499 5.065 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)c(C)c3)cc2)c1 1875145713 PIKFOENFINHVDM-KPKJPENVSA-N 434.463 5.196 30 10 IKEE Cn1c(C(=O)Oc2ccc(/C=C/C(=O)c3cccc4ccccc34)cc2)cc2ccccc21 1875153868 BWFUYAFRJOPWJK-OBGWFSINSA-N 431.491 6.447 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)C(F)(F)F 1875156112 KZTDOIJJDMYJMO-RUDMXATFSA-N 426.818 5.836 30 10 IKEE COc1cc(C(=O)/C=C/c2ccc(OC(=O)c3ccco3)c(Cl)c2)c(OC)cc1Cl 1875174094 ZUKPPKMNIMRNNG-FNORWQNLSA-N 447.270 5.719 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)c(C)c3)c(Cl)c2)cc1C 1875175566 WAHZFTUMZQUNMM-UXBLZVDNSA-N 436.910 6.449 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)Cc1ccc(F)c(C)c1 1875178754 AGYBKBYURCMVKG-YRNVUSSQSA-N 432.491 5.804 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)cc3)c(OC)c2)cc1C 1875190561 VGYJLIVAJXDOTG-ZRDIBKRKSA-N 444.527 5.673 30 10 IKEE C=C(COCC)[C@H](NC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875689110 BPVYAHPXXWCYGG-NSOVKSMOSA-N 447.575 5.059 30 10 IKEE O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1C(F)(F)F 1889570771 AIMKIVXAQUQYNT-ZDUSSCGKSA-N 445.281 5.206 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@@H](CNC(=O)OC(C)(C)C)C1CCCC1)NCC 1922078924 AXNKUPUGRSLMDP-BJKOFHAPSA-N 430.633 5.459 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc([C@@H](C#N)N(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)c1 1944064950 XQSJMTIUJHITTD-RBUKOAKNSA-N 431.533 5.014 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](NC(=O)OC(C)(C)C)C1=CCC=CC1 1949775675 YCEQKDCFQSDSTR-DNQXCXABSA-N 426.601 5.297 30 10 IKEE C[C@@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)[C@H](OCc2ccccc2)C1 1998819099 QQKAARZSXXUQPF-WIOYSNFSSA-N 426.601 6.224 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)C12CCC2 2005325491 KHVNQMBEVVDMME-OSPHWJPCSA-N 433.593 5.143 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C1(NC(=O)OC(C)(C)C)CC(C2CCC2)C1 2047999853 NJEKNNDFZWWWDB-IDZWTHILSA-N 442.644 5.601 30 10 IKEE C=CC1(C[C@H](NCC)C2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)CCC1 2049039105 BMJHWIKIIVCGKR-QHCPKHFHSA-N 441.660 5.270 30 10 IKEE CC#CC[C@H](NCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071348767 JUDWCAXWPIMKBP-LSYYVWMOSA-N 429.560 5.270 30 10 IKEE CC1(C)OB([C@@]23C[C@H]2CCN(C(=O)c2cscc2OCc2ccccc2)C3)OC1(C)C 2073753686 DUQGZSWWSQFBTF-HOYKHHGWSA-N 439.386 5.026 30 10 IKEE CC1(c2nn([C@H](c3ccc(C(F)(F)F)cc3F)C3CC3)c(Br)c2C#N)CC1 2079943681 FYCHHHUIMPOJHN-HNNXBMFYSA-N 442.254 5.726 30 10 IKEE N#Cc1c(-c2ccccc2)nn(Cc2ccc(C(F)(F)F)cc2Cl)c1Br 2080352335 ODNYJMSGXBFOSD-UHFFFAOYSA-N 440.650 5.905 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)C[C@@H]2CCCC[C@]2(C)C1 2154234303 OWNNQFDYJSNPKZ-KNXBSLHKSA-N 433.390 6.443 30 10 IKEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H](CNc2ccc(C#N)c(Br)c2F)C1 2162344895 RAXWRTWLEWFMIV-AWEZNQCLSA-N 440.357 5.155 30 10 IKEE Cc1cc(F)c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)c(Br)c1 2173403959 ANJIQWUOYUIHPZ-QGZVFWFLSA-N 437.284 6.042 30 10 IKEE C[C@H]1CCCN(c2ccc(C#N)cc2Br)[C@H]1CCCNC(=O)OC(C)(C)C 2174808314 MNBYXRXZMBVEEK-YJBOKZPZSA-N 436.394 5.231 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(C#N)c(Br)c2)C[C@@H]1C1CCC1 2194111598 LHUXPKYBWSKITI-PKOBYXMFSA-N 434.378 5.301 30 10 IKEE C=C(C)C[C@@H](NCCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229126795 OMXAHLSKMWPXMQ-MOPGFXCFSA-N 425.411 5.219 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2sc(C)c(C)c2Br)cc1 2229242508 WISNJONFPZOVTH-INIZCTEOSA-N 435.387 6.442 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C)(CNc2cc(Br)c(C#N)cc2F)CC1(C)C 2236744033 HDLKHFVAZVYHOM-HXUWFJFHSA-N 440.357 5.297 30 10 IKEE C=CCCC[C@@H](NCCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237422456 VWFAZOFHAJUUES-WOJBJXKFSA-N 439.438 5.609 30 10 IKEE CC(C)[C@@H](C)N(Cc1ccccc1)C(=O)c1cc(Cl)cc(B2OC(C)(C)C(C)(C)O2)c1 2255824480 IXPXYPSQLOBMFA-GOSISDBHSA-N 441.808 5.326 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@H](C#N)c1sc(Cl)cc1Br 2259921221 OHELGQDMQYEVRW-CQSZACIVSA-N 447.826 6.689 30 10 IKEE C=C(C)CCCC[C@@H](O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2271755598 NFKQWTYZCFAGLH-RBUKOAKNSA-N 426.395 5.382 30 10 IKEE C=C(C)C[C@@H](OCCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2275759644 DETOLSKFLQEKRX-AREMUKBSSA-N 446.543 6.343 30 10 IKEE CCOc1cc(C=C2SC(=Nc3ccccc3)NC2=O)cc(Br)c1OCC 2293727236 CIMKPWCYDIVTHT-UHFFFAOYSA-N 447.354 5.138 30 10 IKEE CN[C@@H](C#Cc1ccc(Br)cc1)CC1(NC(=O)OC(C)(C)C)CCCCC1 2296311081 RSYDTXODOBYZHF-IBGZPJMESA-N 435.406 5.006 30 10 IKEE CCn1cc(C=C2Oc3cc(OCc4c(F)cccc4Cl)ccc3C2=O)c2ccccc21 2296871827 IANJMAAMINZOIL-UHFFFAOYSA-N 447.893 6.649 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 2302571516 LHRCMIJOCUWRHV-KVSKMBFKSA-N 449.979 5.667 30 10 IKEE CC(=O)Nc1ccc(C(=O)C=Cc2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)cc1 2314523395 UBNUHPNXAVIJEG-UHFFFAOYSA-N 433.813 6.473 30 10 IKEE CCCCOc1ccc(C=C2SC(=Nc3cccc(O)c3)N(CC)C2=O)cc1OC 2314928654 ZQHSWCXRRWVJPO-UHFFFAOYSA-N 426.538 5.204 30 10 IKEE CCCCCC=CCC=CCCCCCCCC(=O)ON1C(=O)c2ccccc2C1=O 2317776806 AIDWYSIDDZLALT-UHFFFAOYSA-N 425.569 6.554 30 10 IKEE CC(C)(C)OC(=O)NC1([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)CCCCC1 2318920305 IBUXVWYDLZDJTC-IBGZPJMESA-N 447.551 5.687 30 10 IKEE C=C(C)CSc1nnc(C2CC2)n1N=Cc1ccc(OCCCCC)c(OCC)c1 2320850082 QGAWMLPFHHTPIV-UHFFFAOYSA-N 428.602 5.674 30 10 IKEE CC(C)[C@H]1C[C@@](C#N)(Nc2cccc(Br)c2)CN1C(=O)OCc1ccccc1 2321365169 MRTBSUNEFBWYDE-IRLDBZIGSA-N 442.357 5.190 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1c(C)nn(C)c1C 2321802309 ZWOKDTJLDAVZHQ-UHFFFAOYSA-N 437.400 5.062 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc4c3CN(CCc3ccc(Cl)cc3)CO4)C2=O)c1 2321928152 OYFZUNZPWLRPGM-UHFFFAOYSA-N 431.919 5.659 30 10 IKEE CCOc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN([C@H](C)c2ccccc2)C4)cc1 2322092511 BGHXACIHBXOJLG-LJQANCHMSA-N 441.527 5.923 30 10 IKEE Cc1ccc(C)c(COc2ccc3ccccc3c2C=CC(=O)c2ccccc2Cl)c1 2322436514 ZMWAVBHXNUTVMW-UHFFFAOYSA-N 426.943 7.585 30 10 IKEE Cc1ccc(C)c(COc2ccc3ccccc3c2C=CC(=O)c2cccc(Cl)c2)c1 2322524781 VPZWBSFZIXUDRN-UHFFFAOYSA-N 426.943 7.585 30 10 IKEE COc1cc(Br)cc(C=CC(=O)c2cccc3ccccc23)c1OCCCO 2322724762 GEPPPQSPFSBWBO-UHFFFAOYSA-N 441.321 5.268 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccccc1OCc1cccc(C)c1 2322828277 JPHPGNZROFAPQU-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE COc1cccc2cc(C(=O)Oc3cc(C)c4c(c3)OC(=Cc3ccc(C)o3)C4=O)oc12 2322860522 HBKSCPNHVWRMNE-UHFFFAOYSA-N 430.412 5.487 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4cccc(Br)c4)cc(C)c3C2=O)o1 2322942253 BCSZUJSKGFDABL-UHFFFAOYSA-N 439.261 5.494 30 10 IKEE CCCOc1c(OC)ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)c1Br 2323190076 GZKBXTBHRRZRNN-UHFFFAOYSA-N 431.370 6.440 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4ccc(Cl)c(Cl)c4)ccc3C2=O)cc1 2323259181 QQKNDDIBKZATBQ-UHFFFAOYSA-N 425.267 6.137 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2cccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)c2)c1 2323259733 XZLIJXNHZDDPSQ-UHFFFAOYSA-N 441.571 6.451 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cccc(C)c3C)c(OC)c2)cc1 2323485632 IHLYPVABKLIVTF-UHFFFAOYSA-N 443.543 5.788 30 10 IKEE CCCCCCCCCOc1ccc(C=Nn2c(SC)nnc2C(C)C)cc1OC 2323580390 IHVUBCUIZICJLU-UHFFFAOYSA-N 432.634 6.144 30 10 IKEE CSc1nnc(Cc2ccccc2)n1N=Cc1ccc(OCCCc2ccccc2)cc1 2323581601 YUHYFIVUDPBTLN-UHFFFAOYSA-N 442.588 5.485 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc(-n5cccc5)cc4)c3C)C2=O)cc1 2323676436 WAAAPGOTLPKINV-UHFFFAOYSA-N 435.479 5.930 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccnc2)C3=O)c(OCC)c1 2323784571 OXOBMQUVJLUJJN-UHFFFAOYSA-N 445.471 5.023 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)NC3CCCCC3)c(Cl)c2)c(C)c1 2323854579 XMIXUJCXYAANQW-UHFFFAOYSA-N 425.956 5.681 30 10 IKEE C=CCOc1c(Br)cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1OC 2324070657 XWVQMDWJKTTXBP-UHFFFAOYSA-N 429.354 6.216 30 10 IKEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2[N+](=O)[O-])o1 2324161838 UQAPCQXNTSVYBK-UHFFFAOYSA-N 449.459 5.573 30 10 IKEE C=C(C)COc1c(Br)cc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OCC 2324171822 QTWUBTSYHWVRQL-UHFFFAOYSA-N 443.381 6.822 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2F)c(Br)c1)c1ccc(F)cc1 2324187042 FGGAQSCJKBRBJN-UHFFFAOYSA-N 429.260 6.202 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OCc1ccccc1F 2324305832 QAXBCEYBZGHZRF-UHFFFAOYSA-N 434.507 6.325 30 10 IKEE C[C@@H](Oc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O)C(=O)Nc1ccc(F)cc1 2324305865 XINUJJNEUKOXSF-CQSZACIVSA-N 437.854 5.501 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc(C)o1)C2=O 2325007771 WEDCDPWFDRGBBT-UHFFFAOYSA-N 431.488 5.401 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(F)c(F)c2F)ccc2c1OC(=Cc1cccs1)C2=O 2325532302 JALLNSTUJUZDQT-UHFFFAOYSA-N 445.418 5.108 30 10 IKEE COc1cc(C=Nn2c(C)nnc2SCc2cccc(Cl)c2)ccc1OC(C)C 2325633061 IDDQFABSCNWARJ-UHFFFAOYSA-N 430.961 5.210 30 10 IKEE CCCOC(=O)c1ccc(NC(=O)C(=O)C=Cc2cccc(OCc3ccccc3)c2)cc1 2325669324 RNTQHSAYHDNQSK-UHFFFAOYSA-N 443.499 5.053 30 10 IKEE O=C(C=Cc1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc(OC(F)(F)F)cc1 2325669737 YPTDBSUPQPSREW-UHFFFAOYSA-N 441.405 5.385 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)[C@H](C)Oc3ccc(Cl)cc3)c2)c(C)c1 2325736253 GLHUWEJWQJQNED-IBGZPJMESA-N 434.919 6.226 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc4cc(Cl)ccc4n3)c2)c(C)c1 2325736491 WSMYLNXUQVMKAS-UHFFFAOYSA-N 441.914 6.620 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4cccc(C)c4C)c3C)C2=O)cc1 2325738329 YSCMMYJYWOKZLG-UHFFFAOYSA-N 441.527 5.808 30 10 IKEE COc1ccc(OCCCC(=O)Oc2cccc(C=CC(=O)c3ccc(F)cc3)c2)cc1 2325751356 QTBRNKGIPQIBNT-UHFFFAOYSA-N 434.463 5.495 30 10 IKEE CCCCCCC(=O)Oc1cc(C=CC(=O)c2ccc(OC)cc2OC)ccc1OC 2325761059 JGGNCLMRQAHFNS-UHFFFAOYSA-N 426.509 5.484 30 10 IKEE CCSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1c[nH]c2ccccc12 2325912122 KGGIHEAIEBWDSQ-UHFFFAOYSA-N 446.363 5.639 30 10 IKEE CCCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccc(OC)cc1 2326021225 ZXATWBPDAPVHSU-UHFFFAOYSA-N 444.988 5.336 30 10 IKEE Cc1cc(C)cc(CSc2nncn2N=Cc2ccccc2COc2ccccc2)c1 2326393077 NLWPHTAXMOMTOI-UHFFFAOYSA-N 428.561 5.648 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccccc1OCC(C)C 2326637563 GWHLRGWAMWSWFR-UHFFFAOYSA-N 444.604 6.203 30 10 IKEE C=CCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccc(C(C)C)cc1 2327296618 KMULSXBYWJZBNA-UHFFFAOYSA-N 434.609 6.066 30 10 IKEE C=CCSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1ccc(F)cc1F 2327383399 XRMFGKIWUMWMEW-UHFFFAOYSA-N 428.508 5.248 30 10 IKEE Cc1ccc(CSc2nnc(Cc3cccc4ccccc34)n2N=Cc2ccccn2)cc1 2327705052 RWPPPAZEVNWTPD-UHFFFAOYSA-N 449.583 5.900 30 10 IKEE Clc1ccccc1CCc1nnc(SCc2ccccc2)n1N=Cc1cccs1 2327956852 HDGOFIMWUKSARI-UHFFFAOYSA-N 439.009 5.953 30 10 IKEE COc1cccc(CCc2nnc(SCc3ccccc3)n2N=Cc2sccc2C)c1 2328640969 RJWUKHQJTCWKDP-UHFFFAOYSA-N 448.617 5.616 30 10 IKEE Cc1ccccc1CSc1nnc(CCOc2ccccc2)n1N=Cc1ccccc1 2329159083 MVLUMJCLIJRBAF-UHFFFAOYSA-N 428.561 5.383 30 10 IKEE Oc1cccc(C=Nn2c(COCc3ccccc3)nnc2SCc2cccc(F)c2)c1 2329320601 YYDMJMFSZYOXAX-UHFFFAOYSA-N 448.523 5.014 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2F)n1N=Cc1cccs1 2329488230 QSALXUQJTAHDIW-UHFFFAOYSA-N 436.581 5.747 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2cccc(Cl)c2)n1N=Cc1cccs1 2329777505 YWFMGRKZBBHXHM-UHFFFAOYSA-N 442.972 5.897 30 10 IKEE Clc1cccc(CSc2nnc(COc3ccccc3)n2N=Cc2cccs2)c1 2329923257 UCOSPDNRHDMAOY-UHFFFAOYSA-N 440.981 5.747 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCCc2ccccc2)n1N=Cc1ccccc1Cl 2330113352 YNNROICTRHXSJX-LJQANCHMSA-N 447.007 6.300 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2cccc3ccccc23)n1N=Cc1ccco1 2330125323 VHQWDEAKMLOGML-IBGZPJMESA-N 438.556 6.351 30 10 IKEE Clc1ccc(C=Nn2c(Cc3cccs3)nnc2SCCc2ccccc2)cc1 2330396300 FPNIMZIRVMQHPD-UHFFFAOYSA-N 439.009 5.801 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c(OC)c2)cc1 2330770499 WQSYRFFZWFEOON-UHFFFAOYSA-N 431.444 5.281 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(Cl)c3)c(Cl)c2)c1 2330782963 HJIVOSVFXJVGRL-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE Cc1cccc(CSc2nnc(CC(C)(C)C)n2N=Cc2c(F)cccc2Cl)c1 2330821918 BEYVLXSIROSYAB-UHFFFAOYSA-N 430.980 6.142 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)ccc1OC(=O)Cc1ccc(F)cc1 2330939259 NVWGOZVSEOVHNH-UHFFFAOYSA-N 438.882 5.922 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCc3ccccc3C)nnc2C2CCCC2)cc1 2331030265 RYVRSJJXKUKOCZ-UHFFFAOYSA-N 448.636 6.598 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)c1ccc(OC)c([N+](=O)[O-])c1 2331180306 VMERDVOLWQBXKB-UHFFFAOYSA-N 447.443 5.117 30 10 IKEE Oc1ccccc1C=Nn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccco1 2331226501 DGHXOQCLAKCLHL-UHFFFAOYSA-N 445.331 5.725 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3ccccn3)c(OC)c2)cc1 2331300621 XGWJFCFWLKLUCG-UHFFFAOYSA-N 447.487 5.003 30 10 IKEE C=CCSc1nnc(CCCC)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2331343062 QZFXASQRSOVGCP-UHFFFAOYSA-N 441.000 6.013 30 10 IKEE Cc1ccccc1CSc1nnc(CC(C)C)n1N=Cc1c(Cl)cccc1Cl 2331432636 OGHGLQGMCPJWDG-UHFFFAOYSA-N 433.408 6.266 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3F)c(Cl)c2)cc1 2331493313 WADNSBYJGKZRDT-UHFFFAOYSA-N 436.910 6.647 30 10 IKEE COc1cccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CCC2)c1 2331534535 WSYLOGSZCDBGMC-UHFFFAOYSA-N 428.561 5.882 30 10 IKEE CCCOc1cccc(C=Nn2c(COC)nnc2SCc2cccc(Cl)c2)c1 2331608593 JKRDFONHZYIZRP-UHFFFAOYSA-N 430.961 5.041 30 10 IKEE CCCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1N=Cc1ccc(C(C)C)cc1 2331630129 PMKVXOVHJQNYTQ-UHFFFAOYSA-N 449.624 5.584 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3c(C)ccc(C)c3C)cc2)cc1C 2331704663 RFOJPNJJCAQADC-UHFFFAOYSA-N 428.528 6.109 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)cc3OC)cc2)cc1 2331716757 KCLWAEOBDYJYLQ-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE CCCC[C@@H](CC)COCc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1 2377302617 BDQYPTJLUWNEPB-MRXNPFEDSA-N 425.216 5.481 30 10 IKEE COc1cc(N/C=C\C(=O)c2ccc3noc(-c4ccc(C)cc4)c3c2)cc(OC)c1OC 8763326 ZFVFPFCJROGTFS-QXMHVHEDSA-N 444.487 5.638 30 10 IKEE Cc1ccc(Cl)cc1NC1=C/C(=N\S(=O)(=O)c2cccs2)c2ccccc2C1=O 17823489 BGOWMRGDUSUEFJ-HKOYGPOVSA-N 442.949 5.080 30 10 IKEE CC(C)Oc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)cc1 21233735 OKWDKTPWKSSTEP-WTYVLRPYSA-N 442.534 6.592 30 10 IKEE CC(C)Oc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)cc1 21233744 OKWDKTPWKSSTEP-NGOKVRLYSA-N 442.534 6.592 30 10 IKEE COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccncc2)c1 21236223 SHZONUADICXSLJ-WGDIFIGCSA-N 427.504 5.078 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2F)cc1 21238872 FCZNGMWZIUOPOR-GDJIYFAZSA-N 442.534 6.594 30 10 IKEE N#Cc1c(/C=C\c2ccc3c(c2)OCCO3)cc(-c2ccccc2)n2c1nc1ccccc12 33502839 OFLWHDSRSVAYBP-BENRWUELSA-N 429.479 5.968 30 10 IKEE C=CCNC(=O)N(Cc1cccc(C)c1)c1ccc(CC(=O)N[C@H](C)c2ccccc2)cc1 34680146 SKKPBGOIJDORAO-JOCHJYFZSA-N 441.575 5.317 30 10 IKEE COc1ccccc1Oc1cc(-c2ccccc2)nc(SCc2cccc(C#N)c2)n1 36349470 LSFIAWALSCYTGE-UHFFFAOYSA-N 425.513 6.108 30 10 IKEE N#Cc1ccc(Nc2cc(C(F)(F)F)ccc2Nc2ccccc2C(=O)O)c(C(=O)O)c1 38800704 FSVPXPWLDIWUOC-UHFFFAOYSA-N 441.365 5.461 30 10 IKEE C/C(=C1/S/C(=N/c2ccncc2Cl)N(C2CCCCC2)C1=O)c1cccc(N)c1 39864654 LRSSHIRMNBFYSU-SMAGERFBSA-N 426.973 5.644 30 10 IKEE C=CCOc1cccc([C@@H]2C(C(=O)c3cccc(OCCC)c3)=C(O)C(=O)N2CCCC)c1 40101520 WNVJVXYJHVRDKG-XMMPIXPASA-N 449.547 5.419 30 10 IKEE C/C(=N\Nc1nc(S[C@H](C)c2nnc(C(C)C)o2)n[nH]1)C12CC3CC(CC(C3)C1)C2 59879827 AFCGBIAOQTUFAF-BPRZHEEVSA-N 429.594 5.169 30 10 IKEE CC[C@H]1CS/C(=N/c2ccccc2)N1C(=O)c1ccccc1OCc1ccccc1C 96576476 IIGXAWNSQXYINQ-KQEYZTLISA-N 430.573 6.229 30 10 IKEE CCCCCCCCCCCCCC(=O)Nc1ccccc1C(=O)N1CCN(C)CC1 100442044 BUBCHWACAZJRRW-UHFFFAOYSA-N 429.649 5.714 30 10 IKEE CCCCCCCCCCn1c([C@@H](C)NC(=O)CCc2ccccc2)nc2ccccc21 102124990 DWNXEBNYBRENHE-HSZRJFAPSA-N 433.640 6.987 30 10 IKEE Clc1ccc(CSc2nncn2/N=C\c2ccccc2OCc2ccccc2)cc1 139665829 LPKYVKAFBGIDMP-WGARJPEWSA-N 434.952 5.685 30 10 IKEE COc1ccccc1-c1csc(N/N=C\c2cccc(OC)c2OCc2ccccc2)n1 169940533 UPUIJLOOWLLPPS-YSMPRRRNSA-N 445.544 5.852 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2cccc(C)c2)cc1 169968990 HCOBXTQBXMNKSM-AREMUKBSSA-N 449.506 5.940 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2c2ccc(Cl)cc2)c1 169969855 OXLYLQIDGCSYEK-QFIPXVFZSA-N 447.874 5.160 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@@H]2c2ccccn2)s1 169992459 RKHCVBJEVJETGL-HXUWFJFHSA-N 447.560 5.235 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C2CCCC2)cc1 170033979 QBZYAKRSDQYPFF-QFIPXVFZSA-N 439.939 5.650 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(Cl)cc1 170059832 DHXSXBHQNXOYIH-JOCHJYFZSA-N 439.939 5.568 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2cccc(O)c2)cc1 170081029 SCOGSKBAXQSAAS-QFIPXVFZSA-N 433.891 5.391 30 10 IKEE Cn1cc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2C2CCCC2)c2ccccc21 170085946 IFUZGNDMTDHUAD-VWLOTQADSA-N 428.532 5.018 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccccc1OC(C)C 170150724 LTMCPMZTFOXBNX-HSZRJFAPSA-N 432.520 5.334 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1ccc(OC(C)C)cc1 170151854 LVGPCCNPHVVZRX-HSZRJFAPSA-N 437.536 5.169 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@@H]1c1ccccn1 170170025 FBYRPSCMIXYWQO-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1ccccn1 170170743 FCTBAKMJCRCCNL-NRFANRHFSA-N 448.906 5.143 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@@H]1c1cccc(OCC)c1 170217945 QSRJMHXMUCPRLI-NRFANRHFSA-N 443.927 5.126 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(Cl)cc1 170235240 ZBRHXPXYLSVXTQ-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(Cl)cc2)cc1C 170235514 IIZHTLZAQYNHHP-OAQYLSRUSA-N 437.879 5.029 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccc(F)cc2)cc1 170239776 KCLVWEFLCFUSKR-XMMPIXPASA-N 445.490 5.704 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@@H]2c2ccco2)cc1C 170283412 CJFYDOXHUQXTGZ-HSZRJFAPSA-N 431.488 5.332 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccco2)c1 170285540 FZRBOPPUUIOMIW-HSZRJFAPSA-N 431.488 5.467 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]2c2ccco2)s1 170288487 FLQLCQKFVOOBBE-QGZVFWFLSA-N 428.897 5.098 30 10 IKEE Cc1nc(-c2ccccc2)sc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccco1 170293416 VJKWADMNNOHOIB-FQEVSTJZSA-N 448.544 5.623 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@@H]1c1ccc(C)o1 170309814 PRRRTFXCAXEADK-IBGZPJMESA-N 446.341 5.427 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1CCOC(C)C 170313248 DXMXCKIXBJDUJS-NRFANRHFSA-N 435.545 5.213 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2sccc2C)cc1 170316625 PCXIBVHTXURKGE-OAQYLSRUSA-N 448.544 5.019 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cccc(OCCC)c1 170323328 SRMHIZFOHLGJNK-VWLOTQADSA-N 447.575 5.733 30 10 IKEE CCN(CC)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(O)cc2)cc1 170339035 FIBMBAZRLBUGMD-JOCHJYFZSA-N 448.544 5.083 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(OC)cc(OC)c2)cc1 170390137 PCCFZUAGMVJHFZ-DEOSSOPVSA-N 443.499 5.049 30 10 IKEE CC(C)C(=O)C1=C(O)C(=O)N(c2nc3ccc(C(C)(C)C)cc3s2)[C@@H]1c1ccccn1 170479590 ZUMZSXPLKLCGIP-LJQANCHMSA-N 435.549 5.114 30 10 IKEE COc1cccc2c1c(B1OC(C)(C)C(C)(C)O1)cn2[Si](C(C)C)(C(C)C)C(C)C 206175221 WUJPPFAUBGHSBM-UHFFFAOYSA-N 429.486 5.973 30 10 IKEE Clc1ccc2c(-c3ccccc3)nc(N/N=C/c3cccc(Cl)c3Cl)nc2c1 239475437 AOEVQRFMFMSCIC-UHFFFAOYSA-N 427.722 6.703 30 10 IKEE Cc1ccccc1N=C1S/C(=C\c2ccc(C(C)C)cc2)C(=O)N1c1ccccc1C 252621022 MRDUCHUHMFQMJK-NARSBJQYSA-N 426.585 7.235 30 10 IKEE COc1ccc(N=Cc2nc(-c3ccccc3)oc2OC(=O)c2cccc([N+](=O)[O-])c2)cc1 254572614 IDNDDQLQONLBCQ-UHFFFAOYSA-N 443.415 5.228 30 10 IKEE O=[N+]([O-])c1cccc(N=Cc2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)c1 254711989 VMSSRFACACSPJK-NDEPHWFRSA-N 446.510 6.701 30 10 IKEE SC[C@H]1CN(Cc2ccccc2)C[C@@H]1c1cc(Cl)ccc1I 382735729 WVLXSEBHRMAJSK-PBHICJAKSA-N 443.781 5.090 30 10 IKEE CCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccc(C)cc2C)cc1OCC 526811284 GTXUGERFEMDVCT-MYYYXRDXSA-N 438.597 5.429 30 10 IKEE C=C(C)CN(Cc1ccc(C(=O)O)cc1)S(=O)(=O)c1ccc(CCCCCC)cc1 586182047 YQKKVXIACQTTGO-UHFFFAOYSA-N 429.582 5.275 30 10 IKEE C=CCN(CC=C)C(=O)Nc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 586683376 VDJSUCAUNUGIBM-UHFFFAOYSA-N 436.512 5.407 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1ccc(O)c(Cl)c1 698459202 VQLAEKMVFUZMEW-MRXNPFEDSA-N 437.721 5.814 30 10 IKEE CCn1nc(C)c([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)c1C 698497954 QGMRHTLDRZYKLE-KRWDZBQOSA-N 433.350 5.289 30 10 IKEE CC(C)[C@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 698937576 ANVSFYQIBNOKBF-LPHOPBHVSA-N 435.540 5.256 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@@H](C#N)c1ccc(F)c(Br)c1 698967058 PXRBDERYEHFTCR-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE Cc1cc(Br)ccc1N=C1NC(=O)/C(=C\c2ccc(N3CCCCC3)o2)S1 1083948416 IXCNNUQVVUJABY-SFQUDFHCSA-N 446.370 5.232 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(OCCCC)c(OC)c2)SC1=Nc1nccs1 1772733117 HFYXLNKLRAODKS-ZBLGNAECSA-N 429.567 5.121 30 10 IKEE N#Cc1c(Nc2ccc(-c3csc(-c4ccc(Cl)cc4)n3)cc2)ncc2c1CCC2 1859862448 DYLNCIUGVLLCSI-UHFFFAOYSA-N 428.948 6.629 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C2CCCC2)cc1 1862385553 RYSUHERZGKYJSO-HXUWFJFHSA-N 446.330 5.523 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C(C)C)cc1 1862386746 VJHNVCFDRZXBNI-FQEVSTJZSA-N 448.346 5.769 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2c(Cl)cccc2Cl)cc1 1862393795 DHMJKAOTDBRVNQ-OAQYLSRUSA-N 446.374 6.323 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862395643 VHZLPEJTMPRMAF-XMMPIXPASA-N 435.564 5.377 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(C(F)(F)F)cc1 1862417027 VASCCWZBXUGEFA-SFHVURJKSA-N 439.380 5.218 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)c(OCCC)c2)[C@H]1c1ccccc1 1862425190 RQHDXVGWKRBMMI-HSZRJFAPSA-N 435.520 5.029 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccc(O)cc1)c1ccccc1Cl 1862430285 HNNGMJWINIZLIG-OAQYLSRUSA-N 425.912 5.347 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862450675 NMYIXFIREKSBFX-SFHVURJKSA-N 437.845 5.737 30 10 IKEE COc1cc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)ccc1O 1862491949 FJYNAMFLEZQVPM-WSCWJOSJSA-N 449.547 5.175 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cc(Cl)c(O)c(OC)c1 1862497404 JNWUYCOZLVTLJU-JLTOFOAXSA-N 443.927 5.048 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1cccc(F)c1 1862525271 YKCWGEWQMGUZLA-LJQANCHMSA-N 446.316 5.357 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccc(OC)cc2)cc1 1862536005 OUAYEUSXGAHAKT-XMMPIXPASA-N 445.490 5.175 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccccc1Cl 1862559962 AQHTZWHAODYJAA-IVZQSRNASA-N 432.907 5.262 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCOC(C)C)cc1 1862615046 HFNFEOPQDJIGGJ-DEOSSOPVSA-N 449.591 5.550 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(C(C)C)cc2)=C(O)C(=O)N1[C@@H]1CCCC[C@@H]1C 1862660277 JMENVCPZTOILPW-DNVKUUNQSA-N 431.576 6.275 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(C(C)C)cc2)c1 1862701967 QVOQIMFMERGNCJ-XMMPIXPASA-N 433.548 5.730 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(O)c(O)c1 1862712427 QOQRUJJKMBYMFF-XMMPIXPASA-N 445.515 5.410 30 10 IKEE N#Cc1ccc(N2C(=O)C(Nc3ccc4ccccc4c3)=C(c3ccc(F)cc3)C2=O)cc1 1862768372 KEFRIRQXCKYTRR-UHFFFAOYSA-N 433.442 5.247 30 10 IKEE CSc1cccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccccc3Cl)C2=O)c1 1863081483 VSBAUPWRRRBOQI-UHFFFAOYSA-N 445.931 5.330 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(Cl)cc2)C(=O)N(CCOC(C)C)C1=O 1863528513 JMUDRGHPOIIBDU-UHFFFAOYSA-N 449.035 5.575 30 10 IKEE CCCCCCCCNC1=C(c2ccc(C)cc2)C(=O)N(Cc2cc(C)ccc2C)C1=O 1863621292 KJEZKJZARADBJG-UHFFFAOYSA-N 432.608 5.842 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2cccc(Cl)c2)=C(c2ccc(C)cc2)C1=O 1863621938 ZFQQRGXZOOOANN-UHFFFAOYSA-N 438.999 5.879 30 10 IKEE C[C@@H]1CN(c2cc(Nc3ccccc3C#N)nc(-c3ccc(Cl)cc3)n2)C(C)(C)CO1 1868438040 OUWCAOUDAXEDHL-MRXNPFEDSA-N 433.943 5.416 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](CCSC)NC(=O)C[C@H](c1ccc(C(C)C)cc1)C(C)C 1868704521 JXIZLEYDVICEFY-ZEQRLZLVSA-N 444.685 5.378 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3cc4cc(C)ccc4nc32)nc(-c2ccccc2)n1 1869193552 IBBHWAFDJHDYCU-UHFFFAOYSA-N 433.559 5.873 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N(CCC)CCCC)nn1-c1ccc(C)cc1 1870007030 UHSCHWGZVKQFIH-UHFFFAOYSA-N 427.637 6.281 30 10 IKEE CCCCCCCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCCC1 1870350203 UVMYXWYEGGDQPT-UHFFFAOYSA-N 449.639 6.035 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(OC)c(F)c2)c(=O)cc1CN(CC)CC 1870382295 MJBHJDXJVWNSRX-UHFFFAOYSA-N 446.607 5.777 30 10 IKEE CCCCCCCCn1cc(OCCCCCCC)c(=O)cc1CN(CCC)CCC 1870413157 TZEDLWBPZPQYBS-UHFFFAOYSA-N 434.709 7.180 30 10 IKEE CCCCCCCCCCn1cc(OCC2CCCCC2)c(=O)cc1CN1CC(O)C1 1870485495 YQBSAYWNFGWIPT-UHFFFAOYSA-N 432.649 5.125 30 10 IKEE CCCCCCCCn1cc(OCc2cccc3ccccc23)c(=O)cc1CN(CC)CC 1870487557 HAMQQECNKZNCNK-UHFFFAOYSA-N 448.651 6.783 30 10 IKEE C#CCOc1cn(CCc2ccc(F)cc2)c(CNc2ccc(Cl)c(Cl)c2)cc1=O 1871004614 OYHJBERIULRIHQ-UHFFFAOYSA-N 445.321 5.161 30 10 IKEE C=CCn1cc(OCCCOc2ccc(C)cc2)c(=O)cc1CNc1ccc2cc[nH]c2c1 1871216145 GYYQZYRMZKHKLG-UHFFFAOYSA-N 443.547 5.284 30 10 IKEE CCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1cc(C)cc(C)c1 1871253892 KNEAXGCWAHWNSZ-UHFFFAOYSA-N 429.564 5.718 30 10 IKEE CCCCC[C@H](CC)N1COc2c(cc3c(c2C)O/C(=C\c2cccc(Cl)c2)C3=O)C1 1871353709 YHQVFWOLBZXWJQ-DHJMFLCTSA-N 439.983 6.775 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)/C=C/c4ccc(OC)cc4)c3C)C2=O)cc1 1871376833 GNOIXLCUSZYGTD-WALZVUBYSA-N 442.467 5.247 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OC(=O)c4cccc(OC(C)C)c4)c3C)C2=O)c1 1871387944 DZMKZFLSOFDZPJ-OYKKKHCWSA-N 444.483 5.626 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3cc(OCCCCOc4ccccc4)ccc3C2=O)cc1 1871403068 CVRJAAGKNXFOID-IMRQLAEWSA-N 428.528 6.664 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccccc4)cc(C)c3C2=O)cc1 1871403995 FUZYDQXZETZHDK-BEXDPUPVSA-N 427.500 5.580 30 10 IKEE CCCCCCCCCOc1ccc2oc(=O)cc(-c3cc4cccc(OC)c4o3)c2c1 1871429910 TVBHKKUFNAPVGU-UHFFFAOYSA-N 434.532 7.344 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O 1871433226 KXNOIQYACVCCGG-FYYJVHHASA-N 442.939 6.237 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc3c(c2C)O/C(=C\c2sccc2C)C3=O)c1 1871460404 LDNBXMVTDBHXLT-MTJSOVHGSA-N 433.529 5.615 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 1871763349 ZRWBDYCZIPRDTR-OAQYLSRUSA-N 434.989 5.023 30 10 IKEE N#Cc1ccccc1NC(=O)c1ccc2nc(-c3cccc(OC(=O)c4ccco4)c3)[nH]c2c1 1872735327 OOAFSJSZKIBDBB-UHFFFAOYSA-N 448.438 5.166 30 10 IKEE N#C[C@@H](C(=O)c1ccc(-c2ccccc2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872762082 CQKQXVVUZJQCRI-FQEVSTJZSA-N 449.362 7.274 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(Oc4ccccc4)c3)n2)cc1 1872768230 NDQJEOJJMKAAIL-HSZRJFAPSA-N 440.524 6.491 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(OC)cc3OC)n2)cc1 1872770394 RWAWRQSWUIDQSO-FQEVSTJZSA-N 436.533 5.035 30 10 IKEE CCc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 1872772816 HXBUEFYUPGSOLG-QHCPKHFHSA-N 446.616 6.705 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(C(C)C)cc3)n2)c(OC)c1 1872783805 IEGFHEZKJYIFRK-SQEWALACSA-N 432.545 5.840 30 10 IKEE COc1c(Cl)cc(-c2csc([C@H](C#N)C(=O)c3ccc4cc[nH]c4c3)n2)cc1Cl 1872785385 LOBHUEMMEXOYFV-CQSZACIVSA-N 442.327 6.097 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cccc(OC)c2)=C(c2ccccc2C)C1=O 1873303344 ZYDPWPXDYQZXDA-UHFFFAOYSA-N 448.607 6.336 30 10 IKEE CCCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1/N=C/c1cccnc1 1874194085 XBAYTMUKLFQXQY-MFKUBSTISA-N 444.004 5.339 30 10 IKEE COc1ccccc1CCc1nnc(SCc2ccccc2)n1/N=C/c1cccc(F)c1 1874314506 XJYWWDSLFOALQR-WPWMEQJKSA-N 446.551 5.386 30 10 IKEE COc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2/N=C/c2cccnc2)cc1 1874351153 WQRWQBQWLTYJNA-CVKSISIWSA-N 449.967 5.100 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2/N=C/c2cccc(F)c2)cc1C 1874357378 DCFVLLZYWQTJPU-RWPZCVJISA-N 448.542 5.938 30 10 IKEE O=[N+]([O-])c1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2Cl)cc1 1874367139 NIMWZDMVCLYNIW-ZVHZXABRSA-N 449.923 5.681 30 10 IKEE C=CCSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(OCC)c(OCC)c1 1874368110 VLIPNXFODXYTOM-BUVRLJJBSA-N 442.972 5.556 30 10 IKEE CSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874386319 JKKGFWKDDQHJHR-YZSQISJMSA-N 442.544 5.001 30 10 IKEE Cc1ccccc1CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1ccccc1Cl 1874392925 YNBHCDMZHVSOBU-FQNOVECQSA-N 447.007 6.566 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SC)cc1OCC 1874397727 ILAMGLFKLMWSOL-XIEYBQDHSA-N 438.597 5.245 30 10 IKEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3)nnc2-c2cccs2)cc1 1874420469 NRZQOFGCJMGTQP-BUVRLJJBSA-N 447.589 5.182 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCCc3ccccc3)nnc2-c2cccs2)cc1 1874423055 SCIJQMIJWRSSQA-KOEQRZSOSA-N 432.618 6.347 30 10 IKEE Fc1cccc(CSc2nnc([C@H]3CCCO3)n2/N=C/c2cccc3ccccc23)c1 1874444265 CCZVQNLAEHSTMZ-QVGKIPNLSA-N 432.524 5.596 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(SCc2ccccc2)nnc1[C@@H]1CCCO1 1874445243 CCFJWVKBVXCFPB-LRULAXNGSA-N 444.560 5.466 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2[C@H]2CCCO2)c1 1874449722 KDBHWMFPJVHQHM-VUEBRRCKSA-N 428.561 5.766 30 10 IKEE Oc1cccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2-c2ccco2)c1 1874468379 GACRUNMSCGYREB-FOKLQQMPSA-N 445.331 5.725 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C2CCC2)c1 1874497565 PLFYWMAPHOQHSY-WYMPLXKRSA-N 431.392 6.335 30 10 IKEE CCc1nnc(SCC(=O)Nc2ccccc2C)n1/N=C/c1ccc(C(C)(C)C)cc1 1874524578 VJYOXCORHAZHQA-MFKUBSTISA-N 435.597 5.059 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccc(N(C)C)cc1 1874526077 PKNRCTCUAHJGHB-FSJBWODESA-N 434.396 5.388 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCc2ccc(C)cc2)cc1C 1874574167 YMXDGHXQJSMVPI-PKNBQFBNSA-N 436.935 6.449 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCc2ccc(Cl)cc2)cc1 1874576136 YKVUYENQZDDMCC-KPKJPENVSA-N 443.326 6.486 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(C)cc2)c1OCc1ccc(Cl)cc1 1874579377 KOXDVDJKDSFALH-FMIVXFBMSA-N 427.327 6.786 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1OCc1cccc(Cl)c1 1874594040 OYIVKQWMURVRBX-WEVVVXLNSA-N 447.745 7.131 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OCC(=O)Nc2ccc(C)cc2C)c(Cl)c1 1874610448 STKMEJIZPUMRST-FMIVXFBMSA-N 449.934 5.879 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Cl)c(OCc2cccc(F)c2)c(OC)c1 1874610563 ZIRIFABOYJJLCB-ZHACJKMWSA-N 426.871 5.971 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc([N+](=O)[O-])c1OCc1ccccc1 1874618043 HGQZPATYWXIEAI-OUKQBFOZSA-N 431.488 6.085 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OCc1cccc(Cl)c1 1874631502 GKOYEIRQAXEKCK-PKNBQFBNSA-N 436.935 6.449 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cccc4ccccc34)c2)cc1 1874694332 YBZNULUZWBHKES-GHRIWEEISA-N 436.507 6.526 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1OC(=O)c1cccs1 1874697332 SPLJARHUMUMTTB-ONNFQVAWSA-N 443.318 5.635 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2cccc([N+](=O)[O-])c2)c1)c1ccc(Cl)c(Cl)c1 1874702772 IZGPGNYABNWPDE-JXMROGBWSA-N 442.254 6.017 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OC(=O)Cc2cccc3ccccc23)c1 1874704535 UEGXLXSDJSUKGV-CCEZHUSRSA-N 436.507 6.201 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)Cc1ccccc1F 1875098998 POYPMQXHWGSROX-GXDHUFHOSA-N 444.502 5.757 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)ccc1OC(=O)c1ccc(OC)cc1 1875109518 RJDUGLLPXBPQNI-AWNIVKPZSA-N 446.499 5.526 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(/C=C/C(=O)c3cccc(Cl)c3)cc2Cl)c1 1875121404 NTDDIPVVNSAAQB-CSKARUKUSA-N 439.338 6.654 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)CC1CCCCC1 1875123136 CCFAJYSBIRLMCF-VAWYXSNFSA-N 442.939 6.129 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(C)c3)cc2[N+](=O)[O-])c1 1875141676 PGJKNSYRXIHSJT-UXBLZVDNSA-N 447.462 5.703 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3F)c(Cl)c2)cc1F 1875153265 YKMCFGOTOAYCRA-RMKNXTFCSA-N 428.818 5.742 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)c1ccccc1OC 1875171961 VZRSRFNXEXCPLX-ZRDIBKRKSA-N 446.499 5.445 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)CC(C)(C)C)c([N+](=O)[O-])c1 1875184272 QSSHZFUSQNBAGN-FMIVXFBMSA-N 437.536 6.438 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2ccc(F)cc2)cc1 1875184342 AINLHXOGFPLAJB-MHWRWJLKSA-N 430.519 6.476 30 10 IKEE C=CCn1c(C(=O)N(CCCC)CCCCCC)cc2c(NCCCCCC)ncnc21 1875231108 AAUPISZLYRFLCP-UHFFFAOYSA-N 441.664 6.432 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC[C@@H](CCNC(=O)OC(C)(C)C)C(C)C)NCCC 1922076081 BUFMCYQHTARLJT-DQEYMECFSA-N 446.676 6.095 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)c1 1944061660 JKOJRUPOXUKOQE-HXUWFJFHSA-N 429.561 6.168 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@]2(CC[C@]2(C#N)N(C(=O)OC(C)(C)C)C2CCCC2)C1 2013353826 FVQDKGLAASMWGU-DNQXCXABSA-N 433.593 5.240 30 10 IKEE C#CC[C@H](C[C@@H](CCCN(Cc1ccccc1)C(=O)OC(C)(C)C)NCCC)C1CC1 2020092539 KBDKTEGOLFLAEM-JWQCQUIFSA-N 426.645 6.012 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2031501259 ZOAYWRORZDYYCQ-NTKDMRAZSA-N 447.551 5.687 30 10 IKEE N#CCCn1cc(C=CC(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)c2ccccc21 2040482346 NWRWOYNTZGUVHM-HSZRJFAPSA-N 440.572 5.932 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)c(Cl)c1 2041579834 WNUPUGPEFWRUJI-SJORKVTESA-N 431.802 5.613 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2042135445 BKBWGFWETUVDCL-XMZFGDCGSA-N 449.636 5.732 30 10 IKEE CCC(=Nc1sc(-c2ccccc2)nc1-c1ccc(C)cc1)N1CCC(C(N)=O)CC1 2070812836 DCYLQUGYCBKIIV-UHFFFAOYSA-N 432.593 5.423 30 10 IKEE Cc1ccc([C@H](n2nc(C3(C)CC3)c(/C=N/O)c2I)C2(C)CC2)cc1 2079023798 UVHYONLUYBRORS-QQZPLFJDSA-N 449.336 5.045 30 10 IKEE Cc1ccc([C@@H](C2CCC2)n2nc(C(C)(C)C)c(C#N)c2I)c(O)c1 2079032153 YESXIXJLFHOYCX-QGZVFWFLSA-N 449.336 5.060 30 10 IKEE Cc1ccc([C@@H](C2CCC2)n2nc(C(C)(C)C)c(C#N)c2I)cc1 2079032679 HYOWZJGMNCCWEA-QGZVFWFLSA-N 433.337 5.355 30 10 IKEE CCOc1ccc([C@@H](n2nc(C3CCC3)c(C=NO)c2Br)C2(C)CC2)cc1 2080106233 VWUUEJNSQPYKGN-LJQANCHMSA-N 432.362 5.509 30 10 IKEE N#Cc1ccc(NCc2cccc(Br)c2Br)cc1Br 2092332857 KIPWIORFBFFQBV-UHFFFAOYSA-N 444.952 5.458 30 10 IKEE C=CCC[C@@H](C)[C@H](NCCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2102111042 KDLGOPQKDXJMJN-BEFAXECRSA-N 425.411 6.439 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Cl)cc1[C@@H](O)C#Cc1ccccc1Br 2232116720 LRPGMFFRYYGXHA-SFHVURJKSA-N 436.733 5.535 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)C[C@H](NC(=O)OC(C)(C)C)C(C)C 2235748336 YHQQUKYTXATTEG-QUCCMNQESA-N 437.422 5.108 30 10 IKEE CC[C@H](C)N(Cc1ccccc1)C(=O)c1cc(Cl)cc(B2OC(C)(C)C(C)(C)O2)c1 2247782051 QIKCZICOBYQQEL-KRWDZBQOSA-N 427.781 5.080 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCC[C@@]2(C)CNC(=O)OC(C)(C)C)c1 2258855882 LVRSXJYDJBJPNE-LOSJGSFVSA-N 443.588 5.714 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1sc(Br)c(C)c1C 2265926950 HDDVGUDWPWFMJU-HZPDHXFCSA-N 443.451 5.475 30 10 IKEE C[C@H](N(Cc1ccccc1)C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F)C(C)(C)C 2266975581 HXABXGXZGDQINE-SFHVURJKSA-N 439.380 5.202 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)C[C@H](NC(=O)OC(C)(C)C)C(C)C 2296309671 YYIJFEZQHKHPHZ-PMACEKPBSA-N 437.422 5.108 30 10 IKEE C=CCN1C(=O)C(=Cc2ccccc2OCc2ccc(Cl)cc2Cl)SC1=S 2297303033 KJZCEIBBKCYJNY-UHFFFAOYSA-N 436.385 5.960 30 10 IKEE COc1cc(OC)c(OC)cc1C=C1Oc2cc(OCc3ccc(C)cc3)cc(C)c2C1=O 2321745700 KQENZILFXGAIAW-UHFFFAOYSA-N 446.499 5.524 30 10 IKEE O=C1C(=Cc2c(Cl)cccc2Cl)Oc2c1ccc1c2CN(Cc2cccs2)CO1 2321965106 DBTBZEFJXFKOOA-UHFFFAOYSA-N 444.339 6.023 30 10 IKEE COc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(C2CCCCC2)C4)c(OC)c1 2322016374 NHNLFCDIQZAZOL-UHFFFAOYSA-N 435.520 5.113 30 10 IKEE O=C(C=Cc1ccccc1OCc1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 2322307761 DJRISZKUFMRZTK-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccccc1F)C3=O)CN(CCCc1ccccc1)CO2 2322427348 OKYBYOHMFBLYII-UHFFFAOYSA-N 429.491 5.535 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2cc(C)ccc2C)c1OCC(=O)OCC(C)C 2322617121 BAVSDWQORKFENE-UHFFFAOYSA-N 430.928 5.440 30 10 IKEE CCN(CC)C(=O)COc1ccc2ccccc2c1C=CC(=O)c1cc(C)ccc1OC 2322642137 YGLWBDOAASLOIG-UHFFFAOYSA-N 431.532 5.300 30 10 IKEE Cc1ccc(C=CC(=O)N2CCC(C(=O)Nc3scc(C(C)(C)C)c3C#N)CC2)cc1 2323045826 WTOJBDSSBPJDOC-UHFFFAOYSA-N 435.593 5.116 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1OCc1ccc([N+](=O)[O-])cc1 2323188641 LYGAZNBKDFIHKC-UHFFFAOYSA-N 445.515 6.376 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O)c1ccc(Cl)c(Cl)c1 2323259052 ZAUXJCAMVFPJOA-UHFFFAOYSA-N 429.230 5.968 30 10 IKEE COc1ccccc1C=C1Oc2cc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc(C)c2C1=O 2323330375 NNRQAPNLSOYGDF-UHFFFAOYSA-N 445.427 5.056 30 10 IKEE CCCOc1ccccc1C=CC(=O)Oc1ccc2c(c1C)OC(=Cc1ccco1)C2=O 2323342002 MXAFCPMLGFADMB-UHFFFAOYSA-N 430.456 5.612 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OCc3ccccc3C)c(OC)c2)cc1C 2323561143 FJLHJYYJYPOAJQ-UHFFFAOYSA-N 432.516 5.804 30 10 IKEE CC(C)N(Cc1ccccc1)Cc1c(O)ccc2c1OC(=Cc1ccc(Cl)cc1)C2=O 2324011965 OHLPACAFYGZZLP-UHFFFAOYSA-N 433.935 6.072 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)cc(OC)c1OCc1cccc(F)c1 2324129855 XQNQYBATWVSZBY-UHFFFAOYSA-N 442.486 6.471 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OCC(=O)Nc1ccccc1 2324197220 UGZOYVDSGNMPKB-UHFFFAOYSA-N 445.490 5.476 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OCc1ccc(C(=O)OC)o1 2324257559 PZXHVPNASRQGSE-UHFFFAOYSA-N 442.414 5.218 30 10 IKEE CCc1cccc(CC)c1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1ccco1)C2=O 2324381147 SJHJBNJYOFDSLK-INIZCTEOSA-N 431.488 5.427 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3cccc([N+](=O)[O-])c3)n2)cc1Cl 2324807407 XJNDVSJTENTTAI-MRXNPFEDSA-N 439.880 5.270 30 10 IKEE CCOc1ccc(C=CC(=O)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1 2325532307 LEBYDXSWWVHAHK-UHFFFAOYSA-N 435.907 5.539 30 10 IKEE COc1ccc(OC)c(C=CC(=O)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1 2325610911 JLRHRKCZDQEVTP-UHFFFAOYSA-N 437.879 5.371 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2cccc(F)c2)C3=O)cc1C 2325738767 TYARCLSVUXRTQU-UHFFFAOYSA-N 431.463 5.385 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1cccc(C=CC(=O)c2ccc(F)c(F)c2)c1 2325753475 KCLLHEKXRHUPOI-UHFFFAOYSA-N 438.426 5.244 30 10 IKEE CCc1ccc(C=Nn2c(COc3ccc(OC)cc3C(C)(C)C)nnc2SC)cc1 2325815000 HDCTZIAGWYVCMY-UHFFFAOYSA-N 438.597 5.330 30 10 IKEE CC(C)Oc1ccc(C=Nn2cnnc2SCc2c(F)cccc2Cl)cc1Cl 2326567492 BAYVAWRZFYXILN-UHFFFAOYSA-N 439.343 5.686 30 10 IKEE CCSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1c(F)cccc1Cl 2327176571 MDOYPHMAMFUFQI-UHFFFAOYSA-N 432.952 5.385 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc[nH]1 2327929332 OXSWOXHPHZPMPK-UHFFFAOYSA-N 435.984 5.528 30 10 IKEE CCSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1ccc(N(CC)CC)cc1 2328785153 KLVPZJLRQVQAKQ-UHFFFAOYSA-N 437.613 5.314 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2sccc2C)cc1C 2329395593 OMVGOTHSRFHVAS-UHFFFAOYSA-N 446.645 6.339 30 10 IKEE CCc1ccc(C=Nn2c(SCc3ccccc3F)nnc2[C@H](C)c2ccccc2)cc1 2330109220 QMZBNPVJEVVFMY-LJQANCHMSA-N 444.579 6.306 30 10 IKEE COc1ccccc1C=Nn1c(CCc2ccccc2)nnc1SCc1ccccc1C 2330162795 LAZFNQJQVDBXGL-UHFFFAOYSA-N 442.588 5.555 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(OC)c([N+](=O)[O-])c3)cc2)cc1 2330742227 ISHCIRINSJLOLO-UHFFFAOYSA-N 431.444 5.281 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3c(OC)cccc3OC)c(OC)c2)cc1 2330769923 CHONUCJASMIYLF-UHFFFAOYSA-N 446.499 5.390 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)cc(Br)c1OC(=O)C1CC1 2330796637 SNJSRXZVKKHSSW-UHFFFAOYSA-N 445.309 5.068 30 10 IKEE Cc1cc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3F)cc2)ccc1Cl 2331084648 XVKZIDZHSMXGPL-UHFFFAOYSA-N 442.845 5.807 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OC(=O)c1ccccc1F 2331101107 GAAFLIZHJLAUSK-UHFFFAOYSA-N 426.390 5.618 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1)c1cccc(Cl)c1 2331124019 CKNVRCDLUZQSJW-UHFFFAOYSA-N 425.799 5.503 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Br)c1OC(=O)c1ccco1 2331175722 IIDWBGWMZGBXKG-UHFFFAOYSA-N 427.250 5.166 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)Cc1ccccc1 2331214641 BZPPZXHSNUJSQG-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(Br)c1OC(=O)CC(C)(C)C 2331281268 BTHJYUOTBKTALI-UHFFFAOYSA-N 445.353 6.004 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccccc2C)n1N=Cc1ccc(C(C)C)cc1 2331328793 LRMYMDVPVFBTDW-UHFFFAOYSA-N 449.624 5.666 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3ccc(C=CC(=O)c4ccc(C(C)C)cc4)cc3)c(C)c2c1 2331491408 DJFCSYJHHVDBSM-UHFFFAOYSA-N 437.539 7.023 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2Cl)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 2331562216 SXAFDLCLMFAJJR-UHFFFAOYSA-N 443.789 5.642 30 10 IKEE CCCCC(=O)Oc1c(OC)cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1OC 2331661555 FMVJOYUMJFNRNC-UHFFFAOYSA-N 426.509 5.321 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)cc2OC)cc(OC)c1OC(=O)CC(C)C 2331728701 CMYUUNSBGYYPGB-UHFFFAOYSA-N 438.520 5.289 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc(OC)c1OC(=O)C(C)C 2331754663 IDCLYGNPSSPYJV-UHFFFAOYSA-N 432.900 5.132 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cc(OC)c(OC(=O)CC(C)(C)C)c(OC)c1 2331876219 LVBSQNMERBGKMJ-UHFFFAOYSA-N 446.927 5.604 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@H](O)C#Cc2ccccc2Br)c(Cl)c1 2335920462 ICOVXOPEZYXUPV-GOSISDBHSA-N 436.733 5.535 30 10 IKEE Cc1cc(C#N)ccc1CSc1cc(I)ccc1Br 2338412975 GDIUYCAYNKUJSD-UHFFFAOYSA-N 444.135 5.526 30 10 IKEE CC(C)(C)OC(=O)NC(C)(C)C(C)(C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339579151 RLYPMCHZZGGODY-UHFFFAOYSA-N 446.397 5.187 30 10 IKEE CC#CCN(C[C@H](NCCC)c1cc(Cl)cc(Cl)c1Cl)C(=O)OC(C)(C)C 2363133431 RBACCIJELSUNES-KRWDZBQOSA-N 433.807 5.948 30 10 IKEE O=C(Cc1cc(-c2ccc(F)cc2)on1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 12864736 WIXLGHPUQZHCIA-UHFFFAOYSA-N 432.295 5.700 30 10 IKEE CC(C)(C)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)cc1 21220902 MOTWRDYFKMUVBU-NGOKVRLYSA-N 440.562 7.103 30 10 IKEE O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@@H](c1c(F)cccc1Cl)Nc1ccccc1N2 21258421 HDCLNFPEROVSAP-ODCWNRFASA-N 436.889 6.598 30 10 IKEE O=C(SCc1ccccc1)c1ccccc1NC(=O)C(F)(F)C(F)(F)C(F)(F)F 31425124 QQIQOXWHMJDAHF-UHFFFAOYSA-N 439.352 5.532 30 10 IKEE C=CCOc1ccccc1[C@H]1CC(=O)Nc2c1c(C)nn2-c1nc2ccc(C)cc2s1 33271470 RDSDHBQRIHOBTQ-QGZVFWFLSA-N 430.533 5.138 30 10 IKEE COc1cc(/C=C2/Sc3ccccc3C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1C#N 33305046 MGBIFJBBQLLBCJ-SSDVNMTOSA-N 430.441 5.597 30 10 IKEE COc1cc([C@@H]2c3sc(O)nc3SC[C@H]2C=O)ccc1OCc1ccccc1Cl 35531274 UOSQZMZRVCQEBD-KDOFPFPSSA-N 447.965 5.142 30 10 IKEE C=CCOc1cccc2c1cc(C(=O)NCc1cccnc1)n2Cc1cccc(Cl)c1 35908450 JOSBKQWMJLDUGJ-UHFFFAOYSA-N 431.923 5.233 30 10 IKEE CCN(CC)Cc1c(C)c2c(c(CN(CC)CC)c1O)O/C(=C/c1ccccc1F)C2=O 37858163 LEKPJYJBXWIFAG-HYARGMPZSA-N 440.559 5.140 30 10 IKEE C=CCn1c(SCc2ccc(C(=O)Nc3ccccc3OC)cc2)nnc1-c1ccco1 39850677 MCEGVABMSKNTQD-UHFFFAOYSA-N 446.532 5.277 30 10 IKEE C=C(C)C(=O)NCCCCCc1nc2ccccc2n1CCCCOc1cccc(C)c1 40219839 XCUPVLYKKWEAPH-UHFFFAOYSA-N 433.596 5.609 30 10 IKEE C=CCc1ccc(OCCCn2c(CCc3ccccc3)nc3ccccc32)c(OC)c1 40238253 XZFNXGQYJBZVCY-UHFFFAOYSA-N 426.560 6.028 30 10 IKEE N#Cc1nc(-c2ccccc2[N+](=O)[O-])oc1NC[C@@H](c1ccccc1Cl)N1CCCC1 40373997 BCNPAJLXALETHL-FQEVSTJZSA-N 437.887 5.024 30 10 IKEE O=C(CSc1nc2ccc(/N=C/c3ccccc3O)cc2s1)Nc1ccc(F)cc1 59502565 PJWPGYHEQYVAQM-WYMPLXKRSA-N 437.521 5.622 30 10 IKEE CCCCCCCCCCCCCCCCCCCCCC(=O)CCc1ccccc1 100308202 IKEONMOQUQYZFR-UHFFFAOYSA-N 428.745 10.010 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(Nc2ccc(F)cc2)c1N 101531655 XWIRIRYSPAJREZ-UHFFFAOYSA-N 443.655 7.835 30 10 IKEE CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N/c1cccc(C(F)(F)F)c1 102149989 MEQKKQNRCGBEPY-DCPSBQCMSA-N 435.496 5.699 30 10 IKEE O=C1C(=O)N(Cc2cccnc2)[C@H](c2cccc(Cl)c2)/C1=C(/O)c1cc2ccccc2o1 102758075 OQOWORRFRKYSAD-RKKARLDVSA-N 444.874 5.103 30 10 IKEE CCCCCCCCCC[C@H](NCC)c1cc(Br)c(Br)s1 162356459 UIECEYLVWILVKN-HNNXBMFYSA-N 439.301 7.455 30 10 IKEE CCCOc1c(OC)cccc1[C@@H]1NC(=S)N(CCC)C(C)=C1C(=O)c1ccccc1 169928749 WTDUDMJVPPOYDT-QFIPXVFZSA-N 438.593 5.282 30 10 IKEE CCCCCCCCCOc1ccc([C@@H]2NC(=S)NC3=C2C(=O)CCC3)cc1OCC 169939092 QPLHYQPYAIOXAH-DEOSSOPVSA-N 444.641 5.741 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2cccs2)cc1 169987863 JNZCZLVIUALYBJ-HXUWFJFHSA-N 441.455 5.208 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2cccc3ccccc23)[C@H]1c1ccccn1 169996181 MCXDEPHFSVSATB-SANMLTNESA-N 434.495 5.337 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccncc2)cc1 170019966 LGDDEJPOLVSZNH-QHCPKHFHSA-N 440.455 5.009 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(C)o1 170100312 WBUNUBRXHLVCIW-NRFANRHFSA-N 437.879 5.029 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccs2)c1 170161004 VGROSNVFDGNAOL-QFIPXVFZSA-N 444.512 5.191 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2cccnc2)cc1Cl 170187031 MRIYSVVGFYMXKU-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@H]1c1ccccc1 170225349 YBCQIJMBUOBAID-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@H]1c1ccc(C)o1 170309804 KECDIEWTIJBNMJ-HSZRJFAPSA-N 439.552 5.879 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(Cl)cc(Cl)c2)[C@H]1c1cccc(O)c1)c1ccccc1 170386238 NEZGESZHNAMODC-FQEVSTJZSA-N 440.282 5.482 30 10 IKEE O=c1oc2ccccc2cc1-c1csc(NN=Cc2cccc(Br)c2)n1 252625652 QOKNTABTFKBFPR-UHFFFAOYSA-N 426.295 5.125 30 10 IKEE CN=c1scc(-c2ccc(C3CCCCC3)cc2)n1N=Cc1ccc(C(=O)OC)cc1 254557336 RVCZBTZARUJJMM-UHFFFAOYSA-N 433.577 5.464 30 10 IKEE Cc1cccc(C)c1NC(=O)CSc1nc2ccc(N=Cc3ccccc3O)cc2s1 254835500 MGWXXKQXYKCYIH-UHFFFAOYSA-N 447.585 6.100 30 10 IKEE N#Cc1c(Cl)cccc1Nc1ccc(Br)c(I)c1 380821450 XTMKBCZCQORECR-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)cc1Cl)NCCC 406151693 BWSOPSVWZZZIHM-QZTJIDSGSA-N 445.829 5.483 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccncc2)cc1Cl 526489612 AHIBPSHDLKZYRP-JOCHJYFZSA-N 431.879 5.063 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccnc2)cc1Cl 526522252 PZMXEESVXIKIEQ-JOCHJYFZSA-N 431.879 5.063 30 10 IKEE COc1ccc(OC)c(/C=N\n2c(C)nnc2SCc2ccc(Cl)c(Cl)c2)c1 526815378 ZWVDDVCBCQVGNM-YVNNLAQVSA-N 437.352 5.085 30 10 IKEE CCCCOc1ccc(/C=N\n2cnnc2SCc2cccc(F)c2)cc1OCC 526824539 HOYSXZIPNUPCCL-QFEZKATASA-N 428.533 5.169 30 10 IKEE CCc1ccccc1N(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586249875 UQLNURTVGVELIJ-UHFFFAOYSA-N 432.589 5.814 30 10 IKEE C=C1C[C@H](OC(=O)c2ccccc2)[C@@H]2[C@](C)(CO)CCC[C@]2(C)[C@H]1CC/C(C)=C/CO 606520103 WGSYIFPPMZUQAN-JKQOSXOQSA-N 426.597 5.312 30 10 IKEE biogenic CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)COc2ccccc2C1 698447358 TZOFQKOKTVJLIN-NRFANRHFSA-N 429.314 5.088 30 10 IKEE C[C@@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)CN1C(=O)OC(C)(C)C 698826288 JBMHDHUHQZVCJZ-MWTRTKDXSA-N 449.979 5.763 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@@H](C#N)c1ccsc1Br 706977996 DFZZUSAFJGVRFM-AWEZNQCLSA-N 427.751 6.170 30 10 IKEE CCN1C(=O)C[C@H](C(=O)Nc2cccc(Cl)c2)SC1=Nc1ccc(C)c(Cl)c1 1084463656 OZHYRSWVYVFQGD-QGZVFWFLSA-N 436.364 5.282 30 10 IKEE C[C@H]1CN(CN2C(=O)C(=Nc3ccc4c(c3)oc3ccccc34)c3ccccc32)C[C@H](C)O1 1084566540 ASMAXZXPVOCRLW-ROUUACIJSA-N 439.515 5.120 30 10 IKEE CC1(C)[C@@H](C(=O)NC(C#N)(Cc2ccccc2)Cc2ccccc2)[C@@H]1C=C(Cl)Cl 1616048031 RQKZHRZGQKCIGO-PZJWPPBQSA-N 427.375 5.442 30 10 IKEE O=C1NC(=NN=Cc2ccco2)S/C1=C\c1ccc(-c2cccc(Cl)c2Cl)o1 1772723855 ASFJUIYHAKWZQP-HHMOHRHOSA-N 432.288 5.440 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccccc2OCc2ccc(C)cc2)SC1=Nc1nccs1 1772733939 LWXLFSFIVXAOIY-LLLXPECQSA-N 447.585 5.821 30 10 IKEE C=CCOc1ccc(/C=C2/SC(=Nc3cccc(C)n3)N(C3CCCCC3)C2=O)cc1 1772739671 XXSACHBHWLEJAL-VJGHDNFWSA-N 433.577 5.892 30 10 IKEE Cc1ccccc1-c1nc2sc3c(c2c(=O)n1Cc1cccc(C#N)c1)CC[C@H](C)C3 1857803160 DABNKHWNQKVPBH-INIZCTEOSA-N 425.557 5.478 30 10 IKEE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)Nc1oc2c(c1C#N)CCCC2 1859763618 RDELSYQHIAAZOE-UHFFFAOYSA-N 426.303 5.960 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](C)NC(=O)Cc1cc(Cl)ccc1SCC 1861003338 GOUQDIRTRDQZHU-GOSISDBHSA-N 441.081 5.756 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)c1cc(Cl)ccc1OC 1861540203 ZAORQKOCJFKSRB-FQEVSTJZSA-N 425.013 5.504 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(O)cc1 1862381728 GPHBXSUXLASHOM-FQEVSTJZSA-N 448.346 5.858 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc(O)c1 1862430262 GXGAXUYYECORRC-VGOFRKELSA-N 441.955 5.983 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@@H]1c1ccccc1F)c1ccccc1Cl 1862430459 KPCQHUONZIWIHW-OAQYLSRUSA-N 439.845 5.397 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccccc1Br 1862440408 XJSWVIDJDCJDLS-KRWDZBQOSA-N 434.717 5.091 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(CC)cc1 1862458452 NPEPBEXEFCFECD-JOCHJYFZSA-N 445.481 5.825 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccccc1Cl 1862470193 HSBBDUBFBISHGN-SFHVURJKSA-N 448.744 5.337 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc(Cl)c2)cc1 1862476151 CYSDRIPZGLCSJN-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 1862480309 CVQVDFUQICKDQS-QHCPKHFHSA-N 445.584 6.133 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CC(C)C)cc1 1862499070 XMRLEEHEYWFSKH-DEOSSOPVSA-N 434.580 5.384 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2cccc(F)c2)ccc1F 1862502164 SMDQBXZHKNXXTA-HSZRJFAPSA-N 439.502 5.964 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccccc1Cl 1862594905 JAEBLYCHXRXBHX-QFIPXVFZSA-N 441.955 5.984 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(O)cc1 1862698573 KECHOETUGRKJDB-QHCPKHFHSA-N 437.536 5.340 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccc(F)cc2F)c1 1862700892 QYXFIIANEFKHHO-CMJOXMDJSA-N 449.453 5.313 30 10 IKEE CCCOc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(C)cc3)C2=O)cc1 1862891832 YHYQMUJMVLMVBZ-UHFFFAOYSA-N 437.499 5.052 30 10 IKEE Cc1cc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccccc3Cl)C2=O)ccc1F 1863096691 AMLKZBDRJSFPTL-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2C(C)(C)C)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863289409 ZCKXXKRKEWNZKK-UHFFFAOYSA-N 429.347 5.669 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2cccc(C)c2)=C(c2ccc(OC)cc2)C1=O 1863671060 FZRHVQOYFURYOW-UHFFFAOYSA-N 434.580 5.234 30 10 IKEE N#Cc1cnn(-c2ccccc2F)c1NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl 1865963171 JXNMABPSGZFDJK-UHFFFAOYSA-N 445.068 5.144 30 10 IKEE CCCc1nc(Nc2cccc(C#N)c2)cc(N2CCC(=O)c3cc(C(C)(C)C)ccc32)n1 1868378648 QNVKDTLENTWNQL-UHFFFAOYSA-N 439.563 6.066 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](CCC)NC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)C(C)C 1868866427 WJMYIGGCZSSKRH-VQTJNVASSA-N 425.400 5.219 30 10 IKEE CCCCCCCOc1cn(Cc2cccc(C)c2)c(CN(CC)CCCC)cc1=O 1870413318 ZXMNUFYEBNOKMB-UHFFFAOYSA-N 426.645 6.176 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2C)c(CNc2ccc(CC)cc2)cc1=O 1870836415 NICYGEFNCDZCHR-UHFFFAOYSA-N 446.635 6.729 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)cc2Cl)c(=O)cc1CNc1cc(C)cc(C)c1 1871249145 NJLOBRAQJYKURI-UHFFFAOYSA-N 443.374 6.149 30 10 IKEE CC[C@H](C)N1COc2c(cc3c(c2C)O/C(=C\c2ccccc2Br)C3=O)C1 1871353531 RSQXZBWTTZSGPB-GJUHEBOISA-N 428.326 5.324 30 10 IKEE COc1ccc([C@@H](C)N2COc3cc(C)c4c(c3C2)O/C(=C\c2ccco2)C4=O)cc1OC 1871354022 FCZMYIKKJJPACV-HNEZCVDCSA-N 447.487 5.135 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc2c(c1C)O/C(=C\c1cccnc1)C2=O 1871371437 PSDAUDRIBQLEFI-HAHDFKILSA-N 429.472 5.079 30 10 IKEE Cc1c(OC(=O)Cc2cccc3ccccc23)ccc2c1O/C(=C\c1cccs1)C2=O 1871376366 HRCRPBDLIDAABU-HAHDFKILSA-N 426.493 5.974 30 10 IKEE CCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccs2)C3=O)cc1 1871379680 JSWNCUUPPKZWJI-AMZDHWMSSA-N 432.497 5.690 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871388157 XRGDIDYBMRDVQS-HAHDFKILSA-N 448.902 6.273 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2C)C3=O)cc1 1871389641 HISKRWQYTQYVGE-JLPGSUDCSA-N 426.468 5.704 30 10 IKEE COC(=O)c1cccc(COc2ccc3c(c2C)O/C(=C\C=C\c2ccccc2)C3=O)c1 1871415919 AWWFPHYGIFOQJT-OBJYXWAWSA-N 426.468 5.533 30 10 IKEE CCCCCCOC(=O)COc1ccc2c(c1C)O/C(=C\c1ccccc1Cl)C2=O 1871421638 JCSYQVXLCNQFQB-STZFKDTASA-N 428.912 5.767 30 10 IKEE C=CCN(CC=C)c1nc(Nc2ccc(OCC(C)C)cc2)nc(N(CC=C)CC=C)n1 1871734105 NGUUEADHYIRJPO-UHFFFAOYSA-N 434.588 5.007 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 1872232960 KAHJYNAPPJLNRD-JOCHJYFZSA-N 449.016 5.413 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1CC)c1ccccc1)S(=O)(=O)c1ccccc1 1872479774 UAUIUKXEONJTPU-RUZDIDTESA-N 448.588 5.196 30 10 IKEE COc1ccc(Cl)cc1C(=O)[C@H](C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872759235 HYGKCOIVMRHCEI-NRFANRHFSA-N 444.943 6.629 30 10 IKEE CCCOc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 1872769134 KOSHGZXUUSRFMA-KRWDZBQOSA-N 445.371 6.325 30 10 IKEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccc(Cl)cc3Cl)n2)cc1 1872770064 IPEXRSZRQIIDNV-KRWDZBQOSA-N 445.371 6.461 30 10 IKEE COc1ccc(OC)c(-c2csc([C@H](C#N)C(=O)Cc3cccc4ccccc34)n2)c1 1872771626 YCTDJWGVCCJGAV-OAQYLSRUSA-N 428.513 5.399 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@H](C#N)C(=O)c3ccccc3Br)n2)c1C 1872778594 OVKWJZAKZIPEOD-QGZVFWFLSA-N 439.378 6.296 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)[C@H](C#N)c1nc(-c2ccc(C)c(C)c2)cs1 1872783400 YXQNMGCVOMWFCN-AWEZNQCLSA-N 431.344 6.232 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(OC(C)C)cc3)n2)c(OC)c1 1872783735 GQZBKWMFFUIVHK-HXUWFJFHSA-N 436.533 5.033 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1 1872785597 QWASSDKVSHMPCE-XFKHSMSJSA-N 444.600 6.704 30 10 IKEE Cc1nc(SCc2cccc(C(=O)NCCCc3ccccc3)c2)c(C#N)c(C)c1C 1872893354 UETXFCWAGOCPMA-UHFFFAOYSA-N 429.589 5.533 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H]2CCCC[C@H]2C)=C(c2cccc(OC)c2)C1=O 1873048775 URVUFBGVPIIBJC-KNQAVFIVSA-N 426.601 5.304 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(C)cc2C)=C(c2ccccc2)C1=O 1873413013 HRUGXSHEASLLJG-UHFFFAOYSA-N 432.608 6.636 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3cccc(Br)c3)c(=O)oc2c1 1873965725 GTCPIINIXZKCIJ-UHFFFAOYSA-N 442.309 5.000 30 10 IKEE CCCOc1ccccc1/C=N/n1c(CCCOc2ccccc2Cl)nnc1SC 1874214805 GZNLNJNSZKHTHW-LFVJCYFKSA-N 444.988 5.336 30 10 IKEE C=CCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc(OC)c(O)c1 1874232562 OMSCFRNEXAGTMI-YZSQISJMSA-N 444.560 5.091 30 10 IKEE CCOc1ccccc1OCc1nnc(SCc2cccc(C)c2)n1/N=C/c1ccc[nH]1 1874240393 FMRZZWMEDGFOHT-CVKSISIWSA-N 447.564 5.067 30 10 IKEE C=CCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1cccc(OCC)c1 1874279820 SOXCYEXMCLGZFO-LFVJCYFKSA-N 426.973 5.276 30 10 IKEE CCCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874284551 MTUZHYNVLCVVAI-YZSQISJMSA-N 441.044 6.399 30 10 IKEE COc1ccccc1OCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1ccccc1 1874289346 ZYXZNSMXELQRTN-WGOQTCKBSA-N 444.560 5.349 30 10 IKEE C=CCSc1nnc(COc2cccc(C)c2C)n1/N=C/c1ccc(Cl)c(Cl)c1 1874324421 DQEFIDJDXCDKAO-WYMPLXKRSA-N 447.391 5.941 30 10 IKEE CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874365326 WVMMXSBERNBZMW-MFKUBSTISA-N 434.952 5.782 30 10 IKEE Fc1ccccc1CSc1nnc(CC2CCCCC2)n1/N=C/c1ccc(Cl)cc1 1874408345 RIQISUVWZUGLFL-CVKSISIWSA-N 442.991 6.368 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2)n1/N=C/c1ccc(OCCCC)c(OC)c1 1874427922 ILMADPSNUATLCA-PCLIKHOPSA-N 436.581 5.683 30 10 IKEE CCOc1cc(/C=N/n2c(SCc3cccc(C)c3)nnc2C2CCCC2)ccc1O 1874454407 KDBVFVMLWBXVEL-MFKUBSTISA-N 436.581 5.523 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2C2CCC2)cc1 1874493449 MYOWLYDFWDNISS-YZSQISJMSA-N 434.609 6.207 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CCC2)c1 1874497522 NPUHDRSPPWADHE-WYMPLXKRSA-N 431.392 6.335 30 10 IKEE CCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1c(OC)ccc2ccccc12 1874526665 ZTIFAJIUJKMBHC-CVKSISIWSA-N 430.577 5.794 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C)cc2)c1OCc1c(Cl)cccc1Cl 1874580106 YAEMVVYPTXSHEW-BUHFOSPRSA-N 427.327 6.786 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccccc2OCc2c(Cl)cccc2Cl)cc1 1874583348 JTRZTUPBTSHVCU-CCEZHUSRSA-N 425.355 7.592 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)c1OCc1ccccc1 1874586294 GHODQRFGQQVBCY-LVZFUZTISA-N 436.507 6.963 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccccc1OCc1cccc2ccccc12 1874591990 MOUXYIWCFLDTBL-FYWRMAATSA-N 428.915 6.977 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)c(Br)c1OCCCO 1874592783 BVEBWYRQGLGAJU-PKNBQFBNSA-N 441.321 5.268 30 10 IKEE CCOC(=O)c1ccc(COc2cc(/C=C/C(=O)c3c(C)cc(C)cc3C)ccc2OC)o1 1874600727 ZXYQOCBCLFLCJM-JXMROGBWSA-N 448.515 5.865 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 1874601949 LMQBSQYMOKEBAE-CSKARUKUSA-N 428.271 6.377 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1cccc2ccccc12 1874602447 MPZWQKLGRPYFQW-WYMLVPIESA-N 439.467 6.232 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 1874622248 UCGOEWIZCUYTBV-VXLYETTFSA-N 441.571 6.460 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OCC(=O)Nc1cc(C)cc(C)c1 1874625747 UNFBYGYEASYMSK-VZUCSPMQSA-N 447.506 5.755 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccc(OCc2cccc(F)c2)cc1 1874628696 QVKZULDYUMJMNF-JXMROGBWSA-N 431.290 6.616 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc(C)cc3C)ccc2OC)c1 1874702486 SXAKSGPSYZRPNO-JLHYYAGUSA-N 430.500 5.826 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)COCc3ccccc3)c2)cc1 1874703175 CCZZVNTXQLHXFP-LFIBNONCSA-N 430.500 5.494 30 10 IKEE C=CCN(CC=C)CCC(=O)c1cccc(OC(=O)c2cccc(Oc3ccccc3)c2)c1 1874732879 LLUUSNOVYQATRS-UHFFFAOYSA-N 441.527 5.945 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1OC 1875098499 COJJXWASJVABDA-FOWTUZBSSA-N 438.479 5.972 30 10 IKEE CCCCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccccc2)cc1OCC 1875128497 HAHZDLBKXONOMJ-OUKQBFOZSA-N 431.326 5.840 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)C3CCCC3)c(Br)c2)c(C)c1 1875135065 YBDVVXRFBZLKQL-DHZHZOJOSA-N 427.338 6.058 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3[nH]c4ccc(C)cc4c3C)cc2)cc1F 1875152711 PVQNPHAUPVQZFR-KPKJPENVSA-N 443.474 6.048 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(Oc4ccccc4)cc3)cc2)cc1 1875164810 BSBRYCMHDIVUAW-DEDYPNTBSA-N 448.518 6.832 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3c(OC)cccc3OC)cc2)c(C)c1C 1875167545 GTZNHBHDLDJYCZ-RVDMUPIBSA-N 446.499 5.445 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)Oc3ccc(Cl)cc3)cc2)c(C)c1 1875182609 LWPRMIMHQQEUFB-CDXDBMBRSA-N 448.946 6.534 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)CCCOc3ccccc3)cc2)c(C)c1 1875182676 PDWVQGGARIQKIK-DTQAZKPQSA-N 428.528 6.273 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1cccc(Cl)c1 1875183662 MUAUTGOLCLYSQD-PKNBQFBNSA-N 448.946 6.779 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)cc3F)cc2)cc1C 1875186712 JEBOHVVCBMDRIU-IZZDOVSWSA-N 436.454 5.634 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)c3ccccc3)cc2)c(OC)c1OC 1875193951 HGCQJYZJECHNLF-QIPRVMPFSA-N 446.499 5.318 30 10 IKEE O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cn(C2CC2)c2c(F)c(F)c(F)cc2c1=O 1891026993 OWGBIRDSJKMQSO-UHFFFAOYSA-N 444.306 5.164 30 10 IKEE N#Cc1ccc(CNC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)s1 1891619380 NZPZQWBJZYMKLV-UHFFFAOYSA-N 446.535 5.827 30 10 IKEE C#C[C@H](NC(=O)[C@@H](CC)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCC1 1901481161 AHEGDKYVMADWCY-IZZNHLLZSA-N 444.575 5.002 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)C1 1944696925 DLJFLQDVUOXBFC-LPHOPBHVSA-N 449.979 5.621 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)cc1 1949489320 HYHGYQWQDRIGFA-KHCICDEESA-N 427.545 5.028 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@](CC)(NC(=O)OC(C)(C)C)C(F)(F)F 1950500450 CNXISVQJFASSBE-UGKGYDQZSA-N 444.538 5.363 30 10 IKEE N#C[C@@H](NCC(F)(F)F)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2016685669 JNJQIJAMNMIFJQ-OAQYLSRUSA-N 426.438 5.561 30 10 IKEE C[C@@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)[C@H](OCc2ccccc2)C1 2043777248 UWPCEBXGVXJFMS-GVCORALISA-N 438.543 6.235 30 10 IKEE CN(c1ccccc1)c1ccc(C=CC(=O)c2cccc(Br)c2)cc1[N+](=O)[O-] 2053622084 KYCAUWPEFHRGQC-UHFFFAOYSA-N 437.293 6.021 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@]2(CC[C@]2(C#N)N(C(=O)OC(C)(C)C)c2ccccc2)C1 2066137754 DKZPHIRVPCUSDN-LOSJGSFVSA-N 441.572 5.502 30 10 IKEE Cc1ccc([C@@H](n2nc(C(C)(C)C)c(C#N)c2I)C2(C)CC2)cc1 2079033198 QNARAOFDURPRFB-QGZVFWFLSA-N 433.337 5.355 30 10 IKEE CC(C)(C)[C@@H](c1ccc(C(F)(F)F)cc1)n1nc(C2CCC2)c(C#N)c1Br 2079875741 YKFYFKCWGNKDNA-QGZVFWFLSA-N 440.307 6.439 30 10 IKEE CC(C)[C@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C2(C)CC2)c(C#N)c1Br 2080006395 QHAHRDZZWGMUEL-OAHLLOKOSA-N 444.270 5.972 30 10 IKEE CC(C)c1nn2c(Cl)cc(-c3cc(Br)cc(C(F)(F)F)n3)nc2c1C#N 2081265319 OJIPFHZLNOPBRD-UHFFFAOYSA-N 444.642 5.221 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(C)(C)Nc1cc(Br)c(C#N)cc1F 2106001419 RQRVQLAVDRUPIM-MRXNPFEDSA-N 426.330 5.050 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1cccn2ccnc12 2151637292 NPOFLETXFDJGOL-QGZVFWFLSA-N 427.302 5.103 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1csc(C2CC2)c1 2267849923 SDBBGCODFQXPRB-QGZVFWFLSA-N 433.371 6.394 30 10 IKEE C=C(C)CCCC[C@@H](N)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2271756617 TVEQCRHQRCIUNO-MOPGFXCFSA-N 425.411 5.349 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)CN(C(=O)OC(C)(C)C)[C@H](C)CC 2296219723 QYWZWZFXLQWRSA-YLJYHZDGSA-N 437.422 5.204 30 10 IKEE Cc1ccc(N=Cc2ccc(OC(=O)C=Cc3ccc(Br)cc3)cc2)c(C)c1 2296654025 XZGMOMHNRZQCNW-UHFFFAOYSA-N 434.333 6.435 30 10 IKEE CCc1ccc(N=C2SC(=Cc3ccc(O)cc3)C(=O)N2c2ccc(CC)cc2)cc1 2297455839 GRDGUXROMHEQPC-UHFFFAOYSA-N 428.557 6.326 30 10 IKEE CC1(C)CC(=O)C(C(=O)C=Cc2ccccc2)=C(Nc2ccc(N=Nc3ccccc3)cc2)C1 2297624174 VVCBJCWLONXDOC-UHFFFAOYSA-N 449.554 7.440 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H]3C[C@H]2C[C@H]3NC(=O)OC(C)(C)C)c1 2308985879 QCDKBHLHDFTRFC-FTWJINIUSA-N 441.572 5.322 30 10 IKEE CCN=C1SC(=Cc2c(OCc3cccc(C)c3)ccc3ccccc23)C(=O)N1CC 2313556959 PJYUYHKWGJNTLN-UHFFFAOYSA-N 430.573 6.039 30 10 IKEE O=C(C=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cccc(NC(=O)c2ccco2)c1 2314457048 UVOWFWFPAMDGAU-UHFFFAOYSA-N 428.400 5.596 30 10 IKEE CCCCCOc1ccc(C=Nn2cnnc2SCc2ccccc2F)cc1OC 2318574958 WLWIXEJVHKIVHR-UHFFFAOYSA-N 428.533 5.169 30 10 IKEE Cc1cc(OCc2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1c(Cl)cccc1Cl)O2 2321773107 RGXUNSGMOVDDAH-UHFFFAOYSA-N 445.729 7.150 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1cnc2ccccc2n1 2321796573 XFZJTHFDBZRMEF-UHFFFAOYSA-N 440.935 5.141 30 10 IKEE Cc1c(OCC=Cc2ccccc2)ccc2c1OC(=Cc1c(Cl)cccc1Cl)C2=O 2321817165 ZKTOWQPCQUVXDR-UHFFFAOYSA-N 437.322 7.010 30 10 IKEE CCOc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN([C@@H]2CCCC[C@@H]2C)C4)cc1 2322153243 QFJGVOHOLZEDLV-HTAPYJJXSA-N 433.548 5.741 30 10 IKEE COc1cccc(C(=O)C=Cc2c(OCC(=O)Nc3nccs3)ccc3ccccc23)c1 2322371614 CGVXWTSJGYZELS-UHFFFAOYSA-N 444.512 5.219 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccccc1 2322545564 BPAQWQCKQNKPLC-UHFFFAOYSA-N 435.523 6.316 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccccc2OCc2ccc(Cl)cc2Cl)c1 2322659443 QETHPQDFRJARFM-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(F)c(F)c2)c1OCc1cc(C)ccc1C 2322781532 FGQBQGKCJDUYDM-UHFFFAOYSA-N 442.889 6.719 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)c1OCCc1ccccc1 2322842697 XWBBPTNHGDGDGY-UHFFFAOYSA-N 448.990 7.100 30 10 IKEE COC(=O)c1ccc(C=C2Oc3c(ccc(OC(=O)c4cccc(Cl)c4)c3C)C2=O)cc1 2322914356 MDBJNWHCAPPHOM-UHFFFAOYSA-N 448.858 5.270 30 10 IKEE CC(=O)Nc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)c1 2322953297 IYOWCXMZYPGHGN-UHFFFAOYSA-N 433.847 5.134 30 10 IKEE CCOc1cc(C=NNc2ccc(F)cc2)ccc1OCc1c(Cl)cccc1Cl 2322953313 PJNRTHCIMYBWHQ-UHFFFAOYSA-N 433.310 6.556 30 10 IKEE CCOC(=O)c1ccc(COc2ccccc2C=CC(=O)c2cc(Cl)ccc2Cl)o1 2322999467 OPCTZICQQFBNKU-UHFFFAOYSA-N 445.298 6.238 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)CCc4ccc(C)cc4)cc(C)c3C2=O)cc1 2323081283 IQRMRAJCABHHLE-UHFFFAOYSA-N 428.484 5.466 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(OC(=O)Cc4ccc(F)cc4)c3C)C2=O)cc1 2323228900 SXQKLXWWGIWKAY-UHFFFAOYSA-N 432.447 5.297 30 10 IKEE CCCCCCCOc1ccccc1C=NNS(=O)(=O)c1cc(C(C)(C)C)ccc1C 2323352625 UYOOOTYAPGPDGV-UHFFFAOYSA-N 444.641 5.954 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)C=Cc1ccc(C(C)(C)C)cc1 2323437659 HPSHZAGHDDEYIX-RUZDIDTESA-N 442.688 6.539 30 10 IKEE CCOc1cc(C=NS(=O)(=O)c2cccs2)ccc1OCc1cc(C)ccc1C 2323438320 RNVNNYKQURHGJK-UHFFFAOYSA-N 429.563 5.150 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(OC)c(OCC(=O)Nc3ccccc3)c(OC)c2)cc1 2323462247 BDMLTZHZALFZIN-UHFFFAOYSA-N 445.515 5.180 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cccc(C)c3)cc2)cc1 2323536355 NWGYTUPBLPFZCE-UHFFFAOYSA-N 427.544 6.251 30 10 IKEE CCCCCCCCNC(=O)[C@H]1CCCN1C(=O)C=Cc1ccc(Cl)c(Cl)c1 2323648451 DXRUAEGFAPFPBX-HXUWFJFHSA-N 425.400 5.474 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(OC)c1OCc1ccc(Cl)cc1 2323759455 BXLNFEOVJBEAJI-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE CCCOC(=O)COc1c(Cl)cc(C=CC(=O)c2cccc(Cl)c2)cc1OCC 2323767079 PCKIGQWZLIBUJV-UHFFFAOYSA-N 437.319 5.620 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc([N+](=O)[O-])c1OCc1ccccc1Cl 2323813016 PIOLHWZJZRLCOH-UHFFFAOYSA-N 437.879 6.122 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(OC)cc2)C3=O)cc1 2323823477 LTXBFSVWSPWBDN-UHFFFAOYSA-N 444.483 5.628 30 10 IKEE Cc1c(O[C@H](C)C(=O)Nc2ccc(F)cc2)ccc2c1OC(=CC=Cc1ccccc1)C2=O 2324319366 YVUUQWVUYJFNPS-GOSISDBHSA-N 443.474 5.713 30 10 IKEE COc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1OC 2324356639 DZCTZIJNHGQMKB-OAQYLSRUSA-N 444.556 5.596 30 10 IKEE N#C[C@@H](C(=O)C=Cc1ccccc1Cl)c1nc(-c2ccc(Br)cc2)cs1 2324416688 VNPYWSSROAPWHZ-INIZCTEOSA-N 443.753 6.116 30 10 IKEE CC(C)c1ccc(-c2csc([C@@H](C#N)C(=O)C(=Cc3ccccc3)c3ccccc3)n2)cc1 2324648223 SPKPHMPWBAVDMC-SANMLTNESA-N 448.591 7.351 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OCC(=O)N[C@H](C)c4ccccc4)c3C)C2=O)c1 2325019943 OTSPIHUPEFGZGH-LJQANCHMSA-N 427.500 5.176 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O 2325092549 KXNOIQYACVCCGG-OAQYLSRUSA-N 442.939 6.237 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1cccc([N+](=O)[O-])c1 2325532568 DWCBWCWOKZKJTE-UHFFFAOYSA-N 429.933 5.357 30 10 IKEE CCN(CC)c1ccc(NC(=O)C(=O)C=Cc2cccc(OCc3ccccc3)c2)cc1 2325669270 IWLNFICCCMGOLC-UHFFFAOYSA-N 428.532 5.333 30 10 IKEE O=C(COc1ccccc1)Oc1cccc(C=CC(=O)c2ccc(Cl)cc2Cl)c1 2325709390 HYOJXHIDMJBCCF-UHFFFAOYSA-N 427.283 5.874 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OC(=O)Cc1ccc(F)cc1F 2325741170 UWWZQLOJFUSZGK-UHFFFAOYSA-N 440.417 5.465 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)c3cncc(C)c3)c2)cc1C(C)C 2325754111 CEIDHKFTCXDPFU-UHFFFAOYSA-N 429.516 5.946 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2)c(C)c1C 2325755688 ARMTXRNIJZBVDV-UHFFFAOYSA-N 445.471 5.644 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(C)cc3)c2)c2ccccc12 2325776209 SOWHANFNRFVGPY-UHFFFAOYSA-N 436.507 6.201 30 10 IKEE CCc1nnc(SCc2cccc(C)c2)n1N=Cc1cc(Cl)c(OC)c(Cl)c1 2326379875 UKYPBUQXGKDAQQ-UHFFFAOYSA-N 435.380 5.639 30 10 IKEE Cc1nnc(SCc2ccccc2Cl)n1N=Cc1ccccc1COc1ccccc1 2326540957 IHEKETDDQCMWIG-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE Cc1ccc(CSc2nnc(CC34CC5CC(CC(C5)C3)C4)n2N=Cc2ccco2)cc1 2326878635 PFDXJPCEVXYRBZ-UHFFFAOYSA-N 446.620 6.113 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccc(C(C)(C)C)cc1 2327576052 ULYKOWYEZIZYJW-UHFFFAOYSA-N 443.016 6.192 30 10 IKEE CCCCOc1ccc(C=Nn2c(CCc3ccccc3Cl)nnc2SC)cc1 2327915531 CQBAPSMFGFAWBZ-UHFFFAOYSA-N 428.989 5.500 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc(OCC)cc1 2327956698 CRQXHZKCUBKQCV-UHFFFAOYSA-N 441.000 5.666 30 10 IKEE CCCCC1CCC(c2nnc(SCc3cccc(C)c3)n2N=Cc2ccc[nH]2)CC1 2328131361 NCDTWKCDLREFDZ-UHFFFAOYSA-N 435.641 6.553 30 10 IKEE COc1cccc(CCc2nnc(SCc3ccccc3)n2N=Cc2ccccc2C)c1 2328636496 IDBWVAKDXZOXFG-UHFFFAOYSA-N 442.588 5.555 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3F)n2N=Cc2ccccc2F)c1 2329750628 UWHZPQUULBSWSP-UHFFFAOYSA-N 448.542 5.938 30 10 IKEE CCc1ccc(C=Nn2c(Cc3ccc(C)cc3)nnc2SCc2ccc(F)cc2)cc1 2329943653 QGHPDZZSBWAKPC-UHFFFAOYSA-N 444.579 6.053 30 10 IKEE COc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccc(F)cc2)cc1 2330233078 WCBSDWIVCZNLPJ-UHFFFAOYSA-N 438.572 5.723 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)C=Cc1ccc(F)cc1)c1ccccc1 2330532988 YRGQENKCBATSFH-AREMUKBSSA-N 438.587 5.953 30 10 IKEE CCc1ccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2-c2ccccc2)cc1 2330674848 WRJVYMCPVVKTPH-UHFFFAOYSA-N 426.589 6.299 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc(C)cc(C)c3)c([N+](=O)[O-])c2)cc1 2330750145 OPIIIFVLLLBVNM-UHFFFAOYSA-N 429.472 5.889 30 10 IKEE CC(=O)NCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccc(C(C)(C)C)cc1 2330767021 WEZXYTLGDIGPEX-UHFFFAOYSA-N 449.624 5.003 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Br)cc2)ccc1OC(=O)CC(C)(C)C 2330896199 IHUCQENJKLPIRJ-UHFFFAOYSA-N 431.326 5.695 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)COc1c(C)cccc1C 2331081530 WIRWXRXVZWYBIB-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(C)c([N+](=O)[O-])c1 2331282211 QLGDBLWDHWRJAY-UHFFFAOYSA-N 445.471 5.726 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)[C@@H]3CCCO3)c(Br)c2)c1 2331320422 LVASFFXIJAZRHY-NRFANRHFSA-N 429.310 5.046 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)CC(C)C)c(Br)c2)c1 2331386684 ABIDRSXTUZKYHE-UHFFFAOYSA-N 447.325 5.314 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)cc(Cl)c1OC(=O)C1CCC1 2331402289 KURVJGAWPVUTEJ-UHFFFAOYSA-N 442.895 5.112 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)Cc1ccc(C)cc1 2331429917 UGZMECHSOSVSHM-UHFFFAOYSA-N 442.555 6.345 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(F)c2)cc(Cl)c1OC(=O)C1CCC1 2331460475 GZYDVTYECVZCIQ-UHFFFAOYSA-N 432.875 5.488 30 10 IKEE COc1ccccc1C=Nn1c(CC(C)C)nnc1SCc1c(F)cccc1Cl 2331474528 PDVSRTNWIFNVAF-UHFFFAOYSA-N 432.952 5.452 30 10 IKEE Cc1cccc(C)c1OCC(=O)Oc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1 2331491543 PLQONKOJEGGVPY-UHFFFAOYSA-N 428.528 6.307 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1 2331659478 KKWPQITXEYCSOX-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)C=Cc2ccc(C)cc2)n(-c2ccc(Cl)cc2)n1 2331673530 QJGQWAJKAQOCLA-UHFFFAOYSA-N 433.943 5.059 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C(C)C)cc1 2331708034 PWSBGLLSKHVACN-UHFFFAOYSA-N 442.032 6.076 30 10 IKEE CCC[C@@](C)(CNC(=O)OC(C)(C)C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339582768 RUNRBQNNIRCIPL-RQOTYCFOSA-N 446.397 5.189 30 10 IKEE C=C[C@H](C)C[C@@H](Cc1ccc(I)c(Br)c1)NCCC 2349789697 ZGNAKPJLRATRGM-JSGCOSHPSA-N 436.175 5.177 30 10 IKEE CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(N(CC)CC)cc1 9861348 CIVIGKKKQJSWFA-MUUNZHRXSA-N 445.607 6.230 30 10 IKEE O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@H](c1ccc(Cl)cc1)n1c(nc3ccccc31)N2 19639421 IDPHRNQQUJRBPG-NSYGIPOTSA-N 443.909 6.245 30 10 IKEE O=C(CSc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)o1)Nc1ccc2ccccc2c1 20074483 JEJNSNQHYNRRSS-ZVHZXABRSA-N 446.488 5.518 30 10 IKEE CCc1ccc([C@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2CCc2ccccc2)cc1 35444930 ZFRHPLRJKGWXTF-IHZXSAJXSA-N 437.539 5.470 30 10 IKEE COc1ccc(/C=C2\S/C(=N/c3nc(C)cs3)N(C3CCCCC3)C2=O)cc1OC 39865571 DYVMJJOKAAKLCB-QLIPUSLZSA-N 443.594 5.405 30 10 IKEE Cc1cc(OCC(=O)Nc2sc(=S)c3c(c2C#N)CC[C@H](C)C3)ccc1C(C)C 41015131 RPRSBLTVRYDUFB-AWEZNQCLSA-N 426.607 5.923 30 10 IKEE C=C(C)COc1ccc2ccccc2c1[C@H]1Nc2ccccc2C(=O)N1C[C@@H]1CCCO1 66133066 IQGXRZWUWIMCQW-FNZWTVRRSA-N 428.532 5.540 30 10 IKEE Cc1cccc(-c2nc3sc(-c4ccccc4)cc3c(=O)n2Cc2cccc(C#N)c2)c1 96531551 REFBRPRYDKIUFR-UHFFFAOYSA-N 433.536 6.020 30 10 IKEE CCCCCCCOc1cccc(NCCNc2cccc(OCCCCCCC)c2)c1 100054642 MPIJJPGPWKLSKF-UHFFFAOYSA-N 440.672 7.909 30 10 IKEE CCOc1ccccc1/C=C\C(=O)c1c(O)nc2ccc(Cl)cc2c1-c1ccccc1 102653590 PUPQVMXQMVSIDH-QINSGFPZSA-N 429.903 6.556 30 10 IKEE COc1ccc(Nc2ccc(/N=C3\C=C(c4ccccc4)[C@](O)(c4ccccc4)C3)cc2)cc1 102944023 XNTQEFLKIURNSJ-DUHZSECESA-N 446.550 6.886 30 10 IKEE O=C1C(Cl)=CC(Cl)=C/C1=C/Nc1cc(C(F)(F)F)ccc1OCC(F)(F)F 137223759 RNGSCNAXWYKOSW-VURMDHGXSA-N 432.147 5.770 30 10 IKEE COc1cc(/C=N\Nc2nc3ccccc3s2)cc([N+](=O)[O-])c1OCc1ccccc1C 169890370 IJTIJRIVBPLWQW-CFRMEGHHSA-N 448.504 5.547 30 10 IKEE Cc1cc(-c2csc3nc(C(C)C)n(Cc4cccc(C#N)c4)c(=O)c23)ccc1Cl 169902445 CWKKDVJCBDPNQH-UHFFFAOYSA-N 433.964 6.130 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1cccc(C)c1 169971344 WDRMMODERKOUDN-HSZRJFAPSA-N 449.453 5.373 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1cccnc1 170005228 AFIJJNBIWLVDCQ-JOCHJYFZSA-N 443.890 5.308 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccccc2)c1 170047527 IMBOHOBREDTTDE-HSZRJFAPSA-N 431.463 5.316 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccc(F)cc2)cc1 170062110 WCXGDLGUURNTIG-JOCHJYFZSA-N 435.426 5.065 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)ccc1F 170065327 DPFVDANYSBMNME-JOCHJYFZSA-N 437.417 5.191 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC)c3)[C@H]2c2ccco2)c1 170089586 KVPOXZIYVDDOGA-HSZRJFAPSA-N 447.487 5.250 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2cccs2)ccc1F 170166982 DRHHXROGRCVWOM-HXUWFJFHSA-N 425.456 5.113 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccn1 170173277 YDNQTRSAYBVTRZ-QHCPKHFHSA-N 426.516 5.470 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2cccnc2)c1 170185338 IDWZXBVXQHEELW-VWLOTQADSA-N 434.495 5.635 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccncc2)cc1 170209406 AMRHKQGSSSGDGU-QHCPKHFHSA-N 434.536 5.027 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@H]1c1ccc(OCC)cc1 170213702 XWRUEAIOCWHDSK-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2ccccc2)c1 170224145 XRURGBLMHLKKJU-XMMPIXPASA-N 425.484 5.103 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2)c1 170226107 YQRQLZIVYSJNEB-XMMPIXPASA-N 427.500 5.504 30 10 IKEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(Cl)cc4)[C@H]3c3ccccc3)ccc2O1 170226659 CRIVYVLEVDKMNF-WNSKOXEYSA-N 445.902 5.446 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccccc1)c1ccc(Br)cc1 170231444 QWFQZHLHRIBSRW-FQEVSTJZSA-N 440.337 5.360 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccc(F)cc1 170240348 IHGSHETULOVRHR-VOIUYBSRSA-N 443.474 5.240 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 170243806 JQPFGUCMNQCKMX-LJQANCHMSA-N 446.316 5.357 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccco2)c1 170285030 LUDOPTDHZLHTLP-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccco1)c1cc2cc(Cl)ccc2o1 170293384 SEWOFNQYOPHZAO-HXUWFJFHSA-N 425.868 5.590 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(C)o2)c1 170300002 FTYBRNDNHYXGRN-HSZRJFAPSA-N 427.456 5.734 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(F)c(F)c2)c1 170364599 LLKWRJVRFVCDNA-QHCPKHFHSA-N 449.453 5.455 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(N(C)C)cc2)cc1 170378398 SWTSRMXVDKOGLE-DEOSSOPVSA-N 441.531 5.054 30 10 IKEE C=CCOc1ccccc1OCC(=O)Nc1ccc(-c2csc(-c3ccccc3)n2)cc1 170514066 DVYLWJQDPRZPCH-UHFFFAOYSA-N 442.540 6.059 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 226698785 VHNLTAOOLJKMRA-OHUGHZGNSA-N 440.971 7.424 30 10 IKEE Cc1cc(-c2ccccc2)nc2oc3c(=O)n(N=Cc4ccc(Cl)cc4Cl)cnc3c12 254762009 CBQWPSWHNXBYBE-UHFFFAOYSA-N 449.297 5.702 30 10 IKEE CCCCc1c(-c2ccc(C=NO)s2)sc(-c2ccc(C=NO)s2)c1CCCC 254770370 BODIXFLCTGIJKP-UHFFFAOYSA-N 446.663 7.507 30 10 IKEE CCN[C@@H](CC#CC(C)(C)C)c1cc(I)ccc1Br 388752311 AZLOGIKFOAXUOM-HNNXBMFYSA-N 434.159 5.144 30 10 IKEE C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN(Cc4ccccc4)Cc4ccccc4)[C@@H]3C[C@H]12 504379749 HSBSDJNJPQPKOI-RJPVIBROSA-N 429.604 6.003 30 10 IKEE biogenic N#Cc1ccccc1N1C(=O)C(O)=C(c2ccc(Cl)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 526607537 XMEMADRCAMVXLP-OAQYLSRUSA-N 431.835 5.177 30 10 IKEE CC(C)Oc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(F)ccc2F)c1 526711117 XTFITVDBHJDXGE-QHCPKHFHSA-N 449.453 5.535 30 10 IKEE COc1cc(/C=N\n2cnnc2SCc2c(Cl)cccc2Cl)cc(Cl)c1O 526814451 OMOQRPVLTWVBQV-HOEBFWFUSA-N 443.743 5.127 30 10 IKEE Cc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccc(OC(C)(C)C)cc1 526816835 DOCAKTRIBRMING-MSXFZWOLSA-N 432.952 5.731 30 10 IKEE CCOc1ccc(/C=N\n2c(C)nnc2SCc2cccc3ccccc23)cc1Cl 526821332 MZJQETCVLAZSOI-QFEZKATASA-N 436.968 5.966 30 10 IKEE C=CCN(c1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586243702 QKBSFSDIUNOWHE-UHFFFAOYSA-N 425.381 5.365 30 10 IKEE N#Cc1cccc(C(=O)N(c2ccccc2F)S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 586269456 WBCLKYSNOPJTIL-UHFFFAOYSA-N 449.290 5.040 30 10 IKEE CCCCCCCCc1ccc(C(=O)C[C@@H](Nc2ccc([N+](=O)[O-])cc2O)C(=O)O)cc1 606657265 ZACIKYALVCMSMK-OAQYLSRUSA-N 442.512 5.342 30 10 IKEE C#CCCCCC[C@H](NCC)c1cc(I)ccc1Br 686689172 FWWHPCUDUSOSGJ-INIZCTEOSA-N 434.159 5.288 30 10 IKEE 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)c1cccc(F)c1 698832056 PKEBPCCBJPYDHS-JVNPVLLESA-N 445.535 5.105 30 10 IKEE COc1ccc(Br)c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)c1 698889663 GVQZKGTYJOTXBQ-GOSISDBHSA-N 435.293 5.603 30 10 IKEE COc1ccc(C=NNc2nc3ccccc3s2)cc1COc1ccc(NC(C)=O)cc1 1084112310 ZFMQZGWHWPMWJG-UHFFFAOYSA-N 446.532 5.288 30 10 IKEE Cc1cccc(C)c1NC(=O)CSc1ccc(C=Nc2ccc(-c3ccccc3)cc2)o1 1084417551 AVEJPPCRRYHJMF-UHFFFAOYSA-N 440.568 7.045 30 10 IKEE CCN(CC)S(=O)(=O)c1ccc(N=Cc2ccc3c(c2)c2ccccc2n3CC)cc1 1084556703 BKBBPUJXTWRRSX-UHFFFAOYSA-N 433.577 5.596 30 10 IKEE Cc1nnc(N=C2S/C(=C/c3cn(C)c4ccccc34)C(=O)N2C2CCCCC2)s1 1772734942 DQKSZJCEUSRYGI-PTOVGEMASA-N 437.594 5.275 30 10 IKEE O=C1/C(=C\c2ccc(Cl)cc2)SC(=Nc2ccncc2Cl)N1c1ccccc1 1772735392 HNRZZLRWVJYIAB-KHCNQNERSA-N 426.328 6.197 30 10 IKEE Cc1nnc(N=C2S/C(=C/c3cn(C)c4ccccc34)C(=O)N2c2ccccc2)s1 1772737417 LKJLXVWAFRUIPZ-PTOVGEMASA-N 431.546 5.147 30 10 IKEE COc1cccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)nn2-c2ccc(Cl)cc2)c1 1859404535 JONCKOQPDDNBPS-UHFFFAOYSA-N 428.879 5.325 30 10 IKEE CCCCCCCCCCNC(=O)c1cc(C(C)C)nc2c(Br)cccc12 1859577528 FTVHSHCFYVFXIM-UHFFFAOYSA-N 433.434 6.991 30 10 IKEE N#Cc1cccc(COc2cccc(NC(=O)COc3ccc(Cl)cc3Cl)c2)c1 1860103676 INMXQQSLKCQVIF-UHFFFAOYSA-N 427.287 5.462 30 10 IKEE CC(C)c1ccc(/C=C/C(=O)Nc2cc(NC(=O)c3cccc(C#N)c3)ccc2Cl)cc1 1860461574 HCAXWDPRGIBARU-MDWZMJQESA-N 443.934 6.239 30 10 IKEE CC[C@@H](Sc1nc(O)c(C#N)c(-c2ccccc2Cl)n1)C(=O)OC1CCCCC1 1860827706 ZTVGSFHKHUCLQH-QGZVFWFLSA-N 431.945 5.121 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(F)cc1 1861376738 PTBSZKVZKWQRAU-DEOSSOPVSA-N 442.575 5.129 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 1862396892 ILMMSRVNDVZCCY-NRFANRHFSA-N 445.481 6.035 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2ccc3c(c2)OCCO3)cc1 1862397517 QOHINHSODUUPFL-XDHUDOTRSA-N 449.547 5.177 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1c(Cl)cccc1Cl 1862406606 UACOVFLGPDCYCO-IBGZPJMESA-N 434.319 5.299 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc2cc[nH]c2c1 1862432389 CWRDYGKDXRKHHB-QFIPXVFZSA-N 436.939 5.980 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(Cl)cc1 1862432622 JAVZZMCOTCDJHR-MMACOIQUSA-N 444.358 6.150 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(C)c1 1862441881 DRDPISTTXARPNX-JOCHJYFZSA-N 441.955 5.434 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@@H]1c1cccc(O)c1)c1cccc(Cl)c1 1862443122 NQIDMUPIRUEXQJ-JOCHJYFZSA-N 439.939 5.737 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862450288 DDLPDKVOFIEIBJ-VFNWGFHPSA-N 427.928 5.506 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(OCC)c(OC)c1 1862452767 KJHXNBJNAIGZQG-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(CC)cc1 1862473465 BLKSDWNFMCOUJF-XMMPIXPASA-N 435.564 5.343 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2c(F)cccc2Cl)cc1 1862481065 WEERFQIXINVTHF-OAQYLSRUSA-N 445.918 5.181 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc(Cl)c1 1862652880 LTBWEOYUMFPCPI-JOCHJYFZSA-N 435.907 5.108 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCCc2ccccc2)cc1 1862674760 SOZJAIOYLLUNDI-RUZDIDTESA-N 443.518 5.735 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862715572 PCTOJLSDXZEFAI-HHHXNRCGSA-N 447.534 6.181 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccc(F)c1 1862724309 LHYREXRBOJPNJS-XDHUDOTRSA-N 429.491 5.870 30 10 IKEE CCc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(Cl)cc3)C2=O)cc1 1862792960 ZOOBKVZMNOUMHD-UHFFFAOYSA-N 427.891 5.171 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCC)=C(c2ccc(OC)c(OC)c2)C1=O 1863520196 GLAVTYNDQGSTKL-UHFFFAOYSA-N 444.616 5.314 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCO)=C(c2cccc3ccccc23)C1=O 1863583206 PYGIPWZJHAPTTI-UHFFFAOYSA-N 436.596 5.032 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)c2ccc(Oc3ccccc3)cc2)c1 1865940184 QAJUMISWDPCILI-UHFFFAOYSA-N 432.479 6.142 30 10 IKEE Cc1cccc(-c2ccc3[nH]cc(C(=O)Nc4sc5c(c4C#N)CCC5)c(=O)c3c2)c1 1866474741 IMLKFWZSFLYXSB-UHFFFAOYSA-N 425.513 5.178 30 10 IKEE N#Cc1ccc(Nc2cc(N3CCC[C@@H](Oc4ccccc4)C3)nc(-c3cccnc3)n2)cc1 1868575854 LVVPPJMWGYORJD-XMMPIXPASA-N 448.530 5.202 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3ccccc3[C@@H]2C(C)C)nc(Cc2ccccc2)n1 1869071712 FABOKVZXTGWBTE-LJAQVGFWSA-N 438.619 6.006 30 10 IKEE C=CCN(CC=C)c1cc(N2C[C@@H](C)Cc3c(C)ccc(C)c32)nc(-c2ccccc2C)n1 1869148089 HLNXBPDETDLQHD-FQEVSTJZSA-N 438.619 6.578 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCOc2cccc3ccccc23)cn1CCCC 1870592433 VSGWUYGXWXWPQF-UHFFFAOYSA-N 446.591 5.433 30 10 IKEE C=CCOc1cn(CCc2ccc(C)cc2)c(CNc2ccc(Cl)c(Cl)c2)cc1=O 1870809509 HETDYEPOOJCNML-UHFFFAOYSA-N 443.374 5.883 30 10 IKEE COc1ccc(Oc2ccc(-c3nc(C)c(C(=O)Nc4ccccc4C#N)s3)cc2)cc1 1871284123 MFTIXFAZUUQEAR-UHFFFAOYSA-N 441.512 6.043 30 10 IKEE CCCCN1COc2ccc3c(c2C1)O/C(=C\c1cc(Br)ccc1OC)C3=O 1871346384 CRWDFHWPFFMGFA-JAIQZWGSSA-N 444.325 5.026 30 10 IKEE CCN(CC)CCCCN1COc2c(cc3c(c2C)O/C(=C\c2ccccc2C)C3=O)C1 1871354814 CEHXNQPHABPGQN-JLPGSUDCSA-N 434.580 5.194 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)ccc3C2=O)cc1 1871375215 ZHNVBXGUOJCIQC-DTAINRSBSA-N 446.886 5.974 30 10 IKEE CCCOc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2sccc2C)C3=O)cc1 1871387732 MGPDNJDFINPPAA-STZFKDTASA-N 434.513 5.989 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc3C2=O)cc1 1871388401 UIFYGELBEJUUEV-OYKKKHCWSA-N 430.456 5.318 30 10 IKEE CC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2C)C3=O)c1 1871390031 AZNDFHGIQGIUAB-QRVIBDJDSA-N 428.440 5.064 30 10 IKEE Cc1ccccc1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccccc1F)C2=O 1871409475 OXRZONLJDZMWKO-ICODJCHTSA-N 431.463 5.465 30 10 IKEE COc1cccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccccc4C)cc(C)c3C2=O)c1 1871409488 PBHVHQCAPCRBCD-YNJLWJOVSA-N 443.499 5.334 30 10 IKEE C[C@@H](Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O)C(=O)Nc1ccc(Cl)cc1 1871415348 XUJLZJGFIZPKHL-JCRYTKJOSA-N 437.854 5.501 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCCCOc4ccc(OC)cc4)cc(C)c3C2=O)cc1 1871415698 OTVHFEYWJGTBLP-ONUIUJJFSA-N 444.527 6.030 30 10 IKEE CCOC(COc1cc(C)c2c(c1)O/C(=C\c1ccc(N(CC)CC)cc1)C2=O)OCC 1871416110 MJMXOXYBNMAWJR-HAHDFKILSA-N 439.552 5.235 30 10 IKEE CCCOC(=O)[C@H](CC)Oc1ccc2c(c1C)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 1871434460 SXZIIACMUTYTIS-HRVJUDJTSA-N 449.330 6.029 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(Cl)cc4)cc(C)c3C2=O)c1 1871440866 LNGOABIKCKPWKV-UUYOSTAYSA-N 433.891 5.591 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(F)cc2)cc2c1C(=O)/C(=C/c1ccc(Cl)cc1)O2 1871456482 HKVUZYHKANORPB-NHDPSOOVSA-N 437.854 5.421 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(O)cc2)[nH]c(N2CCC[C@H](C)C2)n1 1871718373 HDWNRHBRMKHMLW-FQEVSTJZSA-N 440.636 5.532 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)CCCC 1871785610 NOMONPPDYPIGRT-GOSISDBHSA-N 435.417 5.109 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)CCC 1871788780 RFLRXMZFPFTRST-GOSISDBHSA-N 435.417 5.109 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccc(OC)cc3)n2)cc1 1872765060 GCQINXUEMXDCSZ-QHCPKHFHSA-N 448.588 6.197 30 10 IKEE N#C[C@H](C(=O)/C=C/c1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(Cl)cc2)cs1 1872766790 OVOXSGKTXLBRMU-GBVWOXPPSA-N 433.747 6.660 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)c3sccc3C)n2)cc1OCCC 1872767743 ZHAGNNACRVEAKG-QGZVFWFLSA-N 440.590 6.248 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(F)c(C)c3)n2)c(OCC)c1 1872783458 AARZNHGNMPJSHH-IBGZPJMESA-N 438.524 5.474 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2Cl)C(=O)N(C2CCCCCC2)C1=O 1873032243 MIKKCOKNFOSYLG-UHFFFAOYSA-N 431.020 6.093 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccco2)=C(c2cc(F)cc(F)c2)C1=O 1873108423 SOWGRVKVAKQOJK-UHFFFAOYSA-N 444.522 5.568 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H](CC)CCCCC)=C(c2cc(F)cc(F)c2)C1=O 1873110479 LMTARSYGRDUBSV-QFIPXVFZSA-N 448.598 6.354 30 10 IKEE Cc1nc(N(C)C)sc1/C=N/n1c(SCc2ccc(Cl)cc2)nnc1C(C)C 1873505554 TUGZDBSWKDNDHV-UFFVCSGVSA-N 435.022 5.060 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(F)c(F)c2)cc2c(NCc3ccccc3C)ncnc21 1873618521 DJAUGQCFHCGAEB-UHFFFAOYSA-N 433.462 5.068 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccc(N(CC)CC)cc3)c(=O)oc2c1 1873947866 FCCDMDHFMADEEB-UHFFFAOYSA-N 434.536 5.084 30 10 IKEE CCCSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1ccc(N(C)C)cc1 1874253535 FUSWNATXORCWHW-XIEYBQDHSA-N 437.613 5.048 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2/N=C/c2ccc([N+](=O)[O-])cc2)CC1 1874287354 AJLRGHQPNNZOKI-XQNSMLJCSA-N 429.590 6.035 30 10 IKEE C=CCSc1nnc(COc2ccccc2OC)n1/N=C/c1c(Cl)cccc1Cl 1874290373 QLERPJYRQFTNJZ-FSJBWODESA-N 449.363 5.333 30 10 IKEE CCSc1nnc(CCc2cccc(OC)c2)n1/N=C/c1ccc(Cl)cc1Cl 1874309176 JGNMZEMVRYBWGF-YDZHTSKRSA-N 435.380 5.373 30 10 IKEE Cc1cccc(OCc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccco2)c1C 1874321752 HZCMMAJTNYIPEH-DHRITJCHSA-N 436.512 5.381 30 10 IKEE Clc1cccc(CSc2nnc(COCc3ccccc3)n2/N=C/c2ccccc2)c1 1874354661 VYOXNMVWNVDRMR-CVKSISIWSA-N 448.979 5.823 30 10 IKEE Cc1ccc(/C=N/n2c(CCc3cccs3)nnc2SCc2ccc(F)cc2)cc1 1874368486 CSXXEAMWLZWNRX-MFKUBSTISA-N 436.581 5.747 30 10 IKEE Oc1ccccc1/C=N/n1c(Cc2ccc(F)cc2)nnc1SCc1ccccc1F 1874379924 SSXJBYMFVJMRGR-VULFUBBASA-N 436.487 5.027 30 10 IKEE Cc1ccccc1CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1ccccc1O 1874392899 XVFLIIUZFMPBAJ-JHKMYFMNSA-N 428.561 5.618 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2)n1/N=C/c1ccc(N(C)C)cc1 1874395941 YZXAJXPLXTUSGL-QZCBGFPPSA-N 441.604 5.670 30 10 IKEE C=CCSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1cc(Br)ccc1F 1874400273 MQWDGDIXOVWWRF-WQEJZQBCSA-N 445.361 5.492 30 10 IKEE Cc1ccccc1CSc1nnc(-c2cccs2)n1/N=C/c1ccc(N(C)C)cc1 1874421129 WOXFIJSBGVWTCP-BUVRLJJBSA-N 433.606 5.556 30 10 IKEE CCSc1nnc(CC(C)(C)C)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874439307 VKHPPXQEHMLIGV-MFKUBSTISA-N 443.016 6.093 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2[C@H]2CCCO2)cc1 1874450143 URURJVOPOIEZJT-BHSKHCGUSA-N 430.533 5.163 30 10 IKEE O=C(O)c1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C2CCC2)cc1 1874499131 YIEBHJDGHBKZQG-BHGWPJFGSA-N 444.919 5.211 30 10 IKEE O=C(/C=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1cccc([N+](=O)[O-])c1 1874569839 IHIRKSLQRBPLSS-BUHFOSPRSA-N 443.886 6.877 30 10 IKEE COc1cccc(/C=C/C(=O)c2cccc(Cl)c2)c1OCc1c(Cl)cccc1Cl 1874577288 GQFVJMULBGRUIS-VAWYXSNFSA-N 447.745 7.131 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCCc3ccccc3)ccc3ccccc23)c(OC)c1 1874587876 JEZRGCIOTBTGIH-FOCLMDBBSA-N 438.523 6.375 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1Cl)Nc1ccccc1F 1874611995 VTDNRLGHFQMBJF-WEVVVXLNSA-N 445.824 5.671 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(F)cc1 1874615563 FJHIOPUNPSAGLY-VZUCSPMQSA-N 445.317 7.006 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 1874617217 QOZYVPWXIQKBMD-RIYZIHGNSA-N 436.935 6.613 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)c1C 1874629120 MXWIUGGPYGHUKA-IGVGMEOHSA-N 441.571 6.073 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccccc1 1874633160 ONRSEAXMVDGGDI-SDNWHVSQSA-N 429.516 5.616 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 1874635532 QVLXVXLRWUUOCK-MHWRWJLKSA-N 429.516 6.676 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)cc1C 1874636792 SLFBLSKOLOJRGU-UKTHLTGXSA-N 443.543 5.842 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OC(=O)Cc1ccc(Cl)cc1 1874699407 UAWAXDLFPCAXHX-UUILKARUSA-N 441.310 6.046 30 10 IKEE CCCCC1CCC(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(OCCC)cc3)c2)CC1 1874701651 DGDAOCCVQDRTSM-XDHOZWIPSA-N 448.603 7.274 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OC(=O)Cc1ccc(Cl)cc1 1874704114 XCNMQLOVNKTWMD-VZUCSPMQSA-N 438.882 5.840 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(F)c(C)c3)c2)c(C)c1C 1874711555 CCGFNAMKPJMZHA-FMIVXFBMSA-N 432.491 5.804 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC(=O)C(C)C 1875080771 SGWCCGKKQPHABC-XNTDXEJSSA-N 430.500 5.828 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC(=O)c1ccccc1C 1875084833 BPOWFHMNUIPLCY-VAWYXSNFSA-N 447.443 5.036 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)C(C)(C)C)c(Br)c2)cc1OC 1875098299 CEEJFTJZKBYDFP-RMKNXTFCSA-N 447.325 5.314 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(C)c3)cc2)cc1 1875107337 KYKQCUXQLVYGSS-VIZOYTHASA-N 446.499 5.283 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccccc3)c(OC)c2)cc1 1875107793 JJFQSEJBDQSLNX-GHRIWEEISA-N 444.527 5.918 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc(Cl)c3)cc2Cl)c1 1875121182 DFQXXYJMABRSBV-SOFGYWHQSA-N 425.311 6.726 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(OC)ccc2OC)cc1[N+](=O)[O-] 1875144669 KPGLJQOOALYPPH-FMIVXFBMSA-N 441.480 5.384 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)c1cccnc1 1875156142 LSKXPZKQKJEFDN-KPKJPENVSA-N 431.488 5.338 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)COc1cccc(C)c1C 1875159177 GEBFNPPWZPNIDO-NTUHNPAUSA-N 434.463 5.332 30 10 IKEE C[C@@H](Oc1ccc(Cl)cc1)C(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1 1875162024 SMYVPESDTKFPTF-LCCUQNOHSA-N 442.845 5.887 30 10 IKEE Cc1ccccc1CCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1Cl 1875162744 SQTUJYMONPUQBW-IZZDOVSWSA-N 440.873 6.361 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3sccc3C)cc2)cc1C(C)C 1875163616 UKMDYTQBIRCCEP-DHZHZOJOSA-N 434.557 6.612 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc(Cl)c1OC(=O)CCOC 1875170788 QBXKZDSDKQXDAF-BQYQJAHWSA-N 446.927 5.202 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cncc(C)c3)c(Cl)c2)c(OC)c1 1875178641 UJQMBSFTOLZEHZ-XBXARRHUSA-N 437.879 5.176 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3)c(Cl)c2)c(C)c1 1875183296 ULBOAJVLEKYKFB-FMIVXFBMSA-N 432.947 6.700 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccccn2)c([N+](=O)[O-])c1 1875184328 UGVZEKSJUGXXDZ-FMIVXFBMSA-N 444.487 5.711 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cc(Cl)c(OC(=O)C2CCC2)c(OC)c1 1875192006 PFYZPTHDYMINTA-SOFGYWHQSA-N 435.303 5.612 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CCC(C)(C)CN1C(=O)OC(C)(C)C 1922069108 NXYBHNCHQRTDEK-PKTZIBPZSA-N 430.633 5.553 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCCC2(CCC2)[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCC1 1924833154 UDQILQLEHQBZBK-CJAUYULYSA-N 447.620 5.533 30 10 IKEE CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@](C)(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1936065308 AYFVCMFAFCWMGP-HTAPYJJXSA-N 437.606 5.317 30 10 IKEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1944889098 YGBDLJWNXDPGDH-HXOBKFHXSA-N 449.617 5.415 30 10 IKEE CCCCCCCCCC[C@@H](O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1947500566 UKXUGYKMRXAKLI-DNQXCXABSA-N 435.649 6.378 30 10 IKEE N#Cc1ccc(NCCNC(=O)OCC2c3ccccc3-c3ccccc32)c2ccccc12 1978828692 QKAQJEXRDOQAPE-UHFFFAOYSA-N 433.511 5.662 30 10 IKEE C=C(COCc1ccccc1)[C@H](NC)[C@@H]1C[C@H]2CCCC[C@@H]2N(C(=O)OC(C)(C)C)C1 2009421407 VFRPBPIACYIKOD-LWSSLDFYSA-N 428.617 5.163 30 10 IKEE CSc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)s1 2032265662 DSKAQHJAJDZKFV-CQSZACIVSA-N 439.400 6.239 30 10 IKEE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2037942448 NZQNQNGPEMZKKO-FGZHOGPDSA-N 439.644 5.997 30 10 IKEE COC(=O)c1ccc(COc2ccc(C=C(C(=O)c3ccccc3)c3ncc[nH]3)cc2)cc1 2040490008 JMEULNOCEIVDFG-UHFFFAOYSA-N 438.483 5.199 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)c(Br)c1)NCC 2047970421 KELIYJFFWZNQPJ-IRXDYDNUSA-N 431.802 5.093 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@]1(C#N)C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21 2070328365 QHUKAJHSKMPSBR-WDGUNVFXSA-N 438.612 6.224 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Cl)cc(Br)c1 2081567554 CUTJFTUOPVSIIW-DLBZAZTESA-N 431.802 5.613 30 10 IKEE C=CCC1([C@H](Cc2ccc(Cl)c(Br)c2)NC)CN(C(=O)OC(C)(C)C)C1 2110503424 JWZCWIIISFRYPI-KRWDZBQOSA-N 443.813 5.046 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)C1CC2(C1)CC2(F)F 2130895704 MQWAYLWYTZDMAE-KVIBHRHWSA-N 427.289 5.518 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCCC12CCNCC2 2144618968 BLFPTIIQJJXZLC-OAQYLSRUSA-N 434.378 5.007 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCN[C@@H](C2CCC2)C1 2194158130 LPFFOPFZTKYLDA-UTKZUKDTSA-N 434.378 5.005 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1sc(C)c(C)c1Br 2221832405 NMQIEZXFNKPPOU-ZBFHGGJFSA-N 431.440 5.638 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1sc(C)c(Br)c1C 2226137247 DQNSELOUWUIXRA-NVXWUHKLSA-N 443.451 5.475 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1Cc2ccc(Nc3ccc(C#N)c(Br)c3)cc2C1 2234127733 ZFVCRHGWUPXVJV-SFHVURJKSA-N 428.330 5.056 30 10 IKEE C=C1CCC(C[C@H](O)[C@@H](Cc2ccccc2Br)NC(=O)OC(C)(C)C)CC1 2237396913 SIZWAFWEYKGKFU-UXHICEINSA-N 438.406 5.382 30 10 IKEE CCc1ccc(C#C[C@H](N)c2cc(Br)cc(NC(=O)OC(C)(C)C)c2)cc1 2239733993 ATEXZRQEWRQOOJ-FQEVSTJZSA-N 429.358 5.410 30 10 IKEE CCN[C@@H](C#CC1CCCCC1)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2251406975 KCXKJVLEHFKZJQ-NKKJXINNSA-N 428.617 5.047 30 10 IKEE Cc1cccc(N=C2SC(=C3Sc4ccccc4N3C)C(=O)N2c2cccc(C)c2)c1 2295178674 MNLZCVCLBDWVQU-UHFFFAOYSA-N 443.597 6.482 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H](C(=O)C#Cc1cccc(Br)c1)C1CCCCC1 2296226187 CVGMZFAPFIAXBF-LJQANCHMSA-N 434.374 5.091 30 10 IKEE CN[C@@H](C#Cc1cccc(Br)c1)c1cc(C)ccc1NC(=O)OC(C)(C)C 2296266841 MPDZYPQRXIGUSA-IBGZPJMESA-N 429.358 5.417 30 10 IKEE O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2ccccc2)C1=C(O)c1ccc(F)cc1 2296311722 NBJGHJSMIDKCJL-HXUWFJFHSA-N 441.380 5.471 30 10 IKEE S=C1N(c2ccccc2Cl)C(=NC2CCCCC2)[C@H](N2CCCC2)C12CCCCC2 2297509037 MYJVFHLCZRGACJ-QFIPXVFZSA-N 444.088 6.634 30 10 IKEE O=C1C(=CC=Cc2ccccc2[N+](=O)[O-])SC(=Nc2ccccn2)N1c1ccccc1 2314541789 QDXGURQBQTVSMR-UHFFFAOYSA-N 428.473 5.355 30 10 IKEE CN1C(=O)C(=Cc2c(Cl)cccc2Cl)SC1=Nc1nc(-c2ccccc2)cs1 2314544349 ZFCAHPJPNLEDFV-UHFFFAOYSA-N 446.384 6.351 30 10 IKEE CCC(CC)c1nnc(S)n1N=Cc1ccc(OC)c(OCc2cccc(Cl)c2)c1 2321901397 CRVSIBXFUBWUKN-UHFFFAOYSA-N 444.988 5.594 30 10 IKEE Cc1ccc(COc2cccc(C=Nn3c(S)nnc3[C@H](C)c3ccccc3)c2)cc1 2321962127 PZULQYLSTIFLNA-LJQANCHMSA-N 428.561 5.488 30 10 IKEE Cc1ccccc1CCc1nnc(S)n1N=Cc1cccc(OCc2ccc(F)cc2)c1 2321993827 QOKLUTCLWCJBQU-UHFFFAOYSA-N 446.551 5.261 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2cc(C)cc(C)c2)c1 2322373891 HIJPHHOEFYEUCR-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE COc1cc(Br)cc(C=CC(=O)c2ccc(Cl)cc2Cl)c1OCCO 2322391118 JMQPAIINIOWACU-UHFFFAOYSA-N 446.124 5.032 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2ccccc2)cc1C 2322415943 NUPABOPTFSJIRU-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE O=C(C=Cc1cc(Br)ccc1OCc1ccc(F)cc1)c1ccc(F)cc1F 2322492712 WWCVLYKSAXCDNI-UHFFFAOYSA-N 447.250 6.342 30 10 IKEE Cc1ccc(C(=O)C=Cc2c(OCC(=O)Nc3cccc(C)c3C)ccc3ccccc23)cc1 2322591439 FNJPYRJQHMHYEQ-UHFFFAOYSA-N 449.550 6.679 30 10 IKEE Cc1c(OC(=O)c2cc3cc(Cl)ccc3o2)ccc2c1OC(=Cc1ccccc1F)C2=O 2322847282 UWJXCOHDRQSTFN-UHFFFAOYSA-N 448.833 6.369 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccc(C)c(C)c1 2322886688 ZCXZCKCXHUMMGC-UHFFFAOYSA-N 443.587 6.380 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc(OC(=O)c3cccc(Cl)c3)c2C)C1=O 2322915962 DHNDVEGJACELLK-UHFFFAOYSA-N 434.875 5.883 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cc(Cl)ccc1OCc1ccc(C)cc1 2322926597 NMYXTSGRTRJVME-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1OCc1ccc(Cl)cc1 2323259634 KPFOMBFXYHJERM-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE CCOc1c(OC)ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)c1Br 2323303104 IOUTZJIIFWKUDP-UHFFFAOYSA-N 431.370 6.358 30 10 IKEE O=C(C=Cc1cccc([N+](=O)[O-])c1)Oc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O 2323434425 SLDSHXNTJAISBI-UHFFFAOYSA-N 447.830 5.483 30 10 IKEE CCCCc1nnc(S)n1N=Cc1ccc(OCc2cccc(Cl)c2)c(OCC)c1 2323499423 FQWYCZPEQQJDTB-UHFFFAOYSA-N 444.988 5.423 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(CCCC)cc2)cc(OC)c1OCc1ccccc1 2323556469 KZRJGFZFOQITJW-UHFFFAOYSA-N 440.583 7.241 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OCc3ccccc3C)c(OC)c2)cc1C 2323557583 DCJJEQBCHOEZGG-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE CCCCC(=O)Oc1ccc2c(c1C)OC(=Cc1cc(Br)ccc1OC)C2=O 2323744311 QSDMCQJNIMITOC-UHFFFAOYSA-N 445.309 5.478 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)cc([N+](=O)[O-])c1OCc1ccccc1 2323791620 IQHQFRNAAWQJIS-UHFFFAOYSA-N 437.879 6.122 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)c1 2323802749 IEHDOCFXBRUQFM-UHFFFAOYSA-N 445.427 5.137 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1ccc2c(c1)OC(=Cc1ccc(OC)cc1)C2=O 2325092333 UESJMBMOPZKLSZ-JOCHJYFZSA-N 438.520 5.592 30 10 IKEE CCCCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(F)cc1 2325530251 BIHSUIGBGCKDRE-UHFFFAOYSA-N 437.371 6.241 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1OC(=O)Cc1ccccc1 2325708125 VSTOBADDBOTPJY-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccccc3Cl)c2)cc1OC 2325717547 IWNXBHBDCWMWBR-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccc(Cl)cc2)C3=O)cc1C 2325738822 NDOSOHZXHTXRJU-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE C=CCSc1nnc(CCc2ccc(OCC)c(OC)c2)n1N=Cc1sccc1C 2325893404 MNDZNBWAOPTVOV-UHFFFAOYSA-N 442.610 5.001 30 10 IKEE C=CCCN(Cc1ccccc1)C1(C(=O)O)CC2(CCC(NC(=O)OC(C)(C)C)CC2)C1 2326072977 PDWWFRNZNZBNFC-UHFFFAOYSA-N 442.600 5.136 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cc(Cl)c(O)c(Cl)c1O 2326350315 XQRLIJODNLTTBI-UHFFFAOYSA-N 443.743 5.132 30 10 IKEE CCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1cccc(Br)c1 2326442637 QZFUJYOSCMGTSD-UHFFFAOYSA-N 429.387 5.394 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1cc(C)ccc1O 2327363667 TVSXWWGALWYDJX-UHFFFAOYSA-N 436.581 5.374 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCCc2ccccc2)n1N=Cc1cccn1C 2328558611 YQMNJJVPDRBJBK-UHFFFAOYSA-N 445.592 5.029 30 10 IKEE Cc1ccc(CSc2nnc(COCc3ccccc3)n2N=Cc2ccccc2)cc1 2329302623 IYEINJPXUQRIOF-UHFFFAOYSA-N 428.561 5.478 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(OC)c(OC)c1 2329566819 GHGWDONTQBRGSK-UHFFFAOYSA-N 428.945 5.166 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2-c2ccccc2)cc1 2330624137 WHLWEHYBSPBFIG-UHFFFAOYSA-N 428.561 5.827 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1cccc(F)c1 2330705105 YOSSKZNWBLRJOW-UHFFFAOYSA-N 430.475 5.828 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)cc3F)c(Cl)c2)c1 2330778253 KFAGXOSTIJKJQJ-UHFFFAOYSA-N 442.845 5.671 30 10 IKEE Oc1ccccc1C=Nn1c(SCc2ccc(Cl)c(Cl)c2)nnc1[C@H]1CCCO1 2330994598 XGIHYSLKXZJYCF-GOSISDBHSA-N 449.363 5.317 30 10 IKEE O=[N+]([O-])c1cccc(C=Nn2c(SCc3ccccc3Cl)nnc2C(F)(F)F)c1 2331138377 YENPXMYIRKAHRA-UHFFFAOYSA-N 441.822 5.033 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccco3)n2N=Cc2c(F)cccc2Cl)cc1 2331167977 AOKRPFGWBKESBH-UHFFFAOYSA-N 426.904 5.814 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)c1cccc(C)c1 2331225646 HQRGAZZDSDJCHM-UHFFFAOYSA-N 448.946 6.779 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccccc3Cl)c(Cl)c2)c1 2331319784 KGBNGCTYCTZKLJ-UHFFFAOYSA-N 425.311 6.726 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)CCCSC 2331331993 SLIAFSBDWMNTHQ-UHFFFAOYSA-N 436.932 5.741 30 10 IKEE C=CCSc1nnc(CCCC)n1N=Cc1ccc(OCCCCC)c(OCC)c1 2331342857 BHXBZWPZNHHJQK-UHFFFAOYSA-N 430.618 5.749 30 10 IKEE CCCCc1nnc(SCc2nc(O)c3ccccc3n2)n1N=Cc1ccc(CC)cc1 2331344723 HWGLKYMWYANGNI-UHFFFAOYSA-N 446.580 5.006 30 10 IKEE Cc1cccc(C=Nn2c(SCC(=O)Nc3cccc(C)c3C)nnc2C(C)(C)C)c1 2331364669 NQQILAKTDQHENP-UHFFFAOYSA-N 435.597 5.114 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc(Cl)ccc3Cl)cc2)cc1 2331491751 JSLGMONZQCPPGI-UHFFFAOYSA-N 439.338 7.232 30 10 IKEE COCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccccc1OC(C)C 2331595403 HRAUMCZFMGCHBU-UHFFFAOYSA-N 430.961 5.040 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)CC(C)(C)C)c(Br)c2)cc1C 2331706761 XQWBYHYDPPPBDD-UHFFFAOYSA-N 429.354 6.304 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)CCCCCC 2331712766 GVCFQNRMXXVQOV-UHFFFAOYSA-N 434.576 6.812 30 10 IKEE Cc1cccc(CSc2nnc(C3CC3)n2N=Cc2ccc(Br)cc2)c1 2331730989 CWHGIPZZCHSCJB-UHFFFAOYSA-N 427.371 5.401 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1 2331859863 YFHUJURQOYANIG-UHFFFAOYSA-N 433.375 7.546 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C2CC2)c(Br)c1)c1cc(Cl)ccc1Cl 2331860620 LRAQIDJCHCNTEC-UHFFFAOYSA-N 440.120 5.967 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)c1sccc1C 2331864148 LXIKJRPFACEPFS-UHFFFAOYSA-N 447.339 6.487 30 10 IKEE C=CCC(CC=C)[C@@H](NC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2364000173 XZMFFWPTFUSHRR-WOJBJXKFSA-N 437.422 5.241 30 10 IKEE COc1cccc2c(C)cc(-n3ncc(C#N)c3NC(=O)c3ccc(C(C)(C)C)cc3)nc12 12289417 PKLZDMJVBYWIAI-UHFFFAOYSA-N 439.519 5.159 30 10 IKEE CSc1ccc([C@@H]2[C@@H](C(=O)C(C)(C)C)N3C=Cc4ccccc4[C@@H]3C2(C#N)C#N)cc1 16037488 LHQXQIFPZWYZJA-XPWALMASSA-N 427.573 5.551 30 10 IKEE COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccco2)ccc1OC(C)C 21254552 OUGXTMRYONZUPX-XRHLQHRESA-N 444.531 6.055 30 10 IKEE CCOc1ccccc1[C@H]1C2=C(C[C@@H](c3ccc(OC)cc3)CC2=O)Nc2onc(C)c21 28052422 YMVQRNONNZPEBD-MZNJEOGPSA-N 430.504 5.349 30 10 IKEE COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccc(F)cc2)cc1OC 28052543 IOCYXWBLZAIPPU-QMHKHESXSA-N 434.467 5.098 30 10 IKEE C=CCc1ccc(OCC(=O)Nc2c(-c3ccccc3)nc3c(C)cccn23)c(OC)c1 39515148 VPYYYEGMTXSYFU-UHFFFAOYSA-N 427.504 5.064 30 10 IKEE C=CCc1ccc(OCCCn2c([C@@H](C)Oc3ccccc3)nc3ccccc32)c(OC)c1 40236219 HPEJODFCOBYOOP-OAQYLSRUSA-N 442.559 6.383 30 10 IKEE Cc1cc(OC(=O)c2ccc(C(C)(C)C)cc2)cc2c1C(=O)/C(=C/c1cccc(F)c1)O2 41288612 GBGBSQAWZXBHHG-UCQKPKSFSA-N 430.475 6.267 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1cccc(F)c1)C3=O)CN(CCc1ccc(F)cc1)CO2 41587666 QTNBJPMATKUDNP-FMCGGJTJSA-N 433.454 5.284 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc4c3CN(CCc3ccc(OC)cc3)CO4)C2=O)cc1 41658887 KHPQTOMDMQXZAV-QQXSKIMKSA-N 441.527 5.268 30 10 IKEE Cc1ccccc1NC(=O)c1cnn2c1NC1=C(C(=O)CCC1)[C@@H]2c1ccccc1Cl 64874255 OUOHNIRUWMXYLR-QFIPXVFZSA-N 432.911 5.119 30 10 IKEE CC/N=C1\S/C(=C/c2c(OCc3ccccc3C#N)ccc3ccccc23)C(=O)N1CC 96793088 OUIYCYOKXUBCCD-YNTCVYINSA-N 441.556 5.603 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 100351607 VHNLTAOOLJKMRA-RLSLOFABSA-N 440.971 7.424 30 10 IKEE O=[N+]([O-])c1ccc(-c2ccc(-c3nn(-c4ccccc4)cc3/C=N\Cc3ccccc3)o2)cc1 105477551 UAMJGMFGFWOJIY-VEILYXNESA-N 448.482 6.327 30 10 IKEE CCCCCCCCCCCCC(CCCCCCCCCCCC)(C(=O)O)C(=O)O 113625904 LEDUFKXNAKZDPZ-UHFFFAOYSA-N 440.709 8.764 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccc(F)cc2)cc1 169922037 RLZWRGAMFRCOPT-QHCPKHFHSA-N 443.430 5.363 30 10 IKEE COc1cc(/C=N\Nc2nc(-c3ccccc3)c(C)s2)ccc1OCc1ccc(C)cc1 169940780 DPDIUSRDULMXHS-YUMHPJSZSA-N 443.572 6.461 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1c1ccc(C)c(C)c1 169943183 HDURLEJQEMTQQM-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccc(O)cc1)c1cc2ccccc2o1 169958511 WNPGKRAJFGBGCY-QFIPXVFZSA-N 447.393 5.200 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccc(O)cc1 169961391 OZFREAPSJDZURL-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2cccc(C)c2)c1 169969800 XGLRKMKKKHHXLC-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@H]2c2ccncc2)c1 170017033 JZQUCMJBDSBVQV-DEOSSOPVSA-N 440.543 5.779 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccccc2)c1 170036314 BPMWRQCQTJFQCC-DEOSSOPVSA-N 427.500 5.485 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccc(F)cc2)cc1C 170062464 MUDGOVWUQKCLFV-HSZRJFAPSA-N 433.454 5.673 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2c[nH]c3ccccc23)c1 170074787 OYWZSCABCXPUEO-DEOSSOPVSA-N 438.483 5.273 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1c1ccc(F)c(F)c1 170105443 PKHUJFZVMMJVCJ-SFHVURJKSA-N 445.874 5.771 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccs2)cc1C(C)C 170163465 PBEZTECJBVJEDS-JOCHJYFZSA-N 448.544 5.054 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@H]1c1ccncc1 170205350 YXDZUIGHFLOYQL-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(F)cc2)cc1Cl 170242269 UTBLBIXEFXSQPK-NRFANRHFSA-N 443.902 5.399 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1c[nH]c2ccccc12)c1ccc(Cl)cc1 170254259 NWLJPCVEFCHJEB-JOCHJYFZSA-N 428.875 5.604 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(CCOC(C)C)[C@H]1c1ccccc1C 170270602 VMSSZTIMUTXNDE-DEOSSOPVSA-N 449.591 5.604 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccco2)c1 170282623 FPGGQUHQJGZKBS-XMMPIXPASA-N 427.500 5.558 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccco2)cc1C 170285140 BTXUKBUZDQSCKA-QHCPKHFHSA-N 431.488 5.305 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccc(C)o2)cc1 170303772 MUZBDYPZPZEDQT-DEOSSOPVSA-N 427.500 5.558 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(OC)c(O)c1 170322543 KDVXUFOSEWDEKV-XMMPIXPASA-N 445.515 5.323 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(OCC(C)C)cc2)cc1 170350396 UDMYYHVMOZKTBW-QHCPKHFHSA-N 431.488 5.406 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C(C)C)cc2)cc1 170378590 AYBHUNSQPNPVBJ-SANMLTNESA-N 439.555 6.716 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(OC)c2)c1 170409384 SXGQJTRQKMZHDS-XMMPIXPASA-N 443.499 5.267 30 10 IKEE CCCCCCCCNC(=O)c1c(-c2ccccc2)c(-c2ccccc2)nn(CC)c1=O 170561960 UZRQIJBSXFENLK-UHFFFAOYSA-N 431.580 5.688 30 10 IKEE CCCCCCCCc1ccc(-c2ccc(C(=O)Oc3ccc(CCC)c(F)c3)cc2)cc1 205116054 HZTDXGJCTGOETR-UHFFFAOYSA-N 446.606 8.567 30 10 IKEE CCOc1ccc2c(c1)O/C(=C/c1ccccc1OC(=O)c1ccc(C(C)(C)C)cc1)C2=O 210087934 XMAWGHPNEFBNAU-PCLIKHOPSA-N 442.511 6.218 30 10 IKEE Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C=NNc1nc2ccccc2[nH]1 254341960 RZGOUQKUKHSENN-UHFFFAOYSA-N 426.455 5.434 30 10 IKEE COc1ccc(COc2cccc(OCc3ccccc3)c2)cc1B1OC(C)(C)C(C)(C)O1 399170248 NXPDOLBAKZKGPC-UHFFFAOYSA-N 446.352 5.152 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3ccc(Cl)c(Cl)c3)[C@@H]2c2ccc(F)cc2)c1 526521232 LJXLUAMRKHBHRP-NRFANRHFSA-N 439.273 6.061 30 10 IKEE Cc1ccc([C@@H]2C(c3cccc(OCC(C)C)c3)=C(O)C(=O)N2c2ccccc2C#N)o1 526606426 YRXUPZNTIDJURL-XMMPIXPASA-N 428.488 5.552 30 10 IKEE CCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccc(OC)c(OC(C)C)c1 526812063 YICDLGRIJHFLEN-CFRMEGHHSA-N 444.988 5.464 30 10 IKEE Oc1ccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccccc2Cl)cc1 526816613 FPYVEKGBBYKQAL-QQXSKIMKSA-N 448.979 5.597 30 10 IKEE Oc1ccccc1/C=N\n1c(CCc2ccccc2)nnc1SCc1cccc(F)c1 526825210 AFWBSADYPCVIMY-QQXSKIMKSA-N 432.524 5.083 30 10 IKEE Cc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2ccc(Br)cc2)cc1 586199080 JFIDLKJYQCBBLZ-UHFFFAOYSA-N 441.350 5.025 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@H](C)C1 698442481 MRXFEXAEKFTGHY-MZNJEOGPSA-N 445.560 5.118 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(C(=O)O)cc2)SC1=Nc1nc(-c2ccccc2)cs1 1772733385 BBJQKPLPMYIUGN-GKJKXNJGSA-N 447.541 5.298 30 10 IKEE FC(F)(F)c1cccc(-c2c(C(F)(F)F)cc(C(F)(F)F)cc2C(F)(F)F)c1 1848368793 FDBZLZFXVITJAR-UHFFFAOYSA-N 426.200 7.429 30 10 IKEE CCCCCCCCN1C(=O)/C(=C\c2c(Cl)nc3scc(C)n23)SC1=S 1858586704 HKDNPIURFDLVHB-GXDHUFHOSA-N 428.048 5.919 30 10 IKEE COc1cccc(-c2cc(C(=O)Nc3ccccc3C#N)nn2Cc2ccc(Cl)cc2)c1 1859404322 SYDFQRXZSPALBL-UHFFFAOYSA-N 442.906 5.384 30 10 IKEE COc1cccc(/C=C/C(=O)Nc2ccc(Cl)c(NC(=O)c3cccc(C#N)c3)c2)c1 1860456221 KSFOCRSBXOTZLZ-DHZHZOJOSA-N 431.879 5.124 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)c1cc(Cl)ccc1OC 1861539248 MFTZJHARBYUZAL-OAQYLSRUSA-N 439.040 5.894 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2nc[nH]c2c1 1861751799 BWIRZUTXRLEZOB-VWLOTQADSA-N 448.611 5.161 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(N(C)C)cc1 1862380924 NYVARJMLMXVDPK-FQEVSTJZSA-N 447.362 5.438 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2cccc(C)c2)cc1 1862390286 ZNZSNHVPZONXKH-AREMUKBSSA-N 445.603 6.639 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccccc2C)cc1C 1862400426 DRPMDCVUYDJMSB-DEOSSOPVSA-N 445.490 5.230 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862412439 DSHMFEQDTDNGQD-QHCPKHFHSA-N 439.502 5.964 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@@H]2c2cccc(C)c2)c1 1862429817 VVEGHFDMHPOPNO-QHCPKHFHSA-N 431.919 5.735 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccco2)cc1 1862434954 KVLOARDFFRNOPO-JOCHJYFZSA-N 449.934 6.009 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(C)cc1 1862442141 PQDCLODPHRPUQL-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccccc2F)cc1 1862444246 YXPIFFKJEURFDQ-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(F)cc1 1862457217 LBQPXDFZZLUJCG-HXUWFJFHSA-N 435.417 5.402 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(CC)cc1 1862473462 BLKSDWNFMCOUJF-DEOSSOPVSA-N 435.564 5.343 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccccc2Cl)c1 1862490782 DJUVITIQKLZYMC-AMHTUMDSSA-N 437.967 6.114 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCC(C)C)cc1 1862496487 LKZBLCPRAFSXFB-VWLOTQADSA-N 448.607 5.774 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCC(C)C)cc1 1862496610 NVBXJWVHCBKUAS-RUZDIDTESA-N 449.591 6.107 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(OCC)c1 1862582461 FGXMILJKONLCBM-LJQANCHMSA-N 432.303 5.156 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccc(Cl)cc1)c1cccc(O)c1 1862591775 NLZRQUXUQPMHOI-OAQYLSRUSA-N 425.912 5.347 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccc(C)c1 1862660696 OXVNKHNYPFLOMR-RUZDIDTESA-N 449.591 5.904 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(OC)cc1 1862664136 WMELWYOALTXJHG-XMMPIXPASA-N 435.564 5.977 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@@H]2c2ccc(C)cc2)cc1 1862688231 VDKLKNMCVMTZNU-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2C2CCCCC2)cc1 1862739013 OKUDARCKXHLLQU-QHCPKHFHSA-N 448.519 5.629 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(Cl)cc3)C2=O)cc1Cl 1862795947 YVNACKVSHMHMBI-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE CCCCc1ccc(NC2=C(c3cccs3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1863112454 DYBVOYMPERVLMS-UHFFFAOYSA-N 427.529 5.359 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(C)cc2)C1=O 1863277318 ZGKUYGSAAFCWNW-UHFFFAOYSA-N 443.591 6.199 30 10 IKEE CCCCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CCC)[C@@H]1c1ccco1 1864456986 CFKGYHNLEJEHPB-NRFANRHFSA-N 442.604 5.146 30 10 IKEE COc1ccc2c(c1)C[C@@H](C)CN2c1cc(Nc2ccc(C#N)cc2)nc(-c2cccnc2)n1 1868576586 WLSLAFCQQZTLTF-GOSISDBHSA-N 448.530 5.493 30 10 IKEE C=CCn1cc(OCCCCOc2ccc(C)cc2)c(=O)cc1CN(CCC)CCCC 1870320193 NKZZTEWTXXVZBF-UHFFFAOYSA-N 440.628 5.593 30 10 IKEE C=CCOc1cn(CCc2ccc(F)cc2)c(CNc2cc(Cl)cc(Cl)c2)cc1=O 1870809817 XFKBWMBDAGGZOV-UHFFFAOYSA-N 447.337 5.714 30 10 IKEE CCCCCCCOc1cn(CCCCC)c(CNc2ccc(OC)c(OC)c2)cc1=O 1870837625 PMZIEBJYQPQRGJ-UHFFFAOYSA-N 444.616 6.017 30 10 IKEE CCCCCCCCCCn1cc(OC)c(=O)cc1CNc1ccc(CC)c([N+](=O)[O-])c1 1870999898 MEYMPEPPENSHLO-UHFFFAOYSA-N 443.588 6.080 30 10 IKEE CCCCCCCCCCn1cc(OCCCC)c(=O)cc1CNc1ccc(C)cc1C 1871112850 WUGDMQUKYMWBDD-UHFFFAOYSA-N 440.672 7.397 30 10 IKEE C=CCn1cc(OCCCOc2cccc(C)c2)c(=O)cc1CNc1ccc(C)cc1C 1871220350 ZYRFGWQPQATJAP-UHFFFAOYSA-N 432.564 5.420 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O3)CN(CCc1cnc[nH]1)CO2 1871347269 LCEHCRIWQDTHIT-FMCGGJTJSA-N 443.547 5.026 30 10 IKEE COc1ccccc1/C=C1\Oc2c(ccc3c2CN(CCc2ccc(C)cc2)CO3)C1=O 1871348164 VLPFUMDCYNGUJW-MYYYXRDXSA-N 427.500 5.014 30 10 IKEE O=C(Cc1ccc(Cl)c(Cl)c1)Oc1ccc2c(c1)O/C(=C\c1ccncc1)C2=O 1871377169 YDLCXEVVKMJJGN-JMIUGGIZSA-N 426.255 5.153 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccccc4)cc(C)c3C2=O)c2ccccc21 1871385492 VZHCKRFJQBCSJS-ICKQOYFMSA-N 449.506 6.205 30 10 IKEE Cc1cc(O)c(CN2C[C@@H](C)C[C@H](C)C2)c2c1C(=O)/C(=C/c1c(F)cccc1Cl)O2 1871396791 VTIJSDRIDLNVCP-OZYOTALKSA-N 429.919 5.587 30 10 IKEE CCCOC(=O)[C@@H](CC)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 1871432754 FWZXRZWQVIJKLX-HDOAHBKWSA-N 449.330 6.029 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4cccc(C)c4C)c3C)C2=O)cc1 1871459679 XIZBVQRIFCISHX-OYKKKHCWSA-N 427.500 5.554 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(O)cc2)[nH]c(N2CCCCC2)n1 1871718604 MBZBAGQTBGAZPL-UHFFFAOYSA-N 426.609 5.286 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)C(C)C)S(=O)(=O)c1ccccc1 1872013486 GOIXAXPGORZINY-HSZRJFAPSA-N 442.625 5.214 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(OC(C)C)cc3)n2)cc1OC 1872761245 JEKCJOZJAPGFOF-IBGZPJMESA-N 436.533 5.033 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)[C@H](C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872763511 NVLFPCLJAOILBL-LBPRGKRZSA-N 448.287 5.524 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)c2ccc(F)c(F)c2F)n1 1872786721 QJXCYBOFCIPJCV-ZDUSSCGKSA-N 436.842 5.688 30 10 IKEE N#C[C@H](C(=O)CCCOc1ccccc1)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872787287 GHYCJLSTJYTKGW-QGZVFWFLSA-N 431.344 6.152 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1cc(Cl)ccc1C)n2CC(C)C 1873657114 YPWZTSNIABPAAW-UHFFFAOYSA-N 437.975 5.480 30 10 IKEE C=CCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccccc1C(=O)O 1874234058 OZQPGWXJVQTGPK-YZSQISJMSA-N 442.544 5.075 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2C)n1/N=C/c1ccc(OCCCC)cc1 1874362616 NOBQCNPSBCGFLS-OVVQPSECSA-N 448.636 6.101 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(F)cc1 1874364436 COGDMTONIDANEG-VULFUBBASA-N 436.943 6.221 30 10 IKEE CCOc1ccc(/C=N/n2c(SCC)nnc2-c2ccccc2Cl)cc1OCC 1874366725 QOTRYKZTPCPMAJ-OEAKJJBVSA-N 430.961 5.390 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccccc3)n2/N=C/c2cc(C)ccc2O)c1 1874384019 ULHGYXNQKBTCIH-CVKSISIWSA-N 444.560 5.354 30 10 IKEE COc1cc(/C=N/n2c(SC)nnc2-c2cccs2)ccc1OCc1ccccc1 1874420191 FZEWZAVYWOMUCT-OEAKJJBVSA-N 436.562 5.198 30 10 IKEE CSc1nnc(-c2cccs2)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874420288 ZFBOTVHAQYFBPI-YDZHTSKRSA-N 440.981 5.843 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2-c2ccccc2)c1 1874429463 KUQIVHWLWSQPHD-MFKUBSTISA-N 434.952 5.782 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C2CCCC2)cc1 1874458171 ZRBVWZSZEJTCHB-DHRITJCHSA-N 445.419 6.725 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1/N=C/c1c(OC)ccc2ccccc12 1874477804 IIVFVNBFZTYRPJ-WPWMEQJKSA-N 444.604 6.265 30 10 IKEE COC(=O)c1ccc(/C=N/n2c(CC(C)C)nnc2SCc2cc(C)ccc2C)cc1 1874490431 QDZLEZDJWUUKGX-AFUMVMLFSA-N 436.581 5.055 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2cccc3ccccc23)nnc1C1CCC1 1874496347 HPGWIWCMUARGEJ-WGOQTCKBSA-N 428.561 5.882 30 10 IKEE COCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874500527 SADGMARKPWEZLH-LSFURLLWSA-N 425.316 5.045 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1cccc(Cl)c1 1874508844 YKYKLCXDDRKGFR-FOKLQQMPSA-N 439.799 6.365 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(Br)cc2)c1OCc1ccccc1C 1874574302 GHXDBYNPBNGWRE-NTCAYCPXSA-N 437.333 6.241 30 10 IKEE Cc1ccc(C(=O)/C=C/c2c(OCC(=O)Nc3nccs3)ccc3ccccc23)c(C)c1 1874579133 YKTPFNZXNRHGPL-ZHACJKMWSA-N 442.540 5.827 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1OCc1ccc([N+](=O)[O-])cc1 1874596881 HUVDAFRAVMVDMB-YRNVUSSQSA-N 433.460 5.396 30 10 IKEE O=C(/C=C/c1ccc(OCc2c(F)cccc2Cl)cc1)c1cccc(Br)c1 1874610066 YYDLIRRDKDPASS-FMIVXFBMSA-N 445.715 6.717 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2OCC)o1 1874617451 BSNBWYWMZCOZPQ-XYOKQWHBSA-N 448.515 5.947 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccccc1F 1874633077 LBRFRKPZRWKOFT-FMIVXFBMSA-N 433.479 5.365 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCc3ccc(Cl)cc3)c2)cc1 1874701182 GAUBJKZZAVCLOB-LZYBPNLTSA-N 434.919 6.173 30 10 IKEE O=C(Oc1cccc(/C=C/C(=O)c2cccc3ccccc23)c1)c1ccc(Cl)c(Cl)c1 1874708133 NYSRRHRNOWMGRK-SDNWHVSQSA-N 447.317 7.262 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)c2sccc2C)c1 1874715553 URIRRUVAXAHFOK-BQYQJAHWSA-N 426.921 6.142 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)[C@H]3C[C@H]3c3ccccc3Cl)cc2)c1 1875102941 SYMJNQKVSGPMFR-FZRYCFGWSA-N 432.903 5.954 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3OC)c(OC)c2)cc1 1875115067 LDSCJDXRJAVHDB-OVCLIPMQSA-N 446.499 5.147 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)cc3F)c(OC)c2)cc1 1875115096 MAWNNVJNXDFVNR-QDEBKDIKSA-N 438.426 5.026 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1sccc1C 1875125724 XADGAYGTPAVEMX-ONNFQVAWSA-N 426.921 6.224 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3cccc(C)c3C)cc2)cc1 1875129872 XZTUBHZMQCIFKW-LICLKQGHSA-N 430.500 5.583 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)Cc1ccccc1Cl 1875133767 JPFTYOFFBISPNZ-JLHYYAGUSA-N 448.946 6.400 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1[N+](=O)[O-] 1875134613 BGFISRZWVJTVPZ-NTCAYCPXSA-N 437.536 6.764 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(C)c3)cc2OCC)cc1 1875142344 WSJDWWCRJDUZNR-MKMNVTDBSA-N 448.490 6.047 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(Br)c(OC(=O)C(C)C)c(OC)c1 1875145238 HTUDSYCWTUYGDX-BQYQJAHWSA-N 447.325 5.232 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)Cc1ccccc1F 1875150327 HPABURISWMAATI-OQLLNIDSSA-N 446.518 6.176 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3ccccn3)c(OC)c2)cc1F 1875152029 FIYSIFJTNZOHOP-SOFGYWHQSA-N 441.842 5.007 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC(C)C)c(Br)c2)c(C)c1C 1875166685 DTOBZGFIEXKJJR-RMKNXTFCSA-N 445.353 5.922 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)CCc1ccc(Cl)cc1 1875179043 QDFDOWQWCVWMAI-NTUHNPAUSA-N 448.946 6.400 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)CC(C)(C)C)c(Cl)c1 1875181223 VBTHSLGSXDSITP-SOFGYWHQSA-N 435.347 6.548 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc1 1875190215 JGQJKXBDQCZDSL-CAPFRKAQSA-N 444.571 7.401 30 10 IKEE C=CCC[C@H](C)[C@@H](NC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875653543 ZPWNAOWZSGHDKY-GJDOKZOISA-N 445.603 6.068 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC[C@@](C#N)(N(Cc3ccccc3)C(=O)OC(C)(C)C)C2)C1 1888647094 NGDAAUQDIHVUCL-RUZDIDTESA-N 441.572 5.107 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@@H](C#N)c1c(Cl)cccc1Br 1912156569 MSWVPUCWWXQXDT-ZDUSSCGKSA-N 428.718 5.605 30 10 IKEE CCCCCCCCCCCC[C@H](N)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 1915237573 ILFVEGNVXOCXMO-SANMLTNESA-N 446.720 7.842 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NC)c1cc(Br)c(Br)s1 1922116183 OCPMTWWQSFWYGN-OAHLLOKOSA-N 431.193 5.307 30 10 IKEE CCCCCCCCC[C@@H](NCC)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1946541500 QVTYWNZEPADIDB-DNQXCXABSA-N 434.665 6.215 30 10 IKEE CC[C@H]1CC[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)CN1C(=O)OC(C)(C)C 1996583786 UPTWTDORAUWSOZ-SBUREZEXSA-N 449.617 5.557 30 10 IKEE CCCCCCCCC[C@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCC 2035465412 QEIANOJLWVYZNU-RPBOFIJWSA-N 448.692 6.605 30 10 IKEE C=CCN(C[C@H](Cc1cc(Br)ccc1Cl)NCC)C(=O)OC(C)(C)C 2047969268 ZLEYOBWRWKMAKY-INIZCTEOSA-N 431.802 5.046 30 10 IKEE C[C@@H](c1cccs1)N(Cc1ccccc1)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2052553865 MTDFTGJVAYTSCT-KRWDZBQOSA-N 438.377 5.349 30 10 IKEE C=CCCCC[C@@H](N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071357765 RKVHFBQVRPTXQG-NAKRPHOHSA-N 431.576 5.952 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C12CCCC2 2072186509 WKZFSTQHMHPDKI-DEOSSOPVSA-N 445.535 5.393 30 10 IKEE Fc1cccc(C(F)(F)F)c1-c1c(C(F)(F)F)nn([C@@H]2CCOC2)c1Br 2080761589 LHHZKQQJJGBBMH-SSDOTTSWSA-N 447.148 5.451 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(C)c1Br)NCCC 2144180020 ILGMEPLYYHRIAX-OALUTQOASA-N 439.438 5.528 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)cc(Br)cc1F 2159120550 IUHDRTZKIRKLKO-AEFFLSMTSA-N 445.348 5.075 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)COC2(CCCCC2)C1 2179044112 QLDXJZDYODALEJ-HXUWFJFHSA-N 435.362 5.576 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](Cc2cc(F)ccc2Br)NCCC)C1 2197757946 YAHVTLYFOLOPPD-SFHVURJKSA-N 441.385 5.112 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)C1(C#N)CC2(C[C@@H]2C(F)(F)F)C1 2205157818 LQOYYQWEEROSLP-NNGSBXSVSA-N 445.279 5.815 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)C1(C#N)CC2(C[C@H]2C(F)(F)F)C1 2205157819 LQOYYQWEEROSLP-RWBZWWBESA-N 445.279 5.815 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Br)cc1Cl 2222745771 YSGPMRFGPJMNCJ-IAGOWNOFSA-N 429.786 5.060 30 10 IKEE CCCc1ccc(C#CC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)cc1 2223309742 FKTATHGFKQZVMQ-CPJSRVTESA-N 435.564 5.058 30 10 IKEE C=CCCCC[C@@H](NC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2229110008 PFCRYXZIBWNGTJ-MOPGFXCFSA-N 425.411 5.219 30 10 IKEE CN[C@H](C#Cc1ccccc1F)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2281363929 PDQZONBHGQYZNX-GOSISDBHSA-N 433.321 5.247 30 10 IKEE C[C@@H]1CCCN(c2c(Br)cccc2C#N)[C@@H]1CCCNC(=O)OC(C)(C)C 2285184162 ITDYJRMMECVRHV-CRAIPNDOSA-N 436.394 5.231 30 10 IKEE O=C1C(=Cc2cc(Br)c(O)c(Br)c2)Oc2ccc3ccccc3c21 2295033415 BPLTWHNGQDLUEV-UHFFFAOYSA-N 446.094 5.687 30 10 IKEE CCN1C(=O)C(=Cc2cc(Cl)c(O)c(Cl)c2)SC1=Nc1ccc(C(=O)O)cc1 2296038080 MFPBQMSYTNYJED-UHFFFAOYSA-N 437.304 5.021 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)C1(NC(=O)OC(C)(C)C)CCCC1 2296218437 DTTGLOAHFKOKGX-IBGZPJMESA-N 435.406 5.006 30 10 IKEE COc1ccc(NC(=O)OC(C)(C)C)c(C(=O)C#Cc2cccc(Br)c2)c1 2296230505 UNPUAGHQYGZNAL-UHFFFAOYSA-N 430.298 5.039 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C 2296267102 PISPXZMEFAHLST-RTBURBONSA-N 437.422 5.108 30 10 IKEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C 2296279405 OMECJJIJIORQCT-RTBURBONSA-N 437.422 5.060 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@H](NC(=O)OC(C)(C)C)[C@H](C)CC 2296298147 HIPOVXGZYULYQA-LSTHTHJFSA-N 437.422 5.108 30 10 IKEE ON=Cc1cc(Br)cc(Br)c1OCc1c(F)cccc1Cl 2296474443 UPKKWALQSUBQJU-UHFFFAOYSA-N 437.490 5.391 30 10 IKEE COc1cccc(C=C2SC(=Nc3ccc(Cl)cc3C(F)(F)F)NC2=O)c1OC 2296882330 PFLQXVZPPGZHEZ-UHFFFAOYSA-N 442.846 5.268 30 10 IKEE C=CCN1C(=O)C(=C2Sc3ccccc3N2C)SC1=Nc1ccc2ncccc2c1 2297550107 UPCHTFZTFAPMCZ-UHFFFAOYSA-N 430.558 5.395 30 10 IKEE CCOc1ccc(Br)c(C=C2N=C(SCc3ccccc3)SC2=O)c1 2297620110 MLKALOKQZRDVPS-UHFFFAOYSA-N 434.380 5.752 30 10 IKEE CC(C)(C)OC(=O)NC1([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)CCCC1 2302601424 OSBFULGBSFDWBT-GOSISDBHSA-N 433.524 5.297 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)N(c1ccccc1)c1ccccc1 2314429752 NYJMLYGSXFZKQT-UHFFFAOYSA-N 449.506 6.928 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc(OCc3ccc(Cl)c(Cl)c3)c2C)C1=O 2321787424 BCUBKGZISRFZDY-UHFFFAOYSA-N 441.310 6.506 30 10 IKEE CCCNC(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccc(Cl)cc1Cl 2322388077 GXDRBXPRGQYLGE-UHFFFAOYSA-N 442.342 5.948 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1c(F)cccc1Cl)c1ccc(F)cc1F 2322501979 JQZLBRUBYZZNLB-UHFFFAOYSA-N 437.244 6.886 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(Br)c2)C3=O)cc1 2322680233 UJOPPTCLPRNRQM-UHFFFAOYSA-N 449.300 5.901 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)NC2CCCCC2)cc1 2322737778 KUEAUXQUNHZNNI-UHFFFAOYSA-N 439.983 6.187 30 10 IKEE O=C(COc1ccc2ccccc2c1C=CC(=O)c1ccc(F)cc1)Nc1ccccc1 2322748201 XNMQEDLUPAHAMR-UHFFFAOYSA-N 425.459 5.893 30 10 IKEE C=C(C)COc1ccc(Br)cc1C=CC(=O)c1cc(C)c(Cl)cc1OC 2322922820 IOBLKMFVGPCDER-UHFFFAOYSA-N 435.745 6.271 30 10 IKEE CCOC(=O)c1ccc(COc2cccc(C=CC(=O)c3ccc(Cl)c(Cl)c3)c2)o1 2323150895 VHEHXVYTDHSXAN-UHFFFAOYSA-N 445.298 6.238 30 10 IKEE CCCCCCCCNC(=O)[C@H](NC(=O)C=Cc1ccc(C(C)C)cc1)c1ccccc1 2323247431 XHGLPBSQYJOXPO-HHHXNRCGSA-N 434.624 6.157 30 10 IKEE CCOc1c(OC)ccc(C=CC(=O)c2cc(Cl)ccc2OC)c1Br 2323332125 XEWVVRAHJDUOQI-UHFFFAOYSA-N 425.706 5.415 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(CC)cc2)cc(OC)c1OCc1ccccc1C 2323482748 CTICMLNNFUHNHX-UHFFFAOYSA-N 426.556 6.770 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1OCc1ccccc1 2323511604 WSLYVLIMZJWKSX-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2Cl)cc(OC)c1OCC(=O)OCCC 2323626596 MBUPXIARLOEPRS-UHFFFAOYSA-N 428.912 5.305 30 10 IKEE COc1c(Cl)cc(C=NNc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1Cl 2323858245 WRBCUPFWTDOOME-UHFFFAOYSA-N 435.336 5.530 30 10 IKEE COc1ccccc1C=C1Oc2c(CN(Cc3ccccc3)C(C)C)c(O)cc(C)c2C1=O 2324014302 CTSIISWZWHYJDD-UHFFFAOYSA-N 443.543 5.736 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccc(C)cc1C 2324456109 WWXFAVSRFMHXNI-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE Cc1cccc(OCCCCOc2cc(C)c3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)c1 2324571095 DOPRLBFDHHJXHL-UHFFFAOYSA-N 448.946 6.811 30 10 IKEE C=CCSc1nnc(COc2cccc(C)c2C)n1N=Cc1ccccc1OCCC 2325424719 UHTJNZQVRDPXAE-UHFFFAOYSA-N 436.581 5.423 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2cccs2)cc1 2325477270 UFARFRZOVMTYDM-UHFFFAOYSA-N 435.534 5.013 30 10 IKEE CCCCCCOc1ccc(NC(=O)C(=O)C=Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1 2325631344 QPLHCUZLSDDRCE-UHFFFAOYSA-N 430.888 5.428 30 10 IKEE CCOc1ccc(C=CC(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1OCC 2325633185 SWZMKARFKCFMEQ-UHFFFAOYSA-N 441.833 5.377 30 10 IKEE CCn1cc(C=C2Oc3cc(OCc4cccc(OC)c4)cc(C)c3C2=O)c2ccccc21 2325699184 YDOIHWALNBPJOP-UHFFFAOYSA-N 439.511 6.173 30 10 IKEE COc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(F)c(C)c3)c2)cc1[N+](=O)[O-] 2325742244 ISMJMGCMSAOFRF-UHFFFAOYSA-N 435.407 5.166 30 10 IKEE CCSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1ccc(Cl)cc1 2325912112 HZVYHEGKXUHUST-UHFFFAOYSA-N 441.771 5.812 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3C)n2N=Cc2ccncc2)c(C)c1 2328880254 YWHQZSWLMXVNOG-UHFFFAOYSA-N 443.576 5.352 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3C)n2N=Cc2cccn2C)c1 2329488552 FBZALOHUOKARSA-UHFFFAOYSA-N 443.620 5.502 30 10 IKEE Cc1ccc(C=Nn2c(COc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 2329883870 RXCINSXTJVWMPH-UHFFFAOYSA-N 432.524 5.479 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(F)c3)n2N=Cc2cccc(F)c2)cc1 2329955541 YINKXLQXSCQBTJ-UHFFFAOYSA-N 434.515 5.630 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)C=Cc1ccc(Cl)cc1)[C@H](C)CC 2330377249 UJFMQIXNNWEZCN-HYBUGGRVSA-N 435.052 6.141 30 10 IKEE CCCOc1ccc(C=NNC(=S)NC2CCCCCCCCCCC2)cc1OCC 2330451553 GIVFSGRIIXIESB-UHFFFAOYSA-N 447.689 6.345 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccccc3Cl)nnc2-c2cccs2)c1 2330583996 OPHONFQNUNPZCW-UHFFFAOYSA-N 440.981 5.843 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2-c2ccccc2)cc1 2330646860 IEXQWLVDSOPUPJ-UHFFFAOYSA-N 442.588 6.217 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3cccc(OC)c3)c(OC)c2)cc1 2330770440 LFBFNUJQRYIUCQ-UHFFFAOYSA-N 444.527 5.701 30 10 IKEE CCCCCCC(=O)Oc1c(OC)cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 2331020450 JIFVULBAKPLVJD-UHFFFAOYSA-N 441.480 5.384 30 10 IKEE O=C(Cc1ccccc1F)Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1[N+](=O)[O-] 2331093029 YEFRYKBLCNVKRE-UHFFFAOYSA-N 441.361 5.056 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(Cl)c(OC(C)=O)c(OC)c2)cc1OCCC 2331108871 HGHZFFFCDGBKTC-UHFFFAOYSA-N 446.927 5.748 30 10 IKEE Cn1cc(C=Nn2c(SCCc3ccccc3)nnc2C(F)(F)F)c2ccccc21 2331141780 CFSIDMRYAYTENL-UHFFFAOYSA-N 429.471 5.006 30 10 IKEE Cn1cc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C(F)(F)F)c2ccccc21 2331156158 XEMBWNSDCAACRF-UHFFFAOYSA-N 449.889 5.617 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)COc1cccc(C)c1C 2331235041 ILNMBOBKGHPNRM-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)c(F)c3F)cc2)cc1 2331295686 RONOTWOFPFICNT-UHFFFAOYSA-N 440.417 6.008 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)c1ccccn1 2331324434 ZQTLDFYSBJTIER-UHFFFAOYSA-N 435.907 5.866 30 10 IKEE CCCCOc1ccc(C=Nn2c(CCCC)nnc2SCCc2ccccc2)cc1 2331339551 PNTZACYBVIYCJQ-UHFFFAOYSA-N 436.625 6.017 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OC(=O)CC(C)(C)C 2331410955 WJTFNTVBQRPPFL-UHFFFAOYSA-N 442.983 6.884 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2)cc1[N+](=O)[O-] 2331491561 RFEMBMMJVZJGQU-UHFFFAOYSA-N 429.472 6.142 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccs3)c(Cl)c2)c(OC)c1 2331721694 BTXJZRGCWZPFNN-UHFFFAOYSA-N 428.893 5.534 30 10 IKEE CCC(=O)Oc1c(Br)cc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OC 2331773817 HCTSLOVJXWUVMU-UHFFFAOYSA-N 431.326 5.594 30 10 IKEE O=C(COCc1ccccc1)Oc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1 2331859795 ICXAPPXXTIUWMN-UHFFFAOYSA-N 441.310 6.012 30 10 IKEE CC1(C)OB([C@@]2(C)CCN(Cc3ccc(Cl)c(Br)c3F)C2)OC1(C)C 2342477766 OPJLUBKCRPFMCH-SFHVURJKSA-N 432.570 5.300 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@H](C#N)c1c(Cl)ccc(Cl)c1Cl 2364578286 KAFWCLBZIPKNAI-OAHLLOKOSA-N 429.706 6.792 30 10 IKEE CCOC(=O)/C(=N/Nc1cc(C(F)(F)F)ccc1Cl)N1CCCc2ccccc21 3179821 UXKILMHPTUYOFV-ITYLOYPMSA-N 425.838 5.100 30 10 IKEE N#Cc1cccc(/N=c2\oc3c(Cl)cc(Cl)cc3cc2C(=O)Nc2ccccc2)c1 4424761 VZCKERGBTJQZLD-NFFVHWSESA-N 434.282 6.096 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)c2ccc(Cl)c(Cl)c2)nc2c(C)cccc12 12240562 AULDFKYXQSYYDE-UHFFFAOYSA-N 436.302 5.468 30 10 IKEE C=CCN(C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C)c1ccccc1 18244778 QHHSZZGQQBCRGQ-UHFFFAOYSA-N 441.556 5.005 30 10 IKEE C=CCn1c(CCc2ccccc2)nnc1SCCC(=O)Nc1ccc([C@H](C)CC)cc1 20829694 HYBOCXLSYVZNSK-HXUWFJFHSA-N 448.636 5.884 30 10 IKEE COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc([N+](=O)[O-])cc1 20884434 YRNZEJCDUBQTLI-MRDQGFSESA-N 441.487 5.583 30 10 IKEE CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2c(F)cccc2Cl)cc1 21247710 GJCFSJAJEYSPIH-DOTOQJQBSA-N 425.931 5.781 30 10 IKEE O=C1C[C@H](c2ccccc2Cl)CC2=C1[C@H](c1ccc(Cl)cc1)Nc1ccccc1N2 21254637 MEUOLVMOZCBCIP-CPJLOUKISA-N 435.354 6.973 30 10 IKEE CCc1ccccc1N/C(=N\C(=O)c1ccc(Cl)cc1)NCCc1c[nH]c2ccccc12 32943371 CMFKBUFUXWRHAY-UHFFFAOYSA-N 444.966 5.824 30 10 IKEE CCCn1cc(CN/C(=N/C(=O)c2cc(C)cc(C)c2)Nc2ccc(OCC)cc2)c(C)n1 32972767 TYNQCNXKLPIZIX-UHFFFAOYSA-N 447.583 5.015 30 10 IKEE O=C(Oc1ccccc1/C=C1/Sc2ccccc2C1=O)c1cccc(Br)c1 33347497 DREXLKILYVSAOE-DEDYPNTBSA-N 437.314 5.998 30 10 IKEE CCCCOc1ccc(/C=C\C(O)=N\S(=O)(=O)c2cc(C)c(C)c(C)c2)cc1OCC 33497269 WXXXZPAYPHEMDM-BENRWUELSA-N 445.581 5.548 30 10 IKEE Cc1c(C(=O)c2oc3ccc(Cl)cc3c2C)c(O)n([C@H](C)c2ccccc2)c(=O)c1C#N 38623466 QYLCRNIHQXVFDM-OAHLLOKOSA-N 446.890 5.282 30 10 IKEE C=C(C)COc1ccc(NC(=O)CNc2ccccc2OCCCc2ccccc2)cc1 66064148 JXGKRPLDMKKWPA-UHFFFAOYSA-N 430.548 5.704 30 10 IKEE O=C1/C(=C\c2ccc(O)c(Cl)c2)CN(CC(F)F)C/C1=C\c1ccc(O)c(Cl)c1 98055704 MHMKQVYLBGJCLQ-YOENDLTHSA-N 440.273 5.021 30 10 IKEE CCCCCCCOc1cccc(OCC(=O)Oc2ccc(Oc3ccccc3)cc2)c1 100973364 QERCNSVKTZMNRN-UHFFFAOYSA-N 434.532 6.813 30 10 IKEE CCCCCCCCCCCCOc1ccc(NC(=O)c2ccc(C(=O)O)cc2)cc1 101005724 GLOMUXSZWLTMHI-UHFFFAOYSA-N 425.569 6.937 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(Nc2cc(C)on2)c1N 101498971 WNNMLHAKWTUEDD-UHFFFAOYSA-N 430.641 6.992 30 10 IKEE COCCCN1C(=O)/C(=C\c2ccc(Cl)cc2)S/C1=N\CCc1ccc(Cl)cc1 102994429 IKMKXVZBYOVMAE-OHMDWXSTSA-N 449.403 5.545 30 10 IKEE CCCCCCCCCCCCCCc1ccc2nc3c(ccc4ccccc43)cc2c1 103004584 YXHGJGOWALOIGX-UHFFFAOYSA-N 425.660 9.785 30 10 IKEE CC(C)(C)/N=C1/[C@H](N2CCSCC2)C(C)(C)C(=S)N1c1cccc(C(F)(F)F)c1 105421737 VYVNJZHNYZKNOM-KHIYJPSVSA-N 443.604 5.493 30 10 IKEE COc1ccc(C(=O)/C=C\Nc2ccccc2N/C=C\C(=O)c2ccc(OC)cc2)cc1 110338448 DJMPUYATBAVWMB-IQRFGFHNSA-N 428.488 5.321 30 10 IKEE COc1ccc(N/N=C/c2cc(Br)c(OC(C)C)c(OC)c2)cc1Cl 169877468 REZVQHHHGNSCPJ-UFFVCSGVSA-N 427.726 5.353 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2cccc(OC)c2)cc1 169930179 BIJOAOSZULFULC-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3cccc(OC)c3)cs2)cc(Cl)c1OC(C)C 169940476 REOXWTLEQXHBKE-MSXFZWOLSA-N 445.972 6.104 30 10 IKEE CCOc1cc(OCC)c([N+](=O)[O-])cc1/C=N\Nc1nc(-c2ccc(F)cc2)cs1 169942581 GGFRJLINTONGBK-JJFYIABZSA-N 430.461 5.101 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)CCc2ccccc2)=C(O)C(=O)N1c1cccc(C)c1C 169944392 JARYFGPKWPLWJB-SANMLTNESA-N 441.527 5.414 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccc(O)cc2)c1 169958816 XSKRCFPZINYACD-DEOSSOPVSA-N 443.499 5.191 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1ccc(O)cc1)c1cccc(Cl)c1 169964096 IWBAKZWHZPXTFX-HXUWFJFHSA-N 441.817 5.107 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1cccs1 169985608 WNLJTBNRFXLUPB-IBGZPJMESA-N 443.883 5.332 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccccn2)cc1 169991659 DGRQRNZVOKWWMU-XMMPIXPASA-N 437.499 5.469 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(Cl)ccc2C)[C@@H]1c1cccnc1 170006289 DQNCJCLZSMLOHB-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cccc3ccccc23)c1 170044623 VNXBOWPHKALBBY-CJFMBICVSA-N 441.527 5.214 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccccc2)c1 170047869 VJQNTZHGSUQLDH-XMMPIXPASA-N 426.516 5.152 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2ccccc2)c1 170051987 OWDWRFYBGHNBFU-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2ccccc2)cc1 170053314 PQICCGOJUGNZDD-XMMPIXPASA-N 440.499 5.045 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(F)cc2)cc1 170062037 OZXLDRCQEQGJJB-QHCPKHFHSA-N 431.463 5.180 30 10 IKEE CC(C)Oc1ccc(C2=C(Sc3ccccc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170085875 INCQGDQKYSVNBR-UHFFFAOYSA-N 440.524 5.422 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@H]1c1cccc(OC)c1 170121015 WLRDFWBICUTSAG-JOCHJYFZSA-N 437.536 5.089 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1c1ccccc1 170122553 IRXBNCLQSFFTIR-VWLOTQADSA-N 435.479 5.631 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@@H]2c2ccc(O)cc2)cc1 170136818 UTUFYUYZZCORTB-HSZRJFAPSA-N 437.536 5.340 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2c2ccccc2)c1 170141797 ZWQJWCYGYVIOIT-VWLOTQADSA-N 441.527 5.874 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccccn2)c1 170172527 WIZSMXXOXSWUBP-VWLOTQADSA-N 434.495 5.635 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccncc2)cc1C 170200149 NMMDDEQSQIGUFX-HSZRJFAPSA-N 446.478 5.101 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2OCC)[C@@H]1c1ccc(F)cc1 170243202 YBCQCQSODBLISA-QFIPXVFZSA-N 441.499 5.002 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccco1 170288519 GQYQYCOVOQNNED-NRFANRHFSA-N 432.863 5.506 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccco2)cc1C(C)C 170293168 GXVIWLCRKMYGJL-QHCPKHFHSA-N 437.536 5.631 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(C)o1 170304128 IFVBCPMYUJFVGI-QFIPXVFZSA-N 429.428 5.126 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)c(Cl)c2)[C@H]1c1ccc(C)o1 170309302 CTMQIWUWVNNYGO-QGZVFWFLSA-N 438.307 5.282 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@H]1c1ccc(C)o1 170309812 PIBIPVYHPYEUEU-JOCHJYFZSA-N 439.552 5.663 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(C)o2)cc1C(C)C 170310746 KTFBORXWULZXNF-HSZRJFAPSA-N 437.536 5.631 30 10 IKEE C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CCC)c1 170324397 XSASVEKSPGXKPV-XMMPIXPASA-N 449.547 5.275 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cccc(Cl)c2)cc1 170361730 XWMNUTVHBQCXIL-FQEVSTJZSA-N 439.920 5.583 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccncc1 170379612 HECSULLJMPDNLR-LJQANCHMSA-N 443.261 5.310 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(C(C)C)cc1 170422235 JJKMTRVJUPJYJY-HSZRJFAPSA-N 431.488 5.190 30 10 IKEE CCCOC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@H]2c2cccc(C)c2)c1 170460355 IHGPXIWIPYNAJL-HSZRJFAPSA-N 435.520 5.077 30 10 IKEE Cc1ccc(Cl)cc1Nc1snc(SCC(=O)c2cccc([N+](=O)[O-])c2)c1C#N 247868754 KGQPPLUOQNGHOB-UHFFFAOYSA-N 444.925 5.603 30 10 IKEE COc1ccc(-c2nc3cc(N=Cc4ccc(-c5ccc(Cl)cc5)o4)ccc3o2)cc1 252623617 OVLXHURMZCFJIJ-UHFFFAOYSA-N 428.875 7.167 30 10 IKEE CCCCCOc1ccc(C(=O)Oc2ccc(/C=C/C=C/C=NN3CCCCC3)cc2)cc1 254304349 YVUPLOJJQTYWCI-NBXADWEJSA-N 446.591 6.516 30 10 IKEE C=C(CO)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]12 263584271 OJITVCSELYUHSE-KSPCNGIDSA-N 442.728 6.999 30 10 IKEE N#C[C@@H](CNc1ccc(I)cc1Br)C1CCCCC1 397369470 RZGISVYCCLJRDI-LBPRGKRZSA-N 433.131 5.186 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccc([N+](=O)[O-])cc2)cc1 526805252 JFRHXJAYHFPHAE-XYGWBWBKSA-N 443.532 5.260 30 10 IKEE CCc1nnc(SCc2cccc(C)c2)n1/N=C\c1cc(Br)ccc1OC 526807992 LZFVWJCCPLXTCV-UUYOSTAYSA-N 445.386 5.095 30 10 IKEE CCOc1cc(/C=N\n2cnnc2SCc2cccc(Cl)c2)ccc1OC(C)C 526812459 WPXXLHBNQILOQV-MSXFZWOLSA-N 430.961 5.292 30 10 IKEE COc1ccc(/C=N\n2c(C)nnc2SCc2c(F)cccc2Cl)cc1OC(C)C 526817585 OWRGPXIDWIHCSB-MYKKPKGFSA-N 448.951 5.349 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1cccc(OC)c1OC 526821504 VWFDMKZYRRGMPH-MYYYXRDXSA-N 432.549 5.185 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)/C=C/c3ccc(C)cc3)C2)c1 586003063 XMPNHZNGDRRRFJ-KVACCUTFSA-N 445.607 5.267 30 10 IKEE Cc1ccc(O)c(N=Cc2cc(Cc3ccccc3Cl)cc(Br)c2O)c1 725419562 ACEFYGRMJRWWIY-UHFFFAOYSA-N 430.729 6.164 30 10 IKEE CCOc1ccc(NC(=O)[C@H]2CC(=O)N(CC)C(=Nc3ccc(C)c(Cl)c3)S2)cc1 1084301904 XWCZEZWBMCIYPX-LJQANCHMSA-N 445.972 5.027 30 10 IKEE O=C1C(=NNc2ccc(Br)cc2)c2ccccc2N1Cc1ccccc1Cl 1084354760 JLGZJLAQRQVDRJ-UHFFFAOYSA-N 440.728 5.466 30 10 IKEE C=CCCCCCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1CCCCC1 1594559422 LJXUZPQJALVUDV-UHFFFAOYSA-N 434.588 5.357 30 10 IKEE COc1cccc(/C=C2\SC(=Nc3cccc(C(=O)O)c3)N(C3CCCCC3)C2=O)c1 1772735541 JPHIDVWUGNMUHK-NGZUUMTHSA-N 436.533 5.330 30 10 IKEE N#Cc1cccc(Cn2c(-c3cccnc3)nc3scc(-c4ccc(F)cc4)c3c2=O)c1 1857803763 KYITXXFCKHMXOL-UHFFFAOYSA-N 438.487 5.246 30 10 IKEE N#Cc1cccc(Cn2c(-c3c(F)cccc3F)nc3sc4c(c3c2=O)CCCC4)c1 1857805040 XOYZAWOFMXQBGV-UHFFFAOYSA-N 433.483 5.202 30 10 IKEE COc1cccc(NC(=S)N/N=C\c2cn(-c3cccc(C)c3)nc2-c2cccs2)c1 1857809730 WMGOOBMKWGLJRF-OYKKKHCWSA-N 447.589 5.238 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](C)NC(=O)/C=C/c1ccc(Cl)cc1Cl 1861552367 GGPSWKCWTXAALL-VSOYFRJCSA-N 427.416 5.768 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@@H]1c1ccccc1C 1862390217 YFJVYNFVUQLPDB-VWLOTQADSA-N 433.592 6.496 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(C(C)C)cc1 1862415081 OQPGXWJCJIHGGX-QFIPXVFZSA-N 427.491 5.713 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccccc1Cl 1862470192 HSBBDUBFBISHGN-GOSISDBHSA-N 448.744 5.337 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@H]2c2cccc(F)c2)cc1 1862473687 DZSYCEZCKKURRL-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862477131 IJMZQGNOHLEDNI-CJAUYULYSA-N 436.511 5.816 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc(C(=O)O)cc2)c1 1862493587 UBZRWYYPGBHVJA-ODOSVJCGSA-N 447.531 5.159 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(Cl)cc1Cl 1862498168 BJQLJNWIDHMDDU-VLIAUNLRSA-N 432.347 5.987 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccc(F)cc2)cc1 1862502266 VKNWXKACJNMXKY-HSZRJFAPSA-N 449.453 5.060 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2ccccc2)cc1 1862515115 PIULSWOLGQWDJX-VWLOTQADSA-N 441.527 5.562 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc(Br)c3)=C(O)C(=O)N2C2CCCC2)cc1 1862523671 MUNNRWANXLJLGU-HXUWFJFHSA-N 440.337 5.278 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(Cl)cc1 1862591667 LVFSCRAQIAOJBS-KNQAVFIVSA-N 441.955 5.983 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(F)cc2)cc1 1862617065 UMNUDWRZCMPYON-QHCPKHFHSA-N 444.506 5.297 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(Cl)cc1Cl 1862658550 RFQHMNVGOVTGCU-NRFANRHFSA-N 440.326 6.133 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(N(C)C)cc1 1862714379 JNMATGMVURUUMK-RUZDIDTESA-N 442.559 5.530 30 10 IKEE COc1ccccc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2cccc3ccccc23)C1=O 1862845940 OWTNFOQWUZBOGR-UHFFFAOYSA-N 445.478 5.117 30 10 IKEE Cc1cccc(NC2=C(c3cccc4ccccc34)C(=O)N(c3cccc(C#N)c3)C2=O)c1C 1862850260 PJIWZRCGKLWGRR-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE Cc1ccc(C2=C(Nc3ccc4ccccc4c3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1C 1862879566 VEWRCHXOINPZAQ-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(OCCC)c2)=C(c2ccc(C)cc2)C1=O 1863262709 JSQCYKDCSVYLLL-UHFFFAOYSA-N 448.607 6.336 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(CCCC)cc2)=C(c2cc(Cl)ccc2Cl)C1=O 1863383366 PKHZMKGRPURFCR-UHFFFAOYSA-N 429.347 5.714 30 10 IKEE CCC[C@@H](NC(=O)c1cccc(Oc2ccccc2)c1)C(=O)N[C@H](C#N)c1ccc(C)cc1 1867701282 UAYVDOSIKLCZMW-JWQCQUIFSA-N 441.531 5.067 30 10 IKEE COc1cc2c(cc1OC)N(c1cc(Nc3ccc(C#N)cc3)nc(C(C)(C)C)n1)CC2 1868355692 NQYQRVRZMGNOGP-UHFFFAOYSA-N 429.524 5.101 30 10 IKEE CCCc1nc(Nc2ccc(C#N)cc2)cc(N2CCC[C@@H]2Cc2ccc(Cl)cc2)n1 1868400698 APJMFTGIBQUQLE-JOCHJYFZSA-N 431.971 5.909 30 10 IKEE Cc1nc(Nc2cccc(C#N)c2)cc(N2CCC[C@@H]2Cc2ccc(Br)cc2)n1 1868466959 JVICYGXEVUFMQM-OAQYLSRUSA-N 448.368 5.374 30 10 IKEE CCCCCCCOc1cn(Cc2ccco2)c(CSc2ccc(C)cc2)cc1=O 1870251399 HTFMQOHGQWQRJR-UHFFFAOYSA-N 425.594 6.440 30 10 IKEE CCCCCCCCCCn1cc(OCc2ccc(CC)cc2)c(=O)cc1CSCC 1870270829 GJCKZFAWGZMKGD-UHFFFAOYSA-N 443.697 7.384 30 10 IKEE CCCCCCCCCCn1cc(OCCOC(C)C)c(=O)cc1CN1CCCCC1 1870548364 DICRGBPFFOVUJJ-UHFFFAOYSA-N 434.665 5.779 30 10 IKEE CCCCCCCOc1cn(Cc2cccc(C)c2)c(CNc2cccc(OC)c2)cc1=O 1870836308 VENJQSLFNOYEDH-UHFFFAOYSA-N 448.607 6.175 30 10 IKEE CCCCCCCOc1cn(Cc2ccccn2)c(CNc2ccc(Cl)cc2)cc1=O 1870837942 GGBKXYTULOUQNJ-UHFFFAOYSA-N 439.987 5.906 30 10 IKEE CCCCCCCCn1cc(OCC(=O)NC(C)C)c(=O)cc1CNc1cccc(C)c1 1870945240 JKRCSIXCPYXRKR-UHFFFAOYSA-N 441.616 5.033 30 10 IKEE C#CCOc1cn(CCCCCCO)c(CNc2ccc(-c3ccccc3C)cc2)cc1=O 1871009427 VGUYXHIOJAZWSE-UHFFFAOYSA-N 444.575 5.001 30 10 IKEE COc1ccc([C@H](C)N2COc3cc(C)c4c(c3C2)O/C(=C\c2ccccc2)C4=O)cc1 1871354649 WMBFHZBJPRGYKB-SMNNTEATSA-N 427.500 5.533 30 10 IKEE CC(C)c1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871380183 AUIZBDFSFSYGET-CSGSSCJMSA-N 436.507 6.601 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871382522 ZHQVLVZNWOAQMZ-UUYOSTAYSA-N 448.858 5.409 30 10 IKEE Cc1c(OC(=O)CCc2ccccc2)ccc2c1O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 1871385797 NCOKMDNMGCFIPI-JCMHNJIXSA-N 429.428 5.058 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)cc1 1871387676 JEVWGPVOKXJURB-UCQKPKSFSA-N 445.427 5.219 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)cc(C)c3C2=O)c1 1871388120 JVXXGOQDXMNIGJ-OYKKKHCWSA-N 428.484 5.926 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(OC)c2)C3=O)cc1 1871389771 NVLAXRFAGSIUMP-IWIPYMOSSA-N 428.440 5.095 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc(O[C@H](C)C(=O)Nc3ccc(F)cc3)c2C)C1=O 1871400773 KPBXYPIFDFMPRD-GEYIUBJWSA-N 437.492 5.526 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(O[C@H](C)C(=O)Nc3ccccc3Cl)ccc2C1=O 1871405126 NXFXRVCGGSFYES-KSJDGYIASA-N 449.890 5.371 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OCc4ccc(C#N)cc4)c3C)C2=O)c(OC)c1 1871417587 KXVFFPBVXGFOLK-MSXFZWOLSA-N 427.456 5.079 30 10 IKEE CCOc1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1C)C2=O 1871418453 UVKHHPQSKIUMPU-OYKKKHCWSA-N 429.472 5.027 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccc5ccccc5c4)c3C)C2=O)c1 1871419525 KNMAAHYOLMAXML-YSMPRRRNSA-N 449.506 6.090 30 10 IKEE C=CCN(CC=C)c1nc(=NCC(C)C)nc(Nc2ccc(Nc3ccccc3)cc2)[nH]1 1871603933 NRWUJNNKDRGVPZ-UHFFFAOYSA-N 429.572 5.027 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(F)cc1 1871895563 WUZMUHQGSAHJMH-QHCPKHFHSA-N 446.588 5.207 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(Nc2ccccc2)cc1)S(=O)(=O)CC 1872158008 SDHRMUBYBBDWQX-HSZRJFAPSA-N 443.613 5.155 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1ccccc1CC)S(=O)(=O)c1ccc(C)c(C)c1 1872475950 WPRCFRLHIDPPLP-DEOSSOPVSA-N 442.625 5.240 30 10 IKEE N#C[C@H](C(=O)CCc1ccc(Cl)cc1)c1nc(-c2ccc(Br)cc2)cs1 1872765332 MVOGNJQJTFTRLN-QGZVFWFLSA-N 445.769 6.035 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)C(Cl)(Cl)Cl)n1 1872776970 CHYDIZHPKIBUGV-LBPRGKRZSA-N 431.772 5.663 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@H](C#N)C(=O)/C=C/c3cccc([N+](=O)[O-])c3)n2)c1C 1872778068 CMTXCJLAYFUOKJ-NDDJGDGRSA-N 431.517 5.842 30 10 IKEE COc1cc(-c2csc([C@H](C#N)C(=O)Cc3ccc(Cl)cc3)n2)c(OC)cc1Cl 1872781724 YJAMIXBGBHKNFO-OAHLLOKOSA-N 447.343 5.553 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)/C=C/c2ccc(F)cc2)n1 1872786041 CGRYBIGLNBWITI-MOTZXUDYSA-N 426.900 5.809 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCc2ccccc2)=C(c2cccnc2)C1=O 1873073697 FMESKVRZVXZWPG-UHFFFAOYSA-N 433.596 5.135 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(C(C)C)c(C)c2)=C(c2c(Cl)cccc2Cl)C1=O 1873289448 NHLSQOQLACCYHL-UHFFFAOYSA-N 429.347 5.803 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc([N+](=O)[O-])c2)=C(c2ccc(C)c(C)c2)C1=O 1873363591 WJZSECZLCKCVHH-UHFFFAOYSA-N 449.551 5.764 30 10 IKEE CCCCCOc1ccc(/C=N/Nc2oc([C@@H]3C[C@H]3c3ccccc3)nc2C#N)cc1OC 1873470489 JFXKWLZLXMVNFS-IEVYWPCISA-N 444.535 5.841 30 10 IKEE C=C(C)CSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccco1 1874192613 JLSFLSKJKPQWNZ-ZMOGYAJESA-N 444.988 5.703 30 10 IKEE C(=N/n1c(Cc2cccc3ccccc23)nnc1SCCc1ccccc1)\c1ccccn1 1874270164 IICRZMDRFSQRKR-ZTKZIYFRSA-N 449.583 5.634 30 10 IKEE Fc1ccccc1CSc1nnc(CCCOc2ccccc2)n1/N=C/c1ccccc1 1874315757 JITJQZUUPBFGOS-OVVQPSECSA-N 446.551 5.603 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2C)c1 1874379323 MBKUTWDOSXERFI-JFLMPSFJSA-N 446.551 5.505 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccccc3)n2/N=C/c2ccc(F)cc2)c1 1874383711 IZAKCQLQPFPAET-CVKSISIWSA-N 432.524 5.479 30 10 IKEE CCOc1ccc(/C=N/n2c(COc3ccccc3)nnc2SCc2ccccc2)cc1 1874384275 HTLARIQFIBYNQL-YZSQISJMSA-N 444.560 5.430 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2)n1/N=C/c1ccc(OCCCC)cc1 1874384598 YLWMAAWPUHTNOD-PCLIKHOPSA-N 436.581 5.586 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccc(F)cc2)n1/N=C/c1cccc(F)c1 1874394945 ZOSLQCBIIUCELK-VSWHYLHOSA-N 434.515 5.883 30 10 IKEE OCCCSc1nnc(CC2CCCCC2)n1/N=C/c1ccc(Cl)cc1Cl 1874408881 UTZKTMHXESDJFY-LPYMAVHISA-N 427.401 5.064 30 10 IKEE Fc1ccccc1/C=N/n1c(SCc2ccccc2Cl)nnc1-c1cccs1 1874422869 IUYQDLQVRGAFFO-FSJBWODESA-N 428.945 5.974 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCc3ccccc3F)nnc2-c2ccccc2)cc1 1874428386 GZAKVLXHVCZXNS-JVWAILMASA-N 430.552 6.382 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2C2CCCC2)c1OC 1874452198 IWAKJTGQAQMMJA-MFKUBSTISA-N 436.581 5.436 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2-c2ccco2)cc1 1874466967 LSAXBQHTKVRZHY-LGUFXXKBSA-N 446.576 5.934 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1ccc(OC)cc1OC 1874476019 DYYVDUOAWXJDMZ-MFKUBSTISA-N 438.597 5.429 30 10 IKEE CCCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1cccs1 1874479164 LYSKXDFLLOYKRN-SRZZPIQSSA-N 425.410 6.164 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874480546 BFMTUSXRARIPNS-FSJBWODESA-N 447.923 5.496 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SCCC)nnc2C2CCC2)cc1OCC 1874496213 AJZDOQQNTKMZAD-JJIBRWJFSA-N 430.618 5.898 30 10 IKEE C=CCSc1nnc(CC)n1/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1874526585 VZYJFVOUKMMAON-ZMOGYAJESA-N 447.391 5.887 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(C(F)(F)F)cc1 1874535429 GXHNJZMTWKZMPZ-PGGKNCGUSA-N 445.297 6.087 30 10 IKEE Cc1ccc(COc2ccc(Br)cc2/C=C/C(=O)c2ccc(C(C)C)cc2)cc1 1874583517 RFWIGPMFGUCVSK-WYMLVPIESA-N 449.388 7.356 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccccc2OCC(=O)NCc2ccco2)cc1C(C)C 1874585202 MOLBDHYMBLONGS-VAWYXSNFSA-N 447.531 5.311 30 10 IKEE CCCOc1c(/C=C/C(=O)c2cc(Cl)c(OC)cc2OC)cc(Cl)cc1OC 1874588373 JIOLBHPJZSVDFQ-VOTSOKGWSA-N 425.308 5.704 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)c1OCc1ccccc1 1874590903 XYUQRCXPPZVGAU-WYMLVPIESA-N 448.990 7.430 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OCc1cccc(Cl)c1 1874614993 ATZSGAFLFNGNGQ-PKNBQFBNSA-N 436.935 6.449 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1Cl 1874631649 NIKFYZBEEVDUGC-PKNBQFBNSA-N 438.907 5.841 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3)c(Cl)c2)c(OCC)c1 1874631907 ASVGFBUNCCZUJX-GXDHUFHOSA-N 436.935 6.613 30 10 IKEE C[C@@H](Oc1ccc(Cl)cc1)C(=O)Oc1cccc(/C=C/C(=O)c2ccc(Cl)cc2)c1 1874700819 OMOGOJLTYPMKOH-HQYNXSMWSA-N 441.310 6.262 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OC(=O)COc1ccc(C)c(C)c1 1874703645 ZPGNZZNDKBCWBM-FMIVXFBMSA-N 444.527 5.809 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)cc1)c1ccccc1Cl 1875111472 IZLFWPOIRIXPKZ-OKYCLFFTSA-N 437.322 6.599 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1 1875113093 WBGDHKPWDWCEJA-YIXHJXPBSA-N 437.835 5.372 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc([N+](=O)[O-])c1OC(=O)CC 1875132341 BHFRYURKPRSURY-VMPITWQZSA-N 438.263 5.512 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1cccc(Cl)c1 1875163697 YDPBSWVPUPKQRQ-WEVVVXLNSA-N 428.818 5.742 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2ccc(OC(=O)C(F)(F)F)c(Cl)c2)cc1Cl 1875174179 DIIUPJKQGBAQMR-HWKANZROSA-N 449.208 5.374 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3cccc(C)c3C)c(Cl)c2)cc1C 1875175526 UGECTOBGLKHBHG-FMIVXFBMSA-N 448.946 6.454 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)c1cccc(C)c1 1875176739 NQFOMDVPGMOILG-WYMLVPIESA-N 440.539 6.464 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1Cl 1875189502 TUKDMVDFNIXYQI-YRNVUSSQSA-N 439.766 7.419 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1OCC 1875190362 GWGDNQVPPXWVAA-UKTHLTGXSA-N 449.374 7.164 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 1875191800 FDISHHNMMHOWQX-UUILKARUSA-N 427.283 6.117 30 10 IKEE C=CCCCCC[C@@H](N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875689738 LIEHUCLLDOILOY-UHSQPCAPSA-N 445.603 6.342 30 10 IKEE CC1(C)OB([C@@]23C[C@@H]2CCN(Cc2ccc(Cl)cc2Br)C3)OC1(C)C 1879794434 OONSRJXLFFMFEI-IFXJQAMLSA-N 426.591 5.161 30 10 IKEE O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cc(Br)cc(C(F)(F)F)c1 1889902906 WOOCHEXIROXRNU-UHFFFAOYSA-N 430.117 5.878 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](O)c1cc(Cl)cc(Br)c1 1922046980 NQPACXCOYXNBPO-NHCUHLMSSA-N 438.793 5.277 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1ccc(Br)cc1Br 1922089271 OIQWKSCVSXZHPL-LJQANCHMSA-N 439.191 5.635 30 10 IKEE CCCCCCCC[C@@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCC 1947488693 PXQMSLZCGRYFBF-ZEQRLZLVSA-N 434.665 6.215 30 10 IKEE C=C(C(=O)O)[C@@H]1Cc2ccccc2CN1C(=O)OCC1c2ccccc2-c2ccccc21 1951583005 BNBXSTKDSKQCPN-VWLOTQADSA-N 425.484 5.003 30 10 IKEE C=C(C)CN(CC(=O)c1cc(Br)sc1Br)Cc1ccccc1 1960211918 AKIPJTGZDNOFDC-UHFFFAOYSA-N 443.204 5.534 30 10 IKEE C=CCCCC[C@H](NCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2009486847 JVVMNFGYBSXJBD-JYFHCDHNSA-N 430.633 5.555 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@]12CCC[C@@H](CN(C(=O)OC(C)(C)C)C1)C2 2022199123 AFAKRTJRZXRUNM-MVERNJQCSA-N 428.617 5.165 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@H](CNC(=O)OC(C)(C)C)C2(C)C)cc1 2053042056 AGFLOWTXXXGQFG-CJAUYULYSA-N 443.588 5.570 30 10 IKEE O=C(Nc1ccc(Cl)cc1)/C(N=Nc1ccc(Cl)cc1)=N/Nc1ccc(Cl)cc1 2059961262 LRVSHCOCHAACCB-QDUCYANZSA-N 446.725 6.795 30 10 IKEE CC(C)c1ccc([C@@H](C(C)C)n2nc(C3CCC3)c(C#N)c2I)cc1 2079945756 LMUPJZVHBWEGKW-HXUWFJFHSA-N 447.364 5.996 30 10 IKEE N#Cc1c(C2CC2)nn([C@@H](c2ccc(C(F)(F)F)c(F)c2)C2CCC2)c1Br 2079986080 QXHLXWVMDYACAE-QGZVFWFLSA-N 442.254 5.942 30 10 IKEE COc1ccc([C@H](n2nc(C(F)(F)F)c(C=NO)c2Br)C2(C)CC2)cc1C 2080013156 YZESZDDFJIZLTR-HNNXBMFYSA-N 446.267 5.179 30 10 IKEE COc1ccc([C@@H](n2nc(C(C)(C)C)c(C=NO)c2Br)C2(C)CC2)cc1F 2080118525 VRDMXAXQBHLTDX-QGZVFWFLSA-N 438.341 5.288 30 10 IKEE C=CCCCCCCCCC[C@@H](O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2086283338 UUEXDGXYSBRFTO-JWQCQUIFSA-N 447.660 6.544 30 10 IKEE CC(C)(C)OC(=O)NCCCN(CC#C[Si](C)(C)C)c1cccc(Br)c1 2130936510 XHAOGOURNLJZSK-UHFFFAOYSA-N 439.470 5.051 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCCC[C@@H]1C(F)(F)F 2144653923 JPOPDOBIFXTCHP-MAUKXSAKSA-N 447.295 6.205 30 10 IKEE COc1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)ccc1C 2149627599 KUAATAZCVFXOGT-GOSISDBHSA-N 431.330 5.773 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)C[C@H]2CC(F)(F)C[C@H]2C1 2160215124 MYBFGHRJRLBLTA-BDQBCWGISA-N 441.316 5.908 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCCO[C@H]1C(C)(C)C 2160256933 IRYUUODVPYTUDT-LAUBAEHRSA-N 437.378 5.678 30 10 IKEE CC(C)(C)OC(=O)N1CCc2ccc(Nc3cc(Br)c(C#N)cc3F)cc21 2162316506 NLAQAOISSWJOLV-UHFFFAOYSA-N 432.293 5.501 30 10 IKEE CCCCCCCCCC[C@@H](N)c1sc(Br)c(C)c1Br 2164492125 KFKDVTLQLIRZRE-CYBMUJFWSA-N 425.274 7.112 30 10 IKEE COc1cc(Br)ccc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(C)c1 2165552374 ZQGRPXVRSSPOKM-GOSISDBHSA-N 431.330 5.773 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](CNc2cc(Br)ccc2C#N)CC12CCC2 2176862039 DVWVQIGJYYSXNJ-HNNXBMFYSA-N 434.378 5.302 30 10 IKEE Cc1sc([C@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)c(Br)c1C 2221780554 OCYMMOLTVLNCFG-AWEZNQCLSA-N 441.416 6.191 30 10 IKEE C=C(C)CN(Cc1ccccc1)c1c(CNC2CCC2)ccc(Br)c1Cl 2231448196 NZYPWDKJBWPASC-UHFFFAOYSA-N 433.821 6.327 30 10 IKEE Cc1cnc(Nc2cc(NC(=O)OC(C)(C)C)ccc2C)c(B2OC(C)(C)C(C)(C)O2)c1 2232276086 NLSWIXHBOZLJAT-UHFFFAOYSA-N 439.365 5.088 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2cccc(Br)c2C#N)C[C@H]2CCCC[C@@H]21 2240971718 GGPOQQTXFZSJJL-VCBZYWHSSA-N 434.378 5.301 30 10 IKEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)Cc2ccccc2)c1 2241478979 OXQVCYIQOYXIPR-UHFFFAOYSA-N 441.380 5.137 30 10 IKEE Cc1cc(C(=O)N(Cc2ccccc2)c2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2267605778 XFYCZDOIXNHOTE-UHFFFAOYSA-N 427.353 5.141 30 10 IKEE C#CCCC[C@@H](OCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2274798823 NIKVPRJNXOWSFD-RUZDIDTESA-N 444.527 5.790 30 10 IKEE CCCCCCCCC(=O)[C@@](C)(O)c1cc(Br)c(Br)s1 2281277288 RKGOBIDLVIBLEK-OAHLLOKOSA-N 426.214 5.800 30 10 IKEE Cc1cc(C(=O)N(Cc2ccccc2)[C@@H](C)C(C)(C)C)cc(C)c1B1OC(C)(C)C(C)(C)O1 2281938648 QLDYBUQLMSQTTH-NRFANRHFSA-N 449.444 5.680 30 10 IKEE CCC[C@@]1(C(=O)C#Cc2ccc(Br)cc2)CCCN(C(=O)OC(C)(C)C)C1 2296227050 LOTFVOLIJWEQHY-JOCHJYFZSA-N 434.374 5.187 30 10 IKEE CN[C@H](C#Cc1ccc(Br)cc1)c1cccc(NC(=O)OC(C)(C)C)c1C 2296289661 UESNGIGQZILYBH-HXUWFJFHSA-N 429.358 5.417 30 10 IKEE CC(C)Oc1ccc(C(=O)C(=Cc2ccc(C(C)(C)C)cc2)c2nc3ccccc3o2)cc1 2296696726 VDECFKOXCHAWHV-UHFFFAOYSA-N 439.555 7.336 30 10 IKEE CCCCN1C(=O)C(=O)C(=C(O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Br)cc1 2296932627 DNSKRIVHMVOPGI-SFHVURJKSA-N 448.744 5.324 30 10 IKEE O=C(C=Cc1ccccc1Oc1c(F)c(F)nc(N2CCOCC2)c1F)c1ccccc1 2297461961 PGZPXOLVWIKSEO-UHFFFAOYSA-N 440.421 5.024 30 10 IKEE C=CCOc1ccc(C=C2C(=O)N(c3ccc(C(C)C)cc3)C(C)=C2C(=O)OC)cc1OC 2313577453 YBPXLIXYZIDQKR-UHFFFAOYSA-N 447.531 5.261 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(F)cc2)c1)c1ccc(Br)cc1 2314429856 QHSMYNHESIDXIJ-UHFFFAOYSA-N 425.253 5.704 30 10 IKEE COc1ccc(C=C2SC(=Nc3nc(-c4ccccc4)cs3)N(C)C2=O)cc1OC 2314544390 ZYSFGZZHVNSDPB-UHFFFAOYSA-N 437.546 5.061 30 10 IKEE CCCCOc1ccc(C=Nn2c(CC)nnc2SCc2cccc(F)c2)cc1OC 2320971698 NMXYMUWWGHHMEU-UHFFFAOYSA-N 442.560 5.342 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccc2cc(OC)ccc2n1 2321779806 SNWJALYMBMEXRK-UHFFFAOYSA-N 431.565 5.270 30 10 IKEE CC(C)(C)Cc1nnc(S)n1N=Cc1cccc(OCc2c(Cl)cccc2Cl)c1 2321937277 OLMGHJBVPXXQBC-UHFFFAOYSA-N 449.407 5.923 30 10 IKEE Cc1cccc(C)c1OCc1nnc(S)n1N=Cc1cccc(OCc2ccccc2)c1 2322092485 VYXHAVGCUVKUQP-UHFFFAOYSA-N 444.560 5.224 30 10 IKEE CCCOc1ccc(C=Nn2c(S)nnc2CCc2cccc3ccccc23)cc1OC 2322206854 ASKLHDNBISBARM-UHFFFAOYSA-N 446.576 5.185 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1c(F)cccc1Cl)C3=O)CN(CCc1ccccc1)CO2 2322286960 QWXQSHLDVOIMNF-UHFFFAOYSA-N 449.909 5.798 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OC(=O)c4ccccc4Cl)ccc3C2=O)cc1 2322724906 RSWUPXVCJAJYCF-UHFFFAOYSA-N 447.918 6.022 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1cc(Cl)ccc1OCCc1ccccc1 2322931748 ORTHDKLAINIBRI-UHFFFAOYSA-N 441.354 6.828 30 10 IKEE COc1ccc(C=NNc2nc(-c3ccccc3)c(C)s2)c(Br)c1OC 2323865137 LMPOKMCWLNGCFD-UHFFFAOYSA-N 432.343 5.344 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 2323921346 MSTOFYCXRNTJCT-UHFFFAOYSA-N 441.354 7.257 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(OC)c1OCc1cc(C)ccc1C 2324241289 QAXXXBDTMZMIJJ-UHFFFAOYSA-N 438.470 6.074 30 10 IKEE COc1ccccc1C=C1Oc2cc(O[C@H](C)C(=O)Nc3ccc(F)cc3)cc(C)c2C1=O 2324312726 WFNOSOUHZUOWGJ-MRXNPFEDSA-N 447.462 5.165 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4cccc(C)c4C)cc(C)c3C2=O)cc1 2324499084 YDRHVPZQOMUSFW-FQEVSTJZSA-N 441.527 5.942 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCCCCOc4cccc(C)c4)c3C)C2=O)cc1 2324571067 VGASTKAYYQSMEY-UHFFFAOYSA-N 444.527 6.166 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc(F)c2)c([N+](=O)[O-])c1)c1cc(Cl)ccc1Cl 2324662222 DECMTRNTCPCOQZ-UHFFFAOYSA-N 446.261 6.516 30 10 IKEE Cc1c(OCCOc2ccc(Cl)cc2)ccc2c1OC(=Cc1cccc(Cl)c1)C2=O 2324666210 KAYAPUGCADLMNP-UHFFFAOYSA-N 441.310 6.376 30 10 IKEE COc1ccc(OCCOc2cc(C)c3c(c2)OC(=Cc2ccccc2OC)C3=O)cc1 2324677134 ULOPKORXAUSVIP-UHFFFAOYSA-N 432.472 5.086 30 10 IKEE CCc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccccc2)cc1 2325448486 KRKPNIJMNRXJSW-UHFFFAOYSA-N 426.589 5.800 30 10 IKEE COc1cc(C=Nn2c(C)nnc2SCc2cccc3ccccc23)ccc1OC(C)C 2325631616 LJUVUTUXIKYRGI-UHFFFAOYSA-N 446.576 5.710 30 10 IKEE COc1cc(C=Nn2cnnc2SCc2c(F)cccc2Cl)ccc1OC(C)C 2325669319 QOZAQEMLFJYPQK-UHFFFAOYSA-N 434.924 5.041 30 10 IKEE C[C@@H](C(=O)Oc1cccc(C=CC(=O)c2ccc(Br)cc2)c1)c1ccccc1 2325716612 LFQWOGOFMYPLDA-QGZVFWFLSA-N 435.317 6.054 30 10 IKEE Cc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1C 2325722279 SNKWAHMXWQAKGK-UHFFFAOYSA-N 431.444 5.092 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3ccc(C)cc3C)c2)cc1 2325739267 UUFLBXDCGXHSRB-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2cc(C)ccc2C)cc1OC(=O)C1CC1 2325740213 KRVZSEYOGXUIRG-UHFFFAOYSA-N 429.310 5.286 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cccc(OC(=O)COc3c(C)ccc(C)c3C)c2)c1 2325740461 OAYBWJIMSSRFDG-UHFFFAOYSA-N 428.528 6.109 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cccc(OC(=O)c3ccc4cc(Cl)ccc4n3)c2)c1 2325740928 IOICRBGZPBQJMM-UHFFFAOYSA-N 441.914 6.620 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OC(=O)CSc1ccccc1 2325741559 NJDHPTUUNYUCAE-UHFFFAOYSA-N 436.504 5.737 30 10 IKEE CCCCCCCCC(=O)Oc1cccc(C=CC(=O)c2cc(C)c(Cl)cc2OC)c1 2325763599 ZRYMECLMQOHGBF-UHFFFAOYSA-N 442.983 7.209 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1cccs1 2325909969 FQYSZPXNOOJQJR-UHFFFAOYSA-N 425.366 5.386 30 10 IKEE CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccc(Cl)cc1Cl 2326906566 ASPFDKBMIJIEMO-UHFFFAOYSA-N 449.451 6.338 30 10 IKEE C=CCSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1ccc(C(C)C)cc1 2327383555 WQGNZDGXYGIEGV-UHFFFAOYSA-N 434.609 6.093 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc[nH]1 2328552459 GXACVTZAJXRHEZ-UHFFFAOYSA-N 435.528 5.116 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1ccccc1Cl 2328791910 UJCKBJKTQVQLOR-UHFFFAOYSA-N 426.973 5.678 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3F)n2N=Cc2ccccc2)cc1C 2328793511 UCSXMJNUXGDUKL-UHFFFAOYSA-N 446.551 5.788 30 10 IKEE C(=Nn1c(CCOc2ccccc2)nnc1SCCc1ccccc1)c1ccccc1 2329200395 YCLBGFLQDIAZOU-UHFFFAOYSA-N 428.561 5.117 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3C)n2N=Cc2cccnc2)c1 2329488369 UHXFMPBXRTWGMF-UHFFFAOYSA-N 441.604 5.558 30 10 IKEE COc1ccccc1C=Nn1c(COc2ccccc2)nnc1SCc1ccc(F)cc1 2329883851 LYNWNTSNGRUZIZ-UHFFFAOYSA-N 448.523 5.179 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1ccccc1 2330057487 CLKLKMOHZSQMNH-IBGZPJMESA-N 441.560 5.043 30 10 IKEE CCCCOc1ccc(C=Nn2c(CCc3ccccc3)nnc2SC)cc1OCC 2330153152 ILAMGLFKLMWSOL-UHFFFAOYSA-N 438.597 5.245 30 10 IKEE Oc1ccc(C=Nn2c(Cc3cccs3)nnc2SCc2ccccc2Cl)cc1 2330396045 AKDFIPGRGXSRMV-UHFFFAOYSA-N 440.981 5.464 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)cc(Cl)c1OC(=O)C(F)(F)F 2330786058 XQBRQUAOGODVDP-UHFFFAOYSA-N 428.790 5.111 30 10 IKEE CN(C)c1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccccc3Cl)cc2Cl)cc1 2330919353 CYSHUSFQNCMFEK-UHFFFAOYSA-N 440.326 6.175 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@@H]3CCCO3)n2N=Cc2cn(C)c3ccccc23)c1 2330965690 REKLOQIODBLGDZ-QHCPKHFHSA-N 445.592 5.413 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SCCC)nnc2[C@@H]2CCCO2)cc1OC 2330977098 SIHRDONKLFTVTJ-IBGZPJMESA-N 432.590 5.092 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)cc1)c1cccc(Cl)c1 2331117710 ABMZEQAPZNDBMK-YADHBBJMSA-N 437.322 6.599 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C(C)(C)C)cc1 2331398124 KEOCLFRFDZVFLD-UHFFFAOYSA-N 441.044 6.701 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C(C)(C)C)cc1 2331410874 MVSBUSUVMDNACF-UHFFFAOYSA-N 427.017 6.527 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 2331412486 BMNKHHIWMCLERU-UHFFFAOYSA-N 442.555 6.427 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2ccc(F)cc2)cc1Br 2331526126 XRDTYZHYJGYWLE-UHFFFAOYSA-N 439.280 6.012 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)c1ccc(C)cc1 2331761570 HEIFSMYFNCBORQ-UHFFFAOYSA-N 448.946 6.698 30 10 IKEE C[C@H]1CCC[C@@H](SCc2ccc(B3OC(C)(C)C(C)(C)O3)c(Br)c2)C1 2349835565 XEWBBIHRLVQNFA-GOEBONIOSA-N 425.241 5.560 30 10 IKEE Oc1ccccc1/C=N/c1ccc(-n2cnc3cc(/N=C/c4ccccc4O)ccc32)cc1 999121 DDAKLXHDRWUVLC-LPHFKDDMSA-N 432.483 5.938 30 10 IKEE Cc1ccc(S/C(=N\S(=O)(=O)c2ccc(Br)cc2)c2ccccc2)cc1 1957981 MFPPDDUMQIOBND-XDOYNYLZSA-N 446.391 5.685 30 10 IKEE Cc1c(Cl)cccc1NC(=S)N/N=C/c1cccn1Cc1ccc(F)cc1Cl 3587593 PUILOROHPYTPNZ-BHGWPJFGSA-N 435.355 5.611 30 10 IKEE CCOc1ccc(/C=C/c2nc(C#N)c(N3CCN(c4cccc(Cl)c4)CC3)o2)cc1 16768479 IJEMDFJIRYIUDX-DHZHZOJOSA-N 434.927 5.095 30 10 IKEE COc1cc(Br)cc(/C=N/c2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)c1O 20075289 ONHYFHCPXLDSAN-BHGWPJFGSA-N 440.272 5.596 30 10 IKEE CCCCCSc1nc2n(n1)[C@@H](c1ccc(OC)cc1)C1=C(CC(C)(C)CC1=O)N2 20850234 NMLGVKZAYABCJW-FQEVSTJZSA-N 426.586 5.227 30 10 IKEE CCCCSc1nnc2c(n1)O[C@H](c1ccccc1C#N)N(C(C)=O)c1ccc(C)cc1-2 32997460 IEABAEFDIMPRSQ-HSZRJFAPSA-N 445.548 5.055 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc3C2=O)cc1 33812275 MDHQUPNGFBBFKP-QRVIBDJDSA-N 429.428 5.554 30 10 IKEE O=C(/C=C\c1ccccc1F)c1ccc(OC(=O)N(c2ccccc2)c2ccccc2)cc1 34954849 GGINCLUOZXRIDO-JZJYNLBNSA-N 437.470 7.059 30 10 IKEE CCCCCCOc1ccc(Br)cc1C(=O)N(CCC#N)Cc1ccccc1 36563568 PCAJBABQWHSWOE-UHFFFAOYSA-N 443.385 5.964 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCCC)c2)[C@H]1c1ccc(C(C)(C)C)cc1 40101472 CJZCMSQKSRFHIB-XMMPIXPASA-N 449.591 6.151 30 10 IKEE CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(Cc2ccc(C)cc2C)CC1 47163433 CUKPHZKNGYYMQR-UHFFFAOYSA-N 437.591 5.169 30 10 IKEE Cc1cc(C)c(/N=C2\S[C@H](CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2C)c(C)c1 96594224 DKUIRAHKCVKKRS-BZIHZDCZSA-N 449.498 5.221 30 10 IKEE CC(=O)/C(=N/Nc1cccc(Cl)c1)Sc1nnc(-c2ccccc2)n1-c1ccccc1 96901182 OWBMTJJHYMBJEF-QYQHSDTDSA-N 447.951 5.694 30 10 IKEE CCCCCCCCCCCCCC(=O)Nc1cccc(C(=O)Nc2ccc(F)cc2)c1 100442574 CXXRJKYPAOLFRT-UHFFFAOYSA-N 440.603 7.718 30 10 IKEE CCCCCCCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)O)cc2)cc1F 101005913 PTIMCHPMRWOBEW-UHFFFAOYSA-N 444.543 7.043 30 10 IKEE O=C(/C=C\Nc1cccc(-c2ccccc2N/C=C/C(=O)C(F)(F)F)c1)C(F)(F)F 101362310 SJRVXUNODVGNTM-PNQPDEHRSA-N 428.332 5.468 30 10 IKEE CCCCCCCCCCn1c(CCCNC(=O)c2ccccc2F)nc2ccccc21 102150643 CVBOUILGMXCMBM-UHFFFAOYSA-N 437.603 6.679 30 10 IKEE O=C(C/C(=C/C(=C1\Cc2ccccc2C1=O)c1ccccc1)c1ccccc1)c1ccccc1 108649308 MUCYMSYQFRLMSG-MXKMWJELSA-N 440.542 7.236 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2cccc(F)c2)cc1 169921524 LQCMCROTCRTXMD-QHCPKHFHSA-N 442.446 5.099 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccccc2C)cc1 169926553 PJBKKWZYRSKTCL-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE COc1ccc(/C=C2\CN(Cc3ccccc3)CCC2=O)cc1OCc1ccc(C)cc1 169943062 GUTCMWRSKLCMLD-PCLIKHOPSA-N 427.544 5.441 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2ccc(N(C)C)cc2)cc1 169953680 WFKKHVYYVOXPNP-VWLOTQADSA-N 440.543 5.461 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2c2cccc(Cl)c2)c1 169970225 NZDFAPLPNLRZEG-QFIPXVFZSA-N 447.874 5.160 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@@H]2c2cccs2)cc1 169986926 FAAXJNAQVRCICZ-OAQYLSRUSA-N 437.948 6.055 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]2c2cccnc2)c1 170008729 JXXBZNAAGGAWKY-JOCHJYFZSA-N 448.906 5.225 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccccc2)c1 170055117 SBDWRJXFWZKNEU-XMMPIXPASA-N 445.490 5.045 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 170056759 MVIMVCWTQJJKFF-IBGZPJMESA-N 427.884 5.319 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2c[nH]c3ccccc23)cc1 170075273 FFBDLQYUVXIQMF-DEOSSOPVSA-N 438.483 5.268 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccccc1C 170087606 KAHFCEXMPFKXAJ-VWLOTQADSA-N 441.527 5.399 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)[C@@H]2c2ccco2)ccc1F 170095008 JPKPMVROGRTFNM-JOCHJYFZSA-N 435.451 5.297 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)CCc2ccccc2)=C(O)C(=O)N1Cc1ccc(F)cc1 170108180 DRECBTDMADXYTB-JOCHJYFZSA-N 435.520 5.293 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@H]1c1cccc(C)c1 170146639 AHOCXNYFJLJARY-HSZRJFAPSA-N 435.564 5.680 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccn2)c1 170170428 KLYVIXWCQZGSGE-JOCHJYFZSA-N 448.906 5.225 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccncc2)cc1C 170203140 XOBFDOCBUYJMHJ-DEOSSOPVSA-N 442.515 5.188 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1cccc(OCC(C)C)c1 170218905 YPEJPWYICGPWRB-QHCPKHFHSA-N 432.520 5.191 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccccc1F)c1c[nH]c2ccccc12 170247728 XYVDWOUXOVMKFE-QFIPXVFZSA-N 430.410 5.229 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 170254092 UHAMGMKOPOYONC-XMMPIXPASA-N 433.467 5.432 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccc(C)o2)cc1C 170300131 ZVEOJHHYFGHGRQ-QHCPKHFHSA-N 431.488 5.305 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(C)o2)cc1C(C)C 170302716 QHLTVJBTGFVJGY-DEOSSOPVSA-N 445.515 5.811 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2Cc2cccnc2)o1 170307682 QUNCTXFQBZEONT-QHCPKHFHSA-N 444.531 5.367 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cn(C)c3ccccc23)cc1 170394965 ZHSGBWXRUUPDJH-JOCHJYFZSA-N 444.512 5.031 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2cc(C)cc(C)c2)cc1 170452641 KTAKBYLWQYQUII-VWLOTQADSA-N 434.580 5.665 30 10 IKEE COc1ccc(/C=C2\C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)c(OC)c1 205930559 LTNWJWAEOZJETD-IQNQDUPSSA-N 436.592 5.590 30 10 IKEE CCSc1nncn1N=Cc1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1 254657093 HPVKWOCALIRKMB-UHFFFAOYSA-N 431.732 5.405 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2cccs2)[C@H]1c1ccc(Br)cc1 526606188 IKCIXXXIKWLMNE-LJQANCHMSA-N 437.318 5.439 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)c(F)c2)c1 526743907 GTNJYYYBPFWNHE-QHCPKHFHSA-N 449.453 5.537 30 10 IKEE Cc1ccc(CSc2nnc(C)n2/N=C\c2ccccc2OCc2ccccc2)c(C)c1 526810946 VNYQBQSXNQPANG-YUMHPJSZSA-N 442.588 5.957 30 10 IKEE CCCCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccccc2Cl)cc1 526816964 RDWPEHZSFJQIFB-IWIPYMOSSA-N 428.989 5.847 30 10 IKEE COc1ccc(/C=N\n2c(C)nnc2SCc2ccccc2Cl)cc1OC(C)C 526817004 SRPONMODJWRUQX-FMCGGJTJSA-N 430.961 5.210 30 10 IKEE FC(F)(F)Sc1cc(C(F)(F)F)c(I)cc1C(F)(F)F 575340624 RNMXPHVTDZQZNM-UHFFFAOYSA-N 440.068 5.941 30 10 IKEE CC(C)Oc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)[C@H]2CCCC[C@@H]2C)cc1 586148961 BNZMLIYGGFMXLO-CYFREDJKSA-N 426.582 5.115 30 10 IKEE CCCN(CCC)C(=O)Nc1cccc(C(=O)Nc2scc(C(C)(C)C)c2C#N)c1 586682033 KTPPWENZPIQSOG-UHFFFAOYSA-N 426.586 5.823 30 10 IKEE COc1ccc(Br)c([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)c1 698889664 GVQZKGTYJOTXBQ-SFHVURJKSA-N 435.293 5.603 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1cc2cscc2s1 703236633 ISTJZWBKBSOARI-HNNXBMFYSA-N 449.395 6.732 30 10 IKEE C=CCC1([C@@H](Cc2ccc(Br)cc2Cl)NC)CN(C(=O)OC(C)(C)C)C1 722919953 FGQVEFZPXQZCKS-QGZVFWFLSA-N 443.813 5.046 30 10 IKEE CO[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@@H](C#N)[C@]2(O)C1 1076482232 IKAYYSYGCHKPAB-GYWGQCSSSA-N 443.716 6.987 30 10 IKEE O=C1/C(=C\c2ccc[nH]2)SC(=Nc2nc(-c3ccccc3)cs2)N1C1CCCCC1 1772735054 GOTJEBUYZYDFCU-CXJFQJJYSA-N 434.590 6.075 30 10 IKEE O=C1/C(=C/c2ccccn2)SC(=Nc2nc(-c3ccccc3)cs2)N1c1ccccc1 1772735320 HFMJUDXIMURBTB-QGNOBFDASA-N 440.553 6.014 30 10 IKEE N#Cc1ccccc1COc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1 1860146041 GTGKAAHKDDMNOR-UHFFFAOYSA-N 432.523 6.298 30 10 IKEE CCCCCCCCCCNC(=O)c1cc(CCC)n(-c2ccc(Br)cc2)n1 1862315519 XCIJVSQNRHZBRK-UHFFFAOYSA-N 448.449 6.458 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2Cc2ccco2)cc1 1862379479 CJRRMGQVNQLPNH-HXUWFJFHSA-N 442.298 5.673 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C)cc2)cc1 1862389249 BFFBZUXUGUJQNR-VWLOTQADSA-N 440.543 5.511 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1cccc(Cl)c1 1862402976 LSVTXBQNWQUQEU-NRFANRHFSA-N 427.928 5.426 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2C2CCCC2)c1 1862404327 AKJSTPLHBQBBMM-XMMPIXPASA-N 449.547 5.313 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1cccc2ccccc12 1862405239 NKJVOVZYJKDMEA-MZNJEOGPSA-N 429.516 5.534 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862406375 ODSCZUQSWHPUHT-UZUQRXQVSA-N 437.536 5.169 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccccc2C)cc1OCCC 1862425977 KTFZBSPGBNKRSW-XMMPIXPASA-N 449.547 5.313 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccccc1C(=O)O 1862447463 QYZDHEYGFSHDIR-HXUWFJFHSA-N 441.911 5.197 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862451108 XCEQYRYAZNOLKC-SGTLLEGYSA-N 437.845 5.736 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2cccc(O)c2)c1 1862490314 SMDJRPKPXBEBMI-MHECFPHRSA-N 427.500 5.349 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2ccc(N(CC)CC)cc2)cc1 1862538348 LJBNMHNYNJPMKQ-MHECFPHRSA-N 434.580 5.472 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc3cc[nH]c3c2)c1 1862561696 WTDLTUMENJKOAE-HSZRJFAPSA-N 429.520 5.051 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccccc1C(=O)O 1862615117 HSYBJHHSDPMEAV-OAQYLSRUSA-N 435.520 5.061 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCN(C)C)cc1 1862615170 IYKPQLQQVSJVQJ-DEOSSOPVSA-N 448.607 5.247 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C2CCCC2)cc1 1862616324 QDVPWDIIKFEZJE-XMMPIXPASA-N 431.576 6.067 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCC(C)C)cc1 1862652139 FAJGCYWUOKPBGX-XMMPIXPASA-N 429.516 5.473 30 10 IKEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cc(Cl)cc(Cl)c1 1862667855 LHCHDQUQWWZALB-HXUWFJFHSA-N 448.346 5.342 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(F)cc2)=C(O)C(=O)N1C12CC3CC(CC(C3)C1)C2 1862673079 BMMXYKJKUPYTNU-RZNVFEIWSA-N 445.534 5.681 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(OCc2ccc(C)cc2)cc1 1862684787 FTMUKXLURRJTJX-XMMPIXPASA-N 445.490 5.311 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1c(Cl)cccc1Cl 1862705574 BIEZUHVCKKNHJI-FQEVSTJZSA-N 448.346 5.771 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2c(Cl)cccc2Cl)c1 1862705800 HEYHCKJDAJXGLP-IBGZPJMESA-N 434.319 5.236 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2cccc(O)c2)c1 1862713019 FVTZNYWUCWCCBJ-SANMLTNESA-N 449.506 5.632 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(C(C)C)cc1 1862738896 MDTZBYYIEHRAAV-JOCHJYFZSA-N 436.508 5.343 30 10 IKEE Cc1ccc(NC2=C(c3ccc(F)cc3F)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1Cl 1862944772 FVTVKHUTEDIVAJ-UHFFFAOYSA-N 449.844 5.195 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(CCCC)cc2)=C(c2ccc(Br)cc2)C1=O 1863193448 DRKAERRCGNCKQX-UHFFFAOYSA-N 439.353 5.170 30 10 IKEE C=CCN1C(=O)C(Nc2cc(Cl)ccc2OC)=C(c2cc(Cl)ccc2Cl)C1=O 1863386903 KZBNQGFCWGHZTD-UHFFFAOYSA-N 437.710 5.033 30 10 IKEE CCCCCCCCNC1=C(c2ccc(F)cc2F)C(=O)N([C@H](C)c2ccccc2)C1=O 1863658717 YAFOPZWQWBKPKP-GOSISDBHSA-N 440.534 5.756 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCN(C)C)=C(c2cc(C)ccc2C)C1=O 1863740068 JWUCSWHVKJVTRA-UHFFFAOYSA-N 441.660 5.065 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)C[C@H]2CCCC[C@@H]2c2ccccc2)c1 1866151085 HCVDEEKEDAEHGZ-ILBGXUMGSA-N 436.555 6.400 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC(N(C)C)CC2)nc(-c2ccc(C(C)(C)C)cc2)n1 1867997610 FHQODLWJKUCNPC-UHFFFAOYSA-N 433.644 5.150 30 10 IKEE CCCCCCCOc1cn(CCc2ccc(C)cc2)c(CN(C)CCCC)cc1=O 1870412514 AEJALNXZQZMJRG-UHFFFAOYSA-N 426.645 5.981 30 10 IKEE CCCCCCCCCCn1cc(OCC(C)C)c(=O)cc1CNc1cccc(OC)c1 1870858255 AWHFLZKTSRZECM-UHFFFAOYSA-N 442.644 6.645 30 10 IKEE C=CCn1cc(OCc2ccc(CC)cc2)c(=O)cc1CNc1ccc(C(C)(C)C)cc1 1870889743 CCVLMTGJBIMHOJ-UHFFFAOYSA-N 430.592 6.085 30 10 IKEE CCCCCCCCCCn1cc(OCCCCC)c(=O)cc1CNc1ccc(F)cc1 1871132009 FFHLBNMFDVHTEA-UHFFFAOYSA-N 444.635 7.309 30 10 IKEE Cc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCC(C)C)c(C)c1 1871252206 OWCAGQLXOMGWQD-UHFFFAOYSA-N 429.564 5.574 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1cccc(Cl)c1)O3)CN(CCc1ccc(F)cc1)CO2 1871344397 HJHISNTYEBNFOY-QRVIBDJDSA-N 449.909 5.798 30 10 IKEE CN(C)CCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(Cl)cc1Cl)C3=O 1871349584 XUWWRAVDDHJIMQ-NHDPSOOVSA-N 447.362 5.103 30 10 IKEE Cc1c2c(cc3c1O/C(=C\C=C\c1ccccc1)C3=O)CN(CCOc1ccccc1)CO2 1871352578 QSQBCISUAREEIH-MPYFKCLBSA-N 439.511 5.398 30 10 IKEE CCCCCCCCCCN1COc2c(cc3c(c2C)O/C(=C\c2ccc(C)cc2)C3=O)C1 1871355188 WKLMSJWKNBAJAV-ONUIUJJFSA-N 447.619 7.212 30 10 IKEE CCCOc1ccccc1/C=C/C(=O)Oc1ccc2c(c1C)O/C(=C\c1ccccn1)C2=O 1871375742 ALTKSCFEZUKUSH-YUSBXDGKSA-N 441.483 5.414 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc(OC(=O)CCc4ccccc4)c3C)C2=O)cc1 1871385966 WHSYOHMLHZDSDQ-ULJHMMPZSA-N 428.484 5.548 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(OC(C)C)cc2)[nH]c(N(C)C)n1 1871723702 KPLYBRRMXQWZHY-UHFFFAOYSA-N 428.625 5.443 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(Nc2ccccc2)cc1)C(C)C)S(=O)(=O)CCCC 1872144084 DKQQAJIBLGSKBJ-HSZRJFAPSA-N 443.613 5.011 30 10 IKEE N#C[C@@H](C(=O)c1ccc(-c2ccccc2)cc1)c1nc(-c2ccc3ccccc3c2)cs1 1872760834 YQWLMTSTIARRGX-VWLOTQADSA-N 430.532 7.120 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(Br)cc3)n2)cc1C 1872764922 BEFOODCLKIQQRB-QGZVFWFLSA-N 441.350 5.309 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(C(C)(C)C)cc3)n2)cc1C 1872765083 GSEXILJJDODKLC-HSRJRILOSA-N 430.573 6.314 30 10 IKEE CCOC(=O)Oc1ccc(C(=O)[C@H](C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1 1872777613 RRHKCWRQOGDZQX-KRWDZBQOSA-N 431.473 5.317 30 10 IKEE COc1cc(-c2csc([C@H](C#N)C(=O)Cc3ccc(F)c(C)c3)n2)c(OC)cc1Cl 1872783221 UVDOLYFNGRVTMH-OAHLLOKOSA-N 444.915 5.347 30 10 IKEE Cc1ccccc1OCCCC(=O)[C@H](C#N)c1nc(-c2cc(C(C)(C)C)ccc2C)cs1 1872785509 OQBPJQZIBFFFNN-QFIPXVFZSA-N 446.616 6.760 30 10 IKEE CCCCCCCCNC1=C(c2cccc(OC)c2)C(=O)N([C@H]2CCCC[C@@H]2C)C1=O 1873048172 RFZMDSIMOCBWED-UGKGYDQZSA-N 426.601 5.304 30 10 IKEE N#Cc1ccc(NC2=C(c3cc(F)cc(F)c3)C(=O)N(C3CCCCCCC3)C2=O)cc1 1873317891 FCPHEMMDGPORIB-UHFFFAOYSA-N 435.474 5.141 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(CCCC)cc2)cc2c(NCc3ccccc3)ncnc21 1873609140 WGZDKJUREPZUQJ-UHFFFAOYSA-N 439.563 5.824 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCCC)n1/N=C/c1ccc(Cl)cc1 1874228972 NPGRBSWWUGZDIF-BUVRLJJBSA-N 442.972 5.460 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(CCc3cccc4ccccc34)nnc2SC)cc1 1874233411 HPCKJRBSOLJSBY-ZXVVBBHZSA-N 443.620 5.667 30 10 IKEE CCSc1nnc(Cc2ccc(OC)c(OC)c2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874237798 GURIWCBUIKTCRV-PCLIKHOPSA-N 438.597 5.178 30 10 IKEE C=CCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1cccc(OCC)c1 1874270576 YEVQMWSZWGLGDT-NLRVBDNBSA-N 428.561 5.581 30 10 IKEE CCCCC1CCC(c2nnc(SCCO)n2/N=C/c2ccccc2OC(C)C)CC1 1874286495 JZMOMYFPZKJBID-KOEQRZSOSA-N 444.645 5.496 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccc(C)cc3)n2/N=C/c2cccnc2)cc1 1874302130 IQMSMPARUYWDJF-WPWMEQJKSA-N 443.576 5.146 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc(OC)c2)n1/N=C/c1ccc(C(C)C)cc1 1874310334 QDGMRGDOYJTJNG-WGOQTCKBSA-N 434.609 5.746 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(F)c3)n2/N=C/c2cccc(F)c2)cc1C 1874356840 BUKHYHNKBAURPO-RWPZCVJISA-N 448.542 5.938 30 10 IKEE Cc1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCc2cc(C)ccc2C)cc1 1874379609 BYBVPVWWZVUXGF-LQKURTRISA-N 444.579 6.108 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(-c2cccs2)n1/N=C/c1cccnc1 1874424067 SKCSGCDJJIDWTA-FOKLQQMPSA-N 446.388 5.883 30 10 IKEE Fc1ccc(CSc2nnc([C@H]3CCCO3)n2/N=C/c2cccc3ccccc23)cc1 1874443241 WWKKSSSJJHKZKW-QVGKIPNLSA-N 432.524 5.596 30 10 IKEE Clc1cccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2[C@@H]2CCCO2)c1 1874450196 VUIQEQCTZUZWCP-WGLQLPMYSA-N 448.979 6.111 30 10 IKEE O=C(CSc1nnc(C2CCCC2)n1/N=C/c1cccc(Cl)c1)Nc1ccccc1 1874452288 NXABEPKQPNKULC-ZVHZXABRSA-N 439.972 5.202 30 10 IKEE Cc1cccc(CSc2nnc(C3CCCC3)n2/N=C/c2c(F)cccc2Cl)c1 1874454415 KKBKPMSQORMASO-DHRITJCHSA-N 428.964 6.211 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2ccccc2C)o1 1874454776 PDBMEFRSJQIBPQ-ZVHZXABRSA-N 438.553 5.188 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(C(F)(F)F)n1/N=C/c1ccccc1Cl 1874463314 CJVBNXBYPJJUHR-KTZMUZOWSA-N 449.260 5.917 30 10 IKEE CCOc1cc(/C=N/n2c(CC(C)C)nnc2SCc2ccc(Cl)cc2)ccc1O 1874491295 JWXYLOODVUTCEU-ZMOGYAJESA-N 444.988 5.409 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CCC2)c1 1874497608 RGEYLCLMEKCBDW-MFKUBSTISA-N 441.000 6.162 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1cn(C)c2ccccc12 1874508764 UGHNVLQQJFEXHF-JVWAILMASA-N 439.588 6.050 30 10 IKEE Cc1ccc(CSc2nnc(C(C)C)n2/N=C/c2cc(Br)ccc2O)cc1 1874509254 SNIPZDAFZZRGHK-SSDVNMTOSA-N 445.386 5.353 30 10 IKEE CN(C)c1ccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C2CC2)cc1 1874520278 AGYXXRSIVTUNEO-WYMPLXKRSA-N 446.407 5.703 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c1OCc1ccc([N+](=O)[O-])cc1 1874571940 OGXOTKVMBAFGQH-DTQAZKPQSA-N 443.499 5.957 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2cccc(Cl)c2)c1OCc1ccc(F)cc1 1874577480 PJYHYKAWJZAMMD-JXMROGBWSA-N 431.290 6.616 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccccc2)c1OCc1nc(O)c2ccccc2n1 1874578597 WYMXTSGNNJWJSP-VAWYXSNFSA-N 446.890 5.473 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc(Cl)c2)c([N+](=O)[O-])c1)c1ccccc1Cl 1874608974 QSTBGWYDDFIXKJ-CSKARUKUSA-N 428.271 6.377 30 10 IKEE Cc1ccc(COc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2Br)cc1 1874625073 KRJOSMCOQNKLDT-WUXMJOGZSA-N 425.297 6.372 30 10 IKEE CCCOc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)cc1Br 1874639831 QOJZXGHYESSCIO-RMKNXTFCSA-N 435.314 5.160 30 10 IKEE CCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(CCC)CCCC 1874646904 ONFRQYWUEBFNDQ-VWLOTQADSA-N 441.660 5.985 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)CCc3ccccc3OC)c2)c1 1874694545 IWQURRMUVGAOFA-SDNWHVSQSA-N 446.499 5.147 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)c2)cc1C 1874696044 GCNUFABAGJIPKC-BUHQFNOLSA-N 446.930 6.262 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2)cc1OC(=O)c1ccc(-c2ccccc2)cc1 1874700735 JXJVGMSISAAHRZ-LDADJPATSA-N 434.491 6.478 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccccc3[N+](=O)[O-])c2)cc1 1874701761 JAYREAAGRFQNBK-XNTDXEJSSA-N 445.471 5.428 30 10 IKEE CCOc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C(C)C)cc3)c2)cc1 1874710336 XKAZJVHTSLQLHY-CAOOACKPSA-N 444.527 6.089 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1OC(=O)Cc1ccc(C)cc1 1874710819 KNYCLIFSQZYGJU-ZRDIBKRKSA-N 444.527 5.673 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cccc4ccccc34)cc2)cc1 1875105885 REZFDGOPHZZLDI-LTGZKZEYSA-N 448.562 7.227 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Br)cc2)cc(Cl)c1OC(=O)C1CC1 1875110139 WFTCPLWQNHCZEN-XCVCLJGOSA-N 449.728 5.713 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1[N+](=O)[O-] 1875135092 ZBNCLKGADYFRCH-FMIVXFBMSA-N 445.471 5.264 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])c1 1875135877 MWWLVLPHBGRQHA-UXBLZVDNSA-N 447.443 5.036 30 10 IKEE CCCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccc(C)cc2)cc1OCC 1875137180 ZXUYOSHBCGFSCU-FMIVXFBMSA-N 431.326 5.758 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3)c(OC)c2)cc1 1875138995 NBXQUFSJBBFAMW-LNKIKWGQSA-N 434.463 5.738 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3cccc(Br)c3)cc2)c(C)c1 1875182588 LASYJZAZCAFUOE-FMIVXFBMSA-N 449.344 6.490 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N(C)Cc1ccccc1)n2C 1875197526 OPZCGKCBZIHUIZ-UHFFFAOYSA-N 435.616 5.793 30 10 IKEE N#CC1(c2ccccc2)CCN(C(=O)c2ccc(Br)cc2C(F)(F)F)CC1 1890893966 VLSWPSHZKBISTQ-UHFFFAOYSA-N 437.259 5.165 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(-c4ccc(F)cc4)cc3)cc21 1891174485 LTJYPIRTCZMDFX-UHFFFAOYSA-N 444.506 5.683 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](O)c1cc(Cl)cc(Br)c1 1922046982 NQPACXCOYXNBPO-SFTDATJTSA-N 438.793 5.277 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1 1922078693 YVXYGLHOILCDEI-RPWUZVMVSA-N 430.633 5.601 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CN(C(=O)OC(C)(C)C)CC12CCC2 1922086497 QSOUHIBBDUWORM-GOTSBHOMSA-N 428.617 5.165 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)NCCC 1922086681 RYSKKUWCUAQMHL-SDUSCBPUSA-N 444.660 5.801 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCCC2(CCC2)[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCC1 1924833153 UDQILQLEHQBZBK-BVZFJXPGSA-N 447.620 5.533 30 10 IKEE CC[C@@H]1N(C(=O)OC(C)(C)C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1991578795 JJHLDGGBJBXXQJ-JTSKRJEESA-N 435.952 5.373 30 10 IKEE CC[C@@H]1CC[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)CN1C(=O)OC(C)(C)C 1996583785 UPTWTDORAUWSOZ-HXOBKFHXSA-N 449.617 5.557 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@@]2(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 2000547952 LDBIYQPGCSLNAK-JAOIYPECSA-N 447.601 5.071 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1C[C@]2(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 2016843088 SYOIKWNPHQTEEC-SAHWJRBASA-N 447.601 5.167 30 10 IKEE CCCCCC#CC[C@H](NCCC)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2024367018 DUXRNMOBEKCTHL-BJKOFHAPSA-N 430.633 5.439 30 10 IKEE CCCCC#CC[C@@H](NC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2024381130 VTLJTSQWQVMGCQ-ZEQKJWHPSA-N 428.617 5.002 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]1CCCCN1C(=O)OC(C)(C)C 2032406647 UGVVJCSGDIVSQJ-IEBWSBKVSA-N 445.560 5.118 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@]1(C#N)CCN(Cc2ccccc2)C2(CC2)C1 2042189293 KZYZSTBFGJWSFP-HHHXNRCGSA-N 437.628 6.037 30 10 IKEE CC[C@]1(Nc2cc(Br)ccc2C#N)CCCN(C(=O)OCc2ccccc2)C1 2043971404 OZHGSFMHXHKXIC-QFIPXVFZSA-N 442.357 5.314 30 10 IKEE CC(C)NC1(C#N)CCC(CN(CCN(C)Cc2ccccc2)Cc2ccccc2)CC1 2048853518 ZWJMWCNXCFOEOO-UHFFFAOYSA-N 432.656 5.071 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@H]2C2CC2)c1 2067978839 GOXMLLZBZVVSSX-CPJSRVTESA-N 441.572 5.418 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(C(=O)OC(C)(C)C)C23CCCC3)c1 2072185691 PRMWWCMVOILRIO-RUZDIDTESA-N 441.572 5.562 30 10 IKEE CC#CCCC[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCC 2073665805 RXLXQPMVVJXPKG-XMMPIXPASA-N 441.660 5.108 30 10 IKEE CC[C@@H](c1ccc(C)cc1F)n1nc(C2CCC2)c(/C=N/O)c1I 2079088817 JXUDOHVQDMJKIR-CTJICSLTSA-N 441.288 5.010 30 10 IKEE CC(C)Oc1ccc([C@@H](C2CCC2)n2nc(C3CCC3)c(C=NO)c2Br)cc1 2080127344 TUPODJCLRXDAAB-OAQYLSRUSA-N 446.389 5.898 30 10 IKEE C=C(COCc1ccccc1)[C@H](NC)c1ccc(-c2cccc(Br)c2)s1 2107918698 WBVQUMIFLMDALQ-QFIPXVFZSA-N 428.395 6.211 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(Nc3ccc(C#N)c(Br)c3)CCCCC[C@H]12 2162344587 WVAOLVTZIDTQEM-GHTZIAJQSA-N 434.378 5.445 30 10 IKEE C[C@@H]1[C@H](Nc2ccc(C#N)c(Br)c2F)C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2162387012 IZEQNUPCBMMUNG-UIBBOPPKSA-N 438.341 5.048 30 10 IKEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1sc(C)c(C)c1Br 2221829294 DXPXAQZXUIAAFC-GOEBONIOSA-N 429.424 5.085 30 10 IKEE C=C(Cl)C[C@@H](NCCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229125224 CHJXAFRNYKTANO-QZTJIDSGSA-N 445.829 5.396 30 10 IKEE C=C(C)C[C@H](NCCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229126798 OMXAHLSKMWPXMQ-OALUTQOASA-N 425.411 5.219 30 10 IKEE CCCCCCCC[C@@H](C)Nc1ccc(Br)cc1I 2231930440 QJFUIIPWEKPDNX-CYBMUJFWSA-N 438.191 6.605 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1cccc2c1OCO2 2233872814 NIBKWIZBYZKUHD-MRXNPFEDSA-N 431.286 5.184 30 10 IKEE CCCCCC#CC[C@@H](N)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237424180 HIPAMOLSHANEKO-WOJBJXKFSA-N 437.422 5.186 30 10 IKEE C=CCC[C@H](C)[C@H](NCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237427237 VVVDPRVVVQDRFO-VDGAXYAQSA-N 439.438 5.465 30 10 IKEE Cc1ccc(NC(=O)C(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1C#N 2243915712 IVZZSSHHEWJZET-UHFFFAOYSA-N 439.515 5.123 30 10 IKEE Cc1cccc(C(=O)N(Cc2ccccc2)c2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2267236311 ANOHSQYDYISKCX-UHFFFAOYSA-N 427.353 5.141 30 10 IKEE C=C(C)CCCCC(=O)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2271839864 WAEARZWRKMXVRG-GDLZYMKVSA-N 444.571 6.584 30 10 IKEE C=C(C)CCCC[C@](C)(OCCN)c1cc(Br)c(Br)s1 2292794481 XPSYIDFECMUCKV-HNNXBMFYSA-N 425.230 5.600 30 10 IKEE CCCCCCCOc1ccc(C=CC(=O)C=Cc2ccc(OCCCCCC)cc2)cc1 2294829700 ZEWWKIDWNSHWKX-UHFFFAOYSA-N 448.647 8.291 30 10 IKEE CCOc1ccc([C@@H]2C(=C(O)c3ccc(C)cc3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc1 2296079677 UJMDAPKVKFTMSA-OAQYLSRUSA-N 448.544 5.093 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)cc3c2OCOC3)c(OCc2ccccc2)c1 2297474111 KWEXEUOOPDALAJ-UHFFFAOYSA-N 436.891 5.690 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2c2nccs2)c1 2314474647 KBCUVJWSMJJOPH-QFIPXVFZSA-N 446.528 5.114 30 10 IKEE CC[C@]1(C)N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(C)c1 2315232208 SIOLMDNQACPBQZ-DQEYMECFSA-N 443.588 5.808 30 10 IKEE N#C[C@H](CSc1cc(I)ccc1Br)C1CCCC1 2316465577 NEQWTWPDPTXSFL-LLVKDONJSA-N 436.156 5.476 30 10 IKEE Cc1ccc(C)c(CSc2nncn2N=Cc2ccc(OCc3ccccc3C)cc2)c1 2321286665 RXSNXYJXJDJWAV-UHFFFAOYSA-N 442.588 5.957 30 10 IKEE Sc1nnc(CC2CCCCC2)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2321958584 ZOXTVSJXEHNFIN-UHFFFAOYSA-N 441.000 5.804 30 10 IKEE COc1ccc(C=C2Oc3c(cc4c(c3C)OCN(C3CCCCCC3)C4)C2=O)c(OC)c1 2322356763 IJVGYSQKZZIQJW-UHFFFAOYSA-N 449.547 5.503 30 10 IKEE Cc1cccc(C=C2Oc3c(cc4c(c3C)OCN(CCCc3ccccc3)C4)C2=O)c1 2322427895 ZARYDXAHCYJLQX-UHFFFAOYSA-N 425.528 5.704 30 10 IKEE O=c1c(Cl)c(NN=Cc2c(F)cccc2Cl)cnn1-c1ccc(Cl)c(Cl)c1 2322617474 QYYJKSFNSYZJHC-UHFFFAOYSA-N 446.096 5.431 30 10 IKEE Cc1c(OC(=O)c2ccc(Cl)cc2)ccc2c1OC(=Cc1ccc(Cl)cc1)C2=O 2322703685 IZCJKBLGBRKRNS-UHFFFAOYSA-N 425.267 6.137 30 10 IKEE CCOc1ccc(Br)cc1C=CC(=O)c1cc(Cl)c(OC)cc1OC 2322884182 SZTYGIVNIGUHMM-UHFFFAOYSA-N 425.706 5.415 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2cccc(C=CC(=O)c3ccc4c(c3)CCCC4)c2)c1 2323057589 IJMUWLKDNOXYDR-UHFFFAOYSA-N 439.555 6.096 30 10 IKEE CCCCCCOc1c(OC)cc(C=NNc2nc3ccc(C)cc3[nH]2)cc1[N+](=O)[O-] 2323202295 BJBHPOMCHOQPOJ-UHFFFAOYSA-N 425.489 5.193 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc(C)c3C2=O)cc1 2323331689 CIRJOIKHLNTNJB-UHFFFAOYSA-N 429.428 5.355 30 10 IKEE CCOc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2323511054 MRBOWTSOUOQDPV-UHFFFAOYSA-N 446.886 5.974 30 10 IKEE Cc1cc(OC(=O)c2cc3ccccc3oc2=O)cc2c1C(=O)C(=Cc1cccc(F)c1)O2 2323569400 TVPIDMFRLPTLLX-UHFFFAOYSA-N 442.398 5.076 30 10 IKEE Cc1c(OC(=O)CCOc2ccccc2)ccc2c1OC(=Cc1cccc(Cl)c1)C2=O 2323686575 QGOMWUDAWBWDFK-UHFFFAOYSA-N 434.875 5.639 30 10 IKEE Cc1c(OC(=O)C(C)(C)Oc2ccc(Cl)cc2)ccc2c1OC(=Cc1ccccc1)C2=O 2323710959 HXDGVMUSSPQJSC-UHFFFAOYSA-N 448.902 6.028 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OCc1ccc(Cl)c(Cl)c1 2323959874 UVRGRXAPVULHTD-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1ccc(Cl)cc1 2324077666 ZYFRGUWSPPWEQD-UHFFFAOYSA-N 434.963 7.121 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)cc(OC)c1OCc1cccc(C)c1 2324129825 SKWVOEIUIBRCGL-UHFFFAOYSA-N 438.523 6.641 30 10 IKEE Cn1cc(C=C2Oc3cc(OCCCOc4ccccc4)ccc3C2=O)c2ccccc21 2324234747 JJFCQVNTHVWFPY-UHFFFAOYSA-N 425.484 5.642 30 10 IKEE COc1ccc(C=C2Oc3cc(OCCc4ccccc4)cc(C)c3C2=O)c(OC)c1OC 2324281685 WEKUWLFXPABGLV-UHFFFAOYSA-N 446.499 5.259 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OCc3cccc(F)c3)c([N+](=O)[O-])c2)c1C 2324349278 YTTGCISQUDOIBD-UHFFFAOYSA-N 433.479 6.443 30 10 IKEE N#C[C@H](C(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc3c(c2)CCCC3)cs1 2324357054 OBFATWKPCIFQSY-OAQYLSRUSA-N 429.501 5.487 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(c4ccccc4)c4ccccc4)cc(C)c3C2=O)c1 2325216100 DBBXXTNJYGUQJB-UHFFFAOYSA-N 448.518 6.788 30 10 IKEE Cc1cc(OCC(=O)NC2CCCCC2)cc2c1C(=O)C(=Cc1c(F)cccc1Cl)O2 2325327430 RFDYZTOXTCXUKF-UHFFFAOYSA-N 443.902 5.231 30 10 IKEE O=C(C=Cc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 2325535467 DYEBJCOPGATRTE-UHFFFAOYSA-N 432.623 5.342 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2Cl)cc1OC(=O)c1ccc(Cl)cc1 2325716825 IYCJLRJVXNGNEG-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE CCc1ccc(CCC(=O)Oc2cccc(C=CC(=O)c3cc(C)c(OC)cc3C)c2)cc1 2325771493 MBMHTYXFEKMTRW-UHFFFAOYSA-N 442.555 6.309 30 10 IKEE CCOc1ccc(CCc2nnc(SCC)n2N=Cc2ccccc2Cl)cc1OC 2325890548 ZHLWSHFLOMSULB-UHFFFAOYSA-N 444.988 5.118 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1ccccc1C 2325904547 TZOSZRHJIDGXSV-UHFFFAOYSA-N 448.636 6.322 30 10 IKEE C=CCOc1ccccc1C=Nn1c(COc2ccc(Cl)cc2Cl)nnc1SC 2325907017 GGOVQTBKCLIIOO-UHFFFAOYSA-N 449.363 5.333 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1N=Cc1ccc(OCCC)c(Cl)c1 2326224795 AJNBDRHQCXHPLW-UHFFFAOYSA-N 443.016 6.237 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1cccc(OC(C)C)c1 2326252078 XXADRBYYZGQAIS-UHFFFAOYSA-N 426.561 5.722 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1N=Cc1cc(Cl)c(O)c(Cl)c1 2326388808 RXKXELGXRKMXTO-UHFFFAOYSA-N 449.407 6.116 30 10 IKEE CCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1c(C)[nH]c2ccccc12 2326823524 SKFHNEBWKRDWPL-UHFFFAOYSA-N 434.525 5.103 30 10 IKEE Cc1ccccc1CSc1nnc(CCCOc2ccccc2C)n1N=Cc1ccc[nH]1 2327057568 LMMZPKZSINXFCC-UHFFFAOYSA-N 445.592 5.409 30 10 IKEE CCCc1ccc(OCc2nnc(SCc3ccccc3C)n2N=Cc2ccco2)cc1 2327334322 LQWPHUACMZLCQH-UHFFFAOYSA-N 446.576 5.886 30 10 IKEE CCCCC1CCC(c2nnc(SCCCO)n2N=Cc2cccc(Cl)c2)CC1 2328194982 ZYLCOHVPMNLKIK-UHFFFAOYSA-N 435.037 5.752 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2ccccc2C)cc1 2328567370 RFCLBUFYBVDVCU-UHFFFAOYSA-N 442.588 5.751 30 10 IKEE CCCSc1nnc(CCc2ccccc2OC)n1N=Cc1c(F)cccc1Cl 2328702595 UHPQGJZOOKOBBT-UHFFFAOYSA-N 432.952 5.249 30 10 IKEE Fc1cccc(CSc2nnc(Cc3ccc(Cl)cc3)n2N=Cc2ccco2)c1 2329085234 QOOWFEVKVJSFSE-UHFFFAOYSA-N 426.904 5.429 30 10 IKEE COc1ccccc1C=Nn1c(SCc2ccc(F)cc2)nnc1[C@@H](C)c1ccccc1 2330058004 QXTVKAAIMZODHU-SFHVURJKSA-N 446.551 5.752 30 10 IKEE C=CCSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1ccc(OCC)c(OCC)c1 2330119237 AWOOJCMRUYQGMB-SFHVURJKSA-N 436.581 5.388 30 10 IKEE Clc1ccc(CSc2nnc(-c3cccs3)n2N=Cc2ccncc2)cc1Cl 2330608913 IHXQJQZFTNPLEU-UHFFFAOYSA-N 446.388 5.883 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(OC)c2)cc(OC)c1OC(=O)CCCSC 2330799050 DSIIKBBIHKHUSK-UHFFFAOYSA-N 440.561 5.377 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1c[nH]c2ccccc12 2330866726 NOKDKAPQXASKTA-UHFFFAOYSA-N 438.000 6.176 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 2330932380 NOHAIORDQSIXSF-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE CCc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CCCC2)cc1 2331093935 NMXZAIGEKLSBQA-UHFFFAOYSA-N 425.001 6.326 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OC(=O)Cc1ccc(F)cc1F 2331106158 PBWOFRAVRQNSMS-UHFFFAOYSA-N 444.380 5.296 30 10 IKEE CCCSc1nnc(-c2ccco2)n1N=Cc1ccc(OCc2ccc(C)cc2)cc1 2331216338 YIVBMTFPTLVEQI-UHFFFAOYSA-N 432.549 5.810 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)[C@@H](C)c1ccccc1 2331231752 XLUMYSFLYTVQMX-NRFANRHFSA-N 428.528 6.307 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)COCc1ccccc1 2331237162 YBQCLBQJQAHYBO-UHFFFAOYSA-N 430.500 5.330 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 2331352336 JUPPJAWSCMMTJE-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(OC)c(OC(=O)c2cccc(C)c2)c(OC)c1 2331353877 HGWFPDYRWJUMHB-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)[C@H]1CCCO1 2331488863 DBNJGWNLWCLBPW-OAQYLSRUSA-N 428.912 5.453 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)CCc1ccccc1 2331504121 OSGRKONHDMYBTC-UHFFFAOYSA-N 442.555 6.643 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1C(C)C 2331571531 WWEVFJVTSVSOLR-UHFFFAOYSA-N 428.528 6.551 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)c3ccco3)c(Cl)c2)c1 2331675503 VUKBTRXJFFGHTH-UHFFFAOYSA-N 440.879 5.846 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2c[nH]c3ccccc23)c1C 2331675618 CGFZNYKBMYKBPM-UHFFFAOYSA-N 446.580 5.113 30 10 IKEE CC(C)c1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2331687402 DQIUAVDOLCTESW-UHFFFAOYSA-N 433.896 5.277 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)COCc2ccccc2)cc1 2331787002 QDMFQZDONJPGGY-UHFFFAOYSA-N 442.555 6.311 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)ccc1OC(=O)CC(C)C 2331814651 GIJPCBZNKRBAIZ-UHFFFAOYSA-N 437.319 5.858 30 10 IKEE CC1(C)OB(c2cc(Cl)cnc2Oc2cc(Br)ccc2Cl)OC1(C)C 2339442163 CEVXUBHXQJKBDQ-UHFFFAOYSA-N 444.949 5.242 30 10 IKEE CCCN[C@@H](C#C[C@H]1CC1(C)C)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2365089818 KUNKABMIZSNKQQ-YJBOKZPZSA-N 435.406 5.886 30 10 IKEE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)N(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2365102921 HFTCOLGGJPMVFQ-FGZHOGPDSA-N 447.432 5.073 30 10 IKEE O=[N+]([O-])c1cc(/C=N/c2ccc3oc(-c4ccccc4Cl)nc3c2)c(O)c([N+](=O)[O-])c1 3100998 MYQDVOATRLXELT-LSHDLFTRSA-N 438.783 5.421 30 10 IKEE C=CCn1c(SCC(=O)N[C@H](c2ccccc2)C(C)C)nnc1-c1ccc(Cl)cc1 10240466 LEKDARIUXIFNDR-NRFANRHFSA-N 441.000 5.390 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccccc2Oc2ccccc2)nnc1C(F)(F)F 20839759 XSNJMGGWAIZWBG-UHFFFAOYSA-N 434.443 5.006 30 10 IKEE C=CCn1c(S[C@@H](C)c2nc(C(C)C)no2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 27764959 SCPWHRLPRDEFRV-OLZOCXBDSA-N 430.599 5.129 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O 33365145 ZUNLOUDVNOZSON-MTJSOVHGSA-N 435.273 5.593 30 10 IKEE Cc1cc2oc(C(=O)c3c(C)c(C#N)c(=O)n(Cc4ccccc4)c3O)c(C)c2cc1Cl 38619838 BUEXDIYXYJGNLB-UHFFFAOYSA-N 446.890 5.030 30 10 IKEE Cc1c(/N=N/c2cccc(C(F)(F)F)c2)c(O)n([C@H](C)c2ccccc2)c(=O)c1C#N 39871490 QTQDNODUJLKVEK-ZGYKPZRGSA-N 426.398 5.778 30 10 IKEE C=C(C)C(=O)NCCCCCc1nc2ccccc2n1CCCCOc1ccc(C)cc1 40219884 UZFXMNCHVDOLJO-UHFFFAOYSA-N 433.596 5.609 30 10 IKEE CCN(CC)[C@@H](CNc1oc(-c2ccccc2[N+](=O)[O-])nc1C#N)c1ccc(C(C)C)cc1 40374030 NDIOAHYFNVEOSK-QHCPKHFHSA-N 447.539 5.740 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)NCc2ccc(OC(C)C)cc2)cc1 60043290 KYEJGWXVBJSFPG-UHFFFAOYSA-N 442.625 5.628 30 10 IKEE CCOc1cc(/C=C2/S/C(=N\c3ccccc3)N(CC(C)C)C2=O)cc(Cl)c1O 96592066 YASOULSQRVOPLY-RVFNTIOESA-N 430.957 5.704 30 10 IKEE CCCCCCCCCCCCn1c([C@@H](C)NC(=O)c2ccc(C)cc2)nc2ccccc21 102113066 IWIKZCUNAWQFQE-XMMPIXPASA-N 447.667 7.757 30 10 IKEE CCCCCCCCCCCCCCCCn1c(CCCO)nc2cc(C)c(C)cc21 102249043 JKQARWHOBZYROH-UHFFFAOYSA-N 428.705 8.059 30 10 IKEE O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)/C1=C(/O)c1ccccc1 102619226 JZXZXNHFOCTHJU-LCPUNJGISA-N 441.380 5.471 30 10 IKEE COc1cccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccc(C)cc2)c1 169935056 RKJJIYGGOVGATC-VWLOTQADSA-N 427.500 5.106 30 10 IKEE COc1cc(/C=N\Nc2nc(-c3c(C)cc(C)cc3C)cs2)cc([N+](=O)[O-])c1OC 169943279 ODKDFGXPMPNUOD-YVNNLAQVSA-N 426.498 5.107 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2cccc(C)c2)cc1 169966154 REDIUCGCFQNDRZ-XMMPIXPASA-N 443.499 5.185 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nc3ccccc3[nH]2)c1 169973163 YPEBVLMERUHFQO-HSZRJFAPSA-N 449.466 5.400 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCC)cc1 169976018 GLLDYNCTTXQQEF-XMMPIXPASA-N 435.564 5.861 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2ccc(F)cc2)=C(N2C[C@H](C)C[C@@H](C)C2)C1=O 169985746 VZHIHQWRHCCZPT-NHCUHLMSSA-N 442.619 6.024 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc3ccccc23)c1 170045457 ONBMLODWORCQKI-VWLOTQADSA-N 437.495 5.828 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1c[nH]c2ccccc12)c1ccc2ccccc2c1 170076821 GBBDLQIHODLGPF-RUZDIDTESA-N 448.478 5.693 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccccc2C)c1 170086267 UTFOTSNRMLDPKY-AREMUKBSSA-N 449.506 5.940 30 10 IKEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4ccc(C)c(C)c4)[C@@H]3c3ccc(C)o3)nc2c1 170103563 GAJPGWJFDNMXOP-QFIPXVFZSA-N 441.487 5.172 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(O)cc2)cc1 170130347 HSIJAHSMZDDHQU-JOCHJYFZSA-N 449.528 5.021 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2cccs2)c(C)c1 170157925 BKPDNCBMDONGIT-QFIPXVFZSA-N 433.529 5.465 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2)cc1Cl 170227133 DXNMYSYTEGNILJ-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2ccco2)cc1C 170278852 HYRQGTVLKFQRCB-HSZRJFAPSA-N 447.487 5.168 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccco2)c1 170296989 RVKBZTJBTUBMMT-DEOSSOPVSA-N 445.515 5.462 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(C)o2)c1 170298115 CGIVNUBLORFYMW-LJQANCHMSA-N 443.908 5.090 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccc(Cl)cc2)o1 170303159 GYZVMKKVPUPJJT-FQEVSTJZSA-N 425.843 5.472 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccc(C)o2)c1 170305408 HFYACNKHYOREEY-QHCPKHFHSA-N 431.488 5.468 30 10 IKEE CCCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccccc2)cc1 170373562 WFPDIVPRMWKNIY-NRFANRHFSA-N 447.512 5.098 30 10 IKEE Cc1ccc(-c2ccc(/C=C\C(=O)Nc3ccc(C4(C#N)CCCC4)cc3)o2)c([N+](=O)[O-])c1 206296178 JLJQLMAHRDJXMY-RAXLEYEMSA-N 441.487 6.151 30 10 IKEE CC(=NN=C1N=C(O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)S1)C1CCCCC1 252625343 QHSJPLDQJYSMPY-INIZCTEOSA-N 440.491 5.418 30 10 IKEE CCOC(=O)c1c(-c2ccc(C)cc2)csc1N=Cc1cc(OC)cc([N+](=O)[O-])c1O 254293692 XJCJSGVSPMHNKI-UHFFFAOYSA-N 440.477 5.273 30 10 IKEE Fc1ccc(NC(=S)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 254348701 IYTCTXLMCSANFW-UHFFFAOYSA-N 433.487 5.138 30 10 IKEE COc1cc(C=NNc2ccc([N+](=O)[O-])cc2)ccc1OCCCOc1cc(C)cc(C)c1 254875904 GAXHCTVFFYMXAL-UHFFFAOYSA-N 449.507 5.514 30 10 IKEE FC(F)(F)Oc1ccc(-c2c(C(F)(F)F)cc(C(F)(F)F)cc2C(F)(F)F)cc1 514253865 CRMNURHJDBZDJR-UHFFFAOYSA-N 442.199 7.309 30 10 IKEE CCCc1nnc(SCc2ccccc2)n1/N=C\c1c(Cl)ccc(Cl)c1Cl 526800179 OSOJEXALBBLTQR-KSEXSDGBSA-N 439.799 6.365 30 10 IKEE CCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1ccc(OCC)cc1 526805962 NYIOOYSXKGVFET-ONUIUJJFSA-N 436.625 6.101 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1ccc(CC)cc1 526814569 TZIQUSXWWAWSET-CFRMEGHHSA-N 433.408 6.274 30 10 IKEE CCOc1cccc(/C=N\n2c(CC)nnc2SCc2ccc(Br)cc2)c1 526820847 LRVRYPRJLJUTAK-XKZIYDEJSA-N 445.386 5.176 30 10 IKEE COC(=O)c1c(CC=C(C)C)c(C2=CC(=O)c3ccccc3C2=O)c2ccccc2c1O 575447919 KWMJWGVFUWKTAS-UHFFFAOYSA-N 426.468 5.303 30 10 IKEE C=CCN(CCOc1ccc(OC)cc1)S(=O)(=O)c1ccc(CCCCCC)cc1 586179387 AMVHEONCANKXDZ-UHFFFAOYSA-N 431.598 5.074 30 10 IKEE C[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc(C(=O)Nc2scc(C(C)(C)C)c2C#N)c1 586639282 MCVKCDFCRFDKKL-FOIQADDNSA-N 438.597 5.870 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](Nc3ccc(C#N)cc3Br)C(C)(C)[C@@H]21 693666285 JTXUYUUFWPIIDH-FHLIZLRMSA-N 434.378 5.157 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCCc2ccccc21 698480856 CDQFEYNWIAYLJS-QFIPXVFZSA-N 427.342 5.946 30 10 IKEE C[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Br)c2ccccc21 698481786 KHCUAJJZWGAAKV-OYHNWAKOSA-N 427.342 6.117 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 698831483 ZYGTTWACNZJKHC-MBSDFSHPSA-N 433.524 5.249 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2cccc(Cl)c2Br)c1 719725911 KONOIEIJXRTGHR-KRWDZBQOSA-N 435.749 6.417 30 10 IKEE CC(C)(C)c1cc(C=NN(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc(C(C)(C)C)c1O 1088692705 JCTXRCPYKGJWCF-HXUWFJFHSA-N 442.625 5.015 30 10 IKEE N#Cc1ccc(/C(O)=C(/C(=S)NCC2CCC2)[n+]2ccc(Cc3ccccc3)cc2)cc1 1320219220 SSBGPIDOVKYIND-UHFFFAOYSA-O 440.592 5.037 30 10 IKEE N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)c2nnc3ccccc3c2O)cc1 1626697323 AULYGAHZFHRLSR-UHFFFAOYSA-N 432.892 5.264 30 10 IKEE Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)CCSc3ccccc3)cc(C)c2c1 1859657231 YQTVTSBIXFMBQQ-UHFFFAOYSA-N 441.560 5.338 30 10 IKEE CC(C)c1cccc2nc(-c3cccc(C(=O)Nc4sc5c(c4C#N)CCC5)c3)oc12 1859749356 VCUUKUKUYOBMFI-UHFFFAOYSA-N 427.529 6.292 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)CC1CCCCC1 1861456664 OBVXFLMNUNCUPH-RUZDIDTESA-N 446.651 6.080 30 10 IKEE CCCCCCCCNC(=O)c1cc(CCc2ccccc2)n(Cc2cccc(F)c2)n1 1862319759 WOMXMBDDPLNDOE-UHFFFAOYSA-N 435.587 5.946 30 10 IKEE N#Cc1ccc(NC(=O)c2cc(CCc3ccccc3)n(-c3ccccc3Cl)n2)cc1 1862329648 PFPBVOLCJWHJLD-UHFFFAOYSA-N 426.907 5.435 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccc(C)cc2)cc1C 1862400863 OJHZMRQFHAOZOI-UQBPGWFLSA-N 441.527 5.652 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2C)cc1C 1862401121 UPTDPCWNHCEMFJ-XMMPIXPASA-N 427.500 5.091 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCC2=CCCCC2)c1 1862412814 OBYXHHOSRSUVAI-HSZRJFAPSA-N 437.486 5.742 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862431148 ANOYMQWGWRBELT-DEOSSOPVSA-N 449.978 6.371 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCCOC(C)C)cc1 1862445435 VXNMTPBVVSCFMZ-QFIPXVFZSA-N 441.955 5.296 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C34CC5CC(CC(C5)C3)C4)[C@@H]2c2ccc(O)cc2)cc1 1862474014 JFAQLRYRGQKIIB-RZNVFEIWSA-N 443.543 5.248 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2ccc(Cl)cc2)cc1 1862476675 MYGYSLRYBNJXOX-XMMPIXPASA-N 445.946 6.044 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862477162 ITIBMXDHRCBTHT-HSZRJFAPSA-N 442.540 5.359 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2cccc(Cl)c2)cc1 1862535995 OMFKUGMRSCBYJY-XMMPIXPASA-N 445.946 5.723 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(N(CC)CC)cc1 1862537730 BXHVSEQBBHNUSV-DEOSSOPVSA-N 434.580 5.474 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1c(F)cccc1Cl 1862561210 NPCWVOAJDLFDRZ-GIWSNZPPSA-N 442.918 5.218 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1cccc(C)c1 1862613026 DDKGVZWZQUYTIR-DEOSSOPVSA-N 433.592 6.451 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2F)cc1 1862614493 BYDBWPYZBGNUJW-QHCPKHFHSA-N 444.506 5.297 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2Cc2ccccn2)cc1 1862616283 SWDNOWWBCPMKRA-DEOSSOPVSA-N 440.543 5.466 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1cccc(Cl)c1 1862616731 DHCBJFANSMJKEZ-NRFANRHFSA-N 441.955 5.252 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc(Br)c1 1862657067 UKXBTFHKFJKMCA-OAQYLSRUSA-N 448.316 5.367 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2cccc3ccccc23)cc1 1862692701 RLIAGVPQEJHAOM-XMMPIXPASA-N 429.516 5.473 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(C(F)(F)F)cc3)C2=O)cc1 1862899897 LCDJLSKNAOARBK-UHFFFAOYSA-N 447.416 5.282 30 10 IKEE Cc1ccccc1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(OC(C)C)cc2)C1=O 1862988184 FUFCOZDNBQKUDD-UHFFFAOYSA-N 437.499 5.051 30 10 IKEE CC(C)(C)c1csc(NC(=O)c2cccc(COc3ccc4c(c3)CCCC4)c2)c1C#N 1865787823 PTBCQBKXRULWJU-UHFFFAOYSA-N 444.600 6.627 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N(CC(=O)OC)Cc1ccccc1 1866342147 AWOAOXHOLLLZED-UHFFFAOYSA-N 445.688 7.450 30 10 IKEE CCC[C@H](NC(=O)C[C@@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1ccccc1C#N 1866774811 DKNDIUOWGSJUQO-ZCYQVOJMSA-N 443.522 5.143 30 10 IKEE Cc1ccc(C(C)(C)CCC(=O)N[C@H](C(=O)Nc2cccc(C#N)c2)c2ccccc2)cc1 1866790988 FNFULDOZSNGEKB-SANMLTNESA-N 439.559 5.421 30 10 IKEE CC[C@@H]1Cc2cc(OC)ccc2N(c2cc(Nc3ccccc3C#N)nc(C(C)C)n2)C1 1868237638 BCCIJPOCWFSRLH-GOSISDBHSA-N 427.552 5.944 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc(Cl)c2)cn1Cc1ccccc1 1870407271 TXQPLTYMOQIHFL-UHFFFAOYSA-N 434.967 5.303 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc(Cl)c2)cn1CCCCCC 1870408683 SWVKBXMYKXNQRG-UHFFFAOYSA-N 429.004 5.835 30 10 IKEE CCCCCCCCCCn1cc(OCc2ccc(F)cc2)c(=O)cc1CN(CC)CC 1870625241 VCXFKLIMWQSTDX-UHFFFAOYSA-N 444.635 6.549 30 10 IKEE CCCCCCCOc1cn(CCc2ccccc2)c(CNc2ccc(CC)cc2)cc1=O 1870830484 QPTLXAWXLKTALR-UHFFFAOYSA-N 446.635 6.615 30 10 IKEE C=CCn1cc(OCc2cccc3ccccc23)c(=O)cc1CNc1cccc([N+](=O)[O-])c1 1870918312 CWIBIAMYCIFRPN-UHFFFAOYSA-N 441.487 5.287 30 10 IKEE C=CCn1cc(OCc2cccc(F)c2)c(=O)cc1CNc1ccc(N2CCCCC2)cc1 1871063109 XIXHPBVBOVZOAZ-UHFFFAOYSA-N 447.554 5.355 30 10 IKEE C=CCn1cc(OCCC(C)C)c(=O)cc1CNc1cccc(OCc2ccccc2)c1 1871253244 QQSWHOQMKVGDEZ-UHFFFAOYSA-N 432.564 5.650 30 10 IKEE Cc1cc(OCCCc2ccccc2)cc2c1C(=O)/C(=C/c1ccc(Cl)cc1Cl)O2 1871399151 FLRRGFGDRKJFMN-QRVIBDJDSA-N 439.338 6.930 30 10 IKEE Cc1cccc(OCCCCOc2cc(C)c3c(c2)O/C(=C\c2ccccc2C)C3=O)c1 1871403779 ZSADZIZZWBYXBC-ONUIUJJFSA-N 428.528 6.466 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4cc(C)ccc4C)ccc3C2=O)cc1 1871410757 BNUQIXDWQVPVFG-APQFFPOMSA-N 441.527 5.888 30 10 IKEE C=CCOc1ccc2c(=O)c(Oc3ccc(C(=O)OCCC)cc3)c(C(F)(F)F)oc2c1 1871414264 KYCBAYVTFZCNJT-UHFFFAOYSA-N 448.393 5.736 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cc(C)ccc4OC)ccc3C2=O)cc1 1871428890 ZIBPKKOHRKEVRW-QFEZKATASA-N 443.499 5.200 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(O[C@H](C)C(=O)Nc3c(C)cccc3C)ccc2C1=O 1871430769 BLGRANGFQROCJP-OJSPLJLUSA-N 433.529 5.696 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1cccs1)C2=O)Nc1c(Cl)cccc1Cl 1871430782 BYUDDGHDAXUXOF-ZDLGFXPLSA-N 446.311 5.689 30 10 IKEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(Nc2ccccc2)cc1)S(=O)(=O)CCC 1872145310 NLEJDFHUCXLBLE-QHCPKHFHSA-N 443.613 5.011 30 10 IKEE C=CCN([C@@H](CCC)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1cccs1 1872219794 PNWIRIGXTSYUIH-IBGZPJMESA-N 434.627 5.030 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1CC)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872494296 KIOWZAYJTZXKMV-GBXCKJPGSA-N 442.625 5.178 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NS(=O)(=O)c1ccc(Cl)cc1 1872613157 MIWKKANABDFQCR-HXUWFJFHSA-N 431.042 5.044 30 10 IKEE Cc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c(C)c1 1872759184 GTHBHXQWRXEXPO-HSZRJFAPSA-N 438.552 6.349 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccccc3Cl)cs2)cc1OC 1872764370 LDFRDTWVZBICKA-SYJIQKIWSA-N 438.936 5.760 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)c(C)c1 1872769255 NKQFFPHAUPDMPT-MRXNPFEDSA-N 436.449 5.042 30 10 IKEE CCCc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3cc(OC)ccc3OC)cs2)cc1 1872771656 YYRQVEKKBZGJFY-HXUWFJFHSA-N 436.533 5.035 30 10 IKEE CCCCCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3cc(C)ccc3C)cs2)cc1 1872772339 NFSNFTIQIRAHLV-HSZRJFAPSA-N 432.589 6.876 30 10 IKEE N#C[C@@H](C(=O)COc1cc(Cl)ccc1Cl)c1nc(-c2ccc3c(c2)OCO3)cs1 1872773792 YHHHHMQQOBIWQF-ZDUSSCGKSA-N 447.299 5.101 30 10 IKEE COc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1OC 1872776993 CYQNCDSRZDKKEF-LKUPDRCFSA-N 429.501 5.198 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)/C=C/c3cccc([N+](=O)[O-])c3)n2)cc1C 1872787856 TWCNCHTXGNUQRX-IHHMQQGQSA-N 433.489 5.233 30 10 IKEE N#Cc1ccc(NC(=O)c2ccc3nc(CCCOc4ccc(Cl)cc4)[nH]c3c2)cc1 1872804904 QHAQPNCEPCGQEY-UHFFFAOYSA-N 430.895 5.352 30 10 IKEE CCCCCCCCCCNC1=C(c2cccnc2)C(=O)N(CCc2cccs2)C1=O 1873077001 LBKFRFTXXPCDEK-UHFFFAOYSA-N 439.625 5.196 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C)cc2C)=C(c2cccc(OC)c2)C1=O 1873218356 JBVFMECCJVDEPU-UHFFFAOYSA-N 434.580 5.865 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(C)c(Cl)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422538 CBYVXXGLIPSVGE-UHFFFAOYSA-N 445.950 5.434 30 10 IKEE Cc1nnc(SCc2ccc(Br)cc2)n1/N=C/c1cc2ccccc2n1C 1873499794 OPDBUVXXIJDUDY-WSDLNYQXSA-N 440.370 5.015 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2OCC)n1/N=C/c1c[nH]c2ccccc12 1874241196 UHLJISNREQGAMI-VULFUBBASA-N 447.564 5.288 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc[nH]1 1874268545 CIOHHHQDEDTBGK-OGLMXYFKSA-N 437.572 5.833 30 10 IKEE CCCCC1CCC(c2nnc(SCC(=O)OCCC)n2/N=C/c2ccccn2)CC1 1874286892 CFGKCWQWAJPWGG-PCLIKHOPSA-N 443.617 5.065 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccccc2C)cc1 1874348932 LASWHTFWDXRTPI-JVWAILMASA-N 446.551 5.500 30 10 IKEE Cc1ccccc1/C=N/n1c(CCc2ccccc2C)nnc1SCc1ccccc1C 1874361556 VLCJGZOUVJNAKB-MTDXEUNCSA-N 440.616 6.163 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2-c2ccccc2Cl)c1 1874365573 JMZBTBUZVCNHMK-JFLMPSFJSA-N 447.007 6.698 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccc(O)cc2)cc1 1874388442 MJRLGPZKKLLCQH-CVKSISIWSA-N 432.524 5.197 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2sccc2C)cc1 1874390188 ZNEQIWYORBXBFV-KOEQRZSOSA-N 432.618 5.764 30 10 IKEE CCSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1cc(Br)ccc1F 1874397364 XOMDSMDQWXGQBR-UMYHVIPVSA-N 433.350 5.326 30 10 IKEE Clc1ccc(CSc2nnc(Cc3cccs3)n2/N=C/c2ccncc2)cc1 1874414169 FUNCQKBWYOUHNI-YDZHTSKRSA-N 425.970 5.153 30 10 IKEE Cc1cccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccc([N+](=O)[O-])cc2)c1 1874417381 JJJMWWPPWXGPSZ-PCLIKHOPSA-N 443.532 5.260 30 10 IKEE Fc1cccc(CSc2nnc(-c3cccs3)n2/N=C/c2c[nH]c3ccccc23)c1 1874421637 WHSWBIOZYGRUMX-DHRITJCHSA-N 433.537 5.802 30 10 IKEE C=CCSc1nnc(CC(C)(C)C)n1/N=C/c1ccc(OCCCCC)c(OCC)c1 1874439781 RTVHOWOLUXVCBQ-XIEYBQDHSA-N 444.645 5.995 30 10 IKEE Cc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2cccc3ccccc23)c1 1874440289 SEMGPXOGSWMQRQ-WPWMEQJKSA-N 428.605 6.503 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccccc3C)nnc2C2CCCC2)c(OC)c1 1874452439 VTMPBFPOXSZAPU-MFKUBSTISA-N 436.581 5.436 30 10 IKEE Fc1ccc(CSc2nnc(C(F)(F)F)n2/N=C/c2cccc3ccccc23)cc1 1874459542 SLEZIYVXGRRDMJ-RPPGKUMJSA-N 430.430 5.764 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1sccc1C 1874480041 FRDJNSNOOPMPSP-SSDVNMTOSA-N 439.437 6.472 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(Cl)cc1Cl 1874487431 MHNQVTBVEPWNEP-BHGWPJFGSA-N 437.371 6.097 30 10 IKEE CC(C)Cc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874489683 FMIKCVFLKXLOCJ-WSDLNYQXSA-N 429.933 5.213 30 10 IKEE COCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1sccc1C 1874505873 CLKLNEXBMDSXNP-DNTJNYDQSA-N 427.382 5.276 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(OC)c(OC)c1 1874509400 AUPJYXUCXPEIHK-WYMPLXKRSA-N 448.951 5.215 30 10 IKEE CCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1cc(Br)ccc1F 1874524119 XLDGRRGXAGTMEY-LSHDLFTRSA-N 437.313 5.056 30 10 IKEE O=C(COc1ccccc1/C=C/C(=O)c1ccc(Cl)cc1Cl)NC1CCCCC1 1874573378 KYAUDOKYRPIXNT-JLHYYAGUSA-N 432.347 5.717 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OCC(=O)N[C@H](C)c1ccccc1 1874595112 VFJUMOHDHIOISZ-QIXNEVBVSA-N 449.934 5.501 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(Cl)c1OCc1ccccc1F 1874604876 JRWFUXSNFKPIFA-SDNWHVSQSA-N 438.926 6.915 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Cl)c1OCc1cccc(C)c1 1874608772 GRFFUIAFDSRQTM-ZHACJKMWSA-N 427.327 6.786 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Cl)c1OCc1cccc(C)c1 1874611975 VHZYKRBWIKESCD-JXMROGBWSA-N 442.889 6.800 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OCC(=O)Nc2ccccc2C)cc1 1874633458 CTDKUICBHHQBJO-JLHYYAGUSA-N 449.934 5.879 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCC1 1874662953 CBWCYZNVZCXVCB-DEOSSOPVSA-N 425.617 5.252 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)CC3CCCCC3)c2)cc1OC 1874694289 VTFYJHRMXQWSAB-FMIVXFBMSA-N 438.520 5.484 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccccc3)c2)cc1 1874695550 HQSYHWUVPNIIJC-GHRIWEEISA-N 428.528 6.082 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)c(Cl)c1)c1ccccc1 1875127954 HCCQADIVKYKUKK-UXBLZVDNSA-N 431.702 6.762 30 10 IKEE CSCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1Br 1875135651 AWAHFTIPACJXEP-YRNVUSSQSA-N 433.367 5.702 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(N(C)C)cc2)c(Cl)c1 1875142957 BNJMTPQNFLWKDN-WUXMJOGZSA-N 449.934 5.838 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1sccc1C 1875145624 PNYXPTHLCBQSNH-VQHVLOKHSA-N 436.529 5.888 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3)c([N+](=O)[O-])c2)cc1 1875148457 NZICIECLCRJOCJ-OQLLNIDSSA-N 443.499 5.937 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)c1cncc(C)c1 1875158550 AZGLIDSLONIBCH-IZZDOVSWSA-N 431.463 5.382 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2Cl)c(Cl)c1)c1ccc(F)c(F)c1 1875161852 KOQBVZSDUJLLQF-WEVVVXLNSA-N 433.237 6.387 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)cc2OC)cc1Cl 1875178369 GRBPWAYAVSYLFI-UKTHLTGXSA-N 430.928 6.129 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(C)c3)cc2)cc1Cl 1875185673 JFZUJMDNFPPTLP-DHZHZOJOSA-N 441.310 6.426 30 10 IKEE CC#CCCC[C@H](NCCC)c1ccc(I)c(Br)c1 1879642269 XROVKXPQOCISQK-INIZCTEOSA-N 434.159 5.288 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1csc([C@@H](C)NC(=O)OC(C)(C)C)n1 1922086278 OVBIPPYYQJZEPL-WIYYLYMNSA-N 445.629 5.543 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1944695984 VUKBNCDPWGVUEI-ICSRJNTNSA-N 429.561 5.276 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C 1949489901 PWIMRFQOTAVEKK-ROMRWMGNSA-N 427.545 5.028 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C(C)(C)[C@H]1CCCN1C(=O)OC(C)(C)C 1950039423 AUNMOLZTNZDQKU-PKTZIBPZSA-N 430.633 5.553 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@H](COc1cc(C#N)cc(Cl)n1)C1CC1 1986476209 VZNPDHDPLUOHLY-IBGZPJMESA-N 427.932 5.201 30 10 IKEE C=C1CCC(C[C@@H](N)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)CC1 1997470763 ZCPLTEPXPMSLJN-BVAGGSTKSA-N 428.617 5.294 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCCC[C@H]1NC(=O)OC(C)(C)C 2031500593 XNFXOUZFROQLAL-NLFFAJNJSA-N 443.588 5.856 30 10 IKEE Cc1cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)sc1Cl 2046767555 AAYVYPKNXVMGJS-AWEZNQCLSA-N 441.778 6.479 30 10 IKEE Cc1ccc(Sc2ccc(C=CC(=O)c3ccc4c(c3)OCCO4)cc2[N+](=O)[O-])cc1 2053612365 FBAHZRWNPAFDAT-UHFFFAOYSA-N 433.485 5.722 30 10 IKEE Cc1cc(C)c([C@@H](n2nc(C(F)F)c(C=NO)c2Br)C2(C)CC2)c(C)c1 2079875404 TWVDIHBQNMDTHM-MRXNPFEDSA-N 426.305 5.706 30 10 IKEE CC1(c2nn([C@@H](c3ccc(C(F)(F)F)cc3F)C3(C)CC3)c(Cl)c2C=NO)CC1 2079944145 MGWXSTFOROTXFV-INIZCTEOSA-N 429.845 5.944 30 10 IKEE FC(F)c1nn(C(F)F)c(I)c1-c1cccc(C(F)(F)F)c1 2080884786 YAEAWOZJCBKTHX-UHFFFAOYSA-N 438.084 5.506 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]([C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 2082162548 SZXOUZLROOPOQW-BUKPSGGLSA-N 447.551 5.543 30 10 IKEE C=CCN(C[C@H](NCCC)c1ccc(Cl)c(Br)c1F)C(=O)OC(C)(C)C 2097184393 QPCSWEQZAWFONY-HNNXBMFYSA-N 449.792 5.705 30 10 IKEE Cc1cc(Br)c(C(=O)N2CCC[C@H](B3OC(C)(C)C(C)(C)O3)C2)cc1Cl 2154430033 XDQGZJPYHZYTJR-ZDUSSCGKSA-N 442.590 5.109 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(C#N)c(Br)c2F)C12CCCC2 2162388361 XEDBRNPKFDCSIY-HNNXBMFYSA-N 438.341 5.194 30 10 IKEE C=CCN(CC[C@H](NCCC)c1c(F)cc(C)cc1Br)C(=O)OC(C)(C)C 2173454370 DKCMRYUVHLYOPV-SFHVURJKSA-N 443.401 5.751 30 10 IKEE Cc1ccc(C#N)cc1NC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2181044804 JJDVRRXMZOVWEY-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE C#CCOc1ccc(NCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1 2191228777 FLINMZHVILKOQO-UHFFFAOYSA-N 449.550 6.469 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@H](C)CN(C(=O)OC(C)(C)C)[C@@H]2C)cc1 2220395853 ZZYCKNWLFWMURH-CEYNDMKZSA-N 443.588 5.664 30 10 IKEE C=CCCCCC[C@@H](N)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229109956 OTURSGJRIQNSEC-MOPGFXCFSA-N 425.411 5.349 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](O)c1sc(C)c(C)c1Br 2229250158 HJPYRJIKACWCBC-VQTJNVASSA-N 438.431 5.302 30 10 IKEE CCCCCCCCC[C@](C)(CO)N(Cc1ccccc1)C(=O)OCc1ccccc1 2242458911 MWEZZUZRYVTGIK-HHHXNRCGSA-N 425.613 6.717 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1ccc(NC(=O)OC(C)(C)C)c(C)c1C 2256264075 ZPDUZBXOTFGJSV-RUZDIDTESA-N 438.612 6.464 30 10 IKEE C=CCC1(COc2cc(N)cc(Br)c2)CCN(C(=O)OC(C)(C)C)CC1 2272144398 UPMAWOSDVMCULE-UHFFFAOYSA-N 425.367 5.004 30 10 IKEE N#C[C@@H](C(=O)c1scc(Br)c1Cl)c1ccc(Br)cc1F 2279291927 VKXBTJPTBHLIAO-MRVPVSSYSA-N 437.515 5.556 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)[C@@H]2Nc1ccc(Br)cc1C#N 2285778105 ULTDPKPVNPVEAJ-MKJFMTOSSA-N 434.378 5.205 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Br)cc(C(C)(C)C)c1 2288666428 UAIHAUHZNJCPMT-RBUKOAKNSA-N 439.438 5.867 30 10 IKEE C#CCOc1c(Cl)cc(C=C2SC(=Nc3ccc(C)c(C)c3)NC2=O)cc1OCC 2294193371 JLJBDKOIWVARKS-UHFFFAOYSA-N 440.952 5.259 30 10 IKEE CCOc1cc(C=C2SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCC#N 2294623633 LAYDEILTQJNQLO-UHFFFAOYSA-N 448.928 5.186 30 10 IKEE CCN[C@H](C#Cc1ccccc1Cl)c1cc(Br)c(Br)s1 2295210846 DBUHCFUIOJVRAY-CYBMUJFWSA-N 433.596 5.629 30 10 IKEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc([C@@H](O)C#Cc2ccc(Br)cc2)cc1 2296280374 ZREJSVUBEONEKF-QRWLVFNGSA-N 430.342 5.120 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2313030009 FDVJHXYMFULBNR-PSRXAIMNSA-N 441.572 5.404 30 10 IKEE COc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1ccc(C)cc1 2314430152 XKIWELHJCRUJAF-UHFFFAOYSA-N 448.518 6.786 30 10 IKEE Cc1cc2c(n1-c1ccc(Cl)cc1)CC(C)(C)CC2=NOC(=O)C=Cc1ccccc1 2314524228 URKHGIFXNDLXCD-UHFFFAOYSA-N 432.951 6.372 30 10 IKEE O=C(O)c1cccc(N=C2SC(=Cc3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccccc2)c1 2314547918 MWOYWWDUQBMZJD-UHFFFAOYSA-N 445.456 5.102 30 10 IKEE C(=Nn1c(CCc2ccccc2)nnc1SCc1cccc2ccccc12)c1cccnc1 2318571181 DVTZXEHLWOGDJN-UHFFFAOYSA-N 449.583 5.786 30 10 IKEE Cc1ccccc1COc1ccc(C=NNc2oc([C@H]3C[C@@H]3c3ccccc3)nc2C#N)cc1 2320836883 DMJQITRMLOZLON-RPBOFIJWSA-N 448.526 6.151 30 10 IKEE N#Cc1nc([C@@H]2C[C@H]2c2ccccc2)oc1NN=Cc1cccc(OCc2ccccc2)c1 2320837365 URGMFKKQCBMGLP-BJKOFHAPSA-N 434.499 5.842 30 10 IKEE O=[N+]([O-])c1ccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C2CC2)cc1 2320909318 BFNJJAMGVMGGIN-UHFFFAOYSA-N 448.335 5.545 30 10 IKEE CCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1N=Cc1cccc2ccccc12 2320940745 NIXRBXUBEBQKGX-UHFFFAOYSA-N 443.576 5.224 30 10 IKEE CCCOc1ccc(C=Nn2c(CC)nnc2SCc2ccccc2C)cc1OCC 2320940985 IIBLBCGSSHMCCO-UHFFFAOYSA-N 438.597 5.511 30 10 IKEE Cc1cc(OCc2c(F)c(F)c(F)c(F)c2F)cc2c1C(=O)C(=Cc1cccs1)O2 2321810470 OYYSVVPTUQCSEF-UHFFFAOYSA-N 438.373 5.947 30 10 IKEE Cc1cccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCc2ccc(F)cc2)C4)c1 2321937018 HDIXFYYWLYXDRW-UHFFFAOYSA-N 429.491 5.453 30 10 IKEE Cc1cc(C)cc(OCCN2COc3cc(C)c4c(c3C2)OC(=Cc2cccs2)C4=O)c1 2322193222 CQYIAVBDYPVQQT-UHFFFAOYSA-N 447.556 5.520 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2ccccc2F)cc1C 2322416278 KDCSESBLMPDARN-UHFFFAOYSA-N 449.478 5.065 30 10 IKEE O=C(C=Cc1ccccc1OCc1ccccc1Cl)c1ccc(Br)cc1 2322416459 LBZSBDGOMFGURG-UHFFFAOYSA-N 427.725 6.578 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2c(OCc3cccc(F)c3)ccc3ccccc23)c1 2322659835 UDYPMTBBHVTGEC-UHFFFAOYSA-N 442.486 6.471 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OC(=O)c4cccc(C)c4)cc(C)c3C2=O)cc1 2322884290 RWZSMCMTKVZPTN-UHFFFAOYSA-N 441.527 5.985 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Br)ccc2OCc2ccc(F)cc2)cc1C 2322884751 LNLREJMXZWTXCU-UHFFFAOYSA-N 439.324 6.680 30 10 IKEE CCCOc1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccncc2)C3=O)cc1 2323460627 NDRGDDMPPCKTLT-UHFFFAOYSA-N 441.483 5.414 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OCC(=O)N[C@H](C)c1ccccc1 2323921215 WBOPSTKUZSETPB-HXUWFJFHSA-N 429.516 5.156 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2OC)cc1 2324456036 NEMHNYOTOPOPCG-UHFFFAOYSA-N 443.543 5.788 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)ccc1OCc1ccccc1 2324585062 YCTITYDTYFRGRD-UHFFFAOYSA-N 428.572 7.166 30 10 IKEE COc1ccc(OCCOc2ccc3c(c2C)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1 2324683547 WDONRDJNEVQWJL-UHFFFAOYSA-N 444.527 6.201 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(OC)cc3)n2)c1 2324736431 YXGBBCVNMZMFIF-OAQYLSRUSA-N 448.544 5.506 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)c(C)c1 2324883025 XNUUUIQGAIZBIA-UHFFFAOYSA-N 425.484 5.493 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2325513699 ILKMZPJKOYHIBY-UHFFFAOYSA-N 429.933 5.357 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C)cc4)ccc3C2=O)cc1 2325715062 VLTFYTBHLYFQAT-UHFFFAOYSA-N 429.472 5.027 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2Cl)cc1OC(=O)c1ccccc1[N+](=O)[O-] 2325717249 YZBTZZWLTBGSPD-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE COc1ccc(CCC(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c(F)c3)c2)cc1 2325748709 KZTAVZJLBQHPQJ-UHFFFAOYSA-N 434.463 5.277 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1N=Cc1cccc(OCC)c1OC 2326272811 KZSMRSBCPMLSMY-UHFFFAOYSA-N 442.560 5.342 30 10 IKEE Cc1cc(C)cc(CSc2nncn2N=Cc2c(Cl)ccc(Cl)c2Cl)c1 2326398387 PJMOEUNYVYBRCD-UHFFFAOYSA-N 425.772 6.030 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(OC(C)=O)cc1 2326477411 JBSXXJLLTRLZBZ-UHFFFAOYSA-N 442.972 5.374 30 10 IKEE Cc1nnc(SCc2ccccc2Cl)n1N=Cc1cc(Cl)c(O)c(Cl)c1 2326545781 FCHFDQOFXNDEHT-UHFFFAOYSA-N 427.744 5.427 30 10 IKEE CCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1cc(OC)ccc1OC 2326589401 GCJIWBXMNWLAFK-UHFFFAOYSA-N 446.576 5.228 30 10 IKEE Clc1cccc(Cl)c1C=Nn1cnnc1SCc1ccc(Br)cc1 2326607982 JXQMXYNSVNFFGB-UHFFFAOYSA-N 442.169 5.522 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3C)n2N=Cc2ccccc2)cc1C 2328774900 OZKYCPOAZQNIMF-UHFFFAOYSA-N 442.588 5.957 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccc(C)c(C)c3)n2N=Cc2ccc[nH]2)c1 2328777944 HXTWLSDHMCJEGI-UHFFFAOYSA-N 431.565 5.285 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccc(C)cc3C)n2N=Cc2cccs2)c1 2328883710 KBFPVPJVXWQKNQ-UHFFFAOYSA-N 448.617 6.018 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(Cl)cc3)n2N=Cc2ccccc2C)cc1 2329068741 HPWSTAFHKBMXRS-UHFFFAOYSA-N 447.007 6.314 30 10 IKEE Cc1cccc(CSc2nnc(COCc3ccccc3)n2N=Cc2ccccc2O)c1 2329317277 RWEDZMPWNUBZDJ-UHFFFAOYSA-N 444.560 5.183 30 10 IKEE Fc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2N=Cc2ccccc2)cc1 2329860926 KOLLABOJXGDQOQ-UHFFFAOYSA-N 436.943 5.836 30 10 IKEE C=CCSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2330119234 AUBWLSGEVHNRFQ-AWEZNQCLSA-N 427.917 5.152 30 10 IKEE C(=Nn1c(CC2CCCCC2)nnc1SCc1cccc2ccccc12)c1cccs1 2330279508 SGBRXRSMVBYUBK-UHFFFAOYSA-N 446.645 6.790 30 10 IKEE Oc1cccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2Cl)c1 2330493292 JAXQGLWDZNGZRG-UHFFFAOYSA-N 434.952 5.402 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1cccc(Cl)c1 2330676051 DJVBXSLOWIRCSE-UHFFFAOYSA-N 442.898 6.617 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(C)c2)cc(OC)c1OC(=O)C1CCCC1 2330879181 OSBFYAULZIKDPU-UHFFFAOYSA-N 434.532 5.732 30 10 IKEE Clc1ccc(CSc2nnc([C@@H]3CCCO3)n2N=Cc2cccs2)c(Cl)c1 2331002178 OIGHRMUOJPUIAL-INIZCTEOSA-N 439.393 5.672 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)c1ccc(F)c(F)c1F 2331081311 BPNOHAUHYZBMLR-UHFFFAOYSA-N 442.389 5.236 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@@H](Cc2ccccc2)c2ccccc2)cc1)c1ccccc1 2331162956 AZGGVWANDOYOEK-NDEPHWFRSA-N 432.519 6.515 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc([N+](=O)[O-])c1OC(=O)C1CCCC1 2331228687 GZPVGLXPCADOJB-UHFFFAOYSA-N 437.492 5.602 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccccc1C 2331254400 HXYVKQZVKGQDPG-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE COc1ccc(OC)c(C=Nn2c(SCc3cc(C)ccc3C)nnc2C(C)(C)C)c1 2331396940 PMBXUDVJTUFQKZ-UHFFFAOYSA-N 438.597 5.384 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCCO4)cc2Cl)cc1C 2331398864 SQXSQTVMZILIDI-UHFFFAOYSA-N 448.902 5.843 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)c1ccccc1F 2331403988 XZMKGQNCZHUFGW-UHFFFAOYSA-N 448.446 5.111 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cc(Cl)ccc1O 2331467182 MAJAJPCVRGJXGW-UHFFFAOYSA-N 435.380 5.664 30 10 IKEE COc1cc(C=Nn2c(SC)nnc2C2CCC2)ccc1OCc1ccc(Cl)cc1 2331478379 DJSCXFSZUFUNEC-UHFFFAOYSA-N 442.972 5.391 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OC(=O)CCc1ccccc1 2331566223 YSNBWVIPHCCNIS-UHFFFAOYSA-N 436.454 5.798 30 10 IKEE CCC(=O)Oc1c(Cl)cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC 2331571634 NLWHCTCTDGZZLL-UHFFFAOYSA-N 430.928 6.001 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1 2331786935 GDIIQNMZYOGYCK-UHFFFAOYSA-N 434.620 7.845 30 10 IKEE CCCCOc1ccc(-n2nnc(C#N)c2NC(=O)C=Cc2ccc(C(C)(C)C)cc2)cc1 2332188996 UXGRMGXWYCVVSS-UHFFFAOYSA-N 443.551 5.267 30 10 IKEE CCCC(CS)(CCC)COc1cc(Cl)c(C)cc1I 2361573727 OZJYGCYNDRWKDD-UHFFFAOYSA-N 426.791 6.148 30 10 IKEE C=CCC[C@H](C)[C@H](OCCC(=O)O)c1sc(Cl)cc1I 2366703769 GGGYIMAZUNZKRA-ZANVPECISA-N 428.719 5.141 30 10 IKEE COc1cc(/C=N/c2ccc3ccccc3c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 8426922 AILCSCVIQHGIHK-MFKUBSTISA-N 443.415 6.208 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c[nH]c3ccccc13)N2 14544845 WHZBANUYPOABQG-JDRJUVJTSA-N 445.588 5.357 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(OCC(C)C)cc2)cc1 21224333 YRIUKPJMPCAAMA-XUZZJYLKSA-N 447.575 5.515 30 10 IKEE CCCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1cccs1)C2 21237574 XJFDCYKQZAQNBV-WGDIFIGCSA-N 430.573 6.516 30 10 IKEE CCc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 21255419 OLGULQAUNUFOEN-DCFHFQCYSA-N 439.515 6.137 30 10 IKEE Cc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2cccs2)cc1C 21722338 CPCSBTWPGGDKEM-VWLOTQADSA-N 443.572 6.577 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 34955195 AFSRXGRIBQMIBU-OQLLNIDSSA-N 444.527 6.117 30 10 IKEE CSc1ccc2nc(Nc3sc4c(c3C#N)CCN(Cc3ccccc3)C4)sc2c1 36645650 WTQXNBMAKVJYDD-UHFFFAOYSA-N 448.642 6.253 30 10 IKEE C=CCOC(=O)C1=C(C)N(Cc2cc(F)cc(F)c2)C(=O)C[C@H]1c1ccccc1Cl 37280084 BVGPGOCUWCICKK-IBGZPJMESA-N 431.866 5.138 30 10 IKEE Cc1nnc(/N=C2/S/C(=C/c3ccc(Br)o3)C(=O)N2c2ccccc2)s1 39866426 SXBIKZPMGUHGKA-GFKQZJEGSA-N 447.339 5.011 30 10 IKEE C=CCc1ccc(OCCCn2c(CCCN3CCCC3)nc3ccccc32)c(OC)c1 39917695 IQYMIABDWYUUJR-UHFFFAOYSA-N 433.596 5.271 30 10 IKEE Cc1c(OC(=O)c2cc3ccccc3o2)ccc2c1O/C(=C\c1ccc(N(C)C)cc1)C2=O 41352522 HDCPTDQWVFVSMQ-UCQKPKSFSA-N 439.467 5.643 30 10 IKEE CCCCCCCCCCCCCCCC(=O)NCCCNCCCCNCCCN 43100590 JSTCRMACFBCMRZ-UHFFFAOYSA-N 440.761 5.282 30 10 IKEE CC(=O)C1=NN(c2ccc(C)cc2)[C@@]2(S1)SC(C(C)=O)=C(C)N2Cc1ccccc1 59121841 YDJYOZUTDKVVRZ-HSZRJFAPSA-N 437.590 5.132 30 10 IKEE CC1CCN(S(=O)(=O)c2ccc(/N=C/c3ccc(OCc4ccccc4)cc3)cc2)CC1 100040232 NKCITKHYUNEISH-ZXVVBBHZSA-N 448.588 5.437 30 10 IKEE CCCCCCCOc1ccc(NC(=O)CNc2ccc(C(=O)NCCC)cc2)cc1 100103425 VPICSABCIKSSIH-UHFFFAOYSA-N 425.573 5.226 30 10 IKEE CCCCCCCCc1c(C)nn(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1C 100458791 KLWWNRWQPCATRJ-KRWDZBQOSA-N 425.400 6.817 30 10 IKEE CCCCCCCCCCCn1c(C)c(C(N)=O)c(-c2ccc3c(c2)OCCO3)c1CC 102448655 ZYBXCFCSMRKLGJ-UHFFFAOYSA-N 440.628 6.427 30 10 IKEE C[C@@H](Oc1cccc(C#N)c1)C(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 109728830 JHSWWMVOYVZRSE-MRXNPFEDSA-N 440.330 5.256 30 10 IKEE COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@@H](C#N)c2ccc(F)cc2F)cc1 111029106 RLGDVTSMEVGEID-DEOSSOPVSA-N 445.469 5.435 30 10 IKEE C=CCn1c(C(=O)Nc2cc(OC)c(C(=O)O)cc2Cl)c(C)c2cc(C(C)C)ccc21 169870146 QFMVKXQXFRRUOU-UHFFFAOYSA-N 440.927 5.872 30 10 IKEE COc1cc(/C=N\n2c(Cc3ccccc3)nnc2SC)ccc1OCc1ccccc1 169916022 UHKKQQJWLPUCFN-ONUIUJJFSA-N 444.560 5.061 30 10 IKEE CCCCCCCCCOc1ccc([C@@H]2NC(=S)N(CC)C(C)=C2C(C)=O)cc1OC 169933368 JPEAIUOOWZICOF-DEOSSOPVSA-N 446.657 5.939 30 10 IKEE CCOc1c(Cl)cc(/C=N\Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1OC 169940205 SPHXCSIAVQTEMY-KSEXSDGBSA-N 447.944 5.334 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2cc(C)ccc2C)=C(O)C(=O)N1c1cccc(C)c1 169941692 SNSIYMCPCJIUOY-XMMPIXPASA-N 427.500 5.403 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2cccc(C)c2)c1 169966478 ZJWHGCNUAZNJAE-HSZRJFAPSA-N 447.918 5.830 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(OC(C)C)cc2)s1 169979513 KLHHQPLCIGTLSD-FQEVSTJZSA-N 440.565 5.068 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OCC)c3)[C@@H]2c2ccccc2)cc1 170047542 MVTSILLTIQCHOB-XMMPIXPASA-N 443.499 5.267 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(F)cc2)cc1 170062068 ALXNYPHDXAZGNW-QHCPKHFHSA-N 443.430 5.363 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccccc2F)cc1C 170069994 ODLZQBQUUFWAQQ-QFIPXVFZSA-N 446.434 5.134 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1Cc1ccc(F)cc1 170108025 FBIYHPYXKBWFDE-LJQANCHMSA-N 441.911 5.628 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(N(CC)CC)cc2)=C(c2ccc(Cl)cc2Cl)C1=O 170134881 RVPBVSTZADHFLH-UHFFFAOYSA-N 444.362 5.218 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2cccs2)cc1C 170158518 ZHLGQIFXPLDFHU-JOCHJYFZSA-N 433.529 5.465 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2cccs2)c(C)c1 170160847 PYUHDNXVMIUYOD-DEOSSOPVSA-N 439.536 6.301 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccccn1)c1cccc2ccccc12 170173938 PBFJUSVSNGAOMR-HSZRJFAPSA-N 440.886 5.671 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccnc2)ccc1OC(C)C 170194311 DRUKFDUESLEOIG-HSZRJFAPSA-N 434.536 5.088 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccccc2)c1 170228035 AJPXVMHPBIILOH-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1ccccc1)c1c[nH]c2ccccc12 170228995 GKZYSMNBHGQMQC-QFIPXVFZSA-N 430.410 5.229 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@H]1c1ccc(F)cc1 170243717 DBEFAKKLOIXLDU-OAQYLSRUSA-N 445.918 5.646 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2F)cc1 170246925 ATXBZFQKBZBQHL-NRFANRHFSA-N 437.492 5.064 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccccc1F)c1ccc2ccccc2c1 170247969 DYPABTZOLITQJD-XMMPIXPASA-N 441.433 5.901 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cn(C)c2ccccc12 170269532 DASWIXSIHUKORY-DEOSSOPVSA-N 428.532 5.045 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2C)cc1C 170272627 FFLFMFMMAQNEFC-RUZDIDTESA-N 441.527 5.712 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccco2)cc1C(C)C 170282190 LOXXCJJOCPHDLG-QHCPKHFHSA-N 449.478 5.724 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccco2)cc1 170283688 VHCWDMNNNMFFRN-QHCPKHFHSA-N 447.487 5.337 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccco2)cc1C 170287041 HGRBLBLAACCHFO-OAQYLSRUSA-N 437.879 5.423 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2c2cccc(F)c2)o1 170299028 GTLTUEARAAHSJX-LJQANCHMSA-N 446.261 5.817 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2Cc2ccco2)o1 170307102 VDRJMZWYBOISCF-QFIPXVFZSA-N 435.476 5.055 30 10 IKEE Cc1[nH]c2ccccc2c1[C@@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1c1ccc(Cl)cc1 170404437 QPSIEYAVESAQSX-OAQYLSRUSA-N 448.931 5.974 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 170421426 PQNFVEKWTZDRFF-QFIPXVFZSA-N 433.891 5.127 30 10 IKEE CCCCCCCCC[C@H](N)c1cc(I)ccc1Br 232989382 QTJXPHNAPMZTHU-INIZCTEOSA-N 438.191 6.194 30 10 IKEE C=CCCCCC[C@@H](NCC)c1cc(I)ccc1Br 233607695 QNSAYKZVYYGXFX-MRXNPFEDSA-N 436.175 5.841 30 10 IKEE CC(=O)ON=C1C=C2CC[C@H]3[C@@H](CC[C@]4(C)[C@@H]3C[C@H]3CCCC[C@]34C(C)=O)[C@@]2(C)CC1 254371983 LQJAXDXIQDWPOB-VXDGFVKOSA-N 425.613 6.244 30 10 IKEE CSc1nnc(-c2ccco2)n1N=Cc1ccc(COc2c(C)cccc2Cl)o1 254378675 XOTQPZVNMUSSJI-UHFFFAOYSA-N 428.901 5.276 30 10 IKEE COc1ccc(/C=C2\SC(=Nc3ccc(OC)cc3)N(c3ccc(OC)cc3)C2=O)cc1 254556327 MEVSHNUCCHKUCQ-ZYITZIQLSA-N 446.528 5.521 30 10 IKEE FC(F)(F)c1ccc(Cl)c(NC(=S)NN=Cc2ccccc2C(F)(F)F)c1 254866300 FGYCWERIGYPTAB-UHFFFAOYSA-N 425.785 5.698 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(F)ccc1Br)NCCC 407092850 SUTZFXLIPWVUQA-OALUTQOASA-N 443.401 5.358 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(C)c(Br)c1)NCCC 407923520 DUYMQQNBHOYYGP-VQTJNVASSA-N 439.438 5.528 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(Cl)cc2)c1OC 526489333 GXIGYIPETQXWOM-QFIPXVFZSA-N 446.890 5.286 30 10 IKEE COc1cc([C@@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc(Cl)c1O 526490458 GEXLRTUMVHEILT-JOCHJYFZSA-N 446.890 5.292 30 10 IKEE CCOc1ccc([C@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1Cl 526492098 UCDKVEYQNIDMPD-DEOSSOPVSA-N 444.918 5.976 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(F)cc1 526608215 GWGYHSHDQYRHTO-NRFANRHFSA-N 439.273 6.061 30 10 IKEE CCCCCCCOc1ccccc1/C=N\n1c(C)nnc1SCc1ccc(F)cc1 526801695 ZWLKURBVFVUVGK-ONUIUJJFSA-N 440.588 6.249 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccc(Cl)cc2)cc1 526804932 APWDPBHKRFGFDO-PKAZHMFMSA-N 447.007 6.200 30 10 IKEE Cc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1ccc(OC(C)(C)C)cc1 526805578 LWDWGPJBZUOTDN-QQXSKIMKSA-N 436.625 6.236 30 10 IKEE Cc1cc(C)cc(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccncc2)c1 526809998 ZEZPQVVGPBYXMY-PKAZHMFMSA-N 427.577 5.250 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(CC#N)c2cccc(Br)c2)cc1 586231851 WLGIZMJBZFOOTA-UHFFFAOYSA-N 435.387 5.291 30 10 IKEE CCCCCCCCC(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 686813318 CPFGNQRRPIYGOG-UHFFFAOYSA-N 444.660 6.256 30 10 IKEE C[C@@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1csc(CC#N)c1 687742911 JESTUTXLLSMLFU-VWLOTQADSA-N 446.528 5.043 30 10 IKEE COc1cc(C=Nc2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc(Cl)c1O 1083918250 UUJNQOYYOSDLCW-UHFFFAOYSA-N 440.952 5.997 30 10 IKEE CC(C)c1ccc(N=C2C(=O)N(CN3CCN(c4ccccc4)CC3)c3ccccc32)cc1 1084526468 ZUWWSQXPWCTTIU-UHFFFAOYSA-N 438.575 5.057 30 10 IKEE C[C@H]1CC(=Nc2ccc(Cl)c(Cl)c2)c2cc(F)ccc2N1C(=O)c1ccc(F)cc1 1088670886 HVHXZCYHQKIUST-ZDUSSCGKSA-N 445.296 6.831 30 10 IKEE Cc1cc2c(n1-c1ccc(Cl)cc1)CC(C)(C)CC2=NOC(=O)/C=C/c1ccccc1 1772728690 URKHGIFXNDLXCD-SHQGGTNSSA-N 432.951 6.372 30 10 IKEE S=C(N/N=C\c1cn(-c2ccccc2Cl)nc1-c1cccs1)Nc1ccccc1 1857811567 WEKAPVXPGPCPHN-QRVIBDJDSA-N 437.981 5.575 30 10 IKEE Cc1cccc(C(C)C)c1NC(=O)COc1cccnc1NC(=O)Nc1cccc(C#N)c1 1858836466 YHCXCHWWNLJMFS-UHFFFAOYSA-N 443.507 5.047 30 10 IKEE N#Cc1ccccc1NC(=O)Oc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 1858905350 DQJCDIGPENMHKA-UHFFFAOYSA-N 429.520 5.002 30 10 IKEE CCOC(=O)c1sc(NC(=O)C2(Oc3cccc(C)c3)CCCCC2)c(C#N)c1C 1859736200 QCLWXEUEEFBERU-UHFFFAOYSA-N 426.538 5.134 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(OCCCCCC)cc1 1862136281 VJGOIZRTXBLDNB-AREMUKBSSA-N 448.607 5.187 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccc(C)cc2)cc1C 1862400949 QHYZXMYFISEFBB-VWLOTQADSA-N 445.559 5.781 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1cccc(F)c1)c1ccc(F)cc1F 1862413825 LSOCWKDANBYOJN-OAQYLSRUSA-N 429.438 5.405 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccccc1 1862429164 HNDDOXBQQRSNEC-JOCHJYFZSA-N 433.891 5.127 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccccc1C(=O)O 1862433858 MWTYGBMOLHBNKD-FQEVSTJZSA-N 441.911 5.197 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(Cl)cc1Cl 1862443946 RZXGOQCPBLUOLL-ADLMAVQZSA-N 438.738 6.024 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc2ccccc12 1862450094 ZSCYDRYMAIIRKN-HSZRJFAPSA-N 449.934 5.497 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(C(C)C)cc2)cc1 1862476874 FMSWVCBXNVEILW-VWLOTQADSA-N 443.518 6.036 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 1862480110 XZZBSVGHJSCAIR-HSZRJFAPSA-N 435.564 5.296 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862486955 OPWVPWKRTAWUTO-CPJSRVTESA-N 425.528 5.951 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Br)cc1 1862487733 IBFIAKBRVVQUPP-LIRRHRJNSA-N 428.326 5.134 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccccc2Cl)c1 1862491546 VZMSKSYYRLPPJY-JOCHJYFZSA-N 441.955 5.350 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2cccc(Cl)c2)c1 1862491726 ZPWUXXWKZSRIJE-JOCHJYFZSA-N 432.907 5.130 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2cccc3ccccc23)cc1 1862561767 SZJOUPWIRDIVHN-SANMLTNESA-N 448.522 5.509 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1c(Cl)cccc1Cl)c1cccc(O)c1 1862596266 CPGSKPAZBBASGY-FQEVSTJZSA-N 446.330 5.610 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2cccc(O)c2)cc1 1862613816 QOZHEMFESCEACC-DEOSSOPVSA-N 447.575 5.991 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(OCC)cc1 1862619530 XKBVWRWFRWYNTB-HSZRJFAPSA-N 435.564 5.761 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccccc2)cc1 1862661255 VHBAOEIYVNKUAO-KBMIEXCESA-N 425.528 6.150 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(F)cc2)=C(O)C(=O)N1Cc1ccc(Cl)cc1 1862674660 QJAJBAMJTCGBJD-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862681756 ATKDMJQHIRWATF-FQEVSTJZSA-N 449.444 6.003 30 10 IKEE CCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccccc1 1862688566 ZKAYOZZFYFIBOH-RUZDIDTESA-N 449.591 6.414 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1c(F)cccc1Cl)c1ccc(-c2ccccc2)cc1 1862727742 KXTHOLCOYKFBSN-HSZRJFAPSA-N 447.893 5.887 30 10 IKEE CCCCCCCCNC1=C(c2cc(C)ccc2C)C(=O)N(Cc2ccccc2OC)C1=O 1863736803 JRMZTKONEQJCDF-UHFFFAOYSA-N 448.607 5.542 30 10 IKEE C[C@H](CC(=O)N[C@H](C(=O)Nc1ccc(C#N)cc1)c1ccccc1)c1ccc(Cl)cc1 1866716967 ZCUWZHXKXQUTQE-OSPHWJPCSA-N 431.923 5.201 30 10 IKEE Cc1nc(C2CCN(c3cc(Nc4ccc(C#N)cc4)nc(C(C)C)n3)CC2)sc1C 1868243061 UOVKZVRDBDAJFS-UHFFFAOYSA-N 432.597 5.673 30 10 IKEE Cc1cc(Cl)ccc1-n1nnc(C#N)c1NC(=O)CCCOc1ccccc1C(C)C 1870158004 MIMPQSQPEABFQP-UHFFFAOYSA-N 437.931 5.022 30 10 IKEE CC(C)c1cc(C(C)C)cc(-n2nnc(C#N)c2NC(=O)c2ccccc2C(F)(F)F)c1 1870159376 GOUXTYDKQJDERJ-UHFFFAOYSA-N 441.457 5.657 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCC)c(=O)cc1CNc1cc(C)ccc1C 1871148207 PHWXFZLAIXQWNH-UHFFFAOYSA-N 442.600 5.380 30 10 IKEE O=C1/C(=C/c2cccc([N+](=O)[O-])c2)Oc2c1ccc1c2CN(CCC2=CCCCC2)CO1 1871349832 WLXMVHMUBLDDGO-UCQKPKSFSA-N 432.476 5.253 30 10 IKEE Cc1ccc(CCN2COc3cc(C)c4c(c3C2)O/C(=C\c2sccc2C)C4=O)cc1 1871353196 NBCNPVIEXFHIFZ-XKZIYDEJSA-N 431.557 5.684 30 10 IKEE CN(C)c1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc(F)cc4)ccc3C2=O)cc1 1871366116 SNTGZAUVAKRAML-DTAINRSBSA-N 429.447 5.127 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2OC(F)F)C3=O)cc1C 1871372932 RSBQCUSVYRQUCC-UUYOSTAYSA-N 436.410 5.740 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2sccc2C)C3=O)c(OC)c1 1871386805 NVRSMRAHOZHSCU-NDENLUEZSA-N 436.485 5.218 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(OC)cc4OC)c3C)C2=O)cc1 1871387082 XWFAJSLCNBIGQI-OYKKKHCWSA-N 444.483 5.410 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccncc1)C2=O)c1ccc(OCc2ccccc2)cc1 1871388936 PWLBOPMVTOJILK-QQXSKIMKSA-N 449.462 5.496 30 10 IKEE Cc1c(OC(=O)c2cccc(OC(=O)C(C)C)c2)ccc2c1O/C(=C\c1cccs1)C2=O 1871390199 KNVMHUFGEAORHK-BKUYFWCQSA-N 448.496 5.453 30 10 IKEE Cc1cc(O)c(CN2C[C@H](C)O[C@H](C)C2)c2c1C(=O)/C(=C/c1ccc(Cl)c(Cl)c1)O2 1871395358 PAQZCJAOXXJMNL-WPYBYQTHSA-N 448.346 5.233 30 10 IKEE Cc1ccc(OCCOc2ccc3c(c2)O/C(=C\c2ccc(-c4ccccc4)cc2)C3=O)cc1 1871407260 ZGWUVFAYNNFYLL-CEUNXORHSA-N 448.518 6.736 30 10 IKEE CCCC[C@H](Oc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O)C(=O)O 1871423270 PMUGWHXZJIUHBS-BEWREHSGSA-N 431.282 5.088 30 10 IKEE CCCCCCCCN=c1nc(N(CCC)CCC)[nH]c(=Nc2ccccc2C(C)C)[nH]1 1871495246 GOMXTNXUQKQQGU-UHFFFAOYSA-N 440.680 5.981 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)c(F)c1)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872087621 PNTNKSKQDADXBM-JPYJTQIMSA-N 446.588 5.063 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cccc(C)c1)[C@@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872267362 GHKXILQYZVOVBI-RDPSFJRHSA-N 442.625 5.232 30 10 IKEE N#C[C@H](C(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872769514 UBJQHVCIXCQCTP-NFBGWVBBSA-N 444.299 5.915 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OCC(C)C)cc3)n2)cc1 1872770259 OAWDJIVTABVVDV-QFIPXVFZSA-N 434.561 6.124 30 10 IKEE Cc1cc(-c2csc([C@H](C#N)C(=O)COc3cc(Cl)ccc3Cl)n2)ccc1F 1872771812 CROZEGQPWMRGGF-CQSZACIVSA-N 435.307 5.820 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@H](C#N)C(=O)COc2ccc(Cl)cc2)n1 1872781908 ZXTIOHMQUHGTMT-GOSISDBHSA-N 426.925 5.344 30 10 IKEE COc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)s3)cs2)c(OC)c1 1872789378 HKBHTQOVYVXHDC-YVARQFDVSA-N 430.938 5.432 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@H](C)CC)=C(c2cc(F)c(F)cc2F)C1=O 1873062047 NRLXMNHWHGNLPT-MRXNPFEDSA-N 438.534 5.713 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H](C)c2ccccc2)=C(c2c(C)cc(C)cc2C)C1=O 1873120480 OFLWZHHLIWJISC-HSZRJFAPSA-N 446.635 6.403 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(F)cc2)=C(c2ccccc2C)C1=O 1873303270 VYSAINVLHMKNMC-UHFFFAOYSA-N 436.571 6.467 30 10 IKEE N#Cc1cccc(NC2=C(c3cc(F)cc(F)c3)C(=O)N(C3CCCCCCC3)C2=O)c1 1873318091 JSBRMLONKCSFRN-UHFFFAOYSA-N 435.474 5.141 30 10 IKEE Cc1ccc(C(=O)Nc2sc(NC(=O)c3cccc(C#N)c3)nc2-c2cccs2)cc1 1873454507 JXSFJAROKPSGFU-UHFFFAOYSA-N 444.541 5.556 30 10 IKEE N#Cc1ccccc1NC(=O)[C@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCCC2 1873868905 WMPKFMQQBLJLHT-AREMUKBSSA-N 449.554 5.639 30 10 IKEE CCCSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1ccc(O)cc1 1874206715 PPUQXZKOJFLUMY-SSDVNMTOSA-N 437.352 5.254 30 10 IKEE C=CCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1ccc(C(C)C)cc1 1874247746 UHYFGRPSKORNHA-NLRVBDNBSA-N 434.609 5.882 30 10 IKEE CCOc1ccc(/C=N/n2c(CCc3ccc(Cl)cc3)nnc2SC)cc1OCC 1874281367 FJBBJBKVWLFSDW-BUVRLJJBSA-N 444.988 5.118 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccccc3C)n2/N=C/c2ccc[nH]2)CC1 1874286300 YXASNWNSAKMOFX-WPWMEQJKSA-N 435.641 6.553 30 10 IKEE CCCSc1nnc(CCc2ccccc2OC)n1/N=C/c1c(Cl)cccc1Cl 1874313957 WCKDMFYKFZKIII-ZVHZXABRSA-N 449.407 5.763 30 10 IKEE Cc1cccc(/C=N/n2c(CCc3ccccc3C)nnc2SCc2cccc(F)c2)c1 1874361219 FVYDSGQVMSDZNK-OGLMXYFKSA-N 444.579 5.994 30 10 IKEE Fc1cccc(/C=N/n2c(Cc3ccccc3F)nnc2SCc2ccccc2F)c1 1874375778 MRBLQLCNKLVIMH-MZJWZYIUSA-N 438.478 5.461 30 10 IKEE Oc1cccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccc(Cl)cc2)c1 1874404633 HZOWESJEYIXEJC-WGOQTCKBSA-N 448.979 5.597 30 10 IKEE COc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2cccc(Cl)c2)cc1 1874419394 LDZCXWBBXYMLGC-WGOQTCKBSA-N 448.979 5.705 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccccc1 1874441341 RYVPEBOBRBEUMW-ZMOGYAJESA-N 433.408 6.348 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1cc(OC)ccc1OC 1874476621 SUXZFIDXEUHMMS-MFKUBSTISA-N 438.597 5.429 30 10 IKEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1cccc(OCC)c1 1874477115 JYYXFZXVFMYHKS-HZHRSRAPSA-N 439.541 5.102 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(C3CC3)n2/N=C/c2ccc(C(F)(F)F)cc2)cc1 1874518362 PSGRGDPNTJBNHE-BHGWPJFGSA-N 447.442 5.257 30 10 IKEE CCCCOc1ccc(/C=N/n2c(C)nnc2SCc2cccc(C)c2)cc1OCC 1874530506 MXJFVPRGNUPPSV-PCLIKHOPSA-N 438.597 5.647 30 10 IKEE Sc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1cccc2ccccc12 1874569091 GUIBUVBTWDNUMR-FOKLQQMPSA-N 429.332 5.488 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1OCc1ccccc1C 1874573684 ZWEVQRFPFKEUAH-JLHYYAGUSA-N 427.327 6.786 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc([N+](=O)[O-])cc1 1874575496 QFWOLDWPWMDLAN-YRNVUSSQSA-N 444.915 5.172 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2c(OCc3ccc(C)cc3)ccc3ccccc23)cc1 1874579706 DHLBHUCZDKDOBM-ISLYRVAYSA-N 436.551 7.412 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC)c1OCc1cccc(F)c1 1874585082 KTABGQMJHKCUSG-WYMLVPIESA-N 448.534 6.616 30 10 IKEE O=C(COc1ccccc1/C=C/C(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccccc1 1874585391 RAKWQOKNOASLHP-LVZFUZTISA-N 449.506 6.393 30 10 IKEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1Cl 1874601278 BUPNLEDFNZBHTQ-RIYZIHGNSA-N 433.935 5.808 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1C 1874606968 PLLSZOOSMHYIAB-BJMVGYQFSA-N 427.327 6.786 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc(OC)c1OCc1ccc(C)cc1 1874607872 KQJRBTMGIXCSHJ-WYMLVPIESA-N 442.555 6.524 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Cl)c1OCc1ccc(F)cc1 1874608804 IHUKDZLVGXWLTR-DHZHZOJOSA-N 431.290 6.616 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)OCCC)cc2)cc1 1874625562 KXOKNJSYZJLYIM-WOJGMQOQSA-N 438.564 6.264 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1 1874634816 VLJCQCJLNRFOMW-WEVVVXLNSA-N 445.317 6.925 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)c(OC)c1OC 1874639456 AHCGBEPWUDSZQG-FMIVXFBMSA-N 449.459 5.096 30 10 IKEE C[C@H](C(=O)Oc1cccc(/C=C/C(=O)c2ccc(Br)cc2)c1)c1ccccc1 1874697035 LFQWOGOFMYPLDA-OBHPCNEJSA-N 435.317 6.054 30 10 IKEE CCOc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3cccc4ccccc34)c2)cc1 1874708016 IRDICDGPENQSPU-OBGWFSINSA-N 436.507 6.283 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1OC(=O)Cc1ccccc1F 1874712503 GGUOBIRZIZAMCN-FMIVXFBMSA-N 448.490 5.504 30 10 IKEE COc1cccc(C(=O)Oc2cccc(/C=C/C(=O)c3cc(C(C)(C)C)ccc3C)c2)c1 1874715679 GSZMYYLANMWCEN-FYWRMAATSA-N 428.528 6.416 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OC(=O)c1ccc([N+](=O)[O-])cc1 1874716285 LMNTWMYVZUGQHA-VZUCSPMQSA-N 445.471 5.644 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1OC(=O)c1ccccc1 1874718027 QDPLOUWAEYAKNY-YRNVUSSQSA-N 427.283 6.117 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(CC)cc3)cc2)cc1 1875099977 IJSAPASFLKIHEO-DEDYPNTBSA-N 442.555 6.472 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1Cl 1875104651 HWEFCRZHHQUREA-UXBLZVDNSA-N 445.729 7.071 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC(=O)c1cccc(C)c1 1875116729 PHQPANDOUZUCCU-KPKJPENVSA-N 447.443 5.036 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)c1ccccc1F 1875120892 PAKVUIMZZVVOPM-JXMROGBWSA-N 442.389 5.236 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)c3sccc3C)c([N+](=O)[O-])c2)ccc1F 1875141518 IKMGUJNNRLVFKL-XVNBXDOJSA-N 425.437 5.528 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)c1ccccc1F 1875171378 UIGKWVWHXPNPRI-ZRDIBKRKSA-N 448.490 5.965 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)c1ccccc1F 1875176140 YEWUKJQIYQKAPM-PKNBQFBNSA-N 438.882 6.220 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(/C=C/C(=O)c3c(C)cc(C)cc3C)cc2Cl)c1 1875182599 LNNDPACRAYZRLR-SOFGYWHQSA-N 432.947 6.997 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1ccc(CN(C)C(=O)OC(C)(C)C)o1 1922124720 IQVUGSJBYRZNNO-HSZRJFAPSA-N 428.573 5.460 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(C)cc(Br)c1F 1926716361 SVGTVCDJHWVWTG-FUHWJXTLSA-N 429.374 5.407 30 10 IKEE CN1C(=CC=Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)C(C)(C)c2ccccc21 2040466443 BQHRFMDHWZGRAH-UHFFFAOYSA-N 442.403 6.013 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(Cc3ccccc3)C3(CC3)C2)c1 2042190927 RSLPPVWIKYJWOF-HHHXNRCGSA-N 431.580 5.828 30 10 IKEE COc1ccc(C(=O)Nc2cccc(C=C3SC(=Nc4ccccc4C)NC3=O)c2)cc1 2042446134 UTCCNTNHSZULHU-UHFFFAOYSA-N 443.528 5.148 30 10 IKEE CC1(C)OB(c2cnc(N(Cc3ccccc3)CC(F)(F)F)c3sccc23)OC1(C)C 2052609568 ZBYVPMGWPUBFCJ-UHFFFAOYSA-N 448.319 5.164 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@H]2C2CC2)cc1 2067979882 MHAPHWQYEMHKMM-NBGIEHNGSA-N 441.572 5.418 30 10 IKEE N#C[C@H]1CCCC[C@H]1NCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071263971 BUKDMIVOQQAYAU-CLJLJLNGSA-N 426.560 6.017 30 10 IKEE Cc1nn([C@@H](c2ccc(C3CCC3)cc2)C2CCC2)c(I)c1C=NO 2079892528 BAGMACYHTWQPBP-LJQANCHMSA-N 449.336 5.261 30 10 IKEE C[C@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C2CCC2)c(C=NO)c1Br 2080005474 GIAPFHJZMZRXPC-SECBINFHSA-N 434.231 5.488 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@H](O)c1ccc(Br)c(Cl)c1F 2098124716 XULCOLZWJSSPJX-VQTJNVASSA-N 442.756 5.026 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Cl)cc(Br)c1 2136661621 SZVBJPVIMZCJBE-ROUUACIJSA-N 443.813 5.450 30 10 IKEE CC(C)(C)OC(=O)NCC1(CNc2cc(Br)c(C#N)cc2F)CCCCC1 2162330588 YFRRRYZZZNGHKS-UHFFFAOYSA-N 440.357 5.347 30 10 IKEE N[C@H](C#Cc1ccccc1)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2191332530 ZLGWZBYBHNKKNA-POURPWNDSA-N 449.550 5.257 30 10 IKEE C=C(COCc1ccccc1)[C@H](NC)[C@@H]1CC2(CCCC2)CCN1C(=O)OC(C)(C)C 2215583703 BITFWRRWPUGIHM-GOTSBHOMSA-N 428.617 5.307 30 10 IKEE C=C(F)C[C@@H](NCCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2229116661 PQKZDCAMTDXOTL-MSOLQXFVSA-N 429.374 5.126 30 10 IKEE CCCCCCCCC[C@@](C)(CN)N(Cc1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 2263636888 KUPQURXFAVZNKS-MHZLTWQESA-N 445.692 5.966 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(F)cc(Br)c1F 2288344018 FGRKFSOFJIJTIZ-FUHWJXTLSA-N 445.348 5.075 30 10 IKEE CCCC[C@H](C[C@@H](C#Cc1cccc(Br)c1)NCC)NC(=O)OC(C)(C)C 2296222527 SMMPSOVMVPVAGS-WOJBJXKFSA-N 437.422 5.252 30 10 IKEE CC(C)(C)OC(=O)N[C@@](C)(C(=O)C#Cc1cccc(Br)c1)C1CCCCC1 2296224475 KRJUCGJOLLAMKG-JOCHJYFZSA-N 434.374 5.233 30 10 IKEE Cc1nc(N2C(=O)C(=O)C(=C(O)c3cccs3)[C@H]2c2ccc(Cl)cc2)sc1C 2296927087 QFQZHKKLTOPBNJ-MRXNPFEDSA-N 430.938 5.101 30 10 IKEE C(=Nc1ccc(Oc2cccc(Oc3ccc(N=Cc4ccoc4)cc3)c2)cc1)c1ccoc1 2297672068 ATQRPOYJCRWQLV-UHFFFAOYSA-N 448.478 7.958 30 10 IKEE CCN(CC)c1ccc(N=C2C(=O)c3ccccc3C(O)=C2n2nnc3ccccc32)cc1 2297747844 WCSJCMGVQHMFOF-UHFFFAOYSA-N 437.503 5.130 30 10 IKEE O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(Cl)cc1 2314477475 HTULGILMWVINBM-XMMPIXPASA-N 429.903 5.518 30 10 IKEE Cc1ccc(-c2ccc(C=C3SC(=Nc4cccc(C)n4)N(C)C3=O)o2)c([N+](=O)[O-])c1 2314540427 PWKUXJQGKFTOFQ-UHFFFAOYSA-N 434.477 5.100 30 10 IKEE N#C[C@@H](CSc1cc(I)ccc1Br)C1CCCC1 2316465578 NEQWTWPDPTXSFL-NSHDSACASA-N 436.156 5.476 30 10 IKEE CC(C)[C@H]1C[C@](C#N)(Nc2ccccc2Br)CN1C(=O)OCc1ccccc1 2321532921 QUBYSWNQBFEDEO-IFMALSPDSA-N 442.357 5.190 30 10 IKEE CCc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCCN(CC)CC)C4)cc1 2322115116 RDUHZAMODBOGSO-UHFFFAOYSA-N 434.580 5.057 30 10 IKEE Cc1cc(OCc2nnc(S)n2N=Cc2c(F)cccc2Cl)cc(C)c1Cl 2322234380 DYFRIPINIGMFQO-UHFFFAOYSA-N 425.316 5.091 30 10 IKEE COc1cccc(C=CC(=O)c2cccc3ccccc23)c1OCc1ccc([N+](=O)[O-])cc1 2322724722 JJKTXQNFKPVGFY-UHFFFAOYSA-N 439.467 6.232 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)c1 2322799188 ZDAFIMLVDFHGEM-UHFFFAOYSA-N 436.847 5.193 30 10 IKEE COc1cccc(C=CC(=O)c2cc(Cl)ccc2Cl)c1OCc1ccc(C)cc1 2323009479 XYYVBFUACDMCHF-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OCC(=O)Nc1cc(C)cc(C)c1 2323138589 QDCBXKXMGWYLLH-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)N[C@@H](C)c3ccccc3)c2)c(C)c1C 2323247912 DGKPLDBATBPNJD-NRFANRHFSA-N 443.543 5.464 30 10 IKEE CCCCCCCCCOc1ccc(C=NNc2nc(O)nnc2C(C)(C)C)cc1Cl 2323301711 XDQAXLIVSIKNFL-UHFFFAOYSA-N 448.011 6.104 30 10 IKEE Cc1c(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc2c1OC(=Cc1cccs1)C2=O 2323302954 QRVUBEFDQQWOOX-UHFFFAOYSA-N 441.848 5.454 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1Cl 2323310275 KSRGEYILVXBJNM-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1OC 2323441368 HCKARYUHFWDEPF-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OCc3ccccc3F)c(Br)c2)c1 2323486685 QDMZATPNKLURDJ-UHFFFAOYSA-N 441.296 6.072 30 10 IKEE CCCCCCCCCCN1C(=O)C(=Cc2ccc(N(CC)CC)cc2)SC1=S 2323720837 KOELKOYCYISPHF-UHFFFAOYSA-N 432.699 6.875 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc([N+](=O)[O-])c1OCc1ccccc1C 2323865171 QOYZQUZQXRLSCO-UHFFFAOYSA-N 445.515 6.394 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OCc1cccc2ccccc12 2323896737 PSHXWTNQTFPKGS-UHFFFAOYSA-N 438.523 6.641 30 10 IKEE CCCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(F)c2)C3=O)c1 2323919598 OUBCAJAHQJXPHD-UHFFFAOYSA-N 446.430 5.367 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(Cl)c(OCCc2ccccc2)c(OC)c1 2323986033 IHOPIHNPBANTEO-UHFFFAOYSA-N 436.935 6.183 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(CN4CCCCCC4)c(O)cc(C)c3C2=O)cc1 2324070615 SPVXGAQVZSOOMK-UHFFFAOYSA-N 434.580 5.539 30 10 IKEE C=C(C)COc1c(Cl)cc(C=CC(=O)c2ccc(OC)c(OC)c2OC)cc1OC 2324714615 YJQCKSTWHBHITG-UHFFFAOYSA-N 432.900 5.225 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@@H](C#N)C(=O)C=Cc2ccc(C(C)C)cc2)n1 2324847596 DBOQIAMHELSYPH-FQEVSTJZSA-N 436.964 6.485 30 10 IKEE CCCOC(=O)[C@@H](CC)Oc1cc(C)c2c(c1)OC(=Cc1c(F)cccc1Cl)C2=O 2325092407 LHFUUERDJIIYLD-GOSISDBHSA-N 432.875 5.514 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(C(=O)O)cc1 2325532315 MUPWUFCKOQQBNY-UHFFFAOYSA-N 428.945 5.147 30 10 IKEE CC(=O)c1ccccc1NC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1Cl)C2=O 2325565378 MWWNJJNNASXTJG-UHFFFAOYSA-N 447.874 5.176 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2)C3=O)cc1 2325621743 HDRIYEWZROJRJW-SFHVURJKSA-N 441.527 6.142 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C=CC(=O)c3ccccc3Cl)ccc2OC)cc1 2325716863 SHRDPGJSGQNGGM-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE O=C(Oc1cccc(C=CC(=O)c2ccccc2Cl)c1)c1ccc(C(F)(F)F)cc1 2325717912 OBBCMXSMZBKQLT-UHFFFAOYSA-N 430.809 6.474 30 10 IKEE CCCc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc(OC)cc3)c2)cc1 2325719137 DDBSCYUXURZXGH-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(Cl)c(Cl)c3)c2)cc1F 2325748524 JOBHFZJMQSVVIB-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3ccc(C)cc3C)c2)c(C)c1C 2325755564 PQDBHKMZKDNRQD-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OC(=O)COc1c(C)cccc1C 2325760061 QZEAKPYDDBNIMK-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE Cc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3c(C)cc(C)cc3C)c2)c(C)c1 2325764687 NDHKSOFNZBRIKL-UHFFFAOYSA-N 428.528 6.109 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1N=Cc1cccn1C 2325856047 FCTDYSBCQQZODI-UHFFFAOYSA-N 437.613 5.086 30 10 IKEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 2326264791 NNFKMDQJFNITDG-SANMLTNESA-N 442.600 5.089 30 10 IKEE CCOc1c(C=Nn2c(CCc3cccc4ccccc34)nnc2SC)cccc1OC 2326567585 MVRPXJZYPIUQBL-UHFFFAOYSA-N 446.576 5.228 30 10 IKEE CCOc1cc(C=Nn2c(C)nnc2SCc2cc(C)ccc2C)ccc1OC(C)C 2326589394 DCAFVEQWFSRLBV-UHFFFAOYSA-N 438.597 5.564 30 10 IKEE N#Cc1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccc(F)cc2)cc1 2326691279 UPUYVLYRCSWIKL-UHFFFAOYSA-N 427.508 5.054 30 10 IKEE CCCSc1nnc(COc2ccc(OCC)cc2)n1N=Cc1c[nH]c2ccccc12 2326697550 DPHVDNKRKOGOJK-UHFFFAOYSA-N 435.553 5.121 30 10 IKEE CCCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(OC(C)(C)C)cc1 2326733707 VILLOHUTSAQUJE-UHFFFAOYSA-N 426.561 5.722 30 10 IKEE CCSc1nnc(COc2cc(F)ccc2F)n1N=Cc1c(Cl)cccc1Cl 2327458017 SNJNBDNNZFEAGC-UHFFFAOYSA-N 443.306 5.436 30 10 IKEE COc1ccc(CCc2nnc(SCc3ccc(C)cc3)n2N=Cc2cccs2)cc1 2328570594 BIIFLQLSBTUJSK-UHFFFAOYSA-N 448.617 5.616 30 10 IKEE C=C(C)CSc1nnc(COc2cccc(C)c2C)n1N=Cc1cccc2ccccc12 2328846817 RHVRTMNTLYQQJS-UHFFFAOYSA-N 442.588 6.178 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2N=Cc2ccccc2F)cc1 2329385967 ZANYRIASRXNWAX-UHFFFAOYSA-N 444.579 6.108 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccccc1O 2329477955 PGVOQEIRGOUXJI-UHFFFAOYSA-N 446.551 5.391 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@@H](C)c3ccccc3)n2N=Cc2ccncc2)c1 2330132008 BHLPWZSXWCWCQU-FQEVSTJZSA-N 427.577 5.616 30 10 IKEE Cc1ccccc1CCC(=O)Oc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1 2330595233 MMWHPLOQYVFIMX-UHFFFAOYSA-N 446.546 7.096 30 10 IKEE Oc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2-c2cccs2)c(O)c1 2330604423 AECACFONQBFCEZ-UHFFFAOYSA-N 442.953 5.246 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OC(=O)CCc1ccccc1 2330676033 AJRUOSRHUDGXKC-UHFFFAOYSA-N 436.507 6.283 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(OC)c(OC(=O)Cc3ccc(C)cc3)c(OC)c2)c1 2330777198 LDMRDVGKJKLUGJ-UHFFFAOYSA-N 446.499 5.065 30 10 IKEE Cc1ccc(C=Nn2c(SCC(=O)Nc3cccc(C)c3C)nnc2C2CCCC2)cc1 2331030329 CUNRJBXSHMBSLP-UHFFFAOYSA-N 447.608 5.474 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OC(=O)Cc1ccc(C)c(C)c1 2331106161 QKGDFXNOCBSQGL-UHFFFAOYSA-N 436.454 5.634 30 10 IKEE Cc1ccccc1CSc1nnc(C(F)(F)F)n1N=Cc1c(F)cccc1Cl 2331115720 WWDKKMWREUPUMZ-UHFFFAOYSA-N 428.842 5.572 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)[C@H]3CCCO3)c(OCC)c2)cc1 2331201765 VNANCKZTCKTYGT-OAQYLSRUSA-N 444.911 5.118 30 10 IKEE COc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccc(C)cc2)cc1Cl 2331266142 RBUSFIRDGNDIFX-UHFFFAOYSA-N 436.891 5.538 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc([N+](=O)[O-])c1OC(=O)c1ccccn1 2331325040 AVKHBQZVRQSVAG-UHFFFAOYSA-N 446.459 5.121 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2OC)cc(OC)c1OC(=O)C(F)(F)F 2331376274 QEXZWPOHTIAXSM-UHFFFAOYSA-N 434.410 5.105 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1cccc(Cl)c1 2331376903 HTCFBNNOGHYTTG-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3)c(Cl)c2)c1 2331385248 NADZQZKQRQGTBA-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE Cc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2Cl)c1 2331416098 OPYYGJBLOIEKNS-UHFFFAOYSA-N 432.947 7.061 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(Nc2cccc(Br)c2)[C@H]1C(F)(F)F 2370240398 LNIYQMRWWUXDJI-YOEHRIQHSA-N 448.283 5.085 30 10 IKEE COc1cc(-c2cs/c(=N\Cc3ccccc3)n2N=C2CCCC2)cc(OC)c1OC 12311899 VUPIAUXBMNIBSZ-IZHYLOQSSA-N 437.565 5.121 30 10 IKEE O=C(O)c1ccccc1N/N=C1/C(=O)N(Cc2ccc(Cl)cc2Cl)c2ccccc21 20615714 PGQMKDPXUITHLU-LHLOQNFPSA-N 440.286 5.055 30 10 IKEE O=C1C[C@@H](c2ccccc2Cl)CC2=C1[C@H](c1cc(F)ccc1F)Nc1ccccc1N2 21250344 DBLYXEQZABJMMY-SXBQZSJRSA-N 436.889 6.598 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)NCc3cccc4ccccc34)ccc21 22508652 UBUXJEIRWYPPAU-UHFFFAOYSA-N 429.520 5.099 30 10 IKEE C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O[C@@H](O)C(Cl)(Cl)Cl 31541390 DNADMXUXHNLBKR-HSXTZPDUSA-N 435.819 5.592 30 10 IKEE biogenic,in-man Cc1ccc(/C=C2/Oc3cc(OC(=O)c4ccc(Br)cc4)ccc3C2=O)o1 34688521 ZSDMNPPEFCYRFQ-YBFXNURJSA-N 425.234 5.186 30 10 IKEE C=CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCCC)cc1OC 38609123 VQYGZQOUGLMLIG-HSZRJFAPSA-N 433.504 5.102 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1cccc(OCCC)c1 40080260 MKEHXAYGEVABQS-HSZRJFAPSA-N 437.536 5.171 30 10 IKEE O=C1/C(=C/c2ccc(-c3ccccc3)cc2)Oc2c1ccc(O)c2CN1CCCCCC1 41514404 ZGDBCTJTWUCVFS-ITYLOYPMSA-N 425.528 6.051 30 10 IKEE COc1cccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN([C@H](C)c2ccccc2)C4)c1 41646770 XTNKOWXBMVTCEP-YNJLWJOVSA-N 427.500 5.533 30 10 IKEE CC(/C=N\N=C1\S/C(=C\c2cccs2)C(=O)N1Cc1ccco1)=C\c1ccccc1 47138815 IVZXFHNYNAOJMB-NUQQURFKSA-N 433.558 5.903 30 10 IKEE COc1ccc(/C=C\C(=O)c2cccs2)cc1COc1ccccc1Cc1ccccc1 96577739 JAVKPTJWVRWIQX-SQFISAMPSA-N 440.564 6.823 30 10 IKEE O=C(/C=C\c1ccc(-c2ccccc2Br)o1)c1ccc(N2CCOCC2)cc1 96767041 HHYLNDUEXQCOKD-LUAWRHEFSA-N 438.321 5.442 30 10 IKEE COc1cccc(/C=C2\S/C(=N\c3cccc(C)c3)N(c3cccc(C)c3)C2=O)c1OC 101015680 JAXRSSMZBUXJTA-JXKYSLRESA-N 444.556 6.129 30 10 IKEE Cc1ccc(/C=N/N=C2\c3ccccc3C(=O)[C@@H]2C(=O)C(c2ccccc2)c2ccccc2)o1 104104707 FKVYXZYTHRLFEK-XDPLBNHTSA-N 446.506 5.625 30 10 IKEE N#C[C@@H](C(=O)/C=C/c1ccc(Br)s1)C(=O)Nc1cccc2ccccc12 105263185 UIWARGPXXAQQLB-DZZUKKPASA-N 425.307 5.025 30 10 IKEE N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cnc(-c3cccs3)s2)cc1 110621503 MBPBMJKWXSTDRS-UHFFFAOYSA-N 433.533 5.725 30 10 IKEE CCCCCCCCCOc1ccc(-c2[nH]nc3c2N2CCC3CC2)cc1Br 169940368 YWTCMRXHBJQKAK-UHFFFAOYSA-N 446.433 6.666 30 10 IKEE COc1ccc(/C=N\Nc2nc(-c3ccc(C)cc3C)cs2)c(Br)c1O 169942296 AFPKNBNCKFGGPG-NKVSQWTQSA-N 432.343 5.350 30 10 IKEE CC(C)Oc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2)cc1 170053745 NZXDJTHLXRLKEF-HSZRJFAPSA-N 431.463 5.396 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(Cl)cc1)c1cc2ccccc2o1 170056716 PTFOAFIYFNSHQN-NRFANRHFSA-N 449.915 5.926 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(O)cc1)c1cc2ccccc2o1 170131633 AJLCTLBLPUQNHO-JOCHJYFZSA-N 429.403 5.060 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1ccc(OC(C)C)cc1 170151852 LVGPCCNPHVVZRX-QHCPKHFHSA-N 437.536 5.169 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccncc2)cc1C 170204204 SASZSYHVOAAFSH-QFIPXVFZSA-N 448.906 5.225 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@H]1c1ccncc1 170205446 IONLOPBROJLKTO-QHCPKHFHSA-N 442.515 5.107 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2OC)[C@@H]1c1cccc(OCC(C)C)c1 170219062 YRWRHICNRGNYOH-QHCPKHFHSA-N 437.536 5.027 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccc(Cl)cc1 170236827 INRGSJZNLZJMPM-IVZQSRNASA-N 439.939 5.432 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccccc1F)c1cccc2ccccc12 170250838 DTBPUMIWMGNGOY-XMMPIXPASA-N 438.458 5.152 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2C2CCCCC2)cc1 170266585 CVOJOIVBUPOZTA-DEOSSOPVSA-N 429.516 5.906 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccco1 170284072 QOPMSFVJSPELIK-HSZRJFAPSA-N 443.886 6.178 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]2c2ccco2)c(C)c1 170288177 KFIRXUYUYYDRQD-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@H]1c1ccco1 170294353 PEMYIIUBOCBDDM-XMMPIXPASA-N 445.515 5.545 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccc(C)o2)cc1C(C)C 170300352 KVOCVNXJUBARQS-XMMPIXPASA-N 445.515 5.811 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2c2ccccc2C)o1 170305469 LXNCEHBKZQGMBT-XMMPIXPASA-N 427.500 5.558 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(C)o2)cc1 170311261 AQESBOWCJNOHPX-HSZRJFAPSA-N 449.478 5.294 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(O)c(Cl)c2)cc1 170367641 SBEJAELYQIIETJ-JOCHJYFZSA-N 433.891 5.391 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2sccc2C)cc1Cl 170405706 MPGWTBBHCCAVEQ-LJQANCHMSA-N 439.920 5.501 30 10 IKEE Cc1cccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(C(=O)OCC(C)C)cc2)c1 170460873 KHDQANMYJKXYFT-QFIPXVFZSA-N 449.547 5.323 30 10 IKEE N#Cc1ccc(CSc2nnc(NC(=O)/C=C\c3cccc(C(F)(F)F)c3)s2)cc1 207655581 RKXJSPWLBLKBNY-HJWRWDBZSA-N 446.479 5.373 30 10 IKEE CC1=NN(C(=Nc2nnc(C)s2)N2CCc3ccccc3C2)[C@H](c2ccc(C)cc2)S1 252621055 MRYZLGGBZOLKEJ-NRFANRHFSA-N 448.621 5.282 30 10 IKEE C=CCn1c(SCCC(=O)Nc2cccc(C)c2)nnc1-c1ccc2ccccc2c1 253572856 QRQPBCZNNIMQQM-UHFFFAOYSA-N 428.561 5.714 30 10 IKEE Sc1nnc(-c2ccco2)n1N=Cc1ccc(COc2cccc(Cl)c2Cl)o1 254789412 QNBGBMPQDRWLHJ-UHFFFAOYSA-N 435.292 5.188 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@H]1Nc1ccc(C#N)cc1Br 312142488 DDJHZUILFCPVCQ-SZVBFZGTSA-N 434.378 5.301 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccc(F)c2)c1 526517860 XILVBDZAWJJETF-XMMPIXPASA-N 428.463 5.543 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(OC)cc2)cc1 526517989 XPEPUTWUWXPKJL-XMMPIXPASA-N 426.472 5.023 30 10 IKEE Clc1ccccc1CSc1nnc(CCc2ccccc2)n1/N=C\c1ccccn1 526817579 ZUEHODYMDCWLAF-QQXSKIMKSA-N 433.968 5.286 30 10 IKEE FC(F)(F)c1ccc(/C=N\n2cnnc2SCc2ccc(Cl)cc2Cl)cc1 526823847 WRCTYGGAVKNXLU-GYRAYZOKSA-N 431.270 5.778 30 10 IKEE CCCCCCCCC[C@H](O)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 697002692 IZFADOPGODQRID-IBGZPJMESA-N 428.411 6.970 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)CC1(C)C 698869195 KJDLNISXUPWAQS-DEOSSOPVSA-N 447.551 5.639 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@H](C#N)c1cccc(Br)c1Cl 706510324 JJSQQZQVMPUTOA-KRWDZBQOSA-N 441.797 6.627 30 10 IKEE CN(C)c1ccc(/C=C\C=NN=C2CC[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]23C)cc1 885859693 KJCIEPRMJJUJPF-FZWYHSSISA-N 445.695 7.625 30 10 IKEE CCOc1cc(C=NNCc2ccccc2OC)cc(Cl)c1OCc1ccc(C#N)cc1 1084544587 CIZDFBAKYNMNMK-UHFFFAOYSA-N 449.938 5.322 30 10 IKEE Clc1cc(Cl)c(OCC#CCOc2c(Cl)cc(Cl)cc2Cl)c(Cl)c1 1614688850 RHKFRGGEQKZCJO-UHFFFAOYSA-N 444.956 7.068 30 10 IKEE Cc1ccccc1C=NN=C1S/C(=C\c2ccc(Cl)cc2)C(=O)N1Cc1ccco1 1772757106 LXTRFIAHLLSXRW-JWZGDWNOSA-N 435.936 5.748 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@@H](C)CC 1861126016 MRPQJSJWEIDQIY-JAPWLKCZSA-N 445.604 5.396 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)[C@H](C)Oc1ccccc1C(C)C 1861655587 XKTHQDUINHWVKR-GMAHTHKFSA-N 432.649 5.729 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(F)cc1F 1862380410 BRQPBNJGRWSMGJ-KRWDZBQOSA-N 426.246 5.258 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(N(C)C)cc1 1862380988 PBRKIIUPVMLPNY-IBGZPJMESA-N 433.335 5.046 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(C(=O)O)cc1 1862384340 RUVRGKKEUYGUCH-GOSISDBHSA-N 448.302 5.070 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2[C@@H](C)CC)c1 1862450031 XZYMMQAWDNODHM-YCRPNKLZSA-N 427.928 5.506 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(OC)c(OC)c1 1862451029 VPILYWLUVFHZBG-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(C(F)(F)F)cc1 1862451118 XGMVKLRHVBARMG-GOSISDBHSA-N 437.845 5.593 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCc2ccccc2)cc1 1862474276 LYBWRUDBTJTOTB-AREMUKBSSA-N 439.555 5.769 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2cccc(Br)c2)c1 1862496909 XDLNGFVICRQREX-HXUWFJFHSA-N 442.353 5.300 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCOC(C)C)cc1 1862615047 HFNFEOPQDJIGGJ-XMMPIXPASA-N 449.591 5.550 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccccc2F)cc1 1862662076 HAIKQFLSNLKCPZ-VXWZWFMZSA-N 435.539 6.106 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CC(C)C)cc1 1862668233 UGTDAGPJFHFPKS-VWLOTQADSA-N 448.607 5.891 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cc(C)ccc2C)c1 1862674016 RGNKCLQALXCXHS-DEOSSOPVSA-N 445.490 5.230 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)c1 1862676505 KNNAOZUHNWGZNE-XORNHQRDSA-N 437.511 5.381 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862713394 NUSIOAXMYJVQEI-HHHXNRCGSA-N 447.534 6.235 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccccc3C(C)(C)C)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1863029726 IQECTBAXWZAAIN-UHFFFAOYSA-N 449.554 5.869 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(OC)cc2)C1=O 1863336983 SMWFAGZVLMWUOL-UHFFFAOYSA-N 431.536 5.119 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3cc(C)ccc3[C@H]2CC(C)C)nc(C(C)(C)C)n1 1869181023 FCGPVXPLVZUZHH-XMMPIXPASA-N 432.656 6.411 30 10 IKEE CCCCCCCOc1cn(CCC(C)C)c(CSc2ccc(Cl)cc2)cc1=O 1870251371 GDPAKUPNQWYORR-UHFFFAOYSA-N 436.061 7.189 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)OC)c(=O)cc1CSc1ccccc1 1870265025 HSRMURSBEMDSCF-UHFFFAOYSA-N 445.625 5.833 30 10 IKEE CCCCCCCOc1cn(CCc2ccc(F)cc2)c(CN2CCC[C@H](C)C2)cc1=O 1870412871 LQKAKIBIKYNOSB-QFIPXVFZSA-N 442.619 5.811 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(-n5cccc5)cc4)cc(C)c3C2=O)cc1 1871383473 BZAURKYJFOGURR-ONUIUJJFSA-N 449.506 6.184 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871387308 NZCNSHNDYVGFAV-HMAPJEAMSA-N 434.875 5.883 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OCCCCOc3ccccc3C)ccc2C1=O 1871404723 PHSULNKCCRXHFL-ONUIUJJFSA-N 430.500 5.858 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccco1)C2=O 1871413716 NXLXGZYISYROKJ-RANIVTSPSA-N 437.879 5.572 30 10 IKEE COC(=O)c1cccc(COc2ccc3c(c2C)O/C(=C\c2cccc(Cl)c2)C3=O)c1 1871416246 SPQOVNNQTBQFRQ-XKZIYDEJSA-N 434.875 5.630 30 10 IKEE COC(=O)c1ccc(Oc2c(C)oc3cc(OCc4ccc(C#N)cc4)ccc3c2=O)cc1 1871417887 UWWOGKFEEUDWPK-UHFFFAOYSA-N 441.439 5.131 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O 1871433741 PKKFPQZUHNSRGW-XUVWKZFSSA-N 442.939 6.237 30 10 IKEE Cc1cc(OCc2ccccc2C#N)cc2c1C(=O)/C(=C/c1cccc(Br)c1)O2 1871437029 GJGYCNCGLMVNIA-JJFYIABZSA-N 446.300 5.824 30 10 IKEE Cc1cccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)c1 1871456632 OISQUORZQORCRG-ORSAQNTLSA-N 425.484 5.493 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1cccs1 1872299804 LERLYYOWBCUCCH-GOSISDBHSA-N 441.018 5.084 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(Cl)cc3Cl)n2)cc1 1872768235 NLSKFDFEWNSHCY-WGLAMXGCSA-N 443.355 6.405 30 10 IKEE COc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1 1872779292 GQSVJEFYZVULMI-YVWYTEFXSA-N 446.572 6.149 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@H](C#N)C(=O)[C@@H](C)Oc2ccc(Cl)cc2)n1 1872780460 IVVPVKKMOFPJQX-DNVCBOLYSA-N 440.952 5.733 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)[C@@H](C#N)c1nc(-c2c(C)cc(C)cc2C)cs1 1872786103 DLQFFPPTKLSFQG-CQSZACIVSA-N 445.371 6.541 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@@H](C#N)C(=O)/C=C/c2ccccc2Cl)n1 1872788468 JAECUMFKCABZOK-BVBGJJFLSA-N 429.328 6.015 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@@H](C#N)C(=O)/C=C/c2cccc(Cl)c2)n1 1872788931 UNCFPKCSTNICQP-UABRLCRWSA-N 429.328 6.015 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H]2CCCC[C@@H]2C)=C(c2ccccc2Cl)C1=O 1873031740 MHIAUDGLHQTQRW-GHTZIAJQSA-N 431.020 5.949 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(C(C)(C)C)cc2)=C(c2c(Cl)cccc2Cl)C1=O 1873289299 GVLAWFFLGSJCTP-UHFFFAOYSA-N 429.347 5.669 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(OC)c(OC)c2)=C(c2ccccc2)C1=O 1873415039 GNNZTAPIKGASLP-UHFFFAOYSA-N 436.552 5.256 30 10 IKEE C=CCn1c(C(=O)Nc2ccccc2CC)cc2c(NCCc3ccc(C)cc3)ncnc21 1873616746 FJERQSHYDHVPRC-UHFFFAOYSA-N 439.563 5.395 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc(O)c(O)c1 1874232642 ZCVWPLGYMQUDBX-CVKSISIWSA-N 444.560 5.178 30 10 IKEE Oc1ccccc1/C=N/n1c(CCc2ccccc2Cl)nnc1SCc1ccccc1 1874279135 VRNHIPMWBBPWSZ-WGOQTCKBSA-N 448.979 5.597 30 10 IKEE COc1ccc(OCc2nnc(SCc3cc(C)ccc3C)n2/N=C/c2ccco2)cc1 1874293788 UXTPYXHBBAGEKE-AFUMVMLFSA-N 448.548 5.250 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2ccccc2)n1/N=C/c1cccs1 1874299858 WTYGMQLGQAQEFU-ZVHZXABRSA-N 434.590 5.710 30 10 IKEE Cc1cccc(CSc2nnc(COCc3ccccc3)n2/N=C/c2ccc(F)cc2)c1 1874354129 SOROPHQBGLUAGP-JFLMPSFJSA-N 446.551 5.617 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1ccc(O)c(OCC)c1 1874358675 UPJHBTXOFDXHSM-AFUMVMLFSA-N 436.581 5.140 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cc(C)ccc3C)n2/N=C/c2ccc(O)cc2)cc1 1874388983 FSRHVGATAKWJGV-JVWAILMASA-N 442.588 5.674 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCCC)cc1 1874408613 GKAZZPAGAYDCAX-NCELDCMTSA-N 428.646 6.354 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2cccc3ccccc23)c1 1874415845 KRNCIKVWXPAQLS-VUTHCHCSSA-N 448.595 6.505 30 10 IKEE CCOc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 1874416599 YMOZUDBKYBWZMX-WPWMEQJKSA-N 446.551 5.581 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2C2CCCC2)c1 1874451767 OGJSTPBCQYOXOZ-YZSQISJMSA-N 434.609 6.207 30 10 IKEE Cc1ccccc1CSc1nnc(C2CCC2)n1/N=C/c1c(Cl)cccc1Cl 1874495096 UNYQATJASYKHOV-WYMPLXKRSA-N 431.392 6.335 30 10 IKEE CCSc1nnc(CC)n1/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1874524829 ILCWGXZJPKUVNP-FSJBWODESA-N 435.380 5.721 30 10 IKEE C=CCOc1c(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(Br)cc1OC 1874572068 VDXKXHWBJLYUJP-ZHACJKMWSA-N 427.338 5.797 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(C)cc2)c1OCC(=O)Nc1nccs1 1874579412 LWUNBVZJOSOAEA-BQYQJAHWSA-N 442.924 5.027 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(C(C)C)cc2)c1OCc1ccc(C)cc1 1874584091 WCTVMWMELDBAMG-BUHFOSPRSA-N 434.963 7.256 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cccc(OC)c2OCCc2ccccc2)c1 1874587283 DXXSCLMZGNFKBF-JQIJEIRASA-N 446.543 6.010 30 10 IKEE CCCOc1c(/C=C/C(=O)c2ccc(OC)c(Cl)c2)cc(Br)cc1OC 1874591196 XKZCQBGMBPFNPT-FNORWQNLSA-N 439.733 5.805 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OCc2cccc3ccccc23)c1 1874600886 IEONIERYEFICLT-WYMLVPIESA-N 428.915 6.977 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccc2ccccc2c1 1874603293 NDMNWWZISCHNAX-UKTHLTGXSA-N 443.886 6.877 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OCC(=O)N[C@@H](C)c1ccccc1 1874614928 XPWLOIKWPACRFD-VISDOYDDSA-N 429.516 5.238 30 10 IKEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1Cl 1874626428 FCCHODUFJDXUIQ-DHZHZOJOSA-N 429.944 5.109 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)cc(Br)c1OC 1874636330 VYJYNTGHWCDHFJ-FNORWQNLSA-N 425.706 5.415 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1OC(=O)Cc1ccc(C)cc1 1874705790 ABGLFXMLIRJQSF-MHWRWJLKSA-N 442.555 6.345 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2cccc(OC(=O)C34CC5CC(CC(C5)C3)C4)c2)cc1 1874709545 GTDKCLOWWUWLLX-IZZDOVSWSA-N 428.572 6.828 30 10 IKEE CCCOc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(F)c(F)c3)c2)cc1 1874710257 YWNCPWGTDPYPTF-MDWZMJQESA-N 436.454 5.798 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cccc(OC(=O)c2c(F)cccc2Cl)c1 1874713067 FDBQWOCOBQRBMH-ZHACJKMWSA-N 438.882 6.220 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3cccc(OC)c3)c(Cl)c2)cc1 1875099904 FDKCEBWZHDCIND-NTEUORMPSA-N 448.946 6.345 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)c(C)c3)c([N+](=O)[O-])c2)cc1 1875100432 FIYLAWWSROBBOC-UKTHLTGXSA-N 443.499 5.818 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Br)c2)ccc1OC(=O)CC(C)(C)C 1875115821 XCUKLQHNHTVPOK-PKNBQFBNSA-N 445.353 6.086 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2Cl)c(Br)c1)c1ccccc1 1875128084 MFVRHJUUENHFGN-ZRDIBKRKSA-N 441.708 6.218 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)Cc1ccccc1Cl 1875128950 CSAVYGNDNVABOZ-CCEZHUSRSA-N 446.930 6.121 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1Cl 1875131575 FDCDVKXLANWEAV-FMIVXFBMSA-N 434.919 6.010 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)COc1cccc(C)c1C 1875134007 ILNMBOBKGHPNRM-JLHYYAGUSA-N 444.527 5.809 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3OC)cc2[N+](=O)[O-])c1 1875142942 AYGHANYZGTXEAX-CSKARUKUSA-N 447.443 5.036 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C(F)(F)F)cc3)cc2)cc1F 1875152756 RDAKMZDTAXJXKY-UUILKARUSA-N 444.380 5.968 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)COc1ccccc1 1875156798 IRGPORUNPXNLIM-MHWRWJLKSA-N 444.527 6.089 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)[C@H]1CCCO1 1875190062 BHPGXHMYUVTZKZ-MVHVFESUSA-N 435.303 5.373 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC(C)C)c([N+](=O)[O-])c2)c2ccccc12 1875192275 CYLKXUTWJKDSAF-DHZHZOJOSA-N 433.460 5.604 30 10 IKEE C=C(Cl)COC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC 1882298220 ONRRUVYYPPAOSG-OYHNWAKOSA-N 427.928 5.236 30 10 IKEE COC(=O)c1cc(N=[N+]=[N-])cc(N(C)C(=O)OCC2c3ccccc3-c3ccccc32)c1 1887521729 HBEDNHHJAKQOSF-UHFFFAOYSA-N 428.448 5.800 30 10 IKEE C=CC[C@@H](C)SC(C)(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1892320719 KSODNRGGQYQYHR-ZHRRBRCNSA-N 439.577 5.455 30 10 IKEE C=C[C@@]1(Oc2cc(Br)ccc2C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1 1903493576 BKUAOSUGNLVGMB-QGZVFWFLSA-N 436.268 5.412 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@](C)(NC(=O)OC(C)(C)C)c1ccccc1 1922066806 WVOYRHMSNJYCQA-SQHAQQRYSA-N 438.612 5.568 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1C[C@@]12CCCN(C(=O)OC(C)(C)C)C2 1922101848 ZORWFMOKIHMNHP-MVERNJQCSA-N 428.617 5.165 30 10 IKEE C=CCC1(NCc2c(C)sc(C)c2Br)CCN(C(=O)OC(C)(C)C)CC1 1924541029 GNUJKWWBROFLRH-UHFFFAOYSA-N 443.451 5.563 30 10 IKEE C[C@H](S)CCC(=O)Nc1cc(Br)c(Br)c(Br)c1 1946433172 UCXGMQKVKUITRG-LURJTMIESA-N 446.002 5.011 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@]1(C#N)CCN(Cc2ccccc2)CC1(C)C 1949298591 DXTFRVDMXVBOBU-RUZDIDTESA-N 439.625 5.680 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H]([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 1993188654 OUULTTYMOJVMBT-YJBOKZPZSA-N 435.952 5.231 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)C2(CCCC2)C1 2018644363 BSZPEERNGCNWDZ-MHECFPHRSA-N 435.609 5.628 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)[C@@H]1C(C)(C)C 2020139338 LMVBPBPBWYCRSW-GAJHUEQPSA-N 449.617 5.413 30 10 IKEE C[C@@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)[C@@H](OCc2ccccc2)C1 2043772321 ISJXKSBTCUSRTH-BLFHIAQRSA-N 438.543 6.235 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)c(C)c(Br)c1)NCC 2063098874 KPXBIJCLRGHVIS-SJORKVTESA-N 431.802 5.011 30 10 IKEE CC(C)(C)OC(=O)NC1CC2(CC[C@]2(C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)C1 2064203939 WBEYDSKZSKGHSQ-IYLPNUTASA-N 445.535 5.297 30 10 IKEE CC(C)c1nn(Cc2ccc(C(F)(F)F)cc2F)c(C(F)(F)F)c1Br 2079041311 XLVHTMPMCJYMCR-UHFFFAOYSA-N 433.165 5.994 30 10 IKEE CC[C@H]1CC[C@@H](Nc2cc(Br)c(C#N)cc2F)CN1C(=O)OC(C)(C)C 2105984118 VGUBIFIWZCPXSM-KGLIPLIRSA-N 426.330 5.050 30 10 IKEE C[C@@H](Nc1ccc(C#N)c(Br)c1F)c1csc(NC(=O)OC(C)(C)C)n1 2114324716 MULPTGVWJKFURL-SECBINFHSA-N 441.326 5.436 30 10 IKEE CN[C@@H](CC#CC1CCCCC1)c1cc(I)ccc1Br 2149863614 CLXYDGPUHKZZAG-KRWDZBQOSA-N 446.170 5.288 30 10 IKEE C=CCN(CC[C@H](NCCC)c1c(F)cc(Br)cc1F)C(=O)OC(C)(C)C 2155516924 OUGXJLPKWVDARH-KRWDZBQOSA-N 447.364 5.581 30 10 IKEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(Nc2cc(Br)c(C#N)cc2F)cc1 2162316306 JUXSHHPYSAEGLS-GFCCVEGCSA-N 434.309 5.789 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1c1ccc(Nc2cc(Br)ccc2C#N)cc1 2162386700 FYCSQBIEKKJZBE-IEBWSBKVSA-N 428.330 5.445 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 2213338165 YXUBNUSRMYLIIH-IMWIBFENSA-N 435.609 5.199 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Br)cc1Cl 2222741143 VVNUVFHTYSKZFJ-DLBZAZTESA-N 431.802 5.613 30 10 IKEE C=C([C@@H](NCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)C(C)(C)C 2237417109 KYULJMWHRMGCRY-RBUKOAKNSA-N 439.438 5.465 30 10 IKEE CCc1ccc(C#C[C@H](N)c2cc(NC(=O)OC(C)(C)C)ccc2Br)cc1 2239638802 RRJGQYXAJNRARY-FQEVSTJZSA-N 429.358 5.410 30 10 IKEE CCc1ccc(C#C[C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1 2239644905 GPACSFSQHIRVQQ-LJAQVGFWSA-N 448.562 6.492 30 10 IKEE CC1(C)OB(c2cc(N(Cc3ccccc3)Cc3ccccc3)ccc2[N+](=O)[O-])OC1(C)C 2241491196 QMIREYZPIVMNEB-UHFFFAOYSA-N 444.340 5.101 30 10 IKEE CCCN[C@H](CC#CC(C)(C)C)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2256696633 NREVPCGGVOPQRA-HSZRJFAPSA-N 442.644 5.248 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1sc(Cl)cc1Br 2259913474 GGKYSRRGMYBMNF-CQSZACIVSA-N 441.778 6.479 30 10 IKEE CCCN[C@H](C#CC1CCCCC1)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2260981972 QQSFNDZJMBDWKK-NQHRYMMQSA-N 442.644 5.437 30 10 IKEE N[C@H](C#Cc1cccc(Br)c1)c1cc(Br)c(Br)s1 2264122515 VBMZOBFORKRGSB-LLVKDONJSA-N 449.993 5.087 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)C(C)(C)[C@@H](CC)NC(=O)OC(C)(C)C 2296296863 SKQOTVGXPAITOB-RTBURBONSA-N 437.422 5.108 30 10 IKEE CCCC[C@@H](C[C@H](C#Cc1ccc(Br)cc1)NCC)NC(=O)OC(C)(C)C 2296299742 YUZTYJWXTQTFDW-PMACEKPBSA-N 437.422 5.252 30 10 IKEE CCOc1ccc(N=C2SC(=Cc3c[nH]c4ccccc34)C(=O)N2C2CCCCC2)cc1 2297462795 KNLCQTIEBLYWRY-UHFFFAOYSA-N 445.588 6.503 30 10 IKEE COc1ccc(C=C2Oc3c(ccc4c3[C@H](c3ccc(C(C)C)cc3)CC(=O)O4)C2=O)cc1 2297596321 REPYETNVMPJALL-QFIPXVFZSA-N 440.495 5.876 30 10 IKEE O=C(C#Cc1nccs1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2300809594 OBFGLVOBYBWLBN-UHFFFAOYSA-N 425.509 5.536 30 10 IKEE C=CCOc1ccc(C=C2SC(=Nc3cccnc3Cl)N(c3ccccc3)C2=O)cc1 2314540341 OEZGSSVGOSZJKY-UHFFFAOYSA-N 447.947 6.108 30 10 IKEE O=C1C(=Cc2cccc(Cl)c2)SC(=Nc2cccnc2Cl)N1c1ccccc1 2314540473 QQBIAGPMULMEQJ-UHFFFAOYSA-N 426.328 6.197 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CC2)cc1O 2320892213 BPHSFRZQJIJXBZ-UHFFFAOYSA-N 449.363 5.351 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(F)cc1F 2321020507 WGIPKJUNYKWEGN-UHFFFAOYSA-N 427.307 5.600 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc4c3CN(Cc3ccccc3OC(C)(C)C)CO4)C2=O)o1 2321906980 QYSCJWPYXYKUCZ-UHFFFAOYSA-N 445.515 5.734 30 10 IKEE Cc1ccccc1CCc1nnc(S)n1N=Cc1ccccc1OCc1ccccc1 2321993802 HDWMZWKAECBDHN-UHFFFAOYSA-N 428.561 5.122 30 10 IKEE CCCCCCCCCCN1COc2c(cc3c(c2C)OC(=Cc2ccc(C)cc2)C3=O)C1 2322391078 WKLMSJWKNBAJAV-UHFFFAOYSA-N 447.619 7.212 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2c(C)cccc2C)c1 2322617435 HLKCKHBZHIYSOD-UHFFFAOYSA-N 447.962 6.487 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 2323260236 JZEPABSFAGJHQD-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCc3c(Cl)cccc3Cl)c2)c(OC)c1 2323283429 LZJCECZRTMENPQ-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE CCOc1cc(C=NS(=O)(=O)c2ccc(C)cc2)ccc1OCc1cccc(Cl)c1 2323446898 WEPSDICLAQGZHE-UHFFFAOYSA-N 443.952 5.434 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OCCc3ccccc3)c(OC)c2)cc1C 2323557665 OLZHDOQPPXRGLL-UHFFFAOYSA-N 436.935 6.183 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cccc(C)c3C)c(OC)c2)cc1 2323648419 ALDULIDIVWRLMD-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(C)cc2)C3=O)c1 2323839526 XUNYDQZCMOSACM-UHFFFAOYSA-N 428.484 5.928 30 10 IKEE COc1cc(Br)cc(C=NNc2nc(-c3cccs3)c(C)s2)c1OC 2323854781 ZZTJUXXZPVQSAG-UHFFFAOYSA-N 438.372 5.406 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Cl)c1OCc1ccc(F)cc1 2323979089 ZZWLGLRXCWKIJM-UHFFFAOYSA-N 442.889 6.800 30 10 IKEE O=C1C(=Cc2ccco2)Oc2c1ccc(O)c2CN(Cc1ccccc1)Cc1ccccc1 2324054991 ADCPWCOAZDUTOZ-UHFFFAOYSA-N 437.495 5.804 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 2324158591 AKCDPZMYDRKMLD-UHFFFAOYSA-N 435.907 6.847 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(OC)c1OCCc1ccccc1 2324261362 XALVTGXJBNJHCZ-UHFFFAOYSA-N 434.482 6.220 30 10 IKEE CCCOc1c(Br)cc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1OCC 2324306632 DWSDEURZJLYLCA-UHFFFAOYSA-N 447.369 6.158 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2F)C3=O)c1 2324456125 ZDDIRXHIXFQAAU-GOSISDBHSA-N 445.490 5.773 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccccc2C)C3=O)c1 2324463884 VGZCZYLAMTWPMK-HXUWFJFHSA-N 441.527 5.942 30 10 IKEE CCCC[C@@H](Oc1cc(C)c2c(c1)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O)C(=O)O 2324784620 MISANKWMBRTVOG-HSZRJFAPSA-N 442.511 6.300 30 10 IKEE CC(=O)c1cccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2)C3=O)c1 2324825935 JUIVJEJGXNUSGQ-SFHVURJKSA-N 441.483 5.220 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)Nc2nc3ccccc3s2)cc2c1C(=O)C(=Cc1ccco1)O2 2325421854 TXKRKNYQHKVVQG-AWEZNQCLSA-N 446.484 5.220 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cc(OC)cc(OC)c3)c2)cc1 2325704331 RFLROEKYZLSERM-UHFFFAOYSA-N 446.499 5.390 30 10 IKEE COc1ccccc1C=C1Oc2cc(OCC(=O)Nc3cccc(Cl)c3)cc(C)c2C1=O 2325717244 YIRJPFRRDXEYBY-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)CCc3ccccc3OC)c2)cc1 2325734979 BZDOMPRNGXKLRE-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE O=C(CC1CCCCC1)Oc1cccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)c1 2325754672 BAJIOBCRCJFGAR-UHFFFAOYSA-N 440.539 7.251 30 10 IKEE CCCSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1cc(Cl)ccc1O 2327210802 CHHHVESVUOZULL-UHFFFAOYSA-N 444.988 5.341 30 10 IKEE C=CCSc1nnc(CCc2ccccc2Cl)n1N=Cc1c(F)cccc1Cl 2327975019 VGNXIGDFCQKKRY-UHFFFAOYSA-N 435.355 5.670 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1ccc(OCCC)cc1 2328179245 GXXRSPLLQPXYIV-UHFFFAOYSA-N 440.657 6.691 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2N=Cc2cn(C)c3ccccc23)CC1 2328187101 STYXUAKDJPLDFQ-UHFFFAOYSA-N 437.657 6.618 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2ccc(O)cc2)c(C)c1 2328897860 PWCUHLFYJJUJJW-UHFFFAOYSA-N 444.560 5.354 30 10 IKEE C=CCSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1ccccc1OC(C)C 2328961715 VUMKNYZEUQQGPT-UHFFFAOYSA-N 434.609 5.628 30 10 IKEE COc1ccc(Cc2nnc(SC)n2N=Cc2ccc(OCc3ccccc3)cc2)cc1 2329241354 SVUUHHUWULJMOF-UHFFFAOYSA-N 444.560 5.061 30 10 IKEE C=CCSc1nnc(COCc2ccccc2)n1N=Cc1ccc(C(F)(F)F)cc1 2329351736 UDVHDYGNKSJHCT-UHFFFAOYSA-N 432.471 5.174 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(F)c3)n2N=Cc2cc(C)ccc2O)cc1 2329961274 JCNOXKCYBGVFMZ-UHFFFAOYSA-N 446.551 5.505 30 10 IKEE Cc1ccc(CSc2nnc([C@@H](C)c3ccccc3)n2N=Cc2ccccc2O)cc1 2330050133 DJCNUHCMMLXCDS-IBGZPJMESA-N 428.561 5.618 30 10 IKEE C=C(C)CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1ccc(Cl)c(Cl)c1 2330103617 MVLIZWJPMKUDOH-OAHLLOKOSA-N 431.392 6.287 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(CC3CCCCC3)n2N=Cc2ccccc2)cc1 2330246009 JOGGSOGJUWJYNW-UHFFFAOYSA-N 447.608 5.322 30 10 IKEE Clc1ccccc1CSc1nnc(CC2CCCCC2)n1N=Cc1ccncc1 2330273598 KCVLABJJYNRCTH-UHFFFAOYSA-N 425.989 5.624 30 10 IKEE Cc1ccccc1C=Nn1c(Cc2cccs2)nnc1SCc1ccccc1Cl 2330393783 QLKDYGIRRGRFMC-UHFFFAOYSA-N 439.009 6.067 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)C=Cc1ccccc1[N+](=O)[O-] 2330649062 JAXRAPGQAXDZER-QFIPXVFZSA-N 445.604 5.540 30 10 IKEE CCOc1cccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccccc2Cl)c1 2330849617 ZNUPHXVYZZWAGE-UHFFFAOYSA-N 443.016 6.093 30 10 IKEE CCOc1cccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccc(Cl)cc2)c1 2330867356 ZWIGZYGEQSFZHV-UHFFFAOYSA-N 443.016 6.093 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@H]3CCCO3)n2N=Cc2cccc3ccccc23)c1 2330961659 RMAMLNRHXJATGJ-XMMPIXPASA-N 442.588 6.074 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2-c2ccco2)cc1 2331183237 HGJVVHMQBDMSMB-UHFFFAOYSA-N 445.592 5.867 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(C=CC(=O)c3ccc(OCCC)cc3)cc2)CC1 2331295557 BKZCWQIGVIZHAJ-UHFFFAOYSA-N 448.603 7.274 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Br)c1OC(=O)C(C)(C)C 2331344150 SYPIJHUVXDIWMQ-UHFFFAOYSA-N 449.316 5.753 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)c(F)c3F)cc2)cc1 2331411670 AFRAZAAYFSGUDQ-UHFFFAOYSA-N 438.445 6.517 30 10 IKEE COc1ccc(C=Nn2c(CC(C)C)nnc2SCc2cccc3ccccc23)cc1O 2331464134 BHSDATASSQHOFK-UHFFFAOYSA-N 446.576 5.519 30 10 IKEE COc1ccc(C=Nn2c(CC(C)C)nnc2SCc2cccc(Cl)c2)c(OC)c1 2331469850 CDUHVSMWWJYQPC-UHFFFAOYSA-N 444.988 5.322 30 10 IKEE COC(=O)c1ccc(CSc2nnc(C3CCC3)n2N=Cc2cccc3ccccc23)o1 2331529067 DWOULBNSLNLJAO-UHFFFAOYSA-N 446.532 5.253 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(C)c3C)cc2)c1 2331612414 SNNLZSFAMXOBME-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE Cc1cc(CNc2ccc(OCc3ccccc3)cc2)ccc1B1OC(C)(C)C(C)(C)O1 2343663064 USEGARVDYJPZEH-UHFFFAOYSA-N 429.369 5.485 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](O)c2c(C)c(C)c(Br)c(C)c2C)C1 2372260277 WBCWPRXOYSOHPY-LJQANCHMSA-N 438.406 5.577 30 10 IKEE O=C1/C(=C/c2ccc(F)c(F)c2)CN(Cc2ccccc2)C/C1=C\c1ccc(F)c(F)c1 12564521 PDYHCWPXGVXJJG-CLVAPQHMSA-N 437.436 5.795 30 10 IKEE CC(C)CCOc1ccccc1C(=O)NC(=S)Nc1sc2c(c1C#N)CCCC2 14034129 HHEVWXMHIAQUNB-UHFFFAOYSA-N 427.595 5.050 30 10 IKEE CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(CC)cc2)C3)cc1 21259903 JUUOYHNSLYRLFQ-MNNSJKJDSA-N 438.571 6.627 30 10 IKEE CCCCSc1nnc2c(n1)O[C@@H](c1ccccc1C#N)N(C(C)=O)c1ccc(C)cc1-2 32997459 IEABAEFDIMPRSQ-QHCPKHFHSA-N 445.548 5.055 30 10 IKEE O=C(/C=C\c1ccc(Cl)cc1Cl)c1cc(Cl)ccc1OC(=O)N1CCOCC1 33442488 DKVHLNFWHOMDQL-DJWKRKHSSA-N 440.710 5.374 30 10 IKEE COc1ccc(/C=C2/Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc3C2=O)c(OC)c1 33690061 LUROYPXYWUIEBX-SSDVNMTOSA-N 436.847 5.193 30 10 IKEE C=CCCC(O)(CCC=C)c1ccc(CN(Cc2cc(OC)cc(OC)c2)CC(C)C)o1 36203677 RIKIFCPAMGJANB-UHFFFAOYSA-N 441.612 6.075 30 10 IKEE O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)c1cccc(NC(=O)c2cccs2)c1 39850982 HOJOAEZGYDLLGA-ZRDIBKRKSA-N 433.916 6.810 30 10 IKEE CNc1ncnc(Nc2cc(Cl)c([C@H](C#N)c3ccc(Cl)cc3)cc2C)c1[N+](=O)[O-] 40587429 ORFRLHQUCHOQRY-OAHLLOKOSA-N 443.294 5.441 30 10 IKEE COC(=O)c1ccc(/C=C2\Oc3cc(OC/C=C/c4ccccc4)cc(C)c3C2=O)cc1 41436324 JGGYKQUKHGPYJK-PMPSOFGASA-N 426.468 5.490 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1cccc([N+](=O)[O-])c1)C3=O)CN(Cc1ccc(F)cc1)CO2 41587245 ULLVNQYZVMKJAJ-YVNNLAQVSA-N 446.434 5.011 30 10 IKEE COc1ccc(C)cc1N/C(=N\C(=O)c1ccc(C(C)(C)C)cc1)NCc1ccncc1 45939509 GECFIPFKHBPJPL-UHFFFAOYSA-N 430.552 5.094 30 10 IKEE CCn1cc(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c2ccccc21 59246011 XDMUTRXHVNMUHE-JVWAILMASA-N 433.621 6.415 30 10 IKEE COc1ccc(-c2nc(SC)nc(NCc3ccc(Cl)cc3)c2C#N)cc1OC 62048752 JYODWWVBFIHOKA-UHFFFAOYSA-N 426.929 5.020 30 10 IKEE CCOC(=O)c1sc2nc(-c3ccc(C#N)cc3)c(NCc3ccccc3C)n2c1C 65318779 PNGNGHZRABVWGO-UHFFFAOYSA-N 430.533 5.340 30 10 IKEE CCCCCCCCCCOc1ccc(/C=C2/N[C@H](c3ccc(Cl)cc3)OC2=O)cc1 100167655 QMSCVJKPRCHJJC-POQGPQTDSA-N 441.999 7.046 30 10 IKEE CN1C(=O)C[C@@H](C(=O)Nc2ccc(Cl)cc2)S/C1=N\c1cc(Cl)cc(Cl)c1 100263078 HVMQVKSXWFNABH-ACNSNUFOSA-N 442.755 5.237 30 10 IKEE Cc1nc(N2C(=O)C(=O)/C(=C(\O)c3ccc(F)cc3)[C@H]2c2cccc(Cl)c2)sc1C 102904265 OGZVJXQLZSJEIL-LYHOESIGSA-N 442.899 5.179 30 10 IKEE CCOc1ccccc1/C=C1/Oc2cc(OCc3c(Cl)cccc3Cl)ccc2C1=O 103018015 JWZJAEWAIXGUFI-FSJBWODESA-N 441.310 6.587 30 10 IKEE O=C(/C(=C/Nc1ccc(I)cc1)c1ccccc1)c1ccccc1 107870899 DOYMYNWPRVWMDR-HMMYKYKNSA-N 425.269 5.627 30 10 IKEE CCCCCCCCC(=O)NCCCN(C(=O)c1ccc(Cl)cc1)c1ccccc1 138834577 DISVQQRPNYUKPR-UHFFFAOYSA-N 429.004 6.244 30 10 IKEE CCCCCCCCCOc1ccc(-c2[nH]nc3c2CN(CC)CC3)cc1Br 169940086 SMHJIMKUYYZVJC-UHFFFAOYSA-N 448.449 6.347 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2cc(C)ccc2O)c1 169970864 OHNCHKUYQMTQKR-DEOSSOPVSA-N 427.500 5.409 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2cc(F)ccc2F)c1 169971658 XPMIRJCCCIATRR-OAQYLSRUSA-N 439.845 5.710 30 10 IKEE CC(C)Oc1cccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2C2CCCC2)c1 169981285 YPBRXWUAUZFJCU-XMMPIXPASA-N 444.531 5.476 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccccn1 169996842 VPVDMHKPZXZULQ-HXUWFJFHSA-N 439.298 5.480 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccc(Cl)cc2)[C@H]1c1ccco1)c1cc2ccccc2o1 170096724 ZSBRVACXMFKZKZ-QFIPXVFZSA-N 447.874 5.500 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(CC)cc3)[C@@H]2c2ccc(C)o2)c1 170099513 WPOXJBQZYXXANH-QHCPKHFHSA-N 431.488 5.332 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@H]1c1ccccc1OC 170124898 VGNSISTXWDVINM-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccccc1OC(C)C 170151306 CYXMZZKMXDFOPQ-QHCPKHFHSA-N 437.536 5.249 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@H]2c2cccs2)cc1 170159729 NQZARMVDIBWXHB-HSZRJFAPSA-N 447.556 5.935 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1cccs1 170161408 YPMXPIWAKQZQON-OAQYLSRUSA-N 433.529 5.465 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccs1)c1ccc(Cl)c(Cl)c1 170162499 VXXWPTGOJDIQLR-KRWDZBQOSA-N 434.300 5.426 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1ccc(OCC(C)C)cc1 170167467 HYPOWQCBTXKARG-OSPHWJPCSA-N 449.547 5.033 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cccc(OCC(C)C)c1 170218994 QGUVLFOJPPQRDY-RUZDIDTESA-N 447.575 5.589 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccccc2)ccc1Cl 170225062 DIPFTOPCEQNUJG-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2ccccc2)cc1C 170225297 TURNCYUUZNFVHV-VWLOTQADSA-N 439.511 5.411 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccccc2F)cc1 170249473 HQMVSEKLIYGMRI-RUZDIDTESA-N 437.470 6.070 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1c[nH]c2ccccc12)c1ccc2c(c1)CCCC2 170254195 NVGQIAABBXPHJM-AREMUKBSSA-N 448.522 5.830 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@@H]1c1cn(C)c2ccccc12 170269481 CWJLTXNIGAQFDD-DEOSSOPVSA-N 446.547 5.201 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccc2C)cc1C 170270932 VAMPKNPRDMAVDA-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccc(F)c(F)c2)o1 170299364 SRRPRLIXOQZSID-FQEVSTJZSA-N 427.378 5.097 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccc(C)o2)cc1C 170300199 FUPYSXCCAZACJB-DEOSSOPVSA-N 445.515 5.613 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(C)o2)c1 170308110 MOANTBOZTQIOMX-OAQYLSRUSA-N 443.927 5.551 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@@H]1c1sccc1C 170319235 MENZIAMELYKLMU-LJQANCHMSA-N 447.984 5.877 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1sccc1C 170319319 LJSCMSGQNLZNTM-QGZVFWFLSA-N 448.382 5.588 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2cc3cc(Cl)ccc3o2)=C(O)C(=O)N1C1CCCC1 170319758 RCVGQZUJHKHQHU-LJQANCHMSA-N 441.936 5.977 30 10 IKEE CC(=O)ON=C(C)[C@]12C[C@@H]1C[C@@H]1[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 252605158 GGQIDQJAIYDGEX-QAMUNZGESA-N 427.585 5.436 30 10 IKEE Cc1c(N=Cc2cn(-c3ccccc3)nc2-c2cccs2)c(=O)n(-c2ccccc2)n1C 254618963 VRHHNUNDPFESHM-UHFFFAOYSA-N 439.544 5.149 30 10 IKEE CC(C)COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(O)cc2)cc1 526488823 QTTFFIFXHCKQOP-RUZDIDTESA-N 440.499 5.356 30 10 IKEE Cc1ccc(SC2=C(Nc3ccccc3Cl)C(=O)N(c3ccccc3C#N)C2=O)cc1 526663788 XFHUOVRCWRWWAA-UHFFFAOYSA-N 445.931 5.509 30 10 IKEE CCc1nnc(SCc2ccc(Br)cc2)n1/N=C\c1c[nH]c2ccccc12 526820724 CWUWDYTYVXBGHD-FMCGGJTJSA-N 440.370 5.259 30 10 IKEE N#Cc1ccc(CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 586133412 FNQNDXFMYYLZFV-UHFFFAOYSA-N 445.371 5.299 30 10 IKEE C=C(C)CN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586144002 KIWXVRGSHVBKBG-UHFFFAOYSA-N 425.516 5.770 30 10 IKEE C[C@H]1C[C@H](C)CN(C(=O)Nc2cccc(C(=O)Nc3scc(C(C)(C)C)c3C#N)c2)C1 586681266 HNICKXMWCKKVDQ-HOTGVXAUSA-N 438.597 5.679 30 10 IKEE CCC[C@@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)CC1 698483049 SSXNTBXGVKTVEE-VGOFRKELSA-N 435.406 6.833 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)c2ccc(Br)cc2F)cc1 698923722 RKGRGBRJSULTAQ-OAQYLSRUSA-N 433.321 6.077 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 698955207 DUZMQGRUOVNVTO-MWTRTKDXSA-N 449.979 5.621 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)c(F)c1)NCCC 721962482 ODAQRTWJOGHXNV-RBUKOAKNSA-N 443.401 5.358 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C1 724033171 OYRQJUSUCRCLNM-KSFYIVLOSA-N 435.590 5.215 30 10 IKEE O=C(O)c1ccc(COc2ccccc2C=NNc2ccc(Br)cc2)cc1 1084134005 RYSFYWZVWYMVRC-UHFFFAOYSA-N 425.282 5.172 30 10 IKEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc2nc(O)n(C(C)C)c2c1 1292745632 GRHDDOQOCALFBN-UHFFFAOYSA-N 440.503 5.334 30 10 IKEE Cc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2c1C(=NNc1ccccc1)CC(C)(C)C2 1772729554 UIZYBJZGFMTSTH-UHFFFAOYSA-N 432.480 5.537 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC1=Nc1ccccn1 1772732218 VKLLJJHJVWNEEA-QGNOBFDASA-N 449.963 5.938 30 10 IKEE CCN1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=Nc1nc(-c2ccccc2)cs1 1772733506 BXBDGVLXUFCFRM-AAEHPMRKSA-N 431.586 6.380 30 10 IKEE Cc1c(C(=O)Nc2ccc(F)cc2F)oc2c1C(=NNc1ccc([N+](=O)[O-])cc1)CCC2 1772746243 AIDDYWZPUUGZAQ-UHFFFAOYSA-N 440.406 5.179 30 10 IKEE O=C1/C(=C/c2ccc(F)cc2)SC(=NN=Cc2ccc(Cl)cc2)N1Cc1ccco1 1772757227 BLULKBMRLJLRBD-FIRUFQLUSA-N 439.899 5.579 30 10 IKEE C=CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=Nc1ccc(C)cc1O 1772762821 XMLNNXHWJALEON-OUCYFQBSSA-N 429.339 5.253 30 10 IKEE Fc1c(F)c(F)c(-c2ccc(I)c(C(F)(F)F)c2)c(F)c1F 1848359639 LORGUNLPSBEGAT-UHFFFAOYSA-N 438.055 5.673 30 10 IKEE CCc1c(OCc2cccc(C#N)c2)c(=O)ccn1CCCCCCCCCCC(=O)O 1857912087 CTMPXQTYMDXJCK-UHFFFAOYSA-N 438.568 5.457 30 10 IKEE COCCN(C(=O)c1ccc(Cl)cc1Cl)[C@H](C#N)c1cccc(Br)c1 1857960055 DGUSMOKGDKOTDE-QGZVFWFLSA-N 442.140 5.109 30 10 IKEE CCCCCCCCN1C(=O)/C(=C\c2ccc(F)c(Br)c2)SC1=S 1858586543 BBGMVLNBQZBYMX-FOWTUZBSSA-N 430.408 6.150 30 10 IKEE Cc1ccc(SCCC(=O)Nc2c(C#N)cnn2-c2cc(C)c3ccccc3n2)cc1 1859656955 KWKNFLWTCDTKNL-UHFFFAOYSA-N 427.533 5.030 30 10 IKEE CN(C)c1ccc(/C=C/C(=O)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 1860722585 MSFXDYNCCMAALI-VMPITWQZSA-N 430.348 5.011 30 10 IKEE CCCCCCOc1ccc(NC(=O)C(=O)/C=C/c2ccc(F)c(Br)c2)cc1 1860725978 FNVYYBWCFPFTPH-NTUHNPAUSA-N 448.332 5.768 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](NC(=O)CCCOc1ccc(C(C)(C)C)cc1)c1ccccc1 1862218621 HQXQYBFLBBWKDG-AREMUKBSSA-N 448.607 5.201 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1Cl 1862431621 KWPJPQKIBISGIG-HXUWFJFHSA-N 430.331 5.904 30 10 IKEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(F)cc2)cc1 1862474780 UZCAEWYXQQHDRA-BXKMTCNYSA-N 445.490 5.482 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccccc2F)c1 1862489839 IQCYYBFPBNZFKE-KOSHJBKYSA-N 429.491 5.782 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(F)cc1F 1862535235 XCEMIGBGQYSFGA-JOCHJYFZSA-N 427.491 5.686 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2ccccc2Cl)c1 1862561482 UNOQCEDEZVFAGT-HSZRJFAPSA-N 446.934 5.133 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccccc1Cl 1862594393 DDZDJIKTXZSVAS-VGSWGCGISA-N 441.955 5.983 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C(C)C)cc3)[C@@H]2c2ccc(F)cc2)c1 1862661059 CHTKKMFPRUHXMO-VWLOTQADSA-N 443.518 6.036 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccc(O)cc2)cc1 1862663090 OYAMLHNSDHJFLL-CJAUYULYSA-N 441.527 5.855 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccc2ccccc12 1862667114 SWOUOUKUXKDHGM-RUZDIDTESA-N 427.544 6.342 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccc(F)cc2F)c1 1862700893 QYXFIIANEFKHHO-IQMFZBJNSA-N 449.453 5.313 30 10 IKEE CC(C)c1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3c[nH]c4ccccc34)C2=O)cc1 1863129273 FVOQUHZONYVXKL-UHFFFAOYSA-N 446.510 5.560 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(Cl)cc3)C2=O)c1 1863173095 DAUHWVYCOPDLHM-UHFFFAOYSA-N 441.918 5.221 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2C)=C(c2ccc(F)cc2F)C1=O 1863315592 PVZBVFPSAUTDCJ-UHFFFAOYSA-N 426.507 5.826 30 10 IKEE N#Cc1cccc(NC2=C(c3ccccc3Cl)C(=O)N(Cc3ccccc3Cl)C2=O)c1 1863447403 SMHRSOYLJQYBGR-UHFFFAOYSA-N 448.309 5.257 30 10 IKEE CCCCCCCCNC1=C(c2cc(C)ccc2C)C(=O)N(CCCOC(C)C)C1=O 1863735176 BECZYNODYJKNEC-UHFFFAOYSA-N 428.617 5.149 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(OC)cc2OC)C(=O)N([C@H](C)CC)C1=O 1863751640 FPVSCLBFJTZLAR-LJQANCHMSA-N 444.616 5.313 30 10 IKEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CC(C)C)[C@@H]1c1ccccc1 1863990937 KMBFFNWRTNZOER-QFIPXVFZSA-N 438.616 5.019 30 10 IKEE C=CCOc1ccccc1/C=C1/C(=O)N(c2ccc(OC)cc2)N=C1c1ccc(OC)cc1 1865666211 DKCCRKRLXLACBX-HKOYGPOVSA-N 440.499 5.103 30 10 IKEE C=CCN(CC=C)c1cc(N2CCO[C@@H](c3ccccc3)C2)nc(-c2ccccc2C)n1 1869149197 WCXIHUJMJNSDIR-XMMPIXPASA-N 426.564 5.208 30 10 IKEE CCCCCCCOc1cn(Cc2cccc(C)c2)c(CSc2nccn2C)cc1=O 1870251685 QITIRQJSJXMUEI-UHFFFAOYSA-N 439.625 5.580 30 10 IKEE CCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CNc1cccc(Cl)c1 1871059039 UNCATFUJCMJZCP-UHFFFAOYSA-N 431.020 6.819 30 10 IKEE C=CCn1cc(OCc2ccc(C)cc2)c(=O)cc1CNc1cc(Cl)cc(Cl)c1 1871205347 JTORQUBOIULLDM-UHFFFAOYSA-N 429.347 5.841 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(Cl)c(Cl)c1)O3)CN(CCOC(C)C)CO2 1871345456 XFWLMXVYJJJJPQ-JMIUGGIZSA-N 448.346 5.495 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O3)CN(CCCOC(C)C)CO2 1871346247 RRIHFNIPDFSNIQ-OYKKKHCWSA-N 435.564 5.702 30 10 IKEE Cc1cccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2nc3ccccc3[nH]2)C4)c1 1871347181 FDAWWZAMUPRXTQ-FMCGGJTJSA-N 437.499 5.148 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc3c2CN(CCCCc2ccccc2)CO3)C1=O 1871354424 QAMRCLJNKXTLNY-HAHDFKILSA-N 431.557 5.848 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)CCCOc4ccccc4)ccc3C2=O)cc1 1871371484 RYZPPRYTQQATBR-UQQQWYQISA-N 428.484 5.630 30 10 IKEE O=C1/C(=C/c2ccc3c(c2)OCO3)Oc2cc(OC(=O)c3c(F)cccc3Cl)ccc21 1871375254 BFHTZBVHPYRKHX-UKWGHVSLSA-N 438.794 5.043 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871410251 BUEXCTGKJHVNPS-QETRNLNESA-N 441.527 5.888 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2sccc2C)C3=O)c1 1871410972 FRHQCADTOYKSNP-VYZAVGSRSA-N 433.529 5.696 30 10 IKEE CCOC(COc1cc(C)c2c(c1)O/C(=C\c1ccccc1Br)C2=O)OCC 1871416347 XNYMDLOZEDVLGN-ODLFYWEKSA-N 447.325 5.152 30 10 IKEE CCCOC(=O)[C@H](CC)Oc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O 1871435149 XVHGPJGKSMVNEU-HRVJUDJTSA-N 445.309 5.176 30 10 IKEE COC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)o1 1871438872 WECWAUFQJYRCAS-QRVIBDJDSA-N 432.472 5.559 30 10 IKEE Cc1cccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2F)C3=O)c1C 1871458573 CUQMKYFRADEELE-FMCGGJTJSA-N 431.463 5.385 30 10 IKEE Cc1cc(OCC(=O)Nc2ccccc2F)cc2c1C(=O)/C(=C/c1ccc(Cl)cc1)O2 1871460067 UAHFOBKZUKBFKW-NHDPSOOVSA-N 437.854 5.421 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OCc3cc(=O)oc4ccc(C)cc34)ccc2C1=O 1871460688 ZYGQJNYDPLIMDL-ROTLSHHCSA-N 440.451 5.305 30 10 IKEE CCCCCCCCN=c1nc(N2CCC(C)CC2)[nH]c(=Nc2cccc(Cl)c2C)[nH]1 1871491572 HZFZUJDFATXLNI-UHFFFAOYSA-N 445.055 5.430 30 10 IKEE C=CCN(CC=C)c1nc(=NCC(C)C)nc(Nc2ccc(Oc3ccccc3)cc2)[nH]1 1871508238 SHBYHEZUOLGXRE-UHFFFAOYSA-N 430.556 5.076 30 10 IKEE COc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)c(OC)c1 1872760284 LDJGWTWMYQWBTE-OAQYLSRUSA-N 432.545 5.125 30 10 IKEE CC(C)Oc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 1872760580 RUZACLXTPLWJHV-QHCPKHFHSA-N 426.541 6.169 30 10 IKEE CCc1cccc(C)c1N1C[C@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)CC1=O 1872769908 CRAMZEBOZRKWPA-NHCUHLMSSA-N 443.572 5.219 30 10 IKEE COc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1 1872776901 ADPBZETWVOUHFJ-HSRJRILOSA-N 446.572 6.014 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)Cc3cccc4ccccc34)n2)cc1C 1872787600 NISANWPNDGOEQC-JOCHJYFZSA-N 426.541 6.008 30 10 IKEE COc1cc(OC)cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)c1 1872788721 OUDJPJGRISHROK-OAQYLSRUSA-N 444.512 5.479 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc(COc2cccc3c2OC(C)(C)C3)cc1 1872851497 GMSYUSCYHSSWAS-UHFFFAOYSA-N 437.624 6.850 30 10 IKEE CCCOc1cccc(NC(=O)c2ccc(CSc3nc(C)c(C)c(C)c3C#N)cc2)c1 1872895101 CEJIDOWFUYERDD-UHFFFAOYSA-N 445.588 6.212 30 10 IKEE Cc1nc(SCc2ccc(C(=O)Nc3ccc(F)c(F)c3F)cc2)c(C#N)c(C)c1C 1872895433 UAXSHPBIAVYLNP-UHFFFAOYSA-N 441.478 5.840 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C(C)C)cc2)cc2c(N(CCCC)CCCC)ncnc21 1873662034 BTNDYYBXFIKISY-UHFFFAOYSA-N 447.627 6.400 30 10 IKEE Cc1c(CCC(=O)Nc2ccc(C#N)cc2)c(=O)oc2c(C)c3occ(C(C)(C)C)c3cc12 1873864466 KXADOFRMJMOWHE-UHFFFAOYSA-N 442.515 5.897 30 10 IKEE CCCCCCCCNC(=O)C[C@@H](CN1Cc2ccccc2C1=O)c1ccc(Cl)cc1 1873885968 BIVATRJUVIPBDJ-QFIPXVFZSA-N 441.015 5.946 30 10 IKEE C=CCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc(CC)cc1 1874232853 UJJFIYSBHZVDJL-ZXVVBBHZSA-N 426.589 5.939 30 10 IKEE Cc1ccccc1OCCCc1nnc(SCc2ccccc2)n1/N=C/c1ccccc1 1874249772 JYBIYJLBYPYVSC-ZXVVBBHZSA-N 442.588 5.773 30 10 IKEE Cc1cccc(CSc2nnc(COc3cccc(C)c3C)n2/N=C/c2ccccn2)c1 1874322029 WONAWVQSRMOERI-JFLMPSFJSA-N 443.576 5.352 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2cccs2)cc1C 1874357397 FHJZKOPQSQBJRS-MFKUBSTISA-N 432.618 6.030 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1ccccc1OC(C)C 1874358462 JINCETDXSCIBTG-CVKSISIWSA-N 434.609 5.823 30 10 IKEE Clc1ccc(CSc2nnc(CCc3cccs3)n2/N=C/c2cccs2)cc1 1874372065 GTRJIISXCDXQTB-LPYMAVHISA-N 445.038 6.014 30 10 IKEE C=C(C)CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1ccc(Cl)cc1Cl 1874395390 LLJYMVLVBQFZBD-ZIFAQYRBSA-N 431.392 6.287 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C/c2ccc(F)cc2)cc1 1874396556 KTCLXNBDIUPCKW-WPWMEQJKSA-N 430.552 5.685 30 10 IKEE Cn1cccc1/C=N/n1c(Cc2cccs2)nnc1SCc1ccccc1Cl 1874413185 HAXMFGUSOXTBQU-LPYMAVHISA-N 427.986 5.097 30 10 IKEE Cc1ccccc1CSc1nnc(-c2cccs2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874420761 CJNGVHMQKRZEDJ-LPYMAVHISA-N 435.534 5.398 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2[C@@H]2CCCO2)cc1 1874451866 SIZMMKOHXNLNRG-OGBFJMLUSA-N 430.936 5.405 30 10 IKEE CN(C)c1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2-c2ccco2)cc1 1874467149 UDBMATWHTXSFAL-ZVHZXABRSA-N 437.956 5.432 30 10 IKEE CCCOc1cccc(/C=N/n2c(CCC)nnc2SCc2c(F)cccc2Cl)c1 1874509727 RHLBKUYNCLZSPK-AFUMVMLFSA-N 446.979 5.986 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc(OC)cc1 1874510993 FZEPTXHXWOXZER-FSJBWODESA-N 435.380 5.721 30 10 IKEE COc1cc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C2CC2)ccc1O 1874523608 XIXHMQVIANMXLS-AUEPDCJTSA-N 449.363 5.351 30 10 IKEE CCCOc1c(/C=N/n2c(CC)nnc2SCc2ccccc2Cl)cccc1OC 1874525942 MRZRAHPCZVEWDF-ZVHZXABRSA-N 444.988 5.466 30 10 IKEE CC(C)(C)c1cc(/C=N/n2c(S)nnc2Cc2cccs2)cc(C(C)(C)C)c1O 1874560752 NRHOXWWUJOIKFR-YDZHTSKRSA-N 428.627 5.402 30 10 IKEE O=C(/C=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 1874575267 DWXHCLZDKSUKLB-XYOKQWHBSA-N 428.271 6.377 30 10 IKEE C=C(C)COc1c(Br)cc(Br)cc1/C=C/C(=O)c1ccccc1 1874578633 YQLBRZXKERAICS-CMDGGOBGSA-N 436.143 6.063 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCc3nc(O)c4ccccc4n3)c2)cc1C 1874593448 KHKDYOCNJCZCES-ZRDIBKRKSA-N 426.472 5.128 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OCc1nc(O)c2ccccc2n1 1874596602 STFVFJVONXOTBP-FMIVXFBMSA-N 440.499 5.436 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OCc1c(F)cccc1Cl 1874597328 GNHXNPQLBJVQIZ-NTUHNPAUSA-N 438.926 7.086 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccccc3F)c2)cc1Cl 1874599969 MLFUJPQPCXARPC-PKNBQFBNSA-N 439.870 5.401 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OCc1ccccc1F 1874623031 IVJSAZZSCHFKRX-MDWZMJQESA-N 438.926 7.086 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccc(Cl)cc3)c2)cc1 1874694091 KZOBAPKHZUICKM-RIYZIHGNSA-N 434.919 5.955 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cc4ccccc4n3C)c2)cc1F 1874706855 CGNQDPOJXDGMGD-ZRDIBKRKSA-N 429.447 5.441 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)cc2)cc1 1875096770 DMOVKJHGUGJGSM-CAOOACKPSA-N 440.495 5.606 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc(OC)c1OC(=O)C(C)(C)C 1875103913 WTCDQKZFHROANN-ZRDIBKRKSA-N 438.520 5.289 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)C(C)(C)C)c(OC)c2)cc1 1875105774 LRXVZYNSDJPJNT-SDNWHVSQSA-N 428.956 6.539 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCSC)c(Cl)c2)cc1 1875106986 UNAWQHDSQNUABZ-GXDHUFHOSA-N 430.997 6.627 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1Cl 1875121372 MFTMGXUKVMFPLI-UXBLZVDNSA-N 429.274 6.177 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)C3CCC3)c(Br)c2)cc1 1875130225 NJZPFSWPXYXNIK-WUXMJOGZSA-N 429.310 5.449 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc(F)c2)c(Cl)c1)c1ccc(Cl)c(Cl)c1 1875135609 YWWTYJJWOBRFTG-XBXARRHUSA-N 449.692 6.901 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)Cc1ccc(C)c(C)c1 1875142834 WDJFHXSNDABFPZ-YRNVUSSQSA-N 432.491 5.804 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc(Cl)c1OC(=O)C1CCC1 1875151880 GZYDVTYECVZCIQ-VQHVLOKHSA-N 432.875 5.488 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1Br 1875158362 RQAQIRXRNFBHJY-NTUHNPAUSA-N 433.317 6.360 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3)c([N+](=O)[O-])c2)cc1C 1875175030 VSKPUXCXUABTIM-UKTHLTGXSA-N 429.472 5.646 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 1875179514 NDAPUIGYSWGNLY-FMIVXFBMSA-N 441.310 6.426 30 10 IKEE CC(C)(C)OC(=O)N1CCC(C[C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2)CC1 2000205563 LWXQBTMAEKHITJ-HXUWFJFHSA-N 429.561 5.357 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCN(C(=O)OC(C)(C)C)CCC1(F)F 2020297120 LJTVSJJSPKMCND-OAQYLSRUSA-N 445.551 5.198 30 10 IKEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)c(Cl)c1 2041577653 HQOAIHGBVYTOPS-DLBZAZTESA-N 429.786 5.060 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1(C)C 2068177738 HNCGOVZCRWYFJY-RUZDIDTESA-N 449.636 6.018 30 10 IKEE C[C@@H](c1cccs1)N(Cc1ccccc1)c1ncc(F)cc1B1OC(C)(C)C(C)(C)O1 2068333117 MUKOGWFJYKUXCW-KRWDZBQOSA-N 438.377 5.349 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(C(=O)OC(C)(C)C)[C@@H]2C(C)(C)C)c1 2076160914 CCNXHXSATOXFGD-KBMIEXCESA-N 443.588 5.664 30 10 IKEE Cc1ccc([C@@H](n2nc(C(F)(F)F)c(/C=N/O)c2Br)C(C)(C)C)cc1C 2079004900 FBLUIEKAHGEIQN-MJGXDETHSA-N 432.284 5.725 30 10 IKEE CCc1ccc([C@H](n2nc(C(F)(F)F)c(/C=N/O)c2Br)C2(C)CC2)cc1 2079139604 YHOAXXWCKHACNU-MQEPLNOPSA-N 430.268 5.424 30 10 IKEE C=CCC1([C@H](NCCC)c2ccc(Br)c(C)n2)CN(C(=O)OC(C)(C)C)C1 2156999775 DPJPIKGCWNRIQS-GOSISDBHSA-N 438.410 5.006 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)ccc(F)c1Br 2159123658 CKUPCVVDGCEVLJ-QAPCUYQASA-N 445.348 5.075 30 10 IKEE COc1cc(Br)ccc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2165551715 QHYKCFSOZRQMFE-KRWDZBQOSA-N 435.293 5.603 30 10 IKEE C[C@@H]1CCCN(c2cccc(Br)c2C#N)[C@H]1CCCNC(=O)OC(C)(C)C 2174807913 IBZVXNABKBRNHU-QAPCUYQASA-N 436.394 5.231 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(Nc2ccccc2Br)C[C@H]1C1CCC1 2194187592 LOIDPBMGNMPJMG-GHTZIAJQSA-N 434.378 5.323 30 10 IKEE C=CCN(CC[C@@H](NCCC)c1cc(Br)cc(OC)c1)C(=O)OC(C)(C)C 2201024950 ZZFBVKPCUAKBPH-LJQANCHMSA-N 441.410 5.312 30 10 IKEE CCCC#C[C@@H](NCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2225462061 UYWWNDQZEXWMME-UHSQPCAPSA-N 443.587 5.660 30 10 IKEE C=CCCC[C@@H](NCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229119312 BRRBYQKJSXMIOX-RTBURBONSA-N 425.411 5.219 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)[C@](C)(CC)CNC(=O)OC(C)(C)C 2235748071 WFTXDUXGQWJKQT-SIKLNZKXSA-N 437.422 5.110 30 10 IKEE CC[C@@H]1CC=C(C(=O)[C@H](Cc2cccc(Br)c2)NC(=O)OC(C)(C)C)CC1 2237409717 IXYLOVVHIJAXBG-BEFAXECRSA-N 436.390 5.591 30 10 IKEE C#C[C@@H](C)[C@@H](OCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2261772704 MSFYGSAPAFZMEB-NFQMXDRXSA-N 430.500 5.256 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Cl)cc([C@@H](N)C#Cc2ccc(Br)cc2)c1 2278809396 LUEOWOZFEKLDEG-SFHVURJKSA-N 435.749 5.501 30 10 IKEE CC1(C)OB([C@H]2C=CC=C[C@@]2(C=Cc2ccccc2)B2OC(C)(C)C(C)(C)O2)OC1(C)C 2294276872 JIVNRTMPQKZINX-LVXARBLLSA-N 434.194 6.121 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2OC(=O)c2ccccc2OC)cc1OC 2296797087 XBVNMIICLWMPFS-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE CCCOC(=O)c1cc(-c2ccc(C=C3C(=O)ON=C3c3ccccc3)o2)ccc1Cl 2297316807 YCDNLYMLGTVPIN-UHFFFAOYSA-N 435.863 5.511 30 10 IKEE Cc1ccc(-c2nc3cc(N=Cc4ccc(-c5ccc(Cl)cc5Cl)o4)ccc3o2)cc1 2297710456 LCFJZEAPFSCLOK-UHFFFAOYSA-N 447.321 8.121 30 10 IKEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 2297747103 BIBJWBBIWYIXEY-FQEVSTJZSA-N 447.560 5.079 30 10 IKEE C=CC[C@@](C)(CC)C(=O)c1sc(Br)c(Br)c1Br 2304043889 OURNWPGPUDVENR-GFCCVEGCSA-N 445.014 6.211 30 10 IKEE O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc(Cl)cc1 2314477474 HTULGILMWVINBM-DEOSSOPVSA-N 429.903 5.518 30 10 IKEE CC#CCN(C[C@H](NCC)c1c(C)sc(C)c1Br)C(=O)OC(C)(C)C 2316114049 SQPOHPQGJVDWOH-HNNXBMFYSA-N 429.424 5.038 30 10 IKEE CCc1ccc(C(=O)C=Cc2c(OCC(=O)Nc3ccccc3)ccc3ccccc23)cc1 2322353664 GULBOHNXFLBNLP-UHFFFAOYSA-N 435.523 6.316 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccccc2OCC(=O)N[C@H](C)c2ccccc2)cc1 2322391335 VVKKIYYKLGJMEP-JOCHJYFZSA-N 441.571 6.182 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Br)ccc2OCc2cccc(F)c2)cc1 2322442904 GYIMXZBGARIVRU-UHFFFAOYSA-N 441.296 6.072 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C#N)(Cc1sc(Cl)cc1Br)C2 2322461473 UEVKSLJPPLNUAG-RYUDHWBXSA-N 445.810 5.778 30 10 IKEE COC(=O)c1ccc(COc2c(C=CC(=O)c3ccc(Cl)cc3)cccc2OC)o1 2322542232 FTLLWCCMQVBGBG-UHFFFAOYSA-N 426.852 5.203 30 10 IKEE CCN(CC)C(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc(Cl)c(Cl)c1 2322585899 XRBGEQZQTFESRZ-UHFFFAOYSA-N 440.754 5.790 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2c(OCCC)ccc3ccccc23)cc1 2322760113 XRRKFQVSOADUPY-UHFFFAOYSA-N 430.588 7.874 30 10 IKEE Cc1cc(OC(=O)Cc2ccccc2)cc2c1C(=O)C(=Cc1c(Cl)cccc1Cl)O2 2322884774 RQQCVOAZSVLOCF-UHFFFAOYSA-N 439.294 6.066 30 10 IKEE COc1cccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)c1OCc1cc(C)ccc1C 2322968968 DTNKDQGVZOZWNZ-UHFFFAOYSA-N 442.599 7.393 30 10 IKEE CCc1ccccc1NC(=O)COc1cccc(C=CC(=O)c2ccc(OC)c(F)c2)c1 2323202620 QXRMWCWPEPWOKA-UHFFFAOYSA-N 433.479 5.310 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1OCc1ccccc1Cl 2323302710 MMGFACQDJHIMGC-UHFFFAOYSA-N 448.990 7.430 30 10 IKEE Cc1cc(OC(=O)c2cccc([N+](=O)[O-])c2)cc2c1C(=O)C(=Cc1ccccc1Cl)O2 2323310193 ZFJDXSGPBUIRGU-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE Cc1c(OC(=O)Cc2cccc3ccccc23)ccc2c1OC(=Cc1cccs1)C2=O 2323400407 HRCRPBDLIDAABU-UHFFFAOYSA-N 426.493 5.974 30 10 IKEE C=C(C)COc1c(Cl)cc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1OCC 2323520580 GPCTXAJWWKPPQW-UHFFFAOYSA-N 425.739 6.897 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2OC)ccc1OCc1c(Cl)cccc1Cl 2323719083 LDHOAKWKNTWFAK-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE CCOc1cc(C=NNc2nc(-c3cccs3)c(C)s2)cc([N+](=O)[O-])c1OCC 2323864877 SOLDJCCMUBPIII-UHFFFAOYSA-N 432.527 5.332 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 2323887656 NFGGDLPMTIARBF-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@H]3CC[C@H]2N(C(=O)OC(C)(C)C)C3)cc1 2324110155 UTCRMBKCELYTRB-RQBNJVACSA-N 441.572 5.418 30 10 IKEE Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccccc2)C3=O)c(C)c1 2324331950 IUZFXXYGINGFAK-HXUWFJFHSA-N 441.527 5.942 30 10 IKEE COc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1ccccc1)C2=O 2324426294 ZMYHRTUJPSPJLF-HNNXBMFYSA-N 449.890 5.371 30 10 IKEE Cc1cccc(OCCCCOc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)c1 2324567926 KNTHHHPECNQIOD-UHFFFAOYSA-N 434.919 6.503 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2ccc(OCc3ccccc3Cl)cc2)cc1Cl 2324588972 GLAGGVKKARTJHI-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OCc3ccc(C(=O)OC(C)C)cc3)ccc2C1=O 2324605313 CSRNPTQRIXGQLZ-UHFFFAOYSA-N 428.484 5.755 30 10 IKEE COc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 2325437801 PQRYOCRTRNXJDH-UHFFFAOYSA-N 446.551 5.386 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cccc(OC)c1OCC 2325565379 NBRLDIIQHNZMCB-UHFFFAOYSA-N 444.988 5.466 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC(=O)CCCOc3ccc(OC)cc3)c2)cc1 2325705629 BMGLOASNVYCEQN-UHFFFAOYSA-N 444.527 5.918 30 10 IKEE COc1ccc(OCC(=O)Oc2cc(C=CC(=O)c3ccc(C)cc3C)ccc2OC)cc1 2325735589 HFNGFRVWJCMYJT-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccccc3CC)ccc2C1=O 2325737169 JJUMTVBUKQJIHZ-UHFFFAOYSA-N 443.499 5.281 30 10 IKEE CCCSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1ccc(C)cc1 2325966896 PKTJOXJTGBYGOY-UHFFFAOYSA-N 429.387 5.324 30 10 IKEE CCc1nnc(SCc2ccccc2)n1N=Cc1ccccc1COc1ccccc1 2326217025 UCDGJCCQCSLADN-UHFFFAOYSA-N 428.561 5.594 30 10 IKEE CCOc1ccc(C=Nn2c(CC)nnc2SCc2cc(C)ccc2C)cc1Cl 2326592197 OIQRDNUMFXMAEQ-UHFFFAOYSA-N 428.989 5.684 30 10 IKEE Cc1ccccc1OCCCc1nnc(SCc2ccccc2)n1N=Cc1ccccc1 2327098367 JYBIYJLBYPYVSC-UHFFFAOYSA-N 442.588 5.773 30 10 IKEE C=C(C)CSc1nnc(CCOc2ccccc2)n1N=Cc1cccc2ccccc12 2329190038 JVKUNKLRUCYUPP-UHFFFAOYSA-N 428.561 5.603 30 10 IKEE CCCSc1nnc(CCOc2ccccc2)n1N=Cc1ccc(N(CC)CC)cc1 2329208057 SCSOFCVWZQBDSL-UHFFFAOYSA-N 437.613 5.130 30 10 IKEE Clc1ccc(CSc2nnc(CCOc3ccccc3)n2N=Cc2ccccc2)cc1 2329210322 JBLUTSLVYHWHSZ-UHFFFAOYSA-N 448.979 5.728 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccncc1 2329777585 FRELZOCIHKEKFO-UHFFFAOYSA-N 437.931 5.231 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2)n1N=Cc1ccc(Cl)c(Cl)c1 2329918607 OBECBMDTDHXGQX-UHFFFAOYSA-N 433.364 5.714 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2[C@H](C)c2ccccc2)cc1 2330063784 PTGMUPQKJCEAAC-GOSISDBHSA-N 446.551 5.752 30 10 IKEE CCc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2-c2ccccc2)cc1 2330674928 NODJVHINHZYMNP-UHFFFAOYSA-N 432.980 6.335 30 10 IKEE O=[N+]([O-])c1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2-c2ccccc2)cc1 2330692494 ATCBHVPATMEAHT-UHFFFAOYSA-N 449.923 5.681 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(C)c3)cc2)cc1 2330855686 ARBPIZXMMCJDNS-UHFFFAOYSA-N 444.527 5.837 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(C)c(C)c1 2331042715 ZJUJFCZNDLBAKY-UHFFFAOYSA-N 445.471 5.726 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H](C)Oc3ccc(Cl)cc3)cc2)c(C)c1 2331216028 RIVWSGQTZTURGE-IBGZPJMESA-N 434.919 6.226 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C(C)(C)C)cc1 2331402674 DXHVBGNRNMPALS-UHFFFAOYSA-N 444.604 6.302 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1OC 2331411015 DXTPFMZEXYOIFJ-UHFFFAOYSA-N 428.956 6.638 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1ccc(C)cc1 2331445216 VAJFIZSVSJHDOY-UHFFFAOYSA-N 430.456 5.238 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc1Cl 2331575121 IBCRHOVHDWIGER-UHFFFAOYSA-N 428.956 6.772 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(C)c3C)cc2Cl)cc1 2331613416 LLGYSJHYJUUOIE-UHFFFAOYSA-N 448.946 6.643 30 10 IKEE C=C(C)CSc1nnc(CCC)n1N=Cc1ccc(OCCCCC)c(OCC)c1 2331651967 LXSMBZYPMPROLH-UHFFFAOYSA-N 430.618 5.749 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)c(C)c3)c([N+](=O)[O-])c2)cc1C 2331706742 SCCIXOVBBAFIDA-UHFFFAOYSA-N 447.462 5.703 30 10 IKEE N#Cc1cc(Br)ccc1OCc1cc(Br)cc(Br)c1 2337069527 QFGIWVKZYWPLDN-UHFFFAOYSA-N 445.936 5.425 30 10 IKEE CC1(C)CN(Cc2ccccc2)C[C@H]1Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339583702 YFKWYNWJPCQHRB-JOCHJYFZSA-N 433.405 5.049 30 10 IKEE CO[C@@H](C#C[C@H](O)c1ccc(Br)cc1NC(=O)OC(C)(C)C)C1CCCC1 2369515956 JZAWVLMGLXUSLZ-OALUTQOASA-N 438.362 5.038 30 10 IKEE O=C1CCCC2=C1[C@H](c1ccccc1F)n1nc(SCc3cccc(Cl)c3)nc1N2 9856574 PHBJNRDSUUILQZ-FQEVSTJZSA-N 440.931 5.385 30 10 IKEE Cc1cc(C)nc(N/C(=N/C(=S)Nc2ccc(Oc3ccccc3)cc2)NCC(C)C)n1 14156249 BNIPKYGIBKCRLE-UHFFFAOYSA-N 448.596 5.296 30 10 IKEE CSc1ccc(/C=C2\CC(c3ccccc3)C/C(=C\c3ccc(SC)cc3)C2=O)cc1 15979808 UEYFSSIOZXZPIA-MUPYBJATSA-N 442.649 7.744 30 10 IKEE CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)c(Cl)c2)cc1 21229731 BPKKQCARDRVVHD-SJLPKXTDSA-N 442.386 6.295 30 10 IKEE COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1Cl 21258243 JMKQPZPKJUSTDK-IZHWHUGBSA-N 436.964 6.390 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NC1CCCC1)[C@H]2c1cccs1 21722262 DDNHFMGKKCPSLG-QHCPKHFHSA-N 435.593 6.017 30 10 IKEE C=CCc1ccc(OCCCn2c([C@@H](C)NC(=O)CCC)nc3ccccc32)c(OC)c1 40188992 CLSWHGDMKRAJBH-LJQANCHMSA-N 435.568 5.220 30 10 IKEE CNC(SCc1ccc(Cl)c(Cl)c1)=C(C(=O)c1ccco1)C(=O)c1ccco1 40570368 FZAXBWCMPVBWNR-UHFFFAOYSA-N 436.316 5.609 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc3c2CN([C@H](C)c2ccccc2)CO3)C1=O 41656268 FEEWTSBBWXWPBH-SDPDQUOZSA-N 427.500 5.615 30 10 IKEE CC(=O)C1=C(C)N(c2ccccc2)[C@@]2(SC(C)=NN2c2ccc([N+](=O)[O-])cc2)S1 59121736 YZRVEDFFYQPUSH-HXUWFJFHSA-N 426.523 5.167 30 10 IKEE C=C(C)COc1cccc(NC(=O)CNc2ccccc2OCCCc2ccccc2)c1 66064152 TZULXJMRLMTNPD-UHFFFAOYSA-N 430.548 5.704 30 10 IKEE C=C(C)COc1ccc(NC(=O)CNc2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)cc1 66109100 LPDQWQFRJPBCEW-HXUWFJFHSA-N 443.547 5.183 30 10 IKEE O=C(/N=C(/NCCc1c[nH]c2ccccc12)Nc1cccc(F)c1)c1ccc(Cl)cc1 66437800 KOQGHAVCVAOWLU-UHFFFAOYSA-N 434.902 5.401 30 10 IKEE O=C1/C(=C/c2ccc(/C=C3\CC/C(=C\c4cccnc4)C3=O)cc2)CC/C1=C\c1cccnc1 97945969 TYGLWPIDBCUIHD-IIHBPHOSSA-N 444.534 6.136 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S/C1=N/c1ccncc1Cl 101127121 HKGFWIMPYSEDRW-DZHGSHHNSA-N 440.868 5.137 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)NC(=S)N1 169938062 AKLZOYZKYVOBGG-OAQYLSRUSA-N 436.621 5.663 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2cccc(Cl)c2)c1 169970124 FOWXNQREDQMEKK-OAQYLSRUSA-N 438.310 6.085 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2nc3ccccc3[nH]2)c1 169973171 XUPIAQDPINIPJR-OAQYLSRUSA-N 443.890 5.308 30 10 IKEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccs2)cc1 169982213 ZYMGLSFUCNBOQE-FQEVSTJZSA-N 438.936 5.250 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2cccs2)ccc1F 169985821 NMFUGUOZFIBCFJ-LJQANCHMSA-N 427.884 5.632 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(OC)c3)[C@@H]2c2ccccc2)cc1 170054755 KTTKIXIIDWOGML-XMMPIXPASA-N 427.500 5.036 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccc(F)cc2)cc1 170060940 LTXZRCXRQSQFLG-QFIPXVFZSA-N 437.417 5.449 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(C(C)C)cc1 170066064 VKODCDNQSXYKLS-QFIPXVFZSA-N 441.955 5.467 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@@H]2c2sccc2C)c1 170105150 ZFVPSFLLRKINRR-OAQYLSRUSA-N 449.528 5.165 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@H]1c1sccc1C 170106046 VXMPKSKMGQQITL-OAQYLSRUSA-N 433.529 5.465 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(O)cc1 170132922 RGFANLUBFYUVJK-OAQYLSRUSA-N 449.890 5.146 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc(C)c2)c1 170145262 DNGUILWRRIWKKJ-XMMPIXPASA-N 433.548 5.695 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@@H]1c1cccs1 170165491 XYMUBDSHSKUHQY-QFIPXVFZSA-N 441.593 6.039 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@H]1c1cccnc1 170187695 NYGMCBBWZSKDOR-QHCPKHFHSA-N 442.515 5.107 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC(C)C)c3)[C@H]2c2cccnc2)cc1 170189170 AYDJWSQKNBQWJS-XMMPIXPASA-N 442.515 5.208 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccnc2)cc1 170194237 VHHYXRKTKHTGJH-HSZRJFAPSA-N 434.536 5.027 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(Cl)c3)[C@H]2c2ccccc2)c1 170224069 RKSKYLDBESUVPO-OAQYLSRUSA-N 438.310 6.085 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1 170226285 PZQPRBRVNFNQQL-DEOSSOPVSA-N 425.528 6.075 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccccc2)c(C)c1 170228032 GVOIAIRMNQTRRK-RUZDIDTESA-N 441.527 5.874 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccccc1C 170273942 PWPWWMWTNMJQQU-NRFANRHFSA-N 437.879 5.029 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cc3cc(Cl)ccc3o2)=C(O)C(=O)N1C1CCCCC1 170275551 QAYBNISXFDKPBZ-HSZRJFAPSA-N 449.934 6.306 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccco1)c1cc2cc(Cl)ccc2o1 170281793 IZBAUHVFSSLVEW-HXUWFJFHSA-N 437.810 5.601 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccco2)cc1C(C)C 170293109 DUWAZGXOAVTMGO-HSZRJFAPSA-N 437.536 5.713 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2sccc2C)cc1C 170313690 OBKHFCSJXSLFEP-HXUWFJFHSA-N 437.492 5.296 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2cc(F)ccc2F)cc1 170454753 CDBRSUCITGLMFZ-QHCPKHFHSA-N 442.506 5.326 30 10 IKEE Cc1cc(C)c(-c2nn(-c3ccccc3)cc2/C=C2/Oc3cc(C)c(C)cc3C2=O)c(C)c1 214009831 NJTVOLOXUHWLHE-CVKSISIWSA-N 434.539 6.698 30 10 IKEE O=C(Oc1ccc2ccccc2c1N=Cc1cccc2ccccc12)c1cccc([N+](=O)[O-])c1 254381698 VLTNSQGKBGIDIQ-UHFFFAOYSA-N 446.462 6.871 30 10 IKEE COc1ccccc1N=C1C(=O)N(CN2CCC(Cc3ccccc3)CC2)c2ccccc21 254754098 YLNFZQMYLJAABO-UHFFFAOYSA-N 439.559 5.075 30 10 IKEE COc1cc(-c2csc(=NCc3ccccc3)n2N=C2CCCC2)cc(OC)c1OC 254760157 VUPIAUXBMNIBSZ-UHFFFAOYSA-N 437.565 5.121 30 10 IKEE Cc1c(N=CC(=O)c2ccc(Sc3ccccc3)cc2)c(=O)n(-c2ccccc2)n1C 255973635 GDXLGYIRBZTXQV-UHFFFAOYSA-N 427.529 5.221 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)ccc(F)c1Br 407114749 GQXDEXYAAITZIN-YJBOKZPZSA-N 447.364 5.628 30 10 IKEE CSc1nc(O)c(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)c(C(C)C)o2)cc1C#N 439515510 CSWNLFVPSKRAOK-SFHVURJKSA-N 448.548 5.136 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526489756 RWCAFRCEQAUVBL-RUZDIDTESA-N 441.506 5.601 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526490448 FYCOTEAMPCIOIB-AREMUKBSSA-N 437.543 5.770 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)NC2CCN(C(=O)Nc3cccc(F)c3)CC2)c1 585858642 AUPJZUFYIYTJQN-UHFFFAOYSA-N 438.547 5.090 30 10 IKEE C=CCCN(c1ccc(N2CCC(C)CC2)cc1)S(=O)(=O)c1cc(Cl)ccc1OC 586257053 ANAKBXLXESGKMF-UHFFFAOYSA-N 449.016 5.356 30 10 IKEE N#Cc1ccccc1NC(=O)Nc1cccc(C(=O)Nc2ccc(N3CCCC3)cc2)c1 586732151 XOPFPJMIAYIAJN-UHFFFAOYSA-N 425.492 5.055 30 10 IKEE CCCCCCCCCCCC[C@@H](CN(Cc1ccccc1)C(=O)OC(C)(C)C)NC 692559834 QSLWKGBGLSMAQF-VWLOTQADSA-N 432.693 7.323 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@H](C#N)c1cccc(I)c1 698406423 KYIZGULIMAMQKZ-GOSISDBHSA-N 448.304 5.293 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1 698439719 AXBHXLYYUGTQTF-BXKMTCNYSA-N 445.560 5.118 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1cc(F)cc(Cl)c1 698452066 OPJZKQLXBDAWQR-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1ccc(Br)cc1C 698494702 UGWAOQXXITTXHY-GOSISDBHSA-N 431.330 5.773 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@H](CNC(=O)OC(C)(C)C)C(C)C)cc1 698955236 FFUZGJONHSNXNE-UXHICEINSA-N 431.577 5.426 30 10 IKEE Cc1cc(C23CC4CC(CC(C4)C2)C3)ccc1N=Cc1ccc(OCCCC(C)C)cc1 725420291 NLUAOFURCOUWCG-UHFFFAOYSA-N 429.648 8.028 30 10 IKEE CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2/C=N\c1ccccc1/N=C\[C@H]1C(=O)[C@H]2CC[C@@]1(C)C2(C)C 1084330144 HXEWRZRCECTMFG-PDAOTSAPSA-N 432.608 6.374 30 10 IKEE COc1cccc(C[C@@H]2Nc3cc4cc(C)ccc4nc3S/C2=N/c2cccc(C)c2)c1 1614363230 RUVCZBYRZIMFIQ-HZNCDDNJSA-N 439.584 6.719 30 10 IKEE CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)OC/C=N/OCc1c(F)c(F)c(F)c(F)c1F 1614950098 SBFCERKFEHNPBW-MABONHMTSA-N 446.199 5.019 30 10 IKEE O=C(O)c1cccc(N=C2S/C(=C\c3ccccc3Cl)C(=O)N2c2ccccc2)c1 1772738107 UKSLTILQCXEYEZ-VASVRFFCSA-N 434.904 5.847 30 10 IKEE C/C(=C1/SC(=Nc2nnc(C)s2)N(c2ccccc2)C1=O)c1ccc(Cl)cc1 1772739489 UGAFVAMNMNRMIN-OYBLBNEUSA-N 426.954 5.699 30 10 IKEE Cc1ccnc(NC(=O)c2oc3c(c2C)C(=NNc2cccc(C(F)(F)F)c2)CCC3)c1 1772750722 ISEZVIIUSFOTDS-UHFFFAOYSA-N 442.441 5.715 30 10 IKEE CC(C)Cc1c(Cl)c(C(=O)Nc2ccccc2C#N)nn1Cc1c(F)cccc1Cl 1859379591 RZKCBMZIMKLKBG-UHFFFAOYSA-N 445.325 5.700 30 10 IKEE N#Cc1ccc(NC(=O)c2nn(Cc3ccccc3Cl)c(-c3ccccc3)c2Cl)cc1 1859382824 SOOPFHQJMDZKCP-UHFFFAOYSA-N 447.325 6.029 30 10 IKEE N#Cc1c(NC(=O)CCCOc2ccc(Br)cc2Cl)oc2c1CCCC2 1859482115 ALYLLXWJXSTRDO-UHFFFAOYSA-N 437.721 5.244 30 10 IKEE CC(C)(C)c1ccc(OCCSc2nc(O)c(C#N)c(-c3cccc(Cl)c3)n2)cc1 1860466247 MGTLIOZEKDUDED-UHFFFAOYSA-N 439.968 5.843 30 10 IKEE Cc1ccc(-c2csc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n2)cc1C 1860797674 UORFAGRTZCPQSA-UHFFFAOYSA-N 439.631 5.970 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)c1ccc(Cl)c(Cl)c1 1861054187 BJVFRDJWYKBSOB-GOSISDBHSA-N 433.445 5.322 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCC)NC(=O)COc1cc(C)c(Cl)c(C)c1 1861637601 VIUXAZKBENDRIF-FQEVSTJZSA-N 425.013 5.097 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)CCCOc1ccc(Cl)cc1 1861713290 DDOFJJHFYITYAR-QFIPXVFZSA-N 439.040 5.651 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccccc2)cc1 1862390167 XBFOHUZUORFRIA-DNVKUUNQSA-N 431.576 6.186 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@@H]2c2ccc(C)cc2)cc1 1862429640 REZKBIREPUWPCO-DEOSSOPVSA-N 445.946 5.778 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(Cl)c1 1862446291 OUTVJKXVAOAWMT-YFZFPPMRSA-N 444.358 6.150 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccccc1 1862455773 BZIMCNWJLZAQPH-VGSWGCGISA-N 445.481 6.041 30 10 IKEE CCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1C 1862475894 WWBANAYFWOZMTE-AREMUKBSSA-N 447.619 7.022 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(F)cc1 1862524385 DCORRWWFMMWGMH-LJQANCHMSA-N 446.316 5.357 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2cccc3ccccc23)cc1 1862530900 AGVHAHDLXCUAHW-RUZDIDTESA-N 443.543 5.406 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Cl)c2)cc1 1862535504 DRQJCEWBPQNHLZ-JOCHJYFZSA-N 432.907 5.076 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(Cl)cc2Cl)c1 1862562544 IJJAYUUDVYIBHS-IBGZPJMESA-N 431.319 5.097 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(C(C)C)cc1 1862584156 QUDSTKBORFXYLX-LHSJRXKWSA-N 446.374 6.494 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862597626 LFUPHHMBGOTZGZ-FQEVSTJZSA-N 447.453 5.570 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cc(Cl)cc(Cl)c1 1862657751 INPDENDDMALZAU-OAQYLSRUSA-N 440.326 6.135 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(F)c2)c1 1862674405 VVXMZMRHRYBIJH-QHCPKHFHSA-N 433.454 5.360 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cc(Cl)cc(Cl)c1 1862690120 IHJNMKCQMYYICL-CWTRNNRKSA-N 434.319 5.379 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2C(C)C)cc1 1862723579 CKOFNDAVRMSMIN-RUZDIDTESA-N 425.528 5.903 30 10 IKEE N#Cc1ccccc1NC1=C(c2ccc(Cl)cc2)C(=O)N(c2cccc(Cl)c2)C1=O 1862794081 WCGJWSKVGRUMSD-UHFFFAOYSA-N 434.282 5.262 30 10 IKEE Cc1cc(C2=C(Nc3ccccc3Cl)C(=O)N(c3cccc(C#N)c3)C2=O)ccc1F 1863095165 KSAGPTFTULQDLJ-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE N#Cc1ccccc1NC1=C(c2ccccc2Cl)C(=O)N(Cc2ccccc2Cl)C1=O 1863452450 NAYQCEAGLUPIQC-UHFFFAOYSA-N 448.309 5.257 30 10 IKEE C=CCN1C(=O)C(NC(c2ccccc2)c2ccccc2)=C(c2cccc3ccccc23)C1=O 1863583242 RGDJNBCAINXYJH-UHFFFAOYSA-N 444.534 5.485 30 10 IKEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CCC)[C@H]1c1ccc(C)cc1 1864254072 UYASNZOOBIOMLW-JOCHJYFZSA-N 438.616 5.081 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 1865994504 YCRTYJYIIOYYDJ-VWLOTQADSA-N 438.612 5.781 30 10 IKEE N#Cc1cc(Br)c(NC(=O)c2ccccc2C2CCCC2)c(Br)c1 1866230069 SIUVNXKMFYBNKN-UHFFFAOYSA-N 448.158 5.993 30 10 IKEE C=CCN(CC=C)c1cc(N(CCC)CCCN(C)C)nc(-c2ccccc2Cl)n1 1869244488 OTGZYWZWJANJGR-UHFFFAOYSA-N 428.024 5.144 30 10 IKEE N#Cc1nnn(-c2ccc(Nc3ccccc3)cc2)c1NC(=O)c1ccc(Cl)c(Cl)c1 1870137400 LTBUBUHMJMLXFC-UHFFFAOYSA-N 449.301 5.442 30 10 IKEE C=CCOc1cn(CCc2ccc(F)cc2)c(CN(CCCC)CCCCCC)cc1=O 1870385206 NFTOMOGMNOZXFV-UHFFFAOYSA-N 442.619 5.977 30 10 IKEE C=CCn1cc(OCC(=O)OCCC(C)C)c(=O)cc1CN(CCCC)CCCCCC 1870580419 UCOBFWHULLEZFS-UHFFFAOYSA-N 448.648 5.185 30 10 IKEE CCCCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CN1CCC(O)CC1 1870613008 CROJFNDDLUQSGN-UHFFFAOYSA-N 432.649 5.291 30 10 IKEE CCCCCCCOc1cn(CCC)c(CNc2ccc(N3CCCC3)cc2)cc1=O 1870832538 YNNGAFMCVZZZRX-UHFFFAOYSA-N 425.617 5.820 30 10 IKEE CCCCCCCCn1cc(OCCCCCC)c(=O)cc1CNc1ccc(C)cc1C 1871125361 XEZUUCKFOIGDIS-UHFFFAOYSA-N 440.672 7.397 30 10 IKEE CCCCCCCCCCn1cc(OCCCCC)c(=O)cc1CNc1ccccc1C 1871132435 ORYKYRHBDOHZLD-UHFFFAOYSA-N 440.672 7.479 30 10 IKEE N#Cc1ccc(COc2cn(Cc3ccco3)c(CNc3cccc(Cl)c3)cc2=O)cc1 1871253758 HGHVUUMPBADRAQ-UHFFFAOYSA-N 445.906 5.206 30 10 IKEE COc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCc2ccc(F)cc2)C4)cc1 1871344624 PSDJZGXMZYVQEF-OYKKKHCWSA-N 445.490 5.154 30 10 IKEE CCCCC[C@@H](CC)N1COc2c(cc3c(c2C)O/C(=C\c2cccc(Cl)c2)C3=O)C1 1871353711 YHQVFWOLBZXWJQ-SGMQAHBGSA-N 439.983 6.775 30 10 IKEE CCCCOCCCN1COc2c(cc3c(c2C)O/C(=C\c2ccc(CC)cc2)C3=O)C1 1871355958 OODGLCQHQSVDGI-IWIPYMOSSA-N 435.564 5.532 30 10 IKEE Cc1c(OC(=O)c2ccc(F)c(F)c2F)ccc2c1O/C(=C\c1ccccc1Cl)C2=O 1871370533 QHFRVTVGFDIWNG-ZDLGFXPLSA-N 444.792 5.901 30 10 IKEE Cc1c(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(F)cc2)C3=O)cccc1[N+](=O)[O-] 1871373524 KZGFGNWNADKPMB-MTJSOVHGSA-N 433.391 5.186 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc3C2=O)cc1 1871376391 IRQAZDLQACWAJJ-NTFVMDSBSA-N 448.518 6.728 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(O[C@@H](C)C(=O)Nc3ccc(F)cc3)cc(C)c2C1=O 1871403399 XREIVKBSBOBOQE-ICODJCHTSA-N 431.463 5.465 30 10 IKEE Cc1cc(OCCCOc2ccc(Cl)cc2)cc2c1C(=O)/C(=C/c1ccccc1F)O2 1871404534 CWLVFVIPIPCZEK-UCQKPKSFSA-N 438.882 6.252 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(O[C@@H](C)C(=O)Nc3ccccc3C)c2C)C1=O 1871410087 WXYXAMVNRQSMRU-OQLNFPPLSA-N 427.500 5.634 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccccc2F)C3=O)c1 1871410905 CODHDFFQFZJPPK-SMNNTEATSA-N 445.490 5.773 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc(OCCOc3cccc4ccccc34)c2C)C1=O 1871415451 CHNKSXRXDXYXMV-JLPGSUDCSA-N 442.536 6.592 30 10 IKEE Cc1cc(OCC(=O)N[C@H](C)c2ccccc2)cc2c1C(=O)/C(=C/c1cccc(F)c1)O2 1871424729 UUOMXVUYMHJIBO-SUVVMJBMSA-N 431.463 5.007 30 10 IKEE CCCCCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 1871427331 YWMLDUDNHIJYDO-JAIQZWGSSA-N 435.303 5.722 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O 1871433740 PKKFPQZUHNSRGW-FYYJVHHASA-N 442.939 6.237 30 10 IKEE COc1ccccc1/C=C1\Oc2c(ccc(OCCC(=O)Nc3ccccc3)c2C)C1=O 1871446387 BBRDMTZOTGHRLK-KQWNVCNZSA-N 429.472 5.027 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cccc(F)c1)[C@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1871989147 PNLLRAAORQFVRJ-JPYJTQIMSA-N 446.588 5.063 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(Nc2ccccc2)cc1)[C@H](C)CC)S(=O)(=O)CCC 1872157511 KVSAPVUTZCUVCG-XXBNENTESA-N 443.613 5.011 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccccc1CC)[C@@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872496175 VPZDMULEDPPPDX-UUOWRZLLSA-N 442.625 5.096 30 10 IKEE C[C@H](c1ccccc1)N1C[C@@H](C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)CC1=O 1872767138 SZPKFCCPRCDWIE-BPAFIMBUSA-N 449.963 5.249 30 10 IKEE COc1ccc(OC)c(-c2csc([C@H](C#N)C(=O)CCCOc3ccc(C)cc3)n2)c1 1872771534 WSBPVZRGBIHQPK-HXUWFJFHSA-N 436.533 5.171 30 10 IKEE COc1ccc(OC)c(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)c1 1872776387 ORLPIZNTAWAIGZ-FKVRIVCVSA-N 432.545 5.840 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@H](C#N)C(=O)COc2ccc(Cl)cc2)n1 1872787951 BPZSQTZIHDURSG-MRXNPFEDSA-N 433.316 5.381 30 10 IKEE C=CCc1ccccc1OCc1ccc(C(=O)Nc2ccc(C(=O)O[C@@H](C)CC)cc2)cc1 1872859398 OZHHVPAFYYUVLC-FQEVSTJZSA-N 443.543 6.202 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCCN(C)C)=C(c2ccccc2C)C1=O 1873102425 SREFEDXIJMQAEG-UHFFFAOYSA-N 441.660 5.147 30 10 IKEE CCCCCCCCN=c1nc2c(cnn2-c2ccccc2)c(Nc2cccc(OC)c2)[nH]1 1873477953 DATOEIDNDWLKRS-UHFFFAOYSA-N 444.583 5.762 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccc(F)cc1 1874213953 NHUOQQVFXMEYGD-BUVRLJJBSA-N 430.936 5.243 30 10 IKEE CCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1cccc([N+](=O)[O-])c1 1874231904 HYSWPWBYMMHRCC-LFVJCYFKSA-N 431.521 5.119 30 10 IKEE Cc1ccccc1OCCCc1nnc(SCc2ccccc2)n1/N=C/c1ccco1 1874249849 OBMUNRZXMPMONT-KOEQRZSOSA-N 432.549 5.366 30 10 IKEE CCCCC1CCC(c2nnc(SCCCO)n2/N=C/c2ccc(C(C)C)cc2)CC1 1874286565 NHWPGLYPBGAVPH-NLRVBDNBSA-N 442.673 6.222 30 10 IKEE CCSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1c(Cl)cccc1Cl 1874330528 WTJMJZGUHYJSNH-ZMOGYAJESA-N 433.408 5.981 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccccc1 1874376746 MAYADOCXZPKOTM-CVKSISIWSA-N 436.943 5.836 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3F)n2/N=C/c2cccc(O)c2)cc1 1874388986 FTRVLCHLFSQFAH-CVKSISIWSA-N 432.524 5.197 30 10 IKEE Cc1ccc(CSc2nnc([C@H](C)c3ccccc3)n2/N=C/c2ccccc2C)cc1 1874391943 YQPPICRHZSZAKC-ADIMLFFHSA-N 426.589 6.221 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2cccc(F)c2)n1/N=C/c1ccccc1F 1874393020 AZBACLSXAKIYLH-JEWIKEISSA-N 434.515 5.883 30 10 IKEE CCOc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccccc2)cc1OC 1874438909 ZJIIMWXBEMTWKB-PCLIKHOPSA-N 438.597 5.449 30 10 IKEE Fc1cccc(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2cccc3ccccc23)c1 1874444266 CCZVQNLAEHSTMZ-WGLQLPMYSA-N 432.524 5.596 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1/N=C/c1ccc(Cl)cc1 1874477826 JUFPQTGZYDAQFS-ZVHZXABRSA-N 441.988 5.196 30 10 IKEE COC(=O)c1ccc(CSc2nnc(CC(C)C)n2/N=C/c2ccc(C(C)C)cc2)o1 1874487987 PICPCAGTLKDQRR-ZMOGYAJESA-N 440.569 5.154 30 10 IKEE CC(C)c1nnc(SCc2ccccc2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874513862 UAYRWHDZCISCEZ-WPWMEQJKSA-N 442.588 6.155 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccccc3F)nnc2C(C)C)cc1OCC 1874513877 USJBZYJCWUCOEN-AFUMVMLFSA-N 442.560 5.513 30 10 IKEE CCOc1ccc(/C=N/n2c(CC)nnc2SCc2cccc(Cl)c2)cc1OC 1874527705 BHLJMBLULGPFBY-YDZHTSKRSA-N 430.961 5.076 30 10 IKEE CCOc1ccccc1/C=N/n1c(S)nnc1CCCOc1ccc2ccccc2c1 1874569430 WRQCTTFPPRSAQZ-KOEQRZSOSA-N 432.549 5.013 30 10 IKEE Cc1ccc(C)c(COc2ccc3ccccc3c2/C=C/C(=O)c2ccc3ccccc3c2)c1 1874571200 BANJPMWEZVYOMR-WUKNDPDISA-N 442.558 8.085 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccccc1OCc1c(F)cccc1Cl 1874588906 KRZURABCCLPKHK-ZHACJKMWSA-N 445.317 6.925 30 10 IKEE CCCNC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1cc(C(C)(C)C)ccc1C 1874590933 YMBPUMHLZCEBPY-DHZHZOJOSA-N 427.972 5.747 30 10 IKEE CCc1ccc(NC(=O)COc2cccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 1874594681 XDIRDDHECJZTMT-OVCLIPMQSA-N 430.460 5.071 30 10 IKEE CCCN(CCC)C(=O)COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC 1874595962 JQRZEEPJBQWIHM-YRNVUSSQSA-N 427.516 5.066 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)cc1C 1874600187 YNVYJTAZKUHLEP-YRNVUSSQSA-N 447.487 5.704 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1 1874613843 QEOSMDAQBXSBNZ-RIYZIHGNSA-N 435.907 5.652 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1F 1874621883 ZTYWXDPMWDLSQH-JXMROGBWSA-N 439.870 5.401 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OCCc1ccccc1 1874632955 DXBXEYDBZBFKII-FYWRMAATSA-N 426.556 6.558 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCc3nc(O)c4ccccc4n3)cc2)cc1C 1874636584 IKCKLOUIAVHFJE-JLHYYAGUSA-N 440.499 5.436 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)ccc1OCCc1ccccc1 1874639143 KPXMFLDALPNIFU-FMIVXFBMSA-N 436.935 6.265 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2cccc3ccccc23)c1)c1ccc2c(c1)CCCC2 1874693744 UCZAWUASSMVHPE-OBGWFSINSA-N 432.519 6.834 30 10 IKEE CCc1ccccc1OCC(=O)Oc1cccc(/C=C/C(=O)c2cccc3ccccc23)c1 1874707993 HOOHWNFQRNBZPY-ISLYRVAYSA-N 436.507 6.283 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1OC(=O)c1cccnc1 1874716562 YKVZFIZIZHWVML-FMIVXFBMSA-N 429.516 5.811 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1ccccc1F 1875098659 HBEGFMARIXTTCX-GXDHUFHOSA-N 430.475 5.828 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3cccc(OC)c3)c(OC)c2)cc1 1875101852 SJARSDSKXGEPAC-GXDHUFHOSA-N 446.499 5.147 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(Cl)c3)c(Cl)c2)c1 1875101908 HJIVOSVFXJVGRL-CSKARUKUSA-N 427.283 6.117 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccccc1C 1875105849 PFYNXVDASZPQQU-YRNVUSSQSA-N 441.310 6.426 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1 1875125410 HXNLXFBEMHOTPZ-QLKAYGNNSA-N 441.310 6.507 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)[C@@H]1CCCO1 1875126752 VZUWDHPLZGCSFK-GSXXRBPTSA-N 435.303 5.373 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)c1cccs1 1875137900 KENRGLKOSDEVLY-CMDGGOBGSA-N 426.921 6.142 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)c1ccc(F)cc1 1875139893 GOHJPKFNBOGPEV-NTEUORMPSA-N 444.502 6.295 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)CC1CCCCC1 1875141336 ZELNVKNBHRGMNE-DHZHZOJOSA-N 444.930 6.568 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)c(C)c3)c([N+](=O)[O-])c2)cc1F 1875153259 YADFSPVOUUUCAU-WEVVVXLNSA-N 449.434 5.475 30 10 IKEE COc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2Cl)cc1 1875158121 GSFWNQONOZSOSD-SWGQDTFXSA-N 440.854 5.368 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OC(=O)COc3c(C)cccc3C)cc2)c1C 1875168859 XUQXZFSHRPLYFZ-NTCAYCPXSA-N 442.555 6.418 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC[C@@H]1CCCCN1C(=O)OC(C)(C)C)NCCC 1922060844 SVSONBVPGWOLAT-ZEQRLZLVSA-N 430.633 5.697 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)[C@@H]2CCC[C@H]21 1926544385 DVNVKSQPHAABGN-IECBHUPTSA-N 445.535 5.249 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)[C@H]2CC[C@@H]21 2008459605 DIBXCBAQMGZBCP-AXHZCLLHSA-N 427.545 5.110 30 10 IKEE O=C(C[N@+]12CC[C@H](CC1)C(=C(c1ccccc1)c1ccccc1)C2)c1ccc([N+](=O)[O-])cc1 2041477228 TUJIQZRVPNYQGV-RYECUYIGSA-N 439.535 5.520 30 10 IKEE Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)C=Cc1ccc2ncccc2c1 2053493116 QNDXIMOAPNZAPA-UHFFFAOYSA-N 434.926 7.308 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NC)c2ccc(Br)c(Cl)c2)C1 2063052388 VJPNONBQEBZFGI-INIZCTEOSA-N 429.786 5.224 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)[C@@H]1C(C)(C)C 2067837960 LTWSAISWJCYTAC-UQBPGWFLSA-N 449.636 5.874 30 10 IKEE CC(C)[C@@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)(F)F)c(C=NO)c1Cl 2079856112 QZHXDHJCGYRZGI-LBPRGKRZSA-N 431.739 5.767 30 10 IKEE CCCc1ccc([C@@H](CC)n2nc(C3(C)CC3)c(C#N)c2I)cc1 2079881210 TTYKNCFHORYDEL-QGZVFWFLSA-N 433.337 5.363 30 10 IKEE Cc1ccc([C@@H](C2CCC2)n2nc(C(C)(C)C)c(C=NO)c2Br)c(F)c1F 2079937878 CJBYQLCANRKBQF-QGZVFWFLSA-N 440.332 5.727 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]([C@@](C)(C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)CC1 2082157542 SMMBFUQSBZTXOD-MPCDZSKCSA-N 449.636 5.922 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)C1CCC(F)(F)CC1 2087499353 LXEFINDIPYPUAI-INIZCTEOSA-N 429.305 5.908 30 10 IKEE C=CCC1([C@@H](Cc2cccc(Br)c2Cl)NC)CN(C(=O)OC(C)(C)C)C1 2110501120 PNBNZUJXKYNWFP-MRXNPFEDSA-N 443.813 5.046 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)[C@@H]1[C@H]2CCC(F)(F)[C@H]21 2119359878 RGETUSGKVQLHID-LVQVYYBASA-N 427.289 5.374 30 10 IKEE C=CCCCCCC[C@@H](NN)c1cc(I)ccc1Br 2141921018 YZWHIUIXHFLTOW-OAHLLOKOSA-N 437.163 5.085 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)ccc(F)c1Br 2159123657 CKUPCVVDGCEVLJ-MAUKXSAKSA-N 445.348 5.075 30 10 IKEE CCN(c1ccc(C#N)cc1Br)[C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 2174808497 OWISXNGFXQMWSE-WMZOPIPTSA-N 436.394 5.231 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)C[C@H]2CCC[C@@](F)(C2)C1 2175556692 PJVYFDYWYOFDOM-IWMITWMQSA-N 437.353 6.145 30 10 IKEE C#CCN(C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Br)C1CCCCC1 2180045619 LPURGGWMWFSLGU-UHFFFAOYSA-N 435.362 5.204 30 10 IKEE C#CC1CCC(NC(=O)c2cc(NC(=O)OC(C)(C)C)c(C)cc2Br)CC1 2180073210 IAKHKSUBXRHVHL-UHFFFAOYSA-N 435.362 5.026 30 10 IKEE C=CCCCCCC[C@H](NCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2206891604 MAELSVAKRAQAQC-IBGZPJMESA-N 439.438 6.973 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1sc(C)c(C)c1Br 2229234963 CZGITSLQBKYXJE-INIZCTEOSA-N 435.387 6.442 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)C(C)(C)[C@@H](CC)NC(=O)OC(C)(C)C 2235731445 QKSCFPJNVMHCPD-RTBURBONSA-N 437.422 5.108 30 10 IKEE CN[C@H](C#Cc1ccccc1Br)CCC[C@H](NC(=O)OC(C)(C)C)C(C)C 2235745311 BXZHOVMLDDVDBH-ICSRJNTNSA-N 437.422 5.108 30 10 IKEE C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2255811174 AGZGIOHBMYWNDY-KRWDZBQOSA-N 437.370 5.044 30 10 IKEE N[C@H](C#Cc1ccc(Br)cc1)c1cc(Br)c(Br)s1 2264171330 ANVWIHMQUOJVHL-LLVKDONJSA-N 449.993 5.087 30 10 IKEE C=CCCC1([C@H](Cc2cc(Br)ccc2C)NC)CN(C(=O)OC(C)(C)C)C1 2281032582 KOOGKHWNFAOBAN-IBGZPJMESA-N 437.422 5.091 30 10 IKEE CC[C@H](CCNC(=O)OC(C)(C)C)CC[C@H](C#Cc1ccc(Br)cc1)NC 2296307486 VEGRAEVBSDTMIU-FXAWDEMLSA-N 437.422 5.110 30 10 IKEE Cc1c(NC(=O)OC(C)(C)C)ccc([C@H](N)C#Cc2ccc(Br)cc2)c1C 2296309102 QLYDLSHERASHER-LJQANCHMSA-N 429.358 5.464 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@](C)(CC)CNC(=O)OC(C)(C)C 2296310969 QEJCZONPPIWRGP-DENIHFKCSA-N 437.422 5.110 30 10 IKEE O=C(C=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(NC(=O)c2ccco2)cc1 2296819149 BNBFJTGHJVKGIV-UHFFFAOYSA-N 428.400 5.596 30 10 IKEE C[C@@H]1Oc2ccccc2C=C1C=C1Oc2cc(OC(=O)c3ccccc3F)ccc2C1=O 2296868487 KYAGIFOYOBVIJX-HNNXBMFYSA-N 428.415 5.368 30 10 IKEE CCN1C(=O)C(=C2Sc3ccc(OC)cc3N2CC)SC1=Nc1cccc(C)c1 2297453779 GZDFUFJCLKDMIW-UHFFFAOYSA-N 425.579 5.388 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1Cl)C2=O)c1ccc(Cl)cc1 2314438324 OUXBXQZOAOENDD-UHFFFAOYSA-N 445.685 6.482 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1Cl)C2=O)c1ccccc1F 2314438489 UWOQPTKKKBPKMB-UHFFFAOYSA-N 429.230 5.968 30 10 IKEE C=CCCC1([C@@H](NC)c2ccc(OCc3ccccc3)cc2)CN(C(=O)OC(C)(C)C)C1 2314472698 SSBVUKJHHXRKRZ-DEOSSOPVSA-N 436.596 5.729 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C)n2N=Cc2ccc(C(C)(C)C)cc2)c(C)c1 2321199168 YCLSUZVJOUHOAB-UHFFFAOYSA-N 435.597 5.114 30 10 IKEE Cn1cc(C=C2Oc3c(ccc4c3CN(CCC3=CCCCC3)CO4)C2=O)c2ccccc21 2322107137 MKRNAWTVQIDUFF-UHFFFAOYSA-N 440.543 5.837 30 10 IKEE CCc1ccc([C@H](C)N2COc3ccc4c(c3C2)OC(=Cc2ccc(Cl)cc2)C4=O)cc1 2322259945 MJNDVOYCOXERAS-KRWDZBQOSA-N 445.946 6.432 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2ccccc2c1C=CC(=O)c1cccc(OC)c1 2322371536 OEGBGBWNACKOGL-UHFFFAOYSA-N 445.559 5.772 30 10 IKEE Cc1ccc(COc2ccc3ccccc3c2C=CC(=O)c2ccc(Cl)cc2Cl)cc1 2322388066 CPHHDEADBRDIRT-UHFFFAOYSA-N 447.361 7.930 30 10 IKEE COC(=O)c1ccc(COc2ccc(Cl)cc2C=CC(=O)c2ccccc2OC)o1 2322481606 RAHAJYQDQUHARZ-UHFFFAOYSA-N 426.852 5.203 30 10 IKEE COc1cc(C(=O)C=Cc2cccc(OC)c2OCc2ccccc2)c(OC)cc1Cl 2322880772 IJRHQEZVJCCWMN-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE CC(C)COC(=O)COc1ccc(Cl)cc1C=CC(=O)c1cc(Cl)ccc1Cl 2323002883 DHRUCLQQSKSSAL-UHFFFAOYSA-N 441.738 6.121 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC)c3ccccc23)cc1OCc1cccc(C)c1 2323328136 DITUJTJIJXZWFR-UHFFFAOYSA-N 438.523 6.641 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(C=CC(=O)c3cccc(OC)c3)cc2Cl)cc1 2323486995 YXKYTQVLXUMEFW-UHFFFAOYSA-N 449.934 5.825 30 10 IKEE CC(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1 2323503116 OOJAGUUPYQMSLT-UHFFFAOYSA-N 428.459 6.184 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Cl)c1OCc1ccccc1F 2323719336 JORWUJNGZCWSRJ-UHFFFAOYSA-N 432.825 6.241 30 10 IKEE CCCOc1c(Cl)cc(C=NNc2nc(-c3cccs3)c(C)s2)cc1OCC 2323858391 QGVGFCOGBHHCQQ-UHFFFAOYSA-N 436.002 6.467 30 10 IKEE CCCNC(=O)COc1c(Cl)cc(C=CC(=O)c2cccc3ccccc23)cc1OC 2324124743 DCQYEFUIBJSGJT-UHFFFAOYSA-N 437.923 5.303 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(Br)c1OCCO 2324356231 RBCWKTHQLJDDLJ-UHFFFAOYSA-N 447.369 5.349 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCc3c(Cl)cccc3Cl)c(Cl)c2)cc1C 2324447142 CXARBMZDOKDFID-UHFFFAOYSA-N 445.773 7.739 30 10 IKEE C=C(C)COc1c(Br)cc(C=CC(=O)c2cc(C)c(OC)cc2C)cc1OC 2324644138 CPHSCYFXBVOVDC-UHFFFAOYSA-N 445.353 5.934 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCC(=O)Nc4cccc(Cl)c4C)cc(C)c3C2=O)c1 2325055503 JFJRHFLPZNQRED-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE Cc1c(OCc2cccc(Oc3ccccc3)c2)ccc2c1OC(=Cc1ccncc1)C2=O 2325349276 CUAGFNQNYPJSLM-UHFFFAOYSA-N 435.479 6.378 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccccc1OCCC 2325525864 DCZBQLRVTUXNCT-UHFFFAOYSA-N 443.016 6.237 30 10 IKEE O=C(Cc1ccc(F)cc1F)Oc1cccc(C=CC(=O)c2ccc(Cl)cc2Cl)c1 2325709079 UWVCOAMQKYOVTH-UHFFFAOYSA-N 447.264 6.316 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc2c(c1C)OC(=CC=Cc1ccccc1)C2=O 2325714503 FZPVOIYYTDWXGZ-UHFFFAOYSA-N 425.484 5.493 30 10 IKEE CCCOc1c(Cl)cc(C=Nn2cnnc2SCc2ccccc2F)cc1OCC 2326256460 HHEGARBIRKEUNZ-UHFFFAOYSA-N 448.951 5.433 30 10 IKEE Cc1ccc(CSc2nncn2N=Cc2ccc(OC(=O)c3ccc(F)cc3)cc2)cc1 2326287306 OUGHWZZCKMLAGN-UHFFFAOYSA-N 446.507 5.119 30 10 IKEE CSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1cn(C)c2ccccc12 2326358027 SYAIYTCHIGETHF-UHFFFAOYSA-N 433.581 5.002 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(OC(C)=O)cc1 2326495238 MYLRZJAVQIHZPG-UHFFFAOYSA-N 449.363 5.247 30 10 IKEE CCn1cc(C=Nn2cnnc2SCc2c(Cl)cccc2Cl)c2ccccc21 2326511550 JPTJOXCJPDAGIC-UHFFFAOYSA-N 430.364 5.734 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(CC23CC4CC(CC(C4)C2)C3)nnc1SC 2326868059 FIFINCMKMGNDBK-UHFFFAOYSA-N 446.620 5.803 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3Cl)n2N=Cc2ccccc2)cc1 2327919843 UFQSKTBYLULHMH-UHFFFAOYSA-N 447.007 6.200 30 10 IKEE CCCSc1nnc(CCc2ccccc2Cl)n1N=Cc1cccc(OC)c1OC 2327978459 JQZGBFCRBORKRL-UHFFFAOYSA-N 444.988 5.118 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc(OCC)cc1 2329101037 OIBLKFHJLPMBAI-UHFFFAOYSA-N 426.973 5.471 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2ccccc2)n1N=Cc1cccc(Cl)c1 2329741364 QCOAKPCRQCPXEA-UHFFFAOYSA-N 436.943 5.836 30 10 IKEE CSc1nnc(Cc2ccc(F)cc2)n1N=Cc1ccc(OCc2ccc(C)cc2)cc1 2329791899 WUJUOYPJWBFOKY-UHFFFAOYSA-N 446.551 5.500 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(O)cc1 2330131658 XEPUZDWJDSLSQR-QGZVFWFLSA-N 448.979 5.963 30 10 IKEE Fc1cccc(CSc2nnc(CC3CCCCC3)n2N=Cc2c[nH]c3ccccc23)c1 2330251362 YLDFSSFBQYLPGC-UHFFFAOYSA-N 447.583 6.196 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3cccs3)n2N=Cc2ccc(F)cc2)c1 2330393259 MNUFDOOOXIKUFI-UHFFFAOYSA-N 436.581 5.861 30 10 IKEE Cc1cccc(C=Nn2c(Cc3cccs3)nnc2SCc2ccc(Cl)cc2)c1 2330422305 SUFCZRYMGXYFDJ-UHFFFAOYSA-N 439.009 6.067 30 10 IKEE COc1ccc(C=Nn2c(SCCc3ccccc3)nnc2-c2ccccc2)c(OC)c1 2330674873 BPIBHCOIVSPTGJ-UHFFFAOYSA-N 444.560 5.179 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(C)c3)c(Br)c2)cc1 2330747965 ZGUKOERCMRWKJN-UHFFFAOYSA-N 449.344 6.435 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3OC)c([N+](=O)[O-])c2)cc1 2330749945 LZJNYVFNZDUQIE-UHFFFAOYSA-N 431.444 5.281 30 10 IKEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)Cc1cc(C)ccc1C 2331047070 UHWMMCBEBORXRV-UHFFFAOYSA-N 445.471 5.264 30 10 IKEE O=[N+]([O-])c1cccc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CCCC2)c1 2331076145 CJVBPIUWJRXSSS-UHFFFAOYSA-N 441.944 5.672 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC(=O)Cc1ccc(C)c(C)c1 2331156620 MNKXMZCLSWCEST-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)CCC)c(OCC)c2)cc1 2331306027 ALVFVPHUTHKURB-UHFFFAOYSA-N 430.928 6.129 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2331535249 AAZCQOQZRSSSQZ-UHFFFAOYSA-N 435.407 5.248 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)CCCSC 2331712737 COKKHNFQYMTHQK-UHFFFAOYSA-N 438.589 5.985 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cncc(C)c3)c(OC)c2)cc1Cl 2331834978 NLXKVJMWPHFOSJ-UHFFFAOYSA-N 437.879 5.176 30 10 IKEE C=CCC(CC=C)[C@H](N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2338699573 OVRTWWQMYQVGKY-URLMMPGGSA-N 443.587 5.974 30 10 IKEE CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)S/C1=N\c1cc(Cl)ccc1Cl 8385141 FXVWHACBOFDDJZ-PWEHGMCJSA-N 440.327 5.113 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1)N2 14460367 PJGBRVXGHDSQQC-IMSXRSKXSA-N 440.996 5.529 30 10 IKEE C=CCNC(=O)c1cccc2c1N[C@H](c1ccccc1OCc1ccccc1)[C@@H]1CC=C[C@@H]21 20710663 GTKFYTJGJSGTTP-LOYIFYEOSA-N 436.555 6.008 30 10 IKEE Cc1cc(C)c2nc(SCCC(=O)Nc3sc4c(c3C#N)CCCC4)cc(C)c2c1 32529619 XHYJWKIZZIXXER-UHFFFAOYSA-N 435.618 6.093 30 10 IKEE N#Cc1ccc(CN2CCCN(c3ccc(NC(=O)c4ccccc4Cl)cc3)C2=O)cc1 34734427 JNKVGXJEDMYWRZ-UHFFFAOYSA-N 444.922 5.296 30 10 IKEE CCOC(=O)C1=C(Nc2ccc(C(F)(F)F)cc2)S/C(=C/c2ccc(O)c(C)c2)C1=O 36258538 LFHJBSLTBLDGJW-GZTJUZNOSA-N 449.450 5.263 30 10 IKEE C=CCC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C1CC1 36304811 TYSALGARHASBIA-XMMPIXPASA-N 431.580 5.573 30 10 IKEE C=CCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2[C@H]1c1ccc(OCCC)c(OCC)c1 39910820 BEBHRNLKVXOPEC-HSZRJFAPSA-N 447.531 5.329 30 10 IKEE C=C(C)C(=O)N[C@H](C)c1nc2ccccc2n1CCCCOc1ccc(/C=C/C)cc1OC 40191203 CBEBEPKGVWIAHB-HSSRVXSRSA-N 447.579 5.691 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O3)CN(Cc1ccccc1)CO2 41645888 ZQUVQEUYIIGTMD-QFEZKATASA-N 425.528 6.087 30 10 IKEE C=CCn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nnc1-c1ccccc1 59775890 HQZYYPJCDOHYIN-UHFFFAOYSA-N 426.545 5.588 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(C(=O)O)cc2)S/C1=N/c1nc(-c2ccccc2)cs1 101130540 BBJQKPLPMYIUGN-JEPJVFCJSA-N 447.541 5.298 30 10 IKEE CCCCCCCCCCCCCCCCn1c([C@H]2CC(=O)N(C)C2)nc2ccccc21 102198003 KYZCLGXEOFXRBX-DEOSSOPVSA-N 439.688 7.463 30 10 IKEE CCCCCCCCOc1ccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3ccccc23)cc1 103601846 BRCQBQNUCBPVEX-UHFFFAOYSA-N 437.496 7.139 30 10 IKEE N#C[C@H](C(=O)c1cc(Br)c(Br)s1)c1ccc(F)cc1Cl 128473511 AKMZUPOYNUXZMS-QMMMGPOBSA-N 437.515 5.556 30 10 IKEE CCOc1cc([C@H]2NC(=S)N(C)C(C)=C2C(C)=O)ccc1OCc1cccc(Cl)c1 169937007 AVRFEIQEOWKAGK-JOCHJYFZSA-N 444.984 5.042 30 10 IKEE CCCOc1c(Cl)cc(/C=N\Nc2nc(-c3ccccc3)c(C)s2)cc1OCC 169942676 VZRMUHCBPGPMTA-OYKKKHCWSA-N 429.973 6.405 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccc2OC)c(C)c1 169946013 FKBXCQMQQFRNKP-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccc(C)c2)cc1 169968993 OEDOYLFSHXCLTG-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(CC)cc3)[C@@H]2c2cccs2)cc1 169984977 YTPGNCMQBMDOMH-QFIPXVFZSA-N 433.529 5.492 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@H]1c1ccccc1)c1ccc2ccccc2c1 170050154 KWADCPWPPWUSLF-VWLOTQADSA-N 449.462 5.351 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(Cl)cc1 170057106 CBRDXCGHHNLVQN-HSZRJFAPSA-N 449.934 5.497 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1 170063023 HJDRCRYXESFCDO-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@@H]2c2ccccc2C)c1 170086335 MHFWDZODHVMJSO-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(CCc2ccc(Cl)cc2)[C@@H]1c1ccco1 170096891 MFNSCLXJNYURDA-HSZRJFAPSA-N 435.907 5.073 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(C(C)(C)C)cc1 170149832 KSCNVRBROONWJD-NRFANRHFSA-N 436.508 5.271 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2cccs2)c(OC)c1 170158001 CTHDEXQAKFPTPN-QFIPXVFZSA-N 449.528 5.165 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccn2)cc1C(C)C 170169099 HWOIDOIBLLNBES-HSZRJFAPSA-N 446.478 5.136 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccccn2)cc1C 170175706 OHUKPEJXBKNYCN-XMMPIXPASA-N 442.515 5.107 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)[C@H]2c2ccccc2)c1 170224162 PXFYIBYBWVCFCQ-HSZRJFAPSA-N 443.886 6.178 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2C)c1 170272387 XTBQRAFHIOWIDQ-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(C)o2)c1 170298902 HYDQSXFBRXEBDT-JOCHJYFZSA-N 435.451 5.299 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(C)o2)c1 170302058 HNRKDHNSKRXQEJ-QHCPKHFHSA-N 427.456 5.734 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(C)o1 170304200 LLPBLZCNWDTJNO-QHCPKHFHSA-N 447.487 5.167 30 10 IKEE CCN(CC)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccc(O)c2)cc1 170384934 QZGNRGXANRTKRF-QFIPXVFZSA-N 448.544 5.083 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccc(Cl)c(Cl)c1)c1ccccc1 170422779 XPGROPSDHVWXAY-FQEVSTJZSA-N 439.298 5.167 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2cccc(C(=O)OC(C)C)c2)c1 170460178 FPVXBFBWOLBMOE-HSZRJFAPSA-N 435.520 5.075 30 10 IKEE N#Cc1c(NC(=O)COc2ccc([N+](=O)[O-])cc2)oc(-c2ccccc2)c1-c1ccccc1 170494107 BLSPHBTYJNNMEL-UHFFFAOYSA-N 439.427 5.411 30 10 IKEE Cc1ccc(-c2nn(-c3ccccc3)cc2C=Nn2c(-c3ccncc3)n[nH]c2=S)cc1 254377946 LLCAFOHVAONHIC-UHFFFAOYSA-N 437.532 5.046 30 10 IKEE CCCCN1C(=O)/C(=C2\Sc3ccccc3N2CC)SC1=Nc1ccc(O)cc1C 254760086 ULSQZXFNDKOYGK-QLMUGPIMSA-N 439.606 5.865 30 10 IKEE CC1(C)[C@H]2CC[C@@]1(C(=O)Nc1ccc(N=Nc3ccccc3)cc1)c1nc(C#N)c(C#N)nc12 256018877 SMJLXYHKMHPHCM-SIBVEZHUSA-N 447.502 5.429 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1cccc(OC)c1OCC 526817158 VIIVGKVTDOLJCG-OYKKKHCWSA-N 444.988 5.466 30 10 IKEE N#Cc1cccc(CN(c2ccc(F)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 586260311 NWRQKNRTQYFJEK-UHFFFAOYSA-N 435.307 5.400 30 10 IKEE CCCCC1CCC(C(=O)NC2CCC(OS(=O)(=O)c3ccc(C)c(C)c3)CC2)CC1 586506819 DDSHOMHXRNYUCB-UHFFFAOYSA-N 449.657 5.433 30 10 IKEE C=C(C)CC[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCCC 686830859 JXYOHHVGZSNLHB-XMMPIXPASA-N 443.676 5.661 30 10 IKEE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@@H](C#N)c1cc(Br)ccc1Cl 698469153 GFYBVTSHCSTNFI-BBRMVZONSA-N 429.742 5.083 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@](C)(C#N)Cc1ccc(F)cc1 698482166 MSPFHIDHGLNNQV-OAQYLSRUSA-N 433.321 5.855 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@]1(C#N)C[C@@H]2C[C@@H](CN2Cc2ccccc2)C1 716632193 UIRZVDGBJGYQSU-RWCIVJTCSA-N 437.628 5.893 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CC[C@H]2CCCC[C@@H]2C1 723606046 AZTLDGYNXGASMJ-DRSNIGMVSA-N 433.390 6.443 30 10 IKEE COc1ccccc1CNN=Cc1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 1084628889 FAWYRZGLQOPNJN-UHFFFAOYSA-N 449.765 6.358 30 10 IKEE COC(=O)c1ccc(O)c(N/C(=N/[C@@H]2CCCC[C@@H]2C)N2CCC[C@@H]3CCCC[C@H]32)c1 1088710121 VAJAUMQWLCFUJX-GWOFKNCZSA-N 427.589 5.180 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(-c3c(Cl)cccc3Cl)o2)SC1=Nc1ccccn1 1772731405 MDKHQMKGJLGPQO-SZRLJQQQSA-N 444.343 6.272 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)SC1=Nc1nc(C)cs1 1772735136 FWKRUEOQXQFMJL-JERZPRFUSA-N 441.965 6.155 30 10 IKEE CC(=C/c1ccccc1)/C=C1/SC(=Nc2cccc(C(=O)O)c2)N(C2CCCCC2)C1=O 1772737901 SJTJAXRHZHWPDL-UTIQICMDSA-N 446.572 6.268 30 10 IKEE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1C(=NNc1ccccc1)CCC2 1772751250 YXWPGIUQCRKSJS-UHFFFAOYSA-N 428.319 6.300 30 10 IKEE Cc1ccccc1C=NN=C1S/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccco1 1772757156 MKCPQCFEXVEKOS-VSVFQZKGSA-N 446.488 5.003 30 10 IKEE CCCCCCCCCCCCCCCC(=O)Oc1cc2c(cc1OC)OC(C)(C)CC2 1857791133 JDRWDGNLJIHONB-UHFFFAOYSA-N 446.672 8.186 30 10 IKEE CC(C)c1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)cc2/C=N\NC(N)=S)cc1 1857806704 GHWVZZFGCJNORP-VROXFSQNSA-N 432.380 5.137 30 10 IKEE S=C(N/N=C\c1cn(-c2cccc3ccccc23)nc1-c1ccccc1)Nc1ccccc1 1857811832 GCSMYOGJLZTJGZ-VEILYXNESA-N 447.567 6.013 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)c1c(C)ccc2ccccc12)[C@@H](C)CC 1860989774 IRUGZVWPIMOCEI-HFZDXXHNSA-N 438.656 6.550 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] 1861128584 UVLDEUYJQOSUMZ-RURFIKTLSA-N 431.577 5.150 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCC)NC(=O)c1c(Cl)ccc(Cl)c1OC 1861144021 GQHIMMBZNIVXPQ-QGZVFWFLSA-N 431.404 5.377 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(C)cc1 1862379997 QQMHZZJPJGOORK-HXUWFJFHSA-N 448.346 5.307 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2Cl)=C(O)C(=O)N1C[C@H]1CCCO1 1862380036 RMUCHWKZXPUBTH-FOIQADDNSA-N 446.330 5.059 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2ccccc2C(=O)O)cc1 1862394229 DJMJZXGHPKESJT-ZHRRBRCNSA-N 435.520 5.104 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@H]1c1c(Cl)cccc1Cl 1862394931 SIJDDQCRTTWILQ-OAQYLSRUSA-N 444.358 6.100 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)cc1 1862402211 SYZODWPYQXDULZ-VZDNWZCBSA-N 449.547 5.169 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2ccccc2)cc1 1862419545 UBSGULJHHNRNKS-HSZRJFAPSA-N 449.453 5.142 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccc(Cl)cc2)cc1 1862476550 LVKRMHLEKAIECQ-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862479042 XJKFQQNZTQJDEA-DEOSSOPVSA-N 433.548 5.695 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2cccc(F)c2)c1 1862489695 YWZOTQJOZFSVCK-QFIPXVFZSA-N 435.520 5.325 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2ccc(F)cc2)cc1 1862529549 HPFKJYKRWUSYRJ-XMMPIXPASA-N 429.491 5.475 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1cccc(Cl)c1 1862591980 SDZJDICVRCBAAL-JOCHJYFZSA-N 441.955 5.984 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(Cl)cc1Cl 1862598927 YNOVRDLEVJVGJG-HXUWFJFHSA-N 448.346 5.858 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)c1 1862614087 XMYWEXKTAWRTQB-GGAORHGYSA-N 433.548 5.050 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C2CCCCC2)cc1 1862617888 ZLDXRTCKOPBRAI-RUZDIDTESA-N 445.603 6.458 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CC2)cc1 1862668336 WMTCDXCXZTUTFY-DEOSSOPVSA-N 432.564 5.397 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)cc1 1862672779 GSHLULQLJUIOLF-GYCJOSAFSA-N 447.481 5.867 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccc(Cl)cc2)c1 1862674162 KRSMAZIUJVMRJL-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(F)cc1F 1862712736 YKTYYPIFAFEERD-DEOSSOPVSA-N 449.497 6.277 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2C2CCCCCC2)c1 1862747196 NROQDLUOLXHFCF-QFIPXVFZSA-N 434.492 5.204 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862748890 LRSVMKDQPORACH-HSZRJFAPSA-N 448.519 5.458 30 10 IKEE N#Cc1cccc(NC2=C(c3cccc4ccccc34)C(=O)N(c3ccc(F)cc3)C2=O)c1 1862841290 GJJVHUSTDVFSHW-UHFFFAOYSA-N 433.442 5.247 30 10 IKEE N#Cc1cccc(N2C(=O)C(Nc3cccc4ccccc34)=C(c3ccccc3F)C2=O)c1 1862927616 XCJNDRGLQTZJIK-UHFFFAOYSA-N 433.442 5.247 30 10 IKEE Cc1cc(N2C(=O)C(Nc3ccccc3C#N)=C(c3cccs3)C2=O)ccc1C(C)C 1863112262 DODAGDGZHWYEAT-UHFFFAOYSA-N 427.529 5.448 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2Oc2ccccc2)=C(c2ccc(F)cc2F)C1=O 1863314694 VGOWPKHTAATPQR-UHFFFAOYSA-N 432.426 5.135 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccc(C)cc2)=C(c2ccc(F)c(C)c2)C1=O 1863792196 WEPNCSUEFADRKB-UHFFFAOYSA-N 436.571 5.673 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1ncc(Br)s1 1866032254 HUIRHQAYYCHOPJ-UHFFFAOYSA-N 445.511 8.106 30 10 IKEE CC[C@](C)(NC(=O)[C@H](c1ccc(Cl)cc1)C1CCCC1)C(=O)Nc1ccc(C#N)cc1 1867007051 DMXDVKUCTXUESW-DHLKQENFSA-N 437.971 5.409 30 10 IKEE CC(C)c1nc(Nc2ccccc2C#N)cc(N2C[C@H](C)O[C@H](c3ccc(F)cc3)C2)n1 1868238593 TZJMZCDNDXYKHD-JTSKRJEESA-N 431.515 5.321 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)c(Cl)c2)c(=O)cc1CSCc1ccccc1 1870252970 PFCYPZZYPMRIBF-UHFFFAOYSA-N 446.399 6.354 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(F)cc2)cn1Cc1ccc(C)cc1 1870626344 SFPZAHGFBTXVKB-UHFFFAOYSA-N 432.539 5.097 30 10 IKEE CCCCCCCCCCn1cc(OCCCCC)c(=O)cc1CN(CC)CCCC 1870678667 GPVKSRGWHHPRHO-UHFFFAOYSA-N 434.709 7.180 30 10 IKEE CCCCCCCOc1cn(CCc2ccccc2)c(CNc2cccc(OC)c2)cc1=O 1870830119 CZOWHGVMMNPPFZ-UHFFFAOYSA-N 448.607 6.061 30 10 IKEE CCCCCCCCCCn1cc(OC)c(=O)cc1CNc1ccc(N(CC)CC)cc1 1870999936 NPTPFULQKYUHCB-UHFFFAOYSA-N 441.660 6.456 30 10 IKEE C#CCOc1cn(CCCCCCCCCC)c(CNc2ccc(C(C)C)cc2)cc1=O 1871006033 LXXSLEZDUCENED-UHFFFAOYSA-N 436.640 6.737 30 10 IKEE C=CCn1cc(OCCCOc2ccc(C)cc2)c(=O)cc1CNc1ccc(C)cc1C 1871216247 LHMBUPHHVAQKJB-UHFFFAOYSA-N 432.564 5.420 30 10 IKEE C=CCn1cc(OCCCOc2cccc(C)c2)c(=O)cc1CNc1ccc(OC)cc1C 1871219818 NTPNUGVGTNEKEI-UHFFFAOYSA-N 448.563 5.120 30 10 IKEE CCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(N(CC)CC)cc1 1871251855 ZXPNDHQAGQCQKB-UHFFFAOYSA-N 444.579 5.167 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)CCc4ccc(C)cc4)ccc3C2=O)cc1 1871366298 CRRJHFDDLOYRLR-XYGWBWBKSA-N 428.484 5.548 30 10 IKEE O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1ccccc1OC(F)F)C2=O 1871385099 FXWSNSVCQWOKJL-HHLUSPNUSA-N 434.394 5.523 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2OCC)C3=O)c1 1871387377 RMTYNRDFVKFTAI-JLPGSUDCSA-N 444.483 5.628 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(=O)c(-c4ccc(OC)cc4)coc3c2)c1 1871388841 MGMBBBHHXLPGAX-UHFFFAOYSA-N 428.440 5.253 30 10 IKEE CCCCN(CC)Cc1c(O)ccc2c1O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 1871395692 BZOFGUMKRTYRQI-ITYLOYPMSA-N 427.544 6.297 30 10 IKEE CCCCN(CCO)Cc1c(O)cc(C)c2c1O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 1871397645 FKBZUQFTMACETJ-KQWNVCNZSA-N 437.580 5.209 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1cccs1)C2=O 1871402562 WQPOXHFPAJSYRC-VVRYKASASA-N 447.556 5.950 30 10 IKEE Cc1cc(OCc2ccccc2C#N)cc2c1C(=O)/C(=C/c1ccc(Cl)c(Cl)c1)O2 1871436892 AQHPZPDVRMRKSA-YVNNLAQVSA-N 436.294 6.369 30 10 IKEE Cc1c(OCC(=O)Nc2ccccc2C(C)C)ccc2c1O/C(=C\c1cccs1)C2=O 1871456215 SHYZOQYZZFTLIE-XKZIYDEJSA-N 433.529 5.814 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cc(Cl)ccc4C)cc(C)c3C2=O)o1 1871457442 HEEBCFNKJJVVBU-FBHDLOMBSA-N 437.879 5.492 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(Cl)cc2)[nH]c(N(C)CCCC)n1 1871523461 PQLYIBVANNJQCV-UHFFFAOYSA-N 447.071 6.479 30 10 IKEE C=CCN(CC=C)c1nc(=NCc2ccc(C)cc2)nc(Nc2ccc(Cl)c(C)c2)[nH]1 1871665014 HYZLYKCXEBPMDI-UHFFFAOYSA-N 434.975 5.098 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 1872407385 MZSNJNZZJBHKBY-QFIPXVFZSA-N 449.016 5.269 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccccc1 1872446078 UJJDELKQWYBXMC-HSZRJFAPSA-N 428.598 5.184 30 10 IKEE CCOc1ccc(CCC(=O)[C@H](C#N)c2nc(-c3cccc(OC)c3)cs2)cc1OC 1872762508 OUHNKWDOKCKINI-IBGZPJMESA-N 436.533 5.035 30 10 IKEE COc1cc(-c2csc([C@@H](C#N)C(=O)c3ccc4cc[nH]c4c3)n2)c(OC)cc1Cl 1872782034 BJVCSQBOTMKYGJ-HNNXBMFYSA-N 437.908 5.452 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4cc[nH]c4c3)n2)c(OCC)c1 1872784040 OEMAAPJOXSXGHL-IBGZPJMESA-N 431.517 5.579 30 10 IKEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)NCc3ccccc3Cl)cc2[nH]1 1872806937 NFGXKRWWYIVYAR-UHFFFAOYSA-N 447.922 5.290 30 10 IKEE CCCCCCCCN1C(=O)C(NC2CCCCCCC2)=C(c2cccc(OC)c2)C1=O 1873047793 MYUKTFUOCUGKJF-UHFFFAOYSA-N 440.628 5.838 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCCCC)=C(c2ccc(C)c(C)c2)C1=O 1873141456 ZMKMQZOJBSRIOE-UHFFFAOYSA-N 440.672 6.694 30 10 IKEE COC(=O)c1nc(-c2ccc(C)cc2)oc1N/N=C/c1cccc(OCc2ccccc2)c1 1873462194 SHFHZZIIZZBDPN-JVWAILMASA-N 441.487 5.462 30 10 IKEE N#Cc1nc([C@@H]2C[C@H]2c2ccccc2)oc1N/N=C/c1ccc(OCc2ccccc2)cc1 1873470529 KEOARFBJLHBNLJ-CUQFQFCUSA-N 434.499 5.842 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2cccc3[nH]ccc23)c(C)c1 1873505136 BZOUHJQTDVEQGG-LGJNPRDNSA-N 446.580 5.113 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(F)cc1)n2C 1873629180 PNRPZFUEBPPNMD-UHFFFAOYSA-N 425.552 5.912 30 10 IKEE C=CCn1c(C(=O)Nc2ccccc2C(C)C)cc2c(N3C[C@@H](C)C[C@H](C)C3)ncnc21 1873666595 QOVKOEYMXLWRNE-OALUTQOASA-N 431.584 5.475 30 10 IKEE CCSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1cccc(OC)c1 1874197117 SSHUPHCGLDEDMA-NLRVBDNBSA-N 446.576 5.446 30 10 IKEE CCOc1ccc(/C=N/n2c(COc3cc(C)c(Cl)c(C)c3)nnc2SCC)cc1 1874217205 AEQHEXAWMXNYLI-ZMOGYAJESA-N 444.988 5.520 30 10 IKEE CSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1c(F)cccc1Cl 1874229487 NJZFOBKVIRFJOF-LSFURLLWSA-N 425.316 5.216 30 10 IKEE CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccc(C(F)(F)F)cc1 1874242687 SVWYRTNHKCAEHJ-LGJNPRDNSA-N 434.531 5.660 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccccc3Cl)n2/N=C/c2ccc[nH]2)c1 1874266424 XEPYYNUOGBFCLZ-DHRITJCHSA-N 437.956 5.322 30 10 IKEE Cc1ccc(/C=N/n2c(CCc3ccccc3C)nnc2SCc2ccccc2C)cc1 1874361357 PSWIRRWDNUPDQL-MTDXEUNCSA-N 440.616 6.163 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1cccc(F)c1 1874361559 VNPWILQWFKUGRH-LQKURTRISA-N 448.542 5.824 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1ccc(N(CC)CC)cc1 1874379701 HJUIXXBWJYKBMR-WGOQTCKBSA-N 437.588 5.405 30 10 IKEE Fc1ccc(/C=N/n2c(COc3ccccc3)nnc2SCc2ccccc2F)cc1 1874384161 BIJYLHWMMZZALQ-VULFUBBASA-N 436.487 5.310 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccc(F)cc2)cc1 1874387337 HXWIOGNAQORKKG-JFLMPSFJSA-N 434.515 5.630 30 10 IKEE COc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccc(C)cc2)cc1 1874396845 SHKJTMQMNOIWNN-OVVQPSECSA-N 442.588 5.555 30 10 IKEE Clc1cccc(CSc2nnc(CCc3ccccc3)n2/N=C/c2ccncc2)c1 1874404019 DXOBJGOAMKPVQN-WGOQTCKBSA-N 433.968 5.286 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CC(C)(C)C)nnc1SCc1ccccc1C 1874437189 OLHRPJHVDHVLHI-YZSQISJMSA-N 434.609 5.914 30 10 IKEE CCCN(CCC)C(=O)CSc1nnc(C2CCCC2)n1/N=C/c1cccc(Cl)c1 1874457634 YXVJMALFTZASET-BUVRLJJBSA-N 448.036 5.212 30 10 IKEE FC(F)(F)c1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc(Cl)cc1 1874461284 GSADSVREIUJUCQ-NUGSKGIGSA-N 431.270 5.778 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2C(C)(C)C)cc1 1874483699 IHHKYOKVGCTWJS-YZSQISJMSA-N 436.625 6.237 30 10 IKEE C=CCSc1nnc(COC)n1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1874502708 VQXWMSYKUNOUGD-WGOQTCKBSA-N 444.560 5.317 30 10 IKEE CCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1/N=C/c1ccc(C(C)(C)C)cc1 1874522456 UTKXOFKWKZNFQI-CVKSISIWSA-N 449.624 5.368 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 1874620253 QAOVSEAFYGMHGV-YRNVUSSQSA-N 427.327 6.786 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OCC(=O)Nc1cccc(C)c1C 1874625807 WQWMONYEOFXFDU-NTUHNPAUSA-N 433.479 5.365 30 10 IKEE CCCCCCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(F)c1 1874681707 FMWBCHPYJAIZJF-XMMPIXPASA-N 437.559 5.724 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)ccc2OC)c1 1874693230 ULRBUTLVEUFULG-ZRDIBKRKSA-N 447.443 5.117 30 10 IKEE COc1cccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc4c(c3)CCCC4)ccc2OC)c1 1874693614 NXNFNEDMJNBTRI-GXDHUFHOSA-N 442.511 5.698 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1OC(=O)Cc1cccs1 1874717622 GECITLWOTQAZJX-XBXARRHUSA-N 447.339 6.108 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](C(C)(C)C)CSc2nnc(Cc3ccccc3)n21 1874954238 IPCFODUHUYLRAE-HXUWFJFHSA-N 428.646 5.605 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3Cl)cc2Cl)c1 1875113760 WTIUZNGPFTUEBL-VQHVLOKHSA-N 425.311 6.726 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)CSc2ccccc2)c([N+](=O)[O-])c1 1875119116 FEKZEAYPDWGJCP-ACCUITESSA-N 449.484 5.197 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3OC)cc2OC)cc1 1875119585 BPCNLFBANDDKFM-OQLLNIDSSA-N 432.472 5.218 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 1875123225 XUTWGUJWIKYQEJ-RIYZIHGNSA-N 448.946 6.761 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 1875126356 CZDPNJJEZOWCLJ-OQLLNIDSSA-N 443.927 6.800 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Br)c1OC(=O)C1CC1 1875126371 DUKOXHPPOOCLGM-XNWCZRBMSA-N 435.701 5.323 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)COc1ccc(C)cc1C 1875179262 WPUJVSOAHGIBEO-DHZHZOJOSA-N 444.527 5.809 30 10 IKEE C=CCn1c(C(=O)N(CCCC)CCCCCC)cc2c(NCc3ccncc3)ncnc21 1875230037 MAFWZHDXWRROGA-UHFFFAOYSA-N 448.615 5.447 30 10 IKEE Cc1c(N=[N+]=[N-])c(C)c(C(=O)O)c(C)c1NC(=O)OCC1c2ccccc2-c2ccccc21 1887514497 IGDNPURPPFCTEU-UHFFFAOYSA-N 442.475 6.613 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 1922061244 XRIQLKIEJVXDRV-GMKZXUHWSA-N 430.633 5.459 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1ccc(Br)cc1C(F)(F)F 1922114328 XNFSDQVZPCGRTP-IBGZPJMESA-N 428.292 5.892 30 10 IKEE CCCCCCC[C@H](C)NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 2025362626 FABHHRPMSUGHFB-IBGZPJMESA-N 443.673 5.523 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)CC12CCC2 2063292256 NNGODUOLGJOZLN-VWLOTQADSA-N 447.620 5.772 30 10 IKEE COc1ccc([C@@H](C(C)C)n2nc(C(C)(C)C)c(C=NO)c2Br)c(F)c1 2080075423 QCSQUMPFOOIVGC-MRXNPFEDSA-N 426.330 5.144 30 10 IKEE Fc1cc(C(F)(F)F)ccc1-c1c(C(F)(F)F)nn([C@@H]2CCOC2)c1Br 2080745578 QVTZOHQUBBBEET-MRVPVSSYSA-N 447.148 5.451 30 10 IKEE C=CCC[C@@H](C)[C@@H](NCCC)c1ccc(I)c(Br)c1 2102109700 AUJZSCIFMYDVQX-MLGOLLRUSA-N 436.175 5.697 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1ncoc1C(F)F 2111565406 IHTISNDYIKWMDV-GFCCVEGCSA-N 428.233 5.381 30 10 IKEE C=CCCCCCC[C@H](NC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2141922551 PZTYNSJNSXQDQZ-SFHVURJKSA-N 425.411 6.583 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](Nc2cccc(Br)c2C#N)CC12CCCCC2 2162308941 IOJDUAWGHXOUHI-OAHLLOKOSA-N 434.378 5.445 30 10 IKEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNc2ccc(Br)cc2C#N)cc1 2162316043 DSAWYRHKRCEZNJ-CQSZACIVSA-N 430.346 5.519 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCc2ccc(F)cc21 2163697176 OBRJDIDXVQVBOY-NRFANRHFSA-N 431.305 5.695 30 10 IKEE Brc1sc(C[C@@H]2CCC[C@H]3O[C@H]23)c(Br)c1Br 2212264683 CITCWAGKZGISBF-BAJZRUMYSA-N 430.987 5.146 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)CCCC12CC2 2214442386 CLRREAZYJRBRCH-GJZUVCINSA-N 428.617 5.355 30 10 IKEE C=CCCCCCCC[C@@H](N)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2214620700 ZKZQRYUCXBIARK-BVAGGSTKSA-N 429.649 5.400 30 10 IKEE N[C@@H](C#Cc1ccccc1Br)c1csc(Br)c1Br 2220261101 WUBFTEOJQPTXPY-NSHDSACASA-N 449.993 5.087 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@@]1(CNC(=O)OC(C)(C)C)C[C@H]2CC[C@H]1C2)NCC 2223784112 NHXIIXNUVXNLPD-QRXMYIDTSA-N 442.644 5.459 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2sc(C)c(C)c2Br)cc1 2229242510 WISNJONFPZOVTH-MRXNPFEDSA-N 435.387 6.442 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Br)ccc1[C@H](O)C#Cc1cccc(Cl)c1 2231024759 JNHBYILNSONKSA-GOSISDBHSA-N 436.733 5.535 30 10 IKEE Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 2231043583 APKYCHBDAINOGS-UHFFFAOYSA-N 444.381 5.040 30 10 IKEE C=CCCCCCC[C@@H](N)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237418407 LPGWQPWSFDAHET-WOJBJXKFSA-N 439.438 5.739 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)CC(C)C)cc1Cl 2255545731 UWUAHYBMPLPRNM-UHFFFAOYSA-N 441.808 5.246 30 10 IKEE C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2255685206 XFMSOBHOYGUXCW-QGZVFWFLSA-N 439.792 5.080 30 10 IKEE C=CC[C@@H](C)[C@H](OCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2275715867 CWTPYJOMYLUESC-PIKZIKFNSA-N 446.543 6.199 30 10 IKEE N[C@H](C#Cc1cccc(Br)c1)c1cc(Br)ccc1Br 2278792747 DQKSWBHTEOFTPG-OAHLLOKOSA-N 443.964 5.026 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Cl)cc([C@@H](O)C#Cc2ccc(Br)cc2)c1 2278794064 RRHCIUSKJJCKRM-SFHVURJKSA-N 436.733 5.535 30 10 IKEE Cc1ccc2nc(N3C(=O)C(=O)C(=C(O)c4cccs4)[C@H]3c3ccccc3)sc2c1 2296124862 YLYSEOKMGHQHQR-LJQANCHMSA-N 432.526 5.293 30 10 IKEE C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)C(=Cc3ccc(OC(F)F)cc3)C[C@H]12 2297736520 PXDOMWMSMCFAEF-VGIZIMSBSA-N 444.562 6.254 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2304229314 UKHGUNCYSLQMNJ-MOPGFXCFSA-N 433.593 5.238 30 10 IKEE CCN1C(=O)C(=C(C)c2cccc(OC)c2)SC1=Nc1nc(-c2ccccc2)cs1 2314544037 RRSSBKOYNRTPMJ-UHFFFAOYSA-N 435.574 5.833 30 10 IKEE Cc1csc(N=C2SC(=CC(Cl)=Cc3ccccc3)C(=O)N2c2ccccc2)n1 2314544312 YNGIRZZDUYZHRU-UHFFFAOYSA-N 437.977 6.383 30 10 IKEE COc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2cccc(C)c2)cc1O 2318573907 AGQOCHNUQCNGEJ-UHFFFAOYSA-N 444.560 5.066 30 10 IKEE Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)C=Cc3ccc(C(C)C)cc3)cc(C)c2c1 2320450701 GJWIGPOVPSFKHO-UHFFFAOYSA-N 449.558 5.993 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc(OCc3c(F)cccc3Cl)c2C)C1=O 2321802410 QCRLQLZUIXKWFB-UHFFFAOYSA-N 438.882 6.381 30 10 IKEE Cc1ccsc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(Cc1ccccc1Cl)C3 2321958543 LQMWUBBJVLNNDC-UHFFFAOYSA-N 437.948 5.987 30 10 IKEE CC(C)OCCN1COc2ccc3c(c2C1)OC(=Cc1ccc(Cl)c(Cl)c1)C3=O 2322006958 VESMEFCEIVNWOL-UHFFFAOYSA-N 434.319 5.187 30 10 IKEE Cc1ccc(C)c(CN2COc3cc(C)c4c(c3C2)OC(=Cc2ccc(F)cc2)C4=O)c1 2322170896 GIUCOKBJIAUBQP-UHFFFAOYSA-N 429.491 5.719 30 10 IKEE COc1ccc([C@H](C)N2COc3c(cc4c(c3C)OC(=Cc3cccc(C)c3)C4=O)C2)cc1 2322437686 CODDSITUHSGOGJ-IBGZPJMESA-N 441.527 5.841 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccccc2)c1OCC(=O)Nc1ccc(F)cc1 2322545780 QISSFCVPQCJOOC-UHFFFAOYSA-N 439.870 5.401 30 10 IKEE COC(=O)c1ccc(COc2ccc(Cl)cc2C=CC(=O)c2ccc(F)c(C)c2)o1 2322634667 FZDYDDDQZJNRHS-UHFFFAOYSA-N 428.843 5.642 30 10 IKEE C=CCOc1c(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc(Br)cc1OC 2322961454 YXMPRRYQIHWVOS-UHFFFAOYSA-N 443.381 6.525 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3ccc(C)cc3C)c2)cc1C 2323078911 XHXJLZOCXAQLCD-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1OCc1ccc(Cl)cc1 2323187034 XAMWESICRZSCNP-UHFFFAOYSA-N 434.963 7.121 30 10 IKEE CCOC(=O)c1ccc(COc2cccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)c2)o1 2323193865 JHRLASFNONNZDH-UHFFFAOYSA-N 432.516 6.229 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c([N+](=O)[O-])c2)cc1 2323471572 YJEXQJZUIZJENT-UHFFFAOYSA-N 432.432 5.541 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2F)c(Cl)c1)c1ccc(Cl)c(Cl)c1 2323882462 YSUUBSUFYZVXKI-UHFFFAOYSA-N 435.709 7.261 30 10 IKEE CCCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2F)C3=O)c1 2323917445 GGHZVHXZPONEOE-UHFFFAOYSA-N 446.430 5.367 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OCC(=O)Nc1ccccc1F 2323959705 KRZKKPXMQBKJEY-UHFFFAOYSA-N 447.506 5.755 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc4c(c3)OCO4)cc2Cl)cc1 2324087128 FJSAMVLQCJUMHG-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(OC)c1OCc1ccccc1F 2324172547 KSTHVDPMORAPLV-UHFFFAOYSA-N 444.546 7.161 30 10 IKEE C=C(C)COc1c(OC)cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1OC 2324281453 VXPISPLZFOONGC-UHFFFAOYSA-N 430.500 6.347 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3C)c(Cl)c2)cc1C 2324447206 LKAKGBFVRAPQKQ-UHFFFAOYSA-N 433.935 6.179 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1ccc2c(c1C)OC(=CC=Cc1ccccc1)C2=O 2325093175 KLKPXQQGCPOAAJ-QHCPKHFHSA-N 448.559 6.448 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)cc1 2325705841 KGBNDAUTMANOCO-UHFFFAOYSA-N 446.415 5.181 30 10 IKEE CCCC(=O)Oc1cc(C=CC(=O)c2ccc(OCC)cc2)c(Br)cc1OC 2325734467 HGTOOGSPHFSQFD-UHFFFAOYSA-N 447.325 5.458 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 2325743657 VMRRJANLDZMWII-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cccc4ccccc34)c2)cc1F 2325748654 RPRQIXXNHIVHCU-UHFFFAOYSA-N 426.443 6.103 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC(=O)CC(C)(C)C 2325753871 SVGOCXGXHJZZJH-UHFFFAOYSA-N 438.564 6.373 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3ccc(Cl)c(C)c3)c2)cc1C 2325760446 ZUGVXJDCPCIUSZ-UHFFFAOYSA-N 434.919 6.146 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1OC(=O)c1ccccn1 2325772479 BXCAKYCNBFQXST-UHFFFAOYSA-N 428.271 5.512 30 10 IKEE CCSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1c[nH]c2ccccc12 2326315504 LZMXRVJSPVHZHD-UHFFFAOYSA-N 433.581 5.328 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1cccc(OCCC)c1 2326417796 HALWCJYHKZZKNV-UHFFFAOYSA-N 436.625 6.201 30 10 IKEE CCCSc1nnc(COc2ccc(OCC)cc2)n1N=Cc1cccc(Cl)c1 2326691252 NHJJNEGOZRLSAU-UHFFFAOYSA-N 430.961 5.294 30 10 IKEE CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccc(Cl)c(Cl)c1 2326867950 COJGESWANZSZPS-UHFFFAOYSA-N 435.424 5.948 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccccc3)n2N=Cc2ccc(O)cc2)CC1 2328163107 LFVIBYKHSCBFHR-UHFFFAOYSA-N 448.636 6.622 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2)n1N=Cc1ccc(Cl)cc1Cl 2328754166 MLMOOYIMXGJNCA-UHFFFAOYSA-N 447.391 5.757 30 10 IKEE CCCCOc1ccc(C=Nn2c(Cc3ccc(Cl)cc3)nnc2SCC)cc1 2329091293 XCDWQNVILQPLKU-UHFFFAOYSA-N 428.989 5.695 30 10 IKEE CCCSc1nnc(Cc2ccc(OC)cc2)n1N=Cc1ccc(C(F)(F)F)cc1 2329284245 WORODTNCPLVZBH-UHFFFAOYSA-N 434.487 5.281 30 10 IKEE CCCSc1nnc(CCc2ccccc2C)n1N=Cc1ccc(C(F)(F)F)cc1 2329500264 SZQLWGPIAFOSBH-UHFFFAOYSA-N 432.515 5.775 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccccc2Cl)n1N=Cc1cccc(O)c1 2329539092 VGBUVPQFOVTFQR-UHFFFAOYSA-N 434.952 5.787 30 10 IKEE O=[N+]([O-])c1cccc(C=Nn2c(SCc3ccccc3)nnc2-c2ccccc2Cl)c1 2329572966 GANPCMDTIIRCDX-UHFFFAOYSA-N 449.923 5.681 30 10 IKEE C=CCSc1nnc(CCc2cccs2)n1N=Cc1c(OC)ccc2ccccc12 2329673868 HHOKEZWGSAGMRI-UHFFFAOYSA-N 434.590 5.447 30 10 IKEE Clc1ccccc1CSc1nnc(Cc2cccs2)n1N=Cc1ccccn1 2330396077 GHRHSBQUANGXRW-UHFFFAOYSA-N 425.970 5.153 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3ccc(C)cc3)nnc2-c2ccccc2)c1 2330625338 CZXVVPKIICSXAN-UHFFFAOYSA-N 428.561 5.827 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2cccs2)c(C)c1 2330705183 SPVQRNXFQNDGLX-UHFFFAOYSA-N 447.589 5.236 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(OC)c2)cc(OC)c1OC(=O)CC1CCCCC1 2330796887 MVMPTXWQPJATIS-UHFFFAOYSA-N 448.559 6.204 30 10 IKEE Cc1ccccc1CSc1nnc([C@@H]2CCCO2)n1N=Cc1cn(C)c2ccccc12 2330894566 DZHZTDMYONKWEI-QFIPXVFZSA-N 431.565 5.104 30 10 IKEE Cc1ccccc1CSc1nnc([C@@H]2CCCO2)n1N=Cc1ccc(Cl)cc1Cl 2330894638 SKNWAVXTHOXUJN-IBGZPJMESA-N 447.391 5.919 30 10 IKEE Oc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2[C@@H]2CCCO2)cc1 2330980131 URURJVOPOIEZJT-QFIPXVFZSA-N 430.533 5.163 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Br)c2)cc(Cl)c1OC(=O)C1CC1 2330993407 HQFNUKLMDSJMIA-UHFFFAOYSA-N 435.701 5.323 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)COc2c(C)ccc(C)c2C)cc1 2331051386 IIIBLWLYKICUJR-UHFFFAOYSA-N 430.500 5.501 30 10 IKEE CCc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CCCC2)cc1 2331076152 FOSDJFQQYLRITR-UHFFFAOYSA-N 425.001 6.326 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1 2331084532 XBXMETFVTSHLJL-UHFFFAOYSA-N 436.454 5.934 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1Cl 2331122804 MFTMGXUKVMFPLI-UHFFFAOYSA-N 429.274 6.177 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)c(Cl)c1)c1ccc(Cl)cc1 2331142876 JEXCPKKIIGXTGZ-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(Cl)cc2Cl)c(Cl)c1)c1ccccc1 2331166205 XKFUIUJCMVYKSM-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2[N+](=O)[O-])cc1C 2331170246 UBGHZQBXOQLEPM-UHFFFAOYSA-N 431.444 5.092 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)CCCOc1cccc(C)c1 2331180260 OIIMQCAZQSLCQQ-UHFFFAOYSA-N 444.527 6.054 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)c1[nH]c2ccc(C)cc2c1C 2331293650 LSRDLECAKRXQMC-UHFFFAOYSA-N 439.511 6.217 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1N=Cc1cccc(C)c1 2331351892 KFLDVBGILVYPQA-UHFFFAOYSA-N 435.597 5.159 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(SCc2ccccc2F)nnc1C(C)(C)C 2331397116 JOMPWNPNTGWYAU-UHFFFAOYSA-N 426.561 5.676 30 10 IKEE COc1ccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2C(C)(C)C)c(OC)c1 2331397508 KGTIAWQNPVFYRI-UHFFFAOYSA-N 438.597 5.384 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3)c(Cl)c2)cc1F 2331455841 RYRDLQYLMLMBKF-UHFFFAOYSA-N 438.882 5.922 30 10 IKEE CC(C)Cc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc([N+](=O)[O-])cc1 2331464121 ZRBOWOIAFHNHCQ-UHFFFAOYSA-N 445.548 5.713 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(F)c2)cc(OC)c1OC(=O)c1ccncc1 2331464347 CWAVJXKFQXPBIO-UHFFFAOYSA-N 447.462 5.082 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc([N+](=O)[O-])c1OC(=O)C(C)(C)C 2331500445 JDJSGNBJCRKDON-UHFFFAOYSA-N 439.508 5.965 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)c1ccccc1Cl 2331510525 SQULDUJCQRJLOK-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)c1cccc(C)c1 2331673127 BORQFXMUSMXAAL-UHFFFAOYSA-N 430.500 5.744 30 10 IKEE CCc1ccc(C=Nn2c(SCC(=O)Nc3ccc(C)cc3C)nnc2C(C)C)cc1 2331712736 CMDTYNXZUCBWTO-UHFFFAOYSA-N 435.597 5.194 30 10 IKEE CCCC(=O)Oc1c(OC)cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc1OC 2331741569 CTJJWOZKKDTWIT-UHFFFAOYSA-N 432.900 5.276 30 10 IKEE N#Cc1ccc(NCc2ccc(Cl)cc2I)c(Br)c1 2341054207 DAFLZGVPOMZNLQ-UHFFFAOYSA-N 447.501 5.191 30 10 IKEE Cc1cc(Br)c(Oc2ccc(C#N)cc2Cl)cc1NC(=O)OC(C)(C)C 2344224839 XGCJRFKTIBKZCR-UHFFFAOYSA-N 437.721 6.422 30 10 IKEE CN[C@H](C#CC1(OC)CCCC1)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2363516607 GNPAACDZPYYVEL-GOSISDBHSA-N 437.378 5.019 30 10 IKEE CCCCCCCCCC[C@@H](NC)c1sc(Cl)cc1I 2363912708 ILYDLLFZOZINQD-CQSZACIVSA-N 427.823 6.797 30 10 IKEE C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 5382901 MQYXUWHLBZFQQO-ZHWHNTLZSA-N 426.729 8.025 30 10 IKEE in-vitro O=C1/C(=C/c2ccc(Br)o2)S/C(=N\c2ccccc2)N1c1ccccc1 15015881 RPATUCQHNBLEPW-PJICLEDRSA-N 425.307 5.851 30 10 IKEE Cc1ccc(C)c(C(=O)C[C@H]2S/C(=N\c3ccccc3C)N(c3ccccc3C)C2=O)c1 15055263 KKCJTBOAUMLAEG-KQWPUEFFSA-N 442.584 6.329 30 10 IKEE N#Cc1cccc(CNc2c(Br)cc(Br)cc2Br)c1 20504474 TUFCKWFCAKHMKN-UHFFFAOYSA-N 444.952 5.458 30 10 IKEE COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)c1O 20882010 KNEJCWFDMKBFRX-CPJLOUKISA-N 430.479 5.519 30 10 IKEE COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1Cl 20882078 XYBDGAASWJXWPE-PPHZAIPVSA-N 444.962 6.637 30 10 IKEE CC1CCN(c2ccc(C(=O)Nc3ccc(C4(C#N)CCCC4)cc3)cc2[N+](=O)[O-])CC1 30830130 DPUHRNPDSPBYIL-UHFFFAOYSA-N 432.524 5.419 30 10 IKEE CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCC#N 33696240 LAYDEILTQJNQLO-ZDLGFXPLSA-N 448.928 5.186 30 10 IKEE C=CCn1c(SCC(=O)N[C@H](C)c2ccc(CC)cc2)nnc1-c1ccc(Cl)cc1 36627075 OSJKXENYXFIGRL-MRXNPFEDSA-N 441.000 5.316 30 10 IKEE C=CCOc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccc(C)cc2)cc1OC 64796041 IKMWEZWHAZNRKU-KRWDZBQOSA-N 449.528 5.469 30 10 IKEE O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1ccc(Cl)cc1Cl)c1c(O)n[nH]c1N2 98036614 OSLRUHKYCJWBAF-XXFAHNHDSA-N 432.332 5.442 30 10 IKEE CCCCCCCOc1ccc(NCc2ccc(OCCOc3ccccc3)cc2)cc1 100033731 CIKSHOVYIIWEKE-UHFFFAOYSA-N 433.592 7.106 30 10 IKEE CCCCCCCCCCC[C@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)O[C@H]1CCCCO1 100049214 DQBLJAKEKGPLCT-RSYZFUPGSA-N 438.693 7.721 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2 100347557 YVJKBHYLMIKQLY-XLNZFTOWSA-N 446.418 7.875 30 10 IKEE CCCCCCCC(=O)NN1C(=O)c2cc(Cl)ccc2N[C@H]1c1ccc(C(C)C)cc1 101314604 AZTWTXSPMHTUPB-XMMPIXPASA-N 442.003 6.422 30 10 IKEE CCCCCCCOc1ccc(C(=O)N(Cc2ccc(F)cc2)C[C@H]2CCCO2)cc1 101356537 UQWQOEKNDIYOJU-RUZDIDTESA-N 427.560 5.996 30 10 IKEE CCCCCCCCCn1c([C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)nc2ccccc21 102103814 CGTKLBXINAILRR-LADGPHEKSA-N 431.624 6.864 30 10 IKEE CCCCCCCCCCCCCCCCSCC/N=C/c1cccc([N+](=O)[O-])c1 102774736 LCDSNUKHZHWNBY-WNAAXNPUSA-N 434.690 8.228 30 10 IKEE C[C@H]1CCc2c(sc3nc(-c4ccc(Cl)cc4)n(Cc4cccc(C#N)c4)c(=O)c23)C1 169904832 XNIDMJNRHMKILO-HNNXBMFYSA-N 445.975 5.823 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/NS(=O)(=O)c2cccs2)cc1Cl 169907333 UXBNYGDGQBFWCT-CJLVFECKSA-N 443.034 5.843 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2cc(C)cc(C)c2)cc1 169922467 LYFNXNOKLPJVDX-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(OC)cc2)cc1 169923372 PTVANHOLWFVCJS-DEOSSOPVSA-N 427.500 5.349 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2ccccc2C)c1 169937023 WCMNEWNRHRZIDS-AREMUKBSSA-N 449.506 5.940 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2cccc(C)c2)c1 169965970 KHZNJICDQGKTAP-DEOSSOPVSA-N 438.483 5.268 30 10 IKEE Cc1cc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)c(C)c4)[C@@H]3c3ccco3)[nH]c2cc1C 170098882 UWXZWOQVABKTNS-NRFANRHFSA-N 445.450 5.003 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(O)cc2)c1 170132980 VZCTXZRVSLETRD-XMMPIXPASA-N 443.499 5.272 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1cccc(C)c1 170142282 HJXQKTQTFPIJBN-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccs2)ccc1Cl 170159046 WMTDNOLCLBZYPW-IBGZPJMESA-N 425.893 5.193 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccccc2)cc1 170224328 PAOZVUDSZMJRKT-AREMUKBSSA-N 433.507 6.185 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2)c1 170230357 IHCNUCSBJPWHJF-NRFANRHFSA-N 437.879 5.110 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(Cl)cc2)c1 170235112 XOEISNDVUHRTGK-QHCPKHFHSA-N 447.918 5.910 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1ccc(F)cc1 170240111 WLIYFMODUHIIMF-XMMPIXPASA-N 445.490 5.704 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(F)cc2)c1 170244200 WWUORVAFWRXWTG-FQEVSTJZSA-N 429.875 5.009 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccc2F)cc1 170249729 DPQGTLRPPUGUGB-DEOSSOPVSA-N 445.490 5.706 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2c[nH]c3ccccc23)cc1C 170256634 NNXXBUYEGQOLRI-XMMPIXPASA-N 444.531 5.314 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@@H]1c1cccc(O)c1 170263641 HKKMBDLJVBDISS-FQEVSTJZSA-N 443.927 5.131 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccco2)c1 170296940 MIQDQNHVFFIYBQ-HSZRJFAPSA-N 426.472 5.156 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2ccc(F)cc2F)o1 170305717 VECYWFQGXKIKOU-NRFANRHFSA-N 434.398 5.130 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2cccc(OC(C)C)c2)cc1C 170348567 IPXRPPCMWOMVIN-XMMPIXPASA-N 442.515 5.269 30 10 IKEE Clc1ccc(/C=C/C=Nc2ccc3oc(-c4ccccc4Cl)nc3c2)c(Cl)c1 252629728 UMMQOWRJBFAPFS-BGEXJYOBSA-N 427.718 7.871 30 10 IKEE C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C/c1cccc(Cl)c1Cl)C2=O 253560233 ANTLLZHQDMIOLB-OZFVYDOVSA-N 447.446 6.959 30 10 IKEE CCOc1cccc(C=Nc2ccc(Nc3ccccc3)cc2)c1OCc1ccc(F)cc1 254741074 GGJKYYKSCZQRBC-UHFFFAOYSA-N 440.518 7.298 30 10 IKEE CCC(C)(C)[C@H]1CCc2sc3ncnc(NN=C(C)c4cccc([N+](=O)[O-])c4)c3c2C1 254881161 GIMBHBUJZDYZDL-INIZCTEOSA-N 437.569 5.977 30 10 IKEE COc1ccc(CN(Cc2ccccc2)Cc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 309563082 AGBXHVBBDQOALZ-UHFFFAOYSA-N 443.396 5.197 30 10 IKEE c1ccc(C[C@H]2CS/C(=N/CCCN(Cc3ccccc3)Cc3ccccc3)N2)cc1 390732532 YKGDDZKLANTVRT-SANMLTNESA-N 429.633 5.383 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)ccc(F)c1Br 407262015 IVKBJKSCYSVCDU-RHSMWYFYSA-N 433.337 5.237 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(O)cc2)c1 526487875 GWBTYGYCKZXNRX-RUZDIDTESA-N 440.499 5.500 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(OC(C)C)cc2)cc1 526605324 VWYKZIAJDPPUQH-VWLOTQADSA-N 440.499 5.411 30 10 IKEE Cc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccc(OCC(C)C)c2)cc1 526608436 JCKSGAAPAGEUHG-AREMUKBSSA-N 438.527 5.959 30 10 IKEE CCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1ccccc1OCc1ccccc1 526803151 SQCQVKYKKKSSEO-YUMHPJSZSA-N 446.551 5.733 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1ccc(OC)c(O)c1Cl 526808613 LTWWDZNONUAWFE-CFRMEGHHSA-N 444.988 5.471 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1ccc(OC(C)(C)C)cc1 526808835 AHUCIMRDUQLLID-QQXSKIMKSA-N 436.625 6.199 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(NC(=O)N[C@@H](C)c3ccccc3)CC2)c1 586099683 UXHZQECSYQMYHK-FQEVSTJZSA-N 448.611 5.189 30 10 IKEE C=CCN(C(c1ccccc1)c1ccccc1)S(=O)(=O)c1cc(Cl)ccc1OC 586153203 KCHRXLCPMLOVHU-UHFFFAOYSA-N 427.953 5.315 30 10 IKEE CCc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2ccc(OCC(C)C)cc2)cc1 586242070 IQOQJLASXWCFGU-UHFFFAOYSA-N 448.588 5.551 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCC[C@@H](NC(=O)OC(C)(C)C)C1 724031485 XYJDQMPQLGLTAD-OSPHWJPCSA-N 445.560 5.166 30 10 IKEE C=C1CCC(C[C@H](N)[C@@H](Cc2ccc(Br)cc2)NC(=O)OC(C)(C)C)CC1 724598491 BPACRGXVRRTMEV-VQTJNVASSA-N 437.422 5.349 30 10 IKEE Cc1ccc(N=C2S[C@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC(=O)N2C)cc1C 725385037 LDBJXKVVLUWFMK-KRWDZBQOSA-N 436.364 5.200 30 10 IKEE CCCCCCCCCCCNC(=O)[C@H]1C[C@@H]1C(=O)NCCCCCCCCCCC 1082549341 LRVUMAAYXSBIAQ-DQEYMECFSA-N 436.725 6.917 30 10 IKEE COc1ccc(N=Cc2cc([N+](=O)[O-])ccc2Sc2cccc3cccnc23)c(OC)c1 1083964348 XOJSELLBTIOQOY-UHFFFAOYSA-N 445.500 6.062 30 10 IKEE Cc1ccc(N=C2S[C@H](C(=O)Nc3ccc(C)c(Cl)c3)CC(=O)N2C)cc1Cl 1083981464 SAVXSTUPKQEFBN-KRWDZBQOSA-N 436.364 5.200 30 10 IKEE C[C@H]1CC(=NOC(=O)Nc2ccccc2)c2ccc(OC(=O)Nc3ccccc3)cc2C1 1083994692 GNFJTCKIVPNQOR-QGZVFWFLSA-N 429.476 5.833 30 10 IKEE COC[C@@]1(OC)CC[C@@H]2[C@H]3CCC4=CC(=O)CCC4=C3[C@H](c3ccc(C=O)cc3)C[C@]21C 1084294702 JOYXONJOXSOMGB-OCINJLECSA-N 434.576 5.430 30 10 IKEE CC(C)(C)C(=O)/C(C#N)=N\N(Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 1088699590 IZQZAZWTFHQZIP-ULJHMMPZSA-N 433.295 5.403 30 10 IKEE Cc1cccc(C[C@H]2SC(=Nc3ccc(C(=O)O)cc3)N(Cc3ccccc3)C2=O)c1 1772728069 JNNQQPGYDICDBD-JOCHJYFZSA-N 430.529 5.068 30 10 IKEE N#Cc1ccccc1NC(=O)Oc1cccc2c(NC(=O)c3cc4ccccc4[nH]3)cccc12 1858781337 QZUQEMPPWHWRJP-UHFFFAOYSA-N 446.466 6.056 30 10 IKEE CCCCC1CCC(C(=O)NCc2ccc(OC(=O)Nc3ccccc3C#N)cc2)CC1 1858903103 HHNSQFXJGJQFFN-UHFFFAOYSA-N 433.552 5.782 30 10 IKEE N#Cc1cccc(C(=O)Oc2cccc3c(NC(=O)c4ccnc(Cl)c4)cccc23)c1 1858929681 WNROPGUUDDVWRO-UHFFFAOYSA-N 427.847 5.231 30 10 IKEE C=CCOC(=O)c1sc(NC(=O)c2ccc3nc(-c4cccc(C)c4)oc3c2)nc1C 1859737328 YHGSDXFCYKZUOC-UHFFFAOYSA-N 433.489 5.163 30 10 IKEE C=CCN(CC=C)C(=O)CCc1c(C)c2cc3c(-c4ccccc4)c(C)oc3cc2oc1=O 1860281881 SCZKXQZLKHOFJS-UHFFFAOYSA-N 441.527 5.956 30 10 IKEE CCc1cccc(C)c1NC(=O)C(=O)/C=C/c1ccc(OCc2ccccc2)c(OC)c1 1860728186 ATOWEHKGNPZWCL-FYWRMAATSA-N 429.516 5.366 30 10 IKEE CCCCCCCCNC(=O)[C@H]1CCCN1C(=O)CCCOc1ccc2ccccc2c1 1861700388 SGGUGQZASZQIAW-RUZDIDTESA-N 438.612 5.467 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)c1c(F)cccc1Cl 1861844129 FKNPFVPQIPLSAZ-LJQANCHMSA-N 445.044 5.588 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccccc1C 1862400958 QJDBVMHMYHFCKK-RUZDIDTESA-N 449.591 6.251 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc(F)c1 1862430066 BGSHYZVUHLVHMW-PGRDOPGGSA-N 443.946 6.416 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccccc1F 1862431039 YGQFDSYTAUUFOF-QRQCRPRQSA-N 435.882 5.819 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(C(C)(C)C)cc1 1862461935 QVCUHIHDMVPHPQ-OAQYLSRUSA-N 445.481 5.636 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 1862478654 NBVWTTUFUZFOFJ-HSZRJFAPSA-N 446.503 5.372 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 1862479680 NLBRUSHKKGJDBJ-CYSDGLOUSA-N 445.603 6.450 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cc(Cl)cc(Cl)c2)ccc1F 1862507854 APDJRMXYAGNJBP-FQEVSTJZSA-N 448.321 5.962 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1cccc(C)c1 1862533759 OIHCRGZSQBHQIV-DEOSSOPVSA-N 435.564 5.343 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc(OC)cc2)cc1 1862536223 UJISEKHFIVKFAG-CUHUQNRHSA-N 433.548 5.415 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862561979 VVFKCTBKYFRFQT-QHCPKHFHSA-N 434.580 5.725 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1cccc2ccccc12 1862620096 KQSYJRBPDDAEJX-AVRWGWEMSA-N 441.571 6.514 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 1862689259 LXXMPUBKRPYRJS-WAIKUNEKSA-N 447.918 5.688 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(O)cc1 1862712812 AHRMWTSFSHQCCM-DWXRJYCRSA-N 449.506 5.885 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C(C)(C)C)cc3)C(=O)N(c3ccccc3C#N)C2=O)cc1C 1862885181 LMSSADNTZSRJAI-UHFFFAOYSA-N 449.554 5.869 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(Cl)ccc2C)=C(c2ccc(F)cc2)C1=O 1863138153 SQOPMRUDAMKNNX-UHFFFAOYSA-N 442.962 6.340 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccc(Cl)cc2)=C(c2cccs2)C1=O 1863804756 GIXBURAHIUMNSY-UHFFFAOYSA-N 431.001 5.632 30 10 IKEE CC(C)c1nc(Nc2ccccc2C#N)cc(N2C[C@H](c3ccc(F)cc3)O[C@H](C)C2)n1 1868238594 TZJMZCDNDXYKHD-VGOFRKELSA-N 431.515 5.321 30 10 IKEE CCc1nc(Nc2cccc(C#N)c2)cc(N2CCC(c3nc4c(s3)CCCC4)CC2)n1 1868268537 OBWXSEJVMGMPMO-UHFFFAOYSA-N 444.608 5.374 30 10 IKEE CC(C)c1ccc(/C=C/C(=O)Nc2c(C#N)nnn2-c2cc(Cl)cc(Cl)c2)cc1 1870143595 SHQJAUNCZYGLGE-VMPITWQZSA-N 426.307 5.221 30 10 IKEE N#Cc1nnn(-c2cc(Cl)cc(Cl)c2)c1NC(=O)c1cc(Cl)ccc1Cl 1870153780 HBCJVRFPHQCTBM-UHFFFAOYSA-N 427.078 5.005 30 10 IKEE CCCCCCCOc1cn(CCc2ccccc2)c(CN2C[C@H](C)O[C@@H](C)C2)cc1=O 1870409023 ICXOMAVYOCJHNA-GOTSBHOMSA-N 440.628 5.049 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)OC)c(=O)cc1CNc1cccc(F)c1 1870875308 ROWOTRJWCMGZOD-UHFFFAOYSA-N 446.563 5.292 30 10 IKEE CCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(Cl)cc1C 1871250997 IFZPDFIMVJQGET-UHFFFAOYSA-N 435.955 5.673 30 10 IKEE CCCCCCCCCCn1cc(OCCCO)c(=O)cc1CNc1ccc(C)cc1C 1871265967 XUISERZVMCPWLH-UHFFFAOYSA-N 442.644 5.979 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCCCOc3cccc(C)c3)cc(C)c2C1=O 1871407152 YJJWMDNWOCSFEE-ONUIUJJFSA-N 444.527 6.166 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871407819 RWJJEWIUBHQBRM-DWLCAJGSSA-N 441.483 5.274 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OCCOc4cccc5ccccc45)c3C)C2=O)c1 1871415446 CEWKARFKIUOCIS-IMRQLAEWSA-N 436.507 6.531 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 1871801852 OMAQOBSMPAXIHE-JOCHJYFZSA-N 449.016 5.331 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(C(C)C)cc1)[C@@H](C)CC)S(=O)(=O)c1cccs1 1871852711 VHGWHYRADTUNPB-LAUBAEHRSA-N 434.627 5.102 30 10 IKEE C=C(C)CN([C@H](CC)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1ccc(F)cc1 1872221116 FOYISHVPMIXKES-JOCHJYFZSA-N 446.588 5.107 30 10 IKEE Cc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3cccc(Br)c3)cs2)c(C)c1 1872763520 OCMWOXYGERUWQE-KRWDZBQOSA-N 441.350 5.445 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccc(CC)cc3)n2)cc1 1872765057 GCMYUXMDCJEUHJ-DEOSSOPVSA-N 446.616 6.751 30 10 IKEE N#C[C@@H](C(=O)c1c(F)cccc1Cl)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872769942 DOXNSIUTIKXEMY-JTQLQIEISA-N 425.699 6.399 30 10 IKEE CCOc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2ccc(C(C)(C)C)cc2)cs1 1872772481 DZZFWMRGIYXHEI-IBGZPJMESA-N 434.561 5.762 30 10 IKEE CC(C)N1C[C@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)CC1=O 1872779760 QTTSLXKYAIESGF-WIYYLYMNSA-N 445.544 5.036 30 10 IKEE CCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(OCC)cc3OCC)cs2)cc1 1872783806 IGWYMHKSGNPTMR-FQEVSTJZSA-N 436.533 5.496 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@H](C#N)C(=O)c2ccc([N+](=O)[O-])cc2)n1 1872783953 MAOYIQAPDVMGEP-OAHLLOKOSA-N 427.869 5.179 30 10 IKEE N#C[C@H](C(=O)/C=C\c1ccc2c(c1)OCCO2)c1nc(-c2ccc(Cl)s2)cs1 1872789572 NHLUQQRQXWWODF-GIDQFRGBSA-N 428.922 5.186 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@@H]2CCCC[C@@H]2C)=C(c2cccs2)C1=O 1873156039 RINRLLLMEDBDIE-VQTJNVASSA-N 430.658 6.137 30 10 IKEE C=CCn1c(C(=O)Nc2ccccc2C(C)C)cc2c(N(CCCC)CCCC)ncnc21 1873662770 ZBKDCLLPIVXMDN-UHFFFAOYSA-N 447.627 6.400 30 10 IKEE CCCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1/N=C/c1cccs1 1874196277 BBQIFVNSIPUAOH-OEAKJJBVSA-N 444.626 5.609 30 10 IKEE CCOc1ccc(/C=N/n2c(CCc3cccc4ccccc34)nnc2SC)cc1OC 1874233475 LFXLANUYIGRKIR-YZSQISJMSA-N 446.576 5.228 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccccc3)n2/N=C/c2cccc(C)c2)CC1 1874288146 PPGDYCQDHUVLKE-TURZUDJPSA-N 446.664 7.225 30 10 IKEE C=CCSc1nnc(CCc2ccc(OC)cc2)n1/N=C/c1cccc(OCCC)c1 1874307005 AVXJVQBQDTYUQG-XIEYBQDHSA-N 436.581 5.021 30 10 IKEE Cc1ccc(/C=N/n2c(COc3cccc(C)c3C)nnc2SCc2ccccc2)cc1 1874323542 UXGNRYZTDXMKLU-JVWAILMASA-N 442.588 5.957 30 10 IKEE Fc1ccc(CSc2nnc(Cc3ccc(Cl)cc3)n2/N=C/c2cccs2)cc1 1874336896 LWRXWQMXGSBTAK-ZMOGYAJESA-N 442.972 5.897 30 10 IKEE COc1ccc(/C=N/n2c(Cc3ccc(C)cc3)nnc2SCc2cccc(C)c2)cc1 1874388244 CIGJHRWASVGQCL-WPWMEQJKSA-N 442.588 5.669 30 10 IKEE Cc1ccc(/C=N/n2c(Cc3ccc(C)cc3)nnc2SCc2ccccc2F)cc1 1874389457 PNLXKXAGHJIGIQ-JVWAILMASA-N 430.552 5.799 30 10 IKEE Fc1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2cccc(Cl)c2)cc1 1874420905 KMBIKJZGMMXANN-FSJBWODESA-N 428.945 5.974 30 10 IKEE O=[N+]([O-])c1ccccc1/C=N/n1c(SCc2cccc(F)c2)nnc1-c1ccccc1 1874426928 IOEPZZIGKOFNCN-ZVHZXABRSA-N 433.468 5.167 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C(F)(F)F)c(F)c1 1874462378 PYGOBGNSSIVKND-KTZMUZOWSA-N 432.805 5.403 30 10 IKEE CSc1nnc(-c2ccco2)n1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1874463285 AUDXOUKRYHCMGO-WGOQTCKBSA-N 440.528 5.874 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccccc3C)nnc2C(C)(C)C)cc1OC 1874483478 YBJIHURFVAHBIG-MFKUBSTISA-N 438.597 5.466 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(COC)nnc2SCc2cccc(Cl)c2)cc1 1874502842 CUSBAOXRSIHHBQ-ZVHZXABRSA-N 444.004 5.099 30 10 IKEE COCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1c(Cl)cccc1Cl 1874506190 QZZWEIUNRYXRGB-LSFURLLWSA-N 441.771 5.559 30 10 IKEE CCCCOc1ccc(/C=N/n2c(C)nnc2SCc2cc(C)ccc2C)cc1OC 1874531312 CGACXBPVKDUDKJ-MFKUBSTISA-N 438.597 5.565 30 10 IKEE Sc1nnc(C2CCC2)n1/N=C/c1ccccc1OCc1ccc(Br)cc1 1874559383 OFAPXVVNUKPHLB-WSDLNYQXSA-N 443.370 5.058 30 10 IKEE COc1cccc(/C=C/C(=O)c2cccc(Br)c2)c1OCc1ccccc1C 1874575384 KIZOKFJOROHBFZ-BUHFOSPRSA-N 437.333 6.241 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCc3ccccc3F)ccc3ccccc23)cc1F 1874582668 ZZEHRAWIKAVJJC-OUKQBFOZSA-N 430.450 6.602 30 10 IKEE O=C(COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(F)c(F)c1)Nc1ccccc1 1874584881 GDJJQJHFUBCDEU-WYMLVPIESA-N 443.449 6.032 30 10 IKEE COc1cc(C(=O)/C=C/c2ccccc2OCc2ccc(F)cc2)c(OC)cc1Cl 1874587600 VKXPVVXYSHYEQO-FMIVXFBMSA-N 426.871 5.971 30 10 IKEE CCc1ccccc1NC(=O)COc1cccc(/C=C/C(=O)c2cc(OC)ccc2OC)c1 1874596826 FLQBUTHSCSRZKP-WYMLVPIESA-N 445.515 5.180 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1ccc(F)cc1 1874622757 TYDLRLMRQMYKBY-LZYBPNLTSA-N 432.535 6.997 30 10 IKEE CCCOC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OCC 1874624151 OGQLVFRDMRXKSM-KPKJPENVSA-N 444.955 6.090 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1Cl 1874630995 FIBYXJHURHZAAF-KPKJPENVSA-N 426.871 5.971 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1cccc(/C=C/C(=O)c2ccc(F)cc2F)c1 1874699979 VXUJTJRPRGILNT-SDNWHVSQSA-N 436.454 5.934 30 10 IKEE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2cccc(/C=C/C(=O)c3ccc(Cl)cc3)c2)cc1 1874700840 PGPFOQQVOPGLTJ-LRCYMOHKSA-N 448.946 6.732 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(F)cc2F)c1)c1ccc(Cl)c(Cl)c1 1874702655 CHVAFWMEESKCAQ-RUDMXATFSA-N 433.237 6.387 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)CCCOc2ccc(C)cc2)cc1 1875117649 GEWKYBNEDBNDGO-QGOAFFKASA-N 430.500 5.664 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OC(=O)c1c(F)cccc1Cl 1875127834 ZSMATHOTAPVGLA-ZHACJKMWSA-N 445.273 6.256 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)C3CCCC3)c(Br)c2)cc1 1875130587 XGRCTCYOBWFBDM-NTUHNPAUSA-N 443.337 5.840 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(C(F)(F)F)cc1 1875136240 FPESLMRMBVCSNI-WLRTZDKTSA-N 440.417 6.138 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2[N+](=O)[O-])cc1 1875139536 NBRYFDBOUFDRIC-NTUHNPAUSA-N 445.471 5.726 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2cc(C)ccc2C)c(Cl)c1 1875143396 XHDIBRFNLDYTHX-CSKARUKUSA-N 448.946 6.318 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3OC)cc2OC)cc1 1875144221 KSSZHVNSHXUMBI-NTUHNPAUSA-N 446.499 5.526 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)c1ccccc1Cl 1875157917 VDYLYRCXNXVCSA-KPKJPENVSA-N 440.854 5.612 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)c1cccc(C)c1 1875163402 JRAYIIBFNRKDLQ-FMIVXFBMSA-N 448.465 6.126 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2ccc(OC(=O)c3sccc3C)cc2)cc1Cl 1875173369 KMBOBINFILMVGL-RMKNXTFCSA-N 442.920 5.842 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)CC3CCCCC3)c(Cl)c2)cc1C 1875187208 ULWVFBQPDWTMAZ-PKNBQFBNSA-N 440.967 6.737 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@]1(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 1912199172 PGELNNXOQWUAKG-IIBYNOLFSA-N 436.557 5.044 30 10 IKEE CC1(C)CC[C@@](C#N)(Nc2ccccc2Br)[C@@H](CNC(=O)OC(C)(C)C)C1 1927167195 SBPDMWFOKMQMEF-VFNWGFHPSA-N 436.394 5.474 30 10 IKEE C=C1CCC(C[C@H](C[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)NCC)CC1 1947476872 WXLMTQNLFPYPMK-RPWUZVMVSA-N 430.633 5.601 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)[C@@H]1C1CC1 2014664133 HNUKRRMOBOZUCD-YADARESESA-N 433.593 5.238 30 10 IKEE CCCCC#CC[C@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 2024369617 HUTVDEOMIQVZAE-DNQXCXABSA-N 430.633 5.439 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2032216049 FHQFWHWXJSBOLG-BXKMTCNYSA-N 447.551 5.544 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(Cc3ccccc3)[C@H](C)C2)cc1 2037530021 YYIILTZXDZMDJV-IBVKSMDESA-N 435.568 5.384 30 10 IKEE C=CCn1c2ccccc2n2nc(C)c(C(=O)C=Cc3ccc(-c4ccccc4F)o3)c12 2042448942 LYWRSNSSTWKIIR-UHFFFAOYSA-N 425.463 6.079 30 10 IKEE O=C(C=Cc1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(Cl)c([N+](=O)[O-])c1 2053512797 ACIAWZFLGKHZSD-UHFFFAOYSA-N 430.851 5.392 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@@H]2CC[C@@H]21 2057587100 UWHUGQKXHUDOGH-NNPDTBDGSA-N 441.572 5.418 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)cc1 2066218165 LSSBMCGRUXCKGJ-KOSHJBKYSA-N 445.560 5.022 30 10 IKEE CCc1nn([C@@H](c2cc(C)c(C)cc2C)C(C)(C)C)c(I)c1C#N 2079124001 FZEYBXWMMYERDZ-SFHVURJKSA-N 435.353 5.483 30 10 IKEE ON=Cc1c(C2CC2)nn([C@@H](c2ccc(C3CCC3)cc2)C2CCC2)c1Br 2079952503 JIHWHAWVRQRVAQ-OAQYLSRUSA-N 428.374 5.988 30 10 IKEE CC(C)c1ccc([C@@H](C(C)C)n2nc(C(F)(F)F)c(C=NO)c2Br)cc1 2079986495 OVKHJYVEVOISBL-OAHLLOKOSA-N 432.284 5.841 30 10 IKEE CC(C)c1ccc([C@H](n2nc(C(F)F)c(C=NO)c2Br)C(C)(C)C)cc1 2080007747 QKDOOQSHQXZIKM-INIZCTEOSA-N 428.321 6.150 30 10 IKEE CCOc1ccc(C(F)(F)F)cc1-c1cc(Cl)n2nc(C(F)(F)F)c(C#N)c2n1 2081415836 UPSPPFOSWGEVGT-UHFFFAOYSA-N 434.727 5.358 30 10 IKEE CCCCCC#CC[C@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2083429787 DJXKZFXEQRRMIH-VJTSUQJLSA-N 444.660 5.827 30 10 IKEE Cc1nc(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)c(C)s2)c(C#N)c(C)c1C 2084270591 AVWBVGBZHZYWLW-IBGZPJMESA-N 432.574 5.279 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@H](C#N)c1cc(O)ccc1Br 2088245295 FWTASCAJFDBURP-QGZVFWFLSA-N 437.721 5.814 30 10 IKEE C=CCC[C@@H](C)[C@@H](NC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2102110464 GMTVKXBJOOPIGI-ATZDWAIDSA-N 425.411 5.075 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(C)ccc(Br)c1F 2145545361 YGVXJFMINKMJBR-QFBILLFUSA-N 441.385 5.244 30 10 IKEE Brc1csc(CN=C2N[C@H](C3CCCCC3)CS2)c1Br 2150561318 GTPBLYWJECYNAV-NSHDSACASA-N 438.254 5.414 30 10 IKEE COC[C@@]1([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)CC=CCC1 2166536052 ZPCGMYBZXSNAHR-GHTZIAJQSA-N 435.362 5.456 30 10 IKEE CC(C)(C)OC(=O)NC1(c2cccc(Nc3ccc(C#N)cc3Br)c2)CC1 2169062562 YNUFUEDIDWLQSG-UHFFFAOYSA-N 428.330 5.578 30 10 IKEE CN(C(=O)OC(C)(C)C)[C@@H](CNc1cc(Br)cc(C#N)c1)c1ccccc1 2175021952 DTCIELZQYQWOPG-IBGZPJMESA-N 430.346 5.341 30 10 IKEE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@@H](CNc2cccc(Br)c2C#N)CC1 2178648531 SNZVGMKHVURQEC-LDTOLXSISA-N 440.357 5.156 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 2208966788 OPNCXKFAKRIARK-OSWQYVSFSA-N 443.588 5.351 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NC)c2sc(C)c(Br)c2C)C1 2219017529 NBPXGSZZPVDIIF-INIZCTEOSA-N 429.424 5.249 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1CC[C@@H](O)C#Cc1ccccc1Br 2235740174 NCTRUDYQEAMFDH-WSTZPKSXSA-N 436.390 5.025 30 10 IKEE C=CCCC1([C@H](O)c2c(Cl)cccc2Br)CN(C(=O)OC(C)(C)C)C1 2254931297 GFOYBGASQUIGKH-MRXNPFEDSA-N 430.770 5.339 30 10 IKEE C=C(C)C[C@H](OCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2261839779 GCTMXYAHOXBRIU-VWLOTQADSA-N 432.516 5.953 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)Nc1cccc(OCc2ccccc2)c1 2282142795 RLAWPEIZIXZXIH-UHFFFAOYSA-N 443.352 5.126 30 10 IKEE O=[N+]([O-])c1cc(Br)c(OCCCCCCCS)c(Br)c1 2294699824 WQURHITYKAZQPD-UHFFFAOYSA-N 427.158 5.379 30 10 IKEE CC(C)[C@@H](CCNC(=O)OC(C)(C)C)CC[C@@H](N)C#Cc1cccc(Br)c1 2296215880 FLFWSWHOCPYEJO-QUCCMNQESA-N 437.422 5.095 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@H]1CCCN(Cc2ccccc2)C1 2296309089 QJCWTEPAORSUAP-UPVQGACJSA-N 425.414 5.081 30 10 IKEE C=CCN1C(=O)C(=C2Sc3ccc(OC)cc3N2CC)SC1=Nc1ccccc1C 2297550060 MVMLFSSJLHMRNX-UHFFFAOYSA-N 437.590 5.554 30 10 IKEE Cc1ccc2nc(-c3ccc(N=Cc4cc(Cl)cc(Br)c4O)cc3)oc2c1 2297710532 QNISAFDGXDMWNB-UHFFFAOYSA-N 441.712 6.675 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccccc2OC(=O)c2ccc(C(C)(C)C)cc2)c1 2314429461 HUJZXPWSRODJEA-UHFFFAOYSA-N 444.527 6.117 30 10 IKEE CN1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=Nc1cccnc1Cl 2314540235 MFCUCRCXDDODQD-UHFFFAOYSA-N 440.868 5.137 30 10 IKEE O=C(O)c1ccc(C=C2SC(=Nc3ccncc3Cl)N(c3ccccc3)C2=O)cc1 2314541904 DNRDDHOQFXWWEI-UHFFFAOYSA-N 435.892 5.242 30 10 IKEE Cc1ccc(C)c(N=C2NC(=O)C(=Cc3ccccc3OCc3ccc(Cl)cc3)S2)c1 2314557399 BYLLMFBEZBWVLZ-UHFFFAOYSA-N 448.975 6.427 30 10 IKEE CC(C)[C@@H]1C[C@H](Nc2cc(Br)ccc2C#N)CN1C(=O)OCc1ccccc1 2321253447 QSUBRELURLHOEW-FPOVZHCZSA-N 442.357 5.168 30 10 IKEE COc1ccc(OC)c(C=C2Oc3cc(OCc4cc(C)ccc4C)cc(C)c3C2=O)c1 2321755927 XRGIFLGZYAMALL-UHFFFAOYSA-N 430.500 5.824 30 10 IKEE CCCSc1nnc(C(C)C)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2321828866 UOXLUPKDJBYLGF-UHFFFAOYSA-N 428.989 6.018 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(S)nnc1COc1c(C)ccc(C)c1C 2322161064 VPVRQYHGOWBVSI-UHFFFAOYSA-N 432.549 5.115 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(F)cc1)O3)CN(CCCc1ccccc1)CO2 2322214535 WJMQMGIMJLSSIX-UHFFFAOYSA-N 429.491 5.535 30 10 IKEE COc1ccc(CCN2COc3c(cc4c(c3C)OC(=Cc3cccc(F)c3)C4=O)C2)cc1 2322288874 PIAIFXASVRJZJJ-UHFFFAOYSA-N 445.490 5.154 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2c(OCc3cc(C)ccc3C)ccc3ccccc23)cc1 2322391588 ZIDGQOONYWVAKW-UHFFFAOYSA-N 448.606 8.274 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(Cl)cc2C=CC(=O)c2cc(C)ccc2C)c(C)c1 2322617374 MHWFBABXKGVWTQ-UHFFFAOYSA-N 447.962 6.487 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2C=CC(=O)c2cc(C)ccc2C)c1 2322617469 PFPVPMKZKHROKH-UHFFFAOYSA-N 447.962 6.487 30 10 IKEE Cc1c(OC(=O)c2cccc(Cl)c2)ccc2c1OC(=Cc1ccc(C(C)C)cc1)C2=O 2322914346 IUIDKFNBBWXJKK-UHFFFAOYSA-N 432.903 6.607 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3ccc(F)cc3)c2)cc1 2323157804 QGJXHRJOFARIRQ-UHFFFAOYSA-N 433.479 5.528 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OCc2cccc(Cl)c2)c1 2323230115 LANZFDZTHNPEDR-UHFFFAOYSA-N 434.963 7.121 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1)Nc1nccs1 2323345038 DIOYQTUHEGHGJL-UHFFFAOYSA-N 440.524 5.724 30 10 IKEE CCOc1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2C)C3=O)cc1 2323512151 GSJMMVPACHKHFF-UHFFFAOYSA-N 440.495 5.937 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)cc1 2323536193 VOXSWKLAIMVFQZ-UHFFFAOYSA-N 441.571 6.560 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Br)c2)ccc1OCCc1ccccc1 2323672020 QATOWAAECMTFMT-UHFFFAOYSA-N 437.333 5.975 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2F)cc(OC)c1OCc1ccccc1F 2323739906 ZUBHKQDIEAKUNM-UHFFFAOYSA-N 438.445 6.316 30 10 IKEE Cc1cc(OCCCc2ccccc2)cc2c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O2 2324281021 PKAGNDBCWWFKDI-UHFFFAOYSA-N 439.338 6.930 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCCCCOc4cccc(C)c4)ccc3C2=O)cc1 2324570260 MSCNWFFUIVMQOS-UHFFFAOYSA-N 428.528 6.412 30 10 IKEE CC[C@@H](C)Oc1ccc2c(c1)OC(=Cc1cc(Br)cc3c1OCOC3)C2=O 2324706467 MQFXSGPDLNXLBE-GFCCVEGCSA-N 431.282 5.109 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCC(=O)Nc4ccc5ccccc5c4)ccc3C2=O)c1 2324958954 CTSSNIWKXBOBTQ-UHFFFAOYSA-N 435.479 5.782 30 10 IKEE CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1C)OC(=Cc1c(F)cccc1Cl)C2=O 2325086368 MFXWDYJBJMUUDT-GOSISDBHSA-N 432.875 5.514 30 10 IKEE CC(=O)c1ccccc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccccc1C)C2=O 2325571756 CPWXMJBJACHVBR-UHFFFAOYSA-N 441.483 5.140 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(Cl)c(Cl)c1 2325604813 PJMQDCAGXCSPSM-UHFFFAOYSA-N 425.772 5.975 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCC(=O)Nc4cc(C)cc(C)c4)ccc3C2=O)cc1 2325721196 GNESCTPYOSBJCW-UHFFFAOYSA-N 443.499 5.336 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C=CC(=O)c3ccc(Cl)cc3)ccc2OC)cc1 2325729197 MFBCXFKNJDMWCE-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE CCCCC1CCC(C(=O)Oc2cc(C=CC(=O)c3ccc(F)cc3)ccc2OC)CC1 2325750946 BPYAUUBTMVDYON-UHFFFAOYSA-N 438.539 6.632 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2cccc(OC(=O)c3cccc4ccccc34)c2)c1C 2325756851 NYKQOGYTGMFVTE-UHFFFAOYSA-N 434.535 7.189 30 10 IKEE CCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccccc1[N+](=O)[O-] 2326931011 MHJXNGBEBGYPLC-UHFFFAOYSA-N 439.585 5.330 30 10 IKEE Fc1ccccc1CSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc[nH]1 2328056699 IZEYUYDPDOERDW-UHFFFAOYSA-N 439.947 5.358 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccc(C)cc3)n2N=Cc2ccccc2)cc1 2328562377 UGWQJXBPNZGXMT-UHFFFAOYSA-N 442.588 5.751 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)cc2C)n1N=Cc1cccc(Cl)c1 2328897251 VNZSZZFVMHVKPV-UHFFFAOYSA-N 426.973 5.678 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCOc3ccccc3)n2N=Cc2ccc[nH]2)c1 2329192640 BGYOCQLMFRFIQL-UHFFFAOYSA-N 431.565 5.019 30 10 IKEE C=C(C)CSc1nnc(CCc2cccs2)n1N=Cc1ccc(Cl)cc1Cl 2329662370 HVCGRRSLWGOQKB-UHFFFAOYSA-N 437.421 5.982 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)cc3)n2N=Cc2sccc2C)cc1 2329936273 POFROSXODYQHLS-UHFFFAOYSA-N 432.618 6.030 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCCc2ccccc2)n1N=Cc1ccccc1O 2330110994 FYYYRNQAXQVILJ-LJQANCHMSA-N 428.561 5.353 30 10 IKEE Oc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCc2cccc(F)c2)cc1O 2330251641 YDWOISHZCMZMLO-UHFFFAOYSA-N 440.544 5.126 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCCc2ccccc2)nnc1-c1cccs1 2330586505 KLJLWPRSCGBCAF-UHFFFAOYSA-N 446.601 5.788 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(F)c3)c(Cl)c2)cc1OC 2330718442 DVMPDLXVAJHQRO-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(Cl)cc3)c(OC)c2)c1 2330799911 RKQKKPUXEWKZCG-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(C(=O)O)cc1 2330873276 ICWXRDFMTLTYDS-UHFFFAOYSA-N 442.972 5.393 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(C)c2)cc(OC)c1OC(=O)c1ccco1 2330878373 PGBPFLJVARPKQF-UHFFFAOYSA-N 432.472 5.449 30 10 IKEE Cc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2c(F)cccc2Cl)cc1 2330881394 MLSOPWHUSYRXMF-UHFFFAOYSA-N 430.980 6.142 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2-c2ccco2)cc1 2331208384 BSEOYDRPZURGJS-UHFFFAOYSA-N 446.576 6.118 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc4ccccc34)c(Cl)c2)c(C)c1 2331222526 OOINJRHYDIQDOB-UHFFFAOYSA-N 440.926 7.225 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)Oc1ccc(C=CC(=O)c2ccc(C)cc2)cc1 2331259161 SPXVJCMHWGGTKO-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1cccc(O)c1 2331472542 CTEHBBLPYHIBQR-UHFFFAOYSA-N 435.380 5.664 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c(C)c1C 2331612253 WPLHZXDJVYZZEY-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE C=C(C)[C@H]1CCC(C)=C[C@H]1C1=C(O)C(NCc2ccccc2)=C(CCCCC)C(=O)C1=O 2333299631 CGGGAXJIRQSRPH-FYYLOGMGSA-N 433.592 6.123 30 10 IKEE CCC[C@@H](CCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339598390 CALVCUXPCKVSHA-LLLGYDHXSA-N 446.397 5.189 30 10 IKEE CN[C@@H](C#Cc1nc(C)cs1)c1cc(Cl)c(NC(=O)OC(C)(C)C)c(Cl)c1 2363700443 ANSQNSVGWQFGMG-HNNXBMFYSA-N 426.369 5.418 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccc(C#N)cc2Br)[C@H]1C(F)(F)F 2370056135 BQTLJBLJYJIRQL-CABCVRRESA-N 448.283 5.063 30 10 IKEE CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=S)Nc1ccccc1 4179947 YVOJZXNZYHUZQJ-YDZHTSKRSA-N 427.574 5.034 30 10 IKEE CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2cccc(C#N)c2)[C@@H]1c1cccs1 9433198 YEBLZTWALSQZMT-GOTSBHOMSA-N 429.545 5.195 30 10 IKEE Cc1ccc(-c2cc3c(nn2)-c2ccccc2/C3=N\OCc2ccc(C(C)(C)C)cc2)cc1 12955206 HCNLFCHZAUIJTI-VEWQFJOQSA-N 433.555 6.699 30 10 IKEE C=CCn1c(CC)nnc1SCC(=O)Nc1ccc2nc(SCCCC)sc2c1 20425629 VLGIXGCVXKKCIR-UHFFFAOYSA-N 447.655 5.259 30 10 IKEE C=CCn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nnc1C(C)(C)C 20839088 RTNNXDXDOVMQJB-UHFFFAOYSA-N 432.899 5.165 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2c[nH]c3ccccc23)cc1 21220117 QLUNPKXIYZUSPC-ADXZGYQBSA-N 449.554 6.546 30 10 IKEE O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1cccc(Cl)c1Cl)Nc1ccccc1N2 21231130 UZBDQMWPRYHQGN-ZAMGYDSWSA-N 441.383 7.034 30 10 IKEE CCc1ccccc1N/C(=N\C(=O)c1ccccc1Cl)NCc1c(C)nn(CC)c1C 32972156 FIVCUIFKXLYTRX-UHFFFAOYSA-N 437.975 5.134 30 10 IKEE O=C1C(Cl)=CC(=NSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)C=C1Cl 33943378 XCKOSXXBEKASTR-UHFFFAOYSA-N 439.327 5.482 30 10 IKEE Cc1cccc(-c2cc(/C=C\c3ccccc3[N+](=O)[O-])c(C#N)c3nc4ccccc4n23)c1 35124683 YVAVTHYBUDYACU-YPKPFQOOSA-N 430.467 6.413 30 10 IKEE C=CCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2[C@@H]1c1ccc(OCCCCC)cc1 38592941 IJSFRDXXYFSCQO-DEOSSOPVSA-N 431.532 5.710 30 10 IKEE COc1ccc(/C=C2\S/C(=N/c3cccc(C)n3)N(c3ccccc3)C2=O)c(OC)c1 39863516 JTYQLTVCFRYLGV-SXVBQMOPSA-N 431.517 5.216 30 10 IKEE C=CCN1C(=O)c2[nH]nc(-c3cc(C)cc(C)c3O)c2[C@@H]1c1ccc(Cl)c(Cl)c1 39912072 LCAFAEZYCPFHGQ-FQEVSTJZSA-N 428.319 5.437 30 10 IKEE C=CCN1C(=O)c2[nH]nc(-c3cc(C)cc(C)c3O)c2[C@H]1c1ccc(OCCCCC)cc1 39912112 POAPFOJMGVFPQB-RUZDIDTESA-N 445.563 5.699 30 10 IKEE C=C(C)C(=O)N[C@H](C)c1nc2ccccc2n1CCCCOc1ccc(Cl)c(C)c1 40191215 YVQKMOQAMNGDGM-GOSISDBHSA-N 425.960 5.611 30 10 IKEE C=CCc1ccc(OCCCCn2c(COc3ccccc3)nc3ccccc32)c(OC)c1 40232298 IGIPVIHTBSRPRU-UHFFFAOYSA-N 442.559 6.212 30 10 IKEE COc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN([C@H](C)c2ccccc2)C3)C1=O 41586950 OOAWKHMISLMDBA-YNJLWJOVSA-N 427.500 5.533 30 10 IKEE CC[C@H](C)c1ccc(N/C(=N/C(=O)c2cc(OC)cc(OC)c2)NCc2ccncc2)cc1 45940309 YZGUTVVOQRALER-SFHVURJKSA-N 446.551 5.010 30 10 IKEE O=C1/C(=C\c2ccc(N3CCCCC3)o2)S/C(=N/c2ccccc2)N1c1ccccc1 59138057 BGJAFRNNYGUZSJ-DIPDZEALSA-N 429.545 6.079 30 10 IKEE N#Cc1c(NC(=O)CCSc2nc(-c3ccc(Cl)cc3)n[nH]2)sc2c1CCCC2 59795397 FTYQDZQQAYMWHQ-UHFFFAOYSA-N 443.985 5.058 30 10 IKEE C=CCn1c(C)nnc1SCc1ccccc1C(=O)NCc1cccc(C(F)(F)F)c1 96289592 AHAYCZFMGFWXAI-UHFFFAOYSA-N 446.498 5.014 30 10 IKEE CCc1ccc(/N=C2/S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2CC)cc1 97399644 IIVXHNFOHNOQFN-BLWNTKICSA-N 449.498 5.248 30 10 IKEE CCCCCCCCCCCCCCCCNCC(=O)Nc1ccccc1OC(C)C 100055816 GQPWZEYRVVYPHY-UHFFFAOYSA-N 432.693 7.483 30 10 IKEE CCCCCCCCCC(=O)Oc1ccc(C(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 100166416 NRTYLZACQRNWSO-GHRIWEEISA-N 447.402 7.936 30 10 IKEE CCCCCCCCCCCCOc1ccc(NC(=O)c2ccc(O)cc2)cc1Cl 101005747 WACRPMPNEAQEON-UHFFFAOYSA-N 432.004 7.598 30 10 IKEE Nc1ccccc1/N=C1\C=C(c2ccccc2)N(N(c2ccccc2)c2ccccc2)C1=O 103983067 KCWZGDITJUVXIB-URGPHPNLSA-N 430.511 5.978 30 10 IKEE CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(C)cc2)cc1 135623386 VADLUMYKKDSDJJ-NPJIAGGLSA-N 441.527 5.058 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Br)cc2C)c(C)c2cc(C(C)C)ccc21 169870317 OVLRCHOWLCJFGY-UHFFFAOYSA-N 425.370 6.582 30 10 IKEE CCCN1C(=S)N[C@@H](c2ccccc2Br)C(C(=O)c2ccccc2)=C1C 169928618 OCLHOZXSJMKYKJ-IBGZPJMESA-N 429.383 5.247 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2cc(C)ccc2C)=C(O)C(=O)N1c1cc(C)cc(C)c1 169941114 KHVLHSAMLSBFPO-RUZDIDTESA-N 441.527 5.712 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccccc2OC)cc1 169943798 MWFDJBSVRRIDTC-XMMPIXPASA-N 443.499 5.104 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1cccs1)c1ccc([N+](=O)[O-])cc1 169985790 IUJYQNUKKLIBFF-SFHVURJKSA-N 440.864 5.093 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]2c2cccs2)cc1 169986681 TUKBHZOTKCCAQF-HXUWFJFHSA-N 439.920 5.501 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2C2CCCCC2)c1 170039127 FCFMUVHBJGDFSH-XMMPIXPASA-N 449.547 5.313 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccc(F)cc2)cc1C 170063886 FRKUESGXOBWNER-JOCHJYFZSA-N 437.417 5.504 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)C)cc2)ccc1F 170067832 MTGRCRNELQKQNY-XMMPIXPASA-N 444.506 5.431 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2cccc(O)c2)c1 170081053 VBTPNANELJYYNZ-QFIPXVFZSA-N 433.891 5.445 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cn(C)c3ccccc23)cc1C 170084369 MNHOBOGHYYDWSN-DEOSSOPVSA-N 440.499 5.167 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2ccco2)cc1 170090911 JIOLOCOCRZPMMN-JOCHJYFZSA-N 445.471 5.089 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(O)cc2)ccc1Cl 170132650 PDSMZUZZCAGPPQ-QFIPXVFZSA-N 449.890 5.227 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2C2CCCC2)c1 170148685 PJVQLWWTOTWNBI-VWLOTQADSA-N 447.575 5.859 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2cccs2)c1 170158298 REZMVKDSIGTMIR-QHCPKHFHSA-N 447.556 5.937 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@H]1c1ccc(O)c(Cl)c1 170220087 FZKDSERGILCAEQ-OAQYLSRUSA-N 443.927 5.166 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccc(F)cc2)c1 170238861 NWDQAMNYPQIFHU-RUZDIDTESA-N 441.502 5.796 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccc(O)c2)ccc1Cl 170259404 CWCYMWBWFHGEJG-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCOC(C)C)cc1 170265102 VDKIPGUYUFSJLS-VWLOTQADSA-N 447.575 5.131 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)(C)C)c2)[C@@H]1c1ccc(CC)cc1 170267814 GWRKHDYAZVFJKP-DEOSSOPVSA-N 449.591 5.934 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(OCC(C)C)c2)=C(O)C(=O)N1C1CCCCC1 170275328 UUEUNSOBEQPXAS-VWLOTQADSA-N 447.575 5.941 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccco2)cc1C(C)C 170287529 NZPJAYDRARCJPD-XMMPIXPASA-N 445.515 5.811 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccccc2C)cc1Cl 170397167 VCBQYEDOVWABBG-HXUWFJFHSA-N 439.920 5.501 30 10 IKEE Cc1ccccc1N=C1S/C(=C/C=C\c2ccc([N+](=O)[O-])o2)C(=O)N1c1ccccc1C 252626888 RHQRPBLOUIICFI-ZCFNVVKZSA-N 445.500 6.169 30 10 IKEE COc1ccc(N=C2S/C(=C/c3c(C)[nH]c4ccccc34)C(=O)N2C2CCCCC2)cc1 252638324 YBGYWIGKLVPOKY-OFYGDPCRSA-N 445.588 6.422 30 10 IKEE COc1ccc(N=Cc2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1 254331515 ZYEATRUJSVVDHW-LJAQVGFWSA-N 431.539 6.802 30 10 IKEE CCn1c2ccccc2c2cc(C=Nn3c(COc4ccccc4)n[nH]c3=S)ccc21 254382572 FQKLSOJVGOPLTE-UHFFFAOYSA-N 427.533 5.530 30 10 IKEE Cc1ccc(/C=C2\SC(=S)N(N=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1 254761812 IVPFVTFQOUFMCQ-VZGQVLLGSA-N 449.513 5.399 30 10 IKEE C=C([C@H](NCCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br)C(F)(F)F 406950990 ZQOLGELQEAQOOY-HNNXBMFYSA-N 437.300 5.955 30 10 IKEE CC(C)Oc1cccc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)c1 526515565 JULCDJOKDXNGRY-DEOSSOPVSA-N 444.918 6.056 30 10 IKEE CCOc1cc(/C=N\n2c(CC)nnc2SCc2ccccc2F)cc(Cl)c1OC 526802246 AMKFSBQHZWKEFQ-MSXFZWOLSA-N 448.951 5.215 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1cc(Cl)c(O)c(Cl)c1 526809927 XZIFNBHIBUJIJB-MYKKPKGFSA-N 449.407 6.034 30 10 IKEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1ccccc1OCC(C)C 526813865 CAVVJCDOTFPARY-MYKKPKGFSA-N 449.407 6.103 30 10 IKEE CCCOc1ccc(/C=N\n2c(C)nnc2SCc2ccccc2Cl)cc1[N+](=O)[O-] 526815707 KUCNPXTYRAHYNC-UUYOSTAYSA-N 445.932 5.111 30 10 IKEE Cc1ccccc1/C=N\n1c(Cc2ccccc2)nnc1SCc1ccccc1Cl 526816890 KQXKLEXPTZNAAF-QQXSKIMKSA-N 432.980 6.005 30 10 IKEE CCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1c(OC)ccc2ccccc12 526823643 YRXWMMLBLJOIOB-YSMPRRRNSA-N 427.533 5.048 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)Cc2ccc(Cl)cc2C1 698488032 IEYHLLCKWGDDCG-OAQYLSRUSA-N 447.760 5.905 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@H](C#N)c1ccsc1Br 706989845 DTPZQFUHAFQZBO-CQSZACIVSA-N 427.751 6.170 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 710715744 HKFXQAJDFWNCQH-JPYJTQIMSA-N 449.979 5.763 30 10 IKEE Brc1ccc(-c2ccccc2Br)cc1C#CCCc1ccccc1 725433238 SGFJDXGZMUQNBZ-UHFFFAOYSA-N 440.178 6.863 30 10 IKEE C(=Nc1ccc(-c2ccccc2)cc1)c1ccc(C=Nc2ccc(-c3ccccc3)cc2)cc1 1084001117 XWASKHVPYTVNRO-UHFFFAOYSA-N 436.558 8.522 30 10 IKEE CC(=NNc1nc(SCCC(=O)Nc2c(Cl)cccc2Cl)n[nH]1)c1ccccc1 1084346871 ONXCWNDVLMEGPY-UHFFFAOYSA-N 449.367 5.069 30 10 IKEE CCc1cccc(C)c1-n1c(C)cc(/C=C2/SC(=Nc3cccc(C)c3C)NC2=O)c1C 1084442060 SURKVJOKZGNQOS-BUVRLJJBSA-N 443.616 6.473 30 10 IKEE Cc1cc(C)c(C(CSc2nc3ccccc3o2)=NNc2cccc([N+](=O)[O-])c2)cc1C 1084586683 MEPAANRJUFADPM-UHFFFAOYSA-N 446.532 6.270 30 10 IKEE Cc1ccc(COc2ccccc2/C=C2\SC(=Nc3cccnc3Cl)N(C)C2=O)cc1 1772739194 VLTHJFSQUWTXJP-PAMLCIOASA-N 449.963 5.856 30 10 IKEE Clc1ccccc1COc1ccc(C=NNc2nnc3c(n2)[nH]c2ccccc23)cc1 1772764681 ANQLDMQUNJUWRD-UHFFFAOYSA-N 428.883 5.185 30 10 IKEE Cn1c2ccccc2c2nnc(NN=Cc3ccc(OCc4ccccc4Cl)cc3)nc21 1772764979 MIZOHLOZAWJGDU-UHFFFAOYSA-N 442.910 5.195 30 10 IKEE CCCCCCCOc1cccnc1NC(=O)c1ccc(I)cc1 1858741253 POLMNZJFXKQYDT-UHFFFAOYSA-N 438.309 5.288 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCSC)NC(=O)c1c(C)ccc2ccccc12 1860992445 VAHHCEIVUSLRSX-QFIPXVFZSA-N 428.642 5.476 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)[C@@H](C)Oc1ccccc1C(C)C 1861653621 MQATVGMWJWVANK-FYYLOGMGSA-N 432.649 5.729 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2Cl)=C(O)C(=O)N1CCOC(C)C 1862379974 PXLOWLZAIBDVAI-HXUWFJFHSA-N 448.346 5.305 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cccc(F)c1)c1ccc(Cl)cc1Cl 1862383926 YYPXBDQOAPTNAB-IBGZPJMESA-N 434.294 5.653 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@H]1c1cccc(OC)c1 1862391986 NIYFNLNYWUZQOL-RUZDIDTESA-N 449.591 6.196 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(C)cc2)cc1C 1862400519 GQSPQTPWCCAIBN-XMMPIXPASA-N 433.548 5.613 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccc(O)cc2)cc1C 1862401177 VMZZWQBLRGFQLE-XMMPIXPASA-N 447.531 5.178 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(Cl)cc1 1862416069 CECVZEOTVLAHOQ-YIILKADPSA-N 445.893 5.775 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1cc(Cl)cc(Cl)c1 1862416641 QUVFUYBNNZCERZ-YPMLDQLKSA-N 440.273 5.648 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc3cc[nH]c3c2)c1 1862490938 HWDMCNMIQXLTGL-RUZDIDTESA-N 436.511 5.563 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(N(CC)CC)cc1 1862499097 YDASQURJRZVYHU-VWLOTQADSA-N 448.607 5.918 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862502179 SVAVTDQUWQMXQM-VWLOTQADSA-N 447.550 6.165 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2cccc(OC)c2)cc1 1862529967 LTAXQAIFVJGFNR-QHCPKHFHSA-N 447.556 5.140 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@@H]2c2cccc(C)c2)cc1 1862533384 LZSFMZVTSZSXJB-XMMPIXPASA-N 445.946 5.989 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cccc(C)c1 1862626260 ZHKSLCOTEOQNHL-DEOSSOPVSA-N 449.547 5.663 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1c(Cl)cccc1Cl 1862633909 QXMRERASULJEEM-NSPYISDASA-N 448.302 5.099 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1ccc(CC)cc1 1862637791 MEVVUSUYGDPPMB-QHCPKHFHSA-N 439.527 5.555 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccc1 1862648697 IMLDFXJMWSUHTN-DVKBMCPXSA-N 425.528 5.997 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(CC)cc1 1862650156 OYEYVMXWHIRZQR-AREMUKBSSA-N 441.571 6.561 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccc1[N+](=O)[O-] 1862654989 WVWKIUMPZICBFE-QHCPKHFHSA-N 444.487 5.517 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccc2ccccc12 1862666979 PQUADAWXESTBTK-SANMLTNESA-N 441.571 6.588 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(CC)cc1 1862673281 LJRRXHPOOYECDZ-QHCPKHFHSA-N 439.527 5.173 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@H]2c2ccccc2C)cc1 1862687033 GAQBPOVMJARCCT-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cccc(Cl)c1 1862741156 MBIVWNPXWYERKN-IBGZPJMESA-N 428.872 5.017 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2C)=C(c2ccc(OCC)cc2)C1=O 1863210574 DRZRXINZHNCPTK-UHFFFAOYSA-N 434.580 5.946 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(Nc2ccccc2C#N)=C(c2ccccc2Cl)C1=O 1863452346 IQURWYKGILCNHX-SFHVURJKSA-N 435.955 5.763 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCC)=C(c2ccc(OC)cc2OC)C1=O 1863753730 OGLOCZJGMXRSHM-UHFFFAOYSA-N 444.616 5.314 30 10 IKEE CCCC[C@@H](NC(=O)C[C@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccccc1C#N 1866746801 QPEDTBRNAULDLE-AZGAKELHSA-N 447.623 6.125 30 10 IKEE CCCCCCOc1ccc(C(=O)Nc2c(C#N)nnn2-c2ccc(C(C)C)cc2)cc1 1870143755 AHVPPSDGKBDBHQ-UHFFFAOYSA-N 431.540 5.474 30 10 IKEE Cc1ccccc1-c1ccc(-n2nnc(C#N)c2NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 1870160695 FSYHWZGGPSURIG-UHFFFAOYSA-N 437.547 5.269 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2c(C)cc(C)cc2C)cn1CCCCCC 1870382048 WZVXOWBHRYGGLW-UHFFFAOYSA-N 436.640 6.107 30 10 IKEE CCCCCCCOc1cn(Cc2ccccn2)c(CN(CCC)CCCC)cc1=O 1870414377 NFLISKLNRLGIHK-UHFFFAOYSA-N 427.633 5.653 30 10 IKEE Cc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCc2ccccc2)cc1 1871251310 XTGBDMBCYRJAHB-UHFFFAOYSA-N 449.554 5.462 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc([N+](=O)[O-])c(C)c4)c3C)C2=O)cc1 1871373971 YEHSPSJUBNXTRK-XKZIYDEJSA-N 445.427 5.056 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc(C)c3C2=O)o1 1871377492 NIWMIBADHCEPLN-VYGVVPBOSA-N 431.400 5.040 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2)C3=O)c(OCC)c1 1871386646 GBHSWSAAZCIHCC-OYKKKHCWSA-N 430.456 5.319 30 10 IKEE Cc1c(O[C@@H](C)C(=O)Nc2ccccc2)ccc2c1O/C(=C\c1ccc(Cl)cc1)C2=O 1871405876 RQZQZDGPPDTWTL-VOMLJKFNSA-N 433.891 5.671 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2sccc2C)C3=O)c1 1871411925 MGCBDRQSEGTWSG-FPJJECCMSA-N 447.556 6.004 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)c(C)c1 1871418980 XNUUUIQGAIZBIA-AJRXITOCSA-N 425.484 5.493 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OCC(=O)Nc3ccccc3Cl)cc(C)c2C1=O 1871455092 ARTDXCRTLZVBSO-ODLFYWEKSA-N 439.920 5.652 30 10 IKEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1871842875 XXHBFOSMUOEYTG-XMMPIXPASA-N 442.625 5.411 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccccc1CC)[C@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872496173 VPZDMULEDPPPDX-KOSHJBKYSA-N 442.625 5.096 30 10 IKEE CCOc1cc(-c2nc3ccc(C(=O)Nc4ccccc4C#N)cc3[nH]2)ccc1OC(C)C 1872735336 PBKIMFWDZKMKFO-UHFFFAOYSA-N 440.503 5.540 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3cccc(Cl)c3)cs2)cc1OC 1872766752 ODEOANCPOHAJSM-KOEDOTQGSA-N 438.936 5.760 30 10 IKEE CCOc1ccc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3C)cs2)cc1OC 1872769823 YOQBVUHUCRKSLC-HXUWFJFHSA-N 434.561 5.643 30 10 IKEE COc1c(Cl)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)CCOc2ccccc2)n1 1872778427 KYWDWMKIRSLBLT-INIZCTEOSA-N 447.343 5.771 30 10 IKEE CCN(CC)CCCCNC(=O)c1cccc(CSc2nc(C)c(C)c(C)c2C#N)c1 1872893517 YNHQICRCQAIBGY-UHFFFAOYSA-N 438.641 5.023 30 10 IKEE CCCCCCCCCCNC1=C(c2cccnc2)C(=O)N(CCCc2ccccc2)C1=O 1873077000 KZYQZPOEOWOREJ-UHFFFAOYSA-N 447.623 5.525 30 10 IKEE CCCCCCCCCCNC(=O)c1cc2c(N(C)C)ncnc2n1Cc1ccccc1 1873585424 HJQGHDZMMLUXPV-UHFFFAOYSA-N 435.616 5.416 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)c(Cl)c2)cc2c(NCCCCC)ncnc21 1873623047 RECDXNLOIZWFPO-UHFFFAOYSA-N 432.355 5.779 30 10 IKEE CCOc1ccc(/C=N/n2c(CCc3cccc4ccccc34)nnc2SCC)cc1 1874232542 XAUCHVDRMVAACG-NLRVBDNBSA-N 430.577 5.609 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1ccc(F)cc1F 1874252484 OMVXJDMMUVJADZ-VULFUBBASA-N 442.535 5.427 30 10 IKEE CCCSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1cn(C)c2ccccc12 1874261002 DAYGWHODMUEDTK-BRJLIKDPSA-N 441.507 5.011 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1ccc(OCC)cc1 1874327401 LXLYLYWITHYVFR-AFUMVMLFSA-N 436.581 5.423 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccccn2)cc1C 1874330525 WNWCFWNYRWSAIJ-LQKURTRISA-N 445.567 5.389 30 10 IKEE CSc1nnc(COCc2ccccc2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874351508 OSJXCHNMDAGFCY-WGOQTCKBSA-N 444.560 5.178 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2)c1 1874379684 GJBMFMOMLJCQTB-CVKSISIWSA-N 432.524 5.197 30 10 IKEE Oc1ccc(Cl)cc1/C=N/n1c(SCc2ccc(F)cc2)nnc1-c1cccs1 1874420794 FECBBDSIIFLFSP-FOKLQQMPSA-N 444.944 5.679 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C2CCCC2)cc1 1874452615 FGWFCOZYXSMPGV-WGOQTCKBSA-N 438.572 6.038 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CCCC)nnc2SCc2ccccc2C)cc1 1874476927 ZREGAANBCKJRBT-NLRVBDNBSA-N 436.625 6.283 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874480348 SQSKLCMGXSEKNV-WGOQTCKBSA-N 441.044 6.746 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCC3)n2/N=C/c2ccc(Cl)c(Cl)c2)c1 1874495899 KUGSNKGSYOCTSQ-BRJLIKDPSA-N 445.419 6.644 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874515721 MPDSJCDVNOKVSY-AUEPDCJTSA-N 439.799 6.536 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C)n2/N=C/c2c(Cl)cccc2Cl)c1C 1874528647 UUDDLNPRZNTIJI-AUEPDCJTSA-N 448.379 5.123 30 10 IKEE COc1cccc(/C=N/n2c(S)nnc2C2CCC2)c1OCc1c(F)cccc1Cl 1874559401 PSAMJBNLOHQRRI-BHGWPJFGSA-N 446.935 5.097 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(S)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874561365 ONUJDNNBHKLNBC-AEIQVQRHSA-N 448.979 5.833 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1cc(C)ccc1C 1874580188 BIVYYITUIXOLRU-PKNBQFBNSA-N 427.972 5.880 30 10 IKEE Cc1ccc(COc2ccc(Br)cc2/C=C/C(=O)c2ccc(F)cc2)cc1 1874583903 MAQFWGVCFGHIAY-XYOKQWHBSA-N 425.297 6.372 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1OCC(=O)Nc1cccc(C)c1 1874594638 UYDSUJOQMJRFKT-UXBLZVDNSA-N 437.442 5.195 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1OCc1cccc(Cl)c1 1874599910 KHJQQIJAXYLZJY-JLHYYAGUSA-N 448.990 7.430 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2F)c(Cl)c1)c1ccc(Br)cc1 1874607727 CHPAXRLJYYXKPZ-VZUCSPMQSA-N 445.715 6.717 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1Cl)Nc1nccs1 1874612504 YDHAIKRVJUPTNF-GQCTYLIASA-N 433.316 5.364 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])c1C 1874625061 KDMMVTUENQAXDJ-WUXMJOGZSA-N 448.450 5.264 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc([N+](=O)[O-])c1OCc1ccccc1 1874635335 MASBNTCXLZXOGB-VAWYXSNFSA-N 445.515 6.394 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3ccc(C)cc3C)c2)cc1 1874695915 YYLMFJOBTFFTGL-DTQAZKPQSA-N 442.555 6.527 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OC(=O)CCCOc1ccccc1 1874703294 IXXBMQUFRVSJEA-FYWRMAATSA-N 444.527 5.973 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccccc2F)c1)c1ccc(Oc2ccccc2)cc1 1874712668 KHCKREOUSZGYPN-QGOAFFKASA-N 438.454 6.733 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(C)cc3)c2)c(OC)c1OC 1874717460 VIKHRONWDRRZTC-WYMLVPIESA-N 446.499 5.065 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)cc2)cc1C 1875107385 NNJJXHWITXGICU-AHKBXZKQSA-N 446.930 6.262 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1 1875118235 RZKKYJPJMSUPKT-OVCLIPMQSA-N 437.289 5.573 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)c1cncc(C)c1 1875125310 BWVCKBACNNHZPP-IZZDOVSWSA-N 447.918 5.896 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)CCCSC 1875125544 NZDVARZVOTYRHQ-MDWZMJQESA-N 444.980 6.022 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)c3ccccc3)c(Cl)c2)cc1 1875155693 PLRQVZPSXZNKLB-POUQMFDLSA-N 432.947 7.069 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1OC(=O)c1ccc(C)cc1 1875159603 HMSTWENKWXZGEU-AWNIVKPZSA-N 449.434 5.556 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)C(C)C)c(Cl)c1 1875168065 QITBJJGHGVRUBM-GQCTYLIASA-N 427.711 6.113 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1[N+](=O)[O-] 1875170502 BKUIORJNTJXWHS-ZRDIBKRKSA-N 439.508 5.992 30 10 IKEE CC1(C)CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)[C@@H](CNC(=O)OC(C)(C)C)C1 1927163758 BYRATJIPXPYNMM-CJAUYULYSA-N 449.636 5.779 30 10 IKEE CCCN[C@H](CC#CC(C)(C)C)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1947486030 WRPMDNJTCDXVCH-DHIUTWEWSA-N 430.633 5.294 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)C1(C#N)[C@H]2CC[C@H]1CN(Cc1ccccc1)C2 1949708593 WEOAKFNKSDQGFJ-SFTDATJTSA-N 437.609 5.290 30 10 IKEE C=CC1(C[C@@H](CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)NCCC)CCC1 2002631717 AHBORHDEYYAGEL-QHCPKHFHSA-N 429.649 5.128 30 10 IKEE CC[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2014644555 JBHQRDWYMBBMHQ-CYFREDJKSA-N 435.609 5.628 30 10 IKEE C=CCC1([C@H](N)c2c(Br)ccc(Cl)c2F)CN(C(=O)OC(C)(C)C)C1 2037647121 BYLFPDMRZWDMGO-OAHLLOKOSA-N 433.749 5.055 30 10 IKEE Cc1nn2c3ccccc3n(C)c2c1C(=O)C=Cc1cc2ccccc2nc1N1CCCCC1 2040488156 LYBFHVUFWQIZMB-UHFFFAOYSA-N 449.558 5.569 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@H](CNC(=O)OC(C)(C)C)C1(C)C 2053042395 AZKQHJUWDALFAO-IQGLISFBSA-N 443.588 5.570 30 10 IKEE CC(C)(C)c1nn(-c2ccc(F)c(C(F)(F)F)n2)c(C(F)(F)F)c1Br 2078892493 BGCKFMSPBKVZDY-UHFFFAOYSA-N 434.153 5.504 30 10 IKEE CCc1ccc([C@H](C(C)C)n2nc(C3(C)CC3)c(C#N)c2I)cc1 2079090513 NOPOUBDUNINPFB-KRWDZBQOSA-N 433.337 5.219 30 10 IKEE CCCOc1ccc([C@H](n2nc(C(F)(F)F)c(C#N)c2Br)C2(C)CC2)cc1 2080077582 GXHGEZZGIBCDRJ-INIZCTEOSA-N 442.279 5.714 30 10 IKEE C=CCCCCCC[C@H](NCCC)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2085848257 XYXLCXSLSZXSOX-DQEYMECFSA-N 445.692 5.907 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCC[C@@H]2CSC[C@H]21 2087834391 SAFKTBKYLJDOGA-ZTQAJYAQSA-N 437.403 5.616 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@H](C#N)c1ccc(Cl)c(Br)c1F 2097606630 DPQOWNDJEYMYKN-OAHLLOKOSA-N 439.712 6.248 30 10 IKEE CN(CCN(Cc1ccccc1)[C@@H]1CCC(C)(C)[C@@](C#N)(NC2CC2)C1)Cc1ccccc1 2099187746 FTUXWCBPIYKTGM-XRKRLSELSA-N 444.667 5.214 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)c(C)n1 2100784848 SDXNOQJLDMZHHN-FUHWJXTLSA-N 426.399 5.053 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@]1(C)CNc1cc(Br)c(C#N)cc1F 2106033110 RZBDTLRFJAXHBJ-IBGZPJMESA-N 426.330 5.051 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21 2133970216 VTHREUWWTCMRFV-HQKZVIGLSA-N 448.563 5.714 30 10 IKEE CCCCC#CC[C@@H](NCC)c1ccc(I)c(Br)c1 2138986621 XBAMREMNWMHHLO-MRXNPFEDSA-N 434.159 5.288 30 10 IKEE C=CCC[C@H](C)[C@@H](NC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229131306 ZIAOYJXVLJDOAK-ZYSHUDEJSA-N 425.411 5.075 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCC)c2cc(Cl)cc(Cl)c2Cl)C1 2235593271 HQHOZUVFPABTMR-KRWDZBQOSA-N 433.807 6.159 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)C[C@H]2CCCC[C@H]21 2253872416 UPMRMBPKGKVMQP-BSWQBHCVSA-N 447.620 5.628 30 10 IKEE C=C(C)CCCC[C@@H](NCCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2259232368 ZZXPPOUWVVGGGC-XMMPIXPASA-N 444.660 5.945 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)c1ccc(Cl)c(Br)c1 2275424774 OOABHYHNNMEBCD-HXUWFJFHSA-N 439.733 5.408 30 10 IKEE CC(C)(C)OC(=O)NCc1cc(F)cc(Nc2ccc(C#N)c(Br)c2F)c1 2280488885 PGYRUWUKBRZGCB-UHFFFAOYSA-N 438.272 5.367 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1cccs1)C2=O)c1ccccc1Br 2314438166 JTJGSROPGRRXJZ-UHFFFAOYSA-N 427.275 5.346 30 10 IKEE COC(=O)c1ccc(C=C2SC(=Nc3cccc(C)n3)N(C3CCCCC3)C2=O)cc1 2314540756 XPTHHYGLLKECOP-UHFFFAOYSA-N 435.549 5.113 30 10 IKEE CC(C)c1ccc(C=C2SC(=Nc3ccncc3Cl)N(c3ccccc3)C2=O)cc1 2314542359 JRJOYYUKCCMLTA-UHFFFAOYSA-N 433.964 6.667 30 10 IKEE CSC1(C#C[C@@H](N)c2cc(NC(=O)OC(C)(C)C)ccc2Br)CCC1 2314686562 ASJXLFPRNZZJBI-MRXNPFEDSA-N 425.392 5.085 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C2CC2)cc1 2320921021 ZSZKLRZOTATBCU-UHFFFAOYSA-N 444.963 5.911 30 10 IKEE O=C1C(=Cc2cccc([N+](=O)[O-])c2)Oc2c1ccc1c2CN(Cc2cccc(Cl)c2)CO1 2322211759 VWQHRCIZWITZHT-UHFFFAOYSA-N 448.862 5.217 30 10 IKEE Sc1nnc(Cc2ccc(Br)cc2)n1N=Cc1ccc(Cl)c(Cl)c1 2322238828 ZMEKTYZJRPMDAI-UHFFFAOYSA-N 442.169 5.109 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2cc(C)ccc2C)c1 2322373942 KSIOPLMDLDTUGG-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2cccc(C)c2C)cc1C 2322408311 NBTYOHZZBHVWJT-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE CC(C)COC(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccc([N+](=O)[O-])cc1 2322474561 XZCQPRVXSAHYTM-UHFFFAOYSA-N 433.460 5.222 30 10 IKEE O=C(C=Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccc(Cl)cc1 2322528477 ONUMDPHYNBPOOE-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Br)ccc2OCc2ccc(F)cc2)c(C)c1 2322570091 PWRAVCLNRZTJTF-UHFFFAOYSA-N 439.324 6.680 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2ccccc2)cc1F 2322708597 IBXJWSLVTYBVMS-UHFFFAOYSA-N 439.870 5.401 30 10 IKEE CCOc1cc(C=NNc2ccc(F)cc2)ccc1OCc1ccc(Br)cc1 2322953429 XREUFLOLWVKTJH-UHFFFAOYSA-N 443.316 6.012 30 10 IKEE Cc1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc4c(c2)OCO4)C3=O)cc1 2323065003 NFQLTWKKAYGYJT-UHFFFAOYSA-N 440.451 5.267 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O 2323169075 BMUVEVVHIWXUGQ-UHFFFAOYSA-N 432.447 5.515 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1cccc(OCC(=O)Nc2ccc(C)cc2)c1 2323301593 PLDMRHFFYXKCCG-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE COC(=O)c1ccc(COc2cc(C=CC(=O)c3c(C)cc(C)cc3C)ccc2OC)o1 2323302192 WMTIYFVPLBBMQS-UHFFFAOYSA-N 434.488 5.475 30 10 IKEE C=CCN(Cc1ccccc1)[C@]1(C(=O)O)CN(Cc2ccccc2)C2(CCCCCC2)C1 2323305150 NGYOJQYYYUXQII-NDEPHWFRSA-N 432.608 5.497 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(F)cc2)c(Cl)c1)c1ccc(-c2ccccc2)cc1 2323351754 HJOXUGIAMARTOZ-UHFFFAOYSA-N 442.917 7.621 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Cl)c1OCc1ccc(C)cc1 2323725311 DHBPJGNVLNPMLQ-UHFFFAOYSA-N 442.889 6.800 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2Cl)c([N+](=O)[O-])c1)c1cccc(Cl)c1 2323766955 WYTQGINHTMPCOV-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 2323800680 MBRSVYGXYZFAFZ-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE Cc1cc(OC(=O)c2cccc(OC(C)C)c2)cc2c1C(=O)C(=Cc1cccc(Cl)c1)O2 2323808938 WQXMAIZOSXOHBO-UHFFFAOYSA-N 448.902 6.271 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2cc(Br)c(OCC)c(OC)c2)c1 2324398547 DVQPOFBDFIDWLP-UHFFFAOYSA-N 449.341 5.550 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccccc4)c3C)C2=O)cc1 2324402141 ZPVFOFODYRSMCF-KRWDZBQOSA-N 429.472 5.026 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)ccc1OCc1ccc(F)cc1 2324672624 GGZOUZRFFOTLLJ-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCc3cccc(C(=O)OC)c3)cc(C)c2C1=O 2324753070 FAXGDERSPXRDNU-UHFFFAOYSA-N 444.483 5.376 30 10 IKEE CCCOC(=O)[C@H](CC)Oc1ccc2c(c1C)OC(=Cc1c(F)cccc1Cl)C2=O 2325086369 MFXWDYJBJMUUDT-SFHVURJKSA-N 432.875 5.514 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(OC(=O)C(C)(C)C)c(OC)cc2Br)cc1 2325705157 KCLWSCHMUMOFSK-UHFFFAOYSA-N 445.353 5.868 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccccc3-c3ccccc3)c2)cc1 2325706047 XXVOYDJAFJZPCJ-UHFFFAOYSA-N 432.519 7.031 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccc(Cl)cc2)C3=O)c1 2325727381 XONUCCWYTCLABB-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)[C@H]3C[C@H]3c3ccccc3Cl)c2)cc1 2325734973 AEMAZZDMPPGYOC-ZEQRLZLVSA-N 446.930 6.344 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OC(=O)Cc1ccccc1Cl 2325735217 NEHYAKDXABIWDO-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)CCc3ccccc3C)c2)c(OC)c1 2325761932 WRSRYIQCSZFTAL-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(C)c(C)c3)c2)cc1Cl 2325768224 MPSIKRULGOGWJK-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE CCOc1cccc(C=Nn2c(CCCOc3ccc4ccccc4c3)nnc2SC)c1 2325882721 ZVMJABBVBLFTJD-UHFFFAOYSA-N 446.576 5.446 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccccc1O 2326006617 UUPRMMQIEGYLAA-UHFFFAOYSA-N 442.972 5.199 30 10 IKEE CCCSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1sccc1C 2326341670 CCDITVAWOVIVNO-UHFFFAOYSA-N 428.627 5.606 30 10 IKEE Cc1nnc(SCc2ccccc2Cl)n1N=Cc1ccccc1OCc1ccccc1 2326542354 XMCAIIFPIJHSIQ-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE CCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1c(F)cccc1Cl 2327268364 CJXHDGRPVONYIC-UHFFFAOYSA-N 432.952 5.569 30 10 IKEE N#Cc1ccccc1NC(=O)Oc1cccc2c(NC(=O)C=Cc3ccccc3)cccc12 2327378589 IXTGOEMZMITHOM-UHFFFAOYSA-N 433.467 5.974 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](C2CCC(C#N)(N(C(=O)OC(C)(C)C)C3CCC3)CC2)C1 2327982373 LAFWQBBMBXKSSN-CSKUQDPHSA-N 447.620 5.486 30 10 IKEE CCSc1nnc(COc2ccc(OC)cc2)n1N=Cc1ccc(Cl)c(Cl)c1 2328372085 YQOWBSKTALNMSE-UHFFFAOYSA-N 437.352 5.167 30 10 IKEE Cc1cccc(OCc2nnc(SCc3cccc(F)c3)n2N=Cc2ccco2)c1C 2328833326 UZRFNSQUULTDMY-UHFFFAOYSA-N 436.512 5.381 30 10 IKEE CCCSc1nnc(COc2cccc(C)c2C)n1N=Cc1cc(Cl)ccc1O 2328858400 WNYDOGVZHRCXBG-UHFFFAOYSA-N 430.961 5.217 30 10 IKEE C=CCSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1cccc(OC)c1OCCC 2330120514 HXHHBWRCTHRPMS-SFHVURJKSA-N 436.581 5.388 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2ccc([N+](=O)[O-])cc2)cc1 2330623565 IFAUMKHGULRSEO-UHFFFAOYSA-N 429.505 5.336 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)ccc1OC(=O)[C@H](C)c1ccccc1 2330795198 RDNMBONQOBPWGI-LJQANCHMSA-N 430.500 5.699 30 10 IKEE Clc1ccc(CSc2nnc([C@H]3CCCO3)n2N=Cc2ccccc2)cc1Cl 2331002405 OEYPDUCZLOEOII-GOSISDBHSA-N 433.364 5.611 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(-n3cccc3)cc2)c(Cl)c1)c1ccccc1 2331165890 PKLOIGDWAFQJCY-UHFFFAOYSA-N 427.887 6.246 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccc(C)cc3C)cc2)cc1 2331188472 IBHDGHGOHDINPO-UHFFFAOYSA-N 430.500 5.583 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3ccco3)c(OC)c2)cc1 2331299172 COMIWDLGOIAJDJ-UHFFFAOYSA-N 436.460 5.201 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1OCC 2331417887 XQUJNDXJGFWALL-UHFFFAOYSA-N 442.983 7.028 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2331509810 GYJMGGFQCZDRGU-UHFFFAOYSA-N 445.471 5.842 30 10 IKEE CCCc1nnc(SCCc2ccccc2)n1N=Cc1ccc(OC(C)C)c(OC)c1 2331653513 SKQVMAHZPHPLSD-UHFFFAOYSA-N 438.597 5.243 30 10 IKEE CC(C)c1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(C(C)(C)C)cc1 2331708222 ROWNYCAVGWMDKQ-UHFFFAOYSA-N 427.017 6.527 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OC 2331780045 VXPHLQYVEWTCPD-UHFFFAOYSA-N 444.527 5.673 30 10 IKEE CCC[C@@H](CCNC(=O)OC(C)(C)C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339597621 YKOHFCOUBIDIBX-IBGZPJMESA-N 446.397 5.189 30 10 IKEE C=CCC(CC=C)[C@H](NC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2364013404 QLXZONOQLFPIEG-PMACEKPBSA-N 437.422 5.241 30 10 IKEE Cc1c(Cl)cc(C(=O)N2CC[C@](C)(B3OC(C)(C)C(C)(C)O3)C2)cc1Br 2368350193 LTKGLFVZHBOJPQ-IBGZPJMESA-N 442.590 5.109 30 10 IKEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1c(OC)ccc3ccccc13)N2 14544228 XRCGKSRTXIDTJE-WOVHNISZSA-N 446.572 5.139 30 10 IKEE O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1)NC1CCCCCC1 15867224 AMNUINMVOITLRY-AREMUKBSSA-N 433.552 5.099 30 10 IKEE COc1ccc(NC(=S)N/N=C2\CC3(CCCCC3)Oc3ccc(O)cc32)cc1Cl 20682677 LNDRBEJEUWDKGB-XIEYBQDHSA-N 445.972 5.230 30 10 IKEE COc1ccc(OC)c([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)c1 21258323 QCTYFKJCYALZPA-VKGTZQKMSA-N 440.543 5.992 30 10 IKEE COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(N=[N+]=[N-])ccc12 26951430 JAHUHVVHFLBQSP-UHFFFAOYSA-N 434.481 5.454 30 10 IKEE CCOc1ccc2[nH]c(S[C@@H](C(=O)Nc3ccc(C#N)cc3)c3ccccc3)nc2c1 59842439 OEFUMNCMSHHCNL-JOCHJYFZSA-N 428.517 5.305 30 10 IKEE C/C(=N\Nc1nc(S[C@@H](C)c2nnc(C3CCC3)o2)n[nH]1)c1ccc2ccccc2c1 59881083 VTTCTKNTJMDVAP-KIQCMGJBSA-N 433.541 5.298 30 10 IKEE Cc1cc(Nc2ccc3[nH]nc(-c4ccc(Cl)c(Cl)c4)c3c2)n2ncc(C#N)c2n1 71405493 AFRYURLJSVTAGI-UHFFFAOYSA-N 434.290 5.503 30 10 IKEE O=C(NCC#CCOc1cccc(Br)c1)c1ccc(Oc2ccccc2)cc1 90731304 HFPKZFHSANRSKD-UHFFFAOYSA-N 436.305 5.054 30 10 IKEE O=C(/C=C/C(=O)c1ccc(Br)cc1)Nc1ccc(Cl)cc1C(F)(F)F 96580304 OLMCFBGAXXBVGX-BQYQJAHWSA-N 432.623 5.499 30 10 IKEE O=C(/C=C\c1ccc(COc2c(F)c(F)cc(F)c2F)o1)c1ccc(OC(F)F)cc1 96603045 ZWYHAOJQBUAAOZ-FPLPWBNLSA-N 442.311 5.913 30 10 IKEE CCCCCCCOc1ccc(C(=O)N(Cc2ccco2)Cc2ccc([C@H]3C[C@@H]3C)o2)cc1 101909940 LZCGSEKGHCUKRQ-LVXARBLLSA-N 449.591 7.188 30 10 IKEE CCCCCCCCCN1C(=O)[C@@H](C)Oc2ccc(-c3csc(-c4ccccn4)n3)cc21 103753725 GZEBIOKCPVJOTK-LJQANCHMSA-N 449.620 6.737 30 10 IKEE CCCOc1c(OC)cc(/C=N\Nc2nc(-c3cccs3)c(C)s2)cc1[N+](=O)[O-] 169942262 GZJXQJRNKORPRH-JAIQZWGSSA-N 432.527 5.332 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2cccc(C)c2)cc1 169966801 CJMDOVNOZJNBGP-RUZDIDTESA-N 440.543 5.406 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1cccc(OC(C)C)c1 169980994 SLOGDNKHSUIVDK-XMMPIXPASA-N 435.564 5.805 30 10 IKEE CCCCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccccn2)cc1 169993607 XWCOPDNKRZITEU-XMMPIXPASA-N 444.506 5.655 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccccc2)cc1 170029137 JNXODEUUMBPDOE-RUZDIDTESA-N 427.500 5.187 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccccc2C)cc1 170029883 NYDJUMBNIFOEQB-VWLOTQADSA-N 441.527 5.793 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccccc2C)c1 170088014 SUEDAAYVAKTOFR-QHCPKHFHSA-N 449.453 5.455 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccs2)ccc1Cl 170163707 XOUVWUNIRGVSQU-IBGZPJMESA-N 431.941 5.321 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1cccnc1)c1ccc(Cl)c(Cl)c1 170184896 APFGLPCMZOTIGG-IBGZPJMESA-N 443.261 5.310 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(OC)c3)[C@@H]2c2ccccc2)cc1 170224781 GRZRLHVUXRTIHY-QFIPXVFZSA-N 449.890 5.140 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2)cc1C(C)(C)C 170226088 ZOLOJXIRYYUYOP-DEOSSOPVSA-N 441.527 5.776 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccccc2F)cc1 170248891 AHIAWJFGVPAIGY-HSZRJFAPSA-N 447.462 5.101 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccccc2C)cc1 170272382 OYYWVBADQKWMSK-VWLOTQADSA-N 441.527 5.874 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccco2)c1 170282716 PUNXEUJJIFFXOU-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccc(C)o2)c1 170301986 QHHGKHAQZLMELP-XMMPIXPASA-N 445.515 5.775 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccc(C)o2)cc1 170302124 JJUPQLWZRFWOLC-DEOSSOPVSA-N 445.515 5.777 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccco2)=C(O)C(=O)N1c1cc(Cl)cc(Cl)c1 170398026 IOZYHUFVCSCIEQ-LJQANCHMSA-N 428.271 5.678 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccco2)=C(O)C(=O)N1c1ccc(C(F)(F)F)cc1 170399683 QBJQGDYGVKJHRG-LJQANCHMSA-N 427.378 5.390 30 10 IKEE C=CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1C12CC3CC(CC(C3)C1)C2 253566266 ISQKICWSDDOQCP-UHFFFAOYSA-N 436.625 5.280 30 10 IKEE C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C/c1ccc(C(F)(F)F)cc1)C2=O 253575072 UELTYJDTQILMTO-OZQMKWRVSA-N 446.553 6.671 30 10 IKEE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=S)Nc3ccccc3)cc2)cc1 254382296 RZLQXWZBYWWYHG-UHFFFAOYSA-N 447.560 5.405 30 10 IKEE COc1ccc(C=NOCc2ccc(Br)cc2)cc1OCc1ccccc1 254865627 IDOIYMAHWNUSHS-UHFFFAOYSA-N 426.310 5.587 30 10 IKEE C=CCCCCC[C@@H](NCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 406602449 AUBHQYLADWTOFG-LJQANCHMSA-N 425.411 6.583 30 10 IKEE C=CCNC(=O)c1ccc(NC(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1 586691679 GEEBINWQXZGDRT-UHFFFAOYSA-N 435.911 5.479 30 10 IKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C#N)c1ccc(Br)c(Br)c1 698399633 PJPPVZZGIKVQMV-IAQYHMDHSA-N 446.183 5.812 30 10 IKEE C[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)c2ccccc21 698402773 BBKCGQZYNBVNBE-NYHFZMIOSA-N 427.342 6.117 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@H](C#N)c1cc(Br)c(Cl)s1 698418942 NVLVJHVDRPUKAQ-CYBMUJFWSA-N 433.799 6.298 30 10 IKEE CCCCCCC[C@@](C)(C(N)=O)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 698457034 PBGKSOBNXWHJIN-NRFANRHFSA-N 441.410 5.795 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)CC1 704039962 DWPIUKABKQIPEW-QHCPKHFHSA-N 433.524 5.251 30 10 IKEE C=C(Cl)C[C@H](NCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 710691582 ZEMBMRYMFIUXFU-DLBZAZTESA-N 431.802 5.006 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C1 724073651 WIOOONOTBBCIIV-QMHKHESXSA-N 449.979 5.669 30 10 IKEE O=[N+]([O-])c1ccc(O)c(C=Nc2ccc(OCC(F)(F)C(F)F)c(C(F)(F)F)c2)c1 1084340377 KIKLPNHZISBAIR-UHFFFAOYSA-N 440.271 5.349 30 10 IKEE CC(=O)Nc1ccc(N=Cc2ccc(OC(=O)c3sc4ccccc4c3Cl)cc2)cc1 1084405895 PFXPQEDFTBZRFD-UHFFFAOYSA-N 448.931 6.483 30 10 IKEE O=C(/C=C\c1ccc(Cl)cc1)c1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1 1084456222 FGDRDOVQDLOUHA-SXGWCWSVSA-N 437.882 6.190 30 10 IKEE O=C1/C(=C/c2cccn2-c2ccccc2)SC(=Nc2ccccc2)N1C1CCCCC1 1084591266 ZLKMSFINXZCURY-VDJURDQESA-N 427.573 6.414 30 10 IKEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1CCC[C@@H]1CC 1538983132 NZIBDNBIVMQWII-ULQDDVLXSA-N 445.405 5.000 30 10 IKEE CC1=C(c2ccccc2)[C@@H]2[C@](C)(C1=O)[C@@]1(C)C(=O)[C@@]2(C)C(c2ccccc2)=C1c1ccccc1 1616048125 PPAHKOHUGHVCKH-GDWLNVSCSA-N 444.574 6.885 30 10 IKEE C=CCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=Nc1nc(-c2ccccc2)cs1 1772734064 CPICSWYTDQTBTF-GIFQUSADSA-N 448.529 5.508 30 10 IKEE C=CCN1C(=O)/C(=C(\C)c2cccc(OC)c2)SC1=Nc1nc(-c2ccccc2)cs1 1772735896 IRMGAURMASXCKZ-YKXMXDARSA-N 447.585 5.999 30 10 IKEE Cc1cc(C)cc(OC(=O)c2oc3c(c2C)C(=NNC(=S)Nc2ccccc2)CCC3)c1 1772750374 QUVOKBSPHVCRHH-UHFFFAOYSA-N 447.560 5.451 30 10 IKEE Cc1ccc(SCCCC(=O)Nc2c(C#N)cnn2-c2ccc3ccccc3n2)cc1 1859760135 DBAXKMCUHSMGOQ-UHFFFAOYSA-N 427.533 5.112 30 10 IKEE CCCOc1ccc(/C=C/C(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1OC 1860728737 UHYRUHAFXQJQAS-XBXARRHUSA-N 441.833 5.377 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc2cc[nH]c2c1 1862381111 RWEGKDGOIZNMME-HXUWFJFHSA-N 443.330 5.709 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc2cc[nH]c2c1 1862407310 LEYMWLYSDNYSJR-HSZRJFAPSA-N 432.520 5.253 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCC)cc1 1862438032 DTYGSIYNIPSKTE-JOCHJYFZSA-N 441.955 5.897 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1)c1ccc(Br)cc1 1862465977 YPLOMXWPCIKDKO-OAQYLSRUSA-N 448.316 5.228 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1cc(Cl)cc(Cl)c1 1862467137 JNJUJPXEXOPSJX-QGZVFWFLSA-N 444.236 5.397 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccc(Cl)cc2)c1 1862490792 DOCKYVBIMYUTMZ-DEOSSOPVSA-N 449.978 6.426 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@@H]2c2ccccc2C)ccc1F 1862506722 AGAPYDRAZBTLJO-HSZRJFAPSA-N 449.909 5.874 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccc(O)cc2)cc1 1862529148 BVOJGDXSZWWXKY-XMMPIXPASA-N 431.532 5.423 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(C(C)(C)C)cc1 1862549664 UNZJRUXTFFHWCS-RUZDIDTESA-N 445.603 6.097 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)cc1 1862561643 VZNJINPQLUEVHU-VXWZWFMZSA-N 432.564 5.549 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862614957 GXHLXEAKKIVMAA-RUZDIDTESA-N 439.555 6.071 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1ccc(Cl)cc1 1862641534 VKQCVSZRKYKDNX-NRFANRHFSA-N 445.918 5.646 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc(Cl)cc2)cc1 1862689273 MKMKVDNUGJQGIK-QPJICYPMSA-N 439.939 5.506 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)cc1 1862694345 HKVHUYISCOJZHU-OUPRXKBMSA-N 449.547 5.251 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccc(C)cc2)c1 1862698127 AKUXSQRJYNUJPX-UUOWRZLLSA-N 427.500 5.343 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1 1862713827 XSVIIWUVFANVGZ-VWLOTQADSA-N 443.543 5.625 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(F)cc3Cl)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1C 1862880163 ZPZNVSUXMKANOZ-UHFFFAOYSA-N 445.881 5.364 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(SC)c2)=C(c2ccccc2F)C1=O 1863301816 CDNMKVHPKRZDQQ-UHFFFAOYSA-N 440.584 6.100 30 10 IKEE CCCCCCCCNC1=C(c2c[nH]c3ccccc23)C(=O)N(CCc2ccccc2)C1=O 1863809785 ZQJZMPMETHWERR-UHFFFAOYSA-N 443.591 5.441 30 10 IKEE CCCCCCCCCCCC(=O)Nc1nc2ccc(S(=O)(=O)NC)cc2s1 1865985923 ABQZFXOSZWAOIV-UHFFFAOYSA-N 425.620 5.064 30 10 IKEE N#Cc1cnn(-c2ccccc2F)c1NC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 1865997344 DLVLIMGQYHFAHY-NTCAYCPXSA-N 438.462 5.114 30 10 IKEE CC[C@](C)(NC(=O)[C@H](c1ccc(Cl)cc1)C1CCCC1)C(=O)Nc1cccc(C#N)c1 1867007799 OEPCWBZZUUVNNO-DHLKQENFSA-N 437.971 5.409 30 10 IKEE Cc1nc(C2CCN(c3cc(Nc4ccccc4C#N)nc(C(C)C)n3)CC2)sc1C 1868238964 YWFSZZZFXAXRCU-UHFFFAOYSA-N 432.597 5.673 30 10 IKEE Cc1ccccc1-c1nc(Nc2cccc(C#N)c2)cc(N2CCc3nc[nH]c3[C@@H]2C(C)C)n1 1868293183 ZKACHYZUZQLTPT-SANMLTNESA-N 449.562 5.550 30 10 IKEE CCCc1nc(Nc2ccc(C#N)cc2)cc(N2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)n1 1868401421 YZNUEPBMWAUZFT-VGSWGCGISA-N 431.515 5.150 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(C)cc2)c(=O)cc1CNc1cccc(C)c1 1871206485 RTLRJCIOCHQIIR-UHFFFAOYSA-N 446.635 7.017 30 10 IKEE Cc1ccc(C)c(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCC(C)C)c1 1871252320 VKYWYXUWQBKUJC-UHFFFAOYSA-N 429.564 5.574 30 10 IKEE CCCCCCCCCCn1cc(OCCCO)c(=O)cc1CNc1ccc(F)cc1 1871265067 IKRVPNNFOBBOOY-UHFFFAOYSA-N 432.580 5.501 30 10 IKEE CCCCC[C@@H](CC)N1COc2c(cc3c(c2C)O/C(=C\c2ccccc2OCC)C3=O)C1 1871353752 ZFUMJRZWEJUEIS-SYANTJLKSA-N 449.591 6.521 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)CCc4ccc(C)cc4)cc(C)c3C2=O)cc1 1871367472 NIZCNUPAQBENMH-XYGWBWBKSA-N 442.511 5.857 30 10 IKEE Cc1cc(OC(=O)c2ccccc2[N+](=O)[O-])cc2c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O2 1871369412 KQFBVAUZGHMVRW-QRVIBDJDSA-N 443.455 5.862 30 10 IKEE Cc1c(OC(=O)/C=C/c2ccc(Cl)cc2)ccc2c1O/C(=C\c1cccc(F)c1)C2=O 1871375151 VRFOHDCGJQRXCG-BWXIOLLUSA-N 434.850 6.023 30 10 IKEE Cc1c(OC(=O)c2cc(Cl)ccc2Cl)ccc2c1O/C(=C\c1ccc(F)cc1)C2=O 1871381050 LAIFILASQCNNHQ-JMIUGGIZSA-N 443.257 6.276 30 10 IKEE CCCCC1CCC(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(OC)cc2)C3=O)CC1 1871382848 GPXWTXAXRNIEGG-XYGWBWBKSA-N 448.559 6.522 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCCCOc4ccc(C)cc4)cc(C)c3C2=O)cc1 1871404770 FNEPSHWTYXAINJ-ONUIUJJFSA-N 428.528 6.330 30 10 IKEE Cc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccccc1Cl)C2=O 1871410354 YUKIEMOQBVAGQJ-PGECNJAHSA-N 447.918 5.979 30 10 IKEE CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2C)C3=O)c1 1871426825 ZDRXRRPMOVIXTO-DBXOKZBGSA-N 441.483 5.220 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(O[C@H](C)C(=O)Nc4c(C)cccc4C)c3C)C2=O)c1 1871430270 GITALBOUHSFRJO-ZOLHPDHPSA-N 441.527 5.942 30 10 IKEE CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1C)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 1871434458 SXZIIACMUTYTIS-BDBXIWDTSA-N 449.330 6.029 30 10 IKEE CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O 1871435148 XVHGPJGKSMVNEU-BDBXIWDTSA-N 445.309 5.176 30 10 IKEE COc1ccc(Cl)cc1NC(=O)COc1ccc2c(c1)O/C(=C\c1cccs1)C2=O 1871452501 ILZNJCAQFOKZHW-JAIQZWGSSA-N 441.892 5.044 30 10 IKEE CCCCCCCCN=c1nc(N(CC)CC)[nH]c(=Nc2ccc(Cl)c(Cl)c2)[nH]1 1871486374 OIQIMIOCIFUQHP-UHFFFAOYSA-N 439.435 5.384 30 10 IKEE C=CCN([C@@H](CC)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872461708 YUQDWDPDFLMHAO-NRFANRHFSA-N 449.016 5.168 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3Br)n2)cc1 1872768316 PIBMZLAXJNYLQQ-INIZCTEOSA-N 427.323 5.461 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(Cl)cc3Cl)n2)c(C)c1 1872769010 HCMYDNGIUJNYLM-KRZKXXONSA-N 427.356 6.623 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)c(C)c1 1872769660 XNYQHBIGPQRZAW-RCZSKKKRSA-N 443.572 5.213 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@H](C#N)C(=O)Cc3ccccc3Cl)n2)c1 1872780465 IYASBFSPQMFPHU-GOSISDBHSA-N 440.952 5.680 30 10 IKEE CCc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2cc(C)c(Cl)cc2OC)cs1 1872786362 IGLAMFKZPLODHK-KRWDZBQOSA-N 440.952 5.598 30 10 IKEE CCn1c2ccccc2c2cc(NC(=O)c3ccc(COc4ccc(C#N)cc4)cc3)ccc21 1872869553 HOBAYNPWPZXRQS-UHFFFAOYSA-N 445.522 6.517 30 10 IKEE C=CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N([C@@H](CC)CCCCC)C1=O 1873170351 WJDSBUGEHBXCCU-QFIPXVFZSA-N 433.596 5.309 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(CC)cc2)=C(c2ccccc2C)C1=O 1873303010 OELQORHOCHUJTQ-UHFFFAOYSA-N 446.635 6.890 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2OC)=C(c2c(C)cc(C)cc2C)C1=O 1873331704 XIYMFKZJHITUMC-UHFFFAOYSA-N 448.607 6.173 30 10 IKEE CCCCCCCCNC(=O)c1cc2c(N3C[C@@H](C)C[C@H](C)C3)ncnc2n1CCC 1873571945 LYJUVQKBCUVJQF-PMACEKPBSA-N 427.637 5.414 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(Br)c(C)c1)n2CCCC 1873612988 QVBZRPSSIYFWQJ-UHFFFAOYSA-N 442.361 5.153 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccccc1C)n2CCC 1873629215 QZKWJQKYXIDKIJ-UHFFFAOYSA-N 449.643 6.955 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)c(Cl)c2)cc2c(N(CC)CCCC)ncnc21 1873654832 YFXXWPPCVBWXAW-UHFFFAOYSA-N 446.382 5.803 30 10 IKEE CCCSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1ccccc1F 1874224145 UTWWRIGOBNNWPE-KOEQRZSOSA-N 426.561 5.376 30 10 IKEE CSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874250537 IOIIOZLQPOMLBZ-AFUMVMLFSA-N 434.487 5.221 30 10 IKEE Clc1ccc(OCc2nnc(SCCc3ccccc3)n2/N=C/c2ccccn2)cc1 1874265247 OMPIQGSVUOLUOM-WGOQTCKBSA-N 449.967 5.123 30 10 IKEE Clc1ccccc1OCc1nnc(SCCc2ccccc2)n1/N=C/c1ccccc1 1874266759 NAEADGYHIWSNBK-YZSQISJMSA-N 448.979 5.728 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2)n1/N=C/c1cccc(OCCC)c1 1874317644 FCHAFJLRVJLVRH-NCELDCMTSA-N 436.581 5.239 30 10 IKEE Cc1cccc(/C=N/n2c(CCOc3ccccc3)nnc2SCCc2ccccc2)c1 1874346502 RXECJGOIKQRBIG-NHFJDJAPSA-N 442.588 5.425 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2ccccc2C)nnc1[C@@H](C)c1ccccc1 1874392683 RNPHXPMALREQCD-KKMLCIJBSA-N 442.588 5.921 30 10 IKEE C=C(C)CSc1nnc(Cc2ccccc2)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874416801 IYFNYRJQOFWDEU-MFKUBSTISA-N 436.581 5.215 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2ccc[nH]2)c(Cl)c1 1874430272 APSIDJFMIRIBGQ-WYMPLXKRSA-N 428.348 5.755 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C2CCC2)c1 1874498756 QCEKCIHBWFVEFL-DHRITJCHSA-N 444.963 5.911 30 10 IKEE CCCOc1c(/C=N/n2c(SCc3ccc(C)cc3)nnc2C2CC2)cccc1OC 1874516614 FTXLFFMVFJFOMB-MFKUBSTISA-N 436.581 5.436 30 10 IKEE COC(=O)c1ccc(CSc2nnc(C3CC3)n2/N=C/c2ccc(C(C)(C)C)cc2)o1 1874519127 CKRLCJMLGJEQDN-ZMOGYAJESA-N 438.553 5.007 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1cc(Cl)ccc1O 1874527900 JTESNEUREIDHSB-LSFURLLWSA-N 441.771 5.681 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc(C(=O)O)cc1 1874528086 RXJPTCMKFKQMJQ-LSHDLFTRSA-N 435.336 5.020 30 10 IKEE CC(C)(C)Cc1nnc(S)n1/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 1874560286 PTQBXUZJUDENHN-WYMPLXKRSA-N 449.407 5.923 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2)cc1 1874573573 VCJYKASBLHFEFQ-KNTRCKAVSA-N 427.544 6.251 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c1OCc1cc(C)ccc1C 1874583155 ZFJBZFZPYLTKRE-SAPNQHFASA-N 428.572 7.085 30 10 IKEE COC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1cc(Cl)cc(Cl)c1OC 1874587163 YNINXGJJOLGNQM-HWKANZROSA-N 429.683 5.103 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(C)c(C)c2)c1OCc1cc(C)ccc1C 1874588268 GHUKGPZXYMKCNW-ZHACJKMWSA-N 434.963 7.057 30 10 IKEE C=CCOc1ccc(Br)cc1/C=C/C(=O)c1cc(Cl)c(OC)c(Cl)c1 1874590767 SZOSGAOFXDCJJB-GQCTYLIASA-N 442.136 6.225 30 10 IKEE O=C(COc1cccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1)Nc1ccc(F)cc1 1874593292 CBZHSKSGDPIRAT-NYYWCZLTSA-N 444.289 6.046 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OCc3nc(O)c4ccccc4n3)c2)cc1 1874596210 JVRJSKAUBFVVNY-XNTDXEJSSA-N 426.472 5.209 30 10 IKEE C=CCOc1c(OC)ccc(/C=C/C(=O)c2cc(Cl)ccc2OC)c1Br 1874600834 FZVWFVQUUQLSOW-VMPITWQZSA-N 437.717 5.581 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCc3cccc(Cl)c3)c2)c(OC)c1OC 1874601081 RYURZJZHSZXUAR-ZRDIBKRKSA-N 438.907 5.841 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2ccc(F)cc2)cc1OC(=O)C1CCCC1 1874709383 DBPGZEBEVZOJST-DHZHZOJOSA-N 447.300 5.589 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC(C)C)c(Br)c2)cc1OC 1875099127 YIHTXXBQCSVZGL-VMPITWQZSA-N 447.325 5.314 30 10 IKEE CCCCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccc(CC)cc2)cc1OC 1875103288 RLQPGSXRCONDLO-JLHYYAGUSA-N 445.353 6.012 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc(Cl)c1OC(=O)c1ccco1 1875108278 HIODBYAEIIDJHC-VQHVLOKHSA-N 440.879 5.764 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] 1875121393 NMXWRTNZGMTSQX-UXBLZVDNSA-N 439.826 5.432 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC(=O)CCc1ccccc1 1875125419 IGZUOBSDPSNBHR-OVCLIPMQSA-N 434.919 6.173 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(CC)cc3)c([N+](=O)[O-])c2)cc1 1875129962 BSWWUVUYDRJNAB-VIZOYTHASA-N 445.471 5.671 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C(F)(F)F)cc3)c(Cl)c2)cc1 1875133484 XJRPXJWYAUDCDN-UUILKARUSA-N 444.836 6.783 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)c1cnc(C)cn1 1875135902 OCEIRDMHFBKNOF-JXMROGBWSA-N 436.895 5.261 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc([N+](=O)[O-])c1OC(=O)C1CCC1 1875142272 SLSNNQUKUIEOAX-JXMROGBWSA-N 427.428 5.043 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2Cl)cc1[N+](=O)[O-] 1875158028 BLDALGWBIRTXPS-XCVCLJGOSA-N 439.826 5.811 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Br)c1OC(=O)C(C)(C)C 1875177098 VBNXNRPMRMTUJB-CSKARUKUSA-N 445.353 5.922 30 10 IKEE COc1cccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2OC)c1 1875179044 QGIQXARHLBMNPP-FMIVXFBMSA-N 446.499 5.201 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OC(=O)CCc2ccccc2)cc1 1875180018 CYMGQQOSQJWTBO-GXDHUFHOSA-N 434.919 6.091 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1 1875191841 HGSDAGHUKOVMIU-RVDMUPIBSA-N 442.898 6.617 30 10 IKEE C=C(COCc1ccccc1)[C@H](NC)[C@@H]1CC[C@@H]2CCCC[C@@H]2N1C(=O)OC(C)(C)C 1922072878 YPTMPUGXHZFTJN-ZJZGAYNASA-N 428.617 5.306 30 10 IKEE C=C(COCc1ccccc1)[C@H](O)c1ccc(Br)cc1NC(=O)OC(C)(C)C 1922132238 HBVFCZZIBXLETF-FQEVSTJZSA-N 448.357 5.603 30 10 IKEE CCCCCCC[C@@H](NCCC)c1sc(Br)c(C)c1Br 1922912648 PHBSUJLFOJFYKL-CYBMUJFWSA-N 425.274 6.983 30 10 IKEE CCCCCCC[C@@H](CCCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 1951577690 RJJFVZCIUKOORU-FQEVSTJZSA-N 437.580 6.509 30 10 IKEE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCC#N)C(C)(C)C 1984696548 ZDNAIJMVTVRVMV-XMMPIXPASA-N 447.579 5.090 30 10 IKEE CC[C@@H]1N(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1991578794 JJHLDGGBJBXXQJ-HTAPYJJXSA-N 435.952 5.373 30 10 IKEE C=C([C@@H](NCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)C(C)(C)C 1997461935 PSCBBDAWCUGMBM-GJZUVCINSA-N 430.633 5.411 30 10 IKEE CCCCCCCCCC[C@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NC 2035465746 VOZHMKMFTWMSFD-RPBOFIJWSA-N 448.692 6.605 30 10 IKEE COc1cccc(C=C(C(=O)c2cc(OC)c(OC)c(OC)c2)c2nc3ccccc3o2)c1 2040470383 XVPZVSNYEKASNZ-UHFFFAOYSA-N 445.471 5.286 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)C2(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2042142213 UFKQHQNLLKOURR-LDSCYUJKSA-N 445.535 5.106 30 10 IKEE CCN[C@@]1(C#N)C[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)CC(C)(C)C1 2063662406 VDWIZPVSMDCBNX-XCZPVHLTSA-N 432.656 5.071 30 10 IKEE CC[C@@H](c1ccc(C)c(F)c1)n1nc(C(C)(C)C)c(/C=N/O)c1I 2078999845 WQUYKVMMYCCMLH-LKKXKRCMSA-N 443.304 5.040 30 10 IKEE CC(C)c1nn([C@@H](c2ccc(C(F)(F)F)c(F)c2)C2CCC2)c(Br)c1C#N 2079970353 QUFAUPXHFBKGFZ-QGZVFWFLSA-N 444.270 6.188 30 10 IKEE CC1(C)OB(c2cnc(Oc3cc(Cl)cc(Cl)c3)c(Br)c2)OC1(C)C 2115996565 PUESRHLUDCKZSO-UHFFFAOYSA-N 444.949 5.242 30 10 IKEE CCc1ccc(Nc2ccc(C#N)cc2Br)cc1I 2128723768 JNSPXNBPVOIHNT-UHFFFAOYSA-N 427.083 5.231 30 10 IKEE C=CC[C@H](CNC(=O)OC(C)(C)C)COc1cc(Br)ccc1C(F)(F)F 2137388454 YZOMZYMLNJNXHJ-GFCCVEGCSA-N 438.284 5.564 30 10 IKEE CC(C)(C)OC(=O)N[C@H](CCNc1cccc(Br)c1C#N)c1ccccc1 2162417185 ZDFKHLIBQUNGPT-GOSISDBHSA-N 430.346 5.389 30 10 IKEE CCC1(CC)CCC(C#N)(N(C(=O)OC(C)(C)C)c2cccc(Br)c2)CC1 2171385071 TZDAOWIPFNYCRP-UHFFFAOYSA-N 435.406 6.833 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H](CCC)N(C)C(=O)OC(C)(C)C 2235723025 DGQYUFFIRSEYQT-WOJBJXKFSA-N 437.422 5.204 30 10 IKEE CCCC#C[C@@H](NCCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237412941 XKVJMZGUBLYJCD-UXHICEINSA-N 437.422 5.057 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 2243597666 YTQQSAKELTYNSI-SXOMAYOGSA-N 444.575 5.405 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](C2CC(C#N)(N(C(=O)OC(C)(C)C)C3CCCC3)C2)C1 2246963403 HNYDEQZVEUNMJN-MDPMHESRSA-N 433.593 5.095 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)[C@]2(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 2249580167 SXAJTJPJLBAZOH-MICWEPACSA-N 447.963 5.231 30 10 IKEE C=CCCC1([C@@H](NC)c2ccc(Cl)cc2Br)CN(C(=O)OC(C)(C)C)C1 2266309671 HMCJRGQYLGVQTC-KRWDZBQOSA-N 443.813 5.566 30 10 IKEE C[C@@H](c1ccc(NC(=O)OC(C)(C)C)cc1)[C@@H](N)C#Cc1cccc(Br)c1 2296216176 IBGOKDDVFMSHBW-YWZLYKJASA-N 429.358 5.279 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(F)c([C@H](O)C#Cc2ccc(Br)cc2)cc1F 2296289675 UJVNXDMOFPBCMC-GOSISDBHSA-N 438.268 5.159 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)CC[C@@H](C)CCNC(=O)OC(C)(C)C 2296310844 OOUNCMJJBLXLMD-XLIONFOSSA-N 437.422 5.110 30 10 IKEE CCN[C@H](C#C[C@H](OC)C1CCCC1)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 2303639875 HHELKJOCMKFRHW-RPWUZVMVSA-N 428.617 5.001 30 10 IKEE Oc1ccccc1C=Nn1c(CCc2ccccc2)nnc1SCc1ccc(Cl)cc1 2318575066 YPNQKSYRVMFKEX-UHFFFAOYSA-N 448.979 5.597 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1c(F)cccc1Cl)O3)CN(Cc1ccccc1)CO2 2321981764 IYJIJUIKVACODY-UHFFFAOYSA-N 435.882 5.756 30 10 IKEE COc1cccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3ccc(Cl)cc3)C4)C2=O)c1 2322305517 MCQCAWPYRRAMMB-UHFFFAOYSA-N 447.918 5.625 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc([N+](=O)[O-])cc1)C3=O)CN(Cc1ccccc1F)CO2 2322350436 PHJPXOFOWYHRDD-UHFFFAOYSA-N 446.434 5.011 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)NCc2ccccc2)cc1 2322359596 PAFPHKRNGLPZJE-UHFFFAOYSA-N 433.935 5.494 30 10 IKEE Cc1cc(C)cc(OCCN2COc3c(cc4c(c3C)OC(=Cc3ccc(C)o3)C4=O)C2)c1 2322416564 YIQBUSHBMGVLMU-UHFFFAOYSA-N 445.515 5.360 30 10 IKEE CC(C)(C)n1ncc(NN=Cc2ccccc2OCc2ccc(Cl)cc2)c(Cl)c1=O 2322601322 DCPQAMUMGJUXJS-UHFFFAOYSA-N 445.350 5.330 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccccc1OCC(=O)Nc1c(C)cccc1C 2322638212 RBJAKSBGXZMZQS-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE COc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2c(F)cccc2Cl)C3=O)c1 2322724469 BWXMKENGTBWCNV-UHFFFAOYSA-N 438.838 5.632 30 10 IKEE C=C(C)COc1c(OC)ccc(C=CC(=O)c2cc(OC)ccc2OC)c1Br 2323177801 SJPBHVASDIYJCG-UHFFFAOYSA-N 447.325 5.326 30 10 IKEE COc1cc(C=NNc2nc3ccc(C)cc3[nH]2)cc([N+](=O)[O-])c1OCc1cccc(C)c1 2323202323 FLSYSIHIWIWKJT-UHFFFAOYSA-N 445.479 5.122 30 10 IKEE CCCOc1ccccc1C=CC(=O)Oc1ccc2c(c1)OC(=Cc1cccnc1)C2=O 2323341063 SAGHWQCTQYTIHV-UHFFFAOYSA-N 427.456 5.105 30 10 IKEE CCCCCCCCCOc1ccc(C=NS(=O)(=O)c2cccs2)c(Cl)c1 2323438005 CHBJAVXMDXLIRC-UHFFFAOYSA-N 428.019 6.339 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OCCc2ccccc2)c(Br)c1 2323701657 GTDZLXYYTPXOKK-UHFFFAOYSA-N 437.333 5.975 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(Cl)cc2)C3=O)c1 2323858406 RJBFBSJRHIFUFC-UHFFFAOYSA-N 446.886 6.049 30 10 IKEE C=C(C)COc1c(Br)cc(C=CC(=O)c2cc(OC)ccc2OC)cc1OC 2324023794 GEEVWAVLQJVDJC-UHFFFAOYSA-N 447.325 5.326 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OCc1ccc(C)cc1 2324335667 ZVJDKIGNJDETIA-UHFFFAOYSA-N 444.571 6.721 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccc(C)o2)C3=O)c1 2324463736 DZNDKYISPWRDEP-GOSISDBHSA-N 431.488 5.535 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2sccc2C)C3=O)c1 2324464618 PQZUNUAJESXWRZ-SFHVURJKSA-N 447.556 6.004 30 10 IKEE CCc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4cccc(C)c4C)ccc3C2=O)cc1 2324498842 UFIWFXDBSLJEIF-IBGZPJMESA-N 441.527 5.888 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OCC(=O)Nc2ccccc2)cc1 2324523041 RRUQIXBJMWHAPB-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc([N+](=O)[O-])cc3)n2)cc1 2324545894 YKWMERQUXQCBSM-HXUWFJFHSA-N 433.489 5.397 30 10 IKEE COc1ccc(OCCOc2cc(C)c3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1 2324677151 VPQZAXXTAHPWNR-UHFFFAOYSA-N 436.891 5.731 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc(C)cc3)c(Cl)c2)c2ccccc12 2324682727 LRPSQUFTYNEONR-UHFFFAOYSA-N 442.942 7.285 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OCc2cccc(C)c2)c(Cl)c1 2324696931 RAAWIMRFGZGJQL-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE COC(=O)c1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc1 2324788058 LZDWJIFQLTVJSV-FQEVSTJZSA-N 430.529 5.412 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCC(=O)Nc4cccc(Cl)c4C)ccc3C2=O)c1 2325053728 TWNBHKLFRFKLNJ-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1cccc(F)c1)O2 2325513435 HXGOATPGCNIIHF-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE C=CCSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1cccc(F)c1 2325913500 VRSLVUZACWTXFF-UHFFFAOYSA-N 437.327 5.463 30 10 IKEE CCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccc(F)cc1F 2325997697 NLDZWUXCIAXXLW-UHFFFAOYSA-N 436.915 5.216 30 10 IKEE C=CCSc1nnc(COc2ccccc2Cl)n1N=Cc1c(F)cccc1Cl 2327674385 PPXOKNVJTOFXGN-UHFFFAOYSA-N 437.327 5.463 30 10 IKEE CCCSc1nnc(COc2ccc(OC)cc2)n1N=Cc1ccccc1OC(C)C 2328410370 LKWRSMUDTYEWMQ-UHFFFAOYSA-N 440.569 5.037 30 10 IKEE COc1cccc(C=NNc2ccnc(Cl)n2)c1OCc1ccc(Cl)c(Cl)c1 2328841501 KJTBEXYPFYLRLH-UHFFFAOYSA-N 437.714 5.470 30 10 IKEE O=C(C=CC(=O)c1ccc(Br)cc1)Nc1ccc(Cl)cc1C(F)(F)F 2329423874 OLMCFBGAXXBVGX-UHFFFAOYSA-N 432.623 5.499 30 10 IKEE Cc1ccccc1CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1ccc(F)cc1F 2330056417 FMZMTQXZCHIRCC-SFHVURJKSA-N 448.542 6.191 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc[nH]1 2330149354 DXUJACNYFXHEKT-OAHLLOKOSA-N 439.947 5.725 30 10 IKEE Clc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2-c2ccccc2)cc1 2330694317 SUISTPJBQDIOHX-UHFFFAOYSA-N 439.371 6.426 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(CC)cc2)cc(OC)c1OC(=O)c1ccc(F)cc1 2330767279 DKJKDCPILMFGDZ-UHFFFAOYSA-N 444.502 6.241 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)c1cccs1 2330906167 KTUZVHWLUIWAGU-UHFFFAOYSA-N 433.312 6.179 30 10 IKEE O=C(O)c1ccccc1C=Nn1c(SCc2ccc(Cl)cc2)nnc1C1CCCC1 2331086943 FQBZRHVIIQZNEY-UHFFFAOYSA-N 440.956 5.462 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(N(C)C)cc3)c(Cl)c2)cc1 2331195683 VFUPLXFDDPEEAF-UHFFFAOYSA-N 449.934 5.920 30 10 IKEE CCCCc1nnc(SCc2ccccc2C)n1N=Cc1ccc(N(CC)CC)cc1 2331322635 WFCPVHPKIWSWDL-UHFFFAOYSA-N 435.641 5.950 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)Cc1ccc(C)c(C)c1 2331326313 VQAJAYDNYXFDIB-UHFFFAOYSA-N 442.555 6.363 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2sccc2C)cc1 2331377019 ZCIVVPYKAPNKLI-UHFFFAOYSA-N 441.626 5.121 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@H]2C[C@H]2c2ccccc2Cl)cc1)c1ccc2c(c1)OCO2 2331434661 JKKCHSZYPUNYKJ-SFTDATJTSA-N 446.886 5.674 30 10 IKEE C=C(C)CSc1nnc(C(C)C)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2331696340 VOCKLEGPVZGDII-UHFFFAOYSA-N 441.000 6.184 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3)c([N+](=O)[O-])c2)c(C)c1 2331769790 WPYFNWRRFVSOJU-UHFFFAOYSA-N 443.499 5.954 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3)c(OC)c2)cc1C 2331854650 JGBKZQMBEVEWEU-UHFFFAOYSA-N 434.463 5.575 30 10 IKEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CN(Cc2ccccc2)C2(CCCCCC2)C1 2350764136 RFHWELXDSUHVKK-LJAQVGFWSA-N 446.635 5.887 30 10 IKEE COc1ccccc1NC(=O)c1cc2ccccc2c(/C=N/c2ccc(Cl)cc2)c1O 3130101 YINJOIJEGMKFCV-JFLMPSFJSA-N 430.891 6.210 30 10 IKEE Cc1ccc(-c2c(C#N)c(SCc3ccc(Cl)c(Cl)c3)nc3c2CCCC3)cc1 8443117 KLKKJISHNJVUGN-UHFFFAOYSA-N 439.411 7.407 30 10 IKEE O=C1ON=C(c2ccccc2)/C1=C/c1ccc(-c2ccc(C(=O)OCc3ccccc3)cc2)o1 20058182 JGZCTYDEHJOFBN-ULJHMMPZSA-N 449.462 5.648 30 10 IKEE C/C=C/C=C/C(=O)Nc1cccc(/C=C/C(=O)c2cccc(NC(=O)/C=C/C=C/C)c2)c1 20075246 QPTGFYCJPWPMKS-KSUZRXENSA-N 426.516 5.724 30 10 IKEE N#Cc1cccc(COc2c(Br)cc(Br)cc2Br)c1 20362758 GDZNMFUUGWDTHF-UHFFFAOYSA-N 445.936 5.425 30 10 IKEE C=CCOC[C@@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C(C)C 36316270 GXQOPMXYECINIJ-QHCPKHFHSA-N 449.595 5.001 30 10 IKEE C=CCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2[C@@H]1c1cccc(OCCC(C)C)c1 38593694 AXEBZPUECOLRDB-DEOSSOPVSA-N 431.532 5.566 30 10 IKEE COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 40844600 DWMNXVUQMFLJJZ-UHFFFAOYSA-N 440.495 5.675 30 10 IKEE Cc1cc(OC(=O)Cc2cccs2)cc2c1C(=O)/C(=C/c1cn(C)c3ccccc13)O2 41354670 GJYOPPFNNIJMHB-JJFYIABZSA-N 429.497 5.313 30 10 IKEE COc1ccc(/C(CSc2nc3ccccc3o2)=N\Nc2ccc([N+](=O)[O-])cc2)cc1 59460524 BZYRVIBYADHEOF-QQTULTPQSA-N 434.477 5.353 30 10 IKEE CCCCCCCOc1ccc(NC(=O)CCC(=O)OCCCc2ccccc2)cc1 100155405 UHNJJLCZPAYRCU-UHFFFAOYSA-N 425.569 5.931 30 10 IKEE Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)oc2c1/C(=N\Nc1ccccc1)CC(C)(C)C2 101109024 QXPMWGSRCPFTOO-DIBXZPPDSA-N 432.480 5.537 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3c(Cl)cccc3Cl)o2)S/C1=N/c1nccs1 101128052 PEFPPLIRZQMKOQ-FEMWFCKZSA-N 436.345 5.944 30 10 IKEE CCCCCCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(N(C)C)cc1 101285122 DQHQGHHKZDCYJW-VWLOTQADSA-N 446.595 5.905 30 10 IKEE Cc1ccsc1/C=C1/Oc2cc(OCc3ccc(Br)cc3)ccc2C1=O 103019196 OLHOLJWABGMOOB-YBFXNURJSA-N 427.319 6.014 30 10 IKEE C=CC(=O)OCC[N+](CC)(CC)C[C@H](O)COCCCCCCCCCCCCCC 111900204 LUQANLJGQLAYCD-VWLOTQADSA-N 442.705 5.651 30 10 IKEE CCCCCCCCCCCCOc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1 139855201 PCLCTXMFWNAZAP-UHFFFAOYSA-N 433.614 6.493 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C)c2)cc1 169922941 OMSKDSCCBJGXGW-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 169953676 HNJPJKNZXQEROG-RUZDIDTESA-N 440.543 5.406 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccc(F)c(F)c2)c1 169968350 JVSZVWPDACDPEU-HSZRJFAPSA-N 433.454 5.673 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2sccc2C)c1 170105422 OQJLTXIALBXQII-FQEVSTJZSA-N 439.483 5.734 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2c2ccccc2C)c1 170142717 GJFVAFNYYSITSX-RUZDIDTESA-N 441.527 5.874 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccs2)c1C 170158776 VGXVQTYACNSZHR-QFIPXVFZSA-N 429.497 5.894 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccn2)cc1C 170169948 XIQZLSAIFMGFBA-QHCPKHFHSA-N 446.478 5.101 30 10 IKEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@H]1c1ccccc1)c1ccc2c(c1)CCCC2 170234579 DVBGRYNUEOMJQF-DEOSSOPVSA-N 449.510 5.225 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccccc1C 170277500 HZDPFWISMGLHDK-RUZDIDTESA-N 449.591 6.107 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccco2)cc1C 170279841 MRNCSDRTONUTAE-NRFANRHFSA-N 437.517 5.217 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2sccc2C)c1 170314367 PCURHSFCWHKCNA-QHCPKHFHSA-N 439.536 6.301 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1sccc1C 170317683 RFTJTSVHKWSQNA-LJQANCHMSA-N 429.513 5.115 30 10 IKEE Cc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C(=Nc3ccccc3)S2)c(C)c1 252624474 POLQYPVNZHMTEU-QHCPKHFHSA-N 443.572 5.464 30 10 IKEE CC(=NN=C1N=C(O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)S1)C1CCCCC1 252625344 QHSJPLDQJYSMPY-MRXNPFEDSA-N 440.491 5.418 30 10 IKEE COc1cccc(C=NNc2ccc([N+](=O)[O-])cc2)c1OCCCOc1c(C)cccc1C 254871393 BSOYIPLJNAWQJA-UHFFFAOYSA-N 449.507 5.514 30 10 IKEE O=C1C(=Nc2cccc(Cl)c2)C[C@H](c2ccc(Cl)cc2)N1c1cccc(Cl)c1 257352179 JQHPQOGMXVPYEK-OAQYLSRUSA-N 429.734 6.898 30 10 IKEE CCOc1ccc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1Cl 526488654 LNULDFAFNOVZKG-NRFANRHFSA-N 436.920 5.729 30 10 IKEE CCc1nnc(SCc2ccccc2F)n1/N=C\c1ccccc1OCc1ccccc1 526802597 IDBPZWUBJHASAB-YUMHPJSZSA-N 446.551 5.733 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1cccc(C2CC2)c1 698442587 FNGDRKGXIQIROE-FQEVSTJZSA-N 427.342 6.333 30 10 IKEE CCCN1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Br)CC1 698453321 FITXJKIFRHJSIW-NRFANRHFSA-N 436.394 5.349 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]([C@](C)(C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)C1 699643654 KGUHIPFUADUXJJ-UUOWRZLLSA-N 435.609 5.486 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)cc(Br)cc1F 701864892 VGSHYLIBDZKESK-WMZOPIPTSA-N 447.364 5.628 30 10 IKEE CC1(C)CSC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)C1 710799066 FWHDFUKVJYVLGL-LJQANCHMSA-N 425.392 5.616 30 10 IKEE COCO[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCC(=O)OC)[C@@H]12 725237576 JYIDECZSCQDTCO-UBHFVVSQSA-N 446.628 5.323 30 10 IKEE C=CCNc1nnc(SCC(=O)Nc2nc(-c3ccccc3)c(C(C)C)s2)s1 1559351847 PGNXOMOBOCLJBK-UHFFFAOYSA-N 431.612 5.114 30 10 IKEE Cc1cccc(NC(=O)[C@@]23CC[C@@](C)(C(=NOC(=O)c4ccccc4Cl)C2)C3(C)C)c1 1772722712 QGFDLXXZODYDLJ-LOSJGSFVSA-N 438.955 6.016 30 10 IKEE COc1ccc(CC(=O)Oc2cccc3c(NC(=O)c4cccc(C#N)c4)cccc23)cc1 1858930221 YFLXIIVMVSHCML-UHFFFAOYSA-N 436.467 5.120 30 10 IKEE N#Cc1cnn(-c2ccccc2)c1NC(=O)c1ccc2nc(-c3ccc(Cl)cc3)oc2c1 1859743937 LNUJPQPHLZGUSA-UHFFFAOYSA-N 439.862 5.458 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccccc2C)cc1 1862390304 ZZIAFUVSJQMTCW-RUZDIDTESA-N 448.607 5.258 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@@H]1c1ccc(N(C)C)cc1 1862395027 MUGUKKKFRYXRGV-VWLOTQADSA-N 448.607 5.864 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2cccc3ccccc23)cc1C 1862405820 UACCQWACGAGWII-RUZDIDTESA-N 443.543 5.781 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862440215 VJBLOUVQODVYRW-KSFYIVLOSA-N 441.955 5.896 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@H]1c1ccc(F)cc1)c1cccc(Cl)c1 1862441891 DVDKKKPMTCYIIN-QFIPXVFZSA-N 441.930 6.170 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 1862448069 FAFLYONTFCVEPM-HXUWFJFHSA-N 440.883 5.159 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2C2CC2)cc1 1862463321 QZXGRGMFERAUGN-NRFANRHFSA-N 445.437 5.024 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OCC)cc1 1862478316 DLJPQFSBNRVFDU-RUZDIDTESA-N 449.591 6.333 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(Cl)cc2Cl)cc1 1862482886 SKKDJURYHHULGV-NRFANRHFSA-N 444.358 6.213 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 1862518265 GAWXPRPSNPPQPV-UUOWRZLLSA-N 449.591 6.150 30 10 IKEE CCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccccc1C 1862554760 KICSDJBKACOXEA-RUZDIDTESA-N 448.607 6.296 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862582423 DHXVKEMKTCWACP-SFHVURJKSA-N 449.290 5.136 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(Cl)c2)cc1 1862617249 HIXKGYIPYAMLAK-QFIPXVFZSA-N 437.967 6.158 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccc1Cl 1862652778 LDFZDKBAAJKSJA-XMMPIXPASA-N 447.962 6.652 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccccc2F)cc1 1862661326 DKWDUWQQWTVJKX-CJAUYULYSA-N 443.518 6.289 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(Cl)cc1 1862661534 RCMUGTPEWRJMIU-JOCHJYFZSA-N 425.956 6.232 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(OCC)c(OCC)c1 1862671949 WOQHFYAUDHPCFE-DEOSSOPVSA-N 449.547 5.372 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 1862675191 DLGFFLQXKZJFMA-QFIPXVFZSA-N 439.914 5.948 30 10 IKEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1cccc(Cl)c1)c1ccc2ccccc2c1 1862712059 ITMGUNLMTZQLLI-JTHBVZDNSA-N 447.918 5.251 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CC(C)C)cc1 1862716978 SXNXCQUUWCDJIP-RUZDIDTESA-N 443.543 5.863 30 10 IKEE N#Cc1cccc(NC2=C(c3ccc(Cl)c(Cl)c3)C(=O)N(c3ccccc3)C2=O)c1 1862907710 BRHAZVAPTMTTPN-UHFFFAOYSA-N 434.282 5.262 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(C)c(C)c3)C2=O)cc1 1863260764 GGTSAYYUVZOOPF-FQEVSTJZSA-N 449.554 5.691 30 10 IKEE CCc1nc(Nc2ccccc2C#N)cc(N2CCC[C@H]2c2nc3ccccc3s2)n1 1868286429 IBGIKWWCTQOJTC-IBGZPJMESA-N 426.549 5.605 30 10 IKEE Cc1cccc(N(Cc2cccnc2)c2cc(Nc3ccc(C#N)cc3)nc(C(C)(C)C)n2)c1 1868356374 XFNXKPOTHUGETJ-UHFFFAOYSA-N 448.574 6.431 30 10 IKEE N#Cc1nnn(Cc2c(Cl)ccc(Cl)c2Cl)c1NC(=O)c1ccc(Cl)s1 1870109968 SVLRAPWSMYYPBS-UHFFFAOYSA-N 447.134 5.125 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(O)cc2)c(CNc2cc(C)ccc2C)cc1=O 1870839700 YFLBZHNYUJZFFU-UHFFFAOYSA-N 448.607 6.180 30 10 IKEE C#CCOc1cn(Cc2ccc(C)cc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871009497 YTNLALGLKARMCY-UHFFFAOYSA-N 449.554 5.573 30 10 IKEE C=CCn1cc(OCCCCOc2ccccc2C)c(=O)cc1CNc1cc(C)ccc1C 1871228182 YWTIWJWUCSQKQZ-UHFFFAOYSA-N 446.591 5.810 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)c1 1871387541 ATOXHJYZYLEPGW-QRVIBDJDSA-N 445.427 5.219 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O)c1cccc(OCc2ccccc2)c1 1871388558 CHFYZONCGZZCHM-MYYYXRDXSA-N 438.435 5.694 30 10 IKEE CCCCN(CC)Cc1c(O)cc(C)c2c1O/C(=C\c1c(Cl)cccc1Cl)C2=O 1871395811 QBNCZEKIFISHSX-NDENLUEZSA-N 434.363 6.246 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OCCOc4cccc(C)c4)c3C)C2=O)c1OC 1871406081 HALQQLJTKJBMBU-JLPGSUDCSA-N 446.499 5.395 30 10 IKEE Cc1ccc(CCOc2ccc3c(c2C)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)cc1 1871437717 ZVERVKBTVMWVMO-ITYLOYPMSA-N 426.556 6.839 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(C(C)C)cc1)C(C)C)S(=O)(=O)c1cccs1 1871828877 DCJCJCBEWFXZAG-NRFANRHFSA-N 434.627 5.102 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(CCCC)cc1)c1ccccc1)S(=O)(=O)C1CC1 1871833719 SIXWQXWEZSNSSU-XMMPIXPASA-N 440.609 5.079 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cccc(C)c1)[C@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1872266949 ARHHHCZRRHQANK-GCJKJVERSA-N 449.016 5.269 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(OCC(C)C)c3)n2)cc1OC 1872761938 ZREKNRURJFWYAE-IBGZPJMESA-N 436.533 5.352 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(OC(C)C)cc3)n2)cc1 1872770577 YLKUOWFFYOJBBF-JOCHJYFZSA-N 434.561 5.805 30 10 IKEE CCc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)cc1 1872778973 YNGUGTQJJRFJEZ-JOCHJYFZSA-N 448.588 6.033 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)s3)n2)cc1C(C)C 1872779044 AFMHHJOZEZIVDO-OAHLLOKOSA-N 430.982 6.456 30 10 IKEE Cc1nc(SCc2cccc(C(=O)NCc3cccc(Cl)c3)c2)c(C#N)c(C)c1C 1872893394 WDUYQAGFLLNNMM-UHFFFAOYSA-N 435.980 5.754 30 10 IKEE C=CCN1C(=O)C(Nc2cccc(SC)c2)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873276354 CHOUKESXYUOCNU-UHFFFAOYSA-N 426.541 5.454 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc([N+](=O)[O-])c2)=C(c2cc(C)ccc2C)C1=O 1873395040 UDEAAVPXBKCALC-UHFFFAOYSA-N 449.551 5.764 30 10 IKEE CCCSc1nnc(COc2ccccc2Cl)n1/N=C/c1cn(C)c2ccccc12 1874268908 GQIAFWREULNMSQ-ZMOGYAJESA-N 439.972 5.387 30 10 IKEE C=C(C)CSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874285017 KZVHTKFCGMTFKJ-BUVRLJJBSA-N 441.601 6.201 30 10 IKEE C=C(C)CSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1cc(Cl)ccc1O 1874288131 OXDOHPSJGHCMGH-AFUMVMLFSA-N 447.048 6.652 30 10 IKEE CCCSc1nnc(CCOc2ccccc2)n1/N=C/c1cccc(Br)c1 1874347504 RHXNIVVJDPVOPS-PXLXIMEGSA-N 445.386 5.046 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(C)c3)n2/N=C/c2ccc(F)cc2)cc1 1874388440 MGOIETFQRMHLLD-JVWAILMASA-N 430.552 5.799 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2)n1/N=C/c1ccc(F)cc1F 1874395805 WCLQCVBZONBGHB-VSWHYLHOSA-N 434.515 5.883 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2-c2cccs2)cc1 1874424232 AYYAGIXRUPZRBZ-YDZHTSKRSA-N 440.981 5.843 30 10 IKEE COc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccc(Cl)cc2)c1 1874440160 MCRSUCNJNKYQHT-ZVHZXABRSA-N 428.989 5.703 30 10 IKEE CSc1nnc(C2CCCC2)n1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1874451805 PSWCFTUFSJSRDX-WPWMEQJKSA-N 442.588 6.272 30 10 IKEE COc1cccc(/C=N/n2c(SCCc3ccccc3)nnc2C2CCCC2)c1OC 1874455848 NLCQTYHZYRHREE-KOEQRZSOSA-N 436.581 5.170 30 10 IKEE Fc1ccc(CSc2nnc(C(F)(F)F)n2/N=C/c2ccc(C(F)(F)F)cc2)cc1 1874458615 XMYQBNCZQNHPLF-JQAMDZJQSA-N 448.367 5.629 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2-c2ccco2)cc1 1874465396 HGJVVHMQBDMSMB-YZSQISJMSA-N 445.592 5.867 30 10 IKEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2C2CCC2)cc1 1874493256 CJEYZKXAPDFJCX-CVKSISIWSA-N 447.608 5.338 30 10 IKEE CCCOc1ccc(/C=N/n2c(S)nnc2COc2cc(C)c(Cl)c(C)c2)cc1 1874568894 WORAMPNIJOVGPD-FSJBWODESA-N 430.961 5.087 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(Cl)cc2/C=C/C(=O)c2ccccc2Cl)o1 1874574947 MXKORRHVMSMFRY-JXMROGBWSA-N 445.298 6.238 30 10 IKEE CCOc1c(Br)cc(Br)cc1/C=C/C(=O)c1ccc(Cl)cc1 1874577450 NZJLNNATOLGSCB-VMPITWQZSA-N 444.550 6.160 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCc2c(Cl)cccc2Cl)cc1F 1874582263 GIBPUDHKEIUJAM-PKNBQFBNSA-N 431.290 6.616 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2nc(O)c3ccccc3n2)cc1C 1874587752 BWFQSTBZWMXLBX-PKNBQFBNSA-N 444.918 6.081 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1c(OCc2ccccc2F)ccc2ccccc12 1874592021 ODQRGODZBWEDSL-OUKQBFOZSA-N 446.905 7.116 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OCc2ccc(Cl)cc2)c1 1874598064 RUVJBKXALSMNQR-GXDHUFHOSA-N 434.963 7.121 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1Cl)Nc1ccccc1 1874608995 RLUPRIBGVRVXBQ-ZRDIBKRKSA-N 426.299 5.907 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1 1874629772 TXMRUTIAQUIPRY-PKNBQFBNSA-N 449.934 5.879 30 10 IKEE CCCOc1c(OCC)cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc1[N+](=O)[O-] 1874638584 HXVRTBJCEGHWON-ZRDIBKRKSA-N 435.476 5.840 30 10 IKEE C=C(C)COc1c(OCC)cc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc1[N+](=O)[O-] 1874639033 DXWAKFYEQWBMLS-SOFGYWHQSA-N 431.872 5.507 30 10 IKEE CCCCCCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(OC)c1 1874686618 YFYSMYNNBNUPGF-RUZDIDTESA-N 449.595 5.593 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1cccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c1 1874697995 FYPQQCPUAYQMOP-MKMNVTDBSA-N 435.863 5.683 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1OC(=O)c1cncc(C)c1 1874705941 IFSPQTPNJOHWCV-WUXMJOGZSA-N 429.516 5.811 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2cc(OCC)c(O)c([N+](=O)[O-])c2)cc1 1874719227 PGJIGOKTYARVFF-NTEUORMPSA-N 427.497 5.944 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC(=O)CC 1875082580 IIVPUYZONFJVRF-SFQUDFHCSA-N 426.512 6.302 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3ccccn3)c(OC)c2)cc1C 1875107351 LUACRIQSGFPJDR-VQHVLOKHSA-N 437.879 5.176 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cc(C)ccc3C)c(OC)c2)cc1C 1875108698 BKWVHQDUKHKWRT-DHZHZOJOSA-N 444.527 5.673 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc(Cl)c3)cc2[N+](=O)[O-])cc1 1875121153 BWBRKPBFHLWCJO-VZUCSPMQSA-N 437.835 5.372 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1[N+](=O)[O-] 1875124992 LSOZXFGCZAKHTL-UKTHLTGXSA-N 445.462 6.425 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)COc1ccccc1 1875158531 ABSZBDMBWSIVSS-XNTDXEJSSA-N 446.474 5.443 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)c3cncc(C)c3)cc2)c1 1875171525 AOKPDTKICVJACF-XYOKQWHBSA-N 431.488 5.303 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)c(F)c3F)cc2)cc1Cl 1875187971 ZZVCRHWMYILVHV-ONNFQVAWSA-N 446.808 5.881 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)c1cccs1 1875190713 NELDEBJOSDPSNY-WEVVVXLNSA-N 447.339 6.569 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc1OCC 1875193415 JBAZOYKGCWCOJJ-JLHYYAGUSA-N 444.955 6.519 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(C(F)(F)F)c(F)c3)cc21 1890534037 KSVKTCZOJNHAJC-UHFFFAOYSA-N 436.405 5.034 30 10 IKEE C[C@H](C(=O)N1CCC(COc2ncccc2C#N)CC1)c1ccc(-c2ccccc2)c(F)c1 1891452269 VSZBYCREJYMKKH-IBGZPJMESA-N 443.522 5.180 30 10 IKEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1ccc(-c2ccc(F)cc2)cc1 1891654573 XNZDAQGWXQCCAS-UHFFFAOYSA-N 427.397 5.324 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCC)c2ccc(Br)c(Cl)c2F)C1 1892677575 MMHVANVBQMFGKU-INIZCTEOSA-N 447.776 5.506 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@H](O)c1ccc(Cl)c(Br)c1F 1922087041 VSQYGKRATRWXAF-VQTJNVASSA-N 442.756 5.026 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CC2(CCC2)CN1C(=O)OC(C)(C)C 1922108274 SIHQPJLTPANDCN-GOTSBHOMSA-N 428.617 5.307 30 10 IKEE COc1cccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)c1Br 1927307176 XCVHOPBJPCTSAZ-MRXNPFEDSA-N 435.293 5.603 30 10 IKEE C=C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(C)C)[C@H](CCCC)C(=O)O 1927515256 YACKMBUARHQUDL-SQHAQQRYSA-N 435.564 5.997 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@]1(C#N)CCN(Cc2ccccc2)CC1(C)C 1934060281 FHVIEQQOIPJUDX-MHZLTWQESA-N 433.596 5.618 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@H]1CCCCN1C(=O)OC(C)(C)C 1944736791 QOUUEPYLVHCODJ-UXHICEINSA-N 429.561 5.418 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 1945521307 FLOVHSXHZRFUMF-AYOQOUSVSA-N 433.524 5.105 30 10 IKEE C#CCC1(NC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)CC)CCC1 1984779080 OWKVSELMIWVISV-UQBPGWFLSA-N 444.575 5.002 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@]1(C#N)CCCC[C@@H]1OCc1ccccc1 1998817779 IWNKGWFKUIXKSQ-OZXSUGGESA-N 426.601 6.368 30 10 IKEE C=CC1(C[C@@H](NCCC)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)CCC1 2002629156 ZXSWQVBYHRHUOL-PKTZIBPZSA-N 429.649 5.126 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@](C)(C#N)[C@@H]1CCCSC1 2029444610 VKEAMUOXHAEXLO-AUUYWEPGSA-N 425.392 5.616 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2cccs2)cc1Cl 2033815411 HTNRZBYAVQWXCO-IBGZPJMESA-N 443.908 5.090 30 10 IKEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)c(Cl)c1 2041577655 HQOAIHGBVYTOPS-IRXDYDNUSA-N 429.786 5.060 30 10 IKEE Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)C=Cc1ccnc2ccccc12 2042453132 QYNPXBBHIZVBNV-UHFFFAOYSA-N 434.926 7.308 30 10 IKEE CSCCCN1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=Nc1cc(C)ccc1C 2053622702 LEPXUNDDOVPBMB-UHFFFAOYSA-N 441.578 5.569 30 10 IKEE 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)c1ccccc1)C2 2070482065 DPDDKWRQCCKCKN-RGKFVRLKSA-N 445.535 5.200 30 10 IKEE Cc1ccc([C@H](C2CC2)n2nc(C3CCC3)c(C#N)c2I)cc1F 2079127615 RHHYGXZXBQQQEE-SFHVURJKSA-N 435.284 5.074 30 10 IKEE Cc1ccc([C@H](C2CC2)n2nc(C3CCC3)c(C#N)c2I)cc1C 2079127929 WXVLNRYWNOPHOB-IBGZPJMESA-N 431.321 5.243 30 10 IKEE COc1ccc([C@@H](C2CCC2)n2nc(C(C)(C)C)c(C=NO)c2Br)cc1F 2080117600 HRFTYPLMFGMXSW-QGZVFWFLSA-N 438.341 5.288 30 10 IKEE CC[C@H](c1ccc(OC(C)C)cc1)n1nc(C2CCC2)c(C#N)c1I 2080119302 IXFQHQAGXVGMFQ-GOSISDBHSA-N 449.336 5.413 30 10 IKEE N#Cc1c(C2CCCCC2)nn(Cc2cc(Br)ccc2F)c1Br 2080303884 MMDVWJLJINDVHK-UHFFFAOYSA-N 441.142 5.515 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NC)c1ccc(-c2cccc(Br)c2)s1 2107918696 WBVQUMIFLMDALQ-JOCHJYFZSA-N 428.395 6.211 30 10 IKEE N#Cc1ccc(Br)cc1NCc1ccc(I)c(Cl)c1 2143019663 YSKXWMJEDFJGKR-UHFFFAOYSA-N 447.501 5.191 30 10 IKEE C=CCN(CC[C@H](NCCC)c1cc(C)cc(Br)c1F)C(=O)OC(C)(C)C 2155521521 PNXZKVGSAQUHNB-SFHVURJKSA-N 443.401 5.751 30 10 IKEE CC(C)(C)OC(=O)NCc1ccc(CNc2cc(Br)cc(C#N)c2)c(F)c1 2162386496 CKQKECAQJPEYPY-UHFFFAOYSA-N 434.309 5.097 30 10 IKEE CN(C(=O)OC(C)(C)C)[C@@H](CNc1ccc(C#N)c(Br)c1)c1ccccc1 2175022030 GAEWOQWJVSFPLS-IBGZPJMESA-N 430.346 5.341 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCCCN2c2ccc(Br)cc2C#N)CC1 2178252112 IANRCJCKWVJCBR-UHFFFAOYSA-N 434.378 5.081 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1sc(C)c(C)c1Br 2221817354 GGCJLYUWOYJAHO-HOCLYGCPSA-N 431.440 5.638 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1cccc2c1OCO2 2233875150 WHKNVDDHYJDUJY-MRXNPFEDSA-N 431.286 5.184 30 10 IKEE CN[C@H](CC#CC1CCCC1)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2261106897 KYXKSGQUVIWZDG-SHQCIBLASA-N 440.628 5.002 30 10 IKEE C=CCCC1([C@H](NC)c2cccc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2266301750 LYBFCFLANLIORM-QGZVFWFLSA-N 427.358 5.052 30 10 IKEE CC(C)(C)OC(=O)NCc1cc(F)ccc1Nc1ccc(C#N)c(Br)c1F 2283842336 DAWAGAYTOUXZLC-UHFFFAOYSA-N 438.272 5.367 30 10 IKEE C=C(C)CCCC[C@H](NC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2287381648 ZGCVRFIECFQYJX-PMACEKPBSA-N 439.438 5.609 30 10 IKEE CCCCN1C(=O)C(=C2Sc3ccccc3N2C)SC1=Nc1ccc(C)c(Cl)c1 2295196163 ZHCNZOBNBHQEMC-UHFFFAOYSA-N 444.025 6.423 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)CCN(C(=O)OC(C)(C)C)C(C)C 2296218718 HAMKHDDGOJGLFY-HXUWFJFHSA-N 437.422 5.204 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@H](C(C)C)N(C)C(=O)OC(C)(C)C 2296289203 PCXNJZKNCUPUHR-UXHICEINSA-N 437.422 5.060 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3F)cc2C=NNC(=S)Nc2ccccc2)cc1 2296407503 JMMDYGOKQMLIDW-UHFFFAOYSA-N 445.523 5.008 30 10 IKEE CCOC1=CC(=C2C=CC(=O)C(OC)=C2)C=C(Nc2ccc(C)cc2C)c2c(C)oc(C)c21 2297468935 ZUNDXZAHVYGHAC-UHFFFAOYSA-N 443.543 6.323 30 10 IKEE Cn1cccc1C=C1SC(=Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C1=O 2314600094 DUYSCDJGEZLWET-UHFFFAOYSA-N 428.344 6.141 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Nc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)cc1 2317213670 JBBMZJNVCPXLHT-UHFFFAOYSA-N 445.756 5.125 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(F)cc1)O3)CN(CCc1ccc(Cl)cc1)CO2 2321935519 UEUMWVIRJDXURJ-UHFFFAOYSA-N 449.909 5.798 30 10 IKEE Cc1ccccc1CCc1nnc(S)n1N=Cc1cccc(OCc2ccccc2)c1 2321993845 XDUQUNPYLCNSBW-UHFFFAOYSA-N 428.561 5.122 30 10 IKEE COc1ccccc1C(=O)C=Cc1cccc(OC)c1OCC(=O)Nc1ccc(C)c(C)c1 2322485512 RCCLWOJXGWBBHV-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc(C(C)C)cc1 2322737826 YAPITCMXKVVAKQ-UHFFFAOYSA-N 441.999 6.387 30 10 IKEE CCOc1c(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc(Br)cc1OC 2322801320 VONZSXVGXVMLRT-UHFFFAOYSA-N 447.369 6.193 30 10 IKEE O=C(C=Cc1cc(Br)ccc1OCCO)c1ccc(Oc2ccccc2)cc1 2322807017 HQZLYUZWBAPJIC-UHFFFAOYSA-N 439.305 5.509 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OCc1cccc(F)c1 2323433551 RMCKMLNHEVHGOH-UHFFFAOYSA-N 430.519 6.578 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)C=Cc4ccc(C(C)C)cc4)cc(C)c3C2=O)c1 2323503734 AWXIZFXBWXQWQX-UHFFFAOYSA-N 438.523 6.662 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc3C2=O)cc1 2323532775 QTXZWNDQZHDTCS-UHFFFAOYSA-N 434.875 5.503 30 10 IKEE COc1ccc(C=NNc2nc(-c3cccs3)c(C)s2)cc1OCc1ccc(C)cc1 2323839845 HAXBELAYBIJEJA-UHFFFAOYSA-N 449.601 6.522 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Cl)c1OCC(=O)OCC(C)C 2323960236 PVZJSBOABCQANM-UHFFFAOYSA-N 434.891 5.270 30 10 IKEE CCCOC(=O)COc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 2324066253 QWAAPXVWIMNCSS-UHFFFAOYSA-N 425.481 5.120 30 10 IKEE Cc1cc(OCC(=O)OCc2ccccc2)cc2c1C(=O)C(=CC=Cc1ccccc1)O2 2324234260 OYWBAUHNQRGWIA-UHFFFAOYSA-N 426.468 5.290 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc(OC)c1OCCCO 2324288269 OADPWIPPGKNMDF-UHFFFAOYSA-N 444.527 5.873 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccccc2Cl)C3=O)cc1 2324380757 NRHKYZLLMUCLGM-KRWDZBQOSA-N 447.918 5.979 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OCC(=O)Nc1cc(C)ccc1C 2324456211 UWAALZWWRJOOOS-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2cccc(F)c2)C3=O)c(C)c1 2324494669 TVUGDTRWLYEMTA-GOSISDBHSA-N 445.490 5.773 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(Cl)c2)ccc1OCc1cccc(C)c1 2324623371 LINTUKOCWLQOII-UHFFFAOYSA-N 436.935 6.531 30 10 IKEE CCCN(CCC)C(=O)COc1cc(C)c2c(c1)OC(=Cc1ccccc1Cl)C2=O 2325198360 SXIOTJVNUMOFQI-UHFFFAOYSA-N 427.928 5.292 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccc(Cl)cc2)cc1 2325471136 RDQCXJMOLAPOQQ-UHFFFAOYSA-N 432.980 6.005 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(OCC)cc1 2325564632 IJGCGMCKEXFNJQ-UHFFFAOYSA-N 430.577 5.957 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2cccs2)C3=O)cc1 2325621787 QACOKMDOWAMOHE-INIZCTEOSA-N 447.556 6.204 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1cccc(C=CC(=O)c2ccc(F)cc2F)c1 2325726032 UUAHKIQLTDDVPF-UHFFFAOYSA-N 438.426 5.244 30 10 IKEE COc1cc(C(=O)C=Cc2cccc(OC(=O)c3sccc3C)c2)c(OC)cc1Cl 2325759022 XALMLODMCBBNIS-UHFFFAOYSA-N 442.920 5.842 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)CCOc3ccccc3)c2)cc1Cl 2325769309 NUVBRZDNMLXGCZ-UHFFFAOYSA-N 436.891 5.619 30 10 IKEE CCSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1cccc(Cl)c1 2325908987 BFURDZUGYKZPGU-UHFFFAOYSA-N 441.771 5.812 30 10 IKEE CCCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccccc1Cl 2326141922 CFFSBGFGTLMBDW-UHFFFAOYSA-N 449.407 6.165 30 10 IKEE CCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1c(F)cccc1Cl 2326324025 FJIJBTSHJQCABL-UHFFFAOYSA-N 430.980 6.105 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1cccc(C(F)(F)F)c1 2326417917 SAKXMGIYTIAGKI-UHFFFAOYSA-N 446.542 6.431 30 10 IKEE CCc1nnc(SCc2ccc(Br)cc2)n1N=Cc1c[nH]c2ccccc12 2326619085 CWUWDYTYVXBGHD-UHFFFAOYSA-N 440.370 5.259 30 10 IKEE Cc1nnc(SCc2cccc3ccccc23)n1N=Cc1cc(Cl)c(O)c(Cl)c1 2326637315 CBTQPNCPVSZICQ-UHFFFAOYSA-N 443.359 5.927 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(OC(C)C)cc1 2326639569 RGWYJBZARKTOCM-UHFFFAOYSA-N 444.604 6.346 30 10 IKEE Cc1cccc(OCCCc2nnc(SCc3ccccc3C)n2N=Cc2ccc[nH]2)c1 2326966844 GEVASADKHPELOC-UHFFFAOYSA-N 445.592 5.409 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2Cl)n1N=Cc1cccc(OC)c1 2327951084 FYRSJBYGQQSVLM-UHFFFAOYSA-N 426.973 5.276 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2N=Cc2ccccc2)cc1C 2329454821 CRSLXOHVSQDFIW-UHFFFAOYSA-N 447.007 6.314 30 10 IKEE CCc1ccc(C=Nn2c(SCc3ccccc3C)nnc2[C@@H](C)c2ccccc2)cc1 2330057346 LWRQVFIYQFUILR-NRFANRHFSA-N 440.616 6.475 30 10 IKEE COc1ccc(OC)c(C=Nn2c(SCc3ccc(F)cc3)nnc2-c2ccccc2)c1 2330640178 QVOGSHKSCSWQPO-UHFFFAOYSA-N 448.523 5.276 30 10 IKEE CCOc1cc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccc(C)cc2)ccc1O 2330802210 LSDLMASOFZSUCF-UHFFFAOYSA-N 438.597 5.454 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(Cl)cc1 2330854527 CDNRHCYAZNQROL-UHFFFAOYSA-N 433.408 6.348 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Br)c(OC(=O)C(C)C)c(OC)c2)cc1C 2330873380 KQFVDBUXFBXBDP-UHFFFAOYSA-N 447.325 5.232 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccccc3Cl)cc2OC)cc1 2330949420 OKZUMWACNATQAD-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE Clc1ccc(C=Nn2c(SCc3ccccc3)nnc2[C@H]2CCCO2)c(Cl)c1 2330959168 QVBUSSMBTBGEOX-GOSISDBHSA-N 433.364 5.611 30 10 IKEE CCCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccc(OC)cc2)cc1OCC 2330980057 IVZDKIIBTOFLIM-UHFFFAOYSA-N 447.325 5.458 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1)c1ccc(-n2cccc2)cc1 2331084544 YNTDSEZDKZXWBF-UHFFFAOYSA-N 429.422 5.871 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OC(=O)Cc1ccc(F)c(C)c1 2331106124 HYQQFXRTAOTDKY-UHFFFAOYSA-N 440.417 5.465 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(CC)cc1 2331154690 JAZGXZULWIVBTL-UHFFFAOYSA-N 434.919 6.416 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(-c2ccco2)n1N=Cc1ccncc1 2331215913 SJVKTNWQPKYBJG-UHFFFAOYSA-N 430.320 5.414 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)Cc1ccccc1 2331328765 JKYGOEQDYVMXEK-UHFFFAOYSA-N 440.539 6.085 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)cc2)ccc1F 2331333076 UKNLXAXCGLEBDH-FCHUYYIVSA-N 434.894 6.393 30 10 IKEE O=C(Cc1cccs1)Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1[N+](=O)[O-] 2331473821 GFCPTLXUTHARFG-UHFFFAOYSA-N 443.480 5.854 30 10 IKEE CCCSc1nnc(C2CCC2)n1N=Cc1ccccc1OCc1ccccc1Cl 2331533367 PCAIOMNVTSXACF-UHFFFAOYSA-N 441.000 6.162 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)c1ccncc1 2331562821 IJEAZWPWWPXKQQ-UHFFFAOYSA-N 443.833 5.527 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3C)c(Cl)c2)cc1Cl 2331818825 DSZXLAUWLQVLGN-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)CC3CCCCC3)c(Cl)c2)cc1C 2331841006 ULWVFBQPDWTMAZ-UHFFFAOYSA-N 440.967 6.737 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)[C@@H]1CCCO1 2331863758 BHPGXHMYUVTZKZ-FQEVSTJZSA-N 435.303 5.373 30 10 IKEE O=C(O)CO[C@H](C#CC1CC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2337501645 WEYMPHNTAXEHQZ-RUZDIDTESA-N 442.511 5.400 30 10 IKEE CC1(C)OB(/C=C/c2ccc(Oc3ccc(Br)c(Cl)c3)nc2)OC1(C)C 2365100540 DJSNGLOTLWSYKR-MDZDMXLPSA-N 436.542 5.934 30 10 IKEE CCCCCCCN[C@](C)(C(=O)O)c1cc(Br)c(Br)s1 2375623957 DSBAFTWAUUDBHY-AWEZNQCLSA-N 427.202 5.133 30 10 IKEE C=CCn1c(SCC(=O)N(CCC)CCC)nc2scc(-c3ccccc3)c2c1=O 9041604 HYQNPDMYGUNVIB-UHFFFAOYSA-N 441.622 5.052 30 10 IKEE COc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccccc1Cl 20881652 IPQYAYJNVQCYNL-DXPJPUQTSA-N 430.935 6.328 30 10 IKEE CC(C)COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 21260590 XBLRCKXUCVUEMN-XUZZJYLKSA-N 445.603 6.023 30 10 IKEE COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccc(C)cc2)cc1OC 28052515 HUMNHWCCBPONDM-UUOWRZLLSA-N 430.504 5.267 30 10 IKEE COc1ccccc1C(=O)Oc1cccc(/C=C\C(=O)c2ccc(-c3ccccc3)cc2)c1 34954574 VTQKHHIJLZPCFS-RGEXLXHISA-N 434.491 6.478 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCCC)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 40101473 CJZCMSQKSRFHIB-DEOSSOPVSA-N 449.591 6.151 30 10 IKEE Cc1cc(/C=N/c2ccc(Cl)c(Cl)c2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 59679579 AVIFRPZAIJRAFU-YSURURNPSA-N 431.275 5.548 30 10 IKEE CCCCN(CCCC)CN1C(=O)/C(=C/C=C/c2ccccc2)S/C1=N/c1ccccc1 83329478 VZCYVBBKKJLBOR-FJUIVNERSA-N 447.648 6.707 30 10 IKEE CCc1sc2ncnc(SCc3cccc(C#N)c3)c2c1-c1ccc(C(C)C)cc1 96536224 JAQONXHYMMICPG-UHFFFAOYSA-N 429.614 7.208 30 10 IKEE CCCCCCCCCCCCCCCCNCc1ccc(OC[C@@H]2CCCO2)cc1 100023724 ZSNAKUDQNIKKAS-NDEPHWFRSA-N 431.705 7.815 30 10 IKEE Cc1ccc(N2C(=O)/C(=C3\Sc4ccccc4N3C)S/C2=N/C2CCCCC2)cc1 100267088 ORCVMQIXEABWQC-PSBCSISTSA-N 435.618 6.175 30 10 IKEE Cc1ccc(SC2=C/C(=N/S(=O)(=O)c3ccc(C)cc3C)c3ccccc3C2=O)cc1 103746830 KNMWUNAGRZAPMY-ROMGYVFFSA-N 447.581 5.662 30 10 IKEE CCOC1=CC([N+](=O)[O-])=C/C(=C\Nc2ccc3oc(-c4ccc(CC)cc4)nc3c2)C1=O 136008301 GHRMTCKPRHHFKI-SAPNQHFASA-N 431.448 5.017 30 10 IKEE CCOc1cc(/C=N\Nc2nc3cc(C)ccc3[nH]2)ccc1OCc1cc(C)ccc1C 169893424 WSZSHAJIVKUCJM-DICXZTSXSA-N 428.536 5.912 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccc3c(c2)OCO3)c1 169967979 YESICFMXKCHCCV-JOCHJYFZSA-N 447.874 5.160 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(OC(C)C)c2)c1 169981477 AWNXAISCYCKVTK-QHCPKHFHSA-N 435.520 5.003 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1c[nH]c2ccccc12)c1cc2ccccc2o1 170077078 KQMUQQRUAGTKFW-XMMPIXPASA-N 449.466 5.088 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2c[nH]c3ccccc23)cc1C 170078243 NLXMXIFBTPAHAN-DEOSSOPVSA-N 428.532 5.696 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@@H]1c1ccccn1 170172629 ANPUYYTYNADVMC-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccccc2)cc1C 170228285 CPCVNKIBAPFJOO-RUZDIDTESA-N 441.527 5.712 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccccc1 170230338 XCWQTJLIOFPGQD-QHCPKHFHSA-N 445.515 5.364 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccccc1)c1ccc2c(c1)CCCC2 170234242 FSYHPSYAGMRVGP-RUZDIDTESA-N 441.502 5.483 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(Cl)cc2)cc1 170237063 GTDJTBUTEVSOCQ-JOCHJYFZSA-N 439.939 5.650 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(F)cc2)c1 170238154 TUXDWLOAMBHPHJ-HSZRJFAPSA-N 449.453 5.537 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(O)c2)cc1C(C)C 170264223 HBSNMWWQSFTEHK-XMMPIXPASA-N 449.547 5.354 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2Cc2ccco2)o1 170307085 WVDRIAQWCHRSIV-JOCHJYFZSA-N 433.504 5.565 30 10 IKEE CC(C)(C)Oc1ccc(CN2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2ccc(O)cc2)cc1 170447974 BHVHAJXHJJOJIG-NRFANRHFSA-N 437.536 5.080 30 10 IKEE CCC/N=C1/SC(=NN=Cc2ccccc2O)N(c2ccc(F)cc2)/C1=N/CCC 252611530 IKJDNYYQMRVVCM-PHIBCWPVSA-N 425.533 5.092 30 10 IKEE CCC1(CC)CSC(=Nc2c(Br)cc(Cl)cc2Br)N1 387604142 MZJBSZGHTDZFJJ-UHFFFAOYSA-N 426.605 5.748 30 10 IKEE CCOc1ccc([C@@H]2C(c3ccc(OC)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526604212 KTQTZAFVKFODDH-XMMPIXPASA-N 426.472 5.023 30 10 IKEE CC(C)Oc1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526607013 LSSLREAFBWHIRU-DEOSSOPVSA-N 428.463 5.542 30 10 IKEE COc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccccc2)c(OC)c1 526801249 HJOMXOSUDINTQX-ONUIUJJFSA-N 444.560 5.061 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1ccc(Cl)cc1Cl 526809554 NSOJKEDERPMQOE-MSXFZWOLSA-N 433.408 6.329 30 10 IKEE CCOc1ccccc1/C=N\n1c(CC)nnc1SCc1ccc(Cl)c(Cl)c1 526814103 FXBCSDBMNBEZHT-FMCGGJTJSA-N 435.380 5.721 30 10 IKEE CCCOc1c(/C=N\n2c(CCC)nnc2SCc2ccc(C#N)cc2)cccc1OC 526821960 CFOSDPZKWAPKIP-QQXSKIMKSA-N 449.580 5.074 30 10 IKEE N#Cc1cccc(CN(c2ccc(Oc3ccccc3)cc2)S(=O)(=O)c2cccs2)c1 586222114 ALORKHCJFKNNQV-UHFFFAOYSA-N 446.553 5.808 30 10 IKEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 586709704 AVNWMIXNOOVYPT-UHFFFAOYSA-N 441.531 5.724 30 10 IKEE N#Cc1cccc(NC(=O)Nc2cccc(C(=O)Nc3cccc(Br)c3)c2)c1 586729510 QQEDQSNAMSGHAJ-UHFFFAOYSA-N 435.281 5.217 30 10 IKEE CSc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)cc1 698456286 NAXJVZKRSHWNTM-GOSISDBHSA-N 433.371 6.177 30 10 IKEE CCCCCCCCCC[C@@H](O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 702385015 RVLDOJLGYWUOOI-SHQCIBLASA-N 446.676 6.048 30 10 IKEE CCCCCCCCC[C@H](NC)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 702451406 UJEDKRAWQNHCMJ-BJKOFHAPSA-N 433.681 5.740 30 10 IKEE C/N=C1\S/C(=C/c2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)N1C 1083886552 KDAUBMHQGSRBQR-RSQFKHFRSA-N 444.387 5.837 30 10 IKEE C=CCOC(=O)/C=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1 1083942062 OCKRZJOSCKBTJX-YVMONPNESA-N 425.681 5.563 30 10 IKEE N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(C=Nc2c(-c3ccco3)nc3ccccn23)cc1 1084559432 UQPFFKAGTYHTCU-UHFFFAOYSA-N 449.426 5.917 30 10 IKEE CC(C)[C@@H]1CC[C@@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]34C)[C@@H]12 1307332479 FULWGFMPSBYUOW-LIWUMPQWSA-N 442.728 7.284 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2)SC(=Nc2ccncc2Cl)N1C1CCCCC1 1772733862 BHXUXQMUBJBVEW-OSZNWEDFSA-N 432.376 6.325 30 10 IKEE CC(C)(C)c1ccc(C=NN=C2NC(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S2)cc1 1772742263 JLQIBYINZNTETO-SFHVURJKSA-N 434.392 5.455 30 10 IKEE COc1ccc(NC(=S)N/N=C\c2cn(-c3cccc(C)c3)nc2-c2ccccc2)cc1 1857809714 VRHIHXWWWKVXTQ-QQXSKIMKSA-N 441.560 5.177 30 10 IKEE CN1C(=O)Cc2cc(C(=O)Nc3oc(-c4ccccc4)c(-c4ccccc4)c3C#N)ccc21 1859743704 DXOUKBLSAINRLD-UHFFFAOYSA-N 433.467 5.256 30 10 IKEE Cc1cccc(C)c1OCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(C#N)c2)c1 1860452499 KURXVYYBEWLLCR-UHFFFAOYSA-N 433.895 5.098 30 10 IKEE CCCOc1ccc(/C=C/C(=O)C(=O)N(Cc2ccccc2)c2ccccc2)cc1OCC 1860637452 WPJIWNUVKFBIIQ-BMRADRMJSA-N 443.543 5.690 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)c1cccn(CC(C)C)c1=O 1861285361 YSIDSUZHAJSBBP-QHCPKHFHSA-N 447.664 5.050 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)COc1ccc(CCC)cc1 1861656752 NFKQZLVAJLBYRI-AREMUKBSSA-N 432.649 5.560 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2cccc(Cl)c2)n(-c2cccc3ccccc23)n1 1862340852 UCXQODBQBJBCMN-UHFFFAOYSA-N 427.935 6.160 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(F)c1 1862444998 LTNGJBVHPWAMAW-NRFANRHFSA-N 445.918 5.264 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@@H]1c1ccccc1)c1c(F)cc(F)cc1F 1862456512 TUAPIXVKOBQKMZ-JOCHJYFZSA-N 443.465 5.795 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccc(Cl)cc2)c1 1862473428 BHXVOVXEQBCZQD-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cccc(F)c1 1862501460 CTARAKQBGXDURM-NFBKMPQASA-N 441.518 6.210 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc(Cl)cc2)cc1 1862536396 XGYREZPEXYBOGB-FQQGMQMYSA-N 437.967 6.059 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(OC(C)C)c(OC)c1 1862541883 VMAPQVUJBYXJFA-QHCPKHFHSA-N 437.536 5.033 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(F)cc1F)c1ccc2c(c1)CCCC2 1862545841 JZYJBZSTBHRAEO-QHCPKHFHSA-N 437.486 5.365 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(O)cc1 1862650540 YDLKUQJKSOIUMX-WQWSHVPRSA-N 441.527 5.702 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CC)cc1OC 1862685164 PMXBVOCYEHULOG-JOCHJYFZSA-N 441.499 5.002 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccccc1Cl 1862700080 ALIVIJAZURUUTM-NRFANRHFSA-N 427.928 5.507 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N1[C@H]2CCCC[C@@H]2[C@H]2CCCC[C@H]21 1866342527 OIEVPQUPYILDBG-OLQMUTRHSA-N 445.776 9.208 30 10 IKEE C=CCN(CC=C)c1cc(N2C[C@@H](C)Cc3cc(OC)ccc32)nc(-c2ccc(C)cc2)n1 1869167639 ZCDNHWSFZQIHFL-NRFANRHFSA-N 440.591 5.969 30 10 IKEE CC(C)Oc1ccc(/C=C(/C(=O)Nc2c(C#N)nnn2-c2ccccc2)c2ccccc2)cc1 1870140993 URFSRXKOAUFXIM-JJIBRWJFSA-N 449.514 5.105 30 10 IKEE CCCCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CN1CCN(C)CC1 1870353146 RBJPZMDQGACWHV-UHFFFAOYSA-N 433.681 5.161 30 10 IKEE CCCCCCCOc1cn(CCCC)c(CNc2ccc(N(CC)CC)cc2)cc1=O 1870830185 HGAQQGYXKXXMOK-UHFFFAOYSA-N 441.660 6.456 30 10 IKEE CCCCCCCOc1cn(CCCOCC)c(CNc2cccc(OC)c2)cc1=O 1870830668 VQUGBXWLRRAKCL-UHFFFAOYSA-N 430.589 5.245 30 10 IKEE Cc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2Cc2ccco2)c(C)c1 1871253928 LQBXPIUBIQZYPH-UHFFFAOYSA-N 439.515 5.169 30 10 IKEE C=CCOc1ccc(C(=O)Nc2ccc3c(=O)cc(-c4ccccc4OC)oc3c2)cc1 1871359238 WXUKVBQBSFLZRI-UHFFFAOYSA-N 427.456 5.286 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc(OC(=O)Cc3ccc(F)cc3)c2C)C1=O 1871371824 LHXFDFSRUHMCBU-HAHDFKILSA-N 432.447 5.297 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(=O)c(-c4ccccc4OC)coc3c2)c1 1871388840 MERJANZPMDZFBU-UHFFFAOYSA-N 428.440 5.253 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871406959 KNSNLZVUSDTAIT-YOBACFSGSA-N 433.891 5.671 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccccc2F)C3=O)c(C)c1 1871414989 ZPGDPZWZKRXLQY-SMNNTEATSA-N 445.490 5.773 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc(OCC(=O)N[C@@H](C)c3ccccc3)c2C)C1=O 1871424587 ONRWQSHHIIGIRX-WBRURWICSA-N 433.529 5.237 30 10 IKEE CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1)O/C(=C\c1ccccc1OC(F)F)C2=O 1871433047 KCLPHKXXYZKYKZ-SYERDGIWSA-N 432.419 5.015 30 10 IKEE Cc1cc(OCc2ccc(C(=O)OC(C)C)o2)cc2c1C(=O)/C(=C/c1cccc(F)c1)O2 1871439187 MODBVDUYLBZSCM-JJFYIABZSA-N 436.435 5.488 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)c1 1871456078 LCASIPFONLIPJG-MYYYXRDXSA-N 441.527 5.926 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1cccs1 1872447196 XNLULQVQCUUNNY-NRFANRHFSA-N 448.654 5.636 30 10 IKEE COc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1OC 1872760133 HZRUBZKLAHEYBU-FQEVSTJZSA-N 428.513 5.399 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccc(Cl)cc3)n2)cc1 1872765638 TTWWUXKESBZQBU-KKSFZXQISA-N 438.980 6.450 30 10 IKEE COc1ccccc1-c1csc([C@H](C#N)C(=O)COc2ccc(Cl)cc2Cl)n1 1872766426 GJYKPTLIKSAAIS-CQSZACIVSA-N 433.316 5.381 30 10 IKEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)c(C)c1 1872769014 HFHDFZDOEQDPNT-KRWDZBQOSA-N 436.449 5.042 30 10 IKEE CC(C)c1ccc(O[C@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 1872773509 PFKVWHRMDFMYEG-BEFAXECRSA-N 434.517 5.306 30 10 IKEE CCCCCCCCCCNC(=O)c1cccc(COc2ccc(CC(C)(C)C)cc2)c1 1872845173 KRLYKBWVDDYSRK-UHFFFAOYSA-N 437.668 7.725 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCCC)=C(c2ccccc2Br)C1=O 1873069152 UZKQIMWDKDNHCY-UHFFFAOYSA-N 449.433 5.669 30 10 IKEE CCCCCCCCCCNC1=C(c2c(C)cc(C)cc2C)C(=O)N(CCCOC)C1=O 1873119506 BCWYSLNLPRTSOR-UHFFFAOYSA-N 442.644 5.459 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCCCC)=C(c2ccc(OC(C)C)cc2)C1=O 1873146587 RTCXMHBANLMQDG-UHFFFAOYSA-N 442.644 6.084 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)n2CC(C)C 1873612700 JDYSVICBLNUVDN-UHFFFAOYSA-N 433.600 6.184 30 10 IKEE CCCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1cccc(OC)c1 1874217696 HLYGIZDPGAURQT-ZMOGYAJESA-N 444.988 5.520 30 10 IKEE Clc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccncc2)cc1 1874265054 JXCQKUIMHOGCIT-AFUMVMLFSA-N 435.940 5.080 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc(C(C)C)cc1 1874278853 GSDGABGGLUTMOB-CVKSISIWSA-N 439.028 6.391 30 10 IKEE COc1ccccc1OCc1nnc(SCCc2ccccc2)n1/N=C/c1ccccc1 1874291557 VUYPVMYENKXQAF-NLRVBDNBSA-N 444.560 5.083 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2ccccc2F)n1/N=C/c1cccnc1 1874300198 BYVRNMOITAZRDK-MZJWZYIUSA-N 447.539 5.183 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccc(C)cc3C)n2/N=C/c2ccncc2)cc1 1874325536 UHZQFSQOALHEBG-JFLMPSFJSA-N 443.576 5.352 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccc(C)c(C)c3)n2/N=C/c2cccs2)cc1 1874329056 UDCJZLRMKZWTPV-WGOQTCKBSA-N 446.645 6.225 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874358094 OHIOOFMOUZVMKO-BRJLIKDPSA-N 445.419 6.343 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3ccccc3)nnc2[C@H](C)c2ccccc2)c1 1874395477 NNVJIORBLBUJNJ-QZCBGFPPSA-N 442.588 6.003 30 10 IKEE CSc1nnc(CC(C)(C)C)n1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1874435342 AKEWLHWOTRFYQM-WPWMEQJKSA-N 444.604 6.203 30 10 IKEE CC(C)(C)Cc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1ccccc1Cl 1874436886 UQRNXNSUPZCAMX-ZVHZXABRSA-N 441.988 5.133 30 10 IKEE CC(C)Cc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccccc1[N+](=O)[O-] 1874490669 CXBBAWNIRBRCBA-MFKUBSTISA-N 445.548 5.713 30 10 IKEE Fc1cccc(CSc2nnc(C3CCC3)n2/N=C/c2c(Cl)cccc2Cl)c1 1874494714 VWADFQFOHAWGIL-BHGWPJFGSA-N 435.355 6.166 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1/N=C/c1c(OC)ccc2ccccc12 1874503514 LSLFFYPXURWZER-WGOQTCKBSA-N 430.577 5.875 30 10 IKEE C=C(C)CSc1nnc(C2CC2)n1/N=C/c1ccc(OCCCCC)c(OCC)c1 1874519390 QGAWMLPFHHTPIV-BUVRLJJBSA-N 428.602 5.674 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(S)nnc2C2CCC(CCCC)CC2)cc1 1874563548 IVSPRNAYFPCXEH-XIEYBQDHSA-N 428.646 6.482 30 10 IKEE Sc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1c(Cl)cccc1Cl 1874570379 SDFFFUAEPDXMMW-SSDVNMTOSA-N 441.771 5.421 30 10 IKEE CCCOC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1cc(OC)ccc1OC 1874581045 TWLKRHLLDVZXSN-VAWYXSNFSA-N 434.488 5.085 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccccc1OCC(=O)Nc1ccc(C)cc1C 1874581326 IBDQFAGRPRIQKV-ACCUITESSA-N 429.516 5.534 30 10 IKEE Cc1ccc(NC(=O)COc2ccccc2/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1 1874587177 ZDGVDQAWJCVVLA-NTCAYCPXSA-N 427.544 6.142 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)ccc1OCc1cccc2ccccc12 1874605595 WADLHAJONAKRJA-JQIJEIRASA-N 438.523 6.722 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc(Cl)c1OCC(=O)OC 1874615741 OJQSBFIOZMXYHJ-QPJJXVBHSA-N 443.710 5.493 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2OC)cc(OC)c1OCc1cccc(C)c1 1874619740 PWXPLWPAKNEXHJ-OUKQBFOZSA-N 442.555 6.524 30 10 IKEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1Cl 1874622595 LEKVOVYJUFEKHS-RIYZIHGNSA-N 427.972 5.781 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCc3nc(O)c4ccccc4n3)c(Cl)c2)cc1C 1874631836 XAOMCTYWTZDOQX-DHZHZOJOSA-N 444.918 6.081 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)ccc1OCc1ccc(F)cc1 1874634355 XVMLPKFTBNHFNR-UXBLZVDNSA-N 440.898 6.280 30 10 IKEE CCCOc1c(Br)cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1OC 1874635679 SOESMVRELQGUMZ-PKNBQFBNSA-N 445.397 6.749 30 10 IKEE CCCCCCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@@H](C)C1 1874647534 DEVNTDTWUMNLLO-HYBUGGRVSA-N 425.617 5.204 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCCOc3ccccc3)c2)cc1 1874695826 UOGHKNWQAYCFHJ-LVZFUZTISA-N 442.555 6.690 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OC(=O)Cc1ccc(Cl)cc1 1874697374 UMHLXIDGEPVNRA-XYOKQWHBSA-N 441.310 6.046 30 10 IKEE COc1ccccc1CC(=O)Oc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC 1874703864 LIZBCQQKTKCDMT-ZRDIBKRKSA-N 446.499 5.065 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)cc3F)c(Cl)c2)cc1 1875099936 GKGRBFUXRLDLTI-VZUCSPMQSA-N 440.873 6.225 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1 1875100202 SRRNXGBJRBIFIV-XYOKQWHBSA-N 435.863 5.926 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C(F)(F)F)cc3)cc2)c1 1875102454 IHFJESWHGJLIEF-VGOFMYFVSA-N 426.390 5.829 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)c1sccc1C 1875126287 ZFIMSVWVARUMCR-RUDMXATFSA-N 442.920 5.842 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)cc3)c([N+](=O)[O-])c2)cc1 1875130118 KGIBMRZAQFGAGL-MKMNVTDBSA-N 431.444 5.417 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)CCc1ccccc1C 1875133084 DFDNSHYXUKFHLG-RVDMUPIBSA-N 444.527 5.755 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2)cc1 1875138518 ZQOIBSPIRHQRDP-LFIBNONCSA-N 428.528 6.136 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)c3sccc3C)c(Cl)c2)c1 1875145796 SXUXDEBZWLKIFV-QPJJXVBHSA-N 442.920 5.842 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)c1ccco1 1875156920 OWBRAEKAXMVBOR-KPKJPENVSA-N 438.907 6.570 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)c3ccccc3)c(Cl)c2)c(C)c1C 1875166823 GPGGNGYSZXUVDX-QHSLDKKCSA-N 448.946 6.571 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cc(Cl)c(OC(=O)C(F)(F)F)c(OC)c2)cc1C 1875186625 FOBNEUJVRRTXNC-AATRIKPKSA-N 442.817 5.338 30 10 IKEE C=CCn1c(C(=O)N(CCCC)CCCCCC)cc2c(NC[C@@H]3CCCO3)ncnc21 1875228432 OCOMHRTZIFZXQS-FQEVSTJZSA-N 441.620 5.031 30 10 IKEE CCCC[Sn](CCCC)(CCCC)c1ccc(Cl)c(C#N)c1F 1882338254 ACBOALGQYQQUQZ-UHFFFAOYSA-N 444.610 6.407 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)NCCC 1922064141 CCWAJNLWMYODIC-LADGPHEKSA-N 430.633 5.555 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)[C@H]2CCC[C@@H]21 1926544387 DVNVKSQPHAABGN-JXQFQVJHSA-N 445.535 5.249 30 10 IKEE CN(CCN(Cc1ccccc1)Cc1ccc(Br)cc1C#N)Cc1ccccc1 1932074843 XCFMNNILQAZDID-UHFFFAOYSA-N 448.408 5.455 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1949107957 CUZLDBKCUBUQQM-YLEKAMJDSA-N 447.963 5.373 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)C1(NC(=O)OC(C)(C)C)CCC(CC)CC1 2018520375 ZJHNKIJXLDMZCY-JEPVQIMHSA-N 430.633 5.601 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCC2)C(F)(F)CC1 2020298716 VRQJLLHPHNTWEF-NRFANRHFSA-N 443.535 5.095 30 10 IKEE CCc1cc(Br)c([C@@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)s1 2029268421 SJCRMAKRXAOCMD-OAHLLOKOSA-N 441.416 6.136 30 10 IKEE CC(C)[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)CN1Cc1ccccc1 2029760962 DWMPMXYUCVJTLM-IGKIAQTJSA-N 439.644 6.139 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]1CC(C)(C)CN1C(=O)OC(C)(C)C 2033717046 JEQBRBFQWYXGHC-WOJBJXKFSA-N 443.588 5.664 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCC1)[C@@H](C#N)c1ccc(Cl)c(Br)c1F 2036363518 XVMHMZPYQOETKO-AWEZNQCLSA-N 431.733 5.986 30 10 IKEE Cc1cc(Br)sc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 2039289699 HNFAFZKLLMJOHK-AWEZNQCLSA-N 441.778 6.479 30 10 IKEE Cc1ccc(-n2c(C)cc(C=C(C(=O)c3ccccc3)c3nc4ccccc4[nH]3)c2C)cc1 2040447394 SXIQDAJJHZBHMM-UHFFFAOYSA-N 431.539 6.702 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@]1(C)CCN1C(=O)OC(C)(C)C 2045194310 YKCMDYIDJWPUHG-BJKOFHAPSA-N 445.560 5.118 30 10 IKEE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)[C@@H]2C[C@@H](C(C)(C)C)CC[C@H]2C#N)C1 2055651678 UZMJORCYUXFDNZ-QNWVGRARSA-N 441.616 5.394 30 10 IKEE C=C[C@@]1(Oc2ncc(Br)c3ccsc23)CCN(C(=O)OC(C)(C)C)C1 2078107743 GVCYJYFFZRCARN-GOSISDBHSA-N 425.348 5.003 30 10 IKEE Cc1ccc([C@H](C2CCC2)n2nc(C(C)C)c(/C=N/O)c2I)cc1 2078976623 CIQMOYUIILPDHX-NIQDBXHUSA-N 437.325 5.117 30 10 IKEE Cc1ccc([C@@H](n2nc(C3(C)CC3)c(C#N)c2I)C(C)(C)C)cc1C 2079136997 GOTMVCIPQVQTEU-GOSISDBHSA-N 447.364 5.663 30 10 IKEE CC[C@@H](c1ccc(C(C)C)cc1)n1nc(C2CC2)c(C=NO)c1I 2079938989 XLPIGIQADAKGAA-KRWDZBQOSA-N 437.325 5.296 30 10 IKEE CC1(c2nn([C@H](c3ccc(C(F)(F)F)cc3F)C(C)(C)C)c(Cl)c2C=NO)CC1 2079943892 IQFNJRHBXAHRIS-MRXNPFEDSA-N 431.861 6.190 30 10 IKEE Cc1c(I)cccc1Nc1cc(Br)cc(F)c1C#N 2107447137 JSCTZTXQDYIPDJ-UHFFFAOYSA-N 431.046 5.117 30 10 IKEE CC(C)(C)OC(=O)NCCCN(C[C@H](C#N)C(C)(C)C)c1cccc(Br)c1 2174565141 KJLOZATZKFWKCB-INIZCTEOSA-N 438.410 5.356 30 10 IKEE CCCN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cc(Br)c(C#N)cc1F 2174811751 BWXMWHWPCARYSG-HNNXBMFYSA-N 440.357 5.076 30 10 IKEE CC(C)(C)OC(=O)NCCCCCCCC(=O)Nc1ccc(C#N)cc1Br 2181051859 AUCRNRRPRWCLCL-UHFFFAOYSA-N 438.366 5.125 30 10 IKEE CN[C@H](C#Cc1ccc(Cl)cc1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2212497912 JCRPDLCOSRNEEJ-QHCPKHFHSA-N 426.988 5.497 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@H]1CC2(CCCC2)CCN1C(=O)OC(C)(C)C 2221311920 PIKKRLCZRJWDRA-BJKOFHAPSA-N 442.644 5.697 30 10 IKEE CCCC#C[C@H](NCCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2233756011 XKVJMZGUBLYJCD-VQTJNVASSA-N 437.422 5.057 30 10 IKEE CC1(C)OB(c2cscc2C(=O)N(Cc2ccccc2)C2CCCCC2)OC1(C)C 2247911817 YPCISVXKFWFWFB-UHFFFAOYSA-N 425.403 5.022 30 10 IKEE C=CCCC1([C@@H](N)c2ccc(Br)c(Cl)c2)CN(C(=O)OC(C)(C)C)C1 2255003451 JCAVGDKTFBTZAF-INIZCTEOSA-N 429.786 5.306 30 10 IKEE CC(C)(C)OC(=O)NCc1ccc(Cl)cc1Nc1cc(Br)cnc1C#N 2268672306 RCFDQLMEFKHCEZ-UHFFFAOYSA-N 437.725 5.137 30 10 IKEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)Nc1ccc(OCc2ccccc2)cc1 2282694705 IJPICPSFJDVKOJ-UHFFFAOYSA-N 443.352 5.126 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(Nc2cccc(Br)c2)C[C@@H]1C(F)(F)F 2294637923 WPPVLWIYQIDGJP-RHSMWYFYSA-N 448.283 5.085 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)CC1(NC(=O)OC(C)(C)C)CCC1 2296283813 KLRZRSVOEXNZAI-LJQANCHMSA-N 435.406 5.006 30 10 IKEE C=CCN1C(=O)C(=C2Sc3ccccc3N2CC)SC1=Nc1ccc([N+](=O)[O-])cc1 2297453780 HPFLMCQXCXPFDO-UHFFFAOYSA-N 438.534 5.145 30 10 IKEE CCOC(=O)c1ccc(-c2ccc(C=C3SC(=Nc4ccc(F)cc4)NC3=O)o2)cc1 2313557634 IDJFCKIIJCZREU-UHFFFAOYSA-N 436.464 5.154 30 10 IKEE Cc1ccc(C=C2SC(=Nc3nc(-c4ccccc4)cs3)N(c3ccccc3)C2=O)o1 2314543397 CJTLTYUYQXRKSI-UHFFFAOYSA-N 443.553 6.520 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2)SC(=NN=Cc2ccccc2F)N1Cc1ccco1 2314841137 PFHMQTSZFBNIPY-UHFFFAOYSA-N 439.899 5.579 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(SCc2ccc(Cl)cc2)nnc1C1CC1 2320880331 HIBJWTPPKNVWLH-UHFFFAOYSA-N 426.973 5.771 30 10 IKEE COc1ccc(OC)c(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CC2)c1 2320880706 ZLNZIOGZGFKLNL-UHFFFAOYSA-N 428.945 5.001 30 10 IKEE CN(C)c1ccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CC2)cc1 2320909290 JJJZMGLAAYIIDO-UHFFFAOYSA-N 446.407 5.703 30 10 IKEE Cn1cc(C=C2Oc3c(ccc4c3CN(CCc3ccccc3)CO4)C2=O)c2ccccc21 2321937326 YTDDNYUQTROBFG-UHFFFAOYSA-N 436.511 5.189 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(C(C)(C)C)cc1)C3=O)CN(Cc1ccncc1)CO2 2322312231 XICYIEHKDSLNSZ-UHFFFAOYSA-N 440.543 5.656 30 10 IKEE Cc1ccccc1COc1ccc2ccccc2c1C=CC(=O)c1ccc2c(c1)CCCC2 2322333399 STJDQOJOQYHTKL-UHFFFAOYSA-N 432.563 7.502 30 10 IKEE Cc1cc(OC(=O)c2ccco2)cc2c1C(=O)C(=Cc1ccccc1Br)O2 2322657742 PALPTTGZHGQIJJ-UHFFFAOYSA-N 425.234 5.186 30 10 IKEE O=C(C=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1)c1ccc(F)cc1 2322738286 GOHJIBZPRWNNAT-UHFFFAOYSA-N 445.715 6.717 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OCc3ccccc3F)c2)cc1OCCC 2323118205 HUSPOVAONUSJLY-UHFFFAOYSA-N 448.534 6.878 30 10 IKEE Cc1ccc(NC(=O)COc2cccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 2323193891 MWTOCWSQDXSZHH-UHFFFAOYSA-N 427.544 6.206 30 10 IKEE COc1ccc(CC(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(C)c2)C3=O)cc1OC 2323379113 KHCXPAOEWIVSEO-UHFFFAOYSA-N 444.483 5.085 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)cc(C)c3C2=O)cc1 2323424345 VLKQDTSFSINTRM-UHFFFAOYSA-N 440.495 5.801 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)Oc1ccc2c(c1)OC(=Cc1cccnc1)C2=O 2323665381 MSGAHHMEJJVCFQ-UHFFFAOYSA-N 442.254 5.232 30 10 IKEE CCOc1c(OC)cc(C=NNc2nc(-c3ccc(C)cc3C)cs2)cc1[N+](=O)[O-] 2323870524 GIALFYVXWJHMBN-UHFFFAOYSA-N 426.498 5.188 30 10 IKEE CCCOc1c(OC)cc(C=NNc2nc(-c3ccc(C)c(C)c3)cs2)cc1OC 2323874542 WHLCYCHSIFIJLX-UHFFFAOYSA-N 425.554 5.679 30 10 IKEE CC(C)COC(=O)COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1Br 2324184261 QKMGNIISTQDKMM-UHFFFAOYSA-N 435.289 5.062 30 10 IKEE CC(C)Oc1ccc(C=C(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)c2ccccc2)cc1 2324598806 GSQFGRROCPPHCR-QHCPKHFHSA-N 430.573 6.471 30 10 IKEE COc1ccc(OCCCOc2cc(C)c3c(c2)OC(=Cc2ccccc2OC)C3=O)cc1 2324704070 OBMPLUCGQGZYLH-UHFFFAOYSA-N 446.499 5.476 30 10 IKEE N#Cc1cc(Br)c(NC(=O)C=Cc2ccccc2Cl)c(Br)c1 2325196332 WXLOHPZAYUNRJV-UHFFFAOYSA-N 440.522 5.389 30 10 IKEE C=CCOc1ccccc1C=Nn1c(COc2ccc(C)cc2C)nnc1SCCC 2325424710 SLQFWJTYOZXTRE-UHFFFAOYSA-N 436.581 5.423 30 10 IKEE COc1cccc(C=Nn2c(CCc3ccccc3)nnc2SCc2cccc(C)c2)c1 2325441714 IUSJXKYNBODKDG-UHFFFAOYSA-N 442.588 5.555 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3[nH]c4ccc(C)cc4c3C)c2)cc1C 2325715229 RYOJFGGQVNKITC-UHFFFAOYSA-N 439.511 6.217 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2cc(C)c3c(c2)OC(=CC=Cc2ccccc2)C3=O)c1 2325741065 BUPXPNIXGSHUAC-UHFFFAOYSA-N 439.511 5.802 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OC(=O)Cc1ccccc1Cl 2325750224 KGNKNIQXYQDQPI-UHFFFAOYSA-N 448.946 6.516 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(OCC)cc2)n1N=Cc1sccc1C 2326660875 FAJMZXJIQRWOEN-UHFFFAOYSA-N 428.583 5.176 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccccc1[N+](=O)[O-] 2328056452 TVUCUCUKYOTXDD-UHFFFAOYSA-N 441.944 5.175 30 10 IKEE Cc1ccccc1C=Nn1c(CCc2ccccc2C)nnc1SCc1ccc(F)cc1 2329473350 QGKAJHJZLGAWAW-UHFFFAOYSA-N 444.579 5.994 30 10 IKEE Cc1ccccc1CCc1nnc(SCCc2ccccc2)n1N=Cc1cccc(O)c1 2329489549 ZPTLIAZKJLENMM-UHFFFAOYSA-N 442.588 5.294 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C=Cc1ccc(Cl)cc1 2330389960 HJJTYZCHBCRHJW-DEOSSOPVSA-N 441.015 5.557 30 10 IKEE O=C(COc1ccccc1)Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1[N+](=O)[O-] 2330933947 KBRCZEZXSLRCCR-UHFFFAOYSA-N 437.835 5.129 30 10 IKEE Cc1cccc(C)c1NC(=O)CSc1nnc(C2CCCC2)n1N=Cc1cccs1 2331063753 RLGIEUIXKJCBIL-UHFFFAOYSA-N 439.610 5.227 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)Cc1cccs1 2331115703 RMCPLXNZRFRNTQ-UHFFFAOYSA-N 447.339 6.108 30 10 IKEE FC(F)(F)c1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(Cl)cc1 2331154775 AEYQYNZMLIGFME-UHFFFAOYSA-N 431.270 5.778 30 10 IKEE CCOc1ccc(C(=O)Oc2c(OC)cc(C=CC(=O)c3ccccc3)cc2OC)cc1 2331164306 YXOQFLHSJHZUEH-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)CSc1ccccc1 2331327561 TYSPEPIIMUDHMM-UHFFFAOYSA-N 446.568 6.296 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CCC2)cc1 2331527737 UYYVWMDZLGECHS-UHFFFAOYSA-N 439.028 6.671 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(Cl)cc2)cc1 2331545947 FJLYLZMOTJCEJR-UHFFFAOYSA-N 448.946 6.761 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cc(OC)c(OC(=O)C(C)C)c(OC)c1 2331547697 IWXUMTZYWXQESN-UHFFFAOYSA-N 440.536 5.467 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)C(C)(C)C)c(Cl)c1 2331548646 OKJZBHGXTHAQRP-UHFFFAOYSA-N 428.956 6.494 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1ccccc1 2331653616 KEGCUNXLOYDNPM-UHFFFAOYSA-N 428.528 6.434 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(C(C)C)n1N=Cc1ccccc1Cl 2331675141 XBXNYYVKVPQHMC-UHFFFAOYSA-N 441.988 5.230 30 10 IKEE CC(C)c1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(N(C)C)cc1 2331706417 NXVVYEGQXUBYSG-UHFFFAOYSA-N 429.593 5.795 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1 2331780552 RRQOYQKSIBNNDK-UHFFFAOYSA-N 448.562 7.561 30 10 IKEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CN(Cc2ccccc2)C2(CCCCCC2)C1 2347130175 SKGYGKKQBOBPCM-LJAQVGFWSA-N 446.635 5.887 30 10 IKEE CC1(C)CC=C(B2OC(C)(C)C(C)(C)O2)CN1C(=O)c1cccc(OCc2ccccc2)c1 2362663905 HJCHHQJUMWLABI-UHFFFAOYSA-N 447.384 5.448 30 10 IKEE CC1(C)C[C@@H](CNc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN1Cc1ccccc1 2365103290 LCKQTJWYOPLZSF-QHCPKHFHSA-N 447.432 5.439 30 10 IKEE C=CCCCC[C@H](OCCC(=O)O)c1sc(Cl)cc1I 2366705993 BUNNMQXZMSWZOD-NSHDSACASA-N 428.719 5.285 30 10 IKEE Cc1cc(Br)c(C(=O)N2CC[C@@](C)(B3OC(C)(C)C(C)(C)O3)C2)cc1Cl 2368344335 YPUOHAGTGLTWFZ-LJQANCHMSA-N 442.590 5.109 30 10 IKEE CO[C@@H](C#C[C@H](N)c1ccc(Br)cc1NC(=O)OC(C)(C)C)C1CCCC1 2369594470 RJTZIUHATYEMQZ-HKUYNNGSSA-N 437.378 5.005 30 10 IKEE COc1cccc(C(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)c1 19911193 YULCIGZSUMIFEE-UHFFFAOYSA-N 434.464 5.684 30 10 IKEE CCc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(F)c(Br)c2)cc1 20882125 JEMRPNBVPLZGNG-IAGOWNOFSA-N 442.328 5.155 30 10 IKEE CCc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(Cl)c2)cc1 21226516 VRUSHDVPMDAUNY-DCFHFQCYSA-N 428.963 6.882 30 10 IKEE Cc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(OCc3ccccc3)c2)cc1 21230385 YLMXSTIFAJKWQV-UKILVPOCSA-N 437.539 5.578 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(F)ccc2F)cc1 21239721 QQMCVWVSURYBHU-XGCWNURASA-N 446.497 6.343 30 10 IKEE CCOc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)cc1 21722326 MPPAOJDPMZISDT-VWLOTQADSA-N 443.503 5.891 30 10 IKEE Cc1nn(C)c(C)c1CN/C(=N/C(=O)c1cccc(Cl)c1)Nc1ccc(C(C)C)cc1 32972350 VQHYJTDEIZYCLQ-UHFFFAOYSA-N 437.975 5.212 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)/C=C\c3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 33417059 JGSXFYJLSDWPHZ-ZEZIIQNPSA-N 440.455 5.086 30 10 IKEE C=C(Br)Cn1c([C@H]2CC(=O)N(c3ccccc3Cl)C2)nc2ccccc21 38586997 CDCZBLMCQKZUKR-AWEZNQCLSA-N 430.733 5.119 30 10 IKEE CCOc1ccc(/N=C2/NC(=O)S/C2=C\c2ccc(-c3nc4ccccc4s3)o2)cc1 39794166 UJNCPXYFFDGOCC-MOSHPQCFSA-N 447.541 6.483 30 10 IKEE Cc1ccc2c(Cl)c(C(=O)c3c(C)c(C#N)c(=O)n(Cc4ccccc4)c3O)sc2c1 40523098 VFONQMBZUQOTMI-UHFFFAOYSA-N 448.931 5.190 30 10 IKEE Cc1ccc(C(=O)CSc2nc3c(c(-c4ccccc4Cl)c2C#N)CN(C)CC3)cc1 40570059 QXAQGZGOYSJSDY-UHFFFAOYSA-N 447.991 5.545 30 10 IKEE CCn1cc(/C=C2\Oc3c(ccc(OC(=O)Cc4ccccc4)c3C)C2=O)c2ccccc21 41355747 DXWVSWKJAALZRH-XYGWBWBKSA-N 437.495 5.734 30 10 IKEE CCn1cc(/C=C2\Oc3c(CN4CCCC[C@H]4C)c(O)cc(C)c3C2=O)c2ccccc21 41511548 JCCMWLUTSHQUTA-YNJLWJOVSA-N 430.548 5.666 30 10 IKEE C=CCn1c(SCC(=O)Nc2cccc(OCCCC)c2)nnc1-c1ccc(F)cc1 59795728 QAPVHPKJTZSHEJ-UHFFFAOYSA-N 440.544 5.180 30 10 IKEE O=C(O)Oc1cccc(/C=C2\S/C(=N\Cc3ccccc3)N(C3CCCCC3)C2=O)c1 60311020 YAGLYSNBIHAEMK-YVADOFBFSA-N 436.533 5.549 30 10 IKEE CCN1C/C(=C\c2ccc(OC(F)F)cc2)C(=O)/C(=C/c2ccc(OC(F)F)cc2)C1 97993054 UBEXLYXACHBLMP-JYFOCSDGSA-N 435.417 5.261 30 10 IKEE CCCCCCCCCCCCCCCCNCC(=O)Nc1cccc(OCC(C)C)c1 100055728 FHIBRPUCYIYXEJ-UHFFFAOYSA-N 446.720 7.731 30 10 IKEE CCCCCCCOc1ccc(NCC(=O)Nc2cccc(C(=O)NCCCC)c2)cc1 100077678 UXCFLOHGFMLMDX-UHFFFAOYSA-N 439.600 5.616 30 10 IKEE CCN1/C(=C2\S/C(=N/c3ccccc3)N(c3cccc(C)c3)C2=O)Sc2ccccc21 100201960 MWVVIEWHBGCKQJ-UXKFRGQBSA-N 443.597 6.564 30 10 IKEE Cc1cc(C)c2oc(-c3ccc(C)c(N/C=C4\C=C(Cl)C=C(Cl)C4=O)c3)nc2c1 136528992 LRSHIZSCZCOFIN-LFIBNONCSA-N 425.315 6.544 30 10 IKEE COc1ccc(N/N=C/c2cc(Br)c(OC(C)C)c(Br)c2)cc1 169885527 HZDQRPYVWLLWMZ-KEBDBYFISA-N 442.151 5.453 30 10 IKEE CC(C)(C)c1cc(/C=N\n2c(S)nnc2Cc2ccc(F)cc2)cc(C(C)(C)C)c1O 169913589 SPWRVYXILFNBFV-WGARJPEWSA-N 440.588 5.480 30 10 IKEE CSc1nnc(COc2ccccc2)n1/N=C\c1ccccc1COc1ccccc1 169916418 ZCOGCJPGVIHKBJ-XYGWBWBKSA-N 430.533 5.040 30 10 IKEE CCCN1C(=S)N[C@H](c2ccc(Oc3ccccc3)cc2)C(C(=O)c2ccccc2)=C1C 169928921 HBBBENVAFPSEFU-RUZDIDTESA-N 442.584 6.277 30 10 IKEE CCCCCOc1c(OC)cc(/C=N\Nc2nc(-c3cccs3)cs2)cc1[N+](=O)[O-] 169940355 YRGCJWXNXARYMO-MTJSOVHGSA-N 446.554 5.803 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2ccc(Cl)cc2)c1 169969756 HCIUTYLAIFOYOZ-OAQYLSRUSA-N 448.862 5.340 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cc(Cl)ccc2C)[C@@H]1c1cccs1 169984496 RWDAAUWHLPBVOR-HXUWFJFHSA-N 439.920 5.501 30 10 IKEE CCOc1ccc(C2=C(Sc3ccccc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 169996460 DIAIKXPVBLGOPK-UHFFFAOYSA-N 426.497 5.034 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccncc1 170018624 RBLNYLMIFQRAKX-QFIPXVFZSA-N 443.890 5.308 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(OC(C)C)cc2)[C@H]1c1ccccc1 170053556 XUWXGFOMNCUYMJ-DEOSSOPVSA-N 443.499 5.265 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)ccc4[nH]3)[C@H]2c2ccc(C)o2)c1 170103584 QCCCMBRFDIRRAJ-QFIPXVFZSA-N 441.487 5.172 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccccc1OC(C)C 170151198 BSONSEDQNZEJSD-DEOSSOPVSA-N 433.548 5.341 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2cccs2)cc1C 170154011 VXYOJIVJERHRBT-QFIPXVFZSA-N 449.528 5.247 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@@H]2c2cccs2)cc1 170159727 NQZARMVDIBWXHB-QHCPKHFHSA-N 447.556 5.935 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2cccnc2)ccc1OC(C)C 170184229 SETGUZIMZBYNQQ-HSZRJFAPSA-N 446.478 5.099 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccnc2)cc1C(C)C 170191126 VBMRODCRNVKDHG-DEOSSOPVSA-N 442.515 5.305 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2C2CCCC2)cc1 170268696 UIUZLTBNMFEWMZ-RUZDIDTESA-N 447.575 5.866 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccccc1C 170277377 GEGBQIDFHXZWHE-HXUWFJFHSA-N 442.353 5.526 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccco1)c1cccc2ccccc12 170296095 YGFHFELLKWRXKI-HSZRJFAPSA-N 427.431 5.350 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C)o2)cc1C(C)C 170307009 DSTNLXUKKIGRFG-QFIPXVFZSA-N 435.476 5.092 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Br)c2)[C@@H]1c1ccccc1)c1cccs1 170373259 UYERQOUOFZVGQY-GOSISDBHSA-N 440.318 5.294 30 10 IKEE COc1ccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cc(Cl)ccc2C)cc1OC 170434439 QEJNUQNXWWHOQT-FQEVSTJZSA-N 443.927 5.181 30 10 IKEE Cc1cccc(Oc2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3cccs3)cc2)c1 170476504 KGTTWVMCQYCUMW-QFIPXVFZSA-N 433.529 5.974 30 10 IKEE CC(=O)Nc1ccc(N=Cc2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1 252614475 JKAHSOXJGAFGCN-UHFFFAOYSA-N 437.293 5.377 30 10 IKEE C=C(C)[C@H]1CC[C@@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]34C)[C@@H]12 256079393 FELCJAPFJOPHSD-NUXRBXOHSA-N 440.712 7.204 30 10 IKEE CC(C)Oc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1cccc(Cl)c1 526710707 RYTKPNDRJBUYJY-QHCPKHFHSA-N 447.918 5.910 30 10 IKEE COc1cc(C)c(C)cc1S(=O)(=O)N(Cc1cccc(C#N)c1)c1ccc(C)cc1F 586213732 BLHPYSGVIZVHHZ-UHFFFAOYSA-N 438.524 5.027 30 10 IKEE N#Cc1cc(Br)ccc1CNc1cc(Br)cc(Br)c1 690406811 BIUATCXELWRTET-UHFFFAOYSA-N 444.952 5.458 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@H](C#N)c1cc(Br)c2c(c1)OCO2 698428630 ZPWXZQGWIHEQIN-QGZVFWFLSA-N 445.313 5.180 30 10 IKEE Cc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)cc1Cl 698459159 VLPMIBZEQSGNFX-GOSISDBHSA-N 435.749 6.417 30 10 IKEE Cc1ccc2c(c1)[C@@](C#N)(N(C(=O)OC(C)(C)C)c1ccccc1Br)CC2 698482122 MCDISYHMQJGKQC-JOCHJYFZSA-N 427.342 5.864 30 10 IKEE COc1cc(/C=C2\SC(=Nc3cccnc3Cl)N(C3CCCCC3)C2=O)ccc1O 1772735788 VMXWSYNTLWYRSG-HRXHUYTNSA-N 443.956 5.386 30 10 IKEE O=C1NC(=NN=Cc2ccc(-c3ccccc3Cl)o2)S[C@H]1Cc1ccccc1Cl 1772742532 WJEWVKMDDYAUOL-IBGZPJMESA-N 444.343 5.418 30 10 IKEE CSc1cccc(-n2cc(/C=N\NC(N)=S)c(-c3ccc(-c4ccccc4)cc3)n2)c1 1857807342 CNURTVHAHXSTTG-YSMPRRRNSA-N 443.601 5.095 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccc2OCc2ccc([N+](=O)[O-])cc2)c1 1858733717 UMEFAZYEFSLJMU-UHFFFAOYSA-N 446.507 5.659 30 10 IKEE Cc1cc2c(c(C)c1Cl)C(=O)CC1(CCN(c3ncc4c(c3C#N)CCCC4)CC1)O2 1859821611 PDFRNZXTYWECSB-UHFFFAOYSA-N 435.955 5.107 30 10 IKEE N#Cc1c(O)nc(SCc2ccc(Br)cc2)nc1-c1cccc(Cl)c1 1860463767 RXVBDSFIANXXPK-UHFFFAOYSA-N 432.730 5.429 30 10 IKEE O=C(/C=C/c1ccc(F)c(Br)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1 1860725955 CXXGEXUAUZAFNC-NTUHNPAUSA-N 440.268 5.602 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccccc2)c1)C(=O)NCc1cccc(C(F)(F)F)c1 1860734754 PRAZNXLINGERNA-OUKQBFOZSA-N 439.433 5.183 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 1861121215 YBXIDMIMICJFGG-LXKWBGADSA-N 431.577 5.150 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1cccc2ccccc12 1862381984 DIZBPVZCCNXTEO-NRFANRHFSA-N 440.326 6.135 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc(Br)c1 1862439555 MASRSLRVYULEMK-QGZVFWFLSA-N 434.717 5.089 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccccc2F)cc1 1862474975 ZWNBIVXDUKAQLN-QHCPKHFHSA-N 433.454 5.094 30 10 IKEE CCN(CC)CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cccc(C)c1 1862490340 TUHATVLUDWHHOA-RUZDIDTESA-N 448.607 5.312 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862540162 HVMBJJPSJRQFCY-FQEVSTJZSA-N 442.899 5.189 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2ccc(Br)cc2)cc1 1862540772 VQNADBMGCHEDKK-VLIAUNLRSA-N 442.353 5.388 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(Cl)c(Cl)c1 1862634189 VTIBJUMBJKQJPK-NSPYISDASA-N 448.302 5.099 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2ccccc2)c1 1862662597 JHGDKPAZLNNVDC-VWLOTQADSA-N 441.527 5.597 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccc(F)cc2)cc1 1862663383 SXXGNFHXESUXFQ-QHCPKHFHSA-N 430.479 5.123 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2Cl)[C@H]1c1ccccc1F)c1ccc(F)cc1 1862674117 SQLMTOISNYUXJI-NRFANRHFSA-N 439.845 5.397 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 1862678114 OGASFDFVJWZOJV-OUPRXKBMSA-N 449.566 6.280 30 10 IKEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccc(O)cc2)cc1 1862731919 ALFPXXXRKQWMKQ-XMMPIXPASA-N 449.547 5.482 30 10 IKEE COc1ccc(C2=C(Nc3ccc(C(C)C)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862962159 ZMHYPCXQWSNEKU-UHFFFAOYSA-N 437.499 5.087 30 10 IKEE COc1ccccc1C1=C(Nc2ccc(C#N)cc2)C(=O)N(c2ccc3ccccc3c2)C1=O 1863055047 UMYSDCUNWPDKOQ-UHFFFAOYSA-N 445.478 5.117 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(CC)cc2)=C(c2ccc(C)c(C)c2)C1=O 1863248507 UUGNFIXGJWJFJB-UHFFFAOYSA-N 432.608 6.418 30 10 IKEE N#Cc1cc(Br)c(NC(=O)CCc2ccc(Cl)cc2)c(Br)c1 1866030426 XKEWEEQUPYHCBU-UHFFFAOYSA-N 442.538 5.308 30 10 IKEE Cc1ccc(-c2nc(Nc3ccccc3C#N)cc(N3CC(C)(C)c4ccccc43)n2)cc1 1868327105 NBZZNUXFPSAVCM-UHFFFAOYSA-N 431.543 6.497 30 10 IKEE CC(C)(C)c1nc(Nc2cccc(C#N)c2)cc(N2CCC[C@@H](Oc3ccccc3)C2)n1 1868333816 VEFKLTFEXCOGON-JOCHJYFZSA-N 427.552 5.437 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)C2CCC(CCCC)CC2)n(-c2ccc(C)cc2)n1 1870001720 QEEGKDVCYYRCSD-UHFFFAOYSA-N 435.616 5.689 30 10 IKEE CCCCCCCOc1cn(CCCN(CC)CC)c(CSc2ccccc2)cc1=O 1870251931 XFWSSUVNHQUNPN-UHFFFAOYSA-N 444.685 6.222 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2F)c(CSc2ncccn2)cc1=O 1870260004 SWFPBURUTCNDLE-UHFFFAOYSA-N 441.572 5.467 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OC(C)C)c(=O)cc1CSC(C)(C)C 1870275019 CQBXZIAPCSPCBY-UHFFFAOYSA-N 425.635 5.571 30 10 IKEE C#CCOc1cn(Cc2ccccc2Cl)c(CNc2ccc(CCCC)cc2)cc1=O 1871005732 VLLMJMQDLHQKLV-UHFFFAOYSA-N 434.967 5.517 30 10 IKEE CCc1ccc([C@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2ccccc2F)C4=O)cc1 1871354712 YWJFXCQZZSJJBW-MQKZQLNTSA-N 429.491 5.917 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OC(=O)Cc3ccc(Cl)c(Cl)c3)ccc2C1=O 1871376689 DCHTUTQDRZYEKG-ODLFYWEKSA-N 445.323 6.128 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(-n5cccc5)cc4)ccc3C2=O)cc1 1871384582 YXWKHVQGXFGSLF-ONUIUJJFSA-N 435.479 5.875 30 10 IKEE C=CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(OC)c2)C3=O)cc1 1871389952 WNGSJQPJGATKKA-IWIPYMOSSA-N 442.467 5.404 30 10 IKEE CC(C)=C1Oc2cc(O[C@H](C)C(=O)Nc3ccc(Oc4ccccc4)cc3)cc(C)c2C1=O 1871404787 AAIFAXIGLORMCI-GOSISDBHSA-N 443.499 6.062 30 10 IKEE Cc1ccc(OCCCOc2ccc3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)cc1 1871405217 GMJSVLWYDZPNTM-IWIPYMOSSA-N 431.444 5.367 30 10 IKEE COc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 1871411263 HNCIUMOYBGYHFA-GEWRUKCFSA-N 447.462 5.165 30 10 IKEE Cc1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccccc2)C3=O)c1C 1871414709 XGDHPFUPFCJATN-OQLNFPPLSA-N 427.500 5.634 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1cccs1)C2=O)Nc1ccc(Cl)cc1F 1871446613 GDWPGSJREOMDIG-GRSHGNNSSA-N 429.856 5.174 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)cc1)[C@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1871776639 OMJMAKXAOQVJJG-YKSBVNFPSA-N 442.625 5.232 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 1871992302 GHSXTPJTKDXXBB-JOCHJYFZSA-N 449.016 5.331 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccccc1CC)S(=O)(=O)c1ccc(F)cc1 1872468285 AGLINSCTJCGMKS-QHCPKHFHSA-N 446.588 5.008 30 10 IKEE CCCCCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 1872766360 HTSDVBOCEKXQOZ-OAQYLSRUSA-N 438.980 6.913 30 10 IKEE N#C[C@@H](C(=O)c1c(Cl)ccc(Cl)c1Cl)c1nc(-c2ccc(F)cc2F)cs1 1872767049 NGKFPFQLENMDLW-JTQLQIEISA-N 443.689 6.539 30 10 IKEE CCCCCCCOc1ccc(-c2csc([C@@H](C#N)C(=O)CC3CCCCC3)n2)cc1 1872776370 OECSCORJJJTYPH-QHCPKHFHSA-N 438.637 7.306 30 10 IKEE N#Cc1cccc(NC(=O)c2ccc3nc(CCCOc4ccc(Cl)cc4)[nH]c3c2)c1 1872804946 SDWNTUYLMFVPPV-UHFFFAOYSA-N 430.895 5.352 30 10 IKEE C=CCNC1=C(c2ccccc2Cl)C(=O)N(C2CCCCCCCCCCC2)C1=O 1873031899 ORZSCKTUMUFSCD-UHFFFAOYSA-N 429.004 5.869 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2C)C(=O)N(Cc2ccc(OC)cc2)C1=O 1873104148 LGPLYRHRLKRWDZ-UHFFFAOYSA-N 434.580 5.234 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(C)cc2C)=C(c2ccccc2C)C1=O 1873302685 CVVJFGOIXMSOBH-UHFFFAOYSA-N 446.635 6.945 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)cc2C)cc2c(NCCc3ccc(C)cc3)ncnc21 1873616645 AJPRDCJAGNQNTK-UHFFFAOYSA-N 439.563 5.449 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C(C)C)cc2)cc2c(NCCCCCCCC)ncnc21 1873621594 YMNCYAQSPLJSGX-UHFFFAOYSA-N 447.627 6.765 30 10 IKEE C=CCSc1nnc(COc2ccc(OCC)cc2)n1/N=C/c1ccccc1Cl 1874236618 RCJKQKPVXHWEFY-OEAKJJBVSA-N 428.945 5.070 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2ccc(C)cc2)cc1 1874303474 ARRGSFDPCHYJKY-OVVQPSECSA-N 442.588 5.751 30 10 IKEE Cc1ccc(CSc2nnc(COc3cccc(C)c3C)n2/N=C/c2ccco2)cc1 1874322483 SMWWYZLUOCFEJM-AFUMVMLFSA-N 432.549 5.550 30 10 IKEE CCCSc1nnc(COc2cccc(C)c2C)n1/N=C/c1cccc2ccccc12 1874324165 BWMJYUYWJBXGAU-WGOQTCKBSA-N 430.577 6.011 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3C)n2/N=C/c2cccn2C)cc1 1874359907 FDMVLHLLXORLQQ-YZSQISJMSA-N 429.593 5.193 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3ccccc3C)nnc2[C@@H](C)c2ccccc2)cc1 1874392903 XZMVLARWADTYAW-XLKFHUSGSA-N 426.589 6.221 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@H](C)c3ccccc3)n2/N=C/c2ccccc2C)c1 1874395898 YAVDZAKQXVTKOE-LWKXQZBCSA-N 440.616 6.530 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874440738 QKEXIHNAFLTXEF-YDZHTSKRSA-N 443.960 5.603 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(SCCc2ccccc2)nnc1[C@H]1CCCO1 1874445584 FYLDVBFPPJMRBY-YALBQKEFSA-N 436.581 5.134 30 10 IKEE Fc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C(F)(F)F)c1 1874462938 LRZRHEUXEMTPJX-KTZMUZOWSA-N 449.260 5.917 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1/N=C/c1ccccc1Cl 1874478215 UPEDFXCRYLYUGO-ZVHZXABRSA-N 441.988 5.196 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874478666 LSZLDKVKUIJSOA-LPYMAVHISA-N 429.933 5.357 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C(C)(C)C)cc1 1874485707 IZEBMRREHOGOSJ-WYMPLXKRSA-N 449.407 6.066 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(COC)nnc2SCc2ccccc2C)cc1 1874499888 GBIRCKPGINJIRK-PCLIKHOPSA-N 438.597 5.476 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(N(C)C)cc1 1874517430 TVXZRTFWLAOVAM-WYMPLXKRSA-N 448.423 5.949 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/n2c(S)nnc2C(F)(F)F)cc1OC 1874559699 IQUGRAIZYPSYRV-ZVHZXABRSA-N 444.523 5.606 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(C)c(C)c2)c1OCC(=O)Nc1ccccc1 1874588236 XHYGDHXUUYMNEX-VAWYXSNFSA-N 449.934 5.879 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1OCc1cccc(C)c1 1874595989 DJXFICIUXMYQJG-UXBLZVDNSA-N 427.327 6.786 30 10 IKEE CCOc1c(OC)ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1Br 1874595991 DMDQOQXMVJUSKR-VMPITWQZSA-N 430.125 6.059 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1OC 1874603265 RFJHHRLDRLXJHF-PKNBQFBNSA-N 438.907 5.841 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cc(C)ccc3C)c(Cl)c2)cc1 1874604281 DGPWHVDKJNIXJK-UKTHLTGXSA-N 447.962 6.433 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccccc1Cl 1874608691 BORDJAIAXGHGKJ-PKNBQFBNSA-N 428.271 6.377 30 10 IKEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2Cl)o1 1874613152 FPJHFQFRYSXDMO-XNWCZRBMSA-N 431.271 5.848 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cc(Cl)c(OCc3ccccc3)c(OC)c2)c1 1874619224 PZQAQEWEJHLFKS-PKNBQFBNSA-N 438.907 5.841 30 10 IKEE Cc1ccc(C)c(COc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2Cl)c1 1874622401 WRLBGLHBELFOPD-RIYZIHGNSA-N 432.991 7.729 30 10 IKEE O=C(CCCOc1ccccc1)Oc1cccc(/C=C/C(=O)c2ccc3ccccc3c2)c1 1874692359 BUKTYTBBGOIDDI-OBGWFSINSA-N 436.507 6.501 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2)cc1OC 1874694136 NEGKYRPBANRXFX-YRNVUSSQSA-N 447.443 5.036 30 10 IKEE C=CCN(CC=C)CCC(=O)c1cccc(NC(=O)c2c(Cl)ccc(Cl)c2OC)c1 1874725068 KDKMHGTUBBZHPR-UHFFFAOYSA-N 447.362 5.501 30 10 IKEE C=CCN(CC=C)CCC(=O)c1ccc(NC(=O)c2c(Cl)ccc(Cl)c2OC)cc1 1874754821 AKAUEZAYEPWPQF-UHFFFAOYSA-N 447.362 5.501 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2)c(Cl)c1)c1ccc(-c2ccccc2)cc1 1875078388 NHSNPYYGXONOLA-GZTJUZNOSA-N 438.910 7.122 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1cc(C)cc(C)c1 1875096010 SCTKKQHTOYHUKB-XYOKQWHBSA-N 436.507 6.581 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1cccc(Cl)c1 1875121521 UDDRDNGDUMBQCZ-ONNFQVAWSA-N 442.254 6.017 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2Br)cc1)c1cccc(Cl)c1 1875123651 XBBQKUWPAOOMEI-JLHYYAGUSA-N 441.708 6.218 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc([N+](=O)[O-])c1OC(=O)[C@H](C)c1ccccc1 1875127144 QENAXVLIBZUOHU-LGHUBQEGSA-N 445.471 5.599 30 10 IKEE COc1ccccc1C(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(C)cc2)cc1OC 1875132504 VEQNJZZPPTYMJY-JLHYYAGUSA-N 436.891 5.781 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1OC 1875133813 CZUJBFMPQRHXKB-RMKNXTFCSA-N 441.738 6.647 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)c1ccccc1Cl 1875134308 WOJMZEYXJBHFQE-JLHYYAGUSA-N 434.919 6.471 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc([N+](=O)[O-])c1OC(=O)CC(C)C 1875140512 KCPHAWDHRWWKCQ-MDZDMXLPSA-N 425.481 5.458 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(OC)ccc3OC)cc2)cc1 1875145346 HOECCFKNIKFZLS-VIZOYTHASA-N 432.472 5.218 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(OC)ccc2OC)ccc1OC(=O)c1ccccc1C 1875147132 MQTBUWQBAXWWGB-JLHYYAGUSA-N 446.499 5.526 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc(OC)c1OC(=O)C(F)(F)F 1875166957 WOYDLHSDEMALBF-CSKARUKUSA-N 448.437 5.413 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)CC1CCCCC1 1875170158 JYCBRHQEGQCWQQ-WYMLVPIESA-N 448.603 7.091 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)C(C)(C)C)c(OCC)c2)c1 1875172414 SVWGFRGBPJTLKG-JLHYYAGUSA-N 440.536 5.730 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3c(C)cc(C)cc3C)cc2)cc1 1875182603 LRISEFIOABNENK-OVCLIPMQSA-N 444.527 5.891 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2ccccc2)c(Cl)c1 1875192847 GHVPSSXAZSGRDA-JXMROGBWSA-N 441.310 6.046 30 10 IKEE N#CC1(c2ccccc2)CCN(C(=O)c2cccc(C(F)(F)F)c2C(F)(F)F)CC1 1890864734 LZKLTKPQNMVVEC-UHFFFAOYSA-N 426.360 5.422 30 10 IKEE N#Cc1ccc(N2CCN(C(=O)c3cc(Cl)c(Cl)c(Cl)c3Cl)CC2)cc1 1891357059 MLZOEVLLMLFLQU-UHFFFAOYSA-N 429.134 5.134 30 10 IKEE C[C@H]1CCC[C@@]2(CSC(=NCC3(N(Cc4ccccc4)Cc4ccccc4)COC3)N2)C1 1912130386 DSKNIVUDASVNND-NVQXNPDNSA-N 449.664 5.099 30 10 IKEE CC1(C)CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCC2)[C@H](CNC(=O)OC(C)(C)C)C1 1927164755 IZDSCDGGLWXVLH-XDHUDOTRSA-N 435.609 5.389 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1943912919 QEGZXXJDBYFGJM-FDDCHVKYSA-N 449.979 5.811 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CCC2 1948905057 KOGIYKOZWKCJPX-JCYRPKCISA-N 428.617 5.307 30 10 IKEE C=C(Br)CN(CCCNC(=O)OC(C)(C)C)c1cccc(Br)c1 1982250988 HTMOTWZUGCJQJD-UHFFFAOYSA-N 448.199 5.079 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@]1(C#N)CCCC[C@@H]1OCc1ccccc1 1998813182 GEGLDWPPSBBGJO-DHLKQENFSA-N 440.971 6.503 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@]1(C(C)(C)C)CCN(C(=O)OC(C)(C)C)C1 2008767638 KAOXQYAVOPURMB-NVQXNPDNSA-N 430.633 5.411 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CC12CCC(C#N)(N(C(=O)OC(C)(C)C)C1CCCC1)CC2 2040470625 BIKQVUCDYLFNAJ-UTTDKNERSA-N 447.620 5.533 30 10 IKEE CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2067953199 HQMHLHCLEOMTCX-CYFREDJKSA-N 447.551 5.495 30 10 IKEE CCc1nn([C@@H](c2ccc(C3CCC3)cc2)C(C)(C)C)c(I)c1C#N 2079906916 VJCDNUVYQPOSTB-IBGZPJMESA-N 447.364 5.825 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCN(C(=O)OC(C)(C)C)C12CCCCC2 2083809829 YMKADKCUMPFODH-UQBPGWFLSA-N 449.636 6.018 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(C)c1Br)NCC 2087873852 AFIHNMCXKSQXSG-ZWKOTPCHSA-N 425.411 5.138 30 10 IKEE Cc1ccc(C(=O)N2CCC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)cc1NC(=O)OC(C)(C)C 2124519907 ORJYKGRBGKFORX-GOSISDBHSA-N 444.381 5.040 30 10 IKEE CCCCCCCCC[C@H](N)[C@H](O)c1scc(Br)c1Br 2150581617 GQTILOWXJHPFRB-JSGCOSHPSA-N 427.246 5.775 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)C(C)(C)C1CCCCC1 2151427273 QIHHBOGNXMVFEM-LJQANCHMSA-N 435.406 6.689 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCN[C@H](C2CCC2)C1 2194158131 LPFFOPFZTKYLDA-UWJYYQICSA-N 434.378 5.005 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)CC(C)(C)[C@H](C)NC(=O)OC(C)(C)C 2235716157 DWMDMWGYKCCQCV-FUHWJXTLSA-N 437.422 5.108 30 10 IKEE C=CCCCCCC[C@H](O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237383864 XIRXCGVMIJRBRT-PMACEKPBSA-N 440.422 5.772 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCC)c2cccc(Cl)c2Br)C1 2259407993 IVKKNKAUKXKRJC-INIZCTEOSA-N 429.786 5.367 30 10 IKEE C=CCCC[C@@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2262828568 POLHVONNGRRESF-AREMUKBSSA-N 431.576 6.217 30 10 IKEE N[C@H](C#Cc1cccc(Br)c1)c1cc(Br)sc1Br 2264170901 XZDJJUZIAQSOOA-LLVKDONJSA-N 449.993 5.087 30 10 IKEE O[C@H](C#Cc1ccc(Br)cc1)c1cc(Br)cc(Br)c1 2278814311 QJPMTIHXIYUBLG-OAHLLOKOSA-N 444.948 5.059 30 10 IKEE CC1(C)OB(c2ccc(NC(=O)N(Cc3ccccc3)CC3CCCCC3)cc2)OC1(C)C 2282757728 AENBPZIVAWHKET-UHFFFAOYSA-N 448.416 5.600 30 10 IKEE CN1C(=C2SC(=Nc3ccccc3)N(CCc3ccccc3)C2=O)Sc2ccccc21 2295181998 PTORMSCEGKEQOG-UHFFFAOYSA-N 443.597 5.903 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@H](CC)CCNC(=O)OC(C)(C)C 2296270745 AQZLWFFCTGGQDM-UYAOXDASSA-N 437.422 5.110 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H](C)CCCNC(=O)OC(C)(C)C 2296311649 ZSWHPAWFQLSKPY-FXAWDEMLSA-N 437.422 5.110 30 10 IKEE Cc1ccccc1COc1ccc2c(c1)OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O 2296592361 UAFIWGJHPLSYQU-UHFFFAOYSA-N 434.875 5.710 30 10 IKEE COc1ccc(C=C2SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1OC 2296826822 WOWVYLDBBKOZML-UHFFFAOYSA-N 444.556 6.129 30 10 IKEE O=C(C=Cc1ccccc1)Oc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1Cl)C2=O 2296871159 ZHSXGZNCWRLPAZ-UHFFFAOYSA-N 437.278 6.228 30 10 IKEE CCOc1ccc(C=C2SC(=Nc3cccc(C(F)(F)F)c3)N(C)C2=O)cc1OC 2297461806 BMJMLUVREAWAQT-UHFFFAOYSA-N 436.455 5.347 30 10 IKEE Cc1cc(C=C2SC(=Nc3ccccc3)NC2=O)c(C)n1-c1cccc(C(F)(F)F)c1 2313560364 QWTKLODKOZKYOK-UHFFFAOYSA-N 441.478 6.005 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O)c1ccccc1 2314437550 PMDYBFYOGLFGNL-UHFFFAOYSA-N 432.475 6.232 30 10 IKEE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2Oc3ccc(C)cc3C2=O)c(C)c1 2314519625 VTQHRSKDYIFSDM-UHFFFAOYSA-N 436.511 6.171 30 10 IKEE COc1ccccc1C=C1SC(=NN=Cc2ccccc2C)N(Cc2ccco2)C1=O 2314819194 VAGGZXULUACBER-UHFFFAOYSA-N 431.517 5.103 30 10 IKEE CN[C@H](C#C[C@@H]1CC1(F)F)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2318518971 NIHIFAYOTBRABH-DNQXCXABSA-N 433.498 5.764 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1cccc(Cl)c1 2318572023 YKYKLCXDDRKGFR-UHFFFAOYSA-N 439.799 6.365 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1cccc(OC)c1OC 2318574582 NYDYKFHOZXIFCD-UHFFFAOYSA-N 438.597 5.429 30 10 IKEE Cn1cc(C=C2Oc3c(ccc4c3CN(CCc3cccs3)CO4)C2=O)c2ccccc21 2322194722 OHRUZNMKPWROOC-UHFFFAOYSA-N 442.540 5.251 30 10 IKEE Cc1ccc(CCN2COc3cc(C)c4c(c3C2)OC(=Cc2cccc(Cl)c2)C4=O)cc1 2322220606 VIDFZWUSVFAZGP-UHFFFAOYSA-N 445.946 5.968 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(C(C)(C)C)cc1)C3=O)CN(Cc1ccccn1)CO2 2322311981 IJIWCPIVYUCTBO-UHFFFAOYSA-N 440.543 5.656 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Br)ccc2OCCc2ccccc2)cc1 2322353471 AKQNIDZSNVXBQY-UHFFFAOYSA-N 435.361 6.529 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(Cl)cc2)c1OCC(=O)Nc1ccc(C)cc1 2322542416 WJZIHKNXCUUSJO-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE Cc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2Br)C3=O)cc1 2322671261 AUXLAJYGABFKSB-UHFFFAOYSA-N 449.300 5.901 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)NCc2ccccc2)cc1 2322736520 OARZMIZSTZOUTA-UHFFFAOYSA-N 447.962 6.055 30 10 IKEE COc1cccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)c1OCc1ccc([N+](=O)[O-])cc1 2322844880 FBJKBPXBMJZPHW-UHFFFAOYSA-N 445.515 6.312 30 10 IKEE COc1cccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)c1OCc1cccc(Cl)c1 2322969086 XAFHBFSXBIQRCT-UHFFFAOYSA-N 448.990 7.430 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OCc1ccc(Cl)cc1Cl 2323153220 NFAKIHVXBDYOAN-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(OC)c1OCC(=O)OCCC 2323409450 FEIUVTARXMBPIF-UHFFFAOYSA-N 444.527 5.805 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)ccc1OCC(=O)Nc1ccc(C)cc1 2323503316 KRECHWVJICGHKV-UHFFFAOYSA-N 445.515 5.316 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1cccc(C)c1C 2323914966 ICQUXBMRJADANE-UHFFFAOYSA-N 443.543 5.924 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)NC3CCCCC3)c(Cl)c2)cc1F 2324110836 DDMNVWTVYPRJCP-UHFFFAOYSA-N 445.918 5.212 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2Cl)cc1)c1ccc(Oc2ccccc2)cc1 2324281138 LETYTIPATUEREZ-UHFFFAOYSA-N 440.926 7.607 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccccc2)C3=O)c1 2324456123 ZBKXOMOEWQPVLR-IBGZPJMESA-N 427.500 5.634 30 10 IKEE COc1ccc(C=C2Oc3cc(OCCCCOc4ccccc4)ccc3C2=O)c(OC)c1 2324574749 FVIGHPPAKSYVJH-UHFFFAOYSA-N 446.499 5.558 30 10 IKEE CC(C)(C)c1ccc(OCCOc2ccc3c(c2)OC(=Cc2ccccc2F)C3=O)cc1 2324685127 UMDQZWKCOPOKJH-UHFFFAOYSA-N 432.491 6.197 30 10 IKEE CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(F)cc2)C3=O)c1 2324825748 XNGFZXVSQYAFDU-INIZCTEOSA-N 445.446 5.051 30 10 IKEE Cc1cc(OCCOc2ccccc2F)cc2c1C(=O)C(=Cc1ccc(C(C)C)cc1)O2 2324857833 ZJBZNLHJASDCFM-UHFFFAOYSA-N 432.491 6.332 30 10 IKEE COc1ccc(C)cc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccccc1C)C2=O 2325121186 GNFGQQKTTNBPST-UHFFFAOYSA-N 443.499 5.254 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1cccc(OCC)c1 2325571933 YKJDXZXOZODYSO-UHFFFAOYSA-N 449.407 6.111 30 10 IKEE CCOc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccc(C)cc2)C3=O)cc1 2325705146 HMTRAMAWMGMKPJ-UHFFFAOYSA-N 443.499 5.336 30 10 IKEE CCCOc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c(C)c3)c2)cc1 2325714341 MQTUZCISMMDJJT-UHFFFAOYSA-N 444.527 5.837 30 10 IKEE O=C(CCCOc1ccccc1)Oc1cccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)c1 2325722232 FTNPERNNAYZGKY-UHFFFAOYSA-N 431.444 5.256 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1cccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)c1 2325722259 LADYWNNNJSWEQP-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3ccccc3OCC)c2)cc1 2325734655 PGLVPCZKLKLEHH-UHFFFAOYSA-N 446.499 5.365 30 10 IKEE CCOc1cccc(C(=O)Oc2cccc(C=CC(=O)c3cc(OC)ccc3OC)c2)c1 2325744623 NFCACAVVSLIYOV-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1OC(=O)c1cccc2ccccc12 2325750957 GCGBOJXPSSTNAQ-UHFFFAOYSA-N 426.443 6.103 30 10 IKEE C=C(C)CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1cccc(OC)c1 2326908593 GGUWARMNNZZGFP-UHFFFAOYSA-N 436.625 5.596 30 10 IKEE C=CCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1cccc2ccccc12 2327771859 VXBUQROXMDCVCC-UHFFFAOYSA-N 434.568 6.336 30 10 IKEE Fc1ccc(C=Nn2c(CCCOc3ccccc3)nnc2SCc2ccccc2)cc1 2328745001 UDDIDXKULBOOQQ-UHFFFAOYSA-N 446.551 5.603 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccc(C)c(C)c3)n2N=Cc2ccccc2)c1 2328780846 NIXQKVIXNCMOPL-UHFFFAOYSA-N 442.588 5.957 30 10 IKEE Oc1cccc(C=Nn2c(Cc3ccc(Cl)cc3)nnc2SCc2ccccc2)c1 2329102181 FPUPSTBVEKCCHY-UHFFFAOYSA-N 434.952 5.402 30 10 IKEE Fc1ccc(CSc2nnc(Cc3ccccc3F)n2N=Cc2ccccc2F)cc1 2329712840 QJFZKKOUEBVRFU-UHFFFAOYSA-N 438.478 5.461 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(C)c3)n2N=Cc2cccc(Cl)c2)cc1 2329947359 KHDGQABWKCJPEA-UHFFFAOYSA-N 447.007 6.314 30 10 IKEE Cc1ccc(CSc2nnc([C@H](C)c3ccccc3)n2N=Cc2ccc(O)cc2)cc1 2330051574 FGGHPQNUXSQNFZ-LJQANCHMSA-N 428.561 5.618 30 10 IKEE Cc1ccccc1CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1ccc(Cl)cc1 2330057663 ZCUIVLNOXROXGH-LJQANCHMSA-N 447.007 6.566 30 10 IKEE C=CCSc1nnc([C@H](C)c2ccccc2)n1N=Cc1ccc(Br)cc1 2330118661 DAOZMHZKPWRIEK-OAHLLOKOSA-N 427.371 5.353 30 10 IKEE Cc1ccc(O)c(C=Nn2c(Cc3cccs3)nnc2SCc2ccccc2C)c1 2330330599 OOFRFBRQNDZHNU-UHFFFAOYSA-N 434.590 5.427 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(-c3cccs3)n2N=Cc2ccccc2F)cc1 2330566347 HKBRTYHJXYKGCL-UHFFFAOYSA-N 439.497 5.228 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccco2)c(Br)c1)c1ccc2ccccc2c1 2330664239 WWTQUKWZKHEKRY-UHFFFAOYSA-N 447.284 6.311 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OC(=O)c1ccccc1 2330681436 NUPADEIJLWIXAK-UHFFFAOYSA-N 442.511 5.698 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3ccc4nc(C)c(C)nc4c3)cc2)c1 2330777040 GPYDHVVEHOETRW-UHFFFAOYSA-N 438.483 5.371 30 10 IKEE Clc1cccc(Cl)c1C=Nn1c(SCCc2ccccc2)nnc1[C@H]1CCCO1 2330968019 LFTFHJABFUCBLI-LJQANCHMSA-N 447.391 5.653 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3)c(Br)c2)c(C)c1 2331224453 NAWWGMJIXXVCHD-UHFFFAOYSA-N 449.344 6.110 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c([N+](=O)[O-])c2)c(C)c1 2331225298 JDATZORUXOOGAC-UHFFFAOYSA-N 446.415 5.235 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3[nH]c4ccc(C)cc4c3C)c(Cl)c2)cc1 2331265985 PDBQAMSYJHIJPR-UHFFFAOYSA-N 443.930 6.862 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)cc3)c(Cl)c2)c1 2331385056 AMBMJIIJEYPOEH-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OC(=O)c1sccc1C 2331480526 ZVVXOSMEEINIOD-UHFFFAOYSA-N 442.536 6.724 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1ccc(F)c(F)c1 2331510031 QXDPXSBIXYGBGC-UHFFFAOYSA-N 436.454 6.212 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1ccc(F)cc1 2331527613 KRNXOOFLANNZLH-UHFFFAOYSA-N 425.799 5.503 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C(C)(C)C)ccc3C)cc2Cl)cc1 2331792715 IMNDRJYZPLXASK-UHFFFAOYSA-N 446.974 7.370 30 10 IKEE C=CCCCCCCCCOc1cc(Br)cc(I)c1 2338894382 BYAFDTLQBXCISN-UHFFFAOYSA-N 437.159 6.349 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Oc2c(F)cc(C#N)cc2F)ccc1Br 2344222071 RPHUSVLOODHGPQ-UHFFFAOYSA-N 425.229 5.738 30 10 IKEE C=CCC(CC=C)[C@H](NC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2364011134 IVMISYPFLPPIBG-UXHICEINSA-N 437.422 5.241 30 10 IKEE CCCC1CCC(C=O)(Cc2ccc(I)c(Br)c2)CC1 2377346784 XMLXIVGNCNFVEU-UHFFFAOYSA-N 449.170 5.772 30 10 IKEE O=C1/C(=C/c2cccc(Br)c2)Oc2cc(OCc3ccc(Cl)cc3)ccc21 2416265 XLXRSXNBYDGPFS-NHDPSOOVSA-N 441.708 6.298 30 10 IKEE CCCCCn1c(SCC#N)nc2cc(C(=O)Nc3cccc(Cl)c3)ccc2c1=O 9775425 NHKQNVPXIJGBCE-UHFFFAOYSA-N 440.956 5.108 30 10 IKEE Oc1ccccc1/C=N\c1ccccc1SCc1csc(-c2ccc(Cl)cc2)n1 20414108 ZBTVKKASNMLSID-MXAYSNPKSA-N 436.989 7.212 30 10 IKEE O=C1C[C@H](c2ccccc2Cl)CC2=C1[C@@H](c1cccc(Cl)c1)Nc1ccccc1N2 21242622 DPTRDXSDSABZCV-PUAOIOHZSA-N 435.354 6.973 30 10 IKEE C=CCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2[C@H]1c1cccc(Oc2ccccc2)c1 36293554 YHHILYOJMZFESY-RUZDIDTESA-N 437.495 5.933 30 10 IKEE C=CCn1c(O)c(C(=O)c2cc(Cl)c(OCCCCC)c(Cl)c2)c(C)c(C#N)c1=O 38616960 VNIUQKUXJMAOGT-UHFFFAOYSA-N 449.334 5.027 30 10 IKEE Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2/C=C2\Oc3ccc(Cl)cc3C2=O)c1 39842463 LWWYBRLFWNRUKN-CFRMEGHHSA-N 426.903 6.426 30 10 IKEE Cc1csc(/N=C2/S/C(=C\c3cccc4ccccc34)C(=O)N2c2ccccc2)n1 39865538 ZHUGPOSFXKDVJT-SXVBQMOPSA-N 427.554 6.413 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCCC)c2)[C@H]1c1cccc2ccccc12 40101566 QLNGKTBGQVDQFE-RUZDIDTESA-N 443.543 6.007 30 10 IKEE COc1ccc(CCN2COc3c(cc4c(c3C)O/C(=C\c3ccc(F)cc3)C4=O)C2)cc1 41586757 RPCITXVVWGMBAJ-CFRMEGHHSA-N 445.490 5.154 30 10 IKEE C/C(CC(C)C)=N\Nc1nc(SCCC(=O)N(c2ccccc2)c2ccccc2)n[nH]1 59892246 QKYIJYQPXWASOE-XIEYBQDHSA-N 436.585 5.486 30 10 IKEE O=C(/C=C\c1ccc(COc2c(F)c(F)cc(F)c2F)o1)c1ccc(-n2ccnc2)cc1 96603048 ALFIDNJDZJZYFH-FPLPWBNLSA-N 442.368 5.497 30 10 IKEE Cc1ccc(/N=C/c2cc(Cc3ccccc3Cl)cc(Br)c2O)c(O)c1 100132755 JKVVJEVQFFTDJG-WYMPLXKRSA-N 430.729 6.164 30 10 IKEE CCCCCCCCCCCCn1c(CNC(=O)c2cccs2)nc2ccccc21 102134976 LQDCGSBWKIWCFT-UHFFFAOYSA-N 425.642 6.949 30 10 IKEE CCCCCCCn1c([C@@H](C)NC(=O)c2ccc(Br)cc2)nc2ccccc21 102221164 PAOCFLBVWMKKRK-QGZVFWFLSA-N 442.401 6.260 30 10 IKEE C=C[C@@H]1C=C(COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]2OC(C)(C)O[C@@H]12 142650144 PTIHDIXARMLYBE-KKVCJECGSA-N 438.567 6.257 30 10 IKEE COc1cc(/C=N/Nc2ccc(C)cc2)ccc1OCc1c(Cl)ccc(Cl)c1Cl 169877577 NENHASQKPRXHSQ-RPPGKUMJSA-N 449.765 6.989 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccc(OC)cc2)cc1 169923456 VCRBZLDNCGAPRY-XMMPIXPASA-N 443.499 5.049 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccs1 169984310 LIVLWHLVVBSRSZ-LJQANCHMSA-N 444.339 6.146 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1cccs1 169989667 CDJIFAXUGLEQMG-HSZRJFAPSA-N 435.520 5.027 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2c(C)[nH]c3ccccc23)c1 170103949 DXQNZTRPCZOQSI-XMMPIXPASA-N 440.499 5.465 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2c2ccccc2)c1 170117931 RVLKRLFHTXKRBE-DEOSSOPVSA-N 443.499 5.265 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2C2CCCCC2)c1 170145415 MNGHOUGYHBEDIQ-RUZDIDTESA-N 447.575 5.941 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2cccs2)c1 170155272 HIVHBFJLGZLXAN-NRFANRHFSA-N 437.492 5.459 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@@H]1c1cccs1 170165500 NFRRFOILBIFKGF-NRFANRHFSA-N 441.593 5.823 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1cccs1 170165618 ATPFFLISSIRJHQ-QGZVFWFLSA-N 434.355 5.279 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccccn2)c1 170170183 LKUSQTHEXUQHIT-VWLOTQADSA-N 434.495 5.635 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2cccnc2)c1 170187332 FJQFNSXQVCUVTO-XMMPIXPASA-N 442.515 5.269 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@H]1c1ccc(OCC)cc1 170214175 ZLMTWRNCIFWCCS-HXUWFJFHSA-N 443.927 5.044 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(OCC)c2)cc1 170218755 MQYGNKZMNFVSPR-XMMPIXPASA-N 449.547 5.395 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccccc2)cc1C 170223909 VDHNYSULUADPCN-RUZDIDTESA-N 441.527 5.712 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccccc1 170226699 ZZKQDVURYJGHFC-NRFANRHFSA-N 437.854 5.271 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccc(O)c2)cc1Cl 170258474 BWCMYOQCLWEZRQ-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(CC)cc2)c1 170268502 KPTXUKMNTYSTHX-DEOSSOPVSA-N 433.548 5.559 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccco1 170279818 LUCWLFHIAPRKHC-NRFANRHFSA-N 435.545 5.726 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccco2)cc1C(C)C 170282245 IXGQPVDYCLGQIW-HSZRJFAPSA-N 449.478 5.642 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccco2)ccc1Cl 170284844 KATIOUWFMVXNGA-NRFANRHFSA-N 437.879 5.341 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)=C(O)C(=O)N1C1CCCCC1 170317641 MHHPKDKFPHQKIB-QVKFZJNVSA-N 437.561 5.291 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]2c2ccc(OC(C)C)cc2)cc1 170473687 HQNPZBVCAYBWIV-JOCHJYFZSA-N 437.536 5.388 30 10 IKEE COc1ccc(O)c(-c2cc(-c3ccc(C#N)cc3)cc(N[C@H]3CCC[C@@H](C(=O)O)C3)n2)c1 247877637 HVJHVUIODQULTQ-QUCCMNQESA-N 443.503 5.057 30 10 IKEE COc1ccc(C=Nc2ccc(-c3cc(-c4ccccc4)c4cc(Cl)ccc4n3)cc2)cc1 252610349 IAVIUQBSFAIHJI-UHFFFAOYSA-N 448.953 7.981 30 10 IKEE CC(C)(C)c1ccc(-c2nc3cc(N=C/C=C\c4ccc([N+](=O)[O-])cc4)ccc3o2)cc1 254381949 XOMLDDQMPKXUBC-DKDJOGJDSA-N 425.488 7.116 30 10 IKEE C#C[C@H](Nc1c(Br)cc(Br)cc1Br)c1ccccc1 378752247 QPXWDPHQIMGSLF-AWEZNQCLSA-N 443.964 5.761 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Br)ccc1F)NCCC 406723186 VENXZWAMHYLZFG-RTBURBONSA-N 443.401 5.358 30 10 IKEE CCOc1ccc([C@@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1OC 526609266 UACUNLRMFZVWFE-RUZDIDTESA-N 440.499 5.331 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 698482793 GMDLXUNDTNBFCZ-UUOWRZLLSA-N 429.561 5.276 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@]1(C#N)CCc2ccc(Br)cc21 698887488 JMSJFGJOMYDZMN-NRFANRHFSA-N 431.305 5.695 30 10 IKEE Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2cccc(O)c2Cl)c1C 762440791 ZPAKHFWGRINJRN-UHFFFAOYSA-O 436.944 5.145 30 10 IKEE CCCCSc1ccccc1NC(=O)CSc1n[nH]c(NN=C(C)CC(C)C)n1 1084220112 GDGBWACWXCVRAV-UHFFFAOYSA-N 434.635 5.262 30 10 IKEE O=C(CCSc1n[nH]c(NN=C/C=C/c2ccccc2)n1)Nc1cccc2ccccc12 1084425760 WNOXLXZVUAGYOM-KNFNHIDQSA-N 442.548 5.190 30 10 IKEE C=C(C)[C@@H]1CC[C@@H]2[C@]3(C)CC[C@H]([C@H](C)CCC=C(C)C)[C@]3(C)CC[C@@]23C[C@@]13CCC(=O)O 1615811193 KNVUFXYCGYEIRS-NLUQIHEGSA-N 440.712 8.429 30 10 IKEE biogenic Cc1nnc(N=C2S/C(=C/C=C/c3ccccc3[N+](=O)[O-])C(=O)N2c2ccccc2)s1 1772735917 GQIGNMRUBKPGJC-PQWAUYODSA-N 449.517 5.120 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=Nc1ccccc1C(=O)O 1772762497 LKPFJIKQVNCARE-ZZYMSUEGSA-N 433.316 5.482 30 10 IKEE Cc1cccc(NC(=S)N/N=C\c2cn(-c3ccc(C)c(C)c3)nc2-c2ccccc2)c1 1857809094 PGZMHHJSXYHFPP-YUMHPJSZSA-N 439.588 5.785 30 10 IKEE Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2/C=N\NC(=S)Nc2ccccc2)cc1 1857809277 TUIJUENLMHOGSY-YSMPRRRNSA-N 429.524 5.307 30 10 IKEE CCCCCCCOc1cccnc1NC(=O)N1CCN(c2cccc(Cl)c2)CC1 1858820867 JVKJOWTWMITLHC-UHFFFAOYSA-N 430.980 5.438 30 10 IKEE C=CCOc1ccccc1OCC(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 1859469019 JRUMVECMNUAFIC-UHFFFAOYSA-N 430.529 5.854 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)/C=C/c1ccc(OCC)cc1 1861584033 OHNCVWJDFGMATO-CIEQNIFPSA-N 430.633 5.640 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862397098 JJCQZZLHJBCJDH-NRFANRHFSA-N 443.465 5.812 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2cccc(C)c2)cc1C 1862400421 DLYAWDBLRAEVHJ-VWLOTQADSA-N 447.575 6.003 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2[C@@H](C)c2ccccc2)c1 1862429654 RNCNQECDOGWFDC-GAJHUEQPSA-N 431.919 5.988 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1C1CCCCCCC1 1862442835 LXAVPTOKOZLPIE-QHCPKHFHSA-N 437.967 6.340 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc2cc[nH]c2c1)c1c(F)cc(F)cc1F 1862463527 IGZOCCFDILMYKT-NRFANRHFSA-N 440.421 5.106 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1cc(Cl)cc(Cl)c1 1862468071 YPNVCVJAPRYLMO-MRXNPFEDSA-N 430.209 5.009 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(C(C)C)cc1 1862477791 RPTWBKQOIWCYFZ-AOYPEHQESA-N 447.619 7.056 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccccc1F 1862544523 FWUGNYZJMOZYAV-WSNNEZGNSA-N 447.550 5.862 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 1862615057 HLWKSEQZHSSTTP-DEOSSOPVSA-N 443.543 5.918 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccccc1Cl 1862618658 XHHPAYLADOOBGI-NRFANRHFSA-N 441.955 5.252 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1C1CCCCCC1 1862649316 VORPPCXTKLGXQE-AREMUKBSSA-N 439.555 6.449 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cc(Cl)cc(Cl)c1 1862657750 INPDENDDMALZAU-NRFANRHFSA-N 440.326 6.135 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(O)cc1 1862662405 JKTWWXHWYLRQGZ-VWLOTQADSA-N 449.591 6.454 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(C(=O)O)cc1 1862714451 KINNLZHKQSABQL-QHCPKHFHSA-N 443.499 5.162 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(-c3ccccc3)cc2)=C(O)C(=O)N1Cc1ccco1 1862722565 UDFKABFOSZWRDW-SANMLTNESA-N 449.506 6.034 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(Nc3ccccc3C#N)=C(c3cccc4ccccc34)C2=O)c1 1862841559 UEEBMHUTMQBCFB-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE N#Cc1cccc(N2C(=O)C(Nc3ccc(Cl)cc3)=C(c3cccc4ccccc34)C2=O)c1 1862850211 NAMHKOCPEOEYNU-UHFFFAOYSA-N 449.897 5.761 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1C 1862878311 WTCQESSLWUHLMM-UHFFFAOYSA-N 441.918 5.534 30 10 IKEE Cc1cc(Cl)ccc1NC1=C(c2ccc(F)cc2F)C(=O)N(c2ccc(C#N)cc2)C1=O 1862944904 LSCCDPYBXCTTEK-UHFFFAOYSA-N 449.844 5.195 30 10 IKEE CCCCCCCCNC1=C(c2c[nH]c3ccccc23)C(=O)N(Cc2cccs2)C1=O 1863810345 BZIPOLWGGJVPBS-UHFFFAOYSA-N 435.593 5.460 30 10 IKEE CC(C)[C@H](CC(=O)N[C@@H](C(=O)Nc1ccccc1C#N)c1ccccc1)c1ccc(F)cc1 1866749232 RCXYHQIINQCCIT-JYFHCDHNSA-N 443.522 5.323 30 10 IKEE CC[C@@H]1Cc2cc(OC)ccc2N(c2cc(Nc3ccc(C#N)cc3)nc(C(C)(C)C)n2)C1 1868355340 GMBSFILUFKAJMB-GOSISDBHSA-N 441.579 6.118 30 10 IKEE CCCc1nc(Nc2ccccc2C#N)cc(N2CCC(Oc3cccc(CC)c3)CC2)n1 1868398064 HMBINDGBKCTDGQ-UHFFFAOYSA-N 441.579 5.655 30 10 IKEE CCCCC1CCC(C(=O)Nc2c(C#N)nnn2-c2ccc(Br)cc2C)CC1 1870153667 AFWCCSOCDYIADR-UHFFFAOYSA-N 444.377 5.145 30 10 IKEE CCCCCCCCn1cc(OC)c(=O)cc1CNc1cc(C(C)C)cc(C(C)C)c1 1870997710 VXCSUOKEUSEGFH-UHFFFAOYSA-N 426.645 7.076 30 10 IKEE C=CCn1cc(OCCCOc2ccc(OC)cc2)c(=O)cc1CNc1ccccc1CC 1871041436 AQVWWCIBDCLGQA-UHFFFAOYSA-N 448.563 5.065 30 10 IKEE C=CCn1cc(OCCCOc2ccc(OC)cc2)c(=O)cc1CNc1ccc(C)cc1C 1871042481 QOHVRCUHHIEMGB-UHFFFAOYSA-N 448.563 5.120 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN([C@H]2CCCC[C@@H]2C)C4)c1 1871351315 UMJLATCJXAWEOB-QJQPYVKGSA-N 449.547 5.359 30 10 IKEE Cc1ccsc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(CCCCc1ccccc1)C3 1871354548 TUZGWJKYBOLBKT-HAHDFKILSA-N 445.584 6.156 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2c(Cl)cccc2Cl)C3=O)cc1C 1871372848 OKDKMGSCSPIEDU-UUYOSTAYSA-N 439.294 6.446 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc(C(C)=O)c4)ccc3C2=O)cc1 1871438589 GONLYLLXAHDQRQ-MXAYSNPKSA-N 441.483 5.085 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccccc4C)c3C)C2=O)cc1 1871453562 FOTYHWSOHQAIOU-IWIPYMOSSA-N 443.499 5.336 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)c1C 1871459711 YSPWCINTQDPRTN-FMCGGJTJSA-N 433.891 5.591 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(F)cc3F)n2)c(OCC)c1 1872784410 STADFQDBRAYFRO-GOSISDBHSA-N 442.487 5.305 30 10 IKEE Cc1cc(C)c(-c2csc([C@H](C#N)C(=O)c3cccc(Br)c3)n2)c(C)c1 1872785809 ACFMTTOIGKTJLL-QGZVFWFLSA-N 425.351 5.988 30 10 IKEE Cc1cc(C)c(-c2csc([C@@H](C#N)C(=O)c3ccccc3Br)n2)c(C)c1 1872786996 YJWABFXKAMFWLF-INIZCTEOSA-N 425.351 5.988 30 10 IKEE CCCCCCCCCCN1C[C@H](C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)CC1=O 1873007068 XVQJHIUAQBFUEC-HSZRJFAPSA-N 449.639 5.773 30 10 IKEE C=CCN1C(=O)C(NC(c2ccccc2)c2ccccc2)=C(c2c(C)cc(C)cc2C)C1=O 1873121967 RKNWLQATRYFYED-UHFFFAOYSA-N 436.555 5.257 30 10 IKEE Cc1cc(C)c(C2=C(Nc3ccccc3C#N)C(=O)N(CCC3=CCCCC3)C2=O)c(C)c1 1873328818 VZEUOTLIGDOWCL-UHFFFAOYSA-N 439.559 5.566 30 10 IKEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3cc(Cl)ccc3C)c(=O)oc2c1 1873904661 WEKPBJZZXNMYJC-UHFFFAOYSA-N 425.912 5.589 30 10 IKEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3cc(C)ccc3OC(C)C)c(=O)oc2c1 1873958013 GLJRSRNIAFPSLU-UHFFFAOYSA-N 449.547 5.723 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1/N=C/c1cccs1 1874195145 ZQFXFXDCBGJDEZ-JJIBRWJFSA-N 440.638 5.809 30 10 IKEE CCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccccc1Cl 1874216610 YHMCDZKOUOKSPN-OEAKJJBVSA-N 435.380 5.591 30 10 IKEE CCCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1cccc(C)c1 1874217949 NRHJZRNOXWMIGM-ZMOGYAJESA-N 428.989 5.820 30 10 IKEE CCCSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1ccc(C(C)(C)C)cc1 1874260996 CXKHEZKEEOSVSG-VULFUBBASA-N 444.551 5.817 30 10 IKEE CCCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1cccc(OC)c1OC 1874271026 AJRXEQPWVISZMY-YZSQISJMSA-N 446.576 5.424 30 10 IKEE CCSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1ccc(Cl)cc1Cl 1874321037 WOLGBSSMMCKBNU-FOKLQQMPSA-N 435.380 5.775 30 10 IKEE C=CCSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874331543 RKXJYHVHLYLHKS-JFLMPSFJSA-N 444.526 5.859 30 10 IKEE CCCSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874359237 WTMKIRSSNHCCBB-ZMOGYAJESA-N 433.408 6.177 30 10 IKEE Cc1ccccc1/C=N/n1c(CCc2cccs2)nnc1SCc1cccc(F)c1 1874370233 OQNPGGLQDGLPOC-MFKUBSTISA-N 436.581 5.747 30 10 IKEE Fc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2/N=C/c2ccccc2)cc1 1874381746 HCXBLFQWDXLJFE-CVKSISIWSA-N 436.943 5.836 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(CCc3ccccc3)nnc2SCc2cccc(F)c2)c1 1874402047 FUYRNCBUYOBMME-JVWAILMASA-N 446.551 5.391 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2[C@@H]2CCCO2)cc1 1874446149 ULATUEIHOZXPSR-NFCNUSAFSA-N 441.000 6.081 30 10 IKEE Oc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C(F)(F)F)c1 1874462816 HIDKDOSNZBINMO-LIMNOBDPSA-N 447.269 5.484 30 10 IKEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3cc(C)ccc3C)nnc2-c2ccco2)cc1 1874463873 GGQKBLMKQPMDNV-AFUMVMLFSA-N 445.548 5.076 30 10 IKEE CCCSc1nnc(CCOC)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874473342 ZROWFQSEGWPHFS-BUVRLJJBSA-N 444.988 5.084 30 10 IKEE COc1cc(/C=N/n2c(CC(C)C)nnc2SCc2ccc(C)cc2)cc(Cl)c1O 1874486096 ALHMPKVCEHTDPK-WYMPLXKRSA-N 444.988 5.327 30 10 IKEE COc1cc(/C=N/n2c(SCc3cccc(C)c3)nnc2C2CCC2)cc(Cl)c1O 1874494144 RPCHEPJERRDSQI-WYMPLXKRSA-N 442.972 5.396 30 10 IKEE Brc1cccc(/C=N/n2c(SCc3ccccc3)nnc2C2CCC2)c1 1874495359 HIGKMIYZWQMVOJ-LPYMAVHISA-N 427.371 5.483 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2cc(C)ccc2C)cc1OC 1874573115 WORZVWQAZFJMNC-ACCUITESSA-N 432.516 5.804 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2cc(C)ccc2C)cc1 1874574161 YFWDYJIIQPANQA-ISLYRVAYSA-N 428.572 7.130 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc1OCc1cccc(F)c1 1874601090 SGSWAGCLMKZRCD-RMKNXTFCSA-N 426.871 5.971 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 1874603738 CILMQMTVSSXUCJ-UKTHLTGXSA-N 447.918 6.602 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(OC)c1OCc1cccc(F)c1 1874613219 IVEJJRBRHBWTNQ-IZZDOVSWSA-N 426.871 5.971 30 10 IKEE C=C(C)COc1c(Br)cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1OC 1874622460 ZMOLEBAJHZACAL-GQCTYLIASA-N 445.309 5.080 30 10 IKEE CCOc1c(Br)cc(/C=C/C(=O)c2ccc(F)cc2)cc1Br 1874625125 NKXXRIVCSIOPLV-FPYGCLRLSA-N 428.095 5.646 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OCc1c(Cl)cccc1Cl 1874633330 XDYHIFACHPEQIY-DHZHZOJOSA-N 441.354 7.094 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OC(=O)Cc1ccc(C)c(C)c1 1874699084 CNQSRFLTIJQHGV-PKNBQFBNSA-N 434.919 6.010 30 10 IKEE Cc1cc(C(=O)/C=C/c2cccc(OC(=O)c3cc(Cl)ccc3Cl)c2)ccc1F 1874703850 KNVVVOZMPHUMOA-BJMVGYQFSA-N 429.274 6.556 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1OC(=O)c1ccccc1Cl 1874706272 YEVSMYNGUYFKKQ-OQLLNIDSSA-N 448.946 6.761 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1OC(=O)c1ccccc1Cl 1874707403 DJJWDXPOJUGWRN-RMKNXTFCSA-N 436.847 5.193 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)Cc2cc(C)ccc2C)c1 1874715229 JFVMQASGEGRENL-ZHACJKMWSA-N 448.946 6.318 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)c(OC)c2)cc1 1875100823 FUAZSBFRIJALFA-RQZCQDPDSA-N 442.555 6.670 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)Cc2ccc(Cl)cc2)c(Cl)c1 1875118713 KNKBQVBDEKNSDL-XYOKQWHBSA-N 441.310 6.046 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc(C)cc(C)c3)c(Cl)c2)cc1 1875129898 ZBAJLADSUOCZGF-VZUCSPMQSA-N 434.919 6.471 30 10 IKEE CC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccc(C)cc2)cc1Br 1875133372 RNNMBCSNHVMFLC-VMPITWQZSA-N 438.115 5.341 30 10 IKEE O=C(COc1cc(F)ccc1F)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1Cl 1875158173 JDQUVJKFXULJTB-XLUWADSXSA-N 446.808 5.638 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)COc1c(C)cccc1C 1875158579 CHNXRBVFKBWFGH-RIYZIHGNSA-N 448.490 5.722 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC)c(OCC)c2)cc1 1875161246 HASPEXHJRPYLCK-GZTJUZNOSA-N 438.564 6.646 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2cccnc2)cc1 1875167472 BATXZXFEXNZIKX-RMKNXTFCSA-N 428.271 5.512 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc([N+](=O)[O-])c1OC(=O)C(C)C 1875171383 ULTZDGLJVSAMLJ-CMDGGOBGSA-N 441.480 5.076 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c(Cl)c2)cc1C 1875175529 UJTBYSRQHXFLSJ-BJMVGYQFSA-N 449.890 6.289 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2cccnc2)c(Cl)c1 1875180937 GLVUHZIPYTZXTJ-FNORWQNLSA-N 442.298 5.821 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)c1cncc(C)c1 1875189913 CREVZRUDQDQOLV-XVNBXDOJSA-N 442.298 5.821 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1 1941060683 DLMBRORZIXLDBA-CYFREDJKSA-N 431.577 5.568 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]2CCCCN2C(=O)OC(C)(C)C)cc1 1944735902 IIPPSPLHGMUWNA-WOJBJXKFSA-N 429.561 5.418 30 10 IKEE Cc1ccc(C#N)c(NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)c1 1959291004 WMFNDYPFOFUZJC-UHFFFAOYSA-N 427.504 5.139 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 1993189116 OUULTTYMOJVMBT-QAPCUYQASA-N 435.952 5.231 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CN(C(=O)OC(C)(C)C)CC2(C)C)cc1 1996502363 CGFQRBSQZZVSGX-DEOSSOPVSA-N 429.561 5.276 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@]1(C#N)CCCC[C@H]1OCc1ccccc1 1998814826 OYWWSVLPBCNCCN-RDGATRHJSA-N 440.971 6.503 30 10 IKEE C=CC1(C[C@@H](O)CC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)CCC1 2002633288 MNXUOKFRTMDVDM-JOCHJYFZSA-N 428.617 5.043 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C12CCC(CC1)N(C(=O)OC(C)(C)C)C2 2009103674 RQHLLPFEFHELOZ-SBRHDKPSSA-N 428.617 5.307 30 10 IKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCN(C(=O)OC(C)(C)C)C12CCCC2 2024623875 KGYCZSVKRGODFT-HOYKHHGWSA-N 435.609 5.628 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@@H](NC(=O)OC(C)(C)C)C(C)C 2028028071 RDUFOVXZLARSKG-CYFREDJKSA-N 447.576 5.268 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@](C#N)(N(C(=O)OC(C)(C)C)c3ccc(F)cc3)[C@H]2C1 2032047165 ZBZNOPKAXZSABW-TVVUZDRGSA-N 445.535 5.106 30 10 IKEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2033649352 JXZRUSUEUWJSQY-YLJYHZDGSA-N 449.567 5.646 30 10 IKEE CC(C)[C@@H]1CC[C@@H](C)C(=CNc2ccccc2NC=C2C(=O)[C@@H](C(C)C)CC[C@H]2C)C1=O 2052073701 DKFUOMWETOKXBE-YSFYHYPLSA-N 436.640 6.821 30 10 IKEE CCOC(=O)c1c(C)oc2c1C(=CN=c1[nH]c3ccccc3s1)C(=O)c1ccccc1-2 2053527955 YJMACYTZBJJSIO-UHFFFAOYSA-N 430.485 5.113 30 10 IKEE C#CCC1(NCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCCC1 2071262597 LLUUGAOJCDGIAA-UHFFFAOYSA-N 425.572 6.270 30 10 IKEE CCc1ccc([C@H](n2nc(C(F)(F)F)c(/C=N/O)c2Br)C(C)(C)C)cc1 2079138342 IJVOGZQWOZVMBD-MQEPLNOPSA-N 432.284 5.670 30 10 IKEE Fc1c(F)c(F)c(-c2c(C(F)F)nn3c(Cl)c4c(nc23)CCCCC4)c(F)c1F 2081356685 ABGNBUKGQKGSON-UHFFFAOYSA-N 437.746 5.952 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)[C@H]1[C@@H]2[C@@H]1CCC2(F)F 2119359879 RGETUSGKVQLHID-WCVJEAGWSA-N 427.289 5.374 30 10 IKEE C[C@@H](Nc1cc(Br)cc(F)c1C#N)[C@H](NC(=O)OC(C)(C)C)c1ccco1 2172874476 PFLGZMLPJSIMJF-DIFFPNOSSA-N 438.297 5.119 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(F)cc(C(=O)Nc2ccc(Br)cc2C#N)c1 2181157118 YINPMZOLYOCACU-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CN(C(=O)OC(C)(C)C)CC23CC3)cc1 2215219861 WIRRTPYHJHJAAQ-DEOSSOPVSA-N 427.545 5.030 30 10 IKEE C#CCN(C[C@@H](NCCC)c1sc(C)c(Br)c1C)C(=O)OC(C)(C)C 2218931484 NINNHLXWMLMFNJ-OAHLLOKOSA-N 429.424 5.038 30 10 IKEE C=CCCCCCCC[C@H](CCCN(Cc1ccccc1)C(=O)OC(C)(C)C)NCCC 2220080974 AHIMTLADLQUTDX-AREMUKBSSA-N 444.704 7.489 30 10 IKEE C=CCCC1([C@@H](CCCOCc2ccccc2)NCCC)CN(C(=O)OC(C)(C)C)C1 2247405746 BVRNVNADASVCBP-HSZRJFAPSA-N 430.633 5.555 30 10 IKEE C=C(C)CCCC[C@@H](O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2271757198 YZMVPXOEJHTPED-RBUKOAKNSA-N 426.395 5.382 30 10 IKEE CC1(C)OB(c2cccc(COCc3cc(Br)ccc3Cl)c2)OC1(C)C 2295172331 WOSGOPPQBSETKT-UHFFFAOYSA-N 437.570 5.119 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H](CC(C)(C)C)NC(=O)OC(C)(C)C 2296310027 DKOCTIUACLFTHI-RBUKOAKNSA-N 437.422 5.108 30 10 IKEE Cc1ccc(-n2cc(C=NNC(=S)Nc3cccc(C)c3)c(-c3ccccc3)n2)cc1 2296405322 XPOAXALHQDTAKN-UHFFFAOYSA-N 425.561 5.477 30 10 IKEE COc1ccc(OC)c(C=C2Oc3cc(OCc4c(F)cccc4Cl)ccc3C2=O)c1 2296866076 VLQVXLSZAIYTGH-UHFFFAOYSA-N 440.854 5.692 30 10 IKEE CCCCCCCC1=NN2C(=N)C(=Cc3cc(Cl)c(O)c(Cl)c3)C(=O)N=C2S1 2297463254 VQEACJSJGZUGLJ-UHFFFAOYSA-N 439.368 5.679 30 10 IKEE CCN1C(=O)C(=C2Sc3ccc(OC)cc3N2CC)SC1=Nc1ccc(C)cc1 2297707771 JUOPEWHRSWSFMR-UHFFFAOYSA-N 425.579 5.388 30 10 IKEE CCOc1ccc(-c2ccc(C=CC(=O)n3cc(C#N)c4ccccc43)o2)c([N+](=O)[O-])c1 2314013917 FYTKXBWEWGJMRP-UHFFFAOYSA-N 427.416 5.433 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)cc3)c(OC)c2)c(OC)c1 2314429707 MTKKTWGRSGNECX-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)c1 2321306153 WSFHZGKOEKHGGS-VQTJNVASSA-N 441.572 5.418 30 10 IKEE Cc1c(OCC=Cc2ccccc2)ccc2c1OC(=Cc1ccccc1Br)C2=O 2321817162 YYJSACRXXJFWEO-UHFFFAOYSA-N 447.328 6.466 30 10 IKEE Cc1c(OCc2ccc(Br)cc2)ccc2c1OC(=CC=Cc1ccccc1)C2=O 2321844654 MXSZHYIGZQFBIM-UHFFFAOYSA-N 447.328 6.509 30 10 IKEE CCOc1cc(C=Nn2c(S)nnc2CC(C)C)ccc1OCc1ccccc1Cl 2321888421 XNIFMNLRLFTZJH-UHFFFAOYSA-N 444.988 5.279 30 10 IKEE Fc1ccc(COc2ccc3ccccc3c2C=Nn2c(S)nnc2[C@@H]2CCCO2)cc1 2321934992 DZSMCMBJJQPYAY-QFIPXVFZSA-N 448.523 5.172 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(N(C)C)cc1)C3=O)CN(Cc1ccccc1)CO2 2322312429 ORYADLHPTMAKIM-UHFFFAOYSA-N 426.516 5.029 30 10 IKEE O=C(C=Cc1c(OCCc2ccccc2)ccc2ccccc12)c1ccc(Cl)cc1Cl 2322383882 AEKHGUAHMOUPCX-UHFFFAOYSA-N 447.361 7.664 30 10 IKEE Cc1cccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3cc(C)ccc3C)C4)C2=O)c1 2322412962 PKADAKORPLDGMK-UHFFFAOYSA-N 425.528 5.889 30 10 IKEE COc1cccc(C=CC(=O)c2ccccc2Cl)c1OCC(=O)Nc1ccc(F)cc1 2322437113 NQLYEKHVIYKMAB-UHFFFAOYSA-N 439.870 5.401 30 10 IKEE O=C(C=Cc1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)c1cccc(Cl)c1 2322524885 ULNPBKLHPXTAEU-UHFFFAOYSA-N 443.886 6.877 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12 2322641954 BTPJQBBYXHUOQK-UHFFFAOYSA-N 426.487 6.771 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)OCC(C)C)c(C)c1C 2322823304 XIDBCGRDHAEXRU-UHFFFAOYSA-N 430.928 5.440 30 10 IKEE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2c(F)cccc2Cl)C3=O)cc1 2323057391 GJTQVYFBHLUORN-UHFFFAOYSA-N 434.850 6.023 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc3C2=O)c1 2323203629 NDEPUFKZMWHTKY-UHFFFAOYSA-N 446.502 6.349 30 10 IKEE Cc1c(OC(=O)c2ccc(OC(C)C)cc2)ccc2c1OC(=Cc1ccc(F)cc1)C2=O 2323813507 UGSKWYFHMKZHNU-UHFFFAOYSA-N 432.447 5.757 30 10 IKEE Fc1ccc(-c2csc(NN=Cc3ccc(OCc4ccccc4)c(Cl)c3)n2)cc1 2323854610 CEOCEDHYBPGZIZ-UHFFFAOYSA-N 437.927 6.628 30 10 IKEE CCn1cc(C=C2Oc3cc(OCCOc4ccccc4)cc(C)c3C2=O)c2ccccc21 2324220418 DQIJBDKRCXGTAR-UHFFFAOYSA-N 439.511 6.044 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2C)C3=O)c1 2324464627 QJUYPYBSZIBLME-FQEVSTJZSA-N 441.527 5.942 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@H](C#N)C(=O)C=Cc2cccc([N+](=O)[O-])c2)n1 2324725839 ZWBFHOJATXMOLW-LJQANCHMSA-N 433.489 5.233 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(C(C)C)cc3)n2)c(OC)c1 2324760633 IEGFHEZKJYIFRK-NRFANRHFSA-N 432.545 5.840 30 10 IKEE Cc1ccc(NC(=O)CCOc2ccc3c(c2C)OC(=Cc2ccccc2C)C3=O)cc1 2325232110 GAIHDJIYLQRQAY-UHFFFAOYSA-N 427.500 5.636 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(OCc4ccccc4C#N)c3C)C2=O)c2ccccc21 2325352838 RTWZRBOVKLQUAJ-UHFFFAOYSA-N 434.495 6.037 30 10 IKEE Clc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccccc2)cc1 2325448567 AUHYBAVFJYFJKL-UHFFFAOYSA-N 432.980 5.891 30 10 IKEE Cc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccc(Cl)cc2)cc1 2325461697 KFQZRUUMWKKBIG-UHFFFAOYSA-N 447.007 6.200 30 10 IKEE Cc1cc(Cl)ccc1NC(=O)COc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O 2325716284 QYWIMSNAYCBISG-UHFFFAOYSA-N 445.902 5.838 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)c1 2325721704 ZUANVYXMCVFZBP-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2cccc(OC(=O)COc3ccc(Cl)cc3)c2)c1C 2325756838 FYAZJBLGYYNHGY-UHFFFAOYSA-N 448.946 6.454 30 10 IKEE COc1ccccc1CCC(=O)Oc1cccc(C=CC(=O)c2cc(C)cc(C)c2OC)c1 2325757734 AEVUGTFGRVMVOB-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1OC(=O)C1CCCC1 2325766364 SMGPEKITTMMTGG-UHFFFAOYSA-N 449.330 6.002 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)CCCSC)c2)cc1Cl 2325767875 RIRBYXBTKDMAFK-UHFFFAOYSA-N 434.941 5.302 30 10 IKEE C=CCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1N=Cc1cccnc1 2325812482 WCPSABLNRYTKTO-UHFFFAOYSA-N 441.988 5.115 30 10 IKEE CCSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1ccccc1Cl 2325951351 XQILCDNPXPZJIJ-UHFFFAOYSA-N 435.778 5.279 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1c(F)cccc1Cl 2326417767 SWTAUEPBYOUUIN-UHFFFAOYSA-N 430.980 6.205 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccccn1 2327716062 VKGUIAXEEZRJAI-UHFFFAOYSA-N 449.583 5.900 30 10 IKEE CCSc1nnc(COc2cccc(C)c2C)n1N=Cc1ccc(Cl)cc1Cl 2328841370 YLMHQCAPXCKNHP-UHFFFAOYSA-N 435.380 5.775 30 10 IKEE CCSc1nnc(COc2cccc(C)c2C)n1N=Cc1c(OC)ccc2ccccc12 2328841452 UPSREOSCCQPRMK-UHFFFAOYSA-N 446.576 5.630 30 10 IKEE CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1cccc(OCc2ccccc2)c1 2329065249 LGOCUJNSFIJXLA-UHFFFAOYSA-N 448.979 5.705 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2Cl)n1N=Cc1cccc(O)c1 2330112945 KGBUJRXCJSFYEV-KRWDZBQOSA-N 448.979 5.963 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(O)cc1 2330136880 MBTGRYTXBHKBDM-QGZVFWFLSA-N 448.979 5.963 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)C=Cc1ccc(C)cc1 2330284631 AFWVHVQBYGXQPJ-VWLOTQADSA-N 438.587 5.352 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccccc2)n1N=Cc1cccc([N+](=O)[O-])c1 2330634754 DRKARTVWUFJDFV-UHFFFAOYSA-N 429.505 5.336 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)COc1ccccc1 2330705006 HRHAYTZAGPVGEQ-UHFFFAOYSA-N 442.511 5.455 30 10 IKEE CCOc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccc(F)cc2)cc1 2330819428 MSCGZRBPVWVSOM-UHFFFAOYSA-N 426.561 5.579 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3C)c([N+](=O)[O-])c2)cc1C 2330867300 OHUYKGARAPKPMK-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3cccc(C)c3)c(OC)c2)cc1 2330954837 JDHUSQGPTBUOIF-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccccc3OC)cc2[N+](=O)[O-])c1 2331069223 MQEVZSTYIKQKTK-UHFFFAOYSA-N 447.443 5.117 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1[N+](=O)[O-])c1cccc(F)c1 2331093921 LGFTUONDCNUCBU-UHFFFAOYSA-N 427.334 5.127 30 10 IKEE C=CCSc1nnc(-c2ccco2)n1N=Cc1ccc(OCc2ccccc2)c(OC)c1 2331216182 WHKNGGVFUBXZRN-UHFFFAOYSA-N 446.532 5.286 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)CCCSC 2331256057 PZYJZBGNLSWUNU-UHFFFAOYSA-N 439.360 5.947 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])cc1 2331273304 AUJIBKIOPUSONV-UHFFFAOYSA-N 445.471 5.346 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)c3ccc(OCC(C)C)cc3)cc2)ccc1F 2331332751 IADGFTZVHDTOEZ-UHFFFAOYSA-N 432.491 6.284 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(SCc2ccccc2C)nnc1C(C)(C)C 2331370130 BTOLHTAWPPCYKW-UHFFFAOYSA-N 444.604 6.220 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)COc3ccc(C)cc3C)cc2)c1 2331378605 GXTTUNBRFQVYRW-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE CC(C)Cc1nnc(SCCc2ccccc2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2331456610 JSFFLJOBFOKRRD-UHFFFAOYSA-N 443.960 5.255 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OC(=O)Cc1ccc(C)cc1 2331484920 BZIHKRYUGXIDOR-UHFFFAOYSA-N 436.507 6.201 30 10 IKEE CCOc1c(C=Nn2c(SCCc3ccccc3)nnc2C2CCC2)cccc1OC 2331529170 MGRCGZOENVKDAG-UHFFFAOYSA-N 436.581 5.170 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)c1cccs1 2331532092 UVRQRJGKMYLDPT-UHFFFAOYSA-N 430.884 6.055 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1ccc(N(C)C)cc1 2331570950 PEMGKGXNBQDVJG-UHFFFAOYSA-N 437.442 5.155 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)CCCSC)cc1 2331636416 VDNUNHDGLMYYNA-UHFFFAOYSA-N 439.360 5.947 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OC(=O)c1ccco1 2331645504 HKVWGXYSQVASBF-UHFFFAOYSA-N 434.488 5.646 30 10 IKEE CCCC(=O)Oc1ccc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1Cl 2331812450 ZIZPUVJCLRMIRM-UHFFFAOYSA-N 427.711 6.257 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@](Nc3cc(Br)c(C#N)cc3F)(C2)C1 2358093199 HZUILADPRWIPRW-ZUOKHONESA-N 438.341 5.051 30 10 IKEE CC(C)c1ncccc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2367995179 HYOLFDBHPCFBTP-GOSISDBHSA-N 430.346 5.974 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H](Nc2ccc(C#N)c(Br)c2)[C@H]1C(F)(F)F 2370064483 NRTVHYWUXVUQKI-GJZGRUSLSA-N 448.283 5.063 30 10 IKEE O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccc3c(c1)OCO3)Nc1ccc3ccccc3c12 9601024 YDSDGVVXZWVWDR-URAOTHONSA-N 445.518 6.636 30 10 IKEE CN(C)c1ccc(-c2nc3n(n2)[C@@H](c2ccccc2Cl)C2=C(CC(C)(C)CC2=O)N3)cc1 9602019 AOSIQHVFWXGOAG-QFIPXVFZSA-N 447.970 5.323 30 10 IKEE CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)ccc1O 21219825 OVDYNYMQVCVDSU-MYUZEXMDSA-N 444.506 5.910 30 10 IKEE Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(Cl)cc2Cl)cc1 21223448 VYBZJYYVDKOCNW-MRDQGFSESA-N 449.381 7.281 30 10 IKEE C=CCOC(=O)c1sc(NC(=O)CCSc2cc(C)c3cccc(C)c3n2)nc1C 32529080 XDOXRNDJTBIDRN-UHFFFAOYSA-N 441.578 5.080 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)/C=C\c3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 33417151 FHDWDEJFAWUXBB-TYQNLQDCSA-N 440.455 5.086 30 10 IKEE CCCCOc1ccc(C(=O)/C(=C\c2ccc(C(C)C)cc2)c2nc3ccccc3o2)cc1 34890824 YBODEBHEIYPRLC-NCELDCMTSA-N 439.555 7.554 30 10 IKEE C=CCOc1ccc([C@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2CCCC)cc1 38705215 VUZZXYXPPWATNQ-VWLOTQADSA-N 431.536 5.309 30 10 IKEE C=CCSc1nnc(NC(=O)c2cc(Cl)c(OCCCCC)c(Cl)c2)s1 39869055 OIORCJVKOQPHKQ-UHFFFAOYSA-N 432.398 5.944 30 10 IKEE C=CCc1ccccc1OCCCCn1c(CNC(=O)c2ccco2)nc2ccccc21 40197151 CLMOBUUPLZXTRS-UHFFFAOYSA-N 429.520 5.147 30 10 IKEE COc1ccc2c(c1)c(/C=C1\Oc3cc(OC(=O)c4cccs4)cc(C)c3C1=O)cn2C 41283990 OFRRJWBXRKBHOI-FBHDLOMBSA-N 445.496 5.392 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3c(ccc(OC(=O)c4ccccc4C)c3C)C2=O)c1 41284684 JGEDWYGLDKDKFB-UCQKPKSFSA-N 430.456 5.156 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc4c3CN([C@@H](C)c3ccccc3)CO4)C2=O)c1OC 41660078 NGEWUWSFSNPXMS-PDESAOGPSA-N 443.499 5.233 30 10 IKEE O=C(/C=C\c1ccc(COc2ccccc2Br)o1)C12CC3CC(CC(C3)C1)C2 96576919 KCOGYQPRQBOSCW-FPLPWBNLSA-N 441.365 6.420 30 10 IKEE CCCCCCCCCCCCCCCCCC/N=C\c1ccc(N(CC)CC)cc1 103906763 WRLQXUXCZLGIEK-IKPAITLHSA-N 428.749 9.213 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2c2ccccc2C)c1 169936797 FZKFCVOBLGILJF-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)ccc1OC(C)C 169941588 PGPIDUPEIYJEDR-CFRMEGHHSA-N 438.553 5.400 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)CCc2ccccc2)=C(O)C(=O)N1c1ccc(C)c(C)c1 169943386 CWUCWSGGRQUCSB-AREMUKBSSA-N 441.527 5.414 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccc(O)cc2)c1 169960041 HHZYJQRVYVLPQV-XMMPIXPASA-N 443.499 5.191 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc(C)c1 169967252 MCBYQSFTMBGLCZ-DEOSSOPVSA-N 427.500 5.091 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2ccccc2)cc1 170028881 AEVCGINUVSEPPA-SANMLTNESA-N 449.506 6.021 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccccc2)c1 170047489 OTDFMOOHDNUGFY-QFIPXVFZSA-N 433.891 5.522 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2cccc(F)c2)c1 170140023 GUVYQTHIETXDNS-QHCPKHFHSA-N 426.447 5.398 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccc(C)c2)c1 170141980 GXBTXFUTBCWVHK-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@H]1c1cccc(C)c1 170147326 BRHRLNTULANYOH-RUZDIDTESA-N 449.591 6.286 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC(C)C)cc3)[C@@H]2c2ccncc2)cc1 170204499 CEMXUTPCRMSJAT-DEOSSOPVSA-N 442.515 5.208 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2ccccc2)cc1C 170227947 VVQIYMOSDIWITE-XMMPIXPASA-N 443.499 5.109 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@H]1c1ccccc1 170232508 YIEXYOAJTBNEJR-HXUWFJFHSA-N 432.545 5.497 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(F)cc1 170239904 ZMDCXTZGDBFTCT-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(F)cc2)c1 170242353 DAQIEFWYXRMJCX-NRFANRHFSA-N 443.902 5.399 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(Cl)c(Cl)c1 170246632 JJAYUPDPEHUBES-OAQYLSRUSA-N 440.326 6.135 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccco1)c1ccc(Cl)c(Cl)c1 170281687 FFNJZMMCAROOOX-SFHVURJKSA-N 432.234 5.508 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@H]1c1ccco1 170284099 BVHHUCUNOXMNQK-JOCHJYFZSA-N 449.890 5.349 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccco1 170284283 RFZCNGBERVUASY-OAQYLSRUSA-N 433.847 5.771 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(C)o2)cc1C 170299791 DHUPJUCCVQPOLP-JOCHJYFZSA-N 435.451 5.217 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC(C)C)cc3)[C@@H]2c2ccc(C)o2)c1 170300416 ZWAYLMNAEFURKP-DEOSSOPVSA-N 445.515 5.714 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cc4cc(Cl)ccc4o3)=C(O)C(=O)N2Cc2ccncc2)o1 170308017 IPDDNEMBYFNNIO-OAQYLSRUSA-N 448.862 5.161 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@@H]1c1c(C)[nH]c2ccccc12 170312299 RQKDBEBDYJOJCS-NRFANRHFSA-N 438.911 5.127 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1sccc1C 170315474 PHAXMKUOCSCZQH-NRFANRHFSA-N 429.497 5.894 30 10 IKEE CC1CCN(c2ccc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccco3)cc2)CC1 170400121 QTSVNXTXCIJIPB-DEOSSOPVSA-N 442.515 5.299 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc(Oc3ccccc3)cc2)[C@H]1c1ccc(O)cc1 170450087 RSTXHCNTEGFTDL-QHCPKHFHSA-N 443.499 5.700 30 10 IKEE CC(C)C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1cccc(OCc2ccccc2)c1 170457444 UZSWETLYHDDSPE-XMMPIXPASA-N 427.500 5.391 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)ccc1O 170464918 OHIMTNSCJFEJCL-JOCHJYFZSA-N 443.927 5.268 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1Cl)N2 226853776 LMUCTJPXITUQHT-WYEJZRMESA-N 430.419 8.169 30 10 IKEE CCCCCCCCSc1nc2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2s1 248273460 RBYDFXAPMDTYEB-LVNJIZSUSA-N 440.634 6.060 30 10 IKEE Cc1ccccc1OCCCn1cc(C=N/N=c2/[nH]c3ccccc3s2)c2ccccc21 254387322 UMDKFHHMWCZKTR-UHFFFAOYSA-N 440.572 5.896 30 10 IKEE CCCCCCCCC[C@@H](NC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 406833881 HAGDNBAXSZBZGL-HXUWFJFHSA-N 441.454 7.197 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@@H]2c2c[nH]c3ccccc23)cc1 526488433 OMTRTRDVFIYZDN-QHCPKHFHSA-N 425.875 5.750 30 10 IKEE CCCCOc1cccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2C#N)c1 526607151 NFTKJGJUKKVHIO-RUZDIDTESA-N 442.490 5.933 30 10 IKEE CCCCOc1ccc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526607365 VJNNUQSJODVKNZ-QHCPKHFHSA-N 430.529 5.856 30 10 IKEE N#Cc1ccccc1NC1=C(Sc2ccc(Cl)cc2)C(=O)N(c2ccc(F)cc2)C1=O 526663803 YFNYLRLQMXCMBC-UHFFFAOYSA-N 449.894 5.340 30 10 IKEE CCCCCCCOc1ccccc1/C=N\n1c(CC)nnc1SCc1ccccc1 526800172 UNALKPJUFYUSRJ-XHPQRKPJSA-N 436.625 6.364 30 10 IKEE Cc1ccc(CSc2nncn2/N=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 526803856 RRYRMGJZWPCILL-VYYCAZPPSA-N 436.625 6.062 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccc(C(C)C)cc1 526818238 XSFILRMRCOAXOO-WGARJPEWSA-N 445.007 6.711 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccncc2)c1 526819173 DDRQOSVZNYNKJB-PKAZHMFMSA-N 427.577 5.250 30 10 IKEE CCCCc1nnc(SCc2ccc(Br)cc2)n1/N=C\c1cccs1 526820433 QIGLUUXLQAVIBN-NDENLUEZSA-N 435.416 5.619 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1ccc(OC(C)C)cc1 526823822 VDYWMYJVHUMOAX-KSEXSDGBSA-N 435.380 5.855 30 10 IKEE Cc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2cccc(OC(F)(F)F)c2)cc1 586202012 AJANUIOKJQPUQQ-UHFFFAOYSA-N 446.450 5.161 30 10 IKEE C=CCN(CC=C)C(=O)Nc1ccc(C(=O)Nc2ccc(Br)c(C)c2)cc1 586661036 AGZBXJVAQZQTEP-UHFFFAOYSA-N 428.330 5.216 30 10 IKEE C=CCCCCC[C@@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 693684506 MTPZEANJTCVIKO-SQHAQQRYSA-N 443.676 5.661 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@]1(C#N)CCc2c(Br)cccc21 698406323 KKIXBIPJNNEIGH-QFIPXVFZSA-N 427.342 5.551 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@](C)(C#N)[C@@H]1CC2CCC1CC2 698442087 DBBMUMSCABCDFA-JSHJWVOOSA-N 433.390 6.299 30 10 IKEE C[C@H]1[C@H]2CC[C@@H](C[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1)N2C(=O)OC(C)(C)C 709318435 QNSKGZLADLASQV-DMEDLEQBSA-N 447.620 5.626 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(Cl)ccc1Br 710806892 KEXRHDZUMFADRM-GOSISDBHSA-N 435.749 6.417 30 10 IKEE CSc1ccc(-c2nn(-c3ccc(C)cc3)cc2/C=C/C(=O)c2ccc(F)cc2)cc1 725330975 NIJJJANTLATUTB-CXUHLZMHSA-N 428.532 6.605 30 10 IKEE N#Cc1ccc(/C(O)=C(/C(=S)Nc2ccc3c(c2)CCC3)[n+]2cc(O)cc(Cl)c2)cc1 762440650 OCWWLHGTYOFQPG-UHFFFAOYSA-O 448.955 5.017 30 10 IKEE COc1cccc(C(CSc2nc3ccccc3[nH]2)=NNc2ccc([N+](=O)[O-])cc2)c1 1083941396 WFSMCZYHNQRFKK-UHFFFAOYSA-N 433.493 5.088 30 10 IKEE CC(C)(C)c1ccc(Oc2ccc(C(F)(F)F)cc2N=Cc2cc(Cl)ccc2O)cc1 1084591808 JLDOCEWYYUYQHL-UHFFFAOYSA-N 447.884 7.905 30 10 IKEE Cc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2c1C(=NNc1ccccc1)CC(C)(C)C2 1772728482 IHBMBUFDRJZVBG-UHFFFAOYSA-N 431.492 5.358 30 10 IKEE O=C1/C(=C/c2c(Cl)cccc2Cl)SC(=Nc2nccs2)N1C1CCCCC1 1772733214 IFVOFDYECVLOHB-GJXXPDGXSA-N 438.405 6.387 30 10 IKEE Cc1cccc(-n2cc(/C=N\NC(=S)Nc3ccccc3)c(-c3ccc(C)cc3C)n2)c1 1857810064 NXRTUFVWBPKPQA-YUMHPJSZSA-N 439.588 5.785 30 10 IKEE CC(C)Cc1c(Cl)c(C(=O)Nc2ccc(C#N)cc2)nn1Cc1ccc(C(C)(C)C)cc1 1859379678 WPHPQCQABQBBMY-UHFFFAOYSA-N 448.998 6.205 30 10 IKEE N#Cc1cnn(-c2ccc3ccccc3n2)c1NC(=O)Cc1ccc(-c2ccccc2)cc1 1859649535 SYIKQUGNTXMIHY-UHFFFAOYSA-N 429.483 5.140 30 10 IKEE CC(C)N(C(=O)Cc1c(F)cccc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1859876228 LWAJHIWKQDYPKQ-UHFFFAOYSA-N 425.319 5.987 30 10 IKEE N#Cc1ccccc1NC(=O)c1cccc(NC(=O)CCc2ccc(Br)cc2)c1 1860887361 IAJVXQDEMFKATC-UHFFFAOYSA-N 448.320 5.144 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@@H]2c2c(F)cccc2Cl)cc1 1862396594 IZLVYELBOJCUAC-JOCHJYFZSA-N 443.946 6.200 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2cc(C)ccc2C)c1 1862411900 QXGCKNNGIAHSII-DEOSSOPVSA-N 447.481 5.669 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@@H]1c1ccccc1F)c1cccc(Cl)c1 1862442234 HUFBSCPEOVYMKG-JOCHJYFZSA-N 439.914 5.948 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1Cl)c1cccc(Cl)c1 1862446579 VZAMHNXISDQYSL-LJQANCHMSA-N 428.271 5.365 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 1862448494 OMUQZNZHIQMYBB-NRFANRHFSA-N 448.862 5.027 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1c(F)cccc1Cl 1862459515 BHGFCGBEKPBSEY-YYSFKGJASA-N 441.808 5.273 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cccc(OC)c1 1862489314 URLZQCSTMNUPRM-RUZDIDTESA-N 449.591 6.251 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCCCC2)cc1O 1862492345 PCVLZYHOTTXGNC-XMMPIXPASA-N 449.547 5.319 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc3cc[nH]c3c2)ccc1F 1862504578 XLRMVWWBZQTNPR-HSZRJFAPSA-N 432.495 5.526 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccccc2F)cc1 1862530619 UQLGNQPFPYUSNO-XDHUDOTRSA-N 429.491 5.728 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2cccc3ccccc23)cc1 1862531201 ILDOGWZXATZUMK-VWLOTQADSA-N 443.543 5.143 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1cccc(Cl)c1 1862535180 BJJOYMLARDGCHS-JOCHJYFZSA-N 425.956 6.061 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(Cl)cc1 1862591668 LVFSCRAQIAOJBS-SIKLNZKXSA-N 441.955 5.983 30 10 IKEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(C(C)C)cc1 1862615410 JWPUKHIDHWFVKW-HSZRJFAPSA-N 435.564 5.332 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(O)cc1 1862662737 LOUVLEJUCYHSFO-RCZVLFRGSA-N 449.591 6.453 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@@H]1c1ccccc1)c1ccc2ccccc2c1 1862713342 MVMRYAPCVAXQJW-RUZDIDTESA-N 437.470 5.757 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1c(F)cccc1Cl 1862719034 HRXPZXNZZSABNY-RCDICMHDSA-N 437.898 6.009 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccccc3Cl)C2=O)cc1C 1862881923 MPEULKDYIGQDJM-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(Cl)c3C)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862897179 AICHKENOTBFAEY-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccccc2OC)=C(c2ccc(C)cc2)C1=O 1863268890 RQAONCVVURNDIM-UHFFFAOYSA-N 448.607 6.336 30 10 IKEE CCCCCCCCCCNC1=C(c2cccc3ccccc23)C(=O)N([C@H](C)CC)C1=O 1863582218 HMASEQHLCAKZGE-OAQYLSRUSA-N 434.624 6.449 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)O 1866342784 YUFHKEOVFBBZHH-AREMUKBSSA-N 443.672 7.286 30 10 IKEE CC(C)[C@@H]1c2ccccc2CCN1c1cc(Nc2cccc(C#N)c2)nc(C(C)(C)C)n1 1868332868 OHASNYMGBPYVLG-RUZDIDTESA-N 425.580 6.149 30 10 IKEE Cc1cc(Cl)ccc1-n1nnc(C#N)c1NC(=O)CCCOc1ccc2ccccc2c1 1870144528 CYDKTLYBWNRUNH-UHFFFAOYSA-N 445.910 5.052 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2F)c(CN(CCC)CCCC)cc1=O 1870416766 NXJXNERNVQHWAD-UHFFFAOYSA-N 444.635 6.397 30 10 IKEE C=CCOc1cn(CCc2c[nH]c3ccccc23)c(CNc2ccc(Cl)cc2)cc1=O 1870808978 JRFVGDAQDYOVTB-UHFFFAOYSA-N 433.939 5.403 30 10 IKEE C=CCOc1cn(Cc2ccccc2C)c(CNc2ccc(Cl)c(Cl)c2)cc1=O 1870809561 JGXIGKXSVYBYRN-UHFFFAOYSA-N 429.347 5.689 30 10 IKEE C=CCn1cc(OCc2cccc(Cl)c2)c(=O)cc1CNc1ccc(C)c(Cl)c1 1870827722 UKCYZGFDWHSFRZ-UHFFFAOYSA-N 429.347 5.841 30 10 IKEE C[C@H]1CCCC[C@@H]1N1COc2ccc3c(c2C1)O/C(=C\c1ccc(C(C)(C)C)cc1)C3=O 1871350565 LDNILUZAYKPXGV-RYNXUDNVSA-N 431.576 6.331 30 10 IKEE COC(=O)c1ccc(/C=C2\Oc3c(cc4c(c3C)OCN([C@H]3CCCC[C@@H]3C)C4)C2=O)cc1 1871356128 WOXGDILIJKVGJU-RONOTJBNSA-N 447.531 5.128 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O)c1cc(Cl)ccc1Cl 1871381037 JXZRZCPYOAOFPD-UKWGHVSLSA-N 445.685 6.482 30 10 IKEE CCOC(=O)CCOc1ccc2c(c1C)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 1871411002 AWIPQUCDXWRUHB-ULJHMMPZSA-N 428.484 5.610 30 10 IKEE Cc1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccncc2)C3=O)c1C 1871413407 FVOBCIKXILXDGT-NLKUQUHMSA-N 428.488 5.029 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCCOc4ccc(OC)cc4)cc(C)c3C2=O)cc1 1871414150 ALDCHQRHAXQDEP-XYGWBWBKSA-N 430.500 5.640 30 10 IKEE CCCC[C@@H](Oc1ccc2c(c1C)O/C(=C\c1cn(CC)c3ccccc13)C2=O)C(=O)O 1871423469 SVUJXJMHQREEFY-QPHMKDBKSA-N 433.504 5.608 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4c(C)cccc4C)cc(C)c3C2=O)cc1 1871430560 KJVHTCDQQUMMMO-DEYGKZMTSA-N 441.527 5.942 30 10 IKEE CC(=O)Nc1ccc(C(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2C)C3=O)cc1 1871432882 QCYKTKZDSAGMJG-QFEZKATASA-N 441.483 5.140 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(CCCC)cc1)[C@@H](C)CC)S(=O)(=O)c1cccs1 1871830944 ARBGXHQJOLZXGC-PGRDOPGGSA-N 448.654 5.321 30 10 IKEE CCCCCCCCNC(=O)[C@@H](NS(=O)(=O)c1c(C)cc(C)cc1C)c1ccccc1 1872605039 KXFIFGGJZHQFGR-QHCPKHFHSA-N 444.641 5.108 30 10 IKEE COc1ccc(Br)cc1-c1nc2ccc(C(=O)Nc3cccc(C#N)c3)cc2[nH]1 1872735459 VYMRSAKGKBNYPQ-UHFFFAOYSA-N 447.292 5.125 30 10 IKEE N#C[C@H](C(=O)Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872763215 HEDPGFKJYDPCEP-CQSZACIVSA-N 432.288 5.444 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)/C(=C\c3ccccc3)c3ccccc3)n2)c(C)c1 1872769166 LGIQLVXWIGKLIQ-HZRUTDPJSA-N 434.564 6.844 30 10 IKEE CCOc1ccc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc1OC 1872783863 JRYJZBHNGXTZGO-HXUWFJFHSA-N 434.561 5.643 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@H](C#N)C(=O)/C=C/c2ccc(C(C)C)cc2)n1 1872788104 DBOQIAMHELSYPH-CLOLKSBNSA-N 436.964 6.485 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(F)ccc2F)=C(c2cc(F)cc(F)c2)C1=O 1873318392 PRKTXXIBIWEJTQ-UHFFFAOYSA-N 448.460 5.796 30 10 IKEE N#Cc1ccccc1Nc1nc(N2CCc3ccccc32)nc2c1cnn2-c1ccccc1 1873482377 VFBKDLCYALOFAR-UHFFFAOYSA-N 429.487 5.125 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)cc2C)cc2c(NCc3ccccc3)ncnc21 1873609138 WGFQMWNPVLZWSP-UHFFFAOYSA-N 431.927 5.444 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C(F)(F)F)c2)cc2c(N3CCC(C)CC3)ncnc21 1873644249 GYNZCSHYQOXCNZ-UHFFFAOYSA-N 443.473 5.125 30 10 IKEE CCCCC1CCC(C(=O)NC2=C(c3nc4ccccc4s3)C(=O)CN2CCC)CC1 1873710420 DDCLPSNKVLUBBL-UHFFFAOYSA-N 439.625 5.372 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](C)Oc1ccc2c3c(c(=O)oc2c1C)CCC3 1873935108 IJRHJCCKFQYMRT-IBGZPJMESA-N 427.585 5.614 30 10 IKEE CCCOc1cccc(/C=N/n2c(COc3cc(C)c(Cl)c(C)c3)nnc2SC)c1 1874215502 PTXNDIRVPYEGOG-ZMOGYAJESA-N 444.988 5.520 30 10 IKEE C=CCSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1c(F)cccc1Cl 1874328423 NTCRGZIVTBVBGL-WYMPLXKRSA-N 430.936 5.427 30 10 IKEE COc1ccc(/C=N/n2c(CCc3cccs3)nnc2SCc2ccccc2)cc1 1874371522 DEOWUSHYHVBWEQ-LFVJCYFKSA-N 434.590 5.308 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1c(Cl)cccc1Cl 1874379882 QZHLTXAJGMFOLM-BHGWPJFGSA-N 435.355 5.865 30 10 IKEE CCCOc1c(/C=N/n2c(Cc3ccc(C)cc3)nnc2SCCC)cccc1OC 1874390263 DKSMIACCCHBJEO-KOEQRZSOSA-N 438.597 5.359 30 10 IKEE Fc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCc2ccc(Cl)cc2)cc1 1874413723 HZQZHHYFMHYNMP-ZMOGYAJESA-N 442.972 5.897 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2)nnc1-c1ccccc1 1874429320 DILRGFZXHJZNER-MFKUBSTISA-N 434.952 5.782 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCCC)cc1OC 1874439982 CTLSGSFYTHUHJF-JJIBRWJFSA-N 432.634 5.829 30 10 IKEE C=C(C)CSc1nnc(C2CCCC2)n1/N=C/c1ccc(OCCC)c(OCC)c1 1874454988 VNCMERYXRKZJRK-BUVRLJJBSA-N 428.602 5.674 30 10 IKEE CCOc1cc(/C=N/n2c(CC(C)C)nnc2SCc2cccc(Cl)c2)ccc1O 1874492167 BSDPMJSRQCEVKN-ZMOGYAJESA-N 444.988 5.409 30 10 IKEE CCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874506708 QNFGKWDMDOVXTB-BUVRLJJBSA-N 437.569 5.611 30 10 IKEE Sc1nnc([C@H]2CCCO2)n1/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 1874560135 IKNJFUDJFQZZHD-TYLRVVQJSA-N 449.363 5.186 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OCC(=O)Nc1ccc(C)cc1C 1874594568 QZTYGNTVCMJGJA-JLHYYAGUSA-N 445.515 5.234 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc1OCc1ccc(C)cc1 1874598192 ZNZHBPBIPGCVFZ-SDNWHVSQSA-N 444.571 6.785 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(OC)c1OCc1ccccc1F 1874602266 CMRISALMLSCOMD-SDNWHVSQSA-N 442.486 6.471 30 10 IKEE C=C(C)COc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1Br 1874609911 QYEHJPCMKDGWIN-SOFGYWHQSA-N 436.143 6.063 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OCc1cccc(C)c1 1874618669 NBZRVHFTSGBRAN-BUHFOSPRSA-N 426.556 6.824 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)ccc1OCc1ccccc1F 1874622269 VJWQQGGKRHAWAN-JXMROGBWSA-N 434.463 5.471 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)c1)c1ccc(F)cc1F 1874699984 WADLHPYURPGDCY-WTUWHVHBSA-N 438.857 6.223 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3cccc(C)c3C)c2)cc1 1874701766 JJAMHRCAJAJJHA-LFIBNONCSA-N 444.527 5.973 30 10 IKEE Cc1cc(C(=O)Oc2cccc(/C=C/C(=O)c3cccc4ccccc34)c2)ccc1[N+](=O)[O-] 1874708086 LUFGLMHEGWEVDV-NTCAYCPXSA-N 437.451 6.172 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccccc2)CSc2nnc(Cc3ccccc3)n21 1874957266 WKSSUHCVGJILAU-QHCPKHFHSA-N 448.636 5.931 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)CCCCCC 1875122241 JNQVLXZBAQOIIG-SDNWHVSQSA-N 442.502 6.474 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2OC)cc1 1875125645 STORYPKVVWCWRK-LNKIKWGQSA-N 436.891 5.863 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)COc1c(C)cccc1C 1875128021 JUJIMQNGOMHEIL-BUHFOSPRSA-N 446.499 5.201 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)c3cncc(C)c3)c(Cl)c2)c1 1875145183 DNXOJPNXRNGYFM-QPJJXVBHSA-N 437.879 5.176 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)c1ccc(F)cc1 1875147675 GBFSMHRATNENPI-XCVCLJGOSA-N 448.446 5.111 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)ccc1OC(=O)c1cncc(C)c1 1875190315 SUAUGSFXRVNQPY-VQHVLOKHSA-N 445.515 5.529 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)ccc1OC(=O)C(F)(F)F 1875191806 FKUOWYSCVFTESF-JXMROGBWSA-N 430.378 5.221 30 10 IKEE Cc1c(C(=O)N2CCC(C#N)(c3ccccc3)CC2)c(-c2ccccc2)nn1-c1ccccc1 1891767189 LEHDJZIUMFLXLA-UHFFFAOYSA-N 446.554 5.545 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1C[C@H]2C[C@H]1C[C@@H]2NC(=O)OC(C)(C)C 1922068316 HXCDCPUVFQIJPC-HTUFRPJOSA-N 428.617 5.067 30 10 IKEE C=CC[C@H](C)Nc1cc(Br)c(I)c(Br)c1 1931650939 VDPXGHALUBETTG-ZETCQYMHSA-N 444.936 5.193 30 10 IKEE c1ccc(N=C2OC3(c4ccccc4-c4ccccc43)C2(c2ccccc2)c2ccccc2)cc1 1933234249 HSDIYKJILMDNGT-UHFFFAOYSA-N 449.553 7.657 30 10 IKEE CC(C)(C)OC(=O)NCC(C)(C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1939079592 MJRGVAGRNIUEEY-KRWDZBQOSA-N 437.968 5.525 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCC[C@H]2NC(=O)OC(C)(C)C)c1 1943892882 IWXYDBRZMDAEAV-NTKDMRAZSA-N 429.561 5.466 30 10 IKEE CCCCCCCCCC[C@@H](O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 1947469437 KKXGARNBHKJXIQ-XMMPIXPASA-N 434.665 5.905 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C1(C)C 2014806903 IHZMAGQMZYUDAG-QHCPKHFHSA-N 449.617 5.557 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2ccccc2NC(=O)OC(C)(C)C)cc1 2031833333 BADFWXXTJIVUBI-NRFANRHFSA-N 437.540 6.348 30 10 IKEE C[C@@H](N(Cc1ccccc1)Cc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1)C(C)(C)C 2034763123 GBTZGZCWWSWTGT-LJQANCHMSA-N 425.397 5.562 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)[C@H]2CC[C@H]21 2057587259 VONGSPDVQJHEDC-XLNZFTOWSA-N 445.535 5.249 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1CCC2(CCC2)N(C(=O)OC(C)(C)C)C1 2067079869 UZRCOAIGBVFMJR-BJKOFHAPSA-N 442.644 5.697 30 10 IKEE CCc1nn([C@@H](c2ccc(C(C)C)cc2)C2(C)CC2)c(I)c1C#N 2079896808 ONGLSFOLUHTQNF-SFHVURJKSA-N 433.337 5.435 30 10 IKEE C=CCC1(Nc2ccc(Br)cc2C(F)(F)F)CN(C(=O)OC(C)(C)C)C1 2106023088 BIBKGXWTFJLVSR-UHFFFAOYSA-N 435.284 5.445 30 10 IKEE N#Cc1c(F)cc(Br)cc1Nc1cc(Br)ccc1Br 2107446503 CSBGJXBQTMDJHN-UHFFFAOYSA-N 448.915 5.728 30 10 IKEE C=CCCCC[C@H](NCCC)c1cc(Br)ccc1I 2123088013 GKBOOPGUYHFUND-INIZCTEOSA-N 436.175 5.841 30 10 IKEE C=CCCCCCC[C@H](NC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2141907955 JTBIMYIGKHYOOM-NDEPHWFRSA-N 443.631 7.632 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CC12CCC(Nc1ccc(C#N)cc1Br)CC2 2158249757 JQKDRMFSUUOFJZ-IZINQKCZSA-N 434.378 5.206 30 10 IKEE CCN(Cc1ccccc1Nc1cccc(Br)c1C#N)C(=O)OC(C)(C)C 2162412112 BFNWRZZYBFWUTQ-UHFFFAOYSA-N 430.346 5.821 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1ncoc1C(C)(C)C 2178420133 YHDONIRFDAIDFZ-OAHLLOKOSA-N 434.334 5.741 30 10 IKEE C=CCN(CC[C@@H](NCCC)c1cc(Cl)c(Cl)cc1Cl)C(=O)OC(C)(C)C 2201287181 PKZKCJCYKGUFSY-GOSISDBHSA-N 435.823 6.501 30 10 IKEE Cc1sc([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)c(C)c1Br 2219351140 WSOFSORLVHPLDK-HNNXBMFYSA-N 427.408 6.262 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)C(C)(C)[C@@H](C)NC(=O)OC(C)(C)C 2235722830 GKDUHMNYPUDJMO-APWZRJJASA-N 437.422 5.108 30 10 IKEE CCC[C@@H](CCNC(=O)OC(C)(C)C)CC[C@H](N)C#Cc1ccccc1Br 2235746061 HQSCREFGISSSGJ-MJGOQNOKSA-N 437.422 5.239 30 10 IKEE C=CCCCCCCC[C@H](O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248461786 XZEHGWCFEIUGFJ-QHCPKHFHSA-N 431.617 5.718 30 10 IKEE N#Cc1cccc(Br)c1Nc1cc(Br)ccc1Br 2257483102 AXAZDJNLYFUIIG-UHFFFAOYSA-N 430.925 5.589 30 10 IKEE C=CCCC1(C(=O)c2ccc(Cl)c(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2266204037 RSTNQIGOFHQZFF-UHFFFAOYSA-N 446.744 5.628 30 10 IKEE CCC[C@]1(CNc2c(Br)cccc2C#N)CCCN(C(=O)OC(C)(C)C)C1 2285241121 JBXPNAPEGBWTJW-OAQYLSRUSA-N 436.394 5.550 30 10 IKEE Cc1ccc(S(=O)(=O)Nc2ccccc2NC=CC(=O)c2cccc3ccccc23)cc1 2295902819 RYGWNMFTJPXJLI-UHFFFAOYSA-N 442.540 5.758 30 10 IKEE CCn1cc(C=C2Oc3cc(OC(=O)c4ccccc4)ccc3C2=O)c2cc(OC)ccc21 2296592252 AFELYTRGWXQTDL-UHFFFAOYSA-N 439.467 5.505 30 10 IKEE CC[C@@]1(C)N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2300005700 AFWYBTQSICKMHU-RPWUZVMVSA-N 429.561 5.500 30 10 IKEE Cc1ccc(COc2ccccc2C=C2SC(=Nc3nc(C)cs3)N(C)C2=O)cc1 2314542744 NYSMHACZFYHWAB-UHFFFAOYSA-N 435.574 5.573 30 10 IKEE O=C1C(=Cc2ccc(F)cc2)Oc2c1ccc1c2CN(CCc2c[nH]c3ccccc23)CO1 2321911447 HRRIDVDKCOZYDX-UHFFFAOYSA-N 440.474 5.318 30 10 IKEE CCc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCOc2ccccc2)C4)cc1 2322038383 VBLLDSKLVXDGGP-UHFFFAOYSA-N 441.527 5.405 30 10 IKEE COc1ccc(C=C2Oc3c(ccc4c3CN([C@H]3CCCC[C@H]3C)CO4)C2=O)cc1OC 2322146072 WSRZWJAWDVQEQN-UZLBHIALSA-N 435.520 5.051 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(C(C)C)cc1)C3=O)CN(Cc1ccc(F)cc1)CO2 2322348183 ZQBCTOUSEPKUQG-UHFFFAOYSA-N 443.518 6.226 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OC)c1OCC(=O)Nc1ccc(F)cc1 2322657648 CDDNKSBWSXGNCS-UHFFFAOYSA-N 449.478 5.065 30 10 IKEE Cc1c(OC(=O)C2CCCCC2)ccc2c1OC(=Cc1ccc(Br)cc1)C2=O 2322747998 XXBUURALZLVMAS-UHFFFAOYSA-N 441.321 5.859 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(F)c(F)c2)c1OCc1c(Cl)cccc1Cl 2322785067 LWLZTYWCTYCUMI-UHFFFAOYSA-N 449.280 6.755 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccccc1OCc1ccc([N+](=O)[O-])cc1 2322922699 BBCINFRPJOLRKS-UHFFFAOYSA-N 437.879 6.040 30 10 IKEE CCCOC(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc(OC)c2ccccc12 2323017165 FXPOENNCLUPMJW-UHFFFAOYSA-N 438.907 5.730 30 10 IKEE Cc1cccc(NC(=O)COc2cccc(C=CC(=O)c3ccc4c(c3)CCCC4)c2)c1C 2323057592 JMFPRBUPRNNETD-UHFFFAOYSA-N 439.555 6.096 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(Cl)c1OCc1ccccc1F 2323388238 TUHXLUIXJQPQSC-UHFFFAOYSA-N 446.905 7.116 30 10 IKEE Cc1c(OC(=O)c2ccc(OCC(C)C)cc2)ccc2c1OC(=Cc1cccnc1)C2=O 2323635322 KJLHWHJCAGFLEE-UHFFFAOYSA-N 429.472 5.260 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)cc([N+](=O)[O-])c1OCCc1ccccc1 2323707929 HSOGDUIDUBOKGV-UHFFFAOYSA-N 447.487 5.520 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(OC)c1OCCc1ccccc1 2323799657 DJVQDQZTQKWTRV-UHFFFAOYSA-N 432.947 6.595 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(C)cc1 2323895942 QBEXUJURRKZGSD-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(OC)c1OCC(=O)Nc1ccccc1 2323969200 QJVSBVZKGCODGC-UHFFFAOYSA-N 449.478 5.065 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1cccc2ccccc12 2324128406 WCQKLJWTUSZTOT-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OCc1ccc(C)cc1 2324154282 GHBMEXOWSVBVPB-UHFFFAOYSA-N 434.963 7.256 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccc(OCc2ccc(C)cc2)cc1 2324324690 KYAAVGPVXGNXCY-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2)cc2c1C(=O)C(=Cc1ccc(Cl)cc1)O2 2324404207 HJBZYKQIDWZHTG-INIZCTEOSA-N 433.891 5.671 30 10 IKEE CCCOC(=O)COc1ccc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc1OCC 2324521323 IXVGIOAPOUSZKN-UHFFFAOYSA-N 446.927 5.284 30 10 IKEE Cc1cc(OCCCOc2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1ccccc1F)O2 2324554984 CWLVFVIPIPCZEK-UHFFFAOYSA-N 438.882 6.252 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OCC(=O)Nc3cccc(Cl)c3C)c2C)C1=O 2325055361 YLVGQWDJWNHACZ-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE CCCCCCCCCOc1cc(C)c2c(c1)OC(=Cc1ccc(C(=O)OC)cc1)C2=O 2325196506 NLCNOYKVPKVVKA-UHFFFAOYSA-N 436.548 6.527 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(C=CC(=O)c3cccc(OC)c3)ccc2OC)c1 2325707048 VYJANCUVLGYFNZ-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2cccc(C=CC(=O)c3ccccc3Cl)c2)c1 2325718071 WNTDFMGHNRDARF-UHFFFAOYSA-N 434.919 6.309 30 10 IKEE COc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)c1cccc(Cl)c1 2325721589 BPQDVTWCGHHMCJ-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE C[C@@H](Oc1ccc(Cl)cc1)C(=O)Oc1cccc(C=CC(=O)c2ccc(F)cc2F)c1 2325726026 QVSILHCEAIXVSL-OAHLLOKOSA-N 442.845 5.887 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OC(=O)c1ccc([N+](=O)[O-])cc1 2325750223 JGNIHOOZCZHDLN-UHFFFAOYSA-N 445.471 5.842 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1ccccc1F 2325910208 BTULKSLUWGTZMI-UHFFFAOYSA-N 439.343 5.687 30 10 IKEE CCCOc1ccc(C=Nn2c(C)nnc2SCc2ccccc2Cl)cc1OC 2326540961 KGWZHJCLRBPOHH-UHFFFAOYSA-N 430.961 5.212 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccc(OC)cc1 2326541082 NWXSWDOTLSAKAD-UHFFFAOYSA-N 430.961 5.212 30 10 IKEE CC(C)Oc1ccc(C=Nn2cnnc2SCc2ccc(Br)cc2)cc1 2326606292 FFFHJHWMRXLYHU-UHFFFAOYSA-N 431.359 5.002 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(OCC)cc2)n1N=Cc1c[nH]c2ccccc12 2326660775 HIDAXTOITIILHV-UHFFFAOYSA-N 447.564 5.288 30 10 IKEE CCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1ccccc1OCC(C)C 2326677610 SUTDRHXQEACHCA-UHFFFAOYSA-N 433.581 5.312 30 10 IKEE C=CCSc1nnc(COc2ccccc2Cl)n1N=Cc1ccccc1OC(C)C 2327673949 HGAFQRSSDYGPQU-UHFFFAOYSA-N 442.972 5.458 30 10 IKEE Fc1ccccc1CSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc[nH]1 2327956963 IWSKIADMXIRXEA-UHFFFAOYSA-N 439.947 5.358 30 10 IKEE Fc1ccccc1CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccccc1 2329102188 KJKIFCWBVVSHIN-UHFFFAOYSA-N 436.943 5.836 30 10 IKEE Clc1ccc(CSc2nnc(CCOc3ccccc3)n2N=Cc2ccco2)cc1 2329210235 OTEYVWDLNTVEMD-UHFFFAOYSA-N 438.940 5.321 30 10 IKEE O=[N+]([O-])c1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2)cc1 2329837462 YLBHRNHABJZCMQ-UHFFFAOYSA-N 447.495 5.091 30 10 IKEE Cc1ccc(CSc2nnc([C@@H](C)c3ccccc3)n2N=Cc2cccc(C)c2)cc1 2330050159 IEFZYWWMQZEJEI-NRFANRHFSA-N 426.589 6.221 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1Cl)c1ccc(F)cc1F 2330920483 VAZAOCNWGPAFHL-UHFFFAOYSA-N 433.237 6.387 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1[N+](=O)[O-])c1cccc(Cl)c1 2330934002 LAHQFRGDNCSTMA-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccccc2OC)cc1OC 2331051251 NIDHMSYVQUWOTN-UHFFFAOYSA-N 430.928 6.129 30 10 IKEE Oc1ccc(Cl)cc1C=Nn1c(SCCc2ccccc2)nnc1C1CCCC1 2331078084 ZHMPEXMGEDTVOL-UHFFFAOYSA-N 426.973 5.512 30 10 IKEE CCCN(CCC)C(=O)CSc1nnc(C2CCCC2)n1N=Cc1cccc(Cl)c1 2331090933 YXVJMALFTZASET-UHFFFAOYSA-N 448.036 5.212 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OC(=O)c1cc(C)cc(C)c1 2331101103 DXLIKTNJHMOLLK-UHFFFAOYSA-N 436.454 6.096 30 10 IKEE Cc1ccsc1C=Nn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccco1 2331215951 BZHXGZAUDZVYSY-UHFFFAOYSA-N 449.388 6.389 30 10 IKEE COc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2-c2ccco2)cc1O 2331225349 IMSIURVBGAPPOE-UHFFFAOYSA-N 440.912 5.080 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2OCC)cc1 2331231333 HIKKFNJFHWLKJH-UHFFFAOYSA-N 444.527 6.216 30 10 IKEE Fc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2-c2ccco2)cc1 2331235064 KQRJJVJEORWYEX-UHFFFAOYSA-N 430.867 5.644 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3)c([N+](=O)[O-])c2)cc1 2331498193 SCXKFKHZQFISLY-UHFFFAOYSA-N 429.472 5.762 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)c1ccc(Cl)cc1 2331519532 UHUOMSQGBXWWNL-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)Cc1cccs1 2331555723 MQQVOJLZETTXET-UHFFFAOYSA-N 444.455 5.088 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)cc2)cc1)c1ccc(Oc2ccccc2)cc1 2331592185 ZYJIXIBNMNMKFH-UHFFFAOYSA-N 438.454 6.733 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)c1ccccc1 2331630155 UYVWTJUZPRQWMS-UHFFFAOYSA-N 430.500 5.826 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2cccc3ccccc23)cc1 2331687200 SRDLHCFJRKNMAR-UHFFFAOYSA-N 443.576 5.476 30 10 IKEE CC(C)(C)c1ccc(-n2nnc(C#N)c2NC(=O)C(=Cc2ccccc2)c2ccccc2)cc1 2332188405 KLUDQWBXKQNNFO-UHFFFAOYSA-N 447.542 5.616 30 10 IKEE CC1(C)OB(c2cc(Cl)cnc2Nc2cc(Br)ccc2Cl)OC1(C)C 2339392340 GRHPSVGRAGVBRR-UHFFFAOYSA-N 443.965 5.194 30 10 IKEE CCN(C(=O)OC(C)(C)C)C(C)(C)COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339599627 NFTHNVQPVHLEML-CCEZHUSRSA-N 446.397 5.141 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1CNc1ccc(C#N)cc1Br 2358977001 JCOAXYAIIWYEEA-FCEWJHQRSA-N 434.378 5.301 30 10 IKEE CC(C)(C)c1ccc2oc(-c3ccc(/N=C/c4cc(Br)ccc4O)cc3)nc2c1 1921036 LZMWNURKEQTKJC-VULFUBBASA-N 449.348 7.011 30 10 IKEE CCOc1ccc2c(c1)O/C(=C\c1ccc(OC(=O)c3ccccc3F)c(OC)c1)C2=O 8823944 VOEVDPABLIKSTB-QRVIBDJDSA-N 434.419 5.068 30 10 IKEE CN(C)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc1 21239485 CAXKNLYITGJPFL-MYUZEXMDSA-N 443.978 6.386 30 10 IKEE COc1cc(/C=C/C(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)ccc1OCC#N 24877351 YSUDUOILUHHWBS-ZCUZSRHZSA-N 438.483 5.263 30 10 IKEE O=C1NC(=N/c2ccc(F)cc2)/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)S1 33567958 KHGFFVSZZAJXJI-WQRHYEAKSA-N 432.398 6.632 30 10 IKEE O=C(/C=C\c1ccc(OCc2ccccc2)cc1)c1ccc(OCc2ccccc2)cc1O 33702904 OXJNAMHGUAYTFA-AQTBWJFISA-N 436.507 6.446 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1 34954577 IVPOSNCVRGTHPJ-DEDYPNTBSA-N 434.491 6.478 30 10 IKEE CCOc1ccc(/N=C2/N=C(O)S/C2=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 35516790 LJCJUFSNBZGOSE-ZHZULCJRSA-N 434.477 5.516 30 10 IKEE CN(C)c1ccc(/C=C2\S/C(=N/c3ccncc3Cl)N(C3CCCCC3)C2=O)cc1 39864630 MVBPHCFXQKKTRI-USXILQPXSA-N 441.000 5.738 30 10 IKEE C=CCc1ccccc1OCCn1c([C@H](C)NC(=O)c2ccccc2)nc2ccccc21 40186146 BCVZGJIOKXIKKY-FQEVSTJZSA-N 425.532 5.335 30 10 IKEE CN1CCc2nc(SCC(=O)c3cccc(Cl)c3)c(C#N)c(-c3ccccc3)c2C1 40570085 YCVKNTHQGCWAGU-UHFFFAOYSA-N 433.964 5.237 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccccc4OC)c3C)C2=O)cc1 41285646 CNCYHCNLXBHKPT-HAHDFKILSA-N 430.456 5.238 30 10 IKEE CCN(CC)Cc1c(O)cc(C)c2c1O/C(=C\c1cn(CC)c3ccc(OC)cc13)C2=O 41510705 KVCBADHHZCOOHE-FMCGGJTJSA-N 434.536 5.142 30 10 IKEE Cc1ccc(-c2nc3sc(-c4ccccc4)cc3c(=O)n2Cc2cccc(C#N)c2)cc1 96532552 OGDBEAKCERZQPS-UHFFFAOYSA-N 433.536 6.020 30 10 IKEE CCCCCCCOc1cccc(NCC(=O)Nc2ccc(OCCCCCC)cc2)c1 100089913 KFKPYTMCVTVBFY-UHFFFAOYSA-N 440.628 7.046 30 10 IKEE CCCCCCCOc1ccc(C(=O)Oc2ccc(Cl)cc2Br)cc1 100219486 VPYOPHRBLQCGJT-UHFFFAOYSA-N 425.750 6.671 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c(O)ccc3ccccc13)N2 100372816 HTSIDBQSLJNPIE-CTVOUCONSA-N 427.588 7.721 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(Cl)cc2)S/C1=N/c1nc(-c2ccccc2)cs1 101130317 VENVEQIJJJSAJL-FKHPOCDDSA-N 425.966 6.087 30 10 IKEE Cc1c(/N=N/c2ccc(/N=N\c3ccccc3)cc2)c(O)n(C[C@@H]2CCCO2)c(=O)c1C#N 101146224 XINNYRWHYYAPRU-ZWLLGGJLSA-N 442.479 5.744 30 10 IKEE O=C(NCc1ccccc1)c1c(/N=C/c2ccc3c(c2)OCCO3)sc2c1CCCC2 103698773 MUQBGVONZVWWRL-JVWAILMASA-N 432.545 5.079 30 10 IKEE C/C(=N\NC(=N)S[C@H]1CC(=O)N(c2ccccc2)C1=O)c1ccc(C2CCCCC2)cc1 105609959 YXLKORQCNCWUAX-XDQFAZSOSA-N 448.592 5.048 30 10 IKEE COc1ccc2nc(N(Cc3ccccc3)C(=O)[C@H](C)Oc3cccc(C#N)c3)sc2c1 108987386 OPEZZMXMYCDYJY-KRWDZBQOSA-N 443.528 5.177 30 10 IKEE CCCCCCCC/C=C/CCCCCCCC(=O)OC1COC(c2ccccc2)OC1 137581216 YXVRTBJRLLXMSV-MDZDMXLPSA-N 444.656 7.681 30 10 IKEE CCCN1C(=S)N[C@@H](c2ccc(OCc3ccccc3Cl)cc2)C(C(C)=O)=C1C 169930186 PIUKWJTZDGTGDP-QFIPXVFZSA-N 428.985 5.423 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccc(OC)c2)cc1 169930586 KAJNRONOCUAMTE-XMMPIXPASA-N 427.500 5.349 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(OCc3ccccc3)c(Cl)c2)NC(=S)N1 169938424 XYHRKGFSALYMHM-HSZRJFAPSA-N 448.975 5.595 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(C)c(C)c2)=C(O)C(=O)N1c1cc(C)cc(C)c1 169941091 ADVKKGOSXBNBTB-RUZDIDTESA-N 441.527 5.712 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2cccc(C)c2)c1 169966682 RWWBXLCSLJTOBZ-NRFANRHFSA-N 448.544 5.250 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2cccnc2)c1 170006005 SDDIUPJQVBXLFI-QFIPXVFZSA-N 448.906 5.225 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2cccc(C)c2)cc1 170028350 YQAYEQTXUQNMHU-DEOSSOPVSA-N 427.500 5.485 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2c[nH]c3ccccc23)c1 170075611 JXALUPMJFUXDQW-XMMPIXPASA-N 438.483 5.268 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(O)cc2)cc1 170138440 GKHMZUJBDZGRLH-XMMPIXPASA-N 449.547 5.482 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2Cc2cccnc2)c1 170144604 KOZWUWPGCOEJFR-RUZDIDTESA-N 438.527 5.047 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cccc(C)c1 170145298 WVTBXOZJDNDRHW-QHCPKHFHSA-N 433.548 5.531 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccccn2)c1 170167790 RKXPGPSAOZMQHU-DEOSSOPVSA-N 436.467 5.026 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccnc2)ccc1OCC(C)C 170188266 UIHCLRSAPVFMGE-DEOSSOPVSA-N 442.515 5.208 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1cccnc1 170191250 YMGRNMGNJMCCPD-DEOSSOPVSA-N 440.543 5.779 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)c(Cl)c1 170220140 UHWUYJUOJBEPAE-QGZVFWFLSA-N 440.710 5.341 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1ccc(Cl)cc1 170236230 UNNAXOMOMIDYRD-FQEVSTJZSA-N 444.314 6.118 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(F)cc2)cc1 170239981 KUVVNKIANNOWMY-GYCJOSAFSA-N 443.474 5.240 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccc2F)c(C)c1 170248401 QBQSOHZRWMANDB-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1F 170251561 QNHDXFNDSOPYTC-JOCHJYFZSA-N 437.511 5.362 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1cccc(O)c1)c1ccc2ccccc2c1 170258948 FZEVUGRBHUVPOP-DEOSSOPVSA-N 437.451 5.034 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(OCC(C)C)cc2)=C(O)C(=O)N1Cc1ccco1 170274134 IHPGEXUSRIXQGM-DEOSSOPVSA-N 445.515 5.401 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)C)cc2)[C@H]1c1ccco1 170280939 CWFSQBMTPLYIRG-QHCPKHFHSA-N 445.515 5.811 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1ccco1 170282861 YOLYIAVRMKUSJP-QHCPKHFHSA-N 445.515 5.677 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccc(C)o2)cc1C 170302189 NQNOFZNQKBOUGS-QHCPKHFHSA-N 431.488 5.305 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccc(C)o2)c(OC)c1 170304787 NHDBIGHCNDGTBK-QHCPKHFHSA-N 447.487 5.005 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3c(c2)C[C@H](C)O3)=C(O)C(=O)N1c1ccccc1 170315016 WOVIFAQTXPPRMH-YCRPNKLZSA-N 431.513 5.163 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)c(Cl)c2)c1 170380112 RXKNNLWGKMVDAT-OAQYLSRUSA-N 438.310 6.085 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(C(C)C)cc2)[C@@H]1c1ccc(OC(C)C)cc1 170473168 DDPUOPIJQJMMSI-RUZDIDTESA-N 435.564 6.112 30 10 IKEE N#Cc1c(NC(=O)Cc2cccc3ccccc23)oc(-c2ccccc2)c1-c1ccccc1 170494123 KWLUWCYLAXMXJW-UHFFFAOYSA-N 428.491 6.820 30 10 IKEE CCCCCCC[C@H](C(=O)O)N(C(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 226807016 FAKNXSGRMGMSBN-RUZDIDTESA-N 437.580 6.460 30 10 IKEE CCCCCCOc1ccc(N=C(C)C(C)=Nc2ccc(OCCCCCC)cc2)cc1 252620026 LWEBAYLOXHIMSF-UHFFFAOYSA-N 436.640 8.490 30 10 IKEE Cc1ccc(N=C2S/C(=C\c3cccc(O)c3)C(=O)N2c2ccc(C)c(C)c2)cc1C 252624210 PIYTUXFPRDSHRQ-UNHHPBJVSA-N 428.557 6.434 30 10 IKEE CCCCCN1C(=O)C(=Nn2c(-c3ccc(Cl)cc3)csc2=NC)c2ccccc21 254841333 PJGTTYRCSUZWMW-UHFFFAOYSA-N 438.984 5.190 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccc(F)cc2)c(C)c1 526812213 JDFNRTXREMDFLT-YUMHPJSZSA-N 430.552 5.799 30 10 IKEE CCCCc1nnc(SCc2ccc(Br)cc2)n1/N=C\c1cccc(F)c1 526820621 ADDFIJSUNKAYGQ-QRVIBDJDSA-N 447.377 5.697 30 10 IKEE CC(C)(C)c1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)Cc2ccccc2F)cc1 586143945 IIVQGCQLNHRSBG-UHFFFAOYSA-N 436.552 5.386 30 10 IKEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1cccc(OCc2ccccc2)c1 698395824 BUJYHBHKQVYGOH-XMMPIXPASA-N 437.584 5.409 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@](C)(C#N)c1ccc(Br)cc1F 698858756 GEOYQGDUDLGJEA-LJQANCHMSA-N 439.350 5.826 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@H](C#N)CN(C(=O)OC(C)(C)C)C(C)(C)C 698938179 DNOCGPZZVFUNKY-MRXNPFEDSA-N 435.540 5.495 30 10 IKEE Cc1sc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)cc1Br 698963935 GDYLHPKWLNEUMK-HNNXBMFYSA-N 425.323 5.965 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2ccc(I)cc2)cc1 698986885 KQXJZRGZVDTWKI-GOSISDBHSA-N 448.304 5.606 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C#N)(N(C(=O)OC(C)(C)C)c1ccc(F)cc1)C2 709411397 BVNYPBFHOJAPCO-OALUTQOASA-N 445.535 5.391 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)CSc2n[nH]c(NN=C(C)/C=C\c3ccccc3)n2)cc1 1083891818 MGHIRDILGNCZOX-LKDABIEVSA-N 448.596 5.550 30 10 IKEE COc1ccccc1CNN=Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl 1084483972 KAGMHEXKTRAIND-UHFFFAOYSA-N 449.765 6.358 30 10 IKEE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNc2oc(C(C)C)nc2C#N)cc1 1772721862 DIALCWOBLNRLCP-UHFFFAOYSA-N 440.507 5.367 30 10 IKEE COC(=O)c1ccc(/C=C2\SC(=Nc3cccnc3Cl)N(c3ccccc3)C2=O)cc1 1772732890 HMYLCIFBNQBQIA-RSPUHVBCSA-N 449.919 5.330 30 10 IKEE N#Cc1cccc(C(=O)Oc2cccc3c(NC(=O)CCC(=O)c4ccccc4)cccc23)c1 1858926905 UBLBSVWCIHFPHW-UHFFFAOYSA-N 448.478 5.532 30 10 IKEE Cc1cccc(Cn2nc(C(=O)Nc3ccccc3C#N)cc2-c2ccc(Cl)cc2)c1 1859387064 RAZHFUYPRRXMQJ-UHFFFAOYSA-N 426.907 5.684 30 10 IKEE CCCC[C@@H](C)N(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(F)c1 1859995996 KFOWPKVUXOKUHI-CYBMUJFWSA-N 435.383 7.089 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc2ccccc12 1862435048 MYWWNOZTDLJFGR-HSZRJFAPSA-N 449.934 5.497 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc2c(c1)CCCN2C 1862443206 JVEGOXUQSKHDBZ-JOCHJYFZSA-N 438.955 5.101 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3c(F)cc(F)cc3F)[C@@H]2c2ccccc2)cc1 1862456713 YBTFIMCDBBYMDU-QFIPXVFZSA-N 437.417 5.191 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccc(C)c2)c1 1862476117 CIELLALGTUXLFS-XMMPIXPASA-N 427.500 5.091 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCc2ccc(F)cc2)cc1 1862486369 AHXLDIYZYBVDND-VWLOTQADSA-N 443.518 5.572 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccccc2C)cc1 1862515619 TYBRJZGVPOFJBF-VWLOTQADSA-N 447.575 6.085 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1cc(Br)ccc1F 1862541881 VLTNYMIUXKVSSG-LJQANCHMSA-N 446.316 5.139 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(N(C)C)cc1 1862617192 VIARJWNQBOULSG-UZUQRXQVSA-N 434.580 5.427 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(Br)cc1 1862670663 ZINRRNHMVZKWPA-LJQANCHMSA-N 428.326 5.171 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1cccc2ccccc12 1862704723 HXRLKZLGSBGTAH-XMMPIXPASA-N 429.516 5.617 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2Cc2cccnc2)cc1 1862713620 SALCCDYIZLTFHP-RUZDIDTESA-N 434.495 5.322 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(-c3ccccc3)cc2)=C(O)C(=O)N1CCC(C)C 1862722109 NNDTZYFGBWAVIQ-SANMLTNESA-N 439.555 6.286 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)=C(O)C(=O)N1C1CCCCCC1 1862737655 ZNZGKNYZEJNALC-QFIPXVFZSA-N 434.492 5.204 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(N(C)C)cc2)=C(c2ccccc2OC)C1=O 1863427018 VTQPNLDFPDQHDO-UHFFFAOYSA-N 449.595 5.314 30 10 IKEE C=CCN(CC=C)c1cc(N2C[C@H](C)Cc3c(C)ccc(C)c32)nc(Cc2ccccc2)n1 1869076857 UWUDNGJVRIDEMW-OAQYLSRUSA-N 438.619 6.193 30 10 IKEE CCCCCCCOc1cn(CCCN(C)C)c(CSCc2ccccc2)cc1=O 1870251612 NAZRIBKTERUVNA-UHFFFAOYSA-N 430.658 5.583 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCC(C)C)c(=O)cc1CSC(C)(C)C 1870256153 KYCLOTKUEPELKU-UHFFFAOYSA-N 439.662 5.819 30 10 IKEE CCn1cc(OCC2CCCCC2)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870275941 LFVKSACTXCEIBR-UHFFFAOYSA-N 425.598 5.312 30 10 IKEE C=CCOc1cn(CCc2ccc(OC)cc2)c(CNc2ccccc2C(C)C)cc1=O 1870810541 HYHNRSYDWAMZTI-UHFFFAOYSA-N 432.564 5.400 30 10 IKEE C=CCOc1cn(CCCCCO)c(CNc2ccc(OCCCCCC)cc2)cc1=O 1870813076 VJDZDMRWNFILRK-UHFFFAOYSA-N 442.600 5.147 30 10 IKEE CCCCCCCOc1cn(C[C@@H]2CCCO2)c(CNc2cccc(Cl)c2)cc1=O 1870833707 QDRRRTRJXGFQBY-QFIPXVFZSA-N 432.992 5.642 30 10 IKEE CCCCCCCOc1cn(CCc2ccc(F)cc2)c(CNc2ccccc2)cc1=O 1870836314 VMRDYCWIQUZZBY-UHFFFAOYSA-N 436.571 6.191 30 10 IKEE CCCCCCCOc1cn(CCCCCO)c(CNc2ccc(C(C)C)cc2)cc1=O 1870838267 WJFDWYMUGVLYDQ-UHFFFAOYSA-N 442.644 6.096 30 10 IKEE C=CCn1cc(OCc2cccc(C)c2)c(=O)cc1CNc1ccc(C(F)(F)F)cc1 1871069867 CCBGDSOXBVOKDZ-UHFFFAOYSA-N 428.454 5.553 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc4c3CN(CCc3c[nH]c5ccccc35)CO4)C2=O)cc1 1871345229 YYGFKUAJWMPZPP-WGARJPEWSA-N 436.511 5.487 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(C)c([N+](=O)[O-])c4)ccc3C2=O)cc1 1871374655 AFJDZMUXQPVZGO-FMCGGJTJSA-N 429.428 5.301 30 10 IKEE CCCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871378427 MMRUOWBZBWDNHU-YJCBZZKFSA-N 440.495 6.019 30 10 IKEE CC(C)COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)c1 1871378858 CURDYAHTVKVPBA-MSXFZWOLSA-N 432.447 5.696 30 10 IKEE Cc1c(OC(=O)/C=C/c2ccc(C(C)C)cc2)ccc2c1O/C(=C\c1ccncc1)C2=O 1871380148 ZHIRCMISKGWGAA-WAHJLDKCSA-N 425.484 5.748 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4cc(C)ccc4C)ccc3C2=O)c1 1871411248 HEZYLRCAZZCPEW-LPANUZLBSA-N 427.500 5.634 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccc(C)cc3C)ccc2C1=O 1871419015 ZHKLLPHWNLKBGB-QFEZKATASA-N 443.499 5.336 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc(Cl)c4C)ccc3C2=O)c1 1871427081 MOQVTAAEZTYFTA-FMCGGJTJSA-N 449.890 5.291 30 10 IKEE Cc1ccc(CCOc2ccc3c(c2C)O/C(=C\c2ccccc2Br)C3=O)cc1 1871437660 UMVFNCCMFQFLFZ-HAHDFKILSA-N 449.344 6.304 30 10 IKEE CCCCCCCCN=c1nc(N(CCC)CCC)[nH]c(=Nc2cccc(C)c2C)[nH]1 1871590570 HAJAJMLFLIKWRH-UHFFFAOYSA-N 426.653 5.475 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(O)cc2)[nH]c(N2CCC(C)CC2)n1 1871718199 CZJXMDYNVWSUTN-UHFFFAOYSA-N 440.636 5.532 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccccc1 1872443567 HXGSDEGKSVVEAH-XMMPIXPASA-N 442.625 5.430 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 1872529268 FBOAGDDGZHQOLB-DEOSSOPVSA-N 442.625 5.376 30 10 IKEE N#C[C@H](C(=O)c1ccc(-c2ccccc2)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872769561 VKULAIULAIXLCT-LJQANCHMSA-N 449.362 7.274 30 10 IKEE N#C[C@@H](C(=O)c1cc(Cl)ccc1Cl)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872773811 YTMYCYJHIGLLOJ-AWEZNQCLSA-N 431.300 5.378 30 10 IKEE N#C[C@@H](C(=O)Cc1cc(Cl)ccc1Cl)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872774243 LIPSSNUSCKTCKU-HNNXBMFYSA-N 445.327 5.307 30 10 IKEE COc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872788176 WMYFYFHWDCEZLJ-AWEZNQCLSA-N 433.316 5.381 30 10 IKEE COc1cc(NC(=O)c2ccc(CSc3nc(C)c(C)c(C)c3C#N)cc2)cc(OC)c1 1872895272 LJMNBEVSGJFPIF-UHFFFAOYSA-N 447.560 5.440 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2C)C(=O)N(Cc2nc3ccccc3[nH]2)C1=O 1873104414 XWXHISDGOZCVSF-UHFFFAOYSA-N 444.579 5.102 30 10 IKEE CCCc1nnc(SCc2ccccc2)n1/N=C/c1cccc(OCc2ccccc2)c1 1873501159 MRHGXCJGWMBORS-OVVQPSECSA-N 442.588 5.984 30 10 IKEE CCOc1cccc(/C=N/Nc2cnn(-c3ccc(Cl)c(Cl)c3)c(=O)c2Cl)c1 1873528564 CEUVOWYXJGITKX-AUEPDCJTSA-N 437.714 5.037 30 10 IKEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3cccc(Cl)c3C)c(=O)oc2c1 1873903625 FQTPASRQZHKBDX-UHFFFAOYSA-N 425.912 5.589 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CCc2cccc3ccccc23)nnc1SC 1874233520 NGMYQRVOLCYCOO-NLRVBDNBSA-N 428.561 5.385 30 10 IKEE Cc1ccc(C)c(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccncc2)c1C 1874255149 MVQOPTUMPSXBSE-JFLMPSFJSA-N 443.576 5.352 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(COc2ccc(Cl)cc2)nnc1SCCC 1874265180 ZMIYJIRWDYDAOJ-BUVRLJJBSA-N 442.972 5.460 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(Cl)cc3)n2/N=C/c2ccccc2)cc1 1874339485 YJZWTPJQMMCMGJ-WGOQTCKBSA-N 432.980 6.005 30 10 IKEE CCSc1nnc(Cc2ccccc2F)n1/N=C/c1cccc(OCc2ccccc2)c1 1874375327 QRTFTUNUXVBJFJ-WPWMEQJKSA-N 446.551 5.581 30 10 IKEE CCCOc1c(/C=N/n2c(Cc3ccccc3F)nnc2SCCC)cccc1OC 1874376774 NOQLDPKHPIHXOM-PCLIKHOPSA-N 442.560 5.190 30 10 IKEE C=CCSc1nnc(CCc2ccccc2)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874403465 BHQZXACFQNMDIH-KOEQRZSOSA-N 436.581 5.019 30 10 IKEE Fc1ccccc1CSc1nnc(C2CCCC2)n1/N=C/c1c(Cl)cccc1Cl 1874455753 JLLKIIMZSFWSJJ-BRJLIKDPSA-N 449.382 6.556 30 10 IKEE Cc1cccc(CSc2nnc(C(F)(F)F)n2/N=C/c2c(Cl)cccc2Cl)c1 1874461045 TUPNJJAYSFGFEW-PGGKNCGUSA-N 445.297 6.087 30 10 IKEE Fc1cccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C(F)(F)F)c1 1874461927 ISIVTQYLAMJRKX-KTZMUZOWSA-N 449.260 5.917 30 10 IKEE CCCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1cccc(C)c1 1874479191 NJLKXMKWADXJNR-ZMOGYAJESA-N 433.408 6.410 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2C(C)(C)C)cc1 1874484171 IUPCMIXXGVVTJH-WPWMEQJKSA-N 449.668 6.213 30 10 IKEE COc1cccc(/C=N/n2c(CC(C)C)nnc2SCc2ccc(Cl)cc2)c1OC 1874491110 ZXNVFTVRPMSJBQ-ZMOGYAJESA-N 444.988 5.322 30 10 IKEE Cc1nnc(SCc2ccccc2Cl)n1/N=C/c1cc(Br)ccc1F 1874531554 PCWZAGLQVIQNBE-ZVBGSRNCSA-N 439.741 5.316 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cccc(OC)c1OCc1ccc(C)cc1 1874588916 LCJTVRJITVMACI-OUKQBFOZSA-N 436.935 6.449 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)ccc1OCC(=O)Nc1cccc(C)c1 1874604988 NQXVHQJLTNYIRS-RVDMUPIBSA-N 443.543 5.870 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Cl)c1OCc1cccc(F)c1 1874626060 KIBJHANWTXDEIP-VMPITWQZSA-N 432.825 6.241 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3F)c(Cl)c2)c(OC)c1 1874632340 COOZHAUIEUKHHM-YRNVUSSQSA-N 426.871 5.971 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1OC(=O)c1ccc(F)cc1F 1874692529 LNPRXYWUBQYIMK-WUXMJOGZSA-N 444.433 6.242 30 10 IKEE O=C(Cc1ccccc1F)Oc1cccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1 1874695263 SBENUDOGYFFYOS-DHZHZOJOSA-N 429.274 6.177 30 10 IKEE CCOc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 1874705809 BDBOECJKKAOXSA-GIJQJNRQSA-N 428.528 6.498 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccccc2-c2ccccc2)c1)c1ccc(F)c(F)c1 1874711304 YRKZCWXIZHPAEF-DTQAZKPQSA-N 440.445 6.747 30 10 IKEE COc1ccc(OCCCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C)c(C)c3)c2)cc1 1874714240 LMYNQCOABPKORZ-MHWRWJLKSA-N 444.527 5.973 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccc(F)c(F)c2)c1 1874715265 LHBWUUBMIAUECR-RMKNXTFCSA-N 442.845 6.051 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2cccc(OC)c2)CSc2nnc(CC(C)C)n21 1874891166 WNDOIOMJRLZHNU-OAQYLSRUSA-N 444.645 5.547 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2cccc(OC)c2)CSc2nnc(CCCC)n21 1874899503 RVMMCWUTOIFSKJ-OAQYLSRUSA-N 444.645 5.692 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1OC 1875098671 HFDYMLVIMJJDNO-LZYBPNLTSA-N 444.527 6.117 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2Cl)cc1 1875125845 DIWDASHJDOXZNG-SWGQDTFXSA-N 427.283 6.117 30 10 IKEE CCCCCCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccccc2)cc1OCC 1875127291 XPSCFDPEHMLOAY-WUKNDPDISA-N 442.983 7.291 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Br)c1OC(=O)C(C)(C)C 1875128656 NRDIITSQHRXNFR-VAWYXSNFSA-N 431.326 5.695 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1 1875129796 UNZFUODOSQHBMF-QLKAYGNNSA-N 441.310 6.507 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 1875133895 KZZRDKOAXIZOGT-JLHYYAGUSA-N 445.471 5.726 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)c1cccc(Cl)c1 1875157984 ZEYOESAOMROABY-BJMVGYQFSA-N 445.273 6.256 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OC(=O)Cc1ccccc1F 1875164156 VYCKRIUFRSLREJ-YRNVUSSQSA-N 440.417 5.547 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1OC 1875169329 HMFVIBYJJXNXOE-MDZDMXLPSA-N 430.928 5.966 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)cc1C 1875175952 OWLNMRDKMNMWFL-WUXMJOGZSA-N 435.863 5.980 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)ccc1OC(=O)c1ccccn1 1875189782 HMWFZVBEOKXYQM-PKNBQFBNSA-N 431.488 5.221 30 10 IKEE CCN(CC)c1cccc(OCC#CCNC(=O)CCc2cccc(-c3ccccc3)c2)c1 1891727167 MDCLQFASNYHMRH-UHFFFAOYSA-N 440.587 5.331 30 10 IKEE O=C(NCc1ccccc1OC(F)(F)F)c1cccc(C(F)(F)F)c1C(F)(F)F 1892143958 FKDUUMSBHPJOPG-UHFFFAOYSA-N 431.254 5.553 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1ncc(Br)cc1Br 1922054464 KCETXDKLWURZGZ-KRWDZBQOSA-N 440.179 5.030 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@H](NC(=O)OC(C)(C)C)C(C)C 1941061326 KCJYAEDIFHPENS-NTKDMRAZSA-N 431.577 5.568 30 10 IKEE CC[C@@](C#N)([C@@H](C)NC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)c1cccc(OC)c1 1944143159 AGYSZMWSMWHIRP-WAIKUNEKSA-N 433.549 5.022 30 10 IKEE CCCCCCCC[C@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCC 1947488692 PXQMSLZCGRYFBF-RPWUZVMVSA-N 434.665 6.215 30 10 IKEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@]1(C#N)CN(Cc2ccccc2)C2(CCCC2)C1 1950346158 CIQABFBQTUCRSQ-JOCHJYFZSA-N 437.506 5.267 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@]1(C#N)CC(C)(C)[C@H]1OCc1ccccc1 1950402590 QIAFTDWVKRJHJG-BWKNWUBXSA-N 440.971 6.359 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@]1(C(C)(C)C)CCN(C(=O)OC(C)(C)C)C1 2008767635 KAOXQYAVOPURMB-ATIYNZHBSA-N 430.633 5.411 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2031496804 IIUGECOZGVMMRJ-NTKDMRAZSA-N 447.551 5.687 30 10 IKEE CCOc1ccc(C(=O)C(=Cc2ccc(OC)c(OC)c2)c2nc3ccccc3o2)cc1 2040515956 ZSBOCSJLGCTJOY-UHFFFAOYSA-N 429.472 5.667 30 10 IKEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2045241769 ULEVNZGZNRWZDM-OSPHWJPCSA-N 447.551 5.497 30 10 IKEE CC(C)(C)OC(=O)N[C@]1(C(=O)C2=CC[C@H](C(C)(C)C)CC2)CCN(Cc2ccccc2)C1 2061119220 NLTKCNCKOLMJOM-WXVAWEFUSA-N 440.628 5.498 30 10 IKEE CC#CC[C@@H](NCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071348768 JUDWCAXWPIMKBP-NAKRPHOHSA-N 429.560 5.270 30 10 IKEE Cc1ccc([C@@H](n2nc(C3(C)CC3)c(C#N)c2I)C2(C)CC2)cc1F 2079142113 VGAWAJMWYIFGPD-QGZVFWFLSA-N 449.311 5.248 30 10 IKEE OCc1c(C(F)(F)F)nn([C@H](c2ccc(C(F)(F)F)c(F)c2)C2CCC2)c1Cl 2079855878 PACNABHFAYGNPZ-ZDUSSCGKSA-N 430.751 5.595 30 10 IKEE C[C@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)(F)F)c(C#N)c1Br 2079958208 SRHAOPOSQSVBBK-ZCFIWIBFSA-N 430.121 5.303 30 10 IKEE CC(C)c1nn([C@H](c2ccc(C(F)(F)F)c(F)c2)C2CC2)c(Br)c1C#N 2079970205 OYJFDYXJBKFQHO-INIZCTEOSA-N 430.243 5.798 30 10 IKEE N#Cc1c(C(F)F)nn([C@@H](c2ccc(C(F)(F)F)cc2F)C2CC2)c1Br 2079976620 ADYOLXMRZTVBIL-CYBMUJFWSA-N 438.169 5.612 30 10 IKEE COc1ccc([C@H](n2nc(C3CCC3)c(C=NO)c2Br)C(C)(C)C)c(F)c1 2080059767 CPWFWDQHALXFKO-SFHVURJKSA-N 438.341 5.504 30 10 IKEE CCc1ccc(Nc2cccc(Br)c2C#N)cc1I 2128729860 ZOUBYZOSGNWGQL-UHFFFAOYSA-N 427.083 5.231 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@](C)(C#N)C1C[C@H]2[C@H](C1)C2(C)C 2149725792 ASFHYKZOHLEIHC-NPPFBWRTSA-N 433.390 6.155 30 10 IKEE CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1Nc1ccc(C#N)c(Br)c1 2149850181 GWMVBYGNTVNWJI-VQIMIIECSA-N 436.394 5.404 30 10 IKEE N#Cc1ccc(NC[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c(F)c1Br 2159218415 WCWDBYZPHMZBNX-GGPHIMKMSA-N 428.349 5.315 30 10 IKEE CCN(c1ccc(C#N)c(Br)c1F)C1CCC(NC(=O)OC(C)(C)C)CC1 2174812637 NBSXVERUBSFSND-UHFFFAOYSA-N 440.357 5.122 30 10 IKEE CCCCCCCCCCCC[S@@](=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2195305488 YPTGZNOMCVLHJT-IIMAJNMQSA-N 439.618 5.036 30 10 IKEE C#C[C@H](NC(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCC1 2243916770 ORKJKTRMJJLRHA-SANMLTNESA-N 444.575 5.004 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1sc(Br)c(C)c1C 2254707949 ZHUQCFRVXOGRTC-CABCVRRESA-N 431.440 5.638 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CC[C@H](C1)[C@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2258100336 HFVFBHZUPXQLOR-ARJLHZIISA-N 447.620 5.532 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](O)c1cc(Br)cc(C(C)(C)C)c1 2273000463 FDFDMWURZSXNID-ZWKOTPCHSA-N 426.395 5.640 30 10 IKEE C=C1C[C@H]1C[C@@H](OCCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2276382130 WWSWZIFCVFKBAG-XTEPFMGCSA-N 443.587 6.217 30 10 IKEE C=C(COCc1ccccc1)[C@@](C)(OCCC(=O)O)c1ccc(C)c(Br)c1 2291133414 XDCDOFLINZTECR-JOCHJYFZSA-N 433.342 5.237 30 10 IKEE CCCCCCCCNC=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 2296405744 SXWWQCAJLZCQPW-UHFFFAOYSA-N 432.593 5.881 30 10 IKEE Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)cc1 2296932887 TUGQIINDJIIWLG-OAQYLSRUSA-N 438.310 5.928 30 10 IKEE O=C1C(=Cc2cccc(Cl)c2)Oc2cc(OCc3c(Cl)cccc3Cl)ccc21 2314437209 GFSZNHRMEXLRKD-UHFFFAOYSA-N 431.702 6.842 30 10 IKEE CCOC(=O)[C@H](Oc1ccc2c(c1)OC(=Cc1ccccc1Cl)C2=O)c1ccccc1 2314438154 JFBKERSBCKVFSY-XMMPIXPASA-N 434.875 5.639 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1N=Cc1cc(Cl)c(OC)c(Cl)c1 2318574169 GAZUPCURSVOKNC-UHFFFAOYSA-N 449.407 6.111 30 10 IKEE C=Cc1ccc(COc2cc(C)c3c(c2)OC(=Cc2cccc(OC)c2OC)C3=O)cc1 2321863212 XITLEJHISYIRFD-UHFFFAOYSA-N 428.484 5.850 30 10 IKEE COc1ccc(CCN2COc3ccc4c(c3C2)OC(=Cc2sccc2C)C4=O)cc1 2321937431 AGTDJHFDRTUJOS-UHFFFAOYSA-N 433.529 5.076 30 10 IKEE COc1cccc(C=C2Oc3c(ccc4c3CN(Cc3cc(C)ccc3C)CO4)C2=O)c1 2322170867 SSBOQDWRYZQPDN-UHFFFAOYSA-N 427.500 5.280 30 10 IKEE CCOC(=O)c1ccc(COc2c(C=CC(=O)c3ccc(F)c(C)c3)cccc2OC)o1 2322638102 NBIHIXICMJSLSL-UHFFFAOYSA-N 438.451 5.388 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccc(C)cc2C)cc1Cl 2322974797 ZGZQHYNRSYFPEM-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE C[C@H](NC(=O)COc1cccc(C=CC(=O)c2ccc3ccccc3c2)c1)c1ccccc1 2323047650 REXOXHXZBZHCMK-NRFANRHFSA-N 435.523 5.992 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)CCc4ccc(C)cc4)cc(C)c3C2=O)cc1 2323087199 RAQDTTZJLWVIHV-UHFFFAOYSA-N 426.512 6.020 30 10 IKEE Cc1cc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(Cl)c2)C3=O)ccc1[N+](=O)[O-] 2323280022 ADFPSTNCTYHVOJ-UHFFFAOYSA-N 449.846 5.700 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OCc1cccc(F)c1 2323404160 BWXNPDGJNDMIPF-UHFFFAOYSA-N 426.487 6.853 30 10 IKEE O=C(C=Cc1ccc(OCCc2ccccc2)c(Cl)c1)c1cccc(Br)c1 2323652747 VXSFJJIOEZFGOU-UHFFFAOYSA-N 441.752 6.620 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1Cl 2323766296 YGYUISLIEVACPF-UHFFFAOYSA-N 440.326 6.215 30 10 IKEE CC(C)COc1c(Cl)cc(C=NNc2nc(-c3ccc(F)cc3)cs2)cc1Cl 2323854762 XULNHMKAHAGQIM-UHFFFAOYSA-N 438.355 6.737 30 10 IKEE CCOc1cc(C=NNc2nc(-c3cccs3)cs2)cc(Cl)c1OCC(C)C 2323858395 QJZIUUJNICJENP-UHFFFAOYSA-N 436.002 6.405 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1C 2324055429 QYSSUQAEPBZHAB-UHFFFAOYSA-N 441.571 6.515 30 10 IKEE CCN(CCc1ccncc1)Cc1c(O)cc(C)c2c1OC(=Cc1ccc(C)cc1)C2=O 2324091073 XLYHPUKMLVZFPY-UHFFFAOYSA-N 428.532 5.085 30 10 IKEE COc1ccc(OC)c(C=C2Oc3cc(OCCCc4ccccc4)cc(C)c3C2=O)c1 2324269585 ZYMBVRLUUVSBTM-UHFFFAOYSA-N 430.500 5.640 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OCc3ccccc3Cl)c([N+](=O)[O-])c2)c1C 2324349118 WQHNINHBCMHGHI-UHFFFAOYSA-N 449.934 6.957 30 10 IKEE COc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1OC 2324352111 JWTUNSUDTWBHKS-NRFANRHFSA-N 440.524 5.870 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2324504851 JPASRLJHQJNCGR-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE CCOc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2)C3=O)cc1 2324521449 ZICRWAIEAMYGQN-KRWDZBQOSA-N 429.472 5.108 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OCc1ccccc1Cl 2324561531 FWQPJKYDUIQRTM-UHFFFAOYSA-N 434.963 7.139 30 10 IKEE O=C1C(=Cc2cccc(Cl)c2)Oc2cc(OCCOc3ccc(Cl)cc3)ccc21 2324665987 HNBYQLSPJYZLEQ-UHFFFAOYSA-N 427.283 6.067 30 10 IKEE Cc1cc(C)c(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(Cl)c(Cl)c3)n2)c(C)c1 2324787885 SOGLKSVMBNLRRX-QGZVFWFLSA-N 441.383 6.932 30 10 IKEE CCOc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1OC 2324817360 UXRBPJHOLWWSSG-CQSZACIVSA-N 444.965 5.822 30 10 IKEE O=C(Cc1ccccc1Cl)Oc1cccc(C=CC(=O)c2ccc3c(c2)CCCC3)c1 2325701614 BQQXIUYQSNRRHU-UHFFFAOYSA-N 430.931 6.263 30 10 IKEE Cc1cc(OCC(=O)Nc2ccccc2F)cc2c1C(=O)C(=Cc1ccccc1Cl)O2 2325739261 SEVZODCCWJUCJL-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2OC)cc1OC(=O)c1ccccc1Cl 2325742410 SOKCSJMGNRJYMK-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1OC(=O)C(C)(C)C 2325754419 LCPLXJQHMFDMHS-UHFFFAOYSA-N 430.500 6.335 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OC(=O)CCCOc1ccccc1 2325759743 CJZXPRUXGQMPML-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE C=CCSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1cc(C)ccc1O 2325913558 MOOKSZOZKQIVAQ-UHFFFAOYSA-N 449.363 5.338 30 10 IKEE Cc1ccc(CSc2nnc(C)n2N=Cc2ccc(OC(C)C)c(Cl)c2)c(C)c1 2326433230 IEAFYVAMDCDLKW-UHFFFAOYSA-N 428.989 5.818 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1N=Cc1cccc(OCC(C)C)c1 2326637652 NSSXKWKUAWEZCE-UHFFFAOYSA-N 444.604 6.203 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1c(F)cccc1Cl 2328179652 SQISZHICECLIFV-UHFFFAOYSA-N 435.012 6.695 30 10 IKEE Cc1ccccc1CSc1nnc(CCCOc2ccccc2)n1N=Cc1cccn1C 2328718142 JPAKPSFQEYIXNI-UHFFFAOYSA-N 445.592 5.111 30 10 IKEE C=CCSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1ccccc1OC(C)C 2328796860 ZQQAUYQVYDRZPM-UHFFFAOYSA-N 436.581 5.421 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2cccs2)cc1C 2329430388 ZWIQICIMWKIXDL-UHFFFAOYSA-N 432.618 5.764 30 10 IKEE COc1ccccc1C=Nn1c(Cc2ccc(F)cc2)nnc1SCc1ccccc1C 2329803606 SUWVTJOSPUJNSS-UHFFFAOYSA-N 446.551 5.500 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2ccccc2F)cc1 2329941786 FLIVZZFGMHOYDT-UHFFFAOYSA-N 430.552 5.799 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCSC)NC(=O)C=Cc1ccc(OC)cc1 2330120481 FBYYVAOCLYOFTG-QHCPKHFHSA-N 448.673 5.203 30 10 IKEE Fc1cccc(CSc2nnc(-c3cccs3)n2N=Cc2cccc3ccccc23)c1 2330556594 LIDJUCJKIVIRMZ-UHFFFAOYSA-N 444.560 6.473 30 10 IKEE Oc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2-c2cccs2)cc1O 2330604482 FFUBPSQJUHMOLZ-UHFFFAOYSA-N 442.953 5.246 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)cc1)c1cccc([N+](=O)[O-])c1 2330622007 WPKANUCYCOIIIX-YADHBBJMSA-N 447.874 5.853 30 10 IKEE O=C(O)c1ccccc1C=Nn1c(SCc2cccc(Cl)c2)nnc1-c1ccccc1 2330692770 USBFYTBKLPOVJB-UHFFFAOYSA-N 448.935 5.471 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)cc2F)cc1)c1ccc(Br)cc1 2330883175 YFMSBNPUEJHQBN-UHFFFAOYSA-N 443.243 5.843 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3cccc(F)c3)nnc2[C@H]2CCCO2)c1 2330935336 YUTVGJFVRPXUMV-OAQYLSRUSA-N 440.544 5.232 30 10 IKEE COC(=O)c1ccc(CSc2nnc(C3CCCC3)n2N=Cc2ccc(Cl)cc2)o1 2331066027 FXVQZGGMWLYLRB-UHFFFAOYSA-N 444.944 5.143 30 10 IKEE C=C(C)CSc1nnc(C(F)(F)F)n1N=Cc1ccc(OCCC)c(OCC)c1 2331136028 VNRPCDVFMTYYAN-UHFFFAOYSA-N 428.480 5.035 30 10 IKEE Cn1cc(C=Nn2c(SCCc3ccccc3)nnc2-c2ccco2)c2ccccc21 2331211350 ORIGFPOXJITZQM-UHFFFAOYSA-N 427.533 5.247 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)c1cnc(C)cn1 2331346908 MEEMLZOVGUGSHJ-UHFFFAOYSA-N 446.478 5.085 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(OC)c(F)c2)cc1OC 2331450923 SVULDNBXHWOEJK-UHFFFAOYSA-N 448.918 6.268 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)c1cnccn1 2331489171 DRAUQNUQFNEFRB-UHFFFAOYSA-N 436.895 5.377 30 10 IKEE Cc1ccccc1NC(=O)CSc1nnc(C2CCC2)n1N=Cc1cccc(Cl)c1 2331500185 KEKWSUKUTCEJEX-UHFFFAOYSA-N 439.972 5.120 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1N=Cc1cc(Br)ccc1F 2331639489 HPJFNQQMCRDNLK-UHFFFAOYSA-N 447.377 5.615 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C(C)C)cc1 2331708727 PUUURQMOWVNGOB-UHFFFAOYSA-N 447.435 7.006 30 10 IKEE Cc1cc(I)c(Oc2cc(Br)cnc2C#N)cc1Cl 2336557677 AMUZNTOVWARZTM-UHFFFAOYSA-N 449.473 5.075 30 10 IKEE C[C@H](N(C)C(=O)OC(C)(C)C)C(C)(C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339597597 SJCBHGQGKWVDRT-KRWDZBQOSA-N 446.397 5.139 30 10 IKEE O=C(Nc1nnc(/N=C/c2ccc(Br)s2)s1)c1ccc(Cl)cc1 1509847 PQBMTMGMALAKQZ-REZTVBANSA-N 427.736 5.018 30 10 IKEE Cc1ccsc1/C=C1/C(=O)c2c(Oc3ccc(Cl)cc3)cccc2[C@@H]1c1ccccc1 3133450 HKTBNOQEZATRBJ-YHHBSCGTSA-N 442.967 7.914 30 10 IKEE COc1ccc([C@@H]2N(c3cccc(Br)c3)OC(=O)N2c2ccccc2)cc1 9593524 BBNMSOYZZDBMLU-FQEVSTJZSA-N 425.282 5.535 30 10 IKEE Cc1ccc(C2=NN(c3ccc(/C=N/c4ccc(O)cc4)cc3)[C@H](c3ccccc3)C2)cc1 15772852 WBBGVHAYFWCLBA-INFHVPRLSA-N 431.539 6.807 30 10 IKEE N#Cc1c(/N=C/c2ccc(N3CCOCC3)cc2)oc(-c2ccccc2)c1-c1ccccc1 38710950 UNDSZEKRCCHENI-TWKHWXDSSA-N 433.511 6.072 30 10 IKEE N#Cc1nc(-c2ccc(OCc3ccccc3)cc2)oc1N1CCC(Cc2ccccc2)CC1 39841512 ZCHBGALKGRAPCR-UHFFFAOYSA-N 449.554 6.251 30 10 IKEE O=C(/C=C/c1ccco1)Nc1ccc(C(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)cc1 39850895 RFIAPFMTCBAEMB-MWGZXAIVSA-N 443.886 6.741 30 10 IKEE O=C(CSc1nc2ccc(/N=C/c3ccc(F)cc3)cc2s1)Nc1ccc(F)cc1 59502571 ZBIHANVZFCYHKU-BRJLIKDPSA-N 439.512 6.056 30 10 IKEE N#Cc1cccc(CSc2nc(=O)c3c(-c4ccc(Cl)c(Cl)c4)csc3[nH]2)c1 96534704 RBMNJXWDWZGMJV-UHFFFAOYSA-N 444.368 6.122 30 10 IKEE CCCCCCCCCCCCCCCCNCc1cccc(OC)c1OCCCC 100125375 OKSGYDMMQOFFPV-UHFFFAOYSA-N 433.721 8.445 30 10 IKEE CCCCCCCCCCCCn1c([C@H](C)NC(=O)c2ccncc2)nc2ccccc21 102107965 ZZNMDXZBWUGSRF-QFIPXVFZSA-N 434.628 6.843 30 10 IKEE COc1ccc2c(c1)c(/C=C1\Oc3cc(OC(=O)C4CCCCC4)ccc3C1=O)cn2C 103024581 CTPUORKZJJHVLL-MSXFZWOLSA-N 431.488 5.289 30 10 IKEE CCCN1C(=S)N[C@@H](c2c(OCc3ccccc3)ccc3ccccc23)C(C(C)=O)=C1C 169930426 AKDOPGOSRDHNIG-AREMUKBSSA-N 444.600 5.923 30 10 IKEE COc1cccc(-c2csc(N/N=C\c3cc(Br)c(OC)c(OC)c3)n2)c1 169940154 ZTPKSAXMHZZXJC-FBHDLOMBSA-N 448.342 5.044 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccc(O)cc2)c1 169958813 XSKRCFPZINYACD-XMMPIXPASA-N 443.499 5.191 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccc(O)cc2)cc1C 169960257 DZIOFYOYGQNOKR-XMMPIXPASA-N 443.499 5.109 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1ccc(O)cc1)c1cccc(Cl)c1 169963706 YASYUWUENPNZLG-FQEVSTJZSA-N 441.817 5.107 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(OC(C)C)c2)s1 169981635 HZVNOOFJWFRLQA-FQEVSTJZSA-N 440.565 5.068 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2cccc(C)c2)cc1 170028101 NMFGRKOVQRYYMY-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2C)c1 170037429 SDSNENRBPMYAHE-QHCPKHFHSA-N 447.918 5.830 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccccc2)cc1 170052655 XYXLJWGCYFKZEQ-XMMPIXPASA-N 439.467 5.614 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccc(F)cc2)cc1 170062382 MECLHMSRPOGDDL-DEOSSOPVSA-N 429.491 5.788 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)C)cc2)ccc1F 170067835 MTGRCRNELQKQNY-DEOSSOPVSA-N 444.506 5.431 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@@H]2c2ccco2)c1 170090644 XZOCBOSOCZPYBG-HSZRJFAPSA-N 445.515 5.759 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@H]1c1ccco1)c1cc2ccccc2o1 170092521 VFHFXSCALBEILB-FQEVSTJZSA-N 437.810 5.601 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)[C@H]2c2ccco2)c1 170094951 UVLMJIWPQXWTFF-QHCPKHFHSA-N 431.488 5.467 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2sccc2C)c1 170105047 XZMZKRQQBDKTFR-NRFANRHFSA-N 433.529 5.465 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@H]1c1ccc(O)cc1 170137329 ZTRWISIHLQNTGO-OAQYLSRUSA-N 443.927 5.213 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@H]1c1ccc(OC(C)C)cc1 170152205 IMZMSZUFOWANSG-OAQYLSRUSA-N 443.927 5.124 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@@H]1c1cccc(OC(C)C)c1 170153317 JLXBPFLILZUSFN-NRFANRHFSA-N 443.927 5.124 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2cccs2)c1 170156327 ZEVWITSXWIZTEB-HSZRJFAPSA-N 445.540 5.473 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccs2)cc1C 170158189 ZLKNCKFFZBWGJV-HJPURHCSSA-N 445.540 5.471 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@@H]1c1cccs1 170164883 NREITYADVZAJCB-KRWDZBQOSA-N 434.355 5.197 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccccn1 170174519 YWSLPLDUEFXZOB-OAQYLSRUSA-N 448.906 5.143 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccc2)cc1 170222794 JELMDUWAJUYTPI-HSZRJFAPSA-N 431.463 5.396 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2)cc1 170223486 LKHVJUJTGKXDQC-HSZRJFAPSA-N 431.463 5.396 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccccc2F)c1 170248517 PGUWBZOMWNYGQD-VWLOTQADSA-N 437.470 6.070 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccccc2C)cc1 170271853 QFHLRTXEPRMHLM-DEOSSOPVSA-N 443.499 5.272 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccco1)c1ccc2ccccc2c1 170282082 NCYLXIDOLFOODP-JOCHJYFZSA-N 431.394 5.494 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccco2)ccc1OCC(C)C 170293356 PGCLGVILMVWFCJ-QHCPKHFHSA-N 437.536 5.534 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]2c2ccc(N(CC)CC)cc2)cc1 170452816 QSJPESSDFHKQQK-VWLOTQADSA-N 434.580 5.610 30 10 IKEE CSc1ccc(/C=C2/SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1 252623369 OPLJQUSNFAWQNM-MPVWDOOLSA-N 430.598 6.834 30 10 IKEE Cc1nnc(CN(C)[C@]2(c3ccccc3Cl)CCC/C(=C\c3cccs3)C2=O)o1 254825543 GNHGWRVSQOLAEJ-ANCZKMTESA-N 427.957 5.257 30 10 IKEE C#C[C@@H]1O[C@@H](C)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 384320608 OOSYYPHMRPRIRG-UMUOWMJJSA-N 442.555 5.163 30 10 IKEE CSc1nc(O)c(C(=O)Nc2cccnc2Oc2ccc(Cl)cc2Cl)cc1C#N 473419991 VCGQRVCECAOHKH-UHFFFAOYSA-N 447.303 5.127 30 10 IKEE Cc1c([C@H]2C(c3cccs3)=C(O)C(=O)N2c2cccc(C#N)c2)c2ccccc2n1C 526515531 JAGALCVTBVHKLL-QHCPKHFHSA-N 425.513 5.477 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccnc2)c1 526604652 KNBOTNWRPAEOJX-XMMPIXPASA-N 425.488 5.189 30 10 IKEE Cc1ccc(SC2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(F)c(F)c3)C2=O)cc1 526662509 CMGGGUXWMYYOCO-UHFFFAOYSA-N 447.466 5.134 30 10 IKEE CC(C)Oc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)c(F)c2)cc1 526709050 CJFSIMYLAVPFCT-HSZRJFAPSA-N 449.453 5.535 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccccc1OCCC 526807838 DNOMSWFHUNRFQG-XYGWBWBKSA-N 443.016 6.237 30 10 IKEE Cc1cccc(CSc2nncn2/N=C\c2ccc(OCc3ccccc3)c(Cl)c2)c1 526808841 UNNWPIBBXLRMRK-VYYCAZPPSA-N 448.979 5.993 30 10 IKEE CCCCOc1ccc(/C=N\n2c(CCC)nnc2SCc2cc(C)ccc2C)cc1 526819311 RVCDENXYKYKSRF-ONUIUJJFSA-N 436.625 6.201 30 10 IKEE Cc1nnc(SCc2ccc(Br)cc2)n1/N=C\c1ccc(OC(C)C)cc1 526819995 QLTFYFKDQKKAIS-UUYOSTAYSA-N 445.386 5.311 30 10 IKEE CCOc1cc(/C=N\n2cnnc2SCc2cccc(F)c2)cc(Cl)c1OCC 526824705 PRWVCAYEIUUDKD-MYKKPKGFSA-N 434.924 5.043 30 10 IKEE N#Cc1cccc(NC(=O)c2ccc(NC(=O)N(Cc3ccccc3)c3ccccc3)cc2)c1 586667263 ZQKZARIVQRYPGR-UHFFFAOYSA-N 446.510 6.049 30 10 IKEE COc1cc(C=NN=C(C(=O)c2ccccc2)c2ccccc2)ccc1OCCC(C)C 606346917 CPGSPRFKDLBXDQ-UHFFFAOYSA-N 428.532 5.826 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1ccc(C(F)F)cc1 698481459 HHEVSVCLKUZNMC-QGZVFWFLSA-N 437.284 6.393 30 10 IKEE CCCCCCCC[C@@H](O)c1ccc(I)c(Br)c1 721579542 XKIXWAHHSYYZIF-OAHLLOKOSA-N 425.148 5.838 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CC[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 724064344 OOOPHCDRVSVLNJ-CYFREDJKSA-N 429.561 5.011 30 10 IKEE O=C(/C=C/c1ccc(OC(F)F)c(Br)c1)c1ccc(C(F)(F)F)nc1O 768266258 AQEYEHJYVPJLFZ-DAFODLJHSA-N 438.146 5.066 30 10 IKEE CCOc1cc(/C=C2\SC(=Nc3ccc(F)cc3)NC2=O)ccc1OCc1ccccc1 1084063969 AVCMBYDKQMLUGP-HAHDFKILSA-N 448.519 5.695 30 10 IKEE C=CCOc1c(C=Nc2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cccc1OC 1084616196 NXDJOEDLXRKHBL-UHFFFAOYSA-N 446.572 6.203 30 10 IKEE Cc1cccc(N=C2S/C(=C/c3ccc(OCc4ccc(Cl)cc4)cc3)C(=O)N2C)n1 1772730943 HJHYIVDTDDJQOK-RWYGKYMDSA-N 449.963 5.856 30 10 IKEE Cc1cccc(Cn2nc(C(=O)Nc3ccc(C#N)cc3)cc2-c2ccc(Cl)cc2)c1 1859386973 NBFCHFXOMXFKEL-UHFFFAOYSA-N 426.907 5.684 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)c1ccccc1OCCC 1861358449 QLYZHOWDMISLCM-HSZRJFAPSA-N 432.649 6.021 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1OCC(C)C 1861359230 OQIXVCKGBGQSFW-QHCPKHFHSA-N 430.633 5.583 30 10 IKEE CCCCCCCCNC(=O)[C@H](C)NC(=O)c1ccc2[nH]c(-c3ccc(C)cc3)nc2c1 1861431965 UZIPKNCYJWITLA-IBGZPJMESA-N 434.584 5.133 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)/C=C/c1ccccc1Cl 1861562722 KOHPFWNFMCUXLN-FBRRREGBSA-N 425.038 5.068 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)COc1cc(C)c(Cl)c(C)c1 1861639675 DTWPCDVMBPGUSN-OAQYLSRUSA-N 439.040 5.487 30 10 IKEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)COc1cc(Cl)ccc1Cl 1861661454 WKTUSHRDPGOLQE-UHFFFAOYSA-N 445.431 5.524 30 10 IKEE CCCCCCCCNC(=O)c1cc(CCCC)n(-c2ccc(Br)cc2)n1 1862321482 KTSKSLVDUVAVSG-UHFFFAOYSA-N 434.422 6.068 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1cccc(OC)c1 1862385143 IRFCMSJPIOPQIA-BUXKBTBVSA-N 434.319 5.379 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2ccccc2)cc1C 1862400914 PKLLZWFCFFSLFY-RUZDIDTESA-N 441.527 5.399 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)cc1 1862402209 SYZODWPYQXDULZ-LYAKXMMSSA-N 449.547 5.169 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccccc1F 1862430702 PWFLYBKYDKDHCY-JOCHJYFZSA-N 443.946 6.418 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc2ccccc12 1862434902 JUGZURIPXYBACE-HSZRJFAPSA-N 433.935 6.262 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc3ccccc23)cc1 1862481016 UWSFJQOOPRGGJB-HHHXNRCGSA-N 447.534 6.235 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cc(Cl)cc(Cl)c2)cc1 1862481444 AHUYLRLKSQBUMX-UYAOXDASSA-N 446.330 5.059 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(OC)cc1 1862489667 XXICZIRBUWEIEQ-OFVILXPXSA-N 449.591 6.249 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862502817 JOJUQSPRPSRWLN-XMMPIXPASA-N 445.490 5.230 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1cccc2ccccc12 1862620150 LXJROUYBCZDTJL-DEOSSOPVSA-N 427.544 6.124 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1cccc2ccccc12 1862644328 ILIRUEDHSRIZDA-HSZRJFAPSA-N 433.479 5.366 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 1862672529 CNGOLUQMTDGAGH-QFIPXVFZSA-N 427.491 5.904 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2cccc(C)c2)c1 1862698448 HVRKASKPGMANDX-RUZDIDTESA-N 441.527 5.399 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862702273 AIRUWHRDFWAXND-BVZFJXPGSA-N 441.527 5.597 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccc(F)cc2)c1 1862702724 KEDXGBNGJMQGJY-QMHKHESXSA-N 431.463 5.174 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2[C@H](C)CC)c1 1862715306 ULMUIZGIMLAMTB-OSPHWJPCSA-N 429.516 5.615 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(F)cc2)C1=O 1862766212 WMVJCFHITODFFR-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(C)cc(C)c2)=C(c2ccc(Cl)cc2)C1=O 1863166161 DJJPVCBMZBEDIB-UHFFFAOYSA-N 438.999 6.509 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccccc2[N+](=O)[O-])C1=O 1863239716 LKNQBGTZVAVXOP-IBGZPJMESA-N 446.507 5.017 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccncc2)=C(c2ccc(OCCC)cc2)C1=O 1863685941 WLOCTTYNTOTUEQ-UHFFFAOYSA-N 449.595 5.101 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)c2c(C)c3cc(C)ccc3oc2=O)c1 1866291357 SYWZYWDQKMAXFQ-UHFFFAOYSA-N 436.467 5.073 30 10 IKEE CC[C@@H](C(=O)N[C@H](C(=O)Nc1cccc(C#N)c1)c1ccccc1)c1ccc(Cl)cc1 1866947417 BSBFITQZIQMSSH-PKTZIBPZSA-N 431.923 5.201 30 10 IKEE CCCCCCCCC(=O)Nc1c(C#N)nnn1Cc1c(Cl)ccc(Cl)c1Cl 1870112404 BQFFKTCZTLJKPT-UHFFFAOYSA-N 442.778 5.847 30 10 IKEE N#Cc1nnn(-c2ccc(Cl)c(Cl)c2)c1NC(=O)c1ccc(Cl)c(Cl)c1 1870137553 QTOMQLCBQLUIPR-UHFFFAOYSA-N 427.078 5.005 30 10 IKEE CC(C)c1cc(C(C)C)cc(-n2nnc(C#N)c2NC(=O)/C=C/c2cccc(Cl)c2)c1 1870143236 DIJUBHXUZRETQN-CMDGGOBGSA-N 433.943 5.691 30 10 IKEE CCCCc1ccc(-n2nnc(C#N)c2NC(=O)c2c(Cl)ccc(Cl)c2OC)cc1 1870154606 ZXQYDXRGMIISMY-UHFFFAOYSA-N 444.322 5.049 30 10 IKEE C=CCn1cc(OCc2cccc(Cl)c2)c(=O)cc1CNc1ccc(OC)c(Cl)c1 1870827167 KDDFSCOWNLPINP-UHFFFAOYSA-N 445.346 5.541 30 10 IKEE CCCCCCCCN=c1[nH]c(Nc2cccc(OCc3ccccc3)c2)ncc1[N+](=O)[O-] 1871308324 VKIARTBCPUYRPC-UHFFFAOYSA-N 449.555 5.902 30 10 IKEE Cc1ccc(CCC(=O)Oc2ccc3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)cc1 1871366310 DBRGOPLYXQWXQT-UCQKPKSFSA-N 429.428 5.058 30 10 IKEE Cc1cc(O)c(CN(Cc2ccccc2)C(C)C)c2c1C(=O)/C(=C/c1ccc(Cl)cc1)O2 1871395160 IIPQFJCGWOENDR-OYKKKHCWSA-N 447.962 6.381 30 10 IKEE O=C1/C(=C/c2cccc(Cl)c2)Oc2cc(OCCCOc3ccc(Cl)cc3)ccc21 1871404923 IBGNPFUUMOBUOG-UCQKPKSFSA-N 441.310 6.458 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871408071 TVRPYTPNBMZOMJ-KSJDGYIASA-N 449.890 5.371 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCCC(=O)Nc4ccc(C)cc4)ccc3C2=O)c1 1871430906 JFBWDYDFHDSENR-IWIPYMOSSA-N 429.472 5.027 30 10 IKEE Cc1ccc(NC(=O)CCOc2ccc3c(c2C)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871432870 PRKVJMJWKHVFNC-JLPGSUDCSA-N 427.500 5.636 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(C(C)C)cc2)[nH]c(N(CC)CCCC)n1 1871505366 VDNVIICMSGALQO-UHFFFAOYSA-N 440.680 6.559 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)cc1)C(C)C)S(=O)(=O)c1c(C)cc(C)cc1C 1871753864 IZYYVNIYNQTHQG-HSZRJFAPSA-N 442.625 5.150 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872064868 IDOFNDMVJGPVHU-HSZRJFAPSA-N 446.588 5.125 30 10 IKEE N#C[C@@H](C(=O)C(c1ccccc1)c1ccccc1)c1nc(-c2ccc3ccccc3c2)cs1 1872760396 NHTLXWDRFYKZEJ-VWLOTQADSA-N 444.559 6.972 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4ccccc4)cc3)n2)cc1OC 1872761675 SJIQZJMMFZZCMK-NRFANRHFSA-N 440.524 5.984 30 10 IKEE N#C[C@H](C(=O)c1ccc(-n2cccc2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872762460 NHKDLMYKHBJTIL-GOSISDBHSA-N 438.339 6.398 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 1872773239 LMDJOYZGHIVYBK-BODNZJIQSA-N 430.573 6.396 30 10 IKEE N#C[C@H](C(=O)Cc1cc(Cl)ccc1Cl)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872774244 LIPSSNUSCKTCKU-OAHLLOKOSA-N 445.327 5.307 30 10 IKEE N#C[C@@H](C(=O)CCCOc1ccc2ccccc2c1)c1nc(-c2ccc(F)c(F)c2)cs1 1872779619 NJCGRCPDBHWOBY-FQEVSTJZSA-N 448.494 6.277 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)COc3ccc(C)cc3C)n2)cc1C(C)C 1872779672 OUWGVLDVVRUWFJ-OAQYLSRUSA-N 448.588 6.123 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(F)c(F)c3F)n2)c(OCC)c1 1872784774 XIPMCDNDZYNPNJ-HNNXBMFYSA-N 446.450 5.515 30 10 IKEE CCc1ccc([C@H](C)NC(=O)c2ccc(CSc3nc(C)c(C)c(C)c3C#N)cc2)cc1 1872895167 GCUXMUBPJLUJNG-FQEVSTJZSA-N 443.616 6.224 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O 1872955709 JGDOKEOTQIZJRJ-UHFFFAOYSA-N 437.380 5.723 30 10 IKEE CCCCCCCCCCNC1=C(c2cccnc2)C(=O)N(CCC2=CCCCC2)C1=O 1873077254 QXXIHCAKQGZNHA-UHFFFAOYSA-N 437.628 5.782 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cc(C)ccc2OC)=C(c2ccccc2)C1=O 1873413153 OPLQRFIEIZRLGV-UHFFFAOYSA-N 448.607 6.336 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2OCCC)=C(c2ccccc2)C1=O 1873415440 PQCHIMBLERNREZ-UHFFFAOYSA-N 434.580 6.028 30 10 IKEE COc1ccc(Br)cc1/C=N/Nc1oc([C@H]2C[C@@H]2c2ccccc2)nc1C#N 1873471031 UZKBZQMEHSNFKV-QYPIABMHSA-N 437.297 5.034 30 10 IKEE C=CCn1c(C(=O)Nc2ccccc2CC)cc2c(NCc3ccccc3F)ncnc21 1873637413 YQKLQDDPLXYSGK-UHFFFAOYSA-N 429.499 5.183 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](C)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3 1873935486 SAIFRUCZRVJJAC-KRWDZBQOSA-N 448.003 5.959 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(F)cc1 1874204400 ZMUQWRPJOMVUJL-FOKLQQMPSA-N 439.343 5.687 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccc(C)cc3)n2/N=C/c2ccc(F)cc2)cc1 1874347778 FZKIQXCTUFQUAE-JVWAILMASA-N 446.551 5.500 30 10 IKEE Fc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2/N=C/c2ccncc2)cc1 1874381647 DACCKILWYSUKBZ-VULFUBBASA-N 437.931 5.231 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cc(C)ccc3C)n2/N=C/c2sccc2C)cc1 1874389164 JJQJDXLQKHRRRV-CVKSISIWSA-N 446.645 6.339 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2ccccc2F)nnc1[C@H]1CCCO1 1874446071 RXKVMIIZWHECNE-JAMLUQCHSA-N 438.528 5.008 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CCCC2)c1 1874457125 BMZBCXPMMYFTRU-ZVHZXABRSA-N 426.973 5.772 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCCC)nnc2-c2ccco2)cc1OCC 1874468204 XAVLOATVLYCZHS-XQNSMLJCSA-N 428.558 5.500 30 10 IKEE CC(C)Cc1nnc(SCCc2ccccc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874490579 YCGJBARVKBTESH-ZVHZXABRSA-N 433.408 6.000 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/n2c(S)nnc2CCOC)c(Cl)c1 1874559808 PYZKIBRXDBQFLI-XQNSMLJCSA-N 439.025 5.421 30 10 IKEE Cc1ccc(COc2ccccc2/C=N/n2c(S)nnc2CCc2ccccc2)cc1 1874560750 NQGCPLGPQPBMJL-YZSQISJMSA-N 428.561 5.122 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2ccc(C)cc2)cc1 1874572295 GHEKLAIZUKOCPA-SAPNQHFASA-N 429.516 5.480 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCCc1ccccc1)c1ccc(Cl)cc1Cl 1874573214 BEDLCEDAISLTBS-UXBLZVDNSA-N 431.746 7.164 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2ccc([N+](=O)[O-])cc2)cc1 1874579873 MRGHCSHFPHAUJU-LFIBNONCSA-N 447.487 5.867 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3c(C)cccc3C)c(Cl)c2)c1 1874605080 GSWPPWQFWHPQHU-ZRDIBKRKSA-N 449.934 5.879 30 10 IKEE Cc1ccc(C)c(COc2ccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)cc2[N+](=O)[O-])c1 1874620500 DOXWHABKHIJOKG-VMPITWQZSA-N 445.471 5.458 30 10 IKEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc1Cl 1874627002 HIVYCCJNNJSTHN-VQHVLOKHSA-N 443.971 5.582 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc(OC)c1OCCCO 1874628069 KHYPFNNSHPPOQN-NTEUORMPSA-N 434.488 5.153 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 1874634487 FARSOWCXDSYZMG-MDWZMJQESA-N 449.934 5.879 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OCC(=O)Nc2cc(C)cc(C)c2)cc1 1874638660 LPOYRCYGVVPGTC-UXBLZVDNSA-N 449.934 5.879 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(N(C)C)cc3)c2)cc1Cl 1874717123 ZUAINLJAQCALHG-NTUHNPAUSA-N 435.907 5.530 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)c(OC)c2)c1 1875104039 CGSNCEYKPRUFTC-DHZHZOJOSA-N 447.443 5.036 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)C(C)(C)C)c(Br)c2)cc1 1875106681 GBFAQZKMPHIRGS-GXDHUFHOSA-N 443.381 6.639 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)cc3)c(OC)c2)cc1C 1875109039 STZGOYOLLYLYFI-IZZDOVSWSA-N 434.463 5.196 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OC(=O)CSc1ccccc1 1875115285 WDKHBHLKJALDEA-OQLLNIDSSA-N 448.540 5.688 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1cccc2ccccc12 1875125431 IVFSOZVAFSIBKU-OQLLNIDSSA-N 442.898 6.617 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC(=O)C(C)(C)C 1875132905 ULOSPFPEHAZYHH-DHZHZOJOSA-N 447.358 6.578 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)c1sccc1C 1875133590 BXUQTXBXGYHQBH-PKNBQFBNSA-N 446.568 6.526 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(OC(C)=O)cc1 1875136832 YSHKUXILWODBPC-MKMNVTDBSA-N 430.456 5.044 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)Cc3cccs3)c([N+](=O)[O-])c2)ccc1F 1875141868 ZNIPVFZRJPWIAL-XBXARRHUSA-N 425.437 5.148 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(OC)ccc2OC)cc1OC 1875146825 DXFSVJFXLFBOFY-JLHYYAGUSA-N 426.509 5.484 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1cccc(F)c1 1875149211 DRULFDAKYHYZIX-OQLLNIDSSA-N 446.518 6.637 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OC(=O)CC(C)C 1875149378 NCHFCZALRSEEAI-MDWZMJQESA-N 442.983 6.884 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3)c(Cl)c2)cc1F 1875153141 RYRDLQYLMLMBKF-YRNVUSSQSA-N 438.882 5.922 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(OC)c1OC(=O)c1ccccc1 1875154362 AOPXKYNHJLMCNE-ISLYRVAYSA-N 448.518 6.692 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1ccc(Cl)cc1 1875156531 GAPXCPMLVLGSPT-PJQLUOCWSA-N 448.946 6.977 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2Cl)c(C)c1 1875158175 JDXZAWVEWPXUQK-ONNFQVAWSA-N 438.882 5.976 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)cc2)cc1C 1875168582 KPAJBWLYJNTCEQ-GXDHUFHOSA-N 442.555 6.418 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OC(=O)c3cccnc3)c([N+](=O)[O-])c2)c1C 1875169295 OMDOPAKIGWZZHB-VQHVLOKHSA-N 430.460 5.339 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)cc3)c(OC)c2)cc1Cl 1875186150 GRXXCKYTQYLBSB-IZZDOVSWSA-N 436.891 5.781 30 10 IKEE C=C1C[C@@H]1[C@H](NCC)c1sc(Br)c(Br)c1Br 1902355278 HJYTVUSMKXZWRV-RCOVLWMOSA-N 430.003 5.262 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CC2)C1 1949347478 GKCCUDVQIXNJFX-DHIUTWEWSA-N 428.617 5.307 30 10 IKEE Cc1ccc(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 1950025261 DPNADBKBSDBFNY-YJLYGGOZSA-N 427.545 5.028 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C(C)(C)C1 2013253808 UNJJKDLBOLOCKZ-XMMPIXPASA-N 429.561 5.357 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)cc1 2031670610 SZCNXJCHYSAKAO-HXUWFJFHSA-N 441.503 6.179 30 10 IKEE CCCCCCCCCCCCCCCCCC[n+]1ccc(C=Cc2ccccc2)cc1 2040347173 NPLISAHFBGJFLE-UHFFFAOYSA-N 434.732 9.406 30 10 IKEE Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C=CC(=O)c1ccc(N2CCOCC2)cc1 2040458491 XKRCRGNKNGLQLI-UHFFFAOYSA-N 442.346 5.220 30 10 IKEE Cc1c(N=Cc2ccc(C(=O)C=Cc3ccc(Cl)cc3)o2)c(=O)n(-c2ccccc2)n1C 2040464629 VKTUMLBKUFPGRW-UHFFFAOYSA-N 445.906 5.378 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Cl)cc1Br 2077735065 HLBQNMNKOCVEJH-SJORKVTESA-N 429.786 5.060 30 10 IKEE ON=Cc1c(C2CC2)nn([C@H](c2ccc(C(F)(F)F)cc2)C2CC2)c1Br 2079856551 UWZFZZUJTXEPQS-INIZCTEOSA-N 428.252 5.349 30 10 IKEE COc1ccc([C@@H](C2CCC2)n2nc(C3(C)CC3)c(C=NO)c2Br)cc1C 2079987812 YRNAWCBZPWNNJP-GOSISDBHSA-N 432.362 5.212 30 10 IKEE N#Cc1c(-c2ccccc2)nn(Cc2cc(Br)ccc2F)c1Br 2080360900 UZQNBMFDUIARRH-UHFFFAOYSA-N 435.094 5.134 30 10 IKEE C[C@@H](C[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1)C(F)(F)F 2121446081 WVMPERGZQPHKSP-SJCJKPOMSA-N 435.284 6.061 30 10 IKEE N#C[C@@H](Nc1ccc(F)cc1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134726739 XXHYMCZHRFMACL-AREMUKBSSA-N 438.502 6.660 30 10 IKEE C=C[C@H](C1CC1)N(C)[C@@H](CN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2139827416 HOCCPCFRORNNCG-SXOMAYOGSA-N 442.603 5.741 30 10 IKEE Cc1nc(Nc2ccc(Cl)c(I)c2Cl)c(Cl)cc1C#N 2150321691 UYVFQTLRTDTUNQ-UHFFFAOYSA-N 438.483 5.570 30 10 IKEE COC1C(C)(C)C(C#N)(N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)C1(C)C 2169334579 XMEZTVIGCSTQCS-UHFFFAOYSA-N 437.378 5.534 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](CNc2ccc(C#N)c(Br)c2)[C@@H]2CCCC[C@H]21 2179394048 WPSKMVNLKFYODE-VDZJLULYSA-N 434.378 5.158 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(C)c(Br)c(C)c1 2227360525 SYBAHNROLMIDQT-HKUYNNGSSA-N 425.411 5.576 30 10 IKEE CC#CCCC[C@@H](NCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237408032 ZIXBIAARXVCSIR-UXHICEINSA-N 437.422 5.057 30 10 IKEE C#CCCCOc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C(=O)O)c1 2243586590 SBHFZEJFFHNJTP-UHFFFAOYSA-N 441.483 5.538 30 10 IKEE C#CCCCCCNC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2243918772 LCMWEPHLWPGHOV-SANMLTNESA-N 446.591 5.250 30 10 IKEE CC(C)(C)C#CC=CC[C@H](N)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2256733801 QIDNTBKXJGIGIN-HOFKKMOUSA-N 440.628 5.154 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](Nc2ccc(C#N)c(Br)c2)C[C@@H]2CCCC[C@H]21 2279522009 MLLDLLZAYGBUEV-POZUXBRTSA-N 434.378 5.301 30 10 IKEE C=CCCC1([C@@H](NCC)c2cc(Br)ccc2F)CN(C(=O)OC(C)(C)C)C1 2281039552 DHWLDPOXAVTHQD-SFHVURJKSA-N 441.385 5.442 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@H]2Nc1c(Br)cccc1C#N 2285181045 OPOGTYNOBVLXKL-GOSISDBHSA-N 428.330 5.767 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CCC[C@H](C1)[C@H]2Nc1ccc(C#N)cc1Br 2285782467 OKVMXMJLNGSBPL-LZAVGGOZSA-N 434.378 5.205 30 10 IKEE CC(C)[C@]1(Nc2cc(Br)cc(F)c2C#N)CCCN(C(=O)OC(C)(C)C)C1 2289958649 QUDGBTWYMFBGBR-FQEVSTJZSA-N 440.357 5.297 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OCC(=O)Nc1ccccc1 2293689813 LQDQRVPZVNETRM-UHFFFAOYSA-N 437.442 5.277 30 10 IKEE CC(C)(C)OC(=O)NC1(CCC(=O)C#Cc2cccc(Br)c2)CCCCC1 2296225442 VHAVJHVLUVBKFA-UHFFFAOYSA-N 434.374 5.378 30 10 IKEE CN[C@@H](C#Cc1cccc(Br)c1)C[C@H](CC(C)(C)C)NC(=O)OC(C)(C)C 2296271572 FZMWRVXTYXAVRT-RBUKOAKNSA-N 437.422 5.108 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@](C)(CCC)NC(=O)OC(C)(C)C 2296281847 PAVQIDJUBGAVQH-DENIHFKCSA-N 437.422 5.252 30 10 IKEE O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@@H](c2ccccc2)C1=C(O)c1ccccc1 2296928131 SBBXHXHFEBWASW-FQEVSTJZSA-N 430.460 5.062 30 10 IKEE CCCCCCCCCCOc1ccc(C2=NC(=Cc3cccc(OC)c3)C(=O)O2)cc1 2297297477 KRXMUTUJIGCAJY-UHFFFAOYSA-N 435.564 6.559 30 10 IKEE O=C(C=Cc1cn(C[C@@H](O)CN2CCc3ccccc32)c2ccccc12)c1cccs1 2297359352 LVUSTTLJPLEOCA-NRFANRHFSA-N 428.557 5.023 30 10 IKEE COc1cc(C=C2SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc([N+](=O)[O-])c1O 2297506329 CECVDZCKHKDGTD-UHFFFAOYSA-N 447.472 5.118 30 10 IKEE N#Cc1sccc1CSc1cc(I)ccc1Br 2300842138 NEKZSSPMBNLXCO-UHFFFAOYSA-N 436.137 5.279 30 10 IKEE CCCCOc1ccc(C=C2SC(=Nc3ccc(C)cc3O)N(CC)C2=O)cc1OC 2314927345 DINSNRXXLLEIKU-UHFFFAOYSA-N 440.565 5.512 30 10 IKEE COc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C2CC2)cc1OC 2320920977 VYNDVBLEOYECFY-UHFFFAOYSA-N 446.935 5.140 30 10 IKEE Cc1cccc(CSc2nnc(C)n2N=Cc2cccc(OCc3ccccc3)c2)c1 2321106686 YUMKVLNXJZKDAG-UHFFFAOYSA-N 428.561 5.648 30 10 IKEE COc1ccc(C=C2Oc3c(ccc4c3CN([C@H]3CCCC[C@@H]3C)CO4)C2=O)cc1OC 2322146069 WSRZWJAWDVQEQN-JXFKEZNVSA-N 435.520 5.051 30 10 IKEE COc1cccc(C=C2Oc3c(ccc4c3CN(Cc3cccc(Cl)c3)CO4)C2=O)c1 2322211716 LIJMAFYUAFFMTE-UHFFFAOYSA-N 433.891 5.317 30 10 IKEE CCCCOCCCN1COc2c(cc3c(c2C)OC(=CC=Cc2ccccc2)C3=O)C1 2322391499 UJAJTKQVXMCPSD-UHFFFAOYSA-N 433.548 5.526 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)c4ccc(C)cc4)cc(C)c3C2=O)cc1OC 2322671259 AJOIWRDICFRISP-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE O=C(C=Cc1c(OCc2ccccc2Cl)ccc2ccccc12)c1ccc2c(c1)OCO2 2322698754 KBDDPHREGVDJTI-UHFFFAOYSA-N 442.898 6.697 30 10 IKEE Cc1cc(OC(=O)c2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1ccc(C(C)C)cc1)O2 2322705090 FVGXQOHNKYCRMS-UHFFFAOYSA-N 432.903 6.607 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccccc4Br)c3C)C2=O)cc1 2322712028 YRZLFRUTAVPFDZ-UHFFFAOYSA-N 449.300 5.901 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccccc2F)c1C 2322836653 IOYHRBITIXMVCJ-UHFFFAOYSA-N 431.507 5.973 30 10 IKEE CCN(CC)C(=O)COc1ccc(Br)cc1C=CC(=O)c1ccc(C)c(C)c1 2322886681 XXYJPBDWSAQUJW-UHFFFAOYSA-N 444.369 5.209 30 10 IKEE CCc1ccccc1NC(=O)COc1cc(C=CC(=O)c2cccc(OC)c2)ccc1OC 2323069059 KCSFFYYCPKQAIJ-UHFFFAOYSA-N 445.515 5.180 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)C(Cl)=Cc3ccccc3)cc(C)c2C1=O 2323444267 YOUFCZPKDCNXOA-UHFFFAOYSA-N 430.887 6.105 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 2323554913 JEXNIPNUVTYGMA-UHFFFAOYSA-N 448.990 7.556 30 10 IKEE CCN(Cc1ccccc1)c1ccc(C=Nn2c(S)nnc2Cc2cccs2)cc1 2323555121 VFEPHWLIRXCLTA-UHFFFAOYSA-N 433.606 5.128 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1Cl 2323780515 ABSMOFNYOCTQSD-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(Cl)c2)C3=O)c1 2323802772 LUGVRMKEKHWWEH-UHFFFAOYSA-N 434.875 5.883 30 10 IKEE COc1cc(C=NNc2nc(-c3ccc(F)cc3)cs2)cc(Br)c1OC 2323858344 JYCAMVAGIIIALX-UHFFFAOYSA-N 436.306 5.175 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccs2)C3=O)c1 2323890257 CCWNKZKGQUEEOO-UHFFFAOYSA-N 434.469 5.207 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OCC(=O)Nc1ccccc1C 2323985125 MUQOCFDPUDWACJ-UHFFFAOYSA-N 447.506 5.755 30 10 IKEE C=CCOc1c(Br)cc(C=CC(=O)c2ccc3c(c2)OCO3)cc1OCC 2324097720 DGSFIEQOJMZMPD-UHFFFAOYSA-N 431.282 5.037 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OCC(=O)NC1CCCCC1 2324257572 STRMSMNUTJPUTJ-UHFFFAOYSA-N 443.490 5.087 30 10 IKEE COc1ccc(OCCCOc2ccc3c(c2C)OC(=Cc2sccc2C)C3=O)cc1 2324705988 QNAUOLLRSINCHI-UHFFFAOYSA-N 436.529 5.838 30 10 IKEE CCOc1ccccc1NC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1C)C2=O 2324893482 UVKHHPQSKIUMPU-UHFFFAOYSA-N 429.472 5.027 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OCC(=O)N[C@@H](C)c3ccccc3)c2C)C1=O 2325019964 VOERPEFGFXHOTM-IBGZPJMESA-N 427.500 5.176 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(C(F)(F)F)cc1 2325610648 KULONMNNYBEOMY-UHFFFAOYSA-N 442.869 5.826 30 10 IKEE O=C(C=Cc1cccc2ccccc12)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1 2325621851 UFVPZTSNDOUHEE-UHFFFAOYSA-N 441.914 6.293 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 2325712667 LTRGQXWQDMPSGW-UHFFFAOYSA-N 429.472 6.053 30 10 IKEE CCCCCCCCC(=O)Oc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC 2325721871 WACKCNHPJAABQG-UHFFFAOYSA-N 439.508 6.156 30 10 IKEE CCc1ccccc1OCC(=O)Oc1cccc(C=CC(=O)c2cc(C)cc(C)c2OC)c1 2325757742 GNLYSGISBGBQTJ-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccc(OC)cc1 2326074566 ZMBNCMSQMUFADL-UHFFFAOYSA-N 442.972 5.112 30 10 IKEE CCCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1sccc1C 2326145974 USPQQBQRCLMMBO-UHFFFAOYSA-N 435.018 5.882 30 10 IKEE Cc1ccc(COc2ccccc2C=Nn2c(C)nnc2SCc2ccccc2)cc1 2326211374 GXBRKVLCKLXSFI-UHFFFAOYSA-N 428.561 5.648 30 10 IKEE CCOc1cc(C=Nn2c(C)nnc2SCc2ccc(Cl)cc2)cc(Cl)c1O 2326350313 XBJLMPFBYNLCBS-UHFFFAOYSA-N 437.352 5.172 30 10 IKEE CCOc1c(OC)cc(C=Nn2cnnc2SCc2cccc3ccccc23)cc1OC 2326632589 SKTPWWLWZDZQIR-UHFFFAOYSA-N 448.548 5.022 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccccc1OCC(C)C 2326697892 ZMURYIJZDGNEAW-UHFFFAOYSA-N 449.407 6.103 30 10 IKEE Cc1ccccc1C=Nn1c(CCc2ccccc2)nnc1SCc1ccccc1C 2330164883 RKCBPRSLFYZVEV-UHFFFAOYSA-N 426.589 5.855 30 10 IKEE Fc1ccccc1C=Nn1c(SCc2cccc(Cl)c2)nnc1-c1cccs1 2330604439 AWRWGFOMRVLOSY-UHFFFAOYSA-N 428.945 5.974 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3cccc(OC)c3)cc2OC)c1 2330800206 DKBYPMSIHXVGGL-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE CCc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCC(=O)Nc2ccccc2C)cc1 2330824115 IXYQRXDWBRCXIC-UHFFFAOYSA-N 449.624 5.351 30 10 IKEE COc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccccc2Cl)cc1O 2330852039 DXIBSOUXCUPAHE-UHFFFAOYSA-N 444.988 5.409 30 10 IKEE Clc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2[C@@H]2CCCO2)cc1 2330979611 KLBVBRCPKHKSQC-QFIPXVFZSA-N 448.979 6.111 30 10 IKEE COc1ccc(OC)c(C=Nn2c(SCc3ccc(F)cc3)nnc2C2CCCC2)c1 2331031709 SLTGBXBOCOKJJX-UHFFFAOYSA-N 440.544 5.267 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C2CCCC2)c1 2331049808 YNPZTRHREUNBFU-UHFFFAOYSA-N 437.525 5.032 30 10 IKEE Cc1nc2ccc(C(=O)Oc3ccc(C=CC(=O)c4ccc(F)cc4F)cc3)cc2nc1C 2331084475 IVUYVYINZFPBSN-UHFFFAOYSA-N 444.437 5.640 30 10 IKEE Clc1ccc(CSc2nnc(C3CCCC3)n2N=Cc2cccs2)cc1Cl 2331093070 JACREQISMAJCOY-UHFFFAOYSA-N 437.421 6.479 30 10 IKEE Cc1cccc(CSc2nnc(C(F)(F)F)n2N=Cc2c(F)cccc2Cl)c1 2331123009 QDNPXKMGIWDIEC-UHFFFAOYSA-N 428.842 5.572 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3cccc(Cl)c3)cc2[N+](=O)[O-])cc1 2331123954 RZIXFQLPDIKWFN-UHFFFAOYSA-N 435.863 5.601 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)c1ccco1 2331129290 XSKYCWDFLXOJNZ-UHFFFAOYSA-N 431.271 6.100 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OC(=O)Cc1ccc(F)cc1 2331129952 MIYSZYFSSAZNML-UHFFFAOYSA-N 438.882 5.922 30 10 IKEE C=C(C)CSc1nnc(-c2ccco2)n1N=Cc1ccc(OCCCCC)c(OC)c1 2331204918 IJUPQMFRRDHNFS-UHFFFAOYSA-N 440.569 5.666 30 10 IKEE CC(C)COC(=O)CSc1nnc(-c2ccco2)n1N=Cc1ccc(C(C)(C)C)cc1 2331225258 DLJWJNUNHUMSPX-UHFFFAOYSA-N 440.569 5.009 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])c1 2331273679 MWWLVLPHBGRQHA-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)c3ccncc3)c(Br)c2)ccc1F 2331337974 NYRVIYNWXSISJX-UHFFFAOYSA-N 440.268 5.407 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccccc1OC 2331430780 YKXNENNVWVMDOL-UHFFFAOYSA-N 444.527 6.117 30 10 IKEE CCc1ccc(C=Nn2c(SCC(=O)Nc3cc(C)ccc3C)nnc2C2CCC2)cc1 2331484477 AWBRWEINKLFJGJ-UHFFFAOYSA-N 447.608 5.338 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)c(C)c3)c([N+](=O)[O-])c2)cc1C 2331707317 OGVSIAAQNXFVPK-UHFFFAOYSA-N 429.472 5.944 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(O)cc1O 2331708634 CNEXWINHKWCEMP-UHFFFAOYSA-N 437.352 5.294 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)c1cccc(C)c1 2331709961 NQFOMDVPGMOILG-UHFFFAOYSA-N 440.539 6.464 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)COc1c(C)cccc1C 2331716347 TWOBPPPKMWYXCJ-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE CC#CCN(C[C@@H](NCCC)c1ccc(Br)c(Cl)c1)C(=O)OC(C)(C)C 2337900643 HUARDBCGFRDCGG-GOSISDBHSA-N 443.813 5.404 30 10 IKEE CCC[C@@H](CCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339589775 CALVCUXPCKVSHA-IBGZPJMESA-N 446.397 5.189 30 10 IKEE Cc1ccc(-c2nc3ccccc3o2)cc1/N=C/c1cc(Br)cc(Cl)c1O 1922775 LRYNJNCZFJUICH-BHGWPJFGSA-N 441.712 6.675 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)/C=C/c2ccc(Cl)cc2Cl)nc2ccccc12 12239505 ABXVSOCIEMRJQY-VQHVLOKHSA-N 448.313 5.559 30 10 IKEE O=C(CCCOc1ccc(Cl)cc1Cl)/N=C1/N=C2C=CC=CN2Cc2ccccc21 15906634 YTSUVXHCOXETFC-SLEBQGDGSA-N 440.330 5.423 30 10 IKEE CCOc1ccc(N/C(=N\C(=O)c2ccccc2)NCCc2c[nH]c3ccccc23)cc1 32943186 ZIUZGDDMFDERIF-UHFFFAOYSA-N 426.520 5.007 30 10 IKEE CCn1nc(C)c(CN/C(=N/C(=O)c2cc(C)cc(C)c2)Nc2cccc(Cl)c2)c1C 32972037 CVNWGTBCJHHASW-UHFFFAOYSA-N 437.975 5.188 30 10 IKEE C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCN(c5cc(Cl)ccc5C)CC4)[C@H]3C[C@H]12 34367768 YQZIRLKEPCVJRH-ZWYILXQBSA-N 443.031 5.085 30 10 IKEE biogenic CCCCc1ccc(-n2c(C)cc(/C=C3\S/C(=N\c4ccccc4)NC3=O)c2C)cc1 34705045 VOHVSKPGZYWERK-ULJHMMPZSA-N 429.589 6.328 30 10 IKEE Cc1c(C(=O)c2sc3cc(Cl)ccc3c2Cl)c(O)n(C2CCCC2)c(=O)c1C#N 38617701 FFOZPONMIPRSIR-UHFFFAOYSA-N 447.343 5.602 30 10 IKEE C=CCn1c(SCc2ccc(C(=O)Nc3cccc(C)c3)cc2)nnc1-c1ccccc1 39850664 DYSMAKVPUGJADY-UHFFFAOYSA-N 440.572 5.984 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccccc2OC)S/C1=N/c1nc(-c2ccccc2)cs1 39865854 SRPFYISYAQVRRL-QJYUKRAPSA-N 433.558 5.609 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(C(C)C)cc2)S/C1=N/c1nc(-c2ccccc2)cs1 39865885 OFFZIOZQXLVCET-YEVPVSBLSA-N 445.613 6.724 30 10 IKEE CN(C)c1ccc(/C=C2\S/C(=N/c3cccc(C(=O)O)c3)N(c3ccccc3)C2=O)cc1 39866773 AIWJSDCFQQYJSQ-INCSMEFSSA-N 443.528 5.259 30 10 IKEE C=CCc1ccccc1OCCn1c([C@H]2CC(=O)N(C3CCCCC3)C2)nc2ccccc21 40271768 LSGDPOJEGCIGDM-QFIPXVFZSA-N 443.591 5.492 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3cc(OC(=O)c4cccc(C)c4)cc(C)c3C2=O)c1 41355205 UZXVYRCHPLXEPB-QRVIBDJDSA-N 430.456 5.156 30 10 IKEE C=Cc1ccc(COc2cc(C)c3c(c2)O/C(=C\c2ccc(OC)c(OC)c2)C3=O)cc1 41504568 RQAVKXKLYISNDD-QFEZKATASA-N 428.484 5.850 30 10 IKEE COc1cc(/C=C/C(=O)Nc2cccc(OCCCC#N)c2)cc(Cl)c1OC(C)C 71975079 DXAFQTLYWSLWDZ-MDZDMXLPSA-N 428.916 5.470 30 10 IKEE CCCCCCCOc1cccc(NCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1 100089800 NGMPZKJLTIONKM-UHFFFAOYSA-N 443.802 7.047 30 10 IKEE CN1C(=O)C[C@@H](C(=O)Nc2ccccc2Cl)S/C1=N\c1ccc(Cl)c(Cl)c1 100262710 MJYUMRURLWJKOW-YUCJCZDXSA-N 442.755 5.237 30 10 IKEE CCCCCCOc1c(OC)cc(/C=N/Nc2ccc(OC)c(Cl)c2)cc1[N+](=O)[O-] 169877275 BDQUWMCKOAPSCX-OEAKJJBVSA-N 435.908 5.671 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)ccc2C)cc1 169924684 QZSCWFALQZGEPU-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1c1cccc(C)c1 169941710 NXBLKDXRSHEESS-XMMPIXPASA-N 439.467 5.533 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(Cl)c2)[C@H]1c1cccs1 169986426 NIFKADAHOZWRFR-FQEVSTJZSA-N 439.920 5.501 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccccc1F 170070263 CDHJHJHZJOPRGU-NRFANRHFSA-N 437.854 5.271 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccccc2C)cc1C 170087086 HJMUXOPCXNTPSP-RUZDIDTESA-N 440.543 5.461 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1ccc(O)cc1 170133356 RTUSTGYLZQCTPS-DEOSSOPVSA-N 443.499 5.271 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(O)cc2)cc1C 170138516 TWJKSTUIZYJGNB-QHCPKHFHSA-N 435.520 5.010 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2cccc(C)c2)c(C)c1 170140043 YUMOVYYYSNOSPT-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@H]1c1cccs1 170165401 AQGYNSODIVJYJW-HSZRJFAPSA-N 447.556 5.624 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2)c1 170223327 IZVDRRPZGWKJEO-QHCPKHFHSA-N 431.463 5.397 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1ccc(F)cc1 170240129 XNDNMJYLPPEXIH-HSZRJFAPSA-N 445.490 5.542 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2)[C@H]1c1ccc(C(C)C)cc1 170245905 VQASYAAREDMLMA-XMMPIXPASA-N 435.564 5.977 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@H]2c2ccco2)c(C)c1 170289506 VBOBWJVJBJMEDZ-XMMPIXPASA-N 445.515 5.775 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(C)o2)c1 170299059 XBMYWQOUDSWWMI-FQEVSTJZSA-N 441.842 5.172 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3cc(OC)ccc3Cl)=C(O)C(=O)N2CCC)c1 170323648 SIAZUVIMBXQRQY-NRFANRHFSA-N 443.927 5.126 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccco2)=C(O)C(=O)N1c1ccc(C(C)(C)C)cc1 170333394 CYDHPYMJUYPYJK-QFIPXVFZSA-N 431.488 5.369 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)c1 170374475 GCNOUYUEQUEGDA-JOCHJYFZSA-N 433.891 5.522 30 10 IKEE CC(C)COc1ccc(C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1 170494003 IWATVRZEOPVVMB-UHFFFAOYSA-N 436.511 6.772 30 10 IKEE C(=N/Nc1nnc(SCc2cccnc2)[nH]1)\c1ccc2ccc3cccc4ccc1c2c34 253565404 HRPRMHXNQXKGMJ-MZJWZYIUSA-N 434.528 5.835 30 10 IKEE Cc1ccc(N=C(c2ccccc2)[C@H]2SC(=N)N(c3ccccc3)[C@@H]2c2ccccc2)cc1 254391868 BJWFNANIWVLDLW-VSGBNLITSA-N 447.607 7.414 30 10 IKEE O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)N1CCCSC1=Nc1ccccc1 254511018 QWGATHOOTNWLKQ-WZGNDQMWSA-N 447.442 5.764 30 10 IKEE CCN1C(=O)/C(=C2\Sc3ccccc3N2C)SC1=Nc1ccc(-c2ccccc2)cc1 254866259 CVPFOUAZYJXPCJ-CJKMRZRNSA-N 443.597 6.348 30 10 IKEE CCCCOc1cccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)c1 526523259 WRVMZUWWDKFSSC-VWLOTQADSA-N 442.490 5.933 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1c(Cl)cccc1Cl 526802140 DVBCUESAAIITEI-MSXFZWOLSA-N 437.371 6.241 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(CCCC#N)c2ccc3c(c2)OCO3)cc1 586231320 QHWNUPDOWUUJON-UHFFFAOYSA-N 428.554 5.037 30 10 IKEE CC1=C(/C=C\C(C)=C/C=C/C(C)=C\C=NNc2nc3ccccc3s2)C(C)(C)CCC1 606375481 KCMAPBCFQUECSB-IUKFIVMYSA-N 431.649 8.226 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 699658844 KNTNUUQAGBWCJF-UQBPGWFLSA-N 443.588 5.666 30 10 IKEE 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 700605730 ULYMDNKCDFNHNC-HCWCBTOOSA-N 433.593 5.094 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c1ccc(F)cc1)C2 709360765 AHKGDTPIGWBXLF-UXSWERMXSA-N 445.535 5.249 30 10 IKEE Cc1ccc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(C#N)cc2)c1 762440228 LKJNFNZHVVEICO-UHFFFAOYSA-O 431.928 5.003 30 10 IKEE O=[N+]([O-])c1cccc(C=Nc2ccc3nc(SCc4nc5ccccc5[nH]4)sc3c2)c1 1084022870 HMNMQFWMEGYUDQ-UHFFFAOYSA-N 445.529 6.124 30 10 IKEE O=C1/C(=C/c2ccccc2)SC(=Nc2ccc(Cl)cc2)N1c1ccc(Cl)cc1 1084307892 DVQCBBLRVBYYFY-FTNSYOLJSA-N 425.340 6.802 30 10 IKEE C[C@H]1CCCCN1CCC/N=C(/Nc1cc(C(C)(C)C)ccc1O)NC1CCCCC1 1088685111 KAQTWHBNHPZQDZ-FQEVSTJZSA-N 428.665 5.644 30 10 IKEE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1C(=NNc1ccccc1)CCC2 1772750754 KIAKQZVUNTVGEN-UHFFFAOYSA-N 429.303 6.267 30 10 IKEE Cc1ccccc1C=NN=C1S/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccco1 1772757155 MKCPQCFEXVEKOS-JWIJGFOBSA-N 446.488 5.003 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc3c(OC(=O)Nc4ccccc4C#N)cccc23)c1 1858780352 WRUHVJHFQPNZDS-UHFFFAOYSA-N 432.439 5.446 30 10 IKEE CCOc1ccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)nn2-c2cccc(Cl)c2)cc1 1859407108 OKVJGPCKSCSYRV-UHFFFAOYSA-N 442.906 5.715 30 10 IKEE N#Cc1cnn(-c2ccccc2)c1NC(=O)c1ccc2oc(-c3ccccc3Cl)nc2c1 1859744163 TZARAJZUNSIIAP-UHFFFAOYSA-N 439.862 5.458 30 10 IKEE Cc1ccc(C(=O)CCC(=O)Nc2cc(NC(=O)c3cccc(C#N)c3)ccc2Cl)cc1 1860461761 PXKPCGYCBSVMNF-UHFFFAOYSA-N 445.906 5.374 30 10 IKEE Cc1ccc(-c2csc(SCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)n2)cc1 1860795875 PADSPJBFJWDXBJ-CQSZACIVSA-N 439.631 5.907 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc2ccccc2[nH]1 1861386301 AGNXEKOPBDCJLV-QHCPKHFHSA-N 437.559 5.125 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(N(C)C)cc1 1862446971 FMUGOYGPYVJUSQ-QFIPXVFZSA-N 440.971 5.565 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(OCc2ccccc2)c1 1862454688 DAGOGMREYWLWGP-HSZRJFAPSA-N 447.918 5.517 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1cccc(O)c1)c1c(F)cc(F)cc1F 1862457294 MLZLQUJXSJANRU-NRFANRHFSA-N 445.437 5.111 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OCCCC)cc1 1862481662 CTAVYSRNZZVLSS-RUZDIDTESA-N 449.591 6.333 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCCCC2)cc1 1862489122 PXUHBIUXYGVEHB-RUZDIDTESA-N 431.576 6.167 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccc(OC)cc2)cc1 1862535149 ALSMINWWHOFUFO-VWLOTQADSA-N 447.575 5.949 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2[C@H](C)CC)c1 1862618707 HNGIAKHQMSWBMV-UZUQRXQVSA-N 435.564 5.760 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CC(C)C)cc1 1862654825 SNIHXWFLWQHWPV-XMMPIXPASA-N 429.516 5.473 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CC)cc1 1862658629 SYLYZHXIVUVDOU-XMMPIXPASA-N 428.532 5.284 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(C(C)C)cc3)[C@H]2c2ccccc2)c1 1862660106 HVMQVIZKTFIWQK-AREMUKBSSA-N 439.555 6.205 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc3ccccc23)cc1 1862667247 WVPADPWCTRBVGD-VWLOTQADSA-N 442.559 5.103 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2Cl)[C@@H]1c1ccccc1F)c1ccc(F)cc1 1862674119 SQLMTOISNYUXJI-OAQYLSRUSA-N 439.845 5.397 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@@H]2c2ccccc2C)cc1 1862688472 YEUPMGDHTSEIBL-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE N#Cc1ccccc1NC1=C(c2ccc(F)cc2)C(=O)N(c2ccc3ccccc3c2)C1=O 1862764420 NNCMJMWSHITTSD-UHFFFAOYSA-N 433.442 5.247 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cccc4c3CCCC4)C2=O)cc1C 1862884470 PRKDQKCDARXFPB-UHFFFAOYSA-N 447.538 5.451 30 10 IKEE N#Cc1cccc(NC2=C(c3ccccc3Cl)C(=O)N(c3cccc4ccccc34)C2=O)c1 1863072611 XHLWUZYDHNUMEA-UHFFFAOYSA-N 449.897 5.761 30 10 IKEE Cc1cc(C2=C(Nc3cccc(C#N)c3)C(=O)N(Cc3ccccc3Cl)C2=O)ccc1F 1863462974 VDOTVBLOCMMZBU-UHFFFAOYSA-N 445.881 5.051 30 10 IKEE CCCCCCCCN1C(=O)C(NCC(C)C)=C(c2ccc(Br)cc2)C1=O 1863559590 VBKILOGCXFRUDS-UHFFFAOYSA-N 435.406 5.135 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccc(C)cc2)=C(c2ccccc2[N+](=O)[O-])C1=O 1863597086 SUQCINYTSXNYFJ-UHFFFAOYSA-N 449.551 5.133 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(C)c(C)c2)C(=O)N(Cc2cccnc2)C1=O 1863603805 QRHSRUDWQBBKGT-UHFFFAOYSA-N 447.623 5.709 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCc2ccccc2)=C(c2ccccc2F)C1=O 1863647915 FDBKKJWZHLRMQU-UHFFFAOYSA-N 436.571 5.489 30 10 IKEE CCCCCCCCCCCC(=O)N[C@@H](CC(=O)O)c1ccc(OCCC)c(OC)c1 1865985029 WHTNHVRZJBUDCP-NRFANRHFSA-N 435.605 6.037 30 10 IKEE CCCCCCCCC(=O)Nc1cc(OCC)c(NC(=O)c2ccccc2)cc1OCC 1866090199 NOTACCUINRQBKN-UHFFFAOYSA-N 440.584 6.425 30 10 IKEE CCC[C@H](NC(=O)C[C@H](c1ccc(Cl)cc1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866751263 VEJQKHGZLJPEBA-VXKWHMMOSA-N 425.960 5.265 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC(Oc3ccc(OC)cc3)CC2)nc(C(C)(C)C)n1 1869184581 ZNHFHCVAQLEVLY-UHFFFAOYSA-N 436.600 5.009 30 10 IKEE CCCCCCCCn1cc(OCC(=O)Nc2ccccc2)c(=O)cc1CSC(C)C 1870214102 YUMMYQNDTLTXPR-UHFFFAOYSA-N 444.641 5.868 30 10 IKEE CCCn1cc(OCc2ccccc2)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870270426 NCVZHDRXWWQMOY-UHFFFAOYSA-N 433.577 5.322 30 10 IKEE CCCCCCCOc1cn(Cc2ccncc2)c(CNc2cc(C)ccc2C)cc1=O 1870836477 YATUOSYFOOVUMS-UHFFFAOYSA-N 433.596 5.870 30 10 IKEE CCCCCCCCn1cc(OCCCCCC)c(=O)cc1CNc1cc(C)ccc1C 1871125379 YAGKWEGKYOJJKD-UHFFFAOYSA-N 440.672 7.397 30 10 IKEE COc1ccc(Br)cc1/C=C1\Oc2cc(OC(=O)C3CCC3)cc(C)c2C1=O 1871362467 FRYJMEHXNGSUOP-GRSHGNNSSA-N 443.293 5.088 30 10 IKEE Cc1c(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cccc1[N+](=O)[O-] 1871372456 SCALSUAZQJFZJS-NHDPSOOVSA-N 435.819 5.392 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 1871378029 RCRIMVKMZZSAGN-PKAZHMFMSA-N 438.523 6.846 30 10 IKEE Cc1cc(O)c(CN2C[C@H](C)O[C@@H](C)C2)c2c1C(=O)/C(=C/c1ccc(Cl)c(Cl)c1)O2 1871395357 PAQZCJAOXXJMNL-OOGPTDTPSA-N 448.346 5.233 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2C)C3=O)c(C)c1 1871410202 BFVCGYPEBNSZCP-ILRHRSLTSA-N 427.500 5.634 30 10 IKEE Cc1cc(OCC(=O)NC2CCCCC2)cc2c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O2 1871437775 BQUXJTSTLGOMFK-OYKKKHCWSA-N 433.548 5.562 30 10 IKEE CCCCCCCCN=c1nc(N(CCC)CCCC)[nH]c(=Nc2ccc(C)cc2C)[nH]1 1871602407 ODEQQTARIMJQPF-UHFFFAOYSA-N 440.680 5.865 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccccc1 1872233700 USSCUQXJRWCZIE-NRFANRHFSA-N 434.989 5.104 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)CCCC 1872299246 YDGBQHPMSUXQSP-FQEVSTJZSA-N 429.026 5.010 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1cccs1 1872457472 WIJGJYXDALRFKN-GOSISDBHSA-N 441.018 5.084 30 10 IKEE COc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 1872759339 KYNXLGQWAGMAHZ-BFFNPARHSA-N 436.536 6.375 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC 1872760438 OIRDBOFNPXZQBY-PDFOZTTASA-N 449.488 5.015 30 10 IKEE CC(C)c1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(Br)cc3)n2)cc1 1872775613 VPZOCYKQXRCQAY-IBGZPJMESA-N 439.378 6.115 30 10 IKEE Cc1cc(OCCCC(=O)[C@H](C#N)c2nc(-c3ccc(F)cc3)cs2)cc(C)c1Cl 1872776057 HJPRAAYJOFPSGS-IBGZPJMESA-N 442.943 6.255 30 10 IKEE N#C[C@H](C(=O)COc1ccc(Cl)cc1Cl)c1nc(-c2ccc(F)c(F)c2)cs1 1872779725 PRUJWMNYOYQOAV-GFCCVEGCSA-N 439.270 5.650 30 10 IKEE CCOc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2cc(C)cc(C)c2OC)cs1 1872781744 YVICBMSHPRBYQQ-SFHVURJKSA-N 436.533 5.090 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2C)C(=O)N(Cc2cc(C)ccc2C)C1=O 1873103894 FFSSEJFUMVJYRY-UHFFFAOYSA-N 432.608 5.842 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc([N+](=O)[O-])cc2C)=C(c2ccccc2)C1=O 1873413515 GUPVJFOSNYKUGN-UHFFFAOYSA-N 435.524 5.456 30 10 IKEE C=CCN(CC=C)c1nc(Nc2ccc(CCCC)cc2)c2cnn(-c3ccccc3)c2n1 1873481654 JCZXIFJFGIIHGT-UHFFFAOYSA-N 438.579 6.080 30 10 IKEE N#Cc1ccccc1NC(=O)COc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1 1873868383 ADTCVPCDJOYLHX-UHFFFAOYSA-N 430.847 5.003 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1cccc(F)c1 1874216394 SHOMVMSVYGLYSK-AFUMVMLFSA-N 444.963 5.633 30 10 IKEE CCCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1c[nH]c2ccccc12 1874232187 FNNRPXJQIUSPEW-MTDXEUNCSA-N 439.588 6.082 30 10 IKEE Cc1ccccc1CSc1nnc(CCCOc2ccccc2)n1/N=C/c1ccco1 1874316326 OEELEWRRJONKJW-KOEQRZSOSA-N 432.549 5.366 30 10 IKEE CCSc1nnc(COc2cccc(C)c2C)n1/N=C/c1ccc(C(F)(F)F)cc1 1874324097 XZPHOCNTACMTJJ-BRJLIKDPSA-N 434.487 5.487 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(COc2cccc(C)c2C)nnc1SCC=C 1874324419 DODLOUVXTGFAGR-PCLIKHOPSA-N 434.565 5.199 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccccc2)c(C)c1 1874325699 CLISOARVFCOOGG-JFLMPSFJSA-N 446.551 5.788 30 10 IKEE Cc1cccc(CSc2nnc([C@H](C)c3ccccc3)n2/N=C/c2cccc(Cl)c2)c1 1874394067 FXBVSKQAIXCETB-BWJYWGHISA-N 447.007 6.566 30 10 IKEE Fc1cccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2cccc(Cl)c2)c1 1874408758 OMHQLUMTXKFNRK-CVKSISIWSA-N 442.991 6.368 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2ccccc2Cl)c1 1874416142 ZZOOLQXLDSRKJS-WGOQTCKBSA-N 432.980 6.005 30 10 IKEE Fc1ccccc1CSc1nnc([C@H]2CCCO2)n1/N=C/c1c(F)cccc1Cl 1874446208 VPALEACVXKJZCE-SFQCIDFKSA-N 434.899 5.236 30 10 IKEE COc1cc(/C=N/n2c(CC(C)C)nnc2SCc2ccccc2C)cc(Cl)c1O 1874487124 ANFOPISVNVCOHP-WYMPLXKRSA-N 444.988 5.327 30 10 IKEE CC(C)Cc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874491115 ADYBLAKXYSKAHD-CVKSISIWSA-N 441.044 6.602 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2C2CCC2)cc1 1874495933 MECJEIRVCHDUBO-LGUFXXKBSA-N 434.609 5.942 30 10 IKEE COCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874502951 INSDMGWVGDNICF-YSURURNPSA-N 440.878 5.271 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874527780 FETGSPLOLQECSZ-UFFVCSGVSA-N 436.324 5.230 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2cccc(Cl)c2)c1OCCc1ccccc1 1874577412 MQXCIVWPMAXLDE-ZHACJKMWSA-N 427.327 6.520 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C)cc2C)c1OCc1ccc(Cl)c(Cl)c1 1874578709 CKGBQXIEKJEXIR-FMIVXFBMSA-N 441.354 7.094 30 10 IKEE COC(=O)COc1c(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc(Cl)cc1OC 1874590500 LOCAQJHZKDNUEF-CSKARUKUSA-N 430.928 5.402 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3c(C)cccc3C)c(Cl)c2)cc1 1874609326 KSAYFVHXQUFRBK-NTUHNPAUSA-N 449.934 5.879 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Cl)c1OCc1cccc(C)c1 1874611093 AXUXGALXNSDRQO-RMKNXTFCSA-N 428.862 6.410 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(OC)c1OCc1cccc(F)c1 1874612526 YYHWXAJRLFDECH-MDZDMXLPSA-N 426.871 5.971 30 10 IKEE C=C(C)COc1c(OCC)cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)cc1[N+](=O)[O-] 1874636086 INEPLCBODOKXGW-SOFGYWHQSA-N 431.872 5.507 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)ccc1OCCc1ccccc1 1874638462 AXGQRRMKSHZFLS-NTCAYCPXSA-N 438.523 6.375 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OC(=O)C(C)(C)C 1875088584 VQPMYCSISBDNDQ-MDZDMXLPSA-N 431.872 5.495 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1OC(=O)CC 1875105212 JIZIGULTCAMZSD-VMPITWQZSA-N 438.263 5.512 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3ccccc3)c(OC)c2)cc1 1875106693 GSGLSXFYQLYQDD-SAPNQHFASA-N 444.527 6.162 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3-c3ccccc3)cc2)cc1C 1875107427 PLAYVKMOWSPNDS-NBVRZTHBSA-N 448.518 6.786 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1)c1ccccc1 1875126846 DTTSPWRSPDQJRG-UXBLZVDNSA-N 442.254 6.017 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3C)c(Cl)c2)cc1 1875129420 BBAYGHPZPCGJBA-OVCLIPMQSA-N 448.946 6.481 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2OC)cc1 1875134103 KSIMWWFLWAWVKY-RIYZIHGNSA-N 444.527 5.755 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3F)c([N+](=O)[O-])c2)c(C)c1 1875134770 KOKMNYYFYSZQHL-DHZHZOJOSA-N 433.435 5.395 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)cc3F)cc2)cc1 1875149117 ZAMROXQUEWJIJA-GIDUJCDVSA-N 434.482 6.307 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)c2cc(C)cc(C)c2)cc1 1875161505 TWUBRNSXKAETDO-UKTHLTGXSA-N 442.555 6.725 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc(Cl)c2)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 1875162486 KLXXQINTHBFUSS-XBXARRHUSA-N 443.789 5.642 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)Cc1ccccc1 1875166771 SEDSNEYTSINSPH-SDNWHVSQSA-N 444.527 5.755 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2cnccn2)c(Cl)c1 1875180843 BGLXCJVXACHXSZ-HWKANZROSA-N 443.286 5.216 30 10 IKEE C=C1CC(CSCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)C1 1885753725 QLCISWKNUBVCTQ-HSZRJFAPSA-N 437.561 5.068 30 10 IKEE C=CC[C@H](C)[C@H](NC)c1sc(Br)c(Br)c1Br 1903133308 OETOYDLKYQHFBF-RCOVLWMOSA-N 432.019 5.508 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(CCC[C@@]2(C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)C1 1918265112 RQYXQQDIIHSSPW-DQEYMECFSA-N 447.620 5.630 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1ccc(NC(=O)OC(C)(C)C)c(F)c1 1922067768 DOOCKGHRCZWMAG-HSZRJFAPSA-N 428.548 5.986 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)C(C)(C)C1CCN(C(=O)OC(C)(C)C)CC1 1922108755 WRJPQDMBPUNXHV-XMMPIXPASA-N 444.660 5.801 30 10 IKEE C=C([C@@H](NCCC)[C@H](O)c1cc(Br)c(Br)s1)[Si](C)(C)C 1922914510 HQQFRDMTZHEEEY-CHWSQXEVSA-N 441.305 5.108 30 10 IKEE CCCCCCCCCC[C@H](N)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1947478850 DOIQOOGZABIQSK-ZEQRLZLVSA-N 434.665 6.345 30 10 IKEE CC(C)(C(=O)O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc(C#N)cs1 1952147327 FZHXRDHRLAXCDX-JOCHJYFZSA-N 446.528 5.310 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 1996777592 QCYDFIYFAHCUEC-JLLPCOHGSA-N 428.617 5.021 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)C1(C#N)CCC2(CCCN2C(=O)OC(C)(C)C)CC1 2002570883 MDRGVEABURGPOL-BIOCXDLKSA-N 435.609 5.628 30 10 IKEE CN(CCC[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1)C(=O)OC(C)(C)C 2002713532 YROZBYGCCKACNT-QHCPKHFHSA-N 435.540 5.497 30 10 IKEE C[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)[C@H](C)CN1C(=O)OC(C)(C)C 2031999370 HLFJJJFNOPMNSI-HOZJOUCCSA-N 447.551 5.495 30 10 IKEE CC(C)(C)OC(=O)NCC[C@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C1 2037234835 ZZHRTUCYLMNXGA-MZNJEOGPSA-N 447.551 5.544 30 10 IKEE CC(C)N[C@]1(C#N)C[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)CC[C@@H]1C 2055585060 NYQKEAZDODMEFJ-WIRXVTQYSA-N 432.656 5.070 30 10 IKEE CC(C)(C)[C@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)(F)F)c(C=O)c1Cl 2079977019 GOTZNPDGBGRDNY-ZDUSSCGKSA-N 430.751 6.161 30 10 IKEE CC(C)(C)OC(=O)N1CCc2cc(Nc3cc(Br)ccc3C#N)ccc2C1 2162328064 DXYSSAQZUAKDMN-UHFFFAOYSA-N 428.330 5.358 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc2c1CN(c1ccc(Br)cc1C#N)CC2 2174814440 HZUJZJIDSVUOLZ-UHFFFAOYSA-N 428.330 5.230 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)[C@@H]1C[C@H]1c1ccccc1 2200299031 UWWQXXXZCPKGLG-XUVXKRRUSA-N 427.342 5.886 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(NC(=O)OC(C)(C)C)cc2)c1Br 2207369433 VSUNAEDHUHOBBR-UHFFFAOYSA-N 432.314 5.701 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@@](C)(CNC(=O)OC(C)(C)C)C(F)F)NCCC 2216261737 JTHIGMXTNASOIG-YKSBVNFPSA-N 440.575 5.314 30 10 IKEE C=CCCCC[C@H](NC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229113395 WZVMFURZTGGARK-RBUKOAKNSA-N 425.411 5.219 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2c(F)ccc(Br)c2F)c1 2239742130 BSHWYQUPLBDSEA-MRXNPFEDSA-N 437.284 6.042 30 10 IKEE Cc1cccc2c1CC[C@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2240162450 QRYZMZAURMLKEX-JOCHJYFZSA-N 427.342 5.864 30 10 IKEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)c1ccccc1 2267227302 AJRCWTYOCCGZEE-UHFFFAOYSA-N 427.353 5.141 30 10 IKEE CC(C)(C)OC(=O)NCc1c(Cl)cccc1Nc1c(Br)cccc1C#N 2269684937 DDLXXGDXEXLHJY-UHFFFAOYSA-N 436.737 5.742 30 10 IKEE COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@H]3C=Cc2ccccc2)cc1 2294335077 LFSSYFWGTHSGLA-RLWLMLJZSA-N 447.538 6.126 30 10 IKEE CCN[C@@H](C#Cc1cccc(Br)c1)C1(NC(=O)OC(C)(C)C)CCCCC1 2296217279 SMRKHSYQJQBAMZ-IBGZPJMESA-N 435.406 5.006 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@](C#N)(N(Cc1cccs1)C(=O)OC(C)(C)C)C2 2304989622 MEFKQNBVDCYHFV-TXBYWVTISA-N 447.601 5.167 30 10 IKEE COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2SC(=Nc3cc(C)ccc3C)NC2=O)o1 2313514036 NISUCCGFDAZTIZ-UHFFFAOYSA-N 449.488 5.372 30 10 IKEE Cc1ccc(-c2ccc(C=CC(=O)n3cc(C#N)c4ccccc43)o2)c(Br)c1 2314014939 ZVIQPUXIIILBCH-UHFFFAOYSA-N 431.289 6.198 30 10 IKEE CCOc1ccc2oc(C)c(C(=O)Oc3ccccc3C=CC(=O)c3ccc(C)cc3)c2c1 2314429178 AFDANKXEEDPZBL-UHFFFAOYSA-N 440.495 6.564 30 10 IKEE CC(C)=C(CN(C)[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21)B1OC(C)(C)C(C)(C)O1 2317859956 VYWUTQDPCVYATC-HYVLGVRCSA-N 425.422 5.270 30 10 IKEE CCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1N=Cc1ccc(C(C)(C)C)cc1 2320940763 UTKXOFKWKZNFQI-UHFFFAOYSA-N 449.624 5.368 30 10 IKEE Cc1c(OCc2cc(Cl)cc3c2OCOC3)ccc2c1OC(=Cc1cccs1)C2=O 2321876808 QOLPQMDTFNBBKT-UHFFFAOYSA-N 440.904 5.772 30 10 IKEE CC(C)(C)c1nnc(S)n1N=Cc1ccccc1OCc1ccc(Cl)cc1Cl 2321908572 KKSKVJRLYGQDQL-UHFFFAOYSA-N 435.380 5.632 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)O3)CN([C@H](C)c1ccccc1)CO2 2322092595 VXCWOBSWVBTAQC-QGZVFWFLSA-N 442.471 5.433 30 10 IKEE CCN(CC)CCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1sccc1C)C3=O 2322123051 IWRARZCETWNGFX-UHFFFAOYSA-N 440.609 5.255 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2ccccc2CC)cc1 2322371209 WUOVFCBSYMCBJW-UHFFFAOYSA-N 443.543 5.734 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccco1)C3=O)CN(C1CCCCCCCCCCC1)CO2 2322402003 NLDLYGLLAVDGQE-UHFFFAOYSA-N 449.591 7.029 30 10 IKEE Cc1cc(OC(=O)c2ccccc2)cc2c1C(=O)C(=Cc1cc(Cl)cc3c1OCOC3)O2 2322659979 OMOBDWAAXVJKPC-UHFFFAOYSA-N 448.858 5.350 30 10 IKEE Cc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(Br)cc2)C3=O)cc1 2322671334 NWMXWLWWLMGCPI-UHFFFAOYSA-N 449.300 5.901 30 10 IKEE Cc1ccc(C)c(COc2ccccc2C=CC(=O)c2ccc(Oc3ccccc3)cc2)c1 2322806888 GPBGLKYUUQBXLS-UHFFFAOYSA-N 434.535 7.571 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)c1C 2322842576 AHRWHKMRRKHRLD-UHFFFAOYSA-N 438.542 7.688 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O 2323169201 MVYLZUFHGOZACR-UHFFFAOYSA-N 448.902 6.029 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(F)c2)C3=O)cc1[N+](=O)[O-] 2323332126 XGYGSFNWMQRHND-UHFFFAOYSA-N 433.391 5.186 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)C=Cc3ccc([N+](=O)[O-])cc3)ccc2C1=O 2323594918 UDODDMBUALNGTJ-UHFFFAOYSA-N 427.412 5.138 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1 2323627132 LKRQHEPWUVCHOF-UHFFFAOYSA-N 434.831 5.101 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)CC1 2323652528 XAXXFMDRNVAPJB-UHFFFAOYSA-N 436.523 6.652 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(CC)cc2)C3=O)cc1 2323791843 ROAZBNGOOZBAQL-UHFFFAOYSA-N 428.484 5.792 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(OC)c1OCc1ccccc1 2324097950 ZXLBLFUMFVUQFU-UHFFFAOYSA-N 428.484 5.628 30 10 IKEE COc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1OC 2324356638 DZCTZIJNHGQMKB-NRFANRHFSA-N 444.556 5.596 30 10 IKEE N#C[C@@H](C(=O)C=Cc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2324395047 QBNCUBFIBYVXQZ-INIZCTEOSA-N 433.747 6.660 30 10 IKEE C=C(C)COc1c(Br)cc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OCC 2324563808 RNLKAINHJQLOLV-UHFFFAOYSA-N 443.381 6.624 30 10 IKEE CCN(CC)C(=O)COc1ccc(C=CC(=O)c2ccc(OC)c(Cl)c2)cc1Cl 2324609988 QYHGVBFUGQHONJ-UHFFFAOYSA-N 436.335 5.145 30 10 IKEE CCCC[C@H](Oc1ccc2c(c1C)OC(=Cc1cccc(Br)c1)C2=O)C(=O)O 2324784530 LIWLTRRQYCXALJ-SFHVURJKSA-N 445.309 5.396 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4c(Cl)cccc4Cl)ccc3C2=O)o1 2325129620 RPBDBNCAPMSYRD-UHFFFAOYSA-N 444.270 5.529 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccccc1F)C2=O 2325141993 MJJZZIYKJGQBHC-SFHVURJKSA-N 445.490 5.773 30 10 IKEE Cc1ccc(NC(=O)CCOc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1 2325224617 UVHWFLSDDYHNCP-UHFFFAOYSA-N 433.891 5.672 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2)C3=O)cc1 2325621742 HDRIYEWZROJRJW-GOSISDBHSA-N 441.527 6.142 30 10 IKEE Cc1c(OCCN2CCCCC2)ccc2c1OC(=Cc1ccc(Br)cc1)C2=O 2325701663 KYXAQPMLDBTHHX-UHFFFAOYSA-N 442.353 5.238 30 10 IKEE O=C(CCc1ccccc1)Oc1cccc(C=CC(=O)c2ccc(Cl)cc2Cl)c1 2325709550 BELSAJNMRAPZSJ-UHFFFAOYSA-N 425.311 6.428 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2OC)cc1OC(=O)COc1ccc(C)cc1C 2325722879 WHBDXKGQEUYPEU-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cccc(OC(=O)COc3cc(C)c(Cl)c(C)c3)c2)c1 2325740431 FXQGAONLXVMNJQ-UHFFFAOYSA-N 448.946 6.454 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccccc3F)c2)c(OCC)c1 2325762662 RWHSLUHGAZZWHU-UHFFFAOYSA-N 448.490 5.667 30 10 IKEE CCSc1nnc(Cc2ccc(OC)c(OC)c2)n1N=Cc1ccc(C(C)(C)C)cc1 2326740187 GURIWCBUIKTCRV-UHFFFAOYSA-N 438.597 5.178 30 10 IKEE CCCSc1nnc(COc2ccccc2OCC)n1N=Cc1cccc(Cl)c1 2326849022 WXTGBAULNYAQIP-UHFFFAOYSA-N 430.961 5.294 30 10 IKEE Cc1ccc(OCCCc2nnc(SCc3cccc(F)c3)n2N=Cc2ccc[nH]2)cc1 2327169492 CPCYONSODNDOKV-UHFFFAOYSA-N 449.555 5.240 30 10 IKEE C=CCSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1ccc(N(C)C)cc1 2327383601 RQWFHDIHPHJSCC-UHFFFAOYSA-N 435.597 5.036 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccc(C(C)C)cc1 2327571089 FWUGEWXDPBFVDH-UHFFFAOYSA-N 428.989 6.018 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2cccs2)n1N=Cc1ccccc1F 2329636170 MPOGMEPHEHNHKH-UHFFFAOYSA-N 436.581 5.747 30 10 IKEE COc1ccccc1C=Nn1c(Cc2ccc(F)cc2)nnc1SCc1cccc(C)c1 2329816364 IKILSYBTTIMUQN-UHFFFAOYSA-N 446.551 5.500 30 10 IKEE CCCCOc1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCC)cc1OC 2329827221 ABUPSDPVHXUVCD-UHFFFAOYSA-N 442.560 5.190 30 10 IKEE COc1ccccc1C=Nn1c(Cc2ccc(C)cc2)nnc1SCc1ccccc1F 2329995117 QXCFAOUOEAPHJZ-UHFFFAOYSA-N 446.551 5.500 30 10 IKEE C=CCSc1nnc(-c2cccs2)n1N=Cc1ccc(OCCC)c(OCC)c1 2330590687 RWGPONCZQPSQLE-UHFFFAOYSA-N 428.583 5.354 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)C=Cc1ccccc1[N+](=O)[O-] 2330653976 PYOYQRZWRPZBSM-XMMPIXPASA-N 431.577 5.150 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1[N+](=O)[O-] 2330665063 HYOHACRYLRZVPU-UHFFFAOYSA-N 437.451 6.172 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc3ccccc3c2)cc1OCC 2330668085 XSPXZLIDNIIFER-UHFFFAOYSA-N 436.935 6.884 30 10 IKEE O=C(O)c1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2-c2ccccc2)cc1 2330674927 LXARZXMMVCPCAG-UHFFFAOYSA-N 448.935 5.471 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(CC(C)(C)C)n1N=Cc1cccs1 2330810486 DXMDVXKPCLNMID-UHFFFAOYSA-N 441.626 5.104 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(F)cc1 2330862835 SRYFKDQWXMDWLC-UHFFFAOYSA-N 432.568 6.334 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(Cl)cc1 2330867238 BRDLEZMZORFGKD-UHFFFAOYSA-N 433.408 6.348 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)ccc1OC(=O)c1cccc(Cl)c1 2330944091 IJWAYFGKCQOVHX-UHFFFAOYSA-N 441.310 6.507 30 10 IKEE C=C(C)CSc1nnc(C2CCCC2)n1N=Cc1ccc(OCCCCC)c(OC)c1 2331069590 VTTXDDIWYJLKSZ-UHFFFAOYSA-N 442.629 6.064 30 10 IKEE CCCOC(=O)CSc1nnc(C2CCCC2)n1N=Cc1ccc(C(C)(C)C)cc1 2331101336 VWJCKKFQKWGFNF-UHFFFAOYSA-N 428.602 5.161 30 10 IKEE Cc1cc(CC(=O)Oc2ccc(C=CC(=O)c3cccc(Cl)c3)cc2Cl)ccc1F 2331122870 WVNWFSUZIVWUQC-UHFFFAOYSA-N 443.301 6.485 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)cc([N+](=O)[O-])c1OC(=O)C1CCC1 2331129655 BIBKQAWNVPQAJC-UHFFFAOYSA-N 429.856 5.249 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)c1ccccn1 2331150043 ZYOUUFOXWJOJKT-UHFFFAOYSA-N 442.298 5.902 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2ccccc2)cc1Br 2331168091 ZMGBJHCFRXVJEI-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE Oc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2-c2ccco2)cc1 2331219036 DFYJIXWCASWWGT-UHFFFAOYSA-N 426.501 5.571 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)c(C)c3)c(OC)c2)cc1 2331311950 ORESYSJFQRIYTF-UHFFFAOYSA-N 444.527 6.216 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2c(Cl)cccc2Cl)nnc1C(C)(C)C 2331400739 PHMLVKNRQDLMKT-UHFFFAOYSA-N 433.408 6.365 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCO4)cc2Cl)cc1C 2331438048 UXGGJMIQLPBMOI-UHFFFAOYSA-N 434.875 5.801 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)CCOc1ccccc1 2331510089 WSKFKYLOPFNLBV-UHFFFAOYSA-N 444.527 6.089 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)c3cccc(C)c3)cc2)c1 2331673908 CWJMNUNSGSBEHQ-UHFFFAOYSA-N 430.500 5.908 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)COc1cccc(C)c1C 2331715182 OCAWULUEVQIOID-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2C2CC2)cc1 2331731157 DTGAMBYCURPHJT-UHFFFAOYSA-N 434.609 6.207 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(C3CC3)n2N=Cc2ccc(Cl)cc2)c1 2331731173 IHEWFFGCETXNSP-UHFFFAOYSA-N 439.972 5.039 30 10 IKEE CC#CCN(C[C@@H](NCCC)c1sc(Br)c(C)c1C)C(=O)OC(C)(C)C 2337914304 YWPHJUXWPJUUNQ-MRXNPFEDSA-N 443.451 5.429 30 10 IKEE CC1(C)OB(CCCOc2cc(Br)c(F)cc2C(F)(F)F)OC1(C)C 2339301048 BZWZPQIXPHMABY-UHFFFAOYSA-N 427.041 5.468 30 10 IKEE CC(C)(C)OC(=O)N1[C@@H](CNc2cccc(Br)c2C#N)C[C@H]2CCCC[C@H]21 2358976948 GGPOQQTXFZSJJL-SPYBWZPUSA-N 434.378 5.301 30 10 IKEE CC1(C)CC(=O)C2=C(C1)c1ccc3ccccc3c1N[C@@H]2c1ccc(Br)cc1 3084295 IUXBEHKJJCLTEE-HSZRJFAPSA-N 432.361 6.912 30 10 IKEE NC(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)=N/OC(=O)/C=C\c1ccccc1 12339837 GIGPKEDHIRTCTB-FFELTBSMSA-N 428.332 5.266 30 10 IKEE C=CCSC1=N/C(=C/c2ccc(C(F)(F)F)cc2)C(=O)N1c1ccc(OCC)cc1 20152066 XLCMABIRQLBQIG-XMHGGMMESA-N 432.467 5.767 30 10 IKEE O=C(/C(=N/Nc1cc(C(F)(F)F)ccc1Cl)C(=O)C(F)(F)F)c1cccs1 20458554 XSUJFRWVKHYNQP-MYKKPKGFSA-N 428.741 5.203 30 10 IKEE CC(C)Oc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2OC(C)C)cc1 21236989 URZZHBNWJXOKMI-KNQAVFIVSA-N 433.548 5.265 30 10 IKEE COc1cc(/C=C2/CC/C(=C/c3cc(Cl)c(OC)c(OC)c3)C2=O)cc(Cl)c1OC 33437939 SIGQVFHJILUFKR-DUGOVBPYSA-N 449.330 5.858 30 10 IKEE CCCC[C@H]1S/C(=N/N=C/c2cccc3ccccc23)N(Cc2ccccc2C)C1=O 33882041 QPSMUHWMGMTHMJ-BRMRTEOQSA-N 429.589 6.173 30 10 IKEE CCN1C/C(=C\c2cccc(Cl)c2Cl)C(=O)/C(=C/c2cccc(Cl)c2Cl)C1 34869214 WCOCFSZLWNCZDP-KAVGSWPWSA-N 441.185 6.672 30 10 IKEE C=C(C)COc1ccccc1NC(=O)CNc1ccccc1OCCOc1ccccc1 66063932 NYMWQXRVJCOGHB-UHFFFAOYSA-N 432.520 5.150 30 10 IKEE CCCCCCCCCCCCCCCCNC(=S)NC(=O)CCC(=O)OCC 100071840 KBPSLPSWWVDDMN-UHFFFAOYSA-N 428.683 5.802 30 10 IKEE CCCCCCCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1 100140164 YYFKOQQBSGEYSF-HHHXNRCGSA-N 428.576 6.803 30 10 IKEE CC1(C)[C@H]2CC[C@@]1(C(=O)Oc1ccc(-c3ccc(C#N)cc3)cc1)c1nc3ccccc3nc12 101105386 XVPNVJSPXKRGSP-ZTOMLWHTSA-N 445.522 5.929 30 10 IKEE O=C1CCCC2=C1[C@@H](c1cccc(Cl)c1Cl)c1c(nn(-c3ccccc3)c1O)N2 101269220 JKWCLNJHMBMWQA-QGZVFWFLSA-N 426.303 5.449 30 10 IKEE CCCCCCCCCn1c(CCNC(=O)c2cccc(Cl)c2)nc2ccccc21 102141218 YKIDBIQVCDFFNJ-UHFFFAOYSA-N 426.004 6.413 30 10 IKEE CCCCCCCCn1c(CCCNC(=O)Cc2ccccc2Cl)nc2ccccc21 102156517 LKZANHBAEBVRIG-UHFFFAOYSA-N 440.031 6.342 30 10 IKEE CCCCCCCCCCCCCCCCCCNC(=O)c1coc([C@H](N)CCCC)n1 102458085 PIFOAYAODOGDLG-XMMPIXPASA-N 449.724 7.856 30 10 IKEE CCOc1ccc([C@H]2/C(=C(/O)c3ccc(C)cc3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc1 102486489 UJMDAPKVKFTMSA-AGGMBTAESA-N 448.544 5.093 30 10 IKEE Cc1nc(CSc2ccccc2C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)no1 105632397 GBMKDOGDTAOFJP-UHFFFAOYSA-N 427.485 5.428 30 10 IKEE C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C/c1cccc(Cl)c1Cl)C2=O 118919576 ANTLLZHQDMIOLB-ZNRHOSPSSA-N 447.446 6.959 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2cc(C)cc(C)c2)c1 169930022 OYRXOZBBUGLJGC-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccc(N(C)C)cc2)c1 169966808 SPIDLXJUQBQPSP-VWLOTQADSA-N 440.543 5.461 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2cccs2)ccc1F 169985431 CNAGBCLLGIHTDM-IBGZPJMESA-N 427.884 5.632 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)C)cc2)[C@H]1c1ccccn1 169991909 NCNINOBYLQBOBU-DEOSSOPVSA-N 442.515 5.305 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccccn1 169993983 YYVLTQMVCNREAM-JOCHJYFZSA-N 444.874 5.573 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@@H]1c1cccnc1 170005778 AKHIJGBPTQIOGL-QHCPKHFHSA-N 432.907 5.145 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccc(F)cc2)cc1 170063274 ZWZILOQNBCBOHW-NRFANRHFSA-N 437.854 5.271 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 170068126 OTAWHXKIXZARBR-XMMPIXPASA-N 426.516 5.292 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccco2)cc1 170090756 AVRXKMFGFYFUME-QHCPKHFHSA-N 441.483 6.106 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc(OCC(C)C)c3)=C(O)C(=O)N2C2CCCC2)c1 170148461 CDUAUZMTWCFJCH-DEOSSOPVSA-N 433.548 5.551 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cccs1 170159944 RKGFPFSPVQHMRZ-HSZRJFAPSA-N 445.540 5.418 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccs2)ccc1OC(C)C 170163283 QWHVRZPWHRZTNZ-QFIPXVFZSA-N 448.544 5.017 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccs1 170166343 FTPHBPXDKMXMOI-JOCHJYFZSA-N 435.545 5.295 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccn1)c1cc2cc(Cl)ccc2o1 170169975 KDGWFEBHFHZOQI-OAQYLSRUSA-N 448.837 5.403 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccnc2)cc1C 170191274 SSEQOWUJKQFBLU-DEOSSOPVSA-N 442.515 5.270 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3cccc(OCCC)c3)=C(O)C(=O)N2CCC)cc1 170215575 GWRKVFCBGGYQJG-HSZRJFAPSA-N 437.536 5.253 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccccc2)c1 170229407 FLXNPKBFCYRBSI-QFIPXVFZSA-N 435.426 5.146 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1ccccc1 170229573 FSTISYNEGJBJJH-JOCHJYFZSA-N 435.426 5.065 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccccc1 170231524 PMTGVFJNQPQXPF-DEOSSOPVSA-N 431.576 6.204 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@H]1c1c[nH]c2ccccc12 170255271 JEMUXENLJLQMBK-OAQYLSRUSA-N 438.911 5.208 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2c(OC)cccc2OC)[C@@H]1c1ccc(CC)cc1 170268354 ZHEDBXIKURPMCE-QHCPKHFHSA-N 437.536 5.035 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccc2C)c1 170270742 PQARIBWSUXEGLF-XMMPIXPASA-N 445.490 5.706 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccccc2C)cc1Cl 170271788 MKABNXOJKQGTMH-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@H]1c1ccccc1C 170276614 WFVGVIZDYVQLIL-HSZRJFAPSA-N 435.564 5.680 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2Cc2cccs2)o1 170297976 YYUQWGXXFMSGRQ-NRFANRHFSA-N 437.517 5.215 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4)[C@@H]3c3ccc(C)o3)oc12 170302946 SKZIIYNEJQMPBF-OAQYLSRUSA-N 429.428 5.126 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2sccc2C)cc1 170312622 YIEIMUUESQUCLU-IBGZPJMESA-N 439.558 5.295 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1ccc(C(C)(C)C)cc1 170333213 AISJWZIITCUDOT-XMMPIXPASA-N 441.527 5.776 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 170342293 ZCMMTVMRZPRVKD-DEOSSOPVSA-N 441.531 5.019 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(OC)cc2)cc1 170362354 PCDQEOWTQBDJMZ-XMMPIXPASA-N 443.499 5.267 30 10 IKEE Cn1cc(CCN2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccs2)c2ccccc21 170415435 IGTAQLOHASAOTQ-HSZRJFAPSA-N 442.540 5.061 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 170456513 PGMVUNLOCYZCGQ-AREMUKBSSA-N 441.527 6.303 30 10 IKEE C=CCn1c(C(=O)Nc2ccnn2[C@H](C)c2ccccc2)cc2oc(Br)cc21 223720922 NZXQAAUNPMDHFO-CQSZACIVSA-N 439.313 5.241 30 10 IKEE COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)/C(=C/c3ccc(OC(F)F)cc3)C[C@H]12 240067929 SDYMIDMUFXWPCF-UDFVPUEDSA-N 438.514 6.415 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3Cl)[C@H]2c2cccc(F)c2)c1 526519579 BUVTUUBTEAGUDZ-OAQYLSRUSA-N 439.273 6.061 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(F)cc2)cc1Cl 526520510 GVSVIYWXHSSARH-HSZRJFAPSA-N 448.881 5.807 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1ccc(O)c(Cl)c1 526808988 FFOWUYVMJIZVAT-CFRMEGHHSA-N 428.989 5.771 30 10 IKEE CCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1c(C)n(CC)c2ccccc12 526809963 RVNULBJLVHTVNO-YSMPRRRNSA-N 431.609 5.915 30 10 IKEE COc1ccccc1/C=N\n1c(Cc2ccccc2)nnc1SCc1ccc(C)cc1C 526812233 KHJXHGMUYUOMEO-PKAZHMFMSA-N 442.588 5.669 30 10 IKEE CCCOc1c(/C=N\n2c(C)nnc2SCc2cccc3ccccc23)cccc1OC 526821149 DMRCTAXUIBVSQU-QQXSKIMKSA-N 446.576 5.712 30 10 IKEE CCN(CC)c1ccc(/C=N\n2c(C)nnc2SCc2ccc(Cl)cc2Cl)cc1 526823870 YGQVRAWCGINAPJ-CFRMEGHHSA-N 448.423 5.914 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@]1(C#N)CCc2cc(Br)ccc21 698829153 DQDMZRPEKUGJNG-NRFANRHFSA-N 447.760 6.209 30 10 IKEE C[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 698899431 JVLMNFVEGPCKJA-AOMKIAJQSA-N 435.590 5.167 30 10 IKEE CCCCCCCC[C@H](O)c1ccc(I)c(Br)c1 721579539 XKIXWAHHSYYZIF-HNNXBMFYSA-N 425.148 5.838 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 724019511 JPZIKGAWCZXVJM-YADARESESA-N 429.561 5.153 30 10 IKEE CC(/C=N/N=C1/S/C(=C/c2ccccc2O)C(=O)N1Cc1ccco1)=C\c1ccccc1 1615304731 FUFQHHQTFBJBSE-LOZFHOQXSA-N 443.528 5.547 30 10 IKEE Cc1ccccc1C[C@H]1SC(=NN=Cc2c(-c3ccccc3)[nH]c3ccccc23)NC1=O 1772741906 LEGYTUHMAKZFCJ-HSZRJFAPSA-N 438.556 5.308 30 10 IKEE Cc1ccccc1/C=C1/SC(=NN=Cc2ccc(N(C)C)cc2)N(Cc2ccco2)C1=O 1772759149 MJHMVHFIVFHDLO-ZVOXDSDJSA-N 444.560 5.161 30 10 IKEE O=Cc1cc(-c2c(F)c(F)c(F)c(F)c2F)ncc1-c1c(F)c(F)c(F)c(F)c1F 1848358710 WUISLSLOVCHDSC-UHFFFAOYSA-N 439.208 5.619 30 10 IKEE Cc1ccc(OCC(=O)Oc2cccc3c(NC(=O)c4cccc(C#N)c4)cccc23)cc1 1858929934 JTKMQSMKGCTDEF-UHFFFAOYSA-N 436.467 5.257 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)C(c1ccccc1)c1ccccc1 1861477810 XTUGFLBTAIKCAF-VWLOTQADSA-N 436.640 5.970 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)COc1ccc(Cl)cc1Cl 1861682137 ZOQDBHWGRSVSCJ-IBGZPJMESA-N 445.431 5.524 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(CCCC)cc2)n(Cc2cccc(Cl)c2)n1 1862335312 WRKKQDZCCJXJIB-UHFFFAOYSA-N 448.010 6.409 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccccc1 1862412648 JSQGHHLQWFHIIN-JOCHJYFZSA-N 427.491 5.904 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(Cl)cc1)c1ccccc1Cl 1862431684 MIASCAJDCIKQTJ-IBGZPJMESA-N 444.339 5.833 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccc2cc[nH]c2c1)c1ccccc1Cl 1862432933 QGKBOAXMTAEPHV-QHCPKHFHSA-N 448.950 6.122 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2ccccc2C)cc1 1862475971 YLNYODZCABMLBL-VWLOTQADSA-N 425.528 5.515 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCCCCC2)c1 1862479049 XNZIRDSIWBIYCM-VWLOTQADSA-N 447.575 6.085 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(Br)cc1 1862487731 IBFIAKBRVVQUPP-IFXJQAMLSA-N 428.326 5.134 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1[C@@H]1CCCC[C@H]1C 1862544496 FKCFOOSGZLLBRI-GJQIQAERSA-N 443.587 6.031 30 10 IKEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(C)cc1 1862648537 DOIZAUXGVMMGME-VWLOTQADSA-N 442.559 5.068 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccc(O)c1 1862663123 PPKFGLQCCNHWPL-VWLOTQADSA-N 449.591 6.454 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C2CC2)cc1 1862721777 RRNBVKCZPKNUJV-VWLOTQADSA-N 441.527 5.759 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1 1863026749 CWYURRFDBCTYBT-UHFFFAOYSA-N 441.918 5.534 30 10 IKEE N#Cc1cccc(N2C(=O)C(Nc3ccccc3C(F)(F)F)=C(c3cccs3)C2=O)c1 1863112416 CFNAAJIWGJVREB-UHFFFAOYSA-N 439.418 5.035 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(CCCCc3ccccc3)C2=O)cc1 1863269723 QEPNEILRUGUPSU-UHFFFAOYSA-N 435.527 5.082 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc3c[nH]nc3c2)=C(c2ccccc2F)C1=O 1863292614 YHIBDRUJYSRJIG-UHFFFAOYSA-N 434.515 5.255 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(F)c2)=C(c2c[nH]c3ccccc23)C1=O 1863485509 BJMFZBDYCZBEFO-UHFFFAOYSA-N 433.527 5.860 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccco2)=C(c2c[nH]c3ccccc23)C1=O 1863817242 UQYFJEZAKDNMMO-UHFFFAOYSA-N 447.579 5.771 30 10 IKEE COc1ccc(C#N)c(NC(=O)c2ccc(N3COc4ccc5ccccc5c4C3)cc2)c1 1865889646 SFRKBTLLKOLKOL-UHFFFAOYSA-N 435.483 5.329 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)c2cc(C(C)C)nc3ccc(C)cc23)c1 1866273125 XUNLQMVYXOMLPN-UHFFFAOYSA-N 447.538 6.330 30 10 IKEE N#Cc1nnn(Cc2c(Cl)ccc(Cl)c2Cl)c1NC(=O)c1ccc(Cl)cc1 1870105341 NMVWMEJXXDRKAO-UHFFFAOYSA-N 441.105 5.064 30 10 IKEE CCCCCCCOc1cn(CCCOC(C)C)c(CN2C[C@@H](C)C[C@@H](C)C2)cc1=O 1870411657 IWZHBGNBASBCEC-ZRZAMGCNSA-N 434.665 5.491 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCCCCCC)c(=O)cc1CN1CCCC1 1870419682 MUKUAFGYXQGVLL-UHFFFAOYSA-N 448.648 5.307 30 10 IKEE CCCCCCCOc1cn(CCC(C)C)c(CNc2ccc(N(C)C)cc2)cc1=O 1870833831 VTEDPFCMNSFZNQ-UHFFFAOYSA-N 427.633 5.922 30 10 IKEE C#CCOc1cn(CCc2ccc(C)cc2)c(CNc2ccc(C(C)(C)C)cc2)cc1=O 1871004563 LTADATPUCVTRLO-UHFFFAOYSA-N 428.576 5.321 30 10 IKEE C#CCOc1cn(CCCCCCCCCC)c(CNc2ccc3c[nH]nc3c2)cc1=O 1871006220 VLLMDHLXKMJGLM-UHFFFAOYSA-N 434.584 5.489 30 10 IKEE C=CCn1cc(OCCOc2ccccc2)c(=O)cc1CNc1ccc(OCCCC)cc1 1871046197 UCSGJLANJPOKTF-UHFFFAOYSA-N 448.563 5.283 30 10 IKEE CCCCCCCCn1cc(OCCCCC)c(=O)cc1CNc1cccc(C)c1C 1871130031 DRJZQDXIOIJQAN-UHFFFAOYSA-N 426.645 7.007 30 10 IKEE Cc1ccc(OC(F)F)cc1S(=O)(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1871280949 AANDXWYQDJCTJX-UHFFFAOYSA-N 449.319 5.435 30 10 IKEE CCCCC[C@@H](CC)N1COc2c(cc3c(c2C)O/C(=C\c2ccc(C(C)C)cc2)C3=O)C1 1871353562 SRYKFCWSVMKXQU-IAGVPYNFSA-N 447.619 7.245 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)CCc4ccc(Cl)cc4)ccc3C2=O)cc1 1871369035 WFSRQIUFUAVPFM-IWIPYMOSSA-N 448.902 5.893 30 10 IKEE Cc1c(OC(=O)c2ccc(Cl)c(Cl)c2)ccc2c1O/C(=C\c1cccnc1)C2=O 1871372327 KSVYGYYALUTUGY-OCKHKDLRSA-N 426.255 5.532 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OC(=O)CCc4ccccc4)c3C)C2=O)c1OC 1871385981 XBJCXSGEVBYMHF-KQWNVCNZSA-N 444.483 5.167 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1 1871410785 CANSCQBLNZKAFC-SMNNTEATSA-N 443.499 5.334 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4cccc(C)c4C)cc(C)c3C2=O)cc1 1871414937 YDRHVPZQOMUSFW-FQOPDIHJSA-N 441.527 5.942 30 10 IKEE CCCCCCCCCOc1ccc2c(c1C)O/C(=C\c1cn(CC)c3ccccc13)C2=O 1871429474 IUVKUIYVTCCTNJ-DIBXZPPDSA-N 445.603 7.715 30 10 IKEE C[C@H](Oc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O)C(=O)Nc1ccc(C#N)cc1 1871435967 IDKKLDDKDDFHLC-WQKDKYNYSA-N 444.874 5.234 30 10 IKEE COc1ccc(C)cc1NC(=O)CCOc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O 1871445978 ATQTUSQVDOTXQQ-OYKKKHCWSA-N 447.462 5.167 30 10 IKEE CCOc1ccc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc1OC 1872775821 BGKRJTYFPGMEDM-NRFANRHFSA-N 448.588 6.150 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@H](C#N)C(=O)c3cc4ccccc4oc3=O)n2)c1C 1872781199 QHPZPMLEGPIBEB-LJQANCHMSA-N 428.513 5.640 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)c3ccc(-c4ccccc4)cc3)n2)cc1C 1872787716 PYRZIVLEVUVVNY-HSZRJFAPSA-N 438.552 6.593 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccc(OCC)cc1 1874230852 GCHWTGRWYNGQIA-ZVHZXABRSA-N 444.988 5.602 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccccn1 1874378332 FOGPYFLQBIDYPW-VULFUBBASA-N 437.931 5.231 30 10 IKEE Cc1ccc(CSc2nnc([C@@H](C)c3ccccc3)n2/N=C/c2sccc2C)cc1 1874392711 SAXACJHHDAHSFA-QVWJKXSPSA-N 432.618 6.283 30 10 IKEE CCOc1cccc(/C=N/n2c(Cc3cccs3)nnc2SCCc2ccccc2)c1 1874413166 GBTGHCGNAQAKOS-XIEYBQDHSA-N 448.617 5.546 30 10 IKEE COc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCCc2ccccc2)cc1 1874418174 CBWCIXGYQKYAAY-LGUFXXKBSA-N 428.561 5.095 30 10 IKEE C=CCSc1nnc(Cc2ccccc2)n1/N=C/c1ccc(OCCCC)c(OC)c1 1874418191 DHUNVTMGWJJNBL-XIEYBQDHSA-N 436.581 5.217 30 10 IKEE CCCOc1ccccc1/C=N/n1c(CC(C)(C)C)nnc1SCc1ccccc1F 1874438310 AEXAHIICCAELFO-WGOQTCKBSA-N 440.588 5.969 30 10 IKEE CCCCc1nnc(SCc2ccc(C(=O)OC)o2)n1/N=C/c1ccc(C(C)C)cc1 1874477874 MZHUXRZBFYPDQM-ZVHZXABRSA-N 440.569 5.298 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccccc1[N+](=O)[O-] 1874485400 SGLRAENEDBXVSQ-MFKUBSTISA-N 445.548 5.812 30 10 IKEE Clc1cccc(CSc2nnc(C3CCC3)n2/N=C/c2cccc3ccccc23)c1 1874497270 CNRUQWSLGPHUNM-CVKSISIWSA-N 432.980 6.527 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccc(CC)cc1 1874508617 MXGFHGSFYILFIA-ZMOGYAJESA-N 433.408 6.274 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2cccc3ccccc23)nnc1C(C)C 1874514871 KWQGLSHPVPBIRA-WPWMEQJKSA-N 442.588 6.294 30 10 IKEE CCc1nnc(SCc2ccccc2Cl)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874526146 HLGJUMXLSRALPG-LSHDLFTRSA-N 437.352 5.036 30 10 IKEE Sc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc(Cl)c(Cl)c1 1874567522 BOTAQUMGWGWFLB-ZMOGYAJESA-N 427.360 5.694 30 10 IKEE O=C(COc1ccccc1/C=C/C(=O)c1ccc(-c2ccccc2)cc1)NC1CCCCC1 1874571078 VNZPRLOJHVIJTJ-FMQUCBEESA-N 439.555 6.077 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1OC 1874573057 SZORKINEJDJCMR-BJMVGYQFSA-N 443.326 6.486 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccccc2Cl)c1OCc1nc(O)c2ccccc2n1 1874574800 GZZJGUXLMHGTNJ-BUHFOSPRSA-N 446.890 5.473 30 10 IKEE CCc1ccccc1NC(=O)COc1ccccc1/C=C/C(=O)c1ccc(OC)cc1OC 1874588264 YGBBTOPBMQOTPS-DTQAZKPQSA-N 445.515 5.180 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cc(Cl)ccc1OCc1cccc(C)c1 1874588716 AHVYGBNMWCPUMS-VQHVLOKHSA-N 441.354 7.094 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OCC(=O)Nc1cccc(C)c1C 1874595307 DSYGOGLEISOTCU-ZRDIBKRKSA-N 449.934 5.879 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OCC(=O)Nc1ccc(C)cc1 1874596184 IVONIHCKTIJOAK-MDWZMJQESA-N 429.516 5.534 30 10 IKEE CCCOc1c(OC)ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c1Br 1874596861 GZKBXTBHRRZRNN-UKTHLTGXSA-N 431.370 6.440 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(OC)c2)cc1 1874604858 IVWICJIXXCCSQV-NTEUORMPSA-N 443.543 5.788 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(F)cc3F)cc2OC)o1 1874612756 KEYXSYDQALNNLA-RUDMXATFSA-N 442.414 5.218 30 10 IKEE CCc1ccccc1OCC(=O)Oc1cccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c1 1874693365 BFUBDYICSNQNCA-SAPNQHFASA-N 440.539 6.008 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cccc(OC(=O)CCCOc2ccc(C)cc2)c1 1874698753 MJWQZHJLKXTZQF-SAPNQHFASA-N 430.500 5.664 30 10 IKEE CCCCCCC(=O)Oc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)ccc1OC 1874718993 VCEGPTHHMDCUOV-DTQAZKPQSA-N 446.543 6.629 30 10 IKEE C[C@H](C(=O)Oc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1Cl)c1ccccc1 1875088042 NFDZACOUDLBWDO-TYZQSYOASA-N 435.863 5.853 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)ccc1OC(=O)CC(C)(C)C 1875099451 JJDQOWHRHVHKBB-DHZHZOJOSA-N 426.509 5.340 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc4ccccc34)c(Cl)c2)cc1 1875100305 YPLZNORUXWJBKH-FOWTUZBSSA-N 440.926 7.171 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(CC)cc3)cc2OC)cc1 1875101382 MZBJBLCEVCLJRF-LZYBPNLTSA-N 430.500 5.772 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)c1ccc2c(c1)OCO2 1875133804 CTRKLRUCMYPDSK-WEVVVXLNSA-N 430.456 5.156 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1[N+](=O)[O-] 1875134649 DCSFHMLSRNHIEG-FMIVXFBMSA-N 431.444 5.336 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc2c(c1)OCO2 1875149831 JXIVLICKCZKRDU-YCRREMRBSA-N 441.266 5.837 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1)c1ccc(C(F)(F)F)cc1 1875154202 TWERBPIEFMYVIL-LICLKQGHSA-N 446.424 6.974 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)[C@H](C)c1ccccc1 1875157719 LQWOIEKCMGVFSU-RKCSUWQLSA-N 434.463 5.448 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1ccc(F)cc1F 1875163928 KQDLPVHXGPYBAA-YCRREMRBSA-N 444.380 5.757 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)c(C)c1C 1875167973 QWCAOMCFIYQDRY-NTUHNPAUSA-N 445.471 5.644 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)[C@H](C)c1ccccc1 1875175979 QDVOOAJQQKEUQY-XSSIKURBSA-N 448.946 6.571 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)[C@H](C)c1ccccc1 1875176560 JYRJTORZVUUZQH-FFXXTYGZSA-N 428.528 6.307 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2ccc(OC(=O)c3cccs3)cc2)cc1Cl 1875185393 AXHVNTICMYLOGL-RMKNXTFCSA-N 433.312 6.179 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cc(Cl)c(OC(=O)CC(C)(C)C)c(OC)c2)cc1C 1875186713 JFDAJSOSTSZLKT-CMDGGOBGSA-N 444.955 6.212 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)c1ccncc1 1875190926 SQIXYNPQLGEPRC-XVNBXDOJSA-N 442.298 5.902 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@](O)(CC)c1cccc(Br)c1 1922112412 MOBCCYODRWELRT-GOTSBHOMSA-N 432.402 5.188 30 10 IKEE CN(CCN(Cc1ccccc1)c1ccc(C#N)cc1Br)Cc1ccccc1 1932083063 ZMXIUWGCLYMXJM-UHFFFAOYSA-N 434.381 5.459 30 10 IKEE CC(C)(C)OC(=O)N(CCCC(=O)Nc1ccc(C#N)cc1Cl)Cc1ccccc1 1985172511 IDBGVRJVPCZIFF-UHFFFAOYSA-N 427.932 5.368 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)C2(C#N)CCC(CNC(=O)OC(C)(C)C)CC2)cc1 2030040421 SNAONMFEYPCIFT-UHFFFAOYSA-N 443.588 5.714 30 10 IKEE CCCCCCCCCCCC[C@H](N)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2034430815 KIDRKNXLYOGFKY-LOSJGSFVSA-N 448.692 6.735 30 10 IKEE CCCN[C@@]1(C#N)CCC[C@H]1CCN(CCN(C)Cc1ccccc1)Cc1ccccc1 2034739404 LCOLPSDZWHSZCY-WUFINQPMSA-N 432.656 5.073 30 10 IKEE O=S(=O)(N=C(SCc1ccc(Cl)cc1)c1ccccc1)c1ccc(F)cc1F 2040465908 SXONEZBZDKXDQY-UHFFFAOYSA-N 437.920 5.687 30 10 IKEE CCCN(CCCB1OC(C)(C)C(C)(C)O1)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2044531598 QOIHOQKUKQCASS-YOFSQIOKSA-N 436.446 5.111 30 10 IKEE CC(C)Oc1ccc([C@@H](C(C)C)n2nc(C(C)(C)C)c(C=NO)c2Br)cc1 2080057554 KPORIKSKKCWQPN-GOSISDBHSA-N 436.394 5.784 30 10 IKEE CC(C)c1c(C(F)(F)F)nn2c(Cl)cc(-c3ccc(C(F)(F)F)c(F)c3)nc12 2081249496 YKFZSUCGLWCNAL-UHFFFAOYSA-N 425.735 6.350 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2c(Cl)cccc2Br)cc1 2094994974 OFXTYYOUTANMOU-KRWDZBQOSA-N 435.749 6.417 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(Cl)ccc(Br)c1F 2122139699 LFTJWRWHEDYLAZ-RHSMWYFYSA-N 447.776 5.199 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)C1CC2(C1)CC2(F)F 2130895064 GMGXXWMCWTWSRD-HBSPSFQMSA-N 427.289 5.518 30 10 IKEE C=CCC[C@H](C)[C@@H](NCCC)c1ccc(Br)cc1I 2142286697 GZZQKFYDDVHBQG-BLLLJJGKSA-N 436.175 5.697 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCCOC12CCCC2 2155126192 QCSXXEAKQTVOAC-FQEVSTJZSA-N 435.362 5.576 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](CNc2ccc(C#N)c(Br)c2F)CC1(C)C 2172461450 YAYLXNVCLOSCBJ-ZDUSSCGKSA-N 440.357 5.297 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H](CNc2cc(Br)cc(F)c2C#N)CC12CCC2 2173320520 QDKUVRDHDBDTBX-CYBMUJFWSA-N 438.341 5.051 30 10 IKEE C[C@H]1CCCN(c2ccc(Br)cc2C#N)[C@@H]1CCCNC(=O)OC(C)(C)C 2174807606 DOQNXFMBYGYMJE-MAUKXSAKSA-N 436.394 5.231 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)NC1(C#N)CCCCCC1 2181044775 CVYOKAUKDFTHFW-UHFFFAOYSA-N 436.350 5.142 30 10 IKEE CCCN[C@@](C#N)(CN(Cc1ccccc1)CC1CCCCC1)C1(Br)CC1 2206639795 NJFIJXPWOGOSAW-QHCPKHFHSA-N 432.450 5.258 30 10 IKEE CCCN[C@H](C#Cc1ccc(CCC)cc1)CN(Cc1ccccc1)C(=O)OC(C)(C)C 2223369753 REORCVCJIUTXLJ-AREMUKBSSA-N 434.624 5.796 30 10 IKEE C=C(F)C[C@H](NCCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229129327 WIHFLKWEUCJNDB-ZWKOTPCHSA-N 429.374 5.126 30 10 IKEE CC1(C)OB(c2cccnc2Nc2ccc(Br)c(Cl)c2Cl)OC1(C)C 2232269711 AGRRRAZZELSJJX-UHFFFAOYSA-N 443.965 5.194 30 10 IKEE C=CCC1([C@H](NCC)c2c(F)cc(F)cc2Br)CN(C(=O)OC(C)(C)C)C1 2233950317 UPDKDUWAOCOXQE-QGZVFWFLSA-N 445.348 5.191 30 10 IKEE CC#CCCCC[C@H](NC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237405663 UNGAMZUBDOTFRC-PMACEKPBSA-N 437.422 5.057 30 10 IKEE CC[C@@H]1CC=C(C(=O)[C@H](Cc2cccc(Br)c2)NC(=O)OC(C)(C)C)CC1 2237408648 IXYLOVVHIJAXBG-BEFAXECRSA-N 436.390 5.591 30 10 IKEE C=CC[C@@]1(COc2ccc(Br)c(C)n2)CCCN(C(=O)OC(C)(C)C)C1 2272230224 TVLDFXYWKGMEIS-HXUWFJFHSA-N 425.367 5.125 30 10 IKEE C=CCCC1([C@H](NC)c2c(F)cc(F)cc2Br)CN(C(=O)OC(C)(C)C)C1 2281057210 ZCXWDVSLSIDMEF-QGZVFWFLSA-N 445.348 5.191 30 10 IKEE C=CC[C@]1(COc2cc(C)c(N)cc2Br)CCCCN1C(=O)OC(C)(C)C 2287705683 IHHXFWDUTWGYIB-OAQYLSRUSA-N 439.394 5.454 30 10 IKEE COc1cc(C=C2SC(=Nc3ccc(C)cc3)N(CCc3ccccc3)C2=O)ccc1C 2293128259 PQVSWPBQFGSBKC-UHFFFAOYSA-N 442.584 6.159 30 10 IKEE Cc1cc(C=C2SC(=Nc3ccc(F)cc3)NC2=O)c(C)n1-c1ccc(F)c(Cl)c1 2294009793 AJVBCOIYFUEUHF-UHFFFAOYSA-N 443.906 5.917 30 10 IKEE CCCCCCCCOc1ccc(C=C2SC(=S)N([C@H](CC)C(=O)O)C2=O)cc1 2296018010 UJTFFZSBTHJEGC-GOSISDBHSA-N 435.611 5.490 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H](CCC(C)C)NC(=O)OC(C)(C)C 2296219216 LZNHGCBFRAGYPJ-WOJBJXKFSA-N 437.422 5.108 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1CCC(=O)C#Cc1cccc(Br)c1 2296223724 CMGPKQNVKSUQBK-XLIONFOSSA-N 434.374 5.233 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H](NC(=O)OC(C)(C)C)c1cccs1 2296294147 QOLGBRZTBRRZSO-IEBWSBKVSA-N 449.414 5.106 30 10 IKEE O=C1C(=CNCc2ccc(Cl)cc2Cl)Nc2ccc(Br)c(Cl)c21 2297316007 KZROVECMBCWBLY-UHFFFAOYSA-N 432.532 5.649 30 10 IKEE CCc1ccc(N=C2SC(=CC=Cc3ccccc3)C(=O)N2c2ccc(CC)cc2)cc1 2297455882 PPVNLTXZAAHASO-UHFFFAOYSA-N 438.596 7.176 30 10 IKEE CCN1C(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=Nc1cccc(C)n1 2314540581 TYRWQHDDZQUAGN-UHFFFAOYSA-N 434.477 5.182 30 10 IKEE FC(F)(F)c1nnc(S)n1N=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 2321755860 PGEIIIAWKCGYKM-UHFFFAOYSA-N 447.269 5.354 30 10 IKEE C[C@H](c1ccccc1)c1nnc(S)n1N=Cc1cccc(OCc2cccc(Cl)c2)c1 2321962549 KWUADAZVLVBMQF-QGZVFWFLSA-N 448.979 5.833 30 10 IKEE COc1cccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN([C@H](C)c2ccccc2)C4)c1 2322092399 XTNKOWXBMVTCEP-GOSISDBHSA-N 427.500 5.533 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc3ccccc3c2)c1OCc1ccccc1F 2322321630 GXYFTSUUVOIUIL-UHFFFAOYSA-N 446.905 7.116 30 10 IKEE CCCN(CCC)C(=O)COc1c(C=CC(=O)c2ccccc2)cc(Cl)cc1OC 2322545738 CNYLPCLTVLVXLZ-UHFFFAOYSA-N 429.944 5.272 30 10 IKEE COc1cccc2cc(C(=O)Oc3ccc4c(c3C)OC(=Cc3ccc(C)cc3)C4=O)oc12 2322860458 UBOKQIJSJRKVNR-UHFFFAOYSA-N 440.451 5.894 30 10 IKEE COc1ccc(OC)c(C=C2Oc3cc(OC(=O)c4cccc(C)c4)cc(C)c3C2=O)c1 2322880902 UZXVYRCHPLXEPB-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1ccccc1F)c1cc(Cl)ccc1Cl 2323002892 GYEHQHPZUKDISB-UHFFFAOYSA-N 435.709 7.261 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)c(OCC(=O)Nc3ccccc3)c(OC)c2)cc1 2323461043 RNODHDYMJRBYBJ-UHFFFAOYSA-N 449.934 5.825 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(F)c(C)c3)cc2Cl)c1 2323970518 LQOUMUDYSVSVEZ-UHFFFAOYSA-N 437.898 6.010 30 10 IKEE Cc1cc(O)c(CN2CCCc3ccccc32)c2c1C(=O)C(=Cc1cccc(Cl)c1)O2 2324023860 XROVCHQGRKKBAD-UHFFFAOYSA-N 431.919 5.923 30 10 IKEE O=C1C(=Cc2ccc(F)cc2)Oc2c1ccc(O)c2CN1CCC(Cc2ccccc2)CC1 2324025503 HGCUVICGFVHYND-UHFFFAOYSA-N 443.518 5.602 30 10 IKEE CCN(CC)C(=O)COc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1Cl 2324059290 LEKVOVYJUFEKHS-UHFFFAOYSA-N 427.972 5.781 30 10 IKEE COC(=O)c1ccc(C=C2Oc3cc(OCCCOc4ccccc4)cc(C)c3C2=O)cc1 2324241322 YBJLQZZMVSWMCB-UHFFFAOYSA-N 444.483 5.246 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)ccc1OCc1ccccc1 2324290179 CSBRJNPPBKPCAI-UHFFFAOYSA-N 436.507 6.963 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccc(C)cc4Cl)c3C)C2=O)cc1 2325299202 FZZADVSKNWDKEG-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccc(F)cc2)c1 2325441584 HMFHNJNMYZIGBX-UHFFFAOYSA-N 430.552 5.685 30 10 IKEE COc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccc(Cl)cc2)cc1 2325491105 CMZMOHRAOWRQDW-UHFFFAOYSA-N 448.979 5.705 30 10 IKEE COc1ccccc1C=Nn1c(Cc2ccccc2)nnc1SCc1ccc(Cl)cc1 2325493041 DNHVCKPVFCBWKH-UHFFFAOYSA-N 448.979 5.705 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2cccs2)C3=O)cc1Cl 2325729378 OKMQFOHQWPZHAZ-UHFFFAOYSA-N 439.920 5.652 30 10 IKEE CCCSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1ccccc1F 2325965000 ZVEWBKKFIYHKPS-UHFFFAOYSA-N 433.350 5.155 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1c(C)n(CC)c2ccccc12 2326600982 IIRMLDHDNCVNEY-UHFFFAOYSA-N 445.636 6.305 30 10 IKEE Cc1nn(C2CCCC2)cc1C=CC(=O)c1cc2cc(Br)ccc2oc1=O 2328654109 HWEAXRUDLVEKMF-UHFFFAOYSA-N 427.298 5.072 30 10 IKEE Cc1cccc(CSc2nnc(CCc3cccs3)n2N=Cc2cccc(F)c2)c1 2329641144 YWRLYAYTVSIJHN-UHFFFAOYSA-N 436.581 5.747 30 10 IKEE CCCSc1nnc(COc2ccccc2)n1N=Cc1ccc(OC(C)C)c(OC)c1 2329920539 NXFUPXGWFSBZHM-UHFFFAOYSA-N 440.569 5.037 30 10 IKEE Cn1cccc1C=Nn1c(CCc2ccccc2)nnc1SCc1cccc(Cl)c1 2330210319 KNAJUXDFFSRFKB-UHFFFAOYSA-N 435.984 5.230 30 10 IKEE Cc1ccccc1C=Nn1c(CC2CCCCC2)nnc1SCC(=O)Nc1ccccc1 2330227394 JZBCEVCMIGULOJ-UHFFFAOYSA-N 447.608 5.322 30 10 IKEE CCCOc1ccc(C=NNC(=S)NC2CCCCCCCCCCC2)cc1OC 2330452234 OJAFUOIFWBSSPQ-UHFFFAOYSA-N 433.662 5.955 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCC)NC(=O)C=Cc1ccc(Br)cc1 2330492350 MXXALUAUXQLFPX-HXUWFJFHSA-N 437.422 5.224 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1 2330620372 MEECXTDHXFSKSV-UHFFFAOYSA-N 437.451 5.792 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3ccccc3)nnc2-c2ccccc2)cc1 2330670840 QBIYJEKDWQWPGA-UHFFFAOYSA-N 428.561 5.908 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(CC(C)(C)C)n2N=Cc2ccccc2C)cc1 2330822196 CDTZRNMCFZQIGF-UHFFFAOYSA-N 435.597 5.097 30 10 IKEE CC(C)(C)c1ccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2)cc1 2331162072 PVOKIDVOENBCRM-UHFFFAOYSA-N 442.555 6.645 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cccc4ccccc34)cc2)cc1 2331188441 CIIDKXDFXHJNRL-UHFFFAOYSA-N 436.507 6.283 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2)c1 2331215849 ILIOZPLAEADEGV-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2)c1 2331216220 DLLFPYKOWLTYMB-UHFFFAOYSA-N 428.528 6.273 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)c1ccccc1F 2331232765 XEKWQEOBHFBKCQ-UHFFFAOYSA-N 444.502 6.295 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1ccccc1[N+](=O)[O-] 2331260412 DRCVCEOUYMMYTN-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)c1ccccc1F 2331331650 ZNUXZMMQXJJLRB-UHFFFAOYSA-N 442.845 6.051 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(C(=O)OC)cc1 2331338048 VBOUBVUOVYYLNO-UHFFFAOYSA-N 442.972 5.235 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(CC(C)C)n2N=Cc2sccc2C)c1 2331424705 HHFZLBKWJRPDPO-UHFFFAOYSA-N 441.626 5.076 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CC3CCCCC3)c(OC)c2)cc1F 2331467487 WVZIRWOYPJTZRW-UHFFFAOYSA-N 426.484 5.615 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CCC2)cc1 2331535370 RQPSHCIBBBTOFV-UHFFFAOYSA-N 442.588 6.272 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2ccc(Cl)cc2)nnc1C1CCC1 2331539690 KFCOTSJTRHQJEK-UHFFFAOYSA-N 441.000 6.162 30 10 IKEE CCCCCOc1ccc(C=Nn2c(COC)nnc2SCc2cccc(C)c2)cc1 2331562190 PVIWAHNRDLWTFC-UHFFFAOYSA-N 438.597 5.476 30 10 IKEE COCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(Cl)cc1Cl 2331579701 AXBLJEYEMRLDCR-UHFFFAOYSA-N 441.771 5.559 30 10 IKEE COc1ccc(OC)c(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C(C)C)c1 2331706716 OYAGENJBEJFPPJ-UHFFFAOYSA-N 430.961 5.247 30 10 IKEE Cc1cccc(Cl)c1COc1ccc(/C=N/Nc2n[nH]c(SC3CCCCC3)n2)o1 20425232 AVJOXGWQNAKJRE-FSJBWODESA-N 445.976 5.809 30 10 IKEE CCOc1ccc(C(=O)/N=C(/NCCc2c[nH]c3ccccc23)Nc2cccc(F)c2)cc1 32943468 XNTXMCHBNFWUAO-UHFFFAOYSA-N 444.510 5.146 30 10 IKEE O=C(/C=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(NC(=O)c2ccco2)c1 35568729 XZVDMONATQLKKA-BENRWUELSA-N 428.400 5.596 30 10 IKEE O=C(/C=C1\S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)Nc1cccc(Cl)c1 35904219 GZDUYTRYVKOIIC-DXDFYKGMSA-N 433.920 5.630 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccc(C(C)C)cc1 40096097 OLUXTXRATKJXQD-MZNJEOGPSA-N 433.548 5.512 30 10 IKEE C=CCc1ccccc1OCCCn1c([C@H](C)Oc2ccc(Cl)cc2)nc2ccccc21 40236792 VHYSOPMGHDORIC-FQEVSTJZSA-N 446.978 7.027 30 10 IKEE CCCNc1ncnc(Nc2cc(Cl)c([C@H](C#N)c3ccc(Cl)cc3)cc2C)c1N 40688622 LABNVVZVDWOXML-QGZVFWFLSA-N 441.366 5.895 30 10 IKEE COc1ccc([C@@H]2CC(=O)C(C(=S)Nc3ccccc3)=C(Nc3ccc(C)cc3)C2)cc1 58840127 ZSRJWXUJYJHCDD-FQEVSTJZSA-N 442.584 6.256 30 10 IKEE CCc1cccc(C)c1-n1c(C)cc(/C=N/c2cccc(I)c2)c1C 59105201 HGFPQKNZLJYSDK-ZVHZXABRSA-N 442.344 6.320 30 10 IKEE Cc1cc(Cl)ccc1NC(=O)c1oc2c(c1C)/C(=N\Nc1ccccc1)CC(C)(C)C2 101108898 MCBALSFHCIBMJZ-BRPDVVIDSA-N 435.955 6.591 30 10 IKEE CCOc1ccc(/N=C2\NC(=O)S\C2=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 110568400 LJCJUFSNBZGOSE-XSFVSMFZSA-N 434.477 5.312 30 10 IKEE CCCCCCCCc1ccc2c(c1)sc1c3ccc(-c4ccccc4)cc3sc21 147490085 JNKNXBSGHUYBAT-UHFFFAOYSA-N 428.666 9.839 30 10 IKEE CCCCOc1ccc([C@H]2NC(=S)N(C)C(C)=C2C(=O)c2ccccc2)cc1OCC 169935026 IPDXGGXRUVIHTO-HSZRJFAPSA-N 438.593 5.282 30 10 IKEE CCCCCCCCCOc1ccc(-c2nc3cc(OC)c(OC)cc3[nH]2)c(Cl)c1 169942524 XEOPXGFZHREJGV-UHFFFAOYSA-N 430.976 7.030 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccccn1 169993852 QDPBHYQDHFQASD-QFIPXVFZSA-N 443.890 5.308 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccccc2)cc1 170028840 MRSCVLIZENOECT-QFIPXVFZSA-N 433.891 5.522 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccc(F)cc2)cc1 170062057 XDRUWLOJYOUKTB-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE C=CCN1C(=O)C(Nc2cccc(OCCC)c2)=C(c2ccc(Cl)cc2Cl)C1=O 170134865 RDVCTZLOZCDCBW-UHFFFAOYSA-N 431.319 5.160 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@H]1c1cccc(C)c1 170147334 VETPAOMVHRURON-XMMPIXPASA-N 449.591 6.070 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(OC(C)C)cc1 170152430 WAALZPZIFOPGPI-QHCPKHFHSA-N 437.536 5.249 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2cccs2)c(OC)c1 170158751 IZGVKJQDZIBRKA-JOCHJYFZSA-N 449.528 5.165 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccccn1)c1ccc(Cl)c(Cl)c1 170168076 KEEUNNYPMXFCKG-GOSISDBHSA-N 445.327 5.228 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2cccnc2)c1 170185288 UNUCDUYDJGOBNU-DEOSSOPVSA-N 442.515 5.269 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2cccnc2)c1 170187426 LYVJAYLJQRHMDQ-VWLOTQADSA-N 434.495 5.635 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1cccnc1)c1cccc2ccccc12 170197443 PUFRZQQOGOJTSG-XMMPIXPASA-N 438.458 5.152 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccncc2)cc1C 170202473 VOLJLVDKBTUJPT-XMMPIXPASA-N 442.515 5.107 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccccc1 170222681 XGBLVVGGOJEFKL-QFIPXVFZSA-N 431.463 5.234 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2)cc1C 170223537 SHWTUYQPOHLTHL-HSZRJFAPSA-N 431.463 5.316 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccccc2)cc1Cl 170225475 BURIRWAZSBHFGI-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccccc2)c1C 170225799 POTBSRGXVHOQJJ-SANMLTNESA-N 437.539 5.965 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2ccccc2)cc1 170229183 NUIYZKUUEWJCJT-QHCPKHFHSA-N 449.453 5.537 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1 170231607 FHYTZHUOFMNONT-OAQYLSRUSA-N 439.939 5.568 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Br)ccc3o2)[C@H]1c1ccccc1 170232808 XNEZYBFFHAXDRQ-LJQANCHMSA-N 440.293 5.184 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccccc1F)c1ccc2ccccc2c1 170247971 DYPABTZOLITQJD-DEOSSOPVSA-N 441.433 5.901 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2cn(C)c3ccccc23)cc1C 170269673 DAJZFBCLUOGWNV-XMMPIXPASA-N 446.547 5.264 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1ccco1 170283155 PHBGPZSUEKHMCU-HXUWFJFHSA-N 437.879 5.341 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccc(C)o2)cc1 170300574 JIBNOMTUYZMMLO-HSZRJFAPSA-N 426.472 5.415 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(C)o2)cc1C 170303914 SDDGXHKVBDPGDH-HSZRJFAPSA-N 431.488 5.386 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C(C)(C)C)cc2)c1 170329699 TYLYHOYACOVQJH-XMMPIXPASA-N 441.527 5.776 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Br)c2)o1 170401986 MLERDSIWTHWOSS-LJQANCHMSA-N 438.277 5.133 30 10 IKEE CCCOC(=O)c1ccc(CN2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]2c2cccc(C)c2)cc1 170459289 AEJYNBPPZRZOAU-JOCHJYFZSA-N 449.547 5.073 30 10 IKEE CCOc1ccc2c(c1)O/C(=C/c1cccc(OCC)c1OC(=O)c1ccccc1)C2=O 210084103 VEHBQWGZWZRCDF-HZHRSRAPSA-N 430.456 5.319 30 10 IKEE N#Cc1c(N=C/C(Br)=C\c2ccccc2)oc(-c2ccco2)c1-c1ccco1 252512564 SIASYCLQGUBGGE-ZHFRNXLCSA-N 433.261 6.810 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1C12CC3CC(CC(C3)C1)C2 253579045 ZCZVVLYAJLINBT-UHFFFAOYSA-N 443.016 5.316 30 10 IKEE Cc1ccc(Br)cc1CC(=O)/C=C/c1ccc(NC(=O)OC(C)(C)C)cc1 406105803 MTISEFXVJCNOFY-XYOKQWHBSA-N 430.342 5.930 30 10 IKEE COC(=O)[C@]12CCC(C)(C)C[C@@H]1C1=CC[C@@H]3[C@]4(C)CC/C(=N\O)[C@@H]4CC[C@]3(C)[C@]1(C)CC2 504596337 UKXCLLYLCRBBDH-FVHFQSAVSA-N 441.656 6.765 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2c(C)n(C)c3ccccc23)c1 526487821 ADPDMOJUZUCIHL-SANMLTNESA-N 449.510 5.424 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 526488305 HOHRDRGVVNOJFJ-OAQYLSRUSA-N 449.825 5.316 30 10 IKEE COc1ccc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1OC 526607647 ZUIVTFLLALBVFK-QHCPKHFHSA-N 446.890 5.286 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccccc2Cl)c(C)c1 526812528 ZLIBPPMNNZWKEX-YUMHPJSZSA-N 447.007 6.314 30 10 IKEE CCOc1c(/C=N\n2c(CC)nnc2SCc2ccccc2Cl)cccc1OC 526816760 MRXYNTDSARNNAP-QRVIBDJDSA-N 430.961 5.076 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1cccc2c1OCC2 693149304 CDOHVOIAWIVREW-GOSISDBHSA-N 429.314 5.390 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@H](CNC(=O)OC(C)(C)C)C(C)C 698420514 VBMJFULHKAIDFI-ICSRJNTNSA-N 431.577 5.426 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@](C)(C#N)[C@H]1CC2CCC1CC2 698491600 ZCYAUQGWIDNOEJ-QELKIZGKSA-N 433.390 6.299 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@@H](C#N)c1sccc1Br 710819572 ICBDPUDWGDANQE-AWEZNQCLSA-N 427.751 6.170 30 10 IKEE C=CCC1([C@@H](Cc2ccc(C)c(Br)c2)NCC)CN(C(=O)OC(C)(C)C)C1 722918377 NLNNXKXNTFLAMK-LJQANCHMSA-N 437.422 5.091 30 10 IKEE COC(=O)c1ccc(C=NNc2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)s2)cc1 1084331677 ZYKZSOFIFKACBS-UHFFFAOYSA-N 447.947 6.363 30 10 IKEE C=C(Cn1c(N(CC)Cc2nc(O)c3sccc3n2)nnc1C(C)(C)C)c1ccccc1 1690325886 LGQDUENNOXAVGV-UHFFFAOYSA-N 448.596 5.026 30 10 IKEE CCCCOc1ccc(/C=C2\SC(=Nc3cccc(O)c3)N(CC)C2=O)cc1OC 1772764261 ZQHSWCXRRWVJPO-AWAAXKIWSA-N 426.538 5.204 30 10 IKEE O=C(O)c1ccc(C/N=C/c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)cc1 1857850359 ILFOLJKBIMKBAX-JVWAILMASA-N 432.907 5.691 30 10 IKEE Cc1sc(NC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)c(C#N)c1C 1859477622 AONQMBYMTHQRQX-UHFFFAOYSA-N 449.414 6.094 30 10 IKEE Cc1sc(NC(=O)c2c3c(nc4ccc(Br)cc24)CCCC3)c(C#N)c1C 1859647229 BBRVFWUXHWAPFZ-UHFFFAOYSA-N 440.366 5.678 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)c1ccccc1Br 1861020780 IGBKMCCSVSHNDB-QFIPXVFZSA-N 439.438 5.605 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)Oc1ccc(Cl)cc1 1861667534 MBXBUWMKVPGJNK-KNQAVFIVSA-N 437.024 5.355 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)CCCOc1ccccc1Cl 1861705482 FNJDVBDRXWOWCR-OAQYLSRUSA-N 439.040 5.651 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(O)cc1 1862381729 GPHBXSUXLASHOM-HXUWFJFHSA-N 448.346 5.858 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862392693 DFTVIOQVNNXUSF-QHCPKHFHSA-N 448.519 5.458 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1cccc(C)c1 1862412470 FMISRCPRZVKFFK-HSZRJFAPSA-N 449.453 5.060 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@H]1c1cccc(F)c1)c1ccc(F)cc1F 1862413865 MMRNINIECRSDMR-QFIPXVFZSA-N 441.449 5.573 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@H]2c2ccc(O)cc2)cc1 1862430640 OLHGSIULTJBCBH-JOCHJYFZSA-N 433.891 5.133 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(OCCCCC)cc1 1862439192 WNCQGWCBFSLVOE-JOCHJYFZSA-N 439.939 5.673 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCC2)cc1 1862449159 DLTBKKKLUVUUQF-QFIPXVFZSA-N 437.967 6.158 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2Cc2ccco2)cc1 1862458332 LQJXKXWTBSUZBW-NRFANRHFSA-N 441.405 5.038 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2Cc2ccco2)cc1 1862458333 LQJXKXWTBSUZBW-OAQYLSRUSA-N 441.405 5.038 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(OC(C)C)c(OC)c1 1862497562 NMDCUOKTYBYKSE-HSZRJFAPSA-N 437.536 5.088 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1cccc(F)c1 1862517939 YTEFPDKQOQADQD-QFIPXVFZSA-N 425.500 5.383 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)c1 1862614068 XERQVGPBMPOXLP-HFRGRHLUSA-N 445.603 6.450 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C(C)C)cc3)[C@@H]2c2ccccc2)cc1 1862660137 IYRLHZXDPALGQH-VWLOTQADSA-N 425.528 5.897 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCc3cnc[nH]3)[C@@H]2c2ccccc2Cl)cc1 1862662273 WQCVVLGAHDXIRT-JOCHJYFZSA-N 449.938 5.008 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2Cl)cc1 1862662282 WRLYYDDEZGRRBV-QHCPKHFHSA-N 446.934 5.637 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CC(C)C)cc1 1862668535 BGQASLFHDUTMNH-XMMPIXPASA-N 435.564 5.833 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C(C)C)cc1 1862670548 WMYWNMPXZSROHC-DEOSSOPVSA-N 435.564 5.976 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@H]1c1cccc(Cl)c1)c1ccc(F)cc1 1862675391 JKUOCZKXNRDEFK-QFIPXVFZSA-N 441.930 6.170 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862676746 QFNUENGMHKOXSN-HSZRJFAPSA-N 437.511 5.526 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2ccc(F)cc2)c1 1862703105 RGEQRMSPDPFSRF-XMMPIXPASA-N 445.490 5.045 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1cccc(O)c1)c1ccc2ccccc2c1 1862713345 MWCCRQXAKDBXCX-VWLOTQADSA-N 435.479 5.324 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 1862736444 YGFQXPZLXLVSKX-IVZQSRNASA-N 446.434 5.073 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3cccc4ccccc34)C2=O)cc1C 1862842112 BXOGTEKQMBBAJA-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE CCCOc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(C)cc3)C2=O)cc1 1862891273 KHQJDXKVMZAELS-UHFFFAOYSA-N 437.499 5.052 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(Cl)cc2)C1=O 1863173459 RHNKVISDNNVYHB-INIZCTEOSA-N 427.891 5.165 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2OCCCC)=C(c2cccc3ccccc23)C1=O 1863228083 LJWFDXANWZBWAR-UHFFFAOYSA-N 426.516 5.397 30 10 IKEE CC(C)Oc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N([C@H]3CCCC[C@H]3C)C2=O)cc1 1863357352 IUMZZLYYDNSLBQ-JPYJTQIMSA-N 443.547 5.116 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(F)ccc2F)=C(c2ccc(F)c(C)c2)C1=O 1863464002 YNEARSZWAYULSR-UHFFFAOYSA-N 444.497 5.965 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2c[nH]c3ccccc23)C1=O 1863493083 XEPSOGFFHQIAOA-HXUWFJFHSA-N 440.547 5.590 30 10 IKEE C=CCNC1=C(c2cc(Cl)ccc2Cl)C(=O)N([C@@H](C)c2ccc(CC)cc2)C1=O 1863733341 FIOIEZKBGDSYCL-AWEZNQCLSA-N 429.347 5.173 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccc(F)cc2)=C(c2c[nH]c3ccccc23)C1=O 1863817093 AANLZEWNCKXBFZ-UHFFFAOYSA-N 447.554 5.537 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1cccc(C(=O)OCCC)c1 1866029983 SFCVXRKEJPSCRA-UHFFFAOYSA-N 445.688 8.453 30 10 IKEE C[C@H]1CN(c2cc(Nc3ccccc3C#N)nc(C(C)(C)C)n2)C[C@H](C)N1c1ccccc1 1868350689 NNEIUNADOJWYDV-PMACEKPBSA-N 440.595 5.493 30 10 IKEE CCCCCCCCCCn1cc(OC)c(=O)cc1CNc1cccc(C(C)(C)C)c1 1870999553 FEVKJXATQNXIQK-UHFFFAOYSA-N 426.645 6.907 30 10 IKEE C#CCOc1cn(CCc2ccccc2)c(CNc2cc(C(C)C)cc(C(C)C)c2)cc1=O 1871005317 AAZFKVZVIIPJAZ-UHFFFAOYSA-N 442.603 5.962 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)cc2Cl)c(=O)cc1CNc1ccc(C)c(F)c1 1871249074 KMNLVEPTNQFIFN-UHFFFAOYSA-N 447.337 5.980 30 10 IKEE CCCCCCN1COc2c(cc3c(c2C)O/C(=C\c2cn(CC)c4ccccc24)C3=O)C1 1871353705 YAPLDRNHRSXZGO-MYYYXRDXSA-N 444.575 6.318 30 10 IKEE COc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN(C2CCCCCCC2)C3)C1=O 1871355434 KZLIBCWBNCQSIH-IWIPYMOSSA-N 433.548 5.885 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN(C2CCCCCCC2)C3)C1=O 1871355804 WUHCCXMNSDXRHZ-XYGWBWBKSA-N 447.575 6.275 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OC(=O)/C=C/c3ccc(C)cc3)cc(C)c2C1=O 1871366805 NFGMOXAWABGHDW-IFYOAUBMSA-N 440.495 5.937 30 10 IKEE COc1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871377107 VDYPDOVEDVWKPU-LABNAMAPSA-N 430.431 5.378 30 10 IKEE COC(=O)c1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871381829 FTYQNYFNVXJLKU-DHLMYGRGSA-N 440.451 5.017 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc2C1=O 1871384396 ZABZJOFMBDWBDB-ZDLGFXPLSA-N 441.848 5.454 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 1871389419 VAUVNDOOKQFHIS-XKZIYDEJSA-N 446.430 5.285 30 10 IKEE CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2cccs2)C3=O)c1 1871426574 SNRXSKROMZNGSL-GLFIFPSUSA-N 447.512 5.281 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccc(C#N)cc4)cc(C)c3C2=O)cc1 1871436204 QEUWIZBZKWKRNA-DNNAEVNTSA-N 438.483 5.197 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCc4ccc(C(=O)OC(C)C)o4)ccc3C2=O)cc1 1871438983 BJOGMHUIUXNNFW-CFRMEGHHSA-N 432.472 5.602 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(Cl)cc4F)ccc3C2=O)o1 1871446813 IPNIZXKDUCZPQO-JMIUGGIZSA-N 427.815 5.014 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2F)C3=O)c1 1871454635 VFJAEEGRGCDJBW-FMCGGJTJSA-N 431.463 5.385 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1 1872770515 WSPOUCKSVLWZTB-QGZVFWFLSA-N 441.896 5.651 30 10 IKEE N#C[C@@H](C(=O)/C=C/c1ccc(Cl)cc1Cl)c1nc(-c2cccc3ccccc23)cs1 1872775341 OFKWSDGMNBVLAM-BQYDLMEBSA-N 449.362 7.160 30 10 IKEE COc1c(Cl)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)Cc2ccc(F)c(C)c2)n1 1872778381 KFMOAHOOZFIYDR-HNNXBMFYSA-N 449.334 5.992 30 10 IKEE Cc1cc(C)c(-c2csc([C@@H](C#N)C(=O)c3ccc4nc(C)c(C)nc4c3)n2)c(C)c1 1872786454 KUIMWQWCRNJCRH-IBGZPJMESA-N 426.545 5.785 30 10 IKEE COc1ccc(OC)c(/C=C/C(=O)[C@@H](C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)c1 1872786600 NWOQHVLFWDHZOB-CPSHHHPTSA-N 432.545 5.642 30 10 IKEE CCCCCCCCNC1=C(c2ccc(OC)cc2)C(=O)N([C@H](CC)CCCCC)C1=O 1873143097 VHAREIUWCMFUEV-JOCHJYFZSA-N 442.644 6.084 30 10 IKEE CCCc1nnc(SCc2ccccc2)n1/N=C/c1ccc(-c2ccc(C(C)=O)cc2)o1 1873501133 LJHHOMHVDHXQKV-WGOQTCKBSA-N 444.560 5.868 30 10 IKEE CCCCCCCCCCNC(=O)c1cc2c(N(C)CCCC)ncnc2n1CC(C)C 1873578310 GAJKSJKPJKYQFI-UHFFFAOYSA-N 443.680 6.194 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(C)cc1C)n2CC(C)C 1873621512 UPLQZFABZJWYJD-UHFFFAOYSA-N 449.643 6.729 30 10 IKEE C=CCn1c(C(=O)Nc2cc(C)ccc2C)cc2c(N(CCCC)CCCC)ncnc21 1873662225 HBTBBYGYZOMCTL-UHFFFAOYSA-N 433.600 5.893 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(OC)cc2C)cc2c(N(CCCC)CCCC)ncnc21 1873662396 NTXCZNJNZNAQAZ-UHFFFAOYSA-N 449.599 5.593 30 10 IKEE CCSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1ccccc1Cl 1874204513 GJNGGZZCLJWAAS-LSHDLFTRSA-N 441.771 5.812 30 10 IKEE CCSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1ccc(C(C)C)cc1 1874207545 PFIPVUYPKZOHEB-OEAKJJBVSA-N 443.414 5.749 30 10 IKEE CCCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccccc1Cl 1874217478 CFFSBGFGTLMBDW-WYMPLXKRSA-N 449.407 6.165 30 10 IKEE C=CCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc(F)cc1F 1874233981 LRPSAYGRNCXPRO-JVWAILMASA-N 434.515 5.655 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2cccc(O)c2)cc1 1874303129 JJBNOKOLYKBDIQ-YZSQISJMSA-N 444.560 5.148 30 10 IKEE Cc1ccccc1/C=N/n1c(CCc2cccs2)nnc1SCc1ccccc1F 1874371730 NSHKPIUKYXULQU-MFKUBSTISA-N 436.581 5.747 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCC)nnc2-c2cccs2)cc1OCC 1874423218 AKDTVUYHJZYIIR-PXLXIMEGSA-N 430.599 5.578 30 10 IKEE CC(C)(C)Cc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccccn1 1874440307 SSZLPZIJNCOPGQ-WYMPLXKRSA-N 434.396 5.743 30 10 IKEE C=C(C)CSc1nnc([C@@H]2CCCO2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874446696 IWEQVYCBVXTVLK-IBUSPFOHSA-N 434.565 5.259 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3cccc(C)c3)nnc2C(F)(F)F)c1 1874461179 ACZNIBBVPVADEX-DHRITJCHSA-N 434.487 5.569 30 10 IKEE COc1cc(/C=N/n2c(SCc3cccc(F)c3)nnc2C(C)(C)C)cc(Cl)c1O 1874482402 CNIQVWKADMUMJP-BHGWPJFGSA-N 448.951 5.257 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)C)n2/N=C/c2ccc(Cl)cc2Cl)c1 1874489704 GKTLXDHWYZHPTH-BRJLIKDPSA-N 447.435 6.575 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1cccc(Br)c1 1874510185 FZJTXPLRGXELGV-WSDLNYQXSA-N 449.805 5.821 30 10 IKEE COc1cc(/C=N/n2c(C)nnc2SC)ccc1OCc1c(Cl)cccc1Cl 1874529605 RQBVNDHREGAGOP-LSHDLFTRSA-N 437.352 5.085 30 10 IKEE CCCOc1ccccc1/C=N/n1c(S)nnc1COc1cc(C)c(Cl)c(C)c1 1874568746 OHQFBDKITXMERM-FSJBWODESA-N 430.961 5.087 30 10 IKEE O=C(COc1ccccc1/C=C/C(=O)c1ccc(Br)cc1)NC1CCCCC1 1874574522 QPDKPVASFYMYNJ-NTCAYCPXSA-N 442.353 5.173 30 10 IKEE O=C(COc1ccc2ccccc2c1/C=C/C(=O)c1cccc(Cl)c1)Nc1nccs1 1874577252 FHLAUPUNMGNNHY-MDZDMXLPSA-N 448.931 5.863 30 10 IKEE O=C(COc1ccc(Br)cc1/C=C/C(=O)c1ccccc1)Nc1ccccc1 1874578182 ADORFNRXJDEDGF-ACCUITESSA-N 436.305 5.363 30 10 IKEE Cc1ccc(C)c(COc2ccc(Cl)cc2/C=C/C(=O)c2ccc3c(c2)OCCO3)c1 1874581708 BONWOFCJQTVHGC-VMPITWQZSA-N 434.919 6.203 30 10 IKEE COc1cccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)c1OCc1ccccc1Cl 1874585720 BTOFQXHANKCYAZ-BUHFOSPRSA-N 434.963 7.057 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OCc3cc(C)ccc3C)c2)cc1C(C)C 1874598590 URSHBZOSOPNMHS-OUKQBFOZSA-N 428.572 7.219 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)c(OC)c1 1874600565 SIBDEQFTPLGLCU-UKTHLTGXSA-N 445.515 5.234 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2)c(C)c1 1874610976 VNHPBCNCOMOQBQ-MKMNVTDBSA-N 430.460 5.125 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OCc1cccc2ccccc12 1874614762 QVRLNKXBFLRCFW-FOCLMDBBSA-N 442.942 7.367 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1cccc(C)c1C 1874616487 CNTVXRMUBQDZRD-GXDHUFHOSA-N 429.516 5.534 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1Cl 1874618725 PWIAAGGQNFPGBF-UXBLZVDNSA-N 431.935 5.711 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OCC 1874620179 MXVBHKJJUPSIIN-XYOKQWHBSA-N 441.543 5.456 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1OC(=O)COc1ccccc1 1874711420 ZFEBNQVJTJTEBR-ACCUITESSA-N 444.527 5.809 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccc(N(C)C)cc2)c1 1874715087 COMVVOVAAQYHTD-MDWZMJQESA-N 449.934 5.838 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cccc(OC)c2)cc1OCC 1875100658 HTSZFXGUMNYLGP-BMRADRMJSA-N 438.564 6.646 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)COc1ccc(Cl)c(C)c1 1875129348 XJOZTVWCGGWNME-XYOKQWHBSA-N 436.891 5.538 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)c1ccccc1F 1875140017 LVSSLYJDMUQLIC-BUHFOSPRSA-N 444.502 6.295 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3F)c([N+](=O)[O-])c2)c1 1875140518 KKVWWTHPKJAXCI-WEVVVXLNSA-N 437.398 5.605 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)Cc1ccc(OC)cc1 1875142244 RMUFVSWPXZNRIC-NTUHNPAUSA-N 448.490 5.586 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)[C@H]2C[C@H]2c2ccccc2Cl)cc1 1875143697 MOQDUNBQEIESDO-BYSZYJCHSA-N 446.930 6.262 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)ccc1OC(=O)c1ccccc1C 1875151805 CSUJWJVYSSRJCM-FMIVXFBMSA-N 434.463 5.657 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(Cl)c1OC(=O)c1ccccc1 1875153740 VMJCUKFEBURBRU-CCEZHUSRSA-N 442.898 6.617 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc(Cl)c1OC(=O)C1CC1 1875167160 RUSOEHHPAUHMHH-UXBLZVDNSA-N 428.912 5.576 30 10 IKEE COc1cc(C(=O)/C=C/c2ccc(OC(=O)Cc3cccs3)cc2)c(OC)cc1Cl 1875173001 RQSONWHDNPQJOM-JXMROGBWSA-N 442.920 5.463 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2[N+](=O)[O-])cc1 1875175010 UZUMITGOMIYGKI-FMIVXFBMSA-N 429.472 5.564 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(N(C)C)cc3)c(Cl)c2)c(C)c1 1875182522 HQDHNFRNGNKTBC-WUXMJOGZSA-N 447.962 6.447 30 10 IKEE C=C(c1ccccc1)[C@H](NC)c1ccc(I)c(Br)c1 1888681943 JPWDWXAQMVNWOW-INIZCTEOSA-N 428.111 5.028 30 10 IKEE N#Cc1cccnc1OCC1CCN(C(=O)c2ccc(-c3cccc(Cl)c3)cc2)CC1 1891419279 LAELSKDIDMRPLP-UHFFFAOYSA-N 431.923 5.205 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Cl)cc1Br 1898789640 UIBYBRJYHMYDAZ-QZTJIDSGSA-N 445.829 6.003 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CCC[C@@]2(C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 1918313772 HSINGTIROCZROK-VWLOTQADSA-N 441.572 5.107 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](O)c1cccc(OCc2ccccc2)c1 1922102209 GOBGJQVECNAFED-VSGBNLITSA-N 431.576 5.440 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(C(=O)OC(C)(C)C)[C@H]3CCC[C@@H]32)cc1 1926547067 WWYQAHXWZPFJLV-ZYLNGJIFSA-N 441.572 5.418 30 10 IKEE Cc1cc(Br)c(F)c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)c1 1927537498 GOCXVUWYGNEANL-QGZVFWFLSA-N 437.284 6.042 30 10 IKEE CCCCCCCCC[C@H](NCC)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1946541499 QVTYWNZEPADIDB-BJKOFHAPSA-N 434.665 6.215 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc([C@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccccc2)c1 2027943557 ZKMPQDQSLVQQPL-VWLOTQADSA-N 437.540 6.214 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@]1(C#N)CCN(Cc2ccccc2)C2(CC2)C1 2042187335 BJAGFHFMKVCRRU-AREMUKBSSA-N 435.543 5.658 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C(C)(C)C1 2065982019 NNXIKSVQTGZBBE-DEOSSOPVSA-N 447.551 5.497 30 10 IKEE CN[C@H](CC#C[Si](C)(C)C)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2067279731 AOIWZSKVENCZHY-MRXNPFEDSA-N 425.443 5.328 30 10 IKEE CCCc1ccc([C@H](C2CC2)n2nc(C3CCC3)c(C#N)c2I)cc1 2079857433 AGOKPYWSYMIVBJ-HXUWFJFHSA-N 445.348 5.579 30 10 IKEE CCCc1ccc([C@H](C2CC2)n2nc(C(C)C)c(C#N)c2I)cc1 2080036609 WTAVUJVVZHKVEP-LJQANCHMSA-N 433.337 5.435 30 10 IKEE CC[C@@]1(Nc2cc(Br)cc(F)c2C#N)CCCN(C(=O)OC(C)(C)C)C1 2107449258 GDVUSESLNZXYHI-LJQANCHMSA-N 426.330 5.051 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(Nc3cccc(Br)c3C#N)CCCCC[C@H]12 2162340940 CWGJPSLRHYNXNQ-GHTZIAJQSA-N 434.378 5.445 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](O)c1c(F)cc(C)cc1Br 2173407312 LYGASADNXKTUFA-FCHUYYIVSA-N 436.365 5.071 30 10 IKEE C#CC[C@@H](C[C@H](NCC)c1ccc(Br)cc1I)C1CC1 2207273086 RLPMGIMEJCMDDF-GUYCJALGSA-N 446.170 5.144 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCC[C@H]2Nc2cc(Br)ccc2C#N)C1 2233764392 RIXQHHZHYDYNTI-CGTJXYLNSA-N 434.378 5.158 30 10 IKEE C=C(C)CCCC[C@H](N)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2271749847 HSNPJJDHSFXGEL-RBUKOAKNSA-N 425.411 5.349 30 10 IKEE Cc1ccc(SC2=CC(=NS(=O)(=O)c3ccc(F)cc3)c3ccccc3C2=O)cc1 2293092005 FMGGJQSMQIOMEV-UHFFFAOYSA-N 437.517 5.185 30 10 IKEE COCCN1C(=O)C(=Cc2ccc(-c3ccc(C#N)cc3)o2)SC1=Nc1ccccc1 2294013783 APARRRRJBVTTQW-UHFFFAOYSA-N 429.501 5.069 30 10 IKEE COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O 2294516840 KAHOQLSJMYOJGP-UHFFFAOYSA-N 444.443 5.040 30 10 IKEE CN(CC[C@@H](Nc1cc(Br)cc(F)c1C#N)C(C)(C)C)C(=O)OC(C)(C)C 2296007084 WAJJXMAAPJGCHV-QGZVFWFLSA-N 442.373 5.543 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1CN(Cc2ccccc2)C(C)(C)C1 2296219811 RPZHGKHZECSXAW-GMAHTHKFSA-N 425.414 5.079 30 10 IKEE CC=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C#Cc1cccc(Br)c1)NCCC 2296265731 AHTHXHVXMMMJIP-UXHICEINSA-N 435.406 5.028 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)C[C@@H](NC(=O)OC(C)(C)C)C(C)C 2296309673 YYIJFEZQHKHPHZ-VQTJNVASSA-N 437.422 5.108 30 10 IKEE COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=Cc2ccc(-c3cccc(Cl)c3)o2)C1=O 2297312890 VDQNIUKAYFRQEO-UHFFFAOYSA-N 437.854 5.616 30 10 IKEE COC(=O)C=C1SC(=Nc2ccc(C)c(Cl)c2)N(c2ccc(C)c(Cl)c2)C1=O 2297562252 BSOGMLWCQDXFAZ-UHFFFAOYSA-N 435.332 5.435 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(Cl)cc2)SC1=Nc1nc(-c2ccccc2)cs1 2314543815 MXEAUANDFPXSPA-UHFFFAOYSA-N 437.977 6.254 30 10 IKEE CCOC(=O)c1sc(NC(=O)C=Cc2ccc(OCc3ccccc3)cc2)c(C#N)c1C 2314735694 YRVOSAYBOSBRNV-UHFFFAOYSA-N 446.528 5.336 30 10 IKEE Cc1ccccc1COc1ccccc1C=Nn1c(S)nnc1COCc1ccccc1 2322016047 BIDCWAVTSGPHGM-UHFFFAOYSA-N 444.560 5.053 30 10 IKEE CCCCOc1ccc(C=Nn2c(S)nnc2CCCOc2c(C)cccc2C)cc1 2322214747 IDMLPYXHVOUHMD-UHFFFAOYSA-N 438.597 5.256 30 10 IKEE CCc1ccc([C@H](C)N2COc3ccc4c(c3C2)OC(=Cc2sccc2C)C4=O)cc1 2322260175 NWUIMRTUYPGVHS-KRWDZBQOSA-N 431.557 6.148 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCC(=O)Nc3ccccc3)ccc3ccccc23)cc1 2322451612 IMXRTMUUUKJUFE-UHFFFAOYSA-N 437.495 5.762 30 10 IKEE Cc1c(OC(=O)c2ccccc2)ccc2c1OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O 2322667103 UGFQFBVYKHUDBG-UHFFFAOYSA-N 448.858 5.350 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccccc1OCC(=O)Nc1ccc(C)cc1 2322845659 XXVASMBDLKOWEI-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE COC(=O)c1ccc(COc2cc(C=CC(=O)c3ccc(C(C)(C)C)cc3)ccc2OC)o1 2323188868 QZGFURFFXXGFEL-UHFFFAOYSA-N 448.515 5.847 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccccc1Cl)C2=O)c1ccc(Cl)c(Cl)c1 2323258936 HHQLSFZBXJEIPP-UHFFFAOYSA-N 445.685 6.482 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1cccc([N+](=O)[O-])c1 2323369489 BLTBPPPBXZUPRO-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)c1ccc2ccccc2c1 2323396168 BPELEKSGIORKGD-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE Cc1cc(OC(=O)C=Cc2ccc(C(C)C)cc2)cc2c1C(=O)C(=Cc1ccccc1F)O2 2323503448 XGBKOOQYCSQMSM-UHFFFAOYSA-N 442.486 6.493 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OCc2ccc(F)cc2)c(Br)c1 2323701907 IXZCHROCTYFMOL-UHFFFAOYSA-N 441.296 6.072 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2cc(C)ccc2OC)cc1 2323991004 MYJLDRSEPGBIKC-UHFFFAOYSA-N 429.516 5.480 30 10 IKEE O=C1C(=Cc2cccs2)Oc2c1ccc(O)c2CN1CCC(Cc2ccccc2)CC1 2324029728 IOZHQCSCKXQBHW-UHFFFAOYSA-N 431.557 5.525 30 10 IKEE N#C[C@H](C(=O)C=Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc3ccccc3c2)cs1 2324352110 JVHMXTNSFGQGCQ-LJQANCHMSA-N 449.362 7.160 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccncc2)C3=O)cc1Cl 2324356067 YDDNKSBXIUPSHL-INIZCTEOSA-N 448.906 5.374 30 10 IKEE CCCCC(=O)Oc1cc(C=CC(=O)c2ccc(C)cc2C)c(Br)cc1OC 2325736083 KREDPVZLEDRPPN-UHFFFAOYSA-N 445.353 6.066 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(C(F)(F)F)cc3)c2)cc1F 2325748713 MINRFKPXDBNCAJ-UHFFFAOYSA-N 444.380 5.968 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OC(=O)c1ccc(C)c(C)c1 2325750391 FEZUWONOOUCWKS-UHFFFAOYSA-N 428.528 6.551 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)[C@H](C)c3ccccc3)c2)c(OC)c1 2325760934 COWWLBZDASXZJD-GOSISDBHSA-N 446.499 5.318 30 10 IKEE Cc1ccc(CSc2nncn2N=Cc2c(Cl)ccc(Cl)c2Cl)c(C)c1 2326432870 LSXSPOQTIDYHQS-UHFFFAOYSA-N 425.772 6.030 30 10 IKEE CCCOc1ccc(C=Nn2c(C)nnc2SCc2cccc(Cl)c2)cc1OC 2326467572 XISIXUFVVWSTSL-UHFFFAOYSA-N 430.961 5.212 30 10 IKEE CCCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1cccc(OC)c1 2326608029 SOMJGBVBHOCOJP-UHFFFAOYSA-N 430.577 5.609 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@@H](C#N)[C@]12C[C@H](CCN1C(=O)OC(C)(C)C)C2 2326632510 ZTZCBLCUBVXRHS-TVVUZDRGSA-N 445.535 5.249 30 10 IKEE CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1c(F)cccc1Cl 2326906638 KSPVYYPVRZXTQC-UHFFFAOYSA-N 432.996 5.824 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1ccccc1OCCC 2328179805 NIRNCCSJVUHNFN-UHFFFAOYSA-N 440.657 6.691 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(Cl)cc3)n2N=Cc2cccnc2)c1 2329082182 VCDVEDNKGSYNMH-UHFFFAOYSA-N 433.968 5.400 30 10 IKEE Fc1cccc(C=Nn2c(CCOc3ccccc3)nnc2SCc2ccccc2)c1 2329190102 KIMWCCXNLBRZQU-UHFFFAOYSA-N 432.524 5.213 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2ccccc2)cc1C 2329395515 NLDUHSPCFKXIFL-UHFFFAOYSA-N 426.589 5.969 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3F)n2N=Cc2cccc(F)c2)cc1C 2329423893 VRAAYWNASGHMHL-UHFFFAOYSA-N 448.542 5.938 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(F)cc2)n1N=Cc1c(Cl)cccc1Cl 2329837384 QZHLTXAJGMFOLM-UHFFFAOYSA-N 435.355 5.865 30 10 IKEE Cc1cccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCc2cc(C)ccc2C)c1 2329842629 MHGMLWFJVWURTD-UHFFFAOYSA-N 444.579 6.108 30 10 IKEE Cc1ccc(O)c(C=Nn2c(Cc3ccc(F)cc3)nnc2SCCc2ccccc2)c1 2329847059 CLXRBLFCABRMIM-UHFFFAOYSA-N 446.551 5.239 30 10 IKEE Cc1cccc(CSc2nnc([C@H](C)c3ccccc3)n2N=Cc2cccc(F)c2)c1 2330073511 KNDNBSGTJBZJAC-LJQANCHMSA-N 430.552 6.052 30 10 IKEE O=C(CSc1nnc(CC2CCCCC2)n1N=Cc1cccs1)Nc1ccccc1 2330225911 ILMIGXRPWOVBCI-UHFFFAOYSA-N 439.610 5.075 30 10 IKEE CCOc1cccc(C=Nn2c(Cc3ccccc3)nnc2SCCc2ccccc2)c1 2330493401 RLEIRDDSMXHFKW-UHFFFAOYSA-N 442.588 5.485 30 10 IKEE CCCSc1nnc(-c2cccs2)n1N=Cc1ccc(OCc2ccc(C)cc2)cc1 2330592190 KVVBRGNUFNPUIK-UHFFFAOYSA-N 448.617 6.278 30 10 IKEE Clc1ccc(CSc2nnc(-c3cccs3)n2N=Cc2ccccn2)c(Cl)c1 2330608747 QWUHXKPXFNRJOS-UHFFFAOYSA-N 446.388 5.883 30 10 IKEE Fc1cccc(CSc2nnc(-c3ccccc3)n2N=Cc2ccc3c(c2)OCCO3)c1 2330651713 LYUJDGLVGSNQMG-UHFFFAOYSA-N 446.507 5.030 30 10 IKEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC(=O)CCCSC 2331017176 ZLIWBWOLAMANII-UHFFFAOYSA-N 449.912 5.202 30 10 IKEE O=C(CSc1nnc(C2CCCC2)n1N=Cc1ccc(Cl)cc1)Nc1ccccc1 2331020471 MQKYUNSYAGCYNE-UHFFFAOYSA-N 439.972 5.202 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)COc1ccc(C)c(C)c1 2331081192 CXGVGQPHJTXRPV-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE CCCSc1nnc(C2CCCC2)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2331084076 AIWJHCRUZGPMAM-UHFFFAOYSA-N 434.565 5.539 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)cc([N+](=O)[O-])c1OC(=O)CC(C)(C)C 2331129656 BMZATFJEIOKBTN-UHFFFAOYSA-N 445.899 5.885 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)c1ccccc1C 2331156054 FORLHEBDIPHEOI-UHFFFAOYSA-N 446.930 6.501 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)cc2)cc1 2331190129 KQPBCBPNHQKJQQ-BJKOFHAPSA-N 446.930 6.344 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(N(C)C)cc3)c(OC)c2)cc1 2331212551 PEBNURLIMAGFKU-UHFFFAOYSA-N 445.515 5.275 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)COc2cccc(C)c2C)cc1 2331351958 PVDMVBBARVMQEZ-UHFFFAOYSA-N 430.500 5.501 30 10 IKEE CCSc1nnc(C(C)(C)C)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2331390373 CQCCWLTYCYJZBQ-UHFFFAOYSA-N 428.989 5.802 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OC(=O)c1ccco1 2331409026 JXBOATCLZATBNB-UHFFFAOYSA-N 438.907 6.354 30 10 IKEE CC(C)(C)c1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(Cl)cc1 2331417711 KXDKEJNXEAPVJU-UHFFFAOYSA-N 437.371 6.196 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)c1ccc(F)cc1 2331510369 BVNMMAJRUXXGKV-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE Oc1ccccc1C=Nn1c(SCc2ccc(Cl)cc2Cl)nnc1C1CCC1 2331541919 TWBLDOUIXAHAFQ-UHFFFAOYSA-N 433.364 5.733 30 10 IKEE COCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(Cl)c(Cl)c1 2331608600 JWOQJXSBIOTYKX-UHFFFAOYSA-N 441.771 5.559 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(Cl)c3)cc2)cc1 2331817108 PQABEDIGOBBWRP-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE CCCCOc1ccc(-n2nnc(C#N)c2NC(=O)C=Cc2ccc(C(C)C)cc2)cc1 2332187178 DLYIDPNPHNTRPL-UHFFFAOYSA-N 429.524 5.093 30 10 IKEE CCOc1cccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OCC(C)C)cc2)C3)c1 21230718 HFZWKGZTOXOBCE-OFNKIYASSA-N 433.548 5.124 30 10 IKEE CC(C)COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 21255173 AHONFAWCVJGPQN-KPURRNSFSA-N 438.571 6.701 30 10 IKEE O=C1/C(=C/c2cccc(F)c2)Oc2cc(OCc3c(F)c(F)c(F)c(F)c3F)ccc21 33365921 WKMHMGILORXXHV-APSNUPSMSA-N 436.307 5.716 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O)c1ccccc1Br 33812411 JTJGSROPGRRXJZ-WQRHYEAKSA-N 427.275 5.346 30 10 IKEE O=C(/C=C/c1ccc(Cl)cc1Cl)c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 34955106 MPCMRWPMBIQGPW-YRNVUSSQSA-N 442.254 6.017 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2c2nccs2)cc1 35420784 PAKPXSNVLRWBJL-NGHDKMLMSA-N 446.528 5.114 30 10 IKEE Cc1cccc(N2CCN(C(=O)c3ccccc3Sc3ccccc3C#N)CC2)c1C 36259619 PGACDSDNUAWJMQ-UHFFFAOYSA-N 427.573 5.289 30 10 IKEE CN1C(=O)/C(=C/c2cn(C)c3ccccc23)S/C1=N/c1nc(-c2ccccc2)cs1 39865692 WJYYIFRBUJGPAQ-ROIOHNFESA-N 430.558 5.536 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc(OC(=O)c3cccc(OC)c3)c2C)C1=O 41287484 HKAXTXIEXKFRMT-HAHDFKILSA-N 430.456 5.238 30 10 IKEE COc1cccc(COc2cc(C)c3c(c2)O/C(=C\c2cn(C)c4ccccc24)C3=O)c1 41504171 HKYDRBLSBPAVAI-MXAYSNPKSA-N 425.484 5.691 30 10 IKEE COc1ccc(-c2nc(SC)nc(Nc3ccc(C(C)(C)C)cc3)c2C#N)cc1OC 62039782 RGIALJUHGLBSIQ-UHFFFAOYSA-N 434.565 5.795 30 10 IKEE CC1(C)OC(c2ccccc2)=C/C(=C\C=C\C(=O)/C=C(/c2ccccc2)N2CCOCC2)O1 83294459 SFPHJERGACFUPE-CTLSAFRLSA-N 443.543 5.193 30 10 IKEE CCCCCCCOc1ccc2ccccc2c1C[C@H](NC(=O)OC(C)(C)C)C(=O)O 100122995 QVLZNDMJXRLGJV-NRFANRHFSA-N 429.557 5.709 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCC(C)CC2)cc1 100153448 ZNWKDDLOIYHIFO-UHFFFAOYSA-N 436.596 6.160 30 10 IKEE CCCCCCCn1c([C@H](C)NC(=O)COc2ccc(Cl)cc2)nc2ccccc21 102128809 BBDADSLKQYEVIE-SFHVURJKSA-N 427.976 5.916 30 10 IKEE CCCCCCCCCCCC[C@@H](CCCCCCC)NS(=O)(=O)c1ccccc1 103000491 AHYGKUANTWGWIJ-RUZDIDTESA-N 437.734 8.005 30 10 IKEE CCCCCCCCCCCCCC1=C([C@@H](O)[C@@H](CO)NC(=O)CCCCCCC)C1 136010833 WHXCOSOMEQMKRN-XNMGPUDCSA-N 437.709 6.586 30 10 IKEE CCCCc1nnc(S)n1/N=C\c1ccc(OCc2cc(C)ccc2C)c(OCC)c1 169911000 ROZUMJYCUOWARI-MYYYXRDXSA-N 438.597 5.386 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2ccccc2C)cc1 169926630 HIRJFNQVOMXVRG-AREMUKBSSA-N 449.506 5.940 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@H]1c1ccccn1)c1cc2ccccc2o1 169995921 SJGAIDMVEUPLOS-VWLOTQADSA-N 446.462 5.764 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2cccnc2)c1 170005305 STMXEBHMIKQZSI-JOCHJYFZSA-N 448.906 5.225 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2ccccc2)=C(N2C[C@H](C)O[C@H](C)C2)C1=O 170041299 AJHMNQJLXMQOCN-OYRHEFFESA-N 426.601 5.016 30 10 IKEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@H]1c1ccccc1F)c1ccc(Cl)cc1 170072846 YPWOXMFSHUXGMD-FQEVSTJZSA-N 447.853 5.138 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2cccs2)c1 170160317 XRBAVDZHTMQXAS-QHCPKHFHSA-N 445.540 5.424 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccncc2)ccc1OC(C)C 170206399 LWNXUBJMVSFNNH-DEOSSOPVSA-N 442.515 5.269 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@@H]1c1ccccc1 170225234 CCNHQNMAHKXOKJ-XMMPIXPASA-N 427.500 5.403 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1ccccc1 170228718 JDLAVWSTCBFDMV-HSZRJFAPSA-N 427.500 5.403 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 170235224 NWRYOUGSPJOHOU-HSZRJFAPSA-N 447.918 5.912 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)o1 170305219 FEOLMDHPMBUMRM-HSZRJFAPSA-N 442.471 5.030 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2cccc(OC(C)C)c2)cc1C 170348653 VDCKGZDJSCDRFD-HSZRJFAPSA-N 431.488 5.467 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)c(Cl)c1)c1ccccc1 170422653 PUVSLAGSJKRMJY-FQEVSTJZSA-N 439.298 5.167 30 10 IKEE CCOc1cc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cccc3ccccc23)ccc1O 170464733 UZTCCJZSAJBGEZ-QHCPKHFHSA-N 445.515 5.459 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 170466678 GDNVHOYATBJLOE-DEOSSOPVSA-N 435.564 5.898 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1cccc(C(=O)OC)c1O 170507534 KREOTOSOSBFEGM-UHFFFAOYSA-N 433.633 7.379 30 10 IKEE O=C(/C=C\c1cccc([N+](=O)[O-])c1)c1ccc(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)cc1 207017149 XWHZJYRQVLXHNM-PVRNWPCDSA-N 428.400 5.295 30 10 IKEE COc1cc(/C=N/N=C(C(=O)c2ccccc2)c2ccccc2)ccc1OCc1ccccc1 245284665 SZXSHNPTJPJYAG-LNEHMKDVSA-N 448.522 5.980 30 10 IKEE C=CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cc(Cl)ccc1C 252628282 SMPFGNYZGGTKIK-FQEVSTJZSA-N 441.984 5.412 30 10 IKEE COc1cccc(CON=C(C)c2cc(-c3ccccc3)n(-c3ccc(F)cc3)c2C)c1 254814336 JMZKNSPDSZCKBS-UHFFFAOYSA-N 428.507 6.541 30 10 IKEE C[C@H]1[C@@H](OC(=O)c2cccs2)C[C@H](N(C=O)C2CCCCC2)C[C@H]1C#CC(C)(C)C 409421808 FQCBDXRDFJWTSI-CZAYHTPWSA-N 429.626 5.529 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(N(C)C)cc2)c1 526490834 ZWPLXMWKOCVEBM-RUZDIDTESA-N 439.515 5.080 30 10 IKEE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccc(Cl)c2)c1 526522641 RUQUPSBCUNHCTJ-HSZRJFAPSA-N 446.890 5.286 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3ccc(Cl)c(Cl)c3)[C@@H]2c2cccc(F)c2)c1 526523145 USUSSIICULZERZ-NRFANRHFSA-N 439.273 6.061 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccc(Cl)c2)c1OC 526606307 DEMYYVLSACQYLM-JOCHJYFZSA-N 446.890 5.286 30 10 IKEE CC(C)Oc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Cl)cc2)c1 526709612 HTVLKTMYVVYYFO-HSZRJFAPSA-N 447.918 5.910 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2cccc(F)c2)cc1 526805090 GLVRRAKKHDQHCJ-PKAZHMFMSA-N 430.552 5.685 30 10 IKEE CCCOc1cccc(/C=N\n2c(CCC)nnc2SCc2ccccc2Cl)c1 526816934 QHUVNDKIJKBTGB-IWIPYMOSSA-N 428.989 5.847 30 10 IKEE CCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1ccc(OC(C)C)c(OC)c1 526818389 GVSACJZAFHQCAU-QFEZKATASA-N 438.597 5.428 30 10 IKEE CSc1nc(O)c(C(=O)NCc2cccc(Oc3ccc4ccccc4c3)c2)cc1C#N 553058284 PPCAWQDTRLKWPF-UHFFFAOYSA-N 441.512 5.256 30 10 IKEE CCC[C@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Br)c2)CC1 698496826 KKLTUZTXCGWOKT-JTSKRJEESA-N 435.406 6.833 30 10 IKEE C[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)CCN1C(=O)OC(C)(C)C 698886888 FYXIOFJITGSWCJ-MWTRTKDXSA-N 433.524 5.249 30 10 IKEE C[C@@H]1c2ccccc2C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 698963261 HOCVZCGGTKOYED-QRQCRPRQSA-N 427.342 5.813 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCc2cc(F)ccc21 710800609 MOQTVAJMBPHZNF-OAQYLSRUSA-N 431.305 5.695 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H](CS)C1 1614619706 YEYAPGAMCNUTDX-BXUZGUMPSA-N 429.426 5.605 30 10 IKEE O=C(C[C@H]1SC(=NN=Cc2c3ccccc3cc3ccccc23)NC1=O)c1ccccc1 1772723193 VMGNTEMQXNYTJR-XMMPIXPASA-N 437.524 5.188 30 10 IKEE O=C1/C(=C\c2ccc(Br)cc2)SC(=Nc2nccs2)N1c1ccccc1 1772734963 OWIHDBLFCYHMGK-KBQFJHCTSA-N 442.363 5.714 30 10 IKEE O=C1/C(=C/c2ccccc2Cl)SC(=Nc2cccnc2Cl)N1c1ccccc1 1772736159 XEUXPQDDJWWZDM-LCQIMXFNSA-N 426.328 6.197 30 10 IKEE N#Cc1c(NC(=O)Cc2ccc3oc(-c4ccc(Cl)cc4)nc3c2)oc2c1CCCC2 1859489704 DIZKGFSGCSTAEG-UHFFFAOYSA-N 431.879 5.673 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC(C)C)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 1861128493 WQBNIXDBTIKMMZ-AKXFXYSNSA-N 445.604 5.396 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)/C=C/c1ccc(Cl)c(Cl)c1 1861571534 XMTIEOONCJSOBB-AXDNMFEOSA-N 441.443 6.158 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)[C@H](C)Oc1ccc(C(C)C)cc1 1861677254 KCUGURYHSHGJNE-XUZZJYLKSA-N 432.649 5.729 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc2cc[nH]c2c1 1862380813 LUIVOOLRNJEUNN-LJQANCHMSA-N 429.303 5.461 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(O)cc1 1862430123 CLKBAJODNBYPGJ-YFZFPPMRSA-N 425.912 5.203 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CC2)cc1 1862438592 CMNYNFCILDYJQB-OAQYLSRUSA-N 425.912 5.260 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccccc2)c1 1862486968 OWXVPMSMARCUCO-HSZRJFAPSA-N 431.919 5.735 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc2c(c1)CCCN2C 1862498977 VMOUFUUGFUJCIS-KOSHJBKYSA-N 432.564 5.063 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2cccc3ccccc23)cc1 1862518125 CMJXQPFHKDQMPB-XMMPIXPASA-N 427.500 5.369 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2C2CC2)cc1OC 1862541352 JYTMGYOFKHRIQW-DEOSSOPVSA-N 449.547 5.177 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1cccc(Cl)c1 1862592090 VFIJLRWDNBOPEY-IVZQSRNASA-N 433.891 5.385 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1c(F)cccc1Cl 1862593412 SXUXJIDTLJOJBZ-FQEVSTJZSA-N 431.891 5.343 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccc(Cl)cc2Cl)cc1 1862624322 WGCLTPNYBKIRNM-FQEVSTJZSA-N 444.358 6.032 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cccc(C)c1 1862625606 KPPYIKMRFBCRQN-RDPSFJRHSA-N 449.547 5.661 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2cccc(F)c2)cc1F 1862637276 DVGRMYNVXYTFJM-CMJOXMDJSA-N 449.453 5.313 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(F)cc2F)cc1 1862675752 SQMJGRRJGPFOOZ-JOCHJYFZSA-N 437.417 5.191 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CC(C)C)cc1 1862684382 VIRCSMKYEKADNB-HSZRJFAPSA-N 439.527 5.629 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862724884 WMTVMHPBWQDOOB-AFMDSPMNSA-N 439.555 6.293 30 10 IKEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccccc1Cl 1862725587 MNCRHFGQJGAWJL-QHCPKHFHSA-N 447.918 5.232 30 10 IKEE CCOc1ccc(C2=C(Nc3ccc(Cl)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862834465 PJKRUGLTYOSLIP-UHFFFAOYSA-N 443.890 5.007 30 10 IKEE Cc1ccc(NC2=C(c3cccc4ccccc34)C(=O)N(c3cccc(C#N)c3)C2=O)c(C)c1 1862849913 FQGLGFKOEPEADI-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc4ccccc4c3)C2=O)c1 1863024911 MPOFYPAAVURYPQ-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(OCC(C)C)cc2)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863281544 KDZPIKAROPWTIN-UHFFFAOYSA-N 445.346 5.406 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCCCO)=C(c2ccccc2Cl)C1=O 1863777592 JRMONEZIPCMTEI-UHFFFAOYSA-N 449.035 5.313 30 10 IKEE CC[C@@](C)(NC(=O)C[C@@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1ccc(C#N)cc1 1866783780 RTBMGVWKODEECG-RPLLCQBOSA-N 443.522 5.143 30 10 IKEE COc1ccc(OC2CCN(c3cc(Nc4ccc(C#N)cc4)nc(C(C)C)n3)CC2)cc1 1868242439 NVYXAOWRTNPYRY-UHFFFAOYSA-N 443.551 5.272 30 10 IKEE CCCc1nc(Nc2ccccc2C#N)cc(N2C[C@@H](CC)Cc3cc(OC)ccc32)n1 1868399099 ZULNHLGRZCGTRC-SFHVURJKSA-N 427.552 5.773 30 10 IKEE CN(CC(C)(C)C)c1cc(Nc2cccc(C#N)c2)nc(-c2ccc(C(C)(C)C)cc2)n1 1868537670 DCRAJSZRAAHYJH-UHFFFAOYSA-N 427.596 6.539 30 10 IKEE Cc1ccccc1OCCCC(=O)Nc1c(C#N)nnn1-c1cc(C(C)C)cc(C(C)C)c1 1870144689 HKEGMFMFQMAFBW-UHFFFAOYSA-N 445.567 5.492 30 10 IKEE C=CCn1cc(OCc2ccc(C(C)C)cc2)c(=O)cc1CN(CC)CCc1ccncc1 1870470360 MOLQUCFULGVBFQ-UHFFFAOYSA-N 445.607 5.196 30 10 IKEE CCCCCCCCCCn1cc(OCC2CCCCC2)c(=O)cc1CN1CCOCC1 1870484799 SKHMUYFUFLKVMD-UHFFFAOYSA-N 446.676 5.780 30 10 IKEE C=CCOc1cn(CCCCN(CC)CC)c(CNc2cccc(Cl)c2C)cc1=O 1870812959 QBPHYTMOELRNCN-UHFFFAOYSA-N 432.008 5.109 30 10 IKEE CCCCCCCOc1cn(CCN(C)C)c(CNc2ccc(F)c(Cl)c2)cc1=O 1870838043 LKQURVVPDUQEJV-UHFFFAOYSA-N 437.987 5.164 30 10 IKEE C#CCOc1cn(Cc2ccccn2)c(CNc2cc(C(C)C)cc(C(C)C)c2)cc1=O 1871007866 WNTHDFPEOHCFPL-UHFFFAOYSA-N 429.564 5.163 30 10 IKEE C=CCn1cc(OCc2cccc(F)c2)c(=O)cc1CNc1ccc(OCCCC)cc1 1871063114 XNFIDHHAVIVNFN-UHFFFAOYSA-N 436.527 5.543 30 10 IKEE CCCCCCCCCCn1cc(OCCCC)c(=O)cc1CNc1cccc(F)c1 1871112532 IDLDPOZYWTVMAC-UHFFFAOYSA-N 430.608 6.919 30 10 IKEE C=CCn1cc(OCCCCOc2cccc(C)c2)c(=O)cc1CNc1cccc(C)c1C 1871220957 GNXZJAQJRAETMH-UHFFFAOYSA-N 446.591 5.810 30 10 IKEE Cc1c(OC(=O)/C=C/c2ccc(C(C)C)cc2)ccc2c1O/C(=C\c1cccs1)C2=O 1871379602 GIGQAOBYEHQPCK-DIBFYORYSA-N 430.525 6.415 30 10 IKEE O=C1/C(=C/c2ccccc2OC(F)F)Oc2c1ccc(O)c2CN1CCc2ccccc2C1 1871394566 DWWKGRJRUHMBOI-QRVIBDJDSA-N 449.453 5.168 30 10 IKEE Cc1cc(OCCc2ccccc2)cc2c1C(=O)/C(=C/c1cccc(Br)c1)O2 1871400026 BPJWLGHGYYZQRS-HMAPJEAMSA-N 435.317 5.995 30 10 IKEE Cc1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2cccc(F)c2)C3=O)c1C 1871413444 GWWPICKALYKPPN-YNJLWJOVSA-N 445.490 5.773 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O 1871440429 OPEKMSONJAKGEA-UUYOSTAYSA-N 447.918 5.899 30 10 IKEE CCOc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2)C3=O)cc1 1871452350 MAZNWUXEJKZHCQ-HAHDFKILSA-N 429.472 5.027 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccc(F)cc2)C3=O)cc1C 1871459715 YYJVWTZJFLAQJI-QRVIBDJDSA-N 431.463 5.385 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(C)cc1)[C@H](C)CC)S(=O)(=O)c1c(C)cc(C)cc1C 1871775676 GBHPHRXRIWODGW-AUSIDOKSSA-N 442.625 5.150 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1ccc(C)cc1 1872078148 HYVNBJOCUNDSJE-DEOSSOPVSA-N 442.625 5.178 30 10 IKEE COc1ccc(-c2nc3ccc(C(=O)Nc4cccc(C#N)c4)cc3[nH]2)cc1Br 1872735082 DURDKAQGAYHGMP-UHFFFAOYSA-N 447.292 5.125 30 10 IKEE COc1cccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccc(Cl)cc3)n2)c1 1872762392 LKQKITFGFGKMNV-IBGZPJMESA-N 426.925 5.508 30 10 IKEE COc1cc(OC)cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1 1872769256 NNIANCVJEHLKIJ-HNNXBMFYSA-N 433.316 5.624 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(C)cc3C)n2)cc1Cl 1872784988 BUTGMPDMZGGAJE-INIZCTEOSA-N 426.925 5.344 30 10 IKEE COc1c(Cl)cc(-c2csc([C@@H](C#N)C(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1Cl 1872785925 WWWIVGYEUIZDRA-ZDUSSCGKSA-N 448.287 5.524 30 10 IKEE CCOc1ccc(CCC(=O)[C@@H](C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc1OC 1872786511 MBPAMKIJSAVKSE-HXUWFJFHSA-N 448.588 5.952 30 10 IKEE N#C[C@H](C(=O)c1c(Cl)ccc(Cl)c1Cl)c1nc(-c2ccc(Cl)s2)cs1 1872789438 JCFWILMDLMKYCK-SSDOTTSWSA-N 448.183 6.975 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc(COc2c(C)cccc2C(C)(C)C)cc1 1872857644 APGNOIFFCGPTQV-UHFFFAOYSA-N 437.668 7.742 30 10 IKEE CCCCCCCCNC1=C(c2ccc(Cl)cc2)C(=O)N([C@@H](CC)CCCCC)C1=O 1873138224 ICVDUIDKSZPSEX-QFIPXVFZSA-N 447.063 6.729 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc([N+](=O)[O-])cc2)=C(c2ccccc2F)C1=O 1873189159 PTMMKGHSGXPTAB-UHFFFAOYSA-N 439.487 5.286 30 10 IKEE Cc1cc2oc(=O)c(CC(=O)Nc3ccccc3C#N)c(C)c2c2occ(-c3ccccc3)c12 1873868668 MDNRSNVJEROFFK-UHFFFAOYSA-N 448.478 5.876 30 10 IKEE Cc1ccccc1CSc1nnc(COc2c(C)cccc2C)n1/N=C/c1ccco1 1874297451 CLOPFKXJOFUUNR-AFUMVMLFSA-N 432.549 5.550 30 10 IKEE CCSc1nnc(CC2CCCCC2)n1/N=C/c1cc(Br)ccc1F 1874407280 OIDLEPOFAOUOSE-CIAFOILYSA-N 425.371 5.297 30 10 IKEE Cc1ccccc1/C=N/n1c(Cc2ccccc2)nnc1SCc1ccccc1Cl 1874418335 KQXKLEXPTZNAAF-WGOQTCKBSA-N 432.980 6.005 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCCc3ccccc3)nnc2-c2cccs2)c1 1874422737 BIMCOMYDYAODGA-XIEYBQDHSA-N 448.617 6.012 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccccc2)n1/N=C/c1ccc(N(C)C)cc1 1874425789 AJFVFCBVCIFMEF-YZSQISJMSA-N 427.577 5.494 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2cccc(F)c2)nnc1-c1ccccc1 1874426977 KWXULKNJJBIPAS-WPWMEQJKSA-N 446.551 6.048 30 10 IKEE COc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCCc2ccccc2)cc1OC 1874439714 ORHGVEYXPFCRCF-KOEQRZSOSA-N 438.597 5.101 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1/N=C/c1ccc(CC)cc1 1874478023 PFOMKXCCHPZDCP-WGOQTCKBSA-N 449.624 5.413 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(C(C)(C)C)n2/N=C/c2ccccc2Cl)o1 1874481538 ARGYOKWYPUMDSC-FSJBWODESA-N 446.960 5.173 30 10 IKEE CC(C)Cc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(Cl)cc1 1874491986 SKBWJNVKPLIIEG-BHGWPJFGSA-N 437.371 6.097 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C(C)C)c1 1874513519 CAHBAIJLSXXXOQ-ZVHZXABRSA-N 428.989 6.018 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2ccc(F)cc2)cc1 1874572625 XJNXWXORYNAWAZ-LFIBNONCSA-N 433.479 5.310 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccccc2Cl)c1OCC(=O)N[C@@H](C)c1ccccc1 1874574848 IXERRXKYRBNORG-ZPICJPFVSA-N 449.934 5.501 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)N[C@@H](C)c2ccccc2)c(C)c1 1874579105 WZCGNCBKUIDRJL-YPNIWSFNSA-N 447.962 6.109 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c1 1874581777 FZTZYQSNLHAHKE-SAPNQHFASA-N 441.571 6.515 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1cc(Cl)ccc1OCc1ccc(F)cc1 1874588772 DEARPCRGVDAUFT-WEVVVXLNSA-N 445.317 6.925 30 10 IKEE C=C(C)COc1ccc(Br)cc1/C=C/C(=O)c1cc(Cl)cc(C)c1OC 1874589197 YINDEOTUETXZDS-FNORWQNLSA-N 435.745 6.271 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c([N+](=O)[O-])c2)cc1 1874605402 YJEXQJZUIZJENT-NTUHNPAUSA-N 432.432 5.541 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OCC(=O)N[C@@H](C)c1ccccc1 1874608528 SPIQZFWZICDGBY-SZEUEKNRSA-N 449.934 5.501 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OCC(=O)NC1CCCCC1 1874614619 VLKISPRWJLSBIV-NTUHNPAUSA-N 427.928 5.072 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccc(Cl)c(Cl)c1 1874615614 HHZWZNPDQQGAIA-XNTDXEJSSA-N 433.334 7.622 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Cl)c1OCc1ccccc1Cl 1874618740 QQSXJCXJWKHECV-JXMROGBWSA-N 445.317 6.925 30 10 IKEE CCCOC(=O)COc1c(OC)cc(/C=C/C(=O)c2cccc3ccccc23)cc1OC 1874623531 HRLSQYMQKSONGF-OUKQBFOZSA-N 434.488 5.085 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCCc3ccccc3)c([N+](=O)[O-])c2)c(C)c1C 1874626657 PTKTXTKMFNYGPM-FMIVXFBMSA-N 431.488 5.738 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)COc3ccc(OC)cc3)c2)cc1 1874694805 UZMPGCMGBYWMDW-VIZOYTHASA-N 446.499 5.147 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cc(Cl)ccc3Cl)c2)cc1 1874701537 XWUBDHYWKTXORG-AWNIVKPZSA-N 441.310 6.507 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)[C@@H](C)c3ccccc3)c2)cc1C(C)C 1874710735 IMGNKLVBEHPBQS-JLVIMGNISA-N 442.555 6.732 30 10 IKEE COc1cc(C(=O)/C=C/c2ccc(OC)c(OC(=O)C(C)(C)C)c2)c(OC)cc1Cl 1874711476 BPNITVOJINAAPD-VQHVLOKHSA-N 432.900 5.213 30 10 IKEE O=C(/C=C/c1cc(Br)c(O)c(Br)c1)c1ccc2c(c1)CCCC2 1874717475 WUXTUYQKDSJDDR-VMPITWQZSA-N 436.143 5.692 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2OC)cc(OC)c1OC(=O)Cc1ccccc1 1875119796 NBXFGBZJTCUYRW-FOCLMDBBSA-N 442.511 5.477 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)c(Cl)c1)c1cccc(Cl)c1 1875121267 IBJGLAOBTFJTKW-VQHVLOKHSA-N 442.254 6.017 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3cccc(Cl)c3)cc2)cc1 1875123698 ZNAXDULQNBHSMO-LFIBNONCSA-N 434.919 6.309 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)c1cc(C)cc(C)c1 1875133754 JIADHHJMQYHIKR-DHZHZOJOSA-N 428.528 6.434 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2OC)cc1 1875136333 JQVQQGOUJFKSCZ-OQLLNIDSSA-N 430.500 5.447 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC(=O)Cc1ccc(C)c(C)c1 1875144643 YKFNBFQELWELGJ-PKNBQFBNSA-N 444.527 5.673 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC(C)(C)C)c(Br)c2)cc1F 1875153267 YMPQKCMOTMNTIJ-VMPITWQZSA-N 449.316 5.835 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3)c([N+](=O)[O-])c2)cc1 1875155752 SCXKFKHZQFISLY-RIYZIHGNSA-N 429.472 5.762 30 10 IKEE N#CC1(c2ccccc2)CCN(S(=O)(=O)c2ccc(-c3cccc(Cl)c3)cc2)CC1 1891675825 YYILRYPXEVPUIQ-UHFFFAOYSA-N 436.964 5.253 30 10 IKEE Cc1cc(Br)c(F)c([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)c1 1927528961 RVBUZJDHCNFKGN-KRWDZBQOSA-N 425.342 6.031 30 10 IKEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@@H](C#N)c1c(Cl)cccc1Br 1946073913 NNUOTJYXIZUWMW-NSHDSACASA-N 427.648 5.467 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1CC(F)(F)CCN1C(=O)OC(C)(C)C 1948813938 GSJXECXTRNSXPS-LEWJYISDSA-N 438.559 5.162 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@@](C)(C#N)[C@@]1(C)CCN1C(=O)OC(C)(C)C 1999898208 SLTVJYDUCLLWIG-PKTZIBPZSA-N 433.524 5.249 30 10 IKEE C=C(COCc1ccccc1)[C@H](CCC1CCC(NC(=O)OC(C)(C)C)CC1)NCC 2025176520 KTJICMVILZMHAF-HQNXYIODSA-N 430.633 5.601 30 10 IKEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(C)c1 2032559858 BBPSWPKVFIUSHN-CLOONOSVSA-N 443.588 5.666 30 10 IKEE CC(C)N[C@@]1(C#N)CCC[C@@H]1CCN(CCN(C)Cc1ccccc1)Cc1ccccc1 2034739704 PADGUUMVLZASHN-VSGBNLITSA-N 432.656 5.071 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)CC12CCCCC2 2037749145 NIMCYCWFOKVEDM-QFIPXVFZSA-N 448.568 5.140 30 10 IKEE CCc1ccc([C@H](C2CC2)n2nc(C3CCC3)c(C#N)c2I)cc1 2079078769 NKUPZJSQFLMRTO-LJQANCHMSA-N 431.321 5.189 30 10 IKEE CCc1ccc([C@@H](n2nc(C(F)F)c(C#N)c2I)C2(C)CC2)cc1 2079137826 QQJDJEWXRUZZAJ-OAHLLOKOSA-N 441.263 5.249 30 10 IKEE O=C(O)c1c(C(F)(F)F)nn([C@H](c2ccc(C(F)(F)F)cc2F)C2CC2)c1Cl 2079970910 ZBLRTIYPJIWUPA-NSHDSACASA-N 430.707 5.411 30 10 IKEE N#C[C@@H](Nc1ccccc1Br)c1c(Br)cccc1Br 2094994845 MVQDIPKHCDYRRN-CYBMUJFWSA-N 444.952 5.651 30 10 IKEE N#Cc1ccc(N[C@H]2CN(Cc3ccccc3)CC3(CCC3)C2)c(F)c1Br 2151115651 AEILRACEXZULGN-GOSISDBHSA-N 428.349 5.317 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CC12CCC(C#N)(Nc1ccccc1Br)CC2 2158275035 AOKQBSZSCSFGTR-VUZGARFFSA-N 434.378 5.228 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](CNc2cc(Br)ccc2C#N)C(F)(F)CC1 2162285355 XFNGLIUSIWVCQZ-CQSZACIVSA-N 444.320 5.015 30 10 IKEE CC(C)(C)OC(=O)NCC[C@@H]1CCC[C@@H](Nc2cc(Br)c(C#N)cc2F)C1 2162308555 IUVSFNXIBQTBRL-DZGCQCFKSA-N 440.357 5.345 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](CCNc1ccc(C#N)cc1Br)c1ccccc1 2162417111 YIADQOISSNRGHL-SFHVURJKSA-N 430.346 5.389 30 10 IKEE CC(C)(C)OC(=O)NCCc1ccc(CNc2cc(Br)cc(C#N)c2)cc1 2162417376 BXAWORGBEBBIFN-UHFFFAOYSA-N 430.346 5.000 30 10 IKEE CC(C)N(C[C@H]1CCCN(c2ccc(C#N)c(Br)c2)C1)C(=O)OC(C)(C)C 2174814981 OHEKSDMHUMFFQU-INIZCTEOSA-N 436.394 5.183 30 10 IKEE CC1(C)C[C@@](C)(c2ccccc2)c2cccc3c2N1C(=O)/C3=N/c1ccc2oc(=O)ccc2c1 2185889443 RUJDPBBFWJJAAJ-IPWPVVRXSA-N 448.522 5.749 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(C(=O)C#Cc2ccccc2Br)ccc1Cl 2227461617 DPTPQCXPZMDLPT-UHFFFAOYSA-N 434.717 5.684 30 10 IKEE C=CC[C@@H](C)[C@@H](NCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229128322 QUEIUIDHECNXNR-AYOQOUSVSA-N 425.411 5.075 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)CCCN(C(=O)OC(C)(C)C)C(C)C 2235730443 VBZOGFPBMJTLQE-LJQANCHMSA-N 437.422 5.204 30 10 IKEE C=C1CCC(C[C@@H](O)[C@H](Cc2ccccc2Br)NC(=O)OC(C)(C)C)CC1 2237396914 SIZWAFWEYKGKFU-VQTJNVASSA-N 438.406 5.382 30 10 IKEE CN[C@@H](CC#CC1CCCCC1)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2256703777 PKDMVFQSHWVUSA-DEOSSOPVSA-N 440.628 5.002 30 10 IKEE N[C@@H](C#Cc1cccc(Br)c1)c1scc(Br)c1Br 2264116306 MKKGXXLOTNPEPN-NSHDSACASA-N 449.993 5.087 30 10 IKEE C=C(COCc1ccccc1)[C@]1(OCCN)CN(Cc2ccccc2)C2(CCCCCC2)C1 2276524728 WRHSNVVMLJKCCG-GDLZYMKVSA-N 448.651 5.472 30 10 IKEE CCN1C(=O)C(=Cc2ccc(OC)c3ccccc23)SC1=Nc1ccc(C(=O)OC)cc1 2293826909 CAQOZZZQCNHEAC-UHFFFAOYSA-N 446.528 5.259 30 10 IKEE CCN[C@@H](C#Cc1cccc(Br)c1)C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C 2296217037 PYYFJWIKPSSAIB-RBUKOAKNSA-N 437.422 5.108 30 10 IKEE CC(C)(C)OC(=O)NC1(C(=O)C#Cc2cccc(Br)c2)CC(C(C)(C)C)C1 2296218041 AAFQYNFNWHJVPN-UHFFFAOYSA-N 434.374 5.089 30 10 IKEE CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)[C@@H](O)C#Cc1cccc(Br)c1 2296225961 AOTLYMSNBHBLBH-UXHICEINSA-N 436.390 5.025 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@@H](C#N)c1cc(Cl)c(O)c(Cl)c1 2296274006 RRMZZDIZEHTJBQ-INIZCTEOSA-N 427.715 6.359 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)CC(C)(C)N(C)C(=O)OC(C)(C)C 2296303045 QQHGXNQFVHJUKZ-LJQANCHMSA-N 437.422 5.204 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)C(CC)(CC)CNC(=O)OC(C)(C)C 2296310387 JBYZRKIZXMQTNY-LJQANCHMSA-N 437.422 5.110 30 10 IKEE O=C1C(=Cc2ccc3c(c2)OCO3)Oc2cc(OCc3c(Cl)cccc3Cl)ccc21 2296871163 AAYATBYIDSOIQZ-UHFFFAOYSA-N 441.266 5.917 30 10 IKEE N#Cc1ccc(N2C(=S)C3(CCCCC3)[C@@H](N3CCCCC3)C2=NC2CCCCC2)cc1 2297382627 SMXIDLKERQIBJL-DEOSSOPVSA-N 448.680 6.242 30 10 IKEE Cc1ccc(-c2nc3c(C)cccc3o2)cc1N=Cc1c(O)ccc2c([N+](=O)[O-])cccc12 2297708399 CXGPYCOSRNAIBI-UHFFFAOYSA-N 437.455 6.629 30 10 IKEE CCC(CC)(CS)COc1cc(Br)cc(I)c1 2301014695 GOKRYNDDIFXWBY-UHFFFAOYSA-N 429.161 5.169 30 10 IKEE C=CCN1C(=O)C(=C(C)c2ccc(C)c(C)c2)SC1=Nc1nc(-c2ccccc2)cs1 2314544386 ZWUIAMGQVAVJDA-UHFFFAOYSA-N 445.613 6.607 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](N)c2cc(Cl)cc(Br)c2F)C1 2315452571 DKFNFJPEAIMTQQ-OAHLLOKOSA-N 433.749 5.103 30 10 IKEE Cc1cc(OCC=Cc2ccccc2)cc2c1C(=O)C(=Cc1ccc(-c3ccccc3)cc1)O2 2321817805 OOGOWKIAQVNNAA-UHFFFAOYSA-N 444.530 7.370 30 10 IKEE CCCCCCCCCOc1ccc(C=Nn2c(S)nnc2COC)cc1OCC 2321898843 AJIPWNJZHRLAPZ-UHFFFAOYSA-N 434.606 5.124 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=CC=Cc1ccccc1)O3)CN(Cc1ccccc1F)CO2 2322057023 ONTYMSBURSNKEG-UHFFFAOYSA-N 427.475 5.659 30 10 IKEE CC[C@H](C)N1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(-c2ccccc2)cc1)C3=O 2322092145 BQTOMNXOUMREPD-IBGZPJMESA-N 425.528 6.229 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1C 2322414964 AGMQCCXRSKPRGM-UHFFFAOYSA-N 442.942 7.285 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Br)ccc2OCc2ccccc2)cc1 2322549572 ABTNWISSHVDULH-UHFFFAOYSA-N 437.333 6.323 30 10 IKEE CCN(CC)C(=O)COc1c(C=CC(=O)c2cc(C)ccc2C)cc(Cl)cc1OC 2322617396 QVIFNJLTNYBHHS-UHFFFAOYSA-N 429.944 5.109 30 10 IKEE Cc1cc(OC(=O)c2cccc(Br)c2)cc2c1C(=O)C(=Cc1ccco1)O2 2322930467 PMVUGAPETOQLGI-UHFFFAOYSA-N 425.234 5.186 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2cccc(C)c2)cc1Cl 2322974858 WWNLMPMBKFHGEU-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)C=Cc1cccc(Cl)c1 2323135245 AHJXXOVEUQDAKH-QHCPKHFHSA-N 435.052 6.285 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OCC(=O)N[C@@H](C)c1ccccc1 2323157725 ICSFZZLGLDHCBG-NRFANRHFSA-N 443.543 5.464 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O)c1ccc(Cl)c(Cl)c1 2323259036 VUGUXRRASATFQN-UHFFFAOYSA-N 445.685 6.482 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(ccc(OC(=O)c4cccc(F)c4)c3C)C2=O)cc1 2323301532 FNXFCSSTKLUMEL-UHFFFAOYSA-N 445.490 5.816 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OC(=O)c4cccc5ccccc45)ccc3C2=O)cc1 2323472499 DTWQRDCNXHBULA-UHFFFAOYSA-N 436.463 6.074 30 10 IKEE O=C1C(=Cc2cccc(Cl)c2)Oc2cc(OC(=O)c3cccc4ccccc34)ccc21 2323476544 STMHVOXNHOGQFO-UHFFFAOYSA-N 426.855 6.329 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OC(=O)C=Cc4cccs4)c3C)C2=O)c1OC 2323524353 HDJYBIQVJQDEEN-UHFFFAOYSA-N 448.496 5.309 30 10 IKEE CCOc1cc(C=Nn2c(S)nnc2-c2ccco2)ccc1OCc1cc(C)ccc1C 2323538834 OCTMNJIIEMKUNE-UHFFFAOYSA-N 448.548 5.304 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)OCC(C)C)c(Br)c2)c(C)c1 2323854752 WPRPXEMRBJQJGL-UHFFFAOYSA-N 445.353 5.540 30 10 IKEE CCOc1ccc(C=NNc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1OCC 2323865966 ZUAMBPLOCRLNAF-UHFFFAOYSA-N 427.526 5.071 30 10 IKEE C=C(C)COc1c(Br)cc(C=CC(=O)c2ccc3c(c2)OCO3)cc1OCC 2324097744 HHHIAEXHHFFMCZ-UHFFFAOYSA-N 445.309 5.428 30 10 IKEE COC(=O)COc1c(Cl)cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc1OC 2324219875 JHDWQTILCMEVKD-UHFFFAOYSA-N 446.927 5.103 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2cccs2)C3=O)cc1 2324451961 ZFZWKUKGJYPBRG-HNNXBMFYSA-N 435.501 5.087 30 10 IKEE Cc1cccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4cc(C)ccc4C)cc(C)c3C2=O)c1 2324456139 CCKLQPOSFHJBGT-FQEVSTJZSA-N 441.527 5.942 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OCC(=O)Nc2nccs2)cc1 2324570982 DKQIJHCSASGJEE-UHFFFAOYSA-N 434.561 5.663 30 10 IKEE COc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)c(OC)c1 2324706237 DMEKSKNVIYYIGZ-HXUWFJFHSA-N 448.544 5.342 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc(OCCC(=O)Nc3ccccc3)c2C)C1=O 2325486007 WYKJJUZUNDJVTL-UHFFFAOYSA-N 443.499 5.418 30 10 IKEE Cc1cc(OCC(=O)Nc2ccccc2Cl)cc2c1C(=O)C(=Cc1cccs1)O2 2325718080 XNZYLRRSKHUBQY-UHFFFAOYSA-N 425.893 5.344 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OC(=O)CCc1ccccc1C 2325735577 DIRCXCOXUASGSY-UHFFFAOYSA-N 428.528 6.055 30 10 IKEE Cc1cccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)c1C 2325738034 XQQNJPWXEUEWPT-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE COc1ccccc1CCC(=O)Oc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC 2325741491 PBSLAQNEVXUQSC-UHFFFAOYSA-N 448.490 5.586 30 10 IKEE CCc1ccc(CCC(=O)Oc2cccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)c2)cc1 2325756910 FTGIIOUNISNCFM-UHFFFAOYSA-N 440.583 6.917 30 10 IKEE COc1cc(C(=O)C=Cc2cccc(OC(=O)c3ccc(F)cc3)c2)c(OC)cc1Cl 2325758905 UTHZDIRZBRADCE-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE CCOc1ccc(C=Nn2c(C)nnc2SCc2ccc(Cl)cc2)c(OCC)c1 2326350286 RQDRDCSQARJABU-UHFFFAOYSA-N 430.961 5.212 30 10 IKEE CCCOc1cc(C=Nn2c(CC)nnc2SCc2ccc(Cl)cc2)ccc1OC 2326356917 PTIGSXDDDWCZSC-UHFFFAOYSA-N 444.988 5.466 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccc(Cl)cc2)c(C)c1 2326461279 VLKCXOCEGITAFB-UHFFFAOYSA-N 447.007 6.314 30 10 IKEE COc1cccc(CCc2nnc(SCCc3ccccc3)n2N=Cc2ccccc2)c1 2328648582 JYVFXDIIKHHFJK-UHFFFAOYSA-N 442.588 5.289 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccco2)c(C)c1 2328880768 RKCMUHHPRCFTML-UHFFFAOYSA-N 436.512 5.381 30 10 IKEE C=CCSc1nnc(COc2ccc(C)cc2C)n1N=Cc1ccc(OCCC)cc1 2328919041 WKYKIRABGWNCNX-UHFFFAOYSA-N 436.581 5.423 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccccc2C)cc1 2329246958 LASWHTFWDXRTPI-UHFFFAOYSA-N 446.551 5.500 30 10 IKEE Cc1ccccc1CCc1nnc(SCCCO)n1N=Cc1c(Cl)cccc1Cl 2329509995 PDDOIUYZLNUIFW-UHFFFAOYSA-N 449.407 5.035 30 10 IKEE Oc1ccc(C=Nn2c(SCc3ccccc3)nnc2-c2ccccc2Cl)c(O)c1 2329573010 RTOSADIEKHVMDK-UHFFFAOYSA-N 436.924 5.184 30 10 IKEE Fc1ccc(CSc2nnc(Cc3ccccc3F)n2N=Cc2cccc(F)c2)cc1 2329710933 AWVCUYLGVORTKF-UHFFFAOYSA-N 438.478 5.461 30 10 IKEE Cc1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCc2cccc(F)c2)cc1 2329823419 JJTYBZXMUZWWPH-UHFFFAOYSA-N 434.515 5.630 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(C)c3)n2N=Cc2ccc(Cl)cc2)cc1 2329947366 QLLHSJADQGZRAY-UHFFFAOYSA-N 447.007 6.314 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3Cl)n2N=Cc2ccccc2C)cc1 2329999802 SBQXCVDQYRPNAN-UHFFFAOYSA-N 447.007 6.314 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc(Cl)c1OC(=O)C(C)C 2330603887 OXOCJKQQKNVLTR-UHFFFAOYSA-N 448.946 6.863 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)cc2)cc1 2330742186 BCLCSOSLUMRTSD-BJKOFHAPSA-N 430.931 6.508 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3ccc(C)cc3)cc2)c1 2330777106 VQYQOOKVLRTSRF-UHFFFAOYSA-N 430.500 5.664 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CC(C)(C)C)c(Br)c2)cc1C 2330862893 IPNAJGPLCWCZKT-UHFFFAOYSA-N 445.353 6.004 30 10 IKEE O=[N+]([O-])c1ccccc1C=Nn1c(SCc2ccc(F)cc2)nnc1C1CCCC1 2331031053 RNHDOFPDAPMQKL-UHFFFAOYSA-N 425.489 5.158 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2331180296 SZYUZOIZACSGLY-UHFFFAOYSA-N 441.310 6.507 30 10 IKEE CCSc1nnc(-c2ccco2)n1N=Cc1ccc(N(CC)Cc2ccccc2)cc1 2331193325 ZDPRWPMIXXWUNS-UHFFFAOYSA-N 431.565 5.559 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)COc1ccccc1CC 2331281909 GEZVCFSXOCKSQI-UHFFFAOYSA-N 444.527 5.837 30 10 IKEE O=C(CCCOc1ccccc1)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1 2331432679 QYVGQSUIINPHDB-UHFFFAOYSA-N 430.456 5.076 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)C(C)C)c([N+](=O)[O-])c1 2331549150 KTIYPYUBEJDIHT-UHFFFAOYSA-N 425.481 5.358 30 10 IKEE COc1cc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3)cc2)c(OC)cc1Cl 2331687283 IPNQTYSXLBRPFN-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1c(F)cccc1Cl 2331715459 RMPFCPOPLKCYJQ-UHFFFAOYSA-N 438.882 6.220 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3ccccc3)cc2)c(OC)c1 2331717142 VYVJSEVYXCUUEW-UHFFFAOYSA-N 446.499 5.365 30 10 IKEE C=CCc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)CC(C)(C)C 2331780131 JKYSIGFRGDFQDE-UHFFFAOYSA-N 434.576 6.587 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3cnc(C)cn3)c(Cl)c2)cc1C 2331841040 BAVVVVCSBQLEHB-UHFFFAOYSA-N 436.895 5.179 30 10 IKEE CN(c1ccc(C#N)c(Br)c1F)[C@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]12 2357062215 UOSRQHXPZFHSMK-DMUMMCEESA-N 429.333 5.280 30 10 IKEE CC1(C)OB(/C=C/c2ccc(Nc3ccc(Cl)cc3Br)nc2)OC1(C)C 2365062252 HMQNRMDJYPJOFM-MDZDMXLPSA-N 435.558 5.886 30 10 IKEE CO[C@H](C#C[C@@H](N)c1ccc(Br)cc1NC(=O)OC(C)(C)C)C1CCCC1 2369594471 RJTZIUHATYEMQZ-IEBWSBKVSA-N 437.378 5.005 30 10 IKEE C=CCn1c(S[C@@H](C)C(=O)O[C@H](C)CC)nc2scc(-c3ccc(C)cc3)c2c1=O 8950559 HTUMQLXJGJFRMC-CVEARBPZSA-N 442.606 5.442 30 10 IKEE COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(F)c2)c1 20882359 DIOOIORMVVJZGJ-CRYYWNKWSA-N 444.506 5.822 30 10 IKEE CCc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(O)c(OC)c2)cc1 21220761 FGARUZBWIJEVFU-WTYVLRPYSA-N 440.543 5.943 30 10 IKEE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cccc3ccccc13)C/C2=N\OC(=O)c1ccccc1 33960412 DJJCCELWLYHBCA-ZOOQRMHISA-N 440.543 6.208 30 10 IKEE C=CCN1C(=O)c2[nH]nc(-c3cc(Cl)c(C)cc3O)c2[C@@H]1c1cccc(OCCC)c1 39914545 QSEGIDXWUWVJNP-QHCPKHFHSA-N 437.927 5.264 30 10 IKEE Cc1cc(/C=C2\S/C(=N\c3ccccc3)NC2=O)c(C)n1-c1cccc(C(F)(F)F)c1 59137494 QWTKLODKOZKYOK-NDENLUEZSA-N 441.478 6.005 30 10 IKEE CCCCCCCCCCOc1ccc(C2=N/C(=C\c3cccc(Cl)c3)C(=O)O2)cc1 97997727 MBXRTUSGIPSVCA-CLCOLTQESA-N 439.983 7.204 30 10 IKEE N#Cc1c(-c2c(Cl)cccc2Cl)noc1/C=C\Nc1cc(Cl)cc(Cl)c1 100394992 ACOZVZSUNBNUCP-PLNGDYQASA-N 425.102 6.910 30 10 IKEE CN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)S/C1=N/c1ccccn1 101123855 RJAHTZUXOUGMFO-URWIEHKQSA-N 435.936 5.548 30 10 IKEE C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C/c1cccc(Cl)c1Cl)C2=O 118919571 YGBQOUNQDOEMKJ-UYGGEKGSSA-N 445.430 6.880 30 10 IKEE N#Cc1ccc(Br)cc1Nc1cc(Br)ccc1Br 123156845 FMCXBQOPPWPKJZ-UHFFFAOYSA-N 430.925 5.589 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccc(C)c(C)c2)c1 169932554 UFYQPTZMWVEODG-VWLOTQADSA-N 441.527 5.712 30 10 IKEE CCCOc1c(OC)cc(/C=N\Nc2nc(-c3ccc(C)cc3C)cs2)cc1[N+](=O)[O-] 169941260 SPGJIPPINHHOFN-FMCGGJTJSA-N 440.525 5.579 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccc(O)cc2)c(C)c1 169962959 NXKZSQFBWQNUKJ-JOCHJYFZSA-N 433.891 5.445 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1cccs1)c1cccc2ccccc12 169988251 DQNFFRLGEVVORE-QFIPXVFZSA-N 447.462 5.962 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2C2CCCCC2)cc1 170031846 DTIMHNXEQZXJIW-QHCPKHFHSA-N 435.520 5.005 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccc(C)cc2)c1 170036901 NTLUBKYQZHIWHZ-XMMPIXPASA-N 445.490 5.624 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccc(F)cc2)c1 170062405 YBBJLHDALKHIGQ-DEOSSOPVSA-N 429.491 5.842 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2cccc(O)c2)ccc1F 170079482 BMRWVXOSFWOEMY-XMMPIXPASA-N 445.490 5.746 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2cccc(O)c2)c1 170080627 AIHLJNYVSMBLSK-XMMPIXPASA-N 427.500 5.409 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@H]2c2ccc(C)o2)c1 170101820 YESZPHIJZZNBOI-NRFANRHFSA-N 437.879 5.341 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2cccc(F)c2)c1 170140296 XJMAMMJXQUHESE-RUZDIDTESA-N 437.470 6.070 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2cccs2)cc1 170156795 GHPAWBLQETXWBU-QFIPXVFZSA-N 428.513 5.575 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccccn2)cc1Cl 170175480 NUPASSDJULFUSF-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@H]2c2cccnc2)c1 170185846 QARJBBFETGZQBV-DEOSSOPVSA-N 442.515 5.216 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccncc2)cc1 170208113 UHTAAEFLQHIJQD-QHCPKHFHSA-N 446.503 5.022 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2c[nH]c3ccccc23)c1 170256345 RNRZEWGFKIFLED-DEOSSOPVSA-N 444.531 5.476 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1Cc1cccnc1 170274723 AIGVJNYQUIBQCB-VWLOTQADSA-N 438.527 5.047 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2ccco2)cc1 170284012 ZVQUPCJNHDHJGL-NRFANRHFSA-N 437.879 5.423 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccc(C)o2)c1 170304538 DVGTWHHZVYKBMQ-HSZRJFAPSA-N 447.487 5.172 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4C)[C@H]3c3ccc(C)o3)oc12 170305660 IQOSKNCRFOOCCW-QFIPXVFZSA-N 443.455 5.434 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)=C(O)C(=O)N1c1ccccc1 170315014 WOVIFAQTXPPRMH-QVKFZJNVSA-N 431.513 5.163 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1Cc1cccnc1 170316816 SLOLKNCAOFRSLH-NRFANRHFSA-N 448.544 5.017 30 10 IKEE CCCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]2c2cccc(C)c2)cc1 170460530 PAYCABNCYWOKFJ-QHCPKHFHSA-N 435.520 5.077 30 10 IKEE O=C1C=Cc2ccccc2/C1=C/Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 205671312 FWUWBVFRROBPPF-XLNRJJMWSA-N 440.568 5.606 30 10 IKEE N#Cc1c(-c2ccccc2)c(-c2ccccc2)n(Cc2ccco2)c1N=CN1CCOCC1 254880209 WWENXMDAEOVSAZ-UHFFFAOYSA-N 436.515 5.327 30 10 IKEE C[C@]12CC[C@H](O)CC1=CC[C@H]1[C@H]2CC[C@@]2(C)/C(=N\N=C\c3ccc([N+](=O)[O-])s3)CC[C@H]12 504156845 BKFIBDWKIPCPQA-GMUDDXRFSA-N 441.597 5.755 30 10 IKEE COc1cc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc(Cl)c1O 526488050 CXJZJEUBBIKBNJ-IBGZPJMESA-N 438.892 5.045 30 10 IKEE COc1ccc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c(OC)c1 526488237 MDYVUJPBTAGTES-QHCPKHFHSA-N 446.890 5.286 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccc(Cl)c2)cc1 526514843 HAHANIVLPFZESY-DEOSSOPVSA-N 444.918 6.058 30 10 IKEE Cc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccc(OCC(C)C)c2)cc1 526520011 DDUSLXTUWLYJDD-AREMUKBSSA-N 438.527 5.959 30 10 IKEE CC(C)c1ccc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526607608 ZGKOFKSGDHTZAA-XMMPIXPASA-N 428.919 6.392 30 10 IKEE COc1ccccc1/C=N\n1c(CCc2ccccc2)nnc1SCc1ccc(C)cc1 526805595 OYQQLYDZQBCMRA-IMRQLAEWSA-N 442.588 5.555 30 10 IKEE CCc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2cc(C)ccc2C)cc1 526819145 CAWGQPNQZBHOLW-VEILYXNESA-N 440.616 6.223 30 10 IKEE CCCCCCCOc1ccccc1/C=N\n1c(C)nnc1SCc1ccc(C#N)cc1 526823246 UGVATKSZSCBYLL-IMRQLAEWSA-N 447.608 5.982 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(NC(=O)Nc3cc(C)ccc3C)CC2)c1 586086670 ALSNZLBNECBXMC-UHFFFAOYSA-N 448.611 5.567 30 10 IKEE CC(=O)ON=C(C)[C@@]12C[C@@H]1C[C@@H]1[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 607747291 GGQIDQJAIYDGEX-UYZZHRCQSA-N 427.585 5.436 30 10 IKEE C#CCCCCC[C@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 686707700 WPNPVHRZVPJOJE-IGKIAQTJSA-N 441.660 5.108 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@H](C#N)c1cc(Cl)ccc1Br 698428463 ZHCXHDVRCIOBQT-GOSISDBHSA-N 435.749 6.104 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1cccc(O)c1Cl 698490359 UAWMIKSOOVAUDY-OAHLLOKOSA-N 437.721 5.814 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@H](C#N)c1ccc(F)c(Br)c1 698866458 LYODQLGACBKSDV-MRXNPFEDSA-N 425.323 5.652 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Cl)c1Br)NCCC 719443934 PFJFBIOBBZZPMP-DLBZAZTESA-N 445.829 5.483 30 10 IKEE C#Cc1cccc(NC(=S)/C(=C(/O)c2ccccc2OC)[n+]2ccc(CCC)cc2)c1 726572708 KQDGBYNGVMMESZ-UHFFFAOYSA-O 429.565 5.240 30 10 IKEE CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C/C(=C/c5cn(C)nc5C)C(=O)[C@@]4(C)CC[C@@H]32)C1 1081082669 DXRJBJUDWMWZPC-PNIRHCEKSA-N 436.596 5.185 30 10 IKEE Brc1cc(C=NN(c2ccccc2)c2ccccc2)oc1N1CCOCC1 1083990628 YKBTXLFTVFYNRL-UHFFFAOYSA-N 426.314 5.051 30 10 IKEE Cc1ccc(Sc2ccc(/C=C3/SC(=Nc4cccc(Cl)c4)NC3=O)o2)cc1 1084184814 OYSPJKCKNDHFOE-LDADJPATSA-N 426.950 6.284 30 10 IKEE Oc1cccc(N/C(=N/CC2CCCCC2)NCc2cc(Br)ccc2F)c1 1088652274 BTRIYXYWSIEWNE-UHFFFAOYSA-N 434.353 5.432 30 10 IKEE O=C(/C=C\c1c[nH]nc1-c1cccc([N+](=O)[O-])c1)c1cccc(NC(=O)c2cccs2)c1 1772728168 QOIWPQYWXZLPKG-KTKRTIGZSA-N 444.472 5.195 30 10 IKEE O=C1/C(=C\c2ccc(O)cc2)SC(=NN=C/C=C/c2ccccc2)N1Cc1ccco1 1772758881 GSIBOBZPACPVGE-GRBBSEOSSA-N 429.501 5.157 30 10 IKEE N#CCc1cc(-c2ccccc2OC(F)(F)F)nc(-c2ccccc2OC(F)(F)F)c1 1848361879 OVONBOMYDVTRPF-UHFFFAOYSA-N 438.327 6.279 30 10 IKEE N#Cc1ccccc1NC(=O)c1nn(-c2ccc(Cl)cc2)c(-c2ccccc2)c1Cl 1859380869 CJLFHHBMKWZPGL-UHFFFAOYSA-N 433.298 5.970 30 10 IKEE N#Cc1cccc(C(=O)Nc2ccc(Cl)c(NC(=O)Nc3cccc(Cl)c3)c2)c1 1860461486 CGZVBQXBWQWCNR-UHFFFAOYSA-N 425.275 5.761 30 10 IKEE CCCCCCCCNC(=O)[C@H]1CCCN1C(=O)c1c(Cl)ccc(Cl)c1OC 1861149727 WCVPDMQOVILHCL-QGZVFWFLSA-N 429.388 5.083 30 10 IKEE CCCCCCCCNC(=O)[C@H](NC(=O)c1c(Cl)ccc(Cl)c1Cl)[C@H](C)CC 1861150313 MXWVLWDAVPJMJX-AUUYWEPGSA-N 449.850 6.268 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)c1ccc(Cl)s1)c1ccccc1 1861741829 RCYKFNAEHKFZOI-OAQYLSRUSA-N 435.033 6.130 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCC2=CCCCC2)c1 1862412815 OBYXHHOSRSUVAI-QHCPKHFHSA-N 437.486 5.742 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(C(F)(F)F)cc1 1862415640 CALFDWFULAFPJF-GOSISDBHSA-N 439.380 5.362 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(C(F)(F)F)cc1 1862416040 JYVXCOBZFRBORP-ADLMAVQZSA-N 439.380 5.360 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862478242 BWJDUOUNODRABH-RUZDIDTESA-N 447.575 6.085 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccs2)c1 1862479157 ZUCAHJGCXQXNHH-QFIPXVFZSA-N 433.529 5.234 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(O)c2)=C(O)C(=O)N1Cc1cccc(Cl)c1 1862589975 XTJUFTGREXWSKI-QFIPXVFZSA-N 433.891 5.133 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862599856 MABVUOJSQHLQNU-SBUREZEXSA-N 437.536 5.338 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(C(=O)OC)cc1 1862652867 OAXMGFAQKKVCGU-WAIKUNEKSA-N 443.499 5.003 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc([N+](=O)[O-])cc1 1862655104 ZTTVFAKDCJACFC-HSZRJFAPSA-N 444.487 5.517 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(OCCC)cc1 1862668803 HTYQVIQUSMENRW-XMMPIXPASA-N 435.564 5.977 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccccc1Br 1862669727 CZKCIHWXSILDMQ-HXUWFJFHSA-N 442.353 5.561 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccc(Cl)cc2)cc1 1862674160 KRMOMIJMNSKRBZ-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccc(Cl)cc2)c1 1862700497 HXMRAIBVHLFPCZ-MWTRTKDXSA-N 447.918 5.688 30 10 IKEE Cc1cccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(Cl)cc3)C2=O)c1C 1862791393 LWGUMEFUAHISSS-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE Cc1cc(Br)c2nc(C(=O)Nc3sc4c(c3C#N)CCCC4)cc(O)c2c1 1866541165 CTLBNPAGBYLBKG-UHFFFAOYSA-N 442.338 5.076 30 10 IKEE CC(C)c1nc(Nc2ccccc2C#N)cc(N2CCO[C@H](c3ccc(Cl)cc3)C2)n1 1868238793 WTMCYYBQWHNFNO-NRFANRHFSA-N 433.943 5.447 30 10 IKEE Cc1ccccc1-c1nc(Nc2ccc(C#N)cc2)cc(N2CCO[C@@H](c3ccncc3)C2)n1 1868311043 KKPSYRUYOSEBKJ-XMMPIXPASA-N 448.530 5.040 30 10 IKEE CCCCCCCOc1cn(CCCOCCCC)c(CSc2ncccn2)cc1=O 1870252366 PKIDQNXXTNDRQQ-UHFFFAOYSA-N 447.645 5.487 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(Cl)cc2)c(=O)cc1CSC(C)C 1870261479 NOPOVORRQBBJBP-UHFFFAOYSA-N 436.061 7.083 30 10 IKEE C#CCOc1cn(CCc2c[nH]c3ccccc23)c(CNc2ccc(Cl)c(C)c2)cc1=O 1871006789 WXMWGLRFAKEHHL-UHFFFAOYSA-N 445.950 5.158 30 10 IKEE C=CCn1cc(OCC(=O)Nc2ccccc2C(C)C)c(=O)cc1CNc1cccc(C)c1 1871171660 FDDXKKNQYDKSFQ-UHFFFAOYSA-N 445.563 5.096 30 10 IKEE CCc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(CCc3ccccc3)C4)C2=O)cc1 1871348693 HSJNEVSMXJTJBB-MYYYXRDXSA-N 425.528 5.568 30 10 IKEE Cc1ccc(C)c(CN2COc3ccc4c(c3C2)O/C(=C\c2cccc(Cl)c2)C4=O)c1 1871349330 OORUCAZGMRECHU-MSXFZWOLSA-N 431.919 5.925 30 10 IKEE Cc1cc(OC(=O)c2cccc3ccccc23)cc2c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O2 1871377821 FQIQRLQSRNYKSJ-YUMHPJSZSA-N 448.518 7.107 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OC(=O)COc4ccc(Cl)cc4)cc(C)c3C2=O)c1 1871381337 VDQKSASFKGPEAD-UUYOSTAYSA-N 434.875 5.557 30 10 IKEE CCOC(=O)c1ccc(Oc2coc3cc(OCc4ccccc4C#N)ccc3c2=O)cc1 1871436852 SUTQWCFWRDXZMK-UHFFFAOYSA-N 441.439 5.213 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3cc(Cl)ccc3C)cc(C)c2C1=O 1871457474 IYAAAYXNOSOFSP-KSEXSDGBSA-N 447.918 5.899 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cc(Cl)ccc4C)cc(C)c3C2=O)cc1 1871457687 TYIQCCWRZDRGCT-KSEXSDGBSA-N 447.918 5.899 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1871763265 XDGHFGCYJZXGMG-QHCPKHFHSA-N 442.625 5.294 30 10 IKEE N#C[C@H](C(=O)c1cc([N+](=O)[O-])ccc1Cl)c1nc(-c2ccc3ccccc3c2)cs1 1872760651 UPNGMPPZNVPRJP-GOSISDBHSA-N 433.876 6.015 30 10 IKEE COc1ccccc1-c1csc([C@H](C#N)C(=O)CCCOc2ccc(Cl)cc2)n1 1872766646 IWWOOBVFXKKRMV-GOSISDBHSA-N 426.925 5.508 30 10 IKEE CC(C)c1ccc(-c2csc([C@H](C#N)C(=O)Cc3cc(Cl)ccc3Cl)n2)cc1 1872774995 IGCSSHFAAGDZBZ-GOSISDBHSA-N 429.372 6.659 30 10 IKEE CC(C)c1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3Br)n2)cc1 1872775520 SJGUYXOYDIUNRA-QGZVFWFLSA-N 425.351 6.186 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3cc(C)ccc3C)n2)c2ccccc12 1872787120 BGYWPCGYOZHSQH-JOCHJYFZSA-N 426.541 6.008 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H](C)CC)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873087231 NPJJVBXHQIJTSS-NRFANRHFSA-N 432.608 6.182 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Cl)cc2Cl)=C(c2c(Cl)cccc2Cl)C1=O 1873289221 BQZWPPFSXBBQSC-UHFFFAOYSA-N 442.129 5.678 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2)=C(c2c(Cl)cccc2Cl)C1=O 1873292916 FDAMTLFYIQQVPP-UHFFFAOYSA-N 445.390 6.546 30 10 IKEE C=CCSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1ccc(C)cc1 1874206757 RYCMNVPQIZSFRP-FSJBWODESA-N 433.364 5.633 30 10 IKEE CCSc1nnc(CCc2ccc(OC)c(OC)c2)n1/N=C/c1ccc(C(C)C)cc1 1874219134 WONFTZGGZPSEEP-PCLIKHOPSA-N 438.597 5.198 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1cccc(C)c1 1874223158 WNKBDXAIBFUEMI-YZSQISJMSA-N 434.609 5.711 30 10 IKEE CCOc1ccc(OCc2nnc(SCc3ccc(C)cc3)n2/N=C/c2ccc[nH]2)cc1 1874234438 IATOEZWDUBBTJX-CVKSISIWSA-N 447.564 5.067 30 10 IKEE Fc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2ccc(Cl)cc2)cc1 1874379688 GQQZWOCRHRMUOV-CVKSISIWSA-N 436.943 5.836 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2F)n1/N=C/c1ccc(O)c(O)c1 1874395306 JNWXUIQZOMMQMJ-HEOQCTJZSA-N 448.523 5.155 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874438738 QFQQLYBLPIGVQA-VULFUBBASA-N 432.515 6.060 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2-c2ccco2)cc1OC 1874464091 QLEJPWMPEJAXCS-ZVHZXABRSA-N 434.521 5.038 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc(F)cc1 1874480104 IEVQPGXIOSFICT-WYMPLXKRSA-N 437.371 6.241 30 10 IKEE COC(=O)c1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C(C)(C)C)cc1 1874484178 JGOHNBHLJCTSNF-ZMOGYAJESA-N 442.972 5.190 30 10 IKEE Cc1ccccc1CSc1nnc(C2CCC2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874494601 ADDXPEFPKBBFAG-WYMPLXKRSA-N 431.392 6.335 30 10 IKEE COC(=O)c1ccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2C2CCC2)cc1 1874495994 POBNBYCSONPXLP-AFUMVMLFSA-N 434.565 5.124 30 10 IKEE Cc1ccc(CSc2nnc(C3CC3)n2/N=C/c2cccc(Br)c2)cc1 1874516961 NSTKCVXZKUMMCR-WSDLNYQXSA-N 427.371 5.401 30 10 IKEE CCOc1c(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc(Br)cc1OC 1874573294 GPMRBUJTXMUYOU-QPJJXVBHSA-N 430.125 6.059 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccccc1 1874578213 BPAQWQCKQNKPLC-ISLYRVAYSA-N 435.523 6.316 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(Cl)ccc1OCC(=O)Nc1ccccc1 1874580904 LTFGUXHLJMTYLG-PKNBQFBNSA-N 435.907 5.571 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2cccc(OCc3cccc(C)c3)c2)cc1Cl 1874599725 AMWVZWGUOFXYTM-MDZDMXLPSA-N 427.327 6.786 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3c(F)cccc3Cl)c(Cl)c2)cc1 1874609502 VAUYVQCLPJRCAR-VZUCSPMQSA-N 431.290 6.616 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1CC 1874616818 UKXSLRZWYDHQOD-FOWTUZBSSA-N 443.543 5.870 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCc3c(F)cccc3Cl)c([N+](=O)[O-])c2)c(C)c1 1874617908 ZPIHHOOEXMFNAZ-JXMROGBWSA-N 439.870 6.479 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OCC(=O)Nc1ccc(F)cc1 1874627702 RVBGBVKYWQJYKF-WTDSWWLTSA-N 441.405 5.026 30 10 IKEE C=CCOc1c(Br)cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc1OC 1874636707 OFTBDMWOPSEMBE-BQYQJAHWSA-N 431.326 5.544 30 10 IKEE Cc1cc(C(=O)/C=C/c2cccc(OC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)c2)ccc1F 1874703826 JFHIINNJDFCFOJ-FWAYRLMKSA-N 446.518 6.527 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc(Cl)cc3)c2)cc1C(C)C 1874711255 XFSHWEBFMOGSIV-MDWZMJQESA-N 448.946 6.896 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@H](C)c3ccccc3)c2)c(OCC)c1 1874714856 RDJZPDPXOUIALN-BBKFTCMMSA-N 444.527 6.089 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(CC)cc3)cc2Cl)cc1 1875100234 VCDAEUKJKOSDSH-OQLLNIDSSA-N 448.946 6.345 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)cc([N+](=O)[O-])c1OC(=O)CC(C)C 1875112206 XBRVIDMCQCCKMN-MDZDMXLPSA-N 431.872 5.495 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)cc1 1875137598 VDDBXHFLPCLHPD-WLRTZDKTSA-N 430.456 5.319 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OC(=O)Cc1ccc(C)c(C)c1 1875163220 APZMTLVOQHBELM-UXBLZVDNSA-N 436.454 5.634 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3)c([N+](=O)[O-])c2)c(C)c1C 1875166858 IINAHGBSKSFCHJ-FMIVXFBMSA-N 431.444 5.336 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3F)cc2)cc1Cl 1875173507 NSTSWTZSPUHPDY-FMIVXFBMSA-N 440.854 5.612 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)c3ccccc3)c(Cl)c2)cc1C 1875188097 NTDWPUBEUFQUQO-RDELFYGPSA-N 448.946 6.571 30 10 IKEE C=C1CCC(C[C@H](C[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)NCC)CC1 1947489670 WXLMTQNLFPYPMK-RPWUZVMVSA-N 430.633 5.601 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCC(C#N)(N(CC3CC3)C(=O)OC(C)(C)C)CC2)C1 1950145940 ZCMKRWIXWPDDHD-UHFFFAOYSA-N 433.593 5.097 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H]1[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1978217219 YWJFKESJUCKYKQ-HTAPYJJXSA-N 435.952 5.373 30 10 IKEE CCCCCCCCNC1(CNC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2014109536 HTQAYWIVJUKNOK-UHFFFAOYSA-N 431.665 5.496 30 10 IKEE CCCCCC#CC[C@@H](NCCC)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2024367020 DUXRNMOBEKCTHL-RPWUZVMVSA-N 430.633 5.439 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2)C2(CCC2)C1 2075894901 IZCOGNVTRPZDER-VQTJNVASSA-N 441.572 5.357 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C12CCC2 2076643674 CUKHPRGXEJTBRZ-VWLOTQADSA-N 447.620 5.772 30 10 IKEE CC[C@H](c1ccc(C)c(C)c1)n1nc(C(C)C)c(/C=N/O)c1I 2079099454 TYFNDMQZJHBQPT-OVEPSTSESA-N 425.314 5.035 30 10 IKEE Fc1ccc(C(F)(F)F)c(-c2c(C3CCC3)nn(C(F)(F)F)c2Br)c1 2080823198 JTBVZRDLUORDDJ-UHFFFAOYSA-N 431.149 6.214 30 10 IKEE CCCCCCCC[C@H](NN)c1ccc(Br)cc1I 2142281176 NDWAFARHGXUMMZ-HNNXBMFYSA-N 439.179 5.309 30 10 IKEE CN[C@H](CC#CC1CCCCC1)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2149857586 KAZGOKVQXFGWNA-LJQANCHMSA-N 435.406 6.030 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1ccc(C)c(I)c1 2212991228 UZFYXRFAMQOTJM-OAQYLSRUSA-N 435.349 5.413 30 10 IKEE CCN[C@H](C#Cc1ccc(Cl)cc1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2216973384 OUHZKNXNEMSBJN-DEOSSOPVSA-N 441.015 5.887 30 10 IKEE CC#CCCOc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C(=O)O)c1 2243589466 PLZCEBRUVHRHPJ-UHFFFAOYSA-N 441.483 5.538 30 10 IKEE CC(C)(C)OC(=O)NC[C@@]1(C)CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2258801453 BMDQWUYYBACJPQ-DNQXCXABSA-N 447.551 5.544 30 10 IKEE CC#CCC[C@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2262546084 WLKSAKFVEKHONR-SANMLTNESA-N 429.560 5.665 30 10 IKEE C=CC[C@]1(COc2ccc(N)c(Br)c2)CCCCN1C(=O)OC(C)(C)C 2272095035 ACYRNZPRONVELT-HXUWFJFHSA-N 425.367 5.146 30 10 IKEE C=CC[C@H](C)[C@H](OCCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2276656328 LGKQBTNHQSSENV-IADCTJSHSA-N 445.603 6.463 30 10 IKEE CCCC[C@@H](CC)CSc1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2278252773 JTJYHCZJIXAREY-CQSZACIVSA-N 428.245 5.452 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCC)c2cc(Br)cc(C(C)C)c2)C1 2280712149 XRUFRRRLWOIJQJ-IBGZPJMESA-N 437.422 5.837 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCCC)c2ccc(C)c(Br)c2)C1 2295814900 DGSMVRLDFRBLNH-IBGZPJMESA-N 437.422 5.659 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)CC 2296298146 HIPOVXGZYULYQA-FFZOFVMBSA-N 437.422 5.108 30 10 IKEE Cc1ccc(NC(=S)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(C)cc2C)cc1 2296405113 NBCVCTSZOBPCPX-UHFFFAOYSA-N 439.588 5.785 30 10 IKEE O=C1C(=Cc2ccccc2Br)Oc2cc(OCc3ccc(F)cc3)ccc21 2296868051 QSEUVMXYPAVLDG-UHFFFAOYSA-N 425.253 5.783 30 10 IKEE CCOc1cc(C=C2SC(=Nc3cccc4ccccc34)NC2=O)cc(Cl)c1OC 2296909446 YEYFMRSTOIVOPM-UHFFFAOYSA-N 438.936 5.792 30 10 IKEE CCCCN1C(=O)C(=C2SC(=Nc3ccc(Cl)cc3)N(C)C2=O)c2ccccc21 2297313578 JJIBUHATVABDNO-UHFFFAOYSA-N 425.941 5.091 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@H](C#N)[C@@]1(C)CCCCN1C(=O)OC(C)(C)C 2302616859 BQTVACORAQIQCJ-WZONZLPQSA-N 449.617 5.557 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(SCc2cccc(Cl)c2)nnc1C1CC1 2320889476 HXLRFBYGHKLSAK-UHFFFAOYSA-N 448.979 6.145 30 10 IKEE Cc1c(OCc2ccc([N+](=O)[O-])cc2)ccc2c1OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2321853814 NODYYEQOYPDQIE-UHFFFAOYSA-N 443.499 6.396 30 10 IKEE COc1cccc(C=C2Oc3c(ccc4c3CN(Cc3ccccc3Cl)CO4)C2=O)c1 2321958316 OPMIYCUTMMLCRK-UHFFFAOYSA-N 433.891 5.317 30 10 IKEE CCOc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccccc2)C4)cc1 2321981807 TVZHOZHOQXJNDW-UHFFFAOYSA-N 427.500 5.362 30 10 IKEE CCc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(C2CCCCCCC2)C4)cc1 2322183810 VHZOAZGCRFWJMM-UHFFFAOYSA-N 431.576 6.438 30 10 IKEE O=C1C(=Cc2cccc(F)c2)Oc2c1ccc1c2CN(CCCCc2ccccc2)CO1 2322249447 YJTAUJNBWXIDRI-UHFFFAOYSA-N 429.491 5.617 30 10 IKEE Cc1ccc(COc2ccc(Cl)cc2C=CC(=O)c2cccc(Br)c2)cc1 2322464807 MMQDJOATAYYVRV-UHFFFAOYSA-N 441.752 6.886 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1cccc(F)c1)c1ccc(Cl)c(Cl)c1 2322585646 UOCOELWNYHCIKI-UHFFFAOYSA-N 435.709 7.261 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2c(Cl)cccc2Cl)cc1 2322596076 YAIUPKRRHUDCBR-UHFFFAOYSA-N 431.746 7.430 30 10 IKEE CC(C)COC(=O)COc1ccc(Br)cc1C=CC(=O)c1ccc(F)cc1 2322738322 MNCIIRIDCFAQSC-UHFFFAOYSA-N 435.289 5.062 30 10 IKEE CCOc1cc(C=NNc2ccc(F)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 2322953402 PCQMUWRMDIPYQT-UHFFFAOYSA-N 433.310 6.556 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2cccc(OCc3cccc(C)c3)c2)cc1 2323226190 DHHMQOFKVZQBDH-UHFFFAOYSA-N 442.599 7.819 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(Cl)c1OCc1ccccc1 2323400242 PABQEXRLJPODLB-UHFFFAOYSA-N 442.942 7.367 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(OC)c1OCC(=O)NCCC 2323409636 KSTFVLCDHLNJLT-UHFFFAOYSA-N 443.543 5.378 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(OC)c2)cc(OC)c1OCc1ccccc1F 2323504103 MSFACOXMZCYEBW-UHFFFAOYSA-N 432.491 6.047 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Cl)c1OCc1ccccc1Cl 2323758328 FJKGIKTVRJTDEM-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE COc1cc(C=C2CN(Cc3ccccc3)CCC2=O)ccc1OCc1cc(C)ccc1C 2323850780 KFPWWCUMYPDTJR-UHFFFAOYSA-N 441.571 5.749 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)c1 2323889704 GSDJLVZIQVZCAM-UHFFFAOYSA-N 448.858 5.491 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OCc3ccccc3C)c(OC)c2)c(C)c1C 2324304714 BBXULVXJRWDAQU-UHFFFAOYSA-N 446.543 6.113 30 10 IKEE C[C@H](Oc1ccc2c(c1)OC(=Cc1ccccc1Cl)C2=O)C(=O)Nc1ccc(F)cc1 2324305813 KGSGGCZJGVJOJO-AWEZNQCLSA-N 437.854 5.501 30 10 IKEE N#C[C@H](C(=O)C=Cc1ccc(Cl)cc1Cl)c1nc(-c2ccc(Cl)cc2)cs1 2324490792 OPHIABNARGHZCE-MRXNPFEDSA-N 433.747 6.660 30 10 IKEE Cc1ccccc1OCCCCOc1ccc2c(c1)OC(=Cc1ccc(C(C)C)cc1)C2=O 2324595429 CZSLUPCXYDHNOU-UHFFFAOYSA-N 442.555 6.973 30 10 IKEE COc1ccc(OCCCOc2ccc3c(c2C)OC(=Cc2ccccc2OC)C3=O)cc1 2324705726 FUXRWLBLALOOEC-UHFFFAOYSA-N 446.499 5.476 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@H](C#N)C(=O)C=Cc2ccc(C(C)(C)C)cc2)n1 2324725757 PAHHOWWNSWJQJG-JOCHJYFZSA-N 444.600 6.623 30 10 IKEE CCCCCCCCCOc1cc(C)c2c(c1)OC(=Cc1c(Cl)cccc1Cl)C2=O 2325196515 PWWLECJMZUXSEJ-UHFFFAOYSA-N 447.402 8.047 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C)cc4Cl)ccc3C2=O)cc1 2325294369 DFCXXYBXOJXLOK-UHFFFAOYSA-N 447.918 5.845 30 10 IKEE COC(=O)c1ccc(COc2cc(C)c3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)o1 2325382700 CRADAQMOIVUJLY-UHFFFAOYSA-N 432.472 5.693 30 10 IKEE COc1ccc(CCOc2ccc3c(c2)OC(=Cc2ccc(-c4ccccc4)cc2)C3=O)cc1 2325631377 ZIVDIIIYRALAFX-UHFFFAOYSA-N 448.518 6.600 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(F)c(F)c2)c1)c1ccc(-c2ccccc2)cc1 2325669532 WAIZVMKEBBGXSR-UHFFFAOYSA-N 440.445 6.747 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2cccc(OC(=O)c3cnc(C)cn3)c2)cc1Cl 2325766940 WNQRBBVNKYDOKD-UHFFFAOYSA-N 443.286 5.216 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1N=Cc1ccccn1 2325847154 YJFCDSDELBXSHY-UHFFFAOYSA-N 449.624 5.533 30 10 IKEE C=CCSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1ccc(F)cc1 2325883886 HIJJAJSOBMTDHM-UHFFFAOYSA-N 446.551 5.742 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CCCOc2ccccc2Cl)nnc1SC 2326037619 QXFQVQCSYCWMRG-UHFFFAOYSA-N 442.972 5.112 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cccc(Cl)c1Cl 2326358328 YMTJCMMZEBQZIZ-UHFFFAOYSA-N 439.799 6.365 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2cccc(F)c2)c(C)c1 2326460895 QGMHWDAJBADIGK-UHFFFAOYSA-N 430.552 5.799 30 10 IKEE CCCOc1ccc(C=Nn2c(COc3ccc(Cl)c(C)c3)nnc2SC)cc1 2326490042 IBVMOSXRHUJJSL-UHFFFAOYSA-N 430.961 5.212 30 10 IKEE CCSc1nnc(CCCOc2ccccc2C)n1N=Cc1ccccc1OC(C)C 2327082334 SENQCGOVTGLBQV-UHFFFAOYSA-N 438.597 5.380 30 10 IKEE Cc1ccc(CSc2nnc(CCCOc3ccccc3)n2N=Cc2ccccn2)cc1 2328711689 BERGFIPEXMMSOJ-UHFFFAOYSA-N 443.576 5.168 30 10 IKEE CCCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1c(Cl)cccc1Cl 2329121616 RSJSLQUHJSRYIK-UHFFFAOYSA-N 439.799 6.213 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccccc3Cl)n2N=Cc2cccc(F)c2)c1 2329551545 MJMRKDZJKUNNFZ-UHFFFAOYSA-N 436.943 6.221 30 10 IKEE CCCCCOc1ccc(C=Nn2c(Cc3ccccc3F)nnc2SC)cc1OC 2329700029 VUCVZYKXGDMMDQ-UHFFFAOYSA-N 442.560 5.190 30 10 IKEE COc1ccc(C=Nn2c(COc3ccccc3)nnc2SCc2ccccc2C)cc1 2329883775 PLBARGBBFHYBLN-UHFFFAOYSA-N 444.560 5.349 30 10 IKEE CCCSc1nnc(COc2ccccc2)n1N=Cc1ccc(Br)cc1 2329920212 DFIZITBOUVPZBP-UHFFFAOYSA-N 431.359 5.004 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2ccccc2)n1N=Cc1ccc(O)cc1 2330164766 QIXCCKWGTMJILY-UHFFFAOYSA-N 428.561 5.252 30 10 IKEE OCCCSc1nnc(CC2CCCCC2)n1N=Cc1ccc(Cl)c(Cl)c1 2330286404 BHTNFNPEZGFCCH-UHFFFAOYSA-N 427.401 5.064 30 10 IKEE Fc1ccccc1CSc1nnc(-c2cccs2)n1N=Cc1ccc(Cl)cc1 2330583862 ZRDDRNAAAMNOCJ-UHFFFAOYSA-N 428.945 5.974 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2ccccc2C)c1 2330642761 VTEJNHUFTDEIPV-UHFFFAOYSA-N 441.560 5.175 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)Cc1cccs1 2330694297 MNNOBAUXGANQPO-UHFFFAOYSA-N 446.568 6.070 30 10 IKEE Cn1cccc1C=Nn1c(SCc2c(F)cccc2Cl)nnc1-c1ccccc1 2330707360 ANFPWMGNVRXLCE-UHFFFAOYSA-N 425.920 5.251 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 2330802242 QRWDVRQYJDPDDJ-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3cccc(OC)c3)cc2)cc1 2330825751 AGFLKKROCOXFNF-UHFFFAOYSA-N 444.527 5.918 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)c(C)c3)c(OC)c2)cc1C 2330880201 SNTNYOCMNYNVKF-UHFFFAOYSA-N 448.490 5.504 30 10 IKEE Fc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CCCC2)c(F)c1 2331077849 ZEITYRFGZDNPCO-UHFFFAOYSA-N 432.927 6.042 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SCCC)nnc2C2CCCC2)cc1OCC 2331084609 PPIGVCMUCIQCOZ-UHFFFAOYSA-N 444.645 6.288 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)c1cccs1 2331105101 BAOQEWJIJKKOGT-UHFFFAOYSA-N 440.467 5.879 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(C(F)(F)F)n2N=Cc2ccc(Cl)cc2)cc1 2331125991 YDCNAGXZRGYXGE-UHFFFAOYSA-N 441.822 5.033 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)c(Cl)c2)c(C)c1 2331222498 KGFHTGGQTAQLGX-UHFFFAOYSA-N 448.990 6.975 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccc(CC)cc2)n1N=Cc1ccccc1Cl 2331636818 IVLIBTNXBPUYGX-UHFFFAOYSA-N 441.988 5.059 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)cc2)c1 2331643585 FHYOKIMHOCONIG-UHFFFAOYSA-N 444.527 6.053 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc([N+](=O)[O-])c1OC(=O)c1ccco1 2331708284 ZVWWSHHMZLXSED-UHFFFAOYSA-N 435.432 5.319 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc([N+](=O)[O-])c1OC(=O)C(C)(C)C 2331708562 XGEPCGNQZMRIDW-UHFFFAOYSA-N 425.481 5.458 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(Cl)c3)cc2)cc1 2331818802 YAKTWPGUDHXZTE-UHFFFAOYSA-N 448.946 6.345 30 10 IKEE CC(C)c1ccc(C=CC(=O)Nc2c(C#N)nnn2-c2ccc(Oc3ccccc3)cc2)cc1 2332187536 QEZVPRIWHXTYEZ-UHFFFAOYSA-N 449.514 5.707 30 10 IKEE CCC[C@@](C)(CNC(=O)OC(C)(C)C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339597567 RUNRBQNNIRCIPL-DEOSSOPVSA-N 446.397 5.189 30 10 IKEE N#Cc1cc(Br)ccc1OCc1ccc(Cl)cc1I 2340082177 LQEHNOBEHITWDK-UHFFFAOYSA-N 448.485 5.158 30 10 IKEE CCN[C@H](C#Cc1cccs1)c1cc(Cl)c(NC(=O)OC(C)(C)C)c(Cl)c1 2363553587 CITBNVJODZRZOY-QGZVFWFLSA-N 425.381 6.104 30 10 IKEE CC1(C)OB(/C=C/c2ccc(Nc3cc(Cl)ccc3Br)nc2)OC1(C)C 2365108907 XFEDZXRELWOWHZ-MDZDMXLPSA-N 435.558 5.886 30 10 IKEE C[C@@H](CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CCC(=O)C=C1C[C@H]3O)C(=O)O 13512290 SATGKQGFUDXGAX-ZDVBPBRVSA-N 430.629 5.632 30 10 IKEE endogenous,in-man C=CCN1C(=O)/C(=C/c2ccc(Br)cc2)S/C1=N\c1ccc(C)cc1O 16932597 WYDHOFRWWJPAHJ-JLZFKDTQSA-N 429.339 5.253 30 10 IKEE C[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@H]2c1cc(F)cc(F)c1 19640473 SCZUUAROYDBCHV-QMTYFTJSSA-N 444.481 6.032 30 10 IKEE C=CCn1c(SCCC(=O)NC(c2ccccc2)c2ccccc2)nnc1C(C)(C)C 20839400 XZOKNKNBQHFOOG-UHFFFAOYSA-N 434.609 5.150 30 10 IKEE COc1cccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(Oc3ccccc3)c2)c1 21240109 IAEFKCPXLRUXBZ-RDPSFJRHSA-N 439.511 5.492 30 10 IKEE O=C(Oc1ccc(F)cc1C(=O)/C=C\c1ccc(F)cc1)c1ccccc1Br 33442100 UJZDDPQELGNSHH-XFFZJAGNSA-N 443.243 5.843 30 10 IKEE Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cccc(Cl)c1 33676793 NSOBBJQCNCGRDY-IBGZPJMESA-N 429.734 6.863 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Br)cc3)cc2)c1 34954846 BVRHNGHLGQAKFM-VGOFMYFVSA-N 437.289 5.573 30 10 IKEE C=CCc1ccccc1OCCCCn1c(CCCNC(=O)C(=C)C)nc2ccccc21 35144736 SHJDBWCFUZVKOD-UHFFFAOYSA-N 431.580 5.249 30 10 IKEE C=CCC[C@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1 36303923 GUMQQLNKLVTDPC-QHCPKHFHSA-N 449.595 5.521 30 10 IKEE COc1ccc(/C=C2\S/C(=N/N=C\C=C\c3ccccc3)N(Cc3ccco3)C2=O)cc1 47138721 WIDWOBGEDGILQO-TUCNTELTSA-N 443.528 5.460 30 10 IKEE CCCCCCCCOc1ccc(N/C=C2\N=C(c3cccc4ccccc34)OC2=O)cc1 100168347 PECVOBPXJQXXMJ-QOMWVZHYSA-N 442.559 6.836 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2ccccc2OCCOc2ccccc2)cc1 100238503 IWPYGKQTTWXKKQ-UHFFFAOYSA-N 447.575 6.746 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccccc4)ccc3C2=O)c2ccccc21 102738733 RJCNDIUKZRXYMB-DLTKUIBBSA-N 435.479 5.896 30 10 IKEE Cc1ccc(N[C@H](n2nnc3ccccc32)C(F)(F)C(F)(F)C(F)(F)C(F)F)cc1 106871204 HPINYSAOJUHMMK-OAHLLOKOSA-N 438.322 5.521 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1cc(OC)ccc1OC 135880067 IPWAZVCAYZRTER-QRVIBDJDSA-N 430.961 5.076 30 10 IKEE COc1cc(/C=N/Nc2ccc(C)c(C)c2)ccc1OCc1ccc(Br)cc1 169876646 HEUAEBCLRFAPOB-AFUMVMLFSA-N 439.353 6.100 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(OC(C)C)c2)cc1 169981374 NBTWYMWIJBJQBA-XMMPIXPASA-N 433.548 5.557 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(O)c(Cl)c1)c1cc2ccccc2o1 170041413 GFFOREXGZYNLDU-OAQYLSRUSA-N 449.846 5.163 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(O)cc2)c1 170131215 XATJOXPPXZHHHK-HSZRJFAPSA-N 447.462 5.101 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(O)cc2)cc1C 170133262 WESCNBKPORTFDT-DEOSSOPVSA-N 443.499 5.109 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2cccs2)c1 170139255 ZOVGUSQIFMAOCV-MWTRTKDXSA-N 445.540 5.158 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(C(C)(C)C)cc1 170149830 VCYVLRBOIQZRSE-OAQYLSRUSA-N 436.508 5.271 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccs2)c(OCC)c1 170159161 WHTOQAPNSSIZDP-QFIPXVFZSA-N 449.528 5.328 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccncc2)c(C)c1 170205588 AZFNEBQLZFFJMN-DEOSSOPVSA-N 442.515 5.269 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2)cc1C(C)C 170226190 PMCCIDXRTJQQCC-DEOSSOPVSA-N 427.500 5.602 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccccc1F 170253206 PKRKZNDFPYGHNN-IBGZPJMESA-N 446.316 5.357 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@@H]1c1ccco1 170284426 XVZZNPAQWLZRIK-QFIPXVFZSA-N 449.890 5.349 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCCOC(C)C)o1 170310546 BMPAJXDBPMWGCC-QHCPKHFHSA-N 433.504 5.135 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(Cl)cc3)[C@@H]2c2cccc(O)c2)cc1 170423870 NSCMCOXYPIIKLJ-HSZRJFAPSA-N 447.918 5.175 30 10 IKEE CCOc1cc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cc(C)ccc2C)ccc1OC 170440265 LPZOSKXCIUCIGC-QFIPXVFZSA-N 437.536 5.226 30 10 IKEE O=C(/C=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(NC(=O)c2cccs2)c1 210049589 YZWCQXYLKPPZPF-BENRWUELSA-N 444.468 6.065 30 10 IKEE N#CCCN(C(=O)c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1)C1CCCCC1 247713702 LTUSGYPXTBVVFE-UHFFFAOYSA-N 443.956 6.088 30 10 IKEE CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2C)SC1=Nc1ccc(C)c(C)c1 252632670 VWJDRYKVGRMRDT-IBGZPJMESA-N 429.973 5.245 30 10 IKEE C=CCn1c(-c2ccc(C)cc2)c(NC(=O)c2ccco2)sc1=Nc1ccccc1OC 254855425 YUNPFLNEIAXJAO-UHFFFAOYSA-N 445.544 5.797 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2sccc2C)cc1OC 526606202 ISTAHFVLLPTAEE-OAQYLSRUSA-N 432.501 5.003 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1cccc(Br)c1 526810041 ZWFNLEGYHXSOHO-QRVIBDJDSA-N 443.414 5.784 30 10 IKEE N#Cc1ccc(CN(c2cccc3cccnc23)S(=O)(=O)c2cccc(Cl)c2)cc1 586224238 SWFHVFNCTAKQPR-UHFFFAOYSA-N 433.920 5.155 30 10 IKEE C=CCN(CC=C)C(=O)Nc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 586663680 LDOHFGVQYGLFHR-UHFFFAOYSA-N 437.849 5.817 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCSc2ccccc21 698494941 AKHAOVSTGYVBCJ-NRFANRHFSA-N 445.382 6.105 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@](C)(C#N)c1cc(Br)ccc1F 698863932 XBULXXZFSHXDPE-IBGZPJMESA-N 439.350 5.826 30 10 IKEE C[C@@H]1[C@H]2CC[C@@H](C[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1)N2C(=O)OC(C)(C)C 709318441 QNSKGZLADLASQV-NAOGDZDTSA-N 447.620 5.626 30 10 IKEE C=CCC1(C(=O)Cc2ccc(Br)cc2Cl)CN(C(=O)OC(C)(C)C)C1 722949907 JAZBFXQXXNNPBO-UHFFFAOYSA-N 428.754 5.027 30 10 IKEE C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(OC(C)C)cc2)[n+]2cc(O)ccc2C)c1 726572590 CTTFGWCXPGMXMF-UHFFFAOYSA-O 445.564 5.080 30 10 IKEE COC(=O)c1ccc(O)c(N/C(=N/Cc2cccc3ccccc23)NC2CCCCC2)c1 1088710188 ZWVUDRKWYXUADW-UHFFFAOYSA-N 431.536 5.222 30 10 IKEE Cc1cc(C)cc(NC(=O)c2oc3c(c2C)C(=NNc2ccc([N+](=O)[O-])cc2)CCC3)c1 1772748746 WRJPZTDMUADHBQ-UHFFFAOYSA-N 432.480 5.518 30 10 IKEE Cc1ccc(-c2c(C)sc3nc(-c4ccncc4)n(Cc4cccc(C#N)c4)c(=O)c23)cc1 1857804594 AXKOVHGQMIIOCH-UHFFFAOYSA-N 448.551 5.724 30 10 IKEE CCSc1ccccc1C(=O)Nc1c(C#N)cnn1-c1cc(C)c2cc(C)cc(C)c2n1 1859657223 YIDUUHRGSUWYOU-UHFFFAOYSA-N 441.560 5.582 30 10 IKEE CCCCCCCCCCNC(=O)c1cc2cc(Br)cc(OC)c2oc1=O 1859671400 OZQWMYNNWSRFFI-UHFFFAOYSA-N 438.362 5.435 30 10 IKEE Cc1cc(C)c(NC(=O)[C@@H](C)Oc2cccc(NC(=O)c3cccc(C#N)c3)c2)c(C)c1 1860132316 COGYLQZQMKBVQS-LJQANCHMSA-N 427.504 5.142 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)Cc1ccc(OCCC)c(C)c1 1860985439 XRHPRSKLSUUTBJ-MHZLTWQESA-N 446.676 5.868 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc(C)c1 1862429518 PENMPYNPHIIGLF-HSZRJFAPSA-N 439.983 6.587 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc(Cl)c1 1862433286 YMDUEYFJTYKWTH-FQEVSTJZSA-N 448.346 5.387 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc(Br)c1 1862438483 BSSYSHQMDYFQEM-KPZWWZAWSA-N 448.744 5.479 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccccc2C)cc1 1862514624 KRCSJVNKULEJDT-DNVKUUNQSA-N 447.575 5.941 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@H]1c1ccc(O)cc1 1862515792 VMHWMJVBOGGFRA-HSZRJFAPSA-N 437.536 5.340 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccccc2C)cc1 1862531853 DFBHANSEIUQWHY-XMMPIXPASA-N 445.946 5.989 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc(F)cc2F)cc1 1862535023 WAQYGOLQSGPGFR-AECOYVPUSA-N 439.502 5.684 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cccc(F)c1 1862544860 MXXHLXAVBMSDGF-DEOSSOPVSA-N 435.539 5.863 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(C(C)C)cc2)cc1 1862660209 GVKGAVCFTNNIOY-NOZRDPDXSA-N 447.575 5.691 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 1862667482 CENWILBAFBEHBA-FQEVSTJZSA-N 432.347 6.104 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CC)cc1 1862671248 NHFISYKJQAFVRE-DEOSSOPVSA-N 435.564 5.977 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1Cl 1862712345 PCINEAQNULTHSJ-QHCPKHFHSA-N 449.934 5.497 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862719324 MDYIODIAQGCWEO-NRFANRHFSA-N 448.862 5.166 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCCCCCCC)cc2)[C@@H]1c1ccccc1 1862730908 IDIMNOBSAFQQLS-DEOSSOPVSA-N 433.548 5.800 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862736981 QPHYXQAXBRKLFL-HXOBKFHXSA-N 442.471 5.243 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(F)c(Cl)c3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862897477 PONMUFKCEJVJAJ-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE CCc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccccc3Cl)C2=O)cc1 1863069559 UUIURFJEDHGRRN-UHFFFAOYSA-N 427.891 5.171 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C)cc2)=C(c2ccc(OC(C)C)cc2)C1=O 1863355735 FAIWDVAJTUOTRU-UHFFFAOYSA-N 448.607 6.335 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(Cl)cc2)C(=O)N(CCC(C)C)C1=O 1863538284 AFIYOEDXPPJREN-UHFFFAOYSA-N 433.036 6.196 30 10 IKEE CCCCCCCCCCCC(=O)NC[C@@H](c1ccccc1)S(=O)(=O)c1ccccc1 1865984731 CWRMGNSHZMSMHZ-VWLOTQADSA-N 443.653 6.239 30 10 IKEE Cc1oc(-c2ccc(F)cc2)nc1CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1868166946 HKWQBYRNZTXQGE-UHFFFAOYSA-N 446.322 6.008 30 10 IKEE C=CCN(CC=C)c1cc(N2C[C@H](CC)Cc3cc(OC)ccc32)nc(-c2ccccc2)n1 1869207519 GSPXZQMMPPTOIB-OAQYLSRUSA-N 440.591 6.051 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(OC)cc2)c(CN(C)CCCC)cc1=O 1870414349 MJZHNEKODSKXIV-UHFFFAOYSA-N 428.617 5.486 30 10 IKEE CCCCCCCOc1cn(CCCCCC)c(CN2CCC(N(C)C)CC2)cc1=O 1870416867 SPLFZVXHERDDIU-UHFFFAOYSA-N 433.681 5.304 30 10 IKEE C=CCOc1cn(CCCCCCCCCC)c(CNc2ccc(F)c(Cl)c2)cc1=O 1870812256 ACLKHXMICRJETQ-UHFFFAOYSA-N 449.010 6.958 30 10 IKEE CCCCCCCCn1cc(OCC(=O)NC(C)C)c(=O)cc1CNc1ccc(C)cc1 1870945243 JOAFQEQAMFWVMC-UHFFFAOYSA-N 441.616 5.033 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc4c3CN(CCc3ccc(C)cc3)CO4)C2=O)c1 1871348075 OXRXNIKIBLFYLL-MYYYXRDXSA-N 427.500 5.014 30 10 IKEE CCN(CC)CCCCN1COc2c(cc3c(c2C)O/C(=C\c2sccc2C)C3=O)C1 1871354769 ADLZTEHCCGBFTR-STZFKDTASA-N 440.609 5.255 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OC(=O)c3ccc(-n4cccc4)cc3)c2C)C1=O 1871383453 AWEOVYOCXMCGHE-UQQQWYQISA-N 435.479 5.930 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccccn1)C2=O)c1ccc(OCc2ccccc2)cc1 1871388923 PEBRCYRXWINDTC-QQXSKIMKSA-N 449.462 5.496 30 10 IKEE CCCN(CCC)Cc1c(O)cc(C)c2c1O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 1871394185 JLMPUUXQYNEXPE-NDENLUEZSA-N 434.363 6.246 30 10 IKEE CCn1cc(/C=C2\Oc3c(ccc(OCCCc4ccccc4)c3C)C2=O)c2ccccc21 1871399978 YURNDUWMJZUNQN-IMRQLAEWSA-N 437.539 6.597 30 10 IKEE CCOc1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(C)c1)C2=O 1871418003 IRBZFSGXKAICEE-OYKKKHCWSA-N 429.472 5.027 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(Cl)cc4)cc(C)c3C2=O)cc1 1871441029 UIBWKRPJEBPQOB-UUYOSTAYSA-N 433.891 5.591 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(Cl)cc2)[nH]c(N(CC)CC)n1 1871523377 MPEGLJJHBBFCKV-UHFFFAOYSA-N 433.044 6.089 30 10 IKEE C=CCN=c1nc(Nc2ccc(-c3ccccc3C)cc2)[nH]c(N2C[C@@H](C)C[C@H](C)C2)n1 1871639411 HGCWBIPVEUVOEW-OALUTQOASA-N 428.584 5.093 30 10 IKEE C=CCN(CC=C)c1nc(=NCCCCC)[nH]c(=Nc2cc(C(C)C)cc(C(C)C)c2)[nH]1 1871674450 UPBHZUMKBVPEDZ-UHFFFAOYSA-N 436.648 5.486 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)cc1)[C@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1871775958 JLYOGWXGBHEWKL-NTKDMRAZSA-N 442.625 5.232 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1cccs1 1872426649 FTCMDYPMRYCMMK-GOSISDBHSA-N 441.018 5.084 30 10 IKEE N#C[C@@H](C(=O)c1ccc(-n2cccc2)cc1)c1nc(-c2ccc(Br)cc2)cs1 1872765233 KHFUNOFOGHEZPT-IBGZPJMESA-N 448.345 5.853 30 10 IKEE Cc1ccc(C)c(-c2csc([C@@H](C#N)C(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)c1 1872773121 WPWFPEKSPWYEHZ-INIZCTEOSA-N 436.449 5.042 30 10 IKEE Cc1ccc(C)c(-c2csc([C@H](C#N)C(=O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)c1 1872773169 XUFLZYNFBVZTAX-CZTZKLFOSA-N 443.572 5.213 30 10 IKEE CC(C)(C)c1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 1872773456 OBAFMTSSCDIOLI-PNOMZVSUSA-N 442.628 7.295 30 10 IKEE N#C[C@@H](C(=O)Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872774259 LVOWTQBTHDZHQI-AWEZNQCLSA-N 445.327 5.307 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H](CC)CCCCC)=C(c2ccccc2F)C1=O 1873029826 PKVDLIQWAXJXLO-FQEVSTJZSA-N 430.608 6.215 30 10 IKEE CCCCCCCCN1C(=O)C(NCCC2=CCCCC2)=C(c2ccc(OC)cc2)C1=O 1873142087 DNNKSACQYCEXNA-UHFFFAOYSA-N 438.612 5.616 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(Cl)c2C)=C(c2cccnc2)C1=O 1873268852 IYCHLNSWTSIMJE-UHFFFAOYSA-N 425.960 5.596 30 10 IKEE N#Cc1nc([C@H]2C[C@@H]2c2ccccc2)oc1N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1873470437 IBVIJOUYVVHZSP-SIJSCCCSSA-N 448.482 5.483 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(F)c(F)c1)n2CC 1873620147 WFCFULWQSKZJEP-UHFFFAOYSA-N 429.515 5.754 30 10 IKEE C=CCn1c(C(=O)Nc2ccccc2CC)cc2c(NCCCCCCCC)ncnc21 1873620955 CAZPQPFUDBVBEE-UHFFFAOYSA-N 433.600 6.204 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3[N+](=O)[O-])n2/N=C/c2ccco2)c1 1874297258 RXVXRGRMOZASDN-ZVHZXABRSA-N 447.520 5.161 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccc(C)cc3C)n2/N=C/c2cccs2)cc1 1874325599 XTTUVDLEQQHMPT-AFUMVMLFSA-N 448.617 6.018 30 10 IKEE CCCOc1ccc(/C=N/n2c(Cc3ccc(C)c(C)c3)nnc2SC)cc1OCC 1874356074 QOBAOYOYFTYKSW-PCLIKHOPSA-N 438.597 5.277 30 10 IKEE CCCSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874359798 ZSMYSPVARSRLSP-YDZHTSKRSA-N 443.960 5.432 30 10 IKEE CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874364923 BGKQMBSLWGJLSB-MFKUBSTISA-N 448.935 5.422 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(Cl)cc1Cl 1874366922 BGAVDGFCHCWRFY-AUEPDCJTSA-N 437.783 6.456 30 10 IKEE C=C(C)CSc1nnc(CCc2cccs2)n1/N=C/c1ccc(Br)cc1 1874371843 URPDVZYDNYVJHN-CIAFOILYSA-N 447.427 5.438 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2)nnc1[C@@H](C)c1ccccc1 1874399403 OQJSMSKTXKDTGN-FQNOVECQSA-N 447.007 6.566 30 10 IKEE COc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCc2cccc(F)c2)cc1 1874411693 IAKLIYATDCVRCY-ZVHZXABRSA-N 438.553 5.253 30 10 IKEE Cc1ccccc1CSc1nnc(CC(C)(C)C)n1/N=C/c1ccc(Cl)cc1Cl 1874437311 USDGOUKDKOSZGI-DHRITJCHSA-N 447.435 6.656 30 10 IKEE Cc1ccccc1CSc1nnc([C@@H]2CCCO2)n1/N=C/c1cccc2ccccc12 1874443427 BMEJOAWDHIXBSO-LRULAXNGSA-N 428.561 5.766 30 10 IKEE Cc1ccccc1CSc1nnc([C@@H]2CCCO2)n1/N=C/c1c(F)cccc1Cl 1874443553 FVJBRZGVOGVWBN-OGBFJMLUSA-N 430.936 5.405 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1/N=C/c1ccc(O)c(OCC)c1 1874476404 NLAGZVKTNUHVLB-ZVHZXABRSA-N 428.533 5.039 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc(OC)cc1OC 1874479481 CDCRQIZDHFMWCR-ZVHZXABRSA-N 444.988 5.466 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(C(C)C)cc1 1874509447 CTXQAGDWQUTMDA-DHRITJCHSA-N 430.980 6.321 30 10 IKEE O=C(/C=C/c1c(OCc2ccccc2)ccc2ccccc12)c1ccc(Br)cc1 1874574235 BYWAQHVRBUSIIC-FOCLMDBBSA-N 443.340 7.077 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 1874582965 PJPAHHGCQIZCCE-RIYZIHGNSA-N 449.934 7.021 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccccc2)cc1Br)Nc1ccccc1 1874614675 NQWOEZSUMBUVQK-ACCUITESSA-N 436.305 5.363 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(OC)c1OCc1ccc(C)cc1 1874623705 QVBNJMBPRVRAHY-FOCLMDBBSA-N 438.523 6.641 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(OC)c1OCc1cccc(F)c1 1874623930 CTYYHDKWFVGMRJ-MDWZMJQESA-N 434.507 6.441 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(OC)c1OCc1cccc(F)c1 1874627287 HYEOZPSMEQFGLW-DHZHZOJOSA-N 438.445 6.316 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccccc3-c3ccccc3)c2)cc1 1874697974 UHIBWPIITCPDJG-XMHGGMMESA-N 434.491 6.478 30 10 IKEE O=C(Oc1cccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1)c1cccc([N+](=O)[O-])c1 1874718247 FMHCSHXMDARRAW-JXMROGBWSA-N 442.254 6.017 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)ccc1OC(=O)CCCSC 1875109511 QZAHGYWNIHWADV-DHZHZOJOSA-N 428.550 5.347 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3ccc(/C=C/C(=O)c4ccccc4)cc3[N+](=O)[O-])c(C)c2c1 1875127084 NTGQCHMTLQVMCE-FMIVXFBMSA-N 440.455 5.808 30 10 IKEE CC(C)COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2Cl)cc1 1875127993 IUZNFINKEVYFMT-RIYZIHGNSA-N 434.919 6.490 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccccc3OC)cc2)cc1 1875137504 PIVVMOSYDWWJSR-LICLKQGHSA-N 446.499 5.365 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2ccccc2F)c([N+](=O)[O-])c1 1875143091 IQOXWRVTIPEUIE-CSKARUKUSA-N 449.434 5.095 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)c(F)c2F)c([N+](=O)[O-])c1)c1ccc(F)cc1 1875159411 CFWYNYHWQOCESW-XLUWADSXSA-N 445.324 5.267 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2[N+](=O)[O-])cc1 1875174839 LJWOJKLSYMNMLC-KPKJPENVSA-N 445.471 5.264 30 10 IKEE C=CC[C@@H](C)[C@@H](NC)c1sc(Br)c(Br)c1Br 1903133305 OETOYDLKYQHFBF-HZGVNTEJSA-N 432.019 5.508 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)C1(CNC(=O)OC(C)(C)C)CCC(C)CC1 1922123573 AWTNMFFHKNRQCV-BAOIDCNMSA-N 430.633 5.459 30 10 IKEE C[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)CCN1Cc1ccccc1 1949376815 FHMDDOXLFYZNCS-LVXARBLLSA-N 425.617 5.893 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H]1C[C@@]2(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1953300254 XXFVVEBFILEUGR-KSYXXAMZSA-N 441.572 5.009 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)cn1 1953307734 MIDXEJXGNLXYGS-IBGZPJMESA-N 438.528 5.431 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC[C@]2(C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 2032050241 GFWIOWWWEFUMGL-DMJCMNNJSA-N 447.620 5.486 30 10 IKEE COc1cc(C(=O)C(=Cc2ccc(C)s2)c2nc3ccccc3[nH]2)cc(OC)c1OC 2040458951 MGSXNUPALWYYAC-UHFFFAOYSA-N 434.517 5.382 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C1 2041560870 VWMOGYJRNRFMMY-OSPHWJPCSA-N 447.551 5.497 30 10 IKEE C=C(C(=O)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(C)(C)C 2071350075 VEAIPNZPLJTCQI-HHHXNRCGSA-N 430.544 6.049 30 10 IKEE CC[C@@H](c1ccc(C(F)(F)F)cc1)n1nc(C(F)F)c(C=NO)c1Br 2079934993 MKIORZDAZKDPLJ-NSHDSACASA-N 426.183 5.410 30 10 IKEE CC(C)c1ccc([C@@H](C)n2nc(C3(C)CC3)c(C=NO)c2I)cc1 2079971872 MXWLKZCSKJSCEW-CYBMUJFWSA-N 437.325 5.080 30 10 IKEE Cc1nn([C@@H](c2ccc(C(F)(F)F)cc2)C2(C)CC2)c(I)c1C#N 2080030419 MPHDHRIQFDOJMK-AWEZNQCLSA-N 445.226 5.076 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(C)c1Br)NCCC 2087876433 DVIQIVINRUPZMU-MSOLQXFVSA-N 425.411 5.138 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1c(Cl)cccc1Br 2094995587 VPHKVKPMRYTOEZ-QGZVFWFLSA-N 435.749 6.417 30 10 IKEE Cc1cc(Br)c(Cl)cc1NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2151201411 NXHSAAFOBLCCFE-UHFFFAOYSA-N 436.586 5.322 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CC12CCC(C#N)(Nc1ccc(Br)cc1)CC2 2158286446 VNYMFEAOPYGORJ-TVRCVXMWSA-N 434.378 5.228 30 10 IKEE CCN(Cc1ccccc1Nc1ccc(C#N)cc1Br)C(=O)OC(C)(C)C 2162416164 WRXQPIZRMUSPRX-UHFFFAOYSA-N 430.346 5.821 30 10 IKEE CC(C)(C)OC(=O)N1CCc2c(cccc2Nc2cc(Br)cc(C#N)c2)C1 2162420264 SLFIOYZWSARJSF-UHFFFAOYSA-N 428.330 5.358 30 10 IKEE CC[C@H]1CN(c2cc(Cl)c(C#N)cc2F)[C@@H](CC)CN1C(=O)OCc1ccccc1 2177391834 WAGLWFRJSJOGCK-OALUTQOASA-N 429.923 5.367 30 10 IKEE CC(C)(C)OC(=O)N1CCc2sccc2[C@H]1CNc1ccc(Br)cc1C#N 2194005473 JJLOKMVUDMAZNR-QGZVFWFLSA-N 448.386 5.329 30 10 IKEE CN(C(=O)OC(C)(C)C)[C@H]1CCCC[C@@H]1N(C)c1ccc(C#N)c(Br)c1F 2203604869 APCQZIZFJKSJJA-GJZGRUSLSA-N 440.357 5.074 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccc(C#N)cc2Br)C12CCCC2 2204293476 LYSXUMIZUXWKTC-GOSISDBHSA-N 434.378 5.445 30 10 IKEE CCN[C@@H](C#Cc1ccc(Cl)cc1)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 2212496530 ALDFETCKZXOLCF-QHCPKHFHSA-N 426.988 5.497 30 10 IKEE C=CCCCCCCC[C@@H](NCC)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2220092583 MSCXODXTIUZNJZ-JWQCQUIFSA-N 445.692 5.907 30 10 IKEE Cc1c(Cl)cc(CN2CCC(B3OC(C)(C)C(C)(C)O3)CC2)cc1Br 2231072565 NIFRIGASJZPHIV-UHFFFAOYSA-N 428.607 5.469 30 10 IKEE C[C@H](NC(=O)OC(C)(C)C)c1ccc([C@@H](O)C#Cc2ccccc2Br)cc1 2235742279 XIUIYIHKTRNLEW-YWZLYKJASA-N 430.342 5.120 30 10 IKEE CC#CCCCC[C@H](NC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237409426 OELAIMWMWVBEFJ-VQTJNVASSA-N 437.422 5.057 30 10 IKEE CCCC#CC[C@@H](NCCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248459109 UGQQRESDDVPHKF-HSZRJFAPSA-N 428.617 5.002 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)C2(C#N)CCCN(C(=O)OC(C)(C)C)CCC2)cc1 2257006555 BECSQXVWVIATBU-UHFFFAOYSA-N 443.588 5.810 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cccc(Cl)c1Br 2259399007 UZALSKFQGOUXTC-WBVHZDCISA-N 431.802 5.613 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2sc(Cl)cc2Br)cc1 2259913931 JGEBSLUMNJEFFO-AWEZNQCLSA-N 441.778 6.479 30 10 IKEE C[C@](O)(c1cc(Br)c(Br)s1)C1(C#N)CCC(F)(F)CC1 2281187456 BHNPGWLPVBQZTR-NSHDSACASA-N 429.124 5.200 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NC)c2cc(Br)cc(C(C)(C)C)c2)C1 2288654067 GTCYJYDMJMWBJL-SFHVURJKSA-N 437.422 5.621 30 10 IKEE O=C1C(=Cc2ccc([N+](=O)[O-])cc2)SC(=Nc2ccccc2)N1CCc1ccccc1 2297500542 RJKXINZOVBYZOZ-UHFFFAOYSA-N 429.501 5.442 30 10 IKEE CCOc1ccc(C=C2SC(=Nc3nc(-c4ccccc4)cs3)N(CC)C2=O)cc1 2314544230 WQEOIIPCQYXUJY-UHFFFAOYSA-N 435.574 5.833 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1cccc([N+](=O)[O-])c1 2318571500 LWLUFVFUSPLNKI-UHFFFAOYSA-N 431.521 5.467 30 10 IKEE O=C(O)c1ccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C2CC2)cc1 2320892246 YSEMOJIHAMBSFQ-UHFFFAOYSA-N 447.347 5.335 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2Cl)Oc2c1ccc1c2CN(C2CCCCC2)CO1 2322016298 MOGFRQFINYEKNX-UHFFFAOYSA-N 430.331 6.094 30 10 IKEE Cc1ccc(CCN2COc3cc(C)c4c(c3C2)OC(=Cc2ccc(F)cc2)C4=O)cc1 2322220617 YDPRNGRTMYRAMZ-UHFFFAOYSA-N 429.491 5.453 30 10 IKEE Cc1ccsc1C=C1Oc2c(cc3c(c2C)OCN(CCOc2ccccc2)C3)C1=O 2322339141 OJFYYWCNEYEUMV-UHFFFAOYSA-N 433.529 5.212 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccc(C)cc2C)cc1 2322391270 HGJUBKKZGHDTEE-UHFFFAOYSA-N 441.571 6.560 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C)cc2)c1OCc1c(Cl)cccc1Cl 2322601453 YAEMVVYPTXSHEW-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE Cc1c(OC(=O)c2ccco2)ccc2c1OC(=Cc1cccc(Br)c1)C2=O 2322659498 HWIQMCSFUOVKOW-UHFFFAOYSA-N 425.234 5.186 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cc(Cl)ccc1OCC(=O)OCC(C)C 2322856436 BUNDSJSBTLEKPC-UHFFFAOYSA-N 430.928 5.440 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1OCc1ccc([N+](=O)[O-])cc1 2323230716 YHWRMOKFKMQUOJ-UHFFFAOYSA-N 425.387 5.357 30 10 IKEE Cc1c(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)cccc1[N+](=O)[O-] 2323260291 QBSMDTCLTIIBBD-UHFFFAOYSA-N 443.455 5.862 30 10 IKEE CCCN(CCC)C(=O)COc1cccc(C=CC(=O)c2cc(Cl)cc(C)c2OC)c1 2323299899 HNLZVYHNSKCTFS-UHFFFAOYSA-N 443.971 5.581 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)cc3C)c(Cl)c2)cc1 2323464870 WIDFBVIJQCMCSS-UHFFFAOYSA-N 447.962 6.433 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)ccc1OCc1cccc2ccccc12 2323647139 KKXZVCSKOIMWGU-UHFFFAOYSA-N 438.523 6.722 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1Cl)Nc1ccc(F)cc1 2323790604 VVBIGFAGAFGCGV-UHFFFAOYSA-N 444.289 6.046 30 10 IKEE COc1ccc(-c2csc(NN=Cc3cc(Cl)c(OC(C)C)c(Cl)c3)n2)cc1 2323858276 ATNBNOZMFZWDLM-UHFFFAOYSA-N 436.364 6.359 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(Br)c1OCCO 2324070610 SFRNPJXDECQRPH-UHFFFAOYSA-N 433.342 5.022 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc(C=CC(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])c1 2324190769 JMZHARDQIYYFAZ-UHFFFAOYSA-N 448.450 5.264 30 10 IKEE CCCNC(=O)COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc1Cl 2324220842 UQGBUZSUENVXCE-UHFFFAOYSA-N 443.971 5.447 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1cccs1)C2=O 2324510704 QRRIMYHQQXIKLE-AWEZNQCLSA-N 439.920 5.732 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(OCCCOc4cccc(C)c4)c3C)C2=O)cc1 2324567696 LBNAMUKMBPNAFU-UHFFFAOYSA-N 444.527 6.166 30 10 IKEE COc1cccc(C=C2Oc3cc(OCCCCOc4ccc(C)cc4)ccc3C2=O)c1 2324585189 UDUWKDNYOLPYAK-UHFFFAOYSA-N 430.500 5.858 30 10 IKEE Cc1ccc(OCCCCOc2cc(C)c3c(c2)OC(=Cc2ccccc2F)C3=O)cc1 2324588774 YAPOKQVZJOQHOZ-UHFFFAOYSA-N 432.491 6.297 30 10 IKEE Cc1ccccc1OCCCCOc1ccc2c(c1C)OC(=Cc1ccccc1Cl)C2=O 2324598937 KFLNFSHIUYUCCF-UHFFFAOYSA-N 448.946 6.811 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3C)cc2)cc1Cl 2324608282 HVZHWIFUUMMSIY-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE CCc1ccc(OCCCOc2ccc3c(c2C)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2324665376 IDFCPMBONLWNQS-UHFFFAOYSA-N 448.946 6.675 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OCCOc3ccc(C(C)(C)C)cc3)ccc2C1=O 2324685771 PLURALZBQWOEFK-UHFFFAOYSA-N 428.528 6.367 30 10 IKEE CCCOc1c(Cl)cc(C=CC(=O)c2ccc(OC)c(OC)c2OC)cc1OCC 2324722251 NZQPANFULNMDBW-UHFFFAOYSA-N 434.916 5.449 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@H](C#N)C(=O)C=Cc2ccc([N+](=O)[O-])cc2)n1 2324851103 KIAKTVYCGCFPDN-QGZVFWFLSA-N 439.880 5.270 30 10 IKEE CCOc1ccc(C=Nn2c(CC)nnc2SCc2ccc(Cl)c(Cl)c2)cc1 2325610409 FLSAADZOHABMOI-UHFFFAOYSA-N 435.380 5.721 30 10 IKEE CCCOc1c(C=Nn2c(C)nnc2SCc2ccccc2Cl)cccc1OC 2325631194 CENHETMGFOQKFM-UHFFFAOYSA-N 430.961 5.212 30 10 IKEE CCCCc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccco2)C3=O)cc1 2325719653 IQDZSLZSXJMCLG-UHFFFAOYSA-N 431.488 5.564 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4C(C)C)ccc3C2=O)c1 2325726132 QATRIQUIRONHDX-UHFFFAOYSA-N 427.500 5.752 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1cccc(C=CC(=O)c2cccc3ccccc23)c1 2325749888 IMKXRURCUHHQCJ-UHFFFAOYSA-N 442.898 6.617 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1ccccc1Cl 2327186012 PUUCVOVEQFECRE-UHFFFAOYSA-N 441.000 5.802 30 10 IKEE C=CCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1cccc(OCCC)c1 2327770678 XRSXYGDBWMFIBJ-UHFFFAOYSA-N 442.588 5.971 30 10 IKEE CCCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(C(=O)O)cc1 2327771892 OGNUQSTYEVVYQT-UHFFFAOYSA-N 430.533 5.105 30 10 IKEE C=CCSc1nnc(CCc2ccccc2OC)n1N=Cc1ccc(Cl)c(Cl)c1 2328699628 QNJWULUMRZGDMU-UHFFFAOYSA-N 447.391 5.539 30 10 IKEE Cc1ccc(C=Nn2c(COc3ccccc3)nnc2SCc2cccc(F)c2)cc1 2329898710 FICPPGNMVZXEKV-UHFFFAOYSA-N 432.524 5.479 30 10 IKEE COc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccccc2F)cc1 2330272784 NMMDVGQYUAMVLR-UHFFFAOYSA-N 438.572 5.723 30 10 IKEE COc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCCc2ccccc2)cc1 2330275744 OBGDOMYIKZHKBE-UHFFFAOYSA-N 434.609 5.627 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)C=Cc1cccc([N+](=O)[O-])c1 2330608697 LIVCITFVXURODO-JOCHJYFZSA-N 431.577 5.150 30 10 IKEE Cc1cccc(C=Nn2c(SCC(=O)Nc3ccccc3F)nnc2-c2ccccc2)c1 2330627843 DSUWCQFQCUZGMQ-UHFFFAOYSA-N 445.523 5.006 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)Cc1ccc(F)c(C)c1 2331077640 OUFXTSNAWRWVIS-UHFFFAOYSA-N 448.490 5.586 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3F)cc2)cc1 2331084613 QGHRYMPECJWGOC-UHFFFAOYSA-N 436.454 5.934 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CCCC2)c1 2331086977 LMWUBFAWKIKLRE-UHFFFAOYSA-N 441.000 6.162 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OC(=O)c1ccc(Cl)cc1 2331106160 QBOQDSNCOQNVPW-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE Fc1ccc(CSc2nnc(C(F)(F)F)n2N=Cc2c(F)cccc2Cl)cc1 2331115898 JRJKHYCFDYOXMM-UHFFFAOYSA-N 432.805 5.403 30 10 IKEE CCCSc1nnc(C(F)(F)F)n1N=Cc1ccc(OCc2ccccc2C)cc1 2331146260 MPVJYSXWPICQFC-UHFFFAOYSA-N 434.487 5.569 30 10 IKEE Cc1cccc(C)c1OCCCC(=O)Oc1ccc(C=CC(=O)c2ccccc2)cc1Cl 2331165961 XVMMWBUBAVHNES-UHFFFAOYSA-N 448.946 6.618 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3OC)c([N+](=O)[O-])c2)cc1 2331201161 UYLFXXVHYPBFGP-UHFFFAOYSA-N 447.443 5.117 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3C)c(Br)c2)cc1 2331271331 JMTNAXPNZCDAOR-UHFFFAOYSA-N 435.317 6.181 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)c3ccccc3)c(Br)c2)cc1 2331273508 KSHPXILPBXDAHM-SFHVURJKSA-N 449.344 6.363 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)CCc2ccccc2)c(Cl)c1 2331358942 IAFONRUOYGHMIH-UHFFFAOYSA-N 434.919 6.091 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2cc(C)ccc2OC)cc1Br 2331361389 QWSFNKUCHFUQPC-UHFFFAOYSA-N 431.326 5.758 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(CC(C)C)n2N=Cc2ccc(C(C)C)cc2)c1 2331438043 UBJPRDIPHAFQNR-UHFFFAOYSA-N 449.624 5.521 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)cc(Br)c1OC(=O)C(C)C 2331537754 VXKIUZHASHVFLD-UHFFFAOYSA-N 435.289 5.444 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3)c(Cl)c2)c(C)c1C 2331613487 UXDYDYYPINABKW-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCc3nc(O)c4ccccc4n3)nnc2C(C)C)cc1 2331706952 VUAMJLLOWJJJST-UHFFFAOYSA-N 446.580 5.348 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc([N+](=O)[O-])c1OC(=O)c1ccccc1 2331708451 OVEKFOBMQXUSJN-UHFFFAOYSA-N 445.471 5.726 30 10 IKEE C#CCN(C[C@@H](NCCC)c1cc(Cl)cc(Br)c1F)C(=O)OC(C)(C)C 2337102932 SIIBMQZMCGYIFW-MRXNPFEDSA-N 447.776 5.153 30 10 IKEE COC1(C#C[C@@H](N)c2ccc(Br)cc2NC(=O)OC(C)(C)C)CCCCC1 2363725049 JWFIWVQTDJFBCZ-QGZVFWFLSA-N 437.378 5.149 30 10 IKEE CCc1cccc(CC)c1N(C(C)=O)c1nc(/C=C2\COc3ccccc3C2=O)cs1 14199608 CDUGZMACUNZMLE-CPNJWEJPSA-N 432.545 5.611 30 10 IKEE COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)cc1Cl 21221591 SVLXZWZSESYNRK-QLXKLKPCSA-N 448.925 6.467 30 10 IKEE C=CCNC(=O)c1cncn1-c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 23432381 XPRJWMZAXXJQRR-UHFFFAOYSA-N 439.359 5.493 30 10 IKEE Cc1cc(C)cc(N/C(=N\C(=O)c2cccc(Cl)c2)NCCc2c[nH]c3ccccc23)c1 32943056 DHGSSJLJYUFOBS-UHFFFAOYSA-N 444.966 5.879 30 10 IKEE COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccc(SC)cc2)ccc1O 33026450 ITOCUDZKPBQEBU-QMHKHESXSA-N 448.544 5.377 30 10 IKEE O=C(/C=C\c1ccccc1Oc1c(F)c(F)nc(N2CCOCC2)c1F)c1ccccc1 33733319 PGZPXOLVWIKSEO-KHPPLWFESA-N 440.421 5.024 30 10 IKEE C=CCOc1ccc(/C=C2\SC(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)cc1 39860867 HBELFTQZQKDSBB-YVLHZVERSA-N 439.842 6.165 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3cc(OC(=O)c4ccc(C)cc4)cc(C)c3C2=O)c1 41284344 JJXGQDWFRUAFNL-QRVIBDJDSA-N 430.456 5.156 30 10 IKEE COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OCc3ccccc3C)cc(C)c2C1=O 41433100 TXWAXTIACJIDLW-ROTLSHHCSA-N 446.499 5.524 30 10 IKEE Ic1ccc(-c2ccc(/C=N/c3ccc4c5c(cccc35)CC4)o2)cc1 59502688 TZWQQGOBWUMGEG-AFUMVMLFSA-N 449.291 6.554 30 10 IKEE COc1ccc2ccccc2c1/C=C1\S/C(=N/c2cccc(Cl)c2Cl)NC1=O 59566624 MGKBVXMPTMXDGF-WQRHYEAKSA-N 429.328 6.047 30 10 IKEE C=C(C)COc1ccc(NC(=O)CNc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)cc1 66109099 LPDQWQFRJPBCEW-FQEVSTJZSA-N 443.547 5.183 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2cccc(C(=O)NC3CCCCC3)c2)cc1 100274972 XJGIQPDREUEAGA-UHFFFAOYSA-N 436.596 6.351 30 10 IKEE O=C(O)c1cccc(/N=C2/S/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)N2c2ccccc2)c1 101133228 BCASDCMZFRXGEL-RLYGRLLTSA-N 445.456 5.102 30 10 IKEE O=C(c1ccccc1Cl)c1cc(Cl)ccc1/N=C/c1cc(Br)ccc1O 101339567 QGOJPMZZECMTCD-BHGWPJFGSA-N 449.131 6.443 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(N2CCC[C@@H](C)C2)c1N 101514318 MUHISWRHSZLFFZ-HSZRJFAPSA-N 431.713 7.188 30 10 IKEE CCCCCCCCCCCCCCCC(=O)O[C@H](c1ccccc1)[C@@H](N)C(=O)OCC 106796054 OUVBUIRXQDERDF-CLJLJLNGSA-N 447.660 6.643 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccc(Cl)cc2)c1 169969748 IAKBKDFHXOCZBD-OAQYLSRUSA-N 438.310 6.085 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccc(OC(C)C)cc1 169978686 YNOIYLMFNNGHIK-XMMPIXPASA-N 446.547 5.724 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccncc2)cc1Cl 170021450 XFXTYQRUBDKVQB-JOCHJYFZSA-N 443.890 5.308 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2C2CCCCC2)cc1 170031538 SXYPUUCYTFLQIB-DEOSSOPVSA-N 444.531 5.478 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2C2CCCCC2)cc1 170031769 ZUVXAKRFAYAQNJ-HSZRJFAPSA-N 437.511 5.444 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(Cl)cc2)c1 170059804 KILWLOFKVFIZLJ-OAQYLSRUSA-N 425.912 5.260 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccc(F)cc2)cc1C 170061460 LSHNSQJIVOENEO-XMMPIXPASA-N 445.490 5.542 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@@H]2c2ccc(C)o2)cc1 170101059 SJJWQINPKPJPFI-HXUWFJFHSA-N 425.843 5.472 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1Cc1ccc(F)cc1 170108063 AQGFDQWYTICBFE-IBGZPJMESA-N 441.911 5.628 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(OC)cc1 170116660 DILVVDFDXCAQEW-XMMPIXPASA-N 429.516 5.617 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2OC)cc1C 170123880 JPJVYGNIRHRXLA-XMMPIXPASA-N 449.547 5.313 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC(C)C)c3)[C@@H]2c2cccs2)c1 170156471 LFXMTKMZKQGPBI-QHCPKHFHSA-N 447.556 5.874 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccs2)cc1C 170161293 BRVLZKVXUYRGCA-JOCHJYFZSA-N 444.512 5.028 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2cccnc2)ccc1Cl 170185078 ZPZFVPWUXLYOQD-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2ccccc2)cc1 170224424 ZHXGZOAXRUSOLV-VWLOTQADSA-N 439.511 5.357 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@H]1c1ccc(Cl)cc1 170236136 MCCRDEZTPNAYPK-LJQANCHMSA-N 434.319 5.380 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)N(C)CCO3)[C@@H]1c1ccc(C(C)C)cc1 170245259 HSRRBRGUOJGBMC-DEOSSOPVSA-N 448.563 5.017 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@@H]1c1ccc(C(C)C)cc1 170245989 RWGVJKBIZHITAI-VWLOTQADSA-N 447.575 5.904 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccco2)c1 170279158 PAQHJWAIYIGXJQ-DEOSSOPVSA-N 439.467 5.614 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccc3ccccc23)cc1 170369800 SDKNSMNBYZISPV-QHCPKHFHSA-N 441.508 5.693 30 10 IKEE Cc1cc2sc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@H]3c3cccs3)nc2cc1Cl 170478543 WYCNRLMEVHWRMC-GOSISDBHSA-N 446.981 5.835 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc(OCc3ccccc3)cc2)[C@H]1c1cccnc1 170480997 KMTJYQBDTMTASG-QHCPKHFHSA-N 442.515 5.176 30 10 IKEE Cc1c(N=Cc2nn(-c3ccccc3)cc2-c2ccccc2)c(=O)n(-c2ccccc2)n1C 252596079 CGVSUPFFPUQZOJ-UHFFFAOYSA-N 433.515 5.088 30 10 IKEE CCOc1ccc(N=C2S/C(=C/c3cc(Br)ccc3O)C(=O)N2CC)cc1 252596340 CILVFJKZIRTHOJ-FNLGWUMESA-N 447.354 5.177 30 10 IKEE CCOc1ccc(N=C2S/C(=C\c3cc(C)n(C)c3C)C(=O)N2C2CCCCC2)cc1 252612919 IXCUEUGQJZAPJT-ZYITZIQLSA-N 437.609 5.977 30 10 IKEE COc1ccc(C=NNC(=S)N[C@@H]2C[C@H](C)CC(C)(C)C2)cc1OCc1ccccc1 254744962 JZZUWEHFCXEDNH-GHTZIAJQSA-N 439.625 5.287 30 10 IKEE FC(F)Oc1ccccc1N=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 254749473 SLRQZIGEKBMWAX-UHFFFAOYSA-N 447.441 5.663 30 10 IKEE O=C(NC1CCCC1)c1ccsc1N=Cc1cn(Cc2ccccc2)c2ccccc12 254838223 KLGGJIABGQYAFT-UHFFFAOYSA-N 427.573 6.174 30 10 IKEE Oc1ccc2ccccc2c1C=Nn1c(-c2ccccc2F)csc1=NC[C@H]1CCCO1 254867325 FXLBHEGZRSUEMV-GOSISDBHSA-N 447.535 5.176 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1cccc(C(F)(F)F)c1 526821473 USHPFXXVYQQQDE-VYYCAZPPSA-N 440.494 6.187 30 10 IKEE C=CCCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586251638 OVRSSLRWJLYVKB-UHFFFAOYSA-N 449.616 6.335 30 10 IKEE N#Cc1cc(Br)ccc1Oc1nc(Br)c(Br)s1 686907875 TXDBUWLIAOWWKF-UHFFFAOYSA-N 438.926 5.095 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCN(C(=O)OC(C)(C)C)CC2)c1 704042945 LXBKPWHZGMTYSK-DEOSSOPVSA-N 445.560 5.120 30 10 IKEE CC[C@](C#N)(C1CN(C(=O)OC(C)(C)C)C1)N(C(=O)OC(C)(C)C)c1cccc(C)c1 716118800 CQLYESGSXIYPPD-DEOSSOPVSA-N 429.561 5.276 30 10 IKEE Cc1nc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)sc1Br 719322831 VAYXWDLKIJNCAC-CYBMUJFWSA-N 426.311 5.360 30 10 IKEE Cc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)c(C)c1Br 719525229 QSQFBPUKWXFKLC-LJQANCHMSA-N 435.406 6.591 30 10 IKEE CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCOS(=O)(=O)c1ccc(C)cc1 888086080 ZFYBBEUXRLQRTA-JEBPEJKESA-N 442.665 7.622 30 10 IKEE C=C[C@](C)(/C=C/[C@H](C)CC/C=C(\C)CC[C@@H](C)C(=C)C)CC/C=C(\C)CC[C@H](C)C(=C)C 936069511 YIERDWVPDSIPLW-RPKBJTLKSA-N 438.784 10.809 30 10 IKEE in-vitro Cc1c(OC(=O)Nc2ccccc2)ccc2c1CCCC2=NOC(=O)Nc1ccccc1 1084442146 SEZFYNXREFHIAH-UHFFFAOYSA-N 429.476 5.895 30 10 IKEE C=CCCCn1c(C2CCCC2)nnc1N1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 1740874060 LZJMJBCYIYWCLC-HXUWFJFHSA-N 439.604 5.000 30 10 IKEE Fc1c(F)c(F)c(-c2cc(C(F)(F)F)ccc2I)c(F)c1F 1848359686 OFSPKTNQBIJGMN-UHFFFAOYSA-N 438.055 5.673 30 10 IKEE C=CCN(CC=C)c1cc(-c2cc3cnccc3c(NCc3ccccc3Cl)n2)ccn1 1857836931 HTDSESPTCZLHJW-UHFFFAOYSA-N 441.966 6.136 30 10 IKEE C=CCN(CC=C)c1nc(-c2ccnc(NCc3ccc(Cl)cc3)c2)cc2cnccc12 1857844359 XESMFWSVELEBHA-UHFFFAOYSA-N 441.966 6.136 30 10 IKEE N#Cc1ccccc1NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)n(-c2ccccc2)n1 1859389016 ACAPKAUGASKSNJ-UHFFFAOYSA-N 433.298 5.970 30 10 IKEE CCCCCCCCCCNC(=O)c1cc(C(C)(C)C)nc2c(Br)cccc12 1859577743 MXIDEKYDEBJQKT-UHFFFAOYSA-N 447.461 7.165 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCSC)NC(=O)c1ccccc1OCC(C)C 1861358887 JHFSHMVLXJIGTF-NRFANRHFSA-N 436.662 5.050 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)/C=C/c1ccc(OCC)cc1 1861584034 OHNCVWJDFGMATO-GDNFTRMYSA-N 430.633 5.640 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)COc1ccc(Cl)c(C)c1 1861639144 LONZQPVXMCRZMI-NRFANRHFSA-N 425.013 5.179 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)CCCOc1ccccc1C 1861706048 XBPYCGBWSKSSIG-QHCPKHFHSA-N 430.633 5.402 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2[C@@H](C)CC)c1 1862383502 LIJQJICDQHIIDM-RBZFPXEDSA-N 448.346 5.769 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2cccc3ccccc23)cc1 1862397786 SCVHOFIYYOKXCQ-CJAUYULYSA-N 443.543 5.142 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1cc(Cl)cc(Cl)c1 1862415671 CQNMGLVWCMBQNG-QGZVFWFLSA-N 426.246 5.258 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CC(C)C)cc1 1862437316 OHHRLHPXEYJWMT-NRFANRHFSA-N 427.928 5.363 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862477645 ZIWUTZLKBFYGPJ-UUOWRZLLSA-N 427.500 5.343 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862488861 JYZOIJCIGGTECT-SANMLTNESA-N 439.555 5.953 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2cccc3ccccc23)c1 1862560979 LHRGHIVCWUGISL-SANMLTNESA-N 448.522 5.243 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862595481 MSXHMCFZDNRMLO-RUZDIDTESA-N 447.575 6.207 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1ccccc1 1862637409 YADJUXVGNHJVNR-WMZHIEFXSA-N 439.527 5.772 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccc1Cl 1862652776 LDFZDKBAAJKSJA-DEOSSOPVSA-N 447.962 6.652 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(O)cc1 1862687437 LDCLWVFVWBOIES-CVDCTZTESA-N 437.536 5.338 30 10 IKEE CC(C)c1ccc(NC2=C(c3ccccc3Cl)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1863077473 OQEYTVVNDBXGSA-UHFFFAOYSA-N 441.918 5.732 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Cl)c(C(F)(F)F)c2)=C(c2ccc(Cl)cc2)C1=O 1863166069 XRDPNYIQTRTGEZ-UHFFFAOYSA-N 441.236 5.390 30 10 IKEE CCCCCCCCN1C(=O)C(NC[C@H]2CCCO2)=C(c2cccc3ccccc23)C1=O 1863583816 PDAAIKHVZMMJGF-OAQYLSRUSA-N 434.580 5.049 30 10 IKEE C=CCN1C(=O)C(NCCCCCCCCCC)=C(c2ccc(OC(C)C)cc2)C1=O 1863695259 AXSRVGVXAKOYNO-UHFFFAOYSA-N 426.601 5.470 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(-c2cccc(C)c2)cc1 1866029967 RQXWSQSDCRGYCX-UHFFFAOYSA-N 449.723 9.862 30 10 IKEE Cc1ccc([C@@H](C(=O)N[C@H](C(=O)Nc2ccc(C#N)cc2)c2ccccc2)C(C)C)cc1 1866960413 OPJIGDRNTVYZAW-DQEYMECFSA-N 425.532 5.103 30 10 IKEE C=CCn1cc(OCCC(C)C)c(=O)cc1CSc1nc2ccccc2n1CCC 1870234054 UNTYVNBHOHOPCW-UHFFFAOYSA-N 425.598 5.511 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCCCCC)cn1CCc1ccc(F)cc1 1870674842 UUAMRPVSIPBXOL-UHFFFAOYSA-N 426.576 5.363 30 10 IKEE CCCCCCCOc1cn(CCCCCO)c(CNc2cc(C)ccc2C)cc1=O 1870838286 WYTRYANZUGTRDJ-UHFFFAOYSA-N 428.617 5.589 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2)c(=O)cc1CNc1cccc(C)c1C 1870898579 YVPJATFFHBOCKJ-UHFFFAOYSA-N 446.635 7.017 30 10 IKEE CCOCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1cn(CC)c2ccccc12)C3=O 1871350700 QIHXFXQUIFAAGV-OYKKKHCWSA-N 446.547 5.164 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(ccc4c3CN(C3CCCCCC3)CO4)C2=O)cc1 1871352144 RPNULGPBZHTCCR-ONUIUJJFSA-N 446.591 6.024 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 1871368858 RSTRLBQISFQOSX-DBNOJDJKSA-N 430.887 6.051 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\C=C\c2ccccc2)C3=O)cc1[N+](=O)[O-] 1871375902 JGOGTAQGVOVJLS-FYPXMSKISA-N 441.439 5.603 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc4nc(C)c(C)nc4c3)ccc2C1=O 1871378911 HCDACXXHURNCNB-MXAYSNPKSA-N 436.467 5.390 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)cc1 1871387019 DLLVYBNAGKZPFF-HMAPJEAMSA-N 445.427 5.137 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)c1 1871387222 KNQUPQGJPBOVOT-OYKKKHCWSA-N 443.499 5.295 30 10 IKEE CCCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871390844 LTEDFFIBRBMUJO-UCQKPKSFSA-N 446.430 5.367 30 10 IKEE O=C1/C(=C/c2c(Cl)cccc2Cl)Oc2cc(OCCOc3ccccc3)ccc21 1871398199 CAXLFDMWGVLAOI-HMAPJEAMSA-N 427.283 6.067 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O)Nc1cccc2ccccc12 1871452714 PEJZEYZRCNQXHS-QFEZKATASA-N 439.442 5.613 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4cccc(Cl)c4)c3C)C2=O)cc1 1871454052 ABYQMMQWJQZPMR-UUYOSTAYSA-N 449.890 5.291 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4Cl)ccc3C2=O)cc1 1871455467 NRUKCPUWOHNKEA-QRVIBDJDSA-N 433.891 5.536 30 10 IKEE C=CCN([C@H](C(=O)Nc1cccc(C)c1C)[C@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872521667 MQYDCBOQTYOZEE-KOSHJBKYSA-N 442.625 5.150 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1 1872770376 RHWVIRWUZVXJBA-INIZCTEOSA-N 441.896 5.651 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(C)cc3)n2)cc1C(C)C 1872780013 XSOQGXKXENHGJN-NELJVSICSA-N 430.573 6.449 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc([N+](=O)[O-])cc3)n2)c2ccccc12 1872788560 LGAFNAKIXYIYKF-IBGZPJMESA-N 429.457 5.370 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cccc(OCC)c2)=C(c2cccnc2)C1=O 1873265453 KUQBDHZIOYJQFN-UHFFFAOYSA-N 449.595 5.813 30 10 IKEE C=CCn1c(C(=O)Nc2cc(C(C)C)cc(C(C)C)c2)cc2c(NCCCOC)ncnc21 1873607775 STNWTPIKGQGYSQ-UHFFFAOYSA-N 449.599 5.565 30 10 IKEE C=CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1cccs1 1874203138 MFLJXEVOBLDJIN-OEAKJJBVSA-N 426.611 5.685 30 10 IKEE CCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccccc1[N+](=O)[O-] 1874233227 XXICJPHWJCXUCB-LFVJCYFKSA-N 431.521 5.119 30 10 IKEE C=CCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1cccc(OCCC)c1 1874279517 KFEXOHWIZRYBFL-KOEQRZSOSA-N 441.000 5.666 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccc(Cl)cc3)n2/N=C/c2ccc[nH]2)c1 1874282458 ZGSAFLRERXVKSK-CVKSISIWSA-N 435.984 5.528 30 10 IKEE C=CCSc1nnc(COc2c(C)cccc2C)n1/N=C/c1ccc(Cl)cc1Cl 1874300177 JTGCTAAFVMBBLF-WYMPLXKRSA-N 447.391 5.941 30 10 IKEE CCCSc1nnc(CCc2cccc(OC)c2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874310929 VEFMLKSFJLJQCR-CVKSISIWSA-N 448.514 5.475 30 10 IKEE CCSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1ccc(Br)cc1 1874326866 JZOZONUXJMWGBY-WSDLNYQXSA-N 445.386 5.231 30 10 IKEE Cc1cccc(/C=N/n2c(CCOc3ccccc3)nnc2SCc2ccc(F)cc2)c1 1874344749 DIDOLSGSGVZURJ-WPWMEQJKSA-N 446.551 5.522 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2C)n1/N=C/c1cccc(F)c1 1874361612 XQCGEHMMBWBMAL-OGLMXYFKSA-N 444.579 5.994 30 10 IKEE C(=N/n1c(CC2CCCCC2)nnc1SCc1cccc2ccccc12)\c1ccc[nH]1 1874409422 WNZVSAPHTHJISZ-WPWMEQJKSA-N 429.593 6.057 30 10 IKEE C=C(C)CSc1nnc(Cc2cccs2)n1/N=C/c1cccc(OC)c1OCCC 1874412663 UNNXVJXFZBFANO-OEAKJJBVSA-N 442.610 5.278 30 10 IKEE Cn1cc(/C=N/n2c(SCc3cccc(F)c3)nnc2C(F)(F)F)c2ccccc21 1874460685 AUDRVBHQWOKJNV-KIBLKLHPSA-N 433.434 5.102 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccco3)n2/N=C/c2ccc3c(c2)OCCO3)c1 1874466902 IABPCUYYDAXYRR-AFUMVMLFSA-N 446.532 5.101 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccccc3)nnc2C2CCC2)cc1OCC 1874495361 HJNLTYLJXKDBNM-PCLIKHOPSA-N 436.581 5.518 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CCC2)c(OC)c1 1874495721 AVIXTLVEQDJEFF-ZMOGYAJESA-N 442.972 5.391 30 10 IKEE CCCOc1cccc(/C=N/n2c(CC)nnc2SCc2c(F)cccc2Cl)c1 1874529270 ZVVQMWBVBSEXDX-ZMOGYAJESA-N 432.952 5.596 30 10 IKEE Cc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(Br)cc1 1874533661 VHHIHSMVLJGFGZ-YDZHTSKRSA-N 437.366 5.677 30 10 IKEE Clc1cccc(CSc2nncn2/N=C/c2ccc(OCc3ccccc3)cc2)c1 1874540441 OZSVRAWEOHWBKU-VULFUBBASA-N 434.952 5.685 30 10 IKEE CC(C)Oc1cccc(/C=N/n2c(S)nnc2COc2cc(Cl)ccc2Cl)c1 1874570212 OSEBHXAOLBAXHV-LSHDLFTRSA-N 437.352 5.122 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(Br)cc1/C=C/C(=O)c1ccccc1 1874578281 FVKONBVLJSHPDW-ZRDIBKRKSA-N 444.369 5.373 30 10 IKEE O=C(/C=C/c1cc(Br)ccc1OCc1cccc2ccccc12)c1ccccc1 1874578538 SIZKKNZEIORECI-FYWRMAATSA-N 443.340 7.077 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 1874614558 RVMUIXVIMHTFFK-KPKJPENVSA-N 439.870 5.401 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)c([N+](=O)[O-])c2)cc1 1874616093 JHHTWULDERBJMH-UXBLZVDNSA-N 444.487 5.434 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OCc1cc(C)ccc1C 1874616400 XZGSKVDGJOCUMX-JLHYYAGUSA-N 434.963 7.139 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)c1)c1ccccc1Cl 1874696774 LKCDMQORAVRLCO-NOBHMXGUSA-N 437.322 6.599 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OC(=O)CCCOc1ccccc1 1874702959 SHDLOJFDUFWDSB-FOWTUZBSSA-N 430.500 5.664 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc(OC)cc3)c2)c1 1874713376 SPVNYUPAPZYDJU-OQLLNIDSSA-N 446.499 5.608 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OC(=O)c1ccc(C(C)(C)C)cc1 1874713546 CDKZWBYXGPNVRV-OVCLIPMQSA-N 442.555 6.725 30 10 IKEE CCc1ccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)cc3OC)c2)cc1 1874714112 FBMLQMZGGFGQPS-FOWTUZBSSA-N 444.527 5.701 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(OC(C)C)cc2)CSc2nnc(C)n21 1874825729 SWYVFSKXBYUKHJ-NRFANRHFSA-N 430.618 5.436 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3Cl)cc2Cl)cc1 1875113613 PMZKEAHVLVYXTE-ZRDIBKRKSA-N 425.311 6.346 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)COc1ccc(C)c(C)c1 1875119611 CXGVGQPHJTXRPV-JLHYYAGUSA-N 446.499 5.201 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)c1cccc(F)c1 1875121117 AAAIORYUELHGPN-MDZDMXLPSA-N 440.854 5.612 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)Cc1ccccc1 1875121714 DRNAYOUBHIOWGR-BUHFOSPRSA-N 446.930 6.121 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC(=O)Cc1ccc(F)cc1 1875126490 LAOJRHFUDNTMDH-WLRTZDKTSA-N 438.882 5.922 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)Cc1ccc(Cl)cc1 1875128694 PNTRMAHJIAQMCM-NTCAYCPXSA-N 446.930 6.121 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2Cl)cc1 1875131602 GMRRDSIIFYLBED-LFYBBSHMSA-N 448.902 5.997 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cncc(C)c3)c(OCC)c2)cc1 1875139001 NDUFATXTGVYLGC-WUXMJOGZSA-N 445.515 5.693 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccccc2C)cc1 1875168289 VRSOJBFYSPTCPR-FMIVXFBMSA-N 441.310 6.426 30 10 IKEE Cc1cccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)cc2)c1C 1875168887 ZCDMPRQWFUBTOJ-NTCAYCPXSA-N 442.555 6.418 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc1OC 1875187215 UPPLEYRPPQNQJO-MDZDMXLPSA-N 430.928 5.966 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)CC(C)(C)C)c([N+](=O)[O-])c2)cc1C 1875187499 BXZBRFKJTCNFCA-VQHVLOKHSA-N 425.481 5.458 30 10 IKEE CN(CC#CCNC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)cc1)Cc1ccccc1 1891706932 RURTUYVKBXXCKH-UHFFFAOYSA-N 437.370 5.526 30 10 IKEE C=C(C)C[C@H](NCC)c1sc(Br)c(Br)c1Br 1902378453 FUTQVTZUHIUMDY-ZETCQYMHSA-N 432.019 5.652 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)C(C)(C)C1CCN(C(=O)OC(C)(C)C)CC1 1922107271 KOAOAGYBZIWHAJ-HSZRJFAPSA-N 430.633 5.411 30 10 IKEE N#Cc1cc([C@@H](CCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1F 1951675705 QGJIXQQPRXYONQ-XMMPIXPASA-N 444.462 5.142 30 10 IKEE C=CC[C@H](C)[C@H](NCCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997462227 RUMJUKOWPDJUFZ-RZPFDVGOSA-N 430.633 5.411 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)C1(CCNC(=O)OC(C)(C)C)CCCC1 1999584154 XDDNPNDXZDGCIM-HSZRJFAPSA-N 430.633 5.603 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)[C@H]2CC[C@@H]21 2057585621 MFJXEFILCOAWNU-READRUSDSA-N 445.535 5.249 30 10 IKEE C=CCC[C@@H](C)C(=O)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071349800 SHMMLFFYBOOVKK-LYZGTLIUSA-N 430.544 6.049 30 10 IKEE Cc1ccc([C@@H](n2nc(C(C)C)c(C#N)c2I)C2(C)CC2)c(C)c1 2079016217 IXPOMXLYTGXSSY-GOSISDBHSA-N 433.337 5.489 30 10 IKEE Cc1ccc([C@@H](C2CCC2)n2nc(C3CCC3)c(C#N)c2I)cc1C 2079131582 VWYDXHWGMBHVOI-HXUWFJFHSA-N 445.348 5.633 30 10 IKEE CSc1ccc([C@@H](C(C)C)n2nc(C(C)C)c(C#N)c2I)cc1 2080105938 QWGIEZUNRZOJNV-QGZVFWFLSA-N 439.366 5.450 30 10 IKEE CC(C)c1ncc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)s1 2114344935 WYURQVFZMSGMGM-HNNXBMFYSA-N 436.375 6.035 30 10 IKEE CCCC1(CNc2cc(Br)ccc2C#N)CCN(C(=O)OC(C)(C)C)CC1 2162414081 LQOXMEGMLBSLHY-UHFFFAOYSA-N 436.394 5.550 30 10 IKEE COc1cccc(C)c1[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2183191239 MDUYMZUAUPYCOB-KRWDZBQOSA-N 431.330 5.773 30 10 IKEE CCCCCC#CC[C@H](O)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2203792609 QZASJHVKBXKFMA-UXHICEINSA-N 438.406 5.220 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)C1(C#N)CC2(CC3(CCC3)C2)C1 2204090103 OJZLAWUPXFSOBG-UHFFFAOYSA-N 431.374 6.197 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1sc(C)c(C)c1Br 2229299138 DBWHRQWTWAMBMT-RDJZCZTQSA-N 443.451 5.475 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Br)ccc1[C@H](O)C#Cc1ccc(Cl)cc1 2230986693 NDVURXGMUVSJQA-GOSISDBHSA-N 436.733 5.535 30 10 IKEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CSc1ccc(C#N)c(Br)c1F 2260367570 JHMJRXLJFAXTQE-AAEUAGOBSA-N 429.355 5.197 30 10 IKEE C=CCC[C@@H](OCCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2263059296 MJWBPJKZBDRDQL-AREMUKBSSA-N 431.576 6.217 30 10 IKEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)cc1 2267092698 OZIQGBYNHMQUED-FAEJEUNOSA-N 444.381 5.083 30 10 IKEE C=CCCC1([C@H](NC)c2cc(Cl)cc(Cl)c2Cl)CN(C(=O)OC(C)(C)C)C1 2281056166 OJIBMUGIDRUDEI-QGZVFWFLSA-N 433.807 6.111 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CN(c2c(Br)cccc2C#N)C2(CCCCC2)C1 2285220072 DXGXCFILUZIMCZ-MRXNPFEDSA-N 434.378 5.127 30 10 IKEE CN[C@@H](C#Cc1cccc(Br)c1)CCCCCCCNC(=O)OC(C)(C)C 2296216899 OVHAPTAFXDOXQT-HXUWFJFHSA-N 437.422 5.254 30 10 IKEE O=[N+]([O-])c1cccc(C=CC=Nc2ccc3oc(-c4cccc(Br)c4)nc3c2)c1 2297453800 SVVNCOSUAMKAGP-UHFFFAOYSA-N 448.276 6.581 30 10 IKEE CCOc1ccc2oc(C)c(C(=O)Oc3cccc(C=CC(=O)c4ccccc4)c3)c2c1 2314429391 GHLJAWRVZIJUEM-UHFFFAOYSA-N 426.468 6.255 30 10 IKEE CC(=C1SC(=Nc2nc(C)cs2)N(C2CCCCC2)C1=O)c1ccc(C)c(C)c1 2314544151 VAZHJIUEEXXRMZ-UHFFFAOYSA-N 425.623 6.395 30 10 IKEE CC(C)=C(CN(C)[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21)B1OC(C)(C)C(C)(C)O1 2317859958 VYWUTQDPCVYATC-ZPFZUWPUSA-N 425.422 5.270 30 10 IKEE CCc1nnc(SCC(=O)Nc2ccccc2C)n1N=Cc1ccc(Cl)cc1Cl 2320973995 BMCHUFLWFKNZSV-UHFFFAOYSA-N 448.379 5.069 30 10 IKEE COc1cccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2ccc(C)c(C)c2)c1 2322378775 BDDFKFCFHPDUDX-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE CCOCCCN1COc2c(cc3c(c2C)OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)C1 2322391581 XUTIWUBXXBZSBP-UHFFFAOYSA-N 435.564 5.487 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccccc2)c1OCC(=O)Nc1ccc(C)cc1C 2322545643 FNETUSVXQSOMFC-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OC(=O)c4ccc(C)cc4)c3C)C2=O)c1OC 2322671419 DOXSYHVGEXTLMO-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc3c(c2)OCO3)c1OCc1ccccc1C 2322698877 HVEWHRGSHWAPIZ-UHFFFAOYSA-N 436.891 5.861 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2cccc(OCc3ccccc3F)c2)cc1Cl 2323279918 MAMRIPHREDYWCV-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OC(=O)c3cccc(OCC(C)C)c3)c2C)C1=O 2323580678 XAINYZOWJCQVFI-UHFFFAOYSA-N 442.511 6.174 30 10 IKEE Cc1cc(OC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc2c1C(=O)C(=Cc1ccc(F)cc1)O2 2323596016 YCEYOBXROMWXBO-UHFFFAOYSA-N 445.402 5.277 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc3ccccc23)c(Br)c1)c1ccccc1 2323809301 WSIFEAMVAWSEKK-UHFFFAOYSA-N 443.340 7.077 30 10 IKEE COc1cc(C=NNc2nc(-c3cccs3)cs2)ccc1OCc1cc(C)ccc1C 2323839997 YGKOMEKJAQKHIX-UHFFFAOYSA-N 449.601 6.522 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2C)C3=O)cc1 2323882450 XSHXYKADXVOSCB-UHFFFAOYSA-N 428.440 5.146 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OCc3c(Cl)cccc3Cl)c(Cl)c2)c1 2323944057 HXJVRSFJKRYPLJ-UHFFFAOYSA-N 445.773 7.739 30 10 IKEE CCn1cc(C=C2Oc3cc(O[C@H](C)C(=O)OC(C)C)cc(C)c3C2=O)c2ccccc21 2324305377 NWDHNYOVYAKMKL-QGZVFWFLSA-N 433.504 5.305 30 10 IKEE Cc1cc(O[C@H](C)C(=O)Nc2ccccc2Cl)cc2c1C(=O)C(=Cc1cccs1)O2 2324391696 CJQJQGDNZVGOHM-CQSZACIVSA-N 439.920 5.732 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCCOc4cccc5ccccc45)cc(C)c3C2=O)o1 2324696915 OEWXIWDSBBNEKM-UHFFFAOYSA-N 426.468 6.124 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2c(c1C)OC(=Cc1cccc(Cl)c1)C2=O 2325198596 ZKSKJPIMUYLTEH-UHFFFAOYSA-N 427.928 5.292 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2N=Cc2cccc(O)c2)cc1 2325435495 MEQXJPYCCYGHPO-UHFFFAOYSA-N 428.561 5.252 30 10 IKEE COc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2cc(C)ccc2C)cc1 2325489090 GWWXEVYKQAPGNG-UHFFFAOYSA-N 442.588 5.669 30 10 IKEE CCc1ccccc1OCC(=O)Oc1cc(C=CC(=O)c2cccc(OC)c2)ccc1OC 2325706669 ATEODXURIDZMJL-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE Cc1c(OCC(=O)Nc2cccc3ccccc23)ccc2c1OC(=Cc1cccs1)C2=O 2325707238 DBDXDLDXGUXTQQ-UHFFFAOYSA-N 441.508 5.843 30 10 IKEE COc1ccc(Cl)cc1NC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1C)C2=O 2325708644 QKLOTSDKBXZUTM-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1cccc(C=CC(=O)c2ccc(F)cc2F)c1 2325726039 VXUJTJRPRGILNT-UHFFFAOYSA-N 436.454 5.934 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1OC(=O)c1cccnc1 2325736541 DGRTYDWFJMDWCU-UHFFFAOYSA-N 428.271 5.512 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1cn(CC)c2ccccc12 2326306470 WGMOSTXCJPAGDV-UHFFFAOYSA-N 431.609 6.078 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(N(CC)CC)cc1 2326358042 XBTODQNXBPNENF-UHFFFAOYSA-N 442.032 5.905 30 10 IKEE Cc1ccc(CSc2nnc(C)n2N=Cc2ccc(OCc3ccccc3)cc2)c(C)c1 2326432972 DJTPALWBQSUHBT-UHFFFAOYSA-N 442.588 5.957 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1c(C)[nH]c2ccccc12 2326519875 PRRBAZOBDPSGJU-UHFFFAOYSA-N 444.391 6.112 30 10 IKEE CCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(Cl)cc1Cl 2326546594 WJNXGYRCBGJOQN-UHFFFAOYSA-N 425.772 5.975 30 10 IKEE C=C(C)CSc1nnc(COc2c(C)cccc2C)n1N=Cc1cccc2ccccc12 2328557158 BJOXPMZLDJKOOE-UHFFFAOYSA-N 442.588 6.178 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(OC)cc2)n1N=Cc1cccc(Cl)c1 2328576938 HUEFKIMKMSMLEA-UHFFFAOYSA-N 426.973 5.276 30 10 IKEE Oc1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2-c2ccccc2Cl)cc1 2329552343 XJSPYJKWMSPCEC-UHFFFAOYSA-N 438.915 5.618 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(F)c3)n2N=Cc2ccc(O)cc2)cc1 2329966259 MBRIASPVSFYJEF-UHFFFAOYSA-N 432.524 5.197 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2N=Cc2cccnc2)cc1 2330022084 URLWKQCTAJZLPU-UHFFFAOYSA-N 433.968 5.400 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(O)cc1 2330110748 DMUJMJIRIZADNL-QGZVFWFLSA-N 448.979 5.963 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C2CCCC2)c(Cl)c1)c1ccc(-c2ccccc2)cc1 2330599998 PEHWKGXTRCMSMJ-UHFFFAOYSA-N 430.931 6.999 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1[N+](=O)[O-] 2330664811 FYSGVOSWYMUZEB-UHFFFAOYSA-N 443.499 6.520 30 10 IKEE O=[N+]([O-])c1cccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2-c2ccccc2)c1 2330692604 RBHXRTJBUUZNSQ-UHFFFAOYSA-N 449.923 5.681 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(CC)cc3)cc2)cc1 2330740754 SOQBCLWWLCRDPQ-UHFFFAOYSA-N 428.528 6.082 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)ccc1OC(=O)c1ccc(N(C)C)cc1 2330765224 FCLLWKVUWWHTDO-UHFFFAOYSA-N 443.543 5.829 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCc3ccccc3)nnc2[C@H]2CCCO2)cc1 2330954802 FNQDVXPXCPQBDK-JOCHJYFZSA-N 436.581 5.483 30 10 IKEE Cc1ccc(C)c(OCC(=O)Oc2ccc(C=CC(=O)c3cccc(Cl)c3)cc2)c1C 2331116182 UTOKAMAYSDFPDZ-UHFFFAOYSA-N 434.919 6.146 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)COc3ccc(C)c(C)c3)c(Cl)c2)c1 2331319755 HAFPYZHHLPXWFC-UHFFFAOYSA-N 448.946 6.454 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)[C@H]3CCCO3)c(Br)c2)c1 2331320423 LVASFFXIJAZRHY-OAQYLSRUSA-N 429.310 5.046 30 10 IKEE CCCCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1N=Cc1ccc(CC)cc1 2331350672 KOZHHJRAOMYSEQ-LJQANCHMSA-N 449.624 5.035 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1 2331659318 IJDJNMYBZCCEFB-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1 2331660196 RXEJVKODZIQHSY-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)C(C)(C)C)c(OC)c2)c1 2331685417 IGSFUQRDTFCGCI-UHFFFAOYSA-N 426.509 5.340 30 10 IKEE CC(C)c1nnc(SCc2ccccc2)n1N=Cc1cccc(OCc2ccccc2)c1 2331698348 LPOPJHUFTAOVLI-UHFFFAOYSA-N 442.588 6.155 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)cc2)c(C)c1 2331764456 UJNJQSJPVQRLOA-BJKOFHAPSA-N 444.958 6.870 30 10 IKEE CC(C)(CCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)CNC(=O)OC(C)(C)C 2339606289 OUIFRJXXRNFELI-UHFFFAOYSA-N 446.397 5.046 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H](Nc2ccc(Br)c(C#N)c2)[C@H]1C(F)(F)F 2370051384 VBUDLNJLEZHKMA-GJZGRUSLSA-N 448.283 5.063 30 10 IKEE CC(C)(C)OC(=O)N[C@]1(C)C[C@H]2CC[C@H]1C[C@@H]2Nc1ccc(Br)c(C#N)c1 2380854235 DQIXPHASKXSJRO-CUNIBPJMSA-N 434.378 5.205 30 10 IKEE C=C(C)CN1C(=O)[C@H](C)Oc2cc(NC(=O)NC(C)(C)c3cccc(C(=C)C)c3)ccc21 12236442 RHRSJNGJMUKXNZ-SFHVURJKSA-N 433.552 5.467 30 10 IKEE CN(Cc1ccccc1)S(=O)(=O)c1ccc(/N=C/c2cccc(Cl)c2Cl)cc1 12493137 AMOYGOFHAQUAGW-ZVHZXABRSA-N 433.360 5.565 30 10 IKEE CCOc1cc(/C=C2\CCc3c(C)cc(C)cc3C2=O)cc(Br)c1OCC 15911782 ZYFTZWKJBNCUEJ-GZTJUZNOSA-N 429.354 6.076 30 10 IKEE COc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cccc([N+](=O)[O-])c1 20884341 DKCNZYWDMIEQFU-WGDIFIGCSA-N 441.487 5.583 30 10 IKEE COc1cc(OC)cc(-c2nnc(SCc3ccccc3C#N)n2-c2ccc(C)cc2)c1 35847755 FPAAZXSPOXRDRS-UHFFFAOYSA-N 442.544 5.424 30 10 IKEE C=CCC[C@@H](O)CN(CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1 36346151 GJUPBECMBSSCDT-XMMPIXPASA-N 449.595 5.057 30 10 IKEE C=CCc1ccc(OCCCCn2c(/C=C/c3ccco3)nc3ccccc32)c(OC)c1 40238702 QTZDVIOLWRACLD-JQIJEIRASA-N 428.532 6.396 30 10 IKEE CCCCCCn1c2ccccc2c2nnc(N/N=C/c3ccc(OC)cc3OC)nc21 64981327 IDNPCHCOGYNHSF-PCLIKHOPSA-N 432.528 5.023 30 10 IKEE CCCCCCCCCCCCCCCCNCc1ccccc1OCCCCCC 100023531 JNZHFASHPATSSI-UHFFFAOYSA-N 431.749 9.217 30 10 IKEE CCCCCCCCCCCCCCCCNCC(=O)Nc1cccc(C(=O)N(C)C)c1 100056007 FQZHEBVFCCCOBM-UHFFFAOYSA-N 445.692 6.398 30 10 IKEE CCCCCCCOc1ccc(NCC(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1 100077855 IMYJRTGQZUNRIT-UHFFFAOYSA-N 449.551 5.932 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1 100153408 QNPXROLGXSJFOE-JOCHJYFZSA-N 438.568 5.197 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)[C@@H](C)Oc1ccc(C(C)C)cc1 100159292 TVXKRMWLBVGDGE-RUZDIDTESA-N 431.705 8.175 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(NCc2cccnc2)c1N 101501504 RFYFODDIACVMLL-UHFFFAOYSA-N 440.680 6.959 30 10 IKEE CCCCCCCOC(=O)c1ccc(NCCC(=O)c2ccc(Br)cc2)cc1 103678773 ZGMHIPWRCVTQQO-UHFFFAOYSA-N 446.385 6.261 30 10 IKEE COc1ccc(N/N=C/c2cc(OC)c(OCc3ccccc3)c(OC)c2)cc1Cl 169877101 PMTRWNBIZZDNJS-AFUMVMLFSA-N 426.900 5.391 30 10 IKEE COc1ccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2cc(C)ccc2C)cc1 169924807 LRNABURATPMKJL-AREMUKBSSA-N 441.527 5.414 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2cc(C)cc(C)c2)c1 169929764 UKWWRGFHDMJDPV-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CCCCCOc1ccc(/C=N\Nc2nc(-c3ccc(OC)cc3)cs2)cc1OCC 169941434 VZBKTFHJPUIROA-XYGWBWBKSA-N 439.581 6.232 30 10 IKEE Cc1sc(N/N=C\c2cc(Cl)c(OC(C)C)c(Cl)c2)nc1-c1cccs1 169943310 REQDIFMKSVDJLK-NKVSQWTQSA-N 426.394 6.720 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccc(O)cc1)c1ccc(Cl)cc1 169961354 BSINKXNZVCPAQH-HXUWFJFHSA-N 440.282 5.482 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2cccc(C)c2)c1 169971173 ARLPSEKGVDMUJC-HSZRJFAPSA-N 449.453 5.455 30 10 IKEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2cccs2)cc1 169982041 AIUYCKKFMSDRQV-JOCHJYFZSA-N 443.528 5.078 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2cccs2)cc1C 169982914 CEHMCNWTDCDQCZ-QHCPKHFHSA-N 431.557 6.271 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@H]2c2cccnc2)s1 170008576 KAXSVYNBJNSJQT-NRFANRHFSA-N 441.512 5.091 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2C2CCCC2)cc1 170033995 ZEEWAYBSHGNBEA-XMMPIXPASA-N 449.547 5.395 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2)c1 170047097 RKSPQXOTXOCXDR-QHCPKHFHSA-N 431.463 5.397 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccccc2F)cc1 170069649 KKCDLJCAEKKEPP-QFIPXVFZSA-N 435.426 5.065 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccccc2)c1 170225505 JJPPFBRRIKZJAR-SANMLTNESA-N 433.507 6.240 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(F)cc2)cc1C(C)C 170241122 LNHLEGCJHOFWSQ-QHCPKHFHSA-N 449.478 5.329 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(O)c2)cc1C(C)(C)C 170264186 ILBPGMHBUDLKSH-HSZRJFAPSA-N 449.547 5.219 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cc(C)cc(C)c3OC)=C(O)C(=O)N2C2CCCC2)cc1 170268528 QYPACJDTUOJVQU-HSZRJFAPSA-N 433.548 5.395 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2C)c(C)c1 170271051 SKMGEDYVMPWBNG-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccco2)c1 170279635 ZXWROPWZOFYEPH-NRFANRHFSA-N 437.517 5.154 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)cc(C)c3OC)[C@H]2c2ccc(C)o2)cc1 170300645 YBYNEGKKCZMXOK-HSZRJFAPSA-N 445.515 5.559 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2ccc(C)o2)cc1 170304529 JQACAUBNILHNMD-QHCPKHFHSA-N 447.487 5.174 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@@H]1c1ccc(C)o1 170309220 KKOBSCCFLHAWBI-NRFANRHFSA-N 425.525 5.273 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1c(C)[nH]c2ccccc12 170311999 KIFONIUOCJVJCU-QHCPKHFHSA-N 432.520 5.172 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1ccc(C(C)(C)C)cc1 170333215 AISJWZIITCUDOT-DEOSSOPVSA-N 441.527 5.776 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2Cc2cc(C)ccc2C)cc1 170455104 QWHSEBRZVRHUTB-AREMUKBSSA-N 448.607 5.660 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc(Oc2ccccc2)c1 170456998 ZQZYRMBQKXAMEX-HSZRJFAPSA-N 442.515 5.385 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1ccc2ccccc2c1 253574697 SYTNHIQQPUXLCO-UHFFFAOYSA-N 436.487 5.293 30 10 IKEE CCCCN1C(=O)/C(=C2\Sc3ccccc3N2C)SC1=Nc1ccc(C)cc1O 254307941 IELOJIVTFDAMDC-CUCKYGFWSA-N 425.579 5.475 30 10 IKEE COc1ccccc1CON=C(C)c1cc(-c2ccc(F)cc2)n(-c2ccccc2)c1C 254391979 ICCKTHUATKVHRM-UHFFFAOYSA-N 428.507 6.541 30 10 IKEE COc1cc([N+](=O)[O-])cc(C=Nc2ccc(O)c(-c3nc4cc(C)cc(C)c4o3)c2)c1O 254841801 VUVUANMPOPCRRK-UHFFFAOYSA-N 433.420 5.190 30 10 IKEE C=CCN(C[C@H](NCCC)c1c(F)ccc(F)c1Br)C(=O)OC(C)(C)C 407135647 ZZIINXFIPNJSDW-HNNXBMFYSA-N 433.337 5.191 30 10 IKEE CSc1nc(O)c(C(=O)NCc2ccc(Oc3cccc4ccccc34)cc2)cc1C#N 514126049 CJJCQJBPZIETJY-UHFFFAOYSA-N 441.512 5.256 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(Cl)cc2)cc1OC 526518580 ZPPXVRFFCPZQOS-QHCPKHFHSA-N 446.890 5.286 30 10 IKEE CC(C)COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccncc2)cc1 526604595 JIFJVEUJYTZQBX-DEOSSOPVSA-N 425.488 5.045 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1ccc(OC)c(OC)c1Cl 526808269 QSIBQXQLRZBULP-CFRMEGHHSA-N 444.988 5.384 30 10 IKEE CCCOc1ccc(/C=N\n2cnnc2SCc2cccc(Cl)c2)cc1OCC 526812512 YSZDYBLZDLIYEC-CFRMEGHHSA-N 430.961 5.294 30 10 IKEE CCN(CC)c1ccc(/C=N\n2cnnc2SCc2ccc(Cl)c(Cl)c2)cc1 526812802 MIVHNUZFJZDPAZ-MSXFZWOLSA-N 434.396 5.606 30 10 IKEE CCCOc1cccc(/C=N\n2c(CC)nnc2SCc2cccc3ccccc23)c1 526821268 JXBYZMVLZBAWFH-ONUIUJJFSA-N 430.577 5.957 30 10 IKEE CCCCCCCCCC[C@@H](COC(=O)c1ccccc1)c1nnc(-c2ccccc2)o1 585667510 RAZXQJWQGMETBB-DEOSSOPVSA-N 434.580 7.208 30 10 IKEE CC(C)[C@H]1CCCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 698460260 YRLFJSIQTIQWQU-VGSWGCGISA-N 435.406 6.689 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@@]1(C#N)CCCN(Cc2ccccc2)C1 710785103 LGXQZSZEHBWPSQ-XMMPIXPASA-N 425.960 5.640 30 10 IKEE N#CCn1cc(C=Nc2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c2ccccc21 1083902082 QNRPKHOHLHXRAX-UHFFFAOYSA-N 444.604 5.918 30 10 IKEE COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=Nc3ccc(C)cc3C)NC2=O)o1 1084162859 NVUMETUEWLSIEC-CIAFOILYSA-N 449.488 5.372 30 10 IKEE C=CCOC(=O)/C=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 1084428844 NOPRLDUZMIWKAT-ALCCZGGFSA-N 427.711 5.977 30 10 IKEE C[C@@H]1C/C(=N/c2ccc(F)cc2)c2cc(F)ccc2N1C(=O)c1ccc(C(F)(F)F)cc1 1615950071 RELHSXCNXSPQOF-QAHKSRLISA-N 444.403 6.543 30 10 IKEE O=C1/C(=C/c2cccnc2)SC(=Nc2nc(-c3ccccc3)cs2)N1C1CCCCC1 1772740199 YZNLYUUACHFIIV-PAMLCIOASA-N 446.601 6.142 30 10 IKEE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1C(=NNc1ccc(F)cc1)CCC2 1772748991 IOXNMXSKMKIKQS-UHFFFAOYSA-N 446.309 6.439 30 10 IKEE CCCCCCCCCOc1cccnc1NC(=O)CCCOc1ccc(OC)cc1 1858750080 KJCXPNYCALFWOH-UHFFFAOYSA-N 428.573 6.017 30 10 IKEE C=CCN(CC=C)C(=O)Oc1ccc(CNC(=O)C(c2ccccc2)c2ccccc2)cc1 1858868231 JJCCOFPOQNBAII-UHFFFAOYSA-N 440.543 5.308 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)/C=C/c1ccc(OCC)cc1 1861581836 QTRNKYHSIBRAAW-BKWQBPKISA-N 430.633 5.640 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)COc1ccc(Cl)c(C)c1 1861638877 FUFRXXNRFLCXEP-QFIPXVFZSA-N 439.040 5.569 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)c1cccc(Oc2ccccc2)c1 1861755691 UEHQGBPCIBCNPH-VWLOTQADSA-N 438.612 6.244 30 10 IKEE CCCCCCCCNC(=O)c1cc(CCc2ccccc2)n(-c2ccc(OC)cc2)n1 1862319171 OYPDUEJKROKYOX-UHFFFAOYSA-N 433.596 5.756 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1cccc(Cl)c1 1862381350 XYQAAKAULOMLMT-VOJFVSQTSA-N 438.738 6.024 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(OCCC)cc1 1862418632 KPEFFAXYKRMKSQ-JOCHJYFZSA-N 443.490 5.522 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccc2ccccc12)c1ccc(F)cc1F 1862420784 RLFFOTKHMFRQCD-QHCPKHFHSA-N 445.421 5.490 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@H]1c1ccccc1F)c1ccccc1Cl 1862430998 XCJBUZALIFQWDN-FQEVSTJZSA-N 441.911 5.362 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@H]1c1cccc(F)c1)c1cccc(Cl)c1 1862444933 KCHUJHPBLRCLNC-QFIPXVFZSA-N 441.930 6.170 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1cccc(F)c1)c1cccc(Cl)c1 1862445418 VRVSGBZDPFHIIS-NRFANRHFSA-N 439.845 5.397 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(F)cc2F)ccc1F 1862503188 SDLYXAIOJWKDMW-JOCHJYFZSA-N 443.465 5.713 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(C(C)C)cc2)ccc1F 1862504475 VHRJRITULINBTD-VWLOTQADSA-N 449.566 6.559 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccc(OC)cc2)cc1 1862535218 CCOKSGUMEVJSKF-AVRWGWEMSA-N 441.527 5.597 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1c(Cl)cccc1Cl 1862562456 GGEFBPWJLRPRHV-IBGZPJMESA-N 433.335 5.200 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862590391 HWZBKKHPCJXNKZ-XMMPIXPASA-N 431.532 5.423 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@@H]2c2ccccc2)cc1 1862660101 HSLPTQMXYCSVOA-XMMPIXPASA-N 445.946 6.242 30 10 IKEE CCOc1cc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CCCC2)ccc1O 1862669216 QQWSIZXXDQWTSV-DEOSSOPVSA-N 449.547 5.435 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCc2ccc(Cl)cc2)c1 1862674836 VLIRYNBIAMIWPI-HSZRJFAPSA-N 449.909 5.609 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2cccc(F)c2)c1 1862702301 AVLVTMGXFSCQEE-XMMPIXPASA-N 445.490 5.045 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862702882 OFUWKMKBVZJXAN-DEOSSOPVSA-N 445.490 5.175 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)c(F)c2F)=C(c2cccs2)C1=O 1863486230 ZPDLAYLQPJKUAB-UHFFFAOYSA-N 436.499 5.718 30 10 IKEE CCCCCCCCNC1=C(c2ccc(C)c(C)c2)C(=O)N([C@@H](C)c2ccccc2)C1=O 1863608065 HMWYMLGEWVCQAX-QFIPXVFZSA-N 432.608 6.095 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(Cl)c(Cl)c2)C(=O)N(C2CC2)C1=O 1863630936 HXXLRGLEYHJTSH-UHFFFAOYSA-N 437.411 5.966 30 10 IKEE CCCCCCCCN1C(=O)C(NCCOc2ccccc2)=C(c2cc(C)ccc2C)C1=O 1863742027 YFKZQRYGEXGVKF-UHFFFAOYSA-N 448.607 5.412 30 10 IKEE Cc1ccccc1-c1ccc2[nH]c(C(=O)Nc3sc4c(c3C#N)CCC4)cc(=O)c2c1 1866563643 LHMPKPMQEFOOAS-UHFFFAOYSA-N 425.513 5.178 30 10 IKEE CCc1nc(Nc2cccc(C#N)c2)cc(N2CCC(Oc3cccc(Cl)c3)CC2)n1 1868268809 XIZJLFDUSJTTGP-UHFFFAOYSA-N 433.943 5.355 30 10 IKEE CCCc1nc(Nc2cccc(C#N)c2)cc(N2CCc3[nH]c4c(OC)cccc4c3C2)n1 1868378673 QYYQVOCDOBSWBY-UHFFFAOYSA-N 438.535 5.097 30 10 IKEE CCCc1nc(Nc2cccc(C#N)c2)cc(N2C[C@H](C)O[C@H](c3ccc(F)cc3)C2)n1 1868379202 ZNIDJJNCGKCOMK-JTSKRJEESA-N 431.515 5.150 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)OCCOc2ccccc2)c(=O)cc1C 1870089706 ZKCWQOMYUKWYIC-UHFFFAOYSA-N 443.584 5.298 30 10 IKEE CCCCCCCCn1cc(OCC)c(=O)cc1CNc1ccc(Br)c(C)c1 1870784635 XZSHJVHOLSDXCI-UHFFFAOYSA-N 449.433 6.291 30 10 IKEE CCCCCCCOc1cn(Cc2cccc(C)c2)c(CNc2cccc(C)c2C)cc1=O 1870835798 JWOWEAIBXMSSGU-UHFFFAOYSA-N 446.635 6.783 30 10 IKEE CCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CNc1ccc2c(c1)OCO2 1871258658 VVNDFVPDHKJVRM-UHFFFAOYSA-N 442.600 5.975 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)CCCOc4ccccc4)ccc3C2=O)cc1 1871371503 TULQIZCLQBTGKS-JLPGSUDCSA-N 430.456 5.076 30 10 IKEE CCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871379327 BEBQAFRYUIQNPS-FEJIYUKPSA-N 440.495 5.937 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871387756 NGVDMRGFGCEDQA-HAHDFKILSA-N 448.902 6.273 30 10 IKEE CC(C)N(Cc1ccccc1)Cc1c(O)ccc2c1O/C(=C\c1ccccc1Cl)C2=O 1871393884 PLLZVDUHSYOAIO-OYKKKHCWSA-N 433.935 6.072 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccc(F)cc4)c3C)C2=O)cc1 1871400725 JJRBVDZDQGXZQE-ZGWJWYQGSA-N 447.462 5.165 30 10 IKEE Cc1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2cccc(F)c2)C3=O)c1C 1871413443 GWWPICKALYKPPN-SMNNTEATSA-N 445.490 5.773 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2F)C3=O)c(C)c1 1871414688 WTKSVFWDCNQBBJ-WTZXFZKGSA-N 445.490 5.773 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCCc3ccc(OC)cc3)cc(C)c2C1=O 1871447912 HLTCSXUPOLGQTK-XYGWBWBKSA-N 430.500 5.640 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1cccs1)C2=O)Nc1cccc(Cl)c1Cl 1871458219 PUODRPOCCQOHQH-ZDLGFXPLSA-N 446.311 5.689 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(F)cc2)[nH]c(N2CCCCC2)n1 1871515963 KSIPCDFYZLNTDT-UHFFFAOYSA-N 428.600 5.719 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(OC)cc2)[nH]c(N(CC)CCCC)n1 1871561318 GENUBHHAFGVJMN-UHFFFAOYSA-N 428.625 5.445 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(OC)cc2)[nH]c(N2C[C@@H](C)C[C@H](C)C2)n1 1871561333 GVLGNBVAFNSQOT-PMACEKPBSA-N 440.636 5.300 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(OCCCC)cc2)[nH]c(N(CC)CC)n1 1871614151 LQWSJDKUGURXBC-UHFFFAOYSA-N 442.652 5.835 30 10 IKEE C=CCN(CC=C)c1nc(=NCCC(C)C)nc(Nc2ccc(Cc3ccccc3)cc2)[nH]1 1871659720 DCVSPULGEKXGAD-UHFFFAOYSA-N 442.611 5.264 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3Br)n2)cc1 1872762411 LULNVFDGRUTEPV-SFHVURJKSA-N 439.378 6.405 30 10 IKEE CC(C)c1ccc(O[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(F)cc3F)cs2)cc1 1872766021 BBHATGBMRFWFHU-LIRRHRJNSA-N 426.488 5.855 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccccc3Cl)n2)cc1F 1872775420 QALCLBNSRXWNEG-OAHLLOKOSA-N 444.915 5.647 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@H](C#N)C(=O)c3ccnc(Cl)c3)n2)c1 1872780154 BKOAOMNIDPSDHY-MRXNPFEDSA-N 427.913 5.146 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(Cl)ccc3OC)n2)cc1Cl 1872785673 SQLCMUHKHDQFFZ-CQSZACIVSA-N 433.316 5.624 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)c3ccc(-n4cccc4)cc3)n2)cc1C 1872787490 KSAIVWFLICCBMK-NRFANRHFSA-N 427.529 5.716 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCc2ccccc2)=C(c2ccccc2C)C1=O 1873098422 LVMMYFBHHCYXQR-UHFFFAOYSA-N 446.635 6.048 30 10 IKEE CCCCCCCCN=c1nc2c(cnn2-c2ccccc2)c(Nc2cc(C)ccc2C)[nH]1 1873478467 YXBIYKDJZWHDFK-UHFFFAOYSA-N 442.611 6.370 30 10 IKEE C=CCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1cc(Cl)ccc1O 1874232421 LTXVCYPMMGJIBJ-WGOQTCKBSA-N 448.979 5.736 30 10 IKEE CCSc1nnc(CCc2cccc(OC)c2)n1/N=C/c1c(Cl)cccc1Cl 1874309305 OZCCIYKYDNUGFD-YDZHTSKRSA-N 435.380 5.373 30 10 IKEE C=CCSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1ccc(OCCCC)cc1 1874331414 MKCQZUWRXSDOQT-ZXVVBBHZSA-N 448.636 6.019 30 10 IKEE CCCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874343625 ZVSQCMIXGWXJTJ-PCLIKHOPSA-N 427.017 6.204 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2/N=C/c2ccco2)cc1 1874351062 SBUFMWUHAZNTFN-ZVHZXABRSA-N 438.940 5.298 30 10 IKEE CCCOc1cccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccccc2)c1 1874408377 TYFKBFXWPHHVTR-ZXVVBBHZSA-N 448.636 6.364 30 10 IKEE COc1ccccc1/C=N/n1c(CC2CCCCC2)nnc1SCc1ccccc1F 1874408385 UHWWXRCQQAEKFK-WGOQTCKBSA-N 438.572 5.723 30 10 IKEE Clc1cccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccccn2)c1 1874408616 GMJLIKLRENLTAE-MFKUBSTISA-N 425.989 5.624 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(CC2CCCCC2)n1/N=C/c1ccncc1 1874411031 FVTWBIJVUKPOGI-VULFUBBASA-N 443.979 5.763 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2cccc(Cl)c2)nnc1-c1ccccc1 1874430598 PVRBVRHWXOLPIH-MFKUBSTISA-N 434.952 5.782 30 10 IKEE CCCOc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SCCc2ccccc2)c1 1874439616 KTVLUIBRUWYKNO-LGUFXXKBSA-N 436.625 5.873 30 10 IKEE COc1cc(/C=N/n2c(CC(C)(C)C)nnc2SCc2cccc(Cl)c2)ccc1O 1874440750 QUVMEUZARNAYOY-ZMOGYAJESA-N 444.988 5.409 30 10 IKEE CCc1nnc(SCC(=O)Nc2cccc(C)c2)n1/N=C/c1c(Cl)cccc1Cl 1874524344 JVNNDKBLNOWFEE-FOKLQQMPSA-N 448.379 5.069 30 10 IKEE CCOc1cc(/C=N/n2c(S)nnc2C2CCC2)ccc1OCc1ccccc1Cl 1874559419 QPLJJCIBWFOPQM-ZMOGYAJESA-N 442.972 5.348 30 10 IKEE CCCOc1c(/C=C/C(=O)c2cccc3ccccc23)cc(Br)cc1OC 1874583392 LEZPPJTVXBFSNQ-VAWYXSNFSA-N 425.322 6.296 30 10 IKEE Cc1ccc(NC(=O)COc2ccccc2/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1 1874591421 JEMPJMQQPZYCQG-MDWZMJQESA-N 440.326 6.215 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)OCC(C)C)cc1C 1874591444 KJMFWLSDKBBHNX-SOFGYWHQSA-N 430.928 5.440 30 10 IKEE CCc1ccccc1NC(=O)COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC 1874595580 SQHKYVBMDYOVQR-RIYZIHGNSA-N 449.934 5.825 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1F 1874597293 DXLNIWXYYKIOHW-DHZHZOJOSA-N 433.479 5.365 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OCC(=O)Nc1c(C)cccc1C 1874617874 XVGLJNNTCXBJOI-JLHYYAGUSA-N 443.543 5.842 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1OC(=O)c1sccc1C 1874693498 IGZPKUIRTXSPJA-YRNVUSSQSA-N 432.541 6.059 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@H]3C[C@H]3c3ccccc3Cl)c2)cc1 1874701077 AEMAZZDMPPGYOC-WIEYIXJUSA-N 446.930 6.344 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC(=O)c2cnc(C)cn2)c1 1874710226 XLTMXCHAHYUDAU-PKNBQFBNSA-N 430.504 5.206 30 10 IKEE C=CCN(CC=C)CCC(=O)c1cccc(OC(=O)Cc2ccc(Cl)c(Cl)c2)c1 1874729936 JJUUJNDQHBYKPA-UHFFFAOYSA-N 432.347 5.388 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2cccc(OC(C)C)c2)CSc2nnc(CC)n21 1874838660 QNQUYAYCRXSTAO-OAQYLSRUSA-N 444.645 5.690 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 1875106633 XUPVQBPEINQQPN-VIZOYTHASA-N 447.462 6.192 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)c1cnccn1 1875111657 HLVCKQITUQMRFJ-BQYQJAHWSA-N 443.286 5.297 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)CSc1ccccc1 1875140167 TYSPEPIIMUDHMM-WYMLVPIESA-N 446.568 6.296 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)Cc1ccc(Cl)cc1 1875140459 HTHDHDNAFVPWAV-UKTHLTGXSA-N 448.946 6.400 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc(OC)c1OC(=O)C(C)(C)C 1875166492 JGWSFFMNMIYRGV-ACCUITESSA-N 436.548 5.897 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2[N+](=O)[O-])c1 1875174753 GVIMEBOMTWBIIR-RMKNXTFCSA-N 429.472 5.944 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cc(OC)c(OC(=O)C2CCCC2)c(OC)c1 1875193217 XPSPBLTZUJKJEW-CSKARUKUSA-N 444.911 5.358 30 10 IKEE CC(C)(C)C#CC[C@H](N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875646814 PZHQODMUJYCEBL-LSYYVWMOSA-N 443.587 5.645 30 10 IKEE O=C(Nc1cc(Br)cc(C(F)(F)F)c1)Nc1cccc(C(F)(F)F)c1F 1890085159 ZXUCLTLECCJNFE-UHFFFAOYSA-N 445.132 6.270 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(N4CCCCCC4)cc3)cc21 1890630310 TZEGNIZGFKKMQB-UHFFFAOYSA-N 447.579 5.257 30 10 IKEE CCCCCCCCCC[C@H](NC)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1946540019 KYXWOUALXOSZGS-BJKOFHAPSA-N 434.665 6.215 30 10 IKEE CCCN[C@H](CC#C[Si](C)(C)C)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2014171788 USYSFYWNRNQLCX-MZYLBHOOSA-N 446.708 5.124 30 10 IKEE O=C(C=CNc1cccc([N+](=O)[O-])c1)c1cccc(OCc2ccc(Cl)cc2Cl)c1 2053528190 NTPXWDZNAVKBOK-UHFFFAOYSA-N 443.286 6.289 30 10 IKEE C#C[C@H](C)[C@@H](NCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071346423 TUMYQXNLZMFWNE-GJJMEYSYSA-N 429.560 5.125 30 10 IKEE CC1(C)CC[C@@]1(C#N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071349348 NRNRXLIMGMVILS-IXCJQBJRSA-N 427.544 6.208 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Br)c1C)NCCC 2087429122 HWXJPVVZXCJHHA-RTBURBONSA-N 425.411 5.138 30 10 IKEE CCCCCCCCC[C@@H](O)c1ccc(Br)cc1I 2142282889 JKKLZCOGVUUMJD-MRXNPFEDSA-N 439.175 6.228 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@H]1Nc1cccc(Br)c1C#N 2162335052 NXDMBCLQGAJHLO-KSSFIOAISA-N 434.378 5.206 30 10 IKEE CN(Cc1ccccc1Nc1cc(Br)c(C#N)cc1F)C(=O)OC(C)(C)C 2162339461 CZARZXHIIOTVDY-UHFFFAOYSA-N 434.309 5.570 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@]2(CNc3ccc(C#N)cc3Br)CCC[C@H]12 2165307802 TVPZMMCVTQXKCE-GHTZIAJQSA-N 434.378 5.302 30 10 IKEE C=CCC1(NCc2c(F)cc(C)cc2Br)CCN(C(=O)OC(C)(C)C)CC1 2173407023 IOAHORKSLQHUGS-UHFFFAOYSA-N 441.385 5.332 30 10 IKEE CN(c1cc(Br)cc(F)c1C#N)C1(CNC(=O)OC(C)(C)C)CCCCC1 2174813425 WBZFIBOHDFRTSA-UHFFFAOYSA-N 440.357 5.124 30 10 IKEE Brc1ccc(Br)c(CN=C2N[C@@H](c3cccs3)CS2)c1 2175632747 XVAOVGRTRDIQBB-GFCCVEGCSA-N 432.206 5.207 30 10 IKEE C#CCN(C(=O)c1cc(NC(=O)OC(C)(C)C)c(C)cc1Br)C1CCCC1 2180071572 SFOQKJKKYWSEGL-UHFFFAOYSA-N 435.362 5.123 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCCC)c2ccc(Br)cc2F)C1 2192226585 SRMUDEVMKMCLBH-SFHVURJKSA-N 441.385 5.490 30 10 IKEE CC(C)(C)OC(=O)N1CCc2sccc2[C@H]1CNc1cc(Br)cc(C#N)c1 2194006757 UZDCQRAPRIHBOK-QGZVFWFLSA-N 448.386 5.329 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C1 2215220081 XDFFPFVMKQLVRM-HSZRJFAPSA-N 447.963 5.375 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@@]1(CNC(=O)OC(C)(C)C)C[C@H]2CC[C@H]1C2)NCC 2223784110 NHXIIXNUVXNLPD-IPVQETTRSA-N 442.644 5.459 30 10 IKEE O[C@@H](C#Cc1ccccc1Br)c1ccc(Br)c(Br)c1 2227475409 VNSKABXCQNVWTO-HNNXBMFYSA-N 444.948 5.059 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@@H]1Nc1c(Br)cccc1C#N 2285183725 DBAXLTAUZGNTIP-MAUKXSAKSA-N 434.378 5.206 30 10 IKEE CCCCCCCCC[C@](C)(CO)N(Cc1cccs1)C(=O)OCc1ccccc1 2295531185 IXFFDEIPHPXQNN-RUZDIDTESA-N 431.642 6.779 30 10 IKEE C[C@H](NC(=O)OC(C)(C)C)c1ccc([C@@H](N)C#Cc2ccc(Br)cc2)cc1 2296301543 VRWBFHDRDZYSGO-YWZLYKJASA-N 429.358 5.086 30 10 IKEE O=C1C(=O)N(c2nccs2)[C@H](c2ccc(Cl)cc2)C1=C(O)c1cc2ccccc2o1 2296775120 MVZFIDBCXKXFHX-GOSISDBHSA-N 436.876 5.169 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3cc(OC(=O)c4ccc(C)cc4)ccc3C1=O)cn2C 2296871832 IFUWCPPNCLLQCD-UHFFFAOYSA-N 439.467 5.331 30 10 IKEE Cc1ccc(-c2ccc(C=CC(=O)c3cccc(NC(=O)c4ccco4)c3)o2)c([N+](=O)[O-])c1 2314457095 ZUXMKFNYNGIPFF-UHFFFAOYSA-N 442.427 5.905 30 10 IKEE O=C1C(=Cc2ccccc2[N+](=O)[O-])SC(=Nc2ccncc2Cl)N1c1ccccc1 2314542790 OOBKRBXJLDGDEK-UHFFFAOYSA-N 436.880 5.452 30 10 IKEE CCCc1nnc(SCc2ccccc2)n1N=Cc1c(Cl)ccc(Cl)c1Cl 2318574631 OSOJEXALBBLTQR-UHFFFAOYSA-N 439.799 6.365 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3cc(OCc4ccccc4C)cc(C)c3C1=O)cn2C 2321741697 GASMYXDXVMFBAD-UHFFFAOYSA-N 439.511 5.999 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCc4cc(Cl)cc5c4OCOC5)cc(C)c3C2=O)cc1 2321876664 ICZAWJFFVUGHAF-UHFFFAOYSA-N 448.902 6.019 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc4c3CN(Cc3ccc(OC)cc3)CO4)C2=O)cc1 2321944901 DCEKSRAONLUFAG-UHFFFAOYSA-N 443.499 5.062 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(Cl)cc2C=CC(=O)c2ccc(F)cc2)c(C)c1 2322748412 OQAZYYIPHMTDEO-UHFFFAOYSA-N 437.898 6.010 30 10 IKEE COc1cc(C(=O)C=Cc2cc(Br)cc(OC)c2OC)c(OC)cc1Cl 2322880694 MONAGONERLHSEZ-UHFFFAOYSA-N 441.705 5.033 30 10 IKEE Cc1cc(OC(=O)CCCOc2ccccc2)cc2c1C(=O)C(=CC=Cc1ccccc1)O2 2323187082 ZJLULJYGBSMFBB-UHFFFAOYSA-N 440.495 5.932 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc3C2=O)cc1 2323317840 FKVXNPRLUMIMNA-UHFFFAOYSA-N 430.887 6.137 30 10 IKEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@H](C2CCC2)C1 2323474391 OMJZZYNYNQVOQQ-BKMJKUGQSA-N 442.600 5.088 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCC(=O)NCc3ccccc3)cc2)cc1 2323536185 UTJJMTDDQZEHEW-UHFFFAOYSA-N 427.544 5.621 30 10 IKEE O=C(C=Cc1ccc(-c2ccccc2)cc1)Oc1ccc2c(c1)OC(=Cc1ccccn1)C2=O 2323648081 WQELVGMJQRNQQY-UHFFFAOYSA-N 445.474 5.984 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1F 2323805481 KJNUIJZEPHKOSU-UHFFFAOYSA-N 439.870 5.401 30 10 IKEE CC(C)Oc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)c1 2323808690 MSCLGGIRWUHADU-UHFFFAOYSA-N 434.875 5.963 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)cc1 2323829086 TVJOKVJYGQNWDN-UHFFFAOYSA-N 429.516 5.616 30 10 IKEE CCOc1c(Cl)cc(C=NNc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1OC 2323840368 SPHXCSIAVQTEMY-UHFFFAOYSA-N 447.944 5.334 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(OC)c1OCc1ccccc1C 2324172895 KXJOYDSQASIBSC-UHFFFAOYSA-N 440.583 7.331 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OCc1ccccc1 2324265935 FFHKUFAZTNNIJX-UHFFFAOYSA-N 444.571 7.001 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1cccs1)C2=O 2324335533 CFKZIYWALSZQCF-INIZCTEOSA-N 433.529 5.641 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2OC)C3=O)cc1 2324475328 ZJYRIPJJMBWWLT-KRWDZBQOSA-N 443.499 5.280 30 10 IKEE CCOc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3C)cs2)cc1OC 2324522169 XUNNJKZCCGSLDY-HXUWFJFHSA-N 432.545 5.724 30 10 IKEE CC(C)OC(=O)c1ccc(COc2ccc3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)o1 2325385210 RHMCIKPREBGRRI-UHFFFAOYSA-N 447.487 5.106 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCC(=O)Nc4ccc(F)c(F)c4F)ccc3C2=O)c1 2325532144 SNNOLEUEFSGYJW-UHFFFAOYSA-N 439.389 5.046 30 10 IKEE CCCCOc1ccc(C=Nn2c(CCC)nnc2SCc2ccccc2Cl)cc1 2325559017 OLWROQDJGCOABU-UHFFFAOYSA-N 443.016 6.237 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(F)cc3F)c2)cc1 2325734248 ZMRGWRMZBJNOGN-UHFFFAOYSA-N 438.426 5.487 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OC(=O)c1ccc(OCC(C)C)cc1 2325737630 KFAPJYKXXVMMLC-UHFFFAOYSA-N 444.527 6.154 30 10 IKEE CCOc1cc(C=Nn2c(CC)nnc2SCc2ccccc2)cc(Cl)c1OC 2326219529 VMXQUZVFEMOZTE-UHFFFAOYSA-N 430.961 5.076 30 10 IKEE Cc1cccc(CSc2nnc(C)n2N=Cc2ccccc2COc2ccccc2)c1 2326374918 KAADYXBUZGQKJN-UHFFFAOYSA-N 428.561 5.648 30 10 IKEE C=CCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc(C(C)C)cc1 2326606498 IGRUKOFJROJJQZ-UHFFFAOYSA-N 440.616 6.500 30 10 IKEE CCOc1cc(C=Nn2cnnc2SCc2cccc(F)c2)cc(Cl)c1OC(C)C 2326725895 JPYKANMSCLFLKZ-UHFFFAOYSA-N 448.951 5.431 30 10 IKEE C=CCSc1nnc(CCc2ccc(OC)cc2)n1N=Cc1ccc(Cl)cc1Cl 2328579783 KDHJRVZRVBFAJX-UHFFFAOYSA-N 447.391 5.539 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)cc2C)n1N=Cc1cccc(OCC)c1 2328897873 VSEDQXLAXAGHRG-UHFFFAOYSA-N 436.581 5.423 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3C)n2N=Cc2ccc[nH]2)cc1C 2328925896 ZNWFZQOAZJWACD-UHFFFAOYSA-N 429.593 5.491 30 10 IKEE CCCCOc1ccc(C=Nn2c(CCOc3ccccc3)nnc2SCCC)cc1 2329208777 LZNYMHDUDGSUMG-UHFFFAOYSA-N 438.597 5.463 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccccc1 2329489479 MMZVUKMQEPEZLJ-UHFFFAOYSA-N 447.007 6.200 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(C)c3)n2N=Cc2ccc(F)cc2)cc1 2329947278 MGOIETFQRMHLLD-UHFFFAOYSA-N 430.552 5.799 30 10 IKEE Cc1ccc(CSc2nnc([C@@H](C)c3ccccc3)n2N=Cc2cc(C)ccc2O)cc1 2330050956 GZMXHZFHRFKTTG-FQEVSTJZSA-N 442.588 5.927 30 10 IKEE Clc1ccc(CSc2nnc(-c3cccs3)n2N=Cc2cccc(Cl)c2)cc1 2330599862 CRUCNYHTUDRTNU-UHFFFAOYSA-N 445.400 6.488 30 10 IKEE O=C(Cc1ccccc1)Oc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1Cl 2330683216 CAHLNPVSLUWZQO-UHFFFAOYSA-N 430.931 6.263 30 10 IKEE CCc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2-c2ccccc2)cc1 2330690424 UXUOFWSHSHQFMJ-UHFFFAOYSA-N 432.980 6.335 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cc(Cl)ccc2Cl)cc1)c1ccccc1Cl 2330910634 GEABJDRTGZGPLQ-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)CCCSC 2331232522 FCUUJKGEYFGZDG-UHFFFAOYSA-N 438.589 5.985 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(N(C)C)cc1 2331282068 ZVVJLUQEKLUVMA-UHFFFAOYSA-N 429.516 5.575 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3)c(Cl)c2)c1 2331385243 MMRKAFPBYDCHLB-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccccc1 2331425144 VEVUDKSBXLMBNE-UHFFFAOYSA-N 428.528 6.498 30 10 IKEE CCSc1nnc(CC(C)C)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2331447314 DPHCPHXTTQVJJF-UHFFFAOYSA-N 428.989 5.703 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(F)c3)cc2)cc1 2331451109 OJPWKRCFYKGFQC-UHFFFAOYSA-N 448.490 5.667 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)cc(Cl)c1OC(=O)CC(C)(C)C 2331468504 SJTMIPIIYJNCTD-UHFFFAOYSA-N 436.935 6.740 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3F)cc2)c1 2331673665 NLQKXSBBIOTWOQ-UHFFFAOYSA-N 448.490 5.667 30 10 IKEE COc1cc(C=Nn2c(SCc3cccc(F)c3)nnc2C(C)C)ccc1OC(C)C 2331687976 MZPIIBKNLKTOLS-UHFFFAOYSA-N 442.560 5.511 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(C3CC3)n2N=Cc2ccc(C(C)C)cc2)c1 2331731028 KQXAWTNBKFZHPI-UHFFFAOYSA-N 447.608 5.509 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)c1ccncc1 2331770782 BHKOMYSCBJZOQJ-UHFFFAOYSA-N 449.934 6.174 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2sccc2C)c(Cl)c1 2331876626 RXWUMDQRDHEFAS-UHFFFAOYSA-N 447.339 6.487 30 10 IKEE CC(C)[C@@H](CCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339595947 FTLFRDXBIMRYNC-LJQANCHMSA-N 446.397 5.044 30 10 IKEE COC1(C#C[C@@H](N)c2cc(Br)cc(NC(=O)OC(C)(C)C)c2)CCCCC1 2363605438 DTRDHILBXRXQJF-GOSISDBHSA-N 437.378 5.149 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1cnc2c(c1)CCC2 2368002709 XHPQSDUERPYWRN-LJQANCHMSA-N 428.330 5.339 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(Nc2ccc(Br)cc2)[C@@H]1C(F)(F)F 2370262825 ZIYJUNSPJLOJJS-RHSMWYFYSA-N 448.283 5.085 30 10 IKEE CC(C)(C)OC(=O)Nc1nc2cc(Nc3c(Br)cccc3C#N)ccc2s1 2382210522 AGEYPGGTIFNPGX-UHFFFAOYSA-N 445.342 6.021 30 10 IKEE CCCCCCCCOc1ccc(/C=C2/N=C(/C=C/c3cccc([N+](=O)[O-])c3)OC2=O)cc1 2930247 TWAURIMGBNRVSE-CRMLCNCFSA-N 448.519 6.344 30 10 IKEE C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C 5440303 XJLZCPIILZRCPS-ANMPWZFDSA-N 440.756 8.725 30 10 IKEE C=CCn1c(S[C@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)nnc1-c1ccccc1 11056215 OFLOTASRSJPCKO-HXUWFJFHSA-N 446.620 5.093 30 10 IKEE CN(C)c1ccc(/C=C2/CCC/C(=C/c3ccc(N(C)C)cc3Cl)C2=O)c(Cl)c1 12340182 JYXJLAFLYANCKO-BKHHGCLFSA-N 429.391 6.345 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2OC)cc1 20882725 MREUQDOKDRPJDT-GDJIYFAZSA-N 440.543 6.073 30 10 IKEE COc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc([N+](=O)[O-])cc1 20884437 YRNZEJCDUBQTLI-WGDIFIGCSA-N 441.487 5.583 30 10 IKEE COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(Cl)cc1 21248783 HZFPRRJNCFQJTQ-MRDQGFSESA-N 430.935 6.328 30 10 IKEE C=CCn1c(SCC(=O)N[C@@H](CCC)c2ccccc2)nc2sc(C)c(C)c2c1=O 21253672 QVGHSEOXISGGHS-SFHVURJKSA-N 441.622 5.011 30 10 IKEE O=[N+]([O-])c1ccc(O)c(/C=N/c2cc(C(F)(F)F)ccc2OCC(F)(F)C(F)F)c1 22022805 FRSUZBXILMKHMN-JRXWSOMVSA-N 440.271 5.349 30 10 IKEE COc1ccccc1/C=C\C(=O)c1ccc(NC(=O)c2ccccc2Br)cc1 33417741 GRIDUHLZOPMRPW-QINSGFPZSA-N 436.305 5.606 30 10 IKEE O=C1N/C(=N\N=C\c2ccco2)S/C1=C/c1ccc(-c2c(Cl)cccc2Cl)o1 33568511 CITYEBDFSKZRQJ-ZBQZEMJLSA-N 432.288 5.440 30 10 IKEE C/C(=N/OCc1ccccc1C)c1cc(-c2ccc(F)cc2)n(-c2cccc(C)c2)c1C 35843456 KWDOIYRZCIZQHJ-OFWBYEQRSA-N 426.535 7.149 30 10 IKEE C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)nc2sccc2c1=O 36801336 QRTXCKUFGVEQBW-AWEZNQCLSA-N 427.595 5.061 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC)c2)[C@H]1c1cccc2ccccc12 40101110 KIYITROSWYGVQG-XMMPIXPASA-N 429.516 5.617 30 10 IKEE Cc1cc(OCC(=O)Nc2sc(=S)c3c(c2C#N)CC[C@@H](C)C3)ccc1C(C)C 41015129 RPRSBLTVRYDUFB-CQSZACIVSA-N 426.607 5.923 30 10 IKEE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CSCc1ccc(C#N)cc1 96549582 CHMXTSMPEDYNLU-UHFFFAOYSA-N 436.558 5.335 30 10 IKEE Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C\C(=O)OCc1cn2ccccc2c1C#N 98002350 BBKKVOMIOPIKSB-KHPPLWFESA-N 444.922 5.083 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 100154316 MXYQEYUOQUEIIW-UHFFFAOYSA-N 449.960 5.724 30 10 IKEE CCN1C(=O)C[C@H](C(=O)Nc2ccc(C)cc2C)S/C1=N\c1ccc(C)c(Cl)c1 100194235 OMRRAHKGRNEXRB-MAVBTGMRSA-N 429.973 5.245 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)c1ccc(OC[C@H]2CCCO2)cc1 100305661 AVBPTGKDFLCGLN-HHHXNRCGSA-N 445.688 7.456 30 10 IKEE CCCCN1C(=O)/C(=C2\Sc3ccc(Cl)cc3N2C)S/C1=N\Cc1ccccc1 102141905 MFFMEFJPFXZRQY-GRUILTLTSA-N 444.025 5.983 30 10 IKEE CCCCCCCNCc1cc(Br)c(OCc2ccc(C)cc2)c(OC)c1 102558129 VYHXCHXLNKWRRX-UHFFFAOYSA-N 434.418 6.405 30 10 IKEE Cc1ccc(-n2c(SCC(=O)NC3(C#N)CCCCCC3)nnc2-c2ccccc2)cc1 105666916 IDFCKJHXZSJQMD-UHFFFAOYSA-N 445.592 5.068 30 10 IKEE CC(C)c1ccc(-c2csc3ncnc(Nc4scc(C(C)(C)C)c4C#N)c23)cc1 169871374 VLPHWLSKCOBGGJ-UHFFFAOYSA-N 432.618 7.456 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2ccccn2)c(C)c1 169993871 ZRNXGCIONOJVER-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccccn1 169994304 HDQHRYZQFRXXHJ-QFIPXVFZSA-N 443.890 5.308 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccnc2)cc1 170003467 BWQLKQIEFGUCCB-JOCHJYFZSA-N 430.479 5.301 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2cccc3ccccc23)c1 170044620 VNXBOWPHKALBBY-NBGIEHNGSA-N 441.527 5.214 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccccn2)c1 170175398 LCXANHLXJOPZRB-DEOSSOPVSA-N 442.515 5.270 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2cccnc2)cc1C 170187972 JTJSCVDQDUJELB-DEOSSOPVSA-N 442.515 5.107 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccncc2)cc1C 170198324 XYLPYTYJJVQCAA-QFIPXVFZSA-N 448.544 5.019 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccncc1)c1cccc2ccccc12 170212456 ZOKMZUQWYNJAKT-DEOSSOPVSA-N 438.458 5.152 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccccc2)c1 170227755 PJQJORLOCFPLLV-HSZRJFAPSA-N 425.440 5.230 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)(C)C)c2)[C@@H]1c1ccccc1F 170252743 UEKQRIVVPNVUCW-QFIPXVFZSA-N 439.527 5.510 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@H]1c1ccc(CC)cc1 170267576 DHSFDGWMBOHDKM-OAQYLSRUSA-N 427.928 5.289 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccc2C)cc1C 170273217 NPGAOONGUHFFMG-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1Cc1ccncc1 170275054 RYOVWNSGSNUHCY-VWLOTQADSA-N 438.527 5.047 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccco1 170282412 JJTKRKGXKHZVME-QFIPXVFZSA-N 433.479 5.808 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccco1 170287973 WBPCSYSRDDCPBX-LJQANCHMSA-N 444.270 5.378 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1sccc1C 170315376 JLNDVBMMWMLYBS-OAQYLSRUSA-N 428.513 5.629 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(OC(C)C)cc2)cc1 170328478 VFPUFHQQSHECSK-DEOSSOPVSA-N 443.499 5.265 30 10 IKEE N#C[C@H](c1cccc(C(F)(F)F)c1)c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1 247705448 CZKHNYZFQRJVTP-GFCCVEGCSA-N 449.276 6.342 30 10 IKEE Oc1cccc(C=Nn2c(-c3cc4ccccc4o3)csc2=NCc2ccccc2)c1 254293133 FTUSVXBWKRQWLB-UHFFFAOYSA-N 425.513 5.652 30 10 IKEE CCC(C)(C)[C@H]1CCc2sc3ncnc(NN=Cc4ccc(C(=O)OC)cc4)c3c2C1 254391572 KGDVACCFUJRFCB-KRWDZBQOSA-N 436.581 5.465 30 10 IKEE CN1/C(=C2/SC(=Nc3ccc(O)cc3)N(c3ccccc3)C2=O)Sc2ccccc21 254738058 FJBYRSYQUVIOPF-JSYGVCDLSA-N 431.542 5.571 30 10 IKEE Cc1ccccc1N=C1S/C(=C2/Sc3ccccc3N2C)C(=O)N1C1CCCCC1 254837109 YKANPUHHWKGAIN-CSFSZXLXSA-N 435.618 6.302 30 10 IKEE CCCN[C@@H](CC#CC(C)(C)C)c1cc(Br)ccc1I 383537857 ORSYRLYFISRWPR-INIZCTEOSA-N 448.186 5.534 30 10 IKEE N#CC1(CNc2c(Br)cc(Br)cc2Br)CCCC1 405149428 CXWXFWHTJVQFRU-UHFFFAOYSA-N 436.973 5.470 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccc(OC)c2)cc1 526605752 ZWZNHNYLBHSMCH-DEOSSOPVSA-N 426.472 5.023 30 10 IKEE CC(C)Oc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Cl)cc2)cc1 526710533 QDMXUSAFJVONIY-QHCPKHFHSA-N 447.918 5.910 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1/N=C\c1c(C)n(C)c2ccccc12 526803807 OJYAXFAXQBQJIB-YSMPRRRNSA-N 435.572 5.734 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccc(N(CC)CC)cc1 526816739 MEHRQJRCKHJCFJ-XYGWBWBKSA-N 442.032 5.905 30 10 IKEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1ccccc1Cl 526829519 NGNQBDGVBYKENR-XKZIYDEJSA-N 429.933 5.357 30 10 IKEE CCOc1ccc(C(=O)C[C@@H]2SC(=Nc3ccc(-c4ccccc4)cc3)NC2=O)cc1 606657491 RLGGSHCUTDJEHS-QHCPKHFHSA-N 430.529 5.244 30 10 IKEE C#CCCCCC[C@H](NC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 686700562 CPKSNVZYQREDLY-VQTJNVASSA-N 437.422 5.057 30 10 IKEE CCCCCCCCCC[C@H](O)c1ccc(Br)cc1NC(=O)OC(C)(C)C 696383151 XCTQQFBYFGUWRA-FQEVSTJZSA-N 442.438 7.360 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1cccc(Cl)c1F 698455939 MFQUSOGXOFMOPV-INIZCTEOSA-N 439.712 6.248 30 10 IKEE CCCCCCCCCC[C@H](N)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 707822399 CPHZBGLJLHKLHK-XWGVYQGASA-N 434.665 6.343 30 10 IKEE COc1ccc(C(=O)ON=C2C[C@@]3(C(=O)Nc4ccc(F)cc4)CC[C@@]2(C)C3(C)C)cc1 1772722166 ACZHAZBBVJEPFH-JWQCQUIFSA-N 438.499 5.202 30 10 IKEE CN1C(=O)/C(=C/c2ccc(-c3ccccc3Cl)o2)SC1=Nc1ccncc1Cl 1772735958 WGKVWCKTLAJBCE-WEYXMBDUSA-N 430.316 5.882 30 10 IKEE CCCCCCCCCCn1cc(OCc2ccc([N+](=O)[O-])cc2)c(=O)cc1C(=O)O 1857891410 VBZBYWGWLRTISA-UHFFFAOYSA-N 430.501 5.174 30 10 IKEE CC[C@H](C)N(C(=O)c1c(F)cccc1Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1859899762 VRTNUOXGHYFABR-JTQLQIEISA-N 441.774 6.962 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(F)cc2F)cc1C 1862403516 YDNPTUSPVDBHJX-JOCHJYFZSA-N 441.474 5.193 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@H]2c2cccc(C)c2)c1 1862411628 LUWLTPCNVJCWFE-HSZRJFAPSA-N 433.454 5.360 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2C2CCCC2)c1 1862459014 ACGWIRKLOXYRGF-NRFANRHFSA-N 445.437 5.024 30 10 IKEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc(F)c2)cc1 1862473332 AHCAQWGLZLEREA-XDHUDOTRSA-N 445.490 5.482 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 1862482176 NBNIVSNZNLRKPV-FQEVSTJZSA-N 432.347 5.926 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2cccc(Cl)c2)c1 1862491611 XNHOQBLOESRSBI-LXBDKUERSA-N 437.967 6.114 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(O)c2)=C(O)C(=O)N1C12CC3CC(CC(C3)C1)C2 1862589991 YGNURFVUEBSFKF-RZNVFEIWSA-N 443.543 5.248 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 1862622324 HMZRKCMCFJQKBT-HXUWFJFHSA-N 445.481 5.990 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(F)cc1F)c1cccc2ccccc12 1862651677 XGSZEXYEDGUHMT-HSZRJFAPSA-N 445.421 5.490 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(Cl)cc1 1862652567 JEOKEDVTCXWZPK-XMMPIXPASA-N 447.962 6.652 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccc1[N+](=O)[O-] 1862654700 QCLRXZBCKCAVLX-IVZQSRNASA-N 430.460 5.125 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2Cl)[C@H]1c1cccc(F)c1)c1ccc(F)cc1 1862672376 BTACQJIIRDYPAS-NRFANRHFSA-N 439.845 5.397 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2Cl)c1 1862700100 AZQGYUOUGVXKOU-NRFANRHFSA-N 425.912 5.260 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccc(F)c1 1862724703 RSJREZLIOWFMBX-XMMPIXPASA-N 429.491 5.871 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C)c2C)=C(c2ccc(F)cc2F)C1=O 1863309563 KAOXUVBGQSVELJ-UHFFFAOYSA-N 440.534 6.134 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC[C@H](C)O)=C(c2cccc3ccccc23)C1=O 1863582854 CTPLDTDTMBVHMN-FQEVSTJZSA-N 436.596 5.031 30 10 IKEE CCCCCCCCNC1=C(c2ccc(OCc3ccccc3)cc2)C(=O)N(C(C)C)C1=O 1863703881 NLNREHCHJVHAKG-UHFFFAOYSA-N 448.607 5.704 30 10 IKEE CC(C)c1ccc(/C=C/C(=O)Nc2c(C#N)nnn2-c2ccc(Cc3ccccc3)cc2)cc1 1870141102 ZXOFUSRCUCOIDQ-SFQUDFHCSA-N 447.542 5.505 30 10 IKEE CCCCCCCCn1cc(OCC(=O)NCC)c(=O)cc1CSc1ccc(C)cc1 1870289951 HNBIXUOEJOVRCZ-UHFFFAOYSA-N 444.641 5.324 30 10 IKEE C=CCOc1cn(Cc2ccc(F)cc2)c(CNc2ccc(OC(F)(F)F)cc2)cc1=O 1870809216 QGSLTTWTUVDMLM-UHFFFAOYSA-N 448.416 5.111 30 10 IKEE C=CCOc1cn(CCCOCC)c(CNc2ccc(Cc3ccccc3)cc2)cc1=O 1870810294 WHVXOMMQASWPJP-UHFFFAOYSA-N 432.564 5.043 30 10 IKEE C=CCOc1cn(CCCOCCCC)c(CNc2ccc(N(CC)CC)cc2)cc1=O 1870810815 TUYFYPVJZPOPTB-UHFFFAOYSA-N 441.616 5.078 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(CCC3=CCCCC3)C4)C2=O)cc1 1871354811 CDICCIFXYWTZJX-MYYYXRDXSA-N 445.559 6.052 30 10 IKEE COc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN(Cc2cccc(Cl)c2)C3)C1=O 1871355771 UUXNTYDEXFDYFU-FMCGGJTJSA-N 447.918 5.625 30 10 IKEE Cc1cc(OC(=O)c2cccc([N+](=O)[O-])c2C)cc2c1C(=O)/C(=C/c1ccc(F)cc1)O2 1871372568 YMGNCAPSXKGJDK-NHDPSOOVSA-N 433.391 5.186 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(OC)cc2)C3=O)cc1 1871375272 CKZASLRWQUUCNZ-IWIPYMOSSA-N 444.483 5.167 30 10 IKEE Cc1c(OC(=O)c2ccc(OC(C)C)cc2)ccc2c1O/C(=C\c1ccc(F)cc1)C2=O 1871388400 UGSKWYFHMKZHNU-UCQKPKSFSA-N 432.447 5.757 30 10 IKEE CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O 1871401830 ACRTUEGCXLGESO-YZLQOSHFSA-N 435.501 5.169 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(C)cc1)C2=O 1871402717 NADIZSKJTQCWIT-MGKUZBKYSA-N 441.527 5.888 30 10 IKEE CCOC(COc1ccc2c(c1C)O/C(=C\c1cccc(Br)c1)C2=O)OCC 1871415978 FBVYNCMDCRBCMN-UNOMPAQXSA-N 447.325 5.152 30 10 IKEE CCCCCCCCCOc1ccc2c(=O)c(-c3ccc(Br)cc3)coc2c1 1871429377 FARQGBKIZQEEBY-UHFFFAOYSA-N 443.381 7.352 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OCc4ccc(C(=O)OC(C)C)o4)c3C)C2=O)cc1 1871439098 HPEXHFZDXNHEHF-OYKKKHCWSA-N 446.499 5.911 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccc2c(c1C)O/C(=C\C=C\c1ccccc1)C2=O 1871440457 PUFMDSZDRTZTQU-CSNXJAGESA-N 439.511 5.802 30 10 IKEE CCN(CC)CCOc1ccc2c(c1C)O/C(=C\c1cn(CC)c3ccc(OC)cc13)C2=O 1871451665 HIBYQYRURCXWRP-MYYYXRDXSA-N 448.563 5.315 30 10 IKEE CCCCc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871455757 YRVJUHCOTANIFB-QQXSKIMKSA-N 441.527 5.971 30 10 IKEE C=CCN([C@H](CCC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872526316 WNOSYVYPAMAQSX-HSZRJFAPSA-N 442.625 5.213 30 10 IKEE CC(C)c1ccccc1O[C@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc3ccccc3c2)cs1 1872760074 GTRUQVYXXMCDHE-JPYJTQIMSA-N 440.568 6.730 30 10 IKEE CCOc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872762110 DJFWAKKJVCEMNG-HNNXBMFYSA-N 447.343 5.771 30 10 IKEE COc1ccc(C)cc1-c1csc([C@H](C#N)C(=O)[C@H](C)Oc2ccc(Cl)cc2)n1 1872770777 FBNCGFMVBCBZHP-KBXCAEBGSA-N 426.925 5.424 30 10 IKEE Cc1cc(C)c(-c2csc([C@@H](C#N)C(=O)Cc3ccc(Br)cc3)n2)c(C)c1 1872786101 DJMYRGSWFCLIJJ-SFHVURJKSA-N 439.378 5.917 30 10 IKEE CCCCCCN1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873278737 WZZAFHMINCOTPT-UHFFFAOYSA-N 449.554 5.998 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C)cc2)=C(c2c(C)cc(C)cc2C)C1=O 1873331483 MLENZLZBFORUMB-UHFFFAOYSA-N 432.608 6.473 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(F)c(Cl)c2)cc2c(NCCCCCC)ncnc21 1873638607 BNSSBVNMHGJAAO-UHFFFAOYSA-N 429.927 5.654 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C(C)(C)C)cc2)cc2c(N3CCC(C)CC3)ncnc21 1873644182 CLPOUQUPKBXDEK-UHFFFAOYSA-N 431.584 5.403 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(CCCC)cc2)cc2c(N(CCC)CCCC)ncnc21 1873659257 ITFMQAYZXIEYIB-UHFFFAOYSA-N 447.627 6.229 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1cccc(O)c1 1874204125 KPZOYIUGQFGJGE-AUEPDCJTSA-N 449.363 5.420 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1cccc(Cl)c1 1874253487 DCDLXSFGFRYQOI-LFVJCYFKSA-N 426.973 5.412 30 10 IKEE CCCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc2c(c1)OCCO2 1874271207 JVZMYYPGYXJMHO-YZSQISJMSA-N 444.560 5.178 30 10 IKEE CCCSc1nnc(COc2c(C)cccc2C)n1/N=C/c1c(Cl)cccc1Cl 1874300500 RZPXJOZBWXGXCA-WYMPLXKRSA-N 449.407 6.165 30 10 IKEE C=CCSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1ccc(C(F)(F)F)cc1 1874328083 VSTJUKIBQZMGNU-LGJNPRDNSA-N 446.498 5.653 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccccc3Cl)n2/N=C/c2ccccc2C)cc1 1874365146 NBRBAYSSXXPLAX-CVKSISIWSA-N 432.980 6.390 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccccn1 1874399497 QWQZQFHEPZZGJM-CIRUFVMISA-N 433.968 5.653 30 10 IKEE COc1ccccc1/C=N/n1c(Cc2cccs2)nnc1SCc1cccc(C)c1 1874410249 KQBUQDVWGBHGFU-BUVRLJJBSA-N 434.590 5.422 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccccc3)n2/N=C/c2ccc(C(=O)O)cc2)c1 1874426688 VKTUDMZIHMOKAJ-MFKUBSTISA-N 428.517 5.126 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(CC(C)(C)C)n2/N=C/c2sccc2C)c1 1874437471 CSMROHSCPGCVLZ-YDZHTSKRSA-N 441.626 5.158 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2F)n1/N=C/c1ccc(C(C)(C)C)cc1 1874438864 XLMLHKJRTLMMPY-JVWAILMASA-N 438.616 6.478 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1/N=C/c1ccc(N(CC)CC)cc1 1874476603 RWJPKFHVQOUUIO-YZSQISJMSA-N 439.604 5.781 30 10 IKEE CC(C)(C)c1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1c[nH]c2ccccc12 1874486408 QGXLUTVXVGNWBG-RPPGKUMJSA-N 441.963 6.024 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C2CCC2)cc1 1874494884 JODZIDMBYVERNJ-WGOQTCKBSA-N 438.572 6.038 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2cccc(Cl)c2)cc1 1874511680 KAPVHSCLOFXOTP-ZMOGYAJESA-N 441.988 5.230 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C(C)C)cc1 1874517441 UDVXGWOOHWKBDF-BRJLIKDPSA-N 447.435 7.006 30 10 IKEE CCc1nnc(SCC(=O)Nc2ccccc2C)n1/N=C/c1ccc(Cl)cc1Cl 1874524197 BMCHUFLWFKNZSV-FOKLQQMPSA-N 448.379 5.069 30 10 IKEE CCCCCCOc1ccc(/C=N/n2c(S)nnc2CCc2ccccc2)cc1OC 1874560535 CFARYDYIWWWTCH-XIEYBQDHSA-N 438.597 5.202 30 10 IKEE CCCCOc1ccccc1/C=N/n1c(S)nnc1CCCOc1c(C)cccc1C 1874568288 QECKTOKYBIZQAB-KOEQRZSOSA-N 438.597 5.256 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2ccccc2C)cc1C 1874574643 XQRAVSFZEMPFRJ-WYMLVPIESA-N 445.515 5.234 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCc3cccc(Cl)c3)ccc3ccccc23)cc1 1874575117 WNTUGCKXNCIRQR-CCEZHUSRSA-N 428.915 6.977 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(Cl)cc2)c1OCC(=O)Nc1ccccc1C 1874578395 LWZAKPVAXALAAF-NTCAYCPXSA-N 435.907 5.571 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(Cl)ccc1OCc1cccc2ccccc12 1874581454 OPANOZJVCIJUEB-ACCUITESSA-N 442.942 7.285 30 10 IKEE CCc1ccc(NC(=O)COc2cc(/C=C/C(=O)c3ccc(C)cc3)ccc2OC)cc1 1874596633 VJNZINXPUNJATC-OQLLNIDSSA-N 429.516 5.480 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1OCC(=O)Nc1ccccc1 1874599444 NESXMPJGQBQFPC-ACCUITESSA-N 443.543 5.842 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1Cl 1874620983 DMJXGAFZZMMGHE-RMKNXTFCSA-N 449.890 5.291 30 10 IKEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1OCC 1874635345 LVEAQAUOWCROFQ-JLHYYAGUSA-N 438.564 5.919 30 10 IKEE COc1cccc(C(=O)/C=C/c2cccc(OC(=O)c3cccc(Br)c3)c2)c1 1874695114 LEVZSZDOSUVKOW-VAWYXSNFSA-N 437.289 5.573 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc4cc(Cl)ccc4n3)c2)cc1 1874697898 QFIQVTHQOCORBV-LHHJGKSTSA-N 443.886 6.012 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2ccccc2OC)cc1OC(=O)C1CCC1 1874699006 YREOSYLBDMRHJT-ZHACJKMWSA-N 445.309 5.068 30 10 IKEE CCCC(=O)Oc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)c(Br)cc1OC 1874710271 ZNTQKYCFYUSZGM-SOFGYWHQSA-N 439.252 5.338 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1OC(=O)c1ccccc1OC 1874712746 OZPWBYAPGDFTGV-JLHYYAGUSA-N 446.499 5.445 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(Cl)c1OC(=O)c1ccccn1 1875094979 SCQIPOPCZPTLKL-FMIVXFBMSA-N 443.886 6.012 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(OC)c1OC(=O)c1cncc(C)c1 1875101358 MCPUIGSCRQZUEV-JLHYYAGUSA-N 441.527 5.805 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)ccc1OC(=O)c1ccccc1F 1875109408 MJAMSWUQIKVWCT-FMIVXFBMSA-N 434.463 5.657 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OC(=O)CCc1ccccc1C 1875110247 BOSSNTRAQJZJJO-SDNWHVSQSA-N 434.919 6.091 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OC(=O)Cc1ccc(F)cc1F 1875110492 NSVXMLDZWSJAKL-UXBLZVDNSA-N 442.845 5.671 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@H]2C[C@H]2c2ccccc2Cl)cc1)c1ccccc1Cl 1875111474 IZLFWPOIRIXPKZ-SAAUVRMOSA-N 437.322 6.599 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2OC)cc(OC)c1OC(=O)c1ccccc1F 1875119637 DTWGWNKEJKCKEO-CCEZHUSRSA-N 446.474 5.687 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC(=O)Cc1cc(C)ccc1C 1875125540 NVFMWJSNOOJKRJ-NTUHNPAUSA-N 448.946 6.400 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c(Cl)c2)c1 1875139459 JXBWLKPOJOVASB-UXBLZVDNSA-N 449.890 6.289 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cc(Cl)ccc2Cl)cc1)c1ccc2c(c1)OCO2 1875150254 DEKJJSAAZUEIBA-YCRREMRBSA-N 441.266 5.837 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)c1ccccc1F 1875155577 JDFSYNACWCGBCM-NTEUORMPSA-N 448.490 6.082 30 10 IKEE CCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2ccc(OCC)cc2OCC)cc1OC 1875177702 RYLSDLWXACHAEN-JLHYYAGUSA-N 442.508 5.103 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2ccc(OC(=O)C3CC3)c(Cl)c2)cc1Cl 1875185721 LFIGCEDCOQIXJB-QHHAFSJGSA-N 425.695 5.867 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(F)c(F)c2)cc1 1875192039 QXNAUSSOWSIYLS-ONNFQVAWSA-N 428.818 5.742 30 10 IKEE C#CCCCCC[C@H](N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875646725 PKLCRBNKRNDCGK-WNJJXGMVSA-N 443.587 5.789 30 10 IKEE CC#CCCC[C@@H](NCCC)c1ccc(I)c(Br)c1 1879642270 XROVKXPQOCISQK-MRXNPFEDSA-N 434.159 5.288 30 10 IKEE COC(=O)c1cc(N=[N+]=[N-])cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c1C 1887521103 PZEBTMPVJULXOE-UHFFFAOYSA-N 428.448 6.084 30 10 IKEE CCN(CC)c1cccc(OCC#CCNC(=O)c2ccc(-c3ccc(OC)cc3)cc2)c1 1891710778 NAXSUODFKZXNSF-UHFFFAOYSA-N 442.559 5.021 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@H](NC(=O)OC(C)(C)C)C(C)C 1941061325 KCJYAEDIFHPENS-DVECYGJZSA-N 431.577 5.568 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 1944375139 DSMKJLAYOOCYEV-HOOSLVGPSA-N 435.609 5.484 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1949107954 CUZLDBKCUBUQQM-TWWFPWMWSA-N 447.963 5.373 30 10 IKEE C=CCC[C@@H](C)[C@@H](NCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 1996467088 MYPONGLPFDCMIZ-FYYLOGMGSA-N 429.649 5.126 30 10 IKEE C=C1CCC(C[C@@H](O)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)CC1 1997447459 JRUGEAQCHAPJCY-ZEQKJWHPSA-N 429.601 5.328 30 10 IKEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1ccccc1NC(=O)OC(C)(C)C 2031832389 PNEIHZJHIDBRRJ-HXUWFJFHSA-N 446.592 5.177 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@]1(C#N)CN(Cc2ccccc2)C2(CCCC2)C1 2038664308 CDPXQOQZLIACQT-MHZLTWQESA-N 437.628 6.037 30 10 IKEE C=CCn1c2ccccc2n2nc(C)c(C(=O)C=Cc3ccc(OC(F)F)c(OC)c3)c12 2042448941 LKUKKQSCWUCMMG-UHFFFAOYSA-N 437.446 5.290 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)[C@@H]2CC[C@H]21 2057587898 YZWTWFUXFPVVDG-UMEGOILYSA-N 447.620 5.628 30 10 IKEE C=CCC[C@H](C)[C@H](N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071353146 GBVCTKXVOYJIAX-NUKCWJJBSA-N 431.576 5.808 30 10 IKEE C#CCCC[C@@H](NC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071354726 KZQAGMBMWOWVOL-LEAFIULHSA-N 429.560 5.270 30 10 IKEE COC(=O)c1c(C(F)(F)F)nn([C@H](c2ccc(C(F)(F)F)c(F)c2)C(C)(C)C)c1N 2080048930 ZOMFUMMRTNYTJS-CYBMUJFWSA-N 441.347 5.064 30 10 IKEE CCCOc1ccc([C@H](C2CC2)n2nc(C3CCC3)c(C=NO)c2Br)cc1 2080064233 PSLTUCYBCWUZRM-FQEVSTJZSA-N 432.362 5.509 30 10 IKEE CC1(C)OB(C=C2CCN(C(=O)c3ccccc3OCc3ccccc3)CC2)OC1(C)C 2107457800 XGWLGWHKSRTYJT-UHFFFAOYSA-N 433.357 5.059 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCCC[C@]12CCNC2 2156247142 IGRLECVJHVFESM-NHCUHLMSSA-N 434.378 5.007 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)C(CC)(CC)CNC(=O)OC(C)(C)C 2235734456 XEGJVBVVDFOINB-LJQANCHMSA-N 437.422 5.110 30 10 IKEE C=CCCCCCC[C@@H](O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237397855 HTGFMYMRNCHISO-WOJBJXKFSA-N 440.422 5.772 30 10 IKEE CC1(C)OB(c2cc(Cl)ccc2C(=O)N(Cc2ccccc2)C2CCCC2)OC1(C)C 2255820992 CEWJOABKSXELCS-UHFFFAOYSA-N 439.792 5.224 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)cc(C(C)C)c1 2280707942 FIYPXRBRGPSIEE-PMACEKPBSA-N 439.438 6.083 30 10 IKEE C=CCC(C)(C)CO[C@](C)(C(=O)O)c1cc(Br)c(Br)s1 2281196036 VGDDCVJVCISGPC-AWEZNQCLSA-N 426.170 5.192 30 10 IKEE CC(=NCc1ccc(F)cc1)c1c(-c2ccccc2)[nH]n(-c2nc3ccccc3s2)c1=O 2293579773 HGMLPDPARCTNCY-UHFFFAOYSA-N 442.519 5.591 30 10 IKEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc([C@@H](O)C#Cc2cccc(Br)c2)cc1 2296218850 IXFBUMMAUYJQJO-QRWLVFNGSA-N 430.342 5.120 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc(CC[C@@H](O)C#Cc2cccc(Br)c2)c1 2296224408 JRPQHZNWWAEREY-FQEVSTJZSA-N 430.342 5.141 30 10 IKEE Fc1cccc(-c2nc3cc(N=Cc4cc5c(cc4Br)OCO5)ccc3o2)c1 2296647272 BPMVRUHZIQKVBE-UHFFFAOYSA-N 439.240 5.876 30 10 IKEE Cc1ccc(N=C2SC(=C3Sc4ccccc4N3C)C(=O)N2c2ccccc2)c(C)c1 2297707879 VOWKBWSZKSCQPS-UHFFFAOYSA-N 443.597 6.482 30 10 IKEE O=C1C(=Cc2cccc(Cl)c2Cl)Oc2cc(OCc3c(F)cccc3Cl)ccc21 2314437877 ZDHDROQGBNPUFU-UHFFFAOYSA-N 449.692 6.981 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1 2314479038 YZOUVOYIZRDXLU-RUZDIDTESA-N 441.527 5.755 30 10 IKEE CN1C(=O)C(=Cc2ccc(-c3ccccc3Cl)o2)SC1=Nc1cccnc1Cl 2314540007 GTDRMWCXACMAHA-UHFFFAOYSA-N 430.316 5.882 30 10 IKEE O=C1C(=Cc2ccccc2F)SC(=NN=Cc2ccc(Cl)cc2)N1Cc1ccco1 2314819099 SAZNLMJUCAEFNY-UHFFFAOYSA-N 439.899 5.579 30 10 IKEE N#Cc1ccc(Br)cc1Oc1cc(Br)cc(Br)c1 2316720394 OKUGNTXHSGGRNH-UHFFFAOYSA-N 431.909 5.638 30 10 IKEE CC(C)(C)OC(=O)NC1([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)CCCCC1 2318921752 WMULNBHXOQYRSI-FQEVSTJZSA-N 449.636 6.066 30 10 IKEE O=[N+]([O-])c1cccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C2CC2)c1 2320868015 TXJLURZQMWCVGF-UHFFFAOYSA-N 448.335 5.545 30 10 IKEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1cccc2ccccc12 2321168612 SESXFHGMYKXUPJ-UHFFFAOYSA-N 427.360 6.221 30 10 IKEE Cc1cccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2cc(C)ccc2C)C4)c1 2322170969 GJHCRUFNYVQZBP-UHFFFAOYSA-N 425.528 5.889 30 10 IKEE CCc1ccc(OCCCc2nnc(S)n2N=Cc2c(OC)ccc3ccccc23)cc1 2322217862 DTUROJXITPAGBN-UHFFFAOYSA-N 446.576 5.185 30 10 IKEE COc1ccc([C@H](C)N2COc3cc(C)c4c(c3C2)OC(=Cc2ccc(F)cc2)C4=O)cc1 2322244665 LILXIKUIOALIIL-KRWDZBQOSA-N 445.490 5.672 30 10 IKEE Fc1cccc(Cl)c1C=Nn1c(S)nnc1COc1cc(Cl)ccc1Cl 2322256103 DVYKZXNPCYLBMP-UHFFFAOYSA-N 431.707 5.127 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccccc1OCc1ccccc1C 2322828297 PADUUICTYNEWGB-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1 2323022613 XPNQTVMZUOWMPG-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1OCc1cc(C)ccc1C 2323040409 GNPUIKDTUHFUNH-UHFFFAOYSA-N 448.562 7.454 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc2c(c1)OC(=Cc1c(F)cccc1Cl)C2=O 2323222464 BPABLJJYHCKQLC-UHFFFAOYSA-N 426.802 5.383 30 10 IKEE CC(C)Oc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)c1 2323808012 PTGPRDXSFBBZJD-UHFFFAOYSA-N 442.511 6.433 30 10 IKEE CCCCOC(=O)COc1ccc2c(c1C)OC(=Cc1c(Cl)cccc1Cl)C2=O 2324297887 JTBWVQDWTVYPIN-UHFFFAOYSA-N 435.303 5.640 30 10 IKEE COc1cccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccc(C)cc4C)ccc3C2=O)c1 2324494143 UINNNNNFIHJUFR-SFHVURJKSA-N 443.499 5.334 30 10 IKEE CCCCCCOC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc(N(C)C)cc1)C2=O 2325031543 ZPJBWYGJPXCGCT-UHFFFAOYSA-N 437.536 5.180 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OCc3c(Cl)ccc(Cl)c3Cl)ccc2C1=O 2325169629 JQCBNXYFLNAJKT-UHFFFAOYSA-N 445.729 7.150 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3)n2N=Cc2cccc(F)c2)c1 2325448704 GGVRQIVTOLMDJR-UHFFFAOYSA-N 444.579 5.994 30 10 IKEE CCCCc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2)C3=O)cc1 2325719905 YPFYBKOILHXPKL-UHFFFAOYSA-N 441.527 5.971 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2ccc(C)cc2)cc1OC(=O)C1CCC1 2325738181 HPXKLQAKNYUEMC-UHFFFAOYSA-N 429.310 5.368 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cccc(OC(=O)c2cc3ccccc3n2C)c1 2325757872 WFZGXCOOPBLIGO-UHFFFAOYSA-N 439.511 5.919 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)CCCOc3ccccc3)c2)c(C)c1 2325764704 UEJKSGVMVODSTN-UHFFFAOYSA-N 428.528 6.273 30 10 IKEE CCOc1c(Cl)cc(C=Nn2cnnc2SCc2cccc(Cl)c2)cc1Cl 2326466279 XBOGITSVSYDYRD-UHFFFAOYSA-N 441.771 5.812 30 10 IKEE CCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1cccc2ccccc12 2326519868 NERWZUGQMLPWAG-UHFFFAOYSA-N 436.968 5.966 30 10 IKEE CCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1ccc(N(CC)CC)cc1 2326674347 YYAKRMOYUDFARI-UHFFFAOYSA-N 432.597 5.123 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2ccccc2F)n1N=Cc1ccncc1 2328557164 CUYOSPFWDFDOGZ-UHFFFAOYSA-N 447.539 5.183 30 10 IKEE Cc1ccc(C=Nc2c(-c3nc(-c4ccccc4)cs3)nnn2Cc2ccccc2)cc1 2328605918 AQJVJSBVXMOROC-UHFFFAOYSA-N 435.556 6.176 30 10 IKEE CCc1ccc(C=Nn2c(Cc3ccccc3F)nnc2SCc2cccc(C)c2)cc1 2329717219 XUESCRFCFYVSFL-UHFFFAOYSA-N 444.579 6.053 30 10 IKEE COc1ccc(C=Nn2c(Cc3ccccc3F)nnc2SCCc2ccccc2)cc1 2329750456 BUCCYFVVNIZSFS-UHFFFAOYSA-N 446.551 5.234 30 10 IKEE CCOc1cccc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccccc2)c1 2330271369 QNSXJVVKGLLHHO-UHFFFAOYSA-N 434.609 5.974 30 10 IKEE Fc1ccccc1CSc1nnc(Cc2cccs2)n1N=Cc1ccccc1Cl 2330392404 YEIIFYRDZMINBW-UHFFFAOYSA-N 442.972 5.897 30 10 IKEE CCCSc1nnc(Cc2cccs2)n1N=Cc1ccc(OC(C)C)c(OC)c1 2330419032 YDKJMWCICPEZIS-UHFFFAOYSA-N 430.599 5.111 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] 2330631866 QBQOPHSIRVWTKV-UHFFFAOYSA-N 438.436 5.275 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cccs3)c(Cl)c2)cc1OC 2330718401 UIWUPGIIMZPWCS-UHFFFAOYSA-N 442.920 5.463 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2OC)cc(OC)c1OC(=O)c1sccc1C 2331080130 BPNRXOAEWVMRTL-UHFFFAOYSA-N 448.540 5.918 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OC 2331236646 QCXIHUVYPPCLSJ-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(N(C)C)cc3)cc2)cc1 2331295597 GXZNWUYFNUPWEO-UHFFFAOYSA-N 429.516 5.657 30 10 IKEE CCOc1cc(C=Nn2c(SCC)nnc2C(C)(C)C)ccc1OCc1ccccc1 2331389364 XQSBUCBZUIJIDE-UHFFFAOYSA-N 438.597 5.548 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(CC(C)C)n2N=Cc2cccc(Cl)c2)c1 2331437960 YOOIQAXADMDXIT-UHFFFAOYSA-N 441.988 5.051 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3c(C)ccc(C)c3C)cc2)cc1F 2331451003 AXWKVKRBVVDYMG-UHFFFAOYSA-N 448.490 5.640 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OC(=O)CCc1ccccc1 2331485505 BDLIZGKPUIOSGG-UHFFFAOYSA-N 436.507 6.283 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)CC(C)(C)C)c(Cl)c1 2331548591 IUVVPQGPKOEEKG-UHFFFAOYSA-N 442.983 6.884 30 10 IKEE CN(C)c1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(F)c3)cc2Cl)cc1 2331558655 YFWNVNQAMJSFDL-UHFFFAOYSA-N 441.861 5.800 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OC(=O)CCOc3ccccc3)cc2)c1C 2331644669 NKOOUXWSSMCEDR-UHFFFAOYSA-N 428.528 6.191 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1Cl 2331664023 QUCMDINRIYZBEE-UHFFFAOYSA-N 428.956 6.737 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)Cc1ccccc1 2331668554 AGXVDPGQUMAFLW-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)C=Cc2ccc(C)cc2)n(-c2ccccc2Cl)n1 2331684976 MBOWJIHUZCLCFV-UHFFFAOYSA-N 433.943 5.059 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)C3CCCC3)c(OC)c2)c(OCC)c1 2331741201 JGFSASXRXHWFGO-UHFFFAOYSA-N 438.520 5.484 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3cc(Cl)cc(C)c3OC)cc2)c1 2331752553 PFYDTHZZQZAOHH-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cc(Cl)ccc3Cl)cc2)cc1 2331859122 PEDVSWISPRGZSP-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE CC1(C)OB(c2ccc(Nc3ccc(Cl)c(Br)c3Cl)nc2)OC1(C)C 2337025696 LHJKBYGWQTYING-UHFFFAOYSA-N 443.965 5.194 30 10 IKEE C[C@@H](Nc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1)c1cscc1Br 2339395425 SCTSVJIBMBCUHB-SNVBAGLBSA-N 443.603 5.031 30 10 IKEE CCC[C@@H](CNC(=O)OC(C)(C)C)COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339575552 YBUQWYJLEMFSMW-KQDNUWKFSA-N 446.397 5.046 30 10 IKEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339587548 WGELNUFYEATCRC-LJQANCHMSA-N 445.413 5.078 30 10 IKEE CO[C@]1(C)C[C@@H]2C[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2356220617 XOUSCIQRPDEWQL-YJPXFSGGSA-N 435.362 5.288 30 10 IKEE CC1(C)OB(c2ccc(CSCc3cccc(Br)c3)c(F)c2)OC1(C)C 2369070650 KZZBIKUGNQDRKH-UHFFFAOYSA-N 437.183 5.321 30 10 IKEE Cc1scc(C(=O)N2CC(B3OC(C)(C)C(C)(C)O3)=CCC2(C)C)c1Br 2369509618 ZMFGSBVPKRAMLD-UHFFFAOYSA-N 440.212 5.001 30 10 IKEE Cc1cccc(CSCc2ccc(B3OC(C)(C)C(C)(C)O3)c(Br)c2)c1 2377294901 PAFDYQPKYACTST-UHFFFAOYSA-N 433.220 5.490 30 10 IKEE CC(C)C[C@@H](CS)COc1c(Br)cc([N+](=O)[O-])cc1Br 2382177995 DDLMHFPORWFYIX-SECBINFHSA-N 427.158 5.091 30 10 IKEE CCOC(=O)c1sc(NC(=O)CCCOc2ccc(C(C)C)c(C)c2)c(C#N)c1C 2609643 YGEHBVLNNZFQSL-UHFFFAOYSA-N 428.554 5.334 30 10 IKEE CCOc1ccc(-n2c(SCCCC#N)nc3sc4c(c3c2=O)CCCC4)cc1 21128105 IMFRGXYVRPJLOA-UHFFFAOYSA-N 425.579 5.121 30 10 IKEE Cc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(C(C)(C)C)cc2)C3)cc1[N+](=O)[O-] 21224365 UPKUYQUBHRDZDM-ICSRJNTNSA-N 432.520 5.205 30 10 IKEE CC(C)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1 21255101 QXPILELFXABMFP-RBTNQOKQSA-N 442.990 7.443 30 10 IKEE O=C(Oc1ccc(Cl)cc1C(=O)/C=C\c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 33441981 GAOLPZLKIQWAIE-JYOAFUTRSA-N 425.799 5.503 30 10 IKEE COC(=O)c1ccc(COc2ccc3c(c2)O/C(=C/C=C/c2ccccc2OC)C3=O)cc1 33749855 CMKMKZRPKTWFRS-KKNCXOEZSA-N 442.467 5.233 30 10 IKEE Cc1oc(-c2cc(Cl)cc(Cl)c2)cc1C(=O)Nc1sc2c(c1C#N)CCCC2 39794300 HUGOYYHOOFNYLU-UHFFFAOYSA-N 431.344 6.626 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(cc3c(c2C)OCN(Cc2ccc4c(c2)OCO4)C3)C1=O 41588791 PGJTZNDFWZIWSG-NKVSQWTQSA-N 447.512 5.062 30 10 IKEE C=CCn1c(SCCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1cccc(Cl)c1 59794857 XSIILHNTEPSQQI-UHFFFAOYSA-N 426.973 5.522 30 10 IKEE Cc1cccc(NC(=O)c2cnn3c2NC2=C(C(=O)CCC2)[C@@H]3c2ccccc2Cl)c1 64874106 VZUMHIHYNAEIOQ-QFIPXVFZSA-N 432.911 5.119 30 10 IKEE CCCCCCCCN(CCC#N)SN(C)C(=O)Oc1cccc2c1OC(C)(C)C2 95828357 UREKGTUQRWYBDB-UHFFFAOYSA-N 433.618 5.970 30 10 IKEE CCN1C(=O)C[C@H](C(=O)Nc2cccc(C)c2)S/C1=N\c1ccc(Cl)c(Cl)c1 100194569 PAMXLKVQPYBZCR-BJUXRVGASA-N 436.364 5.282 30 10 IKEE CCCCCCCCCCCCn1c(CN(C)C(=O)c2ccncc2)nc2ccccc21 102108993 RUKLPJNTWSIKQB-UHFFFAOYSA-N 434.628 6.624 30 10 IKEE CCCCCCCCOc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1 103717407 WJQDTAAXXWEWHT-PTGBLXJZSA-N 434.536 5.088 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2cccs2)c(C)c1 169982828 BXPFAHITDJJSTP-HSZRJFAPSA-N 447.556 5.971 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@@H]2c2ccccc2)cc1 170049246 DKWNIFKRCNTSMJ-RUZDIDTESA-N 439.555 6.329 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@H]1c1ccccc1 170052106 WSHQQHPPPCTQSC-XMMPIXPASA-N 431.919 5.750 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccccc1F)c1cccc(Cl)c1 170072416 ALCGIGCYEYHKME-NRFANRHFSA-N 439.845 5.397 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(O)cc2)cc1C 170135715 NNJWPJISMYPPEX-HSZRJFAPSA-N 435.520 5.010 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccc(C)c2)cc1Cl 170142048 GWDDGOGMLVFBCP-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 170150036 NCDXYWMFHNXDAC-DEOSSOPVSA-N 449.591 6.007 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1ccc(C(C)(C)C)cc1 170150254 UFPAWCKWHYLGTO-XMMPIXPASA-N 449.591 6.068 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccs2)cc1Cl 170156544 SRCHOEUOLNFPAY-HXUWFJFHSA-N 439.920 5.501 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccn2)c1 170179201 JKPMSWZJVLXVSP-NRFANRHFSA-N 440.927 5.045 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@H]2c2cccnc2)cc1 170189382 GSPFLCFHUREWAM-XMMPIXPASA-N 442.515 5.269 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccccc2)c1 170223847 HPPGGXXSFPPQTD-AREMUKBSSA-N 433.507 6.240 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccc2)cc1C 170224128 PXSSYMDQOQSYBQ-DEOSSOPVSA-N 427.500 5.485 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2O)[C@H]1c1ccccc1 170227708 DQSGMJYPHQCVGN-QHCPKHFHSA-N 443.499 5.109 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccco2)ccc1OCC(C)C 170281764 DQJSLHCEUCQDKI-HSZRJFAPSA-N 449.478 5.545 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccco2)c1 170282883 PXGPJJMWULWGTC-OAQYLSRUSA-N 437.879 5.423 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccco1 170287989 WFBPCLNLUHSJIM-HSZRJFAPSA-N 447.487 5.106 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccco2)c1 170296416 NPHLKTRDIOFAMJ-DEOSSOPVSA-N 439.467 5.220 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccc(C)o2)c1 170301936 UEWJTTMTVKRYOM-QHCPKHFHSA-N 426.472 5.469 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2cc(F)ccc2F)o1 170306263 MKYNVPXXRWRHJK-HSZRJFAPSA-N 445.421 5.802 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C)o2)cc1C(C)C 170307007 DSTNLXUKKIGRFG-JOCHJYFZSA-N 435.476 5.092 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1c1ccccc1 170314816 VJTZZPVBAOWNHC-NRFANRHFSA-N 433.529 5.627 30 10 IKEE CC(C)(CSc1c(F)c(F)cc(F)c1F)C(=O)NCc1ccc(C(F)(F)F)cc1 248158149 JRJYBNVJDZDLOM-UHFFFAOYSA-N 439.396 5.697 30 10 IKEE Cc1cccc(C)c1N=C1S/C(=C\c2ccccc2[N+](=O)[O-])C(=O)N1c1ccccc1 254511043 RXBCIGASJUHXSO-AQAUNXFGSA-N 429.501 6.020 30 10 IKEE N#CCC[C@@H](O)c1cc(Br)c(OCc2ccccc2)c(Br)c1 309663065 ZBCBFRHKHIDPNI-MRXNPFEDSA-N 425.120 5.128 30 10 IKEE N#Cc1ccc(Br)cc1NCc1cc(Cl)ccc1I 405285178 DNMFEFPHRIVVHB-UHFFFAOYSA-N 447.501 5.191 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2cccc(Cl)c2Cl)cc1 526487923 BHCDAWOPVKOXKB-LJQANCHMSA-N 427.312 5.984 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(OC)cc2)cc1 526515404 JYVYXQOCHNXLCG-VWLOTQADSA-N 440.499 5.413 30 10 IKEE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccccc2C#N)[C@@H]1c1cccc(C)c1 526609273 OCZKHCRNRIZTOU-XMMPIXPASA-N 440.499 5.331 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)c1 526745148 ZFULCFNHZKSQFG-QHCPKHFHSA-N 447.918 5.912 30 10 IKEE CCOc1cc(/C=N\n2c(C)nnc2SCc2ccc(Cl)cc2)cc(Cl)c1O 526806839 XBJLMPFBYNLCBS-YVNNLAQVSA-N 437.352 5.172 30 10 IKEE Cc1cc(C)cc(CSc2nnc(C)n2/N=C\c2cc(Cl)c(O)c(Cl)c2O)c1 526810118 XXKAGMAHDJHEOF-UYOCIXKTSA-N 437.352 5.096 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccc(OCC(C)C)cc1 526811122 BRINUHCUMJQCAL-QFEZKATASA-N 443.016 6.093 30 10 IKEE Cc1ccccc1/C=N\n1c(Cc2ccccc2)nnc1SCc1ccc([N+](=O)[O-])cc1 526829701 WFFPKZVECMSBOG-XYGWBWBKSA-N 443.532 5.260 30 10 IKEE CCCCCCCCC[C@H](O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 695817654 PLSKZAGVGCCXSQ-DEOSSOPVSA-N 446.676 6.048 30 10 IKEE COc1ccccc1CNN=Cc1cc(C)n(-c2ccc(C)c(Br)c2)c1C 1084067035 NHRYZEUXTRGSTL-UHFFFAOYSA-N 426.358 5.297 30 10 IKEE CC(=O)c1ccc(N=Cc2cccc(OC(=O)c3sc4ccccc4c3Cl)c2)cc1 1084263212 RMWLTBDDJIPHQC-UHFFFAOYSA-N 433.916 6.727 30 10 IKEE CC(C)[C@H]1CC[C@@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]34C)[C@@H]12 1307332480 FULWGFMPSBYUOW-NUXRBXOHSA-N 442.728 7.284 30 10 IKEE O=C1NC(=NN=Cc2cccc3ccccc23)S[C@@H]1Cc1cc(Cl)ccc1Cl 1772724817 WWJCCNNKCODUNG-LJQANCHMSA-N 428.344 5.311 30 10 IKEE O=C1/C(=C/C=C\c2ccccc2)SC(=NN=Cc2ccc(Cl)cc2)N1Cc1ccco1 1772758357 SOJHFCZKWQZDRS-SCVYRXLPSA-N 447.947 5.996 30 10 IKEE CCN1C(=O)Cc2cc(C(=O)Nc3oc(-c4ccccc4)c(-c4ccccc4)c3C#N)ccc21 1859743747 GWFLZCRTHGEFML-UHFFFAOYSA-N 447.494 5.647 30 10 IKEE CC(C)c1ccc(/C=C/C(=O)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1 1860723019 XYLXHHPRDKULOK-FRKPEAEDSA-N 433.935 6.263 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)[C@@H](C)Oc1ccccc1C(C)C 1861659723 UCWUOVCUWVBPLI-ISKFKSNPSA-N 444.660 5.825 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)CCCOc1ccc(OC)cc1 1861720349 IRTOHWVXTXYYSA-HSZRJFAPSA-N 434.621 5.006 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1cccc(OC)c1 1862384882 CHPNOIWHQDVNFH-IBGZPJMESA-N 434.319 5.380 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(OC)c(O)c2)cc1 1862398721 ZNUWZJCINRDDEV-XMMPIXPASA-N 449.547 5.264 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(Cl)c2)cc1C 1862402916 KOHQULHMWLSCRQ-NRFANRHFSA-N 425.912 5.178 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(N(CC)CC)cc1 1862440140 SRIHAOBTADIOLJ-OPAMFIHVSA-N 440.971 5.563 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(F)cc1F 1862476969 GYVABBGHDPHUNP-XXBNENTESA-N 441.518 6.210 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 1862477652 ZLPYTCFWSAVFJO-QPPBQGQZSA-N 435.564 5.941 30 10 IKEE COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC(C)C)ccc1OC(C)C 1862484253 KQBVUCHLNKBQNI-QHCPKHFHSA-N 437.536 5.025 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1cccc(C)c1 1862533008 JJYIAFGMBSHHEQ-RUZDIDTESA-N 433.592 6.496 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2[C@H](C)CC)cc1 1862547260 QKYSLSIYYRFOJY-OSPHWJPCSA-N 433.548 5.341 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(OCCC)cc1 1862586139 MULFRYKAAVLVOP-HXUWFJFHSA-N 446.330 5.547 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1cccc(F)c1)c1cccc2ccccc12 1862649612 CEAFZFKBDKXMHS-DEOSSOPVSA-N 438.458 5.152 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(C(F)(F)F)cc1 1862655546 KTNYLTBTPIEGLO-NRFANRHFSA-N 439.433 5.847 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(F)c(C)c3)C2=O)c(C)c1 1863092193 AUXHDYZTLYXFFR-UHFFFAOYSA-N 425.463 5.019 30 10 IKEE N#Cc1ccc(CSc2nc(O)c3c(-c4ccc5c(c4)CCCC5)csc3n2)cc1 1865751687 AQPVCVKVMGULCX-UHFFFAOYSA-N 429.570 6.107 30 10 IKEE CN1CCN(c2cc(Nc3ccccc3C#N)nc(-c3ccccc3)n2)C[C@@H]1c1ccccc1 1868373330 SZFSFROLHBQVMM-RUZDIDTESA-N 446.558 5.252 30 10 IKEE CCCN(CCCN(C)C)c1cc(Nc2cccc(C#N)c2)nc(-c2ccc(Cl)cc2)n1 1868423625 HIACQEFFMQUJBQ-UHFFFAOYSA-N 449.002 5.580 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](CCCC)NC(=O)C[C@H](c1ccc(OC)c(C)c1)C(C)C 1868718108 ANAJLSVROANMIX-GOTSBHOMSA-N 428.617 5.009 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3nc[nH]c3[C@@H]2C(C)C)nc(-c2ccc(C)cc2)n1 1869177278 IEODTSDIDVFOBW-VWLOTQADSA-N 428.584 5.113 30 10 IKEE CCCCCCCCCCn1cc(OCc2ccccc2)c(=O)cc1CSC(C)(C)C 1870271777 ZCIJUKZEOZQUPD-UHFFFAOYSA-N 443.697 7.600 30 10 IKEE CCCCN(CC)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1Cc1ccc(C)cc1 1870350377 CVCFDJWHQYRMQR-UHFFFAOYSA-N 443.591 5.278 30 10 IKEE C#CCOc1cn(CCCCCCCC)c(CN2CCC(Cc3ccccc3)CC2)cc1=O 1870560242 NKNQNKLCZIMCKR-UHFFFAOYSA-N 448.651 5.676 30 10 IKEE C#CCOc1cn(CCc2ccccc2)c(CNc2ccc(Cc3ccccc3)cc2)cc1=O 1871005452 GVKIPCYEFYSIAC-UHFFFAOYSA-N 448.566 5.306 30 10 IKEE C=CCn1cc(OCc2ccccc2F)c(=O)cc1CNc1ccc(N(CC)CC)cc1 1871243849 AXRFCZVXVYEOPG-UHFFFAOYSA-N 435.543 5.211 30 10 IKEE COc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(C2CCCCCC2)C4)cc1OC 1871347753 UCBFKETXVVNQOJ-OYKKKHCWSA-N 449.547 5.503 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O3)CN([C@H]1CCCC[C@H]1C)CO2 1871350962 CQWFIEPKGYXDES-CFJWEWOWSA-N 445.603 6.639 30 10 IKEE CC[C@H](C)N1COc2cc(C)c3c(c2C1)O/C(=C\c1cn(C)c2ccc(OC)cc12)C3=O 1871352028 MARDRUNRSKOFFP-CUOULEQJSA-N 432.520 5.062 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OC(=O)c3ccc(Cl)c(Cl)c3)c2C)C1=O 1871372529 WWLXZAFXHXYEBD-MTJSOVHGSA-N 439.294 6.446 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OC(=O)c4ccc(/C=C/C(=O)O)cc4)cc(C)c3C2=O)c1 1871382324 UIUFCXMIJIUGMT-LABNAMAPSA-N 440.451 5.237 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cn(C)c4ccccc24)C3=O)c1 1871387226 KSNHWWZRDTUBBP-QFEZKATASA-N 439.467 5.412 30 10 IKEE O=C1/C(=C/c2ccc(Cl)c(Cl)c2)Oc2cc(OCCCc3ccccc3)ccc21 1871399293 IQRCSWJGEZLFLU-UCQKPKSFSA-N 425.311 6.621 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3cc(OCC(=O)N[C@H](C)c4ccccc4)ccc3C2=O)cc1 1871424619 PNKASDSLBVVDEP-APQFFPOMSA-N 441.527 5.682 30 10 IKEE Cc1cc(OCC(=O)OCC(C)C)cc2c1C(=O)/C(=C/c1c(Cl)cccc1Cl)O2 1871427803 UKIUXHFJTINVLF-OCKHKDLRSA-N 435.303 5.496 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1)S(=O)(=O)c1cccs1 1871764114 HDPOITUJAJEQAZ-JOCHJYFZSA-N 440.590 5.003 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cc(C)cc(C)c1)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1871982702 KGMYQNDLRSSMNV-DEOSSOPVSA-N 442.625 5.150 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cccc(F)c1)[C@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1871987690 JLOFHZZQTHWJEE-UZUQRXQVSA-N 446.588 5.063 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(-c2ccccc2C)cc1)[C@H](C)CC)S(=O)(=O)CC 1872216371 VRWHPNLHNZOBQN-NTKDMRAZSA-N 442.625 5.243 30 10 IKEE N#C[C@@H](C(=O)Cc1ccc(F)cc1F)c1nc(-c2cccc(Br)c2)cs1 1872764156 FBVOETJULWQAOM-HNNXBMFYSA-N 433.277 5.270 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccccc3C(C)C)n2)cc1 1872768701 ZYOZHGKBYMIXIZ-LAUBAEHRSA-N 434.561 5.976 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)c(C)c1 1872769661 XNYQHBIGPQRZAW-SYYKKAFVSA-N 443.572 5.213 30 10 IKEE N#C[C@@H](C(=O)COc1ccc(Cl)cc1Cl)c1nc(-c2ccc(F)c(F)c2)cs1 1872779726 PRUJWMNYOYQOAV-LBPRGKRZSA-N 439.270 5.650 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)CCc2ccc(Cl)cc2)n1 1872785350 LCAJFTCJFSGVDL-NRFANRHFSA-N 437.008 6.879 30 10 IKEE C=CCN1C(=O)C(Nc2cc(C)ccc2OCC(C)C)=C(c2ccc(OCCC)cc2)C1=O 1873375329 XDSKTPIUKPOQRH-UHFFFAOYSA-N 448.563 5.197 30 10 IKEE CCCCCOc1ccccc1/C=N/Nc1oc(-c2ccc(Br)o2)nc1C#N 1873462271 WRABMLGGMAJXNG-YDZHTSKRSA-N 443.301 5.584 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(Cl)cc1)n2C 1873629326 WKQVBJLXRCXQRG-UHFFFAOYSA-N 442.007 6.427 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(OC)c2)cc2c(N(CCCC)CCCC)ncnc21 1873662005 AFNIWEAOSIEUTF-UHFFFAOYSA-N 435.572 5.285 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)N[C@H](C)c3ccc(CC)cc3)c(=O)oc2c1C 1873922696 HZPFTHZPXGAJKU-LJQANCHMSA-N 433.548 5.347 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1ccc(C)cc1 1874202526 HJBRESDVXWIXEJ-JFLMPSFJSA-N 448.636 6.322 30 10 IKEE CCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1c[nH]c2ccccc12 1874216166 MUSLFCWBFSTIFB-MFKUBSTISA-N 439.972 5.419 30 10 IKEE CCCOc1cccc(/C=N/n2c(CC34CC5CC(CC(C5)C3)C4)nnc2SCC)c1 1874244124 PANWLDQRXFRUPL-YZSQISJMSA-N 438.641 5.820 30 10 IKEE Cc1ccc(C)c(OCc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccc[nH]2)c1C 1874254613 KWPFFKXXGBZXSM-UVHMKAGCSA-N 449.555 5.424 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2cccc(F)c2)n1/N=C/c1cccnc1 1874299427 ZPBQGDZRRXCUBN-MZJWZYIUSA-N 447.539 5.183 30 10 IKEE CCSc1nnc(CCc2ccc(OC)cc2)n1/N=C/c1ccc(Cl)cc1Cl 1874306852 SIAUHIBXGKYFST-YDZHTSKRSA-N 435.380 5.373 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc(OC)c2)n1/N=C/c1ccc(Cl)cc1 1874310307 PAMCOLLWYFFSAX-ZVHZXABRSA-N 426.973 5.276 30 10 IKEE Cc1ccsc1/C=N/n1c(SCc2ccccc2F)nnc1[C@@H](C)c1ccccc1 1874395039 BSTCCZYGXOZSAK-YSGZUTGPSA-N 436.581 6.113 30 10 IKEE CCCOC(=O)CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1cccc(Cl)c1 1874397793 KIZPLZLXIPJDSB-HUSFYUSLSA-N 442.972 5.011 30 10 IKEE CCc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccc(Cl)cc2)cc1 1874418896 NQTTUXCNEOYOIL-WPWMEQJKSA-N 447.007 6.259 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SC)nnc2-c2cccs2)cc1OCC 1874419724 BBLWROFPPHZYBA-PXLXIMEGSA-N 430.599 5.578 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(-c3cccs3)n2/N=C/c2ccccc2)c1 1874420660 XHOJHEBFXSVSKH-ZVHZXABRSA-N 447.589 5.236 30 10 IKEE Oc1ccc(Cl)cc1/C=N/n1c(SCc2cccc(F)c2)nnc1-c1ccccc1 1874426916 HTLOHZCILNFPMZ-DHRITJCHSA-N 438.915 5.618 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CC(C)(C)C)nnc1SCc1cccc(F)c1 1874437659 MTEPUDPODGMTKN-WGOQTCKBSA-N 438.572 5.745 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2[C@H]2CCCO2)cc1 1874451571 FQYBLWPTGGKDQF-SFQCIDFKSA-N 434.899 5.236 30 10 IKEE COc1ccc(OC)c(/C=N/n2c(SCc3ccc(F)cc3)nnc2C2CCCC2)c1 1874452886 SLTGBXBOCOKJJX-AFUMVMLFSA-N 440.544 5.267 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1/N=C/c1cccc(Br)c1 1874477920 KRCASSSFUYXSBX-OEAKJJBVSA-N 443.414 5.866 30 10 IKEE O=C(O)c1ccccc1/C=N/n1c(SCc2c(Cl)cccc2Cl)nnc1C1CC1 1874521402 QSELJUVASYMXLD-AUEPDCJTSA-N 447.347 5.335 30 10 IKEE Cc1ccccc1COc1ccc(/C=N/n2c(C)nnc2SCc2ccc(F)cc2)cc1 1874530211 WZLKJVAKAOQLSO-JFLMPSFJSA-N 446.551 5.788 30 10 IKEE CC(C)Cc1nnc(S)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 1874559260 HBLDOQVVGDPOLL-FOKLQQMPSA-N 435.380 5.533 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(CC)cc1 1874572959 NTEKWZCIBHJPNA-ACCUITESSA-N 427.972 5.826 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccccc1OCC(=O)Nc1c(C)cccc1C 1874581511 RBJAKSBGXZMZQS-BUHFOSPRSA-N 429.516 5.534 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc3c(c2)OCO3)c1OCc1c(F)cccc1Cl 1874582616 XGJAKZQZXAATCP-CSKARUKUSA-N 440.854 5.692 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)OC)cc1 1874584443 OFJPLKXKJJIWKX-SAPNQHFASA-N 440.536 5.492 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCc3c(Cl)cccc3Cl)c2)cc1C 1874593413 IYOOVEYUEWECRL-PKNBQFBNSA-N 427.327 6.786 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1cccc(OCCc2ccccc2)c1 1874599206 ABIGQCCHDZRJAW-ZHACJKMWSA-N 427.327 6.520 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OCCc1ccccc1 1874601954 LTKDCVLCDKTMQL-LDADJPATSA-N 434.535 6.880 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)NC3CCCCC3)c(OC)c2)cc1 1874607511 RKSQWLUAZKIIDF-GHRIWEEISA-N 449.591 5.762 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1F 1874614369 NLADWXJNMCCMHB-KPKJPENVSA-N 445.317 7.006 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2OC)cc1 1874617590 JPSOVEGWYPGHFP-NTEUORMPSA-N 443.543 5.788 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OCc1ccc(Cl)cc1 1874624100 MCCAQJUEIBZYGU-VIZOYTHASA-N 434.963 7.337 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccc(C)c(C)c3)c2)c1 1874694553 JHOXKSWQCUBIIG-ZRDIBKRKSA-N 430.500 5.365 30 10 IKEE COc1cccc(C(=O)/C=C/c2cccc(OC(=O)CCCOc3cccc(C)c3)c2)c1 1874695175 NUPVYDAOWRIASX-CCEZHUSRSA-N 430.500 5.664 30 10 IKEE CCCCC1CCC(C(=O)Oc2cccc(/C=C/C(=O)c3cc(C)ccc3OC)c2)CC1 1874704210 CBUQZBXKIFQHHW-DTQAZKPQSA-N 434.576 6.802 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)cc(Br)c1O 1874719606 QZEDHGGZGUDHLH-SNAWJCMRSA-N 446.124 5.765 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(C(C)C)cc2)CSc2nnc(CCC)n21 1874867215 ZNVXKFJXKBXDTP-JOCHJYFZSA-N 442.673 6.416 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(Cl)c1OC(=O)C1CCCC1 1875095102 YREPFOZFTNXSNK-JLHYYAGUSA-N 434.919 6.494 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)ccc1OC(=O)Cc1ccccc1Cl 1875103262 QFOXLQYPPDSONR-RVDMUPIBSA-N 448.946 6.345 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)c3ccccc3)c(OC)c2)cc1OC 1875103739 NIFUUSXKUGREMU-LVMGUKCRSA-N 446.499 5.318 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OC(=O)C(F)(F)F 1875104918 VALPRRYIHYGBFI-ZZXKWVIFSA-N 449.208 5.374 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc(Cl)ccc3Cl)cc2)cc1C 1875107137 BTMPZDDYKHKQAG-VZUCSPMQSA-N 441.310 6.426 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)C(F)(F)F)cc2)cc1OCCC 1875124210 UOGRYJNDESMOAX-YRNVUSSQSA-N 436.426 5.628 30 10 IKEE Cc1cc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)c(Cl)c3)cc2)ccc1F 1875133802 CPQNASARGJNBQG-VZUCSPMQSA-N 443.301 6.485 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 1875133814 DAFLBGRQYLBZAD-IZZDOVSWSA-N 445.471 5.644 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Br)c1OC(=O)C1CC1 1875140488 JDWNYKZXWDLVGE-RMKNXTFCSA-N 429.310 5.286 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(C)c(C)c3)cc2)cc1F 1875152521 OMXYYDRGGSDVIN-KPKJPENVSA-N 434.463 5.332 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H]3CCCO3)c(Br)c2)cc1C 1875175501 SHNKYNIGUCRAAE-VHTFYLNKSA-N 429.310 5.046 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1C 1875175777 GHZLKJJLUUTFNN-WUXMJOGZSA-N 425.311 6.726 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)CC2CCCCC2)cc1 1875182056 KQPIRRZWWBIAKM-JLHYYAGUSA-N 426.940 6.429 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)cc2)c(C)c1 1875182869 YYUOYYWNOVNTEQ-IZZDOVSWSA-N 439.338 7.034 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C)c(OC)cc3C)cc2OC)c1 1875189658 ASZSQMNGZAXQHZ-PKNBQFBNSA-N 446.499 5.445 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc(OC)c1OC(=O)CC(C)C 1875191567 SNFMRHQBHDSHGJ-VMPITWQZSA-N 437.319 5.858 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N1CCC[C@H](C)C1)n2CCCC 1875213198 WJTRVPIJDZVGCL-FQEVSTJZSA-N 427.637 5.876 30 10 IKEE C=CCN(CC=C)C(=O)c1cc2c(NCCC3=CCCCC3)ncnc2n1Cc1ccco1 1875235475 OKFLUCUDZLPBJD-UHFFFAOYSA-N 445.567 5.189 30 10 IKEE CCCC[Sn](CCCC)(CCCC)c1ccc(Cl)c(C#N)c1 1880854076 SHAMDIHVBXUFHU-UHFFFAOYSA-N 426.620 6.268 30 10 IKEE Cc1c(CC(=O)O)cc(N(C)C(=O)OCC2c3ccccc3-c3ccccc32)cc1N=[N+]=[N-] 1887521366 GGWXBHRTICZVDM-UHFFFAOYSA-N 442.475 5.949 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)Nc3cccc(Br)c3)cc21 1891126659 AFOMMMROEUSCHV-UHFFFAOYSA-N 444.329 5.031 30 10 IKEE O=C(Cc1cc(F)ccc1C(F)(F)F)N1CC[C@@H](Cc2ccc(C(F)(F)F)cc2)C1 1891247609 WTUJLWRQFIANCD-AWEZNQCLSA-N 433.367 5.497 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)ccc21 1891274603 LBCXQKKRICJDIT-UHFFFAOYSA-N 449.429 5.167 30 10 IKEE Cc1cccc(Oc2ccc(S(=O)(=O)N3CCC(C#N)(c4ccccc4)CC3)cc2)c1 1891743601 DBZTXDPNXLBYPV-UHFFFAOYSA-N 432.545 5.033 30 10 IKEE C[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)CN1C(=O)OC(C)(C)C 1900286753 JYDHRCPVWKTHQY-NYHFZMIOSA-N 435.952 5.373 30 10 IKEE C=CCC(C)(C)[C@H](N)c1sc(Br)c(Br)c1Br 1903143366 IPQUENJJXOTPKM-SECBINFHSA-N 432.019 5.638 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C12CC2 1925723779 ZMEOUQFVZFRICG-DEOSSOPVSA-N 433.593 5.382 30 10 IKEE C=CC[C@@H](C)Nc1cc(Br)c(I)c(Br)c1 1931650938 VDPXGHALUBETTG-SSDOTTSWSA-N 444.936 5.193 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)C[C@@H]1CC(C)C 1944819606 JNGVYIFADIGLED-AXHZCLLHSA-N 437.625 5.587 30 10 IKEE N#Cc1ccc([C@H](CCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 1951611970 XYXMNSPMHLLWIF-DEOSSOPVSA-N 426.472 5.003 30 10 IKEE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccc(C#N)c1 1984696421 WZWWCGQYMZFBEA-RUZDIDTESA-N 439.515 5.060 30 10 IKEE CC(C)(C)OC(=O)N1CC(C)(C)[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 1996501983 AOZKJGCAMLOKEH-XMMPIXPASA-N 435.609 5.486 30 10 IKEE C=C1C[C@@H]1C[C@@H](NCCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997454490 DLPXKPOSLCYYKB-PLXFJCCSSA-N 428.617 5.165 30 10 IKEE CC1(C)OB(c2cc(Cl)cnc2N(Cc2ccccc2)Cc2cccs2)OC1(C)C 2004974938 RHUJMTVHGBLWAX-UHFFFAOYSA-N 440.805 5.303 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCCC[C@@H]2NC(=O)OC(C)(C)C)c1 2031497204 KNHVRMNQTYYNOH-NBGIEHNGSA-N 443.588 5.856 30 10 IKEE CC(=O)N(c1nc(C=C2CCOc3ccc(F)cc3C2=O)cs1)c1ccc(F)cc1F 2042450533 AMTZHCDQPTVLJV-UHFFFAOYSA-N 444.434 5.294 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@](C#N)(N(C(=O)OC(C)(C)C)C3CCCCC3)C[C@]2(C)C1 2052771890 UDFVEWXHXRVOJM-PISWEHOVSA-N 447.620 5.486 30 10 IKEE CC#CCCCC(=O)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2073679614 QGUKHDFMTXCCMD-NDEPHWFRSA-N 428.528 5.641 30 10 IKEE Cc1nn([C@H](c2ccc(C3CCC3)cc2)C(C)C)c(I)c1C=NO 2079903408 MGSXTDLBKDOQTO-SFHVURJKSA-N 437.325 5.117 30 10 IKEE CCOc1ccc(C(F)(F)F)cc1-c1c(C(F)(F)F)nn2c(Cl)c(C#N)cnc12 2081472162 LOTODPAALBOOAW-UHFFFAOYSA-N 434.727 5.358 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(Br)ccc(Cl)c1F 2098966239 PZHHHMWJCRAHIL-YOEHRIQHSA-N 447.776 5.199 30 10 IKEE Cc1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)ccc1Cl 2107706437 VJTBSZQUUXSXNO-GOSISDBHSA-N 435.749 6.417 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)Nc2cc(Cl)c(C)cc2Br)C1 2126626929 DHNKWITUDPCTHX-UHFFFAOYSA-N 443.769 5.211 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](CNc2ccc(C#N)cc2Br)C(F)(F)CC1 2162283731 FGSIZCNXJCPKPN-CQSZACIVSA-N 444.320 5.015 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(Nc3ccc(C#N)cc3Br)CCCCC[C@H]12 2162340938 CVZMZWVKJXIKGY-RXVVDRJESA-N 434.378 5.445 30 10 IKEE CC(C)(C)OC(=O)N1CCN(c2cc(Br)c(C#N)cc2F)c2ccccc21 2174768488 DBHWEKHGPFMJDN-UHFFFAOYSA-N 432.293 5.353 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCC)c2cc(C)cc(Br)c2F)C1 2183005997 FNTHVVLRNCDVMU-SFHVURJKSA-N 441.385 5.408 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CC[C@@]2(CCCOC2)C1 2185131948 FBBTUFAROAVMIB-LEWJYISDSA-N 435.362 5.434 30 10 IKEE C[C@@H]1Cc2ccccc2[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2185486212 OUFIGEBYHASXIZ-QRQCRPRQSA-N 427.342 5.802 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(Nc2ccc(Br)cc2)C[C@H]1C1CCC1 2194185133 DHWFVZKWUHTAJD-RXVVDRJESA-N 434.378 5.323 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)c1sc(Br)c(C)c1C 2275132321 VTUIEKXBWXXODO-SFHVURJKSA-N 439.371 5.433 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H](CCC(C)C)NC(=O)OC(C)(C)C 2296219214 LZNHGCBFRAGYPJ-UXHICEINSA-N 437.422 5.108 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)CC[C@@H](C)CCNC(=O)OC(C)(C)C 2296277586 UMOUWKWGUQAUDU-XLIONFOSSA-N 437.422 5.110 30 10 IKEE O=C(C(=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)C(F)(F)F)c1ccccc1 2296727584 PPDRQVRXHGAUNP-UHFFFAOYSA-N 439.216 6.651 30 10 IKEE COc1cc(C=C2SC(=Nc3ccc(C)cc3)NC2=O)ccc1OCc1cccc(C)c1 2296738395 PVVHWUQRMFXSOI-UHFFFAOYSA-N 444.556 5.783 30 10 IKEE Cc1ccc(N=C2NC(=O)C(=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)cc1Cl 2297366837 MYYLKXGYMBOLAX-UHFFFAOYSA-N 439.880 5.708 30 10 IKEE CCCCCCCCC=CCCCCCCCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 2297748800 XIPFMGYXSZQUGV-HSZRJFAPSA-N 431.661 7.183 30 10 IKEE CC(C)(C)OC(=O)NC1([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)CCCC1 2302429762 YNXHKABSGDUNJW-GOSISDBHSA-N 449.979 5.811 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCc4ccc(C(=O)OC)cc4)cc(C)c3C2=O)cc1 2321856578 ADXCXMJWBFPDKS-UHFFFAOYSA-N 444.483 5.376 30 10 IKEE Cc1ccc(CN2COc3cc(C)c4c(c3C2)OC(=Cc2c(F)cccc2Cl)C4=O)cc1 2321958740 XTQUIIXXDLOPCA-UHFFFAOYSA-N 449.909 6.064 30 10 IKEE Cc1cccc(OCc2nnc(S)n2N=Cc2ccc(OCc3ccccc3)cc2)c1C 2322052284 MNBYVLLNXONCJL-UHFFFAOYSA-N 444.560 5.224 30 10 IKEE CCOc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCC2=CCCCC2)C4)cc1 2322107621 FHOIOGCKORXTSA-UHFFFAOYSA-N 445.559 6.052 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccccc1C=CC(=O)c1ccc2c(c1)CCCC2 2322328653 WMLHIDYGAWZJNP-UHFFFAOYSA-N 439.555 6.096 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)c1OCc1ccccc1C 2322687380 IHXZBWGUNYWMBQ-UHFFFAOYSA-N 448.990 7.430 30 10 IKEE O=C(C=Cc1ccccc1OCc1c(Cl)cccc1Cl)c1cccc2ccccc12 2322712030 ZRBPFBLDLJLDQN-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE COc1cccc(C=CC(=O)c2cccc3ccccc23)c1OCC(=O)NC1CCCCC1 2322724713 HGSGCYHEAJSYCE-UHFFFAOYSA-N 443.543 5.572 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cccc(OCC(=O)Nc2cccc(C)c2)c1 2323290892 NXNQHJGLZATEEV-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCCOc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2cccnc2)C3=O)cc1 2323459042 RSQCMWRHZBQEAR-UHFFFAOYSA-N 427.456 5.105 30 10 IKEE CCCOc1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccco2)C3=O)cc1 2323460478 OTKZNEKLBRYZOG-UHFFFAOYSA-N 430.456 5.612 30 10 IKEE Cc1cc(OC(=O)c2cc(Cl)ccc2Cl)cc2c1C(=O)C(=Cc1ccccn1)O2 2323583866 XXROZXKYNQNCRQ-UHFFFAOYSA-N 426.255 5.532 30 10 IKEE CC(C)=CC(=O)Oc1ccc2c(c1C)OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O 2323719961 WCBKMODIZMMKJR-UHFFFAOYSA-N 426.852 5.003 30 10 IKEE COC(=O)COc1c(Cl)cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1OC 2323870700 QVABFYCOPMBZNZ-UHFFFAOYSA-N 429.683 5.103 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(F)cc1 2323895991 YHBNCQVIPDIIPS-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE Cc1cc(O)c(CN2C[C@H](C)O[C@H](C)C2)c2c1C(=O)C(=Cc1c(Cl)cccc1Cl)O2 2324017926 NBFQKWBWTISMIZ-OKILXGFUSA-N 448.346 5.233 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1ccc(C)cc1)C2=O 2324335584 NADIZSKJTQCWIT-IBGZPJMESA-N 441.527 5.888 30 10 IKEE COc1ccccc1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccc(F)cc1)C2=O 2324473641 HNCIUMOYBGYHFA-INIZCTEOSA-N 447.462 5.165 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCCc3ccccc3)c(Cl)c2)c2ccccc12 2324677061 JJPIRLSGRINOSZ-UHFFFAOYSA-N 442.942 7.019 30 10 IKEE CCCCCCOC(=O)COc1ccc2c(c1)OC(=Cc1c(Cl)cccc1Cl)C2=O 2325027735 LLZAYRTZVZVHTQ-UHFFFAOYSA-N 449.330 6.112 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3c(OC)cccc3OC)c2)cc1 2325704306 MPAVDRBUEFDVRW-UHFFFAOYSA-N 446.499 5.390 30 10 IKEE CCc1ccccc1OCC(=O)Oc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC 2325737734 FJNZWMOMZKOQTG-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cccc(OC(=O)COc2cccc(C)c2C)c1 2325757567 SDUWDSSNQSPJFV-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OC(=O)c1ccc2c(c1)OCO2 2325759966 DFJFLBQUYNTFEL-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE C=CCSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1sccc1C 2325883910 SEDQORMXWUTABN-UHFFFAOYSA-N 448.617 5.973 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1ccc(Cl)cc1 2327186940 DZRZJVSDPMRQNP-UHFFFAOYSA-N 441.000 5.802 30 10 IKEE CCCCCOc1ccc(C=Nn2c(COc3c(C)cccc3C)nnc2SC)cc1 2328533836 GQPZXWINFDRLAK-UHFFFAOYSA-N 438.597 5.647 30 10 IKEE Cc1ccc(CSc2nnc(COc3c(C)cccc3C)n2N=Cc2ccccn2)cc1 2328545473 GQAMBKZVVODOAT-UHFFFAOYSA-N 443.576 5.352 30 10 IKEE CCSc1nnc(COc2cccc(C)c2C)n1N=Cc1ccc(Cl)c(Cl)c1 2328841321 LEFPSQODXZPOMM-UHFFFAOYSA-N 435.380 5.775 30 10 IKEE Cc1cccc(OCc2nnc(SCCc3ccccc3)n2N=Cc2cccn2C)c1C 2328849889 CXJZOCKSFVJTGI-UHFFFAOYSA-N 445.592 5.029 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2N=Cc2cccnc2)cc1 2329288503 WETFBMPFUROBPU-UHFFFAOYSA-N 449.967 5.100 30 10 IKEE C=C(C)CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1ccc(N(CC)CC)cc1 2330108999 RDFXHDXZRSXPNG-HXUWFJFHSA-N 433.625 5.827 30 10 IKEE CCOc1ccc(C=Nn2c(Cc3cccs3)nnc2SCc2ccccc2)cc1 2330390399 STLDCDHVSAYZSX-UHFFFAOYSA-N 434.590 5.504 30 10 IKEE COc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1cnccn1 2330616262 LIECLXKBUWQPIK-UHFFFAOYSA-N 436.467 5.268 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)c(C)c3)c(OC)c2)cc1 2330770018 UIYOYNDMGFPKDD-UHFFFAOYSA-N 432.491 5.749 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3Cl)cc2)c1 2330805322 QOTMACYZKCGXBD-UHFFFAOYSA-N 425.311 6.726 30 10 IKEE CC(C)(C)Cc1nnc(SCCc2ccccc2)n1N=Cc1ccc(Cl)c(Cl)c1 2330854895 WDOBYUDQNBCWCS-UHFFFAOYSA-N 447.435 6.391 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2[N+](=O)[O-])c1 2331149625 LMGKDOFGZHUFCF-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE CCOc1cccc(C(=O)Oc2c(OC)cc(C=CC(=O)c3ccccc3)cc2OC)c1 2331165547 XFMBLYXHTRBSLE-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(Br)c(OC(=O)C(C)C)c(OC)c1 2331366270 HTUDSYCWTUYGDX-UHFFFAOYSA-N 447.325 5.232 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(CC(C)C)nnc1SCc1ccc(C)cc1 2331421759 PFWWHZREFIXMFS-UHFFFAOYSA-N 444.604 6.121 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2C2CCC2)cc1 2331493076 RUEBRCUMHWZETE-UHFFFAOYSA-N 437.588 5.705 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1 2331554854 FPUUHTYTJAUESB-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1ccc(F)c(F)c1F 2331570851 BCWYBPAZXUXFAC-UHFFFAOYSA-N 448.343 5.506 30 10 IKEE CC(C)c1nnc(SCc2ccccc2)n1N=Cc1cc(Br)ccc1O 2331698190 MCCSTDBGTIMHMS-UHFFFAOYSA-N 431.359 5.044 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 2331715498 WSSYLYAKFYBITM-UHFFFAOYSA-N 442.555 6.725 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc1OC 2331761514 AXODJYNNXBIYIM-UHFFFAOYSA-N 444.955 6.438 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(Br)c1OC(=O)C1CC1 2331773832 LYPQGKVWPYLXRL-UHFFFAOYSA-N 443.337 5.594 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)cc(Cl)c1OC(=O)C1CC1 2331860898 GFVUOMCMZSLGBN-UHFFFAOYSA-N 439.722 6.257 30 10 IKEE CC#CCN(C[C@H](NCC)c1c(Br)ccc(Cl)c1F)C(=O)OC(C)(C)C 2337907453 ORTLLTBVYXENCN-HNNXBMFYSA-N 447.776 5.153 30 10 IKEE C[C@@H](Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)c1cc(Br)cs1 2365054187 INFIVYMJGFQMEZ-CYBMUJFWSA-N 435.196 5.723 30 10 IKEE CO[C@H](C#C[C@H](O)c1cc(NC(=O)OC(C)(C)C)ccc1Br)C1CCCC1 2369515028 IJVWSBBZZKCFLL-RBUKOAKNSA-N 438.362 5.038 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(Nc2ccccc2Br)[C@@H]1C(F)(F)F 2370260750 JAVCHZOPKDMSQE-RHSMWYFYSA-N 448.283 5.085 30 10 IKEE C=CCN(C(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1)c1ccccc1 9433153 SNTCFGIOXNQWRE-LOSJGSFVSA-N 444.600 5.904 30 10 IKEE CC1=C(C(=O)Nc2ccc(F)cc2F)[C@H](c2ccccc2Cl)C2=C(CCCC2=O)N1 10013487 FJSMDQJXVWOXQR-NRFANRHFSA-N 428.866 5.225 30 10 IKEE CN(C)c1ccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3n2C(F)(F)F)cc1 13068616 MKUVIFUUCSVVCN-SILNSSARSA-N 435.449 6.002 30 10 IKEE CCCCSc1ccc(/N=C2/C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1 16639428 FAMYQJZSHBHTIU-SOYKGTTHSA-N 434.992 6.900 30 10 IKEE COc1ccccc1/C=C\C(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 33376217 LRMGKIOGSYAGQB-GDNBJRDFSA-N 436.305 5.606 30 10 IKEE O=C1/C(=C/c2ccccc2Br)Oc2cc(OCc3ccc(Cl)cc3)ccc21 33586072 BFSZCVGAGHTQHH-NHDPSOOVSA-N 441.708 6.298 30 10 IKEE CCCN(CCC)S(=O)(=O)c1cccc(-c2csc(N/N=C/c3ccccc3)n2)c1 33960067 GGYGVKNUHYBGJK-XQNSMLJCSA-N 442.610 5.067 30 10 IKEE O=C1/C(=C/c2cccc([N+](=O)[O-])c2)S/C(=N/c2cccnc2Cl)N1C1CCCCC1 39864154 FPQPQAOZDLKYSD-QACXOHACSA-N 442.928 5.580 30 10 IKEE COc1ccc(OC)c(/C=C2\S/C(=N/c3nccs3)N(C3CCCCC3)C2=O)c1 39865055 OZSHSUWYCXRMQJ-ZIARRYFKSA-N 429.567 5.097 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCc4ccc(C)cc4)cc(C)c3C2=O)c(OC)c1OC 41433385 KFFYUIXZTNDZRF-QRVIBDJDSA-N 446.499 5.524 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(CN(C)Cc3ccccc3)c(O)cc(C)c2C1=O 41514554 ISSLJZVVKCCSOH-IWIPYMOSSA-N 429.516 5.348 30 10 IKEE Cc1cccc(CSc2nnc(N/N=C/c3ccc(OCc4ccccc4)cc3)[nH]2)c1 59309657 YNAFARKDSLUSHM-MFKUBSTISA-N 429.549 5.430 30 10 IKEE CCc1ccc(/N=C2/C(=O)N(CN(C3CCCCC3)C3CCCCC3)c3ccccc32)cc1 59378062 QNJUDCVDKCWIMX-SJCQXOIGSA-N 443.635 6.641 30 10 IKEE Cc1cccc(OCCSc2nc3ccc(/N=C/c4ccc(Cl)cc4)cc3s2)c1 59855000 KDPDMSKDHJQURK-MFKUBSTISA-N 439.005 7.180 30 10 IKEE Cc1c(Cl)cccc1N/C(=N\C(=O)c1ccccc1)NCCc1c[nH]c2ccccc12 66437747 LNQQSOLWYZOADD-UHFFFAOYSA-N 430.939 5.570 30 10 IKEE CCCCCCCOc1ccc(NCC(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1 100077635 QCFKVWOWMDJYDG-UHFFFAOYSA-N 425.573 5.681 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2ccc(C(=O)N(C)c3ccccc3)cc2)cc1 100312067 PARZPTBBWSEYKE-UHFFFAOYSA-N 444.575 6.565 30 10 IKEE C=C(CC[C@H](C)[C@H]1[C@H](O)C[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 153343632 TYAFBMTZMSJDIO-FVGHRINDSA-N 430.673 5.496 30 10 IKEE biogenic COc1ccccc1-c1csc(N/N=C\c2ccc(OCc3ccccc3)c(Cl)c2)n1 169939963 BCUHCEKHWUPDSS-WGARJPEWSA-N 449.963 6.497 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2cccc(C)c2)c1 169970172 IZZXYYKHLDGCEJ-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE CC(C)Oc1cccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2C2CCCC2)c1 169981599 CDCSLUSFLSCNPV-RUZDIDTESA-N 433.548 5.314 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 170029428 IJPSCIVSPQDPBZ-QHCPKHFHSA-N 447.918 5.830 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccco2)cc1Cl 170092165 QWWJDQCUPYDUBL-NRFANRHFSA-N 437.879 5.341 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccco2)c1 170098114 JDNXAZWORCMTIB-HXUWFJFHSA-N 430.485 5.289 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1cccc(OC)c1 170120509 HVIRYXPBFQLBCE-OAQYLSRUSA-N 439.895 5.473 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccccc2)cc1C(C)C 170224588 SDOWBDTWEDVZJX-XMMPIXPASA-N 443.499 5.307 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccccc2)cc1 170224890 UYROVHTYOGAABY-VWLOTQADSA-N 435.479 5.631 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccccc1 170228835 LWVXTGYFEJIPOM-XMMPIXPASA-N 427.500 5.565 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(F)cc1)c1c[nH]c2ccccc12 170237225 CMUSRCFSCZWSLX-NRFANRHFSA-N 432.476 5.147 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1)c1ccc2c(c1)CCCC2 170238540 SQZYEUKCOQLJTN-XMMPIXPASA-N 445.465 5.627 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccccc1F)c1ccc(Cl)c(Cl)c1 170251639 NTCPYVKOROLCMA-FQEVSTJZSA-N 448.321 6.044 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1cn(C)c2ccccc12 170269601 PXNFHZRXDDACII-DEOSSOPVSA-N 446.547 5.201 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccc(C)o2)c1 170301633 NBYNGVIQLWCCLU-DEOSSOPVSA-N 445.515 5.777 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2Cc2ccc(F)cc2)o1 170311135 IJSPTSWVRCEMEN-QHCPKHFHSA-N 449.478 5.293 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cccc(C)c2)cc1OC 170362934 UBOZYLSADQYDJP-QFIPXVFZSA-N 449.528 5.247 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2c[nH]c3ccccc23)cc1 170383336 FCINUFHBDNZAFC-QHCPKHFHSA-N 442.540 6.136 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(N(C)C)cc2)cc1 170452113 QMEDHFFAKQERGR-VWLOTQADSA-N 449.595 5.114 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)c2ccccc2C(F)(F)F)nc2c(C)cccc12 170536777 YNDCVGUAPQCRFS-UHFFFAOYSA-N 435.409 5.180 30 10 IKEE CCCCCCCC[C@@H](NN)c1cc(Br)ccc1I 232929181 FHNPIKSMHIFJRA-OAHLLOKOSA-N 439.179 5.309 30 10 IKEE CCCOc1ccccc1/C=C1/SC(=Nc2ccccc2C)N(c2ccccc2C)C1=O 252623333 OOPHUGDEBSWVEU-OFGWUVNBSA-N 442.584 6.901 30 10 IKEE COc1ccc(N=C2[C@H](N3CCCCC3)C3(CCCCC3)C(=O)N2c2ccc(C)cc2)cc1 254292627 XDCJEFXHDHXMHZ-VWLOTQADSA-N 445.607 5.885 30 10 IKEE CCN1/C(=C2/SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)Sc2ccccc21 254292964 DGGWKBKZPUJPPX-VUQCETKJSA-N 443.597 6.251 30 10 IKEE O[C@](Cc1ccccc1)(c1ccccc1)c1ccccc1N=Cc1ccc(Cl)c(Cl)c1 254312186 TZQAMRXGNMSWBK-HHHXNRCGSA-N 446.377 7.223 30 10 IKEE Br/C(C=NN1CCN(Cc2cccc3ccccc23)CC1)=C\c1ccccc1 254791853 WEVQENAYLUVJHK-IVDVRSPQSA-N 434.381 5.379 30 10 IKEE Cc1ccc(-c2nc3cc(N=Cc4cc([N+](=O)[O-])cc([N+](=O)[O-])c4O)ccc3o2)cc1C 254873945 UUYDDNSSVCHSOD-UHFFFAOYSA-N 432.392 5.384 30 10 IKEE C=C(COC(C)C)[C@@H](NCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 407412855 MYKAIMQWRGWUPY-GOSISDBHSA-N 427.383 5.428 30 10 IKEE C=CCc1cc(CNC(=O)c2cc(NC(=O)CC(C)C)ccc2Cl)cc(OC)c1OC 525027763 VABLXAMXWKALEB-UHFFFAOYSA-N 444.959 5.000 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2sccc2C)cc1OC 526516133 NCORTBIESWXSRD-OAQYLSRUSA-N 432.501 5.003 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(C)o2)cc1OCC 526521708 NCJTZUTZMKLISI-DEOSSOPVSA-N 444.487 5.314 30 10 IKEE Cc1ccc(NC2=C(Sc3ccccc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1Cl 526636169 IXWZXOXSPAJESR-UHFFFAOYSA-N 445.931 5.509 30 10 IKEE CCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1cc(Cl)c(O)c(Cl)c1 526809806 OEXNWQNYMWJCIA-RMORIDSASA-N 435.380 5.644 30 10 IKEE FC(F)(F)c1cccc(/C=N\n2cnnc2SCc2ccc(Cl)c(Cl)c2)c1 526812732 JNVFHRUAPZBNKY-GYRAYZOKSA-N 431.270 5.778 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1ccc(Cl)c([N+](=O)[O-])c1 526818872 FCZBFKWLROQDDR-FMCGGJTJSA-N 443.960 5.584 30 10 IKEE CCCCOc1ccc(/C=N\n2c(CCC)nnc2SCc2cccc(F)c2)cc1 526825083 ITIPUSKYXWDCRH-XYGWBWBKSA-N 426.561 5.723 30 10 IKEE C[C@H]1C[C@H](C)CN(C(=O)Nc2ccc(C(=O)Nc3scc(C(C)(C)C)c3C#N)cc2)C1 586681029 VCJVFUVOABKTLB-HOTGVXAUSA-N 438.597 5.679 30 10 IKEE CCCCCCCC[C@@H](NC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 693661549 PDJVRJJSPGUNQF-XMMPIXPASA-N 445.692 5.885 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@@H]1CCCN1C(=O)OC(C)(C)C 698371950 GDHVTNMDUKLNMG-CYFREDJKSA-N 445.560 5.118 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2cccc(Br)c2F)cc1 698965800 MCEZVMNZSSMCTP-KRWDZBQOSA-N 435.293 5.603 30 10 IKEE Cc1ccccc1C=NN=C1S/C(=C/c2ccc(Cl)cc2)C(=O)N1Cc1ccco1 1772757107 LXTRFIAHLLSXRW-PFZYSIKNSA-N 435.936 5.748 30 10 IKEE CCN1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=Nc1ccc(C(=O)O)c(O)c1 1772763221 XLGKOPXQNRLUAS-KCBCAQTCSA-N 437.304 5.021 30 10 IKEE CCc1sc2nc(CC)n(Cc3cccc(C#N)c3)c(=O)c2c1-c1ccc(Cl)c(C)c1 1857802959 STCVJXKSLSIJLB-UHFFFAOYSA-N 447.991 6.132 30 10 IKEE Cc1ccc(-c2nn(-c3ccccc3F)cc2/C=N\NC(=S)Nc2ccccc2)cc1 1857810542 NIGMXYIJJLNWNF-YSMPRRRNSA-N 429.524 5.307 30 10 IKEE CCCCCCCCn1cc(OCCCCOc2ccc(C)cc2)c(=O)cc1C(=O)O 1857891605 ZJIJSVYPQYIRQU-UHFFFAOYSA-N 429.557 5.453 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccc2OCc2ccccc2Cl)c1 1858732055 KPHFYODGCKHSOW-UHFFFAOYSA-N 435.955 6.404 30 10 IKEE CCCCCCCOc1cccnc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1858741093 IARYZBNWIGUHID-UHFFFAOYSA-N 448.407 6.721 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccccc1Cl 1861015062 PEMAQOUIXUWNRQ-JOCHJYFZSA-N 432.967 5.297 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)c1cccc(OCC(C)C)c1 1861757638 HQDOZNJONKMUNI-RUZDIDTESA-N 446.676 6.267 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(F)cc2F)n(-c2ccc(Cl)c(Cl)c2)n1 1862340056 IDCDJQVHRUDVMO-UHFFFAOYSA-N 448.300 5.939 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOCC)[C@H]2c2ccc(F)cc2)cc1 1862390541 GHLVNDDAVVBPPA-QHCPKHFHSA-N 439.527 5.173 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(N(CC)CC)cc1 1862440139 SRIHAOBTADIOLJ-KSFYIVLOSA-N 440.971 5.563 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)c1 1862444563 AWJZQJPLIVIXQC-ZAOYMGCJSA-N 439.939 5.506 30 10 IKEE CCN(CC)CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(C)cc1 1862475579 PTYZPSJGWHETNH-XMMPIXPASA-N 434.580 5.004 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2ccc(C)cc2)cc1 1862554533 FGLAOJDAXCIQMB-IQGLISFBSA-N 440.543 5.479 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccccc1Cl 1862594392 DDZDJIKTXZSVAS-VGOFRKELSA-N 441.955 5.983 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc(O)c1 1862650509 XOPYMNBLUQMCQF-XMMPIXPASA-N 429.516 5.704 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccc(F)cc2)cc1 1862663295 QUUPSECNUCYZRZ-VWLOTQADSA-N 449.566 6.640 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(F)cc1F)c1ccc(F)cc1 1862675574 ORJWQQJXENPAGW-NRFANRHFSA-N 441.380 5.022 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)c(Cl)c2)=C(c2ccc(F)cc2)C1=O 1863140001 GNFYNDCFGRMULM-UHFFFAOYSA-N 446.925 6.171 30 10 IKEE CCCCCCN1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(OC(C)C)cc2)C1=O 1863356860 MERJPYKFBKEXPN-UHFFFAOYSA-N 431.536 5.118 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2cc(C)ccc2C)C1=O 1863401675 FBENJNQVICEDMK-UHFFFAOYSA-N 429.564 5.728 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2F)C(=O)N(Cc2cc(C)ccc2C)C1=O 1863647824 ZXKFAFJGPAREJT-UHFFFAOYSA-N 436.571 5.673 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(OC)cc2OC)C(=O)N(CC(C)C)C1=O 1863751765 IUDFFCSSKPZCBK-UHFFFAOYSA-N 444.616 5.170 30 10 IKEE CCCCCCCCNC1=C(c2c[nH]c3ccccc23)C(=O)N(Cc2ccccc2)C1=O 1863811083 JTOPWDMFRHPVDO-UHFFFAOYSA-N 429.564 5.398 30 10 IKEE CC(C)c1cc(C(C)C)cc(-n2nnc(C#N)c2NC(=O)c2ccc(Cl)cc2Cl)c1 1870147837 JGMVSNIGXHSFGM-UHFFFAOYSA-N 442.350 5.945 30 10 IKEE C=CCn1cc(OCc2ccc(C(C)C)cc2)c(=O)cc1CSc1ccc(Cl)cc1 1870273160 PDUBNDZDEXIEBA-UHFFFAOYSA-N 440.008 6.682 30 10 IKEE C=CCOc1cn(Cc2ccccc2Cl)c(CN(CCCC)CCCCCC)cc1=O 1870384198 WMWDIAFHNZCVNB-UHFFFAOYSA-N 445.047 6.297 30 10 IKEE C=CCOc1cn(Cc2ccc(F)cc2)c(CNc2cccc(C(F)(F)F)c2)cc1=O 1870808965 IYUASAXVDCOTJF-UHFFFAOYSA-N 432.417 5.231 30 10 IKEE CCCCCCCOc1cn(C[C@@H]2CCCO2)c(CNc2ccccc2C(C)C)cc1=O 1870833404 HIYBIJDMFPWBKV-QHCPKHFHSA-N 440.628 6.112 30 10 IKEE C=CCn1cc(OCCCCCC)c(=O)cc1CNc1ccc(OCc2ccccc2)cc1 1871124096 NLMDMFVAGDGPQN-UHFFFAOYSA-N 446.591 6.185 30 10 IKEE CCCCCCCCN=c1nc2c(cnn2C)c(Nc2ccc(C)c(Br)c2)[nH]1 1871295116 GRWUPJWGZXQGDO-UHFFFAOYSA-N 445.409 5.372 30 10 IKEE O=C1/C(=C/C=C/c2ccccc2)Oc2c1ccc1c2CN(Cc2nc3ccccc3[nH]2)CO1 1871348575 HDSJXYHPCWTKNW-WYZMFLDLSA-N 435.483 5.087 30 10 IKEE Cc1cc(OC(=O)c2ccc(F)c(F)c2F)cc2c1C(=O)/C(=C/c1ccccc1Cl)O2 1871370286 IRNAJRIBXBGFPA-NVMNQCDNSA-N 444.792 5.901 30 10 IKEE CCCCN(CC)Cc1c(O)ccc2c1O/C(=C\c1cn(C)c3ccc(OC)cc13)C2=O 1871395808 PVYYXKPWTQJKBA-CFRMEGHHSA-N 434.536 5.131 30 10 IKEE CC(C)(C)c1ccc(OCCOc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871414787 OXHNLXDKXHZAEP-XYGWBWBKSA-N 432.491 6.197 30 10 IKEE Cc1c(OCCC(=O)OCCC(C)C)ccc2c1O/C(=C\c1ccc(Cl)cc1)C2=O 1871428967 CGBFDDNJXOCDBB-STZFKDTASA-N 428.912 5.623 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccccc1CC)S(=O)(=O)c1ccc(F)cc1 1872475531 LRVAUGMTHGDYTE-QHCPKHFHSA-N 446.588 5.152 30 10 IKEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(C)c(C)c1 1872523474 NFWPAPFYLNBIRP-DEOSSOPVSA-N 442.625 5.150 30 10 IKEE N#C[C@@H](C(=O)Cc1ccc(Br)cc1)c1nc(-c2ccc3ccccc3c2)cs1 1872760473 PJIUGLKIPCXKLZ-FQEVSTJZSA-N 447.357 6.145 30 10 IKEE N#C[C@@H](C(=O)COc1cc(Cl)ccc1Cl)c1nc(-c2ccccc2Cl)cs1 1872764830 ZKEMBZLEDYTKAK-ZDUSSCGKSA-N 437.735 6.026 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)[C@@H](C#N)c1nc(-c2ccc(F)cc2F)cs1 1872766316 FKWVVXWUSGKAPR-LLVKDONJSA-N 439.270 5.894 30 10 IKEE COc1cc(/C=C/C(=O)[C@@H](C#N)c2nc(C(C)(C)C)cs2)cc(Br)c1OC 1872768612 XUIUQUAEKKENLX-KTRBRXNASA-N 449.370 5.110 30 10 IKEE COc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1OC 1872768775 BSDMDFLDHKDSIP-ZDUSSCGKSA-N 433.316 5.624 30 10 IKEE N#C[C@@H](C(=O)c1ccccc1C(=O)c1ccccc1)c1nc(-c2ccc(F)cc2)cs1 1872776861 ZOXRBIAJDSQRNJ-NRFANRHFSA-N 426.472 5.670 30 10 IKEE COc1ccc(CC(=O)[C@H](C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1 1872784398 SNOYQRXLRACTHM-KRWDZBQOSA-N 426.925 5.208 30 10 IKEE CCCCCCCCCCNC(=O)c1cccc(COc2cccc3c2OC(C)(C)C3)c1 1872827291 STKLCFJTHUYYCR-UHFFFAOYSA-N 437.624 6.850 30 10 IKEE CCCCCCCCNC1=C(c2c(Cl)cccc2Cl)C(=O)N(Cc2ccco2)C1=O 1873095433 DVCGZVIRCMQFMH-UHFFFAOYSA-N 449.378 5.817 30 10 IKEE CCCCCCCCNC1=C(c2cc(F)cc(F)c2)C(=O)N([C@H]2CCCC[C@H]2C)C1=O 1873113722 ZSEIOPVVYMZSMP-UTKZUKDTSA-N 432.555 5.574 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccc(OC)cc2)=C(c2ccccc2)C1=O 1873157897 YPPNLTUAQRBIBC-UHFFFAOYSA-N 448.607 5.706 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(OCC)c2)=C(c2ccccc2C)C1=O 1873305455 FOCCQQNCUDPJCN-UHFFFAOYSA-N 434.580 5.946 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Cl)c(C(F)(F)F)c2)=C(c2c(C)cc(C)cc2C)C1=O 1873330416 GENFBSNNWMOBFO-UHFFFAOYSA-N 448.872 5.662 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)NCCCCCCCC)n2Cc1ccco1 1873596643 GUGSEXCCCZBAHG-UHFFFAOYSA-N 449.599 5.341 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)Nc1cccc(C)c1)n2CCC 1873629145 OAHBAUSMKNGTLZ-UHFFFAOYSA-N 449.643 6.955 30 10 IKEE C=CCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1ccc(F)cc1F 1874247614 NGWWAKKYWWRARQ-MFKUBSTISA-N 428.508 5.037 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1ccc(C(C)C)cc1 1874257874 CFHPBZJGAWXWBH-JVWAILMASA-N 448.636 6.483 30 10 IKEE CCCCC1CCC(c2nnc(SCC)n2/N=C/c2ccccc2OC(C)C)CC1 1874285351 WLJMNVMJRRNSDZ-KOEQRZSOSA-N 428.646 6.524 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(Cc3ccc(Cl)cc3)nnc2SC)cc1 1874339338 RYGUXUAHFYYDJR-LFVJCYFKSA-N 428.989 5.695 30 10 IKEE Cc1cccc(CSc2nnc(COCc3ccccc3)n2/N=C/c2ccccc2C)c1 1874353037 NRWULIXVDAOHMT-JVWAILMASA-N 442.588 5.786 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3F)n2/N=C/c2ccccc2F)cc1 1874389489 QMAJOWKMWLMQNQ-JFLMPSFJSA-N 434.515 5.630 30 10 IKEE CCc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCCc2ccccc2)cc1 1874408344 RFHPRUKSJNJYIX-NHFJDJAPSA-N 432.637 6.180 30 10 IKEE O=[N+]([O-])c1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2-c2cccs2)cc1 1874421450 MTTUKGCQZXXGLP-WSDLNYQXSA-N 439.497 5.228 30 10 IKEE COc1ccccc1/C=N/n1c(CC(C)(C)C)nnc1SCc1cccc(Cl)c1 1874440527 GAVKTKYRZGIAJM-ZVHZXABRSA-N 428.989 5.703 30 10 IKEE Fc1ccc(CSc2nnc(C(F)(F)F)n2/N=C/c2c(F)cccc2Cl)cc1 1874459369 JRJKHYCFDYOXMM-KTZMUZOWSA-N 432.805 5.403 30 10 IKEE FC(F)(F)c1nnc(SCCc2ccccc2)n1/N=C/c1cccc2ccccc12 1874461405 LWPQXHYPUBKKBR-CVKSISIWSA-N 426.467 5.667 30 10 IKEE CCCc1nnc(SCC)n1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1874506559 JIYRXEOEEIRJME-YZSQISJMSA-N 430.577 5.957 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1cccc(Br)c1 1874515508 BBQPRVHXAGGTOL-SSDVNMTOSA-N 449.805 5.992 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2cccc3ccccc23)nnc1C1CC1 1874520789 OESXLZRGBAWIRU-WPWMEQJKSA-N 440.572 6.048 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CC2)cc1 1874523590 WWKNAASQNDGYQQ-WYMPLXKRSA-N 447.391 6.036 30 10 IKEE CCCOc1ccc(/C=N/n2cnnc2SCc2cccc(Cl)c2)cc1OCC 1874540756 YSZDYBLZDLIYEC-ZMOGYAJESA-N 430.961 5.294 30 10 IKEE Cc1ccccc1COc1ccc(/C=N/n2c(S)nnc2Cc2ccc(F)cc2)cc1 1874562010 WPKIKXNUEXJSIF-CVKSISIWSA-N 432.524 5.066 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1OCc1cccc(F)c1 1874573401 MFRJZHQVIBAOJQ-DHZHZOJOSA-N 431.290 6.616 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3cc(C)ccc3C)c2)cc1 1874595192 YRIGAGZRLRPJAQ-NTUHNPAUSA-N 445.515 5.234 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2ccc(OC)c(OC)c2Br)cc1Cl 1874598971 OPVBCYZFNHWSOB-FNORWQNLSA-N 441.705 5.033 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OCC(=O)Nc3cccc(C)c3C)c2)cc1C 1874600775 CHRHVKCHSDUUKC-OUKQBFOZSA-N 443.543 5.842 30 10 IKEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1OCC 1874601650 VPSSYCNNCZYKSS-MHWRWJLKSA-N 444.527 5.980 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1cccc(C)c1C 1874616563 ICQUXBMRJADANE-RVDMUPIBSA-N 443.543 5.924 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)cc1 1874616821 UPFJAMMLOSDLPP-LZYBPNLTSA-N 443.543 6.006 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(Cl)c3)c(OC)c2)cc1Cl 1874636688 NDEUDAUGQILXKL-RMKNXTFCSA-N 443.326 6.486 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1OC(=O)Cc1ccccc1 1874693535 JWKIKLXABCERQX-RVDMUPIBSA-N 426.512 5.618 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3cccc(OC)c3)ccc2OC)cc1 1874694801 UUFTXFDMDQDKGG-RIYZIHGNSA-N 432.472 5.218 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(CCCC)cc2)cc(OC)c1OC(=O)C(C)(C)C 1875108007 TYAMSBCOHMLUHU-SAPNQHFASA-N 434.576 6.614 30 10 IKEE Cc1nc2ccc(C(=O)Oc3ccc(/C=C/C(=O)c4ccccc4Cl)cc3)cc2nc1C 1875111383 HJVPZAKFOCBRRP-NTEUORMPSA-N 442.902 6.015 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1 1875116864 WQAMEWXVYKRNIW-LZYBPNLTSA-N 431.444 5.038 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2OC)cc(OC)c1OC(=O)c1ccccc1C 1875119900 SFDIFVDQXGJHMY-FOCLMDBBSA-N 442.511 5.856 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC(=O)c1ccc(Cl)cc1 1875122587 QBOQDSNCOQNVPW-WTDSWWLTSA-N 428.818 5.742 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(C)cc2C)cc1OC 1875131231 NAQPRCWQQRGFOU-ACCUITESSA-N 428.956 6.737 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1Cl 1875133155 HQIUGPSNIDKAIN-NTEUORMPSA-N 434.919 6.091 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl 1875136322 JIKLVTDFFZTCFZ-MWQXYBBBSA-N 446.930 6.262 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)COc1ccc(C)cc1C 1875139904 GYYIEJOPGJZWMQ-PKNBQFBNSA-N 444.527 5.809 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3cccc4ccccc34)cc2)c1 1875154147 QZROKWYKMXGDIR-NBVRZTHBSA-N 436.507 6.283 30 10 IKEE C=CCCOc1ccccc1[Sn](CCCC)(CCCC)CCCC 1885687927 RTAQLOXFNWRCNV-UHFFFAOYSA-N 437.256 6.698 30 10 IKEE O=C(Cc1cc(F)ccc1C(F)(F)F)Nc1cccc(-c2ccc(C(F)(F)F)cc2)c1 1890676683 WIMRVRWFCXPUBD-UHFFFAOYSA-N 441.346 6.712 30 10 IKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CN(Cc2ccccc2)C2(CCCCC2)C1 1950346405 DRIZDJNYTVIKRS-RLWLMLJZSA-N 425.617 5.893 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@H](C#N)[C@@]1(C)CCCN1C(=O)OC(C)(C)C 2020799519 WYOZSKJKJABOHW-WZONZLPQSA-N 449.979 5.763 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]([C@@](C)(C#N)N(C(=O)OC(C)(C)C)C2CCCC2)CC1 2023550923 LWIKRHJQSRJPBP-NXMSCROESA-N 435.609 5.532 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCN(C(=O)OC(C)(C)C)C12CCCC2 2024623878 KGYCZSVKRGODFT-UUOWRZLLSA-N 435.609 5.628 30 10 IKEE Cc1cc(Br)c([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)s1 2029268802 XQIUICIGUXFGIX-HNNXBMFYSA-N 441.778 6.479 30 10 IKEE CCOc1cc(C=C2SC(=Nc3ccccc3)N(CC(C)C)C2=O)cc(Cl)c1O 2040467111 YASOULSQRVOPLY-UHFFFAOYSA-N 430.957 5.704 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@H]2CC[C@@H]21 2057587099 UWHUGQKXHUDOGH-KHOMTPLRSA-N 441.572 5.418 30 10 IKEE C=C([C@H](N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)[Si](C)(C)C 2071357819 RTPVBQLJJURZAC-RRPNLBNLSA-N 447.651 5.639 30 10 IKEE CC[C@@H](c1ccc(C2CCC2)cc1)n1nc(C(C)C)c(C#N)c1I 2079929553 WMMOJLZHBNPDNV-SFHVURJKSA-N 433.337 5.750 30 10 IKEE C#CCCCC[C@H](NCCC)c1cc(Br)ccc1I 2116842513 LZXJIRYLGAJTMQ-INIZCTEOSA-N 434.159 5.288 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(Cl)ccc(Br)c1F 2122139562 SZILBWSSHJYERS-RHSMWYFYSA-N 449.792 5.752 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H]3C[C@@H](OCc4ccccc4)C[C@H]32)c1 2133970859 XJQJELMVLBYJKX-RIUBDIQTSA-N 448.563 5.714 30 10 IKEE CC(C)c1ccccc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2174246192 HCPDXTUMBDIQPI-FQEVSTJZSA-N 429.358 6.579 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](CNc2ccc(C#N)cc2Br)CC12CCC2 2176863213 PNMZENZGJBUMHY-INIZCTEOSA-N 434.378 5.302 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C1 2220393804 RDEVZKZMGXUWFC-UAVUOLJFSA-N 447.551 5.495 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Br)cc1Cl 2222730232 HENBZKKKOIOJMI-SJORKVTESA-N 429.786 5.060 30 10 IKEE C=C([C@@H](NCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)C(C)(C)C 2237401730 AVFLXCASHYZUAU-RTBURBONSA-N 439.438 5.465 30 10 IKEE C=CCCCCCC[C@H](N)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237418406 LPGWQPWSFDAHET-VQTJNVASSA-N 439.438 5.739 30 10 IKEE CCCC#CC[C@@H](NCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237421646 JWNNQPZXLZUMCN-WOJBJXKFSA-N 437.422 5.057 30 10 IKEE N[C@H](C#Cc1ccc(Br)cc1)c1scc(Br)c1Br 2264175469 AWTXVRHREDEDOT-LLVKDONJSA-N 449.993 5.087 30 10 IKEE C=C(C)CN(Cc1ccccc1)C(=O)c1ccc2cc(B3OC(C)(C)C(C)(C)O3)ccc2c1 2281830633 OGYOUSWVTFTUCK-UHFFFAOYSA-N 441.380 5.358 30 10 IKEE Cc1cc(Cl)cc2c1C(=O)C(=C1C(=O)c3ccc(Cl)c4c(Cl)ccc1c34)S2 2293308648 PFLRZHFQASKZHJ-UHFFFAOYSA-N 431.727 7.004 30 10 IKEE COc1cc(C=C2SC(=Nc3ccc(F)cc3)NC2=O)ccc1OCc1ccccc1 2295494264 IPHUNEJHSDOCJV-UHFFFAOYSA-N 434.492 5.305 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1CC[C@H](O)C#Cc1cccc(Br)c1 2296233620 ZBCXDQAXMKTBON-MISYRCLQSA-N 436.390 5.025 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)CC1(NC(=O)OC(C)(C)C)CCC1 2296309803 AUZJPOLMAJXNAM-LJQANCHMSA-N 435.406 5.006 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)CC[C@H](C)CNC(=O)OC(C)(C)C 2296310377 JAVMVRBMMCPAOJ-FXAWDEMLSA-N 437.422 5.110 30 10 IKEE O=C(C=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1ccccc1 2297149102 YGDXBCKMROYHHD-GDLZYMKVSA-N 428.535 6.938 30 10 IKEE Cc1noc(NS(=O)(=O)c2ccc(NC=CC(=O)c3ccc4ccccc4c3)cc2)c1C 2297307875 CHALKWXORWLTJY-UHFFFAOYSA-N 447.516 5.054 30 10 IKEE CCN1C(=O)C(=C2Sc3ccccc3N2CC)SC1=Nc1ccc2ccccc2c1 2297708050 AFAIMFKUBBKBTB-UHFFFAOYSA-N 431.586 6.224 30 10 IKEE COc1ccc(C=C2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1OC 2313830397 IXKJEQQDDXKZRU-HMFPMLCJSA-N 436.592 5.590 30 10 IKEE C=C(C)CSc1nnc(C2CC2)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2320850087 SZYJKSWUVVWTKM-UHFFFAOYSA-N 438.984 5.938 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]2C)c1 2321344755 MLICLKPBRFMECH-RRQZXNHTSA-N 443.588 5.664 30 10 IKEE Cc1ccccc1CSc1nnc(C(C)C)n1N=Cc1c(C(=O)O)[nH]c2ccccc12 2321844725 TZJUQRLNPIOCRI-UHFFFAOYSA-N 433.537 5.064 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCc4cc(Cl)cc5c4OCOC5)c3C)C2=O)o1 2321880695 VOVHHPPQQAYOIH-UHFFFAOYSA-N 438.863 5.612 30 10 IKEE O=C(C=Cc1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)c1ccccc1Cl 2322436485 MZKMQTLHFRJIGY-UHFFFAOYSA-N 443.886 6.877 30 10 IKEE COc1cccc2cc(C(=O)Oc3cc(C)c4c(c3)OC(=Cc3cccs3)C4=O)oc12 2322860321 HAYIQBDMBCOHSU-UHFFFAOYSA-N 432.453 5.647 30 10 IKEE O=C(Cc1ccc(Cl)c(Cl)c1)Oc1ccc2c(c1)OC(=Cc1ccccc1)C2=O 2323417428 ZVNDXMLKEWLNFB-UHFFFAOYSA-N 425.267 5.758 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)cc1 2323485264 HRLWRTWYJCLQOH-UHFFFAOYSA-N 441.354 7.040 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Cl)c1OCc1ccc(F)cc1 2323758270 DEDOLRPQTOWPMR-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)c(OCc3cccc(C)c3)c(OC)c2)cc1 2323827313 SLJZQAHVYKHZNJ-UHFFFAOYSA-N 436.935 6.531 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Cl)c1OCc1cccc(F)c1 2323965888 VHYHKCQDKUJGCJ-UHFFFAOYSA-N 428.862 6.410 30 10 IKEE C[C@@H]1CN(Cc2c(O)ccc3c2OC(=Cc2ccc(-c4ccccc4)cc2)C3=O)C[C@@H](C)O1 2324017503 ZVLSSKKJLAAEFD-RTBURBONSA-N 441.527 5.285 30 10 IKEE CCOc1ccc(C=C2Oc3c(CN4CCCc5ccccc54)c(O)cc(C)c3C2=O)cc1 2324025470 AFKZERKFGGAQDO-UHFFFAOYSA-N 441.527 5.668 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)ccc1OCCc1ccccc1 2324044675 VBOMWTDKYFNKJL-UHFFFAOYSA-N 430.500 5.374 30 10 IKEE CCCN(CCC)Cc1c(O)cc(C)c2c1OC(=Cc1cccc(Br)c1)C2=O 2324097313 XJKLNORAYXETHG-UHFFFAOYSA-N 444.369 5.701 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)cc(Cl)c1OCc1ccc(F)cc1 2324128397 VZXCVJKHYBFLKD-UHFFFAOYSA-N 446.905 7.116 30 10 IKEE Cc1cccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4Cl)cc(C)c3C2=O)c1 2324395025 MEDBCSMNTGWPKX-KRWDZBQOSA-N 447.918 5.979 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccncc2)C3=O)c(C)c1 2324494563 BUNDDMYSRHBXJG-GOSISDBHSA-N 428.488 5.029 30 10 IKEE CCOc1c(Br)cc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1OC 2324665609 RMROIWVYQOUSNI-UHFFFAOYSA-N 430.125 6.059 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c(OC)c2OC)ccc1OCc1cccc(C)c1 2324725910 LFXLNFDTIUVUAF-UHFFFAOYSA-N 448.515 5.505 30 10 IKEE Cc1c(OCCOc2ccccc2F)ccc2c1OC(=Cc1cn(C)c3ccccc13)C2=O 2324852973 HRBWPYYKTSQAFY-UHFFFAOYSA-N 443.474 5.700 30 10 IKEE Cc1ccc(NC(=O)CCOc2ccc3c(c2C)OC(=Cc2sccc2C)C3=O)cc1 2325232102 FPHHCCRBIFAIEK-UHFFFAOYSA-N 433.529 5.697 30 10 IKEE Cc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2Cl)cc1 2325489792 QRGAXXWQYGNGPN-UHFFFAOYSA-N 432.980 6.005 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(OC)cc1 2325535571 FANPVFNMGIXMOF-UHFFFAOYSA-N 432.952 5.596 30 10 IKEE Cc1c(OCC(=O)Nc2cc(Cl)cc(Cl)c2)ccc2c1OC(=Cc1ccco1)C2=O 2325707959 KWFRTXGJMUJKSJ-UHFFFAOYSA-N 444.270 5.529 30 10 IKEE COc1cccc(C(=O)Oc2cc(C=CC(=O)c3ccc(OC)c(C)c3)ccc2OC)c1 2325713075 BKWJVKUQCXCVFU-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2ccc(F)c(C)c2)cc1OC(=O)C1CC1 2325741646 VOMMFJSRCSMIQW-UHFFFAOYSA-N 433.273 5.117 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2ccc(F)c(C)c2)cc1OC(=O)C(C)(C)C 2325741744 VXAOUDSCLFGUPD-UHFFFAOYSA-N 449.316 5.753 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(Cl)cc3Cl)c2)cc1 2325750740 GJYZDLUTIVJFFG-UHFFFAOYSA-N 439.338 7.232 30 10 IKEE Cc1cc(C(=O)Oc2cccc(C=CC(=O)c3ccc(C(C)C)cc3)c2)ccc1[N+](=O)[O-] 2325750750 LARFJMSBJOMBAW-UHFFFAOYSA-N 429.472 6.142 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OC(=O)c1ccc([N+](=O)[O-])cc1 2325759702 GOJNOYOWJONPAY-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(C)nnc1SCc1ccc(C(C)(C)C)cc1 2326320752 HYHGRQROCIDIRD-UHFFFAOYSA-N 444.604 6.220 30 10 IKEE CCCCCOc1ccc(C=Nn2cnnc2SCc2ccc(C)cc2C)cc1OC 2326432586 GUXUYDOCBQIDCK-UHFFFAOYSA-N 438.597 5.647 30 10 IKEE CCCCc1nnc(SCc2ccc(Br)cc2)n1N=Cc1cccc(C)c1 2326622154 MSPDWTZVOQYNIB-UHFFFAOYSA-N 443.414 5.866 30 10 IKEE Oc1ccc(C=Nn2cnnc2SCc2cccc3ccccc23)cc1Br 2326629355 DNIWUQNIVIQDHC-UHFFFAOYSA-N 439.338 5.074 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2C)n1N=Cc1ccc(C(C)C)cc1 2327089818 WSGVHYKTTDXODL-UHFFFAOYSA-N 448.636 6.272 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2ccc(O)cc2)cc1C 2328793339 IVNNAUGRHFXRTP-UHFFFAOYSA-N 444.560 5.354 30 10 IKEE CSc1nnc(Cc2ccccc2F)n1N=Cc1ccc(OCc2ccc(C)cc2)cc1 2329700147 XKOZAKWQTZZVJF-UHFFFAOYSA-N 446.551 5.500 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccccc3)nnc2[C@H](C)c2ccccc2)c1 2330102033 YMZNNWBYTGOJDM-LJQANCHMSA-N 428.561 5.613 30 10 IKEE Cc1cccc(C=Nn2c(Cc3cccs3)nnc2SCc2cc(C)ccc2C)c1 2330392937 GIADMNQILVCOSO-UHFFFAOYSA-N 432.618 6.030 30 10 IKEE CCN(CC)Cc1ccc(C=NNC(=S)NC2CCCCCCCCCCC2)cc1 2330465688 WXMGTGKTTVMGNX-UHFFFAOYSA-N 430.706 6.000 30 10 IKEE Oc1ccccc1C=Nn1c(SCc2c(F)cccc2Cl)nnc1-c1ccccc1 2330707358 AJXOQEKYZGAPIO-UHFFFAOYSA-N 438.915 5.618 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3ccc(CC)cc3)c(OC)c2)cc1 2330738633 REEHDCCSVNDAKB-UHFFFAOYSA-N 448.946 6.589 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3OC)c(OC)c2)cc1 2330770423 IKJKNYQMEMFUNU-UHFFFAOYSA-N 444.527 5.701 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)cc([N+](=O)[O-])c1OC(=O)CC(C)C 2330935807 XBRVIDMCQCCKMN-UHFFFAOYSA-N 431.872 5.495 30 10 IKEE CCc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2[C@@H]2CCCO2)cc1 2330965822 SAKBJXBYRIGMAZ-FQEVSTJZSA-N 426.973 5.520 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2331018465 WQAMEWXVYKRNIW-UHFFFAOYSA-N 431.444 5.038 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1sccc1C 2331154519 XADGAYGTPAVEMX-UHFFFAOYSA-N 426.921 6.224 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)CCc1ccc(OC)cc1 2331180195 DKOFUGPQEKHABI-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 2331183877 YZCUYFFUFLRODD-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)Cc1ccc(C)c(C)c1 2331232879 TULDNPFHNCRCPK-UHFFFAOYSA-N 428.528 5.973 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)CCc1ccc(Cl)cc1 2331331000 ORAPLONDAJEEKV-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE CCCCCCC(=O)Oc1c(OC)cc(C=CC(=O)c2ccc(F)c(C)c2)cc1OC 2331334677 AQGPALCZOSJKAP-UHFFFAOYSA-N 428.500 5.923 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CC(C)C)c(Br)c2)cc1F 2331456438 MUVFQSXXUNXHSQ-UHFFFAOYSA-N 435.289 5.444 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OC(=O)COc1ccccc1 2331485682 RPGJUKLGZDGKQI-UHFFFAOYSA-N 438.479 5.729 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)c1cccc(F)c1 2331532101 VZCAMBZCNITTKZ-UHFFFAOYSA-N 442.845 6.132 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)Cc1ccc(Cl)cc1 2331534446 IFTJEFBMZFJQLX-UHFFFAOYSA-N 438.882 5.922 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)COc1cccc(C)c1C 2331540091 GEBFNPPWZPNIDO-UHFFFAOYSA-N 434.463 5.332 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1OC(=O)C(C)C 2331649233 VJZJVYWJEWMODR-UHFFFAOYSA-N 428.956 6.430 30 10 IKEE COc1cc(C(=O)C=Cc2ccc(OC(=O)CC(C)C)c([N+](=O)[O-])c2)c(OC)cc1Cl 2331690151 PYNWVKOREOHHAQ-UHFFFAOYSA-N 447.871 5.113 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OC(=O)[C@H](C)c2ccccc2)cc1 2331741443 XDFAHRWRLSDUBG-GOSISDBHSA-N 434.919 6.262 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2sccc2C)cc1 2331752330 AJYLYUVRSOUDMR-UHFFFAOYSA-N 426.921 6.142 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)Cc1ccc(C)cc1 2331779624 MHVZDXBLOCDFSE-UHFFFAOYSA-N 442.555 6.363 30 10 IKEE CCN[C@H](C#Cc1cccs1)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2338326592 NAKLOVZMFDAJQJ-QGZVFWFLSA-N 435.387 5.560 30 10 IKEE CC1(C)[C@@H](OCc2ccccc2)C[C@H]1Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339574998 QGYFLSOGLSYHON-PPXNOBOXSA-N 434.389 5.522 30 10 IKEE CCN(CC(C)(C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2339582517 RCFJBMKYYFQKTP-CCEZHUSRSA-N 446.397 5.141 30 10 IKEE CCCCCCCCCCOc1cc(NC(=O)OC(C)(C)C)c(C)cc1Br 2370447303 BNBYMTVIPHNKGF-UHFFFAOYSA-N 442.438 7.624 30 10 IKEE COc1cc(/C=C2/Oc3cc(OCc4ccc(C)cc4)ccc3C2=O)cc(OC)c1OC 2104532 JXLWRKRYUVMCJI-SSDVNMTOSA-N 432.472 5.216 30 10 IKEE C=CCn1c(-c2cc(C)n(-c3ccccc3)c2C)cs/c1=N/c1cc(OC)cc(OC)c1 12561563 KEZGQDCUUJJHON-CYYJNZCTSA-N 445.588 6.060 30 10 IKEE C=CCOc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1Br 14669240 REZKINDAUVPPHR-UHFFFAOYSA-N 435.532 6.226 30 10 IKEE CC(C)CCSc1nnc(N/N=C/c2ccccc2OCc2ccc(Cl)cc2)[nH]1 21084930 WKENFFPNNDAIMA-YDZHTSKRSA-N 429.977 5.621 30 10 IKEE C=CCn1c(SCc2cc(=O)oc3ccc4ccccc4c23)nnc1-c1ccoc1C 21134423 WQWHDZHXXTWABV-UHFFFAOYSA-N 429.501 5.584 30 10 IKEE CN(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(F)c2)cc1 21254136 FABYKDNOCWVEQO-XHCCPWGMSA-N 427.523 5.871 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2C(F)(F)F)cc1 21254928 QISGYRQRQFYJPK-QFBILLFUSA-N 443.465 5.499 30 10 IKEE COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc3ccccc3c2)c1 21255480 SCIHKMGQMHBFCL-DJUQAAIZSA-N 446.550 6.828 30 10 IKEE C[C@@H]1Oc2ccccc2C=C1/C=C1/Oc2cc(OC(=O)c3ccccc3Cl)ccc2C1=O 33489472 FRBVDOPMDIZHET-MMTYYTLLSA-N 444.870 5.883 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1cccc2ccccc12 40096159 BLKJKLOTPAZZLX-CRICUBBOSA-N 441.527 5.542 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC)c2)[C@@H]1c1cccc(OCCC)c1 40101061 VEOHBWBZWSYBMH-QHCPKHFHSA-N 437.536 5.253 30 10 IKEE C/C(CC(C)C)=N\Nc1nc(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n[nH]1 59891731 XSWQPKDEVWIQOC-YSURURNPSA-N 448.902 5.042 30 10 IKEE C=CCOc1ccccc1NC(=O)CNc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 66072229 IUNUZJDQPWLBNH-UHFFFAOYSA-N 441.959 5.018 30 10 IKEE C=CCN1C(=O)/C(=C/C(=O)N[C@H](Cc2ccccc2)c2ccccc2)Sc2ccccc21 97629459 ICRVXRARNJZVFP-UTDQILSNSA-N 440.568 5.295 30 10 IKEE CCCCCCCC(=O)Nc1ccccc1[C@@H]1SCC(=O)N1c1ccccc1OC 98021304 LGSJAVJNBHTZMX-DEOSSOPVSA-N 426.582 5.773 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)/C=C/C(=O)N(CCC#N)CCC#N 100167144 KOUCFECHLDMUIB-VHEBQXMUSA-N 444.664 5.796 30 10 IKEE Cc1cccc(CN2c3ccccc3C(=O)/C(=C/Nc3ccc(C)cc3C)S2(=O)=O)c1 104402315 UJJRRYWJSUUCRM-IWIPYMOSSA-N 432.545 5.098 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2cccc(OC)c2)c1 169933272 AANHJIBIUKZDBP-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CCCCCCCCCOc1ccc([C@@H]2NC(=S)N(C)C(C)=C2C(C)=O)c(Cl)c1 169936944 BADSWFNQWNSBCX-QFIPXVFZSA-N 437.049 6.193 30 10 IKEE CCCCCCCCCOc1ccc(C[C@H]2[C@H](O)C3CCN2CC3)cc1Br 169941659 CYQWCEZRXBQHRD-JTHBVZDNSA-N 438.450 5.576 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccc(O)cc2)c(C)c1 169961578 OMHUBYSZSMZDTL-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2cccc(C)c2)c1 169972783 ZTGHNAZZBGAYIM-RUZDIDTESA-N 441.527 5.399 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccs2)cc1 169982955 HNUCZVGOASLNOV-HSZRJFAPSA-N 443.524 6.401 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2cccs2)cc1 169984613 DRCKOMVPWKMEBR-NRFANRHFSA-N 437.948 6.055 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2c2ccccc2)c1 170036439 LQWZPZIOKGFSSP-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccccc2)c1 170048931 ZVVJNPKQJMXSPV-DEOSSOPVSA-N 427.500 5.602 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccccc1F)c1cc2ccccc2o1 170070412 YBJOFQPWZLMLCA-JOCHJYFZSA-N 447.849 6.008 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1c[nH]c2ccccc12 170075395 HRBYTEQPYQLVBY-DEOSSOPVSA-N 438.483 5.268 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2ccccc2)c1 170141735 RPFNQXUARLXPBY-XMMPIXPASA-N 427.500 5.565 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccs2)cc1C 170163970 OHCFOBQIIVYVDX-NRFANRHFSA-N 425.550 5.366 30 10 IKEE Cc1ccc(-c2csc(C3=C(N)N(Cc4ccc(OC(C)(C)C)cc4)CC3=O)n2)cc1C 170180138 IZMNDNDHXBZPAE-UHFFFAOYSA-N 447.604 5.316 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccncc1)c1cc2cc(Cl)ccc2o1 170203535 ANNBEOUZMHXASV-NRFANRHFSA-N 430.847 5.264 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccccc1 170221686 VRZYPXAMDYYRBV-OAQYLSRUSA-N 433.529 5.152 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccccc2)c1 170225629 HBGDGVXNFVRCEQ-IQGLISFBSA-N 439.511 5.410 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1ccc(Cl)cc1 170236659 JTNRALKFUMWXNK-NRFANRHFSA-N 443.927 5.126 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1)c1cccc(Cl)c1 170238564 FDWPJGNSRSZKOG-FQEVSTJZSA-N 425.818 5.401 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@H]2c2ccc(CC)cc2)cc1 170267713 ZCBBFWONBYMFRU-VWLOTQADSA-N 449.591 6.196 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@@H]1c1ccco1 170288797 NERYYVGFWKUOPD-QFIPXVFZSA-N 449.890 5.349 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)cc2OC)[C@H]1c1sccc1C 170318649 DNJIQVKBWUOJBX-SFHVURJKSA-N 449.956 5.106 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(C(C)C)cc2)c1 170363792 DFXRXIBBZCDARF-HSZRJFAPSA-N 447.556 6.053 30 10 IKEE CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]3c3ccc(O)cc3)sc2c1 170451438 QWCSTAWSCDEFLZ-IBGZPJMESA-N 436.533 5.080 30 10 IKEE Cc1cccc(N2C(=O)C(=O)/C(=C(O)/C=C/c3ccccc3)[C@@H]2c2ccc(Cl)cc2)c1 229055131 JJOJGHBTMVKRMC-FUYVDWOOSA-N 429.903 5.831 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(N(CC)CC)cc2OC)SC1=Nc1ccc(OC)cc1 252629601 UJUOMSBOBXQIEM-IBORXNHRSA-N 439.581 5.174 30 10 IKEE Cc1cccc(N=C2C=C(NCc3ccccc3)c3noc4c3c2c(O)c2ccccc24)c1 254386833 OQYUZQRARMFKNC-UHFFFAOYSA-N 431.495 6.260 30 10 IKEE CCN1C(=O)/C(=C2/Sc3ccccc3N2C)SC1=Nc1ccc(-c2ccccc2)cc1 254866261 CVPFOUAZYJXPCJ-VUQCETKJSA-N 443.597 6.348 30 10 IKEE C=C([C@@H](NCCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1)C(F)(F)F 407040062 YHJLFXMFAFLWCS-OAHLLOKOSA-N 437.300 5.955 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(Cl)cccc1Br 407519992 NPHQGRVKHDLYJT-FUHWJXTLSA-N 445.829 6.003 30 10 IKEE COc1cc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2ccc(C#N)cc2)ccc1OC(C)C 526489813 SOWIGFYPIOUZGZ-QHCPKHFHSA-N 446.528 5.473 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccc(F)c2)c1 526517858 XILVBDZAWJJETF-DEOSSOPVSA-N 428.463 5.543 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccc(Cl)cc2)c1 526808127 BSKYJZWRAHZZHH-QQXSKIMKSA-N 432.980 6.005 30 10 IKEE Cc1cc(Cl)ccc1N(Cc1cccc(C#N)c1)S(=O)(=O)c1cccc(Cl)c1 586221398 MYURJZRURFHFJY-UHFFFAOYSA-N 431.344 5.569 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 698828585 BDPIOWUMPQQNLC-JPYJTQIMSA-N 449.979 5.763 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@](C)(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 698900724 MTVBQWHKWYISNS-JTSKRJEESA-N 435.590 5.167 30 10 IKEE C=CCCCCC[C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 705475186 JRMXGJNKEIPDHP-YFNKSVMNSA-N 432.649 5.990 30 10 IKEE CC[C@](C#N)(CC1CCCCC1)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 720366809 JUHHWLBAASYFJV-JOCHJYFZSA-N 435.406 6.833 30 10 IKEE O=C(NCc1ccco1)c1c(N=Cc2cc3c(cc2Cl)OCO3)sc2c1CCCC2 1084401245 FJIPJVVYUPQDGD-UHFFFAOYSA-N 442.924 5.283 30 10 IKEE Cc1nn(C(C)C)c(C)c1C=NNc1nc(SCc2ccc(C(C)(C)C)cc2)n[nH]1 1084482611 WMHXOJAUVJGOFG-UHFFFAOYSA-N 425.606 5.235 30 10 IKEE Cc1c(CO/N=C(\C[S@@](C)=O)c2ccc3ccccc3c2)cccc1-c1ccccc1 1088695731 OYHKPVVMXCPYKY-NAUNLNSASA-N 427.569 6.115 30 10 IKEE CCOc1ccc(/C=C2\SC(=Nc3ccccn3)N(C3CCCCC3)C2=O)cc1OC 1772732165 UVINSXYRVNYRLD-YKXMXDARSA-N 437.565 5.426 30 10 IKEE O=C1/C(=C/C=C/c2ccccc2)SC(=NN=C/C=C/c2ccccc2)N1Cc1ccco1 1772758717 CBOKNSSSMLRPNE-OTMMVAIFSA-N 439.540 6.008 30 10 IKEE CCCCCCn1c2ccccc2c2nnc(NN=Cc3ccc(OCC)c(OC)c3)nc21 1772765209 YKBIZSWAANPJQL-UHFFFAOYSA-N 446.555 5.413 30 10 IKEE Cc1ccc(-n2cc(/C=N\NC(=S)Nc3ccccc3)c(-c3ccc(Cl)cc3)n2)cc1 1857811795 DRGHXTCQVZVSBR-YSMPRRRNSA-N 445.979 5.822 30 10 IKEE Cc1ccc(Cn2nc(C(=O)Nc3ccccc3C#N)c(Cl)c2-c2ccc(F)cc2)cc1 1859385188 WFKQZRPZZLDWQM-UHFFFAOYSA-N 444.897 5.823 30 10 IKEE O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2oc(C(F)(F)F)nc2c1 1860398389 ATFCBDNAVSMTFT-UHFFFAOYSA-N 442.237 6.137 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCC)NC(=O)/C=C/c1ccc(Cl)c(Cl)c1 1861568339 SYLAVIWEMCSDNO-CMQXMCPJSA-N 427.416 5.768 30 10 IKEE CCCCCCCCNC(=O)[C@@H](NC(=O)c1cccc(OCC(C)C)c1)c1ccccc1 1861757400 FGHQUHOZBBELPD-VWLOTQADSA-N 438.612 5.669 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@H]1c1ccccc1C 1862390216 YFJVYNFVUQLPDB-RUZDIDTESA-N 433.592 6.496 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccccc1F 1862443975 VCDMHFMUHZMDOI-XMSQKQJNSA-N 443.946 6.416 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccccc2[N+](=O)[O-])c1 1862492190 LLUVQPOSSBXJLO-WGGBDISSSA-N 448.519 5.369 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccccc1C 1862506824 BCBXYWAQDNDRCT-QHCPKHFHSA-N 439.527 5.228 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCOc2ccccc2)cc1 1862508170 YHIUQKYDBLKQCK-DEOSSOPVSA-N 445.490 5.100 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(Cl)cc1Cl 1862552683 BKLAQECRBWVCRC-OAQYLSRUSA-N 444.358 5.859 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(C(C)C)cc1 1862584158 QUDSTKBORFXYLX-SPLOXXLWSA-N 446.374 6.494 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(C(C)(C)C)cc1 1862610470 LZYCBACHZWOMPW-HJPURHCSSA-N 449.547 5.132 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1Cl 1862675075 AZUUEZNDCKFIDJ-GCJKJVERSA-N 443.946 6.416 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2c(F)cccc2Cl)cc1 1862692271 INPNOPIWQZCVLO-OAQYLSRUSA-N 443.902 5.399 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2C2CCCCC2)cc1 1862758250 ZSYMWMSLMWJXEO-QHCPKHFHSA-N 448.519 5.629 30 10 IKEE Cc1cc(C2=C(Nc3ccc(Cl)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)ccc1F 1863094672 FVJXVDGRQZBUOG-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCc2ccccc2)=C(c2ccc(F)cc2)C1=O 1863508028 RAGDHLVYORMFPP-UHFFFAOYSA-N 436.571 5.489 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(C)c(C)c2)C(=O)N(Cc2ccccc2)C1=O 1863603162 WVSFCDRPQKTQNY-UHFFFAOYSA-N 446.635 6.314 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCOC(C)C)=C(c2ccc(C)cc2)C1=O 1863619624 FCNXONMSPASONV-UHFFFAOYSA-N 442.644 5.620 30 10 IKEE CCCCCCCCCCNC1=C(c2cc(C)ccc2C)C(=O)N(C[C@@H]2CCCO2)C1=O 1863733802 GMCFZNSWGBWWEP-QFIPXVFZSA-N 440.628 5.293 30 10 IKEE CCCCCCCCCCCC(=O)Nc1c(C(=O)OCC)c(C)nn1-c1cccc(F)c1 1865986293 XCJJHOFCVKXCLR-UHFFFAOYSA-N 445.579 6.356 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)NCCc1nc2ccccc2[nH]1 1866030011 UIBXVRAOHAQCAN-UHFFFAOYSA-N 427.677 7.483 30 10 IKEE CC(C)(C(=O)Nc1c(Br)cc(C#N)cc1Br)c1ccccc1F 1866206459 DTBLLYWUTCVEJL-UHFFFAOYSA-N 440.110 5.139 30 10 IKEE COc1ccc2c(c1)[C@@H](c1ccccc1)N(c1cc(Nc3cccc(C#N)c3)nc(C)n1)CC2 1868467074 NOFSGOSIIOWHIB-MUUNZHRXSA-N 447.542 5.561 30 10 IKEE C=CCn1cc(OCCCCCCC)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870251766 URSOAKORGDNEHZ-UHFFFAOYSA-N 439.625 5.868 30 10 IKEE CCCCCCCCn1cc(OCCCCOc2ccccc2)c(=O)cc1CN(C)C 1870318004 NPRZTWOPHGJLKP-UHFFFAOYSA-N 428.617 5.508 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(O)cc2)c(CN(CCC)CCCC)cc1=O 1870416663 JHPQVWFURLKPFR-UHFFFAOYSA-N 442.644 5.964 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(C)cc2)cn1Cc1ccccc1C 1870770720 WPHYQMNINKTKRG-UHFFFAOYSA-N 428.576 5.266 30 10 IKEE C=CCn1cc(OCc2cccc(Cl)c2)c(=O)cc1CNc1ccc(N2CCCC2)cc1 1870827100 GRKZHHAQAZSZCQ-UHFFFAOYSA-N 449.982 5.479 30 10 IKEE CCCCCCCOc1cn(CCCOCC)c(CNc2ccc(C(C)C)cc2)cc1=O 1870830199 HPVLITOJCOOGJW-UHFFFAOYSA-N 442.644 6.360 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)cc2)c(=O)cc1CNc1cccc([N+](=O)[O-])c1C 1870861585 KBXPYPKLRWHBCC-UHFFFAOYSA-N 439.899 5.095 30 10 IKEE CCCCCCCCn1cc(OCCOC(C)C)c(=O)cc1CNc1ccccc1C 1870986781 LLWXTNAJGMDRNR-UHFFFAOYSA-N 428.617 5.933 30 10 IKEE Cc1ccccc1NCc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCCOC(C)C 1871253902 LQABNONNJQYWMV-UHFFFAOYSA-N 445.563 5.035 30 10 IKEE CCCCCCCCCCN=c1nc2c(cnn2C)c(Nc2c(Cl)cccc2Cl)[nH]1 1871298613 CXXBNDVKBDUFNE-UHFFFAOYSA-N 449.430 6.388 30 10 IKEE Cc1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)cc1 1871366754 KKVCMYFFCNSXFU-BESOIZRISA-N 441.439 5.447 30 10 IKEE Cc1cc(OC(=O)CCCOc2ccccc2)cc2c1C(=O)/C(=C/C=C/c1ccccc1)O2 1871371609 ZJLULJYGBSMFBB-SXZFCOTPSA-N 440.495 5.932 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OC(=O)/C(Cl)=C/c3ccccc3)cc(C)c2C1=O 1871377684 YOUFCZPKDCNXOA-GOIUUMNHSA-N 430.887 6.105 30 10 IKEE Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)c(C)c1 1871403342 VUBSLDYPCIHQTG-WTZXFZKGSA-N 445.490 5.773 30 10 IKEE Cc1c(OC(c2ccccc2)c2ccccc2)ccc2c1O/C(=C\c1ccccc1F)C2=O 1871431291 NDCVQRMBSDDYOA-ITYLOYPMSA-N 436.482 6.919 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4C(C)C)cc(C)c3C2=O)o1 1871456260 VIWNVOUFDLOPEH-FMCGGJTJSA-N 431.488 5.654 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(CC)cc2)[nH]c(N(CCC)CCCC)n1 1871585583 HXIOYJBRXGSTRZ-UHFFFAOYSA-N 440.680 6.388 30 10 IKEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1ccc(Cl)cc1 1871816432 FYOKXVKLHRORTE-GOSISDBHSA-N 449.016 5.277 30 10 IKEE CCCCCCCCCCNC(=O)Cc1nonc1OCCCOc1cccc(C)c1 1872648703 PGTKMJSWUOTSBL-UHFFFAOYSA-N 431.577 5.025 30 10 IKEE N#C[C@@H](C(=O)c1cc([N+](=O)[O-])ccc1Cl)c1nc(-c2ccc3ccccc3c2)cs1 1872760652 UPNGMPPZNVPRJP-SFHVURJKSA-N 433.876 6.015 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)COc3c(C)ccc(C)c3C)n2)cc1 1872765402 OBWDZWWAMRVHPS-QFIPXVFZSA-N 432.589 6.333 30 10 IKEE N#C[C@H](C(=O)c1ccc(-c2ccccc2)cc1)c1nc(-c2cccc3ccccc23)cs1 1872775577 URKRRXAHAJZFQE-RUZDIDTESA-N 430.532 7.120 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4ccccc4)cc3)n2)c(C)c1C 1872778732 SCMVINCSMPQDOQ-QHCPKHFHSA-N 438.552 6.593 30 10 IKEE C=CCOc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)s2)cs1 1872789489 KLZOMYPAIBFERY-ZDUSSCGKSA-N 430.938 5.345 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccc2cc[nH]c2c1 1873500699 JAQRMYPLXRPYPY-BRJLIKDPSA-N 444.391 6.193 30 10 IKEE CCCCCCCCN1CC(=O)C(c2nc(-c3ccc(OCC)cc3)c(C)s2)=C1N 1873528272 OUSHZGRXZRIQMP-UHFFFAOYSA-N 427.614 5.390 30 10 IKEE C=CCOc1ccccc1OCC(=O)Nc1ccc2c(ccn2Cc2ccc(Cl)cc2)c1 1873696906 WBBSGFIDATUYER-UHFFFAOYSA-N 446.934 5.925 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(CCCOc2ccc(C)cc2)nnc1SC 1874250486 GXJUAZNFJRNSFN-YZSQISJMSA-N 446.576 5.364 30 10 IKEE C=C(C)CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1c(F)cccc1Cl 1874297237 QQXGNILIMJHKLL-FOKLQQMPSA-N 445.907 5.120 30 10 IKEE Cc1ccccc1CCc1nnc(SCCCO)n1/N=C/c1ccc(C(C)(C)C)cc1 1874363558 LEHYBLLKBALGLK-NLRVBDNBSA-N 436.625 5.026 30 10 IKEE Cc1cccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccccc2C(=O)O)c1 1874406325 GRJLDPNQDXHUND-WGOQTCKBSA-N 448.592 5.582 30 10 IKEE Cc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCc2ccc(Cl)cc2)cc1 1874413998 WPPRVPMFBDCCJJ-ZVHZXABRSA-N 439.009 6.067 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(CC(C)(C)C)n2/N=C/c2cccs2)c1 1874437837 WADOWVYVTJEWOW-YDZHTSKRSA-N 441.626 5.158 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(C(C)(C)C)n2/N=C/c2ccc(Cl)cc2)o1 1874481790 NYQBSDGBQHPMFF-FSJBWODESA-N 446.960 5.173 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(C)(C)C)n2/N=C/c2ccccc2OC(C)C)c1 1874484327 QCUVCKYTOGGBBY-CVKSISIWSA-N 436.625 6.154 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(CC(C)C)nnc1SCc1cccc(F)c1 1874489124 AYBGWNVOPKTDJN-JFLMPSFJSA-N 448.567 5.952 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2ccc(Cl)c(Cl)c2)nnc1C1CCC1 1874497541 OJQYOAQDMCKMNC-WYMPLXKRSA-N 447.391 6.036 30 10 IKEE Cc1nnc(SCc2cccc3ccccc23)n1/N=C/c1cccc(Br)c1 1874532907 IDVLJISJSWMANI-YDZHTSKRSA-N 437.366 5.677 30 10 IKEE Oc1ccc2ccccc2c1/C=N/n1c(S)nnc1COc1cc(Cl)ccc1Cl 1874570491 VDJZVLSCEVZCLD-AUEPDCJTSA-N 445.331 5.194 30 10 IKEE CCc1ccccc1NC(=O)COc1c(/C=C/C(=O)c2ccc(C)c(C)c2)cccc1OC 1874587867 ISYRMMFXHMWHRZ-FOCLMDBBSA-N 443.543 5.788 30 10 IKEE O=C(COc1cccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c1)NCc1ccccc1 1874592840 FCZBTUINGRQONY-XMHGGMMESA-N 447.534 5.945 30 10 IKEE CCCOc1c(OC)ccc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)c1Br 1874600094 SODZDNUQFGCSTE-VMPITWQZSA-N 439.733 5.805 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc(/C=C/C(=O)c3ccc4ccccc4c3)cc2)c1 1874602232 AROVZUFPTNSLJX-LFIBNONCSA-N 435.523 6.370 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(Cl)c1OCc1cccc(C)c1 1874605292 VCRULXMWJUDFCN-SDNWHVSQSA-N 434.963 7.085 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Cl)c1OCc1ccccc1F 1874612197 HTIGYYIVASEWQN-MDZDMXLPSA-N 431.290 6.616 30 10 IKEE CCN(CC)C(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OC 1874613125 DJYUEHIGXZRSQF-IZZDOVSWSA-N 436.335 5.145 30 10 IKEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1Br 1874613408 SGBUFTWFFGZWRN-YCRREMRBSA-N 437.717 5.331 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccccc2)cc1Br)NC1CCCCC1 1874614441 GWIVHCBDSLTFCX-ACCUITESSA-N 442.353 5.173 30 10 IKEE Cc1ccc(COc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2Br)cc1 1874617926 AFNRUQDXSUXUEK-ZRDIBKRKSA-N 435.361 6.849 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCCc3ccccc3)c([N+](=O)[O-])c2)cc1C 1874636436 AGZYGOVGXQYMEZ-PKNBQFBNSA-N 431.488 5.738 30 10 IKEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] 1874637902 XQNOIJJRTWNBGC-XVNBXDOJSA-N 438.263 5.130 30 10 IKEE O=C(COCc1ccccc1)Oc1cccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c1 1874693320 ZGHLQEJLSRSLBI-XMHGGMMESA-N 448.518 6.372 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCc3ccc(Cl)cc3)c2)cc1C 1874696041 FXQHJKANXTYLMV-MDWZMJQESA-N 434.919 6.091 30 10 IKEE O=C(COc1ccc(Cl)cc1)Oc1cccc(/C=C/C(=O)c2ccccc2Cl)c1 1874696356 AGAUWPLKYAFXSF-MDWZMJQESA-N 427.283 5.874 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1OC(=O)Cc1ccc(C)cc1 1874704151 YYXKDGWZPSBARU-ZRDIBKRKSA-N 430.500 5.365 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OC(=O)c1cc2ccccc2n1C 1874704167 ZUSJXJJQAUTDMS-XYOKQWHBSA-N 443.474 5.750 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1 1874704172 AAWYJWXJUIMUDK-JXMROGBWSA-N 441.310 6.426 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1OC(=O)Cc1cccs1 1874716527 WMXTVRCGKGFOMF-FMIVXFBMSA-N 448.584 6.407 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1ccc(C)c(C)c1 1875098730 JIYATWBIMFTUFL-NTEUORMPSA-N 440.539 6.306 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3Cl)cc2)cc1 1875104205 LNBZBHRDXDDPQN-YIXHJXPBSA-N 427.283 6.117 30 10 IKEE O=C(Cc1ccc(F)cc1F)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1Cl 1875126260 XJFFQTZZFPYJHH-XLUWADSXSA-N 447.264 6.316 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1Br 1875134979 UAJXDMUBBRJXIQ-JLHYYAGUSA-N 443.381 6.838 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)c1 1875138058 NHKBBNVWHSTVNU-JXMROGBWSA-N 428.572 6.711 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)Cc1cc(C)ccc1C 1875140041 NCGNFOHUZHGEQP-ZRDIBKRKSA-N 428.528 5.973 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1Cl 1875148676 SMWZJRVDRFJCDY-OQLLNIDSSA-N 448.946 6.761 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)ccc1OC(=O)Cc1cccs1 1875152058 KOLAAQQFVWDKJB-RMKNXTFCSA-N 440.492 5.339 30 10 IKEE COCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC 1875163530 PHUKVEZOEQAXIW-BQYQJAHWSA-N 446.927 5.237 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)ccc1OC(=O)C1CCCC1 1875180293 QGVBJYCXPWQGEH-PKNBQFBNSA-N 442.939 6.047 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1cccc(OC)c1 1875183843 VYEFUNZBMQANNB-ZRDIBKRKSA-N 444.527 6.134 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)CC1CCCCC1 1875190219 FTCCOMXFJCQQAL-YRNVUSSQSA-N 447.358 6.774 30 10 IKEE O=C(C1=Cc2ccccc2C1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875646156 KKZCRSZJEBEVHC-UHFFFAOYSA-N 432.519 6.667 30 10 IKEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 1891375747 ROTOMTGIOXWTIL-UHFFFAOYSA-N 446.454 5.149 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)C1 2005382928 RCAHYLQWBJPQCO-QHCPKHFHSA-N 449.979 5.765 30 10 IKEE C=C1CC(C[C@@H](NCC)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)C1 2011042204 RTFCZLHRPSTHQF-ZEQKJWHPSA-N 428.617 5.165 30 10 IKEE Cc1cc(Br)sc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2039290462 TYDLLUWDSNKAAS-AWEZNQCLSA-N 425.323 5.965 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OCc3cccc(C(F)(F)F)c3)c(OC)c2)c1 2040455496 ZRDASQLSBOLURY-UHFFFAOYSA-N 442.433 6.198 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)C2(C#N)[C@@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1 2042148501 MEYQGETXLFAHSS-OALUTQOASA-N 443.588 5.522 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C12CCC2 2053045175 SFCFIBONHNGTNY-CJAUYULYSA-N 447.620 5.533 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccccc1)c1cccc(Br)c1 2072715354 FIQRXKLFCJWJNQ-FQEVSTJZSA-N 440.337 5.360 30 10 IKEE NC(=O)c1c(C(F)(F)F)nn([C@H](c2ccc(C(F)(F)F)c(F)c2)C2CCC2)c1Cl 2080051565 ANPFOEOADRCYBU-LBPRGKRZSA-N 443.750 5.202 30 10 IKEE Cc1cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)sc1Br 2082335031 BRIHJLVCMGFKHD-AWEZNQCLSA-N 441.778 6.479 30 10 IKEE N#C[C@@H](C(=O)CSCc1ccccc1)c1nc(-c2ccccc2)c(-c2ccccc2)s1 2084272947 AYVPQVVDCWNHSZ-QFIPXVFZSA-N 440.593 6.587 30 10 IKEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1cccc(Br)c1Cl 2124445385 RICCZEDCIRGOQD-CQSZACIVSA-N 444.757 5.018 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](Cc2ccc(Cl)c(Br)c2)NC)C1 2126687804 VKMHJXLYKLWTLX-KRWDZBQOSA-N 443.813 5.094 30 10 IKEE COc1ccc(C)cc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2157900873 RTRWRWUSVPGXQE-SFHVURJKSA-N 431.330 5.773 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](CNc2cc(Br)ccc2C#N)(C(C)(C)C)C1 2162292126 VCWDSYCKASPIIM-NRFANRHFSA-N 436.394 5.406 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H](CNc2ccc(C#N)cc2Br)C1 2162334952 SGTKNHDEMPHICA-INIZCTEOSA-N 434.378 5.160 30 10 IKEE CC(C)(C)OC(=O)N1Cc2ccccc2CN1c1ccc(C#N)c(Br)c1F 2174767713 MTUHIFCJWHCKHS-UHFFFAOYSA-N 432.293 5.132 30 10 IKEE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@H](CNc2ccc(C#N)cc2Br)CC1 2178646642 UHMJQSGSRYYEJZ-OYOVHJISSA-N 440.357 5.156 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Cl)c(Cl)cc1Cl 2201286846 ACKYXFONOGNKPI-ZWKOTPCHSA-N 433.807 5.994 30 10 IKEE C=CCCCCC[C@H](N)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229138809 SQWHFEDYHGRAAA-RBUKOAKNSA-N 425.411 5.349 30 10 IKEE N#C[C@H](C(=O)c1csc(Br)c1Br)c1ccc(F)c(Cl)c1 2233389709 UINLVUQXXTVYBK-ZETCQYMHSA-N 437.515 5.556 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H](C(=O)C#Cc1ccccc1Br)C1CCCCC1 2235716960 IDRUVKMCEWGRSR-GOSISDBHSA-N 434.374 5.091 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)[C@@H](CC(C)(C)C)NC(=O)OC(C)(C)C 2235734205 WFKHBJPRBBVZLM-RBUKOAKNSA-N 437.422 5.108 30 10 IKEE Cc1ccc(C)c(-c2csc(NC(=O)C=Cc3ccc(Br)cc3)c2C#N)c1 2295532765 JBUKEJILUJRXRX-UHFFFAOYSA-N 437.362 6.318 30 10 IKEE Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1Cl 2296323483 GRDAQYUSBOMGDQ-NRFANRHFSA-N 438.310 5.928 30 10 IKEE Cc1ccc(CN2c3ccccc3C(=O)C(=CNc3ccc(Cl)cc3)S2(=O)=O)cc1 2296989359 LYIWTAALJKVTCE-UHFFFAOYSA-N 438.936 5.135 30 10 IKEE COc1ccc2c(c1)N(C)C(=C1SC(=Nc3ccccc3)N(c3ccccc3)C1=O)S2 2297604715 LRTLXHFKGLXMSR-UHFFFAOYSA-N 445.569 5.874 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CC[C@H](C)CC1 2300363431 KSYORRLTKAYEPK-ROSOWXQZSA-N 430.633 5.601 30 10 IKEE O=C1C(=Cc2ccccc2Cl)Oc2cc(OCc3c(Cl)cccc3Cl)ccc21 2314438271 NBMYSXUJGRAWAT-UHFFFAOYSA-N 431.702 6.842 30 10 IKEE CCN1C(=O)C(=Cc2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)SC1=Nc1nccs1 2314542097 GZZVYTONUWXZFF-UHFFFAOYSA-N 440.506 5.244 30 10 IKEE C=CCN1C(=O)C(=C(C)c2cccc(N)c2)SC1=Nc1nc(-c2ccccc2)cs1 2314543404 CNXWCPNBYZJOSC-UHFFFAOYSA-N 432.574 5.572 30 10 IKEE CN(C)c1ccc(C=C2SC(=Nc3cccc(C(=O)O)c3)N(C3CCCCC3)C2=O)cc1 2314547088 CTUPRIGJQDVAQJ-UHFFFAOYSA-N 449.576 5.388 30 10 IKEE CSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1N=Cc1cccc(F)c1 2321392495 SSQSAYSZXOFDGM-UHFFFAOYSA-N 432.952 5.303 30 10 IKEE CCCCCCCCCOc1ccc(C=Nn2c(S)nnc2C2CCCC2)cc1Cl 2321928159 RNLRPWJREOIZAN-UHFFFAOYSA-N 449.064 6.889 30 10 IKEE Cc1ccccc1COc1ccc(C=Nn2c(S)nnc2Cc2ccc(F)cc2)cc1 2321979049 WPKIKXNUEXJSIF-UHFFFAOYSA-N 432.524 5.066 30 10 IKEE Cc1ccc(OCc2nnc(S)n2N=Cc2cccc(OCc3ccccc3)c2)cc1C 2322056844 YMNNZDJPLGJKPM-UHFFFAOYSA-N 444.560 5.224 30 10 IKEE CCCCC[C@@H](CC)N1COc2ccc3c(c2C1)OC(=Cc1ccc(N(C)C)cc1)C3=O 2322071776 LHYIOKNJMIBHIK-HXUWFJFHSA-N 434.580 5.880 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(Cl)cc2)c1OCc1ccc(F)cc1 2322532121 LZUOPHWPYFNKTR-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE Cc1c(OC(=O)c2ccccc2F)ccc2c1OC(=Cc1c(Cl)cccc1Cl)C2=O 2322795185 HEBLIDPYRIDZPL-UHFFFAOYSA-N 443.257 6.276 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2c(C)cccc2C)cc1C 2322899793 SLJKQOSMSXBMNX-UHFFFAOYSA-N 447.962 6.487 30 10 IKEE Cc1ccc(NN=Cc2cc(Br)c(O)c(Br)c2O)cc1Cl 2322969438 MYSSLMZZSUNJFV-UHFFFAOYSA-N 434.515 5.031 30 10 IKEE COc1cccc(C=CC(=O)c2cc(Cl)ccc2Cl)c1OCc1cccc(F)c1 2323009398 CGKSIBWFDRUNAK-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE CCOc1cc(C=NNC(=S)Nc2ccccc2)ccc1OCc1cccc(Cl)c1 2323047436 LBDDYNVINWKTCW-UHFFFAOYSA-N 439.968 5.638 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OCc1c(Cl)cccc1Cl 2323138677 CQHVKSPRFHOCAH-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OCC(=O)Nc1ccc(F)cc1 2323169019 WPOAXWHWNYOCKU-UHFFFAOYSA-N 437.442 5.195 30 10 IKEE Cc1c(OC(=O)c2c(F)cccc2Cl)ccc2c1OC(=Cc1cccc(F)c1)C2=O 2323354446 BYAXIJKNNYLOFI-UHFFFAOYSA-N 426.802 5.762 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)Cc4ccc(OC)c(OC)c4)ccc3C2=O)cc1 2323375417 RZSQVQZBOQJJIP-UHFFFAOYSA-N 444.483 5.031 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)C=Cc4cccc([N+](=O)[O-])c4)ccc3C2=O)cc1 2323433421 JFNYGXDSAQNFRZ-UHFFFAOYSA-N 427.412 5.138 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)cc([N+](=O)[O-])c1OCc1ccccc1C 2323480175 OZSKXNNFWATWJT-UHFFFAOYSA-N 445.515 6.339 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(OC)c2)c1 2323511176 AENKGCCFDHNTFG-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE O=C(C=Cc1cccs1)Oc1ccc2c(c1)OC(=Cc1c(Cl)cccc1Cl)C2=O 2323517776 PAWKYOKCWFCQKN-UHFFFAOYSA-N 443.307 6.290 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(=O)c4cccc(OCC(C)C)c4)ccc3C2=O)c1 2323579797 ZWFDBGCARHMAMC-UHFFFAOYSA-N 444.483 5.565 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)ccc1OCc1ccc(Cl)cc1 2323620041 LFNIAMCNKGVJRG-UHFFFAOYSA-N 427.327 6.867 30 10 IKEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2Cl)o1 2323675718 KRCIHYNDWJSMMY-UHFFFAOYSA-N 441.823 5.103 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)cc(OC)c1OCc1cccc(F)c1 2323720401 ROUSTWJDCLGZJY-UHFFFAOYSA-N 428.406 5.596 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc3ccccc23)c(Cl)c1)c1ccc(F)cc1F 2323720669 UWTQPZRYSNEIIL-UHFFFAOYSA-N 434.869 7.247 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Br)c1OCCCO 2323795928 HFAJMCFFRTVLNW-UHFFFAOYSA-N 439.733 5.159 30 10 IKEE C=CCOc1c(Br)cc(C=CC(=O)c2cc(OC)ccc2OC)cc1OCC 2324029739 KBVNCPFZDYHOHS-UHFFFAOYSA-N 447.325 5.326 30 10 IKEE COc1ccc(C=C2Oc3c(CN4C[C@@]5(C)C[C@H]4CC(C)(C)C5)c(O)cc(C)c3C2=O)cc1 2324097686 WBGWZWXGRLHBEZ-GDJIYFAZSA-N 447.575 5.726 30 10 IKEE Cc1c(O[C@@H](C)C(=O)Nc2ccc(F)cc2)ccc2c1OC(=CC=Cc1ccccc1)C2=O 2324319367 YVUUQWVUYJFNPS-SFHVURJKSA-N 443.474 5.713 30 10 IKEE N#C[C@H](C(=O)C=Cc1ccc(Cl)c(Cl)c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2324339144 HFJFESYXVFYULT-OAHLLOKOSA-N 444.299 5.915 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3Cl)c(Cl)c2)c(OC)c1 2324472358 FRHQAOHBIHTJMV-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE COc1ccc(C=C2Oc3cc(OCCCOc4ccc(C)cc4)cc(C)c3C2=O)cc1 2324545280 JENOOTOFGACIMW-UHFFFAOYSA-N 430.500 5.776 30 10 IKEE C[C@@H](Oc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O)C(=O)Nc1ccc(Cl)cc1 2324609812 OEMYGSCEZNGTFI-CQSZACIVSA-N 437.854 5.501 30 10 IKEE O=C1C(=Cc2cccc(F)c2)Oc2cc(OCCOc3cccc4ccccc34)ccc21 2324693806 ZLXZXKFEIIHENN-UHFFFAOYSA-N 426.443 6.053 30 10 IKEE COc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1 2324781154 FYJZBIGXVDTWHB-LJQANCHMSA-N 438.936 5.679 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(Cl)cc3)n2)c2ccccc12 2324840865 MQOCOSNSSOBABT-NRFANRHFSA-N 444.943 6.515 30 10 IKEE CCCCCCOC(=O)COc1ccc2c(c1C)OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2325031452 FNEFXOMJSHQRNA-UHFFFAOYSA-N 439.464 5.022 30 10 IKEE CCc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4c(C)cccc4C)ccc3C2=O)cc1 2325141864 FQGYGSZHFWVMEF-IBGZPJMESA-N 441.527 5.888 30 10 IKEE C=CCOc1ccccc1C=Nn1c(Cc2ccc(Cl)cc2)nnc1SCCC 2325424744 XOEHYDVJRJRZLH-UHFFFAOYSA-N 426.973 5.471 30 10 IKEE COc1ccc(C)cc1NC(=O)CCOc1cc(C)c2c(c1)OC(=Cc1cccs1)C2=O 2325471265 RGAIPDHQZITBIN-UHFFFAOYSA-N 449.528 5.397 30 10 IKEE CCCOc1cccc(C=CC(=O)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)c1 2325669228 YBVPWHNSVGDQGF-UHFFFAOYSA-N 449.934 5.929 30 10 IKEE Cc1cc(C(=O)C=Cc2cccc(OC(=O)c3ccc4cc(Cl)ccc4n3)c2)ccc1F 2325742154 OPLCAKQVSPUNCS-UHFFFAOYSA-N 445.877 6.451 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OC(=O)c2ccc(C(C)(C)C)cc2)c1 2325743479 FVKIJFHSJRJYPG-UHFFFAOYSA-N 428.528 6.416 30 10 IKEE COc1cccc(C(=O)Oc2cc(C=CC(=O)c3ccc(OC)c(C)c3C)ccc2OC)c1 2325755084 SMNLSSIVTSDHMU-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE CCc1ccccc1OCC(=O)Oc1cccc(C=CC(=O)c2cc(C)c(OC)cc2C)c1 2325771317 GFTNMOYRTPYMFZ-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE CCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1N=Cc1ccccc1F 2325844168 OGXFGOXFOQKGHA-UHFFFAOYSA-N 440.588 5.721 30 10 IKEE CC(C)(C)c1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2cccs2)cc1 2326341862 JPEHWJKNTVWENQ-UHFFFAOYSA-N 446.645 6.402 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1cccc(OC)c1OCC 2326414280 BAYOHSBNHVKQLF-UHFFFAOYSA-N 438.597 5.429 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccc(C)cc1 2326524858 NHLPULYZAUHCNQ-UHFFFAOYSA-N 426.973 5.678 30 10 IKEE C(=Nn1c(CCc2cccc3ccccc23)nnc1SCc1ccccc1)c1ccc[nH]1 2326592249 GSPUEFPLZPPISM-UHFFFAOYSA-N 437.572 5.719 30 10 IKEE CCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1cccc2ccccc12 2326991996 CMKZVEFMICFARG-UHFFFAOYSA-N 430.577 5.746 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1cccc(OCC)c1 2328179506 RYGVXFKTCSEBLV-UHFFFAOYSA-N 426.630 6.301 30 10 IKEE C=CCSc1nnc(CCc2ccccc2OC)n1N=Cc1ccc(C(F)(F)F)cc1 2328698226 ZEBSTKNWEORHLM-UHFFFAOYSA-N 446.498 5.251 30 10 IKEE CCCCOc1ccc(C=Nn2c(Cc3ccc(C)c(C)c3)nnc2SC)cc1OC 2329381378 YOHYEUSMWWRTMP-UHFFFAOYSA-N 438.597 5.277 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3F)n2N=Cc2ccccn2)cc1C 2329423825 BEKJGUBXKDPJOG-UHFFFAOYSA-N 431.540 5.194 30 10 IKEE Fc1ccc(CSc2nnc(CCc3cccs3)n2N=Cc2cccs2)cc1 2329637014 AJESPEGSHZKWRD-UHFFFAOYSA-N 428.583 5.500 30 10 IKEE Cc1ccccc1CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1sccc1C 2330057064 AUBRHYBRAWWFAQ-LJQANCHMSA-N 432.618 6.283 30 10 IKEE CC(C)c1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccccc2)cc1 2330194070 QBDTWDSDCPLTHP-UHFFFAOYSA-N 440.616 6.361 30 10 IKEE CCOc1cccc(C=Nn2c(CC3CCCCC3)nnc2SCCc2ccccc2)c1 2330275942 DYSKDRVWPKECGE-UHFFFAOYSA-N 448.636 6.017 30 10 IKEE Cc1ccsc1C=Nn1c(CC2CCCCC2)nnc1SCc1ccc(Cl)cc1 2330283211 PYDULIYWZNXEBV-UHFFFAOYSA-N 445.057 6.599 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3ccc(C)cc3)nnc2-c2cccs2)c1 2330530524 XZNBKJWPXDLDKH-UHFFFAOYSA-N 434.590 5.888 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)CC1CCCCC1 2330694309 QGQUWIBNHDZOOF-UHFFFAOYSA-N 446.587 6.736 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)cc2)c1 2330775754 GHSRZGYKOJSJFQ-HXUWFJFHSA-N 444.527 6.088 30 10 IKEE C[C@H](C(=O)Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1[N+](=O)[O-])c1ccccc1 2330933850 AUIKAWZQFWLZSG-INIZCTEOSA-N 435.863 5.853 30 10 IKEE Cc1ccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2[C@@H]2CCCO2)cc1 2331002057 ALECZTJVHMKLQV-IBGZPJMESA-N 447.391 5.919 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)c1ccc(N(C)C)cc1 2331077862 CZWVHYOPRJPDLR-UHFFFAOYSA-N 445.515 5.275 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3)cc2Cl)cc1 2331266177 VJROOQLEIZZROQ-UHFFFAOYSA-N 448.946 6.618 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)cc(Cl)c1OC(=O)C1CCCC1 2331468696 OYORACCORNZLAI-UHFFFAOYSA-N 434.919 6.494 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2cc(Cl)c(OC)cc2OC)cc1OCC 2331701564 QXZAVUQQQBTMJR-UHFFFAOYSA-N 446.927 5.748 30 10 IKEE CCCCCCCC[C@H](O)Cc1ccc(I)c(Br)c1 2349847712 MAZFBZZQRCWYCR-AWEZNQCLSA-N 439.175 5.708 30 10 IKEE COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1Cl 20882080 XYBDGAASWJXWPE-WINIVTDRSA-N 444.962 6.637 30 10 IKEE N#Cc1ccc([C@H](O)c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)cc1 34557112 OMNGTIIUKIBRIQ-LJAQVGFWSA-N 441.534 5.677 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1cccc2ccccc12 40078313 FHDXEDGOPZFLDK-VWLOTQADSA-N 443.543 6.007 30 10 IKEE C=CCc1ccc(OCCCn2c(COc3cccc(C)c3)nc3ccccc32)c(OC)c1 40234139 MUBWPFONHGLJCM-UHFFFAOYSA-N 442.559 6.130 30 10 IKEE COc1ccc(-c2csc(N/N=C/c3cn(Cc4ccccc4)c4ccccc34)n2)cc1 40570757 DAWAHRZCEZXHQB-JFLMPSFJSA-N 438.556 6.268 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc3nc(-c4ccc(OC)cc4)oc3c2)c1 62050166 RHWNMSCGKZLBCK-UHFFFAOYSA-N 441.531 6.593 30 10 IKEE CCCCCCCCCCCCCCCCNC(=S)NC(=O)c1ccc(OCC)cc1 100127678 HLEJWSPQMKVBSL-UHFFFAOYSA-N 448.717 7.171 30 10 IKEE Cc1ccc(-n2c(-c3ccccc3)cc3c2CCC/C3=N\OCc2ccc(Cl)cc2)cc1 100137996 BYCZPNTYQSIVPT-URGPHPNLSA-N 440.974 7.363 30 10 IKEE Cc1ccc(/N=C2\C(=O)N(CN3CCC(Cc4ccccc4)CC3)c3ccccc32)cc1C 100816798 UFJYPVQGWGHXJA-HYOGKJQXSA-N 437.587 5.683 30 10 IKEE Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1/C(=N\Nc1ccccc1)CC(C)(C)C2 101108968 AOZVVDJZBKLVRH-MIXAMLLLSA-N 444.560 6.239 30 10 IKEE CCCCCCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccccc1Cl 101285123 JANBXKXHEXURSZ-HSZRJFAPSA-N 437.971 6.492 30 10 IKEE CCN1/C(=C2\CC/C(=C\C=C3\Sc4ccccc4N3CC)C2=O)Sc2ccccc21 101400107 IKXDZJWYHLIPJC-FPKFTGESSA-N 432.614 6.593 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(N(C)c2ccccc2)c1N 101531436 UYMYUVNAMOPHIA-UHFFFAOYSA-N 439.692 7.720 30 10 IKEE CCCCCCC[C@](O)(c1ccc(OCC)cc1)[C@@H](CN1CCOCC1)c1ccccc1 101662250 BDHOAVLJCSZZQQ-NSOVKSMOSA-N 439.640 5.749 30 10 IKEE COCCCN1C(=O)C(=O)/C(=C(\O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 102527984 IEELTGDAKUDOCY-AGGMBTAESA-N 441.955 5.096 30 10 IKEE Cc1sc(N/N=C\c2ccc(OCc3ccccc3)c(Cl)c2)nc1-c1cccs1 169941391 RNJSSANXKXLNOX-CFRMEGHHSA-N 439.993 6.858 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccc(Cl)cc2)c1 169969704 XOMZIVKAOFDFPR-HSZRJFAPSA-N 431.919 6.048 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2Cc2ccc(F)cc2)c1 169972298 RLQHBTDYQRUZIB-XMMPIXPASA-N 440.474 5.394 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2cccs2)ccc1F 169983916 ZNRHKDBGTUTOTA-LJQANCHMSA-N 429.419 5.257 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2cccs2)cc1 169984749 XEMVSWYOVBPVPA-FQEVSTJZSA-N 439.920 5.501 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccs2)cc1 169988639 NDUKVYDBJUPXLD-QFIPXVFZSA-N 445.496 5.281 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2ccccn2)c1 169994360 UQXVNFXFQONEQZ-JOCHJYFZSA-N 448.906 5.225 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(O)cc1 170135702 JPUIMARQQQUHQA-XMMPIXPASA-N 447.575 5.909 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1cccc(C)c1 170140647 VUPKYJXWEORZMZ-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1cccc(C)c1 170140988 REWTWRTWUBUCEF-XMMPIXPASA-N 427.500 5.403 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccc(C)c2)cc1Cl 170142792 WOVNBOCEARAKBA-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccccn1 170174522 YWSLPLDUEFXZOB-NRFANRHFSA-N 448.906 5.143 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccccc2)cc1C 170226027 BNUHXMGKXIIRBM-RUZDIDTESA-N 441.527 5.712 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(Cl)cc2)cc1C 170235515 IIZHTLZAQYNHHP-NRFANRHFSA-N 437.879 5.029 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(Cl)cc2)c1 170236929 KMSNVPZOXMRCBG-OAQYLSRUSA-N 425.912 5.260 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@H]1c1ccc(F)cc1 170243729 FARMKFONQGQNKH-HSZRJFAPSA-N 439.527 5.629 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCN(C)C)cc1 170244992 VDBBWMFAFFQCQT-RUZDIDTESA-N 442.559 5.103 30 10 IKEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(C4CCCC4)[C@H]3c3c[nH]c4ccccc34)ccc2O1 170256600 QGEHILPXZAMNGR-OWJWWREXSA-N 442.515 5.012 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccc(O)c2)cc1 170258543 YOZZSJBRPCIPGO-DEOSSOPVSA-N 443.499 5.272 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)C[C@H](C)O3)=C(O)C(=O)N1c1ccc(F)cc1 170271287 OQKRHYKPBBNYEO-UPCLLVRISA-N 443.474 5.240 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccco2)cc1 170291288 YOHDWAYUXOQYRO-DEOSSOPVSA-N 439.467 5.220 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C(F)(F)F)cc2)c1 170345168 AOYVPEQCFHDXLF-IBGZPJMESA-N 427.378 5.390 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(Br)cnn1C(C)C 407148345 KISIMNXKAIVDMW-IRXDYDNUSA-N 443.430 5.127 30 10 IKEE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@@H]1c1ccc(C)cc1 526491485 OFSIVOMPPKMQPZ-XMMPIXPASA-N 440.499 5.331 30 10 IKEE CC(C)COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccs2)cc1 526515305 HSUQSVHGBMRSPN-QHCPKHFHSA-N 430.529 5.712 30 10 IKEE CCCCCOc1ccc(/C=N\n2cnnc2SCc2ccccc2F)cc1OCC 526802652 KPPYVVUDIQXNSL-YSMPRRRNSA-N 442.560 5.559 30 10 IKEE CCCCCCOc1ccccc1C(=O)/C=N\n1cnnc1SCc1cccc(C)c1 526807779 BRMQUSJZGJJSSV-QQXSKIMKSA-N 436.581 5.555 30 10 IKEE CCCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1/N=C\c1ccc(CC)cc1 526831211 KAPFFPRITNFHFS-OYKKKHCWSA-N 440.569 5.126 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)NC2CCN(C(=O)Nc3cccc(C)c3)CC2)c1 585858696 DIFQXICRWDETET-UHFFFAOYSA-N 434.584 5.259 30 10 IKEE C#CCN(c1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccc(CCCCCC)cc1 586233117 JBCLHEJPWPQHPN-UHFFFAOYSA-N 438.637 5.628 30 10 IKEE C#CCCCCC[C@H](NCCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 686708783 CWIFGJWJOSBDOQ-FQEVSTJZSA-N 437.422 6.421 30 10 IKEE N#Cc1ccc(Nc2cc(Br)cc(Br)c2)c(Br)c1 690322763 SJZNPSLOGSWHQQ-UHFFFAOYSA-N 430.925 5.589 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)C[C@H]1C 698483884 LGKRZDXCANGFIC-KOSHJBKYSA-N 429.561 5.276 30 10 IKEE C[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698874067 MAKJKCMWGKLKCW-UUOWRZLLSA-N 435.609 5.628 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)CC1(C)C 710792516 GAHJCUHPBFSJPW-XMMPIXPASA-N 429.561 5.500 30 10 IKEE C=CCC1([C@H](Cc2sccc2Br)NCCC)CN(C(=O)OC(C)(C)C)C1 722920859 RLOANZXEKQXUEX-KRWDZBQOSA-N 443.451 5.235 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C1 724032780 NERYCQQFKMZKMV-WAIKUNEKSA-N 433.524 5.297 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 724090402 QXQXHVZHQDZMPR-MZNJEOGPSA-N 447.551 5.544 30 10 IKEE C=C1CCC(C[C@@H](NCC)c2cc(Br)ccc2I)CC1 724543766 HAVFPEWTEYOAJW-QGZVFWFLSA-N 448.186 5.841 30 10 IKEE COc1cc(C=NNP2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)ccc1O 885968805 NWWJNGHQHDPONI-UHFFFAOYSA-N 432.416 5.630 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)SC1=Nc1cccnc1 1772732071 SVDAVDMSJIDYNU-NYUHAYNDSA-N 434.477 5.182 30 10 IKEE C/C(=C1\SC(=Nc2ccncc2Cl)N(C2CCCCC2)C1=O)c1ccc(C)c(C)c1 1772734038 CGSIBTYXPWWBQT-PSQPYKGGSA-N 440.012 6.679 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(-c3ccccc3Cl)o2)SC1=Nc1nc(C)cs1 1772736280 SSFTUMKJAUQYOS-HJTUMBPSSA-N 429.954 5.989 30 10 IKEE Cc1c(C(=O)Nc2cccc3ncccc23)oc2c1C(=NNc1ccc(F)cc1)CCC2 1772751246 YRMJTCRFOLDSHZ-UHFFFAOYSA-N 428.467 5.680 30 10 IKEE O=C1/C(=C/C=C\c2ccccc2)SC(=NN=Cc2ccccc2O)N1Cc1ccco1 1772758006 WFGQLJVTJNJWQU-KKJUOIKFSA-N 429.501 5.048 30 10 IKEE CCCOc1ccc(CC(=O)Nc2cccc(C(=O)Nc3ccc(C#N)cc3)c2)cc1C 1859118878 PBJFZPNMPFQFOV-UHFFFAOYSA-N 427.504 5.089 30 10 IKEE Cc1ccc(-c2cc(C(=O)Nc3ccccc3C#N)nn2-c2ccc([N+](=O)[O-])cc2)cc1C 1859394915 KNYANPYLCNOFAL-UHFFFAOYSA-N 437.459 5.188 30 10 IKEE C=C(C)Cc1c(C)nn(CCC(=O)Nc2ccc3c(ccn3Cc3ccccc3)c2)c1C 1860304692 YEHISJCAZPWFDK-UHFFFAOYSA-N 426.564 5.650 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2cccc3ccccc23)n(-c2ccccc2Cl)n1 1862371200 LTOBMMMZORUIPO-UHFFFAOYSA-N 427.935 6.160 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1cccc(Cl)c1 1862380825 LYQFJFXEYCCLDD-SFHVURJKSA-N 438.738 6.025 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)c1 1862444057 WWNLEQGIQZLLJJ-HXOBKFHXSA-N 431.919 5.988 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2C2CCCC2)c1 1862459015 ACGWIRKLOXYRGF-OAQYLSRUSA-N 445.437 5.024 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccccc2F)c1 1862490570 YYFJTGVFGCTIAB-HSZRJFAPSA-N 433.454 5.360 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccccc2C(=O)O)c1 1862493813 YJACVANXXMQYRM-ODOSVJCGSA-N 447.531 5.159 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cccc(F)c1 1862501481 CZLJRGBGLIAEAZ-QFIPXVFZSA-N 443.490 5.058 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2cccc(Cl)c2)ccc1F 1862503431 XJEABYQCHBMUAV-WAIKUNEKSA-N 449.909 6.127 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(OCC)cc1 1862532143 CJVMZCYXOIAVQA-XMMPIXPASA-N 435.564 5.806 30 10 IKEE CCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccccc1C 1862589526 MXKHJMQHVLGXNB-RUZDIDTESA-N 449.591 6.420 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2ccccc2Cl)c1 1862596551 UYMOXAMKQPMIDD-HSZRJFAPSA-N 447.918 5.441 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1ccccc1Cl 1862641407 SVMBPRIKSFBMKK-HXUWFJFHSA-N 431.891 5.256 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 1862669161 PIXSNKKKXLVPPS-OAQYLSRUSA-N 445.481 6.063 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCCc2ccccc2)[C@H]1c1ccccc1)c1ccc(F)cc1 1862673346 DAJZPJVULHPPEL-DEOSSOPVSA-N 429.491 5.427 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCc2cccs2)cc1 1862673541 MHSZFYLCUIXZSH-QFIPXVFZSA-N 435.520 5.271 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2C2CC2)cc1 1862709924 IUAACYBMJPBPCI-HSZRJFAPSA-N 435.520 5.005 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccc1Cl 1862712616 VTIWVMGEPRPXTR-HSZRJFAPSA-N 433.935 6.262 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(O)cc1 1862724648 QTVWDFVICLYPJN-RUZDIDTESA-N 441.527 5.828 30 10 IKEE CN(C)c1ccc([C@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2C2CC2)cc1 1862727065 WAMMFANFASADHN-VWLOTQADSA-N 438.527 5.160 30 10 IKEE COc1cccc2c3c([nH]c12)CCN(c1cc(Nc2ccc(C#N)cc2)nc(C(C)C)n1)C3 1868242486 PCDJFALHDQQPMI-UHFFFAOYSA-N 438.535 5.268 30 10 IKEE CCCc1nc(Nc2ccc(C#N)cc2)cc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)n1 1868401150 PYMJRQLPJNQFNX-OAQYLSRUSA-N 433.943 5.276 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)CCc2ccc(CC)cc2)n(-c2ccc(Cl)cc2)n1 1870002385 MDBZFJXNFOBNKW-UHFFFAOYSA-N 449.986 5.233 30 10 IKEE N#Cc1nnn(Cc2ccc(Cl)cc2Cl)c1NC(=O)c1ccc(Cl)c(Cl)c1 1870104901 OXPQALIQAYMLRG-UHFFFAOYSA-N 441.105 5.064 30 10 IKEE CCCCCCCOc1cn(Cc2cccc(C)c2)c(CN2C[C@H](C)C[C@@H](C)C2)cc1=O 1870412612 FEXGXSFUOKPTDZ-DNQXCXABSA-N 438.656 6.032 30 10 IKEE C=CCn1cc(OCc2c(C)cc(C)cc2C)c(=O)cc1CNc1cc(OC)cc(OC)c1 1870802924 QGJPODZFHUJNCX-UHFFFAOYSA-N 448.563 5.168 30 10 IKEE C=CCOc1cn(CCCN(CC)CC)c(CNc2ccc(C(C)(C)C)cc2)cc1=O 1870811366 WNSAAGKWWCKDDZ-UHFFFAOYSA-N 425.617 5.055 30 10 IKEE C=CCOc1cn(CCCCCCCC)c(CNc2cc(OC)cc(OC)c2)cc1=O 1870811493 CDNXRUJEZOXUAY-UHFFFAOYSA-N 428.573 5.403 30 10 IKEE C=CCOc1cn(C[C@H](O)c2ccc(Cl)cc2)c(CNc2cccc(C)c2C)cc1=O 1870812975 QPXPCFVRUIQFSN-DEOSSOPVSA-N 438.955 5.029 30 10 IKEE Cc1ccc(CCC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871367074 WMUHLLHTCKZTRM-UCQKPKSFSA-N 432.903 6.111 30 10 IKEE O=C(/C=C/c1cccs1)Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O 1871379886 LEFNQANMTOTSPZ-QUPHNUHQSA-N 426.852 5.776 30 10 IKEE CCCCCCOc1ccc2c(c1C)O/C(=C\c1ccc(OC)c(OC)c1OC)C2=O 1871399399 JAOCGRKVKNSJAF-QNGOZBTKSA-N 426.509 5.596 30 10 IKEE Cc1ccc(OCCOc2ccc3c(c2C)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)cc1 1871404675 BYJJOZIZFRKFRH-HAHDFKILSA-N 431.444 5.286 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4cccc(C)c4C)cc(C)c3C2=O)cc1 1871414938 YDRHVPZQOMUSFW-PUDRWSQFSA-N 441.527 5.942 30 10 IKEE Cc1c(OCc2cccc3ccccc23)ccc2c1O/C(=C\c1ccccc1Cl)C2=O 1871434996 XQCRFVYZYKZJIW-MYYYXRDXSA-N 426.899 6.997 30 10 IKEE Cc1ccc(CCOc2ccc3c(c2)O/C(=C\c2cc(Cl)cc4c2OCOC4)C3=O)cc1 1871437586 LIMRCLIXUHJZCD-MSXFZWOLSA-N 448.902 5.753 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4c(F)cccc4F)cc(C)c3C2=O)c1 1871440883 MHQBGAOHQVROFL-NHDPSOOVSA-N 435.426 5.215 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OCC(=O)Nc3ccccc3C(C)C)cc(C)c2C1=O 1871456156 PIVVQHIOUBCPQW-XKZIYDEJSA-N 447.556 6.122 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(OCc3ccccc3)cc2)[nH]c(N(C)C)n1 1871636918 YYZYGBSRTRDEOF-UHFFFAOYSA-N 448.615 5.455 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1cc(C)ccc1C 1871861649 MNYVUOWFKTVFJW-QFIPXVFZSA-N 446.588 5.207 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(C)c(C)c1 1872529463 HGKDSYSOGOBKDA-XMMPIXPASA-N 442.625 5.294 30 10 IKEE CCCCCCCCCCNC(=O)Cc1nonc1OCc1ccc(Cl)cc1Cl 1872650590 ZPTZIHPXTKWPOG-UHFFFAOYSA-N 442.387 5.755 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(OC)c(OC)c3)n2)cc1 1872768000 HIDBKRCXZARLIG-PHRJPNOBSA-N 434.517 5.116 30 10 IKEE COc1ccc(C)cc1-c1csc([C@H](C#N)C(=O)c2ccc3nc(C)c(C)nc3c2)n1 1872770789 FISPAMRQNPPENK-GOSISDBHSA-N 428.517 5.177 30 10 IKEE CCOC(=O)Oc1ccc(C(=O)[C@@H](C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1 1872777614 RRHKCWRQOGDZQX-QGZVFWFLSA-N 431.473 5.317 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ccc(Cl)cc3)n2)c(OC)c1 1872783965 MEFLTGUBVXWOGL-SFHVURJKSA-N 426.925 5.290 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@H](C#N)C(=O)c2cccc(Br)c2)n1 1872788471 JAQVVYQCBGEGJF-OAHLLOKOSA-N 447.741 5.725 30 10 IKEE CCCCCCCCNC1=C(c2cccc(Cl)c2Cl)C(=O)N(CCCCC)C1=O 1873129419 RTRKXBWUBBAFFH-UHFFFAOYSA-N 439.427 6.214 30 10 IKEE C=CCNC(=O)c1c(NC(=O)/C(=C\c2ccccc2)c2ccccc2)sc2c1CCCC2 1873443236 ZSOKYQDEARQUSG-PYCFMQQDSA-N 442.584 5.722 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(CC)cc2)cc2c(N(C)Cc3ccccc3)ncnc21 1873660851 UMBLEZXNCBETNK-UHFFFAOYSA-N 425.536 5.068 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccccc1Cl 1874230545 OQNFYNKJGKPOTG-BHGWPJFGSA-N 447.391 6.023 30 10 IKEE Cc1ccccc1CSc1nnc(COc2c(C)cccc2C)n1/N=C/c1ccccc1 1874297419 AZEXTXQVQLNJCJ-JVWAILMASA-N 442.588 5.957 30 10 IKEE C=CCSc1nnc(CCc2ccccc2OC)n1/N=C/c1cccc2ccccc12 1874313845 QJGDPWXSARLPLP-NLRVBDNBSA-N 428.561 5.385 30 10 IKEE Fc1ccc(/C=N/n2c(CCc3cccs3)nnc2SCCc2ccccc2)cc1 1874371057 GMZUBFLWOFSPCT-KOEQRZSOSA-N 436.581 5.481 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccc(F)cc3)n2/N=C/c2ccc(F)cc2)c1 1874379716 ILBHFHFYJRODIX-RWPZCVJISA-N 448.542 5.938 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2)n1/N=C/c1ccc(O)c(O)c1 1874395360 KWZXQNYGNMAIRT-SCELWYEFSA-N 430.533 5.016 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2)n1/N=C/c1ccc(C(=O)O)cc1 1874395765 VHPOVTCGNOBORI-PMFZIYJTSA-N 442.544 5.303 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3ccccc3Cl)nnc2-c2ccccc2)c1 1874428293 BSNMVGADPWERAG-WGOQTCKBSA-N 448.979 6.172 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(CC(C)(C)C)n2/N=C/c2ccc(C)cc2)o1 1874437940 BDORKTCMZBGMDP-ZVHZXABRSA-N 440.569 5.119 30 10 IKEE Cc1ccccc1/C=N/n1c(SCC(=O)Nc2ccccc2C)nnc1C1CCCC1 1874454226 GSMORIDRNOFDKQ-MFKUBSTISA-N 433.581 5.166 30 10 IKEE Cc1ccccc1/C=N/n1c(SCC(=O)Nc2c(C)cccc2C)nnc1C1CCCC1 1874455135 CEQBRRYRWKGCCT-CVKSISIWSA-N 447.608 5.474 30 10 IKEE Cn1cccc1/C=N/n1c(SCc2ccc(Cl)cc2Cl)nnc1C(F)(F)F 1874462695 BCVPUCPUEJYSLQ-GZIVZEMBSA-N 434.274 5.117 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2-c2ccco2)c(OC)c1 1874465704 XITIEDAXLLLQNB-ZVHZXABRSA-N 434.521 5.038 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2c[nH]c3ccccc23)c1 1874509142 NFASJXJURYLELS-LGJNPRDNSA-N 446.580 5.113 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)c1C 1874586983 OQUWFZLOAHCUDK-NTEUORMPSA-N 431.507 5.973 30 10 IKEE COc1cccc(/C=C/C(=O)c2c(C)cc(C)cc2C)c1OCC(=O)Nc1ccc(C)cc1 1874590155 VTWVAGGDLVASKM-SDNWHVSQSA-N 443.543 5.842 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OC)c1OCc1ccccc1F 1874592056 AKYDQVZSUYETBJ-ZRDIBKRKSA-N 426.871 5.971 30 10 IKEE Cc1cccc(NC(=O)COc2cccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)c2)c1C 1874592775 BGSJHTVZJDUJJY-OUKQBFOZSA-N 430.460 5.125 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2cccc(OCc3ccccc3Cl)c2)cc1Cl 1874598932 MQUVTINEJCYSPI-ZHACJKMWSA-N 443.326 6.486 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1 1874610276 KEJJHHVQRGKJTR-ZRDIBKRKSA-N 439.870 5.401 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 1874611961 ZPSDNPZJEYKUSI-BUHFOSPRSA-N 447.487 5.786 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)CCc3ccccc3C)c2)cc1C 1874696342 UEGYDFHQCJLGBW-UKTHLTGXSA-N 444.527 5.755 30 10 IKEE Cc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3cccc(Br)c3)c2)cc1 1874698161 YXHLHMIGZOQLGY-OUKQBFOZSA-N 435.317 5.802 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cccc(OC(=O)C(c2ccccc2)c2ccccc2)c1 1874698528 ARGXBSYWZQVVHE-FMQUCBEESA-N 448.518 6.329 30 10 IKEE O=C(Cc1ccccc1F)Oc1cccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1 1874703114 ZKHCUOQWFGGOBL-DHZHZOJOSA-N 429.274 6.177 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(Cl)cc3)c2)cc1Cl 1874716926 PJMZMHIKLAEKTN-VZUCSPMQSA-N 427.283 6.117 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(F)cc2)CSc2nnc(CCCC)n21 1874894768 KXXLVXRHDCOMLR-FQEVSTJZSA-N 432.609 5.822 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3F)c(OCC)c2)cc1 1875107649 BRLCWDRKHIKCIG-GHRIWEEISA-N 446.518 6.682 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(N(C)C)cc3)c(Cl)c2)c(C)c1 1875131780 NVLCNAAVEKEMCM-AWNIVKPZSA-N 433.935 6.138 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc(Cl)c1OC(=O)CC 1875132578 JCYJSXWMLYVFAK-VMPITWQZSA-N 427.711 6.257 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)Cc1ccc(C)cc1 1875133443 VHADVAUDVPNYEV-SDNWHVSQSA-N 430.500 5.365 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3ccccc3)cc2)cc1 1875137415 LBVJSSHMNUIGKX-XDHOZWIPSA-N 444.527 6.136 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2Cl)c1 1875139398 HFKXUXAQSSDBRE-FMIVXFBMSA-N 448.946 6.400 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3c(C)ccc(C)c3C)cc2)cc1F 1875151956 AXWKVKRBVVDYMG-UKTHLTGXSA-N 448.490 5.640 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(C)c3)c([N+](=O)[O-])c2)cc1F 1875153218 WMHIXKUXAQFGBJ-RMKNXTFCSA-N 435.407 5.166 30 10 IKEE O=C(Cc1ccccc1Cl)Oc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1Cl 1875162166 ZXIMRUXUJFHUJT-WEVVVXLNSA-N 447.264 6.316 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)C(F)(F)F)c(OC)c2)c(C)c1C 1875164754 ZGDIZHRSLBNQBK-FNORWQNLSA-N 442.817 5.338 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)Cc1ccc(F)cc1 1875166474 IOJKYGGNRIIPMV-KPKJPENVSA-N 448.490 5.504 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc1OC 1875190509 NZBVNPDMZLJFDM-ZRDIBKRKSA-N 438.907 6.112 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc(OC)c1OC(=O)CC(C)C 1875193579 QDUMGUDLKZEJAX-CSKARUKUSA-N 442.939 5.933 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C12CCC2 1880185269 PZIYRWIAJLTZEV-RUZDIDTESA-N 441.572 5.250 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(-c4ccccn4)s3)ccc21 1890602528 BZBNLZVHBTVVDF-UHFFFAOYSA-N 433.533 5.000 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1C[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 1911138116 OZWUBIGDOAORIF-RMRNXIRCSA-N 428.617 5.067 30 10 IKEE C#CCCN(C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC)C(C)C 1984783621 YMERAEUKOCRSJM-FNZWTVRRSA-N 446.591 5.200 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)C12CCC2 2005325490 KHVNQMBEVVDMME-MZNJEOGPSA-N 433.593 5.143 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@]2(C)CCCN2C(=O)OC(C)(C)C)cc1 2020803088 RZAFPXFMWCSPMA-CYFREDJKSA-N 429.561 5.418 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@]2(C)CCCN2C(=O)OC(C)(C)C)c1 2020804803 SPLPFXCDOUTWPB-NTKDMRAZSA-N 429.561 5.418 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@H]2CC(C)(C)CN2C(=O)OC(C)(C)C)c1 2033715008 DDNZRYBGQQSZPO-UXHICEINSA-N 443.588 5.664 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CN(C(=O)OC(C)(C)C)CC3(CC3)C2)c1 2037321214 XYRRLOCJGVPNQT-VWLOTQADSA-N 441.572 5.420 30 10 IKEE C=C(C)[C@H](O)CC[C@@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 2037784271 MHGLNDDJLDJDBG-HMKWURNZSA-N 442.728 7.140 30 10 IKEE CC(C)(C)OC(=O)N(CCN=[N+]=[N-])[C@]1(C#N)CN(Cc2ccccc2)C2(CCCCC2)C1 2038672969 IVFNPQDGNUUGFW-XMMPIXPASA-N 438.576 5.405 30 10 IKEE C#CCCCCC[C@@H](NCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2041897288 QNFKJQRQSRKLHL-SHQCIBLASA-N 442.644 5.392 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)Cc1ccc(Cl)c(Br)c1F 2047991173 ULKJNOAJKKWBMD-KGLIPLIRSA-N 436.749 5.005 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)cc1Br)NCCC 2063098767 IKPNPIGCJURRTQ-IAGOWNOFSA-N 431.802 5.093 30 10 IKEE CC1([C@@H](c2ccc(C(F)(F)F)cc2F)n2nc(C(F)(F)F)c(CN)c2Cl)CC1 2079977427 LWDDKZJPXKZWBV-CYBMUJFWSA-N 429.767 5.561 30 10 IKEE CC[C@H](c1ccc(OC(C)C)cc1)n1nc(C2(C)CC2)c(C#N)c1I 2080127866 HZIPIHRKNZGDGJ-QGZVFWFLSA-N 449.336 5.197 30 10 IKEE C=CCCCCC[C@H](NCC)c1ccc(Br)cc1I 2142287445 DJMHNYKGRKWLQU-INIZCTEOSA-N 436.175 5.841 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)C(C)(C)[C@@H]1CCCCO1 2151440967 VNXDRGDOBSZSCR-MSOLQXFVSA-N 437.378 5.678 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CC12CCC(Nc1cc(Br)c(C#N)cc1F)CC2 2162320321 JGNRDZIJPVKLBC-RNHGABITSA-N 438.341 5.098 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCCC)c2c(F)cc(Br)cc2F)C1 2197756577 XBFUUHZIPQEHEQ-KRWDZBQOSA-N 445.348 5.382 30 10 IKEE C=CCCCCCC[C@@H](NC)[C@H](O)c1scc(Br)c1Br 2206896035 ZOGSJMWAYHBFPD-OCCSQVGLSA-N 425.230 5.421 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)CCC12CC2 2220216867 UQNVGOUIERPTTN-DEOSSOPVSA-N 445.535 5.393 30 10 IKEE C=CCC[C@@H](NCCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229109145 GAKUNNZGGVVSDX-MOPGFXCFSA-N 425.411 5.219 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)C(C)(C)CCNC(=O)OC(C)(C)C 2235749069 GKUKIUCXJDGBJZ-LJQANCHMSA-N 437.422 5.110 30 10 IKEE CC1(C)OB(c2cc(Cl)cc(C(=O)N(Cc3ccccc3)C3CCCC3)c2)OC1(C)C 2255544458 ZVHYFSUDEZEVTD-UHFFFAOYSA-N 439.792 5.224 30 10 IKEE CC(C)(C)C#CC=CC[C@H](O)c1cc(I)ccc1Br 2268784929 HCWVUKVDUSWAHW-HNNXBMFYSA-N 433.127 5.083 30 10 IKEE C=CCCC1([C@@H](NC)c2cc(C)cc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2281050785 NOBCNRGJHIGRJO-SFHVURJKSA-N 441.385 5.360 30 10 IKEE C=CCCC1([C@@H](Cc2ccccc2Br)NCC)CN(C(=O)OC(C)(C)C)C1 2281052485 DDQINOOFVZJUQD-LJQANCHMSA-N 437.422 5.173 30 10 IKEE C[C@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)C#Cc2cccc(Br)c2)cc1 2296223668 CBWMCVQJCWZJOU-HNNXBMFYSA-N 428.326 5.269 30 10 IKEE CC1(C)C[C@@](C)(c2ccccc2)c2cc(F)cc3c2N1C(=O)C3=CC(=O)c1ccccc1 2297731491 ANSUJZXBEGRLOW-NDEPHWFRSA-N 425.503 5.927 30 10 IKEE CCCCCCCCCOc1ccc(C=Nn2c(S)nnc2C2CC2)cc1OCC 2321884358 LHAVWEZHEVAIMM-UHFFFAOYSA-N 430.618 5.855 30 10 IKEE COc1ccc(CN2COc3cc(C)c4c(c3C2)OC(=Cc2cccc(Cl)c2)C4=O)cc1 2321946983 LKOTUYMHBZXAMR-UHFFFAOYSA-N 447.918 5.625 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2Cl)Oc2c1ccc1c2CN(Cc2ccncc2)CO1 2321978838 HQEDJMGKMGFKNL-UHFFFAOYSA-N 439.298 5.357 30 10 IKEE CCCOC(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccc(OC)c(OC)c1 2322346976 KQSWQYJBLLCTSR-UHFFFAOYSA-N 434.488 5.085 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@](C#N)(N(C(=O)OC(C)(C)C)c1ccc(F)cc1)C2 2322625630 KXLWSMGRYFWGHI-TVVUZDRGSA-N 445.535 5.249 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)cc(C)c3C2=O)c1 2323323711 XSUOOXKSLZYPDD-UHFFFAOYSA-N 446.886 5.892 30 10 IKEE CCCOc1c(Br)cc(C=CC(=O)c2ccc3ccccc3c2)cc1OC 2323404087 TXFOFRLQZQYFLA-UHFFFAOYSA-N 425.322 6.296 30 10 IKEE COc1cc(C=Nn2c(S)nnc2-c2cccs2)ccc1OCc1ccc(C)cc1 2323530634 SFOZMEIHSBITCW-UHFFFAOYSA-N 436.562 5.074 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)cc1 2323628431 GPYWGERYDMZJNW-UHFFFAOYSA-N 439.870 5.401 30 10 IKEE CCOc1cc(C=NNc2nc(-c3ccc(Cl)cc3)cs2)cc(Cl)c1OCC 2323858305 FFJLWYMCVZAYKQ-UHFFFAOYSA-N 436.364 6.360 30 10 IKEE COc1cc(C=NNC(=S)NC2CCCCC2)ccc1OCc1cc(C)ccc1C 2323874474 UMSRQRLTKZKNBP-UHFFFAOYSA-N 425.598 5.022 30 10 IKEE O=C(C=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1cccc2ccccc12 2324128290 BRYUEVBOTOQEBE-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE CCOc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccco1)C2=O 2324325305 YVFWWJLIRPCMCE-MRXNPFEDSA-N 433.460 5.009 30 10 IKEE C[C@H](Oc1ccc2c(c1)OC(=Cc1c(F)cccc1Cl)C2=O)C(=O)Nc1ccccc1 2324400466 GIWRSNVYDXNYSD-AWEZNQCLSA-N 437.854 5.501 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)C(=Cc3ccccc3)c3ccccc3)n2)c(C)c1 2324522065 LGIQLVXWIGKLIQ-RUZDIDTESA-N 434.564 6.844 30 10 IKEE CCCC[C@@H](Oc1ccc2c(c1C)OC(=Cc1cn(CC)c3ccccc13)C2=O)C(=O)O 2324781212 SVUJXJMHQREEFY-JOCHJYFZSA-N 433.504 5.608 30 10 IKEE Cc1c(OCC(=O)N[C@H](C)c2ccccc2)ccc2c1OC(=Cc1cccc(Cl)c1)C2=O 2325019945 PFBWYYDUTPSTBI-QGZVFWFLSA-N 447.918 5.521 30 10 IKEE Cc1ccc2nc(-c3ccc(NC(=O)C(=O)C=Cc4ccc(F)cc4F)cc3)sc2c1 2325586869 AFAMRZARBAZXMO-UHFFFAOYSA-N 434.467 5.771 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cccc(Br)c3)c2)cc1 2325705439 GOKLQQPUVOLKJA-UHFFFAOYSA-N 435.317 6.127 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)ccc2OC)c1 2325721638 OESXWHWYDVQMNT-UHFFFAOYSA-N 447.443 5.117 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1OC(=O)c1ccc(N(C)C)cc1 2325727613 GCCXMVBXZLXWET-UHFFFAOYSA-N 435.907 5.530 30 10 IKEE Cc1cccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2cccc(F)c2)C3=O)c1C 2325738007 KFXDUPOGZBAXPB-UHFFFAOYSA-N 431.463 5.385 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)CCCOc3ccc(Cl)cc3)c2)cc1C 2325760497 ISQCQHXPDHGZQS-UHFFFAOYSA-N 448.946 6.618 30 10 IKEE CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccc(OC)cc1 2326112768 MNNQDYGQAKJKKP-UHFFFAOYSA-N 430.961 5.130 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1ccc(CC)cc1 2326336706 DZILFLFHENIXOM-UHFFFAOYSA-N 434.609 5.575 30 10 IKEE Cc1cc(C)cc(CSc2nncn2N=Cc2ccc(OCc3ccccc3)cc2)c1 2326393051 JFBJFWCKOIQGPQ-UHFFFAOYSA-N 428.561 5.648 30 10 IKEE CCOc1ccc(C=Nn2cnnc2SCc2cc(C)cc(C)c2)cc1Br 2326393969 KAGKESFBSYZMAR-UHFFFAOYSA-N 445.386 5.231 30 10 IKEE CCOc1cc(C=Nn2cnnc2SCc2cc(C)cc(C)c2)cc(Cl)c1OC 2326394017 XIUFVPRZAPQPMJ-UHFFFAOYSA-N 430.961 5.130 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1c(Cl)cccc1Cl 2326417991 JIBUWTSGNGRTEH-UHFFFAOYSA-N 447.435 6.719 30 10 IKEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1cccc(Cl)c1Cl 2326490036 DOYFFTYKLRINHD-UHFFFAOYSA-N 446.190 6.375 30 10 IKEE CCCCOc1ccc(C=Nn2cnnc2SCc2ccccc2Cl)cc1OCC 2326532845 VVAPQBRHINSXRA-UHFFFAOYSA-N 444.988 5.684 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccccc1OCC 2326574847 SSRQQVWIHLTNLJ-UHFFFAOYSA-N 432.952 5.596 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2C)n1N=Cc1cn(C)c2ccccc12 2327112624 BQYWQRHSQCYVRU-UHFFFAOYSA-N 445.592 5.250 30 10 IKEE CCCCC1CCC(c2nnc(SCCCO)n2N=Cc2cccc(OCC)c2)CC1 2328194003 RZKJKMKBPAEPFO-UHFFFAOYSA-N 444.645 5.498 30 10 IKEE CCCCC1CCC(c2nnc(SCC(=O)OCCC)n2N=Cc2cccnc2)CC1 2328217437 LZNUQGNITKFWAB-UHFFFAOYSA-N 443.617 5.065 30 10 IKEE CCSc1nnc(CCc2ccc(OC)cc2)n1N=Cc1ccc(C(F)(F)F)cc1 2328574833 FZJDSUIWHLRCLM-UHFFFAOYSA-N 434.487 5.085 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2ccc(F)cc2)cc1 2329247104 UPVLDSKXIYLLLR-UHFFFAOYSA-N 446.551 5.500 30 10 IKEE Fc1cccc(C=Nn2c(COCc3ccccc3)nnc2SCc2ccccc2)c1 2329341283 UXGNBDAXRIGSIK-UHFFFAOYSA-N 432.524 5.309 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2F)n1N=Cc1ccncc1 2329486953 WBQYUOPCVJKONY-UHFFFAOYSA-N 431.540 5.080 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc4cc(Cl)ccc4n3)cc2)cc1 2330742305 ZYFVRIYMGQCBLI-UHFFFAOYSA-N 441.914 6.566 30 10 IKEE CC(C)c1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccccc2Cl)cc1 2330850970 PVSTWWDBJQLWJV-UHFFFAOYSA-N 441.044 6.818 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CCOc3ccccc3)c(OC)c2)cc1 2331212592 ZIRWNUBXLKUCFT-UHFFFAOYSA-N 446.499 5.365 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)[C@H](C)c1ccccc1 2331256694 QNEKIPKMXKOFKM-GOSISDBHSA-N 434.919 6.262 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)CC(C)C)c(OC)c2)cc1 2331299374 ZWZBCASVRWNBBG-UHFFFAOYSA-N 426.509 5.340 30 10 IKEE C=CCSc1nnc(C(C)(C)C)n1N=Cc1ccc(OCc2ccccc2)c(OC)c1 2331400814 YKHNTUNRGOTRNS-UHFFFAOYSA-N 436.581 5.324 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OC(=O)c1ccccc1 2331431544 VJNOWECZZNPQMK-UHFFFAOYSA-N 436.847 5.193 30 10 IKEE C=CCSc1nnc(CC(C)C)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2331460086 KQEBVKZOJGEHJE-UHFFFAOYSA-N 441.000 5.869 30 10 IKEE CCCc1nnc(SCc2ccccc2C)n1N=Cc1ccc(Br)cc1 2331632434 QRJCXRBYLBMUHG-UHFFFAOYSA-N 429.387 5.476 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2ccc(OC(=O)CC(C)(C)C)c(OC)c2)cc1Cl 2331703537 SKJPLMWGGTXKSG-UHFFFAOYSA-N 446.927 5.604 30 10 IKEE Oc1c(/C=N/c2ccc3oc(-c4ccc5ccccc5c4)nc3c2)cccc1-c1ccccc1 2067161 SBDJNFFPSQJTCJ-ZCTHSVRISA-N 440.502 7.771 30 10 IKEE Cc1cc(/N=C/[C@H](C#N)c2ccc(/C(C#N)=N\c3ccc(N(C)C)cc3)cc2)cc(C)c1N=O 4235338 ICDYXACODOPILD-MFIQBCKKSA-N 448.530 6.421 30 10 IKEE C=CCn1c(S[C@H](C)C(=O)O[C@@H](C)CC)nc2scc(-c3ccccc3)c2c1=O 19651122 VOBPOODRQPTNFJ-LSDHHAIUSA-N 428.579 5.133 30 10 IKEE CC(C)Oc1ccccc1/C=C1/CN(C(C)C)C/C(=C/c2ccccc2OC(C)C)C1=O 20115293 WTVQJPKMQSAAIS-URXAUHHJSA-N 433.592 6.021 30 10 IKEE COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)c1O 21241051 ACCLRLGSCRSXBQ-LMKMVOKYSA-N 446.934 6.034 30 10 IKEE COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccco2)ccc1OC(C)C 21254560 OUGXTMRYONZUPX-MYUZEXMDSA-N 444.531 6.055 30 10 IKEE Cc1c(/N=N/c2ccc(-c3ccccc3)cc2)c(O)n([C@@H](C)c2ccccc2)c(=O)c1C#N 39870740 IYJOYOJWJQONIZ-VDWVSBSNSA-N 434.499 6.426 30 10 IKEE C=C(Br)Cn1c(CCCCCNC(=O)c2ccccc2F)nc2ccccc21 40213014 GTDSMDFUMMHNEU-UHFFFAOYSA-N 444.348 5.227 30 10 IKEE Cc1ccc([C@@H](CNc2oc(-c3ccccc3[N+](=O)[O-])nc2C#N)N2CCCCCC2)cc1 40374079 IJXVKRMLKNTEHV-HSZRJFAPSA-N 445.523 5.459 30 10 IKEE COc1cc(/C=C\C(=O)c2ccc(N3CCCCC3)cc2)ccc1CSc1ccccc1 96603040 MCXHJECOEGPMSD-BOPFTXTBSA-N 443.612 6.874 30 10 IKEE COc1c(Cl)cc(Cl)cc1/C=C\C(=O)/C=C\c1cc(Cl)cc(Cl)c1OC 97402282 XZWYIFJCMITUSW-GLIMQPGKSA-N 432.130 6.613 30 10 IKEE CCCCCCCCCCOc1ccc(C2=N/C(=C\c3ccc4c(c3)OCO4)C(=O)O2)cc1 97997736 AMRQYSSERUQRDI-QJOMJCCJSA-N 449.547 6.279 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)/C(=C(\O)c4ccco4)[C@H]3c3cccs3)sc2c1 102909498 SMGNDBIWXRKMJC-LYHOESIGSA-N 436.514 5.140 30 10 IKEE COc1ccc(Br)cc1/C=C1/Oc2cc(OC(=O)C(C)(C)C)ccc2C1=O 103022158 RPOPSLBFHDWMSK-VCHYOVAHSA-N 431.282 5.025 30 10 IKEE COc1c(Cl)cc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1Cl 108472506 SURLQBZUZPUIME-UHFFFAOYSA-N 428.275 5.622 30 10 IKEE COc1cc(/C=N\n2c(S)nnc2-c2ccccc2)ccc1OCc1ccc(C)cc1 169911879 BSGQBFXZJCHIGY-MYYYXRDXSA-N 430.533 5.012 30 10 IKEE CC(C)Oc1c(Cl)cc(/C=N\n2c(S)nnc2Cc2ccc(F)cc2)cc1Cl 169913690 LMODIIVKQHLBOL-RMORIDSASA-N 439.343 5.273 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2cc(C)cc(C)c2)cc1 169922397 UAANJYNSEVHXCB-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE COc1ccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 169925528 FEZKDNNFBXWVGS-RUZDIDTESA-N 427.500 5.106 30 10 IKEE CCCOc1c(Cl)cc(/C=N\Nc2nc(-c3ccccc3OC)cs2)cc1OCC 169940460 KPQZOZGUULYVBC-CFRMEGHHSA-N 445.972 6.106 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3ccc(C)cc3)cs2)cc(Cl)c1OC(C)C 169942685 XCVAXZFAIMYOOL-MSXFZWOLSA-N 429.973 6.404 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1c1ccccc1C 169946151 RWCGCTKFMPWLFP-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@H]1c1ccc(O)cc1 169961019 OITPJVZYHAQKOH-DEOSSOPVSA-N 443.499 5.109 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2cccc(Cl)c2)c1 169970277 JJMLVAZBNTWWOU-QHCPKHFHSA-N 445.902 5.366 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 170065469 KLEZCNANGFBPOL-XMMPIXPASA-N 433.454 5.062 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccccc1F)c1ccc(Cl)cc1 170070942 BABATRSFENPYTJ-HXUWFJFHSA-N 442.273 5.915 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCc2ccc(F)cc2)o1 170102856 CNRFCWCTOQMCBB-QHCPKHFHSA-N 445.446 5.294 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2cccc(C)c2)c1 170141189 KDBXROKDDCSHMI-XMMPIXPASA-N 443.499 5.272 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(C)c2)ccc1Cl 170143757 VGPQXWXFGAZXJK-OAQYLSRUSA-N 437.879 5.029 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1cccs1 170160039 NNSPXMMCXHIZJL-JOCHJYFZSA-N 449.528 5.327 30 10 IKEE NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1c1cccc(Cl)c1Cl 170179906 VGUNXXKXJLQZQK-UHFFFAOYSA-N 436.751 5.487 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2CCC)cc1 170215652 CQMNZZDAOAWHEW-NRFANRHFSA-N 443.927 5.126 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1ccccc1 170223930 SKIQFOUTUDODHF-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@@H]1c1ccccc1 170232860 QYGOAOFVNSDKBG-DEOSSOPVSA-N 435.564 5.977 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1ccccc1F 170248565 IEYYOIFXSXXBAU-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccco1 170280154 BMMWVXZEKZQKHS-XMMPIXPASA-N 439.467 5.220 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccco1)c1cc2cc(Cl)ccc2o1 170281795 IZBAUHVFSSLVEW-FQEVSTJZSA-N 437.810 5.601 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2ccco2)ccc1F 170284326 RUZKFWDVWXNDGH-FQEVSTJZSA-N 425.843 5.472 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cccc(OC(C)C)c2)c1 170347495 LJOWKRVZAWVLBH-JOCHJYFZSA-N 449.528 5.327 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(C(C)C)cc2)cc1 170360315 LZNJBAMWMNKGDI-XMMPIXPASA-N 442.515 5.387 30 10 IKEE CCN(CC)c1ccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]2c2cccc(OC)c2)cc1 170429782 LANJKOCAPPUVRO-DEOSSOPVSA-N 436.552 5.057 30 10 IKEE CCCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2cccc(C)c2)cc1 170460520 DCPRHJHEGJGDFP-NRFANRHFSA-N 435.520 5.077 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2ccc(OC(C)C)cc2)cc1 170473686 HQNPZBVCAYBWIV-QFIPXVFZSA-N 437.536 5.388 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1c(C(=O)OCC)cnn1C 170498921 QEYFHVMWSQNUCQ-UHFFFAOYSA-N 435.653 6.797 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1nnc(-c2cccs2)s1 170504767 NQQRBNOGGDDHBW-UHFFFAOYSA-N 449.730 8.467 30 10 IKEE CCOc1ccc(/C=C2/SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1 252588670 ADJNNHIPEIGAFE-DNKROPNVSA-N 428.557 6.511 30 10 IKEE CC(=O)ON=C(C)[C@]12C[C@@H]1C[C@@H]1[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C 253532396 GGQIDQJAIYDGEX-UFUSBZOISA-N 427.585 5.436 30 10 IKEE CN1/C(=C2/SC(=Nc3cccc(O)c3)N(C3CCCCC3)C2=O)Sc2ccccc21 254487966 FNCMHXRZFSKYSF-JSYGVCDLSA-N 437.590 5.699 30 10 IKEE Cc1cc(N=Cc2cc(Cl)cc(Cl)c2O)ccc1NC(=O)c1cc2ccccc2o1 254589904 MGCITRQBIBVIPF-UHFFFAOYSA-N 439.298 6.757 30 10 IKEE FC(F)(F)c1ccc(C=Nn2c(-c3cccs3)csc2=NCc2ccccc2)cc1 254907401 HPWKOALQPDYHOM-UHFFFAOYSA-N 443.519 6.280 30 10 IKEE CCOc1ccc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526488419 OCYOJEGSACTYEK-QHCPKHFHSA-N 430.891 5.668 30 10 IKEE CC(C)(C)c1ccc(CSc2nncn2/N=C\c2cccc(Br)c2)cc1 526805184 FZOYCJMVBFYHLL-FMCGGJTJSA-N 429.387 5.513 30 10 IKEE COc1cccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2cc(C)cc(C)c2)c1 526810876 QTDMSWGSLWVQDO-PKAZHMFMSA-N 442.588 5.669 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccc(O)c(Cl)c1 526816495 GSMSCWLLCCVJAY-FMCGGJTJSA-N 435.380 5.808 30 10 IKEE CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1c(C)n(CC)c2ccccc12 526829232 XUZHCIMVFDFJKI-OYKKKHCWSA-N 448.552 5.206 30 10 IKEE N#Cc1cccc(CN(CCC2=CCCCC2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 586134859 CPJRXPFYSBLWGB-UHFFFAOYSA-N 449.403 5.946 30 10 IKEE Cc1cccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 586241919 UHIQRKJKWIYDKY-UHFFFAOYSA-N 431.344 5.569 30 10 IKEE CC(C)(C)c1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2ccc(Cl)cc2)cc1 586252082 RGJLRFVBOUUNDM-UHFFFAOYSA-N 438.980 5.905 30 10 IKEE C=CCN(CC=C)C(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 586673417 PSGZEOYEGODPCP-UHFFFAOYSA-N 437.849 5.817 30 10 IKEE CC1(C)OB(c2ccccc2Cn2ccc3c(OCc4ccccc4)cccc32)OC1(C)C 720925204 BQFNJUWZILQPEB-UHFFFAOYSA-N 439.364 5.568 30 10 IKEE CCCCCCCCOc1ccc(C=Nn2[nH]nnc2=Nc2cccc3ccccc23)cc1 1084534183 NLZRCGVZNLNJOB-UHFFFAOYSA-N 442.567 5.613 30 10 IKEE C=C(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)/C(=N\O)CC[C@@]34C)[C@@H]12 1614467720 IBHLVHLIYYDTRV-ZNXCRRKLSA-N 439.728 8.494 30 10 IKEE Cc1ccc2c(c1)/C(=N/c1ccc(F)cc1)C[C@@H](C)N2C(=O)c1ccc(Cl)c(Cl)c1 1615946847 USWUXVKAIIPUJQ-YPQZGQIKSA-N 441.333 7.001 30 10 IKEE O=C(O)c1cccc(N=C2S/C(=C/c3cccc(Cl)c3)C(=O)N2C2CCCCC2)c1 1772734317 DUFPFOCMVKKHQE-UFDKDONYSA-N 440.952 5.975 30 10 IKEE Cc1c(C(=O)NCc2ccccn2)oc2c1C(=NNc1cccc(C(F)(F)F)c1)CCC2 1772750645 FHGBWVSUZKHZPH-UHFFFAOYSA-N 442.441 5.084 30 10 IKEE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNc1ccc(F)cc1)CCC2 1772751276 ZPQDUNJKMXPFQK-UHFFFAOYSA-N 449.482 5.309 30 10 IKEE Cc1ccc(N=C2S[C@@H](CC(=O)c3cc(C)ccc3C)C(=O)N2c2ccc(C)cc2)cc1 1772759896 DPELVBFEAKIRNE-VWLOTQADSA-N 442.584 6.329 30 10 IKEE CCOc1ccc(-c2cc(C(=O)Nc3ccccc3C#N)nn2Cc2ccc(C)cc2)cc1 1859407243 HIMNIVNPWRVBNQ-UHFFFAOYSA-N 436.515 5.430 30 10 IKEE CCCCCCCCCCNC(=O)c1oc2cc(OC)ccc2c(=O)c1-c1ccccc1 1859781026 LYWDFWHJRUTKKK-UHFFFAOYSA-N 435.564 6.339 30 10 IKEE CCOc1ccc(/C=C/C(=O)C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1OCC 1860636075 KMBBOHDKXYJOAV-BMRADRMJSA-N 443.543 5.295 30 10 IKEE C[C@@H]1CCc2c(sc(NC(=O)CSc3nc(-c4ccc(F)cc4)cs3)c2C#N)C1 1860798178 CMGMYOOFMKZJNI-GFCCVEGCSA-N 443.594 5.738 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](C)NC(=O)COc1ccc(Cl)cc1Cl 1861672008 JUUKHEDXFWMPMW-MRXNPFEDSA-N 431.404 5.134 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)/C=C/c1cc(OC)ccc1OC 1861728460 DOIYBZUFGLZWGI-ZGSOLVRCSA-N 446.632 5.259 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc(OC)c1 1862431145 AKTXVCOSVSAWQY-OAQYLSRUSA-N 427.928 5.507 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)c1 1862479277 CJRVZTGFQJUMBB-DNVKUUNQSA-N 447.575 5.941 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1c(F)cccc1Cl 1862494556 NLPBSJIXBWDBHH-JOCHJYFZSA-N 443.946 6.255 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccccc2)cc1 1862507678 QPNMDDNMRDDWFR-CJAUYULYSA-N 443.518 6.036 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2ccccc2F)cc1 1862529817 KGFGQLLKDHNIJJ-QFIPXVFZSA-N 435.520 5.271 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2cccc(OC)c2)cc1 1862530863 ZPPSHIAWLBFXSC-XMMPIXPASA-N 427.500 5.036 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2ccc(C(C)C)cc2)cc1 1862597264 XSRLOMDJYXOJGL-RUZDIDTESA-N 441.527 5.603 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2cccc(F)c2)cc1 1862615871 MUSLZKSCUVZVHI-XMMPIXPASA-N 449.566 6.424 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(F)cc2)=C(O)C(=O)N1CCCc1ccccc1 1862674865 WGVODJMSZXBGOA-XMMPIXPASA-N 429.491 5.345 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(C(=O)O)cc1 1862714884 OOAFNFSHUOSKGR-HSZRJFAPSA-N 443.499 5.307 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1C 1862877583 GFIXJSGRSUPSII-UHFFFAOYSA-N 441.918 5.534 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2Oc2ccccc2)=C(c2ccc(Cl)cc2)C1=O 1863174511 HRXXYNFRBYRORT-UHFFFAOYSA-N 430.891 5.510 30 10 IKEE CCCCCN1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863288439 XGACFOREGQSMKV-UHFFFAOYSA-N 428.319 5.247 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(OC)c2)=C(c2ccc(F)c(C)c2)C1=O 1863452553 DDBYNKYIYKXUDE-UHFFFAOYSA-N 438.543 5.695 30 10 IKEE CCCCCCCCNC1=C(c2ccc(F)cc2)C(=O)N(Cc2ccc(OC)cc2)C1=O 1863503412 BHCQZQRUASCXQI-UHFFFAOYSA-N 438.543 5.065 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2[N+](=O)[O-])C(=O)N([C@@H](C)CC)C1=O 1863596534 WTYNEHKXVWJGKN-SFHVURJKSA-N 429.561 5.204 30 10 IKEE CCCCCCCCNC1=C(c2c[nH]c3ccccc23)C(=O)N([C@H](C)c2ccccc2)C1=O 1863818963 FHIWAYGONZJNDR-HXUWFJFHSA-N 443.591 5.959 30 10 IKEE N#Cc1cc(Br)c(NC(=O)c2ccc(Cl)cc2Cl)c(Br)c1 1865948942 BVURMJMLLLUKFX-UHFFFAOYSA-N 448.929 5.642 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)c2cc(O)c3ccc(C)c(C)c3n2)c1 1866489361 MPUUZFZSWOKRKL-UHFFFAOYSA-N 435.483 5.221 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)c2ccccc2-c2ccccc2)n(-c2ccc(C)cc2)n1 1870001341 ZQGLAWFSYCEFCY-UHFFFAOYSA-N 449.558 5.673 30 10 IKEE CCCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSc1ccccn1 1870232652 DEYVGOLEYNBJEV-UHFFFAOYSA-N 433.577 5.567 30 10 IKEE CCCCCCCOc1cn(CCCCCCO)c(CSc2ccccc2)cc1=O 1870259803 JKWSXGLQDPOEME-UHFFFAOYSA-N 431.642 6.043 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(C)cc2)c(=O)cc1CN1CCC[C@H](C)C1 1870770514 OSNRUKWHTQPLLU-DEOSSOPVSA-N 438.656 6.328 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3cc(C)ccc3C)CO4)C2=O)cc1 1871349006 NABYLMWYOIEXNP-WGARJPEWSA-N 425.528 5.834 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc4c3CN(CCC3=CCCCC3)CO4)C2=O)c(OC)c1 1871349170 IBTXPVDIMWYIJI-QFEZKATASA-N 447.531 5.362 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OC(=O)/C=C/c4cccc([N+](=O)[O-])c4)c3C)C2=O)c1 1871377626 VCQOCGXBJJHZTO-GSNARSAFSA-N 441.439 5.447 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc3C2=O)cc1 1871381156 QTXZWNDQZHDTCS-QRVIBDJDSA-N 434.875 5.503 30 10 IKEE O=C1/C(=C/c2ccncc2)Oc2c1ccc(O)c2CN(Cc1ccccc1)Cc1ccccc1 1871396864 ZZQCVHGHQOTNJH-PKAZHMFMSA-N 448.522 5.606 30 10 IKEE Cc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccccc1Cl)C2=O 1871410060 WJQIUTYKHIUXSB-SUVVMJBMSA-N 447.918 5.979 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871411432 NLELDZGOJZOAOI-SGMWPGOQSA-N 431.463 5.410 30 10 IKEE COc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4c(C)cccc4C)ccc3C2=O)cc1 1871432213 YLJKIEWLDHREBD-YNJLWJOVSA-N 443.499 5.334 30 10 IKEE C=CCN(CC=C)c1nc(=NCCCC)nc(Nc2ccc(OCCCCCC)cc2)[nH]1 1871609890 QVFATPNTNNAVGG-UHFFFAOYSA-N 438.620 5.387 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 1871983753 JFPGHVYUQBMBEA-XMMPIXPASA-N 442.625 5.232 30 10 IKEE Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)ccc1[N+](=O)[O-] 1872759100 DSENRKIAGRFAQB-OAQYLSRUSA-N 439.496 6.184 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccccc3C(C)C)n2)cc1 1872768702 ZYOZHGKBYMIXIZ-UTKZUKDTSA-N 434.561 5.976 30 10 IKEE COc1ccc(C)cc1-c1csc([C@@H](C#N)C(=O)/C=C/c2ccc(Cl)c(Cl)c2)n1 1872771120 MMWGUIVDUXCJEP-YERXGYGTSA-N 443.355 6.324 30 10 IKEE N#C[C@H](C(=O)/C(=C\c1ccccc1)c1ccccc1)c1nc(-c2c[nH]c3ccccc23)cs1 1872776910 AGDMWMDRPFCNJF-UAPYWLNTSA-N 445.547 6.708 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1C 1872783287 VXKFYHCCZCGZTE-RHSMWYFYSA-N 445.371 6.378 30 10 IKEE CCCCC1CCC(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)CC1 1872789344 GOQSQTUTDZXTIO-HTWSVDAQSA-N 431.001 6.645 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2Br)C(=O)N(CCCCC)C1=O 1873071406 NAZXHUBBJWIAEF-UHFFFAOYSA-N 449.433 5.669 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2)C(=O)N(CCCOC(C)C)C1=O 1873159039 BHDWHZUZZVYLNJ-UHFFFAOYSA-N 428.617 5.312 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2)C(=O)N(CCCOCCCC)C1=O 1873159295 NEDDLUDZGRIVLD-UHFFFAOYSA-N 442.644 5.704 30 10 IKEE C=CCN1C(=O)C(Nc2cccc(OCC(C)C)c2)=C(c2ccc(Cl)c(Cl)c2)C1=O 1873187682 WGEPAOPEHAPXMT-UHFFFAOYSA-N 445.346 5.406 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C(C)=O)c2)=C(c2cccc(OC)c2)C1=O 1873218606 VWIZYUWOXNECMX-UHFFFAOYSA-N 448.563 5.450 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc([N+](=O)[O-])ccc2C)=C(c2ccccc2C)C1=O 1873305703 QCHXFANNYINDRV-UHFFFAOYSA-N 449.551 5.764 30 10 IKEE Cc1ccc(COc2ccc(/C=N/Nc3oc([C@@H]4C[C@@H]4c4ccccc4)nc3C#N)cc2)cc1 1873470446 IFAOSZGUAQCAFJ-NGRIDEQRSA-N 448.526 6.151 30 10 IKEE O=c1c(Cl)c(N/N=C/c2ccc(Cl)cc2)cnn1-c1ccc(Cl)c(Cl)c1 1873529248 PWACCVUEBXEOHC-GZIVZEMBSA-N 428.106 5.292 30 10 IKEE C=CCn1c(C(=O)N(CCCC)CCCC)cc2c(N(CCCC)CCCC)ncnc21 1873562199 RHNYXSCBVXDYFR-UHFFFAOYSA-N 441.664 6.066 30 10 IKEE CCOc1ccc(CCc2nnc(SC)n2/N=C/c2cccc3ccccc23)cc1OC 1874197253 AGOSPJDNYQCBOJ-YZSQISJMSA-N 446.576 5.228 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2C)n1/N=C/c1ccc(F)cc1F 1874250216 VBVQQVWVDRRVFX-VULFUBBASA-N 442.535 5.427 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2Cl)n1/N=C/c1cccc2ccccc12 1874266556 CEVWQWXTDLTJGH-VULFUBBASA-N 448.979 6.214 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccccn2)cc1C 1874319733 GDNLQVIHPDNCNS-MZJWZYIUSA-N 447.539 5.183 30 10 IKEE CCSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1ccc(N(CC)CC)cc1 1874330583 YSDGHXUKQZPKPZ-NLRVBDNBSA-N 435.641 5.521 30 10 IKEE Cc1cccc(CSc2nnc(CCOc3ccccc3)n2/N=C/c2ccccc2C)c1 1874344563 SYDHMKAOFNZRMY-OVVQPSECSA-N 442.588 5.691 30 10 IKEE Clc1ccc(CSc2nnc(CCOc3ccccc3)n2/N=C/c2ccccc2)cc1 1874347341 JBLUTSLVYHWHSZ-YZSQISJMSA-N 448.979 5.728 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(Cc3ccc(C)c(C)c3)nnc2SCC)cc1 1874357948 HSXIBVGFMBAJQC-NLRVBDNBSA-N 436.625 6.049 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2ccccc2C)c1 1874452671 HPTAOHPPTVOOSA-CVKSISIWSA-N 447.608 5.474 30 10 IKEE C=CCSc1nnc(C(F)(F)F)n1/N=C/c1ccc(N(CC)Cc2ccccc2)cc1 1874461745 DLVLKUSVGFQRNC-CVKSISIWSA-N 445.514 5.484 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1ccccc1OC(C)C 1874476374 MILZMWMOBIGDHM-WGOQTCKBSA-N 436.625 6.199 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)cc1Cl 1874590465 BVTRNBPWJAHDQJ-RUDMXATFSA-N 431.290 6.616 30 10 IKEE O=C(COc1ccccc1/C=C/C(=O)c1cc(Cl)ccc1Cl)NCc1ccccc1 1874591707 XYPMQVIFDGURTQ-JLHYYAGUSA-N 440.326 5.585 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(CC)cc3)cc2[N+](=O)[O-])o1 1874604862 IWTLHRQZHMSYIU-KPKJPENVSA-N 449.459 5.402 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)cc1C 1874607337 IYBBKNZMPGYOIG-GXDHUFHOSA-N 429.516 5.534 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OCC(=O)Nc1ccc(C)cc1 1874618381 XRIKOKYDHITLMV-GXDHUFHOSA-N 443.543 5.924 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(Cl)c(OCCc2ccccc2)c(OC)c1 1874620088 IHOPIHNPBANTEO-ZHACJKMWSA-N 436.935 6.183 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(OC)c1OCC(=O)OCC(C)C 1874634210 QCBHZVUIHSHSDD-CMDGGOBGSA-N 440.536 5.103 30 10 IKEE CCCCCCCCC(=O)Oc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OC 1874693107 NILOLINQUAXFCN-FYWRMAATSA-N 439.508 6.156 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(Cl)cc3)c2)cc1 1874695484 DTRMSRZGPXCADD-LZYBPNLTSA-N 448.946 6.807 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 1874701573 ZIYJSBTZAYEZRF-NTUHNPAUSA-N 447.443 5.117 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccc(OC(C)=O)cc2)c1 1874713385 TUVASBWYGRYMJC-MDWZMJQESA-N 444.483 5.353 30 10 IKEE CCCCCCC(=O)Oc1cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)ccc1OC 1874716709 FYMASMRPTBXDHB-FMIVXFBMSA-N 430.928 6.129 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc(F)c2)c([N+](=O)[O-])c1)c1ccc2ccccc2c1 1875095435 PGINRFAJCNRRBC-XYOKQWHBSA-N 441.414 6.002 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3cccc(OC)c3)cc2OC)cc1 1875104095 FZKMYRXYEONOQD-NTEUORMPSA-N 446.499 5.147 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccccn1 1875105674 HANPXFXPBFOYHI-WEVVVXLNSA-N 428.271 5.512 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3Cl)cc2OC)cc1 1875110511 OKZUMWACNATQAD-UKTHLTGXSA-N 436.891 5.401 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2)c1 1875122929 PBBCMMRSVVOCGM-CXUHLZMHSA-N 434.919 6.309 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1 1875123105 VZPBLUAAAAPEKL-LICLKQGHSA-N 426.899 6.537 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)COc1c(C)ccc(C)c1C 1875128854 YANFKPWQRVTGBK-FYWRMAATSA-N 444.527 5.891 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)[C@H](C)Oc1ccc(C(C)C)cc1 1875129382 ZDOLJQXBMWMVHY-QGRTWZNFSA-N 444.527 6.088 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)Cc1ccccc1F 1875132620 WLBXCBAVFDDANF-FMIVXFBMSA-N 438.882 5.840 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cccs3)c(Cl)c2)cc1F 1875152461 DSJIXYCHYNMKHJ-QPJJXVBHSA-N 430.884 5.593 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc3ccccc23)c(Cl)c1)c1ccc(F)cc1 1875158463 XEPMNZPNSIFCDI-RIYZIHGNSA-N 430.862 6.748 30 10 IKEE Cc1nc2ccc(C(=O)Oc3ccc(/C=C/C(=O)c4ccc(F)c(F)c4)cc3)cc2nc1C 1875161698 CNYZPJLFMSBPED-LFYBBSHMSA-N 444.437 5.640 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3c(C)cc(C)cc3C)cc2OC)cc1 1875184643 JPGODEZKSUDLGN-NTUHNPAUSA-N 444.527 6.134 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C)c(OC)cc3C)cc2)c1 1875187074 QMNKNYNXQDIAMN-DHZHZOJOSA-N 446.499 5.445 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1(C)C 1880059626 ROWPGDDWFMMSBE-UUOWRZLLSA-N 429.561 5.009 30 10 IKEE COc1ncc(Br)c(C)c1[C@H](C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1891464263 ALCFWUPQFKXDHZ-KRWDZBQOSA-N 446.345 5.163 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](C)CCC[C@@H](C)NC(=O)OC(C)(C)C 1922072473 VCEXXTNPTURWPN-KIFXHHALSA-N 432.649 5.847 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1930159638 UKDAEYTYQFBJDT-DVECYGJZSA-N 429.561 5.011 30 10 IKEE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 1944890144 GNVOUHYXHFKNCX-UUOWRZLLSA-N 429.561 5.357 30 10 IKEE CC(C)(C(=O)O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C#N)cc1 1951792801 DICAUANNDBXPOE-DEOSSOPVSA-N 440.499 5.249 30 10 IKEE N#Cc1ncc(Br)cc1NCCCN(Cc1ccccc1)Cc1ccccc1 1956495064 SRQOHLRLXZVBEU-UHFFFAOYSA-N 435.369 5.220 30 10 IKEE CC[C@@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)CN1C(=O)OC(C)(C)C 1996579952 QMMQONSMKFAZAB-KOSHJBKYSA-N 429.561 5.500 30 10 IKEE C[C@@H]1CC[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)[C@@H](OCc2ccccc2)C1 1998823445 ROSIPDWYDZTWOQ-WPWBMXPQSA-N 440.609 6.153 30 10 IKEE CC(C)(C)OC(=O)Nc1ccccc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2031834305 LGGINXDVKKYTJB-HXUWFJFHSA-N 441.503 6.179 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(Cc2ccccc2)CC1(C)C 2037428776 BSCFSVLWCDPJML-HHHXNRCGSA-N 433.596 5.931 30 10 IKEE O=C(C=Cc1cc(Cl)cc2c1OCOC2)c1cc(Cl)ccc1OCc1ccccc1 2053515593 BJLHGORFIZVQSD-UHFFFAOYSA-N 441.310 6.335 30 10 IKEE Cc1cc(Br)cc(Br)c1Oc1ccc(/C=N\O)cc1[N+](=O)[O-] 2060379463 BGMKTJQZWMQCII-IDUWFGFVSA-N 430.052 5.029 30 10 IKEE CCC#CC[C@H](NC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071347047 VMIKWMYSKRVNMT-LBNVMWSVSA-N 429.560 5.270 30 10 IKEE Cc1ccc([C@@H](C2CCC2)n2nc(C(C)C)c(C#N)c2I)c(C)c1 2079015943 CMQUHQABXNCUKV-LJQANCHMSA-N 433.337 5.489 30 10 IKEE CCc1ccc([C@H](C(C)C)n2nc(C(F)F)c(C#N)c2I)cc1 2079138641 XYDGIMONUJBSAR-HNNXBMFYSA-N 429.252 5.105 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(Cc2ccccc2)C2(CC2)C1 2104010945 YDUNOEUOSGJOKG-MHZLTWQESA-N 447.579 5.528 30 10 IKEE CCN[C@]1(C#N)C[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)CC2(CCC2)C1 2127160247 ZRDTYQCUXRFNQF-LMSSTIIKSA-N 444.667 5.215 30 10 IKEE CCCN(c1ccc(C#N)c(Br)c1F)C1CCN(Cc2ccccc2)CC1 2143600848 XUAXTKFZUFJGFJ-UHFFFAOYSA-N 430.365 5.341 30 10 IKEE CCCCCCCCCC[C@@H](NC)c1sc(Br)cc1Br 2164494966 ZHOIDJZWJUEXFI-CQSZACIVSA-N 425.274 7.064 30 10 IKEE CC(C)(C)OC(=O)NCCc1cccc(Nc2ccc(C#N)c(Br)c2F)c1 2204093706 CFEKZBAZNHDGEI-UHFFFAOYSA-N 434.309 5.271 30 10 IKEE O=C(C#Cc1ccccc1Br)c1c(Br)cccc1Br 2227477383 QKAFRPDZPMQLHZ-UHFFFAOYSA-N 442.932 5.209 30 10 IKEE C=CC[C@@H](C)[C@H](NCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229108481 XCCZSTOMNVSQPN-LZQZEXGQSA-N 425.411 5.075 30 10 IKEE C=CCCCC[C@H](NC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229125011 WZVMFURZTGGARK-OALUTQOASA-N 425.411 5.219 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCCC)c2c(F)cc(F)cc2Br)C1 2233952110 UDYAHQMVDFFTIL-KRWDZBQOSA-N 445.348 5.382 30 10 IKEE O=C(c1cc(Br)c(Br)cc1F)C(C(F)(F)F)C(F)(F)F 2233984249 CLOFADIJRJVKLL-UHFFFAOYSA-N 431.927 5.274 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Cl)cc(Cl)c1Cl 2235574439 FWWZVNGRRIPYHW-SJLPKXTDSA-N 433.807 5.994 30 10 IKEE CC(C)[C@H](C)N(Cc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(Cl)c1 2255765133 MAWGAFQJJIVRDW-SFHVURJKSA-N 441.808 5.326 30 10 IKEE CC(C)CN(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(C)C)c1 2267577055 PTPOSHSAGLDHNP-UHFFFAOYSA-N 435.417 5.408 30 10 IKEE C=CC[C@]1(COc2cc(C)c(N)cc2Br)CCCN1C(=O)OC(C)(C)C 2272243073 PYOKVZGNMCOLSB-HXUWFJFHSA-N 425.367 5.064 30 10 IKEE Cc1ccc(C(=O)N(Cc2ccccc2)CC2CCCCC2)cc1B1OC(C)(C)C(C)(C)O1 2282690290 TUSURTAUTFWMPH-UHFFFAOYSA-N 447.428 5.517 30 10 IKEE CCN1C(=O)C(=C2Sc3ccc(OC)cc3N2CC)SC1=Nc1ccc(F)cc1 2295213196 SVOJEHXKRCNGSE-UHFFFAOYSA-N 429.542 5.218 30 10 IKEE CN[C@H](C#Cc1ccccc1Cl)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2295227601 XBXXYIAWRWYKKW-LJQANCHMSA-N 449.776 5.762 30 10 IKEE COc1cccc(COc2ccc3c(c2C)OC(=Cc2cn(C)c4ccccc24)C3=O)c1 2296607385 CMIGNURCZBRVSR-UHFFFAOYSA-N 425.484 5.691 30 10 IKEE CCn1cc(C=C2Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc3C2=O)c2ccccc21 2296871950 NWXLOKJZBBIWKV-UHFFFAOYSA-N 443.886 6.150 30 10 IKEE O=C1NC(=Nc2ccccc2)SC1=Cc1ccccc1OCc1ccc([N+](=O)[O-])cc1 2297297086 FHXJVWVBTMCULZ-UHFFFAOYSA-N 431.473 5.065 30 10 IKEE CSc1ccc(C=NN2C(=S)SC(C)(C)[C@H]2N(O)C(=O)Nc2ccccc2)cc1 2297748003 OVIZWAHKNZVBBT-QGZVFWFLSA-N 446.623 5.104 30 10 IKEE CC[C@H](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 2303929836 GCWMZOCKEPPNDZ-AVYPCKFXSA-N 449.514 5.246 30 10 IKEE O=C1N=C(NN=Cc2ccccc2)SC1=Cc1ccc(-c2nc3ccccc3s2)o1 2314487745 RNOMBIHZBHHJMD-UHFFFAOYSA-N 430.514 5.150 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(OCC)cc2)SC1=Nc1nc(-c2ccccc2)cs1 2314543652 JLDFXFLIJVXZTC-UHFFFAOYSA-N 447.585 5.999 30 10 IKEE Cc1ccccc1C=C1SC(=NN=Cc2cccc([N+](=O)[O-])c2)N(Cc2ccco2)C1=O 2314840778 BONOSBDPPXMOPW-UHFFFAOYSA-N 446.488 5.003 30 10 IKEE Cc1ccc(COc2cccc(C=Nn3c(S)nnc3CCc3cccs3)c2)cc1 2321988221 GRGFBWWDCIOGTO-UHFFFAOYSA-N 434.590 5.183 30 10 IKEE COc1ccc(C=C2Oc3c(ccc4c3CN(Cc3cc(C)ccc3C)CO4)C2=O)cc1 2322170740 GMEDZQDUOZXWQN-UHFFFAOYSA-N 427.500 5.280 30 10 IKEE CN(C)c1ccc(C=C2Oc3c(ccc4c3CN(C3CCCCCCC3)CO4)C2=O)cc1 2322177528 BEHSMBKDZIZITE-UHFFFAOYSA-N 432.564 5.634 30 10 IKEE Cc1ccc(CCN2COc3c(cc4c(c3C)OC(=CC=Cc3ccccc3)C4=O)C2)cc1 2322436565 RITGUEYRMOUZDG-UHFFFAOYSA-N 437.539 5.870 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCc2c(Cl)cccc2Cl)cc1F 2322703677 GIBPUDHKEIUJAM-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC)c1OCc1ccccc1F 2322775003 XYAXLFYMINDMHS-UHFFFAOYSA-N 448.534 6.616 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2C)C3=O)c1 2322807038 NAZFXHWHSXTQJE-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCc2ccccc2)c(C)c1C 2322819405 PYHAOXKAQVFNDK-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(=O)c4cc5cc(Cl)ccc5o4)ccc3C2=O)c1 2322845553 DQKHDHYGXIMQIP-UHFFFAOYSA-N 446.842 5.930 30 10 IKEE CCOC(=O)c1ccc(COc2ccccc2C=CC(=O)c2cc(Cl)ccc2OC)o1 2323022222 YGQXMZZNGYDLQG-UHFFFAOYSA-N 440.879 5.593 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1OCc1ccccc1Cl 2323047416 CGKSYFZRKKVKTI-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE Cc1c(OC(=O)c2cccc([N+](=O)[O-])c2)ccc2c1OC(=CC=Cc1ccccc1)C2=O 2323310324 RWNYVEYYQXLEBZ-UHFFFAOYSA-N 427.412 5.295 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)Cc4cc(Cl)ccc4Cl)ccc3C2=O)c1 2323403973 GBTLDSLOCXBKRT-UHFFFAOYSA-N 439.294 6.066 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OCc1ccc(C)cc1 2323434552 GPWOGUZRTAIGHF-UHFFFAOYSA-N 426.556 6.748 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2ccccc2Cl)cc1Cl 2323603268 IFLAKBIKAQEMBW-UHFFFAOYSA-N 440.326 6.215 30 10 IKEE CCCCC(=O)Oc1cc(C)c2c(c1)OC(=Cc1cc(Br)ccc1OC)C2=O 2323744155 CIBZVXCQKMWXJG-UHFFFAOYSA-N 445.309 5.478 30 10 IKEE CCCOc1c(OC)cc(C=NNc2nc(-c3ccc(C)cc3C)cs2)cc1[N+](=O)[O-] 2323852698 SPGJIPPINHHOFN-UHFFFAOYSA-N 440.525 5.579 30 10 IKEE COc1ccccc1C=C1Oc2c(CN3CCCc4ccccc43)c(O)cc(C)c2C1=O 2324023806 JASVFVJXCGLKES-UHFFFAOYSA-N 427.500 5.278 30 10 IKEE Cc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1C)OC(=Cc1ccc(F)cc1)C2=O 2324412727 VACWBDMQWKIURK-KRWDZBQOSA-N 431.463 5.465 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(OCc4ccc(C#N)cc4)c3C)C2=O)c2ccccc21 2324757129 XMDZPKSBCWKPEX-UHFFFAOYSA-N 434.495 6.037 30 10 IKEE Cc1cc(C)c(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(Cl)cc3Cl)n2)c(C)c1 2324787740 LXNQJTBXTYHMFM-GOSISDBHSA-N 441.383 6.932 30 10 IKEE COc1ccc(C=C2Oc3cc(OCc4cccc5ccccc45)ccc3C2=O)c(OC)c1 2325272275 LVDBXTLYIOGMTR-UHFFFAOYSA-N 438.479 6.052 30 10 IKEE Cc1ccc(CCOc2ccc3c(c2C)OC(=Cc2cccc(Br)c2)C3=O)cc1 2325372660 GEGLKONULJQMBJ-UHFFFAOYSA-N 449.344 6.304 30 10 IKEE Cc1ccc(C)c(CSc2nncn2N=Cc2ccc(OCc3ccccc3)cc2)c1 2325655522 RJLAHCUUOQVRRL-UHFFFAOYSA-N 428.561 5.648 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(F)c(F)c2F)c1)c1cccc([N+](=O)[O-])c1 2325686393 MPLKLJRJKZLRPE-UHFFFAOYSA-N 427.334 5.127 30 10 IKEE COc1ccccc1CC(=O)Oc1cc(C=CC(=O)c2ccccc2Cl)ccc1OC 2325716670 AMIXWOCJCQQMCE-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cccc(OC(=O)c2ccccc2OC)c1 2325763509 ODQZKYYPMPQREL-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)c2)c(C)c1 2325764927 ORPFETWSYVOKOG-DNQXCXABSA-N 444.958 6.870 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccccc3C)c2)cc1Cl 2325767571 UKGNUOBURXRFKC-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE CCCSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1ccc(OC)cc1 2326399297 LVCQHBVUEZCPOT-UHFFFAOYSA-N 438.597 5.299 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccc([N+](=O)[O-])cc1 2326541101 VDJGRJUHYZWOFF-UHFFFAOYSA-N 445.932 5.111 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccccc1O 2326592323 NYNURQVDFJPAGE-UHFFFAOYSA-N 428.561 5.473 30 10 IKEE CCCCC1CCC(c2nnc(SCCO)n2N=Cc2ccc(OCCC)cc2)CC1 2328210621 FWXCJEVDABQRKB-UHFFFAOYSA-N 444.645 5.498 30 10 IKEE C=CCSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1ccc(N(CC)CC)cc1 2328568657 IZPFBJIHFWMVAJ-UHFFFAOYSA-N 449.624 5.274 30 10 IKEE Cc1cccc(CSc2nnc(COc3cccc(C)c3C)n2N=Cc2cccnc2)c1 2328828071 IFPAXZLUIRUCTO-UHFFFAOYSA-N 443.576 5.352 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccc(C)cc3)n2N=Cc2ccc(O)cc2)cc1 2329244192 LDDJXRNUSYHQNY-UHFFFAOYSA-N 444.560 5.066 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)cc3)n2N=Cc2ccccc2O)cc1 2329936219 ZRGNZDGNDDODAS-UHFFFAOYSA-N 428.561 5.366 30 10 IKEE CCCOc1c(C=Nn2c(SCCC)nnc2[C@@H](C)c2ccccc2)cccc1OC 2330125140 GOPTZKMDGPBWRZ-SFHVURJKSA-N 438.597 5.612 30 10 IKEE Fc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccccc2F)cc1 2330269931 ALEOLVZDUQYQDS-UHFFFAOYSA-N 426.536 5.854 30 10 IKEE Fc1ccc(CSc2nnc(-c3cccs3)n2N=Cc2ccc(Cl)cc2)cc1 2330540811 BRULASDHBDRWGV-UHFFFAOYSA-N 428.945 5.974 30 10 IKEE Cc1cccc(CSc2nnc(CC(C)(C)C)n2N=Cc2ccc(Cl)c(Cl)c2)c1 2330822005 ZAQDLIAJFDFIOQ-UHFFFAOYSA-N 447.435 6.656 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(OCC)c(OC(=O)C3CC3)c([N+](=O)[O-])c2)cc1 2330839926 YBEMGCIMTOZQLX-UHFFFAOYSA-N 437.492 5.548 30 10 IKEE O=C(COCc1ccccc1)Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1Cl 2330920344 DVSYFKCEIXHMOG-UHFFFAOYSA-N 441.310 6.012 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC(=O)CC(C)(C)C 2331046452 ZDRMXCQEGHGUHJ-UHFFFAOYSA-N 437.492 5.570 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)COCc1ccccc1 2331078020 NJAAUBDDTWTDLO-UHFFFAOYSA-N 446.499 5.112 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC(=O)C1CCCC1 2331240187 DKEUYDMROQESKG-UHFFFAOYSA-N 449.330 6.002 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3C)c(OCC)c2)cc1 2331309078 SWYPGKDJLRAKIR-UHFFFAOYSA-N 444.527 6.298 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccccc1C(=O)O 2331409119 WOTSARMAAMVUKM-UHFFFAOYSA-N 428.945 5.102 30 10 IKEE COc1ccccc1C=Nn1c(CC(C)C)nnc1SCc1cccc2ccccc12 2331463607 VDWUXWBKCPHDGI-UHFFFAOYSA-N 430.577 5.813 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OC(=O)c1ccc(Cl)cc1 2331484665 YGADPIDWHXSMGH-UHFFFAOYSA-N 442.898 6.617 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2cccc(Cl)c2)cc1C 2331673813 KPAXPVCNFOQHMM-UHFFFAOYSA-N 441.988 5.285 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)COc2ccccc2)cc1 2331753573 LNPXVULDWVRLSO-UHFFFAOYSA-N 436.891 5.538 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3cc(Cl)ccc3Cl)cc2)c(C)c1 2331764350 GLDWKTIEHFEMEL-UHFFFAOYSA-N 439.338 7.034 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1Cl 2331768619 AIHILYDHOOQCIA-UHFFFAOYSA-N 434.919 6.389 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)c1ccc(F)cc1 2331801400 GYOBWWSUAIQKRB-UHFFFAOYSA-N 446.518 6.556 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)CCOc3ccccc3)cc2)cc1C 2331835445 OLMYYJOFSWIIID-UHFFFAOYSA-N 430.500 5.583 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@@H](N)C#Cc2cccc(Br)c2)c(Cl)c1 2335927525 WITTYNNEDWBSKZ-SFHVURJKSA-N 435.749 5.501 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Br)c(Oc2c(F)cc(C#N)cc2F)c1 2344212964 HPESOGFLNDDOIX-UHFFFAOYSA-N 425.229 5.738 30 10 IKEE N#Cc1c(Cl)cccc1OCc1ccc(I)c(Br)c1 2349925766 QSYVUHAPCFBPSD-UHFFFAOYSA-N 448.485 5.158 30 10 IKEE CCCN[C@H](C#CC(C)(C)OC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2363527910 OMMRRDLZTDGFQG-QGZVFWFLSA-N 439.394 5.265 30 10 IKEE CC1(C)OB(c2ccc(Nc3cc(Br)ccc3Cl)c(C#N)c2)OC1(C)C 2364741279 KVJYFALZZKCXOT-UHFFFAOYSA-N 433.542 5.017 30 10 IKEE N#C[C@@]1(Cc2ccc(I)c(Br)c2)CCCCC12CCC2 2377408324 STPFKLLCIVPAQS-KRWDZBQOSA-N 444.154 5.850 30 10 IKEE CC(C)(C)OC(=O)N[C@@]1(C)C[C@H]2CC[C@H]1C[C@@]2(C#N)Nc1ccccc1Br 2381198509 VWIIMMUZDQMLKE-YQMDMEMYSA-N 434.378 5.227 30 10 IKEE C=CCOc1cccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccccn2)c1 35514689 KIGFNYQXACCDSB-QFIPXVFZSA-N 444.874 5.156 30 10 IKEE C=CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccc(C)cn2)cc1 35514812 XNRJPQLBHUTUFA-XMMPIXPASA-N 438.483 5.119 30 10 IKEE COc1c(Br)cc(CNc2ccc(Cl)c(C#N)c2)cc1Br 37282036 XQOGKLDTEGQLRY-UHFFFAOYSA-N 430.527 5.357 30 10 IKEE O=C1/C(=C/c2c(Cl)cccc2Cl)Oc2cc(OCc3cccc(Cl)c3)ccc21 38320965 YQTPJGAXHXAMIN-NHDPSOOVSA-N 431.702 6.842 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc3c2CN(CCc2cccs2)CO3)C1=O 41656403 KYXFROQPWJKZGC-UCQKPKSFSA-N 433.529 5.158 30 10 IKEE O=C(CSc1nc2ccc(/N=C/c3ccc(F)cc3)cc2s1)NC1CCCCC1 59462479 WSBAOTYMASEIOW-ZMOGYAJESA-N 427.570 5.727 30 10 IKEE Oc1ccccc1/C=N/c1cc(C(F)(F)F)ccc1Oc1ccccc1-c1ccccc1 59506976 VJFDDNFLIOKMDM-OCSSWDANSA-N 433.429 7.621 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2cccc(OCCC)c2)cc1 100230823 NWFLUAJJAVLDOQ-UHFFFAOYSA-N 428.598 5.951 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(N2CCC[C@H](C)C2)c1N 101514316 MUHISWRHSZLFFZ-QHCPKHFHSA-N 431.713 7.188 30 10 IKEE Cc1cc(N2C(=O)C(=O)/C(=C(\O)c3ccc(F)cc3)[C@@H]2c2ccc(Cl)c(Cl)c2)no1 102692000 SRBWSVMELFJEJV-VZCCSQPZSA-N 447.249 5.055 30 10 IKEE CCCC(CS)(CCC)COc1cc(Br)c(OC)cc1Br 125233930 SYJYPIYEJIKBGC-UHFFFAOYSA-N 440.241 6.115 30 10 IKEE O=C1C=CC(Br)=C/C1=C\Nc1nc(-c2ccccc2)cn1/N=C/c1ccccc1 137672562 TWGBGZNMBMMTQK-LARSIHHNSA-N 445.320 5.146 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)NC(=O)c1cc([N+](=O)[O-])cnc1C 140939650 OAEACZVUZQHEEY-UHFFFAOYSA-N 447.620 6.816 30 10 IKEE COc1cc(/C=N/Nc2ccc(C)c(Cl)c2)ccc1OCc1ccc(Cl)cc1Cl 169879401 BMOLBLFKONGWBR-RPPGKUMJSA-N 449.765 6.989 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2cccc(C)c2)c1 169930717 WFVZNCOLDIWROU-SANMLTNESA-N 449.506 5.940 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccc(C)c(C)c2)c1 169932918 UEZKQNQGAGDPSX-OAQYLSRUSA-N 448.544 5.168 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2cccc(C)c2)cc1C 169969879 GZFORFICOHOLLP-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccs1 169984698 NVNUVTIEDZPXLE-IBGZPJMESA-N 444.339 6.146 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2cccs2)cc1 169985233 ZSBVCAISRDNEQD-GOSISDBHSA-N 440.546 5.003 30 10 IKEE CCCCc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccccn2)cc1 169993750 PXPNNGZLNYBERR-AREMUKBSSA-N 440.543 5.526 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccccn2)cc1Cl 169996270 ZQNIUUNVCGMUJN-JOCHJYFZSA-N 443.890 5.308 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccc(F)cc2)cc1 170061787 MEXGMIACBJMRRI-QHCPKHFHSA-N 431.463 5.180 30 10 IKEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@@H]1c1ccccc1F)c1ccc(Cl)cc1 170072843 YPWOXMFSHUXGMD-HXUWFJFHSA-N 447.853 5.138 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@@H]1c1cccc(O)c1 170080747 RZDQFLHKZYCFOL-XMMPIXPASA-N 443.499 5.109 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2ccc(F)cc2)c1 170140730 IHPLMGNEOAPFNY-GYCJOSAFSA-N 443.474 5.240 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(C(F)(F)F)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170140894 YOTQLRVSUKABGX-UHFFFAOYSA-N 447.416 5.282 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccccn1)c1cccc(Cl)c1 170173919 WYFLZHBBQWJMQE-IBGZPJMESA-N 425.271 5.171 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1cccnc1 170188806 QAGCUEFOZBKSDX-OAQYLSRUSA-N 448.906 5.143 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccncc2)c1 170202179 IOIHDSLSLGXFRS-XMMPIXPASA-N 442.515 5.270 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3cc(OC)ccc3Cl)=C(O)C(=O)N2CCC)cc1 170215743 XPTQGGYRSIOTPM-NRFANRHFSA-N 443.927 5.126 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(O)c(Cl)c1 170219808 BPUUIMCLBVQCBB-QFIPXVFZSA-N 435.907 5.577 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccc2)c1 170223969 ISCOJPIKPXWNOC-XMMPIXPASA-N 427.500 5.567 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2F)cc1 170249150 RSWFREGWOPSWSN-QHCPKHFHSA-N 431.463 5.397 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1c(C)[nH]c2ccccc12 170311995 WUZORRMBMBBBEO-VWLOTQADSA-N 438.527 6.008 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2sccc2C)cc1C 170312693 QZKJGRARQGWEIY-IBGZPJMESA-N 439.558 5.214 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(C(C)(C)C)cc2)c1 170329675 DHFGOHJDJYRWAG-QFIPXVFZSA-N 447.556 5.837 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2cccc(OC(C)C)c2)cc1 170475282 WTRXCPKLLGVBGN-QHCPKHFHSA-N 447.487 5.248 30 10 IKEE CC1=C(Br)C(=O)/C(=C2/C[C@@H](c3ccccc3)Sc3ccccc3N2)C(=O)O1 205742490 CNISHORTVUPOGH-XMGGNUPJSA-N 442.334 5.342 30 10 IKEE O=C(C[C@H]1SC(=Nc2ccccc2)N(c2ccccc2)C1=O)c1ccc2c(c1)CCCC2 252593152 BJKOPLOZQDQIOT-RUZDIDTESA-N 440.568 5.975 30 10 IKEE CCc1ccccc1N=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C(=O)N1C 254307056 FPTGZPMOTJGPMO-APPGCKKWSA-N 447.516 5.959 30 10 IKEE Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)ON=C(c1ccc(F)cc1)C1CC1 254790365 CLHDWZZNMINJLI-UHFFFAOYSA-N 433.266 6.067 30 10 IKEE CCN=c1scc(-c2cccc(Br)c2)n1N=Cc1ccc(C(C)C)cc1 263630988 SQIYLTXNKBJZOZ-UHFFFAOYSA-N 428.399 5.905 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Br)ccc1F)NCCC 406723185 VENXZWAMHYLZFG-RBUKOAKNSA-N 443.401 5.358 30 10 IKEE CSc1nc(O)c(C(=O)Nc2nc(-c3cccc4ccccc34)c(C)s2)cc1C#N 428754901 ULBUOZKJALFNGJ-UHFFFAOYSA-N 432.530 5.218 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(C)o2)cc1OC 526488889 ROYINXNDGUHPPI-XMMPIXPASA-N 444.487 5.314 30 10 IKEE CCOc1ccc(/C=N\n2cnnc2SCc2ccc(C(C)(C)C)cc2)cc1OCC 526805013 CIVXJMNAIHJCIW-YSMPRRRNSA-N 438.597 5.548 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1cccc(OC(C)C)c1 526814066 JQKJZVPZKWBUEQ-MSXFZWOLSA-N 449.407 6.109 30 10 IKEE CCc1ccccc1N(Cc1cccc(C#N)c1)S(=O)(=O)c1cc(C)c(C)cc1OC 586215268 GNQVDCOZGXOYPW-UHFFFAOYSA-N 434.561 5.142 30 10 IKEE CCOc1ccc(N(CCCC#N)S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1OCC 586252098 RZICOYTXHDNPQY-UHFFFAOYSA-N 444.597 5.281 30 10 IKEE CCOc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2ccc(Cl)cc2C)cc1 586254073 PGGYLZHUNAVYBF-UHFFFAOYSA-N 440.952 5.314 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C1(C)C 693741688 RTVOAMSYSYNXFL-ZBLHWPFVSA-N 435.609 5.340 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1cccc(Cl)c1F 698455941 MFQUSOGXOFMOPV-MRXNPFEDSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@H](C#N)c1cccc(OCc2ccccc2)c1 698849020 DPNREOIRAYTIMS-XMMPIXPASA-N 432.495 6.411 30 10 IKEE 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)C1CCCCCC1 698873299 IRLXCVPAKMILDY-OAWZGRKZSA-N 447.620 5.484 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2ccc(I)cc2)cc1 698986889 KQXJZRGZVDTWKI-SFHVURJKSA-N 448.304 5.606 30 10 IKEE CSCc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)cc1 724750043 FIQAKTMFBBPFHQ-IBGZPJMESA-N 447.398 6.318 30 10 IKEE COC(=O)c1cccc(N=Cc2ccccc2OC(=O)c2sc3ccccc3c2Cl)c1 1084226720 PKTNLZJPWBEJNO-UHFFFAOYSA-N 449.915 6.311 30 10 IKEE CCOc1cc(C=NNCc2ccccc2OC)cc(Cl)c1OCc1ccccc1C#N 1084459167 DWRQUZFAWPOAAI-UHFFFAOYSA-N 449.938 5.322 30 10 IKEE CC(C)(C)c1ccc(CSc2n[nH]c(NN=C(c3ccccc3)c3cccs3)n2)cc1 1084498446 ALIVPWHBKUMGMG-UHFFFAOYSA-N 447.633 6.321 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(-c3ccccc3)o2)SC1=Nc1nc2ccccc2s1 1772725106 WBGXWLGSMCDBHF-POLMPROESA-N 443.553 6.346 30 10 IKEE CN1C(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)SC1=Nc1nccs1 1772733703 AWIFUTQWMIHOHE-YIFJCWOOSA-N 441.965 5.609 30 10 IKEE O=C1/C(=C/c2ccc(F)cc2)SC(=NN=C/C=C/c2ccccc2)N1Cc1ccco1 1772759005 IZTCHOWDWBLWMD-XEPCRBBBSA-N 431.492 5.590 30 10 IKEE CC[C@H](C)N(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)c(Cl)c1 1859900315 MJFHGXGQZNORID-JTQLQIEISA-N 441.774 6.962 30 10 IKEE CCCCCCCCCOc1ccc(NC(=O)/C=C/c2cc(OC)ccc2OC)cc1 1860156836 HLBWWVJPJYPFRK-WOJGMQOQSA-N 425.569 6.485 30 10 IKEE O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(c1cccc(F)c1)C1CCCCC1 1860424368 YDGISAAHBRJGSX-UHFFFAOYSA-N 433.367 6.843 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc(OCC)cc1 1861363339 HIHUXFLRFIISAV-DEOSSOPVSA-N 442.575 5.042 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)c1ccc2nc(CCC)[nH]c2c1 1861456346 VGGWIKYZCWTXOL-HSZRJFAPSA-N 440.632 5.377 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@@H]1c1ccccc1)c1ccc(F)cc1F 1862412538 HKPMHYKJXIEEDB-JOCHJYFZSA-N 425.475 5.656 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CCCCCC2)cc1 1862414212 UXVLSDVQTWXNFO-HSZRJFAPSA-N 439.502 5.828 30 10 IKEE CCOc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCCCC2)ccc1O 1862480026 VZRNZUYWFZACJT-DEOSSOPVSA-N 449.547 5.400 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)c1 1862491296 PJRSHHZLOLVZJK-MHECFPHRSA-N 445.946 6.296 30 10 IKEE COc1cc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCCCC2)ccc1O 1862492603 VVKOTQMTVOYXSQ-XMMPIXPASA-N 449.547 5.319 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc2cc[nH]c2c1 1862596943 XECSDHGALMXFRU-YCASGBEESA-N 430.504 5.031 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCOC(C)C)c1 1862614028 WEOYNBHGTGESIS-HSZRJFAPSA-N 435.564 5.296 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2cccc(C)c2)cc1 1862687298 ITLATXQKEFBUQX-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2ccccc2F)cc1 1862688411 WBNFMCOQGMVFBZ-XMMPIXPASA-N 445.490 5.045 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccccc3Cl)C2=O)cc1C 1863069548 UDWAVUOLESSXEF-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3cccs3)C2=O)cc1 1863106478 QXJGMUMQBFBHLH-UHFFFAOYSA-N 427.529 5.314 30 10 IKEE COc1ccc2c(c1)CCN(c1cc(Nc3ccc(C#N)cc3)nc(-c3ccccc3)n1)[C@H]2C 1868377075 VSYPGYPDGFDRDH-IBGZPJMESA-N 447.542 5.891 30 10 IKEE C=CCn1cc(OCCCCCCC)c(=O)cc1CSCCc1nc2ccccc2[nH]1 1870251885 VPTKTKOOPIYSDV-UHFFFAOYSA-N 439.625 5.736 30 10 IKEE C=CCn1cc(OCCOc2ccc(C(C)(C)C)cc2)c(=O)cc1CSc1ccccc1 1870310583 BJUNGSQCZSYKQA-UHFFFAOYSA-N 449.616 6.082 30 10 IKEE CCCCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CN1CCN(CC)CC1 1870613808 OMMLPIALMFUISI-UHFFFAOYSA-N 445.692 5.472 30 10 IKEE CCCCCCCCCCn1cc(OCCCCCC)c(=O)cc1CN1CCC(O)CC1 1870673306 DPNCUSDFNBBGHM-UHFFFAOYSA-N 448.692 5.905 30 10 IKEE COc1ccc(CC(=O)Oc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1OC 1871374732 XGPGCKGEICIPOR-FYPXMSKISA-N 442.467 5.024 30 10 IKEE Cc1c(Cl)cccc1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O 1871406061 HFYKPEIYXXNHGE-HKMXWPIPSA-N 439.920 5.732 30 10 IKEE Cc1ccc(OCCOc2ccc3c(c2C)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)cc1 1871406537 QPVNUWYEFYZBAT-ITYLOYPMSA-N 442.555 6.675 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OCCCOc4ccc(OC)cc4)c3C)C2=O)cc1 1871415636 MFKZCHJRNLILJI-UQQQWYQISA-N 446.499 5.476 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(F)c(F)c2)ccc2c1O/C(=C\c1ccc(F)cc1)C2=O 1871443279 NEWZWKDHWZLQLV-FBHDLOMBSA-N 439.389 5.046 30 10 IKEE CCCCCCCCN=c1nc(N2C[C@@H](C)C[C@@H](C)C2)[nH]c(=Nc2ccccc2CC)[nH]1 1871559219 OHDMDNGMFAMJJC-OYRHEFFESA-N 438.664 5.276 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1cccs1 1871836548 VVWQIPAQVYLKKH-FQEVSTJZSA-N 434.627 5.246 30 10 IKEE C=C(C)CN([C@H](CC)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872450747 JYRUWUVKJGWBOM-XMMPIXPASA-N 442.625 5.411 30 10 IKEE N#Cc1ccc(N2CC(=O)C(c3nc(-c4ccccc4)c(-c4ccccc4)s3)=C2N)cc1 1872726426 WGLQZXYBDMNOQC-UHFFFAOYSA-N 434.524 5.065 30 10 IKEE CCCCC1CCC(C(=O)[C@H](C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)CC1 1872759652 VHOVNGLHKJLANZ-VZTJNBFISA-N 442.628 7.650 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(C)cc3C(C)(C)C)n2)cc1 1872767959 GBZAPGVWQKPWCF-HXUWFJFHSA-N 448.588 6.070 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(Cl)ccc2Cl)=C(c2cccnc2)C1=O 1873269567 WYEUXVQJRXXFKG-UHFFFAOYSA-N 446.378 5.941 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Cl)cc2Cl)=C(c2cccc(Cl)c2Cl)C1=O 1873341664 MGNLWHCJAUUAOT-UHFFFAOYSA-N 442.129 5.678 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc2c(N3CCCC3)ncnc21 1873650850 YVBFQUPCHGDSBL-UHFFFAOYSA-N 449.864 5.142 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccc(OCC(C)C)cc3)c(=O)oc2c1C 1873952817 OVRCHIAVZKTYED-UHFFFAOYSA-N 449.547 5.581 30 10 IKEE CCOc1ccccc1OCc1nnc(SCc2ccccc2)n1/N=C/c1ccco1 1874241376 CYSKVXIPGKUZPZ-BUVRLJJBSA-N 434.521 5.023 30 10 IKEE CCCCC1CCC(c2nnc(SCC)n2/N=C/c2ccc(OC)cc2OC)CC1 1874285396 YQNKIZCXGOJEJI-LFVJCYFKSA-N 430.618 5.754 30 10 IKEE C=CCSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1ccccc1OCCC 1874321360 NTZXIIGBXGHILQ-PCLIKHOPSA-N 436.581 5.423 30 10 IKEE Cc1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SCc2ccc(C)cc2)cc1 1874372970 AWHGUYSEDSFMAH-JVWAILMASA-N 430.552 5.799 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cc(C)ccc3C)n2/N=C/c2ccccc2C)cc1 1874389315 MVLHAJDUZOPBKF-OGLMXYFKSA-N 440.616 6.277 30 10 IKEE CCCSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874399135 ICROFTTYBZEAOZ-WQEJZQBCSA-N 430.961 5.182 30 10 IKEE Cn1cccc1/C=N/n1c(Cc2cccs2)nnc1SCc1ccc(Cl)cc1 1874413823 MSHXEISDRUAHBQ-LPYMAVHISA-N 427.986 5.097 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2[C@@H]2CCCO2)c1 1874451230 UYYUOCJANHBROZ-IBUSPFOHSA-N 436.581 5.320 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SCCC)nnc2C(F)(F)F)cc1OC 1874462508 XHDDZJSYYAYDQQ-YDZHTSKRSA-N 430.496 5.259 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C(F)(F)F)cc1 1874462859 ILEAFGMRXGNNHY-KTZMUZOWSA-N 449.260 5.917 30 10 IKEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1c[nH]c2ccccc12 1874477177 NMEGDZGSBNUNKV-ZVHZXABRSA-N 434.525 5.185 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1/N=C/c1ccc(C)cc1 1874478406 YLODNBVNGCNVOM-MFKUBSTISA-N 435.597 5.159 30 10 IKEE COCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccccc1F 1874506100 NPSJWIKKFYGNNE-LSFURLLWSA-N 425.316 5.045 30 10 IKEE CCOc1c(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C(C)C)cccc1OC 1874515568 FRQYHURPNYSNCW-ZMOGYAJESA-N 444.988 5.637 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(SCc2c(F)cccc2Cl)nnc1C1CC1 1874523092 VEPJTOCTHMEXLD-BRJLIKDPSA-N 444.963 5.910 30 10 IKEE CCCNC(=O)COc1c(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cccc1OC 1874570423 YGEVAAGBJKPPOX-WUKNDPDISA-N 429.516 5.163 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2ccc(C)c(C)c2)cc1 1874572468 ONPMMYQBGPTDMZ-JQIJEIRASA-N 443.543 5.788 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(OC)cc1 1874575827 ISPJFPLMQVQAGH-GXDHUFHOSA-N 449.934 5.825 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2cc(Br)ccc2OCCc2ccccc2)cc1 1874583578 VEMAMDPRYRZCCK-WYMLVPIESA-N 449.388 7.090 30 10 IKEE CCCN(CCC)C(=O)COc1ccccc1/C=C/C(=O)c1cc(C)c(Cl)cc1OC 1874589635 WMDRZRLDICJTIK-VAWYXSNFSA-N 443.971 5.581 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OCC(=O)N[C@H](C)c3ccccc3)c2)cc1 1874596483 PNVWRBDKBAMJBW-KEWOFRHOSA-N 429.516 5.238 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OCc1ccc([N+](=O)[O-])cc1 1874597532 RLIDTJAYKKLNPF-MKMNVTDBSA-N 431.488 6.202 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OCC(=O)Nc3cc(C)ccc3C)c2)cc1C 1874601199 YMCGHHREYWRJCD-VAWYXSNFSA-N 443.543 5.842 30 10 IKEE O=C(/C=C/c1ccc(OCc2nc(O)c3ccccc3n2)cc1)c1ccc2c(c1)CCCC2 1874604142 XJKHBRUSQULMJE-LFIBNONCSA-N 436.511 5.689 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cc1 1874604205 ALKBTXKFXRJYAV-UKTHLTGXSA-N 437.898 5.955 30 10 IKEE Cc1cccc(COc2ccc(/C=C/C(=O)c3ccc(Cl)cc3Cl)cc2Cl)c1 1874605692 AORPZHRQCYLWME-WEVVVXLNSA-N 431.746 7.430 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1C 1874607027 RXMBVXVLXZEFPX-BJMVGYQFSA-N 437.879 6.040 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(C)cc1 1874616259 QBEXUJURRKZGSD-YRNVUSSQSA-N 427.327 6.786 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OCc3c(F)cccc3Cl)c([N+](=O)[O-])c2)c1 1874617991 DKJYPFOFMOGMSV-CSKARUKUSA-N 439.870 6.479 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc(OC)c1OCc1ccccc1 1874622447 YUUSETQBRPSOFA-ZRDIBKRKSA-N 442.511 5.670 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(OC)c1OCc1cccc(C)c1 1874624110 MQVHTDLQEPKSIN-NTEUORMPSA-N 430.544 6.611 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OCC(=O)Nc1ccccc1 1874631710 QDDJFYNNEJZMMV-ACCUITESSA-N 445.515 5.234 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc(OC)c1OCCCO 1874634063 JOHGEBIAQJTJFK-CMDGGOBGSA-N 430.928 5.051 30 10 IKEE O=C(Cc1ccc(Cl)c(Cl)c1)Oc1cccc(/C=C/C(=O)c2ccccc2Cl)c1 1874697056 SFZSKXMZNVLGDX-PKNBQFBNSA-N 445.729 6.691 30 10 IKEE CCc1ccccc1OCC(=O)Oc1cccc(/C=C/C(=O)c2cc(C)ccc2OC)c1 1874704398 NENSUBRWSVMIDP-BUHFOSPRSA-N 430.500 5.447 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccccc2F)c1 1874710252 YJJVQAOENTZTNF-WYMLVPIESA-N 432.491 6.247 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCCOc3ccccc3)c2)c(C)c1C 1874711490 ARHZPSPJHMJNAM-JQIJEIRASA-N 444.527 5.973 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC(=O)[C@H](C)c2ccccc2)c1 1874715876 PUXSJIKKVJBYJA-RLHAVTDZSA-N 426.556 6.898 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccccc2)CSc2nnc(Cc3ccccc3)n21 1874957265 WKSSUHCVGJILAU-HSZRJFAPSA-N 448.636 5.931 30 10 IKEE CCCCCCCCC(=O)N1[C@H](C)CSc2nnc(CCc3ccccc3Cl)n21 1875054442 DTPKRFHDSNNJGF-QGZVFWFLSA-N 435.037 5.426 30 10 IKEE O=C(Cc1ccccc1[N+](=O)[O-])Oc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1 1875096851 INVKXJLGDLPNCA-LFIBNONCSA-N 441.483 5.518 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1ccccc1Cl 1875098497 CNEGODBSJSDECE-GXDHUFHOSA-N 446.930 6.343 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)ccc1OC(=O)c1ccc(N(C)C)cc1 1875100509 FKMSHVJBBGXMFX-OQLLNIDSSA-N 445.515 5.275 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)CCOC)c(OC)c2)cc1 1875105872 QGAHVKDAQUHGSH-FMIVXFBMSA-N 430.928 5.529 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1F 1875153064 ZGMTUOFSYQZIDR-ONNFQVAWSA-N 445.273 6.256 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2Cl)cc1C 1875158357 RBVDRZNUQHCABQ-NYYWCZLTSA-N 438.882 5.976 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)c1ccccn1 1875159829 MSLPYHULKWIOCE-IZZDOVSWSA-N 425.843 5.388 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)c(OC)cc2OC)ccc1OC(=O)C(C)(C)C 1875174187 DVRCWIUBAJFHII-CSKARUKUSA-N 446.927 5.604 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccccc3)cc2)c(OCC)c1 1875178071 RRLOXVGUVPSIFC-SFQUDFHCSA-N 446.499 5.365 30 10 IKEE C=CCCCCC[C@@H](N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875689736 LIEHUCLLDOILOY-GGXMVOPNSA-N 445.603 6.342 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1922065860 PKMJDYXVWHQVRC-NHYNNZIHSA-N 428.617 5.306 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C 1922079597 HCEIMAHHKAOLAG-VXNXHJTFSA-N 430.633 5.601 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)C[C@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1929950112 PSJGLRULVXUBJB-OSWQYVSFSA-N 443.588 5.351 30 10 IKEE C[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)CCN1Cc1ccccc1 1949376816 FHMDDOXLFYZNCS-QFQXNSOFSA-N 425.617 5.893 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@]1(C#N)CCCC[C@@H]1OCc1ccccc1 1977479036 FYBBBPIECOFECD-URXFXBBRSA-N 426.582 5.907 30 10 IKEE C[C@@H]1CC[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)[C@H](OCc2ccccc2)C1 1977491854 RUGMZTKBFCIWGM-HGHGUNKESA-N 426.479 5.454 30 10 IKEE CN(CC[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1)C(=O)OC(C)(C)C 1980080705 PMGPUOXLLBBLAY-JOCHJYFZSA-N 437.968 5.621 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@]1(C#N)CCCC[C@@H]1OCc1ccccc1 1998819218 RKLSJKYHUWEISU-DHLKQENFSA-N 440.971 6.503 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@H](C#N)[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C 2020783996 DGFTZBQIENDWSM-IAGOWNOFSA-N 443.535 5.093 30 10 IKEE CC(C)[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)CN1Cc1ccccc1 2029763905 NRYBVURUDWNVHV-ZEQKJWHPSA-N 437.559 5.760 30 10 IKEE CCC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(OC)cc1 2033624884 WWLSBBFUDWXSJU-PXNSSMCTSA-N 447.576 5.270 30 10 IKEE C=CCC[C@@H](C)[C@H](NCCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2040523453 VSGWRZMPWTYNMD-VWNXMTODSA-N 443.676 5.516 30 10 IKEE COc1cc(C(=O)C(=Cc2ccc(F)cc2)c2nc3ccccc3o2)cc(OC)c1OC 2040779954 YFCXOURGOFDMKA-UHFFFAOYSA-N 433.435 5.416 30 10 IKEE CC=C1C(=O)[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCC(=O)OC)[C@@]2(C)CC[C@H](O)C[C@H]12 2054110566 SXDZXAFUWCERDJ-NFMVCDMISA-N 430.629 5.331 30 10 IKEE Cc1ccc([C@H](n2nc(C3CCC3)c(C#N)c2I)C(C)(C)C)c(C)c1 2079038303 YEXMVSPHRLPGMZ-IBGZPJMESA-N 447.364 5.879 30 10 IKEE Cc1ccc([C@@H](n2nc(C(F)(F)F)c(/C=N/O)c2Br)C(C)(C)C)c(O)c1 2079042569 MTPLHMKPYVXUCE-UCBNSMMZSA-N 434.256 5.122 30 10 IKEE CCCOc1ccc([C@@H](C2CC2)n2nc(C3(C)CC3)c(C=NO)c2Br)cc1 2080070569 FCCQDLVCZRIOCK-GOSISDBHSA-N 432.362 5.293 30 10 IKEE CCOc1ccc([C@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C(C)(C)C)cc1 2080103095 DJMORLKHKDGAAH-SFHVURJKSA-N 434.378 5.539 30 10 IKEE Fc1ccc(-c2c(C(F)(F)F)nn([C@H]3CCOC3)c2Br)c(C(F)(F)F)c1 2080796796 ANIKMWYTZMHKKG-QMMMGPOBSA-N 447.148 5.451 30 10 IKEE CC(C)c1nn2c(Cl)cc(-c3cc(C(F)(F)F)cc(Br)n3)nc2c1C#N 2081264368 IBXZATTWMPEYIZ-UHFFFAOYSA-N 444.642 5.221 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@](C)(C#N)C1CCC(F)(F)CC1 2158477352 KMFRRGAQYCLJNW-IBGZPJMESA-N 443.332 6.298 30 10 IKEE CCC[C@]1(CNc2ncc(Br)cc2C#N)CCCCN1C(=O)OC(C)(C)C 2162409064 CYIVRACUDFMPRH-HXUWFJFHSA-N 437.382 5.088 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@@H]2Nc2cc(Br)cc(F)c2C#N)C1 2163689448 GFNDIVOJDLVPAY-FXAWDEMLSA-N 438.341 5.051 30 10 IKEE CC1(C)CCC[C@@H]([C@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)C1 2168592824 RJAXDHBRYDPKGI-ZHRRBRCNSA-N 435.406 6.689 30 10 IKEE C=CCCCC[C@H](NCCC)[C@@H](O)c1cc(Br)c(Br)s1 2179676015 BTVLNPNNPLHYRJ-GXTWGEPZSA-N 425.230 5.421 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)Nc2ccc(CC#N)cc2)c1 2181051768 ACEFQHUNPZIXKB-UHFFFAOYSA-N 430.302 5.114 30 10 IKEE O[C@@H](C#Cc1ccccc1Br)c1c(Br)cccc1Br 2227486676 QFERYSDXJJGBDM-AWEZNQCLSA-N 444.948 5.059 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)C#Cc1cccc(Cl)c1 2231102680 GZGBIGZMFSQWNA-UHFFFAOYSA-N 434.717 5.684 30 10 IKEE CCCCCCCCC[C@@H](N)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248454054 OWZJIQDHMQWBCF-HSZRJFAPSA-N 432.649 5.908 30 10 IKEE CCCCC#CC[C@@H](NCCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2256704484 VSURNZBACQEKET-XMMPIXPASA-N 442.644 5.392 30 10 IKEE CCCCCCCCOc1ccc(C=C2SC(=S)N(c3cccc(F)c3)C2=O)cc1 2296020939 KOMWUKLLSHXKFC-UHFFFAOYSA-N 443.609 6.971 30 10 IKEE CN(C(=O)OC(C)(C)C)C1(C[C@@H](N)C#Cc2cccc(Br)c2)CCCCC1 2296280361 ZOVDNVMFWKBITF-IBGZPJMESA-N 435.406 5.088 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(F)c([C@H](N)C#Cc2cccc(Br)c2)c1F 2296283483 HIPZRWZVSBGSPV-OAHLLOKOSA-N 437.284 5.126 30 10 IKEE Cc1c(C=C2SC(=Nc3ccc(Br)cc3)NC2=O)c2ccccc2n1C 2297461558 GJHBLPQKXMSBEU-UHFFFAOYSA-N 426.339 5.141 30 10 IKEE COc1c(Cl)cc(Cl)cc1C=CC(=O)c1ccc(NC(=O)c2cccs2)cc1 2297604881 XSTGOLXPXOQCTD-UHFFFAOYSA-N 432.328 6.212 30 10 IKEE O=C(C=Cc1ccc(Br)cc1)c1ccc(N=Cc2c[nH]c3ccccc23)cc1 2313533953 AZTYMGXTIWERII-UHFFFAOYSA-N 429.317 6.577 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccccc1Br)C2=O)c1ccccc1F 2314437578 QEQRYBGCPDYLAB-UHFFFAOYSA-N 439.236 5.424 30 10 IKEE CC(C)(C)c1cc(C=Nn2c(S)nnc2-c2ccccc2Cl)cc(C(C)(C)C)c1O 2321993300 HCUADBUAXFHUDE-UHFFFAOYSA-N 443.016 6.070 30 10 IKEE COCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(-c2ccccc2)cc1)C3=O 2322016627 RRNWVPUTOMRIQU-UHFFFAOYSA-N 441.527 5.467 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(-c4ccccc4)cc1)C3=O)CN(Cc1ccco1)CO2 2322307879 HYRYBNVBWZKTQN-UHFFFAOYSA-N 449.506 6.223 30 10 IKEE Cc1cc(OC(=O)c2cc3cc(Cl)ccc3o2)cc2c1C(=O)C(=Cc1ccncc1)O2 2322847260 NJEFIYIUUBUPDZ-UHFFFAOYSA-N 431.831 5.625 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccccc2)cc1Cl 2322974147 GFCWMZGKUXBSHO-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2cccc(OCc3ccc(C)cc3)c2)cc1 2323226183 BZOZBPQZKIFHTK-UHFFFAOYSA-N 442.599 7.819 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)NC3CCCCC3)c(Cl)c2)cc1C 2323561424 PYLFJWDHCHSGBM-UHFFFAOYSA-N 441.955 5.381 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 2323791054 HBUZUVQTRGJVFD-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE Cc1c(OC(=O)c2cccc(OC(C)C)c2)ccc2c1OC(=Cc1cccc(Cl)c1)C2=O 2323812664 QQXKHENDZCOPNE-UHFFFAOYSA-N 448.902 6.271 30 10 IKEE CCOc1cc(C=NNc2nc(-c3cccc(OC)c3)cs2)cc(Cl)c1OC(C)C 2323840555 REOXWTLEQXHBKE-UHFFFAOYSA-N 445.972 6.104 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OCCO)c([N+](=O)[O-])c2)cc1 2324209821 SHFSXJAEDWJMGQ-UHFFFAOYSA-N 427.497 5.211 30 10 IKEE CCCCOC(=O)COc1cc(C)c2c(c1)OC(=Cc1cccc(Br)c1)C2=O 2324293569 AJAMBMNJXWUPJT-UHFFFAOYSA-N 445.309 5.096 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccc(C)c(Cl)c4)ccc3C2=O)o1 2324352061 DDUOIIGDYKNGIP-OAHLLOKOSA-N 437.879 5.572 30 10 IKEE COc1cc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3C)cs2)cc(OC)c1OC 2324522173 YLMIRRAXIVNLSK-IBGZPJMESA-N 448.544 5.342 30 10 IKEE Cc1cccc(OCCCCOc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)c1 2324571062 USHUHCBYZKBJRX-UHFFFAOYSA-N 434.919 6.503 30 10 IKEE Cc1cccc(OCCCCOc2cc(C)c3c(c2)OC(=Cc2ccc(F)cc2)C3=O)c1 2324571137 KTGIUDNSGLVVEI-UHFFFAOYSA-N 432.491 6.297 30 10 IKEE Cc1ccccc1OCCCCOc1ccc2c(c1)OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2324595501 ROHJHWSXDIIZDV-UHFFFAOYSA-N 445.471 5.757 30 10 IKEE CCCOc1ccc(C=CC(=O)c2ccc(OC)c(OC)c2OC)cc1Br 2324719239 QOJZXGHYESSCIO-UHFFFAOYSA-N 435.314 5.160 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CCCOc2ccccc2)nnc1SCCC 2325424616 HLXOOHXGPVAJBW-UHFFFAOYSA-N 436.581 5.239 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccc(F)cc2)cc1 2325435481 KTCLXNBDIUPCKW-UHFFFAOYSA-N 430.552 5.685 30 10 IKEE C[C@@H](C(=O)Oc1cccc(C=CC(=O)c2cccc(Br)c2)c1)c1ccccc1 2325720984 PVXGJIPWHUUPOY-QGZVFWFLSA-N 435.317 6.054 30 10 IKEE Cc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3cccc4ccccc34)c2)c(C)c1 2325749911 ULCIWBXHQDBZKS-UHFFFAOYSA-N 436.507 6.337 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1OC(=O)Cc1cc(C)ccc1C 2325752993 NXCUCUPPXRCNDX-UHFFFAOYSA-N 436.454 5.634 30 10 IKEE CCCCCCC(=O)Oc1cccc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)c1 2325756374 KZQOUKGLGQJDOB-UHFFFAOYSA-N 435.347 6.774 30 10 IKEE COc1ccccc1OCC(=O)Oc1cccc(C=CC(=O)c2cc(C)cc(C)c2OC)c1 2325757756 LGJARCIBDACQMG-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE CCSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1cccc(Cl)c1 2325940978 WJKOAWIJEWPYRD-UHFFFAOYSA-N 435.778 5.279 30 10 IKEE CCCc1ccc(OCc2nnc(SCc3ccccc3F)n2N=Cc2ccc[nH]2)cc1 2327365921 GWKNRSABLWHIPH-UHFFFAOYSA-N 449.555 5.451 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccccc3Cl)n2N=Cc2ccccc2)c1 2327624203 NOMHETMKHJGNFM-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1cn(C)c2ccccc12 2328179603 JSTYZDJGZIWROC-UHFFFAOYSA-N 435.641 6.394 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccccc1 2328552497 IGIRVDNMLLZFMZ-UHFFFAOYSA-N 446.551 5.788 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2ccc(O)cc2)cc1C 2329433889 HVXMXSKWAUEFFS-UHFFFAOYSA-N 442.588 5.408 30 10 IKEE CCCOC(=O)CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(Cl)cc1 2329622801 SIVOXKNKLOLKKH-UHFFFAOYSA-N 449.363 5.179 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2sccc2C)cc1 2329938360 VPMYLJGPTFEOKH-UHFFFAOYSA-N 432.618 6.030 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2)n1N=Cc1ccc(OCCCCC)cc1 2330193614 LTNLHXIJNGMENT-UHFFFAOYSA-N 448.636 6.183 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(-c3cccs3)n2N=Cc2ccccc2)c1C 2330537910 KRHXLIYMIBVYRZ-UHFFFAOYSA-N 447.589 5.236 30 10 IKEE Fc1ccccc1CSc1nnc(-c2cccs2)n1N=Cc1ccccc1Cl 2330583248 ZLZUODFDHALMFC-UHFFFAOYSA-N 428.945 5.974 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OC(=O)[C@@H](C)c1ccccc1 2330676059 FVHHWLTVGTVCAT-FQEVSTJZSA-N 436.507 6.454 30 10 IKEE Clc1cccc(CSc2nnc(-c3ccccc3)n2N=Cc2c[nH]c3ccccc23)c1 2330692976 NAGYWOHYVFJPRF-UHFFFAOYSA-N 443.963 6.254 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3C)c([N+](=O)[O-])c2)cc1 2330833692 JBCTZELGMKXMDV-UHFFFAOYSA-N 443.499 6.361 30 10 IKEE COc1cccc(C=Nn2c(CC(C)(C)C)nnc2SCCc2ccccc2)c1OC 2330852054 GJGRXKXNYAVIKU-UHFFFAOYSA-N 438.597 5.101 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2)ccc1OC(=O)c1ccc(C)cc1 2330874176 KUHOWYLNDNYAHM-UHFFFAOYSA-N 430.500 5.826 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 2331021480 YNEBKXZNPCIBPW-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE Cc1ccsc1C=Nn1c(SCc2cccc3ccccc23)nnc1C(F)(F)F 2331149900 PEIFKJCLWJEYEM-UHFFFAOYSA-N 432.496 5.995 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)c1cccc(Br)c1 2331183668 WQFFETONKDVMRE-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE CCCCC(=O)Oc1c(OCC)cc(C=CC(=O)c2cc(C)ccc2C)cc1[N+](=O)[O-] 2331326037 RRMYXRZHDXVGHV-UHFFFAOYSA-N 425.481 5.602 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)Cc1ccc(F)c(C)c1 2331349104 QPTQISLHWXMWIG-UHFFFAOYSA-N 436.454 5.634 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C(C)(C)C)cc1 2331410841 JZSCGYPLJHNROD-UHFFFAOYSA-N 441.044 6.701 30 10 IKEE COCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1cccc(Cl)c1 2331592327 VGHQOHXYPAJJMB-UHFFFAOYSA-N 441.771 5.559 30 10 IKEE COC(=O)c1ccc(CSc2nnc(C(C)C)n2N=Cc2cccc3ccccc23)o1 2331695929 QFLDDNGBKFWEFZ-UHFFFAOYSA-N 434.521 5.109 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Br)c1OC(=O)C1CCC1 2331708667 HWDQTEOJBCAQPC-UHFFFAOYSA-N 443.337 5.676 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3cccc(Cl)c3)c(Cl)c2)c(C)c1 2331768838 JDKJFSIZHXRXAN-UHFFFAOYSA-N 439.338 7.034 30 10 IKEE C=CC[C@@H](Oc1nc2ccc(Br)cc2s1)[C@@H]1CCN1C(=O)OC(C)(C)C 2335884146 PEJLAKCOIFHJFL-LSDHHAIUSA-N 439.375 5.392 30 10 IKEE CC1(C)[C@H](CNc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN1Cc1ccccc1 2365103069 IXIJKKPXNKFLRX-QHCPKHFHSA-N 447.432 5.439 30 10 IKEE CCCCCCCC[C@@H](NC)[C@@H](O)c1sc(Cl)cc1I 2366653318 OGWKXFMVKBSLEX-TZMCWYRMSA-N 429.795 5.378 30 10 IKEE Cc1ccc(CSc2nc3n(n2)[C@H](c2ccc(F)cc2)C2=C(CCCC2=O)N3)c(C)c1 20134128 DHMSTSBBSKJNKE-JOCHJYFZSA-N 434.540 5.348 30 10 IKEE Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(SCc4ccccc4F)nn32)cc1 20850300 NUKWBMSLRRIYTB-JOCHJYFZSA-N 448.567 5.676 30 10 IKEE O=C(/C=C\N1CCN(Cc2ccc(Cl)cc2Cl)CC1)c1ccc(OC(F)F)cc1 33523065 DWKVQCMBWKZEIQ-FPLPWBNLSA-N 441.305 5.109 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1Cl)C2=O)c1ccccc1Cl 35550329 BQFVKIDTPUYUGJ-GRSHGNNSSA-N 445.685 6.482 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(OCCC)c1 40076831 XHOGCKIKDQLKQT-NRFANRHFSA-N 427.928 5.507 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1ccccc1F 40093608 UGBVUOVEWCPKPX-QFIPXVFZSA-N 425.500 5.300 30 10 IKEE COc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN([C@@H](C)c2ccccc2)C4)cc1 41646659 WSEFSVDOYUZZNY-SMNNTEATSA-N 427.500 5.533 30 10 IKEE CCCCCCCCCN1CCC(F)(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1 59531614 QLMMCEUAEYTHQQ-UHFFFAOYSA-N 431.423 6.278 30 10 IKEE C=C(C)COc1cccc(NCC(=O)Nc2ccccc2OCCOc2ccccc2)c1 66063059 RLNRTFYAMWJADV-UHFFFAOYSA-N 432.520 5.150 30 10 IKEE C=C(C)COc1ccccc1NC(=O)CNc1ccc(NC(=O)CCc2ccccc2)cc1 66093677 CGQYSCVZWQZXGS-UHFFFAOYSA-N 443.547 5.263 30 10 IKEE CCCCCCCCCCCCCCCCNCC(=O)N1CCC(C(=O)OCC)CC1 100055999 NQIKLDHJBSDBKX-UHFFFAOYSA-N 438.697 5.859 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 100305659 AVBPTGKDFLCGLN-MHZLTWQESA-N 445.688 7.456 30 10 IKEE CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)(C)C 100312123 WLZWQSYAGWLLEJ-UHFFFAOYSA-N 446.672 8.138 30 10 IKEE CCCCCCCCOc1ccc(/C=N/Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 105633270 RMHKUAOOGABUHH-XQNSMLJCSA-N 426.542 6.390 30 10 IKEE COc1cccc(/C=N\n2c(S)nnc2-c2ccccc2)c1OCc1cccc(C)c1 169912096 HUHUCVQAJUTLAT-MYYYXRDXSA-N 430.533 5.012 30 10 IKEE Sc1nnc(-c2cccs2)n1/N=C\c1ccc(OCc2ccccc2)c(Cl)c1 169912571 MGRCAXYOBMQBFA-UUYOSTAYSA-N 426.954 5.410 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3ccc(C)c(C)c3)cs2)cc([N+](=O)[O-])c1OC 169943291 XDJXIBGSXNNCED-JJFYIABZSA-N 426.498 5.188 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccs2)c1 169981805 OINPYIJZCLGWPA-JOCHJYFZSA-N 445.496 5.676 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2cccnc2)cc1 170002784 PPMSNHLBZZVTFV-XMMPIXPASA-N 442.515 5.387 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(OC(C)C)cc2)=C(N2CCCCC2)C1=O 170084341 VMXRNVTYSXIGMH-UHFFFAOYSA-N 426.601 5.400 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)cc3)[C@H]2c2ccco2)c1 170089793 CTFOWERZKYSIAT-HSZRJFAPSA-N 447.487 5.250 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2OC)c1 170122514 DQHZKLWJTJPVQD-QFIPXVFZSA-N 449.890 5.140 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccc(C)c2)cc1Cl 170140905 KQJVLLMBBPOSCW-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccs2)c1 170155665 QXCDXXYLJJPCCO-OAQYLSRUSA-N 437.492 5.459 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccs2)c1 170166493 JVRPRGPJKBZNII-NRFANRHFSA-N 425.550 5.304 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2ccccc2)c1 170223869 SJAATCYERJUKHY-RUZDIDTESA-N 439.511 5.411 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccccc2)cc1 170224914 HBNRCQXTLQQOGL-DEOSSOPVSA-N 443.499 5.267 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2F)ccc1Cl 170251508 IUSOZWZYLGSQCJ-OAQYLSRUSA-N 443.902 5.399 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2ccco2)c1 170284209 XEEYCHLJIOBRBX-OAQYLSRUSA-N 437.879 5.423 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2c2ccc(F)cc2)o1 170299727 FEIWCNNNBQWNOG-HSZRJFAPSA-N 449.478 5.545 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccc(Cl)cc2)o1 170303115 VORRNJDKNKPMSN-OAQYLSRUSA-N 433.847 5.771 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(Cl)c(Cl)c1)c1cccs1 170379795 QHGVRIDETRRXII-SFHVURJKSA-N 448.302 5.977 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3cc(C)c(C)cc3s2)c1 170462117 QRPADKSCQXVCSH-NRFANRHFSA-N 444.512 5.597 30 10 IKEE N#Cc1ccc(Nc2ccc(Br)cc2Br)c(Br)c1 213284756 XTDYLJPSTDJOLK-UHFFFAOYSA-N 430.925 5.589 30 10 IKEE Cc1ccc(N=C2S/C(=C3\C(=O)Nc4ccccc43)C(=O)N2c2ccc(C)cc2)cc1 254819360 IZYQENPJHGQEQI-ZDYVTZELSA-N 425.513 5.434 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 526490774 YMKVTBXQARADHL-IBGZPJMESA-N 437.864 5.239 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(N(C)C)cc2)c1 526516018 LOWMYQFJSWCSKD-RUZDIDTESA-N 439.515 5.080 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccc(Cl)c2)c1 526518533 ZEBICTZEEGKEDX-QHCPKHFHSA-N 430.891 5.668 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3Cl)[C@@H]2c2cccc(F)c2)c1 526519578 BUVTUUBTEAGUDZ-NRFANRHFSA-N 439.273 6.061 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc3ccccc23)c1 526773912 WDDUVEOBDNWMCE-SANMLTNESA-N 449.506 6.021 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1/N=C\c1c(C)n(CC)c2ccccc12 526799579 GYGGDLRZOWXVIM-ONUIUJJFSA-N 431.609 6.078 30 10 IKEE CCc1nnc(SCc2ccccc2F)n1/N=C\c1ccc(OCc2ccccc2)cc1 526802314 CUVKJHXOVHPCMW-YUMHPJSZSA-N 446.551 5.733 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2c[nH]c3ccccc23)c1 526808962 SMWWKRZLGWRAHU-QRQIAZFYSA-N 437.572 5.833 30 10 IKEE Cc1ccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccccc2Cl)cc1 526816428 CDCDNWJWNJMSMJ-PKAZHMFMSA-N 447.007 6.200 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1ccc(OC)c(O)c1Cl 526819437 WGNNNRNZTIMLFQ-MSXFZWOLSA-N 444.988 5.390 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](Nc3ccc(C#N)c(Br)c3)C(C)(C)[C@@H]21 693666556 KUXABNOJMCULTM-BPQIPLTHSA-N 434.378 5.157 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1cccc(Cl)c1F 698454874 YCUPDFRBMHKWHH-INIZCTEOSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)C1(C#N)CCN(Cc2ccccc2)CC1 698901826 LRWNDYAXUCTHDQ-UHFFFAOYSA-N 425.960 5.640 30 10 IKEE COc1ccc(-c2nc(N=Cc3ccc(Cl)cc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 1084055637 TVTSMDVOHXTRBQ-UHFFFAOYSA-N 449.919 6.798 30 10 IKEE COc1ccc2ccccc2c1C=Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1 1084214718 GBDAWFPEMKNTGY-UHFFFAOYSA-N 444.556 6.017 30 10 IKEE CC(=O)C(=NNc1cccc(Cl)c1)Sc1ncc(-c2ccccc2)n1-c1ccccc1 1084365305 GSYQBUWLNMTPGC-UHFFFAOYSA-N 446.963 6.299 30 10 IKEE C[C@]12CC[C@H](O)CC1=CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](C(=O)/C=C\c3ccc(Cl)cc3)CC[C@H]12 1088690229 MCQDPLIJIWZQHR-OAIKMZPZSA-N 439.039 6.862 30 10 IKEE CC1(C)CC(=O)C(C(=O)/C=C\c2ccccc2)=C(Nc2ccc(N=Nc3ccccc3)cc2)C1 1565517625 VVCBJCWLONXDOC-LZJXRZIMSA-N 449.554 7.440 30 10 IKEE Cc1csc(N=C2S/C(=C\C(Cl)=C/c3ccccc3)C(=O)N2c2ccccc2)n1 1772740491 YNGIRZZDUYZHRU-WPPINMALSA-N 437.977 6.383 30 10 IKEE C[C@@H]1CCc2c(sc3nc(-c4c(F)cccc4F)n(Cc4cccc(C#N)c4)c(=O)c23)C1 1857804981 UHQYBUSVUXTZHI-CQSZACIVSA-N 447.510 5.448 30 10 IKEE C=CCN(CC=C)c1nc(-c2cc[nH]c(=NCCc3ccc(F)cc3)c2)cc2cnccc12 1857844053 KVZGKUPXKDQDOO-UHFFFAOYSA-N 439.538 5.086 30 10 IKEE CCCCCCCCCOc1cccnc1NC(=O)c1ccc(OCc2ccccc2)cc1 1858749952 DQJDSLGSRRUZRJ-UHFFFAOYSA-N 446.591 7.042 30 10 IKEE Cc1cc(C(=O)Nc2c(C#N)cnn2-c2cc(C)c3cccc(C)c3n2)c2ccccc2n1 1859657027 OEUBXXIGZVJVAG-UHFFFAOYSA-N 432.487 5.018 30 10 IKEE CCCCCCCCCOc1cccc(NC(=O)CC(c2ccccc2)c2ccccc2)c1 1860099555 XUKZQMGPEJOBFR-UHFFFAOYSA-N 443.631 7.977 30 10 IKEE Cc1ccc2nc(-c3ccc(NC(=O)C(=O)/C=C/c4ccccc4[N+](=O)[O-])cc3)sc2c1 1860731007 RRNFKTSDTCOBSF-UKTHLTGXSA-N 443.484 5.401 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1cccc(O)c1)c1ccccc1Cl 1862430747 QURMYXUYGPGORI-OAQYLSRUSA-N 425.912 5.347 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccccc2)cc1 1862441427 IBXKKKOBWVLJNX-MZNJEOGPSA-N 445.946 6.242 30 10 IKEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(O)cc2)cc1 1862474695 RXGACYLMLVXZGL-XDHUDOTRSA-N 443.499 5.049 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1Cl 1862476357 JDRQWKZLXPVXCR-QFIPXVFZSA-N 441.955 5.434 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)cc1 1862501719 IWNZHJNXCTZXNI-OHOZJJFFSA-N 435.539 5.854 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccc(Cl)c2)ccc1F 1862503053 ONPOOXAKYVWRBJ-HXUWFJFHSA-N 441.911 5.628 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2cccc3ccccc23)ccc1F 1862505655 QUEDQYUMYOWDIT-XMMPIXPASA-N 431.507 5.912 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccccc2)c1 1862506817 WBVKIQUJBJQEAX-XMMPIXPASA-N 445.490 5.311 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cccc([N+](=O)[O-])c1 1862546602 ATUWEHBRNISSER-HSZRJFAPSA-N 448.519 5.242 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C2CC2)c1 1862550206 FNGWOWZCHILZQC-DEOSSOPVSA-N 431.532 5.095 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(C(=O)O)cc1 1862583110 SXKVEBHGFSCGSC-ADLMAVQZSA-N 448.302 5.068 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(Cl)cc1 1862591103 CXRXYNBRRFLGKA-QFIPXVFZSA-N 441.955 5.984 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(Cl)cc1 1862616304 AQGLLGKHMYXYAV-OAQYLSRUSA-N 425.956 5.872 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(C(=O)OC)cc1 1862620680 XYEPNWGMVZYKJT-AOMKIAJQSA-N 449.547 5.148 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(C(C)C)cc1 1862629425 VRPFFIUYKYIPOI-XMMPIXPASA-N 449.547 5.697 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862648928 MXWQJNURJUYHJE-CCLHPLFOSA-N 447.534 6.488 30 10 IKEE COc1cc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C2CCCC2)ccc1O 1862654353 ZNAYRUNQJDOVAW-XMMPIXPASA-N 443.499 5.075 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)c1 1862664260 XYMWMIKNVULVCB-DVKBMCPXSA-N 447.575 5.976 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1F 1862674224 SZSYEDDXOYTUDV-PGRDOPGGSA-N 427.491 5.902 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccccc2Cl)c1 1862674591 PQWLUNUWQRKXKS-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(O)cc1 1862687729 OEKCOHURIZNJQA-QHCPKHFHSA-N 437.536 5.340 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccccc2F)cc1 1862688434 WKJSSZSYDSQGGY-HSZRJFAPSA-N 435.495 5.303 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(Cl)cc1Cl 1862706417 WBXSCYSUUNQIHF-HXUWFJFHSA-N 448.346 5.771 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2CC(C)C)cc1 1862723890 GZPZOAXZXIIFHY-AREMUKBSSA-N 439.555 6.150 30 10 IKEE N#Cc1ccccc1NC1=C(c2c[nH]c3ccccc23)C(=O)N(c2ccc(Cl)cc2)C1=O 1863125630 SILVFQPDUABHJG-UHFFFAOYSA-N 438.874 5.090 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(C)c(C)c2)=C(c2cccs2)C1=O 1863470098 GWFBOUPWVGJIRS-UHFFFAOYSA-N 438.637 6.698 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCCN(C)C)=C(c2cccc3ccccc23)C1=O 1863584014 YHFCRGRELVNZQI-UHFFFAOYSA-N 449.639 5.212 30 10 IKEE C[C@@H]1c2ccc(C#N)n2CCN1C(=O)c1cccc(N2COc3ccc4ccccc4c3C2)c1 1866310493 ZZLILBLJZFXNRW-LJQANCHMSA-N 448.526 5.086 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(CC)cc2)c(=O)cc1CN(C)CCCC 1870465437 ZWDDJMIPFLSFDQ-UHFFFAOYSA-N 440.672 6.582 30 10 IKEE CCCCCCCCCCn1cc(OCC)c(=O)cc1CNc1ccc(Cl)c(C)c1 1870784951 HNYDHDMSXJWUIZ-UHFFFAOYSA-N 433.036 6.962 30 10 IKEE CCCCCCCOc1cn(Cc2ccco2)c(CNc2ccccc2C(C)C)cc1=O 1870837446 GNVYGYRPBWBPQE-UHFFFAOYSA-N 436.596 6.574 30 10 IKEE C=CCn1cc(OCc2c(C)cccc2C)c(=O)cc1CNc1ccc(OCCCC)cc1 1870920828 XHYSUDYUVHUNKC-UHFFFAOYSA-N 446.591 6.021 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(N(C)C)cc1)O3)CN([C@@H]1CCCC[C@@H]1C)CO2 1871351268 RUAZZHCHHKOTNP-ZILMSGENSA-N 432.564 5.408 30 10 IKEE COc1ccc([C@@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2sccc2C)C4=O)cc1 1871354486 RQTKERCSQUSNNO-YSUUHWHMSA-N 433.529 5.594 30 10 IKEE Cc1ccc(CCN2COc3c(cc4c(c3C)O/C(=C\c3ccc(Cl)cc3)C4=O)C2)cc1 1871358901 FAOPKYRSJOJIGP-CFRMEGHHSA-N 445.946 5.968 30 10 IKEE COc1ccccc1OCC(=O)Oc1ccc2c(c1C)O/C(=C\C=C\c1ccccc1)C2=O 1871370310 KCBOHIBHSQDPCV-GXWRHTCTSA-N 442.467 5.160 30 10 IKEE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2sccc2C)C3=O)cc1 1871377039 RHECKENRRLWJKL-GZCGBYDHSA-N 432.497 5.609 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccc(C)cc4)ccc3C2=O)cc1 1871409110 XPTVURPNTUBTNB-SDPDQUOZSA-N 427.500 5.580 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4OC)ccc3C2=O)cc1 1871412439 RRFFQIKOOYULJO-HAWKZNDISA-N 443.499 5.280 30 10 IKEE CCCCCCCCN=c1nc(N2CCCCCC2)[nH]c(=Nc2ccccc2C(C)C)[nH]1 1871495631 LMYTZFSKIOMPBE-UHFFFAOYSA-N 438.664 5.735 30 10 IKEE C=CCN([C@@H](C)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1871816216 FSCWRMFGBXCRGB-NRFANRHFSA-N 442.625 5.158 30 10 IKEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1 1871887732 CNQSMWLPGSNPLK-JOCHJYFZSA-N 449.016 5.187 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(Nc2ccccc2)cc1)[C@@H](C)CC)S(=O)(=O)CCC 1872157510 KVSAPVUTZCUVCG-WMZHIEFXSA-N 443.613 5.011 30 10 IKEE N#C[C@H](C(=O)c1cc(Cl)ccc1Cl)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872759155 GDGZUDPOZCXUTN-HXUWFJFHSA-N 449.362 7.274 30 10 IKEE N#C[C@@H](C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc3ccccc3c2)cs1 1872760718 WNMACPZGGPGLQC-SQEWALACSA-N 425.469 5.761 30 10 IKEE COc1ccc(C)cc1-c1csc([C@H](C#N)C(=O)/C=C/c2ccc(Cl)cc2Cl)n1 1872770707 CGPQOXYQJVDHQU-QQOXCAACSA-N 443.355 6.324 30 10 IKEE N#C[C@H](C(=O)/C=C/c1ccc(Cl)c(Cl)c1)c1nc(-c2c[nH]c3ccccc23)cs1 1872777757 VNAXRCCEQDZBKF-PMGBHYCQSA-N 438.339 6.488 30 10 IKEE COc1cc(-c2csc([C@@H](C#N)C(=O)c3ccccc3Cl)n2)c(OC)cc1Cl 1872782003 ASQIEEKSQJEHPF-ZDUSSCGKSA-N 433.316 5.624 30 10 IKEE COc1cc(OC)c(-c2csc([C@H](C#N)C(=O)C(Cl)(Cl)Cl)n2)cc1Cl 1872782134 FGOJOLILRLRMCV-MRVPVSSYSA-N 440.135 5.027 30 10 IKEE Cc1nc(SCc2ccc(C(=O)Nc3ccccc3OC(C)C)cc2)c(C#N)c(C)c1C 1872895122 CYWOMIZHKWROTI-UHFFFAOYSA-N 445.588 6.210 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C)cc2C)=C(c2c(C)cc(C)cc2C)C1=O 1873331368 HMTATABOHFSNDO-UHFFFAOYSA-N 446.635 6.781 30 10 IKEE CN(Cc1ccccc1)c1nc(Nc2ccc(C#N)cc2)c2cnn(-c3ccccc3)c2n1 1873482061 FDBAISQCGOARMZ-UHFFFAOYSA-N 431.503 5.067 30 10 IKEE CSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1c(F)cccc1Cl 1874201542 HMVRLMVGKGGIKU-BRJLIKDPSA-N 446.979 5.860 30 10 IKEE CCCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1cccn1C 1874203055 IURDBLNKKLPSLL-BUVRLJJBSA-N 425.602 5.186 30 10 IKEE CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1ccc(F)cc1 1874203278 TZQUQENXJREPAO-AFUMVMLFSA-N 426.561 5.596 30 10 IKEE CCCSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1cccc2ccccc12 1874259308 SYRBFWLBFYPFNJ-OVVQPSECSA-N 444.604 6.347 30 10 IKEE Fc1ccccc1CSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccco1 1874269516 AFIXZUSEJWMGEI-JVWAILMASA-N 442.519 5.929 30 10 IKEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccccc1OC(C)C 1874284795 YONGROYOSRBZLP-PCLIKHOPSA-N 441.000 5.664 30 10 IKEE COc1ccccc1OCc1nnc(SCc2ccccc2C)n1/N=C/c1ccccc1 1874288596 BHFOYQDILBEQEO-WGOQTCKBSA-N 444.560 5.349 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3C)n2/N=C/c2ccco2)cc1C 1874319955 RQMAXHCWBOAOTB-AFUMVMLFSA-N 432.549 5.550 30 10 IKEE Cc1ccc(OCc2nnc(SCCc3ccccc3)n2/N=C/c2cccnc2)cc1C 1874321008 VNTZRFFYOIJMQX-WPWMEQJKSA-N 443.576 5.086 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2)c(C)c1 1874327415 MSZVLNFSEQUGSL-WGOQTCKBSA-N 428.561 5.648 30 10 IKEE Clc1ccccc1CSc1nnc(COc2ccccc2)n1/N=C/c1ccccn1 1874384612 ZFJDLRJXOUDSAD-AFUMVMLFSA-N 435.940 5.080 30 10 IKEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3cccc(C)c3)nnc2C2CCCC2)cc1 1874452983 XZICMZKIMWLZIN-MFKUBSTISA-N 433.581 5.166 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccccc1F 1874480223 NSFFOMJBFSYQHA-WYMPLXKRSA-N 437.371 6.241 30 10 IKEE CCCSc1nnc(C2CCC2)n1/N=C/c1ccc(N(CC)Cc2ccccc2)cc1 1874496360 IERJZMALNZTCGM-NLRVBDNBSA-N 433.625 5.956 30 10 IKEE COc1cc(/C=N/n2cnnc2SCc2cccc(C)c2)ccc1OCc1ccccc1 1874536412 CLEDYJZMHMPPCT-JFLMPSFJSA-N 444.560 5.349 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(S)nnc2COc2cc(C)c(Cl)c(C)c2)cc1 1874568656 KKJVQXYFVQFWDR-ZMOGYAJESA-N 444.004 5.144 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(Cl)cc2)c1OCc1cccc(F)c1 1874578659 ZVELIBJMEZKAJM-JXMROGBWSA-N 431.290 6.616 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccccc2F)c1C 1874586869 IOYHRBITIXMVCJ-BUHFOSPRSA-N 431.507 5.973 30 10 IKEE COC(=O)c1ccc(COc2ccccc2/C=C/C(=O)c2cc(C)c(Cl)cc2OC)o1 1874589685 YDMURVQHQNPEKG-CSKARUKUSA-N 440.879 5.512 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OCc2c(F)cccc2Cl)c1 1874600043 PSLFDHAUMKUEKM-WYMLVPIESA-N 436.954 7.560 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Cl)c(OCC(=O)OCCC)c(OC)c2)cc1 1874606457 ORHMDJHCRDFMIR-JLHYYAGUSA-N 444.955 5.919 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCc3cc(C)ccc3C)c(OC)c2)cc1 1874607445 ORRUQMHJQOWIBO-FOWTUZBSSA-N 428.572 7.130 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1F 1874613304 NONCZGNLZZPAAA-IZZDOVSWSA-N 431.290 6.616 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OCc3cccc(F)c3)c([N+](=O)[O-])c2)c1 1874619386 YNWCMLZCOMQKSP-RMKNXTFCSA-N 437.423 5.226 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1cccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1 1874692833 ZVWJHVCTOJFVAX-CSKARUKUSA-N 437.835 5.372 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)c2)cc1 1874701078 AEMAZZDMPPGYOC-YRVBYWCVSA-N 446.930 6.344 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)c2)c(C)c1 1874701806 AMFURCYVNMEUID-KVKMCETFSA-N 430.931 6.562 30 10 IKEE Cc1cc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(C(F)(F)F)cc3)c2)ccc1F 1874704029 TVATYVWOQNGJMQ-LFYBBSHMSA-N 428.381 6.268 30 10 IKEE COc1cccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc(C(C)C)cc3)ccc2OC)c1 1874707911 CULLHBDLCVLDQG-RIYZIHGNSA-N 430.500 5.943 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cccc(OC(=O)COc2ccccc2)c1 1874715654 ZPTZGVZNQYNKIC-VAWYXSNFSA-N 436.891 5.538 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)[C@H](C)c3ccccc3)c2)cc1C 1874718400 XLLCDGLOJOJXQW-VSFZPWCASA-N 444.527 5.926 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)cc1C 1875087800 FVIHMAXGKVXBQF-JXMROGBWSA-N 435.863 5.980 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)CC(C)(C)C)c(OC)c2)cc1C 1875107459 RBPWSCCKTOLSCI-CSKARUKUSA-N 426.509 5.259 30 10 IKEE Cc1nc2ccc(C(=O)Oc3ccc(/C=C/C(=O)c4ccc(Cl)cc4)cc3)cc2nc1C 1875122751 KWVDEDJCYJXYNG-LHHJGKSTSA-N 442.902 6.015 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1cccc(OC)c1 1875125424 ISEVTFLRSMDJAL-NTUHNPAUSA-N 436.891 5.863 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2cccs2)c([N+](=O)[O-])c1 1875143412 XWKVYXCLKMXFMU-SOFGYWHQSA-N 437.473 5.018 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1[N+](=O)[O-])c1cccc(F)c1 1875154944 FKCJKKSZXIWIRN-ACCUITESSA-N 441.414 6.002 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(Br)c3)cc2)cc1 1875156146 LZHLEUKEQHGMSI-OVCLIPMQSA-N 449.344 6.688 30 10 IKEE Cc1nc2ccc(C(=O)Oc3ccc(/C=C/C(=O)c4ccc(F)cc4)cc3)cc2nc1C 1875157599 FPKHFMGHOMGLEF-LHHJGKSTSA-N 426.447 5.501 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cc(Cl)c(OC(=O)C2CC2)c(OC)c1 1875161306 JUAAFPFOYXLWJZ-UXBLZVDNSA-N 442.939 5.866 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(Cl)cc2)c(Cl)c1)c1ccc(F)c(F)c1 1875161766 GRHVUYVHKHJZPC-XLUWADSXSA-N 433.237 6.387 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cccs3)c(Cl)c2)c(C)c1C 1875167741 MKKLICXHUFIUAW-RMKNXTFCSA-N 440.948 6.071 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC)c(Br)c2)c(OCC)c1 1875177897 WYBYKDJZQFBNPE-YRNVUSSQSA-N 447.325 5.458 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1Cl)c1cccc(F)c1 1875189213 DOTXMDIJXQUXRB-XBXARRHUSA-N 449.692 6.901 30 10 IKEE C#CCCCCCCNC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1901041321 DQFFPBRFQUEONE-AREMUKBSSA-N 446.591 5.250 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(CCC)CCCN(C(=O)OC(C)(C)C)C1 1922067349 AWNDXNHCVUPECF-IGKIAQTJSA-N 444.660 5.945 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)NCCC 1922115108 DRDPESDSSKGHCZ-ISKFKSNPSA-N 430.633 5.555 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 1944586996 AIZLODUYVQGFOG-HJPURHCSSA-N 433.524 5.154 30 10 IKEE C[C@@H]1CC[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)[C@@H](OCc2ccccc2)C1 1953269988 RXGJZCWWOWCCQX-SSEPRJSISA-N 434.580 6.091 30 10 IKEE C=CCC[C@H](C)SCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1955233563 AFOVANOCJJRWGD-GAJHUEQPSA-N 439.577 5.456 30 10 IKEE C#CCCCC[C@@H](NCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2005495596 ZSPHVARCOVTSNG-ZEQKJWHPSA-N 428.617 5.002 30 10 IKEE CC(C)(C)OC(=O)NCC1CCC(C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)CC1 2030040355 RTJSSKKYNACEQA-UHFFFAOYSA-N 447.551 5.544 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)CCC1(C)C 2038519292 LKBNOURJYQDWAN-RUZDIDTESA-N 449.636 6.018 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@@]1(C#N)CN(Cc2ccccc2)C2(CCCCCC2)C1 2038913620 OOECIPPKXSIMAU-MHZLTWQESA-N 439.644 6.141 30 10 IKEE C=C(COC(C)C)[C@H](NC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071361230 YFVWAWQGQPAZRX-NDEPHWFRSA-N 431.576 6.086 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)C1(C#N)CCP(C)(=O)CC1 2073252004 CFMGGGUBIKPREU-UHFFFAOYSA-N 427.279 5.240 30 10 IKEE O=Cc1c(C(F)(F)F)nn([C@H](c2ccc(C(F)(F)F)c(F)c2)C2CCC2)c1Cl 2079846370 CDBOWEZCDQPIOQ-ZDUSSCGKSA-N 428.735 5.915 30 10 IKEE CCc1nn([C@H](c2ccc(C(F)(F)F)cc2F)C(C)C)c(Br)c1C=NO 2079878742 RZCAZEMBIHRHHR-HNNXBMFYSA-N 436.247 5.419 30 10 IKEE CCCOc1ccc([C@@H](n2nc(C3CCC3)c(C=NO)c2Br)C(C)(C)C)cc1 2080063342 BTYJSMGFPAAHIR-HXUWFJFHSA-N 448.405 6.146 30 10 IKEE CCc1cc(Br)c([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)s1 2089742350 YGZSUIOMPNSYOY-INIZCTEOSA-N 439.350 6.218 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)C1(C#N)CCC(C(F)F)CC1 2093096646 AJIPVQQGUAFMPT-UHFFFAOYSA-N 429.305 5.908 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCCCCC1(F)F 2096454619 ZYVVCKRKBBQEGG-SFHVURJKSA-N 429.305 6.052 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(Br)ccc(Cl)c1F 2098972031 DQWPRHHJQHMXGA-YOEHRIQHSA-N 449.792 5.752 30 10 IKEE C=CCN(CC[C@H](Cc1ccc(Br)cc1Cl)NCC)C(=O)OC(C)(C)C 2099293261 QRVIDGRUHMYGNI-QGZVFWFLSA-N 445.829 5.436 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Br)ccc1Cl)NCCC 2110500707 LIZNXILNMSGLDQ-ZWKOTPCHSA-N 445.829 5.483 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)c(Br)c1F)NCCC 2126700916 SCOHDCAXZCVBHV-HUUCEWRRSA-N 449.792 5.232 30 10 IKEE C=CCN(CC[C@@H](NCCC)c1c(C)ccc(Br)c1F)C(=O)OC(C)(C)C 2155521238 MBRXVDNXPGJLGR-QGZVFWFLSA-N 443.401 5.751 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)ccc(F)c1Br 2159123656 CKUPCVVDGCEVLJ-CRAIPNDOSA-N 445.348 5.075 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1c1ccc(Nc2ccc(Br)cc2C#N)cc1 2162388594 ZXJAVTMHVWQLTJ-MJGOQNOKSA-N 428.330 5.445 30 10 IKEE C[C@H]1[C@@H](Nc2cc(Br)cc(F)c2C#N)C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2163710073 BRKCGWBMHZPCAD-QRKZQPCCSA-N 438.341 5.048 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1ccc(-c2ccc(Br)cc2)o1 2164104039 FEDNWVLNYJLQCZ-HSZRJFAPSA-N 426.354 6.133 30 10 IKEE CCC[C@@H]1CCOCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2165351075 SBFUMZOJPBBKLI-IERDGZPVSA-N 437.378 5.680 30 10 IKEE C=CCCCCCC[C@@H](NCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2206902215 IDOJFZUCUJGWPH-HXUWFJFHSA-N 439.438 6.973 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CCCC[C@@]2(C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)C1 2221551193 ANBKJPMADFLGQP-VWLOTQADSA-N 447.620 5.630 30 10 IKEE C=CCN(CC[C@@H](NCCC)c1c(F)cc(F)cc1Br)C(=O)OC(C)(C)C 2233951786 ZNLDGQVGSATTCY-QGZVFWFLSA-N 447.364 5.581 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1CCC(=O)C#Cc1ccccc1Br 2235728503 ZXBJLMSVBXZYRK-XLIONFOSSA-N 434.374 5.233 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](C#Cc1ccccc1Br)NCCC 2235733769 UTGKYMPNEPIEDY-PMACEKPBSA-N 435.406 5.028 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)c1sc(C)c(C)c1Br 2275815196 MGWLTDWEALUEIL-IBGZPJMESA-N 439.371 5.433 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(C#N)c(Br)c2)C[C@@H]1C(F)(F)F 2279226972 DHGQEPQOQNEELQ-DZGCQCFKSA-N 448.283 5.063 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@](C)(NC(=O)OC(C)(C)C)C(C)C 2296292527 ZFRXEEJYUNHZSV-SIKLNZKXSA-N 437.422 5.108 30 10 IKEE Cc1ccc(NC(=S)NN=Cc2cn(-c3cccc(C)c3)nc2-c2ccccc2)cc1 2296404889 ATSPTXXPETXMHA-UHFFFAOYSA-N 425.561 5.477 30 10 IKEE Cc1ccc2c(c1)SC(=C1C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]3(C)C1=O)S2 2297464323 YMDSWPZYGHRYGY-AYAQZYHXSA-N 438.702 8.016 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC[C@](C#N)(N(C(=O)OC(C)(C)C)c3ccccc3)C2)C1 2301634102 KZUZTQILUZPKDG-DEOSSOPVSA-N 427.545 5.111 30 10 IKEE CCCN[C@@H](C#C[C@@H](OC)C1CCCC1)CN(Cc1ccccc1)C(=O)OC(C)(C)C 2303640075 ISVFKTVXBNGRHU-BJKOFHAPSA-N 428.617 5.001 30 10 IKEE CCCOc1cccc(C=Nn2c(CC)nnc2SCc2ccc(C(C)(C)C)cc2)c1 2318574465 LRJHDNNSXDVEMD-UHFFFAOYSA-N 436.625 6.101 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C2CC2)cc1 2320868011 SRXYPOBNPZSTMC-UHFFFAOYSA-N 445.419 6.760 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc4c3CN([C@@H](C)c3ccccc3)CO4)C2=O)cc1 2322092185 MPJHJVUKOZFAJN-SFHVURJKSA-N 427.500 5.615 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1cn(C)c4ccccc14)O3)CN([C@H]1CCCC[C@@H]1C)CO2 2322153221 LIIUMEFEDBVKIT-JTSKRJEESA-N 442.559 5.834 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1cccc(F)c1)C3=O)CN(CCc1ccc(Cl)cc1)CO2 2322286542 GUMSYQRBTBONJR-UHFFFAOYSA-N 449.909 5.798 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1ccc(F)cc1)c1ccc(-c2ccccc2)cc1 2322305716 QNODAAONOXFRFW-UHFFFAOYSA-N 442.917 7.621 30 10 IKEE O=C(C=Cc1c(OCc2cccc(Cl)c2)ccc2ccccc12)c1cccc([N+](=O)[O-])c1 2322307869 FOOGKXLQNYJNFW-UHFFFAOYSA-N 443.886 6.877 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2cccc3ccccc23)cc1C 2322415638 SVQWSCWYGKIXAQ-UHFFFAOYSA-N 442.942 7.285 30 10 IKEE CCOc1cc(C=NNc2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)c(Cl)c1 2322922373 WUGJDFDXWKMVDA-UHFFFAOYSA-N 443.374 7.034 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)c(OCC)c1 2323288696 KIIIVANEMTUKBK-UHFFFAOYSA-N 447.487 5.867 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1ccc2c(c1)OC(=Cc1ccccc1Cl)C2=O 2323396282 RNZUHXSADHLMDS-UHFFFAOYSA-N 440.882 6.258 30 10 IKEE Cc1c(OC(=O)c2cccc(Oc3ccccc3)c2)ccc2c1OC(=Cc1ccccc1)C2=O 2323561274 YTSRAEPFPRPEBW-UHFFFAOYSA-N 448.474 6.623 30 10 IKEE COc1ccc(OC)c(C=C2Oc3cc(OC(=O)C=Cc4ccccc4)cc(C)c3C2=O)c1 2323744845 JOFNHEWAOYISTF-UHFFFAOYSA-N 442.467 5.247 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OCc1c(Cl)cccc1Cl 2323872542 GOHJYUSTYCUVOW-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OCC(=O)N(CCC)CCC 2323917452 IBTSCUZYSWFNCZ-UHFFFAOYSA-N 449.591 5.656 30 10 IKEE Cc1cc(O)c(CN2C[C@@H](C)O[C@H](C)C2)c2c1C(=O)C(=Cc1c(Cl)cccc1Cl)O2 2324017927 NBFQKWBWTISMIZ-ZIAGYGMSSA-N 448.346 5.233 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)cc(Cl)c1OCc1ccc(C)cc1 2324128345 OOBPUBVEIWVKJM-UHFFFAOYSA-N 442.942 7.285 30 10 IKEE O=C1C(=Cc2c(Cl)cccc2Cl)Oc2c1ccc(O)c2CN1CCCC[C@@H]1CCO 2324140440 SQQPGKUXWMZGHK-CQSZACIVSA-N 448.346 5.052 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc3ccccc23)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 2324244805 VCZYZQLWOHWMQB-UHFFFAOYSA-N 445.421 6.501 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4cc(C)ccc4C)ccc3C2=O)cc1 2324455719 MCDWOGADGSZIIC-LJQANCHMSA-N 427.500 5.634 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc([N+](=O)[O-])cc3)n2)c(C)c1C 2324706663 QCGKJWMOXHKWEF-LJQANCHMSA-N 433.489 5.233 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1cccs1)C2=O 2325005317 RTLXFZXTCSTXOI-UHFFFAOYSA-N 433.529 5.561 30 10 IKEE COc1ccc(OC)c(C=C2Oc3cc(OCc4cccc5ccccc45)ccc3C2=O)c1 2325272303 QEXGIGPIHPOVGS-UHFFFAOYSA-N 438.479 6.052 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccc(N(CC)CC)cc1 2325528765 BJITXDKYLRVYST-UHFFFAOYSA-N 449.668 6.258 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C)n2N=Cc2ccccc2OCc2ccccc2)c1 2326589487 LFCATQGAMZSVLQ-UHFFFAOYSA-N 442.588 5.957 30 10 IKEE CCCSc1nnc(COc2ccccc2OCC)n1N=Cc1ccc(Cl)cc1 2326849028 YFUPZNGNLPPXJO-UHFFFAOYSA-N 430.961 5.294 30 10 IKEE CCCSc1nnc(COc2ccccc2Cl)n1N=Cc1ccc(OCC)cc1 2327674437 XECDPUJHWAXVRD-UHFFFAOYSA-N 430.961 5.294 30 10 IKEE CCOc1ccc(C=Nn2c(Cc3cccc4ccccc34)nnc2SC)cc1OC 2327704760 NPFDWOYFCRZKES-UHFFFAOYSA-N 432.549 5.034 30 10 IKEE C=CCSc1nnc(COc2cccc(C)c2C)n1N=Cc1ccccc1OC(C)C 2328858340 DNEAQTLVHFBPQD-UHFFFAOYSA-N 436.581 5.421 30 10 IKEE Cc1ccc(Cc2nnc(SCCCO)n2N=Cc2ccc(C(C)(C)C)cc2)cc1C 2329453396 ZIKFCOTYDXGJCN-UHFFFAOYSA-N 436.625 5.140 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(F)cc1 2329473359 UGFJZLZWZRSJLV-UHFFFAOYSA-N 448.542 5.824 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccc(F)cc2)n1N=Cc1ccccc1O 2329803662 HSHDLPHAOFTHES-UHFFFAOYSA-N 432.524 5.197 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@@H](C)c3ccccc3)n2N=Cc2cccn2C)c1 2330131279 DTSONAVFTCEBCE-FQEVSTJZSA-N 429.593 5.560 30 10 IKEE CCOc1ccc(C=Nn2c(Cc3cccs3)nnc2SCc2ccc(C)cc2)cc1 2330317024 LWYHTQLLUMODBY-UHFFFAOYSA-N 448.617 5.812 30 10 IKEE Cc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2-c2cccs2)cc1 2330621665 JUSZOYQDFWDNSU-UHFFFAOYSA-N 442.972 6.282 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)[C@H]3CCCO3)c(OC)c2)cc1 2330826104 YNLVLXYPPYYBBS-JOCHJYFZSA-N 438.520 5.027 30 10 IKEE CCCOc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCCc2ccccc2)cc1 2330852195 ZISAWHOAPDKEGQ-UHFFFAOYSA-N 436.625 5.873 30 10 IKEE Cc1cccc(CSc2nnc([C@@H]3CCCO3)n2N=Cc2c(F)cccc2Cl)c1 2330920351 FNVBNZAUDMQSEA-IBGZPJMESA-N 430.936 5.405 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2cccs2)c1C 2331029907 ODOPQAXDOQTXJJ-UHFFFAOYSA-N 439.610 5.227 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccccc3OC)cc2Cl)cc1 2331059398 UAWQWXIMKMBCFX-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)cc3)c(Cl)c2)cc1 2331195005 HPWOCJZHKVYYGB-UHFFFAOYSA-N 434.919 6.091 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2Cl)cc1 2331222453 ZUROITKREITIRY-UHFFFAOYSA-N 434.919 6.471 30 10 IKEE COc1cc(C=Nn2c(SCc3ccc(C)cc3)nnc2C(C)(C)C)cc(Cl)c1O 2331360184 MIENTHXNVSJKIW-UHFFFAOYSA-N 444.988 5.426 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OC(=O)Cc1ccc(C)cc1 2331565600 XYMPVVLTWZZVNZ-UHFFFAOYSA-N 436.454 5.716 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OC(=O)CCCOc3ccccc3)cc2)c1C 2331643760 NCWNQHCFYNZJGQ-UHFFFAOYSA-N 442.555 6.581 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1cc(C)cc(C)c1 2331657844 VCZCEGQUTOKXQS-UHFFFAOYSA-N 442.555 6.661 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc(OC)c1OC(=O)C(C)(C)C 2331660247 BAAZIZABDXZWKT-UHFFFAOYSA-N 426.509 5.177 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C3CC3)n2N=Cc2cccc(Cl)c2)c1C 2331724951 CORNRZBOSGHTKR-UHFFFAOYSA-N 439.972 5.039 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccccn2)c(Cl)c1 2331743527 JOWLVLVZKRNKDV-UHFFFAOYSA-N 442.298 5.821 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc(OC)c1OC(=O)COC 2331801443 WCSDLYVAWRZQEU-UHFFFAOYSA-N 436.548 5.478 30 10 IKEE CC1(C)C[C@@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)[C@H]1OCc1ccccc1 2339579048 PWUHNUQHNRVJFD-FYYLOGMGSA-N 434.389 5.522 30 10 IKEE CC1(C)OB(C=Cc2ccc(Nc3ccc(OCc4ccccc4)cc3)nc2)OC1(C)C 2339586983 NTUZTJBPPUKRGP-UHFFFAOYSA-N 428.341 6.049 30 10 IKEE CC(C)(C)OC(=O)N[C@@]1(C)C[C@H]2CC[C@H]1C[C@@]2(C#N)Nc1cccc(Br)c1 2381194865 HXFNKPXTVWZJKY-YQMDMEMYSA-N 434.378 5.227 30 10 IKEE O=C1SC(SCc2ccc(Cl)cc2)=N/C1=C/c1ccc(Br)s1 2834859 ARMSUFPHTTUFLW-KPKJPENVSA-N 430.801 6.068 30 10 IKEE Fc1ccc(CSc2n[nH]c(NN=C(Cc3ccccc3)Cc3ccccc3)n2)cc1 20908556 NNFOCJLTISKMAN-UHFFFAOYSA-N 431.540 5.489 30 10 IKEE C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C)nnc1-c1ccc(C(C)(C)C)cc1 21332855 HUOVUZNNBDAMDA-SFHVURJKSA-N 434.609 5.856 30 10 IKEE CCOCCCNC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccco1 21356388 ZOPMHFYKLCHVJZ-HSZRJFAPSA-N 437.540 5.032 30 10 IKEE O=C1C=CC2=C3Oc4c(ccc5cc(O)ccc45)[C@@H](c4ccccc4C(=O)O)[C@H]3C=CC2=C1 33394737 VNHHOVLAMIJEAS-NOZRDPDXSA-N 434.447 5.273 30 10 IKEE COC(=O)c1ccc(/C=C\C(=O)c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 34955109 PXSQJPPKYVCRED-WSVATBPTSA-N 442.511 5.886 30 10 IKEE O=C(/C=C/c1cccc(NC(=O)c2ccccc2-c2ccccc2C(=O)O)c1)c1ccccc1 35318018 SMVIWOQBEVIMMO-ISLYRVAYSA-N 447.490 6.200 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\Oc3ccc(Cl)cc3C2=O)c(C)c1 39842484 PKLUGLZGFWZAGZ-CFRMEGHHSA-N 442.902 6.126 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc4c(c1)OCO4)O3)CN([C@H](C)c1ccccc1)CO2 41650173 HWLCGCUWVAELMK-SAMUYDCASA-N 441.483 5.253 30 10 IKEE Cc1cccc([C@H]2C3=C(CCCC3=O)Nc3c(C(=O)Nc4ccc(C)c(C)c4)cnn32)c1 64775586 PJGBDQYDPQSIBK-DEOSSOPVSA-N 426.520 5.083 30 10 IKEE CCCCCCCCCCn1c(CCNC(=O)c2ccc(OC)cc2)nc2ccccc21 102139204 NBYMBRZMHQOKRW-UHFFFAOYSA-N 435.612 6.158 30 10 IKEE CCCCCCCCn1c(CCCCCNC(=O)c2cccc(OC)c2)nc2ccccc21 102168767 YTKCZVGZHQQMTK-UHFFFAOYSA-N 449.639 6.548 30 10 IKEE N#C[C@H](C(=O)/C=C/c1ccc(Br)s1)C(=O)Nc1cccc2ccccc12 105263190 UIWARGPXXAQQLB-XAVKZTDYSA-N 425.307 5.025 30 10 IKEE CCCCCCCOc1ccc(NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2)NC(C)=O)cc1 111239703 CPJDOPJEMMFDNS-HAVVHWLPSA-N 439.512 5.060 30 10 IKEE CCCCCCCCNC(=O)C[C@H]1S/C(=N/N=C2/CCCc3ccccc32)N=C1O 137061510 VLVBZRYNNIFOTE-CTDSJEBPSA-N 428.602 5.022 30 10 IKEE O=c1cc(-c2ccccc2)nc(N/N=C\c2cccc(OCc3ccc(Cl)cc3)c2)[nH]1 169896828 LMKRUEAGAHVOAI-YSMPRRRNSA-N 430.895 5.115 30 10 IKEE CCOc1cc(/C=N\n2c(S)nnc2C(CC)CC)ccc1OCc1ccc(C)cc1 169910239 RMUDSHXIMBOZSY-MYYYXRDXSA-N 438.597 5.639 30 10 IKEE CN(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C2CCCCC2)cc1 169956992 OCDDKSJRWHORCF-JOCHJYFZSA-N 438.955 5.317 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@H]2c2ccc(O)cc2)cc1 169959270 PWYFBQCGBPORJS-DEOSSOPVSA-N 427.500 5.300 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@@H]1c1ccccn1)c1c[nH]c2ccccc12 169995750 HMQOXODMAGATLI-RUZDIDTESA-N 445.478 5.499 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(N(CC)CC)cc1 170138769 FGSFMFNFELKBNZ-OAQYLSRUSA-N 426.944 5.175 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccc1OC(C)C 170150873 IHVDWVBZARXWOQ-VWLOTQADSA-N 443.543 6.005 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(Cl)c3)[C@H]2c2ccccn2)c1 170170570 KQERJJUHJWJGKT-HXUWFJFHSA-N 439.298 5.480 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@H]1c1cccnc1 170195869 CRVLRCVLZZUDFR-JOCHJYFZSA-N 436.552 5.156 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2)cc1C(C)C 170223412 IAFRJOROZWUUED-XMMPIXPASA-N 445.490 5.741 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(OC)ccc3Cl)[C@@H]2c2ccccc2)cc1 170224376 ALNLTFMZFAHEDD-QHCPKHFHSA-N 447.918 5.694 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4)[C@@H]3c3ccccc3)oc12 170226340 WZTLOWVQHKZRKK-JOCHJYFZSA-N 425.440 5.224 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2ccccc2)c(C)c1 170228250 RFNIJCJVDKMFHL-XMMPIXPASA-N 425.484 5.021 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2C)cc1C(C)C 170272122 ABUBLDFRFBNPOU-RUZDIDTESA-N 441.527 5.910 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@H]2c2ccco2)c1 170283216 FJZNETPBLOOGIW-QHCPKHFHSA-N 431.488 5.414 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@@H]1c1ccc(C)o1 170299956 XLUWPGFZCNDWOM-HSZRJFAPSA-N 445.515 5.613 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(N(C)C)cc1 170444850 WMQAJZWKHVUDID-OAQYLSRUSA-N 446.469 5.287 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2ccc(OC(C)C)cc2)c1 170472630 SCVNJSNGMNYMKL-QFIPXVFZSA-N 437.536 5.388 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)[C@@H]1C(=O)N(c2ccccc2)N=C1C 196021119 HEIJXJMIKNZPHN-HHHXNRCGSA-N 440.672 7.856 30 10 IKEE Clc1ccc(C=Nc2c(-c3ccc(Cl)cc3Cl)nc3ccccn23)c(Cl)c1 252627377 RSYYKYVSEDRBCR-UHFFFAOYSA-N 435.141 7.366 30 10 IKEE COc1ccccc1N=Cc1c(O)c(C(=O)Nc2ccccc2OC)cc2ccccc12 254501115 KEGFHTCSYGMFGV-UHFFFAOYSA-N 426.472 5.566 30 10 IKEE O=[N+]([O-])c1ccc(OCCCOc2ccccc2)c(C=NNc2nc3ccccc3s2)c1 254558050 CIMPAWGZUMXNIW-UHFFFAOYSA-N 448.504 5.498 30 10 IKEE CC(C)(C)[C@H]1CCc2nc(SCC(=O)Nc3cccc4ncccc34)c(C#N)cc2C1 261526934 QUJWGEPQYXRHIJ-SFHVURJKSA-N 430.577 5.383 30 10 IKEE CC(C)COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccncc2)c1 526517285 RAVKNCMAQHCWRJ-DEOSSOPVSA-N 425.488 5.045 30 10 IKEE CCCCCOc1ccc(/C=N\n2cnnc2SCc2c(Cl)cccc2Cl)cc1 526813981 IDTRTNLVHPXWLK-MXAYSNPKSA-N 449.407 6.328 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1ccc([N+](=O)[O-])cc1 526815285 QFFRVCVXXCFGBO-FBHDLOMBSA-N 436.324 5.230 30 10 IKEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-c3ccccn3)nc2O)cc1Cl 609164850 YJXUWAVULANSRI-FQEVSTJZSA-N 440.890 5.410 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2cccc(I)c2)c1 698417557 JDVVFTJVAQMHDD-SFHVURJKSA-N 448.304 5.606 30 10 IKEE CC(C)(C)OC(=O)N(C1CC1)[C@@H](C#N)c1cc(Br)c(Br)s1 698825111 UHNHJNGUTDFBPC-JTQLQIEISA-N 436.169 5.237 30 10 IKEE CC(C)(C)OC(=O)N1CCC([C@](C)(C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)CC1 698896884 DRHOTCYJWWFXDE-QHCPKHFHSA-N 449.617 5.415 30 10 IKEE C=C(C)C[C@H](NCCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 708565138 WUVVLDWOHVTAKW-RBUKOAKNSA-N 425.411 5.219 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 710819112 FQYYHVKDLLVKEV-MWTRTKDXSA-N 449.979 5.621 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCC[C@H](CNC(=O)OC(C)(C)C)C1 724090161 PXAXLGVEKMPJCX-DFBJGRDBSA-N 443.588 5.714 30 10 IKEE O=S(=O)(Nc1ccccc1)c1ccc(N=Cc2ccc(OCc3ccccc3)cc2)cc1 725428839 PIDAMBZPHIIRGT-UHFFFAOYSA-N 442.540 5.817 30 10 IKEE CCN1C(=O)C[C@H](C(=O)Nc2ccc(Cl)cc2)SC1=Nc1ccc(C)c(Cl)c1 725428882 YRSBAFSDTNRSPK-QGZVFWFLSA-N 436.364 5.282 30 10 IKEE CC[C@H](C)c1ccc(N=Cc2cc(Br)c(I)o2)cc1 1083890338 JTYCHHFPCVIOTK-JTQLQIEISA-N 432.099 5.911 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)CSc2n[nH]c(NN=C(C)c3ccc(F)cc3)n2)cc1 1083980106 APMCCRQVBMBDOZ-CQSZACIVSA-N 440.548 5.024 30 10 IKEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1CCc1ccc(OC(F)(F)F)cc1 1300805798 INDNOIGSLDYVTP-JOCHJYFZSA-N 434.506 5.000 30 10 IKEE CCCCCCCCCCCCCCCCOc1ccc(C2=CS[C@H](CNN)[N]2)cc1 1615950166 CABXUQIDZXFSKA-AREMUKBSSA-N 446.725 6.986 30 10 IKEE C=CCN(Cc1cccs1)c1nnc(-c2nnc(O)c3ccccc23)n1CCC=C(C)C 1749551312 VZIHKXNUCYIYKA-UHFFFAOYSA-N 446.580 5.204 30 10 IKEE CC(=C/c1ccccc1)/C=C1/SC(=Nc2cccnc2Cl)N(c2ccccc2)C1=O 1772732040 BUQOWYFZFGSFKK-YUMOGVOISA-N 431.948 6.490 30 10 IKEE CC(C)c1ccc(/C=C2\SC(=Nc3ccncc3Cl)N(C3CCCCC3)C2=O)cc1 1772739208 YVUFMZCMUWIPGH-NEAWXCLQSA-N 440.012 6.795 30 10 IKEE Cc1ccc(NC(=S)N/N=C\c2cn(-c3ccccc3F)nc2-c2ccccc2)cc1 1857810497 LMPNFUYFYJVEOW-YSMPRRRNSA-N 429.524 5.307 30 10 IKEE COc1ccc(NC(=S)N/N=C\c2cn(-c3ccc(C)cc3)nc2-c2cccs2)cc1 1857812007 NVVJMLAOGXXFJJ-OYKKKHCWSA-N 447.589 5.238 30 10 IKEE N#Cc1cccc(NC(=O)Oc2ccc(CNC(=O)c3ccccc3C(F)(F)F)cc2)c1 1858909367 HLUMIINTWJDLLO-UHFFFAOYSA-N 439.393 5.118 30 10 IKEE CC(C)COc1ccccc1C(=O)Nc1ccc(CC(=O)Nc2ccc(C#N)cc2)cc1 1859132201 RXWINFVCXSRLPM-UHFFFAOYSA-N 427.504 5.027 30 10 IKEE CCCCCCCCCCNC(=O)c1nn(-c2ccc(Br)cc2)c(C)cc1=O 1859577693 JQKGYEDURURZMR-UHFFFAOYSA-N 448.405 5.174 30 10 IKEE CC(C)(C)c1csc(NC(=O)C(=O)Nc2nc3c(s2)C[C@@H](C(C)(C)C)CC3)c1C#N 1860767762 GYGZYCIMKXBLIK-LBPRGKRZSA-N 444.626 5.102 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)c1cccc(Br)c1 1861327618 WNQXPXJZCQZUPI-HXUWFJFHSA-N 439.438 5.605 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2C2CC2)cc1 1862409253 GHOFNRCGBNOZEG-XMMPIXPASA-N 449.547 5.313 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862444661 DCTKPARQNRKZEW-XDHUDOTRSA-N 445.946 6.242 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862473398 AXWWHXUKRPBLEE-RUZDIDTESA-N 429.560 6.026 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cc(Cl)cc(Cl)c1 1862482269 LOCCYSLYAXDPKL-HXUWFJFHSA-N 448.346 5.307 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2cccc(F)c2)c1 1862488539 BUOYHKGFBPTSDG-VWLOTQADSA-N 443.518 5.654 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccc(C)cc2)c1 1862488854 JRUJAYKANXHZQZ-RUZDIDTESA-N 441.527 5.399 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc(F)cc2)ccc1F 1862502084 QUSGJZZSPMEAKY-JEWAVWJGSA-N 425.475 5.430 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1C 1862580275 GBWBXURRXUSCJV-OAQYLSRUSA-N 446.374 6.460 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCc2ccc(Cl)cc2)c1 1862674837 VLIRYNBIAMIWPI-QHCPKHFHSA-N 449.909 5.609 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(Br)cc1 1862681130 SKBIAHXXBHLBRM-IBGZPJMESA-N 446.316 5.357 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2ccccc2C)c1 1862699330 SMVQNMNWNHMOAU-DEOSSOPVSA-N 427.500 5.091 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccccc3Cl)C2=O)c1 1863033181 AOMGRHOCSJSFGA-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE N#Cc1cccc(NC2=C(c3cccc4ccccc34)C(=O)N(Cc3ccc(F)cc3)C2=O)c1 1863226015 PFSDUZBUTPXXQS-UHFFFAOYSA-N 447.469 5.243 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N[C@H](C)c1cc(C)ccc1OCC 1866029384 ACXOFLZOPXPQRF-AREMUKBSSA-N 445.732 8.832 30 10 IKEE CN(CC(C)(C)c1ccccc1)c1cc(Nc2ccc(C#N)cc2)nc(Cc2ccccc2)n1 1868220010 RVGZLONKZCQPRA-UHFFFAOYSA-N 447.586 6.097 30 10 IKEE CCCCCCCCCCNC(=O)Cc1c(C)nn(-c2ccc(Br)cc2)c1C 1869931021 JQZPPUOWYQSEKX-UHFFFAOYSA-N 448.449 6.051 30 10 IKEE C=CCn1cc(OCc2ccccc2)c(=O)cc1CSc1ccc(Br)cc1 1870270203 BMFQLYFATHNZOR-UHFFFAOYSA-N 442.378 5.668 30 10 IKEE C=CCOc1cn(CCC)c(CNc2ccc(OCc3ccc(Cl)cc3)cc2)cc1=O 1870808247 RKNIEVLDLAYKOK-UHFFFAOYSA-N 438.955 5.668 30 10 IKEE Cc1cc(C)cc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCC(C)C)c1 1871255261 RYBMOZYPXPJCPQ-UHFFFAOYSA-N 429.564 5.574 30 10 IKEE Cc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc2c1C(=O)/C(=C/c1ccccc1)O2 1871374118 RWIGCFLMMNISCL-JMIUGGIZSA-N 435.819 5.392 30 10 IKEE Cc1c(OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)ccc2c1O/C(=C\c1cccc(F)c1)C2=O 1871377481 NADJFKJKGQFSAW-POGMTIRKSA-N 445.402 5.277 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3c(ccc(OC(=O)/C=C/c4ccccc4)c3C)C2=O)c1 1871385461 UHCLHZVPWDVPPE-XPGPHDSVSA-N 442.467 5.247 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)c1 1871387017 DLCIOISVJBVRAN-UUYOSTAYSA-N 434.875 5.883 30 10 IKEE C=CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2Cl)C3=O)c1 1871388962 RCEHHFGZXOUMSJ-UCQKPKSFSA-N 446.886 6.049 30 10 IKEE O=C1/C(=C/c2ccccn2)Oc2c1ccc(O)c2CN(C1CCCCC1)C1CCCCC1 1871392988 HSAHHWTZSULHHS-UQQQWYQISA-N 432.564 5.871 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccccc4Cl)ccc3C2=O)cc1 1871405829 QMBWVVAPCQVLSN-DNPFKWNUSA-N 447.918 5.925 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)c(C)c1 1871410587 FIGCYRIUMQVFGF-GHRPQRKGSA-N 431.463 5.465 30 10 IKEE Cc1cccc(C(C)C)c1NC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O 1871422287 IXZLXNFSIWKHHF-CFRMEGHHSA-N 445.490 5.891 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(C(C)C)cc2)[nH]c(N2CCCC2)n1 1871507610 ZHTWTYAPGADJND-UHFFFAOYSA-N 438.664 6.313 30 10 IKEE C=CCN(CC=C)c1nc(=NCc2ccc(Cl)cc2)nc(Nc2ccc(C)c(C)c2)[nH]1 1871528306 ZMODWAAZXZADHS-UHFFFAOYSA-N 434.975 5.098 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1ccccc1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872412227 GNYLAMFPODUANR-QHCPKHFHSA-N 442.625 5.294 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1 1872496863 LEGQLKXZUAJGQN-QFIPXVFZSA-N 449.016 5.331 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCC)=C(c2cccc(Cl)c2Cl)C1=O 1873127552 UVBBOBVUHAJJPM-UHFFFAOYSA-N 425.400 5.824 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(CCCC)cc2)=C(c2ccccc2)C1=O 1873415024 FNWPBCDXTHORMA-UHFFFAOYSA-N 432.608 6.582 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc2c(N(C)CCCC)ncnc21 1873665668 QOSIGGZZJWESMD-UHFFFAOYSA-N 447.461 5.005 30 10 IKEE CCCSc1nnc(CCCOc2ccc(OC)cc2)n1/N=C/c1ccc(Cl)cc1 1874221328 FVSRZGXOPNAZTA-LFVJCYFKSA-N 444.988 5.336 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCCc2ccccc2)n1/N=C/c1cccs1 1874300479 KQQRAHPDCMYFMN-PCLIKHOPSA-N 448.617 5.752 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccco1 1874393387 LGDQRXPCGVCXES-YQCVNYCESA-N 433.493 5.106 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@@H](C)c3ccccc3)n2/N=C/c2ccc(O)cc2)c1 1874395358 KWVPCMTXPVXEGZ-BJRSOBTISA-N 442.588 5.927 30 10 IKEE CCCOC(=O)CSc1nnc(-c2cccs2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874425452 JWSNQFYIRCFKQP-OEAKJJBVSA-N 442.610 5.232 30 10 IKEE COc1cc(/C=N/n2c(SC)nnc2C2CCCC2)ccc1OCc1ccc(C)cc1 1874451714 MNPJEKVNMYNEPV-MFKUBSTISA-N 436.581 5.436 30 10 IKEE CCCCCCOc1ccc(/C=N/n2c(SCC)nnc2-c2ccco2)cc1OC 1874465236 YSMMLXBUQYJNAR-XQNSMLJCSA-N 428.558 5.500 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccccc1C(=O)O 1874480885 NAPXGTHTTWWWJY-WYMPLXKRSA-N 446.935 5.286 30 10 IKEE CCCCOc1ccc(/C=N/n2c(C)nnc2SCc2ccccc2F)cc1OC 1874531454 KEBOAFROYNXQFG-ZVHZXABRSA-N 428.533 5.088 30 10 IKEE Cc1ccc(OCCCc2nnc(S)n2/N=C/c2cccc(Oc3ccccc3)c2)cc1 1874566571 CSCFSLZNAJJZIK-NLRVBDNBSA-N 444.560 5.561 30 10 IKEE O=C(COc1ccccc1/C=C/C(=O)c1ccc(Cl)c(Cl)c1)NC1CCCCC1 1874579006 RTDSOVFPRRNLCQ-ACCUITESSA-N 432.347 5.717 30 10 IKEE O=C(/C=C/c1cc(Br)ccc1OCCCO)c1ccc(Cl)c(Cl)c1 1874579053 UNQPOCCOMLWMRW-ZZXKWVIFSA-N 430.125 5.413 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3ccccc3c2/C=C/C(=O)c2cc(C)ccc2C)cc1 1874580253 FRLFJYVBBXROOM-FOCLMDBBSA-N 449.550 6.679 30 10 IKEE CC(C)COC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccc2c(c1)OCCO2 1874581807 HAQJFMWINDHSOC-MDZDMXLPSA-N 446.499 5.085 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OCC(=O)Nc1ccc(C)c(C)c1 1874595437 LHVIKXVJKHGAHJ-DHZHZOJOSA-N 449.934 5.879 30 10 IKEE CCOc1c(OC)ccc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)c1Br 1874598263 DAUAXRLRZWXZDF-CSKARUKUSA-N 447.369 6.193 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3F)c(OCC)c2)cc1 1874616972 CRLCFKBMQYSZTD-OQLLNIDSSA-N 434.507 6.488 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)c(OCC)c1 1874634480 DUTAEFKNWCTAFM-RVDMUPIBSA-N 446.543 6.276 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)C23CC4CC(CC(C4)C2)C3)c1)c1ccc2ccccc2c1 1874693649 PTOBWDRWFXRDNU-DHZHZOJOSA-N 436.551 6.858 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1OC(=O)c1cccc(F)c1 1874695117 LKUZPSIJTAOCBW-WEVVVXLNSA-N 445.273 6.256 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3cccc(Br)c3)c2)c1 1874703249 HAWDFZAQNIAWQP-VAWYXSNFSA-N 435.317 6.181 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(F)cc2)CSc2nnc(-c3ccco3)n21 1874909415 KJZPTTKNOVYRIU-IBGZPJMESA-N 442.560 5.739 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)cc1)c1cccc([N+](=O)[O-])c1 1875085249 WPKANUCYCOIIIX-SELKBFNUSA-N 447.874 5.853 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OC(=O)Cc1ccc(F)c(C)c1 1875113380 ZFBNZSVVFXHNGI-AWNIVKPZSA-N 448.490 5.586 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)c1ccc(Cl)c(Cl)c1 1875134197 NEJBDSZCETYKFP-KGVSQERTSA-N 431.702 6.762 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1OC(=O)c1cncc(C)c1 1875136506 BVEUVJJBKDOVOZ-JXMROGBWSA-N 446.459 5.121 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2ccc(F)cc2)c([N+](=O)[O-])c1 1875143440 ZOYBHTFQVVGSRA-UXBLZVDNSA-N 449.434 5.095 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)c3cccc(C)c3)c(Cl)c2)c1 1875145532 LTABTDCVKXNHSM-JXMROGBWSA-N 436.891 5.781 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2)cc1 1875155850 CQDYCGNLAJSZPP-GIJQJNRQSA-N 428.528 6.253 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1 1875156307 SZDPGJFWENFHTD-FZSIALSZSA-N 449.344 6.688 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)c1ccc(F)c(F)c1 1875157527 BZLPNZZUEZACDZ-XNWCZRBMSA-N 446.808 5.881 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)CCCSC)c([N+](=O)[O-])c1 1875170931 XBMOLAYCAXKGFN-VQHVLOKHSA-N 443.521 5.165 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2OC)ccc1OC(=O)c1cccs1 1875176257 DPYIBXKOFGSRGY-YRNVUSSQSA-N 438.501 5.279 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc(Cl)c1OC(=O)C1CCC1 1875191151 FNVUGFGBNRCRDP-VMPITWQZSA-N 439.722 6.257 30 10 IKEE CC#CCCCC[C@H](NCC)c1cc(I)ccc1Br 1885226203 BNKKRNPDZRENJT-INIZCTEOSA-N 434.159 5.288 30 10 IKEE N#Cc1cccc(N2CCN(C(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)CC2)c1 1890821818 FCDYAUDUTZFBMK-UHFFFAOYSA-N 435.449 5.206 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1[C@@H](C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1937960093 KJXCFZAEVZMPLU-KBAYOESNSA-N 435.590 5.023 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@](C)(NC(=O)OC(C)(C)C)C1CCCCC1 2024527814 LFCDXIXVSCWLKC-JYFHCDHNSA-N 430.633 5.601 30 10 IKEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccccc1NC(=O)OC(C)(C)C 2031832388 PNEIHZJHIDBRRJ-FQEVSTJZSA-N 446.592 5.177 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C3CCCCCC3)[C@H]2C1 2032050243 GFWIOWWWEFUMGL-KHOMTPLRSA-N 447.620 5.486 30 10 IKEE C=C(CO)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)C(=O)CC[C@@]34C)[C@H]12 2053578085 ZUBZPUNHXGLZSQ-NTCNNDGISA-N 440.712 7.205 30 10 IKEE CC1(C)CC=C(C(=O)CC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)CC1 2061192081 MKIGYNFXTOGZOQ-UHFFFAOYSA-N 440.628 5.642 30 10 IKEE N#Cc1c(C(F)(F)F)nn([C@@H](c2ccc(C(F)(F)F)cc2F)C2CCC2)c1Cl 2079955792 AGRLSKIWQFGWNI-CYBMUJFWSA-N 425.735 5.974 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)C[C@H]2C[C@H]1CC2(F)F 2101411659 PYKFKOGSFWVNHL-VEVIJQCQSA-N 427.289 5.518 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1cnc(C2CC2)s1 2116334514 YQGNGBJRPNHVRI-OAHLLOKOSA-N 434.359 5.789 30 10 IKEE C=CCN(CC[C@@H](NCCC)c1cc(C)cc(Br)c1)C(=O)OC(C)(C)C 2134104517 IHKFWQNALIZRQP-LJQANCHMSA-N 425.411 5.611 30 10 IKEE C=CCCCCC[C@@H](NCC)c1ccc(Br)cc1I 2142287446 DJMHNYKGRKWLQU-MRXNPFEDSA-N 436.175 5.841 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H](Nc2ccc(Br)cc2C#N)Cc2ccccc21 2162387993 SYEPKTSICGKEMP-KRWDZBQOSA-N 428.330 5.099 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1cnc(C2CCC2)[nH]1 2197504428 UUHGWXONXSNQBN-KRWDZBQOSA-N 431.334 5.446 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCCC)c2ccc(Br)cc2CC)C1 2237538132 XPZZFMSBNKQMIL-LJQANCHMSA-N 437.422 5.666 30 10 IKEE COc1cccc(C#CC(=O)c2cc(Br)cc(NC(=O)OC(C)(C)C)c2)c1 2237853688 IYCPRILIIDPEDA-UHFFFAOYSA-N 430.298 5.039 30 10 IKEE CCN[C@H](C#Cc1ccc(Cl)cc1)c1scc(Br)c1Br 2239567173 DRJLFNVOSLRFMC-CYBMUJFWSA-N 433.596 5.629 30 10 IKEE C=C(C)CCCC[C@@H](NCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2250128149 FOAPKCNZUMYDPQ-BVAGGSTKSA-N 429.649 5.270 30 10 IKEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)[C@H](C)C(C)(C)C)c1 2267605095 SBWQBUYHEUEJOP-HXUWFJFHSA-N 435.417 5.371 30 10 IKEE CCN[C@H](CC#CC1CCCC1)c1cc(Br)ccc1I 2289873925 HWLCIZWSQJGLKY-QGZVFWFLSA-N 446.170 5.288 30 10 IKEE C[C@@H]1CCCCN1Cc1c(O)ccc2c1OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2296595919 WUEDDSYVZIQZJQ-LJQANCHMSA-N 425.528 6.050 30 10 IKEE CC[C@]1(C)C[C@](CCN=Cc2ccc(OC)c(OC)c2)(c2ccccc2OC)CCO1 2297709303 HXQQXLYXXSIJSC-CLJLJLNGSA-N 425.569 5.439 30 10 IKEE O=C1C(=Cc2ccc(-c3ccccc3)cc2)Oc2cc(OCc3ccccc3Cl)ccc21 2314437191 FYKKVURRTAVQGP-UHFFFAOYSA-N 438.910 7.202 30 10 IKEE Cc1ccc2c(c1)C(=O)C(=Cc1cn(-c3ccccc3)nc1-c1ccc3c(c1)C[C@H](C)O3)O2 2314519264 GWFZLJVDHZOYSN-SFHVURJKSA-N 434.495 5.787 30 10 IKEE O=C1C(=Cc2ccccc2Br)Oc2cc(OCc3cccc(F)c3)ccc21 2321885770 FEBLUZJSIQNLLE-UHFFFAOYSA-N 425.253 5.783 30 10 IKEE Sc1nnc(C2CCC2)n1N=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1 2321901645 AQOSYBOQPUYSAP-UHFFFAOYSA-N 433.364 5.602 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc4c3CN(CCc3ccc(F)cc3)CO4)C2=O)cc1 2321936918 HYYUOMULRGKJQX-UHFFFAOYSA-N 429.491 5.399 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(Cl)cc2Cl)c1OCc1ccc(C)cc1 2322391324 SBKFJTYZMVSJTD-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE CCOc1ccccc1C=C1Oc2c(cc3c(c2C)OCN([C@@H]2CCCC[C@H]2C)C3)C1=O 2322391866 YTTICJALBRWRHW-VGOFRKELSA-N 433.548 5.741 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C)cc2)c1OCC(=O)N[C@@H](C)c1ccccc1 2322600672 YSSLCWOORHPVRW-FQEVSTJZSA-N 429.516 5.156 30 10 IKEE Cc1cc(OC(=O)c2ccco2)cc2c1C(=O)C(=Cc1ccc(Br)cc1)O2 2322657671 HOXCLONTCHWSHY-UHFFFAOYSA-N 425.234 5.186 30 10 IKEE COc1cccc2cc(C(=O)Oc3ccc4c(c3)OC(=CC=Cc3ccccc3)C4=O)oc12 2322856876 DZJIIKFIGYUJJD-UHFFFAOYSA-N 438.435 5.833 30 10 IKEE C=C(C)COc1c(OC)ccc(C=CC(=O)c2ccc(OC)c(C)c2)c1Br 2323078764 PZLWUFWQHMFYHJ-UHFFFAOYSA-N 431.326 5.626 30 10 IKEE CCCCCCCCCOc1ccc(C=NNc2nc(O)nnc2C(C)(C)C)c(Cl)c1 2323301619 RUHAUDRTGSGDHA-UHFFFAOYSA-N 448.011 6.104 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cccc(OCc3ccc(Cl)c(Cl)c3)c2)c(C)c1 2323302513 PLLPANOZIPDYOU-UHFFFAOYSA-N 425.355 7.394 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2323370514 OBSXKQMRUPDFSX-UHFFFAOYSA-N 434.875 5.503 30 10 IKEE O=C(C=Cc1ccc(OCc2c(F)cccc2Cl)c(Cl)c1)c1ccc(Cl)cc1 2323790388 ZNJQQRAEMHMAMP-UHFFFAOYSA-N 435.709 7.261 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(OC)cc2)C3=O)c1 2323795986 MMHBHQGGBLCBGS-UHFFFAOYSA-N 430.456 5.238 30 10 IKEE CCOc1cc(OCC)c([N+](=O)[O-])cc1C=NNc1nc(-c2ccccc2)c(C)s1 2323870678 PLBFNDSIWXTDRW-UHFFFAOYSA-N 426.498 5.270 30 10 IKEE Cc1cc(O)c(CN(C)C2CCCCC2)c2c1C(=O)C(=Cc1cn(C)c3ccccc13)O2 2324073904 VMYPHRBRIAUIHB-UHFFFAOYSA-N 430.548 5.573 30 10 IKEE CCCCN(CC)Cc1c(O)ccc2c1OC(=Cc1cn(C)c3ccc(OC)cc13)C2=O 2324123953 PVYYXKPWTQJKBA-UHFFFAOYSA-N 434.536 5.131 30 10 IKEE CC(C)(C)c1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 2324356606 AAYDATZPZKBURT-XMMPIXPASA-N 440.612 6.876 30 10 IKEE COc1cc(C=CC(=O)[C@H](C#N)c2nc(C(C)(C)C)cs2)cc(Br)c1OC 2324515887 XUIUQUAEKKENLX-ZDUSSCGKSA-N 449.370 5.110 30 10 IKEE COc1ccc(C=C2Oc3cc(OCCCOc4ccc(C)cc4)ccc3C2=O)c(OC)c1 2324545166 NLAXFSKGDJMINO-UHFFFAOYSA-N 446.499 5.476 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(O[C@@H](C)C(=O)Nc3c(C)cccc3C)c2C)C1=O 2325145452 BSODBJOHTIXJJW-SFHVURJKSA-N 447.556 6.004 30 10 IKEE Cc1cc(OCC(=O)Nc2c(F)cccc2F)cc2c1C(=O)C(=CC=Cc1ccccc1)O2 2325512715 HLPSEMUDWWKOEG-UHFFFAOYSA-N 447.437 5.463 30 10 IKEE CCCOc1c(C=Nn2c(CCC)nnc2SCc2ccc(F)cc2)cccc1OC 2325549672 DPZLGJQCFOYLNL-UHFFFAOYSA-N 442.560 5.342 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(OCC(C)C)cc3)c2)cc1 2325719405 WSVIBBPWZACFAC-UHFFFAOYSA-N 430.500 5.845 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1OC(=O)Cc1ccccc1 2325736637 CQMPQFURXHLFSU-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1OC(=O)c1cccc(C)c1 2325736748 ROZAUDDWIWFOJX-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2cccc(OC(=O)CC3CCCCC3)c2)cc1Cl 2325759462 HSCJSRFYLSBLFM-UHFFFAOYSA-N 442.939 6.129 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1cccc(OCC(C)C)c1 2326252203 MXYMLGGSUSLGBT-UHFFFAOYSA-N 440.588 5.969 30 10 IKEE CC(C)(C)c1ccc(CSc2nncn2N=Cc2ccc(O)c(Br)c2)cc1 2326315284 DMWFVRIEVXSIHL-UHFFFAOYSA-N 445.386 5.218 30 10 IKEE C=C(C)CSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1ccc(C)cc1 2326389301 RRIJUJDXPNCFRS-UHFFFAOYSA-N 434.609 5.765 30 10 IKEE CCCCC1CCC(c2nnc(SCC)n2N=Cc2ccc(Cl)c(Cl)c2)CC1 2328155731 XANHOSNKYDJPGQ-UHFFFAOYSA-N 439.456 7.043 30 10 IKEE COc1ccc(CCc2nnc(SCc3ccccc3C)n2N=Cc2cccs2)cc1 2328571538 AXRXXWMAXWSUQI-UHFFFAOYSA-N 448.617 5.616 30 10 IKEE Oc1ccccc1C=Nn1c(CCCOc2ccccc2)nnc1SCc1ccccc1 2328745014 ZCTQNNNVNQRAJA-UHFFFAOYSA-N 444.560 5.170 30 10 IKEE Cc1ccccc1C=Nn1c(CCOc2ccccc2)nnc1SCc1ccccc1F 2329210208 KVYBSHXVPQTGQV-UHFFFAOYSA-N 446.551 5.522 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccccc3)nnc2[C@H](C)c2ccccc2)cc1 2330108490 NGYASLBBODVZIV-HXUWFJFHSA-N 442.588 6.003 30 10 IKEE Cc1cccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2[C@H](C)c2ccccc2)c1 2330128832 POBSRLOVVXQRPC-LJQANCHMSA-N 447.007 6.566 30 10 IKEE CN(C)c1ccc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccccc2)cc1 2330270049 PTNVUGYTNNWEJJ-UHFFFAOYSA-N 433.625 5.641 30 10 IKEE Oc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccccc2F)c(O)c1 2330272942 WKUATHFDWZRFTJ-UHFFFAOYSA-N 440.544 5.126 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(CC2CCCCC2)n1N=Cc1ccc[nH]1 2330309805 GIKPRAACOUQXFC-UHFFFAOYSA-N 431.968 5.696 30 10 IKEE Fc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCCc2ccccc2)c(F)c1 2330492862 CTWSQUBIWVDIQO-UHFFFAOYSA-N 434.515 5.364 30 10 IKEE CN(C)c1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2-c2ccccc2)cc1 2330653798 JTLZWBGZJNRLFP-UHFFFAOYSA-N 431.540 5.325 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2F)c(Cl)c1)c1ccc2c(c1)CCCC2 2330683690 JKTIKVKWGSMPPJ-UHFFFAOYSA-N 434.894 6.473 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)cc(Cl)c1OC(=O)c1ccccc1 2330752581 UIYOPHVEDKWAAW-UHFFFAOYSA-N 434.919 6.416 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)cc3)c(Cl)c2)cc1 2330831019 ACJDBUBJEBHESD-UHFFFAOYSA-N 446.974 7.035 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(CC(C)(C)C)n2N=Cc2ccccc2C)o1 2330835166 ATJSLACPAWSAEW-UHFFFAOYSA-N 440.569 5.119 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2cccc(F)c2)nnc1C1CCCC1 2331048553 ZVDKHMLFSKSCOH-UHFFFAOYSA-N 436.556 5.814 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)COc1c(C)ccc(C)c1C 2331179215 YANFKPWQRVTGBK-UHFFFAOYSA-N 444.527 5.891 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2N=Cc2cccc(C)c2)cc1 2331180331 ZZUXUVAJFXHPGS-UHFFFAOYSA-N 445.548 5.022 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(OC(C)=O)cc3)cc2)cc1 2331189527 TYALRZUCGOUYLY-UHFFFAOYSA-N 430.456 5.126 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3ccccc3)cc2)cc1 2331189529 UHNOPTKWKFFFBG-UHFFFAOYSA-N 430.500 5.746 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3Cl)c(Cl)c2)ccc1F 2331337371 UHOAQMRKCCNNGY-UHFFFAOYSA-N 443.301 6.485 30 10 IKEE CCc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C(C)(C)C)cc1 2331402396 WSVSDQAUBDOPGN-UHFFFAOYSA-N 428.605 6.466 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)c3ccccc3)c(Cl)c2)cc1F 2331455600 AUHNSZJUDOMPKM-INIZCTEOSA-N 438.882 6.093 30 10 IKEE COc1cc(C=Nn2c(SC)nnc2C2CCC2)ccc1OCCCc1ccccc1 2331478547 JOJKOTJBXIXMSF-UHFFFAOYSA-N 436.581 5.170 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1 2331659522 SACGZXDPBWNWIY-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)c(Cl)c2)cc1C 2331706372 IMQSHIOVLTWMHH-UHFFFAOYSA-N 446.974 7.370 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2[N+](=O)[O-])cc1 2331706752 VSFSDUIWSVJLHV-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)c(OC)cc2C)cc(Cl)c1OC(=O)C(C)C 2331851747 KDBMLWABBZWSSS-UHFFFAOYSA-N 430.928 5.822 30 10 IKEE CC(C)c1ccc(-n2nnc(C#N)c2NC(=O)C=Cc2ccc(Cl)cc2Cl)cc1 2332187428 NOGKDIGEYMACGI-UHFFFAOYSA-N 426.307 5.221 30 10 IKEE C[C@@H](Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C(C)(C)CNC(=O)OC(C)(C)C 2339595931 FNORGVAYSSBIFA-TUQDCPSNSA-N 446.397 5.044 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(C)cc(Br)c1OC 2365216567 VTHIEOLMJORXOG-ROUUACIJSA-N 441.410 5.276 30 10 IKEE CC(=O)Oc1ccc(-c2ccc(/C=N/c3ccc(C)cc3C(=O)c3ccccc3)cc2)cc1 1952950 HZIGHGSQOSDYHG-NDZAJKAJSA-N 433.507 6.569 30 10 IKEE COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(OC)c2O)cc1 21246640 KSVMEUICVNDMHB-QUGAMOGWSA-N 442.515 5.389 30 10 IKEE C=CCn1c(SCC(=O)N[C@H](CCC)c2ccccc2)nc2sc(C)c(C)c2c1=O 21253668 QVGHSEOXISGGHS-GOSISDBHSA-N 441.622 5.011 30 10 IKEE CC(C)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1 21255109 QXPILELFXABMFP-LYZGTLIUSA-N 442.990 7.443 30 10 IKEE CCc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(OC)c(O)c2)cc1 21260145 BMMPYNLHDQZNJR-WTYVLRPYSA-N 440.543 5.943 30 10 IKEE C[C@@H](Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)C(=O)Nc1ccccc1C#N 24508973 LXHGQDMQMZIQQM-OAHLLOKOSA-N 444.874 5.391 30 10 IKEE Cc1ccccc1N/C(=N\C(=O)c1cccc(Cl)c1)NCCc1c[nH]c2ccccc12 32943052 QDRHIDRJYZBWOD-UHFFFAOYSA-N 430.939 5.570 30 10 IKEE CCn1c2ccccc2c2cc(NC(=O)COc3ccc(-c4ccc(C#N)cc4)cc3)ccc21 33588042 MZQNEWQBGAPYIX-UHFFFAOYSA-N 445.522 6.371 30 10 IKEE CC(=O)Nc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 39850943 BVSZWZXSSLUKKD-LFIBNONCSA-N 441.918 6.047 30 10 IKEE COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2OC(F)F)C3=O)c1 41287744 RSQYYSLWMNKIKZ-MTJSOVHGSA-N 438.382 5.132 30 10 IKEE C=CCn1c(SCCC(=O)Nc2ccc(Cl)c(OC)c2)nnc1-c1ccc(F)cc1 59803574 FMVMWNDAGRQJFS-UHFFFAOYSA-N 446.935 5.053 30 10 IKEE CCCCCCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccccc2F)c1 98021443 RKCZPVBTPGZZOU-XMMPIXPASA-N 428.573 6.293 30 10 IKEE CCCCCCCOc1ccc(NC(=O)c2ccccc2OCCOc2ccccc2)cc1 100161038 PUEJAGARGOLRRY-UHFFFAOYSA-N 447.575 6.746 30 10 IKEE CCCCCCCOc1ccc(NC(=O)c2ccc(OCCc3ccccc3)cc2)cc1 100164312 RDXUOBSGUVFIJZ-UHFFFAOYSA-N 431.576 6.910 30 10 IKEE Cc1ccc(N2C(=O)/C(=C3/Sc4ccccc4N3C)S/C2=N/C2CCCCC2)cc1 100267085 ORCVMQIXEABWQC-DIQLGICBSA-N 435.618 6.175 30 10 IKEE C/N=C1/Sc2nc3c(cc2CN1C1CCCCC1)c(C(C)(C)C)nn3-c1ccccc1 101504863 BHLZWBSISMQIQR-SHHOIMCASA-N 433.625 5.944 30 10 IKEE CCCCCCCCCCCCO[C@@H](CC(OCC)OCC)n1nnc2ccccc21 103005416 PYVFFBFMLAMARI-DEOSSOPVSA-N 433.637 6.657 30 10 IKEE Cc1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)cc1 103107537 TUGQIINDJIIWLG-SADKCHQCSA-N 438.310 5.928 30 10 IKEE CCCCCCCCCCCCCC[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)[C@@H]1COC(C)(C)O1 103723460 LGWUPCHVFJGQAF-GPJHCHHRSA-N 428.654 6.110 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccc2OC)cc1 169946228 VNGQNYNSZOLYIU-XMMPIXPASA-N 443.499 5.185 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(OC(C)C)cc1 169978898 LJRNGOFXTFWWOH-QHCPKHFHSA-N 439.527 5.690 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2ccncc2)cc1 170018780 UYESCCRNHLFQKT-JOCHJYFZSA-N 432.907 5.389 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2C2CCCCC2)cc1 170031784 ZDFIXZVBDUXXFW-HSZRJFAPSA-N 435.520 5.005 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1cccnc1)c1ccc2ccccc2c1 170183251 ISSLSFNRNFZRHG-QFIPXVFZSA-N 426.497 5.075 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccncc2)cc1C 170203912 WZVFMLFNQMDMQF-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccccc1)c1c[nH]c2ccccc12 170222941 WRMBNQBBSCHFNG-JOCHJYFZSA-N 430.410 5.229 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccccc1)c1c[nH]c2ccccc12 170226720 WTFVBNFIQXILAH-JOCHJYFZSA-N 428.875 5.604 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1F 170248130 HIKUBCNUWYUURV-QFIPXVFZSA-N 449.453 5.373 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)c(Cl)c2)[C@H]1c1ccccc1F 170252859 BDVAQXAKQKFCQW-QGZVFWFLSA-N 438.282 5.129 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccco2)cc1C 170281768 DPDBFYYUIZVIFG-JOCHJYFZSA-N 435.451 5.299 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccco2)cc1 170290884 MMLKLOFLAUMFAZ-NRFANRHFSA-N 439.414 5.128 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2c2cc(F)ccc2F)o1 170306135 PSLGCWUOYOHNSX-QHCPKHFHSA-N 449.453 5.528 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1Cc1ccncc1 170317174 ZXPGGRPLQDWZQG-JOCHJYFZSA-N 444.556 5.109 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]1c1ccc(C(C)(C)C)cc1 170468605 NXZBSPPXTADHNQ-OAQYLSRUSA-N 439.983 6.461 30 10 IKEE Cc1cccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(CCc3ccccc3)C2=O)c1 252460283 DBYDZGCAIPUUFW-HSZRJFAPSA-N 443.572 5.198 30 10 IKEE COc1ccccc1N=CC1=C(c2cccs2)Oc2ccccc2[C@H]1c1ccccc1C 252596055 CGGREFCLEAARCV-HHHXNRCGSA-N 437.564 7.403 30 10 IKEE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C(=N[N+](=O)[O-])CCC[C@]4(C)[C@@H]3CC[C@@]12C 254555258 ZJFYDPFCQFKJHC-GGGPQTCJSA-N 430.677 7.740 30 10 IKEE CC1(C)Cc2c(sc3nc(C4CCCCC4)n(N=Cc4ccc(F)cc4)c(=O)c23)CO1 254623383 KBWNRIWEIUOYRP-UHFFFAOYSA-N 439.556 5.378 30 10 IKEE Clc1cccc(-c2nc3cc(N=Cc4ccc(OCc5ccccc5)cc4)ccc3o2)c1 254702253 UIIULSYEYPJGOT-UHFFFAOYSA-N 438.914 7.478 30 10 IKEE Cc1ccc(N=C2S/C(=C3/Sc4ccccc4N3C)C(=O)N2c2ccc(C)cc2)cc1 254750838 FPATUPQCSJXTIT-CJKMRZRNSA-N 443.597 6.482 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(F)ccc1Br)NCCC 407092854 SUTZFXLIPWVUQA-RTBURBONSA-N 443.401 5.358 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccs2)cc1Cl 526489643 ALIJHTYTOFJPHQ-NRFANRHFSA-N 436.920 5.729 30 10 IKEE CCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccc(Br)cc1 526812010 XERNZUOHCKYEJQ-NHDPSOOVSA-N 435.778 5.431 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccc(OC)cc1OC 526816562 JMHCXJGOMCCVGG-QRVIBDJDSA-N 430.961 5.076 30 10 IKEE CC(C)c1ccc(/C=C/C(=O)[C@H]2C[C@@H](NC(=O)Nc3ccc(C(C)(C)C)cc3)CCN2)cc1 586091375 QWNQCDOYCOTQDX-CZQIOKEKSA-N 447.623 5.632 30 10 IKEE N#CCCCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1cccc(Cl)c1 586223506 ONRBDQFHHQNYAT-UHFFFAOYSA-N 426.925 5.631 30 10 IKEE C=CCCN(c1cccc(OC(F)(F)F)c1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586251146 KMVLXPUFFDIEBN-UHFFFAOYSA-N 427.488 5.654 30 10 IKEE N#Cc1cccc(C=NNc2nc(-c3ccccc3)c3cc(Br)ccc3n2)c1 606443823 KQBZCRAQTOSHRH-UHFFFAOYSA-N 428.293 5.377 30 10 IKEE CC[C@](C#N)(Cc1ccccc1)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 698444783 NNIXHMOCHUBJAW-JOCHJYFZSA-N 429.358 6.106 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCOc2ccccc21 698455002 ANBULMWBRYRUAD-NRFANRHFSA-N 429.314 5.392 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H](CNC(=O)OC(C)(C)C)C(C)C 698483559 CJCMZBORCWIHQN-PKOBYXMFSA-N 447.576 5.126 30 10 IKEE CCCN1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Br)c2)CC1 698495181 BRFJPIPOYSWOMB-OAQYLSRUSA-N 436.394 5.349 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@H](C#N)c1cc(Br)ccc1F 698825345 HRFKYXAPBHTSRN-SFHVURJKSA-N 425.342 6.113 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Cl)c1Br)NC 719520979 RGGMOCINEWXUDF-HOTGVXAUSA-N 431.802 5.093 30 10 IKEE C=CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H](C)c1cccs1 1539963534 WRWRDZVPUZGTGG-INIZCTEOSA-N 434.569 5.209 30 10 IKEE C=CCC[C@H](NC(=O)CCc1nc(O)c2c3c(sc2n1)C[C@H](C)CC3)c1ccccc1 1636820105 BENXECJWRNLHMH-APWZRJJASA-N 435.593 5.278 30 10 IKEE CSc1ccc(Cl)cc1CC(=O)Nc1cccc(C(=O)Nc2ccc(C#N)cc2)c1 1859119811 WSQUPQSXEDJBHI-UHFFFAOYSA-N 435.936 5.367 30 10 IKEE N#Cc1c(NC(=O)c2ccc3c(c2)CCC(=O)N3)oc(-c2ccccc2)c1-c1ccccc1 1859760865 MBYAWSRYCRCXID-UHFFFAOYSA-N 433.467 5.622 30 10 IKEE CCCCCCCCCNC(=O)CCc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O 1860281316 COIACWHOQDDKOO-UHFFFAOYSA-N 439.596 6.572 30 10 IKEE N#Cc1cccc(C(=O)Nc2ccc(Cl)c(NC(=O)c3ccc(Br)o3)c2)c1 1860461752 PPPOALYGNIFIDY-UHFFFAOYSA-N 444.672 5.072 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)CCc1ccc(C)c(C)c1)[C@H](C)CC 1861094648 DFSUTNQPSXAUFP-RLWLMLJZSA-N 430.677 6.024 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)Cc1ccccc1F)c1ccccc1 1861744355 VHDXUTQBJJDXLA-VWLOTQADSA-N 426.576 5.483 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@@H]1c1ccc(OCCC)cc1 1862396546 FYNICGOAQLZQQR-DEOSSOPVSA-N 433.548 5.582 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@@H]1c1ccccc1F)c1cccc(Cl)c1 1862444034 WMCAGQZTPVVEIN-JOCHJYFZSA-N 441.930 6.170 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OCCC)cc1 1862479489 IJZRLBLTAAAWOQ-XMMPIXPASA-N 435.564 5.942 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2cccc(O)c2)ccc1F 1862507803 UOGOGLOJMSRGRH-MWTRTKDXSA-N 431.463 5.179 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(C)cc2)cc1 1862514923 NIJSNROIZUGNES-VWLOTQADSA-N 447.575 6.085 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C2CCCC2)cc1 1862565808 GXCQSYRLMNYPGA-DEOSSOPVSA-N 448.563 5.359 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(Cl)cc1 1862590858 AEFVKKZRWXZKGF-IVZQSRNASA-N 433.891 5.385 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccccc2)c1 1862648998 OLWGLQDUYUGMKG-AREMUKBSSA-N 433.507 5.927 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C(C)C)cc3)[C@@H]2c2ccccc2C)c1 1862663129 PRDBDJXFSKUBLQ-SANMLTNESA-N 439.555 6.205 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(Cl)cc1Cl 1862668193 SLGZBCGYFSXNBX-OAQYLSRUSA-N 446.374 6.351 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(Cl)cc2Cl)cc1 1862690053 GQJOHOPLWFBVQI-HXUWFJFHSA-N 446.330 5.523 30 10 IKEE Cc1c(Cl)cccc1NC1=C(c2ccccc2F)C(=O)N(c2ccc(C#N)cc2)C1=O 1862925875 KDHIYLJHWAFSOD-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE CCCOc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3cccc(C)c3)C2=O)cc1 1862971805 BNZUFNOWRLMNIJ-UHFFFAOYSA-N 437.499 5.052 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccccc2F)=C(c2ccc(F)cc2)C1=O 1863137551 FVDKMGYKRCJHRI-UHFFFAOYSA-N 440.534 6.298 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccccc2)=C(c2ccc(OCC)cc2)C1=O 1863569266 NHEHGCRRACYAKP-UHFFFAOYSA-N 434.580 5.316 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccccc2OC)=C(c2ccc(C)cc2)C1=O 1863621384 NDNNOIRRNBJSCB-UHFFFAOYSA-N 434.580 5.234 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3ccccc3[C@H]2c2cccc(OC)c2)nc(C)n1 1869290700 DMXIIHZCJAZILS-HHHXNRCGSA-N 426.564 5.124 30 10 IKEE Cc1ccc(OCC(=O)Nc2c(C#N)nnn2-c2ccc(C(C)(C)C)cc2)c(C(C)(C)C)c1 1870145203 SYNBUHURBQVIII-UHFFFAOYSA-N 445.567 5.060 30 10 IKEE CCCCCCCCn1cc(OCC)c(=O)cc1CNc1ccc(Cl)c([N+](=O)[O-])c1 1870784026 AIDAAXBFNXMYJE-UHFFFAOYSA-N 435.952 5.781 30 10 IKEE CCCCCCCCCCn1cc(OCC)c(=O)cc1CNc1cc(OC)cc(OC)c1 1870784742 BYFGAYCRFUVEGK-UHFFFAOYSA-N 444.616 6.017 30 10 IKEE C=CCn1cc(OCc2c(F)cccc2Cl)c(=O)cc1CNc1cc(Cl)ccc1C 1871089705 YGDBHNLFEXDYRB-UHFFFAOYSA-N 447.337 5.980 30 10 IKEE CCc1ccc([C@H](C)N2COc3c(cc4c(c3C)O/C(=C\c3cccc(F)c3)C4=O)C2)cc1 1871360175 SZXOETKYTMRLIX-GQMTYKABSA-N 443.518 6.226 30 10 IKEE CC(=O)Nc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(Cl)cc2)C3=O)c1 1871364958 JYHBCQRVULPMJB-UUYOSTAYSA-N 447.874 5.442 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OC(=O)c4cccc(OCC(C)C)c4)ccc3C2=O)c1 1871379873 ZWFDBGCARHMAMC-MXAYSNPKSA-N 444.483 5.565 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O)c1cc(Cl)ccc1Cl 1871380831 FBRPOQYFYARAHP-UKWGHVSLSA-N 445.685 6.482 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)/C=C/c4ccccc4)c3C)C2=O)c(OC)c1 1871385356 OPDWMTUMAWLOQN-DHLMYGRGSA-N 442.467 5.247 30 10 IKEE Cc1ccccc1OCCCCOc1cc(C)c2c(c1)O/C(=C\c1ccccc1Cl)C2=O 1871404328 IHNOCNUBQVEGKN-XYGWBWBKSA-N 448.946 6.811 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)c(C)c1 1871410858 IYEWBSWFLUJIOX-WGGCHOPXSA-N 439.511 5.882 30 10 IKEE COc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1cccc(F)c1)C2=O 1871410896 CGCDUYLNSWGOMX-ZGWJWYQGSA-N 447.462 5.165 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1ccc2c(c1C)O/C(=C\c1cccc(C)c1)C2=O 1871429074 HIMQLZOWLHYWSX-YMLINEMLSA-N 436.548 6.201 30 10 IKEE Cc1cc(OCc2ccccc2C#N)cc2c1C(=O)/C(=C/c1ccccc1Br)O2 1871436888 ALYLHPAYXIADHU-JJFYIABZSA-N 446.300 5.824 30 10 IKEE COc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1OC 1872760014 FKRIXVQBMWBESC-HXUWFJFHSA-N 432.545 5.125 30 10 IKEE N#C[C@@H](C(=O)c1cc([N+](=O)[O-])ccc1Cl)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872761903 YIWIGOWVNDLAFY-SFHVURJKSA-N 437.908 5.741 30 10 IKEE COc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3cccc4ccccc34)cs2)cc1 1872775475 RFMUAFQYELOYKW-HSZRJFAPSA-N 442.540 6.007 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@H](C#N)C(=O)[C@@H](C)Oc2ccc(Cl)cc2)n1 1872788316 GVDXSXXACCKUDY-SJKOYZFVSA-N 447.343 5.769 30 10 IKEE Cc1csc([C@@H](C#N)C(=O)c2ccc(N3COc4ccc5ccccc5c4C3)cc2)n1 1872789622 OQZGYDSWRMYJNY-NRFANRHFSA-N 425.513 5.451 30 10 IKEE CCCCCCCCNC1=C(c2ccc(F)c(C)c2)C(=O)N([C@@H](CC)CCCCC)C1=O 1873153336 WUOGFONELNKPEB-QFIPXVFZSA-N 444.635 6.523 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2OCC(C)C)=C(c2c(Cl)cccc2Cl)C1=O 1873289378 KFHVWWYVJCNGGE-UHFFFAOYSA-N 445.346 5.406 30 10 IKEE CCCCCCCCN=c1nc2c(cnn2-c2ccccc2)c(Nc2ccccc2F)[nH]1 1873478019 HXEWSQJTYXPLOZ-UHFFFAOYSA-N 432.547 5.893 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(N(CC)CC)cc1C)n2CC(C)C 1873613053 VDIIWWLAASSMDX-UHFFFAOYSA-N 434.588 5.092 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C(C)(C)C)c2)cc2c(NCc3ccccn3)ncnc21 1873633620 WFIQIFCONLSSTP-UHFFFAOYSA-N 440.551 5.174 30 10 IKEE N#Cc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(Cc3ccccc3)C23CCCC3)cc1 1873864561 PCHYTSBVLJOKLC-VWLOTQADSA-N 435.527 5.249 30 10 IKEE CCCCCCCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 1873891570 GWUBSORSACDQKB-VWLOTQADSA-N 438.656 6.348 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccccc3OCC(C)C)c(=O)oc2c1C 1873956128 FBJCMVLDFLOGMA-UHFFFAOYSA-N 449.547 5.581 30 10 IKEE CCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccc(C(C)C)cc1 1874212842 HURKZGMACIRNFQ-PCLIKHOPSA-N 443.016 6.061 30 10 IKEE CSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1cccc(Br)c1 1874253727 HEPAJGHYODUNOS-SSDVNMTOSA-N 445.386 5.149 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1cccc(OCC)c1 1874254233 XHZQBAUUBSYOFZ-XIEYBQDHSA-N 436.581 5.157 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2/N=C/c2cccc(C)c2)cc1 1874356140 UJHSTVORFIBAPM-OGLMXYFKSA-N 440.616 6.277 30 10 IKEE CCCSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(N(CC)CC)cc1 1874367541 HKJDPFOKOOOJCN-LFVJCYFKSA-N 428.005 5.829 30 10 IKEE CC(C)(C)c1ccc(/C=N/n2c(SCCCO)nnc2-c2ccccc2Cl)cc1 1874368231 PNGKNMFBOKMHIL-BUVRLJJBSA-N 428.989 5.253 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C/c2cccc(C)c2)cc1 1874397006 WGWRPKZANCBMKX-OVVQPSECSA-N 426.589 5.855 30 10 IKEE Cc1ccccc1/C=N/n1c(CCc2ccccc2)nnc1SCc1ccccc1F 1874402861 MQMZOQGWQUNLFI-WPWMEQJKSA-N 430.552 5.685 30 10 IKEE Cn1cccc1/C=N/n1c(CCc2ccccc2)nnc1SCc1ccc(Cl)cc1 1874404500 AXKICEPTTOTVHN-PCLIKHOPSA-N 435.984 5.230 30 10 IKEE CCc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2F)cc1 1874416803 IZJNONQNRWPNHX-WPWMEQJKSA-N 430.552 5.745 30 10 IKEE Cc1ccc(CSc2nnc([C@H]3CCCO3)n2/N=C/c2ccc(C(F)(F)F)cc2)cc1 1874441808 JPFHIYMBECYTSK-KXQYEYADSA-N 446.498 5.631 30 10 IKEE C(=N/n1c(SCCc2ccccc2)nnc1[C@@H]1CCCO1)\c1cccc2ccccc12 1874449253 XUSUMKBSYBBVIZ-HXTHCWADSA-N 428.561 5.500 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C(F)(F)F)c(F)c1 1874462261 PDGKRHWJEJFOSO-LUOAPIJWSA-N 448.420 5.903 30 10 IKEE Cc1ccccc1NC(=O)CSc1nnc(C2CCC2)n1/N=C/c1ccc(C(C)C)cc1 1874494108 FOWNETNMCVFBKC-CVKSISIWSA-N 447.608 5.590 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1cc(Cl)ccc1O 1874525722 CEFTZORXJBBSGX-LSFURLLWSA-N 441.771 5.681 30 10 IKEE COc1cccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1OCc1cccc2ccccc12 1874571596 WCABWKDVKOOZDG-FOCLMDBBSA-N 439.467 6.232 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2c(OCC(=O)OCC(C)C)ccc3ccccc23)c1C 1874586767 DDRKZALPDIEERT-OUKQBFOZSA-N 444.571 6.548 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccccc2C)cc1Cl 1874591056 PWXNZORMAYYMDX-JXMROGBWSA-N 427.327 6.786 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccc(F)cc3)c2)cc1Cl 1874599899 JXOLWWCBCRLTHD-VZUCSPMQSA-N 439.870 5.401 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3F)cc2)cc1 1874606175 ALIACNTWCXWJHI-QGOAFFKASA-N 431.507 6.082 30 10 IKEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2ccc(OCC)cc2)cc1Br 1874613991 XYOJSGXBRKUQGE-VZUCSPMQSA-N 447.325 5.076 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)cc1 1874616904 ZLNCFSAUHZOKNM-CXUHLZMHSA-N 429.516 5.697 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OCC(=O)Nc2nccs2)c(Cl)c1 1874619531 FXJKLMYECIAYLM-GQCTYLIASA-N 442.924 5.027 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OCc1ccc(Cl)cc1 1874626364 ASPGCXFQYOOXQS-KPKJPENVSA-N 436.935 6.449 30 10 IKEE COC(=O)COc1c(Cl)cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1OC 1874635323 LTTSVSNNXDTDAI-CSKARUKUSA-N 430.928 5.402 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3cc(C)ccc3C)c(Cl)c2)cc1Cl 1874636421 ZTBWRYGPGJTASS-RMKNXTFCSA-N 441.354 7.094 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1OC(=O)c1cncc(C)c1 1874712606 HZOATKRISFNNTH-RMKNXTFCSA-N 431.488 5.139 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(OC)cc2)CSc2nnc(CC(C)C)n21 1874888166 WKXQBKWRDAPMQU-OAQYLSRUSA-N 444.645 5.547 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(F)c3)c([N+](=O)[O-])c2)cc1C 1875108602 WUKVVVPTYIYXQW-RMKNXTFCSA-N 435.407 5.166 30 10 IKEE COc1ccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)cc3)cc2)cc1 1875112646 NAUJFWTUOSQYMC-CNHKJKLMSA-N 446.499 5.365 30 10 IKEE O=C(COc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl 1875116827 UYRAVRWXEIRCTB-WUXMJOGZSA-N 437.835 5.129 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3F)c([N+](=O)[O-])c2)cc1 1875130407 SLFXSWGYOLEMRW-NTUHNPAUSA-N 435.407 5.248 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)Cc1ccccc1[N+](=O)[O-] 1875136464 AFYOHVRSCLXTMI-GXDHUFHOSA-N 445.471 5.346 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3sccc3C)c([N+](=O)[O-])c2)cc1F 1875152739 IMFSLEQMICNGAU-ZZXKWVIFSA-N 441.436 5.228 30 10 IKEE O=C(COc1ccccc1)Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1Cl 1875154349 ZZJOFEKUILRLMQ-FYWRMAATSA-N 442.898 6.374 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)CC3CCCCC3)c([N+](=O)[O-])c2)cc1 1875155363 FALNXVZFVJRJAS-RIYZIHGNSA-N 435.520 6.490 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)Cc1ccccc1 1875159961 SYCQTIVIAZMEJF-MDWZMJQESA-N 438.882 5.922 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1[N+](=O)[O-] 1875165282 GMHWIERXFZATOH-MHWRWJLKSA-N 445.471 6.379 30 10 IKEE Cc1ccsc1C(=O)Oc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1[N+](=O)[O-] 1875169449 REWVBCCYCIZPBV-SOFGYWHQSA-N 449.528 6.314 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1 1875169776 RXEJVKODZIQHSY-JLHYYAGUSA-N 431.444 5.336 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)c(C)c1 1875182852 XZILEEPYQKBMJZ-IZZDOVSWSA-N 439.338 7.034 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)CC(C)(C)C 1875185559 YSPCHRUVECJTEO-SDNWHVSQSA-N 436.592 6.929 30 10 IKEE CC1(C)C[C@H]([C@@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C1 1931256387 LKCPOBBVYZEPPN-WOJBJXKFSA-N 443.588 5.351 30 10 IKEE CC(C)[C@H](NC(=O)OC(C)(C)C)[C@](C)(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1936065309 AYFVCMFAFCWMGP-JTSKRJEESA-N 437.606 5.317 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)C1 1944696676 BNUSNWZWAVYKGH-VQIMIIECSA-N 433.524 5.106 30 10 IKEE C#CC(CC)(CC)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC 1985773561 JQJVHNXMSHJVNU-DFBJGRDBSA-N 446.591 5.248 30 10 IKEE O=C(C=Cc1ccccc1OC(=O)c1cccnc1N1CCCC1)c1cc2ccccc2o1 2042447221 IMJOPYVSPNSOKG-UHFFFAOYSA-N 438.483 5.543 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](O)c2ccc(Br)c(Cl)c2F)C1 2063050329 LKAAXBKAFYMTLE-HNNXBMFYSA-N 434.733 5.136 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Cl)cc1Br 2077804775 DMBLTIGCSGUMHG-DLBZAZTESA-N 431.802 5.613 30 10 IKEE CCCOc1ccc([C@@H](CC)n2nc(C(F)F)c(C#N)c2I)cc1 2080079136 CVKYNODEOOSSCT-CQSZACIVSA-N 445.251 5.085 30 10 IKEE COc1ccc([C@@H](C2CCC2)n2nc(C3CCC3)c(C=NO)c2Br)cc1F 2080107219 LFUKIPLNKXUFGJ-LJQANCHMSA-N 436.325 5.258 30 10 IKEE Cc1cccc(-c2c(C(F)(F)F)nn(C(F)(F)F)c2I)c1F 2080748566 ZNLOVUZRVQOWRA-UHFFFAOYSA-N 438.084 5.097 30 10 IKEE Cc1nn(C(F)(F)F)c(I)c1-c1cc(F)cc(C(F)(F)F)c1 2080856418 YMYRQBQJZGYHIC-UHFFFAOYSA-N 438.084 5.097 30 10 IKEE C=CCN(C[C@H](NCCC)c1cc(Cl)cc(Br)c1)C(=O)OC(C)(C)C 2081562646 ODFIWINYMOWNAB-KRWDZBQOSA-N 431.802 5.566 30 10 IKEE C=CCCCCCC[C@H](NCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2085854612 QVVQABBTWUKNJC-IGKIAQTJSA-N 443.676 5.661 30 10 IKEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(Br)ccc(Cl)c1F 2098958912 LBTHRFQCEMJITI-YOEHRIQHSA-N 447.776 5.199 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCCC[C@H]1C(F)(F)F 2144654897 QGRFSFMJHKGYSW-QAPCUYQASA-N 447.295 6.205 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@@]2(C#N)Nc2ccc(Br)cc2)C1 2156252168 UBSSXGYEZLTWBT-SFTDATJTSA-N 434.378 5.325 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@@H](Nc3ccc(C#N)cc3Br)C[C@H]21 2166974554 DZYSJWNDRFFPOK-GPMSIDNRSA-N 434.378 5.301 30 10 IKEE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@H](CNc2ccc(Br)cc2C#N)CC1 2178646785 XSKJHALHKFEVKL-OYOVHJISSA-N 440.357 5.156 30 10 IKEE C#CC[C@@H](C[C@H](NCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1)C1CC1 2196852350 AOSFBILPMLJYPS-JXFKEZNVSA-N 435.406 5.886 30 10 IKEE C#C[C@@H](NC(=O)c1ccc(Br)cc1NC(=O)OC(C)(C)C)C1CCCCC1 2203789330 HWHWKRHLUKJKIF-QGZVFWFLSA-N 435.362 5.108 30 10 IKEE O[C@H](C#Cc1ccccc1Br)c1cc(Br)ccc1Br 2227487064 YVTYYXRQSGLPMJ-OAHLLOKOSA-N 444.948 5.059 30 10 IKEE C=C(Cl)C[C@@H](NCCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2229115926 IQDDUZGUZJMXIH-MSOLQXFVSA-N 445.829 5.396 30 10 IKEE C#CCCC[C@H](NCCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237422596 YCTFJXZIPZSFGE-PMACEKPBSA-N 437.422 5.057 30 10 IKEE C=CCCC1([C@H](N)c2ccc(Cl)cc2Br)CN(C(=O)OC(C)(C)C)C1 2255004581 VBJIUIVWCOMHGD-MRXNPFEDSA-N 429.786 5.306 30 10 IKEE C[C@@H](N(Cc1ccccc1)C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F)C(C)(C)C 2266975580 HXABXGXZGDQINE-GOSISDBHSA-N 439.380 5.202 30 10 IKEE CCCC#C[C@H](OCCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2276045475 XCWFQEMBBMISDJ-MHZLTWQESA-N 443.587 6.055 30 10 IKEE C#CCCC[C@@H](OCCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2276941885 PAOKTNAUYALHJT-HHHXNRCGSA-N 443.587 6.055 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)c(OC)c1 2281462246 BOEILPRWLBKXCF-PKOBYXMFSA-N 441.410 5.358 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCCCN2c2c(Br)cccc2C#N)CC1 2285168055 AQTIIGVPMWWYQA-UHFFFAOYSA-N 434.378 5.081 30 10 IKEE C=CCCCCCCCSc1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2287182173 MXAGRJWODUXXLQ-UHFFFAOYSA-N 440.256 5.762 30 10 IKEE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)C(=O)CC#CC1CCCC1 2289847393 HTSKATZOAUYKPF-LJQANCHMSA-N 434.374 5.038 30 10 IKEE C=CCSC1=NC(=Cc2cc(Br)ccc2OCc2ccccc2)C(=O)S1 2295502385 XEBUKTNTMJPBNP-UHFFFAOYSA-N 446.391 5.918 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H](CC)CCNC(=O)OC(C)(C)C 2296302897 PDJVCBNOCCLANL-AZUAARDMSA-N 437.422 5.110 30 10 IKEE CC[C@@]1(C)C[C@](CCN=Cc2ccc(OC)c(OC)c2)(c2ccccc2OC)CCO1 2297709305 HXQQXLYXXSIJSC-IZZNHLLZSA-N 425.569 5.439 30 10 IKEE CCCCCCCCCCCCCCCCNC(=S)NC(=O)C=Cc1ccc(F)cc1 2313607186 IWBGMJFEQDTULX-UHFFFAOYSA-N 448.692 7.311 30 10 IKEE Cc1ccccc1CSc1nncn1N=Cc1ccc(OCc2ccccc2Cl)cc1 2321813346 PBBAVWRJBNURFC-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(F)cc1)O3)CN(Cc1ccccc1Cl)CO2 2321958378 FNPWCXUHJPSSJC-UHFFFAOYSA-N 435.882 5.756 30 10 IKEE CCN(CC)C(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc(-c2ccccc2)cc1 2322305657 DNTWLQYNVKQOIF-UHFFFAOYSA-N 447.962 6.150 30 10 IKEE COc1cc(Br)cc(C=CC(=O)c2ccccc2)c1OCc1ccccc1F 2322547027 NNVOYJKZFJKWJH-UHFFFAOYSA-N 441.296 6.072 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccccc1OCc1ccc(Cl)cc1Cl 2322638312 NLMBTZSZHWHTAA-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cc(Cl)ccc1OCc1ccc(C)cc1 2322775204 IWXJOQBDJUEBQL-UHFFFAOYSA-N 448.990 7.430 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccccc2Cl)c(C)c1C 2322825099 WIKVJZAYPQBXJB-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccccc1OCc1cc(C)ccc1C 2322828288 MUXPASZFVPACGI-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1OCC(=O)Nc1cccc(C)c1C 2323126635 YICFYBQPPZHXCH-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE O=C(C=Cc1ccc(Cl)cc1)Oc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O 2323317888 LEXNJVKPWCRYNG-UHFFFAOYSA-N 428.871 6.131 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(OC(=O)c3ccc(C(F)(F)F)cc3)c2C)C1=O 2323352711 GXCTUFRJAWSPHD-UHFFFAOYSA-N 444.430 6.219 30 10 IKEE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2323629851 RBJLFTJFLVEWCA-UHFFFAOYSA-N 448.902 6.210 30 10 IKEE CCOc1ccc(C=NNc2nc(-c3ccccc3OC)cs2)cc1Br 2323864832 NNUYWOMPMCUMNN-UHFFFAOYSA-N 432.343 5.426 30 10 IKEE C=CCOc1c(Br)cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1OCC 2324073663 NSDJGFZWDQZOKC-UHFFFAOYSA-N 443.381 6.606 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)c(C)c1C 2324293625 JCHAOIGDYUFTCD-NRFANRHFSA-N 443.543 5.464 30 10 IKEE COc1cccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4cc(C)ccc4C)ccc3C2=O)c1 2324455612 VPRUROMIUKXJTP-SFHVURJKSA-N 443.499 5.334 30 10 IKEE CCCOc1ccc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1Br 2324598614 TUKLQXSHPWGKRX-UHFFFAOYSA-N 444.152 6.449 30 10 IKEE Cc1cc(OCCOc2cccc3ccccc23)cc2c1C(=O)C(=Cc1ccc(F)cc1)O2 2324693878 RWJXYYGWAOHVMX-UHFFFAOYSA-N 440.470 6.361 30 10 IKEE COc1ccccc1C=C1Oc2cc(O[C@@H](C)C(=O)Nc3c(C)cccc3C)ccc2C1=O 2325141775 RDZIIIQRLANBFF-SFHVURJKSA-N 443.499 5.334 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 2325704244 CNGPWXQKAOTGOA-UHFFFAOYSA-N 431.444 5.281 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccc(C)cc3)ccc2C1=O 2325715027 QIJGDOAIPMQJRO-UHFFFAOYSA-N 429.472 5.027 30 10 IKEE COc1ccccc1C(=O)C=Cc1cccc(OC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1 2325724218 WXKQPXNEHZUBJU-QGZVFWFLSA-N 436.891 5.618 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc2c(c1)OC(=Cc1cccc(Cl)c1)C2=O 2325737293 YALQZNBZWLYRBR-UHFFFAOYSA-N 433.891 5.536 30 10 IKEE C(=Nn1cnnc1SCc1ccccc1)c1ccc(OCCCc2ccccc2)cc1 2326204421 VAMWEXADISJJQZ-UHFFFAOYSA-N 428.561 5.464 30 10 IKEE FC(F)(F)c1ccccc1C=Nn1cnnc1SCc1ccc(Br)cc1 2326605969 RJYZDDPXPXVOBN-UHFFFAOYSA-N 441.276 5.234 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1c(C)n(C)c2ccccc12 2326683367 HLRRHAYIEGQGRW-UHFFFAOYSA-N 442.592 5.467 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1cc(Cl)ccc1O 2327579523 JUPMFYPYIPMLTH-UHFFFAOYSA-N 437.352 5.254 30 10 IKEE Clc1ccc(CCc2nnc(SCCc3ccccc3)n2N=Cc2ccccc2)cc1 2328065661 ZKVDKFSIIOXVMH-UHFFFAOYSA-N 447.007 5.934 30 10 IKEE Cc1cccc(CSc2nnc(COc3c(C)cccc3C)n2N=Cc2ccncc2)c1 2328552227 HUOGREWCZPGIHQ-UHFFFAOYSA-N 443.576 5.352 30 10 IKEE CN(C)c1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2)cc1 2329837408 AYJKSOOYSHOKIR-UHFFFAOYSA-N 445.567 5.249 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2ccc(N(C)C)cc2)cc1 2329990122 ALLGWEKVHOREDC-UHFFFAOYSA-N 441.604 5.418 30 10 IKEE O=[N+]([O-])c1ccccc1C=Nn1c(Cc2cccs2)nnc1SCCc1ccccc1 2330396013 WYXRVZGJELRUBG-UHFFFAOYSA-N 449.561 5.056 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1C 2330880194 RAOCIKBEZZOFFC-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1Br 2330929621 SUVFZUQANWCGBO-UHFFFAOYSA-N 449.772 6.874 30 10 IKEE Cc1cccc(C)c1OCC(=O)Oc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2331018381 UTUKTRNFJCMPTK-UHFFFAOYSA-N 431.444 5.092 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)c1cnc(C)cn1 2331138110 QJBZUUNLDRTBAR-UHFFFAOYSA-N 443.286 5.216 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2Cl)c1 2331142639 KSDYZIVDMSXOAL-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE COc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OC 2331236530 BWCQQVWKNJBKBB-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1N=Cc1ccc(CC)cc1 2331326251 PFOMKXCCHPZDCP-UHFFFAOYSA-N 449.624 5.413 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)CCOC 2331500024 PRBDCYHYJIDUOG-UHFFFAOYSA-N 430.928 5.700 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(SCc2ccccc2)nnc1C1CCC1 2331519848 XXBWICVBSSCYMQ-UHFFFAOYSA-N 428.561 5.882 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2Cl)c(Cl)c1)c1ccc(F)c(F)c1 2331557011 KOQBVZSDUJLLQF-UHFFFAOYSA-N 433.237 6.387 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccccc3Cl)cc2)cc1C(C)C 2331571439 KFSWYVUYFZRKBY-UHFFFAOYSA-N 448.946 6.896 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2ccccc2F)cc1 2331635405 ZRNHKTRQBIDAJL-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(Cl)cc1 2331657654 OKVRQJZRZFPPKX-UHFFFAOYSA-N 439.799 6.365 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1C 2331835348 RIUGPEBCSNZTPT-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccccc3)cc2)c2ccccc12 2331866066 VLNHFSUQVPKEPH-UHFFFAOYSA-N 438.479 5.729 30 10 IKEE CCCCCCC[C@@H](NCC)[C@H](O)c1sc(Cl)cc1I 2366653676 HDPFMFUOOQMKHN-OCCSQVGLSA-N 429.795 5.378 30 10 IKEE N#CC1(C#N)[C@H](c2ccccc2F)[C@H](C(=O)c2ccccc2)N2c3ccc(F)cc3C=C[C@@H]21 8809665 XWOXPOUXBUXFEU-UBFVSLLYSA-N 437.449 5.249 30 10 IKEE C=C(C)COc1cccc2c1N[C@H](c1ccc3c(c1)c1ccccc1n3CC)[C@@H]1CC=C[C@H]21 13642961 RXMVELVCNTVQSB-WMEWVQGBSA-N 434.583 7.596 30 10 IKEE Cc1ccc(C2=NN(c3ccc(/C=N/c4ccccc4F)cc3)[C@H](c3ccccc3)C2)cc1 15772832 WHPCSHNFGSWYSJ-CLCCEFQUSA-N 433.530 7.240 30 10 IKEE CCOc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)c1 21229577 KZAGTFYBDPEUAG-CLYVBNDRSA-N 444.962 6.718 30 10 IKEE COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2OC)C3)c1 21244328 OBJRFQJSGKKWBG-DNOBIOAJSA-N 426.516 5.683 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(C(F)(F)F)cc2)cc1 21248715 IWHPILPRKFYGAX-FXAWDEMLSA-N 443.465 5.499 30 10 IKEE C#C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@H]3CC[C@@]21C 27203037 AIIXYCDTEGICEE-KSYHRFAASA-N 439.603 5.204 30 10 IKEE N#Cc1ccc(C(=O)Nc2cccc(OCc3nnc(-c4ccc(Cl)cc4)o3)c2)c(F)c1 33307424 UOCKBPIFHXQMJQ-UHFFFAOYSA-N 448.841 5.232 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O)c1ccccc1Cl 35550335 LIUBCTWVXWZQST-JMIUGGIZSA-N 445.685 6.482 30 10 IKEE O=C(/C=C/c1ccco1)Nc1cccc(C(=O)/C=C/c2ccc(-c3cccc(Cl)c3)o2)c1 39850980 QHYAPSYBOZBWRN-JZAGDRGGSA-N 443.886 6.741 30 10 IKEE C=CCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2[C@@H]1c1ccc(OCC(C)C)c(OC)c1 39910843 KMLUSHNVDRWSBX-QHCPKHFHSA-N 447.531 5.184 30 10 IKEE C=CCc1ccccc1OCCCCn1c([C@H](C)NC(=O)C(CC)CC)nc2ccccc21 40189517 HLLFGHSSWXFMEF-NRFANRHFSA-N 447.623 6.237 30 10 IKEE C/C(=N/Nc1nc(SCc2ccccc2Cl)n[nH]1)c1ccc(Br)cc1 59020703 KTPCAISUCGTBSE-NHDPSOOVSA-N 436.766 5.349 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccc(C(C)(C)C)cc2)nnc1-c1ccc(Cl)cc1 59794939 QMEIUSXJJROVAV-UHFFFAOYSA-N 441.000 5.813 30 10 IKEE COc1cccc(C(=O)/N=C(/NCCc2c[nH]c3ccccc23)Nc2cccc(C)c2C)c1 66437794 SGIKILDACHZMNP-UHFFFAOYSA-N 440.547 5.234 30 10 IKEE biogenic COc1ccc(/C=C2/CN(Cc3ccccc3)C/C(=C\c3ccc(OC)cc3)C2=O)cc1 83263067 PUPGKKCPLWYJLH-DRPBVWSQSA-N 425.528 5.256 30 10 IKEE C=C(CC[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)C(C)C 96347830 XHFAXVFEJWTPSR-MNTDVDIASA-N 446.672 5.067 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(NC2CCCCCC2)c1N 101532131 WUMFLRHKJDOZJE-UHFFFAOYSA-N 445.740 8.087 30 10 IKEE CCCCCCCCCCCCn1c([C@@H](C)NC(=O)c2ccccc2)nc2ccccc21 102113716 AKFLZCFZOVZLAW-HSZRJFAPSA-N 433.640 7.448 30 10 IKEE CC1(C)[C@H]2CC[C@@]1(C)/C(=N\N=C1/NC(=O)/C(=C\c3cccc(Br)c3)S1)C2 105547033 XGBYPXJUPDRINW-ODFOFHQPSA-N 432.387 5.211 30 10 IKEE COc1c(Cl)cc(/C=N\Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1Cl 169941961 WRBCUPFWTDOOME-AFPJDJCSSA-N 435.336 5.530 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(N(C)C)cc2)cc1C 169953287 BUKMLZGHXFGAPY-DEOSSOPVSA-N 426.516 5.152 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2cccs2)cc1C 169984617 UMSXTTOUHREBJN-NRFANRHFSA-N 437.948 6.110 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC)c3)[C@H]2c2cccs2)cc1 169984934 YKEHJVXWFJVCHA-JOCHJYFZSA-N 449.528 5.328 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@H]2c2ccncc2)cc1 170021712 YHSLQZLJTJXGLV-QFIPXVFZSA-N 448.906 5.225 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2ccccc2F)cc1C 170070186 UFPSAAXOTKKQAF-XMMPIXPASA-N 443.474 5.160 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccccc2C)ccc1F 170087198 HUDMBPQMZKPPED-DEOSSOPVSA-N 444.506 5.291 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc(F)cc2)=C(O)C(=O)N1c1ccc(F)c(F)c1 170105475 ZSEVKUZULIOUIT-SFHVURJKSA-N 429.419 5.257 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1ccc(F)c(F)c1 170105486 ALDSLEPXSSOORF-GOSISDBHSA-N 445.874 5.771 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1CCCOC(C)C 170107670 XREIERITRDHFMP-FQEVSTJZSA-N 439.533 5.196 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2C2CCCC2)c1 170121358 RMGFMJJHUTZJEP-QHCPKHFHSA-N 435.520 5.003 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccc(C)c2)cc1C(C)C 170141666 PNPOEBPNCPCYLI-VWLOTQADSA-N 441.527 5.910 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(F)c4)[C@@H]3c3cccs3)oc12 170155553 CBJIBCFAZKUUMI-HXUWFJFHSA-N 449.459 5.425 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)c(OC)cc3C)[C@H]2c2ccccn2)cc1 170171096 DKIFXHSVGGXHOR-XMMPIXPASA-N 442.515 5.052 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2cccnc2)cc1C 170188690 RAKXDAFDHWLKFR-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccncc2)c1 170202673 IJEYAVBFADVCLW-VWLOTQADSA-N 434.495 5.635 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccccc2F)cc1 170249362 VTMKIVAXZFFZHB-VWLOTQADSA-N 441.502 5.796 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccco2)cc1 170296793 INLXWOAQCGJUFD-QHCPKHFHSA-N 449.478 5.027 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccc(C)o2)c1 170302134 OGPDKRPFPUNKGL-XMMPIXPASA-N 445.515 5.775 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2ccc(Cl)cc2)o1 170303268 XHJNIBMHRZJCLJ-JLCFBVMHSA-N 449.890 5.348 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)c(OC)c3)=C(O)C(=O)N2CCC)c1 170323486 HSWGCASHXWCYKR-NRFANRHFSA-N 443.927 5.126 30 10 IKEE Cn1cc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2cccc(Cl)c2)c2ccccc21 170396044 WSOVIKXYHMTGEI-QFIPXVFZSA-N 443.890 5.010 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2nc3cc(C)c(C)cc3s2)c1 170462114 HXCXTJOJQZQFNH-JOCHJYFZSA-N 434.561 5.737 30 10 IKEE CC(=O)Nc1cccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 170470532 VORKJUZYNHGJHW-DEOSSOPVSA-N 448.563 5.458 30 10 IKEE CCOc1ccc(/C=C2\SC(=Nc3ccc(OC)cc3)N(CC)C2=O)c(OCC)c1 252627400 RTLJLZDGBLFTKC-AWAAXKIWSA-N 426.538 5.117 30 10 IKEE CCN1/C(=C2\SC(=Nc3ccccc3)N(c3ccc(C)cc3)C2=O)Sc2ccccc21 254846148 KFFIOYGIJRAKFE-CJKMRZRNSA-N 443.597 6.564 30 10 IKEE C=CCOc1ccc(CNc2ccc(Br)c(I)c2)cc1 312800147 QMVOEHWTUCOKMF-UHFFFAOYSA-N 444.110 5.231 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1c(F)ccc(Br)c1F)NCCC 407403318 JTLRVISHGCSUSL-SJORKVTESA-N 447.364 5.107 30 10 IKEE CCCCCCCC[C@H](C=O)/C(=N/N)c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 514277931 FZXNDDWFSRYTOV-NUIVBQGBSA-N 428.960 5.788 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccc(C)c2)c1 526489986 YLIJPCURSSLHRA-SANMLTNESA-N 438.527 6.103 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 526603628 GIGRDMPBTVNBGY-RUZDIDTESA-N 438.527 5.922 30 10 IKEE CCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1ccc(O)c(Cl)c1 526805136 AZZPYJAFSXCUMW-QFEZKATASA-N 443.016 6.062 30 10 IKEE CCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccc(Cl)cc1Cl 526811911 VKCIBVMLQFTQLB-YVNNLAQVSA-N 425.772 5.975 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1c(OC)ccc2ccccc12 526819078 OBCWFXCOWYHEIC-YUMHPJSZSA-N 444.604 6.184 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1cn(C)c2ccccc12 526821426 SBPLMTSYTZMUHN-YSMPRRRNSA-N 425.561 5.660 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1cccc(Cl)c1 526824462 ZDVNTGQUTBXPNR-KSEXSDGBSA-N 439.799 6.365 30 10 IKEE Oc1cccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2cccc(F)c2)c1 526825859 MLDGBQRVDCFSJC-QQXSKIMKSA-N 432.524 5.083 30 10 IKEE Cc1cc(C)c([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)cc1C 698482220 NKGNZYAEOZNQOM-FQEVSTJZSA-N 429.358 6.381 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@H](C#N)c1ccc(Br)cc1Cl 698869000 YAVIBPOFQSMATB-INIZCTEOSA-N 441.778 6.166 30 10 IKEE C[C@@H]1[C@H]2CC[C@@H](C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1)N2C(=O)OC(C)(C)C 709311909 GUXLZQRVGQZJOW-RVGQZVGJSA-N 441.572 5.498 30 10 IKEE Cc1ccc(C=Nn2c(-c3ccc([N+](=O)[O-])cc3)csc2=NC2CCCCC2)s1 885864366 POXLGGBJROQUOE-UHFFFAOYSA-N 426.567 5.610 30 10 IKEE COc1ccccc1CSc1n[nH]c(NN=Cc2ccc(OCc3ccccc3)cc2)n1 1084189534 VNLSKTWUFIMERH-UHFFFAOYSA-N 445.548 5.131 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=NNc3nc(-c4ccc(C)cc4)cs3)cc2)cc1 1084314105 MIYBXERQRGPRDE-UHFFFAOYSA-N 427.529 6.092 30 10 IKEE CCCCCCCOc1ccc(C=NNc2nc(-c3ccc(Cl)cc3)cs2)cc1 1084371256 XTNREGVZNQNYQW-UHFFFAOYSA-N 428.001 7.259 30 10 IKEE CC(=NNc1nc(SCCC(=O)Nc2ccc(C)cc2)n[nH]1)c1ccc2ccccc2c1 1084593505 YNLVJKMDHUZLJW-UHFFFAOYSA-N 444.564 5.223 30 10 IKEE CC(/C=N/N=C1/S/C(=C/c2cccnc2)C(=O)N1Cc1ccco1)=C\c1ccccc1 1615304820 RENBDECNXOOQQQ-RYVSKRDMSA-N 428.517 5.236 30 10 IKEE Cc1c(N=Nc2cccc(C(F)(F)F)c2)c(O)n([C@@H](C)c2ccccc2)c(=O)c1C#N 1772741511 QTQDNODUJLKVEK-AWEZNQCLSA-N 426.398 5.778 30 10 IKEE CCCCCCn1c2ccccc2c2nnc(NN=Cc3ccc(OC)c(OC)c3)nc21 1772765240 ZMSUCGGWZWDAQG-UHFFFAOYSA-N 432.528 5.023 30 10 IKEE CCCCCCCCCOc1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1 1860098430 ADKAQHCMCKFLHN-UHFFFAOYSA-N 429.604 7.587 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)CCCOc1ccccc1Cl 1861703358 MQTSVRMUGGSMQQ-NRFANRHFSA-N 439.040 5.651 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc3ccccc23)cc1C 1862405473 QIQUKSPRMDOGDE-VWLOTQADSA-N 441.527 5.678 30 10 IKEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(O)cc2)cc1 1862474693 RXGACYLMLVXZGL-MZNJEOGPSA-N 443.499 5.049 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1Cl 1862477372 WNJMSODXIBXWGJ-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2c(F)cccc2Cl)c1 1862494722 ORYNGMDCJYITPV-JOCHJYFZSA-N 441.930 6.007 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(O)cc2)cc1 1862514532 JMCOLGQLYSDPCS-DEOSSOPVSA-N 449.547 5.482 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2cccc(F)c2)cc1 1862529502 HGMKVSJBRFOUKT-XMMPIXPASA-N 429.491 5.475 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)cc1 1862532775 GEMCEQDBAYRMND-XYURVEJXSA-N 447.575 5.805 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc(C(=O)O)cc2)cc1 1862532847 GWOUBIHEZNBVET-VZPUWSDOSA-N 447.531 5.104 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(OC)cc1 1862536008 OYPPNPVJGZWCKU-DHLKQENFSA-N 449.591 6.195 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(N(CC)CC)cc1 1862564707 GPJAWJBYVQIPJF-XMMPIXPASA-N 449.595 5.274 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCCCN(C)C)cc1 1862613257 GMGJXRQGROYNJA-XMMPIXPASA-N 448.607 5.213 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2cc(Cl)cc(Cl)c2)cc1 1862623882 RFZFQUWPEBWZSS-HXUWFJFHSA-N 444.358 6.032 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccccc1Cl 1862662503 XSMJJWRMWPZGAI-QFIPXVFZSA-N 441.955 5.468 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(F)c2)cc1 1862672991 JKTVRBTZTWSMSX-VOIUYBSRSA-N 447.481 5.867 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)cc1 1862703529 WBWFZTGNEJOGPQ-OUPRXKBMSA-N 433.548 5.415 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@H]1c1ccccc1)c1ccc2ccccc2c1 1862713361 NIDKUTGYIOOETG-SANMLTNESA-N 437.539 6.309 30 10 IKEE CC[C@H](C(=O)N[C@@H](C(=O)Nc1ccccc1C#N)c1ccccc1)c1ccc(Cl)cc1 1866950502 OUVKHDCPRSCQTO-JTHBVZDNSA-N 431.923 5.201 30 10 IKEE Cc1ccc([C@H](C#N)NC(=O)[C@H](NC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2)cc1 1867865578 AORUXGIVOSDTJD-LOSJGSFVSA-N 439.559 5.145 30 10 IKEE COCCc1nc(Nc2cccc(C#N)c2)cc(N2CCc3ccccc3[C@@H]2C(C)C)n1 1868246255 FBPXIQBHHOFRPS-SANMLTNESA-N 427.552 5.041 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](NC(=O)C[C@H](CC(C)C)c1ccc(F)cc1)c1ccccc1 1868945562 DLVAKUMFXAMSRT-JYFHCDHNSA-N 436.571 5.404 30 10 IKEE C=CCn1cc(OCCCCCCC)c(=O)cc1CN1CCC(Cc2ccccc2)CC1 1870411065 RNMGKBKGWIGTEX-UHFFFAOYSA-N 436.640 5.838 30 10 IKEE CCCCCCCCCCn1cc(OCc2ccc(C)cc2)c(=O)cc1CN(CC)CC 1870768972 XNVSKQTUJGPYEL-UHFFFAOYSA-N 440.672 6.718 30 10 IKEE C=CCn1cc(OCC)c(=O)cc1CNc1ccc(-c2nc3ccc(C)cc3s2)cc1 1870782949 BAPSPIHHKLMKQX-UHFFFAOYSA-N 431.561 5.630 30 10 IKEE CCCCCCCCCCn1cc(OCC)c(=O)cc1CNc1ccc(OCC)cc1 1870785617 UHYBYTOAUGCOIV-UHFFFAOYSA-N 428.617 6.399 30 10 IKEE C=CCOc1cn(Cc2ccc(C)cc2)c(CNc2ccc(Br)cc2)cc1=O 1870814142 YGXAXLJZBRFUMU-UHFFFAOYSA-N 439.353 5.144 30 10 IKEE CCCCCCCOc1cn(Cc2ccco2)c(CNc2ccc(OC)cc2C)cc1=O 1870837792 YJSDZFNFAQXJFX-UHFFFAOYSA-N 438.568 5.768 30 10 IKEE CCCCc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCC)cc1 1871251452 FVEOFSMNWOIJOF-UHFFFAOYSA-N 429.564 5.664 30 10 IKEE Cc1cc(OC(=O)CCc2ccc(Cl)cc2)cc2c1C(=O)/C(=C/C=C/c1ccccc1)O2 1871368904 UOSXZDZLAFEGLK-ABVWVXPPSA-N 444.914 6.359 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)Cc4ccc(OC)c(OC)c4)ccc3C2=O)cc1 1871374588 RZSQVQZBOQJJIP-MXAYSNPKSA-N 444.483 5.031 30 10 IKEE CCN(CCc1ccncc1)Cc1c(O)ccc2c1O/C(=C\c1ccc(Cl)cc1)C2=O 1871394045 ADLNJYWEMMSXQN-HAHDFKILSA-N 434.923 5.121 30 10 IKEE Cc1cc(O)c(CN2CCC[C@H](C)C2)c2c1C(=O)/C(=C/c1ccc(Cl)cc1Cl)O2 1871396335 AOPARNUOJKWUHR-CCSWUNFSSA-N 432.347 5.856 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCCOc4cccc5ccccc45)c3C)C2=O)cc1 1871415536 HKVLCXQHPUKEBR-IMRQLAEWSA-N 436.507 6.531 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2Cl)Oc2cc(OCCOc3ccccc3F)ccc21 1871417840 AWFLCIBNKZNLDH-JJFYIABZSA-N 445.273 6.207 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2C)C3=O)c(C)c1 1871418976 XLOHREOSTWHJMG-CFRMEGHHSA-N 427.500 5.554 30 10 IKEE CCCCCCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 1871422361 XOMCRBUZEXBXFR-JLPGSUDCSA-N 436.548 6.103 30 10 IKEE COc1ccc(CCOc2cc(C)c3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)cc1 1871448046 IKNAKOJOHCSZMU-XYGWBWBKSA-N 429.516 5.307 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1 1871453585 GZALJZZQNAFVGL-QFEZKATASA-N 427.500 5.752 30 10 IKEE CN(C)c1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4Cl)ccc3C2=O)cc1 1871455244 HNEQGYTXLQBQBD-QRVIBDJDSA-N 448.906 5.040 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)S(=O)(=O)CC 1872323957 IAZUWJXHENLYPV-QHCPKHFHSA-N 436.662 5.514 30 10 IKEE C=CCN([C@@H](CC(C)C)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(Cl)cc1 1872504011 GHFOYMURHWVGLP-QFIPXVFZSA-N 449.016 5.187 30 10 IKEE CCCCCCCCCOc1ccc(-c2nc3ccc(C(=O)NC)cc3[nH]2)cc1OCC 1872730914 UYHIVJDMUVJKBE-UHFFFAOYSA-N 437.584 6.118 30 10 IKEE N#C[C@H](C(=O)/C=C/c1ccc(F)cc1)c1nc(-c2cccc(Br)c2)cs1 1872763161 GKXUKMYGTKGTAT-RCMYXZNBSA-N 427.298 5.601 30 10 IKEE COc1ccccc1-c1csc([C@@H](C#N)C(=O)CCCOc2ccc3ccccc3c2)n1 1872766208 DJJYKHLDLZTYEP-QFIPXVFZSA-N 442.540 6.007 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@H](C#N)C(=O)c2ccc(N(C)C)cc2)n1 1872786953 XEUPIVTYWUUAJJ-QGZVFWFLSA-N 425.941 5.337 30 10 IKEE CCCCCCCCN1C(=O)C(NCC(C)C)=C(c2cccc(Cl)c2Cl)C1=O 1873128539 KPCPLDYLPPKTSN-UHFFFAOYSA-N 425.400 5.679 30 10 IKEE CSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1cc(Cl)ccc1O 1874201823 VVAJGEDCLSBFPO-WYMPLXKRSA-N 444.988 5.426 30 10 IKEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccccc1OCCC 1874283707 VOMMQIGKLRGTSL-KOEQRZSOSA-N 441.000 5.666 30 10 IKEE COc1cccc(CCc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccccc2)c1 1874309999 YSEFMABCINDKHH-WPWMEQJKSA-N 446.551 5.386 30 10 IKEE COc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2ccccc2)cc1 1874349268 CFWJPIBGMPMRDW-LGUFXXKBSA-N 428.561 5.095 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccccc1 1874399743 VFDJDBKWUVWTMH-LBGKPPMZSA-N 448.595 6.758 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2cccs2)cc1 1874422638 WSNUPRMJJHITSC-LFVJCYFKSA-N 434.590 5.970 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2sccc2C)c1 1874426403 GVYNNSOTTQIXEI-ZVHZXABRSA-N 447.589 5.236 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2Cl)n1/N=C/c1cccc2ccccc12 1874439655 MADLIERJJUXSGU-JVWAILMASA-N 449.023 6.848 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C2CCCC2)cc1 1874457480 QMKCDTIXRSZLSS-WYMPLXKRSA-N 447.391 6.123 30 10 IKEE CCOc1cc(/C=N/n2c(SCc3ccccc3C)nnc2-c2ccco2)ccc1O 1874464669 VUBICZWHSGYPOG-ZVHZXABRSA-N 434.521 5.125 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1/N=C/c1c[nH]c2ccccc12 1874477459 BGJAVIQZVIBKDP-CVKSISIWSA-N 446.580 5.023 30 10 IKEE CCCCc1nnc(SCC)n1/N=C/c1ccc(OCCc2ccccc2)c(OC)c1 1874478239 VVMDZQAZMIPRIU-XIEYBQDHSA-N 438.597 5.245 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(SCc2ccccc2)nnc1C1CCC1 1874495659 XXBWICVBSSCYMQ-WGOQTCKBSA-N 428.561 5.882 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(CCC)nnc2SCc2cccc(F)c2)cc1 1874506619 LZKLVMMTNJHRJB-YZSQISJMSA-N 440.588 6.113 30 10 IKEE C=C(C)CSc1nnc(C(C)C)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874513158 KEJVSNRDOHGUNZ-DHRITJCHSA-N 441.000 6.184 30 10 IKEE CCCNC(=O)COc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OC 1874593112 SJOBATHBVHHPCN-OQLLNIDSSA-N 429.516 5.163 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccccc3OC)c2)cc1 1874701221 HOGICPNXBFNJFW-OQLLNIDSSA-N 432.472 5.218 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OC(=O)CCOc1ccccc1 1874701403 RBHSWRVBAKGPTL-JLHYYAGUSA-N 430.500 5.583 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCSC)c(Br)c2)cc1 1875101214 SHAFACBROSFCKP-XYOKQWHBSA-N 447.394 5.956 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(C)c3)cc2)CC1 1875107509 UDOWTWRVOIYYMF-GZTJUZNOSA-N 434.576 6.802 30 10 IKEE C[C@H](C(=O)Oc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1Cl)c1ccccc1 1875121200 DYFYIMFVBJIOSR-TYZQSYOASA-N 425.311 6.599 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)c1c(F)cccc1Cl 1875128069 LTGPNVWOHNJBLZ-VAWYXSNFSA-N 440.854 5.612 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(C)=O)c(OC)c2)cc1 1875159065 ANJQVDXCXCMGRT-NTEUORMPSA-N 444.955 6.519 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(F)c3)cc2)cc1 1875162063 VEJCDYDHKQNDCD-OVCLIPMQSA-N 436.454 5.934 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OC(=O)CC(C)(C)C)c([N+](=O)[O-])c1 1875180553 XYWTVZFYMRBXBT-SOFGYWHQSA-N 445.899 5.803 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(Cl)c(C)c3)cc2)c(C)c1 1875182550 JAHUOJLWQTVMKR-KPKJPENVSA-N 448.946 6.454 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N(CC)CCCC)n2CC 1875201717 XLJWDAYWYIDHFJ-UHFFFAOYSA-N 429.653 6.266 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C1[C@H]2CC[C@H]1CN(C(=O)OC(C)(C)C)C2 1922074851 RCQMBUSPZBCCDN-FIXSFTCYSA-N 428.617 5.021 30 10 IKEE CC(C)(C)OC(=O)N(C1CCC1)[C@H](C#N)c1c(Br)cccc1Br 1938364823 JJMFHTSBAJPGBM-CQSZACIVSA-N 444.167 5.566 30 10 IKEE N#Cc1cc([C@H](CCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1F 1951675703 QGJIXQQPRXYONQ-DEOSSOPVSA-N 444.462 5.142 30 10 IKEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)C1=CC[C@@H](C(C)(C)C)CC1 2010744446 RJJVUIHYRSPAHT-VLCRHTCISA-N 429.601 5.827 30 10 IKEE C[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)[C@H](C)CN1C(=O)OC(C)(C)C 2032000895 RIUFNTHTHBZSRY-OJLQRUNKSA-N 447.551 5.495 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(Cc3ccccc3)C[C@H]2C)cc1 2037426392 LBECQXSDMHBXDH-FQRUVTKNSA-N 435.568 5.241 30 10 IKEE COc1ccc(Oc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2[N+](=O)[O-])cc1 2053614553 YDYMOCFTSGSEFB-UHFFFAOYSA-N 431.488 6.589 30 10 IKEE CCc1nn([C@H](c2cc(C)c(C)cc2C)C2CCC2)c(I)c1C#N 2079125449 RGRLMQDWMOXTOA-IBGZPJMESA-N 433.337 5.237 30 10 IKEE N#Cc1c(C2CC2)nn([C@H](c2ccc(C(F)(F)F)cc2F)C2CCC2)c1Br 2079904851 PHQWCESANBDCGP-KRWDZBQOSA-N 442.254 5.942 30 10 IKEE C[C@H](c1ccc(C2CCC2)cc1)n1nc(C2(C)CC2)c(C=NO)c1I 2079978462 AVDYAPVNLZTWSB-CYBMUJFWSA-N 449.336 5.224 30 10 IKEE N#Cc1c(C(F)(F)F)nn([C@H](c2ccc(C(F)(F)F)c(F)c2)C2CCC2)c1Cl 2080051895 FXYQWPPYFFFSGX-ZDUSSCGKSA-N 425.735 5.974 30 10 IKEE N#Cc1cc(Br)ccc1NCc1ccc(Br)cc1Br 2092168268 MSAWVOFZBIBNAM-UHFFFAOYSA-N 444.952 5.458 30 10 IKEE C=CCN(C[C@H](NCCC)c1cc(C)c(Br)cc1C)C(=O)OC(C)(C)C 2136379989 QFDOAAMVXVCRQW-IBGZPJMESA-N 425.411 5.530 30 10 IKEE CC1(C)CCC([C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)CC1 2158488717 HSEANWMPUZMXTM-JOCHJYFZSA-N 435.406 6.689 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1OCc1ccc(Br)cc1Cl 2197463693 HVEDSHIINACPHA-UHFFFAOYSA-N 437.570 5.289 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCCNC12CCCC2 2204348793 RBWVSKFJOFKQEY-OAQYLSRUSA-N 434.378 5.149 30 10 IKEE CC(C)(C)OC(=O)N(CCC(=O)C#Cc1ccccc1Br)Cc1ccccc1 2209723856 LFLQWFZTWYZPLS-UHFFFAOYSA-N 442.353 5.197 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(C(F)(F)F)ccc1Br 2228071604 CUPZVQRQNHNRQA-NHYWBVRUSA-N 435.284 6.068 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)C2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 2249552115 IVWLHRUNEQONOM-QSVWGWLCSA-N 447.963 5.231 30 10 IKEE Cc1cc(C)c(Oc2cccc(B3OC(C)(C)C(C)(C)O3)n2)cc1NC(=O)OC(C)(C)C 2266712562 UYUNVZNJVUIGQJ-UHFFFAOYSA-N 440.349 5.137 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](CCC(=O)C#Cc2ccc(Br)cc2)C1 2296217330 SXTNGPQQROCXOD-IEBWSBKVSA-N 434.374 5.233 30 10 IKEE CN(C(=O)OC(C)(C)C)C1(C[C@H](N)C#Cc2ccc(Br)cc2)CCCCC1 2296304991 NOFHLDALQZKZGD-LJQANCHMSA-N 435.406 5.088 30 10 IKEE Oc1cc(N=Cc2ccc(OCc3ccccc3)cc2)ccc1-c1nc2ccccc2s1 2296645059 VLORKKPPTZPXJW-UHFFFAOYSA-N 436.536 6.999 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(OCCCOc3cc(C)ccc3C)cc2)SC1=S 2297624717 GVRNCILAMBUDQW-UHFFFAOYSA-N 439.602 5.539 30 10 IKEE Cc1csc(N=C2SC(=Cc3c(F)cccc3Cl)C(=O)N2c2ccccc2)n1 2314543468 DZJNAMQYMBLKLM-UHFFFAOYSA-N 429.929 6.053 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3c(ccc4c3CN(C3CCCCCC3)CO4)C2=O)cc1 2322076115 QHTYVRWPJNNYAN-UHFFFAOYSA-N 431.576 6.475 30 10 IKEE O=C1C(=Cc2cccc(Cl)c2)Oc2c1ccc1c2CN(Cc2nc3ccccc3[nH]2)CO1 2322192755 DUWNJYKJKTZVGA-UHFFFAOYSA-N 443.890 5.185 30 10 IKEE CCc1ccc([C@@H](C)N2COc3ccc4c(c3C2)OC(=Cc2cccc(OC)c2)C4=O)cc1 2322259917 HHHCEFGLZOCIRG-GOSISDBHSA-N 441.527 5.787 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1c(F)cccc1Cl)C3=O)CN(Cc1ccco1)CO2 2322307921 VZXYGZXGYYPEPR-UHFFFAOYSA-N 425.843 5.349 30 10 IKEE CCOc1cc(C=NNc2ccc(OC)c(Cl)c2)ccc1OCc1cc(C)ccc1C 2322926611 PVTKYYGOTRKSQX-UHFFFAOYSA-N 438.955 6.389 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccccc2OCC(=O)Nc2cc(C)cc(C)c2)cc1C 2322981341 TUVVASXBQKNKRA-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE Cc1cc(OC(=O)c2ccccc2[N+](=O)[O-])cc2c1C(=O)C(=Cc1ccc(C(C)C)cc1)O2 2323154233 KQFBVAUZGHMVRW-UHFFFAOYSA-N 443.455 5.862 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc(OC(=O)c3cccc4ccccc34)c2C)C1=O 2323481328 ARGCREOBSXQLHQ-UHFFFAOYSA-N 436.463 5.992 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)C=Cc3ccc(C(C)C)cc3)cc(C)c2C1=O 2323510752 KIHKFFVMZRNCJV-UHFFFAOYSA-N 438.523 6.662 30 10 IKEE O=C(C=Cc1cccs1)Oc1ccc2c(c1)OC(=Cc1ccccc1OC(F)F)C2=O 2323521174 YZILXKYCCIEVLA-UHFFFAOYSA-N 440.423 5.585 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccc(OC)cc2)cc1Cl 2323628250 JLZCIWSKQPVPEL-UHFFFAOYSA-N 429.944 5.272 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(CC)cc2)C3=O)c1 2323854490 JLNFIWITDCFVAF-UHFFFAOYSA-N 426.468 5.649 30 10 IKEE CCCCCCCOc1ccccc1C=NNc1nc(-c2c(C)cc(C)cc2C)cs1 2323858426 UGSGWGPPUMKLOR-UHFFFAOYSA-N 435.637 7.531 30 10 IKEE Cc1c(OC(=O)c2cccc(OC(=O)C(C)C)c2)ccc2c1OC(=Cc1cccs1)C2=O 2323907872 KNVMHUFGEAORHK-UHFFFAOYSA-N 448.496 5.453 30 10 IKEE C=CCN(CC=C)Cc1c(O)cc(C)c2c1OC(=Cc1cn(CC)c3ccccc13)C2=O 2324082593 QEIJVNFRTIYTAQ-UHFFFAOYSA-N 428.532 5.465 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OCC(=O)Nc1ccccc1 2324439351 QDDJFYNNEJZMMV-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE COc1ccc(OCCOc2cc(C)c3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1 2324684699 QFCWABMOEAMGCI-UHFFFAOYSA-N 428.484 5.634 30 10 IKEE C[C@@H](NC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1Cl)C2=O)c1ccccc1 2325009126 MPGXRFPYBHERGT-MRXNPFEDSA-N 433.891 5.212 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(F)cc2)C3=O)c(Cl)c1 2325292261 HXARIFCCLBBZBX-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE Cc1c(OCc2ccccc2C#N)ccc2c1OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2325357899 NGZWKHZRSXOTFV-UHFFFAOYSA-N 436.294 6.369 30 10 IKEE Cc1cc(OCCC(=O)Nc2ccccc2)cc2c1C(=O)C(=Cc1ccc(C(C)C)cc1)O2 2325485934 RHKGGBITMDBNEQ-UHFFFAOYSA-N 441.527 6.142 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccccc2C)C3=O)cc1 2325616533 NOEADWLMLPMNLZ-GOSISDBHSA-N 441.527 6.142 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cccc(F)c3)c2)cc1 2325710436 FDGFMSYVJJILFU-UHFFFAOYSA-N 432.491 6.292 30 10 IKEE O=C(Cc1ccccc1F)Oc1cccc(C=CC(=O)c2cccc(Br)c2)c1 2325720450 VHEUNYWTESZXGH-UHFFFAOYSA-N 439.280 5.632 30 10 IKEE Cc1c(OCC(=O)Nc2ccccc2F)ccc2c1OC(=Cc1cccc(Cl)c1)C2=O 2325739418 AXKRRNZZVKYSDO-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE CCOc1cc(C=Nn2c(CC)nnc2SCc2ccc(C)cc2)cc(Cl)c1O 2326296225 AULMVMQIXCJSQI-UHFFFAOYSA-N 430.961 5.081 30 10 IKEE Cc1ccccc1CSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccc[nH]1 2327511931 LUUVTJIYHLAGNU-UHFFFAOYSA-N 437.956 5.322 30 10 IKEE CC(C)c1ccc(C=CC(=O)[C@@H]2C[C@H](NC(=O)c3cc(Cl)cc(Cl)c3)CCN2)cc1 2328343790 WVJBCMQAAJWWQD-YADHBBJMSA-N 445.390 5.250 30 10 IKEE CC(C)C[C@H](CS)COCc1cc(I)ccc1Br 2328526894 AMCWWPFCSHWAFU-NSHDSACASA-N 443.188 5.162 30 10 IKEE CCCSc1nnc(COCc2ccccc2)n1N=Cc1ccc(N(CC)CC)cc1 2329353417 LKZMKGXBAPHMEJ-UHFFFAOYSA-N 437.613 5.225 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccccc1 2329475263 KORKCYIHCPBEFI-UHFFFAOYSA-N 430.552 5.685 30 10 IKEE Cc1ccccc1C=Nn1c(CCc2ccccc2C)nnc1SCCc1ccccc1 2329489457 ICCMMSNPTVCJRZ-UHFFFAOYSA-N 440.616 5.897 30 10 IKEE CCCSc1nnc(CCc2ccccc2C)n1N=Cc1ccc(Br)cc1 2329500623 ZRCIKFFIWUHWFU-UHFFFAOYSA-N 443.414 5.519 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccccc3Cl)n2N=Cc2ccncc2)cc1 2329607681 RUVLRQPQSDMSLE-UHFFFAOYSA-N 440.359 5.821 30 10 IKEE Clc1cccc(CSc2nnc(-c3ccccc3Cl)n2N=Cc2ccco2)c1 2329611349 WEVFWDWDTLRBSS-UHFFFAOYSA-N 429.332 6.019 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccccc3F)nnc2-c2ccccc2)c1OC 2330672035 ILYOUKSVWPZYOQ-UHFFFAOYSA-N 448.523 5.276 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3[N+](=O)[O-])c(Cl)c2)cc1 2330743635 GGJQRVLHAXTNSM-UHFFFAOYSA-N 449.890 5.855 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Br)c2)cc(Cl)c1OC(=O)C1CCC1 2330993525 VUEQTBZRUWYULX-UHFFFAOYSA-N 449.728 5.713 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)c2ccc(C(C)(C)C)cc2)c(Cl)c1 2331061332 CRLQLRYQUYXBQP-UHFFFAOYSA-N 448.946 6.761 30 10 IKEE C=CCSc1nnc(C2CCCC2)n1N=Cc1ccc(OCCCCC)c(OCC)c1 2331081203 FLFRFBFVOQMXTN-UHFFFAOYSA-N 442.629 6.064 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)cc2F)c(Br)c1)c1ccccc1 2331170351 WUAQALOYQFDWCT-UHFFFAOYSA-N 443.243 5.843 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(C)c3)cc2)cc1 2331332759 JAELSUNJTHVPFH-UHFFFAOYSA-N 432.491 5.967 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2[N+](=O)[O-])cc1C 2331498392 MGBOWZFCRMZUSE-UHFFFAOYSA-N 443.499 6.450 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)ccc1OC(=O)[C@H]1CCCO1 2331601704 UGVPLQLRFBQTPN-RUZDIDTESA-N 444.483 5.468 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)c1ccc(C)c(C)c1 2331632442 RTYYUJUDIACPOT-UHFFFAOYSA-N 444.527 6.053 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(SCc2cccc3ccccc23)nnc1C(C)C 2331705750 IIJKHDAANNRHQJ-UHFFFAOYSA-N 444.604 6.516 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc1OC 2331753228 UOSJIRFWMKTALV-UHFFFAOYSA-N 444.955 6.438 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc(OC)c1OC(=O)CC 2331759008 HFAMPGAQFKDRDR-UHFFFAOYSA-N 428.912 5.606 30 10 IKEE COc1ccc(C=CC(=O)Nc2c(C#N)nnn2-c2cc(C(C)C)cc(C(C)C)c2)cc1 2332188674 JYYVNMDCOCXCJP-UHFFFAOYSA-N 429.524 5.046 30 10 IKEE CC[C@H](NCC1(CCOCc2ccccc2)CC1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363835919 ISHKWFSHQWVEQC-VWLOTQADSA-N 449.444 5.414 30 10 IKEE CN(c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CC(C)(C)[C@H]1OCc1ccccc1 2365069353 ZKYODDKGEPBTST-ZMNDGBDXSA-N 448.416 5.546 30 10 IKEE CCCCCCCCOCc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1 2377329207 JURVCBANNZCZOA-UHFFFAOYSA-N 425.216 5.625 30 10 IKEE CN(C)c1ccc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1[N+](=O)[O-] 16511611 PFOUTHINLBXPLA-OGLMXYFKSA-N 436.471 6.210 30 10 IKEE COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccn2)c1 21226208 KCFRBPZQELYZPJ-YHAMSUFESA-N 427.504 5.078 30 10 IKEE CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccccc2C#N)c1-c1ccc(C)cc1 25143275 LXVGPURCCSEBOD-UHFFFAOYSA-N 437.543 6.377 30 10 IKEE COc1cccc(N/C(=N\C(=O)c2cccc(Cl)c2)NCCc2c[nH]c3ccccc23)c1 32943274 DSPFBZOGGXSJRP-UHFFFAOYSA-N 446.938 5.271 30 10 IKEE CCn1nc(C)c(CN/C(=N/C(=O)c2ccccc2C)Nc2cccc(Cl)c2C)c1C 32972206 WVBWOMWJAGBDGV-UHFFFAOYSA-N 437.975 5.188 30 10 IKEE C=CCNC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc2c1CCCC2 34981896 OSJCEHOIEXGZLN-UHFFFAOYSA-N 430.982 5.663 30 10 IKEE C=CCC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C1CC1 36316043 NYPKPGBSVCGHKE-QHCPKHFHSA-N 431.580 5.479 30 10 IKEE COc1cc(/C=C2\S/C(=N/c3cccnc3Cl)N(c3ccccc3)C2=O)ccc1O 39864055 GFLQXCCHBXJFJB-SFLUQZEPSA-N 437.908 5.258 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)c(C)c2)[C@H]1c1ccc(CC)cc1 40091750 OENQNNZUJITIGY-XMMPIXPASA-N 435.564 5.725 30 10 IKEE COc1ccc2c(c1)c(/C=C1\Oc3cc(OCc4cccc(F)c4)ccc3C1=O)cn2C 41510013 AMMOBTDMVQTODC-GATIEOLUSA-N 429.447 5.521 30 10 IKEE C=CCNC(=O)c1cc(-c2csc(-c3ccccc3)n2)n(CCC2=CCCCC2)c1C 43251610 RULHEZRTUANGQK-UHFFFAOYSA-N 431.605 6.393 30 10 IKEE CC/C(=N/Nc1nc(SCC(=O)Nc2ccc(Cl)cc2Cl)n[nH]1)c1ccccc1 59020606 NEGVLKUZGLIQSR-IWIPYMOSSA-N 449.367 5.069 30 10 IKEE COC(=O)c1ccc(C)c(-c2ccc(/C=C3\S/C(=N/c4ccc(F)cc4)NC3=O)o2)c1 59105999 OJTFDZYWYARPRC-NDENLUEZSA-N 436.464 5.072 30 10 IKEE Brc1ccc(/C=N/c2ccc3nc(SCc4ccccc4)sc3c2)o1 59387244 FHCFDHPVOAYCHY-SRZZPIQSSA-N 429.364 6.695 30 10 IKEE COc1ccccc1N/C(=N\C(=O)c1ccc(Cl)cc1)NCCc1c[nH]c2ccccc12 66437603 JOQNBIBRAGVABX-UHFFFAOYSA-N 446.938 5.271 30 10 IKEE O=S(=O)(Nc1ccc(F)cc1)c1ccc(/N=C/c2ccc(Br)cc2)cc1 100046142 MPOVJJBHHDUAIH-LPYMAVHISA-N 433.302 5.140 30 10 IKEE FC(F)(CSCC(F)(F)C(F)(F)Cc1ccccc1)C(F)(F)Cc1ccccc1 100474460 KACCPLXWYUQIRG-UHFFFAOYSA-N 442.415 6.746 30 10 IKEE CCCCCCCOc1c(Cl)cc(C(=O)Nc2ccc(OC(F)F)cc2)cc1Cl 101139724 JEKREZOYJXTBRS-UHFFFAOYSA-N 446.321 7.196 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OC(=O)c4ccco4)ccc3C2=O)c2cc(OC)ccc21 103024720 ZKVXYXAKWUZXCJ-KSEXSDGBSA-N 429.428 5.098 30 10 IKEE CCC(CC)c1nnc(S)n1/N=C\c1ccc(OCc2cc(C)ccc2C)c(OC)c1 169910328 BHDCEXJZXRJEJW-QFEZKATASA-N 438.597 5.557 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2cccs2)c1 169928537 MWHLIRHGSQRXTH-HXUWFJFHSA-N 439.920 5.189 30 10 IKEE CCN1C(=S)N[C@H](c2cccc(OCc3ccc(Cl)cc3Cl)c2)C(C(C)=O)=C1C 169933417 NRMCTZGYIKUIMS-OAQYLSRUSA-N 449.403 5.687 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccc(N(C)C)cc2)cc1 169954078 WGBMKJMMEOSAMO-VWLOTQADSA-N 440.543 5.406 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1cccs1)c1ccc2ccccc2c1 169987950 XTPDMMUTPRJRGT-JOCHJYFZSA-N 447.462 5.962 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@H]1c1ccccn1 169997012 GTHZBQOTBFZFFN-HSZRJFAPSA-N 432.907 5.145 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)c1 170054843 HSNSIRZWQXVBTK-JOCHJYFZSA-N 433.891 5.127 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2cccc(O)c2)cc1 170081417 MOXDETQHZAJQML-QFIPXVFZSA-N 433.891 5.391 30 10 IKEE CC(C)Oc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccco2)cc1 170094842 NZHRXJBMWDMTJC-QHCPKHFHSA-N 442.471 5.331 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccc(C)c2)c1 170138996 MBEIMNJOZNSAKI-JOCHJYFZSA-N 433.529 5.234 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1ccc(OC(C)C)cc1 170152142 XXWYATHAOALSCZ-OSPHWJPCSA-N 449.547 5.176 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)cc(Cl)c2OC)[C@H]1c1cccs1 170164922 GBXKZZGRBDTOPB-MRXNPFEDSA-N 440.348 5.442 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccccn2)cc1 170171687 FYHHHUASJQSHKF-DEOSSOPVSA-N 436.467 5.026 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccccn1 170173468 XBMGPPBHRXFLHI-NRFANRHFSA-N 448.906 5.143 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccnc2)ccc1Cl 170189179 MCYQKTYNYCHUKG-QFIPXVFZSA-N 448.906 5.225 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccncc2)c1C 170202994 WEBLCZQDXNFDKY-RUZDIDTESA-N 438.527 5.360 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(OCC)cc1 170214312 KVLMCBWMKVMMGL-VWLOTQADSA-N 447.575 5.733 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1C 170272315 QEALSHHFMMDPEI-QFIPXVFZSA-N 447.918 5.748 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2c2ccc(F)cc2)o1 170299796 LTFNBAUISQRQMK-QHCPKHFHSA-N 449.478 5.606 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(C)o2)cc1 170300592 ZUOVMHRFTOLRKA-QHCPKHFHSA-N 431.488 5.250 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(C)o2)cc1C(C)C 170302654 LCQJWFHAFTXIME-XMMPIXPASA-N 445.515 5.893 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2ccccc2)o1 170302783 BJPKYVDVFXHRCF-LJQANCHMSA-N 438.277 5.133 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)[C@@H]1c1ccccc1F)c1cccs1 170382314 FNFHBAQXFFCXTO-GOSISDBHSA-N 447.409 5.689 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@H]2c2cccc(Oc3ccccc3)c2)c1 170456161 AEXDNWSZJIAIAG-AREMUKBSSA-N 441.527 6.303 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccc2ccccc2c1 253562701 DOULUWGXIOHYGJ-UHFFFAOYSA-N 434.952 5.669 30 10 IKEE C=C(COC(C)C)[C@@H](NCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 407056338 LWMZAAVFTDHGPO-GOSISDBHSA-N 427.383 5.428 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2cccc(C(F)(F)F)c2)cc1 526489312 QPBOZWZRQVUMIT-LJQANCHMSA-N 426.419 5.696 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1/N=C\c1ccc(O)c(OCC)c1 526803790 NLAGZVKTNUHVLB-OYKKKHCWSA-N 428.533 5.039 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1ccc(OC(C)(C)C)cc1 526808062 AOGNIMLAJZQINW-ONUIUJJFSA-N 436.625 6.281 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccccc1C(F)(F)F 526816598 AOLRQICSNNTNIK-MRUKODCESA-N 442.869 5.826 30 10 IKEE CCCCCOc1ccc(/C=N\n2c(C)nnc2SCc2c(F)cccc2Cl)cc1 526817437 NHUPVPXNUFPWNQ-QFEZKATASA-N 446.979 6.123 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1ccc(N(C)C)cc1 526823920 ANSOIEKRJBJVLB-FMCGGJTJSA-N 434.396 5.388 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(NC(=O)N(C)C3CCCCC3)CC2)c1 586094760 CWPRKFBAQKNBAK-UHFFFAOYSA-N 440.632 5.103 30 10 IKEE C=CCCN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586244072 ZTFRHTYHEJCARP-UHFFFAOYSA-N 435.170 5.527 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@H](C#N)c1ccc(OCc2ccccc2)cc1 698404990 GTPZSOZXOZTUPH-RUZDIDTESA-N 428.532 6.268 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H]([C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 698885591 RDCITGJZWPNARS-QMHKHESXSA-N 433.524 5.106 30 10 IKEE CCCCCCCCC[C@H](CCN(Cc1ccccc1)C(=O)OC(C)(C)C)NCCC 701328257 RCHPVPUAMIXGFV-RUZDIDTESA-N 432.693 7.323 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@@]1(C#N)C[C@@H]2C[C@@H](CN2Cc2ccccc2)C1 716619160 BTFSGKBVWCODNH-UVWWXKGLSA-N 435.543 5.514 30 10 IKEE O=C(O)c1ccccc1N=Cc1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1 1084562693 UTOAKQGTXBFZOK-UHFFFAOYSA-N 435.888 6.223 30 10 IKEE FC(F)(F)c1cccc(/N=C/C(Br)=C\Nc2cccc(C(F)(F)F)c2)c1 1088734499 FUTIAYSJEWSYKQ-LJTUTRITSA-N 437.181 6.775 30 10 IKEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCC(C)(C)C1CC1 1740541832 IOXSFULQXUORPD-HNNXBMFYSA-N 445.405 5.000 30 10 IKEE O=C1NC(=NN=Cc2ccccc2OCc2ccccc2)S[C@H]1Cc1ccccc1Cl 1772742381 OTXSYCISUGYXLD-QFIPXVFZSA-N 449.963 5.083 30 10 IKEE CC(=C/c1ccccc1)/C=C1/SC(=NN=Cc2ccc(O)cc2)N(Cc2ccco2)C1=O 1772757522 GWPCDCHUSNSEHY-COLKZDKYSA-N 443.528 5.438 30 10 IKEE COc1ccccc1C(=O)Nc1cccc2c(OC(=O)Nc3cccc(C#N)c3)cccc12 1858769880 PYSDARUIXXBAMQ-UHFFFAOYSA-N 437.455 5.583 30 10 IKEE C=CCN(C(=O)c1cc(OCC)c(OCC)c(OCC)c1)[C@H](C)CCc1ccccc1 1860036797 KFVAIAWPQMBHBB-HXUWFJFHSA-N 425.569 5.532 30 10 IKEE CCCCCCCCNC(=O)[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 1861021326 CSLUXZWQNMLZIT-NRFANRHFSA-N 445.947 5.196 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)c1ccc(Cl)c(Cl)c1 1861049935 BVRYQWJIHCTUNJ-JOCHJYFZSA-N 429.432 6.149 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc2nc(-c3ccc(OC)c(OC)c3)[nH]c2c1 1861874381 OZAXRHJKZYCXOE-UHFFFAOYSA-N 437.584 6.118 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2c(F)cc(F)cc2F)n(Cc2cccc(Cl)c2)n1 1862344016 TWWCJAVSCJATMH-UHFFFAOYSA-N 445.872 5.483 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccccc1C 1862382062 KIHIYEUBGPECBD-NRFANRHFSA-N 446.374 6.460 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2cccc(C)c2)cc1 1862389212 AOMCOSONBZHGCM-HQCZVFHSSA-N 445.603 6.495 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(F)cc2)cc1 1862391201 VRNXPIMNPHKANO-VWLOTQADSA-N 443.518 5.947 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(Cl)cc1 1862470168 HBKIHDOLWJGXQH-KRWDZBQOSA-N 434.717 5.089 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc3cc[nH]c3c2)c1 1862491308 PRTJJYFCEAYFPJ-DVKBMCPXSA-N 442.559 5.942 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccccc2C(=O)O)cc1 1862533579 KFXLLEPXLJMIQC-QHCPKHFHSA-N 447.531 5.248 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(Cl)cc1 1862557924 QVRRPRIKPRNTBG-IVZQSRNASA-N 432.907 5.262 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(OCCCC)cc1 1862600663 OXBCJUOAHCOGIA-QHCPKHFHSA-N 437.536 5.340 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 1862618601 GJKHVTIALKDVDZ-QFIPXVFZSA-N 448.519 5.413 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccccc1Cl 1862661167 PKYPOZFXUUDBBW-OAQYLSRUSA-N 427.928 5.078 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc(C(C)C)cc2)c1 1862701643 JXZJJSLLGRVJSW-XYURVEJXSA-N 447.575 5.976 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cccc4cccnc34)C2=O)c1 1863020522 RPVMJAAMGJQSOK-UHFFFAOYSA-N 444.494 5.120 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C)c2C)=C(c2ccccc2[N+](=O)[O-])C1=O 1863233661 BIPGXAVSVAGGLS-UHFFFAOYSA-N 449.551 5.764 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(CCCCc3ccccc3)C2=O)cc1C 1863260998 QLUQXXHRAIVNNH-UHFFFAOYSA-N 449.554 5.390 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2F)C(=O)N(Cc2ccc(OC)cc2)C1=O 1863638980 IRRYGIWWBXKZCK-UHFFFAOYSA-N 438.543 5.065 30 10 IKEE CCCCCCCCNC1=C(c2cccs2)C(=O)N(CCc2ccc(Cl)cc2)C1=O 1863797471 RUALSRYUGQCRIK-UHFFFAOYSA-N 445.028 5.674 30 10 IKEE CCCc1nc(Nc2ccccc2C#N)cc(N2CCC(c3nc(C)c(C)s3)CC2)n1 1868398107 IOVWIBJSAQEPMX-UHFFFAOYSA-N 432.597 5.502 30 10 IKEE C=CCN(CC=C)c1cc(N2CCO[C@@H](c3ccc(CC)cc3)C2)nc(-c2ccccc2)n1 1869207432 DYVHBMGCKSKZTJ-RUZDIDTESA-N 440.591 5.462 30 10 IKEE CCCCCCOc1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 1870158039 RMDSUDSMHINNGH-UHFFFAOYSA-N 445.567 5.648 30 10 IKEE CCCCCCCCCCn1cc(OCCC)c(=O)cc1CNc1cccc(Cl)c1C 1871105883 DTMHAGIWRUPCDY-UHFFFAOYSA-N 447.063 7.352 30 10 IKEE CCCCCCCCCCn1cc(OCC(N)=O)c(=O)cc1CNc1cccc(Cl)c1 1871118410 OULWDTVPQKHLPG-UHFFFAOYSA-N 448.007 5.119 30 10 IKEE C=CCn1cc(OCc2ccccc2Cl)c(=O)cc1CNc1ccc(F)c(Cl)c1 1871242293 PEZRYCMEPNJAKE-UHFFFAOYSA-N 433.310 5.671 30 10 IKEE CCCCCCCCCCn1cc(OCCCO)c(=O)cc1CNc1ccc(Cl)cc1 1871264938 BRZAQYMLSLPRNQ-UHFFFAOYSA-N 449.035 6.016 30 10 IKEE CCCCCCCCN=c1[nH]c(Nc2ccc(-c3ccccc3C)cc2)ncc1[N+](=O)[O-] 1871306751 GNTWLXDNPWSWCU-UHFFFAOYSA-N 433.556 6.298 30 10 IKEE CCCCCCCCCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 1871313911 OAELNJCHLYSSFY-UHFFFAOYSA-N 426.608 7.640 30 10 IKEE COc1cccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN([C@@H]2CCCC[C@@H]2C)C4)c1OC 1871351362 WXRZMQRLZNJCRH-UZBCCDKOSA-N 449.547 5.359 30 10 IKEE COc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN(Cc2ccccc2F)C3)C1=O 1871352552 PMMXYSMVMQTQHW-FMCGGJTJSA-N 431.463 5.111 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1cn(C)c4ccccc14)C3=O)CN(C1CCCCCC1)CO2 1871353084 CWSYYTXRBWHQMQ-QFEZKATASA-N 442.559 5.978 30 10 IKEE CC[C@H](C)N1COc2c(cc3c(c2C)O/C(=C\c2cccc(Br)c2)C3=O)C1 1871353383 OUNAPLNWSYURLB-ATDWHHCWSA-N 428.326 5.324 30 10 IKEE CC(=O)Nc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(C)c2)C3=O)c1 1871365213 RSLZURRXWIYPRJ-QRVIBDJDSA-N 427.456 5.097 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc([N+](=O)[O-])cc4)ccc3C2=O)cc1 1871380771 ANKFPHWPZQZPCZ-HMSZGEISSA-N 427.412 5.138 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc(OC(C)C)cc3)cc(C)c2C1=O 1871388434 WFLXRBVMYGOVHZ-OYKKKHCWSA-N 428.484 5.926 30 10 IKEE Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2C)C3=O)c(C)c1 1871403532 YOUNYXNFHYDOBJ-PUDRWSQFSA-N 441.527 5.942 30 10 IKEE CCc1ccc(OCCCOc2ccc3c(c2C)O/C(=C\c2cccc(OC)c2)C3=O)cc1 1871413282 XLFBQPORIYGMEO-ITYLOYPMSA-N 444.527 6.030 30 10 IKEE C=CCN([C@H](CCC)C(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccs1 1871785495 LJBQJYYCPPKVGT-MRXNPFEDSA-N 447.409 5.039 30 10 IKEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1871871847 VVDILZGEPOKJKU-QFIPXVFZSA-N 449.016 5.187 30 10 IKEE CC(C)c1ccc(O[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 1872760770 XKDWJFWTOGAWJR-UUOWRZLLSA-N 440.568 6.730 30 10 IKEE CC(C)(C)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 1872762857 YBGJVBAIJBJURI-QGZVFWFLSA-N 429.372 6.904 30 10 IKEE COc1c(Cl)cc(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)nc3)n2)cc1Cl 1872785686 SWIGYJFIPSIEKA-LLVKDONJSA-N 438.723 5.664 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)Cc2cccc3ccccc23)n1 1872786872 VGBXANOKWMYHME-NRFANRHFSA-N 446.959 6.353 30 10 IKEE CCCCCCCCNC1=C(c2c(C)cc(C)cc2C)C(=O)N([C@@H]2CCCC[C@@H]2C)C1=O 1873120888 JHIMTXVMILJZKK-NZQKXSOJSA-N 438.656 6.221 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H](CC)CCCCC)=C(c2ccc(OC)cc2)C1=O 1873142082 DKRDRXADEJPAOY-JOCHJYFZSA-N 442.644 6.084 30 10 IKEE COc1ccc(/C=N/Nc2ccc(Cl)c(Cl)c2)cc1OCc1ccc(Cl)cc1 1873498927 RJRZCIJOUPIVLW-BRJLIKDPSA-N 435.738 6.680 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C(F)(F)F)cc2)cc2c(N(CCC)CCC)ncnc21 1873665938 PWHNDXRITWDGBK-UHFFFAOYSA-N 445.489 5.515 30 10 IKEE CCCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1ccccc1O 1874202908 FWRTWWJPIZOLOY-MFKUBSTISA-N 438.597 5.553 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccc(C)cc1 1874214532 RAJBTISIIHYYGH-LFVJCYFKSA-N 426.973 5.412 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(COc2ccc(Cl)c(C)c2)nnc1SCC 1874230426 IZLYUKCJWURRBH-ZVHZXABRSA-N 442.972 5.378 30 10 IKEE C=C(C)CSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1ccc(CC)cc1 1874245883 BSTAROPREYTWEJ-YZSQISJMSA-N 434.609 5.711 30 10 IKEE CCCc1ccc(OCc2nnc(SC)n2/N=C/c2ccc(Cl)cc2Cl)cc1 1874256505 FBTLYEPZLKZTFJ-FSJBWODESA-N 435.380 5.721 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccc(C)c(C)c3)n2/N=C/c2cccnc2)cc1 1874329130 XYTKVCNKRGDYCK-OGLMXYFKSA-N 441.604 5.558 30 10 IKEE CCCOc1cccc(/C=N/n2c(CCc3ccc(C)c(C)c3)nnc2SCCC)c1 1874331990 PZNUXPBNGMLYGC-NLRVBDNBSA-N 436.625 5.853 30 10 IKEE Oc1cccc(/C=N/n2c(Cc3ccc(Cl)cc3)nnc2SCCc2ccccc2)c1 1874342676 CJUKCPRJGKSLMQ-YZSQISJMSA-N 448.979 5.445 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2cccs2)cc1 1874349060 RTNDWCBHPCSQNF-BUVRLJJBSA-N 434.590 5.422 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2C)n1/N=C/c1cccnc1 1874361363 QBVWSYPTQTYZJI-WPWMEQJKSA-N 427.577 5.250 30 10 IKEE Cc1ccccc1/C=N/n1c(COc2ccccc2)nnc1SCc1cccc(F)c1 1874383737 VJASZCIOPDVGFT-CVKSISIWSA-N 432.524 5.479 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1ccc(Cl)cc1Cl 1874388988 FUJGDRKKICZBKI-WYMPLXKRSA-N 431.392 6.035 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2[C@@H](C)c2ccccc2)c1 1874392069 CKGDLULIALXFCF-KKMLCIJBSA-N 442.588 5.921 30 10 IKEE Fc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccccc2F)cc1 1874408008 ALEOLVZDUQYQDS-CVKSISIWSA-N 426.536 5.854 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(Cc2ccccc2)n1/N=C/c1ccco1 1874418388 MUYFCDCTXDAQNI-ZMOGYAJESA-N 443.359 5.943 30 10 IKEE Cc1cccc(CSc2nnc(CC(C)(C)C)n2/N=C/c2c(Cl)cccc2Cl)c1 1874437645 LZYVXXUKTSLAJX-DHRITJCHSA-N 447.435 6.656 30 10 IKEE Clc1cccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CCCC2)c1 1874455637 CCDZEXBVJJGFAC-ZMOGYAJESA-N 431.392 6.417 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCCC)nnc2C2CCCC2)cc1OCC 1874456577 CDAQXTYARXZQOF-JJIBRWJFSA-N 430.618 5.898 30 10 IKEE CC(C)Cc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc(C(=O)O)cc1 1874489918 RMPPQLGBPYAHAN-FSJBWODESA-N 428.945 5.003 30 10 IKEE Fc1cccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CCC2)c1 1874497365 GUWXQOVQWRAWMW-BHGWPJFGSA-N 435.355 6.166 30 10 IKEE O=C(/C=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 1874570098 OSOXNGQBWAKLQS-PKNBQFBNSA-N 428.271 6.377 30 10 IKEE O=C(/C=C/c1cc(Br)ccc1OCc1ccc(F)cc1)c1ccc(F)cc1 1874583750 DYOYSNOYKRAKSY-VZUCSPMQSA-N 429.260 6.202 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(F)c(F)c2)o1 1874584680 AKBJOSGMZCYTSW-XBXARRHUSA-N 446.833 5.863 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cc(Cl)ccc1OCc1cccc(F)c1 1874589207 ZDIDOKDXHBUYPX-SOFGYWHQSA-N 445.317 6.925 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1cccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c1 1874594724 ZGIKBBKRBUTJFO-NTEUORMPSA-N 430.460 5.125 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCc3c(F)cccc3Cl)c2)c(OC)c1 1874598866 IZOVTCCMNWXATM-FMIVXFBMSA-N 426.871 5.971 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCc3cc(C)ccc3C)c(OCC)c2)cc1 1874615179 LDCNVDFCJQDDMY-OQLLNIDSSA-N 430.544 6.576 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OCCc3ccccc3)c([N+](=O)[O-])c2)cc1 1874622475 FPWHPTFCHUSEJK-OQLLNIDSSA-N 429.516 6.410 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1 1874635713 VLQHNDZMWFCAPK-FOWTUZBSSA-N 435.608 6.216 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)CCOc3ccccc3)c2)cc1 1874701559 YUNIOUDDSZCSIO-OQLLNIDSSA-N 446.499 5.365 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1OC(=O)Cc1ccc(F)cc1 1874703775 HFADSFRJBUOENB-YRNVUSSQSA-N 434.463 5.196 30 10 IKEE COc1ccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3cccc4ccccc34)c2)cc1 1874708370 ZNZMKJPTXIKGFB-NBVRZTHBSA-N 436.507 6.283 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OC(=O)CCc1ccc(Cl)cc1 1874713921 URKKKVMVVBPBLX-NTUHNPAUSA-N 448.946 6.400 30 10 IKEE CCOc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)cc3OC)c2)cc1 1874714113 FCVYBADYKGCLMS-XNTDXEJSSA-N 446.499 5.147 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3c(C)cccc3C)c2)c(OC)c1 1874715029 ZCHFEPOJSHLDFL-SDNWHVSQSA-N 446.499 5.201 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCc3ccccc3)c2)c(OC)c1OC 1874717341 MCLSEFAEFCBRAY-NTCAYCPXSA-N 446.499 5.147 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(Cl)cc3)c2)c2ccccc12 1874718143 AYUYTDIYVUBEAD-OQLLNIDSSA-N 442.898 6.617 30 10 IKEE COCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1Br 1875097448 LIWFAJWNUGJPKJ-UXBLZVDNSA-N 443.337 5.166 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3cc(F)ccc3F)cc2)cc1C 1875107500 SVRATFVSRQNGQS-VZUCSPMQSA-N 438.426 5.162 30 10 IKEE CCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2ccc(Br)cc2)cc1OC 1875110192 YWKZEAOUKAJTBQ-IZZDOVSWSA-N 433.298 5.068 30 10 IKEE Cc1cc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3Cl)cc2)ccc1Cl 1875111753 PAHSIFOAVILNOO-MDWZMJQESA-N 441.310 6.182 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC(C)(C)C)c(Br)c2)cc1 1875114003 JFQGJPCKPWGIPY-VZUCSPMQSA-N 431.326 5.695 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)c1ccc(Cl)cc1 1875119907 SMBMBUBBNOHEHC-RIYZIHGNSA-N 436.891 5.863 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 1875125799 BKMGXJMIDYRORT-WUXMJOGZSA-N 427.884 6.020 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)cc1 1875129396 ABDLLGSYVQNBCR-GIDUJCDVSA-N 431.444 5.417 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OCC)cc2)cc(OC)c1OC(=O)c1ccco1 1875130451 HLSSMYFKORAIND-NTEUORMPSA-N 432.472 5.531 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)c1cc2ccccc2n1C 1875136952 OGBRXMVQFJOQTF-RVDMUPIBSA-N 439.511 6.001 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])cc1 1875158038 BUJRTJHSCWIDJH-QLKAYGNNSA-N 435.407 5.248 30 10 IKEE CCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)cc1OCC 1875165892 FMIPYRGYZSDIQM-VQHVLOKHSA-N 437.319 6.002 30 10 IKEE Cc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3c(C)cc(C)cc3C)cc2[N+](=O)[O-])c1 1875183229 QFDQMYJIZFAIFD-CSKARUKUSA-N 429.472 5.944 30 10 IKEE CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1880354558 VJBNFJCEWMTFBO-CPJSRVTESA-N 443.588 5.351 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cc(Cl)sc3Cl)cc21 1890298982 QESXTEPIMAGNHX-UHFFFAOYSA-N 425.337 5.245 30 10 IKEE N#Cc1ccc(C(=O)NCCSc2cn(Cc3ccccc3)c3ccccc23)cc1F 1891744002 MZISOQHYZFCKLO-UHFFFAOYSA-N 429.520 5.222 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C)NCC 1922054205 INJUDYSVKONXLU-HJOGWXRNSA-N 430.633 5.601 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CCCC[C@]1(C)NC(=O)OC(C)(C)C 1922078580 XTYXLIPWKFPOEN-UMFSSWHCSA-N 430.633 5.601 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CN(C(=O)OC(C)(C)C)CC(C)(C)C1 1922769543 ORILFGKTBWHWGV-RUZDIDTESA-N 443.588 5.666 30 10 IKEE CC(C)C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(CC(C)C)C(=O)OC(C)(C)C 1944819425 IVVYHLASZUAXGO-CYFREDJKSA-N 437.625 5.445 30 10 IKEE CCC[C@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(C)c1 1945774757 WROCWUZUIVUKTE-QUCCMNQESA-N 431.577 5.570 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1)NCCC 2025161148 FTQBAQMRZHOYHZ-YFNKSVMNSA-N 430.633 5.601 30 10 IKEE C=CCCCCCCCCC(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2026309265 COCAAXCMXGHVEJ-HSZRJFAPSA-N 431.617 6.363 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(C)sc(C)c1Br 2027387448 AYYXWCLDSURWNZ-PBHICJAKSA-N 431.440 5.638 30 10 IKEE C=CCC1(C(=O)c2ccc(Cl)c(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2035955827 MRORKOJISGSXEU-UHFFFAOYSA-N 432.717 5.238 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)c(Br)c1)NC 2047971552 UXONSTFNLNSGKR-IRXDYDNUSA-N 431.802 5.093 30 10 IKEE O=C(C=Cc1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(Br)cc1 2053490419 PHAVBHNQANEVDS-UHFFFAOYSA-N 435.346 6.259 30 10 IKEE O=C(C=Cc1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1ccccc1Br 2053504719 HZAKVIILYGATAY-UHFFFAOYSA-N 442.294 5.195 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCN(C(=O)OC(C)(C)C)C2(C)C)c1 2068176158 SFWVQVRTZQJANA-VWLOTQADSA-N 443.588 5.808 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1(C)C 2068177135 CCOZZSSHYYWPAE-XMMPIXPASA-N 447.551 5.639 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H]3C[C@@H](OCc4ccccc4)C[C@H]32)c1 2070323882 AIPUTIOSGREJRR-WDGUNVFXSA-N 432.564 6.014 30 10 IKEE CC(C)c1nn([C@H](c2ccc(C(F)(F)F)cc2)C2CC2)c(Br)c1C=NO 2079849075 RNDOVIHAUGIZGC-INIZCTEOSA-N 430.268 5.595 30 10 IKEE CC[C@H](c1ccc(C(F)(F)F)cc1F)n1nc(C2(C)CC2)c(C=NO)c1Br 2079946506 WTXYDPLJMCKEPF-CQSZACIVSA-N 448.258 5.663 30 10 IKEE COc1ccc([C@H](n2nc(C(F)F)c(C=NO)c2Br)C2(C)CC2)c(C)c1 2079951276 QQPTUNXRYJKJQR-HNNXBMFYSA-N 428.277 5.098 30 10 IKEE N#Cc1c(C2CCCCC2)nn(-c2ccc(Cl)cc2Br)c1Br 2080310882 ZOGNMFVUIIPGLF-UHFFFAOYSA-N 443.570 5.970 30 10 IKEE Fc1cc(-c2c(C(F)F)nn(C(F)(F)F)c2Br)cc(C(F)(F)F)c1 2080845940 RMAWUVTUWOAJAD-UHFFFAOYSA-N 427.064 5.884 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@]1(C)CNc1cc(Br)cc(F)c1C#N 2107452480 YGNALYVGSQEGMI-IBGZPJMESA-N 426.330 5.051 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(Cl)ccc(Br)c1F 2122147935 LFTJWRWHEDYLAZ-PBHICJAKSA-N 447.776 5.199 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)ccc(Br)c1F 2159126623 WXSGSVOUHQMTEK-QAPCUYQASA-N 445.348 5.075 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@@H]1Nc1cc(Br)cc(C#N)c1 2162332749 AIIPQOLXJNKJHK-MAUKXSAKSA-N 434.378 5.206 30 10 IKEE Cc1c(Cl)cc(COc2ccccc2B2OC(C)(C)C(C)(C)O2)cc1Br 2167554880 BYJPFEKRWFCJAP-UHFFFAOYSA-N 437.570 5.289 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)[C@@H](CC(C)C)NC(=O)OC(C)(C)C 2235728429 LNWGXJCQFANCCP-VQTJNVASSA-N 437.422 5.108 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCCC)c2ccc(Br)cc2C)C1 2237540187 FXADBWIYAYWWRV-LJQANCHMSA-N 437.422 5.659 30 10 IKEE Cc1cc(NC(=O)[C@@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)cc(C)c1C#N 2243056226 BYSUQUYXYNHIEB-GOSISDBHSA-N 439.515 5.041 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)c(Cl)c1 2247944387 OIYWTDUSRLCCQF-ZIAGYGMSSA-N 436.745 5.108 30 10 IKEE Cc1cc(NC(=O)OC(C)(C)C)ccc1NC(=O)C1CC(B2OC(C)(C)C(C)(C)O2)C1 2255864959 BWYMEKFQSDGXMX-UHFFFAOYSA-N 430.354 5.153 30 10 IKEE C=C(C)CCCC[C@@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2259232614 DAYHVCHTLOKWBV-SHQCIBLASA-N 443.676 5.661 30 10 IKEE C=CCCC1([C@H](NCC)c2cccc(Br)c2C)CN(C(=O)OC(C)(C)C)C1 2281038746 WBEZRDPXENYPEO-LJQANCHMSA-N 437.422 5.611 30 10 IKEE C=CC[C@]1(COc2cc(Br)cc(F)c2N)CCCN(C(=O)OC(C)(C)C)C1 2287751472 LHBJFIIQKPHQFG-FQEVSTJZSA-N 443.357 5.143 30 10 IKEE CC(C)(C)OC(=O)N[C@](C)(C1CCCCC1)[C@H](O)C#Cc1ccc(Br)cc1 2296271712 FZKZOXOBARSEHD-DENIHFKCSA-N 436.390 5.025 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H](CCC)N(C)C(=O)OC(C)(C)C 2296304387 GSXYCWHLEUDNNY-VQTJNVASSA-N 437.422 5.204 30 10 IKEE Cc1ccc(NC(=S)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 2296405154 OTZMFCJINXMMCE-UHFFFAOYSA-N 445.979 5.822 30 10 IKEE CON=C(C)[C@@H]1C(=NOC)C[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 2297548841 KLCZPBNZZJGNRW-OWWUPVJGSA-N 432.605 5.212 30 10 IKEE Cc1ccc([C@@H](CNc2oc(C=Cc3ccc(F)cc3)nc2C#N)N2CCC(C)CC2)o1 2297679780 MVCVAPRYAGCFNA-JOCHJYFZSA-N 434.515 5.642 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@H]1CCC[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C 2298154516 IGDLHWRRFXQWCG-CJRSTVEYSA-N 428.617 5.163 30 10 IKEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CCC(F)(F)C[C@H]1OCc1ccccc1 2305403278 MSHAXPBXORNIGJ-RCZVLFRGSA-N 429.507 5.293 30 10 IKEE CCOc1ccc(C=CC(=O)c2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1 2314429459 HRYGIUKPISTDSV-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE COc1ccc(C=C2Oc3cc(OCc4c(F)c(F)c(F)c(F)c4F)ccc3C2=O)cc1 2314438310 OHWXPAKDJYOROR-UHFFFAOYSA-N 448.343 5.586 30 10 IKEE COc1cc(C=C2Oc3cc(OCc4ccccc4C)cc(C)c3C2=O)cc(OC)c1OC 2321740027 CEKUQURQEGFDER-UHFFFAOYSA-N 446.499 5.524 30 10 IKEE Cc1c(OCc2ccc(Cl)c(Cl)c2)ccc2c1OC(=Cc1ccccc1Cl)C2=O 2321789724 YXKSTIFRFQGDRB-UHFFFAOYSA-N 445.729 7.150 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccccc1Cl)O3)CN([C@H](C)c1ccccc1)CO2 2322092348 KQMUGXXQBPHFDM-QGZVFWFLSA-N 431.919 6.178 30 10 IKEE Cc1ccc(CN2COc3c(cc4c(c3C)OC(=Cc3ccccc3Cl)C4=O)C2)cc1 2322307561 DADBXYQWZCRXSU-UHFFFAOYSA-N 431.919 5.925 30 10 IKEE CCCCC[C@H](CC)N1COc2c(cc3c(c2C)OC(=Cc2ccc(C(C)C)cc2)C3=O)C1 2322356826 SRYKFCWSVMKXQU-DEOSSOPVSA-N 447.619 7.245 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccccc1OCC(=O)Nc1ccc(C)c(C)c1 2322638227 SYSZXWOIBIALLJ-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE O=C(Cc1cccs1)Oc1ccc2c(c1)OC(=Cc1c(Cl)cccc1Cl)C2=O 2322860708 VLVWIQBDQSPSKU-UHFFFAOYSA-N 431.296 5.819 30 10 IKEE CCOc1ccc(Br)cc1C=CC(=O)c1cc(Cl)c(OC)c(Cl)c1 2322969352 KNBRFCZLDIJBMD-UHFFFAOYSA-N 430.125 6.059 30 10 IKEE O=C(C=Cc1cccc(OCc2c(F)cccc2Cl)c1)c1cccc(Br)c1 2323097927 POXGEDUHYXAKIR-UHFFFAOYSA-N 445.715 6.717 30 10 IKEE O=S(=O)(NN=Cc1c(Cl)ccc(Cl)c1Cl)c1ccc(Cl)c(Cl)c1 2323354649 PTKTXUUQTWERPB-UHFFFAOYSA-N 432.543 5.266 30 10 IKEE Sc1nnc(C2CCCCC2)n1N=Cc1ccc(OCc2ccccc2)c(Cl)c1 2323485278 KDMPPWMRVWZMCU-UHFFFAOYSA-N 426.973 5.729 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)CC4CCCCC4)cc(C)c3C2=O)c(OC)c1 2323485454 JFPDXXLSPIHJSZ-UHFFFAOYSA-N 436.504 5.504 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1cccc(Cl)c1)C2=O)c1ccc(-n2cccc2)cc1 2323675272 WLHPCHKCHUINBR-UHFFFAOYSA-N 441.870 5.966 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1 2323886793 VCAZYJKFGIOLDU-UHFFFAOYSA-N 446.430 5.285 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)OC(C)C)cc2c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O2 2324305553 FTCOAXOMOOJGMK-ZDUSSCGKSA-N 435.303 5.637 30 10 IKEE Cc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1C)OC(=Cc1ccc(Cl)cc1)C2=O 2324412775 CQTCFXQGXWJPJF-KRWDZBQOSA-N 447.918 5.979 30 10 IKEE Cc1cccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4cccc(Cl)c4C)ccc3C2=O)c1 2324430343 VUNXVURWQLMKMI-KRWDZBQOSA-N 447.918 5.979 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OCC(=O)Nc1cccc(C)c1 2324456091 STWPOMZQUNLMQG-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2sccc2C)C3=O)c1 2324463840 MGCBDRQSEGTWSG-SFHVURJKSA-N 447.556 6.004 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1ccccc1)C2=O 2324510292 LULFLYUDQUFVGO-MRXNPFEDSA-N 433.891 5.671 30 10 IKEE Cc1ccc(OCCOc2cc(C)c3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)cc1 2324538672 GFRFQQXRLJUEFG-UHFFFAOYSA-N 429.516 5.443 30 10 IKEE CCCOC(=O)COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1OCC 2324584889 LVEAQAUOWCROFQ-UHFFFAOYSA-N 438.564 5.919 30 10 IKEE CCc1ccc(NC(=O)[C@H](CC)Oc2ccc3c(c2)OC(=Cc2sccc2C)C3=O)cc1 2324816807 FIZNWOUERUWHRC-NRFANRHFSA-N 447.556 6.031 30 10 IKEE Cc1c(OCC(=O)Nc2nccs2)ccc2c1OC(=Cc1ccc(C(C)C)cc1)C2=O 2325589672 JMXZIGSIBQJWAR-UHFFFAOYSA-N 434.517 5.209 30 10 IKEE CCc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(-c4ccccc4)cc3)c2)cc1 2325669568 COHYFAKTDQEKNW-UHFFFAOYSA-N 432.519 7.031 30 10 IKEE COc1cccc(C(=O)C=Cc2cccc(OC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)c2)c1 2325707502 GDYZLSRGLKGQBA-FQEVSTJZSA-N 444.527 6.088 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccccc3OC)c2)cc1 2325733425 NDHJEDKGUUSBTG-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2C)C3=O)cc1C 2325738873 BXALNJGZKTWCQD-UHFFFAOYSA-N 427.500 5.554 30 10 IKEE CCN(CC)C(=O)COc1cc(C)c2c(c1)OC(=Cc1c(Cl)cccc1Cl)C2=O 2325743311 KMFCWBBBQSAFFM-UHFFFAOYSA-N 434.319 5.165 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1OC(=O)c1ccc(C)c(C)c1 2325755234 FLSGFFYPMAIWIC-UHFFFAOYSA-N 444.527 6.053 30 10 IKEE COc1cc(C(=O)C=Cc2cccc(OC(=O)CCCSC)c2)c(OC)cc1Cl 2325759235 UUKAVRFJVKXTSK-UHFFFAOYSA-N 434.941 5.302 30 10 IKEE CCCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1cccc(F)c1 2325905652 ROPPICXIHGBJOU-UHFFFAOYSA-N 440.588 5.986 30 10 IKEE CCOc1c(Cl)cc(C=Nn2c(C)nnc2SCc2ccc(C)cc2)cc1Cl 2326295374 KKALFTCOGNNBIV-UHFFFAOYSA-N 435.380 5.775 30 10 IKEE CCOc1cc(C=Nn2cnnc2SCc2c(Cl)cccc2Cl)ccc1OC 2326509116 IDVMSUGFQJSQJY-UHFFFAOYSA-N 437.352 5.167 30 10 IKEE C=CCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc(C(=O)O)cc1 2326618567 QYHIIPWWJJZHOK-UHFFFAOYSA-N 442.544 5.075 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2Cl)n1N=Cc1cccc2ccccc12 2327649431 CEVWQWXTDLTJGH-UHFFFAOYSA-N 448.979 6.214 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(OC)cc2)n1N=Cc1c(F)cccc1Cl 2328576724 GLLOPULPKVXHMD-UHFFFAOYSA-N 444.963 5.415 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1c(F)cccc1Cl 2328945754 IJNYQCHAKDXFIQ-UHFFFAOYSA-N 442.991 6.023 30 10 IKEE CCCCCOc1ccc(C=Nn2c(Cc3ccc(Cl)cc3)nnc2SC)cc1 2329065387 RYGUXUAHFYYDJR-UHFFFAOYSA-N 428.989 5.695 30 10 IKEE COc1ccc(Cc2nnc(SCc3cccc(C)c3)n2N=Cc2ccccc2)cc1 2329252562 FBACQHBXAFBUME-UHFFFAOYSA-N 428.561 5.360 30 10 IKEE Cc1ccc(C=Nn2c(CCc3ccccc3C)nnc2SCc2ccccc2)cc1 2329488500 VSPRBWAUSKXXIU-UHFFFAOYSA-N 426.589 5.855 30 10 IKEE Fc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2N=Cc2cccs2)cc1 2329865811 WOSMQJDYBOGVMI-UHFFFAOYSA-N 442.972 5.897 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccccc3)n2N=Cc2ccccc2O)cc1 2329872542 JTFPMZKLHLWLDY-UHFFFAOYSA-N 430.533 5.046 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2cccc3ccccc23)n1N=Cc1ccccc1 2330127242 VFDJDBKWUVWTMH-OAQYLSRUSA-N 448.595 6.758 30 10 IKEE Cc1ccccc1NC(=O)CSc1nnc(C2CCCC2)n1N=Cc1sccc1C 2331048529 VMWIXPPYVMXMMP-UHFFFAOYSA-N 439.610 5.227 30 10 IKEE FC(F)(F)c1nnc(SCCc2ccccc2)n1N=Cc1c(Cl)cccc1Cl 2331142395 JBIIEYIRCHMWSI-UHFFFAOYSA-N 445.297 5.821 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2F)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 2331146830 AXJBUAPTAVYZSS-UHFFFAOYSA-N 425.799 5.503 30 10 IKEE FC(F)(F)c1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccncc1 2331156660 UPNZWOFCOHGYEN-UHFFFAOYSA-N 432.258 5.173 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)c(C)c1 2331216092 FSHJHEQIMYTVOV-UHFFFAOYSA-N 435.863 5.980 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)CCCOc3ccc(Cl)cc3)cc2)c1 2331315999 MSPOLNJBDDQKNL-UHFFFAOYSA-N 448.946 6.618 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)c1cnc(C)cn1 2331328714 CKPYUSTWVIFFCG-UHFFFAOYSA-N 442.515 5.254 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(-c3ccccc3)cc2)cc1 2331351662 NAVULPWHZYGCNE-UHFFFAOYSA-N 448.518 6.786 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(OC)ccc2OC)cc(Cl)c1OC(=O)C(C)(C)C 2331389342 UWOVWGORASSITH-UHFFFAOYSA-N 446.927 5.604 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(F)c3)cc2Cl)cc1 2331455928 WWRLEDVRRQSLIM-UHFFFAOYSA-N 438.882 6.165 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc(O)cc1 2331472272 FESWMGDUVMXGDJ-UHFFFAOYSA-N 435.380 5.664 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(F)c3)cc2[N+](=O)[O-])c1 2331562402 WPYMRPGWPHQVAF-UHFFFAOYSA-N 437.398 5.605 30 10 IKEE COc1cc(C(=O)C=Cc2ccc(OC(=O)CCCSC)cc2)c(OC)cc1Cl 2331687509 VXQBIODDHWUTRF-UHFFFAOYSA-N 434.941 5.302 30 10 IKEE COc1cc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2)cc(OC)c1OC 2331704662 RENWSZDOIOFFFH-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(Nc2cccc(NC(=O)OC(C)(C)C)c2C)n1 2337024727 FSMMFXGGQJURLT-UHFFFAOYSA-N 439.365 5.088 30 10 IKEE C[C@H](CCCN(C)C(=O)OC(C)(C)C)Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339576036 CWGPBUDHPGOPAQ-LGHUBQEGSA-N 445.413 5.174 30 10 IKEE COc1ccc(Br)cc1C(=O)C=Cc1ccc(NC(=O)OC(C)(C)C)cc1 2364649676 KVUWWGKQFIBVJC-UHFFFAOYSA-N 432.314 5.701 30 10 IKEE O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@H](c1ccccc1Cl)n1c(nc3ccccc31)N2 19639371 BWXHKNBEDGYJPW-LMKMVOKYSA-N 443.909 6.245 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(O[C@@H](C)CC)cc2)cc1 21228276 FKQYBTOOMGJBKI-XTQVGHSUSA-N 433.548 5.267 30 10 IKEE O=C1C[C@H](c2c(F)cccc2Cl)C2=C(C[C@H](c3ccc(Cl)c(Cl)c3)CC2=O)N1 21231392 NGEPVFHGPBBAMI-NWDGAFQWSA-N 438.713 5.790 30 10 IKEE CCC(C)(C)[C@@H]1C/C(=C\c2cc(C#N)n(C)c2C)c2nc3ccccc3c(C(=O)O)c2C1 32642175 MRWPCWXVFOXYEM-WAGPWIPHSA-N 427.548 5.991 30 10 IKEE C=CCOc1c(Cl)cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OC 33349268 UOGUPGAITPLEMD-WOJGMQOQSA-N 433.888 5.289 30 10 IKEE O=C(/C=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccc(-c2ccccc2Cl)o1 33568002 ZCOHPNQZZPTUIZ-CSKARUKUSA-N 442.820 7.775 30 10 IKEE CCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2C)S/C1=N\[C@H](C)c1ccccc1 35126376 MADKRYSQLQJOKH-CXELOHLPSA-N 425.579 5.119 30 10 IKEE C=CCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2[C@H]1c1ccc(OCCCCC)cc1 38592939 IJSFRDXXYFSCQO-XMMPIXPASA-N 431.532 5.710 30 10 IKEE COc1ccc(CCN/C(C)=C\N=C2\N=C(Nc3ccc(F)c(Cl)c3)S2)c(OC)c1 58976282 BHKZTZHXKMZDFZ-SEYXRHQNSA-N 448.951 5.061 30 10 IKEE CCCCCCCCCCCn1c([C@@H](C)NC(=O)c2ccccc2OC)nc2ccccc21 102116006 QHAKJFRHSKDTCS-JOCHJYFZSA-N 449.639 7.067 30 10 IKEE C=C(C/C=C(\C)CCC=C(C)C)/C(C[C@@H]1c2c(cc3c(c2OC)OCO3)CCN1C)=N/O 104004702 KUNNXNOAUCFJRF-WGTDEJCMSA-N 440.584 5.812 30 10 IKEE CCc1nc2scc(-c3ccc(Cl)c(Cl)c3)c2c(=O)n1Cc1cccc(C#N)c1 169904035 GECIUWQNJCLCTH-UHFFFAOYSA-N 440.355 5.914 30 10 IKEE CCCCCCCCCOc1ccc([C@H]2NN=C3C4CCN(CC4)[C@H]32)cc1Br 169940097 DMYCURPCKZGTRM-DHIUTWEWSA-N 448.449 5.673 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccc(O)cc2)c(C)c1 169958789 YTNRXSTYYHANPP-XMMPIXPASA-N 443.499 5.109 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(OCC)c1 169974426 GXPKXXIBMXEVAE-NRFANRHFSA-N 443.927 5.213 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@H]2c2ccccn2)cc1 169992269 OLCJMANPGGPLSV-QHCPKHFHSA-N 426.516 5.470 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(Cl)cc2)cc1 170056816 LIMWSSFWADYUEY-FQEVSTJZSA-N 439.920 5.189 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2cccc(O)c2)c1 170080984 WDFPJZSKTSXGGB-QFIPXVFZSA-N 449.890 5.227 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccc(O)cc2)cc1 170132995 QJBDLGXYZBKFFM-DEOSSOPVSA-N 443.499 5.271 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(OC)ccc3OC)[C@H]2c2cccs2)cc1 170156858 VHRFAVVYSVMHRC-JOCHJYFZSA-N 449.528 5.111 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2cccs2)cc1 170157077 HUUJITSYDZKNEC-QHCPKHFHSA-N 445.540 5.418 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccncc1)c1cccc2ccccc12 170198206 KUCUPXGHESXWGE-JOCHJYFZSA-N 426.497 5.075 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@H]1c1ccc(OCC)cc1 170213520 KFQMQPZIBNNLCF-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1c[nH]c2ccccc12)c1cccc(Cl)c1 170254220 YYHXDMPMZCKQAW-JOCHJYFZSA-N 428.875 5.604 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@H]1c1c[nH]c2ccccc12 170256201 HPTMPZCWNZQXCH-XMMPIXPASA-N 444.531 5.261 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2cccc(O)c2)cc1C 170257915 GHYCORIIZCQPRT-HSZRJFAPSA-N 447.462 5.021 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccc(O)c1)c1cc2cc(Cl)ccc2o1 170260737 QWKUTDNSUHXPEF-NRFANRHFSA-N 449.846 5.163 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccco2)cc1C(C)C 170293111 DUWAZGXOAVTMGO-QHCPKHFHSA-N 437.536 5.713 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccc(C)o2)cc1C 170303237 JQAHNUACCKSWQX-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@@H]1c1ccc(C)o1 170309826 LACDRGZDLDNZDV-QFIPXVFZSA-N 439.552 5.663 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2sccc2C)c1 170319541 DFHXVPMUWGJDHO-FQEVSTJZSA-N 425.550 5.366 30 10 IKEE CC(C)OC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)cc1 170372359 DMNCPSOFJNQCID-HSZRJFAPSA-N 441.483 5.035 30 10 IKEE CCCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccccc2)cc1 170373563 WFPDIVPRMWKNIY-OAQYLSRUSA-N 447.512 5.098 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Cl)c(Cl)c2)c1 170388218 VFIVPRFPIHNNPT-OAQYLSRUSA-N 438.310 6.085 30 10 IKEE CCCCCCCCCCOc1ccc(CCN)cc1OCCCCCCCCCC 248272829 QWQNSSVMSLQVGH-UHFFFAOYSA-N 433.721 8.227 30 10 IKEE CCN1/C(=C2/SC(=Nc3cccc(C)c3)N(C3CCCCC3)C2=O)Sc2ccccc21 254293019 DPUUKHIHTTXBCO-VUQCETKJSA-N 449.645 6.692 30 10 IKEE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2cccc(C#N)c2)[C@H]1c1ccc(F)cc1 526519468 BEHNPRRXXCYXOS-QHCPKHFHSA-N 444.462 5.162 30 10 IKEE Cc1ccsc1[C@@H]1C(c2ccc(Cl)c(Cl)c2)=C(O)C(=O)N1c1cccc(C#N)c1 526521247 LKOCNSRRGMGPQZ-IBGZPJMESA-N 441.339 6.292 30 10 IKEE N#Cc1cccc(NC2=C(Sc3ccc(Cl)cc3)C(=O)N(c3ccccc3F)C2=O)c1 526664245 GFYOOLBNHMSNJH-UHFFFAOYSA-N 449.894 5.340 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccccc2C)c1 526809173 WWTHFNTYUUFELB-IMRQLAEWSA-N 426.589 5.855 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccc(Cl)cc1Cl 526816583 KJYMSPSQTLATNJ-KSEXSDGBSA-N 439.799 6.365 30 10 IKEE C[C@@H]1CCCC[C@H]1N(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(Br)cc1 586126441 OREPHEOBISGCLS-IIBYNOLFSA-N 447.398 5.090 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@](C)(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 698377760 VDOASGPMOLWTPA-DVECYGJZSA-N 429.561 5.105 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@](C)(C#N)COc1ccccc1 698486782 CGVYKSWYMWMXHM-OAQYLSRUSA-N 431.330 5.552 30 10 IKEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@H](C#N)c1cc(Cl)ccc1Br 698831787 YGHSUZBHAYVYQI-GFCCVEGCSA-N 427.648 5.467 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@]1(C#N)CCc2cc(Br)ccc21 698852889 SWLQZKBSRPVUDK-NRFANRHFSA-N 431.305 5.695 30 10 IKEE C[C@@H]1CCCC[C@@H]1NC(=S)/C(=C(/O)c1ccc(C#N)cc1)[n+]1ccc2c(c1)CCCC2 762439024 CMLLAYJBFJKDKG-JPYJTQIMSA-O 432.613 5.104 30 10 IKEE C[C@@H]1CC[C@]2(/N=C/c3ccccc3O)Oc3ccccc3[C@H](/N=C\c3ccccc3O)[C@@H]2C1 1084061982 OWYKDRRRWCDWCE-SYWHQOMJSA-N 440.543 5.902 30 10 IKEE CC(/C=C/c1ccccc1)=NNc1nc(SCC(=O)Nc2cccc3ccccc23)n[nH]1 1084138969 OPCWAIRDTYGLFY-YVGNUJAISA-N 442.548 5.190 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=Nc1ccccn1 1772731754 PUBYNPMWRJMYJU-KDFQCDEHSA-N 432.461 5.040 30 10 IKEE C=CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=Nc1ccncc1Cl 1772734464 DQPZDDKIHHDHLM-OXMFYWCOSA-N 434.746 5.288 30 10 IKEE O=C1/C(=C\c2cccs2)SC(=Nc2nc(-c3ccccc3)cs2)N1c1ccccc1 1772739465 UFNGQDCODMTXLU-SKYIDQJDSA-N 445.594 6.680 30 10 IKEE Cc1ccccc1/C=C1/SC(=NN=Cc2ccc(Cl)cc2)N(Cc2ccco2)C1=O 1772758531 XWSIPQHPGJUCKC-PFZYSIKNSA-N 435.936 5.748 30 10 IKEE S=C(N/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1)Nc1ccc(Cl)cc1 1857811522 SZJRLNVDQHZMOM-MYYYXRDXSA-N 431.952 5.513 30 10 IKEE CCCCCCCCCCn1ccc(=O)c(OCc2cccc(C(=O)OCCC)c2)c1 1860774811 PGKIMAXLECRXOY-UHFFFAOYSA-N 427.585 6.135 30 10 IKEE CCCCCCCCNC(=O)[C@@H](NC(=O)c1ccccc1Br)[C@@H](C)CC 1861025175 JGVHGJLGZCRFCT-LPHOPBHVSA-N 425.411 5.070 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)CCc1ccc(C)c(C)c1)[C@@H](C)CC 1861094645 DFSUTNQPSXAUFP-HFZDXXHNSA-N 430.677 6.024 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 1862398368 XFHKAKAAFUMLEV-RUZDIDTESA-N 447.619 6.561 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccccc2)cc1 1862433497 DEEBRAHIMSXGMR-QHCPKHFHSA-N 447.918 5.517 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862476933 GOMQCDUFINKUAI-RXFWQSSRSA-N 439.555 6.458 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccccc2C)c1 1862490617 ZRMCFBQWCYMSFE-VWLOTQADSA-N 425.528 5.699 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCc2cccs2)c1 1862508177 YIUFVTQQQYLVNV-QFIPXVFZSA-N 435.520 5.325 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccccc1Cl 1862559963 AQHTZWHAODYJAA-NYHFZMIOSA-N 432.907 5.262 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)c1 1862614089 XMYWEXKTAWRTQB-JTHBVZDNSA-N 433.548 5.050 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2[C@@H](C)CC)c1 1862622906 PHKPYKNANXFGBE-MHECFPHRSA-N 449.591 6.150 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2[C@@H](C)c2ccccc2)c1 1862648785 JTDIZHUERWJEKI-DCFHFQCYSA-N 447.534 6.488 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc(O)c(O)c2)cc1 1862664423 ZUWFINIEGIQETO-LZBHBKQYSA-N 449.547 5.378 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(O)cc1 1862698572 KECHOETUGRKJDB-HSZRJFAPSA-N 437.536 5.340 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCCc3ccccc3)[C@H]2c2ccccc2)c1 1862699373 UCPZSMZKFBFNKY-VWLOTQADSA-N 441.527 5.296 30 10 IKEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@H]2c2ccccc2F)cc1 1862732795 LMYNAZYJXCICGH-QHCPKHFHSA-N 439.527 5.773 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCC2=CCCCC2)c1 1862747863 WKZLHMUQKXPBGH-QHCPKHFHSA-N 446.503 5.372 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(F)c(C)c3)C2=O)c1 1863086165 KUOTYFXGVFGIOL-UHFFFAOYSA-N 425.463 5.019 30 10 IKEE N#Cc1cccc(N2C(=O)C(Nc3ccc(Cl)cc3Cl)=C(c3cccs3)C2=O)c1 1863113425 RNOFZHOCLVLKLJ-UHFFFAOYSA-N 440.311 5.323 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(OC)c2)=C(c2ccc(F)cc2F)C1=O 1863306412 AQCVVOMAWJPKHS-UHFFFAOYSA-N 442.506 5.526 30 10 IKEE CCCCCCCCN1C(=O)C(NCCN(CC)CC)=C(c2cccc3ccccc23)C1=O 1863583553 CHADDMMJCCRSKM-UHFFFAOYSA-N 449.639 5.212 30 10 IKEE Cc1ccccc1-c1ccc2[nH]c(C(=O)Nc3sc4c(c3C#N)CCCC4)cc(=O)c2c1 1866563847 OZLXSCHKMMJPHN-UHFFFAOYSA-N 439.540 5.568 30 10 IKEE CC(C)[C@@H](CC(=O)N[C@H](C(=O)Nc1cccc(C#N)c1)c1ccccc1)c1ccc(F)cc1 1866748474 IMNAWTRWVMLZQI-RSXGOPAZSA-N 443.522 5.323 30 10 IKEE CCCC[C@@H](NC(=O)[C@@H](c1ccc(OC)cc1)C1CCCC1)C(=O)Nc1ccc(C#N)cc1 1867011734 OWHJWPVIGOUVOQ-JWQCQUIFSA-N 447.579 5.154 30 10 IKEE CC(C)c1nc(Nc2ccccc2C#N)cc(N2CCCc3ccc(N4CCCC4)cc32)n1 1868238230 MDWUPECLKAUKBW-UHFFFAOYSA-N 438.579 5.900 30 10 IKEE Cc1ccc(C)c2c1C[C@@H](C)CN2c1cc(Nc2cccc(C#N)c2)nc(-c2ccccc2)n1 1868355060 XIAVNPIKTDOXHQ-LJQANCHMSA-N 445.570 6.706 30 10 IKEE C=CCn1cc(OCc2ccc([N+](=O)[O-])cc2)c(=O)cc1CSc1ccc(Cl)cc1 1870190230 ILVTUTKHKYLMAR-UHFFFAOYSA-N 442.924 5.467 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCC(C)CC1 1870349392 MEKPONSAOULTJI-UHFFFAOYSA-N 449.639 5.891 30 10 IKEE CCCCCCCCCCn1cc(OCCO)c(=O)cc1CN(CCCC)CCCC 1870367693 WRMXWLBJOZTISW-UHFFFAOYSA-N 436.681 5.762 30 10 IKEE CCCCCCCOc1cn(CCC(C)C)c(CN(CCO)Cc2ccccc2)cc1=O 1870411020 PUQYHYZEUDHDDH-UHFFFAOYSA-N 442.644 5.238 30 10 IKEE CCCCCCCCCCn1cc(OCC)c(=O)cc1CNc1cc(Cl)ccc1C 1870785920 YNJILRGXRMWQQO-UHFFFAOYSA-N 433.036 6.962 30 10 IKEE C=CCOc1cn(CCc2ccc(OC)cc2)c(CNc2cccc(Cl)c2C)cc1=O 1870810951 ZPBHTLAVKSCOJX-UHFFFAOYSA-N 438.955 5.238 30 10 IKEE C=CCOc1cn(CCCCCCCCCC)c(CNc2ccc(OC)cc2C)cc1=O 1870812921 OEWADUJVMBVCFJ-UHFFFAOYSA-N 440.628 6.483 30 10 IKEE C=CCn1cc(OCc2c(C)cccc2C)c(=O)cc1CNc1ccc(CC)c([N+](=O)[O-])c1 1870920481 QIRKNVQZTKNKKT-UHFFFAOYSA-N 447.535 5.313 30 10 IKEE C=CCn1cc(OCCCCOc2ccc(C)cc2)c(=O)cc1CNc1cccc(F)c1 1871226589 XYZARBGZZCADSJ-UHFFFAOYSA-N 436.527 5.332 30 10 IKEE Cc1ccc(CCN2COc3c(cc4c(c3C)O/C(=C\c3cccc(Cl)c3)C4=O)C2)cc1 1871359723 XXVGDWFTZFWKDG-CFRMEGHHSA-N 445.946 5.968 30 10 IKEE Cc1c(OC(=O)CCc2ccccc2)ccc2c1O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871385830 OPGHPMRALASUOY-UQQQWYQISA-N 426.512 6.273 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccn2)C3=O)c(OCC)c1 1871386698 IIZLPELJNOWNMK-UCQKPKSFSA-N 445.471 5.023 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)CCc4cccs4)cc(C)c3C2=O)cc1 1871392050 NAXMYCKGKZJSDU-HMAPJEAMSA-N 434.513 5.610 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCCCCOc4ccc(C)cc4)cc(C)c3C2=O)cc1 1871404358 JUVTZDRXHPXHOF-ONUIUJJFSA-N 444.527 6.166 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCCOc3cccc(C)c3)cc(C)c2C1=O 1871405188 AAUJYBGTKIYKBC-XYGWBWBKSA-N 430.500 5.776 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)c1 1871410733 BCKKPPYNKWDFKA-GHRPQRKGSA-N 447.918 5.979 30 10 IKEE COc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1sccc1C)C2=O 1871412178 VWXCGIZBAOYEEK-RDPIHGLISA-N 449.528 5.396 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(O[C@H](C)C(=O)Nc3cccc(C)c3C)c2C)C1=O 1871413464 HJAXSIHYAYRLPN-UQEONJGVSA-N 441.527 5.942 30 10 IKEE CCCCCCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(N(C)C)cc1)C2=O 1871422414 ZPJBWYGJPXCGCT-HAHDFKILSA-N 437.536 5.180 30 10 IKEE CCCC[C@@H](Oc1cc(C)c2c(c1)O/C(=C\c1ccccc1Br)C2=O)C(=O)O 1871423637 VUWVBOHPRGQKDP-HPKGMJOESA-N 445.309 5.396 30 10 IKEE CCCCCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1cn(CC)c3ccccc13)C2=O 1871427153 QNSKIMMCALOMAD-OYKKKHCWSA-N 447.531 5.698 30 10 IKEE Cc1c(OCCC(=O)OCCC(C)C)ccc2c1O/C(=C\c1ccccc1Cl)C2=O 1871428966 CFJQZKMYARVQQE-STZFKDTASA-N 428.912 5.623 30 10 IKEE COc1ccc(CCOc2ccc3c(c2C)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)cc1 1871448336 PGPKMNOSPMNAJB-HAHDFKILSA-N 431.444 5.150 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)CCC 1871857420 TURUBZHVJHIWKW-HSZRJFAPSA-N 444.597 5.204 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1cccs1 1871895397 RYSLZXKHCROKFN-HXUWFJFHSA-N 434.627 5.129 30 10 IKEE CC(C)Oc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 1872762754 VZKFYAGMLWUOJO-GOSISDBHSA-N 445.371 6.323 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(OC)cc3OC)n2)cc1 1872770395 RWAWRQSWUIDQSO-HXUWFJFHSA-N 436.533 5.035 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)c3c(F)cccc3Cl)n2)cc1C(C)C 1872779194 DJKYPYFCONJXOW-MRXNPFEDSA-N 442.943 6.533 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(Nc2cccc(C#N)c2)=C(c2cc(F)cc(F)c2)C1=O 1873316758 KSOBVSCFNTXPLS-NRFANRHFSA-N 437.490 5.387 30 10 IKEE FC(F)(F)c1nnc(S)n1/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 1873499804 PGEIIIAWKCGYKM-LIMNOBDPSA-N 447.269 5.354 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C)c2C)cc2c(NCCC3=CCCCC3)ncnc21 1873639473 VCOMVHWILSBLSS-UHFFFAOYSA-N 429.568 5.789 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccccc3C)n2/N=C/c2ccncc2)CC1 1874285524 KTZROBFKADRTMN-MTDXEUNCSA-N 447.652 6.620 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(OC)cc2)n1/N=C/c1cccc2ccccc12 1874292286 VXOIAMDGDXKNQW-CVKSISIWSA-N 444.560 5.569 30 10 IKEE C=CCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874342805 JZXCHQVCOYFCLZ-DHRITJCHSA-N 436.890 5.701 30 10 IKEE COc1ccc(Cc2nnc(SCc3cc(C)ccc3C)n2/N=C/c2ccncc2)cc1 1874349639 WROAZRFVDFJTOV-JVWAILMASA-N 443.576 5.064 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCC)nnc2-c2ccccc2Cl)cc1OCC 1874366772 SZISZMRUJGODSV-BUVRLJJBSA-N 444.988 5.780 30 10 IKEE Cc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccc(Cl)cc2)cc1 1874419070 WVHYCVGXONYDFG-WGOQTCKBSA-N 432.980 6.005 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCc3ccccc3C)nnc2C2CCCC2)cc1 1874452064 BUOMSGCIJFUZES-OVVQPSECSA-N 447.652 6.265 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(O)c(OCC)c1 1874477978 MVXOXGZILWPZSA-ZVHZXABRSA-N 428.533 5.039 30 10 IKEE CCCc1nnc(SCc2cccc(F)c2)n1/N=C/c1cc(Br)ccc1O 1874503476 JHCHQZJVUXZQDW-SSDVNMTOSA-N 449.349 5.012 30 10 IKEE CN(C)c1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CC2)cc1 1874520711 MFGOXCRTINFACM-WGOQTCKBSA-N 427.577 5.549 30 10 IKEE O=[N+]([O-])c1cc(/C=N/n2cnnc2SCc2ccc(Cl)cc2Cl)ccc1Cl 1874539895 COHNMXWNGPMWET-QPSGOUHRSA-N 442.715 5.321 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(Cl)cc2)c1OCc1ccc(F)cc1 1874578398 LZUOPHWPYFNKTR-IZZDOVSWSA-N 431.290 6.616 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C)cc2C)c1OCC(=O)Nc1ccc(C)cc1C 1874579039 TXNVHHSXPHXWQD-SDNWHVSQSA-N 443.543 5.842 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCc2ccc(F)cc2)cc1F 1874582322 IUBZPYWQIPYWBE-WEVVVXLNSA-N 444.861 6.111 30 10 IKEE Cc1ccc(C)c(COc2ccccc2/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)c1 1874584869 GPBGLKYUUQBXLS-KNTRCKAVSA-N 434.535 7.571 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OCC(=O)Nc1ccc(C)c(C)c1 1874595755 BTXYRSXMQUJMNG-IZZDOVSWSA-N 447.506 5.673 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)c1 1874605009 OBAJPAAXCVPWJB-ZHACJKMWSA-N 443.326 6.486 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3cccc(OC)c3)cc2OC)cc1 1874605933 MZBDRXHKSXKFHW-GXDHUFHOSA-N 445.515 5.180 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OCC(=O)NCc1ccccc1 1874614475 IOHOLTWIRAJOTC-BUHFOSPRSA-N 449.934 5.330 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OCC(=O)Nc1ccc(C)c(C)c1 1874617567 IIQCVJORBDRQEG-XYOKQWHBSA-N 443.543 5.842 30 10 IKEE C=CCOc1c(Br)cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1OCC 1874630885 ZLKBHBWVUQJIKE-CMDGGOBGSA-N 445.353 5.934 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCCc3ccccc3)c([N+](=O)[O-])c2)c(OC)c1 1874632811 WAAXDLRNKAILNV-XYOKQWHBSA-N 433.460 5.130 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1OC(=O)c1ccccc1F 1874692734 VKHZECMYJYVEAZ-GXDHUFHOSA-N 426.443 6.103 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(-c4ccccc4)cc3)c2)c(C)c1 1874702138 IWLSWITZVWSMKQ-LDADJPATSA-N 432.519 7.086 30 10 IKEE C=CCN(CC=C)CCC(=O)c1cccc(OC(=O)COc2ccc(Cl)cc2Cl)c1 1874733525 DSCCOSALUQZIFY-UHFFFAOYSA-N 448.346 5.225 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(OCC(C)C)cc2)CSc2nncn21 1874817769 UTHRGEDIGBXZDJ-NRFANRHFSA-N 430.618 5.375 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](C(C)(C)C)CSc2nnc(Cc3ccc(F)cc3)n21 1874988336 NHLIOSMKXHWDMG-HXUWFJFHSA-N 446.636 5.744 30 10 IKEE O=C(Cc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1Cl 1875096575 USYBXIDLMBFYHG-GXDHUFHOSA-N 426.899 6.537 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Br)c(OC(=O)C(C)(C)C)c(OC)c2)cc1 1875103326 TYGBAHPQUOXHTH-FMIVXFBMSA-N 445.353 5.868 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1[N+](=O)[O-])c1cccc(Cl)c1 1875113514 LAHQFRGDNCSTMA-CSKARUKUSA-N 442.254 6.017 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)c1cccc(Br)c1 1875114777 VFPHGSBJQWBFEJ-AWNIVKPZSA-N 441.708 6.218 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(OC)c1OC(=O)c1ccccc1F 1875115320 YDMRAHSVCFKZAH-XNTDXEJSSA-N 446.474 5.687 30 10 IKEE Cc1nc2ccc(C(=O)Oc3ccc(/C=C/C(=O)c4ccc(F)cc4F)cc3)cc2nc1C 1875120229 IVUYVYINZFPBSN-LFYBBSHMSA-N 444.437 5.640 30 10 IKEE CCCCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccc(C)cc2)cc1OCC 1875137160 ZCQBYBONVBAILS-JLHYYAGUSA-N 445.353 6.148 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)c1cc(C)cc(C)c1 1875141146 PVEUEBAEUBSNQY-RMKNXTFCSA-N 448.490 5.883 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(C)c3)cc2OC)cc1 1875142634 MJKKZXOTZAUHCF-WUXMJOGZSA-N 434.463 5.196 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)cc3OC)cc2)c1 1875178325 DUVZQBSBQHWVDT-XNTDXEJSSA-N 432.472 5.218 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@H](CNC(=O)OC(C)(C)C)CC1CCCCC1 1922087246 XHEGBTSOJJRXDA-JWQCQUIFSA-N 444.660 5.849 30 10 IKEE C#Cc1cccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)(C)C(=O)O)c1 1951836299 MCBHIIDIXGHPHJ-RUZDIDTESA-N 439.511 5.359 30 10 IKEE CC(C)N[C@@]1(C#N)CCC[C@H]1CCN(CCN(C)Cc1ccccc1)Cc1ccccc1 2034739705 PADGUUMVLZASHN-WUFINQPMSA-N 432.656 5.071 30 10 IKEE C=CCN(C[C@H](NCC)c1ccc(Cl)c(Br)c1F)C(=O)OC(C)(C)C 2035956970 ZUFIJLVNJSOHIE-AWEZNQCLSA-N 435.765 5.315 30 10 IKEE COC(=O)c1ccc(COc2ccccc2C=C2CCc3cc(OC)ccc3C2=O)cc1 2040457809 ADHNONUXLDJNOE-UHFFFAOYSA-N 428.484 5.273 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2077947302 FPZNNJFLCDSBMM-UYAOXDASSA-N 443.588 5.664 30 10 IKEE COC(=O)c1c(C(C)(C)C)nn(Cc2ccc(F)c(C(F)(F)F)c2)c1C(F)(F)F 2079026258 YLQPXSXIKMKHDQ-UHFFFAOYSA-N 426.332 5.192 30 10 IKEE N#Cc1c(C2CCC2)nn([C@@H](c2ccc(C3CC3)cc2)C2CC2)c1I 2079036285 SWPHARKIUICFFN-FQEVSTJZSA-N 443.332 5.504 30 10 IKEE C[C@@H](c1ccc(C(F)(F)F)cc1)n1nc(C2CCC2)c(C#N)c1I 2079881568 WALMQZXNSWEBCT-JTQLQIEISA-N 445.226 5.255 30 10 IKEE CC(C)(C)c1nn([C@@H](c2ccc(C(F)(F)F)cc2F)C2CC2)c(Br)c1C#N 2079950496 GDKOBVAAEZNMDB-OAHLLOKOSA-N 444.270 5.972 30 10 IKEE CC(C)c1c(C(F)(F)F)nn2c(Cl)cc(-c3ccc(F)cc3C(F)(F)F)nc12 2081323153 FELOCDFXJQMOMG-UHFFFAOYSA-N 425.735 6.350 30 10 IKEE CCN[C@@H](C#CC(C)(C)C)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2218443624 OWDSENFLJHFFME-SANMLTNESA-N 427.588 6.545 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)C[C@@H](CC(C)C)NC(=O)OC(C)(C)C 2235731393 PYYUJRHRRPDPST-RTBURBONSA-N 437.422 5.108 30 10 IKEE CC1(C)OB(c2cccc(Cl)c2C(=O)N(Cc2ccccc2)CC2CCC2)OC1(C)C 2255810033 HBILHEJLOUOKLY-UHFFFAOYSA-N 439.792 5.082 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCC(=O)O)c1c(Cl)cccc1Br 2262209073 VJPXPXFTWMAQSA-LJQANCHMSA-N 425.706 5.018 30 10 IKEE C=CCN(CC[C@H](NCCC)c1cccc(Cl)c1Br)C(=O)OC(C)(C)C 2272013456 GSUBBJBHUJBQIM-KRWDZBQOSA-N 445.829 5.956 30 10 IKEE CCN[C@@H](CC#CC1CCCC1)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2289851195 CWPXCWNTHSQJNU-IBGZPJMESA-N 435.406 6.030 30 10 IKEE C=CCN1C(=O)C(=Cc2ccccc2OCc2ccc(Cl)c(Cl)c2)SC1=S 2293500564 FMCNZGJMNDMYCL-UHFFFAOYSA-N 436.385 5.960 30 10 IKEE Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(Cl)cc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 2296215349 DRKMWZBPSIYESD-OAQYLSRUSA-N 448.862 5.183 30 10 IKEE CCOc1cccc(C=C2Oc3cc(OC)ccc3C2=O)c1OC(=O)c1ccc(C)cc1 2314527193 JJHHKZWNSPNIHX-UHFFFAOYSA-N 430.456 5.238 30 10 IKEE O=C1C(=Cc2ccc([N+](=O)[O-])cc2)SC(=Nc2ccncc2Cl)N1c1ccccc1 2314542914 QGTYZQSWVWICPN-UHFFFAOYSA-N 436.880 5.452 30 10 IKEE CC(C=NN=C1SC(=Cc2ccc(F)cc2)C(=O)N1Cc1ccco1)=Cc1ccccc1 2314840837 DFZATLBSPNDLAM-UHFFFAOYSA-N 445.519 5.981 30 10 IKEE Cc1ccc(COc2ccccc2C=Nn2cnnc2SCc2cc(C)ccc2C)cc1 2318571549 NCGZQKMINDGEQA-UHFFFAOYSA-N 442.588 5.957 30 10 IKEE CCOc1cc(C=NNc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1Cl 2321720176 ZJUOWXOTIKVONS-UHFFFAOYSA-N 449.765 7.071 30 10 IKEE CCCCC[C@@H](CC)N1COc2ccc3c(c2C1)OC(=Cc1ccc(OCC)cc1)C3=O 2322071813 RBKVBFCTKSHRCN-HXUWFJFHSA-N 435.564 6.212 30 10 IKEE CCCCC[C@@H](CC)N1COc2c(cc3c(c2C)OC(=Cc2cccc(OC)c2)C3=O)C1 2322356781 SAHPLSOISKKBBQ-OAQYLSRUSA-N 435.564 6.131 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)c1 2322371967 MGUNBDUFPXPBPR-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(C(C)C)cc1)C3=O)CN([C@H]1CCCC[C@H]1C)CO2 2322391790 LCRIFPUGZIUUFC-KOSHJBKYSA-N 431.576 6.465 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccccc2Cl)c1OCc1cc(C)ccc1C 2322436793 YHWNFQAPCUZZHP-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(F)cc2F)c1OCc1c(Cl)cccc1Cl 2322502618 SAHUODXRHOWSOV-UHFFFAOYSA-N 449.280 6.755 30 10 IKEE COc1c(Br)cc(Br)cc1C=CC(=O)c1cccc2ccccc12 2322724483 DQQHUTCXJGNLHS-UHFFFAOYSA-N 446.138 6.270 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2cccc3ccccc23)c1OCc1ccc(C)cc1 2322724568 CGIVZIBSIDMGGA-UHFFFAOYSA-N 442.942 7.285 30 10 IKEE O=C(C=Cc1cccc(OCc2ccccc2Cl)c1)c1ccc(Oc2ccccc2)cc1 2323240142 GKSSGGBSEOBOGR-UHFFFAOYSA-N 440.926 7.607 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc([N+](=O)[O-])c1OCCCO 2323352734 LFCGJEKWJIBUJJ-UHFFFAOYSA-N 447.487 5.318 30 10 IKEE CCCOc1c(Cl)cc(C=NNc2nc(-c3cccc(OC)c3)cs2)cc1OCC 2323840540 OVQZPJQMFBIJTN-UHFFFAOYSA-N 445.972 6.106 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Cl)c1OCc1ccc(F)cc1 2323953049 NIAVEWOECJBPMW-UHFFFAOYSA-N 438.926 6.970 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc([N+](=O)[O-])c1OCCc1ccccc1 2323959201 UMRNDZVPVJWAPH-UHFFFAOYSA-N 445.515 6.128 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OCc1ccccc1F 2324272394 HGKDTRMHAYZEEF-UHFFFAOYSA-N 448.534 6.750 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccco1)C2=O 2324345606 JRTSTVQDUHHSNG-QGZVFWFLSA-N 431.488 5.481 30 10 IKEE CCc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(Cl)cc3Cl)n2)cc1 2324378474 JVPZKWRDEJTUSU-SFHVURJKSA-N 427.356 6.569 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OCc2cccc(F)c2)c(Cl)c1 2324573996 ALYISFLRTYSEHF-UHFFFAOYSA-N 436.954 7.560 30 10 IKEE CCOc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc1OC 2324756621 VGFYZCLPMMVNAS-HXUWFJFHSA-N 432.545 5.724 30 10 IKEE CC(C)(C)c1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1 2324817295 MKZQKHSJGWQFNF-MRXNPFEDSA-N 426.994 6.712 30 10 IKEE Cc1c(OCCOc2ccccc2F)ccc2c1OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2324857798 RXYMRNNXHBDZIG-UHFFFAOYSA-N 435.407 5.116 30 10 IKEE CCCCCOC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2325045085 ORXNEHPGEDWZSZ-UHFFFAOYSA-N 449.330 6.030 30 10 IKEE CCOC(=O)c1ccc(COc2ccc3c(c2C)OC(=Cc2ccccc2OCC)C3=O)o1 2325402286 DLXDBIMSNYWJDS-UHFFFAOYSA-N 448.471 5.359 30 10 IKEE Clc1ccccc1C=Nn1c(CCc2ccccc2)nnc1SCc1ccccc1 2325448556 YLWVABSBTAFXFM-UHFFFAOYSA-N 432.980 5.891 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc(OC)cc1 2325571668 CWTZIIGMMFMAIZ-UHFFFAOYSA-N 435.380 5.721 30 10 IKEE O=C(CSc1ccccc1)Oc1cccc(C=CC(=O)c2ccc3c(c2)CCCC3)c1 2325702194 GUPDQMCMSGXEHT-UHFFFAOYSA-N 428.553 6.159 30 10 IKEE CCOc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2cccc(C)c2)C3=O)cc1 2325705328 PNHFNGAXZBAMAN-UHFFFAOYSA-N 443.499 5.336 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(C)cc3C)c2)c(OC)c1 2325736116 YDXLLORDVOPJJN-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE Cc1cc(OCC(=O)Nc2ccccc2F)cc2c1C(=O)C(=CC=Cc1ccccc1)O2 2325739554 VGYOBSITAYCIKW-UHFFFAOYSA-N 429.447 5.324 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2cccc(OC(=O)CCc3ccc(Cl)cc3)c2)c1C 2325756840 GVRVSJILINECBJ-UHFFFAOYSA-N 446.974 7.008 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1OC(=O)CC(C)C 2325766037 ULBUDXDMMQAQMH-UHFFFAOYSA-N 437.319 5.858 30 10 IKEE Cc1ccccc1CSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccco1 2327244816 IYSUNPRPFIOQPS-UHFFFAOYSA-N 446.576 5.858 30 10 IKEE C=C(C)CSc1nnc(COc2cccc(C)c2C)n1N=Cc1cccc(OCC)c1 2328846770 MMMXASFENSFCLY-UHFFFAOYSA-N 436.581 5.423 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3F)n2N=Cc2cc(C)ccc2O)cc1 2329992650 KBSHWHHLNNQIJH-UHFFFAOYSA-N 446.551 5.505 30 10 IKEE Cc1ccccc1CSc1nnc(CC2CCCCC2)n1N=Cc1ccccc1[N+](=O)[O-] 2330232441 NTZSZPHWEAZUER-UHFFFAOYSA-N 449.580 5.792 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2ccccc2Cl)cc1 2330653921 GOTHTBQVNIWESR-UHFFFAOYSA-N 449.923 5.681 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)Cc3ccccc3)c(OC)c2)cc1 2330737806 KQKDVFXMPGUANT-UHFFFAOYSA-N 434.919 5.955 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)C3CCC(CCCC)CC3)cc2)cc1 2330824701 SEDBGIHLZAIEGO-UHFFFAOYSA-N 446.631 7.827 30 10 IKEE COc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccccc2Cl)cc1 2330846597 QZOCIZMEYZZOFD-UHFFFAOYSA-N 428.989 5.703 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)C(F)(F)F)c(Br)c2)cc1C 2330863162 OPXXVRPGEVEKMT-UHFFFAOYSA-N 443.215 5.130 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1)c1ccc(-c2ccccc2)cc1 2330910428 CZZMSLGGXYMKEM-UHFFFAOYSA-N 438.910 7.122 30 10 IKEE Fc1ccccc1C=Nn1c(SCc2c(F)cccc2Cl)nnc1[C@H]1CCCO1 2331016357 YHHJOWPDLHTWEI-GOSISDBHSA-N 434.899 5.236 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)c(C)c3)c([N+](=O)[O-])c2)c(C)c1 2331225196 RFDYXQLPMPTCFN-UHFFFAOYSA-N 429.472 5.944 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cccc4ccccc34)c(Cl)c2)cc1 2331260054 IMPVUJMDZRALNY-UHFFFAOYSA-N 440.926 6.846 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)cc2)ccc1F 2331332833 SJFXRTHNTHNQSO-UHFFFAOYSA-N 448.450 5.224 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2ccc(Cl)cc2)c1 2331377144 OKMFPVQZLCYVGL-UHFFFAOYSA-N 441.988 5.150 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1Cl 2331472784 VBFKHOQYPFANBP-UHFFFAOYSA-N 426.899 6.917 30 10 IKEE CC(C)COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2)cc1 2331491825 PUCIXOFEOQGJTM-UHFFFAOYSA-N 442.555 6.960 30 10 IKEE CCCCCOc1ccc(C=Nn2c(COC)nnc2SCc2ccccc2F)cc1 2331577608 LQVUXBGWUJZDES-UHFFFAOYSA-N 442.560 5.307 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1N=Cc1ccccc1Cl 2331632253 NJYSXOPIZUNYDY-UHFFFAOYSA-N 441.988 5.114 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)CCc2ccccc2)cc1 2331753500 BMALPLIQPCWUJU-UHFFFAOYSA-N 434.919 6.091 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1Cl)c1cccnc1 2331860036 PEUJDTZLKCDRGN-UHFFFAOYSA-N 432.690 6.157 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H](Nc2cccc(Br)c2C#N)[C@H]1C(F)(F)F 2370174470 HNOJCZUETCLNEN-CABCVRRESA-N 448.283 5.063 30 10 IKEE O=C1c2cccc3cccc(c23)C(=O)N1c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1 1501755 XQIHDESFCGYBEX-OCSSWDANSA-N 442.474 6.250 30 10 IKEE C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@@](C)(F)C(C)(C)O)C[C@@H](O)C[C@@H]1O 3919564 NYQPKLHIAIIMRX-ABEKVIRTSA-N 446.647 5.819 30 10 IKEE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)Nc1cccc2ccccc12 14092545 CQJKNYDADCXWNR-UHFFFAOYSA-N 428.561 5.133 30 10 IKEE O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1cccc3ccccc13)n1c(nc3ccccc31)N2 19646340 DWZYNPOFZHVLRK-CLYVBNDRSA-N 447.563 6.667 30 10 IKEE COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(O)cc2)c1 21248938 SZGDCJMVPUWPOY-CRYYWNKWSA-N 442.515 5.389 30 10 IKEE CCO[C@@]1(c2ccccc2)Oc2ccccc2C(c2ccccc2)=C1C(=O)c1ccccc1 32286276 UAUAFLCFXLLLHQ-PMERELPUSA-N 432.519 6.653 30 10 IKEE CCO[C@]1(c2ccccc2)Oc2ccccc2C(c2ccccc2)=C1C(=O)c1ccccc1 32286277 UAUAFLCFXLLLHQ-SSEXGKCCSA-N 432.519 6.653 30 10 IKEE C#CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Br)c(Cl)c3)c2C)C1=O 33436568 POQHQOCAQWRJPI-MFOYZWKCSA-N 449.757 5.180 30 10 IKEE C=CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccccc2)cc1 39824805 GWWCTZSJNXCTAK-RUZDIDTESA-N 437.495 5.412 30 10 IKEE CCOc1cc(/C=C2\S/C(=N/c3nc(C)cs3)N(c3ccccc3)C2=O)ccc1O 39865522 PIWFJCNEPMWPIX-QLIPUSLZSA-N 437.546 5.364 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(C(C)(C)C)cc1 40096751 NXJCHIKTXINGCB-HSZRJFAPSA-N 449.547 5.134 30 10 IKEE Cc1cc(OC(=O)c2ccccc2F)cc2c1C(=O)/C(=C/c1cn(C)c3ccccc13)O2 41292542 ALQIETSMILMOFT-FMCGGJTJSA-N 427.431 5.461 30 10 IKEE Cc1ccc(C)c(COc2cc(C)c3c(c2)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)c1 41433633 DFUVPRIWZXDDCQ-YSMPRRRNSA-N 426.556 7.105 30 10 IKEE C=Cc1ccc(COc2cc(C)c3c(c2)O/C(=C\c2ccc(OC)cc2OC)C3=O)cc1 41504581 MCXOMXHQJBKYNK-MXAYSNPKSA-N 428.484 5.850 30 10 IKEE Cc1ccc(-c2cc(/N=C/c3cc(Br)ccc3O)n(Cc3ccccc3)n2)cc1 59391474 KSYAVXYCUSOMTF-CVKSISIWSA-N 446.348 6.126 30 10 IKEE C/C(=N/Nc1nc(Cl)c(Cl)cc1Cl)c1ccc(S(=O)(=O)C2CCCC2)cc1 83813239 GSLHEJVTWUKCFO-KSEXSDGBSA-N 446.787 5.594 30 10 IKEE CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(-n4c(C)ccc4C)cc3)c2C)cc1 100212142 AKQTXXPNLKVCEZ-RDRPBHBLSA-N 439.559 6.429 30 10 IKEE C=CCn1c(C)c(/C=C2\S/C(=N/c3cccc(C(=O)O)c3)N(CC)C2=O)c2ccccc21 100938193 JNDQFWLDXIIVGT-INCSMEFSSA-N 445.544 5.458 30 10 IKEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccccc2)cc1 102495655 NWZPFVLGNMYBSF-AGGMBTAESA-N 426.497 5.231 30 10 IKEE COc1ccc2c(c1)c(/C=C1\Oc3cc(OC(=O)c4ccccc4)ccc3C1=O)cn2C 102729249 MNFBGVXLSMDJHY-MSXFZWOLSA-N 425.440 5.022 30 10 IKEE Cc1ccc(/N=C2/C(=O)N(CN3CC[C@H](c4ccccc4)C3)c3ccccc32)cc1Cl 102781535 YJUSQGMRFGOKHB-PJKLNKOBSA-N 429.951 5.563 30 10 IKEE O=C1C=C(Cl)[C@H]2C=C(Nc3ccccc3)[C@H]3C(=O)C=C(Cl)c4cc(Cl)c1c2c43 103693174 DKTMGOWAHFWZTD-IPQOISQHSA-N 428.702 5.998 30 10 IKEE C=CCn1c(C(=O)NCCCCCCCCCCC(=O)O)c(C)c2cc(C(C)C)ccc21 169860512 ANYRNXZCHFQWFV-UHFFFAOYSA-N 440.628 6.584 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccc(F)cc2)cc1 169922024 OSXJYJHMJVHRKA-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccc2OC)cc1 169941792 KUACTUONQPRNFE-XMMPIXPASA-N 443.499 5.185 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccc(O)cc2)cc1 169958971 JOYMZLZKMOUEKL-XMMPIXPASA-N 443.499 5.191 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2ccncc2)cc1 170018783 UYESCCRNHLFQKT-QFIPXVFZSA-N 432.907 5.389 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccccc2C)cc1 170089261 YUKZDTVEYVOSDL-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(O)cc2)c1 170132636 GZVNYASBFUWCAU-XMMPIXPASA-N 443.499 5.210 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@@H]1c1cccc(C)c1 170147292 MFYIGGKBDWFQAL-FQEVSTJZSA-N 432.545 5.415 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2cccs2)c1 170156338 KHPRGIQIQURXHD-JOCHJYFZSA-N 431.513 5.083 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2cccs2)cc1 170161073 KJKAWQVRMGYUNB-HSZRJFAPSA-N 440.524 5.281 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccs2)cc1 170161090 IAEUNJRNWBHBDT-OAQYLSRUSA-N 426.453 5.149 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1ccc(O)c(Cl)c1 170220229 DJYDCBMRQSTABZ-NRFANRHFSA-N 443.927 5.130 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2)cc1 170223475 RFAKUBKOAIPMNR-XMMPIXPASA-N 445.490 5.643 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(C(C)C)cc1 170245875 ITQUSHJBGUCLAX-AREMUKBSSA-N 441.571 6.732 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 170246634 NFVODWYONHHCPP-IBGZPJMESA-N 434.319 5.299 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2F)cc1C(C)C 170250517 DEMVDCQSUSFADD-HSZRJFAPSA-N 449.478 5.329 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc(O)c1 170260695 HRRZMKSBTBWGNA-HSZRJFAPSA-N 445.515 5.370 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2C)cc1C 170272569 NWOJBSSRROZOKY-VWLOTQADSA-N 441.527 5.793 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(OCC(C)C)c2)=C(O)C(=O)N1C1CCCCC1 170275327 UUEUNSOBEQPXAS-RUZDIDTESA-N 447.575 5.941 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@H]1c1ccco1 170294770 WDZNUHBSHFHHHD-OAQYLSRUSA-N 425.525 5.354 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccc(C)o2)cc1C 170302187 NQNOFZNQKBOUGS-HSZRJFAPSA-N 431.488 5.305 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2sccc2C)ccc1Cl 170316204 OMKSXAQHUXNEGF-SFHVURJKSA-N 443.908 5.090 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1sccc1C 170318692 VVOQTDKGNYGHFJ-MRXNPFEDSA-N 434.355 5.197 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@@H]1c1sccc1C 170318873 NIQKTZWDTPSSSN-QGZVFWFLSA-N 433.957 5.405 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccco2)=C(O)C(=O)N1c1ccc(C(F)(F)F)cc1 170406332 KFQHOMHLNNDSMG-INIZCTEOSA-N 433.407 5.451 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@@H]1c1ccc(C(C)(C)C)cc1 170467734 YTERIVOYTCCVPX-HSZRJFAPSA-N 435.520 5.228 30 10 IKEE N#Cc1cc(Br)ccc1Nc1ccc(I)cc1Cl 232150818 YXAHSSYNPMOYFZ-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE CC(=O)C1=CC[C@@H]2[C@H]3CC[C@H]4C[C@H](OC(=O)CCN5CCCC5)CC[C@]4(C)[C@@H]3CC[C@]12C 252461171 LCHQKKCWNVVBHJ-GTKOSLATSA-N 441.656 5.552 30 10 IKEE O=C1/C(=C/c2ccc(Br)cc2)SC(=Nc2ccccc2)N1Cc1ccccc1 252621707 NFCGDKANQDHJRW-XOLKAKTPSA-N 449.373 6.253 30 10 IKEE CCCN1C(=O)/C(=C\c2ccc(Br)o2)SC1=Nc1ccc(OCC)cc1 252625502 QLLQUGNDJAOTRH-LPPQLWTJSA-N 435.343 5.455 30 10 IKEE C(=NNCN(Cc1ccccc1)Cc1ccccc1)c1c2ccccc2cc2ccccc12 254583102 LXKXEHBJUKMEFS-UHFFFAOYSA-N 429.567 6.576 30 10 IKEE Oc1ccccc1C=Nc1ccc2nc(SCc3ccc(F)c4ccccc34)sc2c1 254800489 JUQQJLPTVIOJRI-UHFFFAOYSA-N 444.556 7.337 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccccc2OC)c1 526485300 FHKOJIFJCOIBNF-RUZDIDTESA-N 440.499 5.413 30 10 IKEE CCOc1cc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)cc2)ccc1OC 526707549 HSEXEESVNFLXLA-QHCPKHFHSA-N 447.462 5.016 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c1 586089447 XKNLCMFLUMEXBD-UHFFFAOYSA-N 438.547 5.090 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1cc(F)c(F)cc1F 698486796 CJDZAWRSIXVLCX-QGZVFWFLSA-N 441.247 5.873 30 10 IKEE C[C@@H]1CCC[C@@]2(CS/C(=N/CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)N2)C1 705691361 DSKNIVUDASVNND-GJZUVCINSA-N 449.664 5.099 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1 710717826 JCBDKCJZCPUELQ-UUOWRZLLSA-N 429.561 5.276 30 10 IKEE Cc1ccc(NS(=O)(=O)c2ccc(N=Cc3ccc(Cl)cc3Cl)cc2)c(C)c1 1083898653 YLVBRVUZFQJSBZ-UHFFFAOYSA-N 433.360 6.162 30 10 IKEE CC1(C)[C@H](C(=O)Nc2ccccc2N=C/C=C/c2ccc([N+](=O)[O-])cc2)CC[C@]1(C)C(=O)O 1084468314 SQGJAJWFORJZOI-FLURQIGKSA-N 449.507 5.476 30 10 IKEE Cc1c(/C=C2\SC(=Nc3ccccc3)N(C3CCCCC3)C2=O)c2ccccc2n1C 1084507605 ZNCQXVVTARBBCL-SIFMURAYSA-N 429.589 6.423 30 10 IKEE Oc1ccc2ccccc2c1C=Nc1ccc2nc(SCc3ccccc3)sc2c1 1084623256 AVQMBQYARWTBOJ-UHFFFAOYSA-N 426.566 7.198 30 10 IKEE C[C@@H]1CC(=Nc2ccc(F)cc2)c2ccccc2N1C(=O)c1cc(Cl)cc(Cl)c1 1088661334 VZUKJGCAVQMEJT-CQSZACIVSA-N 427.306 6.692 30 10 IKEE C=C1SC(=Nc2ccccc2Cl)N(C(=O)[C@H](c2ccccc2)C2CCCC2)C1(C)C 1088724183 PFIAJUJZTWYDDH-JOCHJYFZSA-N 439.024 7.169 30 10 IKEE Cc1cc2c(n1-c1ccccc1)CC(C)(C)CC2=NOC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C 1772728422 MEEQSYLKXXOTIX-RRPNLBNLSA-N 448.563 5.127 30 10 IKEE CCOc1cc(/C=C2\SC(=Nc3nc(C)cs3)N(C3CCCCC3)C2=O)ccc1O 1772736304 IZTISWMXRRGXMX-PNVGRYOSSA-N 443.594 5.493 30 10 IKEE CC(C)c1ccc(NC(=O)Oc2cccc3c(NC(=O)c4cccc(C#N)c4)cccc23)cc1 1858779739 BJWYTYQQLLPJOD-UHFFFAOYSA-N 449.510 6.698 30 10 IKEE CCOc1ccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)nn2-c2ccc(Cl)cc2)cc1 1859407928 YWZVGRHGMVXKGC-UHFFFAOYSA-N 442.906 5.715 30 10 IKEE Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)Cc3ccc(C(C)C)cc3)cc(C)c2c1 1859656841 FLDWHEMQKWNBDF-UHFFFAOYSA-N 437.547 5.522 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccccc2C)cc1 1862389863 PKGTWNRLGNWDEV-SANMLTNESA-N 439.555 6.116 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@H]2c2ccc(Cl)cc2)cc1 1862391689 GSSCTVHUNFUTRI-QFIPXVFZSA-N 425.956 6.061 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccccc1C 1862429429 MSRHDSQDHVUERS-QHCPKHFHSA-N 439.983 6.587 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc([N+](=O)[O-])c1 1862435697 CAWMPSCPZCIIAZ-LJQANCHMSA-N 428.872 5.017 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1 1862443009 MEUSAYVJHNACOH-IFMALSPDSA-N 443.946 6.416 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2ccccc2C)cc1 1862475970 YLNYODZCABMLBL-RUZDIDTESA-N 425.528 5.515 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1 1862519549 MSBOMBZFAFBCML-VWLOTQADSA-N 449.591 6.223 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(F)cc2)cc1 1862615323 JMBWWVIIMQDZQJ-XMMPIXPASA-N 449.566 6.424 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccc(C)cc2)cc1 1862672966 IMWJLLFDRRWMIM-DEOSSOPVSA-N 429.491 5.475 30 10 IKEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2)cc1 1862673623 FTKARQFLUHEDCP-QMHKHESXSA-N 431.463 5.174 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@@H]1c1cccc(F)c1)c1ccc(F)cc1 1862674424 WOXBKASQWVLXNH-JOCHJYFZSA-N 425.475 5.656 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccc(OC)cc3)[C@H]2c2ccccc2)cc1 1862688360 WPNZKLVBFMXINJ-XDHUDOTRSA-N 443.499 5.043 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(Cl)c(Cl)c1 1862705772 GRCUHICPESREBB-CWTRNNRKSA-N 434.319 5.379 30 10 IKEE CCCCCCCCNC1=C(c2cc(Cl)ccc2Cl)C(=O)N(CCCCC)C1=O 1863721910 LVKFBSLWDOSKBJ-UHFFFAOYSA-N 439.427 6.214 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3ccccc3[C@@H]2c2cccc(F)c2)nc(CC)n1 1869124181 KXALUSULZFANPO-MHZLTWQESA-N 428.555 5.509 30 10 IKEE CC(C)c1ccc(Cn2nnc(C#N)c2NC(=O)C(c2ccccc2)c2ccccc2)cc1 1870105500 VMAAUEWUYBNQLS-UHFFFAOYSA-N 435.531 5.092 30 10 IKEE CCCCCCCCCCn1cc(OCCCC)c(=O)cc1CSc1ccc(C)cc1 1870182346 HHZKJDSPRUSVHP-UHFFFAOYSA-N 443.697 7.769 30 10 IKEE C=CCn1cc(OCC2CCCCC2)c(=O)cc1CSc1nc2ccccc2s1 1870275854 IFILQTFCHOURIH-UHFFFAOYSA-N 426.607 5.895 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCCC)c(=O)cc1CN(CCC)CCC 1870330709 NVBUNSBHDFLLKO-UHFFFAOYSA-N 436.637 5.163 30 10 IKEE CCCCCCCOc1cn(CCCOCCCC)c(CN2CCC(C)CC2)cc1=O 1870409339 OTYAILYPOHGODO-UHFFFAOYSA-N 434.665 5.636 30 10 IKEE C=CCn1cc(OCc2c(C)cccc2C)c(=O)cc1CN(CCCC)CCCCCC 1870488507 GKDKDXMGWJGPLI-UHFFFAOYSA-N 438.656 6.413 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(C)cc2)c(=O)cc1CN1CCC(O)CC1 1870770260 CSHGNBDMUZLJHG-UHFFFAOYSA-N 440.628 5.053 30 10 IKEE C=CCn1cc(OCCCOc2ccc(OC)cc2)c(=O)cc1CNc1cc(C)ccc1C 1871041552 GNZBYWDMIVVITN-UHFFFAOYSA-N 448.563 5.120 30 10 IKEE CCCCCCCCCCn1cc(OCCC)c(=O)cc1CNc1cc(Cl)ccc1C 1871106493 QDAOBFUTBKUTHB-UHFFFAOYSA-N 447.063 7.352 30 10 IKEE CCCCOCCCN1COc2cc(C)c3c(c2C1)O/C(=C\C=C\c1ccccc1)C3=O 1871350493 INVHZMYZWMOHST-XNVKXWJWSA-N 433.548 5.526 30 10 IKEE CC(C)=C1Oc2cc(OC(=O)CCCOc3ccc(Cl)cc3Cl)cc(C)c2C1=O 1871365128 OIHXREHCUWZATQ-UHFFFAOYSA-N 435.303 5.935 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2OC)C3=O)c1 1871386983 BYPVYCDQJJEBJS-UCQKPKSFSA-N 430.456 5.238 30 10 IKEE CCCCN(CC)Cc1c(O)cc(C)c2c1O/C(=C\c1ccccc1Br)C2=O 1871395868 YQPZWZNEYMUDIM-MOSHPQCFSA-N 444.369 5.701 30 10 IKEE Cc1c(O[C@H](C)C(=O)OC(C)C)ccc2c1O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 1871401010 RHWUBIUZNBDXIK-UFAQQFSPSA-N 442.511 5.997 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccccc1)C2=O 1871401657 JQCOWXBXPAMFBJ-OQLNFPPLSA-N 441.527 5.888 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc(OCCCOc4cccc(C)c4)c3C)C2=O)cc1 1871405022 LBNAMUKMBPNAFU-ITYLOYPMSA-N 444.527 6.166 30 10 IKEE COc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccc(C)cc4C)ccc3C2=O)cc1 1871410605 FSYCMVJYPXSLIN-BDFPJNNISA-N 443.499 5.334 30 10 IKEE Cc1cc(OCC(=O)C(C)(C)C)cc2c1C(=O)/C(=C/c1cc(Cl)cc3c1OCOC3)O2 1871419579 NHYIKPPOFNGQED-UWVJOHFNSA-N 442.895 5.125 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(F)cc1)C2=O 1871440357 KOOBMOKVYGAEPN-XKZIYDEJSA-N 431.463 5.385 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccc(F)cc1 1872446533 HBBTZHROJPAPLH-QHCPKHFHSA-N 446.588 5.323 30 10 IKEE CN(C)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 1872764307 JSNLNXYCSAXWFX-QGZVFWFLSA-N 426.339 5.129 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3c(C)cccc3C)n2)cc1 1872765915 ZKLJAGOQYQZSEO-QHCPKHFHSA-N 446.616 6.805 30 10 IKEE Cc1cccc(C)c1OCCCC(=O)[C@@H](C#N)c1nc(-c2ccc(F)cc2F)cs1 1872766724 KBNRHKAYMMGYNV-GOSISDBHSA-N 426.488 5.741 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(C)cc3C(C)(C)C)n2)cc1 1872767958 GBZAPGVWQKPWCF-FQEVSTJZSA-N 448.588 6.070 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3c(C)cccc3C)n2)cc1 1872770551 XMVSVWJBZUBRFC-JOCHJYFZSA-N 448.588 6.251 30 10 IKEE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)[C@@H](C#N)c1nc(-c2ccc(F)cc2)cs1 1872776760 WUTXCDXXNDBGEP-XHDPSFHLSA-N 435.307 5.900 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccc(Cl)cc3)n2)cc1C 1872787455 JZPSTHSHMGVXCQ-KXBFYZLASA-N 440.952 5.733 30 10 IKEE C=C(C)CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccc(O)cc1 1874217226 BHWOSSLACHMTGK-BHGWPJFGSA-N 442.972 5.383 30 10 IKEE CCCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1cccc(O)c1 1874217772 JMPDWAXXWXNKPH-FSJBWODESA-N 430.961 5.217 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccncc1 1874299029 FQKKOXZMENNDNE-MZJWZYIUSA-N 447.539 5.183 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc(OC)c2)n1/N=C/c1c[nH]c2ccccc12 1874310084 DIHWTGKDDIWOGG-CVKSISIWSA-N 431.565 5.104 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(Cl)cc3)n2/N=C/c2cccc(O)c2)c1 1874335977 CJFDMZDGCZRSOE-CVKSISIWSA-N 448.979 5.711 30 10 IKEE Clc1cccc(CSc2nnc(-c3ccccc3Cl)n2/N=C/c2cccnc2)c1 1874368273 SGQWQKBVMWMCBA-DHRITJCHSA-N 440.359 5.821 30 10 IKEE COc1ccccc1/C=N/n1c(Cc2ccccc2F)nnc1SCc1cccc(C)c1 1874373172 ANQABAMASQBVGT-JVWAILMASA-N 446.551 5.500 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2cccc(F)c2)n1/N=C/c1ccccc1O 1874393263 IFNCRCAFGXIJJO-CIRUFVMISA-N 432.524 5.449 30 10 IKEE Clc1ccccc1CSc1nnc(Cc2cccs2)n1/N=C/c1ccncc1 1874413497 WYHBOWIFMRRJMT-YDZHTSKRSA-N 425.970 5.153 30 10 IKEE C=C(C)CSc1nnc(CC(C)(C)C)n1/N=C/c1cccc(OCc2ccccc2)c1 1874438124 LOVCRIOJPXVOOY-WGOQTCKBSA-N 434.609 5.996 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCc3ccccc3F)nnc2-c2ccco2)cc1 1874466966 LPGQDJSQHAASSZ-WGOQTCKBSA-N 449.555 5.698 30 10 IKEE C=CCSc1nnc(C(C)(C)C)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874484906 UOWVXSSAPSJPCN-MFKUBSTISA-N 441.000 5.968 30 10 IKEE CC(C)Cc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1cccc(Cl)c1 1874491615 ADYDVYDHUHSWBG-BHGWPJFGSA-N 437.371 6.097 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CCC2)c1O 1874497076 SSCCDNITUGHXGU-FSJBWODESA-N 428.945 5.088 30 10 IKEE CCCSc1nnc(CCC)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874508449 DNIZENOERZPAJJ-BUVRLJJBSA-N 428.989 5.847 30 10 IKEE COc1cccc(C(=O)/C=C/c2c(OCC(=O)Nc3nccs3)ccc3ccccc23)c1 1874572232 CGVXWTSJGYZELS-ZHACJKMWSA-N 444.512 5.219 30 10 IKEE CCCNC(=O)COc1ccccc1/C=C/C(=O)c1ccc(OCCC)c(OCCC)c1 1874576503 QAWDWROOTYLYGF-ACCUITESSA-N 439.552 5.065 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Cl)ccc1OCC(=O)NC1CCCCC1 1874576682 AKTFOQGZFFQKOU-ACCUITESSA-N 427.928 5.072 30 10 IKEE CCc1ccccc1NC(=O)COc1ccccc1/C=C/C(=O)c1cccc2ccccc12 1874582432 NOXQJWGMVGYGAV-VHEBQXMUSA-N 435.523 6.316 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OCc1ccc(Cl)cc1Cl 1874594409 ISCKGKPRDDVBFU-YRNVUSSQSA-N 443.326 6.486 30 10 IKEE COC(=O)COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1Br 1874603404 PTZQMKKMHWVLQY-UXBLZVDNSA-N 425.278 5.050 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OC 1874616520 FLACOXFWDAYZFQ-RVDMUPIBSA-N 429.516 5.480 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OCc1ccccc1 1874622440 YMLHAAXPRLOVDW-LFIBNONCSA-N 430.544 6.476 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(OC)c1OCc1ccc(F)cc1 1874627335 KHFRSMVVTWBWSY-KPKJPENVSA-N 438.445 6.316 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OCc1ccccc1Cl 1874631838 XCEBMFLJSAGIHG-ZRDIBKRKSA-N 436.935 6.449 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)CSc3ccccc3)c2)cc1 1874701532 XSSBKAQEDBEHQG-OQLLNIDSSA-N 448.540 5.688 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2ccc(F)cc2)cc1OC(=O)CC(C)(C)C 1874709336 BIPXVDIQJXYSPU-JXMROGBWSA-N 449.316 5.835 30 10 IKEE CCc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)ccc2OC)cc1 1874711435 ZZSOCQBHQBPQAZ-GXDHUFHOSA-N 442.555 6.607 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cc(C)ccc3C)c(OC)c2)cc1 1875131152 KFAGIPRYADWEES-RIYZIHGNSA-N 444.527 5.755 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1 1875134408 RJSSTZULUNVONC-YIXHJXPBSA-N 427.283 6.117 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)c1ccccc1 1875140505 JVYFMCWIRCJIFB-OUKQBFOZSA-N 434.919 6.471 30 10 IKEE CCCCC(=O)Oc1c(OCC)cc(/C=C/C(=O)c2cc(C)ccc2C)cc1[N+](=O)[O-] 1875140678 RRMYXRZHDXVGHV-VAWYXSNFSA-N 425.481 5.602 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1F 1875152146 FYWNTJFZWAQWAJ-IZZDOVSWSA-N 435.407 5.166 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)c1ccc(N(C)C)cc1 1875157636 HRNHVKCGNFCQQI-LHHJGKSTSA-N 449.478 5.024 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)c1ccccc1Cl 1875157881 SQULDUJCQRJLOK-IZZDOVSWSA-N 445.273 6.256 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Br)c1OC(=O)C(C)C 1875158974 VXKIUZHASHVFLD-BJMVGYQFSA-N 435.289 5.444 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1OCC 1875171394 UYNFOQZJQKZPPZ-ZHACJKMWSA-N 444.955 6.356 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)ccc1OC(=O)C(F)(F)F 1875180063 KNOBZEWIBAUMRB-FNORWQNLSA-N 442.817 5.420 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(CNC(=O)OC(C)(C)C)CC12CCC2 1922093222 ATASNNQRXSVTCK-NVQXNPDNSA-N 428.617 5.213 30 10 IKEE CC(C)(C)OC(=O)N1CCC([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)CC1 1944711771 DHZGLDXULACIQJ-LJQANCHMSA-N 449.979 5.621 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC[C@]2(C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C1 2009500962 ZBIIPEVKKPPWSR-HSZRJFAPSA-N 447.963 5.375 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1nc(Cl)cs1 2020255744 XHESZGUPPGHLRK-GFCCVEGCSA-N 428.739 5.565 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]([C@@](C)(C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)C1 2023570058 NTCZCYRNTGJDOS-QZTZHPFYSA-N 435.609 5.532 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1CCC2(CCC2)N1C(=O)OC(C)(C)C 2025391488 QTSMELYKAWBXTG-XZOQPEGZSA-N 428.617 5.450 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)cc1 2032001774 XQQNNBYGPJXXTI-CEYNDMKZSA-N 443.588 5.664 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CC[C@@H](C)C[C@H]1OCc1ccccc1 2043774860 NIKNLXHUMQFHQP-SGGJORCASA-N 434.580 6.404 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@]1(C#N)C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 2070328363 QHUKAJHSKMPSBR-DQHZSEARSA-N 438.612 6.224 30 10 IKEE C=CC[C@](C)(NCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(F)F 2071263162 RQTABSQLQWKYDN-MHZLTWQESA-N 437.530 6.534 30 10 IKEE Cc1ccc([C@@H](C(C)C)n2nc(C3(C)CC3)c(C#N)c2I)cc1F 2079140794 RSXGHGOZCGVTEP-MRXNPFEDSA-N 437.300 5.104 30 10 IKEE CC(=O)Oc1ccc([C@@H](n2nc(C(C)(C)C)c(C#N)c2Br)C(C)(C)C)cc1 2080080234 RGXXMIWWGQUMOG-GOSISDBHSA-N 432.362 5.376 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@](C)(NC(=O)OC(C)(C)C)C1CCCCC1 2083688559 MIPJNAQKECYYEE-RPLLCQBOSA-N 444.660 5.991 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCC)c2ccc(Br)c(Cl)c2)C1 2126626473 VKDRRTJYCWMIGY-QGZVFWFLSA-N 443.813 5.614 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](Cc2cc(Br)ccc2Cl)NC)C1 2126687035 LMXGCBURSIXRBC-QGZVFWFLSA-N 443.813 5.094 30 10 IKEE CCCN(c1cc(Br)c(C#N)cc1F)C1CCN(Cc2ccccc2)CC1 2143600932 YCPVYXMKGRDUIA-UHFFFAOYSA-N 430.365 5.341 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1cccc2c1CCC2 2156048078 XVHPMVKPAHVVSN-HXUWFJFHSA-N 427.342 5.944 30 10 IKEE CC(C)(C)OC(=O)NC[C@H](Nc1cc(Br)c(C#N)cc1F)C1CCCCC1 2162409710 IXAOZDXCPVZCNS-SFHVURJKSA-N 440.357 5.345 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2cc(Br)cc(F)c2C#N)[C@H]1C(C)(C)C 2192474672 LKAHJULGMYNNJZ-WBVHZDCISA-N 440.357 5.296 30 10 IKEE C=CCN(CC[C@@H](NCC)c1sc(C)c(Br)c1C)C(=O)OC(C)(C)C 2219013941 YQUHIDAFLFCDCN-OAHLLOKOSA-N 431.440 5.591 30 10 IKEE CCCCCCCC[C@H](N)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237407977 YBYHJXCYYYTCBE-VQTJNVASSA-N 441.454 5.963 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@H](C#N)c1sc(Cl)cc1Br 2242100011 GROOYVPBJASCNR-AWEZNQCLSA-N 441.778 6.166 30 10 IKEE CC1(C)OB(c2cc(Oc3cccc(OCc4ccccc4)c3)ccc2[N+](=O)[O-])OC1(C)C 2283005910 PAPMFGXNRJKIOC-UHFFFAOYSA-N 447.296 5.265 30 10 IKEE C=CC[C@@]1(COc2cc(F)c(Br)cc2N)CCCCN1C(=O)OC(C)(C)C 2287838235 ATHOXGCYGJUTFH-FQEVSTJZSA-N 443.357 5.285 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@H](CC(C)(C)C)NC(=O)OC(C)(C)C 2296310026 DKOCTIUACLFTHI-OALUTQOASA-N 437.422 5.108 30 10 IKEE C=CCN1C(=O)C(=Cc2ccccc2OCCCOc2ccccc2C)SC1=S 2297624767 MCKZHQGPVZYURA-UHFFFAOYSA-N 425.575 5.230 30 10 IKEE O=C(C=Cc1ccc(F)cc1)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 2314430103 WIRIJSZJGXRYNN-UHFFFAOYSA-N 425.253 5.704 30 10 IKEE CC(=C1SC(=Nc2cccnc2Cl)N(C2CCCCC2)C1=O)c1ccc(O)cc1 2314542797 OTPQHYVROSZEES-UHFFFAOYSA-N 427.957 5.767 30 10 IKEE Cc1csc(N=C2SC(=Cc3c(Cl)cccc3Cl)C(=O)N2c2ccccc2)n1 2314543640 JEQPSHXXKRZJSJ-UHFFFAOYSA-N 446.384 6.567 30 10 IKEE C#CCCCCCCNCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2316804676 QRYSDRJYNZUEEO-UHFFFAOYSA-N 427.588 6.518 30 10 IKEE CCN(CC)c1ccc(NC(=O)C(=O)C=Cc2cccc(OCc3ccccc3)c2)c(C)c1 2318788278 HDDWICGOCIGJKF-UHFFFAOYSA-N 442.559 5.641 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc3c2CN(CCc2ccc(Cl)cc2)CO3)C1=O 2321928114 GRVVAFSJCWQAKX-UHFFFAOYSA-N 431.919 5.659 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccco1)O3)CN([C@H](C)c1ccc3c(c1)CCCC3)CO2 2322259142 AWVIAOZVKOPRCJ-GOSISDBHSA-N 441.527 5.996 30 10 IKEE C[C@@H](N1COc2ccc3c(c2C1)OC(=Cc1cccs1)C3=O)C12CC3CC(CC(C3)C1)C2 2322261110 SLHGFGAAWCZPBG-UYTITELCSA-N 447.600 6.121 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCCc1ccccc1)c1ccc(Br)cc1 2322426830 ZNECHFABRVXVJF-UHFFFAOYSA-N 441.752 6.620 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2cc(C)ccc2C)cc1 2322595628 SOKHVUUUJBQBEW-UHFFFAOYSA-N 433.935 6.179 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Br)ccc2OCCc2ccccc2)cc1C 2322884778 SUONOQLOLYJUJB-UHFFFAOYSA-N 435.361 6.584 30 10 IKEE Cc1cc(OC(=O)c2cccc(Cl)c2)cc2c1C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)O2 2322914359 MYQKMPIGCFNTOR-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)N[C@H](C)c3ccccc3)c2)cc1 2323060703 PKSUHAKWRDYNPA-HXUWFJFHSA-N 443.543 5.410 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OCC(=O)Nc1ccccc1C 2323138727 KTYIRJZIYQCHAO-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)Cc4ccc(Cl)c(Cl)c4)ccc3C2=O)o1 2323417087 HQHLWCIKUDUHJN-UHFFFAOYSA-N 429.255 5.659 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3F)c(Cl)c2)cc1OC 2323441353 GCYYXWAEMFETOJ-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(C)c2)cc(OC)c1OCc1ccccc1 2323580038 JNRUJUSDTPWHQK-UHFFFAOYSA-N 428.528 6.216 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1)NC1CCCCC1 2323580744 DKOFKOGLZZXPHH-UHFFFAOYSA-N 442.353 5.173 30 10 IKEE Cc1cc(OC(=O)c2ccc(-n3cccc3)cc2)cc2c1C(=O)C(=CC=Cc1ccccc1)O2 2323676552 JPWQYPNTDHGWDX-UHFFFAOYSA-N 447.490 6.177 30 10 IKEE CCCCCCCCCOc1ccc(C=NNc2nc(C)c(C(C)=O)s2)c(Cl)c1 2323858439 WWHFJAWVOLCZNO-UHFFFAOYSA-N 436.021 6.883 30 10 IKEE Cc1cc(O)c(CN2CCc3ccccc3C2)c2c1C(=O)C(=Cc1ccccc1Cl)O2 2324115980 QOEVQOPTTUWSDZ-UHFFFAOYSA-N 431.919 5.529 30 10 IKEE Cc1c(OCCCCOc2ccccc2)ccc2c1OC(=CC=Cc1ccccc1)C2=O 2324585071 ZSUAQBNDONXKKJ-UHFFFAOYSA-N 426.512 6.405 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)ccc1OCc1ccccc1F 2324665711 JQRHQBWLEZNURP-UHFFFAOYSA-N 445.317 7.006 30 10 IKEE Cc1c(OCC(=O)C(C)(C)C)ccc2c1OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2324922964 VSKYGYNKYXVPOV-UHFFFAOYSA-N 426.512 6.272 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCCc4ccc(C)cc4)c3C)C2=O)c(OC)c1 2325369819 KOCQHMLUUHIULK-UHFFFAOYSA-N 430.500 5.558 30 10 IKEE Cc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2325620014 FUQSZSAVXXVHOX-UHFFFAOYSA-N 446.507 5.119 30 10 IKEE O=C(Cc1ccc(Cl)cc1)Oc1cccc(C=CC(=O)c2ccc3ccccc3c2)c1 2325700014 FEBMNCSDQGQVQF-UHFFFAOYSA-N 426.899 6.537 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cccc(OCC)c3)c2)cc1 2325739621 MPBIXXUHYXQGCL-UHFFFAOYSA-N 430.500 5.989 30 10 IKEE Cn1c(C(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)OCO4)c2)cc2ccccc21 2325747836 YUXLEUVZHFVEKA-UHFFFAOYSA-N 425.440 5.022 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1cccc(F)c1 2326072235 SHOMVMSVYGLYSK-UHFFFAOYSA-N 444.963 5.633 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1N=Cc1c(OCC)ccc2ccccc12 2326222571 RYSUTOHCUJEITE-UHFFFAOYSA-N 444.604 6.347 30 10 IKEE CCCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1ccc(Cl)cc1 2326331944 QUXAKNXHGPOFTD-UHFFFAOYSA-N 441.044 6.746 30 10 IKEE Cc1cc(C)cc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccccc2Cl)c1 2326426304 ZLYQSFDYNCGZDS-UHFFFAOYSA-N 447.007 6.314 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccc(Cl)cc1 2326539931 RFMGISOEBNREFH-UHFFFAOYSA-N 433.364 5.633 30 10 IKEE Cc1nnc(SCc2ccc(Br)cc2)n1N=Cc1ccc(C(C)C)cc1 2326618163 STSOMRDSOFHOLR-UHFFFAOYSA-N 429.387 5.647 30 10 IKEE CCCCc1nnc(SCc2ccc(Br)cc2)n1N=Cc1ccccc1O 2326620966 LQOZXSWSPVVVCV-UHFFFAOYSA-N 445.386 5.263 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc(C(C)(C)C)cc1 2326698916 LCDVUEHRXMRWMT-UHFFFAOYSA-N 433.408 6.365 30 10 IKEE CCCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1N=Cc1ccc(CC)cc1 2326797907 MFKBDDMMHRVNAT-UHFFFAOYSA-N 436.581 5.144 30 10 IKEE CCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1c(Cl)cccc1Cl 2326991869 MBXMNDBLZOWYFI-UHFFFAOYSA-N 449.407 5.899 30 10 IKEE C=CCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccc(F)cc1F 2327292921 SWPNQEWFCRPBGN-UHFFFAOYSA-N 428.508 5.221 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1cc(Cl)ccc1O 2328945535 HKLKXCZHEIDNCA-UHFFFAOYSA-N 441.000 5.590 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2C)n1N=Cc1c(F)cccc1Cl 2329485060 HMJXSIWCLOAFEZ-UHFFFAOYSA-N 428.964 5.715 30 10 IKEE Cc1cccc(CSc2nnc(Cc3cccs3)n2N=Cc2ccc(Cl)cc2)c1 2330353467 MBULPDJQRXSQJX-UHFFFAOYSA-N 439.009 6.067 30 10 IKEE CCOc1cc(C=Nn2c(SCCc3ccccc3)nnc2-c2ccccc2)ccc1O 2330675165 ABRQLOACXZQUMS-UHFFFAOYSA-N 444.560 5.266 30 10 IKEE C=CCSc1nnc(-c2ccccc2)n1N=Cc1ccc(OCCCCC)c(OC)c1 2330678413 FAFUOSKMTSLUMV-UHFFFAOYSA-N 436.581 5.683 30 10 IKEE O=C(Cc1ccccc1F)Oc1ccc(C=CC(=O)c2cccc(Br)c2)cc1 2330994045 MLHVWMQYKOYYDG-UHFFFAOYSA-N 439.280 5.632 30 10 IKEE CCCCC(=O)Oc1c(OCC)cc(C=CC(=O)c2ccc(F)c(C)c2)cc1[N+](=O)[O-] 2331343542 AOADVUHOEHMSJW-UHFFFAOYSA-N 429.444 5.433 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3)c([N+](=O)[O-])c2)cc1 2331416759 NZICIECLCRJOCJ-UHFFFAOYSA-N 443.499 5.937 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(CC(C)C)nnc2SCc2ccccc2F)cc1 2331456943 ZBGDDFHMVXOSOV-UHFFFAOYSA-N 439.604 5.636 30 10 IKEE Cc1cccc(CSc2nnc(C3CCC3)n2N=Cc2ccc(C(F)(F)F)cc2)c1 2331497918 OECUUSRUHBESNM-UHFFFAOYSA-N 430.499 6.047 30 10 IKEE O=C(O)c1ccccc1C=Nn1c(SCc2cccc3ccccc23)nnc1C1CCC1 2331534521 VFMNTZVGPFFPDT-UHFFFAOYSA-N 442.544 5.572 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OC(=O)C(C)(C)C 2331579876 RUAVTLPFXHRVBN-UHFFFAOYSA-N 438.564 6.373 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)CC1CCCCC1 2331630791 UADAVBPKOYENOS-UHFFFAOYSA-N 436.548 6.093 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)c1ccccc1C 2331632411 OFLNLGCKPBOIFQ-UHFFFAOYSA-N 430.500 5.744 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C(C)C)cc1 2331708236 UYRPRCSVHGUWLR-UHFFFAOYSA-N 443.016 6.408 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc([N+](=O)[O-])c1OC(=O)C1CCCC1 2331708372 GVFHKTFMMWABAK-UHFFFAOYSA-N 437.492 5.602 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cccs3)c(Cl)c2)c(OC)c1 2331717542 GIMPWRYIQFKTSR-UHFFFAOYSA-N 442.920 5.463 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3)c(Cl)c2)c(C)c1 2331768748 ULBOAJVLEKYKFB-UHFFFAOYSA-N 432.947 6.700 30 10 IKEE CCOc1ccc(C=NNc2oc(Cc3cccc4ccccc34)nc2C#N)cc1OC 2331932702 OBZLGLKMEXBMKP-UHFFFAOYSA-N 426.476 5.144 30 10 IKEE CC(C)(C)CN(Cc1ccccc1)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(F)(F)F)n1 2339595984 GBJXJPXNXYNKNT-UHFFFAOYSA-N 448.338 5.452 30 10 IKEE COCc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)s1 2352091459 MATOUZFXXWUMGM-MRXNPFEDSA-N 437.359 5.663 30 10 IKEE C=CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCc2ccccc2)c1 2380542 YXNKOSIZAVHBPI-VWLOTQADSA-N 437.495 5.146 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccncc2)cc1OC 20883578 QMZNMBTYIPKJOB-XHCCPWGMSA-N 441.531 5.468 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1cc(-c3ccccc3)nn1[C@@H]2c1ccc(Br)cc1 21658674 QOFOVDHFAAHVSP-HSZRJFAPSA-N 448.364 5.971 30 10 IKEE COCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cccc(OC)c2)C2=C1CC(C)(C)CC2=O 27572008 YWRYEUJNZLRZAM-UHFFFAOYSA-N 437.580 5.027 30 10 IKEE CCOc1ccc(/C=C2\S/C(=N/c3cccc(C)n3)N(c3ccccc3)C2=O)cc1OC 39863519 PRAMNXRWAPCPDI-BQDIORIJSA-N 445.544 5.606 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1ccc(Cl)cc1 40093520 SAHUCOYBLHDNNN-JOCHJYFZSA-N 441.955 5.814 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 40101015 YOPCHQVZSQHFDR-QHCPKHFHSA-N 435.564 5.761 30 10 IKEE C[C@H]1Oc2ccc(-c3csc(-c4ccccc4)n3)cc2N(Cc2ccccc2C#N)C1=O 40593517 FBYWDOMVNIXNEA-QGZVFWFLSA-N 437.524 5.663 30 10 IKEE C=CCn1c(CNc2ccccc2)nnc1SCCC(=O)Nc1cccc2ccccc12 59265816 QJSLYQPNAYADNX-UHFFFAOYSA-N 443.576 5.350 30 10 IKEE CCCCCCCCCn1c([C@@H]2CC(=O)N(c3ccc(CC)cc3)C2)nc2ccccc21 102209839 LLGMSBZGHRLZFE-HSZRJFAPSA-N 431.624 6.870 30 10 IKEE CCc1ccc(S(=O)(=O)/N=C2/C=C(Sc3ccc(C)cc3)C(=O)c3ccccc32)cc1 103746839 RLIXDMXDGVQSQG-RWEWTDSWSA-N 447.581 5.608 30 10 IKEE CC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 169936847 CEGAMIQQFZYXJP-HXUWFJFHSA-N 435.376 5.296 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1cccc(C)c1 169941777 RJWMNTJAYRCEEU-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccccc2OC)cc1 169942246 ZFTYVKZCYHTXKP-XMMPIXPASA-N 427.500 5.349 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)c(C)c2)[C@@H]1c1ccc(OC(C)C)cc1 169978775 YXXLPDAJHBRZIJ-DEOSSOPVSA-N 435.564 5.859 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1cccs1)c1ccc2c(c1)CCO2 169985937 LGMQIEJTDDBYGE-HXUWFJFHSA-N 437.904 5.119 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2ccncc2)cc1C 170019615 MSBLMRSRFTZRBG-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(Cl)cc2)cc1 170057551 JHRYHRRZHKFLQX-NRFANRHFSA-N 437.854 5.271 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccccc2C)cc1C 170087088 HJMUXOPCXNTPSP-VWLOTQADSA-N 440.543 5.461 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2C2CCCCC2)cc1 170114656 WUKOPGRTLXCEJY-XMMPIXPASA-N 449.547 5.393 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccs2)cc1C 170158024 JXVLFPCKJLMNSA-QFIPXVFZSA-N 429.497 5.894 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccccn2)cc1Cl 170172761 RZXCQOINPZFBPM-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccncc1)c1cc2cc(Cl)ccc2o1 170199430 JKDVGUBRQPGRRP-NRFANRHFSA-N 448.837 5.403 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2)cc1 170231485 XTIRQAYHJIQHBD-XMMPIXPASA-N 433.548 5.632 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1F 170249066 NCGMBYBFWVSGBY-JOCHJYFZSA-N 431.463 5.234 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccccc1C 170270772 XYZKFTJRJIZNSK-HSZRJFAPSA-N 445.490 5.542 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1CCCOC(C)C 170278104 VZYNLQBJAJNMDR-OAQYLSRUSA-N 427.928 5.042 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2sccc2C)cc1 170315311 MKAJASBFLXMCAP-OAQYLSRUSA-N 431.513 5.083 30 10 IKEE C=CCOc1cccc([C@H]2C(C(=O)c3cc(C)cc(C)c3OC)=C(O)C(=O)N2CCCC)c1 170324062 HZXGXAZXASYBKP-QHCPKHFHSA-N 449.547 5.255 30 10 IKEE C=CCOc1cccc([C@H]2C(C(=O)c3cccc(OCC(C)C)c3)=C(O)C(=O)N2CCC)c1 170324280 OSVOKKOKKZNEEP-DEOSSOPVSA-N 449.547 5.275 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2c[nH]c3ccccc23)cc1 170423098 RMGCXKDBWLNHHZ-QFIPXVFZSA-N 444.512 5.017 30 10 IKEE COc1ccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)cc1OC 170434087 WHJHMTIEGKRTQZ-IBGZPJMESA-N 447.890 5.012 30 10 IKEE C[C@H](Nc1cc(Br)ccc1C#N)c1ccc(I)cc1 235551951 QNNLFTJEUOUVSH-JTQLQIEISA-N 427.083 5.098 30 10 IKEE COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)/C(=C\c3ccc(OC(F)F)cc3)C[C@H]12 253485881 SDYMIDMUFXWPCF-LCKDWRJUSA-N 438.514 6.415 30 10 IKEE CCOc1ccc(-c2csc(=NN=Cc3ccc4c(c3)OCO4)n2-c2ccccc2)cc1 254405489 GGXOALVVEWKMBW-UHFFFAOYSA-N 443.528 5.268 30 10 IKEE C=C(CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1CC3)C(C)C 257621336 XJLZCPIILZRCPS-SSZVGTAGSA-N 440.756 8.725 30 10 IKEE biogenic N#C[C@@H](CNc1cc(Br)ccc1I)C1CCCCC1 397326748 IQVFYVZQGNUMEH-LBPRGKRZSA-N 433.131 5.186 30 10 IKEE CN(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc3ccccc23)cc1 526709196 SXOLCPOFXQKCTN-AREMUKBSSA-N 448.522 5.689 30 10 IKEE CC(C)Oc1ccccc1[C@@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1ccc(F)c(F)c1 526709472 GDZMDKCTKQJMML-HSZRJFAPSA-N 449.453 5.535 30 10 IKEE Cc1cc(C)cc(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccccn2)c1 526809814 VJKUFNFOQDPVGG-PKAZHMFMSA-N 427.577 5.250 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccc(OC(C)(C)C)cc1 526811829 UUNYBGLDJRTIKV-MYYYXRDXSA-N 443.016 6.236 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1cccc(OC)c1OC 526821165 FCMRDJIHJGQUKR-QQXSKIMKSA-N 446.576 5.576 30 10 IKEE CCN(Cc1ccccc1)c1ccc(/C=N\n2cnnc2SCc2cccc(F)c2)cc1 526824796 ULWZMUGSSJMMKP-NTFVMDSBSA-N 445.567 5.618 30 10 IKEE C=CCn1c(-c2ncccc2C)nnc1N1CCC[C@@H]1c1ccc(Br)s1 567968442 IJCAWWYMXBPXJK-CQSZACIVSA-N 430.375 5.000 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(CCCC#N)c2ccc(C(C)C)cc2)cc1 586231351 RCKYBSUGZTVZQU-UHFFFAOYSA-N 426.626 6.432 30 10 IKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(Br)cc(Br)c1 698409631 VVTTYFVSBIAWFL-ABAIWWIYSA-N 446.183 5.812 30 10 IKEE CCCCCCCCCC[C@H](O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 705486951 LEDMFYFFSIYIIZ-OEMFJLHTSA-N 435.649 6.377 30 10 IKEE CC/N=C1/S/C(=C\c2c(OCc3cccc(C)c3)ccc3ccccc23)C(=O)N1CC 1083993879 PJYUYHKWGJNTLN-AGGBOBLOSA-N 430.573 6.039 30 10 IKEE CCCCCCCCCCC(=O)O[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@H]4[C@@H]3CC[C@@]12C 1085228406 GRAAWEGTURLYKP-CRBUOTLPSA-N 442.684 7.571 30 10 IKEE C=C(C)[C@@H]1CC[C@]2(C)CC[C@@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@H]12 1565535517 MQYXUWHLBZFQQO-WBTSVZTASA-N 426.729 8.025 30 10 IKEE Cc1nnc(N=C2S/C(=C/c3ccc(C(C)C)cc3)C(=O)N2C2CCCCC2)s1 1772738353 OYDTZXIKFVBEFM-LRSFCCPYSA-N 426.611 5.907 30 10 IKEE CCCCCCCCCNC(=O)[C@H]1CC(=O)N(CCCC)[C@H]1c1cccc(OC)c1OC 1860319131 JHCHRBILQNKKGQ-URXFXBBRSA-N 446.632 5.260 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)CCCOc1ccccc1 1861693740 OYRBANDBPYPBAQ-VWLOTQADSA-N 438.612 5.050 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)/C=C/c1ccc(C(=O)OC)cc1 1861768625 VAGMFTFICNICEB-DXCHCPKQSA-N 444.616 5.028 30 10 IKEE O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 1861858593 ZWFQBAJHOQWCOR-CQSZACIVSA-N 448.382 5.714 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOCC)[C@@H]2c2ccc(C)cc2)cc1 1862389773 NHIYEDQMGCJCAL-XMMPIXPASA-N 435.564 5.343 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccccc1F 1862431037 YGQFDSYTAUUFOF-NYHFZMIOSA-N 435.882 5.819 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2c(F)cc(F)cc2F)=C(O)C(=O)N1[C@@H]1CCCC[C@H]1C 1862456685 XMPZOVFUNSMTHZ-JSVDNDDVSA-N 443.465 5.569 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(Cl)cc3)[C@H]2c2ccc(C)cc2)cc1 1862475330 JDKXSUALWDBWEF-DEOSSOPVSA-N 445.946 5.778 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2c(F)cccc2Cl)c1 1862495369 XOSLCLUDHNXVFK-OAQYLSRUSA-N 429.919 5.720 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(OCC)c(OC)c1 1862496597 NNJCYMCTQOETHQ-QHCPKHFHSA-N 437.536 5.089 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccccc2F)c1 1862501669 IBPNFSQSPVPWFL-QHCPKHFHSA-N 433.454 5.360 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)cc1 1862502170 SQBHZAGRQGTCQS-LDLFBNOTSA-N 437.511 5.300 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccc(Cl)c2)ccc1F 1862503052 ONPOOXAKYVWRBJ-FQEVSTJZSA-N 441.911 5.628 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2c(Cl)cccc2Cl)cc1 1862521158 AYCJJHIAQHBBFJ-FQEVSTJZSA-N 446.330 5.523 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2ccc(N(CC)CC)cc2)cc1 1862538346 LJBNMHNYNJPMKQ-HOYKHHGWSA-N 434.580 5.472 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(N(C)C)cc1 1862545627 FDCHDQBONTVHHE-VWLOTQADSA-N 446.591 5.256 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)CCCC2 1862551164 QPSLIRNUQFPNET-NRFANRHFSA-N 442.342 5.613 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(Cl)c(Cl)c1 1862562249 BCELLUSIZDXSMH-HXUWFJFHSA-N 447.362 5.734 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(Cl)cc1 1862591989 SNYJOLWGKYJQMQ-RFVSGWPVSA-N 425.912 5.203 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccccc2)cc1 1862617459 ZRDSIYRUIUYECW-DEOSSOPVSA-N 443.518 5.902 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCC)cc1 1862622530 KWUJYGMMNXRSSD-QHCPKHFHSA-N 435.564 5.761 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(Cl)c(Cl)c1 1862655640 MIHJZWXMJTURTC-NRFANRHFSA-N 440.326 6.133 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C(C)C)cc3)[C@H]2c2ccccc2)cc1 1862662048 ZRGFGYRCDDWAJA-AREMUKBSSA-N 439.555 5.939 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1c(F)cccc1Cl 1862667003 QHFIZPFPFCZPIV-OAQYLSRUSA-N 429.919 5.981 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 1862689264 MBYBPUXABFHTRG-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(O)cc1 1862698294 FTZZDUICCZZMTB-AUSIDOKSSA-N 437.536 5.338 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862716313 DISNJQLCYUIMOS-IQGLISFBSA-N 443.543 6.005 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc([N+](=O)[O-])c1 1862718138 UKRVGRCGSBVMIK-HSZRJFAPSA-N 444.487 5.517 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cccc2ccccc12)c1ccc2ccccc2c1 1862718977 GQSMUXXMAQMHMG-HHHXNRCGSA-N 447.534 6.514 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(C(=O)OC)cc1 1862720107 SKHFAEPYVXZGAN-WAIKUNEKSA-N 443.499 5.003 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cccc2ccccc12 1862736897 BFMYLQHGBXMPLS-HSZRJFAPSA-N 444.487 5.372 30 10 IKEE CCc1ccc(NC2=C(c3ccccc3Cl)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1863077535 RXDBHMTUWGKURS-UHFFFAOYSA-N 427.891 5.171 30 10 IKEE C=CCNC1=C(c2ccc(Cl)c(Cl)c2)C(=O)N([C@H](C)c2ccc(CC)cc2)C1=O 1863641480 AISPWJUFKCSRQV-CQSZACIVSA-N 429.347 5.173 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2cccnc2)=C(c2ccc(OCCC)cc2)C1=O 1863685642 RFYXAHWNEHLCJL-UHFFFAOYSA-N 449.595 5.101 30 10 IKEE C[C@@H]1c2ccc(C#N)n2CCN1C(=O)c1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 1866353229 CKJUFWZTECXKJN-GOSISDBHSA-N 440.547 5.127 30 10 IKEE CC[C@](C)(NC(=O)C[C@H](c1ccc(Cl)cc1)C(C)C)C(=O)Nc1ccccc1C#N 1866754391 HXZBQCKJWMFZHT-RDPSFJRHSA-N 425.960 5.265 30 10 IKEE CCC[C@H](NC(=O)C[C@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1ccccc1C#N 1866774809 DKNDIUOWGSJUQO-NOZRDPDXSA-N 443.522 5.143 30 10 IKEE CC(C)[C@H](C(=O)NC(C)(C)C(=O)Nc1ccc(C#N)cc1)c1ccc(Cl)c(Cl)c1 1866988503 LCPDZWNTUBGJLX-IBGZPJMESA-N 432.351 5.138 30 10 IKEE CC[C@](C)(NC(=O)[C@@H](c1ccc(Cl)cc1)C1CCCC1)C(=O)Nc1ccccc1C#N 1867007325 ICTYPBKJOLCRGX-RDGATRHJSA-N 437.971 5.409 30 10 IKEE CCc1ccc([C@@H]2CN(c3cc(Nc4ccc(C#N)cc4)nc(C(C)(C)C)n3)CCO2)cc1 1868355883 QRCXGBCSAXRXFX-QHCPKHFHSA-N 441.579 5.530 30 10 IKEE CCCc1nc(Nc2ccccc2C#N)cc(N2C[C@@H](c3ccccc3)Cc3ccccc32)n1 1868398733 PXAZYPZZYSFKST-DEOSSOPVSA-N 445.570 6.522 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)c2cc3ccccc3o2)n(-c2cccc(Cl)c2)n1 1870002129 CGUUARJMDZRGQQ-UHFFFAOYSA-N 433.899 5.098 30 10 IKEE CCCCCCCCn1cc(OCCOc2ccccc2)c(=O)cc1CSC(C)C 1870161258 IOVJTWZKKHFTMY-UHFFFAOYSA-N 431.642 6.308 30 10 IKEE CCCCCCCOc1cn(CCOC)c(CSCc2nc3ccccc3[nH]2)cc1=O 1870252082 BYYFGIDOALACAM-UHFFFAOYSA-N 443.613 5.154 30 10 IKEE CCCCN(CC)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1Cc1ccc(F)cc1 1870348464 ZDDFPAUPLIDJAI-UHFFFAOYSA-N 447.554 5.108 30 10 IKEE CCCCCCCOc1cn(CCCN(CC)CC)c(CNc2ccccc2)cc1=O 1870837681 SJLNLUZEKTUKAW-UHFFFAOYSA-N 427.633 5.542 30 10 IKEE COc1ccc([C@H](C)N2COc3c(cc4c(c3C)O/C(=C\c3ccccc3C)C4=O)C2)cc1 1871358733 AZFNDHVYMMIDAO-ILRHRSLTSA-N 441.527 5.841 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)CCc4ccc(C)cc4)cc(C)c3C2=O)cc1 1871366502 IQRMRAJCABHHLE-IWIPYMOSSA-N 428.484 5.466 30 10 IKEE O=C(CCCOc1ccccc1)Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 1871371514 UIQQBIPGWXMYON-KIKGYRQASA-N 426.468 5.624 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(C)c(C)c4)c3C)C2=O)cc1 1871372533 WZAHYRSFZGJXSH-IWIPYMOSSA-N 428.484 5.846 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1[N+](=O)[O-] 1871374971 MRYCAXHEADKSDA-MSXFZWOLSA-N 443.455 5.862 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc(OC(=O)/C=C/c4ccccc4)c3C)C2=O)cc1 1871385301 LLTFOIIQCWOBBW-GSCASXBJSA-N 426.468 5.629 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(CC)cc2)C3=O)c1 1871387679 JHXGOGVHNWBBKC-MYYYXRDXSA-N 428.484 5.873 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccc(F)cc4)cc(C)c3C2=O)cc1 1871403513 XZIJYVHXCUHUAC-PDESAOGPSA-N 445.490 5.719 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(O[C@@H](C)C(=O)Nc3ccccc3C)cc(C)c2C1=O 1871409359 MLIXONXYEFVFRQ-SMNNTEATSA-N 443.499 5.334 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4c(Cl)cccc4Cl)ccc3C2=O)o1 1871431934 RPBDBNCAPMSYRD-GRSHGNNSSA-N 444.270 5.529 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCc4ccccc4C#N)cc(C)c3C2=O)c1OC 1871436921 CLWORCFKKNKCRK-FMCGGJTJSA-N 427.456 5.079 30 10 IKEE COc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)cc1Cl 1871453381 VFEMGMKNAFDKGP-KSEXSDGBSA-N 449.890 5.291 30 10 IKEE COc1cc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3C)cs2)ccc1OC(C)=O 1872769574 VTKZAULUGKXJMO-AQDCRGGLSA-N 446.528 5.251 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)n2)cc1 1872770175 MGXDDOMVSKGHPD-JPYJTQIMSA-N 448.588 6.366 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@H](C#N)C(=O)/C=C/c2cccc([N+](=O)[O-])c2)n1 1872781899 ZWBFHOJATXMOLW-IHHMQQGQSA-N 433.489 5.233 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)COc3c(C)ccc(C)c3C)n2)cc1C 1872787521 LEXJESLVWNVUQD-HXUWFJFHSA-N 434.561 5.616 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc3nc[nH]c3c2)=C(c2ccccc2)C1=O 1873413127 NFTCQHNTHVUOAV-UHFFFAOYSA-N 444.579 5.896 30 10 IKEE Cc1ccc(-n2ncc(N/N=C/c3ccc(C(C)(C)C)cc3)c(Br)c2=O)cc1 1873526232 UHHRNNHGUPZEMS-ZMOGYAJESA-N 439.357 5.047 30 10 IKEE C=CCn1c(C(=O)Nc2cc(C)ccc2C)cc2c(NCc3ccc(F)cc3)ncnc21 1873611564 HHKNJSQEYFEQLN-UHFFFAOYSA-N 429.499 5.238 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1ccccc1C 1874202780 TZOSZRHJIDGXSV-JFLMPSFJSA-N 448.636 6.322 30 10 IKEE C=C(C)CSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(CC)cc1 1874269872 SQJTWJJMBNHUAU-WPWMEQJKSA-N 426.589 6.135 30 10 IKEE COc1ccc(/C=N/n2c(CCc3cccs3)nnc2SCc2ccccc2C)cc1 1874368863 WRDVRXSBJKLDGT-PCLIKHOPSA-N 448.617 5.616 30 10 IKEE CC(C)c1ccc(/C=N/n2c(COc3ccccc3)nnc2SCc2ccccc2)cc1 1874384325 JUTZWDJXQDRSCN-WPWMEQJKSA-N 442.588 6.155 30 10 IKEE Cc1ccc(/C=N/n2c(Cc3ccc(C)cc3)nnc2SCc2ccccc2Cl)cc1 1874389774 DVEOJGADERWVDC-JVWAILMASA-N 447.007 6.314 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2/N=C/c2cccc(C)c2)cc1 1874390616 WDLITUNAEXMYQE-JVWAILMASA-N 447.007 6.314 30 10 IKEE Cc1ccccc1CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1ccccc1O 1874392898 XVFLIIUZFMPBAJ-DZTFFZQKSA-N 428.561 5.618 30 10 IKEE CCc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccccc2)cc1 1874402717 KRKPNIJMNRXJSW-ZXVVBBHZSA-N 426.589 5.800 30 10 IKEE COc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCCc2ccccc2)cc1 1874408268 OBGDOMYIKZHKBE-LGUFXXKBSA-N 434.609 5.627 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2ccccc2)c(C)c1 1874458040 UKRDIYPDZXVBDH-MFKUBSTISA-N 433.581 5.166 30 10 IKEE COCCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1c(Cl)cccc1Cl 1874471462 LLVREYTXBNSCAO-FOKLQQMPSA-N 439.343 5.087 30 10 IKEE COCCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1ccc(C(F)(F)F)cc1 1874472411 DMMKNDRCZADJQV-LGJNPRDNSA-N 448.514 5.277 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1ccc(Cl)c(Cl)c1 1874476432 OVVDQUAPIIMCAI-DHRITJCHSA-N 447.435 6.719 30 10 IKEE C=C(C)CSc1nnc(CC(C)C)n1/N=C/c1ccc(N(CC)Cc2ccccc2)cc1 1874488220 QTYKIXIOCFZZNV-WPWMEQJKSA-N 447.652 6.054 30 10 IKEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1cccc(Cl)c1)NC1CCCCC1 1874577213 CQKFEFOIOLQVON-PKNBQFBNSA-N 432.347 5.717 30 10 IKEE Cc1cccc(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc(C(C)C)cc2)c1C 1874583201 BRNQEFWQSURRNV-WUKNDPDISA-N 427.544 6.340 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1Cl)NC1CCCCC1 1874611617 NLNFAQVRYDGELP-UXBLZVDNSA-N 433.882 5.342 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OCc3ccccc3F)c([N+](=O)[O-])c2)c1 1874619248 RICHUGNLSOAEFS-JXMROGBWSA-N 437.423 5.226 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2Cl)cc1C 1874625113 MNZMETVLXIRZED-NYYWCZLTSA-N 437.898 6.010 30 10 IKEE CCCC(=O)Oc1cc(/C=C/C(=O)c2cccc(Cl)c2)c(Br)cc1OC 1874699121 FIFHBWXBTJPFBV-CMDGGOBGSA-N 437.717 5.713 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(-c3ccccc3)cc2)c1)c1cccc(Cl)c1 1874699393 SGUOQHLKRRHVPC-SFQUDFHCSA-N 438.910 7.122 30 10 IKEE Cc1cccc(C)c1OCCCC(=O)Oc1cccc(/C=C/C(=O)c2ccc(Cl)cc2)c1 1874700950 UVWQRICXKWZAHH-LFIBNONCSA-N 448.946 6.618 30 10 IKEE Cc1cc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(OCC(C)C)cc3)c2)ccc1F 1874704080 WBBAOWPFOKKVDS-VGOFMYFVSA-N 432.491 6.284 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1OC(=O)CCc1ccccc1C 1874707585 MATFYTSUTBTXRF-YRNVUSSQSA-N 444.483 5.167 30 10 IKEE Cc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(Oc4ccccc4)cc3)c2)cc1 1874712299 DQEPENXCYPFKRT-XDHOZWIPSA-N 434.491 6.903 30 10 IKEE O=C(Oc1cccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1)c1ccc(F)c(F)c1 1874718903 PTVRYRBSRBYMAX-RUDMXATFSA-N 433.237 6.387 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc(Br)c1O 1874719231 PNAUUDXGRZOTLL-MDWZMJQESA-N 439.305 6.242 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(C)c(C)c3)c(Cl)c2)cc1 1875100168 RDBUCVBMAMZNLZ-MDWZMJQESA-N 448.946 6.400 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)cc3)c(Cl)c2)c1 1875102892 RVABIPKQRCSPLS-VZUCSPMQSA-N 427.283 6.117 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)ccc1OC(=O)Cc1ccc(Cl)cc1 1875102952 HVKNAALYWPTULJ-OQLLNIDSSA-N 448.946 6.345 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1Cl 1875126063 NXQFSCFMTXMLOP-WUXMJOGZSA-N 441.310 6.046 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)C3CCC3)c(Br)c2)cc1 1875137919 AUXITBOVVJJOJD-WUXMJOGZSA-N 443.337 5.840 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OCCC)cc2)cc(OC)c1OC(=O)C1CCCC1 1875139069 PXZFDNWRICKJFD-LFIBNONCSA-N 448.559 6.204 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2Cl)cc1 1875139717 WTJFRTARBPGZKT-SDNWHVSQSA-N 446.974 6.954 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3F)c(Cl)c2)cc1 1875148189 FMICLQIRUAUKNJ-RIYZIHGNSA-N 436.910 6.892 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1Cl 1875149940 PGLUQIDDUPMFLL-UXBLZVDNSA-N 434.875 5.503 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)Cc1ccc(C)cc1 1875176081 VSCQTOOKGKYVPW-ZRDIBKRKSA-N 448.946 6.318 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)c1ccccn1 1875185810 PZFVXEPUTLDZRC-JLHYYAGUSA-N 429.516 5.811 30 10 IKEE C#CCCCCCC(=O)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875673620 WHODYUJVJLCKCH-GDLZYMKVSA-N 442.555 6.031 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCOC[C@H]1C(F)(F)F 1916555851 VWDGMOGLQRHQOV-RHSMWYFYSA-N 449.267 5.052 30 10 IKEE C=C(COCc1ccccc1)[C@H](NC)[C@H](CNC(=O)OC(C)(C)C)CC1CCCCC1 1922087218 XBOPFYFDDJSSON-ZEQRLZLVSA-N 430.633 5.459 30 10 IKEE CC(C)(C)OC(=O)NCC1CCC(C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)CC1 1942878465 RDTWMJYAPTWOOR-UHFFFAOYSA-N 429.561 5.405 30 10 IKEE CN(C[C@](C#N)(N(C(=O)OC(C)(C)C)C1CCCCC1)C(C)(C)C)C(=O)OC(C)(C)C 1944385282 GMMROGWJCYUQNR-DEOSSOPVSA-N 437.625 5.732 30 10 IKEE C#CCCN(C(=O)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C)C1CCCCC1 2009893026 ZTEXESSXOWYACZ-UHFFFAOYSA-N 426.601 5.389 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@@H](C(C)C)N(Cc2ccccc2)C1 2029763603 MSOCQZOYWUTQFT-RPLLCQBOSA-N 433.596 5.929 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2031496986 JALNCWOVEBKYTA-CPJSRVTESA-N 449.636 6.066 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccccc1Cl)c1ccc(Cl)cc1 2033813046 FHPPISDUSBUTOJ-LJQANCHMSA-N 444.339 5.833 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c1ccccc1F)C2 2041700948 BPDBQWJHLIHQSN-XHNJZIHCSA-N 445.535 5.391 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1cccc(OCCNC(=O)OC(C)(C)C)c1 2063597168 SKVCVUNZMAIJJK-XMMPIXPASA-N 440.584 5.014 30 10 IKEE C[C@H](c1ccc(C2CC2)cc1)n1nc(C2CCC2)c(/C=N/O)c1I 2079040526 QBXOTLXQSJUJDF-KIHMUJGBSA-N 435.309 5.050 30 10 IKEE CCOC(=O)c1c(C2CCC2)nn(Cc2cc(F)ccc2C(F)(F)F)c1C(F)(F)F 2079051679 JMEJSDXLGMZMFI-UHFFFAOYSA-N 438.343 5.552 30 10 IKEE CC1(c2nn([C@@H](c3ccc(C4CC4)cc3)C3(C)CC3)c(Br)c2/C=N/O)CC1 2079062107 JZUZLMVLXJSFBS-BBMHEYIBSA-N 428.374 5.772 30 10 IKEE CC(C)[C@@H](c1ccc(C(F)(F)F)cc1F)n1nc(C2(C)CC2)c(C#N)c1Br 2079937184 UYAXGANCAVIGGM-HNNXBMFYSA-N 444.270 5.972 30 10 IKEE N#Cc1c(C2CCCC2)nn(Cc2c(F)cccc2Br)c1Br 2080296686 ABZJVZJNISDLLF-UHFFFAOYSA-N 427.115 5.125 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)c(F)c1F 2145544020 MCHQSMBYBBRAKK-CRAIPNDOSA-N 445.348 5.075 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCC2(CCOCC2)C1 2159745385 OPPVUOPGALIRFO-NRFANRHFSA-N 435.362 5.434 30 10 IKEE CCC1(CNc2ccc(C#N)c(Br)c2F)CCN(C(=O)OC(C)(C)C)CC1 2162411570 XKUFDJGJWPMVMX-UHFFFAOYSA-N 440.357 5.299 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H](Nc1cc(Br)cc(F)c1C#N)C1CCCCC1 2163709109 SDKNCDRQBWDADJ-GOSISDBHSA-N 440.357 5.345 30 10 IKEE CC1(C)C[C@H](Nc2cc(Br)cc(F)c2C#N)CCN(C(=O)OC(C)(C)C)C1 2163710474 GOYORSTZDFXZLF-CQSZACIVSA-N 440.357 5.297 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CN(c2cc(Br)ccc2C#N)C2(CCCCC2)C1 2174809074 VUGGHLCBSOVKBK-KRWDZBQOSA-N 434.378 5.127 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCC[C@H]2CCCC[C@@H]21 2201121522 IGUHFKOZOSRWBM-WVBUVRCRSA-N 433.390 6.443 30 10 IKEE CCCC#C[C@@H](NCCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2213316844 VZVBKZDSCVBGAC-BVAGGSTKSA-N 428.617 5.002 30 10 IKEE CCCN[C@@H](C#CC(C)(C)C)c1cc(Br)ccc1I 2225435027 XTUJWLWHBFHAGW-HNNXBMFYSA-N 434.159 5.144 30 10 IKEE C=CCN(C[C@@H](NCCC)c1c(F)cc(F)cc1Br)C(=O)OC(C)(C)C 2225599879 JGWRMOWCNOKBAI-MRXNPFEDSA-N 433.337 5.191 30 10 IKEE Cc1cccc(C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)c1NC(=O)OC(C)(C)C 2231052662 IGCBPUOLRGDOQV-UHFFFAOYSA-N 444.381 5.040 30 10 IKEE C=CCCC[C@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2262828569 POLHVONNGRRESF-SANMLTNESA-N 431.576 6.217 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1cc(Br)cc(C(C)(C)C)c1 2273001062 MBOQFTUYCKAOJC-MSOLQXFVSA-N 425.411 5.477 30 10 IKEE C=CCCC1([C@@H](NC)c2cc(F)c(Br)cc2F)CN(C(=O)OC(C)(C)C)C1 2281042999 VKPGNRODCGZCEX-KRWDZBQOSA-N 445.348 5.191 30 10 IKEE O=C(O)c1ccc(CN=Cc2cn(CCOc3ccc(Cl)cc3)c3ccccc23)cc1 2296421064 ILFOLJKBIMKBAX-UHFFFAOYSA-N 432.907 5.691 30 10 IKEE O=C(Oc1ccc(F)cc1C(=O)C=Cc1cccs1)c1ccc(Br)cc1 2296760908 WHQPRQLQICMUCV-UHFFFAOYSA-N 431.282 5.765 30 10 IKEE Clc1ccc(Cn2c(C=NC(c3ccccc3)c3ccccc3)nc3ccccc32)cc1 2297279751 CWYUIMJMVFULBD-UHFFFAOYSA-N 435.958 6.947 30 10 IKEE C#CCOc1c(Cl)cc(C=C2SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1OC 2297308234 JJQAUXLZLBFMNO-UHFFFAOYSA-N 448.327 5.251 30 10 IKEE COc1ccc(C=CC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1Br 2297482020 MAHBDAMBCSTTSA-LBPRGKRZSA-N 431.355 5.168 30 10 IKEE C[C@@H](Oc1ccc(C=C2SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc1)C(=O)O 2313565167 XDMKMXGMKYAWSP-QGZVFWFLSA-N 444.512 5.347 30 10 IKEE C=CCN1C(=O)C(=Cc2ccccc2OCc2ccc(C)cc2)SC1=Nc1ccccn1 2314541460 MCEKNNLWAKZNKN-UHFFFAOYSA-N 441.556 5.759 30 10 IKEE CC#CCN(C[C@H](NCCC)c1ccc(OCc2ccccc2)cc1)C(=O)OC(C)(C)C 2316107504 UUICRFRVRJMMML-VWLOTQADSA-N 436.596 5.567 30 10 IKEE CCc1nnc(SCC(=O)Nc2cccc(C)c2)n1N=Cc1ccc(Cl)c(Cl)c1 2320961440 ONOGQBDEPKYXJX-UHFFFAOYSA-N 448.379 5.069 30 10 IKEE COc1ccc(CCN2COc3cc(C)c4c(c3C2)OC(=Cc2ccccc2C)C4=O)cc1 2321937632 KGUUQZIITJCHDT-UHFFFAOYSA-N 441.527 5.323 30 10 IKEE Cc1ccc(C)c(CN2COc3ccc4c(c3C2)OC(=Cc2cccc([N+](=O)[O-])c2)C4=O)c1 2322170883 YLSSFXIPJBOQAI-UHFFFAOYSA-N 442.471 5.180 30 10 IKEE Cc1ccc(CCN2COc3ccc4c(c3C2)OC(=Cc2ccc(N(C)C)cc2)C4=O)cc1 2322218188 LHWPKBFKOLJUDM-UHFFFAOYSA-N 440.543 5.072 30 10 IKEE Cc1ccc(CN2COc3c(cc4c(c3C)OC(=Cc3ccc5c(c3)OCO5)C4=O)C2)cc1 2322305596 IACNVHVXWJLLNY-UHFFFAOYSA-N 441.483 5.000 30 10 IKEE COc1cccc(C=CC(=O)c2cccc(Cl)c2)c1OCC(=O)Nc1cccc(C)c1C 2322528084 KXBBDEABVPTGMP-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OC(=O)c4cccc(OC)c4)cc(C)c3C2=O)cc1 2322724579 FRNXHXZSBMRNAI-UHFFFAOYSA-N 430.456 5.238 30 10 IKEE COc1cccc(C=CC(=O)c2cc(Cl)cc(C)c2OC)c1OCc1cccc(F)c1 2322942312 RPOFCLUSXHKKJQ-UHFFFAOYSA-N 440.898 6.280 30 10 IKEE Cc1ccccc1NC(=O)COc1ccccc1C=CC(=O)c1cc(Cl)ccc1Cl 2322999413 AYORWPFOYDJYSI-UHFFFAOYSA-N 440.326 6.215 30 10 IKEE C=CCOc1c(C=CC(=O)c2cc(Cl)ccc2Cl)cc(Br)cc1OC 2323003025 VBJZQAQZBZMJEP-UHFFFAOYSA-N 442.136 6.225 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc(OC(=O)C=Cc3ccc(F)cc3)c2C)C1=O 2323046813 YHPHQFDMOKIINH-UHFFFAOYSA-N 444.458 5.768 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OCC(=O)Nc1ccccc1C 2323160962 VKIMQJQJRJBMRJ-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc3c(c2C)OC(=CC=Cc2ccccc2)C3=O)cc1 2323201646 WJOIRWQTNNZJFI-UHFFFAOYSA-N 426.468 5.460 30 10 IKEE Cn1cc(C=C2Oc3cc(OC(=O)c4cccc5ccccc45)ccc3C2=O)c2ccccc21 2323481327 AODYSDZVOITQLE-UHFFFAOYSA-N 445.474 6.167 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCCc3ccccc3)c([N+](=O)[O-])c2)cc1 2323540478 GWBIMQZCFMJLDK-UHFFFAOYSA-N 429.516 6.455 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1C 2323559870 QESQYOUPQZIXBK-HXUWFJFHSA-N 429.516 5.156 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OCc1cccc2ccccc12 2323812832 QVRLNKXBFLRCFW-UHFFFAOYSA-N 442.942 7.367 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 2323813577 CJDHDQAQBWRDOQ-UHFFFAOYSA-N 427.327 6.867 30 10 IKEE Cc1c(OC(=O)CCc2cccs2)ccc2c1OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2323979088 ZGSBXDFTGOVNPC-UHFFFAOYSA-N 435.457 5.119 30 10 IKEE CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1cccc(C)c1)C2=O 2324325107 JBILWXKYOWYOHH-SFHVURJKSA-N 443.499 5.416 30 10 IKEE N#C[C@H](C(=O)C=Cc1ccc(Cl)cc1Cl)c1nc(-c2ccc3ccccc3c2)cs1 2324352212 UGQVCFMKHNQFKG-HXUWFJFHSA-N 449.362 7.160 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OCC(=O)Nc2ccc(C)c(C)c2)cc1 2324358545 AFEMICCWLHKTLV-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccccc1C 2324455955 AHEUHMPQIHZUOK-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OCc2cccc3ccccc23)cc1 2324504865 MCRNREVOTGVZLT-UHFFFAOYSA-N 442.942 7.285 30 10 IKEE Cc1ccc(OCCCOc2ccc3c(c2C)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2324547511 GYAGVOQIBVOOQP-UHFFFAOYSA-N 434.919 6.421 30 10 IKEE COc1cc(C=CC(=O)[C@@H](C#N)c2nc(-c3cc(C)ccc3C)cs2)cc(OC)c1OC 2324561068 KVBABOVCMHZTKM-LJQANCHMSA-N 448.544 5.342 30 10 IKEE Cc1ccc(NC(=O)CCOc2cc(C)c3c(c2)OC(=Cc2ccccc2C)C3=O)cc1 2325234689 SRDYQRKRSHCLOZ-UHFFFAOYSA-N 427.500 5.636 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)COc3cccc(OC)c3)c2)cc1 2325704937 YSTKVVYZBICYOM-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1cccc(C=CC(=O)c2ccc(OC)c(C)c2)c1 2325714496 FQEXDGNVYIFGPD-UHFFFAOYSA-N 446.499 5.283 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2)c(C)c1 2325736364 MPVNJSHWKQMRGH-UHFFFAOYSA-N 435.863 5.980 30 10 IKEE CCc1ccccc1OCC(=O)Oc1cccc(C=CC(=O)c2cc(OC)ccc2OC)c1 2325744407 GAXLGBOWTZBBLU-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OC(=O)CSc3ccccc3)c2)c1 2325744625 NLLBTRXXJUIFPX-UHFFFAOYSA-N 434.513 5.298 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)Cc2ccccc2)c1 2325756124 ZVMWLCMWFFUTJF-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC(=O)c2ccc3c(c2)OCO3)c1 2325765831 PRWMIBYZYYWZSB-UHFFFAOYSA-N 442.511 6.137 30 10 IKEE Cc1cccc(CSc2nnc(C)n2N=Cc2cc(Cl)c(OC(C)C)c(Cl)c2)c1 2326377336 MERDBQKOJAJOPU-UHFFFAOYSA-N 449.407 6.163 30 10 IKEE CC(C)COc1cccc(C=Nn2cnnc2SCc2ccc(Cl)cc2Cl)c1 2326697672 ZJURTDBSXPNXSY-UHFFFAOYSA-N 435.380 5.794 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccccn1 2327927424 OGUVZUPIUKIHNG-UHFFFAOYSA-N 447.995 5.595 30 10 IKEE COc1ccccc1C=Nn1c(SCc2ccc(Cl)cc2)nnc1-c1cccs1 2330599853 CJTTVBRUUTZNNU-UHFFFAOYSA-N 440.981 5.843 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC(C)C)NC(=O)C=Cc1cccc([N+](=O)[O-])c1 2330622017 XGNJLGWOKSRTPZ-QHCPKHFHSA-N 445.604 5.396 30 10 IKEE COc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)CCCC4)cc2)cc1 2330679691 XHPXQAGAPWJVMX-UHFFFAOYSA-N 442.511 5.455 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)c3ccccc3)c(OC)c2)cc1OC 2330736181 NIFUUSXKUGREMU-SFHVURJKSA-N 446.499 5.318 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3cccc(F)c3)c(OC)c2)cc1 2330742605 BXIZLUNFOAFYOH-UHFFFAOYSA-N 434.463 5.521 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)ccc1OC(=O)c1ccc(F)c(F)c1 2330765256 LAHRTBHQGBOUKX-UHFFFAOYSA-N 436.454 6.041 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)c(F)c3F)c(Cl)c2)c1 2330778410 VMCUBVUQIDHPQK-UHFFFAOYSA-N 446.808 5.881 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 2330824603 XAOJWTAJEBLLHH-UHFFFAOYSA-N 429.472 6.053 30 10 IKEE O=C(O)c1ccccc1C=Nn1c(SCc2cccc(Cl)c2)nnc1C1CCCC1 2331092602 AWCBIWPMINMJEX-UHFFFAOYSA-N 440.956 5.462 30 10 IKEE Cc1ccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C2CCCC2)cc1 2331098051 ZRBVWZSZEJTCHB-UHFFFAOYSA-N 445.419 6.725 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(F)cc1F 2331131690 ORAOJMOYJAWIRO-UHFFFAOYSA-N 442.845 6.132 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1 2331138409 HGDFCZOBKHCMNE-UHFFFAOYSA-N 436.891 5.619 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2Cl)cc1 2331165877 NYPVZHYTEHBPMX-UHFFFAOYSA-N 434.919 6.309 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(Oc4ccccc4)c3)cc2)c(C)c1 2331216140 MPUAKRYWDGRFGE-UHFFFAOYSA-N 448.518 7.211 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)c1ccc(F)c(F)c1 2331256760 YHIIFCJSGOOAAS-UHFFFAOYSA-N 442.845 6.051 30 10 IKEE COCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1cccc(C)c1 2331311357 VAASPAYWTCYPMJ-UHFFFAOYSA-N 435.380 5.257 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2cc(C)ccc2OC)cc1OC 2331351547 DLZWVBJNKRGPGN-UHFFFAOYSA-N 444.955 6.438 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C2CCCC2)c(Br)c1)c1ccc2c(c1)OCO2 2331440045 UVJPSDKRHAWMJD-UHFFFAOYSA-N 443.293 5.170 30 10 IKEE CCOc1cc(C=Nn2c(CC(C)C)nnc2SCc2ccc(Cl)cc2)ccc1O 2331468422 JWXYLOODVUTCEU-UHFFFAOYSA-N 444.988 5.409 30 10 IKEE CCCOc1ccccc1C=Nn1c(COC)nnc1SCc1cccc(Cl)c1 2331608955 YFQCKYWBLHEKAR-UHFFFAOYSA-N 430.961 5.041 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1cccc(Cl)c1 2331708658 GKYTYGMSMIBRJB-UHFFFAOYSA-N 439.799 6.536 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1)c1ccc(F)c(F)c1 2331859756 ZQBNOLPAUFAKEP-UHFFFAOYSA-N 433.237 6.387 30 10 IKEE CC1(C)OB(/C=C/c2ccc(N[C@H]3CCCCN(Cc4ccccc4)C3)nc2)OC1(C)C 2339537069 TTZDOUJBHKOGKT-TVXVBNPNSA-N 433.405 5.193 30 10 IKEE CC1(C)C[C@@H]1C#C[C@@H](N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2339566446 JTCXHNCIVBHWAX-OARDWFSCSA-N 441.571 5.255 30 10 IKEE Oc1ccc(Br)cc1/C=N/c1ccc(O)c(-c2nc3ccccc3s2)c1 1883777 MIGKQKBPMOFICQ-SSDVNMTOSA-N 425.307 5.888 30 10 IKEE C#CCOc1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)csc32)cc1OCC 21157852 UTCNMEYWJZABDN-SFHVURJKSA-N 437.948 5.953 30 10 IKEE COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2O)c1 21236839 XGWGRLFHAAIHJE-JWIGPWBQSA-N 442.515 5.389 30 10 IKEE CC[C@H](C(=O)Nc1sc2c(c1C#N)CCCC2)n1c(=O)cc(C)c2cc(C)cc(C)c21 32527471 CZUSPYSGVXMDNL-HXUWFJFHSA-N 433.577 5.329 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)C)cc2)c1 33422999 ORIMAULGTZXGSJ-XMMPIXPASA-N 445.515 5.580 30 10 IKEE C[C@@H]1Oc2ccccc2C=C1/C=C1/Oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc2C1=O 33532405 WIRILWPNQWSSRS-WJNWYLSZSA-N 441.439 5.497 30 10 IKEE C=CCC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C1CC1 36306442 AGPUBHZNHGVJCU-HSZRJFAPSA-N 431.580 5.479 30 10 IKEE C=CCc1ccccc1OCc1nc2ccccc2n1CCCOc1ccc(OC)cc1 39907113 QDZXJTYSEPYGSD-UHFFFAOYSA-N 428.532 5.822 30 10 IKEE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1/C(=N/Nc1ccc(F)cc1)CCC2 40823798 IOXNMXSKMKIKQS-MTDXEUNCSA-N 446.309 6.439 30 10 IKEE CCOc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccc(C)cc2)C4)cc1 41646263 UOPUWGYHSDSIRA-QFEZKATASA-N 441.527 5.670 30 10 IKEE O=C(Nc1ccccc1)[C@H]1CC(=O)N(Cc2cccs2)/C(=N/c2ccc(F)cc2)S1 59108912 GFICGGACJTVXAI-IPQBESIJSA-N 439.537 5.048 30 10 IKEE Fc1ccc(CSc2n[nH]c(N/N=C/c3c4ccccc4cc4ccccc34)n2)cc1 59310077 SBAAKWPCLVWFFS-VULFUBBASA-N 427.508 5.989 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc3nc(-c4ccccc4C)oc3c2)c1 62050170 JERBXRZGLAAIHR-UHFFFAOYSA-N 425.532 6.893 30 10 IKEE C=C(C)COc1ccc2ccccc2c1[C@H]1Nc2ccccc2C(=O)N1C[C@H]1CCCO1 66133068 IQGXRZWUWIMCQW-IBVKSMDESA-N 428.532 5.540 30 10 IKEE Cc1sc2ncnc(NCCCC(=O)Nc3ccccc3C#N)c2c1-c1ccccc1 71529307 YRNXRUOMRMALSX-UHFFFAOYSA-N 427.533 5.369 30 10 IKEE CCCOc1c(Cl)cc(/C=C/C(=O)Nc2ccccc2SCCC#N)cc1OC 97553831 LEIQIEWCAHXEOQ-MDZDMXLPSA-N 430.957 5.795 30 10 IKEE CCCCCCCCCCCCCCCCNCC(=O)Nc1cccc(O[C@@H](C)CC)c1 100055823 FEQVJEMDCPEZQM-VWLOTQADSA-N 446.720 7.873 30 10 IKEE COc1ccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccccc2C)cc1 169926678 IIXGSFGANKUOGL-VWLOTQADSA-N 427.500 5.106 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2cccc(OC)c2)cc1 169928846 FLQXYSDLURNGNE-QHCPKHFHSA-N 431.463 5.180 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1cccs1 169984119 GBIGWCWDNBBYGW-OAQYLSRUSA-N 448.931 5.974 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccccn1 169993990 QRTIHUSDLISVLU-FQEVSTJZSA-N 439.298 5.480 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccccc2)c1 170047103 DKHVINKYKAFUHI-DEOSSOPVSA-N 445.490 5.706 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(Cl)cc2)ccc1F 170059792 YWMKWZNZDKZKFN-OAQYLSRUSA-N 427.903 5.699 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)c1 170070401 PXJFXRKAKXHBDJ-JOCHJYFZSA-N 435.882 5.879 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1C 170087677 BQUDBKXVQZJTHU-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1c1ccc(F)c(F)c1 170088124 TUDBMDKLBXZFCG-HSZRJFAPSA-N 445.421 5.802 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccccc2C)cc1 170089244 JMSRZORDFZHJLE-XMMPIXPASA-N 445.490 5.624 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1cccc(OC)c1 170120507 HVIRYXPBFQLBCE-NRFANRHFSA-N 439.895 5.473 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccccc1OC(C)C 170150847 QJSNYDYDJJGQMI-HSZRJFAPSA-N 433.504 5.598 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@H]1c1ccccc1OC(C)C 170151214 SZZQTVOPCKWBAR-OAQYLSRUSA-N 443.927 5.124 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2OC)[C@@H]1c1cccc(OC(C)C)c1 170153167 UZCVAVIBMQHWKU-QHCPKHFHSA-N 437.536 5.169 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccccn2)cc1Cl 170170153 QQNSWFSDFPMJOO-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1ccccc1F 170253359 HPQPHHRAWZGGPA-NRFANRHFSA-N 441.886 5.994 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 170266347 HGMFSZDAYHGKBD-XMMPIXPASA-N 445.515 5.408 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccco2)cc1 170282698 BLVOBKJBZQDDCN-QHCPKHFHSA-N 431.488 5.468 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2sccc2C)cc1C 170319735 WPAVBVMOCQLTMP-OAQYLSRUSA-N 439.577 5.675 30 10 IKEE CC[C@H](C)Oc1c(/C=C2\SC(=Nc3ccccc3)N(CCOC)C2=O)cccc1OC 252619145 LNIFIALKAWDNAG-RYUSHCTJSA-N 440.565 5.123 30 10 IKEE COc1ccc(-n2c(-c3ccc(F)cc3)cc(C(C)=NOCc3ccccc3F)c2C)cc1 254821222 WDDZGOCDIUHQSF-UHFFFAOYSA-N 446.497 6.680 30 10 IKEE CCCCCCCCCCCCCCCCCCCCCC(=O)OS(=O)(=O)CCN 514282060 IFIMHCGCPOBRIK-UHFFFAOYSA-N 447.726 6.640 30 10 IKEE CCCCOc1ccc([C@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526521074 KRGPUXPUGWNYPZ-SANMLTNESA-N 438.527 6.103 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3Cl)[C@@H]2c2cccs2)c1 526521566 MXNLIFNCCIMNHD-IBGZPJMESA-N 427.312 5.984 30 10 IKEE CCOc1ccc(/C=N\n2c(CC)nnc2SCc2cccc(Cl)c2)cc1OC 526811106 BHLJMBLULGPFBY-QRVIBDJDSA-N 430.961 5.076 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccc(OC(C)C)cc1 526817601 PUMLRSQKBLHWOS-MSXFZWOLSA-N 432.952 5.595 30 10 IKEE N#Cc1ccc(CN(C(c2ccccc2)c2ccccc2)S(=O)(=O)c2cccs2)cc1 586162914 ALUFXYQBEYNGIK-UHFFFAOYSA-N 444.581 5.600 30 10 IKEE N#Cc1cccc(NC(=O)Nc2cccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c2)c1 586729505 QJWPTXZDBUWCSY-UHFFFAOYSA-N 440.381 5.353 30 10 IKEE CCCCCCCCC[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 698490361 UBWVKGVTNFXUEC-FQEVSTJZSA-N 437.422 7.223 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@H](C#N)c1cccc(Br)c1F 698858976 XNUPMHCJMYLHNA-KRWDZBQOSA-N 425.342 6.113 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@H](C#N)c1ccc(Br)cc1F 698968844 WTBSTTNTZLWZDB-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE Cc1nc([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)sc1Br 719328373 UBNFFIAQDGKMKU-CQSZACIVSA-N 428.396 5.739 30 10 IKEE CCN[C@H](CC#CC(C)(C)C)c1ccc(I)c(Br)c1 721648148 RUXACSXRIZMQCU-OAHLLOKOSA-N 434.159 5.144 30 10 IKEE C/N=C1/S/C(=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)C(=O)N1C 1084449896 XHEPKAKKBFBYBJ-CZNZVWFISA-N 443.775 5.379 30 10 IKEE O=C1NC(=NN=Cc2ccccc2OCc2ccccc2)S[C@H]1Cc1cccc(Cl)c1 1772742189 FOVQXWYRORLACI-QFIPXVFZSA-N 449.963 5.083 30 10 IKEE CC(C)(C)c1ccc(C=NN=C2NC(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)S2)cc1 1772742514 VPIGCBIMFXKSMK-GOSISDBHSA-N 433.499 5.167 30 10 IKEE Cc1c(C(=O)Oc2cccc3ccccc23)oc2c1C(=NNc1ccc(F)cc1)CCC2 1772750437 AABNTCRTEQGPGW-UHFFFAOYSA-N 428.463 6.252 30 10 IKEE Cc1c(C(=O)Nc2cccc3cccnc23)oc2c1C(=NNc1ccc(F)cc1)CCC2 1772750772 KZUOSMFZCPITLH-UHFFFAOYSA-N 428.467 5.680 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)CCCOc1c(C)cccc1C 1861685263 ZYWLTJJDBKVCHF-HHHXNRCGSA-N 446.676 6.004 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)COc1ccccc1OC 1861784688 NGLGDAHXVLGLJF-NRFANRHFSA-N 434.621 5.006 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc(OCCC)cc2)cc1 1862396332 DMCBEJZDONCOHH-VWLOTQADSA-N 449.591 6.052 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccccc1Cl 1862403527 YGFLOZGWESSYGJ-OAQYLSRUSA-N 427.928 5.426 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1c(Cl)cccc1Cl 1862415631 BUAMYKWXLDURAA-SFHVURJKSA-N 440.273 5.506 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1Cl)c1ccc(F)cc1F 1862416900 LTTCNLGBYQWFQF-NRFANRHFSA-N 439.845 5.397 30 10 IKEE COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCCCCC2)ccc1O 1862480945 SHNXKZSJTHSGAK-XMMPIXPASA-N 449.547 5.400 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2cccc(OCc3ccccc3)c2)cc1 1862483816 IXMROPCLESLRJW-RUZDIDTESA-N 439.511 5.315 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccccc1F 1862490128 OFACULRVEMDRJL-DEOSSOPVSA-N 445.490 5.230 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2c(F)cccc2Cl)cc1 1862518339 HOPPOXADJVUHIN-HXUWFJFHSA-N 429.875 5.009 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2c(F)cccc2Cl)cc1 1862518707 QXIFWNANVQIXLK-HXUWFJFHSA-N 431.891 5.255 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2ccccc2Br)cc1 1862540008 DCWKBORCYNHFLO-JLTOFOAXSA-N 442.353 5.388 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(O)cc1 1862544575 GTZXJBPGBDQFAO-LAMXGVLKSA-N 445.559 5.428 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc(F)c1 1862649716 FCMOEGOCKDEQPH-DEOSSOPVSA-N 447.506 5.372 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccc1[N+](=O)[O-] 1862654363 MESLNUDMZWRGNJ-QFIPXVFZSA-N 430.460 5.126 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(OCCCC)cc1 1862657364 DBQDXNPHNDNPQY-RUZDIDTESA-N 441.527 5.783 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(O)cc2)cc1 1862663353 SIRLRBOJQUNFAU-XMMPIXPASA-N 445.490 5.433 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2cccs2)cc1 1862663402 QZRXEMBSOZZOMN-DEOSSOPVSA-N 445.584 6.212 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(C(=O)O)cc2)cc1 1862663556 ATMOCCUNLOFGBL-JOCHJYFZSA-N 433.504 5.029 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862718097 STPIRGBAVVDEFL-MZNJEOGPSA-N 429.516 5.615 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C(=O)N1[C@H](C)c1ccccc1 1862747673 USJARXVANWDEKX-HXOBKFHXSA-N 442.471 5.243 30 10 IKEE CSc1cccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccccc3Cl)C2=O)c1 1863081322 SCKPHSPTOIADIH-UHFFFAOYSA-N 445.931 5.330 30 10 IKEE N#Cc1ccccc1N1C(=O)C(Nc2ccccc2C(F)(F)F)=C(c2cccs2)C1=O 1863120160 ZOOWJLKWROXHEQ-UHFFFAOYSA-N 439.418 5.035 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCOC(C)C)=C(c2ccccc2F)C1=O 1863644716 NISXNGTYGUEMLY-UHFFFAOYSA-N 432.580 5.061 30 10 IKEE CCCCCCCCn1cc(OCCC)c(=O)cc1CSCc1nc2ccccc2[nH]1 1870180093 PNBAKXGVZUTZJE-UHFFFAOYSA-N 441.641 6.307 30 10 IKEE CCCCCCCCn1cc(OCCCC(=O)OCC)c(=O)cc1CSC(C)C 1870242316 ZZWSSFMTYANWNJ-UHFFFAOYSA-N 425.635 5.573 30 10 IKEE CCCCCCCOc1cn(Cc2cccc(C)c2)c(CSc2ccccc2)cc1=O 1870251747 TXTYPMZDKRMMNR-UHFFFAOYSA-N 435.633 6.847 30 10 IKEE C=CCOc1cn(C[C@H](O)c2ccc(Cl)cc2)c(CN(CCCC)CCCC)cc1=O 1870387097 PXKDMJGOKFQHJP-DEOSSOPVSA-N 447.019 5.202 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc(F)c2)cn1Cc1ccccc1C 1870614496 OVCXTBZNJKOHOI-UHFFFAOYSA-N 432.539 5.097 30 10 IKEE CCOCCCN1COc2c(cc3c(c2C)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)C1 1871356162 XUTIWUBXXBZSBP-UCQKPKSFSA-N 435.564 5.487 30 10 IKEE Cc1c(OC(=O)C(Cl)(Cl)Cl)ccc2c1O/C(=C\c1cccc(Cl)c1)C2=O 1871366015 NQVFUYGWVOOBAO-ZSOIEALJSA-N 432.086 5.540 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)/C=C/c4ccc(C)cc4)c3C)C2=O)cc1 1871366772 LLNFJEQHGZVECN-QJYQMIDQSA-N 426.468 5.547 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccnc2)C3=O)c(OCC)c1 1871386822 OXOBMQUVJLUJJN-FMCGGJTJSA-N 445.471 5.023 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccccc1)C2=O 1871402536 VYKFNAPVPDVVMK-VKINRBECSA-N 441.527 5.888 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccc(Cl)cc4)c3C)C2=O)o1 1871413777 BCLJIYXGABSMLE-RANIVTSPSA-N 437.879 5.572 30 10 IKEE Cc1c(O[C@H](C)C(=O)Nc2ccc(C#N)cc2)ccc2c1O/C(=C\c1ccccc1F)C2=O 1871436134 NJWLEDMUHCGSME-GEWRUKCFSA-N 442.446 5.028 30 10 IKEE Cc1cc(OCC(=O)NCc2ccco2)cc2c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O2 1871444829 ADLSACLGRVSNEH-FMCGGJTJSA-N 431.488 5.023 30 10 IKEE COc1ccc(CCOc2ccc3c(c2)O/C(=C\c2cn(C)c4ccccc24)C3=O)cc1 1871448451 PYLITXWDVGGLQW-YSMPRRRNSA-N 425.484 5.425 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)CCCC 1872491593 BWSQWSZBGXRMBM-HXUWFJFHSA-N 429.026 5.010 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1cc(C)ccc1C 1872529621 IMWCSEXINMYONN-QHCPKHFHSA-N 442.625 5.294 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2F)C(=O)N([C@@H]2CCCC[C@@H]2C)C1=O 1873029527 KTJVJFSKFLXSPU-NZQKXSOJSA-N 442.619 6.215 30 10 IKEE CCCCCCCCNC1=C(c2c(C)cc(C)cc2C)C(=O)N([C@@H](C)c2ccccc2)C1=O 1873121268 VMDWBWZXVLOCTK-QHCPKHFHSA-N 446.635 6.403 30 10 IKEE CCCCCCCCCCNC1=C(c2cccs2)C(=O)N(CCCCCCCC)C1=O 1873155880 KXVWQAAYMSHKJR-UHFFFAOYSA-N 446.701 6.919 30 10 IKEE Cc1ccc(COc2cccc(/C=N/Nc3oc([C@H]4C[C@H]4c4ccccc4)nc3C#N)c2)cc1 1873470764 QDYMUUHJTIYEGB-JTYSEGSDSA-N 448.526 6.151 30 10 IKEE C=CCn1c(C(=O)N(CCC)CCCC)cc2c(N(CCCC)CCCC)ncnc21 1873562101 NDSWUTYSNFNOKE-UHFFFAOYSA-N 427.637 5.676 30 10 IKEE C=CCn1c(C(=O)NCCCCCCCCCC)cc2c(N3CCCCC3)ncnc21 1873595282 WHKYAWFEZFEWIQ-UHFFFAOYSA-N 425.621 5.478 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(N3CCCCC3)cc1)n2CCCC 1873612895 NPLDFYGSHLEWIA-UHFFFAOYSA-N 432.572 5.072 30 10 IKEE C=CCn1c(C(=O)Nc2cc(C)cc(C)c2)cc2c(N3CCc4ccccc4C3)ncnc21 1873674403 PVLOWGQZXGFKTE-UHFFFAOYSA-N 437.547 5.049 30 10 IKEE CCCSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1c[nH]c2ccccc12 1874261083 HMJGUKJBGXQADN-BRJLIKDPSA-N 427.480 5.001 30 10 IKEE COc1ccccc1CCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1ccco1 1874312008 ZOQPSDHHQRLLCE-PCLIKHOPSA-N 432.549 5.148 30 10 IKEE Cc1ccc(C)c(CSc2nnc(COc3cccc(C)c3C)n2/N=C/c2ccco2)c1 1874323360 LPVGKDBGCYTZAE-VULFUBBASA-N 446.576 5.858 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CCc2ccc(C)c(C)c2)nnc1SCC(=C)C 1874329776 FGIDPAYUYPRHFT-WPWMEQJKSA-N 446.620 5.795 30 10 IKEE Cc1ccccc1CSc1nnc(CCOc2ccccc2)n1/N=C/c1cccc(O)c1 1874344945 NACUNEYAPRTILU-YZSQISJMSA-N 444.560 5.088 30 10 IKEE Cc1ccccc1CSc1nnc(-c2cccs2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874421206 ZYEMABFZTNJQMY-LPYMAVHISA-N 435.534 5.398 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2-c2ccccc2)c(F)c1 1874428489 LJVNBGPDWJQFEE-LGJNPRDNSA-N 440.906 6.051 30 10 IKEE CC(C)(C)c1nnc(SCc2ccccc2F)n1/N=C/c1ccc(Cl)cc1Cl 1874484369 RUDBCCWUOWCARP-BHGWPJFGSA-N 437.371 6.196 30 10 IKEE COc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2ccccc2Cl)cc1OC 1874489941 SLWSARLEQVMIDP-ZMOGYAJESA-N 444.988 5.322 30 10 IKEE COc1ccc(OC)c(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CCC2)c1 1874496139 WRMMMZAJOPCURY-ZMOGYAJESA-N 442.972 5.391 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874505440 XWQAPHFBXYEKIQ-FSJBWODESA-N 448.379 5.150 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(C)C)n2/N=C/c2ccc(Cl)cc2Cl)c1 1874513912 XFGLXYVNKOSNKB-BHGWPJFGSA-N 433.408 6.500 30 10 IKEE CCCOc1ccc(/C=N/n2c(S)nnc2CCc2cccc3ccccc23)cc1OC 1874567502 ASKLHDNBISBARM-YZSQISJMSA-N 446.576 5.185 30 10 IKEE O=C(/C=C/c1c(OCc2ccccc2Cl)ccc2ccccc12)c1cccc([N+](=O)[O-])c1 1874570063 NJYIJNVDUGFMQK-BUHFOSPRSA-N 443.886 6.877 30 10 IKEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1ccccc1Cl)NC1CCCCC1 1874574710 AWBSACNMTGEMGQ-ZRDIBKRKSA-N 432.347 5.717 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Br)ccc2OCc2ccccc2)cc1 1874577679 ABTNWISSHVDULH-GXDHUFHOSA-N 437.333 6.323 30 10 IKEE Cc1ccc(C(=O)/C=C/c2c(OCC(=O)NCc3ccco3)ccc3ccccc23)c(C)c1 1874578847 JZTGYQIKILSKBZ-OUKQBFOZSA-N 439.511 5.641 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCc2ccccc2F)cc1F 1874582663 ZWHKTOMIITUTKJ-VQHVLOKHSA-N 444.861 6.111 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccccc2/C=C/C(=O)c2c(C)c(C)cc(C)c2C)c1 1874587029 QTXQWIMQZMREJE-VAWYXSNFSA-N 441.571 6.451 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccccc1OCC(=O)Nc1ccccc1C 1874589452 MTTQGVMDEFXGIM-OUKQBFOZSA-N 449.934 5.879 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)c1OCc1cccc(Cl)c1 1874590886 XAFHBFSXBIQRCT-FYWRMAATSA-N 448.990 7.430 30 10 IKEE O=C(COc1cccc(/C=C/C(=O)c2ccc3ccccc3c2)c1)Nc1ccccc1F 1874593104 SBZKSKVUAOWQII-NTCAYCPXSA-N 425.459 5.893 30 10 IKEE O=C(/C=C/c1cccc(OCc2c(F)cccc2Cl)c1)c1cc(Cl)ccc1Cl 1874601214 ZEOPVUUSJGKRMH-JXMROGBWSA-N 435.709 7.261 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(OC)c1OCc1ccc(C)cc1 1874602404 KGBOQJJZCMZEEN-NTCAYCPXSA-N 438.523 6.641 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OCc1ccc(C)cc1 1874629770 TXBUBCJXQOEPSU-WYMLVPIESA-N 428.572 7.103 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc(Br)c1OC(C)=O 1875105493 XTAYWVMQYVEHMJ-ZZXKWVIFSA-N 444.108 5.586 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc(C)cc(C)c3)c(OC)c2)cc1C 1875108670 ACWSVHFUCSVYAT-RMKNXTFCSA-N 430.500 5.744 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 1875118528 BEJCVSPWROWNKK-WUXMJOGZSA-N 437.835 5.372 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C2CCCC2)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 1875132359 BTOPNLKXACEDGN-WEVVVXLNSA-N 434.275 5.893 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2OC)c1 1875133930 GCWADGTZTKUVSW-JXMROGBWSA-N 446.499 5.445 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 1875136589 QSWPDBPOHDYVNP-VZUCSPMQSA-N 441.310 6.426 30 10 IKEE COc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2)cc1 1875156304 SUMNMSTTZUCRGE-UBKPWBPPSA-N 430.500 5.699 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccc(Cl)cc3)cc2)c(C)c1C 1875167551 GXOLWZBFTLQUIS-OVCLIPMQSA-N 448.946 6.400 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)COc3c(C)cccc3C)cc2)c(C)c1 1875182529 HXOPNBICEZACHN-SDNWHVSQSA-N 428.528 6.109 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3)c([N+](=O)[O-])c2)cc1C 1875187682 FPBHYKJFPOOGIE-PKNBQFBNSA-N 431.444 5.336 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)COCc2ccccc2)cc1 1875192903 JNNBYQQQQBBYNR-UKTHLTGXSA-N 436.891 5.367 30 10 IKEE C[C@@H](C#N)c1cccc(C(=O)N2CCC(c3ccc4cc(-c5ccccc5)cnc4n3)CC2)c1 1891462328 PVGGHUSCXWPFDF-FQEVSTJZSA-N 446.554 5.944 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1ccc(NC(=O)OC(C)(C)C)cc1Cl 1899822897 YVIABZQMWKJXQH-JOCHJYFZSA-N 430.976 6.111 30 10 IKEE COc1cccc([C@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)c1Br 1927306622 UJMZEICLCGWTDJ-KRWDZBQOSA-N 431.330 5.460 30 10 IKEE C=C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)(c1ccccc1)[C@@H](CC)C(=O)O 1927430494 ZZWDVPZEEQFBKL-LBNVMWSVSA-N 441.527 5.717 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc([C@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)c1 1929711145 PVRWMYBXKULVDH-NRFANRHFSA-N 437.540 6.036 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 1949123732 WQBBCCGGHWBNMQ-YDIMBITNSA-N 433.593 5.238 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@@]1(C#N)CCCN(Cc2ccccc2)CC1 1997811247 CYXMRJSIKLTFPV-VWLOTQADSA-N 439.987 6.030 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CC2)CC12CCCCC2 2018645537 MMCGGXBYYBTPTM-DEOSSOPVSA-N 433.593 5.382 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1 2032042458 GJNREELXPQOTJE-NNPDTBDGSA-N 441.572 5.276 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@]2(C)CCN2C(=O)OC(C)(C)C)c1 2045190600 KXJUSCMUDZXDTJ-BJKOFHAPSA-N 445.560 5.118 30 10 IKEE Cc1ccc([C@H](n2nc(C(C)(C)C)c(C#N)c2I)C2(C)CC2)cc1C 2078991894 GHLTUTIHAZABFZ-SFHVURJKSA-N 447.364 5.663 30 10 IKEE CC(C)c1nn([C@H](c2ccc(C(F)(F)F)cc2)C2CCC2)c(Br)c1C=NO 2079848035 BWAGVEBDWKDMJK-KRWDZBQOSA-N 444.295 5.985 30 10 IKEE CC(C)c1ccc([C@H](C)n2nc(C3CCC3)c(C=NO)c2I)cc1 2079938959 IZXVMHMVKNXTCD-ZDUSSCGKSA-N 437.325 5.296 30 10 IKEE CC[C@@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(C)(C)C)c(C#N)c1Br 2079957712 LYNVOLZBZIBMDF-AWEZNQCLSA-N 432.259 5.972 30 10 IKEE COc1ccc([C@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C2(C)CC2)cc1C 2079984819 LLWHCZGOKXAGRZ-SFHVURJKSA-N 432.362 5.212 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Cl)cc(Br)c1 2081567557 CUTJFTUOPVSIIW-SJORKVTESA-N 431.802 5.613 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@H]2Nc2ccc(Br)cc2C#N)C1 2156236683 NAYXPKNEAQDNRU-NQIIRXRSSA-N 434.378 5.302 30 10 IKEE N#Cc1c(F)cc(Br)cc1N[C@H]1CCN(Cc2ccccc2)CC12CCC2 2163698118 MOAMNSQCUUYZRF-NRFANRHFSA-N 428.349 5.317 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@]2(CNc3cc(Br)cc(C#N)c3)CCC[C@H]12 2165303353 MCJXGJIEWZEOFH-RXVVDRJESA-N 434.378 5.302 30 10 IKEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(Cc2ccc(Cl)c(Br)c2F)CC1 2201805287 JVVJOCFWKGMNAE-UHFFFAOYSA-N 444.581 5.395 30 10 IKEE CCCN[C@H](C#CC(C)(C)C)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2218399482 FFFQGXTYFJZPOT-KCWPFWIISA-N 442.644 5.248 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1sc(C)c(C)c1Br 2229310411 YVRPWMDFSGPAMR-WBVHZDCISA-N 443.451 5.475 30 10 IKEE Cc1ccc(C(=O)C#Cc2ccccc2Br)c(NC(=O)OC(C)(C)C)c1C 2235719041 ADMGIFUGXIDUPJ-UHFFFAOYSA-N 428.326 5.647 30 10 IKEE C=CCCCC[C@H](NCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237403054 QQQWXGQOOYZDJS-VQTJNVASSA-N 439.438 5.609 30 10 IKEE C#CCCN(C(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCC1 2243905500 PHHPKTDSLYTHHJ-UHFFFAOYSA-N 444.575 5.098 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)c1cccc(Br)c1Cl 2275129902 AZJXRTBDJGQLBW-HXUWFJFHSA-N 439.733 5.408 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@H]2Nc2c(Br)cccc2C#N)C1 2285239922 JNJHZHQWHNAHTK-UTKZUKDTSA-N 434.378 5.302 30 10 IKEE CCOC(=O)C1=C(NC(=O)c2ccccc2C)SC(=Cc2cccc3ccccc23)C1=O 2293308723 CBRLGKFIWQUIKP-UHFFFAOYSA-N 443.524 5.010 30 10 IKEE CCCCc1ccc(-n2c(C)cc(C=C3SC(=Nc4ccccc4)NC3=O)c2C)cc1 2294010974 VOHVSKPGZYWERK-UHFFFAOYSA-N 429.589 6.328 30 10 IKEE CN[C@@H](C#Cc1ccccc1Cl)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2295223574 DLFOCDRLXIVZEM-IBGZPJMESA-N 449.776 5.762 30 10 IKEE CN(CC[C@H](Nc1ccc(C#N)c(Br)c1F)C(C)(C)C)C(=O)OC(C)(C)C 2296004488 YHEBCZRDBHMSAN-HNNXBMFYSA-N 442.373 5.543 30 10 IKEE CCC[C@@H](CCNC(=O)OC(C)(C)C)CC[C@H](O)C#Cc1cccc(Br)c1 2296227120 MCCFPFQNPZYGEG-XLIONFOSSA-N 438.406 5.273 30 10 IKEE CC(C)(C)OC(=O)NC1CCC(CCC(=O)C#Cc2cccc(Br)c2)CC1 2296233524 YHURKYPYUQPWMF-UHFFFAOYSA-N 434.374 5.233 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@H](C(C)C)N(C)C(=O)OC(C)(C)C 2296287886 AFIXHKVGENDHFX-UXHICEINSA-N 437.422 5.060 30 10 IKEE CCN1C(=O)C(=C2Sc3ccc(OC)cc3N2CC)SC1=Nc1ccc(C)cc1C 2297604784 WYZPCDUQQNAHHL-UHFFFAOYSA-N 439.606 5.696 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C 2299161484 LJOUBSRLCIYBJI-RBUKOAKNSA-N 429.561 5.274 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H]3C[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)cc1 2308988589 YBUDTMGADNFLID-JMQJIOGXSA-N 441.572 5.322 30 10 IKEE CCOC(=O)[C@H](Oc1ccc2c(c1)OC(=Cc1ccccc1OCC)C2=O)c1ccccc1 2314438132 IPKFJFXMBSCISJ-AREMUKBSSA-N 444.483 5.385 30 10 IKEE Cc1ccc(COc2cccc(C=C3SC(=Nc4c(C)cccc4O)NC3=O)c2)cc1 2314557290 WXSLTIOLHYIPPI-UHFFFAOYSA-N 430.529 5.480 30 10 IKEE CC#CCN(C[C@@H](NCC)c1ccc(Br)c(Cl)c1)C(=O)OC(C)(C)C 2316101218 SVEYNGDWHSEHIE-QGZVFWFLSA-N 429.786 5.014 30 10 IKEE CCCCC[C@H](CC)N1COc2ccc3c(c2C1)OC(=Cc1ccc(C(=O)OC)cc1)C3=O 2322072024 SFUZMSVQTYROBV-FQEVSTJZSA-N 449.547 5.600 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2cc(C)ccc2C)cc1OC 2322350457 WORZVWQAZFJMNC-UHFFFAOYSA-N 432.516 5.804 30 10 IKEE O=C(C=Cc1c(OCc2ccccc2)ccc2ccccc12)c1ccc(Br)cc1 2322420851 BYWAQHVRBUSIIC-UHFFFAOYSA-N 443.340 7.077 30 10 IKEE CCc1ccc([C@@H](C)N2COc3c(cc4c(c3C)OC(=Cc3ccccc3F)C4=O)C2)cc1 2322455469 KXRFPOBFZIWIDA-GOSISDBHSA-N 443.518 6.226 30 10 IKEE CCOC(=O)c1ccc(COc2c(C=CC(=O)c3ccc(C)cc3C)cccc2OC)o1 2322579846 ORBBYDNYBUBMNQ-UHFFFAOYSA-N 434.488 5.557 30 10 IKEE CC(=O)Nc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)c1 2322961394 JIFNIJJTDPPRQV-UHFFFAOYSA-N 447.874 5.442 30 10 IKEE CC(C)c1ccc(C=C2Oc3cc(OC(=O)c4ccc(F)c(F)c4F)ccc3C2=O)cc1 2323126653 BMQNIYYVDGYHKP-UHFFFAOYSA-N 438.401 6.063 30 10 IKEE CCOc1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C)cc2)C3=O)cc1 2323511794 QQNXJNJFOKBSKI-UHFFFAOYSA-N 440.495 5.937 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)cc(Br)c1OCCO 2323529469 CYOXDWSOIRKEST-UHFFFAOYSA-N 446.124 5.032 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OC(=O)CCOc4ccccc4)c3C)C2=O)cc1 2323686599 STNQWDJXXMWVES-UHFFFAOYSA-N 428.484 5.548 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OC(=O)C=Cc4ccccc4)cc(C)c3C2=O)cc1 2323750295 ZEUMFYJSKGUHOZ-UHFFFAOYSA-N 426.468 5.629 30 10 IKEE CC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)c1 2323896796 XTVHOFOQWCZPMJ-UHFFFAOYSA-N 434.831 5.101 30 10 IKEE Cc1c(OC(=O)CCc2cccs2)ccc2c1OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2323979045 WTHQTIXGMKHOMC-UHFFFAOYSA-N 435.457 5.119 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2C)C3=O)cc1Cl 2324352075 GPEHKLPBFJJJNU-KRWDZBQOSA-N 447.918 5.979 30 10 IKEE COc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1cccc(C)c1)C2=O 2324472329 ABMQWAKUBCEQQQ-QGZVFWFLSA-N 429.472 5.026 30 10 IKEE COc1ccc(C=C2Oc3cc(OCc4ccc(C#N)cc4)cc(C)c3C2=O)cc1OC 2324757033 SOTGLYZDRJQAAP-UHFFFAOYSA-N 427.456 5.079 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(C(C)C)cc2)ccc2c1OC(=Cc1ccc(F)cc1)C2=O 2325318542 BLAOFPRSOPFDAZ-UHFFFAOYSA-N 445.490 5.891 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3ccc(Cl)cc3)c2)cc1 2325711582 ARJREEZEZVTUFX-UHFFFAOYSA-N 448.946 6.563 30 10 IKEE Cc1cccc(COc2ccc3c(c2C)OC(=Cc2cc(Cl)cc4c2OCOC4)C3=O)c1 2325721116 OZSPMTIMCABHLV-UHFFFAOYSA-N 448.902 6.019 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cccc(OC(=O)c3ccc(-c4ccccc4)cc3)c2)c1 2325740398 XBTPPULMJLBXHW-UHFFFAOYSA-N 432.519 7.086 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3cc(C)ccc3C)c2)c(C)c1C 2325755522 UBDHCYKKYANKOA-UHFFFAOYSA-N 428.528 5.973 30 10 IKEE CCCCCCCOc1ccccc1C=Nn1c(CC)nnc1SCc1ccccc1 2326219140 UNALKPJUFYUSRJ-UHFFFAOYSA-N 436.625 6.364 30 10 IKEE Fc1ccc(F)c(OCc2nnc(SCc3ccccc3F)n2N=Cc2ccco2)c1 2327465208 OEPGDDOVAAFOLM-UHFFFAOYSA-N 444.438 5.042 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2Cl)n1N=Cc1c[nH]c2ccccc12 2327649277 BGWYZQKSTQDIGB-UHFFFAOYSA-N 437.956 5.542 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1cccc(OC)c1OC 2328179323 RKCDLWUTVXYLAM-UHFFFAOYSA-N 442.629 5.920 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3cccs3)n2N=Cc2ccccc2O)c1 2329663627 KAVTVLWXHQJLRX-UHFFFAOYSA-N 448.617 5.622 30 10 IKEE Fc1ccc(Cc2nnc(SCc3ccccc3F)n2N=Cc2cccc(F)c2)cc1 2329837405 APXXCVBKIQFONS-UHFFFAOYSA-N 438.478 5.461 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2ccccc2O)cc1 2329938302 GGMBSLVIKYCXKX-UHFFFAOYSA-N 428.561 5.366 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(C)c3)n2N=Cc2cccc(C)c2)cc1 2329947232 NGPINMMOSPFBBD-UHFFFAOYSA-N 426.589 5.969 30 10 IKEE COC(=O)c1ccc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccccc2)cc1 2330270032 JTYZVCXGZMHVCO-UHFFFAOYSA-N 448.592 5.362 30 10 IKEE Cc1ccsc1C=Nn1c(SCc2cccc3ccccc23)nnc1-c1ccccc1 2330683733 PROAWWIZLZVOCJ-UHFFFAOYSA-N 440.597 6.643 30 10 IKEE CCOc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2cc(C)ccc2C)cc1 2330848240 NFXJWTKTCFCIMN-UHFFFAOYSA-N 436.625 6.057 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(C)c3)cc2)c1 2330854818 FILYOICONBXUQQ-UHFFFAOYSA-N 446.499 5.065 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)ccc1OC(=O)Cc1ccc(C)c(C)c1 2330939150 MNIZRRFQMUZPQM-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc(C=CC(=O)c3cccc(Cl)c3)cc2)cc1 2331116109 KWHZHCKNGLBGIX-IBGZPJMESA-N 448.946 6.732 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(C=CC(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] 2331273568 QQSJHWBHLSJSPD-UHFFFAOYSA-N 445.471 5.346 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)cc(Cl)c1OC(=O)[C@@H]1CCCO1 2331362871 WGGVJBBUZDLJJV-NRFANRHFSA-N 444.911 5.036 30 10 IKEE Cc1cnc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2Cl)cn1 2331414429 FZOLELQBRLPKAH-UHFFFAOYSA-N 434.923 5.851 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(Br)c1OC(=O)CC 2331505760 MZDRLODOTVWPRR-UHFFFAOYSA-N 445.353 6.183 30 10 IKEE CCCOc1c(C=Nn2c(SCc3ccccc3)nnc2C2CCC2)cccc1OC 2331520815 JHJBRHCYLGNJQR-UHFFFAOYSA-N 436.581 5.518 30 10 IKEE COCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(Cl)c(Cl)c1 2331579897 WNADWLIIRWQVAX-UHFFFAOYSA-N 441.771 5.559 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(SCc2cccc(F)c2)nnc1C(C)C 2331688811 CWBXLBQADJYFMC-UHFFFAOYSA-N 434.540 5.877 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc(Cl)c1OC(=O)CC 2331798547 XUXOFKVKJOIZIB-UHFFFAOYSA-N 428.956 6.556 30 10 IKEE CC1(C)OB(/C=C/c2ccc(N3CC[C@]3(C)CCOCc3ccccc3)nc2)OC1(C)C 2339540792 BMALSBJBPWDWHE-CPAAIMDTSA-N 434.389 5.302 30 10 IKEE CC1(C)OB(C=Cc2ccc(Nc3cccc(I)c3)nc2)OC1(C)C 2339576256 GDCIHWWPASJPEV-UHFFFAOYSA-N 448.113 5.074 30 10 IKEE C[C@H](Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)c1cnn(Cc2ccccc2)c1 2339589451 XQFLLUPEIJITQV-IBGZPJMESA-N 430.361 5.144 30 10 IKEE Cc1cccc(NC(=O)OC(C)(C)C)c1C(=O)N1CC[C@](C)(B2OC(C)(C)C(C)(C)O2)C1 2342478220 UDEZNGSZDZAYIM-DEOSSOPVSA-N 444.381 5.040 30 10 IKEE CN[C@@H](C#CC1(OC)CCCC1)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2363532426 FTYFKIIDTAZPGP-SFHVURJKSA-N 437.378 5.019 30 10 IKEE CCOc1cc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(CC)cc2)C3)cc(Cl)c1O 20884502 YQJZGAQVMFIELZ-SJLPKXTDSA-N 439.939 5.011 30 10 IKEE Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2coc3ccccc3c2=O)cc1 21226626 KIRBILXTLUCEEX-HMILPKGGSA-N 448.522 6.081 30 10 IKEE Cc1ccc2c(CSc3nc(C(C)(C)C)cc(C(F)(F)F)c3C#N)cc(=O)oc2c1C 27750931 NTYPUVLLDWVOIO-UHFFFAOYSA-N 446.494 6.285 30 10 IKEE O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)c1ccc(NC(=O)c2ccccc2)cc1 28356960 VWALHFJDLAGLFJ-JQIJEIRASA-N 427.887 6.748 30 10 IKEE CCCn1cc(CN/C(=N/C(=O)c2ccccc2C)Nc2ccc(C(C)C)cc2)c(C)n1 32972924 LXVFUTZXAIPHKB-UHFFFAOYSA-N 431.584 5.431 30 10 IKEE COc1cccc(COc2ccc3c(c2)O/C(=C\c2ccc(Cl)c(Cl)c2)C3=O)c1 33514096 CCBPETNERYNLCK-JJFYIABZSA-N 427.283 6.197 30 10 IKEE COc1cc(OC)c(OC)cc1/C=C1/Oc2cc(OCc3cc(C)ccc3C)ccc2C1=O 33688298 VTCLAYRVPPCBBN-RPPGKUMJSA-N 446.499 5.524 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccccc1OC 40081136 NNNPDELQJPTPDI-HSZRJFAPSA-N 437.536 5.108 30 10 IKEE C=CCc1ccccc1OCCCCn1c(/C=C/c2ccc(OC)cc2)nc2ccccc21 40238478 VDMXLPSOZCPSIF-LVZFUZTISA-N 438.571 6.803 30 10 IKEE COc1cccc2cc(C(=O)Oc3ccc4c(c3)O/C(=C\c3ccc(C)cc3)C4=O)oc12 41354111 AGJQVVUKMLWSON-UUYOSTAYSA-N 426.424 5.585 30 10 IKEE COc1cccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(C2CCCCC2)C4)c1OC 41649000 XRMGLCBTQLSOFC-XKZIYDEJSA-N 435.520 5.113 30 10 IKEE CCCCNC(=O)CSc1nc2ccc(/N=C/c3cc(Cl)ccc3O)cc2s1 59502590 ZZWFXPSGUBHNSD-FOKLQQMPSA-N 433.986 5.414 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(C)cc4)c3C)C2=O)cc1 62883562 ADKIGKMGVAIDHF-UQQQWYQISA-N 441.527 5.985 30 10 IKEE CCCN1C(=O)c2ccccc2Sc2cc(-c3noc(-c4ccc(C#N)cc4)n3)ccc21 64980188 GWJGLHGAIWLTHD-UHFFFAOYSA-N 438.512 5.797 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)CNc1ccc(Cl)c(Cl)c1 100061093 DTFUJJRHPPKWQW-UHFFFAOYSA-N 443.503 8.003 30 10 IKEE Cc1ccccc1/C=C1/Oc2cc(OS(=O)(=O)c3ccc(Cl)cc3)ccc2C1=O 102738956 FUFLKSPVCRMLJR-CIAFOILYSA-N 426.877 5.032 30 10 IKEE COc1cccc(/C=N\n2cnnc2SCc2ccc(C)cc2)c1OCc1ccccc1 135879025 ZIVTUMUCNARYTL-DICXZTSXSA-N 444.560 5.349 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccc(C)c(C)c2)cc1 169924168 HZXQNFLXRRZXFJ-VWLOTQADSA-N 441.527 5.712 30 10 IKEE CC(C)Oc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2)c1 169979716 QGJDUDRHEBADGX-QHCPKHFHSA-N 431.463 5.396 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@H]2c2ccccn2)cc1C 169996390 AVEURDVHJALESR-QFIPXVFZSA-N 432.907 5.443 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@@H]2c2cccnc2)cc1C 170003306 CIMWPIPNXCQNHQ-XMMPIXPASA-N 440.543 5.779 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@H]2c2cccnc2)cc1 170008086 XRFVRDMGOFCKBN-VWLOTQADSA-N 434.495 5.580 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2c[nH]c3ccccc23)cc1 170073974 JIJDKAGCKJSUGS-DEOSSOPVSA-N 440.474 5.652 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2c[nH]c3ccccc23)ccc1F 170075600 JFWUNVZOPYIUAY-XMMPIXPASA-N 440.474 5.707 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2cccc(O)c2)cc1C 170080671 JUSOJYKCEADUID-AREMUKBSSA-N 449.506 5.945 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2C2CCCC2)cc1 170117062 QVOYCHDCJLIGIV-XMMPIXPASA-N 449.547 5.251 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(Cl)cc2)ccc1F 170235471 PNKVDOKGPTZYQC-FQEVSTJZSA-N 425.843 5.159 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@@H]1c1ccc(C(C)C)cc1 170245408 XMESBIBQKLFRJE-DEOSSOPVSA-N 449.591 6.104 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1c[nH]c2ccccc12 170256208 YRXIRTZCNBBUOW-GYCJOSAFSA-N 444.531 5.260 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(O)c2)ccc1OC(C)C 170264384 ONRLUYTZEAOZDG-HSZRJFAPSA-N 435.520 5.009 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCOC(C)C)cc1 170265100 VDKIPGUYUFSJLS-RUZDIDTESA-N 447.575 5.131 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1sccc1C 170315567 BZKBFXZTXOTIGP-NRFANRHFSA-N 449.528 5.165 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(C(C)(C)C)cc2)c1 170329673 DHFGOHJDJYRWAG-JOCHJYFZSA-N 447.556 5.837 30 10 IKEE CC(=O)Nc1ccc(CC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1 170494082 WBNKLZCYBCQYFM-UHFFFAOYSA-N 435.483 5.625 30 10 IKEE Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C\C(=O)Nc1cccc(OCCCC#N)c1 207276737 RNCYDTSTPIIBRU-SEYXRHQNSA-N 448.954 5.536 30 10 IKEE COc1ccc(-n2c(-c3ccc(F)cc3)cc(C(C)=NOCc3ccccc3C)c2C)cc1 263621956 VKMXGHLDNVKVKR-UHFFFAOYSA-N 442.534 6.850 30 10 IKEE Cc1ccsc1[C@@H]1C(c2cccc(OCC(C)C)c2)=C(O)C(=O)N1c1ccc(C#N)cc1 526487635 DFNVIAIBYGUVJR-QHCPKHFHSA-N 444.556 6.020 30 10 IKEE Cc1ccc([C@H]2C(c3ccc(Cl)cc3Cl)=C(O)C(=O)N2c2cccc(C#N)c2)o1 526519560 BHSVFHNRMBPOCD-FQEVSTJZSA-N 425.271 5.824 30 10 IKEE CCOc1cc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccs2)ccc1OC 526603576 FTCCVPKNSTXMOK-QFIPXVFZSA-N 432.501 5.084 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526607449 QQDDXPHNXAKSKO-XMMPIXPASA-N 426.491 6.052 30 10 IKEE N#Cc1ccc(NC2=C(Sc3ccc(Cl)cc3)C(=O)N(c3ccccc3F)C2=O)cc1 526664241 GCLLTVGORXCNPH-UHFFFAOYSA-N 449.894 5.340 30 10 IKEE CCCOc1ccc(/C=N\n2c(C)nnc2SCc2ccccc2)cc1Br 526800258 XXSLJCNEBFJIPC-XKZIYDEJSA-N 445.386 5.312 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccc(OCC)cc1 526807141 JVVGFIOKNRPQOB-IWIPYMOSSA-N 428.989 5.847 30 10 IKEE Cc1cccc(CSc2nncn2/N=C\c2ccc(OC(C)C)c(Br)c2)c1 526808486 MDHMQUSMPYFKRR-KSEXSDGBSA-N 445.386 5.311 30 10 IKEE CCCCCOc1ccc(/C=N\n2cnnc2SCc2ccc(C)cc2C)cc1OC 526810676 GUXUYDOCBQIDCK-YSMPRRRNSA-N 438.597 5.647 30 10 IKEE C=C(C)CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1cc(Cl)ccc1OC 586259248 UEQXEJAEBHSZDE-UHFFFAOYSA-N 443.952 5.912 30 10 IKEE CCCCCCC[S@@](=O)CC(=O)Nc1sc(-c2ccccc2)cc1C(=O)OCC 586351963 PVELNBXHBPONET-GDLZYMKVSA-N 435.611 5.249 30 10 IKEE SC[C@H](COc1c(Br)cc(Br)cc1Br)C1CC1 702029718 VYJMWTODHZWAFY-QMMMGPOBSA-N 445.014 5.309 30 10 IKEE CCCCCCCC[C@H](NCC)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 702479434 GXJQNSWJSKCEEL-ZEQRLZLVSA-N 433.681 5.740 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2cc(Cl)ccc2Br)cc1 710726859 SJQKTMQQLSWITG-GOSISDBHSA-N 435.749 6.417 30 10 IKEE CCOc1ccccc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 710798878 ZIHZBAXATPLONR-GOSISDBHSA-N 431.330 5.854 30 10 IKEE COc1ccccc1COc1ccc(C(F)(F)F)cc1N=Cc1cccc(OC)c1O 1083939183 AWGFOMIMVGDCBK-UHFFFAOYSA-N 431.410 5.758 30 10 IKEE Clc1ccc(Sc2oc(C=Nc3ccccc3Cl)cc2Br)cc1 1084077587 VOWNLCMPCUREMU-UHFFFAOYSA-N 427.150 7.251 30 10 IKEE CC(=O)C(=NNc1cccc([N+](=O)[O-])c1)Sc1nc2ccccc2n1-c1ccccc1 1084175732 QLTKZHQBFZQBHS-UHFFFAOYSA-N 431.477 5.040 30 10 IKEE COc1ccc(-c2nc(N=Cc3ccc(Cl)cc3)sc2-c2ccc(OC)cc2)cc1 1084565947 QBADWENEYOOEDR-UHFFFAOYSA-N 434.948 6.898 30 10 IKEE CCN1C(=O)C[C@H](C(=O)Nc2ccccc2F)SC1=Nc1cc(Cl)cc(Cl)c1 1084571601 JSJQRIJDOIETPW-MRXNPFEDSA-N 440.327 5.113 30 10 IKEE C=C(C)[C@@H]1CC[C@]2(CO)CC[C@@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]12 1565535298 FVWJYYTZTCVBKE-SROVDQKYSA-N 442.728 6.997 30 10 IKEE Cc1ccc(COc2ccc(/C=C3\SC(=Nc4cccc(C)n4)N(C)C3=O)cc2)cc1 1772730241 AIYSGKYWRVBEFI-OWJZXNPYSA-N 429.545 5.511 30 10 IKEE CCOc1cc(/C=C2/SC(=Nc3cccc(C)n3)N(c3ccccc3)C2=O)ccc1O 1772739584 XITRAUTWLDBAMK-LLLXPECQSA-N 431.517 5.303 30 10 IKEE COc1ccc(Cl)c(-c2cc(C(=O)Nc3ccc(C#N)cc3)nn2-c2ccccc2)c1 1859405870 VCXAZPFLWNQRJU-UHFFFAOYSA-N 428.879 5.325 30 10 IKEE CCc1ccc(OCC(=O)Nc2cc(NC(=O)c3cccc(C#N)c3)ccc2Cl)cc1 1860461496 CRZLTRBIHFEOCO-UHFFFAOYSA-N 433.895 5.044 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)CCc1ccc(C)cc1 1861081570 FYTNDNRBCNBZBC-RUZDIDTESA-N 440.603 5.271 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)c1ccc2nc(C)c(C)nc2c1 1861396788 ZRKCGWRFDPVQCL-QHCPKHFHSA-N 440.632 5.402 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)CCCOc1ccc(CC)cc1 1861714142 DMBZJIHGVIDJCG-VWLOTQADSA-N 444.660 5.656 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(C)c2)cc1 1862390040 UJPMHCZVCNSXEZ-RUZDIDTESA-N 440.543 5.511 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(C)cc1 1862413201 XUBFOKFAKLHRDX-CVDCTZTESA-N 441.518 6.210 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(C)cc1 1862441238 CRBJVFKPOSXJHD-JOCHJYFZSA-N 441.955 5.434 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 1862481434 FUKYHNBAWSKHLI-HXUWFJFHSA-N 430.331 5.823 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)c1 1862491294 PJRSHHZLOLVZJK-HOYKHHGWSA-N 445.946 6.296 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccccc2F)cc1 1862528940 AFJDFTNDLWEPRD-DEOSSOPVSA-N 429.491 5.209 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCCc3ccccc3)[C@@H]2c2ccccc2F)c1 1862556273 SDPAQRGIXIQFSH-XMMPIXPASA-N 444.506 5.009 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C2CCCCCC2)c1 1862596099 FYKLVYPBXIGORS-HSZRJFAPSA-N 435.520 5.092 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)c1 1862614067 XERQVGPBMPOXLP-DNVKUUNQSA-N 445.603 6.450 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc(Cl)c2)cc1F 1862640547 JFMFMMBZPUHFEW-OAQYLSRUSA-N 443.902 5.399 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@@H]2c2cccc(C)c2)c1 1862699724 XDDKIOHIQXEUMN-RUZDIDTESA-N 441.527 5.133 30 10 IKEE CCCCCCCCN1C(=O)C(NCCC(C)C)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863633262 RPKMPIVTMUAXJX-UHFFFAOYSA-N 439.427 6.070 30 10 IKEE C[C@H]1c2[nH]cnc2CCN1c1cc(Nc2ccc(C#N)cc2)nc(-c2ccc(Cl)cc2)n1 1868441840 FTUPZCKBPUYVOL-HNNXBMFYSA-N 441.926 5.259 30 10 IKEE CC(C)c1ccc(-n2nnc(C#N)c2NC(=O)/C(=C\c2ccccc2)c2ccccc2)cc1 1870142853 YFFYACIQSSYWMM-ULJHMMPZSA-N 433.515 5.442 30 10 IKEE C=CCn1cc(OCC(=O)Nc2cc(C)cc(C)c2)c(=O)cc1CSCc1ccccc1 1870202680 DGNRUWDSJDNUSR-UHFFFAOYSA-N 448.588 5.102 30 10 IKEE C#CCOc1cn(CC(C)C)c(CSc2nc3ccccc3n2-c2ccccc2)cc1=O 1870299143 XDVBAJLBBANHBC-UHFFFAOYSA-N 443.572 5.148 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(Cl)cc2)c(=O)cc1CN(CC)CCO 1870439121 OBXNYBQKQDTYLV-UHFFFAOYSA-N 449.035 5.255 30 10 IKEE CCCCCCCCn1cc(OCCC(=O)OCC)c(=O)cc1CN1C[C@@H](C)C[C@H](C)C1 1870452832 SHSFEZRUQMXWRG-VXKWHMMOSA-N 448.648 5.019 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(C)cc2)cn1Cc1ccccc1Cl 1870766295 JSMBVKMIYLAQCR-UHFFFAOYSA-N 448.994 5.611 30 10 IKEE C=CCn1cc(OCc2c(C)cc(C)cc2C)c(=O)cc1CNc1ccc(NC(C)=O)cc1 1870802810 LABSJSLDXMZBOY-UHFFFAOYSA-N 445.563 5.109 30 10 IKEE CCCCCCCCn1cc(OCCCCCCC)c(=O)cc1CNc1ccccc1 1870836011 DSGFMNZPXAGNCV-UHFFFAOYSA-N 426.645 7.170 30 10 IKEE CCCCCCCCn1cc(OCCOC(C)C)c(=O)cc1CNc1cc(C)ccc1C 1870986858 PJCWQWDUONLJIV-UHFFFAOYSA-N 442.644 6.242 30 10 IKEE CCCCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CNc1cccc(F)c1 1871059405 FADWOSZZJKEJCI-UHFFFAOYSA-N 442.619 7.085 30 10 IKEE CCCCC[C@@H](CC)N1COc2cc(C)c3c(c2C1)O/C(=C\c1ccccc1Cl)C3=O 1871347460 ACMWPCPRTSZINE-JVMBGAFUSA-N 439.983 6.775 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1c(Cl)cccc1Cl)C3=O)CN(CCCCCO)CO2 1871353074 CGCPHNPAHJIHTR-JAIQZWGSSA-N 448.346 5.233 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(C(C)C)cc1)C3=O)CN(CCCCN(C)C)CO2 1871354799 BSAYSOFWGVDTFJ-OYKKKHCWSA-N 434.580 5.228 30 10 IKEE CCc1ccc([C@H](C)N2COc3c(cc4c(c3C)O/C(=C\c3ccncc3)C4=O)C2)cc1 1871360240 YBPCXQNHCVLVBC-DNNAEVNTSA-N 426.516 5.482 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O)c1cc([N+](=O)[O-])ccc1Cl 1871372807 LUXUQCQMHBZYBF-KACMKLLYSA-N 447.830 5.640 30 10 IKEE Cc1cc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2Cl)C3=O)ccc1[N+](=O)[O-] 1871373572 NAOAWDIJWGVLMX-NHDPSOOVSA-N 449.846 5.700 30 10 IKEE CCCCC1CCC(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2sccc2C)C3=O)CC1 1871382859 HFCSXQQNDFUOQA-JCMHNJIXSA-N 438.589 6.883 30 10 IKEE CCCCC1CCC(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(OC)c2)C3=O)CC1 1871382893 JBKLHSCWOFILNO-XYGWBWBKSA-N 448.559 6.522 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)CC1 1871383616 VRHNSNKJNOQBBG-IWIPYMOSSA-N 449.503 6.113 30 10 IKEE C[C@H]1C[C@H](C)CN(Cc2c(O)ccc3c2O/C(=C\c2c(Cl)cccc2Cl)C3=O)C1 1871396682 RALNECPFVYSYQR-OZYOTALKSA-N 432.347 5.793 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4C)ccc3C2=O)cc1 1871404528 MFHAYVPVNPVEIZ-AOBKZXEFSA-N 443.499 5.416 30 10 IKEE CCn1cc(/C=C2\Oc3c(ccc(OCc4ccc(C#N)cc4)c3C)C2=O)c2ccccc21 1871418114 XMDZPKSBCWKPEX-WGARJPEWSA-N 434.495 6.037 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O 1871431857 PDGIHCQVWXXIFP-SUVVMJBMSA-N 431.463 5.465 30 10 IKEE O=C1/C(=C/c2ccc(F)cc2)Oc2cc(OCc3cccc(Oc4ccccc4)c3)ccc21 1871436782 PYVVRTGJQNBHAN-YUMHPJSZSA-N 438.454 6.813 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2F)C3=O)c1 1871454553 QYLVHVWCVVHNEG-QRVIBDJDSA-N 431.463 5.385 30 10 IKEE C=C(C)CN([C@H](CC)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)c(C)c1 1872460738 MIZYYIZIKQTKNS-JOCHJYFZSA-N 449.016 5.249 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 1872765983 AFBSWSIZLAOESW-GFCCVEGCSA-N 437.735 6.269 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@@H]2CCCC[C@H]2C)=C(c2ccc(C)cc2)C1=O 1873143750 ZYDCUMUZJKGOLP-ISKFKSNPSA-N 438.656 6.384 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(CCCC)cc2)=C(c2cccnc2)C1=O 1873268875 JVEJVXQMMYJQGS-UHFFFAOYSA-N 433.596 5.977 30 10 IKEE N#Cc1nc([C@H]2C[C@H]2c2ccccc2)oc1N/N=C/c1ccccc1OCc1ccccc1 1873471045 VHQSYICHHYRWDB-NQNVITGWSA-N 434.499 5.842 30 10 IKEE C=CCn1c(C(=O)N(CCCC)CCCC)cc2c(N3C[C@H](C)C[C@@H](C)C3)ncnc21 1873561057 SIZDNEYHBYHORH-WOJBJXKFSA-N 425.621 5.142 30 10 IKEE C=CCn1c(C(=O)NCCCCCCCC)cc2c(N3C[C@@H](C)C[C@H](C)C3)ncnc21 1873593828 IJZIVIDQJFVBNG-PMACEKPBSA-N 425.621 5.190 30 10 IKEE CCCOc1cccc(/C=N/n2c(CCCOc3ccccc3C)nnc2SCC)c1 1874250052 RABOCEUULHGVIE-XIEYBQDHSA-N 438.597 5.381 30 10 IKEE CCCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874270344 RGENTRVRHIZQNC-BUVRLJJBSA-N 447.520 5.020 30 10 IKEE Clc1ccc(CSc2nnc(COc3ccccc3)n2/N=C/c2ccccc2)cc1 1874385514 TXLLFCHCNHYVAQ-MFKUBSTISA-N 434.952 5.685 30 10 IKEE CSc1nnc(CCc2ccccc2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874397983 QGBZASMZYGOCQP-NLRVBDNBSA-N 428.561 5.246 30 10 IKEE COc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2cc(C)ccc2C)c1O 1874438539 GGVWHGBUGJVDSL-AFUMVMLFSA-N 438.597 5.372 30 10 IKEE Cc1cccc(CSc2nnc(C3CCCC3)n2/N=C/c2ccc(C(F)(F)F)cc2)c1 1874454819 WHFPWKAYXWNHTG-MZJWZYIUSA-N 444.526 6.437 30 10 IKEE COc1cc(/C=N/n2c(SCc3ccccc3)nnc2C(C)(C)C)ccc1OC(C)C 1874481792 NZMMASBANOBECI-MFKUBSTISA-N 438.597 5.546 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(CC(C)C)nnc2SCCC)cc1OCC 1874490791 KLTAKDPDTCKSPN-JJIBRWJFSA-N 432.634 5.829 30 10 IKEE CCOc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2cccc(Cl)c2)cc1 1874492476 PFGIBVAMPUAZHP-ZVHZXABRSA-N 428.989 5.703 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2)nnc1C1CCC1 1874496903 KFCOTSJTRHQJEK-MFKUBSTISA-N 441.000 6.162 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CCC2)c1 1874497338 FXSUBIATIJPTEG-ZVHZXABRSA-N 426.973 5.772 30 10 IKEE COCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccccc1F 1874505994 JAUUFVIFMYITQC-LSFURLLWSA-N 425.316 5.045 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3ccccc3)nnc2C(C)C)cc1OCC 1874513713 MGFIJJOBBQYDEC-PCLIKHOPSA-N 438.597 5.764 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CC)nnc1SCc1c(Cl)cccc1Cl 1874526212 TWUKBNJMXLYWRS-ZMOGYAJESA-N 447.391 5.887 30 10 IKEE O=C(/C=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12)c1ccc([N+](=O)[O-])cc1 1874575426 MZTQTSHQUAMAKK-CCEZHUSRSA-N 427.431 6.362 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cccc(OC)c1OCc1c(F)cccc1Cl 1874576890 LIXDAMOHEOWSGL-BUHFOSPRSA-N 426.871 5.971 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C)cc2C)c1OCC(=O)Nc1ccc(F)cc1 1874579042 UBINUBZFFJSFIE-RIYZIHGNSA-N 433.479 5.365 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCCc2ccccc2)cc1F 1874582262 GGVGPUBYNFRJIG-CSKARUKUSA-N 440.898 6.014 30 10 IKEE CCc1ccc(NC(=O)COc2ccccc2/C=C/C(=O)c2cc(Cl)ccc2OC)cc1 1874592182 QZDMOOLLNJLCTE-GXDHUFHOSA-N 449.934 5.825 30 10 IKEE O=C(/C=C/c1cccc(OCc2c(Cl)cccc2Cl)c1)c1ccc2c(c1)OCO2 1874597290 DQGCRDIKGXABDK-VQHVLOKHSA-N 427.283 6.197 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3c(C)cccc3C)c(OC)c2)cc1 1874610062 YTGHLZCLPHANES-RIYZIHGNSA-N 445.515 5.234 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCc3nc(O)c4ccccc4n3)cc2)cc1 1874613583 BSJIGBHQCNPCBF-CXUHLZMHSA-N 426.472 5.209 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)c(C)c1C 1874628239 SPKDLTYTQIKJLL-OQLLNIDSSA-N 429.516 5.534 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OCCc3ccccc3)c(OC)c2)c1 1874630265 SJHKKYNNUILTJT-SDNWHVSQSA-N 446.543 6.010 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2OCC)o1 1874632927 CJIWWVNPTUJCML-XYOKQWHBSA-N 448.515 5.947 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OCc1ccc(Cl)cc1 1874635013 CXLIPSRMUSJLQT-XYOKQWHBSA-N 434.963 7.139 30 10 IKEE Cc1cc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)c2)ccc1F 1874693536 JWMWKSCKTKAXRT-GXDHUFHOSA-N 428.503 6.057 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1OC(=O)Cc1cc(C)ccc1C 1874698548 BOZADJAUIMQPBA-UXBLZVDNSA-N 436.454 5.634 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OC(=O)c1ccc([N+](=O)[O-])cc1 1874701406 RDUDNFZOFGCXQU-LFYBBSHMSA-N 431.444 5.336 30 10 IKEE O=C(COc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1 1875080327 KCBUDXKJTJMUQU-DEDYPNTBSA-N 434.491 6.234 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)CCOC 1875082369 CJNLRJLYAFKLIR-OQLLNIDSSA-N 430.500 5.590 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C(F)(F)F)c(Br)c1)c1ccc2ccccc2c1 1875096234 CTPDWJXLPDSXPN-WEVVVXLNSA-N 449.222 5.966 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(Cl)c1OC(=O)c1ccccc1 1875112724 HURPIDIRXQTQGV-NTEUORMPSA-N 436.891 5.863 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2-c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 1875116458 CEMYNALSYJQJQM-XDHOZWIPSA-N 449.462 6.377 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(CC)cc3)c(OC)c2)cc1 1875131046 FTKVDFKTAAXDME-LZYBPNLTSA-N 430.500 5.772 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)c1cccs1 1875136055 VATUPQFYLQKHHU-DHZHZOJOSA-N 426.921 6.224 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)cc3)c(OC)c2)cc1F 1875153562 MSPGWXADAPEYLL-XCVCLJGOSA-N 440.854 5.612 30 10 IKEE Cc1cnc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Oc4ccccc4)cc3)cc2)cn1 1875165671 SKZHYQUVWCKZNR-CXUHLZMHSA-N 436.467 5.693 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)c2cccnc2)c(Cl)c1 1875183987 CGDCRLKOHZTPFL-DHZHZOJOSA-N 433.935 6.456 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)ccc1OC(=O)C1CC1 1875188554 ZCFQFXBLWYQWEC-XBXARRHUSA-N 435.303 5.612 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(Cl)c3)cc2)c2ccccc12 1875190736 PPHCPMRWHAXXKT-RVDMUPIBSA-N 442.898 6.617 30 10 IKEE C=C(COC)[C@H](NCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875650080 LFBYRXDLRXFAPB-NSOVKSMOSA-N 447.575 5.059 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C2(CC2)C1 1880303684 JQAYTZNNBQUETR-VWLOTQADSA-N 441.572 5.107 30 10 IKEE N#C[C@@H](NCc1ccccc1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1881180108 ZXTJEGMYIQPDGO-HHHXNRCGSA-N 434.539 6.199 30 10 IKEE C[C@@H](C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1ccc(-c2ccccc2)c(F)c1 1892316550 ATPDAPVEVOKFMA-LJQANCHMSA-N 428.507 5.538 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(C1)CC(C#N)(N(C(=O)OC(C)(C)C)c1ccccc1)C2 1917713510 YTRIGCPKYYMHLN-UHFFFAOYSA-N 427.545 5.111 30 10 IKEE C=C(COCc1ccccc1)[C@H](NC)c1ccc(Br)cc1Br 1922068780 LECLTMOPIDMUEH-SFHVURJKSA-N 425.164 5.245 30 10 IKEE C=C(COCc1ccccc1)[C@@H](Cc1csc(NC(=O)OC(C)(C)C)n1)NCCC 1922078398 WKEOUEVGFYKQQV-HXUWFJFHSA-N 431.602 5.174 30 10 IKEE C=C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C1CC1)[C@@H](CCCC)C(=O)O 1927511898 BIMWRTIKVDWWSQ-RPLLCQBOSA-N 433.548 5.751 30 10 IKEE C#Cc1ccccc1[C@H](CCNC(=O)OCC1c2ccccc2-c2ccccc21)CC(=O)O 1952244412 MOZLHIFEUDOOBW-HXUWFJFHSA-N 439.511 5.155 30 10 IKEE C=CCCCCC[C@H](NC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997456298 QHXNBAHXCSJSNQ-JYFHCDHNSA-N 430.633 5.555 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)cn1 2003364536 HZFSLHBDBUVPOA-SFHVURJKSA-N 430.549 5.563 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CC[C@@H](CCNC(=O)OC(C)(C)C)C2)cc1 2037233696 VGPZMOONJSVDEN-UQBPGWFLSA-N 443.588 5.714 30 10 IKEE Cc1cc(N(Cc2ccccc2)[C@@H](C)c2cccs2)ncc1B1OC(C)(C)C(C)(C)O1 2052558059 BKINWVFVPLIULL-IBGZPJMESA-N 434.414 5.519 30 10 IKEE C#CCCC[C@H](NC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071354725 KZQAGMBMWOWVOL-LBNVMWSVSA-N 429.560 5.270 30 10 IKEE CC[C@@H](c1ccc(C(F)(F)F)cc1F)n1nc(C2CCC2)c(C#N)c1Br 2079927328 PHKGFDOJFUPPML-HNNXBMFYSA-N 430.243 5.942 30 10 IKEE Fc1ccc(-c2c(C(F)(F)F)nn(C(F)F)c2Br)cc1C(F)(F)F 2080822263 LGVIVNASACPBOK-UHFFFAOYSA-N 427.064 5.884 30 10 IKEE CC(C)(C)n1nc(C(F)(F)F)c(-c2cc(F)cc(C(F)(F)F)c2)c1Br 2080849517 QLEXLLWKKGLYTH-UHFFFAOYSA-N 433.165 6.244 30 10 IKEE Brc1cc(NCC#Cc2ccccc2)cc(Br)c1Br 2095440558 ZOGGBISYTZPTGW-UHFFFAOYSA-N 443.964 5.438 30 10 IKEE CN(CCN(Cc1ccccc1)[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1C#N)Cc1ccccc1 2095947572 PSNAWFSVQHBOIZ-OIFRRMEBSA-N 437.631 6.097 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)c(Cl)c1 2103300013 MXWUXAFMYVOYTO-MSOLQXFVSA-N 443.813 5.450 30 10 IKEE C=C([C@H](NCCC)c1ccc(Br)cc1I)C(F)(F)F 2142282591 GHRWUGOWVQDDGM-LBPRGKRZSA-N 448.064 5.213 30 10 IKEE CC(C)N(C[C@H]1CCCCN1C(=O)OC(C)(C)C)c1cc(Br)ccc1C#N 2174809950 GLZODKOZJIREBP-GOSISDBHSA-N 436.394 5.325 30 10 IKEE CCCCN(C[C@H]1CCCN1C(=O)OC(C)(C)C)c1cc(Br)cc(C#N)c1 2174814547 JCLACYFQTBQKOZ-GOSISDBHSA-N 436.394 5.327 30 10 IKEE CCCCCCC[C@@H](N)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229127667 UHPUJGJEZLLCDO-RTBURBONSA-N 427.427 5.573 30 10 IKEE CC(C)(C)N(Cc1ccccc1)C(=O)c1cccc(Cl)c1B1OC(C)(C)C(C)(C)O1 2248079300 SPTIFOOHHNRFQO-UHFFFAOYSA-N 427.781 5.080 30 10 IKEE C=CCCC1([C@H](NCC)c2cc(Br)cs2)CN(C(=O)OC(C)(C)C)C1 2254994458 QGVQRGFEYWPPEL-MRXNPFEDSA-N 429.424 5.365 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(Nc2c(Br)cccc2C#N)cc1 2285182342 ILOZRFJHMZCJCW-FUHWJXTLSA-N 428.330 5.445 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NC)c1cc(Br)cc(C(C)(C)C)c1 2288665361 FYSJAYBKXNDVON-RTBURBONSA-N 439.438 5.867 30 10 IKEE CCCCCCCc1ccc(C(=O)C=CC(=O)c2ccc(CCCCCCC)cc2)cc1 2293394354 HTPWEUOJWGEIBP-UHFFFAOYSA-N 432.648 8.334 30 10 IKEE COc1ccc(C=CC(=O)C[C@H](Nc2ccc(C(=O)O)cc2)c2ccc(Cl)cc2)cc1 2295891388 OOPCCSFNEKSCOU-DEOSSOPVSA-N 435.907 5.873 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@@H](CCC)N(C)C(=O)OC(C)(C)C 2296220102 VBNMBBVUVSZCTN-VQTJNVASSA-N 437.422 5.204 30 10 IKEE Cc1cc2cc(-c3ccccc3)n(C)c2cc1NC(=CC(=O)c1ccccc1)c1ccccc1 2296651260 TUVCEDLZQUEPOC-UHFFFAOYSA-N 442.562 7.490 30 10 IKEE COc1ccc(N=C2SC(=Cc3cccc(F)c3)C(=O)N2c2ccc(OC)cc2)cc1 2296740592 CVLCOTMAMDSXPO-UHFFFAOYSA-N 434.492 5.652 30 10 IKEE COc1cccc(C=C2SC(=Nc3ccc(Cl)c(C(F)(F)F)c3)NC2=O)c1OC 2296881865 CKXKNINAPHTSQP-UHFFFAOYSA-N 442.846 5.268 30 10 IKEE CCCCCCCOc1cccc(C=C[C@@]23NC(=O)CCN2c2ccc(C)cc2C3(C)C)c1 2297475941 GZOLCLJYUZVNFN-GDLZYMKVSA-N 446.635 6.371 30 10 IKEE C[C@@H]1CC[C@]2(N=Cc3ccccc3O)Oc3ccccc3[C@@H](N=Cc3ccccc3O)[C@@H]2C1 2313625004 OWYKDRRRWCDWCE-GITBZRJGSA-N 440.543 5.902 30 10 IKEE Cc1cc2c(cc1C)C(=O)C(=Cc1cn(-c3ccccc3)nc1-c1cccc([N+](=O)[O-])c1)O2 2314519184 CMOJIHPDYMODPW-UHFFFAOYSA-N 437.455 5.681 30 10 IKEE CC(=Cc1ccccc1)C=C1SC(=Nc2ccncc2Cl)N(C2CCCCC2)C1=O 2314542784 OMFATYUEJIXTST-UHFFFAOYSA-N 437.996 6.618 30 10 IKEE O=C1C(=Cc2ccc[nH]2)SC(=Nc2nc(-c3ccccc3)cs2)N1C1CCCCC1 2314543533 GOTJEBUYZYDFCU-UHFFFAOYSA-N 434.590 6.075 30 10 IKEE Cc1ccc(COc2ccc(C=NNc3oc([C@@H]4C[C@@H]4c4ccccc4)nc3C#N)cc2)cc1 2320839903 IFAOSZGUAQCAFJ-JWQCQUIFSA-N 448.526 6.151 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OCc3cc(Cl)cc4c3OCOC4)cc(C)c2C1=O 2321883949 NFXFBSNTPHHRBK-UHFFFAOYSA-N 448.902 6.019 30 10 IKEE COC(=O)c1ccc(COc2ccc3ccccc3c2C=CC(=O)c2ccc(OC)cc2)o1 2322450201 WQRBRXWOGBXXSF-UHFFFAOYSA-N 442.467 5.703 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@](C#N)(N(C(=O)OC(C)(C)C)C1CCCCCC1)C2 2322624951 FEDQHAKCKAUWCF-JVFUWBCBSA-N 447.620 5.628 30 10 IKEE CCc1ccc(NC(=O)COc2ccccc2C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1 2322681145 FLFIGTHBBNRNKI-UHFFFAOYSA-N 441.571 6.460 30 10 IKEE Cc1cc(OC(=O)c2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1cccc(Cl)c1)O2 2322699010 SZUPJEVYBJXHIX-UHFFFAOYSA-N 425.267 6.137 30 10 IKEE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)cc1 2323057398 HOJVDVJVMHJDJU-UHFFFAOYSA-N 438.523 6.528 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(ccc(OC(=O)CC4CCCCC4)c3C)C2=O)cc1 2323486121 NCOVZUNYWITPJO-UHFFFAOYSA-N 447.575 6.333 30 10 IKEE CCCc1nnc(S)n1N=Cc1ccc(OCc2ccccc2Cl)c(OCC)c1 2323486985 VTNDJRKFTYQLOZ-UHFFFAOYSA-N 430.961 5.033 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)NCc3ccccc3)c(Cl)c2)cc1C 2323561313 DTNKQLFVANROFJ-UHFFFAOYSA-N 449.934 5.248 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)ccc1OCc1ccc(C(=O)OC)o1 2323620230 LTMOBKRDFSRGQV-UHFFFAOYSA-N 440.879 5.593 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3F)cc2)cc1OCCC 2323744003 NXHDJRNFYCBQSG-UHFFFAOYSA-N 448.534 6.878 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2323791216 AUSOZZOVBRZJKD-UHFFFAOYSA-N 434.875 5.883 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2)c1 2324155797 TXBSFAGCNDEBJQ-UHFFFAOYSA-N 427.544 6.340 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 2324197280 DUDFLMLMFPYFGD-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc(Cl)c1OCc1ccccc1 2324356844 GKCKLEDQXOKPDQ-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OCc1ccccc1Cl 2324439522 XCEBMFLJSAGIHG-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE N#C[C@@H](C(=O)C(=Cc1ccccc1)c1ccccc1)c1nc(-c2ccc(F)cc2F)cs1 2324465067 VGQBTHQMCQZTAD-QFIPXVFZSA-N 442.490 6.505 30 10 IKEE COc1ccc(C=C2Oc3cc(OCCCOc4cccc(C)c4)cc(C)c3C2=O)cc1 2324561576 QXIOMAQSPQCYSS-UHFFFAOYSA-N 430.500 5.776 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OCCCCOc3ccccc3C)c2C)C1=O 2324598986 YQBILBOTKWEYGT-UHFFFAOYSA-N 428.528 6.466 30 10 IKEE O=C1C(=Cc2cccc([N+](=O)[O-])c2)Oc2cc(OCCOc3ccc(Cl)cc3)ccc21 2324665790 BZLJEISNYOODNF-UHFFFAOYSA-N 437.835 5.322 30 10 IKEE CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2F)C3=O)c1 2324825719 PLRJCEHZHUGLGE-MRXNPFEDSA-N 445.446 5.051 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1cccc(F)c1)C2=O 2325142144 PFCLLPCLUWBDHF-GOSISDBHSA-N 445.490 5.773 30 10 IKEE COc1ccc(C=C2Oc3cc(OCC(=O)Nc4c(C)cccc4C)cc(C)c3C2=O)cc1 2325494522 OGNZOXOCSVEYBJ-UHFFFAOYSA-N 443.499 5.254 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(OCC)cc1 2325532285 FNBUOISEBNCUSH-UHFFFAOYSA-N 444.604 6.347 30 10 IKEE CCCCCCOc1ccc(C=Nn2cnnc2SCc2ccc(F)cc2)cc1OC 2325648641 VHGVVRDNYFQKSL-UHFFFAOYSA-N 442.560 5.559 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1OC(=O)c1cncc(C)c1 2325668739 HSSXHPJBJDJYHL-UHFFFAOYSA-N 449.506 6.181 30 10 IKEE CCSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1ccccc1F 2325912226 KSJGYXLXWWAVLG-UHFFFAOYSA-N 425.316 5.297 30 10 IKEE Cc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1c(Cl)cccc1Cl 2326323880 WKGIFZOTNSGKKL-UHFFFAOYSA-N 433.408 6.365 30 10 IKEE CCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1ccc(Cl)cc1Cl 2326326469 NUFPIYURNSHHJZ-UHFFFAOYSA-N 447.435 6.619 30 10 IKEE CCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1cccc(Cl)c1Cl 2326326491 UNLRQWCMEVZJMP-UHFFFAOYSA-N 447.435 6.619 30 10 IKEE CCCOc1c(C=Nn2c(CCc3ccc(Cl)cc3)nnc2SC)cccc1OC 2328003482 UCYOJLRYFYLIHW-UHFFFAOYSA-N 444.988 5.118 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccccc1 2328021386 ZWUKXBDQJJHRJU-UHFFFAOYSA-N 447.007 6.200 30 10 IKEE Cc1ccc(C=Nn2c(Cc3ccccc3[N+](=O)[O-])nnc2SCc2ccccc2)cc1 2328486291 QUTMKTSTJXRPSU-UHFFFAOYSA-N 443.532 5.260 30 10 IKEE CCc1ccc(C=Nn2c(Cc3ccc(OC)cc3)nnc2SCc2ccccc2)cc1 2329278036 YAJMCMZGZJBRBQ-UHFFFAOYSA-N 442.588 5.614 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(F)c3)n2N=Cc2ccncc2)cc1C 2329405480 DBJDUUZQMQSUKB-UHFFFAOYSA-N 431.540 5.194 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)CCCSC)c(Br)c2)c1 2330785689 OKIFWTJWAMMVIQ-UHFFFAOYSA-N 449.366 5.402 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cc(C)ccc3C)c(Cl)c2)cc1C 2330860216 AJSWKWVZYYBHHU-UHFFFAOYSA-N 448.946 6.318 30 10 IKEE COc1ccccc1C=Nn1c(CC(C)(C)C)nnc1SCc1cccc(Cl)c1 2330872439 GAVKTKYRZGIAJM-UHFFFAOYSA-N 428.989 5.703 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)cc([N+](=O)[O-])c1OC(=O)C1CCC1 2330938824 BHGCBXBALMMJQR-UHFFFAOYSA-N 429.856 5.249 30 10 IKEE CCSc1nnc(-c2ccco2)n1N=Cc1ccc(OCc2ccc(C)cc2)c(OC)c1 2331197266 UFXSODQGUNCNGC-UHFFFAOYSA-N 448.548 5.428 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)c1ccc(OC)cc1 2331326122 DDPLCWVKLUHPID-UHFFFAOYSA-N 430.500 5.826 30 10 IKEE CC(C)(C)c1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2331397985 QHZVFOHHHRTEAE-UHFFFAOYSA-N 445.932 5.017 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 2331411164 VGYBLVRVCZSLLL-UHFFFAOYSA-N 426.556 6.645 30 10 IKEE Cc1cccc(C(=O)Oc2ccc(C=CC(=O)c3cccc4ccccc34)cc2[N+](=O)[O-])c1 2331474093 CZVFRDIGPRNNTD-UHFFFAOYSA-N 437.451 6.172 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OC(=O)c1ccccc1Cl 2331484627 VASITWDLFRLOMR-UHFFFAOYSA-N 442.898 6.617 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)CCCSC 2331505797 SAMCEVXGXMNQHQ-UHFFFAOYSA-N 426.578 6.153 30 10 IKEE COc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CCC2)c(OC)c1 2331541348 OVQGHPGMJBGXLV-UHFFFAOYSA-N 442.972 5.391 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)CCCOc1cccc(C)c1 2331541423 FQPZEKSVYFQWOS-UHFFFAOYSA-N 448.490 5.803 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2ccccc2C)c(C)c1 2331545248 MWHIXWHUXVBYAZ-UHFFFAOYSA-N 433.581 5.084 30 10 IKEE C[C@@H](Oc1ccc(Cl)cc1)C(=O)Oc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1 2331554940 SMYVPESDTKFPTF-OAHLLOKOSA-N 442.845 5.887 30 10 IKEE CCCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1N=Cc1ccc(Cl)cc1 2331632570 LRBDSGFIYQUXPC-UHFFFAOYSA-N 441.988 5.114 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)C(C)(C)C)c(Cl)c1 2331636727 QTZYWRUKDILWJO-UHFFFAOYSA-N 441.738 6.503 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)Cc1ccccc1F 2331673495 WINSQJPZGMFGDS-UHFFFAOYSA-N 448.490 5.504 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)c3cccc(F)c3)cc2)c1 2331673961 MQPBOZIBFQKLEG-UHFFFAOYSA-N 434.463 5.738 30 10 IKEE CCCSc1nnc(C(C)C)n1N=Cc1cccc(OC)c1OCc1cccc(C)c1 2331705683 XVQRVRRYBXFHJE-UHFFFAOYSA-N 438.597 5.682 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)CSc3ccccc3)c([N+](=O)[O-])c2)cc1C 2331707265 HLWPMKBAYJFSMC-UHFFFAOYSA-N 447.512 5.805 30 10 IKEE Cc1ccccc1NC(=O)CSc1nnc(C2CC2)n1N=Cc1ccc(C(C)C)cc1 2331734154 ONDSIYZTTKSBER-UHFFFAOYSA-N 433.581 5.200 30 10 IKEE COc1cccc(C=NNc2oc(-c3cccs3)nc2C#N)c1OCc1ccccc1F 2331938111 GCPVSJJDQKMKRV-UHFFFAOYSA-N 448.479 5.447 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)cc1 2339589687 AMQIYSJZYXKWTI-UHFFFAOYSA-N 438.333 5.866 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@@H](C#N)c1cc(F)c(Cl)cc1Cl 2377362432 JCBIQCDBYMXLPI-KRWDZBQOSA-N 429.706 6.792 30 10 IKEE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)S/C1=N\c1cccc2ccccc12 16713224 AIMXGCGQNSPXDQ-LQUAGZSJSA-N 449.963 5.640 30 10 IKEE CCc1sc2ncnc(Nc3cccc(C#N)c3)c2c1-c1ccc(Br)cc1 19957610 YXLOQGLUHFTHJV-UHFFFAOYSA-N 435.350 6.298 30 10 IKEE CC(C)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)cc1 21220426 UAGHGKPANJNQKU-PIKZIKFNSA-N 426.535 6.929 30 10 IKEE CC(C)c1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(Cl)c(Cl)c2)C3)cc1 21220501 SVBIZNPVFQGXIY-QZTJIDSGSA-N 428.359 6.121 30 10 IKEE Cc1csc(/N=C2/S/C(=C\c3cn(C)c4ccccc34)C(=O)N2C2CCCCC2)n1 39865593 FZOXDZJNYHOLIN-ROIOHNFESA-N 436.606 5.880 30 10 IKEE C=CCc1ccc(OCCCCn2c([C@@H](C)N3CCOCC3)nc3ccccc32)c(OC)c1 39917045 KYRWSONAYCDTAL-OAQYLSRUSA-N 449.595 5.026 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1cccc2ccccc12 40080361 QEESSMFMWQLKIE-DEOSSOPVSA-N 429.516 5.535 30 10 IKEE Cc1c(C(=O)Nc2ccccn2)oc2c1/C(=N/Nc1cccc(C(F)(F)F)c1)CCC2 40824089 ODDVECZZOZISRC-MUFRIFMGSA-N 428.414 5.407 30 10 IKEE C[C@H]1CCc2c(C#N)c(NC(=O)COc3cccc(Br)c3)sc(=S)c2C1 41014811 HJGUTIOGMWYTJV-NSHDSACASA-N 449.395 5.254 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(C)cc4)c3C)C2=O)c(OC)c1 41284188 QEGPGRWPTCEFCQ-QRVIBDJDSA-N 430.456 5.156 30 10 IKEE CC[C@H](C(=O)Nc1cc(Cl)c([C@@H](C#N)c2ccc(Cl)cc2)cc1C)c1ccccc1 59240271 LXUDUNCCXHLHQI-UNMCSNQZSA-N 437.370 7.090 30 10 IKEE CCCCCCN(CCCCCC)CN1C(=O)/C(=N\c2ccc(C)c(C)c2)c2ccccc21 59372678 JMIZPQBXTCVNHB-HYOGKJQXSA-N 447.667 7.191 30 10 IKEE Cc1ccc(/N=C2/S/C(=C/c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)C(=O)N2C)cc1 105459243 XYLRHVASCIVPNR-GNPNYKALSA-N 445.544 5.335 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccc(F)c(F)c2)c1 169968326 OCMMBNRYPFTWON-HSZRJFAPSA-N 433.454 5.673 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(O)c(Cl)c2)cc1C 170043876 KYTJIWYTFOMWRD-NRFANRHFSA-N 425.912 5.183 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 170061023 ATVQSCHMTPKUSK-FQEVSTJZSA-N 443.808 5.540 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1 170063025 HJDRCRYXESFCDO-NRFANRHFSA-N 437.854 5.271 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2cccc(O)c2)c1 170081445 QOEMCTBUUMKNJR-QFIPXVFZSA-N 433.891 5.445 30 10 IKEE CCOc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2ccco2)c1 170097743 YNLJGVCENLDFAF-QHCPKHFHSA-N 431.488 5.074 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccc(C)c2)c1 170142725 HKWVBLHCUUROIP-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2cccs2)cc1 170158441 XMAGFOWOMPPLNX-HSZRJFAPSA-N 447.556 5.937 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1cccs1)c1cc2cc(Cl)ccc2o1 170159372 XZRKFAGOOZYZIZ-HXUWFJFHSA-N 435.888 5.931 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)c(C)c2)[C@@H]1c1cccs1 170165758 MCUCHCUMABBRSX-NRFANRHFSA-N 427.566 5.614 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(OCCC)cc1 170215353 MHBBWALZYZPRDV-NRFANRHFSA-N 427.928 5.507 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2)c(OC)cc1Cl 170226138 OEURJESPCOHNBT-QFIPXVFZSA-N 449.890 5.140 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2cccc(C)c2C)o1 170302446 VMTIHYKGFHMZLX-VWLOTQADSA-N 437.495 6.141 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(N(C)C)cc2)cc1 170378285 HMVUYZPJGBUIBH-RUZDIDTESA-N 440.543 5.659 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(C(C)C)cc2)cc1 170452279 OCLVIJILDQZRHD-DEOSSOPVSA-N 448.607 6.171 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(Cl)cc2)cc1 170453697 GDGXDTDJDOCXJO-QHCPKHFHSA-N 440.971 5.701 30 10 IKEE CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)C1=NNc1nc(-c2ccccc2)cs1 254592250 KRPWDMUWVQMGNG-UHFFFAOYSA-N 444.545 5.124 30 10 IKEE C(=NN1CCN(Cc2cccc3ccccc23)CC1)c1ccc(OCc2ccccc2)cc1 254837552 FLBIGQDCIHPLRM-UHFFFAOYSA-N 435.571 5.571 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(C)c(Br)c1)NCCC 407923518 DUYMQQNBHOYYGP-UXHICEINSA-N 439.438 5.528 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2ccc(Cl)cc2Cl)[C@H]1c1ccc(O)cc1 526608434 JCEDIQLBFCWSJK-OAQYLSRUSA-N 437.282 5.628 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1/N=C\c1cccc(OCCC)c1 526802640 JLIOOFYRRAZMHU-XYGWBWBKSA-N 426.561 5.723 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccc(Cl)cc1Cl 526807319 UTMYBUUUBDYAOM-KSEXSDGBSA-N 439.799 6.365 30 10 IKEE CC(C)(C)OC(=O)N1CC([C@](C)(C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 686265034 WSRCGSBDVLTSTH-QFIPXVFZSA-N 435.952 5.231 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@]1(C#N)CCOc2ccc(Br)cc21 698872943 HRGLKXJXJMZQEH-HXUWFJFHSA-N 449.370 5.449 30 10 IKEE C[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)CCN1C(=O)OC(C)(C)C 698897157 YEKMRCBYYNDVDY-MWTRTKDXSA-N 433.524 5.249 30 10 IKEE CCCCCCCCCC[C@H](N)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 702533100 SNKYWHIMNHUEPW-BJKOFHAPSA-N 433.681 5.870 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@@H](C#N)c1cc(Br)c(Cl)s1 710703236 POBXDEDSHOTYBV-ZDUSSCGKSA-N 445.741 6.309 30 10 IKEE O=C(Oc1ccc(C=NNc2nc(-c3ccccc3)cs2)cc1)c1ccccc1Cl 1081093826 NQRMWFSMERYDMX-UHFFFAOYSA-N 433.920 6.129 30 10 IKEE COC(=O)c1ccccc1N=Cc1ccccc1OC(=O)c1sc2ccccc2c1Cl 1084483340 OWQVZGVWBOBCMN-UHFFFAOYSA-N 449.915 6.311 30 10 IKEE O=C1/C(=C\c2ccc(-c3ccc(I)cc3)o2)Sc2ccccc21 1084499321 AXYQGDOBXFGFEJ-WOJGMQOQSA-N 430.266 5.881 30 10 IKEE CCCCCCCCCCCCCNC(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 1615945881 YNJRZPRKPOWKRK-NRFANRHFSA-N 430.589 5.165 30 10 IKEE Cc1ccc(-c2ccc(/C=C3/SC(=Nc4cccc(C)n4)N(C)C3=O)o2)c([N+](=O)[O-])c1 1772731658 PWKUXJQGKFTOFQ-VLTWACRQSA-N 434.477 5.100 30 10 IKEE O=C1NC(=NN=Cc2ccc(-c3ccccc3)o2)S[C@@H]1Cc1cc(Cl)ccc1Cl 1772741751 AVUUCYJPVMXKBY-LJQANCHMSA-N 444.343 5.418 30 10 IKEE Fc1cccc(NC(=S)N/N=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c1 1857811325 OSSGSAJLMBZFES-WGARJPEWSA-N 449.942 5.652 30 10 IKEE CCOc1ccc(-c2cc(C(=O)Nc3ccccc3C#N)nn2Cc2ccccc2F)cc1 1859409513 GGFXVPRUXVPQTB-UHFFFAOYSA-N 440.478 5.260 30 10 IKEE CC(C)c1cccc2nc(-c3cccc(C(=O)Nc4c(C#N)cnn4-c4ccccc4)c3)oc12 1859743754 HHAGWHGWCJXLSR-UHFFFAOYSA-N 447.498 5.928 30 10 IKEE CCCCCCCCCOc1cccc(NC(=O)c2ccc(OCc3ccccc3)cc2)c1 1860125781 DJPDPWZTDKQMTG-UHFFFAOYSA-N 445.603 7.647 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862395726 XBNULOWNWPHSMA-RUZDIDTESA-N 444.575 6.135 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl 1862436677 ZDVVQHSITPDVCI-HXUWFJFHSA-N 440.883 5.159 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1F 1862445850 FRYOTKWNSQFGJI-XFPJRNFQSA-N 445.893 5.775 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccccc1[N+](=O)[O-] 1862448623 RCMHOYGQKCRBJX-LJQANCHMSA-N 428.872 5.017 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(C)cc1 1862464842 HHKRQBXYSHOARC-KUHUBIRLSA-N 428.326 5.134 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc(F)cc2F)cc1 1862478060 YCHOXKGJTYTQAM-RBQRDFNRSA-N 425.475 5.430 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCC2=CCCCC2)c1 1862501617 GSBKEUYFOHCJRP-XMMPIXPASA-N 449.522 5.612 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862508936 UEPUYPFIKKVPAN-BLVKFPJESA-N 436.310 5.818 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 1862522012 WWIHEUUCYJFKHL-FQEVSTJZSA-N 446.330 5.523 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(OCC)c(OC)c1 1862538220 KOXSXZCDANAOOU-HSZRJFAPSA-N 437.536 5.035 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)cc1 1862561640 VZNJINPQLUEVHU-CUHUQNRHSA-N 432.564 5.549 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCCOC)cc1 1862616556 QOUFBJDYVYSNCQ-HSZRJFAPSA-N 435.564 5.161 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc(OCCC)c1 1862682970 UPUIRBMRSPJIHY-HSZRJFAPSA-N 439.527 5.773 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc2cc[nH]c2c1 1862702187 WJCVRHLOPRXRQQ-QHCPKHFHSA-N 432.520 5.335 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccc(O)c1 1862722775 YOJHBFBXZKCYOU-XDHUDOTRSA-N 427.500 5.436 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(Cl)ccc2C)=C(c2ccc(C)cc2)C1=O 1863262992 OWJXQTHBHZEBKI-UHFFFAOYSA-N 438.999 6.509 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCc2ccccc2)=C(c2ccccc2OC)C1=O 1863765307 SQZFRCNRYJVKSA-UHFFFAOYSA-N 448.607 5.358 30 10 IKEE Cc1ccccc1-c1ccc(-n2nnc(C#N)c2NC(=O)c2ccc3ccccc3c2)cc1 1870147470 RFFBSWOBIQHRLM-UHFFFAOYSA-N 429.483 5.520 30 10 IKEE CCCCCCCOc1cn(CCCCC)c(CNc2ccccc2C(C)C)cc1=O 1870837349 BAIVBQLOVUIGQT-UHFFFAOYSA-N 426.645 7.123 30 10 IKEE Cc1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871366410 DKDAVUZCUFEXBJ-PCAIFWSDSA-N 430.887 6.192 30 10 IKEE Cc1ccc(CCC(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871367230 ADHYDHUXHPCWER-HAHDFKILSA-N 432.903 6.111 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O 1871372040 WLXPJGWNYFTAJK-MTJSOVHGSA-N 443.257 5.897 30 10 IKEE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871376827 GIEOZWRFWFRWSV-DYAARSSKSA-N 446.886 5.892 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)/C(Cl)=C/c4ccccc4)cc(C)c3C2=O)cc1 1871377341 GLUWFSYOQNHFBW-GOIUUMNHSA-N 430.887 6.105 30 10 IKEE Cc1c(OC(=O)c2cc(Cl)ccc2Cl)ccc2c1O/C(=C\c1ccccc1F)C2=O 1871381168 LYOSGKKYJKDKEF-JMIUGGIZSA-N 443.257 6.276 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(OC(C)=O)cc4)c3C)C2=O)cc1 1871381922 JFEYVYXHRHBCQW-IWIPYMOSSA-N 442.467 5.318 30 10 IKEE CCCCC1CCC(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2C)C3=O)CC1 1871383186 NRCPJCOSNRDYHC-XYGWBWBKSA-N 432.560 6.822 30 10 IKEE Cc1cc(OC(=O)c2cccc(OC(C)C)c2)cc2c1C(=O)/C(=C/c1ccc(F)cc1)O2 1871387775 APMBRGMRJYDADY-FMCGGJTJSA-N 432.447 5.757 30 10 IKEE CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 1871402693 MPCZOBKNMBXKMM-DNPFKWNUSA-N 447.462 5.247 30 10 IKEE Cc1cccc(OCCCCOc2cc(C)c3c(c2)O/C(=C\c2cccc(F)c2)C3=O)c1 1871403479 NOFGRCNSOXYPBO-XYGWBWBKSA-N 432.491 6.297 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCCCCOc4cccc(C)c4)cc(C)c3C2=O)c1 1871403634 QMKDGMQKGHNQAT-ONUIUJJFSA-N 444.527 6.166 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1cccs1)C2=O 1871430583 LGKVNDXMSKPXGF-WBRURWICSA-N 433.529 5.696 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OCc4ccccc4C#N)c3C)C2=O)c1OC 1871437436 XRQIZWYBYQOEBT-QRVIBDJDSA-N 427.456 5.079 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4nc5ccccc5s4)ccc3C2=O)o1 1871440074 XEZVDVZHJCSSKL-FAPYRAKZSA-N 446.484 5.220 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OCCC(=O)Nc4ccccc4)c3C)C2=O)cc1 1871447436 SXSLHXFFSDAPGL-ULJHMMPZSA-N 427.500 5.581 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4cccc(Cl)c4)c3C)C2=O)cc1 1871455218 GRHATBKTPNEUNM-UUYOSTAYSA-N 433.891 5.591 30 10 IKEE CC(C)c1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O 1871456092 LTXQZHJNVGBZGP-CFRMEGHHSA-N 447.918 6.097 30 10 IKEE C=CCN=c1nc(Nc2ccc(OCCCCCC)cc2)[nH]c(N(C)Cc2ccccc2)n1 1871610433 CPKMWKCQZNIJHF-UHFFFAOYSA-N 446.599 5.231 30 10 IKEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1cc(C)ccc1C 1872523685 PUGGPRLWHUUFDA-QHCPKHFHSA-N 442.625 5.150 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccc(Cl)cc3)n2)cc1OC 1872761179 HYSQRYSPWBOVKL-CXAGYDPISA-N 442.924 5.124 30 10 IKEE CCCCC1CCC(C(=O)[C@@H](C#N)c2nc(-c3cccc(Br)c3)cs2)CC1 1872763478 NBXQOJFOOXVDIZ-LADRWXRNSA-N 445.426 6.745 30 10 IKEE CCOc1ccc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1OC 1872764242 IHFBZBXGZIGRTB-IBGZPJMESA-N 436.533 5.035 30 10 IKEE N#C[C@H](C(=O)c1c(Cl)ccc(Cl)c1Cl)c1nc(-c2cccc(Cl)c2)cs1 1872766879 PZUUNZIDIVNSPF-LLVKDONJSA-N 442.154 6.914 30 10 IKEE N#C[C@@H](C(=O)CCCOc1ccc2ccccc2c1)c1nc(-c2ccc(Cl)cc2)cs1 1872767230 UYALUCKQNIICDE-QFIPXVFZSA-N 446.959 6.652 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3F)n2)cc1OCCC 1872767413 QVWPXKGGJBRNBV-SFHVURJKSA-N 438.524 6.017 30 10 IKEE CC(C)(C)c1ccc(-c2csc([C@@H](C#N)C(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1 1872772579 FHWYBNGJVGCNSJ-KRWDZBQOSA-N 439.924 6.159 30 10 IKEE CCCCCCCCCCNC(=O)c1cc2c(N3CCC[C@@H](C)C3)ncnc2n1CCC 1873575123 QSUBVDFXIXJKIF-OAQYLSRUSA-N 441.664 5.948 30 10 IKEE CCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1cccc([N+](=O)[O-])c1 1874244708 MIQDQZHHGZBPGV-BUVRLJJBSA-N 439.585 5.330 30 10 IKEE CCCc1ccc(OCc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccc[nH]2)cc1 1874257057 HKSXIPCUGMHQCD-JFLMPSFJSA-N 449.555 5.451 30 10 IKEE Clc1ccccc1CCc1nnc(SCCc2ccccc2)n1/N=C/c1cccnc1 1874279662 OLMFYOGRGCOYSW-OVVQPSECSA-N 447.995 5.329 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3cccc(C)c3)n2/N=C/c2ccco2)cc1 1874302508 CMMUXQZTMWNGDA-PCLIKHOPSA-N 432.549 5.344 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3F)n2/N=C/c2cccn2C)c(C)c1 1874327276 GHABKGRMOXILDI-VULFUBBASA-N 449.555 5.126 30 10 IKEE CCCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874343588 YGSOXMIMHYNTQF-FSJBWODESA-N 439.799 6.213 30 10 IKEE Cc1ccsc1/C=N/n1c(CCc2ccccc2)nnc1SCc1ccc(F)cc1 1874398640 LKNTYHJEPFDDSW-MFKUBSTISA-N 436.581 5.747 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3)n2/N=C/c2cccn2C)c1 1874403324 ZPNLEOCYBGHHQX-YZSQISJMSA-N 429.593 5.193 30 10 IKEE CCOc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCCc2ccccc2)cc1 1874413267 KPSPYTWHBFOVNS-XIEYBQDHSA-N 448.617 5.546 30 10 IKEE CC(C)c1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2cccc(F)c2)cc1 1874417510 MICFWGOVQCYWIW-OGLMXYFKSA-N 444.579 6.306 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2-c2ccccc2)cc1O 1874425462 KPBGVLQXKCAODT-MFKUBSTISA-N 430.533 5.142 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccccc2)n1/N=C/c1ccc(C(C)C)cc1 1874426131 SNBIHTXZKDZQFF-WPWMEQJKSA-N 426.589 6.551 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(CC(C)(C)C)n2/N=C/c2ccc(C)cc2)cc1 1874437107 KHSUXSNYVIXHIQ-WGOQTCKBSA-N 449.624 5.351 30 10 IKEE Fc1cccc(CSc2nnc(C3CCCC3)n2/N=C/c2ccc(Cl)c(Cl)c2)c1 1874454740 NLTGNRUDMIALHE-BRJLIKDPSA-N 449.382 6.556 30 10 IKEE Clc1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2c[nH]c3ccccc23)cc1 1874456375 NXGSHWYYTVAFEE-VULFUBBASA-N 435.984 6.245 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2cccc(Cl)c2)cc1 1874494002 ACANEGHGRRLXFI-ZMOGYAJESA-N 439.972 5.120 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C(C)C)cc1 1874515438 XOMSURQDJIPPSB-BRJLIKDPSA-N 447.435 7.006 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CC2)c(OC)c1 1874521049 YJVPAKQBULKUAP-FSJBWODESA-N 428.945 5.001 30 10 IKEE CCSc1nncn1/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 1874537444 DERAGKYYVGFSPW-AUEPDCJTSA-N 437.352 5.167 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(S)n1/N=C/c1cccc(OCc2cccc(Cl)c2)c1 1874561277 KWUADAZVLVBMQF-AEIQVQRHSA-N 448.979 5.833 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Cl)cc(OC)c1OCc1cccc(Cl)c1 1874577052 UIIDHCFWQCXPNF-ZHACJKMWSA-N 443.326 6.486 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2c(F)cccc2Cl)cc1 1874577902 LOFOUHUNEDYPRQ-XYOKQWHBSA-N 445.317 7.006 30 10 IKEE CCN(CC)C(=O)COc1ccc(Br)cc1/C=C/C(=O)c1ccc(F)c(C)c1 1874580165 ACJPPERAMZTBER-JXMROGBWSA-N 448.332 5.040 30 10 IKEE C[C@@H](NC(=O)COc1ccccc1/C=C/C(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 1874581955 OMRUATOFADOEBQ-WEIUTZTHSA-N 441.571 6.136 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1OCc1cccc(Cl)c1 1874593238 ZHBVCHZSFWOKJL-UKTHLTGXSA-N 428.915 6.977 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 1874609210 FAGKQOIWYIIFCC-NYYWCZLTSA-N 443.326 6.486 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(OC)c1OCC(=O)OCCC 1874614798 ZHFNDOKENWZKHQ-KPKJPENVSA-N 428.912 5.305 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Br)c1OCc1ccccc1F 1874614855 UBJWDJRFDLSYFJ-VAWYXSNFSA-N 441.296 6.072 30 10 IKEE C=C(C)COc1c(OCC)cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1[N+](=O)[O-] 1874630684 OKFBFGAYIUIGRH-CMDGGOBGSA-N 425.481 5.470 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2OC)ccc1OCc1cccc(F)c1 1874632621 MNEZDKKJNFEOCD-XYOKQWHBSA-N 436.479 5.717 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)c(C)c1 1874634134 MHYQRILXFNTMEC-OWSFEGEDSA-N 427.544 5.764 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OCC(=O)Nc1ccccc1F 1874635464 PTDOILZVWGHVNB-PKNBQFBNSA-N 447.506 5.673 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(-c4ccccc4)cc3)c2)cc1 1874693185 RKVYAEGTPNHLIO-XDHOZWIPSA-N 448.518 6.406 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3[nH]c4ccc(C)cc4c3C)c2)cc1C 1874696321 RYOJFGGQVNKITC-FMIVXFBMSA-N 439.511 6.217 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)CCc1ccccc1 1874698355 RXCOBXSJJNDPFA-VGOFMYFVSA-N 431.444 5.038 30 10 IKEE CCCc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(Cl)cc3)c2)cc1 1874700706 IPRIPFJFWFNXCX-CXUHLZMHSA-N 434.919 6.173 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2)c1 1874706390 FJKPGSNKLVDHEE-YRNVUSSQSA-N 447.443 5.036 30 10 IKEE CCCCCCCCC(=O)N1[C@H](C)CSc2nnc(CCc3ccc(Cl)cc3)n21 1875052556 JIVWSUNPZIODOC-QGZVFWFLSA-N 435.037 5.426 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3[N+](=O)[O-])c(Cl)c2)cc1 1875099932 GGJQRVLHAXTNSM-UKTHLTGXSA-N 449.890 5.855 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)COc3ccccc3)c(OC)c2)cc1 1875100362 ZVDKSQRVTPIKIZ-NTCAYCPXSA-N 446.499 5.147 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)cc3)c([N+](=O)[O-])c2)cc1C 1875108245 GCWIJNNWHZKAGR-IZZDOVSWSA-N 431.444 5.336 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3F)c(Cl)c2)cc1 1875114560 WAKINGQVZULDJY-WTDSWWLTSA-N 428.818 5.742 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc([N+](=O)[O-])c1OC(=O)c1ccc(F)cc1 1875126765 BMHHAWSWHXTFTI-MDWZMJQESA-N 435.407 5.248 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cccc4ccccc34)cc2)cc1 1875129442 CIIDKXDFXHJNRL-XDHOZWIPSA-N 436.507 6.283 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)cc2)c(C)c1 1875131240 NLXBZAJGAJELGM-IXNCKXOBSA-N 442.555 6.696 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc(Cl)c1OC(=O)COC 1875132838 QISQPQQPWFDVLA-QPJJXVBHSA-N 443.710 5.493 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2ccc(C)c(C)c2)c(Cl)c1 1875143003 DSGPSNREBAMWHW-CSKARUKUSA-N 448.946 6.318 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCC)c(Cl)c2)cc1 1875159339 NZSNJONJVPVFOX-MHWRWJLKSA-N 442.983 7.291 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3)cc2)cc1C(C)C 1875163443 LAJGOXUBIDHGKB-NTCAYCPXSA-N 428.528 6.171 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC(C)(C)C)c([N+](=O)[O-])c2)c(C)c1C 1875167083 OFFWABSTEVHXLF-JXMROGBWSA-N 425.481 5.458 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)c1cncc(C)c1 1875175894 MCMQNYRZIJWNAE-SOFGYWHQSA-N 435.907 5.784 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2)cc1[N+](=O)[O-] 1875176127 XRQXQAXPXPILKI-KPKJPENVSA-N 431.444 5.336 30 10 IKEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1cc2ccccc2n1-c1ccccc1 1891850398 RVIGPRUTGRSCDS-UHFFFAOYSA-N 448.444 5.462 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(F)cc1Br 1898088943 QZCHIVCCYOCNEO-QZTJIDSGSA-N 429.374 5.488 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21 1922107254 KLTPVVDYUDFGLQ-DQEYMECFSA-N 436.596 5.272 30 10 IKEE CCCCCCC[C@@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)NCCC 1947422968 YGAFYABCEGGJOQ-DEOSSOPVSA-N 433.681 5.742 30 10 IKEE C#Cc1ccc([C@H](CCC(=O)O)CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1 1951873775 VWMIOXFXIJVORC-OAQYLSRUSA-N 439.511 5.155 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@]2(C)CCCN2C(=O)OC(C)(C)C)c1 2020804804 SPLPFXCDOUTWPB-YADARESESA-N 429.561 5.418 30 10 IKEE C=C(C)[C@H](O)CC[C@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 2037784272 MHGLNDDJLDJDBG-SMYMILSTSA-N 442.728 7.140 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccc(NC(=O)OC(C)(C)C)nc1 2050053766 MDZHFJBNOLMKPZ-IBGZPJMESA-N 438.528 5.743 30 10 IKEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](N(Cc2ccccc2)C2CN(C(=O)OC(C)(C)C)C2)C1 2054196167 DQUANUIJGMDMSY-WMTXJRDZSA-N 439.644 5.853 30 10 IKEE C#CC[C@@H](C)CC(=O)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2076060890 BYONUOARHVUKSQ-PIKZIKFNSA-N 428.528 5.497 30 10 IKEE C=C(c1ccccc1)[C@@H](NC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2076577304 WLVVJKXAKBEUSD-SQHAQQRYSA-N 436.596 5.132 30 10 IKEE CC(C)c1cc(C(F)(F)F)ccc1-n1nc(/C=N/O)c(Br)c1C(F)(F)F 2079234176 PMCFNLONOHYPDH-TXNBCWFRSA-N 444.173 5.604 30 10 IKEE CCc1nn([C@@H](c2ccc(C(F)(F)F)cc2F)C2CCC2)c(Br)c1C#N 2079876430 JJTOTOUDWCRELN-MRXNPFEDSA-N 430.243 5.627 30 10 IKEE COc1ccc([C@@H](C2CCC2)n2nc(C(C)(C)C)c(C=NO)c2Br)c(C)c1 2079927303 OWDQEANVSVSAOJ-GOSISDBHSA-N 434.378 5.458 30 10 IKEE NCc1c(C(F)(F)F)nn([C@@H](c2ccc(C(F)(F)F)cc2F)C2CCC2)c1Cl 2079978141 WLIJGMHIPLFOFH-CYBMUJFWSA-N 429.767 5.561 30 10 IKEE Cc1cc(C)c([C@@H](n2nc(C3CCC3)c(C=NO)c2Br)C(C)(C)C)c(C)c1 2080029848 FJHZBPJDHDUWMV-HXUWFJFHSA-N 432.406 6.282 30 10 IKEE CCCOc1ccc([C@@H](n2nc(C(F)F)c(C#N)c2Br)C(C)(C)C)cc1 2080087544 KUVXKIYGMFWQSQ-MRXNPFEDSA-N 426.305 5.879 30 10 IKEE CCOc1ccc([C@H](n2nc(C3CCC3)c(C=NO)c2Br)C2(C)CC2)cc1 2080106232 VWUUEJNSQPYKGN-IBGZPJMESA-N 432.362 5.509 30 10 IKEE CC(C)(C)c1nn2c(O)c(C#N)cnc2c1-c1ccc(C(F)(F)F)cc1Br 2081159230 IKCZXGACSJBMTM-UHFFFAOYSA-N 439.235 5.052 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(C)sc(C)c1Br 2102883873 JEHOHAHXAMJCNV-MAUKXSAKSA-N 443.451 5.475 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Nc2cc(Br)c(C#N)cc2F)c(Cl)c1 2106104072 NTOUJAVWLFXZCO-UHFFFAOYSA-N 440.700 6.204 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H](CNc2cc(Br)ccc2C#N)C1 2162332959 IFJABPGQDCGZAF-INIZCTEOSA-N 434.378 5.160 30 10 IKEE CCN(C[C@H]1CCCCN1C(=O)OC(C)(C)C)c1ccc(C#N)c(Br)c1F 2174813775 AAQUZRQEPUIRMV-OAHLLOKOSA-N 440.357 5.076 30 10 IKEE CCCCCCC[C@@H](CO)N(C(=O)OCc1ccccc1)c1cccc(Br)c1 2219994402 NHSOLDZZKJKEOY-QFIPXVFZSA-N 448.401 6.314 30 10 IKEE Cc1sc([C@@H](C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)c(Br)c1C 2221779642 ISXCAIOIOHGTMN-GFCCVEGCSA-N 428.356 5.630 30 10 IKEE C=CC[C@H](C)[C@@H](NCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229132371 QUEIUIDHECNXNR-KFKAGJAMSA-N 425.411 5.075 30 10 IKEE CCC[C@H](CCNC(=O)OC(C)(C)C)CC[C@H](O)C#Cc1ccccc1Br 2235738818 CVEGIMUDGXAERW-HKUYNNGSSA-N 438.406 5.273 30 10 IKEE C/C=C/C[C@@H](NC(=O)OC(C)(C)C)[C@H](C#Cc1ccccc1Br)NCCC 2235747036 MXHSOYMTEGJPAU-NTQLHHNMSA-N 435.406 5.028 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)CC1 2250516559 JQGMCARRHLOBHZ-XMMPIXPASA-N 435.609 5.630 30 10 IKEE CCCN[C@H](C#CC1CCCCC1)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2251414597 SPGCBVYZZRVMBU-RPWUZVMVSA-N 428.617 5.048 30 10 IKEE COC(=O)C1=C(C)N(c2ccccc2)C(=Cc2ccc(OCc3ccccc3)cc2)C1=O 2296656414 HGAINDXZJVTMOM-UHFFFAOYSA-N 425.484 5.143 30 10 IKEE CCOc1ccc2oc(C)c(C(=O)Oc3ccc(C(=O)C=Cc4ccc(F)cc4)cc3)c2c1 2314430239 ZJLQYLJZUURRTA-UHFFFAOYSA-N 444.458 6.394 30 10 IKEE Cc1c(OCC(=O)OC(C)(C)C)ccc2c1OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2321734704 ZCOMUZAIVHGIFD-UHFFFAOYSA-N 435.303 5.639 30 10 IKEE CCn1cc(C=C2Oc3cc(OCc4ccc(Cl)cc4)cc(C)c3C2=O)c2ccccc21 2321767406 JVLQOSPVYYKYOI-UHFFFAOYSA-N 443.930 6.818 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)c1OCc1ccc(Cl)cc1 2322585665 AZVWAOJRURPIGE-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1F 2322708515 BCVDSGIPSLMWKV-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2c(C)cc(C)cc2C)c1OCC(=O)OCC(C)C 2322948781 QWHURFAFAOEGIZ-UHFFFAOYSA-N 444.955 5.748 30 10 IKEE CCCCCCCOc1ccccc1C=NNc1nc(O)cc(-c2ccc(OC)cc2)n1 2323260657 IRNRARPVDGEILT-UHFFFAOYSA-N 434.540 5.653 30 10 IKEE CCCCCCCCCOc1ccc(C=NNc2nc(O)nnc2C(C)(C)C)cc1OC 2323301514 BQESBNLJDGTSPD-UHFFFAOYSA-N 443.592 5.459 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)C=Cc1ccc(C(C)(C)C)cc1 2323464784 HSSWTYFYFAMJKE-VWLOTQADSA-N 440.672 6.245 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3C)c(Br)c2)cc1 2323466147 RPSZYVDIEKMIBY-UHFFFAOYSA-N 435.361 6.795 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2OCC)C3=O)CC1 2323650916 KZOLZAIWPRZEHQ-UHFFFAOYSA-N 448.559 6.604 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2C)OC(=CC=Cc2ccccc2)C3=O)cc1 2323865974 AHVHETSYAAKREJ-UHFFFAOYSA-N 438.479 5.951 30 10 IKEE CC(C)c1ccc(C=C2Oc3c(ccc(O)c3CN(Cc3ccccc3)C(C)C)C2=O)cc1 2324012039 ZGRRYMZBLVRYBW-UHFFFAOYSA-N 441.571 6.542 30 10 IKEE Cc1c(OCCOc2ccccc2)ccc2c1OC(=Cc1cn(C)c3ccccc13)C2=O 2324220446 JQWYKYPWJABEEL-UHFFFAOYSA-N 425.484 5.561 30 10 IKEE CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O 2324325006 NJFGKZUTJYYIAE-MRXNPFEDSA-N 447.462 5.247 30 10 IKEE CCCOc1c(Br)cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1OC 2324378380 AOKRQDXHWGUXMT-UHFFFAOYSA-N 433.342 5.768 30 10 IKEE Cc1ccc(C)c(COc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2Br)c1 2324449002 JYXCUABMTAZNIG-UHFFFAOYSA-N 449.388 7.158 30 10 IKEE COc1ccccc1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)OC(=Cc1cccc(F)c1)C2=O 2324473662 LFQBDPBLHNFNJO-INIZCTEOSA-N 447.462 5.165 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2cccc(C)c2)C3=O)cc1 2324477999 DIFMEWPMAOYTBF-GOSISDBHSA-N 427.500 5.580 30 10 IKEE Cc1cccc(OCCCOc2ccc3c(c2C)OC(=Cc2ccc(C(C)C)cc2)C3=O)c1 2324567648 BMPLFQWVRFGBPY-UHFFFAOYSA-N 442.555 6.891 30 10 IKEE CC(C)OC(=O)c1ccc(COc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1 2324599264 FPOJNWCXMZHAPX-UHFFFAOYSA-N 448.902 6.100 30 10 IKEE CC(C)OC(=O)c1ccc(COc2ccc3c(c2)OC(=Cc2ccccc2F)C3=O)cc1 2324603043 ZXEXAKWZYYRENJ-UHFFFAOYSA-N 432.447 5.586 30 10 IKEE CC(C)c1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(C(C)(C)C)cc3)n2)cc1 2324647772 JORGEVQVBDMRSR-HSZRJFAPSA-N 428.601 7.121 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4cccc(Cl)c4C)c3C)C2=O)o1 2325055380 CJRJTMUKYDANCG-UHFFFAOYSA-N 437.879 5.492 30 10 IKEE CCCCOc1ccc(C=Nn2c(C)nnc2SCc2ccc(F)cc2)cc1OCC 2325614180 ZRRPSDLLQYKYPD-UHFFFAOYSA-N 442.560 5.478 30 10 IKEE Cc1cc(C)c(NC(=O)COc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)c(C)c1 2325736671 RWISGHQNSBBFIN-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OC(=O)COCc1ccccc1 2325741571 PWZCZJAJFJFLKR-UHFFFAOYSA-N 434.463 5.161 30 10 IKEE C=CCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)C=Cc1ccc(C)cc1 2326222862 IZXIGAICUGBMIJ-UHFFFAOYSA-N 434.561 5.084 30 10 IKEE CCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(OC(C)C)c(Cl)c1 2326269314 XKVPIZGAZCXXQX-UHFFFAOYSA-N 432.952 5.595 30 10 IKEE CCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1cccc(Br)c1 2326681391 ZWCOXYUUICASQI-UHFFFAOYSA-N 440.370 5.039 30 10 IKEE CCCOc1ccc(C=Nn2c(COc3ccc(C)c(C)c3)nnc2SCCC)cc1 2328799871 HRYZGPSUKDNVNV-UHFFFAOYSA-N 438.597 5.647 30 10 IKEE Fc1ccc(CSc2nnc(CCc3cccs3)n2N=Cc2ccccc2F)cc1 2329638754 FLJAMBFDYPLUGG-UHFFFAOYSA-N 440.544 5.578 30 10 IKEE C=CCSc1nnc(CCc2cccs2)n1N=Cc1ccc(OC(C)C)c(OC)c1 2329673846 APYHMJYMILUNJZ-UHFFFAOYSA-N 442.610 5.081 30 10 IKEE CCCCOc1ccc(C=Nn2c(CCc3cccs3)nnc2SCCC)cc1 2329674528 QYMVRSCRXHXZID-UHFFFAOYSA-N 428.627 5.688 30 10 IKEE Fc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2N=Cc2ccc[nH]2)cc1 2329859386 GYTAFUZUJBTNJJ-UHFFFAOYSA-N 425.920 5.164 30 10 IKEE CCCSc1nnc(COc2ccccc2)n1N=Cc1ccc(OCC)c(OCC)c1 2329920810 CCUUFBAMESYADQ-UHFFFAOYSA-N 440.569 5.039 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1 2330621486 QEXZPUAFRBGNDT-UHFFFAOYSA-N 445.471 5.564 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3ccc4cc(Cl)ccc4n3)cc2)c1 2330777157 FCEPVRLXKNYTAE-UHFFFAOYSA-N 443.886 6.012 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2)n1N=Cc1ccc(Br)cc1 2330840833 LGIZDKCWTUAIST-UHFFFAOYSA-N 443.414 5.804 30 10 IKEE Cc1cccc(CSc2nnc([C@@H]3CCCO3)n2N=Cc2ccc(C(C)(C)C)cc2)c1 2330920380 LTRXEJHRNOUYAX-QFIPXVFZSA-N 434.609 5.910 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)ccc1OC(=O)c1ccccc1Cl 2330979816 VBAKLSQPRYAPOX-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE Clc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2[C@H]2CCCO2)cc1 2331001056 RGWSEOARFMPZRC-GOSISDBHSA-N 433.364 5.611 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)Cc1ccccc1 2331104315 IXAYWCXKQQMGTL-UHFFFAOYSA-N 448.465 5.746 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)COc1c(C)cccc1C 2331350564 BVMKGSYVEIHRLO-UHFFFAOYSA-N 448.490 5.640 30 10 IKEE CC(C)(C)c1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(F)cc1 2331400810 YBJOJBNLXNOIIM-UHFFFAOYSA-N 437.371 6.196 30 10 IKEE Fc1cccc(CSc2nnc(C3CCC3)n2N=Cc2ccc(Br)cc2)c1 2331500237 NVHDOVJQYIHZSI-UHFFFAOYSA-N 445.361 5.622 30 10 IKEE CCC(=O)Oc1ccc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc1Br 2331577451 OMMSRVRTCNRISD-UHFFFAOYSA-N 445.353 6.101 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)COc2ccc(C)cc2C)cc1 2331659313 HLSVJLDVVLHJFF-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CCC)nnc1SCc1ccc(Cl)cc1 2331659497 NRQCUPPNKIATAI-UHFFFAOYSA-N 426.973 5.623 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)ccc1OC(=O)c1ccccc1 2331752320 XUWVXLDIJYFTBW-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)COc3cccc(C)c3C)cc2)c(C)c1 2331764343 FRSBKTYWRIOWFV-UHFFFAOYSA-N 428.528 6.109 30 10 IKEE CCOc1c(C=NNc2oc(Cc3cccc4ccccc34)nc2C#N)cccc1OC 2331932676 MJFFZRLIMYZYSH-UHFFFAOYSA-N 426.476 5.144 30 10 IKEE CCN[C@H](C#C[C@H]1CC1(C)C)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2339567635 PPXYPVWLJTUCNC-RRPNLBNLSA-N 439.599 6.545 30 10 IKEE C[C@H](CNC(=O)OC(C)(C)C)C[C@H](C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339578224 DOQOEEQMCWXNJR-IZGBJUCLSA-N 446.397 5.044 30 10 IKEE CO[C@@H](C#C[C@@H](O)c1ccc(Br)cc1NC(=O)OC(C)(C)C)C1CCCC1 2369515955 JZAWVLMGLXUSLZ-MOPGFXCFSA-N 438.362 5.038 30 10 IKEE N#Cc1c(SCc2ccccc2)nc2c(c1-c1ccccc1)CC/C2=C\c1ccccc1 8399025 ULUYMMFZEHEIJN-HKOYGPOVSA-N 430.576 7.399 30 10 IKEE Cc1ccc(/N=C2\S[C@H](CC(=O)c3ccc(F)cc3)C(=O)N2c2ccc(C)cc2)cc1 15055110 KUYRWPKAEHDXKF-YXTXPOHNSA-N 432.520 5.852 30 10 IKEE COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@@H]3c2ccco2)cc1OC 19633725 OQKPJURGWLAHOG-IVCQMTBJSA-N 441.487 5.062 30 10 IKEE Cc1ccc(N2C(=O)S[C@@H](S/C(=N\c3ccccc3)Nc3ccccc3)C2=O)cc1 20805994 ASEJRRBSOKJNQR-OAQYLSRUSA-N 433.558 6.054 30 10 IKEE CCCCCSc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C1=C(CC(C)(C)CC1=O)N2 20850127 JNIOXNAYSSONJO-IBGZPJMESA-N 431.005 5.872 30 10 IKEE COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(N(C)C)cc2)C3)c1 21222928 YZZLFXQXKMUDBM-MMTVBGGISA-N 439.559 5.741 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccco2)cc1OC 21225474 AYNJACQHVAXUSO-QUGAMOGWSA-N 430.504 5.666 30 10 IKEE CSc1nc(NCCc2nc3ccccc3[nH]2)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 28616536 ALTPSMCDKDSQCE-UHFFFAOYSA-N 442.592 5.566 30 10 IKEE COc1cc(/C=C\C(=O)c2ccc(OC(=O)/C=C/c3ccccc3)cc2)cc(OC)c1OC 34955172 QVFQEHJWYKTJTD-CKOAPEAFSA-N 444.483 5.227 30 10 IKEE C=CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C(C)C)cc1)C(=O)CC 36048123 DAWGRHDNKXPFLI-UHFFFAOYSA-N 430.552 5.026 30 10 IKEE C=CCc1ccccc1OCCCn1c(CCCN2CCCCCC2)nc2ccccc21 39917713 QWYWIUSVAOSIEU-UHFFFAOYSA-N 431.624 6.043 30 10 IKEE C=CCc1ccccc1OCCCn1c([C@@H](C)NC(=O)C2CCCCC2)nc2ccccc21 40188240 PFXPTLGOHBUSPQ-OAQYLSRUSA-N 445.607 5.991 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc(OCc4ccc(C(=O)OC)cc4)c3C)C2=O)cc1 41501929 WZSINOSWVUJTKD-IWIPYMOSSA-N 444.483 5.376 30 10 IKEE CC[C@@H](C)Oc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(OC(C)C)cc1)C2 59530933 CDGXTYGIAJTILE-KKLQWCBXSA-N 447.575 5.655 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OC(=O)c4cccc(OC)c4)ccc3C2=O)cc1 62883585 DSKPCLNYGXYBHQ-MYYYXRDXSA-N 443.499 5.377 30 10 IKEE CCCCCCCCCCCCCCCCOc1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-] 78921850 RMMSTJFHPLJJDS-ZPHPHTNESA-N 433.589 7.553 30 10 IKEE CCCCCCCOc1ccccc1NC(=O)O[C@@H](COCCC)CN1CCCCC1 95828106 MWPFSGMARWJGCQ-JOCHJYFZSA-N 434.621 5.865 30 10 IKEE CCCCCCCCOc1ccc(OC(=O)c2ccc(OCCCCCC)cc2)cc1 97997933 JILNXFQHZJPCMP-UHFFFAOYSA-N 426.597 7.604 30 10 IKEE biogenic CCCCCCCCCCCCCCCCNC(=O)CNc1ccc(NC(=O)CC)cc1 100101965 NXRIONNFVPILRN-UHFFFAOYSA-N 445.692 7.045 30 10 IKEE O=C1C(c2ccccc2)=C[C@@H]([C@@H]2C=C(c3ccccc3)C(=O)c3ccccc32)c2ccccc21 100486431 QSTBAAQYVOEFBU-LOYHVIPDSA-N 438.526 7.114 30 10 IKEE O=C(C[C@@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1 101573468 RTQUVIKQMWQVQF-UOODYVSWSA-N 435.936 5.505 30 10 IKEE C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C/c1ccc(OC(F)F)cc1)C2=O 118919566 PXDOMWMSMCFAEF-FWSAVAQUSA-N 444.562 6.254 30 10 IKEE C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C/c1ccc(OC(F)F)cc1)C2=O 118919567 PXDOMWMSMCFAEF-QLUCMNTRSA-N 444.562 6.254 30 10 IKEE CC(C)Oc1c(Cl)cc(/C=N\n2c(S)nnc2Cc2cccs2)cc1Cl 169914025 WBUKLEABRISNCJ-UKWGHVSLSA-N 427.382 5.195 30 10 IKEE CCCOc1ccc([C@@H]2NC(=S)N(CCC)C(C)=C2C(=O)c2ccccc2)cc1OC 169928783 SEISCQHVUCBRAD-QHCPKHFHSA-N 438.593 5.282 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccc(O)cc2)c1 169965146 CPEGDVPBNUCRET-SANMLTNESA-N 441.527 5.107 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 169975358 SNPAIXSWYYXLDW-QFIPXVFZSA-N 439.527 5.046 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2ccncc2)c1 170019381 FEIZAFFERGUIRG-QFIPXVFZSA-N 432.907 5.443 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2ccncc2)ccc1F 170019462 DAGWULNYCAWWOG-OAQYLSRUSA-N 436.870 5.274 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2ccc(F)cc2)c1 170061549 FWLXQTILOGQZBC-HXUWFJFHSA-N 436.508 5.299 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccc(F)cc2)cc1 170061960 DFXUADWMVBRMCM-QHCPKHFHSA-N 442.446 5.099 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 170062663 KKHYCRZXJIIEFD-NRFANRHFSA-N 437.854 5.271 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2ccccc2F)cc1 170069103 PLWRXZDGCAOVNK-QHCPKHFHSA-N 431.463 5.180 30 10 IKEE CCCCCCCCN1C(=O)C(Sc2ccccc2)=C(c2ccc(Cl)cc2)C1=O 170069840 HTYVMZGNXGFJKX-UHFFFAOYSA-N 427.997 6.573 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C2CCCCC2)cc1 170114759 BVPVAUPNGPABDH-RUZDIDTESA-N 441.527 5.759 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(OC)c(OCC)c1 170127688 PCLHESMOYCHYJX-XMMPIXPASA-N 445.515 5.235 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1ccc(N(C)C)cc1 170129317 BGIQUOZRDLSSQB-QHCPKHFHSA-N 434.580 5.347 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(O)cc2)cc1 170131348 XSBNPPFWOGITCI-HSZRJFAPSA-N 447.462 5.103 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(O)cc2)cc1Cl 170133062 FHPXRNUBBDGDDS-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1cccc(C)c1 170140381 KSDAQDHDIGODDM-JOCHJYFZSA-N 435.426 5.065 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@H]1c1cccc(C)c1 170146957 GMLGDYHZEVGQMG-HXUWFJFHSA-N 427.928 5.344 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@H]1c1ccccc1OC(C)C 170151166 JQOURBNGTHAQPR-JOCHJYFZSA-N 437.536 5.088 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)cc(C)c3OC)[C@@H]2c2cccs2)cc1 170156874 AJRSMFRJTKBQEA-QFIPXVFZSA-N 447.556 5.719 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccncc2)cc1 170200066 AMFKIJYBJPMMEZ-QHCPKHFHSA-N 446.478 5.038 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccncc2)ccc1OC(C)C 170200143 KQIXUTNGLKPAAX-QHCPKHFHSA-N 446.478 5.099 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccccc2)cc1C 170225274 BKPDMWASAQEXIG-AREMUKBSSA-N 433.507 6.240 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccccc2)c1 170225737 IUSDGEBJZPMUJW-DEOSSOPVSA-N 427.500 5.485 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccc2)cc1 170234321 BSPWCXADVUSJII-DEOSSOPVSA-N 445.490 5.393 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccco2)cc1 170285012 ATCTWXWBOYWHIL-HSZRJFAPSA-N 431.488 5.468 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc(OCC(C)C)c3)=C(O)C(=O)N2c2ccccc2C)o1 170305414 RSUKYEDCYYTHIE-XMMPIXPASA-N 445.515 5.714 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1cccc2ccccc12)c1ccncc1 170420800 AAGCUMBMNWIPBQ-XMMPIXPASA-N 438.458 5.152 30 10 IKEE CCOc1cc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2cccc(Cl)c2C)ccc1O 170464227 YCOQRBJQUIWURK-QFIPXVFZSA-N 443.927 5.268 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)NC[C@H]1CCCC[C@H]1C(=O)OC 170506426 HLHLGLYWCAIJOU-JWQCQUIFSA-N 437.709 7.344 30 10 IKEE C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1C/C(=C/c1ccc(OC(F)(F)F)cc1)C2=O 254311528 GAKVNINHIOJQFK-QBDHMZAWSA-N 442.477 6.410 30 10 IKEE C=C(C)CN=c1scc(-c2ccc(C)cc2)n1N=C(C)c1ccc(C2CCCCC2)cc1 254578797 JRGWBLDSWVCQMO-UHFFFAOYSA-N 443.660 7.322 30 10 IKEE COc1cc(Br)cc(C=Nc2ccccc2Sc2c(C)n[nH]c2C)c1O 254845082 GXBZHJOMAWVYEQ-UHFFFAOYSA-N 432.343 5.405 30 10 IKEE C=CCOc1ccccc1CNc1cc(Br)ccc1I 312321937 ZUEYEOCHTGGXIY-UHFFFAOYSA-N 444.110 5.231 30 10 IKEE Cc1ccc(CC(=O)/C=C\c2ccc(NC(=O)OC(C)(C)C)cc2)cc1Br 406123930 VMDBVESUAFEYNP-XFXZXTDPSA-N 430.342 5.930 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(Sc3ccccc3)C2=O)cc1Cl 526659313 OTDXBHOCBVLJGN-UHFFFAOYSA-N 445.931 5.509 30 10 IKEE CCCc1nnc(SCc2ccccc2)n1/N=C\c1c(OCC)ccc2ccccc12 526799024 AZUDKGMOHUOPCL-ONUIUJJFSA-N 430.577 5.957 30 10 IKEE COc1cccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 586250348 CPAIFAISMIZNHN-UHFFFAOYSA-N 434.561 5.260 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2cccc(Cl)c2Br)cc1 719724851 GGBVWEPNMHMQJQ-KRWDZBQOSA-N 435.749 6.417 30 10 IKEE COC(=O)c1ccccc1N=Cc1cccc(OC(=O)c2sc3ccccc3c2Cl)c1 1083958269 NDEKLORHPFVLGC-UHFFFAOYSA-N 449.915 6.311 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)S/C1=N/c1ccc(C(=O)O)c(O)c1 1614234254 HBRMMDHRAATCNS-QUZRMXCXSA-N 437.304 5.021 30 10 IKEE CCCCCCn1c2ccccc2c2nnc(NN=Cc3ccc(Cl)cc3Cl)nc21 1772764608 QZCADVUZQSZBOI-UHFFFAOYSA-N 441.366 6.313 30 10 IKEE O=Cc1cc(-c2c(F)c(F)c(F)c(F)c2F)cnc1-c1c(F)c(F)c(F)c(F)c1F 1848358473 HJSPVBXEHRBKJW-UHFFFAOYSA-N 439.208 5.619 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc3c(OC(=O)c4c(F)cccc4Cl)cccc23)c1 1858929956 KORRPDCBHQDTFJ-UHFFFAOYSA-N 444.849 5.975 30 10 IKEE C=CCN(CC=C)C(=O)Oc1cccc2c(NC(=O)COc3cccc(CC)c3)cccc12 1858950519 UZDZYGCYGUIDPD-UHFFFAOYSA-N 444.531 5.593 30 10 IKEE COc1ccc(-c2csc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n2)cc1 1860802063 PRJDLUXVNQNXAU-UHFFFAOYSA-N 441.603 5.361 30 10 IKEE CCCCCCCCNC(=O)[C@H](NC(=O)c1c(Cl)ccc(Cl)c1OC)[C@@H](C)CC 1861146016 AMFLQERXTIRLKM-HNAYVOBHSA-N 445.431 5.623 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2cc(Cl)cc(Cl)c2)cc1 1862394500 MVUJTQPIUGMWHH-NRFANRHFSA-N 444.358 6.077 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2[C@@H](C)CC)c1 1862406238 YWRABKMPLWCQGQ-GAJHUEQPSA-N 437.536 5.169 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(C(C)C)cc2)cc1C 1862406971 COKKXDWKNCQVKT-VWLOTQADSA-N 447.575 6.038 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccc(F)cc1)c1ccc(F)cc1F 1862414408 ZIFOCJACAVNQMM-NRFANRHFSA-N 429.438 5.405 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccc(F)cc2)cc1 1862442762 KXEVGFCKONSECR-HSZRJFAPSA-N 449.909 5.609 30 10 IKEE CCOc1cc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCC(C)C)ccc1O 1862450602 LXVHKJCHSFENCB-NRFANRHFSA-N 443.927 5.069 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2[C@@H](C)CC)cc1OC 1862453039 QJYFSTLFTMGQMJ-QKKBWIMNSA-N 443.927 5.124 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 1862478846 SAHYAMDMLLUZFF-GAJHUEQPSA-N 442.471 5.243 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCCC2)cc1 1862480134 YOTQNVDBSXBQPB-DEOSSOPVSA-N 433.548 5.695 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccccc2F)c1 1862490060 NBVBZAPPQMPXEJ-DEOSSOPVSA-N 435.539 6.134 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc2cc[nH]c2c1 1862503646 BYHUEKXLCANKAQ-HSZRJFAPSA-N 434.511 5.774 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccccc2C)ccc1F 1862507513 NEGXCTJMHKDREJ-XMMPIXPASA-N 447.481 5.403 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2cccc(F)c2)cc1 1862530779 XWPKLBORTUVHKN-XMMPIXPASA-N 429.491 5.209 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 1862538729 LBGRNKKGWHRFIF-RNODOKPDSA-N 432.347 5.933 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CC)cc1 1862552950 OFTWNXKSCHKUJT-RUZDIDTESA-N 447.575 5.733 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccc3cc[nH]c3c2)c1 1862560098 DTWFQAMAWILHEB-DEOSSOPVSA-N 443.547 5.441 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862586482 USAOIYUROLETAF-INIZCTEOSA-N 445.129 5.898 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862623071 QHCHOZDUMGVJBO-UUOWRZLLSA-N 449.591 6.150 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2cccc(C)c2)cc1F 1862638901 MVHJODJQGIDBHC-MZNJEOGPSA-N 445.490 5.482 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1F 1862642976 JZQPPJIZLYTIKD-GOSISDBHSA-N 438.282 5.128 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1ccc(Cl)c(Cl)c1)c1cccc2ccccc12 1862656084 VXWMBEBZIUEMOM-NRFANRHFSA-N 438.310 5.887 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc2cc[nH]c2c1)c1ccc(F)cc1 1862677770 FVOXKYJCTJDIBL-DEOSSOPVSA-N 440.474 5.128 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1Cc1ccccc1 1862713910 ZQGJXPRKXNLAKH-AREMUKBSSA-N 433.507 5.927 30 10 IKEE Cc1ccc(C2=C(Nc3cccc4c3CCCC4)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862896537 SMLHSZANNIBSGH-UHFFFAOYSA-N 433.511 5.142 30 10 IKEE Cc1ccc(NC2=C(c3ccc(Cl)c(Cl)c3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862914693 WCBWYECHVBDSGC-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE N#Cc1ccc(N2C(=O)C(Nc3ccccc3C(F)(F)F)=C(c3cccs3)C2=O)cc1 1863110496 QVUGRLJCYTZIGZ-UHFFFAOYSA-N 439.418 5.035 30 10 IKEE N#Cc1cccc(NC2=C(c3c[nH]c4ccccc34)C(=O)N(c3cccc(Cl)c3)C2=O)c1 1863126768 HHXPLNLUHVYMOV-UHFFFAOYSA-N 438.874 5.090 30 10 IKEE CCCCCCCCNC1=C(c2cccc3ccccc23)C(=O)N(Cc2ccco2)C1=O 1863578094 KYWRZDSYXXETCY-UHFFFAOYSA-N 430.548 5.663 30 10 IKEE CSc1cccc(N(C(=O)c2cccc(C#N)c2)C2CCN(Cc3ccccc3)CC2)c1 1865855919 FXSAXUZQPSUACZ-UHFFFAOYSA-N 441.600 5.592 30 10 IKEE C=CCOC(=O)c1sc(NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)nc1C 1865997285 AGEZZZOPUQJSDX-SDNWHVSQSA-N 434.517 5.025 30 10 IKEE CCCc1nc(Nc2cccc(C#N)c2)cc(N2CCC(Oc3ccc(Cl)cc3)CC2)n1 1868378566 NXJLQNSDXFBBQR-UHFFFAOYSA-N 447.970 5.746 30 10 IKEE CC(C)(C)CN1CCN(c2cc(Nc3ccccc3C#N)nc(-c3ccc(F)cc3)n2)CC1 1868463448 VPEVCHBUJXVBFI-UHFFFAOYSA-N 444.558 5.066 30 10 IKEE CCn1cc(OCc2cccc(C)c2)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870169097 UDXDJYMTHTZDCN-UHFFFAOYSA-N 433.577 5.240 30 10 IKEE CCCCCCCOc1cn(Cc2cccc(C)c2)c(CSCc2ccccc2)cc1=O 1870251469 LIBPWVOHQJWHPX-UHFFFAOYSA-N 449.660 6.988 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccccc2F)cn1Cc1ccccc1C 1870342431 UPYPGWAXCQWXCF-UHFFFAOYSA-N 432.539 5.097 30 10 IKEE CCCCCCCCn1cc(OCCCCCCC)c(=O)cc1CN1CCN(C)CC1 1870412633 FRZIFCZGNMDJND-UHFFFAOYSA-N 433.681 5.305 30 10 IKEE CCCCCCCOc1cn(CCCCCC)c(CNc2ccc(OC)cc2C)cc1=O 1870839262 DTWGBJRXFUZKGD-UHFFFAOYSA-N 442.644 6.707 30 10 IKEE C=CCn1cc(OCCCOc2cccc(C)c2)c(=O)cc1CNc1ccccc1C(C)C 1871219508 JULCOBJITMZLDC-UHFFFAOYSA-N 446.591 5.926 30 10 IKEE CCCCCCCCCCN=c1[nH]c(Nc2ccc(OC)c([N+](=O)[O-])c2)ncc1[N+](=O)[O-] 1871311318 XPTWJXIVVLLIBW-UHFFFAOYSA-N 446.508 5.020 30 10 IKEE O=C1/C(=C/c2ccccc2Cl)Oc2c1ccc1c2CN(Cc2nc3ccccc3[nH]2)CO1 1871348547 FWVJXFITIMESAV-JJFYIABZSA-N 443.890 5.185 30 10 IKEE CCN(CC)CCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccccc1F)C3=O 1871348823 NYHNEMOLFDPUTN-HAHDFKILSA-N 438.543 5.024 30 10 IKEE C[C@H]1CCCC[C@H]1N1COc2ccc3c(c2C1)O/C(=C\c1ccccc1OC(F)F)C3=O 1871351079 JPBYBADBXKZIGJ-BLWGZLMCSA-N 441.474 5.635 30 10 IKEE COc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN([C@@H]3CCCC[C@H]3C)C4)C2=O)cc1OC 1871355675 GDWZXYZRAFXVGS-TVZDKZMWSA-N 449.547 5.359 30 10 IKEE Cc1c(OC(=O)CCc2ccc(Cl)cc2)ccc2c1O/C(=C\c1ccc(F)cc1)C2=O 1871368438 GSIWHQDQENBDGT-HMAPJEAMSA-N 436.866 5.942 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OC(=O)CCCOc4ccccc4)ccc3C2=O)c1 1871371565 WZXCTCOHPWJDDW-JLPGSUDCSA-N 430.456 5.076 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871387613 GHBSAGUFYXAXHF-JLPGSUDCSA-N 428.484 5.928 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(C)c2)C3=O)c1 1871389238 LZNAKXZVNPCFSH-QRVIBDJDSA-N 428.440 5.146 30 10 IKEE COc1cccc(/C=C2\Oc3c(CN(C)C4CCCCC4)c(O)cc(C)c3C2=O)c1OC 1871393340 FQVXYEXQQALCAU-HMAPJEAMSA-N 437.536 5.099 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2sccc2C)C3=O)cc1 1871411164 LXIIISXQBBUKTK-VOMLJKFNSA-N 433.529 5.641 30 10 IKEE COc1cccc(NC(=O)COc2ccc3c(c2C)O/C(=C\C=C\c2ccccc2)C3=O)c1 1871442109 ZQGBUELYFPORCR-IGBUCQDTSA-N 441.483 5.194 30 10 IKEE CCCCCCCCCCN=c1nc(N2CCCCC2)[nH]c(=Nc2ccc(C)cc2C)[nH]1 1871605352 OKHUENMGTYRTQB-UHFFFAOYSA-N 438.664 5.619 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(OC)cc2C)[nH]c(N2CCC[C@H](C)C2)n1 1871691864 IEWRNMVLFVMETR-IBGZPJMESA-N 440.636 5.363 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)CCOc3ccccc3)n2)cc1C(C)C 1872779359 IBORLHSBKMRDIO-NRFANRHFSA-N 434.561 5.896 30 10 IKEE COc1ccc(OC)c(/C=C/C(=O)[C@H](C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)c1 1872780868 MSXYGGHQTSAPIP-OEAKIKGJSA-N 446.572 5.951 30 10 IKEE COc1cc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(C)c(C)c3)n2)c(OC)cc1Cl 1872781099 OYJXWQARZWUHGM-KRWDZBQOSA-N 440.952 5.517 30 10 IKEE CCCCc1ccc(NC(=O)c2cccc(CSc3nc(C)c(C)c(C)c3C#N)c2)cc1 1872892989 BEALXAJMKCXIJM-UHFFFAOYSA-N 443.616 6.766 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(C(C)(C)C)cc2)=C(c2cccc(Cl)c2Cl)C1=O 1873341936 VMHCZNSVCRPZLS-UHFFFAOYSA-N 429.347 5.669 30 10 IKEE C=CCN(CC=C)c1nc(Nc2ccccc2Sc2ccccc2)c2cnn(C)c2n1 1873490482 DVTHERPBDZIXEH-UHFFFAOYSA-N 428.565 5.437 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc3n[nH]cc3c1)n2CCC 1873620065 SSVBIANJFVIKOH-UHFFFAOYSA-N 447.587 5.742 30 10 IKEE Fc1cccc(CSc2nnc(COc3ccccc3Cl)n2/N=C/c2ccco2)c1 1874267458 YHYRSSRRUPLZKO-WYMPLXKRSA-N 442.903 5.417 30 10 IKEE CCCCC1CCC(c2nnc(SCc3cccc(C)c3)n2/N=C/c2ccccn2)CC1 1874285526 KXCFRQXKSLCIRO-MTDXEUNCSA-N 447.652 6.620 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2)n1/N=C/c1ccccc1OCCC 1874317697 HHBXVJKPHKIAGW-NCELDCMTSA-N 436.581 5.239 30 10 IKEE Cc1ccc(/C=N/n2c(Cc3ccc(Cl)cc3)nnc2SCc2ccccc2)cc1 1874342466 RKBCCTGPQPCQJQ-WGOQTCKBSA-N 432.980 6.005 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccccc2C)c1 1874406480 PMRZTEGWGVSEOF-WGOQTCKBSA-N 434.609 5.898 30 10 IKEE CSc1nnc(C2CCC2)n1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1874491666 CSGRECDMMWBVLB-WGOQTCKBSA-N 428.561 5.882 30 10 IKEE O=C(/C=C/c1cc(Br)ccc1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 1874575502 QPCFLYZIJLAIGH-XYOKQWHBSA-N 438.277 5.832 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(F)c(F)c2)c1OCc1nc(O)c2ccccc2n1 1874584964 JYIZHKNJIRECDT-ZRDIBKRKSA-N 448.425 5.097 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cc(Br)cc(OC)c1OC 1874585591 ZICWQNSPQLXCFH-VQHVLOKHSA-N 433.342 5.669 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2)c(Br)c1OCc1ccc(C)cc1 1874595278 CILHJPCJTMCXJN-WYMLVPIESA-N 437.333 6.241 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2)c(Br)c1OCc1ccccc1 1874596180 IQBJNAUZLILRHA-WYMLVPIESA-N 437.333 6.241 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(Cl)c1OCc1ccc(F)cc1 1874609573 YWDSFIHCGILWSK-AWNIVKPZSA-N 440.898 6.362 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3cccc(Cl)c3)cc2Cl)cc1 1874612458 VZYBILGWGVNRSI-YRNVUSSQSA-N 440.326 6.215 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OCC(=O)Nc1cccc(C)c1 1874613746 LHABBUKJTMPYMR-CCEZHUSRSA-N 441.527 5.646 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc([N+](=O)[O-])c1OCc1ccccc1 1874614171 IQHQFRNAAWQJIS-MDWZMJQESA-N 437.879 6.122 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OCc1ccccc1C 1874629834 XUGUVRJRTPFVCU-WYMLVPIESA-N 428.572 7.103 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)c1ccc(Cl)cc1 1874698222 MLKKYKGEOCWSAI-SWGQDTFXSA-N 437.835 5.372 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2cccc(OC(=O)c3cccc([N+](=O)[O-])c3)c2)c1C 1874710909 MHGZHKNBCCDGFX-VAWYXSNFSA-N 429.472 5.944 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(C)cc2C)CSc2nnc(C3CCC3)n21 1874883692 NLHJYSRFPYMCSH-QFIPXVFZSA-N 440.657 6.225 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(F)cc2)CSc2nnc(CCCC)n21 1874894769 KXXLVXRHDCOMLR-HXUWFJFHSA-N 432.609 5.822 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3ccc(CC)cc3)c(OC)c2)cc1 1875100365 ZYMHQIAEKKYGBK-LFIBNONCSA-N 444.527 5.944 30 10 IKEE O=C(Cc1ccc(Cl)cc1)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1Cl 1875120685 FNBRNKOYBWSGRU-YCRREMRBSA-N 447.264 6.316 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2c(OC)cccc2OC)cc1 1875143731 NSHXLRTUPGYYRK-SDNWHVSQSA-N 432.472 5.136 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)c1ccccc1C 1875166518 KTBSYFKFSPBFCC-SDNWHVSQSA-N 444.527 6.134 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)cc2OC)cc(OC)c1OC(=O)CC(C)C 1875177567 CMYUUNSBGYYPGB-FMIVXFBMSA-N 438.520 5.289 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc(C)cc(C)c3)cc2)c(OCC)c1 1875178092 SUNDJYHKEFIEDY-NTEUORMPSA-N 444.527 6.216 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1ccc(N(C)C)cc1 1875178759 AOUGKLKYSHOJRZ-VGOFMYFVSA-N 429.516 5.493 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC(C)(C)C)c(OC)c2)c(OCC)c1 1875179646 UBSLRKIKVYAXBL-UKTHLTGXSA-N 440.536 5.730 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2cc(C)cc(C)c2)cc1 1875180022 DBPIYANPXBIBRC-JXMROGBWSA-N 434.919 6.389 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc(OC)c1OC(=O)CC(C)C 1875182131 OCKKTDANONNEBK-BQYQJAHWSA-N 446.927 5.522 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cc4ccccc4cc3OC)ccc21 1891185600 IYURPSNZVOAJDA-UHFFFAOYSA-N 430.504 5.038 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1cc(Cl)ccc1I 1922090187 WYZVXAYGUIXGRX-LJQANCHMSA-N 441.740 5.368 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@H](C)c1ccc(NC(=O)OC(C)(C)C)cc1)NCC 1922126770 VYKINTMALNJRBM-NBGIEHNGSA-N 438.612 6.278 30 10 IKEE C=CCN(C(=O)OC(C)(C)C)[C@]1(C#N)[C@H](CNC(=O)OC(C)(C)C)CCCC12CCC2 1924817916 LYJWZUTZOWKFEX-MHECFPHRSA-N 433.593 5.167 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1cscc1Cl 1942310258 WQPGOYAWVGBEHG-OAHLLOKOSA-N 427.751 6.170 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@](C#N)(N(Cc1ccccc1)C(=O)OC(C)(C)C)C2 1953243386 HEWXALKNIAYGKH-FZWXVRBQSA-N 441.572 5.248 30 10 IKEE C=CCC[C@H](C)[C@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 1996467649 RJTSQUOQRHXNJY-KJOQGJGQSA-N 429.649 5.126 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCC1)[C@@]1(C#N)CCC(F)(F)C[C@@H]1OCc1ccccc1 1998813831 JMHKCBAMQDVCEO-NZQKXSOJSA-N 434.527 5.833 30 10 IKEE C=C(COCc1ccccc1)[C@H](NC)[C@@]12CCCC[C@H]1N(C(=O)OC(C)(C)C)CCC2 2000936362 DKKYSPXWLMHHNY-MVERNJQCSA-N 428.617 5.307 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@](C)(C#N)[C@@H]1CCCSC1 2029443079 KKVSBQHAUGNLIL-AUUYWEPGSA-N 425.392 5.616 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@](C#N)(CN(C)C(=O)OC(C)(C)C)C(C)(C)C)c1 2032011648 CIFYEVCYALGULC-VWLOTQADSA-N 445.604 5.912 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCC[C@@H]1CNC(=O)OC(C)(C)C 2032222161 CHZOQOOELVNHAL-MZNJEOGPSA-N 445.560 5.024 30 10 IKEE CCC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2032542003 ROIBBCRBPRQFCH-UQBPGWFLSA-N 449.636 5.876 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CC[C@H](CCNC(=O)OC(C)(C)C)C1 2037231032 IPHCWQRZWWNKLD-KBMIEXCESA-N 443.588 5.714 30 10 IKEE C#CCCCCC[C@H](NCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2041897287 QNFKJQRQSRKLHL-RPLLCQBOSA-N 442.644 5.392 30 10 IKEE CC1(C)CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)[C@@H](OCc2ccccc2)C1 2043777080 MAVNLFXWHQJEMV-HOFKKMOUSA-N 434.580 6.486 30 10 IKEE CCOC(=O)c1c(C(C)(C)C)nn(-c2ccc(F)cc2C(F)(F)F)c1C(F)(F)F 2079035575 GTVLZUYJIQXVTD-UHFFFAOYSA-N 426.332 5.523 30 10 IKEE N#Cc1c(C(F)F)nn([C@H](c2ccc(C(F)(F)F)cc2F)C2CC2)c1Br 2079976621 ADYOLXMRZTVBIL-ZDUSSCGKSA-N 438.169 5.612 30 10 IKEE CCOc1ccc(C(F)(F)F)cc1-c1cc(O)n2nc(C3CCCCC3)c(C#N)c2n1 2080846003 SGVOPKZRGIUXIV-UHFFFAOYSA-N 430.430 5.439 30 10 IKEE Fc1ccc(-c2c(C(F)(F)F)nn3c(Cl)c4c(nc23)CCOC4)cc1C(F)(F)F 2081338198 LTZGEWBYQXAAEM-UHFFFAOYSA-N 439.718 5.299 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 2082161381 MRBSZOGLNZZZAH-MPCDZSKCSA-N 443.588 5.712 30 10 IKEE CC1(C)OB(c2ccc(OCCN(Cc3ccccc3)C3CCCCC3)cc2)OC1(C)C 2095913544 WMDPUFOCOXRDGC-UHFFFAOYSA-N 435.417 5.200 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(Cc2ccccc2)CC1(C)C 2098716668 WXCVZQBCSQAARX-HHHXNRCGSA-N 449.595 5.631 30 10 IKEE C=CCN(CC[C@@H](NCC)c1ccc(Cl)c(Br)c1F)C(=O)OC(C)(C)C 2099294075 AOBIAXSOSPSWJL-OAHLLOKOSA-N 449.792 5.705 30 10 IKEE CC(C)(C)OC(=O)N1CCc2cc(Nc3cc(Br)cc(C#N)c3)ccc2C1 2162331590 UMXKDLNEOVQHSO-UHFFFAOYSA-N 428.330 5.358 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1c1ccc(Nc2ccc(C#N)c(Br)c2)cc1 2162388600 ZZJQHUACWHFELN-HKUYNNGSSA-N 428.330 5.445 30 10 IKEE CCC[C@]1(CNc2cc(Br)c(C#N)cc2F)CCCN1C(=O)OC(C)(C)C 2162409774 JCWBBDRFNSFGSL-HXUWFJFHSA-N 440.357 5.442 30 10 IKEE Cc1ccc(C#N)cc1NC(=O)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2181053616 NLKGKWPWVJPDCG-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCC12CC(F)(F)C2 2230731859 BGMHNQDYMYMOMD-SFHVURJKSA-N 427.289 5.662 30 10 IKEE C=C([C@H](NCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)C(C)(C)C 2237401728 AVFLXCASHYZUAU-OALUTQOASA-N 439.438 5.465 30 10 IKEE C=CC[C@@H](C)[C@H](NCCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237434002 VETKLCTZFRFUJC-UXPWSPDFSA-N 439.438 5.465 30 10 IKEE CC1(C)OB(c2csc(C(=O)N(Cc3ccccc3)CC3CCC3)c2Cl)OC1(C)C 2247802770 WNHCMDMZMUHEEY-UHFFFAOYSA-N 445.821 5.143 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Cl)c(Oc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)c1 2254644673 QIPZFQZIEBQUJT-UHFFFAOYSA-N 446.740 5.174 30 10 IKEE CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2255917367 AQKSVVBZPUZSSQ-NLFFAJNJSA-N 443.588 5.603 30 10 IKEE CCCN[C@@H](CC#CC1CCCC1)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2261127891 GHBPBTWMLHJWCN-DQEYMECFSA-N 442.644 5.439 30 10 IKEE CC(C)(C)OC(=O)NCc1ccc(Nc2cccc(Br)c2C#N)cc1Cl 2266932945 URFDSIBFTGBNHE-UHFFFAOYSA-N 436.737 5.742 30 10 IKEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)C1CCCCC1 2267226583 MLQCJSRAEBTZAX-UHFFFAOYSA-N 433.401 5.269 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)c1sc(C)c(Br)c1C 2275119178 IOMUBXCWYLSAKE-IBGZPJMESA-N 439.371 5.433 30 10 IKEE Cc1ccc(C(=O)C#Cc2cccc(Br)c2)c(NC(=O)OC(C)(C)C)c1C 2296224473 KPIHSKSLYAHITB-UHFFFAOYSA-N 428.326 5.647 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(O)c3CN(CC(C)C)CC(C)C)C2=O)c(OC)c1 2296606599 YNBICIBDNNADEA-UHFFFAOYSA-N 439.552 5.140 30 10 IKEE COc1ccc(COc2ccc3c(c2)OC(=Cc2c(Cl)cccc2Cl)C3=O)cc1 2296865783 HBBMVCLQIHDTNI-UHFFFAOYSA-N 427.283 6.197 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@H]2C=Cc1ccccc1 2313534820 FOHXMBOUDUWYPM-FQEVSTJZSA-N 440.465 5.733 30 10 IKEE CCCCCCCOc1cccc(NC(=S)NC(=O)C=Cc2ccc(Cl)cc2)c1 2313864427 NUWRPHZJMZNIRN-UHFFFAOYSA-N 431.001 6.216 30 10 IKEE CC[C@]1(C)N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2315227681 DBYHPEQBHUXRKK-LOSJGSFVSA-N 449.636 6.018 30 10 IKEE CCCOc1c(C=Nn2c(C)nnc2SCc2cccc(Cl)c2)cccc1OC 2318575015 YCMMGUSAHCPSIU-UHFFFAOYSA-N 430.961 5.212 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2N=Cc2ccccc2Cl)c(C)c1 2320910626 UJKDZFWMENCKNO-UHFFFAOYSA-N 439.972 5.039 30 10 IKEE CCCCCCCCCCN1COc2ccc3c(c2C1)OC(=Cc1ccc(OC)cc1)C3=O 2322130933 VJOOPVDVJWDMQQ-UHFFFAOYSA-N 449.591 6.604 30 10 IKEE COc1cccc(C(=O)C=Cc2c(OCc3c(F)cccc3Cl)ccc3ccccc23)c1 2322371589 XLJSPGFNEGUWIS-UHFFFAOYSA-N 446.905 7.116 30 10 IKEE Cc1c2c(cc3c1OC(=CC=Cc1ccccc1)C3=O)CN(CCc1cccs1)CO2 2322416630 JBGZZJZKWODIPJ-UHFFFAOYSA-N 429.541 5.624 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2c(OCc3ccc(Cl)cc3)ccc3ccccc23)c1 2322616975 ACRBXBNDXSHVDT-UHFFFAOYSA-N 426.943 7.585 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C(C)C)cc2)c1OCc1ccc([N+](=O)[O-])cc1 2322738088 HHXOBVVXTWXXHQ-UHFFFAOYSA-N 431.488 6.202 30 10 IKEE O=C(COc1ccc2ccccc2c1C=CC(=O)c1ccc(F)cc1)Nc1ccc(F)cc1 2322748074 RGUMAIMLZPLWID-UHFFFAOYSA-N 443.449 6.032 30 10 IKEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1ccc(F)c(F)c1)Nc1ccc(F)cc1 2322781847 FPBXMVYGDWUJFU-UHFFFAOYSA-N 445.824 5.671 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC)c(OCC)c2Br)c1 2323260929 XYSUKKBTILHCIZ-UHFFFAOYSA-N 449.341 5.550 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3cccc(C)c3C)c2)cc1Cl 2323310333 UTLYCTCMBQVCEO-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3C)C2=O)cc1 2323332264 ONAKDOBVIMKHSL-UHFFFAOYSA-N 429.428 5.355 30 10 IKEE CCOc1ccc(CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2sccc2C)C3=O)cc1 2323374808 MDWGCUXSCNGLKP-UHFFFAOYSA-N 434.513 5.528 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O)C(Cl)=Cc1ccccc1 2323438065 MIPVTEBQXYLABI-UHFFFAOYSA-N 437.278 6.142 30 10 IKEE CCCCCCOc1c(OC)cc(C=Nn2c(S)nnc2C(CC)CC)cc1[N+](=O)[O-] 2323485855 WZUPHKVFVIMXBP-UHFFFAOYSA-N 449.577 5.229 30 10 IKEE O=C(C=Cc1ccc(OCCc2ccccc2)c(Cl)c1)c1ccc(Cl)cc1Cl 2323512517 YRAZDPHACKSECQ-UHFFFAOYSA-N 431.746 7.164 30 10 IKEE CCOc1cc(C=Nn2c(CC)nnc2SC)ccc1OCc1ccccc1Cl 2323579560 RMFWHILWXYIJLV-UHFFFAOYSA-N 430.961 5.076 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)ccc1OCC(=O)Nc1cccc(C)c1 2323627202 UTWTWRUYGXXRLB-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2C)C3=O)c1 2323858164 MTSDEQBDFMQBEZ-UHFFFAOYSA-N 426.468 5.704 30 10 IKEE Cc1cc(O)c(CN2CCC[C@H](C)C2)c2c1C(=O)C(=Cc1cccc(Br)c1)O2 2324066431 KDHRYBPDFHYMEZ-AWEZNQCLSA-N 442.353 5.311 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1 2324158678 PTSXULUGKZQXSY-UHFFFAOYSA-N 425.355 7.592 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)cc1Cl 2324456087 SGUSJSXBAJQOEA-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE Cc1ccc(OCCCOc2ccc3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)cc1 2324545102 GMJSVLWYDZPNTM-UHFFFAOYSA-N 431.444 5.367 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3cccc([N+](=O)[O-])c3)n2)c(C)c1C 2324706266 ICOBOQDEZSYOGR-LJQANCHMSA-N 433.489 5.233 30 10 IKEE Cc1cc(C)c(COc2cc(C)c3c(c2)OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)cc1C 2324765468 SUNRRZDFYAAPBA-UHFFFAOYSA-N 440.583 7.413 30 10 IKEE Cc1ccc(NC(=O)CCOc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1 2325225494 REAWYYDSWGIDCK-UHFFFAOYSA-N 425.484 5.575 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1sccc1C 2325571627 UBIHYQDCIOADBN-UHFFFAOYSA-N 425.410 6.082 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(OCC)cc1 2325571685 IPUUQQPKVOYKJF-UHFFFAOYSA-N 449.407 6.111 30 10 IKEE COc1ccc(CCOc2cc(C)c3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1 2325631731 QBCBMDORMIBBAL-UHFFFAOYSA-N 428.528 6.365 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccc(Cl)cc1)C2=O 2325714256 CQUDBQIEHMKGFV-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE COc1cccc(C(=O)Oc2cc(C=CC(=O)c3ccc(C(C)C)cc3)ccc2OC)c1 2325750279 CULLHBDLCVLDQG-UHFFFAOYSA-N 430.500 5.943 30 10 IKEE CCOc1ccc(CC(=O)Oc2cc(C=CC(=O)c3ccc(F)cc3)ccc2OC)cc1 2325750855 SOTYABUVPLVFBY-UHFFFAOYSA-N 434.463 5.277 30 10 IKEE COc1ccc(CCC(=O)Oc2cc(C=CC(=O)c3ccc(F)cc3)ccc2OC)cc1 2325751030 HQNFMJWCELYRHA-UHFFFAOYSA-N 434.463 5.277 30 10 IKEE COc1ccc(CC(=O)Oc2cc(C=CC(=O)c3ccc(F)c(F)c3)ccc2OC)cc1 2325752867 FYMFXWJZTPIBQQ-UHFFFAOYSA-N 438.426 5.026 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cn(CC)c2ccccc12 2326358316 UAWXIQAGDQKXRD-UHFFFAOYSA-N 438.000 6.033 30 10 IKEE CCCOc1ccc(C=Nn2c(CC)nnc2SCc2cc(C)cc(C)c2)cc1Cl 2326401195 CETHWFUKMQEZTO-UHFFFAOYSA-N 443.016 6.074 30 10 IKEE CCn1cc(C=Nn2c(C)nnc2SCc2ccc(Cl)c(Cl)c2)c2ccccc21 2326490127 WDGICOWYRPUEMT-UHFFFAOYSA-N 444.391 6.042 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1cn(C)c2ccccc12 2327566029 NKYAQEBWGLYWLC-UHFFFAOYSA-N 437.956 5.163 30 10 IKEE C=CCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1cc(Cl)c(O)c(OC)c1 2329108403 RGPJYKFNFCTYBO-UHFFFAOYSA-N 449.363 5.050 30 10 IKEE COc1ccc(Cc2nnc(SCc3cccc(F)c3)n2N=Cc2ccccc2)cc1 2329257010 WBWQOGLXRCTEJL-UHFFFAOYSA-N 432.524 5.191 30 10 IKEE C=CCSc1nnc(COCc2ccccc2)n1N=Cc1ccc(N(CC)CC)cc1 2329351828 VCJGGDGNAYIWPV-UHFFFAOYSA-N 435.597 5.001 30 10 IKEE Cc1cccc(CSc2nnc(CCc3cccs3)n2N=Cc2ccccc2C)c1 2329641365 WWAMKASMVANAPU-UHFFFAOYSA-N 432.618 5.916 30 10 IKEE COc1cccc(C=Nn2c(Cc3cccs3)nnc2SCc2ccc(C)cc2)c1 2330315464 NCFNGUCFRSNSIF-UHFFFAOYSA-N 434.590 5.422 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3ccccc3c2)cc([N+](=O)[O-])c1OC(=O)C1CC1 2330668948 MWULBXJJAYLZOT-UHFFFAOYSA-N 431.444 5.358 30 10 IKEE Cc1ccsc1C(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1Cl 2330683234 GOWFJJXLBPKUJV-UHFFFAOYSA-N 436.960 6.704 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(Cl)c1OC(=O)COC 2330690389 NDFZHJHQHMUGGZ-UHFFFAOYSA-N 428.912 5.065 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(Cl)c3)c([N+](=O)[O-])c2)cc1 2330750116 HHXMUZPCAIDPRD-UHFFFAOYSA-N 435.863 5.926 30 10 IKEE Clc1ccccc1CSc1nnc([C@@H]2CCCO2)n1N=Cc1c[nH]c2ccccc12 2330965824 SMKFBGBKWOYQAT-FQEVSTJZSA-N 437.956 5.439 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3cccc(C)c3C)c(OC)c2)cc1 2330990192 VIYCFYFVXLSOLS-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE O=[N+]([O-])c1ccccc1C=Nn1c(SCc2ccccc2Cl)nnc1C1CCCC1 2331076144 CGTBOKDNGLWZHZ-UHFFFAOYSA-N 441.944 5.672 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCCc2ccccc2)nnc1C1CCCC1 2331078076 YSDLVWOLMAOPFD-UHFFFAOYSA-N 434.609 5.942 30 10 IKEE O=C(CSc1nnc(C2CCCC2)n1N=Cc1ccccc1Cl)NC1CCCCC1 2331079498 SOUHHNOAAOQKQU-UHFFFAOYSA-N 446.020 5.012 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OC(=O)Cc1ccc(F)cc1 2331100816 MIDHBFIROGEQQZ-UHFFFAOYSA-N 440.417 5.547 30 10 IKEE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc(C=CC(=O)c3cccc(Cl)c3)cc2)cc1 2331116110 KWHZHCKNGLBGIX-LJQANCHMSA-N 448.946 6.732 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccc(C)c(C)c3)cc2)cc1 2331294278 KEWYTICNAFGEHY-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE Cc1ccccc1CSc1nnc(CC(C)C)n1N=Cc1ccc(Cl)cc1Cl 2331432766 WJWDXIBQQMOKTA-UHFFFAOYSA-N 433.408 6.266 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1)c1ccc(Cl)c(Cl)c1 2331468627 GIAIOMMCRICNBC-UHFFFAOYSA-N 447.317 7.262 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)c1cncc(C)c1 2331512223 PRMSUTBZTVNTAO-UHFFFAOYSA-N 425.843 5.306 30 10 IKEE COCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1c[nH]c2ccccc12 2331611832 LGBJLJJJIUGSRE-UHFFFAOYSA-N 446.363 5.387 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1cccc(Cl)c1 2331657833 SPWRCXULIRMTCK-UHFFFAOYSA-N 448.946 6.698 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)Cc2cc(C)ccc2C)cc1 2331659417 YUNVJOUWLKFNGF-UHFFFAOYSA-N 428.528 5.973 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2ccc(C(C)C)cc2)cc1 2331684506 JWLNIOJSQFYGMA-UHFFFAOYSA-N 449.624 5.700 30 10 IKEE CC1(C)C[C@@H]1C#C[C@H](N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2339566448 JTCXHNCIVBHWAX-VBOOUTDYSA-N 441.571 5.255 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCC[C@]23C[C@H](CO2)[C@@H]31 2354171813 NZBCEGXPCBSOLN-DETPAEQWSA-N 433.346 5.042 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(Nc2cccc(Br)c2)[C@@H]1C(F)(F)F 2370240395 LNIYQMRWWUXDJI-PBHICJAKSA-N 448.283 5.085 30 10 IKEE C=CCn1c(/C=C(\OC(=O)c2ccccc2Cl)c2ccccc2Cl)nc2ccccc21 8892328 DMVWZXPNMCKVFE-KQWNVCNZSA-N 449.337 6.884 30 10 IKEE C=C(C)CN1C(=O)COc2cc(NC(=O)CC(c3ccccc3)c3ccccc3)ccc21 12169530 WZNDPOKPBMNLHL-UHFFFAOYSA-N 426.516 5.149 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)c2cccc(Oc3ccccc3)c2)nc2ccccc12 12239548 UCCNKUPAKPKAAY-UHFFFAOYSA-N 445.482 5.645 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)CCSc2nnc(NN=C3CCCCCC3)[nH]2)cc1 20837730 MAFZKMDLDJHGLR-MRXNPFEDSA-N 428.606 5.561 30 10 IKEE CCc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(Oc3ccccc3)c2)cc1 21223769 RQQGGBYSRLYULO-RCZVLFRGSA-N 437.539 6.046 30 10 IKEE CC(C)Oc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(O)c2)cc1 21249265 UFMKBAKFKLXUTR-WTYVLRPYSA-N 440.543 6.159 30 10 IKEE O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@@H](c1ccc(O)c([N+](=O)[O-])c1)Nc1ccccc1N2 21251245 IQFYJOASILEHTC-IVCQMTBJSA-N 445.450 5.419 30 10 IKEE CCOc1cc(/C=C2\S/C(=N/Cc3ccccc3)N(Cc3ccccc3)C2=O)ccc1O 33097100 BKSBJZRIXRIOKB-AGGBOBLOSA-N 444.556 5.464 30 10 IKEE C=Cc1ccc(COc2ccc3c(c2)O/C(=C\c2cccc(Br)c2)C3=O)cc1 33367975 RKFOKUSCBQNTRO-QRVIBDJDSA-N 433.301 6.287 30 10 IKEE C=CCc1ccc(OCCCn2c(-c3cccc(OC)c3)nc3ccccc32)c(OC)c1 40250163 CAIULJCJLKBLKZ-UHFFFAOYSA-N 428.532 5.918 30 10 IKEE CCCCCCCCCCCCCCCCCCCCCC(=O)Nc1cccc(C)c1 100461776 ASIZHOFLZZUMOB-UHFFFAOYSA-N 429.733 9.755 30 10 IKEE CCCCCCCOc1c(Cl)cc(C(=O)Nc2cc(Cl)ccc2OC)cc1Cl 101138416 ZRTRVNBVBSYKSR-UHFFFAOYSA-N 444.786 7.257 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(Nc2ccccc2F)c1N 101531469 JSEGDIMDFLIQAO-UHFFFAOYSA-N 443.655 7.835 30 10 IKEE CCOc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc(Cl)c1 169879203 ALKSZPPUTJMLIN-ZVHZXABRSA-N 425.872 5.672 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccc(OC)cc2)cc1 169923522 LZJCJLPZSGOAEP-AREMUKBSSA-N 441.527 5.360 30 10 IKEE CCOc1cc(/C=C2\CN(Cc3ccccc3)CCC2=O)cc(Br)c1OCC 169940723 NGWQOSXUFZQPCR-XDHOZWIPSA-N 444.369 5.105 30 10 IKEE CCOc1cc(OCC)c([N+](=O)[O-])cc1/C=N\Nc1nc(-c2cccs2)c(C)s1 169942273 GEBIXGVGDOKQQC-JAIQZWGSSA-N 432.527 5.332 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2cccc(C)c2)cc1 169968324 NKPRJRYXUUYIOX-QHCPKHFHSA-N 433.454 5.619 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccs1 169984298 ZFDRGLUAEJXUHR-IBGZPJMESA-N 427.884 5.632 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1cccs1 169985466 SOPSAATXTTXKLN-HXUWFJFHSA-N 439.920 5.501 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccccc2C)cc1 170029953 FXIZORBPIJJLSG-XMMPIXPASA-N 427.500 5.485 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1ccccc1)c1cc2ccccc2o1 170055197 VDOFTLSGZKTHIK-DEOSSOPVSA-N 441.458 5.393 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2C2CCCCC2)c1 170119327 HOZZFSDUKHRHMG-DEOSSOPVSA-N 449.547 5.393 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccc(O)cc1)c1ccc2c(c1)CCCC2 170131271 VFFWVHGDHRBPDY-DEOSSOPVSA-N 443.474 5.193 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C2CCCCC2)c1 170145473 TUTYRZYAKVWOSL-VWLOTQADSA-N 425.528 6.059 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccncc2)c1 170200397 VVUSSRVGWPAZTC-VWLOTQADSA-N 434.495 5.635 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCC)cc1 170216084 HEXRLULLTIVZOV-QFIPXVFZSA-N 425.500 5.301 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccccc2)cc1 170229194 UNAOHMPEPLMMFT-HSZRJFAPSA-N 449.453 5.535 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccccc1 170233874 GTWWIUZTPFQLDC-LJQANCHMSA-N 446.330 5.523 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C2CCCC2)cc1 170268594 RIFPVOZDIQKKEV-RUZDIDTESA-N 425.528 5.923 30 10 IKEE Cc1cc([N+](=O)[O-])cc(C=Nc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1O 254463244 MQGLXKZONDACEC-UHFFFAOYSA-N 443.381 5.631 30 10 IKEE CCCCCOc1ccc(S(=O)(=O)Nc2ccccc2C(=NO)c2ccccc2)cc1 254705972 RWAHGZCXVIGHCG-UHFFFAOYSA-N 438.549 5.283 30 10 IKEE C=C1/C(=C/C=C2\CCC[C@]3(C)C([C@H](C)C/C=C\C(O)(CC)CC)=CC[C@H]23)C[C@H](O)C[C@@H]1F 256429103 LRLWXBHFPGSUOX-XPAWTLHISA-N 442.659 7.158 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2cccc(Cl)c2Cl)c1 526515241 ILEPRTNMGMIKHK-LJQANCHMSA-N 427.312 5.984 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1cccc(C(F)(F)F)c1 526802180 FIJFOTUUGXZHSS-ZMFRSBBQSA-N 436.478 5.953 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1ccc(OCCC)cc1 526803142 SLRISPKWJIIUGK-XYGWBWBKSA-N 426.561 5.723 30 10 IKEE CCCCOc1cccc(/C=N\n2c(CCCC)nnc2SCc2cccc(C)c2)c1 526808445 JETSPPSHZFRWFR-ITYLOYPMSA-N 436.625 6.283 30 10 IKEE CCc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccc(OC(C)C)c(OC)c1 526816943 QOINGANAPUVQOM-CFRMEGHHSA-N 444.988 5.464 30 10 IKEE Cc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccc(OCC(C)C)cc1 526821540 XYTYYDUZHAWCGV-YSMPRRRNSA-N 430.577 5.949 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1ccc(Cl)c(Cl)c1 526822114 GBVAQJVCIOEXLE-MXAYSNPKSA-N 444.391 5.974 30 10 IKEE CCCCc1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 586260048 JLGCZKZPYITGMJ-UHFFFAOYSA-N 438.980 5.950 30 10 IKEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1ccc(Br)cc1Cl 698375727 JTSGGWQQDNYCNT-QGZVFWFLSA-N 444.801 5.246 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCc2cc(F)ccc21 698470272 PFQWUFSKWIEKMN-NRFANRHFSA-N 431.305 5.695 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@H](C#N)c1ccc(Cl)cc1Br 698830738 XGLBKXXMPGQRKP-GOSISDBHSA-N 441.797 6.627 30 10 IKEE COc1ccc(Br)cc1[C@H](C#N)OC(=O)[C@H]1[C@H](C=C(Cl)Cl)C1(C)C 1088723974 BZVTYPJSGVSKGQ-CORIIIEPSA-N 433.129 5.157 30 10 IKEE C=CCN(Cc1ccccc1)c1nnc(C(C)(C)C)n1Cc1ccc(OCC2CC2)nc1 1508000964 HEGWKYYZYDFPHI-UHFFFAOYSA-N 431.584 5.000 30 10 IKEE CC(=C/c1ccccc1)/C=C1/SC(=Nc2cccnc2Cl)N(C2CCCCC2)C1=O 1772734599 QBLZUOUUZBQXBP-YUMOGVOISA-N 437.996 6.618 30 10 IKEE C=CCN1C(=O)/C(=C(\C)c2ccc(OC)cc2)SC1=Nc1nc(-c2ccccc2)cs1 1772739951 WXTSKYOPFWWQPU-YKXMXDARSA-N 447.585 5.999 30 10 IKEE COc1ccc(-c2c(C)sc3nc(C(C)C)n(Cc4cccc(C#N)c4)c(=O)c23)cc1C 1857802498 UPOADJXUNSWJQI-UHFFFAOYSA-N 443.572 5.794 30 10 IKEE COc1ccccc1Nc1nc(CC(=O)Nc2scc(C(C)(C)C)c2C#N)cs1 1860825584 KUKOPCVHXSWIKE-UHFFFAOYSA-N 426.567 5.307 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)c1cc(OC)ccc1[N+](=O)[O-] 1861340961 LXZWVDVGTPAGHV-OAQYLSRUSA-N 449.592 5.149 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)COc1ccc(C)c(C)c1 1861648499 LWXFCPWZUMQUGN-DEOSSOPVSA-N 432.649 5.614 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2)cc1 1862387342 HVLHWWZLGTWXSJ-DEOSSOPVSA-N 426.516 5.203 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2ccccc2)cc1 1862390016 TVALLHYTEJHJER-AREMUKBSSA-N 439.555 6.116 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(F)c2)cc1 1862391088 SEJDFUPLXIGTAF-DEOSSOPVSA-N 444.506 5.342 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2ccccc2)cc1C 1862397310 ITJTWBNPIDBYSD-DEOSSOPVSA-N 427.500 5.091 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CCCC2)cc1 1862435514 XMYICFHRFVHOGE-JOCHJYFZSA-N 437.967 6.158 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 1862475409 KXUHEUOWJPGYPQ-QHCPKHFHSA-N 431.919 5.469 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccccc1F 1862501365 BCOBACPQFOYXOB-WZONZLPQSA-N 441.518 6.210 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1cccc2ccccc12 1862528600 ZNFQTCLENNGJQT-FQEVSTJZSA-N 436.305 5.201 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccccc1[N+](=O)[O-] 1862547060 LUQZOSZUNFVSBO-HSZRJFAPSA-N 448.519 5.098 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1cccc(Cl)c1 1862591872 QAEAPSWFIKENGC-SIKLNZKXSA-N 441.955 5.983 30 10 IKEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862620372 QRCPQANOJINGIU-SBUREZEXSA-N 449.591 5.241 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1 1862675828 UZMDLFBJWYKNBK-IVZQSRNASA-N 435.882 5.819 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc(Cl)c1)c1ccc2ccccc2c1 1862711756 BVTDPMKNJRNQEZ-HSZRJFAPSA-N 443.886 5.865 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(O)cc1 1862712814 AHRMWTSFSHQCCM-QYBDOPJKSA-N 449.506 5.885 30 10 IKEE N#Cc1ccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3ccccc3Cl)C2=O)cc1 1862800875 PMQSXYGQMULGAF-UHFFFAOYSA-N 434.282 5.262 30 10 IKEE CC(C)c1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3c[nH]c4ccccc34)C2=O)cc1 1863129721 QSXOMZKHNGZRDC-UHFFFAOYSA-N 446.510 5.560 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(C)ccc2OC)=C(c2ccc(C)c(C)c2)C1=O 1863252111 NKWNGUPVRDUQQJ-UHFFFAOYSA-N 448.607 6.173 30 10 IKEE COc1ccc2c(c1)[C@@H](c1ccccc1)N(c1cc(Nc3ccc(C#N)cc3)nc(C)n1)CC2 1868496675 GVLVEJKKVYKLOB-MUUNZHRXSA-N 447.542 5.561 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)nc(C(C)C)n1 1869105000 BEMXULBIJJHRHO-HXUWFJFHSA-N 430.518 6.139 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3cc4ccccc4nc32)nc(-c2ccccc2C)n1 1869137390 XNPIIRFRXQGFJW-UHFFFAOYSA-N 433.559 5.873 30 10 IKEE CCCCc1ccc(-n2nnc(C#N)c2NC(=O)C(c2ccccc2)c2ccccc2)cc1 1870139326 KOSHPHZCHSNGAU-UHFFFAOYSA-N 435.531 5.252 30 10 IKEE C=CCn1cc(OCCOc2cccc3ccccc23)c(=O)cc1CN1C[C@@H](C)C[C@@H](C)C1 1870593109 GRRXJDCPJIEAPS-SZPZYZBQSA-N 446.591 5.123 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2c(Cl)cccc2Cl)cn1CCC(C)C 1870603755 IDGBXWPWXKBNOH-UHFFFAOYSA-N 449.422 5.954 30 10 IKEE CCCCCCCCn1cc(OCCCCCC)c(=O)cc1CN(CCC)CCCC 1870676148 BSQBWTBAHRUREC-UHFFFAOYSA-N 434.709 7.180 30 10 IKEE C=CCOc1cn(CCc2c[nH]c3ccccc23)c(CNc2ccccc2C(C)C)cc1=O 1870809138 OYFOPTSDFMDVOX-UHFFFAOYSA-N 441.575 5.873 30 10 IKEE C=CCOc1cn(Cc2ccc(OC)cc2)c(CNc2ccc(OCCCC)cc2)cc1=O 1870813431 KVBZCUVCHUMVOL-UHFFFAOYSA-N 448.563 5.261 30 10 IKEE CCCCCCCOc1cn(CCCCC)c(CNc2ccc(NC(C)=O)cc2)cc1=O 1870837505 JROZDEMAHQQQPH-UHFFFAOYSA-N 441.616 5.958 30 10 IKEE CCCCCCCOc1cn(CCCCC)c(CNc2ccc(Cl)c(C)c2)cc1=O 1870837779 XZRBJJXZHAOCNQ-UHFFFAOYSA-N 433.036 6.962 30 10 IKEE CCCCCCCCn1cc(OCc2cccc(C)c2)c(=O)cc1CNc1ccccc1 1871070827 ACXVQKBKAXVLLM-UHFFFAOYSA-N 432.608 6.708 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1cccc(F)c1)O3)CN(CCc1ccc(Cl)cc1)CO2 1871344557 MDNQBHRLCZHGMA-QRVIBDJDSA-N 449.909 5.798 30 10 IKEE CC(C)COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)c1 1871379421 QWPBPURQRPUYQW-MSXFZWOLSA-N 448.902 6.210 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(-n5cccc5)cc4)ccc3C2=O)cc1 1871384457 SLUCAKPRGSHOPT-PKAZHMFMSA-N 449.506 6.436 30 10 IKEE C=CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(CC)cc2)C3=O)cc1 1871389751 NGKYIXYXDADOLR-XYGWBWBKSA-N 440.495 5.958 30 10 IKEE Cc1cccc(OCCCOc2ccc3c(c2C)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)c1 1871407141 YFHMYTBJJYCCMS-JLPGSUDCSA-N 445.471 5.676 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(O[C@@H](C)C(=O)Nc3cccc(C)c3C)ccc2C1=O 1871414319 SJUHRIDJVYVUNI-RIWZNOJBSA-N 433.529 5.696 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OCC(=O)OCC(C)C)cc(C)c3C2=O)cc1 1871427496 HCCIWJGRVHISIJ-QRVIBDJDSA-N 437.536 5.035 30 10 IKEE Cc1cc(OCCC(=O)OCCC(C)C)cc2c1C(=O)/C(=C/c1c(F)cccc1Cl)O2 1871429045 GGXFNIMDDUMXOG-BKUYFWCQSA-N 446.902 5.762 30 10 IKEE COc1cccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccccc3Cl)n2)c1 1872761968 AEPSCONIGWJLQG-KRWDZBQOSA-N 426.925 5.508 30 10 IKEE Cc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1C 1872769423 RSGZIJBMLRRMDB-MRXNPFEDSA-N 431.344 5.989 30 10 IKEE COc1cc(OC)c(-c2csc([C@@H](C#N)C(=O)Cc3ccc(Cl)cc3)n2)cc1Cl 1872782088 CWOJPFDEUMCFJW-HNNXBMFYSA-N 447.343 5.553 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc2c(NCCC(C)C)ncnc21 1873611283 ROUJHKHYFCKDHX-UHFFFAOYSA-N 447.461 5.226 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(C)c(Cl)c1)n2Cc1ccccc1 1873612600 DKPNCDHEIAYZGY-UHFFFAOYSA-N 431.927 5.292 30 10 IKEE CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccc(Cl)c(Cl)c1 1874241871 COJGESWANZSZPS-WYMPLXKRSA-N 435.424 5.948 30 10 IKEE C=C(C)CSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1ccc(F)cc1F 1874246246 UYENRVSIDCYKAC-VULFUBBASA-N 442.535 5.427 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2/N=C/c2ccccc2O)c1 1874357636 RNCMULIKJKJDOT-JVWAILMASA-N 442.588 5.674 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3F)n2/N=C/c2sccc2C)cc1 1874373507 SCTSSNMCJLNKNS-AFUMVMLFSA-N 436.581 5.861 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccncc1 1874440685 OCZVEFKLRBBURS-WYMPLXKRSA-N 434.396 5.743 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2cccc(F)c2)nnc1[C@@H]1CCCO1 1874447816 MPSWSECMHFSSRU-XAOCGEIJSA-N 438.528 5.008 30 10 IKEE O=C(CSc1nnc(C2CCCC2)n1/N=C/c1c[nH]c2ccccc12)Nc1ccccc1 1874452216 JWBNQBXUBURMTE-CVKSISIWSA-N 444.564 5.030 30 10 IKEE Oc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C2CCCC2)c1 1874457101 AMNNECMALOQYQL-WYMPLXKRSA-N 447.391 6.123 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(C(C)C)cc1 1874480070 GSHWTACTPCMSID-MFKUBSTISA-N 427.017 6.572 30 10 IKEE Fc1cccc(Cl)c1CSc1nncn1/N=C/c1cccc(Br)c1 1874540398 NHYJMZSQLZPPFS-ODCIPOBUSA-N 425.714 5.008 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1ccc(F)cc1)c1ccc(-c2ccccc2)cc1 1874570169 QNODAAONOXFRFW-FOWTUZBSSA-N 442.917 7.621 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)N[C@@H](C)c2ccccc2)cc1 1874575871 LDIHSWRXZDKQGU-MDNBWPLSSA-N 449.934 5.501 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2cccc(Cl)c2)c1OCc1cccc(F)c1 1874577552 UJBYAYNTXNKVGT-CMDGGOBGSA-N 431.290 6.616 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(F)c(C)c2)c1OCc1ccccc1F 1874581307 HCANGDLNDNHDEZ-CSKARUKUSA-N 428.862 6.410 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2ccccc2Cl)c(C)c1C 1874586243 CHNAUHBYZKKSNK-WYMLVPIESA-N 436.935 6.449 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)c1OCCc1ccccc1 1874589063 QYJSTEKQTCYBDO-OUKQBFOZSA-N 436.935 6.183 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1 1874602207 ZHWMDNIMRZSXLM-VAWYXSNFSA-N 437.879 6.122 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1)Nc1nccs1 1874605740 CVWDHDUCWPRKJU-FPYGCLRLSA-N 433.316 5.364 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Br)c1OCCCO 1874624206 RCMOTDLBGDJHRE-BJMVGYQFSA-N 433.342 5.238 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)C3CCCC3)c2)cc1OCCC 1874699260 MHVZADNYQOMOEA-WYMLVPIESA-N 436.548 6.256 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1cccc(/C=C/C(=O)c2ccc(F)cc2F)c1 1874699953 UUAHKIQLTDDVPF-JLHYYAGUSA-N 438.426 5.244 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccc(C)c(C)c3)c2)cc1 1874700521 XSAKYBOAKXKZFU-RIYZIHGNSA-N 444.527 5.755 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)Cc2ccc(C)cc2)c1 1874715661 ZVMWUXWWFJJPMX-VAWYXSNFSA-N 434.919 6.010 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(Cl)c(Cl)c2)CSc2nncn21 1874811383 FDYSEDMBKJUOAW-KRWDZBQOSA-N 427.401 5.647 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)c1ccccc1 1875120176 GIDUWTQPNJROGT-JXMROGBWSA-N 428.818 5.742 30 10 IKEE O=C(Cc1ccc(Cl)cc1)Oc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1Cl 1875121546 VANZXJFFNCRLLT-UXBLZVDNSA-N 445.729 6.691 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc(Cl)c3)cc2Cl)cc1 1875121626 YXPKMWZAUUSDQD-WUXMJOGZSA-N 441.310 6.507 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3)cc2)cc1OCCC 1875123888 IXDHTTDZSADFPV-FOWTUZBSSA-N 444.527 6.380 30 10 IKEE COc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1Cl 1875133361 RBUSFIRDGNDIFX-UKTHLTGXSA-N 436.891 5.538 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(OCC)c(OC(=O)CCC)c([N+](=O)[O-])c2)cc1 1875138566 QUYAOZOZRNQTPA-MDWZMJQESA-N 441.480 5.384 30 10 IKEE CCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1OC 1875149437 QCOHKCHFJKGWBQ-KPKJPENVSA-N 445.353 5.967 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)cc2F)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 1875162555 NYWQEQPTNNADKB-LREOWRDNSA-N 445.324 5.267 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)c(OC)cc2OC)cc1 1875173654 SDWIYXJBECVHED-SDNWHVSQSA-N 430.928 6.129 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)Cc1ccc(F)cc1 1875175442 PHOQTZIIZIWVGS-XYOKQWHBSA-N 448.490 5.504 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c4ccccc34)cc2)cc1 1875190017 FYFXELCHSUPTHQ-RQZCQDPDSA-N 438.479 5.972 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3OC)c(OC)c2)cc1C 1875191328 HYQUEWHZJUAFLR-ZRDIBKRKSA-N 446.499 5.445 30 10 IKEE Cc1ccccc1CCC(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1 1875191520 QHUMLQHCOVFTMF-RIYZIHGNSA-N 439.338 6.736 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N(CCC)CCCC)n2CCC 1875205358 PVJKPTAUNFGKGZ-UHFFFAOYSA-N 429.653 6.266 30 10 IKEE N#Cc1cccnc1OC1CCN(C(=O)c2cc(Cl)c(Cl)c(Cl)c2Cl)CC1 1891932100 ZWPSRPRUKFTXDS-UHFFFAOYSA-N 445.133 5.250 30 10 IKEE CC#CC[C@@H](COc1cc(Br)ccc1C(F)(F)F)NC(=O)OC(C)(C)C 1903151476 JRIFUKMIPBZDNF-ZDUSSCGKSA-N 436.268 5.153 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1ccc(Cl)c(NC(=O)OC(C)(C)C)c1 1922055901 VNSMLODPFXSWJY-QHCPKHFHSA-N 445.003 6.501 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](O)c1ccc(Cl)c(Br)c1 1922069880 UWUUVIMBGKBWSW-LEWJYISDSA-N 438.793 5.277 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC[C@H](CC)CCNC(=O)OC(C)(C)C)NCCC 1922078000 SLADYPUXVIHCKC-UPVQGACJSA-N 432.649 5.849 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)c1cccs1 1922079030 BNSNCSZWEILBLR-FCHUYYIVSA-N 430.614 5.455 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1cccc(Br)c1Br 1922091272 HSLJNLIHBWRCAY-LJQANCHMSA-N 439.191 5.635 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@H]1Nc1cc(Br)ccc1C#N 1924914648 OTWVUMQQQGJSPO-YJBOKZPZSA-N 434.378 5.206 30 10 IKEE C=C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)([C@H](C(=O)O)C1CC1)C(C)(C)C 1957759548 ZYSGKGAIEVGZCM-WNCULLNHSA-N 433.548 5.607 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@]2(C)CCN2C(=O)OC(C)(C)C)c1 1999896502 IRBZWGDDNYHBBU-ZEQRLZLVSA-N 429.561 5.418 30 10 IKEE C=CCCCCCCCCC[C@@H](CN(Cc1ccccc1)C(=O)OC(C)(C)C)NCC 2026315430 ZNSXMKPYIYHPHE-VWLOTQADSA-N 430.677 7.099 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2031501532 ZQNUAWICUUTYLL-DVECYGJZSA-N 447.551 5.687 30 10 IKEE CCCCCCCCCC[C@@H](NCC)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2034441929 XRKYYBDOVJYODY-RPBOFIJWSA-N 448.692 6.605 30 10 IKEE CCCCCCCC[C@@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 2035465884 XAJIHPUCKHOCHR-LOSJGSFVSA-N 448.692 6.605 30 10 IKEE C=CCCCCC[C@H](NCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2041904375 YYGMJKYDZZOZSX-RPLLCQBOSA-N 444.660 5.945 30 10 IKEE CC1(c2nn([C@@H](c3ccc(C(F)(F)F)cc3)C3CC3)c(Br)c2C=NO)CC1 2079895224 QGFJZVLMBSSJPH-OAHLLOKOSA-N 442.279 5.523 30 10 IKEE CCOc1ccc([C@@H](n2nc(C(F)(F)F)c(C=NO)c2Br)C2(C)CC2)cc1 2080113792 PRKHGGAFRKUVGD-OAHLLOKOSA-N 446.267 5.261 30 10 IKEE Cc1ccc(F)c(-c2c(C3CCCCC3)nn3c(Cl)c(C#N)cnc23)c1Br 2081422625 YXYLWWIZWPTYNU-UHFFFAOYSA-N 447.739 6.179 30 10 IKEE CC1(C)OB(c2cnc(Oc3cc(Cl)ccc3Cl)c(Br)c2)OC1(C)C 2115996617 QLMNMFASWDMTMD-UHFFFAOYSA-N 444.949 5.242 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@@]2(C#N)Nc2ccccc2Br)C1 2156252958 ZSGGQCORILLHEN-SFTDATJTSA-N 434.378 5.325 30 10 IKEE CC(C)(C)OC(=O)NCc1ccccc1CNc1cc(Br)c(C#N)cc1F 2162351216 YHVMWFLGTFMHIT-UHFFFAOYSA-N 434.309 5.097 30 10 IKEE C=CCN(CC(=C)Br)C(=O)C[C@@H](C)c1ccc(NC(=O)OC(C)(C)C)cc1 2180919885 DKSUTCZJOPQQQI-OAHLLOKOSA-N 437.378 5.450 30 10 IKEE CCCCCCC[C@@H](O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229102399 WTVOVHCXSAUMCF-RBUKOAKNSA-N 428.411 5.606 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C(=O)C#Cc2cccc(Cl)c2)cc1Br 2231101846 AJMHXPRKWLAUOP-UHFFFAOYSA-N 434.717 5.684 30 10 IKEE C=CCN(CC[C@@H](NCCC)c1cc(C)c(Br)c(C)c1)C(=O)OC(C)(C)C 2235613841 BLBOUFVQPGUTIX-LJQANCHMSA-N 439.438 5.920 30 10 IKEE C=CC[C@H](C)[C@@H](NCCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237403776 YXVCNNLPLGBCMT-FFZOFVMBSA-N 439.438 5.465 30 10 IKEE Cc1ccc(C#N)cc1NC(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21 2243917865 XYKIZOTWYPRBEN-UHFFFAOYSA-N 439.515 5.124 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1sc(Br)c(C)c1C 2254700439 ZHUQCFRVXOGRTC-LSDHHAIUSA-N 431.440 5.638 30 10 IKEE CC(C)(C)OC(=O)NC[C@]1(C)CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2258857851 SVXYIQRDALWQQH-ZEQRLZLVSA-N 447.551 5.544 30 10 IKEE CN[C@H](C#CC1CCCC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2260938425 VCANDCAMMCGGCO-HHHXNRCGSA-N 425.572 6.299 30 10 IKEE N[C@@H](C#Cc1cccc(Br)c1)c1csc(Br)c1Br 2264183659 CGJHGHIUQTZYSP-NSHDSACASA-N 449.993 5.087 30 10 IKEE CC1(C)OB(c2ccnc(Oc3ccc(Cl)c(Cl)c3Br)c2)OC1(C)C 2266003147 NLCWGKHHXIJBAS-UHFFFAOYSA-N 444.949 5.242 30 10 IKEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)[C@H](C)C(C)(C)C 2267600089 AJFYIEYDZYCJSR-HXUWFJFHSA-N 435.417 5.371 30 10 IKEE CCN1C(=O)C(=Cc2ccc(OCc3ccccc3)cc2)SC1=Nc1ccc(C)c(C)c1 2293730019 LTLKXHYORSIHQV-UHFFFAOYSA-N 442.584 6.506 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H](NC(=O)OC(C)(C)C)c1cccs1 2296217435 UMMHYNJRIPYOOY-IEBWSBKVSA-N 449.414 5.106 30 10 IKEE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(=CC1=Cc3ccccc3O[C@H]1C)C2=O 2296844769 FCNXREDFYNNIRS-INIZCTEOSA-N 440.451 5.238 30 10 IKEE O=C1C(=CNc2cccc(Cl)c2)S(=O)(=O)N(Cc2cccc(F)c2)c2ccsc21 2297378398 KZJXBGNMLSBOMB-UHFFFAOYSA-N 448.928 5.027 30 10 IKEE CC1(C)C[C@](C)(c2ccccc2)c2cc(F)cc3c2N1C(=O)C3=CC(=O)c1ccccc1 2297731490 ANSUJZXBEGRLOW-MUUNZHRXSA-N 425.503 5.927 30 10 IKEE CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 2299173472 JFEGPBYDVCOZMN-ROUUACIJSA-N 449.979 5.619 30 10 IKEE O=C1CCCC2=C1[C@@H](C=Cc1ccccc1)N1NC(SCc3ccccc3Cl)=NC1=N2 2313680967 GBRGSDZGDPAQHL-HXUWFJFHSA-N 448.979 5.208 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2)Oc2cc(OCc3ccc(Cl)cc3Cl)ccc21 2314437913 AKQAZOXVPMQYHK-UHFFFAOYSA-N 431.702 6.842 30 10 IKEE C[C@H]1CC(C#N)(N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)C[C@H](C)S1 2317651198 DSHJEGSSWFEHRZ-KBPBESRZSA-N 425.392 5.757 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccccc1OCCC 2318571464 LFCNGLYQDIHDLV-UHFFFAOYSA-N 443.016 6.237 30 10 IKEE CCCOc1cc(C=Nn2c(CCC)nnc2SCc2ccc(C#N)cc2)ccc1OC 2318571619 OKYKGAXNNYNUBR-UHFFFAOYSA-N 449.580 5.074 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CC2)cc1 2320880675 OBQZDPMGGZQKNY-UHFFFAOYSA-N 441.000 6.162 30 10 IKEE C=CC[C@@H]1COC[C@H]1NCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2321085112 OUPOOPSFWVQRCT-CLJLJLNGSA-N 429.560 5.525 30 10 IKEE Cc1ccc(COc2cc(C)c3c(c2)OC(=Cc2ccc(-c4ccccc4)cc2)C3=O)cc1 2321745709 MXTAYALPMVSNIO-UHFFFAOYSA-N 432.519 7.166 30 10 IKEE CCOc1cc(C=Nn2c(S)nnc2C(C)(C)C)ccc1OCc1cccc(Cl)c1 2321908605 PZNPRXWRVJFBBZ-UHFFFAOYSA-N 444.988 5.378 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)c1OCc1cccc(C)c1 2322307612 SKXLMCOFGZKPKM-UHFFFAOYSA-N 434.535 7.146 30 10 IKEE O=C(C=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1)c1ccc2ccccc2c1 2322312482 GAGZAXIGQLBVFE-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE Cc1ccc(NC(=O)COc2ccccc2C=CC(=O)c2ccc(Cl)cc2Cl)cc1 2322379315 UAAQYKOLBRWMLK-UHFFFAOYSA-N 440.326 6.215 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3ccccc3c2C=CC(=O)c2ccc(F)cc2)c1 2322748027 CTJCEZXBKLPSHN-UHFFFAOYSA-N 439.486 6.201 30 10 IKEE Cc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)c1 2322884106 ABAKHVLZTXKBCT-UHFFFAOYSA-N 426.512 6.436 30 10 IKEE COc1c(Br)cc(Br)cc1C=CC(=O)c1c(C)cc(C)cc1C 2322948737 JBMQMHBNVKFCIN-UHFFFAOYSA-N 438.159 6.042 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)CCCOc4ccccc4C)cc(C)c3C2=O)o1 2323177183 FUYZTDASRXEACS-UHFFFAOYSA-N 432.472 5.586 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1cccc(OCC(=O)Nc2nccs2)c1 2323301582 NNZCHYUMTPOGBO-UHFFFAOYSA-N 442.924 5.027 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(=O)c4c(F)cccc4Cl)cc(C)c3C2=O)c1 2323353638 UVBLMXXPXIYPIT-UHFFFAOYSA-N 438.838 5.632 30 10 IKEE Cc1cc(OC(=O)C=Cc2ccccc2)cc2c1C(=O)C(=Cc1c(F)cccc1Cl)O2 2323749781 HBKNSWDEVNJNGT-UHFFFAOYSA-N 434.850 6.023 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(OC)c1OCC(=O)OCC(C)C 2323985460 CQJXZGQBYPIYTO-UHFFFAOYSA-N 440.511 5.345 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OCc1cccc(Cl)c1 2324151876 XGIDHVWRQMYGPB-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OCc1cccc(Cl)c1 2324356524 OLOIXZLBFVZDMV-UHFFFAOYSA-N 434.963 7.057 30 10 IKEE C[C@H](Oc1ccc2c(c1)OC(=Cc1ccco1)C2=O)C(=O)Nc1cc(Cl)ccc1Cl 2324358645 VQUQGQPTCBOVAK-LBPRGKRZSA-N 444.270 5.609 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2cccs2)C3=O)cc1 2324451634 ICSPBFRCVGDJSC-HNNXBMFYSA-N 435.501 5.087 30 10 IKEE N#C[C@@H](C(=O)C=Cc1ccc(Cl)c(Cl)c1)c1nc(-c2cccc(Cl)c2)cs1 2324475123 STTXYPOYVJIBRJ-HNNXBMFYSA-N 433.747 6.660 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OCC(=O)Nc2cccc(C)c2)cc1 2324506142 VXXPAVZHNQNONF-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCCOc4cccc(C)c4)cc(C)c3C2=O)cc1 2324537079 PBHUHMYBWXBGBM-UHFFFAOYSA-N 430.500 5.776 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OCCCCOc4ccccc4)c3C)C2=O)c1 2324583962 YFPOCYOALQKVEY-UHFFFAOYSA-N 430.500 5.858 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OCc2ccccc2C)c(Cl)c1 2324696857 DKAPRSIRHZXGCT-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE Cc1cc(OCC(=O)OCC(C)C)cc2c1C(=O)C(=Cc1ccc(-c3ccccc3)cc1)O2 2325068840 XDYQOYIESGEZRK-UHFFFAOYSA-N 442.511 5.856 30 10 IKEE Cc1ccccc1C=Nn1c(CCc2ccccc2)nnc1SCc1ccccc1Cl 2325448898 GTXIXULLYOYFRR-UHFFFAOYSA-N 447.007 6.200 30 10 IKEE CCCCCOc1ccc(C=Nn2c(C)nnc2SCc2c(F)cccc2Cl)cc1 2325645564 NHUPVPXNUFPWNQ-UHFFFAOYSA-N 446.979 6.123 30 10 IKEE CCOc1ccc(CC(=O)Oc2cc(C=CC(=O)c3ccc(OC)cc3)ccc2OC)cc1 2325718147 KSGPXAWNQBXKHH-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCc4cccc(C)c4)c3C)C2=O)c(OC)c1OC 2325721055 BRPKZKRDQICGCK-UHFFFAOYSA-N 446.499 5.524 30 10 IKEE CCc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1 2325722761 VXTMBCOEARDTRU-UHFFFAOYSA-N 431.463 5.330 30 10 IKEE CCCc1ccc(OCC(=O)Oc2cc(C=CC(=O)c3ccc(C)cc3)ccc2OC)cc1 2325737638 NKINDQLMSILOSS-UHFFFAOYSA-N 444.527 5.837 30 10 IKEE COc1ccc(C(=O)Oc2cccc(C=CC(=O)c3cc(C)ccc3OC)c2)cc1OC 2325743315 MYNKLIPTRSSWAD-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OC(=O)COCc1ccccc1 2325750443 GMBKFRYESGTCTA-UHFFFAOYSA-N 444.527 5.837 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)C34CC5CC(CC(C5)C3)C4)c2)c(C)c1 2325764847 PZORSENGVHRWNU-UHFFFAOYSA-N 428.572 6.630 30 10 IKEE COc1ccc(C=Nn2c(C)nnc2SCc2ccc(C(C)(C)C)cc2)c(Cl)c1O 2326322717 OZRVIWWEYZBYTM-UHFFFAOYSA-N 444.988 5.426 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(OC(C)C)cc1 2326552123 CKUJKFYGVIQBMH-UHFFFAOYSA-N 443.016 6.236 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(OCC(C)C)cc1 2326736197 ICSISHDARCQGAR-UHFFFAOYSA-N 440.588 5.969 30 10 IKEE CCCCC1CCC(c2nnc(SCC(=O)OCCC)n2N=Cc2ccco2)CC1 2328210688 XBYCSYMFQAGVOA-UHFFFAOYSA-N 432.590 5.263 30 10 IKEE Fc1cccc(CSc2nnc(CCOc3ccccc3)n2N=Cc2ccccc2)c1 2329174724 FEOSSSZJPZZQTL-UHFFFAOYSA-N 432.524 5.213 30 10 IKEE Oc1ccccc1C=Nn1c(Cc2ccccc2F)nnc1SCc1ccccc1F 2329743446 MASSGZFGROHIGS-UHFFFAOYSA-N 436.487 5.027 30 10 IKEE Cn1cccc1C=Nn1c(COc2ccccc2)nnc1SCc1ccc(Cl)cc1 2329921183 PUAGQXUETXFFQA-UHFFFAOYSA-N 437.956 5.024 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccc(F)cc2)n1N=Cc1cccc(O)c1 2330066044 FMNINXIALQUOOP-QGZVFWFLSA-N 432.524 5.449 30 10 IKEE Oc1ccccc1C=Nn1c(SCc2ccc(Cl)cc2)nnc1-c1cccs1 2330597228 IJVHKCGYYXJMDN-UHFFFAOYSA-N 426.954 5.540 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1OC 2330619505 FUVKOHVBWLGSFL-UHFFFAOYSA-N 445.899 6.029 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)ccc1OC(=O)c1ccc(F)c(F)c1 2330794994 KMKWXALZWJQVMQ-UHFFFAOYSA-N 438.426 5.487 30 10 IKEE O=C(Cc1ccccc1F)Oc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl 2331020421 GXKGCABCHYYUPM-UHFFFAOYSA-N 439.826 5.432 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)c1cccs1 2331138223 RCRRGGLLAUWUDV-UHFFFAOYSA-N 433.312 6.179 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)c1ccc(CC)cc1 2331231558 BVQZPDGNOFRVLP-UHFFFAOYSA-N 428.528 6.380 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)Cc3cc(Cl)ccc3Cl)cc2)ccc1F 2331332051 ZPOGXDDXCMMAIF-UHFFFAOYSA-N 443.301 6.485 30 10 IKEE CC(C)CC(=O)Oc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1Br 2331496441 XJBUVCRJTOBGCB-UHFFFAOYSA-N 429.354 6.420 30 10 IKEE CC(C)c1nnc(SCc2c(F)cccc2Cl)n1N=Cc1cc(Cl)ccc1O 2331716597 NZNYVXYANNZZDA-UHFFFAOYSA-N 439.343 5.728 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc(OC)c1OC(=O)c1ccco1 2331788257 IERCCNFDSSCKCS-UHFFFAOYSA-N 448.515 6.018 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1C(C)(C)C(=O)C#Cc1ccc(Br)cc1 2363491246 BUNZAOZJQASRAW-GOSISDBHSA-N 434.374 5.186 30 10 IKEE Cc1c(COc2cc(Br)cnc2C#N)ccc(NC(=O)OC(C)(C)C)c1C 2368860534 IXPRCIFKMKJHDN-UHFFFAOYSA-N 432.318 5.259 30 10 IKEE CO[C@@H](C#C[C@@H](N)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1)C1CCCC1 2369630270 AWIXOXQBGIRTOS-MOPGFXCFSA-N 437.378 5.005 30 10 IKEE CCCC[C@@H](CC)[C@H](ON=C(c1ccccc1)c1ccccc1)n1nnc2ccccc21 5309635 XZFQFZVQVQKTBX-ZBLYBZFDSA-N 426.564 6.616 30 10 IKEE O=C(/C=C/c1ccccc1)c1ccc(Oc2ccc(C(=O)/C=C/c3ccccc3)cc2)cc1 8398626 FCMDBCYIDNQJGM-XHQRYOPUSA-N 430.503 7.271 30 10 IKEE Cc1ccc(C(=O)N/C(=N/c2cccc(C)c2)N2CCN(c3cc(C)ccc3C)CC2)cc1 15729067 OUWGWIQLERTXCD-UHFFFAOYSA-N 440.591 5.160 30 10 IKEE Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@@H]3c2ccc(O)c(O)c2)cc1 17101410 VDEXBJLFOQKVLE-WXTAPIANSA-N 437.499 5.172 30 10 IKEE COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@H]3c2ccco2)cc1OC 19633733 OQKPJURGWLAHOG-LMKMVOKYSA-N 441.487 5.062 30 10 IKEE CC[C@H](C)Oc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1cccs1)C2 21240553 PJPXODVMDIJUEQ-SORZYCEUSA-N 444.600 6.905 30 10 IKEE CC(C)[C@@H](C(=O)O[C@H](C#N)c1cccc(Oc2ccc(O)cc2)c1)c1ccc(Cl)cc1 31516180 DHTRRTYYQFWHPE-DNQXCXABSA-N 435.907 6.386 30 10 IKEE C=CCOC(=O)c1sc(NC(=O)[C@@H](CC)Sc2cc(C)c3ccccc3n2)nc1C 32528613 WQVOZZLPZUEMJP-QGZVFWFLSA-N 441.578 5.160 30 10 IKEE O=C(Oc1ccccc1/C=C1/Sc2ccccc2C1=O)c1ccc(-c2ccccc2)cc1 33347374 XQKHDZPJIHPNDM-NLRVBDNBSA-N 434.516 6.902 30 10 IKEE C=CCC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C1CC1 36303868 DQAKUMVPNOACMG-QHCPKHFHSA-N 447.579 5.273 30 10 IKEE O=C(/C=C/c1ccc(-c2cccc(Cl)c2)o1)c1cccc(NC(=O)c2cccs2)c1 39850978 LPXNURYGKGHKIZ-PKNBQFBNSA-N 433.916 6.810 30 10 IKEE C=CCc1ccc(OCCn2c(COc3cccc(C)c3)nc3ccccc32)c(OC)c1 40234084 XJPDKTCKLVOAKC-UHFFFAOYSA-N 428.532 5.740 30 10 IKEE COc1ccc2c(c1)c(/C=C1\Oc3c(ccc(OCc4cccc(F)c4)c3C)C1=O)cn2C 41509625 YRDXZWLRVQBTLN-ROTLSHHCSA-N 443.474 5.830 30 10 IKEE N#Cc1cccc(NC(=O)Cc2csc(SCc3ccc(Br)cc3)n2)c1 44441759 RUSOAFSGNWBNQC-UHFFFAOYSA-N 444.379 5.251 30 10 IKEE Cc1ccc(/N=C/c2ccc(Sc3nnc(-c4ccccc4)n3-c3ccccc3)o2)cc1 59462459 OGVJHVJETOMJNS-OVVQPSECSA-N 436.540 6.738 30 10 IKEE CCCCCCCCCCCCCCCCOC(=S)N[C@@]1(C)CCS(=O)(=O)C1 59568431 IGFCXIXVGSCOQM-QFIPXVFZSA-N 433.724 5.936 30 10 IKEE C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3ccc(OC)c(OC(F)F)c3)c12 98001124 DMEYBTALIQWGEF-LUAWRHEFSA-N 437.446 5.290 30 10 IKEE N#Cc1sc(-c2cc(Br)c(Br)s2)c(-c2ccccc2)c1N 128581556 SKLZVMHUFISZFP-UHFFFAOYSA-N 440.185 6.122 30 10 IKEE Cc1ccc(/C(=C\C=C2/C=C(Cl)C=CC2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1 136502205 FNYFXNLSIOHXBA-NEGHVCEZSA-N 428.919 5.402 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccc(O)cc2)c(C)c1 169961208 MYLRPOXGRLPZJL-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccc(N(C)C)cc2)c1 169966880 FJNKOZJFPAAJRW-XMMPIXPASA-N 444.506 5.291 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccn1 169994033 OOZCRFUBWZLUCA-HXUWFJFHSA-N 439.298 5.480 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccc(F)cc2)cc1 170061290 QNIMWFHXCJLETH-DEOSSOPVSA-N 429.491 5.788 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccc2F)c(C)c1 170072302 VSGWCZBFPJQIBN-QHCPKHFHSA-N 449.453 5.060 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1cccc(O)c1)c1cc2ccccc2o1 170079839 RZWBUGRKUIUOSL-JOCHJYFZSA-N 447.393 5.200 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccc(O)cc2)c1 170131979 AZOBPKQUXGVIIE-VWLOTQADSA-N 439.511 5.362 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2Cc2cccs2)c1 170139245 PYXJNWONYLNZTM-HSZRJFAPSA-N 445.540 5.160 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2cccs2)c1 170158698 CWJKKMCPTWNPQB-JOCHJYFZSA-N 433.529 5.547 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2cccnc2)c1 170182801 PMIZMSFAXXMPEE-XMMPIXPASA-N 436.467 5.026 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@H]1c1cccnc1 170187261 PWWNSRRMRLDPPN-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccncc2)cc1C 170202783 VSAPWZFMNSNMIC-DEOSSOPVSA-N 442.515 5.188 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)(C)C)c2)[C@H]1c1ccncc1 170210334 QFGAZDHGTVXIGW-JOCHJYFZSA-N 436.552 5.156 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccc(OCC)cc1 170214024 FVUZTQUTJKMIFI-HSZRJFAPSA-N 437.536 5.108 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2)ccc1OC(C)C 170223542 JIKSMKIMWSNHIS-DEOSSOPVSA-N 445.490 5.704 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccccc2F)cc1 170249433 FXHJIOCJDKUUQN-XMMPIXPASA-N 445.490 5.704 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccc(O)c2)c1 170258399 OYPLFFKCVATLGP-DEOSSOPVSA-N 443.499 5.272 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccco2)cc1C 170281099 MCJHMRWYODIDBC-QHCPKHFHSA-N 431.488 5.503 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccco2)cc1 170286668 NLCNNTVLRJJHPB-NRFANRHFSA-N 437.879 5.503 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2Cc2cccs2)o1 170298062 IBCLRJPPWPDBSS-JOCHJYFZSA-N 429.497 5.581 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(C)o2)c1 170298904 HYDQSXFBRXEBDT-QFIPXVFZSA-N 435.451 5.299 30 10 IKEE CCCOC(=O)c1ccc(Nc2nc(SC)nc(-c3cccc(Cl)c3)c2C#N)cc1 243032400 IAVGMDAWDSLHJL-UHFFFAOYSA-N 438.940 5.701 30 10 IKEE Clc1ccc(C=NNc2nc(-c3ccc(Br)cc3)cs2)c(Cl)c1 254398978 BLTRMNJIPYPTKN-UHFFFAOYSA-N 427.154 6.325 30 10 IKEE O=C1Nc2ccccc2/C1=C1\SC(=Nc2ccc(F)cc2)N(c2ccc(F)cc2)C1=O 254527437 XXXZJQNYFCICPR-VRXFANOASA-N 433.439 5.096 30 10 IKEE O=C(Oc1ccc2ccccc2c1C=NNC(=S)NC1CCCCC1)c1ccccc1 254740942 OHGMWFVOXWMEBJ-UHFFFAOYSA-N 431.561 5.190 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1/N=C\c1ccc(N(CC)CC)cc1 526803209 RWJPKFHVQOUUIO-ONUIUJJFSA-N 439.604 5.781 30 10 IKEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1ccc(OC(C)C)cc1 526814783 RNGYZPZPCHLGAJ-KSEXSDGBSA-N 435.380 5.855 30 10 IKEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1cccc(OCc2ccccc2)c1 698395823 BUJYHBHKQVYGOH-DEOSSOPVSA-N 437.584 5.409 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@H](C#N)c1ccc(F)cc1Br 698866845 NUHOZHYNZOPTAR-INIZCTEOSA-N 425.323 5.652 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@H](C#N)c1cc(Br)ccc1Cl 698964525 JLRYNQMIDQTBQC-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE CCCCCCC[C@@H](NCCC)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 702510700 OGLCUOIRCIVCMM-DNQXCXABSA-N 433.681 5.740 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 724068024 CDFUZXBXEWBFGY-MZNJEOGPSA-N 445.560 5.024 30 10 IKEE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNc3nc(-c4ccccc4)cs3)cc2)cc1 1081093851 VNXMVKTYCHYYOF-UHFFFAOYSA-N 449.557 5.332 30 10 IKEE COc1ccc(C(=O)/C=C\c2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2)cc1 1084136571 KMYDVOOPVXJAHJ-TVPGTPATSA-N 437.948 5.976 30 10 IKEE CC(=O)c1cccc(N/C(=N/C[C@@H]2CCC[C@@H](CN)C2)NCc2cccc3ccccc23)c1 1088665017 OWGAVBFZXGCTCW-FGZHOGPDSA-N 442.607 5.365 30 10 IKEE O=C1/C(=C/c2cccc(Cl)c2)SC(=Nc2cccnc2Cl)N1C1CCCCC1 1772734685 QMXHCVAWFCUREF-LCQIMXFNSA-N 432.376 6.325 30 10 IKEE Cc1cccc(N=C2S/C(=C\c3c(Cl)cccc3Cl)C(=O)N2c2ccccc2)n1 1772739847 ZNHWMAKQWLKQLF-VZKFJVGXSA-N 440.355 6.505 30 10 IKEE CCN1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=Nc1ccc(O)cc1C(=O)O 1772762464 KWERLCNBZABFJP-KCBCAQTCSA-N 437.304 5.021 30 10 IKEE Nc1ccc(-c2c(F)c(F)c(F)c(F)c2F)c(-c2c(F)c(F)c(F)c(F)c2F)n1 1848358318 OHRRHQQARORTHF-UHFFFAOYSA-N 426.213 5.389 30 10 IKEE Cc1cccc(NC(=S)N/N=C\c2cn(-c3ccc(F)cc3)nc2-c2ccc(F)cc2)c1 1857808930 MOQNOKOEEAANBO-VYYCAZPPSA-N 447.514 5.446 30 10 IKEE C=CCN(CC=C)C(=O)CCc1c(C)c2cc3c(cc2oc1=O)OC1(CCCCC1)CC3 1860284938 BZOWWNNMHQUZTE-UHFFFAOYSA-N 435.564 5.263 30 10 IKEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 1861219353 LCFKNQAFKCCJLM-DEOSSOPVSA-N 443.676 5.050 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2cccc(OCC)c2)cc1 1862393349 UBJJUPBBTQBTJQ-VWLOTQADSA-N 449.591 6.052 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(C(C)C)cc1 1862415483 YCTJUKAPYFXKRV-QHCPKHFHSA-N 441.518 6.247 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862442855 VEYGIZQSDKHFFL-SBUREZEXSA-N 431.919 5.988 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 1862482971 XKOXRMZZHNRCHY-OAQYLSRUSA-N 443.465 5.925 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCCc3ccccc3)[C@H]2c2ccc(F)cc2)c1 1862556408 VZHBYFLUQHTSAN-DEOSSOPVSA-N 444.506 5.009 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(Cl)cc1Cl)c1cccc(O)c1 1862597424 KIRQYFYQHKASBD-FQEVSTJZSA-N 446.330 5.610 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1cccc(O)c1 1862613377 HGKHKFOLSBUXKX-BSDZUQITSA-N 447.575 5.847 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2F)cc1 1862617103 UUUFFLUTCNDWIE-JOCHJYFZSA-N 433.479 5.495 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCCCN(C)C)cc1 1862648638 GZQICIHIEAEYLD-RUZDIDTESA-N 442.559 5.068 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc(C)c1 1862649056 PNOYIXMUALDTQI-RUZDIDTESA-N 427.544 6.307 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1ccc(C(F)(F)F)cc1)c1cccc2ccccc12 1862655460 IZUHVELEMZACGY-NRFANRHFSA-N 437.417 5.599 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccc(Cl)c1 1862661767 RYCIWRNMWKSVNF-QFIPXVFZSA-N 441.955 5.468 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccccc1[N+](=O)[O-] 1862666208 YLJSADMPUBYQAG-JOCHJYFZSA-N 436.508 5.343 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1c(Cl)cccc1Cl 1862667674 IBKDSINDFUPPPY-NRFANRHFSA-N 446.374 6.495 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@@H]1c1cccc(Cl)c1)c1ccc(F)cc1 1862675603 PHNSHCNCHGDQSD-OAQYLSRUSA-N 439.845 5.397 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc2ccccc12 1862678645 STCSCORPMWVWEU-LAMXGVLKSA-N 443.518 6.136 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(OCc2ccc(C)cc2)cc1 1862684786 FTMUKXLURRJTJX-DEOSSOPVSA-N 445.490 5.311 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(Cl)c(Cl)c1 1862716611 JXDXLMSGISAOIZ-OAQYLSRUSA-N 438.310 5.911 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1 1862752629 ZVGOEWPBHQJYAT-HXUWFJFHSA-N 442.899 5.407 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccc(C#N)cc3)C(=O)N(CCCCc3ccccc3)C2=O)c1 1863402509 ZUYHWKSYIXBWIZ-UHFFFAOYSA-N 449.554 5.390 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(F)cc2)=C(c2cccs2)C1=O 1863469977 DAKUDOMXVJTZMO-UHFFFAOYSA-N 428.573 6.220 30 10 IKEE Cc1ccccc1-c1nc(Nc2ccc(C#N)cc2)cc(N2CCO[C@@H](c3ccccc3)C2)n1 1868311529 SRCMVSJODPKSDD-RUZDIDTESA-N 447.542 5.645 30 10 IKEE CC(C)c1ccccc1-n1nnc(C#N)c1NC(=O)CCCOc1ccc2ccccc2c1 1870144688 HIBSBHXCVMQYCN-UHFFFAOYSA-N 439.519 5.213 30 10 IKEE CCCOc1cn(Cc2ccccc2C)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870180200 VENOACYIIKOTJU-UHFFFAOYSA-N 447.604 5.478 30 10 IKEE CCCCCCCCCCn1cc(OCC)c(=O)cc1CSc1ccc(Cl)cc1 1870237907 KKUFAIZPQCBWCC-UHFFFAOYSA-N 436.061 7.333 30 10 IKEE CCCCCCCCCCn1cc(OCC(C)C)c(=O)cc1CN1C[C@@H](C)C[C@@H](C)C1 1870436630 CKCUUIXVTFHJQT-PSWAGMNNSA-N 432.693 6.502 30 10 IKEE C=CCOc1cn(CCCCCCCC)c(CNc2cccc(NC(C)=O)c2)cc1=O 1870811830 IYRWLFHJAFIPLL-UHFFFAOYSA-N 425.573 5.344 30 10 IKEE CCCCCCCCn1cc(OCCCO)c(=O)cc1CNc1ccc(Cl)c(C)c1 1871266789 PJSSVXSMWMTCRG-UHFFFAOYSA-N 435.008 5.544 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccccc1)C3=O)CN(CCc1c[nH]c3ccccc13)CO2 1871349961 DHYWRDAQCRWSJH-MXAYSNPKSA-N 436.511 5.487 30 10 IKEE CCCCCCCCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(C)cc1)C3=O 1871350375 CPPVPIDKXZCTFY-ITYLOYPMSA-N 447.619 7.212 30 10 IKEE CCc1ccc([C@@H](C)N2COc3cc(C)c4c(c3C2)O/C(=C\c2ccc(C)cc2)C4=O)cc1 1871353911 BBZKHBLVDWTEGY-RWTUPJDWSA-N 439.555 6.395 30 10 IKEE Cc1cc(OC(=O)c2cccc([N+](=O)[O-])c2C)cc2c1C(=O)/C(=C/c1cccc(Cl)c1)O2 1871372330 KUSALFAIPXZYBE-NHDPSOOVSA-N 449.846 5.700 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OC(=O)c4cccc(OC(C)C)c4)cc(C)c3C2=O)c1 1871387830 CBZIVXRTRFZTLN-CFRMEGHHSA-N 444.483 5.626 30 10 IKEE COc1ccccc1/C=C1\Oc2c(ccc(O[C@H](C)C(=O)Nc3ccccc3)c2C)C1=O 1871404055 HUMLELNNQJOOAV-XMSCMFJESA-N 429.472 5.026 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871409177 ZBFMDIGYABVLPS-ICODJCHTSA-N 431.463 5.465 30 10 IKEE COC(=O)c1cccc(COc2ccc3c(c2)O/C(=C\c2cn(C)c4ccccc24)C3=O)c1 1871415918 AWGKAMABLPEUPT-MXAYSNPKSA-N 439.467 5.160 30 10 IKEE COc1ccc(C)cc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1sccc1C)C2=O 1871428685 OLRAVDYLLVIPLS-MTJSOVHGSA-N 449.528 5.316 30 10 IKEE C=CCN(CC=C)c1nc(=NCc2ccccc2C)nc(Nc2ccc(CCCC)cc2)[nH]1 1871503034 ZVVGCJLKXBWSCU-UHFFFAOYSA-N 442.611 5.479 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(C)c(C)c2)[nH]c(N(CCC)CCCC)n1 1871526522 XQPSLNIGLWGUHN-UHFFFAOYSA-N 440.680 6.443 30 10 IKEE C=CCN([C@@H](CC(C)C)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1cc(C)ccc1C 1872225380 LIKYUPBXOQHCQH-NRFANRHFSA-N 449.016 5.187 30 10 IKEE CCOc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872760874 ZSQKKIUYRTUTIT-HXUWFJFHSA-N 432.545 5.343 30 10 IKEE N#C[C@@H](C(=O)CCCOc1ccccc1)c1nc(-c2ccc(Br)cc2)cs1 1872765382 NRJOKCUWJMGQKE-SFHVURJKSA-N 441.350 5.608 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)[C@H](C#N)c1nc(-c2cc(C)ccc2C)cs1 1872771821 CTNNUMFPROQCKA-AWEZNQCLSA-N 431.344 6.232 30 10 IKEE CC(C)c1ccc(O[C@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 1872772822 IAZZGENWLOHHJY-JPYJTQIMSA-N 446.616 6.875 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@H](C#N)C(=O)/C=C/c2ccc(C(C)C)cc2)n1 1872780750 LZOIWNNDASVHHL-YVWYTEFXSA-N 430.573 6.449 30 10 IKEE CCOc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc1 1872788438 IFCVOYMLBSIAMC-GOSISDBHSA-N 426.925 5.290 30 10 IKEE CCCCCCCCCCNC(=O)c1cccc(CSCc2nc3ccccc3[nH]2)c1 1872888195 JDXUZIJPRGZAMB-UHFFFAOYSA-N 437.653 6.867 30 10 IKEE CCCCCCCCCCNC1=C(c2cccc(OC)c2)C(=O)N(CCCCC)C1=O 1873043634 FDJRMDLYEHTNCJ-UHFFFAOYSA-N 428.617 5.696 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2C)C(=O)N([C@H](C)c2ccccc2)C1=O 1873102110 DJQXPKRWCHVQME-HSZRJFAPSA-N 446.635 6.566 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(C)c(Cl)c1)n2CC(C)C 1873657083 WYASZYUBQLAQFR-UHFFFAOYSA-N 437.975 5.480 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccc(CC)cc1 1874265418 WOMVXGOUKPDKKJ-ZMOGYAJESA-N 426.973 5.623 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccccc3Cl)n2/N=C/c2ccco2)c1 1874266055 CTKWSKYWWDNQIJ-ZMOGYAJESA-N 438.940 5.586 30 10 IKEE CCSc1nnc(CCc2ccccc2C)n1/N=C/c1ccc(Br)cc1 1874362962 HBDYOWJSMQZFIY-HYARGMPZSA-N 429.387 5.128 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccccc2Cl)n1/N=C/c1sccc1C 1874364622 MPMLDTLYCXJDTL-ZMOGYAJESA-N 439.009 6.451 30 10 IKEE Fc1ccc(Cc2nnc(SCc3ccccc3Cl)n2/N=C/c2cccnc2)cc1 1874379605 BOJXECLCMDUILY-VULFUBBASA-N 437.931 5.231 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2/N=C/c2cccnc2)cc1 1874390586 URLWKQCTAJZLPU-CVKSISIWSA-N 433.968 5.400 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2cccc(Cl)c2)n1/N=C/c1cccnc1 1874400869 BCPTZGMPBXBJJC-CIRUFVMISA-N 433.968 5.653 30 10 IKEE Fc1ccccc1CSc1nnc(-c2ccccc2)n1/N=C/c1cccc2ccccc12 1874428531 NNUVTSOCJTVBEV-OGLMXYFKSA-N 438.531 6.412 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CC(C)(C)C)nnc1SCCc1ccccc1 1874439819 UVVGKYIOLVHCRX-LGUFXXKBSA-N 434.609 5.649 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2Cl)nnc1C1CCCC1 1874457262 ITNIJJJDRLOQIL-DHRITJCHSA-N 445.419 6.725 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1/N=C/c1cccc(C)c1 1874464453 KLXFQNWJJXIVNX-MFKUBSTISA-N 445.548 5.022 30 10 IKEE COCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1sccc1C 1874473017 IVVJMXPPGHNYMN-UFFVCSGVSA-N 441.409 5.318 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CCC2)cc1 1874497142 XABRSDYQWFTLOL-WPWMEQJKSA-N 426.589 6.436 30 10 IKEE C=C(C)CSc1nnc(CC)n1/N=C/c1cccc(OC)c1OCc1cccc(C)c1 1874525363 JOSDHZGRERRLEX-AFUMVMLFSA-N 436.581 5.287 30 10 IKEE CCCOC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(Cl)cc1Cl 1874573351 JEZYHPQSWPCTRA-ZHACJKMWSA-N 443.326 6.375 30 10 IKEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(F)cc1F)Nc1ccccc1F 1874576199 BPHKGBJFDSPOAV-WEVVVXLNSA-N 445.824 5.671 30 10 IKEE O=C(/C=C/c1cc(Br)ccc1OCc1cccc(F)c1)c1ccc(F)cc1F 1874576699 BGAUPRQQCZAZHT-XBXARRHUSA-N 447.250 6.342 30 10 IKEE O=C(/C=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccc(Cl)cc1 1874577463 ONUMDPHYNBPOOE-CCEZHUSRSA-N 433.334 7.622 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2ccccc2F)cc1 1874578063 TXNQKARGFVJNJX-DTQAZKPQSA-N 449.478 5.147 30 10 IKEE Cc1cc(C(=O)/C=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)ccc1F 1874580238 DROWMQWGZKDLEF-WYMLVPIESA-N 430.906 7.416 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C/C(=O)c2cc(C)ccc2C)c1 1874580655 ZKEKRAWYBXGXCY-PKNBQFBNSA-N 433.935 6.179 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2cc(Br)ccc2OCc2ccccc2)cc1 1874582064 UJPQLYJIFBUIFN-RVDMUPIBSA-N 449.388 7.222 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC)c2OCc2ccc(F)cc2)cc1C(C)C 1874585006 HYNUIYCBHMYYBM-SDNWHVSQSA-N 448.534 6.750 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCc1nc(O)c2ccccc2n1 1874616763 RBBOLRCASRUIIF-UKTHLTGXSA-N 426.472 5.128 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OCc1ccc([N+](=O)[O-])cc1 1874619778 RSVPSQQNUATKRW-XYOKQWHBSA-N 447.487 5.786 30 10 IKEE C=CCOc1c(Br)cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1OCC 1874622100 MBNXYKXJYPAOGB-FNORWQNLSA-N 445.309 5.080 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)c(C)c1C 1874626583 LZEQQCXZIKMKQR-FMIVXFBMSA-N 449.934 5.879 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1cccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)c1 1874710420 BGEYDNVEYKULJL-BUHFOSPRSA-N 444.527 6.053 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)cc3)c(OC)c2)cc1OC 1875103508 CEWJQNGOZXDOQR-FMIVXFBMSA-N 446.499 5.065 30 10 IKEE COCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1OC 1875104240 NBFXEGDOKRHIRM-ZZXKWVIFSA-N 443.710 5.493 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3Cl)cc2OC)c1 1875110260 CFUOMKLWTTXDEM-ACCUITESSA-N 436.891 5.863 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Br)cc2)cc(Cl)c1OC(=O)CC 1875111066 RMEZABXFAUCFLS-BJMVGYQFSA-N 437.717 5.713 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C(F)(F)F)c(Cl)c1)c1cccc(Br)c1 1875114028 AEOQUSYDUKHMHT-GQCTYLIASA-N 433.607 5.466 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cc(C)ccc3C)c([N+](=O)[O-])c2)cc1 1875114402 SCFYRXRGIAZMBW-WUXMJOGZSA-N 445.471 5.264 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c(OC)c2)cc1 1875115054 KGYVLVNFJKLDPT-UUILKARUSA-N 447.443 5.036 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3ccccc3Cl)cc2)cc1 1875132222 LHPDPRWHCPQISP-SFQUDFHCSA-N 434.919 6.309 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cccc4ccccc34)c(Cl)c2)cc1 1875133179 IMPVUJMDZRALNY-RVDMUPIBSA-N 440.926 6.846 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2Br)cc1 1875136002 SBNYTXUGIUKMHH-RIYZIHGNSA-N 449.344 6.435 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3F)c(OCC)c2)cc1 1875138837 GRNVJVYYVKUFPY-OQLLNIDSSA-N 448.490 6.129 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1 1875148296 AKQSZGWKAKGKEM-LICLKQGHSA-N 429.472 6.008 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC3CCCCC3)c(OC)c2)cc1F 1875153763 WVZIRWOYPJTZRW-DHZHZOJOSA-N 426.484 5.615 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2Cl)c1 1875155353 DSAJJFJQOHWMIM-NTUHNPAUSA-N 446.974 7.124 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)CC1CCCCC1 1875158810 OEKCRZFCAZGCRU-XNTDXEJSSA-N 436.523 6.335 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)ccc1OC(=O)C1CCC1 1875164446 KIGYSYLEOIRTGQ-MHWRWJLKSA-N 428.484 6.089 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)cc(OC)c1OC(=O)C(C)C 1875186421 VHKVJPYWZKMJRS-CSKARUKUSA-N 428.912 5.543 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cc(-c4ccc(F)cc4)c[nH]3)cc21 1890665414 ILCOOASYZXYQMW-UHFFFAOYSA-N 433.483 5.011 30 10 IKEE CC1(C)CC[C@@H](Nc2cc(Br)ccc2C#N)[C@@H](CNC(=O)OC(C)(C)C)C1 1927070234 NTMSFFWYKURPEV-NVXWUHKLSA-N 436.394 5.452 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 1944587886 GMWPWGPGOCIRES-MWTRTKDXSA-N 433.524 5.154 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1(C)C 1947966564 AHLDHUKSTADMRU-DEOSSOPVSA-N 435.609 5.628 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)c1 1949118833 RQFXOYNRSKFVQO-IECBHUPTSA-N 427.545 5.028 30 10 IKEE CCCCCCCCCCCC[C@@H](O)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2034423934 AOKNJSBPPQFWGL-JWQCQUIFSA-N 449.676 6.768 30 10 IKEE C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2076318622 PVGRDUIBJOFYIG-BXKMTCNYSA-N 447.551 5.497 30 10 IKEE C[C@H](c1ccc(C2CC2)cc1)n1nc(C(C)(C)C)c(/C=N/O)c1I 2079069297 MUHWEDILWJQLKA-KIHMUJGBSA-N 437.325 5.080 30 10 IKEE CCCc1ccc([C@@H](n2nc(C3CCC3)c(C=NO)c2Br)C(C)(C)C)cc1 2079857160 YPMYHLWTWCIORQ-HXUWFJFHSA-N 432.406 6.309 30 10 IKEE Fc1ccc(-c2c(C(F)(F)F)nn([C@@H]3CCOC3)c2Br)c(C(F)(F)F)c1 2080796795 ANIKMWYTZMHKKG-MRVPVSSYSA-N 447.148 5.451 30 10 IKEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(Cl)ccc(Br)c1F 2122144254 ZNYJMQNKGMCKOB-PBHICJAKSA-N 447.776 5.199 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Br)c1C)NCCC 2143734852 YZVKQGTWVOXHNU-PMACEKPBSA-N 439.438 5.528 30 10 IKEE C=CCN(CC[C@H](Cc1ccc(F)cc1Br)NCCC)C(=O)OC(C)(C)C 2155516966 PFZFYVGJGITSTR-GOSISDBHSA-N 443.401 5.312 30 10 IKEE CC(C)(C)OC(=O)N1Cc2ccc(Nc3ccc(C#N)c(Br)c3F)cc2C1 2162385902 VEQJNRLOCNGOQO-UHFFFAOYSA-N 432.293 5.454 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@]2(CNc3cc(Br)cc(C#N)c3)CCC[C@@H]12 2165303344 MCJXGJIEWZEOFH-NQIIRXRSSA-N 434.378 5.302 30 10 IKEE CCCN(c1ccc(Br)cc1C#N)C1CCC(NC(=O)OC(C)(C)C)CC1 2174808188 LCXKKBLYPAWMAV-UHFFFAOYSA-N 436.394 5.373 30 10 IKEE Cc1cc(C#N)cc(NC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2Br)c1 2181048245 XSUBITFQBFOADT-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE C=C(Cl)C[C@H](NCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2221684503 KWNVWJDTJKFNQG-IRXDYDNUSA-N 431.802 5.006 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2sc(C)c(Br)c2C)c1 2226504673 YSUQUUBNHLDXDO-INIZCTEOSA-N 435.387 6.442 30 10 IKEE C=CCCCCC[C@H](O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229109500 KGBMDBNFJSGZJQ-OALUTQOASA-N 426.395 5.382 30 10 IKEE C=C1CCC(C[C@H](O)[C@H](Cc2ccccc2Br)NC(=O)OC(C)(C)C)CC1 2237396912 SIZWAFWEYKGKFU-PMACEKPBSA-N 438.406 5.382 30 10 IKEE CCN[C@H](CC#CC1CCCC1)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2251481771 WKOOWROGVSYEQP-DNQXCXABSA-N 428.617 5.048 30 10 IKEE C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2255542784 XNOPYFUCPIRDGL-QGZVFWFLSA-N 439.792 5.080 30 10 IKEE CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2255922144 NTVUBPQSRSRCDB-NLFFAJNJSA-N 449.636 5.732 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CCC[C@H](C1)[C@@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 2258090856 LBCSPFDLQOHWEW-PGCJZILSSA-N 447.620 5.532 30 10 IKEE CC#CCC[C@H](OCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2274741838 OMTXWBMCUBQAIL-VWLOTQADSA-N 444.527 5.790 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CN[C@@H]2CCCC[C@@H]2C1 2279694213 KLILHZFZFJVGNF-FQELHTAISA-N 434.378 5.005 30 10 IKEE C=C(COCc1ccccc1)[C@](CC)(OCCC(=O)O)c1ccc(Br)cc1 2291118643 DVAYPFGGCZECHW-QFIPXVFZSA-N 433.342 5.319 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1cc4ccccc4o1)O3)CN(Cc1cccs1)CO2 2293370137 DEIGRDGTHRCEEB-UHFFFAOYSA-N 429.497 5.771 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)CCN(C(=O)OC(C)(C)C)C(C)(C)C 2296215575 BLELTZQVQZSPQN-LJQANCHMSA-N 437.422 5.204 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)CC 2296219673 QQEGIMCYZMXPJE-AHRSYUTCSA-N 437.422 5.108 30 10 IKEE CCC[C@H](CCNC(=O)OC(C)(C)C)CCC(=O)C#Cc1cccc(Br)c1 2296231305 CCUPKMFMJXKLGL-KRWDZBQOSA-N 436.390 5.481 30 10 IKEE CCOc1ccc(-n2cc(C=NNC(=S)Nc3ccccc3)c(-c3cccs3)n2)cc1 2296403329 ITTINPSLUSGTEU-UHFFFAOYSA-N 447.589 5.320 30 10 IKEE COc1ccc2c(c1)C1=NN(C(C)=CC(C)=O)[C@H](c3ccc(Br)cc3)[C@H]1CC2 2297320964 WORYLAZEPKLIAL-NZQKXSOJSA-N 439.353 5.274 30 10 IKEE COc1c2c(cc3c1[C@H](CC(C=C[C@H]1C(C)=CCCC1(C)C)=NO)N(C)CC3)OCO2 2297731145 SVSPODGIYWQUSW-PMACEKPBSA-N 426.557 5.112 30 10 IKEE COc1ccc(OC)c(C=C2Oc3cc(OCC=Cc4ccccc4)cc(C)c3C2=O)c1 2321813883 XIVMGWRKMQVIDI-UHFFFAOYSA-N 428.484 5.721 30 10 IKEE COC(=O)c1ccc(COc2cc(C)c3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2321856495 LYIXXRMAOZOQHN-UHFFFAOYSA-N 434.875 5.630 30 10 IKEE CC(C)(C)Oc1ccccc1CN1COc2ccc3c(c2C1)OC(=Cc1ccccc1)C3=O 2321906820 KWYOBTAQPPFZES-UHFFFAOYSA-N 441.527 5.832 30 10 IKEE Cc1ccc(CN2COc3ccc4c(c3C2)OC(=Cc2c(F)cccc2Cl)C4=O)cc1 2321958566 ULJXZWKEHBAQQT-UHFFFAOYSA-N 435.882 5.756 30 10 IKEE O=C1C(=Cc2cccc(Cl)c2)Oc2c1ccc1c2CN(Cc2ccc3c(c2)OCO3)CO1 2322099152 QEDYZISXSPGNPI-UHFFFAOYSA-N 447.874 5.037 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1cccc(Cl)c1)O3)CN(CCCc1ccccc1)CO2 2322214544 YZXXDHKJQBHROH-UHFFFAOYSA-N 445.946 6.049 30 10 IKEE Cc1cccc(CN2COc3cc(C)c4c(c3C2)OC(=Cc2c(F)cccc2Cl)C4=O)c1 2322218129 VFAYXMHNBMQCQJ-UHFFFAOYSA-N 449.909 6.064 30 10 IKEE CCc1ccc(NC(=O)COc2ccccc2C=CC(=O)c2ccc(OC)c(C)c2)cc1 2322408293 JKIHFTTVVQNLFI-UHFFFAOYSA-N 429.516 5.480 30 10 IKEE Cc1c(OC(=O)c2cccs2)ccc2c1OC(=Cc1c(Cl)cccc1Cl)C2=O 2322667671 WZQLEHJEVWIPEF-UHFFFAOYSA-N 431.296 6.199 30 10 IKEE Cc1cc(OC(=O)c2ccc(F)cc2)cc2c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O2 2322781910 YIYZCONIIXHNRN-UHFFFAOYSA-N 443.257 6.276 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccccc2OCc2cc(C)ccc2C)c(OCC)c1 2322907757 UMRTYWPKICKSJB-UHFFFAOYSA-N 430.544 6.576 30 10 IKEE CCCNC(=O)COc1ccc(Cl)cc1C=CC(=O)c1cc(C(C)(C)C)ccc1C 2322959265 YMBPUMHLZCEBPY-UHFFFAOYSA-N 427.972 5.747 30 10 IKEE Cc1ccc(CCC(=O)Oc2ccc3c(c2C)OC(=Cc2ccc4c(c2)OCO4)C3=O)cc1 2323081364 YIOMIAYKUPSHKW-UHFFFAOYSA-N 442.467 5.187 30 10 IKEE COC(=O)c1ccc(COc2cccc(C=CC(=O)c3cc(C(C)C)c(OC)cc3C)c2)o1 2323232304 ZWTBHDKNCAVBGX-UHFFFAOYSA-N 448.515 5.982 30 10 IKEE CC(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1 2323502176 QUTRVPKOZLYUMD-UHFFFAOYSA-N 444.914 6.698 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)C=Cc1ccc(OC)cc1OC 2323512144 GHHBSFJZHGHMQM-SANMLTNESA-N 446.632 5.259 30 10 IKEE Cc1cc(OC(=O)C=Cc2ccccc2)cc2c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O2 2323750162 SUAPCXPKNCQMER-UHFFFAOYSA-N 438.523 6.528 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)c1 2323805482 KNQUPQGJPBOVOT-UHFFFAOYSA-N 443.499 5.295 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OCC(=O)Nc2nccs2)c(Cl)c1 2323992402 FXJKLMYECIAYLM-UHFFFAOYSA-N 442.924 5.027 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(O)c3CN(C3CCCCC3)C3CCCCC3)C2=O)cc1 2324044822 YXNMYLKWYMKWCT-UHFFFAOYSA-N 445.603 6.784 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OCCCO)c([N+](=O)[O-])c2)cc1 2324209921 MTSUMPODCHDGJH-UHFFFAOYSA-N 441.524 5.601 30 10 IKEE COc1ccc(OC)c(C=C2Oc3c(ccc(OCCOc4ccccc4)c3C)C2=O)c1 2324220697 XLJPGJXVHBXLMJ-UHFFFAOYSA-N 432.472 5.086 30 10 IKEE COc1cc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc(OC)c1OC 2324538520 CCYBIFMXSDEMAK-SFHVURJKSA-N 434.517 5.034 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OCc1ccc(C(=O)OC)o1 2324561570 QATKVAHPWAWPFX-UHFFFAOYSA-N 448.515 5.865 30 10 IKEE C=CCc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OCC(=O)N(CC)CC 2324567729 ROIDBJLVAACAOQ-UHFFFAOYSA-N 449.591 5.492 30 10 IKEE Cc1cccc(OCCCCOc2cc(C)c3c(c2)OC(=Cc2cccc(F)c2)C3=O)c1 2324571148 NOFGRCNSOXYPBO-UHFFFAOYSA-N 432.491 6.297 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCCCCOc4ccc(C)cc4)c3C)C2=O)cc1 2324586181 IGDPKRSWXSCKJD-UHFFFAOYSA-N 444.527 6.166 30 10 IKEE CCCOC(=O)COc1c(Cl)cc(C=CC(=O)c2cc(C)c(OC)cc2C)cc1OC 2324625790 SJEUXEQKLRTTKD-UHFFFAOYSA-N 446.927 5.202 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OCc3ccc(C)cc3)c([N+](=O)[O-])c2)cc1C 2324637735 PGZHFKIYAQAFGS-UHFFFAOYSA-N 431.488 6.004 30 10 IKEE CCOC(=O)CCOc1ccc2c(c1C)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2324651705 AWIPQUCDXWRUHB-UHFFFAOYSA-N 428.484 5.610 30 10 IKEE COc1ccc(OCCCOc2ccc3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)cc1 2324697200 JBUFWHLSJZZWJD-UHFFFAOYSA-N 445.515 5.225 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1cccc(Cl)c1)C2=O)Nc1ccc(F)c(F)c1 2325517889 YWKCFICWOSXBAI-UHFFFAOYSA-N 441.817 5.252 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1N=Cc1cccc(Br)c1 2325547237 ZVMDPCBUJCHWFP-UHFFFAOYSA-N 429.387 5.476 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3ccc(Cl)cc3)c2)cc1 2325734769 MDPCZDCPYAIQJZ-UHFFFAOYSA-N 436.891 5.619 30 10 IKEE COc1cc(C(=O)Oc2cccc(C=CC(=O)c3ccc(C)cc3C)c2)cc(OC)c1OC 2325736170 DFFMHJULBKHVFE-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1OC(=O)COc1ccccc1 2325745912 BOXAQODUTKXIAX-UHFFFAOYSA-N 444.527 5.873 30 10 IKEE Cc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc(C(C)C)cc3)c2)cc1C 2325750618 BGGDBWBTBSWJQJ-UHFFFAOYSA-N 428.528 6.307 30 10 IKEE C=CCCN(Cc1ccccc1)[C@@](C)(C(=O)O)c1ccc(CNC(=O)OC(C)(C)C)cc1 2326076847 RYXUMTPRYPDBGE-AREMUKBSSA-N 438.568 5.089 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1cccc(OCC)c1O 2326252118 LXHMZRMQMQZMGO-UHFFFAOYSA-N 428.533 5.039 30 10 IKEE CCCOc1cc(C=Nn2c(C)nnc2SCc2c(F)cccc2Cl)ccc1OC 2326567839 MVIYUMKQRQVVRF-UHFFFAOYSA-N 448.951 5.351 30 10 IKEE COc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2cccc(F)c2)cc1 2328386386 SJBSQLLVBNXXOM-UHFFFAOYSA-N 448.523 5.179 30 10 IKEE Cc1ccc(OCc2nnc(SCCc3ccccc3)n2N=Cc2ccc[nH]2)cc1C 2328793023 ISZBUIWZMHJODD-UHFFFAOYSA-N 431.565 5.019 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2ccc(C)cc2)cc1 2329246919 BVYMAHAJNPYOEX-UHFFFAOYSA-N 442.588 5.669 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2ccccc2O)cc1 2329247099 SVWORVDXCGDSBY-UHFFFAOYSA-N 444.560 5.066 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccccc2)n1N=Cc1ccc(C(=O)O)cc1 2330458741 APFIFVNUOJTWEN-UHFFFAOYSA-N 442.544 5.050 30 10 IKEE Fc1cccc(CSc2nnc(Cc3ccccc3)n2N=Cc2cccc(Cl)c2)c1 2330471763 MDYZICMPSATUHQ-UHFFFAOYSA-N 436.943 5.836 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C2CCC2)c([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 2330603424 VHRZUWSPTPTPIB-UHFFFAOYSA-N 427.456 5.863 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(CC)cc3)cc2OC)cc1 2330769946 GKKQBKBANJNHLQ-UHFFFAOYSA-N 444.527 5.701 30 10 IKEE Cc1ccccc1CSc1nnc(CC(C)(C)C)n1N=Cc1cccc2ccccc12 2330810452 VVBMJEZKEKJYPA-UHFFFAOYSA-N 428.605 6.503 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(OCC)c(OC(=O)CCC)c([N+](=O)[O-])c2)cc1 2330840532 WMMZBQUNDCUWET-UHFFFAOYSA-N 439.508 5.938 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OC(=O)CSc1ccccc1 2331136388 RDTWDRSBNVJTPC-UHFFFAOYSA-N 438.932 5.942 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3OC)c(OC)c2)cc1 2331212574 VOYZSJRGDZGDIA-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)CC3CCCCC3)c(Br)c2)cc1 2331266745 DNINYXOSQLCHMV-UHFFFAOYSA-N 441.365 6.529 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1[N+](=O)[O-] 2331339192 NWWCYOVWJABVBH-UHFFFAOYSA-N 449.434 5.095 30 10 IKEE CCCSc1nnc(C(C)(C)C)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2331402561 PIVCRWDGQLMGKM-UHFFFAOYSA-N 443.016 6.192 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2OC)cc1 2331429938 XPMVKKWBUHNTTF-UHFFFAOYSA-N 444.527 6.117 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)C(C)(C)C)c(Br)c2)cc1F 2331456903 VAQZRAWKYWSHRQ-UHFFFAOYSA-N 435.289 5.444 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3sccc3C)c([N+](=O)[O-])c2)cc1F 2331457789 IMFSLEQMICNGAU-UHFFFAOYSA-N 441.436 5.228 30 10 IKEE CCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c(Cl)c2)cc1Br 2331821061 BNQKWDOGIFRDHK-UHFFFAOYSA-N 437.717 5.713 30 10 IKEE C=CC[C@H]1CCCC[C@H]1NCc1ccc(I)c(Br)c1 2349855213 MCAAWBBSBFYDGK-XJKSGUPXSA-N 434.159 5.278 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)cc(OC2CC2)c1 2362733396 WYNFEIMYIKHYFA-OALUTQOASA-N 439.394 5.110 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@H](C#N)c1c(Cl)ccc(Cl)c1Cl 2364578272 JVFHODUQLOYTRE-OAHLLOKOSA-N 429.706 6.792 30 10 IKEE Cc1cc(COc2cc(Cl)ccc2Br)cc(B2OC(C)(C)C(C)(C)O2)c1 2369695445 HCZWJHIUJVUWFM-UHFFFAOYSA-N 437.570 5.289 30 10 IKEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c(Cl)cccc1Cl)N2 14546787 YINVJIVHPQUNSK-VTJXTGGHSA-N 435.376 5.284 30 10 IKEE O=C1CCCC2=C1[C@H](c1cccs1)n1nc(SCc3ccc(F)cc3Cl)nc1N2 20134193 LRGBAIZHJAXDMZ-SFHVURJKSA-N 446.960 5.446 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc3ccccc3c2)cc1OC 20883380 YDVFYMCWUCRGPB-VXKWHMMOSA-N 441.527 5.251 30 10 IKEE O=C(Oc1ccc(Cl)cc1C(=O)/C=C\c1cccs1)c1ccccc1Br 33442291 ZNEXTHWTEFPJDX-HJWRWDBZSA-N 447.737 6.279 30 10 IKEE O=C1/C(=C\c2ccc(N3CCCCC3)o2)S/C(=N/C2CCCCC2)N1C1CCCCC1 33570901 YMARKAUCJQUIKU-DIPDZEALSA-N 441.641 6.208 30 10 IKEE Cc1ccc(/N=C2/N=C(O)S/C2=C\c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 35484913 AUZWCGFZVLFEDS-KQWNVCNZSA-N 436.540 6.580 30 10 IKEE N#Cc1cccc(CSc2nnc(COc3ccccc3Cl)n2-c2ccccc2)c1 36241068 JJJHAGQCFPAPIW-UHFFFAOYSA-N 432.936 5.664 30 10 IKEE CCN(CC)c1ccc(/C=N/c2ccc(/N=C/c3ccc(N(CC)CC)cc3)cc2)cc1 59386204 MWEVDKDURCRSQM-VFIVCBTMSA-N 426.608 6.880 30 10 IKEE Cc1cccc(N/C(=N\C(=O)c2cccc(Cl)c2)NCCc2c[nH]c3ccccc23)c1 66437610 QQWAXRKSKJCLCC-UHFFFAOYSA-N 430.939 5.570 30 10 IKEE CCCCCCCOc1ccc(NC(=O)CNc2cccc(C(=O)NCCC)c2)cc1 100104111 SCOUSRPQOTZXLD-UHFFFAOYSA-N 425.573 5.226 30 10 IKEE CCN(CC)c1ccc(/C=C2/S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)cc1 100189115 XUJPLNYHMYEWOT-ZLFJWLGHSA-N 433.621 6.470 30 10 IKEE C/C(Nc1ccc(C)cc1)=C1/C(=O)C(=O)N(c2ccc(O)cc2)[C@@H]1c1ccc(Cl)cc1 101623188 NTRUXCXPSZLYHC-YTMAHBJJSA-N 432.907 5.397 30 10 IKEE CCCCCCCCNCc1cc(Br)cc(OC)c1OCc1ccccc1 102553703 LPZFXLXGQLNVGK-UHFFFAOYSA-N 434.418 6.487 30 10 IKEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)C)cc2)cc1C 102739326 IJKRRXXQVUBBKI-FEYWKWKCSA-N 446.503 5.050 30 10 IKEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(Cl)c(OC)c(OC)c1 109909357 CZTYTVGOPJLGQI-UHFFFAOYSA-N 442.712 5.087 30 10 IKEE CCCN1C(=S)N[C@H](c2cc(Cl)ccc2OC(C)C)C(C(=O)c2ccccc2)=C1C 169928959 JOSSNXIWAPQTIP-JOCHJYFZSA-N 443.012 5.925 30 10 IKEE CC(C)Oc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2C2CCCC2)c1 169981414 IZUCIPLZJHXNET-DEOSSOPVSA-N 445.515 5.741 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2cccs2)cc1C 169989427 BZJYNIQRFAQOJZ-QFIPXVFZSA-N 435.520 5.325 30 10 IKEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccncc1)c1cccc(Cl)c1 170026120 UTVZZUXVCZTDGL-LJQANCHMSA-N 447.903 5.128 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccc(F)cc2)ccc1F 170061017 SHAPVNDERQAXGZ-OAQYLSRUSA-N 441.380 5.334 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1ccc(O)cc1)c1ccc2ccccc2c1 170132482 DLCHHLQITNNPOK-XMMPIXPASA-N 437.451 5.034 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccc(O)cc2)cc1 170133501 RJVNTHZTHQLJJL-DEOSSOPVSA-N 443.499 5.272 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccc(C)c2)cc1Cl 170140907 KQJVLLMBBPOSCW-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2cccs2)c1C 170158963 ZGPPJMAVHZYKGH-JOCHJYFZSA-N 431.513 5.083 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccncc2)c1 170197929 UMSDZRZLTQPXEU-DEOSSOPVSA-N 436.467 5.026 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OCC)cc1 170214382 JEWCWJGJDHSFED-NRFANRHFSA-N 427.928 5.507 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccccc2)c(OC)c1 170225792 UMICMBZOQSEHGJ-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1c[nH]c2ccccc12 170235062 IRNQRZGVCNXULC-JOCHJYFZSA-N 428.875 5.604 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(F)cc1)c1ccc2ccccc2c1 170237456 IZOMKYIIIJMKLV-QHCPKHFHSA-N 443.499 5.819 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 170242324 WXKPUOFNADJEMD-FQEVSTJZSA-N 448.321 6.044 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2C2CCCC2)cc1 170246331 YLFGQTMXGLEHPJ-CRICUBBOSA-N 445.559 5.654 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccccc1F)c1ccc2c(c1)CCCC2 170246843 DKFDWSSWRRKXMQ-HSZRJFAPSA-N 447.531 5.545 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccccc1F)c1ccc2c(c1)CCCO2 170247995 GTTIRELPUIMZOV-QHCPKHFHSA-N 447.437 5.073 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccc2F)c1 170248421 ZDLDFIDECLRBJM-QHCPKHFHSA-N 431.463 5.316 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1c[nH]c2ccccc12 170256120 MOXDXMDNXLYJDZ-XMMPIXPASA-N 446.547 5.724 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cc3cc(Cl)ccc3o2)=C(O)C(=O)N1C1CCCCC1 170275553 QAYBNISXFDKPBZ-QHCPKHFHSA-N 449.934 6.306 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccco1 170283940 BHYZDJJKJKROOC-HSZRJFAPSA-N 447.918 5.903 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1c(C)[nH]c2ccccc12 170312350 JOBZYGQSZSWCJW-DEOSSOPVSA-N 446.547 5.560 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2sccc2C)s1 170314098 VBECKNBBHJXWQK-MRXNPFEDSA-N 428.510 5.052 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2sccc2C)c1 170314395 FVAXGYSGBMLSKC-JOCHJYFZSA-N 445.540 5.473 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(Cl)cc(Cl)c2)[C@H]1c1ccccc1F)c1ccncc1 170381844 IBXXTPHYEUUUDV-IBGZPJMESA-N 443.261 5.310 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(Cl)cc3)[C@@H]2c2ccc(O)cc2)cc1 170413212 HJLHOFWZACQORM-HSZRJFAPSA-N 447.918 5.175 30 10 IKEE COc1ccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1 170427567 AWDAZKGUEKOQEB-SFHVURJKSA-N 433.426 5.229 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(CC)cc2)ccc1OC 170439748 JKJYBHQRFAULEU-HSZRJFAPSA-N 447.487 5.032 30 10 IKEE CCOc1cccc(/C=C2\SC(=Nc3cccc(C)c3)N(c3cccc(C)c3)C2=O)c1O 252624185 PINVISQOLIUBCR-MLSYBWHESA-N 444.556 6.216 30 10 IKEE Cc1cccc(N2C(=O)/C(=C3/Sc4ccccc4N3C)SC2=Nc2ccccc2)c1 254344208 UQQFEPJXAYJMTO-SEYIQKDNSA-N 429.570 6.174 30 10 IKEE CC(C)CCOc1ccccc1C=Nc1sccc1C(=O)Nc1ccc(Cl)cc1 254385284 VRTFNNFKISUCDX-UHFFFAOYSA-N 426.969 6.829 30 10 IKEE N#CCCN(CCC#N)c1ncnc(Nc2ccc(N=Nc3ccccc3)cc2)c1[N+](=O)[O-] 256018146 XXRTUQHHDMDTOM-UHFFFAOYSA-N 441.455 5.178 30 10 IKEE O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ccc(Br)cc1C(F)(F)F 327786498 ZQMZHRXKBBWHRQ-UHFFFAOYSA-N 430.117 5.878 30 10 IKEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCC1 498400639 JMMLETMLLYIRSS-UHFFFAOYSA-N 436.474 5.000 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccc(OCC)c2)cc1 526484528 FAUVCEQQZXQNRZ-VWLOTQADSA-N 440.499 5.413 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2sccc2C)c1 526487245 VVUQWXRRZILPMQ-QFIPXVFZSA-N 430.529 5.774 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@@H]2c2ccc([N+](=O)[O-])s2)cc1 526489264 PWWFLTZFYSOQDA-IBGZPJMESA-N 437.864 5.239 30 10 IKEE Cc1ccc([C@@H]2C(c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526489553 WGAFMKCQWHKPKS-AREMUKBSSA-N 438.527 5.959 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1cccc(OCC(C)C)c1 526811780 TUVSUVBEQJRVOH-QFEZKATASA-N 443.016 6.093 30 10 IKEE CCCOc1ccc(/C=N\n2c(C)nnc2SCc2cccc(Cl)c2)cc1Cl 526811800 UDNSUXHWBMLABS-FMCGGJTJSA-N 435.380 5.857 30 10 IKEE CCc1ccc(/C=N\n2c(CC)nnc2SCc2ccc(Br)cc2)cc1 526821064 YUVJEYHRTNIEQW-XKZIYDEJSA-N 429.387 5.340 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccc(OC)c(OC)c1 526821419 RPCMYSKIRTUPDG-MYYYXRDXSA-N 432.549 5.185 30 10 IKEE C=CCNC(=O)c1cccc(NC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1 586695380 DFZLYBGTQFTHNE-UHFFFAOYSA-N 442.544 5.832 30 10 IKEE CCCCCCCCCCCNC(=O)[C@@H]1C[C@H]1C(=O)NCCCCCCCCCCC 1082549342 LRVUMAAYXSBIAQ-JWQCQUIFSA-N 436.725 6.917 30 10 IKEE CSc1ccc(/C=C\C(=O)c2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2)cc1 1084539777 TYVDRZMIXWGZCL-PQMHYQBVSA-N 444.468 5.013 30 10 IKEE CC(/C=N\N=C1/S/C(=C\c2ccccc2O)C(=O)N1Cc1ccco1)=C\c1ccccc1 1554646369 FUFQHHQTFBJBSE-UXTFBEHYSA-N 443.528 5.547 30 10 IKEE Cc1c(N=Nc2ccc(Cl)c(Cl)c2)c(O)n([C@H](C)c2ccccc2)c(=O)c1C#N 1772741359 ICGHXNCURZYNIX-CYBMUJFWSA-N 427.291 6.066 30 10 IKEE CCN(CC)S(=O)(=O)c1ccc(N=Cc2cn(Cc3ccccc3)c3ccccc23)cc1 1772743376 QYOIRSXQKFRLDW-UHFFFAOYSA-N 445.588 5.471 30 10 IKEE Cc1ccc(-c2nn(-c3cccc(F)c3)cc2/C=N\NC(=S)Nc2ccccc2)cc1 1857808682 JEADTUJRTBOKFL-YSMPRRRNSA-N 429.524 5.307 30 10 IKEE Cc1ccc(NC(=S)N/N=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1C 1857811710 YMLCTRQXAJZNPJ-DICXZTSXSA-N 443.551 5.616 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)C1CCN(Cc2ccccc2)CC1 1861163806 JWQUYKKVISWAIK-RUZDIDTESA-N 443.676 5.050 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)c1ccccc1OCC(C)C 1861356616 WIKBWKHWHYDQPT-XMMPIXPASA-N 446.676 6.267 30 10 IKEE CCCCCCCCNC(=O)[C@](C)(CC)NC(=O)COc1cc(Cl)ccc1Cl 1861656874 ZMDNGVFAXWBCDH-NRFANRHFSA-N 431.404 5.134 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@@H]1c1ccc(OCC)cc1 1862392869 IDSYKXYXPPKROW-VWLOTQADSA-N 449.591 6.196 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1c(Cl)cccc1Cl 1862416423 OHWRXAUCBSIJIZ-MLCYQJTMSA-N 440.273 5.648 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862431878 QKQMOAHLCHWJDI-OSPHWJPCSA-N 445.946 6.242 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2[C@@H](C)CC)cc1OC 1862453038 QJYFSTLFTMGQMJ-LHSJRXKWSA-N 443.927 5.124 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1cc(Cl)cc(Cl)c1)c1c(F)cc(F)cc1F 1862466935 DIXVNPAYDXNMRF-QGZVFWFLSA-N 442.220 5.151 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccc(Cl)cc2)cc1 1862476390 KBMNEDNBWPXWNW-HSZRJFAPSA-N 437.967 6.340 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862489253 SWIIRFSBSNZGFN-XMMPIXPASA-N 445.490 5.230 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(OC)c(O)c1 1862492324 OUIBFZKUWLQLTK-HSZRJFAPSA-N 437.536 5.176 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 1862493888 ABMPUZDOKGXZDG-XUZZJYLKSA-N 447.575 5.358 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccc(C)cc2)cc1 1862501530 FBCIQZQDFKXWQL-DEOSSOPVSA-N 445.490 5.230 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862501857 MCNNUZWPAKNYMK-XMMPIXPASA-N 447.481 5.614 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccccc2Cl)ccc1F 1862502981 MQKYXHSWMMKQLK-QHCPKHFHSA-N 449.909 5.609 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc(O)cc2)cc1 1862515091 OZTRMOQAQDNEQJ-YJGRUCBDSA-N 449.547 5.338 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(Br)c2)=C(O)C(=O)N1C1CCCC1 1862523960 UFASYSVJLWUOIE-FQEVSTJZSA-N 440.337 5.278 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 1862532793 GFRZVBBPNKGYFK-VZPUWSDOSA-N 448.519 5.314 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(C)cc2)cc1OC 1862576021 KSJLVGYNXDLAHZ-XMMPIXPASA-N 449.547 5.313 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1cccc(F)c1 1862591053 UCCQAJWEQQJMJW-UGKGYDQZSA-N 425.500 5.469 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc2c(c1)OCCO2 1862620526 UGHWPACEDYUNJP-HJPURHCSSA-N 449.547 5.132 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(C(C)C)cc2)cc1 1862664445 JHOVKEAFNKKYRZ-SANMLTNESA-N 445.603 6.844 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 1862666989 PWWUJGXCXUENIC-HXOBKFHXSA-N 435.564 5.067 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 1862690179 JHLPRKFRYNVIKK-HXUWFJFHSA-N 448.346 5.771 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccccc2)cc1 1862699591 WPUVCBMQZWNONC-BVZFJXPGSA-N 441.527 5.597 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc(Cl)c2)c1 1862700280 CQMVIDSWYJCTBD-NRFANRHFSA-N 425.912 5.260 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccccc1 1862722325 PPONEJNOKBLXEI-VWLOTQADSA-N 441.527 5.357 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1Cl 1862760704 UQCBNINYAWMHRN-BBATYDOGSA-N 449.290 5.278 30 10 IKEE Cc1ccc(C2=C(Nc3cccc4c3CCCC4)C(=O)N(c3cccc(C#N)c3)C2=O)cc1C 1862879086 HOTFNMUZLBOODN-UHFFFAOYSA-N 447.538 5.451 30 10 IKEE Cc1ccc(NC2=C(c3ccc(OC(C)C)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862990224 RZRVYSGWKWVIFI-UHFFFAOYSA-N 437.499 5.051 30 10 IKEE N#Cc1ccccc1N1C(=O)C(Nc2cccc(Cl)c2)=C(c2ccccc2Cl)C1=O 1863083073 FRTFHKMFESHAME-UHFFFAOYSA-N 434.282 5.262 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cc(C)cc(C)c2)=C(c2ccc(C)cc2)C1=O 1863261330 FCURSROHGWLZKN-UHFFFAOYSA-N 446.635 6.945 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1cccc2c(O)nccc12 1866030114 ZUAZFYMLNOHWKY-UHFFFAOYSA-N 426.645 8.140 30 10 IKEE O=C(NCCc1cc2ccc(F)cc2nc1O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1868040286 ZTPMVUXZPRUGKQ-UHFFFAOYSA-N 446.322 5.090 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC[C@H](C(=O)CCCc3ccccc3)C2)nc(CCC)n1 1869230248 GSGNQBGGJZHFTM-DEOSSOPVSA-N 446.639 5.416 30 10 IKEE CC(C)c1ccc(-n2nnc(C#N)c2NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1 1870141365 NUOPGVOXECDMOB-ONNFQVAWSA-N 426.307 5.221 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OC(C)C)c(=O)cc1CSc1ccccn1 1870275065 GFMUVAMUHNCJGD-UHFFFAOYSA-N 446.613 5.227 30 10 IKEE CCCCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CN1C[C@H](C)O[C@@H](C)C1 1870353370 VOCIVJUERXZDRP-ZEQRLZLVSA-N 448.692 6.023 30 10 IKEE C=CCn1cc(OCc2ccccc2C)c(=O)cc1CN1CCC(Cc2ccccc2)CC1 1870627299 JUBNMSDWIQAKDV-UHFFFAOYSA-N 442.603 5.376 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCc2ccccc2)cn1Cc1ccc(C)cc1 1870693092 GYTKCFQLFKJQAL-UHFFFAOYSA-N 428.576 5.001 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(C)cc2)c(=O)cc1CN1CCC(C)CC1 1870770798 ZNJZLEQNSBLFQF-UHFFFAOYSA-N 438.656 6.328 30 10 IKEE CCCCCCCCCCn1cc(OCCO)c(=O)cc1CNc1ccccc1CC 1870792011 WJXGEMPUSRGAEP-UHFFFAOYSA-N 428.617 5.535 30 10 IKEE C=CCOc1cn(Cc2ccc(F)cc2)c(CNc2cc(Cl)cc(Cl)c2)cc1=O 1870809082 NNMKYDGHALHXCB-UHFFFAOYSA-N 433.310 5.519 30 10 IKEE CCCCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CNc1ccccc1C 1871059647 QLWYDEZARRJDOM-UHFFFAOYSA-N 438.656 7.255 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(N(C)C)cc1)O3)CN(Cc1ccccc1F)CO2 1871347002 QEDULBMZNJLHAR-CFRMEGHHSA-N 444.506 5.168 30 10 IKEE COc1ccccc1/C=C1\Oc2c(ccc3c2CN(Cc2cc(C)ccc2C)CO3)C1=O 1871349670 WXIQKFMNTSIXKR-MXAYSNPKSA-N 427.500 5.280 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OC(=O)CCc4ccccc4)cc(C)c3C2=O)c1OC 1871385837 OVUMFXVTIVPWTK-HAHDFKILSA-N 444.483 5.167 30 10 IKEE Cc1c(OCCCOc2ccccc2)ccc2c1O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 1871398445 PMMXUYYQKOTUMA-KQWNVCNZSA-N 431.444 5.367 30 10 IKEE Cc1c(OCCCCOc2ccccc2)ccc2c1O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 1871403475 NLLWJXYFEFARDQ-ULJHMMPZSA-N 445.471 5.757 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(O[C@H](C)C(=O)Nc3c(C)cccc3C)ccc2C1=O 1871431922 RDZIIIQRLANBFF-YNJLWJOVSA-N 443.499 5.334 30 10 IKEE Cc1cc(OCc2cccc3ccccc23)cc2c1C(=O)/C(=C/c1ccccc1Cl)O2 1871434711 TYLMIZNVMGATGD-QFEZKATASA-N 426.899 6.997 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccc(C(C)(C)C)cc4)c3C)C2=O)o1 1871445429 VNWMMSIHNNYKCE-UCQKPKSFSA-N 445.515 5.828 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C)cc4)ccc3C2=O)cc1 1871453859 VLTFYTBHLYFQAT-OYKKKHCWSA-N 429.472 5.027 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)c1C 1871459234 MSWJAKFLVMPLRX-QFEZKATASA-N 442.515 5.003 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1cccs1 1872529183 CWEBGXAJMLNPQG-FQEVSTJZSA-N 434.627 5.129 30 10 IKEE CCOC(=O)Oc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 1872760533 QSZMFSUSZFVTCZ-NRFANRHFSA-N 442.496 5.989 30 10 IKEE CCc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872770381 RKOJXXFTCAZNHV-OAHLLOKOSA-N 431.344 5.935 30 10 IKEE CC(C)c1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(Cl)c(Cl)c3)n2)cc1 1872774953 HAINGBBEWRHWAQ-KRWDZBQOSA-N 429.372 6.659 30 10 IKEE N#C[C@@H](C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1nc(-c2cccc3ccccc23)cs1 1872774973 HTGDKDGCVRFXOH-KRWDZBQOSA-N 433.876 6.015 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)c3ccc(N(C)C)cc3)n2)cc1C(C)C 1872779817 RVRUFQHVRBALBM-NRFANRHFSA-N 433.577 5.807 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2C)C(=O)N(CCCCCC)C1=O 1873102043 ACKONSIUTKDFCE-UHFFFAOYSA-N 426.645 6.386 30 10 IKEE C=CCn1c(C(=O)Nc2cc(C(C)C)cc(C(C)C)c2)cc2c(NCCN(C)C)ncnc21 1873632528 CEZNZSSOUMCQFM-UHFFFAOYSA-N 448.615 5.090 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C(F)(F)F)c2)cc2c(N(C)CCCC)ncnc21 1873665379 MLBCMLJIUQWOEF-UHFFFAOYSA-N 431.462 5.125 30 10 IKEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3cccc4c(O)cccc34)c(=O)oc2c1 1873939765 NZJHSSQENSXCKQ-UHFFFAOYSA-N 443.499 5.486 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1/N=C/c1ccccc1 1874195763 FUROJWKWQLXHEU-LGUFXXKBSA-N 434.609 5.748 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCCC)n1/N=C/c1ccc(F)cc1F 1874228488 LXWGARZZXGLBPA-AFUMVMLFSA-N 444.507 5.084 30 10 IKEE CSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccc(Br)cc1 1874254294 ULVDDVUUNOAQRG-SSDVNMTOSA-N 445.386 5.149 30 10 IKEE C=CCSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1ccccc1OCCC 1874261609 YBZOVPOGEGOODY-AFUMVMLFSA-N 444.507 5.084 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccc(C)cc3)n2/N=C/c2ccccn2)CC1 1874286116 PVIFZFDCLQIKTQ-MTDXEUNCSA-N 447.652 6.620 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2)n1/N=C/c1c(F)cccc1Cl 1874318011 WSMNOYAWYTYDGJ-BUVRLJJBSA-N 430.936 5.243 30 10 IKEE CSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874386487 RUOHEILNENQQDE-YZSQISJMSA-N 428.561 5.360 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3Cl)n2/N=C/c2ccccc2O)cc1 1874389597 VCNCDNMQZQAXCP-CVKSISIWSA-N 448.979 5.711 30 10 IKEE CCc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2cccc(C)c2)cc1 1874406740 RJCGHUWPCSQYBU-OVVQPSECSA-N 432.637 6.446 30 10 IKEE Cc1ccccc1/C=N/n1c(Cc2cccs2)nnc1SCc1ccc([N+](=O)[O-])cc1 1874411717 JDYPIWCGBMWPNC-OEAKJJBVSA-N 449.561 5.322 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3cccs3)n2/N=C/c2ccccc2F)c1 1874412592 QSOKTZQDUQMYKD-AFUMVMLFSA-N 436.581 5.861 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2ccccc2[N+](=O)[O-])cc1 1874415173 BWAAOFNAINCTMW-PCLIKHOPSA-N 443.532 5.260 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccccc2)c1 1874427106 RCZHOLLTRLQNFO-ZVHZXABRSA-N 445.504 5.042 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2[C@@H]2CCCO2)cc1 1874451570 FQYBLWPTGGKDQF-DAFNMPDCSA-N 434.899 5.236 30 10 IKEE FC(F)(F)c1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1cccs1 1874462973 NJFNWANKPUUWSX-QPSGOUHRSA-N 437.299 5.840 30 10 IKEE CCCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1sccc1C 1874479162 LWACIJGKNNHGMC-SSDVNMTOSA-N 439.437 6.472 30 10 IKEE CCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1/N=C/c1ccc(C(C)C)cc1 1874507169 OUNAPPIAJZAVOD-ZVHZXABRSA-N 440.569 5.298 30 10 IKEE CCCc1nnc(SCc2nc(O)c3ccccc3n2)n1/N=C/c1ccc(C(C)C)cc1 1874508805 WLPOYPGGOAAGQA-AFUMVMLFSA-N 446.580 5.177 30 10 IKEE CC(C)c1nnc(SCc2cccc3ccccc23)n1/N=C/c1cccc([N+](=O)[O-])c1 1874515389 WBCHBFZOEXPGCW-ZVHZXABRSA-N 431.521 5.637 30 10 IKEE CCOC(=O)c1ccc(COc2ccc3ccccc3c2/C=C/C(=O)c2ccccc2)o1 1874578596 WYGBBBTUBJWGKY-CCEZHUSRSA-N 426.468 6.085 30 10 IKEE COc1cc(Br)cc(/C=C/C(=O)c2cccc3ccccc23)c1OCCCO 1874583283 GEPPPQSPFSBWBO-ZHACJKMWSA-N 441.321 5.268 30 10 IKEE COC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1cc(Cl)cc(Cl)c1OC 1874586891 JXQFEZAWLOWYJN-CMDGGOBGSA-N 445.298 5.603 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OCC(=O)Nc1nccs1 1874603649 YDQQXAWDOQXYBJ-UXBLZVDNSA-N 444.512 5.219 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)c1 1874605081 GTTQMFNTKNNWQV-YRNVUSSQSA-N 441.296 6.072 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1)c1ccc(Br)cc1 1874608090 VZDDMXDAASORAJ-WUXMJOGZSA-N 438.277 5.832 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2F)c(Cl)c1)c1ccc(Cl)c(Cl)c1 1874616085 YSUUBSUFYZVXKI-WEVVVXLNSA-N 435.709 7.261 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cccc(OC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)c1 1874698860 QVMYUKUTPHYMRA-WRBWEIJPSA-N 432.903 5.954 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)CCC)c2)cc1 1874708564 JGDWNIXVKAVIQE-GZTJUZNOSA-N 438.564 6.646 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC(=O)[C@@H](C)c2ccccc2)c1 1874710261 YZEYFWLHBIFCNI-VISDOYDDSA-N 442.555 6.598 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc([N+](=O)[O-])c1OC(=O)CC 1875078524 PAGRUMKJJKECDQ-XNTDXEJSSA-N 445.471 5.872 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc(F)cc1F 1875110451 LSMKJSAJNLEDQV-YRNVUSSQSA-N 442.845 6.132 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1[N+](=O)[O-] 1875113581 OAHNWRSBGMIOCO-JLHYYAGUSA-N 435.863 5.683 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)Cc1ccccc1 1875115955 CRSLGGWSNVLHDW-RIYZIHGNSA-N 431.444 5.038 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)c1ccc(OC)c(OC)c1 1875128283 BNBPNGNZCDMIBA-JLHYYAGUSA-N 432.472 5.218 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)c1sccc1C 1875138286 SFZSODPCYWWTOG-CMDGGOBGSA-N 436.529 5.806 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)CCCSC 1875141498 HPJPHMSGOPPFQF-JXMROGBWSA-N 432.513 5.096 30 10 IKEE CCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1OC 1875165643 RIQBZGCPIOQABD-LFIBNONCSA-N 446.499 6.098 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)cc3)c(Cl)c2)c(C)c1C 1875168032 UGZAHNFSNNDWQE-KPKJPENVSA-N 434.919 6.389 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1 1875182384 AMTKPDKIOWHLER-NTCAYCPXSA-N 428.528 6.055 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N(CCO)CCCC)n2CCCC 1875212321 HIQXLKZSXZYHRU-UHFFFAOYSA-N 445.652 5.238 30 10 IKEE N#Cc1ccc(OCc2cccc(Br)c2Br)c(Br)c1 1889067714 WTOIILYCYHXLBT-UHFFFAOYSA-N 445.936 5.425 30 10 IKEE O=C(Nc1cc(C(F)(F)F)ccc1F)N1CC[C@H](Cc2ccc(C(F)(F)F)cc2)C1 1891370403 FRQKXRLMTMDTED-CYBMUJFWSA-N 434.355 5.960 30 10 IKEE O=C(Nc1c(F)c(F)c(F)c(F)c1F)N1CC[C@@H](Cc2ccc(C(F)(F)F)cc2)C1 1892030071 KNCWYALNWNOASN-JTQLQIEISA-N 438.318 5.497 30 10 IKEE N#Cc1ccc(OC2CCN(C(=O)[C@H](Sc3ccccc3)c3ccccc3)CC2)cc1 1892322788 QBSMUTVJSZPTNB-RUZDIDTESA-N 428.557 5.462 30 10 IKEE C[C@H]1[C@H](Nc2cc(Br)c(C#N)cc2F)CC(C)(C)CN1Cc1ccccc1 1916248944 XELIGTSBDUBRSA-YCRPNKLZSA-N 430.365 5.561 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@]1(C#N)C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 1931346492 GISKZUKAJSRAAU-NPIYKFRDSA-N 431.580 5.513 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 1945528046 UTLJJFAFJWEGDS-MNEFBYGVSA-N 433.524 5.105 30 10 IKEE Cc1ccc(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 1950025260 DPNADBKBSDBFNY-ROMRWMGNSA-N 427.545 5.028 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@@]2(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1953300256 XXFVVEBFILEUGR-OZAHESQGSA-N 441.572 5.009 30 10 IKEE CCCCCCC[C@H](O)[C@@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1975117229 PKHQAXKDKVXQFT-JYFHCDHNSA-N 439.552 5.090 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@@H](C#N)[C@]1(C)CCCN1C(=O)OC(C)(C)C 2020804616 QTLNEMKXDCGWGY-MBSDFSHPSA-N 433.524 5.249 30 10 IKEE Cc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=Nc3ccccc3)NC2=O)cc1 2040447115 OBKAQMYVXXITMB-UHFFFAOYSA-N 436.540 5.739 30 10 IKEE CC1(C)CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)[C@H](OCc2ccccc2)C1 2043774172 DJZNGGUTBIKQKN-YIXXDRMTSA-N 440.628 6.614 30 10 IKEE CC(C)(C)OC(=O)N1CCC(C=O)(Cc2ccc(Cl)c(Br)c2F)CC1 2047984013 BYWXYMKUBRPMCM-UHFFFAOYSA-N 434.733 5.000 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C12CCC2 2057186365 WUKLKPPPDPRRLL-DEOSSOPVSA-N 445.535 5.393 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CC[C@](F)(CNC(=O)OC(C)(C)C)CC1 2058305329 VUKTWLWAWDSZRN-JCYRPKCISA-N 448.623 5.551 30 10 IKEE Cc1ccc([C@@H](C2CCC2)n2nc(C3CC3)c(C#N)c2I)c(C)c1 2079026959 LWDQPZNPOBAQLN-LJQANCHMSA-N 431.321 5.243 30 10 IKEE CCCc1ccc([C@H](C2CCC2)n2nc(C3CCC3)c(C=NO)c2Br)cc1 2079856005 ONCRSCSTKMTJKX-NRFANRHFSA-N 430.390 6.063 30 10 IKEE CCOC(=O)c1c(C(F)(F)F)nn([C@@H](c2ccc(C(F)(F)F)cc2F)C(C)C)c1N 2079956856 IAFIRJUHFWMHOS-CYBMUJFWSA-N 441.347 5.064 30 10 IKEE COc1ccc([C@H](n2nc(C(C)(C)C)c(C=NO)c2Br)C(C)(C)C)c(F)c1 2080073194 GAZOEHSTBYAKHO-KRWDZBQOSA-N 440.357 5.534 30 10 IKEE Fc1c(-c2c(C(F)(F)F)nn(C(F)(F)F)c2Br)cccc1C(F)(F)F 2080912072 DEJSEHICYZKYQY-UHFFFAOYSA-N 445.054 5.966 30 10 IKEE C=CCCCCCCCC[C@H](NCC)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2086264632 VXZOGZREWCIUQH-LOSJGSFVSA-N 446.676 6.381 30 10 IKEE COc1ccc(CN(Cc2ccccc2)CC2CCCC2)cc1B1OC(C)(C)C(C)(C)O1 2095817424 ANVMAQQWYPBXJN-UHFFFAOYSA-N 435.417 5.187 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)c(Br)c1)NCCC 2110503488 KDZNVHALSWYNFH-ZWKOTPCHSA-N 445.829 5.483 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)[C@@H]1[C@@H]2CCC(F)(F)[C@@H]21 2119359420 NZSZCUJGBCOPRO-FZKCQIBNSA-N 427.289 5.374 30 10 IKEE C=CCC[C@@H](C)[C@H](NCCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134733147 CXXPPNWAKBYJKQ-HLADLETHSA-N 443.631 7.488 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CC12CCC(Nc1ccc(C#N)cc1Br)CC2 2158249755 JQKDRMFSUUOFJZ-FQWCMUAHSA-N 434.378 5.206 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)C1(C#N)C[C@@H]2CC(F)(F)C[C@H]2C1 2160232152 UJIQXUPGTDVSHF-ZIAGYGMSSA-N 441.316 5.908 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(OCCNc2cc(Br)ccc2C#N)cc1 2162412293 CMXHNQXOBOOSHU-UHFFFAOYSA-N 432.318 5.159 30 10 IKEE C=C(C)C[C@@H](NCCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229117873 FKIBBFOVTRLCPW-RTBURBONSA-N 425.411 5.219 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCC[C@@H](C(C)(C)C)C1 2238180193 OQGBQZOUSDSJQJ-OPAMFIHVSA-N 435.406 6.689 30 10 IKEE C#C[C@H](C)[C@H](OCCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2262615988 FZLNJGWEILZAKW-DWACAAAGSA-N 429.560 5.520 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)CC(C)(C)CNC(=O)OC(C)(C)C 2296218926 JMFYVCQIQQIENW-IBGZPJMESA-N 437.422 5.110 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)N(c4ccccc4)c4ccccc4)ccc3C2=O)o1 2296867314 ICUSUNFKOGBTJQ-UHFFFAOYSA-N 437.451 6.541 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3c(ccc(OCc4ccccc4F)c3C)C1=O)cn2C 2296871377 RNZYUJBZGAKCMM-UHFFFAOYSA-N 443.474 5.830 30 10 IKEE COc1ccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3cccs3)C4)C2=O)cc1OC 2296984295 ZMEZWWGCUFZDNP-UHFFFAOYSA-N 449.528 5.042 30 10 IKEE COc1ccc(C(O)=C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 2297056975 DDOKQZLYLWWRCT-QHCPKHFHSA-N 445.515 5.208 30 10 IKEE COc1ccc(OCC(=O)Nc2ccc(C(=O)C=Cc3ccc(SC)cc3)cc2)cc1 2297461451 WKYOUHBZULHIMX-UHFFFAOYSA-N 433.529 5.331 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(OCCCOc3ccc(CC)cc3)cc2)SC1=S 2297624774 MUIWLGFMGOTAKR-UHFFFAOYSA-N 439.602 5.484 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)C[C@@H]2CCCC[C@@H]21 2313242018 LWNMPTVQHXAWAF-IPVQETTRSA-N 442.644 5.601 30 10 IKEE CCOc1ccc(C=CC(=O)c2ccc(OC(=O)c3c(OC)cccc3OC)cc2)cc1 2314429755 NZBFPUMJQHEHNR-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE COc1cccc(COc2ccc3c(c2)OC(=Cc2cccc(Cl)c2Cl)C3=O)c1 2314437811 XEJRLZCZAHOWKM-UHFFFAOYSA-N 427.283 6.197 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCc4ccc(Cl)cc4Cl)ccc3C2=O)cc1 2314438570 XIZPJHHXZZOXNY-UHFFFAOYSA-N 441.310 6.587 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCC)c2ccc(OCc3ccccc3)cc2)C1 2314452302 LUKVYQBFGADUIB-DEOSSOPVSA-N 436.596 5.777 30 10 IKEE O=C1C(=Cc2cccc([N+](=O)[O-])c2)SC(=Nc2cccnc2Cl)N1C1CCCCC1 2314539956 FPQPQAOZDLKYSD-UHFFFAOYSA-N 442.928 5.580 30 10 IKEE CCN1C(=O)C(=Cc2ccc(-c3ccccc3Cl)o2)SC1=Nc1cccnc1Cl 2314540260 MQCRMSAOKLFBEV-UHFFFAOYSA-N 444.343 6.272 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(SCc2ccccc2F)nnc1C1CC1 2320855490 QATRMLQOARKOPH-UHFFFAOYSA-N 432.524 5.631 30 10 IKEE Cc1cc(OCC(=O)OC(C)C)cc2c1C(=O)C(=Cc1ccc(-c3ccccc3)cc1)O2 2321862562 AIMHCHRUTSQURQ-UHFFFAOYSA-N 428.484 5.609 30 10 IKEE O=C(C=Cc1c(OCc2cccc(F)c2)ccc2ccccc12)c1cccc([N+](=O)[O-])c1 2322308000 UPQLFHIYKWWGBK-UHFFFAOYSA-N 427.431 6.362 30 10 IKEE Cc1ccc(C(=O)C=Cc2c(OCC(=O)Nc3ccccc3C)ccc3ccccc23)c(C)c1 2322572571 DIXPCJXMJGVURF-UHFFFAOYSA-N 449.550 6.679 30 10 IKEE Cc1cc(OC(=O)c2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1ccc3c(c1)OCO3)O2 2322705123 QVLUGLCNJDIEDG-UHFFFAOYSA-N 434.831 5.213 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCCc3ccccc3)ccc3ccccc23)c(C)c1C 2322818819 NULJKKRFRFFIQH-UHFFFAOYSA-N 436.551 6.983 30 10 IKEE CCc1ccc(NC(=O)COc2ccccc2C=CC(=O)c2cc(C)c(OC)cc2C)cc1 2322981346 VALRCHIZATYTEC-UHFFFAOYSA-N 443.543 5.788 30 10 IKEE Cc1cccc(COc2ccc3ccccc3c2C=CC(=O)c2cc(Cl)ccc2Cl)c1 2322999320 FYEUKQODEMEJGJ-UHFFFAOYSA-N 447.361 7.930 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)c4ccc(Cl)cc4[N+](=O)[O-])ccc3C2=O)cc1 2323282988 UKHBRHVTVFJICE-UHFFFAOYSA-N 449.846 5.646 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)C=Cc1ccccc1Cl 2323396451 KOHPFWNFMCUXLN-HXUWFJFHSA-N 425.038 5.068 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc(Br)cc1 2323580837 QCRWTFNBKUIPPG-UHFFFAOYSA-N 427.725 6.578 30 10 IKEE Cc1cc(OC(=O)c2ccc(OCC(C)C)cc2)cc2c1C(=O)C(=Cc1cccnc1)O2 2323635150 JOWTTZMONWECRV-UHFFFAOYSA-N 429.472 5.260 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2OC)C3=O)c1 2323857905 AQSQKZGPTDHXKO-UHFFFAOYSA-N 442.467 5.404 30 10 IKEE CCCCOc1ccc(C=NNc2nc(-c3ccccc3OC)cs2)cc1OCC 2323874482 UTAWXMCMLZTWNB-UHFFFAOYSA-N 425.554 5.842 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1OCc1cc(C)ccc1C 2323907957 XOYDWRWLIASJIV-UHFFFAOYSA-N 445.515 6.394 30 10 IKEE CCn1cc(C=C2Oc3cc(O[C@H](C)C(=O)OC(C)C)ccc3C2=O)c2cc(OC)ccc21 2324305273 SUHIDBLRGZGARQ-MRXNPFEDSA-N 449.503 5.005 30 10 IKEE CCOc1ccccc1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)OC(=Cc1cccs1)C2=O 2324325284 SSVCDYJWUMRUNZ-INIZCTEOSA-N 449.528 5.477 30 10 IKEE C=CCc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OCc1ccccc1F 2324564023 OYHPXVIUSINKMM-UHFFFAOYSA-N 444.546 6.963 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)ccc1OCc1ccc(F)cc1 2324585052 UDYAWMQAEUSDIQ-UHFFFAOYSA-N 446.562 7.305 30 10 IKEE Cc1ccc(OCCCCOc2cc(C)c3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1 2324588676 DGHQSKBFBOCPRE-UHFFFAOYSA-N 432.491 6.297 30 10 IKEE Cc1c(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2)ccc2c1OC(=Cc1cccs1)C2=O 2324611554 HVUHXKPKXSXXND-AWEZNQCLSA-N 439.920 5.732 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCCOc4cccc5ccccc45)ccc3C2=O)cc1 2324693496 CMWVYFCCTVLQAU-UHFFFAOYSA-N 436.507 6.476 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2cc(Cl)ccc2OC)cc1 2324693818 COPPIXXDSCBWTN-UHFFFAOYSA-N 449.934 5.825 30 10 IKEE CCOc1ccccc1NC(=O)COc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O 2324893302 RREQRJQPPITXGP-UHFFFAOYSA-N 449.890 5.372 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1ccc2c(c1C)OC(=Cc1cccc(F)c1)C2=O 2325093013 NFCQSOGMKIGFLQ-OAQYLSRUSA-N 440.511 6.031 30 10 IKEE O=C1C(=Cc2cccs2)Oc2cc(OCc3cccc(Oc4ccccc4)c3)ccc21 2325345548 HSAUOZRVHTVZJP-UHFFFAOYSA-N 426.493 6.736 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cccc(C)c3)c2)cc1OC 2325702739 JBAAFDJHHNJVCU-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(F)cc3)c2)cc1 2325738739 JKFRDUYBBZUFJR-UHFFFAOYSA-N 434.463 5.738 30 10 IKEE CCCCCCOc1ccccc1C(=O)C=Nn1c(C)nnc1SCc1ccccc1 2326211570 QBOHNSNFGZTYRE-UHFFFAOYSA-N 436.581 5.555 30 10 IKEE Cc1ccc(COc2ccccc2C=Nn2cnnc2SCc2cccc(C)c2)cc1 2326369359 GTGIHJHDDWSJPJ-UHFFFAOYSA-N 428.561 5.648 30 10 IKEE CCCOc1ccc(C=Nn2c(CCCOc3ccccc3C)nnc2SCC)cc1 2327082700 PPLKIQMKBMFMMC-UHFFFAOYSA-N 438.597 5.381 30 10 IKEE CCCSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1c[nH]c2ccccc12 2327208141 XDQUMRVTHGVVBZ-UHFFFAOYSA-N 433.581 5.464 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccc(OCC)cc1 2327578321 ATNUMFUEWOXDNF-UHFFFAOYSA-N 430.961 5.294 30 10 IKEE C=CCSc1nnc(Cc2ccc(OC)cc2)n1N=Cc1c(OC)ccc2ccccc12 2329283145 HTPXVCGBHBDKNW-UHFFFAOYSA-N 444.560 5.200 30 10 IKEE CCCCCCOc1ccc(C=Nn2c(CC3CCCCC3)nnc2SC)cc1OC 2330221328 XUEIXSZJBSUUOO-UHFFFAOYSA-N 444.645 5.973 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1ccncc1 2330609338 YSOYKUUOMIRBPE-UHFFFAOYSA-N 449.506 6.263 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccccc2)n1N=Cc1ccccc1OC(C)C 2330634971 JKURWJLWVRTQCU-UHFFFAOYSA-N 442.588 6.215 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3cc(C)c(Cl)c(C)c3)cc2)cc1 2330740721 LRQRTMIYVGBFFD-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)ccc1OC(=O)c1ccc(OC)cc1 2330794764 YEMZKTCWLGRSSI-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)CCC)c(OCC)c2)cc1 2330839696 OKABXSPJUVMSCY-UHFFFAOYSA-N 428.956 6.683 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3OC)c(OC)c2)cc1 2330849560 MNXKUDJNPMRBIY-UHFFFAOYSA-N 444.527 6.162 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)CCCSC 2331084282 PARJCLLHERCARM-UHFFFAOYSA-N 440.895 5.572 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1cc2ccccc2n1C 2331136497 MROONGXDUNPXEJ-UHFFFAOYSA-N 445.902 5.956 30 10 IKEE Cc1ccccc1CCC(=O)Oc1ccc(C=CC(=O)c2ccccc2)cc1Br 2331169250 RUKNYASYHOXJKF-UHFFFAOYSA-N 449.344 6.192 30 10 IKEE CCCCCCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccccc2)cc1OC 2331177859 HBNYJEZUTYHAGI-UHFFFAOYSA-N 445.353 6.230 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(C)c3)c(Cl)c2)cc1 2331304217 RJEJCTJSRWELIN-UHFFFAOYSA-N 434.919 6.553 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)COc3ccccc3)c([N+](=O)[O-])c2)c1 2331322832 WNHFYJMTJIVMSA-UHFFFAOYSA-N 431.444 5.092 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)c3cc(C)cc(C)c3)c(OC)c2)c1 2331394784 XUSDHTYCZHLDEX-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2331417203 XROIMYUZAFJCSO-UHFFFAOYSA-N 445.932 5.017 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(C=CC(=O)c3cccc4ccccc34)cc2)c1 2331470192 QZROKWYKMXGDIR-UHFFFAOYSA-N 436.507 6.283 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OC(=O)CC1CCCCC1 2331478906 HCZMUUWAQRBUFO-UHFFFAOYSA-N 442.555 7.010 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(-n2cccc2)cc1 2331540110 IIMSQIYGQGQZGI-UHFFFAOYSA-N 441.458 5.740 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)[C@H]3CCCO3)c(Cl)c2)cc1C(C)C 2331575283 KKZFPWFMUCNERI-HSZRJFAPSA-N 442.939 5.761 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OC(=O)c1ccncc1 2331589814 XEFSMZNJPZUGFH-UHFFFAOYSA-N 445.515 5.646 30 10 IKEE CC(C)c1nnc(SCCO)n1N=Cc1c(OCc2ccccc2)ccc2ccccc12 2331711497 RKBBOBSBPWWRQG-UHFFFAOYSA-N 446.576 5.100 30 10 IKEE CCCC(=O)Oc1ccc(C=CC(=O)c2cc(Cl)ccc2OC)cc1Br 2331876905 CZYXPDDPQZYLOS-UHFFFAOYSA-N 437.717 5.713 30 10 IKEE COC(=O)c1nc(-c2cccs2)oc1NN=Cc1ccc(OCc2ccccc2)cc1 2331931865 BOQRCPXYAKTHNI-UHFFFAOYSA-N 433.489 5.215 30 10 IKEE C[C@H](CCCCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339579388 VNDGQQZKNVHDAA-LGHUBQEGSA-N 446.397 5.189 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NC)c1cc(Br)cc(OC2CC2)c1 2362708162 KKGNLVUCRPYHHX-RBUKOAKNSA-N 439.394 5.110 30 10 IKEE CC1(C)OB(C=Cc2ccc(Nc3ccc(Br)c(Cl)c3)nc2)OC1(C)C 2365050275 LDZVKYOUSLNLBG-UHFFFAOYSA-N 435.558 5.886 30 10 IKEE COc1cc(Br)cc(/C=N/c2cccc(-c3nc4ccc(C)cc4o3)c2)c1O 3184587 QOEQRJXRNVLSOW-WYMPLXKRSA-N 437.293 6.031 30 10 IKEE CCCCOc1ccc(/C=C2\S/C(=N\c3ccc(O)cc3)N(CC)C2=O)cc1OC 16935937 CAHFJWSGBWJQIH-YACCPEJUSA-N 426.538 5.204 30 10 IKEE Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@H]3c2ccc(O)c(O)c2)cc1 17101413 VDEXBJLFOQKVLE-DWXRJYCRSA-N 437.499 5.172 30 10 IKEE C=CCNC(=O)c1cccc2c1N[C@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@@H]21 20703389 AOGSDGIGTFTVIZ-ONBPZOJHSA-N 436.555 6.008 30 10 IKEE CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2F)cc1 21226748 GMKROOPHKSQSFC-WHLCRQNOSA-N 440.562 7.103 30 10 IKEE CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 21234304 CFMRBVOUGVLRKP-NZQKXSOJSA-N 429.604 6.286 30 10 IKEE CC(C)Oc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)cc2Cl)cc1 21260703 MGNXNYCFROLECR-BEFAXECRSA-N 444.358 5.785 30 10 IKEE CCOC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CC[C@](C#N)(c1ccccc1)C2 23317903 JYLIWRGJNUBFLL-VWLOTQADSA-N 436.577 5.394 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\Oc3ccc(C)cc3C2=O)cc1OC 39842412 YMMNQUPMFLQYPA-MYYYXRDXSA-N 438.483 5.481 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)S/C1=N/c1cccnc1 39862922 XIEYNJXLJJFSHQ-WFFFFOTMSA-N 441.556 5.759 30 10 IKEE C=CCOc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccc(F)cc2)cc1 39876401 DSCUMHHMXSMROB-HSZRJFAPSA-N 445.421 5.386 30 10 IKEE C=C(C)C(=O)NCCCCCc1nc2ccccc2n1CCOc1cc(C)ccc1C(C)C 40219775 IVVKRSUYAPNLIQ-UHFFFAOYSA-N 447.623 5.952 30 10 IKEE CCCCCCCCCCOc1cc(OCCCCCCCCCC)cc(C(=O)O)c1 43845693 YRNZOVUMYBUPTG-UHFFFAOYSA-N 434.661 8.424 30 10 IKEE Cc1ccccc1/C=N\N=C1\S/C(=C\c2ccc(Cl)cc2)C(=O)N1Cc1ccco1 47138609 LXTRFIAHLLSXRW-ZJHZAIRNSA-N 435.936 5.748 30 10 IKEE Cc1cccc(/N=C2\NC(=O)/C(=C/c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)S2)c1 59427281 FTHXXDRBIMGXCR-MTJSOVHGSA-N 432.505 5.202 30 10 IKEE Cc1ccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N/c3cc(Cl)cc(Cl)c3)S2)c(C)c1 100263007 CVVJBSXSRJAWLL-DVCONVQISA-N 436.364 5.200 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3c(Cl)cccc3Cl)o2)S/C1=N/c1ccccn1 101123998 HVBPRSVJFOLYBL-OCNOMVSZSA-N 430.316 5.882 30 10 IKEE CCCCCCCCn1c([C@@H]2CC(=O)N(c3cc(OC)ccc3OC)C2)nc2ccccc21 102204641 BXPFMIHCDAWOQG-HXUWFJFHSA-N 449.595 5.935 30 10 IKEE CCCCCCCCCCCCCCCCCCCCCC(=O)NCCN(CC)CC 113061244 KHPAAXRLVYMUHU-UHFFFAOYSA-N 438.785 8.266 30 10 IKEE C=C(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 119043613 HVXLSFNCWWWDPA-LIIHPMGPSA-N 426.729 8.169 30 10 IKEE CCCN1C(=S)N[C@H](c2cccc(Br)c2)C(C(=O)c2ccccc2)=C1C 169928642 VDNZMKMGKCYNOQ-LJQANCHMSA-N 429.383 5.247 30 10 IKEE CCCOc1c(OC)cc(/C=N\Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1[N+](=O)[O-] 169941264 ZHKOODNLBOMPQG-FMCGGJTJSA-N 440.525 5.579 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3ccccc3)cs2)cc(Br)c1OC 169942308 MMBYBEZLZFJFMF-NHDPSOOVSA-N 432.343 5.426 30 10 IKEE CCCOc1ccc(/C=N\Nc2nc(-c3ccc(OC)cc3OC)cs2)cc1OC 169943096 LHJSWFCNYVSGAW-QRVIBDJDSA-N 427.526 5.071 30 10 IKEE COc1cc(/C=N\Nc2nc(C)cs2)cc([N+](=O)[O-])c1OCc1cc(C)ccc1C 169943254 MGCNCJMMTXPVQF-YVNNLAQVSA-N 426.498 5.010 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2cccc(O)c2)cc1 170079555 RKECIIUNLGPWTN-XMMPIXPASA-N 443.499 5.307 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@@H]1c1ccccc1OC 170125521 NRMSYZAZTNSCPS-NRFANRHFSA-N 443.927 5.126 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1cccc(C)c1 170142742 NBZUBBVSCTWWQP-DEOSSOPVSA-N 441.527 5.712 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccncc2)c1C 170203080 KZRQWFMTSISNHS-XMMPIXPASA-N 442.515 5.269 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(OCC)cc1 170213665 XJKPKJNUMKMFHB-XMMPIXPASA-N 429.516 5.617 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@H]1c1ccccc1 170232307 RLMOLNQNDXCMNN-LJQANCHMSA-N 428.326 5.136 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(Cl)cc2)c(C)c1 170236906 IHDRVLJCTCDVLM-OAQYLSRUSA-N 425.912 5.178 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@H]1c1ccccc1C 170276622 ODTABKPLXNFHNK-OAQYLSRUSA-N 427.928 5.426 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)c(OC)cc3C)[C@H]2c2ccco2)cc1 170285454 QJRABXFTVGWWMR-HSZRJFAPSA-N 447.487 5.087 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)ON=C1CCc2cc(OC)ccc21 252607344 HAWPHJBFQGNYHZ-UHFFFAOYSA-N 443.672 8.150 30 10 IKEE Cc1ccc(C(COc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2C)=NO)cc1 254385862 TTXILKDUFBKGQG-UHFFFAOYSA-N 427.500 5.566 30 10 IKEE COc1cc(C=Nn2cc(-c3ccccc3)nc2S)ccc1OCc1ccc(F)cc1 254484495 CJSWIBIWBCUSNI-UHFFFAOYSA-N 433.508 5.448 30 10 IKEE O=C1/C(=C/c2c(Cl)cccc2Cl)SC(=Nc2ccccc2)N1c1ccccc1 254814262 DZJPWZNHDUOBSF-FTNSYOLJSA-N 425.340 6.802 30 10 IKEE O=C(Oc1ccc(C=Nc2ccc(N3CCOCC3)cc2)cc1)c1cccc2ccccc12 254866857 UOQSRKAABFAWBW-UHFFFAOYSA-N 436.511 5.646 30 10 IKEE C=CCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2CC)SC1=Nc1ccc(C)cc1 254871629 BWOPZPQDMSIARW-QLMUGPIMSA-N 437.590 5.554 30 10 IKEE C=CCOc1ccc(CNc2cc(Br)ccc2I)cc1 380409603 HAXRYXQQZDPNSK-UHFFFAOYSA-N 444.110 5.231 30 10 IKEE N#C[C@@H](Nc1ccccc1Br)c1c(Br)cncc1Br 394525778 KUTAWRWNWQBPAA-GFCCVEGCSA-N 445.940 5.046 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3Cl)[C@H]2c2cccs2)c1 526521569 MXNLIFNCCIMNHD-LJQANCHMSA-N 427.312 5.984 30 10 IKEE Cc1cc(C)cc(CSc2nnc(C)n2/N=C\c2c(Cl)ccc(Cl)c2Cl)c1 526810052 VCDKFPPIYVIWNQ-AQHIEDMUSA-N 439.799 6.338 30 10 IKEE N#Cc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccccc2Cl)cc1 526823680 NNLCXCMZSCOXNX-YUMHPJSZSA-N 443.963 5.568 30 10 IKEE Cc1sc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)cc1Br 698924318 SZCPZNYZHMLAON-HNNXBMFYSA-N 425.323 5.965 30 10 IKEE COc1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2)cc(Br)c1O 700616610 RUZPTRCUDKFQNA-MRXNPFEDSA-N 433.302 5.170 30 10 IKEE Cc1cc(C)cc(NS(=O)(=O)c2ccc(N=Cc3c(O)ccc4ccccc34)cc2)c1 1083949088 SXBISSSVINEKLY-UHFFFAOYSA-N 430.529 5.714 30 10 IKEE Clc1ccc(COc2ccc3ccccc3c2C=NNc2nc3ccccc3[nH]2)cc1 1084013946 FWTDAAQQISERSB-UHFFFAOYSA-N 426.907 6.395 30 10 IKEE CC(C)=CC(=O)NC1=CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@@H]3CC[C@H]2[C@@H](C)N(C)C)C1=O 1615811131 FPBGDMGTAHIUMI-QAAGLWRRSA-N 440.672 5.351 30 10 IKEE C=C(C)CN(CC)c1nnc(-c2cc3ccccc3o2)n1Cc1c(CC)nn(C)c1CC 1705712698 DIWUSZQRKSJAIG-UHFFFAOYSA-N 432.572 5.000 30 10 IKEE Cc1cccc(N=C2S/C(=C/C=C/c3ccco3)C(=O)N2c2cccc(C)c2C)c1C 1772742939 ZSSOKLHEPSQENH-NDWRUBNOSA-N 428.557 6.878 30 10 IKEE Cc1c(C(=O)NCc2ccco2)oc2c1C(=NNc1cccc(C(F)(F)F)c1)CCC2 1772750846 PDAZPAYPJQVDRA-UHFFFAOYSA-N 431.414 5.282 30 10 IKEE N#CCc1cc(-c2ccc(OC(F)(F)F)cc2)cnc1-c1ccc(OC(F)(F)F)cc1 1848361637 AFDFUUVQRUNHJT-UHFFFAOYSA-N 438.327 6.279 30 10 IKEE CCc1ccc(-n2cc(/C=N\NC(=S)Nc3ccc(F)cc3)c(-c3ccccc3)n2)cc1 1857810095 PJBUTIHMQYBVMJ-YUMHPJSZSA-N 443.551 5.561 30 10 IKEE S=C(N/N=C\c1cn(-c2cccc(Cl)c2)nc1-c1cccs1)Nc1ccccc1 1857810778 FNRLKEOUWJITHD-QRVIBDJDSA-N 437.981 5.575 30 10 IKEE CCc1c(OCc2ccccc2C#N)c(=O)ccn1CCCCCCCCCCC(=O)O 1857912628 QXOWCWQDBGHPFZ-UHFFFAOYSA-N 438.568 5.457 30 10 IKEE CC[C@H](C)N(C(=O)c1ccc(F)c(F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1859899389 NNBWTQKBAYLJQG-JTQLQIEISA-N 425.319 6.448 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(CCCC)cc2)n(Cc2cc(C)ccc2C)n1 1862333881 BIQCKHOUTWGYBF-UHFFFAOYSA-N 441.619 6.372 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccc(N(CC)CC)cc2)cc1 1862393969 GVXAZPAIZIKHLV-VWLOTQADSA-N 446.591 5.616 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@H]2c2cccc(Br)c2)cc1 1862399218 BELPVJKTHROTNT-FQEVSTJZSA-N 442.353 5.390 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@H]2c2cccc(F)c2)cc1 1862414080 RFMYYOBCQXXUKC-JOCHJYFZSA-N 437.417 5.191 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862438789 QZNWSIUCYKWDAW-GOSISDBHSA-N 449.290 5.136 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(Cl)c1 1862446290 OUTVJKXVAOAWMT-XWRIVVANSA-N 444.358 6.150 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2[C@H](C)CC)cc1OC 1862453041 QJYFSTLFTMGQMJ-SZNDQCEHSA-N 443.927 5.124 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccccc1 1862456627 WITUOFPJMIWODI-QFIPXVFZSA-N 445.481 6.043 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1F)c1c(F)cc(F)cc1F 1862457277 MGVDLFSGZGDNPH-OAQYLSRUSA-N 441.380 5.022 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1cccc(F)c1 1862458770 VIZUBTAGKOMSQM-CECALHEMSA-N 447.428 5.400 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(Cl)cc1 1862463720 KFXYGNZWYQRSCQ-LJQANCHMSA-N 437.845 5.382 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2c(F)cccc2Cl)ccc1F 1862505388 OGLWNYSUHDONIV-FQEVSTJZSA-N 431.866 5.448 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(C(C)C)cc2)cc1 1862534489 SDHNPFQCLGGVHY-SANMLTNESA-N 439.555 6.151 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(Cl)cc2Cl)cc1 1862539132 PFYQYJVTAKQIIM-NRFANRHFSA-N 444.358 6.077 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C2CCCCCC2)cc1 1862543686 MQXIVDZNIVSOQA-AREMUKBSSA-N 443.587 6.175 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccccc1Cl 1862595778 PUOFLBZJWDOULD-MMACOIQUSA-N 425.912 5.203 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(F)c2)cc1 1862615516 KGLZQKQLOJTWAY-JOCHJYFZSA-N 433.479 5.495 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CCCC2)c1 1862669573 ZIPZDSRXIDCQET-VWLOTQADSA-N 447.575 6.120 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(Cl)cc1Cl 1862706248 RJAXRDCFAMSJMR-CWTRNNRKSA-N 434.319 5.379 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(C(=O)O)cc1 1862727217 YSYNFJFYIXDQQL-QHCPKHFHSA-N 441.483 5.039 30 10 IKEE CCCCc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(F)cc3)C2=O)cc1 1862756511 UGQJESTXXYHSOM-UHFFFAOYSA-N 439.490 5.437 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccccc2Cl)C1=O 1863067820 CPANCCMDRHCCMR-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE Cc1cc(C2=C(Nc3ccc(Cl)cc3)C(=O)N(c3ccccc3C#N)C2=O)ccc1F 1863100229 CKDRIZLTBUHVQO-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(C)cc2)C(=O)N(CCCOC(C)C)C1=O 1863616724 BNTRAHRMFNSPMF-UHFFFAOYSA-N 442.644 5.620 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccco2)=C(c2ccc(F)c(C)c2)C1=O 1863791032 ZDWAYCBAFKSJDS-UHFFFAOYSA-N 440.559 5.738 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccccc2)=C(c2c[nH]c3ccccc23)C1=O 1863817163 BTMZQQJCLGWECP-UHFFFAOYSA-N 429.564 5.398 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(F)cc2)c(CN(CC)CCCC)cc1=O 1870410935 LTHCOWCLMFAYCK-UHFFFAOYSA-N 430.608 6.007 30 10 IKEE C=CCOc1cn(Cc2ccc(Cl)cc2)c(CNc2ccc(N3CCCC3)cc2)cc1=O 1870813542 PMTQVNDMJLECTM-UHFFFAOYSA-N 449.982 5.327 30 10 IKEE CCCCCCCOc1cn(CCCN(C)C)c(CNc2cccc(Cl)c2)cc1=O 1870837602 ONSDMTATCLHWSQ-UHFFFAOYSA-N 434.024 5.415 30 10 IKEE COc1ccc([C@@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2ccccc2)C4=O)cc1OC 1871353937 BQZBGZZULVZMGK-DPKCJYKSSA-N 443.499 5.233 30 10 IKEE O=C(CCCOc1ccccc1)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O 1871370784 ALICDKIIDLELIJ-HAHDFKILSA-N 434.875 5.721 30 10 IKEE C[C@@H]1C[C@@H](C)CN(Cc2c(O)ccc3c2O/C(=C\c2ccccc2OC(F)F)C3=O)C1 1871396685 REBUDMNXPJYNKG-KEBOPYBWSA-N 429.463 5.088 30 10 IKEE CCCCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1cn(CC)c3ccccc13)C2=O 1871400150 LBXYFAMDELZCTE-QRVIBDJDSA-N 433.504 5.308 30 10 IKEE Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccccc2)C3=O)c(C)c1 1871402445 IUZFXXYGINGFAK-ORQKMDSUSA-N 441.527 5.942 30 10 IKEE Cc1cccc(OCCCCOc2ccc3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)c1 1871403655 SEQBCOJMRKDUPB-XYGWBWBKSA-N 445.471 5.757 30 10 IKEE COc1cccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccccc4)cc(C)c3C2=O)c1 1871404239 KBICJWBTFPZVCY-NQRZERFFSA-N 429.472 5.026 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)c(C)c1 1871411451 NWVRVHGMFYSNTD-GHRPQRKGSA-N 447.918 5.979 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(C)cc1)C2=O 1871424617 PLDLAUFPPKOMEG-OYKKKHCWSA-N 441.527 5.808 30 10 IKEE COc1ccc(C)cc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccccc1F)C2=O 1871428530 GQHGGVKKOBWBNM-FMCGGJTJSA-N 447.462 5.085 30 10 IKEE COc1ccc(C)cc1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O 1871428579 JPXIEYACOABZOX-FMCGGJTJSA-N 449.890 5.291 30 10 IKEE CC(C)CCOC(=O)CCOc1ccc2c(c1)O/C(=C\c1ccccc1OC(F)F)C2=O 1871429484 PYDJPMRATPLCQO-BKUYFWCQSA-N 446.446 5.262 30 10 IKEE C=CCN=c1nc(Nc2ccc(-c3ccccc3C)cc2)[nH]c(N2C[C@@H](C)C[C@@H](C)C2)n1 1871639410 HGCWBIPVEUVOEW-KDURUIRLSA-N 428.584 5.093 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1cccs1 1871879514 OSKWZMUDPSUWQA-GOSISDBHSA-N 441.018 5.166 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 1872136342 HIJAJPBCAWOQLL-NRFANRHFSA-N 434.989 5.104 30 10 IKEE C=CCN([C@@H](C(=O)Nc1cccc(C(C)(C)C)c1)[C@H](C)CC)S(=O)(=O)c1cccs1 1872234240 JSUBPQJDJNGZJD-DYESRHJHSA-N 448.654 5.276 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 1872456314 GZQFOOAAGUPGAB-NRFANRHFSA-N 434.989 5.023 30 10 IKEE N#C[C@@H](C(=O)c1ccc(-n2cccc2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872762461 NHKDLMYKHBJTIL-SFHVURJKSA-N 438.339 6.398 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccco3)n2)cc1OCCC 1872767737 ZFFHUXADCSSDKY-SGQUHAKNSA-N 436.533 5.870 30 10 IKEE COc1ccc(OC)c(-c2csc([C@H](C#N)C(=O)c3ccc(-c4ccccc4)cc3)n2)c1 1872771469 VIWQWPSSGSPRGY-JOCHJYFZSA-N 440.524 5.984 30 10 IKEE COc1ccc(Cl)cc1C(=O)[C@@H](C#N)c1nc(-c2ccc(OC)c3ccccc23)cs1 1872788521 KBIGLMAJUVDYAY-LJQANCHMSA-N 448.931 6.124 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C(F)(F)F)c2)cc2c(N(CCC)CCC)ncnc21 1873665544 FYPGVHKDBXNGFK-UHFFFAOYSA-N 445.489 5.515 30 10 IKEE C=C(C)Cc1c(C)nn(CCC(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)c1C 1874184482 ICVUJJNOHYCJAL-UHFFFAOYSA-N 437.971 5.880 30 10 IKEE Cc1cc(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccc[nH]2)ccc1Cl 1874230293 CDUNECZKIDZABO-DHRITJCHSA-N 437.956 5.322 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CC23CC4CC(CC(C4)C2)C3)nnc1SCC 1874244088 NGZBGURAXMYINV-YZSQISJMSA-N 436.625 5.596 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CCc2ccc(OC)cc2)nnc1SCCC 1874307642 HKVHKCGHPYVHMV-XIEYBQDHSA-N 436.581 5.021 30 10 IKEE Cc1ccc(C)c(CSc2nnc(COc3ccc(C)c(C)c3)n2/N=C/c2ccco2)c1 1874320923 QLLGYXNATYTQJJ-VULFUBBASA-N 446.576 5.858 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3Cl)n2/N=C/c2ccccn2)cc1C 1874358588 PDJIWMRHAJKUOU-JFLMPSFJSA-N 447.995 5.709 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc(O)cc1 1874399931 XEPUZDWJDSLSQR-CIRUFVMISA-N 448.979 5.963 30 10 IKEE Clc1ccc(CSc2nnc(Cc3cccs3)n2/N=C/c2ccc[nH]2)cc1Cl 1874414390 PMMWNEVSPUSAAT-FOKLQQMPSA-N 448.404 5.740 30 10 IKEE COc1ccc(OC)c(/C=N/n2c(SCCc3ccccc3)nnc2-c2ccccc2)c1 1874428268 AJEAVOWDETWRMM-NLRVBDNBSA-N 444.560 5.179 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1cccnc1 1874440492 DLWGFRIKMWGDQU-WYMPLXKRSA-N 434.396 5.743 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C2CCCC2)cc1 1874454682 UODHMPFQVYDXMB-BUVRLJJBSA-N 435.553 5.581 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CCC2)c1OC 1874496718 AOLSNRIXYRRGLP-ZMOGYAJESA-N 442.972 5.391 30 10 IKEE CC(C)c1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1cn(C)c2ccccc12 1874514483 AEHUNFZUYVAJLS-OPEKNORGSA-N 441.963 5.860 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Br)ccc2OCc2cc(C)ccc2C)c(C)c1 1874578902 LYLCTSREQJNNOY-DHZHZOJOSA-N 449.388 7.158 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OC)c1OCC(=O)Nc1ccccc1C 1874580729 CXHDHEAATXIRGD-BUHFOSPRSA-N 445.515 5.234 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCc3c(F)cccc3Cl)c2)cc1Cl 1874600199 ZDWQAHQDWQOSTC-CSKARUKUSA-N 431.290 6.616 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(Cl)c1OCc1cccc(F)c1 1874609421 QHKZBALKMNFWFN-KPKJPENVSA-N 440.898 6.362 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OCC(=O)N[C@@H](C)c1ccccc1 1874618735 QJHUMMNBECCABE-OSJHKOOESA-N 443.543 5.464 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OCc2ccccc2)c(Cl)c1 1874624701 QSBPJLNCLCOHJV-JLHYYAGUSA-N 434.963 7.121 30 10 IKEE C=CCOc1c(OCC)cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc1[N+](=O)[O-] 1874627454 UGGAJXGSODQLPW-MDZDMXLPSA-N 439.508 5.895 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OCc1cc(C)ccc1C 1874633244 SNLRKEZEDBIPLQ-WYMLVPIESA-N 440.583 7.132 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2cccc([N+](=O)[O-])c2)c1)c1ccc2c(c1)CCCC2 1874693673 QQZFHMBGXXRTLS-SDNWHVSQSA-N 427.456 5.589 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCc3ccccc3OC)c2)cc1 1874703215 FGZZFGOJDJYNMJ-GZTJUZNOSA-N 444.527 5.918 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)[C@H](C)c3ccccc3)c2)c1 1874706455 IXRVQELYPAARGW-LVMGUKCRSA-N 446.499 5.318 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1cccc(/C=C/C(=O)c2ccc(C(C)C)cc2)c1 1874710293 UYCVWHBMBBXUQQ-LFIBNONCSA-N 430.500 5.943 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OC(=O)CCOc1ccccc1 1874713707 KSXJQROBOGRPSQ-JLHYYAGUSA-N 430.500 5.583 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(OCC)c(O)c([N+](=O)[O-])c2)cc1OCCC 1874719218 ONABDDPUASBNEP-VQHVLOKHSA-N 429.469 5.173 30 10 IKEE C=CCN(CC=C)CCC(=O)c1cccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)c1 1874722105 SJQDULFFCINJKM-UHFFFAOYSA-N 440.971 5.221 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(N(C)C)cc3)c(Cl)c2)cc1 1875100078 MQOVULDENODYTD-VIZOYTHASA-N 433.935 6.084 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(OC)c1OC(=O)CCCSC 1875104063 DSIIKBBIHKHUSK-OUKQBFOZSA-N 440.561 5.377 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc(F)c(F)c1 1875104983 XVVJDFKPGWKYSF-XCVCLJGOSA-N 433.237 6.387 30 10 IKEE O=C(COc1cc(F)ccc1F)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1 1875122950 POEKHMJDCQMHQP-KGVSQERTSA-N 428.818 5.499 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1cccc(C)c1 1875145868 XHMDPJHQEXFILN-ZRDIBKRKSA-N 430.500 5.826 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 1875156765 GYJMGGFQCZDRGU-NTUHNPAUSA-N 445.471 5.842 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)[C@@H]2CCCO2)c(Cl)c1 1875184378 VPFOIFMNYHWGJF-HDFUYHJRSA-N 426.940 5.926 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 1875184723 NHUNERVUCOXQEI-VZUCSPMQSA-N 445.471 5.644 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)CCOc2ccccc2)cc1 1875184923 XNHZOABVDCIKAY-GHRIWEEISA-N 442.555 6.563 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)CCOc2ccccc2)cc1 1875192103 UJNCGTPHFXXNDN-UKTHLTGXSA-N 436.891 5.619 30 10 IKEE C=C(Br)CSc1cc(I)ccc1Br 1887827955 NLEMVMZVDRWQTE-UHFFFAOYSA-N 433.934 5.054 30 10 IKEE C=CCNC(=O)c1nc(C(=O)Nc2ccc(-c3csc(-c4ccccc4)n3)cc2)cs1 1891735808 TYCHRCATZQHJKD-UHFFFAOYSA-N 446.557 5.102 30 10 IKEE CCCCc1ccc2nc(N(C)CC(=O)N3CCC(C#N)(c4ccccc4)CC3)sc2c1 1892357257 IZFJWVSMFJYDBY-UHFFFAOYSA-N 446.620 5.159 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]12CCCC[C@@H]1CN(C(=O)OC(C)(C)C)C2 1922095299 SKVYCKGMVFOPHI-ONBPZOJHSA-N 442.644 5.555 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(C(=O)OC(C)(C)C)[C@@H]3CCC[C@H]32)c1 1926541879 LKLRZMZQVPGMNZ-UMEGOILYSA-N 441.572 5.418 30 10 IKEE CC1(C)CC[C@H](Nc2ccc(Br)cc2C#N)[C@H](CNC(=O)OC(C)(C)C)C1 1927067898 FTOUTPOGWQVFDU-YJBOKZPZSA-N 436.394 5.452 30 10 IKEE Cc1cc(Br)c(F)c([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)c1 1927537434 FZWZXWVQMHOZKF-GOSISDBHSA-N 439.369 6.421 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1944695986 VUKBNCDPWGVUEI-UYAOXDASSA-N 429.561 5.276 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@](C#N)(CN(C)C(=O)OC(C)(C)C)C(C)(C)C)c1 2032011645 CIFYEVCYALGULC-RUZDIDTESA-N 445.604 5.912 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Br)c1Cl)NC 2047974577 XCRKCDQKAWBAJL-HOTGVXAUSA-N 431.802 5.093 30 10 IKEE C=CCN1C(=O)NC(=N)[C@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071356675 PSENBCSDXICNSK-XMMPIXPASA-N 427.504 5.074 30 10 IKEE CC1([C@@H](c2ccc(C3CC3)cc2)n2nc(C(F)(F)F)c(/C=N/O)c2Br)CC1 2079081379 SYLAYWPWGCHDME-ACAPYZNFSA-N 442.279 5.739 30 10 IKEE CC(C)c1nn([C@H](c2ccc(C3CCC3)cc2)C(C)C)c(I)c1C#N 2079929498 VNTGHOCGKNBMAK-FQEVSTJZSA-N 447.364 5.996 30 10 IKEE CCOc1ccc(C(F)(F)F)cc1-n1nc(-c2ccccc2)c(C#N)c1Br 2080353419 SEGCMOOUUAMMBP-UHFFFAOYSA-N 436.231 5.591 30 10 IKEE CCCCCCCC[C@@H](O)c1ccc(Br)cc1I 2086144834 FKVCPJZLLKVQCJ-OAHLLOKOSA-N 425.148 5.838 30 10 IKEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Cl)c(Br)c1F 2097184796 VYAJPASPMDHWBF-RHSMWYFYSA-N 447.776 5.199 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@H](C#N)c1c(F)cc(Br)cc1F 2114281962 VCRBAVNYCDYPBR-INIZCTEOSA-N 429.305 5.862 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1cnn(C(F)F)c1 2120857216 ZDQNBEYRTVBZSA-CQSZACIVSA-N 427.249 5.047 30 10 IKEE Cc1cc(F)c([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2C)c(Br)c1 2173404693 JEFNQVCFRNEJCD-SFHVURJKSA-N 433.321 6.211 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCN(c2ccc(C#N)cc2Br)c2ccccc21 2174810961 RXTGXBJKRYCESD-KRWDZBQOSA-N 428.330 5.428 30 10 IKEE C=CCN(CC(=C)Br)C(=O)CC[C@@H](CCNC(=O)OC(C)(C)C)C(C)(C)C 2180917116 RMFLNIKZCZCFCA-KRWDZBQOSA-N 445.442 5.267 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](Cc2ccc(F)c(Br)c2)NCCC)C1 2197758135 ZXWHGANYGNEHPH-SFHVURJKSA-N 441.385 5.112 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)[C@@H]1C[C@@H]1C1CCOCC1 2200300916 YNUSDLDFJMFZHR-GUDVDZBRSA-N 435.362 5.145 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Cl)c(Cl)cc1Cl 2201288675 LUVYVEOMAZTCKF-MSOLQXFVSA-N 433.807 5.994 30 10 IKEE Cc1sc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)c(C)c1Br 2226504527 XQHWFZKQIILRFG-HNNXBMFYSA-N 439.350 6.273 30 10 IKEE C=CCC[C@@H](C)[C@@H](NC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229139387 ZIAOYJXVLJDOAK-ATZDWAIDSA-N 425.411 5.075 30 10 IKEE COc1cccc(C#CC(=O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)c1 2237846058 FEWSIISUDZOWJD-UHFFFAOYSA-N 448.518 6.088 30 10 IKEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N(Cc1ccccc1)Cc1ccccc1 2241490175 LRXMZIYFWCEDPM-UHFFFAOYSA-N 447.409 5.198 30 10 IKEE C#C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C 2243924660 JWWXWHBQDBMGGF-DQEYMECFSA-N 446.591 5.104 30 10 IKEE N#Cc1cccc(Br)c1Nc1cc(I)ccc1Cl 2257482919 YOUQYYFRORCELY-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCC(=O)O)c1ccc(Cl)c(Br)c1 2261820977 PWITYODRKIUYDN-IBGZPJMESA-N 425.706 5.018 30 10 IKEE C[C@H](N(Cc1ccccc1)C(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2267409549 WADJRWFVMWDVFJ-SFHVURJKSA-N 439.380 5.202 30 10 IKEE CCCCCCCO[C@](C)(C(=O)O)c1cc(Br)c(Br)s1 2281195185 NHZSLDKHJOXNBB-AWEZNQCLSA-N 428.186 5.560 30 10 IKEE Cc1ccsc1C=C1SC(=Nc2ccccc2)N(Cc2ccc(C(=O)O)cc2)C1=O 2294143962 XLZSHPBJWPABFW-UHFFFAOYSA-N 434.542 5.559 30 10 IKEE CCc1ccc(-c2nc(C)c(C(=O)C=C3NCCc4cc5c(cc43)OCCCO5)s2)cc1 2296233712 GZJLRCIXDCZGMY-UHFFFAOYSA-N 446.572 5.212 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]([C@H](C)CC)N(C)C(=O)OC(C)(C)C 2296289321 QJXOOKIQQAEGNF-AHRSYUTCSA-N 437.422 5.060 30 10 IKEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(C)cc2)cc1 2297056803 YZYOGDQIWSWHSP-NRFANRHFSA-N 448.544 5.093 30 10 IKEE C=CCN1C(=O)C(=Cc2cccc(OCCCOc3ccccc3Cl)c2)SC1=S 2297347338 OOTZKPQJCFBXAU-UHFFFAOYSA-N 445.993 5.575 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1cccc(Cl)c1Cl)C2=O)c1ccccc1F 2314437427 MBLIVZNEMSVJCR-UHFFFAOYSA-N 429.230 5.968 30 10 IKEE COc1cccc(COc2ccc3c(c2)OC(=Cc2ccc(-c4ccccc4)cc2)C3=O)c1 2314437530 ORDDHOFYYWKOHC-UHFFFAOYSA-N 434.491 6.557 30 10 IKEE NCCO[C@@H](C#CC1CC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2315818836 IFELWGKWHDOAHC-SANMLTNESA-N 427.544 5.274 30 10 IKEE COc1ccc([C@@H](C)N2COc3ccc4c(c3C2)OC(=Cc2ccccc2C)C4=O)cc1 2322239873 PNXHSCLSOIQUQS-GOSISDBHSA-N 427.500 5.533 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(C)c(C)c1 2322484071 MPMNHOFHZKFWCD-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCc2ccc(F)cc2)cc1 2322552838 CRCQVAVXOJZKNV-UHFFFAOYSA-N 440.898 6.362 30 10 IKEE Cc1ccccc1C(=O)Oc1cc(C)c2c(c1)OC(=Cc1ccc(Br)cc1)C2=O 2322681260 KXPLCQPUAHTSPG-UHFFFAOYSA-N 449.300 5.901 30 10 IKEE CCCN(CCC)C(=O)COc1ccccc1C=CC(=O)c1cc(C(C)(C)C)ccc1C 2322952917 GUXUSFZAKWOAIN-UHFFFAOYSA-N 435.608 6.216 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1OCc1ccccc1Cl 2323049370 DBCZVCDCPZJUMC-UHFFFAOYSA-N 432.947 6.703 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc3ccccc23)c(Cl)c1)c1ccc2ccccc2c1 2323396326 XHEHYWXWNJFNBJ-UHFFFAOYSA-N 448.949 8.122 30 10 IKEE O=C(Cc1cc(Cl)ccc1Cl)Oc1ccc2c(c1)OC(=Cc1cccs1)C2=O 2323404030 MHVKQZSTCGDCBW-UHFFFAOYSA-N 431.296 5.819 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(OC(=O)c3cccc4ccccc34)c2C)C1=O 2323481642 MATRZRQCYRMAHO-UHFFFAOYSA-N 426.493 6.354 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc(F)c2)c(Cl)c1)c1ccc(Cl)cc1Cl 2323512461 SCTYKMFPNLQILD-UHFFFAOYSA-N 435.709 7.261 30 10 IKEE COC(=O)c1sc(NN=Cc2ccc(OC(C)C)c(Cl)c2)nc1-c1ccccc1 2323865578 VDUUWGUJJWJRNX-UHFFFAOYSA-N 429.929 5.483 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(O[C@H](C)C(=O)Nc4ccc(F)cc4)c3C)C2=O)c1 2324319912 YWPLUKIAPDZRLW-MRXNPFEDSA-N 447.462 5.165 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(O[C@H](C)C(=O)Nc3ccccc3)cc(C)c2C1=O 2324405800 BGVFSCCOJDUZJM-GOSISDBHSA-N 443.499 5.416 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(Cl)cc3Cl)n2)cc1 2324429942 BRBNKFYRRXWOSF-KRWDZBQOSA-N 429.328 6.015 30 10 IKEE Cc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2cccc(Cl)c2)cc1 2325467553 FWUGSWLJQULXMS-UHFFFAOYSA-N 447.007 6.200 30 10 IKEE C=C(C)CN(Cc1ccccc1)C1(C(=O)O)CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 2325500043 YRYJTSXBLUIERA-UHFFFAOYSA-N 442.600 5.089 30 10 IKEE CCCOc1c(C=Nn2c(C)nnc2SCc2ccc(Cl)cc2)cccc1OC 2325631735 QPONVTNDFYGAHA-UHFFFAOYSA-N 430.961 5.212 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)c1 2325721481 KIFLHMQBKYXDLU-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1OC(=O)Cc1cc(C)ccc1C 2325724798 BOZADJAUIMQPBA-UHFFFAOYSA-N 436.454 5.634 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cccc(OC(=O)c3ccc(Br)cc3)c2)c1 2325740795 JLSUFIDUHFVMRP-UHFFFAOYSA-N 435.317 6.181 30 10 IKEE O=C(CCCOc1ccccc1)Oc1cccc(C=CC(=O)c2ccc3c(c2)OCCO3)c1 2325745494 BRQDQYLTCLESKL-UHFFFAOYSA-N 444.483 5.119 30 10 IKEE CCc1ccc(C(=O)Oc2cc(C=CC(=O)c3ccc(OC)cc3OC)ccc2OC)cc1 2325760965 RDDAKEKIVSNRTQ-UHFFFAOYSA-N 446.499 5.390 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OC(=O)Cc1ccc(F)cc1 2325764172 ZLDRCEBKUPVTDE-UHFFFAOYSA-N 432.491 5.804 30 10 IKEE CCOc1ccc(C(=O)Oc2cccc(C=CC(=O)c3cc(C)c(OC)cc3C)c2)cc1 2325770938 LCMGMKQSICJAFJ-UHFFFAOYSA-N 430.500 5.826 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1OC(=O)c1ccc(C)cc1 2325771614 WPCYSDOZYAKVSG-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE C=CCSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1sccc1C 2325952335 XXUYKBCUDWYPTD-UHFFFAOYSA-N 433.400 5.162 30 10 IKEE Cc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1cc(Cl)c(O)c(Cl)c1 2326323617 FENVGKHIZPJVKR-UHFFFAOYSA-N 449.407 6.071 30 10 IKEE C=C(C)CSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1cccc(C)c1 2326388703 JKJUMEKSXAMBKY-UHFFFAOYSA-N 434.609 5.765 30 10 IKEE Cc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccccc1COc1ccccc1 2326467498 FIBSHVKUMIUMRG-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccccc1OCC 2326552426 ADDHLSZHJOEOIV-UHFFFAOYSA-N 428.989 5.847 30 10 IKEE Cc1cccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccc(C#N)cc2)c1 2326684195 WCNVQJNHSXQAMW-UHFFFAOYSA-N 437.572 5.418 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2ccccc2)n1N=Cc1ccncc1 2328557161 BTIGTSCEMBWMBJ-UHFFFAOYSA-N 429.549 5.043 30 10 IKEE CCCSc1nnc(COc2ccc(C)cc2C)n1N=Cc1cc(Cl)ccc1O 2328906038 ZLMJVWBUJXHOSQ-UHFFFAOYSA-N 430.961 5.217 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3C)n2N=Cc2sccc2C)c1 2329476603 LBVUQRBTNANQQL-UHFFFAOYSA-N 446.645 6.225 30 10 IKEE C=CCSc1nnc(CCc2cccs2)n1N=Cc1ccc(OCC)c(OCC)c1 2329674022 YOWDIFSIDOETJE-UHFFFAOYSA-N 442.610 5.083 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3F)n2N=Cc2ccccc2O)c1 2329745691 FSHPINCWAZGQDK-UHFFFAOYSA-N 446.551 5.505 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2cccc3ccccc23)n1N=Cc1ccncc1 2330124357 WIKBGPVKWIYRRY-HXUWFJFHSA-N 449.583 6.153 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)C(C)(C)C)c(OC)c2)cc1 2330824336 LRXVZYNSDJPJNT-UHFFFAOYSA-N 428.956 6.539 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)cc3)c(OC)c2)cc1 2330846577 NXJIFXSHKZUUBK-UHFFFAOYSA-N 448.946 6.807 30 10 IKEE COc1cc(C=Nn2c(CC(C)(C)C)nnc2SCc2cccc(Cl)c2)ccc1O 2330873316 QUVMEUZARNAYOY-UHFFFAOYSA-N 444.988 5.409 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2)cc1 2331138391 BEVLIWBXHARXFU-UHFFFAOYSA-N 434.919 6.309 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1cccc(Cl)c1 2331154747 ULDXSTCRNXPWNA-UHFFFAOYSA-N 441.310 6.507 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3cccc(C)c3C)cc2)cc1 2331189559 XZTUBHZMQCIFKW-UHFFFAOYSA-N 430.500 5.583 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3-c3ccccc3)cc2)c(C)c1 2331216208 BGXUMOOLXBIXDZ-UHFFFAOYSA-N 432.519 7.086 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)CCCOc1ccccc1 2331330052 OLGVENCXULYPQK-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE CCc1ccc(C=Nn2c(SCC(=O)Nc3ccc(CC)cc3)nnc2C(C)(C)C)cc1 2331377009 WCHXIOZJQXTJET-UHFFFAOYSA-N 449.624 5.313 30 10 IKEE C[C@H](Oc1ccc(Cl)cc1)C(=O)Oc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1 2331554939 SMYVPESDTKFPTF-HNNXBMFYSA-N 442.845 5.887 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3sccc3C)c(OC)c2)c(OC)c1 2331729046 KMNOZMGIFFVGLM-UHFFFAOYSA-N 438.501 5.198 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1cnc(C)cn1 2331779604 HLCNDDDPXOMJRP-UHFFFAOYSA-N 430.504 5.224 30 10 IKEE Cc1cccc(NC(=O)N(Cc2ccccc2)CC2CCC2)c1B1OC(C)(C)C(C)(C)O1 2352774722 CTGYDDFEPSXGKS-UHFFFAOYSA-N 434.389 5.128 30 10 IKEE C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/CCCC(C)(C)O)C[C@@H](O)C[C@@H]1O 3914130 ZSRZLHUUFCGCDW-QYFQUPAWSA-N 442.684 6.261 30 10 IKEE CCc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 9597321 HQBKRZPRWVGCDG-NRFANRHFSA-N 431.967 6.493 30 10 IKEE CCc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(OC(C)C)c(OC)c2)cc1 21233387 GVJGURVCOILTGX-NHCUHLMSSA-N 433.548 5.049 30 10 IKEE C=CCn1c(S[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)nnc1-c1ccc(Cl)cc1 21729285 UBOFLKKDADAZDO-CVEARBPZSA-N 438.984 5.243 30 10 IKEE CCOC(=O)c1ccc2c(c1)nc(SCc1ccc(C#N)cc1)n2Cc1ccccc1 23457209 OEXSCLCFWBDPLB-UHFFFAOYSA-N 427.529 5.425 30 10 IKEE CCn1nc(C)c(CN/C(=N/C(=O)c2ccc(C)c(C)c2)Nc2cccc(SC)c2)c1C 32971773 CWADUWQGKNNNOT-UHFFFAOYSA-N 449.624 5.257 30 10 IKEE C=CCOc1ccc([C@@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2CCCCC)cc1 38705216 HVRYVLGITORQGY-AREMUKBSSA-N 445.563 5.699 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCc4cc(C)ccc4C)cc(C)c3C2=O)cc1OC 41433585 ORTTWVGDACBATD-MXAYSNPKSA-N 430.500 5.824 30 10 IKEE CCCCCCCC(=O)Nc1ccccc1[C@H]1SCC(=O)N1c1ccccc1OC 98021303 LGSJAVJNBHTZMX-XMMPIXPASA-N 426.582 5.773 30 10 IKEE Cc1cccc(N2C(=O)/C(=C3/Sc4ccccc4N3C)S/C2=N/Cc2ccccc2)c1 100267091 MICJGFDZXCOTBN-QPRJYHLLSA-N 443.597 6.042 30 10 IKEE CCCCCCCOc1c(Cl)cc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1Cl 101138389 WVRQBOGSZKEPNN-UHFFFAOYSA-N 444.786 7.257 30 10 IKEE O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccccc2Cl)/C1=C(/O)c1ccc(Cl)cc1 103104611 RWZHOZJUQOQWQP-LCPUNJGISA-N 439.298 5.010 30 10 IKEE C=CCn1c(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)c(C)c2cc(C(C)C)ccc21 169870201 YFKJUEPGCOFYNR-QHCPKHFHSA-N 443.547 5.166 30 10 IKEE Cc1ccc(COc2ccccc2/C=N\n2c(S)nnc2CCc2ccccc2)cc1 169911226 NQGCPLGPQPBMJL-ONUIUJJFSA-N 428.561 5.122 30 10 IKEE CCN1C(=S)N[C@@H](c2ccc(Oc3cccc(C)c3)cc2)C(C(=O)c2ccccc2)=C1C 169931992 DFOOIBIOMWYUHW-VWLOTQADSA-N 442.584 6.195 30 10 IKEE CCCCCCCOc1ccccc1/C=N\Nc1nc(-c2c(C)cc(C)cc2C)cs1 169941922 UGSGWGPPUMKLOR-PKAZHMFMSA-N 435.637 7.531 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(C)c(C)c2)=C(O)C(=O)N1c1ccc(C)c(C)c1 169943128 UZJSRAKXLHWMFI-RUZDIDTESA-N 441.527 5.712 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccc(O)cc2)cc1C 169960090 BGKCBXFYSWJKRG-XMMPIXPASA-N 427.500 5.409 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(O)c(OCC)c1 169974378 HLNHXLCULICIMV-QHCPKHFHSA-N 437.536 5.122 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2cccs2)cc1 169985490 OQHPRLZVCKVIIJ-IBGZPJMESA-N 425.893 5.193 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccccn2)cc1Cl 169996624 NEOXTCISXVCIJA-HSZRJFAPSA-N 432.907 5.145 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@@H]2c2ccncc2)cc1 170018202 BWFWEOBYUBKUQX-OAQYLSRUSA-N 436.870 5.219 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2cccc(C)c2)c1 170036107 MRCUTVVYNJIULL-OAQYLSRUSA-N 448.544 5.250 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccccc2)cc1 170048836 FJNCRZOXHOUPCE-VWLOTQADSA-N 437.495 6.339 30 10 IKEE COc1ccccc1C1=C(Sc2ccc(Cl)cc2)C(=O)N(c2ccc(C#N)cc2)C1=O 170062918 DGMUNLHYWBPMAB-UHFFFAOYSA-N 446.915 5.297 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2c[nH]c3ccccc23)cc1 170075037 NQUDLXRMKYGZCZ-VWLOTQADSA-N 447.494 5.741 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1cccc(O)c1 170081538 SGLYHACSFUVLDY-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cc(OC)ccc3Cl)=C(O)C(=O)N2c2ccccc2)c1 170118091 QRMRNUFFOMSLOF-QFIPXVFZSA-N 449.890 5.140 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(C)c2)cc1C 170144029 SUJDPWUINZEMQV-DEOSSOPVSA-N 445.515 5.464 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2cccs2)c1 170158456 VXVHSHSEENVUCN-HSZRJFAPSA-N 447.556 5.935 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2cccs2)cc1C 170158522 HXKHOZXTRFXAEW-HSZRJFAPSA-N 447.556 5.855 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccncc1)c1ccc2ccccc2c1 170212557 XWWILKGKFWOTTQ-DEOSSOPVSA-N 438.458 5.152 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(Cl)cc1 170235687 KSXGRLSWEUXIOI-JOCHJYFZSA-N 435.907 5.108 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(F)cc2)cc1 170238301 HYDZOABETFKQLE-HSZRJFAPSA-N 449.453 5.535 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(O)c2)cc1 170264336 JEYRELZFOJOBAO-DEOSSOPVSA-N 449.547 5.482 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccco2)cc1C 170281165 CWSJIDPLWNQOOQ-DEOSSOPVSA-N 445.515 5.811 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2ccc(F)cc2)o1 170299734 IFQQSOTXKJFKKL-JOCHJYFZSA-N 435.451 5.297 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(OC(F)(F)F)cc2)[C@@H]1c1ccccc1)c1cccs1 170371059 OCSUTMAELFIFAL-GOSISDBHSA-N 445.418 5.430 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2c[nH]c3ccccc23)cc1 170383570 AWAJCFXSZQRRAP-QHCPKHFHSA-N 426.472 5.667 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1cccc(Oc2ccccc2)c1 170455808 RRGNWTLSLBJMTO-RUZDIDTESA-N 445.490 6.133 30 10 IKEE CCCOc1ccccc1N1C(=O)C(O)=C(C(=O)CC(C)C)[C@H]1c1ccc(C(C)(C)C)cc1 170469829 JVJUKSBTERFYEH-RUZDIDTESA-N 449.591 6.288 30 10 IKEE O=C1/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC(=Nc2ccccc2)N1c1ccccc1 254490722 DWAQYJZMXFBFCW-AIMMPNMZSA-N 440.499 6.894 30 10 IKEE O=c1c2ccccc2nc(-c2ccccc2)n1N=C/C(Br)=C\c1ccccc1 254499052 HGYLTINOWWQHLB-QRTLVPOMSA-N 430.305 5.333 30 10 IKEE Cc1ccc(C(=NNS(=O)(=O)c2ccc(C)cc2)c2ccc(OCC(C)C)cc2)cc1 254825626 LXNUEWGSFQGOHC-UHFFFAOYSA-N 436.577 5.069 30 10 IKEE C=CCON=C(CCC)C1C(=NOCC)CC(C[C@@H](C)SCC)CC1=NOCC 254871050 MSKXSYDVWIKAML-PDDLGQBUSA-N 425.639 5.688 30 10 IKEE CCCCCCCCCCCCOc1ccc(N=Cc2ccc(OCC(=O)O)cc2)cc1 254892544 ZCSUOODNNQGTPX-UHFFFAOYSA-N 439.596 7.200 30 10 IKEE C[C@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)Nc1ccc(C#N)cc1Br 312143029 RGMOHNWLUSBDER-WBVHZDCISA-N 436.394 5.691 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(OC)cc2)c1 526515537 JCNRVBHCKDTQAZ-XMMPIXPASA-N 426.472 5.023 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(C)o2)cc1OC 526605499 QVCBKJWMPGTHPA-DEOSSOPVSA-N 444.487 5.314 30 10 IKEE COc1cc(OC)cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)c1 526772723 KXAGQHJYSDVDNT-JOCHJYFZSA-N 449.890 5.140 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(NC(=O)N[C@H]3CCCC[C@@H]3C)CC2)c1 586102976 ZHGHHUWWEODCMD-CVDCTZTESA-N 440.632 5.007 30 10 IKEE C=CC[C@@H](C)SCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 715731795 ASECYJFRNOOAGJ-OPAMFIHVSA-N 425.550 5.066 30 10 IKEE CN1C(=O)C[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)SC1=Nc1cccc(Cl)c1 725385686 PYFCTNRXJNGSJC-OAHLLOKOSA-N 442.755 5.237 30 10 IKEE Cc1ccccc1CSc1n[nH]c(NN=Cc2ccc(OCc3ccc(F)cc3)o2)n1 1084117766 OUEABOVEYRLZGN-UHFFFAOYSA-N 437.500 5.163 30 10 IKEE CC(=NOCc1c(Cl)cccc1Cl)c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1 1088718463 VRXSQFFFXKSBHC-UHFFFAOYSA-N 448.331 6.389 30 10 IKEE N#Cc1ccccc1NC(=O)Oc1cccc2c(NC(=O)COc3ccccc3)cccc12 1858772669 VGNSZNHUURWVLS-UHFFFAOYSA-N 437.455 5.340 30 10 IKEE CCCCCCCCCCNc1cc(N2CCN(CC)CC2)nc(-c2cccc(C)c2)n1 1859793066 WPDPUKUZLYKIKI-UHFFFAOYSA-N 437.676 6.147 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1OC 1861350652 OHXSSTIYEUKPDI-XMMPIXPASA-N 438.612 5.293 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@H]2c2ccc(C)cc2)cc1 1862389799 NXGWCYDVJWVVNU-VWLOTQADSA-N 448.607 5.258 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(F)c2)cc1 1862391089 SEJDFUPLXIGTAF-XMMPIXPASA-N 444.506 5.342 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc(O)c1 1862430379 JEFVRNZLMDZTSO-NYHFZMIOSA-N 433.891 5.385 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(Cl)cc1 1862432625 JAVZZMCOTCDJHR-YFZFPPMRSA-N 444.358 6.150 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(Br)c1 1862453195 UHTJOGSSJOSLKE-QGZVFWFLSA-N 434.717 5.089 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C)cc2)cc1 1862475154 FKHVZRFEHIDSKV-IBVKSMDESA-N 439.555 6.205 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(F)cc1F 1862476708 DIAQRCSRSHPXEZ-HSZRJFAPSA-N 449.453 5.060 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 1862481305 BMKAINQQVOFEIH-OAQYLSRUSA-N 446.374 6.460 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccccc2Cl)cc1 1862516205 JHFQJOSKNITQMV-OAQYLSRUSA-N 427.928 5.363 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C2CCCCC2)cc1 1862616793 FPYVWEDOMJDBAE-XMMPIXPASA-N 447.575 5.904 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C2CCCCCC2)cc1 1862649278 UTQFDBROPQZCPA-AREMUKBSSA-N 439.555 6.449 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1c(Cl)cccc1Cl 1862690304 MBKVFWDOQLUUQK-CWTRNNRKSA-N 434.319 5.379 30 10 IKEE CCOc1ccccc1NC1=C(c2ccccc2Cl)C(=O)N(c2cccc(C#N)c2)C1=O 1863076743 YDZNVKRYAGTEGE-UHFFFAOYSA-N 443.890 5.007 30 10 IKEE CSc1cccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(F)c(C)c3)C2=O)c1 1863098448 YIKJHDIBSOZTHS-UHFFFAOYSA-N 443.503 5.124 30 10 IKEE N#Cc1cccc(NC2=C(c3cccc4ccccc34)C(=O)N(C3CCCCCCC3)C2=O)c1 1863225313 BPQFYQXJAULERW-UHFFFAOYSA-N 449.554 6.016 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2cc(C)ccc2C)C1=O 1863402460 XPDIGLANQDRILS-JOCHJYFZSA-N 429.564 5.726 30 10 IKEE C=CCNC1=C(c2cc(Cl)ccc2Cl)C(=O)N([C@H](C)c2ccc(CC)cc2)C1=O 1863733342 FIOIEZKBGDSYCL-CQSZACIVSA-N 429.347 5.173 30 10 IKEE CC(C)[C@H](C(=O)NC(C)(C)C(=O)Nc1ccccc1C#N)c1ccc(Cl)c(Cl)c1 1866988709 MXMCQSKFMFKQOU-IBGZPJMESA-N 432.351 5.138 30 10 IKEE CC[C@](C)(NC(=O)c1ccc(-c2cc3ccccc3[nH]2)cc1)C(=O)Nc1ccccc1C#N 1867063819 LNTOHLSMZSOKAW-MHZLTWQESA-N 436.515 5.244 30 10 IKEE CCCc1nc(Nc2ccc(C#N)cc2)cc(N2CCc3cc(C)ccc3[C@H]2CC(C)C)n1 1868400907 JAXRFZDGRUVKHH-RUZDIDTESA-N 439.607 6.503 30 10 IKEE C#CCOc1cn(CCC2=CCCCC2)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870302233 IYTYHMMUBGFEBU-UHFFFAOYSA-N 447.604 5.235 30 10 IKEE CCCCCCCCn1cc(OCCCC(=O)OCC)c(=O)cc1CN(C)CCCC 1870368800 YAFVETNMTXRBDY-UHFFFAOYSA-N 436.637 5.163 30 10 IKEE C=CCOc1cn(CCC2=CCCCC2)c(CNc2ccc(OC(F)(F)F)cc2)cc1=O 1870813700 XEEZPEMRTUZZFE-UHFFFAOYSA-N 448.485 5.814 30 10 IKEE CCCCCCCOc1cn(CCC)c(CNc2ccc(N(CC)CC)cc2)cc1=O 1870832532 YAQQUQNXEMVVFH-UHFFFAOYSA-N 427.633 6.066 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(F)cc2)c(CNc2cccc(C)c2)cc1=O 1870833202 CQYRNJKGUWIPOM-UHFFFAOYSA-N 436.571 6.305 30 10 IKEE CCCCCCCCCCn1cc(OC)c(=O)cc1CNc1cc(Cl)cc(Cl)c1 1870997859 DMYYDFPDCHAVKZ-UHFFFAOYSA-N 439.427 6.917 30 10 IKEE C#CCOc1cn(CCCCC)c(CNc2ccc(OCc3ccccc3)cc2)cc1=O 1871008323 QQLDJEXDZFWULL-UHFFFAOYSA-N 430.548 5.242 30 10 IKEE CCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CNc1cc(C)ccc1C 1871257972 KPFGTFQCUCSXNT-UHFFFAOYSA-N 426.645 6.863 30 10 IKEE CCCCCCCCN=c1[nH]c(Nc2ccc(N3CCCCC3)cc2)ncc1[N+](=O)[O-] 1871307194 GOFHHTCZHUBEJB-UHFFFAOYSA-N 426.565 5.313 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN(CCc2ccccc2)C3)C1=O 1871348649 ANGVNJZTOROGPG-XYGWBWBKSA-N 441.527 5.405 30 10 IKEE Cc1cc(OC(=O)c2cccc(Oc3ccccc3)c2)cc2c1C(=O)/C(=C/c1ccccn1)O2 1871379249 NJYHLDXRUVWOJD-XYGWBWBKSA-N 449.462 6.018 30 10 IKEE Cc1c(OC(=O)c2cc(Cl)ccc2Cl)ccc2c1O/C(=C\c1cccc(F)c1)C2=O 1871381630 ZKXHJBGCUGCBMQ-JMIUGGIZSA-N 443.257 6.276 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)c(C)c1 1871411452 NWVRVHGMFYSNTD-ZKDCOOFMSA-N 447.918 5.979 30 10 IKEE CC(=O)Nc1ccc(C(=O)COc2ccc3c(c2C)O/C(=C\c2sccc2C)C3=O)cc1 1871432266 AUZZJGOLGYBXOF-UUYOSTAYSA-N 447.512 5.201 30 10 IKEE Cc1ccccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O 1871453633 JJTPIWWSELOEML-UUYOSTAYSA-N 433.891 5.591 30 10 IKEE NC1=C(c2nc(-c3ccccc3)c(-c3ccccc3)s2)C(=O)CN1c1ccc(F)cc1F 1872726081 JFYQWDXFIHKADK-UHFFFAOYSA-N 445.494 5.472 30 10 IKEE C[C@H](c1ccccc1)N1C[C@H](C(=O)[C@H](C#N)c2nc(-c3ccccc3Cl)cs2)CC1=O 1872764238 IFDFNWHYPOGGGP-SUMDDJOVSA-N 449.963 5.249 30 10 IKEE CCc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)cc1 1872774774 BLXAAPNFSPDWTR-LJQANCHMSA-N 438.524 5.556 30 10 IKEE N#C[C@@H](C(=O)c1cc([N+](=O)[O-])ccc1Cl)c1nc(-c2cccc3ccccc23)cs1 1872775356 ONDIGYRBOYKDQL-SFHVURJKSA-N 433.876 6.015 30 10 IKEE COc1c(Cl)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)Cc2cc(C)ccc2C)n1 1872778408 KPLJOANCTRFICW-QGZVFWFLSA-N 445.371 6.161 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@H](C#N)C(=O)[C@@H](C)Oc2ccccc2C(C)C)n1 1872780282 DWFNLJZFOSQPLP-WIYYLYMNSA-N 448.588 6.203 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1C 1872783179 UFXDIPLHROJYQW-OAQYLSRUSA-N 445.588 5.331 30 10 IKEE CCCOc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3OC)cs2)cc1 1872784019 NQOMJXVFVMRPQU-HXUWFJFHSA-N 436.533 5.035 30 10 IKEE COc1ccc(/C=N/Nc2oc([C@@H]3C[C@@H]3c3ccccc3)nc2C#N)cc1Br 1873471043 VDWGDEHUZKLPGV-JNAJZTCGSA-N 437.297 5.034 30 10 IKEE C=CCN(CC=C)c1nc(Nc2ccc(OC)c(Cl)c2)c2cnn(-c3ccccc3)c2n1 1873481540 CWDTWRZTKHKJNB-UHFFFAOYSA-N 446.942 5.400 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(CCCC)cc2)cc2c(NCCCOCC)ncnc21 1873605338 VWRYKUQNPSOYLB-UHFFFAOYSA-N 435.572 5.051 30 10 IKEE CCCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccc(CC)cc1 1874214155 YSNIUCPUGLESRF-KOEQRZSOSA-N 443.016 5.890 30 10 IKEE CCCSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1cn(C)c2ccccc12 1874259386 WRTOZJZTEFRQNU-WGOQTCKBSA-N 447.608 5.686 30 10 IKEE CSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874262719 NEAUMRHTDQBOMQ-ZVBGSRNCSA-N 427.744 5.421 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2Cl)cc1 1874388909 AOEPZMFRGVMDFS-WGOQTCKBSA-N 432.980 6.005 30 10 IKEE Cc1cccc(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2cn(C)c3ccccc23)c1 1874448062 RVPILXKXJWDAEP-PWYGXMRTSA-N 431.565 5.104 30 10 IKEE Cc1ccccc1CSc1nnc(C2CCCC2)n1/N=C/c1c(F)cccc1Cl 1874452043 ANRWNRCPKBOGGZ-DHRITJCHSA-N 428.964 6.211 30 10 IKEE CCCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1cccc(F)c1 1874478963 AYYDVHFSPGJIKD-WYMPLXKRSA-N 437.371 6.241 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2cccc3ccccc23)nnc1C(C)C 1874514800 HNEMNQPKRHNPRF-WPWMEQJKSA-N 444.604 6.518 30 10 IKEE Clc1cccc(Cl)c1/C=N/n1cnnc1SCc1c(Cl)cccc1Cl 1874538855 APUCONMILAODRE-QPJQQBGISA-N 432.163 6.066 30 10 IKEE Fc1ccccc1COc1ccc(/C=N/n2c(S)nnc2CCc2cccs2)cc1 1874561773 JGDSFUJQFVAOEX-ZVHZXABRSA-N 438.553 5.014 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Br)ccc2OCc2cccc(F)c2)cc1 1874573164 YTNLJQYCZLJZTC-ZRDIBKRKSA-N 439.324 6.626 30 10 IKEE Cc1ccc(NC(=O)COc2ccccc2/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1C 1874586798 FPXQHVWSGSRAQV-WYMLVPIESA-N 441.571 6.451 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccccc2Cl)c1C 1874587113 WBQIBPYCOFSOFI-PKNBQFBNSA-N 439.382 7.702 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2c(Cl)cccc2Cl)cc1C 1874588237 XJPQJQVLLPGLTK-CSKARUKUSA-N 445.773 7.739 30 10 IKEE Cc1ccc(NC(=O)COc2cccc(/C=C/C(=O)c3ccc(Cl)cc3Cl)c2)cc1 1874593319 DBSVSKFWKHMMQZ-KPKJPENVSA-N 440.326 6.215 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3cccc(C)c3C)c2)cc1 1874593352 FRINHQKDATVZBL-OBGWFSINSA-N 441.571 6.560 30 10 IKEE Cc1cccc(NC(=O)COc2cccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)c2)c1 1874593778 BLJAPVRZVMILLF-NTCAYCPXSA-N 425.528 5.787 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OCC(=O)Nc1cc(C)ccc1C 1874594662 WBAGADMYBFNYNM-ACCUITESSA-N 445.515 5.234 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OCC(=O)Nc1ccc(C)cc1 1874619995 DAVOWJGQTVZCOP-NTUHNPAUSA-N 447.506 5.755 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OCc3ccccc3)c(OCC)c2)c1 1874630012 GCNQQXQNVJBXDW-NTCAYCPXSA-N 446.543 6.358 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)ccc1OCc1ccccc1F 1874636057 HDHJUKYJHFTZDI-DHZHZOJOSA-N 440.898 6.362 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)cc1C 1874636904 YPHOECMOZYIPPT-SDNWHVSQSA-N 443.543 5.842 30 10 IKEE CCCc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C(C)C)cc3)c2)cc1 1874709521 FRWOZFIDQTWLSR-WOJGMQOQSA-N 442.555 6.643 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)c2cccc(C)c2)c1 1874712289 RZCWDUARGIZCMD-MDZDMXLPSA-N 441.310 6.426 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2Cl)cc1)c1ccc(Cl)cc1Cl 1875104220 MAIPBWIPRALKIM-KPKJPENVSA-N 431.702 6.762 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc(OC)cc1 1875111894 OEYNNCNUUHTHSP-RIYZIHGNSA-N 436.891 5.863 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2cc(C)ccc2OC)cc1OCC 1875145267 JAAIBBPVTXQSIM-ZHACJKMWSA-N 430.928 6.047 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)CC1CCCCC1 1875150562 SZHDBQOZKNJWEJ-MHWRWJLKSA-N 434.576 6.765 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)c3ccccc3)c(OC)c2)c(OC)c1 1875177851 MDXJFNKNCKAJTO-PMXLPMHFSA-N 446.499 5.318 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)C(F)(F)F)c(Cl)c2)c2ccccc12 1875190999 WRNVBFQXMYQYCJ-RMKNXTFCSA-N 434.797 5.866 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)ccc1OC(=O)c1ccccn1 1875191750 CDXIIDZBCPJAPR-JLHYYAGUSA-N 439.467 5.367 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](Cc2cc(Cl)ccc2Br)NCC)C1 1892695574 QDTRDBGYZWGVHP-KRWDZBQOSA-N 443.813 5.237 30 10 IKEE CCCCCCCCCCCC[C@H](O)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 1915228042 ILNYYBHRTNOHAJ-SANMLTNESA-N 447.704 7.876 30 10 IKEE C=CCC1(NCc2cccc(Cl)c2Br)CCN(C(=O)OC(C)(C)C)CC1 1924524806 UFPZRBQNVLDIFK-UHFFFAOYSA-N 443.813 5.538 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@]1(C#N)[C@H](CNC(=O)OC(C)(C)C)CCC12CCC2 1924921095 VAFQTFWCKIVPEJ-MHECFPHRSA-N 435.609 5.247 30 10 IKEE CC1(C)CC[C@@H](Nc2ccc(C#N)cc2Br)[C@H](CNC(=O)OC(C)(C)C)C1 1927072036 XBKKNRSVOZYBJA-DOTOQJQBSA-N 436.394 5.452 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1ccc(Cl)s1 1942299576 BJIYVRXISOCLSO-CYBMUJFWSA-N 427.751 6.170 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)c1 1945525567 PLCWJCMLDLDPRM-SXLOBPIMSA-N 429.561 5.274 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1(C)C 1947970682 JHEPQUZRSWTRCE-QHCPKHFHSA-N 433.524 5.249 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)CCC1(C)C 1950226494 VONKPRSGLGJBEG-DEOSSOPVSA-N 429.561 5.500 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@@]2(C#N)N(CC2CC2)C(=O)OC(C)(C)C)C1 1950309130 SQRCLLQUYKASCW-ZEQRLZLVSA-N 433.593 5.097 30 10 IKEE CCCCCCC[C@H](O)[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1975117230 PKHQAXKDKVXQFT-OZXSUGGESA-N 439.552 5.090 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](Cc1cccs1)NC(=O)OC(C)(C)C 2004743766 FMGCZLWWCPBISI-DHIUTWEWSA-N 444.641 5.325 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(C(=O)OC(C)(C)C)C23CCC3)c1 2015371809 GUXUFDGSSNTURE-XMMPIXPASA-N 427.545 5.172 30 10 IKEE CCOc1ccc(C=C2CC(C)CC(=Cc3ccc(OCC)c(OC)c3)C2=O)cc1OC 2053528281 BJDCCWRIZUGCMN-UHFFFAOYSA-N 436.548 5.967 30 10 IKEE CC(C)(C)c1nn([C@H](c2ccc(C(F)(F)F)cc2F)C2(C)CC2)c(Cl)c1C=NO 2079951812 YNAMJKBDRGESOT-MRXNPFEDSA-N 431.861 6.190 30 10 IKEE COc1ccc([C@@H](n2nc(C(F)(F)F)c(C=NO)c2Br)C2(C)CC2)cc1C 2080013157 YZESZDDFJIZLTR-OAHLLOKOSA-N 446.267 5.179 30 10 IKEE COc1ccc([C@H](C2CCC2)n2nc(C3CCC3)c(C=NO)c2Br)c(F)c1 2080059493 AORJKQVSLRQLKE-IBGZPJMESA-N 436.325 5.258 30 10 IKEE CCCCCCCC[C@@H](NCCC)c1csc(Br)c1Br 2150371451 GUSYPHJIZGUGSN-CQSZACIVSA-N 425.274 7.064 30 10 IKEE CN(C(=O)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1)C1(C#N)CCCCC1 2181047347 OPTGDVSSUQYCQL-UHFFFAOYSA-N 436.350 5.095 30 10 IKEE C[C@@H](c1cccs1)N(Cc1ccccc1)Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2214520647 OWYQPSVLAZQHCT-SFHVURJKSA-N 439.455 5.872 30 10 IKEE C=CC[C@H](C)[C@@H](NCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229111347 XCCZSTOMNVSQPN-ZYSHUDEJSA-N 425.411 5.075 30 10 IKEE CCCCCC#CC[C@H](O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237383048 QZASJHVKBXKFMA-PMACEKPBSA-N 438.406 5.220 30 10 IKEE C=C(C)CCCCNc1c(Br)cc(Br)cc1Br 2250162368 YDDKJLFHNRWLGB-UHFFFAOYSA-N 425.990 6.132 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](O)c1sc(Cl)cc1Br 2259957547 HTXPCQALASHCOH-ROUUACIJSA-N 444.822 5.339 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H](CNc2ccc(C#N)c(Br)c2F)CC1 2295177261 KABBGNWJFXJXCI-CQSZACIVSA-N 440.357 5.299 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1c(F)cccc1Cl)C2=O)c1ccc2c(c1)OCO2 2296867519 VBIYYJYYZRDVIF-UHFFFAOYSA-N 438.794 5.043 30 10 IKEE CC(=C1SC(=Nc2ccncc2Cl)N(C2CCCCC2)C1=O)c1ccc(C)c(C)c1 2314541826 CGSIBTYXPWWBQT-UHFFFAOYSA-N 440.012 6.679 30 10 IKEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1cccc2ccccc12 2321190787 AZYLLIWOZKWGGC-UHFFFAOYSA-N 427.360 6.221 30 10 IKEE CCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1cc(Cl)cc2c1OCOC2)C3=O 2322042492 WDCIGIIGJZBHGS-UHFFFAOYSA-N 441.911 5.083 30 10 IKEE Cc1ccc(C(=O)C=Cc2c(OCC(=O)NCc3ccco3)ccc3ccccc23)cc1 2322591564 KYGOBOYXCCNHBR-UHFFFAOYSA-N 425.484 5.333 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(=O)c4ccc(C)cc4)cc(C)c3C2=O)c1OC 2322671262 AWCFWZSGPKCFSP-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1cc(Cl)ccc1OCc1ccccc1 2322829448 MDNQILZWCOYCKY-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE COC(=O)c1ccc(COc2cc(C=CC(=O)c3ccc4ccccc4c3)ccc2OC)o1 2323047690 CGASAGZWFADNHI-UHFFFAOYSA-N 442.467 5.703 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O)c1ccc(C(F)(F)F)cc1 2323348078 RQLQLEYBCYUBCJ-UHFFFAOYSA-N 428.337 5.680 30 10 IKEE Cc1c(OC(=O)COc2ccc(Cl)cc2)ccc2c1OC(=Cc1cccc(F)c1)C2=O 2323532856 BSVKTYUJDRMZIN-UHFFFAOYSA-N 438.838 5.388 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)cc([N+](=O)[O-])c1OCCc1ccccc1 2323635358 QEEJWAUPKHGUQZ-UHFFFAOYSA-N 447.487 5.520 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cccc(C)c3)cc2)cc1 2323921468 ZLNCFSAUHZOKNM-UHFFFAOYSA-N 429.516 5.697 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@](C#N)(N(C(=O)OC(C)(C)C)c1ccccc1F)C2 2324108087 FJIPUBXORGMOCM-UXSWERMXSA-N 445.535 5.249 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3)cc2)cc1 2324201569 OOFLCBIGGZGNAA-UHFFFAOYSA-N 428.572 7.511 30 10 IKEE COc1c(Cl)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)C=Cc2ccc(C)cc2)n1 2324714304 HCMRGXBDRKLWDI-QGZVFWFLSA-N 443.355 6.324 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1C)OC(=Cc1cccs1)C2=O 2325142123 LGKVNDXMSKPXGF-KRWDZBQOSA-N 433.529 5.696 30 10 IKEE CCOC(=O)c1ccc(COc2cc(C)c3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)o1 2325402470 DDTIOMAJBXOXBC-UHFFFAOYSA-N 447.487 5.026 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccc(Cl)cc1Cl 2325528787 HXQCQGCZYUCTLA-UHFFFAOYSA-N 447.435 6.719 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(Cl)cc1 2325536147 VHQASDQJZCNJDQ-UHFFFAOYSA-N 437.371 6.241 30 10 IKEE CCOc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2cccc(F)c2)C3=O)cc1 2325705345 RTKSWKDBMIAYHT-UHFFFAOYSA-N 447.462 5.167 30 10 IKEE Cc1ccc2oc(=O)cc(COc3cc(C)c4c(c3)OC(=Cc3sccc3C)C4=O)c2c1 2325741854 HJFCJKUBYPBEGZ-UHFFFAOYSA-N 444.508 5.975 30 10 IKEE CCOc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)c2)cc1 2325756716 OUNDDCANDSKJRV-UHFFFAOYSA-N 442.555 6.363 30 10 IKEE CCOc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(OC)cc3OC)c2)cc1 2325761367 GAJHPSBVUYJVSN-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cccc(OC(=O)c2cc(C)cc(C)c2)c1 2325763514 REIGERIWFNOSMK-UHFFFAOYSA-N 434.919 6.389 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1OC(=O)c1cccs1 2325765237 NPHKUZADRMGZLQ-UHFFFAOYSA-N 434.557 6.478 30 10 IKEE CCCOc1c(Cl)cc(C=Nn2cnnc2SCc2ccc(F)cc2)cc1Cl 2326236607 ZEASJYPLIFEGNQ-UHFFFAOYSA-N 439.343 5.687 30 10 IKEE COc1cccc(C=Nn2cnnc2SCc2ccccc2F)c1OCc1ccccc1 2326255192 IGLGNZWWVUIFRN-UHFFFAOYSA-N 448.523 5.179 30 10 IKEE C=CCSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccccc1OCCC 2327976860 SOZYFVJRLSJVAP-UHFFFAOYSA-N 441.000 5.666 30 10 IKEE Cc1cccc(OCc2nnc(SCc3cccc(F)c3)n2N=Cc2cccnc2)c1C 2328833186 YZCSGCZXQGRTIF-UHFFFAOYSA-N 447.539 5.183 30 10 IKEE C=CCSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(OCC)c(OCC)c1 2329588351 VLIPNXFODXYTOM-UHFFFAOYSA-N 442.972 5.556 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CC[C@@H]2[C@H](C1)C2(F)F 2329715589 HAUXFPDMLDPSAM-VKJFTORMSA-N 427.289 5.518 30 10 IKEE Oc1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2F)cc1 2329842667 AUVRZTMZLWCVBN-UHFFFAOYSA-N 436.487 5.027 30 10 IKEE C=CCSc1nnc(CCc2ccccc2)n1N=Cc1cccc(OC)c1OCCC 2330201836 ZVJVUEPGJHDTGW-UHFFFAOYSA-N 436.581 5.021 30 10 IKEE CCCC(=O)Oc1c(OC)cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1OC 2330597114 YUVCPHKQACGBGB-UHFFFAOYSA-N 430.500 5.972 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(OC)c3)cc2)cc1 2330705812 ALHBKYLYGJMNEY-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)[C@H]1CCCO1 2330820980 MUYNVQBRBDMZAC-HXUWFJFHSA-N 435.303 5.373 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(OC)c1OC(=O)c1sccc1C 2330911330 MSLFHBNESDZLGZ-UHFFFAOYSA-N 442.920 5.842 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)cc3)cc2)cc1 2330951960 DYFKOHABLAYPTB-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)CCCOc2ccccc2C)cc1 2331051361 DRUVKIGJQXLAMI-UHFFFAOYSA-N 430.500 5.664 30 10 IKEE Oc1cccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2-c2ccco2)c1 2331215970 GSZGTFNCXRYEMX-UHFFFAOYSA-N 445.331 5.725 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccnc3)c(Br)c2)c(C)c1 2331224394 AIRDFTQESWMUIG-UHFFFAOYSA-N 436.305 5.576 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3)c(Br)c2)c(C)c1 2331224870 XWLQEOCQBGJBJQ-UHFFFAOYSA-N 435.317 6.181 30 10 IKEE O=[N+]([O-])c1ccccc1C=Nn1c(SCc2cccc(Cl)c2)nnc1-c1ccco1 2331225175 NZQKCADJMDEBRN-UHFFFAOYSA-N 439.884 5.274 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(SCc2cccc(F)c2)nnc1C(C)(C)C 2331385249 NFWYIKCZJRSZNX-UHFFFAOYSA-N 448.567 6.051 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(Br)c1OC(C)=O 2331429230 GZXXVRTXHLMSIJ-UHFFFAOYSA-N 445.353 5.967 30 10 IKEE CC(C)Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccc(Cl)cc1 2331444169 ULXJUYDBYJWARW-UHFFFAOYSA-N 429.933 5.213 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2)c(OC)c1 2331489921 LCBPHLOKSSSYID-UHFFFAOYSA-N 444.527 5.871 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C2CCC2)c(Cl)c1)c1ccc(Oc2ccccc2)cc1 2331595170 VEBJNZMOJQJXCW-UHFFFAOYSA-N 432.903 6.734 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3Cl)cc2)c(C)c1C 2331612041 WQFPBRDMKBUHJC-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE COc1cc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3F)cc2)c(OC)cc1Cl 2331687352 UKOUMKKZLJSUJW-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3cc(C)c(Cl)c(C)c3)cc2)cc1C 2331704648 PLYGJPBFDYLSNN-UHFFFAOYSA-N 448.946 6.454 30 10 IKEE COc1cc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C(C)C)ccc1O 2331716616 QKLUYOUNNVFDQH-UHFFFAOYSA-N 434.924 5.083 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)c2cccs2)c(Cl)c1 2331792979 RLKIZQBBJKCKOC-UHFFFAOYSA-N 438.976 7.123 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccccc3F)c([N+](=O)[O-])c2)cc1C 2331851559 RPASKSNGVKCSQP-UHFFFAOYSA-N 449.434 5.475 30 10 IKEE CC(C)[C@@H](CCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339578332 FTLFRDXBIMRYNC-XYDKVEKUSA-N 446.397 5.044 30 10 IKEE N#Cc1c(Br)cccc1OCc1c(Br)cccc1Br 2340571004 LCPWVFLZMCXYRZ-UHFFFAOYSA-N 445.936 5.425 30 10 IKEE CC1(C)CCN(Cc2ccccc2)CCN1c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2365065082 YABVAEBNKLNWQJ-JQIJEIRASA-N 447.432 5.217 30 10 IKEE CC1(C)C[C@H](CNc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CN1Cc1ccccc1 2365067936 LCKQTJWYOPLZSF-WOOPDLCSSA-N 447.432 5.439 30 10 IKEE C[C@H]1CCc2c(sc(NC(=O)COc3ccc(C(C)(C)c4ccccc4)cc3)c2C#N)C1 1959863 MFPIJSJXJRONJN-SFHVURJKSA-N 444.600 6.088 30 10 IKEE CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)c(Cl)c1 9861337 CXRNYWZRPIVGDD-JOCHJYFZSA-N 429.347 6.156 30 10 IKEE CC1(C)C[C@@](C)(c2ccccc2)c2cccc3c2N1C(=O)/C3=N\c1ccc(Cl)c(Cl)c1 12406333 NKVBMEVULBJSKQ-HVCOVSINSA-N 449.381 6.949 30 10 IKEE COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc([N+](=O)[O-])cc2)c1 21221377 MLAILDOJURAKKT-HFJWLAOPSA-N 441.487 5.583 30 10 IKEE CCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccccc1OC)C2 21242290 KUYIVVPDDMQZIR-XDBZFTIUSA-N 440.543 6.073 30 10 IKEE COC(=O)c1ccc([C@H]2C3=C(C[C@@H](c4ccc(Cl)cc4)CC3=O)Nc3onc(C)c32)cc1 28052307 DMOJYYSNYXAHLQ-VGOFRKELSA-N 448.906 5.381 30 10 IKEE COc1ccc(C(=O)Oc2ccccc2/C=C\C(=O)c2ccc(-c3ccccc3)cc2)cc1 34954566 ZAYILPKEPXNLCD-JZJYNLBNSA-N 434.491 6.478 30 10 IKEE Cc1c(C(=O)C(c2ccccc2)c2ccccc2)c(O)n([C@H](C)c2ccccc2)c(=O)c1C#N 38623415 FLYLFPHEPHNKPW-HXUWFJFHSA-N 448.522 5.358 30 10 IKEE C=CCc1ccccc1OCCn1c([C@@H]2CC(=O)N(c3ccccc3)C2)nc2ccccc21 40251241 NUFHJUKWBIJZJM-JOCHJYFZSA-N 437.543 5.364 30 10 IKEE Cc1cc(OC(=O)c2ccncc2)cc2c1C(=O)/C(=C/c1ccc(-c3ccccc3)cc1)O2 41294131 BMJSWNPKGLLSFG-XYGWBWBKSA-N 433.463 5.892 30 10 IKEE COc1ccc(CN2COc3c(cc4c(c3C)O/C(=C\C=C\c3ccccc3)C4=O)C2)cc1 41588580 OPTIGCFANFZJHX-XAABERSQSA-N 439.511 5.528 30 10 IKEE CC(C)(C)c1ccc(/C=C2\Oc3c(ccc4c3CN(CCc3cccs3)CO4)C2=O)cc1 41659322 OHUQEYHGDQAGIL-IWIPYMOSSA-N 445.584 6.056 30 10 IKEE CCCCCCC[C@@](O)(c1ccc(OC)cc1)[C@@H](CN1CCOCC1)c1ccccc1 98048924 BONCPNABCFPOTE-RRPNLBNLSA-N 425.613 5.359 30 10 IKEE CC(C)c1ccc(/C=C2\S/C(=N/Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1 100082022 DPDSYBKOAZMJIH-RIOWCJPESA-N 426.585 6.483 30 10 IKEE CCN1C(=O)C[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)S/C1=N\c1ccc(F)cc1 100197366 SXDMNGBSXDKZSW-WGCOJADFSA-N 440.327 5.113 30 10 IKEE COc1cc(/C=C2/S/C(=N\c3ccccc3)N(C)C2=O)ccc1OCc1ccccc1 100313826 CXJNHLANPRLTRL-OQNHBUHUSA-N 430.529 5.508 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc1 100321796 GJVIRMIJYUMVRS-UHFFFAOYSA-N 430.548 6.540 30 10 IKEE CC(C)c1ccc([C@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2c2cccc(Cl)c2)cc1 102580584 BIGUSMGZIZKJAE-FEYWKWKCSA-N 431.919 6.090 30 10 IKEE CCCCCCCCCCCC(=O)Nc1nc(-c2ccc(Br)cc2)cs1 109352079 XOVIWTMVYSBRBM-UHFFFAOYSA-N 437.447 7.432 30 10 IKEE CCCc1nnc(SCc2ccc(Br)cc2)n1/N=C\c1sccc1C 135883903 LTPJRTAYAHISSC-JAIQZWGSSA-N 435.416 5.538 30 10 IKEE CSc1nnc(Cc2ccccc2)n1/N=C\c1ccc(OCc2ccccc2)c(Cl)c1 169916153 YNTSANBDYKJJIO-QQXSKIMKSA-N 448.979 5.705 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc(F)c(C)c2)=C(O)C(=O)N1c1ccccc1C 169946208 JMZKNTMOJZNECN-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2CCC)cc1 169975899 OBAJYKSJXXSOQF-DEOSSOPVSA-N 446.547 5.725 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC)cc1 169976078 MGZUQSCZARDTJI-QFIPXVFZSA-N 425.500 5.383 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccs2)cc1 169983008 IKTQFFUHFBWIDZ-OAQYLSRUSA-N 437.948 6.308 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@H]2c2ccncc2)cc1 170017224 MWSJSCJGGWYTRY-QHCPKHFHSA-N 442.515 5.171 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccccc2C)cc1 170030133 KBVXDFRIUONRMI-AREMUKBSSA-N 441.527 5.496 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(O)c(Cl)c2)s1 170042412 QBZYXGGKSOUTQF-GOSISDBHSA-N 446.956 5.030 30 10 IKEE CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccccc2)cc1 170053355 NYCRNNVZRSLTSN-JOCHJYFZSA-N 446.890 5.081 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2ccc(C)cc2)=C(N2C[C@H](C)C[C@@H](C)C2)C1=O 170076949 SLXYVOBAKHXBHT-DHIUTWEWSA-N 438.656 6.194 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2ccco2)cc1 170094004 QRERRNCHUUVCJV-IBGZPJMESA-N 443.377 5.090 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc(C)c2)cc1C(C)C 170145351 FQHXIBKYZUOOAP-VWLOTQADSA-N 447.575 6.038 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1cccs1)c1ccc(Cl)c(Cl)c1 170157342 SNIINDPFSMJZDF-SFHVURJKSA-N 446.311 5.543 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccs2)cc1C 170158025 JXVLFPCKJLMNSA-JOCHJYFZSA-N 429.497 5.894 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccccn1)c1ccc(Cl)cc1 170173959 RQZPYELRKJVHLW-LJQANCHMSA-N 425.271 5.171 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1cccnc1)c1ccc2ccccc2c1 170184588 CQLXLBNPENEMPZ-HSZRJFAPSA-N 442.421 5.296 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccncc2)ccc1Cl 170202891 XJLNELMEMLGSTO-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccncc2)cc1 170203790 RAQAXRPIQYTEFC-QFIPXVFZSA-N 448.906 5.305 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccc(OCC)cc1 170214194 PKIFNFSCKWVROD-QHCPKHFHSA-N 432.520 5.335 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@H]1c1ccc(O)c(Cl)c1 170219901 ABXOZSYBEKSFEE-OAQYLSRUSA-N 443.927 5.049 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cccc2ccccc12 170220803 AVULGRYCOGWQAW-QFIPXVFZSA-N 430.460 5.126 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)c(C)c2)[C@H]1c1cccc(O)c1 170263578 NSXQKQKHJDVOFP-HSZRJFAPSA-N 437.536 5.258 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cc(OC)ccc3OC)=C(O)C(=O)N2c2ccccc2)cc1 170265375 YFTSUVYTFBMFDH-DEOSSOPVSA-N 443.499 5.049 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccco2)c1 170279623 JWXZHDORCNVELQ-IBGZPJMESA-N 443.908 5.172 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccco2)cc1C(C)(C)C 170282212 ZSDOHJOFEBKJOJ-JOCHJYFZSA-N 449.478 5.508 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2ccco2)c1C 170286077 FKVUVZBJKCUXQC-QHCPKHFHSA-N 429.472 5.004 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccco2)ccc1OCC(C)C 170286393 HSPHUPDNRIUPST-QHCPKHFHSA-N 431.488 5.406 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccc(C)o2)cc1C 170305629 BUMXYEZRAIPVDP-DEOSSOPVSA-N 445.515 5.777 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1sccc1C 170317570 NJFFFUBAHCSXSC-FQEVSTJZSA-N 425.550 5.285 30 10 IKEE C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OCCC)cc3)=C(O)C(=O)N2CCC)c1 170324395 IPHMVYRAYQQXSE-HSZRJFAPSA-N 435.520 5.029 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C(C)C)cc2)cc1OC 170433746 KSYZIDYKFYBFBJ-HSZRJFAPSA-N 447.487 5.203 30 10 IKEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@H]3c3ccc(C(C)(C)C)cc3)nc2c1 170472289 KSNGXMZTWWENJH-HSZRJFAPSA-N 445.563 5.684 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2nc3ccc(C(C)C)cc3s2)[C@H]1c1cccs1 170477709 BKYNUGPQMCKTNM-FQEVSTJZSA-N 440.590 5.996 30 10 IKEE CCC(C)(C)C1C/C(=C/c2ccc(OC)c(O)c2)C(=O)/C(=C\c2ccc(OC)c(O)c2)C1 207531974 HFKOCTMPNGULNM-YZLQMOBTSA-N 436.548 5.997 30 10 IKEE COC(=O)c1ccc(/C=C2\SC(=Nc3c(C)cccc3C)N(c3ccccc3)C2=O)cc1 252596800 CMLPCGAZLNCEMU-QQRHMWMMSA-N 442.540 5.899 30 10 IKEE C=CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccc2ccccc2c1 253574691 SYNGMGVKJWLFJQ-UHFFFAOYSA-N 428.561 5.632 30 10 IKEE Cc1ccccc1-c1nc2sc3c(c2c(=O)n1N=Cc1ccc([N+](=O)[O-])cc1)CCCC3 254312528 WRBUADIGSBJFGW-UHFFFAOYSA-N 444.516 5.103 30 10 IKEE COc1ccc(C=NNc2nc(-c3ccccc3)c(NC(=O)c3ccc(C)cc3)s2)cc1 254320872 WTOBUACFJMTSPD-UHFFFAOYSA-N 442.544 5.825 30 10 IKEE CCOC(=O)c1c(N=Cc2c(O)c([N+](=O)[O-])cc3oc4c(c23)CCCC4)sc(C)c1C 254752488 XKBZEPJSCBHDQJ-UHFFFAOYSA-N 442.493 5.531 30 10 IKEE Cc1cc(C)cc(NC(=O)c2c(N)n(N=Cc3ccccc3C)c3nc4ccccc4nc23)c1 254807884 FSMVTGPYXWPYGH-UHFFFAOYSA-N 448.530 5.226 30 10 IKEE CCCCCCCO[C@@H]1[C@H](OCc2ccccc2)C[C@H](O)[C@H]1N(C)CCCCCCC 256515393 ZXVORAHNQMMMDB-FICKONGGSA-N 433.677 5.963 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2c(C)[nH]c3ccccc23)cc1 526486291 NZSUWKRGGRFHQM-SANMLTNESA-N 449.510 5.804 30 10 IKEE CCOc1cc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(F)cc2)ccc1OC 526517113 SVXJPRPIOWALIZ-DEOSSOPVSA-N 444.462 5.162 30 10 IKEE Cc1ccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 526803282 WBVIBVOPPOANGT-PKAZHMFMSA-N 430.552 5.685 30 10 IKEE CCCOc1cc(/C=N\n2c(CC)nnc2SCc2ccc(Cl)cc2)ccc1OC 526807245 PTIGSXDDDWCZSC-OYKKKHCWSA-N 444.988 5.466 30 10 IKEE C=C(C)CN(c1cc(OC)cc(OC)c1)S(=O)(=O)c1ccc(CCCCCC)cc1 586236216 KQAUITYGBFVPSN-UHFFFAOYSA-N 431.598 5.598 30 10 IKEE COc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 586258974 VAMTWCCLBANBIF-UHFFFAOYSA-N 447.343 5.269 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1ccc(F)c(F)c1F 693445988 GEZGTHRMQXTVFO-HNNXBMFYSA-N 441.247 5.873 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)CC1(C)C 698371785 GBDWDOLWJJNPNG-RUZDIDTESA-N 443.588 5.496 30 10 IKEE COC1(OC)CCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 704576036 VFXIKFLYFNOIAP-IBGZPJMESA-N 439.350 5.016 30 10 IKEE CC#CCC[C@H](NCCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 708566398 YBOSPWIHXBGTDH-VQTJNVASSA-N 437.422 5.057 30 10 IKEE CCOc1cccc(C=Nc2cc(C(F)(F)F)ccc2Oc2ccc(OC)cc2)c1O 1083933980 FXCOGLKLMSYVFV-UHFFFAOYSA-N 431.410 6.361 30 10 IKEE C[C@@H]1C[C@@H](C)CN(/C(=N/Cc2cc(Br)ccc2F)Nc2ccc(O)cc2)C1 1088684385 SPPSLJOACNQGCW-HUUCEWRRSA-N 434.353 5.240 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=Nc1cccnc1Cl 1772735617 IJYKCKBGVJUJMC-DJCXZETLSA-N 440.868 5.137 30 10 IKEE Cc1c(C(=O)Nc2ccccc2Br)oc2c1C(=NNc1ccccc1)CCC2 1772750468 APUIAZRJBOXFSX-UHFFFAOYSA-N 438.325 5.755 30 10 IKEE Cc1c(C(=O)Nc2ccc(F)cc2)oc2c1C(=NNC(=S)Nc1ccccc1)CCC2 1772751455 RIWKJZNNCMZXQD-UHFFFAOYSA-N 436.512 5.006 30 10 IKEE N#Cc1ccc(COc2cccc(NC(=O)Cc3ccc(Br)s3)c2)cc1 1860136931 MGZJGEHBQPNGIM-UHFFFAOYSA-N 427.323 5.142 30 10 IKEE CC[C@H](C)c1ccccc1NC(=O)C(=O)/C=C/c1ccc(OCc2ccccc2)c(OC)c1 1860728748 UMFKOSMNZHKZEH-VISDOYDDSA-N 443.543 6.009 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccccc1C(=O)O 1862384137 PMSGPNKCTSDNMA-ZMZPIMSZSA-N 448.302 5.068 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(O)cc1 1862442465 JHOOKQFZZFVCAC-UGKGYDQZSA-N 441.955 5.983 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862444607 BWHVJDYWWIHZRL-QFIPXVFZSA-N 433.891 5.127 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(F)cc1)c1c(F)cc(F)cc1F 1862457740 WQAVTCVNMBNSPQ-IBGZPJMESA-N 447.409 5.083 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1cccc(Cl)c1 1862470946 ZGJNJHJHNIAJDI-KPZWWZAWSA-N 448.744 5.479 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862488925 LIRSBGVVMMJHQJ-DFBJGRDBSA-N 441.527 5.652 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccc(O)cc2)cc1 1862529916 LGQOLRDCHMPUFN-DEOSSOPVSA-N 433.548 5.646 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2cccc(C)c2)cc1 1862532226 GGNNVWZEBLVJIY-RUZDIDTESA-N 443.518 5.518 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccc2C)cc1 1862532746 JEMIAQFDYAFRAT-DEOSSOPVSA-N 429.491 5.475 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1c(F)cccc1Cl 1862549093 IAJSGZLZUCZCJQ-JLCFBVMHSA-N 441.930 5.735 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(C(C)(C)C)cc2)=C(O)C(=O)N1C1CCCCCC1 1862613999 VGYSYQVQJCSCFR-VWLOTQADSA-N 445.603 6.594 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(C(C)(C)C)cc1 1862654185 XMUWABLQDSNUSG-RUZDIDTESA-N 441.571 6.372 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C(C)C)cc3)[C@@H]2c2ccccc2F)cc1 1862663293 QTEZXVJNFKBTKD-VWLOTQADSA-N 443.518 6.036 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(O)cc1 1862673009 AMCDYLGRSCCJMM-UGKGYDQZSA-N 425.500 5.469 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862684238 RVNLKLQMNHOQDD-SBUREZEXSA-N 439.527 5.772 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1c(Cl)cccc1Cl 1862690175 JGZVKLMRQULVSC-HXUWFJFHSA-N 448.346 5.771 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccc(O)c1 1862722607 VHXUXRRPBFKUEA-XMMPIXPASA-N 427.500 5.438 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2C(C)C)c1 1862726784 OUNPVKDENWSDBG-RUZDIDTESA-N 441.527 5.739 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(OCC)cc2)C1=O 1863216303 FYHLOPQDCDYFJT-UHFFFAOYSA-N 445.563 5.509 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(Cl)c2)=C(c2ccc(C)c(C)c2)C1=O 1863249651 UBSNREJPSUJHAG-UHFFFAOYSA-N 438.999 6.509 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(CC)cc2Br)=C(c2ccc(C)c(C)c2)C1=O 1863257783 YWVPNLGJDTXCAF-UHFFFAOYSA-N 439.353 5.006 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(C34CC5CC(CC(C5)C3)C4)C2=O)cc1 1863269396 CGVJQUGVZHBQIG-UHFFFAOYSA-N 437.543 5.028 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2[N+](=O)[O-])C(=O)N(C2CCCC2)C1=O 1863588498 GBXWIGBBJJLNMJ-UHFFFAOYSA-N 441.572 5.348 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccco2)=C(c2ccccc2F)C1=O 1863645026 XYFPBYOSOHUXFB-UHFFFAOYSA-N 426.532 5.429 30 10 IKEE CCc1nc2ccc(Cl)cc2c(C(=O)Nc2c(C#N)cnn2-c2ccccc2F)c1C 1866281476 LQBWQCCKRFBUNU-UHFFFAOYSA-N 433.874 5.208 30 10 IKEE C[C@@H](CC(=O)N[C@@H](C(=O)Nc1cccc(C#N)c1)c1ccccc1)c1cccc(Cl)c1 1867186072 AORYLWVQRHYENH-BXKMTCNYSA-N 431.923 5.201 30 10 IKEE CCc1nc(Nc2cccc(C#N)c2)cc(N2CCc3ccccc3[C@@H]2c2cccc(F)c2)n1 1868268486 MJCLPVMQEMEJTM-NDEPHWFRSA-N 449.533 5.945 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](CCCC)NC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)C(C)C 1868866125 RXTVNGAAKSSTSB-LEWJYISDSA-N 439.427 5.609 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)c2c(F)cccc2Cl)n(-c2ccc(Cl)cc2)n1 1870002167 DHQGJWYBWMKXQL-UHFFFAOYSA-N 446.313 5.144 30 10 IKEE C=CCOc1cn(CC(C)C)c(CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1=O 1870808310 VJIFULIEBKTGFU-UHFFFAOYSA-N 448.407 5.719 30 10 IKEE COc1ccc([C@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2cccc(F)c2)C4=O)cc1 1871354030 FFNWEKIZVGOUIP-XLFQKYORSA-N 431.463 5.364 30 10 IKEE Cc1c2c(cc3c1O/C(=C\C=C\c1ccccc1)C3=O)CN(C1CCCCCCC1)CO2 1871355856 ZYWIYMRFUBEPQX-YXTGAXEWSA-N 429.560 6.432 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OC(=O)CCc3ccc(Cl)cc3)c2C)C1=O 1871368827 QBALMBOAVIROBS-HAHDFKILSA-N 432.903 6.111 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871370032 NSLBFHGPODSGFU-XKZIYDEJSA-N 434.875 5.557 30 10 IKEE Cc1c(OC(=O)CCCOc2ccccc2)ccc2c1O/C(=C\c1ccccc1F)C2=O 1871371094 JZQAKPLGXYTUTI-KQWNVCNZSA-N 432.447 5.515 30 10 IKEE Cc1c(OC(=O)Cc2cc(Cl)ccc2Cl)ccc2c1O/C(=C\c1ccco1)C2=O 1871376420 KEEZKXRUDHNMPD-ODLFYWEKSA-N 429.255 5.659 30 10 IKEE CCCC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccco2)C3=O)c1 1871390745 BENRWWAPEWVLPF-BKUYFWCQSA-N 432.428 5.129 30 10 IKEE Cc1ccc(OCCCOc2cc(C)c3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871406583 RQXVFOCFHJMQPM-IWIPYMOSSA-N 434.919 6.421 30 10 IKEE CCOC(COc1ccc2c(c1C)O/C(=C\c1ccccc1Br)C2=O)OCC 1871416382 ZJUMFARIZMAWGE-UNOMPAQXSA-N 447.325 5.152 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OC(c4ccccc4)c4ccccc4)c3C)C2=O)c1 1871432032 ZNSPRZOCGDHPLR-DIBXZPPDSA-N 432.519 7.088 30 10 IKEE Cc1c(OCC(=O)NC2CCCCC2)ccc2c1O/C(=C\c1ccc(Cl)cc1)C2=O 1871437950 IDPYMTRNCBIEDG-BKUYFWCQSA-N 425.912 5.092 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(F)c(F)c4)cc(C)c3C2=O)cc1 1871443535 WQTXMMCFLLLMRM-KSEXSDGBSA-N 449.453 5.469 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2C)C3=O)c1 1871460233 BGOZOLJTZRKEON-OYKKKHCWSA-N 427.500 5.554 30 10 IKEE Cc1ccc2oc(=O)cc(COc3ccc4c(c3C)O/C(=C\c3cccs3)C4=O)c2c1 1871460405 LGMCSUDVMKAOFR-UUYOSTAYSA-N 430.481 5.667 30 10 IKEE N#C[C@@H](C(=O)Cc1ccc(Br)cc1)c1nc(-c2cccc(Cl)c2)cs1 1872767089 NZSWARZYCUPAHU-INIZCTEOSA-N 431.742 5.645 30 10 IKEE COc1ccc(OC)c(-c2csc([C@@H](C#N)C(=O)Cc3ccc(Cl)c(Cl)c3)n2)c1 1872770741 CZECJXDKLGYCSV-HNNXBMFYSA-N 447.343 5.553 30 10 IKEE COc1c(Cl)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)Cc2ccc(C)cc2)n1 1872778361 JTWWGNLFFSQMNQ-INIZCTEOSA-N 431.344 5.853 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)c2cc(Cl)ccc2Cl)n1 1872785243 JBRDCCIOOGTHLF-SFHVURJKSA-N 443.399 7.213 30 10 IKEE Cc1csc([C@@H](C#N)C(=O)c2cccc(N3COc4ccc5ccccc5c4C3)c2)n1 1872789628 OXBZZNCDOXELQM-NRFANRHFSA-N 425.513 5.451 30 10 IKEE Cc1cc(C)c(C2=C(Nc3ccc(C#N)cc3)C(=O)N([C@@H](C)c3ccccc3)C2=O)c(C)c1 1873328959 CGGXFVZZVGHIOV-FQEVSTJZSA-N 435.527 5.437 30 10 IKEE Cc1cc(C)cc(CSc2nnc(C)n2/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)c1 1873501803 PUGSESUTGZSGHL-DHRITJCHSA-N 446.532 5.336 30 10 IKEE C=CCn1c(C(=O)Nc2cc(Cl)ccc2C)cc2c(NCc3ccccc3)ncnc21 1873608603 KDUBUVNZIIJMKQ-UHFFFAOYSA-N 431.927 5.444 30 10 IKEE C=CCSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1cccc(C)c1 1874209082 BISBEVGOLULZTR-HYARGMPZSA-N 427.371 5.100 30 10 IKEE CCOc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2cccs2)cc1 1874303042 DYFUHBSEAOUXLH-XIEYBQDHSA-N 448.617 5.546 30 10 IKEE OCCCSc1nnc(-c2ccccc2Cl)n1/N=C/c1c(Cl)cccc1Cl 1874367804 FZVONZHPLPEANE-SSDVNMTOSA-N 441.771 5.262 30 10 IKEE Cc1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SCc2ccccc2F)cc1 1874375960 XAUCIDIWYYIVET-JFLMPSFJSA-N 434.515 5.630 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874389377 OIAGDZMONVJQER-WYMPLXKRSA-N 442.972 5.095 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2cccc(F)c2)n1/N=C/c1cccc(F)c1 1874393362 KKRBVYJUGWTUBZ-JEWIKEISSA-N 434.515 5.883 30 10 IKEE Fc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccccc2F)cc1 1874402713 KODBROYVXKXLKC-JVWAILMASA-N 434.515 5.516 30 10 IKEE O=C(CSc1nnc(-c2ccccc2)n1/N=C/c1ccccc1Cl)Nc1ccccc1 1874425807 BMHITTKHOPEXBT-MFKUBSTISA-N 447.951 5.212 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2[C@@H]2CCCO2)cc1 1874453537 MDFWYDBOONIVDI-HMHIXTCJSA-N 444.963 5.659 30 10 IKEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3cccc(C)c3)nnc2-c2ccco2)cc1 1874465343 DRCZJLBPZWKGLH-MFKUBSTISA-N 445.548 5.022 30 10 IKEE CC(C)Cc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874491503 UVFVYHQDFORZOK-WSDLNYQXSA-N 429.933 5.213 30 10 IKEE CC(C)Cc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccccc1C(=O)O 1874491611 ZYBWSNBODBURAX-FSJBWODESA-N 428.945 5.003 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CCC2)cc1 1874498589 AGCJMYSRTWMNBM-ZVHZXABRSA-N 426.973 5.772 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CCC)nnc1SCc1ccccc1Cl 1874507921 CBCXOWUDAXXLJK-BUVRLJJBSA-N 426.973 5.623 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2Cl)nnc1C(C)C 1874517513 XROWJZYMLIXVEG-FOKLQQMPSA-N 435.380 5.891 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(C)nnc2SCc2c(F)cccc2Cl)cc1 1874535171 UGTPWEDGEBFYTL-ZMOGYAJESA-N 431.968 5.400 30 10 IKEE CCOc1c(Br)cc(Br)cc1/C=C/C(=O)c1ccc(CC)cc1 1874573022 QVLWNTHNICTZBG-MDZDMXLPSA-N 438.159 6.069 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccccc1/C=C/C(=O)c1ccc(C(C)C)cc1 1874583192 BLJVOIWZOXKMRN-WUKNDPDISA-N 427.544 6.340 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(F)cc2)c1OCc1ccc([N+](=O)[O-])cc1 1874584041 SQDGVBCSWHJCGR-IZZDOVSWSA-N 441.842 5.871 30 10 IKEE COC(=O)c1ccc(COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(C(C)C)cc2)o1 1874584112 XCZYDMVJUMPVPV-DHZHZOJOSA-N 438.907 6.318 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1Cl 1874590754 SRBBBKCDDMSETH-JXMROGBWSA-N 447.745 7.131 30 10 IKEE CCc1ccccc1NC(=O)COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC 1874596526 QOSXFMMBQQUCPS-RVDMUPIBSA-N 429.516 5.480 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OCc3c(Cl)cccc3Cl)c(Cl)c2)c1 1874605272 LOQBUSSTLNDZMF-CSKARUKUSA-N 447.745 7.131 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)c1 1874605650 YKLFVAAPGGQWDF-CSKARUKUSA-N 441.296 6.072 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OCC(=O)NC1CCCCC1 1874608544 UDYPACDWSTZWCN-ACCUITESSA-N 427.928 5.072 30 10 IKEE Cc1ccc(COc2ccc(/C=C/C(=O)c3cccc(Br)c3)cc2Cl)cc1 1874610008 WELCSKTYEGBVQT-PKNBQFBNSA-N 441.752 6.886 30 10 IKEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccccc3OC)cc2Cl)o1 1874610414 RJBMDEGSFPNLGI-JXMROGBWSA-N 426.852 5.203 30 10 IKEE CCCOC(=O)COc1c(OC)cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1OC 1874622062 JYLUZCHDQUKEAN-MDWZMJQESA-N 440.536 5.229 30 10 IKEE CCCNC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OC 1874622958 DUMFLILXWZLKLO-IZZDOVSWSA-N 429.944 5.273 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)c1)c1cccc([N+](=O)[O-])c1 1874692341 BDNZRYHIWMHPGW-CXYUPCIPSA-N 447.874 5.853 30 10 IKEE CCc1ccccc1OCC(=O)Oc1cccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1 1874692580 NWAJOEKOXLRCBI-BUHFOSPRSA-N 431.444 5.038 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2c(F)cccc2Cl)c1)c1ccc2c(c1)CCCC2 1874693490 HZFGGAKEGQRXJI-SDNWHVSQSA-N 434.894 6.473 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)CC(C)(C)C 1875082698 NHKNYMDOUNBJSQ-MHWRWJLKSA-N 428.528 6.600 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(OC)cc3OC)cc2)cc1 1875103877 UPPROEOGWKQPJI-CXUHLZMHSA-N 430.500 5.310 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3cc(C)cc(C)c3)c(OC)c2)cc1 1875103944 YAMVXGIEVIHKGY-DHZHZOJOSA-N 448.946 6.643 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1 1875104223 MEVAJGFRGMXTHN-MDWZMJQESA-N 441.310 6.046 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccs3)c(OCC)c2)cc1 1875107776 IMJYKPAJVACKLX-RVDMUPIBSA-N 434.557 6.605 30 10 IKEE C[C@@H](C(=O)Oc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-])c1ccccc1 1875118373 ZYLBCDAPPLKQEB-ROCHPLJESA-N 446.415 5.108 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3OC)cc2OC)c1 1875120097 BGJRFSNDAYUXKS-WYMLVPIESA-N 432.472 5.218 30 10 IKEE CN(C)c1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc(Cl)c3)cc2Cl)cc1 1875121227 FYXLWROYSCVVRA-WUXMJOGZSA-N 440.326 6.175 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(C)c(C)c1 1875122287 WLSKBXHIJAXYEB-FMIVXFBMSA-N 434.919 6.471 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2)c1 1875137868 IQWURFGVSDWFEH-DTQAZKPQSA-N 428.528 6.273 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OCCC)cc2)cc1OCC 1875139168 VEAWLPQTLAVRMS-GZTJUZNOSA-N 438.564 6.646 30 10 IKEE Cc1c(-c2ccccc2)oc2c(C(=O)N3CCC(C#N)(c4ccccc4)CC3)cccc2c1=O 1891813002 YVWVLXRLVAWYDP-UHFFFAOYSA-N 448.522 5.466 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCCC)c2ccc(Br)c(Cl)c2)C1 1892684672 PNWZSBQQNVHGLN-KRWDZBQOSA-N 443.813 5.757 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@](O)(CC)c1ccc(Br)cc1 1922075824 ZXUVVOKDMNKIPY-GOTSBHOMSA-N 432.402 5.188 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1ccccc1CCNC(=O)OC(C)(C)C 1922078789 ZUTSNIQFAKYLPI-VWLOTQADSA-N 438.612 5.568 30 10 IKEE CCCCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C(=O)O 1927436618 GXOFVGVXAJVJNY-XMMPIXPASA-N 437.580 6.365 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1944736970 SOMIGEMJQRJLIA-MOPGFXCFSA-N 449.979 5.763 30 10 IKEE CC(C)(C)OC(=O)N1CC(C)(C)[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 1996503950 HEFQMLMBOZHIFC-QHCPKHFHSA-N 433.524 5.106 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C1 2005383430 WBTKTSMYSRVRIX-HSZRJFAPSA-N 433.524 5.251 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1N(C(=O)OC(C)(C)C)CCCC1(C)C 2013226059 GQMIJXXPPLCOFA-DHIUTWEWSA-N 430.633 5.553 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@]1(C#N)CCC(F)(F)C[C@@H]1OCc1ccccc1 2043759099 QBPKCVIHJGYHNW-RXVVDRJESA-N 449.502 5.591 30 10 IKEE CC1(C)CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)[C@@H](OCc2ccccc2)C1 2043777085 MAVNLFXWHQJEMV-WNCULLNHSA-N 434.580 6.486 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1ccc(OCCNC(=O)OC(C)(C)C)cc1 2063590089 VDGANDBBAMJOED-DEOSSOPVSA-N 440.584 5.014 30 10 IKEE N#Cc1c(C(F)F)nn([C@@H](c2ccc(C(F)(F)F)cc2)C2CCC2)c1Br 2079927115 MHZVGDXANCWORF-CQSZACIVSA-N 434.206 5.863 30 10 IKEE CCOC(=O)c1c(C(F)(F)F)nn([C@H](C)c2ccc(C(F)(F)F)c(F)c2)c1Cl 2080051784 DRAMHVVYWCKENI-SSDOTTSWSA-N 432.723 5.499 30 10 IKEE CCCOc1ccc([C@@H](n2nc(C3(C)CC3)c(C#N)c2Br)C(C)(C)C)cc1 2080069344 PHSYFBLDEWQQNV-LJQANCHMSA-N 430.390 5.993 30 10 IKEE CC(C)c1cc(C(F)(F)F)ccc1-n1nc(-c2ccccc2)c(C#N)c1Br 2080352170 MSKPSOZXPFLBME-UHFFFAOYSA-N 434.259 6.316 30 10 IKEE Fc1cccc(C(F)(F)F)c1-c1c(C2CCC2)nn(C(F)(F)F)c1Br 2080760272 LVOYTKVZXHPBQM-UHFFFAOYSA-N 431.149 6.214 30 10 IKEE N#Cc1cnc2c(-c3ccc(C(F)(F)F)c(Cl)c3)c(C3CCCCC3)nn2c1Cl 2081434935 ZAVFWEZJWZAXTM-UHFFFAOYSA-N 439.268 6.641 30 10 IKEE CCOc1ccc(C(F)(F)F)cc1-c1cc(N)n2nc(C3CCCCC3)c(C#N)c2n1 2081443708 GTODGHXTFVOGND-UHFFFAOYSA-N 429.446 5.315 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCCC)c2cc(Cl)cc(Br)c2)C1 2136668325 MOBRHJZEVPQNQK-QGZVFWFLSA-N 443.813 5.757 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCC[C@@]23C[C@@H](CO2)[C@H]31 2144303166 NZBCEGXPCBSOLN-ULQLWLPVSA-N 433.346 5.042 30 10 IKEE CN[C@H](CC#CC1CCCCC1)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2149865999 YOAIPQPFDQXSCQ-HXUWFJFHSA-N 435.406 6.030 30 10 IKEE C=CCC[C@@](C)(CO)N(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1F 2211067309 UPUKMVUZFRKCOL-NDEPHWFRSA-N 445.534 6.298 30 10 IKEE CCN[C@H](C#CP(C)(C)=O)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2218429597 YCQDTMWUUKRYSL-OAHLLOKOSA-N 429.295 5.030 30 10 IKEE Cc1ccc(C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)cc1NC(=O)OC(C)(C)C 2231060088 OTCFRLPLLICQRG-UHFFFAOYSA-N 444.381 5.040 30 10 IKEE Cc1ccc(C#N)cc1NC(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 2243911450 RXIXHAUUSHLNHA-UHFFFAOYSA-N 439.515 5.123 30 10 IKEE C=C(C)CCCC[C@H](NCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2250128150 FOAPKCNZUMYDPQ-JYFHCDHNSA-N 429.649 5.270 30 10 IKEE C=C(C)CCCC[C@@H](NCCC)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2250185505 OJOZOYMCGARJHT-DNQXCXABSA-N 431.665 5.516 30 10 IKEE Cc1cc(C(=O)Nc2ccccc2OCc2ccccc2)sc1B1OC(C)(C)C(C)(C)O1 2267266406 PJFLFOSCHWDJPW-UHFFFAOYSA-N 449.381 5.187 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(OC)c(Br)s1 2278282349 PSMFHBLKDRGDCM-CZUORRHYSA-N 447.439 5.419 30 10 IKEE C=CCCC1(C(=O)Nc2cc(C)c(Br)c(C)c2)CN(C(=O)OC(C)(C)C)C1 2281047692 JFUBKQWCDMSMCY-UHFFFAOYSA-N 437.378 5.208 30 10 IKEE CC(=O)C1=C(c2ccccc2)SC(=C2C(=S)C(C)(C)Nc3c(C)cc(C)cc32)S1 2295464475 KVPVOSZTHPIWLM-UHFFFAOYSA-N 437.655 6.984 30 10 IKEE CN[C@H](C#Cc1ccc(Br)cc1)c1ccc(NC(=O)OC(C)(C)C)c(C)c1 2296288384 GQNMZQDDGSPVJS-HXUWFJFHSA-N 429.358 5.417 30 10 IKEE O=C1NC(=Nc2ccccc2)SC1=Cc1cn(Cc2ccc(F)cc2)c2ccccc12 2297453954 LTFKDVHRYNOPCR-UHFFFAOYSA-N 427.504 5.720 30 10 IKEE O=C1NC(=Nc2ccc(Cl)c(Cl)c2)SC1=Cc1cccn1-c1ccc(Cl)cc1 2313565061 OYCIFFKFZVTZQS-UHFFFAOYSA-N 448.762 6.329 30 10 IKEE COc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2Cl)C3=O)c1 2314438351 PPGVPWJDIVUPEF-UHFFFAOYSA-N 441.266 5.837 30 10 IKEE Cc1ccc(N=C2NC(=O)SC2=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1C 2314482825 XCPFYPZUDAUFLL-UHFFFAOYSA-N 442.462 7.110 30 10 IKEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1ccc(C(C)C)cc1 2314524346 UDAYPOJMEPTXJK-AREMUKBSSA-N 446.591 5.130 30 10 IKEE CCOc1c(C=Nn2cnnc2SCc2ccc(Cl)cc2Cl)cccc1OC 2318571807 STRBWUGKNZTIEG-UHFFFAOYSA-N 437.352 5.167 30 10 IKEE CCCCC[C@H](CC)N1COc2cc(C)c3c(c2C1)OC(=Cc1sccc1C)C3=O 2322075986 BDZSAAUITLFQCI-SFHVURJKSA-N 425.594 6.492 30 10 IKEE CCCCCCCCCCN1COc2c(cc3c(c2C)OC(=Cc2ccccc2)C3=O)C1 2322391072 VKBDCJGTQGHVMK-UHFFFAOYSA-N 433.592 6.904 30 10 IKEE C=C(C)COc1c(Br)cc(Br)cc1C=CC(=O)c1ccccc1 2322545722 YQLBRZXKERAICS-UHFFFAOYSA-N 436.143 6.063 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(F)c(C)c2)c1OCC(=O)Nc1cccc(C)c1 2322638327 SMDXANRCFIASJJ-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)c1 2322799933 QJSVXNYBUPVDBX-UHFFFAOYSA-N 436.847 5.193 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccccc1OCC(=O)N[C@H](C)c1ccccc1 2322845577 OTTPYUMPNRUZAE-OAQYLSRUSA-N 443.543 5.464 30 10 IKEE CCc1ccc(NC(=O)COc2cc(C=CC(=O)c3cccc(Cl)c3)ccc2OC)cc1 2323118322 BJDZUQNKLGDDAQ-UHFFFAOYSA-N 449.934 5.825 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OCC(=O)N[C@@H](C)c1ccccc1 2323168594 LKZULYNURUBLNY-IBGZPJMESA-N 447.506 5.295 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)CCCOc4ccccc4)c3C)C2=O)cc1 2323181900 PLRGGVQSKQZCMU-UHFFFAOYSA-N 428.484 5.684 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O)c1ccc([N+](=O)[O-])cc1Cl 2323302189 VTJINMPLDXBFHR-UHFFFAOYSA-N 439.782 5.223 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(C)c2)cc(OC)c1OCc1ccc(C)cc1 2323580209 KQJRBTMGIXCSHJ-UHFFFAOYSA-N 442.555 6.524 30 10 IKEE COc1ccc(-c2csc(NN=Cc3cc(Br)cc(OC)c3OC)n2)cc1 2323840197 XZRLQDAAFPTIKS-UHFFFAOYSA-N 448.342 5.044 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(F)c2)C3=O)cc1 2323865459 DNLVLLJGKKXBHI-UHFFFAOYSA-N 430.431 5.534 30 10 IKEE C=CCN(CC=C)Cc1c(O)ccc2c1OC(=Cc1cn(CC)c3ccc(OC)cc13)C2=O 2324082596 QPDRGSAMPIWNNS-UHFFFAOYSA-N 444.531 5.166 30 10 IKEE CCCN(CCC)Cc1c(O)cc(C)c2c1OC(=Cc1cn(CC)c3ccccc13)C2=O 2324097311 WVYCMURHHVRXPW-UHFFFAOYSA-N 432.564 5.913 30 10 IKEE CCn1cc(C=C2Oc3cc(OCCc4ccccc4)ccc3C2=O)c2cc(OC)ccc21 2324281608 ILZUCBQFTZIJCA-UHFFFAOYSA-N 439.511 5.908 30 10 IKEE Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2cccs2)C3=O)c(C)c1 2324331997 PNANPZVFPKOMGO-SFHVURJKSA-N 447.556 6.004 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OCc1ccccc1Cl 2324356649 HBJIFBCIEZWDSL-UHFFFAOYSA-N 434.963 7.057 30 10 IKEE CCc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccccc4C)ccc3C2=O)cc1 2324406419 SJKCDBPFVVSXOP-GOSISDBHSA-N 427.500 5.580 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OCC(=O)Nc2nccs2)cc1 2324522543 IDFAUEFTBTZSCY-UHFFFAOYSA-N 442.924 5.027 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 2324522592 PIYDZRVAXRJMGM-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCc1ccc(OCCCOc2cc(C)c3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1 2324662276 OBLJTTYIBOESKC-UHFFFAOYSA-N 448.946 6.675 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)N[C@H](C)c4ccccc4)ccc3C2=O)cc1 2325019501 RXLQWMLTDJGRQA-GOSISDBHSA-N 427.500 5.121 30 10 IKEE Oc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2cccc(Cl)c2)cc1 2325467508 ULWYJQLAZVUBRD-UHFFFAOYSA-N 448.979 5.597 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccc(Cl)cc4)c3C)C2=O)c1 2325513834 FVRQHRXYNBQCBY-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2325532417 LBCJNXSLTPNVRR-UHFFFAOYSA-N 445.932 5.062 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1c(Cl)cccc1Cl 2325604754 AFRRAQSQIFNKNZ-UHFFFAOYSA-N 425.772 5.975 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cccc(OCC)c3)c2)cc1 2325712897 JNXXWMJCZKFINX-UHFFFAOYSA-N 428.528 6.543 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CCCOc2ccc(CC)cc2)nnc1SC 2326287419 GBUKDBFJVDUEBM-UHFFFAOYSA-N 436.581 5.021 30 10 IKEE CCCSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1ccccc1F 2326409433 XIRROVZWKDRZPE-UHFFFAOYSA-N 426.561 5.430 30 10 IKEE CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccc(Cl)c(Cl)c1 2326906645 OWSJOYLPLNQKCV-UHFFFAOYSA-N 449.451 6.338 30 10 IKEE CCCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc(OC)cc1OC 2328075529 YLFAUNXBSUAJPR-UHFFFAOYSA-N 444.988 5.118 30 10 IKEE CSc1nnc(COCc2ccccc2)n1N=Cc1cccc(OCc2ccccc2)c1 2329296844 OSJXCHNMDAGFCY-UHFFFAOYSA-N 444.560 5.178 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2)n1N=Cc1sccc1C 2329486424 GNYNZHWGTPSHSU-UHFFFAOYSA-N 432.618 5.916 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3F)n2N=Cc2sccc2C)cc1 2329700910 SCTSSNMCJLNKNS-UHFFFAOYSA-N 436.581 5.861 30 10 IKEE Cc1ccc(C=Nn2c(COc3ccccc3)nnc2SCc2cc(C)ccc2C)cc1 2329919064 CDEVZVUGICFYFL-UHFFFAOYSA-N 442.588 5.957 30 10 IKEE Cc1ccsc1C=Nn1c(COc2ccccc2)nnc1SCCc1ccccc1 2329919367 HURBMGSFJSVBHG-UHFFFAOYSA-N 434.590 5.444 30 10 IKEE C=C(C)CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1c(OC)ccc2ccccc12 2330101658 CMNANIGFINYJFR-IBGZPJMESA-N 442.588 6.142 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1cccc(C)c1 2330642733 NDZRLCLEUQZDKK-UHFFFAOYSA-N 431.444 5.417 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccc(CC)cc2)cc1 2330740759 UJANZBGLGUWRNT-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)ccc1OC(=O)Cc1ccc(C)c(C)c1 2330949345 AKZNLXHLAPXQJE-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE CCOc1ccc(C=Nn2c(SCCc3ccccc3)nnc2-c2ccco2)cc1OC 2331212502 FZONDYUCNBEOPT-UHFFFAOYSA-N 448.548 5.162 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)c1cccc2ccccc12 2331330003 IXEZCTQUKOXOGU-UHFFFAOYSA-N 436.507 6.581 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)c3cc4ccccc4n3C)c(Cl)c2)ccc1F 2331337765 YUVGHZUFOIZTJX-UHFFFAOYSA-N 447.893 6.395 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2ccc(C(C)C)cc2)c1 2331376786 VKTGQSAVTPOPJC-UHFFFAOYSA-N 449.624 5.620 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)CC3CCCCC3)c(OC)c2)c1 2331393901 HAHBGXKMTPHKMV-UHFFFAOYSA-N 438.520 5.484 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3ccc(C=CC(=O)c4ccc5c(c4)OCO5)cc3)c(C)c2c1 2331434405 VZZRHRGBNKQZQT-UHFFFAOYSA-N 439.467 5.629 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(CC(C)C)nnc2SCc2ccc(F)cc2)cc1 2331434758 WNJKGFILSDBWTR-UHFFFAOYSA-N 439.604 5.636 30 10 IKEE CC(C)Cc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(F)cc1 2331461708 IFPSKVUDIOEKME-UHFFFAOYSA-N 437.371 6.097 30 10 IKEE CC(C)Cc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccccc1[N+](=O)[O-] 2331470896 UVFVYHQDFORZOK-UHFFFAOYSA-N 429.933 5.213 30 10 IKEE CCCSc1nnc(C2CCC2)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2331534513 UCRWITSFTCWESI-UHFFFAOYSA-N 441.000 6.162 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccc(F)cc2)cc1OC 2331540078 DJCMFIWFMDLYAJ-UHFFFAOYSA-N 434.463 5.277 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1sccc1C 2331653617 KGYFNVMMGBIWBL-UHFFFAOYSA-N 448.584 6.804 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3)cc2)c2ccccc12 2331866069 WKVYPVGVCUASQG-UHFFFAOYSA-N 436.507 6.283 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)ccc1OC(=O)CCOC 2331869696 QHDBWMSRBMBSIF-UHFFFAOYSA-N 434.488 5.085 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Cl)cc(Br)c1F 2337107796 XNYKEWPOZZOXQF-WBVHZDCISA-N 447.776 5.199 30 10 IKEE CC[C@@H](C)[C@H](COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339578288 FCHGBUTWATYSAF-WXVNRZFOSA-N 446.397 5.044 30 10 IKEE Cc1sc(Br)cc1C(=O)N1CC(B2OC(C)(C)C(C)(C)O2)=CCC1(C)C 2362496790 OENZZLNAZUIBOZ-UHFFFAOYSA-N 440.212 5.001 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(OCC)cc2)cc1 5927244 AJLBCDOZPIQFLH-DEOSSOPVSA-N 443.499 5.267 30 10 IKEE CCOc1ccc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 9805303 SDHHXLUJMMYDQT-JRPXNJEYSA-N 446.550 6.701 30 10 IKEE CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(CC)sc1SCC 9982600 BSSAIYMLNNQSCM-LJQANCHMSA-N 433.639 5.590 30 10 IKEE N#Cc1cnn(-c2ccc3ccccc3n2)c1NC(=O)/C=C/c1ccc(Cl)cc1Cl 12238752 DVIRCDLTADVTTR-JXMROGBWSA-N 434.286 5.251 30 10 IKEE Cc1cccc(NC2=C/C(=N\S(=O)(=O)c3cc(C)c(C)cc3C)c3ccccc3C2=O)c1 12620832 HSIDQRIZCQLRKF-WEMUOSSPSA-N 444.556 5.291 30 10 IKEE O=C(CCSc1nnc(NN=C2CCCCCC2)[nH]1)Nc1cccc(C(F)(F)F)c1 20837829 ZVCMCIFQYGMULF-UHFFFAOYSA-N 440.495 5.067 30 10 IKEE CN(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(O)cc2)cc1 21230306 PSLLQZKSDIXQCE-PPHZAIPVSA-N 425.532 5.438 30 10 IKEE COc1ccc(OC)c([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1 21251557 XVDKIPSPRWOPMI-ODCWNRFASA-N 432.545 5.745 30 10 IKEE CCCn1cc(CN/C(=N/C(=O)c2ccc(C)c(F)c2)Nc2ccc(C(C)C)cc2)c(C)n1 32972923 GUTFSFWULMNRDW-UHFFFAOYSA-N 449.574 5.571 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O)c1ccccc1Br 33367747 MYDWZNQAZDRRAZ-MIAABOGCSA-N 447.284 5.841 30 10 IKEE C[C@@H](Sc1cc(/C=C\c2ccc(Cl)cc2)c(C#N)c2nc3ccccc3n12)C(=O)O 33481397 RXRSUOZBWZZOHT-DEBLGDTFSA-N 433.920 5.748 30 10 IKEE COc1ccc(C(=O)/C=C\c2ccc(OC(=O)N(c3ccccc3)c3ccccc3)cc2)cc1 33689569 XSJPPSIEMSOJIA-STZFKDTASA-N 449.506 6.928 30 10 IKEE O=C1/C(=C\c2cccc(Br)c2)Oc2cc(OC(=O)C3CCCCC3)ccc21 33914401 HJRFXIZPQPKQKE-UDWIEESQSA-N 427.294 5.551 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Br)cc3)cc2)cc1 34954737 PXRSRSNWNTWODT-SYZQJQIISA-N 437.289 5.573 30 10 IKEE C[C@@H](Nc1oc(-c2ccc(OCc3ccccc3Cl)cc2)nc1C#N)c1ccccc1 39841538 UHPWXCGGOULFSY-QGZVFWFLSA-N 429.907 6.619 30 10 IKEE C=CCN1C(=O)c2[nH]nc(-c3cc(Cl)ccc3O)c2[C@H]1c1cccc(OCCCC)c1 39898683 YYFXXCIPYIFBEI-HSZRJFAPSA-N 437.927 5.346 30 10 IKEE Cc1ccc(CN2COc3c(cc4c(c3C)O/C(=C\c3ccc(C(C)C)cc3)C4=O)C2)cc1 41587201 ZUMZXHGJXGXQPJ-ZMFRSBBQSA-N 439.555 6.395 30 10 IKEE Cc1cc(C)c(/C(CSc2nc3ccccc3o2)=N\Nc2cccc([N+](=O)[O-])c2)cc1C 59460566 MEPAANRJUFADPM-QYQHSDTDSA-N 446.532 6.270 30 10 IKEE C=C1C[C@@H]2[C@@H]3CC(C)=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]2(C)[C@@]1(OC(C)=O)C(C)=O 71770180 PBCULPOTNCGYFY-UBPRDLTHSA-N 442.596 5.328 30 10 IKEE CN1C(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)S/C1=N/c1cccnc1 101124618 IYNXXYVDQKBJGB-DISDYRDVSA-N 435.936 5.548 30 10 IKEE O=C1C(=O)N(c2nccs2)[C@H](c2ccc(Cl)cc2)/C1=C(/O)c1cc2ccccc2o1 102909675 MVZFIDBCXKXFHX-LYHOESIGSA-N 436.876 5.169 30 10 IKEE CC1(C)[C@@H]2CC[C@]1(C)/C(=N\N=C1/NC(=O)/C(=C\c3ccc(Br)cc3)S1)C2 103145768 OSOWLGLZNFHGQW-IWAHJRAOSA-N 432.387 5.211 30 10 IKEE Cc1ccc(-c2csc(-n3nc(C)c([C@H](c4ccccc4)C(C#N)C#N)c3O)n2)cc1 105573012 BSMNAPUMADGUAY-JOCHJYFZSA-N 425.517 5.114 30 10 IKEE COc1ccc(C(=O)/C=C\Nc2ccc(N/C=C/C(=O)c3ccc(OC)cc3)cc2)cc1 109006310 LHEGFAUWEYPCOX-JRDMOELTSA-N 428.488 5.321 30 10 IKEE CCCCCCCCNC(=O)C[C@@H]1S/C(=N/N=C2/CCCc3ccccc32)N=C1O 137061563 VLVBZRYNNIFOTE-PJVCEZMGSA-N 428.602 5.022 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccc(OC)cc2)c1 169922743 UDYDHRIVZAOQBF-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C)c(C)c2)c1 169932686 BSGZSWNSUAEDIA-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1cccs1)c1cccc2ccccc12 169985803 WJCFEIIUYNLRLY-QFIPXVFZSA-N 445.927 6.338 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccncc1 170019410 DFBSYIBRZUCKDP-HXUWFJFHSA-N 439.298 5.480 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cccc(OCC)c3)=C(O)C(=O)N2c2ccccc2)cc1 170028682 LPGFQGJBFJBWBI-DEOSSOPVSA-N 443.499 5.267 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(O)c(Cl)c2)s1 170042415 QBZYXGGKSOUTQF-SFHVURJKSA-N 446.956 5.030 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(O)c(Cl)c1)c1cccc2ccccc12 170043961 JGSZTIWPFFGMEJ-HSZRJFAPSA-N 447.918 5.720 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2c[nH]c3ccccc23)cc1C 170074763 LQHHZXYHODGTGH-XMMPIXPASA-N 438.483 5.273 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(OC)cc2)cc1C 170113632 QKWMLBKOTNKAHH-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc(O)cc1)c1ccc2c(c1)CCCC2 170131269 VFFWVHGDHRBPDY-XMMPIXPASA-N 443.474 5.193 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(O)cc2)c1 170135526 JPUJZCFIWDDUDN-QHCPKHFHSA-N 435.520 5.090 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2cccs2)c1 170158301 FCKMVDJWKLAPBK-JOCHJYFZSA-N 433.529 5.547 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccs2)cc1 170159260 BLOZSMHABXMJDE-QHCPKHFHSA-N 447.556 6.100 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccccn2)c1 170170283 FFRFXIUVIBFVNA-RUZDIDTESA-N 434.495 5.635 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccc2)c1 170222646 NTCYHSSADPXYKH-HSZRJFAPSA-N 431.463 5.397 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(F)cc2)ccc1Cl 170242165 BQRUJVKSDZPTQY-OAQYLSRUSA-N 443.902 5.399 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2C)cc1C 170272567 NWOJBSSRROZOKY-RUZDIDTESA-N 441.527 5.793 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2cccc(Cl)c2)o1 170303493 LFUYIBTXDGUSAD-HXUWFJFHSA-N 425.843 5.472 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1c1ccccc1O 170314588 LWPBSOXWPDRMCM-QFIPXVFZSA-N 441.508 5.698 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2sccc2C)cc1 170315313 ASFVVFOKWYKPCC-ZHRRBRCNSA-N 445.540 5.471 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(Cl)cc(Cl)c2)[C@H]1c1ccc(F)cc1)c1ccncc1 170377131 IXIDIDJBGCRWMN-IBGZPJMESA-N 443.261 5.310 30 10 IKEE N#Cc1c(NC(=O)c2ccc(Cl)c(Cl)c2)oc(-c2ccccc2)c1-c1ccccc1 170522100 YQVGESOCNYBPAT-UHFFFAOYSA-N 433.294 7.044 30 10 IKEE C=C1CCc2c(c3cc(Cc4ccc5c(c4)c4c(n5C)CCC(=C)C4=O)ccc3n2C)C1=O 205724764 DYWACPBCIYCBMH-UHFFFAOYSA-N 434.539 5.631 30 10 IKEE COc1ccc(Br)c(C=Nc2ccc3oc(-c4ccccc4F)nc3c2)c1O 252635884 XBBPKCDGNMQZIT-UHFFFAOYSA-N 441.256 5.861 30 10 IKEE C=C(C)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@H]4[C@]5(C)CC[C@H](O)[C@](C)(CO)[C@H]5CC[C@@]43C)[C@H]12 253591491 RFCPTXGFYWKJJB-UCIRJETHSA-N 442.728 6.997 30 10 IKEE CCSc1nnc(C(F)F)n1N=Cc1ccc(COc2ccc(Cl)c(C)c2)o1 254305202 FXRQDCQTUQKCFA-UHFFFAOYSA-N 426.876 5.344 30 10 IKEE COc1ccc(OCCOc2ccc(C)cc2C=NNC(=S)Nc2ccc(C)cc2)cc1 254316638 FAOSIBGJULEPAV-UHFFFAOYSA-N 449.576 5.090 30 10 IKEE CC(C)(C)c1ccc(-c2nc3cc(N=C/C=C/c4ccc([N+](=O)[O-])cc4)ccc3o2)cc1 254381953 XOMLDDQMPKXUBC-WVQLJESZSA-N 425.488 7.116 30 10 IKEE Cc1cc(C)nc(NN=Cc2cn(-c3ccccc3)nc2-c2ccc(-c3ccccc3)cc2)n1 254506675 XXTIGLASAZNJKB-UHFFFAOYSA-N 444.542 6.059 30 10 IKEE COc1cccc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)c1OC 526515040 HIMBDIICVWSSPJ-JOCHJYFZSA-N 446.890 5.286 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(C)o2)cc1OCC 526606808 JDYUUUZOCGVTFQ-XMMPIXPASA-N 444.487 5.314 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2ccc(OCc3ccccc3)cc2)[C@H]1c1ccco1 526610054 VMQNQLVWINQGNG-AREMUKBSSA-N 448.478 5.787 30 10 IKEE N#Cc1ccc(NC2=C(Sc3ccccc3)C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 526657328 FFRCTEQTEMALOY-UHFFFAOYSA-N 431.904 5.201 30 10 IKEE CC(C)Oc1ccccc1[C@@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1ccc(Cl)cc1 526711263 ZLTCRZRWCROKPT-HSZRJFAPSA-N 447.918 5.910 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1OC 526772411 IIAGRDYIINTCJE-JOCHJYFZSA-N 449.890 5.140 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(F)c2)cc1OC 526775375 LZRPBAUGGJKJRZ-QHCPKHFHSA-N 447.462 5.016 30 10 IKEE CCN(Cc1ccccc1)c1ccc(/C=N\n2c(C)nnc2SCc2ccccc2)cc1 526800199 VBENPOPBLXOGDN-IMRQLAEWSA-N 441.604 5.788 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1cccc(OC(C)C)c1 526817612 QJVITOPCVOPLSI-MSXFZWOLSA-N 432.952 5.595 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@H](C)C1 698442482 MRXFEXAEKFTGHY-OSPHWJPCSA-N 445.560 5.118 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2ccc(Br)c(F)c2)c1 698474342 FCIZOQGGWPKRHD-SFHVURJKSA-N 435.293 5.603 30 10 IKEE CC(C)[C@@H]1CC(CC/N=C\c2ccc(N(C)C)cc2)(c2ccc(F)cc2)C[C@@H](C(C)C)O1 1081776259 WDVYMEQCQYFSKG-ZDRRMFTJSA-N 438.631 6.498 30 10 IKEE COc1ccc2ccccc2c1C=Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 1083898724 GONBGFIJNFLBJB-UHFFFAOYSA-N 444.556 5.420 30 10 IKEE C[C@@H](Sc1n[nH]c(NN=Cc2cccc(Cl)c2Cl)n1)c1nnc(C2CCC2)o1 1084569952 JOGGXKZICWRIPO-SECBINFHSA-N 438.344 5.061 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=Nc1cccnc1 1772731157 IWTYAKITNIYQRX-NAAAPUFRSA-N 444.343 6.272 30 10 IKEE COc1ccc(/C(C)=C2/SC(=Nc3cccnc3Cl)N(c3ccccc3)C2=O)cc1 1772732263 DBFNSLYGKSHSOS-SUYASHRRSA-N 435.936 5.942 30 10 IKEE C=CCOc1ccccc1/C=C1/SC(=Nc2cccnc2Cl)N(c2ccccc2)C1=O 1772736626 YUJHOPSDVMIXGB-QFOSJIQNSA-N 447.947 6.108 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=Nc1cccc(C(=O)O)c1 1772739983 XQHOITCUPSUYQG-VLTWACRQSA-N 438.892 5.532 30 10 IKEE CCCCCCCCn1cc(OCC(=O)Nc2ccccc2C(C)C)c(=O)cc1C(=O)O 1857889955 BSQNNXGEPHNSHS-UHFFFAOYSA-N 442.556 5.048 30 10 IKEE CCCCCCCCCCn1cc(OCc2ccc(C(C)(C)C)cc2)c(=O)cc1C(=O)O 1857890747 BLNDHVMDFAEIJS-UHFFFAOYSA-N 441.612 6.564 30 10 IKEE N#Cc1ccc(NC(=O)C2CCN(C(=O)c3c(Cl)ccc(Cl)c3Cl)CC2)cc1 1859117135 PCFWDZHYXAXBFR-UHFFFAOYSA-N 436.726 5.009 30 10 IKEE N#Cc1c(NC(=O)CSc2nc(-c3cccc(Cl)c3)cs2)sc2c1CCCC2 1860818670 AMRYFGVVLYKCMU-UHFFFAOYSA-N 446.022 6.006 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)Cc1ccc(Cl)cc1 1861133340 MCTXMEBQQYMHCI-HSZRJFAPSA-N 446.994 5.226 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](C)NC(=O)COc1cc(C)c(Cl)c(C)c1 1861633169 WXHBEJMVFLGTKI-LJQANCHMSA-N 425.013 5.097 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@H](C)CC)cc1 1862421202 FJUVHMIZCVJMLR-IVZQSRNASA-N 443.490 5.521 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@@H]1c1cccc(F)c1)c1ccccc1Cl 1862431448 HOHJHRYYFXTPCS-HSZRJFAPSA-N 449.909 5.690 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CCCCCC2)c1 1862431841 POCKUMWWKPOJQO-QFIPXVFZSA-N 439.939 5.650 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(Cl)cc1)c1c(F)cc(F)cc1F 1862458706 TYJQAAJPDUGSKF-FQEVSTJZSA-N 449.856 5.668 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(Cl)c(Cl)c1 1862466786 ATZNOJPAUKCATB-INIZCTEOSA-N 430.209 5.009 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC(C)C)cc1OCC 1862485259 YXXIUGZWZIEXTF-QHCPKHFHSA-N 437.536 5.027 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2C2CCCC2)c1 1862511016 LJFWNGJOVHZUDS-HSZRJFAPSA-N 437.511 5.444 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccccc2Cl)cc1 1862516853 YSBQFNPXBIEHMW-QFIPXVFZSA-N 441.955 5.753 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862532148 CKLMRYLTTIYFRN-VWLOTQADSA-N 447.575 5.949 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1cccc(C)c1 1862533761 OIHCRGZSQBHQIV-XMMPIXPASA-N 435.564 5.343 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(Cl)cc1 1862548587 VWRZFJDJRUQROX-QHCPKHFHSA-N 437.967 5.843 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1cccc(Cl)c1 1862569413 MHMPQCQODKCRAX-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1Cl)c1cccc2ccccc12 1862653220 OUUWWSBYSUOQIZ-HSZRJFAPSA-N 443.886 5.865 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1c(F)cccc1Cl)c1cccc2ccccc12 1862654318 ZBMKJUXLEJHUNB-HSZRJFAPSA-N 449.909 6.153 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C(C)C)cc3)[C@@H]2c2cccc(O)c2)c1 1862661057 CGHKLUIRXGJYCO-VWLOTQADSA-N 441.527 5.603 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc2c(c1)CCCN2C 1862722123 VXHNDVGSJDHXEY-VWLOTQADSA-N 440.543 5.211 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2C2CCCCCCC2)c1 1862736871 PLHNMCBRDQRFEN-QHCPKHFHSA-N 448.519 5.594 30 10 IKEE N#Cc1ccc(NC2=C(c3cccc4ccccc34)C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 1862843936 NDIZJIZBGNIHSH-UHFFFAOYSA-N 449.897 5.761 30 10 IKEE Cc1ccc(C)c(NC2=C(c3c[nH]c4ccccc34)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1863129201 BNIMWFJOUORMQA-UHFFFAOYSA-N 432.483 5.053 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccccc2F)=C(c2ccc(F)c(C)c2)C1=O 1863791964 PPYHXVQCNNKJOZ-UHFFFAOYSA-N 440.534 5.503 30 10 IKEE CC[C@H]1Cc2cc(OC)ccc2N(c2cc(Nc3cccc(C#N)c3)nc(C(C)(C)C)n2)C1 1868333435 JRLAZDNLDWVRQM-SFHVURJKSA-N 441.579 6.118 30 10 IKEE CC(C)(C)c1nc(Nc2ccc(C#N)cc2)cc(N2CCC[C@@H](Oc3ccccc3)C2)n1 1868355330 GHMHWPJLDJANBM-JOCHJYFZSA-N 427.552 5.437 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N(CC)CCc2ccncc2)nn1C(C)(C)C 1870029389 JYXGNFVQOAUPMB-UHFFFAOYSA-N 428.625 5.186 30 10 IKEE CCCCCCCCCCNC(=O)c1cn(-c2ccc(Cl)c(Cl)c2)c(=O)cc1O 1870133023 IDGMEVBPQQIUGC-UHFFFAOYSA-N 439.383 5.720 30 10 IKEE CCCCCCCOc1cn(CCc2ccc(F)cc2)c(CN(C)CCCC)cc1=O 1870412816 JNKSUHRDXZMMJK-UHFFFAOYSA-N 430.608 5.811 30 10 IKEE CCCCCCCCn1cc(OCC2CCCCC2)c(=O)cc1CN1CCC[C@H](C)C1 1870482698 FMMJJWWGOIDGEX-QHCPKHFHSA-N 430.677 6.400 30 10 IKEE C=CCOc1cn(Cc2ccccc2Cl)c(CNc2cccc(C(F)(F)F)c2)cc1=O 1870809997 GPXOJMSEWRJNPU-UHFFFAOYSA-N 448.872 5.746 30 10 IKEE CCCCCCCOc1cn(CCCCCC)c(CNc2ccc(OCC)cc2)cc1=O 1870839364 JNVZAVNOBCQHSO-UHFFFAOYSA-N 442.644 6.789 30 10 IKEE CCOc1ccc(CC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(CC)cc2)C3=O)cc1 1871374592 SIXNGQIZZQWGIX-MYYYXRDXSA-N 442.511 5.720 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)Cc4cccc5ccccc45)cc(C)c3C2=O)cc1 1871376244 AVQXCIOULMPFCJ-YUMHPJSZSA-N 448.518 6.475 30 10 IKEE COc1ccc(/C=C2\Oc3c(CN(C)C4CCCCC4)c(O)cc(C)c3C2=O)c(OC)c1 1871393350 GEZUPCGVVHZWLO-QRVIBDJDSA-N 437.536 5.099 30 10 IKEE Cc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871403880 CANFTKXARHVNFR-PKFJFBDISA-N 441.527 6.141 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871409164 YSNOEQGRDIIMPQ-WGGCHOPXSA-N 439.511 5.882 30 10 IKEE CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)c1 1871426753 XNGFZXVSQYAFDU-VJLQILQTSA-N 445.446 5.051 30 10 IKEE Cc1cc(OCc2cccc3ccccc23)cc2c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O2 1871434634 SYEFULKISPGYLC-QRQIAZFYSA-N 448.562 7.641 30 10 IKEE CC(C)c1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871435651 WVOVKUDMWAJZNM-CFRMEGHHSA-N 431.463 5.583 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)Nc2nc3ccccc3s2)cc2c1C(=O)/C(=C/c1ccco1)O2 1871439978 TXKRKNYQHKVVQG-KVMVOAJRSA-N 446.484 5.220 30 10 IKEE Cc1c(OCC(=O)Nc2ccccc2F)ccc2c1O/C(=C\C=C\c1ccccc1)C2=O 1871460134 XFJZMDWPPRODKT-LZNIEJQKSA-N 429.447 5.324 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccccc1C)S(=O)(=O)c1cc(C)ccc1C 1872407394 NHHQTWAYWNBTSH-HSZRJFAPSA-N 442.625 5.232 30 10 IKEE C=C(C)CN([C@H](CC)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1872450704 JEUQZVKZKYNLPV-JOCHJYFZSA-N 449.016 5.448 30 10 IKEE COc1ccccc1-c1csc([C@@H](C#N)C(=O)COc2ccc(Cl)cc2Cl)n1 1872766424 GJYKPTLIKSAAIS-AWEZNQCLSA-N 433.316 5.381 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@@H](C#N)C(=O)Cc3ccccc3Cl)n2)c1 1872780466 IYASBFSPQMFPHU-SFHVURJKSA-N 440.952 5.680 30 10 IKEE COc1cc(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)cc3)n2)c(OC)cc1Cl 1872783039 QCGHHLJNUZDMGJ-CQSZACIVSA-N 433.316 5.624 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(C(C)C)cc3)n2)c(OC)c1 1872783804 IEGFHEZKJYIFRK-JYNAJPCDSA-N 432.545 5.840 30 10 IKEE Cc1ccccc1OCCCC(=O)[C@@H](C#N)c1nc(-c2cc(C(C)(C)C)ccc2C)cs1 1872785508 OQBPJQZIBFFFNN-JOCHJYFZSA-N 446.616 6.760 30 10 IKEE N#C[C@H](C(=O)c1cccc(Oc2ccccc2)c1)c1nc(-c2ccc(Cl)s2)cs1 1872789361 GWBLMFWKUBJHHO-QGZVFWFLSA-N 436.945 6.807 30 10 IKEE C=CCc1ccccc1OCc1ccc(C(=O)Nc2ccc(C(=O)OCCC)cc2)cc1 1872859581 XNXVDZPHAOVRCX-UHFFFAOYSA-N 429.516 5.813 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H](C)c2ccccc2)=C(c2cccc(OC)c2)C1=O 1873046774 OJFNAXOYPGDFAM-FQEVSTJZSA-N 434.580 5.486 30 10 IKEE CCCCCCCCN1C(=O)C(NC2CCCCCCC2)=C(c2ccccc2OC)C1=O 1873153404 ZPIOIYVKTDXQBR-UHFFFAOYSA-N 440.628 5.838 30 10 IKEE CCCCCCCCCCN=c1nc2c(cnn2-c2ccc(C)cc2)c(N2CCCCC2)[nH]1 1873489835 SXVNLJITCCIDAV-UHFFFAOYSA-N 448.659 6.089 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(C)c(C)c1)n2Cc1ccco1 1873663018 SIAMHXBJVNSFJW-UHFFFAOYSA-N 441.535 5.120 30 10 IKEE CCCCCCCCNC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccccc2)N1C(C)=O 1873891663 JHWFEAUMMYOCRX-VPUSJEBWSA-N 445.607 5.507 30 10 IKEE C=CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1cc(C)ccc1O 1874218145 XEOVRQUZDUCJFT-WYMPLXKRSA-N 442.972 5.302 30 10 IKEE CCCSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1sccc1C 1874226417 JLXIKJQDGURHNI-HZHRSRAPSA-N 428.627 5.661 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(COc2ccc(Cl)cc2)nnc1SCC 1874263373 VDCBEIPTFMFHBV-OEAKJJBVSA-N 428.945 5.070 30 10 IKEE Cc1cccc(CSc2nnc(COc3cccc(C)c3C)n2/N=C/c2cccnc2)c1 1874321759 IFPAXZLUIRUCTO-JFLMPSFJSA-N 443.576 5.352 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1cccc(OCCC)c1 1874329777 FGYHVNUSETVVTP-WPWMEQJKSA-N 448.636 6.019 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2cccc(O)c2)cc1C 1874357778 YMDMXEFDGWFNSU-JVWAILMASA-N 442.588 5.674 30 10 IKEE Cn1cccc1/C=N/n1c(SCc2ccccc2F)nnc1-c1ccccc1Cl 1874367880 IWTFHMUGRSXJRC-ZMOGYAJESA-N 425.920 5.251 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3Cl)n2/N=C/c2ccncc2)cc1 1874389159 JHKNWKGWPDQOCP-CVKSISIWSA-N 433.968 5.400 30 10 IKEE CCCSc1nnc(-c2cccs2)n1/N=C/c1cc(Br)ccc1F 1874423945 NFWQBBODWCCXLN-VXLYETTFSA-N 425.352 5.293 30 10 IKEE Oc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2-c2cccs2)c1 1874424684 XURGGAPLPQRHHF-WSDLNYQXSA-N 426.954 5.540 30 10 IKEE CCSc1nnc(C(C)(C)C)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874482240 LUOBYGRVXBMDMY-ZVHZXABRSA-N 428.989 5.802 30 10 IKEE CCOc1cc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2C(C)(C)C)ccc1O 1874484054 CMOUKWBPNGDYJF-AFUMVMLFSA-N 438.597 5.471 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(Cl)cc1 1874485189 IPWQNDYYIJBXRL-CVKSISIWSA-N 434.996 6.557 30 10 IKEE COc1cccc(/C=N/n2c(CC(C)C)nnc2SCc2cccc3ccccc23)c1O 1874490907 QIQRQVRQKPJOAF-CVKSISIWSA-N 446.576 5.519 30 10 IKEE C=CCSc1nnc(CC(C)C)n1/N=C/c1ccc(OCCCCC)c(OCC)c1 1874490910 QLITUMRFBRBPAK-JJIBRWJFSA-N 430.618 5.605 30 10 IKEE CCCSc1nnc(C2CC2)n1/N=C/c1ccc(OCc2ccc(C)cc2)c(OC)c1 1874520571 KTIVVCLYQNAKKA-MFKUBSTISA-N 436.581 5.436 30 10 IKEE CCCOc1ccccc1/C=N/n1c(CC)nnc1SCc1cccc2ccccc12 1874526183 SJXJAAAOLVCBMF-YZSQISJMSA-N 430.577 5.957 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 1874571579 VGBGBKOLDLMPTG-CSKARUKUSA-N 428.271 6.377 30 10 IKEE O=C(/C=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12)c1ccc2c(c1)OCCO2 1874581895 LLGYSPZONGTQHQ-VAWYXSNFSA-N 440.470 6.225 30 10 IKEE CCCOc1ccc(Br)cc1/C=C/C(=O)c1cc(OCC)ccc1OCC 1874585998 QNRDTSFRRZNOBE-JXMROGBWSA-N 433.342 5.931 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2c(C)cccc2C)cc1C 1874588066 SLJKQOSMSXBMNX-ZRDIBKRKSA-N 447.962 6.487 30 10 IKEE COC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1cc(Cl)c(OC)c(Cl)c1 1874590299 DAWRGULERLFDIV-CMDGGOBGSA-N 445.298 5.603 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OCc1c(F)cccc1Cl 1874595207 ZITVXPQDSMQSFB-VZUCSPMQSA-N 441.842 5.871 30 10 IKEE CCc1ccc(NC(=O)COc2cccc(/C=C/C(=O)c3ccc(OC)c(C)c3C)c2)cc1 1874598436 LWXBUOHORDARML-RVDMUPIBSA-N 443.543 5.788 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2cccc(/C=C/C(=O)c3c(C)cc(C)cc3C)c2)c1 1874600120 UUYBFLNTHOQRKG-MDZDMXLPSA-N 427.544 6.142 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1 1874637641 KGWKIESDPHJWEN-KPKJPENVSA-N 434.363 5.917 30 10 IKEE O=C(Oc1cccc(/C=C/C(=O)c2ccccc2Cl)c1)c1ccc(-n2cccc2)cc1 1874697203 WJXDAHACXYCJSH-XNTDXEJSSA-N 427.887 6.246 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(CC)cc3)c2)cc1 1874701217 HJIJUMAFXHSRFD-LZYBPNLTSA-N 430.500 5.772 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2[N+](=O)[O-])c1 1875087595 BRGWHVHHOFGAQY-SOFGYWHQSA-N 446.415 5.235 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC(=O)c1ccccc1Cl 1875122212 IHDKHOWDMNYCAL-YRNVUSSQSA-N 442.845 6.132 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(F)c(F)c1 1875125332 CWUQCSZEWORCSW-QDEBKDIKSA-N 442.845 6.132 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)[C@H]3CCCO3)c(OC)c2)cc1 1875136390 MOELLOIZRWCYBF-VWMRQFFHSA-N 444.911 5.118 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(C)c([N+](=O)[O-])c1 1875136993 QLGDBLWDHWRJAY-MDWZMJQESA-N 445.471 5.726 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3)c(Br)c2)c1 1875139539 NDRNQFAGRJLVBN-ZRDIBKRKSA-N 449.344 6.110 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccc(C)c(C)c1 1875150207 BNAPZWWOTSDEBJ-OVCLIPMQSA-N 442.555 6.725 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)c1cccc(F)c1 1875160013 VZCAMBZCNITTKZ-IZZDOVSWSA-N 442.845 6.132 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1C 1875174954 QXZSJQAJHYSIOL-IZZDOVSWSA-N 449.890 5.909 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccs3)c(Cl)c2)c(OC)c1 1875178282 BTXJZRGCWZPFNN-WEVVVXLNSA-N 428.893 5.534 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)ccc1OC(=O)[C@@H]1CCCO1 1875181627 PCBGQNVBULGTNT-OEAKIKGJSA-N 444.911 5.036 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc(Br)c1OC(C)=O 1875185049 DXGOQTTYRMOBIJ-CSKARUKUSA-N 445.353 5.885 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)ccc1OC(=O)CC(C)(C)C 1875192722 YRHSXWBOYPXQDG-SDNWHVSQSA-N 446.543 6.485 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N1CCC[C@@H](C)C1)n2CCCC 1875213199 WJTRVPIJDZVGCL-HXUWFJFHSA-N 427.637 5.876 30 10 IKEE C#CCCCC[C@@H](NC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875651791 PQNSADVRZSCAGY-GGXMVOPNSA-N 443.587 5.660 30 10 IKEE C#CCC[C@H](NCCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875661269 NIDPKOQCHDLDIV-LITSAYRRSA-N 443.587 5.660 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](Cc2cccc(Br)c2Cl)NCC)C1 1892685370 YWILAHQZUOZZTK-MRXNPFEDSA-N 443.813 5.237 30 10 IKEE C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1934339391 ZYJBRPMCBOVOKO-VXKWHMMOSA-N 433.596 5.474 30 10 IKEE CC(C)(C)OC(=O)NCC1CC(C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)C1 1937322355 GAVQPCHOGXSKJO-UHFFFAOYSA-N 435.952 5.279 30 10 IKEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1953290266 SXFPPKCQCKFGDR-CPJSRVTESA-N 443.588 5.353 30 10 IKEE CN(C(=O)OC(C)(C)C)C1CCC(C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)CC1 2002574710 VCBBIFBYGVWYNJ-UHFFFAOYSA-N 429.561 5.500 30 10 IKEE C=CCCCCCCCC[C@H](NC)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2026309608 GVILAKLBVKTPMZ-ZEQRLZLVSA-N 432.649 5.991 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2032218610 YREZQXYRRWLCEL-XDHUDOTRSA-N 447.551 5.544 30 10 IKEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@H](C#N)c1ccc(Cl)c(Br)c1F 2036363152 SVAAXHYSRCORBG-SNVBAGLBSA-N 445.638 5.606 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCC(C)(C)N(C(=O)OC(C)(C)C)C2)cc1 2038518499 DFSVSGBTBJWBIX-VWLOTQADSA-N 443.588 5.808 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)cn1 2050051441 ADZRYRDYHYNBCD-LJQANCHMSA-N 444.576 5.953 30 10 IKEE CCc1ccc([C@H](n2nc(C3(C)CC3)c(C#N)c2I)C2(C)CC2)cc1 2079090531 NULVDLWSMYNCIG-SFHVURJKSA-N 445.348 5.363 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(Cc2ccccc2)C(C)(C)C1 2079261817 DGZYPZNQOXLEFL-MHZLTWQESA-N 433.596 6.074 30 10 IKEE CC(C)[C@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C2CCC2)c(C#N)c1Br 2080004228 XNOVTYVRGZFPSQ-QGZVFWFLSA-N 444.270 6.188 30 10 IKEE Fc1ccc(C(F)(F)F)c(-c2c(C(F)(F)F)nn3c(Cl)c4c(nc23)CCCC4)c1 2081478218 LCRVTXQGDODURC-UHFFFAOYSA-N 437.746 6.105 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Cl)cc(Br)c1 2081555145 NCWGVVSBKCTJFX-SJORKVTESA-N 431.802 5.613 30 10 IKEE N#Cc1ccc(N(C(=O)C2CCCCC2)[C@@H](C(=O)NC2CCCCC2)c2ccccn2)cc1 2087920432 MHOYNSUEKGMYAR-RUZDIDTESA-N 444.579 5.057 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CC[C@@H]2[C@H](C1)C2(F)F 2090783811 BMUCGFSJSILUTP-RVKKMQEKSA-N 427.289 5.518 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Br)c(Cl)c1F 2102884540 VUVHIAMMZLAVEM-RHSMWYFYSA-N 447.776 5.199 30 10 IKEE C=C([C@@H](NCCC)[C@H](O)c1cc(Br)c(Br)s1)C(C)(C)C 2152976733 JVYCZSLNQADMOI-CHWSQXEVSA-N 425.230 5.277 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@]2(CNc3cccc(Br)c3C#N)CCC[C@@H]12 2165304211 NIQZKOTYSPFERS-WIYYLYMNSA-N 434.378 5.302 30 10 IKEE CC(C)(C)OC(=O)N1CCCC12CCC(Nc1cc(Br)ccc1C#N)CC2 2167913839 NUYJSVWNFJYKSM-UHFFFAOYSA-N 434.378 5.445 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1CN(c1ccc(Br)cc1C#N)C1CC1 2174810568 NVTQJRXOSMWROK-SFHVURJKSA-N 434.378 5.079 30 10 IKEE CC(C)(C)OC(=O)N1CCCC(C)(C)[C@@H]1CNc1ccc(C#N)c(Br)c1F 2184312600 HPAXYNLTUSVIJH-HNNXBMFYSA-N 440.357 5.297 30 10 IKEE C=CCC[C@H](C)[C@H](NC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229134381 ZIAOYJXVLJDOAK-IPELMVKDSA-N 425.411 5.075 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Cl)cc(Cl)c1Cl 2235594292 MDVZCWVOJWSSIT-FUHWJXTLSA-N 433.807 5.994 30 10 IKEE C=C(C(=O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)c1ccccc1 2237413886 NQVSUPQBWSCCDL-IBGZPJMESA-N 430.342 5.167 30 10 IKEE C=C(C)CCCC[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NC 2259165225 YZXMVPYSISRGQQ-DEOSSOPVSA-N 443.676 5.661 30 10 IKEE CC(C)c1cc(Br)cc([C@@H](C#N)N(C[C@H]2CCCO2)C(=O)OC(C)(C)C)c1 2280730480 KPHOPGFGTHDWMZ-RTBURBONSA-N 437.378 5.553 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(F)c([C@@H](N)C#Cc2ccc(Br)cc2)cc1F 2296292898 DEWLHHGJYYYKNH-KRWDZBQOSA-N 437.284 5.126 30 10 IKEE COc1cc(C=C2CCCC(=Cc3cc(O)c(OC)c(Cl)c3)C2=O)cc(Cl)c1O 2297365226 TYDRJXNCYVKYQC-UHFFFAOYSA-N 435.303 5.642 30 10 IKEE Cc1cccc(NC=C2C(=O)c3sccc3N(Cc3ccc(Cl)cc3)S2(=O)=O)c1 2297378400 LHZZYHSNRRJNJX-UHFFFAOYSA-N 444.965 5.196 30 10 IKEE CC[C@]1(C)N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 2300007842 QUZJUIQSIDGEOX-XZOQPEGZSA-N 449.617 5.557 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@@H]2CC[C@@H]21 2309991041 UWHUGQKXHUDOGH-DMJCMNNJSA-N 441.572 5.418 30 10 IKEE Cc1ccccc1COc1ccc(C=NNc2oc([C@H]3C[C@H]3c3ccccc3)nc2C#N)cc1 2320836869 DMJQITRMLOZLON-DQEYMECFSA-N 448.526 6.151 30 10 IKEE CCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1N=Cc1cccc2ccccc12 2320991415 FDQCZSKPHIMULG-UHFFFAOYSA-N 443.576 5.224 30 10 IKEE CC(C)(C)c1nnc(S)n1N=Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1 2321908561 IJYPUWVTPZNALY-UHFFFAOYSA-N 435.380 5.632 30 10 IKEE O=C1C(=Cc2ccc(Cl)c(Cl)c2)Oc2c1ccc1c2CN(Cc2ccco2)CO1 2321962105 MOAYYZDMPRFMEF-UHFFFAOYSA-N 428.271 5.555 30 10 IKEE COc1ccc(C=C2Oc3c(ccc4c3CN(CCC3=CCCCC3)CO4)C2=O)cc1OC 2322106764 MVLVPCYUHSZNLM-UHFFFAOYSA-N 447.531 5.362 30 10 IKEE CCCCCCN1COc2c(cc3c(c2C)OC(=Cc2ccc(OC)cc2OC)C3=O)C1 2322362699 NOXMQRMDQKHIRO-UHFFFAOYSA-N 437.536 5.361 30 10 IKEE Cc1ccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3nc5ccccc5[nH]3)C4)C2=O)cc1 2322415912 JDALEYKKVHQROK-UHFFFAOYSA-N 437.499 5.148 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(Cl)c(Cl)c1)C3=O)CN(CCC(C)C)CO2 2322437066 VUBWPBMZZCJSAA-UHFFFAOYSA-N 432.347 6.116 30 10 IKEE CCCCCCCCCOc1ccc(C=NNC(=S)Nc2ccccc2)cc1Cl 2323047442 MSKZCWOGPNVHRL-UHFFFAOYSA-N 432.033 6.790 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc(OC(=O)c3ccc(C)c(C)c3)c2C)C1=O 2323248271 WPLCRDYOLLPPCZ-UHFFFAOYSA-N 428.484 5.846 30 10 IKEE C=CCOc1c(Cl)cc(C=CC(=O)c2ccc(OCCC)c(OCCC)c2)cc1OC 2323744236 JKGIYXZJPBKALU-UHFFFAOYSA-N 444.955 6.387 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Br)c1OCc1ccc(F)cc1 2323813495 SSWOTIXZJQOLAU-UHFFFAOYSA-N 441.296 6.072 30 10 IKEE C[C@H]1C[C@H](C)CN(Cc2c(O)ccc3c2OC(=Cc2ccc(Br)cc2)C3=O)C1 2324054874 BDWWWIRMYFDNKP-GJZGRUSLSA-N 442.353 5.249 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OCCc1ccccc1 2324305778 DWJCNIGMEPQJEC-UHFFFAOYSA-N 430.544 6.228 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(C(C)(C)C)cc3)n2)cc1 2324404325 NHUQAYUDBKXCCB-XMMPIXPASA-N 442.628 7.340 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCc3cc(C)ccc3C)cc2)c(OCC)c1 2324484063 FAJPRIQYGCNIBL-UHFFFAOYSA-N 430.544 6.576 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)cc1Cl 2324608475 XFBFVQGCIPYVPJ-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCCOc1c(Br)cc(C=CC(=O)c2cc(C)c(OC)cc2C)cc1OCC 2324645745 NGQOWNROFWAZBD-UHFFFAOYSA-N 447.369 6.158 30 10 IKEE COC(=O)c1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc1 2324651329 RZVIZQWJSWGACG-NRFANRHFSA-N 430.529 5.610 30 10 IKEE Cc1c(O[C@@H](C)C(=O)Nc2ccc(C#N)cc2)ccc2c1OC(=Cc1ccccc1F)C2=O 2325302227 NJWLEDMUHCGSME-INIZCTEOSA-N 442.446 5.028 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2cccc(C=CC(=O)c3cccc(Cl)c3)c2)c1 2325728813 JNFPZOHZVIWGJO-UHFFFAOYSA-N 434.919 6.309 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OC(=O)c2cc(Cl)ccc2OC)c1 2325743328 RNBZLKCFPBFOSC-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)OCCO4)c2)c1 2325745446 VBNLNXJNGAGWIC-UHFFFAOYSA-N 428.484 5.119 30 10 IKEE Cc1cccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc(C(C)C)cc3)c2)c1C 2325750627 GOOHXFDGAQDPPL-UHFFFAOYSA-N 428.528 6.307 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1N=Cc1c(C)n(CC)c2ccccc12 2326384933 JKDXMAXELOZEDH-UHFFFAOYSA-N 431.609 5.997 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1N=Cc1cccc(OC(C)C)c1 2326637544 ZNVPOZOXGICQKF-UHFFFAOYSA-N 430.577 5.955 30 10 IKEE Cc1ccc(CSc2nnc([C@@H](C)c3ccccc3)n2N=Cc2ccccc2Cl)cc1 2330051099 GKRDIPUPPGXFDO-IBGZPJMESA-N 447.007 6.566 30 10 IKEE Cc1ccsc1C=Nn1c(SCc2ccc(Cl)cc2)nnc1-c1cccs1 2330597297 OGAZOMJAPBBWEU-UHFFFAOYSA-N 431.011 6.204 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C2CC2)c(Br)c1)c1ccc(-c2ccccc2)cc1 2330600012 QNLWMVSZVLCGJR-UHFFFAOYSA-N 447.328 6.328 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccc(CC)cc3)cc2)cc1 2330825729 VTRLQLUAHHMKKH-UHFFFAOYSA-N 440.583 7.026 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)C3CC3)c(Br)c2)cc1 2330833238 ZYOCFQSYDZPMMT-UHFFFAOYSA-N 427.338 6.003 30 10 IKEE COc1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2C2CCCC2)c(OC)c1 2331042718 ZPXPESGKUJKBNC-UHFFFAOYSA-N 436.581 5.436 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)c1cccc(C)c1 2331084098 FWSRFBSQUJRFFE-UHFFFAOYSA-N 442.845 6.051 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc([N+](=O)[O-])c1OC(=O)CCc1ccccc1 2331175105 SPSXFCIQQWZTIJ-UHFFFAOYSA-N 445.471 5.428 30 10 IKEE COc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C(C)(C)C)c(OC)c1 2331408228 KUVZQUYNACAPLK-UHFFFAOYSA-N 444.988 5.421 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCO4)cc2)cc1 2331431901 CEAVRBQDOAPNRY-UHFFFAOYSA-N 444.483 5.248 30 10 IKEE CCOc1cc(C=Nn2c(SCC)nnc2C2CCC2)ccc1OCc1ccccc1 2331509829 NYYJBKSNXQAPDP-UHFFFAOYSA-N 436.581 5.518 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)Cc2ccc(F)cc2)cc1 2331545944 DVTUVQNOJWZKGM-UHFFFAOYSA-N 446.518 6.176 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1ccccc1F 2331566215 WSWMMDRDMSTONP-UHFFFAOYSA-N 426.390 5.618 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OC(=O)c1ccncc1 2331645615 VDLXXWHWANUTHY-UHFFFAOYSA-N 445.515 5.448 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)CC)c(Br)c2)c1 2331674831 LNULDLVKUMGJRB-UHFFFAOYSA-N 447.325 5.458 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc([N+](=O)[O-])c1OC(=O)c1ccccn1 2331708459 PTASMMYVQQNVEQ-UHFFFAOYSA-N 446.459 5.121 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc(OC)c1OC(=O)C1CC1 2331752166 KYEGGIHCCFFESU-UHFFFAOYSA-N 440.923 5.606 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)COc1ccccc1 2331779762 QTCKTIJJACUVHB-UHFFFAOYSA-N 444.527 5.891 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1ccccc1Cl 2331779912 ATCKWUWAGHRMKA-UHFFFAOYSA-N 434.919 6.389 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cc(Cl)c(OC(=O)c3ccco3)c(OC)c2)cc1C 2331835167 PEALUANOLPCEGR-UHFFFAOYSA-N 440.879 5.682 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(OC(C)=O)cc3)cc2)cc1C 2331835583 WQCWQEKZFOMGQW-UHFFFAOYSA-N 444.483 5.353 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)CCCSC)c(Cl)c1 2331876814 KONULVFYHACUPM-UHFFFAOYSA-N 439.360 5.947 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Cl)cc(Br)c1F 2337112417 RTTXASRDYADOOL-WBVHZDCISA-N 449.792 5.752 30 10 IKEE Cc1cc(C)nc(N/C(=N/C(=O)Nc2cccc(Cl)c2)NCc2ccccc2Cl)n1 14156849 XRYUYANFBXUHFR-UHFFFAOYSA-N 443.338 5.190 30 10 IKEE Cc1ccsc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2nc(SCc3ccccc3)nn21 17100748 YFDBENIACVLSPE-LJQANCHMSA-N 436.606 5.598 30 10 IKEE Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc([N+](=O)[O-])cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 20134770 NCDROPGVNDBYAO-HXUWFJFHSA-N 428.492 5.494 30 10 IKEE CCOc1c(OC)cccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1cccs1)C2 21221615 WWPNMKVNGFTJEV-CPJLOUKISA-N 446.572 6.135 30 10 IKEE CC(/C=C/c1ccccc1)=N\Nc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N 21324043 VDGHTICUOOILET-MOTGWWFASA-N 433.368 5.092 30 10 IKEE CCN(CCOC)C(=O)CCc1ccc(-c2ccc(C)cc2C)n1-c1ccc(CC#N)cc1 23427314 DBNZDPSALLSGOW-UHFFFAOYSA-N 443.591 5.255 30 10 IKEE CCCn1cc(CN/C(=N/C(=O)c2ccc(C(C)(C)C)cc2)Nc2ccccc2C)c(C)n1 32972792 VWLDXQOXYHZYKU-UHFFFAOYSA-N 445.611 5.606 30 10 IKEE COc1ccc(/N=C2/S/C(=C/c3ccc(OCc4ccccc4F)cc3)C(=O)N2C)cc1 33349593 GYWBLQYMNLXOHM-VCICBFQVSA-N 448.519 5.647 30 10 IKEE CN1/C(=C\C(=O)CSc2nnc(-c3cccs3)n2C2CC2)C(C)(C)c2ccccc21 36783650 WDGIGNHFFUJBFM-MOSHPQCFSA-N 436.606 5.314 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccc(C(C)C)cc1 40096096 OLUXTXRATKJXQD-XDHUDOTRSA-N 433.548 5.512 30 10 IKEE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/Nc1ccc(F)cc1)CCC2 40823805 DADQIHNCKQZVMP-OGLMXYFKSA-N 441.890 5.794 30 10 IKEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1 41285316 CXDQIYYWGRJNIF-OYKKKHCWSA-N 428.484 5.962 30 10 IKEE Cc1c(OC(=O)c2ccc3c(c2)OCO3)ccc2c1O/C(=C\C=C\c1ccccc1)C2=O 41291385 FVCGTIWWNRWJPS-UPFJJGCZSA-N 426.424 5.115 30 10 IKEE COc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2cccs2)C4)cc1OC 41645296 ZPBYTPXVVPRIMD-JJFYIABZSA-N 449.528 5.042 30 10 IKEE COc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(C2CCCCC2)C4)cc1OC 41645322 PFOLCKNMAAPSSE-QRVIBDJDSA-N 435.520 5.113 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc(Cl)cc3)n2)cc1 59015260 IPPFBICZBDZRRT-CHOFVFFHSA-N 442.976 5.148 30 10 IKEE C=CCn1c(SCc2nnc(-c3ccc(F)cc3)o2)nnc1-c1ccc(Cl)cc1 59795025 AQSGACCQRBBEJM-UHFFFAOYSA-N 427.892 5.266 30 10 IKEE C=CCSC1=N/C(=C\c2cccc(OC)c2OC)C(=O)N1c1ccc(F)c(Cl)c1 96448843 JDJOKWBWHMQNRM-BOPFTXTBSA-N 432.904 5.159 30 10 IKEE O=C(/C=C\c1ccc(Br)cc1)c1ccc(Nc2nc3ccccc3s2)cc1 97993181 DMVLRCOHWFLPRP-AUWJEWJLSA-N 435.346 6.699 30 10 IKEE CCCCCCCCCCCn1c([C@@H](C)NC(=O)c2ccc(C)cc2)nc2ccccc21 102113058 SPQYDXHSKOAPPV-HSZRJFAPSA-N 433.640 7.367 30 10 IKEE CCCCCCCCCCCCn1c(CCCCCNC(=O)COC)nc2ccccc21 102163616 TVHVJPMOQSFPPA-UHFFFAOYSA-N 443.676 6.433 30 10 IKEE C=CCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)S/C1=N\c1ccc(Cl)cc1 103879915 RPXZXDKQLMGGMG-QLNITERQSA-N 448.400 6.154 30 10 IKEE CCCCCCCCC(=O)OCC(C)(C)[C@H](OC(=O)CCCCCCCC)C(C)C 111395378 CYIXYIDXFMPPSQ-RUZDIDTESA-N 426.682 7.625 30 10 IKEE Sc1nnc(CCc2ccccc2)n1/N=C\c1ccc(OCCCc2ccccc2)cc1 169911277 NUQYCBWWQDZBEK-OOAXWGSJSA-N 442.588 5.246 30 10 IKEE CCOc1ccccc1-c1nnc(S)n1/N=C\c1ccccc1COc1ccccc1 169912181 BIYFBVBFYJZBKT-XYGWBWBKSA-N 430.533 5.094 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccccc2OC)cc1 169941288 DQZYFDFYWHLVRQ-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2cccc(C)c2)c1 169965993 LGHZCTNRBOPSIY-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)c1 170047111 MGPRRHOCVQIFDY-HSZRJFAPSA-N 447.918 5.912 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccccc1F)c1cc2ccccc2o1 170070857 OMBUNABFBLSHHI-QFIPXVFZSA-N 447.849 6.008 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccccc1F 170072584 MYEVHDWDMOXPDW-DEOSSOPVSA-N 433.454 5.062 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@H]2c2ccco2)cc1C 170090713 VHHNZGCIYSOMMC-QHCPKHFHSA-N 429.516 5.977 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2cc(C)cc(C)c2OC)=C(O)C(=O)N1C1CCCCC1 170123692 WSUCSQKSXRWKQK-QHCPKHFHSA-N 449.547 5.232 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccs2)c1 170161374 WITMEUURYPYOCI-QFIPXVFZSA-N 433.529 5.628 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(OCC)cc2)c1 170214604 WHDJQGZYYRCLDK-XMMPIXPASA-N 449.547 5.395 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 170238512 AEONHIUNPOLJSE-QFIPXVFZSA-N 449.453 5.373 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccccc2F)cc1 170248880 HBEWCIQAJUONHG-HSZRJFAPSA-N 447.462 5.103 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2C)cc1C 170269984 MTJDWVVTDRQJDC-QHCPKHFHSA-N 447.556 5.542 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@@H]1c1ccccc1C 170277310 TVQUVGFRIMYFQT-VWLOTQADSA-N 449.591 6.204 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1ccccc1C 170277478 DMQZOKAWBSBICT-DEOSSOPVSA-N 433.592 6.369 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccco2)cc1C(C)C 170289965 WZQQQJIVNAUAFL-XMMPIXPASA-N 445.515 5.893 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2cc(F)ccc2F)o1 170306175 IMRQJUINEPRILA-QHCPKHFHSA-N 445.421 5.802 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2sccc2C)cc1 170315233 DLHPFUVDTYZHEL-JOCHJYFZSA-N 447.556 5.937 30 10 IKEE C=CCOc1cccc([C@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2CCC)c1 170324444 BBBBWRJPXWZLHR-DEOSSOPVSA-N 447.575 5.846 30 10 IKEE Cc1[nH]c2ccccc2c1[C@@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1c1cccc(Cl)c1 170404750 VPOLHNFWZUHLGV-OAQYLSRUSA-N 448.931 5.974 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccc(OC(C)(C)C)cc2)c1 170458244 CSSGUTZBBXIPEQ-HSZRJFAPSA-N 445.515 5.544 30 10 IKEE CC(=O)N[C@@H](/N=C(/S)Nc1ccc(N=Nc2ccccc2)cc1)C(Cl)(Cl)Cl 253981803 XGFZZURANXHOPT-HNNXBMFYSA-N 444.775 5.632 30 10 IKEE O=S(=O)(c1ccc(N=Cc2ccc(Br)s2)cc1)N1CCc2ccccc21 254506455 MQTZRKUSQRKYDA-UHFFFAOYSA-N 447.379 5.013 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2c[nH]c3ccccc23)cc1 526487351 YFUTUSKTASDGFA-VWLOTQADSA-N 435.483 5.495 30 10 IKEE CCCOc1ccc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526488570 PFSICIRCDCBBHU-DEOSSOPVSA-N 444.918 6.058 30 10 IKEE CCCOc1ccc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1OC 526517011 RECIBMNQKQUWQG-QHCPKHFHSA-N 446.528 5.474 30 10 IKEE COc1cc([C@H]2C(c3cccc4ccccc34)=C(O)C(=O)N2c2ccccc2C#N)ccc1O 526611049 SBCYNKURASISHR-SANMLTNESA-N 448.478 5.483 30 10 IKEE Cc1ccc(COc2ccccc2/C=N\n2c(C)nnc2SCc2ccc(F)cc2)cc1 526801368 MQXNMONNKJOCJG-DICXZTSXSA-N 446.551 5.788 30 10 IKEE CCCOc1ccc(/C=N\n2c(C)nnc2SCc2cc(C)cc(C)c2)cc1[N+](=O)[O-] 526810076 WKOVOEBJVVUTKX-QRVIBDJDSA-N 439.541 5.075 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccc(OC)c(OCC)c1 526811757 SPOWPHPAKOBWMD-OYKKKHCWSA-N 444.988 5.466 30 10 IKEE CCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1cc(Cl)c(OC)c(Cl)c1 526818618 RPRNMHRUDUZZBC-MYKKPKGFSA-N 449.407 5.947 30 10 IKEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 586713295 WSUPYESHCRQQJR-UHFFFAOYSA-N 426.520 5.131 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCc2cc(Cl)ccc21 698453230 FCUNSQAOIXIDRU-OAQYLSRUSA-N 447.760 6.209 30 10 IKEE C[C@H](C[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br)c1ccccc1 698482108 LUWPHBKBHIGEOB-AEFFLSMTSA-N 429.358 6.277 30 10 IKEE C[C@@H]1N(Cc2ccccc2)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 698901613 KBSGILILVCBDJQ-MHECFPHRSA-N 425.960 5.638 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCO[C@@H](C(C)(C)C)C1 721576032 OIEGMNAKBFOQGS-DYESRHJHSA-N 437.378 5.678 30 10 IKEE Cc1ccccc1N=C1NC(=O)/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)S1 1084241819 XPJOYSVOXIQYGK-YBFXNURJSA-N 439.880 5.708 30 10 IKEE C[C@@H]1CC(=Nc2ccc(F)c(F)c2)c2cc(F)ccc2N1C(=O)c1ccc(F)c(F)c1 1088698754 YKUSXDHEUFSVRF-GFCCVEGCSA-N 430.376 5.942 30 10 IKEE Cc1nc(O)c2ccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)cc2n1 1354005112 DNVXSEUXZUUQCS-HXUWFJFHSA-N 428.879 5.205 30 10 IKEE Cc1ccc(COc2ccccc2/C=C2\SC(=Nc3cccc(C)n3)N(C)C2=O)cc1 1772730256 APTBCLSWPAIGAN-OWJZXNPYSA-N 429.545 5.511 30 10 IKEE CCOc1ccc(/C=C2\SC(=Nc3cccc(C(=O)O)c3)N(c3ccccc3)C2=O)cc1 1772734758 GRJZKYFEYYXBFT-JXJWTFEASA-N 444.512 5.592 30 10 IKEE Cc1ccc(-c2csc3nc(-c4ccccn4)n(Cc4cccc(C#N)c4)c(=O)c23)c(C)c1 1857804198 LGOQJVKVTWPFPV-UHFFFAOYSA-N 448.551 5.724 30 10 IKEE Fc1ccc(-n2cc(/C=N\NC(=S)Nc3cccc(F)c3)c(-c3cccs3)n2)cc1 1857808453 COGFHSMZAQDAGR-MSXFZWOLSA-N 439.516 5.200 30 10 IKEE Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2/C=N\NC(=S)Nc2ccccc2)cc1C 1857808942 NDRHSIOQRKONGT-DICXZTSXSA-N 443.551 5.616 30 10 IKEE Fc1ccc(NC(=S)N/N=C\c2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)cc1 1857811671 WEPLLUFFZZEHQF-WGARJPEWSA-N 449.942 5.652 30 10 IKEE CCCCCCCCCNC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1C 1860261953 KNMLEFWWVUIANR-UHFFFAOYSA-N 435.564 6.014 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccccc1C(F)(F)F 1860729327 FAIVNIVWJMRXEL-BUHFOSPRSA-N 425.406 5.505 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)CCCOc1ccc(C(C)(C)C)cc1)c1ccccc1 1862218622 HQXQYBFLBBWKDG-SANMLTNESA-N 448.607 5.201 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccccc1 1862380290 ZBHUWJGMSKXASS-FQEVSTJZSA-N 432.347 6.152 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc([N+](=O)[O-])cc1 1862384720 YXYMIVFQBFJDPW-GOSISDBHSA-N 449.290 5.136 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc(F)cc2F)cc1 1862395768 YCSZLIJUVQXSEI-HSZRJFAPSA-N 441.518 5.932 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862414303 WVJLHZZTNBSWDV-XMMPIXPASA-N 447.481 5.614 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCCC2)cc1OC 1862488085 QKMIQCFAPBMJFL-XMMPIXPASA-N 449.547 5.313 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc(Br)c3)=C(O)C(=O)N2C2CC2)cc1 1862526611 IDQRTMPMOCHXNZ-HXUWFJFHSA-N 440.337 5.313 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc(Cl)cc2Cl)cc1 1862537694 AYPXEXYATFEMNZ-NRFANRHFSA-N 446.374 6.180 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc2cc[nH]c2c1 1862615449 KTDKGMDKPNZXSL-QHCPKHFHSA-N 446.547 5.080 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 1862620024 IZWVUURAQXFCOX-HSZRJFAPSA-N 431.576 6.046 30 10 IKEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1cccc2ccccc12 1862620079 KDIHIEUIXROELF-MZNJEOGPSA-N 443.543 5.096 30 10 IKEE O=C(O)c1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C2CCCC2)cc1 1862650801 DPYQWLCZJPTPJL-QHCPKHFHSA-N 441.483 5.059 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc2cc[nH]c2c1 1862660820 NBLMUULKXFLRAW-DEOSSOPVSA-N 430.548 6.060 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1 1862674204 SSJQCPOTTANARL-JOCHJYFZSA-N 425.475 5.656 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862676837 SAUFDCAVMIWGEH-XMMPIXPASA-N 449.522 5.693 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C)c(Cl)c3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1C 1862879310 NCZFBXDTVHUYIG-UHFFFAOYSA-N 441.918 5.534 30 10 IKEE N#Cc1ccc(NC2=C(c3ccccc3F)C(=O)N(c3cccc4ccccc34)C2=O)cc1 1862922920 OVGNHNFGZXDNKM-UHFFFAOYSA-N 433.442 5.247 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)O 1866029726 DHWIUBKJXLRCSV-UHFFFAOYSA-N 448.604 7.493 30 10 IKEE CCCCCCCCCCNC(=O)c1cc(O)c2cc(Br)cc(F)c2n1 1866524236 AONUZRGBZBBGMT-UHFFFAOYSA-N 425.342 5.713 30 10 IKEE COc1ccc2c(c1)CCN(c1cc(Nc3cccc(C#N)c3)nc(-c3cccnc3)n1)[C@H]2C 1868552688 BCWRYHVNFDDIEK-SFHVURJKSA-N 448.530 5.286 30 10 IKEE C=CCOc1cn(CCCCCCCCCC)c(CSc2ccc(C)cc2)cc1=O 1870245739 CDLJYMWWPDJIFS-UHFFFAOYSA-N 427.654 7.155 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2F)c(CN(CC)CCCC)cc1=O 1870414714 XOIOEDILGRLDGR-UHFFFAOYSA-N 430.608 6.007 30 10 IKEE CCCCCCCOc1cn(Cc2ccccn2)c(CNc2ccc(C(C)C)cc2)cc1=O 1870838241 VJZJSCIHLYYNRL-UHFFFAOYSA-N 447.623 6.376 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccccc1Cl)O3)CN(CCc1ccccc1)CO2 1871344344 DYSKAPYBOHTDCO-UCQKPKSFSA-N 431.919 5.659 30 10 IKEE Cc1cc(C)cc(OCCN2COc3ccc4c(c3C2)O/C(=C\c2sccc2C)C4=O)c1 1871347300 NWVVJQGQILZCPF-QRVIBDJDSA-N 447.556 5.520 30 10 IKEE CCN(CC)CCCCN1COc2c(cc3c(c2C)O/C(=C\c2ccccc2F)C3=O)C1 1871355217 XXEXBQSDCHIRDG-HAHDFKILSA-N 438.543 5.024 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OC(=O)c3cccc(Br)c3)ccc2C1=O 1871364857 WPVHMWNVTGXGJJ-MTJSOVHGSA-N 435.273 5.593 30 10 IKEE CCOc1ccc(CCC(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C)o2)C3=O)cc1OC 1871368913 UTSZIQCRCZOGTK-IWIPYMOSSA-N 448.471 5.150 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc(Cl)c(Cl)c3)ccc2C1=O 1871372364 NEAMDRZVYWXWCG-NHDPSOOVSA-N 441.266 5.837 30 10 IKEE CC(C)(Oc1ccc(Cl)cc1)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O 1871385192 ZLHITRZUOIAKKY-HMAPJEAMSA-N 434.875 5.719 30 10 IKEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(C)c2)C3=O)c(OC)c1 1871386753 LJZFMZIQBRPVLC-FMCGGJTJSA-N 430.456 5.156 30 10 IKEE CC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)c1 1871390089 DVQXVDGMMVGMBU-UUYOSTAYSA-N 434.831 5.101 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(O[C@H](C)C(=O)Nc3ccc(Cl)cc3)c2C)C1=O 1871413986 HERNZXSEZXIPAO-NQRZERFFSA-N 447.918 5.979 30 10 IKEE O=C1/C(=C/c2ccc(Cl)c(Cl)c2)Oc2cc(OCCOc3ccccc3F)ccc21 1871418021 HBXVIIWTCOLSJQ-UUYOSTAYSA-N 445.273 6.207 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc5ccccc5c4)ccc3C2=O)cc1 1871419735 PUWFAXAGFQEMEO-WGARJPEWSA-N 435.479 5.782 30 10 IKEE O=C1/C(=C/c2ccc(Cl)c(Cl)c2)Oc2cc(OCc3cccc4ccccc34)ccc21 1871435047 WYXUISNQXYGEGQ-MXAYSNPKSA-N 447.317 7.342 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C)c(Cl)c4)ccc3C2=O)c1 1871456796 XLHHQFIYLLZINN-KSEXSDGBSA-N 449.890 5.291 30 10 IKEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1 1871824675 LSVNMIDFAXJZOW-QGZVFWFLSA-N 434.989 5.057 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)CCC 1871946889 OBTUTGBNOGQFEF-SFHVURJKSA-N 435.417 5.109 30 10 IKEE CC(=O)Nc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 1872760705 WCZZVMMSLCPCOO-JOCHJYFZSA-N 425.513 5.341 30 10 IKEE Cc1cc(-c2csc([C@@H](C#N)C(=O)/C(=C\c3ccccc3)c3ccccc3)n2)ccc1F 1872771857 DIMRWXOLBWINBO-AMCKHAKVSA-N 438.527 6.675 30 10 IKEE N#C[C@@H](C(=O)C(c1ccccc1)c1ccccc1)c1nc(-c2cccc3ccccc23)cs1 1872774882 FCDGMSNFGMGNEB-VWLOTQADSA-N 444.559 6.972 30 10 IKEE COc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1 1872784764 XBTFRUCOKPBBBZ-YOCVDRLZSA-N 438.936 5.679 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)C34CC5CC(CC(C5)C3)C4)n2)c2ccccc12 1872788579 LQJSNFBBKQMWEL-IBMZFAAVSA-N 442.584 6.365 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc(COc2ccc(Cl)cc2Cl)cc1 1872854840 RSBYYRUUNIROLU-UHFFFAOYSA-N 436.423 7.443 30 10 IKEE CCCCOc1ccc(/C=N/Nc2oc([C@H]3C[C@@H]3c3ccccc3)nc2C#N)cc1OCC 1873470789 QUZSXLWIMDWMQF-JNWIWMBKSA-N 444.535 5.841 30 10 IKEE CCCCCCCCN=c1nc2c(cnn2-c2ccccc2)c(Nc2cc(C)ccc2O)[nH]1 1873478001 GWGVZCQSUPPCRM-UHFFFAOYSA-N 444.583 5.767 30 10 IKEE Cc1ccccc1CSc1nnc(C)n1/N=C/c1cccc(OCc2ccccc2)c1 1873501348 RPIBUWWQTSWOCH-WGOQTCKBSA-N 428.561 5.648 30 10 IKEE Cc1cccc(CSc2nnc(CCCOc3ccccc3)n2/N=C/c2ccncc2)c1 1874317526 YDJMMYXSDXVMJC-OVVQPSECSA-N 443.576 5.168 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(COc2ccc(C)cc2C)nnc1SC 1874325146 ALDYAYMNQIAZSS-AFUMVMLFSA-N 432.549 5.240 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2-c2ccccc2Cl)cc1 1874365949 CQSKUJOSVMWOER-LGJNPRDNSA-N 440.906 6.051 30 10 IKEE Cc1ccc(/C=N/n2c(CCc3cccs3)nnc2SCc2cccc(C)c2)cc1 1874369974 ASDIOVYPHCXTFS-PCLIKHOPSA-N 432.618 5.916 30 10 IKEE Clc1ccc(CSc2nnc(COc3ccccc3)n2/N=C/c2ccncc2)cc1 1874385393 NAXIVIDMLMNJCK-AFUMVMLFSA-N 435.940 5.080 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2cc(C)ccc2O)cc1 1874390051 RYZLAQLQCHKZRL-OVVQPSECSA-N 442.588 5.408 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2[C@@H](C)c2ccccc2)cc1 1874394232 HQVGJZGZWHNDQT-XTFCHBONSA-N 444.579 6.306 30 10 IKEE CCCSc1nnc(-c2cccs2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874423726 BIOZSWCMHVAUPE-LFVJCYFKSA-N 434.590 5.970 30 10 IKEE Cc1ccccc1CSc1nnc([C@H]2CCCO2)n1/N=C/c1c(Cl)cccc1Cl 1874443750 KFWGFIADFQRAIV-QVHMZZSFSA-N 447.391 5.919 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2cc(C)ccc2C)nnc1C(F)(F)F 1874461582 VANUCXSNUFJAFW-LGJNPRDNSA-N 448.514 5.877 30 10 IKEE COCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1c(F)cccc1Cl 1874473872 AWUDOZZDTALKLZ-FOKLQQMPSA-N 439.343 5.087 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CC2)cc1 1874520288 AMOVHHJNWOAQQC-WPWMEQJKSA-N 442.588 6.272 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(S)nnc2CCc2cccc3ccccc23)cc1 1874567590 FYRIBVJOIKGHDJ-ZXVVBBHZSA-N 444.604 5.956 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c1OCc1ccc(C)cc1 1874570252 TXXGUVWWMQGDQQ-FMQUCBEESA-N 434.535 7.146 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccccc2)c1OCC(=O)N[C@H](C)c1ccccc1 1874578590 WJFJMOWMLJWEHB-KAUXGEHWSA-N 449.934 5.501 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3cccc(Cl)c3)c2)cc1F 1874597321 GDCGZJVPUISTKK-RMKNXTFCSA-N 426.871 5.971 30 10 IKEE CCOc1c(Br)cc(/C=C/C(=O)c2cccc(Br)c2)cc1OC 1874609655 CPVBCBBJQADVFX-BQYQJAHWSA-N 440.131 5.515 30 10 IKEE CCCOc1c(Br)cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1OC 1874630304 AOKRQDXHWGUXMT-BQYQJAHWSA-N 433.342 5.768 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)ccc1OCc1ccccc1Cl 1874639009 CSDDLYSCRKNKOO-JXMROGBWSA-N 443.326 6.486 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 1874695488 DXQICTGVZMBXTD-DEDYPNTBSA-N 440.583 7.442 30 10 IKEE C[C@H](Oc1ccc(Cl)cc1)C(=O)Oc1cccc(/C=C/C(=O)c2ccc(F)c(F)c2)c1 1874710552 DGNHMVCQYWDJDH-LYOQKUPSSA-N 442.845 5.887 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cccc(OC(=O)[C@@H](C)c2ccccc2)c1 1874715245 KARZAXATLOOTQS-HHNLSAEISA-N 434.919 6.262 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccc(F)cc2F)c1 1874716267 KQZUNEGLXFMKDL-RMKNXTFCSA-N 442.845 6.051 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(F)c(F)c2)CSc2nnc(C3CCC3)n21 1874879594 LVYRDOUTBANQKL-FQEVSTJZSA-N 448.583 5.886 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](C)CSc2nnc(COc3c(C)ccc(C)c3C)n21 1875065821 DLROWOUDKRFDHK-IBGZPJMESA-N 444.645 5.492 30 10 IKEE COCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1Br 1875096507 RAZGEVREFIXPOZ-UXBLZVDNSA-N 439.305 5.440 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(OC)c(OC(=O)CC2CCCCC2)c(OC)c1 1875118486 YSKHBEKJNGRNKK-BUHFOSPRSA-N 438.520 5.484 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(N(C)C)cc1 1875125491 LLXBXGJSQCAXPO-PJQLUOCWSA-N 449.934 5.920 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)Cc1ccc(F)cc1 1875133335 PNGXVBVPXMEIDF-MDWZMJQESA-N 434.463 5.196 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Cl)c(Cl)c1 1875134223 NUUOFLGBYIECKH-KGVSQERTSA-N 442.254 6.017 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)COCc1ccccc1 1875143645 KAXCAXCGOIEJCL-XYOKQWHBSA-N 434.463 5.161 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OC(=O)c1ccncc1 1875168801 VDLXXWHWANUTHY-BQYQJAHWSA-N 445.515 5.448 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](O)c1c(C)sc(C)c1Br 1922055603 SQXRVTDHGVMRBP-SFTDATJTSA-N 438.431 5.302 30 10 IKEE C=CCC[C@H](C)[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NC 1996481746 PNXJIYXUBIQCBU-JTHBVZDNSA-N 429.649 5.126 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1999941179 LXKHFTNJAUHKTK-WAIKUNEKSA-N 449.979 5.621 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCCN(C(=O)OC(C)(C)C)C2)c1 2005382003 HDCXAJYFQDUDHB-XMMPIXPASA-N 429.561 5.420 30 10 IKEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](N(CCNC(=O)OC(C)(C)C)Cc2ccccc2)C1 2006128861 LJSZJGZCNMKGHZ-DNVJHFABSA-N 427.633 5.758 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CCC[C@@]2(C#N)N(C(=O)OC(C)(C)C)c2ccccc2)C1 2032058698 GEGHIVNIEHMGHD-NNPDTBDGSA-N 441.572 5.357 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CN(C(=O)OC(C)(C)C)C2(CCCC2)C1 2049704205 LMXBLHGJRJBZRH-RPWUZVMVSA-N 442.644 5.697 30 10 IKEE O=C(C=Cc1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 2053510547 IEDQACBSFGZNNS-UHFFFAOYSA-N 432.288 5.739 30 10 IKEE CC1([C@H](c2ccc(C3CCC3)cc2)n2nc(C3CCC3)c(C=NO)c2Br)CC1 2079956753 LEXFPAWPKORHQB-NRFANRHFSA-N 442.401 6.378 30 10 IKEE C=CCC1(C(=O)Nc2ccc(Br)c(Cl)c2C)CN(C(=O)OC(C)(C)C)C1 2138179091 ZROLGVIOVWEKNU-UHFFFAOYSA-N 443.769 5.163 30 10 IKEE CCCCC#CC[C@@H](NCC)c1cc(Br)ccc1I 2138990429 MEPBSBZOPOLOQB-MRXNPFEDSA-N 434.159 5.288 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCCC)c2ccc(F)cc2Br)C1 2198469701 QGRHFKDGGZJZBC-SFHVURJKSA-N 441.385 5.490 30 10 IKEE CCCCCC#CCC(=O)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2203876312 HDDZMWSOKNPSNS-LJQANCHMSA-N 436.390 5.428 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Cl)cc1)CN(Cc1ccccc1)C(=O)OC(C)(C)C 2212466452 KRTHFWPVHPXHSO-QHCPKHFHSA-N 426.988 5.497 30 10 IKEE C=CCCCCCCC[C@@H](NCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2220094917 XQNOULDIPBVCSV-ICDZXHCJSA-N 446.676 6.380 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)CC(C)(C)CNC(=O)OC(C)(C)C 2235728502 LQHYLPMZQQOTAC-GOSISDBHSA-N 437.422 5.110 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C1CC1 2246528266 WXTDDJPETARBKX-SGNDLWITSA-N 428.617 5.163 30 10 IKEE CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2255917364 AQKSVVBZPUZSSQ-CJFMBICVSA-N 443.588 5.603 30 10 IKEE CCCN[C@@]1(C#N)CCCC[C@H]1CCN(CCN(C)Cc1ccccc1)Cc1ccccc1 2273176694 ASKORTHTOMWIBG-URLMMPGGSA-N 446.683 5.463 30 10 IKEE Cc1ccc(NC(=S)NN=Cc2cn(-c3ccc(C)c(C)c3)nc2-c2cccs2)cc1 2296403590 YZGNJWPRCTYFQD-UHFFFAOYSA-N 445.617 5.847 30 10 IKEE Cc1cccc(C)c1N=C1SC(=Cc2ccc(C(C)C)cc2)C(=O)N1c1ccccc1 2296737804 VBXBPAYKTGQHJF-UHFFFAOYSA-N 426.585 7.235 30 10 IKEE COc1cc(C=C2SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)ccc1O 2296826748 MPKUGXXCDXKNSL-UHFFFAOYSA-N 430.529 5.826 30 10 IKEE COc1ccccc1C=CC=C1Oc2cc(OCc3c(F)cccc3Cl)ccc2C1=O 2296868045 QBXJVZOFNGZRQZ-UHFFFAOYSA-N 436.866 6.239 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3c(ccc4c3[C@H](CC(C)C)CC(=O)O4)C1=O)cn2C 2297595961 BOVLCVNHEUDVOJ-OAHLLOKOSA-N 431.488 5.242 30 10 IKEE C=CCC(CC=C)[C@H](O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2301035329 WFJZVXQNZJCHCD-HSZRJFAPSA-N 428.617 5.065 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OC(=O)c2ccc(Br)cc2)cc1 2314429194 ANHZBKFOGLXPOR-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE Sc1nnc(C2CCCC2)n1N=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1 2321928177 VTMNUCYOEQTMEC-UHFFFAOYSA-N 447.391 5.992 30 10 IKEE CC(C)OCCN1COc2ccc3c(c2C1)OC(=Cc1ccc(-c2ccccc2)cc1)C3=O 2322006948 PUKRBQOOXQNYKZ-UHFFFAOYSA-N 441.527 5.547 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1OC 2322348175 WOMNUBHCNWPIHZ-UHFFFAOYSA-N 442.486 6.471 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccccc2)c1OCc1nc(O)c2ccccc2n1 2322545800 WYMXTSGNNJWJSP-UHFFFAOYSA-N 446.890 5.473 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(C)cc1 2322646494 BDULUMHPHWOAHO-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3ccccc3c2C=CC(=O)c2ccc(C)c(C)c2)cc1 2322890017 KWHCQAQSZVPGES-UHFFFAOYSA-N 449.550 6.679 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(=O)c4ccc(Cl)c(Cl)c4)ccc3C2=O)c1 2323258948 IKESUUSVQTXRJT-UHFFFAOYSA-N 441.266 5.837 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2323627365 QJYBLEDIGBJHPA-UHFFFAOYSA-N 434.831 5.101 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2OC)C3=O)c1 2323839130 LNKKGHVCRSCHEJ-UHFFFAOYSA-N 444.483 5.628 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1 2323921352 ODEYDSNWXXILRV-UHFFFAOYSA-N 441.354 7.257 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OCc3c(Cl)cccc3Cl)c(Cl)c2)ccc1F 2323969265 CSRCYZRZFJNTLF-UHFFFAOYSA-N 449.736 7.569 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OCc3nc(O)c4ccccc4n3)c(Cl)c2)ccc1F 2323969294 IXZOHBDVBLUWAB-UHFFFAOYSA-N 448.881 5.911 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(OC)ccc2OC)cc(OC)c1OCc1ccccc1 2324029892 QCORSDGMVIZVCO-UHFFFAOYSA-N 444.527 5.916 30 10 IKEE CCOc1ccccc1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccco1)C2=O 2324325304 YVFWWJLIRPCMCE-INIZCTEOSA-N 433.460 5.009 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccc(C)cc2)C3=O)cc1 2324490813 QRSOPNLBQPVFLU-IBGZPJMESA-N 441.527 5.888 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OCC(=O)Nc3nccs3)c(Cl)c2)c(C)c1 2324546055 YPQWUAFRSCFXLD-UHFFFAOYSA-N 440.952 5.635 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc(Cl)c1OCCCO 2324581218 AUXQJEWYEHHUEH-UHFFFAOYSA-N 430.972 6.002 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3cccc([N+](=O)[O-])c3)n2)c(C)c1C 2324706265 ICOBOQDEZSYOGR-IBGZPJMESA-N 433.489 5.233 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCCC(=O)Nc4ccc(C)cc4)ccc3C2=O)cc1 2325225564 YPRXLOGLVQMSPD-UHFFFAOYSA-N 427.500 5.581 30 10 IKEE CC(C)c1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1 2325318341 WVOVKUDMWAJZNM-UHFFFAOYSA-N 431.463 5.583 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccc(Cl)cc4F)c3C)C2=O)o1 2325490991 KTOYVTSVLKIFAF-UHFFFAOYSA-N 441.842 5.323 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(Cl)cc1Cl 2325610192 UJLDOKWMLSXKEM-UHFFFAOYSA-N 425.772 5.975 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC)c(OC(=O)CSc3ccccc3)c2)c1 2325707016 NPYIGQPXJIBIPK-UHFFFAOYSA-N 434.513 5.298 30 10 IKEE Cc1ccc2oc(=O)cc(COc3ccc4c(c3C)OC(=Cc3cccs3)C4=O)c2c1 2325741626 LGMCSUDVMKAOFR-UHFFFAOYSA-N 430.481 5.667 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OC(=O)c1cccc(Cl)c1 2325750414 RAUDDDDQKZMUKE-UHFFFAOYSA-N 434.919 6.587 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OC(=O)c1cccc2ccccc12 2325759762 PUZLJYOWYQXNSC-UHFFFAOYSA-N 436.507 6.581 30 10 IKEE CCCCCCCCCCNC(=O)C=Cc1ccc(OCc2ccccc2Cl)cc1 2327470763 KSYQNCFGPIUGDN-UHFFFAOYSA-N 428.016 7.189 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccc(C(C)C)cc1 2327567436 NVHXIOFFRSXOMD-UHFFFAOYSA-N 426.973 5.794 30 10 IKEE Cc1cccc(OCc2nnc(SCc3ccccc3F)n2N=Cc2cccn2C)c1C 2328848192 PMJCBYYAVMGJGH-UHFFFAOYSA-N 449.555 5.126 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1ccc(F)cc1F 2328945550 NOJCLPWQSHYNII-UHFFFAOYSA-N 426.536 5.509 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccccc3Cl)n2N=Cc2ccc[nH]2)cc1 2329605615 JXIKNAUUTKUPNR-UHFFFAOYSA-N 428.348 5.755 30 10 IKEE CCSc1nnc(Cc2ccc(F)cc2)n1N=Cc1ccc(OCc2ccccc2)cc1 2329827283 ZKGRXNRZQBTIPB-UHFFFAOYSA-N 446.551 5.581 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2cccc3ccccc23)n1N=Cc1cccnc1 2330124164 ITACTONXZNOWRO-HXUWFJFHSA-N 449.583 6.153 30 10 IKEE COc1cccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccccc2C)c1 2330164697 YVUDJRGYWHRTBF-UHFFFAOYSA-N 442.588 5.555 30 10 IKEE Fc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2-c2cccs2)cc1 2330621525 VAWIGLYUROIHFV-UHFFFAOYSA-N 446.935 6.113 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OC(=O)CC(C)(C)C 2330682948 LJSMNSAVLFFGBT-UHFFFAOYSA-N 436.548 5.820 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)cc(Cl)c1OC(=O)c1ccco1 2330785980 HECPFNZIUIHSGB-UHFFFAOYSA-N 426.852 5.456 30 10 IKEE CCSc1nnc([C@H]2CCCO2)n1N=Cc1ccccc1OCc1ccccc1Cl 2330943823 MTPRBHGABSZEBQ-HXUWFJFHSA-N 442.972 5.356 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SCCC)nnc2[C@@H]2CCCO2)cc1OCC 2330976827 GWOSLUOQKNCUHN-FQEVSTJZSA-N 446.617 5.482 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OC(=O)c1cccc([N+](=O)[O-])c1 2331159639 WKDGIAOFOFCZIG-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccco3)c(Br)c2)cc1 2331198478 WIGSFAZOSOYFQP-UHFFFAOYSA-N 441.277 5.556 30 10 IKEE Clc1cccc(C=Nn2c(SCc3cccc4ccccc34)nnc2-c2ccco2)c1 2331222322 DSDLBGKOZQGMJK-UHFFFAOYSA-N 444.947 6.519 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccco3)c(Br)c2)c(C)c1 2331224493 WTEZIOGFNSJAGP-UHFFFAOYSA-N 425.278 5.774 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)C(F)(F)F 2331225291 CPXHLDSYEJVRKW-UHFFFAOYSA-N 426.818 5.719 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 2331231643 KZZRDKOAXIZOGT-UHFFFAOYSA-N 445.471 5.726 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3)cc2Cl)cc1OC 2331260358 YMPDTHMRHOKWFE-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE CCc1ccc(C(=O)Oc2c(Cl)cc(C=CC(=O)c3cc(C)ccc3C)cc2OC)cc1 2331312711 PXBFELSDLZUOAD-UHFFFAOYSA-N 448.946 6.643 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1ccc2c(c1)OCO2 2331345492 OQXNOMNVNCNRHS-UHFFFAOYSA-N 448.446 5.377 30 10 IKEE Cc1ccc(C=Nn2c(CC(C)C)nnc2SCC(=O)Nc2cc(C)ccc2C)cc1 2331429477 ZEIFGDIJXMUYCT-UHFFFAOYSA-N 435.597 5.015 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2)c1 2331491648 ZBYOUUCZGXYJOW-UHFFFAOYSA-N 442.555 6.779 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CCC2)cc1 2331541603 LPUJCQCRMFDVAX-UHFFFAOYSA-N 439.028 6.671 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NC)c1c(C)c(C)c(Br)c(C)c1C 2372262497 HZTRGKSFKJDMPB-PXNSSMCTSA-N 437.422 5.250 30 10 IKEE C=CCn1c(SCc2ccc(C(=O)O)cc2)nc2scc(-c3ccccc3)c2c1=O 9041656 IKZDWLOIQMSSKZ-UHFFFAOYSA-N 434.542 5.302 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3Cl)nn1[C@H]2c1cc[nH]c1 19630951 KZQJUNYAJLLCNF-IBGZPJMESA-N 439.972 5.210 30 10 IKEE COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(F)cc2)c1 21259619 YTQILNWGOWTVSW-SOKVYYICSA-N 444.506 5.822 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OCC(=O)c3ccc(Br)cc3)ccc2C1=O 33367644 GGUOWMBOYREEKE-FMCGGJTJSA-N 449.300 5.635 30 10 IKEE C[C@@H]1Oc2ccccc2C=C1/C=C1/Oc2cc(OCc3cccc(Cl)c3)ccc2C1=O 33578378 KOEWWJHCGXOYSZ-WJNWYLSZSA-N 430.887 6.243 30 10 IKEE Cc1cccc2c1[nH]c1nc(N/N=C\c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nnc12 36032851 JSGSQNUPGXUIHP-ZMFRSBBQSA-N 430.556 5.561 30 10 IKEE CCCCn1c(O)c(C(=O)c2sc3cc(Cl)ccc3c2Cl)c(C)c(C#N)c1=O 38616649 BDUHGHGCESIYOJ-UHFFFAOYSA-N 435.332 5.287 30 10 IKEE CCc1ccc(Nc2sc3c(-c4ccccc4)c(C#N)c(N)nc3c2C(=O)NC)cc1 39895261 VKBSAVMEIBAGDA-UHFFFAOYSA-N 427.533 5.083 30 10 IKEE Cc1ccc(CN2COc3cc(C)c4c(c3C2)O/C(=C\c2cccc([N+](=O)[O-])c2)C4=O)cc1 41645931 ADBYNXUJERBRQH-FMCGGJTJSA-N 442.471 5.180 30 10 IKEE COc1ccc2nc([C@H](C)NC(=O)c3ccc(C#N)cc3)n(Cc3cccc(Cl)c3)c2c1 43255172 SUNVOYUVTRHGTI-INIZCTEOSA-N 444.922 5.109 30 10 IKEE CCCCCCCCCCCCCCCCn1c(Cc2cccs2)nc2ccccc21 101906643 YVKVDMUCILFIDW-UHFFFAOYSA-N 438.725 9.170 30 10 IKEE CC1(C)C(=S)N(c2ccccc2Cl)/C(=N\C2CCCCC2)[C@@H]1N1CCSCC1 105421712 KIBGZXXEKNJNQP-HDNKBODISA-N 436.090 5.662 30 10 IKEE O=C(Nc1ccc(F)c(C(F)(F)F)c1)C1(c2cccc(C(F)(F)F)c2)CCOCC1 109283685 MAOMRUHJVKFSJZ-UHFFFAOYSA-N 435.339 5.550 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)ccc1OCC(=O)Nc1ccc(C)cc1 164442692 KRECHWVJICGHKV-GXDHUFHOSA-N 445.515 5.316 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)c1 165746617 JIRJCFIZZKWQCE-IZZDOVSWSA-N 449.459 5.096 30 10 IKEE CCCN1C(=S)N[C@H](c2ccc(OC(C)C)c(OC)c2)C(C(=O)c2ccccc2)=C1C 169928762 UAEAVKFFWRXUQE-HSZRJFAPSA-N 438.593 5.281 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)CCc2ccccc2)=C(O)C(=O)N1c1ccc(C)cc1C 169945407 BATZNZMLNFCXIM-SANMLTNESA-N 441.527 5.414 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(OC(C)C)cc2)ccc1F 169977462 ZMJAESAUYXHGBI-XMMPIXPASA-N 445.490 5.704 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1cccs1)c1cc2ccccc2o1 169983872 MFDVGSPUWLWBDC-FQEVSTJZSA-N 437.423 5.555 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccs1 169984300 ZFDRGLUAEJXUHR-LJQANCHMSA-N 427.884 5.632 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2ccc(F)cc2)=C(N2CCC(C)CC2)C1=O 169985738 VRALPBYQLGQLOY-UHFFFAOYSA-N 428.592 5.778 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccc(F)cc2)cc1 170062058 XDRUWLOJYOUKTB-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1cccc(C)c1 170141914 NCMKZLMYUKWOQK-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1cccs1 170159424 JACHHGKAVUQDTQ-FQEVSTJZSA-N 439.920 5.501 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccncc2)cc1C(C)C 170198183 IVSIUNNXVZGBPS-JOCHJYFZSA-N 448.544 5.054 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccccc1)c1c[nH]c2ccccc12 170226395 HTDOVHVFULEDPS-QFIPXVFZSA-N 428.875 5.604 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccc(F)cc2)cc1 170239825 MVKGECBZMZTKBE-RUZDIDTESA-N 441.502 5.796 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@@H]1c1ccc(F)cc1 170240336 UMHDYWAQLAGOSA-DEOSSOPVSA-N 443.474 5.242 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C2CCCC2)cc1 170246299 OQSRXLGKXYBMBT-SANMLTNESA-N 439.555 6.484 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccco1)c1cccc2ccccc12 170286619 FWHZEKPCHGGWLK-JOCHJYFZSA-N 429.859 5.869 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccco2)cc1C(C)C 170287474 MNIGSVUEFLGGMJ-XMMPIXPASA-N 445.515 5.893 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1c(C)[nH]c2ccccc12 170312285 JWQKPFSLJRUVPY-XMMPIXPASA-N 446.547 5.499 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(Cl)cc(Cl)c2)c1 170388531 RMLAMOZNIXOVAB-OAQYLSRUSA-N 438.310 6.085 30 10 IKEE N#Cc1ccc(Nc2ccc(Br)cc2Br)cc1Br 228180940 RDBBRQFTXKRNFN-UHFFFAOYSA-N 430.925 5.589 30 10 IKEE CCOc1cccc(-c2n[nH]c(=S)n2N=Cc2cccc(OCc3ccccc3)c2)c1 254404651 BWYLRHXGUDXJJC-UHFFFAOYSA-N 430.533 5.468 30 10 IKEE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=NO)C(=NO)C[C@]4(C)[C@@H]3CC[C@@]12C 254466853 HVEXIRSOIACQFA-KCXURJSYSA-N 430.677 7.378 30 10 IKEE COc1ccc(-c2oc(N=Cc3ccc(O)cc3O)c(C#N)c2-c2ccc(OC)cc2)cc1 254716386 ZWONKGKGRLMVDS-UHFFFAOYSA-N 440.455 5.664 30 10 IKEE Cc1ccc(N=C(c2ccccc2)N(C(=O)c2ccc(Cl)cc2)c2ccc(C)cc2)cc1 254740356 QVRBNDDIVGVFLV-UHFFFAOYSA-N 438.958 7.382 30 10 IKEE CC(C)COc1ccc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526488660 LSFQILGTBHLYQQ-HSZRJFAPSA-N 430.529 5.712 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(C)o2)cc1OCC 526489137 GIQUVMKCPSDWKI-XMMPIXPASA-N 444.487 5.314 30 10 IKEE Cc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccc(Cl)c2Cl)cc1 526609253 TUKIJZNMILMLQS-QFIPXVFZSA-N 435.310 6.231 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1ccc(Cl)cc1Cl 526805258 JKLSNNCMSUEKMV-CFRMEGHHSA-N 433.408 6.410 30 10 IKEE COc1cc(C)c(C)cc1S(=O)(=O)N(CCC1=CCCCC1)Cc1cccc(C#N)c1 586161481 SQKJOZKWNBAANJ-UHFFFAOYSA-N 438.593 5.265 30 10 IKEE CC(C)(C)c1csc(NC(=O)c2ccc(NC(=O)NC3CCCCCC3)cc2)c1C#N 586632758 JQGHBWJSSDOTBH-UHFFFAOYSA-N 438.597 6.014 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@](C)(C#N)Cc1ccc(Cl)cc1 698497744 ODHKCWKKYWKRGS-NRFANRHFSA-N 449.776 6.369 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 698886795 VWYZJHBXIXXLOO-MBSDFSHPSA-N 433.524 5.249 30 10 IKEE Cc1ccc([C@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)c(C)c1Br 719525190 QNKCNXHNVWCFFJ-KRWDZBQOSA-N 435.387 6.129 30 10 IKEE O=C(CSc1ccc(C=NNc2ccc([N+](=O)[O-])cc2)o1)Nc1ccc2ccccc2c1 1083931601 JEJNSNQHYNRRSS-UHFFFAOYSA-N 446.488 5.518 30 10 IKEE CCOC(=O)C(=NNc1ccc(OC)cc1)Sc1nc2ccccc2n1-c1ccccc1 1084303169 FAEINWIHLUVYGB-UHFFFAOYSA-N 446.532 5.115 30 10 IKEE CCOC(=O)/C(=C/Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C(=O)c1ccccc1 1088686237 RCDNWWFYABDERW-HFGSDPQMSA-N 444.918 5.737 30 10 IKEE O=C1/C(=C/c2cccc3ccccc23)SC(=Nc2cccnc2Cl)N1c1ccccc1 1772733017 IVMRVTSJVHUEPY-KOKPDDJTSA-N 441.943 6.697 30 10 IKEE CN1C(=O)/C(=C\c2cccc3ccccc23)SC1=Nc1nc(-c2ccccc2)cs1 1772735858 HLVUPOVAQIFUPS-MALGGUPZSA-N 427.554 6.197 30 10 IKEE CCCCCn1c(O)c(N=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)c(C#N)c1=O 1772741477 OVFPXPZVWPTZSF-UHFFFAOYSA-N 437.378 5.267 30 10 IKEE CCCCOc1ccc(/C=C2\SC(=Nc3ccc(O)cc3)N(CC)C2=O)cc1OC 1772763385 CAHFJWSGBWJQIH-IRZHRRCCSA-N 426.538 5.204 30 10 IKEE COc1ccc(CN(Cc2cccnc2)C(=O)c2cccc(C#N)c2)cc1OC1CCCC1 1857973631 OPXBYZSXRWTAHN-UHFFFAOYSA-N 441.531 5.126 30 10 IKEE CCc1nc2ccccc2n1-c1ccc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 1859759788 OXPZUAKNLQSGLL-UHFFFAOYSA-N 426.545 5.652 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCC)NC(=O)CCc1ccc(Br)cc1 1861103985 VBIFWBKGAIYNGZ-FQEVSTJZSA-N 439.438 5.143 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)[C@H](C)Oc1ccccc1C(C)C 1861659724 UCWUOVCUWVBPLI-LADGPHEKSA-N 444.660 5.825 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)[C@H](C)Oc1ccc(C(C)C)cc1 1861682926 MGJBSPLVWUWTKI-URXFXBBRSA-N 432.649 5.729 30 10 IKEE CCCOc1cc(-c2nc3ccc(C(=O)Nc4cccc(C#N)c4)cc3[nH]2)ccc1OC 1861859386 YKHACMMIZWATKD-UHFFFAOYSA-N 426.476 5.151 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@H]1c1ccccc1F)c1ccc(F)cc1F 1862411813 PPLPQQQUPACLHD-QFIPXVFZSA-N 443.465 5.795 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2cccc(C)c2)cc1OCCC 1862425882 HWMXZPXIQPQWSD-DEOSSOPVSA-N 449.547 5.313 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc(C)c2)cc1 1862475611 QKGZNUDOCUWASV-FQRUVTKNSA-N 439.555 6.205 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862479299 CVMKTSJKDUXMRS-VWLOTQADSA-N 447.575 6.085 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)cc1OC 1862481254 ARFHJAHNTCOKKS-WPSZSDGUSA-N 449.547 5.169 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)cc1O 1862492181 LJSMMIIXINKQFX-VWQFJMCTSA-N 449.547 5.175 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862497307 GVQQDFWXTDMLNK-VBKZILBWSA-N 442.899 5.242 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2cccc(F)c2)cc1 1862529219 CXQPCNUIGNKPHP-RUZDIDTESA-N 443.518 5.599 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C2CC2)cc1 1862584977 LWARQQIIYLZCPN-HXUWFJFHSA-N 444.358 6.032 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2ccccc2C)cc1 1862589784 TZPSXKVGGGQARJ-AVRWGWEMSA-N 441.527 5.603 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc2cc[nH]c2c1)c1cccc2ccccc12 1862651463 SYVYEEQCDPPFGV-VWLOTQADSA-N 436.511 5.842 30 10 IKEE COc1cc([C@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2C(C)C)ccc1O 1862728152 URJVYFOJQVVUGF-DEOSSOPVSA-N 443.499 5.055 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)cc1F 1862751719 OYJXJGABRQQMGU-FQEVSTJZSA-N 444.434 5.032 30 10 IKEE Cc1ccc(Cl)cc1NC1=C(c2ccc(Cl)cc2)C(=O)N(c2ccccc2C#N)C1=O 1862805491 WYSHRPQULWDTIA-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(C(C)(C)C)cc3)C2=O)cc1C 1862873860 KOARDBXQULDNOF-UHFFFAOYSA-N 449.554 5.869 30 10 IKEE CCCCc1ccc(NC2=C(c3ccc(C)c(C)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862880085 VEONQOHGZOBNEZ-UHFFFAOYSA-N 449.554 5.914 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccc(F)c(Cl)c3)C(=O)N(c3ccccc3C#N)C2=O)c1 1863037044 RUAYTBHQIKZLGQ-UHFFFAOYSA-N 445.881 5.364 30 10 IKEE CCCCCCCCNC1=C(c2ccc(F)cc2F)C(=O)N(Cc2ccccc2)C1=O 1863651370 QWASYECSNZCEGE-UHFFFAOYSA-N 426.507 5.195 30 10 IKEE CCCCCCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2CC)[C@H]1c1ccco1 1864476725 RDZKCIVERVDXFD-OAQYLSRUSA-N 442.604 5.010 30 10 IKEE CCCC[C@@H](NC(=O)C[C@@H](c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1ccc(C#N)cc1 1866724572 LFTWKIVMPIYUBY-JWQCQUIFSA-N 431.580 5.373 30 10 IKEE CN(CC(C)(C)c1ccccc1)c1cc(Nc2ccc(C#N)cc2)nc(-c2cccnc2)n1 1868576905 ZYZSJUZNKHNZFH-UHFFFAOYSA-N 434.547 5.568 30 10 IKEE C=CCN(CC=C)c1cc(N2CC(C)(C)c3ccccc3[C@H]2c2ccccc2)nc(CC)n1 1869138330 LFOQHANGMIHNIB-MUUNZHRXSA-N 438.619 6.105 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3cc(OC)c(OC)cc32)nc(-c2ccccc2)n1 1869211181 GNZBUWJFFOXFQJ-UHFFFAOYSA-N 428.536 5.033 30 10 IKEE CCCCCCCOc1cn(CCCCN(CC)CC)c(CN(CCC)CCC)cc1=O 1870411497 BMYXCFIKRDZSJZ-UHFFFAOYSA-N 449.724 5.942 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(O)cc2)c(CN(C)Cc2ccccc2)cc1=O 1870416718 MCKAQUNZMAMHLO-UHFFFAOYSA-N 448.607 5.583 30 10 IKEE CCCCCCCCCCN=c1[nH]c(Nc2ccc(Cl)c(Cl)c2)ncc1[N+](=O)[O-] 1871301872 ADSDZNWJHAPTBT-UHFFFAOYSA-N 440.375 6.410 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O)c1cc([N+](=O)[O-])ccc1Cl 1871373028 XOOJCIXEMQGRRW-UKWGHVSLSA-N 439.782 5.223 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871375352 HFXDPCLYLBMDSR-UCQKPKSFSA-N 448.902 5.811 30 10 IKEE CC(C)C(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccs2)C3=O)c1 1871390177 JQPTWIYOZXOUJB-BKUYFWCQSA-N 434.469 5.145 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc(O)c2CN2CCCc3ccccc32)C1=O 1871395420 RKAJWFUJYOFDHR-XYGWBWBKSA-N 427.500 5.360 30 10 IKEE Cc1cc(OCCCCOc2ccccc2)cc2c1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O2 1871403018 ANDJECRUWAGJPY-JLPGSUDCSA-N 445.471 5.757 30 10 IKEE COc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccccc4Cl)ccc3C2=O)cc1 1871409139 YCMOYTMECIPQRS-KSJDGYIASA-N 449.890 5.371 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C)cc4Cl)ccc3C2=O)cc1 1871436339 VUPFFCPWZWUIMQ-FMCGGJTJSA-N 433.891 5.591 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OCC(=O)NCc4ccccc4Cl)c3C)C2=O)c1 1871445466 AEIBICKWDGJZBB-QRVIBDJDSA-N 447.918 5.268 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc3c(c2C)O/C(=C\C=C\c2ccccc2)C3=O)c1 1871454560 REMFMNAVTXIOQF-BDUSHXLBSA-N 439.511 5.802 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 1871834299 BFKZQDOPQLHVJX-QHCPKHFHSA-N 428.598 5.184 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Cl)c(C)c1)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1872316216 WXOVRUSTKHQIAK-HTAPYJJXSA-N 449.016 5.269 30 10 IKEE C=CCN([C@H](CC)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872451194 VYYQVJMXEWJPSN-HSZRJFAPSA-N 428.598 5.021 30 10 IKEE CCCCCCCCCCNC(=O)c1nonc1OCc1ccc(Cl)c(Cl)c1 1872710918 PQWGPDNARFHDBQ-UHFFFAOYSA-N 428.360 5.826 30 10 IKEE Cc1sc(C2=C(N)N(c3cccc(Cl)c3Cl)CC2=O)nc1-c1ccc(F)cc1 1872726154 MUOUVSYRNHMMCS-UHFFFAOYSA-N 434.323 5.281 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3Br)n2)cc1OC 1872761189 IBFBZJDPBXOUPH-AWEZNQCLSA-N 443.322 5.080 30 10 IKEE COc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(OC)c1 1872762529 PJDFTTQJAFCZNN-MRXNPFEDSA-N 447.343 5.553 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)COc3cc(C)c(Cl)c(C)c3)n2)cc1 1872768670 ZBHRLRDUCHUHJL-IBGZPJMESA-N 440.952 5.734 30 10 IKEE Cc1cc(-c2csc([C@H](C#N)C(=O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)ccc1F 1872773162 XSHFVLZSGMJFCE-LSTHTHJFSA-N 447.535 5.044 30 10 IKEE COc1ccc(CC(=O)[C@H](C#N)c2nc(-c3cccc4ccccc34)cs2)c(OC)c1 1872774977 HXMNIXYKNGSLLM-NRFANRHFSA-N 428.513 5.399 30 10 IKEE CCCCCCCOc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(F)cc3)n2)cc1 1872775819 BGFWXGRKBVYIRS-JOCHJYFZSA-N 436.552 6.788 30 10 IKEE CCc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2cc(C(C)C)c(OC)cc2C)cs1 1872779812 RSGABNXCTXZHGR-OAQYLSRUSA-N 448.588 6.068 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(Cl)c(Cl)c3)n2)cc1C 1872783307 WKDFNZRXRLCQPQ-ZGRWHYIRSA-N 427.356 6.623 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)/C=C\c2ccc(Cl)cc2)n1 1872785954 XVBRZSGPVUVHBW-PRUHCIRGSA-N 434.992 6.959 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(Cl)cc3)n2)c2ccccc12 1872787871 AEBVLSLCPVMZRE-HXUWFJFHSA-N 448.931 5.881 30 10 IKEE C=CCc1ccccc1OCc1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1 1872859631 ZSRNBZAVXBXUOO-UHFFFAOYSA-N 434.539 6.990 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2[C@H](C)CC)=C(c2cccc(Br)c2)C1=O 1873228659 WNJPTRCNMLLIPH-OAHLLOKOSA-N 439.353 5.341 30 10 IKEE CCCCCCN1C(=O)C(Nc2ccccc2C#N)=C(c2c(Cl)cccc2Cl)C1=O 1873291180 NRUNJEWIPWVIOL-UHFFFAOYSA-N 442.346 5.637 30 10 IKEE CCCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccccc1OC 1874232401 LPJAYUHZSYMXFR-NLRVBDNBSA-N 430.577 5.609 30 10 IKEE Cc1ccc(C)c(OCc2nnc(SCc3ccccc3)n2/N=C/c2cccnc2)c1C 1874255214 PTFWUSFGSHTMIG-JFLMPSFJSA-N 443.576 5.352 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3cccc(C)c3)n2/N=C/c2cccn2C)cc1 1874301575 GIZCMYXPYGWOCY-YZSQISJMSA-N 445.592 5.089 30 10 IKEE CCCSc1nnc(CCc2cccc(OC)c2)n1/N=C/c1ccc(Cl)cc1Cl 1874312181 HFWPIUSXVKYZHT-ZVHZXABRSA-N 449.407 5.763 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1cc(Cl)ccc1O 1874320251 ICLFPVZOPNYCNA-BHGWPJFGSA-N 442.972 5.383 30 10 IKEE Cc1cccc(OCc2nnc(SCCc3ccccc3)n2/N=C/c2ccncc2)c1C 1874324784 NGJUVNGXXRORDM-WPWMEQJKSA-N 443.576 5.086 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3C)n2/N=C/c2cccnc2)c(C)c1 1874325507 SKYQJEZEYNMKAF-JFLMPSFJSA-N 443.576 5.352 30 10 IKEE Cc1ccc(/C=N/n2c(COc3ccc(C)cc3C)nnc2SCc2ccccc2)cc1 1874327668 WDTFUSOVZNATTR-JVWAILMASA-N 442.588 5.957 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(COc2ccc(C)cc2C)nnc1SCC=C 1874329315 JCSSNIQXOQKMKE-PCLIKHOPSA-N 434.565 5.199 30 10 IKEE C=CCSc1nnc(CCOc2ccccc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874346840 JMAUIXAECHPXTI-OEAKJJBVSA-N 433.364 5.367 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1ccccc1 1874392074 CLKLKMOHZSQMNH-OJWZXOLNSA-N 441.560 5.043 30 10 IKEE CCCSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874399305 MCTCTQRLPXIYEM-OAKZWBAKSA-N 438.597 5.610 30 10 IKEE Cc1cccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2cccc(Cl)c2)c1 1874408639 HNVCIJZBBIXOJJ-WGOQTCKBSA-N 439.028 6.537 30 10 IKEE C(=N/n1c(CC2CCCCC2)nnc1SCc1cccc2ccccc12)\c1cccnc1 1874409470 YVFGSQSEOCROBS-MTDXEUNCSA-N 441.604 6.124 30 10 IKEE CCCOC(=O)CSc1nnc(CC2CCCCC2)n1/N=C/c1ccc(C(C)C)cc1 1874410944 DGUQATGEQGBPLU-PCLIKHOPSA-N 442.629 5.452 30 10 IKEE CCOc1cccc(/C=N/n2c(Cc3ccccc3)nnc2SCCc2ccccc2)c1 1874416973 RLEIRDDSMXHFKW-NHFJDJAPSA-N 442.588 5.485 30 10 IKEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3ccccc3C)nnc2-c2cccs2)c1 1874422006 PBQIOZDNHRISFW-ZVHZXABRSA-N 447.589 5.236 30 10 IKEE C=CCSc1nnc(-c2cccs2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874423195 ZIZAYFYMVGVLLZ-LFVJCYFKSA-N 432.574 5.746 30 10 IKEE Clc1cccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CCCC2)c1 1874456464 TZBNNSCTMONJEC-JVWAILMASA-N 447.007 6.917 30 10 IKEE CCCOc1ccccc1/C=N/n1c(COC)nnc1SCc1ccc(Cl)cc1 1874502954 IRUABYIEHDIZGQ-YDZHTSKRSA-N 430.961 5.041 30 10 IKEE CCCSc1nnc(CCC)n1/N=C/c1ccc(OCc2ccccc2)c(OCC)c1 1874508603 MFDHWHGGOVPKDO-KOEQRZSOSA-N 438.597 5.593 30 10 IKEE Cc1nnc(SCCc2ccccc2)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874531590 QWCAQVVWMPCVGZ-NLRVBDNBSA-N 442.544 5.023 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Br)cc(Br)c2OC)cc1 1874578052 SRSDVAAKNZBNMJ-RMKNXTFCSA-N 440.131 5.515 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(Cl)cc2)c1OCc1c(Cl)cccc1Cl 1874578614 XSXZJLHPMJETQQ-JLHYYAGUSA-N 447.745 7.131 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1cccc(/C=C/C(=O)c2ccc3ccccc3c2)c1 1874592861 GASSMYJBSXONGS-DTQAZKPQSA-N 435.523 6.370 30 10 IKEE Cc1ccc(NC(=O)COc2cccc(/C=C/C(=O)c3ccc4ccccc4c3)c2)cc1C 1874592923 JMTAETYHPNHIAH-RVDMUPIBSA-N 435.523 6.370 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(CCCC)cc2)cc(OC)c1OCc1ccccc1 1874607372 KZRJGFZFOQITJW-KNTRCKAVSA-N 440.583 7.241 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl)Nc1ccccc1 1874611024 XXZRGGNXKRVAJU-WUXMJOGZSA-N 436.851 5.162 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccc(OCC(=O)OCC(C)C)cc1 1874628614 MFHCWFZPZPTJJD-RMKNXTFCSA-N 437.319 5.476 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3F)c(Br)c2)cc1C 1874631716 QJQISZOAPKNRIB-DHZHZOJOSA-N 439.324 6.680 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCc3ccc(C)cc3)c([N+](=O)[O-])c2)cc1C 1874636726 PGZHFKIYAQAFGS-PKNBQFBNSA-N 431.488 6.004 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3cc(C)ccc3C)c2)cc1OC 1874694112 LXZCZRVVUMPDOF-ZRDIBKRKSA-N 430.500 5.365 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3c(OC)cccc3OC)c2)c(C)c1C 1874712270 RNFXBSBBLDSQBQ-WYMLVPIESA-N 446.499 5.445 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)cc1OC(=O)c1ccco1 1874712373 VPCRHPPOMAVKIE-FNORWQNLSA-N 447.270 5.719 30 10 IKEE Cc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)cc2Cl)c1 1875097321 FYLLPHCJVGBUTN-UKTHLTGXSA-N 430.931 6.643 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1 1875100071 MJXYIFXITCOWEA-VGOFMYFVSA-N 435.863 5.926 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)cc1 1875100233 VBLLSWRBUYEEGT-VGOFMYFVSA-N 435.863 5.926 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc(OC)c1OC(=O)CC(C)C 1875103883 UWVCURFBFUDERT-PKNBQFBNSA-N 438.520 5.289 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3Cl)c(OC)c2)cc1 1875114990 HJSNXLCEUMHHRS-NTUHNPAUSA-N 436.891 5.401 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)[C@@H](C)c1ccccc1 1875129240 QTCIXAHHHBRFKK-NIQRWSHPSA-N 426.512 6.029 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)c([N+](=O)[O-])c2)cc1 1875136091 WUZQCXHEKBJKGS-IZZDOVSWSA-N 446.415 5.235 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(OCC(C)C)cc1 1875159228 IKRLNYOJQHZGSX-LNKIKWGQSA-N 448.490 5.984 30 10 IKEE N#CC1(c2ccccc2)CCN(S(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)CC1 1891675384 CNHRPOMYVQFPJC-UHFFFAOYSA-N 436.964 5.253 30 10 IKEE C=C(C)CCSC(C)(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1892307270 IPSVZYTZCQYTSS-JOCHJYFZSA-N 439.577 5.456 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C 1922076637 HCEIMAHHKAOLAG-SGNDLWITSA-N 430.633 5.601 30 10 IKEE C#CCCCCC[C@@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 1947484322 JMSKEYWWBMQJDJ-BJKOFHAPSA-N 430.633 5.439 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2020299119 HECDECXCBBKPOJ-KOSHJBKYSA-N 429.561 5.357 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C 2032000334 NZTWFXITTHVGEV-WYEJZRMESA-N 443.588 5.664 30 10 IKEE CCN[C@H](CC#CC1CCCCC1)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2032498780 ACVGKBNROODQTE-GPUOULLFSA-N 442.644 5.437 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@]1(C#N)CN(Cc2ccccc2)C2(CCC2)C1 2037915062 RXDWCACKUKCKBC-MHZLTWQESA-N 437.628 6.037 30 10 IKEE O=C(C=Cc1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(N2CCOCC2)cc1 2040963605 MRPWWQUBTFOASD-UHFFFAOYSA-N 428.315 5.986 30 10 IKEE C=C1CCC(C[C@@H](NC)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)CC1 2041894870 WNVZJPBAKCYSEX-SQHAQQRYSA-N 442.644 5.555 30 10 IKEE CC=C1C(=O)[C@@H]2[C@H](CC[C@]3(C)[C@H]([C@@H](C)CCC(=O)OC)CC[C@@H]23)[C@@]2(C)CC[C@H](O)C[C@H]12 2054110565 SXDZXAFUWCERDJ-FZPOMIRPSA-N 430.629 5.331 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@H]2C2CC2)cc1 2067979881 MHAPHWQYEMHKMM-CPJSRVTESA-N 441.572 5.418 30 10 IKEE CCc1nn([C@H](c2ccc(C3CC3)cc2)C2(C)CC2)c(I)c1C#N 2079007592 VVPWRZCLLUCFSB-GOSISDBHSA-N 431.321 5.189 30 10 IKEE CC1([C@@H](c2ccc(C(F)(F)F)c(F)c2)n2nc(C(F)(F)F)c(CN)c2Cl)CC1 2079849332 VRDYFBHTVNCOFV-CYBMUJFWSA-N 429.767 5.561 30 10 IKEE CC(C)c1ccc([C@@H](C(C)C)n2nc(C3CC3)c(C#N)c2I)cc1 2079929607 XKMNOXLUEZCQID-LJQANCHMSA-N 433.337 5.606 30 10 IKEE Clc1ccc(N=C2N[C@@H](C3CCC3)CS2)c(Cl)c1I 2093947627 AIPATYDUJLZFIO-SNVBAGLBSA-N 427.138 5.091 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C=CC(=O)c2cccc(Br)c2Cl)cc1 2136577742 UISLPDQHZAXKMX-UHFFFAOYSA-N 436.733 6.346 30 10 IKEE C=CCCCCCC[C@H](NN)c1cc(Br)ccc1I 2141919728 RXTLJVIWWWLGJY-HNNXBMFYSA-N 437.163 5.085 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1ccc2[nH]ccc2c1 2145027998 IIKPHACYRRFXKW-LJQANCHMSA-N 426.314 5.937 30 10 IKEE CC(C)C[C@@H]1CNCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2149843183 NXVURISCCJYDSG-IERDGZPVSA-N 436.394 5.109 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)Nc2cc(F)cc(C#N)c2)c1 2181044691 IMQNEPUWLLDBJB-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)NC2(C#N)CCCCCC2)c1 2181054288 VGEMXZSEGCNBTP-UHFFFAOYSA-N 436.350 5.142 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(C)c(Br)c(C)c1 2235600933 TVMKUHRTNXMKTD-ICSRJNTNSA-N 437.422 5.413 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)c1cccc(NC(=O)OC(C)(C)C)c1 2262200533 SALVAUJMOGYGQI-HSZRJFAPSA-N 441.524 5.339 30 10 IKEE Cc1cc(C(=O)N(Cc2ccccc2)[C@@H](C)C(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2267232337 PXFOMGVYRLPUKJ-FQEVSTJZSA-N 435.417 5.371 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Cl)cc1[C@@H](N)C#Cc1cccc(Br)c1 2278792513 BOLAZYINIGLAED-KRWDZBQOSA-N 435.749 5.501 30 10 IKEE C=C(COCc1ccccc1)[C@@](C)(OCCC(=O)O)c1cc(Br)ccc1F 2291122979 ZWGKXEJFWGHFPA-OAQYLSRUSA-N 437.305 5.068 30 10 IKEE O=C(C=Cc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccc(Br)cc1 2296818145 PJKJCKCWVXOKPG-UHFFFAOYSA-N 432.657 6.167 30 10 IKEE CCc1ccc2oc(-c3cc(N=Cc4cc(Cl)cc(Cl)c4O)ccc3O)nc2c1 2297708368 ZSTGTMNDNXJVAT-UHFFFAOYSA-N 427.287 6.526 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@H](C#N)[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C 2299174749 TZIZPOOLTOPRJQ-MSOLQXFVSA-N 449.979 5.619 30 10 IKEE O=C1C(=Cc2ccc(N3CCCCC3)o2)SC(=NC2CCCCC2)N1C1CCCCC1 2313560580 YMARKAUCJQUIKU-UHFFFAOYSA-N 441.641 6.208 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C2CC2)cc1 2320922040 LBEPSRPCXAWFLQ-UHFFFAOYSA-N 428.964 6.246 30 10 IKEE COc1cccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCc2ccc(C)cc2)C4)c1 2322220588 NVTLJCGIEZTKMI-UHFFFAOYSA-N 441.527 5.323 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1cccc(Br)c1)C3=O)CN(C1CCCC1)CO2 2322328503 DDSZWUIUQWIISG-UHFFFAOYSA-N 440.337 5.468 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCc3ccccc3F)ccc3ccccc23)cc1OC 2322348154 PVAXVMDOVYRRRN-UHFFFAOYSA-N 442.486 6.471 30 10 IKEE Cc1cccc(COc2ccc3ccccc3c2C=CC(=O)c2ccc(C(C)(C)C)cc2)c1 2322684267 WJXBATKERCOVIV-UHFFFAOYSA-N 434.579 7.921 30 10 IKEE Cc1c(OC(=O)C2CCCCC2)ccc2c1OC(=Cc1cccc(Br)c1)C2=O 2322747987 VMNVSKJLPNETKA-UHFFFAOYSA-N 441.321 5.859 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cc(Br)ccc2OCCCO)cc1C(C)C 2322792020 FFJYKAYANDQIBB-UHFFFAOYSA-N 447.369 5.547 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc3c(c2C)OC(=Cc2sccc2C)C3=O)c1 2322806963 VZQXFWXZNRXUHM-UHFFFAOYSA-N 436.485 5.218 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccccc1OCc1c(F)cccc1Cl 2322922543 PXFUWHXOKUBKCH-UHFFFAOYSA-N 445.317 6.925 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2ccccc2Cl)cc1Cl 2322981191 ILZJFZPZJVVZPG-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(-c4ccccc4)cc2)C3=O)cc1C 2323247765 LAKJLTNCJUIBHK-UHFFFAOYSA-N 446.502 6.806 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)cc(C)c2C1=O 2323327875 CSPYJLDIRMINQI-UHFFFAOYSA-N 436.916 6.253 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OCc1ccc(Cl)cc1 2323404197 HKTKKPMRJNHMOQ-UHFFFAOYSA-N 442.942 7.367 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OCCc3ccccc3)c(Br)c2)c1 2323486544 JZFIRTUQYTUYRS-UHFFFAOYSA-N 437.333 5.975 30 10 IKEE Cc1cc(OC(=O)c2cccc(OCC(C)C)c2)cc2c1C(=O)C(=Cc1cccs1)O2 2323580063 NLVSSPJXFRCXCE-UHFFFAOYSA-N 434.513 5.927 30 10 IKEE Cc1c(OC(=O)CCc2ccccc2)ccc2c1OC(=Cc1c(F)cccc1Cl)C2=O 2323721261 COZBVXURFUXISR-UHFFFAOYSA-N 436.866 5.942 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(C)cc2)C3=O)c(OC)c1 2323774981 KIFXTTPJLUPVOE-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE O=C1C(=Cc2c(F)cccc2Cl)Oc2c1ccc(O)c2CN1CCOc2ccccc21 2324154341 NJWHPMQXZXUJAN-UHFFFAOYSA-N 437.854 5.200 30 10 IKEE Cc1c(OCCOc2ccc(C(C)(C)C)cc2)ccc2c1OC(=Cc1cccs1)C2=O 2324690302 DXFIQFNQCZXNFC-UHFFFAOYSA-N 434.557 6.428 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@@H](C#N)C(=O)C=Cc2cccc(Cl)c2)n1 2324847667 UNCFPKCSTNICQP-KRWDZBQOSA-N 429.328 6.015 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OCc4cccc5ccccc45)ccc3C2=O)cc1 2325272498 GELCNOGBSUKHRX-UHFFFAOYSA-N 449.550 6.881 30 10 IKEE CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C)o2)C3=O)cc1 2325440461 QHMAEKNLFXSVEP-QGZVFWFLSA-N 445.471 5.121 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1cccc(F)c1 2325535513 PPUHEYOAVKBVQC-UHFFFAOYSA-N 437.371 6.241 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1c(F)cccc1Cl 2325610832 QALGTUVNAOUOLU-UHFFFAOYSA-N 427.307 5.600 30 10 IKEE O=C(C=Cc1ccc(Br)cc1F)C(=O)Nc1ccc(Nc2ccccc2)cc1 2325702587 QNTFOOYKHVLCBJ-UHFFFAOYSA-N 439.284 5.553 30 10 IKEE CCOc1ccc(CC(=O)Oc2cc(C=CC(=O)c3ccc(CC)cc3)ccc2OC)cc1 2325704168 UOQJRHDFKLPURM-UHFFFAOYSA-N 444.527 5.701 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1ccco1)C2=O)Nc1cc(Cl)cc(Cl)c1 2325707624 BKOSARGTAWFXRZ-UHFFFAOYSA-N 430.243 5.220 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)CCOC)c2)cc1OCCC 2325726901 IFYADFQDIBGNFP-UHFFFAOYSA-N 426.509 5.102 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccc(C)c(Cl)c4)c3C)C2=O)o1 2325729754 QWZVWSGSFIVUTC-UHFFFAOYSA-N 437.879 5.492 30 10 IKEE COc1ccc(NC(=O)COc2ccc3c(c2C)OC(=CC=Cc2ccccc2)C3=O)cc1 2325731957 VWTBYJFZTBPYNW-UHFFFAOYSA-N 441.483 5.194 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1OC(=O)c1ccc(Cl)c(Cl)c1 2325750846 PZCMEXCJABUPLK-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE COc1cccc(CCC(=O)Oc2cc(C=CC(=O)c3ccc(C)c(C)c3)ccc2OC)c1 2325759987 OLMMZEYKBPOEIY-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccc(O)cc1 2326014425 VJLZAWHQOVWESX-UHFFFAOYSA-N 442.972 5.199 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCC)n1N=Cc1c(F)cccc1Cl 2326458247 CFUQEWCOZXINMS-UHFFFAOYSA-N 446.935 5.209 30 10 IKEE CCn1cc(C=Nn2cnnc2SCc2ccc(Cl)c(Cl)c2)c2ccccc21 2326489237 FKBWEBCCWKXSOF-UHFFFAOYSA-N 430.364 5.734 30 10 IKEE Cc1cccc(OCCCc2nnc(SCCc3ccccc3)n2N=Cc2ccc[nH]2)c1 2327010623 XWFYEODAFNIGML-UHFFFAOYSA-N 445.592 5.143 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1c(F)cccc1Cl 2327576039 MQFDTDQLKYCKAE-UHFFFAOYSA-N 439.343 5.687 30 10 IKEE Cc1ccc(OCc2nnc(SCc3cccc(F)c3)n2N=Cc2ccccn2)cc1C 2328782192 RCZLZQIKFJWMRU-UHFFFAOYSA-N 447.539 5.183 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccco1 2329772791 APNSXTXSEHJHMQ-UHFFFAOYSA-N 426.904 5.429 30 10 IKEE C=C(C)CSc1nnc(Cc2cccs2)n1N=Cc1ccc(OCC)c(OCC)c1 2330390149 WOQSWQNLANLHQG-UHFFFAOYSA-N 442.610 5.278 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)c(C)c3)c([N+](=O)[O-])c2)c1 2330785566 INTPJERZMFHQJT-UHFFFAOYSA-N 449.434 5.095 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(Br)c1OC(=O)C(C)C 2330940537 RXCKZZJXDCQDLK-UHFFFAOYSA-N 437.717 5.569 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2[C@@H]2CCCO2)cc1 2330994503 KDQPVLGBVHXPNW-FQEVSTJZSA-N 442.972 5.356 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(OC)c(OC(=O)c2ccccc2C)c(OC)c1 2331056920 WPPMSXZUYZHJGN-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE Clc1ccccc1C=Nn1c(SCc2ccccc2Cl)nnc1C1CCCC1 2331077788 OFWMLGWRBAHSQE-UHFFFAOYSA-N 431.392 6.417 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] 2331129114 NOTYJSSTMJZUAX-UHFFFAOYSA-N 435.863 5.683 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1 2331138410 HTWXQRSZKUJJIJ-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)cc3F)c(Cl)c2)ccc1F 2331337335 RLRUWHAYUFTMQG-UHFFFAOYSA-N 444.836 6.110 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3Cl)cc2)c1 2331378588 DSFNABRTOMWJRU-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3cccs3)c(OC)c2)cc1F 2331450621 GXLQAEOASRRUJY-UHFFFAOYSA-N 446.883 5.673 30 10 IKEE CCCc1nnc(SCC(=O)N(CCC)CCC)n1N=Cc1ccc(C(C)(C)C)cc1 2331659450 DTWOCCYFVXHGQN-UHFFFAOYSA-N 443.661 5.151 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2Cl)cc1 2331706371 ILIYYUIHHDUDEB-UHFFFAOYSA-N 448.902 5.997 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3c(C)cc(C)cc3C)cc2Cl)c1 2331768875 UZPKUEQZULPEIB-UHFFFAOYSA-N 448.946 6.779 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc(Cl)c1OC(=O)C(C)C 2331780480 VOIOWQSKYMVMKE-UHFFFAOYSA-N 428.956 6.412 30 10 IKEE C=CCC1([C@H](NC)c2cc(Cl)cc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2337103381 JFUNPOJPVKRWCO-MRXNPFEDSA-N 447.776 5.315 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCC)c2cc(Cl)cc(Br)c2F)C1 2337105700 AFFKRWKXBOLBQB-INIZCTEOSA-N 447.776 5.506 30 10 IKEE CC#CCN(C[C@@H](NCCC)c1c(C)sc(C)c1Br)C(=O)OC(C)(C)C 2337921926 QFEJXHVHHUEUHF-MRXNPFEDSA-N 443.451 5.429 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(Nc2cc(Br)c(Cl)cc2C)n1 2362152889 IFAQPTCSCCNYKU-UHFFFAOYSA-N 437.574 5.157 30 10 IKEE C=CCCCC[C@@H](NCCC)[C@H](O)c1sc(Cl)cc1I 2366659942 JZDGEJPUUXZIRQ-OCCSQVGLSA-N 427.779 5.154 30 10 IKEE C=CCn1c(S[C@@H](C)C(=O)O[C@@H](C)CC)nc2scc(-c3ccc(C)cc3)c2c1=O 8950560 HTUMQLXJGJFRMC-HOTGVXAUSA-N 442.606 5.442 30 10 IKEE C=C(C)COc1cccc(NC(=O)c2ccc(OC[C@H]3CCCO3)c(Br)c2)c1 9925717 KHUYZMWJPSEEDT-LJQANCHMSA-N 446.341 5.214 30 10 IKEE C=C(C)C(=O)Nc1ccc(Oc2ccc(Oc3ccc(NC(=O)C(=C)C)cc3)cc2)cc1 20161362 OGDWUTPNUMHZDY-UHFFFAOYSA-N 428.488 6.300 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 20699547 NRKWHOABCWOHKA-PQNGQFLHSA-N 440.996 5.529 30 10 IKEE CCCCCSc1nc2n(n1)[C@@H](c1ccc([N+](=O)[O-])cc1)C1=C(CC(C)(C)CC1=O)N2 20850339 KRNFPVXBBMHWIP-IBGZPJMESA-N 441.557 5.127 30 10 IKEE Cc1cc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3s2)c(C)n1-c1ccccc1 33627551 QXLIVKPDAHNTSA-HKOYGPOVSA-N 434.564 7.127 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc(OCc3ccc(C(=O)OC)cc3)c2C)C1=O 41501933 XYGMAOGEXRXKLZ-IWIPYMOSSA-N 444.483 5.376 30 10 IKEE C=CCNC(=O)c1cc(-c2csc(-c3ccnc(CC)c3)n2)n(Cc2ccco2)c1C 43251634 RNJODANFQDWAHG-UHFFFAOYSA-N 432.549 5.102 30 10 IKEE CC(/C=N\N=C1\S/C(=C\c2ccc(F)cc2)C(=O)N1Cc1ccco1)=C\c1ccccc1 47138812 DFZATLBSPNDLAM-MLUFDKFPSA-N 445.519 5.981 30 10 IKEE COc1ccc2cc(/C(C)=N\Nc3c(Cl)c(Cl)nc(C(=O)O)c3Cl)ccc2c1 59611976 SLQUNOLVBWQQTE-OPVMPGTRSA-N 438.698 5.738 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)[C@@H](C)Oc1ccccc1[N+](=O)[O-] 100147556 HHNNINHDVNHAKS-JOCHJYFZSA-N 434.621 6.960 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2Cl)cc1 100153873 OUHIJJBLAPVLIT-UHFFFAOYSA-N 439.408 6.469 30 10 IKEE COc1cc(/C=C2/S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)ccc1O 100298086 YNYOPHJNYDOHFX-HUOZHCEOSA-N 430.529 5.074 30 10 IKEE CCCCCCCCCCCCCCCCCCCCCC(=O)N(C)c1ccccc1 100462017 MNJIMUWZJUNCKD-UHFFFAOYSA-N 429.733 9.471 30 10 IKEE O=C(/C=C\c1ccc(-c2ccc(Cl)cc2)o1)c1ccc2noc(-c3ccccc3)c2c1 103033637 PSANPMQSSJDTER-KAMYIIQDSA-N 425.871 7.304 30 10 IKEE O=C1/C(=C\Nc2ccc(F)cc2)S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccsc21 105336712 FGHICAHLYXNBAT-WOJGMQOQSA-N 448.928 5.027 30 10 IKEE COc1cccc(C(=O)/N=C(\OC(C)C)N(CCc2ccccc2)Cc2ccccc2)c1 138287528 KEZJSSBTKOLQKF-DQSJHHFOSA-N 430.548 5.361 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1C 165118564 YHYMDJLAQMXNAN-RVDMUPIBSA-N 429.516 5.616 30 10 IKEE CSc1nnc(COc2ccccc2)n1/N=C\c1c(Cl)ccc(Cl)c1Cl 169916595 NMQHKKAEEHXUNY-NKVSQWTQSA-N 427.744 5.421 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2cccc(OC)c2)cc1 169930181 BIJOAOSZULFULC-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(O)cc2)c1C 169960918 GJOQIFABMJSPSR-XMMPIXPASA-N 439.467 5.538 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]2c2ccncc2)c1 170021610 VBNUWGPKSQZGJA-JOCHJYFZSA-N 432.907 5.443 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccncc2)cc1Cl 170021695 FPLQSMPVBXOXLY-FQEVSTJZSA-N 439.298 5.480 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc2ccccc12 170046005 UOMZXLXHTOTKJP-JOCHJYFZSA-N 435.907 5.108 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2sccc2C)cc1 170106688 DVNRBJMCWJCEKS-LJQANCHMSA-N 439.920 5.501 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2cccs2)cc1 170156816 ZIQVEKNGOBTLGF-QFIPXVFZSA-N 433.529 5.410 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccccn2)c1 170175588 SMOVCQGAOUUVDO-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2cccnc2)c1 170187835 DYGNMTVZBGIXRA-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccncc1)c1ccc2c(c1)CCCC2 170199602 MIVBRKJKZZIWJK-QHCPKHFHSA-N 446.453 5.022 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@H]1c1cccc(OCC)c1 170217610 GRZXYUJGQTYIRN-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccccc1)c1cc2ccccc2o1 170223060 LBLZSIYXQNGFCO-QFIPXVFZSA-N 431.394 5.494 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)cc2OC)[C@H]1c1ccccc1 170232941 CBBDEIURXZJSGN-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(Cl)cc1)c1cccc2ccccc12 170235462 YBVKVTTVZPBYBA-HSZRJFAPSA-N 443.886 5.865 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@@H]1c1ccc(F)cc1 170243797 DLJSHJLJGIQCIP-QHCPKHFHSA-N 439.527 5.726 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1cccc(O)c1 170259717 KERQVONXDKEYID-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2sccc2C)cc1 170315164 IFPDGWKVZYLPPM-HSZRJFAPSA-N 443.568 6.027 30 10 IKEE CC(C)Oc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 170348795 SIHGFBMANBTVGI-DEOSSOPVSA-N 438.483 5.128 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cccc(OCC)c2)c1 170363213 YPIUDAQGHAFLNZ-JOCHJYFZSA-N 449.528 5.328 30 10 IKEE CCOc1cccc(/C=C2\Oc3cc(OC)ccc3C2=O)c1OC(=O)/C=C\c1ccccc1 210087969 OUQJZPBTMLTEJH-HRECDFGPSA-N 442.467 5.329 30 10 IKEE COc1ccc(-c2csc(N3N=C(C)C(=NNc4cccc5ccccc45)C3=O)n2)cc1 254300532 ACXPTINHFKJUDZ-UHFFFAOYSA-N 441.516 5.163 30 10 IKEE Cc1ccc(S(=O)(=O)O[C@@H]2C[C@]3(C)CCC[C@@H]3[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]23)cc1 254475837 VBLKGSKRRMCRKY-YPMWIYOHSA-N 444.637 5.681 30 10 IKEE C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CC=C(c5ccc(Cl)cc5)CC4)[C@@H]3C[C@@H]12 504765704 IUHODRMRSHJGHQ-AOYLRGCGSA-N 426.000 5.743 30 10 IKEE biogenic CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccs2)cc1OCC 526491540 VLGSKBGYCMRAMK-HSZRJFAPSA-N 446.528 5.474 30 10 IKEE CCOc1cccc(/C=N\n2c(C)nnc2SCc2ccc(C(C)(C)C)cc2)c1OC 526805338 ISVQFGLEMBATSF-MYYYXRDXSA-N 438.597 5.466 30 10 IKEE Cc1ccc(C)c(CSc2nncn2/N=C\c2cc(Cl)c(OC(C)C)c(Cl)c2)c1 526818710 WWHBPYHCWJFKPB-MRUKODCESA-N 449.407 6.163 30 10 IKEE CC(C)c1nc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)cs1 696462393 MBESSAXSAZECSQ-MRXNPFEDSA-N 436.375 6.035 30 10 IKEE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@H](C#N)c1cc(Br)c(Cl)s1 698350325 IZHBMFCTIZMQRH-CMPLNLGQSA-N 435.771 5.145 30 10 IKEE COc1ccc(Br)c([C@@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)c1 710768789 XPZBCYCBKBNHJR-QGZVFWFLSA-N 437.359 5.521 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1c(F)cccc1Cl 710834796 YHZVAFDTSXFDLS-INIZCTEOSA-N 439.712 6.248 30 10 IKEE CC[C@](C#N)(C1CN(C(=O)OC(C)(C)C)C1)N(C(=O)OC(C)(C)C)c1ccccc1F 716132953 CRYIILWQWQLPMR-QHCPKHFHSA-N 433.524 5.106 30 10 IKEE Fc1ccc(CSc2n[nH]c(NN=Cc3ccc(OCc4ccccc4)cc3)n2)cc1 1084438807 IEQXQGZTEDJUNR-UHFFFAOYSA-N 433.512 5.261 30 10 IKEE O=[N+]([O-])c1cc(C=Nc2ccccc2N=Cc2ccc(Cl)c([N+](=O)[O-])c2)ccc1Cl 1084593489 PRJFXMAVMQQASW-UHFFFAOYSA-N 443.246 6.311 30 10 IKEE CCc1ccc(C(=O)N2c3ccc(F)cc3C(=Nc3ccc(F)cc3)C[C@H]2C(C)C)cc1 1088739022 OWTRWUVBYFZFTE-SANMLTNESA-N 432.514 6.723 30 10 IKEE COc1ccc(/C=C2/S/C(=N/N=C/C=C/c3ccccc3)N(Cc3ccco3)C2=O)cc1 1615304645 WIDWOBGEDGILQO-RWLJVZCISA-N 443.528 5.460 30 10 IKEE Clc1ccc([C@@H]2[CH]S/C(=N/c3cc(Cl)ccc3Cl)N2c2ccccc2)cc1 1616119523 SCSVFSOFCFWWGP-MEQARESCSA-N 432.783 7.791 30 10 IKEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(Br)cnc2O)cc1Cl 1625562682 AKULWMBHEAIEMD-KRWDZBQOSA-N 442.700 5.111 30 10 IKEE C/C(=C1/SC(=Nc2nccs2)N(C2CCCCC2)C1=O)c1ccc([N+](=O)[O-])cc1 1772732449 AUUOKNJOVCSQKY-RPAYCJQNSA-N 428.539 5.378 30 10 IKEE Cc1nc(-c2ccc(F)cc2)ccc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1859765372 YXIFRAIEKKQQTG-UHFFFAOYSA-N 442.334 6.486 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc(NC(=O)c2cccc(C#N)c2)cc1 1860159501 CHDAGTJWOPBFLF-GOSISDBHSA-N 427.504 5.087 30 10 IKEE N#Cc1cccc(C(=O)n2c(=O)oc3cc(-c4csc(-c5ccccc5F)n4)ccc32)c1 1860473635 VDGCDWJGKAMGGK-UHFFFAOYSA-N 441.443 5.084 30 10 IKEE CCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)COc1cc(Cl)ccc1Cl 1861656875 ZMDNGVFAXWBCDH-OAQYLSRUSA-N 431.404 5.134 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CC)NC(=O)CCCOc1ccc2ccccc2c1 1861700209 RCUDWKLCMGKXRT-XMMPIXPASA-N 426.601 5.370 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccccc1Cl 1862380656 INOBSKKBFPPVLY-GOSISDBHSA-N 438.738 6.025 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@@H]1c1ccc(F)cc1 1862390596 HSRRJAMDGPBKAC-DEOSSOPVSA-N 437.555 6.327 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1cccc(Cl)c1 1862417758 ZJJUZRCSDRNVGM-DYHNYNMBSA-N 445.893 5.775 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1Br 1862452821 LLNNSWKMFOCUGO-SFHVURJKSA-N 448.744 5.481 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@H]2c2ccccc2F)cc1 1862528955 AKVPNOOXNKVZIS-VWLOTQADSA-N 443.518 5.518 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 1862538731 LBGRNKKGWHRFIF-ZUOKHONESA-N 432.347 5.933 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2cccc(Cl)c2)c1 1862560245 FXMLMHZEKBTCCM-QHCPKHFHSA-N 446.934 5.133 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2ccccc2C)c1 1862589143 FQHAZLJXWRQEHU-XMMPIXPASA-N 427.500 5.096 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2ccc(F)cc2)cc1 1862590503 KBBTUASOQHCVDP-VOIUYBSRSA-N 445.490 5.433 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862620315 POSAEDYVGQKIBQ-UUOWRZLLSA-N 447.619 6.658 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C2CC2)cc1 1862623434 NBJSYLFRSHRNBR-XMMPIXPASA-N 447.575 5.904 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C(C)C)cc3)[C@H]2c2cccc(C)c2)c1 1862661630 WUXFMJZFIXDICU-AREMUKBSSA-N 439.555 6.205 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(O)cc1 1862687435 LDCLWVFVWBOIES-AUSIDOKSSA-N 437.536 5.338 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(C(C)C)cc2)c1 1862701856 OWFXTGYVPGVRQJ-HSZRJFAPSA-N 447.556 5.659 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1c(F)cccc1Cl 1862705222 SNKBDBBZVHKZJP-NRFANRHFSA-N 445.918 5.646 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccc(C(C)C)c(C)c3)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1863030679 KMPLZPYKBBUUBB-UHFFFAOYSA-N 449.554 6.004 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(NC(C)=O)cc2)C(=O)N([C@H](C)CC)C1=O 1863547182 LQHLRKKOBWHUKV-LJQANCHMSA-N 441.616 5.254 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2Cl)C(=O)N(C[C@@H]2CCCO2)C1=O 1863771371 CTPDYSAEYSKBFN-IBGZPJMESA-N 447.019 5.329 30 10 IKEE C[C@@H](CC(=O)N[C@H](C(=O)Nc1ccc(C#N)cc1)c1ccccc1)c1cccc(Cl)c1 1867188623 XDMCXMWZACEAOH-XDHUDOTRSA-N 431.923 5.201 30 10 IKEE C#CCOc1cn(Cc2ccccc2Cl)c(CSc2ccc(Cl)cc2)cc1=O 1870298908 OWHFBAARDDIMTI-UHFFFAOYSA-N 430.356 5.508 30 10 IKEE CCCCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CN1CCCCCC1 1870612299 WJEQRANDWICGNW-UHFFFAOYSA-N 430.677 6.710 30 10 IKEE CCCCCCCCn1cc(OCCC)c(=O)cc1CNc1cc(NC(C)=O)ccc1C 1871105168 KGUASGHLJIOFTQ-UHFFFAOYSA-N 441.616 5.877 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1c(Cl)cccc1Cl)C3=O)CN(CCOC(C)C)CO2 1871351661 MPAGYWKNDQQHDR-JMIUGGIZSA-N 448.346 5.495 30 10 IKEE Cc1cc(C)cc(OCCN2COc3c(cc4c(c3C)O/C(=C\c3cccs3)C4=O)C2)c1 1871355849 ZPVBZHGSYDPXDL-QRVIBDJDSA-N 447.556 5.520 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4cccc(Br)c4)ccc3C2=O)cc1 1871365771 MMPCWDFLJCZBJR-NHDPSOOVSA-N 435.273 5.593 30 10 IKEE O=C(/C=C/c1ccco1)Oc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O 1871369473 MZWKRSPCTKYMMD-QUPHNUHQSA-N 427.239 5.821 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3C)C2=O)cc1 1871374888 IHCZPNJFROKFNO-UUYOSTAYSA-N 445.427 5.056 30 10 IKEE Cc1c(OC(=O)c2cccc3ccccc23)ccc2c1O/C(=C\c1ccccc1Cl)C2=O 1871377880 JBHROUBEPQCZHT-IWIPYMOSSA-N 440.882 6.637 30 10 IKEE O=C(COc1ccc(Cl)cc1)Oc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O 1871380725 DPISFZYUJRJKEY-NHDPSOOVSA-N 441.266 5.594 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2sccc2C)C3=O)c1 1871390308 PPBWKGOSKZNZCT-MOSHPQCFSA-N 448.496 5.516 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(CN4C[C@@H](C)C[C@H](C)C4)c(O)cc(C)c3C2=O)cc1 1871396602 OOPRDDMVEAWXSX-KLLVMDPRSA-N 448.607 5.641 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(CN4CCC[C@H](C)C4)c(O)cc(C)c3C2=O)cc1 1871396851 YXHAAOVANGZKCR-XHFXOGKZSA-N 434.580 5.395 30 10 IKEE Cc1cccc(OCCCCOc2ccc3c(c2C)O/C(=C\c2ccc(F)cc2)C3=O)c1 1871403597 OUORWYFMQKNADU-UQQQWYQISA-N 432.491 6.297 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc(O[C@@H](C)C(=O)Nc3cccc(C)c3C)c2C)C1=O 1871414701 XBYGUBPPOXODDN-FPJJECCMSA-N 447.556 6.004 30 10 IKEE CCOC(COc1cc(C)c2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O)OCC 1871416358 YGUOCQHIPNTSKK-XYGWBWBKSA-N 444.527 6.056 30 10 IKEE COC(=O)c1ccc(/C=C2\Oc3cc(OCCc4ccc(C)cc4)cc(C)c3C2=O)cc1 1871437556 IIRALDCVPMXLQZ-IWIPYMOSSA-N 428.484 5.328 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OCCN4CCCCC4)cc(C)c3C2=O)cc1 1871451073 BJRFIISAWOOUFS-BWAHOGKJSA-N 434.580 5.322 30 10 IKEE CCc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871454358 LLIYXQMNTFINKY-QRVIBDJDSA-N 447.918 5.845 30 10 IKEE CCCCCCCCN=c1nc(N(CC)CCCC)[nH]c(=Nc2ccc(C)c(F)c2)[nH]1 1871580641 NJTJTPIRCPTFRQ-UHFFFAOYSA-N 430.616 5.305 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1cc(C)ccc1C 1871876853 MYTSDGRHBYBEIS-OAQYLSRUSA-N 449.016 5.331 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[C@@H](C)CC)S(=O)(=O)c1cccs1 1872027091 ZGYKMWGWPDFQSF-LAUBAEHRSA-N 448.654 5.276 30 10 IKEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(Nc2ccccc2)cc1)S(=O)(=O)CCCC 1872146757 WARXYEAQAHEYPG-QHCPKHFHSA-N 443.613 5.155 30 10 IKEE N#C[C@H](C(=O)c1cccc(Oc2ccccc2)c1)c1nc(-c2ccc3ccccc3c2)cs1 1872760815 YGEWXDSOFSLMAZ-RUZDIDTESA-N 446.531 7.246 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(C(C)C)cc3)n2)cc1OC 1872761949 ZTHOHXYZCSPDRR-WUTDNEBXSA-N 432.545 5.840 30 10 IKEE COc1cccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccc(C(C)(C)C)cc3)n2)c1 1872762780 WLRXPRCHARWKCZ-JOCHJYFZSA-N 448.588 6.152 30 10 IKEE COc1c(Cl)cc(-c2csc([C@H](C#N)C(=O)c3ccc(C)c(C)c3)n2)cc1Cl 1872785041 CZPUYXICKMIURB-OAHLLOKOSA-N 431.344 6.232 30 10 IKEE C=CCOc1ccccc1OCC(=O)Nc1cccc(-c2nc(-c3ccc(C)s3)no2)c1 1873445474 OJMUOHORFWQNKT-UHFFFAOYSA-N 447.516 5.356 30 10 IKEE Cc1ccc(COc2cccc(/C=N/Nc3cnn(-c4ccccc4)c(=O)c3Cl)c2)cc1 1873525735 UIAJYPBUSSLINU-JFLMPSFJSA-N 444.922 5.219 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)cc2C)cc2c(N(C)Cc3ccccc3)ncnc21 1873660192 DXYLWPPATRDSQO-UHFFFAOYSA-N 445.954 5.468 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C(C)(C)C)c2)cc2c(N(CCC)CCC)ncnc21 1873666402 XVGORAWMDCVRAH-UHFFFAOYSA-N 433.600 5.794 30 10 IKEE CCCOc1cccc(/C=N/n2c(CCCOc3cccc(C)c3)nnc2SCC)c1 1874246334 ZALCNVRVZWURTN-XIEYBQDHSA-N 438.597 5.381 30 10 IKEE CCCOc1ccc(/C=N/n2c(CCCOc3ccc(C)cc3)nnc2SCC)cc1 1874252686 USBGDOVVQWZQOU-XIEYBQDHSA-N 438.597 5.381 30 10 IKEE Cc1cccc(/C=N/n2c(Cc3ccc(C)c(C)c3)nnc2SCc2ccccc2C)c1 1874357496 KYVPGBJWBJTVAP-OGLMXYFKSA-N 440.616 6.277 30 10 IKEE Cc1ccc(/C=N/n2c(CCc3cccs3)nnc2SCc2cc(C)ccc2C)cc1 1874371694 LZPXQROSJOPMTF-WGOQTCKBSA-N 446.645 6.225 30 10 IKEE C=C(C)CSc1nnc(Cc2ccccc2F)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874375973 XSEJMJPRUOFSKW-FOKLQQMPSA-N 445.907 5.120 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2/N=C/c2cccs2)cc1 1874390393 KJMCVYSLTGFZGC-ZVHZXABRSA-N 439.009 6.067 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1cccnc1 1874399180 IWNVZUIXJUGFKV-AEIQVQRHSA-N 433.968 5.653 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccccc1 1874399742 VFDJDBKWUVWTMH-JCJHSNGYSA-N 448.595 6.758 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3ccc(C(=O)OC)o3)nnc2C2CCCC2)cc1 1874454345 DPHQXKOLTFDGAT-ZVHZXABRSA-N 438.553 5.052 30 10 IKEE COCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1cccc(F)c1 1874474486 GDTOUMFYAUIDGW-FOKLQQMPSA-N 439.343 5.087 30 10 IKEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1cccc2ccccc12 1874477146 LHIDDECCUVZIAZ-PCLIKHOPSA-N 445.548 5.857 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1c(F)cccc1Cl 1874482435 DIYBIGJWJVYXPV-FOKLQQMPSA-N 447.923 5.451 30 10 IKEE CC(C)(C)c1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874486977 TVKYQVBZCFZKKA-FOKLQQMPSA-N 447.923 5.451 30 10 IKEE CCCOc1c(/C=N/n2c(C)nnc2SCc2cccc3ccccc23)cccc1OC 1874533337 DMRCTAXUIBVSQU-WGOQTCKBSA-N 446.576 5.712 30 10 IKEE O=[N+]([O-])c1cc(/C=N/n2cnnc2SCc2ccc(Cl)c(Cl)c2)ccc1Cl 1874539850 APQOILJCHSFQCI-QPSGOUHRSA-N 442.715 5.321 30 10 IKEE Sc1nnc(-c2ccco2)n1/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 1874559831 RDYYKFMXRIUUJH-FOKLQQMPSA-N 445.331 5.595 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2cccc(C)c2)cc1 1874573237 CVFCOILXRYGDBI-ISLYRVAYSA-N 427.544 6.251 30 10 IKEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(F)c(F)c1)NCc1ccccc1 1874585146 OHZCHTUDPOPEPD-JXMROGBWSA-N 441.861 5.210 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)c1C 1874586752 CSIOVATVGVBSJS-CSKARUKUSA-N 439.382 7.702 30 10 IKEE CCCOc1c(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)cc(Cl)cc1OC 1874590629 PBPNJWUWNLCUFH-AATRIKPKSA-N 429.727 6.349 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC)c2OCc2cccc(Cl)c2)cc1C 1874591610 TVNJYHNYMMBPTP-VAWYXSNFSA-N 436.935 6.449 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OC)c1OCc1cc(C)ccc1C 1874592340 KJCALNYDQALNPV-ZRDIBKRKSA-N 436.935 6.449 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2cccc(OC)c2)cc1Cl 1874605627 XFAVPOSQSPYTHC-PKNBQFBNSA-N 429.944 5.272 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cc(C)ccc3C)c(OC)c2)c1 1874605880 KGLOACRTABSEOS-ZRDIBKRKSA-N 445.515 5.234 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2OC)cc(OC)c1OCc1cccc(Cl)c1 1874611569 OUDWOVVUTHOJJG-BUHFOSPRSA-N 448.946 6.561 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1Cl)Nc1ccccc1F 1874612424 UMPIREIUQHPRJU-CSKARUKUSA-N 444.289 6.046 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OCc1cccc2ccccc12 1874613196 HVXWQHFDRUQBOZ-FYWRMAATSA-N 442.942 7.367 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)c([N+](=O)[O-])c2)cc1 1874615996 GQBNLVUBUZCOLF-ATEOEAFZSA-N 444.487 5.056 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Cl)c1OCc1ccccc1F 1874618502 DZFUKOJGNANHJH-JXMROGBWSA-N 428.862 6.410 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 1874619516 DTSWTAIBYDZUEE-UXBLZVDNSA-N 437.879 6.040 30 10 IKEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc1Cl 1874624763 UQGBUZSUENVXCE-JXMROGBWSA-N 443.971 5.447 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1OC(=O)c1ccc(C)c(C)c1 1874693746 UGJREEULFRAERU-NTEUORMPSA-N 440.539 6.306 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCc3ccc(CC)cc3)c2)cc1 1874701440 SNBFBYHOSYKEFN-LDADJPATSA-N 428.528 6.082 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCCOc3c(C)cccc3C)c2)cc1 1874702047 QKMJSCZJQSYXOA-SAPNQHFASA-N 428.528 6.273 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1Cl 1874717013 VADAWISCAIOODD-VZUCSPMQSA-N 437.835 5.372 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](C(C)(C)C)CSc2nnc([C@H](C)c3ccccc3)n21 1874980967 AMIWDTDQKYDNTA-TZIWHRDSSA-N 442.673 6.166 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)c(Cl)c2)cc1 1875100221 UFHZUPMZFJOFSA-KPKJPENVSA-N 449.890 6.234 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OC(=O)Cc1ccccc1F 1875111435 BJXSWSUZMLWLDV-ACCUITESSA-N 438.882 5.922 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)CCCSC 1875111618 MRFXASWDCRYGTH-MDZDMXLPSA-N 439.360 5.947 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OC(=O)[C@H](C)c1ccccc1 1875115344 ZESKXANHOZTQJS-OUQXZNHLSA-N 430.500 5.699 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3F)cc2)cc1 1875120528 XIGARWQXRNXNPN-LHHJGKSTSA-N 438.426 5.244 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC(=O)C1CCC1 1875132427 DVCHZRHNAOOQTF-DHZHZOJOSA-N 445.342 6.332 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 1875134510 VRSYDAPYSPFCKO-DHZHZOJOSA-N 431.444 5.336 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)CCc2ccccc2)c(Cl)c1 1875143077 IAFONRUOYGHMIH-FMIVXFBMSA-N 434.919 6.091 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3cc(OC)ccc3OC)cc2)cc1 1875144109 FPNLDYIJEWOYMH-OQLLNIDSSA-N 446.499 5.147 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OC(=O)c1ccco1 1875168523 HKVWGXYSQVASBF-MDZDMXLPSA-N 434.488 5.646 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(Oc4ccccc4)c3)cc2)cc1C 1875175823 IODVRWUMPKOQBQ-NBVRZTHBSA-N 448.518 7.211 30 10 IKEE N#C[C@]1([C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCC12CCC2 1875635938 YLXGVGMGFDTIPT-YTMVLYRLSA-N 439.555 6.352 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@H](C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)cc1 1912146906 FGZRQVDAOFNFBG-KRWDZBQOSA-N 430.509 5.536 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@H](NC(=O)OC(C)(C)C)C1CCCCC1)NCC 1922119352 NIBOJDMIRCXBQR-ZEQRLZLVSA-N 430.633 5.601 30 10 IKEE CCCCCCC[C@@H](NCC)c1c(Br)sc(Br)c1Cl 1923038400 IZEXBJRVMHLWCS-SNVBAGLBSA-N 431.665 6.938 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1949112964 SPWSGWDHZHVNFJ-PNCHPQGNSA-N 447.963 5.373 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C1 1981722490 GMXSKKBIPPMDEJ-QFIPXVFZSA-N 435.590 5.169 30 10 IKEE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1(C#N)CCCCCCC1 1984693217 YXCSMIZEECGDTQ-LJQANCHMSA-N 445.563 5.036 30 10 IKEE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(C#N)(CC)CC 1985181492 WSNZKRFJZVBWEW-UUOWRZLLSA-N 447.579 5.138 30 10 IKEE CCC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(OC)cc1 2033624886 WWLSBBFUDWXSJU-YLJYHZDGSA-N 447.576 5.270 30 10 IKEE C[C@@]1(Nc2cc(Br)c(C#N)cc2F)CCCN(C(=O)OCc2ccccc2)C1 2043970097 FXBYEJMMJKLWJU-OAQYLSRUSA-N 446.320 5.063 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NC)c2c(C)sc(C)c2Br)C1 2063051959 MMGBGHHSYOXLCF-MRXNPFEDSA-N 429.424 5.249 30 10 IKEE Cc1cc(C)c([C@@H](C(C)C)n2nc(C(C)(C)C)c(C#N)c2I)c(C)c1 2080051987 HGVPRUCKDXMVMI-GOSISDBHSA-N 449.380 5.828 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(C)sc(C)c1Br 2102879747 JEHOHAHXAMJCNV-CRAIPNDOSA-N 443.451 5.475 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)C1(C#N)CC2(C[C@@H]2C(F)(F)F)C1 2205165535 VFRNPRODFWCGEJ-NNGSBXSVSA-N 445.279 5.815 30 10 IKEE N[C@@H](C#Cc1ccccc1Br)c1cc(Br)sc1Br 2220278748 GOYHYYCQOXPOAB-NSHDSACASA-N 449.993 5.087 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@@H](O)C#Cc2cccc(Cl)c2)cc1Br 2231008747 LYXAHVSTONPXBN-SFHVURJKSA-N 436.733 5.535 30 10 IKEE C=C1CCC(C[C@@H](O)[C@H](Cc2ccc(Br)cc2)NC(=O)OC(C)(C)C)CC1 2237386755 MIEFVLOVFXDQMS-VQTJNVASSA-N 438.406 5.382 30 10 IKEE Cc1ccc(Nc2cc(Br)cc(F)c2C#N)cc1CNC(=O)OC(C)(C)C 2239824043 KQXRDCCSJSXXHI-UHFFFAOYSA-N 434.309 5.537 30 10 IKEE C=C(C)CCCC[C@@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 2250180794 FFZZZOHJSMDGTB-ZEQRLZLVSA-N 432.649 5.991 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1cc(F)ccc1Cl 2268128822 KFMSDYBYLXCVMF-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE C=CC[C@]1(COc2ncc(Cl)cc2Br)CCCN(C(=O)OC(C)(C)C)C1 2272227077 AXJXMHAQPMSQJK-IBGZPJMESA-N 445.785 5.470 30 10 IKEE C#CCCCC[C@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2277251175 CWIWMCANTHRUPZ-MHZLTWQESA-N 443.587 6.055 30 10 IKEE CC(C)(C)c1ccc(-c2nn(-c3cccc(C(F)(F)F)c3)cc2C=NNC(N)=S)cc1 2296403517 SNYJDNNHTLRECY-UHFFFAOYSA-N 445.514 5.023 30 10 IKEE CCCN(CCC)Cc1c(O)ccc2c1OC(=Cc1ccccc1Br)C2=O 2296604990 SKZZOBVMDFGFNN-UHFFFAOYSA-N 430.342 5.393 30 10 IKEE COc1ccc(C=CC(=O)c2c(O)nc3ccc(Cl)cc3c2-c2ccccc2)cc1OC 2296752737 WLDYFJUQIJMPEP-UHFFFAOYSA-N 445.902 6.174 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3c(ccc(OCc4ccccc4)c3C)C1=O)cn2C 2296871214 DLHKJDIVTWAODG-UHFFFAOYSA-N 425.484 5.691 30 10 IKEE CCn1cc(C=C2Oc3cc(OCc4ccc(C)cc4)ccc3C2=O)c2cc(OC)ccc21 2296871886 LQDBMUVTXLKXQX-UHFFFAOYSA-N 439.511 6.173 30 10 IKEE CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)C(=Cc4cn(C)nc4C)C[C@H]32)C1 2297556277 DXRJBJUDWMWZPC-RIJSWXIHSA-N 436.596 5.185 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(OCCOc3ccccc3Cl)cc2)SC1=S 2297624632 RMMBGQMTRSTSMX-UHFFFAOYSA-N 431.966 5.185 30 10 IKEE CC[C@@]1(C)N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 2300007837 QUZJUIQSIDGEOX-PKTZIBPZSA-N 449.617 5.557 30 10 IKEE O=C1C(=Cc2c(Cl)cccc2Cl)SC(=Nc2ccccn2)N1c1ccccc1 2314542714 YKHJNXWBXUUUBF-UHFFFAOYSA-N 426.328 6.197 30 10 IKEE N#Cc1nc([C@@H]2C[C@@H]2c2ccccc2)oc1NN=Cc1ccccc1OCc1ccccc1 2320837424 VHQSYICHHYRWDB-DHIUTWEWSA-N 434.499 5.842 30 10 IKEE Cc1c(OCc2ccc(Cl)c(Cl)c2)ccc2c1OC(=Cc1ccc(Cl)cc1)C2=O 2321789722 XVLUSXMDQBEJEU-UHFFFAOYSA-N 445.729 7.150 30 10 IKEE CCn1cc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(C2CCCCC2)C4)c2ccccc21 2322016404 YHRFRRYAWUEEFB-UHFFFAOYSA-N 442.559 6.070 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc4c3CN(CCOc3ccccc3)CO4)C2=O)cc1 2322038244 SKGYCYCHROFEEZ-UHFFFAOYSA-N 427.500 5.096 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc3c2CN([C@H](C)c2ccccc2)CO3)C1=O 2322092154 FEEWTSBBWXWPBH-GOSISDBHSA-N 427.500 5.615 30 10 IKEE Cc1ccc(OCc2nnc(S)n2N=Cc2ccc(OC(C)C)cc2)c(C(C)(C)C)c1 2322260419 SERSKKAQGKTUDG-UHFFFAOYSA-N 438.597 5.421 30 10 IKEE Cc1ccc(C)c(COc2ccc(Cl)cc2C=CC(=O)c2ccc(Cl)cc2Cl)c1 2322391071 VDOSOJGZQWETGG-UHFFFAOYSA-N 445.773 7.739 30 10 IKEE CCOc1ccccc1C=C1Oc2c(cc3c(c2C)OCN(Cc2cccc(C)c2)C3)C1=O 2322432503 RTGGGSKIHPKDAU-UHFFFAOYSA-N 441.527 5.670 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2cccc(Cl)c2)c1OCc1cccc(Cl)c1 2322524959 NGRWRMQLUYMLTG-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2OC)cc1OCc1ccc([N+](=O)[O-])cc1 2323176520 HUVDAFRAVMVDMB-UHFFFAOYSA-N 433.460 5.396 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OC(=O)CCCOc3ccccc3)cc(C)c2C1=O 2323186955 NAFBHRIHVGWNOA-UHFFFAOYSA-N 434.513 5.746 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(OC(=O)c3ccc(Cl)c(Cl)c3)c2C)C1=O 2323260114 WSZSBWRSNAGEFW-UHFFFAOYSA-N 445.323 6.507 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1)NCc1ccccc1 2323341737 IALNGFWPJBURGG-UHFFFAOYSA-N 447.534 5.945 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1 2323345205 WNZUNVSHVSLFPH-UHFFFAOYSA-N 447.534 6.576 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(OC(=O)CC4CCCCC4)c3C)C2=O)c2ccccc21 2323485516 RNMAGWIRKMAQKG-UHFFFAOYSA-N 443.543 6.462 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O)c1cc(Cl)ccc1Cl 2323581076 SCCKSGDWBYEACN-UHFFFAOYSA-N 429.230 5.968 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc(F)c2)c(Cl)c1)c1ccc(Br)cc1 2323582745 PLOYBVOJNZTAQV-UHFFFAOYSA-N 445.715 6.717 30 10 IKEE CCCCC1CCC(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C)cc2)C3=O)CC1 2323652274 BGOAEUZPYJBNDU-UHFFFAOYSA-N 432.560 6.822 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2C)C3=O)cc1 2323866010 HISKRWQYTQYVGE-UHFFFAOYSA-N 426.468 5.704 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OCc1ccc(C(=O)OC)o1 2323919616 RQLQYYQQWPNJCK-UHFFFAOYSA-N 446.499 5.587 30 10 IKEE C=C(C)COc1c(OCC)cc(C=CC(=O)c2ccc(OCCC)cc2)cc1[N+](=O)[O-] 2323933743 RQARJILSPXSOFA-UHFFFAOYSA-N 425.481 5.633 30 10 IKEE O=C1C(=Cc2cccc(F)c2)Oc2c1ccc(O)c2CN1CCC(Cc2ccccc2)CC1 2324029711 CZVZJDPHKXGSTH-UHFFFAOYSA-N 443.518 5.602 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OCc1ccc([N+](=O)[O-])cc1 2324097663 PWGSZGHMZIAHGF-UHFFFAOYSA-N 447.443 5.197 30 10 IKEE CCCOc1c(Cl)cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc1OCC 2324221056 QQJWVCLGDZKGGQ-UHFFFAOYSA-N 430.972 6.730 30 10 IKEE Cc1c(Cl)cccc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1ccccc1)C2=O 2324434061 JJTZUJCBLRQPTI-QGZVFWFLSA-N 447.918 5.979 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc(OC)c1OCCCO 2324538689 JOHGEBIAQJTJFK-UHFFFAOYSA-N 430.928 5.051 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@@H](C#N)C(=O)C=Cc2cccc(Cl)c2)n1 2324773989 LDIUSUIFAAYBEN-KRWDZBQOSA-N 443.355 6.324 30 10 IKEE CCOCCOC(=O)[C@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccc(C(C)C)cc1)C2=O 2325075978 VSQPRNGZLXBKQK-SFHVURJKSA-N 438.520 5.082 30 10 IKEE CCCCCCCCOCc1ccc(I)c(Br)c1 2325278175 RKYLLOAQKNRTLG-UHFFFAOYSA-N 425.148 5.931 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)c2)cc1C 2325715130 GCNUFABAGJIPKC-PKTZIBPZSA-N 446.930 6.262 30 10 IKEE O=C(COc1ccc(Cl)cc1)Oc1cccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)c1 2325722210 ARKZBBVNPBKJEO-UHFFFAOYSA-N 437.835 5.129 30 10 IKEE O=C(C=Cc1cccc(OC(=O)C2(c3ccc4c(c3)OCO4)CC2)c1)c1ccc(Cl)cc1 2325730935 WBKBHUOCYNPGED-UHFFFAOYSA-N 446.886 5.602 30 10 IKEE COc1ccc(C(=O)Oc2cc(C=CC(=O)c3ccc(C)cc3C)ccc2OC)cc1OC 2325735221 NNBGLQPUOAVINO-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE COc1ccccc1CCC(=O)Oc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC 2325737812 JVCZYDPOTYMBLF-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc1OC(=O)c1ccccn1 2325763176 JTNCWGABGKPXIL-UHFFFAOYSA-N 437.879 5.176 30 10 IKEE CCc1nnc(SCc2ccc(F)cc2)n1N=Cc1cc(Cl)c(O)c(Cl)c1 2326238696 SGSCAKGEYKEJNE-UHFFFAOYSA-N 425.316 5.167 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(OC)c(OCC)c1 2326735871 OEXXEKWGDUAKBH-UHFFFAOYSA-N 442.560 5.342 30 10 IKEE C=CCOc1ccccc1C=Nn1c(COc2c(C)ccc(C)c2C)nnc1SCC=C 2327288833 DVXYAMTYPMQDOB-UHFFFAOYSA-N 448.592 5.507 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccccn1 2328551008 CHJBIJBMKKKIMN-UHFFFAOYSA-N 447.539 5.183 30 10 IKEE CCCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1cccc(Br)c1 2329121676 PUKMRHJKXQLUHZ-UHFFFAOYSA-N 449.805 5.669 30 10 IKEE Cc1ccccc1C=Nn1c(CCc2ccccc2C)nnc1SCc1ccccc1F 2329488217 OJQFMCWUJYPCFR-UHFFFAOYSA-N 444.579 5.994 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](NC(=O)C=C(c1ccc(C)c(C)c1)C1CC1)c1ccccc1 2329551843 YDTUBLQVEXBYBE-HHHXNRCGSA-N 428.576 5.155 30 10 IKEE Fc1ccccc1C=Nn1c(SCc2ccccc2F)nnc1-c1ccccc1Cl 2329576903 IQDULVQQMRIGBQ-UHFFFAOYSA-N 440.906 6.051 30 10 IKEE CCCC[C@@H](NC(=O)C=C(c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1cccc(C#N)c1 2329597717 NVSRSHXVOCHOJL-RUZDIDTESA-N 429.564 5.282 30 10 IKEE Oc1cccc(C=Nn2c(CCc3cccs3)nnc2SCCc2ccccc2)c1 2329668908 WIVXGDTZKHFIKB-UHFFFAOYSA-N 434.590 5.047 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2F)n1N=Cc1ccc(O)cc1 2330108956 OQHYCGSHZASSQO-KRWDZBQOSA-N 432.524 5.449 30 10 IKEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)Cc1ccc(C)c(C)c1 2330645631 BMNPMTAOVIQOOE-UHFFFAOYSA-N 445.471 5.264 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccccc3)n2N=Cc2cccc([N+](=O)[O-])c2)c1 2330645902 PJOVPEWYKYKNQD-UHFFFAOYSA-N 429.505 5.336 30 10 IKEE Oc1ccc(Cl)cc1C=Nn1c(SCCc2ccccc2)nnc1-c1ccccc1 2330675134 SFVBKKIRDIOCOD-UHFFFAOYSA-N 434.952 5.521 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccs3)c(Br)c2)cc1 2330747923 MYTBJTQPYRZVNH-UHFFFAOYSA-N 441.346 6.188 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cc(C)ccc3C)c([N+](=O)[O-])c2)cc1 2330749797 INNFUJGPPNOUSR-UHFFFAOYSA-N 443.499 5.818 30 10 IKEE Cn1cc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccccc2F)c2ccccc21 2330845019 QZNOGPVPYQZJAO-UHFFFAOYSA-N 435.572 5.672 30 10 IKEE C=CCSc1nnc(CC(C)(C)C)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2330855497 LGSULTREDRKRNN-UHFFFAOYSA-N 434.565 5.246 30 10 IKEE CC(C)(C)Cc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(O)c(O)c1 2330881414 QILOQHPJPPZYJJ-UHFFFAOYSA-N 448.951 5.245 30 10 IKEE CC(C)(C)Cc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccccc1F 2330884140 BAWCWGCOFLQFTC-UHFFFAOYSA-N 434.943 5.973 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2[N+](=O)[O-])cc1C 2331030718 HQUVTXXUKRVAMO-UHFFFAOYSA-N 446.415 5.235 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccccc3OC)cc2OCC)c1 2331078014 LXKYKRQSGMEUCV-UHFFFAOYSA-N 446.499 5.608 30 10 IKEE Fc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C(F)(F)F)c(F)c1 2331154779 AWMMPNKYUBMBSD-UHFFFAOYSA-N 432.805 5.403 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])cc1 2331276369 NFLHDLNDSDWHEA-UHFFFAOYSA-N 443.499 5.900 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2cccc(Cl)c2)c1 2331684763 QWJUGKIFXMIBNL-UHFFFAOYSA-N 441.988 5.285 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccccc3F)nnc2C(C)C)cc1OCC 2331699466 USJBZYJCWUCOEN-UHFFFAOYSA-N 442.560 5.513 30 10 IKEE CCCN(CCC)C(=O)CSc1nnc(C(C)C)n1N=Cc1ccc(C(C)C)cc1 2331706790 CIGPADSBXFQWNA-UHFFFAOYSA-N 429.634 5.148 30 10 IKEE CCCCCCCCCCOc1cc(Br)cc(I)c1 2338708090 LPNRGSUUWGMUGN-UHFFFAOYSA-N 439.175 6.573 30 10 IKEE CC[C@@](C)(CCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339579715 ZYGISTOANRJBNH-RQOTYCFOSA-N 446.397 5.189 30 10 IKEE C=CCC(CC=C)S[C@@](C)(C(=O)O)c1cc(Br)c(Br)s1 2380097579 OAGHKPFMECGXJN-CQSZACIVSA-N 440.222 5.827 30 10 IKEE C=CCn1c(SCCOc2cccc(C)c2)nc2scc(-c3ccccc3)c2c1=O 9041675 NQAKPTAJCAALSQ-UHFFFAOYSA-N 434.586 5.791 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(C(C)(C)C)cc2)C3)cc1 20881581 VRVFVDFZLXUVLB-NZQKXSOJSA-N 431.576 5.777 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OCC(C)C)cc2)C3)cc1 20885948 HTTOMADLMMCEBC-REWPJTCUSA-N 433.548 5.124 30 10 IKEE O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccc(O)c([N+](=O)[O-])c1)Nc1ccccc1N2 21219212 DPLRJNQUZZXSFB-CRICUBBOSA-N 427.460 5.280 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(C(F)(F)F)cc2)cc1 21248723 IWHPILPRKFYGAX-PXNSSMCTSA-N 443.465 5.499 30 10 IKEE CCOc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccc(CC)cc1)C2 21256586 BBGGGIFCHZHUNU-LGGPFLRQSA-N 438.571 6.627 30 10 IKEE Cc1ccc(C)c(CN2C(=O)[C@@](O)(CC(=O)/C=C/C=C\c3ccccc3)c3ccccc32)c1 33601109 PSFVPAFHAATMEL-SNEDCYONSA-N 437.539 5.267 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccccc4C)c3C)C2=O)c(OC)c1 41284681 JKHXQTXAXSZXIF-QRVIBDJDSA-N 430.456 5.156 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/C=C/c1ccccc1)O3)CN(CCCc1ccccc1)CO2 41649308 NVFLDONOQIONRF-UQZINSJMSA-N 437.539 5.952 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccccc2SC)nnc1-c1cccc(Cl)c1 59794757 SWHWZGNJXAQTIV-UHFFFAOYSA-N 430.986 5.237 30 10 IKEE C=C(C)COc1cccc(NCC(=O)Nc2ccc(NC(=O)CCc3ccccc3)cc2)c1 66063135 YUXWTHUQUKWXFH-UHFFFAOYSA-N 443.547 5.263 30 10 IKEE COc1ccccc1N/C(=N/c1nnc(C)s1)N1N=C(C)S[C@@H]1c1ccc(C)cc1 96576687 TUYCFXVQUHBXOR-LJQANCHMSA-N 438.582 5.344 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2C)cc1 100153954 SJYWRYPOVDJZIS-UHFFFAOYSA-N 429.542 5.379 30 10 IKEE N#CCCN(CCc1ccccc1)C(=S)NC(=O)c1sc2ccccc2c1Cl 100438259 GPSUJQADGFCPAR-UHFFFAOYSA-N 427.982 5.028 30 10 IKEE CCCCCCCCc1c(C)nn(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1C 100458884 SWDJFYOHLFAWHC-UHFFFAOYSA-N 431.580 6.344 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)S/C1=N/c1cccnc1Cl 101126236 UPGXQHVCCUDEGT-ZXMQTSGQSA-N 440.868 5.137 30 10 IKEE C=CCSc1ccccc1NC(=O)c1cc(Br)c(Br)s1 105784167 LJJSHSUALRNYNJ-UHFFFAOYSA-N 433.190 5.804 30 10 IKEE Cc1nnc(SCc2ccc(Br)cc2)n1/N=C\c1c(F)cccc1Cl 135885915 VPNSGRYDWNSPRK-NKVSQWTQSA-N 439.741 5.316 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C)cc2C)c1 169935567 KTIOJOHOKREQQO-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2OC)cc1C 169944895 HZNZMFPVBPOTRU-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccc(F)cc2)c1 169972420 DVXWNPWZKNTMFQ-DEOSSOPVSA-N 429.491 5.529 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccs2)cc1 169985061 UYMHQGUPNMFQKQ-HXUWFJFHSA-N 439.920 5.583 30 10 IKEE CCCCCCCCN1C(=O)C(SCc2ccccc2)=C(c2ccc(F)cc2)C1=O 169986221 LHSAOJXSSSYODJ-UHFFFAOYSA-N 425.569 6.200 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2cccnc2)cc1C 170005697 QFPTZKHLIJZPJS-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccccc2)c1 170036340 DVIQRAOWUZLVSC-QFIPXVFZSA-N 433.891 5.522 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccncc2)cc1 170068099 HTKCIDPTXUGUJU-QHCPKHFHSA-N 446.934 5.637 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1cccc(O)c1)c1c[nH]c2ccccc12 170081320 JDWZWYRIXIRHCX-QFIPXVFZSA-N 444.874 5.310 30 10 IKEE CCOc1cccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 170137204 DMUPCOFYGURMJV-UHFFFAOYSA-N 443.890 5.007 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccn2)cc1C 170179411 UZSWYNGTMRGZQX-QHCPKHFHSA-N 434.536 5.090 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccccc2)cc1OC 170226798 BRYPINSHNATHNZ-JOCHJYFZSA-N 449.890 5.140 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccccc1 170228827 XVKUKCIUJKNJFC-RUZDIDTESA-N 441.527 5.813 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@@H]1c1ccc(Cl)cc1 170236758 VOTQNSWUQCFUTN-FQEVSTJZSA-N 448.346 5.771 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2ccccc2)cc1 170265546 MBJGTYOPLUDHNH-AREMUKBSSA-N 433.507 6.185 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccco2)c1 170282561 UDUWQYQFUUXVHO-QHCPKHFHSA-N 431.488 5.468 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC(C)C)cc3)[C@H]2c2ccco2)c1 170283030 SWBDELWKZRHXND-HSZRJFAPSA-N 431.488 5.406 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccco2)ccc1Cl 170285497 MIGRRAYQIUETFH-NRFANRHFSA-N 437.879 5.341 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@H]2c2ccco2)c1 170288566 ZLALFDDSELFQPX-NRFANRHFSA-N 437.879 5.423 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccc(C)o2)cc1 170300064 SHBHCTVGEKVCEP-QHCPKHFHSA-N 431.488 5.386 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2c2ccc(Cl)cc2)o1 170303263 WGIBUXCUSXBZEF-QFIPXVFZSA-N 449.890 5.349 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2Cc2cccnc2)o1 170307628 AWEVWIRAYDRDQO-IBGZPJMESA-N 443.286 5.068 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2sccc2C)c(OC)c1 170314221 VNWYLBQUBCCKEO-NRFANRHFSA-N 449.528 5.165 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(Cl)cc(Cl)c2)[C@H]1c1ccccc1F)c1ccco1 170381924 XMPJVZPOLRQVNF-SFHVURJKSA-N 432.234 5.508 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2nc3cc(F)c(F)cc3s2)c1 170461586 RPXGEPOBBARRGP-HXUWFJFHSA-N 442.487 5.398 30 10 IKEE O=[N+]([O-])c1ccc(O)c(C=Nc2ccc3oc(-c4cc5ccccc5cc4O)nc3c2)c1 254354932 YZYMSUGUDVWGKE-UHFFFAOYSA-N 425.400 5.718 30 10 IKEE CCCCCCc1ccc(C(=O)Oc2ccc(C=Nc3ccc(CCCC)cc3)cc2)cc1 254528081 PISITWOMBHPRRW-UHFFFAOYSA-N 441.615 8.122 30 10 IKEE CCSc1nnc(-c2ccco2)n1N=Cc1ccc(COc2c(C)cccc2Cl)o1 254904458 NODUABXAUIRUAN-UHFFFAOYSA-N 442.928 5.666 30 10 IKEE Cc1ccc(N=C2S/C(=C\c3ccc(N(C)C)cc3)C(=O)N2Cc2ccccc2)cc1 263626629 PFHVPONELDKSGE-SIFMURAYSA-N 427.573 5.865 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccccn2)c1 526487979 ILVVSNGZSXBYQF-DEOSSOPVSA-N 425.488 5.189 30 10 IKEE CCOc1cc(/C=N\n2cnnc2SCc2ccc(F)cc2)cc(Cl)c1OC(C)C 526801351 LWFOIJAXQRSKRU-GATIEOLUSA-N 448.951 5.431 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1/N=C\c1ccc(Cl)c([N+](=O)[O-])c1 526803824 PGCJPUAEXBNBMX-FMCGGJTJSA-N 447.923 5.496 30 10 IKEE CC(C)Oc1ccc(/C=N\n2cnnc2SCc2ccc(Br)cc2)cc1 526819215 FFFHJHWMRXLYHU-JJFYIABZSA-N 431.359 5.002 30 10 IKEE C=C(C)CN(c1ccc(OCC(C)C)cc1)S(=O)(=O)c1ccc(CCCCCC)cc1 586232370 DDNHRIICJFXSLO-UHFFFAOYSA-N 443.653 6.616 30 10 IKEE CC(C)(C)OC(=O)N1CCC([C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccccc2)CC1 698442236 DXEJLJXLLIDHBP-XMMPIXPASA-N 429.561 5.357 30 10 IKEE Cc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)cc1Cl 698487808 HUZYDLVQESRIDE-SFHVURJKSA-N 435.749 6.417 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCN(C(=O)OC(C)(C)C)[C@@H]2C)c1 710776909 LKEUVBPRUYRCMK-KOSHJBKYSA-N 429.561 5.418 30 10 IKEE CC[C@@](C#N)(CC1CCCCC1)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 720366810 JUHHWLBAASYFJV-QFIPXVFZSA-N 435.406 6.833 30 10 IKEE N#C[C@H](C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1)c1nc(O)c2c3c(sc2n1)CCCC3 731287404 ALUAMVUYSCZGKW-SLFFLAALSA-N 439.540 5.409 30 10 IKEE Cc1ccccc1N=C1NC(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)S1 1084268931 XJBQCMMZLVEPGN-YBFXNURJSA-N 439.880 5.708 30 10 IKEE C=C1CC[C@H](O)C/C1=C/[C@@H](O)[C@@]1(O)CCC[C@@]2(C)[C@H]([C@@H](C)/C=C/[C@@H](C)C(C)C)CC[C@@H]21 1084294705 KXILCRGOVVVVRF-JUCMIPNFSA-N 430.673 5.807 30 10 IKEE Cc1cc2c(cc1C)CN(c1cccc(C(=O)/C=C\c3ccc(Br)cc3)c1)C2 1084541732 GJVXFLJVYNNETG-FLIBITNWSA-N 432.361 6.482 30 10 IKEE Cc1ccccc1[C@H]1[CH]S/C(=N\CC(=O)N(c2ccccc2)C(C)C)N1c1ccccc1 1615062515 BHOVXQFNYYCOHA-KQWPUEFFSA-N 442.608 6.249 30 10 IKEE CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2)SC1=Nc1cccnc1 1772731855 REKDEDIVCDVQPR-NEAWXCLQSA-N 449.963 5.938 30 10 IKEE N#Cc1ccc(NC(=O)c2nn(Cc3ccccc3F)c(-c3ccccc3)c2Cl)cc1 1859382464 BVFVZJXAMFQAEH-UHFFFAOYSA-N 430.870 5.515 30 10 IKEE N#Cc1cccc(C(=O)Nc2ccc(Cl)c(NC(=O)C34CC5CC(CC(C5)C3)C4)c2)c1 1860461796 RPBSSCCNYJSXNH-UHFFFAOYSA-N 433.939 5.619 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 1860729839 RFBSERLLFWOFFB-FMIVXFBMSA-N 436.851 5.048 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)c1ccc2nc(C)c(C)nc2c1 1861396787 ZRKCGWRFDPVQCL-HSZRJFAPSA-N 440.632 5.402 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccc(C)cc2)cc1 1862389941 RDDUEOFYWQEQNZ-VWLOTQADSA-N 449.591 5.731 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(CCCC)cc3)=C(O)C(=O)N2CC)cc1 1862400207 YGFVJGRINUTFIG-VWLOTQADSA-N 449.591 6.196 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(Cl)c(Cl)c1 1862450502 JFJSFNNEPZWPJL-ADLMAVQZSA-N 438.738 6.024 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2Cc2cccs2)cc1 1862456463 SBMLKRCKEJFPRU-HXUWFJFHSA-N 443.446 5.252 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccccc1F 1862457229 LKADZVMWSTVDIZ-HXGDPMPDSA-N 447.428 5.400 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2CC(C)C)c1 1862461432 FNYJQRZYXVYEQE-NRFANRHFSA-N 447.453 5.127 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(Cl)c(Cl)c2)c1 1862498683 NTOAXVIYUFZPSP-OAQYLSRUSA-N 444.358 6.131 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1cccc2ccccc12 1862531481 OIDDKDDCMUDOQK-SANMLTNESA-N 441.571 6.561 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1Cl 1862583682 IGWOLZZCMBORSB-VOJFVSQTSA-N 438.738 6.024 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2)cc1 1862614714 FKHNCEDBWDHAAD-QHCPKHFHSA-N 426.516 5.158 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(F)cc1F 1862651408 RYUZXCQXLUSFKT-DEOSSOPVSA-N 449.497 6.277 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cc(Cl)cc(Cl)c1 1862658142 MSMYYHMJFKYCRW-NRFANRHFSA-N 440.326 6.133 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(C)cc2)cc1 1862674788 UBPYJCDUSVHIPG-AVRWGWEMSA-N 443.518 6.036 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@H]2c2ccc(C)cc2)c1 1862698554 JUMSSNAWIPJREP-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(F)cc1 1862725040 ZQYLNZCQOLKYCT-BXKMTCNYSA-N 429.491 5.870 30 10 IKEE CCCCCCCOc1cn(CC(C)C)c(CN2CCN(c3ccccc3)CC2)cc1=O 1870409386 QLYLNMZIPQRSQG-UHFFFAOYSA-N 439.644 5.176 30 10 IKEE C=CCOc1cn(CCCCc2ccccc2)c(CNc2ccc(N(C)C)cc2)cc1=O 1870809621 MQCMEBIZYKACHT-UHFFFAOYSA-N 431.580 5.114 30 10 IKEE CCCCCCCOc1cn(CCC)c(CNc2cc(C(C)C)cc(C(C)C)c2)cc1=O 1870831508 BGCBKBDCPUINEE-UHFFFAOYSA-N 440.672 7.466 30 10 IKEE CCCCCCCOc1cn(Cc2ccccn2)c(CNc2ccc(C)cc2C)cc1=O 1870838212 UEIFKSSCDBOGSR-UHFFFAOYSA-N 433.596 5.870 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccccc1Br)O3)CN(CCC(C)C)CO2 1871352848 FJYBZJSUXIUDDL-JAIQZWGSSA-N 442.353 5.572 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN(Cc2nc4ccccc4[nH]2)C3)C1=O 1871355261 AKVMGCYETNYVCB-FMCGGJTJSA-N 437.499 5.148 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OC(=O)CC4CCCCC4)ccc3C2=O)c2ccccc21 1871380374 LCNSMMSDPCSPMQ-MYYYXRDXSA-N 429.516 6.153 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)OC(C)C)cc2c1C(=O)/C(=C/c1ccc(-c3ccccc3)cc1)O2 1871400634 GZZAKNAYLOOLPG-QETRNLNESA-N 442.511 5.997 30 10 IKEE Cc1ccc(OCCOc2ccc3c(c2C)O/C(=C\c2ccc(N(C)C)cc2)C3=O)cc1 1871405285 IEKWYZBSTOHFOO-UQQQWYQISA-N 429.516 5.443 30 10 IKEE O=C1/C(=C/c2c(F)cccc2Cl)Oc2cc(OCCOc3ccc(Cl)cc3)ccc21 1871412738 AYIJISWLXDFLSD-XKZIYDEJSA-N 445.273 6.207 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 1871424208 BBPFKGXULXJZNG-DNUMDTLGSA-N 439.511 5.747 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccc(C#N)cc4)cc(C)c3C2=O)c1 1871436344 VXVCVCSTCHNRJG-WTZXFZKGSA-N 438.483 5.197 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(Cl)cc2)ccc2c1O/C(=C\c1cccs1)C2=O 1871441132 ZNHSUAXEMPJZPJ-ODLFYWEKSA-N 425.893 5.344 30 10 IKEE CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2cccs2)C3=O)cc1 1871447999 FSUHVSYMUPZWIA-NXUSMQHESA-N 447.512 5.281 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)cc1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1871775959 JLYOGWXGBHEWKL-YADARESESA-N 442.625 5.232 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccccc1CC)S(=O)(=O)c1ccc(C)c(C)c1 1872472589 FIBVTCDKGVIBGN-XMMPIXPASA-N 442.625 5.240 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc2nc(-c3ccccc3OC(C)C)[nH]c2c1 1872739434 MJLUJKBJMFIZQI-UHFFFAOYSA-N 435.612 6.888 30 10 IKEE C[C@@H](Oc1ccc(Cl)cc1)C(=O)[C@H](C#N)c1nc(-c2ccc3ccccc3c2)cs1 1872759983 DWNHLFWZKDLVDO-VFNWGFHPSA-N 432.932 6.260 30 10 IKEE CCc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(Br)cc3)n2)cc1 1872761226 ITMMAKBJPOVOBV-SFHVURJKSA-N 425.351 5.554 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)c2ccc(C(C)(C)C)cc2)n1 1872785645 RWTYKKOOWZSRAE-QFIPXVFZSA-N 430.617 7.204 30 10 IKEE Cc1cc(C(=O)[C@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)ccc1[N+](=O)[O-] 1872787532 LIYZCGBDQICVFH-AWEZNQCLSA-N 432.288 5.824 30 10 IKEE CCCCCCN(CCCC)CC(=O)[C@@H](C#N)c1nc(-c2ccc(F)cc2)c(C)s1 1872799008 CBPYFAIWAXORDI-OAQYLSRUSA-N 429.605 6.116 30 10 IKEE C=CCN(CC=C)C(=O)c1ccc2nc(SCC(=O)Nc3ccccc3C(C)C)[nH]c2c1 1872816814 VVIWMVIQZVFQCB-UHFFFAOYSA-N 448.592 5.231 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)c(Cl)c2)cc2c(NCc3ccco3)ncnc21 1873623890 XDTKGUYBWAOBGR-UHFFFAOYSA-N 442.306 5.382 30 10 IKEE C=CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1ccc(O)cc1 1874203313 VUPYWLNKZJRWQD-MFKUBSTISA-N 436.581 5.329 30 10 IKEE C=C(C)CSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1ccc(O)cc1 1874206067 ISUBTGBOGNAGNS-AUEPDCJTSA-N 449.363 5.420 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1ccccc1OC 1874223736 AOIKSYRGKPCBKN-XIEYBQDHSA-N 436.581 5.021 30 10 IKEE Fc1cccc(CSc2nnc(COc3cc(F)ccc3F)n2/N=C/c2ccco2)c1 1874260294 SJEOIBVBCYPYAC-OPEKNORGSA-N 444.438 5.042 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(CCc2ccc(Cl)cc2)nnc1SC 1874281735 YLZCNBAEIDGRLG-MFKUBSTISA-N 436.968 5.483 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccccc3)n2/N=C/c2ccccc2O)CC1 1874288084 MZMAPGQDXMGAHH-OVVQPSECSA-N 448.636 6.622 30 10 IKEE Clc1ccc(Cc2nnc(SCc3ccccc3Cl)n2/N=C/c2ccc[nH]2)cc1 1874342176 CWKMGQHTPCHAHX-DHRITJCHSA-N 442.375 5.678 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2)n1/N=C/c1ccc(N(CC)CC)cc1 1874384775 HYAIFVNBIFVSSJ-PCLIKHOPSA-N 435.597 5.254 30 10 IKEE Cc1ccc(CSc2nnc(Cc3cccs3)n2/N=C/c2ccccc2[N+](=O)[O-])cc1 1874410882 ATYKEXLULXBSDK-OEAKJJBVSA-N 449.561 5.322 30 10 IKEE CCCCCCOc1ccc(/C=N/n2c(SCCC)nnc2C2CCC2)cc1OC 1874496209 AIRUGZRYWPZVDE-JJIBRWJFSA-N 430.618 5.898 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(COC)nnc2SCc2ccc(F)cc2)cc1 1874500335 NPIDYBBWVALYGW-MFKUBSTISA-N 442.560 5.307 30 10 IKEE CCCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1/N=C/c1ccc(Cl)cc1 1874503736 XJGBWHBVHWUQRV-ZMOGYAJESA-N 441.988 5.114 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc(C(C)(C)C)cc1 1874508298 VTHSEOUVJHMHRB-MFKUBSTISA-N 427.017 6.356 30 10 IKEE C=C(C)COc1ccc(Br)cc1/C=C/C(=O)c1ccc(Cl)cc1Cl 1874573439 OAYCLERQHDYIBM-XVNBXDOJSA-N 426.137 6.607 30 10 IKEE O=C(COc1ccccc1/C=C/C(=O)c1ccc(Cl)c(Cl)c1)NCc1ccccc1 1874579002 ROAOARPEOXUZRX-ACCUITESSA-N 440.326 5.585 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2C)cc1 1874579676 AZMGVRMORUWPIR-FOWTUZBSSA-N 443.543 6.006 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3ccccc3c2/C=C/C(=O)c2ccc(F)cc2)c1 1874583726 CTJCEZXBKLPSHN-CCEZHUSRSA-N 439.486 6.201 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccccc2)c(OCC)c1 1874589229 AIJMDLKSTTWMGF-SAPNQHFASA-N 445.515 5.398 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2ccccc2OCc2ccc(Cl)cc2)cc1Cl 1874590718 RXFODKWJUXOIRQ-DHZHZOJOSA-N 447.745 7.131 30 10 IKEE COC(=O)c1ccc(COc2cccc(/C=C/C(=O)c3cc(C(C)(C)C)ccc3C)c2)o1 1874600083 RNZCJGFJVNENKS-JLHYYAGUSA-N 432.516 6.147 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OC 1874614545 QYDDSPNCKIEGGY-RIYZIHGNSA-N 449.934 5.825 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(Br)c(OCCC)c(OCC)c2)cc1 1874617298 UUGQXELKENLTMP-KPKJPENVSA-N 447.369 6.322 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OCc1cccc(Cl)c1 1874618752 RFLPOGZROLXZBP-OUKQBFOZSA-N 446.974 7.169 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(Cl)c1OCc1ccccc1C 1874623409 BIJCNZLYGUCDND-CCEZHUSRSA-N 442.942 7.285 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OCc2ccc(F)cc2)c([N+](=O)[O-])c1 1874629532 HSROYBHIEKSIGT-UXBLZVDNSA-N 435.451 5.834 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)ccc1OCc1ccccc1C 1874634022 HWTNPKLJZYLGMV-PKNBQFBNSA-N 436.935 6.449 30 10 IKEE CCCCCCC(=O)Oc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1OC 1874695189 OLSFTMMEENFXMQ-XYOKQWHBSA-N 435.347 6.774 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1OC(=O)CCCSC 1874697765 ONNGTLJMMLCVAA-CSKARUKUSA-N 449.366 5.402 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(CC)cc3)c2)cc1 1874701654 DKNSBFMKBRLMQN-LZYBPNLTSA-N 444.527 6.162 30 10 IKEE COc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(F)c(C)c3)c2)cc1[N+](=O)[O-] 1874703811 ISMJMGCMSAOFRF-UXBLZVDNSA-N 435.407 5.166 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OC(=O)c1ccc(F)c(F)c1 1874703906 NKSRQMWNYCLHQA-YCRREMRBSA-N 426.390 5.536 30 10 IKEE COc1ccccc1OCC(=O)Oc1cccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c1 1874706158 SGWRNTXEKFBIOP-SFQUDFHCSA-N 444.527 5.873 30 10 IKEE CCCCC(=O)Oc1c(OCC)cc(/C=C/C(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] 1875124713 YGPKSSOSHISTNJ-ZHACJKMWSA-N 431.872 5.639 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3cccc(C)c3)c(Cl)c2)cc1 1875133451 VMHYCTXKLZJMBI-GXDHUFHOSA-N 448.946 6.618 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@H]2CCCO2)c(Cl)c1)c1ccc(Cl)c(Cl)c1 1875135524 VCKQETOGCBPBNX-SXQCNTSWSA-N 425.695 5.627 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)cc(Cl)c1OC(=O)C(C)(C)C 1875145656 RTJAFDSSLOVXGM-MDZDMXLPSA-N 430.928 5.903 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1Br 1875158149 HXAQLOVAPHTNTA-WUXMJOGZSA-N 445.328 6.360 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc3c(c2)OCO3)cc1 1875169988 XABBSPGOMPOCCC-UXBLZVDNSA-N 430.456 5.156 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)c(OC)cc2OC)cc1Cl 1875174541 WZFSCXGFXVRBKE-VQHVLOKHSA-N 437.319 6.002 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3c(C)cc(C)cc3C)cc2OC)cc1 1875184809 RFVCHVHCILYSFO-UKTHLTGXSA-N 428.528 6.298 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3)c(Cl)c2)cc1Cl 1875187059 LECFRAOJVCDYRG-XNWCZRBMSA-N 445.273 6.256 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)ccc1OC(=O)c1cncc(C)c1 1875194411 RHPPLMADFSPLLK-QPJJXVBHSA-N 437.879 5.176 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N1CCC[C@H](C)C1)n2CC 1875201649 UPZYAKJWNJLKRO-FQEVSTJZSA-N 427.637 5.876 30 10 IKEE C=C(c1ccccc1)[C@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 1888711903 NRKIIEZFFDQRAI-LSYYVWMOSA-N 449.639 5.237 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1945527673 TXPALLHSCNXHGL-MNEFBYGVSA-N 449.979 5.619 30 10 IKEE C#CCCCCC[C@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 1947484323 JMSKEYWWBMQJDJ-DNQXCXABSA-N 430.633 5.439 30 10 IKEE CC(C)(C)OC(=O)Nc1c(Br)cc(Br)cc1CCCS 1951389347 QTTMMONLHOUDFO-UHFFFAOYSA-N 425.186 5.421 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@]1(CCF)CCCN1C(=O)OC(C)(C)C 2023629379 BHOCQSOZFPJZRW-RCZVLFRGSA-N 434.596 5.257 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2032216269 HCIXRKXSUOHPSY-XDHUDOTRSA-N 447.551 5.544 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@H]2CCCCN2C(=O)OC(C)(C)C)c1 2032405306 HQOVMKLHDJKEJL-PMACEKPBSA-N 445.560 5.118 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)c(Cl)c1 2041579832 WNUPUGPEFWRUJI-IAGOWNOFSA-N 431.802 5.613 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)cc(Br)c1)NCCC 2063090786 VHRLHZVSMZIVTR-DLBZAZTESA-N 431.802 5.093 30 10 IKEE C#CCCCC[C@@H](N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071361955 YGTICSTVWHTYGE-LEAFIULHSA-N 429.560 5.399 30 10 IKEE Cc1ccc([C@H](C2CCC2)n2nc(C(C)C)c(C=NO)c2Br)c(F)c1F 2079877902 GEYVJWPZRBVTKO-SFHVURJKSA-N 426.305 5.553 30 10 IKEE CC(C)Oc1ccc([C@H](C2CC2)n2nc(C(F)F)c(C=NO)c2Br)cc1 2080069892 YMQVEHLGCDIYIZ-INIZCTEOSA-N 428.277 5.178 30 10 IKEE CC(=O)Oc1ccc([C@H](n2nc(C(C)(C)C)c(C=NO)c2Br)C2(C)CC2)cc1 2080093464 CZNRGYDJOBDYOG-SFHVURJKSA-N 448.361 5.066 30 10 IKEE C#C[C@H](NCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C1CCCC1 2083599905 DQZXGJXZPZHRBS-MHZLTWQESA-N 425.572 6.126 30 10 IKEE Cc1nc(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)c(C)s2)c(C#N)c(C)c1C 2084270592 AVWBVGBZHZYWLW-LJQANCHMSA-N 432.574 5.279 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(C)sc(C)c1Br 2087631055 DEIXJYBWCNQWEE-QAPCUYQASA-N 445.467 6.028 30 10 IKEE CCCN[C@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)C1CCCCC1 2142980620 WVGMKRWBFGVHGJ-GDLZYMKVSA-N 446.683 5.463 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCCC12CCNCC2 2144621735 MWEXTGAKYNEATC-NRFANRHFSA-N 434.378 5.007 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(CCNc2cc(Br)c(C#N)cc2F)cc1 2162340853 WILDODHBMKPCRQ-UHFFFAOYSA-N 434.309 5.461 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCC)c2cc(C)cc(Br)c2F)C1 2183005996 FNTHVVLRNCDVMU-GOSISDBHSA-N 441.385 5.408 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](Cc2ccc(Br)cc2F)NCCC)C1 2197753980 OOYXTQYNANBSCM-GOSISDBHSA-N 441.385 5.112 30 10 IKEE CCCCCCC[C@@H](O)c1sc(Br)c(Br)c1Br 2216401750 NVVANPAVFDOWFD-MRVPVSSYSA-N 449.046 6.430 30 10 IKEE C=CCC[C@H](C)[C@H](NC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2229107149 GMTVKXBJOOPIGI-SNRMKQJTSA-N 425.411 5.075 30 10 IKEE CC=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C#Cc1ccccc1Br)NCCC 2235747040 MXHSOYMTEGJPAU-WOJBJXKFSA-N 435.406 5.028 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cccc(Cl)c1Br 2259397665 ZYRXBJXFWKVNPN-RDJZCZTQSA-N 431.802 5.613 30 10 IKEE CCCN[C@H](CC#CC1CCCC1)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2261099663 GHBPBTWMLHJWCN-RPBOFIJWSA-N 442.644 5.439 30 10 IKEE C=C(COC)[C@@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2263063909 XZNQNULQQPJBLT-HHHXNRCGSA-N 433.548 5.064 30 10 IKEE O[C@@H](C#Cc1ccc(Br)cc1)c1ccc(Br)cc1Br 2278777223 BNLRHFVGAWSEHP-HNNXBMFYSA-N 444.948 5.059 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)C#CC1CCCCC1 2289645479 DSXUDFZQKVCJBB-IBGZPJMESA-N 434.374 5.038 30 10 IKEE COc1ccccc1N=C1SC(=Cc2ccc(F)cc2)C(=O)N1c1ccccc1OC 2294193317 DHRUPQPUPGPOQB-UHFFFAOYSA-N 434.492 5.652 30 10 IKEE CCc1ccc(NC(=O)OC(C)(C)C)c([C@H](N)C#Cc2ccc(Br)cc2)c1 2296288901 LTDBTNCMFFIXEP-LJQANCHMSA-N 429.358 5.410 30 10 IKEE CSc1ccc(C=C2SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1 2296826767 OPLJQUSNFAWQNM-UHFFFAOYSA-N 430.598 6.834 30 10 IKEE C=CCOc1ccc(C=C2SC(=Nc3ccc(Cl)c(C(F)(F)F)c3)NC2=O)cc1 2296883539 XZZREPGMDDOHPE-UHFFFAOYSA-N 438.858 5.815 30 10 IKEE CCC(C)(C)[C@@H]1CCc2sc3ncnc(NN=CC=Cc4ccccc4OC)c3c2C1 2297308476 OQMKVRXONMWMOV-GOSISDBHSA-N 434.609 6.352 30 10 IKEE Sc1nnc(C2CCC2)n1N=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 2321901710 LFARXQSHWCPPJC-UHFFFAOYSA-N 433.364 5.602 30 10 IKEE O=C(C=Cc1ccccc1OCc1cccc2ccccc12)c1ccc(Cl)cc1Cl 2322379273 DTNOZGKEOYMPEL-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE COc1ccccc1C(=O)C=Cc1cccc(OC)c1OCC(=O)Nc1ccc(C)cc1C 2322485550 BVBLRBUBNNEUNS-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1 2322607359 FPCKNIVBQFQQAL-UHFFFAOYSA-N 440.514 7.243 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccccc1OCC(=O)Nc1ccc(C)cc1C 2322638290 IBDQFAGRPRIQKV-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2c(OCCc3ccccc3)ccc3ccccc23)c1 2322659856 YFWTWUJDILZPEW-UHFFFAOYSA-N 438.523 6.375 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(F)c(F)c2)c1OCc1ccccc1C 2322781582 OVNPFXRZACVRPA-UHFFFAOYSA-N 428.862 6.410 30 10 IKEE CCc1ccc(NC(=O)COc2cc(C=CC(=O)c3cc(C)ccc3C)ccc2OC)cc1 2323160981 WXJXIFJIEVVDPZ-UHFFFAOYSA-N 443.543 5.788 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc1OCc1ccccc1C 2323229891 JDIWEEDQGNNBHR-UHFFFAOYSA-N 444.571 6.785 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc(Cl)c1OCCCO 2324280813 BHGOEPRYYNGXLD-UHFFFAOYSA-N 438.907 5.798 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OCc1ccc(Cl)cc1 2324319678 ASPGCXFQYOOXQS-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OCc1ccccc1Cl 2324381369 GJMGLQPCUQITHT-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc([N+](=O)[O-])c1OCc1cccc(F)c1 2324451863 LXHGZJFMFHIKAC-UHFFFAOYSA-N 449.478 6.225 30 10 IKEE CCOc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3cccc(Cl)c3)cs2)cc1OC 2324474728 ODEOANCPOHAJSM-GOSISDBHSA-N 438.936 5.760 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccc(C)cc4C)cc(C)c3C2=O)cc1 2324494413 GSEXPFISJYTUOS-FQEVSTJZSA-N 441.527 5.942 30 10 IKEE Cc1cccc(OCCCCOc2ccc3c(c2)OC(=Cc2ccc4c(c2)OCO4)C3=O)c1 2324571030 NIQFDMZTDPAWJE-UHFFFAOYSA-N 444.483 5.578 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(Cl)c2)ccc1OCc1ccccc1F 2324623340 HDHJUKYJHFTZDI-UHFFFAOYSA-N 440.898 6.362 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3cccc(F)c3)c(OC)c2)cc1Cl 2324625756 JUCZDOVTCUPPJW-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE Cc1cccc(C(C)C)c1NC(=O)COc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O 2324989649 IGCZWKIJDXIHAU-UHFFFAOYSA-N 445.490 5.891 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O 2325092541 JZKRFDHBPILJMM-OAQYLSRUSA-N 426.484 5.723 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1ccc2c(c1)OC(=Cc1cccc(OC)c1)C2=O 2325092586 SSNYCUKFBPUQOT-QFIPXVFZSA-N 438.520 5.592 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1sccc1C 2325571707 OLCIFSGJDWWBIC-UHFFFAOYSA-N 425.410 6.082 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(Cl)c(Cl)c2)c1)c1ccc2ccccc2c1 2325700054 PRJNWSCNPVNQNQ-UHFFFAOYSA-N 447.317 7.262 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1OC(=O)CCCSC 2325708553 FFMDKOIOOZRTGR-UHFFFAOYSA-N 439.360 5.947 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1c(F)cccc1Cl)C2=O)Nc1ccc(F)cc1 2325727615 HEDGZIMCJYKKJS-UHFFFAOYSA-N 441.817 5.252 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2cccc(Cl)c2)cc1OC(=O)C(C)C 2325728056 VDTRLLJPWDIZIZ-UHFFFAOYSA-N 437.717 5.569 30 10 IKEE Cc1ccc2oc(=O)cc(COc3ccc4c(c3)OC(=Cc3sccc3C)C4=O)c2c1 2325741425 WOZXZJZYXRHWTB-UHFFFAOYSA-N 430.481 5.667 30 10 IKEE COc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc(C(C)C)cc3)c2)cc1 2325750773 BRWUCNYEXXFUOE-UHFFFAOYSA-N 430.500 5.699 30 10 IKEE CCOc1ccccc1OCc1nnc(SC)n1N=Cc1ccc(Cl)cc1Cl 2326795781 UYTKBMFVXVDDOJ-UHFFFAOYSA-N 437.352 5.167 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1ccc(OC)cc1 2327363045 OQJPRRJJNDXVNT-UHFFFAOYSA-N 436.581 5.369 30 10 IKEE Cc1ccc(C)c(CSc2nnc(COCc3ccccc3)n2N=Cc2cccnc2)c1 2329343026 WZKFDQXRLGCPJK-UHFFFAOYSA-N 443.576 5.181 30 10 IKEE COc1cccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2C)c1O 2330461878 ZZSGDYLTAYSPIG-UHFFFAOYSA-N 444.560 5.066 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1C 2330642820 GDWLAUBVPFHSPC-UHFFFAOYSA-N 431.444 5.417 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1cccc(C)c1 2330671238 NJYKBCUYSSANEW-UHFFFAOYSA-N 436.507 6.662 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1OC 2330707255 COJJXWASJVABDA-UHFFFAOYSA-N 438.479 5.972 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(CC)cc3)c([N+](=O)[O-])c2)cc1 2330750184 ZBBAUUFRJGLYND-UHFFFAOYSA-N 429.472 5.835 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 2330802180 IZCDVNYEHMOSFZ-UHFFFAOYSA-N 425.311 6.346 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C(F)(F)F)c(Br)c1)c1ccccc1Cl 2330919515 JTWJVDSRBCSWSM-UHFFFAOYSA-N 433.607 5.466 30 10 IKEE Clc1ccc(CSc2nnc([C@@H]3CCCO3)n2N=Cc2cccc(Cl)c2)cc1 2330990109 JIVDICUAQFOFIW-SFHVURJKSA-N 433.364 5.611 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc([N+](=O)[O-])cc1 2331018425 RBBUQRLMMQFCSB-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccco3)cc2)cc1OCCC 2331109015 GBFLIBLONOQXTE-UHFFFAOYSA-N 434.488 5.973 30 10 IKEE CCOc1cc(C=Nn2c(SCc3ccc(C)cc3)nnc2-c2ccco2)ccc1O 2331167668 GNMCHWUPMVSGCO-UHFFFAOYSA-N 434.521 5.125 30 10 IKEE COc1cccc(C=Nn2c(SCc3cccc(C)c3)nnc2-c2ccco2)c1OC 2331183230 GMPQZRZJDDAGLY-UHFFFAOYSA-N 434.521 5.038 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)[C@@H](C)Oc1ccc(C(C)C)cc1 2331184897 ZDOLJQXBMWMVHY-HXUWFJFHSA-N 444.527 6.088 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)Cc1cc(C)ccc1C 2331281860 ZJMURAZZYPWXGA-UHFFFAOYSA-N 428.528 6.055 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1cc(C)ccc1O 2331349235 CAUWSMAZWIIYLX-UHFFFAOYSA-N 449.407 6.116 30 10 IKEE CCc1ccc(C=Nn2c(CC(C)C)nnc2SCC(=O)Nc2cc(C)cc(C)c2)cc1 2331439928 FSCLWEAMTJYRAJ-UHFFFAOYSA-N 449.624 5.269 30 10 IKEE O=[N+]([O-])c1cc(C=Nn2c(SCCc3ccccc3)nnc2C2CCC2)ccc1Cl 2331526164 ZULGAIGDXGIMLC-UHFFFAOYSA-N 441.944 5.324 30 10 IKEE O=C(CC12CC3CC(CC(C3)C1)C2)Oc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1 2331555151 DEESCYIECYCFML-UHFFFAOYSA-N 436.498 6.373 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)c(C)c1 2331764705 WWAGECRRNIJERX-UHFFFAOYSA-N 449.890 6.289 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)CCc1ccccc1 2331780293 WHBNKRNGEMYGLY-UHFFFAOYSA-N 428.528 6.055 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(Cl)c2)cc([N+](=O)[O-])c1OC(=O)C(C)C 2331832090 CWLJGOTYKTXJIU-UHFFFAOYSA-N 447.871 5.113 30 10 IKEE C=CCCC1(C(=O)c2cc(Cl)cc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2337160909 YUJPWWUXRSDBNW-UHFFFAOYSA-N 446.744 5.628 30 10 IKEE C=CC[C@@](C)(NCc1ccc(I)c(Br)c1)C(F)(F)F 2349850878 CENZGILEODWRRO-GFCCVEGCSA-N 448.064 5.040 30 10 IKEE CC(C)(C#N)CCCCOCc1ccc(I)c(Br)c1 2350076168 BUPYDCUQJDMURP-UHFFFAOYSA-N 436.131 5.290 30 10 IKEE CN[C@H](C#Cc1ccccc1Br)c1ccc(NC(=O)OC(C)(C)C)cc1Cl 2361047237 NNHLGUQHFNABFA-LJQANCHMSA-N 449.776 5.762 30 10 IKEE CO[C@H](C#C[C@@H](O)c1ccc(Br)cc1NC(=O)OC(C)(C)C)C1CCCC1 2369515958 JZAWVLMGLXUSLZ-RTBURBONSA-N 438.362 5.038 30 10 IKEE CCOc1ccc2c(c1)O/C(=C\c1cccc(OCC)c1OC(=O)c1ccccc1F)C2=O 8823940 QBRXHDVTYLQSNG-UCQKPKSFSA-N 448.446 5.459 30 10 IKEE CC(C)Oc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2c(F)cccc2Cl)cc1 21242012 VASOUMJEPHBDMS-DOTOQJQBSA-N 427.903 5.271 30 10 IKEE C=CCn1c(SCc2ccc(C)cc2)nnc1-c1cc(-c2ccccc2)nc2ccccc12 25161468 VBEVMNOVKDDEAU-UHFFFAOYSA-N 448.595 6.947 30 10 IKEE CCCCCc1c(-c2ccc(C#N)cc2)c(C(N)=O)c(C)n1CCc1ccc(OC)cc1 33923130 BTUNJWYMYMPAIE-UHFFFAOYSA-N 429.564 5.418 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc3C2=O)cc1 39753820 QOXKTOFALVUXDZ-QQXSKIMKSA-N 440.539 6.943 30 10 IKEE C=C(C)C(=O)N[C@H](C)c1nc2ccccc2n1CCCCOc1cc(C)c(Cl)c(C)c1 40191296 MXODRMHQCMGIMY-LJQANCHMSA-N 439.987 5.919 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccccc4)c3C)C2=O)cc1 62851174 WZLCMAHCQCLRRK-ULJHMMPZSA-N 427.500 5.677 30 10 IKEE C=C(C)COc1ccc(NC(=O)CNc2ccc(C(=O)N(CC)c3ccccc3)cc2)cc1 66092095 VSHMSZULDOHQQT-UHFFFAOYSA-N 443.547 5.359 30 10 IKEE CCc1cccc(N/C(=N\C(=O)c2ccc(OC)cc2)NCCc2c[nH]c3ccccc23)c1 66437676 NKNCACWAWHREOM-UHFFFAOYSA-N 440.547 5.180 30 10 IKEE CCCCCCCCCCCCCCCCNCC(=O)Nc1ccc(OCCOC)cc1 100055710 GOMIRSWNPKAICT-UHFFFAOYSA-N 448.692 6.721 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)c1ccccc1OCCC(C)C 100147380 ZQGSYARDNCOWER-UHFFFAOYSA-N 431.705 8.323 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(C(C)C)cc2)S/C1=N/c1nc(-c2ccccc2)cs1 101130285 AYRQJSPLAQKBSE-SXVBQMOPSA-N 433.602 6.557 30 10 IKEE CCC[C@H]1S/C(=N/N=C/c2cccc3ccccc23)N(Cc2ccc(OC)cc2)C1=O 102659264 FFUJAZBXOGCWLY-JGTLJEJISA-N 431.561 5.483 30 10 IKEE CCN1/C(=C\C(=O)c2ccccc2Oc2ccccc2)C(C)(C)c2c1ccc1ccccc21 102955848 KSTGRXNWUITMJT-RRAHZORUSA-N 433.551 7.516 30 10 IKEE Cc1ccc(-c2ccc(/C=C\C(=O)c3ccc4noc(-c5ccccc5)c4c3)o2)cc1Cl 103033626 AYEHFMQTYNBBSJ-RAXLEYEMSA-N 439.898 7.613 30 10 IKEE CCO/C(=N/C(=N\S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccc(C)cc1 104602620 TZCUUCVASQVFQS-MZFFAXSWSA-N 440.952 5.267 30 10 IKEE CCOc1ccc(Cl)cc1/C=C1/S/C(=N/c2ccccc2)N(C[C@H]2CCCO2)C1=O 104922596 SYSLHZGKUNLUIS-JHGCOZCUSA-N 442.968 5.522 30 10 IKEE CCc1ccc(N/C=C2/C(=O)c3ccccc3N(Cc3ccc(C)cc3)S2(=O)=O)cc1 105285836 JXEQXTZSODARQB-JLPGSUDCSA-N 432.545 5.044 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OCC(=O)Nc1ccccc1 140265451 BWHAEPWMBRLWHC-SDNWHVSQSA-N 429.516 5.616 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(Oc3cccc(C)c3C)cc2)NC(=S)N1C 169935229 XBEUFULZARDCBN-VWLOTQADSA-N 442.584 6.114 30 10 IKEE CCOc1cc(OCC)c([N+](=O)[O-])cc1/C=N\Nc1nc(-c2ccc(C)cc2)cs1 169943299 SXQNPDLVIUEZBT-UUYOSTAYSA-N 426.498 5.270 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]2c2ccncc2)c(C)c1 170021481 XLEORSUBXUTJTG-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(N(C)C)cc1 170129679 GXZZKIPVYFGWCA-RUZDIDTESA-N 442.559 5.674 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccs2)ccc1Cl 170161338 DFTXZSPIPUOOEI-HXUWFJFHSA-N 439.920 5.501 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)cc4)[C@H]3c3ccccc3)oc12 170223583 BBXKWPXXZQAQNO-QFIPXVFZSA-N 443.430 5.363 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccccc1)c1ccc(Cl)c(Cl)c1 170231028 WMKKQHSNBZQDBG-FQEVSTJZSA-N 439.298 5.167 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(Cl)cc1 170237078 NXHFLCGCNQVQOP-OAQYLSRUSA-N 425.912 5.178 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2F)c1 170249050 RASIPGPPWIJMDC-DEOSSOPVSA-N 445.490 5.643 30 10 IKEE C=CCOc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCC)c1 170324362 UHVYXGGLESPVRJ-XMMPIXPASA-N 427.500 5.393 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)c1 170330272 BSGAPTWRMHWQIO-LJQANCHMSA-N 443.883 5.332 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2cccc3ccccc23)cc1 170369931 GDEDXHSZDSVGQL-XMMPIXPASA-N 436.467 5.026 30 10 IKEE CC(C)(C)c1ccc(/C=N/N=C2/S/C(=C/c3ccccc3)C(=O)N2Cc2ccco2)cc1 210540493 GHMHMBWYHDUHAO-FSRMAIEVSA-N 443.572 6.084 30 10 IKEE Cc1ccc2c(c1)c1c3n2CCN(CC(=NO)c2ccc(Br)cc2)[C@H]3CCC1 252600905 DVMIVQQSTIZTJJ-QFIPXVFZSA-N 438.369 5.284 30 10 IKEE Cc1ccccc1N=C1S/C(=C\c2ccc(C(=O)O)cc2)C(=O)N1c1ccccc1C 252626905 RIEYRCAHBYQSFJ-JXJWTFEASA-N 428.513 5.810 30 10 IKEE C/C(=N\Nc1nnc(SCc2ccc(C(C)(C)C)cc2)[nH]1)c1ccc2ccccc2c1 253563053 DZNWFMYKMHBTKD-WPWMEQJKSA-N 429.593 6.384 30 10 IKEE COc1ccc(/C=C2/C[C@@H]3[C@H]4CC=C5C[C@H](OC(C)=O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cc1 253573939 RZZSYQOCHYTRMK-YGNYVGMYSA-N 448.603 6.152 30 10 IKEE CCOc1cc([N+](=O)[O-])cc(C=Nc2cccc(-c3nc4cc(C)ccc4o3)c2C)c1O 254572119 DEMVFNOLIIQRMV-UHFFFAOYSA-N 431.448 5.875 30 10 IKEE COc1ccc(/C=C2/C[C@@H]3[C@@H]4CCc5cc(OC(C)=O)ccc5[C@@H]4CC[C@]3(C)C2=O)cc1 254582731 FJIRFWDJPBXNKB-XQDSOWGOSA-N 430.544 5.739 30 10 IKEE Cc1ccccc1N=C1S/C(=C2\Sc3ccccc3N2C)C(=O)N1c1ccc(O)cc1 254834136 RVSPVHVYWIMLIF-SEYIQKDNSA-N 445.569 5.879 30 10 IKEE C=C1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2[C@@H]1C 257633908 XWMMEBCFHUKHEX-FJOIJDQBSA-N 426.729 8.025 30 10 IKEE endogenous,in-man CC(C)COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccnc2)c1 526488822 QTIFNQDBTNTTRS-XMMPIXPASA-N 425.488 5.045 30 10 IKEE CCCOc1cccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccccc2)c1 526800733 WQUYQEAGLPEPGW-DIBXZPPDSA-N 442.588 5.832 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1cccc(OCC)c1OC 526819026 LZIXFJLQPOVIJG-MYYYXRDXSA-N 438.597 5.429 30 10 IKEE FC(F)(F)c1cccc(/C=N\n2cnnc2SCc2ccc(Br)cc2)c1 526819128 BWQDGIRLWMCJDV-AQHIEDMUSA-N 441.276 5.234 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1ccc(C(C)C)cc1 526824027 GWYCCPHLGVLJSZ-MSXFZWOLSA-N 433.408 6.445 30 10 IKEE CCOc1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2cccc(Cl)c2)cc1 586220044 MIZKMCMACQDWSA-UHFFFAOYSA-N 426.925 5.006 30 10 IKEE N#Cc1cccc(NC(=O)c2cccc(NC(=O)NC3CCCCCCCCCCC3)c2)c1 586626736 VESOPIUCGRMEFZ-UHFFFAOYSA-N 446.595 6.605 30 10 IKEE C=CCCCCC[C@@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 693684503 MTPZEANJTCVIKO-SHQCIBLASA-N 443.676 5.661 30 10 IKEE Cc1ccc2c(c1)[C@@](C#N)(N(C(=O)OC(C)(C)C)c1cccc(Br)c1)CC2 698455494 CQBCGYLKSXLNJK-JOCHJYFZSA-N 427.342 5.864 30 10 IKEE CC(C)(C[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1)NC(=O)OC(C)(C)C 698903892 VVUUTWFJMSOKSG-KRWDZBQOSA-N 437.968 5.667 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1 698977837 HFDOAVACVHTKTK-RUZDIDTESA-N 428.532 6.580 30 10 IKEE C=C(C)CC[C@H](NCCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 708565679 IOKKUFDUXYIVER-VQTJNVASSA-N 439.438 5.609 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1scnc1Cl 713493181 ZORCVTCIQHVSCL-LBPRGKRZSA-N 428.739 5.565 30 10 IKEE CC(=NNc1nc(SCCC(=O)Nc2ccc(F)cc2)n[nH]1)c1ccc2ccccc2c1 1084142638 OYHQMNJEXFNSFJ-UHFFFAOYSA-N 448.527 5.054 30 10 IKEE CCOc1ccc(C=Nc2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1OC 1084237130 KUPRFUOGSZFTJM-UHFFFAOYSA-N 434.561 6.037 30 10 IKEE COc1ccccc1C=NNc1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)s1 1084625371 UWGZJRZJIVJYQM-UHFFFAOYSA-N 430.489 5.840 30 10 IKEE CCN(CC)c1ccc(-n2c(C(F)(F)C(F)(F)C(F)(F)F)nn(C)c2=S)cc1 1088740706 QQSDAKHJEJFVAS-UHFFFAOYSA-N 430.393 5.076 30 10 IKEE COc1ccc(/N=C2/S/C(=C/c3ccc(Cl)cc3)C(=O)N2[C@H](C)c2ccccc2)cc1 1615181299 BTNUFIUQQYFFJK-IHCKNZSZSA-N 448.975 6.714 30 10 IKEE C[C@H](C[C@H](O)[C@@H]1OC1(C)C)C1=C2C[C@H](O)[C@H]3[C@](C)(CC[C@H]4CC(=O)CC[C@]43C)[C@@]2(C)CC1 1772502548 XOWUWSRAQZUPJP-OUZYOWEHSA-N 444.656 5.204 30 10 IKEE O=C(ON1C(=O)c2ccccc2C1=O)c1cc(C(F)(F)F)ccc1SC1CCCC1 1772790386 NNHGAXAAIDOGSQ-UHFFFAOYSA-N 435.423 5.108 30 10 IKEE C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@H]3[C@@H](C)/C=C/[C@H](C)C(C)(C)O)C[C@@H](O)C[C@@H]1O 1857787878 ZGLHBRQAEXKACO-JOHGBWFJSA-N 428.657 5.727 30 10 IKEE Cc1ccc(NC(=S)N/N=C\c2cn(-c3cccc(C)c3)nc2-c2ccc(C)cc2)cc1 1857808874 JSJAIKRIWXVTAP-YUMHPJSZSA-N 439.588 5.785 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2cc(C(=O)OCc3ccccc3)ccn2)c1 1858758645 DQUYOKHTFAJMAQ-UHFFFAOYSA-N 429.520 5.529 30 10 IKEE N#Cc1cccc(NC(=O)Oc2cccc3c(NC(=O)c4ccnc(Cl)c4)cccc23)c1 1858779297 GPGIZFHXPDFURU-UHFFFAOYSA-N 442.862 5.623 30 10 IKEE CCc1cccc(CC)c1NC(=O)[C@H](C)Oc1cccc(NC(=O)c2cccc(C#N)c2)c1 1860133248 OTVVZWFDPJVSRR-SFHVURJKSA-N 441.531 5.341 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)c1c(F)cccc1Cl 1861845293 ITNJKRNZJYBLQC-FQEVSTJZSA-N 427.004 6.025 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(F)cc2F)n(Cc2ccc(Cl)cc2)n1 1862340298 JKPQYIMJTCMOBI-UHFFFAOYSA-N 427.882 5.344 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1cccc2ccccc12 1862381781 ATNWBHFHLRSIPW-OAQYLSRUSA-N 438.310 5.911 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc(F)cc2F)cc1 1862395788 YRGXNXNXKGFWAD-JOCHJYFZSA-N 427.491 5.542 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccccc2Cl)=C(O)C(=O)N1Cc1ccccc1F 1862429308 KIARHSSDOBDWHR-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@@H]2c2ccccc2F)c1 1862431113 ZSDDRXCHKGWSOE-QHCPKHFHSA-N 449.909 5.874 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc([N+](=O)[O-])c1 1862436313 QBIJOWGRKBCSQQ-HXUWFJFHSA-N 442.899 5.407 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1CCc1cccs1 1862442799 LBLIPXUVHBAJFW-OAQYLSRUSA-N 437.948 5.531 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C(C)C)cc1 1862451462 GTXKWISRGSUOEO-NRFANRHFSA-N 427.928 5.506 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc3cc[nH]c3c2)c1 1862491310 PRTJJYFCEAYFPJ-UODBTFMRSA-N 442.559 5.942 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccc(F)cc2)cc1 1862501853 LWJHEFKRADZJIX-QHCPKHFHSA-N 433.454 5.360 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2c(F)cccc2Cl)cc1 1862531007 CYRRUTZFPXQSHS-OAQYLSRUSA-N 445.918 5.045 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc3ccccc23)cc1 1862531316 LITJAFLRGVARSA-AREMUKBSSA-N 439.555 6.313 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2cccc(Cl)c2)cc1 1862535193 BPZRFEVHODJUGE-POCHDABASA-N 437.967 6.059 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccc(OC)cc2)cc1 1862535971 NWGPHEAGNCIHQN-VWLOTQADSA-N 445.559 5.726 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccccc1Cl 1862546228 TXBWGCYQICZKBT-HSZRJFAPSA-N 437.967 5.843 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc2cc[nH]c2c1 1862546512 ZCTOKIBQHDHZAG-DEOSSOPVSA-N 428.532 5.281 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862560943 KDEGTABHCHPLED-DEOSSOPVSA-N 446.591 5.867 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccc(Cl)cc2Cl)cc1 1862668405 YEMVWMQBGCNVCK-HXUWFJFHSA-N 430.331 5.858 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(F)cc1 1862688203 TVEZUTQHZWHMMT-NFBKMPQASA-N 439.527 5.772 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(C)cc1 1862698246 DUZXOOAULQNUDI-DEOSSOPVSA-N 435.564 5.942 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc(F)c1 1862715926 UJACBDMJHHYOPB-HGMMTPDKSA-N 443.518 6.136 30 10 IKEE Cc1ccc(NC2=C(c3cccc4ccccc34)C(=O)N(c3ccc(C#N)cc3)C2=O)c(C)c1 1862849350 KPXUKDJFESAPDG-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(F)cc2F)C1=O 1862937700 UGJUWBNXVLHHIH-UHFFFAOYSA-N 449.844 5.195 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(Nc2ccccc2C#N)=C(c2ccccc2[N+](=O)[O-])C1=O 1863245906 LPKGUCYXPUUYEC-SFHVURJKSA-N 446.507 5.017 30 10 IKEE COc1ccc(C#N)c(NC(=O)c2cccc(N3COc4ccc5ccccc5c4C3)c2)c1 1865900230 KBRVFSWOAHAPOV-UHFFFAOYSA-N 435.483 5.329 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(OC(F)(F)F)cc1 1866029907 OMPRWTCSYJNKIE-UHFFFAOYSA-N 443.594 8.785 30 10 IKEE CC(C)c1nc(Nc2cccc(C#N)c2)cc(N2[C@@H](Cc3ccccc3)COCC2(C)C)n1 1868220944 CEXIHJZYDZYRLN-QHCPKHFHSA-N 441.579 5.442 30 10 IKEE CC(C)N1CCN(c2cc(Nc3ccc(C#N)cc3)nc(-c3ccccc3)n2)c2ccccc21 1868376060 HCNCJIFZJFJRPP-UHFFFAOYSA-N 446.558 6.125 30 10 IKEE CCOc1ccc(/C=C(/C(=O)Nc2c(C#N)nnn2-c2ccccc2C)c2ccccc2)cc1 1870149298 JAIWFNWRXHJBGE-HAVVHWLPSA-N 449.514 5.025 30 10 IKEE C=CCn1cc(OCc2ccc(F)cc2)c(=O)cc1CSCc1nc2ccccc2[nH]1 1870169778 PIMNUZIHIQPTBU-UHFFFAOYSA-N 435.524 5.062 30 10 IKEE CCCCCCCCCCn1cc(OCc2ccccc2)c(=O)cc1CSCCO 1870271315 DDFJOOFYCAYGAA-UHFFFAOYSA-N 431.642 5.794 30 10 IKEE CCCCCCCOc1cn(Cc2cccc(C)c2)c(CNc2cccc(F)c2)cc1=O 1870835626 AKDPSANACZDKPP-UHFFFAOYSA-N 436.571 6.305 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O)c1ccc(C(F)(F)F)cc1 1871375972 MLZFFFIDAWCKLW-JAIQZWGSSA-N 428.337 5.680 30 10 IKEE O=C(CC(c1ccccc1)c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O 1871380935 KHRQVFUPJZSDEG-VEILYXNESA-N 446.502 6.430 30 10 IKEE O=C(/C=C/c1ccc(-c2ccccc2)cc1)Oc1ccc2c(c1)O/C(=C\c1ccncc1)C2=O 1871384091 XUSJQBUXYGBNRM-QCSRIBFASA-N 445.474 5.984 30 10 IKEE Cc1cc(O)c(CN2C[C@H](C)C[C@@H](C)C2)c2c1C(=O)/C(=C/c1ccc(Cl)c(Cl)c1)O2 1871396345 AWIBRYLFRZAKOY-RYXVLCDZSA-N 446.374 6.102 30 10 IKEE CCOc1ccccc1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccccc1)C2=O 1871402674 LSQQRWNGOPZAET-XHFXOGKZSA-N 443.499 5.416 30 10 IKEE Cc1ccccc1OCCCCOc1ccc2c(c1)O/C(=C\c1ccc(N(C)C)cc1)C2=O 1871404132 CPTUVLCXLZQBTG-IMRQLAEWSA-N 443.543 5.915 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871410659 GUASMHFKHJWRCO-LIAPLOTISA-N 441.527 5.888 30 10 IKEE Cc1cc(OCCC(=O)OCCC(C)C)cc2c1C(=O)/C(=C/c1ccc(N(C)C)cc1)O2 1871429795 YGFNLSKJARFLFI-HAHDFKILSA-N 437.536 5.035 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4c(C)cccc4C)c3C)C2=O)cc1 1871440530 UINGDZKTWGSBIV-IWIPYMOSSA-N 441.527 5.808 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OCCN4CCCCC4)ccc3C2=O)c2cc(OC)ccc21 1871451074 BKNODGFPXBKUES-YSMPRRRNSA-N 446.547 5.151 30 10 IKEE CCc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1 1871454043 GBYJRJGOAYYEQS-YSMPRRRNSA-N 441.527 6.006 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cccc(C(C)(C)C)c1)C(C)C)S(=O)(=O)c1ccccc1 1872211330 BARMQGLCDAJZBO-HSZRJFAPSA-N 442.625 5.214 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccccc1C(C)C)c1ccccc1)S(=O)(=O)c1ccccc1 1872455666 FEJCWANSGKUGET-RUZDIDTESA-N 448.588 5.367 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC 1872760437 OIRDBOFNPXZQBY-KOEDOTQGSA-N 449.488 5.015 30 10 IKEE Cc1cccc(C)c1OCCCC(=O)[C@H](C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1872760747 XEFPTXNMSOBECI-IBGZPJMESA-N 435.505 5.371 30 10 IKEE N#C[C@@H](C(=O)c1ccc(-c2ccccc2)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872763786 VBGZSLLCOFFGOX-NRFANRHFSA-N 425.469 5.875 30 10 IKEE Cc1sc([C@H](C#N)C(=O)CN2C[C@H](C)C[C@@H](C)C2)nc1-c1ccc(Br)cc1 1872801253 ZSIKHUBBLHMTJC-HBUWYVDXSA-N 446.414 5.035 30 10 IKEE C=CCc1ccccc1OCc1ccc(C(=O)NCc2ccc(C(=O)OCCC)cc2)cc1 1872858941 BWOYADJJRWSDST-UHFFFAOYSA-N 443.543 5.491 30 10 IKEE Cc1nc(SCc2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2)c(C#N)c(C)c1C 1872895155 FPGGFWGNJDWANC-UHFFFAOYSA-N 445.544 5.194 30 10 IKEE C=CCN1C(=O)C(Nc2cc(C)ccc2OCC)=C(c2cc(Cl)ccc2Cl)C1=O 1873390523 QBAZDQSREUCTBL-UHFFFAOYSA-N 431.319 5.079 30 10 IKEE C=CCOc1ccccc1OCc1nc2ccccc2n1CC(=O)Nc1ccc(C)c(C)c1 1873519161 FITZMWIJAMTLKE-UHFFFAOYSA-N 441.531 5.436 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccccc1C(C)C)n2C 1873629146 OCEMMMGCOISAQT-UHFFFAOYSA-N 449.643 6.897 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc2c(=O)n(-c3ccccc3OC)cnc2c1 1873936658 MJIMXYMPICGBKE-UHFFFAOYSA-N 435.568 5.265 30 10 IKEE CCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1/N=C/c1cccc(C)c1 1874194582 WZGXSPWQUUVMFQ-MFKUBSTISA-N 438.597 5.466 30 10 IKEE CSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1ccc(Cl)cc1 1874201631 LRIWPHYMORNEIC-ZMOGYAJESA-N 428.989 5.721 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccc(Cl)cc1 1874214232 BTRKLMKCAYPZRJ-BUVRLJJBSA-N 447.391 5.757 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OC)c(OC)c2)n1/N=C/c1cccc(Cl)c1 1874237706 QTNVYYWWUBWJFW-ZMOGYAJESA-N 442.972 5.090 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1ccc(CC)cc1 1874258348 WLXFPPFTTBLEKP-WGOQTCKBSA-N 434.609 5.922 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccc(Cl)cc3)n2/N=C/c2cccnc2)c1 1874263817 RRSJDSIJXSHGNN-VULFUBBASA-N 449.967 5.388 30 10 IKEE C=CCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccccc1OCCC 1874279822 SOZYFVJRLSJVAP-KOEQRZSOSA-N 441.000 5.666 30 10 IKEE Cc1ccc(CSc2nnc(CCCOc3ccccc3)n2/N=C/c2ccccn2)cc1 1874315102 BERGFIPEXMMSOJ-OVVQPSECSA-N 443.576 5.168 30 10 IKEE Cc1ccsc1/C=N/n1c(COCc2ccccc2)nnc1SCCc1ccccc1 1874355107 CBFLZJNWIRPSTG-PCLIKHOPSA-N 448.617 5.582 30 10 IKEE COc1cccc(/C=N/n2c(Cc3ccc(C)cc3)nnc2SCc2ccccc2C)c1 1874387497 QDZJOVHBJAUSKI-WPWMEQJKSA-N 442.588 5.669 30 10 IKEE CCSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874397141 RQOCOACTCZQQIT-FGAYPWGZSA-N 442.588 6.003 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2cc(C)ccc2C)nnc1-c1cccs1 1874422553 SGPSGEIVBCATNH-ZVHZXABRSA-N 434.590 5.807 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccccc2)cc1 1874438844 WROMHXJUXOFTSG-NLRVBDNBSA-N 435.641 5.887 30 10 IKEE C=C(C)CSc1nnc([C@H]2CCCO2)n1/N=C/c1ccc(OCc2ccc(C)cc2)cc1 1874445783 KPCCQTBPBXCPDT-OJLHXUGZSA-N 448.592 5.567 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2C2CCCC2)cc1 1874451676 KXPFHKDZFGWQIA-OVVQPSECSA-N 448.636 6.598 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1cccc(OC)c1OC 1874479712 NKSJFLQFFHZHHO-ZVHZXABRSA-N 444.988 5.466 30 10 IKEE C=CCSc1nnc(C(C)(C)C)n1/N=C/c1ccc(OCc2ccccc2)c(OC)c1 1874484990 YKHNTUNRGOTRNS-PCLIKHOPSA-N 436.581 5.324 30 10 IKEE C=CCSc1nnc(C(C)(C)C)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874485019 ZWKRYTQGEVXTLO-MFKUBSTISA-N 441.000 5.968 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(CC(C)C)nnc1SCCc1ccccc1 1874490588 YTZZNYFJSLMAJR-OVVQPSECSA-N 444.604 5.855 30 10 IKEE CCc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2ccc(Cl)c(Cl)c2)cc1 1874492666 YKLKRIYJHZCUHU-DHRITJCHSA-N 447.435 6.520 30 10 IKEE CC(C)(C)c1ccc(/C=N/n2c(S)nnc2COc2cc(Cl)ccc2Cl)cc1 1874569963 JUAWBYOKNICBGV-FOKLQQMPSA-N 435.380 5.632 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)cc1 1874578162 ZKCFHYZMCADBNW-WUKNDPDISA-N 442.942 7.367 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1 1874583538 SDBSMKSPIUKSJK-WUKNDPDISA-N 440.970 8.092 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)c1C 1874586838 HHWKEXNGQPHZHH-YRNVUSSQSA-N 449.934 6.957 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)c(Br)c1OCCCO 1874600422 LPZSSUQVPVEVQL-SOFGYWHQSA-N 433.342 5.040 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2)c(Cl)c1)c1cccc(Br)c1 1874609927 RQXZEHGUXNRZJS-PKNBQFBNSA-N 427.725 6.578 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OCc1c(F)cccc1Cl 1874619877 XDMBNDFEKKOLHA-CSKARUKUSA-N 440.898 6.280 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OCc1cccc(Cl)c1 1874624089 LKGOQVWTKBOASY-RIYZIHGNSA-N 434.963 7.337 30 10 IKEE COc1cccc(C(=O)/C=C/c2cccc(OC(=O)COc3c(C)ccc(C)c3C)c2)c1 1874695217 PSTIICTYGKJUDW-BUHFOSPRSA-N 430.500 5.501 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3cc(C)c(Cl)c(C)c3)c2)cc1 1874701694 GNYNNGQESVRQMH-FMIVXFBMSA-N 434.919 6.146 30 10 IKEE CCc1ccccc1OCC(=O)Oc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC 1874702694 FJNZWMOMZKOQTG-RVDMUPIBSA-N 430.500 5.447 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1OC(=O)c1ccc(C)cc1 1874706183 UMGAWLRCQQAKGT-LZYBPNLTSA-N 428.528 6.416 30 10 IKEE COc1cc(C(=O)/C=C/c2ccc(OC)c(OC(=O)CC(C)C)c2)c(OC)cc1Cl 1874711494 CEYFEOLAYQSSLD-SOFGYWHQSA-N 432.900 5.213 30 10 IKEE CCc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3cc(C(C)(C)C)ccc3C)c2)cc1 1874716025 XRTJSLNWIRKNOK-GHRIWEEISA-N 426.556 6.970 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1Cl 1875096227 CLAFKSRRQKWLQO-GXDHUFHOSA-N 432.947 7.265 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3cccc(OC)c3)cc2Cl)cc1 1875102483 JTZSASHMCRHUML-XYOKQWHBSA-N 436.891 5.401 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3Cl)cc2Cl)c1 1875113743 VXMHAKJKXGUBQI-ZRDIBKRKSA-N 441.310 6.507 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)c1ccc(F)cc1 1875120472 VMYQDDPDHOTIFX-XNWCZRBMSA-N 446.808 5.881 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(-c3ccccc3)cc2)cc1)c1ccc(Cl)cc1 1875122717 JCYQWBFHBNHBNQ-UFWORHAWSA-N 438.910 7.122 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(Br)cc3)cc2)c(C)c1 1875131292 PVDQPIACYQKMCA-RIYZIHGNSA-N 449.344 6.110 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)Cc1ccccc1 1875136206 CQCDQAZJMHMFMD-DTQAZKPQSA-N 426.512 5.776 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccn2)c(Br)c1)c1ccc(F)cc1 1875158309 PKIGIECJWZMTKZ-ONNFQVAWSA-N 426.241 5.099 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 1875159289 LTSRLURJVPQRQD-WTDSWWLTSA-N 445.273 6.256 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccco2)c(Br)c1)c1ccc(F)c(F)c1 1875162524 MIAVEAMLZCSHQI-XVNBXDOJSA-N 433.204 5.436 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc(Br)c1OC(C)=O 1875171239 MSXGVWDMULWVAB-BQYQJAHWSA-N 447.325 5.295 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2)c1 1875176150 YIXMMFAMZJZEBM-MDWZMJQESA-N 430.500 5.365 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3F)cc2)c(OCC)c1 1875177573 DAZNCRYMVXGFGH-LFIBNONCSA-N 434.463 5.738 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)c3ccccc3)c(Cl)c2)c(C)c1 1875183391 YIXYQSXVIHOOSU-XETPZZHUSA-N 432.947 6.870 30 10 IKEE CC1(C)OB(CCCOCc2cc(Br)cc(Br)c2)OC1(C)C 1900371513 AGELQWDEQWOCQS-UHFFFAOYSA-N 433.977 5.211 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1cc(F)cc(NC(=O)OC(C)(C)C)c1 1922073936 IXLDJBNVLCTWPN-HSZRJFAPSA-N 428.548 5.986 30 10 IKEE C=CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1c(Br)cccc1Br 1931397087 AOQNPTQJGJNUNI-ZDUSSCGKSA-N 430.140 5.199 30 10 IKEE CN[C@@H](CC#CC1CCCCC1)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1947480898 ITRGRUKFXHDJPD-BJKOFHAPSA-N 428.617 5.048 30 10 IKEE C#CCCN(C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)CC)C(C)C 1984779834 YMERAEUKOCRSJM-FQRUVTKNSA-N 446.591 5.200 30 10 IKEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 1999931179 MOHZKDJWHNNAQA-UUOWRZLLSA-N 429.561 5.357 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)CCCN(C)C(=O)OC(C)(C)C)cc1 2002712079 UKZTVTYSRUZJRG-XMMPIXPASA-N 431.577 5.666 30 10 IKEE CCC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1OC 2033623463 LFDWKWDLQZOLAK-HKUYNNGSSA-N 447.576 5.270 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@]1(C#N)CCC(F)(F)C[C@H]1OCc1ccccc1 2043782136 NGSYCGINVWGJAD-ZJSXRUAMSA-N 448.554 6.223 30 10 IKEE C=C(c1ccccc1)[C@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 2076576035 FURIXYGDFYRVPH-DQEYMECFSA-N 438.612 5.568 30 10 IKEE Cc1nn([C@@H](c2ccc(C(C)C)cc2)C(C)(C)C)c(I)c1C=NO 2079884089 IAQBYQVTDURBQK-KRWDZBQOSA-N 439.341 5.363 30 10 IKEE N#Cc1c(C2CC2)nn([C@@H](c2ccc(C3CCC3)cc2)C2CC2)c1I 2079945673 KJYJUYURNLHLFQ-FQEVSTJZSA-N 443.332 5.504 30 10 IKEE C=CCCCCCC[C@@H](N)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2085839309 MTYZIDWDENQHAK-HHHXNRCGSA-N 429.604 7.371 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2cc(Cl)cc(Br)c2)cc1 2088227280 HIPRYFRNXXKNNQ-SFHVURJKSA-N 435.749 6.417 30 10 IKEE N#Cc1ccc(NC[C@@]23CC[C@H]2CCCN3Cc2ccccc2)c(F)c1Br 2145616990 MOZXBODUKUFREU-GCJKJVERSA-N 428.349 5.317 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2cc(Br)ccc2C)cc1 2154799089 LWMXGXRBKBTEGV-IBGZPJMESA-N 431.330 5.773 30 10 IKEE COc1ccc(Nc2ccc(C#N)c(Br)c2F)cc1NC(=O)OC(C)(C)C 2162350921 UACWNYJMJJZBGK-UHFFFAOYSA-N 436.281 5.559 30 10 IKEE CC(C)(C)OC(=O)N1CCc2ccc(Nc3ccc(Br)cc3C#N)cc2C1 2162416410 XKPPKKXQPILASU-UHFFFAOYSA-N 428.330 5.358 30 10 IKEE CC(C)(C)OC(=O)NCCC[C@@H]1CCCCN1c1cc(Br)c(C#N)cc1F 2174807582 DGPQIDFOPWRFIU-HNNXBMFYSA-N 440.357 5.124 30 10 IKEE CCCN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cc(Br)cc(C#N)c1 2174815847 XTUOTAUYJXOMSI-MRXNPFEDSA-N 436.394 5.184 30 10 IKEE COc1cccc(C#C[C@@H](N)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)c1 2237743735 DYCBDANXEDVTNP-MUUNZHRXSA-N 449.550 5.905 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1c(F)ccc(Br)c1F 2239731846 LCZKNPJXDDRARR-MRXNPFEDSA-N 437.284 6.042 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)C[C@H]2CCC[C@@H]21 2250797866 YASUXWHXMPNMKS-KSZLKVKMSA-N 428.617 5.211 30 10 IKEE CC1(C)OB(c2cccc(Oc3ccc(Cl)c(Cl)c3Br)n2)OC1(C)C 2266711058 ROHHPWSXGMKQJY-UHFFFAOYSA-N 444.949 5.242 30 10 IKEE CC(C)CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)c1c(Br)cccc1C#N 2285220546 KSTMDTVVDMZOJH-QGZVFWFLSA-N 436.394 5.183 30 10 IKEE C=C(C)CCCC[C@@H](OCC(=O)O)c1scc(Br)c1Br 2292714432 GFKPBZIZWARYNN-LLVKDONJSA-N 426.170 5.552 30 10 IKEE Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(Cl)cc2)cc1 2296235677 SIZHNAVGSGBRMV-NRFANRHFSA-N 448.862 5.183 30 10 IKEE Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C=NNC(=S)Nc2cccc(F)c2)cc1 2296404936 DGWHSZXQZDKJLE-UHFFFAOYSA-N 447.514 5.446 30 10 IKEE CCCOc1ccc(C(=O)C(=Cc2ccc(C(C)(C)C)cc2)c2nc3ccccc3o2)cc1 2296729458 MLVZRIFGYOXTAR-UHFFFAOYSA-N 439.555 7.338 30 10 IKEE CCc1ccccc1N=C1SC(=Cc2ccc(O)c(O)c2)C(=O)N1c1ccccc1CC 2296977099 FAEGEQUQYWQHDI-UHFFFAOYSA-N 444.556 6.031 30 10 IKEE CCOc1cc(C=C2N=C(SCc3ccccc3)SC2=O)cc(Cl)c1OC(C)=O 2297620023 BJMVLERFDMGDIL-UHFFFAOYSA-N 447.965 5.568 30 10 IKEE COc1ccccc1[C@H]1C(=C(O)c2ccc(Cl)cc2)C(=O)C(=O)N1c1ccc(F)cc1 2297746825 HIBCPDDLSNBMJZ-NRFANRHFSA-N 437.854 5.114 30 10 IKEE O=C(C=Cc1ccc(-c2cccc(Cl)c2)o1)c1ccc(NC(=O)c2ccccc2)cc1 2314457026 SGDKTSUZZQEWID-UHFFFAOYSA-N 427.887 6.748 30 10 IKEE Cc1occc1C(=O)Nc1ccc(C(=O)C=Cc2ccc(-c3ccc(Cl)cc3)o2)cc1 2314523509 XIMRKYCPASMZFT-UHFFFAOYSA-N 431.875 6.650 30 10 IKEE CC(C=NN=C1SC(=Cc2cccs2)C(=O)N1Cc1ccco1)=Cc1ccccc1 2314840921 IVZXFHNYNAOJMB-UHFFFAOYSA-N 433.558 5.903 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(OCc3ccc(Br)cc3)c2C)C1=O 2321844677 WIKIPEAKSRPMCT-UHFFFAOYSA-N 441.346 6.323 30 10 IKEE C[C@H](c1ccccc1)c1nnc(S)n1N=Cc1ccc(OCc2ccccc2F)cc1 2321962068 GIRCEIPEOVLJFI-QGZVFWFLSA-N 432.524 5.319 30 10 IKEE CCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccccc1Br)C3=O 2322040199 JNBNICHCTQRAHH-UHFFFAOYSA-N 428.326 5.326 30 10 IKEE CCOCCCN1COc2ccc3c(c2C1)OC(=Cc1ccc(Cl)c(Cl)c1)C3=O 2322145627 HBEQHCROXXLFDL-UHFFFAOYSA-N 434.319 5.188 30 10 IKEE C[C@H]1CCCC[C@H]1N1COc2ccc3c(c2C1)OC(=Cc1cn(C)c2ccccc12)C3=O 2322146171 OLOSKOBDZHUJAJ-HTAPYJJXSA-N 428.532 5.525 30 10 IKEE CCCOc1ccc(C=Nn2c(S)nnc2COc2ccc(Cl)cc2Cl)cc1 2322260143 HDIYUVBOFLTMHF-UHFFFAOYSA-N 437.352 5.124 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2nc(O)c3ccccc3n2)cc1 2322359567 COFPTSVPHMHVHA-UHFFFAOYSA-N 444.918 6.026 30 10 IKEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1ccc(Cl)cc1)NCc1ccccc1 2322532094 FXPKAUSEAKOTRH-UHFFFAOYSA-N 440.326 5.585 30 10 IKEE Cc1cccc(COc2ccc3ccccc3c2C=CC(=O)c2ccc(Cl)c(Cl)c2)c1 2322583003 GUZLVTUIENOVTL-UHFFFAOYSA-N 447.361 7.930 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(Cl)cc1C=CC(=O)c1cccc2ccccc12 2322724653 HEFWYDDILMGCRC-UHFFFAOYSA-N 449.978 6.417 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccc(C)cc2)c(C)c1C 2322815582 UBINJPFBJPBQCF-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE O=C(Cc1ccc(Cl)cc1)Oc1ccc2c(c1)OC(=Cc1ccccc1Cl)C2=O 2322890062 TZEWXHYGTHSJLB-UHFFFAOYSA-N 425.267 5.758 30 10 IKEE COc1cc(C=NNC(=S)Nc2ccccc2)ccc1OCc1ccc(C(C)(C)C)cc1 2323047464 UYOPEIDZEDODFI-UHFFFAOYSA-N 447.604 5.892 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc(OC(=O)c3ccc(F)c(F)c3F)c2C)C1=O 2323126946 CXDZCMJQHDZLIA-UHFFFAOYSA-N 440.373 5.256 30 10 IKEE COc1cc(C(=O)C=Cc2cccc(OCc3ccc(F)cc3)c2)c(OC)cc1Cl 2323273883 OHCUOFUGEQIPCL-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc(C)c2C1=O 2323283534 DCBUKBQQZKJBEA-UHFFFAOYSA-N 449.846 5.700 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1cccc(OCc2ccc(Cl)cc2)c1 2323300069 VHAGAHWBESRKOU-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OC(=O)C=Cc4ccc([N+](=O)[O-])cc4)c3C)C2=O)c1 2323601950 MLSUQVTWHQJUSJ-UHFFFAOYSA-N 441.439 5.447 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OCC(=O)Nc2cc(C)ccc2C)c(Cl)c1 2323701692 JTSUTULQMSNEAD-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OCC(=O)Nc1ccc(F)cc1 2323743220 DZZCFCDYRAWYOI-UHFFFAOYSA-N 441.405 5.026 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OC(=O)c3ccc(OC(C)C)cc3)c2C)C1=O 2323813787 BAMWWSNMQLCGDX-UHFFFAOYSA-N 428.484 5.926 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OCC(=O)N(CCC)CCC 2323815931 CQIFBGMKPULJCB-UHFFFAOYSA-N 435.564 5.347 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OCC(=O)Nc1ccccc1 2324009855 JXAKPWWWNPSYHF-UHFFFAOYSA-N 445.515 5.316 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OCC(=O)OCC(C)C 2324140851 ABTNRHYGEBCXCB-UHFFFAOYSA-N 432.516 5.713 30 10 IKEE O=C1C(=Cc2ccc(Br)cc2)Oc2cc(OCCOc3ccccc3)ccc21 2324220139 PVVNQWUXLMVXLU-UHFFFAOYSA-N 437.289 5.523 30 10 IKEE Cc1cc(OCCCCOc2ccccc2)cc2c1C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)O2 2324583836 DJMSPNHWFBPRPW-UHFFFAOYSA-N 445.471 5.757 30 10 IKEE Cc1cc(OCCCCOc2ccccc2)cc2c1C(=O)C(=Cc1ccc3c(c1)OCO3)O2 2324585038 PKRZGFUYVPVWSO-UHFFFAOYSA-N 444.483 5.578 30 10 IKEE COc1ccccc1C=C1Oc2cc(OCc3ccc(C(=O)OC(C)C)cc3)ccc2C1=O 2324603036 YVGLUGBPJGYCGS-UHFFFAOYSA-N 444.483 5.456 30 10 IKEE CC(C)c1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(Cl)c(Cl)c3)n2)cc1 2324647850 UYOZEGBMPPDWHU-SFHVURJKSA-N 441.383 7.130 30 10 IKEE CCCCCCCOc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccco3)n2)cc1 2324665833 JBHHMXAIMRSJIO-JOCHJYFZSA-N 434.561 6.642 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3cccc(C)c3)c(Cl)c2)c2ccccc12 2324676992 CPUKPDYXHNVUJI-UHFFFAOYSA-N 442.942 7.285 30 10 IKEE COc1c(Cl)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)C=Cc2ccc(F)cc2)n1 2324714184 AOIYGGKXMDXCJH-MRXNPFEDSA-N 447.318 6.154 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccccc1C)C2=O 2325007759 ROGKRKPABPJIMC-UHFFFAOYSA-N 441.527 5.808 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(C(F)(F)F)cc2)ccc2c1OC(=Cc1ccco1)C2=O 2325540997 DCLQSAFEFDMFKN-UHFFFAOYSA-N 443.377 5.241 30 10 IKEE COc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(Cl)cc3Cl)c2)cc1 2325709084 VJYAFEJECZBNAS-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE CCCCc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccccc2C)C3=O)cc1 2325719713 XIPHGRUTSGUBHG-UHFFFAOYSA-N 441.527 5.971 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccccc2-c2ccccc2)c1)c1cccc(Cl)c1 2325728708 QQDNNMBUVSRUDD-UHFFFAOYSA-N 438.910 7.122 30 10 IKEE Cc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3cccc4ccccc34)c2)cc1C 2325749874 ABNGUNQNASDFIA-UHFFFAOYSA-N 436.507 6.337 30 10 IKEE CCCCC1CCC(C(=O)Oc2cccc(C=CC(=O)c3c(C)cc(C)cc3C)c2)CC1 2325764769 JJUWTTFWYVVAFA-UHFFFAOYSA-N 432.604 7.410 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1N=Cc1ccccc1C(F)(F)F 2326272601 UJCBHFXALKDANM-UHFFFAOYSA-N 436.478 5.953 30 10 IKEE CCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1cc(Cl)ccc1O 2326589467 CVSZONOTZUCRKV-UHFFFAOYSA-N 436.968 5.570 30 10 IKEE COc1ccccc1CCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccccc1 2328681674 WLZKYACTXLXDGY-UHFFFAOYSA-N 446.551 5.386 30 10 IKEE C=CCSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1ccc(Cl)c(Cl)c1 2328961711 UERXILRFVXREEF-UHFFFAOYSA-N 445.419 6.147 30 10 IKEE CCc1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCc2cccc(F)c2)cc1 2329820008 WFJIKHPFQBDYSC-UHFFFAOYSA-N 448.542 5.884 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2N=Cc2sccc2C)cc1 2329943650 PFQIXQIQAKZYLX-UHFFFAOYSA-N 436.581 5.861 30 10 IKEE CCSc1nnc(Cc2cccs2)n1N=Cc1cccc(OCc2ccccc2)c1 2330367015 KVBIURSILMQTJO-UHFFFAOYSA-N 434.590 5.504 30 10 IKEE Cc1ccc(C=Nn2c(SCC(=O)Nc3ccccc3C)nnc2-c2cccs2)cc1 2330557608 ZENFCNBVRDKMRD-UHFFFAOYSA-N 447.589 5.236 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(-n3cccc3)cc2)cc1)c1ccc2ccccc2c1 2330653799 JYFAYBJZMMFWCA-UHFFFAOYSA-N 443.502 6.746 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1ccc(C)c(C)c1 2330705238 JIYATWBIMFTUFL-UHFFFAOYSA-N 440.539 6.306 30 10 IKEE Fc1ccccc1C=Nn1c(SCc2c(F)cccc2Cl)nnc1-c1ccccc1 2330707407 MTXVTVDEHJDMCH-UHFFFAOYSA-N 440.906 6.051 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)(C)C)n2N=Cc2cccc(Cl)c2)c1 2330849478 URTPBPVHEPQFBJ-UHFFFAOYSA-N 427.017 6.311 30 10 IKEE CCOc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccccc2Cl)cc1 2330849491 WYWXUMWTZBSWRN-UHFFFAOYSA-N 443.016 6.093 30 10 IKEE CCCCC(=O)Oc1c(OCC)cc(C=CC(=O)c2ccccc2Cl)cc1[N+](=O)[O-] 2330938746 RYWQWECIFOKZKH-UHFFFAOYSA-N 431.872 5.639 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CC)c(Cl)c2)cc1OCCC 2331109639 JGELMTSGWKHQRV-UHFFFAOYSA-N 430.928 6.129 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OC(=O)Cc1cccs1 2331130020 CXROUJAFOCSGPQ-UHFFFAOYSA-N 426.921 5.844 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc([N+](=O)[O-])c1OC(=O)c1cccc(C)c1 2331174440 OORPAHCKJWGODT-UHFFFAOYSA-N 431.444 5.417 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)c1ccc(-c2ccccc2)cc1 2331183644 SVSNPUJZMHAMCU-UHFFFAOYSA-N 434.491 6.478 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2cccc(F)c2)nnc1-c1ccco1 2331187678 OGZIPWYAMOIYPP-UHFFFAOYSA-N 434.496 5.417 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(OC)c3)c(OCC)c2)cc1 2331206871 YCCYNZMFWPUCES-UHFFFAOYSA-N 446.499 5.608 30 10 IKEE Fc1ccccc1CSc1nnc(-c2ccco2)n1N=Cc1cccc2ccccc12 2331208482 UVWPYMPKCCZDCN-UHFFFAOYSA-N 428.492 6.005 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC(=O)CC(C)C 2331248923 FOBBDCBQBRXSHY-UHFFFAOYSA-N 447.358 6.578 30 10 IKEE COc1ccccc1C(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(F)cc2)cc1OC 2331512185 MLCIOVWFUBOWNN-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE Cc1cccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C2CCC2)c1 2331533300 GGDCPHRDAFKVCX-UHFFFAOYSA-N 431.392 6.335 30 10 IKEE COCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(C(C)C)cc1 2331611873 SFPMGZVVOWBCPG-UHFFFAOYSA-N 449.407 6.029 30 10 IKEE C=CCN(CC[C@H](O)c1c(C)c(C)c(Br)c(C)c1C)C(=O)OC(C)(C)C 2347980802 MQFRFDMMAWBGOI-KRWDZBQOSA-N 426.395 5.529 30 10 IKEE CC1(C)OB(/C=C/c2ccc(N[C@H]3CCCCCN(Cc4ccccc4)C3)nc2)OC1(C)C 2365055551 QFPOMUMMQYJMFM-JOPBRCQMSA-N 447.432 5.583 30 10 IKEE N#C[C@]1(Cc2ccc(I)c(Br)c2)CCCCC12CCC2 2377408325 STPFKLLCIVPAQS-QGZVFWFLSA-N 444.154 5.850 30 10 IKEE COc1cc([N+](=O)[O-])cc(/C=N/c2cccc(C(=O)Nc3cccc4ccccc34)c2)c1O 1959031 IENSIEMRKBZNOK-CVKSISIWSA-N 441.443 5.465 30 10 IKEE 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)C[C@@H](O)C[C@@H]1O 4791507 ODZFJAXAEXQSKL-WRJREGAQSA-N 428.657 5.727 30 10 IKEE investigational CCOc1cccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(Cl)c(Cl)c2)C3)c1 21223297 XFPRGJWLDCEMJE-WBVHZDCISA-N 430.331 5.396 30 10 IKEE CCOc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2OC)C3)c1 21227084 PUTVSNDZGHFSFM-VKGTZQKMSA-N 440.543 6.073 30 10 IKEE COc1cccc(/C=C2\S/C(=N/c3cccc(C)n3)N(c3ccccc3)C2=O)c1OC 39863515 BNEHAQLJUYUNPH-UVFCNREVSA-N 431.517 5.216 30 10 IKEE Cc1c(/N=N/c2ccccc2C(=O)c2ccccc2)c(O)n(Cc2ccccc2)c(=O)c1C#N 39871587 IGYNBEPVFAFONY-QVIHXGFCSA-N 448.482 5.429 30 10 IKEE C=C(Br)Cn1c(CCCCCNC(=O)Cc2ccccc2)nc2ccccc21 40220635 UPIAXEWOELOUBZ-UHFFFAOYSA-N 440.385 5.017 30 10 IKEE Cc1cc(OC(=O)c2cc3ccccc3o2)cc2c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O2 41352557 FLQLAJDIGXCGEG-CFRMEGHHSA-N 438.479 6.700 30 10 IKEE C#CCOc1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(OC)cc4)csc32)cc1OCC 46076273 BXYFSIPWMQVGEK-IBGZPJMESA-N 433.529 5.309 30 10 IKEE C[C@@H](N/C(=N\OC(=O)Nc1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccccc1 59505471 BYPPIKLWINPRGT-OAHLLOKOSA-N 428.319 6.255 30 10 IKEE CCCc1nc2scc(-c3ccc(C(C)C)cc3)c2c(=O)n1Cc1cccc(C#N)c1 96530728 XXGIZFUWLSHFEE-UHFFFAOYSA-N 427.573 6.121 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)c1cccc(OCCOCC)c1 100247811 RNPJPIZSZOKUQC-UHFFFAOYSA-N 433.677 7.313 30 10 IKEE CCCCOc1ccc(Br)cc1C(=O)N(CCC#N)CCc1ccccc1 100438070 FZGBXWSNFGRDKH-UHFFFAOYSA-N 429.358 5.227 30 10 IKEE O=C1/C(=C/C=C/c2ccccc2[N+](=O)[O-])S/C(=N/c2ccccn2)N1c1ccccc1 101124532 QDXGURQBQTVSMR-IVBWMXLOSA-N 428.473 5.355 30 10 IKEE C=C1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2[C@H]1C 101706128 XWMMEBCFHUKHEX-FTPWLFHRSA-N 426.729 8.025 30 10 IKEE CCCCCCCCCCCCC(=O)c1cc(Br)c(Br)s1 165107716 YXASNPDDCWAZMI-UHFFFAOYSA-N 438.269 7.767 30 10 IKEE CCOc1cc(OCC)c([N+](=O)[O-])cc1/C=N\Nc1nc(-c2ccc(Cl)cc2)cs1 169940332 KGZKDYSCTLBDQL-JJFYIABZSA-N 446.916 5.615 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3ccc(C)cc3)cs2)cc(Br)c1O 169942331 PLFFMOSUMDZQGJ-FBHDLOMBSA-N 432.343 5.431 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cccc3ccccc23)[C@H]1c1cccs1 169985997 KBJLCZGIKCILBW-QHCPKHFHSA-N 441.508 5.693 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cccc3ccccc23)[C@@H]1c1ccccn1 169995722 OMMJVYOXEIBQSP-XMMPIXPASA-N 436.467 5.026 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(OC)cc3)[C@H]2c2ccccc2)cc1 170054394 XAGDOFCYSUZDFW-DEOSSOPVSA-N 427.500 5.036 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1c[nH]c2ccccc12)c1ccc(Cl)cc1 170078350 WZCJSEUERMCDEX-QFIPXVFZSA-N 434.923 5.732 30 10 IKEE Cn1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2)c2ccccc21 170084015 RLLKQAIVZFMBOZ-QHCPKHFHSA-N 442.902 5.615 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccccc2C)c1 170086675 JNDBAMTVSQYIAJ-RUZDIDTESA-N 441.527 5.793 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]2c2ccco2)ccc1F 170093938 SJPHWUOVKFLIJI-LJQANCHMSA-N 445.368 5.529 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2sccc2C)c1 170105067 DVXGMIDYJBEBGI-LJQANCHMSA-N 439.920 5.501 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1cccc(C)c1 170141025 RAUYVIOSRYOSBN-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)cc(Cl)c2OC)[C@H]1c1cccc(C)c1 170147042 YVRCUMIKMUBRCJ-GOSISDBHSA-N 434.319 5.299 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccs2)cc1Cl 170154259 BQDULNLYUXLFTH-SFHVURJKSA-N 445.949 5.250 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)c(Cl)c2)[C@H]1c1cccnc1 170195975 TUKGQOYWUBSZGP-GOSISDBHSA-N 449.334 5.166 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccccc2)cc1 170224892 UYROVHTYOGAABY-RUZDIDTESA-N 435.479 5.631 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccccc2)cc1 170230069 WGXJVTUVXWWHKU-LADGPHEKSA-N 449.547 5.013 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(F)cc2)cc1C 170242452 QBRDCDGQNYJRHQ-QHCPKHFHSA-N 437.511 5.362 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccc(O)c2)ccc1Cl 170259402 CWCYMWBWFHGEJG-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@H]1c1ccco1 170285477 JFZATGCNEZLIRU-NRFANRHFSA-N 437.879 5.341 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccco2)c1 170286999 KTRJTPJRFHOGCX-IBGZPJMESA-N 444.270 5.378 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccco1 170288649 DCXOFKFTWMOSRL-IBGZPJMESA-N 428.271 5.678 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccco1 170294986 KFWSATGGMXSYTN-QFIPXVFZSA-N 425.525 5.391 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2c2ccccc2)o1 170302842 YNPZHLHZFHUCKB-QHCPKHFHSA-N 431.488 5.406 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C)o2)c1 170306939 AXTXURJPMGQGAO-HXUWFJFHSA-N 441.867 5.012 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2Cc2ccccn2)o1 170307386 PNFJZHUGJDLEIX-HSZRJFAPSA-N 444.531 5.367 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2sccc2C)cc1 170314620 BJNQHXBNFUZJQO-OAQYLSRUSA-N 449.528 5.334 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)cc(OC)c3o2)[C@H]1c1sccc1C 170319158 IAJSURIOKNGNSA-KRWDZBQOSA-N 445.924 5.453 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1cc(Cl)cc(Cl)c1 170397837 OIHNBLRMYICEBF-NRFANRHFSA-N 438.310 6.085 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cc(C)cc(C)c2)ccc1OC 170439560 AOGVORKJHMSFFI-JOCHJYFZSA-N 437.536 5.226 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1cccc(Oc2ccccc2)c1 170455798 FLYPLTOEKSPTEZ-HSZRJFAPSA-N 445.490 6.133 30 10 IKEE CC(C)COc1cccc(C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c1 170493998 XSUQCUQKAKBPJY-UHFFFAOYSA-N 436.511 6.772 30 10 IKEE CC(=NNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)c1ccc(Cl)cc1 252604108 FWOUWKBCWFJYME-UHFFFAOYSA-N 429.915 5.848 30 10 IKEE Cc1ccc2c(c1)C(=NNc1ncnc3sc4c(c13)CCCC4)C[C@H](c1ccccc1)O2 254506354 XTDFSYOBMUEUFA-JOCHJYFZSA-N 440.572 6.219 30 10 IKEE O=C1C(=NNc2cccc([N+](=O)[O-])c2)Sc2nc(-c3ccccc3)c(-c3ccccc3)n21 254760201 VGHHOQNJJSIINS-UHFFFAOYSA-N 441.472 5.297 30 10 IKEE CC1(C)OB(c2cc(COc3cccc(OCc4ccccc4)c3)ccc2F)OC1(C)C 399142526 BZROMHDQGPTAQM-UHFFFAOYSA-N 434.316 5.283 30 10 IKEE CCOc1ccc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1OC 526487874 ATXUWFDOBMYPLH-QFIPXVFZSA-N 432.501 5.084 30 10 IKEE Cc1ccsc1[C@H]1C(c2ccc(Cl)c(Cl)c2)=C(O)C(=O)N1c1ccccc1C#N 526607498 RFQNJZYPHPJOIM-LJQANCHMSA-N 441.339 6.292 30 10 IKEE Cc1nnc(SCc2ccccc2F)n1/N=C\c1ccc(OC(=O)c2ccccc2)cc1 526802284 FIKFZXRROJNKSS-YSMPRRRNSA-N 446.507 5.119 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccc(Cl)cc2)c1 526809213 XWQFYHUYKSDIEZ-PKAZHMFMSA-N 447.007 6.200 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1cccc(OCC(C)C)c1 526811349 IHZHVNMXBUOBBK-YSMPRRRNSA-N 436.625 6.057 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1ccc(O)c(O)c1 526814167 AUYCZXNYANELLY-YVNNLAQVSA-N 437.352 5.123 30 10 IKEE CCOc1ccc([C@@H](O)C[C@@H]2SC(=Nc3ccc(-c4ccccc4)cc3)NC2=O)cc1 606655834 AXFLRPHEHXUIOZ-GOTSBHOMSA-N 432.545 5.095 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)C(C)(C)C2)cc1 698895941 VJAQVTQIRJOGHG-VWLOTQADSA-N 443.588 5.808 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@@H](C#N)c1cscc1Br 698898726 BCESEXHPSOORBC-HNNXBMFYSA-N 427.751 6.170 30 10 IKEE CC[C@@](C#N)(C1CN(C(=O)OC(C)(C)C)C1)N(C(=O)OC(C)(C)C)c1cccc(F)c1 716139865 YKAFAUACQVVFCI-HSZRJFAPSA-N 433.524 5.106 30 10 IKEE C=CCC1([C@@H](NC)c2ccc(Br)c(Cl)c2F)CN(C(=O)OC(C)(C)C)C1 722921121 SRTYBYJLLJTTLB-INIZCTEOSA-N 447.776 5.315 30 10 IKEE ON=C(C(=NN=C(C(=NO)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 725385438 HYRFZPMJBRICST-UHFFFAOYSA-N 446.510 5.637 30 10 IKEE CCn1ncc(C=NNc2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)(F)F)n2)c1F 1081014547 YWFHXNJTQXHMEP-UHFFFAOYSA-N 447.223 5.271 30 10 IKEE Cc1ccc(S(=O)(=O)Oc2ccccc2C=NNc2cc(Cl)ccc2Cl)cc1 1083911904 ZSWWNHNLHMHTCX-UHFFFAOYSA-N 435.332 5.516 30 10 IKEE COc1cc(Br)cc(C=Nc2cc(C(F)(F)F)ccc2N2CCCC2)c1O 1084274780 LBEOHUZLADWFMD-UHFFFAOYSA-N 443.263 5.533 30 10 IKEE C[C@@H]1CC(=Nc2cc(Cl)cc(Cl)c2)c2cc(F)ccc2N1C(=O)c1ccc(F)cc1 1088670901 KVCAMCZBMKRDEI-CYBMUJFWSA-N 445.296 6.831 30 10 IKEE Cc1ccc(S(=O)(=O)n2cc(C[C@H]3CCCC[C@@H]3CCC=O)c3cc(F)ccc32)cc1 1616049080 RIYPEZISYYVQNV-WOJBJXKFSA-N 441.568 5.654 30 10 IKEE C/C(=C1/SC(=Nc2cccc(C(=O)O)c2)N(C2CCCCC2)C1=O)c1ccc(C)c(C)c1 1772738777 XSWFBCUUSNIRIG-HMVJOEOJSA-N 448.588 6.328 30 10 IKEE COc1ccccc1/C=C1\SC(=NN=C/C=C/c2ccccc2)N(Cc2ccco2)C1=O 1772759560 UVUWVKGQHWAVAS-VEWKDWTDSA-N 443.528 5.460 30 10 IKEE Fc1cccc(NC(=S)N/N=C\c2cn(-c3ccccc3Cl)nc2-c2ccccc2)c1 1857811438 UXLKZXUZSZXCAT-WGARJPEWSA-N 449.942 5.652 30 10 IKEE C=CCN(CC=C)C(=O)Oc1cccc2c(NC(=O)c3ccc(C(C)(C)C)cc3)cccc12 1858946891 BFXDNQWXDPSJHZ-UHFFFAOYSA-N 442.559 6.562 30 10 IKEE C=CCN(CC=C)C(=O)Oc1cccc2c(NC(=O)COc3ccccc3OC)cccc12 1858947216 BZQQISIJAAHZFH-UHFFFAOYSA-N 446.503 5.039 30 10 IKEE C=CCOC(=O)c1sc(NC(=O)c2c(C)c(CC)nc3c(Cl)cccc23)nc1C 1859644454 OLPVNEKVCAAVAB-UHFFFAOYSA-N 429.929 5.119 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(NC(=O)c3cccc(C#N)c3)cc2)cc1Cl 1860159747 NMSGWDFNZLAJNI-MRXNPFEDSA-N 433.895 5.178 30 10 IKEE CCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)Cc1cc(Cl)ccc1SC 1860978638 KPCRRMWTTJOGFG-IBGZPJMESA-N 425.038 5.072 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc2nc(-c3cccc(OCC(C)C)c3)[nH]c2c1 1861874546 WTYMBIKDWBCCQW-UHFFFAOYSA-N 449.639 7.135 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc2cc[nH]c2c1 1862380360 AQGJHURXNQECIZ-IBGZPJMESA-N 427.287 5.239 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2ccc(O)c(OC)c2)cc1 1862397215 OKJGBLSLQXPGCV-MWTRTKDXSA-N 437.536 5.120 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2ccccc2C)cc1C 1862400730 LBPPVJPXDMKZBZ-RUZDIDTESA-N 441.527 5.399 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2cccc(F)c2)cc1C 1862401854 LJRMJJONOOONTD-HSZRJFAPSA-N 449.453 5.060 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C 1862406254 ZIOBZJMOXTXUQE-HSZRJFAPSA-N 435.564 5.535 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1c(Cl)cccc1Cl 1862415704 DMJDSWZIJJHGAC-GOSISDBHSA-N 440.273 5.650 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccccc1[N+](=O)[O-] 1862436138 MKQJXVDUFJSNCC-IBGZPJMESA-N 428.872 5.017 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862482268 LOCCYSLYAXDPKL-FQEVSTJZSA-N 448.346 5.307 30 10 IKEE CCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccccc1 1862486379 AKVPFMUUDLAFER-SANMLTNESA-N 447.619 7.022 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cc(Cl)cc(Cl)c1 1862499000 VULFFLOLYXZMJQ-FQEVSTJZSA-N 432.347 5.989 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccc(CC)cc2)cc1 1862528981 AOTCOFXGWFNJKF-SANMLTNESA-N 445.603 6.503 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccccc2Cl)cc1 1862535477 CWAVHXRFLRSPDE-XDHUDOTRSA-N 445.946 6.242 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(N)c2)=C(O)C(=O)N1Cc1ccccc1Cl 1862555107 RWYAXOVBLUWKQJ-QFIPXVFZSA-N 432.907 5.009 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccccc2Cl)c1 1862555275 TVTOMRXBVARMSG-QFIPXVFZSA-N 432.907 5.009 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2c(Cl)cccc2Cl)c1 1862563167 XJRSIZBKSTWFJB-LJQANCHMSA-N 431.319 5.097 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1ccccc1Cl 1862569965 ZDYUQXNMMHXAQF-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccccc1 1862621187 KEFZPQUBGCDWPU-CVDCTZTESA-N 435.520 5.353 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 1862624151 ZKBPAZOWMZLKQB-FQEVSTJZSA-N 443.465 5.744 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(OCC)c(OC)c1 1862670550 WOCRODCACAAOEG-HSZRJFAPSA-N 437.536 5.206 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(Cl)cc1Cl)c1ccc(F)cc1 1862682997 MYGDAFIBFIOGND-IBGZPJMESA-N 446.261 5.504 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 1862705421 XWSUHYFMOGKLKK-XMMPIXPASA-N 447.575 5.904 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1ccc(Cl)cc1Cl)c1ccc2ccccc2c1 1862720660 AYPUQBPDWIVPFO-NRFANRHFSA-N 438.310 5.887 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1 1862752628 ZVGOEWPBHQJYAT-FQEVSTJZSA-N 442.899 5.407 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(C)ccc2OC)=C(c2ccccc2F)C1=O 1863296390 BBILTGFKDRFEMU-UHFFFAOYSA-N 438.543 5.695 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(OC)c2)=C(c2cc(C)ccc2C)C1=O 1863393150 JONWWCHVIDGPCQ-UHFFFAOYSA-N 434.580 5.865 30 10 IKEE CCCCCCCCNC1=C(c2ccc(OC)cc2)C(=O)N(Cc2cccc(C)c2)C1=O 1863673478 LAMSUKQZLRTBAO-UHFFFAOYSA-N 434.580 5.234 30 10 IKEE CCCC[C@H](NC(=O)C[C@@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccccc1C#N 1866746802 QPEDTBRNAULDLE-RSXGOPAZSA-N 447.623 6.125 30 10 IKEE Cc1ccccc1-c1nc(Nc2cccc(C#N)c2)cc(N(C)CC(C)(C)c2ccccc2)n1 1868293000 SSSHOKNTXZIFAF-UHFFFAOYSA-N 447.586 6.481 30 10 IKEE CCCCCCCOc1cn(Cc2ccncc2)c(CNc2ccc(Cl)cc2)cc1=O 1870835637 BDOVEHUFNJENQJ-UHFFFAOYSA-N 439.987 5.906 30 10 IKEE CCCCCCCOc1cn(CCCN(C)C)c(CNc2cc(C)cc(C)c2)cc1=O 1870837661 RIYUOFCXQOEUEO-UHFFFAOYSA-N 427.633 5.378 30 10 IKEE C=CCn1cc(OCCCCOc2cccc(C)c2)c(=O)cc1CNc1cccc(F)c1 1871221090 MVDZVMSSAYNJOI-UHFFFAOYSA-N 436.527 5.332 30 10 IKEE Cc1ccc(CCC(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)cc1 1871367537 PUWYMZJOBYYNSS-HAHDFKILSA-N 443.455 5.366 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2Cl)C3=O)cc1[N+](=O)[O-] 1871375038 PMMNJLOFZMMHAV-MTJSOVHGSA-N 449.846 5.700 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2F)C3=O)cc1 1871375476 NFPCYWROYVLNEJ-HAHDFKILSA-N 432.447 5.297 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OC(=O)c3cc(Cl)ccc3Cl)cc(C)c2C1=O 1871380802 CJYBGCVHEIWNLK-FBHDLOMBSA-N 439.294 6.446 30 10 IKEE Cc1cccc(N2CCN(Cc3c(O)cc(C)c4c3O/C(=C\c3cccs3)C4=O)CC2)c1 1871397716 KDRROHLUXFLRSE-HAHDFKILSA-N 446.572 5.009 30 10 IKEE Cc1cccc(OCCCCOc2cc(C)c3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)c1 1871403043 BRJRTCIZPCEGHN-XYGWBWBKSA-N 448.946 6.811 30 10 IKEE C[C@H](Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O)C(=O)Nc1ccccc1Cl 1871405808 PLWWOPOQHSQMST-ZDXHCBJDSA-N 437.854 5.501 30 10 IKEE COc1ccc(OCCCOc2ccc3c(c2C)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871415904 ZWMBQWBYBXTQJA-SUNKIAIMSA-N 442.511 6.024 30 10 IKEE C=CCN(CC=C)c1nc(=NCCc2ccccc2)nc(Nc2ccc(CCCC)cc2)[nH]1 1871499416 SYMYWSRRNUCZML-UHFFFAOYSA-N 442.611 5.213 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(Cl)cc2C)[nH]c(N2CCC[C@@H](C)C2)n1 1871568475 WRIUXLRELPKNMS-GOSISDBHSA-N 445.055 6.008 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(N(C)C)cc2)[nH]c(N2CCCCCC2)n1 1871693893 AXQWZTVKKPYGLH-UHFFFAOYSA-N 439.652 5.256 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1cccc(F)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1871971585 IWPFSBPRAJDCAL-QFIPXVFZSA-N 446.588 5.125 30 10 IKEE CCCCc1ccc(N2C[C@H](C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)CC2=O)cc1 1872768069 IUZPDZBFONGLKM-IRLDBZIGSA-N 443.572 5.382 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(OCC)c(OC)c3)n2)cc1 1872768334 PWWURVHNTBEIPY-VLUHHTHFSA-N 448.544 5.506 30 10 IKEE CCc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)cc1 1872774773 BLXAAPNFSPDWTR-IBGZPJMESA-N 438.524 5.556 30 10 IKEE N#Cc1ccccc1NC(=O)c1ccc2nc(COc3ccc(Cl)cc3Cl)[nH]c2c1 1872804715 HQPJKHYRSSHIEN-UHFFFAOYSA-N 437.286 5.573 30 10 IKEE C=CCc1ccccc1OCc1ccc(C(=O)Nc2ccc(Br)cc2C)cc1 1872859569 WUULKUAFRKPWMY-UHFFFAOYSA-N 436.349 6.317 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC2CCCCCC2)=C(c2ccccc2F)C1=O 1873028918 BAEUJIYIKBCLBP-UHFFFAOYSA-N 442.619 6.359 30 10 IKEE CCCCCCCCN=c1nc2c(cnn2-c2ccccc2)c(Nc2ccc(C)cc2)[nH]1 1873478087 LERKXGOIHCSKLN-UHFFFAOYSA-N 428.584 6.062 30 10 IKEE C=CCn1c(C(=O)Nc2ccccc2C)cc2c(NCc3ccccc3Cl)ncnc21 1873605724 PDNRPDHWQJWZTG-UHFFFAOYSA-N 431.927 5.444 30 10 IKEE CCSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1ccc(C(C)C)cc1 1874222820 DOJHYRHJVVLNSE-NLRVBDNBSA-N 436.625 5.970 30 10 IKEE CCCCOc1ccc(/C=N/n2c(COc3ccc(Cl)c(C)c3)nnc2SC)cc1 1874229294 CEIRGVQXYZWUOQ-ZVHZXABRSA-N 444.988 5.602 30 10 IKEE CCCOc1ccc(/C=N/n2c(CCc3ccc(Cl)cc3)nnc2SCCC)cc1 1874284426 GZQQYILTHZLAJM-KOEQRZSOSA-N 443.016 5.890 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccc(C)c(C)c3)n2/N=C/c2ccccn2)cc1 1874328921 NDZANPJPVKHZHC-OGLMXYFKSA-N 441.604 5.558 30 10 IKEE CCCSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1c(Cl)cccc1Cl 1874331584 UEFBIEAEZYAQQF-AFUMVMLFSA-N 447.435 6.371 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2)n1/N=C/c1ccccc1F 1874362700 RTXZJMIRMDMTRY-WPWMEQJKSA-N 430.552 5.685 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(-c3cccs3)n2/N=C/c2ccccc2)c1C 1874420909 KRHXLIYMIBVYRZ-ZVHZXABRSA-N 447.589 5.236 30 10 IKEE C=C(C)CSc1nnc(-c2cccs2)n1/N=C/c1cc(Br)ccc1F 1874422374 IRQYNZNQADHDPH-AWQFTUOYSA-N 437.363 5.459 30 10 IKEE Cn1cccc1/C=N/n1c(SCc2c(Cl)cccc2Cl)nnc1C1CCCC1 1874456932 ROQPZFZTCKZFNR-FSJBWODESA-N 434.396 5.756 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccco3)n2/N=C/c2ccncc2)cc1Cl 1874468332 CXIHDDRJBUVZHA-FOKLQQMPSA-N 430.320 5.414 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(CC)n2/N=C/c2ccc(C(C)C)cc2)cc1 1874524154 ZDXUDMVSVVPEEQ-MFKUBSTISA-N 435.597 5.139 30 10 IKEE Cc1cccc(OCc2nnc(S)n2/N=C/c2cccc(Oc3ccccc3)c2)c1C 1874563027 GIAREGCFQUYTPL-MFKUBSTISA-N 430.533 5.437 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Br)ccc2OCc2ccccc2F)cc1 1874572855 JCMJVNLJODTWDA-ACCUITESSA-N 439.324 6.626 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)NC3CCCCC3)c2)cc1 1874593621 SUGGIXPIZCSIBA-GHRIWEEISA-N 449.591 5.762 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Cl)c1OCc1cccc(Cl)c1 1874608998 ROCGRFZCHBKIAS-MDZDMXLPSA-N 447.745 7.131 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccccc1F 1874615295 QAQQAICOYMVYDR-LFIBNONCSA-N 446.518 6.437 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(CC)cc3)cc2)cc1 1874616883 YEPWBXQUSFGYNK-GIJQJNRQSA-N 443.543 5.951 30 10 IKEE CCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(C)cc1 1874680405 SYIQVVMTPOUCPY-VWLOTQADSA-N 433.596 5.893 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OC(=O)CCc3ccccc3C)c2)c1 1874706804 ZTRONVNEEGUQCH-SDNWHVSQSA-N 430.500 5.447 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OC(=O)COCc1ccccc1 1874707976 GMBKFRYESGTCTA-OQLLNIDSSA-N 444.527 5.837 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(OC)cc3)c(Cl)c2)cc1 1875099931 GGHUPUQZPJZLGC-RIYZIHGNSA-N 434.919 5.955 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1 1875101151 PFKBHZZSRYHKET-WLRTZDKTSA-N 435.863 5.926 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3Cl)cc2)cc1 1875111425 IIXOXVCWFNMTOG-SFQUDFHCSA-N 434.919 6.173 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)CCc1ccccc1 1875116232 QZCYSWKWQFTUQY-OVCLIPMQSA-N 445.471 5.428 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C2CCCC2)c(Br)c1)c1ccc([N+](=O)[O-])cc1 1875118141 UMVWCXIIRNVDRV-VZUCSPMQSA-N 444.281 5.349 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3OC)cc2[N+](=O)[O-])cc1 1875119466 WDIXLMADGQCSNA-GXDHUFHOSA-N 431.444 5.281 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)c1ccncc1 1875121897 MQJJOACCIZTNDV-CMDGGOBGSA-N 433.891 5.587 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)c1ccc(C(C)(C)C)cc1 1875127913 FDXZOWFAIYOYLW-LFIBNONCSA-N 444.527 6.117 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3Cl)c([N+](=O)[O-])c2)cc1 1875135960 QCGRCMOVGVNJDK-XYOKQWHBSA-N 435.863 5.601 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)c3ccc4c(c3)OCO4)c(Cl)c2)ccc1F 1875141382 BHOFJSWCQSVZPF-FARCUNLSSA-N 438.838 5.632 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(OC(C)=O)cc2)cc1 1875143588 HMPZTAZPUHKTDQ-VGOFMYFVSA-N 430.456 5.044 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3OC)cc2)cc1 1875143810 RZORFHGFDIKSOK-FOWTUZBSSA-N 428.528 6.000 30 10 IKEE O=C(CSc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1Cl 1875162259 FEUYMCNXQDMIGQ-UXBLZVDNSA-N 444.886 6.212 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)Cc1ccccc1 1875182880 ZKGVMGATQXAQKF-VAWYXSNFSA-N 444.527 5.673 30 10 IKEE CCCCCCCCC[C@@H](CCCN(Cc1ccccc1)C(=O)OC(C)(C)C)NCC 1915228242 LKCQQINXACTLBZ-VWLOTQADSA-N 432.693 7.323 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](O)c1ccc(C)c(Br)c1C 1922070252 XTMCBAXQXQKUQB-XZOQPEGZSA-N 432.402 5.241 30 10 IKEE C=CCC1(NCc2cc(F)ccc2Br)CCN(C(=O)OC(C)(C)C)CC1 1924541493 ADLNGAPOSKNWDO-UHFFFAOYSA-N 427.358 5.024 30 10 IKEE C=C[C@](CCC)(NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](CCCC)C(=O)O 1927514226 QVQBUNQEHFJAOK-SHQCIBLASA-N 435.564 6.141 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 1945521305 FLOVHSXHZRFUMF-ATZDWAIDSA-N 433.524 5.105 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)CC1 1948926215 AXJMYSDZMYJZQG-SMIHKQSGSA-N 430.633 5.601 30 10 IKEE C[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)CCN1Cc1ccccc1 1949376814 FHMDDOXLFYZNCS-HFZDXXHNSA-N 425.617 5.893 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)C1 2005382927 RCAHYLQWBJPQCO-HSZRJFAPSA-N 449.979 5.765 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 2016054888 MLPLAVFKZDSBDP-GOTSBHOMSA-N 428.617 5.307 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(Cl)cccc1Br 2028852874 UDVZRRVGRNUGEQ-NVXWUHKLSA-N 429.786 5.060 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1 2032043811 MWXHHULSDLXMQD-BSWQBHCVSA-N 441.572 5.276 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC1CCC(CNC(=O)OC(C)(C)C)CC1)NCCC 2069864478 MYQUOYXXIRKFCA-RVMZIBIISA-N 444.660 5.849 30 10 IKEE CC(C)(C)OC(=O)c1nn(-c2cc(C(F)(F)F)ccc2F)c(C(F)(F)F)c1Cl 2079180591 VZHFXSJLAYGCAG-UHFFFAOYSA-N 432.723 5.658 30 10 IKEE Cc1ccc([C@H](n2nc(C3CCC3)c(C=NO)c2Br)C2(C)CC2)c(F)c1F 2079906244 PELSQXFXVZMKGK-SFHVURJKSA-N 438.316 5.697 30 10 IKEE CC[C@H](c1ccc(C(C)C)cc1)n1nc(C2(C)CC2)c(C#N)c1I 2079951878 ZMLOFHKZMUOLPD-QGZVFWFLSA-N 433.337 5.534 30 10 IKEE COc1ccc([C@H](n2nc(C(F)F)c(C=NO)c2Br)C(C)(C)C)cc1F 2080125687 JHJDGGXVFZPPID-AWEZNQCLSA-N 434.256 5.175 30 10 IKEE Fc1ccc(C(F)(F)F)c(-c2c(C(F)F)nn(C(F)(F)F)c2Br)c1 2080823557 RMMRMYWSFXDPHA-UHFFFAOYSA-N 427.064 5.884 30 10 IKEE CC(C)(C)OC(=O)c1ccc(NC23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)c(/N=C\c2cncnc2)c1 2081158738 DFENTOUMMDWZAF-WFRXSUHXSA-N 432.568 5.563 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)[C@@H](C)CN(Cc3ccccc3)C[C@H]2C)c1 2099267758 XOXPCBNRVQNROM-YFWUERRMSA-N 449.595 5.487 30 10 IKEE N#C[C@H](Nc1ccc(F)cc1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134726740 XXHYMCZHRFMACL-SANMLTNESA-N 438.502 6.660 30 10 IKEE CC1(C)CC[C@@H](Nc2cccc(Br)c2C#N)[C@@H](CNC(=O)OC(C)(C)C)C1 2162313843 YVLRELBVAGPNRP-RHSMWYFYSA-N 436.394 5.452 30 10 IKEE CC(C)(C)OC(=O)N1Cc2ccc(Nc3cc(Br)cc(F)c3C#N)cc2C1 2163711351 PQFUAAYJKWIPDD-UHFFFAOYSA-N 432.293 5.454 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc2c(c1)CCN(c1ccc(C#N)c(Br)c1)C2 2174811239 VTRAAUDPHWWYSP-UHFFFAOYSA-N 428.330 5.230 30 10 IKEE CC(C)(C)OC(=O)NCCCCCCCC(=O)Nc1ccc(C#N)c(Br)c1 2181053161 JPJJJKGBKNJRGY-UHFFFAOYSA-N 438.366 5.125 30 10 IKEE C=CCCCCCC[C@H](NC)[C@H](O)c1scc(Br)c1Br 2206896034 ZOGSJMWAYHBFPD-JSGCOSHPSA-N 425.230 5.421 30 10 IKEE C=C1CCC(C[C@@H](O)[C@@H](Cc2cccc(Br)c2)NC(=O)OC(C)(C)C)CC1 2237384851 VYTAJYBKQZQNER-WOJBJXKFSA-N 438.406 5.382 30 10 IKEE CCCCCC#CC[C@@H](N)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237419687 HIPAMOLSHANEKO-UXHICEINSA-N 437.422 5.186 30 10 IKEE C#C[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2243919633 WHVCFNRTZIYFLH-IBVKSMDESA-N 446.591 5.104 30 10 IKEE C=CCCN(Cc1ccccc1)C(=O)c1cc(Cl)c(C)c(B2OC(C)(C)C(C)(C)O2)c1 2255814875 FQFKJXORGPGOGW-UHFFFAOYSA-N 439.792 5.166 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CC[C@H](C1)[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2258110694 XMKUDBJFNMXOES-DXSJEHQWSA-N 441.572 5.404 30 10 IKEE C=CCCC1(C(=O)c2cc(C)cc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2266280313 BMWUJPDWENTWHJ-UHFFFAOYSA-N 426.326 5.283 30 10 IKEE C=CC[C@@]1(COc2ccc(Br)c(C)n2)CCCCN1C(=O)OC(C)(C)C 2272081277 PTCBOIJBWVUEOA-FQEVSTJZSA-N 425.367 5.267 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1Cc2ccc(Nc3c(Br)cccc3C#N)cc2C1 2285190300 RGEJLFMQCBKQCK-KRWDZBQOSA-N 428.330 5.056 30 10 IKEE C=CCC[C@@H](C)[C@@](C)(OCCCN)c1cc(Br)c(Br)s1 2294219660 WJMAFQJAARQNQY-IAQYHMDHSA-N 425.230 5.456 30 10 IKEE O=C1NC(=Nc2ccc(Br)cc2)SC1=Cc1ccc(Cl)cc1Cl 2295491546 RWICWDKYSUSCFU-UHFFFAOYSA-N 428.138 5.648 30 10 IKEE Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(Cl)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 2296132806 LHBNCNIDBBNVIY-NRFANRHFSA-N 448.862 5.183 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)C(C)(C)C(C)(C)NC(=O)OC(C)(C)C 2296309760 AFAGXPCFPTUXKK-SFHVURJKSA-N 437.422 5.108 30 10 IKEE NC(=NOC(=O)C=Cc1ccc(Cl)cc1Cl)c1ccc(OCc2ccccc2)cc1 2297616647 YDXPYGOMGJZSBG-UHFFFAOYSA-N 441.314 5.449 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@]1(C#N)C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 2310844695 QHUKAJHSKMPSBR-HZMCFHPPSA-N 438.612 6.224 30 10 IKEE CCN1C(=O)C(=Cc2cccc(Cl)c2)SC1=Nc1nc(-c2ccccc2)cs1 2314543688 KHFVSEKKLUEGSG-UHFFFAOYSA-N 425.966 6.087 30 10 IKEE Cc1nnc(SCc2ccccc2Cl)n1N=Cc1cc(Br)ccc1F 2321154309 PCWZAGLQVIQNBE-UHFFFAOYSA-N 439.741 5.316 30 10 IKEE Cc1ccc(C)c(COc2cc(C)c3c(c2)OC(=Cc2ccc(Cl)c(Cl)c2)C3=O)c1 2321759896 IBEJYJJUQDDQJL-UHFFFAOYSA-N 439.338 7.114 30 10 IKEE Cc1c(OCc2cccc(F)c2)ccc2c1OC(=Cc1ccc(Cl)cc1Cl)C2=O 2321890002 UXUKPMHWZFNCFH-UHFFFAOYSA-N 429.274 6.636 30 10 IKEE CC(C)(C)Cc1nnc(S)n1N=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12 2321937269 LZIYDVLPBPUKBQ-UHFFFAOYSA-N 448.567 5.909 30 10 IKEE Sc1nnc(Cc2ccccc2)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2321955321 MXEUFKPITFKORZ-UHFFFAOYSA-N 434.952 5.272 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc4c(c1)OCO4)O3)CN([C@H](C)c1ccccc1)CO2 2322092535 HWLCGCUWVAELMK-QGZVFWFLSA-N 441.483 5.253 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2cccc(C)c2)cc1 2322391366 CVFCOILXRYGDBI-UHFFFAOYSA-N 427.544 6.251 30 10 IKEE CCCN(CCC)C(=O)COc1c(C=CC(=O)c2ccc(OCC)cc2)cccc1OC 2322565260 QLIHDXIXGMKREW-UHFFFAOYSA-N 439.552 5.017 30 10 IKEE Cc1cc(C(=O)C=Cc2c(OCC(=O)NCc3ccco3)ccc3ccccc23)ccc1F 2322630957 UDYBFKNWTJFOFA-UHFFFAOYSA-N 443.474 5.472 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2c(F)cccc2Cl)cc1 2322736543 TYGYEXKRCFZHNO-UHFFFAOYSA-N 443.345 7.731 30 10 IKEE CCCNC(=O)COc1ccc2ccccc2c1C=CC(=O)c1cc(Cl)ccc1Cl 2322999313 FAMSXYZPARVNML-UHFFFAOYSA-N 442.342 5.948 30 10 IKEE Cc1ccc(NC(=O)COc2cccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1C 2323047445 MXQAZOFLHRHSDK-UHFFFAOYSA-N 430.460 5.125 30 10 IKEE Cc1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2c(F)cccc2Cl)C3=O)cc1 2323063555 GFIHVJKERPONEM-UHFFFAOYSA-N 448.877 6.331 30 10 IKEE CCCNC(=O)COc1cccc(C=CC(=O)c2ccc(OCCC)c(OCCC)c2)c1 2323118164 YSGFPOFTODHEMU-UHFFFAOYSA-N 439.552 5.065 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc1OCc1ccc(C)cc1 2323230018 ZNZHBPBIPGCVFZ-UHFFFAOYSA-N 444.571 6.785 30 10 IKEE Cc1cc(OC(=O)c2cccc([N+](=O)[O-])c2)cc2c1C(=O)C(=Cc1cccc(Cl)c1)O2 2323310186 XWQWIDMOUUQJTA-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OCc1cc(C)ccc1C 2323437690 LENNLKONYAINIT-UHFFFAOYSA-N 426.556 6.666 30 10 IKEE COc1cc(C=Nn2c(C)nnc2SC)ccc1OCc1ccc(Cl)cc1Cl 2323561806 UBWVREYPBROJGO-UHFFFAOYSA-N 437.352 5.085 30 10 IKEE CCOc1cc(C=NNc2nc(-c3ccc(OC)cc3OC)cs2)cc(Cl)c1O 2323858480 CITKMARSZQIDPE-UHFFFAOYSA-N 433.917 5.031 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1 2323874092 JMHVDAWZCRLPDX-UHFFFAOYSA-N 434.363 5.917 30 10 IKEE CC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2C)C3=O)c1 2323900841 AZNDFHGIQGIUAB-UHFFFAOYSA-N 428.440 5.064 30 10 IKEE O=C(C=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1ccc2c(c1)OCO2 2324080748 ZSGQAICQESVVGH-UHFFFAOYSA-N 427.283 6.197 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2OC)cc(Br)c1OCC 2324474760 RXKWVJGWCGIADU-UHFFFAOYSA-N 435.314 5.160 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C)o2)C3=O)cc1 2324492564 LKGUVFFLEOIVPQ-QGZVFWFLSA-N 431.488 5.481 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 2324514864 XSQINNCMEHJSPG-UHFFFAOYSA-N 437.879 6.040 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c(OC)c2OC)ccc1OCc1ccccc1 2324725841 ABZSMJYMLZNTSQ-UHFFFAOYSA-N 434.488 5.196 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(OCc4cc(C)c(C)cc4C)c3C)C2=O)cc1 2324765404 WQGGWOASXCRPPY-UHFFFAOYSA-N 428.528 6.514 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(O)c(OC)c1 2325610581 VSTZJTHDXWBVGT-UHFFFAOYSA-N 437.352 5.036 30 10 IKEE COc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)c1ccc(C)c(C)c1 2325675140 CJERHDCFRSWQHW-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O)Nc1cccc2ccccc12 2325706875 OSRANKHNKSKJIB-UHFFFAOYSA-N 439.442 5.613 30 10 IKEE CCCCc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2cccs2)C3=O)cc1 2325719556 WYCFBPJMAHUENJ-UHFFFAOYSA-N 433.529 5.724 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OC(=O)COc1c(C)ccc(C)c1C 2325737674 ZRTUOJKJTVXOJO-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2OC)cc1OC(=O)c1ccc(F)cc1F 2325742913 PGLYCZMVVVPCOP-UHFFFAOYSA-N 438.426 5.406 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccco3)c2)cc1 2325751764 BTWYBPQLCOWBQR-UHFFFAOYSA-N 432.516 6.744 30 10 IKEE Cc1ccsc1C(=O)Oc1cccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)c1 2325754784 FOMRLCLGRAQROP-UHFFFAOYSA-N 440.520 6.964 30 10 IKEE CCOc1c(Cl)cc(C=Nn2c(CC)nnc2SCc2ccccc2)cc1Cl 2326219180 WYUSUUNXOVHJGI-UHFFFAOYSA-N 435.380 5.721 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1cccc(OC(C)C)c1 2326446215 DDSFILHWMPPNQX-UHFFFAOYSA-N 436.625 6.199 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2ccccc2F)n1N=Cc1ccccc1 2328558338 JSYVYTYJCFZQOC-UHFFFAOYSA-N 446.551 5.788 30 10 IKEE CCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1cccc(Br)c1 2329091210 BGSFLQUTTGERFB-UHFFFAOYSA-N 435.778 5.279 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2Cl)n1N=Cc1cc(OC)ccc1OC 2329577016 LFEMMFOCBJSGIC-UHFFFAOYSA-N 428.945 5.166 30 10 IKEE Cc1cccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCCc2ccccc2)c1 2329852966 MDVHHQFDFDPRKC-UHFFFAOYSA-N 430.552 5.533 30 10 IKEE N#Cc1cccc(C(=O)Nc2ccc(Cl)c(NC(=O)C=Cc3ccc(Cl)cc3)c2)c1 2329854583 WGQHLMZYPCVKDA-UHFFFAOYSA-N 436.298 5.769 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@H](C)c3ccccc3)n2N=Cc2cccc(F)c2)c1 2330109569 CYWDDHPVSFALMT-HXUWFJFHSA-N 444.579 6.360 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)c1 2330774595 JISSCGDYIXEIOD-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)c(F)c3F)c(OC)c2)c1 2330800480 SHNIIYBQZGFBHD-UHFFFAOYSA-N 442.389 5.236 30 10 IKEE CCSc1nnc(CC(C)(C)C)n1N=Cc1ccc(N(CC)Cc2ccccc2)cc1 2330833077 POUOMYZTQLOHKT-UHFFFAOYSA-N 435.641 5.887 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2)cc(Cl)c1OC(=O)CC(C)C 2330867549 IYNOANBSKXJWAH-UHFFFAOYSA-N 430.928 5.903 30 10 IKEE CN(C)c1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2[C@@H]2CCCO2)cc1 2330967882 JMHZPLSDVYFQCZ-FQEVSTJZSA-N 441.988 5.024 30 10 IKEE Cc1cccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1C 2331018143 YVLKWYNVXWKRNA-UHFFFAOYSA-N 431.444 5.092 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Cl)c(OC(=O)CC2CCCCC2)c(OC)c1 2331049553 OQSQUALRFGQIRI-UHFFFAOYSA-N 442.939 6.129 30 10 IKEE CCc1ccc(C=Nn2c(SCc3ccc(C(=O)OC)o3)nnc2C2CCCC2)cc1 2331065794 DPHQXKOLTFDGAT-UHFFFAOYSA-N 438.553 5.052 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Br)c(OC(=O)C(C)(C)C)c(OC)c1 2331076200 PMTRCEQCFINMPL-UHFFFAOYSA-N 447.325 5.314 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)[C@@H]1CCCO1 2331150025 VZUWDHPLZGCSFK-IBGZPJMESA-N 435.303 5.373 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccccc3CC)cc2)cc1 2331189804 GHEDRJKXXBBWGU-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)cc3)c(OCC)c2)cc1 2331206873 YOBRJHJUALAFFI-UHFFFAOYSA-N 430.500 5.908 30 10 IKEE CCCCc1nnc(SCc2ccccc2C)n1N=Cc1ccc(Br)cc1 2331322665 BFJMCMNSVSNOOC-UHFFFAOYSA-N 443.414 5.866 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H](C)c3ccccc3)c(Cl)c2)c(C)c1C 2331613390 GPGGNGYSZXUVDX-LJQANCHMSA-N 448.946 6.571 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1OC(=O)CC(C)C 2331640758 YHLODYWWCDVRJF-UHFFFAOYSA-N 428.956 6.430 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)Cc2ccccc2[N+](=O)[O-])cc1 2331659372 SZNMZMHHTRRSAA-UHFFFAOYSA-N 445.471 5.264 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)CCCSC)c([N+](=O)[O-])c1 2331665485 XBMOLAYCAXKGFN-UHFFFAOYSA-N 443.521 5.165 30 10 IKEE CC[C@H](C)[C@@H](COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339578286 FCHGBUTWATYSAF-PKOBYXMFSA-N 446.397 5.044 30 10 IKEE C=CCCCCCCCCOc1ccc(Br)c(NC(=O)OC(C)(C)C)c1 2344301954 HWNBSTHBQSTTOU-UHFFFAOYSA-N 426.395 7.092 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)c1c(C)c(C)c(Br)c(C)c1C 2345947140 UMCDWQQQLXJCLZ-APWZRJJASA-N 426.395 5.576 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H](Nc2cc(Br)cc(C#N)c2)[C@@H]1C(F)(F)F 2370171538 CPQRXLDURZZFHF-HUUCEWRRSA-N 448.283 5.063 30 10 IKEE C=CCC1([C@H](O)c2c(C)c(C)c(Br)c(C)c2C)CN(C(=O)OC(C)(C)C)C1 2372264748 IUCUTDZTRSXGKN-LJQANCHMSA-N 438.406 5.529 30 10 IKEE CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccccc2)C2=C(CCCC2=O)N1 1010249 ONFNMQBVMJHACL-OAQYLSRUSA-N 426.438 5.312 30 10 IKEE C=CCc1ccccc1OCC(=O)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 2610013 XWCWNAYTSGGDOH-UHFFFAOYSA-N 426.541 6.223 30 10 IKEE COc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccc(C)cc4C)nn32)cc1 20134151 LKEWDCYFOAAIBX-QHCPKHFHSA-N 446.576 5.218 30 10 IKEE Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C(C)(C)C)cc2)C3)o1 21222467 PTAGWKPJONMWIU-UZTOHYMASA-N 426.560 6.865 30 10 IKEE C=CCn1c(S[C@@H](C)C(=O)NC(C)(C)CC)nc2cc(-c3ccccc3)sc2c1=O 25406103 DAWZQBYNCZCPJH-HNNXBMFYSA-N 441.622 5.096 30 10 IKEE C=C1CC[C@H](O)C/C1=C/[C@@H](O)[C@@]1(O)CCC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@H]21 34655551 KXILCRGOVVVVRF-OZRHESORSA-N 430.673 5.807 30 10 IKEE in-vitro O=C(Cc1cc(-c2ccccc2F)on1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 38497546 ZAJGTDZBALAVSB-UHFFFAOYSA-N 432.295 5.700 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OCc4c(F)c(F)c(F)c(F)c4F)c3C)C2=O)c1 41436006 DMVFBNHLYRICGE-MFOYZWKCSA-N 446.371 6.194 30 10 IKEE COc1cccc(COc2cc(C)c3c(c2)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)c1 41504121 PUNYQOPZTVLPKS-MYYYXRDXSA-N 428.528 6.496 30 10 IKEE COc1cccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3cccs3)C4)C2=O)c1OC 41588403 WTOXOOUWPOSTTF-NHDPSOOVSA-N 449.528 5.042 30 10 IKEE C=CCCC(=O)Nc1ccc2nc(SCc3cc([N+](=O)[O-])ccc3OC)sc2c1 59721057 KQQZPMFPNPBISK-UHFFFAOYSA-N 429.523 5.410 30 10 IKEE C=CCn1c(SCCC(=O)Nc2ccc(C)cc2C)nnc1-c1ccc(Cl)cc1 59794979 HCFQREALRREURG-UHFFFAOYSA-N 426.973 5.522 30 10 IKEE CCOc1ccccc1N/C(=N\C(=O)c1ccc(C)cc1)NCCc1c[nH]c2ccccc12 66437721 CNWWCSYCYFTKRO-UHFFFAOYSA-N 440.547 5.316 30 10 IKEE CCCCCCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2cc(C)cc(C)c2)c1 98021358 MUPAZVCNIQMCQQ-AREMUKBSSA-N 438.637 6.771 30 10 IKEE CCCCCCCCC(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccc(F)cc2)cc1 98021530 CNBUYNOJKFWSOL-DEOSSOPVSA-N 428.573 6.293 30 10 IKEE COc1ccc(NC(=O)c2oc3c(c2C)/C(=N\Nc2ccccc2)CC(C)(C)C3)c(OC)c1 101108955 QTZHXCZNICRAPQ-BRPDVVIDSA-N 447.535 5.646 30 10 IKEE O=C1C[C@@H](S/C(=N/c2ccccc2)NCc2ccccc2)C(=O)N1c1ccc(Cl)cc1 105533831 CFJSOBLVCSLXCI-OAQYLSRUSA-N 449.963 5.183 30 10 IKEE COc1ccc(N/N=C/c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1 169885652 GGSHXVKUYXWIFO-QEUXCTTPSA-N 446.554 6.497 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(OCc3ccc(F)cc3)cc2)NC(=S)N1 169937991 PYBXBGFWEZPQBP-QHCPKHFHSA-N 432.520 5.080 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\Nc2nc(C)c(C(C)=O)s2)cc1Cl 169941901 OQOSVJISHGSNRY-IWIPYMOSSA-N 436.021 6.883 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(N(C)C)cc2)c1 169956811 HXTFOKJIEWOLPE-XMMPIXPASA-N 448.563 5.062 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(Cl)c2)c1 169970166 UHKIRZKMESFXPQ-NRFANRHFSA-N 438.310 6.085 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1cccnc1 170005223 AFIJJNBIWLVDCQ-QFIPXVFZSA-N 443.890 5.308 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@@H]2c2ccncc2)cc1C 170022117 CWFGGIYAOYQIDA-JOCHJYFZSA-N 432.907 5.443 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 170048919 IKJNNEWZWUUELM-HSZRJFAPSA-N 431.919 6.246 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1c[nH]c2ccccc12 170075562 TXRDBGQZLHJUQL-QHCPKHFHSA-N 442.902 5.913 30 10 IKEE Cc1[nH]c2ccccc2c1[C@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1Cc1ccco1 170104013 NDADNLSKPVWXPG-QFIPXVFZSA-N 446.890 5.501 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccncc2)cc1 170201287 IXQDSANDDOWUFI-RUZDIDTESA-N 434.495 5.580 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)C[C@H](C)O3)=C(O)C(=O)N1c1cccc(F)c1 170270968 HXLGFMCFLURFHD-FYSMJZIKSA-N 443.474 5.240 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@@H]1c1ccco1 170284821 IPKZWHKEFUYSMQ-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC(C)C)cc3)[C@H]2c2ccco2)c1C 170286001 LWJABIQXIYXSAB-XMMPIXPASA-N 445.515 5.714 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(C)o2)cc1C 170299792 DHUPJUCCVQPOLP-QFIPXVFZSA-N 435.451 5.217 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@@H]1c1ccc(C)o1 170309254 FKQBDLTWCDMKMK-QFIPXVFZSA-N 425.525 5.407 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1c(C)[nH]c2ccccc12 170312202 AYVCTGNUDZOQQX-XMMPIXPASA-N 428.532 5.343 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1sccc1C 170313980 BLKLEWLCQJOQMY-FQEVSTJZSA-N 437.492 5.296 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1sccc1C 170315539 DCVNBOVBVMKFRA-NRFANRHFSA-N 433.529 5.465 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccccc2OC)c1 170332878 ZKGZIGKIGOIHCA-JOCHJYFZSA-N 449.528 5.328 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(Cl)cc(Cl)c2)[C@H]1c1ccccc1F)c1cccs1 170381704 RWUVRFSOWWILNU-SFHVURJKSA-N 448.302 5.977 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cccc(Br)c2)o1 170401962 BRFRVIDBEXKPDT-QGZVFWFLSA-N 444.306 5.195 30 10 IKEE C=CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCc1ccccc1 213393850 NTOCLTIRCOQHPW-RUZDIDTESA-N 427.500 5.213 30 10 IKEE COc1cccc2cc(-c3csc(NN=C(C)c4ccc(Cl)cc4)n3)c(=O)oc12 252603979 FVZDCSUEUKYLHR-UHFFFAOYSA-N 425.897 5.415 30 10 IKEE CCCN1C(=O)/C(=C2/C=Cc3ccccc3N2CC)SC1=Nc1cccc([N+](=O)[O-])c1 252637280 XRDVLDXPUDTUDX-RWTZNIAASA-N 434.521 5.333 30 10 IKEE CCOc1ccc([C@H]2C(c3cccc4ccccc34)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526520922 IKZLIPDWGVLRNB-MHZLTWQESA-N 446.506 6.167 30 10 IKEE CCCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccc(C)cc2)cc1[N+](=O)[O-] 526804301 MOTBWINDHSHQPL-UCQKPKSFSA-N 439.541 5.020 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccc(OCC)c(Cl)c1 526807161 LEUIQSFEWXIKPG-CFRMEGHHSA-N 449.407 6.111 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1c(Cl)cccc1Cl 526816589 AHVLQGUDFGIBFE-AQHIEDMUSA-N 443.762 6.114 30 10 IKEE CC(C)Oc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)[C@@H](C)c2ccccc2)cc1 586151266 RMSGARFMLNAYAP-FQEVSTJZSA-N 434.561 5.298 30 10 IKEE CCOc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2cccc3ccccc23)cc1 586255270 KVZNXYJXRISZMW-UHFFFAOYSA-N 442.540 5.506 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2C(=O)c1ccc(Br)cc1 606654534 FVCWJTXECJALIV-FQEVSTJZSA-N 425.326 5.181 30 10 IKEE CCCCc1c(C)c(C#N)c2[nH]c3ccccc3n2c1=Nc1ccc(Br)cc1 607737218 MRNIBWWDQYQHAE-UHFFFAOYSA-N 433.353 5.938 30 10 IKEE CCc1ccccc1NC(=S)/C(=C(/O)c1ccc(C#N)cc1)[n+]1cc(O)cc(Cl)c1 762444648 BKDFIFQLNBCVAQ-UHFFFAOYSA-O 436.944 5.090 30 10 IKEE COc1cc(N=Cc2cc(Cl)cc(Br)c2O)ccc1NC(=O)c1ccco1 1081086723 ZASLMWARKTZHOU-UHFFFAOYSA-N 449.688 5.413 30 10 IKEE O=C1C(=NNc2ccc([N+](=O)[O-])cc2)c2ccccc2N1C(c1ccccc1)c1ccccc1 1083885723 UUAVDVGHSFMVKH-UHFFFAOYSA-N 448.482 5.547 30 10 IKEE CC(C)(CSc1cc(F)ccc1F)C(=O)NCc1c(F)c(F)c(F)c(F)c1F 1088699532 CFUNMNFRLXZKBQ-UHFFFAOYSA-N 425.369 5.095 30 10 IKEE CC(=O)O[C@H]1CC[C@]2(C)C(=CC(=O)[C@@H]3[C@H]2CC[C@@]2(C)[C@@H]([C@@H](C)CCCC(C)C)CC[C@H]32)C1 1565537800 PMBSWZWCNKVWLV-YHQBJDPRSA-N 442.684 7.139 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=Nc1cccc(C)n1 1772730940 HICWGGHPUALTMP-GIFQUSADSA-N 434.477 5.182 30 10 IKEE COc1ccc(CCn2c(O)c(N=Nc3cccc4ccccc34)c(C)c(C#N)c2=O)cc1 1772740758 GKVPGPYRUVIDFO-UHFFFAOYSA-N 438.487 5.554 30 10 IKEE OCc1ccc(-c2c(F)c(F)c(F)c(F)c2F)nc1-c1c(F)c(F)c(F)c(F)c1F 1848358536 KODBHHZJHGKXBM-UHFFFAOYSA-N 441.224 5.299 30 10 IKEE S=C(N/N=C\c1cn(-c2ccc(Cl)cc2)nc1-c1ccccc1)Nc1ccccc1 1857811389 SCZJIMLGTAQZBG-MYYYXRDXSA-N 431.952 5.513 30 10 IKEE CCCOc1ccc(/C=C/C(=O)C(=O)Nc2ccc(Br)c(C)c2)cc1OCC 1860728961 ZRWPQCLVTKOGNZ-UXBLZVDNSA-N 446.341 5.166 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)c1ccc(Cl)c(Cl)c1 1861049936 BVRYQWJIHCTUNJ-QFIPXVFZSA-N 429.432 6.149 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@@H]1c1cccc2ccccc12 1862396191 FOEIKTWBAHVGPT-VWLOTQADSA-N 425.528 5.947 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2ccc(F)cc2)cc1C 1862402321 WOPFBHGPHMZOQD-XMMPIXPASA-N 445.490 5.230 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(F)cc2F)=C(O)C(=O)N1Cc1ccc(F)cc1 1862412152 XVGBAJRUBMAAFL-JOCHJYFZSA-N 437.417 5.191 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@H]1c1ccc(F)cc1)c1ccc(F)cc1F 1862413679 IMIBWSYRKZVYHT-QFIPXVFZSA-N 443.465 5.795 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1cccc(OCCC)c1 1862418860 NLZGFSNQXJNOLI-JOCHJYFZSA-N 443.490 5.522 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(N(C)C)cc1 1862433850 MUGHITQCDIJGSX-JOCHJYFZSA-N 440.971 5.565 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccccc2C)c1 1862441574 ADRRJWFABVAFOD-QHCPKHFHSA-N 431.919 5.735 30 10 IKEE COc1cc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C(C)C)ccc1OC(C)C 1862453758 HEICQEJBOSCZFG-NRFANRHFSA-N 443.927 5.123 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 1862478546 JNKGJKKYGALQQI-HSZRJFAPSA-N 448.519 5.594 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2cccc3ccccc23)cc1 1862480972 SZDVRMRLNZLJQZ-HRFSGMKKSA-N 447.534 6.488 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(C)cc1 1862487055 RIEMROCYBQLQIL-XMMPIXPASA-N 435.564 5.397 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2ccccc2C)c1 1862489998 LPGRUTUOPGHWKC-AREMUKBSSA-N 439.555 5.823 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccccc2Br)c1 1862496459 KVRORSYPCBAQJL-LJQANCHMSA-N 428.326 5.053 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2cccc(Cl)c2)cc1 1862503099 PNOIXIYPIBJYCB-QHCPKHFHSA-N 449.909 5.874 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(C(C)C)cc2)ccc1F 1862504609 YBNVWNREFIMKNP-XMMPIXPASA-N 435.539 6.169 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2cccc(O)c2)c1 1862507241 HIBNKLYPULULEK-XMMPIXPASA-N 445.490 5.235 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccccc1Cl 1862525925 ADYHOVAOBNMQOO-GOSISDBHSA-N 448.744 5.337 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(C(C)C)cc1 1862678800 RRHGGGQDXMOUNI-HSZRJFAPSA-N 439.527 5.343 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)cc1 1862703947 NESSGZHFHZHLDC-OUPRXKBMSA-N 449.547 5.251 30 10 IKEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1 1862722637 WFAIUFKEUDTILO-ZCYQVOJMSA-N 439.511 5.111 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2CC(C)C)c1 1862724759 SNKRXLZSJMRDTK-VWLOTQADSA-N 441.527 5.597 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)cc1 1862748790 JZHZJSOXQRNTNL-POCHDABASA-N 448.519 5.314 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(F)cc3)C2=O)cc1 1862763891 LFRMQEXNZJUVQU-UHFFFAOYSA-N 439.490 5.391 30 10 IKEE N#Cc1cccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3cccc4ccccc34)C2=O)c1 1862765189 HWHCMOQJVBSOKU-UHFFFAOYSA-N 433.442 5.247 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(C(C)C)c(C)c3)C2=O)c1 1863032307 GRPRYTKQYGBLQE-UHFFFAOYSA-N 449.554 6.004 30 10 IKEE Cc1ccc(CN2C(=O)C(Nc3ccc(C#N)cc3)=C(c3cccc4ccccc34)C2=O)cc1 1863225141 XGXWFPDHFGEUNG-UHFFFAOYSA-N 443.506 5.412 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(C(F)(F)F)cc2)=C(c2cc(Cl)ccc2Cl)C1=O 1863388975 AUZVHKBWMQYXDG-UHFFFAOYSA-N 441.236 5.390 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccccc2Cl)=C(c2cccs2)C1=O 1863481292 UUODEFKGLLKWAU-UHFFFAOYSA-N 445.028 6.734 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2C)c(CSCc2ccccc2)cc1=O 1870251652 PCWNMDBUXOAQTB-UHFFFAOYSA-N 449.660 6.988 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2)c(CNc2ccc(N(C)C)cc2)cc1=O 1870833637 PJSMJYOXDAAQDF-UHFFFAOYSA-N 447.623 5.924 30 10 IKEE CCCCCCCOc1cn(CC)c(CNc2ccc(Cc3ccccc3)cc2)cc1=O 1870835747 HIHYDRWENPFQJC-UHFFFAOYSA-N 432.608 6.420 30 10 IKEE C#CCOc1cn(CCCCc2ccccc2)c(CNc2cccc(C(C)(C)C)c2)cc1=O 1871007023 HSJJWEAPQOKSSR-UHFFFAOYSA-N 442.603 5.793 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(N(C)C)cc1)O3)CN([C@@H]1CCCC[C@H]1C)CO2 1871351265 RUAZZHCHHKOTNP-KINXUWBGSA-N 432.564 5.408 30 10 IKEE CCCCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(OC)cc1OC)C3=O 1871351813 BHSJKRPLVGGOKV-QRVIBDJDSA-N 437.536 5.361 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1cccnc1)C2=O)/C(Br)=C/c1ccccc1 1871378272 DEVULPFYJLOFNR-AEBOSEQSSA-N 448.272 5.039 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4cc5ccccc5oc4=O)c3C)C2=O)cc1 1871379571 UYHAGFFRUPEBII-QRVIBDJDSA-N 438.435 5.245 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)Oc1ccc2c(c1)O/C(=C\c1cccnc1)C2=O 1871383170 MSGAHHMEJJVCFQ-NVMNQCDNSA-N 442.254 5.232 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccccc1)C2=O 1871401658 JQCOWXBXPAMFBJ-YPFLROGLSA-N 441.527 5.888 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OCCOc4ccc(C)cc4)ccc3C2=O)cc1 1871407119 XEAUQXISBTVYFO-IMRQLAEWSA-N 443.543 5.915 30 10 IKEE Cc1c(OCC(C)C)ccc2c1O/C(=C\c1cc(Br)cc3c1OCOC3)C2=O 1871409692 FPQPVZGDXIDZGP-UWVJOHFNSA-N 445.309 5.275 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871412191 WHDCZPYVSDPCSE-NQRZERFFSA-N 431.488 5.481 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OCCOc4ccc(Cl)cc4)c3C)C2=O)cc1 1871415215 VXDRHDBFFOWAJX-JLPGSUDCSA-N 434.919 6.285 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(Cl)c(C)c2)[nH]c(N(CC)CC)n1 1871665143 NZUUAEHVUHGGDX-UHFFFAOYSA-N 447.071 6.398 30 10 IKEE C=CCN([C@H](CCC)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)c(C)c1 1871800268 UXCVOPVYYLDSFL-JOCHJYFZSA-N 449.016 5.249 30 10 IKEE C=C(C)CN([C@@H](CC)C(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1cccs1 1871949714 VAFGIDVHLVEWOO-INIZCTEOSA-N 447.409 5.039 30 10 IKEE CN(C)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1[N+](=O)[O-] 1872773639 TWLXZFBAYJZJKH-GOSISDBHSA-N 448.548 5.572 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)CCCOc3ccc(C)cc3)n2)cc1C 1872787259 FNWIUQUHYSRWKV-OAQYLSRUSA-N 434.561 5.779 30 10 IKEE CCCCCCCCNC1=C(c2ccc(C)cc2)C(=O)N([C@@H](CC)CCCCC)C1=O 1873143502 PSEHXLBJKJNQND-QHCPKHFHSA-N 426.645 6.384 30 10 IKEE C=CCN1C(=O)C(Nc2cccc(OC(C)C)c2)=C(c2cccc(Cl)c2Cl)C1=O 1873341391 DMXYXMPWOJNORK-UHFFFAOYSA-N 431.319 5.159 30 10 IKEE N#Cc1ccccc1NC(=O)c1ccc(Cn2c(Cc3ccccc3)nc3ccccc32)cc1 1873511093 QBVFHYSNBCQWHI-UHFFFAOYSA-N 442.522 5.799 30 10 IKEE CCCCCCCCCCNC(=O)c1cc2c(N3CCC[C@H](C)C3)ncnc2n1CCC 1873575122 QSUBVDFXIXJKIF-NRFANRHFSA-N 441.664 5.948 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(CCCC)cc2)cc2c(N3CCC[C@H](C)C3)ncnc21 1873657858 RNBKNVADLOZAEU-IBGZPJMESA-N 431.584 5.449 30 10 IKEE CCCSc1nnc(COc2ccccc2OCC)n1/N=C/c1ccccc1Cl 1874243028 KOTUORMOAGMWJS-OEAKJJBVSA-N 430.961 5.294 30 10 IKEE CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccc(OC)c(OC)c1 1874244080 MYRMZVSFTIHPHN-MFKUBSTISA-N 440.613 5.048 30 10 IKEE C=CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1c(F)cccc1Cl 1874245010 UHXHZGJXRYVHML-VULFUBBASA-N 445.007 5.990 30 10 IKEE CCCOc1ccc(/C=N/n2c(COc3ccccc3Cl)nnc2SCCC)cc1 1874267947 XSKKXSXCJHDBTO-BUVRLJJBSA-N 444.988 5.684 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(Cc3cccc4ccccc34)nnc2SC)cc1 1874268355 SJWIOINKBYPOOM-NLRVBDNBSA-N 429.593 5.472 30 10 IKEE Cc1cccc(CSc2nnc(CCCOc3ccccc3)n2/N=C/c2ccccn2)c1 1874317573 ZUUHKQUVJFJDRO-OVVQPSECSA-N 443.576 5.168 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2-c2ccccc2Cl)cc1 1874365180 OQLFJMPHWJYMKC-CVKSISIWSA-N 432.980 6.390 30 10 IKEE C=CCSc1nnc(Cc2ccccc2F)n1/N=C/c1ccc(OCCCCC)cc1 1874376459 XMTRWRQTPAFRQT-NLRVBDNBSA-N 438.572 5.737 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc[nH]1 1874378922 RMPYZHIKVVEURH-DHRITJCHSA-N 425.920 5.164 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(COc2ccccc2)n1/N=C/c1ccco1 1874386357 LMYOQJINDAHVPL-WYMPLXKRSA-N 442.903 5.417 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2F)n1/N=C/c1ccc(O)c(O)c1 1874395307 JNWXUIQZOMMQMJ-JOBSNELWSA-N 448.523 5.155 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C/c2ccccc2C)cc1 1874396171 BKUNEVJLVDJZTR-OVVQPSECSA-N 426.589 5.855 30 10 IKEE Cc1cccc(CSc2nnc(Cc3cccs3)n2/N=C/c2ccccc2[N+](=O)[O-])c1 1874410363 PXSNAXVJZOEUCH-OEAKJJBVSA-N 449.561 5.322 30 10 IKEE Cc1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2ccc(F)cc2F)cc1 1874420620 VEMVHTBXYROCSM-WYMPLXKRSA-N 426.517 5.768 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccccc3)n2/N=C/c2ccc(O)cc2O)c1 1874428610 RDZKIXQNNLFHMS-AFUMVMLFSA-N 430.533 5.148 30 10 IKEE CCSc1nnc(CC(C)(C)C)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1874439371 YCRGTYCCQVETLH-MFKUBSTISA-N 443.016 6.093 30 10 IKEE CCSc1nnc(C2CCCC2)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874455163 DJWZMRMABAQXCH-MFKUBSTISA-N 441.000 6.162 30 10 IKEE COc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2C2CCCC2)cc1OC 1874455845 NJEZFIMUXISNSQ-KOEQRZSOSA-N 436.581 5.170 30 10 IKEE COCCc1nnc(SCc2ccccc2F)n1/N=C/c1ccc(Cl)c(Cl)c1 1874472695 SASSWRAJXNUSSA-FOKLQQMPSA-N 439.343 5.087 30 10 IKEE O=[N+]([O-])c1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CCC2)cc1 1874497126 WCBLLQZIWUXJFG-WSDLNYQXSA-N 427.917 5.282 30 10 IKEE CSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1/N=C/c1cccc(C)c1 1874540363 LQJQBGDCIAAPGH-YDZHTSKRSA-N 435.380 5.509 30 10 IKEE CCCCCCOc1ccc(/C=N/n2c(S)nnc2Cc2ccc(C)cc2)cc1OC 1874561311 MMDRPWZJRSHHKG-KOEQRZSOSA-N 438.597 5.316 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3ccccc3c2/C=C/C(=O)c2cc(C)ccc2C)c1 1874580635 YDWGZRVCBLWBKX-CCEZHUSRSA-N 449.550 6.679 30 10 IKEE Cc1ccc(NC(=O)COc2cccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C 1874597606 VVAVQVPFLSMUPX-MHWRWJLKSA-N 441.571 6.515 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc1OCc1ccc(F)cc1 1874598517 PYCPMCIMTCXHEB-XYOKQWHBSA-N 448.534 6.750 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCCc3ccccc3)c(OCC)c2)cc1 1874617053 HWUNUZBNUMDDQI-MHWRWJLKSA-N 430.544 6.392 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 1874624282 VATNBGILOBBJGL-VIZOYTHASA-N 445.515 6.592 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)ccc1OCc1cccc(F)c1 1874638978 BOYGSZUDYXYHHX-JXMROGBWSA-N 440.898 6.362 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)CCc3ccccc3C)c2)cc1 1874701278 KGANLTFBJQGGFJ-CXUHLZMHSA-N 444.527 5.837 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OC(=O)C(C)(C)C 1874704072 VXAOUDSCLFGUPD-VQHVLOKHSA-N 449.316 5.753 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3ccccc3-c3ccccc3)c2)c(C)c1 1874716286 LMRKDUYSRRYRKU-WUKNDPDISA-N 446.546 7.394 30 10 IKEE CCCCCCCCC(=O)NCCCc1nn2c(Cc3ccc(C)c(C)c3)nnc2s1 1874796665 BQFQQIWWAYLBNF-UHFFFAOYSA-N 441.645 5.193 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3cncc(C)c3)c(OC)c2)c1 1875100770 BXXOOSQYMIOIPV-BQYQJAHWSA-N 437.879 5.176 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccccc1 1875125466 KNXOKTZSQOKXDQ-RIYZIHGNSA-N 436.891 5.619 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3cc(C)c(Cl)c(C)c3)cc2)cc1 1875132456 SJMPDULSZFTGNH-MDWZMJQESA-N 434.919 6.146 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1Cl 1875146212 JINIKVYDFVOCRT-RMKNXTFCSA-N 434.875 5.535 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)C3CC3)c(Cl)c2)cc1 1875159323 NDVCOPWAGSTZMC-VIZOYTHASA-N 440.967 6.901 30 10 IKEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1C(F)(F)F 1891010662 WCJDQMJEDFCHMK-UHFFFAOYSA-N 435.751 5.190 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(-c4ccc(C)cc4)cc3)cc21 1891185626 KJJWORVSOMRCRF-UHFFFAOYSA-N 440.543 5.852 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)OC(C)(C)C 1922077282 MGHSOXROPOSWGT-OSFFKXSWSA-N 428.617 5.067 30 10 IKEE C=C([C@H](NCCC)[C@H](O)c1cc(Br)c(Br)s1)[Si](C)(C)C 1922914512 HQQFRDMTZHEEEY-QWHCGFSZSA-N 441.305 5.108 30 10 IKEE N#Cc1csc([C@@H](CCCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 1951857769 DUKXHXMREWCHIW-JOCHJYFZSA-N 446.528 5.454 30 10 IKEE CC(C)(C)OC(=O)N1CCC(C[C@@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)CC1 1953286282 POJXDZSIYDDYPN-NRFANRHFSA-N 443.588 5.353 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCC12CN(C(=O)OC(C)(C)C)C2 2009509721 NLXSFTWGPCZEPD-DEOSSOPVSA-N 427.545 5.030 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CN(CCCB2OC(C)(C)C(C)(C)O2)C2(CCCCCC2)C1 2044524351 DLCUKZHPGNGTJD-LJQANCHMSA-N 436.446 5.161 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCCN(C(=O)OC(C)(C)C)C1 2053096786 FPQPWEATTDZNSZ-XMMPIXPASA-N 445.560 5.120 30 10 IKEE C[C@H](c1ccc(C(F)(F)F)cc1)n1nc(C(F)(F)F)c(C=NO)c1Br 2079936333 LBYGNQPNGZQQDU-SSDOTTSWSA-N 430.146 5.101 30 10 IKEE CC[C@H](c1ccc(C(C)C)cc1)n1nc(C2CC2)c(C=NO)c1I 2079938991 XLPIGIQADAKGAA-QGZVFWFLSA-N 437.325 5.296 30 10 IKEE CC(C)Oc1ccc([C@H](C2CCC2)n2nc(C(C)(C)C)c(C#N)c2Br)cc1 2080057845 PDWXAVPSVWMLCL-IBGZPJMESA-N 430.390 5.991 30 10 IKEE CCCCC#CC[C@H](NCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2083430540 KVOXBTSPDDJDSU-IGKIAQTJSA-N 442.644 5.392 30 10 IKEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1c(Cl)cccc1Br 2094994730 LABUZJZPGNNTEA-INIZCTEOSA-N 444.801 5.246 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Cl)c(Nc2ccc(C#N)c(Br)c2F)c1 2106102682 SONFJOZRFMTCNT-UHFFFAOYSA-N 440.700 6.204 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C=O)(Cc1cccc(Br)c1Cl)C2 2110527028 VWAYGNMROBWUSX-GJZGRUSLSA-N 442.781 5.392 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(Nc3ccc(C#N)c(Br)c3)CCCCC[C@H]12 2162344589 WVAOLVTZIDTQEM-RXVVDRJESA-N 434.378 5.445 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CC[C@H]2CCCN[C@@H]2C1 2166987043 ZYPPNNGCDHNQLI-QLVMHMETSA-N 434.378 5.005 30 10 IKEE Cc1ccc(NC(=O)OC(C)(C)C)c(C(=O)Nc2cc(Br)ccc2C#N)c1 2181138608 CZBLCEPKZPVULM-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE CC(C)(C)OC(=O)N1CCc2sccc2[C@H]1CNc1ccc(C#N)cc1Br 2194005353 IITZDJTWGTZOBA-QGZVFWFLSA-N 448.386 5.329 30 10 IKEE CCCCCCC[C@H](CO)N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CCCC1 2211083630 HFTXBJYDDOOITP-HSZRJFAPSA-N 449.635 6.902 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Br)ccc1[C@@H](O)C#Cc1ccc(Cl)cc1 2230986694 NDVURXGMUVSJQA-SFHVURJKSA-N 436.733 5.535 30 10 IKEE C=C1C[C@@H]1C[C@@H](NCCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237414702 CXJHJVBVRNMJIA-MISYRCLQSA-N 437.422 5.219 30 10 IKEE C=C(C)CN(Cc1ccccc1)C(=O)c1cc(Cl)c(C)cc1B1OC(C)(C)C(C)(C)O1 2255543456 JGIPNQGKRXUJFA-UHFFFAOYSA-N 439.792 5.166 30 10 IKEE C=CCCC1(C(=O)c2c(C)ccc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2266279882 VWMYDNAPGOTUCA-UHFFFAOYSA-N 426.326 5.283 30 10 IKEE CCN(c1c(Br)cccc1C#N)[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 2285221218 SVGHOIHHCWBENB-FUHWJXTLSA-N 436.394 5.231 30 10 IKEE C=CC[C@]1(COc2nc(Cl)c(Cl)cc2Cl)CCCN(C(=O)OC(C)(C)C)C1 2287696975 HKWLPYASSBGDRR-IBGZPJMESA-N 435.779 6.014 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCC)c2cc(F)cc(Br)c2F)C1 2288488341 HMYNBCNEQJFEPY-KRWDZBQOSA-N 445.348 5.239 30 10 IKEE COc1cccc(C=C2SC(=Nc3ccc4ccccc4c3)N(C3CCCCC3)C2=O)c1 2297305278 PTZPIXCZGJHVMI-UHFFFAOYSA-N 442.584 6.785 30 10 IKEE Cc1scc(C(=O)N(Cc2ccccc2)CC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2303615896 RXVOUNGIIAGQPP-UHFFFAOYSA-N 427.419 5.044 30 10 IKEE Cc1cc(C=C2SC(=Nc3ccccc3)N(C3CCCCC3)C2=O)c(C)n1C1CCCC1 2313540654 NCUONQITRHPRGZ-UHFFFAOYSA-N 447.648 7.157 30 10 IKEE CCCCOc1ccc(C=C2SC(=Nc3ccncc3Cl)N(C)C2=O)cc1OC 2314541844 CKIOKWDMKVTGSS-UHFFFAOYSA-N 431.945 5.156 30 10 IKEE CCN1C(=O)C(=Cc2ccccc2OCc2ccc(Cl)cc2)SC1=Nc1cccnc1 2314541874 REKDEDIVCDVQPR-UHFFFAOYSA-N 449.963 5.938 30 10 IKEE CCOc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(CCC1=CCCCC1)C3 2322107775 WDIVWPYYWUTYRO-UHFFFAOYSA-N 445.559 6.052 30 10 IKEE COC(=O)c1c(C)oc(NC(=O)C(=Cc2ccc(OC(C)C)cc2)c2ccccc2)c1C#N 2322134227 GSDODNSROUDGJA-UHFFFAOYSA-N 444.487 5.213 30 10 IKEE COc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN([C@@H]2CCCC[C@@H]2C)C4)c(OC)c1 2322146143 GXVCSHURXFCNNR-HRAATJIYSA-N 449.547 5.359 30 10 IKEE Cc1ccc(CCN2COc3ccc4c(c3C2)OC(=Cc2cccc(Cl)c2)C4=O)cc1 2322220543 BSLLDNFLIFQUHS-UHFFFAOYSA-N 431.919 5.659 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCc3cccc(Cl)c3)ccc3ccccc23)cc1 2322450198 WNTUGCKXNCIRQR-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE CCc1ccc(NC(=O)COc2c(C=CC(=O)c3cccc(Cl)c3)cccc2OC)cc1 2322528044 BZAIQGSDPXFGRQ-UHFFFAOYSA-N 449.934 5.825 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc(C(C)(C)C)cc4)c3C)C2=O)cc1 2322737757 GQCXWDWNRFJXJV-UHFFFAOYSA-N 426.512 6.436 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)c1OCc1ccc(C)cc1 2322842745 YTWXRKWCIPUTAN-UHFFFAOYSA-N 448.990 7.366 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OCc3cccc4ccccc34)c2)cc1 2323130987 MUIIXSYOMSFTQC-UHFFFAOYSA-N 438.523 6.722 30 10 IKEE Cc1c(OC(=O)Cc2ccc(F)cc2)ccc2c1OC(=Cc1c(F)cccc1Cl)C2=O 2323228739 KJVZIGDHHLZBOT-UHFFFAOYSA-N 440.829 5.691 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc(C)c3C2=O)o1 2323303061 DUJJXXFNJPCKCG-UHFFFAOYSA-N 439.807 5.293 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OC 2323438187 CBFXUFFVKDQUPQ-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE CCCCCOc1ccc(C=Nn2c(S)nnc2Cc2cccs2)cc1OCC 2323556724 LXMYXCPKUXDIHY-UHFFFAOYSA-N 430.599 5.069 30 10 IKEE CC(C)c1ccc(C=C2Oc3cc(OC(=O)CCOc4ccccc4)ccc3C2=O)cc1 2323680016 YGBSBNUJLHDAMJ-UHFFFAOYSA-N 428.484 5.801 30 10 IKEE CCCOc1ccc(C=CC(=O)c2ccc(OCCC)c(OCCC)c2)cc1OCC 2323749723 BSDDIQNZADSDFX-UHFFFAOYSA-N 426.553 6.348 30 10 IKEE COC(=O)c1ccc(COc2c(Cl)cc(C=CC(=O)c3ccccc3)cc2OC)o1 2323802803 OTKJEPGPOFANSJ-UHFFFAOYSA-N 426.852 5.203 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C)cc2)C3=O)cc1 2323887661 OJNNMEYVLALZEL-UHFFFAOYSA-N 442.467 5.454 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)cc1C(C)C 2324262748 RJYHSYKLVNSDFY-UHFFFAOYSA-N 445.515 6.510 30 10 IKEE Cc1cc(C)c(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C)o2)C3=O)c(C)c1 2324332638 BVTZWZNRQOOYHU-IBGZPJMESA-N 445.515 5.844 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1cccs1)C2=O 2324345781 WQPOXHFPAJSYRC-QGZVFWFLSA-N 447.556 5.950 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2C)C3=O)cc1 2324454137 CANSCQBLNZKAFC-SFHVURJKSA-N 443.499 5.334 30 10 IKEE COc1ccccc1-c1csc([C@@H](C#N)C(=O)C(=Cc2ccccc2)c2ccccc2)n1 2324455529 KLTMDZUZLXKBQZ-QHCPKHFHSA-N 436.536 6.236 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2OC)C3=O)cc1 2324475329 ZJYRIPJJMBWWLT-QGZVFWFLSA-N 443.499 5.280 30 10 IKEE Cc1ccc(C)c(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(Cl)cc3Cl)n2)c1 2324561021 BIUBWBNOAXUTMM-SFHVURJKSA-N 427.356 6.623 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)ccc1OCc1ccccc1Cl 2324672860 YGMJLUWXCGRKQJ-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCCOc4ccc(OC)cc4)c3C)C2=O)cc1 2324676851 JAHYTEAWFVWHHA-UHFFFAOYSA-N 432.472 5.086 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@@H](C#N)C(=O)C=Cc2ccc(F)cc2)n1 2324774125 VWKLQKWVMMEPBO-KRWDZBQOSA-N 426.900 5.809 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2325513071 ZWDQVYUDJRYSQY-UHFFFAOYSA-N 447.923 5.496 30 10 IKEE Cc1ccccc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1cccc(Cl)c1)C2=O 2325713958 RFXMBOUVUMDYIL-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE O=C(C=Cc1cccc(OC(=O)C2(c3ccc4c(c3)OCO4)CC2)c1)c1ccc(F)cc1F 2325726406 MTXUCLGEWVRNDD-UHFFFAOYSA-N 448.421 5.227 30 10 IKEE CCCOc1ccc(C=Nn2c(CCCOc3ccc(C)cc3)nnc2SCC)cc1 2327175146 USBGDOVVQWZQOU-UHFFFAOYSA-N 438.597 5.381 30 10 IKEE C=CCSc1nnc(COc2ccc(C)cc2C)n1N=Cc1ccc(N(CC)CC)cc1 2328904104 APOUAZDSENLJAD-UHFFFAOYSA-N 449.624 5.480 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(F)c3)n2N=Cc2ccccc2F)cc1C 2329407740 ZNBTYYCJCDOFQX-UHFFFAOYSA-N 448.542 5.938 30 10 IKEE CCC(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1Br 2330808743 DAZXABOQIAXROK-UHFFFAOYSA-N 428.109 5.967 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccncc3)c(OCC)c2)cc1 2330842408 HPDSDKXFYVDTOC-UHFFFAOYSA-N 429.516 5.938 30 10 IKEE COc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2cccc3ccccc23)cc1 2330860215 AHRLNQJFOJEPJS-UHFFFAOYSA-N 444.604 6.203 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)cc3)cc2Cl)c1 2330965672 OJADZECZHHSPJH-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE CCCSc1nnc(C2CCCC2)n1N=Cc1ccc(OCc2ccccc2C)cc1 2331084228 DVDFQWHBDRNLBY-UHFFFAOYSA-N 434.609 6.207 30 10 IKEE CCCN(CCC)C(=O)CSc1nnc(C2CCCC2)n1N=Cc1ccc(CC)cc1 2331085409 CMJFQGRXTUXJDF-UHFFFAOYSA-N 441.645 5.121 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(-c2ccco2)n1N=Cc1ccccc1 2331216045 UZNLFEREEKLXNQ-UHFFFAOYSA-N 429.332 6.019 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)c1ccccc1 2331329026 PDZBTBHZMQVPOT-UHFFFAOYSA-N 426.512 6.156 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)c1cncc(C)c1 2331329857 OWQFGNAMMRPORU-UHFFFAOYSA-N 441.527 5.859 30 10 IKEE C=C(C)CSc1nnc(C2CCC2)n1N=Cc1ccc(OCc2ccccc2C)cc1 2331517794 YZKYKWVMVNNREQ-UHFFFAOYSA-N 432.593 5.983 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 2331540102 HIAVEPGYDMNRFH-UHFFFAOYSA-N 435.407 5.166 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CCC2)c1 2331541632 RGEYLCLMEKCBDW-UHFFFAOYSA-N 441.000 6.162 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)c1cccc(C)c1 2331554705 BLKNZRPRZZLBNL-UHFFFAOYSA-N 442.845 6.051 30 10 IKEE COCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1cccc(F)c1 2331611879 UFBQGDMPTFVTDQ-UHFFFAOYSA-N 425.316 5.045 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccccc2CC)n1N=Cc1ccc(C(C)C)cc1 2331635359 QYPQTNXSBDWDCI-UHFFFAOYSA-N 449.624 5.529 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OC(=O)CC(C)C)c(Br)c2)c1C 2331646760 GFGZFKNDWFUWCN-UHFFFAOYSA-N 443.381 6.530 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)cc2[N+](=O)[O-])cc1 2331648894 VTIACAGNZCBDPM-UHFFFAOYSA-N 443.499 6.252 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)CC(C)(C)C)c([N+](=O)[O-])c1 2331665414 WVLJLJGCRDUCDA-UHFFFAOYSA-N 425.481 5.458 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)Cc1ccccc1[N+](=O)[O-] 2331712833 RBTVOHUPMXPFTH-UHFFFAOYSA-N 445.471 5.264 30 10 IKEE Fc1cccc(CSc2nnc(C3CC3)n2N=Cc2cc(Br)ccc2F)c1 2331733933 FTWJJDNMVHCWES-UHFFFAOYSA-N 449.324 5.371 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1Cl 2331812341 DEXGFAFHCZKNJC-UHFFFAOYSA-N 441.738 6.647 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1Cl 2331818714 AIOZNMMKBAHVIM-UHFFFAOYSA-N 448.946 6.761 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2OC)ccc1OC(=O)Cc1ccccc1 2331885074 KHRYXFABUNZPLO-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE CCN[C@@H](C#Cc1cccs1)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2338248681 LMLARXGNJAGNQR-SFHVURJKSA-N 435.387 5.560 30 10 IKEE CC[C@H]1CCC[C@](C#N)(Cc2ccc(I)c(Br)c2)C1 2349878160 NMKAHEZERYEPPL-BLLLJJGKSA-N 432.143 5.706 30 10 IKEE CN(c1cc(Br)c(C#N)cc1F)[C@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]12 2357061908 PSDUOWBDMZVXHO-DKXUYOFUSA-N 429.333 5.280 30 10 IKEE CC(C)[C@@H]1CN(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN1Cc1ccccc1 2365053691 GLOZNMUBEOAQMG-DEOSSOPVSA-N 447.432 5.073 30 10 IKEE Cc1csc(CNc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)c1Br 2365115508 LLEXKIVZFULVGW-CMDGGOBGSA-N 435.196 5.471 30 10 IKEE COc1c(O)cccc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2367226324 ITVVNGAOAMGIEE-MRXNPFEDSA-N 433.302 5.170 30 10 IKEE CCCCCCCOc1ccc(C2=N/C(=C/c3ccc(Br)cc3)C(=O)O2)cc1 2025359 MKPJCXUHQAICEA-LTGZKZEYSA-N 442.353 6.143 30 10 IKEE Cc1ccc(-n2c(S[C@H](C)C(=O)Nc3cccc(C#N)c3)nnc2-c2ccccc2)cc1 11196633 VHZSWEALYYCWPQ-GOSISDBHSA-N 439.544 5.234 30 10 IKEE C=CCOc1ccc(C(=O)Nc2cccc(OCc3ccccc3)c2)cc1Br 14783628 QRODLKLNDKXUMW-UHFFFAOYSA-N 438.321 5.845 30 10 IKEE C=CCN1C(=O)[C@H](CC(=O)c2ccc(OC)cc2)S/C1=N\c1cccc2ccccc12 15055340 OSFUNMCFPKSQOK-YRZCPYHYSA-N 430.529 5.239 30 10 IKEE COc1ccc2c(c1)CC/C(=C\c1csc(N(C(C)=O)c3c(C)cccc3C)n1)C2=O 15188935 QMLKSVOOSAMSHZ-XDHOZWIPSA-N 432.545 5.666 30 10 IKEE COc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cc(F)ccc1F 20883606 GWKGQVCTOONWKY-WZQKQDCOSA-N 432.470 5.953 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Br)cc2)ccc1OC(=O)c1cccs1 34955161 VSKAHNCGFCIRRX-ONNFQVAWSA-N 443.318 5.635 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(OCC)cc2)S/C1=N/c1nc(-c2ccccc2)cs1 39865919 JLDFXFLIJVXZTC-SYUAUQEVSA-N 447.585 5.999 30 10 IKEE COc1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2ccc(C(C)C)cc2)C4=O)cc1 41655222 JDERFQUVGOGLPB-WGARJPEWSA-N 441.527 5.787 30 10 IKEE CCCCCCCCCCCn1c([C@H](C)NC(=O)c2cccc(C)c2)nc2ccccc21 102112360 DTAHMOHRFAIUMB-QHCPKHFHSA-N 433.640 7.367 30 10 IKEE Cc1nn(-c2nc(-c3ccc(Cl)cc3)cs2)c(O)c1[C@@H](c1ccccc1)C(C#N)C#N 105572992 RUXMLWBBYIQNAM-NRFANRHFSA-N 445.935 5.458 30 10 IKEE CCCCCCCC/N=C\c1c(-c2ccccc2)[nH]n(-c2nc3ccccc3s2)c1=O 110868960 BZMWYDKERIYUOH-ITYLOYPMSA-N 432.593 6.222 30 10 IKEE CCCOc1ccc(/C=N\n2c(CCC)nnc2SCc2ccc(Cl)cc2)cc1 135879896 USZMVILPKUGWLO-IWIPYMOSSA-N 428.989 5.847 30 10 IKEE C=CCn1c(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)c(C)c2cc(C(C)C)ccc21 169870103 TWQSWHFGMWSYPL-UHFFFAOYSA-N 435.782 7.472 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3ccc(Cl)cc3)cs2)cc([N+](=O)[O-])c1OC 169942242 SWFXZVPHXBQPCD-FBHDLOMBSA-N 432.889 5.225 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(N(C)C)cc2)c1 169953309 VEONMOZQCMAYQT-XMMPIXPASA-N 426.516 5.152 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccc(F)cc2F)c1 169971268 KGLYGSDWINOMHS-QHCPKHFHSA-N 445.421 5.802 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@H]2c2cccs2)s1 169986407 MATPTYHYXCBNKF-FQEVSTJZSA-N 446.553 5.758 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@@H]2c2ccccn2)cc1C 169992180 FMERKROONSEXLP-XMMPIXPASA-N 440.543 5.779 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1cccc(O)c1)c1ccc(Cl)cc1 170079894 LRAADFUCJQUQBZ-FQEVSTJZSA-N 441.817 5.107 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cn(C)c3ccccc23)c1 170085627 GQNRFWCEWSCNLE-DEOSSOPVSA-N 444.531 5.098 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(O)cc1)c1ccc(Cl)c(Cl)c1 170138421 OFAMHNYHXYJTIE-IBGZPJMESA-N 432.303 5.220 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1cccc(C)c1 170141117 PVRSSRNWBJPWSM-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc(C)c2)ccc1Cl 170145229 DYPJIPAPMLCFMG-JOCHJYFZSA-N 439.939 5.568 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2cccs2)cc1 170157082 URRQHXMMIMVFOJ-QFIPXVFZSA-N 431.513 5.028 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccs2)cc1 170157086 AGLNJQMBCCIWIJ-CMJOXMDJSA-N 445.540 5.417 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(OC)c3)=C(O)C(=O)N2CCC)cc1 170215545 SAWFMSVTLYFOHV-NRFANRHFSA-N 443.927 5.126 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccccc1)c1ccc2ccccc2c1 170226620 MVWPGHGAJZZZCB-XMMPIXPASA-N 439.898 6.276 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccc(F)cc2)c1 170239143 DORGKLUVBWUECX-HSZRJFAPSA-N 447.462 5.101 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(C(C)C)cc1 170245218 XGFITGGNLXBKNV-VWLOTQADSA-N 431.576 6.067 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cccc(O)c1)c1cccc2ccccc12 170261849 FSZLYTZDMIEKND-DEOSSOPVSA-N 427.500 5.456 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccco2)c(C)c1 170289533 DOYIQUDVTHWPOH-WAIKUNEKSA-N 429.472 5.003 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(C)o1 170304130 IFVBCPMYUJFVGI-JOCHJYFZSA-N 429.428 5.126 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1c1ccc(C)c(Cl)c1 170335614 RBSGHEJUCBAYFH-HXUWFJFHSA-N 439.920 5.501 30 10 IKEE CCCOC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccccc2)c1 170372940 UJCFDRXBXSZEPG-NRFANRHFSA-N 447.512 5.098 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2ccc(Cl)cc2)cc1 170453688 ZOJCDTPFMLTKQN-OAQYLSRUSA-N 426.944 5.311 30 10 IKEE CCOc1cc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(C(C)C)cc2)ccc1O 170463699 BXBILAWNMMWJLG-DEOSSOPVSA-N 437.536 5.430 30 10 IKEE Cc1ccc(N=CC2=C(c3ccccc3)Oc3ccccc3[C@H]2c2ccccc2C)c(C)c1 254386747 WWKCWJDSPSBYRA-SSEXGKCCSA-N 429.563 7.950 30 10 IKEE O=c1c2c(-c3ccccc3)csc2ncn1N=Cc1c2ccccc2cc2ccccc12 254841434 VTLQNOGJAOMSJU-UHFFFAOYSA-N 431.520 6.314 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3cccc4ccccc34)[C@H]2c2ccc(O)c(O)c2)cc1 526491049 JWEYQTXOCWDRRY-RUZDIDTESA-N 434.451 5.180 30 10 IKEE CCCCCOc1ccc(/C=N\n2cnnc2SCc2ccc(F)cc2)cc1OCC 526801216 GBRJFTQYRUYRJE-YSMPRRRNSA-N 442.560 5.559 30 10 IKEE CCOc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccccc2F)cc1 526803780 NADVDUPVLXFDEU-PKAZHMFMSA-N 446.551 5.581 30 10 IKEE CCCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1cccc(F)c1 526814177 AYYDVHFSPGJIKD-MSXFZWOLSA-N 437.371 6.241 30 10 IKEE CCCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccccc2Cl)cc1OC 526816859 OZTZSCUTSAMXKB-OYKKKHCWSA-N 444.988 5.466 30 10 IKEE CCc1nnc(SCc2cccc(C(=O)OC)c2)n1/N=C\c1c(Cl)cccc1Cl 526826609 YGHQXYQCAZETHS-KSEXSDGBSA-N 449.363 5.108 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(CCC(C)C)Cc2cccc(C#N)c2)cc1 586181324 PKMQLNIOQUYDBZ-UHFFFAOYSA-N 426.626 5.918 30 10 IKEE Cc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2ccc(N3CCCC3)cc2)cc1C 586211504 KRHSXFRJPNZWPY-UHFFFAOYSA-N 445.588 5.171 30 10 IKEE CCCCc1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2cccc(Cl)c2)cc1 586219768 IZLJCUCCJAKPLH-UHFFFAOYSA-N 438.980 5.950 30 10 IKEE CCCCCCC[C@H](C(N)=O)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 698456818 JENSKBBDBKKULE-QGZVFWFLSA-N 427.383 5.405 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCSc2ccccc21 698457743 RBYQLGQFUNDMNY-OAQYLSRUSA-N 445.382 6.105 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1 698470984 WZTZILPYFXGPSQ-KOSHJBKYSA-N 429.561 5.418 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@H](C#N)c1cc(Br)ccc1F 698958300 PNIZTDZDSLDHIJ-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE CCCCCCCCCC[C@H](NC)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 705506786 TUQHQYQKVXBVEF-VJTSUQJLSA-N 448.692 6.604 30 10 IKEE COc1ccc(-c2nc(SCc3ccc(Br)c(C)c3)nc(O)c2C#N)cc1 799879701 MGORBZKGCLWEAQ-UHFFFAOYSA-N 442.338 5.093 30 10 IKEE CC(=NNc1nc(S[C@H](C)c2nnc(C3CCC3)o2)n[nH]1)C12CC3CC(CC(C3)C1)C2 1083907005 HBYRDZPCJFGBFR-XFTCLFNRSA-N 441.605 5.313 30 10 IKEE Oc1ccc(Cl)cc1C=Nc1cc(C(F)(F)F)ccc1N1CCc2ccccc2C1 1083976172 UTVVWCGRQAIDEF-UHFFFAOYSA-N 430.857 6.378 30 10 IKEE O=S(=O)(NC1CCCCC1)c1ccc(N=Cc2cccc(OCc3ccccc3)c2)cc1 1084613918 BPILDYSVUQTGQZ-UHFFFAOYSA-N 448.588 5.627 30 10 IKEE Oc1ccc(CC/N=C(/NCc2cccs2)Nc2cc(-c3ccccc3)ccc2O)cc1 1088735275 FZBOLRAGXSRSMP-UHFFFAOYSA-N 443.572 5.627 30 10 IKEE Cc1c(C(=O)Nc2ccccc2)oc2c1C(=NNc1cccc(C(F)(F)F)c1)CCC2 1772750521 CMTMTMQLRTXMQK-UHFFFAOYSA-N 427.426 6.012 30 10 IKEE CC(C)c1ccc(NC(=S)N/N=C\c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 1857810970 GOAMCYDFVNDUKK-PKAZHMFMSA-N 439.588 5.983 30 10 IKEE N#Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)n(Cc3cccc(Cl)c3)n2)cc1 1859388518 JJZVXQHSVGNAOB-UHFFFAOYSA-N 447.325 6.029 30 10 IKEE C=CCN(C(=O)c1ccc(I)cc1)C1CCC(C(C)(C)C)CC1 1860017816 VQUPEZJCQKTAAL-UHFFFAOYSA-N 425.354 5.524 30 10 IKEE CCCCCCCCNC(=O)[C@H](CC)NC(=O)c1ccc2nc(-c3cccc(C)c3)[nH]c2c1 1861442161 SESWZSHXPLBDQM-QFIPXVFZSA-N 448.611 5.523 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 1861821458 MDBNKHJCZBRQLT-SFHVURJKSA-N 425.957 5.014 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccccc1C 1862412222 ZHBOTSOFWKIDQU-HSZRJFAPSA-N 441.518 6.212 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCc2cnc[nH]2)cc1 1862447348 NXWNBUHLDHBCAC-JOCHJYFZSA-N 449.938 5.008 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccccc1F 1862457224 LINQAHDGYWYDHP-FQEVSTJZSA-N 435.417 5.402 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2cccc(C)c2)cc1 1862476031 ZVTPVDIFZDJSRT-QHCPKHFHSA-N 431.919 5.735 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2Cl)cc1 1862476495 LOONZHUBJHSNHT-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862476760 DWZLQHJELIKXJG-VWLOTQADSA-N 440.543 5.945 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(C(C)C)cc2)c1 1862491735 ZUMVHDILZBUXKU-VWLOTQADSA-N 431.576 6.338 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2c(Cl)cccc2Cl)ccc1F 1862508957 UMDBGZCPOFLQII-HXUWFJFHSA-N 448.321 5.962 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc3ccccc23)cc1 1862530982 CMOMHZNMQGUJQB-AREMUKBSSA-N 448.522 5.576 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 1862538716 KRENYINWTPAZAD-FQEVSTJZSA-N 431.454 5.502 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2cccc(Br)c2)cc1 1862540657 SGYIXSAHSRGVJK-HXUWFJFHSA-N 442.353 5.246 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc(F)c1)c1cccc2ccccc12 1862650548 YFPWGVHMKRCCGL-DEOSSOPVSA-N 438.458 5.152 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccc2ccccc12 1862667048 RIYIHSWLIJJTFX-RUZDIDTESA-N 443.543 5.578 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 1862690228 KBNMMVBGYIGWKK-ORAYPTAESA-N 433.426 5.091 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(F)cc1F)c1ccc2ccccc2c1 1862712566 UJQHIFTXNLULDJ-HSZRJFAPSA-N 445.421 5.490 30 10 IKEE COc1ccc(C2=C(Nc3cccc4ccccc34)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862961685 HERLLOCDRSQVCL-UHFFFAOYSA-N 445.478 5.117 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(Nc2ccccc2C#N)=C(c2ccccc2OC)C1=O 1863436349 DZAGURPSEHDLDP-IBGZPJMESA-N 431.536 5.118 30 10 IKEE C=CCN1C(=O)C(N[C@H](C)c2ccc(CC)cc2)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863632987 GAJMAKMSMIJPLZ-CQSZACIVSA-N 429.347 5.173 30 10 IKEE CCOC(=O)c1sc(NC(=O)C(C)(C)c2ccc(Cl)cc2Cl)c(C#N)c1C 1866226719 JGZVWMPWDLSZMD-UHFFFAOYSA-N 425.337 5.328 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 1868185415 MNDXTHPSKACNIS-UHFFFAOYSA-N 429.026 5.141 30 10 IKEE Cc1ccc(-c2nc(Nc3ccccc3C#N)cc(N3CCO[C@H](c4cccnc4)C3)n2)cc1 1868327362 SPQSPMWCPKPYFM-DEOSSOPVSA-N 448.530 5.040 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)Cc2cccc3ccccc23)n(-c2ccc(C)cc2)n1 1870001336 ZNQXEWRLIRRHMK-UHFFFAOYSA-N 437.547 5.089 30 10 IKEE CCCCCCCCn1cc(OCCOC(C)C)c(=O)cc1CSCc1ccccc1 1870293220 NBCZPSKLFOJZGD-UHFFFAOYSA-N 445.669 6.446 30 10 IKEE O=C1/C(=C/c2ccccc2OC(F)F)Oc2c1ccc1c2CN(CCc2ccccc2)CO1 1871344831 YNLRECFJLGGPRG-UCQKPKSFSA-N 449.453 5.299 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc3c(c2C)O/C(=C\c2cccs2)C3=O)cc1 1871367113 YYNRRMAAHXCIIP-BKUYFWCQSA-N 436.485 5.056 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc(C)c3C2=O)c1 1871374868 HGKISIGQMIQGSH-JJFYIABZSA-N 445.427 5.056 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccs2)C3=O)c1 1871389435 VZBMKYJPDLWMDH-MOSHPQCFSA-N 434.469 5.207 30 10 IKEE CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871408702 YXEJWVBJLHQCHM-NQRZERFFSA-N 447.487 5.317 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(O[C@@H](C)C(=O)Nc3ccc(Cl)cc3)ccc2C1=O 1871414906 RSJQSERLMZGKHN-GQFJFNLSSA-N 439.920 5.732 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(Cl)cc2F)cc2c1C(=O)/C(=C/c1ccccc1)O2 1871440201 CDPTVEQLMFRVMZ-FBHDLOMBSA-N 437.854 5.421 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OCC(=O)Nc3c(C)cccc3C)cc(C)c2C1=O 1871440313 ITXPRCYFOIVYGA-NDENLUEZSA-N 433.529 5.615 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4C(C)C)ccc3C2=O)c1 1871455962 FWXWOGMUDDFBPM-QFEZKATASA-N 443.499 5.452 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3cccc(C)c3)ccc2C1=O 1871456176 QHNNSPFPVPFMMW-OYKKKHCWSA-N 429.472 5.027 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccc(C)c(C)c4)c3C)C2=O)cc1 1871460045 RVDGOJDYBZVCMO-MYYYXRDXSA-N 441.527 5.808 30 10 IKEE C=CCN(CC=C)c1nc(=NCCCCC)nc(Nc2ccc(Oc3ccccc3)cc2)[nH]1 1871510801 ZEBHVDJSPKOSID-UHFFFAOYSA-N 444.583 5.610 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccccc1C(C)C)[C@H](C)CC)S(=O)(=O)c1cccs1 1872462758 ZQXSWPJZJVRWIX-UTKZUKDTSA-N 434.627 5.102 30 10 IKEE N#C[C@H](C(=O)c1c(F)cccc1Cl)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872769943 DOXNSIUTIKXEMY-SNVBAGLBSA-N 425.699 6.399 30 10 IKEE CCOc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1 1872783736 GRPWOQZCWPYYLH-GOSISDBHSA-N 440.952 5.598 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccccn2)=C(c2cccc(OC)c2)C1=O 1873041878 WIUNMZLITMMJJY-UHFFFAOYSA-N 449.595 5.101 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCC)=C(c2cccc(Br)c2)C1=O 1873052605 NTNMJXKFNBJDOU-UHFFFAOYSA-N 449.433 5.669 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2[C@@H](C)CC)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873276405 FXGGBBGAZCQATK-FQEVSTJZSA-N 436.555 6.245 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1c(C)nn(C)c1C 1873501312 ZWOKDTJLDAVZHQ-LSHDLFTRSA-N 437.400 5.062 30 10 IKEE CCCCCCCCCCNc1ncnc2c1ccc(=O)n2-c1ccc(F)c(Cl)c1 1873540184 AFFIWCXXFWGSSL-UHFFFAOYSA-N 430.955 6.126 30 10 IKEE C=CCSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1ccc(C)cc1 1874198452 CCRHAEBTKPDASH-ZXVVBBHZSA-N 442.588 5.912 30 10 IKEE Cc1cccc(CSc2nnc(CCOc3ccccc3)n2/N=C/c2cccs2)c1 1874344883 JQOSZBRVFNRPPG-LFVJCYFKSA-N 434.590 5.444 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2ccc(O)cc2)cc1C 1874357335 BKUOWSZMILROSH-JVWAILMASA-N 442.588 5.674 30 10 IKEE Oc1cccc(/C=N/n2c(SCc3ccccc3F)nnc2-c2ccccc2Cl)c1 1874365526 HBXVBJAWKCLWIC-DHRITJCHSA-N 438.915 5.618 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3cccc(C)c3)nnc2-c2ccccc2Cl)c1 1874366428 VMFILZGFFWUZJQ-CVKSISIWSA-N 432.980 6.390 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2sccc2C)cc1 1874387602 VPMYLJGPTFEOKH-MFKUBSTISA-N 432.618 6.030 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SC)nnc2[C@@H](C)c2ccccc2)cc1OCC 1874391416 GLDPSAMHHIFQLB-WLXKGNRNSA-N 438.597 5.612 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2F)n1/N=C/c1ccc(F)cc1 1874395607 QOHRXBHTSBDSEO-VSWHYLHOSA-N 434.515 5.883 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCc3ccccc3C)nnc2C2CCCC2)cc1 1874452375 RYVRSJJXKUKOCZ-OVVQPSECSA-N 448.636 6.598 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccccc3F)nnc2C2CCCC2)c(OC)c1 1874455685 FZPZXFNVUMWOEL-AFUMVMLFSA-N 440.544 5.267 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCCC3)n2/N=C/c2c(F)cccc2Cl)c1 1874455737 IPWNZMFLICYCJI-LGJNPRDNSA-N 442.991 6.520 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C2CCC2)cc1 1874494594 UUPFNUGCJKATRC-ZVHZXABRSA-N 435.553 5.752 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CCC2)cc1 1874497507 MWHUCRZSIUOQMK-DHRITJCHSA-N 445.419 6.589 30 10 IKEE CCCCOc1ccc(/C=N/n2c(S)nnc2Cc2ccc(C)c(C)c2)cc1OCC 1874562274 LQUNBFZEPFFUHZ-PCLIKHOPSA-N 438.597 5.234 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccccc2)c1OCC(=O)N[C@@H](C)c1ccccc1 1874578589 WJFJMOWMLJWEHB-JKGDOXCYSA-N 449.934 5.501 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2c(Cl)cccc2Cl)c(C)c1 1874578865 KQDQSVVFOCRPIT-JXMROGBWSA-N 445.773 7.739 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccccc2OCC(=O)Nc2cc(C)ccc2C)c(C)c1 1874589974 MMVCLDGAQQDNJV-OUKQBFOZSA-N 427.544 6.142 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1OCC(=O)Nc1ccccc1 1874599681 YZLKANPBOSPKGQ-ZRDIBKRKSA-N 445.515 5.234 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1Cl)Nc1nccs1 1874613412 SJZLYJDMQMIFIN-LREOWRDNSA-N 433.316 5.364 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(OC)c1OCc1ccccc1F 1874614088 DCTBIRGEBQXUMQ-NTEUORMPSA-N 436.910 6.691 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)c1OCC(=O)Nc1ccccc1 1874615262 OLDSCQQGZXGOEB-ZRDIBKRKSA-N 449.934 5.879 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Cl)c(Cl)c1 1874615700 MBPLGEUYURPJGO-LFYBBSHMSA-N 428.271 6.377 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)c1OCc1ccccc1F 1874617781 SYKRSQPZYRGCHH-ZRDIBKRKSA-N 438.926 6.970 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc(Cl)c1OCCCO 1874627056 JOOYYPJTCHAPEX-CMDGGOBGSA-N 446.971 5.836 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCc3cccc(C)c3)c(Cl)c2)cc1C(C)C 1874627618 XOPOQMXCIBLRGQ-PKNBQFBNSA-N 448.990 7.564 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OCc1cccc2ccccc12 1874627711 SCSVJDJGZRDSJK-GXDHUFHOSA-N 444.477 6.992 30 10 IKEE CCCOc1c(OCC)cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1[N+](=O)[O-] 1874635216 IAVPCKPYIQQESV-ZRDIBKRKSA-N 425.525 6.284 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1cc(Cl)ccc1Cl 1874637543 GBMFTMDFNTVBHH-LFYBBSHMSA-N 428.271 6.377 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3cc(Cl)ccc3Cl)cc2)o1 1874637781 RDQIQANMWJOYGT-VZUCSPMQSA-N 445.298 6.238 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OC(=O)CCCOc1ccccc1 1874698698 JVJQFAZRQIDHSC-JQIJEIRASA-N 446.499 5.365 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OC(=O)CCCOc1cccc(C)c1 1874710347 XTKUDZMYHNGMND-RIYZIHGNSA-N 448.490 5.803 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OC(=O)COc1ccccc1 1874716565 YLUXVCMCFZWGGH-ZRDIBKRKSA-N 430.500 5.501 30 10 IKEE COc1ccccc1CC(=O)Oc1cccc(/C=C/C(=O)c2cc(Cl)ccc2OC)c1 1874717758 BTETYQYEAJYMNY-ZRDIBKRKSA-N 436.891 5.401 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccccc3Cl)c2)c2ccccc12 1874718871 OJIBTBUHOLWUDY-FYWRMAATSA-N 442.898 6.617 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)CC1CCCCC1 1875140893 CWKTUMSMQXHHMY-FMIVXFBMSA-N 440.511 5.923 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(OC)ccc2OC)ccc1OC(=O)c1ccc(C)cc1 1875147538 YNKPPVZIPBCKHO-MDWZMJQESA-N 446.499 5.526 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(Cl)cc3)cc2)cc1 1875148967 RJGWQEJOLWLTND-CAOOACKPSA-N 432.947 6.682 30 10 IKEE CCc1ccc(C(=O)Oc2c(Cl)cc(/C=C/C(=O)c3ccc(F)cc3)cc2OC)cc1 1875157745 MRKFGOIASCNCLY-AWNIVKPZSA-N 438.882 6.165 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)Cc1cccs1 1875171954 VQSUUNFIAONPRY-VQHVLOKHSA-N 436.529 5.426 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)C(C)C)c(Br)c2)cc1C 1875187937 JWXNRHRQICXQRJ-SOFGYWHQSA-N 431.326 5.532 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N(CCC)CCC)n2CCCC 1875212209 FKJCOOUVEHKSIR-UHFFFAOYSA-N 429.653 6.266 30 10 IKEE C[C@H](C(=O)N1CCC(COc2cc(C#N)ccn2)CC1)c1ccc(-c2ccccc2)c(F)c1 1891452048 QCILMHCHZLQXFE-IBGZPJMESA-N 443.522 5.180 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)[C@H](CNC(=O)OC(C)(C)C)CCCC12CCC2 1924816201 BXCUPJLJTRIGFP-MHPIHPPYSA-N 449.636 5.779 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(C(=O)OC(C)(C)C)[C@@H]3CCC[C@@H]32)c1 1926541880 LKLRZMZQVPGMNZ-WZOHSFFVSA-N 441.572 5.418 30 10 IKEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@]1(C#N)CCN(Cc2ccccc2)C(C)(C)C1 1992876190 OBOXJXUJSZRBRX-OAQYLSRUSA-N 425.495 5.123 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1C[C@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 2001938292 JVGYJDPGKIERTO-YADARESESA-N 435.609 5.628 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCC2)CC12CCCC2 2018642908 NCBRUEFJKKJDKI-XMMPIXPASA-N 433.593 5.382 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(Cl)cccc1Br 2028852875 UDVZRRVGRNUGEQ-RDJZCZTQSA-N 429.786 5.060 30 10 IKEE CCC[C@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(OC)c1 2033622522 BWOUABBYOISHDH-XLIONFOSSA-N 447.576 5.270 30 10 IKEE CC[C@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)CN1C(=O)OC(C)(C)C 2040671313 OYAJLXGKXGMIFV-UQBPGWFLSA-N 449.636 6.018 30 10 IKEE FC(F)(F)C(=NC1(C(F)(F)F)Oc2ccccc2O1)Oc1ccc2ccccc2c1 2042453688 YIPXFLFQKYYGPY-UHFFFAOYSA-N 427.300 5.867 30 10 IKEE COc1ccc(C=Cc2cc(-c3cccc(C)c3)n3c(nc4ccccc43)c2C#N)cc1O 2053621305 ADWRCEXNXIKKCJ-UHFFFAOYSA-N 431.495 6.219 30 10 IKEE C#CC[C@@H](C[C@@H](N)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C1CC1 2076080361 WMONKYBIXWSVHW-AHKZPQOWSA-N 425.572 6.284 30 10 IKEE CCCOc1ccc([C@H](C2CCC2)n2nc(C3CC3)c(C=NO)c2Br)cc1 2080060045 FOUFXVLMNWVHHL-FQEVSTJZSA-N 432.362 5.509 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@](C)(NC(=O)OC(C)(C)C)C1CCCCC1 2083688558 MIPJNAQKECYYEE-IGKIAQTJSA-N 444.660 5.991 30 10 IKEE CC1(C)CC[C@H](CNc2ccc(C#N)c(Br)c2F)N(C(=O)OC(C)(C)C)C1 2162383298 KXPSDGQNUAHDCW-CQSZACIVSA-N 440.357 5.297 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@@H](Nc3cc(Br)ccc3C#N)C[C@@H]21 2166985132 SJFHYUVKGVYQBY-BJZITVGISA-N 434.378 5.301 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@@H](Nc3ccc(C#N)c(Br)c3)C[C@@H]21 2166985925 WQRKBCFGRLXZSO-BJZITVGISA-N 434.378 5.301 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCC[C@H]2CCCC[C@@H]21 2201123378 PKZVAEXNNDQODO-WVBUVRCRSA-N 433.390 6.443 30 10 IKEE C=CCCCCCCC[C@@H](N)c1ccc(I)c(Br)c1 2227290696 JNDKMKXPGLJNJE-MRXNPFEDSA-N 436.175 5.970 30 10 IKEE CCCCCCC[C@@H](O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229115778 YTCLUYXUOZIHMK-RTBURBONSA-N 428.411 5.606 30 10 IKEE CC(C)(C)OC(=O)N[C@H](CC(=O)C#Cc1ccccc1Br)c1ccccc1 2235718046 KXOJJPGGIXTSRK-HXUWFJFHSA-N 428.326 5.026 30 10 IKEE CN[C@H](C#Cc1ccccc1Br)c1ccc(C)c(NC(=O)OC(C)(C)C)c1 2235725692 DQOWXBYRIXNRJD-LJQANCHMSA-N 429.358 5.417 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@]1(NC(=O)OC(C)(C)C)C[C@H]2CCCC[C@H]21 2250725938 KLERPAVUECNLHS-ONJIFJTESA-N 428.617 5.211 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(C)c(Br)c1 2278359267 JXJULLDHYGRCBO-RTBURBONSA-N 425.411 5.658 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1c(F)cccc1Br)NCCC 2289755199 ZGUUCAHLKDWZJZ-MOPGFXCFSA-N 443.401 5.358 30 10 IKEE Clc1ccccc1C=CC=Nc1ccc2oc(-c3cccc(Br)c3)nc2c1 2297219711 BTYMLZPPNWAYDA-UHFFFAOYSA-N 437.724 7.326 30 10 IKEE O=[N+]([O-])c1ccc(C=CC=Nc2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)cc1 2297550361 STGFLQQPRKQMFK-UHFFFAOYSA-N 438.270 7.126 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@H](C#N)[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 2304185395 BJFBZIRKRHTPHK-ZWKOTPCHSA-N 447.601 5.167 30 10 IKEE C=CCC(CC=C)[C@H](NCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2316686066 OLHLTAHSIYFPMD-DEOSSOPVSA-N 441.660 5.292 30 10 IKEE CCOc1ccccc1C=Nn1c(CCc2ccccc2)nnc1SCc1ccccc1 2318574628 OSCHGYMMBQGZQW-UHFFFAOYSA-N 442.588 5.637 30 10 IKEE COc1ccc(C=NNc2ccc(Br)cc2)cc1OCc1cccc(Cl)c1 2321717902 HPUJTFGUMQFGNW-UHFFFAOYSA-N 445.744 6.136 30 10 IKEE COC(=O)c1ccc(COc2cc(C)c3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)cc1 2321859632 MKONAUYGLMVLPD-UHFFFAOYSA-N 443.499 5.043 30 10 IKEE COC(=O)c1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN([C@H]2CCCC[C@@H]2C)C4)cc1 2322153286 WMFHYOJNZHXMNG-KKSFZXQISA-N 447.531 5.128 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1c(Cl)cccc1Cl)C3=O)CN(C[C@H]1CCCO1)CO2 2322307733 VBTDDGCWLRVMCV-OAHLLOKOSA-N 446.330 5.249 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1 2322687687 UKZUUWDSGDQBDS-UHFFFAOYSA-N 428.484 5.962 30 10 IKEE O=C(C=Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccc2c(c1)OCO2 2322698748 INGTZCBWOBFWKV-UHFFFAOYSA-N 442.898 6.697 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(Cl)cc2C=CC(=O)c2ccc(F)cc2)c1C 2322748592 FZBHRMPKZHAMNB-UHFFFAOYSA-N 437.898 6.010 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1OCc1c(F)cccc1Cl 2323047430 JICVOTFNVZBZBO-UHFFFAOYSA-N 446.905 7.116 30 10 IKEE O=C(C=Cc1ccc(OCc2c(F)cccc2Cl)cc1)c1ccc(-c2ccccc2)cc1 2323341803 OQCZXJQVJGTHOO-UHFFFAOYSA-N 442.917 7.621 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc3C2=O)cc1 2323628699 XBWAKLVARWSZKO-UHFFFAOYSA-N 444.483 5.565 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1 2323921361 PHJJQNXHMQPRLW-NRFANRHFSA-N 443.543 5.628 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OCc3ccc(F)cc3)c(OC)c2)cc1F 2324109999 JJHABVFURILEOX-UHFFFAOYSA-N 440.442 5.466 30 10 IKEE CCCOc1c(OCC)cc(C=CC(=O)c2ccc(OCC)cc2OCC)cc1[N+](=O)[O-] 2324494578 FFOCNNUMTYGLEG-UHFFFAOYSA-N 443.496 5.476 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OCc3ccccc3C)c(Br)c2)c(C)c1 2324553342 CZAMIGQHXPRFEA-UHFFFAOYSA-N 449.388 7.158 30 10 IKEE Cc1ccccc1OCCCCOc1ccc2c(c1)OC(=Cc1ccc3c(c1)OCO3)C2=O 2324598596 NBSIXELWGUHULP-UHFFFAOYSA-N 444.483 5.578 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OCCCCOc4ccccc4C)c3C)C2=O)c1 2324599029 HWJNTSBCWXXGOA-UHFFFAOYSA-N 444.527 6.166 30 10 IKEE CCCOC(=O)[C@@H](CC)Oc1cc(C)c2c(c1)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2325092363 FWZXRZWQVIJKLX-GOSISDBHSA-N 449.330 6.029 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCCC(=O)OCCC(C)C)cc(C)c3C2=O)cc1 2325104114 IROGKGHPLBBGJK-UHFFFAOYSA-N 438.520 5.368 30 10 IKEE CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1 2325424379 QQBXUDJRWLQGSR-MRXNPFEDSA-N 445.446 5.051 30 10 IKEE C(=Nn1c(CCc2ccccc2)nnc1SCc1cccc2ccccc12)c1ccncc1 2325457220 BLCNKCSVTYJDTO-UHFFFAOYSA-N 449.583 5.786 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC(=O)CCc3ccc(OC)cc3)c2)cc1 2325712591 CLPUILNPSXHTLP-UHFFFAOYSA-N 442.555 6.472 30 10 IKEE Cc1cccc(COc2ccc3c(c2C)OC(=Cc2ccc(Br)cc2)C3=O)c1 2325721073 GJPOEXNVMXPPIK-UHFFFAOYSA-N 435.317 6.261 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1OC(=O)c1ccc(F)c(F)c1F 2325729355 JJHAPXVCUYEGEF-UHFFFAOYSA-N 446.808 5.881 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1OC(=O)[C@@H](C)c1ccccc1 2325747034 MFSVJEMJAVNKOF-KRWDZBQOSA-N 430.456 5.029 30 10 IKEE COc1ccc(OCC(=O)Oc2cc(C=CC(=O)c3ccc(C)c(C)c3)ccc2OC)cc1 2325759984 NTZHZCOAKNRZCD-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE COc1cccc(C(=O)Oc2cccc(C=CC(=O)c3cc(Cl)ccc3Cl)c2)c1 2325773766 VKSMDVKAEJRDJV-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE C=CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1cccc(Cl)c1 2326139916 APZAWHHYHBYHIL-UHFFFAOYSA-N 447.391 5.941 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccc(OC)c([N+](=O)[O-])c1 2326306484 ZHKCRIMAEKPTRI-UHFFFAOYSA-N 439.541 5.020 30 10 IKEE Cc1cc(C)cc(CSc2nnc(C)n2N=Cc2cc(Cl)c(O)c(Cl)c2O)c1 2326399000 XXKAGMAHDJHEOF-UHFFFAOYSA-N 437.352 5.096 30 10 IKEE CCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccccc1OCc1ccccc1 2326733499 IGIFALSFJKKERX-UHFFFAOYSA-N 446.551 5.733 30 10 IKEE C=CCSc1nnc(CCc2ccc(OC)cc2)n1N=Cc1ccc(OCCC)cc1 2328579667 MLYOKBVUMJUJET-UHFFFAOYSA-N 436.581 5.021 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccc(C)c(C)c3)n2N=Cc2cccs2)c1 2328782180 NLNBWQMIVUFQTN-UHFFFAOYSA-N 448.617 6.018 30 10 IKEE C=CCSc1nnc(COc2ccc(C)cc2C)n1N=Cc1c(F)cccc1Cl 2328907100 NTCRGZIVTBVBGL-UHFFFAOYSA-N 430.936 5.427 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccc(C)c(C)c3)n2N=Cc2ccc[nH]2)cc1 2328921311 YELOIOGAXZZMCR-UHFFFAOYSA-N 429.593 5.491 30 10 IKEE C=CCSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1ccc(OCCCCC)cc1 2329436490 XAQQKOSFHIXQMG-UHFFFAOYSA-N 448.636 6.215 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccccc1O 2330129401 LEKFIFZRXJKNQN-QGZVFWFLSA-N 448.979 5.963 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1[N+](=O)[O-] 2330665815 LFOKEHZYGONILY-UHFFFAOYSA-N 431.488 6.520 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3C)c(Cl)c2)cc1 2330833024 HUNAQSUSCMEDMH-UHFFFAOYSA-N 432.947 7.106 30 10 IKEE CN(C)c1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2[C@H]2CCCO2)cc1 2330967883 JMHZPLSDVYFQCZ-HXUWFJFHSA-N 441.988 5.024 30 10 IKEE Oc1ccc(Cl)cc1C=Nn1c(SCc2ccccc2Cl)nnc1[C@H]1CCCO1 2330968087 YGKLDKQAFHQELH-GOSISDBHSA-N 449.363 5.317 30 10 IKEE Oc1cccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2[C@@H]2CCCO2)c1 2330977120 QJEWOKALZXQPDM-SFHVURJKSA-N 449.363 5.317 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OC(=O)Cc1ccccc1Cl 2331106087 ATMLSHLHTHWPPF-UHFFFAOYSA-N 442.845 5.671 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)c1ccccc1F 2331138245 VDSZZKKFFPMJMP-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE FC(F)(F)c1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccncc1 2331146269 OJHJZJMKJDMZJF-UHFFFAOYSA-N 432.258 5.173 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)c1ccc(C)c(C)c1 2331312764 XGEXKNBDJFVTCM-UHFFFAOYSA-N 448.946 6.698 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(Cl)cc3)c([N+](=O)[O-])c2)c1 2331320597 JSPHTHCMTZQTGY-UHFFFAOYSA-N 449.890 5.909 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(C)c3)cc2[N+](=O)[O-])c1 2331339229 PGJKNSYRXIHSJT-UHFFFAOYSA-N 447.462 5.703 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Br)c1OC(=O)C(C)C 2331343955 GNVOVPXJKOTPQB-UHFFFAOYSA-N 435.289 5.363 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(Cl)c(OC(=O)c2ccccc2)c(OC)c1 2331351230 BAZRGVSUMOBEGD-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc3ccccc23)cc(Br)c1OC(C)=O 2331481128 ZWHCSCQFLJOKMG-UHFFFAOYSA-N 439.305 5.822 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1 2331491953 ZPIOJIFEJYGCPV-UHFFFAOYSA-N 428.572 6.828 30 10 IKEE Cc1ccsc1C(=O)Oc1ccc(C=CC(=O)c2ccc(F)cc2)cc1Br 2331523676 QDAAMKQJDDOOND-UHFFFAOYSA-N 445.309 6.073 30 10 IKEE COCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(C(C)(C)C)cc1 2331580671 VOLJATAGTBSKIN-UHFFFAOYSA-N 428.989 5.550 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccn3)c(Cl)c2)cc1Cl 2331818853 NWUWFULIZXYEAD-UHFFFAOYSA-N 428.271 5.512 30 10 IKEE COC(=O)c1nc(-c2ccc(C)cc2)oc1NN=Cc1ccccc1OCc1ccccc1 2331937524 BCFBBRPPWTZGDW-UHFFFAOYSA-N 441.487 5.462 30 10 IKEE Cc1cc(C)c(/N=C2/N[C@](c3ccccc3)(C(F)(F)F)Oc3ccccc3O2)c(C)c1 19880883 OOZHSFVXUIIJDM-QHCPKHFHSA-N 426.438 6.076 30 10 IKEE O=C1/C(=N/N=C2c3ccccc3-c3ccccc32)c2ccccc2N1Cc1ccccc1Cl 20495100 OXYQGQVACAPRJP-TVKQRKNISA-N 447.925 6.109 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(Cl)c2Cl)cc1 21237273 XFURBEXVWRSTSX-MAUKXSAKSA-N 444.358 5.787 30 10 IKEE CCc1ccc(C(=O)On2c(-c3ccc(C(C)(C)C)cc3)nc3ccccc3c2=O)cc1 27527696 HEDIFOSREDNVPQ-UHFFFAOYSA-N 426.516 5.192 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccc(-c2ccccc2)cc1 34955639 OYGNOBGOUXMUMD-WOJGMQOQSA-N 449.462 6.377 30 10 IKEE COC(=O)c1ccccc1C(=O)O/N=C1\CC(C)(C)Cc2c1cc(C)n2-c1ccccc1 39853088 BCAORGBRNNQKRZ-HPNDGRJYSA-N 430.504 5.106 30 10 IKEE Cc1sc(NC(=O)[C@@H](C)Sc2nnc3cc(C)c4cccc(C)c4n23)c(C#N)c1C 40170458 DDDOSOTZLDSWGY-OAHLLOKOSA-N 435.578 5.169 30 10 IKEE Cn1cc(/C=C2\Oc3cc(OC(=O)c4cc5ccccc5o4)ccc3C2=O)c2ccccc21 41352734 KEZQKQKKPZPCHJ-CFRMEGHHSA-N 435.435 5.760 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(CN(C)Cc4ccccc4)c(O)cc(C)c3C2=O)cc1 41514551 TVHFFTAIWGPBJF-IWIPYMOSSA-N 429.516 5.348 30 10 IKEE Clc1ccccc1COc1ccccc1/C=N/Nc1nnc(SCc2ccccc2)[nH]1 59038938 XLCWUVOXXHLUHP-AFUMVMLFSA-N 449.967 5.775 30 10 IKEE COc1ccc(Oc2ccc(/C=C\C(=O)c3cc(Cl)ccc3Cl)cc2[N+](=O)[O-])cc1 97993041 QCEZYIGCIVTCMK-SGAXSIHGSA-N 444.270 6.599 30 10 IKEE CC(=O)N(c1nc(/C=C\C(=O)c2cc(Cl)ccc2Cl)cs1)c1cccc(C)c1C 98000606 JWKVXIWFKUSJAL-NTMALXAHSA-N 445.371 6.647 30 10 IKEE CCCCCCCC(=O)Nc1nnc(SCC(=O)c2cccc(C(F)(F)F)c2)s1 98021497 YVSZQXPIRGFJGJ-UHFFFAOYSA-N 445.532 5.831 30 10 IKEE CCCCCCCOc1cccc(NC(=O)CNc2cccc(NC(=O)CC)c2C)c1 100118360 FNMAWYINDJEGGM-UHFFFAOYSA-N 425.573 5.743 30 10 IKEE Cc1ccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N/c3cc(Cl)cc(Cl)c3)S2)c(C)c1 100263003 CVVJBSXSRJAWLL-HLGQQVFSSA-N 436.364 5.200 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1cccc(C(=O)NCCC)c1 100444204 BNWBIDIACAJGBS-UHFFFAOYSA-N 447.689 6.341 30 10 IKEE CCOC(=O)CN1C(=S)N(c2ccccc2)C(=N\c2ccccc2)/C1=N/c1ccccc1 103710810 FVUYCJKZSKFUJQ-QXKKBDLUSA-N 442.544 5.117 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccccc1OCC(C)C 135880451 JTUHSXPAAVLHQT-QFEZKATASA-N 443.016 6.093 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccc(OC)c2)cc1 169929491 PZHCQMAJTMLHLZ-HSZRJFAPSA-N 447.462 5.016 30 10 IKEE COc1cccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccc(C)c(C)c2)c1 169932877 WYTOFGAUYPYHKF-SANMLTNESA-N 441.527 5.414 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1cccc(C)c1 169968212 XHUSSMBNHOUWHS-QFIPXVFZSA-N 435.426 5.065 30 10 IKEE CC(C)Oc1cccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2C2CCCC2)c1 169981287 YPBRXWUAUZFJCU-DEOSSOPVSA-N 444.531 5.476 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@H]2c2ccccn2)cc1 169996089 VQLRTXJZCOOMBX-DEOSSOPVSA-N 436.467 5.026 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2C2CCCCC2)cc1 170031655 MLQHTHPZELEHAE-DEOSSOPVSA-N 433.548 5.559 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2C2CCCCC2)c1 170039102 SHZWRDAAJXJMFO-DEOSSOPVSA-N 444.531 5.478 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2ccc(C)cc2)=C(N2C[C@H](C)O[C@H](C)C2)C1=O 170076959 GWPNCZXUMZGLMY-SZPZYZBQSA-N 440.628 5.325 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cn(C)c3ccccc23)cc1C 170083905 OWJARBAIWXIGEB-RUZDIDTESA-N 436.511 5.578 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccnc1 170192978 YSKJXZRQWKGBDG-JOCHJYFZSA-N 430.504 5.059 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2OCC)[C@@H]1c1ccc(Cl)cc1 170236371 ZRBAQHPELSQHJC-NRFANRHFSA-N 443.927 5.126 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@@H]1c1ccc(C(C)C)cc1 170245597 WDGCFUSBOKZGGB-NRFANRHFSA-N 427.928 5.460 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2F)cc1C 170249200 DUHGCTUMPOENAH-HSZRJFAPSA-N 431.463 5.316 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2C)c(C)c1 170272351 WJDXJBPOWQEDIW-XMMPIXPASA-N 427.500 5.403 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccc2C)cc1OC 170273068 PMNMWZYLRPQHPB-XMMPIXPASA-N 443.499 5.104 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1CCCOC(C)C 170278064 WSCKTNPRKNNVSU-NRFANRHFSA-N 427.928 5.042 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccc(C)o2)ccc1Cl 170305378 NQDJUUUWDOCHSG-NRFANRHFSA-N 437.879 5.341 30 10 IKEE N#Cc1c(NC(=O)CCn2c3ccccc3c3nc4ccccc4nc32)sc2c1CCC2 170582112 WUBRDRLQDIVTPL-UHFFFAOYSA-N 437.528 5.188 30 10 IKEE Cc1cc(Br)c(O)c(C=Nc2ccc(Cl)c(-c3nc4ccccc4o3)c2)c1 252641145 ZAKNNVYAFPNNGJ-UHFFFAOYSA-N 441.712 6.675 30 10 IKEE C=C(C)[C@@H]1CC[C@@]2(C)CC[C@@]3(C)[C@H](CC[C@H]4[C@]3(C)CC[C@H]3[C@](C)(CO)[C@H](O)CC[C@]43C)[C@@H]12 253533544 RFCPTXGFYWKJJB-FOHBNOMQSA-N 442.728 6.997 30 10 IKEE C[C@@]12CCC[C@@H]1[C@H]1CC[C@H]3C[C@@H](OS(=O)(=O)c4ccc(F)cc4)CC[C@]3(C)[C@@H]1CC2 254507623 BNXIOYCVQJVXLJ-QVTHUQQLSA-N 434.617 6.332 30 10 IKEE COc1cccc(C=Nc2sc3c(c2C(=O)Nc2ccccc2)CC[C@H](C(C)(C)C)C3)c1 254508957 DDSPIASNYTWIRP-IBGZPJMESA-N 446.616 6.911 30 10 IKEE Cc1nc(S[C@H](C)C(=O)/C=C2\N(C)c3ccccc3C2(C)C)n(C[C@H]2CCCO2)c1C 254758855 HFMWTEOTWVTYJJ-BKCMQWFXSA-N 439.625 5.040 30 10 IKEE COc1ccc(C=NN=C2CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]23C)cc1OC 254824741 KJCBMTPITIADGL-DVAKJLRASA-N 432.564 5.741 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(Cl)cccc1Br 407257749 QHPXOLBGLKCSEH-RDJZCZTQSA-N 431.802 5.613 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccccc2[N+](=O)[O-])c1 526808287 GAMLSYHTWRNRIP-XYGWBWBKSA-N 443.532 5.260 30 10 IKEE O=[N+]([O-])c1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2cccc(F)c2)cc1 526825824 LBLXLZRJRITUKR-MYYYXRDXSA-N 447.495 5.091 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)Cc2ccco2)cc1 586178370 ARYXCIIMQQGIGN-UHFFFAOYSA-N 436.577 5.665 30 10 IKEE C=CCCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccccc1Cl 586225756 JTFBVARITGNNKX-UHFFFAOYSA-N 427.953 5.690 30 10 IKEE CCOc1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 586259876 HKHVNDNJPRUWOT-UHFFFAOYSA-N 426.925 5.006 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@](C#N)(N(C(=O)OC(C)(C)C)C3CCCC3)CC[C@H]2C1 698889863 GVKKWKXHYRSYAU-RHGYRFJNSA-N 433.593 5.095 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@H](C#N)c1cc(Br)ccc1Cl 698945291 MWAZDNJEXZWTNI-CQSZACIVSA-N 428.718 5.605 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2ccc(F)c(Br)c2)cc1 698958500 QXKIPGPVUIWRNN-GOSISDBHSA-N 435.293 5.603 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCO[C@@H](C(C)(C)C)C1 721578384 VSPWGAAXIYHEEI-DYESRHJHSA-N 437.378 5.678 30 10 IKEE C=C(C)CNC(=S)/C(=C(/O)c1cccc(C(F)(F)F)c1)[n+]1c(C)ccc(O)c1Cl 777513915 ZBQWCPGJJPLTJT-UHFFFAOYSA-O 443.898 5.037 30 10 IKEE CCCOC(=O)c1cc(-c2ccc(C=NNc3ccc(C)c(Cl)c3)o2)ccc1Cl 1084487261 AZQIYBTUJRGIHT-UHFFFAOYSA-N 431.319 6.575 30 10 IKEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1CC(C)(C)C(F)(F)F 1300816019 GMOIRRSBZAXMGT-JOCHJYFZSA-N 434.506 5.000 30 10 IKEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CCCC1(C)C 1705482151 TXASPOVKJKCZRZ-HZPDHXFCSA-N 445.405 5.000 30 10 IKEE Cc1ccc(NC(=O)[C@@]23CC[C@@](C)(C(=NNc4ccc([N+](=O)[O-])cc4)C2=O)C3(C)C)cc1C 1772722325 OKAFPAJNLVATLH-LOSJGSFVSA-N 448.523 5.014 30 10 IKEE Cc1ccc(COc2ccc(/C=C3/SC(=Nc4cccnc4Cl)N(C)C3=O)cc2)cc1 1772738055 QQBUHAXNKRZWNT-RWYGKYMDSA-N 449.963 5.856 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc3c(OC(=O)NC4CCCCCC4)cccc23)c1 1858944848 SUSAONIOVQHVMZ-UHFFFAOYSA-N 427.504 5.775 30 10 IKEE CCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)CCCOc1ccc(Cl)cc1 1861713643 HWEOJDOUGMPPBR-HSZRJFAPSA-N 425.013 5.261 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2cccc(C)c2)cc1C 1862400900 PDHPKTVKIJIMBR-RUZDIDTESA-N 441.527 5.399 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)c(OCCC)c2)[C@@H]1c1ccccc1C 1862425956 KIBNIBWCCWTNPD-DEOSSOPVSA-N 449.547 5.337 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccccc1C 1862429425 MQXUKUIBTXJIFZ-QFIPXVFZSA-N 441.955 5.434 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1F 1862445848 FRYOTKWNSQFGJI-DYHNYNMBSA-N 445.893 5.775 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862488732 HLIFIMGWDVJYDR-RUZDIDTESA-N 443.518 5.783 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CC2)cc1 1862497991 XMAZUXQLFRDBBY-XMMPIXPASA-N 433.548 5.613 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc(F)cc2F)ccc1F 1862503490 YMQRARYXDZQGCC-VYALMSHHSA-N 443.465 5.569 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862508705 OMFNSNMBDHIZQB-DJJJIMSYSA-N 435.417 5.530 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccccc2)cc1 1862543822 PMVLVFQOVMYYCR-AREMUKBSSA-N 437.539 5.652 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(Cl)cc1 1862584314 VKQWXCOBWUECRF-VOJFVSQTSA-N 438.738 6.024 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(C)cc2)cc1 1862674791 UBPYJCDUSVHIPG-IQGLISFBSA-N 443.518 6.036 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccc(OC)cc2)cc1 1862689132 IYUKEYMWQHYSQI-DEOSSOPVSA-N 449.547 5.395 30 10 IKEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccc1Cl 1862712718 XXNNOTAVBAKVJJ-HSZRJFAPSA-N 448.950 5.023 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccc(F)c1 1862748873 LGIQKRBYNGCITP-QRQCRPRQSA-N 446.434 5.073 30 10 IKEE CC(C)c1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccccc3Cl)C2=O)cc1 1863076126 XTFQFBYDUSAUPG-UHFFFAOYSA-N 441.918 5.732 30 10 IKEE CC(C)COc1ccc(NC2=C(c3cccs3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1863119912 MBFVBJIYTIDIPH-UHFFFAOYSA-N 443.528 5.051 30 10 IKEE CCCCCCCCN1C(=O)C(NCCC(C)C)=C(c2ccc(OCCC)cc2)C1=O 1863686077 XIXQZWCDTKIWSU-UHFFFAOYSA-N 428.617 5.552 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(C(=O)OCC)cc1 1866029741 DVHQRGYAJGYPAX-UHFFFAOYSA-N 431.661 8.063 30 10 IKEE CCCCCCOc1ccc(C(=O)N[C@@](C)(CC)C(=O)N[C@H](C#N)c2ccc(C)cc2)cc1 1867569637 SCHXGWLBWLRTTH-SQHAQQRYSA-N 449.595 5.234 30 10 IKEE CC(C)c1cc(C(C)C)cc(-n2nnc(C#N)c2NC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)c1 1870162086 KPMZKEFOAMGIOV-NHCUHLMSSA-N 447.970 5.781 30 10 IKEE C=CCn1cc(OCCCCOc2ccccc2C)c(=O)cc1CSCc1ccccc1 1870224876 SNQCKDJAGOIICT-UHFFFAOYSA-N 449.616 6.014 30 10 IKEE CCCCCCCCn1cc(OCc2c(C)cccc2C)c(=O)cc1CSC(C)C 1870277769 XEEZPOJALDXHFW-UHFFFAOYSA-N 429.670 7.046 30 10 IKEE C=CCn1cc(OCCc2ccccc2)c(=O)cc1CN1CCC(Cc2ccccc2)CC1 1870690443 HOBFBBZQYQJATC-UHFFFAOYSA-N 442.603 5.111 30 10 IKEE C=CCn1cc(OCc2ccc(OC)c(F)c2)c(=O)cc1CNc1ccc(Cl)cc1C 1870806603 RCWXHBKTLBLZOU-UHFFFAOYSA-N 442.918 5.335 30 10 IKEE C=CCOc1cn(Cc2ccncc2)c(CNc2ccc(-c3ccccc3C)cc2)cc1=O 1870809720 RTOWBDPKCJPIJF-UHFFFAOYSA-N 437.543 5.444 30 10 IKEE CCCCCCCCn1cc(OCCCC)c(=O)cc1CNc1ccc(Cl)cc1C 1871111017 PCGJRZZDZXRDOU-UHFFFAOYSA-N 433.036 6.962 30 10 IKEE CCCCCCCCn1cc(OCCCCC)c(=O)cc1CNc1ccc2c[nH]nc2c1 1871130549 WNFZTKUGSMNHMZ-UHFFFAOYSA-N 438.616 6.266 30 10 IKEE CCCCCCCCCCn1cc(OCCCO)c(=O)cc1CNc1ccc(CC)cc1 1871265968 XZCSZNMCRCMDTH-UHFFFAOYSA-N 442.644 5.925 30 10 IKEE CCCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1cn(CC)c2ccccc12)C3=O 1871346926 JQXCOBJPXGZZIM-OYKKKHCWSA-N 430.548 5.928 30 10 IKEE C[C@H]1CCCC[C@@H]1N1COc2ccc3c(c2C1)O/C(=C\c1cn(C)c2ccccc12)C3=O 1871351182 OLOSKOBDZHUJAJ-VKEIQZIISA-N 428.532 5.525 30 10 IKEE CC[C@@H](C)N1COc2c(cc3c(c2C)O/C(=C\c2cccc(Br)c2)C3=O)C1 1871353384 OUNAPLNWSYURLB-JFPGXGMNSA-N 428.326 5.324 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OC(=O)c4cccc5ccccc45)cc(C)c3C2=O)c1 1871378150 XPDCYNWFTGDJHP-MYYYXRDXSA-N 436.463 5.992 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccs2)C3=O)c(OCC)c1 1871386761 LSIPFZOZECYAMG-HMAPJEAMSA-N 436.485 5.381 30 10 IKEE C=CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871389841 QNWXRWYVXMUUMM-UCQKPKSFSA-N 446.886 6.049 30 10 IKEE CC(C)=C1Oc2c(ccc(O[C@@H](C)C(=O)Nc3ccc(Oc4ccccc4)cc3)c2C)C1=O 1871408152 VNNMIOFEPJAFEN-SFHVURJKSA-N 443.499 6.062 30 10 IKEE COc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccccc1)C2=O 1871411200 GHZLEZSFDKQKGT-XYLCRUHJSA-N 429.472 5.026 30 10 IKEE Cc1cc(OCC(=O)C(C)(C)C)cc2c1C(=O)/C(=C/c1ccccc1Br)O2 1871420294 ZHDKAXULXWDUFP-ZDLGFXPLSA-N 429.310 5.368 30 10 IKEE CC(=O)c1cccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)c1 1871438487 AQMNDZMUWFBKNX-FMCGGJTJSA-N 447.874 5.176 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc(C)c4C)cc(C)c3C2=O)c1 1871458565 CLXSXSGSTZCHIM-CFRMEGHHSA-N 443.499 5.254 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)CCCC 1871785611 NOMONPPDYPIGRT-SFHVURJKSA-N 435.417 5.109 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NS(=O)(=O)c1c(C)cc(C)cc1C 1872614110 ZRUOSNGEDOQCCJ-XMMPIXPASA-N 438.678 5.316 30 10 IKEE CCc1sc([C@H](C#N)C(=O)CSc2ccccc2)nc1-c1ccc(OC)c(OC)c1 1872728130 OVTVYNUBRWBMNC-QGZVFWFLSA-N 438.574 5.358 30 10 IKEE N#C[C@H](C(=O)c1ccc(-c2ccccc2)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1872759362 LYLOKHQZEOOABB-OAQYLSRUSA-N 425.469 5.875 30 10 IKEE N#C[C@@H](C(=O)c1c(F)cccc1Cl)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872759458 OZNZVXBGOFEMLP-SFHVURJKSA-N 432.907 6.760 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(C)cc3)n2)cc1OCCC 1872767698 YIHFYQOIRVFKFO-FQEVSTJZSA-N 434.561 6.186 30 10 IKEE CC(C)COc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1 1872769141 KRKJNJSQWCSISY-QGZVFWFLSA-N 445.371 6.642 30 10 IKEE CC(C)(C)c1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)c(Cl)c3)n2)cc1 1872773001 JJIAJIXQWJOMOM-INIZCTEOSA-N 429.372 6.904 30 10 IKEE CCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3cc(OCC)ccc3OCC)cs2)cc1 1872780892 NABXQRSEUBAQJH-FQEVSTJZSA-N 436.533 5.496 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@@H](C#N)C(=O)c2ccc([N+](=O)[O-])cc2)n1 1872783952 MAOYIQAPDVMGEP-HNNXBMFYSA-N 427.869 5.179 30 10 IKEE CCCCC1CCC(C(=O)[C@@H](C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)CC1 1872786476 LLIQXALCWHRDRZ-LBXVMSDZSA-N 445.028 6.953 30 10 IKEE C=CCOc1ccccc1OCC(=O)Nc1c(C(=O)Nc2ccccc2)oc2ccccc12 1873430252 ZHCKQPXMRWJKLL-UHFFFAOYSA-N 442.471 5.267 30 10 IKEE N#Cc1nc(-c2ccccc2)oc1N/N=C/c1ccc(OCc2ccccc2Cl)cc1 1873470642 NWZPTFDWSABJDA-JFLMPSFJSA-N 428.879 5.892 30 10 IKEE CCCSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874321487 UPGCVRLJEFASBD-WGOQTCKBSA-N 436.625 6.156 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccc(C)cc3C)n2/N=C/c2cccn2C)c1 1874325943 QBRRFTCXQIVIJC-CVKSISIWSA-N 445.592 5.295 30 10 IKEE Fc1ccc(CSc2nnc(Cc3ccc(Cl)cc3)n2/N=C/c2ccc[nH]2)cc1 1874336881 LIUGOHUNWRTONK-DHRITJCHSA-N 425.920 5.164 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(F)cc3)n2/N=C/c2cc(C)ccc2O)cc1 1874379488 VKWVILQDJAKFID-JFLMPSFJSA-N 446.551 5.505 30 10 IKEE Cc1ccc(CSc2nnc(CC(C)(C)C)n2/N=C/c2ccc(Cl)cc2Cl)cc1 1874436474 CJXWKFFDFPVLPX-DHRITJCHSA-N 447.435 6.656 30 10 IKEE CCCOC(=O)CSc1nnc(CC(C)(C)C)n1/N=C/c1ccc(C(C)(C)C)cc1 1874441785 JBCXNDPTCDQYPQ-BUVRLJJBSA-N 430.618 5.092 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(CC(C)C)n2/N=C/c2ccccc2Cl)o1 1874488294 VCLMZWIGPKFEJI-FSJBWODESA-N 446.960 5.074 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccccc1OC(C)C 1874526381 YWGDVYSYXNZRJC-WGOQTCKBSA-N 430.577 5.955 30 10 IKEE CC(C)(C)c1ccc(/C=N/n2c(S)nnc2Cc2ccc(Br)cc2)cc1 1874570523 WPICQLZYGSYLSE-LPYMAVHISA-N 429.387 5.100 30 10 IKEE Cc1ccc(C)c(COc2ccc3ccccc3c2/C=C/C(=O)c2cccc(Cl)c2)c1 1874577585 VPZWBSFZIXUDRN-BUHFOSPRSA-N 426.943 7.585 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cc(Br)ccc2OCc2ccccc2C)c1 1874580279 GPEYDLVKWVEWDR-ZRDIBKRKSA-N 435.361 6.849 30 10 IKEE COC(=O)c1ccc(COc2ccc3ccccc3c2/C=C/C(=O)c2ccc(F)c(C)c2)o1 1874580418 MWLWHYYLOBLHLK-ZRDIBKRKSA-N 444.458 6.142 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1OCc1ccc(C)cc1 1874593126 SVKWBLYGXHFRBE-LDADJPATSA-N 434.535 7.146 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1OCc1ccccc1Cl 1874597280 DFCRBSVHZVWQLH-FYWRMAATSA-N 428.915 6.977 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OCC(=O)Nc1ccc(F)cc1 1874609525 WPMCPDTVLZPDTB-LNKIKWGQSA-N 449.478 5.147 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OC 1874620031 FSXRPVPJYRHPKT-UKTHLTGXSA-N 447.506 5.619 30 10 IKEE COc1cccc(C(=O)/C=C/c2cccc(OC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)c2)c1 1874695052 IWHJKRCDISVPSD-KPIXCSEKSA-N 432.903 5.954 30 10 IKEE COc1cccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)c2)c1 1874698078 KJUDQRRYHNFPQJ-RIYZIHGNSA-N 431.444 5.038 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OC(=O)c1cccc(Cl)c1 1874700797 MYRLSVMUGXPJPI-VZUCSPMQSA-N 427.283 6.117 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)C(c3ccccc3)c3ccccc3)c2)c(C)c1 1874701912 CVVVIKBLWCPLIG-HTXNQAPBSA-N 446.546 6.937 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1cccc(/C=C/C(=O)c2cc(C)ccc2C)c1 1874703229 GBIVRWVTTUCDHP-CCEZHUSRSA-N 430.500 5.583 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)C3CCCC3)c2)cc1Cl 1874711922 NFUOJHCMSYJCLV-CSKARUKUSA-N 444.911 5.358 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2cccc(/C=C/C(=O)c3cc(C)c(OC)cc3C)c2)c1 1874717554 BGIVGVQGWIYRJA-MDZDMXLPSA-N 446.499 5.445 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc1OC(=O)c1cccs1 1874717737 BBPQCXMSAIHGJQ-VMPITWQZSA-N 428.893 5.534 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)C1CCCC1 1875082465 FPVZRAJERPZWQX-LDADJPATSA-N 440.539 6.744 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(OC)c1OC(=O)C1CCC1 1875096153 ZJWWXYGQQHVMPC-NTCAYCPXSA-N 426.512 6.179 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)c(OC)c2)c1 1875104491 ZQZSCQSFKQYIRV-SOFGYWHQSA-N 446.543 5.722 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)C(C)C)c(OCC)c2)cc1 1875106590 VYTBCFCCZKCJOY-SDNWHVSQSA-N 428.956 6.539 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)c3ccccc3)c(OC)c2)cc1 1875107666 CREFFTLDLJKLBM-IYYMRFBLSA-N 442.555 6.643 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2Cl)cc(OC)c1OC(=O)c1ccc(C)cc1 1875110635 UQXOCGMJOSFPCE-NTCAYCPXSA-N 446.930 6.501 30 10 IKEE Cc1cc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2)cc(C)c1Cl 1875127614 OTINBXYLROLSIR-NTCAYCPXSA-N 448.946 6.618 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)c1cccc(F)c1 1875133898 LCCGLEKXDPXNLL-ACCUITESSA-N 444.502 6.295 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3cccc(Br)c3)cc2)c1 1875137891 JWAGODVYBNVWEX-JLHYYAGUSA-N 435.317 6.181 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC(=O)Cc1ccc(F)cc1 1875145970 ZZSJTNLVVVVNDF-XYOKQWHBSA-N 448.490 5.586 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(OC)c1OC(=O)[C@H]1CCCO1 1875154698 RSQZIBZOXZJLSZ-LECGRMGRSA-N 442.511 5.557 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)c2cccc(F)c2)cc1 1875161319 KJHUJCTXRBMTCB-GXDHUFHOSA-N 432.491 6.247 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)CCCSC 1875171040 CARVBVCJZUEOBK-PKNBQFBNSA-N 442.577 5.655 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)ccc1OC(=O)[C@@H]1CCCO1 1875180362 SVKBLICDIGTJGJ-OEAKIKGJSA-N 444.911 5.036 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)C2CC2)c(Br)c1 1875180944 GPTAWBDIQGMTMI-XVNBXDOJSA-N 449.728 5.631 30 10 IKEE CC1(C)OB([C@]23C[C@H]2CCN(Cc2cc(Cl)cc(Br)c2)C3)OC1(C)C 1879796593 VSLVTWRCKOSERR-KUHUBIRLSA-N 426.591 5.161 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@]1(C#N)C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 1880350139 JNRVZOJJFKPSKB-LAOBSVPGSA-N 432.564 5.701 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[C@H](C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1902327070 PIUGEBZSRRMVOG-KSZLIROESA-N 435.590 5.071 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)NCCC 1922056047 WJWMUXOUXHLGGV-CCDWMCETSA-N 444.660 5.991 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]1(C(C)C)CCN(C(=O)OC(C)(C)C)C1 1922090593 AOBUWWMIRKBSLW-BVAGGSTKSA-N 430.633 5.411 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)NCC 1922119350 NIBOJDMIRCXBQR-DNQXCXABSA-N 430.633 5.601 30 10 IKEE C=C1CCC(C[C@H](C[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)NCC)CC1 1947476871 WXLMTQNLFPYPMK-DNQXCXABSA-N 430.633 5.601 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H]1[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1978209428 KHBWSYQUFRKKKO-HTAPYJJXSA-N 435.952 5.373 30 10 IKEE CC(C)(C)OC(=O)N(CCCC(=O)Nc1ccc(Cl)c(C#N)c1)Cc1ccccc1 1985172450 HEIWCZCZFKUADW-UHFFFAOYSA-N 427.932 5.368 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)C1(C#N)CCC2(CC1)C[C@H]2CNC(=O)OC(C)(C)C 1996453848 KGUJMBWNYSGGCN-BIOCXDLKSA-N 435.609 5.247 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@@H](C#N)[C@]1(C)CCCN1C(=O)OC(C)(C)C 2020804420 OVSNYZMMPBOTHH-MBSDFSHPSA-N 449.979 5.763 30 10 IKEE CCCN[C@](C#N)(CCCN(CCN(C)Cc1ccccc1)Cc1ccccc1)C(C)C 2034740227 VPPQYZLPOCSUHK-NDEPHWFRSA-N 434.672 5.319 30 10 IKEE COc1cc(C=C2SC(=NC3CCCC3)NC2=O)ccc1OCc1ccccc1Cl 2040448356 NBTNXZOVDNDXIH-UHFFFAOYSA-N 442.968 5.430 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)C2(C#N)C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c1 2040984934 FWDKTKFDMGWYMK-RTBURBONSA-N 441.572 5.276 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2071501426 QOQXRFDSOUNFKI-XVTZWQNCSA-N 445.535 5.249 30 10 IKEE CCOC(=O)c1c(C(C)(C)C)nn(Cc2cc(F)ccc2C(F)(F)F)c1C(F)(F)F 2079033087 OUBBFJVBQIQXFR-UHFFFAOYSA-N 440.359 5.582 30 10 IKEE COc1ccc([C@H](C2CCC2)n2nc(C(F)(F)F)c(C#N)c2Br)c(F)c1 2080072173 PDKYTYDPFKXHLV-AWEZNQCLSA-N 432.215 5.073 30 10 IKEE CCOc1ccc([C@@H](C(C)C)n2nc(C(F)(F)F)c(C=NO)c2Br)cc1 2080114959 YQIFKQWCIRGCGT-CQSZACIVSA-N 434.256 5.117 30 10 IKEE C=C([C@H](NCCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br)C(C)(C)C 2096634367 VEBILGLDEHEGDX-SFHVURJKSA-N 425.411 6.439 30 10 IKEE C=CCC1([C@H](NC)c2ccc(Cl)c(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2097187066 VFXKJTSGGXVTQH-MRXNPFEDSA-N 447.776 5.315 30 10 IKEE N#C[C@@H](C(=O)c1cscc1OCc1ccccc1)c1ccc(Br)cc1F 2141244972 BRPZUAPQLIHKMC-MRXNPFEDSA-N 430.298 5.719 30 10 IKEE CCCCCCCC[C@H](NC)[C@@H](O)c1scc(Br)c1Br 2150561369 DSFOEEFZLZLSRM-GXTWGEPZSA-N 427.246 5.645 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)C1(C#N)CC(C2CCOCC2)C1 2151225709 WPMWEXMHRUXVAG-UHFFFAOYSA-N 435.362 5.290 30 10 IKEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1sc(C)c(Br)c1C 2218930220 ATBWGFHUGJJBJO-GOEBONIOSA-N 429.424 5.085 30 10 IKEE C=CCC[C@@H](NCCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229125966 KHJUVOHBNRNEKF-MOPGFXCFSA-N 425.411 5.219 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)[C@H](CC)CCNC(=O)OC(C)(C)C 2235734838 XGEVPKUQEQLOJT-YLJYHZDGSA-N 437.422 5.110 30 10 IKEE C[C@H](c1ccc(NC(=O)OC(C)(C)C)cc1)[C@@H](N)C#Cc1ccccc1Br 2235745476 CROHXMRHRZWNGQ-QRWLVFNGSA-N 429.358 5.279 30 10 IKEE CN[C@H](CC=CC#CC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2248472354 ABCBOBRFMUQKFY-MDNUFGMLSA-N 428.617 5.069 30 10 IKEE CN[C@H](CC=CC#CC(C)(C)C)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2248473620 KHTKPNADNSMVKW-DHIUTWEWSA-N 428.617 5.070 30 10 IKEE CCCCCCCCCC[C@@H](O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2256701737 NBDHVUQRTIELCV-XMMPIXPASA-N 447.660 6.332 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](O)c2cc(Br)cc(C(C)(C)C)c2)C1 2288654915 PMSRGERNEQDNGU-SFHVURJKSA-N 438.406 5.641 30 10 IKEE O=C1C(=O)N(Cc2ccco2)[C@@H](c2ccc(Cl)cc2)C1=C(O)c1ccc(Cl)cc1 2296240074 ABRYUGDREVOOIP-IBGZPJMESA-N 428.271 5.208 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]([C@@H](C)CC)N(C)C(=O)OC(C)(C)C 2296289324 QJXOOKIQQAEGNF-PWIZWCRZSA-N 437.422 5.060 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1ccc2c(c1)OC(=Cc1ccc(C(C)C)cc1)C2=O 2296865945 PBXOTQWYLMQFLF-UHFFFAOYSA-N 444.483 5.663 30 10 IKEE O=C1C(=Cc2ccc(Br)cc2)SC(=Nc2ccccc2)N1c1ccccc1 2297453299 ZPDZJAANZQTWKI-UHFFFAOYSA-N 435.346 6.258 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@H](C#N)C12CC(CCN1C(=O)OC(C)(C)C)C2 2302495855 AZUQEWUKCGTBBT-ZIYFGUEUSA-N 427.545 5.110 30 10 IKEE C#Cc1c(F)cc(NC(=O)CCCN(Cc2ccccc2)C(=O)OC(C)(C)C)cc1F 2303948638 NVWTVDRIDBHWBR-UHFFFAOYSA-N 428.479 5.102 30 10 IKEE C=CCN1C(=O)C(=Cc2cn(Cc3c(F)cccc3Cl)c3ccccc23)SC1=S 2313653075 LPKIJHQDRCJMFK-UHFFFAOYSA-N 442.968 5.869 30 10 IKEE COc1ccc(C=C2SC(=Nc3nccs3)N(C3CCCCC3)C2=O)c(OC)c1 2314543141 WMDGKJUHQFGOCB-UHFFFAOYSA-N 429.567 5.097 30 10 IKEE CCN1C(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=Nc1nc(C)cs1 2314544042 RTLYKFVWLUVXDR-UHFFFAOYSA-N 440.506 5.244 30 10 IKEE Cc1cc(OCc2cccc(Cl)c2)cc2c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O2 2321766705 CUOQJWFVUJVISF-UHFFFAOYSA-N 432.947 7.141 30 10 IKEE COc1ccc(C=C2Oc3cc(OCc4ccc(Cl)cc4)cc(C)c3C2=O)c(OC)c1 2321767394 GLXQLQKTMGJSEW-UHFFFAOYSA-N 436.891 5.861 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc(OCc3ccc(F)cc3Cl)c2C)C1=O 2321863052 WSCDCILZXWDGTR-UHFFFAOYSA-N 438.882 6.381 30 10 IKEE O=C1C(=Cc2cccc(Cl)c2)Oc2c1ccc1c2CN(CCc2ccc(F)cc2)CO1 2321936892 AOFUPFXNBZLRDT-UHFFFAOYSA-N 435.882 5.490 30 10 IKEE CCCCC1CCC(c2nnc(S)n2N=Cc2cccc(OCc3ccccc3)c2)CC1 2322107159 QISMYNFLDMNJAB-UHFFFAOYSA-N 448.636 6.492 30 10 IKEE CCCCCCCCN1COc2c(cc3c(c2C)OC(=Cc2ccccc2OCC)C3=O)C1 2322415518 FHRDEMNSLXEIPO-UHFFFAOYSA-N 449.591 6.522 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OC(=O)c4ccc(C)cc4)cc(C)c3C2=O)cc1 2322680917 AVTVUYGWLPUUTF-UHFFFAOYSA-N 441.527 5.985 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3ccccc3c2C=CC(=O)c2ccc(C)c(C)c2)c1 2322890085 ZOBGVTDKRIKXOV-UHFFFAOYSA-N 449.550 6.679 30 10 IKEE COc1cccc(C=CC(=O)c2c(C)cc(C)cc2C)c1OCC(=O)Nc1ccccc1C 2322952910 DRFXSKOBYOFGQR-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1OCc1ccccc1F 2323149390 RDDHLHIKLCZNTJ-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OCc2cccc3ccccc23)c1 2323332210 IEONIERYEFICLT-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)c4ccc5nc(C)c(C)nc5c4)ccc3C2=O)c1 2323554844 FYMOQSNININIBU-UHFFFAOYSA-N 436.467 5.390 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(C=CC(=O)c3cccc(Cl)c3)cc2OC)cc1 2323777436 GHTWSUSWORSFFR-UHFFFAOYSA-N 449.934 5.825 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)c1 2323832190 VKLDTRYLBQVLQL-UHFFFAOYSA-N 434.875 5.964 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCc3cccc(Cl)c3)c(OCC)c2)cc1 2323840018 AKTHPBIRBBKSFR-UHFFFAOYSA-N 436.935 6.613 30 10 IKEE CCCOc1ccc(C=NNc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1OCC 2323854474 GUHVYODUICCTOZ-UHFFFAOYSA-N 438.553 5.402 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)c(C)c1 2323854700 QJHHMTRBIJGIAL-UHFFFAOYSA-N 437.898 6.010 30 10 IKEE CCCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccs2)C3=O)cc1 2323937400 BKWPSXVRSPMWNX-UHFFFAOYSA-N 448.496 5.597 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)Nc2ccc(F)cc2)cc2c1C(=O)C(=CC=Cc1ccccc1)O2 2324324728 TVADAVFKXHNTEV-SFHVURJKSA-N 443.474 5.713 30 10 IKEE COc1cc(C(=O)C=Cc2ccc(OCc3ccccc3)c(Cl)c2)c(OC)cc1Cl 2324406151 GXUIHUXLVFWJRP-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@H](C#N)C(=O)C=Cc2ccc(C(C)C)cc2)n1 2324847597 DBOQIAMHELSYPH-HXUWFJFHSA-N 436.964 6.485 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1ccco1)C2=O)Nc1nc(-c2ccccc2)cs1 2324868191 YVXFQCIGJQAQME-UHFFFAOYSA-N 444.468 5.037 30 10 IKEE CCCCCCOC(=O)COc1cc(C)c2c(c1)OC(=Cc1c(F)cccc1Cl)C2=O 2325031525 WHVZKKXGJZSILR-UHFFFAOYSA-N 446.902 5.906 30 10 IKEE N#Cc1ccc(NC(=O)C=Cc2ccc(OCc3ccccc3Cl)cc2)c([N+](=O)[O-])c1 2325125888 SKILYVSROKYAMM-UHFFFAOYSA-N 433.851 5.351 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4c(C)cccc4C)cc(C)c3C2=O)o1 2325145652 VCKASUMQKVTPOQ-SFHVURJKSA-N 431.488 5.535 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(C(C)C)cc2)cc2c1C(=O)C(=Cc1cccc(F)c1)O2 2325318629 RIGDRQNVEGEKKZ-UHFFFAOYSA-N 445.490 5.891 30 10 IKEE C(=Nn1c(CCc2ccccc2)nnc1SCc1cccc2ccccc12)c1ccco1 2325461600 WWKPBZIDZFQGOV-UHFFFAOYSA-N 438.556 5.984 30 10 IKEE Cc1cccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccc(Cl)cc2)c1 2325493212 SMOCEPIBCVKEIN-UHFFFAOYSA-N 432.980 6.005 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccc(C(F)(F)F)cc1 2325512941 WDEHPBAICCVKLL-UHFFFAOYSA-N 432.515 6.122 30 10 IKEE CC(C)(C)c1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1 2325552422 KFWQUTAOPFFFPH-UHFFFAOYSA-N 445.490 5.757 30 10 IKEE COc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)c1ccc(Cl)cc1 2325669758 FPNUQYKXHWXMDQ-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)CCCC4)c2)c1 2325701653 JUWVVNHDEBFECJ-UHFFFAOYSA-N 442.511 5.698 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccccc3[N+](=O)[O-])c2)cc1 2325739156 JAYREAAGRFQNBK-UHFFFAOYSA-N 445.471 5.428 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)Cc3ccccc3[N+](=O)[O-])c2)cc1C 2325770883 ATBOIXGCRRJTOS-UHFFFAOYSA-N 445.471 5.264 30 10 IKEE C=CCSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1ccc(O)cc1 2325884065 VPPMFPHQTCALPA-UHFFFAOYSA-N 444.560 5.309 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1ccccn1 2325904699 DFWZYINYUOASMC-UHFFFAOYSA-N 435.597 5.408 30 10 IKEE Cc1ccccc1OCCCc1nnc(SCc2ccccc2)n1N=Cc1ccc[nH]1 2327089852 XVEDNGIQYXVICX-UHFFFAOYSA-N 431.565 5.101 30 10 IKEE COc1ccc(CCc2nnc(SCc3ccc(C)cc3)n2N=Cc2ccco2)cc1 2328570691 XIHQXQCRQZSTEU-UHFFFAOYSA-N 432.549 5.148 30 10 IKEE COc1ccc(Cc2nnc(SCc3cccc(F)c3)n2N=Cc2cccc(C)c2)cc1 2329257015 YDYJOCSAFLQJGO-UHFFFAOYSA-N 446.551 5.500 30 10 IKEE Cc1cccc(CSc2nnc(COCc3ccccc3)n2N=Cc2cccc(O)c2)c1 2329316921 CUDACMYYJDZEGJ-UHFFFAOYSA-N 444.560 5.183 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccccc3Cl)n2N=Cc2ccccc2O)c1 2329549865 VIPSQLQXKPDCJF-UHFFFAOYSA-N 434.952 5.787 30 10 IKEE O=[N+]([O-])c1ccc(C=Nn2c(SCc3ccccc3)nnc2-c2ccccc2Cl)cc1 2329571172 NIMWZDMVCLYNIW-UHFFFAOYSA-N 449.923 5.681 30 10 IKEE C=CCSc1nnc(CCc2cccs2)n1N=Cc1ccc(N(CC)CC)cc1 2329673904 OCOOKEMHYNFHMZ-UHFFFAOYSA-N 425.627 5.131 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccccc3)n2N=Cc2sccc2C)cc1 2329872605 ZNMFXNCNBOOBRI-UHFFFAOYSA-N 434.590 5.710 30 10 IKEE Fc1ccccc1C=Nn1c(Cc2cccs2)nnc1SCc1cccc(Cl)c1 2330439555 ASRHNQVZZHVYBK-UHFFFAOYSA-N 442.972 5.897 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(Cl)c1OC(=O)C(C)(C)C 2330678371 SKVVCQCLNKWKKU-UHFFFAOYSA-N 426.940 6.075 30 10 IKEE CCCN(CCC)C(=O)CSc1nnc(-c2ccccc2)n1N=Cc1ccc(CC)cc1 2330684809 JXLVDRCKEHVSKK-UHFFFAOYSA-N 449.624 5.130 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)COc3ccccc3)c(OC)c2)cc1 2330742596 ZVDKSQRVTPIKIZ-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)c(Cl)c2)c1 2330781075 CAQHXTIEXJLRFP-UHFFFAOYSA-N 448.946 6.761 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)ccc1OC(=O)c1ccc(CC)cc1 2330795144 JVWMATUPWFUPOB-UHFFFAOYSA-N 430.500 5.772 30 10 IKEE O=C(COc1ccccc1)Oc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1 2330881539 RZMMFCPHAICCEF-UHFFFAOYSA-N 437.289 5.330 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2Cl)cc(OC)c1OC(=O)c1cccc(C)c1 2330949271 OGJQVNXZPHFYQT-UHFFFAOYSA-N 446.930 6.501 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)ccc1OC(=O)c1cccc(OC)c1 2330979771 NUKRHOPXPHLSJR-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE COc1cccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2[C@@H]2CCCO2)c1 2331009342 YBDNMWULUXGPFG-IBGZPJMESA-N 446.935 5.105 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccccc2OC)cc1Cl 2331063662 HRHROOBAPWEBEY-UHFFFAOYSA-N 428.956 6.901 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3c(C)ccc(C)c3C)cc2)c(C)c1 2331215978 IDDGPKGHFSIWFK-UHFFFAOYSA-N 428.528 6.109 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)Cc1ccc(F)cc1F 2331329824 KWSZIUPTDUNFSZ-UHFFFAOYSA-N 436.454 5.634 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)CCCOc2ccc(C)cc2)cc1 2331351988 SBTAGLAETIOYSS-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(OC)c(OC(=O)c2ccc(C)cc2)c(OC)c1 2331352188 PUXDVYFJVQENQB-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2OC)cc(OC)c1OC(=O)c1cccs1 2331376211 NWOGHOBZJVKNDS-UHFFFAOYSA-N 448.540 5.918 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(CC(C)C)nnc1SCCc1ccccc1 2331456734 YTZZNYFJSLMAJR-UHFFFAOYSA-N 444.604 5.855 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)c1ccccn1 2331493070 RKSJABRMQVCMNP-UHFFFAOYSA-N 431.488 5.338 30 10 IKEE Cc1ccccc1NC(=O)CSc1nnc(C2CCC2)n1N=Cc1ccc(Cl)cc1 2331500491 OVVRSRCMRVDERP-UHFFFAOYSA-N 439.972 5.120 30 10 IKEE CCCOc1ccccc1C=Nn1c(COC)nnc1SCc1cccc2ccccc12 2331592380 CSUCTAUHTFYNPN-UHFFFAOYSA-N 446.576 5.541 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc(Cl)c1OC(=O)C(C)C 2331665861 LNTLQLRJNGDMDF-UHFFFAOYSA-N 430.928 5.822 30 10 IKEE CC1(C)C[C@@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)[C@H]1OCc1ccccc1 2339547398 PWUHNUQHNRVJFD-ORRPQKLRSA-N 434.389 5.522 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Br)c(Oc2cc(Cl)c(C#N)cc2F)c1 2344216402 AHPGNBCVKUDIQL-UHFFFAOYSA-N 441.684 6.253 30 10 IKEE CN(c1ccc(C#N)c(Br)c1F)[C@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]12 2357062216 UOSRQHXPZFHSMK-JPLJXNOCSA-N 429.333 5.280 30 10 IKEE CCCN[C@@H](C#CC(C)(C)OC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2363518248 MXDYSTMVLCDTDB-KRWDZBQOSA-N 439.394 5.265 30 10 IKEE CN(C)c1ccc(/C=N/c2cccc(C3=NN(c4ccccc4)[C@H](c4ccccc4)C3)c2)cc1 15773873 XJCLWQGEPDAIFS-CKNUFSEASA-N 444.582 6.859 30 10 IKEE O=C1/C(=C\c2ccc(Br)s2)CC/C1=C/c1ccc(Br)s1 20115363 JCHGHRDQLMPPJN-XOHWUJONSA-N 430.186 6.165 30 10 IKEE CCc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(N(C)C)cc2)C3)cc1 21247732 UHDWQMIDCMXSKD-ZTOMLWHTSA-N 437.587 6.295 30 10 IKEE COc1ccccc1/C=C\C(=O)c1cc(Br)ccc1OC(=O)c1ccco1 33441949 VWINSIBMLLVGIS-NTMALXAHSA-N 427.250 5.166 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)/C=C\c3ccccc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 33916925 PRLQUNVZZGGPIB-LFRSYBKYSA-N 440.455 5.086 30 10 IKEE O=C1N/C(=N\N=C\c2ccc(-c3ccccc3)o2)S[C@@H]1Cc1cc(Cl)ccc1Cl 39888007 AVUUCYJPVMXKBY-QVHMZZSFSA-N 444.343 5.418 30 10 IKEE CNC(=O)c1c(Nc2ccc(C)cc2)sc2c(-c3ccc(C)cc3)c(C#N)c(N)nc12 39895253 FXUWKBASPVXDQR-UHFFFAOYSA-N 427.533 5.137 30 10 IKEE C=C(C)Cn1c(CCCCCNC(=O)c2ccc(Br)cc2)nc2ccccc21 40214341 URXXTAUWJQHYFH-UHFFFAOYSA-N 440.385 5.518 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)c1 41292777 UHYLSXLDDVLXMB-RMORIDSASA-N 430.456 5.156 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(-c4ccccc4)cc1)C3=O)CN(Cc1ccco1)CO2 41588706 HYRYBNVBWZKTQN-WGARJPEWSA-N 449.506 6.223 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(O[C@H](C)CC)cc2)cc1 59531618 FKQYBTOOMGJBKI-LLBVYWAGSA-N 433.548 5.267 30 10 IKEE C/C(=N\OCc1ccccc1C)c1cc(-c2ccccc2)n(-c2cccc(Cl)c2)c1C 97629520 MEXXIZJGCVLWJD-ZTKZIYFRSA-N 428.963 7.355 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2ccc(C(=O)NCCCOC)cc2)cc1 100300795 ZAPQENXPLPNHGY-UHFFFAOYSA-N 426.557 5.054 30 10 IKEE CCCCCCCCn1c(CCCNC(=O)c2cccc(Cl)c2)nc2ccccc21 102151992 HKXADCRFYWJUPM-UHFFFAOYSA-N 426.004 6.413 30 10 IKEE CCCCCCCCCN1C(=O)[C@H](C)Oc2ccc(-c3csc(-c4ccccc4)n3)cc21 103748503 LHXBODXFZBKVIU-FQEVSTJZSA-N 448.632 7.342 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1ccc(Cl)cc1Cl 138207062 VFTWSOLAFGITRZ-UYOCIXKTSA-N 446.190 6.375 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccccc1OC 169944808 NXYORQWSQVUXOM-XMMPIXPASA-N 443.499 5.104 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccc(C)c2)cc1 169968808 MQNCGMSHJOMJPX-DEOSSOPVSA-N 439.467 5.533 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc(C)c2)cc1 169972088 BZLWAVJOQBYRSP-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2cccs2)c1 169981813 QEBUIXBGTSLYMX-HXUWFJFHSA-N 439.920 5.583 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2ccncc2)c1 170025503 NJJDAWKEMCZPJV-XMMPIXPASA-N 426.516 5.094 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(O)c(Cl)c2)cc1C 170040757 FZZBUJSKIVFIMJ-QFIPXVFZSA-N 433.891 5.445 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccccc2)c1 170047280 TXUBEHKLLSYQST-AREMUKBSSA-N 441.527 5.577 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccccc2)c1 170047491 OTDFMOOHDNUGFY-JOCHJYFZSA-N 433.891 5.522 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccccc2)cc1C 170047847 RZTFQESKRFEZDW-DEOSSOPVSA-N 426.516 5.152 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)[C@H]2c2ccccc2)cc1 170053809 ABUVVOWBVYINCX-DEOSSOPVSA-N 443.499 5.265 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)cc2)cc1C 170059109 SPTRWRNIFDRWLH-JOCHJYFZSA-N 432.907 5.130 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccc(F)cc1)c1cccc(Cl)c1 170060981 VBXKJIWVAGHRMY-HXUWFJFHSA-N 443.808 5.540 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2c[nH]c3ccccc23)c1 170074076 JGCPYDLAASBIDP-QHCPKHFHSA-N 442.446 5.099 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@H]1c1ccccc1OC(C)C 170151317 JCKMDWJDFAWRJB-OAQYLSRUSA-N 443.927 5.124 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccc(OC(C)C)c1 170153082 IPVONRGPUUHIOU-QHCPKHFHSA-N 433.504 5.598 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2cccs2)c(C)c1 170158668 FPRUKDMJMXNDLS-JOCHJYFZSA-N 433.529 5.465 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccccn1)c1cc2cc(Cl)ccc2o1 170169264 NQOQKYGMFYVDIU-NRFANRHFSA-N 448.837 5.403 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@H]1c1cccnc1 170195925 ZPBMYASGTOEKCX-HSZRJFAPSA-N 436.552 5.291 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2)c1 170223338 RSCPJAIAOASWOD-HSZRJFAPSA-N 431.463 5.396 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(Cl)cc1)c1c[nH]c2ccccc12 170235373 YVAQWBGHISQDGT-NRFANRHFSA-N 432.863 5.193 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2ccc(C)o2)c1 170304051 BAPCHSVTGYIBCS-HSZRJFAPSA-N 447.487 5.168 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(C)o2)c(C)c1 170304809 GVBDXIURYUBFGC-HSZRJFAPSA-N 427.456 5.734 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2Cc2ccc(F)cc2)o1 170311183 KHRQLNGYVBDFRD-XMMPIXPASA-N 445.490 5.384 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1c(C)[nH]c2ccccc12 170311901 MPRQRJPJZXARII-RUZDIDTESA-N 438.527 6.008 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2cccc(OCC(C)C)c2)cc1 170366219 MMAWIGCJPVKGMI-HSZRJFAPSA-N 431.488 5.406 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2c(C)[nH]c3ccccc23)cc1C 170404137 LRCCKTYGTRLGKY-QHCPKHFHSA-N 442.540 5.938 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)cc(C)c2)cc1 170452643 OCGWHNCMYQTKQS-DEOSSOPVSA-N 444.531 5.526 30 10 IKEE Cn1c(N)c(-c2nc3ccccc3s2)s/c1=N\C(=Nc1ccccc1)c1ccccc1 252445380 HPYPDSBZLJMRTH-YMSWIYABSA-N 441.585 5.625 30 10 IKEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(CSc2ccc(Cl)c(Cl)c2)c1 305171088 INBYHDXEKUAQDT-UHFFFAOYSA-N 425.186 5.594 30 10 IKEE C#C[C@@H]1O[C@H](C)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 396454153 OOSYYPHMRPRIRG-OMNZJWBCSA-N 442.555 5.163 30 10 IKEE CCCOc1ccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526516025 LWSHIHXKOSEKSK-XMMPIXPASA-N 428.463 5.543 30 10 IKEE CCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1cccc(Br)c1 526811727 QZFUJYOSCMGTSD-UUYOSTAYSA-N 429.387 5.394 30 10 IKEE Cc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccccc2Cl)cc1 526817276 QRGAXXWQYGNGPN-QQXSKIMKSA-N 432.980 6.005 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)Nc3cc(C)cc(C)c3)C2)c1 585880398 NSFINQXMRGZCNY-HSZRJFAPSA-N 448.611 5.567 30 10 IKEE C#CCN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(CCCCCC)cc1 586233943 UPFPMHPWIKDWRD-UHFFFAOYSA-N 434.399 5.400 30 10 IKEE C=CCSC1=NN2[C@@H](c3cccc(Oc4ccccc4)c3)Nc3ccccc3[C@@H]2C(=O)N1 588229224 NYBKUWCZLAXXFC-PKTZIBPZSA-N 442.544 5.266 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@@H](C#N)c1ccc(Cl)cc1Br 698947992 VLECNQWOAPSXKR-AWEZNQCLSA-N 428.718 5.605 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@@H](C#N)c1cc(Br)ccc1Cl 698964521 JLRYNQMIDQTBQC-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)CC1 704048299 JZDZLWRSOFTWRE-QFIPXVFZSA-N 435.590 5.169 30 10 IKEE O=C1/C(=C\C=C\c2ccccc2)S/C(=N/N=C/c2ccc(Cl)cc2)N1Cc1ccco1 1615301468 SOJHFCZKWQZDRS-TUNDWGGQSA-N 447.947 5.996 30 10 IKEE O=C1/C(=C/C=C\c2ccccc2)SC(=NN=Cc2ccc(F)cc2)N1Cc1ccco1 1772758210 QAVUPNUAQBBVTH-SCVYRXLPSA-N 431.492 5.482 30 10 IKEE O=C(ON1C(=O)c2ccccc2C1=O)c1ccc(F)cc1-c1ccc(Cl)c(Cl)c1 1772790816 XNTPEKFMCFWSRD-UHFFFAOYSA-N 430.218 5.168 30 10 IKEE COc1ccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)nn2Cc2cccc(Cl)c2)cc1 1859402627 VKVOZXQULZYLTB-UHFFFAOYSA-N 442.906 5.384 30 10 IKEE CCCCCCCCCCNc1cc(N2CCN(C)CC2)nc(-c2ccc(Cl)cc2)n1 1859792485 FHHIGGSLMRPNKP-UHFFFAOYSA-N 444.067 6.101 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)CCc1ccc(OC)cc1 1861081100 XVWOIDJNXVYYEI-XMMPIXPASA-N 432.649 5.560 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)COc1cc(C)c(Cl)c(C)c1 1861637542 UJNWGVXFQBSHKT-OAQYLSRUSA-N 439.040 5.487 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccccc1Cl)c1ccc(F)cc1F 1862417780 ZWKHAQTUVSUVSB-NRFANRHFSA-N 445.893 5.919 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cccc2ccccc12)c1ccc(F)cc1F 1862420405 KFPKIEXEXKKPNM-QHCPKHFHSA-N 433.454 5.639 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(N(CC)CC)cc1 1862451497 HKNZSDPVIMNWLD-KSFYIVLOSA-N 440.971 5.563 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccccc2Cl)cc1 1862476616 MKCGRKFRTPNWPX-HSZRJFAPSA-N 435.951 6.117 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCc2ccc(C)cc2)c1 1862477037 ROAVUDRCNRJPAW-VWLOTQADSA-N 441.527 5.133 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCC2)cc1 1862482489 OLCJKZIMWYIZJQ-XMMPIXPASA-N 433.548 5.695 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cccc(OCc2ccccc2)c1 1862513258 RKCRMUGNTDANRI-DEOSSOPVSA-N 445.490 5.311 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@H]1c1cccc(C)c1 1862516106 YWGQRSDJCDARST-XMMPIXPASA-N 435.564 5.942 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(C(C)C)cc1 1862526356 DUVZKORBKBYDHW-FQEVSTJZSA-N 442.353 5.561 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1cccc(F)c1 1862530612 UMBIHTLYNILMRR-UPVQGACJSA-N 437.555 6.325 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@H]2c2cccc(O)c2)cc1 1862533626 MZNXCYSRAOXWAS-QHCPKHFHSA-N 447.918 5.387 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2c(Cl)cccc2Cl)cc1 1862538472 HTGXKEWCPMGHAR-NRFANRHFSA-N 446.374 6.180 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2Cc2ccco2)cc1 1862543201 ANDQFTCNAUJCNL-XMMPIXPASA-N 427.500 5.245 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc3cc[nH]c3c2)c1 1862561697 WTDLTUMENJKOAE-QHCPKHFHSA-N 429.520 5.051 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc(F)c1)c1ccc(Cl)c(Cl)c1 1862581301 DIZDSGVBKLZIID-LJQANCHMSA-N 446.261 5.504 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(CC)cc1 1862674625 ZNBHVJJJAYZMTP-LADGPHEKSA-N 437.555 6.325 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862687131 GMAOZJHYCXXOQP-XMMPIXPASA-N 445.490 5.175 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 1862691063 XISMXGVPWFHWTL-HXPMCKFVSA-N 434.319 5.379 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1c(Cl)cccc1Cl 1862744087 JBFVFBXMTLOLHG-SFHVURJKSA-N 449.290 5.280 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Cl)cc2Cl)=C(c2ccc(OCCC)cc2)C1=O 1863346442 GGMAMVXGZSEOHM-UHFFFAOYSA-N 431.319 5.160 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(F)c(C)c3)C2=O)c1 1863461069 RPUYJNZOBQUPCQ-UHFFFAOYSA-N 439.490 5.015 30 10 IKEE CCCCCCCCNC(=O)c1cc(Br)c(NC(C)=O)c(Br)c1 1866063505 CTJFWVICSSNJIS-UHFFFAOYSA-N 448.199 5.260 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)c2ccc(C(F)(F)C(C)(C)C)cc2)c1 1866138528 APFMNRKJKOYMBF-UHFFFAOYSA-N 446.497 6.488 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc(F)c2)cn1Cc1ccc(C)cc1 1870616113 ISTCBFXMCNOFMJ-UHFFFAOYSA-N 432.539 5.097 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2)c(CNc2ccc(C)c(C)c2)cc1=O 1870833371 GHTLZIZSOLPLJY-UHFFFAOYSA-N 432.608 6.475 30 10 IKEE C#CCOc1cn(Cc2ccccc2)c(CNc2ccc(Oc3ccccc3)cc2)cc1=O 1871006693 SDUAIVQJBURTQO-UHFFFAOYSA-N 436.511 5.313 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccco1)O3)CN(Cc1ccc(OC(C)(C)C)cc1)CO2 1871344625 AYAXXFAQDLLLDY-QRVIBDJDSA-N 445.515 5.734 30 10 IKEE CCCCC[C@@H](CC)N1COc2ccc3c(c2C1)O/C(=C\c1cccc(Cl)c1)C3=O 1871347764 URKXBDVLGHMJEQ-JVMBGAFUSA-N 425.956 6.467 30 10 IKEE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871376708 DYKQRATZCODYAQ-VUKSCFRFSA-N 438.479 5.795 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OC(=O)c3cccc(Oc4ccccc4)c3)ccc2C1=O 1871379025 GKWPQLLEUZFNOA-PKAZHMFMSA-N 448.474 6.623 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)CC1 1871382679 BCUOGPNQJCVBAG-JXRZFOIBSA-N 430.544 6.761 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O 1871424463 KLNQJHSXWBVCRA-QRVIBDJDSA-N 431.463 5.330 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1cccs1)C2=O)Nc1cc(Cl)cc(Cl)c1 1871452233 AHDUUHOQKRQHQF-GRSHGNNSSA-N 446.311 5.689 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(OCCC)cc2)[nH]c(N2CCCCC2)n1 1871725701 PNZNFNNRCGPKMT-UHFFFAOYSA-N 440.636 5.589 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(Cc2ccccc2)cc1)S(=O)(=O)CCC 1872290549 NUJUHVBAOSTHTR-XMMPIXPASA-N 442.625 5.003 30 10 IKEE CC(C)COC(=O)c1ccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1 1872847301 FERFEUOEVFZIBF-UHFFFAOYSA-N 428.488 5.202 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C(F)(F)F)cc2)=C(c2ccccc2)C1=O 1873413698 LDFXCIHOGUIVMU-UHFFFAOYSA-N 444.497 6.258 30 10 IKEE COc1cc(/C=N/Nc2oc(-c3cccs3)nc2C#N)ccc1OCc1ccc(C)cc1 1873462162 QZRKCGYWNIIOJI-VULFUBBASA-N 444.516 5.617 30 10 IKEE N#Cc1nc([C@@H]2C[C@H]2c2ccccc2)oc1N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1873470439 IBVIJOUYVVHZSP-YJLQFATCSA-N 448.482 5.483 30 10 IKEE CCCCSc1nnc(CCC)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1873501471 YAXWYFZLFWQCJC-PCLIKHOPSA-N 443.016 6.237 30 10 IKEE C=CCn1c(C(=O)Nc2ccccc2C(C)C)cc2c(NCc3ccc(F)cc3)ncnc21 1873611731 OZRGAOYNIACFEJ-UHFFFAOYSA-N 443.526 5.744 30 10 IKEE C=CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1cccc(F)c1 1874202823 AMIJHTMKHHRWMP-CVKSISIWSA-N 438.572 5.762 30 10 IKEE C=CCSc1nnc(Cc2ccc(OC)c(OC)c2)n1/N=C/c1ccc(C(C)C)cc1 1874238486 AHKDWDWWZOIGPE-PCLIKHOPSA-N 436.581 5.170 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2/N=C/c2ccc(OCC)cc2)CC1 1874287522 JLOKMWYTXPBQRI-XIEYBQDHSA-N 428.646 6.525 30 10 IKEE CCCCC1CCC(c2nnc(SCCc3ccccc3)n2/N=C/c2cccnc2)CC1 1874287644 PFARLLKSRHFNCG-VFCFBJKWSA-N 447.652 6.354 30 10 IKEE COc1ccc(CCc2nnc(SCc3ccccc3C)n2/N=C/c2ccco2)cc1 1874306435 WVPOZFYUCGEQIW-PCLIKHOPSA-N 432.549 5.148 30 10 IKEE Cc1cccc(/C=N/n2c(COc3ccc(C)cc3C)nnc2SCc2ccccc2)c1 1874327732 YFTKWLJONKGOIB-JVWAILMASA-N 442.588 5.957 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccccc3Cl)n2/N=C/c2cccc(F)c2)c1 1874366136 MJMRKDZJKUNNFZ-VULFUBBASA-N 436.943 6.221 30 10 IKEE Cn1cccc1/C=N/n1c(SCc2ccc(Cl)cc2)nnc1-c1ccccc1Cl 1874367911 PRUQCPOGDALWLA-ZMOGYAJESA-N 442.375 5.765 30 10 IKEE Cc1ccc(/C=N/n2c(COc3ccccc3)nnc2SCc2cccc(C)c2)cc1 1874383884 MYTCDIBLKWKHHI-WGOQTCKBSA-N 428.561 5.648 30 10 IKEE Cc1ccccc1CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1ccccc1F 1874392789 UVXNEKAGNSBCIG-FQNOVECQSA-N 430.552 6.052 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3)n2/N=C/c2ccc(F)cc2)c1 1874416940 PQNZPDRSKZDIER-JVWAILMASA-N 430.552 5.799 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2cccc(C)c2)nnc1C(F)(F)F 1874459313 HGAVABUVDCVOPD-DHRITJCHSA-N 434.487 5.569 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2cccc(F)c2)nnc1-c1ccco1 1874465848 DNTUHUNSJPNWAL-MFKUBSTISA-N 436.512 5.641 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2-c2ccco2)cc1 1874467035 OVYXADRVXZPVIZ-ZVHZXABRSA-N 438.940 5.765 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SCCC)nnc2-c2ccco2)cc1OCC 1874467405 HQYFXKOMPAUFDF-JJIBRWJFSA-N 442.585 5.890 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1cc(Cl)ccc1O 1874479491 CMTGJBMOHVDHQX-FSJBWODESA-N 435.380 5.808 30 10 IKEE Cc1ccc(CSc2nnc(CC(C)C)n2/N=C/c2ccc(C(F)(F)F)cc2)cc1 1874486449 RXKSLISUPVMDBR-LGJNPRDNSA-N 432.515 5.978 30 10 IKEE COC(=O)c1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CC2)cc1 1874520779 OCWPKGDFFLKTSZ-CVKSISIWSA-N 442.544 5.270 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2cccc(Cl)c2)c(C)c1 1874522883 QDJDMJLOXOIGIS-WYMPLXKRSA-N 439.972 5.039 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1cccc2ccccc12 1874528233 YFYWJKCWJGDBRR-DHRITJCHSA-N 441.387 6.475 30 10 IKEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccccc1OC(C)C 1874533496 LSTKQURKWNLRAE-FOKLQQMPSA-N 435.380 5.855 30 10 IKEE CCOc1c(Br)cc(Br)cc1/C=C/C(=O)c1ccccc1Cl 1874574935 MMZBWATWWIWKFT-BQYQJAHWSA-N 444.550 6.160 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccccc1OCc1nc(O)c2ccccc2n1 1874581640 YOWZVWOHASKQFU-OUKQBFOZSA-N 426.472 5.128 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C(C)C)cc2)c1OCc1cccc2ccccc12 1874584100 WOTSTJIEVBWRFT-VHEBQXMUSA-N 436.551 7.447 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1C 1874599831 GISLCLGRQIYCIW-JXMROGBWSA-N 441.354 7.094 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc1OCCc1ccccc1 1874601161 XCWWSFCLODITHY-NTCAYCPXSA-N 438.523 6.375 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OCCc1ccccc1 1874602177 YINPLGQBTICWRK-VAWYXSNFSA-N 433.460 5.130 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(Cl)c1OCc1ccccc1C 1874602298 FCOZLNISHLUQGV-SDNWHVSQSA-N 442.942 7.285 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3F)c([N+](=O)[O-])c2)cc1OC 1874602773 DGOUYJLHFYHTCD-JXMROGBWSA-N 437.423 5.226 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCc3cc(C)ccc3C)c(OC)c2)cc1 1874616967 CILIKPJUWZLIHV-RIYZIHGNSA-N 430.544 6.576 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OCc2cccc(C)c2)c(Cl)c1 1874624500 GUAKNHZGRCXRNJ-FMIVXFBMSA-N 448.990 7.430 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(OC)c1OCc1cccc(C)c1 1874634162 NUJIGFBNBSHSOI-ZHACJKMWSA-N 430.544 6.413 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(F)c3)c([N+](=O)[O-])c2)cc1Cl 1874636195 OORKLAWGGAHWIG-VMPITWQZSA-N 441.842 5.871 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(-n4cccc4)cc3)c2)cc1C 1874696180 MEQFLLCOZCPKNA-RIYZIHGNSA-N 437.495 5.910 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OC(=O)c1ccc(F)c(F)c1 1874697460 YYZKVWBAANDRSL-UXBLZVDNSA-N 428.818 5.742 30 10 IKEE O=C(Cc1cccs1)Oc1cccc(/C=C/C(=O)c2cccc(Br)c2)c1 1874697686 KVEFRQOTLJPZIF-MDZDMXLPSA-N 427.319 5.555 30 10 IKEE Cc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1C 1874698370 SNKWAHMXWQAKGK-NTUHNPAUSA-N 431.444 5.092 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3cc(OC)ccc3OC)c2)cc1 1874701228 HUOQPGRJVKBNLB-RIYZIHGNSA-N 446.499 5.147 30 10 IKEE O=C(Cc1cc(Cl)ccc1Cl)Oc1cccc(/C=C/C(=O)c2ccc(F)c(F)c2)c1 1874709629 LWHQMXLXORVXTK-RUDMXATFSA-N 447.264 6.316 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1OC(=O)c1cnc(C)cn1 1874711319 VRCAWCDWWDMHNJ-VQHVLOKHSA-N 430.504 5.143 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2F)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 1875097407 JQXXDXKYCOCEPJ-UKTHLTGXSA-N 445.446 5.728 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)cc1 1875117709 IPLVHMKDNYWGLK-WNJALKNKSA-N 432.903 5.954 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC3CCCCC3)c(OCC)c2)cc1 1875130489 JBGZGWMEWOQRRF-MHWRWJLKSA-N 436.548 6.256 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3ccccn3)c(OC)c2)cc1 1875137646 XGWJFCFWLKLUCG-MDWZMJQESA-N 447.487 5.003 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccc(Cl)cc1 1875150640 XVSJFWDXTGUORQ-PJQLUOCWSA-N 448.946 6.761 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1875169816 UAGYDVSBDHNKJU-XYOKQWHBSA-N 445.471 5.644 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(C)c(C)c2)cc1 1875182128 NZCSPHQCRPBJHM-XYOKQWHBSA-N 434.919 6.389 30 10 IKEE Cc1c(C(=O)N2CC=C(c3cncc(C#N)c3)CC2)c(-c2ccccc2)nn1-c1ccccc1 1890934909 FRBNFPHKGAHQNG-UHFFFAOYSA-N 445.526 5.044 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@H](C(F)F)N(C)C(=O)OC(C)(C)C)NCCC 1939761297 GNUBTNDKRPSZKD-VQTJNVASSA-N 426.548 5.018 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 1945528036 UTLJJFAFJWEGDS-ATZDWAIDSA-N 433.524 5.105 30 10 IKEE CC(C)(C)OC(=O)N1CC(C)(C)[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 1996508490 UVOANYZQUDIWHO-HSZRJFAPSA-N 449.979 5.621 30 10 IKEE N#CCCn1cc(C=CC(=O)N2CCC[C@H]2c2nc3ccccc3s2)c2ccccc21 2040430111 HQWQGEVGKBNZRB-QFIPXVFZSA-N 426.545 5.542 30 10 IKEE CCOC(=O)c1c(C(C)(C)C)nn(Cc2ccc(C(F)(F)F)cc2F)c1C(F)(F)F 2079033349 UBPFVUDHYHBICL-UHFFFAOYSA-N 440.359 5.582 30 10 IKEE COc1ccc([C@H](n2nc(C3CCC3)c(C=NO)c2Br)C(C)(C)C)c(C)c1 2079895503 UTGLYINTCUDIKK-IBGZPJMESA-N 434.378 5.674 30 10 IKEE CC(C)Oc1ccc([C@@H](n2nc(C(C)(C)C)c(C#N)c2Br)C2(C)CC2)cc1 2080057619 LNYYXYMKTGCYMJ-LJQANCHMSA-N 430.390 5.991 30 10 IKEE CC(C)(C)OC(=O)N(C[C@H]1CCCO1)[C@H](C#N)c1ccc(Br)c(Cl)c1F 2098121233 PCHXWCDEGJKIAL-BXUZGUMPSA-N 447.732 5.222 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCC(C)(C)C[C@H]2OCc2ccccc2)c1 2105748905 HULWDKBWHBOCGH-UFHPHHKVSA-N 448.607 6.794 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NC)c2c(F)cc(C)cc2Br)C1 2126625647 GARXODBBFSWDCY-QGZVFWFLSA-N 427.358 5.018 30 10 IKEE CCCN[C@@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)C1CCCCC1 2142980621 WVGMKRWBFGVHGJ-LJAQVGFWSA-N 446.683 5.463 30 10 IKEE C=CCC[C@H](C)[C@@H](NCCC)[C@H](O)c1cc(Br)c(Br)s1 2158322728 DWRQZQWPVWYBSQ-ZLKJLUDKSA-N 425.230 5.277 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](CNc1cc(Br)cc(F)c1C#N)c1ccccc1 2163707977 LVXXHASBWIIVGQ-SFHVURJKSA-N 434.309 5.138 30 10 IKEE CCCc1ccc(C#CC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)cc1 2223309747 FKTATHGFKQZVMQ-NLFFAJNJSA-N 435.564 5.058 30 10 IKEE Cc1cc(Br)cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)c1 2228980900 HDTKEJJARPWGPP-GOSISDBHSA-N 435.749 6.417 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)[C@@H](CCC(C)C)NC(=O)OC(C)(C)C 2235732504 SHVXAXQWTAOELV-WOJBJXKFSA-N 437.422 5.108 30 10 IKEE CCCCCCCC[C@@](C)(CO)N(C(=O)OC(C)(C)C)c1ccccc1Br 2240555135 CKCLNWRVXUQPKW-QFIPXVFZSA-N 442.438 6.692 30 10 IKEE Cc1sc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)[C@H](C)C(C)C)c1C 2255660126 CGSJQQVCQNKANM-GOSISDBHSA-N 441.446 5.351 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCCN)c1ccc(Br)c(Cl)c1F 2263012425 HXOVCSQAARRVOE-LJQANCHMSA-N 428.729 5.031 30 10 IKEE Cc1cc(C(=O)N(Cc2ccccc2)Cc2cccs2)ccc1B1OC(C)(C)C(C)(C)O1 2267602767 RFOXAUOLHHKGNF-UHFFFAOYSA-N 447.409 5.198 30 10 IKEE C=CCCC1([C@@H](NCC)c2cccc(Br)c2C)CN(C(=O)OC(C)(C)C)C1 2281038745 WBEZRDPXENYPEO-IBGZPJMESA-N 437.422 5.611 30 10 IKEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)Nc2ccccc2OCc2ccccc2)c1 2282689229 GBSFZFOAASUYSG-UHFFFAOYSA-N 443.352 5.126 30 10 IKEE Cc1ccc(N=C2NC(=O)C(=Cc3ccc(Sc4nc5ccccc5[nH]4)o3)S2)cc1 2293990251 KRPIAXGVVQOJKF-UHFFFAOYSA-N 432.530 5.507 30 10 IKEE CCN[C@H](C#Cc1ccccc1Cl)c1scc(Br)c1Br 2295215720 ABTKKNBUDQMXPG-CYBMUJFWSA-N 433.596 5.629 30 10 IKEE C[C@H](c1ccc(NC(=O)OC(C)(C)C)cc1)[C@@H](O)C#Cc1cccc(Br)c1 2296219972 TWSWDWPJRRGYRJ-QRWLVFNGSA-N 430.342 5.312 30 10 IKEE CC(C)(C)OC(=O)N[C@H](CC(=O)C#Cc1cccc(Br)c1)c1ccccc1 2296232628 PDTNBJPFHWTEMP-HXUWFJFHSA-N 428.326 5.026 30 10 IKEE CC(C)c1ccc([C@@H]2C(=C(O)c3ccc(Cl)cc3)C(=O)C(=O)N2Cc2ccco2)cc1 2296303809 KKJNQEZOLFNTKR-JOCHJYFZSA-N 435.907 5.678 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(OC(=O)c3ccccc3Br)cc2)c1 2314429721 NDVRHNRJBOFTKH-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE O=C(C=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(NC(=O)c2cccs2)cc1 2314523261 OLLGJDMGSUUIQM-UHFFFAOYSA-N 444.468 6.065 30 10 IKEE Cc1c(OCc2ccccc2Cl)ccc2c1OC(=Cc1c(Cl)cccc1Cl)C2=O 2321762134 BPVKEWJKFKCNKP-UHFFFAOYSA-N 445.729 7.150 30 10 IKEE COc1cccc(C=C2Oc3cc(OCc4c(Cl)cccc4Cl)cc(C)c3C2=O)c1 2321773177 BEAWVTAFPMJQFN-UHFFFAOYSA-N 441.310 6.506 30 10 IKEE COC(=O)c1ccc(COc2ccc3c(c2C)OC(=Cc2ccccc2Cl)C3=O)cc1 2321856583 DJKFCGVTVRHDMY-UHFFFAOYSA-N 434.875 5.630 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=CC=Cc1ccccc1)O3)CN(Cc1ccccc1Cl)CO2 2321958582 YSBDWSAIKWLCNX-UHFFFAOYSA-N 443.930 6.173 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Br)ccc2OCc2ccc(F)cc2)c1 2322371529 MJFQRJFYSFNEMJ-UHFFFAOYSA-N 441.296 6.072 30 10 IKEE O=C(COc1ccccc1C=CC(=O)c1ccc(Cl)c(Cl)c1)NCc1ccccc1 2322580370 ROAOARPEOXUZRX-UHFFFAOYSA-N 440.326 5.585 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)N[C@@H](C)c2ccccc2)cc1 2322595960 AQGPEJFAKRRYAQ-IBGZPJMESA-N 433.935 5.801 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(ccc(OC(=O)c4cccc(C)c4)c3C)C2=O)cc1 2322884135 IHZZRZYHTQVVAU-UHFFFAOYSA-N 441.527 5.985 30 10 IKEE Cc1c(OC(=O)Cc2ccccc2)ccc2c1OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2322884795 YOBAAWANTSRAIR-UHFFFAOYSA-N 439.294 6.066 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1Cl 2322975068 JNOSZVRITKYAGV-UHFFFAOYSA-N 446.905 7.116 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccccc4[N+](=O)[O-])c3C)C2=O)cc1 2323154112 WAFFTJBIZIUWNC-UHFFFAOYSA-N 445.427 5.137 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])cc(C)c3C2=O)cc1 2323154313 VSKWAYLUUXJLON-UHFFFAOYSA-N 429.428 5.301 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1cccc(C=CC(=O)c2cccc3ccccc23)c1 2323203312 SZVWOWGFDRGZLB-UHFFFAOYSA-N 435.523 6.370 30 10 IKEE CCCNC(=O)COc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-] 2323352539 JXKUGGRLPUYPSN-UHFFFAOYSA-N 444.487 5.063 30 10 IKEE Cc1cccc(COc2ccc(C=CC(=O)c3ccccc3Cl)cc2Br)c1 2323603918 NEXHANWJGUBPJA-UHFFFAOYSA-N 441.752 6.886 30 10 IKEE Cc1c(OC(=O)CCOc2ccccc2)ccc2c1OC(=Cc1ccc(N(C)C)cc1)C2=O 2323688194 QEQYWWHNMSREAO-UHFFFAOYSA-N 443.499 5.052 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)cc1 2323844221 KIMNEQCWMWFOSO-UHFFFAOYSA-N 449.478 5.147 30 10 IKEE CCOc1c(Br)cc(C=NNc2nc(C)c(C)s2)cc1Br 2323864932 XMXQJMDHJVUQAC-UHFFFAOYSA-N 433.169 5.130 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3CC)cc2)cc1 2323921434 NYPZVOXPMIHIRA-UHFFFAOYSA-N 443.543 5.951 30 10 IKEE CCn1cc(C=C2Oc3c(CN4C[C@@H](C)C[C@@H](C)C4)c(O)cc(C)c3C2=O)c2ccccc21 2324055157 LGHZPKYLVKWFQA-HDICACEKSA-N 444.575 5.769 30 10 IKEE Cc1c(OCCCc2ccccc2)ccc2c1OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2324281005 METVJNRGZUOFHR-UHFFFAOYSA-N 426.556 6.920 30 10 IKEE C[C@H](Oc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O)C(=O)Nc1ccc(F)cc1 2324306758 OHPGRSHFDQGOBI-KRWDZBQOSA-N 429.447 5.404 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc(O[C@H](C)C(=O)Nc3ccc(C)cc3)c2C)C1=O 2324379102 KQIVTQLSTNZJHD-GOSISDBHSA-N 443.499 5.334 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)Nc2cccc(Cl)c2C)cc2c1C(=O)C(=Cc1ccco1)O2 2324431285 TVTCTDUHGDIXCY-HNNXBMFYSA-N 437.879 5.572 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccc(C)cc4C)c3C)C2=O)cc1 2324893204 PDNYVMVFCKKEQZ-UHFFFAOYSA-N 427.500 5.554 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2cccc(C=CC(=O)c3ccc(C)cc3)c2)cc1 2325738493 XBWWBRQOJOEJCH-UHFFFAOYSA-N 428.528 6.218 30 10 IKEE Cc1cc(C(=O)C=Cc2cccc(OC(=O)[C@H]3C[C@H]3c3ccccc3Cl)c2)ccc1F 2325742149 ODZVOWDDSDQWNB-VXKWHMMOSA-N 434.894 6.393 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)c3cc4ccccc4n3C)c2)cc1C 2325771609 TXKYBTRXSWKUIO-UHFFFAOYSA-N 439.511 5.919 30 10 IKEE Cc1ccccc1CCC(=O)Oc1cccc(C=CC(=O)c2cc(Cl)ccc2Cl)c1 2325774557 JPTRGPNMBGBQQQ-UHFFFAOYSA-N 439.338 6.736 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1cccc(Cl)c1 2327187000 ZUASUGKKMXMBLK-UHFFFAOYSA-N 441.000 5.802 30 10 IKEE COc1ccc(OCc2nnc(SCc3cc(C)ccc3C)n2N=Cc2ccco2)cc1 2328394603 UXTPYXHBBAGEKE-UHFFFAOYSA-N 448.548 5.250 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3cc(C)ccc3C)n2N=Cc2ccc[nH]2)cc1 2328567858 YSKDIBNTLCHZOD-UHFFFAOYSA-N 445.592 5.387 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2ccc(O)cc2O)cc1 2329941829 PRMVPZUOKJSVSD-UHFFFAOYSA-N 444.560 5.071 30 10 IKEE Fc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCCc2ccccc2)c(F)c1 2330275975 LHPYDRLABGDXKO-UHFFFAOYSA-N 440.563 5.896 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cc(C)ccc3C)c(Cl)c2)cc1 2330743644 IDVGRTANDFCOCU-UHFFFAOYSA-N 432.947 6.563 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3ccc(F)cc3)c(OC)c2)c1 2330772911 MUJIFAMCMWRINH-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SCC)nnc2C2CCCC2)cc1OCC 2331056803 GFUCHIXFDKMBOP-UHFFFAOYSA-N 430.618 5.898 30 10 IKEE COc1ccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2OC)cc1 2331184686 QJFWYGXJDIEOAM-UHFFFAOYSA-N 446.499 5.365 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1N=Cc1ccc(C(C)C)cc1 2331325302 IKSZYPHJBMQQEI-UHFFFAOYSA-N 449.624 5.666 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(C(F)(F)F)cc2)cc1)c1ccc2c(c1)OCO2 2331434413 WUEPSWSPCNAYQK-UHFFFAOYSA-N 440.373 5.549 30 10 IKEE Brc1ccc(C=Nn2c(SCCc3ccccc3)nnc2C2CCC2)cc1 2331525994 TYZORJHFWTYTIY-UHFFFAOYSA-N 441.398 5.525 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1ccccc1Cl 2331565720 RWSKXQHCEVNPBB-UHFFFAOYSA-N 442.845 6.132 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1OC 2331641639 ONJANJZLPBFALS-UHFFFAOYSA-N 428.956 6.574 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)c1cccc(C)c1 2331668787 YURXVRDEUCIULF-UHFFFAOYSA-N 444.527 6.134 30 10 IKEE CCCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccc(C)c(C)c2)cc1OC 2331708690 KWRDJWQMQIDWAV-UHFFFAOYSA-N 431.326 5.676 30 10 IKEE C=CCc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)C1CCCC1 2331780105 BOUZNRVKSBFSQW-UHFFFAOYSA-N 432.560 6.341 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)C[C@@H]2CCCC[C@]2(C)C1 2354150967 OWNNQFDYJSNPKZ-USCONSEESA-N 433.390 6.443 30 10 IKEE CC1(C)CN(Cc2ccccc2)CC[C@@H]1Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2365052941 PBFLZYWDMRYHIJ-QHCPKHFHSA-N 447.432 5.439 30 10 IKEE O=C(C#Cc1ccn(C2CC2)n1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2366120549 FVIJJDXMJKZLGX-UHFFFAOYSA-N 448.522 5.610 30 10 IKEE Cc1cc(OCC(=O)Nc2sc3c(c2C#N)CCCC3)c(C(C)C)cc1Br 1984306 JUEVCRIGOMRWQD-UHFFFAOYSA-N 447.398 5.710 30 10 IKEE C(=N/c1ccc2c(c1)ncn2-c1ccccc1)\c1nc2ccccc2n1Cc1ccccc1 8387017 DZPQBVKHHBOOIB-RDRPBHBLSA-N 427.511 6.174 30 10 IKEE C/C(=N\Nc1nc(SCC(=O)Nc2cc(C)cc(C)c2)n[nH]1)c1ccc2ccccc2c1 20835558 HQRZMXMKFGYZAC-WPWMEQJKSA-N 444.564 5.142 30 10 IKEE Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2c(Cl)cccc2Cl)cc1 20883229 ZMVQCFXNIJVNDF-MRDQGFSESA-N 449.381 7.281 30 10 IKEE C=CCOc1ccc(/C=C2/CC/C(=C\c3ccc(OCC=C)c(OC)c3)C2=O)cc1OC 33448158 OGZFDKQGRDZPER-KBNZVFGVSA-N 432.516 5.663 30 10 IKEE Cc1cccc(NC(=O)[C@@]23CC[C@@](C)(/C(=N/OC(=O)c4cccc([N+](=O)[O-])c4)C2)C3(C)C)c1 33960534 HITJRJYIAZOJOM-STCJDUAWSA-N 449.507 5.271 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2Cl)S/C(=N/c2nccs2)N1C1CCCCC1 39865099 UIICWMJQZWQYCX-WVAULHCUSA-N 438.405 6.387 30 10 IKEE Cc1c(Cc2ccccc2Cl)c(N2C[C@@H](C)C[C@H](C)C2)n2c(nc3ccccc32)c1C#N 47163616 GKAJXBNOTGVTRC-ROUUACIJSA-N 442.994 6.394 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1CNc1nc2ccccc2n1Cc1ccc(C#N)cc1 95086494 KUUIXODBAGSPAO-OAQYLSRUSA-N 445.567 5.158 30 10 IKEE CCCCCCCCCCCCCCCCNCc1ccc(OCCOC)c(OC)c1 100125344 CHILQBGDHDVXFD-UHFFFAOYSA-N 435.693 7.291 30 10 IKEE Cc1oc(C)c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1Br 106298208 XIGKPWZZLOEXCV-UHFFFAOYSA-N 425.282 5.362 30 10 IKEE CCOc1cc(/C=N/Nc2ccc(F)cc2)ccc1OCc1c(Cl)cccc1Cl 169878968 PJNRTHCIMYBWHQ-LGJNPRDNSA-N 433.310 6.556 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)CCc2ccccc2)=C(O)C(=O)N1c1ccc(C)cc1C 169945405 BATZNZMLNFCXIM-AREMUKBSSA-N 441.527 5.414 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1c1ccc(C#N)cc1 169945667 YAMSNOLOJXQZIL-JOCHJYFZSA-N 444.874 5.003 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@@H]1c1cccnc1)c1cc2ccccc2o1 170008154 KKUCSZKBGMCAQQ-RUZDIDTESA-N 446.462 5.764 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc3ccccc23)cc1 170045631 AYQMRNWGPVKLRA-DEOSSOPVSA-N 439.467 5.220 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccccc2)c1 170055119 SBDWRJXFWZKNEU-DEOSSOPVSA-N 445.490 5.045 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1c[nH]c2ccccc12)c1cccc(Cl)c1 170076692 IVLWMLCOHWCXPG-NRFANRHFSA-N 432.863 5.193 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccc(O)cc2)c1 170131918 QRSPPESAUROGOY-DEOSSOPVSA-N 443.499 5.272 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cccs1 170166458 BMUJEQMFFYCCGI-OAQYLSRUSA-N 439.577 5.575 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccncc2)cc1 170203775 SZXNHIBFZUKVEU-JOCHJYFZSA-N 448.906 5.307 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2)[C@H]1c1ccc(OCC)cc1 170214397 FUHCKBAOWKECIA-HSZRJFAPSA-N 437.536 5.253 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(OC)c3)=C(O)C(=O)N2CCC)cc1 170215544 SAWFMSVTLYFOHV-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCCC)c2)[C@H]1c1ccc(O)c(Cl)c1 170219585 IACQDKFKCFVFQG-OAQYLSRUSA-N 443.927 5.213 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccccc1)c1ccc(Cl)c(Cl)c1 170221786 BWFOMFGRYCSVMM-IBGZPJMESA-N 444.339 5.833 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(Cl)c(Cl)c1 170246539 BXFWSOSBEOCZED-OAQYLSRUSA-N 440.326 6.135 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)cc(C)c3OC)[C@@H]2c2ccc(C)o2)cc1 170301327 JFBLKNTWPBVAMC-QFIPXVFZSA-N 447.487 5.005 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1sccc1C 170315462 OFIONTHDSYXPQJ-HSZRJFAPSA-N 443.568 6.027 30 10 IKEE CC1CCN(c2ccc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccco3)cc2)CC1 170400099 XKFPXKHMSWIKLG-JOCHJYFZSA-N 448.544 5.360 30 10 IKEE Cc1ccc(C(=O)C2=NN(c3ccc(Cl)cc3)[C@H](C#N)[C@@H]2c2ccc(Cl)cc2)cc1 248144774 HGZUSTWWQGOJEC-YADHBBJMSA-N 434.326 6.037 30 10 IKEE O=[N+]([O-])c1cccc(/C=C/C=Nc2ccc3oc(-c4cccc(Br)c4)nc3c2)c1 252628699 SVVNCOSUAMKAGP-XAVUPTSGSA-N 448.276 6.581 30 10 IKEE C=CCn1c(S[C@H](C)C(=O)Nc2c(Cl)cccc2Cl)nc2ccccc2c1=O 253490666 JRFWGWTVTLXVRB-GFCCVEGCSA-N 434.348 5.009 30 10 IKEE CC(=NN1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccccc1Cl)c1ccc(Cl)cc1 254312535 MZWMSJYEFDKGQE-DEOSSOPVSA-N 438.358 5.761 30 10 IKEE C=C([C@@H](NCCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br)C(F)(F)F 406950992 ZQOLGELQEAQOOY-OAHLLOKOSA-N 437.300 5.955 30 10 IKEE C=CCN(C[C@H](NCC)c1ccc(Br)c(Cl)c1F)C(=O)OC(C)(C)C 407589530 SRVBKYIMSLNDAE-AWEZNQCLSA-N 435.765 5.315 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccc(O)c2)c1 526487259 WBFBDYSQHZJWCB-XMMPIXPASA-N 426.472 5.110 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@@H]2c2ccc(Br)cc2)cc1 526487890 AXUVRUQWLMONPE-NRFANRHFSA-N 449.279 5.517 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccc3ccccc23)c1 526772998 NLJRQFVSRFTXMI-AREMUKBSSA-N 449.506 6.021 30 10 IKEE COc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2cccc(C)c2)cc1 526809162 WHPTYSUURIVKNM-ONUIUJJFSA-N 428.561 5.360 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@]1(C#N)CCOc2ccc(Br)cc21 698369385 IMBQTBDEVITENQ-NRFANRHFSA-N 429.314 5.392 30 10 IKEE C[C@H](C[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1)c1ccccc1 698441506 ANMVYKVXKQMRBY-OXQOHEQNSA-N 429.358 6.277 30 10 IKEE C=CCC1([C@H](C[C@H](C)COCc2ccccc2)NCCC)CN(C(=O)OC(C)(C)C)C1 722941742 VXCYHTMCPFZBBA-GMAHTHKFSA-N 430.633 5.411 30 10 IKEE CCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2cc(C)ccc2OC)cc1 748295076 YZEMAKAWXTXVAP-UHFFFAOYSA-O 430.553 5.049 30 10 IKEE CC(=NN1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 1084391366 MKQQAMCGDSQPIA-DEOSSOPVSA-N 448.910 5.015 30 10 IKEE NC[C@@H]1CCC[C@@H](C/N=C(/Nc2ccc(OCc3ccccc3)cc2)N2CCCCC2)C1 1088736251 PNCMOMMNMGHSKW-DNQXCXABSA-N 434.628 5.285 30 10 IKEE C/C(=C1/SC(=Nc2ccncc2Cl)N(c2ccccc2)C1=O)c1ccc(Cl)cc1 1772738812 WHTUOZFAEOXNKH-NKFJNAIASA-N 440.355 6.587 30 10 IKEE O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=Nc2ccncc2Cl)N1C1CCCCC1 1772739113 YEEDSDGXGNBKSH-DGIAZZNKSA-N 442.928 5.580 30 10 IKEE O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=Nc2ccncc2Cl)N1C1CCCCC1 1772739114 YEEDSDGXGNBKSH-MPZUNYIRSA-N 442.928 5.580 30 10 IKEE CCCCc1ccc(C[C@H]2SC(=NN=Cc3ccc(-c4ccccc4)o3)NC2=O)cc1 1772742225 HNECBFREUVWPCN-HSZRJFAPSA-N 431.561 5.453 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=Nc1ccc(C(=O)O)cc1 1772762628 LNCHSBFATSQWQB-HJTUMBPSSA-N 433.316 5.482 30 10 IKEE Cc1ccc(-c2nn(-c3cccc(C)c3)cc2/C=N\NC(=S)Nc2cccc(F)c2)cc1 1857809132 MLXJALRXAYVFJA-DICXZTSXSA-N 443.551 5.616 30 10 IKEE N#Cc1c(-c2ccccc2)ccnc1Nc1cccc(-c2csc(-c3cccnc3)n2)c1 1859861954 OPHHTMVNBXQFFV-UHFFFAOYSA-N 431.524 6.549 30 10 IKEE N#Cc1cccc(C(=O)Oc2ccc(C3=CCN(C(=O)c4ccc(Cl)cc4)CC3)cc2)c1 1860674046 KEUKVNQZWXGGEB-UHFFFAOYSA-N 442.902 5.360 30 10 IKEE CCCCCCCCCCNC(=O)/C=C/c1ccc(OCc2ccccc2Cl)cc1 1861875476 KSYQNCFGPIUGDN-KNTRCKAVSA-N 428.016 7.189 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccccc1Cl 1862381248 VTGNLIRSCNXDNB-VOJFVSQTSA-N 438.738 6.024 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 1862391200 VRNXPIMNPHKANO-RUZDIDTESA-N 443.518 5.947 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1cccc(F)c1 1862457198 KPRUGQGSMOLZBL-FQEVSTJZSA-N 435.417 5.402 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(C(C)C)cc1 1862469070 DTKYDZQAQINHCF-IBGZPJMESA-N 428.326 5.171 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(C(C)C)cc2)cc1 1862476454 AHAPOYNQOHXTCL-AREMUKBSSA-N 439.555 6.205 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(C(F)(F)F)cc1 1862508706 OMFNSNMBDHIZQB-ORAYPTAESA-N 435.417 5.530 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccc(C)cc2)cc1 1862534648 WKNLWPUYPZSHPU-UQBPGWFLSA-N 425.528 5.897 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2cccc(Cl)c2)cc1 1862535501 DPDXOQDTZNCWEN-XMMPIXPASA-N 449.978 6.371 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2cccc(Cl)c2)cc1 1862535812 KUOHXPSJFOAEAP-HSZRJFAPSA-N 431.919 5.681 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCCCc2ccccc2)cc1 1862554387 BHSUHFMIUJSWLK-VWLOTQADSA-N 440.543 5.178 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccc(O)cc2)cc1 1862663136 PRPUTXOJXRQUEN-DEOSSOPVSA-N 445.490 5.433 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@@H]1c1ccccc1Cl)c1ccc(F)cc1 1862675980 XWRGNSUNTDXEMF-JOCHJYFZSA-N 439.914 5.948 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1cccc(F)c1 1862703472 VHEIFJKCWCLBID-NFBKMPQASA-N 439.527 5.772 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862736980 QPHYXQAXBRKLFL-GAJHUEQPSA-N 442.471 5.243 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862746248 BKIGANASNIGIDW-JOCHJYFZSA-N 434.492 5.204 30 10 IKEE CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2sc3c(c2C#N)CCC3)cc1 1866082141 YYBXRXFUPGDSGW-UHFFFAOYSA-N 443.572 5.911 30 10 IKEE CC(C)(C)c1ccc(/C=C/C(=O)Nc2c(C#N)nnn2-c2ccc(C(F)(F)F)cc2)cc1 1870140985 UKCATZIPTUANDA-AWNIVKPZSA-N 439.441 5.107 30 10 IKEE CCCCCCCOc1cn(CCCCCC)c(CNc2ccc3cc[nH]c3c2)cc1=O 1870839598 SBUYYJPGRBMRFD-UHFFFAOYSA-N 437.628 6.871 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCCC)c(=O)cc1CNc1ccccc1 1871235031 SSIFJOPOTYIQOO-UHFFFAOYSA-N 428.573 5.153 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(Cl)c(Cl)c1)C3=O)CN(CCC(C)C)CO2 1871359687 VUBWPBMZZCJSAA-UKWGHVSLSA-N 432.347 6.116 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1cc(C)c2c(c1)O/C(=C\c1cccnc1)C2=O 1871371553 WMDUQUIXXQYHEA-UCQKPKSFSA-N 429.472 5.079 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc2c(c1)O/C(=C\c1ccccc1OC(F)F)C2=O 1871371726 FQPMUNNENIKBAF-MTJSOVHGSA-N 440.373 5.191 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4cccc(OCC(C)C)c4)ccc3C2=O)cc1 1871379074 JJJRKHUVNWHRND-MXAYSNPKSA-N 428.484 5.865 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OCc3ccc(C(=O)OC(C)C)o3)ccc2C1=O 1871439204 NLDIKCWMWJLVQE-FMCGGJTJSA-N 434.444 5.049 30 10 IKEE Cc1cccc(COc2ccc3c(c2C)O/C(=C\c2c(Cl)cccc2Cl)C3=O)c1 1871455395 QGZITEMPHDIGAF-UUYOSTAYSA-N 425.311 6.805 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3c(Cl)ccc(Cl)c3Cl)n2)cc1 1872764587 RFMITIGALOGCDJ-GFCCVEGCSA-N 437.735 6.269 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc1OC 1872780105 ZUCWLCLOFXGADQ-KZJSRBBCSA-N 440.471 5.385 30 10 IKEE COc1cc(C(=O)[C@@H](C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc(OC)c1OC 1872786887 VLBAQZMQHCWCDI-QGZVFWFLSA-N 436.533 5.251 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1C 1872787301 GOBWSTKPTLHTHX-MRXNPFEDSA-N 441.896 5.487 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@H](C#N)C(=O)CCc2ccc(Cl)cc2)n1 1872787949 BPFIWULJDWVUST-QGZVFWFLSA-N 431.344 5.935 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1Cl 1872789731 SKYDLKYBCJDMBT-ZDUSSCGKSA-N 448.287 5.524 30 10 IKEE Cc1sc(C2=C(N)N(c3cc(C(C)C)cc(C(C)C)c3)CC2=O)nc1-c1ccccc1 1872796137 NDCAPFAFZPDGSI-UHFFFAOYSA-N 431.605 6.082 30 10 IKEE COc1cccc(N2CC(=O)C(c3nc(-c4ccccc4)c(-c4ccccc4)s3)=C2N)c1 1873527939 ZDBRHPRTFHZKMA-UHFFFAOYSA-N 439.540 5.202 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(N(CC)CC)cc2C)cc2c(NCCC(C)C)ncnc21 1873610667 BDZMEOFGZNTHRI-UHFFFAOYSA-N 448.615 5.482 30 10 IKEE COc1cc(/C=N/Nc2ccnc(Cl)n2)ccc1OCc1c(Cl)cccc1Cl 1873795179 ALVGJKBPHIJNRN-YSURURNPSA-N 437.714 5.470 30 10 IKEE C=CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1ccc(C)cc1 1874203452 CIZUJQVVDYRABH-WGOQTCKBSA-N 434.609 5.932 30 10 IKEE C=CCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874342654 BGQPDJXAIYGZOL-WSDLNYQXSA-N 448.335 5.244 30 10 IKEE CCCCOc1ccc(/C=N/n2c(Cc3ccc(OC)cc3)nnc2SCCC)cc1 1874351674 DGAQKDPZFBXVOI-XIEYBQDHSA-N 438.597 5.441 30 10 IKEE COc1ccccc1/C=N/n1c(Cc2ccc(C)cc2)nnc1SCc1cccc(C)c1 1874388475 NVHYGUYZALLYOA-WPWMEQJKSA-N 442.588 5.669 30 10 IKEE COc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 1874398825 PQRYOCRTRNXJDH-WPWMEQJKSA-N 446.551 5.386 30 10 IKEE CCCOc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCC)cc1OCC 1874407472 YVIWBIYVFRJGAY-JJIBRWJFSA-N 430.618 5.583 30 10 IKEE C=C(C)CSc1nnc(CC2CCCCC2)n1/N=C/c1c(OC)ccc2ccccc12 1874407918 VWWAELJAOCGBPZ-WGOQTCKBSA-N 434.609 6.113 30 10 IKEE Fc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2cccc(Cl)c2)cc1 1874419687 ZPRUUZXHQOPDDV-CVKSISIWSA-N 436.943 5.836 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2ccccn2)c(Cl)c1 1874430281 BAACFZHKMJJWNT-DHRITJCHSA-N 440.359 5.821 30 10 IKEE CCCOc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccccc2C)cc1 1874437381 YAXIPVWVISNRSU-YZSQISJMSA-N 436.625 6.138 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccccc1Cl 1874482568 HMMVQJPRKZGMEU-WSDLNYQXSA-N 429.933 5.312 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccccc1F 1874492676 YTUCYBNLYOFRSY-BHGWPJFGSA-N 437.371 6.097 30 10 IKEE CCCOc1cccc(/C=N/n2c(CCC)nnc2SCc2ccc([N+](=O)[O-])cc2)c1 1874506524 HOCYKESYICNISB-HZHRSRAPSA-N 439.541 5.102 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccccc1Cl 1874511436 YFYVHZJJOGMBMA-FOKLQQMPSA-N 439.799 6.365 30 10 IKEE COc1cc(/C=N/n2c(SC)nnc2C2CC2)ccc1OCc1ccc(Cl)cc1 1874515352 XSWVPDZNTXEXQW-FSJBWODESA-N 428.945 5.001 30 10 IKEE CCc1nnc(SCc2ccccc2)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874527049 UEBBXMKNXPIJTC-YZSQISJMSA-N 442.544 5.234 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2C)c1 1874572204 BBBXQMNZIXZWEW-ZRDIBKRKSA-N 449.934 5.879 30 10 IKEE CCc1ccc(C(=O)/C=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)cc1 1874573054 STLAVGXYWTUYAP-WUKNDPDISA-N 437.495 6.786 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2cccc(C)c2C)cc1C 1874573950 NBTYOHZZBHVWJT-WYMLVPIESA-N 429.516 5.534 30 10 IKEE Cc1ccc(C(=O)/C=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)c(C)c1 1874579096 WBVSYNCYTKGBTJ-CCEZHUSRSA-N 426.943 7.585 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 1874580732 DDYOIPGXRNKVEA-UXBLZVDNSA-N 437.879 6.040 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1cccc2ccccc12)c1cccc2ccccc12 1874583431 MODJFKKYTKIVGU-BMRADRMJSA-N 448.949 8.122 30 10 IKEE O=C(COc1ccccc1/C=C/C(=O)c1cc(Cl)ccc1Cl)NCc1ccco1 1874591353 GLRBRBBPBZUJFY-JXMROGBWSA-N 430.287 5.178 30 10 IKEE CCc1ccc(NC(=O)COc2cc(/C=C/C(=O)c3ccc(C)cc3C)ccc2OC)cc1 1874596183 IVKZADZHKBPQAN-NTEUORMPSA-N 443.543 5.788 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCc3cccc4ccccc34)c(OC)c2)cc1 1874615069 FQDOKJOFFHQXRB-GZTJUZNOSA-N 438.523 6.722 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3F)cc2)cc1 1874616612 KIACZUVTSHKVGM-CXUHLZMHSA-N 433.479 5.528 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)c1 1874620528 FXGGVMJOIHIHDN-DHZHZOJOSA-N 438.907 5.841 30 10 IKEE C=C(C)COc1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1Br 1874627942 DVTVUHNXWRRPIQ-RIYZIHGNSA-N 449.344 7.092 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCc3ccccc3C)c([N+](=O)[O-])c2)cc1C 1874636919 ZMFYOKOZWGOMBO-PKNBQFBNSA-N 431.488 6.004 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1OC(=O)COc1ccccc1 1874710711 ICBIBDAVOYIOMH-ZRDIBKRKSA-N 446.499 5.201 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)[C@H](C)c3ccccc3)c2)cc1C(C)C 1874710733 IMGNKLVBEHPBQS-IBUXMESJSA-N 442.555 6.732 30 10 IKEE CC(C)COc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(F)c(F)c3)c2)cc1 1874710793 JLQUYTAWDTVZKI-AWNIVKPZSA-N 436.454 6.115 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cccc(Oc4ccccc4)c3)c2)cc1C 1874714404 UMKBUJQAVMLKCH-BMRADRMJSA-N 448.518 7.211 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC(=O)Cc2ccc(Cl)cc2)c1 1874715826 NPCHSBZXDCBXOV-RVDMUPIBSA-N 446.974 6.990 30 10 IKEE C=CCN(CC=C)CCC(=O)c1ccc(NC(=O)CCCOc2c(C)cccc2C)cc1 1874751664 SVNXYPXIXIPIHQ-UHFFFAOYSA-N 434.580 5.348 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(C(C)C)cc2)CSc2nnc(CC)n21 1874837360 KQGFHGHHLLYHNV-OAQYLSRUSA-N 428.646 6.026 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc4ccccc4c3)cc2)cc1C 1875094678 DGOCVQRUJHYYSU-MHWRWJLKSA-N 436.507 6.337 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)ccc1OC(=O)Cc1ccc(C)cc1 1875100927 KQWNAQKXTBBUFC-WYMLVPIESA-N 430.500 5.447 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3)c(Cl)c2)cc1C 1875108575 VMBFFSXCNBPQKG-XYOKQWHBSA-N 434.919 6.091 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)cc3)cc2OC)cc1 1875115007 IBJIFOYZDDCVFN-CXUHLZMHSA-N 444.527 5.701 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3F)cc2Cl)cc1 1875120807 LIYMWQRFTAEUJG-ONNFQVAWSA-N 442.845 5.671 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)Cc1ccccc1Cl 1875142560 JBEKQVKSXZFVRL-YRNVUSSQSA-N 438.882 5.840 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(Cl)cc3)cc2)cc1 1875148309 AUOGSWIEPALBPJ-UBKPWBPPSA-N 448.946 6.518 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)Cc1ccc(F)cc1 1875150620 WUUGPRGOIUYQDS-VIZOYTHASA-N 446.518 6.176 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)COc1ccccc1CC 1875158927 UEOUJARWUHULFL-OQLLNIDSSA-N 448.490 5.667 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)CC(C)C)c(Cl)c1 1875161080 XKKTXTPMYBFZKQ-JXMROGBWSA-N 428.956 6.494 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)cc3)c(Cl)c2)c(C)c1 1875182613 LYUHMEKIFYZZJH-UXBLZVDNSA-N 436.910 6.449 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2cccnc2)c(Cl)c1 1875192761 ASLJZTKOGQZXMH-QPJJXVBHSA-N 428.271 5.512 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)c1c(Br)cccc1Br 1937843136 NNGFWVCDROZBIS-DZGCQCFKSA-N 449.183 5.105 30 10 IKEE CC[C@@H](NC(=O)OC(C)(C)C)[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1cccc(OC)c1 1941060531 BZNIYROBEZDFIP-WZONZLPQSA-N 433.549 5.022 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C1 1944698499 RTHCBZKWPUWGGO-VQIMIIECSA-N 449.979 5.621 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]1(C)[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 1999896364 ICDDZJJKMXYCKC-GOTSBHOMSA-N 433.524 5.249 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H](CNC(=O)OC(C)(C)C)CC(C)C)cc1 2033647191 AHGBSBBDWUXKEA-PZJWPPBQSA-N 445.604 5.816 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)Cc2ccc(Cl)c(Br)c2)C1 2062969675 TUJNSZRXQPQZPT-UHFFFAOYSA-N 428.754 5.075 30 10 IKEE CC[C@H](c1ccc(C2CC2)cc1)n1nc(C2CC2)c(/C=N/O)c1I 2079035003 WOOHAKQPQGQGLC-LASGFXPTSA-N 435.309 5.050 30 10 IKEE Cc1ccc([C@@H](n2nc(C3CC3)c(C#N)c2I)C2(C)CC2)cc1F 2079102284 NAYDJCWWGFHKAU-QGZVFWFLSA-N 435.284 5.074 30 10 IKEE CC(C)c1ccc([C@H](C2CCC2)n2nc(C3(C)CC3)c(C=NO)c2Br)cc1 2079957153 JAYSJJFDHWDCAP-IBGZPJMESA-N 430.390 6.018 30 10 IKEE CC(=O)Oc1ccc([C@H](n2nc(C(C)(C)C)c(C#N)c2Br)C2(C)CC2)cc1 2080079733 LBRJRHVQOVRQIX-SFHVURJKSA-N 430.346 5.130 30 10 IKEE N#Cc1c(-c2ccccc2)nn(Cc2ccc(C(F)(F)F)c(Br)c2)c1Cl 2080300250 KGDVSLCCRIAFGF-UHFFFAOYSA-N 440.650 5.905 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1n1nc(-c2ccccc2)c(C#N)c1Br 2080353621 WVGMPKYMAXNHHP-MRXNPFEDSA-N 431.334 5.104 30 10 IKEE COc1ccc(Cn2nc(-c3ccccc3)c(C#N)c2Br)c(Br)c1 2080357306 VJDXGNDFMPECOQ-UHFFFAOYSA-N 447.130 5.004 30 10 IKEE CCc1nn2c(Cl)c(C#N)cnc2c1-c1ccc(C(F)(F)F)cc1Br 2081430631 BWTGRDSIVFQFIQ-UHFFFAOYSA-N 429.627 5.265 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCC[C@H]2CSC[C@@H]21 2087834031 OOKKBIPOTZNISV-VHFSOBRXSA-N 437.403 5.616 30 10 IKEE CC(C)(C)OC(=O)NCc1ccc(CNc2ccc(Br)cc2C#N)c(F)c1 2162388582 ZRKNHMUABISGMB-UHFFFAOYSA-N 434.309 5.097 30 10 IKEE C[C@H](Nc1ccc(Br)c(C#N)c1)c1ccc(CNC(=O)OC(C)(C)C)cc1 2187551321 KNRPLXKYCKBLHR-AWEZNQCLSA-N 430.346 5.519 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)[C@H]1C[C@@H]1c1ccccc1 2200291625 FDYWAJJRSNSHCR-FUHIMQAGSA-N 427.342 5.886 30 10 IKEE CC1(C)OB(c2ccc(CN(Cc3ccccc3)Cc3cccs3)s2)OC1(C)C 2211080901 SVLXGAHWGLGDSN-UHFFFAOYSA-N 425.428 5.311 30 10 IKEE C=CCCCCC[C@@H](N)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2229113340 GXIAJEZMJQCGNU-MOPGFXCFSA-N 425.411 5.349 30 10 IKEE C=CCCCC[C@@H](NC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229117207 WZVMFURZTGGARK-MOPGFXCFSA-N 425.411 5.219 30 10 IKEE CC(C)(C)OC(=O)N1CCc2sc(C(=O)C#Cc3ccccc3Br)cc2C1 2235746908 LYDQXHYDKHPWEP-UHFFFAOYSA-N 446.366 5.038 30 10 IKEE CCCCCCCC[C@@](C)(CO)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2240556085 LXHDVLSKCVJQPC-QFIPXVFZSA-N 442.438 6.692 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Cl)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 2252756645 AYKXEQVDXQGIRX-QHCPKHFHSA-N 441.015 5.887 30 10 IKEE Cc1sc(C(=O)N(Cc2ccccc2)CC2CCC2)c(C)c1B1OC(C)(C)C(C)(C)O1 2255597879 LSSGYPHOMNVTLF-UHFFFAOYSA-N 439.430 5.107 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCCN)c1ccc(Cl)c(Br)c1F 2262622000 KUDQLLXMDGHLNR-IBGZPJMESA-N 428.729 5.031 30 10 IKEE CCCN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1c(Br)cccc1C#N 2285221568 YAVSGOLDSBJSNJ-UHFFFAOYSA-N 436.394 5.184 30 10 IKEE Cc1ccc(N=C2SC(=C3Sc4ccccc4N3C)C(=O)N2C2CCCCC2)cc1C 2295172598 HNEYUFJSHOMZMI-UHFFFAOYSA-N 449.645 6.610 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)C[C@H](NC(=O)OC(C)(C)C)[C@H](C)CC 2296290977 JLXUZXQVQIGAHB-UXPWSPDFSA-N 437.422 5.108 30 10 IKEE C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC(=Cc1ccc(C(F)(F)F)cc1)C2=O 2296741689 LJQHVTRFOZQNII-PWHFEESISA-N 444.537 6.592 30 10 IKEE O=C1SC(SCc2ccccc2)=NC1=Cc1cc2c(cc1Br)OCO2 2297366937 NFIXVZHXHDRPSR-UHFFFAOYSA-N 434.336 5.082 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@H](C#N)[C@]1(C)CCCCN1C(=O)OC(C)(C)C 2302518720 IWORSLFTNBGHQY-CYFREDJKSA-N 435.609 5.628 30 10 IKEE O=C(C=Cc1ccc(-c2ccc(Cl)cc2)o1)c1cccc(NC(=O)c2cccs2)c1 2314523058 HOJOAEZGYDLLGA-UHFFFAOYSA-N 433.916 6.810 30 10 IKEE COc1cc(C=C2SC(=Nc3ccncc3Cl)N(C3CCCCC3)C2=O)ccc1O 2314542233 IFYTXGTVERBPLD-UHFFFAOYSA-N 443.956 5.386 30 10 IKEE Cc1ccc(C)c(COc2ccc3c(c2C)OC(=Cc2cccc(Br)c2)C3=O)c1 2321758073 GZLZTUDTPLCIQA-UHFFFAOYSA-N 449.344 6.570 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1cn(C)c4ccccc14)O3)CN([C@@H]1CCCC[C@H]1C)CO2 2322153222 LIIUMEFEDBVKIT-VGOFRKELSA-N 442.559 5.834 30 10 IKEE CCCCCN1COc2c(cc3c(c2C)OC(=Cc2cccc(Br)c2)C3=O)C1 2322346951 CTPGGDRCCPRMJS-UHFFFAOYSA-N 442.353 5.716 30 10 IKEE Cc1ccc(COc2ccc(Cl)cc2C=CC(=O)c2ccc(Cl)cc2Cl)cc1 2322391139 RTRPRZYZVDHZGB-UHFFFAOYSA-N 431.746 7.430 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccc(OC)cc1 2322450100 DUORRPXMNOFDTM-UHFFFAOYSA-N 445.559 5.772 30 10 IKEE CCc1ccc([C@H](C)N2COc3c(cc4c(c3C)OC(=Cc3ccc(C)cc3)C4=O)C2)cc1 2322455473 MVKXTWREIKZHIN-FQEVSTJZSA-N 439.555 6.395 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C)c(C)c2)c1OCc1ccc(Cl)cc1Cl 2322900985 UNOXKOBAIXFUQK-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2c(C)cc(C)cc2C)c1OCc1ccc(C)cc1 2322948889 NHFOJWOTMOFHDM-UHFFFAOYSA-N 434.963 7.057 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCc3nc(O)c4ccccc4n3)c2)cc1C 2323078855 KHKDYOCNJCZCES-UHFFFAOYSA-N 426.472 5.128 30 10 IKEE CCOc1cc(C=NNc2nc(C)cc(O)n2)ccc1OCc1ccc(Cl)cc1Cl 2323106106 MKPSFZPUJJCNRM-UHFFFAOYSA-N 447.322 5.221 30 10 IKEE CCOc1c(Br)cc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1OC 2323529518 JOSRZJHSGXTZKO-UHFFFAOYSA-N 430.125 6.059 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2F)c(Cl)c1)c1ccc(Br)cc1 2323582522 CHPAXRLJYYXKPZ-UHFFFAOYSA-N 445.715 6.717 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc(OC(C)C)cc4)c3C)C2=O)cc1 2323813880 MMTQCFSRMGXONS-UHFFFAOYSA-N 442.511 6.180 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1ccc(F)cc1 2324184204 FZXQSXXQHAUFEY-UHFFFAOYSA-N 445.715 6.717 30 10 IKEE CCCOC(=O)COc1c(Cl)cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1OC 2324331945 IJGQZRGHHFSMAJ-UHFFFAOYSA-N 444.955 5.810 30 10 IKEE CCCOc1ccc(C=CC(=O)c2cc(OCC)ccc2OCC)cc1Br 2324391710 GGZKCVCIKSYDHB-UHFFFAOYSA-N 433.342 5.931 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2cccc(C)c2)C3=O)cc1 2324452404 GYKWPKZENHTEGD-GOSISDBHSA-N 443.499 5.334 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(F)cc2)c(Cl)c1)c1cc(Cl)ccc1Cl 2324654011 XORBWBMQUGFJTO-UHFFFAOYSA-N 435.709 7.261 30 10 IKEE Cc1cc(OCc2ccc(C#N)cc2)cc2c1C(=O)C(=Cc1ccc(-c3ccccc3)cc1)O2 2324762454 XZERFKAPSRRTRN-UHFFFAOYSA-N 443.502 6.729 30 10 IKEE COc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc1OC 2324787729 IDASCWSKVLABOE-LJQANCHMSA-N 432.545 5.642 30 10 IKEE CCCOC(=O)[C@H](CC)Oc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1Cl)C2=O 2325079303 YFLWDYQSLCUGKJ-SFHVURJKSA-N 435.303 5.720 30 10 IKEE CN(C)c1ccc(C=C2Oc3cc(OC(c4ccccc4)c4ccccc4)ccc3C2=O)cc1 2325215889 XWCJHBSSTFKDBJ-UHFFFAOYSA-N 447.534 6.537 30 10 IKEE COc1ccc(C)cc1NC(=O)CCOc1cc(C)c2c(c1)OC(=Cc1ccc(C)o1)C2=O 2325471591 DOIIHJHGHXTPOY-UHFFFAOYSA-N 447.487 5.237 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(OCC)cc1 2325532413 JVVGFIOKNRPQOB-UHFFFAOYSA-N 428.989 5.847 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(O)cc4)ccc3C2=O)cc1 2325547073 HJCAYDUBFDUPJP-UHFFFAOYSA-N 443.499 5.323 30 10 IKEE CCCCC1CCC(C(=O)Oc2cccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)c2)CC1 2325722410 KOGGRTMFOAWORV-UHFFFAOYSA-N 435.520 6.393 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3cccc(C=CC(=O)c4cccc(Cl)c4)c3)c(C)c2c1 2325728885 WNXKGEQJCGJTIS-UHFFFAOYSA-N 429.903 6.553 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1N=Cc1cc(Cl)c(OC)c(OC)c1 2326272231 WSZCJQJXSCJWOK-UHFFFAOYSA-N 448.951 5.215 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1c(C)n(C)c2ccccc12 2326600977 HHOHNQWLDLEQQF-UHFFFAOYSA-N 431.609 5.822 30 10 IKEE CCOc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2ccco2)cc1 2326661034 CVFADDAFPIFFNZ-UHFFFAOYSA-N 434.521 5.023 30 10 IKEE CCCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1ccc(C(C)C)cc1 2327026528 VFXJWFNIBIXRKI-UHFFFAOYSA-N 436.625 6.106 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2328179710 LNCZOFBLNGWWOZ-UHFFFAOYSA-N 443.573 5.516 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)C[C@@H]2C[C@H]1CC2(F)F 2329112428 INPNRIQRCAYSLS-LXIYXOSZSA-N 427.289 5.518 30 10 IKEE COc1ccc(C=Nn2c(Cc3ccc(C)c(C)c3)nnc2SCc2ccccc2)cc1 2329423879 QRKSYOOMWIFLBW-UHFFFAOYSA-N 442.588 5.669 30 10 IKEE COc1cccc(C=Nn2c(CCc3cccs3)nnc2SCc2ccc(C)cc2)c1 2329625829 UGZNRZYTCDTBIS-UHFFFAOYSA-N 448.617 5.616 30 10 IKEE Cc1cccc(CSc2nnc(CCc3cccs3)n2N=Cc2cccc(O)c2)c1 2329644269 WYKRXNAHNVHUQS-UHFFFAOYSA-N 434.590 5.313 30 10 IKEE Cc1ccc(C=Nn2c(COc3ccccc3)nnc2SCCc2ccccc2)cc1 2329919431 GEIHNCQYQPVTPX-UHFFFAOYSA-N 428.561 5.383 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)cc2)n1N=Cc1cccc(OC)c1OCC 2329984845 IABUOODAXFOCER-UHFFFAOYSA-N 436.581 5.135 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 2330749864 TYCWACKPUVCYFX-UHFFFAOYSA-N 433.435 5.341 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(Br)c1OC(=O)C1CC1 2330940187 DVXUFVPHMKFYFE-UHFFFAOYSA-N 435.701 5.323 30 10 IKEE Cc1ccsc1C=Nn1c(SCc2c(F)cccc2Cl)nnc1[C@@H]1CCCO1 2331009180 TXNNQNDWDITAEV-INIZCTEOSA-N 436.965 5.467 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2Cl)c1 2331020559 YWZWEYCJKBVEHC-UHFFFAOYSA-N 449.890 5.909 30 10 IKEE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Oc1ccc(C=CC(=O)c2ccccc2)cc1 2331162029 LQBMKDVZUNKEEG-MRXNPFEDSA-N 441.310 6.262 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(C(F)(F)F)n1N=Cc1cccc(Cl)c1 2331163236 MLNRWRSMKHTWQI-UHFFFAOYSA-N 449.260 5.917 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)Cc1cccs1 2331216448 VKQDBILXZOZTBH-UHFFFAOYSA-N 436.529 5.426 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1N=Cc1sccc1C 2331333036 OMVTZODREIMAHP-UHFFFAOYSA-N 441.626 5.220 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H](C)Oc3ccc(Cl)cc3)cc2)cc1 2331489918 LAJRXVNYJVKUSM-IBGZPJMESA-N 448.946 6.732 30 10 IKEE CCSc1nnc(C2CCC2)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2331507934 VPTBOWXSSWVMOM-UHFFFAOYSA-N 426.973 5.772 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1ccccc1F 2331653663 RRSLXXDXERKQCT-UHFFFAOYSA-N 446.518 6.573 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1)c1cccc([N+](=O)[O-])c1 2331859714 RGAFDEXPPFXJBT-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE C[C@H](Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)c1cnn(Cc2ccccc2)c1 2339537790 XQFLLUPEIJITQV-KQDNUWKFSA-N 430.361 5.144 30 10 IKEE CCN[C@@H](C#C[C@@H]1CC1(C)C)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2339567637 PPXYPVWLJTUCNC-SXOMAYOGSA-N 439.599 6.545 30 10 IKEE CCN[C@@H](C#C[C@H]1CC1(F)F)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2341023629 YTEMSLKYKNBGTH-DQEYMECFSA-N 447.525 6.154 30 10 IKEE Cc1scc(CNc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)c1Br 2369679641 GUDPDDXGWLXEPP-UHFFFAOYSA-N 435.196 5.471 30 10 IKEE COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)cc1OC 21249515 ITWBWAOUNDDYKG-MYUZEXMDSA-N 444.506 5.822 30 10 IKEE O=C1N/C(=N\N=C\c2ccco2)S/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 33568008 JZZPOWMNBIETNF-BUGDWOBSSA-N 431.395 5.152 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3Br)cc2)cc1 34954840 MPMVOMJMEDRPPO-OVCLIPMQSA-N 437.289 5.573 30 10 IKEE C=CCc1ccccc1OCCn1c(CCNC(=O)c2cccc(C)c2)nc2ccccc21 35145062 UXWYHTYZGLSWSO-UHFFFAOYSA-N 439.559 5.125 30 10 IKEE C=CCCC(O)(CCC=C)c1ccc(CN(Cc2ccc(C)s2)C[C@H]2CCCO2)o1 36203566 AZNSZVCTZFAKBK-OAQYLSRUSA-N 429.626 5.951 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)c1 41292961 ZNQPZIKFARBJJZ-FYPXMSKISA-N 428.440 5.095 30 10 IKEE O=C1CCCC2=C1[C@H](/C=C/c1ccccc1)n1nc(SCc3ccccc3F)nc1N2 54643127 RYTAPMBKDZDEDP-AIGDTVQASA-N 432.524 5.397 30 10 IKEE C=CCOc1c(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cccc1OC 59676436 NXDJOEDLXRKHBL-WPWMEQJKSA-N 446.572 6.203 30 10 IKEE CCCCCCCCCCCC(CCCCCCCCCCC)NCc1ccccc1 79125016 SDIVGRTZBGCYQC-UHFFFAOYSA-N 429.777 9.987 30 10 IKEE CCCCCCCNC(=S)NC(=O)c1cc(Br)ccc1OCCC(C)C 100190108 SKDHGDRKOXEPAB-UHFFFAOYSA-N 443.451 5.449 30 10 IKEE O=C(/C(=C/c1ccc(Cl)cc1)c1nc2ccccc2o1)c1ccc(Br)cc1 102617162 NTODHMBJEKENAQ-AQTBWJFISA-N 438.708 6.667 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)/C(=C(\O)c4ccc(C)o4)[C@@H]3c3ccccc3)sc2c1 102725995 DRSYIQCDSLXEDX-AGGMBTAESA-N 444.512 5.386 30 10 IKEE CCCCCCCCCCC[C@@H](N)c1cc(Br)c(Br)s1 128162923 YWKPVYBJMCYOKW-CQSZACIVSA-N 425.274 7.194 30 10 IKEE C=CCn1c(C(=O)Nc2nc(-c3ccc(CC)cc3)cs2)c(C)c2cc(C(C)C)ccc21 169874192 DGACJMXZIJYJRR-UHFFFAOYSA-N 443.616 7.197 30 10 IKEE CCOc1cc(/C=N\Nc2nc3cc(C)ccc3[nH]2)ccc1OCc1ccccc1Cl 169893306 UXKATVZGWXDSMN-WGARJPEWSA-N 434.927 5.948 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2ccc(C)c(C)c2)c1 169932378 APFCWWJXMRSOBL-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(O)cc2)cc1 169959192 QAUONLJYKULUCA-DEOSSOPVSA-N 443.499 5.055 30 10 IKEE CC(C)Oc1ccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2C2CCCC2)cc1 169979472 IEXXOHHPXNAFDX-RUZDIDTESA-N 433.548 5.314 30 10 IKEE CC(C)Oc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCC2)c1 169981422 FLSQFKDBGRSPIN-QFIPXVFZSA-N 439.939 5.648 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@@H]2c2cccs2)c1 169986956 LYXDTCFRJXYJFC-OAQYLSRUSA-N 437.948 6.110 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2ccccn2)ccc1F 169994028 PVFIDNLYHDIXQP-OAQYLSRUSA-N 436.870 5.274 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1c[nH]c2ccccc12 170075565 TXRDBGQZLHJUQL-HSZRJFAPSA-N 442.902 5.913 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cc(C)c(OC)cc3C)=C(O)C(=O)N2c2ccccc2)cc1 170113698 QVXIZCKMMKSYFL-XMMPIXPASA-N 443.499 5.104 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2C2CCCC2)cc1 170117109 VRVZUITUPZZQLN-XMMPIXPASA-N 447.575 5.822 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@@H]1c1ccc(O)cc1 170136723 ABCOQPBPXKLNOF-QHCPKHFHSA-N 437.536 5.211 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2cccc(C)c2)c(C)c1 170140041 YUMOVYYYSNOSPT-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cccs1)c1cc2cc(Cl)ccc2o1 170166740 GGMLRESLPLJINM-IBGZPJMESA-N 427.909 5.669 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccc(OCC(C)C)cc1 170167173 MMFQQJXWGVLGEB-HSZRJFAPSA-N 432.520 5.191 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccccn2)cc1 170173979 XKLXLCOVGHFVHW-QFIPXVFZSA-N 448.906 5.307 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1cccnc1 170196149 BGIKJPNOQBCALN-QHCPKHFHSA-N 436.552 5.193 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccncc2)c1 170203637 DHOFVXKTUWLITD-JOCHJYFZSA-N 448.906 5.305 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@@H]1c1ccccc1F 170252777 LUWGSSREQGUZQM-NRFANRHFSA-N 425.500 5.120 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C2CCCCC2)cc1 170266607 RDFSDFMVYNDGDH-SANMLTNESA-N 439.555 6.313 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccc2C)cc1 170273149 VLSZFWQFHHXLJK-XMMPIXPASA-N 427.500 5.485 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(C4CCCCC4)[C@H]3c3ccc(C)o3)oc12 170308357 UHKKJVITWOBRPX-NRFANRHFSA-N 435.476 5.254 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)[C@H]1c1ccc(O)cc1)c1ccccc1 170341554 NXABXDLDVZQTBA-FQEVSTJZSA-N 439.389 5.194 30 10 IKEE CCOc1cc(C=NNc2ccc(Br)cc2)cc(Br)c1OC 252622666 NZYOMTIPYJXZGK-UHFFFAOYSA-N 428.124 5.065 30 10 IKEE CSc1nc(O)c(C(=O)N[C@H](c2ccc(F)c(C)c2)c2ccccc2Cl)cc1C#N 439995394 LHVIHQYBWGLIJW-LJQANCHMSA-N 441.915 5.001 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2ccc(Cl)c(Cl)c2)c1 526515599 KFGHZCYYRPZOOB-IBGZPJMESA-N 427.312 5.984 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(F)cc2)cc1 526515703 LELOWXNFSPVHBS-DEOSSOPVSA-N 428.463 5.543 30 10 IKEE Cc1ccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2cccc(C)c2)cc1 526809235 YAJZEBNIRMAJSJ-IMRQLAEWSA-N 426.589 5.855 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1c(C)[nH]c2ccccc12 526816740 IZMYJSKCRKMELN-QFEZKATASA-N 438.000 6.238 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccc(OC(C)C)cc1 526817289 ZXQFZEPQTVTWTJ-OYKKKHCWSA-N 428.989 5.846 30 10 IKEE C#CCN(c1cccc(Br)c1)S(=O)(=O)c1ccc(CCCCCC)cc1 586230414 HCHGEMHTFITDJJ-UHFFFAOYSA-N 434.399 5.400 30 10 IKEE CC(C)N(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(Br)cc(Br)c1 698378359 JRKPSMAMAMTAAF-CQSZACIVSA-N 432.156 5.422 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@](C)(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 698437756 LXLIHAMNCRJSRU-CJFMBICVSA-N 443.588 5.496 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)CC1 704046530 ZCWORXRWYUNJHO-HSZRJFAPSA-N 433.524 5.251 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@H](C#N)c1ccsc1Br 706977999 DFZZUSAFJGVRFM-CQSZACIVSA-N 427.751 6.170 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@]1(C#N)CCc2cc(Br)ccc2C1 710716729 FDDYUXVISAWNOC-HSZRJFAPSA-N 441.369 5.637 30 10 IKEE Cc1ccc(C=Nc2nc(-c3ccc(C)cc3C)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 1084388550 SXXVMDAPJFFNAS-UHFFFAOYSA-N 427.529 7.061 30 10 IKEE O=C(Nc1ccc(Cl)cc1)C(=Nc1ccc(Cl)cc1)NNc1ccc(Cl)cc1 1088690168 GFRSTQRQKSPNPY-UHFFFAOYSA-N 433.726 5.932 30 10 IKEE CCN1C(=O)/C(=C(\C)c2cccc(OC)c2)SC1=Nc1nc(-c2ccccc2)cs1 1772738930 RRSSBKOYNRTPMJ-LJVHWXJXSA-N 435.574 5.833 30 10 IKEE COc1ccc(-c2nn(-c3ccc(F)cc3)cc2/C=N\NC(=S)Nc2ccccc2)cc1 1857809584 ZFKBVUXKGLTDMV-YSMPRRRNSA-N 445.523 5.008 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2cccc(F)c2)cc1 1862390346 BHHHMUDIUHOQKK-DVKBMCPXSA-N 449.566 6.325 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2F)cc1 1862390729 KUYQOKAWPLJCJB-XMMPIXPASA-N 444.506 5.342 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccccc2F)cc1 1862391019 QTCNABOWQIAZFO-VWLOTQADSA-N 449.566 6.469 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc(O)c1 1862431106 ZQQRYUDYDXYWDB-XWRIVVANSA-N 425.912 5.203 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccc(O)c(O)c1)c1ccccc1Cl 1862431399 GKGGWNPURACDGB-OAQYLSRUSA-N 441.911 5.052 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(O)cc1 1862442458 JHOOKQFZZFVCAC-KNQAVFIVSA-N 441.955 5.983 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2c(F)cccc2Cl)cc1 1862481144 XWWSWPIMSRIVGR-FQEVSTJZSA-N 425.843 5.159 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC(C)C)cc1 1862483884 GAKUXUSOMVTXPX-DEOSSOPVSA-N 435.564 5.798 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccc(C)c1 1862489414 BGBMRXYFXJAIIG-DEOSSOPVSA-N 435.564 5.397 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccc(F)cc2)cc1 1862490398 USYBISJAZIWJDT-DEOSSOPVSA-N 429.491 5.529 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2ccc(O)cc2)c1 1862490425 VMIHRNKNVIXTML-VWLOTQADSA-N 441.527 5.220 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2C)cc1 1862516026 XTJLZLOGXQWJLS-RUZDIDTESA-N 441.527 5.562 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(OC)cc1 1862591739 MTUIFSQEXMUAJT-QHCPKHFHSA-N 437.536 5.340 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 1862622679 MLUJZOQZJUQADS-HXUWFJFHSA-N 446.374 6.279 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2cccc(C)c2)cc1F 1862638656 GYBJNGMPEGKYMR-LQNXUBFPSA-N 437.511 5.300 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(C(C)C)cc2)cc1F 1862641253 YPGJUMFXEINYEG-QHCPKHFHSA-N 437.511 5.479 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2F)cc1 1862663348 SGBALFGZYJPRGO-HSZRJFAPSA-N 430.479 5.123 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2ccc(C)cc2)c1 1862698540 JPOLKAJUZSETKO-VWLOTQADSA-N 441.527 5.399 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2ccccc2F)c1 1862702629 ICHICZFELLCHQW-XMMPIXPASA-N 445.490 5.045 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cccc(Cl)c1)c1ccc2ccccc2c1 1862712738 YLFUKTAHNJLRLM-HSZRJFAPSA-N 431.919 6.014 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccc(C(C)C)c(C)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1863029398 MRZPWKKWCOVYTB-UHFFFAOYSA-N 449.554 6.004 30 10 IKEE CCCCCCCCNC1=C(c2ccc(Cl)c(Cl)c2)C(=O)N(CCCOC)C1=O 1863628716 GFSOMXKFNMLVSR-UHFFFAOYSA-N 441.399 5.060 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCC(C)C)=C(c2ccc(OC(C)C)cc2)C1=O 1863695563 PBMDHCFDKOQDFB-UHFFFAOYSA-N 442.644 5.940 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1cccc2c(O)cccc12 1866029939 QCDULTLOVRWAAH-UHFFFAOYSA-N 425.657 8.745 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)[C@H]2CCCN2c2ccc(Cl)cc2)c1 1866142446 RZKQHFGRSWZGIG-XMMPIXPASA-N 443.934 5.359 30 10 IKEE N#Cc1ccccc1NC(=O)[C@H](NC(=O)[C@H](c1ccc(Cl)cc1)C1CC1)c1ccccc1 1867002937 YPGOEDJCFSSULN-BJKOFHAPSA-N 443.934 5.201 30 10 IKEE CCCCCn1cc(OCC=C(C)C)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870166333 OPUZORQQMMDXDX-UHFFFAOYSA-N 439.625 5.868 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2C)c(CSc2nccn2C)cc1=O 1870251589 MAYJLEVIJBKTSW-UHFFFAOYSA-N 439.625 5.580 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(Cl)cc2)c(=O)cc1CSCCO 1870261485 NYDJMEYYUAASRA-UHFFFAOYSA-N 438.033 5.667 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2F)c(CN2CCC[C@@H](C)C2)cc1=O 1870414332 LZTMNENKMXTXJN-OAQYLSRUSA-N 428.592 5.617 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(Cl)cc2)cn1CCCOC(C)C 1870439963 YWKUIROYCFEQAA-UHFFFAOYSA-N 445.003 5.070 30 10 IKEE CCCCCCCCCCn1cc(OCc2cccc(F)c2)c(=O)cc1CN(C)CCO 1870616969 QPSGDTLGDZRMGI-UHFFFAOYSA-N 446.607 5.131 30 10 IKEE C=CCn1cc(OCc2ccc(C(C)C)cc2)c(=O)cc1CNc1ccc(CCCC)cc1 1870896978 BAPAEUTWSDQGMY-UHFFFAOYSA-N 444.619 6.691 30 10 IKEE C#CCOc1cn(CCc2c[nH]c3ccccc23)c(CNc2cc(Cl)ccc2C)cc1=O 1871006457 HMMXKIPNSLMNHD-UHFFFAOYSA-N 445.950 5.158 30 10 IKEE C#CCOc1cn(Cc2ccc(Cl)cc2)c(CNc2ccc(Cl)c(Cl)c2)cc1=O 1871010406 LGXZDWCRQHWNRF-UHFFFAOYSA-N 447.749 5.481 30 10 IKEE CCCCCCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccccc1Cl)C3=O 1871348382 BYRSVERJQGXEHI-HAHDFKILSA-N 425.956 6.469 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc4c3CN([C@@H](C)C35CC6CC(CC(C6)C3)C5)CO4)C2=O)o1 1871349912 ANXMNZZWDIHMHS-IOWOVGPYSA-N 445.559 5.961 30 10 IKEE Cc1c(OC(=O)CCCOc2ccccc2)ccc2c1O/C(=C\c1ccc(Cl)cc1)C2=O 1871371244 MADCGTKGHANGSD-KQWNVCNZSA-N 448.902 6.029 30 10 IKEE Cc1cc(OC(=O)Cc2ccc(F)cc2)cc2c1C(=O)/C(=C/c1cn(C)c3ccccc13)O2 1871371861 MTTKEMCKJZZUNT-CFRMEGHHSA-N 441.458 5.390 30 10 IKEE CCOc1ccc(CC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 1871375515 PMAFYHJTSADWBH-UCQKPKSFSA-N 432.447 5.297 30 10 IKEE CCCCCOC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 1871427185 RTSZAHRIRRTDHF-KQWNVCNZSA-N 436.548 6.021 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(Cl)cc2F)ccc2c1O/C(=C\c1ccco1)C2=O 1871440304 IMVDMBXDBPUYLY-GRSHGNNSSA-N 427.815 5.014 30 10 IKEE C=CCN=c1nc(Nc2ccc(OCCCCCC)cc2)[nH]c(N(CCC)CCCC)n1 1871610911 YBVICHBXXANUEE-UHFFFAOYSA-N 440.636 5.611 30 10 IKEE CCc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3C(=O)c3ccccc3)n2)cc1 1872761362 LTVCLVDPLYEKOW-QHCPKHFHSA-N 436.536 6.094 30 10 IKEE COc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1 1872784762 XBTFRUCOKPBBBZ-AHKGRUIUSA-N 438.936 5.679 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCC)=C(c2ccc(-n3cccc3)cc2)C1=O 1873034733 LZELUJGPJINFSY-UHFFFAOYSA-N 435.612 5.698 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Cl)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422735 MJTPAJQWCIIJEX-UHFFFAOYSA-N 431.923 5.126 30 10 IKEE CCOc1ccc(/C=N/n2c(CCCOc3ccc(Cl)cc3)nnc2SCC)cc1 1874213098 VJVCWTVYOMVALV-LFVJCYFKSA-N 444.988 5.336 30 10 IKEE Cc1ccc(OCCCc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2)cc1 1874252490 OZYZKTRWIQAEPZ-ZXVVBBHZSA-N 442.588 5.773 30 10 IKEE CCCSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccc(C(C)(C)C)cc1 1874269156 MUICKWFMQOVSSB-MFKUBSTISA-N 443.016 6.192 30 10 IKEE Clc1ccc(CCc2nnc(SCc3ccccc3)n2/N=C/c2cccs2)cc1 1874283530 MLQITVNUVJWFGO-BUVRLJJBSA-N 439.009 5.953 30 10 IKEE COc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2/N=C/c2ccncc2)cc1 1874351109 UULMCZDQPNEWCH-CVKSISIWSA-N 449.967 5.100 30 10 IKEE CCSc1nnc(Cc2cccs2)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874412867 PSAAIHICUFYKKH-LFVJCYFKSA-N 448.573 5.144 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2ccc(C(C)C)cc2)cc1 1874415629 ZTTDUGZKSXYVBH-MTDXEUNCSA-N 440.616 6.475 30 10 IKEE Cn1cc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccccc2F)c2ccccc21 1874438755 QZNOGPVPYQZJAO-VULFUBBASA-N 435.572 5.672 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@H]3CCCO3)n2/N=C/c2cccc(Cl)c2)c1 1874445922 OJJMUWJZHUFIJT-FINLKQIMSA-N 426.973 5.574 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1/N=C/c1ccc(CC)cc1 1874478207 ULCZIPWSFVCXLX-PCLIKHOPSA-N 435.597 5.105 30 10 IKEE C=C(C)CSc1nnc(C(C)(C)C)n1/N=C/c1ccc(OCc2ccc(C)cc2)cc1 1874481747 LVVDIZYVGDFKPP-CVKSISIWSA-N 434.609 6.013 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CC)nnc2SCc2cccc(C)c2)cc1OC 1874524425 NGBAJSLDEFYZJH-PCLIKHOPSA-N 438.597 5.511 30 10 IKEE COc1cccc(/C=C/C(=O)c2cccc(Br)c2)c1OCc1ccc(F)cc1 1874575234 BZWCSAWUZYTMPJ-JLHYYAGUSA-N 441.296 6.072 30 10 IKEE O=C(/C=C/c1ccccc1OCc1ccccc1Cl)c1cccc(Br)c1 1874575922 NOXFCQQMZFWKAF-OUKQBFOZSA-N 427.725 6.578 30 10 IKEE CCCOC(=O)COc1ccc(Br)cc1/C=C/C(=O)c1ccc(F)c(C)c1 1874580499 QPKPQYWYOXUTSN-VMPITWQZSA-N 435.289 5.125 30 10 IKEE Cc1cc(C(=O)/C=C/c2cc(Br)ccc2OCc2ccccc2C)ccc1F 1874580615 XCHRNDFQWHKMRI-DHZHZOJOSA-N 439.324 6.680 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(F)c(C)c2)o1 1874581633 YLUXFOAHJIBYCV-WEVVVXLNSA-N 442.870 6.032 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3c(C)cccc3C)c2)cc1 1874595842 GRYZHCUSRQZACZ-LFIBNONCSA-N 443.543 6.006 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccc(C)cc3C)c2)cc1Cl 1874600008 OFDRYSCYGDBWOX-DHZHZOJOSA-N 449.934 5.879 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1C 1874601919 KHNRQUWLPADFDB-ZHACJKMWSA-N 437.879 6.040 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(OC)c1OCc1cc(C)ccc1C 1874614192 JYNLUNMGOLJBOT-NTEUORMPSA-N 446.974 7.169 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3C)cc2)c(C)c1C 1874627937 DGBLWXNZVLTAKZ-RVDMUPIBSA-N 429.516 5.534 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccccc3C)c2)cc1 1874701977 OTVVEWROPJKLSD-OQLLNIDSSA-N 430.500 5.908 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OC(=O)Cc3ccccc3Cl)c2)c1 1874706766 YGAINTQFDLRZOA-ZRDIBKRKSA-N 436.891 5.401 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1cc(C)cc(C)c1 1875094263 JWIBGOGIBWHECS-CSKARUKUSA-N 445.471 5.726 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3c(C)cccc3C)cc2)cc1 1875103658 JLCCUOUDUBITLJ-XMHGGMMESA-N 442.555 6.527 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2cccc(OC)c2)cc1OC 1875104324 RCEWBXYIHUZSJJ-WYMLVPIESA-N 446.499 5.147 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Br)cc2)cc(OC)c1OC(=O)C1CC1 1875110864 GQPDYRLOPSSEOF-LFYBBSHMSA-N 441.321 5.398 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC(=O)c1cccs1 1875117115 JEAARCBWKQOJKL-RUDMXATFSA-N 443.864 5.434 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)C(F)(F)F)c(OC)c2)cc1 1875128999 GGLLJNVTSXEMNR-RUDMXATFSA-N 428.790 5.111 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2OC)cc1 1875129200 OZVKUNUSEOLCMO-GHRIWEEISA-N 444.527 5.918 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)Cc1ccccc1F 1875158680 IFWPAJSWESNTDE-NTEUORMPSA-N 448.465 5.746 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OC(=O)CCOC 1875160306 JMMAEOGGHAFPOQ-DHZHZOJOSA-N 440.536 5.229 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)c1ccccn1 1875166219 BGZBEVGWKYUJPU-FMIVXFBMSA-N 431.488 5.221 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2cncc(C)c2)cc1 1875168104 RZPSANYBACPHRQ-VMPITWQZSA-N 442.298 5.821 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc(OC)c1OC(=O)C(C)(C)C 1875190015 FXCPPGGXMRUZKL-ACCUITESSA-N 448.515 5.713 30 10 IKEE CC1(C)OB(c2cccc(NC(=O)OCC3c4ccccc4-c4ccccc43)c2)OC1(C)C 1880017884 KADUAYYITHGIMG-UHFFFAOYSA-N 441.336 5.347 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CCC2 1948905060 KOGIYKOZWKCJPX-UMFSSWHCSA-N 428.617 5.307 30 10 IKEE CCCCCCCCCC[C@H](NCC)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2034425264 XRKYYBDOVJYODY-LOSJGSFVSA-N 448.692 6.605 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@](C#N)(N(C(=O)OC(C)(C)C)c3ccc(F)cc3)C[C@H]2C1 2040979067 WRBRQUTXXSOZPX-XHNJZIHCSA-N 445.535 5.106 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2046018674 KDRFGMIUHBBLLS-ANXRINLSSA-N 445.535 5.153 30 10 IKEE C=C(CC)C[C@H](NCCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071266061 AFADSMLJPGGPKD-MHZLTWQESA-N 429.604 7.242 30 10 IKEE Cc1ccc([C@@H](C(C)C)n2nc(C(C)(C)C)c(C#N)c2I)cc1F 2078977754 NYAHSZBOLHBYCX-MRXNPFEDSA-N 439.316 5.350 30 10 IKEE Cc1ccc([C@H](C2CCC2)n2nc(C3CCC3)c(/C=N/O)c2I)cc1 2079013286 IIQNJECRSVEFGX-OZNZCJATSA-N 449.336 5.261 30 10 IKEE CCc1ccc([C@@H](C2CC2)n2nc(C(C)(C)C)c(C#N)c2I)cc1 2079115240 DSVGHALKIVVHAD-KRWDZBQOSA-N 433.337 5.219 30 10 IKEE CC(C)(C)c1nn([C@H](c2ccc(C(F)(F)F)c(F)c2)C(C)(C)C)c(Cl)c1C=NO 2080052711 CQIIIJVJIAQDEO-MRXNPFEDSA-N 433.877 6.436 30 10 IKEE CC(C)(C)c1nn([C@H](c2ccc(C(F)(F)F)c(F)c2)C2CCC2)c(Cl)c1C=NO 2080054146 YWDBVTIOFIXPFR-INIZCTEOSA-N 431.861 6.190 30 10 IKEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Cl)cc(Br)c1 2081563236 TXVDWLBWVXAQFW-SJORKVTESA-N 429.786 5.060 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)C1(NC(=O)OC(C)(C)C)CCC2(CC2)CC1 2082402700 YHBWBFRXSAASHN-HSZRJFAPSA-N 442.644 5.745 30 10 IKEE C=CCCCCCC[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2085849169 IIVHBLGQIQVXBM-MHZLTWQESA-N 430.588 7.405 30 10 IKEE Cc1ccc(Nc2cc(Br)cc(F)c2C#N)cc1I 2107447305 LONFZIJVOOITQG-UHFFFAOYSA-N 431.046 5.117 30 10 IKEE C=CCCCCCC[C@@H](NC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2141917937 AAGKOZJMYOVBGT-GOSISDBHSA-N 425.411 6.583 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(C)c(Br)c(C)c1 2227355534 NCXLMDYHVZOLGH-MJGOQNOKSA-N 425.411 5.576 30 10 IKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(C(F)(F)F)ccc1Br 2228071602 CUPZVQRQNHNRQA-ABAIWWIYSA-N 435.284 6.068 30 10 IKEE C=CCC[C@H](C)[C@@H](NC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229139389 ZIAOYJXVLJDOAK-KFKAGJAMSA-N 425.411 5.075 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Cl)c(Cl)c(Cl)c1 2232514554 VCCXTMINLQMDOW-FUHWJXTLSA-N 435.823 6.547 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Cl)cc(Cl)c1Cl 2235594288 MDVZCWVOJWSSIT-AEFFLSMTSA-N 433.807 5.994 30 10 IKEE CC(C)(C)OC(=O)NC1(C(=O)C#Cc2ccccc2Br)CC(C(C)(C)C)C1 2235722734 SNCCHAQEAKWKFZ-UHFFFAOYSA-N 434.374 5.089 30 10 IKEE CCCC[C@H](NC(=O)OC(C)(C)C)[C@H](C#Cc1ccccc1Br)NCCC 2235730234 OALVNNXBEOFJCX-PMACEKPBSA-N 437.422 5.252 30 10 IKEE CCC[C@@]1([C@@H](O)C#Cc2ccccc2Br)CCCCN1C(=O)OC(C)(C)C 2235736223 WYRUNRYNSIFXJD-UGKGYDQZSA-N 436.390 5.121 30 10 IKEE CC#CCCCC[C@H](NC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237412354 OELAIMWMWVBEFJ-VQTJNVASSA-N 437.422 5.057 30 10 IKEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1sc(Br)c(C)c1C 2254674386 UFBXQBCVRSVDGD-CABCVRRESA-N 429.424 5.085 30 10 IKEE C=CCCC1([C@H](NC)c2sc(C)c(C)c2Br)CN(C(=O)OC(C)(C)C)C1 2266319600 FBFAKJJBCWTTPV-QGZVFWFLSA-N 443.451 5.591 30 10 IKEE CC1(C)OB(c2ccoc2CNc2cc(Cl)c(Br)cc2Cl)OC1(C)C 2278054400 NFWWQIKLVDBCKW-UHFFFAOYSA-N 446.965 5.260 30 10 IKEE Cc1ccc(C(=O)N(Cc2ccccc2)CC2CCCCC2)c(B2OC(C)(C)C(C)(C)O2)c1 2282687453 GNJUFJPHIZRVFY-UHFFFAOYSA-N 447.428 5.517 30 10 IKEE CN(CC[C@@H](Nc1ccc(C#N)c(Br)c1F)C(C)(C)C)C(=O)OC(C)(C)C 2296004489 YHEBCZRDBHMSAN-OAHLLOKOSA-N 442.373 5.543 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)c1ccccc1NC(=O)OC(C)(C)C 2296294480 UWTVHNKNASMGRN-IBGZPJMESA-N 429.358 5.498 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2c(Cl)cccc2Cl)C3=O)cc1 2296867362 KIGURNGXGWPURC-UHFFFAOYSA-N 425.267 6.137 30 10 IKEE Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccccc3)[C@H]2c2ccc(N(C)C)cc2)cc1Cl 2297745668 VOMFAYTUGPHXMZ-HSZRJFAPSA-N 446.934 5.341 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1C[C@@H]2CC[C@H]1CN(C(=O)OC(C)(C)C)C2 2312353077 WECCNIGSQRRFOR-CXSMSNRLSA-N 442.644 5.411 30 10 IKEE Cc1ccccc1N=C1NC(=O)C(=Cc2cccn2-c2ccc(Br)cc2)S1 2313543576 OHNQMTBWUYFCQP-UHFFFAOYSA-N 438.350 5.440 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)N(c3ccccc3)c3ccccc3)cc2)cc1 2314430162 XQIPDDQXVYRKRP-UHFFFAOYSA-N 433.507 7.228 30 10 IKEE CCCCOc1ccc(C=C2SC(=Nc3ccc(O)cc3)N(CC)C2=O)cc1OC 2314927253 CAHFJWSGBWJQIH-UHFFFAOYSA-N 426.538 5.204 30 10 IKEE Cc1ccccc1CCc1nnc(S)n1N=Cc1ccc(OCc2ccc(F)cc2)cc1 2321993853 YPWUDJPXDDQPPT-UHFFFAOYSA-N 446.551 5.261 30 10 IKEE Cc1ccc(C(=O)C=Cc2c(OCC(=O)Nc3ccccc3F)ccc3ccccc23)cc1 2322591627 UKUIDBBOBDMEEC-UHFFFAOYSA-N 439.486 6.201 30 10 IKEE Cc1cc(OC(=O)c2ccc3c(c2)OCO3)cc2c1C(=O)C(=Cc1ccc(Cl)cc1)O2 2322775424 VVQNEEHEZHJCFO-UHFFFAOYSA-N 434.831 5.213 30 10 IKEE Cc1cccc(COc2ccc(Cl)cc2C=CC(=O)c2cc(C(C)(C)C)ccc2C)c1 2322959254 YAGWWQZOLGHVOT-UHFFFAOYSA-N 432.991 7.729 30 10 IKEE CCCCN(CCO)Cc1c(O)ccc2c1OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2324178720 DHNHDKYWFDJOLQ-UHFFFAOYSA-N 443.543 5.270 30 10 IKEE Cc1cc(OCCCOc2ccccc2)cc2c1C(=O)C(=Cc1cn(C)c3ccccc13)O2 2324234776 PPIUPPNLFCDXRF-UHFFFAOYSA-N 439.511 5.951 30 10 IKEE CCCNC(=O)COc1ccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1OC 2324290184 FHYHOFDPQBXZJE-UHFFFAOYSA-N 445.515 5.289 30 10 IKEE CCCCOC(=O)COc1ccc2c(c1C)OC(=Cc1ccc(Br)cc1)C2=O 2324297855 BGEIFRSGURRZGT-UHFFFAOYSA-N 445.309 5.096 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccc(C)c(Cl)c4)ccc3C2=O)cc1 2324352153 NSBDVHZEVIKXKZ-QGZVFWFLSA-N 447.918 5.979 30 10 IKEE C=CCOc1c(OCC)cc(C=CC(=O)c2cc(OC)c(Cl)cc2OC)cc1[N+](=O)[O-] 2324412609 AEYFUZDMAKDFDW-UHFFFAOYSA-N 447.871 5.125 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2cccs2)C3=O)c1 2324455912 SRLGATWWQQKBFU-QGZVFWFLSA-N 433.529 5.696 30 10 IKEE CCc1ccc(OCCCOc2ccc3c(c2C)OC(=Cc2ccccc2OC)C3=O)cc1 2324662063 ACQLTLOOHKWGBU-UHFFFAOYSA-N 444.527 6.030 30 10 IKEE C=CCOc1ccccc1C=Nn1c(Cc2cccc3ccccc23)nnc1SCCC 2325424557 ANBDFGIHMHPDPV-UHFFFAOYSA-N 442.588 5.971 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccc(Br)cc1 2325512797 VQZOTTOWRIIYNK-UHFFFAOYSA-N 443.414 5.866 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccc(C(C)(C)C)cc4)c3C)C2=O)o1 2325553948 VNWMMSIHNNYKCE-UHFFFAOYSA-N 445.515 5.828 30 10 IKEE O=C(C=Cc1ccc(F)c(F)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1 2325580661 ULXBURXYEAMMAH-UHFFFAOYSA-N 427.834 5.418 30 10 IKEE COc1cc(C=CC(=O)C(=O)Nc2ccc(C(C)C)cc2)ccc1OCc1ccccc1 2325649766 YBYNGDGVCAMMMG-UHFFFAOYSA-N 429.516 5.619 30 10 IKEE CCCCCOc1ccc(C=Nn2cnnc2SCc2ccccc2F)cc1OCC 2325652902 KPPYVVUDIQXNSL-UHFFFAOYSA-N 442.560 5.559 30 10 IKEE Cc1cccc(COc2cc(C)c3c(c2)OC(=Cc2ccc(Cl)cc2Cl)C3=O)c1 2325721158 XTNVRADTQNIRKB-UHFFFAOYSA-N 425.311 6.805 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc1OC(=O)c1ccccc1 2325752234 QGHYNXVZHZLPGC-UHFFFAOYSA-N 444.527 6.117 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc1OC(=O)c1cccs1 2325763191 VNBTZDJRRLFDLQ-UHFFFAOYSA-N 442.920 5.842 30 10 IKEE CCc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c4ccccc34)c2)cc1 2325778089 PLPJBHHYWFSACG-UHFFFAOYSA-N 436.507 6.526 30 10 IKEE CCSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1cccc(OC)c1 2325883169 SSHUPHCGLDEDMA-UHFFFAOYSA-N 446.576 5.446 30 10 IKEE CCOc1cc(C=Nn2c(CC)nnc2SCc2cccc(Cl)c2)ccc1OC 2326467916 PHQJAMAXGDTIGS-UHFFFAOYSA-N 430.961 5.076 30 10 IKEE COc1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCc2ccc(C)cc2)cc1 2329793919 ZEKBXWONSJTYMA-UHFFFAOYSA-N 446.551 5.500 30 10 IKEE COc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCCc2ccccc2)cc1 2330197086 ILDGISHVSUINSC-UHFFFAOYSA-N 442.588 5.289 30 10 IKEE Cc1cc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)CCCC4)cc2)ccc1[N+](=O)[O-] 2330678551 LMSCMKJZPIVIBG-UHFFFAOYSA-N 441.483 5.897 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(CC)cc3)cc2)cc1 2330738741 RWKNKUJOPZLQET-UHFFFAOYSA-N 428.528 6.082 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3C)c(Cl)c2)cc1 2330747625 TXSOCZKITKWOKM-UHFFFAOYSA-N 432.947 6.645 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(OC)c3)c(OC)c2)cc1 2330846578 OFRRMEBIABUSPL-UHFFFAOYSA-N 444.527 6.162 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Cl)c(OC(=O)c2cccc(F)c2)c(OC)c1 2331049681 FLRMOTSKIBDNAY-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)COc2ccc(Cl)c(C)c2)cc1 2331051406 KZHHBJUCQFNGGA-UHFFFAOYSA-N 436.891 5.538 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1)c1ccc2cc(Cl)ccc2n1 2331084356 GNSMKZDHQOCPTR-UHFFFAOYSA-N 449.840 6.282 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)cc3)c(Cl)c2)c(C)c1 2331222393 PSGZWSARJCFWNX-UHFFFAOYSA-N 425.311 6.726 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC(=O)Cc1ccc(F)cc1 2331366520 ZZSJTNLVVVVNDF-UHFFFAOYSA-N 448.490 5.586 30 10 IKEE Cc1ccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C(C)(C)C)cc1 2331411899 ODALBEFERVIKDC-UHFFFAOYSA-N 433.408 6.365 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)cc1F 2331451212 BREKKFOPRWDAHZ-UHFFFAOYSA-N 448.534 6.242 30 10 IKEE COc1ccc(C=Nn2c(CC(C)C)nnc2SCc2cccc(Cl)c2)cc1OC 2331469943 OZDICUAHZSXQDS-UHFFFAOYSA-N 444.988 5.322 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2OC)c1 2331509981 ZBWGQKOIJLBSRD-UHFFFAOYSA-N 430.500 5.943 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@H]2C[C@H]2c2ccccc2Cl)cc1)c1ccc(F)c(F)c1 2331555263 WZRBEMRTTMKTOH-PMACEKPBSA-N 438.857 6.223 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)Cc1ccccc1F 2331657417 FGWJOOMFCATXGP-UHFFFAOYSA-N 446.518 6.112 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1N=Cc1ccccc1Cl 2331666040 ZDENODHZFXLXQS-UHFFFAOYSA-N 441.988 5.114 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CC(C)C)c(OCC)c2)c(OCC)c1 2331737775 GXBZRRPRIMUCGJ-UHFFFAOYSA-N 440.536 5.730 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)COc3c(C)cccc3C)cc2)c(C)c1 2331764170 HXOPNBICEZACHN-UHFFFAOYSA-N 428.528 6.109 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cc(OC)c(OC(=O)CC(C)(C)C)c(OC)c2)cc1C 2331836611 YLIUOIDZESZWMV-UHFFFAOYSA-N 440.536 5.567 30 10 IKEE COc1cc([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)c(Br)cn1 2362113205 RGOCCNPYVKBFCY-KRWDZBQOSA-N 438.366 5.377 30 10 IKEE C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2)nnc1-c1ccc(Cl)cc1Cl 9594846 XSIGLLPQUUCCBG-AWEZNQCLSA-N 447.391 5.866 30 10 IKEE Oc1ccc(/C=N/c2ccc3cc4ccc(/N=C/c5ccc(O)cc5O)cc4nc3c2)c(O)c1 12576348 BEZOTXYAOPLDOB-RABJZLPGSA-N 449.466 5.712 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2O)cc1 21220730 XQARIYLCGPVYMY-HMILPKGGSA-N 440.543 6.161 30 10 IKEE CC(C)COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(C(C)C)cc2)cc1 21223188 BLNFPKSVWBIGNL-UPVQGACJSA-N 431.576 5.849 30 10 IKEE COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)c(OC)c1 21252845 QGDBDPFHIKYGGX-WHLCRQNOSA-N 440.543 5.992 30 10 IKEE CC[C@@H](Sc1nc(-c2ccccc2)cc(-c2cccc(OC)c2OC)c1C#N)C(=O)O 22868808 VEBLRUKMYSYNRI-OAQYLSRUSA-N 434.517 5.260 30 10 IKEE C=CCn1c(SCc2ccccc2)nnc1-c1cc(-c2ccccc2)nc2ccccc12 25160277 BFLDHPKVGCJSBF-UHFFFAOYSA-N 434.568 6.639 30 10 IKEE CN1C/C(=C/c2ccc(Br)cc2)C(=O)/C(=C\c2ccc(Br)cc2)C1 33305343 CSEWJOXSVCTUKZ-APGQMXJTSA-N 447.170 5.193 30 10 IKEE COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccccc2F)cc1OC 33324900 BRUBXGKOVGUKFP-IQMFZBJNSA-N 434.467 5.098 30 10 IKEE CCOc1ccc2oc(C)c(C(=O)Oc3ccc(C(=O)/C=C\c4ccc(C)cc4)cc3)c2c1 34954960 QSURDJDUPASDEO-DHDCSXOGSA-N 440.495 6.564 30 10 IKEE COc1ccc(/C=C\C(=O)c2c(-c3ccccc3)c3cc([N+](=O)[O-])ccc3[nH]c2=O)cc1 35332646 CAMUSEPURBNFJG-ZROIWOOFSA-N 426.428 5.008 30 10 IKEE C=C(C)n1c(=O)n(CC(=O)N(Cc2ccccc2)C2CCCCC2)c2cc(C)c(C)cc21 40311322 WQZIKRHUHVXOSG-UHFFFAOYSA-N 431.580 5.272 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCc4ccc([N+](=O)[O-])cc4)cc(C)c3C2=O)cc1 41501622 WHNKXEJGGITWOT-QRVIBDJDSA-N 431.444 5.497 30 10 IKEE COc1ccc(/C=C/C(O)=N/C(=N/C(=O)c2ccccc2)Nc2nc3ccccc3o2)cc1 58870932 BMOAMGLOTLISHL-DTQAZKPQSA-N 440.459 5.115 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccccc4C)c3C)C2=O)cc1 62883565 ZUKNEYUQXLHIQC-UQQQWYQISA-N 441.527 5.985 30 10 IKEE C=CCn1c(SCc2cccc(C(=O)Nc3ccc(F)cc3)c2)nnc1-c1ccco1 96288207 UVITWGXWYUEMLB-UHFFFAOYSA-N 434.496 5.408 30 10 IKEE CCCCCCCOc1cccc(NCC(=O)Nc2cccc(CCC(=O)N(C)C)c2)c1 100090501 WJKKQIWGWGPGPI-UHFFFAOYSA-N 439.600 5.107 30 10 IKEE CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)S/C1=N/c1cccc(C(=O)O)c1 100939251 MVVWDQZODDBYQE-QLIPUSLZSA-N 438.892 5.532 30 10 IKEE Cc1cc(N2C(=O)C(=O)/C(=C(\O)c3cc4ccccc4o3)[C@@H]2c2cccc(Cl)c2)no1 102731104 JEOOHVQHZYKLPK-LCPUNJGISA-N 434.835 5.009 30 10 IKEE Cc1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl 103091939 UWMZZDQZVQILKT-AGGMBTAESA-N 448.862 5.183 30 10 IKEE CCCCCCCCN(CCCCCCCC)C(=O)COc1ccc(C(C)(C)C)cc1 104777860 SNCSXWUSWTYDHZ-UHFFFAOYSA-N 431.705 7.913 30 10 IKEE C=C(C/C=C(\C)CCC=C(C)C)/C(C[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C)=N/O 138894833 KUNNXNOAUCFJRF-BBYONMSSSA-N 440.584 5.812 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2cccc(C)c2C)c1 169934316 KDZCCIAWVZTREB-OAQYLSRUSA-N 448.544 5.168 30 10 IKEE CCOc1cc([C@@H]2NC(=S)N(C)C(C)=C2C(C)=O)ccc1OCc1cc(C)ccc1C 169936958 NDJYENNVMXIAAS-DEOSSOPVSA-N 438.593 5.005 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccc(N(C)C)cc2)c1 169953125 IYNHLFWXPCRRGK-SANMLTNESA-N 440.543 5.163 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccc(O)cc2)cc1 169959365 KNNULKVNWLPVAR-QHCPKHFHSA-N 431.463 5.185 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2ccc(Cl)cc2)c1 169969610 SUOOZWHKOFTCJQ-QHCPKHFHSA-N 442.902 5.913 30 10 IKEE CC(C)Oc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2)cc1 169977456 MSRPOYXYADBJPA-HSZRJFAPSA-N 431.463 5.396 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccn2)cc1 169992280 REJNWBFBCDPULV-QFIPXVFZSA-N 446.934 5.815 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccc2ccccc12)c1c[nH]c2ccccc12 170045298 MHYNQVAZFZDMHB-VWLOTQADSA-N 448.478 5.693 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccccc2C)cc1 170088671 MLXDVDDJRVYZAC-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)o1 170101727 ZWEOJGWLJCXNRW-QFIPXVFZSA-N 435.907 5.950 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(OC(C)C)cc1 170151967 GTHOLAITRKKETE-QHCPKHFHSA-N 433.504 5.598 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1cccs1)c1ccc2ccccc2c1 170155497 YGTYGAOCKDEBGF-QFIPXVFZSA-N 429.472 5.823 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@@H]1c1cccnc1 170190308 OSLIPLAOQQNTFN-HSZRJFAPSA-N 442.515 5.107 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1cccnc1)c1cccc2ccccc12 170197444 PUFRZQQOGOJTSG-DEOSSOPVSA-N 438.458 5.152 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccccc2)ccc1OC(C)C 170224700 ZETZRGLFMULQSI-DEOSSOPVSA-N 443.499 5.271 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2)ccc1OC(C)C 170226301 UEWMTLYJQLELSJ-XMMPIXPASA-N 427.500 5.565 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2C2CCCCC2)cc1 170266652 SSTONUWIGWUMCS-RUZDIDTESA-N 447.575 5.947 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccccc1C 170269821 KBAAJRDYSQVDMF-QFIPXVFZSA-N 447.556 5.460 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1C 170275500 MEIGYVDEMUJNRH-RUZDIDTESA-N 445.603 6.512 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1ccccc1C 170277494 HVBPEMPNDIEIPU-DEOSSOPVSA-N 435.564 5.859 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccco1 170288651 DCXOFKFTWMOSRL-LJQANCHMSA-N 428.271 5.678 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccc(C)o2)cc1 170301358 IXUNMQLLTGHZTH-XMMPIXPASA-N 443.499 5.258 30 10 IKEE CCCCCCCCCCCCCCCCCCNC(=O)c1ccccc1C(=O)OC 196600800 FFCCOJGZHHVVCC-UHFFFAOYSA-N 431.661 7.465 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)c2ccc(NC(C)=O)cc2)cc1 210047618 BDBZXYDROADTGE-ATVHPVEESA-N 437.499 5.402 30 10 IKEE O=C(O)COc1cccc(/C=C2/SC(=Nc3ccccc3)N(C3CCCCC3)C2=O)c1 252621053 MRYAVTGIDHXNGI-QGJBXVFPSA-N 436.533 5.087 30 10 IKEE CCc1ccc(N=C2S/C(=C/c3cc(C)ccc3C)C(=O)N2c2ccc(CC)cc2)cc1 252628519 SRZZRVYDVLHOKV-ZQWONFHDSA-N 440.612 7.237 30 10 IKEE CCOc1ccc(N=C2S/C(=C\c3cc(Cl)c(O)c(OCC)c3)C(=O)N2CC)cc1 252630266 UYEFUCBMVPRGOI-GIFQUSADSA-N 446.956 5.467 30 10 IKEE CCCC[C@@H](CC)OC(=O)CSc1nnc(N/N=C/c2ccc(Cl)cc2Cl)[nH]1 253568028 KTMBWSMEZGULQS-YVJZOELXSA-N 444.388 5.162 30 10 IKEE COc1ccc2ccccc2c1C=Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 254288397 FWERGIIKWSLXRL-UHFFFAOYSA-N 442.540 5.350 30 10 IKEE Cc1ccc(-c2nc3cc(N=Cc4c5ccccc5cc5ccccc45)ccc3o2)cc1C 254750209 IRQQPESIJCBECP-UHFFFAOYSA-N 426.519 8.169 30 10 IKEE C=CCn1c(-c2ccccc2)c(NC(=O)OC)sc1=NN=Cc1ccc(C(C)C)cc1 254814731 VFOVSNCOPHVUTF-UHFFFAOYSA-N 434.565 5.639 30 10 IKEE C#CCOc1ccc(Br)cc1CNc1cccc(NC(=O)OC(C)(C)C)c1 312205355 LRZFUEWGSJJQOO-UHFFFAOYSA-N 431.330 5.420 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3cccc4ccccc34)[C@H]2c2ccc([N+](=O)[O-])o2)cc1 526489600 BROBOXRZHPBRHS-HSZRJFAPSA-N 437.411 5.270 30 10 IKEE CCCOc1ccc([C@@H]2C(c3ccc(OC)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526518216 YZWHAWQVKSKRNI-RUZDIDTESA-N 440.499 5.413 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(N(C)C)cc2)cc1 526604547 ORHOILLLAXNHEZ-RUZDIDTESA-N 439.515 5.080 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Br)cc2)c1 526707220 FDIGSRFZSRALMU-NRFANRHFSA-N 448.316 5.540 30 10 IKEE CCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1ccc(OC)c(OC)c1 526805538 IDANNRODSSTLMK-MYYYXRDXSA-N 438.597 5.330 30 10 IKEE COc1cccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2cccc(C)c2)c1 526808431 IUSJXKYNBODKDG-IMRQLAEWSA-N 442.588 5.555 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccc([N+](=O)[O-])cc1 526816952 LSZLDKVKUIJSOA-XKZIYDEJSA-N 429.933 5.357 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1cccc(Cl)c1Cl 526819017 LVYJORHGFKTCJG-MSXFZWOLSA-N 433.408 6.329 30 10 IKEE C#CCCCCC[C@@H](NCCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 686706856 XFGVDHFKZWOBDV-HXUWFJFHSA-N 437.422 6.421 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 698897680 ZLEJKVZEBTWMEV-HOYKHHGWSA-N 429.561 5.276 30 10 IKEE COc1ccc(C(CSc2nc3ccccc3o2)=NNc2ccc([N+](=O)[O-])cc2)cc1 1084037526 BZYRVIBYADHEOF-UHFFFAOYSA-N 434.477 5.353 30 10 IKEE C#CCOC(=O)/C=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 1084395670 PSFSDRBLHKZSDA-YVMONPNESA-N 440.120 5.525 30 10 IKEE C=CCN1C(=O)/C(=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)SC1=S 1084444639 FUSBUHHALLARAV-WOJGMQOQSA-N 436.385 5.960 30 10 IKEE C=CCOc1ccc(/C=C(/Cl)c2nc(O)c3c(C)c(C(=O)OCC)sc3n2)cc1 1317704457 HSPIHSAEGLKTNK-RVDMUPIBSA-N 430.913 5.184 30 10 IKEE C=C(C)[C@@H]1CC[C@]2(CO)CC[C@@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12 1565535296 FVWJYYTZTCVBKE-BCFKURIHSA-N 442.728 6.997 30 10 IKEE C/C(=N/N(CC(F)(F)F)C(=S)Nc1c(Cl)cc(Cl)cc1Cl)C(F)(F)F 1614341166 BGCPDSIMLBXKQJ-FPQMYIDKSA-N 446.631 6.146 30 10 IKEE CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)O[C@H](C#N)c1ccc(C(=O)c2ccccc2)s1 1614950000 QZBJJONELUBFOV-LBTNJELSSA-N 434.344 5.678 30 10 IKEE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(F)cc1)CC2=NOC(=O)c1ccc(Cl)cc1 1772722350 DSRHADOWLCOOCB-RPWUZVMVSA-N 442.918 5.847 30 10 IKEE CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=Nc1nc(-c2ccccc2)cs1 1772739733 VAUVOPUXHONSPG-YIFJCWOOSA-N 425.966 6.087 30 10 IKEE C/C(=C1\SC(=Nc2nc(-c3ccccc3)cs2)N(C)C1=O)c1ccc([N+](=O)[O-])cc1 1772740339 XHEVNKOUKNESNB-RVNILFKFSA-N 436.518 5.342 30 10 IKEE CCc1ccc(-n2cc(/C=N\NC(=S)Nc3ccccc3)c(-c3ccc(F)cc3)n2)cc1 1857810149 SFDJEKPQDWNPNC-YUMHPJSZSA-N 443.551 5.561 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccc2OCC(=O)c2ccccc2)c1 1858752182 UMQIZFNXPCLMDX-UHFFFAOYSA-N 429.520 5.433 30 10 IKEE N#Cc1c(NC(=O)c2ccc3nc(-c4ccccc4Cl)oc3c2)sc2c1CCCC2 1859742993 RJFBVYSJHKRNLH-UHFFFAOYSA-N 433.920 6.212 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)c1ccccc1Br 1861021432 VMPCZSPGPSBDKK-LJQANCHMSA-N 425.411 5.214 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 1862393336 TULWPOKYFWSZLD-JOCHJYFZSA-N 436.508 5.316 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1c(F)cccc1Cl 1862404513 COZUROSLMGFRNX-RNODOKPDSA-N 431.891 5.173 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1cccc2ccccc12 1862460818 QPYJCPWLGIHJGH-JOCHJYFZSA-N 439.433 5.636 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2cccc(F)c2)cc1 1862488473 AOICYDUJXDBTIP-XMMPIXPASA-N 445.490 5.230 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccc(F)cc2)c1 1862490041 MMPNDEZYWNNPQV-KOSHJBKYSA-N 429.491 5.782 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862491795 BVEORKCXKWWKCJ-QFIPXVFZSA-N 436.508 5.370 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cccc(Br)c1 1862509685 NSJZNTKHJZURJP-DJJJIMSYSA-N 446.316 5.273 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cccc(OCCC)c1 1862511170 MJGBPQGJLTZBFW-HSZRJFAPSA-N 439.527 5.691 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)cc3)=C(O)C(=O)N2CC)cc1 1862521146 AHWAINPOYHHXHN-HSZRJFAPSA-N 437.536 5.253 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1cccc(C)c1 1862523463 IGRWIERZMHZYDI-IFXJQAMLSA-N 428.326 5.134 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc([N+](=O)[O-])cc1 1862546676 CJIQZIUKEMZEQD-HSZRJFAPSA-N 448.519 5.242 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccccc2Cl)c1 1862559979 AXVDJHXFYQSAOT-QFIPXVFZSA-N 436.939 5.391 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1 1862580787 RSXOZNHTZDPFHB-RFVSGWPVSA-N 444.358 6.150 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2cccs2)c1 1862596393 MUIDAJJNYKSPEY-QFIPXVFZSA-N 449.528 5.021 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(F)cc1 1862617070 UNHDLVUYIHOKLA-JOCHJYFZSA-N 439.527 5.128 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccc1 1862648460 BOTCHUOCKVOTRH-ATIYNZHBSA-N 441.571 6.777 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2ccccc2C)cc1 1862686915 FMJSEAFQBWCQGA-VWLOTQADSA-N 441.527 5.399 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862713297 MAQNDCBFWMOMSM-SANMLTNESA-N 433.507 5.927 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(F)cc1F 1862725322 GTHVHHFKIWZPNX-DEOSSOPVSA-N 447.481 6.010 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 1862741245 NUVPKBORXUOMPS-OAQYLSRUSA-N 448.862 5.027 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(Cl)cc2)[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 1862747431 MISVFVUGPKCDEN-NRFANRHFSA-N 448.862 5.027 30 10 IKEE N#Cc1ccccc1NC1=C(c2cc(Cl)ccc2Cl)C(=O)N(c2ccccc2)C1=O 1863011341 IZAACVDZZZIPAJ-UHFFFAOYSA-N 434.282 5.262 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccc4ccccc4c3)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1863029358 KKOSLTKBZOVKMM-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE CCCCc1ccc(NC2=C(c3cccs3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1863119778 GQYYTZYDMOFIOF-UHFFFAOYSA-N 427.529 5.359 30 10 IKEE CCc1nc2c(Cl)cccc2c(C(=O)Nc2c(C#N)c(-c3ccccc3F)nn2C)c1C 1866276304 CSXFDTDRFCGHOE-UHFFFAOYSA-N 447.901 5.423 30 10 IKEE CN1CCN(c2cc(Nc3cccc(C#N)c3)nc(C(C)(C)C)n2)C[C@H]1c1ccc(F)cc1 1868333455 KBLXFLOOWQCRCM-QFIPXVFZSA-N 444.558 5.022 30 10 IKEE CCCc1nc(Nc2cccc(C#N)c2)cc(N2C[C@H](C)N(c3ccccc3)[C@H](C)C2)n1 1868378915 WZKOSHRFDOTSAE-BGYRXZFFSA-N 426.568 5.148 30 10 IKEE CCCc1nc(Nc2ccccc2C#N)cc(N2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)n1 1868398702 OZBDDDYYOGZPLZ-HTAPYJJXSA-N 431.515 5.150 30 10 IKEE CCCCCCCCn1cc(OCCCCCCC)c(=O)cc1CN1C[C@H](C)O[C@@H](C)C1 1870413253 XAVBQDYFJBXFNF-ZEQRLZLVSA-N 448.692 6.167 30 10 IKEE CCCCCCCCCCn1cc(OCC2CCCCC2)c(=O)cc1CN(C)CCCC 1870485422 WSJZDFCUYDCCFM-UHFFFAOYSA-N 446.720 7.180 30 10 IKEE CCCCCCCCn1cc(OCCCCCC)c(=O)cc1CN1C[C@@H](C)C[C@H](C)C1 1870676971 NFTCXACDRJHLAK-ZEQRLZLVSA-N 432.693 6.646 30 10 IKEE CCCCCCCOc1cn(CCCOCC)c(CNc2ccc(N(C)C)cc2)cc1=O 1870830529 SLZPOJHABPGELO-UHFFFAOYSA-N 443.632 5.302 30 10 IKEE C#CCOc1cn(Cc2ccc(C)cc2)c(CNc2cc(C(C)C)cc(C(C)C)c2)cc1=O 1871009242 LQNSDXVALKVDRK-UHFFFAOYSA-N 442.603 6.076 30 10 IKEE CCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CNc1ccc(Cl)cc1C 1871058441 FWBAKVQIHHVUGY-UHFFFAOYSA-N 445.047 7.128 30 10 IKEE CCCCCCN1COc2c(cc3c(c2C)O/C(=C\c2ccc(Cl)cc2Cl)C3=O)C1 1871353567 TUBSKPIFQDYZGX-NHDPSOOVSA-N 446.374 6.650 30 10 IKEE O=C(/C=C/c1ccco1)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O 1871369457 MLEHCKYHRVWQJB-RQIKSRJSSA-N 427.239 5.821 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc(OC)cc4)ccc3C2=O)cc1 1871377008 PGHWXBZCUKKXKZ-FUPWBYONSA-N 426.468 5.493 30 10 IKEE Cc1cc(OC(=O)CCc2ccccc2)cc2c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O2 1871385949 VNAWLBFBKSZOMJ-XYGWBWBKSA-N 426.512 6.273 30 10 IKEE Cc1cc(OC(=O)c2cccc(OC(=O)C(C)C)c2)cc2c1C(=O)/C(=C/c1ccccc1)O2 1871390509 ZVOWUUOHXJPHHY-QRVIBDJDSA-N 442.467 5.392 30 10 IKEE CC(C)=C1Oc2cc(OC(=O)c3cccc(OC(=O)c4cccs4)c3)cc(C)c2C1=O 1871392102 PFPLGWSHXCMCHN-UHFFFAOYSA-N 434.469 5.364 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O 1871402244 GCWDQYQCWDTEGJ-SNNLMFDCSA-N 445.490 5.719 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4c(C)cccc4C)ccc3C2=O)cc1 1871431139 FQGYGSZHFWVMEF-MGKUZBKYSA-N 441.527 5.888 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccc(Cl)cc2)C3=O)c1 1871454807 YXPYOJMSFDCDKM-QRVIBDJDSA-N 447.918 5.899 30 10 IKEE C=CCN([C@H](CC)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1871840803 OZFGRQLMDJNDIH-HSZRJFAPSA-N 428.598 5.021 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccccc1C)S(=O)(=O)c1cc(C)ccc1C 1872412277 HYWLGRJVBCRPGS-QHCPKHFHSA-N 442.625 5.376 30 10 IKEE C=CCN([C@@H](C(=O)Nc1cccc(Cl)c1C)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872423102 NJQQXBJFRJAFQT-JOCHJYFZSA-N 449.016 5.105 30 10 IKEE COc1ccccc1-c1csc([C@H](C#N)C(=O)COc2ccc(C)cc2C(C)(C)C)n1 1872762964 BBMWBHBAHSPHFM-GOSISDBHSA-N 434.561 5.680 30 10 IKEE N#C[C@H](C(=O)COc1ccc(Cl)cc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872763613 QDCYDPZVSICVAV-CQSZACIVSA-N 448.287 5.280 30 10 IKEE COc1ccc(C)cc1-c1csc([C@@H](C#N)C(=O)Cc2ccc(Br)cc2)n1 1872771923 FWOYTBGWMCGZPK-KRWDZBQOSA-N 441.350 5.309 30 10 IKEE Cc1cccc(C)c1OCCCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)s2)cs1 1872789269 CHEFKHNYFHCHKF-OAHLLOKOSA-N 430.982 6.177 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(OC)c2)cc2c(NCCCCCCCC)ncnc21 1873621241 MHSUTGDDFKMYMG-UHFFFAOYSA-N 435.572 5.651 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(OCCCC)cc2)cc2c(N(CC)CCCC)ncnc21 1873654743 SWYWYIZJSOXHGJ-UHFFFAOYSA-N 449.599 5.675 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](C)Oc1cc2oc(=O)cc(CC)c2cc1Cl 1873935485 RZLOAWZSBUVXLX-QGZVFWFLSA-N 435.992 6.033 30 10 IKEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3ccc(Cl)c(Cl)c3)c(=O)oc2c1 1873945526 ZBEBWPNYQXTWHH-UHFFFAOYSA-N 446.330 5.934 30 10 IKEE CSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1ccc(F)cc1F 1874198378 YTUXTNKGJUQUPK-CVKSISIWSA-N 438.503 5.325 30 10 IKEE CCSc1nnc(CCCOc2ccc(OC)cc2)n1/N=C/c1ccc(C(C)C)cc1 1874221372 HVLXTKXNHXAFCN-KOEQRZSOSA-N 438.597 5.416 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccc(F)cc1F 1874230933 JYHKWNNWYIUIDT-BHGWPJFGSA-N 436.915 5.481 30 10 IKEE CCCOc1ccc(/C=N/n2c(CC34CC5CC(CC(C5)C3)C4)nnc2SCC)cc1 1874244313 ZELBVVMHNSCSJK-YZSQISJMSA-N 438.641 5.820 30 10 IKEE CCCc1ccc(OCc2nnc(SCc3ccccc3C)n2/N=C/c2ccco2)cc1 1874257141 LQWPHUACMZLCQH-WGOQTCKBSA-N 446.576 5.886 30 10 IKEE Clc1ccc(CCc2nnc(SCCc3ccccc3)n2/N=C/c2ccccc2)cc1 1874283781 ZKVDKFSIIOXVMH-ZXVVBBHZSA-N 447.007 5.934 30 10 IKEE COc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2cccs2)cc1 1874292201 RQHPYEFMZVRIAX-OEAKJJBVSA-N 436.562 5.102 30 10 IKEE Clc1ccccc1CSc1nnc(COc2ccccc2)n1/N=C/c1cccs1 1874384583 XPTUBJMYLFIPPT-YDZHTSKRSA-N 440.981 5.747 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3cccs3)n2/N=C/c2ccc(Cl)cc2)c1 1874422370 IKZNVICFSARDOG-ZMOGYAJESA-N 439.009 6.451 30 10 IKEE COc1cccc(/C=N/n2c(SCc3cccc(C)c3)nnc2-c2ccco2)c1OC 1874465386 GMPQZRZJDDAGLY-ZVHZXABRSA-N 434.521 5.038 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccccc2C)n1/N=C/c1cccc(Cl)c1 1874477831 KIJNKRCFNZPWKJ-ZVHZXABRSA-N 441.988 5.196 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2ccc(C)cc2)cc1 1874483584 CEZOUMYQTOCBPN-MFKUBSTISA-N 435.597 5.059 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C(C)(C)C)c1 1874484112 GEEUTNCROJPJMM-ZVHZXABRSA-N 428.989 5.802 30 10 IKEE CCOc1cc(/C=N/n2c(SCC)nnc2C(C)C)ccc1OCc1ccccc1C 1874512558 DGSRBMWKWVVFAT-MFKUBSTISA-N 438.597 5.682 30 10 IKEE CC(C)(C)c1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CC2)cc1 1874520699 LTCFBHXMLYJEHO-OGLMXYFKSA-N 440.616 6.781 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/n2c(S)nnc2C(F)(F)F)cc1Cl 1874559785 OOKUZVSUIGHWGH-ZMOGYAJESA-N 448.942 6.251 30 10 IKEE O=C(COc1ccccc1/C=C/C(=O)c1ccc2ccccc2c1)Nc1ccc(F)cc1 1874571307 GZJZBEWCIMHQEQ-LFIBNONCSA-N 425.459 5.893 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1ccccc1Cl)c1ccc2ccccc2c1 1874571327 HWFMBGVAXSZYPK-ACCUITESSA-N 433.334 7.622 30 10 IKEE O=C(/C=C/c1c(OCc2ccccc2F)ccc2ccccc12)c1ccc([N+](=O)[O-])cc1 1874575332 HXNKTTKZNIAMPT-CCEZHUSRSA-N 427.431 6.362 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3ccccc3c2/C=C/C(=O)c2ccc(C)cc2)cc1 1874579347 JLDCSYAGANOPHG-WUKNDPDISA-N 435.523 6.370 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(C)ccc2C)c1OCc1c(Cl)cccc1Cl 1874580524 RVQHUTHCGBXVAX-OUKQBFOZSA-N 441.354 7.094 30 10 IKEE CCOc1ccc(Br)cc1/C=C/C(=O)c1cc(Cl)c(OC)cc1OC 1874588567 SZTYGIVNIGUHMM-FNORWQNLSA-N 425.706 5.415 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2ccccc2)c(OCC)c1 1874589608 UXGDMZFVRCYMQM-SAPNQHFASA-N 432.516 5.968 30 10 IKEE Cc1ccc(NC(=O)COc2cccc(/C=C/C(=O)c3ccc(C(C)C)cc3)c2)c(C)c1 1874597880 JBRGCZONEMURML-OQLLNIDSSA-N 427.544 6.340 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3c(C)cccc3C)c2)c(OC)c1 1874598722 AWUIVVJHXMIXQS-SDNWHVSQSA-N 445.515 5.234 30 10 IKEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1Cl 1874601542 QCNRSEYFRDOBOD-MHWRWJLKSA-N 447.962 6.150 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3C)c(Br)c2)cc1 1874609147 AJWAPTUVSLNTIN-NTUHNPAUSA-N 437.333 6.241 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(F)c3)c(OCC)c2)cc1 1874617205 QHEDIQAYYSNANB-RIYZIHGNSA-N 434.507 6.488 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2Cl)c1 1874617972 CQMWPZFRQHMFMJ-VQHVLOKHSA-N 447.962 6.487 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1Cl 1874625942 DWPAZUYWDRNVAO-WEVVVXLNSA-N 435.898 5.542 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)ccc1OCc1ccccc1C 1874639633 IRXJQGFSBHJXLR-JLHYYAGUSA-N 448.515 5.505 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2ccccc2Cl)cc1OC(=O)C1CC1 1874696616 ITNNLTPFLSUWSA-CMDGGOBGSA-N 435.701 5.323 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1OC(=O)Cc1ccc(F)cc1 1874698885 RUEHUYDHTCTKPQ-ONNFQVAWSA-N 426.390 5.157 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OC(=O)c1ccc(F)c(F)c1F 1874703616 YDHGETGMWPVWEV-UXBLZVDNSA-N 440.417 5.845 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1OC(=O)c1cnc(C)cn1 1874706187 UPUATJZYKNPBKL-WUXMJOGZSA-N 430.504 5.206 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1cccc(/C=C/C(=O)c2ccc3c(c2)OCO3)c1 1874707579 LQOKMUBFVKTEIC-ACCUITESSA-N 444.483 5.384 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(Cl)cc2)CSc2nnc(C3CCC3)n21 1874876244 FBWSNORIWHRNCS-HXUWFJFHSA-N 447.048 6.261 30 10 IKEE Cc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4ccccc4c3)cc2Cl)c1 1875096548 TWASRTSOLGEZAW-UKTHLTGXSA-N 426.899 6.917 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)CSc3ccccc3)c([N+](=O)[O-])c2)c1 1875101415 AVUBMRCBRWTRCK-ZRDIBKRKSA-N 449.484 5.197 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)COc3c(C)ccc(C)c3C)cc2)c1 1875102222 BEXWKLUSIHLZEA-NTCAYCPXSA-N 430.500 5.501 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)[C@@H]3CCCO3)c(OC)c2)cc1 1875107063 YNLVLXYPPYYBBS-FZNBYNMYSA-N 438.520 5.027 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(C)c3)cc2OC)cc1 1875108918 MPRDUKVGMYXUFY-MDWZMJQESA-N 430.500 5.690 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)c1cc(Cl)ccc1Cl 1875129292 UDTUCZBCLJWSDL-YRNVUSSQSA-N 427.283 6.117 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)c1ccc(N(C)C)cc1 1875134123 QYBKNMRSCHQXRK-OVCLIPMQSA-N 443.543 5.883 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2OC)cc1 1875140261 YDTXAIVNXDTXFY-GXDHUFHOSA-N 444.527 5.755 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)COc1ccccc1 1875142614 LQGWQSILQYVQNQ-UKTHLTGXSA-N 434.463 5.413 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(OC)ccc3OC)cc2OC)cc1 1875147499 WQAYDIZOYUPKPA-MDWZMJQESA-N 446.499 5.390 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc(Cl)c1OC(=O)C(F)(F)F 1875151919 IPPZYMXXXUMKPP-GQCTYLIASA-N 446.780 5.250 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])cc1 1875158275 NUGHEBIRLGNEMF-WLRTZDKTSA-N 449.434 5.177 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccs3)c([N+](=O)[O-])c2)c(C)c1C 1875167345 ZWUPLOQIGBGWMU-RMKNXTFCSA-N 437.473 5.397 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)C1CCCC1 1875182860 YNMBJUXUXJFDHZ-MDZDMXLPSA-N 426.940 6.266 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)CC(C)(C)C 1875183165 NNPQKXAKKZLHDX-MDZDMXLPSA-N 442.983 6.902 30 10 IKEE O=C(Nc1ccc(C(F)(F)F)c(F)c1)c1ccc(C(F)(F)F)cc1Br 1889902954 XPEDEOJJLYBANY-UHFFFAOYSA-N 430.117 5.878 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cc(SC)ccc3Cl)ccc21 1890501880 GQMIYPRQEDLGEE-UHFFFAOYSA-N 430.957 5.252 30 10 IKEE CC(C)(C)c1cc(CCC(=O)N2CCN(c3cccc(C#N)c3)CC2)cc(C(C)(C)C)c1 1892181644 AXNSVZSLGXHJFR-UHFFFAOYSA-N 431.624 5.435 30 10 IKEE C=C([C@H](NCC)c1cc(Br)ccc1I)[Si](C)(C)C 1922873976 LLKNQOSJQGGORR-AWEZNQCLSA-N 438.223 5.138 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2C[C@](C#N)(N(C(=O)OC(C)(C)C)C3CCCC3)CC[C@@H]21 1940541324 JTQKMKRIEGQSON-YIGJPRQDSA-N 433.593 5.238 30 10 IKEE CC[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)CN1Cc1ccccc1 1942588847 GJXMHVGEERRCNA-SQJMNOBHSA-N 439.987 6.028 30 10 IKEE CC(C)(C)OC(=O)NCC[C@@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C1 1949136261 XINXAGINDCMSSF-MHECFPHRSA-N 429.561 5.405 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1[C@H](C2CC2)CCN1C(=O)OC(C)(C)C 1950328221 FYCVTHWZGMZNJG-KMDXXIMOSA-N 428.617 5.163 30 10 IKEE N#Cc1ccc([C@H]2[C@H](C(=O)O)CCN2C(=O)OCC2c3ccccc3-c3ccccc32)s1 1952856541 AZSHCNSWXRAVNS-NFBKMPQASA-N 444.512 5.016 30 10 IKEE C#CCCN(C(=O)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCC1 1984727871 VHCNEMADOVDGBK-HXUWFJFHSA-N 444.575 5.098 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@]1(C#N)CCCC[C@H]1OCc1ccccc1 1998817780 IWNKGWFKUIXKSQ-ZEQKJWHPSA-N 426.601 6.368 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)C1(NC(=O)OC(C)(C)C)CCC2(CC2)CC1 2023715164 VAVKLZZRRSPISW-QFIPXVFZSA-N 428.617 5.355 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)NCCC 2024150580 LHYQJHSTABKWDS-JRFVFWCSSA-N 430.633 5.601 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@]2(C#N)N(C(=O)OC(C)(C)C)C2CCCC2)C1 2038636292 CEEDPLBWTVBEKR-LOSJGSFVSA-N 447.620 5.630 30 10 IKEE O=C(C=Cc1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 2053513822 WXKQREZLZURXNV-UHFFFAOYSA-N 439.496 6.099 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@]2(CC[C@]2(C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)C1 2066138315 JMWLWRYAEGUPIK-JWQCQUIFSA-N 447.620 5.630 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@@]1(C#N)CCN(Cc2ccccc2)C(C)(C)C1 2079242263 ZPPYLFJXWREJRF-SANMLTNESA-N 437.559 5.904 30 10 IKEE COc1ccc([C@@H](n2nc(C3(C)CC3)c(C#N)c2I)C(C)(C)C)cc1 2079855489 MKVINGQANJUXRW-QGZVFWFLSA-N 449.336 5.055 30 10 IKEE COc1ccc([C@@H](n2nc(C3CCC3)c(C=NO)c2Br)C(C)(C)C)cc1F 2080107397 NJFLHNUPFQQKIS-GOSISDBHSA-N 438.341 5.504 30 10 IKEE Cc1ccc(F)c(Cn2nc(C3CCC3)c(C#N)c2Br)c1Br 2080282856 VYLIGPYNAJAEFN-UHFFFAOYSA-N 427.115 5.043 30 10 IKEE CC(C)[C@@H]1CC=C(C(=O)c2ccc(Br)cc2I)CC1 2142287802 GBKUBLOCKXWCJA-LLVKDONJSA-N 433.127 5.619 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)C1(C#N)C[C@H]2CCCCC[C@@H]2C1 2153399628 KJXNRRXNUIHKTO-IAGOWNOFSA-N 433.390 6.443 30 10 IKEE CC[C@]1(CNc2ccc(C#N)c(Br)c2F)CCCCN1C(=O)OC(C)(C)C 2162424076 WYQXGWXHNKFKAC-HXUWFJFHSA-N 440.357 5.442 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 2215220745 ZSIIRMOHYSLTOF-HSZRJFAPSA-N 447.963 5.375 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H](C)CCCNC(=O)OC(C)(C)C 2235746117 IEJHMBATJOAXIX-FXAWDEMLSA-N 437.422 5.110 30 10 IKEE C=C([C@H](NCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)C(C)(C)C 2237401727 AVFLXCASHYZUAU-MOPGFXCFSA-N 439.438 5.465 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(NC(=O)[C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)c(Cl)c1 2247944384 OIYWTDUSRLCCQF-KBPBESRZSA-N 436.745 5.108 30 10 IKEE C=CC[C@@]1(COc2nccc(C)c2Br)CCCN(C(=O)OC(C)(C)C)C1 2272151438 VRNCYDBIVSJGPV-HXUWFJFHSA-N 425.367 5.125 30 10 IKEE C=CC[C@]1(COc2cc(C)c(Br)cn2)CCCN(C(=O)OC(C)(C)C)C1 2272227437 COTVXSDKWXFTJY-FQEVSTJZSA-N 425.367 5.125 30 10 IKEE N#C[C@@H](C(=O)c1scc(Br)c1Cl)c1ccc(Br)c(F)c1 2287165136 GSLLVOUETYTUDE-SSDOTTSWSA-N 437.515 5.556 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)c1scc(Br)c1Cl 2296257024 CKBAMSSJQPSMRU-ZDUSSCGKSA-N 433.596 5.629 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C#Cc1ccc(Br)cc1 2296276832 MHOKFKZMPYVJEE-PMACEKPBSA-N 436.390 5.025 30 10 IKEE O=C1C(=O)N(c2ccccc2)[C@@H](c2ccccc2)C1=C(O)c1ccc(Br)cc1 2296766003 AQIAOSBTZOGYBE-FQEVSTJZSA-N 434.289 5.075 30 10 IKEE CCN1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=Nc1nc(-c2ccccc2)cs1 2314543511 FYDBAELMJGRYIR-UHFFFAOYSA-N 436.518 5.342 30 10 IKEE CCCOc1c(Cl)cc(C=Nn2cnnc2SCc2cccc(C)c2)cc1OCC 2318574753 SKUCYWBBHYXYQU-UHFFFAOYSA-N 444.988 5.602 30 10 IKEE Clc1ccc(CSc2nnc(C3CC3)n2N=Cc2c[nH]c3ccccc23)c(Cl)c1 2320892199 OQOHGHPJKYQFMP-UHFFFAOYSA-N 442.375 6.118 30 10 IKEE Oc1ccc(Cl)cc1C=Nn1c(SCc2c(F)cccc2Cl)nnc1C1CC1 2320917863 DLDJGTLNTMZQAF-UHFFFAOYSA-N 437.327 5.482 30 10 IKEE CCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1N=Cc1ccc(C(C)(C)C)cc1 2320933918 XNCZJPWXYCRBJH-UHFFFAOYSA-N 449.624 5.368 30 10 IKEE Cc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(CCc1ccc(Cl)cc1)C3 2321935002 IDVKUZJMPFGXTE-UHFFFAOYSA-N 445.946 5.968 30 10 IKEE CCCCC[C@H](CC)N1COc2c(cc3c(c2C)OC(=Cc2ccccc2OCC)C3=O)C1 2322356861 ZFUMJRZWEJUEIS-QFIPXVFZSA-N 449.591 6.521 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccccc1Cl)C3=O)CN(CCC1=CCCCC1)CO2 2322377320 GSKNVXMEKKROIY-UHFFFAOYSA-N 435.951 6.307 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(Cl)cc2)c1OCC(=O)N[C@@H](C)c1ccccc1 2322542304 WPYSGNRGWYLRIG-SFHVURJKSA-N 449.934 5.501 30 10 IKEE O=C(COc1ccccc1C=CC(=O)c1ccc(Cl)c(Cl)c1)NC1CCCCC1 2322580373 RTDSOVFPRRNLCQ-UHFFFAOYSA-N 432.347 5.717 30 10 IKEE CCCNC(=O)COc1ccc2ccccc2c1C=CC(=O)c1cc(C)c(OC)cc1C 2322991826 QHPAEJDNCYGOLR-UHFFFAOYSA-N 431.532 5.266 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc(OC(=O)C=Cc3ccc(F)cc3)c2C)C1=O 2323044438 NCIBHSJQSATALO-UHFFFAOYSA-N 430.431 5.378 30 10 IKEE Cc1c(OC(=O)c2ccc(Cl)c(Cl)c2)ccc2c1OC(=Cc1cccnc1)C2=O 2323259464 KSVYGYYALUTUGY-UHFFFAOYSA-N 426.255 5.532 30 10 IKEE C=CCOc1c(OCC)cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-] 2323352774 PYLHEJRZWGWEGV-UHFFFAOYSA-N 429.472 6.121 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2C)C3=O)cc1 2323628207 DOLQOZNRYMKCCJ-UHFFFAOYSA-N 428.440 5.064 30 10 IKEE Cc1c(OC(=O)C(C)(C)Oc2ccc(Cl)cc2)ccc2c1OC(=Cc1ccncc1)C2=O 2323711024 RGWCVKZIOSWNKA-UHFFFAOYSA-N 449.890 5.423 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccncc1)C2=O)c1ccc(OCc2ccccc2)cc1 2323839936 PWLBOPMVTOJILK-UHFFFAOYSA-N 449.462 5.496 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3F)c(OC)c2)cc1 2323844450 PBAHICLSDBEODG-UHFFFAOYSA-N 449.478 5.147 30 10 IKEE COc1ccc(-c2csc(NN=Cc3ccc(OC(C)C)c(Cl)c3)n2)cc1OC 2323865142 MFKZKHCWQMPADI-UHFFFAOYSA-N 431.945 5.714 30 10 IKEE CCCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(C)o2)C3=O)cc1 2323943555 WVOMDZOBALOAHG-UHFFFAOYSA-N 446.455 5.437 30 10 IKEE CCCCN(CCCC)Cc1c(O)ccc2c1OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2324077785 WRFYEBIZVCPQSP-UHFFFAOYSA-N 435.608 6.708 30 10 IKEE CCCCCOc1cc(C)c2c(c1)OC(=Cc1cc(Br)ccc1OC)C2=O 2324266082 OBQNUFZSZRMSLC-UHFFFAOYSA-N 431.326 5.951 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1 2324358600 KHWQGCBOCJHTPX-UHFFFAOYSA-N 443.543 5.788 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(OC)c(Cl)cc2OC)cc(OC)c1OCCC 2324416647 NTTAWCIJJSVWRA-UHFFFAOYSA-N 430.928 5.779 30 10 IKEE C=CCc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OCc1ccccc1C 2324567655 DFTJRDBCVOFAHL-UHFFFAOYSA-N 440.583 7.132 30 10 IKEE COc1ccccc1C=C1Oc2cc(OCCCCOc3ccc(C)cc3)ccc2C1=O 2324585191 VCBMBSLJOSXLGH-UHFFFAOYSA-N 430.500 5.858 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3)cc2)cc1Cl 2324588961 DRMMKXXDOPFPPK-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OCC(=O)Nc3cc(C)cc(C)c3)cc2)cc1C 2324627971 IMSDJXHVMMFGSR-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4c(C)cccc4C(C)C)cc(C)c3C2=O)o1 2324990220 MQTZJLWBJXOWHO-UHFFFAOYSA-N 445.515 5.962 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OCC(=O)Nc3ccc(C(C)C)cc3)cc(C)c2C1=O 2325320067 JLKVOJJOYQQJQL-UHFFFAOYSA-N 447.556 6.122 30 10 IKEE Oc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 2325441561 BCCBBVUWNHLLCH-UHFFFAOYSA-N 432.524 5.083 30 10 IKEE CN(C)c1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(Cl)cc4)ccc3C2=O)cc1 2325513145 KHBHZNKNGAHHPP-UHFFFAOYSA-N 448.906 5.040 30 10 IKEE CCn1cc(C=C2Oc3cc(OCCN4CCCCC4)ccc3C2=O)c2cc(OC)ccc21 2325701393 BKNODGFPXBKUES-UHFFFAOYSA-N 446.547 5.151 30 10 IKEE CCOc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c(OC)c3)c2)cc1 2325703337 IQEXBCHWWDSZDH-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4Cl)cc(C)c3C2=O)c1 2325718193 XEEDXVACMBSCRK-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC)c(OC(=O)CCc3ccccc3)c2)cc1C 2325770525 ASQRSMHHRKWDII-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1cccc(OCC(C)C)c1 2326698928 NQFUUCOZUOGEGQ-UHFFFAOYSA-N 449.407 6.103 30 10 IKEE CC(C)Oc1c(Cl)cc(C=Nn2cnnc2SCc2cccc(F)c2)cc1Cl 2326725932 VGEZVXUXTVABAV-UHFFFAOYSA-N 439.343 5.686 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccccc1OCCC 2329101045 RWFHCYGDOLODMT-UHFFFAOYSA-N 441.000 5.862 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccc(Cl)cc3)n2N=Cc2ccncc2)c1 2329105303 RAKIDBZBPKKTCV-UHFFFAOYSA-N 447.995 5.709 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccccc1OC(C)C 2329566770 VNHJWJSERBDSJQ-UHFFFAOYSA-N 426.973 5.936 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCc3ccccc3)nnc2-c2ccccc2Cl)cc1 2329575964 UNGDBYJQVJZIRZ-UHFFFAOYSA-N 447.007 6.896 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2)n1N=Cc1ccc(OCCCC)cc1 2329918646 YLWMAAWPUHTNOD-UHFFFAOYSA-N 436.581 5.586 30 10 IKEE CCCOc1ccc(C=Nn2c(SCC)nnc2[C@H](C)c2ccccc2)cc1OCC 2330094089 VQEUOVLQNSZAFH-GOSISDBHSA-N 438.597 5.612 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@@H](C)c3ccccc3)n2N=Cc2ccc(O)cc2)c1 2330109635 KWVPCMTXPVXEGZ-FQEVSTJZSA-N 442.588 5.927 30 10 IKEE COc1ccccc1C=Nn1c(CC2CCCCC2)nnc1SCc1ccccc1F 2330272586 UHWWXRCQQAEKFK-UHFFFAOYSA-N 438.572 5.723 30 10 IKEE COc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)[C@@H]1CCCO1 2330615154 AWXVRMBLVHHKHE-VWLOTQADSA-N 428.484 5.343 30 10 IKEE CCCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccc(OCC)cc2)cc1OC 2331205398 OHFZOJPXHAMARD-UHFFFAOYSA-N 447.325 5.458 30 10 IKEE Fc1cccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C2CCC2)c1 2331534277 GLLLVBLUOQWMFX-UHFFFAOYSA-N 435.355 6.166 30 10 IKEE CC1(C)OB(c2ccc(Nc3ccc(OCc4ccccc4)cc3)c(C#N)c2)OC1(C)C 2339442479 DOLBPTWFPMWLLZ-UHFFFAOYSA-N 426.325 5.180 30 10 IKEE COC1(C#C[C@H](O)c2cc(Br)cc(NC(=O)OC(C)(C)C)c2)CCCCC1 2363514487 RMNCJKSFZMLDQB-SFHVURJKSA-N 438.362 5.182 30 10 IKEE CCCCCCCC[C@H](NC)[C@@H](O)c1sc(Cl)cc1I 2366653313 OGWKXFMVKBSLEX-GXTWGEPZSA-N 429.795 5.378 30 10 IKEE COc1c(O)cccc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2367311004 GTKZFCCGVQJWTC-INIZCTEOSA-N 433.302 5.170 30 10 IKEE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccncc1)C1=C(C[C@H](c3cccs3)CC1=O)N2 18199733 BSZSZVHMRDROBO-MHECFPHRSA-N 438.556 5.595 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc3ccccc3c2)cc1OC 20883374 YDVFYMCWUCRGPB-FCHUYYIVSA-N 441.527 5.251 30 10 IKEE CCOc1cc([C@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3onc(C)c32)ccc1OC 33321069 HNDMICIJUBJPRI-HOYKHHGWSA-N 430.504 5.349 30 10 IKEE COc1ccccc1-c1ccc2oc([C@H]3CCCN3C(=O)Nc3ccc(C#N)cc3)nc2c1 34908986 VXRWJJCXEXIGDX-JOCHJYFZSA-N 438.487 5.744 30 10 IKEE COc1cc(/C=C\C(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1cccs1 34954968 FFEXMIBSSJHEQP-DHDCSXOGSA-N 440.520 6.539 30 10 IKEE C=CCNC(=O)N(Cc1ccc(F)cc1)c1cccc(CC(=O)N[C@H](C)c2ccccc2)c1 37600794 WRFOTTVMVDAMPF-HXUWFJFHSA-N 445.538 5.148 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)cc1 38320843 SFRCFNXZUJUOIH-UCQKPKSFSA-N 443.455 5.728 30 10 IKEE O=C1/C(=C/c2c(F)cccc2Cl)Oc2cc(OCc3c(F)cccc3Cl)ccc21 38320994 SJGPRVABFFQTAN-FBHDLOMBSA-N 433.237 6.467 30 10 IKEE Cc1cc2nnc(S[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCC4)n2c2ccccc12 40170147 XHHCRXVTMFRZGS-CQSZACIVSA-N 447.589 5.122 30 10 IKEE Cc1cc(/C=N/c2ccccc2Br)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 59302878 CMCUZODRQHFLFB-FOKLQQMPSA-N 441.281 5.004 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H](CNc2nc3ccccc3n2Cc2ccccc2C#N)C1 95085312 JAJPHPDDKYAKOY-LJQANCHMSA-N 445.567 5.015 30 10 IKEE CCCCCCCCCCCCC/C(=N/O)c1ccc(OCc2ccccc2)cc1O 100166801 SIUUUJMMOFDKFF-SGEDCAFJSA-N 425.613 7.851 30 10 IKEE CCCCCCCCCCn1c([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc2ccccc21 101323451 XKJSGXCWUCEKTP-NRFANRHFSA-N 435.587 6.837 30 10 IKEE CCCCCCCCCCCn1c(CCCNC(=O)Cc2ccccc2)nc2ccccc21 102155885 UWSZJFDEJIVZHA-UHFFFAOYSA-N 447.667 6.859 30 10 IKEE CCCCCCCCCCCCCC1=C([C@H](O)[C@H](CO)NC(=O)CCCCCCC)C1 136243908 WHXCOSOMEQMKRN-BDYUSTAISA-N 437.709 6.586 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccc(OC)c2)cc1 169930775 YXLBJQDPVAVTOR-XMMPIXPASA-N 443.499 5.185 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2cccc(OC)c2)cc1 169935392 XHRQFSNYVUWKHH-VWLOTQADSA-N 441.527 5.657 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccccc2OC)c1 169943250 PMSJHJODOFLNJN-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)CCc2ccccc2)=C(O)C(=O)N1c1cccc(C)c1C 169944390 JARYFGPKWPLWJB-AREMUKBSSA-N 441.527 5.414 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(OC(C)C)cc2)cc1 169977556 MJKPPJYVOFSCCG-DEOSSOPVSA-N 443.499 5.265 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccccc2C)c1 170037424 QDKHMAFVDPJDBP-DEOSSOPVSA-N 445.490 5.624 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCCC2)c1 170039286 SBPSAGWNYNBTMI-QFIPXVFZSA-N 439.939 5.650 30 10 IKEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccco1)c1cccc(Cl)c1 170098134 CEZIDSROIRNHBV-GOSISDBHSA-N 436.876 5.326 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1C1CCCCC1 170123874 GRIXQYNKXQVRAH-VWLOTQADSA-N 441.527 5.759 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2cccc(F)c2)c1 170140298 XJMAMMJXQUHESE-VWLOTQADSA-N 437.470 6.070 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2cccnc2)c1 170184024 FLVXYLAPINCZDJ-QHCPKHFHSA-N 446.478 5.038 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccnc2)cc1C(C)C 170196982 WUAUWPDMEJFLGR-QHCPKHFHSA-N 434.536 5.043 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccccc2)c1 170226765 YQEFQNRDJDCLRL-JOCHJYFZSA-N 449.890 5.140 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2)c1 170227064 CLUWMIRGRFUPIJ-XMMPIXPASA-N 427.500 5.567 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@H]1c1ccc(Cl)cc1 170236251 VTLNEZVSSHGKNY-OAQYLSRUSA-N 427.928 5.344 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2C)cc1Cl 170274065 LDRVYQKLLJDXIF-OAQYLSRUSA-N 437.879 5.029 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2c2cccc(C)c2C)o1 170302347 QRVVVZMEAUHUJF-DEOSSOPVSA-N 445.515 5.775 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2c2ccccc2C)o1 170305637 OOWNLVZUFOFIPA-QHCPKHFHSA-N 429.472 5.004 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2cc(F)ccc2F)o1 170306156 XZVDQUXWOXSXOS-IBGZPJMESA-N 429.806 5.303 30 10 IKEE COc1ccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2cc(Cl)ccc2C)cc1OC 170434448 DAVGWUIWNPQYKX-JOCHJYFZSA-N 443.927 5.181 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C)cc2C)cc1 170454403 QHMOFRXCJFPATH-DEOSSOPVSA-N 444.531 5.526 30 10 IKEE COc1cc(/C=C\C(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccc2)ccc1OCC#N 213674562 DPZVORPXVBAIDW-CBIWTFSBSA-N 446.934 5.364 30 10 IKEE C=CCn1c(C(=O)NCCc2c(C)[nH]c3ccc(F)cc23)cc2oc(Br)cc21 223723651 KTUIAECSUSZQEK-UHFFFAOYSA-N 444.304 5.084 30 10 IKEE O=C(Nc1nnc(N=Cc2ccc([N+](=O)[O-])s2)s1)c1ccc(-c2ccccc2)cc1 254573194 PCFRITRUBLQUIW-UHFFFAOYSA-N 435.490 5.178 30 10 IKEE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1/C(=N/NC(N)=S)CCC2 256018383 GFDDXCOEBSCDIG-CYZUSBSJSA-N 446.536 5.129 30 10 IKEE N#CC[C@@H](Nc1ccc(I)cc1Br)c1ccccc1 311632435 MNWHGRKWFRBDFD-CQSZACIVSA-N 427.083 5.121 30 10 IKEE CCOc1ccc([C@@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1OC 526522703 RVNRQRROJBQCQH-RUZDIDTESA-N 440.499 5.331 30 10 IKEE C=CCN(c1ccc(C(=O)OCC)cc1)S(=O)(=O)c1ccc(CCCCCC)cc1 586233069 YSHKYZWVVHZBRJ-UHFFFAOYSA-N 429.582 5.367 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2cc(Br)ccc2F)c1 698476661 NJFDYDRULNBFGI-SFHVURJKSA-N 435.293 5.603 30 10 IKEE CCCCCCCCCC[C@H](NC)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 702454679 ZDDXEPGGVTYWQJ-LOSJGSFVSA-N 447.708 6.131 30 10 IKEE N#C[C@H](C(=O)c1scc(Br)c1Br)c1c(F)cccc1Cl 705471139 XQWUIJYTEBMKFG-LURJTMIESA-N 437.515 5.556 30 10 IKEE C=CCC1([C@@H](NCCC)c2cc(Br)ccc2F)CN(C(=O)OC(C)(C)C)C1 722937989 NCVIFCPAWZKLQG-SFHVURJKSA-N 441.385 5.442 30 10 IKEE C=C1CCC(C[C@@H](N)CC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)CC1 724554126 TXBNGTNXCZVXJK-XMMPIXPASA-N 441.660 5.400 30 10 IKEE CC(C)Cc1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2cccc(O)c2)cc1 917612080 FTGAPWSHFYMVOA-UHFFFAOYSA-O 430.553 5.073 30 10 IKEE COc1cccc(COc2ccc(Cl)cc2N=Cc2cc(Br)ccc2O)c1 1083863574 YIZNPXBBLUGSGB-UHFFFAOYSA-N 446.728 6.146 30 10 IKEE O=C1C(=NNc2ccc(Br)cc2)c2ccccc2N1C/C=C/c1ccccc1 1083891137 ISWZINMHQBIZFB-NNPAEYOLSA-N 432.321 5.325 30 10 IKEE CCC(=NNc1nc(SCC(=O)Nc2cc(Cl)ccc2Cl)n[nH]1)c1ccccc1 1083928586 DJSZLLPAGFHPFS-UHFFFAOYSA-N 449.367 5.069 30 10 IKEE COC(=O)c1ccccc1N=Cc1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1 1083991826 UXMAAKCONUTLBN-UHFFFAOYSA-N 449.915 6.311 30 10 IKEE Cc1nn(Cc2ccccc2Cl)c(C)c1C=NNc1c(F)c(F)c(F)c(F)c1F 1084043649 URLSHABIVZKPHN-UHFFFAOYSA-N 428.792 5.343 30 10 IKEE Cc1cccc(CSc2n[nH]c(NN=Cc3ccccc3OCc3ccccc3)n2)c1 1084061296 WOJXKCLIKYVFMV-UHFFFAOYSA-N 429.549 5.430 30 10 IKEE O=[N+]([O-])c1ccc(Oc2ccccc2C=NNc2nc3ccccc3s2)c([N+](=O)[O-])c1 1084242444 QQMMJHDLHZUUFH-UHFFFAOYSA-N 435.421 5.351 30 10 IKEE C=CCc1cc(/C=C2/S/C(=N/CC)N(CC)C2=O)cc(OC)c1OCc1ccccc1 1084413610 GNFNUEVPKUBEOA-SFFUPWIKSA-N 436.577 5.315 30 10 IKEE C[C@H]1C[C@@H](C)CN(/C(=N/[C@H]2CCCC[C@@H]2N)Nc2ccc(OCc3ccccc3)cc2)C1 1088664894 LYFUYOXLCDZITP-PJTSNVSCSA-N 434.628 5.281 30 10 IKEE CC(C)=CC(=O)NC1=CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4CC[C@@H]([C@H](C)N(C)C)[C@@]4(C)CC[C@H]32)C1=O 1615811132 FPBGDMGTAHIUMI-RVSOIGEASA-N 440.672 5.351 30 10 IKEE O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=Nc2ccccn2)N1c1ccccc1 1772731029 HABIZVFLVFAIQA-SCORJZKRSA-N 426.328 6.197 30 10 IKEE Cc1nnc(N=C2S/C(=C/c3cccc4ccccc34)C(=O)N2c2ccccc2)s1 1772736643 IRJNAGJHQYHJKM-ZOAXWHFDSA-N 428.542 5.808 30 10 IKEE O=C1/C(=C/C=C/c2ccccc2)SC(=NN=Cc2ccc(F)cc2)N1Cc1ccco1 1772758208 QAVUPNUAQBBVTH-PXQJJVEESA-N 431.492 5.482 30 10 IKEE CCCCOc1ccc(C=NNc2nnc3c4ccccc4n(CCCC)c3n2)cc1OC 1772764820 FQISCGNONWIMAH-UHFFFAOYSA-N 446.555 5.413 30 10 IKEE C=C1CC[C@@]2(C)CC[C@@]3(C)[C@H](CC[C@H]4[C@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@H]2[C@H]1C 1857789205 XWMMEBCFHUKHEX-LIWUMPQWSA-N 426.729 8.025 30 10 IKEE C=CCNC(=O)Oc1cccc2c(NC(=O)c3cccc(Br)c3)cccc12 1858935808 WHSQCVVIASATNX-UHFFFAOYSA-N 425.282 5.129 30 10 IKEE Cc1cccc2c(C(=O)Nc3c(C#N)cnn3-c3ccc4ccccc4n3)cc(C(C)C)nc12 1859649428 NFLFKUFEGZZDNU-UHFFFAOYSA-N 446.514 5.525 30 10 IKEE CCCCCCCCNC(=O)[C@@H](NC(=O)c1c(C)ccc2ccccc12)c1ccccc1 1860986653 NSCIWIZYJQSULK-SANMLTNESA-N 430.592 6.096 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2[C@H](C)CC)c1 1862383505 LIJQJICDQHIIDM-ZUOKHONESA-N 448.346 5.769 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(F)cc1 1862413734 KAOXXILGJIMLOZ-PEBXRYMYSA-N 437.417 5.443 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(C)cc1 1862441157 APMRIGCJWQIIMF-JTHBVZDNSA-N 439.983 6.586 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1 1862477410 LYVNMYXCTNTZTP-RUZDIDTESA-N 440.543 5.148 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862477535 MQDJMRHQTKLRFG-DEOSSOPVSA-N 440.474 5.394 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccccc2Cl)c1 1862491012 JORLYUWLLDGOFH-DEOSSOPVSA-N 449.978 6.426 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccc3cc[nH]c3c2)c1 1862491253 ONECBWOUXOXQLL-XMMPIXPASA-N 446.547 5.178 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2cccc(OC)c2)cc1 1862530099 NEQPMZBILBNUAX-VWLOTQADSA-N 441.527 5.079 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccccc1Cl 1862561320 SOALXFIWINFCNX-JOCHJYFZSA-N 440.971 5.861 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2cccc(F)c2)cc1 1862591373 XIQDCNGYHPOGFK-VOIUYBSRSA-N 445.490 5.433 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@@H]1c1ccccc1Cl)c1cccc(O)c1 1862596499 URQVUCDIQNFIQO-JOCHJYFZSA-N 439.939 5.737 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCc3cnc[nH]3)[C@H]2c2cccc(Cl)c2)cc1 1862661765 RXFVATCUQAEPQR-QFIPXVFZSA-N 449.938 5.008 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@H]1c1cccc(F)c1)c1ccc(F)cc1 1862674247 UHFSTZWNCSSXPD-QHCPKHFHSA-N 433.454 5.176 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1Cl 1862675781 UAUZERAHOCTQTK-NYHFZMIOSA-N 435.882 5.819 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc(Cl)cc2Cl)c1 1862706500 YBAFOQCCZCGZGO-FQEVSTJZSA-N 448.346 5.626 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cccc(F)c1)c1ccc2ccccc2c1 1862715003 JSDSNUWVIYVICZ-XMMPIXPASA-N 429.491 5.890 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccccc1Cl 1862725884 UGGNWSUTRXYSPR-HSZRJFAPSA-N 429.903 5.771 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1Cl 1862760218 JDHKRLYSPISAME-SFHVURJKSA-N 449.290 5.280 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cccc4c3CCCC4)C2=O)c1 1863036401 LZBRRQFPZPIAKL-UHFFFAOYSA-N 447.538 5.451 30 10 IKEE N#Cc1ccccc1NC1=C(c2ccc(Cl)cc2)C(=O)N(C2CCCCCCC2)C1=O 1863179865 JQPJDCISCDKPHZ-UHFFFAOYSA-N 433.939 5.517 30 10 IKEE C[C@H]1CN(c2cc(Nc3ccc(C#N)cc3)nc(C(C)(C)C)n2)C[C@H](C)N1c1ccccc1 1868356183 UQBQAEZKMSHGKA-PMACEKPBSA-N 440.595 5.493 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(C)cc2)c(CN(C)Cc2ccccc2)cc1=O 1870416989 YINCPBQNIQGBAK-UHFFFAOYSA-N 446.635 6.186 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc(C)c2)cn1CCc1ccc(F)cc1 1870620756 KSBRBRWWZHCNAW-UHFFFAOYSA-N 446.566 5.292 30 10 IKEE CCCCCCCOc1cn(CCC(C)C)c(CNc2ccc3c(c2)OCO3)cc1=O 1870833719 QENXUKWHDFECNM-UHFFFAOYSA-N 428.573 5.584 30 10 IKEE COc1ccc([C@@H](C)N2COc3cc(C)c4c(c3C2)O/C(=C\c2ccc(C)cc2)C4=O)cc1 1871354111 HLIQNHAJBBNYTC-LPANUZLBSA-N 441.527 5.841 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2C1=O 1871372745 IMQGNGNXSIZVQP-ZDLGFXPLSA-N 441.848 5.454 30 10 IKEE CCCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccn2)C3=O)cc1 1871378314 GCTHAHKWSXTOQY-AMWSURNQSA-N 427.456 5.105 30 10 IKEE CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccccc1)C2=O 1871403397 XQTCEAIGVHGVCT-GJQHCVRFSA-N 443.499 5.416 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(O[C@H](C)C(=O)Nc4c(C)cccc4C)c3C)C2=O)o1 1871430978 OPSBKLHXEHUIBT-QLTNSANVSA-N 431.488 5.535 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(C)cc2)[nH]c(N2CCc3ccccc3C2)n1 1871476270 IPOHIRXMYHWICI-UHFFFAOYSA-N 444.627 5.681 30 10 IKEE C=CCN(CC=C)c1nc(=NCCc2ccccc2)nc(Nc2ccc(C(C)(C)C)cc2)[nH]1 1871552662 NBKOTTJYFBWYMH-UHFFFAOYSA-N 442.611 5.168 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)c(C)c1)C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1871886590 ZNVRKAYCQVRWPF-JOCHJYFZSA-N 449.016 5.187 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cccc(Cl)c1C)C(C)C)S(=O)(=O)c1ccc(C)cc1 1872422692 IIKJMWGSRZNNMP-JOCHJYFZSA-N 449.016 5.187 30 10 IKEE COc1ccc(C)cc1-c1csc([C@H](C#N)C(=O)COc2ccc(Cl)c(C)c2)n1 1872770636 ALKOJYWYBJIBBX-QGZVFWFLSA-N 426.925 5.344 30 10 IKEE CC(=O)Nc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3cccc4ccccc34)cs2)cc1 1872774963 HGNZAEIQTIETJF-JOCHJYFZSA-N 425.513 5.341 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)C34CC5CC(CC(C5)C3)C4)n2)c2ccccc12 1872788578 LQJSNFBBKQMWEL-DHOLJGENSA-N 442.584 6.365 30 10 IKEE COC(=O)c1ccc(NC(=O)c2cccc(CSc3nc(C)c(C)c(C)c3C#N)c2)cc1 1872893484 XRZOAHDLSHJQML-UHFFFAOYSA-N 445.544 5.210 30 10 IKEE CC(=O)Nc1ccc(NC(=O)c2ccc(CSc3nc(C)c(C)c(C)c3C#N)cc2)cc1 1872895477 WFUATWMKPLJKGH-UHFFFAOYSA-N 444.560 5.382 30 10 IKEE CCOc1cc(/C=N/Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Cl)cc1 1873498747 GUHKONSSJMJQCI-LGJNPRDNSA-N 449.765 7.071 30 10 IKEE CCC(CC)c1nnc(S)n1/N=C/c1ccc(OC)c(OCc2cccc(Cl)c2)c1 1873502164 CRVSIBXFUBWUKN-ZMOGYAJESA-N 444.988 5.594 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1cn(C)c2ccccc12)NC(=O)OC(C)(C)C 1873886070 FZSABNUCQMVALI-NRFANRHFSA-N 429.605 5.091 30 10 IKEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)oc2c1 1873942015 LFBAMHFFURSHDT-UHFFFAOYSA-N 445.437 5.646 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccc(C(C)C)cc1 1874230903 ITLJDGQNTOUZHD-AFUMVMLFSA-N 443.016 6.327 30 10 IKEE CCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1ccccc1OC(C)C 1874246265 VTCQLLOYPVMBRC-KOEQRZSOSA-N 438.597 5.380 30 10 IKEE CCCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccccc1[N+](=O)[O-] 1874256393 YTCWZGMLNKNRDC-YDZHTSKRSA-N 439.541 5.075 30 10 IKEE C=C(C)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1cccc2ccccc12 1874273702 JXQMVRAHWNGJSF-MOYYISEASA-N 447.608 5.096 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2/N=C/c2ccc(C(=O)O)cc2)CC1 1874287797 XRDDJVUEWDQQBG-LFVJCYFKSA-N 428.602 5.825 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874318030 XORSUVGFMTYJDD-WGOQTCKBSA-N 448.514 5.693 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2cccnc2)c(C)c1 1874327693 WVAPCHKTSMWPRN-CVKSISIWSA-N 429.549 5.043 30 10 IKEE C=CCSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1cc(Cl)ccc1O 1874331629 WJTWFBIGKVQLAC-ZVHZXABRSA-N 426.973 5.199 30 10 IKEE Cc1ccccc1CSc1nnc(CCOc2ccccc2)n1/N=C/c1ccccc1F 1874345158 ZKJBPLRUHZCABR-WPWMEQJKSA-N 446.551 5.522 30 10 IKEE Cc1ccc(CSc2nnc(CCc3cccs3)n2/N=C/c2ccc(F)cc2)cc1 1874369368 XMMDJIISALBDLK-MFKUBSTISA-N 436.581 5.747 30 10 IKEE C(=N/n1c(CCc2ccccc2)nnc1SCc1cccc2ccccc12)\c1ccncc1 1874404513 BLCNKCSVTYJDTO-VUTHCHCSSA-N 449.583 5.786 30 10 IKEE Cc1ccc(CSc2nnc(Cc3cccs3)n2/N=C/c2ccc([N+](=O)[O-])cc2)cc1 1874411066 GVQUPNPJZAMDRX-OEAKJJBVSA-N 449.561 5.322 30 10 IKEE C=CCSc1nnc(Cc2cccs2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874413921 SBMNRXQNHDYGOD-KOEQRZSOSA-N 446.601 5.670 30 10 IKEE COc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccccc2Cl)cc1 1874438756 QZOCIZMEYZZOFD-ZVHZXABRSA-N 428.989 5.703 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3ccccc3C)nnc2[C@H]2CCCO2)cc1 1874443610 GWUGLKZIOZZUKD-NJRDNMGOSA-N 436.581 5.401 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@H]3CCCO3)n2/N=C/c2ccc(C(C)C)cc2)c1 1874446413 YSCSIHOTOZLCRD-OJLHXUGZSA-N 434.609 6.044 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1/N=C/c1ccccc1C 1874477802 IHJWQMDDIRREFB-MFKUBSTISA-N 435.597 5.159 30 10 IKEE C=C(C)CSc1nnc(C2CCC2)n1/N=C/c1ccc(OCCCCC)c(OCC)c1 1874495367 HPJYBQFGAWFLIA-PCLIKHOPSA-N 442.629 6.064 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccc(CC)cc2)n1/N=C/c1ccc(C(C)C)cc1 1874503817 BDVORAGBCPWLGP-WGOQTCKBSA-N 449.624 5.529 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1ccc(Cl)c(Cl)c1 1874507721 RADXOJWHHBIYOT-WYMPLXKRSA-N 433.408 6.329 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/n2c(S)nnc2CCOC)cc1OCC 1874559943 YOXNHOZXSJFQSN-HKOYGPOVSA-N 448.633 5.166 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C(C)C)cc2)c1OCC(=O)NCc1ccco1 1874583691 APVHUNLSLWYIDZ-BUHFOSPRSA-N 433.504 5.003 30 10 IKEE C=C(C)COc1c(Cl)cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1OCC 1874601425 KLCZMMNBYUSUIZ-XNTDXEJSSA-N 432.947 7.257 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)NCc3ccccc3)c(Cl)c2)cc1C 1874606743 DTNKQLFVANROFJ-DHZHZOJOSA-N 449.934 5.248 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OCC(=O)Nc1ccccc1F 1874611539 NIYCVVAVQKYARD-WYMLVPIESA-N 449.478 5.147 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OCc1cccc2ccccc12 1874613656 GMEAVOUHTIKMPD-ISLYRVAYSA-N 434.535 7.052 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(OC)c1OCc1ccccc1C 1874621870 YXKOYRYEUWKKBU-ZRDIBKRKSA-N 442.511 5.936 30 10 IKEE Cc1cccc(C)c1OCC(=O)Oc1cccc(/C=C/C(=O)c2ccc3ccccc3c2)c1 1874693424 FFJWEVKUHSRHNL-DTQAZKPQSA-N 436.507 6.337 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2cccc(/C=C/C(=O)c3cc(C)ccc3C)c2)cc1 1874703151 BDMWUOKEGMTCAW-SAPNQHFASA-N 442.555 6.527 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)CC3CCCCC3)c2)cc1C 1874718360 VRXRXZQZATZFBZ-ZRDIBKRKSA-N 436.548 6.093 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)COCc3ccccc3)c(Cl)c2)c1 1875102604 YVTGRFUOFMUOMZ-ZRDIBKRKSA-N 436.891 5.367 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(C(F)(F)F)cc2)cc1)c1cccc(Cl)c1 1875123565 SJAKNGBTKHABCA-AWNIVKPZSA-N 430.809 6.474 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)COc1cccc(C)c1C 1875128661 NVYUQROANVYVJA-FYWRMAATSA-N 430.500 5.583 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)[C@H]3CCCO3)c(OCC)c2)cc1 1875130547 VNANCKZTCKTYGT-JYNAJPCDSA-N 444.911 5.118 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3OC)cc2[N+](=O)[O-])cc1 1875143202 OCMFNZBZMMXXCC-VZUCSPMQSA-N 447.443 5.036 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cc(Cl)c(OC(=O)CC(C)(C)C)c(OC)c2)c1 1875144171 IEZOHPJMSFCTCI-VQHVLOKHSA-N 446.927 5.604 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)c3cccc(C)c3)c([N+](=O)[O-])c2)c1 1875145009 ZZZYSSZMPQOREO-JXMROGBWSA-N 447.443 5.036 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)ccc1OC(=O)CC1CCCCC1 1875152335 SZWDGMYFDKIWMF-FMIVXFBMSA-N 440.511 6.005 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)cc3)c([N+](=O)[O-])c2)cc1F 1875153273 YONGMXIZFBOAJU-BJMVGYQFSA-N 435.407 5.166 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(Cl)c1OC(=O)c1cccnc1 1875153488 JDVFYYSYKPLRPX-VAWYXSNFSA-N 443.886 6.012 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2ccc(F)cc2)cc1 1875181935 DHQTYTQYPYZOPI-KPKJPENVSA-N 438.882 5.840 30 10 IKEE C=CCN1CC[C@H](NCC)[C@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875650108 FQANPBULRGYVCO-LITSAYRRSA-N 442.603 5.756 30 10 IKEE C=C(c1ccccc1)[C@@H](NC)c1ccc(I)c(Br)c1 1888681944 JPWDWXAQMVNWOW-MRXNPFEDSA-N 428.111 5.028 30 10 IKEE N#Cc1ccnc(OC[C@H]2CCCN(C(=O)[C@@H](c3ccccc3)c3ccc(Cl)cc3)C2)c1 1891449201 GQQWKIGKENMSAA-CPJSRVTESA-N 445.950 5.056 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@H]1CC(C)(C)CN1C(=O)OC(C)(C)C)NCCC 1922061251 XSOKNWGEICOSAO-GOTSBHOMSA-N 430.633 5.553 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C 1922079321 DWRXETJRQKPNLH-XZOQPEGZSA-N 432.649 5.799 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21 1922107257 KLTPVVDYUDFGLQ-RPBOFIJWSA-N 436.596 5.272 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)CCCC1(C)C 1922115499 HXJBQFPJOFHXAI-NVQXNPDNSA-N 430.633 5.601 30 10 IKEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1 1945821405 JPTFFHWQMGGFFQ-QUCCMNQESA-N 431.577 5.507 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)CC12CCCC2 1949570184 CNECVPPRFPJUOF-XMMPIXPASA-N 433.593 5.382 30 10 IKEE C=CC1(C[C@H](O)CC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)CCC1 2002633289 MNXUOKFRTMDVDM-QFIPXVFZSA-N 428.617 5.043 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCC23CN(C(=O)OC(C)(C)C)C3)cc1 2009509236 IWMNORQNGBIOMF-DEOSSOPVSA-N 427.545 5.030 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@H]1c2ccsc2CCN1C(=O)OC(C)(C)C 2018277885 JEUDUNFFCKONKW-DHIUTWEWSA-N 442.625 5.334 30 10 IKEE CC(C)(C)OC(=O)N(CCC(C)(C)Oc1c(N)ccc(F)c1C#N)Cc1ccccc1 2021629972 UZFBKBNHADVTTI-UHFFFAOYSA-N 427.520 5.264 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCN(C(=O)OC(C)(C)C)C12CCCC2 2024623478 GAFHZIWVLJMXIF-XMMPIXPASA-N 435.609 5.486 30 10 IKEE COC(=O)c1ccc(COc2ccc(C=C3CCc4ccccc4C3=O)cc2OC)cc1 2040454880 IRKZINSSXVGAGD-UHFFFAOYSA-N 428.484 5.273 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCC[C@@H]2OCc2ccccc2)c1 2043763169 QEVNBZLLXDYVHO-OZXSUGGESA-N 436.552 5.858 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CCN(C(=O)OC(C)(C)C)C12CCCC2 2058056451 GKQGNPSBJWFMMD-ZEQRLZLVSA-N 442.644 5.697 30 10 IKEE C#CCCCC[C@H](N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071361956 YGTICSTVWHTYGE-LSYYVWMOSA-N 429.560 5.399 30 10 IKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 2074137380 ADUUIEZKSDBQBP-KBMIEXCESA-N 449.636 6.018 30 10 IKEE CC(=O)Oc1ccc([C@@H](C2CCC2)n2nc(C3CCC3)c(C=NO)c2Br)cc1 2080080696 YDIWYTZPUCNRFS-HXUWFJFHSA-N 446.345 5.036 30 10 IKEE CCOc1ccc([C@@H](C2CC2)n2nc(C(C)(C)C)c(C#N)c2I)cc1 2080103686 MGHXHLXMCICVEH-QGZVFWFLSA-N 449.336 5.055 30 10 IKEE C=CCC[C@@H](C)[C@@H](NCCC)c1cc(I)ccc1Br 2102099719 FXSLTLJZZSUCEJ-MLGOLLRUSA-N 436.175 5.697 30 10 IKEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(Cl)ccc(Br)c1F 2122144255 ZNYJMQNKGMCKOB-RHSMWYFYSA-N 447.776 5.199 30 10 IKEE C=CC[C@H]1CCCC[C@H]1NCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134722094 MLDPFRZPXDPTEL-WUFINQPMSA-N 441.615 7.069 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CNC2(CCCCC2)C1 2155300210 NUKREAHOYUIZBH-NRFANRHFSA-N 434.378 5.149 30 10 IKEE CC(C)(C)OC(=O)N1CCCc2ccc(Nc3ccc(Br)cc3C#N)cc21 2162422343 JOODOWGSKORTOF-UHFFFAOYSA-N 428.330 5.752 30 10 IKEE CCC1CCC([C@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)CC1 2168393322 DJHLHYYREAGBOK-XWTGJVNOSA-N 435.406 6.689 30 10 IKEE CCCN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(C#N)cc1Br 2174809639 CBWLEXFXJQDJEC-UHFFFAOYSA-N 436.394 5.184 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCCN1c1cccc(Br)c1C#N 2174813232 TXIFFBRGWGFUMF-MOPGFXCFSA-N 434.378 5.079 30 10 IKEE CCCCCCCCCCCC[S@](=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2195305489 YPTGZNOMCVLHJT-JRPXNJEYSA-N 439.618 5.036 30 10 IKEE C=C(c1ccccc1)[C@H](NCC)c1cc(Br)ccc1I 2197139627 LCBCSURONURTAH-KRWDZBQOSA-N 442.138 5.418 30 10 IKEE C=C1CCC(C[C@@H](NCC)c2ccc(Br)cc2I)CC1 2207265359 QAMWZEXWXUOTLR-QGZVFWFLSA-N 448.186 5.841 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(Nc2ccc(Br)cc2)C[C@H]2CCCC[C@H]21 2279701345 FHSXEDLDIKOEML-FPDPHYFHSA-N 434.378 5.323 30 10 IKEE C=CCCC1([C@H](NCC)c2ccc(Br)cc2F)CN(C(=O)OC(C)(C)C)C1 2281056779 VEFLBVQZIQFZKP-GOSISDBHSA-N 441.385 5.442 30 10 IKEE Cc1ccc(N=C2NC(=O)C(=Cc3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)S2)cc1 2294009805 BZLMOUWVCAOJSG-UHFFFAOYSA-N 432.505 5.202 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)C[C@H](C)CCNC(=O)OC(C)(C)C 2296296223 LPXYIGYLDZCUID-XLIONFOSSA-N 437.422 5.110 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(O)c3CN3C[C@@H](C)C[C@H](C)C3)C2=O)c2ccccc21 2296603259 NZJVEMLDYNICJQ-ROUUACIJSA-N 430.548 5.461 30 10 IKEE CCCCCCCCCCCn1c(CNC(=O)C=Cc2ccccc2)nc2ccccc21 2314867184 YGMHPCGBLMRIIP-UHFFFAOYSA-N 431.624 6.897 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@H](C#N)C12CC(CCN1C(=O)OC(C)(C)C)C2 2318806240 ZTZCBLCUBVXRHS-HTQWRTEZSA-N 445.535 5.249 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CC2)cc1 2320868399 NLMIGFCRHYJLEH-UHFFFAOYSA-N 428.561 5.882 30 10 IKEE CCc1nnc(SCC(=O)Nc2ccccc2C)n1N=Cc1ccc(Cl)c(Cl)c1 2320974072 YLDRGTCWKYMFQD-UHFFFAOYSA-N 448.379 5.069 30 10 IKEE Cc1cccc(CSc2nncn2N=Cc2ccc(OCc3ccc(Cl)cc3)cc2)c1 2321251000 PZALKJTYZQFSQE-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE CCCCC[C@H](CC)N1COc2cc(C)c3c(c2C1)OC(=Cc1ccccc1Cl)C3=O 2322072578 ACMWPCPRTSZINE-IBGZPJMESA-N 439.983 6.775 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc4c3CN(CCc3ccc(C)cc3)CO4)C2=O)cc1 2322218119 SGPLMIXEKLJPGZ-UHFFFAOYSA-N 441.527 5.405 30 10 IKEE Sc1nnc(Cc2ccc(Br)cc2)n1N=Cc1c(Cl)cccc1Cl 2322238824 YONLSIDZPQKJLY-UHFFFAOYSA-N 442.169 5.109 30 10 IKEE COc1ccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3ccccc3Cl)C4)C2=O)cc1 2322305711 PGALTNMSEAQYEJ-UHFFFAOYSA-N 447.918 5.625 30 10 IKEE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(=Cc1ccccc1OC(F)F)C2=O 2322691838 GVMHLHHOLBYYPB-UHFFFAOYSA-N 438.382 5.132 30 10 IKEE CCCOc1c(Br)cc(Br)cc1C=CC(=O)c1ccc(F)cc1 2322748202 XOUQSCDCVPEJQF-UHFFFAOYSA-N 442.122 6.036 30 10 IKEE Cc1c(OC(=O)Cc2cccs2)ccc2c1OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2322868656 SISACJDIBNYRFG-UHFFFAOYSA-N 432.541 6.118 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2ccccc2OCc2ccccc2Cl)cc1Cl 2322880864 HVAAPZDLCKKKSB-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)c4cccc(NC(C)=O)c4)cc(C)c3C2=O)cc1 2322969214 TXDGMLHUOTWPKT-UHFFFAOYSA-N 441.483 5.351 30 10 IKEE COc1cc(C=NNc2ccc(C)c(Cl)c2)cc([N+](=O)[O-])c1OCc1ccccc1 2322974137 CQYKEKQIQKWRBB-UHFFFAOYSA-N 425.872 5.590 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OCc1ccc([N+](=O)[O-])cc1 2323203658 RLIDTJAYKKLNPF-UHFFFAOYSA-N 431.488 6.202 30 10 IKEE CCCCCCCOc1ccccc1C=NNS(=O)(=O)c1ccc(Cl)c(Cl)c1 2323353501 KHDQWEAGZVNGOI-UHFFFAOYSA-N 443.396 5.655 30 10 IKEE Cc1cccc(COc2ccc(C=CC(=O)c3ccc4c(c3)CCCC4)cc2[N+](=O)[O-])c1 2323423581 JWZCISWRQGQMSK-UHFFFAOYSA-N 427.500 6.257 30 10 IKEE Cc1cc(OC(=O)c2cc(Cl)ccc2Cl)cc2c1C(=O)C(=Cc1ccncc1)O2 2323581423 DFFFMBSIAHKVJQ-UHFFFAOYSA-N 426.255 5.532 30 10 IKEE CCOc1ccc(C(=O)C=C2SC(=Nc3ccc(-c4ccccc4)cc3)NC2=O)cc1 2323627512 IHDYWZIIDYTUGR-UHFFFAOYSA-N 428.513 5.370 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=CC=Cc2ccccc2)C3=O)c1 2323805404 ABXQPLWIFUNDSN-UHFFFAOYSA-N 426.468 5.785 30 10 IKEE CCCOc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2C)C3=O)cc1 2323831347 YWHJTCOOUDUSHO-UHFFFAOYSA-N 428.484 5.928 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2C)C3=O)c1 2323896083 LCUVZDMLGALMGH-UHFFFAOYSA-N 442.467 5.454 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2Cl)c1 2323943809 SLOOEGSHSPRCNA-UHFFFAOYSA-N 447.962 6.487 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])cc1 2324186224 OHKVWEFPNVWEMW-UHFFFAOYSA-N 448.450 5.210 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(F)cc3)cc2OC)cc1 2324197298 IGVXITSDBRAPKB-UHFFFAOYSA-N 433.479 5.310 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OCc1cccc(F)c1 2324355941 HCEVCZPVMPJRPF-UHFFFAOYSA-N 432.535 6.933 30 10 IKEE CCc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(Cl)c(Cl)c3)n2)cc1 2324378654 UGAZMLXVRWASEU-QGZVFWFLSA-N 427.356 6.569 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccccc4Cl)c3C)C2=O)c1 2324397398 MVVQGTYDTCMTNS-KRWDZBQOSA-N 447.918 5.979 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OCCCCOc4ccccc4C)c3C)C2=O)c1 2324598939 KWWDJMWGUJAFOU-UHFFFAOYSA-N 428.528 6.466 30 10 IKEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)C(=Cc3ccccc3)c3ccccc3)n2)cc1C 2324756656 ZRADSQRSEMASFD-VWLOTQADSA-N 434.564 6.844 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3cccc(Cl)c3)n2)cc1Cl 2324807216 NUVPEPYHIKJNRK-MRXNPFEDSA-N 429.328 6.015 30 10 IKEE COc1ccc(C)cc1NC(=O)COc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O 2325118570 NZSUYAWBOXJNBO-UHFFFAOYSA-N 441.483 5.194 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OCc4ccc(C(=O)OC(C)C)o4)c3C)C2=O)c1 2325387908 VGECHZPXUORJAA-UHFFFAOYSA-N 448.471 5.357 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1cccc(Cl)c1 2325532266 YPIRQJALZMIBSH-UHFFFAOYSA-N 434.996 6.602 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccccc1[N+](=O)[O-] 2325535973 HKNJZFOAHLKIKX-UHFFFAOYSA-N 447.923 5.496 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc(CC)cc1 2325571736 YBTNQUOMNBWVGC-UHFFFAOYSA-N 433.408 6.274 30 10 IKEE COc1cccc(CCC(=O)Oc2cccc(C=CC(=O)c3cc(C)ccc3OC)c2)c1 2325743555 FGXUOHYFGOIGKT-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3ccccc3)c2)c2ccccc12 2325777033 FLJBRXXMIOXBRP-UHFFFAOYSA-N 438.479 5.729 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)ccc2OC)cc1OC(=O)c1cccc(C)c1 2325779730 BXXOALOOYUOCKP-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1cc(Cl)c(O)c(Cl)c1 2326600125 MVAXYQBLRFPVCI-UHFFFAOYSA-N 449.407 6.034 30 10 IKEE C=CCSc1nnc(COc2ccccc2OCC)n1N=Cc1cccc(Cl)c1 2326846264 SEKMMDCRRNBAES-UHFFFAOYSA-N 428.945 5.070 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1ccc(N(C)C)cc1 2327186974 RPZRVEMPYAKCMX-UHFFFAOYSA-N 449.624 5.215 30 10 IKEE C=CCSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(OC(C)C)c(OC)c1 2329590614 MNPHHPYLBNQSKR-UHFFFAOYSA-N 442.972 5.555 30 10 IKEE Cc1cccc(CSc2nnc([C@@H](C)c3ccccc3)n2N=Cc2ccccc2F)c1 2330075705 JQLQXVVWZXZXLE-IBGZPJMESA-N 430.552 6.052 30 10 IKEE Cc1ccc(CSc2nnc(CC3CCCCC3)n2N=Cc2ccccc2C(=O)O)cc1 2330233051 NBPYBFZYWZVUAG-UHFFFAOYSA-N 448.592 5.582 30 10 IKEE Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2)n1N=Cc1ccccc1 2330665736 BGSBFDZKLCEGNC-UHFFFAOYSA-N 441.560 5.175 30 10 IKEE Cc1ccccc1CSc1nnc(CC(C)(C)C)n1N=Cc1cc(Cl)ccc1O 2330810449 URQFYFPDHZTDNY-UHFFFAOYSA-N 428.989 5.709 30 10 IKEE Cc1ccc(CSc2nnc([C@@H]3CCCO3)n2N=Cc2c(F)cccc2Cl)cc1 2330888695 KSUBNCMBTMCWIB-IBGZPJMESA-N 430.936 5.405 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(OC)c1OC(=O)c1ccc(C)cc1 2330911079 TVECCOJMNITPGK-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE Cc1cccc(CSc2nnc([C@H]3CCCO3)n2N=Cc2cccc3ccccc23)c1 2330920460 UKYAIXHZVMDJHX-HSZRJFAPSA-N 428.561 5.766 30 10 IKEE Fc1cccc(CSc2nnc(C3CCCC3)n2N=Cc2c(Cl)cccc2Cl)c1 2331065931 XQMQXAFEIYENJA-UHFFFAOYSA-N 449.382 6.556 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3ccc(C)cc3)nnc2C(F)(F)F)c1 2331108895 LCNUVDSAIPBTLZ-UHFFFAOYSA-N 434.487 5.569 30 10 IKEE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2Cl)cc1 2331165888 PGLOYFADCDCCNZ-LJQANCHMSA-N 448.946 6.732 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)Cc1ccc(C)cc1 2331259932 VHADVAUDVPNYEV-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE CCCCC(=O)Oc1c(Br)cc(C=CC(=O)c2cc(C)ccc2C)cc1OC 2331326255 PUUQARKQFKEBCZ-UHFFFAOYSA-N 445.353 6.066 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CCCC)nnc1SCc1cc(C)ccc1C 2331337881 HYBYTLDYLNMFJR-UHFFFAOYSA-N 434.609 5.977 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)c2sccc2C)cc1 2331545764 ZXVXIENRPCUITJ-UHFFFAOYSA-N 434.557 6.478 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc(Cl)c1OC(=O)C1CCCC1 2331659162 JMOAVKYXHRQXTO-UHFFFAOYSA-N 442.939 5.966 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1ccc(OC(C)=O)cc1 2331715225 USYOXCRHPLVRPB-UHFFFAOYSA-N 444.483 5.353 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OC(=O)C(C)(C)C)c([N+](=O)[O-])c1 2331747118 QYCUPPIDDWQREU-UHFFFAOYSA-N 431.872 5.413 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3c(C)cc(C)cc3C)cc2OC)c1 2331780352 OSQIOKRXBYUSHO-UHFFFAOYSA-N 444.527 6.134 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2ccc(OC(=O)c3ccccn3)cc2)cc1Cl 2331804777 DUMFOMKFUXNBRV-UHFFFAOYSA-N 428.271 5.512 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)CC(C)C)c(Br)c2)cc1C 2331847505 ILVJARJMXMVYIH-UHFFFAOYSA-N 445.353 5.922 30 10 IKEE CC(C)[C@](C)(COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339574646 KVYIBZOHRDMOFJ-XXFRDUSWSA-N 446.397 5.044 30 10 IKEE CCCCN(CCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2339595877 LXLYTXYCZWAVRE-UHFFFAOYSA-N 446.397 5.142 30 10 IKEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CSCc1sc(Cl)cc1C#CCCO 2372408780 QRYZZMXGNQNPED-GOEBONIOSA-N 430.035 5.014 30 10 IKEE Cc1cccc(NC(=O)N(Cc2ccccc2)CC2CCCC2)c1B1OC(C)(C)C(C)(C)O1 2380899927 PPCHFKOWWSDFRH-UHFFFAOYSA-N 448.416 5.519 30 10 IKEE CC(C)Oc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(O)cc2)cc1 21220200 GTSVZGFFFFKFHC-NGOKVRLYSA-N 440.543 6.159 30 10 IKEE CCc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc1 21249754 OPOVNYYUSLIFOR-PPHZAIPVSA-N 428.963 6.882 30 10 IKEE C=CCN1C(=O)/C(=C\C(=O)N[C@H](Cc2ccccc2)c2ccccc2)Sc2ccccc21 23335631 ICRVXRARNJZVFP-UDXHRHDRSA-N 440.568 5.295 30 10 IKEE CCCN1C(=O)/C(=C\c2ccc(OC)c(Cl)c2)S/C1=N/c1ccc(OCC)cc1 33349378 DLGWNTCNKOEYDP-NFVLHAOASA-N 430.957 5.761 30 10 IKEE COc1ccc(/C(N)=N/c2sc(-c3ccc(OC)cc3)nc2-c2ccc(C)cc2)cc1 53994183 ZNXFWXZRMMYARW-UHFFFAOYSA-N 429.545 5.840 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)CSc2n[nH]c(N/N=C(C)\C=C\c3ccccc3)n2)cc1 59023130 MGHIRDILGNCZOX-CLLLLAQLSA-N 448.596 5.550 30 10 IKEE O=C1/C(=N/Nc2cc(Cl)ccc2Cl)c2ccccc2N1CCOc1ccccc1 59147254 RMDWNHLFMBCRKC-YYADALCUSA-N 426.303 5.235 30 10 IKEE C[C@H](Sc1n[nH]c(N/N=C/c2cccc(Cl)c2Cl)n1)c1nnc(C2CCC2)o1 59879241 JOGGXKZICWRIPO-BERGCFNWSA-N 438.344 5.061 30 10 IKEE CC(C)CN(CC(C)C)C[C@@H](O)Cn1cc(/C=C\C(=O)c2cccs2)c2ccccc21 96498778 QTMRIMFELBWHMJ-SSSWZJSRSA-N 438.637 5.574 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c(OC)ccc3ccccc13)N2 100367594 QKJBRMGKWPBSME-SAGWHXFDSA-N 441.615 8.024 30 10 IKEE CCCCCCCCCCCCCC(=O)Nc1ccccc1C(=O)N1CCC(C)CC1 100442034 DLJFQLZQNJBGIP-UHFFFAOYSA-N 428.661 7.198 30 10 IKEE CCCCCCCOc1cccc(NC(=S)NC(=O)c2ccc(Br)cc2)c1 100446968 KKZHINCFFZITCY-UHFFFAOYSA-N 449.414 5.925 30 10 IKEE Cc1ccc(C2=NN(C)C(=N)/C2=N/Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 101389070 SZTVFBRANHQPQW-XTZCWSSXSA-N 427.352 5.127 30 10 IKEE COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cn(C)c4ccccc24)C3=O)c1 103024836 ZPUAVDPMXCFVDC-CFRMEGHHSA-N 425.440 5.022 30 10 IKEE O=C1C(=O)N(c2nccs2)[C@H](c2ccc(Cl)cc2)/C1=C(/O)c1ccc(Cl)cc1 103221920 CEADUZPXBWGMOR-CFBLSMTOSA-N 431.300 5.076 30 10 IKEE CCN1C(=S)N[C@H](c2ccccc2OCc2ccccc2)C(C(=O)c2ccccc2)=C1C 169931915 FJYMUWJYFVZGHA-RUZDIDTESA-N 442.584 5.674 30 10 IKEE CCOc1c(Cl)cc([C@H]2NC(=S)N(CC)C3=C2C(=O)CCC3)c(OCC)c1Cl 169933165 SXKSOLNWDFHANN-QGZVFWFLSA-N 443.396 5.049 30 10 IKEE CCCOc1c(Cl)cc([C@H]2NC(=S)N(C)C(C)=C2C(=O)c2ccccc2)cc1Cl 169935552 WQNNKKMKXHRAHZ-LJQANCHMSA-N 449.403 5.800 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2cc(F)ccc2F)c1 169971873 MNRMWWWYQZAOGQ-IBGZPJMESA-N 440.471 5.129 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCC)cc1 169976031 CYPIJUXBVXDNSF-DEOSSOPVSA-N 447.531 5.990 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2cccs2)c1 169984315 CGEXJWQFSMJQSU-HXUWFJFHSA-N 439.920 5.501 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@@H]2c2ccncc2)ccc1F 170021106 KDYKFPUANRSAJQ-XMMPIXPASA-N 438.458 5.465 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1c[nH]c2ccccc12 170073871 NLHGLDNBTIAVKR-HSZRJFAPSA-N 442.446 5.099 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccccc2C)cc1 170089231 FUOALABMBOHRQT-XMMPIXPASA-N 427.500 5.485 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1cccc(C)c1 170141128 MAJANRKCOUSKBM-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2cccs2)c1 170160627 HXMMJFVWXHRQJX-HSZRJFAPSA-N 447.556 5.937 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccnc1 170189655 BJSIKUCWZCYFLT-XMMPIXPASA-N 436.467 5.026 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2ccccc2)c1 170227360 GMWAXGAXJFEUHJ-XMMPIXPASA-N 443.499 5.267 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(C(C)C)cc1 170244714 ATXRPVGUZFJMOH-OAQYLSRUSA-N 427.928 5.078 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)=C(O)C(=O)N1c1ccccc1 170272266 XYZZVHWIYLESHD-OSPHWJPCSA-N 425.484 5.101 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccc(C)o2)cc1C 170305679 ZFFZBAFPEKCUAD-HSZRJFAPSA-N 431.488 5.305 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2sccc2C)c(C)c1 170315392 KNLPXPJPDRCJEN-OAQYLSRUSA-N 433.529 5.465 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2cccc(OCC(C)C)c2)=C(O)C(=O)N1C1CCCC1 170319548 IVTIBNSGVOTZIJ-NRFANRHFSA-N 439.577 5.612 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2c[nH]c3ccccc23)cc1 170383484 PAZPGOTXNUCGQQ-DEOSSOPVSA-N 437.499 5.469 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(Cl)cc3)[C@H]2c2ccc(O)cc2)cc1 170413213 HJLHOFWZACQORM-QHCPKHFHSA-N 447.918 5.175 30 10 IKEE CCOC(=N/C(=N\S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccc(C)cc1 254828680 TZCUUCVASQVFQS-FLTLSYIHSA-N 440.952 5.267 30 10 IKEE Cc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2c(C)n(C)c3ccccc23)cc1 526608079 DLXJYJNHGCMULF-SANMLTNESA-N 433.511 5.724 30 10 IKEE CCCCOc1ccc(/C=N\n2cnnc2SCc2ccc(C)cc2C)cc1OCC 526810827 OGXZVZBJEMIWSI-YSMPRRRNSA-N 438.597 5.647 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccc(Cl)cc1Cl 526817243 KFKLUBPTXGKZTC-AQHIEDMUSA-N 443.762 6.114 30 10 IKEE CCc1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 586242417 ZZXDXQVYUYPSOU-UHFFFAOYSA-N 445.371 5.823 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](Nc3ccc(Br)c(C#N)c3)C(C)(C)[C@H]21 693707115 QPBDJOZDPSLUMB-NJAFHUGGSA-N 434.378 5.157 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@](C)(C#N)Cc1ccc(Cl)cc1 698487803 HSVSQOIFJAGHFF-NRFANRHFSA-N 449.776 6.369 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@H](CNC(=O)OC(C)(C)C)C(C)C)cc1 698892758 SYFCSWHRLTXXCN-PMACEKPBSA-N 447.576 5.126 30 10 IKEE COc1cccc(-c2nn(C(C)(C)C)cc2/C=C\C(=O)c2ccc(C(F)(F)F)nc2O)c1 759664760 BQUJDZCTPRZPAR-NTMALXAHSA-N 445.441 5.329 30 10 IKEE COc1ccc(-c2nc(N=Cc3ccccc3OC)sc2-c2ccc([N+](=O)[O-])cc2)cc1 1083914714 XNGWWYJUZWHDKM-UHFFFAOYSA-N 445.500 6.153 30 10 IKEE N#Cc1cc(NC(=O)NC(=O)c2ccccc2Cl)ccc1-c1cccc(C(F)(F)F)c1 1616047118 PVGIOCDJEHIENR-UHFFFAOYSA-N 443.812 5.859 30 10 IKEE O=C1/C(=C\c2ccc(Br)o2)SC(=Nc2nccs2)N1C1CCCCC1 1772732639 BVYHNXZFYHCKTO-VGMPPWMTSA-N 438.372 5.435 30 10 IKEE Cc1ccccc1/C=C1\SC(=NN=Cc2cccc([N+](=O)[O-])c2)N(Cc2ccco2)C1=O 1772758705 BONOSBDPPXMOPW-VSVFQZKGSA-N 446.488 5.003 30 10 IKEE COc1cccc(-c2nn(-c3ccccc3)cc2/C=N\NC(=S)Nc2ccc(F)cc2)c1 1857811246 LIHJTLWEZQIJCY-YSMPRRRNSA-N 445.523 5.008 30 10 IKEE Cc1nc(-c2ccc(Br)cc2)ccc1C(=O)Nc1oc2c(c1C#N)CCCC2 1859763129 JDUBFVBUPSBUSP-UHFFFAOYSA-N 436.309 5.415 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Sc2nc(O)c(C#N)c(-c3cccc(Cl)c3)n2)cc1 1860463824 VQXQRAIBJYUXJM-ZDUSSCGKSA-N 438.940 5.056 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(CCCC)cc3)=C(O)C(=O)N2CC)cc1 1862394363 LQUORJDDLILZRF-DEOSSOPVSA-N 435.564 5.806 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccc(O)cc2)cc1C 1862400400 CZQQUYFALTXIMI-OSPHWJPCSA-N 443.499 5.049 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@H]2c2ccc(C)cc2)cc1 1862413262 YPEQMJQWORNEDR-HSZRJFAPSA-N 449.453 5.060 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1F 1862441826 DEVHNWWEQJVNBP-MMACOIQUSA-N 427.903 5.636 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccc(C)cc2)c1 1862444874 JHNUKHKMZBQIFR-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1cccc(Cl)c1)c1cccc(Cl)c1 1862446554 VKZWSVLCHAWUSB-FQEVSTJZSA-N 439.298 5.167 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccccc2C)c1 1862490229 QIUQEGIRAMARNQ-CPJSRVTESA-N 425.528 5.951 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2cccc(OC)c2)cc1 1862535525 DXZLKJSESJXBMN-VWLOTQADSA-N 441.527 5.345 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(F)cc1F 1862546394 WXXCHECFJQQGPQ-FPTDNZKUSA-N 425.475 5.220 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1cccc(Cl)c1 1862557124 JCCVZMDMJSCSBR-RBBKRZOGSA-N 440.971 5.859 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(Cl)cc1 1862584315 VKQWXCOBWUECRF-ZMZPIMSZSA-N 438.738 6.024 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862596350 MOBFCQPWWLUSPC-DEOSSOPVSA-N 449.547 5.482 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 1862618443 DGGKNZQAUVMWAT-YCRPNKLZSA-N 436.508 5.269 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(C)cc1 1862625811 OABCHSQHRCJIDW-HYBUGGRVSA-N 449.547 5.661 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(C(C)C)cc1 1862629107 NQLFVBQVAJPLNB-QHCPKHFHSA-N 435.520 5.163 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862644397 KBKLNEFEHIDBIO-QRQCRPRQSA-N 439.527 5.509 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccccc2)c1 1862648999 OLWGLQDUYUGMKG-SANMLTNESA-N 433.507 5.927 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2cccs2)cc1 1862660359 LENLQHLJZAOSDW-QHCPKHFHSA-N 431.557 5.958 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(O)c(O)c2)cc1 1862661945 FEYYKRKDLDWNHP-HSZRJFAPSA-N 435.520 5.132 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccc(F)cc2)cc1 1862663294 QUUPSECNUCYZRZ-RUZDIDTESA-N 449.566 6.640 30 10 IKEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CCCC2)cc1 1862666936 OWBRQWVEYBXALB-HSZRJFAPSA-N 447.531 5.118 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCC(C)C)c1 1862668947 KTBWTZIBZJHPME-VWLOTQADSA-N 449.591 6.223 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCC(C)C)cc1O 1862718223 WGVQOQBXIYAHEM-XMMPIXPASA-N 445.515 5.178 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccccc1C 1862722602 VHMSPJZKYDETCH-CLOONOSVSA-N 425.528 6.039 30 10 IKEE COc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3cccc4ccccc34)C2=O)cc1 1862842641 YKFMZUDCZSVYEP-UHFFFAOYSA-N 445.478 5.117 30 10 IKEE Cc1ccc(NC2=C(c3ccccc3F)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1Cl 1862925953 NRYWZFIZCQILMX-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCOCCCC)=C(c2ccccc2F)C1=O 1863648092 MDIWDISISAQAAX-UHFFFAOYSA-N 432.580 5.063 30 10 IKEE CN(CC(C)(C)c1ccccc1)c1cc(Nc2cccc(C#N)c2)nc(-c2cccnc2)n1 1868553434 OIJIZIBTDWKFHR-UHFFFAOYSA-N 434.547 5.568 30 10 IKEE CC(C)c1cc(C(C)C)cc(-n2nnc(C#N)c2NC(=O)CCC(=O)c2cccs2)c1 1870147432 PECTWRILVQAEAX-UHFFFAOYSA-N 435.553 5.049 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCCCOc2ccccc2C)cn1CCCC 1870321366 ACXKEUJQNKTOFK-UHFFFAOYSA-N 438.612 5.369 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)c(Cl)c2)c(=O)cc1CN1C[C@@H](C)C[C@H](C)C1 1870404531 MDEVUBSJLWTSSJ-IRXDYDNUSA-N 435.395 5.398 30 10 IKEE CCCCCCCOc1cn(CCCN(C)C)c(CNc2ccc(CC)cc2)cc1=O 1870837601 OIZUHYDRRLJOIR-UHFFFAOYSA-N 427.633 5.324 30 10 IKEE C=CCn1cc(OCCCOc2ccc(Cl)cc2)c(=O)cc1CNc1ccc(F)cc1 1871218431 FISHUWYEJDVNLW-UHFFFAOYSA-N 442.918 5.287 30 10 IKEE COc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN([C@@H]3CCCC[C@H]3C)C4)C2=O)c(OC)c1 1871355691 GTVRCVOSKIMBGP-SFERFXIVSA-N 449.547 5.359 30 10 IKEE CCCOc1ccccc1/C=C/C(=O)Oc1ccc2c(c1C)O/C(=C\c1ccccc1)C2=O 1871376100 TWNILJFRZDNBBO-MOAJBTABSA-N 440.495 6.019 30 10 IKEE O=C1/C(=C/c2ccccc2Cl)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc21 1871379544 UGZNSCGZEVGPRB-UUYOSTAYSA-N 444.826 5.282 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O)c1ccc(OCc2ccccc2)cc1 1871388560 CICYFYTTZTUCOF-PKAZHMFMSA-N 448.474 6.101 30 10 IKEE CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1sccc1C)C2=O 1871403383 WXDDLTZEHYALFQ-LRSOKBAUSA-N 449.528 5.477 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCCCCOc4ccccc4C)c3C)C2=O)cc1 1871404093 AGXLMJFFVFUSKD-ITYLOYPMSA-N 428.528 6.466 30 10 IKEE Cc1ccc(OCCCCOc2ccc3c(c2C)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871406251 YSWFEBDIJJGDKR-UQQQWYQISA-N 432.491 6.297 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)c(C)c1 1871412225 XKKPKKMEPCGURF-DNNAEVNTSA-N 445.490 5.773 30 10 IKEE COc1ccc(OCCOc2ccc3c(c2)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)cc1 1871415099 VKOSWLDBPPMOJF-ONUIUJJFSA-N 444.527 6.067 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(O[C@@H](C)C(=O)Nc3ccc(C#N)cc3)cc(C)c2C1=O 1871436095 MGNMVQQSRGWZNI-DNNAEVNTSA-N 438.483 5.197 30 10 IKEE COc1ccccc1NC(=O)COc1ccc2c(c1C)O/C(=C\C=C\c1ccccc1)C2=O 1871458822 MUBTZXJWMDVVDV-GXWRHTCTSA-N 441.483 5.194 30 10 IKEE Cc1c(OCC(=O)Nc2ccccc2)ccc2c1O/C(=C\c1c(F)cccc1Cl)C2=O 1871459783 CWLNVMYXEDVOFN-MTJSOVHGSA-N 437.854 5.421 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(OCCCCCC)cc2)[nH]c(N(C)C)n1 1871611390 RLKILDNKIWBHME-UHFFFAOYSA-N 442.652 5.835 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cccc(Cl)c1C)[C@H](C)CC)S(=O)(=O)c1ccccc1 1872438095 KYUTZBDHFPETGK-VGSWGCGISA-N 449.016 5.269 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3Br)n2)cc1 1872762410 LULNVFDGRUTEPV-GOSISDBHSA-N 439.378 6.405 30 10 IKEE COc1ccc(OC)c(CC(=O)[C@@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)c1 1872773022 JOUZENVFJDGJLX-HXUWFJFHSA-N 434.561 5.544 30 10 IKEE COc1ccccc1CC(=O)[C@@H](C#N)c1nc(-c2cc(C(C)(C)C)ccc2OC)cs1 1872776984 CTFXMXJAOCANKT-LJQANCHMSA-N 434.561 5.544 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(NC(C)=O)c3)n2)c(OCC)c1 1872783680 FXMVLXMQSZLGBT-FQEVSTJZSA-N 449.532 5.056 30 10 IKEE CCCn1c(SCc2ccc(C(=O)Nc3cccc(C#N)c3)cc2)nc2ccccc21 1872894973 VRZNSNMPALNQRJ-UHFFFAOYSA-N 426.545 5.863 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCc2ccccc2)=C(c2cccnc2)C1=O 1873081247 XRNJTOUKIUDHNE-UHFFFAOYSA-N 447.623 5.525 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H](C)CC)=C(c2c(Cl)cccc2Cl)C1=O 1873095102 FTNIEFNSXJBIKU-HNNXBMFYSA-N 425.400 5.822 30 10 IKEE C=CCn1c(C(=O)Nc2cc(C)cc(C)c2)cc2c(NCc3ccc(Cl)cc3)ncnc21 1873637551 HRMSSSMXMHYBIQ-UHFFFAOYSA-N 445.954 5.752 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C(C)(C)C)c2)cc2c(N3CCC[C@@H](C)C3)ncnc21 1873657561 IAFFYDNMZVJJAX-GOSISDBHSA-N 431.584 5.403 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(OCCCC)cc1)n2CC=C 1873663177 WPRPYEHNYNLWAG-UHFFFAOYSA-N 445.567 5.227 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1cccs1 1874204206 OKZPRZBPGOZVBN-ZVBGSRNCSA-N 439.393 5.776 30 10 IKEE CCCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccccc1Cl 1874233025 YJWFPHKPIHRGBS-YZSQISJMSA-N 434.996 6.254 30 10 IKEE CCSc1nnc(COc2cccc(C)c2C)n1/N=C/c1ccc(N(CC)CC)cc1 1874323674 BRJIQNRNUJLACV-PCLIKHOPSA-N 437.613 5.314 30 10 IKEE Fc1ccc(/C=N/n2c(Cc3ccc(Cl)cc3)nnc2SCc2ccccc2)cc1 1874342612 ZDLFXWAVBXHBJN-CVKSISIWSA-N 436.943 5.836 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3Cl)n2/N=C/c2ccccc2)cc1C 1874358562 ODWKHGWWJXZXFM-JVWAILMASA-N 447.007 6.314 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(-c2ccccc2)n1/N=C/c1cccs1 1874430152 VIGJNMCCSZSUNA-FSJBWODESA-N 428.945 5.974 30 10 IKEE COc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2cc(C)ccc2C)cc1O 1874438700 OIZMSOJKUSCNMN-AFUMVMLFSA-N 438.597 5.372 30 10 IKEE COCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(C(C)C)cc1 1874502366 DRUWJZQMBXEYBX-CVKSISIWSA-N 430.577 5.876 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C)n2/N=C/c2ccc(Cl)c(Cl)c2)cc1C 1874528680 WDFHKKVYWCHXSW-AUEPDCJTSA-N 448.379 5.123 30 10 IKEE CCCCCCOc1ccc(/C=N/n2c(S)nnc2Cc2cccs2)cc1OC 1874560876 ULTXCVVDZHJSMO-PXLXIMEGSA-N 430.599 5.069 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1Cl 1874590829 KNHMILJBFZHDEO-VMPITWQZSA-N 447.745 7.131 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OCC(=O)NC3CCCCC3)c2)cc1C(C)C 1874598358 IICHNIITQNEUQA-BUHFOSPRSA-N 449.591 5.851 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OCc1c(F)cccc1Cl 1874609480 TULBUWKFGRLWTQ-NTUHNPAUSA-N 440.898 6.362 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(OC)c1OCC(=O)OCCC 1874625092 LFVMFBQECYPFEC-NTEUORMPSA-N 436.548 5.775 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3C)cc2)cc1Cl 1874636071 HVZHWIFUUMMSIY-UKTHLTGXSA-N 435.907 5.571 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(OC)c(OC)c3)c2)cc1 1874701158 FDUUFKJLZCMJTF-RIYZIHGNSA-N 446.499 5.147 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(Cl)cc3)c2)cc1 1874706057 NMQPESCRGVRMEY-CXUHLZMHSA-N 432.947 6.682 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)CCc3ccccc3OC)c2)cc1C 1874717688 JCRMCGBOFWAFOB-WYMLVPIESA-N 444.527 5.755 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(Cl)c1OC(=O)c1ccccn1 1875113354 YADMMRXQSWZWKE-KPKJPENVSA-N 437.879 5.258 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Br)c1OC(=O)C(C)C 1875125217 XAVXSHYLJJXMHX-QPJJXVBHSA-N 439.252 5.193 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OC(=O)c1ccc(N(C)C)cc1 1875127559 MACRVEUPWYGKLI-NTEUORMPSA-N 435.907 5.530 30 10 IKEE O=C(Cc1ccccc1F)Oc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1 1875134026 JEEQHYNGSUAACY-KPKJPENVSA-N 429.274 6.177 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2Cl)cc1 1875139769 ZDSUOCWDHJHDCA-NTUHNPAUSA-N 434.919 6.471 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc(Oc3ccccc3)c2)cc1)c1ccc(F)cc1 1875157789 ONCGUPLYGFRADY-WOJGMQOQSA-N 438.454 6.733 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2ccc(OC(=O)CC3CCCCC3)cc2)cc1Cl 1875173031 DNKJXEREGXPQES-JLHYYAGUSA-N 442.939 6.129 30 10 IKEE N#Cc1ccnc(OCC2CCN(C(=O)CCc3c4ccccc4cc4ccccc34)CC2)c1 1891821373 URVCXMPROJBKML-UHFFFAOYSA-N 449.554 5.510 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCC)c2ccc(F)cc2Br)C1 1898191443 NFNLFEJCLHOTST-KRWDZBQOSA-N 427.358 5.100 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1ccc(Br)c(C(F)(F)F)c1 1922065227 LFKPWSSCSARKDX-IBGZPJMESA-N 428.292 5.892 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1cc(CC)ccc1NC(=O)OC(C)(C)C 1922090888 DMYOKLNJYNLVEV-RUZDIDTESA-N 438.612 6.410 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC1(N(C)C(=O)OC(C)(C)C)CCCCC1)NCC 1922106198 AQSSAEPOZYPYFU-QHCPKHFHSA-N 430.633 5.697 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1scc(Br)c1C 1923017884 FGENCQMZBOMUHO-HOTGVXAUSA-N 431.440 5.719 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(C)cc(Br)c1F 1926716362 SVGTVCDJHWVWTG-SJLPKXTDSA-N 429.374 5.407 30 10 IKEE CCCCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](CC)C(=O)O 1927425811 CHAQFHRNYZYWIL-UQBPGWFLSA-N 437.580 6.365 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1ccc(Cl)s1 1942300873 VFBHGMOFCFEGCM-CYBMUJFWSA-N 427.751 6.170 30 10 IKEE CC(C)(C)OC(=O)Nc1ccccc1[C@H](C#N)N(C[C@@H]1CCCO1)C(=O)OC(C)(C)C 1944208192 UUKPUCVVBVDVDM-LPHOPBHVSA-N 431.533 5.014 30 10 IKEE CC(C)(C)OC(=O)Nc1ccccc1[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 1944208612 ZOQGJBAQIXOHAW-FQEVSTJZSA-N 429.561 6.168 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@]1(C#N)CC[C@@H]1NC(=O)OCc1ccccc1 1959030387 LDQGSBYIANOMAD-SQJMNOBHSA-N 441.572 5.297 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H](CNC(=O)OC(C)(C)C)CC(C)C 2033654247 ZHGFBAXFMCWSRK-PZJWPPBQSA-N 445.604 5.816 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Br)c(Cl)c1 2041574277 KJJRNBAWLNHWQB-IRXDYDNUSA-N 429.786 5.060 30 10 IKEE C=CCCCCC[C@H](NCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2041904374 YYGMJKYDZZOZSX-IGKIAQTJSA-N 444.660 5.945 30 10 IKEE O=C(C=Cc1cccc(O[C@@H](C(=O)O)c2ccccc2)c1)c1cnn(Cc2ccccc2)c1 2069748163 RFJJSHNBEJRPLA-AREMUKBSSA-N 438.483 5.032 30 10 IKEE Cc1ccc([C@H](C(C)C)n2nc(C3(C)CC3)c(C#N)c2I)cc1F 2079140793 RSXGHGOZCGVTEP-INIZCTEOSA-N 437.300 5.104 30 10 IKEE CC[C@H](c1ccc(C2CCC2)cc1)n1nc(C2CCC2)c(C#N)c1I 2079951845 ZDOZIEWFNHOHBM-LJQANCHMSA-N 445.348 5.894 30 10 IKEE CC(C)Oc1ccc([C@H](n2nc(C(C)(C)C)c(C#N)c2Br)C2(C)CC2)cc1 2080057618 LNYYXYMKTGCYMJ-IBGZPJMESA-N 430.390 5.991 30 10 IKEE CSc1ccc([C@H](C2CC2)n2nc(C(C)C)c(C#N)c2I)cc1 2080105978 RLMQEIWDJXTPEA-KRWDZBQOSA-N 437.350 5.204 30 10 IKEE C#CCCCC[C@@H](NCCC)c1ccc(I)c(Br)c1 2116845942 VJVXOAURGKXXEE-MRXNPFEDSA-N 434.159 5.288 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NC)c2cc(C)cc(Br)c2F)C1 2126684749 KKJCDYHOHYWFEE-KRWDZBQOSA-N 427.358 5.018 30 10 IKEE CC(C)(C)OC(=O)N1CCc2cc(Nc3ccc(C#N)c(Br)c3)ccc2C1 2162327732 CGCOYDHDYRPOLV-UHFFFAOYSA-N 428.330 5.358 30 10 IKEE COc1cccc(C)c1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2183191650 QTEBZXBUKXAELU-QGZVFWFLSA-N 431.330 5.773 30 10 IKEE C#CCN(C[C@@H](NCCC)c1sc(C)c(C)c1Br)C(=O)OC(C)(C)C 2221828599 CCCXLLBRSJCXEQ-OAHLLOKOSA-N 429.424 5.038 30 10 IKEE C=C(C)C[C@H](NCCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229122300 FKIBBFOVTRLCPW-RBUKOAKNSA-N 425.411 5.219 30 10 IKEE CC1(C)OB(c2csc(C(=O)N(Cc3ccccc3)CC3CCCCC3)c2)OC1(C)C 2255616348 ZQFYYZSHJQDXQF-UHFFFAOYSA-N 439.430 5.270 30 10 IKEE N[C@H](C#Cc1ccc(Br)cc1)c1c(Br)cccc1Br 2278765636 UDNBPMSOMHHQMY-CQSZACIVSA-N 443.964 5.026 30 10 IKEE C=CCC[C@@H](C)[C@H](OCCC(=O)O)c1cc(Br)c(Br)s1 2291014549 FMFRBDFXKASTOR-RNCFNFMXSA-N 426.170 5.408 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1 2296260150 QWIDXUOJJBPJEV-XMMPIXPASA-N 425.414 5.081 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C=CC(=O)C#Cc2ccc(Br)cc2)cc1 2296289468 RXNMEVSYDOQXAL-UHFFFAOYSA-N 426.310 5.430 30 10 IKEE COc1ccccc1C=CC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 2297297705 LRMGKIOGSYAGQB-UHFFFAOYSA-N 436.305 5.606 30 10 IKEE Cc1ccc(C=C2SC(=Nc3c(C)cccc3C)N(c3c(C)cccc3C)C2=O)s1 2297460705 QOFSONJZHICVCA-UHFFFAOYSA-N 432.614 7.099 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@](C#N)(N(C(=O)OC(C)(C)C)C3CCCCC3)C[C@@]2(C)C1 2309553134 UDFVEWXHXRVOJM-YWWLGCSWSA-N 447.620 5.486 30 10 IKEE COc1ccc(Br)cc1C=CC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 2313629608 MNXPXOIMGWLTSF-LBPRGKRZSA-N 431.355 5.168 30 10 IKEE COc1ccc(C(=O)Oc2ccccc2C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1 2314430219 ZAYILPKEPXNLCD-UHFFFAOYSA-N 434.491 6.478 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cccc(OCc2ccccc2)c1 2314470393 GROQVJWSSFWMIF-DQEYMECFSA-N 436.596 5.613 30 10 IKEE Clc1ccccc1CSc1nnc(C2CC2)n1N=Cc1cccc(Br)c1 2320858454 KNRPRRKMOJIRFX-UHFFFAOYSA-N 447.789 5.746 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(S)n1N=Cc1cccc(OCc2cccc(Cl)c2)c1 2321962548 KWUADAZVLVBMQF-KRWDZBQOSA-N 448.979 5.833 30 10 IKEE Cc1ccsc1C=C1Oc2c(cc3c(c2C)OCN(Cc2ccccc2Cl)C3)C1=O 2322305592 GIBAHYXJFSHAPQ-UHFFFAOYSA-N 437.948 5.987 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)C(Cl)=Cc4ccccc4)ccc3C2=O)cc1 2323437989 BIXMKRURUXLGDT-UHFFFAOYSA-N 432.859 5.497 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OC(=O)C(Cl)=Cc4ccccc4)ccc3C2=O)cc1 2323438137 VLOWUTCPQNNQLR-UHFFFAOYSA-N 446.886 5.887 30 10 IKEE CCCOC(=O)COc1ccc(C=CC(=O)c2ccc(CC)cc2)cc1Br 2323465006 VHXZMWJDRQSQEJ-UHFFFAOYSA-N 431.326 5.240 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(C)cc1 2323777456 HJLNLWAVBAIITR-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C)cc2)C3=O)c(OCC)c1 2323783279 GSKQDHZRYKKFNP-UHFFFAOYSA-N 444.483 5.628 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OCC(=O)N[C@@H](C)c1ccccc1 2323802837 SXGFTJVBLOXRSG-SFHVURJKSA-N 449.934 5.501 30 10 IKEE COc1ccc(-c2csc(NN=Cc3cccc(OC)c3OCc3ccccc3)n2)cc1 2323840562 RTQZEJFIXKXGOL-UHFFFAOYSA-N 445.544 5.852 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2OCC)C3=O)cc1 2323864673 GIFHTWXTZMISEH-UHFFFAOYSA-N 442.467 5.486 30 10 IKEE Cc1c(OC(=O)c2ccc(OC(=O)C(C)C)cc2)ccc2c1OC(=Cc1ccccc1)C2=O 2323933765 WWPJQIUASJDZQW-UHFFFAOYSA-N 442.467 5.392 30 10 IKEE Cc1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)c1C 2324498812 QESRKVHUCPYMCK-HXUWFJFHSA-N 439.511 5.882 30 10 IKEE Cc1ccc(OCCOc2ccc3c(c2C)OC(=Cc2ccc4c(c2)OCO4)C3=O)cc1 2324538337 NIKSMNQWDDASAM-UHFFFAOYSA-N 430.456 5.106 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3c(C)cc(C)cc3C)cc2OC)o1 2324567812 KBMJQRBVIKTVMJ-UHFFFAOYSA-N 448.515 5.865 30 10 IKEE Cc1cc(OCc2ccc(C(=O)OC(C)C)cc2)cc2c1C(=O)C(=Cc1ccccc1)O2 2324606009 JVBYCWWVKQYQPE-UHFFFAOYSA-N 428.484 5.755 30 10 IKEE COC(=O)c1cccc(COc2ccc3c(c2C)OC(=Cc2ccc(C(C)C)cc2)C3=O)c1 2324748285 FIJFJKQTKWJBHI-UHFFFAOYSA-N 442.511 6.100 30 10 IKEE CCOc1ccc(C=C(C(=O)N=C2NN=C(c3ccccc3)CS2)c2ccccc2)cc1 2325435339 BUADVTCKPCKKTP-UHFFFAOYSA-N 441.556 5.249 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccco3)c2)cc1OCCC 2325726804 HEJDQMZFGVLHRN-UHFFFAOYSA-N 434.488 5.973 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(-c4ccccc4)cc3)c2)cc1 2325750615 AKABWQPQOWOLNW-UHFFFAOYSA-N 446.546 7.592 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OC(=O)c1cc(C)cc(C)c1 2325764325 DLWURPVDMCOROS-UHFFFAOYSA-N 428.528 6.353 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccccc2F)c(C)c1 2326460534 OQUQNURYZAEBSY-UHFFFAOYSA-N 444.579 5.994 30 10 IKEE Clc1cccc(C=Nn2cnnc2SCc2c(Cl)cccc2Cl)c1Cl 2326511974 CDQMQIPWGRCOLZ-UHFFFAOYSA-N 432.163 6.066 30 10 IKEE CCCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2327771900 RGENTRVRHIZQNC-UHFFFAOYSA-N 447.520 5.020 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CCc2ccccc2OC)nnc1SCC(=C)C 2328689832 ZLBLZDLCAMPPPR-UHFFFAOYSA-N 448.592 5.187 30 10 IKEE COc1cc(C=NNc2ccnc(Cl)n2)ccc1OCc1c(Cl)cccc1Cl 2328841468 ALVGJKBPHIJNRN-UHFFFAOYSA-N 437.714 5.470 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccccc1 2329077060 PNUGZCDETRHBEH-UHFFFAOYSA-N 432.980 6.005 30 10 IKEE Clc1ccccc1CSc1nnc(CCc2cccs2)n1N=Cc1ccccc1 2329667706 QMIRAXKFFVYHAQ-UHFFFAOYSA-N 439.009 5.953 30 10 IKEE CCc1ccc(C=Nn2c(Cc3ccccc3F)nnc2SCc2ccc(C)cc2)cc1 2329700914 SRUGLXWRDWHITO-UHFFFAOYSA-N 444.579 6.053 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cc(C)ccc3C)n2N=Cc2sccc2C)cc1 2329999684 JJQJDXLQKHRRRV-UHFFFAOYSA-N 446.645 6.339 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3cc(F)ccc3F)cc2)cc1C 2330855655 SVRATFVSRQNGQS-UHFFFAOYSA-N 438.426 5.162 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccs3)c(Br)c2)cc1 2330967921 RPIABFPMSQCPDC-UHFFFAOYSA-N 443.318 5.635 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)CSc2ccccc2)c([N+](=O)[O-])c1 2331069167 FEKZEAYPDWGJCP-UHFFFAOYSA-N 449.484 5.197 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2[N+](=O)[O-])cc1 2331225356 PAXCZPCAMNLIOL-UHFFFAOYSA-N 429.472 5.889 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)c1 2331313395 JIJHPDYTZQDTNW-UHFFFAOYSA-N 439.338 6.654 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)Cc1ccc(F)c(C)c1 2331329905 USAYFEOMPSMILE-UHFFFAOYSA-N 432.491 5.804 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccccc3)nnc2C(C)(C)C)cc1OCC 2331396360 QHPYAZCEKVXMCD-UHFFFAOYSA-N 438.597 5.548 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(O)cc1O 2331402846 XVMBGDLOYUOFKT-UHFFFAOYSA-N 432.549 5.315 30 10 IKEE Cc1ccccc1CSc1nnc(CC(C)C)n1N=Cc1ccc(Cl)c(Cl)c1 2331431504 NSPGSTCFEZBSGQ-UHFFFAOYSA-N 433.408 6.266 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc3ccccc23)cc(OC)c1OC(=O)[C@@H]1CCCO1 2331484173 RSQZIBZOXZJLSZ-VWLOTQADSA-N 442.511 5.557 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)c1cccc2ccccc12 2331535512 RSKJIHGTVQVYAK-UHFFFAOYSA-N 440.470 6.493 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(C)C)n2N=Cc2ccc(Cl)c([N+](=O)[O-])c2)c1 2331700393 HXKYILGFRFXSPU-UHFFFAOYSA-N 443.960 5.754 30 10 IKEE N#Cc1cc(CSc2cc(I)ccc2Br)ccc1F 2338310052 FWVHQMVLINKHAV-UHFFFAOYSA-N 448.098 5.357 30 10 IKEE CCN[C@@H](C#Cc1cccs1)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2338316417 KQLNBRUKEWHZAI-SFHVURJKSA-N 435.387 5.560 30 10 IKEE CC[C@H]1CCC[C@@](C=O)(Cc2ccc(I)c(Br)c2)C1 2349912915 AJLNDGANFLDCNY-LRDDRELGSA-N 435.143 5.382 30 10 IKEE O=C1/C(=C/c2ccc(Br)cc2)Oc2cc(OCc3ccc(Cl)cc3)ccc21 33368883 OCXKLMYJNQFJJG-NHDPSOOVSA-N 441.708 6.298 30 10 IKEE COc1ccc(Oc2ccc(/C=C\C(=O)c3ccc(C(C)(C)C)cc3)cc2[N+](=O)[O-])cc1 33454866 YDYMOCFTSGSEFB-WCSRMQSCSA-N 431.488 6.589 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)c(OCC)c2)SC1=S 33921522 WMGSTBDVSJYDJA-MOSHPQCFSA-N 445.993 5.705 30 10 IKEE N#Cc1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc2c1CCN(Cc1ccccc1)C2 36628535 ZEGRWBYRHZKVRP-UHFFFAOYSA-N 431.605 5.333 30 10 IKEE CCCCCCn1c(O)c(C(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)c(C)c(C#N)c1=O 38627029 SOQVXOOOVHQTLM-WMLDXEAASA-N 425.356 5.088 30 10 IKEE O=C1N/C(=N\N=C\c2ccc(-c3ccccc3Cl)o2)S[C@H]1Cc1ccc(Cl)cc1 39888060 ZTRJVFGOHSVUGG-OGBFJMLUSA-N 444.343 5.418 30 10 IKEE O=C1C2=C(Nc3nn(-c4ccccc4)c(O)c3[C@H]2c2ccc(Cl)cc2)c2ccccc21 59060821 FADIMSXSEQOYIB-IBGZPJMESA-N 425.875 5.396 30 10 IKEE CCCCCCCCCCCCCCC[C@@H](O)CC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C 96094923 PWZJXSPDNGIODC-DHIUTWEWSA-O 444.677 5.311 30 10 IKEE in-vitro CN1C/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)/C(=C/c2ccc(Cl)cc2Cl)C1 98064398 KWBRNOSZNAIKEZ-XIGXGDJXSA-N 427.158 6.282 30 10 IKEE F/C(=C(\c1c(F)c(F)c(F)c(F)c1C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)F 100096295 OSVRCROUISFXGH-FPYGCLRLSA-N 448.100 6.702 30 10 IKEE CCCCCCCOc1ccc(NC(=O)CNc2cccc(NC(=O)CC)c2C)cc1 100118303 HLBLLWBKDHBENH-UHFFFAOYSA-N 425.573 5.743 30 10 IKEE CCCCCCOc1ccc(CN2CCN(CCC#N)CC2)c(OCCCCCC)c1 100156635 IWIKXDIXRVNURM-UHFFFAOYSA-N 429.649 5.636 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2ccc(OCCOC)cc2)cc1 100183351 ODTKCSDMZKMNGX-UHFFFAOYSA-N 444.597 5.188 30 10 IKEE CCCCCCCCCCCCCCCCCCC[C@@H](O)CCCCCC[C@H](O)CC 100308031 AZCAOVQLYUGFIV-FQLXRVMXSA-N 440.797 9.501 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)S/C1=N/c1cccc(C)n1 101125558 QADGDWNRVMNYNU-OYPKHVMMSA-N 448.504 5.491 30 10 IKEE FC1=C(F)[C@](F)(OCC(F)(F)C(F)F)[C@H](F)C(F)=C1OCC(F)(F)C(F)F 106122701 MNDBIOHPAGEXBD-SREIQFSDSA-N 430.160 5.170 30 10 IKEE CCN1C(=S)N[C@H](c2ccc(Oc3ccccc3)cc2)C(C(=O)c2ccccc2)=C1C 169931486 XHZSIUQXYHGEKR-XMMPIXPASA-N 428.557 5.887 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccc(O)cc2)cc1 169963465 NUPPOEIODOYXTM-RUZDIDTESA-N 446.462 5.200 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccc(F)cc2)c1 169972418 DVXWNPWZKNTMFQ-XMMPIXPASA-N 429.491 5.529 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@@H]2c2cccs2)c1 169981884 JFDYQKQOGNHECR-QFIPXVFZSA-N 449.528 5.247 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2c[nH]c3ccccc23)cc1 170073686 IMGRMEQXMVFVCN-QHCPKHFHSA-N 426.447 5.398 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@@H]2c2ccco2)c(C)c1 170090611 ACZUPJLLLTUGLY-HSZRJFAPSA-N 445.515 5.677 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2cccnc2)c1 170187479 MITYPHPSNRJJFI-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1cccnc1)c1cccc2ccccc12 170188922 MNVBBDZTNHMGTI-HSZRJFAPSA-N 440.886 5.671 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1cccnc1)c1ccc2ccccc2c1 170191642 JFJQTRFMSLKJLI-HSZRJFAPSA-N 442.421 5.296 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccncc1)c1ccc2ccccc2c1 170199749 YNIJYYYYYOPMLE-HSZRJFAPSA-N 442.421 5.296 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccncc2)cc1Cl 170202259 GZPIMFKKOVQSKW-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccncc2)c1 170205259 WJNQOPOMHYMYFR-XMMPIXPASA-N 436.467 5.032 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@@H]1c1ccc(F)cc1 170243150 RWTJTZXRGUQPCE-FQEVSTJZSA-N 431.891 5.256 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@H]1c1ccc(F)cc1 170243168 SHFPOOYNUSQBLL-HXUWFJFHSA-N 431.891 5.256 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccccc1F)c1cc2cc(Cl)ccc2o1 170253694 ONYMCCROBVMMRG-NRFANRHFSA-N 439.870 5.746 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccccc2C)c1 170271869 XVUJLVKQRBWNFS-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccc2C)ccc1Cl 170272994 VUVBYRJRVPLNEX-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccco2)c1 170290726 FGSBFASPDUIRKA-NRFANRHFSA-N 439.414 5.130 30 10 IKEE C=CCOc1cccc([C@@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2CCC)c1 170324443 BBBBWRJPXWZLHR-XMMPIXPASA-N 447.575 5.846 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(F)c(F)c2)c1 170364448 HNONVCINEAEABQ-FQEVSTJZSA-N 441.455 5.208 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccncc2)=C(O)C(=O)N1c1cccc(C(F)(F)F)c1 170399294 ABYOYFCMHAKALH-FQEVSTJZSA-N 438.405 5.192 30 10 IKEE C=CCc1ccc(OCCCCn2c(/C=C\c3ccco3)nc3ccccc32)c(OC)c1 205759907 QTZDVIOLWRACLD-PEZBUJJGSA-N 428.532 6.396 30 10 IKEE Cc1cc(=O)oc2c(C=NNc3nc(-c4ccccc4)cc(-c4ccccc4)n3)c(O)ccc12 252624418 PNORUVCVLCSBBV-UHFFFAOYSA-N 448.482 5.377 30 10 IKEE CCOc1ccc(N=C2S/C(=C\c3cc(OC)c(OC)cc3Cl)C(=O)N2CC)cc1 252635897 XBISUPUJBROKNQ-YNMBWQPYSA-N 446.956 5.380 30 10 IKEE COc1cc(-c2nc3ccccn3c2N=Cc2ccc(-c3ccc(F)cc3)o2)ccc1O 254479121 KJOAVGRKHOLIJL-UHFFFAOYSA-N 427.435 5.865 30 10 IKEE CC[C@@H](CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 256078662 ICFXJOAKQGDRCT-XGROMABTSA-N 428.701 7.204 30 10 IKEE endogenous,in-man CCCN[C@H](CC#CC(C)(C)C)c1ccc(Br)cc1NC(=O)OC(C)(C)C 407682177 OFZZXCHVSLCQQW-GOSISDBHSA-N 437.422 6.276 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccc(Cl)c2)c(OC)c1 526606324 DTGDZMJWKIIODJ-QHCPKHFHSA-N 446.890 5.286 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(Nc2ccccc2C#N)=C(SCc2ccco2)C1=O 526666628 MZOJQLOUXYSZBM-UHFFFAOYSA-N 449.919 5.243 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)c(F)c2)c1 526743905 GTNJYYYBPFWNHE-HSZRJFAPSA-N 449.453 5.537 30 10 IKEE CCCOc1cc(/C=N\n2c(C)nnc2SCc2ccccc2Cl)ccc1OC 526816791 NIGLTTLCTASPPV-QRVIBDJDSA-N 430.961 5.212 30 10 IKEE C=CCN(CC=C)C(=O)Nc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 586663944 PPBOSKOZRAVACK-UHFFFAOYSA-N 441.531 5.724 30 10 IKEE COc1ccc([C@@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)c(Br)c1 710815611 DBMLOHQXFKUPQY-LJQANCHMSA-N 431.330 5.460 30 10 IKEE N#C[C@@H](C(=O)CCc1cccc(C(F)(F)F)c1)c1nc(O)c2c3c(sc2n1)CCCC3 766836612 ANUOAIXIZJZPMP-HNNXBMFYSA-N 445.466 5.104 30 10 IKEE Oc1c(Br)cc(Br)cc1C=Nc1ccc(Cc2ccncc2)cc1 1084610127 RGLIABFRPSVJIA-UHFFFAOYSA-N 446.142 5.654 30 10 IKEE CC1(C)Cc2cccc([C@H](C#N)OC(=O)[C@@H]3[C@@H](/C=C(/Cl)C(F)(F)F)C3(C)C)c2O1 1615199687 OAVOLVCXKGWJOS-XTDZJDOZSA-N 427.850 5.465 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3c(Cl)cccc3Cl)o2)SC1=Nc1ccccn1 1772730377 HVBPRSVJFOLYBL-FNSVQNJISA-N 430.316 5.882 30 10 IKEE O=C1/C(=C\c2ccc(Br)o2)SC(=Nc2ccccn2)N1c1ccccc1 1772731891 RNEINOZZKCYPIQ-RCFILRSGSA-N 426.295 5.246 30 10 IKEE O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=Nc2cccnc2Cl)N1C1CCCCC1 1772735544 URVWFGPZSMARMP-SDWZUDADSA-N 442.928 5.580 30 10 IKEE Cc1ccc(C)c(C(=O)C[C@@H]2SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)c1 1772760000 KKCJTBOAUMLAEG-VWLOTQADSA-N 442.584 6.329 30 10 IKEE C=CCN(CC=C)C(=O)Oc1cccc2c(NC(=O)c3cccc(OCC)c3)cccc12 1858951466 JLIUCUBZXGIXGC-UHFFFAOYSA-N 430.504 5.664 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)/C=C/c1ccco1 1861787959 BVEPABIADXVXBZ-JOPBRCQMSA-N 442.575 5.416 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@H]2c2cccc(Cl)c2)cc1 1862392149 QNRAWFUWHRTXKK-QFIPXVFZSA-N 425.956 6.061 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1c(F)cccc1Cl 1862420242 GMCRLLQXTPTSAB-IBGZPJMESA-N 437.845 5.526 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccccc2)cc1 1862431624 KZPKAAVDHNNMJY-HSZRJFAPSA-N 431.919 5.681 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(C)cc1 1862441156 APMRIGCJWQIIMF-GMAHTHKFSA-N 439.983 6.586 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(C)c1 1862441883 DRDPISTTXARPNX-QFIPXVFZSA-N 441.955 5.434 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccccc1C 1862468460 PRCBQQJRUPMLLN-AUUYWEPGSA-N 428.326 5.134 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccc(O)cc2)c1 1862490538 YAOZSBFDHHDFAK-DEOSSOPVSA-N 433.548 5.700 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862496763 SAJIKBFELBNQHV-YADARESESA-N 435.564 5.859 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc(C)cc2)cc1 1862516009 XJTQDRYOTUGOEZ-DNVKUUNQSA-N 447.575 5.941 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@H]1c1ccc(F)cc1 1862517758 UZXRJSDLDUTMKK-HSZRJFAPSA-N 439.527 5.773 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1C(=O)O 1862582427 DIGWVLWCFQOXQG-ZMZPIMSZSA-N 448.302 5.068 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1[C@H]1CCCC[C@@H]1C 1862648437 BBODCPWNMZEDQH-VFHOHQAYSA-N 439.555 6.305 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CC)cc1 1862671249 NHFISYKJQAFVRE-XMMPIXPASA-N 435.564 5.977 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)c1 1862675330 IADIVGVHNOFTQK-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(C(C)C)cc1 1862678801 RRHGGGQDXMOUNI-QHCPKHFHSA-N 439.527 5.343 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(C(C)C)cc2)cc1 1862690938 GEIARGYTTSMBNG-DEOSSOPVSA-N 433.548 5.730 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2C2CC2)c1 1862724980 YGPHFYXJMJNPEX-DEOSSOPVSA-N 425.484 5.103 30 10 IKEE CCCCc1ccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862768285 GXMRCEVWWDNCQH-UHFFFAOYSA-N 439.490 5.437 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(C)cc2)=C(c2cc(C)ccc2C)C1=O 1863398968 GHYCBICWAIWQFB-UHFFFAOYSA-N 446.635 6.945 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(C)c(C)c2)C(=O)N(CCCOCC)C1=O 1863610202 GPYGQBQQEHXZIU-UHFFFAOYSA-N 442.644 5.540 30 10 IKEE C[C@@H](CC(=O)N[C@H](C(=O)Nc1cccc(C#N)c1)c1ccccc1)c1ccc(Cl)cc1 1866715020 PETJQLQLOJQYGL-XDHUDOTRSA-N 431.923 5.201 30 10 IKEE Cc1ccc(C(C)(C)CCC(=O)N[C@@H](C(=O)Nc2ccc(C#N)cc2)c2ccccc2)cc1 1866794922 OEUWTBYXESRRQK-AREMUKBSSA-N 439.559 5.421 30 10 IKEE CCCC[C@H](NC(=O)[C@H](c1ccc(OC)cc1)C1CCCC1)C(=O)Nc1cccc(C#N)c1 1867010151 CAAFDPVSORVDLR-DQEYMECFSA-N 447.579 5.154 30 10 IKEE Cc1ccccc1-c1nc(Nc2cccc(C#N)c2)cc(N2C[C@@H](C)Cc3ccccc32)n1 1868292797 MDMRCTMNQUYQFZ-IBGZPJMESA-N 431.543 6.398 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)C[C@H](c1ccc(C(C)C)cc1)C(C)C)c1ccccc1 1868703660 GEQBWTZPKLVEER-XCZPVHLTSA-N 446.635 5.998 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCC)cn1CCCCCCCCCC 1870695693 OMYDYVHPEKBLKE-UHFFFAOYSA-N 446.632 5.105 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc(C)c3C2=O)c1 1871373655 BTZAPWLKBXHBPG-FBHDLOMBSA-N 449.846 5.700 30 10 IKEE CCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccn2)C3=O)cc1 1871380006 RJVRVKWCHNGWKF-AIAZYAPSSA-N 427.456 5.024 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)CCOc4ccccc4)cc(C)c3C2=O)cc1 1871383117 DMKXHNOFOKCOFZ-JLPGSUDCSA-N 428.484 5.548 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4c(F)cccc4F)cc(C)c3C2=O)cc1 1871440907 NJEFHUVZJXZCES-UUYOSTAYSA-N 449.453 5.469 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1C 1871459209 LKWDVVNGSSNUDK-FMCGGJTJSA-N 433.891 5.591 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4cc(C)ccc4C)c3C)C2=O)cc1 1871460219 APHFNWGVKNOXLG-OYKKKHCWSA-N 443.499 5.254 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)CCCC 1872453903 YXWRUIIHFXMZHM-HXUWFJFHSA-N 429.026 5.010 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)CCOc3ccccc3)n2)cc1C(C)C 1872779360 IBORLHSBKMRDIO-OAQYLSRUSA-N 434.561 5.896 30 10 IKEE COc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 1872779448 KDPJNCJTQHQOJI-QFIPXVFZSA-N 426.497 6.101 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)c2ccc(OC(C)=O)cc2)n1 1872786021 BXJHGDROGQARRY-SFHVURJKSA-N 440.908 5.196 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCC(C)C)=C(c2ccc(-n3cccc3)cc2)C1=O 1873036769 WQVHYSVKBRJBJU-UHFFFAOYSA-N 449.639 5.944 30 10 IKEE C=CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1ccc(F)cc1 1874203016 GKIVNVOXQYRMCG-CVKSISIWSA-N 438.572 5.762 30 10 IKEE CCCSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1c[nH]c2ccccc12 1874224175 WIFWRDQULOXQCE-OVVQPSECSA-N 447.608 5.718 30 10 IKEE C=CCSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1ccc(F)cc1F 1874259405 XRMFGKIWUMWMEW-AFUMVMLFSA-N 428.508 5.248 30 10 IKEE C=C(C)CSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(OCC)cc1 1874269761 NGDYHAUVHBDVNB-WPWMEQJKSA-N 442.588 5.971 30 10 IKEE CCSc1nnc(CCCOc2ccccc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874316913 PXGQFIQTCRNQLT-OEAKJJBVSA-N 435.380 5.591 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OC)cc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874349359 HZUDSVBTGPQBKS-WYMPLXKRSA-N 447.391 5.735 30 10 IKEE C=CCSc1nnc(-c2ccccc2Cl)n1/N=C/c1cc(Br)ccc1O 1874367947 RYMJPMNLHODJDH-SRZZPIQSSA-N 449.761 5.227 30 10 IKEE Cc1ccccc1CSc1nnc(COc2ccccc2)n1/N=C/c1cccc(F)c1 1874382662 BCCNDVACDJCOQN-CVKSISIWSA-N 432.524 5.479 30 10 IKEE CCCOc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCCC)cc1OCC 1874418998 SBEFJDXCUUKKDW-XIEYBQDHSA-N 438.597 5.441 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1cccc(OCC)c1 1874478715 ODVFKVCTKNRLKR-BUVRLJJBSA-N 428.989 5.847 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1cccs1 1874485927 SXNOFDSPCRUNAX-UFFVCSGVSA-N 425.410 6.118 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C(C)(C)C)c1 1874485972 VQGFKFTWHFCWDA-BHGWPJFGSA-N 449.407 6.071 30 10 IKEE COc1cccc(/C=N/n2c(CC(C)C)nnc2SCc2cccc3ccccc23)c1 1874490619 ARIVQUOJASOVCK-WGOQTCKBSA-N 430.577 5.813 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CCC2)cc1 1874495886 KGIZGGUHGHZONH-MFKUBSTISA-N 441.000 6.162 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccc(CC)cc2)n1/N=C/c1cccc(Cl)c1 1874504008 FRNIJNBINFKDMO-ZVHZXABRSA-N 441.988 5.059 30 10 IKEE CCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccccc1O 1874542030 FZCAHMJXVQEFGZ-ZVHZXABRSA-N 444.988 5.260 30 10 IKEE Cc1ccc(C)c(COc2ccc(Cl)cc2/C=C/C(=O)c2ccc3c(c2)CCCC3)c1 1874572138 XSQIHTFHHORDOW-ACCUITESSA-N 430.975 7.311 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2ccc(C)cc2C)cc1 1874572378 KFUZJIVTQPUIRX-JQIJEIRASA-N 443.543 5.788 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(C)c(C)c2)c1OCC(=O)OCC(C)C 1874588360 IVIMIHUKBCASNA-CMDGGOBGSA-N 430.928 5.440 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2ccccc2OCc2cccc(F)c2)cc1Cl 1874588582 UGRLTZICPJUMPW-ZHACJKMWSA-N 426.871 5.971 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3cc(C)ccc3C)c(OC)c2)cc1 1874608645 ZLNBWPWCOMXWHD-MDWZMJQESA-N 432.516 5.804 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2OC)cc(OC)c1OCCc1ccccc1 1874611115 BJRPKCCAUVPAET-FOCLMDBBSA-N 428.528 5.950 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(OC)c1OCC(=O)N(CC)CC 1874613475 WGYJJHPXKHMHAL-OUKQBFOZSA-N 441.955 5.220 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2Cl)c1 1874613546 ZXBKMFLUUYCWJX-VZUCSPMQSA-N 440.326 6.215 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1cc(C)ccc1C 1874616741 PYTBVDWDFXWHOB-UKTHLTGXSA-N 429.516 5.534 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3C)c([N+](=O)[O-])c2)c1 1874618032 GQFYHOBCPRMQCU-ZRDIBKRKSA-N 444.487 5.434 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(OC)c1OCc1cccc(Cl)c1 1874626267 UXOKHGBSEHWPTC-RMKNXTFCSA-N 444.861 6.111 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1OCc1cccc(C)c1 1874629081 LFALNQYZBGVYRD-ZHACJKMWSA-N 448.990 7.366 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc(Cl)c1OCCCO 1874638026 DWWQKQFBVWCCNG-CSKARUKUSA-N 426.896 5.168 30 10 IKEE O=C(CSc1ccccc1)Oc1cccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1 1874695521 GJTBISKAXHTPBC-FMIVXFBMSA-N 443.351 6.587 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OC(=O)Cc1cc(C)ccc1C 1874698314 PWIRYISVKUMQEJ-ACCUITESSA-N 430.500 5.365 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3cccc(Cl)c3)ccc2OC)cc1 1874699143 GWHNMIHAOVRBJN-NTUHNPAUSA-N 436.891 5.863 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)c1 1874704672 WOVIHPIIBCMJJP-QFBGAIGZSA-N 446.930 6.262 30 10 IKEE Cc1ccccc1C(=O)Oc1cccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)c1 1874712760 PKPFWGUGWIRAFF-XMHGGMMESA-N 434.491 6.903 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OC(=O)CCc1ccccc1 1874716296 LVRHPPWRRAKXIH-JLHYYAGUSA-N 428.528 6.055 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2cccs2)CSc2nnc(-c3cccs3)n21 1874953570 GRGPKEHTZLUAPF-MRXNPFEDSA-N 446.667 6.130 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)ccc1OC(=O)Cc1ccc(F)cc1 1875102796 FKAJONBNUNOFNC-OQLLNIDSSA-N 432.491 5.831 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc(Cl)c2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 1875126747 VYIIMBAZZOIDAR-ONNFQVAWSA-N 442.254 6.017 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Br)c1OC(=O)CC(C)C 1875136860 KAYFLMQFVKOYTN-JXMROGBWSA-N 431.326 5.614 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 1875177105 VHUCIEOHCTXGSD-AWNIVKPZSA-N 445.471 5.726 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)c3ccccc3)c([N+](=O)[O-])c2)c(C)c1 1875182942 CPBMGPNFFMRXKT-ZAHGZRRWSA-N 443.499 6.125 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)C3CCCC3)c([N+](=O)[O-])c2)cc1Cl 1875188622 BCCOOYWXADNIMP-RMKNXTFCSA-N 429.856 5.249 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@H](C#N)[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1892785536 MYVPIDOTCRHYED-UXHICEINSA-N 441.572 5.105 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(C)cc(Br)c1F 1926708413 GMZHJSGOSDKSEX-HKUYNNGSSA-N 443.401 5.797 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)CC12CC2 1934117265 OUSZKFGSDISMKW-VWLOTQADSA-N 441.572 5.250 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCCCC[C@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1943924523 LQFFXEBCQNBTFK-FDDCHVKYSA-N 449.617 5.605 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1(C)C 1947975083 YDYMJYVIZFDIRH-HSZRJFAPSA-N 433.524 5.249 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)c1 2031660087 KDJFRMNMHAOSOY-HXUWFJFHSA-N 441.503 6.179 30 10 IKEE CCCCCCCCCC[C@@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)NC 2035443993 UZEIOKNRENLHPD-VWLOTQADSA-N 447.708 6.132 30 10 IKEE C[C@@H]1CSC(N(C(=O)C=Cc2cn(CCC#N)c3ccccc23)c2ccc(Cl)cc2)=N1 2040436186 HJXRDGQFLUOQQG-QGZVFWFLSA-N 448.979 5.746 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1scc(Br)c1C 2041205300 OLLMWWVUGOWJOW-HOTGVXAUSA-N 429.424 5.166 30 10 IKEE C=CCCCCC[C@@H](NCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2041904377 YYGMJKYDZZOZSX-SQHAQQRYSA-N 444.660 5.945 30 10 IKEE CCc1ccc([C@@H](n2nc(C(C)C)c(C#N)c2I)C(C)(C)C)cc1 2079043105 WFIKTWCXYCNJIN-GOSISDBHSA-N 435.353 5.681 30 10 IKEE Cc1ccc([C@H](C2CCC2)n2nc(C3CCC3)c(C#N)c2I)cc1C 2079131581 VWYDXHWGMBHVOI-FQEVSTJZSA-N 445.348 5.633 30 10 IKEE CC(C)c1ccc([C@H](C)n2nc(C(C)(C)C)c(C=NO)c2I)cc1 2079978976 JRCGJZDXGQDKBP-ZDUSSCGKSA-N 439.341 5.326 30 10 IKEE CCCc1ccc([C@H](CC)n2nc(C(C)C)c(C=NO)c2I)cc1 2080052720 CTBIBJZOWBGYBN-KRWDZBQOSA-N 439.341 5.371 30 10 IKEE C=CCCCCCCCC[C@H](N)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2086258935 JNJZSHDTRZFASC-RPLLCQBOSA-N 443.676 5.790 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCC[C@@H]2CSC[C@@H]21 2087834029 OOKKBIPOTZNISV-LIVBEALHSA-N 437.403 5.616 30 10 IKEE C=C([C@@H](NC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)C(C)(C)C 2096659381 AMPACWLJBSLAJP-QZTJIDSGSA-N 425.411 5.075 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)c(Br)c1F)NCC 2110508246 AMXSPKJQVVFKCB-HUUCEWRRSA-N 449.792 5.232 30 10 IKEE C=CCN(C[C@@H](Cc1cc(Cl)c(C)c(Br)c1)NCC)C(=O)OC(C)(C)C 2111272202 HSWZJMQLTACRNK-MRXNPFEDSA-N 445.829 5.355 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(C)cc(Br)c1 2134102893 DCQLKLISFDWUBC-OALUTQOASA-N 425.411 5.658 30 10 IKEE C#CCCN(C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Br)C1CCCC1 2180046453 XMBICBGCVRZAHJ-UHFFFAOYSA-N 435.362 5.204 30 10 IKEE CCCCC#CC[C@H](NCCC)c1cc(I)ccc1Br 2203826101 YQFPCNUSMGYFAU-KRWDZBQOSA-N 448.186 5.678 30 10 IKEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1sc(C)c(Br)c1C 2218930222 ATBWGFHUGJJBJO-ZBFHGGJFSA-N 429.424 5.085 30 10 IKEE O[C@H](c1cc(Br)c(Br)cc1F)C(C(F)(F)F)C(F)(F)F 2233970623 QRZBKHMCBXTMHL-SSDOTTSWSA-N 433.943 5.125 30 10 IKEE C=CC1(C[C@H](NCC)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)CCC1 2248460563 LBZPPWPTXGTEQG-QFIPXVFZSA-N 428.617 5.165 30 10 IKEE CCCCCCCCC[C@H](C)NC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C 2252953810 UYWIFAPEGVOAIP-IBGZPJMESA-N 443.673 5.523 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2257339277 KBGQXZSQAGWLRP-NOEFBULQSA-N 447.620 5.532 30 10 IKEE CC1(C)OB(c2ccc3nc(N(Cc4ccccc4)CC(F)(F)F)sc3c2)OC1(C)C 2264342544 AJJCJAGRYBAZDS-UHFFFAOYSA-N 448.319 5.164 30 10 IKEE C=CCCC1([C@@H](O)c2c(F)cc(C)cc2Br)CN(C(=O)OC(C)(C)C)C1 2266203255 PSOKGFHELVVQRK-KRWDZBQOSA-N 428.342 5.133 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)c1ccc(Cl)c(Br)c1 2275424770 OOABHYHNNMEBCD-FQEVSTJZSA-N 439.733 5.408 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2cc(Br)cc(C#N)c2)C[C@H]1C(F)(F)F 2279309762 AVACKMXHPHTYFX-HIFRSBDPSA-N 448.283 5.063 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(F)cc(Br)c1F 2288344017 FGRKFSOFJIJTIZ-AEFFLSMTSA-N 445.348 5.075 30 10 IKEE CCCCCCCCOc1ccc(C=C2SC(=S)N([C@@H](CC)C(=O)O)C2=O)cc1 2296018011 UJTFFZSBTHJEGC-SFHVURJKSA-N 435.611 5.490 30 10 IKEE CCCCOc1ccc(C(=O)C(=Cc2cccc(Cl)c2)c2nc3ccccc3o2)cc1 2296845254 PZLUQDFOQWCIRS-UHFFFAOYSA-N 431.919 7.084 30 10 IKEE Cc1ccccc1-n1c(NC(=O)C=Cc2ccccc2)c(C#N)c2nc3ccccc3nc21 2297470814 FOTKUPGUNLXXJI-UHFFFAOYSA-N 429.483 5.406 30 10 IKEE O=c1oc2ccccc2cc1-c1ccc(N=Cc2c(Br)ccc3c2OCO3)cc1 2297708591 XGCIWKABJLBPER-UHFFFAOYSA-N 448.272 5.702 30 10 IKEE C=CCC(CC=C)[C@@H](NCCC)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2301038093 WGRFMUHOJQBYIZ-DNQXCXABSA-N 429.649 5.148 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2311766761 MRBSZOGLNZZZAH-WYEJZRMESA-N 443.588 5.712 30 10 IKEE CC(C)c1ccc(C=CC=NNc2nc(=Nc3ccccc3)[nH]c(=Nc3ccccc3)[nH]2)cc1 2313530614 BVDRVHBTQDZKFX-UHFFFAOYSA-N 449.562 5.437 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCC)c2ccc(OCc3ccccc3)cc2)C1 2314452303 LUKVYQBFGADUIB-XMMPIXPASA-N 436.596 5.777 30 10 IKEE Cc1ccc(COc2ccc(C=C3SC(=Nc4cc(C)ccc4O)NC3=O)cc2)cc1 2314557172 QJZIBVUYXNBDQR-UHFFFAOYSA-N 430.529 5.480 30 10 IKEE COc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CC2)cc1O 2320873900 NPSBWINQBWJJAH-UHFFFAOYSA-N 430.533 5.197 30 10 IKEE Clc1cccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C2CC2)c1 2320892201 PUCSSHRXDAKJBA-UHFFFAOYSA-N 437.783 6.290 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(C)n2N=Cc2ccc(Cl)c(Cl)c2)cc1 2321106632 VDEVCIAXEWOAPO-UHFFFAOYSA-N 448.379 5.069 30 10 IKEE Sc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1cccc(Oc2ccccc2)c1 2322183763 MITPINXXRPVSKM-UHFFFAOYSA-N 444.604 6.000 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc4c3CN([C@H](C)C35CC6CC(CC(C6)C3)C5)CO4)C2=O)o1 2322261839 ANXMNZZWDIHMHS-LREROPASSA-N 445.559 5.961 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(C(C)(C)C)cc1)C3=O)CN(CCCOC(C)C)CO2 2322333382 MXISHCUXHQRORS-UHFFFAOYSA-N 449.591 5.876 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccccc2Cl)c1OCc1ccc(Cl)cc1 2322436593 AGAMAMRYOINPHL-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE CCc1ccc([C@@H](C)N2COc3c(cc4c(c3C)OC(=Cc3ccccc3)C4=O)C2)cc1 2322455444 CYPYMEVSGDDCPI-LJQANCHMSA-N 425.528 6.087 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(F)c(C)c2)c1OCC(=O)Nc1cc(C)ccc1C 2322638331 SWRPDUKMOCKGMB-UHFFFAOYSA-N 447.506 5.673 30 10 IKEE COC(=O)c1ccc(COc2cccc(C=CC(=O)c3ccc(Br)cc3)c2)o1 2323085991 FYKYWRYHKVBHPK-UHFFFAOYSA-N 441.277 5.304 30 10 IKEE COc1ccc(OC)c(C=C2Oc3c(ccc(OC(=O)c4ccc(C)c(C)c4)c3C)C2=O)c1 2323247907 CXBUERZNWBFZHM-UHFFFAOYSA-N 444.483 5.464 30 10 IKEE Cc1cc(OC(=O)c2ccc(Cl)c(Cl)c2)cc2c1C(=O)C(=Cc1ccc(F)cc1)O2 2323259312 LIETWNYLVAOJNB-UHFFFAOYSA-N 443.257 6.276 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc(Cl)c(Cl)c4)c3C)C2=O)cc1 2323259637 KRSQMNJGAVNAEG-UHFFFAOYSA-N 439.294 6.446 30 10 IKEE CCn1cc(C=C2Oc3cc(OC(=O)c4cccc(F)c4)ccc3C2=O)c2ccccc21 2323290953 XBGSSYIHPZJYCB-UHFFFAOYSA-N 427.431 5.636 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1OCc1ccccc1 2323378490 KCGXEABNUYTBME-UHFFFAOYSA-N 448.431 5.377 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3c(F)cccc3Cl)cc2)cc1OC 2323438041 KGEKWQOTODPMAB-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)cc(Cl)c1OCCc1ccccc1 2323496159 GOWKHDXREMYIGX-UHFFFAOYSA-N 436.935 6.265 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc3C2=O)c1 2323629666 DZEUMFLBICYJJN-UHFFFAOYSA-N 428.484 5.865 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 2323676377 PXQONDNCJGPCAQ-UHFFFAOYSA-N 438.823 5.632 30 10 IKEE C[C@H](Oc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O)C(=O)Nc1ccc(F)cc1 2324305864 XINUJJNEUKOXSF-AWEZNQCLSA-N 437.854 5.501 30 10 IKEE COc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 2324331704 KYNXLGQWAGMAHZ-DEOSSOPVSA-N 436.536 6.375 30 10 IKEE Cc1ccc(OCCOc2ccc3c(c2C)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)cc1 2324538693 JXNRJUPQPNMYGG-UHFFFAOYSA-N 431.444 5.286 30 10 IKEE Cc1ccc(OCCCOc2cc(C)c3c(c2)OC(=Cc2ccc4c(c2)OCO4)C3=O)cc1 2324545816 MPCQKUNSRVIYEJ-UHFFFAOYSA-N 444.483 5.496 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1C 2324631063 PYNVKLOZBXZGAC-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3cc(Cl)ccc3Cl)cc2)o1 2324651786 RDQIQANMWJOYGT-UHFFFAOYSA-N 445.298 6.238 30 10 IKEE N#C[C@H](C(=O)C=Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(F)c(F)c2)cs1 2324688267 LTDRVMVISQZFCZ-CYBMUJFWSA-N 435.282 6.285 30 10 IKEE Cc1cc(C)c(COc2ccc3c(c2C)OC(=Cc2ccc4c(c2)OCO4)C3=O)cc1C 2324765233 RPIOEFOYWDNUTA-UHFFFAOYSA-N 428.484 5.844 30 10 IKEE CCCCCOc1ccc(C=Nn2c(CC)nnc2SCc2ccc(Cl)cc2)cc1 2325603994 KKIYRACRLSUIOG-UHFFFAOYSA-N 443.016 6.237 30 10 IKEE Cc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc4ccccc4c3)c2)cc1[N+](=O)[O-] 2325700685 MWBLDZXXABRZIN-UHFFFAOYSA-N 437.451 6.172 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3ccc(C)c(C)c3)c2)cc1OC 2325703530 UUZAMNAYPJXBRG-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE COc1ccc(C(=O)Oc2cccc(C=CC(=O)c3cc(C(C)C)c(OC)cc3C)c2)cc1 2325753988 OFOFKCSSBRGJQI-UHFFFAOYSA-N 444.527 6.251 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC(=O)Cc2ccccc2F)c1 2325765553 LMWZGLANFUMTIE-UHFFFAOYSA-N 430.519 6.476 30 10 IKEE Cc1nnc(SCc2ccccc2)n1N=Cc1ccc(OC(C)C)c(Br)c1 2326211681 LLAWCSIIHUEJJY-UHFFFAOYSA-N 445.386 5.311 30 10 IKEE CCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1cc(Cl)c(OC)c(Cl)c1 2326592210 RPRNMHRUDUZZBC-UHFFFAOYSA-N 449.407 5.947 30 10 IKEE CCCc1ccc(OCc2nnc(SC)n2N=Cc2ccc(Cl)c(Cl)c2)cc1 2327320729 UAILHXJYQDDEBW-UHFFFAOYSA-N 435.380 5.721 30 10 IKEE CCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccc(Cl)c(Cl)c1 2327543727 GVJXFMHAITYWIX-UHFFFAOYSA-N 441.771 5.812 30 10 IKEE COc1cccc(CCc2nnc(SCc3ccc(C)cc3)n2N=Cc2cccs2)c1 2328603440 HUFJEQFIPZVOJV-UHFFFAOYSA-N 448.617 5.616 30 10 IKEE CCCCOc1ccc(C=Nn2c(Cc3ccc(OC)cc3)nnc2SCCC)cc1 2329284216 DGAQKDPZFBXVOI-UHFFFAOYSA-N 438.597 5.441 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2)n1N=Cc1ccc(OCC)c(OC)c1 2330193854 ORUMGQCLORUCEG-UHFFFAOYSA-N 436.581 5.021 30 10 IKEE Cc1cccc(CSc2nnc(CC3CCCCC3)n2N=Cc2ccc(Cl)cc2)c1 2330246167 JVYQVXWKUWCSIY-UHFFFAOYSA-N 439.028 6.537 30 10 IKEE Cc1ccccc1C=Nn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccccc1 2330642747 QHHQYAOODBSXDR-UHFFFAOYSA-N 445.523 5.006 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)CC(C)C)c(OCC)c2)cc1 2330835301 SBFUMWPTSPXNLS-UHFFFAOYSA-N 442.983 6.929 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(C)c3)cc2[N+](=O)[O-])c1 2330866750 VNNRXECSXAVRGA-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2)ccc1OC(=O)c1ccc(CC)cc1 2330874478 AZBJNHBVEDIJRZ-UHFFFAOYSA-N 444.527 6.080 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OC(=O)c1c(F)cccc1Cl 2331108685 VFAYIKZEGYRILI-UHFFFAOYSA-N 446.808 5.881 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1 2331260038 HGIMAIIYEVNOEH-UHFFFAOYSA-N 445.729 7.071 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 2331293406 HHLJBYRZBYOKPW-UHFFFAOYSA-N 430.544 6.022 30 10 IKEE CC(C)Cc1nnc(SCc2ccccc2)n1N=Cc1cc(Br)ccc1O 2331453888 VUCLMLIMQLKADN-UHFFFAOYSA-N 445.386 5.119 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(N(C)C)cc3)c(Cl)c2)cc1 2331494045 BFMFZMWJQMZFAH-UHFFFAOYSA-N 447.962 6.645 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)Cc2ccc(C)c(C)c2)cc1 2331659382 VMPVGQLWWZLPTL-UHFFFAOYSA-N 428.528 5.973 30 10 IKEE CC(C)c1nnc(SCCc2ccccc2)n1N=Cc1cc(Br)ccc1F 2331703452 JPECLDOCFCBBAN-UHFFFAOYSA-N 447.377 5.520 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)ccc1OC(=O)CC(C)(C)C 2331758461 HSGWHTSRXZGEGR-UHFFFAOYSA-N 444.955 6.293 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)cc(OC)c1OC(=O)C(C)C 2331863983 YDFNFZISEXFODV-UHFFFAOYSA-N 433.331 6.188 30 10 IKEE CCOC(=O)c1sc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)c(C#N)c1C 9297831 VADHIJHMLXGQNL-UHFFFAOYSA-N 447.541 5.634 30 10 IKEE N#CCCn1cc(/C=C(\CCC(=O)O)c2nc3ccccc3s2)c(-c2ccccc2)n1 9491813 NORFXVIFKOOPFM-OBGWFSINSA-N 428.517 5.479 30 10 IKEE COc1ccc([C@H]2C3=C(C[C@@H](c4cccs4)CC3=O)Nc3nc4ccccc4n32)cc1 17095486 DGRSBUVZBMAPHZ-GYCJOSAFSA-N 427.529 5.522 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2F)cc1 21238860 FCZNGMWZIUOPOR-WHLCRQNOSA-N 442.534 6.594 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)Nc3ccc(OCCCC)cc3)ccc21 22508627 KOCRHXGIXVQPJI-UHFFFAOYSA-N 437.540 5.447 30 10 IKEE COc1ccc(C)cc1NC(=O)[C@@]12CC[C@@](C)(/C(=N\OC(=O)c3ccc(C)cc3)C1)C2(C)C 33960385 PJGBTHINWVTGOE-GLLGEUJBSA-N 448.563 5.680 30 10 IKEE COc1ccc(C(=O)/C=C\c2ccc(OC(=O)/C=C/c3ccccc3)c(OC)c2)c(OC)c1 34955176 MNSCIUQKCIEYPT-RAGUBQOCSA-N 444.483 5.227 30 10 IKEE CCCCCCOc1ccc(C(=O)N(CCC#N)Cc2ccccc2)cc1Br 36563543 BSWNJYVXAVVVDI-UHFFFAOYSA-N 443.385 5.964 30 10 IKEE COc1ccc2sc(Nc3sc4c(c3C#N)CCN(Cc3ccccc3)C4)nc2c1 36645647 NBMHKLHCAYENQR-UHFFFAOYSA-N 432.574 5.540 30 10 IKEE Cc1c(C(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)c(O)n([C@H](C)c2ccccc2)c(=O)c1C#N 38623323 ABSGIQRDSWKQSC-RTBURBONSA-N 444.531 5.117 30 10 IKEE Cc1ccc(/C=C2/S/C(=N/c3nc(-c4ccccc4)cs3)N(c3ccccc3)C2=O)o1 39865956 CJTLTYUYQXRKSI-DRMKFXMXSA-N 443.553 6.520 30 10 IKEE O=C1/C(=C\c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)COc2ccccc21 96767385 OPMTUKYFMMVCPK-UQQQWYQISA-N 448.518 6.503 30 10 IKEE CCCc1cc2c3c(c(=O)oc2c(C(=O)/C=C\c2cc(OC)cc(OC)c2)c1O)CCCC3 98037173 BJMHFODKSBTTIZ-KHPPLWFESA-N 448.515 5.243 30 10 IKEE CCCCCCCCC[C@H](NCC)c1cc(Br)sc1Br 115856736 AIJSEYBTDDMJLP-AWEZNQCLSA-N 425.274 7.064 30 10 IKEE CCC(C)(C)[C@H]1CCc2nc(SCC(=O)N3CCc4ccccc4C3)c(C#N)cc2C1 145607421 VGWZLSAFMVKGER-QFIPXVFZSA-N 433.621 5.171 30 10 IKEE N#Cc1cccc(Cn2c(Cc3cccc(Cl)c3)nc3sc4c(c3c2=O)CCC4)c1 169905352 LPLPSFWMMZOJRQ-UHFFFAOYSA-N 431.948 5.111 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(O)cc2)cc1 169958135 UJORZJSXSQOLHC-HSZRJFAPSA-N 431.463 5.438 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(O)cc2)c(C)c1 169963011 ZHSSIOHZDUJQSG-JOCHJYFZSA-N 433.891 5.445 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2cccs2)=C(N(CC)c2ccccc2)C1=O 170017675 XVVSDOXAVSGGQF-UHFFFAOYSA-N 438.637 6.495 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2cccc(O)c2)cc1 170081520 PODZFZPVVZKCJN-QFIPXVFZSA-N 449.890 5.227 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)o1 170100983 FBKXJOKRZCJPAU-NRFANRHFSA-N 439.870 5.780 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2C2CCCCC2)c1 170119128 WINBCXNQDKFCDL-HSZRJFAPSA-N 430.504 5.088 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C2CCCCC2)c1 170119300 AITYKWVJBPUWNJ-NRFANRHFSA-N 425.912 5.260 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@H]1c1ccc(C(C)(C)C)cc1 170150271 QYIIVFILQVLKEH-HSZRJFAPSA-N 433.548 5.297 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(Cl)c3)[C@@H]2c2cccnc2)cc1 170185918 AUCLFLCWVHRPBR-QFIPXVFZSA-N 448.906 5.089 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccccc2)cc1C 170225598 BBYBQWBFIBWCHL-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1F)c1ccc2c(c1)CCCO2 170248308 RDNUFCWHLAUXTA-QHCPKHFHSA-N 447.437 5.073 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2F)cc1C 170248348 MGWUZDKHSGAHTC-HSZRJFAPSA-N 449.453 5.373 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2F)cc1C(C)C 170249106 FTCGVAHZHUKLBX-DEOSSOPVSA-N 445.490 5.741 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccco2)cc1 170292389 ACIRVKGFDUCEOF-HSZRJFAPSA-N 446.503 5.022 30 10 IKEE C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OCCC)cc3)=C(O)C(=O)N2CCC)c1 170324396 IPHMVYRAYQQXSE-QHCPKHFHSA-N 435.520 5.029 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)[C@H]1c1ccccc1F)c1cccs1 170382315 FNFHBAQXFFCXTO-SFHVURJKSA-N 447.409 5.689 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1cccc(Oc2ccccc2)c1 170455984 DJFKTNWJLZPVGL-RUZDIDTESA-N 445.490 6.133 30 10 IKEE O=C(C[n+]1ccc(CCSc2ccc(F)cc2)cc1)c1ccc2c3c(cccc13)CC2 222382353 XIAMLYVJJUFLRM-UHFFFAOYSA-N 428.552 5.583 30 10 IKEE N#Cc1ccc(Nc2ccc(Cl)cc2I)cc1Br 232245151 HDPNIXJHAYUAJM-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE C=CCOc1ccc(/C=C2\SC(=Nc3ccc(OCC)cc3)N(CC)C2=O)cc1Cl 252620339 MCCPLJFOMYLEGK-XOLKAKTPSA-N 442.968 5.927 30 10 IKEE Cc1cc(C=Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c(O)c([N+](=O)[O-])c1 254293554 WWTSLEJFMRAPHO-UHFFFAOYSA-N 431.492 5.909 30 10 IKEE Cc1ccc(N=C2S/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(C)cc2)cc1 254448883 LVRAFANJAQSBKR-LAJNNLEESA-N 429.501 6.020 30 10 IKEE CCOC(=O)c1ccc(-c2ccc(C=NNc3oc(-c4ccccc4)nc3C#N)o2)cc1 254572411 FJMTUIRXAHZYMW-UHFFFAOYSA-N 426.432 5.096 30 10 IKEE Cc1ccc2nc(-c3ccc(C)c(N=Cc4cc([N+](=O)[O-])cc([N+](=O)[O-])c4O)c3)oc2c1 254792699 ZTVGOTRUOQKSSX-UHFFFAOYSA-N 432.392 5.384 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(C)c(Br)c1)NCC 407838915 ZHTOTSIZAMHEGH-RBUKOAKNSA-N 425.411 5.138 30 10 IKEE CC(C)COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccncc2)cc1 526604596 JIFJVEUJYTZQBX-XMMPIXPASA-N 425.488 5.045 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1/N=C\c1ccc(Br)cc1 526802325 DFVNFEINKBTGIA-UUYOSTAYSA-N 433.350 5.307 30 10 IKEE CCOc1ccc(/C=N\n2cnnc2SCc2cc(C)ccc2C)cc1Br 526818656 UDFHIFOXFKTRJN-KSEXSDGBSA-N 445.386 5.231 30 10 IKEE CCCCCCCCC[C@@H](CCOC(=O)c1ccccc1)S(=O)(=O)Nc1ccccc1 585667966 CDVOMUMBOLPTFU-DEOSSOPVSA-N 445.625 6.185 30 10 IKEE CC(C)(C)c1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2F)cc1 586251362 LQKRJXBUFWBNIL-UHFFFAOYSA-N 440.515 5.529 30 10 IKEE CCCCCCCCC[C@@H](CN)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 698254085 ZMPXFKBCJLRIAL-FQEVSTJZSA-N 441.454 6.659 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]([C@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)C1 698869324 LUFUDTOXYBMDJH-MWTRTKDXSA-N 433.524 5.106 30 10 IKEE C[C@@H]1CC(=NOC(=O)c2ccccc2F)c2ccc(OC(=O)c3ccccc3F)cc2C1 1083992497 UACDJTUITHKZCY-HNNXBMFYSA-N 435.426 5.327 30 10 IKEE CC(=O)C(=NNc1cccc(C)c1)Sc1ncc(-c2ccccc2)n1-c1ccccc1 1084401319 HQYBYQDOIFLEHF-UHFFFAOYSA-N 426.545 5.954 30 10 IKEE COc1cccc(C=Nc2ccc3nc(SCCOc4ccccc4)sc3c2)c1O 1084454210 GYBZTKQELWKJST-UHFFFAOYSA-N 436.558 5.932 30 10 IKEE CCCN(CC1CC1)/C(=N/Cc1cc(Br)ccc1F)Nc1cccc(O)c1 1088652349 HTHAWGKZPKTAOO-UHFFFAOYSA-N 434.353 5.384 30 10 IKEE N#Cc1ccccc1NC(=O)c1cc(-c2cccc3ccccc23)n(Cc2ccccc2)n1 1859391558 AYNZOBNEPOJEAY-UHFFFAOYSA-N 428.495 5.876 30 10 IKEE O=C(/C=C/c1ccc([N+](=O)[O-])s1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1 1860729215 BJHNZQQOHVEFKA-PKNBQFBNSA-N 442.880 5.110 30 10 IKEE CCSc1ccc(Cl)cc1CC(=O)NCCCCCC(=O)Nc1ccc(C#N)cc1 1860895299 UNIVXQQFGJHCFT-UHFFFAOYSA-N 444.000 5.181 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)CCc1ccc(OC)c(OC)c1 1861082489 HATBLSHQMDKXOX-JOCHJYFZSA-N 448.648 5.178 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](C)NC(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1 1861422718 YQJVQAVCDQCDNX-FQEVSTJZSA-N 448.611 5.605 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2cccc(F)c2)cc1 1862391202 VRPWIFAQYCLJNL-DEOSSOPVSA-N 444.506 5.342 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2ccc(OC)c(O)c2)cc1 1862395881 APBLDBBGQGOKFQ-MWTRTKDXSA-N 437.536 5.120 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)c1 1862402238 UHKKIAICZSLETL-QVJSAIJNSA-N 449.547 5.169 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(O)c1 1862444188 XMVQNMXGJYYDSL-OYHNWAKOSA-N 433.891 5.385 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2Br)cc1 1862487437 ATSYNLKZAFSTRP-HXUWFJFHSA-N 440.337 5.278 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2cccc(F)c2)c1 1862489734 ZYXPRJDHHYGXOT-HSZRJFAPSA-N 449.909 5.874 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN3CCCC3)[C@@H]2c2ccc(C)cc2)cc1 1862533427 MMAZUNYIHIGZLP-RUZDIDTESA-N 446.591 5.012 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccc(OC(C)C)c(OC)c2)cc1 1862541854 VEGVXADTMSHXIV-HSZRJFAPSA-N 437.536 5.032 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2ccc(C)cc2)cc1 1862554530 FGLAOJDAXCIQMB-AVRWGWEMSA-N 440.543 5.479 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccc(Cl)cc2Cl)cc1F 1862645838 ROLSOYWGSSERPT-GOSISDBHSA-N 438.282 5.128 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccccc1F)c1cccc2ccccc12 1862649691 DJKGAEUHSNPPKA-VWLOTQADSA-N 443.518 6.280 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(Cl)cc2)[C@@H]1c1ccccc1F)c1ccc(F)cc1 1862674615 ZIMIVIDHUAMJHM-OAQYLSRUSA-N 439.845 5.397 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc2ccccc12)c1ccc(F)cc1 1862678098 NZHUBEJWGFSEHK-DEOSSOPVSA-N 438.458 5.152 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@H]2c2ccc(C)cc2)c1 1862698513 JCDABJGWOLGXQJ-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862718361 YTZIDKBPXNGICT-QHCPKHFHSA-N 444.487 5.372 30 10 IKEE CCc1ccc(NC2=C(c3cccc4ccccc34)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862850770 ZUMAGOBADMDXPB-UHFFFAOYSA-N 443.506 5.670 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C)c(Cl)c3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862905447 NZGNRYQFOVPRAO-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CCCCCCCCN1C(=O)C(NCCc2ccccc2)=C(c2ccc(Cl)cc2)C1=O 1863534296 PMHRIGBRXOENMT-UHFFFAOYSA-N 438.999 5.613 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N[C@H](Cc1ccc(C)cc1)C(=O)O 1866029643 YICIGGABCZDNDU-AREMUKBSSA-N 445.688 7.368 30 10 IKEE CCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CN1CCc2ccccc2C1 1870609871 PFIIBQNHIYEUGM-UHFFFAOYSA-N 436.640 6.112 30 10 IKEE C=CCn1cc(OCCCCCCC)c(=O)cc1CNc1ccc(Oc2ccccc2)cc1 1870833425 IGHKBIZQBKCLDQ-UHFFFAOYSA-N 446.591 6.788 30 10 IKEE CCCCCCCOc1cn(Cc2ccccn2)c(CNc2ccc3[nH]ncc3c2)cc1=O 1870838100 OOSZPQFUIAFVLQ-UHFFFAOYSA-N 445.567 5.129 30 10 IKEE C=CCn1cc(OCCCCOc2ccccc2C)c(=O)cc1CNc1ccc(CC)cc1 1871227842 ICEVGXQZLJAJPZ-UHFFFAOYSA-N 446.591 5.755 30 10 IKEE Cc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCC(C)C)cc1C 1871252129 MDUVIRPXEYGKHO-UHFFFAOYSA-N 429.564 5.574 30 10 IKEE N#Cc1ccccc1COc1cc(-c2ccc(Br)cc2)c2oc(=O)sc2c1 1871287831 WJVLOJYAPHPLMF-UHFFFAOYSA-N 438.302 5.735 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(N(C)C)cc1)O3)CN(C1CCCCCC1)CO2 1871351943 IYLVOBYTWSUHMA-IWIPYMOSSA-N 432.564 5.552 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2C)C1=O 1871374962 MAZPSPHPVMSCNI-XKZIYDEJSA-N 429.428 5.355 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OCCOc4ccc(C)cc4)c3C)C2=O)c1OC 1871405972 ONWKKCRQFJAEBP-JLPGSUDCSA-N 446.499 5.395 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871407907 NRHKYZLLMUCLGM-PGECNJAHSA-N 447.918 5.979 30 10 IKEE Cc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccccc1F)C2=O 1871409476 OXRZONLJDZMWKO-SUVVMJBMSA-N 431.463 5.465 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(O[C@H](C)C(=O)Nc4cc(C)ccc4C)c3C)C2=O)cc1 1871412692 ZFIBSOIJFOAPBO-UQEONJGVSA-N 441.527 5.942 30 10 IKEE C=CCOc1ccc2c(=O)c(Oc3ccccc3Br)c(C(F)(F)F)oc2c1 1871415154 UVDDYZKSXBUSDL-UHFFFAOYSA-N 441.199 5.931 30 10 IKEE CCc1ccc(NC(=O)[C@@H](CC)Oc2ccc3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1 1871425002 CWAUVQRSOHJFKQ-UTZZCCADSA-N 441.527 5.970 30 10 IKEE CCCCCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 1871427067 LYNOHPLDYRPXJP-ONUIUJJFSA-N 442.511 6.082 30 10 IKEE CCCCCCCCCOc1ccc2c(=O)c(-c3cccc4c3OCCCO4)coc2c1 1871429638 LZRXEIQNIRHKFJ-UHFFFAOYSA-N 436.548 6.751 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccncc1)C2=O 1871430362 ITTFUFAKHTZASA-GFHXCNCHSA-N 428.488 5.029 30 10 IKEE CC(=O)Nc1ccc(C(=O)COc2cc(C)c3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871432673 LWHWEAKOVKDGNM-MXAYSNPKSA-N 441.483 5.140 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(O[C@H](C)C(=O)Nc4ccc(C#N)cc4)c3C)C2=O)cc1 1871436263 SIHUGXPUTQLENO-YNJLWJOVSA-N 438.483 5.197 30 10 IKEE C=CCN(CC=C)c1nc(=NCc2ccccc2C)nc(Nc2ccc(Cl)c(C)c2)[nH]1 1871663742 LHTWCICRAZPUIF-UHFFFAOYSA-N 434.975 5.098 30 10 IKEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(=O)(=O)CCC 1872203685 FHKFOAQIPLYBBK-XMMPIXPASA-N 442.625 5.243 30 10 IKEE CCc1ccc(-c2csc([C@H](C#N)C(=O)CCCCCNC(=O)c3ccccc3)n2)cc1 1872761503 OTINWVIZDKCWJQ-JOCHJYFZSA-N 445.588 5.539 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1OC 1872763583 PKPWNUKXRSYVSD-YDMXYTAQSA-N 449.488 5.015 30 10 IKEE N#C[C@@H](C(=O)c1cccc(Oc2ccccc2)c1)c1nc(-c2c[nH]c3ccccc23)cs1 1872777107 GSZGVXSJQOZZIF-NRFANRHFSA-N 435.508 6.574 30 10 IKEE CCc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2cc(Cl)cc(C)c2OC)cs1 1872786710 QGSDIUDNHCRBQS-GOSISDBHSA-N 440.952 5.598 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H](CC)CCCCC)=C(c2ccc(F)c(C)c2)C1=O 1873153328 WOULNVJWAKEQOU-JOCHJYFZSA-N 444.635 6.523 30 10 IKEE CCOc1cc(/C=N/Nc2ccc(Br)cc2)ccc1OCc1ccccc1 1873498719 FESDZYDHFZFPJF-BUVRLJJBSA-N 425.326 5.873 30 10 IKEE FC(F)(F)c1nnc(S)n1/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1873499677 IIOXWFYDBQBZKW-LIMNOBDPSA-N 447.269 5.354 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(Cl)c2)cc2c(NCc3ccc(F)cc3)ncnc21 1873611550 GQLBAFQITQQCHS-UHFFFAOYSA-N 435.890 5.274 30 10 IKEE N#Cc1ccccc1NC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCCC2 1873868955 YMTNDROHOPXGQR-VWLOTQADSA-N 441.575 5.772 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccc(CC)cc1 1874214113 WAWYUHPCYNNBAA-KOEQRZSOSA-N 441.000 5.666 30 10 IKEE CSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc(Cl)c(Cl)c1 1874233417 HSOWELRENBQFCA-AFUMVMLFSA-N 441.387 6.127 30 10 IKEE C=C(C)CSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccccc1Cl 1874255323 VRBCGXRACMSTKL-BRJLIKDPSA-N 441.000 5.986 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCCOc3ccccc3)n2/N=C/c2ccco2)c1 1874315990 VWGWIIJZWSFZOV-YZSQISJMSA-N 446.576 5.674 30 10 IKEE C=CCSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1ccc(Br)cc1 1874359729 WIQKWOCIUHBJMX-OEAKJJBVSA-N 441.398 5.409 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3F)n2/N=C/c2sccc2C)c1 1874374717 KTYVNEAHLWPFOI-AFUMVMLFSA-N 436.581 5.861 30 10 IKEE Fc1ccc(Cc2nnc(SCc3ccccc3F)n2/N=C/c2cccs2)cc1 1874379590 APGDKDGWRZZIJQ-ZMOGYAJESA-N 426.517 5.383 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccccc3)n2/N=C/c2sccc2C)c1 1874383492 CMVGFHCQQDLNEZ-ZVHZXABRSA-N 434.590 5.710 30 10 IKEE Cc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCc2cc(C)ccc2C)cc1 1874412086 BFCKVPMOFXYBKQ-MFKUBSTISA-N 432.618 6.030 30 10 IKEE C(=N/n1c(SCc2cccc3ccccc23)nnc1-c1cccs1)\c1ccncc1 1874423778 FAWQABIXSKMACQ-MFKUBSTISA-N 427.558 5.729 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(SCc2ccccc2Cl)nnc1C(C)(C)C 1874484264 NJXCSHWNUFQNFB-AFUMVMLFSA-N 443.016 6.191 30 10 IKEE COc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2cccc(Cl)c2)c(OC)c1 1874491164 CDUHVSMWWJYQPC-ZMOGYAJESA-N 444.988 5.322 30 10 IKEE COC(=O)c1ccc(CSc2nnc(C(C)C)n2/N=C/c2ccc(C(C)(C)C)cc2)o1 1874513195 LQQWZYWPOHPNRB-ZMOGYAJESA-N 440.569 5.253 30 10 IKEE Cc1ccccc1COc1ccc(/C=N/n2cnnc2SCCc2ccccc2)cc1 1874538851 AMMHADFVHMDZPX-WPWMEQJKSA-N 428.561 5.383 30 10 IKEE O=C(/C=C/c1c(OCc2ccccc2Cl)ccc2ccccc12)c1ccc2ccccc2c1 1874571607 WSJAAZJVOGIGGW-WUKNDPDISA-N 448.949 8.122 30 10 IKEE COc1cc(Br)cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1OCCO 1874579631 YTVMCZXNHDNBCZ-HWKANZROSA-N 446.124 5.032 30 10 IKEE C=CCOc1c(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)cc(Cl)cc1OC 1874586829 GZICQBPJRPTYLT-AATRIKPKSA-N 427.711 6.125 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCc2ccccc2Cl)c2ccccc12 1874591909 IFGRAMYXWPXEDN-JQIJEIRASA-N 428.915 6.977 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC)c(OCc3ccc(C)cc3)c2)c1 1874599589 UQBFPEGQSPNSBC-SDNWHVSQSA-N 446.543 6.276 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OCCc3ccccc3)c(OC)c2)cc1C 1874607441 OLZHDOQPPXRGLL-PKNBQFBNSA-N 436.935 6.183 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1F 1874623424 BXNQSWWXZQATBE-BJMVGYQFSA-N 426.871 5.971 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc3ccccc23)cc1)c1cc(Cl)ccc1Cl 1874637630 JSDKCCOJPCHPEV-XNTDXEJSSA-N 433.334 7.622 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccccc3OC)c2)cc1 1874695435 ARWOEIMRSAJZDK-GHRIWEEISA-N 444.527 6.162 30 10 IKEE Cc1cccc(C)c1OCCCC(=O)Oc1cccc(/C=C/C(=O)c2cccc(Cl)c2)c1 1874699446 VSUHIGLBJZCDKW-CCEZHUSRSA-N 448.946 6.618 30 10 IKEE CCOc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(F)c(F)c3)c2)cc1 1874710579 FCHZKJZBXLDTGW-AWNIVKPZSA-N 438.426 5.244 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)CC3CCCCC3)c2)c(OCC)c1 1874714568 CLRZADRBJJZMFD-DTQAZKPQSA-N 436.548 6.256 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(OC)c1OC(=O)c1ccccc1F 1875104269 OKZQKPNZQWNYIG-BUHFOSPRSA-N 446.474 5.687 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1 1875117255 LFCRYDVLOZTHFV-PJQLUOCWSA-N 435.863 5.683 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(C)c3)c(Br)c2)cc1 1875133370 RMLCSZUVWNDIBJ-XYOKQWHBSA-N 435.317 6.181 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC(=O)CCc1ccccc1C 1875144288 NWZVQBOLGIXPBR-JLHYYAGUSA-N 444.527 5.755 30 10 IKEE C[C@@H](C(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1Cl)c1ccccc1 1875146429 UMZVWYWENVZYSX-PYUISTEWSA-N 448.902 5.716 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2)CC1 1875156239 QPHHUBMOTFMGMJ-RGVLZGJSSA-N 432.604 7.608 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)ccc1OC(=O)c1ccco1 1875180130 NHQLYJGABNOHRB-SOFGYWHQSA-N 426.852 5.374 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)c1ccccc1F 1875185970 XZYBJTCOSIFPAG-SDNWHVSQSA-N 446.518 6.556 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc(OC)c1OC(=O)C1CCCC1 1875190335 UJNNYLIEUVJFQE-OUKQBFOZSA-N 448.559 6.041 30 10 IKEE Cc1c(CC(=O)O)cc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1N=[N+]=[N-] 1887520705 CUTSSMRSMNERTR-UHFFFAOYSA-N 428.448 5.925 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc([C@](C)(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)c1 1912175021 HIXZMIUPIRCMLH-NRFANRHFSA-N 430.509 5.320 30 10 IKEE C[C@@H]1[C@H](Nc2cc(Br)c(C#N)cc2F)CC(C)(C)CN1Cc1ccccc1 1916248942 XELIGTSBDUBRSA-QVKFZJNVSA-N 430.365 5.561 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)C(C)(C)n1cc(NC(=O)OC(C)(C)C)cn1 1922106754 GLSPBFHNOXBUKP-JOCHJYFZSA-N 442.604 5.106 30 10 IKEE CCCCCCCCCCC(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1947491979 NNSFERPVVWLDKA-HSZRJFAPSA-N 433.633 6.587 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1999937481 BJLYCARCFBVZFC-WAIKUNEKSA-N 449.979 5.621 30 10 IKEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(C)sc(C)c1Br 2027395880 ROKCGWOTXKWGQQ-PBHICJAKSA-N 429.424 5.085 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Cl)c(NCc2occc2B2OC(C)(C)C(C)(C)O2)c1 2039819531 SLQSLWYHMWNCRN-UHFFFAOYSA-N 448.756 5.191 30 10 IKEE Cc1ccc(N=C2NC(=O)C(=Cc3ccc(Sc4ccc(Cl)cc4)o3)S2)c(C)c1 2040582428 YUUSNIORDCAQLF-UHFFFAOYSA-N 440.977 6.593 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CC[C@H](C)C[C@@H]2OCc2ccccc2)cc1 2043779043 ZUUXYLXRCOITJP-DDZLNHKNSA-N 434.580 6.404 30 10 IKEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2045242571 YYFVRARKVJESCH-XDHUDOTRSA-N 447.551 5.497 30 10 IKEE Cc1ccc([C@@H](C2CCC2)n2nc(C3(C)CC3)c(C#N)c2I)c(C)c1 2079051089 YPBXSXXXUSYVTG-GOSISDBHSA-N 445.348 5.417 30 10 IKEE N#Cc1c(C2CC2)nn(Cc2ccc(C(F)(F)F)cc2Br)c1Br 2080278223 WQLRKXXSRBKHPQ-UHFFFAOYSA-N 449.068 5.224 30 10 IKEE C#CCN(C[C@@H](NCCC)c1cccc(Br)c1Cl)C(=O)OC(C)(C)C 2081393300 WLDMCLBSIVZWKJ-MRXNPFEDSA-N 429.786 5.014 30 10 IKEE COc1c2c(nc3c(-c4nc(C(F)(F)F)ccc4F)c(C(F)(F)F)nn13)CCCCC2 2081502302 DWZRSDAXZOSGHM-UHFFFAOYSA-N 448.342 5.246 30 10 IKEE C=CCCCCCC[C@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2085848328 YYPUUEPNXKBJCL-HVCNVCAESA-N 446.676 6.380 30 10 IKEE C=CC[C@@H](CNC(=O)OC(C)(C)C)COc1cc(Br)ccc1C(F)(F)F 2137388461 YZOMZYMLNJNXHJ-LBPRGKRZSA-N 438.284 5.564 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CC12CCC(C#N)(Nc1ccccc1Br)CC2 2158275034 AOKQBSZSCSFGTR-TVRCVXMWSA-N 434.378 5.228 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1c1cc(Br)ccc1C#N 2174812313 JUHFILNHTWRRDM-QZTJIDSGSA-N 434.378 5.079 30 10 IKEE C=CCC1([C@@H](NCCC)c2cccc(Br)c2C)CN(C(=O)OC(C)(C)C)C1 2203687037 OTIWRHJBEICXAM-IBGZPJMESA-N 437.422 5.611 30 10 IKEE CCCN[C@@H](CC#CC(C)(C)C)c1ccc(Br)cc1I 2207265510 RVMOWQGJVFVEEY-INIZCTEOSA-N 448.186 5.534 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cccc(OC)c1Br 2207351888 PEVCTZAPBCSGSN-LPHOPBHVSA-N 441.410 5.358 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1cc(NC(=O)OC(C)(C)C)ccc1OC 2215800660 IOKHDNSSUNDSRE-QHCPKHFHSA-N 426.557 5.466 30 10 IKEE CCCCCCC[C@H](CO)N(C(=O)OCc1ccccc1)c1cccc(Br)c1 2219994401 NHSOLDZZKJKEOY-JOCHJYFZSA-N 448.401 6.314 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Cl)c(Cl)c(Cl)c1 2232520714 QFCJOSFMZVWTOL-FUHWJXTLSA-N 433.807 5.994 30 10 IKEE C=CCCC[C@@H](NCCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237422454 VWFAZOFHAJUUES-UXHICEINSA-N 439.438 5.609 30 10 IKEE C=C(C)CC[C@@H](NCCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237422486 WIRPRLOWODBAHC-WOJBJXKFSA-N 439.438 5.609 30 10 IKEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)Cc1ccccc1 2241479037 QGKBHMYUITVRQS-UHFFFAOYSA-N 441.380 5.137 30 10 IKEE CC(C)[C@H](C)N(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2247822757 IXKMJPGISJPJRJ-INIZCTEOSA-N 447.837 5.388 30 10 IKEE CC(C)[C@H](C)N(Cc1ccccc1)C(=O)c1cc(Cl)cc(B2OC(C)(C)C(C)(C)O2)c1 2255824481 IXPXYPSQLOBMFA-SFHVURJKSA-N 441.808 5.326 30 10 IKEE C=C(C)CCCC[C@H](NCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2259161905 QYUAZXGKXQXOLW-IGKIAQTJSA-N 444.660 5.945 30 10 IKEE O=C(C#Cc1ccc(Br)cc1)c1cc(Br)cc(Br)c1 2278732221 GPXOUZIRQCDTDV-UHFFFAOYSA-N 442.932 5.209 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](Nc2cccc(Br)c2C#N)C[C@H]1C(F)(F)F 2279229008 UJZMNGNXKCWOIP-NHYWBVRUSA-N 448.283 5.063 30 10 IKEE C=CC[C@]1(COc2cc(Br)cc(F)c2N)CCCCN1C(=O)OC(C)(C)C 2287705720 IOVVFVZUBXPLBQ-HXUWFJFHSA-N 443.357 5.285 30 10 IKEE C=CCc1ccccc1OCCn1cc(C=C2SC(=S)N(C)C2=O)c2ccccc21 2293140405 KDMBWUVJIVBDCL-UHFFFAOYSA-N 434.586 5.280 30 10 IKEE Cc1nc2cc(N=C3SC(=CNc4ccc(C)c(Cl)c4)C(=O)N3C)ccc2s1 2295213124 GVIKWKVSUOHRSL-UHFFFAOYSA-N 428.970 5.713 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]([C@H](C)CC)N(C)C(=O)OC(C)(C)C 2296221362 HYLICYZNVJCQEY-AHRSYUTCSA-N 437.422 5.060 30 10 IKEE C=CCOc1ccc(C=C(C(=O)c2ccc(OCC)cc2)c2nc3ccccc3o2)cc1 2296728683 CEJQCDWBMMEZFJ-UHFFFAOYSA-N 425.484 6.215 30 10 IKEE C=CCOc1ccc(C=C2N=C(c3cc(F)c(F)cc3Cl)OC2=O)cc1OCC=C 2297455787 XJNSOQAZJDGWSF-UHFFFAOYSA-N 431.822 5.092 30 10 IKEE COc1ccccc1CN1Cc2cc3ccc(C)c(C)c3nc2SC1=NC[C@@H]1CCCO1 2297506928 SYLXODUELMHFDE-QFIPXVFZSA-N 447.604 5.503 30 10 IKEE C=CCc1ccccc1OCCCCn1c(C=Cc2ccc(Cl)cc2)nc2ccccc21 2314899000 KMBSOIPJOKAANW-UHFFFAOYSA-N 442.990 7.448 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)c1 2318876539 OMHBISLBFPEZPT-SLFFLAALSA-N 445.560 5.022 30 10 IKEE Cc1ccsc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(CCOc1ccccc1)C3 2322038334 MMDVNELDJLXSPH-UHFFFAOYSA-N 433.529 5.212 30 10 IKEE CC[C@H](C)N1COc2cc(C)c3c(c2C1)OC(=Cc1cccc(Br)c1)C3=O 2322092244 KHVDJQJLKPPIQK-AWEZNQCLSA-N 428.326 5.324 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1cccc([N+](=O)[O-])c1)C3=O)CN(Cc1ccccc1F)CO2 2322350348 LFHQYKFHKRJJBM-UHFFFAOYSA-N 446.434 5.011 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(F)cc2F)c1OCc1ccccc1C 2322501883 OWAOMBAVHCBHHJ-UHFFFAOYSA-N 428.862 6.410 30 10 IKEE CCc1ccc(NC(=O)COc2cccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 2323046821 YWENLYWJDNXHEM-UHFFFAOYSA-N 430.460 5.071 30 10 IKEE COc1ccc(NN=Cc2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1 2323073145 GGSHXVKUYXWIFO-GDLZYMKVSA-N 446.554 6.497 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2cccc(OCc3ccccc3Cl)c2)cc1Cl 2323306733 BSVJCJBMVUINCJ-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE Cc1cc(OC(=O)COc2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1cccc(F)c1)O2 2323532630 ZAZCLKHWGNTQTO-UHFFFAOYSA-N 438.838 5.388 30 10 IKEE CCCOc1ccc(C=NNc2nc(-c3ccc(F)cc3)cs2)cc1Br 2323858482 COPNYNMYLQWKAC-UHFFFAOYSA-N 434.334 5.947 30 10 IKEE O=C(C=Cc1ccc(OCCCO)c(Br)c1)c1ccc(Cl)c(Cl)c1 2323886454 AKPSZMTYTHHCRH-UHFFFAOYSA-N 430.125 5.413 30 10 IKEE Cc1cccc(COc2ccc(C=CC(=O)c3ccc(F)c(C)c3)cc2Br)c1 2323972138 VQTCYJHPSDJECY-UHFFFAOYSA-N 439.324 6.680 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(F)c(F)c3)cc2Cl)o1 2324241493 RVJIZFJQHILCOP-UHFFFAOYSA-N 446.833 5.863 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2)C3=O)c(C)c1 2324494390 CVERSDXTTAFWLZ-LJQANCHMSA-N 427.500 5.634 30 10 IKEE COc1ccc(OC)c(C=C2Oc3cc(OCc4ccccc4C#N)cc(C)c3C2=O)c1 2325352752 LZKZNXUXKRQBHS-UHFFFAOYSA-N 427.456 5.079 30 10 IKEE COc1ccccc1C=Nn1c(CCc2ccccc2)nnc1SCc1cccc(F)c1 2325441863 OSRBSBVQYFBHMD-UHFFFAOYSA-N 446.551 5.386 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(F)cc3F)c2)cc1OC 2325703335 HZXPFJRFFUWNIC-UHFFFAOYSA-N 438.426 5.026 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OC(=O)c1ccccc1[N+](=O)[O-] 2325740149 PQQKRRJOUUGXLG-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE CCc1ccc(CCC(=O)Oc2cc(C=CC(=O)c3ccc(F)c(C)c3)ccc2OC)cc1 2325741512 YAEHPJJOJXJDFT-UHFFFAOYSA-N 446.518 6.139 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1N=Cc1cn(CC)c2ccccc12 2326272845 VRBXWLQIRJYPOW-UHFFFAOYSA-N 435.572 5.909 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccccc1OCC 2326364572 UIHOSVVNNCZQCW-UHFFFAOYSA-N 428.989 5.847 30 10 IKEE CCOc1ccc(C=Nn2cnnc2SCc2ccc(Cl)c(Cl)c2)cc1Cl 2326489277 OZIUAKMKOOHMPN-UHFFFAOYSA-N 441.771 5.812 30 10 IKEE CCCc1nnc(SCc2ccc(Br)cc2)n1N=Cc1ccc(F)cc1 2326621081 ZRAJUHYVCIARID-UHFFFAOYSA-N 433.350 5.307 30 10 IKEE CCOc1ccc(C=Nn2c(CCc3ccccc3Cl)nnc2SC)cc1OCC 2327915492 YVXVCRWVGPJPIY-UHFFFAOYSA-N 444.988 5.118 30 10 IKEE N#Cc1ccc(NC(=O)c2ccc(NC(=O)C=Cc3ccc(Br)cc3)cc2)cc1 2328687608 AJHPPUIYIYKASJ-UHFFFAOYSA-N 446.304 5.225 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3F)n2N=Cc2ccc(F)cc2)c1 2329745680 AXHYXXWBYSIRLP-UHFFFAOYSA-N 448.542 5.938 30 10 IKEE Cc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2[C@H](C)c2ccccc2)cc1 2330132065 HQCMIZPVWFJGPU-LJQANCHMSA-N 447.007 6.566 30 10 IKEE Clc1ccc(CSc2nnc(Cc3cccs3)n2N=Cc2ccco2)c(Cl)c1 2330439840 TZYPGSIRTALYDJ-UHFFFAOYSA-N 449.388 6.005 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)ccc1OC(=O)Cc1ccc(C)c(C)c1 2330794534 JZZPDSQKFRGZPO-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE Cc1ccc(CSc2nnc(C3CCCC3)n2N=Cc2ccc(Cl)cc2Cl)cc1 2331018528 HNBQZCUIONHMLS-UHFFFAOYSA-N 445.419 6.725 30 10 IKEE Fc1cccc(Cl)c1C=Nn1c(SCc2ccc(Cl)cc2)nnc1C(F)(F)F 2331150613 YYDYORNEZZUQKI-UHFFFAOYSA-N 449.260 5.917 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c([N+](=O)[O-])c2)c(C)c1 2331225534 KQJDNJRGFHBNDY-UHFFFAOYSA-N 446.415 5.235 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1cncc(C)c1 2331254372 DUGFDJNAKXCSAM-UHFFFAOYSA-N 442.298 5.821 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)[C@H](C)c1ccccc1 2331292986 FNLFPBBLEGEECY-OAQYLSRUSA-N 440.539 6.337 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc3ccccc23)cc(OC)c1OC(=O)c1ccccc1 2331483991 AOPXKYNHJLMCNE-UHFFFAOYSA-N 448.518 6.692 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)Cc2ccccc2F)cc1 2331545997 OZGSLEQWBAVGAS-UHFFFAOYSA-N 446.518 6.176 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1 2331554833 AQJMFTNDJSSFEK-UHFFFAOYSA-N 426.846 6.053 30 10 IKEE O=C(COc1ccc(Cl)cc1)Oc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1 2331554891 KRVSKRUQPRJLPV-UHFFFAOYSA-N 428.818 5.499 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1C 2331704702 WQPBWEPNODUKNV-UHFFFAOYSA-N 425.311 6.726 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)ccc1OC(=O)c1ccco1 2331814709 SIVNYVPMHRLHEF-UHFFFAOYSA-N 447.270 5.719 30 10 IKEE N#Cc1cccc(Br)c1OCc1c(Br)cccc1Br 2340641537 USZRJMAFRZXQSJ-UHFFFAOYSA-N 445.936 5.425 30 10 IKEE Cc1cc(C)c(C#N)c(Oc2cc(NC(=O)OC(C)(C)C)c(C)cc2Br)n1 2370351933 VIQGHRDMNBGNQL-UHFFFAOYSA-N 432.318 5.780 30 10 IKEE C=CCOc1c(Cl)cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)cc1OCC 2852220 HNYRWWBMOFRGPB-CPNJWEJPSA-N 429.925 5.540 30 10 IKEE CC(C)Oc1nc2ccccc2nc1Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N 3201990 DJWVIWYZUSMVKQ-UHFFFAOYSA-N 446.510 6.959 30 10 IKEE CCC(C)(C)C1C/C(=C\c2ccc(N(C)C)cc2)C(=O)/C(=C/c2ccc(N(C)C)cc2)C1 4762438 ULLIZFRJXFIINU-GJHDBBOXSA-N 430.636 6.701 30 10 IKEE C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)OC)[C@H]1CCc1ccoc1CN1CCCCC1 5720916 FSLAVQGJZYEXIY-DAANFHMWSA-N 427.629 6.150 30 10 IKEE biogenic C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(SC(F)F)cc1 9612927 TYGMPHYMGNNLRQ-YEUWRSSNSA-N 447.532 5.148 30 10 IKEE C=CCN(C(=O)c1cc(-c2ccco2)nc2onc(C)c12)c1nc(-c2ccccc2)cs1 14262382 PCAXZOQFWJUFLL-UHFFFAOYSA-N 442.500 5.748 30 10 IKEE O=C1O[C@H]2CCCC[C@H]2C(Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)=C1[N+](=O)[O-] 20530240 WMSMOSSVCBARER-MSOLQXFVSA-N 447.516 5.493 30 10 IKEE CCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2OC)C3)cc1 20881640 RVNZMNOPBOUCFD-WHLCRQNOSA-N 440.543 6.073 30 10 IKEE CCCN(CCC)CN1C(=O)/C(=N\c2ccc(Cc3ccncc3)cc2)c2ccccc21 59378093 NILKLXGBSKTVSA-WCTVFOPTSA-N 426.564 5.219 30 10 IKEE CCCCCCn1c2ccccc2c2nnc(N/N=C/c3ccc(O)c(OCC)c3)nc21 64981276 UPWSSVHXRWSDPN-PCLIKHOPSA-N 432.528 5.110 30 10 IKEE Clc1ccc(CO/N=C2\CCCc3c2cc(-c2ccccc2)n3-c2ccccc2)cc1 100400951 ZBIUZBBZNFPLQB-XLVZBRSZSA-N 426.947 7.055 30 10 IKEE O=C(Nc1ccc(F)cc1)[C@@H]1CC(=O)N(CCc2ccccc2)/C(=N/c2ccccc2)S1 100416663 OWLXXMRZHQPMDM-XOFWUJAUSA-N 447.535 5.029 30 10 IKEE C=CCn1c(SCC(=O)c2ccc(Cl)cc2Cl)nnc1-c1cc2ccccc2o1 101191836 VTSJRGMCAOIQCE-UHFFFAOYSA-N 444.343 6.159 30 10 IKEE CCCCCCCCCCn1c(CCCCCNC(=O)c2ccccc2)nc2ccccc21 102165479 LZEAGYSRVZGBRV-UHFFFAOYSA-N 447.667 7.320 30 10 IKEE Cc1ccc([C@@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 103097031 OQGFORKXTOCTTI-SADKCHQCSA-N 444.487 5.370 30 10 IKEE N#Cc1ccc(N2C(=S)C3(CCCCC3)[C@@H](N3CCCC3)/C2=N/C2CCCCC2)cc1 105421989 HYJDMDBZIMBCOQ-PBQGTZBKSA-N 434.653 5.852 30 10 IKEE CCCCCCCCOc1cc([S@@](C)=O)cc2c(=O)c3cc(C(=O)O)ccc3oc12 139017145 NIYVTGSEIQCEHV-PMERELPUSA-N 430.522 5.121 30 10 IKEE N#Cc1c(Br)cccc1Nc1cc(Br)ccc1Br 168492763 QTEWXNSXVCUCLK-UHFFFAOYSA-N 430.925 5.589 30 10 IKEE CCN(Cc1ccccc1)c1ccc(/C=N\n2c(S)nnc2Cc2ccccc2)cc1 169911506 GCKZVTMQVOMZSL-ITYLOYPMSA-N 427.577 5.066 30 10 IKEE CCOc1cc(/C=N\n2c(SC)nnc2C(C)C)ccc1OCc1cccc(Cl)c1 169915641 NOASZPGKPJSRIL-CFRMEGHHSA-N 444.988 5.637 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2cccc(F)c2)cc1 169921694 PCRQUYPCDBDNPF-JOCHJYFZSA-N 435.426 5.065 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)c(C)c2)[C@@H]1c1cccc(OC(C)C)c1 169980996 RLEAJFKLPCGVMY-DEOSSOPVSA-N 435.564 5.859 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3O)[C@@H]2c2cccs2)cc1C 169987326 HNLMTAGGULWPBT-HXUWFJFHSA-N 439.920 5.507 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(O)c(Cl)c2)cc1 170042168 ICAGUTXRRMSOQK-NRFANRHFSA-N 425.912 5.265 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@@H]2c2ccccc2)s1 170049497 MJWPIFYLFAZCOG-OAQYLSRUSA-N 446.572 5.840 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccccc1OC(C)C 170150979 IDDNPICNNJTMOP-QHCPKHFHSA-N 437.536 5.169 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccccc1)c1ccc2c(c1)CCCC2 170222715 IONISWZSQRWBRP-DEOSSOPVSA-N 427.475 5.487 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccccc2)c(C)c1 170222960 KJNCLCXSFKCMEZ-QFIPXVFZSA-N 435.426 5.065 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccccc1)c1cccc2ccccc12 170223086 UWTXCMPXOJBLJG-XMMPIXPASA-N 441.433 5.901 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@@H]2c2ccccc2)cc1 170224372 VIEVNWHHZYNSMZ-DEOSSOPVSA-N 427.500 5.349 30 10 IKEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1ccccc1 170233392 DHHCXXOIDAQAIY-DEOSSOPVSA-N 448.607 5.213 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2C2CCCCC2)cc1 170266524 BCXYCLJZVAKLKB-RUZDIDTESA-N 447.575 5.947 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2ccco2)ccc1Cl 170290329 WKIAKHIWGFNRNK-IBGZPJMESA-N 445.805 5.003 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2cccc(OCC(C)C)c2)c1 170365816 PEPVKDPMWKMCGD-XMMPIXPASA-N 442.515 5.208 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)c1 170377963 ZDYNTABDCCWMBP-VWLOTQADSA-N 441.527 5.992 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]2c2ccc(OC(C)C)cc2)c1 170472631 SCVNJSNGMNYMKL-JOCHJYFZSA-N 437.536 5.388 30 10 IKEE Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C\C(=O)Nc1cccc(OCCCC#N)c1 207277483 ZPFUMASIMQBAGN-QXMHVHEDSA-N 438.890 5.308 30 10 IKEE COCCN1C(=O)/C(=C/c2ccc(Sc3ccccc3)o2)SC1=Nc1ccccc1 252614948 JNZDVOKXDPDMSP-SXBLMXAXSA-N 436.558 5.681 30 10 IKEE COc1cccc(/C=C2\SC(=Nc3ccccc3)N(CCc3ccccc3)C2=O)c1O 252616695 KDRHSIVWJBNKAY-IYAWTGHFSA-N 430.529 5.248 30 10 IKEE COc1ccc(Br)cc1C=Nc1oc(-c2ccco2)c(-c2ccco2)c1C#N 254291397 YSMXHJXSKXLJDT-UHFFFAOYSA-N 437.249 6.193 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(O)cc2)cc1Cl 526490892 JYRKXTCJLIRJMI-HSZRJFAPSA-N 446.890 5.373 30 10 IKEE CCOc1cccc([C@@H]2C(c3ccc(OC)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)c1 526516569 PUMZREJRRMOEPQ-XMMPIXPASA-N 426.472 5.023 30 10 IKEE COc1cc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2ccccc2C#N)ccc1OC(C)C 526606210 IYDWDPFUZDOLCI-QHCPKHFHSA-N 446.528 5.473 30 10 IKEE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(Cl)cc2)c1 526607457 QSFFKPDIBAJRRA-QHCPKHFHSA-N 446.890 5.286 30 10 IKEE Fc1cccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccc(Cl)cc2)c1 526808094 IPUKAVDWEGIVCP-YSMPRRRNSA-N 436.943 5.836 30 10 IKEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1ccc(Cl)cc1Cl 526813764 DFXZZLJLGXXEAR-UYOCIXKTSA-N 446.190 6.375 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccccc1[N+](=O)[O-] 526817919 HKNJZFOAHLKIKX-FMCGGJTJSA-N 447.923 5.496 30 10 IKEE CCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1cc(Cl)c(O)c(Cl)c1 526825167 MHXWYCUGNDMOLN-RMORIDSASA-N 439.343 5.557 30 10 IKEE Cc1ccc(CN(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 586142431 AHRHTTBCDBXLDZ-UHFFFAOYSA-N 432.589 5.555 30 10 IKEE C[C@@H](NC(=O)Nc1ccc(C(=O)Nc2scc(C(C)(C)C)c2C#N)cc1)c1ccccc1 586632784 JUOUUHRYHNOIQQ-MRXNPFEDSA-N 446.576 6.052 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H]1C(C)(C)[C@@]2(C#N)Nc1ccccc1Br 693743053 WNRRFXSIHLCJQK-FNXXIHLHSA-N 434.378 5.179 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@H](C#N)c1cc(Cl)ccc1Br 698829625 TUQVAIHQTZVYBT-SFHVURJKSA-N 441.797 6.627 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@H](C#N)c1ccc(Br)cc1Cl 698843778 YACSOBGOAFFUKK-SFHVURJKSA-N 441.797 6.627 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@@]1(C#N)CCc2cc(Br)ccc21 698852896 SWLQZKBSRPVUDK-OAQYLSRUSA-N 431.305 5.695 30 10 IKEE O/N=C\c1cc(Br)cc(Br)c1OCc1c(F)cccc1Cl 953082376 UPKKWALQSUBQJU-SWNXQHNESA-N 437.490 5.391 30 10 IKEE CC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3C(=O)C=C4C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]12C)C(C)C 1077994279 ICFXJOAKQGDRCT-XGVDHBHHSA-N 428.701 7.204 30 10 IKEE O=C(Nc1cccc(F)c1)[C@H]1CC(=O)N(Cc2cccs2)C(=Nc2ccccc2)S1 1083895528 KIAJADNXUOYZLW-LJQANCHMSA-N 439.537 5.048 30 10 IKEE O=[N+]([O-])c1ccc(-c2sc(N=Cc3cccc([N+](=O)[O-])c3)nc2-c2ccccc2)cc1 1084266776 BEQCZKFPJDPXGY-UHFFFAOYSA-N 430.445 6.044 30 10 IKEE O=C1/C(=C/c2ccccc2O)S/C(=N\N=C/C=C/c2ccccc2)N1Cc1ccco1 1554646493 OHXAKHBGIKAREN-XXDOTAHGSA-N 429.501 5.157 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=Nc1nc(-c2ccccc2)cs1 1772737558 MXEAUANDFPXSPA-HRXHUYTNSA-N 437.977 6.254 30 10 IKEE N#CCc1cc(-c2cccc(OC(F)(F)F)c2)nc(-c2cccc(OC(F)(F)F)c2)c1 1848361948 TVXQQEWGYRTHIU-UHFFFAOYSA-N 438.327 6.279 30 10 IKEE COc1cccc(-c2cc(C(=O)Nc3ccccc3C#N)nn2Cc2cccc(Cl)c2)c1 1859403868 RTCGZCAXMZSSHJ-UHFFFAOYSA-N 442.906 5.384 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2c(Cl)cccc2Cl)cc1C 1862406769 XPRFWTSUVLPWKB-LJQANCHMSA-N 432.303 5.051 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccncc2)cc1 1862432038 VBZOHLCXVZNUDW-JOCHJYFZSA-N 432.907 5.076 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(OCCCC)cc1 1862439240 JZCYEHHXNZRKBM-NRFANRHFSA-N 425.912 5.283 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccc(C)cc2)cc1 1862445431 VUQRUPJOKNDSJT-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862449919 VSMQXKBLPHUAJX-QFIPXVFZSA-N 439.983 6.406 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1cccc(F)c1)c1c(F)cc(F)cc1F 1862457320 MZIUMBIOTOMAGX-NRFANRHFSA-N 441.380 5.022 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(C(C)C)cc1 1862463339 GKXOQDCFQSIWCG-OAQYLSRUSA-N 431.454 5.462 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1c(Cl)cccc1Cl)c1c(F)cc(F)cc1F 1862467660 UBQXTVAVABRMTJ-QGZVFWFLSA-N 442.220 5.151 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1cc(Cl)cc(Cl)c1 1862468070 YPNVCVJAPRYLMO-INIZCTEOSA-N 430.209 5.009 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1cccc(Cl)c1 1862470098 FRUGMDAJNSHABP-GOSISDBHSA-N 448.744 5.337 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccc(Br)c1 1862496142 CWFMFNSPOKXNAE-IBGZPJMESA-N 428.326 5.054 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862532145 CKLMRYLTTIYFRN-RUZDIDTESA-N 447.575 5.949 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(Cl)cc1 1862556869 GSCVOQOTAWEZQY-QFIPXVFZSA-N 440.971 5.861 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(C(C)(C)C)cc2)=C(O)C(=O)N1Cc1ccccc1 1862613262 GQDIQYWQKHNYDY-RUZDIDTESA-N 439.555 6.071 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862660883 RDVOUBPVEVECDM-VWLOTQADSA-N 431.576 6.420 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 1862667960 NLKUMOMDHAJBIZ-LHSJRXKWSA-N 446.374 6.494 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(O)cc2)cc1 1862674964 YSRKJTKJEDYJLM-FYSMJZIKSA-N 445.490 5.433 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1 1862685337 UIOIEBWXRMBJLW-XMMPIXPASA-N 443.474 5.145 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1ccc(Cl)c(Cl)c1)c1ccc2ccccc2c1 1862716262 CHRIIBLHGDBWKV-NRFANRHFSA-N 438.310 5.887 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862720796 FETVZXFHVKYOTF-NRFANRHFSA-N 440.326 6.135 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(OCC)c(OC)c1 1862720822 FTNUGIFWLJXWCH-DEOSSOPVSA-N 443.499 5.011 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(F)cc2)=C(c2ccc(C)cc2)C1=O 1863262677 DHHJHZARRRCEIS-UHFFFAOYSA-N 436.571 6.467 30 10 IKEE CCCOc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 1863348603 JHWXQSCMWRKVEX-FDDCHVKYSA-N 443.547 5.118 30 10 IKEE CCCCCCCCCCCC(=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 1865984759 GGCYRJUTAINLGW-JOCHJYFZSA-N 425.032 6.653 30 10 IKEE C[C@H]1COCCN1c1cc(Nc2cccc(C#N)c2)nc(-c2ccc(C(C)(C)C)cc2)n1 1868537624 CRDICKLOCSLFNJ-SFHVURJKSA-N 427.552 5.281 30 10 IKEE CCCCCCOc1ccc(C(=O)Nc2c(C#N)nnn2Cc2ccccc2Cl)cc1 1870107528 MREQKOMAEWPDDU-UHFFFAOYSA-N 437.931 5.063 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCCCOc2cccc(C)c2)cn1CC(C)C 1870313990 SMYHBOZMGNJXHX-UHFFFAOYSA-N 438.612 5.225 30 10 IKEE CCCCCCCCCCn1cc(OCCOC(C)C)c(=O)cc1CN1CCC[C@@H](C)C1 1870548608 LBAYGFDEJNJBJM-XMMPIXPASA-N 448.692 6.025 30 10 IKEE CCCCCCCCCCn1cc(OCCCC)c(=O)cc1CN1C[C@H](C)C[C@@H](C)C1 1870663152 IVACLUDGAZUIBJ-DNQXCXABSA-N 432.693 6.646 30 10 IKEE CCCCCCCCn1cc(OCCCC)c(=O)cc1CN(CC)CCc1ccncc1 1870663343 IOOQFXSOVWGJGZ-UHFFFAOYSA-N 441.660 5.847 30 10 IKEE CCCCCCCOc1cn(CCC(C)C)c(CNc2cc(OC)cc(OC)c2)cc1=O 1870833793 TYHKVCXRDDMNQK-UHFFFAOYSA-N 444.616 5.873 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OC)c(=O)cc1CNc1ccc(Cl)cc1 1870872767 WDIFRYKJISDDSP-UHFFFAOYSA-N 434.964 5.026 30 10 IKEE CCCCCCCCCCn1cc(OCc2ccccc2)c(=O)cc1CNc1ccccc1 1870895481 CHGRJPRJBLNHAI-UHFFFAOYSA-N 446.635 7.180 30 10 IKEE C#CCOc1cn(CCc2ccc(F)cc2)c(CNc2ccc(C(C)(C)C)cc2)cc1=O 1871004436 FIAAPXQNGLMHHZ-UHFFFAOYSA-N 432.539 5.152 30 10 IKEE CCCCCCCCn1cc(OCCCC)c(=O)cc1CNc1ccc(C(C)C)cc1 1871110978 MJVAMSVMKSXJMB-UHFFFAOYSA-N 426.645 7.123 30 10 IKEE CCCCCCCCCCNC(=O)[C@@]1(C)Oc2ccccc2N(Cc2ccccc2)C1=O 1871323424 MJDQWPPHQLJJLU-HHHXNRCGSA-N 436.596 5.628 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(CCc1ccccc1)C3 1871344561 MFQIXEDWWJABLK-XYGWBWBKSA-N 441.527 5.405 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc4c3CN(CCc3ccc(C)cc3)CO4)C2=O)cc1 1871347947 GMVZYDRZXZTZDW-QQXSKIMKSA-N 425.528 5.568 30 10 IKEE CCc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(CCOc3ccccc3)C4)C2=O)cc1 1871352427 IGLBRMYWJXRKFJ-MYYYXRDXSA-N 441.527 5.405 30 10 IKEE CCCCN1COc2c(cc3c(c2C)O/C(=C\c2cn(C)c4ccc(OC)cc24)C3=O)C1 1871352605 SAYNRLHJPKYRDH-KSEXSDGBSA-N 432.520 5.064 30 10 IKEE CCCCOCCCN1COc2c(cc3c(c2C)O/C(=C\c2ccccc2F)C3=O)C1 1871355742 JBDOTLKPXUGOTQ-HMAPJEAMSA-N 425.500 5.109 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4cccc(Br)c4)cc(C)c3C2=O)o1 1871363996 BCSZUJSKGFDABL-GRSHGNNSSA-N 439.261 5.494 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(Cl)c(Cl)c4)c3C)C2=O)cc1 1871372325 KRSQMNJGAVNAEG-NHDPSOOVSA-N 439.294 6.446 30 10 IKEE O=C1/C(=C/c2cccs2)Oc2cc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])ccc21 1871373467 IFNPGVXQXUNOGA-ZDLGFXPLSA-N 427.821 5.145 30 10 IKEE Cc1c(OC(=O)c2cc3ccccc3oc2=O)ccc2c1O/C(=C\c1ccc(F)cc1)C2=O 1871378869 DHMYXAJEIYDKIX-UUYOSTAYSA-N 442.398 5.076 30 10 IKEE Cc1ccc(OCCCCOc2ccc3c(c2C)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871406266 ZIZUTDGEDZLEGB-UQQQWYQISA-N 448.946 6.811 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O 1871430835 DYCSRUSVBNWYLB-SUVVMJBMSA-N 447.918 5.979 30 10 IKEE CCCCCCCCCCN=c1nc(N(CCC)CCCC)[nH]c(=Nc2ccccc2)[nH]1 1871601426 GRRICYOUMYESOI-UHFFFAOYSA-N 440.680 6.028 30 10 IKEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 1871830801 XTXWMBPJQDKNCM-QHCPKHFHSA-N 428.598 5.040 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(=O)(=O)CCC 1872209978 SEDCCIIWVMYXBT-DEOSSOPVSA-N 442.625 5.387 30 10 IKEE N#C[C@H](C(=O)c1cccc(Oc2ccccc2)c1)c1nc(-c2cccc(Cl)c2)cs1 1872767371 YDKQOGOVFWLIGX-OAQYLSRUSA-N 430.916 6.746 30 10 IKEE CCCOc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 1872769135 KOSHGZXUUSRFMA-QGZVFWFLSA-N 445.371 6.325 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccccc2F)=C(c2cccnc2)C1=O 1873077686 LTSHVTQGGLIYGX-UHFFFAOYSA-N 437.559 5.231 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(F)c(Cl)c1)n2CC 1873619605 IYRBHEVEXAYMSB-UHFFFAOYSA-N 445.970 6.268 30 10 IKEE Clc1ccc(OCc2nnc(SCCc3ccccc3)n2/N=C/c2ccncc2)cc1 1874265301 RCHZLFDPLYPSEL-WGOQTCKBSA-N 449.967 5.123 30 10 IKEE CCCCC1CCC(c2nnc(SCC)n2/N=C/c2ccc3c(c2)OCCO3)CC1 1874284867 CHERRTUAPCRUCO-LFVJCYFKSA-N 428.602 5.508 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2-c2ccccc2Cl)cc1 1874365239 RQSXNGAXKOLAQM-CVKSISIWSA-N 448.979 6.090 30 10 IKEE COc1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SCc2ccccc2C)cc1 1874373531 UJZSEAXCRYGPCG-JVWAILMASA-N 446.551 5.500 30 10 IKEE C=CCSc1nnc(CCc2ccccc2)n1/N=C/c1ccc(OCCCCC)cc1 1874403747 QAJPUCGAOBTCJQ-LHLOQNFPSA-N 434.609 5.793 30 10 IKEE Cc1cccc(CSc2nnc(Cc3cccs3)n2/N=C/c2ccc(F)cc2F)c1 1874411705 IPZASJHCJWEQJQ-DHRITJCHSA-N 440.544 5.692 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(Cc3ccccc3)nnc2SCc2cccc(F)c2)c1 1874417797 SYBSSURRNXVWMN-CVKSISIWSA-N 432.524 5.197 30 10 IKEE CCSc1nnc(-c2cccs2)n1/N=C/c1ccc(N(CC)Cc2ccccc2)cc1 1874421340 HJGSGVZHRWEVLH-KOEQRZSOSA-N 447.633 6.027 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2ccc(F)cc2F)c1 1874445385 DDDWIHYFPLBMIH-GRMYTIJRSA-N 428.508 5.199 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2[C@@H]2CCCO2)cc1 1874450336 ZHURFWGASPTBEB-PGLVWIQMSA-N 442.972 5.356 30 10 IKEE CN(C)c1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CCCC2)cc1 1874456320 LRDFEVNBYAPZPF-MFKUBSTISA-N 440.016 5.830 30 10 IKEE Fc1cccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C2CCCC2)c1 1874457834 KENDHPJQFSXDDS-BRJLIKDPSA-N 432.927 6.042 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2-c2ccco2)cc1 1874469654 QNYUTWFRBBWJOB-DHRITJCHSA-N 440.931 6.068 30 10 IKEE CCCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1cccc(OC)c1 1874479384 YDGMYCNJMFYGNX-ZMOGYAJESA-N 449.407 6.111 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CC3)n2/N=C/c2ccc(Cl)c(Cl)c2)c1 1874519701 HSRVBJWTJRXKMP-BHGWPJFGSA-N 431.392 6.254 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2ccccc2Cl)nnc1C1CC1 1874519732 JLIIXJQDFDXLGK-ZVHZXABRSA-N 426.973 5.772 30 10 IKEE Cc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(Cl)c(Cl)c1 1874533270 AHXMXFAFVWHQLZ-WYMPLXKRSA-N 427.360 6.221 30 10 IKEE COc1c(Br)cc(Br)cc1/C=C/C(=O)c1ccc([N+](=O)[O-])cc1 1874575524 RILYEHZAKJZGRJ-QPJJXVBHSA-N 441.075 5.025 30 10 IKEE O=C(/C=C/c1cc(Br)ccc1OCCc1ccccc1)c1ccc(Cl)cc1 1874577467 ORVWYGWRQUDEQB-XYOKQWHBSA-N 441.752 6.620 30 10 IKEE CCCOc1c(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc(Br)cc1OC 1874591647 VRJGJNHXLCJYGD-BQYQJAHWSA-N 433.342 5.768 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1OCc1ccccc1C 1874593562 PYZALHXPSDZNEZ-YRNVUSSQSA-N 427.327 6.786 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1cccc(/C=C/C(=O)c2cccc3ccccc23)c1 1874597558 SZVWOWGFDRGZLB-WUKNDPDISA-N 435.523 6.370 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 1874633037 IZXUEYZSIYOVHC-MDWZMJQESA-N 431.488 6.085 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(F)c(F)c3F)c2)cc1 1874694326 XQDMPLQXKDRGCB-WUXMJOGZSA-N 440.417 5.790 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2cccc(Cl)c2)cc1OC(=O)C1CC1 1874699464 WQFDCJTVKREDLQ-BQYQJAHWSA-N 435.701 5.323 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OC(=O)COc2ccc(C)cc2C)c1 1874704248 DUDCTGCOSALVRV-ZHACJKMWSA-N 430.500 5.501 30 10 IKEE CCc1ccccc1OCC(=O)Oc1cccc(/C=C/C(=O)c2cc(OC)ccc2OC)c1 1874706403 GAXLGBOWTZBBLU-WYMLVPIESA-N 446.499 5.147 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(F)cc3F)c2)c1C 1874710681 HKRTUXZKOXJUMT-DHZHZOJOSA-N 434.482 6.243 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)CSc3ccccc3)c(Cl)c2)c1 1875102502 UJKHKQGMSZYUFH-ZRDIBKRKSA-N 438.932 5.942 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3Cl)cc2)cc1 1875104677 JDOULDMZJFMCAP-LHHJGKSTSA-N 441.310 6.507 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cccs3)c([N+](=O)[O-])c2)cc1 1875106212 HXIZAZPRDVDORY-UKTHLTGXSA-N 449.528 6.043 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)ccc1OC(=O)c1cccc(F)c1 1875109338 JIRIIHDAAQPYDI-DHZHZOJOSA-N 434.463 5.657 30 10 IKEE O=C(CCOc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1Cl 1875120989 UKFKYVVFWNWBCF-UXBLZVDNSA-N 442.845 5.889 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(F)c(F)c1 1875123306 ZLGNBDZJVWWSTE-WEVVVXLNSA-N 428.818 5.742 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC(=O)Cc1ccc(C)c(C)c1 1875125515 MNKXMZCLSWCEST-WUXMJOGZSA-N 434.919 6.010 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)Cc1cccs1 1875136368 LNMMYSXLPAOJNQ-JLHYYAGUSA-N 432.541 5.838 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2Cl)c1 1875155592 JWJKZAKREXGOEB-VZUCSPMQSA-N 432.947 7.196 30 10 IKEE COCCC(=O)Oc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1Br 1875169095 IWEYEDZTIHRERJ-SOFGYWHQSA-N 445.353 5.521 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)c(C)c3)cc2)cc1C 1875186603 DIPIQLPRAZBCGH-JLHYYAGUSA-N 428.528 5.973 30 10 IKEE C=C(c1ccccc1)[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NC 1888682503 OLQIWYBPJIVMDD-RUZDIDTESA-N 449.639 5.237 30 10 IKEE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccc(CC#N)c1 1901535380 SLWWYKFLIGYNDA-RUZDIDTESA-N 439.515 5.008 30 10 IKEE C=C(COCc1ccccc1)[C@H](O)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 1922067610 CNNKZNOESZLAMZ-XMMPIXPASA-N 425.569 5.338 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)C1(CCC)CCN(C(=O)OC(C)(C)C)CC1 1922091139 GKBJNBLGOSVNSC-QHCPKHFHSA-N 430.633 5.555 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@H](C#N)[C@]1(C)CCCN1C(=O)OC(C)(C)C 2020804416 OVSNYZMMPBOTHH-JPYJTQIMSA-N 449.979 5.763 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1cccc(NC(=O)OC(C)(C)C)c1 2031660217 LLLWVFUUTIUDQA-NRFANRHFSA-N 437.540 6.348 30 10 IKEE C=C(C)[C@@H](O)CC[C@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 2037784273 MHGLNDDJLDJDBG-TXYXTXMVSA-N 442.728 7.140 30 10 IKEE C=CCC1(C(=O)Cc2cc(Br)ccc2Cl)CN(C(=O)OC(C)(C)C)C1 2047915686 MDIUWADTMNKBDD-UHFFFAOYSA-N 428.754 5.027 30 10 IKEE COc1cc(-c2nc3ccccc3n2CC#N)cc(Br)c1OCc1ccccc1 2060397169 PFMQPHPSHAQUJB-UHFFFAOYSA-N 448.320 5.577 30 10 IKEE C#CC1CCC(NCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CC1 2071263862 AJROWOMKKQFEEG-UHFFFAOYSA-N 425.572 6.126 30 10 IKEE CC(C)(C)[C@H](c1ccc(C2CC2)cc1)n1nc(C2CCC2)c(/C=N/O)c1Br 2079040024 ILAYUSJGZQRGTP-AFEQLLIESA-N 430.390 6.234 30 10 IKEE COc1ccc([C@@H](C(C)C)n2nc(C(C)C)c(C#N)c2I)c(C)c1 2079858091 KSRXIJLCCIHHCI-GOSISDBHSA-N 437.325 5.045 30 10 IKEE C#CCCCC[C@H](NCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2173491880 XKRDVRUNAQUHKZ-VQTJNVASSA-N 437.422 5.057 30 10 IKEE CC(C)N(C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cc(Br)cc(F)c1C#N 2174811445 YCNXLALFEKVFFV-HNNXBMFYSA-N 440.357 5.074 30 10 IKEE C=CCN(C[C@H](NCCC)c1c(F)cc(F)cc1Br)C(=O)OC(C)(C)C 2225599876 JGWRMOWCNOKBAI-INIZCTEOSA-N 433.337 5.191 30 10 IKEE C=CCCCCC[C@@H](O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2229103656 CVCILOLUIQKTQA-RBUKOAKNSA-N 426.395 5.382 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1CCC(=O)C#Cc1ccccc1Br 2235728514 ZXBJLMSVBXZYRK-YLJYHZDGSA-N 434.374 5.233 30 10 IKEE C#C[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2243919632 WHVCFNRTZIYFLH-FQRUVTKNSA-N 446.591 5.104 30 10 IKEE N#Cc1cccc(Br)c1Oc1ccc(Br)cc1Br 2257504704 SRVJHDBPKRHAHL-UHFFFAOYSA-N 431.909 5.638 30 10 IKEE CCN[C@H](C#CC1CCCC1)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2260980243 JJBXTNJQMGCRIX-SQHAQQRYSA-N 440.628 5.002 30 10 IKEE C=CCCC1(C(=O)c2c(Br)ccc(Cl)c2F)CN(C(=O)OC(C)(C)C)C1 2266207771 LTGGQZFQHKVRNF-UHFFFAOYSA-N 446.744 5.628 30 10 IKEE C[C@@H](NC(=O)OC(C)(C)C)c1cccc(NC(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)c1 2267096558 KHLPMVXKRIXRCL-FAEJEUNOSA-N 444.381 5.083 30 10 IKEE Cc1c(NC(=O)OC(C)(C)C)ccc([C@@H](O)C#Cc2ccccc2Br)c1C 2283462958 DYJRMRAFAPAGKT-FQEVSTJZSA-N 430.342 5.498 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@H]1Nc1c(Br)cccc1C#N 2285183727 DBAXLTAUZGNTIP-YJBOKZPZSA-N 434.378 5.206 30 10 IKEE CCCCN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1c(Br)cccc1C#N 2285189388 DTLPPNMVCIKYHN-KRWDZBQOSA-N 436.394 5.327 30 10 IKEE C=C(C)CCCC[C@@H](NC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2287381649 ZGCVRFIECFQYJX-UXHICEINSA-N 439.438 5.609 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NC)c2cc(Br)cc(C(C)(C)C)c2)C1 2288654066 GTCYJYDMJMWBJL-GOSISDBHSA-N 437.422 5.621 30 10 IKEE CC(C)(C)[C@H]1CCc2c(sc(NC(=O)C=Cc3ccc(OC(F)F)cc3)c2C#N)C1 2294878087 YSDXAPCZFLBDEP-HNNXBMFYSA-N 430.520 6.024 30 10 IKEE CN1[C@H](c2ccccc2)C[C@H](N=Cc2ccccc2)[C@@H](c2ccccc2)[C@@H]1c1ccccc1 2295099883 VOXJOUOUCQMCPD-MBEDZMRZSA-N 430.595 7.076 30 10 IKEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H](C)CCC[C@H](C)NC(=O)OC(C)(C)C 2296216001 GOGFMKUNASAKHD-ABSDTBQOSA-N 437.422 5.108 30 10 IKEE COc1cccc(C=C2Oc3cc(OCc4c(F)cccc4Cl)ccc3C2=O)c1OC 2296844945 YLWXIYQPGAHYOH-UHFFFAOYSA-N 440.854 5.692 30 10 IKEE CCCCCCCCN1C(=O)C(=Cc2ccc(N(C)C)cc2)C(=O)N(CCCC)C1=O 2297454811 UTFLUDCMCRNPOL-UHFFFAOYSA-N 427.589 5.087 30 10 IKEE CCOc1cc(C=C2SC(=Nc3cccc4ccccc34)NC2=O)ccc1OCC#N 2297497506 CTBREISQLLCNPM-UHFFFAOYSA-N 429.501 5.032 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2Cc2cccnc2)cc1 2314524293 LFFWRHKFRKWLKI-SANMLTNESA-N 438.527 5.383 30 10 IKEE CCN1C(=O)C(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=Nc1cccnc1 2314541273 IWTYAKITNIYQRX-UHFFFAOYSA-N 444.343 6.272 30 10 IKEE COc1ccc(OC)c(C=C2Oc3c(ccc(OCc4cccc(Cl)c4)c3C)C2=O)c1 2321762481 ZKLUNILFJMMNHN-UHFFFAOYSA-N 436.891 5.861 30 10 IKEE CCOc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(C1CCCCCC1)C3 2322079651 MSCKUZZAWJUDIU-UHFFFAOYSA-N 433.548 5.885 30 10 IKEE O=C1C(=Cc2c(F)cccc2Cl)Oc2c1ccc1c2CN(C2CCCCCCC2)CO1 2322177601 PKQQALAVQUCZAG-UHFFFAOYSA-N 441.930 6.360 30 10 IKEE COc1ccccc1C=C1Oc2cc(OC(=O)CCCOc3ccccc3C)ccc2C1=O 2323172449 DDXQPOLKCHOOTF-UHFFFAOYSA-N 444.483 5.384 30 10 IKEE CCCCCCCCCOc1ccc(C=NNc2cnn(C)c(=O)c2Cl)cc1OCC 2323222808 UIZGRYSHBZPHQU-UHFFFAOYSA-N 448.995 5.408 30 10 IKEE C=C(C)COc1c(Br)cc(C=CC(=O)c2ccc(CCCC)cc2)cc1OC 2323552954 GHCQITAZCLVLEL-UHFFFAOYSA-N 443.381 6.651 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)c4cc(Cl)ccc4Cl)cc(C)c3C2=O)c1 2323583574 HZXDRTYFTWPYJS-UHFFFAOYSA-N 439.294 6.446 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)ccc1OCC(=O)Nc1ccccc1F 2323647590 YOVNKKHLQREASV-UHFFFAOYSA-N 449.478 5.147 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1cccc(C)c1 2323692276 JYDUVMQBUZQATD-UHFFFAOYSA-N 443.499 6.115 30 10 IKEE CCCCC(=O)Oc1ccc2c(c1C)OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O 2323744162 CRUKLMUGLJBZBL-UHFFFAOYSA-N 428.868 5.227 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(OC)c(OCCC)c(OC)c2)cc1OCCC 2323744480 HIWLQSFSWHERSI-UHFFFAOYSA-N 442.552 5.966 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1 2324161761 RHQNOJHSVYYOHQ-UHFFFAOYSA-N 433.935 6.377 30 10 IKEE N#C[C@@H](C(=O)C=Cc1ccc(Cl)cc1Cl)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2324339204 LTZXCMNQYIYONY-INIZCTEOSA-N 444.299 5.915 30 10 IKEE Cc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1C)OC(=Cc1cccc(F)c1)C2=O 2324412650 INTLFWNWIDHADW-KRWDZBQOSA-N 431.463 5.465 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2Cl)c1 2324449169 VESXDCZEJRVOIC-UHFFFAOYSA-N 447.962 6.487 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)c1OCc1cc(C)ccc1C 2324451480 RJEBGTWCCGNUDK-UHFFFAOYSA-N 448.990 7.447 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccccc1F 2324455527 KHDXHDUGSKBJSD-UHFFFAOYSA-N 447.506 5.755 30 10 IKEE Cc1cccc(OCCCOc2ccc3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)c1 2324561691 QDKYKGVREOMKMO-UHFFFAOYSA-N 431.444 5.367 30 10 IKEE Cc1cccc(OCCCCOc2ccc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)c1 2324571156 OUORWYFMQKNADU-UHFFFAOYSA-N 432.491 6.297 30 10 IKEE Cc1ccccc1COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1[N+](=O)[O-] 2324581265 OCODQZGYVGKDLQ-UHFFFAOYSA-N 443.543 6.984 30 10 IKEE Cc1c(O[C@H](C)C(=O)Nc2ccc(Cl)cc2)ccc2c1OC(=Cc1cccs1)C2=O 2324611555 HVUHXKPKXSXXND-CQSZACIVSA-N 439.920 5.732 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccc(C)o2)C3=O)c(Cl)c1 2325299287 UHRVGBMJBKUYDJ-UHFFFAOYSA-N 437.879 5.492 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3)n2N=Cc2ccccc2O)c1 2325485636 CXNMSIVTWFIBDK-UHFFFAOYSA-N 428.561 5.366 30 10 IKEE CCCOc1ccccc1C=Nn1c(CCC)nnc1SCc1cccc2ccccc12 2325564627 FRKSOHIVXWOSHM-UHFFFAOYSA-N 444.604 6.347 30 10 IKEE CCCCOc1ccc(C=Nn2c(CC)nnc2SCc2c(F)cccc2Cl)cc1 2325610778 ZJQWGMWGFDEELK-UHFFFAOYSA-N 446.979 5.986 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cc4ccccc4n3C)c2)cc1 2325704938 YWMWVOCVXRVWRB-UHFFFAOYSA-N 439.511 5.865 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccccc2-c2ccccc2)c1)c1ccccc1Cl 2325717858 ALRSNRUYFQGUFQ-UHFFFAOYSA-N 438.910 7.122 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OC(=O)c3c(F)cccc3Cl)c2)c1 2325744489 CUFUMLRMWNFNLH-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE CCc1ccc(C(=O)Oc2cccc(C=CC(=O)c3cc(Cl)ccc3Cl)c2)cc1 2325774581 WXDXUGDGQPWNQJ-UHFFFAOYSA-N 425.311 6.671 30 10 IKEE C=CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1cccc(F)c1 2326136979 SJLINBIHPTUCHO-UHFFFAOYSA-N 430.936 5.427 30 10 IKEE CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1cccc(Br)c1 2326868089 LDMXMZGGMKTYSZ-UHFFFAOYSA-N 445.430 5.404 30 10 IKEE C=C(C)CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccccc1OC 2326908530 GXNCNTNIJSGUBF-UHFFFAOYSA-N 436.625 5.596 30 10 IKEE C=CCSc1nnc(COc2c(C)cccc2C)n1N=Cc1cccc2ccccc12 2328559356 WMJYXPRIKCOVQD-UHFFFAOYSA-N 428.561 5.787 30 10 IKEE C=CCSc1nnc(CCc2ccc(OC)cc2)n1N=Cc1ccc(C(F)(F)F)cc1 2328579619 BFQWBWZCNGIYAM-UHFFFAOYSA-N 446.498 5.251 30 10 IKEE CCOc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCc2cccc(C)c2)cc1 2330245808 SXVSTDWFPLTPPO-UHFFFAOYSA-N 448.636 6.283 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)Cc1ccc(F)cc1 2330701271 YSYFDZNKIHZIQL-UHFFFAOYSA-N 444.502 5.757 30 10 IKEE Cc1cccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2-c2ccccc2)c1 2330705832 GCCSGKOCZVKQIE-UHFFFAOYSA-N 436.943 6.221 30 10 IKEE CCOc1cc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccccc2C)ccc1O 2330810514 JSKAYWVZNOMBBU-UHFFFAOYSA-N 438.597 5.454 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c(OC)c2)cc1C 2330880970 MGRSNHBVDKULTF-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE Clc1ccc(CSc2nnc([C@@H]3CCCO3)n2N=Cc2ccccc2)cc1Cl 2331002406 OEYPDUCZLOEOII-SFHVURJKSA-N 433.364 5.611 30 10 IKEE Cc1ccc(C=Nn2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2-c2ccco2)cc1 2331174288 HYUYMZYBYQZHOW-UHFFFAOYSA-N 445.548 5.076 30 10 IKEE Fc1ccc(CSc2nnc(-c3ccco3)n2N=Cc2ccc(Cl)c(Cl)c2)cc1 2331182723 FIJQSXCNKWHRAW-UHFFFAOYSA-N 447.322 6.159 30 10 IKEE COc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2OC)cc1 2331236722 YJRKFBWAFUBERJ-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc(Br)c1OC(=O)C(C)C 2331286887 WBVYGJIIRBAOLY-UHFFFAOYSA-N 431.326 5.614 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc2c(c1)OCCO2 2331345525 QWJJEGKTWMTDQH-UHFFFAOYSA-N 442.972 5.220 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cccc([N+](=O)[O-])c1 2331467191 MXKPPMIFWCCQCH-UHFFFAOYSA-N 429.933 5.213 30 10 IKEE CC(C)c1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc([N+](=O)[O-])cc1 2331715307 JUAOWSSMGMGSKX-UHFFFAOYSA-N 433.896 5.277 30 10 IKEE O=C(Cc1ccc(F)cc1F)Oc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1 2331859039 ALIFARTWFSQUAQ-UHFFFAOYSA-N 447.264 6.316 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2OC)cc(Cl)c1OC(=O)C1CCC1 2331877356 VILSXBRPUFBRIB-UHFFFAOYSA-N 449.330 6.002 30 10 IKEE COc1cccc(C=NNc2oc(-c3cccs3)nc2C#N)c1OCc1ccc(F)cc1 2331938104 FLENORMDPUAETA-UHFFFAOYSA-N 448.479 5.447 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1ncc(C(F)F)s1 2343569149 IRUDTWISFQTCJY-LBPRGKRZSA-N 444.301 5.850 30 10 IKEE C=CCN(CC[C@@H](NCC)c1cc(Br)cc(COC)c1)C(=O)OC(C)(C)C 2362279657 XATISGPCGKUMNE-LJQANCHMSA-N 441.410 5.059 30 10 IKEE C=C(C)CCCC[C@H](NCC)[C@@H](O)c1sc(Cl)cc1I 2366660019 KYRSFQLFIRPUMJ-GXTWGEPZSA-N 427.779 5.154 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O)c1ccccc1F 2244526 BTGVZXOJQDXOLZ-QQXSKIMKSA-N 436.438 6.328 30 10 IKEE Cc1ccc(N/C(=N\C(=O)c2ccc(C(C)(C)C)cc2)NCc2c(C)nn(C)c2C)c(C)c1 32972317 INHVKKKOFDGQAF-UHFFFAOYSA-N 445.611 5.349 30 10 IKEE O=C(Oc1ccc(F)cc1C(=O)/C=C\c1cccs1)c1ccc(Br)cc1 33441934 WHQPRQLQICMUCV-HJWRWDBZSA-N 431.282 5.765 30 10 IKEE COc1ccc(COc2ccc3c(c2)O/C(=C\c2ccc(Cl)c(Cl)c2)C3=O)cc1 33514138 WBDXEPSOLUAOEQ-JJFYIABZSA-N 427.283 6.197 30 10 IKEE Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C\c3cccc(Cl)c3Cl)cc2)cc1 34687896 XGPQJRSUMVBXTJ-ZROIWOOFSA-N 446.355 5.999 30 10 IKEE COc1ccccc1OCc1nc(C#N)c(N(Cc2ccccc2)Cc2ccccc2)o1 35342864 VFHPKKXMWQIRKM-UHFFFAOYSA-N 425.488 5.341 30 10 IKEE CCOc1ccc2oc(C)c(C(=O)Oc3ccc4c(c3)O/C(=C\c3ccco3)C4=O)c2c1 35550490 DFQPTVJEYGJEGE-UUYOSTAYSA-N 430.412 5.568 30 10 IKEE CCOc1ccc(-n2c(-c3ccccc3)cc(/C(C)=N\OCc3ccc(C#N)cc3)c2C)cc1 35843499 MTTGPDDRMKDPSY-YQYKVWLJSA-N 449.554 6.664 30 10 IKEE C=CCC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC1CC1 36306873 LEMXVRCCTOECDJ-JOCHJYFZSA-N 449.570 5.558 30 10 IKEE O=C1/C(=C/c2ccccc2Cl)Oc2cc(OCc3ccc(Br)cc3)ccc21 39754436 OGWZANAESCXOHN-NHDPSOOVSA-N 441.708 6.298 30 10 IKEE COc1ccc(C(=O)O/N=C2\CC(C)(C)Cc3c2cc(C)n3-c2ccc(C)c(C)c2)cc1 39853146 NCJDRFDBTLRXHJ-ZZIIXHQDSA-N 430.548 5.945 30 10 IKEE O=C(O)c1cccc(/N=C2/S/C(=C\C=C\c3ccccc3)C(=O)N2C2CCCCC2)c1 39866863 CPNSZVKDOPKTTP-RCDWROMASA-N 432.545 5.878 30 10 IKEE Cc1c(/N=N/c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c(O)n(C2CCCC2)c(=O)c1C#N 39871340 SCBMWYSWBLSAIC-OCOZRVBESA-N 435.362 5.192 30 10 IKEE C=CCc1ccccc1OCc1nc2ccccc2n1CCCOc1ccccc1OC 39907105 RKLGYDCUWPSNFK-UHFFFAOYSA-N 428.532 5.822 30 10 IKEE Cc1c(OCc2ccc([N+](=O)[O-])cc2)ccc2c1O/C(=C\c1ccc(C(C)C)cc1)C2=O 41501401 NSSTUKJTVRRHNF-OYKKKHCWSA-N 429.472 6.222 30 10 IKEE CCc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(CCCc3ccccc3)C4)C2=O)cc1 41588033 NLVPYEYEWGFOAA-QQXSKIMKSA-N 439.555 5.958 30 10 IKEE C=CCN(C(=O)CCn1cnc2scc(-c3ccc(C)cc3)c2c1=O)c1ccccc1 58642378 NNYDABLSIHCFEL-UHFFFAOYSA-N 429.545 5.043 30 10 IKEE COc1ccc(O)c(/C=N/c2cc(C(F)(F)F)ccc2Oc2ccc(C)cc2Cl)c1 59507028 YFCNUGDZUHNCBT-KKMKTNMSSA-N 435.829 6.924 30 10 IKEE CC/C(C)=N/Nc1nc2cc(C)c(NC(=O)COc3ccc(C(C)C)cc3)c(C)c2s1 78400617 IMXGGBBCUYOBKJ-JVWAILMASA-N 438.597 6.252 30 10 IKEE O=C(/C=C\c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O 97513723 UZGXCFBVMMFFJD-LSLFBNKYSA-N 447.284 5.684 30 10 IKEE CCCC[C@H]1O[C@@H]1CCCCCCCCCCCCCC1=C(O)C(=O)C(C)=C(O)C1=O 100502369 CQYLCXGDVUAPIN-FGZHOGPDSA-N 434.617 6.811 30 10 IKEE O=C(/C=C\N1CCN(Cc2ccc(Cl)cc2Cl)CC1)c1cccc(OC(F)F)c1 102004578 UWIDHHCBBMUYBJ-SREVYHEPSA-N 441.305 5.109 30 10 IKEE COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C1=O 103662125 HKZQCWWGDKSRHJ-HMAPJEAMSA-N 447.918 6.094 30 10 IKEE CCCCCCCCCN1C(=O)COc2ccc(-c3csc(-c4ccccc4)n3)cc21 103747851 FDONGBJSZVBYCZ-UHFFFAOYSA-N 434.605 6.953 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@H]2/C=C\c1ccccc1 104466550 FOHXMBOUDUWYPM-CBUFDYBVSA-N 440.465 5.733 30 10 IKEE CCCCCCCCNC(=O)COc1ccccc1OCC(=O)NCCCCCCCC 147420767 ORFBOOMIPWVUCX-UHFFFAOYSA-N 448.648 5.398 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(F)cc2)=C(N(CC)Cc2ccccc2)C1=O 169986195 QZDJUNSQTOYXNQ-UHFFFAOYSA-N 436.571 5.788 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2ccncc2)cc1 170018933 RWBITRUHFDRUGH-QFIPXVFZSA-N 448.906 5.225 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(F)cc2)c(C)c1 170065183 OVKOWDVUNWEBFK-QHCPKHFHSA-N 449.453 5.060 30 10 IKEE N#Cc1ccc(N2C(=O)C(Nc3cccc(C(F)(F)F)c3)=C(c3cccs3)C2=O)cc1 170121910 WSFJXWMUMJKHRE-UHFFFAOYSA-N 439.418 5.035 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2cccc(C)c2)c1 170140063 HDVUSBYJKIJZDM-DEOSSOPVSA-N 445.490 5.706 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@@H]1c1ccccc1OC(C)C 170151081 QSHUVSQJUKBGNS-NRFANRHFSA-N 443.927 5.124 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccccn1)c1ccc2c(c1)CCCC2 170173881 NRVWPNRKJSBYEQ-QHCPKHFHSA-N 444.918 5.397 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccn2)cc1 170179336 CXKFIIDYHDSMTR-HSZRJFAPSA-N 434.536 5.027 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2cccnc2)cc1 170187101 GTNMHDHPIIGYIN-DEOSSOPVSA-N 442.515 5.270 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccncc2)c1 170200461 GPVDSCREVVAJCG-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccncc2)cc1 170202715 AMNDPFYURNQCMN-DEOSSOPVSA-N 442.515 5.270 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC)cc1 170216206 UYXCRDRRRSSULN-BXKMTCNYSA-N 449.547 5.177 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@H]1c1cccc(OCC)c1 170217779 UKFQHWYFNCNQPM-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2)cc1C 170227299 OQIUBUQKLDQYPN-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@H]1c1ccc(Cl)cc1 170236141 WEJVRDYJXSLHMW-JOCHJYFZSA-N 441.955 5.850 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1ccc(C(C)C)cc1 170245169 DCUGLKVEAOJLHF-XMMPIXPASA-N 435.564 5.976 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(O)c2)cc1C(C)C 170264163 DJDUZSUXMAIKLF-XMMPIXPASA-N 449.547 5.435 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C(C)C)c3)[C@H]2c2ccco2)cc1 170283296 AWOOVFWVEIWXSC-XMMPIXPASA-N 445.515 5.757 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(C)o2)cc1C 170299102 VRMQLAFCEOMLIU-JOCHJYFZSA-N 435.451 5.217 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(C)o2)ccc1Cl 170308135 YAXZBASKSHMPIT-NRFANRHFSA-N 443.927 5.551 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2Cc2ccc(C(=O)OC(C)C)cc2)c1 170459122 JJFNGKFBZBSENE-XMMPIXPASA-N 449.547 5.071 30 10 IKEE CCCCCCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)/C(=C\c3cnn(C)c3)C[C@H]12 254479461 WVXXEBLHRGPWQV-YOEHWZPFSA-N 446.635 6.498 30 10 IKEE c1ccc([C@@H]2CC(=NN=C3C[C@H](c4ccccc4)Oc4ccccc43)c3ccccc3O2)cc1 254874436 YRRHIUDRTJZIPK-RNPORBBMSA-N 444.534 6.928 30 10 IKEE O=C(OCc1ccccc1)N1C[C@H](CS)[C@H](c2ccc(Br)c(Cl)c2)C1 382681670 AVDMBDVKONARNR-CVEARBPZSA-N 440.790 5.385 30 10 IKEE CC1(C)OB(CCC[C@H](N)c2ccc(Br)c(Br)c2)OC1(C)C 394695025 DRYNGGSYUSLNBE-AWEZNQCLSA-N 432.993 5.084 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(C)c(Br)c1)NCCC 407919778 BFBSYTBMGIKQHG-RTBURBONSA-N 425.411 5.138 30 10 IKEE CCOc1cccc([C@@H]2C(c3ccc(OC)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 526486481 LQEUGJQEDCROOR-XMMPIXPASA-N 426.472 5.023 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2sccc2C)c1 526518496 XUNJUPCPSOCQAE-QHCPKHFHSA-N 444.556 6.164 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1c(C)n(C)c2ccccc12 526809091 GNGLVIBEAJOTHL-YUMHPJSZSA-N 445.636 6.212 30 10 IKEE CCOc1ccc(/C=N\n2cnnc2SCc2ccc(Cl)c(Cl)c2)cc1Cl 526814745 OZIUAKMKOOHMPN-AQHIEDMUSA-N 441.771 5.812 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1ccccc1C(=O)O 526814920 QORLNHYRSHAKFU-YVNNLAQVSA-N 435.336 5.020 30 10 IKEE N#Cc1cccc(NC(=O)Nc2cccc(C(=O)NC(c3ccccc3)c3ccccc3)c2)c1 586702114 LDQARXRSTBSSKO-UHFFFAOYSA-N 446.510 5.722 30 10 IKEE CCOc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)cc1 698481810 KVLCAEVMJMFVIW-LJQANCHMSA-N 431.330 5.854 30 10 IKEE COc1ccc(Br)c([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)c1 710764190 ADFDKCJSNXUCGB-IBGZPJMESA-N 437.378 5.982 30 10 IKEE C=CCOC(=O)/C=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 1083890470 MVNQAUHVHOQNLB-YWEYNIOJSA-N 442.136 6.077 30 10 IKEE O=S(=O)(Oc1ccc(C=NNc2nc(-c3ccccc3)cs2)cc1)c1ccccc1 1083995663 ZAYJASMOXMCMLC-UHFFFAOYSA-N 435.530 5.024 30 10 IKEE CC(C)c1nc2ccc(N=Cc3cc(Br)cc(Br)c3O)cc2[nH]1 1084410899 WJUNTQWAMFSOPK-UHFFFAOYSA-N 437.135 5.668 30 10 IKEE Cc1c(C(=O)N2c3ccccc3C[C@H]2C)oc2c1C(=NNc1ccccc1)CC(C)(C)C2 1772728433 FCHIUWWUSMXAMR-QGZVFWFLSA-N 427.548 5.968 30 10 IKEE CC(/C=C1\SC(=Nc2cccnc2Cl)N(c2ccccc2)C1=O)=C\c1ccccc1 1772732037 BUQOWYFZFGSFKK-QQMIVBAUSA-N 431.948 6.490 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=Nc2nccs2)N1C1CCCCC1 1772736364 UIICWMJQZWQYCX-HRIUQOHOSA-N 438.405 6.387 30 10 IKEE COc1cccc(/C=C2\SC(=Nc3nc(-c4ccccc4)cs3)N(C)C2=O)c1OC 1772740418 XUAOWCFVMHMSBV-IWNQXXOGSA-N 437.546 5.061 30 10 IKEE N#Cc1ccccc1COc1cccnc1NC(=O)CC(c1ccccc1)c1ccccc1 1858739299 GDOMZZYIGTWSMD-UHFFFAOYSA-N 433.511 5.693 30 10 IKEE N#Cc1ccccc1NC(=O)Oc1cccc2c(NC(=O)/C=C/c3ccccc3)cccc12 1858773669 IXTGOEMZMITHOM-WUKNDPDISA-N 433.467 5.974 30 10 IKEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)/C=C/c1ccc(OCC)c(OC)c1 1861587145 VKHWUCDKHNMVKZ-FBMGVBCBSA-N 446.632 5.259 30 10 IKEE CCCCCCCCCCNC(=O)CCCOc1ccc(Cl)cc1Br 1861876843 UQAGPCBZURSGMK-UHFFFAOYSA-N 432.830 6.518 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc(Cl)cc1)c1ccccc1Cl 1862432036 UYFBEQSLPKGVFQ-NRFANRHFSA-N 438.310 5.772 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@@H]2c2ccc(C)cc2)cc1 1862475682 RWNYQDAOAVFLKR-HSZRJFAPSA-N 431.919 5.735 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2ccc(C(C)C)cc2)cc1 1862477439 MGNUISYQWSKORW-SANMLTNESA-N 439.555 6.205 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cc(Cl)cc(Cl)c2)cc1 1862481454 ALAQOMVGIULLSH-NRFANRHFSA-N 444.358 6.213 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cc(Cl)cc(Cl)c1 1862498870 SNASICOBBFILLW-VLIAUNLRSA-N 432.347 5.987 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C(C)C)cc1 1862621871 AAQGIMVYVYQVBR-QHCPKHFHSA-N 435.564 5.760 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(OCCC)cc1 1862623674 VKGKFEZQEGLQHP-HSZRJFAPSA-N 433.548 5.537 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 1862663411 RDHADSXIRFZXSX-VWNXMTODSA-N 433.548 5.130 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(O)c2)cc1 1862674309 LVMOISQRLBDPPA-UPCLLVRISA-N 445.490 5.433 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1 1862675671 QUYZNVIQRXXUMK-RFVSGWPVSA-N 427.903 5.636 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2Cl)cc1 1862675793 UGLOHFBPASALRV-QHCPKHFHSA-N 449.909 5.609 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)c1 1862747566 SFMXJGTUKHSLKT-SBUREZEXSA-N 442.471 5.243 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1 1862900906 NAOLISGOOCOJNM-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3c[nH]c4ccccc34)C2=O)cc1C 1863122531 QWTQFTSBRBOUNH-UHFFFAOYSA-N 432.483 5.053 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(OCC)cc2)=C(c2ccccc2F)C1=O 1863290341 POWJHRSKHUUMBX-UHFFFAOYSA-N 438.543 5.777 30 10 IKEE CCCCCCCCNC1=C(c2cc(C)ccc2C)C(=O)N(CCCN(CC)CC)C1=O 1863739153 ZDXMHDRWNFSYHH-UHFFFAOYSA-N 441.660 5.065 30 10 IKEE N#Cc1cccc(C(=O)N(c2ccc(F)c(F)c2)C2CCN(Cc3ccccc3)CC2)c1 1865856974 RESAUCBYFYCOBP-UHFFFAOYSA-N 431.486 5.148 30 10 IKEE COc1ccccc1[C@H]1c2ccccc2CCN1c1cc(Nc2ccccc2C#N)nc(C)n1 1868490771 SBQMSDOUPZUMIF-MUUNZHRXSA-N 447.542 5.561 30 10 IKEE N#Cc1ccc(COc2cn(Cc3ccccc3)c(CSc3ccccn3)cc2=O)cc1 1870233338 KQOOURNJXPRISK-UHFFFAOYSA-N 439.540 5.035 30 10 IKEE C=CCOc1cn(Cc2ccc(C)cc2)c(CSc2nc3ccccc3s2)cc1=O 1870245060 WIUWCJLZYIIXFH-UHFFFAOYSA-N 434.586 5.672 30 10 IKEE CCCCCCCOc1cn(CCCCCCO)c(CNc2ccc(Cl)cc2)cc1=O 1870839455 SIGXVGHJMKLJFE-UHFFFAOYSA-N 449.035 6.016 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OC(C)C)c(=O)cc1CNc1cccc(F)c1 1870907095 DAMFKMQSRMBBBE-UHFFFAOYSA-N 446.563 5.290 30 10 IKEE C=CCn1cc(OCCCCOc2cccc(C)c2)c(=O)cc1CNc1ccc(OC)cc1 1871221134 PDWFSMFVAGTLGN-UHFFFAOYSA-N 448.563 5.201 30 10 IKEE COc1ccc([C@H](C)N2COc3c(cc4c(c3C)O/C(=C\c3sccc3C)C4=O)C2)cc1 1871359339 LDVCIRCPHRIRIY-SLCIXIPPSA-N 447.556 5.903 30 10 IKEE Cc1cc(C(=O)Oc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)ccc1[N+](=O)[O-] 1871373430 GEZAWJBUAZNAFV-UPFJJGCZSA-N 427.412 5.295 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccc(C)cc4)cc(C)c3C2=O)cc1 1871408315 ROFZBSPDAKAZBU-QCYAWUEASA-N 427.500 5.634 30 10 IKEE CCc1ccc(OCCCOc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871412946 MTDBVMPNFYGAKO-XYGWBWBKSA-N 434.919 6.367 30 10 IKEE CCCOC(=O)[C@H](CC)Oc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O 1871434407 SKOTVHLILTYLNZ-HRVJUDJTSA-N 435.303 5.720 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O)Nc1ccc(F)c(Cl)c1 1871441324 KKYLUWBNYHKWAN-NKVSQWTQSA-N 441.817 5.252 30 10 IKEE CC(C)c1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O 1871456311 YDNGOTRFZOFZBT-CFRMEGHHSA-N 447.918 6.097 30 10 IKEE C=CCN(CC=C)c1nc(=NCc2ccc(Cl)cc2)nc(Nc2ccc(Cl)cc2)[nH]1 1871524411 FMLDEMRUUBVAJI-UHFFFAOYSA-N 441.366 5.134 30 10 IKEE C=CCN=c1[nH]c(=NCCCCCCCCCC)[nH]c(=NCCCCCCCCCC)[nH]1 1871740006 CRCSLOSJIBBURY-UHFFFAOYSA-N 446.728 5.840 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)CCCC 1872220722 RPHWEFHUPQQVAT-JOCHJYFZSA-N 436.662 5.489 30 10 IKEE CN(C)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1[N+](=O)[O-] 1872761932 ZICQDFWGRRUEFK-IBGZPJMESA-N 446.532 5.153 30 10 IKEE COc1ccc(OC)c(/C=C/C(=O)[C@@H](C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)c1 1872787150 CDLGQANSTJIYMV-CPSHHHPTSA-N 448.544 5.342 30 10 IKEE C=CCN(CC=C)c1nc(Nc2ccc(Cl)cc2C)c2cnn(-c3ccccc3)c2n1 1873481548 DCLJKELPRUARGE-UHFFFAOYSA-N 430.943 5.699 30 10 IKEE CCCCc1ccc(N2CC(=O)C(c3nc(-c4ccc(OCC)cc4)c(C)s3)=C2N)cc1 1873529296 BAIRBCKJIODKGH-UHFFFAOYSA-N 447.604 5.576 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccccc1C)n2CCCC 1873621201 KNPAMUYQQBBJAZ-UHFFFAOYSA-N 435.616 6.565 30 10 IKEE O=C(Nc1ccc2nc(C(F)(F)F)[nH]c2c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1873687704 RJPXCHQEKGQIPT-UHFFFAOYSA-N 441.253 5.872 30 10 IKEE Cc1c(CC(=O)Nc2ccc(C#N)cc2)c(=O)oc2cc3c(cc12)CCC1(CCCCC1)O3 1873864526 NEINNSCODUCDQU-UHFFFAOYSA-N 442.515 5.182 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3cc(C)ccc3OCCC)c(=O)oc2c1 1873959476 KHECUKQYKCETHA-UHFFFAOYSA-N 435.520 5.335 30 10 IKEE CC(C)(C)c1ccc(/C=N/n2c(Cc3cccc4ccccc34)nnc2SCCO)cc1 1874271640 FWEFFQUCJLYHCF-OVVQPSECSA-N 444.604 5.286 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2OC)n1/N=C/c1cccc2ccccc12 1874289110 ZCRLRXNOKNOSOD-CVKSISIWSA-N 444.560 5.569 30 10 IKEE CCCSc1nnc(COc2cccc(C)c2C)n1/N=C/c1cn(C)c2ccccc12 1874324411 DHIOBPUXOGVLDG-AFUMVMLFSA-N 433.581 5.350 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccccc2F)n1/N=C/c1ccccc1O 1874375498 ZFZXHPJSYVRJIH-CVKSISIWSA-N 432.524 5.197 30 10 IKEE Cc1ccccc1/C=N/n1c(Cc2ccc(F)cc2)nnc1SCc1ccccc1F 1874380080 VXYZTOOQGGQZIJ-JFLMPSFJSA-N 434.515 5.630 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2/N=C/c2sccc2C)cc1 1874388505 PFQIXQIQAKZYLX-AFUMVMLFSA-N 436.581 5.861 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SC)cc1OCC 1874405315 RPZROIDLEYHPIV-JJIBRWJFSA-N 430.618 5.583 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCCc3ccccc3)nnc2-c2ccccc2)cc1 1874428398 HHNUURMKHDMYCG-ZXVVBBHZSA-N 426.589 6.286 30 10 IKEE Cn1cccc1/C=N/n1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccccc1 1874429058 OSDRNBXAHMYSBD-ZMOGYAJESA-N 442.375 5.765 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2C(F)(F)F)cc1 1874458865 JRPYWEHVFHELBS-VULFUBBASA-N 448.514 5.959 30 10 IKEE FC(F)(F)c1nnc(SCCc2ccccc2)n1/N=C/c1ccc(Cl)cc1Cl 1874461256 FINRCCNKUSBOJP-BHGWPJFGSA-N 445.297 5.821 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1ccc(Cl)cc1 1874475177 NEGWSKMNRKZSFV-ZMOGYAJESA-N 445.951 5.026 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc(Cl)cc1 1874528010 OWWAFWICSYSYBA-LSHDLFTRSA-N 425.772 5.975 30 10 IKEE CCc1ccccc1NC(=O)COc1ccccc1/C=C/C(=O)c1ccc(OC)c(C)c1 1874574170 YSAPOYUJUPEVRQ-FYWRMAATSA-N 429.516 5.480 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c1OCc1ccccc1C 1874575235 CAGZTJIFJKYIML-FMIVXFBMSA-N 437.879 6.040 30 10 IKEE O=C(/C=C/c1cc(Br)ccc1OCc1cccc(F)c1)c1cccc(Cl)c1 1874576311 HLFOASFCBGCNRD-VQHVLOKHSA-N 445.715 6.717 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)N[C@@H](C)c2ccccc2)cc1 1874577960 NUAMKZWSTPCWRY-POLXVDLBSA-N 429.516 5.238 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2cc(C)ccc2C)cc1 1874580062 VYCKDCMPBDSQBL-DTQAZKPQSA-N 430.544 6.576 30 10 IKEE O=C(/C=C/c1c(OCCc2ccccc2)ccc2ccccc12)c1cccc2ccccc12 1874583225 CNPJHKZLJVOYAW-VHEBQXMUSA-N 428.531 7.511 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1OCC(=O)Nc1ccccc1C 1874594512 OLOUIBCVHFTZNA-YRNVUSSQSA-N 437.442 5.195 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1cccc(OCC(=O)OCC(C)C)c1 1874599373 JWUGUVKWYYGOHN-BQYQJAHWSA-N 437.319 5.476 30 10 IKEE CCc1ccc(NC(=O)COc2cccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)c2)cc1 1874599602 VINMWDBOQOIFGK-NTCAYCPXSA-N 441.571 6.396 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1cccc(OCc2cccc(Cl)c2)c1 1874600374 IXIDZXZVPJAIQP-MDZDMXLPSA-N 427.327 6.786 30 10 IKEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc4ccccc4c3)cc2Cl)o1 1874602580 TWVLDIDUZPEWBD-IZZDOVSWSA-N 446.886 6.348 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1 1874603792 FRZOVHVTPBQJOM-SFQUDFHCSA-N 425.528 5.787 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(Br)c1OCC 1874622497 GKHJCSVAHGLVCJ-MDWZMJQESA-N 431.370 6.440 30 10 IKEE CCCOc1c(OCC)cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc1[N+](=O)[O-] 1874633496 FIUPXWKZKJNLQG-BQYQJAHWSA-N 433.888 5.649 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OCc1ccccc1C 1874635734 WNSIANWIWPAVCS-VAWYXSNFSA-N 448.990 7.447 30 10 IKEE O=C(COc1ccc(Cl)cc1)Oc1cccc(/C=C/C(=O)c2ccc3ccccc3c2)c1 1874692402 DZKQIAHZZGCFPJ-OVCLIPMQSA-N 442.898 6.374 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)[C@H](C)c1ccccc1 1874692972 GZTWAROICSEUNA-MLFXKNMZSA-N 431.444 5.209 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2cccc(/C=C/C(=O)c3ccccc3OC)c2)cc1 1874698895 SLBGEVWUIHOFNS-OBGWFSINSA-N 444.527 5.918 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)c1)c1ccc2c(c1)OCO2 1874707544 KGMPLUPAWYBYGV-VLBYPOEESA-N 446.886 5.674 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OC(=O)c1cccc2ccccc12 1874709528 GCGBOJXPSSTNAQ-OQLLNIDSSA-N 426.443 6.103 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc1OC(=O)c1ccco1 1874715356 PNTPATACPSSYID-SOFGYWHQSA-N 426.852 5.374 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)c1ccc(C)c(C)c1 1875132681 YOLCXMYZQNKPCB-XYOKQWHBSA-N 434.919 6.389 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(Cl)c(OC(=O)C2CCCC2)c(OC)c1 1875143695 MJLJADGNTWCNEE-MDZDMXLPSA-N 428.912 5.657 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)C3CCC3)c(Br)c2)cc1 1875148866 XVNJIXNXJZZHHH-NTUHNPAUSA-N 441.365 6.348 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(C(F)(F)F)cc2)cc1)c1ccc2c(c1)OCO2 1875150085 WUEPSWSPCNAYQK-QDEBKDIKSA-N 440.373 5.549 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc(Cl)c2)c(Cl)c1)c1ccc(F)c(F)c1 1875162762 ULJCWDJEXWUBLS-XBXARRHUSA-N 433.237 6.387 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2)c(Br)c1)c1ccc(F)c(F)c1 1875162923 XBUVHZHRDOAOIH-UXBLZVDNSA-N 443.243 5.843 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OC(=O)Cc1ccc(F)cc1 1875163514 ONRMXYWNVUOUPX-ONNFQVAWSA-N 426.390 5.157 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)c1cncc(C)c1 1875167462 AQFHVASLSBDXPB-RMKNXTFCSA-N 431.488 5.139 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)C3CCC3)c(OC)c2)c(C)c1C 1875167836 OYEUNLXAFIHOIK-CSKARUKUSA-N 428.912 5.576 30 10 IKEE C=C([C@@H](NCCC)[C@H](O)c1scc(Br)c1Br)[Si](C)(C)C 1922918658 PUKCJGLUWPCCOH-OLZOCXBDSA-N 441.305 5.108 30 10 IKEE C=CCC[C@H](C)[C@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 1996467651 RJTSQUOQRHXNJY-RZPFDVGOSA-N 429.649 5.126 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2000548558 OSDTXPRZEBWZLG-PXBRLVMASA-N 433.593 5.142 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1C[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C1(C)C 2005340592 QQZUCULYYCVRHI-MWTRTKDXSA-N 449.617 5.318 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(C)cc2)cc1 2033814559 VUJNKBWUNGJELD-JOCHJYFZSA-N 433.529 5.234 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(Cc3ccccc3)C[C@@H]2C)c1 2037425927 ICSKCJBZWXBKEG-RXFWQSSRSA-N 435.568 5.241 30 10 IKEE C=CCN(CC[C@@H](Cc1ccc(Br)cc1Cl)NC)C(=O)OC(C)(C)C 2037966160 ZFSDOTWWGXQIKE-INIZCTEOSA-N 431.802 5.046 30 10 IKEE C=CCn1c(C)nc(-c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)c1N 2071353876 JASHFUGQJAAMMI-UHFFFAOYSA-N 425.532 5.785 30 10 IKEE CC[C@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C2CC2)c(C=NO)c1Br 2079992246 AKLZWTPESWCAAF-CQSZACIVSA-N 434.231 5.488 30 10 IKEE CCOc1ccc([C@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C2(C)CC2)cc1 2080103403 ILWDLTFQBMHCET-SFHVURJKSA-N 432.362 5.293 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H](c2cc(Cl)n3nc(C4CCCCC4)c(C#N)c3n2)C1 2081186807 UPLGKDPWNUYQFQ-INIZCTEOSA-N 443.979 5.417 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@]1(C)CNc1ccc(C#N)c(Br)c1F 2106032036 DPZUGBLZGRSGBV-IBGZPJMESA-N 426.330 5.051 30 10 IKEE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)[C@@H]1C[C@H](c2ccccc2)CC[C@H]1C#N 2117994374 FOTGNZLJJPKJIH-UODIDJSMSA-N 447.623 5.879 30 10 IKEE C[C@@H](N(Cc1ccccc1)c1ccnc2cc(B3OC(C)(C)C(C)(C)O3)cnc12)C(C)(C)C 2172782057 MAPJNUQUWHNLOW-LJQANCHMSA-N 445.416 5.370 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCCN1c1cc(Br)ccc1C#N 2174812312 JUHFILNHTWRRDM-MSOLQXFVSA-N 434.378 5.079 30 10 IKEE CC(C)(C)OC(=O)N1CCc2sccc2[C@@H]1CNc1cc(Br)ccc1C#N 2194005432 JECPVLDJQLWYSK-KRWDZBQOSA-N 448.386 5.329 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)nn1C(C)C 2232483413 KNRPUOVWKSLEEU-YJBOKZPZSA-N 443.430 5.127 30 10 IKEE CC(C)(C)OC(=O)NC[C@H](C(=O)C#Cc1ccccc1Br)C1CCCCC1 2235716962 IDRUVKMCEWGRSR-SFHVURJKSA-N 434.374 5.091 30 10 IKEE CC1(NC(=O)OCc2ccccc2)CCC(Nc2ccc(Br)c(C#N)c2)CC1 2258942834 YRXZLFCCPGLPFU-UHFFFAOYSA-N 442.357 5.360 30 10 IKEE C=C(COCc1ccccc1)[C@H](NC)C1(NC(=O)OC(C)(C)C)C2CC3CC(C2)CC1C3 2259264584 FPYZOOKXIODABC-XXURUNAWSA-N 440.628 5.067 30 10 IKEE C=CC[C@]1(COc2ncc(Br)cc2Cl)CCCCN1C(=O)OC(C)(C)C 2272082051 VDKRUZVAMLMJBZ-LJQANCHMSA-N 445.785 5.612 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(F)c([C@@H](O)C#Cc2ccccc2Br)cc1F 2283417764 UAAUYEAGJSSXGS-SFHVURJKSA-N 438.268 5.159 30 10 IKEE CCOc1ccc(N2C(=O)C(=O)C(=C(O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 2296091372 MHYAJTQWIMJGKN-JOCHJYFZSA-N 433.891 5.365 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)C[C@@H](C)C(C)(C)NC(=O)OC(C)(C)C 2296295950 IRXQMKTVHJOVLN-APWZRJJASA-N 437.422 5.108 30 10 IKEE CC(C)c1ccc(OCc2ccc(C=CC(=O)c3ccc(Cc4ccccc4)s3)o2)cc1 2297113944 KKQTWSYDITWKDE-UHFFFAOYSA-N 442.580 7.530 30 10 IKEE COC(=O)c1ccc(-c2ccc(C=C3SC(=Nc4ccccc4Cl)NC3=O)o2)cc1 2297303491 MHQVCTXHXIKVRG-UHFFFAOYSA-N 438.892 5.278 30 10 IKEE CC(C)CN(CC(C)C)C[C@@H](O)Cn1cc(C=CC(=O)c2cccs2)c2ccccc21 2297359403 QTMRIMFELBWHMJ-JOCHJYFZSA-N 438.637 5.574 30 10 IKEE O=C(Oc1ccccc1C=C1Sc2ccccc2C1=O)c1cccc(Br)c1 2297449079 DREXLKILYVSAOE-UHFFFAOYSA-N 437.314 5.998 30 10 IKEE Cc1c(Cl)cccc1-n1c(C)cc(C=C2SC(=Nc3ccc(F)cc3)NC2=O)c1C 2313557577 GTCHTWKHJWTDAM-UHFFFAOYSA-N 439.943 6.087 30 10 IKEE CCOc1ccc(N=C2NC(=O)SC2=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 2314489683 VJCAIROIHNQSLU-UHFFFAOYSA-N 435.461 5.781 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)c1 2318876538 OMHBISLBFPEZPT-HSALFYBXSA-N 445.560 5.022 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 2321305933 VFRAOZGEUCSEDY-VQTJNVASSA-N 441.572 5.418 30 10 IKEE Sc1nnc(CC2CCCCC2)n1N=Cc1ccccc1OCc1ccccc1Cl 2321958522 BGGXNUCFLWAMAG-UHFFFAOYSA-N 441.000 5.804 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccccc1Br)O3)CN(CC(C)C)CO2 2322071554 FZYNALJSZXITFN-UHFFFAOYSA-N 428.326 5.182 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(Cl)cc1Cl)C3=O)CN(CCOC(C)C)CO2 2322328434 KQOJIVJADLKRTE-UHFFFAOYSA-N 448.346 5.495 30 10 IKEE CC(C)(C)n1ncc(NN=Cc2ccc(OCc3ccccc3Cl)cc2)c(Cl)c1=O 2322601338 GALKNSQOQGIBJK-UHFFFAOYSA-N 445.350 5.330 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc(C(C)C)cc1 2322737791 PQTAWTZNQXMGSQ-UHFFFAOYSA-N 447.962 6.685 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1ccc2c(c1C)OC(=Cc1sccc1C)C2=O 2322760116 YOXRFXJPUUGAKA-UHFFFAOYSA-N 436.485 5.218 30 10 IKEE Cc1cc(OC(=O)c2cccnc2)cc2c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O2 2322810050 FNPJFGNEYXVRDR-UHFFFAOYSA-N 426.255 5.532 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2cccc(C)c2)c(C)c1C 2322815519 BBUKYDNKFOPRRK-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE Cc1cc(OC(=O)c2cc3ccccc3o2)cc2c1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)O2 2322842706 BDRDUXKSFRXADB-UHFFFAOYSA-N 441.395 5.485 30 10 IKEE Cc1c(OC(=O)c2ccccc2[N+](=O)[O-])ccc2c1OC(=Cc1ccc(C(C)C)cc1)C2=O 2323154055 OONZLBJWKPCGBV-UHFFFAOYSA-N 443.455 5.862 30 10 IKEE Cc1c(OC(=O)C(c2ccccc2)c2ccccc2)ccc2c1OC(=Cc1ccccn1)C2=O 2323212692 VQBKADNOXGJRLW-UHFFFAOYSA-N 447.490 5.744 30 10 IKEE Cc1cc(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc2c1C(=O)C(=Cc1ccccc1)O2 2323283064 IZKDOYUJOZCGAW-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)cc(C)c2OC)c(Br)c1OC 2323299911 JYPBXTDLLLSAAO-UHFFFAOYSA-N 425.706 5.333 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1OCc1cccc(C)c1 2323303178 RKDRUERFEKFNJJ-UHFFFAOYSA-N 428.572 7.085 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2cccc(OCc3cccc(F)c3)c2)cc1Cl 2323310116 KYPWLHHTHPPRGM-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE O=C1C(=Cc2cccc(Cl)c2)Oc2cc(OC(=O)c3c(F)cccc3Cl)ccc21 2323353916 ZHJZTIDTCOAUET-UHFFFAOYSA-N 429.230 5.968 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccc2c(c1)CCCC2 2323419523 PHJJPCAXZUHONU-UHFFFAOYSA-N 437.366 7.347 30 10 IKEE COc1cc(C=Nn2c(S)nnc2C2CCCCC2)ccc1OCc1ccc(C)cc1 2323481785 RKVABINUFVOMKU-UHFFFAOYSA-N 436.581 5.393 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)c1 2323510975 FNSPRSZBLCQOIH-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE CCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)C=Cc1ccc(Cl)c(Cl)c1 2323629728 IUHMNIYKVNIMGR-JOCHJYFZSA-N 427.416 5.768 30 10 IKEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(F)cc3F)cc2Cl)o1 2323720538 GSYQKORBHOPCQY-UHFFFAOYSA-N 432.806 5.473 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OCCc1ccccc1 2324169627 PZQSFYSULHTJFP-UHFFFAOYSA-N 448.990 7.380 30 10 IKEE COc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1C)OC(=Cc1sccc1C)C2=O 2324474146 VWXCGIZBAOYEEK-INIZCTEOSA-N 449.528 5.396 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1)Nc1nccs1 2324651747 JIDNPABFZPTDHF-UHFFFAOYSA-N 433.316 5.364 30 10 IKEE COc1cccc(COc2cc(C)c3c(c2)OC(=Cc2ccc(OC)c(OC)c2)C3=O)c1 2325690801 BYIMNBNXNGWCRH-UHFFFAOYSA-N 432.472 5.216 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(Cl)cc3Cl)c2)cc1C 2325714988 KNSFUDLPOJEWJE-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE Cc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3cccc(Br)c3)c2)cc1 2325720466 YXHLHMIGZOQLGY-UHFFFAOYSA-N 435.317 5.802 30 10 IKEE COc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1 2325731412 LWRLKZFOVODAFX-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(Br)cc2)c1)c1ccc(F)c(F)c1 2325753607 BTHYSIZETZLCBG-UHFFFAOYSA-N 443.243 5.843 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)c3ccc4c(c3)OCO4)c2)cc1C 2325771470 CIZKAZRYYNENCL-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1OC(=O)Cc1ccccc1 2325772154 LQOSYVWIPBJPJA-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE CCCSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1ccccc1Cl 2325965881 FQZUQWJQCPTSDT-UHFFFAOYSA-N 449.805 5.669 30 10 IKEE CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1cccc([N+](=O)[O-])c1 2326117948 CAWIPXSLUKGVRJ-UHFFFAOYSA-N 445.932 5.030 30 10 IKEE C=C(C)CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1cccc(C)c1 2326127300 CEIQGYYYMYBNGE-UHFFFAOYSA-N 441.000 5.986 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccccc1COc1ccccc1 2326350386 SPWCXMGLNKMXMJ-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccc(Cl)cc3)n2N=Cc2ccc[nH]2)c1 2329102824 BYTPKJFZIKZCBL-UHFFFAOYSA-N 435.984 5.642 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3F)n2N=Cc2cccs2)cc1 2329278484 HJLRDOSANHTLMB-UHFFFAOYSA-N 438.553 5.253 30 10 IKEE CC(C)c1ccc(C=CC(=O)Nc2ccc(Cl)c(NC(=O)c3cccc(C#N)c3)c2)cc1 2329731279 CTGKVIQTMBRACH-UHFFFAOYSA-N 443.934 6.239 30 10 IKEE COc1ccccc1C=Nn1c(Cc2ccc(F)cc2)nnc1SCc1ccc(C)cc1 2329795540 IFUPAHGMSRJBHS-UHFFFAOYSA-N 446.551 5.500 30 10 IKEE Cc1ccc(O)c(C=Nn2c(COc3ccccc3)nnc2SCCc2ccccc2)c1 2329919461 WOOCLGVAKBPOSI-UHFFFAOYSA-N 444.560 5.088 30 10 IKEE Fc1ccc(CSc2nnc(Cc3cccs3)n2N=Cc2ccc(F)cc2F)cc1 2330334524 WAVZPVSIANMIDI-UHFFFAOYSA-N 444.507 5.522 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(CC)cc3)cc2OC)c1 2330772811 UWWKSPQBBUXKPN-UHFFFAOYSA-N 430.500 5.772 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3cc4ccccc4n3C)c(OC)c2)c1 2330800591 JOERFEQPOLPRJK-UHFFFAOYSA-N 441.483 5.311 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)C(C)(C)C)c(Br)c2)cc1C 2330862957 SOLDKRVVKYLGFP-UHFFFAOYSA-N 431.326 5.614 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)c2ccc(F)c(F)c2F)c(Cl)c1 2331061355 HQRLPRDQMNIJLF-UHFFFAOYSA-N 446.808 5.881 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2C(F)(F)F)cc1 2331138163 CWSNBMCAOGFLSX-UHFFFAOYSA-N 434.487 5.487 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2C(F)(F)F)c1 2331138228 RRGCRIOISBRULH-UHFFFAOYSA-N 448.514 5.877 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)c3ccccc3)c([N+](=O)[O-])c2)c(C)c1 2331225255 DEUDJZDCAFADQI-IBGZPJMESA-N 429.472 5.817 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)c1ccc(C)c(C)c1 2331231431 BNIPWCNIFMGZHA-UHFFFAOYSA-N 428.528 6.434 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1sccc1C 2331254715 SAAMHPWCWZCGSD-UHFFFAOYSA-N 447.339 6.487 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c(F)c2)cc1Cl 2331455955 YSKQPABCOBHSOY-UHFFFAOYSA-N 446.946 7.040 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C2CCC2)c1 2331504207 XQKFWEUXTQGUOR-UHFFFAOYSA-N 437.525 5.027 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1Cl 2331646636 NTQQLHUBIODOSZ-UHFFFAOYSA-N 448.946 6.698 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1N=Cc1cccc(Cl)c1 2331666371 GEVXLBXPHWYIRW-UHFFFAOYSA-N 441.988 5.114 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(C)cc(Br)c1OC 2365226526 VTHIEOLMJORXOG-MSOLQXFVSA-N 441.410 5.276 30 10 IKEE Cc1ccc(O)c(/C=N/c2ccc(Oc3ccc(/N=C/c4cc(C)ccc4O)cc3)cc2)c1 8427378 BNMMZHNTQUGUDE-YAGSLNJISA-N 436.511 7.008 30 10 IKEE C=CCn1c(SCC(=O)OCc2ccccc2)nc2scc(-c3ccccc3)c2c1=O 19651128 YXMUIMSXPJVRMV-UHFFFAOYSA-N 448.569 5.147 30 10 IKEE N#Cc1ccc(CNc2c(Br)cc(Br)cc2Br)cc1 20504419 BPMLGWWCOAPSHF-UHFFFAOYSA-N 444.952 5.458 30 10 IKEE COc1cc(/C=C2\S/C(=N/c3ccncc3Cl)N(c3ccccc3)C2=O)ccc1O 39864533 VWUCASCRJFLQIA-QNARCQNLSA-N 437.908 5.258 30 10 IKEE C=CCc1ccccc1OCCCCn1c(CNC(=O)c2cccs2)nc2ccccc21 40197061 CGEXRQPPWJLOBC-UHFFFAOYSA-N 445.588 5.616 30 10 IKEE C=C(C)C(=O)NCCCCCc1nc2ccccc2n1CCOc1ccccc1C(C)C 40219776 ASRHSDZSSNINFS-UHFFFAOYSA-N 433.596 5.644 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(OC)c(OC)c4)cc(C)c3C2=O)cc1 41289634 ACECRROQZWZCAK-CFRMEGHHSA-N 444.483 5.410 30 10 IKEE COC(=O)c1c(/N=C/c2c3ccccc3cc3ccccc23)sc(Cc2ccccc2)c1C 59449644 ZWXJGVBCPOCVPC-UXHLAJHPSA-N 449.575 7.491 30 10 IKEE C=CCN1C(=O)c2ccccc2N[C@H]1c1c(OCCCc2ccccc2)ccc2ccccc12 66133159 DKRXKEZYKNODLO-GDLZYMKVSA-N 448.566 6.604 30 10 IKEE CCCCCCCCCCCCCCCCNC(=S)NC(=O)CCCCCCC 100170185 BTZDQZRUDJDLJP-UHFFFAOYSA-N 426.755 7.819 30 10 IKEE CCCCCCCOc1ccc(NC(=O)[C@@H](CC)Oc2ccccc2[C@@H](C)CC)cc1 100260410 ZVNAEFLMSNZDDB-SQJMNOBHSA-N 425.613 7.345 30 10 IKEE CCCCCCCCCCCn1c([C@@H](C)Oc2ccc(Cl)c(C)c2)nc2ccccc21 102189905 RSTIIWFJDUZKRW-JOCHJYFZSA-N 441.059 8.669 30 10 IKEE CCCCCCCCCCCn1c(CNC(=O)c2ccccc2OC)nc2ccccc21 102218125 OIMZSNHWWNBXQP-UHFFFAOYSA-N 435.612 6.506 30 10 IKEE CCCCCCCCCCCn1c(CNC(=O)c2cccc(Cl)c2)nc2ccccc21 102219240 NCCCJJDLEGZSIZ-UHFFFAOYSA-N 440.031 7.151 30 10 IKEE O=C1/C(=C\c2ccc(Br)cc2)Oc2cc(OC/C=C\c3ccccc3)ccc21 103023819 OCBVDSLODJQWGD-IKDWJMPISA-N 433.301 6.158 30 10 IKEE O=C1c2ccccc2/C(=N\N=C\c2cccs2)[C@H]1C(=O)C(c1ccccc1)c1ccccc1 103967442 HVGXDJIYCGJBDN-LUCNECPESA-N 448.547 5.785 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccc(N(CC)CC)cc1 135881992 XBTODQNXBPNENF-XYGWBWBKSA-N 442.032 5.905 30 10 IKEE COc1cc(/C=N\n2c(S)nnc2-c2cccs2)ccc1OCc1ccc(C)cc1 169912447 SFOZMEIHSBITCW-QRVIBDJDSA-N 436.562 5.074 30 10 IKEE CCCOc1ccc(/C=N\Nc2nc(-c3ccc(C)cc3C)cs2)cc1Br 169940691 JSQNTTCIXRCHDS-FMCGGJTJSA-N 444.398 6.424 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(O)c(OCC)c1 169974418 RXRIYOXUWIVBQY-QHCPKHFHSA-N 449.503 5.306 30 10 IKEE CC(C)Oc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccccc2)cc1 169977407 LGSFOTWQWZQTRN-HSZRJFAPSA-N 447.918 5.910 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2ccccn2)c(C)c1 169994334 MGCNIFPUQUXSMH-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE CCCCCCCCCCN1C(=O)C(Sc2ccccc2)=C(c2cccs2)C1=O 170017689 XBEUFPIFSAQNCJ-UHFFFAOYSA-N 427.635 6.761 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1)c1c[nH]c2ccccc12 170063042 WIEXLWJIKMYTJT-QFIPXVFZSA-N 446.865 5.743 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccccc2F)s1 170071203 XPBNXZOORYCWKB-SFHVURJKSA-N 442.899 5.335 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2c[nH]c3ccccc23)cc1 170075271 FFBDLQYUVXIQMF-XMMPIXPASA-N 438.483 5.268 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccc(O)c2)cc1C 170080640 UYOUMMZLRMYYDP-XMMPIXPASA-N 439.467 5.538 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2sccc2C)cc1C 170106921 GPFSYLZTKWAPHN-FQEVSTJZSA-N 437.948 6.110 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1cccc(C)c1 170140863 YPCIIJZQYVQVOV-XMMPIXPASA-N 441.527 5.712 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(C)c2)ccc1Cl 170148471 YEANEFIZEINOBX-JOCHJYFZSA-N 439.939 5.568 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2cccs2)cc1 170156947 WHQGOSIFFMKVSX-HXUWFJFHSA-N 434.473 5.002 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(Cl)cc1 170235739 GWKKULYLFCZYRK-QFIPXVFZSA-N 435.907 5.108 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(Cl)cc2)cc1 170237074 AZEIOHLHHWFDPU-JOCHJYFZSA-N 439.939 5.648 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(C(C)C)cc2)cc1OC 170246151 VLXFTHUAVNIRNN-XMMPIXPASA-N 449.547 5.348 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1c[nH]c2ccccc12 170254292 JMJPYQHZDZCNAA-DEOSSOPVSA-N 438.483 5.268 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccco2)cc1 170279771 KDSYNXVEMFZKRS-OAQYLSRUSA-N 437.517 5.154 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@@H]2c2ccco2)c(C)c1 170288540 HHMPWSJORBUHNH-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccco2)c1 170289999 LFRUXUAEAFWWNX-NRFANRHFSA-N 437.879 5.423 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C)o2)cc1C 170307109 OVXQSJYAHMTZPV-QFIPXVFZSA-N 435.476 5.057 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2sccc2C)cc1C 170315583 FUXZMJIMOOHIPM-JOCHJYFZSA-N 447.556 5.855 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 170346231 QASMUCLVUUJHEU-DEOSSOPVSA-N 436.511 5.639 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccccc1)c1cccs1 170374148 XBPDMIVIGIOBLP-SFHVURJKSA-N 440.318 5.294 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1F)c1cccs1 170381370 QUIPOYJLHQOELH-SFHVURJKSA-N 448.302 5.977 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)/C=C/c2cccc(Cl)c2)nc2c(C)cccc12 170536809 AIMZSGTVEBTEMI-MDZDMXLPSA-N 427.895 5.214 30 10 IKEE CCCN1C(=O)/C(=C\c2cc(Br)ccc2O)SC1=Nc1ccc(OC)cc1 252603477 FSAKZRQTWREXPL-FNLGWUMESA-N 447.354 5.177 30 10 IKEE CCc1ccc(N=C2S/C(=C/c3ccc(OC)c(Br)c3)C(=O)N2C)cc1 252620710 MKGALFJXTVPANF-FNLGWUMESA-N 431.355 5.254 30 10 IKEE CCOc1ccc(N=C2S/C(=C/c3ccc(OCC)cc3OCC)C(=O)N2CC)cc1 252635529 WXWAAZQLYYRCHU-LAJNNLEESA-N 440.565 5.507 30 10 IKEE Oc1ccccc1C=Nc1ccc(-c2nc3cc(N=Cc4ccccc4O)ccc3[nH]2)cc1 254757146 AWUNALUYKQQNCJ-UHFFFAOYSA-N 432.483 6.142 30 10 IKEE CCc1cccc(C)c1N=C1N=C(N2CCOCC2)N(c2ccc(C)cc2)C12CCCCC2 254867189 AXAIDBXKQHQGMY-UHFFFAOYSA-N 444.623 5.807 30 10 IKEE Cc1cc(NC(=O)c2cccc(OCc3ccccc3)c2)cc(B2OC(C)(C)C(C)(C)O2)c1 405024556 HTIVFRFYVYFEMK-UHFFFAOYSA-N 443.352 5.126 30 10 IKEE Cc1ccc([C@H]2C(c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2c2ccccc2C#N)o1 526607463 QVKCZAANAWHMEH-FQEVSTJZSA-N 425.271 5.824 30 10 IKEE CCCOc1ccc(/C=N\n2c(CCC)nnc2SCc2ccc(C)cc2)cc1OC 526804423 SDPUSHNTFVEJKP-XYGWBWBKSA-N 438.597 5.511 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1cccc(OCC)c1OC 526811233 FRINDVZTSFZLAC-OYKKKHCWSA-N 444.988 5.466 30 10 IKEE Fc1cccc(Cl)c1/C=N\n1cnnc1SCc1ccc(Br)cc1 526819418 HHHVOIDZEGBFFY-WNFQYIGGSA-N 425.714 5.008 30 10 IKEE CC(C)(C)OC(=O)N1CCC([C@@](C)(C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)CC1 698347721 DPXLMKQGVGLCMD-XMMPIXPASA-N 435.609 5.486 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1ccc(F)c(C#N)c1 698455513 CTKBWQMUUZCESU-SFHVURJKSA-N 430.277 5.466 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@]1(C#N)CCCN(Cc2ccccc2)C1 698891142 MXZMZKCXHDZOIL-DEOSSOPVSA-N 425.960 5.640 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@@](C)(C#N)c1ccc(Br)cc1F 698916054 NJCIZTPKFSSRBK-FQEVSTJZSA-N 437.284 5.908 30 10 IKEE CC(=NNC(=N)S[C@@H]1CC(=O)N(c2ccccc2)C1=O)c1ccc(C2CCCCC2)cc1 1084242609 YXLKORQCNCWUAX-JOCHJYFZSA-N 448.592 5.048 30 10 IKEE O=[N+]([O-])c1ccc(C=Nc2ccc3nc(SCCOc4ccccc4)sc3c2)cc1 1084426436 FHZXGPYFTBOXQY-UHFFFAOYSA-N 435.530 6.126 30 10 IKEE Cc1csc(N=C2S/C(=C\c3ccc(C(C)C)cc3)C(=O)N2C2CCCCC2)n1 1772734757 DHHCSZNPZNBSEC-QUXILYDTSA-N 425.623 6.512 30 10 IKEE CCN1C(=O)/C(=C/c2cccc3ccccc23)SC1=Nc1nc(-c2ccccc2)cs1 1772736106 JDXAFCLLBBHESA-OWJZXNPYSA-N 441.581 6.587 30 10 IKEE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1C(=NNc1ccc(F)cc1)CCC2 1772750083 XDHHYANNRJJDHT-UHFFFAOYSA-N 445.416 6.151 30 10 IKEE Cc1sc2nc(-c3cccnc3)n(Cc3cccc(C#N)c3)c(=O)c2c1-c1cccs1 1857803913 NPWGWJSQZBRAAT-UHFFFAOYSA-N 440.553 5.477 30 10 IKEE N#Cc1c(-c2ccccc2)ccnc1Nc1cccc(-c2csc(-c3ccccn3)n2)c1 1859861575 GTJWSALOQSCXMC-UHFFFAOYSA-N 431.524 6.549 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc(F)c1 1862431024 XYWQLIIXJPYRLS-IVZQSRNASA-N 435.882 5.819 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@H]2c2cccc(O)c2)cc1 1862431040 YHBUHDUKRSRWBQ-JOCHJYFZSA-N 433.891 5.133 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccccc2C)cc1 1862443102 NHQLXRGBDSPBQX-DEOSSOPVSA-N 445.946 5.778 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(F)cc1F)c1cccc(Cl)c1 1862445922 HIOIVSPKVZBBAF-IBGZPJMESA-N 445.874 5.458 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccccc1Br 1862452820 LLNNSWKMFOCUGO-GOSISDBHSA-N 448.744 5.481 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2cccc(C)c2)cc1 1862476030 ZVTPVDIFZDJSRT-HSZRJFAPSA-N 431.919 5.735 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCC2)cc1 1862483528 BTPDRGPCFBCANJ-VWLOTQADSA-N 447.575 6.085 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2cccc(OCc3ccccc3)c2)cc1 1862484629 TVJFWVKSDQBSIB-VWLOTQADSA-N 441.527 5.561 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(C)cc1 1862486663 INAMVOGKWVFDSJ-VWLOTQADSA-N 441.527 5.399 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cccc(F)c1 1862488580 CQSGXPSQDRBVTO-HSZRJFAPSA-N 439.527 5.228 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccccc2C)cc1 1862490190 POHGZTKRNKNXOT-RUZDIDTESA-N 425.528 5.699 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccccc1)c1ccc2c(c1)CCCC2 1862544204 YNJGZRKXEREIOI-RUZDIDTESA-N 429.560 5.867 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2[C@@H](C)CC)ccc1O 1862550336 GFPKOWIWEJKXGS-UPCLLVRISA-N 449.547 5.047 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(Cl)c(Cl)c1 1862551317 STTZUNAGKKCMBB-NRFANRHFSA-N 442.342 5.637 30 10 IKEE CCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccccc1 1862587900 CATYVQXXXZYZFJ-DEOSSOPVSA-N 435.564 6.111 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1CCc1ccccc1 1862648775 JONVZAYXMCCTKW-MHZLTWQESA-N 447.534 5.969 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(OC)cc1 1862652507 IGSPIQGWFFZAFK-VWLOTQADSA-N 443.543 6.007 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc2cc[nH]c2c1 1862660801 MLGXOGPXZLDZMA-VWLOTQADSA-N 444.575 6.450 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(C(F)(F)F)cc1 1862706539 YXYMZIXJNRHLGC-HXUWFJFHSA-N 447.453 5.483 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1F 1862735568 NYRXCVIMUMQPAG-OYHNWAKOSA-N 446.434 5.073 30 10 IKEE COc1ccc([C@H]2CN(c3cc(Nc4cccc(C#N)c4)nc(C(C)C)n3)CCS2)cc1 1868221249 HDSWPCSHEBGHTI-JOCHJYFZSA-N 445.592 5.518 30 10 IKEE N#Cc1ccc(Nc2cc(N3CC[C@@H](c4ccco4)C3)nc(-c3ccccc3Cl)n2)cc1 1868426436 TWPDDZKBSOURDI-GOSISDBHSA-N 441.922 5.999 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3cc(OC)ccc3[C@H]2C)nc(-c2ccccc2)n1 1869199036 GMUQLBZGPGDPLC-HXUWFJFHSA-N 426.564 5.454 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N2C[C@H](C)C[C@@H](C)C2)nn1-c1ccc(OC)cc1 1870017152 VGUQUPNTOPEEKJ-WOJBJXKFSA-N 441.620 5.447 30 10 IKEE CCCCCCN(CCCC)c1nc(NC(=O)c2cccc(C#N)c2)n(-c2ccccc2)n1 1870057209 ZFOULQUHIIDXLF-UHFFFAOYSA-N 444.583 5.578 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)c(Cl)c2)c(=O)cc1CSc1ccccn1 1870253059 SUCRXCIHGUYMEK-UHFFFAOYSA-N 433.360 5.607 30 10 IKEE CCCCCCCCCCn1cc(OCC)c(=O)cc1CNc1cccc(Cl)c1C 1870784769 DCVUOAOEERKHCI-UHFFFAOYSA-N 433.036 6.962 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(O)cc2)c(CNc2ccc(C)cc2)cc1=O 1870839514 NLIWKBVWYPVSCN-UHFFFAOYSA-N 434.580 5.872 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccco1)C3=O)CN([C@@H](C)c1ccc3c(c1)CCCC3)CO2 1871360225 XICVTGMSTXNXPF-BDFPJNNISA-N 441.527 5.996 30 10 IKEE CCOc1ccc(CC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871375627 VKAUOCWSGOQAKG-QRVIBDJDSA-N 432.447 5.297 30 10 IKEE Cc1c(OC(=O)c2cccc(Oc3ccccc3)c2)ccc2c1O/C(=C\c1ccncc1)C2=O 1871379001 FMMPBDODGFSWBU-XYGWBWBKSA-N 449.462 6.018 30 10 IKEE Cc1cc(OC(=O)CCc2cccs2)cc2c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O2 1871392268 SLCARTOGQMZBKP-UCQKPKSFSA-N 432.541 6.334 30 10 IKEE Cc1c(OCCOc2ccccc2F)ccc2c1O/C(=C\c1cn(C)c3ccccc13)C2=O 1871416999 HRBWPYYKTSQAFY-MYYYXRDXSA-N 443.474 5.700 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3cccc(Cl)c3)ccc2C1=O 1871454218 DVENUBMOZZUVKT-FMCGGJTJSA-N 449.890 5.372 30 10 IKEE CCCCc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871455568 UEOHZPJTXSIFLM-IWIPYMOSSA-N 431.488 5.564 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccc(C)c(Cl)c4)c3C)C2=O)o1 1871457135 QWZVWSGSFIVUTC-NHDPSOOVSA-N 437.879 5.492 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(Cl)cc2)[nH]c(N(CCC)CCCC)n1 1871523825 GLXOJQIDIDHHRQ-UHFFFAOYSA-N 447.071 6.479 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc(C)c(C)c1 1871973084 OWEBHIRHSCTYGI-HSZRJFAPSA-N 446.588 5.207 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cccc(Cl)c1C)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1872438092 KYUTZBDHFPETGK-HTAPYJJXSA-N 449.016 5.269 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 1872458731 XSTSOZQDEJVKOL-QFIPXVFZSA-N 449.016 5.413 30 10 IKEE N#C[C@H](C(=O)c1ccc(-c2ccccc2)cc1)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872760743 XCNNQWCNDCNIHU-RUZDIDTESA-N 434.564 6.846 30 10 IKEE COc1cc(OC)cc(C(=O)[C@H](C#N)c2nc(-c3cccc(Br)c3)cs2)c1 1872763000 BSESUVQEKWLJDH-KRWDZBQOSA-N 443.322 5.080 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3cc(C)c(Cl)c(C)c3)n2)cc1 1872769957 DWFUFHIYSYCYNX-HXUWFJFHSA-N 438.980 6.424 30 10 IKEE N#C[C@H](C(=O)Cc1ccc(Cl)c(Cl)c1)c1nc(-c2cccc3ccccc23)cs1 1872775631 WCXQUVSACYLCGF-GOSISDBHSA-N 437.351 6.689 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)c(Cl)c3)n2)c(OC)c1 1872784914 ZYDSYOFWCUSQRV-AWEZNQCLSA-N 433.316 5.624 30 10 IKEE CCCCCCCCCCNC1=C(c2c(Cl)cccc2Cl)C(=O)N(C(C)C)C1=O 1873093874 AZHFIFUSVSNVTG-UHFFFAOYSA-N 439.427 6.212 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(N(C)C)cc2)=C(c2cccnc2)C1=O 1873265587 RARHVYHESZYMCU-UHFFFAOYSA-N 448.611 5.480 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2[C@@H](C)CC)=C(c2ccccc2C)C1=O 1873305401 BNCSKPYCYJXDOM-NRFANRHFSA-N 446.635 7.061 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(OC(C)C)c2)=C(c2ccc(C)cc2)C1=O 1873367508 DXFXWAZGAKYEPF-UHFFFAOYSA-N 448.607 6.335 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(Oc3ccccc3)cc1)n2CCC 1873612934 PMOHYINMAKHOAW-UHFFFAOYSA-N 427.508 5.484 30 10 IKEE C=CCn1c(C(=O)Nc2ccccc2)cc2c(NCCCCCCCCCC)ncnc21 1873629319 WFMMPEISWDDIGC-UHFFFAOYSA-N 433.600 6.422 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1cccc(F)c1 1874214461 MZLAXJMIPXULGV-BUVRLJJBSA-N 430.936 5.243 30 10 IKEE Cc1ccc(CSc2nnc(Cc3cccc4ccccc34)n2/N=C/c2ccccc2)cc1 1874271498 ZHQLETALJDTILR-VUTHCHCSSA-N 448.595 6.505 30 10 IKEE Cc1cccc(OCc2nnc(SCc3ccccc3F)n2/N=C/c2ccco2)c1C 1874323309 IYRMAJUENHNJFW-DHRITJCHSA-N 436.512 5.381 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(OCCCC)cc1 1874365844 XSZZIMIZAJJQRM-MFKUBSTISA-N 441.000 6.328 30 10 IKEE COc1cccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2cccc(F)c2)c1 1874417202 DVTFZXIZEXBNGK-WGOQTCKBSA-N 432.524 5.191 30 10 IKEE O=[N+]([O-])c1cccc(/C=N/n2c(SCc3cccc(F)c3)nnc2-c2cccs2)c1 1874421290 DXOASZGEVFVIEY-WSDLNYQXSA-N 439.497 5.228 30 10 IKEE CCOc1c(/C=N/n2c(SCc3ccc(C)cc3)nnc2-c2ccco2)cccc1OC 1874463862 FYKCLEVWVGGNIR-MFKUBSTISA-N 448.548 5.428 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1cc(OC)ccc1OC 1874478649 KQEGDUWAXOHAFL-ZVHZXABRSA-N 444.988 5.466 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccccc1OC 1874511087 JVYIEPHRUMQOPS-FSJBWODESA-N 435.380 5.721 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccccc1C(=O)O 1874511478 ZZPXMVSTLUJWSK-FOKLQQMPSA-N 449.363 5.410 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2ccc(Cl)cc2)cc1C 1874517606 BZFSNLKDSNCEIX-WYMPLXKRSA-N 439.972 5.039 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2c(C)cccc2C)cc1 1874572361 JNXBYUJVJWBSEU-WUKNDPDISA-N 443.543 5.788 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCc3cccc4ccccc34)ccc3ccccc23)cc1 1874574708 ATKRBWCFEMOWFV-VHEBQXMUSA-N 444.530 7.477 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(F)cc2F)c1OCc1ccccc1F 1874576261 FTKVGPFEBKQRQE-RMKNXTFCSA-N 432.825 6.241 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(C)cc2C)c1 1874578832 JEZBEEJMIBDOOY-DHZHZOJOSA-N 433.935 6.179 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OCc1ccc(Cl)cc1Cl 1874595232 ASPOFQAZYMHORN-WEVVVXLNSA-N 447.745 7.131 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cccc(OCC(=O)N[C@H](C)c2ccccc2)c1 1874599510 PVGSEOZFRIONAL-QZMUEMGWSA-N 443.543 5.464 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1OC 1874602940 HCKARYUHFWDEPF-BJMVGYQFSA-N 443.326 6.486 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCCc3ccccc3)c(Br)c2)cc1 1874604602 WGSFNIQADVVDDS-GXDHUFHOSA-N 435.361 6.529 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OCC(=O)Nc1cc(C)cc(C)c1 1874614450 GYIMPAMYSHTLKG-ZRDIBKRKSA-N 429.516 5.616 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 1874618261 RKTYTMZGNALFHG-UKTHLTGXSA-N 431.488 6.085 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(OC)c1OCc1ccc(Cl)cc1 1874618650 LTWNCGNUPMZMKA-IZZDOVSWSA-N 440.898 6.280 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3C)c(Cl)c2)c(C)c1 1874634049 IVZJBTAPFNFBMB-PKNBQFBNSA-N 447.962 6.487 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(F)cc1 1874668974 SKLCDBPJTGSQLF-XMMPIXPASA-N 437.559 5.125 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1cccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1 1874692384 DCCKMZLGHYQOOX-CCEZHUSRSA-N 437.451 5.792 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C(C)C)cc3)c2)c1 1874709309 AKMJDUOGEKHCRU-RIYZIHGNSA-N 444.527 5.871 30 10 IKEE C=CCN(CC=C)CCC(=O)c1cccc(OC(=O)c2ccc3cc(Cl)ccc3n2)c1 1874738211 GIQCIAZGSVUCQT-UHFFFAOYSA-N 434.923 5.354 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccccc2)CSc2nnc(-c3ccccc3)n21 1874931051 VWBRXJYITSPTLK-JOCHJYFZSA-N 434.609 6.007 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(Br)c1OC(=O)CC 1875101296 RVHKONNCWHIAMN-MDZDMXLPSA-N 433.298 5.068 30 10 IKEE Cc1cncc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3Cl)cc2Cl)c1 1875104746 MEXMQEGQBUPLOW-QHHAFSJGSA-N 446.717 6.466 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2Cl)c1 1875126034 MQCUIBMTCZXXHT-WUXMJOGZSA-N 441.310 6.507 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)CC1CCCCC1 1875139226 YBHGPXOYOHKUFH-VAWYXSNFSA-N 440.967 6.737 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2cccc(Cl)c2)c(Cl)c1 1875143318 UNQVVWUUSMEEOR-VQHVLOKHSA-N 441.310 6.426 30 10 IKEE CCCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OC 1875156713 KOAUQISFORYGFS-KPKJPENVSA-N 445.353 6.183 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)CCCSC 1875161937 ODNTUPROGSMPQV-VMPITWQZSA-N 440.895 5.572 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N(C)CCCC)n2CC(C)C 1875210230 PSYONBGOUZFFTO-UHFFFAOYSA-N 443.680 6.512 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)c(C)c1 1876846063 MXGBRPJHFSCMLC-MOPGFXCFSA-N 425.411 5.658 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCCC)c2c(F)cccc2Br)C1 1892692244 VKVZPSZVEMSLAE-QGZVFWFLSA-N 427.358 5.242 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](O)c1c(Cl)cccc1Br 1922047997 XKYSCNBWXJTHGT-RTWAWAEBSA-N 438.793 5.277 30 10 IKEE CC(C)(C)OC(=O)NCC[C@H]1CCC[C@@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C1 1950516406 NOTVPJMLOFQESP-FOIQADDNSA-N 449.514 5.153 30 10 IKEE N#Cc1cccc([C@@H](CCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 1951638356 DLOGUFXKGGSDHN-XMMPIXPASA-N 426.472 5.003 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)NCCC 2003578648 ZWDDTZTYIQRPOB-VXNXHJTFSA-N 430.633 5.601 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C)([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)C1 2022136281 GCPGAWRJBAVYLC-MBSDFSHPSA-N 433.524 5.106 30 10 IKEE C=CCC1([C@H](O)c2ccc(Cl)c(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2035955563 JULFMABMGHPUTQ-OAHLLOKOSA-N 434.733 5.088 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@@]1(C#N)CCN(Cc2ccccc2)CC12CCC2 2037437495 KTWABRRKGRFTET-HHHXNRCGSA-N 431.580 5.767 30 10 IKEE C=CCC1([C@@H](O)c2c(Br)ccc(Cl)c2F)CN(C(=O)OC(C)(C)C)C1 2037644544 CYWCIPIUHGESBD-HNNXBMFYSA-N 434.733 5.088 30 10 IKEE C[C@@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)[C@@H](OCc2ccccc2)C1 2043772322 ISJXKSBTCUSRTH-FRPAHBMMSA-N 438.543 6.235 30 10 IKEE Cc1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)sc1Cl 2046767837 CXVXFOSOLVYMAE-CQSZACIVSA-N 441.778 6.479 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@H](CNC(=O)OC(C)(C)C)C2(C)C)c1 2053048089 KMYNGJVIDBVBMF-IQGLISFBSA-N 443.588 5.570 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Cl)c(Br)c1F 2063090959 XQQZVSUGAPWWMN-XJKSGUPXSA-N 435.765 5.362 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCC2)CC12CCCCC2 2074138382 JKVWTQMNXUEAHR-VWLOTQADSA-N 447.620 5.772 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(Br)ccc(Cl)c1F 2098966236 PZHHHMWJCRAHIL-PBHICJAKSA-N 447.776 5.199 30 10 IKEE CN(CCc1ccc(Nc2ccc(Br)cc2C#N)cc1)C(=O)OC(C)(C)C 2162300724 IZTKTSAVBJXGEC-UHFFFAOYSA-N 430.346 5.474 30 10 IKEE CN(c1cc(Br)cc(F)c1C#N)[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2163698823 SCDZTJPLZPDCTK-BWTSREIZSA-N 428.349 5.092 30 10 IKEE COc1cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)ccc1F 2166599719 NOAYSOFEJQRPII-KRWDZBQOSA-N 435.293 5.603 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CCCC12CC2 2214442384 CLRREAZYJRBRCH-ATIYNZHBSA-N 428.617 5.355 30 10 IKEE CC1(C)OB(C2CCN(C(=O)c3cscc3OCc3ccccc3)CC2)OC1(C)C 2216950336 PUZHBJVEJGORJJ-UHFFFAOYSA-N 427.375 5.026 30 10 IKEE C=CCCCCCCC[C@H](NCC)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2220092585 MSCXODXTIUZNJZ-LOSJGSFVSA-N 445.692 5.907 30 10 IKEE C=C(CCNC(=O)OC(C)(C)C)CNCc1cc(C(F)(F)F)ccc1Br 2228044364 AIZRFEODTSVNHV-UHFFFAOYSA-N 437.300 5.029 30 10 IKEE C=CCCCCCCCC(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248466039 WPLBADXLGZPUFW-UHFFFAOYSA-N 429.601 5.926 30 10 IKEE C=CCCC1(C(=O)c2c(Cl)cccc2Br)CN(C(=O)OC(C)(C)C)C1 2254925224 MLGFYZABBLVMTB-UHFFFAOYSA-N 428.754 5.489 30 10 IKEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccccc2)cc1 2296088737 NWZPFVLGNMYBSF-OAQYLSRUSA-N 426.497 5.231 30 10 IKEE CC(C)[C@H](CCNC(=O)OC(C)(C)C)CC[C@H](O)C#Cc1cccc(Br)c1 2296226547 GPKSRSQZNNCTFO-AZUAARDMSA-N 438.406 5.129 30 10 IKEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@](C)(NC(=O)OC(C)(C)C)C(C)(C)C 2296278369 CSCZJKXVXCKDIV-PGRDOPGGSA-N 437.422 5.108 30 10 IKEE CCOc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2ccc(F)cc2)cc1 2296939510 NXOUPXDCLRTMHD-RUZDIDTESA-N 443.474 5.407 30 10 IKEE Cc1nc(N2C(=O)C(=O)C(=C(O)c3ccccc3)[C@H]2c2ccc(C(C)C)cc2)sc1C 2297056631 MXMUOWKXALQQEG-OAQYLSRUSA-N 432.545 5.510 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1[C@@H](C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 2302804145 UBAVPGQLGFGAIH-IPMKNSEASA-N 449.617 5.461 30 10 IKEE O=C1NC(=Nc2ccccc2)SC1=Cc1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 2313518225 WSBUHFHIXGMPCX-UHFFFAOYSA-N 431.473 5.065 30 10 IKEE CCCCCCCCCCCCCCCCNC(=S)NC(=O)C=CC(=O)OCC 2313602193 DFVJCVMLEOEODS-UHFFFAOYSA-N 426.667 5.578 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(Cl)cc2Cl)SC1=Nc1ccc(C(=O)O)cc1 2314926550 LNCHSBFATSQWQB-UHFFFAOYSA-N 433.316 5.482 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(C(C)(C)C)cc1 2318571974 XLRZPRMAWJEDJO-UHFFFAOYSA-N 441.044 6.746 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C)NCCC 2320761093 ANKYZDWCVLMRBA-SGNDLWITSA-N 444.660 5.847 30 10 IKEE CCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1N=Cc1ccc(C(C)C)cc1 2320936288 JWURIDVVJRBCIL-UHFFFAOYSA-N 435.597 5.194 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O3)CN(C1CCCCC1)CO2 2322016397 VRQLWIXWEXQMPD-UHFFFAOYSA-N 431.576 6.393 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1c(Cl)cccc1Cl)O3)CN(CCCN(C)C)CO2 2322034925 JDZHOTXRSFDBMX-UHFFFAOYSA-N 447.362 5.022 30 10 IKEE COc1ccc(OC)c(C=C2Oc3c(ccc4c3CN([C@H]3CCCC[C@H]3C)CO4)C2=O)c1 2322145855 MDHKGTCUGRVCJV-IERDGZPVSA-N 435.520 5.051 30 10 IKEE COc1cccc(C=CC(=O)c2ccccc2Cl)c1OCC(=O)N[C@@H](C)c1ccccc1 2322437025 IXERRXKYRBNORG-SFHVURJKSA-N 449.934 5.501 30 10 IKEE COc1ccc(Br)cc1C=C1Oc2c(ccc(OC(=O)C(C)(C)C)c2C)C1=O 2322648617 SCLQKLTVZFHNED-UHFFFAOYSA-N 445.309 5.334 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OC)c1OCC(=O)Nc1ccccc1F 2322657652 DUUFYIJKDFSWSP-UHFFFAOYSA-N 449.478 5.065 30 10 IKEE COc1ccc(CC(=O)Oc2cc(C)c3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1 2322904385 UOVOXYHNUNKAPJ-UHFFFAOYSA-N 426.468 5.324 30 10 IKEE CCCOC(=O)COc1ccc2ccccc2c1C=CC(=O)c1cc(C(C)(C)C)ccc1C 2322953104 BPUCXAGNQJGXQK-UHFFFAOYSA-N 444.571 6.674 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OCc3cccc(Cl)c3)c2)c(OCC)c1 2323286169 YERKMCACOXWLJW-UHFFFAOYSA-N 436.935 6.613 30 10 IKEE CCCOC(=O)COc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1Cl 2323348062 QEUMPXXGZKDGKS-UHFFFAOYSA-N 434.919 6.235 30 10 IKEE O=C1C(=Cc2cccc([N+](=O)[O-])c2)Oc2cc(OC(=O)c3cccc4ccccc34)ccc21 2323472481 CKPRPKJPMNNQPK-UHFFFAOYSA-N 437.407 5.583 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(Cl)cc3Cl)cc2)c1 2323511706 GWWXDBLRMZWBBE-UHFFFAOYSA-N 440.326 6.215 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1cccc(C)c1 2323532465 CGQVAXHUUKPZFF-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE CCCOc1ccc(C=Nn2c(Cc3ccccc3)nnc2SC)cc1Br 2323582905 YWRQJCXZZKFOGY-UHFFFAOYSA-N 445.386 5.024 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2F)cc(OC)c1OCCc1ccccc1 2323739781 NLAUUNGWQXARSD-UHFFFAOYSA-N 434.482 6.220 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OCc1cccc2ccccc12 2323985342 GEWAYESCRMHXDE-UHFFFAOYSA-N 426.487 6.771 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OCC(=O)Nc1ccccc1 2324319218 VZMJTRKVMUNRAC-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4cc(C)ccc4C)cc(C)c3C2=O)cc1 2324455968 BYTSYFFHVAGARG-HXUWFJFHSA-N 441.527 5.942 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2cccc(F)c2)C3=O)c(C)c1 2324494229 FSSWVABVGJQRGF-QGZVFWFLSA-N 431.463 5.465 30 10 IKEE COc1c(Cl)cc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(C)cc3)n2)cc1Cl 2324800714 YGUGVOWFUPLPHP-MRXNPFEDSA-N 443.355 6.324 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(Cl)cc4)ccc3C2=O)cc1 2325513155 LVRYXORLOSSNLS-UHFFFAOYSA-N 449.890 5.372 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1N=Cc1cccc(OC)c1OCC 2325522105 UWQIFKSIZWRCNW-UHFFFAOYSA-N 442.560 5.342 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(OCCN4CCCCC4)c3C)C2=O)c2ccccc21 2325701432 LOHUZBLQLTWIDA-UHFFFAOYSA-N 430.548 5.451 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2ccccc2)cc1OC(=O)c1ccccc1 2325732061 IJZAKGGPLQQDPI-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(OC)c(OC)c3)c2)cc1 2325739229 DTYZOTQVDSCEGC-UHFFFAOYSA-N 446.499 5.608 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2cccc(OC(=O)CCc3ccccc3)c2)c1 2325758319 QHXDXLDBPLZYEG-UHFFFAOYSA-N 444.527 5.918 30 10 IKEE COc1ccc(OCCCC(=O)Oc2cccc(C=CC(=O)c3ccc(C)c(C)c3)c2)cc1 2325760501 LMYNQCOABPKORZ-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(OCC)cc1OCC 2326272439 MFKJCKHTOBPAJH-UHFFFAOYSA-N 442.560 5.342 30 10 IKEE CCCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccccc1Cl 2326608196 YJWFPHKPIHRGBS-UHFFFAOYSA-N 434.996 6.254 30 10 IKEE CCCOc1ccccc1C=Nn1c(C)nnc1SCc1ccc(Br)cc1 2326618107 IQBQQMCAXKVOLI-UHFFFAOYSA-N 445.386 5.312 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2Cl)n1N=Cc1ccc(OCC)cc1 2327649414 TYKUCJUHYLYQMM-UHFFFAOYSA-N 442.972 5.460 30 10 IKEE CCCCC1CCC(c2nnc(SCC)n2N=Cc2ccc(O)c([N+](=O)[O-])c2)CC1 2328145330 AGYAAUUHLMXLEX-UHFFFAOYSA-N 431.562 5.350 30 10 IKEE C=C(C)CSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1ccc(N(C)C)cc1 2328156073 RPYHTVCOJYNUMR-UHFFFAOYSA-N 439.673 6.359 30 10 IKEE Cc1ccc(OCc2nnc(SCCc3ccccc3)n2N=Cc2ccco2)cc1C 2328794574 TUYIGAQJFPQIPN-UHFFFAOYSA-N 432.549 5.284 30 10 IKEE CCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2329086748 SJLSFNYWVRENOF-UHFFFAOYSA-N 436.324 5.078 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc[nH]1 2329745844 JXRXHVMNFWQDKQ-UHFFFAOYSA-N 425.920 5.164 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2N=Cc2ccccc2O)cc1 2330032547 JPBNARSNZMLAGC-UHFFFAOYSA-N 448.979 5.711 30 10 IKEE Clc1ccc(CSc2nnc(Cc3cccs3)n2N=Cc2cccs2)cc1 2330422427 JHMCJDDZFBTROS-UHFFFAOYSA-N 431.011 5.820 30 10 IKEE Cc1ccsc1C=Nn1c(SCc2cccc3ccccc23)nnc1-c1cccs1 2330596191 FLJRSKQUFIFMFX-UHFFFAOYSA-N 446.626 6.704 30 10 IKEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(Cl)cc1 2330645879 LNSFFWFXPYTMGA-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3c(F)cccc3Cl)c(OC)c2)cc1 2330770413 HJSKJIROCPVMFF-UHFFFAOYSA-N 438.882 6.165 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 2330804453 JDOULDMZJFMCAP-UHFFFAOYSA-N 441.310 6.507 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)c1cccs1 2331086591 SITVUOPNDMRMKL-UHFFFAOYSA-N 430.428 5.159 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)C(F)(F)F 2331246521 WRNWCELXUBAQOH-UHFFFAOYSA-N 433.209 5.756 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)c1ccccc1Cl 2331255937 IJOJUUZPWFXPCP-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccccc2CC)n1N=Cc1ccc(C)cc1 2331322819 VCHUIVIFYMIPNH-UHFFFAOYSA-N 435.597 5.105 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1cccs1 2331411934 SCWOKUYTIJTSNL-UHFFFAOYSA-N 425.410 6.118 30 10 IKEE Cc1ccc(C=Nn2c(SCC(=O)Nc3cc(C)ccc3C)nnc2C2CCC2)cc1 2331484432 NLGIGIJRGABZKE-UHFFFAOYSA-N 433.581 5.084 30 10 IKEE CCCOc1ccccc1C=Nn1c(COC)nnc1SCc1c(F)cccc1Cl 2331624861 IANVQJVFWCEXCJ-UHFFFAOYSA-N 448.951 5.180 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)Cc1ccccc1 2331630142 SEDSNEYTSINSPH-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CC(C)C)c(OC)c2)c(OCC)c1 2331739860 CLBIEUHYBBEYDP-UHFFFAOYSA-N 426.509 5.340 30 10 IKEE CC1(C)OB(/C=C/c2ccc(Nc3ccccc3I)nc2)OC1(C)C 2339578636 JVDMOOWPQDGABD-VAWYXSNFSA-N 448.113 5.074 30 10 IKEE CC1(C)OB(/C=C/c2ccc(Oc3cccc(OCc4ccccc4)c3)nc2)OC1(C)C 2339591758 GKOIHHXQPOCGRA-FOCLMDBBSA-N 429.325 6.098 30 10 IKEE C=CCC(CC=C)[C@@H](NC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2364011137 IVMISYPFLPPIBG-VQTJNVASSA-N 437.422 5.241 30 10 IKEE C=C(C)CN1C(=O)COc2ccc(NC(=O)CC(c3ccccc3)c3ccccc3)cc21 12169714 KGMNYRMGPRURTC-UHFFFAOYSA-N 426.516 5.149 30 10 IKEE C=CCOc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(Cl)cc2)cc1 20892390 WPCHVZGVYJGXNQ-NRFANRHFSA-N 425.941 5.174 30 10 IKEE O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@H](c1ccc3ccccc3c1)Nc1ccccc1N2 21248313 QWOPBSRALSXGNI-ZTOMLWHTSA-N 434.514 6.958 30 10 IKEE C=CCn1c(SCc2csc(CC)n2)nc2scc(-c3cccs3)c2c1=O 21953574 AMODYLALWBXWKI-UHFFFAOYSA-N 431.633 5.684 30 10 IKEE O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(NC(=O)c2ccco2)c1 28355949 XZVDMONATQLKKA-ZRDIBKRKSA-N 428.400 5.596 30 10 IKEE CC(C)c1ccc(/C=C2/Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc3C2=O)cc1 33812296 SRNBESRPWCDOBQ-FSJBWODESA-N 429.428 5.554 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 34954119 LIDJTOSHWNAQAY-LZYBPNLTSA-N 428.528 6.416 30 10 IKEE Cc1ccc(C(C)C)c(OCC(=O)c2c(C)c(C#N)c(=O)n([C@@H](C)c3ccccc3)c2O)c1 38623291 CHEXYZOEVGMDCF-IBGZPJMESA-N 444.531 5.037 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1cccc(OCC)c1 40098364 YPNALQPXFWPACN-JOCHJYFZSA-N 449.503 5.219 30 10 IKEE Fc1ccc(CSc2n[nH]c(N/N=C/c3ccc(OCc4ccccc4)cc3)n2)cc1 59309660 IEQXQGZTEDJUNR-AFUMVMLFSA-N 433.512 5.261 30 10 IKEE O=C(/C=C\c1ccc(-c2cccc(Br)c2)o1)c1ccc(N2CCOCC2)cc1 96793847 KQKZCOCKAQRIPF-NTMALXAHSA-N 438.321 5.442 30 10 IKEE CCOc1cc(/C=C2/S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)ccc1O 100223293 BKSBJZRIXRIOKB-YCJCGMCGSA-N 444.556 5.464 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(Br)cc2)S/C1=N/c1cccnc1Cl 101126742 KQLUVROGOHVIET-ZLOINBNRSA-N 434.746 5.288 30 10 IKEE CCN1C(=O)/C(=C/c2cccc(OCc3ccc(C)cc3)c2)S/C1=N/c1nc(C)cs1 101129126 UOTCPNLLTPOOMJ-JFDXAFBFSA-N 449.601 5.963 30 10 IKEE CCCCCCCCCCCCCCCCn1c([C@H](O)c2ccccc2)nc2ccccc21 102180767 HQRISQZMXWTVGM-GDLZYMKVSA-N 448.695 8.599 30 10 IKEE Cc1cc(N2C(=O)C(=O)/C(=C(\O)c3ccc(Cl)cc3)[C@H]2c2ccc(C(C)C)cc2)no1 102709955 CIASECJJAFKZNO-SADKCHQCSA-N 436.895 5.386 30 10 IKEE C=CCN1C(=O)C[C@H](C(=O)Nc2cccc(Cl)c2)S/C1=N/c1ccc(Cl)cc1 104912729 FVIBBWJCCMJIIH-OCLJWFPGSA-N 434.348 5.140 30 10 IKEE CCCCCCCCc1nc(N)c(C#N)c(-c2ccccc2OC)c1CCCCCCC 105656482 VIKRZBRAWFPCGD-UHFFFAOYSA-N 435.656 7.627 30 10 IKEE C=CCOc1ccc(/C=C2/S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc1Br 108757068 AMFZFKFGBQGKPC-YMFQVDJJSA-N 445.382 5.176 30 10 IKEE COc1ccccc1/C=C1/Oc2cc(OC(=O)c3ccc(C(C)(C)C)cc3)ccc2C1=O 110520680 VORRFCFVZVPCSS-BUVRLJJBSA-N 428.484 5.828 30 10 IKEE CCCCCCCCSc1nc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2s1 138165851 RBYDFXAPMDTYEB-IFCLKOLQSA-N 440.634 6.060 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@H]2c2ccc(OC)cc2)cc1 169923137 AQRQRBXJEIBVFD-XMMPIXPASA-N 443.499 5.049 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1cccs1)c1ccc(Cl)cc1 169989514 IZHCDFVOTJFCEI-HXUWFJFHSA-N 441.911 5.362 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2ccccn2)cc1C 169994147 OGXPSGUNKHFKAQ-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2cccnc2)c1 170012834 FKMYFPOVHDHBPW-AREMUKBSSA-N 448.522 5.630 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccccc2F)c1 170070402 PXJFXRKAKXHBDJ-QFIPXVFZSA-N 435.882 5.879 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccs2)cc1 170156928 VZDVLDASJAJHEJ-JOCHJYFZSA-N 429.497 5.840 30 10 IKEE Cc1cccc(NC2=C(c3ccc(OC(C)C)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 170173285 WTPDWPVIALQNES-UHFFFAOYSA-N 437.499 5.051 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccncc2)cc1 170201188 ZFLVWNIEYDPONT-RUZDIDTESA-N 434.495 5.580 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(OCC)cc1 170214377 AFEYDJPTXAOBGG-QFIPXVFZSA-N 425.500 5.301 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccccc2)c1 170223879 AVQGVNJWAOUUAG-BVZFJXPGSA-N 439.511 5.410 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccccc2)c(OC)c1 170225456 UWNLWBPYHJIEBP-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@@H]1c1cccc(O)c1 170262998 WDRMYNCZVXTUEQ-FQEVSTJZSA-N 448.544 5.203 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C2CCCC2)cc1 170268686 MENNOCAQTNHFIJ-VWLOTQADSA-N 425.528 5.923 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccco2)cc1C 170290230 RDAYEQWZVUATKH-QHCPKHFHSA-N 431.488 5.468 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(C)o2)cc1C(C)C 170302656 LCQJWFHAFTXIME-DEOSSOPVSA-N 445.515 5.893 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1sccc1C 170315650 MADGZNSNLMQHPQ-FQEVSTJZSA-N 437.492 5.296 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccco2)=C(O)C(=O)N1c1ccc(C(C)(C)C)cc1 170333392 CYDHPYMJUYPYJK-JOCHJYFZSA-N 431.488 5.369 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 170380433 VNJQZCLVQIRUKN-OAQYLSRUSA-N 438.310 6.085 30 10 IKEE CCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@@H]4CC(=O)CC[C@H]4[C@@H]3CC[C@@]12C 248238688 DCESQVOXBITSNE-HNQVNLPBSA-N 430.673 7.261 30 10 IKEE CCOC(=O)c1ccc(N=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1 254448828 AGCBUNKQZMPYNJ-UHFFFAOYSA-N 425.488 5.475 30 10 IKEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1COc1ccc(OCc2ccccc2)cc1 313747101 BMOCSFMPASUSLB-UHFFFAOYSA-N 430.353 5.452 30 10 IKEE CCCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1cccc(OC)c1 526805226 CNTYVGSKSPBBEF-ONUIUJJFSA-N 436.625 6.101 30 10 IKEE CCCCCCCCN(CCCCCCCC)C(=O)[C@@H](/N=N\c1cccc(C)c1)C(C)=O 585663447 UBNJMAGPJLELKI-KVMGOWIZSA-N 443.676 7.586 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@H](C#N)c1cc(Br)c(Cl)s1 698964100 HMNNLZAVLPERPD-CYBMUJFWSA-N 445.741 6.309 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)C2(C#N)CCC(NC(=O)OC(C)(C)C)CC2)c1 724078605 NCWMEZHOZORCEE-UHFFFAOYSA-N 429.561 5.466 30 10 IKEE CC(C)=NNc1nc2ccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)cc2s1 953082799 WDUWPZKVWUTSCF-NSHDSACASA-N 437.352 5.817 30 10 IKEE O=C1NC(=NN=Cc2ccccc2OCc2ccccc2)S[C@@H]1Cc1cccc(Cl)c1 1772742188 FOVQXWYRORLACI-JOCHJYFZSA-N 449.963 5.083 30 10 IKEE O=C1/C(=C/C=C\c2ccccc2)SC(=NN=C/C=C/c2ccccc2)N1Cc1ccco1 1772758719 CBOKNSSSMLRPNE-VEXFQTGGSA-N 439.540 6.008 30 10 IKEE C=CCN(CC=C)C(=O)Oc1cccc2c(NC(=O)/C=C/c3ccc(C)cc3)cccc12 1858949310 CXNMUROOHCLCMT-WUKNDPDISA-N 426.516 5.973 30 10 IKEE N#Cc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)n(Cc3cccc(Cl)c3)n2)cc1 1859386506 PKRNRNQUDIRZBW-UHFFFAOYSA-N 430.870 5.515 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)C(C)(C)Oc1ccc(Cl)cc1 1861463002 OWTKTTNQSKRHAF-NRFANRHFSA-N 439.040 5.649 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862383410 JXOYPXWZBHXXNY-VOJFVSQTSA-N 449.290 5.278 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(O)c(O)c2)cc1 1862391448 ARYSTQIZIQOEBI-DEOSSOPVSA-N 449.547 5.351 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccc(N(C)C)cc2)cc1 1862477633 OGLGKQIHXIUONN-DFBJGRDBSA-N 440.543 5.401 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 1862479427 HAORQJMZHHCPKG-XMMPIXPASA-N 433.592 6.451 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)ccc1O 1862481560 GHLREFUNCWNLLF-WPSZSDGUSA-N 449.547 5.256 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccccc1F 1862530055 MTAHFDTZLYYOPX-YKSBVNFPSA-N 437.555 6.325 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1cccc(F)c1)c1ccc2c(c1)CCCC2 1862544733 KEIORLJHYPMLNW-QHCPKHFHSA-N 447.531 5.545 30 10 IKEE CCOc1cc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C(C)C)ccc1O 1862622950 PWYKPJXNCVJEKZ-QFIPXVFZSA-N 437.536 5.075 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccc(Cl)cc2Cl)cc1 1862624324 WGCLTPNYBKIRNM-HXUWFJFHSA-N 444.358 6.032 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCCCN(C)C)c1 1862661145 TVJJYEFYHCAXID-XMMPIXPASA-N 434.580 5.039 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccccc2)cc1 1862661247 VCTJWISTNIPFMK-VWLOTQADSA-N 443.518 5.770 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CC(C)C)c1 1862668747 GUUKGQBLOFLCRD-XMMPIXPASA-N 435.564 5.833 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862735300 HQSGSSRWNJQDLP-HSZRJFAPSA-N 448.519 5.458 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC[C@@H](Oc3ccccc3)C2)nc(-c2ccc(F)cc2)n1 1869282923 KBQBNHOPNQYRLU-XMMPIXPASA-N 444.554 5.509 30 10 IKEE CCCCCCCCn1cc(OCCc2ccc(OC)cc2)c(=O)cc1CSCC 1870163257 KSENTIUQUMYTRU-UHFFFAOYSA-N 431.642 6.092 30 10 IKEE C=CCOc1cn(CCc2ccc(F)cc2)c(CNc2ccc(N(CC)CC)cc2)cc1=O 1870809679 PTOKYKVQNMUMQD-UHFFFAOYSA-N 449.570 5.253 30 10 IKEE CCCCCCCCn1cc(OCC(C)C)c(=O)cc1CNc1cccc(N(C)C)c1 1870857687 ATXXJKMQKKXQLT-UHFFFAOYSA-N 427.633 5.922 30 10 IKEE CCCCCCCCCCNC(=O)c1cc2sccc2n1Cc1ccccc1Cl 1871323223 ICRFUXGPXYKARH-UHFFFAOYSA-N 431.045 7.275 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(Cl)c(Cl)c4)ccc3C2=O)cc1 1871372220 GIJMBSHNHYCZQH-FBHDLOMBSA-N 441.266 5.837 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc3C2=O)cc1 1871387798 BKPQMCDTHZRQTR-MYYYXRDXSA-N 444.483 5.708 30 10 IKEE Cc1cccc(/C=C2\Oc3c(CN4CCC(N5CCCCC5)CC4)c(O)cc(C)c3C2=O)c1 1871398408 HSLBGOXMBGNUPA-UQQQWYQISA-N 446.591 5.076 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2C)C3=O)c1 1871412288 QJUYPYBSZIBLME-PUDRWSQFSA-N 441.527 5.942 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)N[C@H](C)c4ccccc4)cc(C)c3C2=O)cc1 1871421371 BMHYKIOITVZTSW-MGKUZBKYSA-N 441.527 5.430 30 10 IKEE Cc1cc(C)c(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)c(C)c1 1871458160 CKMCZRCHABPUIG-FMCGGJTJSA-N 447.918 5.899 30 10 IKEE C=CCN([C@@H](C(=O)Nc1cccc(C(C)(C)C)c1)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1872233363 BWZOFTIKRUUITG-WMZHIEFXSA-N 442.625 5.214 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)S(=O)(=O)CC 1872323956 IAZUWJXHENLYPV-HSZRJFAPSA-N 436.662 5.514 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccccc3Cl)cs2)cc1OC 1872764371 LDFRDTWVZBICKA-VMSUTVGLSA-N 438.936 5.760 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccccc3)n2)cc1OCCC 1872767440 RSKLFAIVHJXVJX-FQEVSTJZSA-N 434.561 5.807 30 10 IKEE N#C[C@@H](C(=O)C(c1ccccc1)c1ccccc1)c1nc(-c2ccc(F)cc2F)cs1 1872767600 WEVOYOXBCZRMFB-FQEVSTJZSA-N 430.479 6.097 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)Cc3cc(OC)ccc3OC)n2)cc1 1872770307 POZKARCKIVUSOE-HXUWFJFHSA-N 436.533 5.035 30 10 IKEE CCc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc1 1872780488 JCEOTABMNXGFJN-QFIPXVFZSA-N 448.588 6.033 30 10 IKEE CC(C)c1ccccc1O[C@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)s2)cs1 1872789605 OEBOAISZSARNMO-HIFRSBDPSA-N 430.982 6.292 30 10 IKEE C=CCN(CC=C)C(=O)c1ccc2nc(SCc3ccc(C(=O)OC(C)C)cc3)[nH]c2c1 1872816304 CXHYFSIRNDRFDL-UHFFFAOYSA-N 449.576 5.235 30 10 IKEE C=CCc1ccccc1OCc1cccc(C(=O)Nc2ccc(C)cc2Br)c1 1872833919 HSZKYGBXTFDTQW-UHFFFAOYSA-N 436.349 6.317 30 10 IKEE N#Cc1cccc(NC2=C(c3c(Cl)cccc3Cl)C(=O)N(C3CCCCC3)C2=O)c1 1873287571 DRNOQQRCCURTFC-UHFFFAOYSA-N 440.330 5.390 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2[C@@H](C)CC)=C(c2c(Cl)cccc2Cl)C1=O 1873289522 QXEMIFYPZOBJCI-AWEZNQCLSA-N 429.347 5.885 30 10 IKEE N#Cc1nc(Cc2cccc3ccccc23)oc1N/N=C/c1cc(Br)ccc1O 1873464353 ZKGSUIJDVNWNOO-DHRITJCHSA-N 447.292 5.204 30 10 IKEE CCCCCCCCCCNC(=O)c1cc2c(N3CCCCC3)ncnc2n1CC(C)C 1873579199 WGQQDGKNWFFUJY-UHFFFAOYSA-N 441.664 5.948 30 10 IKEE Cc1ccccc1CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccc[nH]1 1874242369 BZIMYEQNEPEDJU-LQKURTRISA-N 445.636 5.848 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccccc1OC(C)C 1874265129 XGJVIHFEFTVGBO-ZVHZXABRSA-N 442.972 5.458 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(COc2ccc(C)c(C)c2)nnc1SCC(=C)C 1874320322 LHNBOOFLFNHXDG-CVKSISIWSA-N 448.592 5.589 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2/N=C/c2cccs2)cc1C 1874357370 CUAHSAHJIYNYIN-AFUMVMLFSA-N 436.581 5.861 30 10 IKEE C=CCSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(OCCCCC)cc1 1874367542 HMABEGWEOJBQDZ-KOEQRZSOSA-N 441.000 6.328 30 10 IKEE Clc1ccc(CSc2nnc(COc3ccccc3)n2/N=C/c2cccs2)cc1 1874385319 JVIOGJFCDVGNBD-YDZHTSKRSA-N 440.981 5.747 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2cccc(C)c2)cc1 1874389380 OJRZJONNVUUWQH-ZXVVBBHZSA-N 426.589 5.703 30 10 IKEE Cc1ccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccc(O)c(O)c2)cc1 1874405015 BDCPUVANMQDDOD-MFKUBSTISA-N 436.581 5.295 30 10 IKEE CCOc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2cc(C)ccc2C)c1 1874438688 NQSAIQOPAFKDMX-WGOQTCKBSA-N 436.625 6.057 30 10 IKEE C=CCSc1nnc(CC(C)(C)C)n1/N=C/c1ccc(OCCCCCC)c(OC)c1 1874439861 WVGPTTONZRZXLJ-XIEYBQDHSA-N 444.645 5.995 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCc3ccccc3Cl)nnc2C(F)(F)F)c1 1874461317 ICYZQFFCNOIUAA-NUGSKGIGSA-N 426.851 5.139 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C(F)(F)F)cc1 1874463230 YJOFGDMKANNYLP-PGGKNCGUSA-N 445.297 6.087 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccco3)n2/N=C/c2ccccc2OC(C)C)c1 1874465702 XCDYFHAYKPEGKY-MFKUBSTISA-N 432.549 5.808 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(SCc2ccccc2)nnc1-c1ccco1 1874466405 IELSVQZXVSGWQM-WGOQTCKBSA-N 440.528 5.874 30 10 IKEE Clc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2-c2ccco2)cc1 1874466962 LLBXKHVFBFUWPX-FSJBWODESA-N 429.332 6.019 30 10 IKEE CCCSc1nnc(CCC)n1/N=C/c1cccc(OC)c1OCc1cccc(C)c1 1874508598 MAKFGYZNXXCXHQ-PCLIKHOPSA-N 438.597 5.511 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2C)cc1OC 1874572066 VBMBOXBTLACEDV-JLHYYAGUSA-N 445.515 5.234 30 10 IKEE CCc1ccc(NC(=O)COc2c(/C=C/C(=O)c3ccc(C)cc3C)cccc2OC)cc1 1874578840 JRHWALMYFJRJDA-FOWTUZBSSA-N 443.543 5.788 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(C)cc2C)c1OCC(=O)Nc1ccccc1 1874579125 XZIHVQBSNRHUTE-ZRDIBKRKSA-N 449.934 5.879 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(C)cc2)c1OCC(=O)Nc1cccc(C)c1 1874579472 PZZXMVZUNJBVNC-VAWYXSNFSA-N 449.934 5.879 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2cccc(/C=C/C(=O)c3ccc4ccccc4c3)c2)c1 1874593180 WRCKYVGYGLYIPR-JLHYYAGUSA-N 435.523 6.370 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3cc(C)ccc3C)c2)cc1OC 1874594086 QZDGLBBHFKGOFM-DHZHZOJOSA-N 432.516 5.804 30 10 IKEE C=C(C)COc1c(Br)cc(/C=C/C(=O)c2cc(C)ccc2C)cc1OCC 1874618670 NDDHLYIKMVBWPO-MDZDMXLPSA-N 429.354 6.316 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OCC(=O)NC1CCCCC1 1874624874 AAJOBFFTDQORNW-KPKJPENVSA-N 445.918 5.212 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccc(C)cc3)c2)cc1 1874695738 PTBFKDXYGFJFJY-GHRIWEEISA-N 442.555 6.390 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1cccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)c1 1874706078 ODDXEZOKFFLPSA-IZZDOVSWSA-N 448.902 5.546 30 10 IKEE Cn1c(C(=O)Oc2cccc(/C=C/C(=O)c3cccc4ccccc34)c2)cc2ccccc21 1874708285 VGCPVBNJLXQATE-WUKNDPDISA-N 431.491 6.447 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(OCC)cc2)CSc2nnc(CCC)n21 1874864197 OEJANEMWMPLBKV-NRFANRHFSA-N 444.645 5.692 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(C)c(C)c3)cc2)cc1 1875105802 NNKNDLDAWNASGZ-LDADJPATSA-N 442.555 6.527 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cnccn2)c(Cl)c1)c1cccc(Br)c1 1875115597 LJAKVMJJQDBNJP-GQCTYLIASA-N 443.684 5.008 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2[N+](=O)[O-])cc1 1875126910 ZJPYMKODNRYRHA-WLRTZDKTSA-N 435.863 5.926 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)c1ccccc1F 1875141344 ZNUXZMMQXJJLRB-JXMROGBWSA-N 442.845 6.051 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)c1ccc(C)cc1 1875147767 KREKHCGQOLZZAS-IZZDOVSWSA-N 444.483 5.280 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3ccco3)c(OC)c2)cc1C 1875187028 PEALUANOLPCEGR-BQYQJAHWSA-N 440.879 5.682 30 10 IKEE C=CCN1CC[C@@H](NCC)[C@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875650107 FQANPBULRGYVCO-GGXMVOPNSA-N 442.603 5.756 30 10 IKEE CCCN[C@@H](C#Cc1cccs1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 1900751350 WWVXPGVBOWMQEY-JOCHJYFZSA-N 426.626 5.685 30 10 IKEE C=C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)(c1ccccc1)[C@@H](CC)C(=O)O 1927430496 ZZWDVPZEEQFBKL-LSYYVWMOSA-N 441.527 5.717 30 10 IKEE C[C@H]1CN(Cc2ccccc2)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1949311724 FRCHDYKTXZUJBY-DFBJGRDBSA-N 439.987 5.886 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@]1(C#N)CC(C)(C)[C@H]1OCc1ccccc1 1950400201 LOHVDNDRIVGLTJ-GJZUVCINSA-N 426.601 6.224 30 10 IKEE CC(C)(C)OC(=O)N1CC(C)(C)[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C1 1975904057 KJYYFHASPBEXST-QFIPXVFZSA-N 435.590 5.024 30 10 IKEE C=CCCCCCCCCC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2026314939 XPMRGMZHXYDDCX-XUZZJYLKSA-N 431.617 6.361 30 10 IKEE O=C(C=Cc1ccc(-c2cccc(Br)c2)o1)c1ccc(N2CCOCC2)cc1 2040963565 KQKZCOCKAQRIPF-UHFFFAOYSA-N 438.321 5.442 30 10 IKEE CCCCCCCC[C@@H](NC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2041903414 QJRJBWMKTZWAAQ-SQHAQQRYSA-N 446.676 6.169 30 10 IKEE CC1(c2nn([C@H](c3ccc(C4CC4)cc3)C(C)(C)C)c(Br)c2/C=N/O)CC1 2079062894 XTXIPZNOLFLCTL-NZYROCMPSA-N 430.390 6.018 30 10 IKEE O=C(C1=C[C@H]2CC[C@H]1C2)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2136697206 KVIBYAYGEQWXHI-UXWDXCIHSA-N 440.539 5.803 30 10 IKEE CC1(C)CC2(CC2)C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)C1 2146891234 OBYLPNPRGMMCOZ-QFIPXVFZSA-N 433.390 6.443 30 10 IKEE N#Cc1cc(F)c(NCC2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc1Br 2159218778 YEGJCJATXHSGKC-JLYLLQBASA-N 428.349 5.315 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(C)c(Br)c(C)c1 2227355533 NCXLMDYHVZOLGH-IEBWSBKVSA-N 425.411 5.576 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H](CC1CCCC1)C(=O)C#Cc1ccccc1Br 2235724624 VUZUKFAVYJSQBB-GOSISDBHSA-N 434.374 5.091 30 10 IKEE CCC[C@]1([C@@H](N)C#Cc2ccccc2Br)CCCCN1C(=O)OC(C)(C)C 2235724891 GTSRPUNQWWLOLI-SIKLNZKXSA-N 435.406 5.088 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C1CC1 2246528267 WXTDDJPETARBKX-TZRRMPRUSA-N 428.617 5.163 30 10 IKEE C#CC[C@H](C)C[C@@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2276997234 JQXKOPAVPFPWHJ-NEKDWFFYSA-N 443.587 5.911 30 10 IKEE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@@H](CNc2c(Br)cccc2C#N)CC1 2285241453 RAQQBTFYRQLGKF-LDTOLXSISA-N 440.357 5.156 30 10 IKEE CN1C(=C2SC(=NCc3ccccc3)N(c3ccc(F)cc3)C2=O)Sc2ccccc21 2295196077 RFEVNYPIKBENJP-UHFFFAOYSA-N 447.560 5.873 30 10 IKEE Fc1cccc(NC(=S)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c1 2296405151 OSSGSAJLMBZFES-UHFFFAOYSA-N 449.942 5.652 30 10 IKEE CCc1ccc(NC(=S)NN=Cc2cn(-c3ccc(F)cc3)nc2-c2cccs2)cc1 2296405198 QWFDNYGFQUWMRF-UHFFFAOYSA-N 449.580 5.623 30 10 IKEE C=CCSC1=NC(=Cc2cccc(OC)c2OC)C(=O)N1c1ccc(F)c(Cl)c1 2297337795 JDJOKWBWHMQNRM-UHFFFAOYSA-N 432.904 5.159 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 2311766576 JRKVIFASZHRVQQ-WYEJZRMESA-N 443.588 5.712 30 10 IKEE C=CCn1c(SCC(=O)OCC=Cc2ccccc2)nnc1-c1cccc(Cl)c1 2314007061 AFSOXYBUDZUQHE-UHFFFAOYSA-N 425.941 5.133 30 10 IKEE COc1cc(C=NNc2nc(-c3ccc(C)cc3)cs2)ccc1OCc1ccc(C)cc1 2318417787 GDHCOEUQWYQGRD-UHFFFAOYSA-N 443.572 6.461 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@H](C#N)[C@@]1(C)CCCCN1C(=O)OC(C)(C)C 2318947191 RJSFVEOHXDXXAO-NTKDMRAZSA-N 447.551 5.639 30 10 IKEE Cc1ccccc1COc1ccccc1C=Nn1c(S)nnc1[C@@H](C)c1ccccc1 2321962108 MUYIPPKEOXLJCA-IBGZPJMESA-N 428.561 5.488 30 10 IKEE COc1ccc(C=Nn2c(S)nnc2[C@@H](C)c2ccccc2)cc1OCc1ccccc1 2321962169 WPEZHCGOHFDONU-SFHVURJKSA-N 444.560 5.188 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccc(Cl)cc1 2322528439 CTQKEUHGIXKCGV-UHFFFAOYSA-N 449.978 6.417 30 10 IKEE O=C(COc1ccc2ccccc2c1C=CC(=O)c1ccc(Cl)cc1)Nc1ccccc1 2322528586 VQVLDMLALZMPIN-UHFFFAOYSA-N 441.914 6.407 30 10 IKEE COC(=O)c1ccc(COc2c(C=CC(=O)c3ccc(C)cc3)cc(Cl)cc2OC)o1 2322593448 MPDUJWPSZCTPNR-UHFFFAOYSA-N 440.879 5.512 30 10 IKEE CCN(CC)C(=O)COc1cccc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)c1 2323258986 MNTWSCUKSVFPNX-UHFFFAOYSA-N 436.335 5.145 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OC(=O)C=Cc4ccc(Cl)cc4)c3C)C2=O)cc1 2323323540 OEZJZDPVCGXIAF-UHFFFAOYSA-N 446.886 5.892 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OC(=O)c3ccc(C(F)(F)F)cc3)cc(C)c2C1=O 2323352687 BJEPUAIFUJHIFM-UHFFFAOYSA-N 444.430 6.219 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1 2323485718 YLTMVKYTLJERLS-UHFFFAOYSA-N 429.516 5.480 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 2323519098 LORQWYFFZSXKNF-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE CC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)c1 2323896428 DVQXVDGMMVGMBU-UHFFFAOYSA-N 434.831 5.101 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(OC)c(OCc2ccccc2F)c(OC)c1 2323992260 PKFSXSXDKZXBOS-UHFFFAOYSA-N 436.479 5.635 30 10 IKEE Cc1cc(O)c(CN(Cc2ccccc2)C(C)C)c2c1C(=O)C(=Cc1ccccc1F)O2 2324014806 CZBJSFJHOCLBRK-UHFFFAOYSA-N 431.507 5.867 30 10 IKEE Cc1cc(O)c(CN2CCC[C@@H](C)C2)c2c1C(=O)C(=Cc1ccc(Br)cc1)O2 2324066781 CMVKWTVGFDPACA-CQSZACIVSA-N 442.353 5.311 30 10 IKEE CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1ccco1)C2=O 2324325255 MSYVRRYHXZLKMH-MRXNPFEDSA-N 433.460 5.009 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2cccs2)C3=O)cc1 2324478389 OANUDWBOKWKDDV-INIZCTEOSA-N 433.529 5.641 30 10 IKEE CCCOC(=O)COc1ccc(C=CC(=O)c2ccc(OC)c3ccccc23)cc1OC 2324691238 YJNJJXKRJVZWKS-UHFFFAOYSA-N 434.488 5.085 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(F)cc3)n2)c1 2324736310 PEYDNMVTNHPLJA-FQEVSTJZSA-N 436.508 5.636 30 10 IKEE O=C(C=Cc1cccc(Cl)c1Cl)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 2325622963 LOGVXNWVWIUVJB-UHFFFAOYSA-N 446.717 6.660 30 10 IKEE CCCOc1c(C=Nn2c(C)nnc2SCc2cccc3ccccc23)cccc1OC 2325631590 DMRCTAXUIBVSQU-UHFFFAOYSA-N 446.576 5.712 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1 2325715397 PVPIHNOBKZMBJE-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(F)cc3)c2)cc1Cl 2325767157 DAZVDMWUEVOWAS-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE COc1ccc(OCc2nnc(SC)n2N=Cc2ccccc2Cl)c(C(C)(C)C)c1 2325815997 WJCWREPAKAIYOX-UHFFFAOYSA-N 444.988 5.421 30 10 IKEE COc1c(Cl)cc(C=Nn2cnnc2SCc2cccc(Cl)c2)cc1Cl 2326466138 IJEWBLLCXYCKOP-UHFFFAOYSA-N 427.744 5.421 30 10 IKEE Cc1ccc(OCCCc2nnc(SCc3ccccc3)n2N=Cc2ccncc2)cc1 2327191837 ZJCBRKPFRQCNAJ-UHFFFAOYSA-N 443.576 5.168 30 10 IKEE CCCOc1cccc(C=Nn2c(COc3ccccc3OC)nnc2SCCC)c1 2328297955 RLVPZLKNPZQYIF-UHFFFAOYSA-N 440.569 5.039 30 10 IKEE CCSc1nnc(CCc2cccc(OC)c2)n1N=Cc1ccc(Cl)cc1Cl 2328625546 JGNMZEMVRYBWGF-UHFFFAOYSA-N 435.380 5.373 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(O)cc1O 2330078446 CRBBBZJJTBRSAR-INIZCTEOSA-N 448.523 5.155 30 10 IKEE C(=Nn1c(Cc2ccccc2)nnc1SCCc1ccccc1)c1c[nH]c2ccccc12 2330493417 UCNFJADDICRHAX-UHFFFAOYSA-N 437.572 5.567 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(OC)c2)cc(Cl)c1OC(=O)C1CCC1 2330726937 NCPZNZPSFGEJNG-UHFFFAOYSA-N 444.911 5.358 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OC(=O)C(C)C 2330821887 VFUPIZKKGZFCMD-UHFFFAOYSA-N 433.331 6.188 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(OC)cc3)c(OC)c2)cc1 2330846568 LXHASUCISDZLMO-UHFFFAOYSA-N 444.527 6.162 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)cc2)cc(OC)c1OC(=O)c1cccc(C)c1 2330986859 XFOKAWBNRBDMQM-UHFFFAOYSA-N 442.511 5.856 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(C3CCCC3)n2N=Cc2ccc(F)cc2)cc1 2331049433 BESACOBGJOLEJZ-UHFFFAOYSA-N 425.489 5.158 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)cc1 2331051381 GZNTXFGJUVYPLF-HXUWFJFHSA-N 444.527 6.088 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3ccc(F)cc3)nnc2C(F)(F)F)c1 2331115958 RHFOWUBBFJVBRO-UHFFFAOYSA-N 438.450 5.399 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)c1cccnc1 2331149833 ABUVXAIXMNRSQA-UHFFFAOYSA-N 442.298 5.902 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Br)c1OC(=O)C1CC1 2331154799 HEPLDDVUPLLJDH-UHFFFAOYSA-N 449.728 5.713 30 10 IKEE COc1ccc(OC)c(C=Nn2c(SCc3ccc(C)cc3)nnc2-c2ccco2)c1 2331167917 QSKKWZKUXSMWEU-UHFFFAOYSA-N 434.521 5.038 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccco3)n2N=Cc2ccc(Cl)c(Cl)c2)c1 2331183393 DXNQMNIAUHDBNT-UHFFFAOYSA-N 443.359 6.328 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c([N+](=O)[O-])c2)cc1 2331273580 ROLTYOSZYUCJEY-UHFFFAOYSA-N 446.415 5.235 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2sccc2C)c1 2331362268 QHTPUHZYOWVLFQ-UHFFFAOYSA-N 441.626 5.175 30 10 IKEE CCOc1ccc(C=Nn2c(SCCc3ccccc3)nnc2C(C)(C)C)cc1OC 2331398226 VQRILWPRLXZRBS-UHFFFAOYSA-N 438.597 5.200 30 10 IKEE Cc1cccc(C)c1OCC(=O)Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1 2331470877 TVABMNKOMDDFOU-UHFFFAOYSA-N 436.507 6.337 30 10 IKEE COc1cc(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CCC2)ccc1O 2331535571 WUWFYONJDRGDDK-UHFFFAOYSA-N 444.560 5.588 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)Cc1cccc2ccccc12 2331539932 DJISKSFBQULUDV-UHFFFAOYSA-N 440.470 6.032 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H](C)Oc3ccc(Cl)cc3)cc2)cc1C 2331704602 JYDJUYKMKSOGTR-IBGZPJMESA-N 434.919 6.226 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(Cl)c2)ccc1OC(=O)c1ccccn1 2331834592 FAZLHPMETPFAKH-UHFFFAOYSA-N 437.879 5.258 30 10 IKEE CCN[C@@H](C#C[C@@H]1CC1(F)F)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2341040859 JVFDBVVJUIAOIB-CJNGLKHVSA-N 429.305 5.105 30 10 IKEE N#Cc1ccccc1Sc1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CCCC2 9125700 FOMKHISKWOJCAP-UHFFFAOYSA-N 433.558 5.001 30 10 IKEE CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccc(C#N)c2)[C@@H]1c1cccs1 9433196 YEBLZTWALSQZMT-PKTZIBPZSA-N 429.545 5.195 30 10 IKEE COc1ccc(/N=C/c2ccc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccccc3)cc2)cc1 15772829 WNFWEPMODNMMEE-LXXHRJRASA-N 445.566 7.110 30 10 IKEE Cc1ccc([C@@H]2C3=C(C[C@H](c4cccc(Cl)c4)CC3=O)Nc3nc4ccccc4n32)cc1 19630834 SBVCMFPLLMZDNF-AFMDSPMNSA-N 439.946 6.414 30 10 IKEE C=CCNCc1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 20876353 NYKGYXAHLVRNOJ-UHFFFAOYSA-N 431.157 5.619 30 10 IKEE COc1ccccc1CSc1nnc(NN=C(Cc2ccccc2)Cc2ccccc2)[nH]1 20908536 FVTJEPLTLUYOGS-UHFFFAOYSA-N 443.576 5.359 30 10 IKEE CC(C)COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccncc2)cc1 21242244 CEZCQBYBSGQKQB-KMRXNPHXSA-N 439.559 6.096 30 10 IKEE Cc1cc(C)cc(C(=O)/N=C(/NCc2c(C)nn(C)c2C)Nc2ccc(Cl)cc2C)c1 32972576 BYSVPSBNDAHASN-UHFFFAOYSA-N 437.975 5.014 30 10 IKEE Cc1cc2c(n1-c1ccc(Cl)cc1)CC(C)(C)C/C2=N\OC(=O)c1cccc(Cl)c1 39853208 IDEOYZBTBRGLGX-SZXQPVLSSA-N 441.358 6.626 30 10 IKEE C=CCN1C(=O)c2[nH]nc(-c3cc(Cl)c(C)cc3O)c2[C@H]1c1cccc(OCCC)c1 39914544 QSEGIDXWUWVJNP-HSZRJFAPSA-N 437.927 5.264 30 10 IKEE Cc1ccc(Cc2c(C)c(C#N)c3nc4ccccc4n3c2Nc2ccc(Cl)cc2)cc1 47163622 BNJFOVKAAMRSLE-UHFFFAOYSA-N 436.946 6.964 30 10 IKEE O=[N+]([O-])c1ccc(/C=N/c2ccc(Cc3ccc(/N=C/c4ccc([N+](=O)[O-])o4)cc3)cc2)o1 59458960 ZTLWPJQIKYBZIP-KOJZRSEWSA-N 444.403 5.781 30 10 IKEE COc1ccc(-c2nc(SC)nc(Nc3ccc(C)c(Cl)c3)c2C#N)cc1OC 62039796 CEJMFEWRBWYCMK-UHFFFAOYSA-N 426.929 5.460 30 10 IKEE C=CCOc1ccc(/C=C2/C(=O)N(c3ccc(C(C)C)cc3)C(C)=C2C(=O)OC)cc1OC 100275654 YBPXLIXYZIDQKR-PXLXIMEGSA-N 447.531 5.261 30 10 IKEE CCCCCCCCn1c(CCCCCNC(=O)c2ccc(OC)cc2)nc2ccccc21 102170966 KJKBTYZUQBUQLE-UHFFFAOYSA-N 449.639 6.548 30 10 IKEE O=C(/C=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc2noc(-c3ccccc3)c2c1 103033646 VEBUKCVSTGFGCS-RAXLEYEMSA-N 436.423 6.559 30 10 IKEE C=CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)[C@H](C)CC 105007342 VIJBPICREKKJDO-FYYLOGMGSA-N 449.595 5.043 30 10 IKEE CCCCCCCCCCCCC(=O)CCCC(=O)Nc1ccc(Cl)cc1Cl 105415554 AAAUQSKVGDMNKR-UHFFFAOYSA-N 428.444 7.982 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N[C@H](C(=O)O)[C@H](O)c1ccccc1 106114277 SFRQXDVWVNVHCW-IZZNHLLZSA-N 447.660 6.551 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@H]1c1ccncc1)c1cccc(Cl)c1 170021045 MMQNTEFOTAMSAZ-QHCPKHFHSA-N 440.886 5.671 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)c(C)c1 170065180 OVKOWDVUNWEBFK-HSZRJFAPSA-N 449.453 5.060 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(F)cc2)c1 170065206 FBBGKAQMXOBHNN-QHCPKHFHSA-N 449.453 5.142 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2sccc2C)s1 170108211 VEBOPRVVKMRXBJ-QGZVFWFLSA-N 442.537 5.047 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccccc2)cc1 170113500 AWUGKDXHNFBTLV-QHCPKHFHSA-N 425.440 5.224 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(O)cc2)cc1C 170132858 BWZSMVJUPSMSGY-DEOSSOPVSA-N 443.499 5.272 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(O)cc2)c1 170135520 JRYWDAPMRAIWOF-XMMPIXPASA-N 449.547 5.338 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(O)cc2)cc1 170135648 AWDBIYMCLGMGIV-HSZRJFAPSA-N 435.520 5.092 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(C(C)(C)C)cc1 170149886 VWMDRQRZZCRZRW-JOCHJYFZSA-N 435.520 5.091 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(OC(C)C)cc1 170151976 WYFZRFYCCAJEMY-OAQYLSRUSA-N 427.928 5.506 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2cccs2)cc1C 170160853 PZVJDJNNWIIKHZ-QFIPXVFZSA-N 433.529 5.465 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccnc2)cc1C 170183279 GINQCNWIJYIPLQ-JOCHJYFZSA-N 448.544 5.019 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccnc2)ccc1OCC(C)C 170188265 UIHCLRSAPVFMGE-XMMPIXPASA-N 442.515 5.208 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccccc2)c1 170223662 MYRXRLAOBFTAPV-VWLOTQADSA-N 441.527 5.875 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccccc1 170226931 JBASTOCIMMNUIT-JOCHJYFZSA-N 449.890 5.140 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccc(O)c2)c1 170259434 VUDUUJAVHZPOIU-DEOSSOPVSA-N 443.499 5.272 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@@H]1c1ccco1 170284097 BVHHUCUNOXMNQK-QFIPXVFZSA-N 449.890 5.349 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccco2)cc1 170291191 GQVWDGVTPQCPNY-XMMPIXPASA-N 439.467 5.220 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2ccc(C#N)cc2)o1 170305264 HOYXEEHFQNJOSK-XMMPIXPASA-N 434.451 5.396 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1sccc1C 170315433 RNTODWSCSQJYPD-NRFANRHFSA-N 447.556 5.773 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@@H]1c1sccc1C 170318630 GQQLVHFCFMCQBH-GOSISDBHSA-N 433.957 5.487 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1sccc1C 170318808 COLGGDIQUJLIKP-OAQYLSRUSA-N 441.593 5.778 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(O)c(Cl)c2)cc1 170367760 DMDMUAZHJHHTAI-QHCPKHFHSA-N 447.918 5.699 30 10 IKEE Cc1cccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(Oc3ccccc3)cc2)c1 170461059 COJWODVHKYJLSJ-SANMLTNESA-N 441.527 6.303 30 10 IKEE COc1ccc(C)cc1S(=O)(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N 170550221 XEXLYVVAFITKMJ-UHFFFAOYSA-N 444.512 5.603 30 10 IKEE CCCN1C(=O)/C(=C/c2ccc(OCC(C)C)c(OCC)c2)SC1=Nc1ccccc1 252640193 YQYIDYWBMUZUQE-ZYITZIQLSA-N 438.593 6.134 30 10 IKEE Oc1ccc(N=Cc2c(O)ccc3ccccc23)cc1N=Cc1c(O)ccc2ccccc12 254633293 QRERHQNYKWLBFE-UHFFFAOYSA-N 432.479 6.611 30 10 IKEE CC(=NN1C(=O)CN(Cc2ccccc2)[C@H]1c1ccc(Br)cc1)c1ccccc1 254757378 MNOLWTJPNGKKBZ-XMMPIXPASA-N 448.364 5.216 30 10 IKEE CCOc1c(Cl)cc(/C=N\n2cnnc2SCc2ccc(C)cc2C)cc1Cl 526810634 DQSMGUYUHGFSOE-VROXFSQNSA-N 435.380 5.775 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)N(C)C3CCCCC3)C2)c1 585965049 IBEAVIGAPSSHHO-QFIPXVFZSA-N 440.632 5.103 30 10 IKEE N#Cc1cccc(NC(=O)Nc2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)c1 586722814 XMZYPJNNTPVTES-UHFFFAOYSA-N 440.381 5.353 30 10 IKEE CCCCCCC[C@](C)(CN)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 698221764 PJEOTTANXNNGDQ-OAQYLSRUSA-N 427.427 6.269 30 10 IKEE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@H](C#N)c1cccc(Cl)c1Br 719726066 MQHVARLVXZTANZ-SWLSCSKDSA-N 429.742 5.083 30 10 IKEE C/C(=C1/SC(=Nc2cccc(C(=O)O)c2)N(c2ccccc2)C1=O)c1ccc(Cl)cc1 1772734684 GFJHSECZKYDYJV-POLMPROESA-N 448.931 6.237 30 10 IKEE N#CCc1ccc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)nc1C(F)(F)F 1848370225 VSDYOTKUWSZCKA-UHFFFAOYSA-N 434.459 7.100 30 10 IKEE Cc1ccc(-c2nn(-c3ccc(Oc4ccccc4)cc3)cc2/C=N\NC(N)=S)c(C)c1 1857806541 CWDPCWKMGBUAAG-DICXZTSXSA-N 441.560 5.116 30 10 IKEE N#Cc1c(NC(=O)c2csc(-c3cnccn3)n2)oc(-c2ccccc2)c1-c1ccccc1 1859743976 NSSJMDKFGCUDDO-UHFFFAOYSA-N 449.495 5.651 30 10 IKEE CC[C@@H](C)N(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)c(F)c1F 1859922094 MCROLXSXMDTKIW-SECBINFHSA-N 443.309 6.587 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(Cl)c(Cl)c1 1861051549 IHQRXXWJEGFCOU-JOCHJYFZSA-N 449.422 5.811 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccccc2C)cc1 1862389369 DMQBTAUIINGIEZ-VWLOTQADSA-N 449.591 5.731 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc(O)cc2)cc1 1862390490 FIZBECKCPSPZFK-DVKBMCPXSA-N 447.575 5.892 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1cccc(F)c1)c1ccccc1Cl 1862430119 CJTWBFRRFAIEOJ-OAQYLSRUSA-N 427.903 5.780 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccccc1Cl)c1cccc(Cl)c1 1862446157 MCGVLAQWADLCPR-HXUWFJFHSA-N 439.298 5.167 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1)c1ccc(Br)cc1 1862465976 YPLOMXWPCIKDKO-NRFANRHFSA-N 448.316 5.228 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862473400 AXWWHXUKRPBLEE-VWLOTQADSA-N 429.560 6.026 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2cccc(Cl)c2)cc1 1862476544 LUMLYYDLIWDNFH-HXOBKFHXSA-N 431.919 5.988 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862487354 YYFWNJMYCCDIQZ-RUZDIDTESA-N 425.528 5.699 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2cccc(O)c2)c1 1862490310 SLOXWIZBERHPSG-HSZRJFAPSA-N 447.918 5.441 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862510572 CBZVBMGQJZIKJG-BLVKFPJESA-N 446.862 5.073 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc(N(CC)CC)cc2)cc1 1862539619 ZNAZRGYWWJCAPW-XMMPIXPASA-N 434.580 5.330 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C2CCCCC2)cc1 1862565221 RQPHIKWTDHDLGK-XMMPIXPASA-N 448.563 5.359 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccccc2)cc1 1862648797 JYWRKICUZZPZDC-SANMLTNESA-N 433.507 5.927 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc2c(c1)CCCN2C 1862658421 QPQADHQIILOFNI-VWLOTQADSA-N 440.543 5.209 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1cccc(Cl)c1)c1ccc(-c2ccccc2)cc1 1862725670 OPXHHOWQDSILOP-HSZRJFAPSA-N 429.903 5.748 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccc2ccccc12 1862727541 HDXQVNCPDJADKB-SANMLTNESA-N 433.507 6.105 30 10 IKEE N#Cc1cccc(NC2=C(c3ccccc3Cl)C(=O)N(c3ccc4ccccc4c3)C2=O)c1 1863072059 UPBZBYVKVCCUGN-UHFFFAOYSA-N 449.897 5.761 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(C)cc3)C2=O)cc1 1863269417 DAYLAHJHEMCLPM-LJQANCHMSA-N 435.527 5.382 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Nc3ccccc3)cc2)=C(c2ccc(F)cc2F)C1=O 1863312669 FSSJMCBDJRXBBB-UHFFFAOYSA-N 431.442 5.086 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Cl)cc2)=C(c2ccc(OCc3ccccc3)cc2)C1=O 1863364285 NSRKUCFWWNYDQX-UHFFFAOYSA-N 444.918 5.297 30 10 IKEE CCCCCCCCNC1=C(c2ccc(C)c(C)c2)C(=O)N(Cc2ccc(C)cc2)C1=O 1863599149 HHUYUMPSZFLXQY-UHFFFAOYSA-N 432.608 5.842 30 10 IKEE CCCCCCCCNC1=C(c2cc(C)ccc2C)C(=O)N(Cc2ccc(OC)cc2)C1=O 1863734730 SATZBLCACPITTL-UHFFFAOYSA-N 448.607 5.542 30 10 IKEE CCCc1nc(Nc2cccc(C#N)c2)cc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)n1 1868378196 IAUNKMVYFKLERI-OAQYLSRUSA-N 433.943 5.276 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCCCC)c(=O)cc1CSC(C)C 1870215695 CPZSRAUULDIVQB-UHFFFAOYSA-N 425.635 5.573 30 10 IKEE C=CCn1cc(OCC2CCCCC2)c(=O)cc1CNc1ccc(OC(F)(F)F)cc1 1870913351 NSZDZWCCXDCCLW-UHFFFAOYSA-N 436.474 5.504 30 10 IKEE C=CCn1cc(OCc2c(Cl)cccc2Cl)c(=O)cc1CNc1cccc(C)c1C 1871049501 JGCODYYOSHZBEJ-UHFFFAOYSA-N 443.374 6.149 30 10 IKEE COc1ccc([C@H](C)N2COc3c(cc4c(c3C)O/C(=C\c3cccc(C)c3)C4=O)C2)cc1 1871358813 CODDSITUHSGOGJ-YCCHBACSSA-N 441.527 5.841 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1C 1871372428 QUVILYLBYAIWJO-MYYYXRDXSA-N 426.512 6.571 30 10 IKEE Cc1cc(OC(=O)c2cc3ccccc3oc2=O)cc2c1C(=O)/C(=C/c1cccc(F)c1)O2 1871379516 TVPIDMFRLPTLLX-JJFYIABZSA-N 442.398 5.076 30 10 IKEE CC(C)=C1Oc2c(ccc(O[C@H](C)C(=O)Nc3ccc(Oc4ccccc4)cc3)c2C)C1=O 1871408151 VNNMIOFEPJAFEN-GOSISDBHSA-N 443.499 6.062 30 10 IKEE CCCCCCCCCOc1ccc2c(c1C)O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 1871429349 CSCDXBBHZPVSBV-QOMWVZHYSA-N 434.620 8.038 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1cccs1)C2=O 1871430582 LGKVNDXMSKPXGF-OJSPLJLUSA-N 433.529 5.696 30 10 IKEE CCc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2sccc2C)C3=O)cc1 1871454650 VZFBFVPJJDACIE-BKUYFWCQSA-N 433.529 5.561 30 10 IKEE C=CCN([C@@H](CC)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872451195 VYYQVJMXEWJPSN-QHCPKHFHSA-N 428.598 5.021 30 10 IKEE N#C[C@@H](C(=O)Cc1cccc2ccccc12)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872759692 WKEXRADSIVXPMO-SANMLTNESA-N 444.559 7.049 30 10 IKEE CCc1cccc(C)c1N1C[C@H](C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)CC1=O 1872769909 CRAMZEBOZRKWPA-RTWAWAEBSA-N 443.572 5.219 30 10 IKEE COc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3cccc4ccccc34)cs2)cc1OC 1872775357 OQJQBSLIRQIAFJ-ACUNGTFPSA-N 440.524 5.870 30 10 IKEE COc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1 1872784399 SNOYQRXLRACTHM-QGZVFWFLSA-N 426.925 5.208 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc3c[nH]nc3c2)=C(c2cccnc2)C1=O 1873265384 HHNDQQNQCABNEP-UHFFFAOYSA-N 445.567 5.291 30 10 IKEE C=CCn1c(C(=O)Nc2ccccc2C)cc2c(N(CCCC)CCCCCC)ncnc21 1873672813 AWSJNIXOIZLXJP-UHFFFAOYSA-N 447.627 6.365 30 10 IKEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3cc(C)ccc3OCCC)c(=O)oc2c1 1873959587 NSBXEGUKXVWWDN-UHFFFAOYSA-N 449.547 5.725 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(COc2cc(Cl)ccc2Cl)nnc1SC 1874205819 VQFUMHPBBCSMDS-FSJBWODESA-N 449.363 5.333 30 10 IKEE COc1cccc(CCc2nnc(SCc3ccccc3F)n2/N=C/c2ccccc2)c1 1874310081 DFJUNKXFRJTWFQ-WPWMEQJKSA-N 446.551 5.386 30 10 IKEE CCCOc1ccccc1/C=N/n1c(COc2ccc(C)cc2C)nnc1SCCC 1874328485 QPORHFUGELQBLR-PCLIKHOPSA-N 438.597 5.647 30 10 IKEE Clc1ccc(CSc2nnc(CCc3cccs3)n2/N=C/c2ccc[nH]2)cc1 1874372453 ZZHNMYBJQQYMST-YDZHTSKRSA-N 427.986 5.281 30 10 IKEE Cc1ccccc1CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1ccc(O)c(O)c1 1874392485 NPLALGHUDNNBOT-GTPWMTBTSA-N 444.560 5.324 30 10 IKEE COc1cccc(/C=N/n2c(CC3CCCCC3)nnc2SCCc2ccccc2)c1 1874408131 IGPRBQBDDOXORQ-LGUFXXKBSA-N 434.609 5.627 30 10 IKEE CN(C)c1ccc(/C=N/n2c(Cc3cccs3)nnc2SCc2ccccc2)cc1 1874412160 FTDPHSVJLYLWKA-LFVJCYFKSA-N 433.606 5.171 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2cccc3ccccc23)c1 1874446049 RMAMLNRHXJATGJ-RLWVUDJFSA-N 442.588 6.074 30 10 IKEE Cc1cccc(C)c1NC(=O)CSc1nnc(C2CCCC2)n1/N=C/c1cccs1 1874454916 RLGIEUIXKJCBIL-YDZHTSKRSA-N 439.610 5.227 30 10 IKEE Cc1ccc(CSc2nnc(CC(C)C)n2/N=C/c2ccc(Br)cc2)cc1 1874486464 SRLUDDLPUAVYKF-YDZHTSKRSA-N 443.414 5.722 30 10 IKEE C=C(C)CSc1nnc(COC)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874501343 CKYYYBQLVKQIDG-WYMPLXKRSA-N 442.972 5.207 30 10 IKEE C=C(C)CSc1nnc(COC)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874501389 FNLILDCRFYAKDP-WYMPLXKRSA-N 442.972 5.207 30 10 IKEE COc1cc(Br)cc(/C=C/C(=O)c2ccccc2)c1OCc1cccc(F)c1 1874577836 ICZIMWARIVARCK-ZHACJKMWSA-N 441.296 6.072 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1)c1cccc2ccccc12 1874583324 IDPJTPKJJLTDCS-GXDHUFHOSA-N 443.886 6.877 30 10 IKEE Cc1ccc(C)c(COc2ccc3ccccc3c2/C=C/C(=O)c2cccc3ccccc23)c1 1874583445 NHTGVITWUOBXIM-ISLYRVAYSA-N 442.558 8.085 30 10 IKEE CCN(CC)C(=O)COc1ccccc1/C=C/C(=O)c1cc(Cl)cc(Cl)c1OC 1874586514 QOSUUABJPZMIRQ-ZHACJKMWSA-N 436.335 5.145 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)NC2CCCCC2)cc1C 1874587888 JWIYVECTDSACBZ-ZRDIBKRKSA-N 425.956 5.681 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OCc1c(Cl)cccc1Cl 1874595425 KSANJMNNYXQELD-VZUCSPMQSA-N 447.745 7.131 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OCc1ccc(Cl)cc1 1874613077 BFIUBUCBHSNJJP-XYOKQWHBSA-N 427.327 6.867 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OCc1c(F)cccc1Cl 1874613344 PMKVVZMPMMBJQP-CSKARUKUSA-N 431.290 6.616 30 10 IKEE C=C(C)COc1c(Cl)cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC 1874627480 MGKMTVFYYLPZKD-CMDGGOBGSA-N 428.956 6.640 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OCc1ccccc1C 1874638021 DTNJDDQRSUVNHQ-XYOKQWHBSA-N 441.354 7.176 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)ccc1OCc1ccc(Cl)cc1 1874639311 TXUPZJUYEQDEAO-BJMVGYQFSA-N 443.326 6.486 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OC(=O)c1ccc(C(F)(F)F)cc1 1874709391 DHONVAVNKOQCGP-SWGQDTFXSA-N 444.380 5.968 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc(F)cc3)c2)cc1C(C)C 1874711203 UWSXISKKHPGXGR-MDWZMJQESA-N 432.491 6.381 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc(Cl)c1OC(=O)C1CC1 1875080071 BZQAAJYYYROWDQ-VGOFMYFVSA-N 432.903 6.227 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OC 1875159145 DJCMFIWFMDLYAJ-RIYZIHGNSA-N 434.463 5.277 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3Cl)c(Cl)c2)cc1C 1875175563 VYPWHAWZJODIJN-DHZHZOJOSA-N 425.311 6.726 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OC 1875179040 PUBUIMLXZBEPAQ-JLHYYAGUSA-N 430.500 5.365 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2ccccc2F)cc1 1875179568 PYFLGPFCYUGGSA-FMIVXFBMSA-N 438.882 5.840 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1 1875182441 DJRVPCIDNIPAJG-YRNVUSSQSA-N 434.919 6.389 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)cc(OC)c1OC(C)=O 1875187568 CTEJAIHVWQRJKR-BQYQJAHWSA-N 435.303 5.561 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)C3CCCC3)c(OC)c2)cc1Cl 1875187905 YGCSOBNMVTUVDA-CSKARUKUSA-N 444.911 5.358 30 10 IKEE CC1(C)OB(/C=C/c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)OC1(C)C 1883108819 OXORTEAALUJKDI-ISLYRVAYSA-N 442.364 6.489 30 10 IKEE COc1ccc(NS(=O)(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)cc2)cc1C#N 1891709961 BMHHDNDRPHSDRQ-UHFFFAOYSA-N 433.316 5.341 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 1922055848 VLPZUGVLKWSIBC-PKTZIBPZSA-N 428.617 5.165 30 10 IKEE CN(CCC[C@@](C)(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1980066254 VJKGLRHPOAFUFO-QFIPXVFZSA-N 437.606 5.415 30 10 IKEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1999941169 LXKHFTNJAUHKTK-QMHKHESXSA-N 449.979 5.621 30 10 IKEE C=CCCSCCNCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2016686712 XEKAQCXBMMJPPK-UHFFFAOYSA-N 433.617 6.244 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@@H](C(C)C)N(Cc2ccccc2)C1 2029763601 MSOCQZOYWUTQFT-IGKIAQTJSA-N 433.596 5.929 30 10 IKEE C=C1CCC(C[C@H](C[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)NCCC)CC1 2035472191 YVROVDBGCSNWCF-JWQCQUIFSA-N 444.660 5.991 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)cc1 2040979400 ZTLVAPWUTWLMDV-XMZFGDCGSA-N 441.572 5.276 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)[C@@H](C)CN(C(=O)OC(C)(C)C)C[C@H]2C)cc1 2042148503 MEYQGETXLFAHSS-XMZFGDCGSA-N 443.588 5.522 30 10 IKEE CCN1CC(=Cc2ccc(N(CC)CC)cc2)C(=O)C(=Cc2ccc(N(CC)CC)cc2)C1 2053611794 SBBSOVIOYNQVMD-UHFFFAOYSA-N 445.651 5.751 30 10 IKEE CC(C)(C)c1nn(-c2nc(C(F)(F)F)ccc2F)c(C(F)(F)F)c1Br 2078892777 GEWGUHKUAVUPQL-UHFFFAOYSA-N 434.153 5.504 30 10 IKEE CCc1ccc([C@H](n2nc(C(C)C)c(C#N)c2I)C(C)(C)C)cc1 2079043106 WFIKTWCXYCNJIN-SFHVURJKSA-N 435.353 5.681 30 10 IKEE CC1(c2nn([C@H](c3ccc(C(F)(F)F)cc3F)C3(C)CC3)c(Cl)c2C=NO)CC1 2079944146 MGWXSTFOROTXFV-MRXNPFEDSA-N 429.845 5.944 30 10 IKEE CC[C@@H](c1ccc(C2CCC2)cc1)n1nc(C2CC2)c(C=NO)c1I 2079951829 YXGRXDNXVMRJDB-SFHVURJKSA-N 449.336 5.440 30 10 IKEE CCCOc1ccc([C@H](C(C)C)n2nc(C(F)(F)F)c(C=NO)c2Br)cc1 2080088326 OXWCNOFIZRPZLM-HNNXBMFYSA-N 448.283 5.507 30 10 IKEE C=CC[C@@](C)(CNC(=O)OC(C)(C)C)COc1cc(Cl)c(Br)cc1N 2082207828 SYAIFMKIOQMGDU-SFHVURJKSA-N 433.774 5.171 30 10 IKEE CCCCCC#CC[C@@H](N)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2083439965 OUPNPTJVGLTEMV-HHHXNRCGSA-N 427.588 6.818 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@@H](C#N)c1c(Cl)cccc1Br 2094994159 DGLTVJFOYXFARR-INIZCTEOSA-N 439.712 6.248 30 10 IKEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN(Cc1ccccc1)[C@H](C)C(C)(C)C 2095898904 WVNWIEPTFNWHJK-HXUWFJFHSA-N 437.433 5.431 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCC(C)(C)C[C@@H]2OCc2ccccc2)c1 2105748903 HULWDKBWHBOCGH-CUBQBAPOSA-N 448.607 6.794 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCC(C)(C)C[C@H]1OCc1ccccc1 2105752296 VOMOKVVXDLLFIM-YWEHKCAJSA-N 448.607 6.794 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1CCNc1ccc(C#N)c(Br)c1F 2106031710 ZKZXKWWYJHWDHY-AWEZNQCLSA-N 426.330 5.051 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H]3C[C@H](OCc4ccccc4)C[C@H]32)c1 2133970850 XJQJELMVLBYJKX-BUQBWPEYSA-N 448.563 5.714 30 10 IKEE C=CCN(CC[C@H](NCCC)c1nc(C(C)C)[nH]c1Br)C(=O)OC(C)(C)C 2155520568 DZABVIGEJAHASN-HNNXBMFYSA-N 443.430 5.150 30 10 IKEE C=CCC1([C@@H](NC)c2sc(C)c(Br)c2C)CN(C(=O)OC(C)(C)C)C1 2217530200 YMEOERYGTBMXDA-INIZCTEOSA-N 429.424 5.201 30 10 IKEE CCN[C@@H](C#Cc1ccc(CC)cc1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2223324418 MWKHOLJOEUZSPZ-AREMUKBSSA-N 434.624 5.796 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(C)c(Br)c(C)c1 2227360528 SYBAHNROLMIDQT-PKOBYXMFSA-N 425.411 5.576 30 10 IKEE N#C[C@H](C(=O)c1cc(Br)sc1Br)c1ccc(F)c(Cl)c1 2233365628 DCDLRJVCPRDXEV-QMMMGPOBSA-N 437.515 5.556 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)CCCCN(C)C(=O)OC(C)(C)C 2235734414 XBOVNMXMYLKAFD-IBGZPJMESA-N 437.422 5.206 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Br)cc(C(C)(C)C)c1 2273002261 ALGOXSQYHRBARQ-MSOLQXFVSA-N 425.411 5.477 30 10 IKEE C=CCCC1([C@@H](NCCC)c2ccc(Br)cc2)CN(C(=O)OC(C)(C)C)C1 2281049230 YGNZTZLBZQLTLI-IBGZPJMESA-N 437.422 5.693 30 10 IKEE C#CCN1C(=O)SC(=Cc2cc(Br)ccc2OCc2cccc(C)c2)C1=O 2293294603 KHDQWVJXNZMYPA-UHFFFAOYSA-N 442.334 5.006 30 10 IKEE Cc1ccc2nc(N3C(=O)C(=O)C(=C(O)c4ccccc4)[C@@H]3c3ccc(F)cc3)sc2c1 2296099263 XXNYGLZRWUNMGI-NRFANRHFSA-N 444.487 5.370 30 10 IKEE CCN(CC)c1ccc(C=Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1 2297708310 VHORGBOCHKIKPA-UHFFFAOYSA-N 426.608 5.606 30 10 IKEE COc1cc(C=C2SC(=Nc3ccccc3)NC2=O)ccc1OCc1ccc(F)cc1 2313507341 GLWAHTZESGBQDO-UHFFFAOYSA-N 434.492 5.305 30 10 IKEE O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccccc1F 2314478382 SOCGAMWZHNBVON-VWLOTQADSA-N 427.475 5.046 30 10 IKEE O=C1C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)Oc2ccc(Br)cc21 2314519635 WDXBATDPVKEEKI-UHFFFAOYSA-N 436.088 6.632 30 10 IKEE O=C1C(=Cc2c(Cl)cccc2Cl)SC(=Nc2nccs2)N1c1ccccc1 2314542296 IYBTWRZQLDHQOC-UHFFFAOYSA-N 432.357 6.259 30 10 IKEE CCN(Cc1ccccc1)c1ccc(C=Nn2cnnc2SCCc2ccccc2)cc1 2321286773 DYXYGSSGDHZRDL-UHFFFAOYSA-N 441.604 5.522 30 10 IKEE O=C(C=Cc1c(OCc2ccccc2)ccc2ccccc12)c1ccc(Cl)cc1Cl 2322384000 PIGYBFKIFXQMJS-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE CCCN(CCC)C(=O)COc1c(C=CC(=O)c2ccccc2Cl)cccc1OC 2322437097 JTHJAJWNPGRBOX-UHFFFAOYSA-N 429.944 5.272 30 10 IKEE O=C(C=Cc1ccccc1OCc1ccc(Cl)cc1)c1cccc(Br)c1 2322457419 GCDRXHUKLMYQPZ-UHFFFAOYSA-N 427.725 6.578 30 10 IKEE CCCCOc1ccc(C=NNc2cnn(-c3ccccc3Cl)c(=O)c2Cl)cc1 2322624135 XLXSMOYJEFZRPA-UHFFFAOYSA-N 431.323 5.164 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2cccc(C)c2C)cc1F 2322705085 DJWYAZABTXRGIO-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE COC(=O)c1ccc(COc2ccccc2C=CC(=O)c2cc(C(C)C)c(OC)cc2C)o1 2322788599 ZEGQMBIKPCEEPY-UHFFFAOYSA-N 448.515 5.982 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1OCc1ccc(F)cc1 2323073163 MUBJDOSUTBZTSP-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2OC)cc1OCC(=O)Nc1cc(C)cc(C)c1 2323101686 NIJIXQZLRRPIDI-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OC(=O)CCc4ccc(Cl)cc4)c3C)C2=O)cc1 2323105970 TVNHRLWQONTUOO-UHFFFAOYSA-N 448.902 5.811 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OC(=O)CCc4ccc(Cl)cc4)c3C)C2=O)c1 2323114512 SQTJCFWCDDXUCG-UHFFFAOYSA-N 432.903 6.111 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OCc1cccc2ccccc12 2324257566 SCSVJDJGZRDSJK-UHFFFAOYSA-N 444.477 6.992 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccccc4)c3C)C2=O)cc1 2324405739 SXFYWQBPTIVBMV-SFHVURJKSA-N 427.500 5.580 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1C 2324441919 VOLICAXXKOMLHQ-UHFFFAOYSA-N 445.773 7.739 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OCCc2ccccc2)c(Cl)c1 2324574047 GGAKRUZBWUPQDC-UHFFFAOYSA-N 432.991 7.464 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OCc4cc(C)c(C)cc4C)ccc3C2=O)cc1 2324765315 VGTZCZFIPHMLCA-UHFFFAOYSA-N 441.571 6.653 30 10 IKEE CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccc(C)o2)C3=O)c1 2324826057 MRLVJDJXOZDBAL-KRWDZBQOSA-N 445.471 5.121 30 10 IKEE O=C1C(=Cc2ccccc2OC(F)F)Oc2cc(OCCOc3ccccc3F)ccc21 2324853070 PYVIAYWNZSSFSZ-UHFFFAOYSA-N 442.389 5.501 30 10 IKEE Cc1c(OCCN2CCCCC2)ccc2c1OC(=Cc1c(Cl)cccc1Cl)C2=O 2325701703 RHJVKYLDVXXBDJ-UHFFFAOYSA-N 432.347 5.783 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)c1 2325740617 OEYPIDZWNKPVFH-UHFFFAOYSA-N 446.415 5.235 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cccc(C)c3)c2)c(OC)c1 2325760902 OOFVCKDVLNCRGL-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE CCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1ccc(N(CC)CC)cc1 2326323717 KQFNNYQWRFYRHI-UHFFFAOYSA-N 449.668 6.159 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccc(F)cc1 2326524068 PZAUGKVOSURAJC-UHFFFAOYSA-N 430.936 5.508 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(OC(C)C)cc1 2326735840 BQHZDLWBWNJTKT-UHFFFAOYSA-N 426.561 5.722 30 10 IKEE Cc1cccc(OCCCc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccc[nH]2)c1 2326974286 WQPJHVUFPNBRMJ-UHFFFAOYSA-N 449.555 5.240 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(CCCOc2ccccc2C)nnc1SC 2327049021 UHKATTJQCAHMCP-UHFFFAOYSA-N 446.576 5.364 30 10 IKEE Cc1ccccc1CSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccccn1 2327511933 MVUDIHWBVKXNBO-UHFFFAOYSA-N 449.967 5.388 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1c[nH]c2ccccc12 2328944426 FERGWXQTYBRGGO-UHFFFAOYSA-N 429.593 5.712 30 10 IKEE CCc1ccc(C=Nn2c(CCc3cccs3)nnc2SCCc2ccccc2)cc1 2329667587 OWVZMLBDWXVFSP-UHFFFAOYSA-N 446.645 5.904 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(F)cc3)n2N=Cc2cc(C)ccc2O)c1 2329817598 FUFRQDDYFZWHCE-UHFFFAOYSA-N 446.551 5.505 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(C)c3)n2N=Cc2ccccc2F)cc1 2329947363 NLVMGCWWHKKEAD-UHFFFAOYSA-N 430.552 5.799 30 10 IKEE Cc1ccccc1CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1ccccc1F 2330057827 UVXNEKAGNSBCIG-LJQANCHMSA-N 430.552 6.052 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@H](C)c3ccccc3)n2N=Cc2ccncc2)c1 2330132009 BHLPWZSXWCWCQU-HXUWFJFHSA-N 427.577 5.616 30 10 IKEE CSc1ccc(C(=NOCc2cc(=O)c(OCc3ccccc3)cn2C)C2CC2)cc1 2330390433 XCHNLLWJPNCDTN-UHFFFAOYSA-N 434.561 5.017 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC(=O)COC 2330611502 ULLSYVRKPOFBST-UHFFFAOYSA-N 442.511 5.539 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2cccc([N+](=O)[O-])c2)cc1 2330623619 NOGDDKPGEHENHT-UHFFFAOYSA-N 429.505 5.336 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(Cl)c1OC(=O)CC(C)C 2330690288 VSIOTQKNACAXOR-UHFFFAOYSA-N 440.967 6.465 30 10 IKEE CCCCCCOc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCC)cc1OC 2330833010 FECKQSYUZQPKOU-UHFFFAOYSA-N 432.634 5.829 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccnc2)c(Cl)c1)c1ccc(Br)cc1 2330886801 GNFPHIDTQPXBDM-UHFFFAOYSA-N 442.696 5.613 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2ccc(Cl)cc2Cl)nnc1[C@H]1CCCO1 2331002346 HYIADKSCUZHUFN-LJQANCHMSA-N 447.391 5.919 30 10 IKEE C=C(C)CSc1nnc(C(F)(F)F)n1N=Cc1ccc(OCc2ccc(C)cc2)cc1 2331136239 NFFDYPFGFROOMR-UHFFFAOYSA-N 446.498 5.735 30 10 IKEE Cc1nc2ccc(C(=O)Oc3ccc(C=CC(=O)c4ccccc4)cc3Cl)cc2nc1C 2331165828 IEZCWAVKWVQCLA-UHFFFAOYSA-N 442.902 6.015 30 10 IKEE C=C(C)CSc1nnc(CCCC)n1N=Cc1ccc(OCCCCCC)c(OC)c1 2331336866 FLOKMDYCIPMFEB-UHFFFAOYSA-N 444.645 6.139 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3OC)cc2)cc1 2331351962 QCHZHVBUNPUCTP-UHFFFAOYSA-N 444.527 5.837 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(SCc2ccccc2)nnc1C(C)(C)C 2331394635 FKTHQFLRZUMUMF-UHFFFAOYSA-N 430.577 5.912 30 10 IKEE Cc1ccsc1C=Nn1c(SCc2c(Cl)cccc2Cl)nnc1C(C)(C)C 2331400753 QODHRPXLTXFMIS-UHFFFAOYSA-N 439.437 6.427 30 10 IKEE CC(C)Cc1nnc(SCc2ccccc2F)n1N=Cc1ccccc1OC(C)C 2331453737 DKFQLOZNWIOLSO-UHFFFAOYSA-N 426.561 5.577 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cn(C)c2ccccc12 2331467557 DTCIGPZIJLEWAJ-UHFFFAOYSA-N 438.000 5.796 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3[N+](=O)[O-])c(Cl)c2)cc1C 2331705855 VSPVBJNTUAISHM-UHFFFAOYSA-N 449.890 5.909 30 10 IKEE CC(C)c1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(C(C)(C)C)cc1 2331705861 WBPMHANPDLQNOE-UHFFFAOYSA-N 442.632 7.027 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1ccc(C)cc1 2331779639 SMHVVYIPAGZVII-UHFFFAOYSA-N 428.528 6.434 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)C(C)C)c(Br)c2)cc1Cl 2331821113 NZEIFPNBLWKDFF-UHFFFAOYSA-N 437.717 5.569 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cccs3)cc2)c2ccccc12 2331864332 QKYWKBYEVPNSNC-UHFFFAOYSA-N 428.509 5.954 30 10 IKEE CC(C)[C@H](CCNC(=O)OC(C)(C)C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339589394 WXMOXNOWXHYMKR-IBGZPJMESA-N 446.397 5.044 30 10 IKEE CC1(C)OB(/C=C/c2ccc(N[C@@H]3CN(Cc4ccccc4)C4(CCC4)C3)nc2)OC1(C)C 2365068323 OUITVYHTIQYLPD-IGVGMEOHSA-N 445.416 5.335 30 10 IKEE O=C1/C(=C\c2cccc(Br)c2)Oc2cc(OCc3ccccc3F)ccc21 2427157 FMEXQUIIJMAMJY-SRZZPIQSSA-N 425.253 5.783 30 10 IKEE Cc1ccc(/N=C2/c3ccccc3C3=NC(=O)N[C@@](c4ccccc4)(C(F)(F)F)N32)c(C)c1 14092640 UUOIXSUFCIKXRN-ZWHBUZGISA-N 448.448 5.582 30 10 IKEE CC(=O)c1c(-c2ccccc2)c(C(=O)c2ccc(C#N)cc2)n2cnc(-c3ccccc3)cc12 19910050 KMMYQSXLHJOPIS-UHFFFAOYSA-N 441.490 5.974 30 10 IKEE CCCOc1c(OC)cccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(CC)cc1)C2 20883532 PTISLLUCHYMLES-TZIWHRDSSA-N 433.548 5.051 30 10 IKEE COc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cccc(OC)c1O 21231229 SAEDLFAMOZUGGP-AKJBCIBTSA-N 442.515 5.389 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2F)cc1 21250772 DXJMKBDEXHCRJT-MYUZEXMDSA-N 428.507 6.204 30 10 IKEE CCCn1cc(CN/C(=N/C(=O)c2ccc(C(C)(C)C)cc2)Nc2ccccc2F)c(C)n1 32972991 LPNIPPZMFBMRRW-UHFFFAOYSA-N 449.574 5.436 30 10 IKEE CCCN(CCCNc1ccc(N=[N+]=[N-])cc1[N+](=O)[O-])[C@@H]1CCc2cccc(OC)c2C1 33753431 NSSKXPZJFSGUMR-LJQANCHMSA-N 438.532 5.617 30 10 IKEE O/C(CN(Cc1ccccc1)Cc1ccccc1)=N\c1nnc(-c2ccccc2Cl)s1 39750664 FZPUCZUISBWGJF-UHFFFAOYSA-N 448.979 6.149 30 10 IKEE COC(=O)c1ccc2c(c1)C(=O)/C(=C/c1ccc(-c3cccc(Br)c3)o1)O2 39842610 IMESJPYUYZJQBO-ODLFYWEKSA-N 425.234 5.112 30 10 IKEE Cc1ccc(-c2c(C#N)c(N)nc3c(C(N)=O)c(Nc4ccc(C(C)C)cc4)sc23)cc1 39895247 VQYZHUMIRQFAPP-UHFFFAOYSA-N 441.560 5.692 30 10 IKEE C=CCc1ccc(OCCCn2c([C@@H](C)N3CCCCCC3)nc3ccccc32)c(OC)c1 39917422 LOHVYDGXNWKTTO-JOCHJYFZSA-N 447.623 6.180 30 10 IKEE COc1ccc(CCN2COc3c(cc4c(c3C)O/C(=C\c3ccc(C)cc3)C4=O)C2)cc1 41586717 ATAQRRUDOLWCKH-QFEZKATASA-N 441.527 5.323 30 10 IKEE COc1ccc(N/C(=N/OC(=O)Nc2ccccc2)c2ccc(Cl)cc2)c(OC)c1 59416988 APQQYECHSNBYKR-UHFFFAOYSA-N 425.872 5.380 30 10 IKEE CC/C(C)=N/Nc1nc2cc(C)c(NC(=O)c3ccc(OC)c(OC)c3)c(C)c2s1 78400587 AVOMUGOLOOSYIS-DHRITJCHSA-N 426.542 5.380 30 10 IKEE COc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3cccc(C)c3C)n2)cc1OC 96924496 JXMJTDSRDIOZLS-KHPPLWFESA-N 436.533 5.358 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2 100347542 YVJKBHYLMIKQLY-YDIMBITNSA-N 446.418 7.875 30 10 IKEE O=C(Nc1ccccc1)[C@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2ccc(Cl)cc2)S1 100397548 SIZYZTYBBTTWPZ-LQUAGZSJSA-N 449.963 5.501 30 10 IKEE CCCCCCCCCCCn1c(C)c(C(N)=O)c(-c2ccc3c(c2)OCCO3)c1C 102448631 ZHLNHVJHRVVTKY-UHFFFAOYSA-N 426.601 6.173 30 10 IKEE CCCCCCCC[C@@](CC)(c1c(C)nn(-c2ccccc2)c1C)n1nnc2ccccc21 102997019 RQZCMYXERNCQSN-NDEPHWFRSA-N 443.639 7.138 30 10 IKEE CNC(=O)c1ccc(/C=C/C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 107879241 SCQKSAPVSWTZIA-UNJYKCMZSA-N 429.907 5.007 30 10 IKEE 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)C[C@@H](O)C[C@@H]1O 138961936 ODZFJAXAEXQSKL-PLSAMPCASA-N 428.657 5.727 30 10 IKEE in-vitro COc1cccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2ccc(F)cc2)c1 169929191 GBDQRXIDINUHHJ-HSZRJFAPSA-N 442.446 5.099 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3ccccc3)cs2)cc(Cl)c1OCC(C)C 169942688 IZNGPYPNASCVDB-MSXFZWOLSA-N 429.973 6.343 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccs1 169984259 FHIVEJFKWKDGEO-LJQANCHMSA-N 444.339 6.146 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1cccs1)c1cccc2ccccc12 169987821 PLVOJGSBZDSQTJ-JOCHJYFZSA-N 447.462 5.962 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@H]2c2ccccc2C)cc1 170088783 WHBVTCMDHJKIHL-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccco2)c1 170089700 XVZHXWTYKMNSJT-HSZRJFAPSA-N 443.455 5.598 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(O)cc2)cc1C(C)C 170138314 UQKLSWUWWNWPGV-XMMPIXPASA-N 449.547 5.354 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccccn2)c1 170172109 NTKCPGYPHOSRJN-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccccc2C)cc1 170272515 KJZGAFSDXNHFFB-VWLOTQADSA-N 441.527 5.874 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccccc1C 170272637 VDOHRIPAGPQBGG-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccco2)cc1C(C)C 170290087 IFQDFYAGJRZBAD-HSZRJFAPSA-N 431.488 5.503 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccco2)cc1 170292391 ACIRVKGFDUCEOF-QHCPKHFHSA-N 446.503 5.022 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccc(C)o1 170303192 PRJSEOFRARCHHT-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2sccc2C)cc1 170315280 ZSORUJSOTSYLLL-QHCPKHFHSA-N 439.536 6.301 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2sccc2C)cc1Cl 170317494 NAPOESVFWTWEAA-LJQANCHMSA-N 445.968 5.630 30 10 IKEE CCCCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(CC)cc2)cc1 170391674 MLLHUMCAYLBGMO-XMMPIXPASA-N 445.584 6.436 30 10 IKEE Cn1cc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cccc(Cl)c2)c2ccccc21 170395911 WPXGDWJERPCMSC-NRFANRHFSA-N 448.931 5.676 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(N(CC)CC)cc2OC)SC1=Nc1ccc(OC)cc1 252629602 UJUOMSBOBXQIEM-LAJNNLEESA-N 439.581 5.174 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccnc2)c1 526487931 HTYJYJDPCYBNPR-DEOSSOPVSA-N 425.488 5.189 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1/N=C\c1ccc(OCC)c(Cl)c1 526802576 HHUTWWIAGDQFQN-CFRMEGHHSA-N 432.952 5.596 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccccc2F)cc1 526805518 NTCQPSUJAGULEE-PKAZHMFMSA-N 430.552 5.685 30 10 IKEE C=C(C)CN(C(c1ccccc1)c1ccccc1)S(=O)(=O)c1cc(Cl)ccc1OC 586157224 YYJNCMIAIWQKMU-UHFFFAOYSA-N 441.980 5.705 30 10 IKEE C=CCN(CC=C)C(=O)Nc1cccc(C(=O)Nc2ccc(C)cc2Br)c1 586673262 NWSVNZZXZIVADH-UHFFFAOYSA-N 428.330 5.216 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CC[C@H](C)N(C(=O)OC(C)(C)C)C2)c1 698416559 ATSHCHNAPYXPNU-UUOWRZLLSA-N 429.561 5.418 30 10 IKEE Cc1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)ccc1Br 698960094 VLOLWBSFOOFKDW-GOSISDBHSA-N 435.749 6.417 30 10 IKEE CCCCCCCCCC[C@@H](NC)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 702454678 ZDDXEPGGVTYWQJ-JWQCQUIFSA-N 447.708 6.131 30 10 IKEE CN(Cc1ccccc1)C1(CNCc2ccc(Br)cc2C#N)CCCCC1 714231267 UOXACZOCOPEAKB-UHFFFAOYSA-N 426.402 5.245 30 10 IKEE C=C1CCC(C[C@@H](NCC)c2ccc(NC(=O)OC(C)(C)C)c(Br)c2)CC1 724567407 KDDACHRTBRKYPP-HXUWFJFHSA-N 437.422 6.583 30 10 IKEE CCOC(=O)Cc1ccc(N=Cc2cc([N+](=O)[O-])ccc2N2C[C@@]3(C)C[C@H]2CC3(C)C)cc1 1083974553 PRFDXCCEZWDLIP-ATIYNZHBSA-N 449.551 5.466 30 10 IKEE CC/N=C1/S/C(=C/c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)C(=O)N1CC 1084080827 MHKZNVJZNAIUDI-RWBSCQHUSA-N 429.589 6.073 30 10 IKEE CC(=C/c1ccccc1)/C=C1\SC(=Nc2cccc(C(=O)O)c2)N(c2ccccc2)C1=O 1772733485 ATUDHUJHRJYQAY-ZBBVLZMWSA-N 440.524 6.140 30 10 IKEE CCN1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])SC1=Nc1nc(-c2ccccc2)cs1 1772738920 RRAHPTCEJBGAAK-AQEWOIMGSA-N 436.518 5.342 30 10 IKEE Cc1ccc(-c2nn(-c3cccc(F)c3)cc2/C=N\NC(=S)Nc2cccc(C)c2)cc1 1857808675 JBBCPLAEPBHETQ-DICXZTSXSA-N 443.551 5.616 30 10 IKEE Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N\NC(=S)Nc2cc(C)cc(C)c2)cc1 1857811499 SGCXQABEUPOFOW-YUMHPJSZSA-N 439.588 5.785 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccc2OCc2ccccc2C#N)c1 1858739698 ZNJPDVRNDMFPFV-UHFFFAOYSA-N 426.520 5.622 30 10 IKEE N#Cc1ccccc1NC(=O)Oc1cccc2c(NC(=O)Cc3ccccc3F)cccc12 1858779759 CIRWIVPZLVHTFT-UHFFFAOYSA-N 439.446 5.643 30 10 IKEE N#Cc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)n(Cc3ccc(Cl)cc3)n2)cc1 1859384508 NIJGKKMPSWXPBW-UHFFFAOYSA-N 430.870 5.515 30 10 IKEE N#Cc1c(NC(=O)c2ccc3oc(-c4ccc(Cl)cc4)nc3c2)sc2c1CCCC2 1859742966 PFJQFJWJTSZGMZ-UHFFFAOYSA-N 433.920 6.212 30 10 IKEE COc1cc(/C=C/C(=O)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccccc1 1860728384 MFTDFCXYENPYJS-ACCUITESSA-N 435.907 5.457 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@@H]2c2cccc(F)c2)cc1 1862414081 RFMYYOBCQXXUKC-QFIPXVFZSA-N 437.417 5.191 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccccc2F)cc1 1862444205 XUYIHLBUJTXWOK-QHCPKHFHSA-N 449.909 5.609 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2cccc(C)c2)c1 1862445585 ZGTMISGPGWYECP-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(OC(C)C)c(OC)c1 1862453527 BZZIQLYOCPUTEV-OAQYLSRUSA-N 443.927 5.124 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2C2CCCCCC2)cc1 1862455847 DIXWBAXTZVKNJB-QFIPXVFZSA-N 443.465 5.713 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(Cl)c(Cl)c1 1862498445 IUJXSFMNLPEMQI-XOBRGWDASA-N 432.347 5.987 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(C(C)(C)C)cc1 1862549554 RIPIJKDSQMMRIZ-AVRWGWEMSA-N 445.603 6.240 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCC2=CCCCC2)c1 1862559555 QUEQNFJUDVBJAN-XMMPIXPASA-N 446.547 5.136 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2ccc(C)cc2)cc1F 1862637140 UYOXIEOUDXKWML-DEOSSOPVSA-N 445.490 5.230 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc(C)c1 1862649057 PNOYIXMUALDTQI-VWLOTQADSA-N 427.544 6.307 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc(O)c1 1862650508 XOPYMNBLUQMCQF-DEOSSOPVSA-N 429.516 5.704 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C(C)C)cc3)[C@H]2c2cccc(C)c2)cc1 1862660064 GYZQTUZFJGCQAJ-AREMUKBSSA-N 439.555 6.205 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccccc2)cc1 1862661178 TXOSQZWXBUVERT-RUZDIDTESA-N 425.528 5.631 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CCCCC2)cc1 1862663013 NECNSIVHPDYDAI-XMMPIXPASA-N 433.548 5.730 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1c(F)cccc1Cl)c1ccc(F)cc1 1862678735 VMZGVQRZYOHOEZ-HXUWFJFHSA-N 431.866 5.529 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2cccc(Cl)c2)c1 1862700118 BGUFDTNYJXPDBP-GNSUPJDDSA-N 439.939 5.506 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2CC(C)C)cc1 1862721440 FJDNDUXXRQDCBC-RUZDIDTESA-N 425.528 5.896 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1 1862722529 SLWVYQXIMRSYBD-MHZLTWQESA-N 445.518 6.132 30 10 IKEE N#Cc1ccccc1N1C(=O)C(Nc2cccc(Cl)c2)=C(c2ccc(Cl)cc2)C1=O 1862804757 KXLSQRJOVOHISM-UHFFFAOYSA-N 434.282 5.262 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3cc(Cl)ccc3Cl)C2=O)cc1 1863014149 ZDJRLEJYVLDGKM-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE CC(C)CCN1C(=O)C(Nc2cccc(C#N)c2)=C(c2cc(Cl)ccc2Cl)C1=O 1863388624 SCYXBRNZZZRJSV-UHFFFAOYSA-N 428.319 5.103 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2cccs2)C1=O 1863479042 SHGCRYJSQKKJRE-UHFFFAOYSA-N 435.593 5.952 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC2CCCC2)=C(c2ccc(F)c(C)c2)C1=O 1863790917 UTZUIZQTCVZGSH-UHFFFAOYSA-N 428.592 5.887 30 10 IKEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CCC)[C@@H]1c1sccc1C 1864497622 BYXRYGCNRFBXJP-IBGZPJMESA-N 444.645 5.143 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)C[C@@H]2CCCC[C@@H]2c2ccccc2)c1 1866151087 HCVDEEKEDAEHGZ-UKILVPOCSA-N 436.555 6.400 30 10 IKEE C[C@@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C#N)cc1)c1ccc(Cl)cc1 1866717276 WAVCVKGDZGBDRJ-UUOWRZLLSA-N 445.950 5.071 30 10 IKEE C[C@H]1COC[C@@H](C)N1c1cc(Nc2ccccc2C#N)nc(-c2ccc(C(C)(C)C)cc2)n1 1868550865 WPYVLBVXTCVRBH-KDURUIRLSA-N 441.579 5.670 30 10 IKEE C=CCN(CC=C)c1cc(N2CCN(C(C)C)c3ccccc32)nc(-c2cccnc2)n1 1869367722 DXBMPQQJDDPLTP-UHFFFAOYSA-N 426.568 5.084 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)c2ccc(Cl)cc2Cl)n(-c2ccccc2)n1 1870001792 UEOZFMAYIOCMHP-UHFFFAOYSA-N 428.323 5.005 30 10 IKEE N#Cc1nnn(Cc2c(F)cccc2Cl)c1NC(=O)c1cccc(Oc2ccccc2)c1 1870109838 LTPJUTGMNDCTLQ-UHFFFAOYSA-N 447.857 5.035 30 10 IKEE CCCCCCCCn1cc(OCCc2ccc(OC)cc2)c(=O)cc1CSC(C)C 1870163719 XOAUOJURXDFCEZ-UHFFFAOYSA-N 445.669 6.481 30 10 IKEE CCCCCCCCn1cc(OCCC(=O)OCC)c(=O)cc1CSc1ccccn1 1870266664 IZTGXOUFVFUPFN-UHFFFAOYSA-N 446.613 5.228 30 10 IKEE COc1cn(CCCCc2ccccc2)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870295365 OZBAJAIWINPQIU-UHFFFAOYSA-N 447.604 5.364 30 10 IKEE CCCCCCCCCCn1cc(OCc2cccc(F)c2)c(=O)cc1CN(CC)CC 1870617191 VNRRMVOIILYTCX-UHFFFAOYSA-N 444.635 6.549 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1COc2ccc3c(c2C1)O/C(=C\c1ccc(Cl)c(Cl)c1)C3=O 1871350480 HXKQTUOSBTUCJS-HFIKXGLWSA-N 444.358 6.340 30 10 IKEE CCCCCN1COc2c(cc3c(c2C)O/C(=C\c2ccc(-c4ccccc4)cc2)C3=O)C1 1871352682 XIMOCXRRIKIHKS-QQXSKIMKSA-N 439.555 6.620 30 10 IKEE CCCCCCOc1cc(C)c2c(c1)O/C(=C\c1cc(OC)c(OC)cc1OC)C2=O 1871399411 JOPOWDARGGMYER-QRVIBDJDSA-N 426.509 5.596 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccccc2)C3=O)cc1Cl 1871401388 BRPVLDNWDGQCPL-SUVVMJBMSA-N 447.918 5.979 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O)Nc1ccc(F)c(F)c1 1871440810 JAUNRIZYUSPFEY-NKVSQWTQSA-N 441.817 5.252 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccccc3Cl)cc(C)c2C1=O 1871455676 TYIJSCIWDXWJCF-UUYOSTAYSA-N 449.890 5.291 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1 1871889437 DYRCXUJYQNSMKS-QFIPXVFZSA-N 449.016 5.331 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1cccc(F)c1)S(=O)(=O)c1cc(C)ccc1C 1871973312 RMPRXEXZOBJEMQ-JOCHJYFZSA-N 446.588 5.207 30 10 IKEE C=CCN([C@@H](C(=O)Nc1cc(C)ccc1C)[C@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1872571578 JXMILHLCQPNMFC-VGOFRKELSA-N 449.016 5.187 30 10 IKEE CC(C)COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 1872760127 HXCDADCTCZYATD-HSZRJFAPSA-N 430.573 6.214 30 10 IKEE Cc1ccc(C)c(OCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1C 1872769450 SCWDJLKLCGAXDX-INIZCTEOSA-N 445.371 6.297 30 10 IKEE CC(C)c1ccccc1O[C@@H](C)C(=O)[C@@H](C#N)c1nc(-c2cccc3ccccc23)cs1 1872775227 MAQIQTJLVCBWTH-FDDCHVKYSA-N 440.568 6.730 30 10 IKEE COc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)s3)cs2)c(OC)c1 1872789379 HKBHTQOVYVXHDC-YVZNUBBCSA-N 430.938 5.432 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H](CC)CCCCC)=C(c2ccccc2C)C1=O 1873102731 GIYPNPBTVREDKQ-JOCHJYFZSA-N 426.645 6.384 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2OC)C(=O)N([C@H]2CCCC[C@H]2C)C1=O 1873152758 NBOPBTCXKOBABX-CTNGQTDRSA-N 426.601 5.304 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(OCCCCCC)cc2)=C(c2c(C)cc(C)cc2C)C1=O 1873330793 UUEXFMCYTJEIEM-UHFFFAOYSA-N 446.591 5.949 30 10 IKEE CC(C)(C)n1ncc(N/N=C/c2cccc(OCc3cccc(Cl)c3)c2)c(Cl)c1=O 1873526614 NOBBPKITOTYWLE-BRJLIKDPSA-N 445.350 5.330 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CCCOc2ccccc2Cl)nnc1SC 1874215007 QXFQVQCSYCWMRG-LFVJCYFKSA-N 442.972 5.112 30 10 IKEE C(=N/n1c(CCc2cccc3ccccc23)nnc1SCc1ccccc1)\c1ccccn1 1874231944 JMQWPXYBRWYCTG-VUTHCHCSSA-N 449.583 5.786 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1cc(Cl)ccc1O 1874249950 PPYADRMKSGKJHE-BUVRLJJBSA-N 442.972 5.117 30 10 IKEE CCCCC1CCC(c2nnc(SCCCO)n2/N=C/c2ccc(F)cc2F)CC1 1874286764 XMFVEDGSOHSGDR-MFKUBSTISA-N 436.572 5.377 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2OC)n1/N=C/c1cccc(Cl)c1 1874288402 CWLGTSFADCPECZ-FSJBWODESA-N 428.945 5.070 30 10 IKEE C=C(C)CSc1nnc(COc2cccc(C)c2C)n1/N=C/c1ccc(OCC)cc1 1874323491 RTARDGMPBDWIQI-AFUMVMLFSA-N 436.581 5.423 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccccn2)cc1C 1874357504 LHVHWIQEXQLBAJ-JFLMPSFJSA-N 431.540 5.194 30 10 IKEE CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874391799 TWTNEUZWJOTZAD-WNIQNGNASA-N 442.544 5.253 30 10 IKEE Cc1cccc(CSc2nnc(-c3cccs3)n2/N=C/c2ccc3c(c2)OCCO3)c1 1874421859 HXCPVYIQDFMLKW-ZVHZXABRSA-N 448.573 5.261 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccccc1O 1874440617 LHNZRSAPSXYPHA-WYMPLXKRSA-N 449.407 6.054 30 10 IKEE FC(F)(F)c1nnc(SCc2ccccc2)n1/N=C/c1c(Cl)cccc1Cl 1874460091 KBVKZFQQRCDCJX-NUGSKGIGSA-N 431.270 5.778 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C(F)(F)F)cc1 1874462516 XPBZGUKWSCEOKE-KTZMUZOWSA-N 449.260 5.917 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874503815 AZUJLVDUMUZTPJ-SSDVNMTOSA-N 433.896 5.106 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCc3ccccc3)nnc2C(C)C)cc1OC 1874513961 ZEMOGFLIHSIANB-PCLIKHOPSA-N 438.597 5.764 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2C2CC2)cc1 1874517207 UWXXCEVZUNPPLL-YZSQISJMSA-N 434.609 6.207 30 10 IKEE Cc1ccc(COc2cccc(/C=N/n3c(S)nnc3Cc3ccc(Cl)cc3)c2)cc1 1874564580 KVDTVCAQEOOQEM-CVKSISIWSA-N 448.979 5.581 30 10 IKEE CCCCOc1ccc(/C=N/n2c(S)nnc2CCCOc2c(C)cccc2C)cc1 1874568123 IDMLPYXHVOUHMD-KOEQRZSOSA-N 438.597 5.256 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(Br)cc2)c1OCc1ccc(F)cc1 1874574346 IFLMBYKMQOCSSC-NTEUORMPSA-N 441.296 6.072 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)NCc2ccccc2)cc1 1874578035 RPMQWFYBDUBSSF-GXDHUFHOSA-N 449.934 5.330 30 10 IKEE O=C(/C=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCO2 1874582776 GZPWJXZFBUEQFP-RMKNXTFCSA-N 427.283 6.197 30 10 IKEE Cc1cccc(COc2ccc(Br)cc2/C=C/C(=O)c2c(C)cc(C)cc2C)c1 1874590184 XHNDCPRBBGOMHK-CSKARUKUSA-N 449.388 7.158 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OCC(=O)Nc1ccc(C)cc1 1874596533 YFZGIENMSYEXOU-WUXMJOGZSA-N 433.479 5.365 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cccc(OCc2cccc(Cl)c2)c1 1874600456 NMHYLIWLYPDDGP-MDZDMXLPSA-N 427.327 6.786 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3ccc(C)cc3)c(OC)c2)cc1 1874606509 RSLZACPVVLXODO-SAPNQHFASA-N 444.571 6.830 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)N(CC)CC)c(Cl)c2)cc1 1874606589 WHWUCJNSVVRGKM-RVDMUPIBSA-N 427.972 5.826 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc1 1874607120 CWEMLCPOTAVXOF-RVDMUPIBSA-N 429.516 5.480 30 10 IKEE COC(=O)COc1c(Br)cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OC 1874624347 YSWPOOYBFVXSNJ-BJMVGYQFSA-N 447.325 5.029 30 10 IKEE C=CCOc1c(Cl)cc(/C=C/C(=O)c2cc(Cl)c(OC)cc2OC)cc1OCC 1874631639 MYBHNOYKUGLTJY-BQYQJAHWSA-N 437.319 5.870 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3ccccc3C)c(OC)c2)c(OC)c1 1874632586 KVFAKKMYWZMUPZ-JLHYYAGUSA-N 448.515 5.505 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OCc3cccc4ccccc34)c(Cl)c2)c(C)c1 1874633969 DVNBNVNSWPTSJI-ACCUITESSA-N 440.970 7.894 30 10 IKEE Cc1ccc(C)c(COc2ccc(/C=C/C(=O)c3cc(Cl)ccc3Cl)cc2Cl)c1 1874637448 AFJLCLODCRNTSQ-WEVVVXLNSA-N 445.773 7.739 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C)cc3C)c2)cc1OC 1874702525 VNGPNSVTHKWSRJ-FMIVXFBMSA-N 430.500 5.365 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)cc3F)c(OC)c2)c1 1875104100 GFNWLQHZJJKMSZ-UXBLZVDNSA-N 438.426 5.026 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)CC1CCCCC1 1875120351 PTMQPRRTMOCWAE-JXMROGBWSA-N 448.893 6.399 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)c(C)c3)c(Cl)c2)cc1 1875129576 JDABBOGKKCSROU-NTUHNPAUSA-N 448.946 6.400 30 10 IKEE Cc1cnc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)c(Cl)c3)cc2Cl)cn1 1875135212 GCOSLQIKDVDBGX-QHHAFSJGSA-N 447.705 5.861 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)CSc3ccccc3)c([N+](=O)[O-])c2)c1 1875140606 OJQKCDOOYIGMAS-ZRDIBKRKSA-N 447.512 5.805 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)CCCOc2ccccc2)cc1 1875143464 AXAQAQYWXKSQJW-DTQAZKPQSA-N 430.500 5.664 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)Cc3cc(C)ccc3C)cc2)c1 1875145733 QDXGYWPCZNTGHD-UKTHLTGXSA-N 430.500 5.365 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)cc1)c1ccc2c(c1)OCO2 1875149815 JKKCHSZYPUNYKJ-TVMUYRNNSA-N 446.886 5.674 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(F)c3)cc2OC)cc1 1875153710 UISVMBUOUOKCJA-KPKJPENVSA-N 434.463 5.521 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)CC(C)C)c(OC)c2)c(C)c1C 1875164404 ISZMQYFZFKUUSL-VQHVLOKHSA-N 430.928 5.822 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)C3CCC3)c(Cl)c2)c(OCC)c1 1875177222 AGHKZHQEKQWIGG-XYOKQWHBSA-N 428.912 5.739 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2OC)cc1 1875178827 DYNZMYBPPCJBLT-MDWZMJQESA-N 430.500 5.365 30 10 IKEE C[C@@H]1C[C@](C#N)([C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCO1 1875634724 SOTZLHSALVAUDO-AOLGGSBGSA-N 443.543 5.587 30 10 IKEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 1891083616 OHOJJOWTLIIOFZ-UHFFFAOYSA-N 447.347 5.437 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C=CC(=O)Cc2cc(Br)ccc2F)cc1 1911931844 LRQWXKZDAXZHCA-UHFFFAOYSA-N 434.305 5.760 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1[C@@H](C)C[C@H](C)CN1C(=O)OC(C)(C)C 1922080606 PMRFBXXAQADEEN-TZYAJKAJSA-N 430.633 5.409 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1scc(Br)c1Br 1922117575 BEVKZZDMDMMXGF-INIZCTEOSA-N 445.220 5.697 30 10 IKEE CC[C@H](NC(=O)OC(C)(C)C)[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1936065357 BIJXRDLDKICBTH-HTAPYJJXSA-N 437.968 5.667 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)[C@@H]1C1CC1 2014664130 HNUKRRMOBOZUCD-CYFREDJKSA-N 433.593 5.238 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@@H](C#N)[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2017953985 FBLXRTYMBADOHW-MJGOQNOKSA-N 429.561 5.356 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)C[C@H]1C1CC1 2018416142 DMVDVSAWUCWNQU-CYFREDJKSA-N 433.593 5.238 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@@]2(C#N)N(C(=O)OC(C)(C)C)C2CCCC2)C1 2038636290 CEEDPLBWTVBEKR-DQEYMECFSA-N 447.620 5.630 30 10 IKEE COc1cc(C=C2SC(=Nc3ccccc3)N(C)C2=O)ccc1OCc1ccccc1 2053622535 CXJNHLANPRLTRL-UHFFFAOYSA-N 430.529 5.508 30 10 IKEE CCCN[C@@]1(C#N)C[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)C[C@@H](C)C1 2055022913 HEWHZCPRPVIFDH-FQLPYIGMSA-N 432.656 5.071 30 10 IKEE C=CC[C@@H](NCCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071348503 XDRVWDVOSWCGPJ-NAKRPHOHSA-N 431.576 5.822 30 10 IKEE CCc1ccc([C@H](n2nc(C(C)(C)C)c(C#N)c2I)C2(C)CC2)cc1 2079116902 VIIBPRZCHLUQEG-SFHVURJKSA-N 447.364 5.609 30 10 IKEE CCCCC#CC[C@@H](NC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2083444484 XGRMNUKJPOBXPQ-HHHXNRCGSA-N 427.588 6.689 30 10 IKEE Cc1sc([C@@H](C#N)C(=O)CSc2ccc(Br)cc2)nc1-c1ccccc1 2084270736 FRYHNTPBYZAYCU-KRWDZBQOSA-N 443.391 5.850 30 10 IKEE Cc1sc([C@H](C#N)C(=O)CSc2ccccc2)nc1-c1ccc(Br)cc1 2084273048 DAZMCAKDKIIYRB-QGZVFWFLSA-N 443.391 5.850 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCC[C@@]23C[C@@H](CO2)[C@H]31 2144302605 IGVNDXWENRCUHM-ULQLWLPVSA-N 433.346 5.042 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)ccc(Br)c1F 2159130866 WXSGSVOUHQMTEK-MAUKXSAKSA-N 445.348 5.075 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](Nc2cc(Br)c(C#N)cc2F)[C@H]2CCCC[C@H]21 2179392024 ZPUHLXMKTKHDHN-JEBQAFNWSA-N 438.341 5.050 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(Nc2ccc(Br)cc2)C[C@@H]1C1CCC1 2194185132 DHWFVZKWUHTAJD-NQIIRXRSSA-N 434.378 5.323 30 10 IKEE C=CCCCC[C@H](NC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2229110009 PFCRYXZIBWNGTJ-OALUTQOASA-N 425.411 5.219 30 10 IKEE CCCCCCCCCCOc1ncc(I)cc1Br 2231015726 KOHBDBPDHRFHFT-UHFFFAOYSA-N 440.163 5.968 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)C[C@H](CCC)NC(=O)OC(C)(C)C 2235717329 JFLOVWSFWJLKGE-MOPGFXCFSA-N 437.422 5.252 30 10 IKEE CC1(C)OB(C2CCN(Cc3c(Br)sc4ccccc34)CC2)OC1(C)C 2239545031 WQOIEQHQFMUAET-UHFFFAOYSA-N 436.224 5.722 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H]1C[C@@H]2C[C@H](C1)CN(C(=O)OC(C)(C)C)C2 2249752652 DQDOZKVDMXVRIA-KEZOAJOQSA-N 428.617 5.021 30 10 IKEE CN(C(=O)OC(C)(C)C)c1cccc(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)c1 2255531313 YZOKWRFXEWVALE-UHFFFAOYSA-N 430.354 5.013 30 10 IKEE CCCCN(C[C@H]1CCCN1C(=O)OC(C)(C)C)c1c(Br)cccc1C#N 2285189389 DTLPPNMVCIKYHN-QGZVFWFLSA-N 436.394 5.327 30 10 IKEE C[C@H](N=C1SC(=C2Sc3ccccc3N2C)C(=O)N1C1CCCCC1)c1ccccc1 2295201851 IBIGNXGUBHLRGR-KRWDZBQOSA-N 449.645 6.423 30 10 IKEE CC(C)COc1ccc(C=C2SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)cc1 2296373977 NTITWBAYXKMOTE-UHFFFAOYSA-N 442.584 6.526 30 10 IKEE Cc1cc(C)c2nc(N3C(=O)C(=O)C(=C(O)c4ccco4)[C@@H]3c3ccccc3)sc2c1 2297062154 RLERMIWFBYDRCK-FQEVSTJZSA-N 430.485 5.132 30 10 IKEE CC(=NNc1cc(C(F)(F)F)nc(-c2ccccc2)n1)c1ccc(Br)cc1 2297708767 NYONEBBHSYCQPP-UHFFFAOYSA-N 435.247 5.761 30 10 IKEE COc1ccccc1C=CC=C1Oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc2C1=O 2314437248 HDOVEDWCWCGTCC-UHFFFAOYSA-N 429.428 5.355 30 10 IKEE O=C(C=Cc1ccc(-c2cccc(Cl)c2)o1)c1cccc(NC(=O)c2cccs2)c1 2314523183 LPXNURYGKGHKIZ-UHFFFAOYSA-N 433.916 6.810 30 10 IKEE CCOc1ccc(C=C2SC(=Nc3cccnc3Cl)N(c3ccccc3)C2=O)cc1 2314540354 OJGLKMDOKKCEPO-UHFFFAOYSA-N 435.936 5.942 30 10 IKEE CCCN[C@@](C#N)(CC1CCC1)CN(CCN(C)Cc1ccccc1)Cc1ccccc1 2318403299 WWGCUAGLHMEABL-MUUNZHRXSA-N 432.656 5.073 30 10 IKEE COC(=O)c1ccc(C=C2Oc3cc(OCC=Cc4ccccc4)cc(C)c3C2=O)cc1 2321817788 JGGYKQUKHGPYJK-UHFFFAOYSA-N 426.468 5.490 30 10 IKEE O=C1C(=Cc2ccccc2OC(F)F)Oc2c1ccc1c2CN(C2CCCCC2)CO1 2322016350 BOOCJJYTEMDEJH-UHFFFAOYSA-N 427.447 5.389 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(C(C)(C)C)cc1)C3=O)CN(C[C@H]1CCCO1)CO2 2322307736 VGRUKLMBWOXHOD-OAQYLSRUSA-N 433.548 5.240 30 10 IKEE Cc1ccc(COc2cccc(C=NNc3cnn(-c4ccccc4)c(=O)c3Cl)c2)cc1 2322593489 UIAJYPBUSSLINU-UHFFFAOYSA-N 444.922 5.219 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OC(=O)c4ccc(C(C)(C)C)cc4)c3C)C2=O)c1 2322736465 GAXVMVQMEOOHDP-UHFFFAOYSA-N 442.511 6.137 30 10 IKEE Cc1cc(OC(=O)C=Cc2ccc(F)cc2)cc2c1C(=O)C(=CC=Cc1ccccc1)O2 2323047463 UKVKIRBRFIAUBL-UHFFFAOYSA-N 426.443 5.925 30 10 IKEE CCc1ccccc1NC(=O)COc1cc(C=CC(=O)c2ccccc2Cl)ccc1OC 2323087688 RMFKUDUVVQLPCY-UHFFFAOYSA-N 449.934 5.825 30 10 IKEE Cc1c(OC(=O)c2ccc(F)c(F)c2F)ccc2c1OC(=Cc1ccccc1Cl)C2=O 2323127321 QHFRVTVGFDIWNG-UHFFFAOYSA-N 444.792 5.901 30 10 IKEE CCOc1ccc(CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(C)c2)C3=O)cc1 2323374407 LUHCHXVPBVQDBF-UHFFFAOYSA-N 428.484 5.466 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2Cl)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 2323374856 REONFWZUJTWXFP-UHFFFAOYSA-N 438.823 5.632 30 10 IKEE COc1ccc(C=Nn2c(S)nnc2C2CCCCC2)cc1OCc1ccc(C)cc1 2323481735 GXIMUWASOPUWBO-UHFFFAOYSA-N 436.581 5.393 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1)Nc1nccs1 2323511674 CVWDHDUCWPRKJU-UHFFFAOYSA-N 433.316 5.364 30 10 IKEE CC(C)(C)c1cc(C=Nn2c(S)nnc2Cc2ccc(F)cc2)cc(C(C)(C)C)c1O 2323541044 SPWRVYXILFNBFV-UHFFFAOYSA-N 440.588 5.480 30 10 IKEE Cc1c(OC(=O)C=Cc2ccccc2)ccc2c1OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2323746080 SBYJGSFPSRBAKU-UHFFFAOYSA-N 427.412 5.138 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OCc1cccc2ccccc12 2324181862 GIUULEOPMPWPCD-UHFFFAOYSA-N 442.486 6.471 30 10 IKEE C[C@H](Oc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O)C(=O)Nc1ccccc1Cl 2324388887 COLQAZFHIOWGJP-KRWDZBQOSA-N 445.902 5.918 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(C(C)(C)C)cc3)n2)cc1C 2324825641 YCQVDCAFEVYRJR-QFIPXVFZSA-N 444.600 6.623 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1cc(C)c2c(c1)OC(=Cc1cccc(F)c1)C2=O 2325092847 YZBLUSBRGKLPQH-OAQYLSRUSA-N 440.511 6.031 30 10 IKEE CCn1cc(C=C2Oc3cc(OCc4ccc(C(=O)OC)o4)ccc3C2=O)c2ccccc21 2325377964 UXRBXECIBAKWOO-UHFFFAOYSA-N 443.455 5.236 30 10 IKEE Oc1cccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccc(F)cc2)c1 2325441563 CFZIWWDITJXLJF-UHFFFAOYSA-N 432.524 5.083 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccccc1C(=O)O 2325532614 QPVILIKWCMHTEF-UHFFFAOYSA-N 428.945 5.147 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2)cc1OC(=O)c1ccc(C(F)(F)F)cc1 2325731575 ITXLKQYSTYSVNK-UHFFFAOYSA-N 426.390 5.829 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2OC)cc1OC(=O)c1ccc(N(C)C)cc1 2325742709 HEFQPJUGOLDMAC-UHFFFAOYSA-N 445.515 5.194 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)[C@H](C)c2ccccc2)c1 2325764101 PZVCBLYXGUCMAX-GOSISDBHSA-N 434.919 6.262 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccccc3F)c2)cc1C 2325770063 VHCSMRRPFLGYOP-UHFFFAOYSA-N 448.490 5.504 30 10 IKEE CCSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1sccc1C 2325908819 DWZNUTYJYPOVMM-UHFFFAOYSA-N 427.382 5.528 30 10 IKEE C=CCSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1ccccc1OC 2325913550 JBKJBOJWIZJDCC-UHFFFAOYSA-N 449.363 5.333 30 10 IKEE Cc1nnc(SCc2ccccc2)n1N=Cc1ccc(OC(=O)c2ccc(F)cc2)cc1 2326211787 GIUAVRGIOQJBFD-UHFFFAOYSA-N 446.507 5.119 30 10 IKEE C=CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1cc(Cl)ccc1O 2326934673 WMZIGEDOWQBARF-UHFFFAOYSA-N 443.016 5.556 30 10 IKEE C=C(C)CSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1ccc(C(C)C)cc1 2327007272 WGLUTEWCDQIOCY-UHFFFAOYSA-N 448.636 6.272 30 10 IKEE Clc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2ccccn2)cc1 2327557837 YAFCJVVKNUOCFF-UHFFFAOYSA-N 435.940 5.080 30 10 IKEE COc1cccc(C=Nn2c(Cc3ccc(C)c(C)c3)nnc2SCc2ccccc2)c1 2329421971 HAOVAYOFXNZIQC-UHFFFAOYSA-N 442.588 5.669 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(OC)c1OC(=O)c1ccccn1 2330657803 VVLPWALJHYYQLQ-UHFFFAOYSA-N 439.467 5.367 30 10 IKEE Cc1ccsc1C(=O)Oc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1Cl 2330659222 LIUMLZIKHFCCSJ-UHFFFAOYSA-N 432.928 6.978 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2cccc3ccccc23)nnc1-c1ccccc1 2330682996 ZAUWVLBGSMSZRK-UHFFFAOYSA-N 434.568 6.581 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)CC1CCCCC1 2330705209 ZUOIIMFDPCLCJL-UHFFFAOYSA-N 432.560 6.346 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)c(C)c3)c(OC)c2)cc1 2330769982 NDONLUULXUQCGL-UHFFFAOYSA-N 428.528 5.919 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3F)cc2)CC1 2331084529 WPPMYXHHTRAANQ-UHFFFAOYSA-N 426.503 6.763 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SCCC)nnc2C(F)(F)F)cc1OC 2331146926 XHDDZJSYYAYDQQ-UHFFFAOYSA-N 430.496 5.259 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2-c2ccco2)c(OC)c1 2331166029 GVCZDFAJRVPZBZ-UHFFFAOYSA-N 434.521 5.038 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)c(C)c1 2331216219 DDCHAVRVSGOYIL-UHFFFAOYSA-N 425.311 6.726 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1N=Cc1ccccc1Cl 2331327573 UPEDFXCRYLYUGO-UHFFFAOYSA-N 441.988 5.196 30 10 IKEE C=C(C)CSc1nnc(C(C)(C)C)n1N=Cc1ccc(N(CC)Cc2ccccc2)cc1 2331393894 FUZRWOZWCNKMFN-UHFFFAOYSA-N 447.652 6.153 30 10 IKEE CCOc1ccc(C=Nn2c(CC(C)C)nnc2SCc2ccccc2F)cc1OC 2331453827 PPWAXIQFESXURG-UHFFFAOYSA-N 442.560 5.198 30 10 IKEE COCCC(=O)Oc1ccc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1Cl 2331808450 TZOHVGLSPOPNQE-UHFFFAOYSA-N 443.710 5.493 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)c1ccccn1 2331864121 HGVMCGXVVCJTDX-UHFFFAOYSA-N 428.271 5.512 30 10 IKEE CCOc1cc(C=NNc2oc(-c3ccc(C)cc3)nc2C(=O)OC)ccc1OC(C)C 2331937654 NHBJTJSTWUOVQK-UHFFFAOYSA-N 437.496 5.069 30 10 IKEE CC(C)(C)OC(=O)Nc1nc2cc(Nc3ccc(Br)cc3C#N)ccc2s1 2382208899 LVCWEBUAGMBXCM-UHFFFAOYSA-N 445.342 6.021 30 10 IKEE CCCN(CCC)C[C@H](O)Cn1cc(/C=C/C(=O)c2ccc(OCC)cc2)c2ccccc21 8611832 HCFKZLXAHFGJTC-LXGWOEDASA-N 448.607 5.419 30 10 IKEE O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccc3c(c1)OCO3)Nc1ccc3ccccc3c12 9601022 YDSDGVVXZWVWDR-JRPXNJEYSA-N 445.518 6.636 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(C(C)C)cc1)N2 14462926 CQBVXCZRZFFYER-XFAFFCHDSA-N 448.632 5.999 30 10 IKEE Cc1ccc(/N=C2\S[C@@H](CC(=O)c3ccc(C)cc3)C(=O)N2c2ccc(C)cc2)cc1 15055101 DDCPFLOQKZCUJM-QWEPBSKHSA-N 428.557 6.021 30 10 IKEE Cc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C(C)(C)C)cc2)C3)c1 20882294 QFEJDIRQXATJGI-ZTOMLWHTSA-N 436.599 7.272 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C)cc2)cc1 21222295 FJBCKQDFPNVSCH-ZTOMLWHTSA-N 438.571 6.763 30 10 IKEE Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1cccc(C#Cc2ccccn2)c1 32963731 PAWVEUFRPQGGLX-UHFFFAOYSA-N 427.504 5.229 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2Cl)Oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc21 38321026 NYBUUKZGCHHNDT-NKVSQWTQSA-N 442.254 6.097 30 10 IKEE COc1ccc(CC(=O)Oc2cc(C)c3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 41358252 UOVOXYHNUNKAPJ-FYPXMSKISA-N 426.468 5.324 30 10 IKEE COc1cccc(/C=C2\Oc3c(cc4c(c3C)OCN(CCCc3ccccc3)C4)C2=O)c1 41587512 ILDJIRFSILIYAC-MYYYXRDXSA-N 441.527 5.405 30 10 IKEE C=C(C)COc1cccc(NC(=O)CNc2cccc(C(=O)N[C@@H](C)c3ccccc3)c2)c1 66096880 XANBYLMBECVAMQ-FQEVSTJZSA-N 443.547 5.183 30 10 IKEE CCCCCCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(F)cc2)c1 98021552 HQEDDAJEWFFFQV-XMMPIXPASA-N 428.573 6.293 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)COc1ccccc1C(C)(C)C 100207750 AKQNNIIKWRROTM-UHFFFAOYSA-N 431.705 7.960 30 10 IKEE CCCCCCCOc1c(Cl)cc(C(=O)Nc2ccc(C)c(Cl)c2)cc1Cl 101138399 MALMGTPUWQSLFH-UHFFFAOYSA-N 428.787 7.557 30 10 IKEE Cc1cc(C)c(S(=O)(=O)N/N=C/c2cc(Cl)c(OC(C)C)c(Cl)c2)c(C)c1 169904518 HWSBZYVOKADTDP-LSHDLFTRSA-N 429.369 5.018 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)C)cc2)[C@H]1c1cccc(C)c1 169967444 MTLVRJPIDBWYHU-VWLOTQADSA-N 441.527 5.910 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccc(C)cc2)c1 170037097 HFPHIJUNHFRJCI-AREMUKBSSA-N 441.527 5.496 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2ccccc2)ccc1F 170051971 NCMAGWGBMWDDRY-JOCHJYFZSA-N 435.882 5.879 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccc(F)cc2)cc1C 170063129 BZFIWVQOWFDWHA-JOCHJYFZSA-N 435.882 5.879 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(N(C)C)cc1 170129554 LIWJGXJUFKYZMG-NRFANRHFSA-N 426.944 5.175 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2)[C@@H]1c1ccccc1OC(C)C 170150907 CSOOXUGPHIOWTO-QHCPKHFHSA-N 437.536 5.251 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2cccs2)cc1C 170156379 MKLZUGANQXTAHA-HSZRJFAPSA-N 447.556 5.773 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccs2)cc1 170163898 GQRRHCULPZTIJO-QFIPXVFZSA-N 439.577 5.694 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccccc2)c(C)c1 170229014 DULADCBCYNLTFW-JOCHJYFZSA-N 435.426 5.065 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@@H]1c1ccccc1F 170252538 VRAJTXAWKUIKAO-QFIPXVFZSA-N 425.500 5.239 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)C[C@H](C)O3)=C(O)C(=O)N1Cc1cccs1 170270013 OJIOHFOWSXGQCO-HJPURHCSSA-N 445.540 5.158 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCCOC(C)C)o1 170310639 PGZKEKWZUBXSGN-QHCPKHFHSA-N 433.504 5.135 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1sccc1C 170318792 QNZSNNCJELFTLZ-FQEVSTJZSA-N 425.594 6.041 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(C)cc2C)cc1 170454391 WLSQIKPUSDDJKF-QHCPKHFHSA-N 434.580 5.665 30 10 IKEE COc1cc(/C=C\C(=O)Nc2ccc(C)cc2OCc2ccccc2)ccc1OCC#N 207299226 RFRGRTZTGXIPCJ-RAXLEYEMSA-N 428.488 5.137 30 10 IKEE Cc1ccc(OCCOc2ccccc2C=Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 252606608 GTTLREYZOWNBHV-UHFFFAOYSA-N 441.531 5.001 30 10 IKEE O=C(CSc1ccc(C=Nc2ccc3c(c2)oc2ccccc23)o1)Nc1ccccc1 252629229 UBRRRJDLUZYDGE-UHFFFAOYSA-N 426.497 6.660 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1c(F)ccc(Br)c1F)NCCC 407403310 JTLRVISHGCSUSL-DLBZAZTESA-N 447.364 5.107 30 10 IKEE Cc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 526522914 UDSOYJQAVLDRNS-QFIPXVFZSA-N 435.310 6.231 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2c[nH]c3ccccc23)c1 526606175 IBQZHIANXCYIGP-RUZDIDTESA-N 435.483 5.495 30 10 IKEE CCCOc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccccc2)cc1 526800570 UCKGDXPMWTZAMR-DIBXZPPDSA-N 442.588 5.832 30 10 IKEE Cc1ccc(COc2ccccc2/C=N\n2c(C)nnc2SCc2cccc(C)c2)cc1 526807731 FLDHAJBSTHSIRD-YUMHPJSZSA-N 442.588 5.957 30 10 IKEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1c(F)cccc1Cl 526815098 UCUGWYWZRJLERZ-UYOCIXKTSA-N 429.735 5.860 30 10 IKEE CCOc1c(Cl)cc(/C=N\n2cnnc2SCc2ccccc2Cl)cc1Cl 526815854 TUXSGOSXJRFUAK-AQHIEDMUSA-N 441.771 5.812 30 10 IKEE CCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccccc2Cl)c(OCC)c1 526816365 DTKSDKXCIHCKNB-OYKKKHCWSA-N 444.988 5.466 30 10 IKEE CCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1ccc(OCC)cc1OCC 526821895 AEHXOYQJKXJZJX-QQXSKIMKSA-N 449.580 5.074 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2ccc(F)c(Br)c2)c1 698477234 OVJZOZIKYUYYOV-GOSISDBHSA-N 435.293 5.603 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CC[C@@H]2CCCC[C@H]2C1 723615749 SETIVPJIYJDCCW-PNLZDCPESA-N 433.390 6.443 30 10 IKEE C#Cc1cccc(NC(=S)/C(=C(/O)c2cccc(C(F)(F)F)c2)[n+]2ccc(C)cc2)c1 783694382 KPYOROAIVWWCJW-UHFFFAOYSA-O 439.482 5.606 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1 920143458 PXMNVBCWCBEHLS-LRDDRELGSA-N 447.343 5.769 30 10 IKEE CCN(CC)C(=O)[C@@H]1CCCN(c2ccc(C(F)(F)F)cc2N=Cc2ccccc2O)C1 1084516592 GBJVJBFHWJWQRC-GOSISDBHSA-N 447.501 5.246 30 10 IKEE COc1ccc(/C(C)=C2\SC(=Nc3cccnc3Cl)N(C3CCCCC3)C2=O)cc1 1772733200 LLSDHUIQYLUZRT-OIYMOPNQSA-N 441.984 6.070 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=Nc1nc(-c2ccccc2)cs1 1772734289 DNUUSLUHADCWDF-GNMKNICSSA-N 437.977 6.254 30 10 IKEE C=CCN1C(=O)/C(=C\c2c(Cl)cccc2Cl)SC1=Nc1ccc(O)cc1C(=O)O 1772760862 DNAYTPNSAWSYDP-ZZYMSUEGSA-N 449.315 5.187 30 10 IKEE C=CCN1C(=O)/C(=C/c2cccc3ccccc23)SC1=Nc1ccc(O)cc1C(=O)O 1772760884 FNOOBQCAAXRPIN-RNUJJHFSSA-N 430.485 5.034 30 10 IKEE CCCCCCCCCCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 1859455482 BSWKIQIZABXFBH-UHFFFAOYSA-N 443.053 5.385 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CC)NC(=O)c1ccc(OCCCC)c(OCC)c1 1861749635 RBNXTCJMPPLEDF-OAQYLSRUSA-N 434.621 5.249 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccccc1 1862464515 AEBNZOMLRBVAQG-LJQANCHMSA-N 428.326 5.074 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccc3ccccc23)cc1 1862480981 UBWPXLVJGIXUMQ-XMMPIXPASA-N 439.536 5.988 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccccc2Cl)c1 1862490785 DJUVITIQKLZYMC-ODOSVJCGSA-N 437.967 6.114 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccccc1Br 1862513105 YLFALPCMXGOZNM-BFUOFWGJSA-N 446.316 5.273 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccccc2C)cc1 1862514622 KRCSJVNKULEJDT-CYSDGLOUSA-N 447.575 5.941 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccccc1C 1862524111 XJZJRGQPCWNQJI-LIRRHRJNSA-N 428.326 5.134 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccccc1C 1862533997 PMQXWBZPTXBMIA-DHLKQENFSA-N 433.592 6.495 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2ccccc2F)cc1 1862590221 DMIPXJJSKVWJSN-VOIUYBSRSA-N 445.490 5.433 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccccc2F)cc1 1862615994 NXVMGDAVUBECAO-DEOSSOPVSA-N 449.566 6.424 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1c(F)cccc1Cl 1862619878 FIHPAZWLENAPCK-FQEVSTJZSA-N 429.919 5.763 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc2ccccc12 1862653762 VHLPSGVQAZMGLB-DWXRJYCRSA-N 435.523 6.370 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862690807 FNTGERJABJKDHJ-OAEOJWKDSA-N 444.531 5.334 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(C(F)(F)F)cc2)c1 1862705822 HTROYYJNZBQFFK-FQEVSTJZSA-N 445.437 5.235 30 10 IKEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@H]2c2cccc(C)c2)cc1 1862733338 RHKWATYUXHPELY-DEOSSOPVSA-N 435.564 5.942 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCCCCCCC)cc2)[C@H]1c1cccc(O)c1 1862733369 RTKBTGWQBAUZFX-XMMPIXPASA-N 449.547 5.506 30 10 IKEE CCCOc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(C3CCCCCC3)C2=O)cc1 1863343486 ATPAOMSLUWLVHA-UHFFFAOYSA-N 443.547 5.262 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2)=C(c2ccc(OC)cc2OC)C1=O 1863412279 OJCVWPNAWFXIQR-UHFFFAOYSA-N 436.552 5.256 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cccc(OC)c2)=C(c2cccs2)C1=O 1863468974 NCRJQGAINSUKOM-UHFFFAOYSA-N 440.609 6.089 30 10 IKEE C=CCNC1=C(c2ccc(OCc3ccccc3)cc2)C(=O)N([C@@H](CC)CCCCC)C1=O 1863706524 ZKANPWGQOPVMKF-QHCPKHFHSA-N 446.591 5.480 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCCC)=C(c2ccc(F)c(C)c2)C1=O 1863790906 UITVFLMUMNGTKO-UHFFFAOYSA-N 430.608 6.135 30 10 IKEE N#Cc1c(NC(=O)Cc2c[nH]c3cccc(OCc4ccccc4)c23)sc2c1CCC2 1866264565 DWJJLRDCWYMTMB-UHFFFAOYSA-N 427.529 5.350 30 10 IKEE N#Cc1c(NC(=O)c2cc(=O)c3cc(Cc4ccccc4)ccc3[nH]2)sc2c1CCCC2 1866551249 QGOYHBWVOUKTJS-UHFFFAOYSA-N 439.540 5.183 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3cc(OC)ccc3[C@H]2C)nc(-c2ccccc2C)n1 1869146324 RBRPDUTWLFSIOE-OAQYLSRUSA-N 440.591 5.763 30 10 IKEE CC(C)=CCOc1cn(CC(C)C)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870164913 YCZKEBWQAHWHSC-UHFFFAOYSA-N 425.598 5.334 30 10 IKEE CCCCCCCOc1cn(Cc2ccco2)c(CSc2ccc(Cl)cc2)cc1=O 1870251389 HGLHDMDIRWFQOK-UHFFFAOYSA-N 446.012 6.785 30 10 IKEE C=CCn1cc(OCc2ccccc2F)c(=O)cc1CNc1cccc(Br)c1 1871244579 LEONWAROFOPWMW-UHFFFAOYSA-N 443.316 5.127 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1cn(C)c4ccccc14)O3)CN(CCCOC(C)C)CO2 1871346211 OWRAGIWZGSNNAG-CFRMEGHHSA-N 446.547 5.070 30 10 IKEE Cc1ccc(CCN2COc3ccc4c(c3C2)O/C(=C\c2ccc(Cl)cc2)C4=O)cc1 1871348048 NMUHUXSDVJGEOO-OYKKKHCWSA-N 431.919 5.659 30 10 IKEE Cc1cc(OC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc2c1C(=O)/C(=C/c1ccccc1)O2 1871384953 RQFICXFIKDVCCT-HMAPJEAMSA-N 448.902 6.028 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3cc(OC(=O)/C=C/c4ccccc4)cc(C)c3C2=O)c1 1871385260 JOFNHEWAOYISTF-USQUCKOTSA-N 442.467 5.247 30 10 IKEE Cc1cc(O)c(CN2CCC[C@@H](C)C2)c2c1C(=O)/C(=C/c1ccc(Cl)cc1Cl)O2 1871396336 AOPARNUOJKWUHR-HHGUGQKFSA-N 432.347 5.856 30 10 IKEE Cc1cccc(OCCOc2ccc3c(c2C)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)c1 1871406052 GOQLEGYOHOCHHU-ITYLOYPMSA-N 442.555 6.675 30 10 IKEE Cc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 1871408214 BFZLNRIGIUNWLD-JRFJDJFQSA-N 425.484 5.573 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OCc3ccc(C(=O)OC(C)C)cc3)ccc2C1=O 1871413871 CSRNPTQRIXGQLZ-QFEZKATASA-N 428.484 5.755 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)c(C)c1 1871418834 PXWRHWKKALFTMZ-QFEZKATASA-N 442.515 5.003 30 10 IKEE CCCC[C@H](Oc1ccc2c(c1C)O/C(=C\c1c(Cl)cccc1Cl)C2=O)C(=O)O 1871422747 BWJRVTDPHMVFHJ-FUDBJYBQSA-N 435.303 5.940 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCc4ccc(C(=O)OC(C)C)o4)ccc3C2=O)cc1 1871439053 FRURUNDSXRFHEN-CFRMEGHHSA-N 448.471 5.439 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O)Nc1ccc(F)c(F)c1 1871441121 YWKCFICWOSXBAI-NKVSQWTQSA-N 441.817 5.252 30 10 IKEE Cc1c(OCC(=O)Nc2ccccc2Cl)ccc2c1O/C(=C\c1cccc(F)c1)C2=O 1871455250 HXWCTQMYMQHFTQ-MTJSOVHGSA-N 437.854 5.421 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccccc1C(C)C)c1ccccc1)S(=O)(=O)CCCC 1872455572 CWDCFBQHSUQABT-DEOSSOPVSA-N 442.625 5.498 30 10 IKEE CCOc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1 1872786375 IJDGKTZPORJSDM-LJQANCHMSA-N 440.952 5.598 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1Cl 1872789730 SKYDLKYBCJDMBT-CYBMUJFWSA-N 448.287 5.524 30 10 IKEE C=CCc1ccccc1OCc1cccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1 1872833779 AEEJIADDSHNORB-UHFFFAOYSA-N 449.550 6.825 30 10 IKEE C=CCc1ccccc1OCc1cccc(C(=O)Nc2ccccc2Oc2ccccc2)c1 1872834307 TWMLJWRBXNWYOC-UHFFFAOYSA-N 435.523 7.039 30 10 IKEE CCCCCCCCCCNC1=C(c2cccc(OC)c2)C(=O)N(Cc2cccnc2)C1=O 1873043780 JOVODTYBLIQRNC-UHFFFAOYSA-N 449.595 5.101 30 10 IKEE Cc1cc(C)c(C2=C(Nc3cccc(C#N)c3)C(=O)N([C@@H](C)c3ccccc3)C2=O)c(C)c1 1873329593 WKKHBLWVRCUOSP-FQEVSTJZSA-N 435.527 5.437 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(C)cc1C)n2CCC 1873619576 IJSKJLGFYJBUMU-UHFFFAOYSA-N 435.616 6.483 30 10 IKEE CCCOc1cccc(/C=N/n2c(CCCOc3ccc(C)cc3)nnc2SCC)c1 1874252451 NBVORTSNVCYIQC-XIEYBQDHSA-N 438.597 5.381 30 10 IKEE C=C(C)CSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1cccc(Cl)c1 1874255369 XVUCBVPKLXRXBM-BRJLIKDPSA-N 441.000 5.986 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccncc1 1874361528 OHQJNYOGEGXRBA-JVWAILMASA-N 431.540 5.080 30 10 IKEE Cc1cccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccc(Cl)cc2)c1 1874406452 JVYQVXWKUWCSIY-WGOQTCKBSA-N 439.028 6.537 30 10 IKEE Fc1cccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccc(Cl)cc2)c1 1874406764 SQWBHYXGHFLHDI-CVKSISIWSA-N 442.991 6.368 30 10 IKEE Fc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2ccc(Cl)cc2)cc1 1874416189 DBRRZQZJOZGBIN-CVKSISIWSA-N 436.943 5.836 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3)n2/N=C/c2ccc(F)cc2F)c1 1874416701 DDQOGJYPPYRHNV-RWPZCVJISA-N 448.542 5.938 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccccc1Cl 1874438950 CGZAKCVZBYTUFW-YDZHTSKRSA-N 443.960 5.603 30 10 IKEE Cc1ccc(CSc2nnc(CC(C)C)n2/N=C/c2c(Cl)cccc2Cl)cc1 1874486485 UMINNYXFXRYCMH-WYMPLXKRSA-N 433.408 6.266 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874487062 XROIMYUZAFJCSO-SSDVNMTOSA-N 445.932 5.017 30 10 IKEE CC(C)Cc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccccc1F 1874491036 WMYDZTFZBLVQHM-BHGWPJFGSA-N 437.371 6.097 30 10 IKEE C(=N/n1c(SCc2cccc3ccccc23)nnc1C1CCC1)\c1c[nH]c2ccccc12 1874496354 HWMOKZRWRMJNGL-LQKURTRISA-N 437.572 6.355 30 10 IKEE COCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1c[nH]c2ccccc12 1874506041 LGBJLJJJIUGSRE-YSURURNPSA-N 446.363 5.387 30 10 IKEE CCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874522061 ZOMJFZCWMYEBCW-WPWMEQJKSA-N 442.588 5.902 30 10 IKEE CCCOc1c(/C=N/n2c(CC)nnc2SCc2cccc(Cl)c2)cccc1OC 1874527949 LXMNSBVCRXJOCK-ZVHZXABRSA-N 444.988 5.466 30 10 IKEE Cc1ccc(COc2ccc(/C=N/n3cnnc3SCc3cccc(Cl)c3)cc2)cc1 1874540101 HYXANHIMIXLFPK-MZJWZYIUSA-N 448.979 5.993 30 10 IKEE CCCCC1CCC(c2nnc(S)n2/N=C/c2cc(Br)ccc2O)CC1 1874563529 HLVNVSWXUQPQMI-CIAFOILYSA-N 437.407 5.381 30 10 IKEE O=C(/C=C/c1ccccc1OCc1c(F)cccc1Cl)c1ccc(-c2ccccc2)cc1 1874570937 PBAQCUJYGYRWKM-ISLYRVAYSA-N 442.917 7.621 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccccc2C)cc1 1874579668 ASKSZKJLPBCSIJ-SAPNQHFASA-N 429.516 5.697 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccc(CC)cc2)cc1 1874579894 NMLGTTNDHFLLTD-QGOAFFKASA-N 443.543 5.951 30 10 IKEE CCCOC(=O)COc1ccc(Br)cc1/C=C/C(=O)c1ccc(C)c(C)c1 1874588503 PWCOQMFBCHREOO-VQHVLOKHSA-N 431.326 5.294 30 10 IKEE C=C(C)COc1ccc(Br)cc1/C=C/C(=O)c1cc(C)c(Cl)cc1OC 1874589361 IOBLKMFVGPCDER-FNORWQNLSA-N 435.745 6.271 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2ccccc2Cl)c(OC)c1 1874589649 WXLVPOBXKDOODA-SDNWHVSQSA-N 438.907 5.841 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccccc2C)cc1C 1874590786 IRAHMMJKMFWGAE-BUHFOSPRSA-N 429.516 5.534 30 10 IKEE Cc1ccc(COc2ccc(Cl)cc2/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1 1874590874 WSAUTQWYQMKAKE-SDNWHVSQSA-N 432.991 7.729 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1OCc1ccccc1C 1874599850 HFTKFZQISWZYLR-NTCAYCPXSA-N 428.572 7.085 30 10 IKEE CCc1ccc(NC(=O)COc2cccc(/C=C/C(=O)c3cc(C)c(OC)cc3C)c2)cc1 1874601084 SBQVYGUMTLIELU-SDNWHVSQSA-N 443.543 5.788 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc4ccccc4c3)cc2)cc1 1874602255 BXVRCHNSYRJCJW-WOJGMQOQSA-N 435.523 6.316 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(CC)cc2)cc1Cl 1874604468 OCBMTKFAUXMFOP-UKTHLTGXSA-N 427.972 5.826 30 10 IKEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1Br 1874612372 QUNLEENNFLREJB-SOFGYWHQSA-N 437.717 5.331 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1F 1874621669 NYQNVQDZOXYMRP-RUDMXATFSA-N 431.290 6.616 30 10 IKEE Cc1ccc(COc2ccc(/C=C/C(=O)c3cc(C(C)(C)C)ccc3C)cc2[N+](=O)[O-])cc1 1874635230 IIORARVTJMXRJV-SDNWHVSQSA-N 443.543 6.984 30 10 IKEE Cn1c(C(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)c2)cc2ccccc21 1874693705 RUKLXGCZHJCKDI-DTQAZKPQSA-N 435.523 6.172 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1OC(=O)Cc1ccc(C)cc1 1874706953 IAFAHBVWMBYEIR-JQIJEIRASA-N 436.507 6.201 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C(C)C)cc3)c2)c1 1874709337 BJMZRJMKISDKAE-SFQUDFHCSA-N 442.555 6.779 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3cc(C)ccc3C)c2)c(C)c1C 1874712345 UBDHCYKKYANKOA-ACCUITESSA-N 428.528 5.973 30 10 IKEE Cc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3cc(C(C)(C)C)ccc3C)c2)cc1C 1874715467 AWZVKENCBFLUDX-FYWRMAATSA-N 440.583 6.954 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccccc2OC)CSc2nnc(CC(C)C)n21 1874891629 HYMHCRMEBKRSRT-FQEVSTJZSA-N 444.645 5.547 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3ccc(C)cc3)cc2)cc1 1875112371 DZJLWEXNVWOVBH-GIJQJNRQSA-N 430.500 5.664 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 1875119895 RZUAVIMGSFLFQC-ACCUITESSA-N 447.443 5.117 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)c1cccs1 1875140591 NUHNPXGFOKHUPW-MDZDMXLPSA-N 440.948 6.532 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc4ccccc34)cc2Cl)c1 1875153970 HUWQDQZWIBEENB-WYMLVPIESA-N 442.898 6.617 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1ccc(N(C)C)cc1 1875156786 IBFUDUATKSKDSN-OMCISZLKSA-N 443.543 6.000 30 10 IKEE CSCCCC(=O)Oc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1Cl 1875169077 IEBDWCJVCHXMSE-CSKARUKUSA-N 430.997 6.518 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)ccc1OC(=O)[C@H]1CCCO1 1875192614 UIOVCPLTORZKLX-BQJUAITNSA-N 446.499 5.228 30 10 IKEE C=CCC1([C@H](NCC)c2ccc(F)cc2Br)CN(C(=O)OC(C)(C)C)C1 1898133552 QHPRCRSRIUXVBQ-QGZVFWFLSA-N 427.358 5.052 30 10 IKEE C=C(COCc1ccccc1)C(=O)[C@@H](O)c1ccc(-c2cccc(Br)c2)s1 1922101819 ZKXGLOOLEFSBMF-QFIPXVFZSA-N 443.362 5.553 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](CNC(=O)OC(C)(C)C)C1CCCC1 1922125502 NJPAZCQEMCNQHV-DNQXCXABSA-N 430.633 5.459 30 10 IKEE C=CCC1(NCc2ccccc2NC(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 1924533560 QRFKUTWKYYPPNK-UHFFFAOYSA-N 445.604 5.469 30 10 IKEE CC(C)(C)OC(=O)N(C1CC1)[C@@H](C#N)c1cc(Br)ccc1Br 1927789647 GMKRVRFIJGKALZ-AWEZNQCLSA-N 430.140 5.176 30 10 IKEE CC[C@](C#N)([C@@H](C)NC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)c1ccc(OC)cc1 1944154349 UYSVQXXJJWQPJF-MWTRTKDXSA-N 433.549 5.022 30 10 IKEE C=CC1(C[C@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)CCC1 2002626743 AVXIZQRCBAYKAC-PMVMPFDFSA-N 430.633 5.600 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@](C#N)(N(C(=O)OC(C)(C)C)C3CCCCCC3)[C@H]2C1 2032050242 GFWIOWWWEFUMGL-JVFUWBCBSA-N 447.620 5.486 30 10 IKEE CCN[C@]1(C#N)C[C@H](CC)C[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)C1 2055024753 BDIMGQIMPMCLKS-RYRVMRHHSA-N 432.656 5.071 30 10 IKEE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)[C@@H]2C[C@H](C(C)(C)C)CC[C@@H]2C#N)C1 2055651677 UZMJORCYUXFDNZ-MQSCRBSSSA-N 441.616 5.394 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NC)c2c(C)sc(C)c2Br)C1 2063051958 MMGBGHHSYOXLCF-INIZCTEOSA-N 429.424 5.249 30 10 IKEE C=CCCN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](Cc1ccccc1)C(=O)O 2070816453 IFUBECCVSRJCIZ-SANMLTNESA-N 441.527 5.510 30 10 IKEE Cc1ccc([C@H](C2CCC2)n2nc(C(F)(F)F)c(C#N)c2I)cc1 2079041860 ZYRMERBMJCZQIK-AWEZNQCLSA-N 445.226 5.076 30 10 IKEE Cc1ccc([C@H](n2nc(C3CCC3)c(C#N)c2I)C2(C)CC2)cc1C 2079130526 DOHIRVMWUROFEM-IBGZPJMESA-N 445.348 5.633 30 10 IKEE CC(C)c1nn(Cc2ccc(C(F)(F)F)c(F)c2)c(Br)c1C(F)(F)F 2079803905 XFSHJTOMQXPDIF-UHFFFAOYSA-N 433.165 5.994 30 10 IKEE Cc1cc(C)c([C@@H](C2CCC2)n2nc(C(F)F)c(C=NO)c2Br)c(C)c1 2079873531 QENZFQFDQOUBSA-QGZVFWFLSA-N 426.305 5.706 30 10 IKEE CCc1nn([C@@H](c2ccc(C(F)(F)F)cc2)C2CCC2)c(Br)c1C=NO 2080047700 IGTLNYFTRYWYSR-MRXNPFEDSA-N 430.268 5.424 30 10 IKEE COC(=O)c1cnc2c(-c3cccc(C(F)(F)F)c3F)c(C(F)(F)F)nn2c1Cl 2081535942 ZSFAVQFQVPFHCH-UHFFFAOYSA-N 441.690 5.013 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1ncoc1C(F)F 2111565407 IHTISNDYIKWMDV-LBPRGKRZSA-N 428.233 5.381 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](Cc2cccc(Cl)c2Br)NC)C1 2126684832 LJHMJHIHERQXFJ-INIZCTEOSA-N 443.813 5.094 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H](CCNc2cc(Br)c(C#N)cc2F)CC1 2162403883 VGDBOMVZAHYAAC-CQSZACIVSA-N 440.357 5.299 30 10 IKEE CC(C)(C)OC(=O)Nc1ccccc1OCCNc1ccc(Br)cc1C#N 2183232685 UZLVJFVBSSLXRT-UHFFFAOYSA-N 432.318 5.159 30 10 IKEE CCCCCCCC[C@@H](C)Nc1ccc(I)cc1Br 2231923985 OEVWPWIHDXNCBK-CYBMUJFWSA-N 438.191 6.605 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]([C@H](C)CC)N(C)C(=O)OC(C)(C)C 2235721696 BFKMGVINIKQMRN-NSISKUIASA-N 437.422 5.060 30 10 IKEE C=CCC1(COc2cc(Br)ccc2N)CCN(C(=O)OC(C)(C)C)CC1 2272228641 JZMKNIHJNIGKDB-UHFFFAOYSA-N 425.367 5.004 30 10 IKEE CC1(C)CC[C@H](Nc2c(Br)cccc2C#N)[C@@H](CNC(=O)OC(C)(C)C)C1 2285178464 FPWMYEAWXDDNOQ-WBVHZDCISA-N 436.394 5.452 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](Cc2c(F)cccc2Br)NCCC)C1 2289562389 VWYPNLWZZHVHCC-GOSISDBHSA-N 441.385 5.112 30 10 IKEE O=c1c(C=NCc2ccccc2Cl)c(NCc2ccccc2Cl)nc2ccccn12 2296717918 KDEACMWERYGTRD-UHFFFAOYSA-N 437.330 5.233 30 10 IKEE Cc1cc(C)c2nc(N3C(=O)C(=O)C(=C(O)c4ccccc4)[C@@H]3c3ccccc3)sc2c1 2297056715 RLAGPHLQUNLSAP-QFIPXVFZSA-N 440.524 5.539 30 10 IKEE O=C(C=Cc1cn(C[C@H](O)CN2CCc3ccccc32)c2ccccc12)c1cccs1 2297359353 LVUSTTLJPLEOCA-OAQYLSRUSA-N 428.557 5.023 30 10 IKEE C=CCN1C(=O)C(=C2Sc3ccc(OC)cc3N2C)SC1=Nc1cc(C)ccc1C 2297707873 UZDHATYOWYEWMI-UHFFFAOYSA-N 437.590 5.472 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)C[C@@H]2CCC[C@@H]21 2298659547 YASUXWHXMPNMKS-OHTANWTRSA-N 428.617 5.211 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H]3C[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)c1 2308986711 QCDKBHLHDFTRFC-JMQJIOGXSA-N 441.572 5.322 30 10 IKEE O=C1NC(=Nc2ccc(F)cc2)SC1=Cc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 2313557823 MSXJONYADHFJMX-UHFFFAOYSA-N 443.843 5.539 30 10 IKEE CCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)cc2)SC1=Nc1cccnc1 2314541343 KCHUZBYDWFQPIY-UHFFFAOYSA-N 449.963 5.938 30 10 IKEE C=CCN1C(=O)C(=Cc2ccccc2Cl)SC1=Nc1nc(-c2ccccc2)cs1 2314543449 DNUUSLUHADCWDF-UHFFFAOYSA-N 437.977 6.254 30 10 IKEE O=C1C(=Cc2ccncc2)SC(=Nc2nc(-c3ccccc3)cs2)N1C1CCCCC1 2314543993 QVLPZFJWPXAYQW-UHFFFAOYSA-N 446.601 6.142 30 10 IKEE C=CCN1C(=O)C(=Cc2ccccc2[N+](=O)[O-])SC1=Nc1nc(-c2ccccc2)cs1 2314544236 WTZQFGRASFRDMO-UHFFFAOYSA-N 448.529 5.508 30 10 IKEE O=C1C(=Cc2cc(Cl)ccc2O)SC(=NN=Cc2cccs2)N1Cc1ccco1 2314819182 UXRQJSPKXQFUSA-UHFFFAOYSA-N 443.937 5.207 30 10 IKEE CCCCc1nnc(SCc2ccc(Br)cc2)n1N=Cc1ccc(C)cc1 2318571417 KDSARBPFOUHDHR-UHFFFAOYSA-N 443.414 5.866 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1N=Cc1ccc(OCC)c(Cl)c1 2318574610 OIMJQPPJBXPTSE-UHFFFAOYSA-N 428.989 5.847 30 10 IKEE COc1ccc(OC)c(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C2CC2)c1 2320919077 DBYJGWLSCKRCNA-UHFFFAOYSA-N 446.935 5.140 30 10 IKEE Cc1ccccc1COc1ccc2c(c1C)OC(=Cc1ccccc1Br)C2=O 2321742524 SUFODGRJOCMHSF-UHFFFAOYSA-N 435.317 6.261 30 10 IKEE C[C@H]1CCCC[C@H]1N1COc2ccc3c(c2C1)OC(=Cc1ccc(C(C)(C)C)cc1)C3=O 2322145999 LDNILUZAYKPXGV-FDDCHVKYSA-N 431.576 6.331 30 10 IKEE Cc1cccc(COc2ccc3ccccc3c2C=CC(=O)c2ccc3c(c2)CCCC3)c1 2322333342 AAICPLDMHPNEOX-UHFFFAOYSA-N 432.563 7.502 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2cccc3ccccc23)cc1 2322359571 GLNBZPLBCIQNEM-UHFFFAOYSA-N 426.943 7.531 30 10 IKEE COc1cccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2cc(C)ccc2C)c1 2322378796 HHWBJNUJSPQTJH-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE COC(=O)COc1c(C=CC(=O)c2ccc(C(C)C)cc2)cc(Br)cc1OC 2322737879 JNPNQVWAFVOZKE-UHFFFAOYSA-N 447.325 5.029 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4cc5cc(Cl)ccc5o4)cc(C)c3C2=O)cc1 2322847261 NMAMIOUTMNBTEL-UHFFFAOYSA-N 444.870 6.538 30 10 IKEE Cc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(-c4ccccc4)cc2)C3=O)c1 2322880957 PRKIFKSNVXLDSZ-UHFFFAOYSA-N 446.502 6.806 30 10 IKEE O=C(C=Cc1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1cccc(Br)c1 2323098080 QEOBMUPMTFGCDX-UHFFFAOYSA-N 438.277 5.832 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3ccccc3F)c2)cc1 2323134735 UAQXGXHHACAQGA-UHFFFAOYSA-N 449.478 5.147 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O)c1cc([N+](=O)[O-])ccc1Cl 2323231769 LUERAFFWUWXMMM-UHFFFAOYSA-N 439.782 5.223 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)C=Cc1ccc(C(C)C)cc1 2323260152 BSAFLJNQTBBDII-LOSJGSFVSA-N 442.644 5.042 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1cccc(OCC(=O)Nc2cccc(C)c2)c1 2323301691 VLEDNQPULMFRAT-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1 2323395724 AOQQLIVFCUZKGE-UHFFFAOYSA-N 435.523 6.316 30 10 IKEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc4ccccc4c3)cc2OC)o1 2323412830 HIPRAXXBNOMHBV-UHFFFAOYSA-N 442.467 5.703 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc(C)c3C2=O)cc1 2323701786 TUZKNDHJECVKTE-UHFFFAOYSA-N 449.846 5.700 30 10 IKEE COc1cc(C=NNc2nc(-c3ccc(C)cc3C)cs2)cc([N+](=O)[O-])c1OC(C)C 2323852633 HXWKRIBPJZDAKH-UHFFFAOYSA-N 440.525 5.577 30 10 IKEE CCCOc1ccc(C=NNc2nc(-c3ccc(OC)cc3OC)cs2)cc1OC 2323865861 LHJSWFCNYVSGAW-UHFFFAOYSA-N 427.526 5.071 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OCC(=O)Nc1cc(C)ccc1C 2323870661 OPNVMLZHBKFMEQ-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE CC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2sccc2C)C3=O)c1 2323900922 PCXSASYWMBKSCQ-UHFFFAOYSA-N 434.469 5.126 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(OCCCOc4ccccc4)c3C)C2=O)cc1 2324241171 OHTFCEJQGPGDGE-UHFFFAOYSA-N 430.500 5.858 30 10 IKEE COc1ccc(OC)c(C=C2Oc3cc(OCCCOc4ccc(C)cc4)ccc3C2=O)c1 2324545196 TVRNKHBPXUZQMX-UHFFFAOYSA-N 446.499 5.476 30 10 IKEE C=CCc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OCc1ccc(C)cc1 2324567743 WCCUGYWSCHMKAZ-UHFFFAOYSA-N 440.583 7.132 30 10 IKEE COc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3cccc4ccccc34)cs2)c(OC)c1 2324637585 QLJRIUVBXYZWIH-JOCHJYFZSA-N 440.524 5.870 30 10 IKEE C=C(C)COc1ccc(C=CC(=O)c2ccc(OC)c3ccccc23)cc1Br 2324682758 OPRSTBMCIPUOPW-UHFFFAOYSA-N 437.333 6.462 30 10 IKEE N#C[C@@H](C(=O)C=Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(Cl)s2)cs1 2324817331 RAJDSHNBGBQIGS-NSHDSACASA-N 439.776 6.721 30 10 IKEE CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccccc2)C3=O)cc1 2325435599 WMASJVYGDKBYKC-SFHVURJKSA-N 441.483 5.220 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(OCC(=O)Nc3ccc(Cl)cc3)c2C)C1=O 2325513747 PTRZEYYJGHNWAK-UHFFFAOYSA-N 439.920 5.652 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1N=Cc1c(OC)ccc2ccccc12 2325514095 CIDIDTOIHYFKMJ-UHFFFAOYSA-N 448.567 6.096 30 10 IKEE CCCOc1ccc(C=CC(=O)C(=O)Nc2ccc(Br)c(C)c2)cc1OCC 2325648800 ZRWPQCLVTKOGNZ-UHFFFAOYSA-N 446.341 5.166 30 10 IKEE COc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)Cc1ccc(F)c(C)c1 2325669676 IUMMWVBYROJUFB-UHFFFAOYSA-N 449.434 5.095 30 10 IKEE CCOc1ccc(CC(=O)Oc2cc(C=CC(=O)c3cccc(OC)c3)ccc2OC)cc1 2325706138 HSLKCXPBLCZJTI-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2C)C3=O)c1 2325740900 BGOZOLJTZRKEON-UHFFFAOYSA-N 427.500 5.554 30 10 IKEE Cc1cc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(Cl)c(Cl)c3)c2)ccc1F 2325741886 WNLDSSZKWOJYGQ-UHFFFAOYSA-N 443.301 6.485 30 10 IKEE CC(C)Oc1ccc(C=Nn2cnnc2SCc2ccc(C(C)(C)C)cc2)cc1Cl 2326315414 PKCIKKFADHMPOM-UHFFFAOYSA-N 443.016 6.191 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccc(OC)c(O)c1Cl 2326382494 OOVUXQHAACZXGL-UHFFFAOYSA-N 430.961 5.081 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1ccc(OC)c(OCC)c1 2326414391 WPFKUFHMTNVMAG-UHFFFAOYSA-N 438.597 5.429 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1cccc(OC(C)C)c1 2326638912 VCZOGXABFQEABY-UHFFFAOYSA-N 444.604 6.346 30 10 IKEE CCCc1ccc(OCc2nnc(SC)n2N=Cc2c(OC)ccc3ccccc23)cc1 2327322890 FLZLOGQPJJRMAI-UHFFFAOYSA-N 446.576 5.576 30 10 IKEE CCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1c(F)cccc1Cl 2327543742 PGGYPYQVTICRGO-UHFFFAOYSA-N 425.316 5.297 30 10 IKEE COc1ccccc1CCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccc[nH]1 2328692185 KXLWSDWFDWMKET-UHFFFAOYSA-N 445.592 5.191 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(C=CC(=O)c3ccc(-c4ccccc4)cc3)cc2)c1 2330592895 NOSBCOLGFHYGBJ-UHFFFAOYSA-N 446.546 7.015 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1Cl 2330684474 ARRYDDURMUOIAO-UHFFFAOYSA-N 444.958 6.653 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(OC)c2)cc(OC)c1OC(=O)CC(C)C 2330733834 UWVCURFBFUDERT-UHFFFAOYSA-N 438.520 5.289 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(F)c3)c(OC)c2)cc1 2330849520 CFAREBQLZRKYJS-UHFFFAOYSA-N 432.491 6.292 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2Br)cc1)c1ccccc1Cl 2330910500 NEKOHSDIBARPOW-UHFFFAOYSA-N 441.708 6.218 30 10 IKEE Fc1cccc(CSc2nnc([C@H]3CCCO3)n2N=Cc2c(F)cccc2Cl)c1 2330935665 AGBWSYVCZUGNJC-GOSISDBHSA-N 434.899 5.236 30 10 IKEE Clc1cccc(C=Nn2c(SCc3ccccc3Cl)nnc2[C@H]2CCCO2)c1 2330965812 QUTYSHRENJHJJD-GOSISDBHSA-N 433.364 5.611 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)c2ccc(N(C)C)cc2)c(Cl)c1 2331061388 MDQYYNJENKKALC-UHFFFAOYSA-N 435.907 5.530 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)C1CCCC1 2331129370 OJDZGOUBCPCRPL-UHFFFAOYSA-N 433.331 6.384 30 10 IKEE C=C(C)CSc1nnc(-c2ccco2)n1N=Cc1cccc(OCc2ccccc2)c1 2331201825 YPQGAIAZIFUMRO-UHFFFAOYSA-N 430.533 5.668 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc([N+](=O)[O-])c1OC(=O)c1cccnc1 2331324621 XMRFSJPISRJZEX-UHFFFAOYSA-N 446.459 5.121 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCc3ccccc3F)nnc2C(C)(C)C)cc1 2331396343 OMHZMVCWEYDGML-UHFFFAOYSA-N 439.604 5.735 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 2331412498 CQDUOVCBTADGKN-UHFFFAOYSA-N 440.583 6.981 30 10 IKEE CCCOc1cccc(C=Nn2c(CC(C)C)nnc2SCc2ccc(F)cc2)c1 2331434401 VQLXYKCONWMYRM-UHFFFAOYSA-N 426.561 5.579 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccccc3)nnc2C2CCC2)cc1OCC 2331521160 HJNLTYLJXKDBNM-UHFFFAOYSA-N 436.581 5.518 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccccc2Cl)cc1 2331545928 AWZBQPKRBSJYQY-UHFFFAOYSA-N 448.946 6.761 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1cccc(OC)c1 2331565715 QXKBBDCJKOYWGX-UHFFFAOYSA-N 438.426 5.487 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3ccccc3)c(OC)c2)c(C)c1C 2331612649 FTQOPFSVFPZZCE-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE COCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1OC 2331640711 RZHKAOFHWPYBRA-UHFFFAOYSA-N 430.928 5.420 30 10 IKEE CCC(=O)Oc1ccc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc1Br 2331756867 GRRNSROBUKKLJL-UHFFFAOYSA-N 437.717 5.631 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2ccccc2)c([N+](=O)[O-])c1 2331877067 SRZMUJLTRJSZLQ-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE CCCCCCC[C@@](C)(N)Cc1ccc(I)c(Br)c1 2349823046 WZIZCGOREPXHEK-MRXNPFEDSA-N 438.191 5.674 30 10 IKEE Cc1cc(COc2ccc(Br)cc2Cl)cc(B2OC(C)(C)C(C)(C)O2)c1 2369697902 VLTWGNRIPUGORN-UHFFFAOYSA-N 437.570 5.289 30 10 IKEE CC1(C)OB(c2ccc(CSCC3CC4(CCC4)C3)cc2Br)OC1(C)C 2377315378 JAFBRYAQJFVNHF-UHFFFAOYSA-N 437.252 5.562 30 10 IKEE Cc1cccc(C)c1NC(=S)N/N=C1\C(=O)N(Cc2cccc(Cl)c2)c2ccccc21 3041555 LECRURPEDDHNCW-QYQHSDTDSA-N 448.979 5.194 30 10 IKEE CCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2CC)S/C1=N\[C@H](C)c1ccccc1 4124680 WHBAUJFADSQSAI-WABTYRSUSA-N 439.606 5.509 30 10 IKEE CCOC(=O)N1CCc2c(sc(NC(=O)c3ccccc3Oc3ccccc3)c2C#N)C1 9383032 QPCVFWBGPOSJCP-UHFFFAOYSA-N 447.516 5.179 30 10 IKEE Clc1ccc(COc2ccccc2/C=N/Nc2n[nH]c(SC3CCCCC3)n2)cc1 21084986 NESHINKEWWQKJH-ZVHZXABRSA-N 441.988 5.908 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc3ccccc23)cc1OC 21249071 NCCGTDDKPCXWDF-DENIHFKCSA-N 441.527 5.251 30 10 IKEE CC(C)COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 21260593 XBLRCKXUCVUEMN-ZJSXRUAMSA-N 445.603 6.023 30 10 IKEE CCCCOc1ccc(/C=C2/CN(C)C/C(=C\c3ccc(OCCCC)cc3)C2=O)cc1 33570895 LMQMJYFVRFKJSJ-ZFQRDYFNSA-N 433.592 6.026 30 10 IKEE Cc1cc2c(n1-c1ccc(Br)cc1)CC(C)(C)C/C2=N\OC(=O)c1ccco1 39853253 ITNKYEVQPCILFS-HKOYGPOVSA-N 441.325 5.675 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)S/C1=N/c1cccc(C)n1 39863431 OAVUMUWJTRZABC-KJSLDKNGSA-N 435.936 6.093 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(C(C)(C)C)cc1)C3=O)CN(Cc1ccccn1)CO2 41588156 IJIWCPIVYUCTBO-CFRMEGHHSA-N 440.543 5.656 30 10 IKEE COc1ccc(CCN2COc3ccc4c(c3C2)O/C(=C\c2cccc(C)c2)C4=O)cc1 41658305 AQICZOOYTAHGDL-MYYYXRDXSA-N 427.500 5.014 30 10 IKEE CCCCCCCOc1ccc2ccccc2c1[C@H]1Nc2ccccc2C(=O)N1CCC 100134988 DABITAGFZBOGTO-MHZLTWQESA-N 430.592 7.166 30 10 IKEE CCCCCCCOc1ccc(NC(=O)c2cccc(OCCc3ccccc3)c2)cc1 100242807 XNMNSWLXQQERNF-UHFFFAOYSA-N 431.576 6.910 30 10 IKEE CCCCCCCOc1ccc(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)cc1 100291028 XUNWRRQUNWBZNL-CXUHLZMHSA-N 431.001 6.216 30 10 IKEE CCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)S/C1=N/c1nc(-c2ccccc2)cs1 101130369 FYDBAELMJGRYIR-LMCHCYRTSA-N 436.518 5.342 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(Nc2cccc(C)n2)c1N 101500933 NLCDQSSDVCPEIK-UHFFFAOYSA-N 440.680 7.399 30 10 IKEE COC(=O)c1ccc2c(c1)C(=O)/C(=C\c1cn(-c3ccccc3)nc1-c1ccc(F)cc1)O2 102852240 JIORRJCEISULCP-OEAKJJBVSA-N 440.430 5.081 30 10 IKEE COc1cc(/C=N/Nc2ccc(F)cc2)cc(Br)c1OCc1ccccc1 169878990 JSJOBNGYNQLRFD-ZMOGYAJESA-N 429.289 5.622 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2cccs2)cc1 169921276 MOLFBSXYLOXQSR-JOCHJYFZSA-N 445.496 5.281 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cccc(OC(C)C)c1 169981269 YYRFJNAQQASMEL-QHCPKHFHSA-N 435.520 5.003 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@@H]2c2cccs2)ccc1F 169986246 NMAPMFMFRJHTGO-HSZRJFAPSA-N 443.499 6.132 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccncc2)c1 170016486 WNUGZAPYYMBHAL-XMMPIXPASA-N 426.516 5.605 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@H]1c1ccncc1 170019674 WMXAJLPKSYVWLI-HSZRJFAPSA-N 432.907 5.145 30 10 IKEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccccc2)cc1 170055792 FQZVXSICTVHMHG-AREMUKBSSA-N 441.527 5.183 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccc(F)cc2)c1 170062476 LVKAQMYRFIZQBM-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2cccc(O)c2)cc1C 170082185 JQOBYYAAZCMNGR-QFIPXVFZSA-N 435.426 5.070 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2Cc2cccs2)c1 170139168 VWQFOYNZJLCBEP-QHCPKHFHSA-N 447.556 5.622 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccc(OC(C)C)cc1 170152149 XXWYATHAOALSCZ-BXKMTCNYSA-N 449.547 5.176 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2cccnc2)c(C)c1 170190342 CFXHIMYHWHLLBI-RUZDIDTESA-N 438.527 5.360 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccs4)[C@@H]3c3ccccc3)oc12 170221914 XHHQHZKSEBCCGG-OAQYLSRUSA-N 445.496 5.281 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)(C)C)c2)[C@@H]1c1ccccc1 170232286 MEDUFAICLAZZHA-QHCPKHFHSA-N 435.564 5.761 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(Cl)cc1 170236711 MYZCPNRIVSYZFG-QHCPKHFHSA-N 433.935 6.262 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2c[nH]c3ccccc23)c(C)c1 170256308 NOHJZIOKHQQMLW-HSZRJFAPSA-N 430.504 5.006 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1Cc1cccs1 170269803 OLKOAQDIQWFMEZ-QHCPKHFHSA-N 447.556 5.622 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2C)cc1 170272175 QCKRTOVVQDOPAJ-XMMPIXPASA-N 427.500 5.567 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2C)cc1C(C)C 170274073 UOPKNCWUWKIVNE-XMMPIXPASA-N 445.515 5.499 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccco1)c1ccc2c(c1)CCCO2 170287063 KXWCUJWQGORHQO-NRFANRHFSA-N 435.863 5.041 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2sccc2C)c1 170317425 NHNFNUWYIGAVLX-OAQYLSRUSA-N 439.577 5.756 30 10 IKEE Cc1cc2nc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3ccc(O)cc3)sc2cc1C 170451274 AOPYGOKDNKNWDW-NRFANRHFSA-N 436.533 5.134 30 10 IKEE C=C(C)COc1cccc2c1N[C@H](c1ccc3c(c1)c1ccccc1n3CC)[C@H]1CC=C[C@@H]21 226683966 RXMVELVCNTVQSB-XZFDQLJLSA-N 434.583 7.596 30 10 IKEE C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@@]43C)[C@H]1C/C(=C/c1ccc(C(F)(F)F)cc1)C2=O 253561771 CMCWTYNIVZMUIH-BKMQPHDGSA-N 430.554 7.701 30 10 IKEE O=C(Oc1c(Cl)cc(Cl)cc1C=Nc1cccc(C(F)(F)F)c1)c1ccccc1 254493064 LSCOIZUYQCZVAE-UHFFFAOYSA-N 438.232 6.982 30 10 IKEE N#Cc1cc(Cl)ccc1Nc1ccc(I)cc1Br 302371359 KWOLVPNDFSTVGT-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE CC1(C)OB(c2ccccc2COc2cc(F)c(Br)cc2Cl)OC1(C)C 302640695 SUSJNALDTPLRCV-UHFFFAOYSA-N 441.533 5.120 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1sccc1Br)NCCC 406498357 LEBSQNVTZCRXBT-HOTGVXAUSA-N 431.440 5.281 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(Cl)c1 526606714 NSOMOOGEODCWEP-OAQYLSRUSA-N 437.282 5.628 30 10 IKEE Cc1ccsc1[C@@H]1C(c2ccc(Cl)cc2Cl)=C(O)C(=O)N1c1ccccc1C#N 526608734 MYWRPQQGXJGTOG-IBGZPJMESA-N 441.339 6.292 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 526772395 HWAJMFMVKGKAEJ-HSZRJFAPSA-N 445.946 6.420 30 10 IKEE Cc1ccc(CSc2nnc(C)n2/N=C\c2ccc(OCc3ccccc3)cc2)cc1 526804252 KJAKFWAHKCMQRB-QQXSKIMKSA-N 428.561 5.648 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1ccc(Br)cc1 526808653 MWTOUNKCMJNNLO-XKZIYDEJSA-N 429.387 5.476 30 10 IKEE CCc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2cccc(C)c2)cc1 526809191 XHXHCIHNCMHJEI-IMRQLAEWSA-N 426.589 5.914 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1ccc(N(C)C)cc1 526815077 OMICDKPMABWWLU-CFRMEGHHSA-N 448.423 5.778 30 10 IKEE CC(C)Oc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)[C@H]2CCCC[C@H]2C)cc1 586151306 SMENBUFOCHEJRV-DVECYGJZSA-N 426.582 5.115 30 10 IKEE C=CCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586252616 YRPBPNSFEUIBNU-UHFFFAOYSA-N 435.589 5.944 30 10 IKEE CC(C)(C)OC(=O)N(C[C@H]1CCCO1)[C@H](C#N)c1ccc(Cl)cc1Br 698472162 QTYYDCQPEWJDEP-CZUORRHYSA-N 429.742 5.083 30 10 IKEE C=CCCC[C@H](NCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 708552108 TWTFJLPSKGTKJS-RBUKOAKNSA-N 425.411 5.219 30 10 IKEE C[C@H]1[C@H]2CC[C@@H](C[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCC1)N2C(=O)OC(C)(C)C 709330433 KOSSIGKNTBVXTL-DOCQIZIDSA-N 433.593 5.236 30 10 IKEE CCOC(=O)c1ccc(-n2c(C)cc(C=Nc3ccc(Br)cc3)c2C)cc1 725439177 LLSSMRQOGNXPNX-UHFFFAOYSA-N 425.326 5.784 30 10 IKEE CC/N=C1/S/C(=C\c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)C(=O)N1CC 1084080826 MHKZNVJZNAIUDI-LTUYXDACSA-N 429.589 6.073 30 10 IKEE CCOC(=O)c1c(N=Cc2ccc3c(c2)c2ccccc2n3CC)sc2c1CCCC2 1084183395 IQWGKELOSXOKEB-UHFFFAOYSA-N 430.573 6.682 30 10 IKEE C=CCCCCCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1csc(C)c1 1749384306 YYNBZIKZCYLWMG-UHFFFAOYSA-N 448.596 5.195 30 10 IKEE CCc1ccc(NC(=O)[C@@]23CC[C@@](C)(C(=NOC(=O)c4ccc(OC)cc4)C2)C3(C)C)cc1 1772722595 KDFOXZBAPSUNNG-RRPNLBNLSA-N 448.563 5.626 30 10 IKEE COc1ccc(OC)c(/C=C2\SC(=Nc3nccs3)N(C3CCCCC3)C2=O)c1 1772734978 OZSHSUWYCXRMQJ-FQGQUVFJSA-N 429.567 5.097 30 10 IKEE Cc1nnc(N=C2S/C(=C/c3ccc(Cl)cc3Cl)C(=O)N2c2ccccc2)s1 1772735629 GAKFOZZJSGLDHY-WBXVYAGQSA-N 447.372 5.962 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)SC1=Nc1nc(C)cs1 1772737539 XOMOJBVNVXMYKE-AFKZWVQSSA-N 449.601 5.963 30 10 IKEE Cc1ccc(NC(=S)N/N=C\c2cn(-c3ccc(F)cc3)nc2-c2ccccc2)cc1C 1857808664 GGZUEYKOUOBUDE-DICXZTSXSA-N 443.551 5.616 30 10 IKEE CCCCCCCCCOc1cccnc1NC(=O)c1cc(OC)c(OC)c(OC)c1 1858750177 OTUHQNRGCIMGEO-UHFFFAOYSA-N 430.545 5.489 30 10 IKEE Cc1ccc(C(=O)Nc2cccc3c(OC(=O)Nc4ccccc4C#N)cccc23)cc1C 1858771131 OGWYGNPILNNTPW-UHFFFAOYSA-N 435.483 6.192 30 10 IKEE CC(C)OC(=O)c1cccc(CSc2nc(O)c(C#N)c(-c3cccc(Cl)c3)n2)c1 1860466561 ZFTLWZKZOCCZDH-UHFFFAOYSA-N 439.924 5.232 30 10 IKEE CCCCCCCn1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860826754 LVADBNBWDRFSGQ-HMMYKYKNSA-N 444.622 5.678 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)C(c1ccccc1)c1ccccc1 1861476805 DWLJCXLISNUROQ-RUZDIDTESA-N 436.640 5.970 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(OC)c(C)c2)n(Cc2ccc(Cl)cc2)n1 1862335745 HQRYMVXOCCWYRS-UHFFFAOYSA-N 435.955 5.383 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(F)c(C)c2)n(-c2cccc3ccccc23)n1 1862348363 HXWIVOQFLXMJDJ-UHFFFAOYSA-N 425.507 5.954 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@@H]2c2ccc(OC)c(O)c2)cc1 1862398694 ZCDQSGVCODNNBE-HSZRJFAPSA-N 437.536 5.122 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2[C@@H](C)c2ccccc2)c1 1862431286 DGJPYMHZFAOLLA-HJPURHCSSA-N 447.918 5.688 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(F)c1 1862445218 QYSIZQHIXWEINB-RBBKRZOGSA-N 443.946 6.416 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccccc2Cl)cc1 1862476813 OXBRKXSQIPNAJP-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2Cl)ccc1F 1862502719 HPULJRZYYVNZIQ-HXUWFJFHSA-N 425.843 5.159 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2ccc(Cl)cc2Cl)cc1 1862539099 OOQNHOSRGIGCBC-HXUWFJFHSA-N 448.346 5.171 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(F)cc1 1862582104 WQVMKQJCCMBVNW-IBGZPJMESA-N 436.310 5.757 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(F)cc1F 1862651409 RYUZXCQXLUSFKT-XMMPIXPASA-N 449.497 6.277 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2cccc(C)c2)c1 1862698344 GJAJQWZALIAENY-XMMPIXPASA-N 427.500 5.091 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1cccc(O)c1 1862699178 RIQWFKANRDMOHO-HSZRJFAPSA-N 437.536 5.340 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1c(Cl)cccc1Cl 1862705937 JWKIOKLPHVIOTJ-BUXKBTBVSA-N 434.319 5.379 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3cc(Cl)ccc3Cl)C2=O)cc1 1863013937 NTASOZPWPFYDDO-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccccc2Cl)C1=O 1863067238 DCSHPSNJIFKPJP-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(F)cc2)=C(c2ccc(F)cc2)C1=O 1863138195 YEERRWJUSYWGRZ-UHFFFAOYSA-N 440.534 6.298 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C)c(C)c2)=C(c2ccc(C)c(C)c2)C1=O 1863246921 JNAMPAFOBGIUGS-UHFFFAOYSA-N 432.608 6.473 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2C(=O)OC)=C(c2ccc(C)cc2)C1=O 1863269549 JINLSRINGUCDHF-UHFFFAOYSA-N 448.563 5.334 30 10 IKEE CCCCCCCCN1C(=O)C(NC(C)C)=C(c2ccc(OCc3ccccc3)cc2)C1=O 1863707383 MAPOAUBYOPJCGP-UHFFFAOYSA-N 448.607 5.704 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2cccnc2)=C(c2cc(C)ccc2C)C1=O 1863740053 JGWVSKLGGHAWAY-UHFFFAOYSA-N 447.623 5.709 30 10 IKEE CCCCCCCCNC1=C(c2cc(C)ccc2C)C(=O)N([C@H](C)c2ccccc2)C1=O 1863743365 MKHUZFSHOTWDBW-JOCHJYFZSA-N 432.608 6.095 30 10 IKEE N#Cc1cccc(NC(=O)CCCCCCCCCCN2C(=O)c3ccccc3C2=O)c1 1865899291 YHALMIDAIZMZEE-UHFFFAOYSA-N 431.536 5.304 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 1866029633 XHATXJGLHGAIOO-VRRUSRJMSA-N 445.776 8.969 30 10 IKEE CC[C@@](C)(NC(=O)[C@H](c1ccc(Cl)cc1)C1CCCC1)C(=O)Nc1cccc(C#N)c1 1867007802 OEPCWBZZUUVNNO-WIOPSUGQSA-N 437.971 5.409 30 10 IKEE CC(C)c1nc(Nc2ccccc2C#N)cc(N2C[C@@H](c3ccccc3)Cc3ccccc32)n1 1868237809 DVPXXTJEQLVKKZ-DEOSSOPVSA-N 445.570 6.693 30 10 IKEE Cc1ccccc1-c1nc(Nc2ccccc2C#N)cc(N2C[C@@H](C)Cc3ccccc32)n1 1868307930 ZQIJRQLVGJICEI-IBGZPJMESA-N 431.543 6.398 30 10 IKEE Cc1ccccc1-c1nc(Nc2ccc(C#N)cc2)cc(N2C[C@H](C)Cc3ccccc32)n1 1868310798 FRTUUSNRWKHKQN-LJQANCHMSA-N 431.543 6.398 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)Nc2ccc(Cl)cc2)c(=O)cc1C 1870083612 JHGBSXYJKZXBLK-UHFFFAOYSA-N 432.992 5.968 30 10 IKEE N#Cc1nnn(-c2cccc(Cl)c2)c1NC(=O)c1c(Cl)ccc(Cl)c1Cl 1870154133 MUCJMDVYXJEUOZ-UHFFFAOYSA-N 427.078 5.005 30 10 IKEE Cc1ccc(CCn2cc(OCc3ccc(C#N)cc3)c(=O)cc2CSC(C)C)cc1 1870233059 ARURXVPVZLRXNP-UHFFFAOYSA-N 432.589 5.492 30 10 IKEE C=CCOc1cn(Cc2ccc(C)cc2)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870244700 DFSCWZPIOONOER-UHFFFAOYSA-N 445.588 5.254 30 10 IKEE C=CCn1cc(OCCCOc2ccc(CC)cc2)c(=O)cc1CN(CCC)CCCC 1870453984 HQKRPTYJRCHDTH-UHFFFAOYSA-N 440.628 5.457 30 10 IKEE C=CCOc1cn(CCC2=CCCCC2)c(CNc2cccc(C(F)(F)F)c2)cc1=O 1870813552 PUHADCPGHNIJRZ-UHFFFAOYSA-N 432.486 5.935 30 10 IKEE CCCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1cccc(C)c1C 1871254589 CYXKESWPUIQIJI-UHFFFAOYSA-N 443.591 6.108 30 10 IKEE CCCCC[C@H](CC)N1COc2ccc3c(c2C1)O/C(=C\c1ccc(OCC)cc1)C3=O 1871347710 RBKVBFCTKSHRCN-HBAFHOPNSA-N 435.564 6.212 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OC(=O)CC4CCCCC4)c3C)C2=O)c1OC 1871380585 WIWLUWXBXSRKCP-JCMHNJIXSA-N 436.504 5.504 30 10 IKEE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 1871380983 HSCOJWNLRLEJFD-OLNXSBFISA-N 439.423 5.386 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(CC)cc2)C3=O)CC1 1871382927 KPKAPOQYWGSLBT-ITYLOYPMSA-N 446.587 7.076 30 10 IKEE CCn1cc(/C=C2\Oc3c(ccc(OCCOc4ccccc4)c3C)C2=O)c2ccccc21 1871397279 JLUUGSGBAZGRLH-ONUIUJJFSA-N 439.511 6.044 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(O[C@H](C)C(=O)Nc3ccc(F)cc3)cc(C)c2C1=O 1871401199 WFNOSOUHZUOWGJ-GEWRUKCFSA-N 447.462 5.165 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1ccc2c(c1C)O/C(=C\C=C\c1ccccc1)C2=O 1871429156 KLKPXQQGCPOAAJ-PLFTVKGYSA-N 448.559 6.448 30 10 IKEE CC(C)(C)c1ccc(/C=C2\Oc3cc(OCCC(=O)Nc4ccccc4)ccc3C2=O)cc1 1871447208 PKUXSUNXCVLVIJ-UQQQWYQISA-N 441.527 6.008 30 10 IKEE CCCCCCCCN=c1nc(N(CC)CCCC)[nH]c(=Nc2cccc3ccccc23)[nH]1 1871729596 KIIWTFHZFNMMPQ-UHFFFAOYSA-N 448.659 6.011 30 10 IKEE C=CCN([C@@H](CC(C)C)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872224663 CQFNSJCHMKAUJJ-QFIPXVFZSA-N 449.016 5.187 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)cc1C)[C@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872549985 XOBOYVUQMBFHRM-JPYJTQIMSA-N 446.588 5.063 30 10 IKEE C[C@H](Oc1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1872760402 NLDGSWOOPRYHOZ-YVEFUNNKSA-N 427.869 5.015 30 10 IKEE CC(C)c1ccccc1O[C@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc(F)cc2F)cs1 1872766423 GJSWXCBDRKYAJN-RDTXWAMCSA-N 426.488 5.855 30 10 IKEE COc1ccc(CC(=O)[C@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)c(OC)c1 1872788218 XGTCCZQDWPLHDC-INIZCTEOSA-N 447.343 5.553 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 1873935411 PHZGWMZPIGTAKP-QFIPXVFZSA-N 436.596 6.089 30 10 IKEE CCc1ccc(/C=N/n2c(CCCOc3ccc4ccccc4c3)nnc2SC)cc1 1874196986 MBILEPCIGSAXGN-NLRVBDNBSA-N 430.577 5.609 30 10 IKEE C=C(C)CSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1cccnc1 1874205996 FFJFIMFGLCVLHA-AUEPDCJTSA-N 434.352 5.109 30 10 IKEE CCCOc1ccccc1/C=N/n1c(CCCOc2cccc(C)c2)nnc1SCC 1874246196 RHBMCMQZNLIRAO-XIEYBQDHSA-N 438.597 5.381 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1cccc(Cl)c1 1874249723 JEDPITOSVJQFFN-LFVJCYFKSA-N 426.973 5.412 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccc(Cl)cc3)n2/N=C/c2ccccc2)cc1 1874262786 QIPWNAGXYRTING-CVKSISIWSA-N 448.979 5.993 30 10 IKEE Fc1ccc(CSc2nnc(Cc3cccc4ccccc34)n2/N=C/c2ccc[nH]2)cc1 1874268874 OWDLEMNFFJHACN-LQKURTRISA-N 441.535 5.664 30 10 IKEE CCCSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874367968 SVKZLEPHVJOUDL-ZVHZXABRSA-N 444.988 5.779 30 10 IKEE CSc1nnc(CC(C)(C)C)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874435427 GKERKJVKBJNAJP-ZVHZXABRSA-N 428.989 5.703 30 10 IKEE Clc1ccccc1/C=N/n1c(SCc2cccc3ccccc23)nnc1[C@@H]1CCCO1 1874450194 VTBVBZREBNZSHG-WGLQLPMYSA-N 448.979 6.111 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1cccc(OC)c1O 1874479342 WHGNJROANYSQKS-WGOQTCKBSA-N 446.576 5.663 30 10 IKEE CC(C)c1nnc(SCc2ccccc2F)n1/N=C/c1cc(Br)ccc1O 1874513669 KNCZIARKHVVRBO-LSHDLFTRSA-N 449.349 5.183 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C2CC2)c1 1874522961 SHOQMGHFCOXRLR-FOKLQQMPSA-N 433.364 5.645 30 10 IKEE CCCOc1ccccc1/C=N/n1c(S)nnc1CCCOc1ccc2ccccc2c1 1874569199 LYPZLQMCMMDOSV-NLRVBDNBSA-N 446.576 5.403 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2ccccc2)cc1 1874573732 CFVZLDJANNDBAI-VHEBQXMUSA-N 443.543 5.951 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccccc2)c1OCC(=O)Nc1cccc(C)c1C 1874578485 QDQJHPRPEULKFG-OUKQBFOZSA-N 449.934 5.879 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2 1874583087 WBACTLUYNSTOJM-FPYGCLRLSA-N 437.835 5.452 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3ccc(C)cc3)c(OC)c2)cc1C 1874606898 MBUKDHQOBCOLOX-ZRDIBKRKSA-N 432.516 5.804 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Cl)c1OCC(=O)OCC(C)C 1874608725 DJSFBGGUCAMEEH-CMDGGOBGSA-N 437.319 5.476 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OCC(=O)OCC(C)C 1874618730 QBZCDAYQLFCJTG-VAWYXSNFSA-N 436.548 5.515 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(Cl)c1OCc1ccccc1 1874623518 GUOZWPVFDLDNRN-CCEZHUSRSA-N 428.915 6.977 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1C 1874631879 ZCARKLVGANFEEW-RUDMXATFSA-N 445.773 7.739 30 10 IKEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1OCC 1874638403 YBQUTOPQZDIJKD-WEVVVXLNSA-N 436.335 5.193 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)c1)c1ccc([N+](=O)[O-])cc1 1874697822 BTSJDZIDFJVEDI-KCCWEBPOSA-N 447.874 5.853 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3[nH]c4ccc(C)cc4c3C)c2)cc1 1874701572 ZHKXDQNLFMXUNI-OQLLNIDSSA-N 439.511 6.299 30 10 IKEE Cc1cc(C(=O)/C=C/c2cccc(OC(=O)C3(c4ccc5c(c4)OCO5)CC3)c2)ccc1F 1874703848 KJDVZBTUZHKHGL-WEVVVXLNSA-N 444.458 5.396 30 10 IKEE COc1cccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3cccc4ccccc34)c2)c1 1874708158 PBPGQRSWJYYCKG-FOCLMDBBSA-N 438.479 5.729 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(CC)cc3)cc2[N+](=O)[O-])cc1 1875100870 LRUXVDQRDQCRAP-VIZOYTHASA-N 445.471 5.671 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OC(=O)[C@H](C)c1ccccc1 1875110622 TXVSFXPREHEOHF-FDPSAONLSA-N 434.919 6.344 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2Cl)cc1 1875125890 FPZXRVOONPSHMJ-WLRTZDKTSA-N 425.311 6.671 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1Cl 1875128102 NCQREHYNSHAJQL-MDWZMJQESA-N 425.311 6.428 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)Cc1ccc(C)cc1 1875128535 IOLNJORYPVAOHT-FOCLMDBBSA-N 426.512 5.776 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)Cc1ccc(F)c(C)c1 1875133463 VYJBHICKMZHJQP-XYOKQWHBSA-N 448.490 5.504 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)COc1ccccc1 1875140159 SVDVZCLJDQKRDK-WYMLVPIESA-N 430.500 5.583 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2OCC)c1 1875158676 IDTBVPISVQVQOM-RIYZIHGNSA-N 434.463 5.738 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cc4ccccc4cc3OC)cc21 1891185564 HEISUEDNVZZEQR-UHFFFAOYSA-N 430.504 5.038 30 10 IKEE O=C(Nc1cccc(-c2ccc(C(F)(F)F)cc2)c1)Nc1c(F)c(F)c(F)c(F)c1F 1891792317 BSCDYXPFGNZYCS-UHFFFAOYSA-N 446.297 6.712 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@](C)(NC(=O)OC(C)(C)C)c1ccccc1 1922066803 WVOYRHMSNJYCQA-IGKIAQTJSA-N 438.612 5.568 30 10 IKEE COc1cccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2C)c1Br 1927303896 JXSNUGUMTPOWPY-QGZVFWFLSA-N 431.330 5.773 30 10 IKEE CC(C)(C)OC(=O)N(C1CCC1)[C@@H](C#N)c1c(Br)cccc1Br 1938364822 JJMFHTSBAJPGBM-AWEZNQCLSA-N 444.167 5.566 30 10 IKEE C=C1CCC(C[C@@H](C[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)NCC)CC1 1947476873 WXLMTQNLFPYPMK-ZEQRLZLVSA-N 430.633 5.601 30 10 IKEE CC(C)(C)OC(=O)NCC[C@@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)C1 1950510467 COTDQIYBERIRTG-UUOWRZLLSA-N 435.609 5.533 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)C1(C#N)CCC2(CC1)C[C@H]2CNC(=O)OC(C)(C)C 1996453093 FDUPPUJFSYQMHP-JSODFGIGSA-N 435.609 5.389 30 10 IKEE C=C([C@@H](NCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)[Si](C)(C)C 1997468553 HKFUOKAZJQITIY-RCZVLFRGSA-N 446.708 5.242 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@](C#N)(N(C(=O)OC(C)(C)C)c3ccccc3F)C[C@H]2C1 2040977621 LOFZQKBVYJEHDN-XHNJZIHCSA-N 445.535 5.106 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Br)c(Cl)c1 2041574736 NEDSBHUVAMMKQD-IRXDYDNUSA-N 431.802 5.613 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCC[C@@H]1OCc1ccccc1 2043761020 FHZYIGPBXJOBKS-JYFHCDHNSA-N 436.552 5.858 30 10 IKEE C=CCN(C[C@H](Cc1ccc(Cl)c(Br)c1)NCC)C(=O)OC(C)(C)C 2047970364 JSBMQAUFMDXILB-HNNXBMFYSA-N 431.802 5.046 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCCN(C(=O)OC(C)(C)C)C2)cc1 2053104212 WAZKWKFYFHZOMG-XMMPIXPASA-N 445.560 5.120 30 10 IKEE CCCC[C@](C)(C#N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071350271 WZXSJPBAOVYNOM-WUFINQPMSA-N 429.560 6.598 30 10 IKEE Cc1ccc([C@H](C2CC2)n2nc(C(C)C)c(/C=N/O)c2I)cc1C 2079101590 FHERCZSVNIWSKW-FWOHHPOZSA-N 437.325 5.035 30 10 IKEE Cc1ccc([C@@H](C2CC2)n2nc(C3(C)CC3)c(C#N)c2I)cc1C 2079131055 NHUXMXKMGVCREL-QGZVFWFLSA-N 431.321 5.027 30 10 IKEE ON=Cc1c(C2CC2)nn([C@@H](c2ccc(C(F)(F)F)cc2)C2CC2)c1Br 2079856552 UWZFZZUJTXEPQS-MRXNPFEDSA-N 428.252 5.349 30 10 IKEE CCOC(=O)c1c(C(F)(F)F)nn([C@@H](CC)c2ccc(C(F)(F)F)cc2F)c1Cl 2079971161 CHZCJIWAWKCXDZ-NSHDSACASA-N 446.750 5.889 30 10 IKEE Cc1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)sc1Br 2082340446 ZOFBBEXMKSZZLJ-CQSZACIVSA-N 425.323 5.965 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Br)c(Cl)c1F 2102884539 VUVHIAMMZLAVEM-PBHICJAKSA-N 447.776 5.199 30 10 IKEE COCCCN(Cc1ccccc1)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(F)(F)F 2116146679 VGCARGBWXWQKIE-UHFFFAOYSA-N 449.322 5.048 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)ccc1C 2137751626 HYPBPBWJRXYCRY-RBUKOAKNSA-N 425.411 5.658 30 10 IKEE CC(C)N(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(Br)c1C#N 2174808817 SCVXEDCVKQSLND-UHFFFAOYSA-N 436.394 5.183 30 10 IKEE CCCN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(C#N)c(Br)c1 2174810468 MTLVCSOUVUBDDM-UHFFFAOYSA-N 436.394 5.184 30 10 IKEE CC(C)N(C[C@H]1CCCN(c2cc(Br)ccc2C#N)C1)C(=O)OC(C)(C)C 2174814472 IKLKNHOHEMTBDJ-INIZCTEOSA-N 436.394 5.183 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NC)c1c(NC(=O)OC(C)(C)C)cc(OC)cc1OC 2224057251 JGZMZMWOELYSCZ-HSZRJFAPSA-N 442.556 5.084 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)c(Cl)c1 2247912583 IWAGVLJPDXHHBI-UHFFFAOYSA-N 436.745 5.252 30 10 IKEE C=CCCC1(C(=O)c2c(F)cc(C)cc2Br)CN(C(=O)OC(C)(C)C)C1 2266225457 FHMBANLYSHHGDT-UHFFFAOYSA-N 426.326 5.283 30 10 IKEE CC(C)N[C@@]1(C#N)CCCC[C@H]1CCN(CCN(C)Cc1ccccc1)Cc1ccccc1 2273186742 BHUCCFHLAVFELI-URLMMPGGSA-N 446.683 5.461 30 10 IKEE C=CCCCC[C@H](NCC)[C@@](C)(O)c1cc(Br)c(Br)s1 2281283834 VMQLBXPUYNRBHY-SWLSCSKDSA-N 425.230 5.205 30 10 IKEE CCN[C@@H](C#CC1CCCCC1)c1ccc(I)c(Br)c1 2289791106 MSRKGUWCSVMVGC-KRWDZBQOSA-N 446.170 5.288 30 10 IKEE Cc1ccc2nc(N3C(=O)C(=O)C(=C(O)c4ccccc4)[C@@H]3c3ccccc3)sc2c1 2296135957 KHRNUCZVOCCLJL-NRFANRHFSA-N 426.497 5.231 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H](CC=C(C)C)NC(=O)OC(C)(C)C 2296273524 PKJAAKGKDDMVSW-UXHICEINSA-N 435.406 5.028 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@]1(C#N)CCCN(C(=O)OC(C)(C)C)[C@@H]1C(F)(F)F 2303944269 ZKQMDZOUOLBCRS-YWZLYKJASA-N 449.514 5.104 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC[C@](C#N)(N(C(=O)OC(C)(C)C)c3cccc(F)c3)C2)C1 2317530147 XJUILWLRWGQUFC-DEOSSOPVSA-N 445.535 5.251 30 10 IKEE CCCCOc1ccc(C=Nn2c(CC)nnc2SCc2ccc(Cl)cc2)cc1 2318574708 REMOGXVYRAXTJJ-UHFFFAOYSA-N 428.989 5.847 30 10 IKEE O=C(C=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 2322307804 OSOXNGQBWAKLQS-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2C)c(C)c1 2322572850 AXWLOPWAURMJHU-UHFFFAOYSA-N 447.962 6.487 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccc(C)cc2C)c1 2322659395 CLCQZIIAVOZLCB-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OCc3ccccc3)c2)cc1OCCC 2323118190 DGGYPXBDFQUREO-UHFFFAOYSA-N 430.544 6.739 30 10 IKEE Cc1cc(OC(=O)c2ccc(F)c(F)c2F)cc2c1C(=O)C(=Cc1ccc(F)cc1)O2 2323126921 ZPUKOBBBOQGDOX-UHFFFAOYSA-N 428.337 5.387 30 10 IKEE Cc1cc(OC(=O)C=Cc2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1cccc(F)c1)O2 2323327340 VPCQKOORZMZVJK-UHFFFAOYSA-N 434.850 6.023 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1OCc1cccc(F)c1 2323327418 YRQUCDAOGAKXPZ-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE Cc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1[N+](=O)[O-] 2323336046 ZGPNCGHUAVJVBO-UHFFFAOYSA-N 441.439 5.603 30 10 IKEE CCOc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2)C3=O)cc1OC 2323693463 TUONLZLGZYAEFE-UHFFFAOYSA-N 442.467 5.329 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C 2323805449 FXSKPWDUTPIFJR-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OCC(=O)NCc1ccco1 2324169905 PFUATZSUFUBERI-UHFFFAOYSA-N 447.531 5.393 30 10 IKEE CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1cccs1)C2=O 2324324948 ACRTUEGCXLGESO-HNNXBMFYSA-N 435.501 5.169 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C)cc2)C3=O)cc1 2324451626 HIEQWQUBHMVRQG-SFHVURJKSA-N 443.499 5.334 30 10 IKEE COc1cccc(C=C2Oc3cc(OCc4cc(C)c(C)cc4C)cc(C)c3C2=O)c1OC 2324765189 BGRZBNHHKMQJSE-UHFFFAOYSA-N 444.527 6.133 30 10 IKEE CC(C)CCOC(=O)CCOc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1Cl)C2=O 2325103550 RLYPAZUHKPBQRS-UHFFFAOYSA-N 449.330 5.968 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc(OCc3cccc4ccccc34)c2C)C1=O 2325272787 XLXIWXVAJFLNLZ-UHFFFAOYSA-N 436.507 6.742 30 10 IKEE O=[N+]([O-])c1ccccc1C=Nn1c(Cc2ccccc2)nnc1SCc1ccccc1F 2325485654 DSLNHKLRYBZSRC-UHFFFAOYSA-N 447.495 5.091 30 10 IKEE CCCCOc1ccc(C=Nn2c(CCCC)nnc2SCc2ccc(C)cc2)cc1 2325511315 WYIFFPYYHFAVJZ-UHFFFAOYSA-N 436.625 6.283 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3cc(Cl)ccc3Cl)c2)cc1 2325705433 DSBGFAMZNLKMFZ-UHFFFAOYSA-N 439.338 6.600 30 10 IKEE C[C@H](Oc1ccc(Cl)cc1)C(=O)Oc1cccc(C=CC(=O)c2ccccc2Cl)c1 2325717648 HHPPYZGFRJDRAG-INIZCTEOSA-N 441.310 6.262 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2cccc(C=CC(=O)c3ccc(F)c(C)c3)c2)c1 2325741869 PNNFXJASFGYCTD-UHFFFAOYSA-N 434.463 5.196 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(F)c(C)c3)c2)c1 2325744275 YDEGOEATNFTEBD-UHFFFAOYSA-N 434.463 5.196 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)OCCO4)c2)cc1 2325745603 CHGZSZZVDQIZMM-UHFFFAOYSA-N 442.511 5.871 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3sccc3C)c2)cc1F 2325747987 MZBHEENNAPXWDV-UHFFFAOYSA-N 426.465 5.328 30 10 IKEE COc1ccc(C=CC(=O)c2cccc3ccccc23)cc1OC(=O)c1cccc(F)c1 2325749191 JCGOZXDKSBWNMN-UHFFFAOYSA-N 426.443 6.103 30 10 IKEE CCCc1ccc(OCC(=O)Oc2cc(C=CC(=O)c3ccc(F)cc3)ccc2OC)cc1 2325750897 IDERILLDTYBBBC-UHFFFAOYSA-N 448.490 5.667 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cc4ccccc4n3C)c2)c(C)c1C 2325755750 GTXVMTCQCJTRNC-UHFFFAOYSA-N 439.511 5.919 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)c3ccc(N(C)C)cc3)c2)cc1C 2325771332 OKXNKCSFRXOKPM-UHFFFAOYSA-N 429.516 5.493 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)C=Cc1ccco1 2325917523 BVEPABIADXVXBZ-DEOSSOPVSA-N 442.575 5.416 30 10 IKEE CCCOc1cccc(C=Nn2c(CCCOc3ccc(Cl)cc3)nnc2SC)c1 2325975946 GYTGXOKHAWUXSY-UHFFFAOYSA-N 444.988 5.336 30 10 IKEE CCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccc(OC(C)C)c(Cl)c1 2326592209 RPBVCAKTCMWLOZ-UHFFFAOYSA-N 443.016 6.072 30 10 IKEE CCCCCOc1ccc(C=Nn2c(COc3ccc(Cl)cc3)nnc2SC)cc1 2327506897 CLNNHJBBGAWEGG-UHFFFAOYSA-N 444.988 5.684 30 10 IKEE CCCOc1ccccc1C=Nn1c(COc2c(C)cccc2C)nnc1SCCC 2328559453 DXDXGKYRWZIVNJ-UHFFFAOYSA-N 438.597 5.647 30 10 IKEE Cc1cccc(OCc2nnc(SCCc3ccccc3)n2N=Cc2ccccn2)c1C 2328849900 LTKBPYMTSKJYNO-UHFFFAOYSA-N 443.576 5.086 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@H](NC(=O)C=Cc3ccc(F)cc3)C2)c1 2329208016 ITVGZILXQUJBPK-DEOSSOPVSA-N 449.570 5.098 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2Cl)n1N=Cc1cccc(OCCC)c1 2329576877 ASNQUHHNZZHPCL-UHFFFAOYSA-N 426.973 5.938 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)cc2)n1N=Cc1ccc(Cl)cc1Cl 2329986301 FUJGDRKKICZBKI-UHFFFAOYSA-N 431.392 6.035 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cc(C)ccc3C)n2N=Cc2ccccc2C)cc1 2329995377 MVLHAJDUZOPBKF-UHFFFAOYSA-N 440.616 6.277 30 10 IKEE C=CCSc1nnc([C@H](C)c2ccccc2)n1N=Cc1ccc(OCCCCC)cc1 2330120567 LVJQESISZWZKFX-HXUWFJFHSA-N 434.609 6.159 30 10 IKEE C=CCSc1nnc(CC2CCCCC2)n1N=Cc1cc(Br)ccc1F 2330276513 YJQVBBQMRXZONL-UHFFFAOYSA-N 437.382 5.463 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3cccs3)n2N=Cc2ccc(O)cc2)c1 2330396217 WMNMMWKVKSJIAX-UHFFFAOYSA-N 434.590 5.427 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(-c2ccccc2)n1N=Cc1cccs1 2330679696 YIFZZNVUIGPFOQ-UHFFFAOYSA-N 445.400 6.488 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3ccccc3)cc2)cc1 2330824664 LVLLWQZLOSSVPG-UHFFFAOYSA-N 442.555 6.690 30 10 IKEE CCc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CCCC2)cc1 2331084227 DOVXVTHQHSXCAR-UHFFFAOYSA-N 440.616 6.826 30 10 IKEE FC(F)(F)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccccc1 2331155106 YCUZCOGEFHZZPB-UHFFFAOYSA-N 431.270 5.778 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccco3)c(Br)c2)c1 2331320190 UTXPWWNLGCJOMF-UHFFFAOYSA-N 425.278 5.774 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1 2331494538 ZNQJSIRKLPYTHL-UHFFFAOYSA-N 449.890 6.487 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)c1sccc1C 2331510272 PSDMELOBGNXDJC-UHFFFAOYSA-N 430.884 5.973 30 10 IKEE CN(C)c1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CCC2)cc1 2331527608 KICHSGJVJZPVCR-UHFFFAOYSA-N 425.989 5.440 30 10 IKEE Oc1ccccc1C=Nn1c(SCc2c(Cl)cccc2Cl)nnc1C1CCC1 2331534280 GZEVVWLAWYJJPM-UHFFFAOYSA-N 433.364 5.733 30 10 IKEE CC(C)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccc(C(F)(F)F)cc1 2331688910 SSAPKMWYIBPAKM-UHFFFAOYSA-N 449.458 5.503 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)c1ccc(C)cc1 2331707460 BKCSCMZUZKWLIN-UHFFFAOYSA-N 448.946 6.779 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)COCc1ccccc1 2331716367 YWZVQVPVEDLZRW-UHFFFAOYSA-N 430.500 5.330 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)cc3)c([N+](=O)[O-])c2)c(OC)c1 2331724000 CNCHNSWGYXBCRH-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE COc1cccc(OCC(=O)Oc2ccc(C=CC(=O)c3c(C)cc(C)cc3C)cc2)c1 2331764186 JIGVHHVDOIMCHY-UHFFFAOYSA-N 430.500 5.501 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)COCc1ccccc1 2331780387 ZBMUKHWDERLHAD-UHFFFAOYSA-N 444.527 5.639 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@@H](O)C#Cc2ccc(Br)cc2)c(Cl)c1 2335922152 DULBDOFWKCRXRE-SFHVURJKSA-N 436.733 5.535 30 10 IKEE CO[C@@]1(C)C[C@@H]2C[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2356218495 GMXXBEKTNRBMBK-PBFVBANWSA-N 435.362 5.288 30 10 IKEE COc1ccc(Oc2cccc3c2C(=O)/C(=C/c2ccc(F)cc2)[C@H]3c2ccccc2)cc1 3133487 DBZUMVUNZTXCPW-XKGHIZKOSA-N 436.482 7.038 30 10 IKEE C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](OC(=O)c1ccccc1)c1ccnc2ccc(OC)cc12 4016706 UOXLNYIYPISSFF-TYTZFVCUSA-N 428.532 5.038 30 10 IKEE Cc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2nc(SCc3cccc(Cl)c3)nn21 9856508 YDQRHFWLDWPXQK-OAQYLSRUSA-N 436.968 5.554 30 10 IKEE Cc1cc(C)nc(N/C(=N/C(=O)Nc2ccc(Cl)c(Cl)c2)NCc2ccccc2)n1 14156631 VIYUTPMGXOJEIP-UHFFFAOYSA-N 443.338 5.190 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(C)c2)cc1 21218327 OANCJXDRCBTSQF-ZTOMLWHTSA-N 438.571 6.763 30 10 IKEE CCCOc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(OCC(C)C)cc1)C2 21252035 XVWJTRFOVYVIQB-NZQKXSOJSA-N 447.575 5.515 30 10 IKEE O=C(c1c(-c2ccccc2)c2cc(Br)ccc2[nH]c1=O)[C@H]1O[C@H]1c1ccccc1 32106123 GUNFZMQFFRJZDR-XZOQPEGZSA-N 446.300 5.280 30 10 IKEE N#Cc1nc(/C=C\c2ccccc2)oc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 34782590 PBPZPECVMADTSF-MSUUIHNZSA-N 446.554 5.628 30 10 IKEE O=C(/C=C/c1cccs1)c1ccc(OC(=O)N(c2ccccc2)c2ccccc2)cc1 34954037 UTJGCDBUUQPYBX-ISLYRVAYSA-N 425.509 6.981 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\Oc3cc(C)c(C)cc3C2=O)c(C)c1 39842722 XCFWZMJJEWVFTG-YSMPRRRNSA-N 436.511 6.089 30 10 IKEE Cc1c(/N=N/c2ccc(Cl)c(Cl)c2)c(O)n([C@@H](C)c2ccccc2)c(=O)c1C#N 39871369 ICGHXNCURZYNIX-UYKKPGFNSA-N 427.291 6.066 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1cccc2ccccc12 40085495 DOAIMQMSSSNAQD-XMMPIXPASA-N 429.516 5.535 30 10 IKEE C=CCc1ccc(OCCCCn2c([C@H](O)c3ccccc3)nc3ccccc32)c(OC)c1 40224437 JJCBFZZMLMHQKG-HHHXNRCGSA-N 442.559 5.714 30 10 IKEE CCc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(CCc3ccc(F)cc3)C4)C2=O)cc1 41588017 LARNUDAQZBTLON-QFEZKATASA-N 443.518 5.707 30 10 IKEE Cc1ccccc1NC(=O)c1cnn2c1NC1=C(C(=O)CCC1)[C@H]2c1cccc(Cl)c1 64874261 MELTVQQZSJJIPE-JOCHJYFZSA-N 432.911 5.119 30 10 IKEE O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1)n1nc(SCc3ccccc3F)nc1N2 97964547 XWQOACQKCFUJMI-FQEVSTJZSA-N 440.931 5.385 30 10 IKEE CCCCCCCOc1cccc([C@H]2Nc3ccccc3C(=O)N2CCc2ccccc2)c1 100139817 HCXLJWGASBSNPX-NDEPHWFRSA-N 442.603 6.845 30 10 IKEE CCn1c2ccccc2c2cc(/N=C3\C=C(c4ccccc4)[C@@](O)(c4ccccc4)C3)ccc21 102942892 MOUHOLTUVPPVLV-QNDFFDTBSA-N 442.562 7.262 30 10 IKEE CCCCCCCCSc1nc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)cc2s1 138165961 RBYDFXAPMDTYEB-GQSCTRQFSA-N 440.634 6.060 30 10 IKEE COc1ccc(-c2csc(N/N=C\c3ccc(OC(C)C)c(OC)c3)n2)c(OC)c1 169943086 KZWXBLADXMRFEZ-FMCGGJTJSA-N 427.526 5.069 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc(F)cc2)=C(O)C(=O)N1c1ccc(C)cc1C 169945266 RNQWJFNKBMEGLD-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccc(N(C)C)cc2)c1 169954105 VYMUMJFQFDBXMW-VWLOTQADSA-N 440.543 5.461 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2cccc(C)c2)c1 169966273 FVLJBINNILPIGQ-RUZDIDTESA-N 427.500 5.106 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2cccnc2)c(C)c1 170002464 SAXLQQPZQBDDFP-DEOSSOPVSA-N 442.515 5.305 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccncc2)c1 170025748 LYUDPQPMAGAXTM-AREMUKBSSA-N 448.522 5.630 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(Cl)cc1)c1cccc2ccccc12 170059778 ICRBQLDDVFAXDH-DEOSSOPVSA-N 445.946 6.404 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccc(F)cc2)ccc1F 170064341 NPVWHGVMGGEMGY-NRFANRHFSA-N 441.380 5.334 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@@H]1c1ccccc1OC 170125116 IAKMESKLBYSYKC-FQEVSTJZSA-N 443.927 5.044 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1cccc(C)c1 170140649 VUPKYJXWEORZMZ-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccs2)cc1C 170158187 ZLKNCKFFZBWGJV-MWTRTKDXSA-N 445.540 5.471 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2cccnc2)cc1 170188963 IRRAJGVBFKQPGL-JOCHJYFZSA-N 448.906 5.307 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2cccnc2)cc1Cl 170190352 UHIBEVYBYWWTJU-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCC2)cc1 170214693 NLBCEZVEHBEAOJ-OAQYLSRUSA-N 425.912 5.260 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@H]1c1ccc(F)cc1 170243381 AGKYEXJESPUNQI-OAQYLSRUSA-N 425.500 5.120 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccccc2F)c1 170248563 HINIMJXLDJRJJH-XMMPIXPASA-N 445.490 5.704 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2C)cc1 170272506 QDVYYWZSLJWUKB-VWLOTQADSA-N 441.527 5.875 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1ccccc1C 170275826 YBDBCZDJZPVUFP-QHCPKHFHSA-N 435.564 5.216 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4cccc(OC)c4o3)[C@H]2c2ccco2)cc1 170283452 MPVSXZWAUGRFPA-JOCHJYFZSA-N 443.455 5.380 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1c(C)[nH]c2ccccc12 170312283 JWQKPFSLJRUVPY-DEOSSOPVSA-N 446.547 5.499 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1cccc(Oc2ccccc2)c1 170456336 YVGLNXBSXGKNFD-RUZDIDTESA-N 443.499 5.700 30 10 IKEE N#Cc1cnn(-c2ccc3ccccc3n2)c1NC(=O)/C=C/c1ccc(Cl)c(Cl)c1 170536722 RVXJHMKBTUAICU-UXBLZVDNSA-N 434.286 5.251 30 10 IKEE COc1ccc(/C=N/n2c(Cc3cccs3)n[nH]c2=S)cc1OCc1ccccc1 209749577 ISQZHVVAJADXOC-OEAKJJBVSA-N 436.562 5.063 30 10 IKEE CCCCCCCCCC(=O)c1cc(Br)ccc1I 232910061 MVYQUJJROIBMMM-UHFFFAOYSA-N 437.159 6.377 30 10 IKEE C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CCC2=NN=Cc1ccccc1C(F)(F)F 254402155 FHIHDASURXFVSB-KJJHTLAKSA-N 444.585 7.913 30 10 IKEE CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2N=Cc1ccccc1C 254815084 BNVXKJJPSNQWLM-UHFFFAOYSA-N 438.535 5.065 30 10 IKEE CCN[C@H](CC#CC(C)(C)C)c1cc(I)ccc1Br 388752314 AZLOGIKFOAXUOM-OAHLLOKOSA-N 434.159 5.144 30 10 IKEE C=C(COC(C)C)[C@H](NCCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 407151048 HNFPXELTLYFHDB-IBGZPJMESA-N 441.410 5.818 30 10 IKEE Cc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccc(Cl)c2Cl)cc1 526492318 XCRNPSNOXKITQU-JOCHJYFZSA-N 435.310 6.231 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2cccs2)[C@@H]1c1ccc(Br)cc1 526606187 IKCIXXXIKWLMNE-IBGZPJMESA-N 437.318 5.439 30 10 IKEE N#Cc1ccc(NC2=C(Sc3ccccc3)C(=O)N(c3cccc4ccccc34)C2=O)cc1 526658461 MJOLBLPZCRYJGV-UHFFFAOYSA-N 447.519 5.701 30 10 IKEE CCCCCOc1ccc(/C=N\n2c(C)nnc2SCc2ccc(F)cc2)cc1OC 526801190 FEFPQMDNZDJXJG-MYYYXRDXSA-N 442.560 5.478 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2cccc(C)c2)cc1 526806015 WGWRPKZANCBMKX-IMRQLAEWSA-N 426.589 5.855 30 10 IKEE Cc1cccc(CSc2nnc(C)n2/N=C\c2cc(Cl)c(OC(C)C)c(Cl)c2)c1 526808001 MERDBQKOJAJOPU-MYKKPKGFSA-N 449.407 6.163 30 10 IKEE CC(C)(C)c1cc(/C=N\n2cnnc2SCc2ccc(C#N)cc2)cc(C(C)(C)C)c1O 526822358 HVTMJBXUDXIHNY-MUXKCCDJSA-N 447.608 5.625 30 10 IKEE CCOc1ccccc1/C=N\n1c(CC)nnc1SCc1ccc(Cl)cc1Cl 526824256 SFPAVEQPVQEJEA-FMCGGJTJSA-N 435.380 5.721 30 10 IKEE CCCCCCCCOc1c(OCCCCCC)cccc1OC(=O)c1ccccc1 585667657 NJUPXVLMCSBOBY-UHFFFAOYSA-N 426.597 7.604 30 10 IKEE CCCCc1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccccc2Cl)cc1 586225088 IJRKXOZDVOJHCQ-UHFFFAOYSA-N 438.980 5.950 30 10 IKEE Cc1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(C(C)(C)C)cc2)c(F)c1 586253581 KWMGQSOUGJEUHP-UHFFFAOYSA-N 436.552 5.699 30 10 IKEE C=CCN(c1ccc(N2CCC(C)CC2)cc1)S(=O)(=O)c1ccc(OC(C)C)cc1 586255980 CATCYPUTXYIZTQ-UHFFFAOYSA-N 428.598 5.091 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@](C)(C#N)COc1ccccc1 698451064 IKCQXZPRCCTYJP-NRFANRHFSA-N 431.330 5.552 30 10 IKEE C[C@H]1N(C(=O)OC(C)(C)C)CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 698862230 UVYDBQHVVNHMSE-MWTRTKDXSA-N 433.524 5.249 30 10 IKEE C=CC[C@@H](C)[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCC 715791263 XREHEQMHWWRSFQ-FYYLOGMGSA-N 429.649 5.126 30 10 IKEE CCOc1cccc(C=Nc2cc(C(F)(F)F)ccc2OCc2ccccc2OC)c1O 1084223330 HHBNDRQUGRLIKN-UHFFFAOYSA-N 445.437 6.148 30 10 IKEE Cc1cccc(Cl)c1COc1ccc(C=NNc2nc(SCCC(C)C)n[nH]2)o1 1084337872 PSDZFFGNUHMWKA-UHFFFAOYSA-N 433.965 5.523 30 10 IKEE COc1ccccc1CNN=Cc1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 1084490249 KTBMTRSIRRKNHZ-UHFFFAOYSA-N 445.346 5.713 30 10 IKEE CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@H]2/C=N/c1ccccc1/N=C/[C@@H]1C(=O)[C@H]2CC[C@@]1(C)C2(C)C 1088651724 HXEWRZRCECTMFG-MBCCVHDMSA-N 432.608 6.374 30 10 IKEE C=CCN(Cc1nc(O)c2cc(Cl)ccc2n1)Cc1cc(Br)ccc1F 1307449207 LKJFSQOCWNTZLT-UHFFFAOYSA-N 436.712 5.079 30 10 IKEE N#Cc1cc(Br)c(OCc2c(Cl)cccc2Cl)c(Br)c1 1615217139 OHJYYZJVJQSQGE-UHFFFAOYSA-N 435.930 5.969 30 10 IKEE CC(C)O[C@H](CN(Cc1ccc(C#N)cc1)c1ccc2nc(O)[nH]c2c1)c1ccccc1 1642112688 FTGVQDWVQJLQLT-RUZDIDTESA-N 426.520 5.313 30 10 IKEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](C)C(C)(C)C1 1705790747 FNXANTIBUKIDPS-QGZVFWFLSA-N 434.588 5.069 30 10 IKEE CC(C)(C)c1ccccc1NC(=O)c1nc(C(=O)Nc2ccc(C#N)cc2)n2ccccc12 1858242407 ZJRKHULZZHNBHZ-UHFFFAOYSA-N 437.503 5.008 30 10 IKEE C=CCN(CC=C)C(=O)Nc1ncccc1O[C@H](C)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C 1858828035 WCVUBMHIUJBIPT-XWSHUIEDSA-N 443.588 5.059 30 10 IKEE N#Cc1cccc(C(=O)Oc2cccc3c(NC(=O)CCC4CCCCC4)cccc23)c1 1858924940 NDKNCOXZYGNTRV-UHFFFAOYSA-N 426.516 6.230 30 10 IKEE C=CCN(CC=C)C(=O)Oc1cccc2c(NC(=O)COc3cccc(C)c3C)cccc12 1858947182 ASNWPOFVIIAAPU-UHFFFAOYSA-N 444.531 5.647 30 10 IKEE CC(C)Cc1c(Cl)c(C(=O)Nc2ccc(C#N)cc2)nn1Cc1ccc(Cl)cc1 1859378460 GJXCTKIJTFKGFT-UHFFFAOYSA-N 427.335 5.561 30 10 IKEE C=CCOc1ccccc1OCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 1859471844 ZDMUPWNWRMKJOD-UHFFFAOYSA-N 434.458 5.278 30 10 IKEE CCOC(=O)c1sc(NC(=O)c2ccc3nc(-c4ccccc4F)oc3c2)c(C#N)c1C 1859735979 GRMMCCKRWIZYTP-UHFFFAOYSA-N 449.463 5.305 30 10 IKEE C=CCOC(=O)c1sc(NC(=O)c2ccc3nc(-c4ccccc4C)oc3c2)nc1C 1859737144 OSHMQBJJJGIJLF-UHFFFAOYSA-N 433.489 5.163 30 10 IKEE C=C(C)Cn1nc(C)c(CCC(=O)N[C@H](c2nc3ccccc3n2C(C)C)C(C)C)c1C 1860323157 XULNSKOPAODJKB-VWLOTQADSA-N 435.616 5.453 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1 1860729385 GFTPPIABRRPFLT-XMHGGMMESA-N 449.506 6.279 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc(F)c2)cc1 1862391197 VLWKXRHCLZNSME-XMMPIXPASA-N 435.539 6.079 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@H](C)c2ccccc2)c1 1862413271 YYSXHOWTABTDPE-WAIKUNEKSA-N 433.454 5.613 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@H]1c1cccc(O)c1)c1ccccc1Cl 1862430901 VGRBYTWHXUXJDK-QFIPXVFZSA-N 439.939 5.737 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862477786 RPHFAQUCARWBLH-BSDZUQITSA-N 428.532 5.633 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2cccc3ccccc23)cc1 1862481153 XXRKJJPVXMUJBM-MHZLTWQESA-N 447.534 5.969 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccc(F)c1 1862488634 FBJNZZZLXQJXDB-DEOSSOPVSA-N 437.555 6.381 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCCOC(C)C)cc1 1862501512 DRNVNRPPVMZZAC-HSZRJFAPSA-N 439.527 5.090 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@H]2c2ccc(F)cc2)cc1 1862529906 LBIFLOAXSARVAC-DEOSSOPVSA-N 445.490 5.175 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2ccccc2)cc1 1862535004 ZEOCFIXTJXEKDE-VWLOTQADSA-N 425.528 5.460 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(C(C)C)cc1 1862596619 VRSIDSKDWQRVNC-RCZVLFRGSA-N 449.591 6.453 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2F)cc1 1862614492 BYDBWPYZBGNUJW-HSZRJFAPSA-N 444.506 5.297 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(Cl)cc1Cl 1862632630 SNVYTBOTMVIBCB-IBGZPJMESA-N 448.302 5.101 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc(Cl)c1 1862654455 YDIRFNQSVCSLGU-XMMPIXPASA-N 447.962 6.652 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1ccc(Cl)cc1Cl)c1cccc2ccccc12 1862658196 NTIIAWHTADGHBR-NRFANRHFSA-N 438.310 5.887 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccc(F)cc2F)cc1 1862659816 BFJFXQLXBCXKIA-HSZRJFAPSA-N 448.469 5.262 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)cc1 1862664119 WETYMIUZEJYEDQ-YQIFXUADSA-N 445.603 6.529 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2cccc(F)c2)cc1 1862687956 QEJLEENYWHQUMA-HSZRJFAPSA-N 437.511 5.526 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccccc1C 1862699714 WYEVHLYWUPQNAO-GBXCKJPGSA-N 435.564 5.941 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 1862735543 NLAKVURAUVOAST-OAQYLSRUSA-N 438.455 5.035 30 10 IKEE CCCOc1ccccc1N1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(C)cc2)C1=O 1862893859 ZHHDDSYLNGVIDO-UHFFFAOYSA-N 437.499 5.052 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(C)cc2)=C(c2ccccc2F)C1=O 1863295416 WINXDAWZOBCBQU-UHFFFAOYSA-N 436.571 6.467 30 10 IKEE CCCCCCCCCCNC1=C(c2cc(C)ccc2C)C(=O)N(Cc2ccco2)C1=O 1863736037 JLZPWAJUOJNARP-UHFFFAOYSA-N 436.596 5.907 30 10 IKEE Cc1ccc(C)c2c1C[C@@H](C)CN2c1cc(Nc2ccccc2C#N)nc(-c2ccccc2)n1 1868373472 VZXWLHJMZZCGCA-LJQANCHMSA-N 445.570 6.706 30 10 IKEE C=CCn1cc(OCCCCOc2ccc(C)cc2)c(=O)cc1CN(CC)CCCC 1870319562 IRKBNHWYFHIFRO-UHFFFAOYSA-N 426.601 5.203 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCCCCC)cn1CCCCc1ccccc1 1870676480 IEEGQEIYJQMLLV-UHFFFAOYSA-N 436.640 6.004 30 10 IKEE CCCCCCCCn1cc(OCCCOc2ccc(C)cc2)c(=O)cc1CN(C)C 1870778028 XLBUNQCAPCZAHG-UHFFFAOYSA-N 428.617 5.427 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc3c2CN(CCc2ccccc2)CO3)C1=O 1871344537 KGKCTTBRHPXKJK-XYGWBWBKSA-N 427.500 5.096 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc4c3CN(C3CCCCCC3)CO4)C2=O)c(OC)c1 1871347506 DDENTGLQCPRTBK-CFRMEGHHSA-N 435.520 5.195 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2F)C3=O)cc1[N+](=O)[O-] 1871374946 KVKICBPJNYOUHM-MTJSOVHGSA-N 433.391 5.186 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(F)c2)C3=O)CC1 1871383588 UJXQAQCTZIQDAU-JLPGSUDCSA-N 436.523 6.652 30 10 IKEE C=CCN(CC=C)Cc1c(O)cc(C)c2c1O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 1871393436 MVKHQROWJQQPNJ-ITYLOYPMSA-N 437.539 6.158 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1 1871410786 CANSCQBLNZKAFC-YNJLWJOVSA-N 443.499 5.334 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCCCOc4ccc(CC)cc4)cc(C)c3C2=O)cc1 1871413106 TZZDVKHKVHARLL-IMRQLAEWSA-N 442.555 6.584 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCc4ccc(C(=O)OC(C)C)cc4)cc(C)c3C2=O)cc1 1871414845 QCOJPIUMDHVHIQ-QFEZKATASA-N 442.511 6.064 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2C)C3=O)c(C)c1 1871418997 YMJHKTWWQWDMTF-OYKKKHCWSA-N 427.500 5.554 30 10 IKEE Cc1ccc(NC(=O)CCOc2ccc3c(c2C)O/C(=C\c2sccc2C)C3=O)cc1 1871432342 FPHHCCRBIFAIEK-STZFKDTASA-N 433.529 5.697 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OCC(=O)Nc3ccc(Cl)cc3)cc(C)c2C1=O 1871440802 IPSSZAAVDNRDJV-ODLFYWEKSA-N 439.920 5.652 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)[C@@H](C)CC)S(=O)(=O)C1CC1 1872339728 UNCCMBVVNYQHTM-CYFREDJKSA-N 448.673 5.657 30 10 IKEE N#C[C@H](C(=O)c1cccc2ccccc12)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872759763 YZAXWNMOOXUWFW-RUZDIDTESA-N 430.532 7.120 30 10 IKEE CC(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Br)cc3)cs2)c1 1872764912 AWCJMUMYPTZNOH-QGZVFWFLSA-N 440.322 5.021 30 10 IKEE N#C[C@@H](C(=O)c1cccc2ccccc12)c1nc(-c2ccc(Br)cc2)cs1 1872765557 RKRMZQBGNOXLER-IBGZPJMESA-N 433.330 6.216 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@@H](C#N)C(=O)[C@@H](C)Oc2ccc(Cl)cc2)n1 1872780459 IVVPVKKMOFPJQX-BEFAXECRSA-N 440.952 5.733 30 10 IKEE COc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1 1872780746 LZEGKLYIJWLVOK-JOCHJYFZSA-N 448.588 6.088 30 10 IKEE CCCCCCCCNC(=O)c1cccc(COc2c(F)c(F)c(F)c(F)c2F)c1 1872842706 QXARSVDMFSVYGH-UHFFFAOYSA-N 429.429 6.051 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(OCC)c2)=C(c2ccc(F)cc2)C1=O 1873352500 GCLQCWXOWFHKJH-UHFFFAOYSA-N 438.543 5.777 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(C)cc1)n2CC(C)C 1873620170 XLQNTFVDNYRSBJ-UHFFFAOYSA-N 435.616 6.420 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(Cl)c2C)cc2c(NCc3ccccc3F)ncnc21 1873637363 WAWCZTRSBKXWIS-UHFFFAOYSA-N 449.917 5.583 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(Cl)c2C)cc2c(NCc3ccc(O)cc3)ncnc21 1873641245 ILVJVPGOPNBLDY-UHFFFAOYSA-N 447.926 5.149 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1cc(C)ccc1O 1874230580 QRSTYJWGLQUIDO-BHGWPJFGSA-N 442.972 5.383 30 10 IKEE COc1ccccc1CCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccccc1 1874311325 INNKDFFNQMYFSN-WPWMEQJKSA-N 446.551 5.386 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccco2)cc1C 1874319643 BLYAUMDTOMYPEP-DHRITJCHSA-N 436.512 5.381 30 10 IKEE C=CCSc1nnc(COc2cccc(C)c2C)n1/N=C/c1c(F)cccc1Cl 1874324427 DUXYGVWBSMCFQF-WYMPLXKRSA-N 430.936 5.427 30 10 IKEE C(=N/n1c(CCOc2ccccc2)nnc1SCCc1ccccc1)\c1cccs1 1874346513 SICRNZXPIAGZIC-HKOYGPOVSA-N 434.590 5.178 30 10 IKEE Cc1ccccc1/C=N/n1c(COCc2ccccc2)nnc1SCCc1ccccc1 1874355679 WGHGDNRSJRWQGG-OVVQPSECSA-N 442.588 5.520 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2C)n1/N=C/c1c(Cl)cccc1Cl 1874362451 GDKNPNRQTOERIB-DHRITJCHSA-N 445.419 6.229 30 10 IKEE CSc1nnc(Cc2ccccc2)n1/N=C/c1ccc(OCc2ccc(C)cc2)cc1 1874415452 QJALEQAWQRGSLB-YZSQISJMSA-N 428.561 5.360 30 10 IKEE Fc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2cccc(Cl)c2)cc1 1874416183 CUXOMGYBXMJHSI-CVKSISIWSA-N 436.943 5.836 30 10 IKEE CCCOC(=O)CSc1nnc(-c2cccs2)n1/N=C/c1cccc2ccccc12 1874425289 ADBWKEYZJYQHJB-OEAKJJBVSA-N 436.562 5.087 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccccc3)n2/N=C/c2ccc(Cl)cc2)c1 1874428758 ZZVODSMYCPEASO-CVKSISIWSA-N 432.980 6.390 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2ccc(F)cc2)nnc1C(F)(F)F 1874459409 LXVWYIJDOOTVBE-BRJLIKDPSA-N 436.434 5.175 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1/N=C/c1ccccc1C 1874475778 REXNOOLIEKZNAY-MFKUBSTISA-N 435.597 5.159 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccccc1O 1874492229 FGEMDNNWLXDZLV-FOKLQQMPSA-N 435.380 5.664 30 10 IKEE C=CCSc1nnc(C2CC2)n1/N=C/c1ccc(OCc2ccc(C)cc2)c(OC)c1 1874521189 GQXZDUBKZRSLBL-MFKUBSTISA-N 434.565 5.212 30 10 IKEE CCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1ccc(Br)cc1 1874527059 UNSWRGQLWGGBPF-WSDLNYQXSA-N 429.387 5.394 30 10 IKEE O=C(COc1ccccc1/C=C/C(=O)c1ccc(-c2ccccc2)cc1)NCc1ccco1 1874571060 UUMSIRVESALFRH-WUKNDPDISA-N 437.495 5.538 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(CC)cc2)cc1 1874572235 CJHQAEHNFJOWNS-RVDMUPIBSA-N 447.962 6.378 30 10 IKEE CCCN(CCC)C(=O)COc1ccccc1/C=C/C(=O)c1ccc(Br)cc1 1874574337 HVUIVYIQMOBGBV-SDNWHVSQSA-N 444.369 5.373 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3c(C)cccc3C)c2)cc1Cl 1874600161 XDYFDYIQECWHHO-ZRDIBKRKSA-N 449.934 5.879 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OCc2cc(C)ccc2C)cc1 1874624651 NYPOGMRYMZRRRX-RVDMUPIBSA-N 428.572 7.085 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2cccc(/C=C/C(=O)c3cccc(OC)c3)c2)cc1 1874695363 XECOPEZLFIWJQZ-SAPNQHFASA-N 444.527 5.918 30 10 IKEE Cc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(Br)cc3)c2)cc1C 1874697434 YEAUJPHYJLLDOK-MDWZMJQESA-N 449.344 6.110 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1Cl 1875097370 IEFOTSCMLXVHAQ-GXDHUFHOSA-N 430.931 6.643 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)c(C)c3)c(Cl)c2)cc1 1875099879 CYPDCTLVNQTAEY-KPKJPENVSA-N 436.910 6.394 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)c(C)c3)c(Cl)c2)cc1C 1875107208 FTTNKFDCWQVUKR-JXMROGBWSA-N 448.946 6.318 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cnccn2)c(Cl)c1)c1ccc(Br)cc1 1875109878 JBKLXFNMRSBXHA-LREOWRDNSA-N 443.684 5.008 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)[C@@H](C)c1ccccc1 1875116164 OGVOCBUKUPGWHA-DWCFMXGVSA-N 445.471 5.599 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)c1ccccc1C 1875121914 NGBCWQXNGYNJJB-BUHFOSPRSA-N 446.930 6.501 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccccc1 1875132514 GCEHIEHKJJQMAI-XYOKQWHBSA-N 441.310 6.507 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(C)c(C)c3)c([N+](=O)[O-])c2)cc1 1875135956 PZSNGVAUPMFCBQ-KPKJPENVSA-N 445.471 5.401 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)c1ccccc1Cl 1875140713 UHGYDZSSACRFOC-ACCUITESSA-N 434.919 6.471 30 10 IKEE COCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1OC 1875166141 RZHKAOFHWPYBRA-BQYQJAHWSA-N 430.928 5.420 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2ccc(OC(=O)CCCSC)cc2)cc1Cl 1875173155 HQXRLSBQAXRIEH-DHZHZOJOSA-N 434.941 5.302 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3)cc2)cc1Cl 1875173420 LWNNDIMEVCEALM-JLHYYAGUSA-N 436.891 5.401 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3)c(Cl)c2)c(OC)c1 1875178591 RHBBQWMQHNEHGO-XYOKQWHBSA-N 436.891 5.401 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)[C@H](C)c2ccccc2)cc1 1875184633 JJHMEERXVURUCE-IYYMRFBLSA-N 426.556 6.898 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N1C[C@@H](C)C[C@@H](C)C1)n2CCC 1875205662 XYGQXOPRSAGQRJ-BGYRXZFFSA-N 427.637 5.732 30 10 IKEE C=C(COCc1ccccc1)[C@H](NC)c1csc(Br)c1Br 1922107465 MCUPBOLXZPELQR-HNNXBMFYSA-N 431.193 5.307 30 10 IKEE C=C(CC)CNc1cc(Br)c(I)c(Br)c1 1931648659 ATEKKFPQESKLOB-UHFFFAOYSA-N 444.936 5.194 30 10 IKEE CN(CCN(Cc1ccccc1)c1cccc(Br)c1C#N)Cc1ccccc1 1932082544 WLUJDHWUZGXMCB-UHFFFAOYSA-N 434.381 5.459 30 10 IKEE Cc1cc(F)c([C@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)c(Br)c1 1954140656 QOSRJMXQRCJCJS-SFHVURJKSA-N 433.321 5.899 30 10 IKEE CCCCCCCC[C@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 2035465883 XAJIHPUCKHOCHR-JWQCQUIFSA-N 448.692 6.605 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2CC(C#N)(N(C(=O)OC(C)(C)C)c3cccc(F)c3)C[C@H]2C1 2040987242 APQPKSBJHORXQE-IRXDYDNUSA-N 445.535 5.106 30 10 IKEE CN(C(=O)OC(C)(C)C)C1CCC(C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)CC1 2048955333 DOQLFGLXGRZGLU-UHFFFAOYSA-N 449.636 6.018 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2070600210 ADSXIZCHILZCPV-MZNJEOGPSA-N 447.551 5.497 30 10 IKEE CC[C@](C#N)(C(C)C)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071349909 UAAMIQHMPYYMKJ-NSOVKSMOSA-N 429.560 6.454 30 10 IKEE CC(=O)Oc1ccc([C@@H](n2nc(C3(C)CC3)c(C#N)c2Br)C(C)(C)C)cc1 2080079188 DKFPIMTXQLKTKI-GOSISDBHSA-N 430.346 5.130 30 10 IKEE CCCCCCC[C@H](NCC)[C@H](O)c1scc(Br)c1Br 2150562457 ASKVGSSQGJAFTJ-JSGCOSHPSA-N 427.246 5.645 30 10 IKEE C=CCC1(Nc2cc(Br)nc(C(C)C)n2)CCN(C(=O)OC(C)(C)C)CC1 2162406317 CYYXOELFTXPINZ-UHFFFAOYSA-N 439.398 5.120 30 10 IKEE C[C@H](NCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1ccc(C#N)cc1 2191232055 RJUKOTIKHOVJAL-QHCPKHFHSA-N 448.566 6.567 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](Nc2cc(Br)ccc2C#N)C[C@H]1C1CCC1 2194110716 DRQYQIMHRTXEOU-HKUYNNGSSA-N 434.378 5.301 30 10 IKEE C[C@@H]1CC[C@@]2(CSC(=Nc3c(Br)cc(Cl)cc3Br)N2)C1 2194675125 ZJIFSJZVDZZBDR-CLAHSXSESA-N 438.616 5.748 30 10 IKEE C=C(c1ccccc1)[C@@H](NCC)c1ccc(Br)cc1I 2207273387 UNFLXCJQBLSBPU-QGZVFWFLSA-N 442.138 5.418 30 10 IKEE C=CCCCCCCC[C@@H](N)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2220087802 JUDPYKGTEOSEIC-XMMPIXPASA-N 443.676 5.790 30 10 IKEE CC(C)(C)OC(=O)N(CC1CC1)[C@@H](C#N)c1cc(C(F)(F)F)ccc1Br 2228088401 KLAVFTURNSYVNH-HNNXBMFYSA-N 433.268 5.680 30 10 IKEE C=CCC1(Nc2cc(Br)cc([N+](=O)[O-])c2)CCN(C(=O)OC(C)(C)C)CC1 2234339671 LLXMLGXFRGXMNR-UHFFFAOYSA-N 440.338 5.115 30 10 IKEE CC1(C)OB(c2cc(C(=O)N(Cc3ccccc3)C3CCCCC3)cs2)OC1(C)C 2247926018 LEXSGQLTLDVVHN-UHFFFAOYSA-N 425.403 5.022 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)C[C@H]2CCCC[C@@H]21 2253872415 UPMRMBPKGKVMQP-AOUJKTHWSA-N 447.620 5.628 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CCC[C@H](C1)[C@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 2258090855 LBCSPFDLQOHWEW-LNQXKSOZSA-N 447.620 5.532 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1csc(C2CC2)c1 2267881113 FNIMFJNPKFEAJS-QGZVFWFLSA-N 433.371 6.394 30 10 IKEE CC(C)(C)OC(=O)NCc1ccc(CNc2c(Br)cccc2C#N)c(F)c1 2285182804 OVHSJAUTLBYZIC-UHFFFAOYSA-N 434.309 5.097 30 10 IKEE Cc1ccc(C=C2SC(=Nc3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)cc1 2293100709 WYFIMJBZABAQJN-UHFFFAOYSA-N 437.568 6.323 30 10 IKEE C/C=C/C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C#Cc1cccc(Br)c1)NCCC 2296265727 AHTHXHVXMMMJIP-IKGYGIMUSA-N 435.406 5.028 30 10 IKEE COc1cccc(COc2ccc3c(c2)OC(=CC2=Cc4ccccc4O[C@@H]2C)C3=O)c1 2296844823 KLOVVVTVQKMDMX-QGZVFWFLSA-N 426.468 5.598 30 10 IKEE CCCCCCC[C@](C)(NCCN(OCc1ccccc1)C(=O)OC(C)(C)C)C(=O)O 2306140315 MGOBWEIDBHVOFI-DEOSSOPVSA-N 436.593 5.149 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccccc2O)cc1 2318574492 MHJBCYVYYKULQS-UHFFFAOYSA-N 428.561 5.252 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccc(OCC)c(Cl)c1 2318575142 ZSAGXMLFPBFMRW-UHFFFAOYSA-N 443.016 6.156 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(F)cc1)C3=O)CN(Cc1ccc(Cl)cc1)CO2 2322305554 VIDMPNLFODKWPZ-UHFFFAOYSA-N 435.882 5.756 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1ccccc1Cl)c1ccc2ccccc2c1 2322326394 HWFMBGVAXSZYPK-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE COc1cccc(C=CC(=O)c2cc(C)ccc2C)c1OCC(=O)N[C@@H](C)c1ccccc1 2322617647 XXFRPOBSGOKBBS-NRFANRHFSA-N 443.543 5.464 30 10 IKEE COc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)c1 2322724573 CTNUXJLYJHFWCP-UHFFFAOYSA-N 428.484 5.962 30 10 IKEE O=C(C=Cc1cc(Br)ccc1OCc1ccccc1F)c1ccc(F)cc1 2322747906 FZDNVZCBIZPSQT-UHFFFAOYSA-N 429.260 6.202 30 10 IKEE CCc1ccc(NC(=O)COc2ccccc2C=CC(=O)c2c(C)cc(C)cc2C)cc1 2322945341 VVUQVPNFNADPJW-UHFFFAOYSA-N 427.544 6.088 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3F)c(Br)c2)cc1 2323628624 KOYHFGZAPBINPP-UHFFFAOYSA-N 441.296 6.072 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)Oc1cc(C)c2c(c1)OC(=Cc1ccco1)C2=O 2323672210 ZJIOPCKFPKDURH-UHFFFAOYSA-N 445.254 5.739 30 10 IKEE Cn1cc(C=C2Oc3cc(OC(=O)CCOc4ccccc4)ccc3C2=O)c2ccccc21 2323680721 ONBKHXSHQQZHLT-UHFFFAOYSA-N 439.467 5.169 30 10 IKEE Cc1ccc(COc2ccc(C=CC(=O)c3ccc(Cl)c(Cl)c3)cc2Cl)cc1 2323882141 GDRAIZUEEUAWEG-UHFFFAOYSA-N 431.746 7.430 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4ccc(OC(=O)C(C)C)cc4)ccc3C2=O)cc1 2323933581 MYVCCLBNHLLKTJ-UHFFFAOYSA-N 442.467 5.392 30 10 IKEE COc1cccc(C=C2Oc3c(CN(Cc4ccccc4)C(C)C)c(O)cc(C)c3C2=O)c1 2324014301 CNBSSSOWWKPVRI-UHFFFAOYSA-N 443.543 5.736 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(OC)c1OCc1cccc(C)c1 2324097904 PATUAHNUEDMSJD-UHFFFAOYSA-N 442.511 5.936 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2cccc3ccccc23)cc1OC 2324151852 SMUZYBSHMOCLOL-UHFFFAOYSA-N 445.559 5.772 30 10 IKEE N#C[C@@H](C(=O)C=Cc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc3c(c2)CCCC3)cs1 2324356778 WQUNXBNPHVDTSA-NRFANRHFSA-N 429.501 5.487 30 10 IKEE Cc1cc(OC(C)C)cc2c1C(=O)C(=Cc1cc(Br)cc3c1OCOC3)O2 2324738231 LKOAYUICYBLXBE-UHFFFAOYSA-N 431.282 5.027 30 10 IKEE COC(=O)c1cccc(COc2cc(C)c3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)c1 2324745330 SFGMMEXIJHABJZ-UHFFFAOYSA-N 434.875 5.630 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)C=Cc2cccc(Cl)c2)n1 2324794740 MBQTZSMNWSRRFU-NRFANRHFSA-N 434.992 6.959 30 10 IKEE COc1ccc(Cl)cc1NC(=O)COc1ccc2c(c1)OC(=Cc1ccc(C)cc1)C2=O 2325708668 VDKXCPARQASAEX-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cnc(C)cn3)c2)cc1 2325710321 TZRPELOFUHHPKU-UHFFFAOYSA-N 430.504 5.252 30 10 IKEE CCCC(=O)Oc1cc(C=CC(=O)c2ccc(OC)c(C)c2)c(Br)cc1OC 2325714262 DQSRANHQVBWZTH-UHFFFAOYSA-N 447.325 5.376 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccccc2-c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 2325722499 AAUWTAQONLWXIP-UHFFFAOYSA-N 449.462 6.377 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccncc3)c2)c(OCC)c1 2325762320 TUECMXVBESMCDS-UHFFFAOYSA-N 447.487 5.003 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(OCC(C)C)cc1 2326356968 WKOPJEICLRYMRI-UHFFFAOYSA-N 428.989 5.703 30 10 IKEE CCCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1N=Cc1c[nH]c2ccccc12 2326797969 JYGHBFZVRAWCKQ-UHFFFAOYSA-N 447.564 5.063 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3Cl)n2N=Cc2cccnc2)c1 2327931633 AMLJALVTHNTAEM-UHFFFAOYSA-N 447.995 5.595 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2)n1N=Cc1ccccc1Cl 2328745053 UUYAHVNVIOACLO-UHFFFAOYSA-N 426.973 5.494 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2)n1N=Cc1ccc(C(F)(F)F)cc1 2328754129 QBPMSPCFSPCLLU-UHFFFAOYSA-N 446.498 5.469 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(Cl)cc3)n2N=Cc2ccccc2O)c1 2329082255 ITIPYCXZRYSHAY-UHFFFAOYSA-N 448.979 5.711 30 10 IKEE Cc1ccsc1C=Nn1c(SCC(=O)OCC(C)C)nnc1-c1ccccc1Cl 2329608595 LJULMGFGEPLFTE-UHFFFAOYSA-N 449.001 5.142 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccccc1 2329777698 VYGGHSORVGWJNG-UHFFFAOYSA-N 436.943 5.836 30 10 IKEE O=[N+]([O-])c1ccc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccccc2)cc1 2330271323 DKIONDNTDSOYQR-UHFFFAOYSA-N 435.553 5.484 30 10 IKEE Cc1ccsc1C=Nn1c(CC2CCCCC2)nnc1SCc1ccccc1Cl 2330275586 WAIOCAYOGDDCKO-UHFFFAOYSA-N 445.057 6.599 30 10 IKEE Cc1cccc(C=Nn2c(SCc3cccc4ccccc34)nnc2-c2ccccc2)c1 2330683401 ZEBWBUMRIDPHAS-UHFFFAOYSA-N 434.568 6.581 30 10 IKEE COc1cccc(C=Nn2c(CC(C)(C)C)nnc2SCc2c(F)cccc2Cl)c1 2330881408 PLLJSIALIUGVMH-UHFFFAOYSA-N 446.979 5.842 30 10 IKEE Fc1ccccc1C=Nn1c(SCc2cccc3ccccc23)nnc1[C@@H]1CCCO1 2330979604 KCZXHXVLLHHDSJ-QFIPXVFZSA-N 432.524 5.596 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2[C@@H]2CCCO2)c1 2330990524 SOFYFWYJOQLQCO-FQEVSTJZSA-N 442.972 5.356 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2cc(C)ccc2C)nnc1C1CCCC1 2331072032 HPIOQAAPCMBVGS-UHFFFAOYSA-N 448.636 6.516 30 10 IKEE Cc1ccc(C)c(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2)c1C 2331138439 OEVGVXTZWLFPEC-UHFFFAOYSA-N 434.919 6.146 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C(C)(C)C)cc1 2331397463 FLZYOASDTYXDFG-UHFFFAOYSA-N 428.989 5.802 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1 2331411125 QSLYBMVANGZPLL-UHFFFAOYSA-N 428.528 6.037 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC(=O)C1CCCC1 2331429819 IIBJRZVZLPFXAB-UHFFFAOYSA-N 446.587 6.713 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1cccc2ccccc12 2331570988 WABIGCZRAXURKC-UHFFFAOYSA-N 444.433 6.242 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)[C@@H](C)c1ccccc1 2331657815 RFMFQNQFKXXBIY-QFIPXVFZSA-N 442.555 6.534 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3)cc2)c(OCC)c1 2331733878 YBVCFPJMQLXRMU-UHFFFAOYSA-N 444.527 5.918 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)cc(Cl)c1OC(=O)C1CCC1 2331859062 FNVUGFGBNRCRDP-UHFFFAOYSA-N 439.722 6.257 30 10 IKEE N#Cc1ccc(NCc2ccc(Cl)c(I)c2)cc1Br 2337228296 VRBMBESGKUIOGE-UHFFFAOYSA-N 447.501 5.191 30 10 IKEE Cc1cc(C)cc(NC(=S)N/N=C2\C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)c1 3041500 JIIDCHBOTURGEC-QYQHSDTDSA-N 448.979 5.194 30 10 IKEE Cc1ccc(/N=C2\S/C(=C/c3cc([N+](=O)[O-])ccc3O)C(=O)N2c2ccc(C)cc2)cc1 15774284 XXUCTMABKHGIMX-QMSJJHEMSA-N 445.500 5.726 30 10 IKEE CSC1=N/C(=N\c2c(C)cccc2C)C2(CCC(C(C)(C)C)CC2)N1c1ccc(C)cc1 20805766 OHRZQEKNZNPWIJ-GNVQSUKOSA-N 447.692 7.856 30 10 IKEE Cc1ccccc1CN1C(=O)[C@](O)(CC(=O)/C=C\c2ccccc2)c2cc(Cl)ccc21 33392544 VBOAJZKGULBSLR-YYFQYTQESA-N 431.919 5.055 30 10 IKEE COc1ccc([N+](=O)[O-])cc1/N=C/c1cc(C)n(-c2ccc(C(=O)O)c(Cl)c2)c1C 59250320 FFVJOLBTPSXEQL-FOKLQQMPSA-N 427.844 5.113 30 10 IKEE CCCCCCCCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(OC)cc2)c1 98021535 CLXMMDGPNTYLCG-VWLOTQADSA-N 440.609 6.163 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)c1sc2ccccc2c1Cl 100061193 FVWWZFZAWXLPRN-UHFFFAOYSA-N 436.105 8.766 30 10 IKEE O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1cccc(/N=C/c2cc(Cl)ccc2O)c1 100456942 OFYJCZVCQPYFOO-OPEKNORGSA-N 436.773 6.516 30 10 IKEE CN1/C(=C/C(=O)COC(=O)c2c(Cl)ccc(Cl)c2Cl)C(C)(C)c2ccccc21 101575610 VHJXXONNHQXPAG-LICLKQGHSA-N 438.738 5.684 30 10 IKEE CC/C(=N\CCc1ccccc1)c1c(C(F)(F)F)[nH]n(-c2nc3ccccc3s2)c1=O 102947835 XQDIFZJEMMZGMK-CVKSISIWSA-N 444.482 5.236 30 10 IKEE CCN1C(=S)N[C@H](c2cccc(OC)c2OCc2ccccc2Cl)C(C(C)=O)=C1C 169933313 BEJYKKFBAZMWSS-OAQYLSRUSA-N 444.984 5.042 30 10 IKEE Cc1ccc(-c2csc(N/N=C\c3ccc(OCCCc4ccccc4)cc3)n2)cc1 169943041 MNZAZDXIGPIKFB-IMRQLAEWSA-N 427.573 6.576 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccc(O)cc2)cc1 169958053 LKAKVEKAOUMVQK-VWLOTQADSA-N 441.527 5.861 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccc(O)cc1)c1c[nH]c2ccccc12 169961551 YUSRUMIZNKZMTO-JOCHJYFZSA-N 444.874 5.310 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccc(O)cc2)cc1 170132998 QJBDLGXYZBKFFM-XMMPIXPASA-N 443.499 5.271 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccs2)c1 170156340 WVPAJOSGXKUQCK-MWTRTKDXSA-N 445.540 5.471 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(OC(C)C)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170172222 NENOMIOQKAWKSD-UHFFFAOYSA-N 437.499 5.051 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccccc2)c1 170226763 YYSQLKLPTVMOQX-QHCPKHFHSA-N 447.918 5.910 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2ccccc2)cc1C 170229693 QOLIECLTVXQCMY-HSZRJFAPSA-N 449.453 5.373 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(F)cc1 170240034 HKHQJRZEUGHISC-QFIPXVFZSA-N 435.426 5.065 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(C(C)C)cc1 170245850 UKLFBPYSYKJRNJ-XMMPIXPASA-N 431.532 6.325 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cccc(O)c1 170261933 NFKWVQKZIDHBBP-XMMPIXPASA-N 447.575 5.909 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2C)c(OC)c1 170272427 HRHWDHDYJBOFGT-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@H]1c1ccco1 170282592 STGOIHAXZFACLJ-QFIPXVFZSA-N 431.488 5.305 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(C(C)(C)C)cc1 170470183 IGCXSDHOQQFAEC-JOCHJYFZSA-N 449.934 6.322 30 10 IKEE CCOc1cccc(CN2C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 170471940 HQGSVBRGIBWCCJ-VWLOTQADSA-N 449.591 5.894 30 10 IKEE CCOc1cccc(/C=C2/Oc3cc(OC)ccc3C2=O)c1OC(=O)c1ccc(C)cc1 210084270 JJHHKZWNSPNIHX-OEAKJJBVSA-N 430.456 5.238 30 10 IKEE COc1cc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cc2c1OCO2 254702738 FBJLPYMCBZFUML-JQANZDRKSA-N 436.592 6.419 30 10 IKEE CC1(C)OB(c2ccc(COc3cc(F)c(Cl)cc3Br)cc2)OC1(C)C 380307792 HKKJLVZGVIDKDU-UHFFFAOYSA-N 441.533 5.120 30 10 IKEE CCCOc1ccc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1OC 526487884 AVIPCZGPEJOZIK-HSZRJFAPSA-N 446.528 5.474 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(C)o2)c1 526605233 PILDITFXQRGOLQ-DEOSSOPVSA-N 428.488 5.696 30 10 IKEE CC(C)c1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(SCc3ccco3)C2=O)cc1 526668917 ZFXZDRSWTILCHK-UHFFFAOYSA-N 443.528 5.405 30 10 IKEE CCCOc1cccc(/C=N\n2c(C)nnc2SCc2c(Cl)cccc2Cl)c1 526814812 SZSBWKITYPPUFQ-FMCGGJTJSA-N 435.380 5.857 30 10 IKEE CCOc1ccc2ccccc2c1C(=O)NCC#CCOc1cccc(C(F)(F)F)c1 585254363 AZGQYRXXILSGIS-UHFFFAOYSA-N 427.422 5.070 30 10 IKEE Cc1cccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(Br)cc2)c1 586205805 UHQDKXRRJLXMPP-UHFFFAOYSA-N 441.350 5.025 30 10 IKEE Cc1cc(Cl)ccc1N(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccccc1Cl 586225686 QWOFDUHSBFVQBH-UHFFFAOYSA-N 431.344 5.569 30 10 IKEE N#Cc1ccc(CN(c2cccc3ccccc23)S(=O)(=O)c2ccccc2Cl)cc1 586226371 YPPQCLMZOCOPID-UHFFFAOYSA-N 432.932 5.760 30 10 IKEE C[C@@H]1CCc2c(sc3ncnc(Nc4cccc(OCc5ccccc5C#N)c4)c23)C1 586473430 WZUWOXSDPJDZMY-MRXNPFEDSA-N 426.545 6.010 30 10 IKEE CCCCCCNC(=O)Nc1cccc(C(=O)Nc2scc(C(C)(C)C)c2C#N)c1 586637667 VCSDETRWIVVALC-UHFFFAOYSA-N 426.586 5.871 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCc2ccccc2C1 698457638 MBSZHDCVHJHCJJ-JOCHJYFZSA-N 427.342 5.642 30 10 IKEE Cc1cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)cc(C)c1O 698481212 DQATYRNBUWBBDS-SFHVURJKSA-N 431.330 5.778 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@H](C#N)c1cccc(Br)c1Cl 706528870 DLQUXJGQMAFQSK-HNNXBMFYSA-N 441.778 6.166 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@@H](C#N)c1ncc(Br)s1 714068650 BNLUAIRXDKPNRV-LBPRGKRZSA-N 428.739 5.565 30 10 IKEE CC[C@@](C#N)(C1CN(C(=O)OC(C)(C)C)C1)N(C(=O)OC(C)(C)C)C1CCCCCC1 716143473 KYDZIRJIGIWVDI-XMMPIXPASA-N 435.609 5.486 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 724068025 CDFUZXBXEWBFGY-OSPHWJPCSA-N 445.560 5.024 30 10 IKEE CC(C)(C)OC(=O)NC1CCC(C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)CC1 724077171 BSTJBSSSJZNUTN-UHFFFAOYSA-N 433.524 5.297 30 10 IKEE Oc1ccc2ccccc2c1C=Nc1cc(C(F)(F)F)ccc1N1CCc2ccccc2C1 1083918264 FGMZNZDZQIKLJU-UHFFFAOYSA-N 446.472 6.878 30 10 IKEE C=CC[C@H]1CCCC[C@@H]1NC(=O)CCSCc1nc(O)c2c3c(sc2n1)CCCC3 1557474571 GSXMPMMENHSPIC-RDJZCZTQSA-N 445.654 5.150 30 10 IKEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)O[C@@H](c1ccc2ccccc2c1)C(F)(F)F 1586747227 CEXNZHYKGFEGKJ-NRFANRHFSA-N 428.410 5.208 30 10 IKEE N#Cc1ccc(NC(=O)c2cc(-c3cccc4ccccc34)n(-c3cccc(Cl)c3)n2)cc1 1859390533 CWQCKEIJNCUPMT-UHFFFAOYSA-N 448.913 6.470 30 10 IKEE CCCCCCCCCOc1cccc(NC(=O)Cc2ccc(Br)s2)c1 1860136385 CUMFQRZKWMRFEB-UHFFFAOYSA-N 438.431 6.821 30 10 IKEE Cc1ccc(CCCC(=O)Nc2cc(NC(=O)c3cccc(C#N)c3)ccc2Cl)cc1 1860461620 JGMNTINUOMTNEN-UHFFFAOYSA-N 431.923 5.734 30 10 IKEE CCCCCCCCNC(=O)[C@H]1CCCN1C(=O)c1ccc(OCCCCCC)cc1 1861525777 BUPOFVINVUHNHT-XMMPIXPASA-N 430.633 5.727 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(-c3ccccc3)cc2)n(-c2ccc(OC)cc2)n1 1862379047 ZQSKSVXYMJFMHE-UHFFFAOYSA-N 449.554 6.029 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(F)cc1 1862430659 OWVSUKPICQOQFZ-QFIPXVFZSA-N 443.946 6.418 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(OC)c(O)c1 1862435886 HNHYSHVLWRBZIP-NRFANRHFSA-N 443.927 5.213 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccccc2Cl)cc1 1862491133 MPCVMKVLCFPBIF-XMMPIXPASA-N 445.946 6.044 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(C(C)C)cc1 1862492878 CBEIVCNGJPBIFU-RUZDIDTESA-N 433.592 6.585 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1cccc(F)c1 1862525274 YPFNLGSYAPGSFD-IBGZPJMESA-N 446.316 5.213 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(OC)cc2)cc1 1862535837 LDAGEVAUIONBIC-XMMPIXPASA-N 445.490 5.175 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccccc1Cl 1862659994 DJGDADVAFAIABI-JOCHJYFZSA-N 441.955 5.467 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(O)c(O)c1)c1ccc2ccccc2c1 1862711769 BYRFHGMEYPBZJO-XMMPIXPASA-N 443.499 5.162 30 10 IKEE CCCCCCCCCCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1865984784 IJEZKGIWNPGSLB-AREMUKBSSA-N 429.693 6.317 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)NCCCCN1CCN(C)CC1 1866029748 FHJQTORMOYYULE-UHFFFAOYSA-N 437.757 6.392 30 10 IKEE Cc1ccc(-c2nc(Nc3ccc(C#N)cc3)cc(N(C)CC(C)(C)c3ccccc3)n2)cc1 1868329404 BOLBJWIIJVUCTL-UHFFFAOYSA-N 447.586 6.481 30 10 IKEE Cc1ccc2nc3c(cc2c1)CCN3c1cc(Nc2ccc(C#N)cc2)nc(C(C)(C)C)n1 1868356193 UTRBNKXWOSMKPD-UHFFFAOYSA-N 434.547 5.940 30 10 IKEE C=CCOc1cn(CCCCCCCCCC)c(CSCc2ccccc2)cc1=O 1870246350 ZVNZNCXHDSIBEX-UHFFFAOYSA-N 427.654 6.987 30 10 IKEE C=CCn1cc(OCCOc2ccc(C)cc2)c(=O)cc1CNc1ccc(C(C)(C)C)cc1 1871213048 JHFXCWHHYOETJW-UHFFFAOYSA-N 446.591 5.710 30 10 IKEE CC(C)Cn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc2cc[nH]c2c1 1871251823 YHVQPLOALYDJDR-UHFFFAOYSA-N 426.520 5.048 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc4c3CN([C@@H]3CCCC[C@H]3C)CO4)C2=O)c(OC)c1 1871350407 DYMFQPCQRZFFMV-TVZDKZMWSA-N 435.520 5.051 30 10 IKEE Cc1ccc(CCC(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871367582 RWEUXTMRDKHLTM-HAHDFKILSA-N 432.903 6.111 30 10 IKEE CC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)c1 1871390322 QASIWTFYKWXJMW-ZISNKBHRSA-N 426.424 5.004 30 10 IKEE CCc1cccc(CC)c1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O 1871408722 SJHJBNJYOFDSLK-GMPVXANTSA-N 431.488 5.427 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2F)C3=O)c1 1871460339 HRHLYOMTCXNAKN-QRVIBDJDSA-N 431.463 5.385 30 10 IKEE C=CCN(CC=C)c1nc(=NCCc2ccc(F)cc2)nc(Nc2ccc(C(C)C)cc2)[nH]1 1871504781 OJQLEIZZCMVARR-UHFFFAOYSA-N 446.574 5.133 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cccc(C)c1)C(C)C)S(=O)(=O)c1c(C)cc(C)cc1C 1872242851 APMXUKKKGUCBPK-QHCPKHFHSA-N 442.625 5.150 30 10 IKEE CCCCCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 1872763137 FVNTZQLGXUPUSE-OAQYLSRUSA-N 449.532 6.167 30 10 IKEE N#C[C@H](C(=O)CCCOc1ccc2ccccc2c1)c1nc(-c2ccc(F)cc2F)cs1 1872767057 NJJPUYOTHGCEMO-OAQYLSRUSA-N 448.494 6.277 30 10 IKEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccc4ccccc4c3)n2)cc1 1872770035 HNMXHVXPSCZOKT-QHCPKHFHSA-N 426.541 6.307 30 10 IKEE CC(C)Oc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 1872773473 OLFUYULFDXVANK-JOCHJYFZSA-N 432.589 6.314 30 10 IKEE C=CCSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1cccc(F)c1 1874206826 VRSLVUZACWTXFF-FOKLQQMPSA-N 437.327 5.463 30 10 IKEE C=CCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(C(C)(C)C)cc1 1874270044 BNYPWGSGWNXMHL-TURZUDJPSA-N 440.616 6.480 30 10 IKEE CCOc1ccc(/C=N/n2c(Cc3ccc(Cl)cc3)nnc2SCC)cc1OCC 1874339969 WJYZSKMHCZGTHI-BUVRLJJBSA-N 444.988 5.314 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2)n1/N=C/c1cccc2ccccc12 1874395838 WVDWHVUMSRAXMG-JCJHSNGYSA-N 448.595 6.758 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(-c2cccs2)n1/N=C/c1cccnc1 1874425664 TVXCLUNIMPLRBF-FOKLQQMPSA-N 429.933 5.369 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CCC2)c1 1874495945 MTRWJOFASYJTLK-MFKUBSTISA-N 441.000 6.162 30 10 IKEE CC(C)c1nnc(SCc2ccccc2Cl)n1/N=C/c1cccc(Br)c1 1874513836 RVHOCJYJAUYORB-SSDVNMTOSA-N 449.805 5.992 30 10 IKEE CCCOc1ccc(/C=N/n2c(S)nnc2COc2cc(Cl)ccc2Cl)cc1 1874570192 OOKRHZPIFUAJDK-SSDVNMTOSA-N 437.352 5.124 30 10 IKEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1cccc2ccccc12)NC1CCCCC1 1874583404 LOMORFNWUQUTSJ-FYWRMAATSA-N 447.962 6.217 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCc3cccc(C)c3)ccc3ccccc23)c(C)c1C 1874586257 DBLYHPFOKDUDFT-FYWRMAATSA-N 436.551 7.249 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCc2c(Cl)cccc2Cl)c(OC)c1 1874588076 SVQYEYPOANMGKV-JLHYYAGUSA-N 443.326 6.486 30 10 IKEE CCN(CC)C(=O)COc1c(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)cc1OC 1874588225 WVMHYZDKTWYSQH-ZHACJKMWSA-N 429.944 5.109 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)N[C@@H](C)c3ccccc3)c2)cc1C 1874593453 KMUKYVLKYMAGSY-PKHIPVCBSA-N 429.516 5.156 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1cccc(F)c1 1874602142 WTXLRRBYSAXDCY-CMDGGOBGSA-N 441.842 5.871 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccccc1F 1874611025 YAOAYIZGNPWCKS-KPKJPENVSA-N 437.423 5.226 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OCc1cccc(C)c1 1874626410 DJIQPOCIHYJGCL-JLHYYAGUSA-N 430.544 6.494 30 10 IKEE CC(C)COc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3cccc(Cl)c3)c2)cc1 1874699072 BYVBUTRZBWRKSJ-NTEUORMPSA-N 434.919 6.490 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)CCc1ccccc1 1875131940 WQZGJMUWMRXTEP-SDNWHVSQSA-N 444.527 5.755 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)CC(C)(C)C)c(Br)c1 1875143302 STOULAFBPBHLSV-VQHVLOKHSA-N 445.353 6.004 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1ccccc1C 1875157196 RUZISLKSSLSRKC-MHWRWJLKSA-N 428.528 6.632 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2cccc(F)c2)c(Cl)c1 1875170768 PGMUNZAMZWBXFO-VQHVLOKHSA-N 438.882 6.220 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)c1cccc(C)c1 1875175221 DWNAPXBXGRFIMN-ZRDIBKRKSA-N 430.500 5.744 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc1OC 1875192124 VCYKISHBQFHJJM-DTQAZKPQSA-N 446.543 6.629 30 10 IKEE C=CC1(C[C@H](N)[C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCC1 1875670352 ZNYOWRBCCBMUFU-LSYYVWMOSA-N 443.587 5.952 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1C[C@H]2C[C@H]1C[C@H]2NC(=O)OC(C)(C)C 1922068319 HXCDCPUVFQIJPC-QOXFPCGXSA-N 428.617 5.067 30 10 IKEE C=CCC1(NCc2ccc(Cl)c(Br)c2)CCN(C(=O)OC(C)(C)C)CC1 1924542818 OFJUCYUUJPFARQ-UHFFFAOYSA-N 443.813 5.538 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)cc1 1945524710 NPMUTLPTOFHZBC-SXLOBPIMSA-N 429.561 5.274 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1949111877 PRVOMPZDYGDDTG-PNCHPQGNSA-N 447.963 5.373 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)CC12CCC2 2011892647 MZHZJVLEGYEBAQ-DEOSSOPVSA-N 433.593 5.382 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1ccc(Cl)c(Br)c1F 2035952943 GGKTVFVYUBKCQW-BBRMVZONSA-N 435.765 5.362 30 10 IKEE Cc1cc(F)c([C@H](C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)c(Br)c1 2053189765 SSVXFGJMVCLDBU-LBPRGKRZSA-N 425.220 5.261 30 10 IKEE O=C(C=Cc1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(C2CCCCC2)cc1 2053611741 QFICQXIMVRKLIZ-UHFFFAOYSA-N 433.555 6.878 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)Cc2cccc(Cl)c2Br)C1 2062968970 DOGHLNKQAFKHAU-UHFFFAOYSA-N 428.754 5.075 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1(C)C 2068175459 KSPVYQCKCWGIAG-XMMPIXPASA-N 447.551 5.639 30 10 IKEE C=C(COC)[C@H](NCCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071267637 RHPBZNJQKVYBPS-NDEPHWFRSA-N 431.576 6.088 30 10 IKEE CC(C)c1ccc([C@@H](C2CCC2)n2nc(C(C)C)c(C#N)c2I)cc1 2079904827 UNJDEZOVAKBNFQ-HXUWFJFHSA-N 447.364 5.996 30 10 IKEE Cc1cc(C)c([C@H](C(C)C)n2nc(C(C)(C)C)c(C#N)c2I)c(C)c1 2080051988 HGVPRUCKDXMVMI-SFHVURJKSA-N 449.380 5.828 30 10 IKEE CC(C)Oc1ccc([C@H](n2nc(C(F)F)c(C=NO)c2Br)C(C)(C)C)cc1 2080068473 CJQKLTAVPQACPR-INIZCTEOSA-N 444.320 5.814 30 10 IKEE Fc1ccc(-c2cc(Cl)n3nc(C(F)(F)F)c(C4CCC4)c3n2)cc1C(F)(F)F 2081281743 HHERJTZIMDPUQL-UHFFFAOYSA-N 437.746 6.494 30 10 IKEE CC(C)(C)OC(=O)NCC1(F)CCC(CNc2cc(Br)cc(C#N)c2)CC1 2178646662 USSJMDMZYYQYKU-UHFFFAOYSA-N 440.357 5.156 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)[C@H]1C[C@H]1C1CCOCC1 2200289572 BCUNIMQAEPIXIL-GBESFXJTSA-N 435.362 5.145 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Cl)c1)CN(Cc1ccccc1)C(=O)OC(C)(C)C 2212502132 XXNCVIOZXPOAON-QHCPKHFHSA-N 426.988 5.497 30 10 IKEE CN(CCN(Cc1ccccc1)c1ccc(CNC2CCC2)cc1C#N)Cc1ccccc1 2231467329 KKIAZLSJOJTZRE-UHFFFAOYSA-N 438.619 5.339 30 10 IKEE CC(C)(C)OC(=O)N1[C@@H](CNc2cc(Br)cc(F)c2C#N)CCC12CCC2 2233909295 WYOMUNKSAHNRQY-CQSZACIVSA-N 438.341 5.194 30 10 IKEE C[C@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)C#Cc2ccccc2Br)cc1 2235717203 IUYDINNMCXNJAA-HNNXBMFYSA-N 428.326 5.269 30 10 IKEE CCCCCCCCC(=O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237430909 BIZMXXAFHYAFSZ-IBGZPJMESA-N 440.422 6.205 30 10 IKEE CC(C)(C)OC(=O)NC1C[C@@H]2CC[C@H](C1)C2(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 2249366041 GFHGKEKPOFGCGX-YUHQDXEYSA-N 433.593 5.142 30 10 IKEE CC(C)[C@H](C)N(Cc1ccccc1)C(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2255647204 VFIICSMBDQGBII-SFHVURJKSA-N 441.808 5.326 30 10 IKEE COc1ccc(C=CC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OCc1ccccc1 2293594360 HRJLIQNJSLIURR-UHFFFAOYSA-N 434.488 5.196 30 10 IKEE CCCCN1C(=O)C(=C2Sc3ccccc3N2CC)SC1=Nc1cccc(O)c1 2295178708 QOLWMZKVRGKFRI-UHFFFAOYSA-N 425.579 5.557 30 10 IKEE C[C@H]1CCCCN1Cc1c(O)ccc2c1OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2296595918 WUEDDSYVZIQZJQ-IBGZPJMESA-N 425.528 6.050 30 10 IKEE CC(C)Oc1ccc(C(=O)C(=Cc2ccc(N(C)C)cc2)c2nc3ccccc3o2)cc1 2296695661 WCHHTWZHBMKTHS-UHFFFAOYSA-N 426.516 6.105 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)c1 2299174738 TYJCQEFRCCZUCD-OALUTQOASA-N 429.561 5.274 30 10 IKEE CCCN[C@@H](C#CC1(OC)CCCCC1)CN(Cc1ccccc1)C(=O)OC(C)(C)C 2300793178 UEQAWIFYQDGWCI-QHCPKHFHSA-N 428.617 5.145 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(Cl)c(Cl)c2)C3=O)cc1 2314437099 CMABOVDGUGOTPZ-UHFFFAOYSA-N 425.267 6.137 30 10 IKEE Cc1ccc(COc2ccc(C=Nn3cnnc3SCc3cc(C)ccc3C)cc2)cc1 2321286716 KYKVFPMBHHAMKV-UHFFFAOYSA-N 442.588 5.957 30 10 IKEE CCCc1nnc(SCc2ccccc2)n1N=Cc1ccc(-c2ccc(C(C)=O)cc2)o1 2321766823 LJHHOMHVDHXQKV-UHFFFAOYSA-N 444.560 5.868 30 10 IKEE CCCCCCCCCOc1ccc(C=Nn2c(S)nnc2C2CCCC2)cc1OC 2321928187 ZONGITYYPVCZTC-UHFFFAOYSA-N 444.645 6.245 30 10 IKEE Sc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc(OCc2ccccc2)cc1 2322115130 UUXOZBKNWMUSOC-UHFFFAOYSA-N 448.979 5.467 30 10 IKEE COc1cccc(C=C2Oc3c(ccc4c3CN(CCCc3ccccc3)CO4)C2=O)c1 2322214426 JPBXFDQJRRKVHS-UHFFFAOYSA-N 427.500 5.096 30 10 IKEE Cc1ccc(CN2COc3c(cc4c(c3C)OC(=Cc3cccc(Cl)c3)C4=O)C2)cc1 2322307590 KRFAIBUQOQXZOU-UHFFFAOYSA-N 431.919 5.925 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OC(=O)c4ccccc4Br)c3C)C2=O)c1 2322714875 YYKDGAUARAJHOF-UHFFFAOYSA-N 449.300 5.901 30 10 IKEE CCOC(=O)c1ccc(COc2c(C=CC(=O)c3ccc(F)c(F)c3)cccc2OC)o1 2322785117 ZNAIVKZIGAZTMX-UHFFFAOYSA-N 442.414 5.218 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)c3ccc(Cl)c(Cl)c3)ccc2C1=O 2323259112 HNRDGGZKYGHJNE-UHFFFAOYSA-N 425.267 6.137 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OCC(=O)N[C@@H](C)c1ccccc1 2323279798 OCWYTGOBSQJIFS-NRFANRHFSA-N 443.543 5.464 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)N[C@@H](C)c3ccccc3)c2)cc1Cl 2323310665 WXIDHJPWYNLURB-SFHVURJKSA-N 449.934 5.501 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3cc(OC(=O)CCOc4ccccc4)ccc3C2=O)cc1 2323679982 VCQRLUXRBYALQP-UHFFFAOYSA-N 442.511 5.975 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OCC(=O)Nc2ccc(F)cc2)c(Cl)c1 2323701832 XNVOOYCCYSMVPN-UHFFFAOYSA-N 439.870 5.401 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OCC(=O)NC1CCCCC1 2323896198 YDTDLKJJGNWBAU-UHFFFAOYSA-N 441.955 5.381 30 10 IKEE CCCC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccs2)C3=O)c1 2323921538 RQLFUPFVSMBYGM-UHFFFAOYSA-N 448.496 5.597 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OCC(=O)NCc3ccco3)c(Cl)c2)cc1 2324158605 CZVAYBKAMXVSIT-UHFFFAOYSA-N 437.923 5.648 30 10 IKEE CCOc1c(Br)cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC 2324266291 KTUJDLCDJFZPNR-UHFFFAOYSA-N 447.369 6.193 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1ccccc1C)C2=O 2324339250 OFPGFHMSTGSUCU-IBGZPJMESA-N 441.527 5.888 30 10 IKEE CCc1ccc(-c2csc([C@@H](C#N)C(=O)C(=Cc3ccccc3)c3ccccc3)n2)cc1 2324378594 LQUKOBGNFLSXRL-VWLOTQADSA-N 434.564 6.790 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc([N+](=O)[O-])cc3)n2)cc1 2324405791 ZWNLSVCDWNYJQZ-OAQYLSRUSA-N 431.517 5.951 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OCCCOc3ccc(Cl)cc3)cc(C)c2C1=O 2324561237 WJHCBRKLUDHAOH-UHFFFAOYSA-N 434.919 6.421 30 10 IKEE COc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)c(OC)c1 2324825598 NNEFKVIKSAPFBD-HXUWFJFHSA-N 448.544 5.342 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CCc2ccc(C)c(C)c2)nnc1SCCC 2325424602 FZSYPEWSAWHUTO-UHFFFAOYSA-N 434.609 5.629 30 10 IKEE O=[N+]([O-])c1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2F)cc1 2325485794 KUNFANRZJZENTM-UHFFFAOYSA-N 447.495 5.091 30 10 IKEE CCCOc1ccc(C=Nn2c(CC)nnc2SCc2ccc(C)cc2)cc1OCC 2325576330 DVRUVHAIRGVZNS-UHFFFAOYSA-N 438.597 5.511 30 10 IKEE CCCOc1ccc(C=Nn2c(C)nnc2SCc2cc(C)ccc2C)cc1OCC 2325631278 YPDVNYIPIPUZDX-UHFFFAOYSA-N 438.597 5.565 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccccc3F)c2)cc1 2325710154 XNODOLVRYXUFCV-UHFFFAOYSA-N 446.518 6.221 30 10 IKEE COc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2cccc(C)c2)C3=O)cc1Cl 2325710847 BYPCESXRCMKLIZ-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE COc1cccc(C=C2Oc3cc(OCC(=O)Nc4cc(Cl)ccc4C)ccc3C2=O)c1 2325723262 KJXMRDXDOPNSEF-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE Cc1cccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2Cl)C3=O)c1 2325727075 UMPREACEKIUJMO-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2)cc1OC(=O)[C@H](C)Oc1ccc(C(C)C)cc1 2325731293 ZPQPDYYWPACFBL-FQEVSTJZSA-N 444.527 6.088 30 10 IKEE COc1ccccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1sccc1C)C2=O 2325736336 DGRMOYQCRBZKSO-UHFFFAOYSA-N 435.501 5.007 30 10 IKEE COc1ccc(CCC(=O)Oc2cccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 2325746463 BKBKLKILFAGLFI-UHFFFAOYSA-N 442.555 6.427 30 10 IKEE O=C(C=Cc1cccc(OC(=O)C23CC4CC(CC(C4)C2)C3)c1)c1cccc2ccccc12 2325750071 UROPIZPKPFSJRZ-UHFFFAOYSA-N 436.551 6.858 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cccc(OC(=O)[C@H](C)c2ccccc2)c1 2325763565 KARZAXATLOOTQS-GOSISDBHSA-N 434.919 6.262 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)c2ccc(C)c(C)c2)c1 2325764060 STFFWZSGKORQMX-UHFFFAOYSA-N 434.919 6.389 30 10 IKEE CCCOc1c(Cl)cc(C=Nn2cnnc2SCc2ccc(C#N)cc2)cc1Cl 2326660567 QULURUMLPVXGQU-UHFFFAOYSA-N 446.363 5.420 30 10 IKEE C=C(C)CSc1nnc(COc2c(C)cccc2C)n1N=Cc1cccc(Cl)c1 2328556657 XYZJUSMPSAESIY-UHFFFAOYSA-N 426.973 5.678 30 10 IKEE CCSc1nnc(CCc2ccccc2OC)n1N=Cc1ccc(C(F)(F)F)cc1 2328681768 RHKJOBONZYYBDN-UHFFFAOYSA-N 434.487 5.085 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc(OC)c(OC)c1 2329100506 AGSUTWOPLIUPNW-UHFFFAOYSA-N 442.972 5.090 30 10 IKEE Cc1csc2nc(Cl)c(C=NNC(=S)NC3CCCCCCCCCCC3)n12 2330418950 NTTYCJWEJGQQLL-UHFFFAOYSA-N 440.082 5.829 30 10 IKEE CC(C)CCNC(=S)NN=Cc1cn(CCOc2ccc(Cl)cc2)c2ccccc12 2330448961 OVSXVRKTZJKAQQ-UHFFFAOYSA-N 443.016 5.218 30 10 IKEE COc1cccc(C=Nn2c(SCc3cccc(F)c3)nnc2-c2ccccc2)c1OC 2330649213 QLKPKQGHQBTKFR-UHFFFAOYSA-N 448.523 5.276 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(OC)c1OC(=O)c1ccco1 2330674631 FQLSFJGFBFTTLC-UHFFFAOYSA-N 438.479 6.285 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OC(=O)CCC 2330821820 DTUYGBBMSOGPFT-UHFFFAOYSA-N 433.331 6.332 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)c(C)c3)cc2)cc1 2330824578 PXQITXWBDIUWQW-UHFFFAOYSA-N 430.519 6.521 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)cc3)c([N+](=O)[O-])c2)cc1 2330833372 BQUUQFWYFPVDPE-UHFFFAOYSA-N 443.499 6.361 30 10 IKEE COc1cccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccc(Cl)cc2)c1O 2330867272 JSCZWYWDNBMYQX-UHFFFAOYSA-N 444.988 5.409 30 10 IKEE Clc1cccc(CSc2nnc([C@H]3CCCO3)n2N=Cc2c[nH]c3ccccc23)c1 2330993831 GQKFZLMLFUUAJQ-HXUWFJFHSA-N 437.956 5.439 30 10 IKEE COc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CCCC2)cc1O 2331093004 RBMRUVJKXZHSBS-UHFFFAOYSA-N 442.972 5.478 30 10 IKEE Cn1c(C(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2[N+](=O)[O-])cc2ccccc21 2331174138 YPPMCYFYVKOGGF-UHFFFAOYSA-N 426.428 5.202 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(OCC)cc3)cc2)cc1 2331189319 FMCWOMZMSYAEIF-UHFFFAOYSA-N 444.527 5.918 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CC3CCCCC3)c(OC)c2)cc1 2331311567 XIRWSAZUTSBBEL-UHFFFAOYSA-N 436.548 6.256 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(F)c2)cc(OC)c1OC(=O)C(C)(C)C 2331464384 ISVSLYORPKVVOI-UHFFFAOYSA-N 426.484 5.419 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OC(=O)Cc1cccs1 2331484275 ABIKXFRQKVCOHG-UHFFFAOYSA-N 428.509 5.954 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2[N+](=O)[O-])cc1 2331497830 GCTJCTQSFVQZTC-UHFFFAOYSA-N 445.471 5.842 30 10 IKEE Oc1ccc(Br)cc1C=Nn1c(SCc2ccccc2)nnc1C1CCC1 2331519872 ZWUWOEQXOSLHOY-UHFFFAOYSA-N 443.370 5.188 30 10 IKEE Clc1ccc(CSc2nnc(C3CCC3)n2N=Cc2cccc3ccccc23)cc1 2331539686 JNBHKUPDINIYIF-UHFFFAOYSA-N 432.980 6.527 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)cc3F)cc2)c(OC)c1 2331716693 AVJOIFHXYDNXSD-UHFFFAOYSA-N 438.426 5.026 30 10 IKEE CCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OCC)cc2OCC)cc1OCC 2331736602 MLRCBONBDCVRLH-UHFFFAOYSA-N 426.509 5.484 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)[C@H]2CCCO2)c([N+](=O)[O-])c1 2331794800 KWCZCZFFDAYPNA-HSZRJFAPSA-N 437.492 5.181 30 10 IKEE CC[C@@H](NC1CC(COCc2ccccc2)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338514819 XPHUKOXHFZCZCU-ZZVXHFGESA-N 435.417 5.022 30 10 IKEE CC(C)(C)OC(=O)NCCCC(C)(C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339597226 VRESLYXSAOHBQL-UHFFFAOYSA-N 446.397 5.189 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Br)cc(COC)c1 2362282396 SVDRLKZTIYZKMN-RBUKOAKNSA-N 441.410 5.106 30 10 IKEE Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cccc(CCC#N)c4)cc3n2)cc1 3629649 HKVBDDQQZACKMH-UHFFFAOYSA-N 449.436 5.432 30 10 IKEE C[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(F)cc1)[C@@H]2c1ccccc1 17094850 CNHLQALQXYBQFW-WGDIFIGCSA-N 426.491 5.892 30 10 IKEE C=CCSC1=N/C(=C\c2ccc(OCC)c(OC)c2)C(=O)N1c1ccc(OCC)cc1 20152074 SFMWRCRSXGDCQE-HKWRFOASSA-N 438.549 5.156 30 10 IKEE Brc1ccc(CSc2n[nH]c(N/N=C/c3cccc4ccccc34)n2)cc1 20905463 NQMDDASLYNHQNK-WSDLNYQXSA-N 438.354 5.459 30 10 IKEE CC(C)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)cc1 21220418 UAGHGKPANJNQKU-KMRXNPHXSA-N 426.535 6.929 30 10 IKEE COc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cc(Cl)ccc1O 21227721 STDVKKGRSJIZSJ-PVPMGCCUSA-N 446.934 6.034 30 10 IKEE COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)cc1OC 21249524 ITWBWAOUNDDYKG-CLYVBNDRSA-N 444.506 5.822 30 10 IKEE CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cccc(F)c2)c1-c1ccc(C#N)cc1 25143815 UWJPYGLBIRZUOB-UHFFFAOYSA-N 441.506 6.208 30 10 IKEE CN(Cc1ccccc1)c1oc(-c2ccc(OCc3ccccc3Cl)cc2)nc1C#N 39841543 BLKAZTAJTYHNKT-UHFFFAOYSA-N 429.907 6.082 30 10 IKEE C/C(=C1/S/C(=N/c2ccncc2Cl)N(C2CCCCC2)C1=O)c1ccc(F)cc1 39864649 RDOPMRDZXVZGTP-SMAGERFBSA-N 429.948 6.201 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC)c2)[C@H]1c1ccc(OCCC)cc1 40101032 OTFCARGSNGJIAF-HSZRJFAPSA-N 437.536 5.253 30 10 IKEE C=C(C)C(=O)NCCCCCc1nc2ccccc2n1CCCOc1c(C)cccc1C 40219800 YGXQSEWXIXOVPH-UHFFFAOYSA-N 433.596 5.527 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3cc(OCc4cc(C)ccc4C)cc(C)c3C2=O)c1 41433593 XRGIFLGZYAMALL-MXAYSNPKSA-N 430.500 5.824 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCc4cc(C)ccc4C)cc(C)c3C2=O)c1OC 41433641 VJFCXYXBPWLBAN-CFRMEGHHSA-N 430.500 5.824 30 10 IKEE CCCOc1ccccc1Nc1nc(SC)nc(-c2ccc(OC)c(OC)c2)c1C#N 62041312 MEDKVFNJDNDSDW-UHFFFAOYSA-N 436.537 5.287 30 10 IKEE CCOc1ccccc1N/C(=N\C(=O)c1cccc(C)c1)NCCc1c[nH]c2ccccc12 66437720 WUGSPQCAFAMBMD-UHFFFAOYSA-N 440.547 5.316 30 10 IKEE CCCCCCCCOc1ccc(C(NC(=O)CC(C)C)NC(=O)CC(C)C)cc1OC 101118257 YYVJHCATWIZUMF-UHFFFAOYSA-N 448.648 5.758 30 10 IKEE CCCCCCCCCn1c([C@@H](C)NC(=O)Cc2ccc(Cl)cc2)nc2ccccc21 102132424 UGNWFAANZLMLTG-HXUWFJFHSA-N 440.031 6.860 30 10 IKEE Cc1ccc([C@H]2/C(=C(/O)c3ccco3)C(=O)C(=O)N2c2nc3c(C)cc(C)cc3s2)cc1 102488876 LKMVSRQHPNWMJA-NNWMPZTLSA-N 444.512 5.441 30 10 IKEE CCCCCCCCc1ccc(-c2ccc(OCCCCC[C@@H](C)CC)c(F)c2)cc1 138935285 BMYUOFKZSJANKA-DEOSSOPVSA-N 426.660 9.381 30 10 IKEE CCCCCOc1ccc(/C=N\Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 169943436 QCESFJVOXHDVDQ-IWIPYMOSSA-N 425.554 5.842 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2cccs2)c1 169987710 ZDGUJFKWCLFXFT-FQEVSTJZSA-N 441.455 5.208 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@H]1c1ccccn1 169994205 CEBCLAWOGGJDHN-HSZRJFAPSA-N 432.907 5.145 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccccn1 169994467 RJLYQVUEUNFNRU-FQEVSTJZSA-N 439.298 5.480 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@H]2c2ccccn2)cc1C 169996799 IRQZIBBFLSIVFW-QFIPXVFZSA-N 432.907 5.443 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(O)c(Cl)c2)ccc1F 170040900 COQGGMBDXBKBTL-OAQYLSRUSA-N 437.854 5.276 30 10 IKEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccccc2)cc1 170047886 UJEBIDITYIWKOA-DEOSSOPVSA-N 438.483 5.282 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@@H]1c1ccccc1)c1cccc2ccccc12 170050037 NJSVYLKJBFVRKO-RUZDIDTESA-N 449.462 5.351 30 10 IKEE CC(C)Oc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccccc2)cc1 170053885 KUWYLOOEXWRSCL-SANMLTNESA-N 441.527 5.576 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(Cl)cc1 170056576 QEWIMDIHSMYODK-HXUWFJFHSA-N 439.920 5.189 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(Cl)cc2)cc1C 170059882 ITCUXVHPYSBMGP-QFIPXVFZSA-N 439.939 5.568 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(C(C)C)cc2)cc1C 170068056 DMRYFTIIKMHADL-VWLOTQADSA-N 440.543 5.600 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1cccc(O)c1)c1c[nH]c2ccccc12 170080938 KABRZZGIOQSEMU-JOCHJYFZSA-N 444.874 5.310 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(Cl)c2)[C@H]1c1ccc(C)o1 170101621 BCBAWWDDYHHXNW-NRFANRHFSA-N 437.879 5.341 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)o1 170101637 GQDORELUTPTTCR-QFIPXVFZSA-N 446.890 5.814 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(O)cc2)c1 170135524 JPUJZCFIWDDUDN-HSZRJFAPSA-N 435.520 5.090 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(C)c2)cc1C(C)C 170148415 SMPYJTYTLDPXPS-VWLOTQADSA-N 447.575 6.038 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccn2)ccc1OC(C)C 170179402 AZRAPEHYSDCTHZ-HSZRJFAPSA-N 434.536 5.088 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCCC)[C@H]2c2cccnc2)cc1 170196064 BGFNHCAGLOUUPH-QHCPKHFHSA-N 436.552 5.419 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1OC 170226478 DPLBFMSYJWJWSE-QFIPXVFZSA-N 449.890 5.140 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1 170227536 QXJGSBYLZZIDHF-VWLOTQADSA-N 435.479 5.631 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@@H]1c1ccc(Cl)cc1 170236249 VTLNEZVSSHGKNY-NRFANRHFSA-N 427.928 5.344 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(F)cc2)c1 170239767 DHCUCPMQZSMPMB-HSZRJFAPSA-N 431.463 5.316 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@H]1c1ccc(C(C)C)cc1 170245331 AAWBPKQEGYKMSY-XMMPIXPASA-N 433.548 5.513 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccccc1F 170249654 GNPWYIZTQPYADO-RUZDIDTESA-N 441.502 5.796 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2cccc(O)c2)c1 170258554 ZCSFDSXVIHCCTR-XMMPIXPASA-N 443.499 5.271 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccc(O)c2)cc1C 170258610 WZRNTBIVIOLOSY-DEOSSOPVSA-N 443.499 5.191 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(O)c2)cc1C 170264391 DFFGCELLOPFDFK-HSZRJFAPSA-N 435.520 5.010 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)c(OC)cc3C)[C@H]2c2ccco2)c1 170279220 JARJDLRPXAXLFB-HSZRJFAPSA-N 447.487 5.087 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2cccc(F)c2)o1 170299005 GJMXGHFZGGVCGF-HSZRJFAPSA-N 427.431 5.663 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@H]1c1sccc1C 170319368 JHKLHQSIADKPNN-FQEVSTJZSA-N 427.566 5.614 30 10 IKEE COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccccc2)cc(Cl)c1O 170366468 OCVNJXGEBXKYAA-OAQYLSRUSA-N 449.890 5.146 30 10 IKEE C=CCOc1ccc(/C=C2/SC(=S)N(Cc3ccc(OC)cc3)C2=O)cc1Cl 209888412 NSSARRRWPUYSFS-XDHOZWIPSA-N 431.966 5.315 30 10 IKEE Cc1cccc(/C=C\C(=O)c2c(-c3ccc(Cl)cc3)c3ccccc3n(C(C)C)c2=O)c1 222335425 PSBSCCSRGOWPKJ-WJDWOHSUSA-N 441.958 7.107 30 10 IKEE N#Cc1cc(Br)ccc1Nc1cc(Br)ccc1Br 229169273 RVFURIJERLPVND-UHFFFAOYSA-N 430.925 5.589 30 10 IKEE C=CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1C12CC3CC(CC(C3)C1)C2 253572823 QQIYTXCGKGFBBX-UHFFFAOYSA-N 436.625 5.280 30 10 IKEE N#Cc1cc(F)c(Nc2ccc(Br)c(Cl)c2Cl)cc1Br 312623010 PUXSEOUXBJILBK-UHFFFAOYSA-N 438.909 6.273 30 10 IKEE CCN[C@@H](C#Cc1ccccc1)c1ccc(Br)cc1NC(=O)OC(C)(C)C 407486769 HDZZXIWKNSWTOW-IBGZPJMESA-N 429.358 5.498 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 526487398 ZNWYMBBCMLMSFH-AREMUKBSSA-N 438.527 6.138 30 10 IKEE CCOc1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1OC 526488662 LTQJPFSYKCBNHG-DEOSSOPVSA-N 444.462 5.162 30 10 IKEE N#Cc1ccc(NC2=C(Cl)C(=O)N(c3ccccc3Sc3ccccc3)C2=O)cc1 526677263 LTDFBDHNUZFMIB-UHFFFAOYSA-N 431.904 5.145 30 10 IKEE Oc1cccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccc(F)cc2)c1 526802211 CFZIWWDITJXLJF-QQXSKIMKSA-N 432.524 5.083 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@H](C#N)c1c(F)cccc1Br 698869772 NRXXMJLYXUGUIE-MRXNPFEDSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@H](C#N)c1ccc(Cl)cc1Br 698947994 VLECNQWOAPSXKR-CQSZACIVSA-N 428.718 5.605 30 10 IKEE O=C1C(=NN=c2c3ccccc3[nH]c3ccccc23)c2ccccc2N1Cc1ccccc1F 1084403703 ZFPXZBBZMQASGF-UHFFFAOYSA-N 446.485 5.312 30 10 IKEE Cc1ccccc1/C=C1/S/C(=N/N=C/C=C/c2ccccc2)N(Cc2ccco2)C1=O 1615304547 CTUFJOPURQYXAN-MMDFVVKTSA-N 427.529 5.760 30 10 IKEE CCN1C(=O)/C(=C\c2ccccc2OCc2ccc(C)cc2)SC1=Nc1ccccn1 1772731688 PRZAIJWJVWDKRD-OORCVBGGSA-N 429.545 5.593 30 10 IKEE Cc1cccc(NC(=S)N/N=C\c2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)c1 1857811097 LAFWWHDARXGZBS-YSMPRRRNSA-N 445.979 5.822 30 10 IKEE CCCCCCCCCCNC(=O)CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1859456071 KKKJKODDLIAHRV-UHFFFAOYSA-N 445.560 5.008 30 10 IKEE CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)[C@@H](C)Oc1cccc(NC(=O)c2cccc(C#N)c2)c1 1860133715 XFBGPARIQSXONC-UEUXDIAVSA-N 448.563 5.582 30 10 IKEE CCCCCCCCNC(=O)[C@H](NC(=O)/C=C/c1ccccc1Cl)c1ccccc1 1861556715 BTVAIWOUELTBFK-IKPXGLPCSA-N 426.988 5.687 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccc(C)c(C)c1 1861827336 USOIHFXOZWUHFH-XMMPIXPASA-N 426.576 5.260 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccc(C(C)C)cc2)cc1 1862395642 VHZLPEJTMPRMAF-DEOSSOPVSA-N 435.564 5.377 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@@H]2c2cccc(OCCC)c2)cc1 1862398637 WKYPAAGEPWCTEU-RUZDIDTESA-N 449.591 6.196 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc(O)c1 1862431105 ZQQRYUDYDXYWDB-RFVSGWPVSA-N 425.912 5.203 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2C2CCCCC2)cc1 1862456657 XBDDXNGCBADLNH-OAQYLSRUSA-N 429.438 5.323 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2cccc(Br)c2)c1 1862496986 YWOAPIAIKLKRDO-IBGZPJMESA-N 428.326 5.053 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862508559 LDJQYZOJUDRXMI-BUXKBTBVSA-N 436.310 5.818 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccccc1Cl 1862526750 IXPQHDVAHLZPLN-SGTLLEGYSA-N 448.744 5.479 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@H]2c2ccccc2F)cc1 1862530679 VXROTMDYXOGYNH-QHCPKHFHSA-N 449.909 5.820 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc3c(c2)CCCN3C)cc1 1862538779 PZXXNUZDYICIMP-VWLOTQADSA-N 446.591 5.256 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1OC 1862573171 WDXXEAWMCLHUNS-QHCPKHFHSA-N 437.536 5.062 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1cccc(F)c1)c1cccc2ccccc12 1862649942 JYXXVPOWTDFBJY-RUZDIDTESA-N 437.470 5.757 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)c1 1862664264 XYMWMIKNVULVCB-XYURVEJXSA-N 447.575 5.976 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(OCc2ccccc2)cc1 1862685009 LONCCSAMHKITPZ-XMMPIXPASA-N 445.490 5.393 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(OC)cc1 1862725389 HZHDYFXFMVLXQZ-VWLOTQADSA-N 441.527 5.741 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(Cl)cc3)C2=O)c1 1863024421 MIKRUDKOWQIHJK-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE Cc1cc(NC2=C(c3cccs3)C(=O)N(c3ccc(C#N)cc3)C2=O)ccc1C(C)C 1863110568 VAAXCWSKCQHSBU-UHFFFAOYSA-N 427.529 5.448 30 10 IKEE N#Cc1ccccc1N1C(=O)C(Nc2cccc(C(F)(F)F)c2)=C(c2cccs2)C1=O 1863120071 UTGZXNZLAPGRTC-UHFFFAOYSA-N 439.418 5.035 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccccc2)=C(c2ccc(F)cc2)C1=O 1863507620 YEYRLJATSJQZEE-UHFFFAOYSA-N 436.571 5.836 30 10 IKEE C=CCN1C(=O)C(N[C@@H](C)C23CC4CC(CC(C4)C2)C3)=C(c2cccc3ccccc23)C1=O 1863583312 UYSJSTFJENWDCL-PGGMPKIUSA-N 440.587 5.300 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](CCCC)NC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)C(C)C 1868866126 RXTVNGAAKSSTSB-NHCUHLMSSA-N 439.427 5.609 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3ccccc3[C@H]2c2cccc(F)c2)nc(CC)n1 1869124180 KXALUSULZFANPO-HHHXNRCGSA-N 428.555 5.509 30 10 IKEE CCCCCCOc1ccc(C(=O)Nc2c(C#N)nnn2-c2ccc(Cl)cc2C)cc1 1870143961 JDBCDAPHZVLKOQ-UHFFFAOYSA-N 437.931 5.312 30 10 IKEE CCCCCCCCCCn1cc(OCC)c(=O)cc1CNc1cccc([N+](=O)[O-])c1 1870784957 HQRJYKSMEZRDHC-UHFFFAOYSA-N 429.561 5.908 30 10 IKEE C=CCOc1cn(CCc2cnc[nH]2)c(CNc2cc(C(C)C)cc(C(C)C)c2)cc1=O 1870811806 ISHFSJQLXXTSJK-UHFFFAOYSA-N 434.584 5.238 30 10 IKEE C=CCn1cc(OCc2ccc(F)cc2)c(=O)cc1CNc1cccc(Br)c1 1871075477 YOPLUPSEUSRCCL-UHFFFAOYSA-N 443.316 5.127 30 10 IKEE CCCCCCCCCCn1cc(OCCC)c(=O)cc1CNc1cc(C)cc(C)c1 1871106723 WRGAPBNDOCQVNJ-UHFFFAOYSA-N 426.645 7.007 30 10 IKEE C=CCn1cc(OCCCc2ccccc2)c(=O)cc1CNc1ccc(N2CCCC2)cc1 1871137774 ONUIWJNDJHSWOS-UHFFFAOYSA-N 443.591 5.258 30 10 IKEE CC(C)CCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(-c2ccccc2)cc1)C3=O 1871353811 XKUVRJVCOCWXIB-QQXSKIMKSA-N 425.528 6.168 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1cccc(F)c1)C3=O)CN(C13CC4CC(CC(C4)C1)C3)CO2 1871359743 YQWATFREWAEOBF-OPVMPGTRSA-N 445.534 5.871 30 10 IKEE O=C1/C(=C/c2cccc([N+](=O)[O-])c2)Oc2cc(OC(=O)c3c(F)cccc3Cl)ccc21 1871375299 DUCRRXMDIKMIKN-GRSHGNNSSA-N 439.782 5.223 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OC(=O)/C=C/c4cccc([N+](=O)[O-])c4)ccc3C2=O)c1 1871377705 ZXWYNOUVBSPQEL-LABNAMAPSA-N 427.412 5.138 30 10 IKEE Cc1cc(OC(=O)CC2CCCCC2)cc2c1C(=O)/C(=C/c1ccc(Cl)cc1Cl)O2 1871380578 VXWVMIXBYRHBST-NHDPSOOVSA-N 445.342 6.794 30 10 IKEE Cc1c(OC(=O)/C=C/c2ccccc2)ccc2c1O/C(=C\c1ccc(N(C)C)cc1)C2=O 1871385511 WZFPZZISZKDHPF-GSCASXBJSA-N 425.484 5.296 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(OC)cc2)C3=O)cc1 1871388389 SSWDTISNHXATEA-IWIPYMOSSA-N 430.456 5.319 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2sccc2C)C3=O)c(C)c1 1871418857 RDYJJHHNHAUOJB-MTJSOVHGSA-N 433.529 5.615 30 10 IKEE CCCCCCCCCOc1ccc2cc(-c3nc(-c4ccccc4)cs3)c(=O)oc2c1 1871429918 UEDDXNKIYJVCQD-UHFFFAOYSA-N 447.600 7.713 30 10 IKEE CCCCCCCCN=c1nc(N(C)Cc2ccccc2)[nH]c(=Nc2cccc(F)c2)[nH]1 1871545176 DZVSSQSNVNGQGG-UHFFFAOYSA-N 436.579 5.007 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cc(C)cc(C)c1)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872004608 QYRQWSHSQRWCIK-QPPBQGQZSA-N 442.625 5.232 30 10 IKEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1cccs1 1872011246 WFWCNDNIFQKRBZ-IBGZPJMESA-N 434.627 5.030 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(F)cc1 1872550789 DDWXBXUOMABLNU-QHCPKHFHSA-N 446.588 5.063 30 10 IKEE CC(C)COc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 1872760128 HXCDADCTCZYATD-QHCPKHFHSA-N 430.573 6.214 30 10 IKEE CCOc1ccc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC 1872766288 GHSGCMSSSJNBLP-SFHVURJKSA-N 440.952 5.680 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(C(C)(C)C)cc3)n2)cc1 1872768673 ZDACGXGZDOZMJT-URWPNFCTSA-N 430.573 6.396 30 10 IKEE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)[C@H](C#N)c1nc(-c2ccc(F)cc2)cs1 1872776759 WUTXCDXXNDBGEP-NHYWBVRUSA-N 435.307 5.900 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)c2ccc(OCC(C)C)cc2)n1 1872785201 IDTCRMMRQYQDGX-QHCPKHFHSA-N 446.616 6.941 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCCCC)=C(c2ccc(OC)c(OC)c2)C1=O 1873019346 ZXPQPQHLSJTNSX-UHFFFAOYSA-N 444.616 5.314 30 10 IKEE CCCCCCCCNC1=C(c2ccc(Cl)cc2)C(=O)N([C@@H]2CCCC[C@@H]2C)C1=O 1873138616 YJTJNGCGLULTIU-GHTZIAJQSA-N 431.020 5.949 30 10 IKEE N#Cc1ccc(NC2=C(c3cccc(Cl)c3Cl)C(=O)N(Cc3ccccc3)C2=O)cc1 1873333821 CMVQDNLJDSAHNC-UHFFFAOYSA-N 448.309 5.257 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(CCCC)cc2)cc2c(N3CCCCCC3)ncnc21 1873655551 JPQWHNJKTRMCKO-UHFFFAOYSA-N 431.584 5.593 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(F)c(Cl)c2)cc2c(N3C[C@H](C)C[C@@H](C)C3)ncnc21 1873666641 RLKNTSTUXDDVNJ-HUUCEWRRSA-N 441.938 5.144 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](C)Oc1ccc2c3c(c(=O)oc2c1C)CCCC3 1873936278 CWRLKZWBQGQBMP-FQEVSTJZSA-N 441.612 6.004 30 10 IKEE CCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1/N=C/c1cccc(F)c1 1874194615 YSGIBQSWLLKRQN-AFUMVMLFSA-N 442.560 5.297 30 10 IKEE CCCSc1nnc(CCCOc2ccc(OC)cc2)n1/N=C/c1c[nH]c2ccccc12 1874221424 KCMQFTBCFFHRFW-YZSQISJMSA-N 449.580 5.164 30 10 IKEE CCCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1cccc(OC)c1OC 1874279486 JQZGBFCRBORKRL-BUVRLJJBSA-N 444.988 5.118 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2ccccc2F)n1/N=C/c1ccc[nH]1 1874300469 KLNWAIQUTMMQEZ-LGJNPRDNSA-N 435.528 5.116 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccc(C)c(C)c3)n2/N=C/c2ccccc2)cc1 1874318700 FIYSFFKXWUEQDF-JVWAILMASA-N 442.588 5.957 30 10 IKEE CCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1c(OC)ccc2ccccc12 1874339731 JFHWRAOLJOSOIY-MFKUBSTISA-N 436.968 5.678 30 10 IKEE C=C(C)CSc1nnc(COCc2ccccc2)n1/N=C/c1cccc(OCCC)c1 1874355730 YFRVNOVAFYDJGP-MFKUBSTISA-N 436.581 5.334 30 10 IKEE COc1ccccc1/C=N/n1c(Cc2ccccc2F)nnc1SCCc1ccccc1 1874376479 YIFAKGWHVWZNCI-OVVQPSECSA-N 446.551 5.234 30 10 IKEE C=CCSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874400128 JIAVMYOGVSXXSK-LEBHPONQSA-N 436.581 5.386 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCCC)nnc2-c2cccs2)cc1OC 1874423821 HCSPNDGILBPPKP-PXLXIMEGSA-N 430.599 5.578 30 10 IKEE Fc1ccccc1/C=N/n1c(SCc2c(Cl)cccc2Cl)nnc1C(F)(F)F 1874462300 RBJHCYNXOYAMPE-KTZMUZOWSA-N 449.260 5.917 30 10 IKEE CCOc1c(/C=N/n2c(SCc3ccc(C)cc3)nnc2C(C)(C)C)cccc1OC 1874481084 LVXNXHCZYQWWJR-MFKUBSTISA-N 438.597 5.466 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C(C)C)cc1 1874515510 BFLDSPNHNCTAST-FOKLQQMPSA-N 435.380 5.891 30 10 IKEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1 1874571555 UGGTZPYQDCKISV-PKNBQFBNSA-N 436.851 5.162 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(C)c(C)c1 1874588693 ZCXZCKCXHUMMGC-CCEZHUSRSA-N 443.587 6.380 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1cccc(OCC(=O)Nc2ccc(C)cc2)c1 1874600502 PLDMRHFFYXKCCG-FMIVXFBMSA-N 449.934 5.879 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc1OCc1ccccc1F 1874601141 WGQYEIVZXTXBLV-SDNWHVSQSA-N 442.486 6.471 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3c(F)cccc3Cl)cc2)cc1OC 1874603005 KGEKWQOTODPMAB-XYOKQWHBSA-N 426.871 5.971 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)ccc1OCc1ccc(Cl)cc1 1874622239 SXICEZVWIIICKM-RUDMXATFSA-N 436.891 5.595 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)ccc1OCc1cccc(F)c1 1874636078 IAVVMJOVNDKUOP-JXMROGBWSA-N 440.898 6.362 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cccs3)c([N+](=O)[O-])c2)cc1C 1875108526 SFOUTAIQSQDEOR-VMPITWQZSA-N 437.473 5.018 30 10 IKEE O=C(COc1ccccc1)Oc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1 1875114489 NAVZQQFICRIAFF-SDNWHVSQSA-N 437.289 5.330 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@H]2C[C@H]2c2ccccc2Cl)c([N+](=O)[O-])c1)c1ccccc1 1875127339 ZOTRWDIECRTBBP-VKKDNOAKSA-N 447.874 5.853 30 10 IKEE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1 1875127550 LQBMKDVZUNKEEG-WQMJKPAKSA-N 441.310 6.262 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)c(F)c3F)c(Cl)c2)cc1 1875133295 OAHCRKYMOUNUOK-ONNFQVAWSA-N 430.809 6.181 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)COc1c(C)cccc1C 1875136592 QVOJUZLNOKCEST-GXDHUFHOSA-N 430.500 5.501 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C(F)(F)F)c(Br)c1)c1cccc2ccccc12 1875155007 HYADXRIBCSSPKV-CSKARUKUSA-N 449.222 5.966 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)Cc1ccccc1 1875176314 BRYPVQDBAJPZET-FYWRMAATSA-N 440.539 6.085 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)C(C)(C)C)c(OC)c2)cc1Cl 1875187161 MZOKKALDBKXNDT-VQHVLOKHSA-N 432.900 5.213 30 10 IKEE C[C@@H]1O[C@H](C)C[C@]1(C#N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875689164 CERNWJGXORKJOG-JABCTIAMSA-N 443.543 5.585 30 10 IKEE C=CCC1([C@H](NCC)c2ccc(Br)cc2F)CN(C(=O)OC(C)(C)C)C1 1876998160 MTSUZZHYVMBUHZ-QGZVFWFLSA-N 427.358 5.052 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1(C)C 1880344481 RGBMKAQDIOYCHV-RUZDIDTESA-N 443.588 5.496 30 10 IKEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N(CCc3cccs3)Cc3ccco3)n[nH]2)c1C 1891939173 QGEFZLHOPYHPCZ-UHFFFAOYSA-N 449.580 5.006 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C=CC(=O)Cc2ccc(Br)c(F)c2)cc1 1911813299 WFEBMCHBIQQOHE-UHFFFAOYSA-N 434.305 5.760 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)NCCC 1922064142 CCWAJNLWMYODIC-UPVQGACJSA-N 430.633 5.555 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@H](CC(C)(C)C)NC(=O)OC(C)(C)C)NCCC 1922093997 HSOFFVXSKHSUFK-DHIUTWEWSA-N 432.649 5.847 30 10 IKEE C=C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C1CC1)[C@@H](CCCC)C(=O)O 1927511897 BIMWRTIKVDWWSQ-IGKIAQTJSA-N 433.548 5.751 30 10 IKEE CCCCCCCC[C@@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCC 1947488690 PXQMSLZCGRYFBF-BJKOFHAPSA-N 434.665 6.215 30 10 IKEE C#CCCCCC1(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)CC1 1952074801 LLYONTCTHMGZPE-XMMPIXPASA-N 431.532 5.342 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC[C@@]2(C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)C1 2009512009 YPYCJGHLIFTPJU-QHCPKHFHSA-N 447.963 5.375 30 10 IKEE CC#CCCCCC(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2019542704 RIBRESHGIWROOJ-UHFFFAOYSA-N 426.601 5.089 30 10 IKEE C=CCCCCCC[C@H](NC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2026020211 VZORFRSAUNHKRM-OZXSUGGESA-N 429.649 5.270 30 10 IKEE C=CCN(C[C@H](NCCC)c1c(C)sc(C)c1Br)C(=O)OC(C)(C)C 2027395210 KWMIZHPXQNEHNY-HNNXBMFYSA-N 431.440 5.591 30 10 IKEE CCC1(NC(=O)OC(C)(C)C)CC(C#N)(N(C(=O)OC(C)(C)C)c2cccc(OC)c2)C1 2035396430 JFSIJANZKVTKGB-UHFFFAOYSA-N 445.560 5.166 30 10 IKEE C=CCC[C@H](C)[C@@H](NCCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2041894991 XNJLOAPUJRJEIL-LLGBQNBKSA-N 444.660 5.801 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1ccc(Br)c(Cl)c1F 2045780952 ZLWCLYARINLNPY-FQEVSTJZSA-N 426.757 6.055 30 10 IKEE C=CCN(C[C@@H](Cc1cc(Br)ccc1Cl)NCC)C(=O)OC(C)(C)C 2047969269 ZLEYOBWRWKMAKY-MRXNPFEDSA-N 431.802 5.046 30 10 IKEE CC1(c2nn(-c3cc(C(F)(F)F)ccc3F)c(Br)c2C(F)(F)F)CC1 2079835011 WRMADDUPFXTPKD-UHFFFAOYSA-N 431.149 5.863 30 10 IKEE N#Cc1c(C(F)(F)F)nn([C@@H](c2ccc(C(F)(F)F)cc2)C2CC2)c1Br 2079908606 WDEAEQZMAXCXRP-GFCCVEGCSA-N 438.169 5.554 30 10 IKEE CC(C)(C)[C@@H](c1ccc(C(F)(F)F)cc1F)n1nc(C2CCC2)c(C=NO)c1Cl 2079929399 UMJKVWIWEDYEHF-QGZVFWFLSA-N 431.861 6.406 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Cl)c(Br)c1F 2097182890 ZIPGNFXPVBFMRB-WMLDXEAASA-N 449.792 5.752 30 10 IKEE C=CCC1([C@@H](NCC)c2c(F)cccc2Br)CN(C(=O)OC(C)(C)C)C1 2116827456 BJPFPUVMISDIHB-KRWDZBQOSA-N 427.358 5.052 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)Nc2c(Cl)cc(F)cc2Br)C1 2126625486 CGZYISCWCNMHNT-UHFFFAOYSA-N 447.732 5.041 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@]2(C#N)Nc2ccccc2Br)C1 2156252955 ZSGGQCORILLHEN-LEWJYISDSA-N 434.378 5.325 30 10 IKEE CC[C@]1(CNc2ccc(C#N)c(Br)c2F)CCCN(C(=O)OC(C)(C)C)C1 2162409902 KHNWMOBXAWBNGD-HXUWFJFHSA-N 440.357 5.299 30 10 IKEE CCCN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1C#N 2174815391 SPEYVXBTCRGZEB-MRXNPFEDSA-N 436.394 5.184 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)Nc2ccc(C#N)c(F)c2)c1 2181049540 YCCJKJIPUBKSHT-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@]1(CNC(=O)OC(C)(C)C)C[C@H]2CC[C@H]1C2)NCC 2223784111 NHXIIXNUVXNLPD-LUFNOOMBSA-N 442.644 5.459 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1sc(C)c(Br)c1C 2226138826 LVJVQGRYIXOZAA-WBVHZDCISA-N 443.451 5.475 30 10 IKEE CC1(C)OB(c2cccc(F)c2CN(Cc2ccccc2)Cc2ccccc2)OC1(C)C 2242199088 KPJUCPWAWOOLOO-UHFFFAOYSA-N 431.360 5.327 30 10 IKEE Cc1sc(C(=O)Nc2cccc(OCc3ccccc3)c2)cc1B1OC(C)(C)C(C)(C)O1 2267113801 ZAAGGXJOBFUOQR-UHFFFAOYSA-N 449.381 5.187 30 10 IKEE CC(C)(C)OC(=O)N1CCCC(Nc2cc(Br)c(C#N)cc2F)CCC1 2269156709 CDNMOWLHFHHMBG-UHFFFAOYSA-N 426.330 5.051 30 10 IKEE CN(C(=O)OC(C)(C)C)C1(C[C@H](O)C#Cc2ccc(Br)cc2)CCCCC1 2296275752 AGMMMIFFQKBFKV-LJQANCHMSA-N 436.390 5.121 30 10 IKEE C[C@H](c1ccc(NC(=O)OC(C)(C)C)cc1)[C@@H](O)C#Cc1ccc(Br)cc1 2296280850 DZOAJBFEKYLSPH-QRWLVFNGSA-N 430.342 5.312 30 10 IKEE CC(C)(C)OC(=O)NC1CCC(CC[C@@H](O)C#Cc2ccc(Br)cc2)CC1 2296288545 IKMVGGIRTHZVJL-UUKMXZOPSA-N 436.390 5.025 30 10 IKEE CN[C@H](C#Cc1ccc(Br)cc1)c1ccc(C)c(NC(=O)OC(C)(C)C)c1 2296306775 LRMVTOYQJPOIPV-LJQANCHMSA-N 429.358 5.417 30 10 IKEE O=C(Oc1ccc(F)cc1C(=O)C=Cc1cccs1)c1ccccc1Br 2296761473 NUZCXSNXWIIMJK-UHFFFAOYSA-N 431.282 5.765 30 10 IKEE C=C(CC=C(C)CCC=C(C)C)C(C[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C)=NO 2297595805 KUNNXNOAUCFJRF-QFIPXVFZSA-N 440.584 5.812 30 10 IKEE C=CCOc1ccc(C=C2SC(=Nc3nc(C)cs3)N(C3CCCCC3)C2=O)cc1 2314544224 WLVIVOSALIBROR-UHFFFAOYSA-N 439.606 5.953 30 10 IKEE CSCC#C[C@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2314603086 YATMCBWURIOLPK-VWLOTQADSA-N 447.600 5.227 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1cccc(OCC(C)C)c1 2318571819 TUVSUVBEQJRVOH-UHFFFAOYSA-N 443.016 6.093 30 10 IKEE CCOc1ccc(C=Nn2c(C)nnc2SCc2cccc(C)c2)cc1Br 2318574365 JPVNDTCMKJBWCU-UHFFFAOYSA-N 445.386 5.231 30 10 IKEE CCCCOc1ccc(C=Nn2cnnc2SCc2ccc(C)cc2C)cc1OCC 2318574603 OGXZVZBJEMIWSI-UHFFFAOYSA-N 438.597 5.647 30 10 IKEE CCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1N=Cc1ccc(Cl)cc1Cl 2320969027 KTYLCCGQDNPDCB-UHFFFAOYSA-N 448.379 5.069 30 10 IKEE CC(C)[C@H]1C[C@@](C#N)(Nc2ccccc2Br)CN1C(=O)OCc1ccccc1 2321532923 QUBYSWNQBFEDEO-IRLDBZIGSA-N 442.357 5.190 30 10 IKEE COc1cccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccc(F)cc2)C4)c1 2322052129 OZIMPVCQMVMCGC-UHFFFAOYSA-N 431.463 5.111 30 10 IKEE Cn1cc(C=C2Oc3c(ccc4c3CN(C3CCCCCC3)CO4)C2=O)c2ccccc21 2322079595 CMQUXHAIQGTXMI-UHFFFAOYSA-N 428.532 5.669 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccccc1)O3)CN(CCCCc1ccccc1)CO2 2322252120 PDMAROFLIQVRAU-UHFFFAOYSA-N 425.528 5.786 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCc3cccc4ccccc34)ccc3ccccc23)cc1 2322450082 ATKRBWCFEMOWFV-UHFFFAOYSA-N 444.530 7.477 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2nc(O)c3ccccc3n2)cc1 2322456919 QVPKTYIYEQRMQM-UHFFFAOYSA-N 446.890 5.473 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2ccc([N+](=O)[O-])cc2)c(C)c1C 2322825135 JBRXLJMGLYIZJW-UHFFFAOYSA-N 447.487 5.704 30 10 IKEE Cc1ccc(NC(=O)COc2ccccc2C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1C 2322836647 FPXQHVWSGSRAQV-UHFFFAOYSA-N 441.571 6.451 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1cc(C)c2c(c1)OC(=Cc1ccccc1F)C2=O 2323176534 JGMROJIKJYTHKO-UHFFFAOYSA-N 446.474 5.823 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cccc(OCC(=O)NCc2ccccc2)c1 2323289247 SDFUJKHZBODOPH-UHFFFAOYSA-N 449.934 5.248 30 10 IKEE O=C(C=Cc1ccc(-c2ccccc2)cc1)Oc1ccc2c(c1)OC(=Cc1ccccc1)C2=O 2323647325 BNSLLCDBXDRFPB-UHFFFAOYSA-N 444.486 6.589 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2Cl)C3=O)c1 2323839442 OTVSDHDEYHQGDF-UHFFFAOYSA-N 448.902 6.273 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2OC)C3=O)c1 2323854249 AELGUHXIMYYDKX-UHFFFAOYSA-N 428.440 5.095 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)ccc1OCc1ccccc1F 2324044678 VJWQQGGKRHAWAN-UHFFFAOYSA-N 434.463 5.471 30 10 IKEE C[C@@H]1C[C@@H](C)CN(Cc2c(O)ccc3c2OC(=Cc2ccc(Br)cc2)C3=O)C1 2324054875 BDWWWIRMYFDNKP-HUUCEWRRSA-N 442.353 5.249 30 10 IKEE Cc1cc(O)c(CN2C[C@@H](C)C[C@@H](C)C2)c2c1C(=O)C(=Cc1c(Cl)cccc1Cl)O2 2324055252 YEJBOWMVRDWRGL-OKILXGFUSA-N 446.374 6.102 30 10 IKEE COc1ccc(OC)c(C=CC(=O)[C@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)c1 2324353748 LCRGLZFZPCINKZ-QFIPXVFZSA-N 440.524 5.870 30 10 IKEE CCOc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1OC 2324430104 IUZFWGBOOLNPSM-LJQANCHMSA-N 434.517 5.116 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OCc2ccccc2Cl)cc1 2324505028 UXMZLWFIDUKTLC-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE Cc1cccc(OCCOc2ccc3c(c2C)OC(=Cc2cn(C)c4ccccc24)C3=O)c1 2324527694 SOGVLOLZXWTILP-UHFFFAOYSA-N 439.511 5.869 30 10 IKEE Cc1cccc(OCCCOc2ccc3c(c2)OC(=Cc2ccc4c(c2)OCO4)C3=O)c1 2324561575 QXEOPAMGDFPARI-UHFFFAOYSA-N 430.456 5.188 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C)cc4C)ccc3C2=O)cc1 2324883266 ZQBTWWOVICEEAF-UHFFFAOYSA-N 427.500 5.500 30 10 IKEE COC(=O)c1ccc(COc2cc(C)c3c(c2)OC(=Cc2c(F)cccc2Cl)C3=O)o1 2325382755 PNQMSMOUBBPPNF-UHFFFAOYSA-N 442.826 5.362 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(C(C)C)cc1 2325532502 KTPLMACYAZROPB-UHFFFAOYSA-N 427.017 6.572 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C=CC(=O)c3ccccc3OC)ccc2OC)cc1 2325722819 FUIJFQOFEVGUGD-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)c1C 2325737823 MSWJAKFLVMPLRX-UHFFFAOYSA-N 442.515 5.003 30 10 IKEE COc1ccccc1C=C1Oc2cc(OCC(=O)Nc3cccc(C)c3C)cc(C)c2C1=O 2325738037 YDRVSLYCAXXNNH-UHFFFAOYSA-N 443.499 5.254 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1OC(=O)c1ccccc1OC 2325755256 OZPWBYAPGDFTGV-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE CSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1cn(C)c2ccccc12 2325973161 DTLCHLKCPSHCPG-UHFFFAOYSA-N 439.972 5.039 30 10 IKEE CCOc1c(Cl)cc(C=Nn2c(C)nnc2SCc2cc(C)ccc2C)cc1OC 2326589535 ICYCHYOKKRFOPE-UHFFFAOYSA-N 444.988 5.439 30 10 IKEE Fc1cccc(CSc2nncn2N=Cc2ccc(OCCCc3ccccc3)cc2)c1 2326724432 ZGUSLAOYSVGCCT-UHFFFAOYSA-N 446.551 5.603 30 10 IKEE CCCCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1N=Cc1ccc(C)cc1 2326881261 NNESZTMNHBUZKD-UHFFFAOYSA-N 440.569 5.262 30 10 IKEE C=CCSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1cn(C)c2ccccc12 2327383423 FIEAZMMYASFPES-UHFFFAOYSA-N 445.592 5.462 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3Cl)n2N=Cc2ccccn2)c1 2327936570 HGKXNEKNHIQZHI-UHFFFAOYSA-N 447.995 5.595 30 10 IKEE CCSc1nnc(CCc2cccc(OC)c2)n1N=Cc1ccc(Cl)c(Cl)c1 2328625564 QAJHNQVKTLVIQY-UHFFFAOYSA-N 435.380 5.373 30 10 IKEE Cc1cccc(C=Nn2c(CCOc3ccccc3)nnc2SCc2ccccc2C)c1 2329164210 NFZHLWBHUNRVJO-UHFFFAOYSA-N 442.588 5.691 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccc(C)c(C)c3)n2N=Cc2ccccc2)c1 2329428605 XDOZDTHLTJTOLX-UHFFFAOYSA-N 440.616 6.277 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2ccccc2Cl)n1N=Cc1ccccc1 2329750408 LZTOXLRZJPGBHX-UHFFFAOYSA-N 436.943 5.836 30 10 IKEE O=C(O)c1ccccc1C=Nn1c(CC2CCCCC2)nnc1SCCc1ccccc1 2330275855 MHSLOLNSFGHQHN-UHFFFAOYSA-N 448.592 5.316 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)ccc1OC(=O)c1ccccc1Cl 2330765095 AOVUAOVLGCVLIO-UHFFFAOYSA-N 434.919 6.416 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)COC)c(OCC)c2)cc1 2330839742 XOPKDBXBELSSSB-UHFFFAOYSA-N 430.928 5.529 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(OC)c1OC(=O)c1cccc(C)c1 2330911321 MAVGAJFWLMNIGK-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE O=C(O)c1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2-c2ccco2)cc1 2331224306 IIDYZTFBOUYZIN-UHFFFAOYSA-N 438.896 5.064 30 10 IKEE CN(C)c1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1 2331239564 KZPGCOSWBIQVPP-UHFFFAOYSA-N 440.326 6.175 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)Cc1cccs1 2331276573 QSYVDFKWFJCSMS-UHFFFAOYSA-N 440.948 6.153 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3cccc4ccccc34)cc2)c(C)c1 2331469915 KYCFWBIMKSTYQI-UHFFFAOYSA-N 436.507 6.337 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)cc(OC)c1OC(=O)c1cccnc1 2331470865 SIHZCEIWHUILGZ-UHFFFAOYSA-N 439.467 5.367 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C(C)(C)C)ccc3OC)cc2)cc1 2331546324 KLMAPCYOGFACRX-UHFFFAOYSA-N 442.555 6.670 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2OC)cc(Cl)c1OC(=O)CC(C)C 2331726287 QXIVNRRQTSXADW-UHFFFAOYSA-N 446.927 5.604 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C)c(OC)cc3C)cc2Cl)cc1 2331847615 PPVOIKNPJRBKME-UHFFFAOYSA-N 448.946 6.643 30 10 IKEE CCCCc1ccc(-n2nnc(C#N)c2NC(=O)C(=Cc2ccccc2)c2ccccc2)cc1 2332188836 ZTTNKTAAXCKVRV-UHFFFAOYSA-N 447.542 5.661 30 10 IKEE CC1(C)OB(/C=C/c2ccc(NC[C@]34CC[C@H]3CN(Cc3ccccc3)C4)nc2)OC1(C)C 2365060872 MCDDVWCYQLZDDY-FKTHHDTRSA-N 445.416 5.050 30 10 IKEE COc1cccc(/N=C(\NCCc2c[nH]c3ccccc23)NC(=O)c2ccccc2Cl)c1 15728929 NHPFAAJJVMQPPW-UHFFFAOYSA-N 446.938 5.080 30 10 IKEE O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1c[nH]c3ccccc13)n1c(nc3ccccc31)N2 17096981 IODTXMITANPSKX-XRHLQHRESA-N 430.511 5.933 30 10 IKEE COc1cccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(Cl)c(Cl)c2)C3)c1OC 21221368 IZSOCYLUXDHTKQ-HIFRSBDPSA-N 446.330 5.015 30 10 IKEE CN(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2F)cc1 21259797 WCBYTIXXHXMBHF-MYUZEXMDSA-N 427.523 5.871 30 10 IKEE Cc1ccc(C)c(N/C(=N\C(=O)c2ccccc2F)NCCc2c[nH]c3ccccc23)c1 32943333 YUEKEMCUJPMOMA-UHFFFAOYSA-N 428.511 5.364 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCc4c(Cl)cccc4Cl)ccc3C2=O)cc1 33350146 AAIBKZNWLZAOMP-FMCGGJTJSA-N 425.311 6.751 30 10 IKEE C[C@H]1Oc2ccccc2C=C1/C=C1/Oc2cc(OC(=O)c3ccc(F)cc3)ccc2C1=O 33548745 AELSKUVTZRNISM-GMJSKMFWSA-N 428.415 5.368 30 10 IKEE Cc1ccc(/N=C2\NC(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)S2)cc1C 59433587 BTLOENCEQOACHC-LPYMAVHISA-N 435.980 6.256 30 10 IKEE Clc1ccccc1COc1ccc(/C=N/Nc2nnc3c(n2)[nH]c2ccccc23)cc1 64981260 ANQLDMQUNJUWRD-DHRITJCHSA-N 428.883 5.185 30 10 IKEE Cc1onc(-c2ccccc2Cl)c1C(=O)NCC#CCOc1cccc2ccccc12 90732927 MYQWSOXVNPBYCX-UHFFFAOYSA-N 430.891 5.269 30 10 IKEE C/C(=N\OCc1ccc(C)cc1)c1cc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)c1C 97632262 REUBHAULPPQTJO-NDZAJKAJSA-N 430.498 6.980 30 10 IKEE COc1ccc([C@@H](C2=C(O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)c(C)c1C 100131110 WMSHOYRXJZLYRD-JOCHJYFZSA-N 426.553 5.171 30 10 IKEE O=C1/C(=C\Nc2ccc(Br)cc2)Nc2ccc(Br)c(Cl)c21 100833216 RPJMHQHFPUUBIR-KPKJPENVSA-N 428.511 5.427 30 10 IKEE Cc1cc(C)c2nc(N3C(=O)C(=O)/C(=C(\O)c4cccs4)[C@@H]3c3ccccc3)sc2c1 102498603 LLWBFZLYYIWVKT-HUZQBFDWSA-N 446.553 5.601 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N1CCN(c2ccccc2)CC1 143883802 UCTGWZBKIVYBBM-UHFFFAOYSA-N 428.705 7.597 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccc(F)cc2)cc1 169922077 SCVSIKPBCGHUJX-JOCHJYFZSA-N 435.426 5.065 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc(OC)c2)cc1 169931372 JEGOOALJSOSPFK-XMMPIXPASA-N 427.500 5.349 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1c1ccc(F)cc1 169940424 UNUIMSUAUNRRJK-QHCPKHFHSA-N 442.446 5.099 30 10 IKEE CCCCCCCCCOc1ccc(-c2[nH]nc3c2CN(CCC)CC3)cc1OCC 169943024 AZTMEMHLGVGEKJ-UHFFFAOYSA-N 427.633 6.373 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccccc2OC)c1 169944236 SWPNBHWIKLGKTG-XMMPIXPASA-N 443.499 5.104 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccc(C)c2)cc1 169968810 MQNCGMSHJOMJPX-XMMPIXPASA-N 439.467 5.533 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2cccs2)c1 169985444 RHKLICBRVBEHNF-IBGZPJMESA-N 425.893 5.193 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccncc2)c1 170025527 ZEZDJLRLNJLPBM-DEOSSOPVSA-N 426.516 5.094 30 10 IKEE Cc1cc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)c(C)c4)[C@H]3c3ccco3)[nH]c2cc1C 170098884 UWXZWOQVABKTNS-OAQYLSRUSA-N 445.450 5.003 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@H]1c1ccc(C(C)(C)C)cc1 170150065 OSGXFTDZYLHKAL-JOCHJYFZSA-N 435.564 5.598 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2cccs2)c1 170153780 RDZPGAYXVFBWMK-QFIPXVFZSA-N 449.528 5.327 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1cccs1 170155158 FYRRFMGJYIPHDR-LJQANCHMSA-N 445.924 5.151 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccs1 170163269 JWZZBSARFCNGBC-QFIPXVFZSA-N 446.572 5.528 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccccn2)c1 170172680 SQVSSBDXEZXOOP-XMMPIXPASA-N 442.515 5.270 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2cccnc2)cc1Cl 170185190 UTUFHEZUBPSAKN-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(O)c(Cl)c1 170219757 BKDSDVKDHQMLLG-NRFANRHFSA-N 443.927 5.211 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2cccc3ccccc23)cc1 170221132 UPUVBFZIOURNMC-XMMPIXPASA-N 429.516 5.617 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(Cl)c3)[C@@H]2c2ccccc2)cc1 170227175 QPYYLIPEFFWFCU-NRFANRHFSA-N 438.310 6.085 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@@H]1c1ccc(F)cc1 170243872 FRESRWFAWLZZOR-FQEVSTJZSA-N 431.891 5.256 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2ccc(Cl)c(Cl)c2)c1 170246438 QWQZYYNROPTQMY-FQEVSTJZSA-N 448.346 5.771 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2F)cc1 170250560 PILQXZJCSYDNAV-HSZRJFAPSA-N 449.478 5.232 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2C)cc1 170272504 QDVYYWZSLJWUKB-RUZDIDTESA-N 441.527 5.875 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@@H]2c2ccc(C)o2)cc1 170300767 AJTIMFLRKARWQQ-QHCPKHFHSA-N 431.488 5.250 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(C)o2)ccc1Cl 170302711 XANVPKXFBBWWHK-OAQYLSRUSA-N 437.879 5.423 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@@H]1c1sccc1C 170318685 WOYHSMSBKQGXIR-HXUWFJFHSA-N 427.566 5.567 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(C)c2)cc1OC 170362954 FKUUVXHFVCHJJT-XMMPIXPASA-N 443.499 5.185 30 10 IKEE N#Cc1ccc(Nc2ccc(Cl)cc2I)c(Br)c1 232245209 GVIWJSYLQVIXDQ-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE C=CCOc1ccc(/C=C2\SC(=Nc3cccc(C)c3)N(c3cccc(C)c3)C2=O)cc1 252604829 GDWOIBUCYZPXAM-SBEYKLCGSA-N 440.568 6.677 30 10 IKEE CCCCCCCC[C@H](NCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 406948918 JCNQTRRYMMKSQP-IBGZPJMESA-N 441.454 7.197 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(Nc2ccccc2C#N)=C(Sc2ccccc2)C1=O 526659343 PNSDWXDYPYFHRV-UHFFFAOYSA-N 445.931 5.509 30 10 IKEE Cc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1cccc(Br)c1 526805306 IKFIKFMUFAIINP-QRVIBDJDSA-N 443.414 5.821 30 10 IKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccc(Br)c(Br)c1 698399614 PJPPVZZGIKVQMV-ABAIWWIYSA-N 446.183 5.812 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCO[C@H](C(F)(F)F)C1 698456348 NFLKOKDNFWOUBR-WMLDXEAASA-N 449.267 5.194 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@]1(C#N)CCc2ccc(Br)cc21 698826194 RZHIMPMWWFGPMD-FQEVSTJZSA-N 433.371 5.613 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@]1(C#N)CCc2c(Br)cccc21 698859027 YAITUGSDFHWTIP-JOCHJYFZSA-N 433.390 6.074 30 10 IKEE CC[C@@](C#N)(C1CN(C(=O)OC(C)(C)C)C1)N(C(=O)OC(C)(C)C)c1ccc(C)cc1 716139845 XRXVCKLFYXFSNH-XMMPIXPASA-N 429.561 5.276 30 10 IKEE N#Cc1cc(Br)cc(Br)c1OCc1c(Cl)cccc1Cl 953068541 ZYIVCDFZIYMPNE-UHFFFAOYSA-N 435.930 5.969 30 10 IKEE COc1ccc(-c2nc(N=Cc3ccc(C(C)C)cc3)sc2-c2ccc(OC)cc2)cc1 1083918269 HKGTZAKFICCMGX-UHFFFAOYSA-N 442.584 7.368 30 10 IKEE COc1ccc(N=C2S/C(=C/c3sccc3C)C(=O)N2c2ccc(OC)cc2)cc1 1084633195 AOBPSYVXASFTRA-FUSVKQJLSA-N 436.558 5.882 30 10 IKEE CC(C)n1c(O)nc2ccc(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)cc21 1587011091 IELPZTJEVVVDEX-UHFFFAOYSA-N 430.439 5.378 30 10 IKEE Cc1cccc(N=C2S/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C(=O)N2C)n1 1772732193 VOCWKTLXXJSGIN-SPXSAIPKSA-N 444.343 6.191 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(OCc3ccc(C)cc3)cc2)SC1=Nc1ccccn1 1772732340 WDWPUSRLTVHRJD-OORCVBGGSA-N 429.545 5.593 30 10 IKEE N#Cc1ccc(-c2c(F)c(F)c(F)c(F)c2F)nc1-c1c(F)c(F)c(F)c(F)c1F 1848358612 PGXQYIPOUZTXBH-UHFFFAOYSA-N 436.208 5.678 30 10 IKEE CCCCCCCCc1ccc(CC[C@](CO)(COC(C)=O)NC(=O)OC(C)(C)C)cc1 1848439600 NWOXCGCDMOUENH-SANMLTNESA-N 449.632 5.341 30 10 IKEE Cc1ccc(C(=O)Nc2cccc3c(OC(=O)Nc4cccc(C#N)c4)cccc23)cc1C 1858770905 ITZUGSJVJIGDDR-UHFFFAOYSA-N 435.483 6.192 30 10 IKEE CCCCCCCCNC(=O)c1oc2cc(OC)ccc2c(=O)c1-c1ccccc1OC 1859780583 VYWWZPZHVRYWKZ-UHFFFAOYSA-N 437.536 5.568 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1 1862395191 NVQPFRRMFFFNGK-VWLOTQADSA-N 448.607 5.293 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1F 1862417636 WDJAYOYPBHKILY-IBGZPJMESA-N 445.874 5.458 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccccc1F)c1cccc(Cl)c1 1862443303 OJXUMHAKOPVLOO-NRFANRHFSA-N 427.903 5.780 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2cccc(F)c2)c1 1862444833 ILNPBHFVAJJRTP-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccccc1F 1862490185 PHICKJIBYSSZBF-YADARESESA-N 437.555 6.380 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2cccc(C)c2)cc1 1862490563 YVFOMAWLNFIQFX-SANMLTNESA-N 439.555 5.741 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(C(C)C)cc2)c1 1862490724 CKAZEJZGRDHERM-DEOSSOPVSA-N 445.584 6.267 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccccc2F)ccc1F 1862501926 NVCWJIRQCLRFBA-HSZRJFAPSA-N 437.486 5.742 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2c(F)cccc2Cl)cc1 1862518710 QYQMQRXOBHISID-SPLOXXLWSA-N 445.918 5.645 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccccc1C 1862524108 XJZJRGQPCWNQJI-AUUYWEPGSA-N 428.326 5.134 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 1862530206 OICZRFQHTMBPTA-XMMPIXPASA-N 429.491 5.209 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2cccc(O)c2)cc1 1862531847 DBHMVMUNICRVSQ-VWLOTQADSA-N 441.527 5.166 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccccc2)cc1 1862617027 XHGFVTBEFXPERG-HSZRJFAPSA-N 426.516 5.158 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc3cc[nH]c3c2)c1 1862701372 CNAFGPOSQVWSID-JOCHJYFZSA-N 444.512 5.017 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862706521 YQSUVTIFXHPPOT-BUXKBTBVSA-N 434.319 5.379 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C2CCCCCC2)c1 1862713396 NWNSHEMNQKNNDK-AREMUKBSSA-N 439.555 6.449 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc2ccccc12 1862719382 KRRCCAKTUAKCFL-QYBDOPJKSA-N 435.523 6.370 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1c(F)cccc1Cl 1862727939 PICDKRGAWQZFFZ-QHCPKHFHSA-N 449.909 6.133 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1Cl 1862760703 UQCBNINYAWMHRN-ADLMAVQZSA-N 449.290 5.278 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(Cl)cc3C)C(=O)N(c3cccc(C#N)c3)C2=O)cc1C 1862879588 WPRAIHLPAGSYAF-UHFFFAOYSA-N 441.918 5.534 30 10 IKEE Cc1cc(Cl)ccc1NC1=C(c2ccccc2Cl)C(=O)N(c2ccccc2C#N)C1=O 1863083439 OLOXVCBNMVHKCC-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(OCC)cc2)C(=O)N(CCCC)C1=O 1863566517 RJDWQLHTHTYEDQ-UHFFFAOYSA-N 428.617 5.696 30 10 IKEE CCCCCCCCNC1=C(c2ccc(OC)cc2)C(=O)N([C@H](C)c2ccccc2)C1=O 1863675277 XGFYABSPFVQSNO-HXUWFJFHSA-N 434.580 5.486 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(C)cc1-c1ccccc1 1866030111 ZRPLYBYSFBGGSG-UHFFFAOYSA-N 449.723 9.862 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1n[nH]c(C)c1C(=O)OCC 1866032618 QXTNPNLTXALENH-UHFFFAOYSA-N 435.653 7.095 30 10 IKEE CC[C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc(C#N)c1)c1ccc(Cl)cc1 1866957698 VFUYSQUEKBJCJY-DNQXCXABSA-N 445.950 5.071 30 10 IKEE CC(C)[C@H]1c2[nH]cnc2CCN1c1cc(Nc2ccc(C#N)cc2)nc(Cc2ccccc2)n1 1868220248 ZHJDHMJVWJYXDP-MHZLTWQESA-N 449.562 5.166 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)NCC)c(=O)cc1CSC(C)(C)C 1870290005 JPARBBWBMCPXJA-UHFFFAOYSA-N 438.678 5.536 30 10 IKEE C=CCOc1cn(Cc2ccc(O)cc2)c(CN(CCCC)CCCCCC)cc1=O 1870387493 GOUIKVRKMMGTQC-UHFFFAOYSA-N 426.601 5.349 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc4c3CN(Cc3cc(C)ccc3C)CO4)C2=O)c1 1871349419 SSBOQDWRYZQPDN-MXAYSNPKSA-N 427.500 5.280 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1cccc(Cl)c1)C3=O)CN(CCCOC(C)C)CO2 1871351747 WLCMBFDGZUQKFC-NHDPSOOVSA-N 427.928 5.232 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN(C2CCCCCC2)C3)C1=O 1871353445 QWTUNZTUTZDXQT-IWIPYMOSSA-N 433.548 5.885 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c3C)C2=O)c1 1871383118 DNJRDZBFTYIWBI-NHDPSOOVSA-N 449.846 5.700 30 10 IKEE CC(C)Oc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)c1 1871387423 UVZZEWJRWISCTR-FMCGGJTJSA-N 434.875 5.963 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(CC)cc2)C3=O)cc1 1871388062 UZSBXJWYGNXGCI-UQQQWYQISA-N 442.511 6.182 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCCCOc4ccc(C)cc4)ccc3C2=O)cc1 1871406671 SYLQJCPKZJFONT-ONUIUJJFSA-N 430.500 5.858 30 10 IKEE CCc1ccc(OCCCOc2ccc3c(c2C)O/C(=C\c2sccc2C)C3=O)cc1 1871412935 MHHVXKUIDNIQRD-KQWNVCNZSA-N 434.557 6.391 30 10 IKEE CCc1ccc(OCCCOc2cc(C)c3c(c2)O/C(=C\c2ccc(OC)cc2)C3=O)cc1 1871413086 SLFQZDSEAFFESJ-ONUIUJJFSA-N 444.527 6.030 30 10 IKEE CCCC[C@H](Oc1cc(C)c2c(c1)O/C(=C\c1ccc(N(CC)CC)cc1)C2=O)C(=O)O 1871422719 AGXICLRTXRWBHI-XUVWKZFSSA-N 437.536 5.480 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1cc(C)c2c(c1)O/C(=C\c1sccc1C)C2=O 1871429764 WZBAEESDIQKPSL-SLOMDMAXSA-N 442.577 6.262 30 10 IKEE Cc1ccc(CCOc2ccc3c(c2)O/C(=C\c2ccc(Br)cc2)C3=O)cc1 1871437568 JKGOBANCLKTYLG-UCQKPKSFSA-N 435.317 5.995 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cc(Cl)ccc4C)ccc3C2=O)cc1 1871454352 LDYZWIIDVJLFTJ-KSEXSDGBSA-N 449.890 5.291 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4c(C)cc(C)cc4C)ccc3C2=O)cc1 1871459405 YCOHTCRNNYEHDG-CFRMEGHHSA-N 427.500 5.554 30 10 IKEE CCCCCCCCN=c1nc(N2CCCCCC2)[nH]c(=Nc2ccc(C)c(Cl)c2)[nH]1 1871490353 LFKNASLTLLBNOX-UHFFFAOYSA-N 445.055 5.574 30 10 IKEE C=CCN(CC=C)c1nc(=NCCC(C)C)nc(Nc2ccc(Nc3ccccc3)cc2)[nH]1 1871608730 DZTDVHKKYFTQGU-UHFFFAOYSA-N 443.599 5.417 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(CC)cc1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872105530 CRPODKJCSXSFDB-GBXCKJPGSA-N 442.625 5.178 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(Nc2ccccc2)cc1)S(=O)(=O)CC 1872158009 SDHRMUBYBBDWQX-QHCPKHFHSA-N 443.613 5.155 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccccc1 1872446847 OCEJVTXNTYNKGB-QHCPKHFHSA-N 428.598 5.184 30 10 IKEE NC1=C(c2nc(-c3ccccc3)c(-c3ccccc3)s2)C(=O)CN1c1ccc2c[nH]nc2c1 1872726414 VHSUSHOZFCWGMM-UHFFFAOYSA-N 449.539 5.070 30 10 IKEE Cc1ccc(C)c(CC(=O)[C@H](C#N)c2nc(-c3cccc(Br)c3)cs2)c1 1872764171 FNTRKKFTJCNORP-SFHVURJKSA-N 425.351 5.608 30 10 IKEE CCCCCCCOc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccco3)n2)cc1 1872777236 JBHHMXAIMRSJIO-TWLJRWAQSA-N 434.561 6.642 30 10 IKEE CCCOc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1 1872785108 FWLCFEQEHDIRRH-HSZRJFAPSA-N 446.616 6.624 30 10 IKEE COc1ccc(OC)c(/C=C/C(=O)[C@H](C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)c1 1872786601 NWOQHVLFWDHZOB-IEJURRBGSA-N 432.545 5.642 30 10 IKEE N#C[C@H](C(=O)COc1ccc(Cl)cc1)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872787143 CBMHPEFLOMPVKI-OAHLLOKOSA-N 437.735 6.026 30 10 IKEE CC[C@H](C)c1ccccc1NC(=O)c1cccc(CSc2nc(C)c(C)c(C)c2C#N)c1 1872893370 UVZAWAVIWDWWTL-KRWDZBQOSA-N 443.616 6.937 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(C(C)=O)cc2)=C(c2cccnc2)C1=O 1873265398 IDTHWKUKVDQIAQ-UHFFFAOYSA-N 447.579 5.617 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(F)c(Cl)c2)=C(c2c(Cl)cccc2Cl)C1=O 1873289261 DTXZZUUKINKPQT-UHFFFAOYSA-N 425.674 5.164 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccccc1O 1874232047 NYNURQVDFJPAGE-WGOQTCKBSA-N 428.561 5.473 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccccc3C)n2/N=C/c2ccccc2)CC1 1874285532 LFNSYBRCAWPZNO-TURZUDJPSA-N 446.664 7.225 30 10 IKEE C=C(C)CSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1ccc(OC)c(O)c1 1874288100 NTBOHWXAVMFSDI-MFKUBSTISA-N 442.629 6.007 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(OC)cc2)n1/N=C/c1ccc(Cl)cc1 1874305762 NTKPRNHMXXPRPV-ZVHZXABRSA-N 426.973 5.276 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(OC)cc2)n1/N=C/c1cccc(OCC)c1 1874305817 QJNXMEUNFLMQJI-PCLIKHOPSA-N 436.581 5.021 30 10 IKEE Fc1cccc(CSc2nnc(-c3cccs3)n2/N=C/c2ccc(F)cc2F)c1 1874421514 PHTFOTBYEIEUNO-BHGWPJFGSA-N 430.480 5.598 30 10 IKEE O=[N+]([O-])c1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2-c2ccco2)cc1 1874466796 BLVNHWVACFYTCZ-WSDLNYQXSA-N 439.884 5.274 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(CC(C)C)nnc2SCc2c(F)cccc2Cl)c1 1874491623 ASTUHCVJWNFTTB-BHGWPJFGSA-N 432.952 5.458 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874515677 KLNGTHSOZQVBMU-AFUMVMLFSA-N 427.017 6.527 30 10 IKEE Clc1cccc(CSc2nnc(C3CC3)n2/N=C/c2cccc(Br)c2)c1 1874520153 DCMARASHZZCOLY-SSDVNMTOSA-N 447.789 5.746 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(C)nnc2SCc2ccc(F)cc2)cc1OC 1874529859 FEFPQMDNZDJXJG-MFKUBSTISA-N 442.560 5.478 30 10 IKEE Sc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccccc1OCc1ccccc1 1874565893 BASXQOUUXYDZDG-WGOQTCKBSA-N 448.979 5.467 30 10 IKEE O=C(/C=C/c1c(OCc2ccccc2Cl)ccc2ccccc12)c1ccc(Cl)cc1 1874577311 IFMOMYYNJSHFND-CCEZHUSRSA-N 433.334 7.622 30 10 IKEE CCOC(=O)c1ccc(COc2cc(/C=C/C(=O)c3cc(C)ccc3C)ccc2OC)o1 1874595871 HLVRMQJEEFXYFV-DHZHZOJOSA-N 434.488 5.557 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc([N+](=O)[O-])c1OCc1ccccc1 1874604765 DSZGIYGORPMOFJ-NTCAYCPXSA-N 431.488 6.031 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Cl)c1OCc1ccc(F)cc1 1874608536 SXHILOAJVDYMTH-FMIVXFBMSA-N 445.317 7.006 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)cc1 1874609463 SIFIWLOHIGNLGQ-VZUCSPMQSA-N 441.296 6.072 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(C)c3)c(Br)c2)cc1 1874609572 YSTKVSRAPXUJCM-WUXMJOGZSA-N 437.333 6.241 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Cl)c1OCc1cccc(Cl)c1 1874612162 FYKDDLYAUIFXIJ-CMDGGOBGSA-N 447.745 7.131 30 10 IKEE O=C(/C=C/c1ccc(OCc2nc(O)c3ccccc3n2)c(Cl)c1)c1ccc(F)cc1 1874624988 GRXRREYVDOLMRG-VZUCSPMQSA-N 434.854 5.603 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)CC3CCCCC3)c2)cc1 1874701621 BVGKCISTTWPTMG-OQLLNIDSSA-N 436.548 6.256 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccccc2OC)CSc2nnc(C3CC3)n21 1874850102 UILDBDFVBUTCOG-LJQANCHMSA-N 428.602 5.226 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)c(C)c3)cc2)cc1 1875105991 WRBUORHLGSWPHO-QGOAFFKASA-N 426.556 6.690 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OC(=O)Cc1ccc(F)cc1 1875111882 NVWGOZVSEOVHNH-UKTHLTGXSA-N 438.882 5.922 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)c1cccnc1 1875162207 CDRBPEPYMILYMH-VMPITWQZSA-N 443.833 5.527 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc4cc(OC)ccc4c3)cc21 1891189777 MMUVFVNPFSHIKY-UHFFFAOYSA-N 430.504 5.038 30 10 IKEE O=C(CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCC#CCN1CCCCC1 1891648422 LFHFDTGXFFUJIZ-UHFFFAOYSA-N 436.599 5.017 30 10 IKEE C#CCC[C@@H](CNC(=O)OC(C)(C)C)Oc1cc(Br)ccc1C(F)(F)F 1903151524 KGTIFNRUOXMWDJ-ZDUSSCGKSA-N 436.268 5.153 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C1 1997231350 UINHZSMLZGXDBU-MHECFPHRSA-N 435.609 5.486 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C)([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 2022137284 YXRLSGLXLBBOAK-JPYJTQIMSA-N 433.524 5.106 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)C2(C#N)C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)cc1 2040987141 ZTLVAPWUTWLMDV-RTBURBONSA-N 441.572 5.276 30 10 IKEE C#CCN(C[C@H](NCCC)c1ccc(Br)c(Cl)c1)C(=O)OC(C)(C)C 2041579889 WVTFNSMZEKDXSN-KRWDZBQOSA-N 429.786 5.014 30 10 IKEE C#CC[C@@H](COc1c(Br)cc(Br)cc1Br)C1CC1 2075953413 NSMCVWCOAVQBOI-JTQLQIEISA-N 436.969 5.402 30 10 IKEE CCCOc1ccc([C@@H](n2nc(C3(C)CC3)c(C#N)c2Br)C2(C)CC2)cc1 2080068717 GRBQPDAYBDFXRT-LJQANCHMSA-N 428.374 5.747 30 10 IKEE C=CCN(CC[C@@H](Cc1ccc(Cl)c(Br)c1F)NC)C(=O)OC(C)(C)C 2110506732 MICOSFXXAHNAHY-AWEZNQCLSA-N 449.792 5.185 30 10 IKEE C=CCCCC[C@@H](NC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2123080716 PFCRYXZIBWNGTJ-RTBURBONSA-N 425.411 5.219 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCCC)c2cccc(Br)c2Cl)C1 2136583654 LQHHQKLZDCDLDW-QGZVFWFLSA-N 443.813 5.757 30 10 IKEE C=C1CC(C[C@@H](NCCC)c2ccc(Br)cc2I)C1 2142287907 PCUUDHRQDODQIE-MRXNPFEDSA-N 434.159 5.451 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@]2(C#N)Nc2ccccc2Br)C1 2156252956 ZSGGQCORILLHEN-NHCUHLMSSA-N 434.378 5.325 30 10 IKEE N#Cc1c(F)cc(Br)cc1NC[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2163709845 YYKDTXIHDAQQQV-GGPHIMKMSA-N 428.349 5.315 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@]2(CNc3ccc(C#N)cc3Br)CCC[C@H]12 2165307808 TVPZMMCVTQXKCE-RXVVDRJESA-N 434.378 5.302 30 10 IKEE C=C(c1ccccc1)[C@@H](NCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2197155135 MWTJFANMUZMGLT-HXUWFJFHSA-N 431.374 6.160 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1OCc1cc(Cl)ccc1Br 2197465583 PRIGTRYFTHYSMH-UHFFFAOYSA-N 437.570 5.289 30 10 IKEE CC(C)(C)OC(=O)N1CCC(C#N)(Cc2c(Br)sc3ccccc23)CC1 2224753542 HTSTYDZRHBZSAE-UHFFFAOYSA-N 435.387 5.747 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2c(F)ccc(Br)c2F)cc1 2239732555 RLUAOCBPEFYXHH-INIZCTEOSA-N 437.284 6.042 30 10 IKEE CC(C)(C)OC(=O)NC[C@]1(C)CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2249886256 RNDIYXUXZBPCIM-ZEQRLZLVSA-N 435.609 5.533 30 10 IKEE N#C[C@H](C(=O)c1cscc1OCc1ccccc1)c1ccc(Br)c(F)c1 2271567956 OKKGJHIKSHEJAX-HNNXBMFYSA-N 430.298 5.719 30 10 IKEE C=C(C)CCCC[C@H](NCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2271749738 HBKMCUSFINNFOC-IBGZPJMESA-N 425.411 6.583 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)c1cccc(Cl)c1Br 2275806769 KIFPAIFTALJOTA-HXUWFJFHSA-N 439.733 5.408 30 10 IKEE C=C1C[C@@H]1C[C@H](OCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2275878704 QRDBMROWVOPIRU-RSXGOPAZSA-N 444.527 5.953 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@H](N)C#Cc2cccc(Br)c2)cc1Cl 2278725400 MPWCQMSEBHRPOB-QGZVFWFLSA-N 435.749 5.501 30 10 IKEE COc1ccc([C@H]2C(=C(O)c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccc(F)cc2)cc1 2296082409 BRFUGELAKLJUHF-NRFANRHFSA-N 437.854 5.114 30 10 IKEE COc1cccc([C@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2c2ccc(C)c(Cl)c2)c1 2296235684 UMQVFVJDTWTEQV-QFIPXVFZSA-N 433.891 5.283 30 10 IKEE CCC(=O)C=Cc1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 2296515049 BDFSPURYMWMNRS-UHFFFAOYSA-N 444.152 6.336 30 10 IKEE COc1ccc(Br)cc1C=C1Oc2cc(OC(=O)C(C)(C)C)ccc2C1=O 2296871127 RPOPSLBFHDWMSK-UHFFFAOYSA-N 431.282 5.025 30 10 IKEE C=CCN1C(=O)C(=Cc2cccc(OCCOc3ccccc3Cl)c2)SC1=S 2297624645 WUDYBGJIPINKHA-UHFFFAOYSA-N 431.966 5.185 30 10 IKEE O=C1C(=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)Oc2ccc(Br)cc21 2314519671 XTMHWMUPIGHFLC-UHFFFAOYSA-N 435.195 6.344 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCc4ccc(Cl)cc4Cl)cc(C)c3C2=O)cc1 2321784421 PCEDLRXVVFKLEF-UHFFFAOYSA-N 425.311 6.805 30 10 IKEE Cc1cc(OCc2ccc(Br)cc2)cc2c1C(=O)C(=CC=Cc1ccccc1)O2 2321847378 FSZZKSOWMFOSNP-UHFFFAOYSA-N 447.328 6.509 30 10 IKEE CCOc1cc(C=Nn2c(S)nnc2CC(C)(C)C)ccc1OCc1ccc(C)cc1 2321936859 RNQONHJEDHURMG-UHFFFAOYSA-N 438.597 5.324 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccccc1F)O3)CN(Cc1ccccc1Cl)CO2 2321958486 PZABMRQZLGQYMF-UHFFFAOYSA-N 435.882 5.756 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(S)n1N=Cc1ccc(OCc2ccccc2F)cc1 2321962067 GIRCEIPEOVLJFI-KRWDZBQOSA-N 432.524 5.319 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O3)CN(CCc1cnc[nH]1)CO2 2322206884 LCEHCRIWQDTHIT-UHFFFAOYSA-N 443.547 5.026 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)c1OCc1ccc(C)cc1 2322311979 HRAPBVMPNPSVTG-UHFFFAOYSA-N 437.879 6.040 30 10 IKEE CCCCC[C@H](CC)N1COc2c(cc3c(c2C)OC(=Cc2ccc(OC)cc2)C3=O)C1 2322356726 ILUNZDNYTBBWRU-NRFANRHFSA-N 435.564 6.131 30 10 IKEE Cc1ccc(C=C2Oc3c(cc4c(c3C)OCN(CCCCc3ccccc3)C4)C2=O)cc1 2322442947 MBWWWFWWUJGWTH-UHFFFAOYSA-N 439.555 6.094 30 10 IKEE COc1cccc(C=CC(=O)c2cc(C)ccc2C)c1OCC(=O)Nc1ccc(C)cc1C 2322617592 GQWGCRLBBWOYLR-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(F)c(F)c2)c1OCc1c(F)cccc1Cl 2322784985 MRANJAXENWMUIL-UHFFFAOYSA-N 432.825 6.241 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2cccc(Cl)c2)c(C)c1C 2322823291 RBDWCJDASDNAGL-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccccc2OCc2ccccc2Cl)c1 2322860075 CPZVPBRZUYCZJE-UHFFFAOYSA-N 436.935 6.613 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccccc2)c2ccccc12 2323019013 FCKRLYLZNVAQQY-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE Cc1ccc(C)c(COc2ccc(C=CC(=O)c3ccc4c(c3)CCCC4)cc2Cl)c1 2323422815 UDLUBZJXVXPFCT-UHFFFAOYSA-N 430.975 7.311 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 2323683698 ZEMHJLWQKHUPNO-UHFFFAOYSA-N 448.431 5.377 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2OC)ccc1OCC(=O)Nc1ccc(C)c(C)c1 2323719498 ZETHXDHVLFYZMV-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 2323813667 PJOWZLXKMMPPBS-UHFFFAOYSA-N 427.327 6.867 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(OC)ccc2OC)ccc1OCc1ccccc1F 2324025680 UIULYBSVYRXSPY-UHFFFAOYSA-N 436.479 5.717 30 10 IKEE Cc1cc(O)c(CN2C[C@@H](C)C[C@H](C)C2)c2c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O2 2324055171 MRQWJPIUQKHHFZ-KBPBESRZSA-N 446.374 6.102 30 10 IKEE Cc1cc(O)c(CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c2c1C(=O)C(=Cc1ccc(F)cc1)O2 2324097633 MGEICIOFFPEMTH-WINIVTDRSA-N 435.539 5.857 30 10 IKEE C=C(C)COc1c(Br)cc(C=CC(=O)c2ccc(F)c(F)c2)cc1OCC 2324261124 FKBMCWXYUOPRIO-UHFFFAOYSA-N 437.280 5.977 30 10 IKEE Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2F)C3=O)c(C)c1 2324331625 VUBSLDYPCIHQTG-GOSISDBHSA-N 445.490 5.773 30 10 IKEE C=C(C)COc1c(Cl)cc(C=CC(=O)c2cc(OCC)ccc2OCC)cc1OC 2324384946 YADRXIIMGDBDSS-UHFFFAOYSA-N 430.928 5.997 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2cccc(C)c2)C3=O)cc1 2324454247 UARAHOXQOCKBAU-GOSISDBHSA-N 443.499 5.334 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccc(C)cc4C)c3C)C2=O)c1 2324893235 VEKDIGHLLKDYFE-UHFFFAOYSA-N 427.500 5.554 30 10 IKEE CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(C)cc2)C3=O)cc1 2325424608 GXMXGALFQIGGAM-GOSISDBHSA-N 441.483 5.220 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc(OCC(=O)Nc3ccc(Cl)cc3)c2C)C1=O 2325513859 KJXLWZKYHPWDFE-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE O=C(CCc1ccccc1)Oc1cccc(C=CC(=O)c2cccc(Br)c2)c1 2325720981 PNWDDAUZMYQOCC-UHFFFAOYSA-N 435.317 5.883 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OC(=O)Cc1ccc(Cl)cc1 2325739636 TVAWKELIYSVNEN-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2cccc(OC(=O)c3ccccc3F)c2)c1 2325758314 MWKMBJSEURYCBS-UHFFFAOYSA-N 434.463 5.738 30 10 IKEE CCCOc1c(Cl)cc(C=Nn2cnnc2SCc2cccc(C)c2)cc1Cl 2326374812 YLBRRXSTGSIYIF-UHFFFAOYSA-N 435.380 5.857 30 10 IKEE CCCOc1c(Cl)cc(C=Nn2c(C)nnc2SCc2cccc(C)c2)cc1Cl 2326377372 VHBAHUFFUPXWFX-UHFFFAOYSA-N 449.407 6.165 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1N=Cc1cccc(OC(C)C)c1 2326550080 RILDPWXKFPIFCO-UHFFFAOYSA-N 428.989 5.846 30 10 IKEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccc(O)c(Cl)c1 2326823644 ZXTIWPPEAJZOTC-UHFFFAOYSA-N 445.932 5.062 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2F)n1N=Cc1ccc(F)cc1 2330108752 QOHRXBHTSBDSEO-KRWDZBQOSA-N 434.515 5.883 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(CC2CCCCC2)n1N=Cc1ccccc1 2330317539 CQIYCTQDGWCMOW-UHFFFAOYSA-N 442.991 6.368 30 10 IKEE Fc1ccc(C=Nn2c(Cc3cccs3)nnc2SCc2cccc(Cl)c2)cc1 2330439893 ZIXWSSDJXVHSMI-UHFFFAOYSA-N 442.972 5.897 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)c(C)c3)c(Cl)c2)c1 2330778193 VTHCACSDLQABEZ-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)cc3F)c(Cl)c2)cc1 2330961110 OOYKPDGPJBDKKU-UHFFFAOYSA-N 442.845 5.671 30 10 IKEE Cc1cccc(CSc2nnc(C3CCCC3)n2N=Cc2ccc(C(F)(F)F)cc2)c1 2331045287 WHFPWKAYXWNHTG-UHFFFAOYSA-N 444.526 6.437 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2ccccc2F)nnc1C(F)(F)F 2331138054 FKIYSKZTWRFYEB-UHFFFAOYSA-N 436.434 5.175 30 10 IKEE Oc1ccccc1C=Nn1c(SCc2ccc(Cl)cc2Cl)nnc1C(F)(F)F 2331156165 ZDVVUKKCIGPWDB-UHFFFAOYSA-N 447.269 5.484 30 10 IKEE C=CCSc1nnc(-c2ccco2)n1N=Cc1ccc(OCCCCC)c(OC)c1 2331214776 FWZVKOXRGZZWFG-UHFFFAOYSA-N 426.542 5.276 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3Cl)c(Cl)c2)c(C)c1 2331222355 JMUBJVRFOZSMAR-UHFFFAOYSA-N 425.311 6.726 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)CCc1ccccc1C 2331282112 FGMHQHNLBIABGE-UHFFFAOYSA-N 428.528 6.136 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)cc3F)c(Cl)c2)c1 2331319612 PRJFIQNPZNZPST-UHFFFAOYSA-N 440.873 6.279 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCO4)cc2Cl)c1 2331437724 HFSHSFRTZHSQRV-UHFFFAOYSA-N 448.902 5.730 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)cc(Cl)c1OC(=O)[C@@H]1CCCO1 2331468448 MGPKMMKRBWWIPU-QFIPXVFZSA-N 436.891 5.482 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1)c1ccc(C(F)(F)F)cc1 2331470216 TWERBPIEFMYVIL-UHFFFAOYSA-N 446.424 6.974 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc(F)cc1 2331471024 GHUGQIIDYYJILC-UHFFFAOYSA-N 437.371 6.097 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1ccc(Cl)cc1 2331503769 GAPXCPMLVLGSPT-UHFFFAOYSA-N 448.946 6.977 30 10 IKEE O=C(O)c1ccccc1C=Nn1c(SCc2cccc(Cl)c2)nnc1C1CCC1 2331541703 DLAHVQKQVHJIKD-UHFFFAOYSA-N 426.929 5.072 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(C2CCC2)n1N=Cc1ccccc1Cl 2331546283 GDHVNRPNTTYXKF-UHFFFAOYSA-N 435.355 6.166 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)c1cncc(C)c1 2331555127 YRXVGOUTHKUQJR-UHFFFAOYSA-N 443.833 5.446 30 10 IKEE CCCSc1nnc(COC)n1N=Cc1ccccc1OCc1ccccc1Cl 2331592656 NMUSQPHZHXNYPW-UHFFFAOYSA-N 430.961 5.041 30 10 IKEE COCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1cccc(Cl)c1 2331612277 ZOFJAASWSBVQEA-UHFFFAOYSA-N 441.771 5.559 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1cccc2ccccc12 2331630491 UZOJTYQWIMEMSG-UHFFFAOYSA-N 447.539 5.136 30 10 IKEE COc1cccc(OCC(=O)Oc2ccc(C=CC(=O)c3cc(C)cc(C)c3OC)cc2)c1 2331660077 BOQBODRQONMVPO-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2Cl)c1 2331706249 RORNRJKBABYNJV-UHFFFAOYSA-N 434.919 6.471 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)c3ccccc3)c([N+](=O)[O-])c2)cc1C 2331707271 IFUSZAAVBHDVIB-IBGZPJMESA-N 429.472 5.817 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2OC)cc(Cl)c1OC(=O)C1CCC1 2331726273 VVXQQCIBYPJKJK-UHFFFAOYSA-N 444.911 5.358 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3c(C)cc(C)cc3C)cc2[N+](=O)[O-])c1 2331768918 FNTSAKBWLVGTKR-UHFFFAOYSA-N 445.471 5.644 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)c2cccnc2)c([N+](=O)[O-])c1 2331794816 OLYCSNNXKIMKBJ-UHFFFAOYSA-N 444.487 5.711 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@H]2/C=C/c1ccccc1 8721446 MEBYLSQVZSCHEG-QHLVILHISA-N 448.566 6.484 30 10 IKEE Cc1cc(C)c(NS(=O)(=O)c2ccc(/N=C/c3ccc(Cl)cc3Cl)cc2)c(C)c1 12583388 GLBKWAANUTXCEF-DHRITJCHSA-N 447.387 6.470 30 10 IKEE COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1S[C@H]2c1ccc(C)cc1 17095549 JFZPACGXOKJGEX-PPHZAIPVSA-N 427.569 6.663 30 10 IKEE CCCC/N=C(\C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1NC(C)=O 20616451 MZSLLKDEBQZAIF-XHPQRKPJSA-N 439.865 5.545 30 10 IKEE COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc2ccccc2c1 20881598 YONXZIYLFULHMK-CHJDUVSTSA-N 446.550 6.828 30 10 IKEE COc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc2ccccc2c1 20881599 YONXZIYLFULHMK-RCRUUEGKSA-N 446.550 6.828 30 10 IKEE CCOc1cc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(C(C)(C)C)cc2)C3)ccc1O 21244494 QGMHTFBMCYITLL-QUCCMNQESA-N 433.548 5.093 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3C)c(OC)c2)c1 34954255 NIOGIXVMGYDIEP-FMIVXFBMSA-N 432.472 5.136 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2)Oc2cc(OCc3ccc(Cl)c(Cl)c3)ccc21 39754111 WHEDJXKVQZNPGT-FBHDLOMBSA-N 431.702 6.842 30 10 IKEE CC[C@H](Sc1nnc2cc(C)c3cccc(C)c3n12)C(=O)Nc1oc(C)c(C)c1C#N 40170487 FTAZASPPAVHMGV-SFHVURJKSA-N 433.537 5.090 30 10 IKEE Cc1ccc(S(=O)(=O)Nc2cc(Cl)c([C@H](C#N)c3ccc(Cl)cc3)cc2C)cc1 59239691 TWZDBBGJPMCUEA-HXUWFJFHSA-N 445.371 6.067 30 10 IKEE N#CCn1cc(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c2ccccc21 59246024 QNRPKHOHLHXRAX-LQKURTRISA-N 444.604 5.918 30 10 IKEE CC(C)(C)c1ccc(Oc2ccc(C(F)(F)F)cc2/N=C/c2cc(Cl)ccc2O)cc1 59463027 JLDOCEWYYUYQHL-IPPBACCNSA-N 447.884 7.905 30 10 IKEE Cc1ccc(CSc2nc3ccc(/N=C/c4cc([N+](=O)[O-])ccc4O)cc3s2)cc1 59517241 IYIHDXZMNNZOOD-FSJBWODESA-N 435.530 6.261 30 10 IKEE CCCCCCCOc1cccc(NCC(=O)Nc2ccc(C(=O)N[C@H](C)CC)cc2)c1 100090246 NPSPMMNWTDQAKI-HXUWFJFHSA-N 439.600 5.615 30 10 IKEE CCCCCCCCCCCCCCCCNCc1ccc(OCCOCC)c(OC)c1 100125357 QICUFTHQHUYQNW-UHFFFAOYSA-N 449.720 7.681 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(NC2CCCCC2)c1N 101509326 DOEVZALHBNRHCT-UHFFFAOYSA-N 431.713 7.697 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccc(OC)c2)cc1 169929494 PZHCQMAJTMLHLZ-QHCPKHFHSA-N 447.462 5.016 30 10 IKEE CCCN1C(=S)N[C@@H](c2ccc(OCCCc3ccccc3)cc2)C2=C1CCCC2=O 169929926 XKXNPXFKZJDMLZ-VWLOTQADSA-N 434.605 5.347 30 10 IKEE CCCCCCOc1ccccc1[C@@H]1NC(=S)N(CC)C(C)=C1C(=O)c1ccccc1 169931714 PXSXEYCIZOUBSO-DEOSSOPVSA-N 436.621 6.054 30 10 IKEE CCc1nc(N/N=C\c2cccc(OCc3ccc(Cl)cc3)c2)sc1C(=O)OC 169942707 WXWMYJGDLNZYLP-FMCGGJTJSA-N 429.929 5.171 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccc(O)cc2)c1 169959098 SFDXVMLQOXUDAL-RUZDIDTESA-N 427.500 5.111 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2nc3ccccc3[nH]2)c1 169973208 CLCNCMHCJZKCMF-QFIPXVFZSA-N 441.462 5.102 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(C(C)(C)C)cc2)s1 169975097 HUJRVESHOPTYKU-OAQYLSRUSA-N 446.572 5.840 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]2c2cccs2)s1 169986796 ZCFXTMDHLJISQS-QGZVFWFLSA-N 444.965 5.566 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@H]2c2cccs2)cc1 169986928 FAAXJNAQVRCICZ-NRFANRHFSA-N 437.948 6.055 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2ccncc2)cc1 170025494 XQGGSSAQGCKJFD-XMMPIXPASA-N 426.516 5.039 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(OC)c1 170121112 COADIMQAZZBYQP-FQEVSTJZSA-N 448.346 5.771 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccc(C)c2)c(C)c1 170138973 XUCRTTHVQLGOAN-JOCHJYFZSA-N 433.529 5.152 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccc(C)c2)ccc1Cl 170142668 KGSZFADNMWUDFL-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2cccs2)c1C 170158646 IJNDMSSCHPJLKG-JOCHJYFZSA-N 428.513 5.629 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccs1)c1cccc2ccccc12 170163190 QPHWBPCYUIRVBT-QFIPXVFZSA-N 426.497 5.075 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccs2)cc1 170163896 GQRRHCULPZTIJO-JOCHJYFZSA-N 439.577 5.694 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccncc1)c1ccc2ccccc2c1 170212555 XWWILKGKFWOTTQ-XMMPIXPASA-N 438.458 5.152 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccccc1 170227013 YPAQWOOZTTWOQF-NRFANRHFSA-N 437.854 5.271 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2)ccc1Cl 170227084 WPEZQNLRQNRNIO-QHCPKHFHSA-N 447.918 5.830 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2ccccc2)c1 170229405 FLXNPKBFCYRBSI-JOCHJYFZSA-N 435.426 5.146 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2F)c1 170248102 YRRIVCAMWYGPJW-JOCHJYFZSA-N 435.426 5.146 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccc2C)ccc1Cl 170272992 VUVBYRJRVPLNEX-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1c1ccccc1C 170273213 WZMCRMFGLPHXRY-SANMLTNESA-N 433.507 6.240 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@H]2c2ccco2)cc1 170288704 QOPHKAHGBHJFHF-NRFANRHFSA-N 437.879 5.423 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(Cl)c(Cl)c1)c1ccncc1 170379920 FPAZLCWMQBRFKE-IBGZPJMESA-N 443.261 5.310 30 10 IKEE CCCCCCCCCCOc1ccc(SC(=O)c2ccc(OCCCC)cc2)cc1 207592009 ICJMDNALZLRBQM-UHFFFAOYSA-N 442.665 8.318 30 10 IKEE c1ccc([C@H]2CC(=NN=C3C[C@H](c4ccccc4)Oc4ccccc43)c3ccccc3O2)cc1 254874433 YRRHIUDRTJZIPK-LOYHVIPDSA-N 444.534 6.928 30 10 IKEE C=C(C(C)C)[C@H](CC)CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 257377762 ALRMQDKADQHRGT-DCKOGHTBSA-N 440.756 8.581 30 10 IKEE COc1ccc([C@@H]2C(c3cccc4ccccc34)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1O 526491004 JEYIRJDZQMTFOP-AREMUKBSSA-N 448.478 5.483 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccs2)c1 526606147 WQKUEWFHZIEUNE-HSZRJFAPSA-N 430.529 5.856 30 10 IKEE CCCCCOc1ccc(/C=N\n2c(C)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1 526828694 LCZHWPGYRGKISA-HAHDFKILSA-N 439.541 5.238 30 10 IKEE C=C([C@H]1C[C@@]23CC[C@@]1(OC)[C@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5)C(C)(C)C 575627219 LONIMXCUBDTSNU-KNIFYMRWSA-N 449.635 5.219 30 10 IKEE C=CCCCCC[C@@H](N)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 686829427 UZLVEZCUEMPPJV-HSZRJFAPSA-N 429.649 5.400 30 10 IKEE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@@H](C#N)c1cc(Cl)ccc1Br 698469127 GCRSFTQIMWZVHL-BBRMVZONSA-N 429.742 5.083 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1 698823993 DZQMHFZTPIFOTQ-OSPHWJPCSA-N 445.560 5.118 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2cccc(OCc3ccccc3)c2)cc1 710772843 ZRCJUIPRULTMNC-VWLOTQADSA-N 428.532 6.580 30 10 IKEE COc1ccc([C@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)c(Br)c1 710815607 DBMLOHQXFKUPQY-IBGZPJMESA-N 431.330 5.460 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C1 724090286 DMWLLVSEMCDXTC-SBUREZEXSA-N 449.617 5.462 30 10 IKEE Cc1ccccc1C=Nc1cc2c3c(c1)[C@H](c1ccccc1)CCN3CC[C@H]2c1ccccc1 1083923945 ADUWLHJXDRIDLW-VMPREFPWSA-N 442.606 7.623 30 10 IKEE C=CC[C@@H]1CCN(C(=O)[C@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)C1 1540089589 LSGPGVDCMYUETG-JKSUJKDBSA-N 439.606 5.110 30 10 IKEE Cc1ccc(-n2c(C)cc3c2CC(C)(C)CC3=NOC(=O)Nc2ccc(Cl)cc2)cc1 1772728735 WHFUUIVSVSZGKU-UHFFFAOYSA-N 435.955 6.673 30 10 IKEE COc1cccc(/C=C2/SC(=Nc3ccncc3Cl)N(C3CCCCC3)C2=O)c1 1772739287 ZPIRBWWGAZMBNH-RLPJPJOASA-N 427.957 5.680 30 10 IKEE N#Cc1ccccc1NC(=O)Oc1cccc2c(NC(=O)Cc3cccs3)cccc12 1858770370 HSZAVKHLROMLHU-UHFFFAOYSA-N 427.485 5.565 30 10 IKEE CCc1nc2c(Br)cccc2c(C(=O)Nc2oc(C)c(C(C)=O)c2C#N)c1C 1859655135 HUZGNEVLCDBLOP-UHFFFAOYSA-N 440.297 5.096 30 10 IKEE COc1ccc2c(=O)c(-c3ccccc3)c(C(=O)Nc3sc(C)c(C)c3C#N)oc2c1 1859760521 KZJYXAPWQCYBAW-UHFFFAOYSA-N 430.485 5.271 30 10 IKEE CC(C)COc1ccc(N(C(=O)c2cccc(C#N)c2)[C@@H](C)CCc2ccccc2)cc1 1859994299 UGIRFWJNENDRCW-QFIPXVFZSA-N 426.560 6.261 30 10 IKEE O=C(/C=C/c1cccc2ccccc12)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 1860727836 IHPFZYFWBPREPP-FYWRMAATSA-N 427.887 6.507 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccccc2)c1)C(=O)NC1CCCCCCCCCCC1 1860734808 RGCDHSJRZHSUJI-QZQOTICOSA-N 447.619 6.637 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2c(F)cc(F)cc2F)n(Cc2ccc(Cl)cc2)n1 1862343997 SFEJQXGZDAXVFM-UHFFFAOYSA-N 445.872 5.483 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(C)cc2)n(-c2ccc(Br)cc2)n1 1862378106 RECJYKYRZOELCC-UHFFFAOYSA-N 436.353 5.424 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccccc2F)cc1 1862391121 SPCOEVNZHYRDDP-XYURVEJXSA-N 449.566 6.325 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2ccc(OCCC)cc2)cc1 1862397372 KVRRGJBMYLGFDS-DEOSSOPVSA-N 435.564 5.806 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2ccc(OCCC)cc2)cc1 1862397373 KVRRGJBMYLGFDS-XMMPIXPASA-N 435.564 5.806 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1C 1862405939 ISCAKVCHPXFUQO-LJQANCHMSA-N 432.303 5.051 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccc(Cl)c2)[C@H]1c1ccccc1)c1ccc(F)cc1F 1862412366 CDZCAGOAQBRTNZ-NRFANRHFSA-N 439.845 5.397 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2cccnc2)cc1 1862444525 AHPCPKDJMRTYHS-QFIPXVFZSA-N 432.907 5.076 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862445187 QJNFBUUUMXDVAM-QHCPKHFHSA-N 437.967 6.204 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccc(F)cc2)cc1 1862502267 VKNWXKACJNMXKY-QHCPKHFHSA-N 449.453 5.060 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C[C@H](C)O)cc1 1862584137 QLYZDAZASPXSNX-RNODOKPDSA-N 448.346 5.076 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)c1 1862614088 XMYWEXKTAWRTQB-GMAHTHKFSA-N 433.548 5.050 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1c(Cl)cccc1Cl 1862633911 QXMRERASULJEEM-WYRIXSBYSA-N 448.302 5.099 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(Cl)c(Cl)c1 1862634191 VTIBJUMBJKQJPK-WYRIXSBYSA-N 448.302 5.099 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2ccc(F)cc2)cc1F 1862638475 BZDWUNJQXSLSNB-QHCPKHFHSA-N 449.453 5.060 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)c1 1862648907 MCVYMAMHRCPTJA-YZXAJQSBSA-N 439.555 6.305 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(O)cc1 1862713819 XMDUROSCAHISKX-XMMPIXPASA-N 429.516 5.704 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)c1 1862736018 FJFPJIBYKFBDCN-SBUREZEXSA-N 442.471 5.243 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(C(C)(C)C)cc1 1862755544 CYJSIXBAYIERTD-OAQYLSRUSA-N 436.508 5.127 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(F)c(Cl)c3)C2=O)cc1 1862891148 RRTBUEZRCRIKDD-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE CC(C)(C)c1ccccc1NC1=C(c2ccccc2F)C(=O)N(c2ccc(C#N)cc2)C1=O 1862925924 MOUZESUXWPDYIA-UHFFFAOYSA-N 439.490 5.391 30 10 IKEE CCCCCCCCCCCC(=O)NCc1ccc2n1CCN(C(=O)OC(C)(C)C)[C@@H]2C 1865984805 KIVVCAOTQNBNDB-OAQYLSRUSA-N 447.664 6.337 30 10 IKEE Cc1ccccc1-c1nc(Nc2ccc(C#N)cc2)cc(N2CCO[C@H](c3ccncc3)C2)n1 1868311042 KKPSYRUYOSEBKJ-DEOSSOPVSA-N 448.530 5.040 30 10 IKEE N#Cc1nnn(Cc2cccc3ccccc23)c1NC(=O)/C=C/c1ccc(Cl)cc1Cl 1870107407 IEHORLUQPGLRCI-PKNBQFBNSA-N 448.313 5.310 30 10 IKEE C=CCOc1cn(C[C@H](c2ccccc2)N2CCCC2)c(CSc2ccccc2)cc1=O 1870245953 LURMDZJJRBCIRS-RUZDIDTESA-N 446.616 5.543 30 10 IKEE CCCCCCCCCCn1cc(OCC)c(=O)cc1CN(CC)CCc1ccncc1 1870367039 PDHFLBRLLNQFDT-UHFFFAOYSA-N 441.660 5.847 30 10 IKEE CCCCCCCCCCn1cc(OCCCCCC)c(=O)cc1CN(CCC)CCC 1870673269 BKAPCGSIVKWVMW-UHFFFAOYSA-N 448.736 7.570 30 10 IKEE C=CCOc1cn(Cc2cccc(C)c2)c(CNc2ccc(OCC)c(OCC)c2)cc1=O 1870809447 CRSGNCWHXNDUCT-UHFFFAOYSA-N 448.563 5.179 30 10 IKEE CCCCCCCOc1cn(CCCC)c(CNc2ccc(NC(C)=O)cc2)cc1=O 1870832521 XRHFKLREDKQEMQ-UHFFFAOYSA-N 427.589 5.568 30 10 IKEE CCCCCCCOc1cn(C[C@@H]2CCCO2)c(CNc2cccc(N(C)C)c2)cc1=O 1870833900 ZDLAKQAEPGUWSU-DEOSSOPVSA-N 441.616 5.055 30 10 IKEE Cc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCC(C)C)cc1C 1871254933 MDUVIRPXEYGKHO-UHFFFAOYSA-N 429.564 5.574 30 10 IKEE CN(C)CCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(-c2ccccc2)cc1)C3=O 1871346209 OUDONQGZBMKVBU-ONUIUJJFSA-N 440.543 5.073 30 10 IKEE C[C@H]1CCCC[C@H]1N1COc2ccc3c(c2C1)O/C(=C\c1ccc(C(C)(C)C)cc1)C3=O 1871350563 LDNILUZAYKPXGV-GUKJUKFXSA-N 431.576 6.331 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc4c3CN(C[C@@H](O)c3ccc(Cl)cc3)CO4)C2=O)cc1 1871352903 HDTLZRJXVAXKKV-CBOXRNDFSA-N 447.918 5.150 30 10 IKEE COc1ccc([C@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2ccccc2F)C4=O)cc1 1871354358 OHHTVFJYQVWUSH-XLFQKYORSA-N 431.463 5.364 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1[N+](=O)[O-] 1871374824 DTNRWNYYNRXSFX-NHDPSOOVSA-N 449.846 5.700 30 10 IKEE Cc1cc(O)c(CN2CCC[C@H](C)C2)c2c1C(=O)/C(=C/c1ccc(Br)cc1)O2 1871396379 CMVKWTVGFDPACA-GNKPEBMXSA-N 442.353 5.311 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2)cc2c1C(=O)/C(=C/c1ccccc1Cl)O2 1871404023 GSYLDYSGDOWVEB-GLFIFPSUSA-N 433.891 5.671 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccncc1)C2=O 1871414342 SRYSFQIDNFXIGD-YSUUHWHMSA-N 448.906 5.374 30 10 IKEE COc1ccc(OCCOc2cc(C)c3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871414737 MORSRXQHLZEEFU-UCQKPKSFSA-N 436.891 5.731 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1ccc2c(c1C)O/C(=C\c1cccs1)C2=O 1871429131 IZGJKEGUWZRDTJ-CBAAQYGVSA-N 428.550 5.954 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OCc4cccc5ccccc45)ccc3C2=O)cc1 1871433449 GELCNOGBSUKHRX-MIXAMLLLSA-N 449.550 6.881 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(F)cc2)[nH]c(=NCCCCCCCC)[nH]1 1871738771 IJDKBSXZCOBGND-UHFFFAOYSA-N 444.643 6.143 30 10 IKEE COc1ccc(OC)c(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)c1 1872760512 QFZSPABHDAHLRY-XBFAEUMISA-N 444.556 5.596 30 10 IKEE COc1ccccc1-c1csc([C@@H](C#N)C(=O)c2c(Cl)ccc(Cl)c2Cl)n1 1872767767 ZWLWQPIQDBEEMZ-NSHDSACASA-N 437.735 6.269 30 10 IKEE COc1ccc(C)cc1-c1csc([C@@H](C#N)C(=O)/C=C/c2ccc(Cl)cc2Cl)n1 1872770708 CGPQOXYQJVDHQU-UABRLCRWSA-N 443.355 6.324 30 10 IKEE COc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1OC 1872778358 JRMBFSCNMDKSHT-LJQANCHMSA-N 434.561 5.480 30 10 IKEE COc1cc(-c2csc([C@H](C#N)C(=O)c3ccc4cc[nH]c4c3)n2)c(OC)cc1Cl 1872782035 BJVCSQBOTMKYGJ-OAHLLOKOSA-N 437.908 5.452 30 10 IKEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)Nc3cccc(N(C)C)c3)cc2[nH]1 1872807106 BFAQQRFRSXIAIA-UHFFFAOYSA-N 442.519 5.025 30 10 IKEE C=CCc1ccccc1OCc1ccc(C(=O)NCc2ccc(C(=O)OC(C)C)cc2)cc1 1872859561 WJNZCSNTSACGFC-UHFFFAOYSA-N 443.543 5.489 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(CCCC)cc2)=C(c2ccccc2Br)C1=O 1873253871 RJCIJEIDPHCAEO-UHFFFAOYSA-N 439.353 5.170 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C(C)C)c(C)c2)=C(c2ccccc2)C1=O 1873413436 BUPWUNBSBNYATM-UHFFFAOYSA-N 432.608 6.671 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(F)c2)cc2c(NCc3ccccc3Cl)ncnc21 1873605652 MEMBFFYWPURLRX-UHFFFAOYSA-N 435.890 5.274 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(OC)c(OC)c2)n1/N=C/c1sccc1C 1874218790 DLPHAICTOJKWFS-YDZHTSKRSA-N 442.610 5.001 30 10 IKEE COc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2cccc(C)c2)cc1 1874292130 NCSCETUINCFMOG-WGOQTCKBSA-N 444.560 5.349 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccc(C)c(C)c3)n2/N=C/c2ccco2)cc1 1874318862 MSVVWZQAWILRCE-AFUMVMLFSA-N 432.549 5.550 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2/N=C/c2ccncc2)c1 1874357082 OOTDWXNPUYITLA-JVWAILMASA-N 427.577 5.364 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccccc2)n1/N=C/c1ccccc1OC(C)C 1874425953 JKURWJLWVRTQCU-WPWMEQJKSA-N 442.588 6.215 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccccc3)n2/N=C/c2ccc(C(C)C)cc2)c1 1874428640 TURVDLBGBKHRDN-OGLMXYFKSA-N 440.616 6.860 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2Cl)nnc1C(F)(F)F 1874462950 MIRKASILNWWYRX-PGGKNCGUSA-N 445.297 6.087 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1/N=C/c1ccc(Cl)cc1Cl 1874477438 ACMVNJGZJDESFL-ZMOGYAJESA-N 433.408 6.410 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1sccc1C 1874508801 WDWSFNPEWRGTHI-UFFVCSGVSA-N 425.410 6.082 30 10 IKEE COc1cc(/C=N/n2c(S)nnc2C2CCCC2)ccc1OCc1cccc(Cl)c1 1874559728 KQCZXKDKMHFZBC-ZMOGYAJESA-N 442.972 5.348 30 10 IKEE C[C@H](c1ccccc1)c1nnc(S)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874561166 GQYZFHUOCQTKOE-CIRUFVMISA-N 448.979 5.833 30 10 IKEE CCCCC1CCC(c2nnc(S)n2/N=C/c2cccc(Oc3ccccc3)c2)CC1 1874563568 KJEUPOHDPINXAZ-NLRVBDNBSA-N 434.609 6.705 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C)cc2C)c1OCc1ccc(Cl)cc1Cl 1874579064 UYNKRBBEGLUPPB-FMIVXFBMSA-N 441.354 7.094 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(C(C)C)cc2)c1OCc1cccc(C)c1 1874583838 JGDNQMGRIVGTOD-OUKQBFOZSA-N 434.963 7.256 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(C(=O)OC)o1 1874614338 LZHIHZKKUYRFHZ-NYYWCZLTSA-N 440.879 5.593 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(OC)c1OCC(=O)OCCC 1874620195 NONXTQSEIORKEV-DHZHZOJOSA-N 426.484 5.099 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCCO)c(Br)c2)cc1C(C)C 1874627193 LEFCQNYNQZNHHK-FNORWQNLSA-N 433.342 5.157 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OCc1ccccc1F 1874633061 KDNKENLWFCWYAA-WYMLVPIESA-N 430.519 6.655 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CC1CCCCC1 1874660843 SALIXMVNNQPWIT-RUZDIDTESA-N 439.644 5.642 30 10 IKEE CCCCC1CCC(C(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)c2)CC1 1874693615 NYKUINUUJFKARE-XMHGGMMESA-N 444.615 7.364 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2cc(Cl)ccc2Cl)c1)c1ccc(F)cc1F 1874699691 IKEAWGPSTMLDGL-RUDMXATFSA-N 433.237 6.387 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(-n4cccc4)cc3)c2)cc1 1874706135 QUOLEHPBQSTOGU-GIJQJNRQSA-N 449.550 6.890 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1OC(=O)Cc1ccc(C)c(C)c1 1874707441 FVBUWCLFGVLENE-RMKNXTFCSA-N 444.483 5.085 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1cccc(/C=C/C(=O)c2ccc(F)c(F)c2)c1 1874709199 ACYUHMSFNXVIQR-SDNWHVSQSA-N 428.434 6.162 30 10 IKEE Cc1cc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C(C)C)cc3)c2)ccc1Cl 1874709581 INLCNDWFBLJWLA-VGOFMYFVSA-N 448.946 6.652 30 10 IKEE COc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3c(C)cc(C)cc3C)c2)cc1[N+](=O)[O-] 1874716556 YEGXFMMEGWUDQE-CSKARUKUSA-N 445.471 5.644 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3ccco3)c(OC)c2)cc1 1875106706 HMAXFKJDAPMKNB-SDNWHVSQSA-N 434.488 5.755 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(C)c3)c(OC)c2)cc1 1875107834 LNAQFLNQKSDFEM-FOWTUZBSSA-N 428.528 6.462 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc1OCC 1875109400 MBJZWSCFIXXSSH-PKNBQFBNSA-N 430.928 6.047 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1Cl)c1ccc2c(c1)OCO2 1875113411 GJRMCCXIQWEILO-VMPITWQZSA-N 441.266 5.837 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)CCCOc1ccc(C)cc1 1875128613 LPSNTYQCOLDURO-GHRIWEEISA-N 444.527 6.054 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccccc1 1875132378 QTVNDUVZDWIQFB-YRNVUSSQSA-N 427.283 6.117 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1cccc(F)c1 1875136778 WPUWGNMOJBPOTO-SDNWHVSQSA-N 430.475 5.987 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)CCc1ccccc1 1875137802 FPGLPGRCLVHILM-WYMLVPIESA-N 444.527 5.755 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1[N+](=O)[O-])c1ccccc1F 1875155412 WXBDJADSSPWTQA-WYMLVPIESA-N 441.414 6.002 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)c1ccncc1 1875155870 DLWXIYWNEFJGEI-RUDMXATFSA-N 435.907 5.982 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)c3ccccn3)c(OC)c2)c1 1875172547 AFJADECRWYQKEY-FMIVXFBMSA-N 447.487 5.003 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C12CCCC2 1880369383 PIOWWKBYSIFLIV-RUZDIDTESA-N 441.572 5.250 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(CCC)CCCN(C(=O)OC(C)(C)C)C1 1922067350 AWNDXNHCVUPECF-RPLLCQBOSA-N 444.660 5.945 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1[C@@H]2CCC[C@@H]2CN1C(=O)OC(C)(C)C 1922113026 PPGOIBHWWVQDMH-JLLPCOHGSA-N 428.617 5.163 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)C(C)(C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1922123500 AOFAXBXNVVPKOV-DHIUTWEWSA-N 430.633 5.411 30 10 IKEE CC1(C)CC[C@](C#N)(Nc2cccc(Br)c2)[C@@H](CNC(=O)OC(C)(C)C)C1 1927167432 TWVLQSNFHPEMBA-QVKFZJNVSA-N 436.394 5.474 30 10 IKEE CCCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1c(Br)cccc1Br 1931397493 HKZRSJFIQYFMBP-ZDUSSCGKSA-N 432.156 5.423 30 10 IKEE CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 1941060596 CPGNEVSXOLBMSK-YADARESESA-N 437.625 5.778 30 10 IKEE C=C([C@H](NCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)C(C)(C)C 1997461936 PSCBBDAWCUGMBM-NVQXNPDNSA-N 430.633 5.411 30 10 IKEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1999941160 LXKHFTNJAUHKTK-HJPURHCSSA-N 449.979 5.621 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@]1(NC(=O)OC(C)(C)C)CC[C@H](CC)CC1 2018517518 ZJHNKIJXLDMZCY-KJOQGJGQSA-N 430.633 5.601 30 10 IKEE CC#CCCCC[C@@H](NC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2019498673 SFXXBQXZZXHSTN-BVAGGSTKSA-N 428.617 5.002 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CN(Cc2ccccc2)C2(CCCCCC2)C1 2038912918 LQICXSHNQLEARU-CUNXSJBXSA-N 439.644 6.283 30 10 IKEE Cc1c(Cl)cc(C[C@]2(C#N)CCCN(C(=O)OC(C)(C)C)C2)cc1Br 2048641580 ZIWIRWGJOFVAJM-IBGZPJMESA-N 427.770 5.494 30 10 IKEE CC[C@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C2(C)CC2)c(C=NO)c1Br 2080021927 CGVTTXKEDRJBJE-CQSZACIVSA-N 448.258 5.663 30 10 IKEE CCCC#CC[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCC 2083434557 SPILMYUXESLNPR-XMMPIXPASA-N 441.660 5.108 30 10 IKEE C=C([C@H](NCCC)c1cc(Br)ccc1I)C(C)(C)C 2096625814 VMHNQWIZVJPEPT-HNNXBMFYSA-N 436.175 5.697 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCCCC(F)(F)C1 2112642970 GKZHOVZJBGPEGR-SFHVURJKSA-N 429.305 6.052 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Cl)cc(Br)c1 2136661619 SZVBJPVIMZCJBE-MSOLQXFVSA-N 443.813 5.450 30 10 IKEE N#Cc1c(F)cc(Br)cc1NC[C@@]12CCC[C@@H]1CN(Cc1ccccc1)C2 2163689630 INRMIQJEDXWOQI-VGOFRKELSA-N 428.349 5.174 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H](Nc2ccc(Br)cc2C#N)C(F)(F)CC1 2197022930 DZECQBPLSAUNMP-INIZCTEOSA-N 444.320 5.158 30 10 IKEE C[C@H]1CC(=O)C=C(c2sc(Br)c(Br)c2Br)C1 2212247462 CHSOPPOYJOBYDV-RXMQYKEDSA-N 428.971 5.418 30 10 IKEE C=CCN(C[C@@H](NCCC)c1cc(C)c(Br)c(C)c1)C(=O)OC(C)(C)C 2227362140 KUOKEDCEOCOSHR-GOSISDBHSA-N 425.411 5.530 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@H](C#N)c1sc(Cl)cc1Br 2259920222 KRNVJETYTIBKGO-CYBMUJFWSA-N 445.741 6.309 30 10 IKEE C=C1C[C@@H]1C[C@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2262969032 JEKXTZVBKBGODT-VPUSJEBWSA-N 429.560 5.827 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](CNc2c(Br)cccc2C#N)CC12CCC2 2285156426 QWLPEQLNRXTQGG-HNNXBMFYSA-N 434.378 5.302 30 10 IKEE CC(C)(C)OC(=O)NCCCc1ccccc1Nc1c(Br)cccc1C#N 2285232957 CSNGRIXFCRTQDB-UHFFFAOYSA-N 430.346 5.522 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)C[C@@H](CCC)NC(=O)OC(C)(C)C 2296267739 WQAASCUNCHCCOD-VQTJNVASSA-N 437.422 5.252 30 10 IKEE CN[C@@H](C#Cc1cccc(Br)c1)c1ccc(N(C)C(=O)OC(C)(C)C)cc1 2296274665 VJJBPTDCVFISDW-FQEVSTJZSA-N 429.358 5.133 30 10 IKEE C[C@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)C#Cc2ccc(Br)cc2)cc1 2296275764 AIXHZVZVWHBOBF-HNNXBMFYSA-N 428.326 5.269 30 10 IKEE Cc1ccccc1N1C(SCC(=O)O)=NC(=Nc2ccc(Cl)cc2)C12CCCCC2 2297730642 FEIRQGDVWNVJAJ-UHFFFAOYSA-N 441.984 6.075 30 10 IKEE O=C1NC(=Nc2ccccc2Cl)SC1=Cc1cccc(OCc2ccccc2F)c1 2313507371 IHIJPKPYLKDIEW-UHFFFAOYSA-N 438.911 5.950 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O)c1ccc(Cl)cc1 2314438516 VVSAIQJMZSHTQJ-UHFFFAOYSA-N 425.267 5.871 30 10 IKEE CCOc1ccc(C=Nn2c(C)nnc2SCc2ccc(Cl)cc2)cc1OCC 2318574043 DIVSYRASTKXBRT-UHFFFAOYSA-N 430.961 5.212 30 10 IKEE COc1cccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C2CC2)c1OC 2320920970 OPOCRFBGPSMLBQ-UHFFFAOYSA-N 446.935 5.140 30 10 IKEE Cc1cc(OCc2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1cn(C)c3ccccc13)O2 2321767398 HBVLYYCEBDJRID-UHFFFAOYSA-N 429.903 6.335 30 10 IKEE Cc1c(OCC=Cc2ccccc2)ccc2c1OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2321817164 ZGWJZCSPFVZBEH-UHFFFAOYSA-N 437.322 7.010 30 10 IKEE Cc1cc(OCc2ccc(Br)cc2)cc2c1C(=O)C(=Cc1cccc(F)c1)O2 2321842187 UUNCBHDUMYCWGN-UHFFFAOYSA-N 439.280 6.092 30 10 IKEE C=Cc1ccc(COc2cc(C)c3c(c2)OC(=Cc2ccc(-c4ccccc4)cc2)C3=O)cc1 2321876481 HYPCSJIUKQWLRX-UHFFFAOYSA-N 444.530 7.500 30 10 IKEE Cc1ccsc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(CCc1ccc(F)cc1)C3 2321937214 ZTYDLQYUUMAGSX-UHFFFAOYSA-N 435.520 5.515 30 10 IKEE COc1ccccc1CN1COc2cc(C)c3c(c2C1)OC(=Cc1cccc(C)c1)C3=O 2321993927 XOSVJKJSUJDPAM-UHFFFAOYSA-N 427.500 5.280 30 10 IKEE CCCOc1ccccc1C=Nn1c(S)nnc1COc1ccc(C)cc1C(C)(C)C 2322260348 AQDYBKUOBZVMQF-UHFFFAOYSA-N 438.597 5.423 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(F)c(F)c2)c1OCC(=O)Nc1ccc(F)cc1 2322785072 NLVVPWBRYWOAIU-UHFFFAOYSA-N 441.405 5.026 30 10 IKEE COc1cccc2cc(C(=O)Oc3cc(C)c4c(c3)OC(=Cc3cccc(F)c3)C4=O)oc12 2322860350 NYZDZLCBNYKQBT-UHFFFAOYSA-N 444.414 5.724 30 10 IKEE Cc1c(OC(=O)c2cccc(Br)c2)ccc2c1OC(=Cc1cccs1)C2=O 2322931755 QWJKOTJRNWPCKA-UHFFFAOYSA-N 441.302 5.654 30 10 IKEE O=C(COc1ccccc1)Oc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1Cl)C2=O 2322945336 UUEJAJVPAFENKM-UHFFFAOYSA-N 441.266 5.594 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccccc2OCC(=O)Nc2cccc(C)c2)cc1C 2322981320 QKVKFPDMXUDHAE-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Br)c2)cc1OCc1ccc(C)cc1 2323097855 UCCBWZNWDVMGKI-UHFFFAOYSA-N 437.333 6.241 30 10 IKEE Cc1cc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2F)C3=O)ccc1[N+](=O)[O-] 2323279697 VXXBLNAJOKWFPZ-UHFFFAOYSA-N 433.391 5.186 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cccc(OCC(=O)Nc2ccccc2C)c1 2323290880 MMGBIIXHCNJOJG-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCOc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1 2323511287 JWLQLWCZNKJSMR-UHFFFAOYSA-N 446.886 5.974 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(OC)ccc2OC)ccc1OCc1ccc(C)cc1 2324029714 DSVSMDKFKDVBOY-UHFFFAOYSA-N 432.516 5.886 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OCC(=O)Nc1cccc(C)c1 2324184813 XYTBHJZLWINAPQ-UHFFFAOYSA-N 449.478 5.065 30 10 IKEE CCCOC(=O)COc1ccc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC 2324269467 CGBLHTCFFJTOAZ-UHFFFAOYSA-N 440.536 5.364 30 10 IKEE CC(C)c1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 2324356805 ZSXPPHFPOMYESK-DEOSSOPVSA-N 426.585 6.702 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2OC)ccc1OCc1cccc(C)c1 2324475096 PFKREUUJAZXCPA-UHFFFAOYSA-N 432.516 5.886 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)cc2OC)cc(OC)c1OCc1ccccc1 2324475177 BVBFTYGGLBQZGC-UHFFFAOYSA-N 444.527 5.916 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3cc(OC)ccc3OC)n2)cc1 2324545872 VMMRDMIDEHKJLY-OAQYLSRUSA-N 448.544 5.506 30 10 IKEE Cn1cc(C=C2Oc3cc(OCCOc4ccc(Cl)cc4)ccc3C2=O)c2ccccc21 2324670236 DYBDRZJLPHXASK-UHFFFAOYSA-N 445.902 5.906 30 10 IKEE CCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2325592941 VYMRNRMMDISYJI-UHFFFAOYSA-N 436.324 5.230 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccc(F)c(C)c3)c2)cc1 2325718157 MTOGWPIHEHGTMI-UHFFFAOYSA-N 434.463 5.196 30 10 IKEE COc1cc(OC)c(OC)cc1C=C1Oc2cc(OCc3cccc(C)c3)cc(C)c2C1=O 2325721100 MSECDEJYKSBXOG-UHFFFAOYSA-N 446.499 5.524 30 10 IKEE C=CCSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1ccccc1C 2325883914 XLXRJSHCIXQRTA-UHFFFAOYSA-N 442.588 5.912 30 10 IKEE CCOc1ccccc1C=Nn1c(CC)nnc1SCc1ccc(Br)cc1 2326619538 CDOQYAVXLSAMKV-UHFFFAOYSA-N 445.386 5.176 30 10 IKEE CCCOc1ccc(C=Nn2c(CC)nnc2SCc2ccc(Cl)cc2Cl)cc1 2326703406 MRMZFECOCBCQAQ-UHFFFAOYSA-N 449.407 6.111 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1cccc(Cl)c1 2327571156 SSFIXVHSVUYZDA-UHFFFAOYSA-N 433.364 5.714 30 10 IKEE C=CCSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1cccc2ccccc12 2328568569 JTEKKHLVSCBLAM-UHFFFAOYSA-N 428.561 5.581 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1ccc2c(c1)OCCO2 2328944897 ZFDNJAHFLWOYCP-UHFFFAOYSA-N 448.592 5.002 30 10 IKEE COc1ccc(Cc2nnc(SCc3cccc(C)c3)n2N=Cc2ccccc2O)cc1 2329252630 ZTHLCGOBKXLJJW-UHFFFAOYSA-N 444.560 5.066 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3cccs3)n2N=Cc2ccncc2)c1 2329667554 JUKFBOIPZYWUTJ-UHFFFAOYSA-N 433.606 5.311 30 10 IKEE Cc1ccc(C=Nn2c(Cc3ccc(C)cc3)nnc2SCc2cccc(Cl)c2)cc1 2330032538 GXXRQRXGEAOHHD-UHFFFAOYSA-N 447.007 6.314 30 10 IKEE C(=Nn1c(CC2CCCCC2)nnc1SCc1ccccc1)c1cccc2ccccc12 2330271366 QJILCRJJKVQHNU-UHFFFAOYSA-N 440.616 6.729 30 10 IKEE O=C(O)c1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2-c2cccs2)cc1 2330539584 VLRRCLRKQPAFSI-UHFFFAOYSA-N 438.509 5.018 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2-c2cccs2)cc1 2330551982 SKSJVQRYIJBZQO-UHFFFAOYSA-N 434.590 5.888 30 10 IKEE CCC(=O)Oc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1Br 2330600550 XEEWWVKVEKJSGJ-UHFFFAOYSA-N 435.317 6.328 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1ccccn1 2330609125 CJFIWDMTUJVNSZ-UHFFFAOYSA-N 449.506 6.263 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1Cl)c1cccc(F)c1 2330807566 DDQLCZHZTXPCJA-UHFFFAOYSA-N 449.692 6.901 30 10 IKEE Clc1cccc(CSc2nnc([C@H]3CCCO3)n2N=Cc2ccccc2Cl)c1 2331000956 AILQFWXXVFYCCO-GOSISDBHSA-N 433.364 5.611 30 10 IKEE CCCN(CCC)C(=O)CSc1nnc(C2CCCC2)n1N=Cc1ccc(Cl)cc1 2331086432 IWKPQVNHSNIXRI-UHFFFAOYSA-N 448.036 5.212 30 10 IKEE O=C(COc1ccc(Cl)cc1)Oc1ccc(C=CC(=O)c2ccccc2)cc1Cl 2331165801 DYYIUEHSEMAMTA-UHFFFAOYSA-N 427.283 5.874 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(SCc2cccc(F)c2)nnc1-c1ccco1 2331187315 UWBYHZUMTVFDLI-UHFFFAOYSA-N 436.512 5.639 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2-c2ccco2)cc1 2331187558 AOGJEBDBQZVEAR-UHFFFAOYSA-N 434.540 6.149 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Br)c1OC(=O)C(C)(C)C 2331229903 FUEFDPHKCLGZES-UHFFFAOYSA-N 445.353 5.922 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)C3CCCC3)c(OC)c2)cc1 2331300668 CEVGLJZCFMOXCB-UHFFFAOYSA-N 438.520 5.484 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)cc3)c([N+](=O)[O-])c2)cc1 2331305318 PVMCTXQMJDGJTE-UHFFFAOYSA-N 445.471 5.807 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2C(C)(C)C)cc1OC 2331373125 CBQLMWLMSLRMLM-UHFFFAOYSA-N 442.560 5.297 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OC(=O)c1ccccc1F 2331485583 IKMCCBFXAFJJLP-UHFFFAOYSA-N 426.443 6.103 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2OC)cc1 2331539973 LEVGFGJUIRSKMY-UHFFFAOYSA-N 448.490 5.667 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccccc2)c(Cl)c1 2331548715 ZZAPJTGYVICUPK-UHFFFAOYSA-N 448.946 6.761 30 10 IKEE C=CCCC1([C@H](O)c2cc(Cl)cc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2337170783 XEZIQSGMMNVXNH-MRXNPFEDSA-N 448.760 5.478 30 10 IKEE CC1(C)CC=C(B2OC(C)(C)C(C)(C)O2)CN1Cc1ccc(Cl)c(Br)c1 2362663012 YGKFHTLVNOIPMD-UHFFFAOYSA-N 440.618 5.645 30 10 IKEE CN[C@@H](C#CC1(OC)CCCC1)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2363606183 MWENJRVGWJUUDT-KRWDZBQOSA-N 437.378 5.019 30 10 IKEE Cc1ccc(NS(=O)(=O)c2ccc(/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2)c(C)c1 12482289 JGQOQWRPMHXFSR-YDZHTSKRSA-N 443.912 5.416 30 10 IKEE Cc1c(/N=N/c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(O)n(C2CCCC2)c(=O)c1C#N 39871245 MULHGVRLYVRWIW-OCOZRVBESA-N 435.362 5.192 30 10 IKEE C=CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(F)cc2)c1 39872798 XQMFEXTUBRASFI-HSZRJFAPSA-N 427.431 5.247 30 10 IKEE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1/C(=N/Nc1ccc(F)cc1)CCC2 40823832 XDHHYANNRJJDHT-UXHLAJHPSA-N 445.416 6.151 30 10 IKEE Cc1c(/C=C2/S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)c2ccccc2n1C 59302195 ZNCQXVVTARBBCL-RWBSCQHUSA-N 429.589 6.423 30 10 IKEE COc1ccccc1Oc1ccc(C(F)(F)F)cc1/N=C/c1c(O)ccc2ccccc12 59516508 BWRVTHMREQXFON-WKULSOCRSA-N 437.417 7.116 30 10 IKEE C=CCn1c(CNc2cccc3ccccc23)nnc1S[C@H](C)c1nnc(C2CCC2)o1 59877784 GZAMJBVNIKYLOC-MRXNPFEDSA-N 446.580 5.733 30 10 IKEE COc1ccc(-c2csc3nc(C)nc(/N=C4\NN=C(c5ccccc5)CS4)c23)cc1 62041413 DVNGKANWIRTXCD-UHFFFAOYSA-N 445.573 5.404 30 10 IKEE CC1(C)Oc2ccc(Cl)cc2N(CCC(=O)Nc2scc(C(C)(C)C)c2C#N)C1=O 96466897 ANHYVXCZTJNLBC-UHFFFAOYSA-N 445.972 5.103 30 10 IKEE CCCCCCCCCCCCOc1ccc(/C=N/c2ccc(C(=O)O)cc2)c(O)c1 101005656 RTZCUSYPSRURMI-NHFJDJAPSA-N 425.569 7.141 30 10 IKEE CCN1C(=O)/C(=C2\Sc3ccc(Cl)cc3N2CC)S/C1=N\CCc1ccccc1 102148918 LOKJFMSLYCLMKH-GRUILTLTSA-N 444.025 5.635 30 10 IKEE CCCCCCCCCCn1c(CCCCCNC(=O)[C@@H]2CCCO2)nc2ccccc21 102179301 ZPFQJVYBJIGGQF-VWLOTQADSA-N 441.660 6.185 30 10 IKEE N#CC1(C#N)[C@H](c2cccs2)[C@H](C(=O)c2ccc(F)cc2)N2c3ccccc3C=C[C@@H]21 169618332 YXTPEHBSPSFMKJ-DNVJHFABSA-N 425.488 5.171 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(C)c(C)c2)cc1 169924217 HIDYFQOOINXOFA-XMMPIXPASA-N 427.500 5.403 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@H]1c1ccccc1OC 169940930 LJFGZHVSZZJLPU-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE COc1cccc(/C=N\Nc2nc(-c3cccs3)cs2)c1OCc1cccc(C)c1 169941935 DHZWGWHLQRFUMP-CFRMEGHHSA-N 435.574 6.214 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(N(C)C)cc2)cc1 169956873 WPQCDJNRZROBPP-XMMPIXPASA-N 432.564 5.226 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(O)cc2)cc1 169958146 VRCKXIAFAFYVTA-HSZRJFAPSA-N 447.918 5.952 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccc(O)cc2)c1C 169960925 RZEIHSZOAKFPER-JOCHJYFZSA-N 433.891 5.445 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2cccc(C)c2)cc1 169968889 OIUPUVMBYFYQPS-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(Cl)ccc2C)[C@H]1c1ccncc1 170019529 KDSASTBIJZWWHH-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(C)c2)c1 170035838 PLHAQPGQRWTFIE-QHCPKHFHSA-N 431.463 5.316 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 170066594 XUPPLRCSUJJYIH-IFMALSPDSA-N 439.939 5.221 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2sccc2C)cc1 170105798 ZCSRFQTYVWANNG-NRFANRHFSA-N 433.529 5.465 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(O)cc2)ccc1OCC(C)C 170138512 OESKWTSCTUWJGX-DEOSSOPVSA-N 449.547 5.256 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccncc2)ccc1Cl 170209270 CZWDQQQUMWWFMM-NRFANRHFSA-N 440.927 5.045 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(OC)c3)[C@H]2c2ccccc2)cc1 170224281 DKJLGOFSSDUTSV-XMMPIXPASA-N 443.499 5.049 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccccc2)c1 170227783 ZFGRLROCDRNGQJ-RUZDIDTESA-N 435.479 5.637 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccccc2)cc1C 170234384 DUDNXLLATAXUKJ-XMMPIXPASA-N 445.490 5.311 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(F)cc2)c1 170238482 RICHCXARXGXGBQ-QHCPKHFHSA-N 449.453 5.537 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccccc1F 170247798 WYYKKXOHHUGVQD-JOCHJYFZSA-N 449.453 5.373 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2C)cc1C 170275515 WSRRWQBSFQYCIG-DEOSSOPVSA-N 433.548 5.613 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccco1 170296183 MHJZFXMJBKQEKR-HSZRJFAPSA-N 447.506 5.803 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccc(C)c(C)c2)o1 170301710 YVMJFFGOCJOLFE-QHCPKHFHSA-N 427.456 5.734 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2cccc(Cl)c2)o1 170303453 YTKLIRSAZQLJIU-NRFANRHFSA-N 433.847 5.771 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(Cl)c2)o1 170303497 GQYVYGUGMNURES-LJQANCHMSA-N 428.271 5.678 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2sccc2C)c(OC)c1 170315157 AGUFAILVAGIGMP-OAQYLSRUSA-N 449.528 5.165 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2sccc2C)c1 170315406 UCZAIGHBYYQRJF-JOCHJYFZSA-N 447.556 5.937 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@@H]1c1sccc1C 170318602 VMPULDLJMAZEBT-HXUWFJFHSA-N 441.593 5.741 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)[C@H]1c1ccc(N(C)C)cc1 170445729 FXSFNTOPMHPTGH-NRFANRHFSA-N 446.469 5.287 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1Cl 170470004 QFSCFUYGKSROIH-QHCPKHFHSA-N 439.983 6.461 30 10 IKEE CCN(CC)c1ccc2cc(-c3csc(NN=Cc4ccc(OC)cc4)n3)c(=O)oc2c1 252606561 GTJBEUKKECHZAI-UHFFFAOYSA-N 448.548 5.217 30 10 IKEE COc1ccc(-c2nc3cc(N=C/C=C\c4ccc(Br)cc4)ccc3o2)cc1 254399881 DNAKIAZHCDTYCD-KLRHYXIJSA-N 433.305 6.682 30 10 IKEE CC/N=C1\C[C@@H]2Oc3cc(NCC)c(C)cc3[C@H](c3ccccc3C(=O)OCC)[C@H]2C[C@H]1C 504679301 YLTLQPNBMWEMHP-RFAAPWBTSA-N 448.607 6.003 30 10 IKEE CCOc1cc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2sccc2C)ccc1OC 526515112 IKBXXGWVTAIDLO-QFIPXVFZSA-N 446.528 5.393 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(C)cc2)c1 526603704 BNPFRELCFDHUPN-SANMLTNESA-N 438.527 6.103 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2cccc([N+](=O)[O-])c2)cc1 526805907 VNRSYYFNKSTYKT-XYGWBWBKSA-N 443.532 5.260 30 10 IKEE CCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1c(C)n(CC)c2ccccc12 526823613 YYSNGKMJQBHAKL-YSMPRRRNSA-N 428.565 5.170 30 10 IKEE CC(C)COc1ccc(N(CCCC#N)S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 586252606 YLGDFVPZYVQECV-UHFFFAOYSA-N 428.598 5.518 30 10 IKEE C=C(CCC=C(C)C)[C@H]1CC[C@@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]3CC[C@]12C 642772319 WZAMDSBJONFHAO-JILRKQFMSA-N 426.729 8.335 30 10 IKEE CCCCCCC[C@@H](NCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 693653626 IDWKQIWOVUCHGG-BVAGGSTKSA-N 431.665 5.494 30 10 IKEE COCc1csc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)c1 710760651 OGGMPOVRFMHHLM-MRXNPFEDSA-N 437.359 5.663 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@](C)(C#N)Cc1ccc(F)cc1 710792838 HBFJIWPHDNVMBU-NRFANRHFSA-N 433.321 5.855 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@@H](C#N)c1ncc(Br)s1 714072691 ZGDPWECGIPNCBH-LBPRGKRZSA-N 428.739 5.565 30 10 IKEE O=C1/C(=C\c2cc(Br)c(O)c(Br)c2)Oc2ccc(Cl)cc21 1081083960 CJVGFLPKZPKSOT-WLRTZDKTSA-N 430.479 5.187 30 10 IKEE CC(C)N1C(=O)/C(=C2\SC(=Nc3ccccc3)N(C3CCCCC3)C2=O)c2ccccc21 1083920372 ZLXNDITXEAJULI-SHXUIJRESA-N 445.588 5.749 30 10 IKEE C=CCNC(=O)Oc1cccc2c(NC(=O)C(c3ccccc3)c3ccccc3)cccc12 1858933118 GZDCYYVHWCHXMD-UHFFFAOYSA-N 436.511 5.885 30 10 IKEE CSc1ccccc1C(=O)Nc1c(C#N)cnn1-c1cc(C)c2cc(C)cc(C)c2n1 1859657064 PQBWXODVSWGBGE-UHFFFAOYSA-N 427.533 5.192 30 10 IKEE Cc1ccc(C)c(OCC(=O)Nc2ccc(Cl)c(NC(=O)c3cccc(C#N)c3)c2)c1 1860450132 BZUCNIGCXKNYJA-UHFFFAOYSA-N 433.895 5.098 30 10 IKEE N#Cc1cccc(C(=O)N2CCC(c3ccc(OC(=O)c4ccc(F)c(F)c4)cc3)CC2)c1 1860705684 CUKCKPPDIKPAIO-UHFFFAOYSA-N 446.453 5.075 30 10 IKEE CC(C)(C)c1csc(NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)c1C#N 1860750026 MABIHZSAWZFOKS-UHFFFAOYSA-N 433.533 5.073 30 10 IKEE CCCCCCCCCCn1ccc(=O)c(OCC(=O)OC2CCC(C(C)(C)C)CC2)c1 1860774579 DVHVBUFNAFDVBH-UHFFFAOYSA-N 447.660 6.516 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)c1ccc(Br)cc1 1861336597 MGVZSDILSXUPBV-FQEVSTJZSA-N 439.438 5.605 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2cccc(Cl)c2)cc1 1862391602 DVBUSMCDHFFTHR-JOCHJYFZSA-N 441.955 5.297 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCCc2ccccc2)cc1 1862413094 VBWIZNIIDSIEGY-DEOSSOPVSA-N 447.481 5.484 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCc2ccccc2)cc1 1862414000 PTQKURPZMXIXQJ-DEOSSOPVSA-N 447.481 5.348 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(CC)cc1 1862414017 PYGRBTYUXHKGFY-QFIPXVFZSA-N 427.491 5.686 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCc2ccccc2)c1 1862432191 YIOWERBAGGGGPU-QHCPKHFHSA-N 447.918 5.170 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2cccc(C)c2)cc1 1862475407 KWTQFXREVFXTLC-VWLOTQADSA-N 425.528 5.699 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1 1862477654 ZLPYTCFWSAVFJO-XUZZJYLKSA-N 435.564 5.941 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccccc1C 1862535114 ZLUNBWLBGOJITH-DEOSSOPVSA-N 435.564 5.343 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(OCC)cc1 1862582621 IVCDLTJNWFQVJA-LJQANCHMSA-N 432.303 5.156 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@H]1c1ccc(Cl)cc1)c1cccc(O)c1 1862591695 MEYSFBHOWGKRRB-QHCPKHFHSA-N 447.918 5.257 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 1862667102 SLUFYQVVBFBPOK-RUZDIDTESA-N 447.619 6.876 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2C2CCCC2)cc1 1862696097 MYDULDRGHSXVHE-XMMPIXPASA-N 449.547 5.395 30 10 IKEE CCCCOc1ccccc1NC1=C(c2cccs2)C(=O)N(c2ccccc2C#N)C1=O 1863119710 BUYIARFERMPVNU-UHFFFAOYSA-N 443.528 5.195 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3c[nH]c4ccccc34)C2=O)c1 1863123578 VHRZSNLRDVWPHW-UHFFFAOYSA-N 432.483 5.053 30 10 IKEE N#Cc1ccccc1NC1=C(c2cccc3ccccc23)C(=O)N(CCc2cccs2)C1=O 1863231243 ZQCNGYZBIPXTDJ-UHFFFAOYSA-N 449.535 5.208 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)cc2Cl)=C(c2ccc(C)cc2)C1=O 1863274024 FMHVHVBNRHZEPF-UHFFFAOYSA-N 442.962 6.340 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccccn2)=C(c2ccccc2F)C1=O 1863644189 CVOJYNOSCITUIY-UHFFFAOYSA-N 437.559 5.231 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2OC)C(=O)N(Cc2cccnc2)C1=O 1863759948 KKHUKJMAYFXSAT-UHFFFAOYSA-N 449.595 5.101 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccccc2F)=C(c2ccccc2OC)C1=O 1863765321 UGMDSPSZSKKLIF-UHFFFAOYSA-N 438.543 5.065 30 10 IKEE Cc1cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1-c1ccccc1F 1868176131 FWKBSQRPBDYTFV-UHFFFAOYSA-N 431.311 5.610 30 10 IKEE COc1ccc2c(c1)CCN(c1cc(Nc3ccccc3C#N)nc(-c3ccccc3)n1)[C@H]2C 1868372369 FFDBFYBGCWXHEY-IBGZPJMESA-N 447.542 5.891 30 10 IKEE Cc1nc(Nc2ccccc2C#N)cc(N2CCC[C@@H]2Cc2ccc(Br)cc2)n1 1868490883 WECJZBUGANAMEH-HXUWFJFHSA-N 448.368 5.374 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC(N3CCCCCC3)CC2)nc(-c2ccc(F)cc2)n1 1869279572 CFFQPRVNISJCNQ-UHFFFAOYSA-N 449.618 5.306 30 10 IKEE C=CCn1cc(OCCCCCCC)c(=O)cc1CNc1ccc(Cl)c([N+](=O)[O-])c1 1870833549 NKZUQZSUNMNNQU-UHFFFAOYSA-N 433.936 5.557 30 10 IKEE CCCCCCCOc1cn(CCC2=CCCCC2)c(CNc2cccc(C)c2)cc1=O 1870839258 DKXBTBIHLYMHOI-UHFFFAOYSA-N 436.640 7.009 30 10 IKEE C=CCn1cc(OCc2ccc(C(C)C)cc2)c(=O)cc1CNc1ccc(OC)c(OC)c1 1870896973 AXAPDMMMYCCUEC-UHFFFAOYSA-N 448.563 5.366 30 10 IKEE C=CCn1cc(OCc2c(C)cccc2C)c(=O)cc1CNc1cccc(C(C)(C)C)c1 1870920512 RTECQOPSJNEZDA-UHFFFAOYSA-N 430.592 6.140 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc4c3CN(CCc3ccc(C)cc3)CO4)C2=O)cc1 1871348127 SGPLMIXEKLJPGZ-QQXSKIMKSA-N 441.527 5.405 30 10 IKEE CC1(C)C[C@H]2C[C@@](C)(CN2Cc2c(O)ccc3c2O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)C1 1871394396 VOUXNXQJHWUGBN-UHZMZGNXSA-N 448.519 5.317 30 10 IKEE Cc1cc(OCCOc2ccccc2F)cc2c1C(=O)/C(=C/c1ccc(N(C)C)cc1)O2 1871417038 JRMBSDYFAJYOIC-IWIPYMOSSA-N 433.479 5.274 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(C(F)(F)F)cc2)ccc2c1O/C(=C\c1ccco1)C2=O 1871442375 DCLQSAFEFDMFKN-ODLFYWEKSA-N 443.377 5.241 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2Cl)C3=O)c1 1871454644 VVDDSZAAXMGIOT-FMCGGJTJSA-N 447.918 5.899 30 10 IKEE CCc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871454754 WFYUMZSCSYZCNM-QRVIBDJDSA-N 447.918 5.845 30 10 IKEE Cc1cccc(COc2ccc3c(c2C)O/C(=C\c2ccc(-c4ccccc4)cc2)C3=O)c1 1871455120 KYWRQQLNLWQGGQ-VEILYXNESA-N 432.519 7.166 30 10 IKEE C=CCN([C@@H](C(=O)Nc1cccc(C(C)(C)C)c1)c1ccccc1)S(=O)(=O)CCCC 1872228652 JYDYDJZYAUVEEK-HSZRJFAPSA-N 442.625 5.282 30 10 IKEE Cc1cc(-c2csc([C@@H](C#N)C(=O)CCCCCNC(=O)c3ccccc3)n2)ccc1F 1872773111 WMOYFXSFGMZLKX-FQEVSTJZSA-N 449.551 5.424 30 10 IKEE CCc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 1872773686 VAMMFFAHSCQQKP-HXUWFJFHSA-N 448.544 5.179 30 10 IKEE COc1c(Cl)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)c2ccc(Cl)nc2)n1 1872778286 IACPVVNRQYLMAW-LBPRGKRZSA-N 438.723 5.664 30 10 IKEE C=CCNC1=C(c2ccc(-c3ccccc3)cc2)C(=O)N(CCc2ccc(Cl)cc2)C1=O 1873086076 UPWPBSZRRWGQDW-UHFFFAOYSA-N 442.946 5.105 30 10 IKEE CCCCCCCCN1C(=O)C(NCCC2=CCCCC2)=C(c2cc(F)cc(F)c2)C1=O 1873111258 TWHGUWDCAIAYBC-UHFFFAOYSA-N 444.566 5.885 30 10 IKEE CCCCCCCCN=c1nc2c(cnn2-c2ccccc2)c(Nc2ccccc2C)[nH]1 1873477957 DGBJRYHGMQVYKU-UHFFFAOYSA-N 428.584 6.062 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(CC)cc2)cc2c(NCc3ccc(C)cc3)ncnc21 1873641597 BZLKZLARMZBOQZ-UHFFFAOYSA-N 425.536 5.353 30 10 IKEE C=CCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc(N(C)C)cc1 1874232970 WNOAGUATJKZUAP-ZXVVBBHZSA-N 441.604 5.443 30 10 IKEE Fc1ccc(F)c(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2)c1 1874260491 CSUJJWORYYENAW-VULFUBBASA-N 436.487 5.310 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1cccc2ccccc12 1874264921 RCHCQFNEKGSJMX-MFKUBSTISA-N 436.968 6.048 30 10 IKEE CCCSc1nnc(COc2ccccc2Cl)n1/N=C/c1c(F)cccc1Cl 1874269456 XCFPSILINHIAPW-FOKLQQMPSA-N 439.343 5.687 30 10 IKEE C=CCSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1ccccc1OC(C)C 1874327790 HADONKTVZKPRLW-MFKUBSTISA-N 436.581 5.421 30 10 IKEE C=C(C)CSc1nnc(CCOc2ccccc2)n1/N=C/c1c(F)cccc1Cl 1874346477 QSZVQTOSXBKDFP-ZMOGYAJESA-N 430.936 5.243 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2ccc(O)c(O)c2)cc1C 1874358527 MIDPYFXORMFXIB-CVKSISIWSA-N 444.560 5.071 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccccc3)n2/N=C/c2ccccc2Cl)cc1 1874383036 VDCSETZSUWQTAW-CVKSISIWSA-N 448.979 5.993 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2[C@H](C)c2ccccc2)c1 1874394542 OXQBSZQVQSWZEO-BWJYWGHISA-N 430.552 6.052 30 10 IKEE Oc1cccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2cccc(Cl)c2)c1 1874409713 JUTIHFWGODMJIA-MFKUBSTISA-N 441.000 5.934 30 10 IKEE COc1cccc(/C=N/n2c(Cc3cccs3)nnc2SCc2cc(C)ccc2C)c1 1874412596 QWXUUMKNTKSRSX-MFKUBSTISA-N 448.617 5.730 30 10 IKEE Cc1ccccc1CSc1nnc(C(F)(F)F)n1/N=C/c1ccc(Cl)cc1Cl 1874458250 DCARBXFXXISQAS-PGGKNCGUSA-N 445.297 6.087 30 10 IKEE CC(C)Cc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(Cl)cc1 1874491057 XFTFHTZWAFNZJQ-CVKSISIWSA-N 434.996 6.458 30 10 IKEE Cc1ccc(CSc2nnc(C3CCC3)n2/N=C/c2ccc(Br)cc2)cc1 1874493636 WVVTYCOKEMYWFK-YDZHTSKRSA-N 441.398 5.791 30 10 IKEE CC(C)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874512349 SSAPKMWYIBPAKM-BHGWPJFGSA-N 449.458 5.503 30 10 IKEE CCc1ccccc1NC(=O)COc1ccccc1/C=C/C(=O)c1ccc(OC)c(OC)c1 1874571757 FBLTVVSNQLLBIM-FYWRMAATSA-N 445.515 5.180 30 10 IKEE O=C(/C=C/c1cc(Br)ccc1OCc1ccccc1)c1ccccc1Cl 1874574836 IHFBFBUWIDOMQO-ZRDIBKRKSA-N 427.725 6.578 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(C)cc2)c1OCc1cccc(Cl)c1 1874579404 LPKRGOOHOWQIGL-ZHACJKMWSA-N 427.327 6.786 30 10 IKEE C=C(C)COc1ccc(Br)cc1/C=C/C(=O)c1cc(C(C)(C)C)ccc1C 1874589729 ACUHZZDGHBDDMV-DHZHZOJOSA-N 427.382 6.906 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1)c1ccc([N+](=O)[O-])cc1 1874594335 DQCWVDHLJRXVER-VZUCSPMQSA-N 428.271 6.377 30 10 IKEE CCOc1c(OC)ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)c1Br 1874597783 DQOSWZYCZUVCAY-DHZHZOJOSA-N 447.369 6.059 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1OCc1cc(C)ccc1C 1874599261 DCRNXLPWVAAADT-ZRDIBKRKSA-N 428.572 7.021 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC)c(OCc3cccc(C)c3)c2)c1 1874599298 GDQZZQZRJASCGN-JLHYYAGUSA-N 446.543 6.276 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cccc(OCC(=O)Nc2ccccc2C)c1 1874600439 MMGBIIXHCNJOJG-VAWYXSNFSA-N 449.934 5.879 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)c2ccccc12 1874601131 VUAMCTAKMJTFTH-RVDMUPIBSA-N 439.467 6.232 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OCC(=O)NC1CCCCC1 1874608340 JDTJICQEDRTYGZ-WYMLVPIESA-N 441.955 5.463 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)ccc1OCc1ccc(F)cc1 1874622193 QRSXFCKJRAQJTJ-BJMVGYQFSA-N 434.463 5.471 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1Cl 1874624882 ARLWUCWZQITIGR-NTUHNPAUSA-N 437.898 5.955 30 10 IKEE C=C(C)COc1c(Cl)cc(/C=C/C(=O)c2cc(OCC)ccc2OCC)cc1OCC 1874630466 XXELLZMVXNVENA-PKNBQFBNSA-N 444.955 6.387 30 10 IKEE COc1ccccc1C(=O)Oc1cccc(/C=C/C(=O)c2cccc(Br)c2)c1 1874697547 CSPRHLNTXKCGQW-OUKQBFOZSA-N 437.289 5.573 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)c2)cc1 1874698172 ZMFBJBGQUGGRJR-KKUYCRAGSA-N 432.903 5.954 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCc3ccc(OC)cc3)c2)cc1 1874703371 MOGKHOXWONVZSW-RQZCQDPDSA-N 444.527 5.918 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)C(C)(C)C)c2)c1 1874713030 CKDKHGROERALQU-FMIVXFBMSA-N 426.509 5.340 30 10 IKEE COCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1OC 1875080810 UFFOIFXNRLQMIQ-NTEUORMPSA-N 446.499 5.209 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4ccccc4c3)cc2)CC1 1875094613 AMQOBRZTNVZKFQ-DEDYPNTBSA-N 440.583 7.638 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)cc2)c1 1875102406 GHSRZGYKOJSJFQ-OTJDAXFFSA-N 444.527 6.088 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(Cl)c1OC(=O)CCCSC 1875112744 IOGKDVLXNRVKTP-KPKJPENVSA-N 448.968 5.692 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc(Cl)c2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 1875116868 WROVPJWJQWGPAQ-ONNFQVAWSA-N 442.254 6.017 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3)c(Cl)c2)cc1 1875129806 UVEANDBMZGCLRN-OVCLIPMQSA-N 434.919 6.173 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(C)c(C)c3)c(Cl)c2)cc1 1875133037 AUDRDHBTZYZLSU-KPKJPENVSA-N 434.919 6.146 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)c1ccccn1 1875135101 ZHLLAZVKPNYAGS-PKNBQFBNSA-N 435.907 5.866 30 10 IKEE Cc1cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2)ccc1[N+](=O)[O-] 1875155999 FYXFFVAVXFICTA-GIDUJCDVSA-N 429.472 6.142 30 10 IKEE O=C(Cc1ccc(F)cc1F)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 1875158342 QLGIQPOUCOHSHG-XLUWADSXSA-N 441.361 5.056 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc(OC)c1OC(=O)CC 1875160614 VDCPFQWFQQGCHE-ACCUITESSA-N 436.548 5.941 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2sccc2C)cc1 1875167880 MZSVNCRRUGSTQS-VMPITWQZSA-N 447.339 6.487 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc(OC)c1OC(=O)CC(C)(C)C 1875169785 SBGUZGCWQUWCAO-MDZDMXLPSA-N 440.536 5.567 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)c1ccccc1C 1875175306 JAOBSUYONYBFFK-ACCUITESSA-N 430.500 5.744 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)CC1CCCCC1 1875176355 DRHXXRNVAOBYHT-FYWRMAATSA-N 446.587 6.812 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1OC 1875184511 DRSYEXANWZPSNX-ZRDIBKRKSA-N 428.956 6.556 30 10 IKEE CC(C)(C)C#CC[C@@H](N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875646815 PZHQODMUJYCEBL-NAKRPHOHSA-N 443.587 5.645 30 10 IKEE C#Cc1c(C)c(C(=O)O)c(C)c(N(C)C(=O)OCC2c3ccccc3-c3ccccc32)c1C 1887514578 WFZZIOMEIAHLCU-UHFFFAOYSA-N 439.511 5.677 30 10 IKEE CC[C@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1938153996 ADDZCAULJGXZMM-QAPCUYQASA-N 437.968 5.525 30 10 IKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 1949562428 ZAMWEYZTYFKBEB-KOSHJBKYSA-N 435.609 5.628 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C1 1993189062 LREWQKORWQSDOK-CRAIPNDOSA-N 435.952 5.231 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@](C#N)(N(C(=O)OC(C)(C)C)C3CCC3)C[C@H]21 2001959255 YPKWLXCPHNMWHD-YJLYGGOZSA-N 433.593 5.238 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H]1CCC[C@H]2[C@H]1CCN2C(=O)OC(C)(C)C 2005267133 IGDLHWRRFXQWCG-KIHHCIJBSA-N 428.617 5.163 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1(C)C 2013405072 GDXDAWJKVWYNBF-SBUREZEXSA-N 433.524 5.153 30 10 IKEE C=CCCCCCCCC[C@H](NC)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2026309605 GVILAKLBVKTPMZ-BJKOFHAPSA-N 432.649 5.991 30 10 IKEE Cc1ccc(-c2cc(C=Cc3ccc(C(=O)O)cc3)c(C#N)c3nc4ccccc4n23)cc1 2040461548 VRNYNZRSBLEKAQ-UHFFFAOYSA-N 429.479 6.203 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)C1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2042149671 PMJVPPKCAQBQCT-IAGOWNOFSA-N 447.551 5.352 30 10 IKEE C=CCN(C[C@H](NCC)c1c(Cl)ccc(Br)c1F)C(=O)OC(C)(C)C 2058345654 KPMRGXYXTSSGQK-AWEZNQCLSA-N 435.765 5.315 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C12CC2 2070832537 MXKDIJDQMMBETR-VWLOTQADSA-N 447.620 5.772 30 10 IKEE CC(C)c1ccc([C@H](C2CC2)n2nc(C(C)C)c(C#N)c2I)cc1 2079926694 GKBAKPUGRYVWPE-LJQANCHMSA-N 433.337 5.606 30 10 IKEE CC(C)c1ccc([C@@H](n2nc(C(F)(F)F)c(C=NO)c2Br)C2(C)CC2)cc1 2079986907 VGBQPXLOQLXJFT-MRXNPFEDSA-N 444.295 5.985 30 10 IKEE C[C@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C2CC2)c(C#N)c1I 2079999575 XHUMQERMALUKGI-MRVPVSSYSA-N 449.189 5.004 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)C1(C#N)C[C@@H]2CCC[C@H](C1)S2 2129832103 PLRURYRCMZCWGK-DBIVSCPCSA-N 437.403 5.901 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCOC12CCCCC2 2143843854 DZOQWEUDGXUVFF-FQEVSTJZSA-N 435.362 5.576 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H](Nc2ccc(Br)cc2C#N)CC12CCCCC2 2155308326 XLXKWJJTJLUJOK-KRWDZBQOSA-N 434.378 5.445 30 10 IKEE C=CCN(CC[C@@H](Cc1ccc(F)c(Br)c1)NCCC)C(=O)OC(C)(C)C 2155517776 YEKDANVUYMPZTQ-KRWDZBQOSA-N 443.401 5.312 30 10 IKEE CC(C)(C)OC(=O)NCCc1ccc(CNc2ccc(Br)cc2C#N)cc1 2162417773 IRIQUXXWCOZNKP-UHFFFAOYSA-N 430.346 5.000 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1ccc(-c2ccccc2Br)s1 2164108675 WQHQGUTZESYKFD-QHCPKHFHSA-N 442.422 6.601 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1cnc(C(C)(C)C)[nH]1 2169530655 BEPZYHHPBPTAMY-INIZCTEOSA-N 433.350 5.476 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](CNc2ccc(C#N)c(Br)c2F)CC12CCC2 2173317923 QLKGSPPIHWIQID-ZDUSSCGKSA-N 438.341 5.051 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)Nc2ccc(F)c(C#N)c2)c1 2181044374 HIYSHZBWKDQNHA-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE C[C@@H]1Cc2ccccc2[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2185486664 RBLICZYRCMUIMY-QRQCRPRQSA-N 427.342 5.802 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCCC)c2c(F)cc(C)cc2Br)C1 2197747495 DVKZVXIHQBRMML-SFHVURJKSA-N 441.385 5.551 30 10 IKEE C=CCC[C@H](NCC)c1sc(Br)c(Br)c1Br 2212189975 QXHLIPOVEKVZIJ-ZETCQYMHSA-N 432.019 5.652 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1Cc2ccc(Nc3cccc(Br)c3C#N)cc2C1 2234127628 XVVKDXYXWYTQOG-MRXNPFEDSA-N 428.330 5.056 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@]1(NC(=O)OC(C)(C)C)C[C@@H]2CCCC[C@H]21 2250725937 KLERPAVUECNLHS-LNEBKTTKSA-N 428.617 5.211 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)c(Br)cc1Cl 2252868540 DGKNPSGEKKEUSX-LBPRGKRZSA-N 438.149 5.164 30 10 IKEE CC(C)[C@@H](C)N(Cc1ccccc1)C(=O)c1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2255822193 KMELYLAYFWFANJ-GOSISDBHSA-N 441.808 5.326 30 10 IKEE CC(C)(C)OC(=O)NCc1ccc(Cl)cc1Nc1c(Br)cccc1C#N 2269738614 QYMXNGFTCVCXCH-UHFFFAOYSA-N 436.737 5.742 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)[C@H]1CCCN(Cc2ccccc2)C1 2285325731 ABYSWLQJIJYLBK-LADGPHEKSA-N 425.414 5.081 30 10 IKEE CCOc1ccc([C@H]2C(=C(O)c3ccc(C)cc3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc1 2296079675 UJMDAPKVKFTMSA-NRFANRHFSA-N 448.544 5.093 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)c1cscc1OCc1ccccc1 2296271599 GLDGHNJXRQTDPR-JOCHJYFZSA-N 440.406 6.182 30 10 IKEE CCN[C@@H](C#Cc1cccc(Br)c1)CC(C)(C)[C@H](C)NC(=O)OC(C)(C)C 2296274254 SVVJBFWSYYACCA-LPHOPBHVSA-N 437.422 5.108 30 10 IKEE COc1ccc(C=C2SC(=Nc3ccc(OC)cc3)N(c3ccc(OC)cc3)C2=O)cc1 2296879942 MEVSHNUCCHKUCQ-UHFFFAOYSA-N 446.528 5.521 30 10 IKEE CCCCN1C(=O)C(=O)C(=C(O)c2ccc(Cl)cc2)[C@H]1c1ccc(Br)cc1 2296932626 DNSKRIVHMVOPGI-GOSISDBHSA-N 448.744 5.324 30 10 IKEE O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc(F)cc1 2314477571 JFWBNPFXPIDHSA-VWLOTQADSA-N 427.475 5.046 30 10 IKEE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2Oc3ccc(Cl)cc3C2=O)cc1 2314519160 BJUYLAIBLUKWJG-UHFFFAOYSA-N 442.902 6.208 30 10 IKEE CC(C)[C@H]1C[C@@H](Nc2ccc(Br)cc2C#N)CN1C(=O)OCc1ccccc1 2321514238 IVYKVXAHOOSBDQ-TZIWHRDSSA-N 442.357 5.168 30 10 IKEE Cc1c(OCc2ccccc2Cl)ccc2c1OC(=Cc1c(F)cccc1Cl)C2=O 2321762172 WHDRALMWAJYBMG-UHFFFAOYSA-N 429.274 6.636 30 10 IKEE Cc1c(OCc2ccc(Cl)c(Cl)c2)ccc2c1OC(=Cc1ccc(F)cc1)C2=O 2321787423 AJSGUJWNLCXNFT-UHFFFAOYSA-N 429.274 6.636 30 10 IKEE CCCCCCCCCOc1ccc(C=Nn2c(S)nnc2C2CCC2)cc1OCC 2321901519 BRIARIXLSNCQOE-UHFFFAOYSA-N 444.645 6.245 30 10 IKEE Sc1nnc([C@@H]2CCCO2)n1N=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1 2321934978 AWESOIJGUWGKIL-SFHVURJKSA-N 449.363 5.186 30 10 IKEE COc1ccc(CN2COc3ccc4c(c3C2)OC(=Cc2cccc(Cl)c2)C4=O)cc1 2321946967 DZMASHNWUMPBQJ-UHFFFAOYSA-N 433.891 5.317 30 10 IKEE CCOc1ccc(C=Nn2c(S)nnc2CC23CC4CC(CC(C4)C2)C3)cc1OCC 2322183781 QWWDFLFTQVWNMU-UHFFFAOYSA-N 440.613 5.005 30 10 IKEE CCc1ccc(C=C2Oc3c(cc4c(c3C)OCN(CCCCN3CCCC3)C4)C2=O)cc1 2322381433 XBQGWAMJTLHSGK-UHFFFAOYSA-N 446.591 5.202 30 10 IKEE CCOc1ccc(C=C2Oc3c(cc4c(c3C)OCN([C@@H]3CCCC[C@@H]3C)C4)C2=O)cc1 2322391727 AIIPKHKDYSTFDI-GAJHUEQPSA-N 433.548 5.741 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCCc2ccccc2)cc1 2322557066 JKPJRELBBBNSTR-UHFFFAOYSA-N 436.935 6.265 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(F)c(F)c2)c1OCc1ccc([N+](=O)[O-])cc1 2322785066 LPYBXEBMGVXKIN-UHFFFAOYSA-N 425.387 5.357 30 10 IKEE Cc1cccc(COc2ccc(Cl)cc2C=CC(=O)c2cc(Cl)ccc2Cl)c1 2323002998 MQOIRFPYZFOFMU-UHFFFAOYSA-N 431.746 7.430 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2c(Cl)cccc2Cl)C3=O)cc1C 2323247348 OKDKMGSCSPIEDU-UHFFFAOYSA-N 439.294 6.446 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)Cc4ccc(Cl)c(Cl)c4)cc(C)c3C2=O)o1 2323421374 BSCHWDDKBHZBGA-UHFFFAOYSA-N 443.282 5.968 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1cccnc1)C2=O)C(Br)=Cc1ccccc1 2323444311 DEVULPFYJLOFNR-UHFFFAOYSA-N 448.272 5.039 30 10 IKEE CCCCCCCCCOc1ccc(C=Nn2cnnc2S)cc1Br 2323460371 AJOSXYIJEZWKHU-UHFFFAOYSA-N 425.396 5.341 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Cl)c(OCc3cccc(C)c3)c(OC)c2)cc1 2323536186 UZJMROOTUQUVOK-UHFFFAOYSA-N 448.990 7.475 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCC(=O)NC3CCCCC3)c(OC)c2)cc1 2323557261 RKSQWLUAZKIIDF-UHFFFAOYSA-N 449.591 5.762 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(F)cc2)c(Cl)c1)c1ccc(Br)cc1 2323582760 QGVWKFMDUGPPLA-UHFFFAOYSA-N 445.715 6.717 30 10 IKEE CCc1ccc(C=C2Oc3c(CN4CCc5ccccc5C4)c(O)cc(C)c3C2=O)cc1 2324115691 OKXNJUOIRDBLQA-UHFFFAOYSA-N 425.528 5.438 30 10 IKEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2OC)o1 2324173591 XLRNZDZVPZKHBN-UHFFFAOYSA-N 434.488 5.673 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1 2324381023 YHFBYJGXHGZJDW-FQEVSTJZSA-N 439.511 5.882 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)ccc1OCc1ccccc1C 2324672636 HCNBOBFUWYHKPJ-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCc3cccc4ccccc34)cc(C)c2C1=O 2325279358 ABTHCLVIPCPRJI-UHFFFAOYSA-N 436.507 6.742 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C(C)(C)C)cc4)ccc3C2=O)c1 2325552644 NWAGJKXMQAMUPU-UHFFFAOYSA-N 441.527 5.926 30 10 IKEE CCCc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3cccc(OC)c3)c2)cc1 2325707573 VCVKRXQMGDERSB-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3sccc3C)c2)cc1 2325710293 OUSMJZBLLNYPKG-UHFFFAOYSA-N 434.557 6.523 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC(=O)CC(C)C)c(OC)cc2Br)cc1 2325718738 KOSFKWZYAZMSEA-UHFFFAOYSA-N 447.325 5.314 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(Cl)cc2)c1)c1cccc(Br)c1 2325720571 QUJUIMZVYIZLOQ-UHFFFAOYSA-N 441.708 6.218 30 10 IKEE CCc1ccccc1OCC(=O)Oc1cccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)c1 2325722408 JSJIJWWCMXPBSB-UHFFFAOYSA-N 431.444 5.038 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccc(OC)cc3)c2)cc1 2325733424 NAVAKSXWINYTFI-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2sccc2C)C3=O)c1 2325741166 UOHLEBLMQZMJJZ-UHFFFAOYSA-N 433.529 5.615 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(F)cc3F)c2)c1 2325744217 BOCYZBSOUKDDJA-UHFFFAOYSA-N 438.426 5.026 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccccc1F 2326083893 HNKWHHBYXNLCMS-UHFFFAOYSA-N 430.936 5.243 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1cccc(Br)c1 2326417952 ZWFNLEGYHXSOHO-UHFFFAOYSA-N 443.414 5.784 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1cccc(OCC)c1OC 2326683362 GRWASTXKJBXLBA-UHFFFAOYSA-N 449.580 5.074 30 10 IKEE CCCOc1ccccc1C=Nn1c(CCCOc2ccc(C)cc2)nnc1SCC 2327174795 VJVCMXGVZVHMRH-UHFFFAOYSA-N 438.597 5.381 30 10 IKEE C=C(C)CSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(N(C)C)cc1 2327749707 OKPIRUOHOCUVCW-UHFFFAOYSA-N 441.604 5.639 30 10 IKEE C=C(C)CSc1nnc(CCOc2ccccc2)n1N=Cc1ccc(Cl)cc1Cl 2329189983 LUSONYXWIMPOKT-UHFFFAOYSA-N 447.391 5.757 30 10 IKEE COc1cc(C=NNC(=S)NC(C)(C)CC(C)(C)C)ccc1OCc1ccccc1 2330454137 YXDNVMNPJZMJOT-UHFFFAOYSA-N 427.614 5.287 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)CCCC4)cc2)cc1 2330678642 ISROUAGFDXIZAB-UHFFFAOYSA-N 440.539 6.008 30 10 IKEE O=C(CCOc1ccccc1)Oc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1 2330679569 HCIJDPVLMJLYBU-UHFFFAOYSA-N 426.512 5.836 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(OC)cc3OC)cc2)cc1 2330738746 UPPROEOGWKQPJI-UHFFFAOYSA-N 430.500 5.310 30 10 IKEE CCOc1cc(C=Nn2c(CC(C)(C)C)nnc2SCc2cccc(F)c2)ccc1O 2330824558 LSJYIVSINBWVSQ-UHFFFAOYSA-N 442.560 5.285 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2cccs2)c(C)c1 2331109012 FENQROLYPLHHRR-UHFFFAOYSA-N 439.610 5.227 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)c(Cl)c1)c1cccc(Cl)c1 2331123325 IBJGLAOBTFJTKW-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(-n4cccc4)cc3)c(Cl)c2)cc1 2331266030 MQFCJGYRRPGZOT-UHFFFAOYSA-N 441.914 6.554 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1ccccc1Cl 2331376665 FGFDGYHLCUWIRB-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SCC(=O)OCCC)nnc2C(C)(C)C)cc1 2331416733 NKIJYVXIMODCAD-UHFFFAOYSA-N 446.617 5.072 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc(OC)c1OC(=O)C1CCC1 2331670070 OUMVJNZDRNRUDM-UHFFFAOYSA-N 434.532 5.651 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1Cl)c1ccccn1 2331860198 WQZHXYWFXTZRDS-UHFFFAOYSA-N 432.690 6.157 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cc(OC)c(OC(=O)C2CCCC2)c(OC)c1 2331876750 XPSPBLTZUJKJEW-UHFFFAOYSA-N 444.911 5.358 30 10 IKEE CC1(C)OB(/C=C/c2ccc(Nc3cccc(Cl)c3Br)nc2)OC1(C)C 2365063448 ZWDXDUAOMWYVOC-ZHACJKMWSA-N 435.558 5.886 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CCC(=O)C#Cc2ccccc2Br)C1(C)C 2370407841 RMQBAMOWHQJJFJ-APWZRJJASA-N 434.374 5.089 30 10 IKEE CC12CC3(C)CC(C)(C1)CC(C(=O)/N=C1/N=C4C=CC(Cl)=CN4Cc4ccccc41)(C2)C3 12490784 KMHOPZNJRPOSGI-JBASAIQMSA-N 448.010 6.211 30 10 IKEE Oc1ccccc1/C=N/c1cccc(C2=NN(c3ccccc3)[C@H](c3ccc(F)cc3)C2)c1 15773321 DQBDWLSXWADENF-UVKUDMKVSA-N 435.502 6.638 30 10 IKEE COc1ccc(OC)c([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3c2c(C)nn3-c2ccccc2)c1 15830284 JBVMGXHEZSZBEG-DEOSSOPVSA-N 443.547 5.399 30 10 IKEE CCc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc3ccccc3c2)cc1 21225409 CQHWTNFZTRDXJC-FKAPRUDGSA-N 444.578 7.382 30 10 IKEE CCc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(OC)c2OC(C)C)cc1 21235916 FUBYPZMTKFZBPO-TZIWHRDSSA-N 433.548 5.049 30 10 IKEE CCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccc(F)cc1)C2 21257104 GZJUYJHSTCCDPE-XRHLQHRESA-N 428.507 6.204 30 10 IKEE CCc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(OC)c(O)c2)cc1 21260156 BMMPYNLHDQZNJR-NGOKVRLYSA-N 440.543 5.943 30 10 IKEE CCOc1ccc([C@@H]2C3=C(C[C@H](c4ccc(Cl)cc4)CC3=O)Nc3onc(C)c32)cc1 28052168 AHLJQHUISPHXIK-SBUREZEXSA-N 434.923 5.993 30 10 IKEE Cc1cc2cc3c(nc2cc1C)S/C(=N\CC(C)C)N(Cc1ccc2c(c1)OCO2)C3 33360753 UJKPTCAGMCPBON-QPLCGJKRSA-N 433.577 5.700 30 10 IKEE C=CCc1ccccc1OCCCn1c(CCCNC(=O)C(C)(C)C)nc2ccccc21 40204788 PBLVUFLOZOWLPW-UHFFFAOYSA-N 433.596 5.329 30 10 IKEE O=C1/C(=C/c2ccc(-c3ccccc3)cc2)Oc2c1ccc1c2CN(C[C@H]2CCCO2)CO1 41660926 YWDQQZIMRXRHPZ-XLBQOGMNSA-N 439.511 5.301 30 10 IKEE CCCn1c2ccccc2c2nnc(N/N=C/c3ccc(OCc4ccccc4)cc3)nc21 64981252 HVZKTHDKOKZIOH-WPWMEQJKSA-N 436.519 5.415 30 10 IKEE Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 97554162 GMYOCCGSBVKAIX-SGWGQVFISA-N 425.319 5.190 30 10 IKEE CCCCCCCCOc1ccc(/C=N/N=C(\C(=O)c2ccccc2)c2ccccc2)cc1 97980752 BQHOXFYKSAMEHS-ACOHXMTBSA-N 440.587 7.132 30 10 IKEE CN1C(=O)C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)S/C1=N\c1cccc(Cl)c1 100263167 HYSJYZDKYVRAEN-VKWHMPGMSA-N 442.755 5.237 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(C)c2C)c1 169933957 KGLIYULWYMBKFU-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3ccc(C)cc3C)cs2)cc([N+](=O)[O-])c1OC 169943289 UFXZSYGQHQGVLD-JJFYIABZSA-N 426.498 5.188 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccc(O)cc2)cc1 169963371 JDHOFXGYQXCMDW-VWLOTQADSA-N 446.462 5.200 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2cccc(C)c2)cc1 169968673 BRHASORRBOZJED-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2cccs2)c(C)c1 169987685 GKLFXXDHJKMUCF-FQEVSTJZSA-N 441.455 5.126 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2C2CCCCC2)c1 170145513 KVYCKZGKZQAZOS-XDHUDOTRSA-N 431.532 5.229 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCCC)[C@@H]2c2cccnc2)cc1 170196060 BGFNHCAGLOUUPH-HSZRJFAPSA-N 436.552 5.419 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccncc2)c1 170205401 NEEKCEPVCTXGKU-XMMPIXPASA-N 442.515 5.270 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccncc1 170208161 QMERIBMSGSWZIK-QFIPXVFZSA-N 430.504 5.059 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccccc2)c(OC)c1 170225790 UMICMBZOQSEHGJ-XMMPIXPASA-N 443.499 5.104 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(Cl)cc1)c1c[nH]c2ccccc12 170235064 IRNQRZGVCNXULC-QFIPXVFZSA-N 428.875 5.604 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(F)cc2)cc1C 170240022 ROELYNRDXJEUKE-DEOSSOPVSA-N 445.490 5.542 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1sccc1C 170319567 ZZVYDBVUQPPZHK-IBGZPJMESA-N 425.550 5.203 30 10 IKEE CC(C)Oc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 170348767 BNDBWNXNZINDAX-QFIPXVFZSA-N 444.512 5.190 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(Cl)cc2)cc1 170361424 LQHUAOIBPBAVLF-FQEVSTJZSA-N 439.920 5.583 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cccc(NC(C)=O)c2)cc1 170393617 VZGPVCZWTJQUDL-JOCHJYFZSA-N 446.528 5.052 30 10 IKEE Cn1c2ccccc2c2nnc(NN=Cc3ccc(-c4cccc(C(F)(F)F)c4)o3)nc21 252642971 ZSECZMAIFWIEJE-UHFFFAOYSA-N 436.397 5.241 30 10 IKEE CCCN1C(=O)/C(=C/c2cccc(Cl)c2Cl)SC1=Nc1cccc2ccccc12 254349773 MPRHKGIDUIXRRP-QNPCYTEQSA-N 441.383 7.161 30 10 IKEE O=C(CSc1ccc(N=Cc2cccnc2Cl)cc1)Nc1ccc2ccccc2c1 254506848 IZWOPSPHGBZDPA-UHFFFAOYSA-N 431.948 6.370 30 10 IKEE COc1ccc(C=Nc2sc3c(c2C(=O)Nc2ccc(OC)cc2OC)CCC3)cc1 254855769 WIBCONRPMIDGLS-UHFFFAOYSA-N 436.533 5.266 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccccc2OC)c1 526603913 IPTVDMDLCWEACO-RUZDIDTESA-N 440.499 5.413 30 10 IKEE N#Cc1ccc(NC2=C(Sc3ccccc3)C(=O)N(c3ccc(F)c(Cl)c3)C2=O)cc1 526656932 CJICZRRTGXGRDA-UHFFFAOYSA-N 449.894 5.340 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1cc(Cl)c(OC)c(Cl)c1 526808689 ZXMDNTNPFFQVKL-MSXFZWOLSA-N 449.407 6.029 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1cccc(OC)c1OC 526819060 NHXXTSWEDLSLRN-MYYYXRDXSA-N 438.597 5.429 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CC[C@H](C)N(C(=O)OC(C)(C)C)C1 698375813 VFOBUQLFWUQNFF-BXKMTCNYSA-N 445.560 5.118 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCCC12CCOCC2 698459270 WIIJBDYCWXOPCK-OAQYLSRUSA-N 435.362 5.434 30 10 IKEE CC(C)(C)OC(=O)N(C1CC1)[C@H](C#N)c1ccc(Br)c(Br)c1 698849047 DUWFPJVKJZYNGD-CQSZACIVSA-N 430.140 5.176 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@](C)(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 698900728 MTVBQWHKWYISNS-VGSWGCGISA-N 435.590 5.167 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCN(C(=O)OCc3ccccc3)C2)c1 720805686 MBKMIQNBUQTTKT-AREMUKBSSA-N 449.551 5.432 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C1 724081713 SAIDNRVRGUBNSI-HOYKHHGWSA-N 429.561 5.405 30 10 IKEE C=CCOc1c(Br)cc(/C=C/C(=O)c2ccc3nc(O)oc3c2)cc1OCC 794712985 BMHDFRBMFKGYMW-VMPITWQZSA-N 444.281 5.156 30 10 IKEE CC(C)(C)C1CCC(OC(=O)CO/N=C(/c2ccc(Br)cc2)C2CC2)CC1 821233457 HEWWTGVGFKKJSG-DARPEHSRSA-N 436.390 5.728 30 10 IKEE Cc1ccc(-c2nc(NN=Cc3c(Cl)cccc3Cl)sc2-c2ccccc2)cc1 1084017546 WCINHDQMSOPNQX-UHFFFAOYSA-N 438.383 7.538 30 10 IKEE COc1cc(C=Nc2sc3c(c2C(=O)Nc2ccccc2)CCCC3)ccc1OC(C)=O 1084274695 CFJBSYQIBCKZAK-UHFFFAOYSA-N 448.544 5.564 30 10 IKEE O=C(Nc1ccccc1)c1c(N=Cc2ccc(Br)o2)sc2c1CCCC2 1084425815 TWJAHMHVXXYYJA-UHFFFAOYSA-N 429.339 5.985 30 10 IKEE O=[N+]([O-])c1cc(N=Cc2ccc3ccccc3c2)ccc1N=Cc1ccc2ccccc2c1 1084487280 KQFVFXUFXIHRLK-UHFFFAOYSA-N 429.479 7.402 30 10 IKEE CSc1ccccc1N/C(=N/Cc1ccc(C(F)(F)F)cc1)N[C@H]1CCCC[C@@H]1N 1088653156 WEAGVNQXJBYMBU-ROUUACIJSA-N 436.547 5.255 30 10 IKEE CCc1ccc(C(=O)N2c3ccc(F)cc3[C@@](C#N)(Nc3ccc(F)cc3)C[C@H]2C)cc1 1615950570 SDZZHJVCVGORLR-WGDIFIGCSA-N 431.486 5.797 30 10 IKEE CCc1ccc(NC(=O)[C@@]23CC[C@@](C)(C(=NOC(=O)c4ccc(C)cc4)C2)C3(C)C)cc1 1772722871 ZLCZDUHPTFAKLQ-RRPNLBNLSA-N 432.564 5.925 30 10 IKEE CCCCCCCCNC(=O)C(C)(C)NC(=O)CCCOc1ccc(C(C)(C)C)cc1 1861688469 ITTBHVPUPOLJHS-UHFFFAOYSA-N 432.649 5.515 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(CC)CC)[C@H]2c2ccccc2)cc1 1862387023 AZPAYLVYCSFDCR-VWLOTQADSA-N 448.607 5.339 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(F)cc1 1862413403 BPOVGFCHAKGBGL-WHIIXXIBSA-N 429.438 5.261 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@@H]1c1cccc(O)c1)c1ccccc1Cl 1862430414 JXEBIYREUMKBAQ-JOCHJYFZSA-N 437.923 5.514 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccccc1Cl 1862436039 KFZYCTIURDTSLR-OAQYLSRUSA-N 448.862 5.027 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc(OCc2ccccc2)c1 1862440518 MLVNJOGKLBRYBV-QHCPKHFHSA-N 447.918 5.517 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccc(C)cc2)cc1 1862442414 RZHONFVZBSKCHE-DEOSSOPVSA-N 445.946 5.778 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc(OCc2ccccc2)c1 1862483936 JODGUBYYAKMKTL-RUZDIDTESA-N 441.527 5.562 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCc2cccs2)cc1 1862507762 SWYRBIAXCHXQPE-JOCHJYFZSA-N 435.520 5.325 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(F)cc1 1862529170 CBNZRCQXDLPPPY-QHCPKHFHSA-N 439.527 5.173 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862595374 APQDFRWMWBNILC-DEOSSOPVSA-N 447.531 5.260 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1c(Cl)cccc1Cl)c1cccc(O)c1 1862597099 IUMOACSMUNGPKP-LJQANCHMSA-N 432.303 5.220 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccccc1 1862615283 KQFWBQQWSFNMTK-OUOWLKGYSA-N 431.576 6.141 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(O)c(O)c1)c1cccc2ccccc12 1862654074 UUVXPXSNWATBTD-DEOSSOPVSA-N 443.499 5.162 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(C(C)C)cc2)=C(O)C(=O)N1CCCOC(C)C 1862660746 QJOVFQUIUTUKOA-DEOSSOPVSA-N 435.564 5.512 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(C(C)C)cc1 1862664603 MUGYOWYCYCUIAM-VWLOTQADSA-N 433.592 6.702 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)cc1 1862677089 YVKKLMFTAZMWIA-XORNHQRDSA-N 437.511 5.381 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(O)cc1 1862724827 VBXWLCMLDUAYKH-XMMPIXPASA-N 427.500 5.294 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 1862727302 AJVYWKCGKBHZCZ-HSZRJFAPSA-N 440.455 5.026 30 10 IKEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2ccccc2)cc1 1862730999 KBIDKHXWPWWBRO-CPJSRVTESA-N 449.591 6.413 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862736983 QPHYXQAXBRKLFL-UZUQRXQVSA-N 442.471 5.243 30 10 IKEE COc1ccccc1C1=C(Nc2cccc3ccccc23)C(=O)N(c2ccccc2C#N)C1=O 1863065476 PWRDNYVZGIRYII-UHFFFAOYSA-N 445.478 5.117 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(F)cc2)C1=O 1863151426 CVQFLUNLVZQTSY-UHFFFAOYSA-N 447.554 6.030 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(C)c(C)c3)C2=O)cc1 1863254346 XSGCIOBPWKAJFX-FQEVSTJZSA-N 449.554 5.691 30 10 IKEE CCCCCCCCNC1=C(c2cc(Cl)ccc2Cl)C(=O)N(CCC(C)C)C1=O 1863732058 KPDUINYXCAUBFB-UHFFFAOYSA-N 439.427 6.070 30 10 IKEE CCCC[C@H](NC(=O)C[C@@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866737712 CMYUSNDMUBUJFG-FTJBHMTQSA-N 447.623 6.125 30 10 IKEE C=CCN(CC=C)c1cc(N(Cc2ccccc2)Cc2ccccc2)nc(-c2cccnc2)n1 1868003420 JZPYLVHWKXWRNL-UHFFFAOYSA-N 447.586 5.924 30 10 IKEE CC(C)(C)c1ccc(-n2nnc(C#N)c2NC(=O)C(c2ccccc2)c2ccccc2)cc1 1870139557 XFQGURIKUPCFNY-UHFFFAOYSA-N 435.531 5.207 30 10 IKEE CCCCCCCCn1cc(OCc2cccc(Cl)c2)c(=O)cc1CN(CC)CC 1870408527 FZEHVDLBAVMPMK-UHFFFAOYSA-N 433.036 6.283 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(O)cc2)c(CN(CC)CCCC)cc1=O 1870416739 MURRNQQGYMDKIK-UHFFFAOYSA-N 428.617 5.573 30 10 IKEE C=CCOc1cn(Cc2ccccc2F)c(CNc2ccc(N(CC)CC)cc2C)cc1=O 1870813451 LUQFBBYSPMAVQC-UHFFFAOYSA-N 449.570 5.367 30 10 IKEE CCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(C(C)(C)C)cc1 1871251536 KAKYVJPJXMNYSW-UHFFFAOYSA-N 429.564 5.619 30 10 IKEE CCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccncc2)C3=O)cc1 1871379378 FBRUKKGEQPBMCD-PDIQIHEYSA-N 427.456 5.024 30 10 IKEE Cc1c(OCCOc2ccc(Cl)cc2)ccc2c1O/C(=C\c1ccc(Cl)cc1)C2=O 1871412897 KHAVJJOTFICWIP-HMAPJEAMSA-N 441.310 6.376 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCc4cccc5ccccc45)ccc3C2=O)c(OC)c1 1871434280 LVDBXTLYIOGMTR-VYYCAZPPSA-N 438.479 6.052 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4c(C)cccc4C)cc(C)c3C2=O)c1 1871440579 WXKJKQGXHHENHZ-QRVIBDJDSA-N 427.500 5.554 30 10 IKEE COC(=O)c1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)cc1 1872778083 CTYMSZVODMZPSY-OEMHODTASA-N 446.528 5.112 30 10 IKEE COc1c(Cl)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)Cc2ccc(F)cc2)n1 1872778157 FMVXFTKKFUDJLH-HNNXBMFYSA-N 435.307 5.684 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@H](CC)CCCCC)=C(c2cccnc2)C1=O 1873078093 DLXKQJOHPUOIIW-HSZRJFAPSA-N 441.660 6.251 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc3nc[nH]c3c2)=C(c2cccc(OC)c2)C1=O 1873218193 AHVYRJGKARWNLL-UHFFFAOYSA-N 446.551 5.124 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc3ccccc23)=C(c2ccccc2C)C1=O 1873305721 RIKGKHUUEUJXFN-UHFFFAOYSA-N 440.587 6.701 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2Oc2ccccc2)=C(c2cc(F)cc(F)c2)C1=O 1873315825 KXOLOEHHGSUHRO-UHFFFAOYSA-N 432.426 5.135 30 10 IKEE CCCCCCCCCCNC(=O)c1cc2c(N3CCC(C)CC3)ncnc2n1CC 1873570762 HXVRDPQFMDUXPU-UHFFFAOYSA-N 427.637 5.558 30 10 IKEE C=CCn1c(C(=O)Nc2cc(Cl)ccc2C)cc2c(NCCc3ccccc3)ncnc21 1873607672 YAOMRXZVQISWSR-UHFFFAOYSA-N 445.954 5.486 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C(F)(F)F)c2)cc2c(N(CC)CCCC)ncnc21 1873654815 XESOUJBPVHBEPX-UHFFFAOYSA-N 445.489 5.515 30 10 IKEE CCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1cn(C)c2ccccc12 1874232330 TVSGIIPXMJLKCC-WPWMEQJKSA-N 439.588 5.702 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1ccc(Cl)cc1 1874258243 RFNWQAIXJMZTGR-AFUMVMLFSA-N 441.000 6.013 30 10 IKEE CCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc(Cl)cc1Cl 1874282942 HRRKSIYJBBOLEX-FSJBWODESA-N 439.799 6.018 30 10 IKEE CCCCC1CCC(c2nnc(SCc3cccc(C)c3)n2/N=C/c2ccc[nH]2)CC1 1874285573 NCDTWKCDLREFDZ-WPWMEQJKSA-N 435.641 6.553 30 10 IKEE C=CCSc1nnc(COc2ccccc2OC)n1/N=C/c1cccc2ccccc12 1874290582 WKSJAPHGSGGDKL-PCLIKHOPSA-N 430.533 5.179 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(Cc2ccc(OCC)cc2)nnc1SCC(=C)C 1874303864 VPLDRJGGRHJQNE-YZSQISJMSA-N 448.592 5.383 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874320335 LUXAVCJWRXXMFB-JFLMPSFJSA-N 448.636 6.322 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(F)c3)n2/N=C/c2cccn2C)cc1C 1874357124 RBLWQLSIZDKDGW-CVKSISIWSA-N 433.556 5.138 30 10 IKEE Cc1ccccc1CCc1nnc(SCCc2ccccc2)n1/N=C/c1sccc1C 1874362662 PVWNDPGUYYUCEH-NLRVBDNBSA-N 446.645 5.959 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2/N=C/c2cccc(F)c2)cc1 1874387289 FKLCTNYJNVFKCV-JFLMPSFJSA-N 434.515 5.630 30 10 IKEE Fc1cccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2cccc(Cl)c2)c1 1874417504 MDYZICMPSATUHQ-CVKSISIWSA-N 436.943 5.836 30 10 IKEE COC(=O)c1ccc(/C=N/n2c(SCc3ccccc3C)nnc2-c2ccccc2)cc1 1874426071 PKJMVGQMIYFCFB-WGOQTCKBSA-N 442.544 5.215 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccccc2)n1/N=C/c1ccc2c(c1)OCCO2 1874426142 SXPRKCAHSOOUSW-WGOQTCKBSA-N 442.544 5.199 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccccc2)cc1 1874426897 GODQRIGWJFVXCK-PCLIKHOPSA-N 443.532 5.590 30 10 IKEE CCSc1nnc(C2CCCC2)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874455114 BAXPGLQMLSXYFX-MFKUBSTISA-N 441.000 6.162 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C(C)(C)C)cc1O 1874484025 ACPQIZFSZXLAKT-FSJBWODESA-N 430.961 5.118 30 10 IKEE CCc1ccc(/C=N/n2c(CC(C)C)nnc2SCC(=O)Nc2ccccc2CC)cc1 1874488064 WUIPIGFWBYSCIK-WGOQTCKBSA-N 449.624 5.214 30 10 IKEE Sc1nnc(C2CCC2)n1/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 1874559172 BGLILFVESUIKFB-FOKLQQMPSA-N 433.364 5.602 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1 1874573409 MTOYMZRFBGKJAK-JQIJEIRASA-N 439.382 7.811 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccccc2OCc2cccc(C)c2)cc1 1874584446 OHNKRSGGSNYWSN-LVZFUZTISA-N 442.599 7.819 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OCC(=O)Nc1ccccc1C 1874595646 XCZJCHHKTNTFLH-NTUHNPAUSA-N 435.907 5.571 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1OCCc1ccccc1 1874599922 KSSMFSVMMCONSB-NTCAYCPXSA-N 428.572 6.819 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)OC)c(Br)c2)cc1 1874606575 VQBIBNWFEHZWDC-XYOKQWHBSA-N 431.326 5.240 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Cl)c1OCc1cc(C)ccc1C 1874618753 RFUMKECLOSJTPK-JXMROGBWSA-N 438.926 6.888 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(Cl)c(OCc2ccccc2C)c(OC)c1 1874620402 YQYUQCSZZHZOTH-ZHACJKMWSA-N 436.935 6.449 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OCCc1ccccc1 1874622764 UDEVDIAZFBGOQN-VQHVLOKHSA-N 436.891 5.595 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OCc1cccc(F)c1 1874626387 CCQMXKLXMFMSOD-FMIVXFBMSA-N 434.507 6.325 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1cccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1 1874702244 LTVRSCMPZKCJRE-IZZDOVSWSA-N 429.274 6.177 30 10 IKEE Cc1cc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)c2)ccc1F 1874703708 DDFXMWCROIEKHQ-KPKJPENVSA-N 448.450 5.224 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)cc1F 1874707232 VSJIMXNUKGUZMG-JXMROGBWSA-N 435.407 5.166 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)cc2)cc1 1875099838 BCLCSOSLUMRTSD-ZZYPRXADSA-N 430.931 6.508 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3cccc(F)c3)c(OC)c2)cc1 1875099857 BXIZLUNFOAFYOH-JLHYYAGUSA-N 434.463 5.521 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3OC)c(Cl)c2)cc1 1875106538 DIOIBGGUHJOFHQ-FOWTUZBSSA-N 448.946 6.807 30 10 IKEE O=C(Cc1ccccc1F)Oc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1 1875114476 MLHVWMQYKOYYDG-JLHYYAGUSA-N 439.280 5.632 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1Cl 1875128054 LBPHNVVISULWFT-FYWRMAATSA-N 426.899 6.537 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)c1cnccn1 1875134598 AMERMFDNYISWTP-SOFGYWHQSA-N 436.895 5.261 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)c(C)c3)c([N+](=O)[O-])c2)c(C)c1 1875134934 RFDYXQLPMPTCFN-YRNVUSSQSA-N 429.472 5.944 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(F)c(F)c2F)cc1 1875143790 QQNQUBNHMUHCQD-IZZDOVSWSA-N 426.390 5.536 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)c1cncc(C)c1 1875171294 PLDYTVOFUWBRID-VQHVLOKHSA-N 445.515 5.529 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 1875184741 OIIMBRAKAZWLKR-FOWTUZBSSA-N 432.947 7.061 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)ccc1OC(=O)c1ccccc1 1875190515 UNEXGUAZQDUSRY-ACCUITESSA-N 430.500 5.826 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N1C[C@@H](C)C[C@H](C)C1)n2CCCC 1875213486 ZEYYWQRSEVVCSC-SFTDATJTSA-N 441.664 6.122 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)CCc3cccc(C(F)(F)F)c3)ccc21 1890620322 GSUOQJBEEHZVTK-UHFFFAOYSA-N 446.469 5.214 30 10 IKEE Cc1ccc(C(=O)N2CCC(c3ccc4cc(-c5ccccc5)cnc4n3)CC2)cc1C#N 1891479970 NDIOVBZIDSDHTN-UHFFFAOYSA-N 432.527 5.497 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](O)c1ccc(Cl)c(Br)c1 1922069882 UWUUVIMBGKBWSW-RTWAWAEBSA-N 438.793 5.277 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1csc([C@@H](C)NC(=O)OC(C)(C)C)n1 1922086276 OVBIPPYYQJZEPL-NQIIRXRSSA-N 445.629 5.543 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(C)CCCC[C@H]1NC(=O)OC(C)(C)C 1922103358 MEHOYNONIWXIDX-UMFSSWHCSA-N 430.633 5.601 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C12CC2 1925706878 GYGAZIPQQINCJK-QHCPKHFHSA-N 447.963 5.517 30 10 IKEE CC1(C)CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Br)c2)[C@H](CN)C1 1927161137 QKCAJWGMXAFLRD-YCRPNKLZSA-N 436.394 5.238 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H](C(C)C)N(Cc3ccccc3)C2)cc1 2029765106 SNIOWQYSEQIDKW-IGKIAQTJSA-N 433.596 5.929 30 10 IKEE O=C(C=Cc1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(-c2ccccc2)cc1 2053493652 BXXIGSAQVWQYRB-UHFFFAOYSA-N 427.507 6.497 30 10 IKEE CC[C@H](c1ccc(C(F)(F)F)cc1F)n1nc(C2CC2)c(C=NO)c1Br 2079926892 JANGGNBOCZHQLL-CQSZACIVSA-N 434.231 5.488 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1n1nc(C2CCCCC2)c(C#N)c1Br 2080311496 NJQPLZHBFMBBMQ-MRXNPFEDSA-N 437.382 5.485 30 10 IKEE C=CCCCCCCCCCC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2086262083 RXVLGAVIUSCCIK-DHLKQENFSA-N 445.644 6.751 30 10 IKEE N#Cc1cc(NCc2c(Br)cccc2Br)ccc1Br 2094096930 BVJNOMXUBPYZRL-UHFFFAOYSA-N 444.952 5.458 30 10 IKEE CC(C)c1ncc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)s1 2114344437 PUYQWIKGZHZUIR-OAHLLOKOSA-N 436.375 6.035 30 10 IKEE C=CCCCC[C@H](NCCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2123080663 OXORYJOEKLXZDJ-IBGZPJMESA-N 425.411 6.583 30 10 IKEE CCCCCCCC[C@@H](NC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134724364 VRTYHDUNOAKAGZ-MUUNZHRXSA-N 445.647 7.856 30 10 IKEE CC(C)(C)OC(=O)NCC[C@H]1CCC[C@@H](Nc2cc(Br)c(C#N)cc2F)C1 2162308558 IUVSFNXIBQTBRL-UKRRQHHQSA-N 440.357 5.345 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](CNc1ccc(C#N)c(Br)c1F)c1ccccc1 2162349754 BRZAVIXEFQZVIT-INIZCTEOSA-N 434.309 5.138 30 10 IKEE CCN(Cc1ccccc1Nc1cc(Br)cnc1C#N)C(=O)OC(C)(C)C 2167617401 RJVYEAVDHYPRDN-UHFFFAOYSA-N 431.334 5.216 30 10 IKEE C=CCCCC[C@@H](NC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229128015 VUEPTJDMHYYRQA-RTBURBONSA-N 425.411 5.219 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(F)c([C@H](N)C#Cc2ccccc2Br)c1F 2235735137 SPLWNUSRQJYIRZ-OAHLLOKOSA-N 437.284 5.126 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2cc(Br)ccc2C#N)C[C@H]2CCCC[C@@H]21 2240973474 SRXABXMZSBXTJK-LJHODMEESA-N 434.378 5.301 30 10 IKEE C=C([C@H](NCCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1)C(C)(C)C 2248463154 MOKCMANQOCWSPT-QFIPXVFZSA-N 430.633 5.411 30 10 IKEE C=C(COCc1ccccc1)[C@](C)(OCC(=O)O)c1ccc(NC(=O)OC(C)(C)C)cc1 2261979212 XNYBTWAVYCPBDZ-VWLOTQADSA-N 441.524 5.123 30 10 IKEE CC(C)[C@@]1(Nc2cc(Br)cc(F)c2C#N)CCCN(C(=O)OC(C)(C)C)C1 2289958651 QUDGBTWYMFBGBR-HXUWFJFHSA-N 440.357 5.297 30 10 IKEE CCOc1ccc(Br)cc1C=C1SC(=Nc2cccc(Cl)c2)NC1=O 2295494248 GIXPQIOBZPHESM-UHFFFAOYSA-N 437.746 5.393 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(F)c(C(=O)C#Cc2ccc(Br)cc2)c1F 2296291170 LRPZPBLGQNADFG-UHFFFAOYSA-N 436.252 5.309 30 10 IKEE COc1cc(C(=O)C(=CC=Cc2ccco2)c2nc3ccccc3o2)cc(OC)c1OC 2297471787 GBPHLLURRLRNOG-UHFFFAOYSA-N 431.444 5.426 30 10 IKEE COc1c2c(cc3c1[C@H](CC(=O)C(C)=C[C@@H]1C(C)=CCCC1(C)C)N(C)CC3)OCO2 2297731142 SSFGQCRZUFDDEM-UXHICEINSA-N 425.569 5.241 30 10 IKEE O=C1C(=Cc2ccc3c(c2)OCO3)SC(=Nc2cccnc2Cl)N1c1ccccc1 2314540029 HGOUCBDFVVWWPC-UHFFFAOYSA-N 435.892 5.272 30 10 IKEE CCN1C(=O)C(=Cc2ccc(-c3cccc(Cl)c3)o2)SC1=Nc1ccncc1Cl 2314543288 ZZBRGQONLFWMFW-UHFFFAOYSA-N 444.343 6.272 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CC2)cc1 2320879189 BMECHZLPFBBVAR-UHFFFAOYSA-N 440.016 5.830 30 10 IKEE CCOc1cc(C=Nn2c(S)nnc2C2CCC2)ccc1OCc1ccccc1Cl 2321901600 QPLJJCIBWFOPQM-UHFFFAOYSA-N 442.972 5.348 30 10 IKEE COc1cc(C=Nn2c(S)nnc2CC2CCCCC2)ccc1OCc1ccccc1 2321958534 HBVVPVYFXMPXOA-UHFFFAOYSA-N 436.581 5.159 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(F)c(C)c2)c1OCC(=O)Nc1ccc(C)cc1C 2322638060 AYHSEHMTCXRXAP-UHFFFAOYSA-N 447.506 5.673 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)c1OCCCO 2322828460 DYQVIWJJRZHWDQ-UHFFFAOYSA-N 445.726 5.321 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(OC(=O)Cc4ccccc4)c3C)C2=O)c2ccccc21 2322884532 DXWVSWKJAALZRH-UHFFFAOYSA-N 437.495 5.734 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c3C)C2=O)cc1 2323149274 CXLLDGIHFBUVBJ-UHFFFAOYSA-N 445.427 5.137 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)ccc2C1=O 2323328127 BXVIYJXCMZWBOX-UHFFFAOYSA-N 445.427 5.137 30 10 IKEE COc1ccccc1C=C1Oc2cc(OC(=O)C(Cl)=Cc3ccccc3)cc(C)c2C1=O 2323439482 PSOXQDFUCJSLEL-UHFFFAOYSA-N 446.886 5.805 30 10 IKEE CCOc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2sccc2C)C3=O)cc1 2323511226 DSQPRPDVNNHJGY-UHFFFAOYSA-N 432.497 5.690 30 10 IKEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(OC)c(C)c3)cc2Cl)o1 2323561487 ZWPPNQYCZHBOFY-UHFFFAOYSA-N 440.879 5.512 30 10 IKEE Cc1cc(OC(=O)c2cccc(OCC(C)C)c2)cc2c1C(=O)C(=Cc1ccccc1)O2 2323580047 KUUSHBHXRSNRCS-UHFFFAOYSA-N 428.484 5.865 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)c1 2323802813 QUQDMIZMVDFSCX-UHFFFAOYSA-N 445.427 5.137 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OCC(=O)Nc1ccc(C)cc1 2323872865 NENLMZYUJRZWME-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(F)c(C)c3)cc2Cl)o1 2323970586 YFMKGRTWBCCMAX-UHFFFAOYSA-N 428.843 5.642 30 10 IKEE C[C@@H]1C[C@@H](C)CN(Cc2c(O)ccc3c2OC(=Cc2c(Cl)cccc2Cl)C3=O)C1 2324048185 RALNECPFVYSYQR-ZIAGYGMSSA-N 432.347 5.793 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 2324055449 UCGOEWIZCUYTBV-UHFFFAOYSA-N 441.571 6.460 30 10 IKEE Cc1ccccc1COc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 2324066347 ACWYFZPQMZLJRT-UHFFFAOYSA-N 429.516 6.676 30 10 IKEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(OC)c(F)c3)cc2Cl)o1 2324110886 MMIOKEJTDCMTOP-UHFFFAOYSA-N 444.842 5.342 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(C)cc2)C3=O)cc1 2324478148 YNXAPHUJHHFNPC-GOSISDBHSA-N 427.500 5.580 30 10 IKEE Cc1cccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2cccc(F)c2)C3=O)c1C 2324499199 NRFAXVQXYQJTME-GOSISDBHSA-N 445.490 5.773 30 10 IKEE CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2cccs2)C3=O)cc1 2324521463 ZXDVEXIJHDACMC-OAHLLOKOSA-N 435.501 5.169 30 10 IKEE Cc1ccc(C)c(-c2csc([C@@H](C#N)C(=O)C(=Cc3ccccc3)c3ccccc3)n2)c1 2324561039 FNWCNVXORSMZCF-VWLOTQADSA-N 434.564 6.844 30 10 IKEE CCc1ccc(NC(=O)[C@@H](CC)Oc2ccc3c(c2C)OC(=Cc2ccccc2)C3=O)cc1 2324817139 NJEQJCIEQLCECJ-HSZRJFAPSA-N 441.527 5.970 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2cccc(C)c2)C3=O)cc1 2325616560 WNGHQBKTUCNQDZ-IBGZPJMESA-N 441.527 6.142 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3cc(C)ccc3C)c2)cc1 2325711455 QJUPAHFMQBUHSA-UHFFFAOYSA-N 426.556 6.690 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)C34CC5CC(CC(C5)C3)C4)c2)cc1F 2325748693 FEHRYKKZGWKTNE-UHFFFAOYSA-N 434.507 5.852 30 10 IKEE CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1c(F)cccc1Cl 2326099375 DKDQTVAFJBYRGU-UHFFFAOYSA-N 439.343 5.524 30 10 IKEE CCCCOc1cccc(C=Nn2c(CCC)nnc2SCc2cc(C)ccc2C)c1 2326600968 DTVCQUJHJJBWBE-UHFFFAOYSA-N 436.625 6.201 30 10 IKEE CCCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(OC)c(O)c1 2327771893 OHIXZVAUJGBDHM-UHFFFAOYSA-N 432.549 5.121 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2N=Cc2ccc(O)c([N+](=O)[O-])c2)CC1 2328179841 DTLKDBOHJLOBNN-UHFFFAOYSA-N 445.589 5.740 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3cccc(C)c3)n2N=Cc2ccc[nH]2)cc1 2328564222 QYKKTIHHNDKOQL-UHFFFAOYSA-N 431.565 5.079 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3C)n2N=Cc2ccc[nH]2)cc1C 2328774312 DHYASPKMXKEHOD-UHFFFAOYSA-N 431.565 5.285 30 10 IKEE Fc1cccc(C=Nn2c(SCc3cccc(F)c3)nnc2-c2ccccc2Cl)c1 2329553037 PFLJHWAQVSQICI-UHFFFAOYSA-N 440.906 6.051 30 10 IKEE COc1ccc(C=Nn2c(Cc3ccc(C)cc3)nnc2SCc2ccccc2F)cc1 2329992661 PMAQUNFGGFHQJR-UHFFFAOYSA-N 446.551 5.500 30 10 IKEE Cc1cccc(CSc2nnc([C@@H](C)c3ccccc3)n2N=Cc2ccccc2Cl)c1 2330073787 MQSDVXLJTANNMA-IBGZPJMESA-N 447.007 6.566 30 10 IKEE C=C(C)CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1ccc(OCCCCC)cc1 2330108481 MUCBXRLECLTCQE-NRFANRHFSA-N 448.636 6.549 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCc3cccc(Cl)c3)nnc2-c2cccs2)c1 2330604930 SQCJWVALGJEKJI-UHFFFAOYSA-N 440.981 5.849 30 10 IKEE Fc1cccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2[C@H]2CCCO2)c1 2331009121 QCQCZVPKZVJHCX-GOSISDBHSA-N 434.899 5.236 30 10 IKEE CCSc1nnc(C2CCCC2)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2331056779 BAXPGLQMLSXYFX-UHFFFAOYSA-N 441.000 6.162 30 10 IKEE Clc1ccc(CSc2nnc(C3CCCC3)n2N=Cc2ccccc2Cl)cc1 2331087018 XNIZGOVHOUHWTH-UHFFFAOYSA-N 431.392 6.417 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1OC 2331106139 KVDIPOQSFOEARM-UHFFFAOYSA-N 438.426 5.026 30 10 IKEE CCSc1nnc(C(F)(F)F)n1N=Cc1ccccc1OCc1ccccc1Cl 2331129401 WSADFTVCCSKDOH-UHFFFAOYSA-N 440.878 5.524 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3ccccc3)c(OC)c2)cc1 2331187297 RXJHJXSGORJSPM-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)c1ccc(C)cc1 2331402947 KREKHCGQOLZZAS-UHFFFAOYSA-N 444.483 5.280 30 10 IKEE COC(=O)c1ccc(CSc2nnc(CC(C)C)n2N=Cc2cccc3ccccc23)o1 2331451142 SZEWUZVYTPGYEB-UHFFFAOYSA-N 448.548 5.184 30 10 IKEE O=C(Cc1ccccc1F)Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1Cl 2331472290 GUQFWGKRMMONTE-UHFFFAOYSA-N 444.889 6.677 30 10 IKEE COc1ccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2C2CCC2)c(OC)c1 2331523521 DTACEBFQRIMZAF-UHFFFAOYSA-N 436.581 5.354 30 10 IKEE Cc1ccccc1CCC(=O)Oc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1 2331644500 KPJBGFNNGNUTNT-UHFFFAOYSA-N 426.556 6.663 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OC(=O)c3cccc(F)c3)c([N+](=O)[O-])c2)c1C 2331648930 ARHWBVAWEARJLH-UHFFFAOYSA-N 447.462 6.083 30 10 IKEE C=CCCC1([C@@H](N)c2cc(Cl)cc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2337103140 UGLJQZHFXCUHKP-INIZCTEOSA-N 447.776 5.445 30 10 IKEE CC[C@H](C)[C@@H](COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339574217 FCHGBUTWATYSAF-QZASHXROSA-N 446.397 5.044 30 10 IKEE CC1(C)OB(/C=C/c2ccc(Oc3ccc(Cl)cc3Br)nc2)OC1(C)C 2365123385 LJHIOFHYMSEZAQ-MDZDMXLPSA-N 436.542 5.934 30 10 IKEE O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C/c1ccc(-c2cccc(Cl)c2)o1 8820956 URWAZAFYBWPTNS-LICLKQGHSA-N 449.746 6.798 30 10 IKEE O=C1/C(=C/c2c[nH]nc2-c2ccc(F)cc2)CS/C1=C\c1c[nH]nc1-c1ccc(F)cc1 20151921 JTEOEBVHCGDKMH-DOWYWXMCSA-N 446.482 5.485 30 10 IKEE C=CCNC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CC[C@H](C(C)(C)C)C2 20467886 YWQWZUIDMPMYDO-AWEZNQCLSA-N 431.001 5.721 30 10 IKEE COc1ccc(OC)c([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(Cl)c(Cl)c2)C3)c1 20881920 XMPLSVCWDUKDQP-CJNGLKHVSA-N 446.330 5.015 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2ccco2)cc1 33379775 JSRTYTRYWXXQFK-DEOSSOPVSA-N 441.483 5.928 30 10 IKEE COc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)c2ccc(Br)cc2)cc1 34954733 CGTWTFKJHRXQBY-XNTDXEJSSA-N 437.289 5.573 30 10 IKEE O=C(/C=C/c1ccc(Cl)cc1Cl)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 34955102 ORTGVJSMTILHSW-WUXMJOGZSA-N 442.254 6.017 30 10 IKEE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\Oc3ccc(C)cc3C2=O)cc1C 39842441 ZQNSOHNRVZFDCS-QQXSKIMKSA-N 436.511 6.171 30 10 IKEE Cc1cc(C)cc(-n2c(C)cc3c2CC(C)(C)C/C3=N\OC(=O)Nc2cccc(Cl)c2)c1 39853192 GAFNISGERGLNNQ-BYNJWEBRSA-N 449.982 6.981 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 40076792 LWXJMPHUDUUIQR-OAQYLSRUSA-N 425.956 6.016 30 10 IKEE Cc1ccc(C)c(COc2ccc3c(c2C)O/C(=C\c2ccc(-c4ccccc4)cc2)C3=O)c1 41433553 LLQOMMHZUDWMQL-MIXAMLLLSA-N 446.546 7.474 30 10 IKEE Cc1cc(/C=C2/S/C(=N/c3cccc(Cl)c3Cl)NC2=O)c(C)n1-c1ccccc1 59433541 BQDRNGQCCACKBX-XDHOZWIPSA-N 442.371 6.293 30 10 IKEE CCCCCCCCCCCCCCCCCCOC(=O)N[C@]1(C)CCS(=O)(=O)C1 59568228 GYQPRLDQFGFHHF-XMMPIXPASA-N 445.710 6.551 30 10 IKEE CCc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3c(C(=O)Nc4ccccc4)cnn32)cc1 64873996 UWEGGUDNYVHHRN-DEOSSOPVSA-N 440.547 5.356 30 10 IKEE N#Cc1cccc(Cn2c(=O)[nH]c3scc(-c4ccc(-c5ccccc5)cc4)c3c2=O)c1 96535271 GDNRBPREHQMRHY-UHFFFAOYSA-N 435.508 5.005 30 10 IKEE CC(C)COc1c(Cl)cc(/C=N\n2c(S)nnc2-c2cccs2)cc1Cl 169912602 BIFVAYNEENWGAW-ZBKNUEDVSA-N 427.382 5.519 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2cccc(C)c2)cc1 169922909 QHWKPAICFYOLGX-SANMLTNESA-N 449.506 5.940 30 10 IKEE O=C1CCCC2=C1[C@H](c1cccc(OCc3c(Cl)cccc3Cl)c1)NC(=S)N2 169938920 UMFPUUORDDNZGC-FQEVSTJZSA-N 433.360 5.098 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3ccccc3)cs2)cc(Br)c1OCC 169940394 LMKIQZOPLDYMLC-UUYOSTAYSA-N 446.370 5.816 30 10 IKEE CCCCCCOc1ccc(/C=N\Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1OC 169941735 ALKJLFCJJGHPTK-QQXSKIMKSA-N 437.609 6.841 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 170031234 DKIGWGSOPVBKLP-QHCPKHFHSA-N 431.488 5.019 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2)cc1 170049331 AKXDPRWTYSJZLR-QHCPKHFHSA-N 429.491 5.906 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccccc2C)cc1 170089187 RGOQLAIFNQKQHH-QHCPKHFHSA-N 447.918 5.830 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccc(O)cc2)cc1C 170132201 BMEPIASQZHNMAH-XMMPIXPASA-N 443.499 5.109 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2C2CCCCC2)c1 170145508 KVYCKZGKZQAZOS-MZNJEOGPSA-N 431.532 5.229 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(OC)ccc3Cl)[C@@H]2c2cccnc2)cc1 170186007 VZATZWUZUASOMX-QFIPXVFZSA-N 448.906 5.089 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(OCC)c1 170217763 XFBQQGYSHBSTHG-HXUWFJFHSA-N 448.346 5.771 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2C2CCCC2)c1 170218637 SGJKLHWRULMDDZ-DEOSSOPVSA-N 449.547 5.393 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2c2ccccc2)cc1 170265573 VRBRRBZWSYRCDN-RUZDIDTESA-N 439.511 5.357 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2c2cccc(C)c2C)o1 170302569 MPKTUUOTLCMVPF-XMMPIXPASA-N 443.499 5.313 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1Cc1ccncc1 170317255 UWARBRYQEWVPLB-OAQYLSRUSA-N 448.544 5.017 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1cccc2ccccc12)c1ccco1 170420845 WYYMBDSKBFILNH-QHCPKHFHSA-N 427.431 5.350 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1c[nH]c2ccccc12 170422922 APASPRFLRADJIR-QFIPXVFZSA-N 444.512 5.017 30 10 IKEE COc1ccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1 170427575 WQHHDKPSBOUVSY-FQEVSTJZSA-N 433.426 5.229 30 10 IKEE CC(C)COC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]2c2cccs2)cc1 170476679 ZFOMGCQWHYKWOY-LJQANCHMSA-N 441.549 5.076 30 10 IKEE COc1ccc(OC)c2c(C#Cc3ccccc3)c3ccccc3c(C#Cc3ccccc3)c12 207483622 UEXPUIGHURZSFU-UHFFFAOYSA-N 438.526 6.810 30 10 IKEE Cc1ccc(NC(=O)C[C@@H]2SC(=NN=C(/C=C\c3ccccc3)C3CC3)N=C2O)cc1 252617210 KOOIHWWTGDBETJ-QBMHMRATSA-N 432.549 5.231 30 10 IKEE COc1ccc(NC(=O)c2c(N=Cc3ccc(F)cc3)sc3c2CCCC3)c(OC)c1 254392931 KZHDBPLBMFTQDT-UHFFFAOYSA-N 438.524 5.786 30 10 IKEE Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(N=Cc3c(Cl)cccc3Cl)cc1)N2 254393287 CWPKVJRKDYJFFN-KYTVRQNUSA-N 433.382 7.879 30 10 IKEE C=C1[C@H]2[C@H]3CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC[C@H]1C 257418099 FPEQZEXTCWHNGF-KGIJLLKVSA-N 426.729 8.025 30 10 IKEE CCCCCCCCCCCCCC[C@H](O)[C@@H](O)[C@H](CO)NC(=O)CCCCCCC 504711985 XQNJLWJVISBYSS-GNKBHMEESA-N 443.713 5.637 30 10 IKEE Cc1cccc([C@H]2C(c3cccc(OCC(C)C)c3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 526487597 COSOQFNSBQMYTR-SANMLTNESA-N 438.527 5.959 30 10 IKEE COc1ccc([C@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1Cl 526490021 CUAMWRVBSXRFSR-QHCPKHFHSA-N 430.891 5.586 30 10 IKEE CC(C)COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccncc2)c1 526490103 ZJZFTAJQPSYXEW-XMMPIXPASA-N 425.488 5.045 30 10 IKEE CC(C)Oc1ccc(/C=N\n2cnnc2SCc2ccc(F)cc2)cc1Br 526801691 ZRPNJRKHCPWVSW-RMORIDSASA-N 449.349 5.141 30 10 IKEE COc1cc(/C=N\n2cnnc2SCc2cccc(C)c2)ccc1OCc1ccccc1 526807799 CLEDYJZMHMPPCT-DICXZTSXSA-N 444.560 5.349 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1ccc(C(F)(F)F)cc1 526823331 GXHNJZMTWKZMPZ-OPVMPGTRSA-N 445.297 6.087 30 10 IKEE C#CCN(c1ccc(Br)c(C)c1)S(=O)(=O)c1ccc(CCCCCC)cc1 586235982 JAELQGJOIFFEBK-UHFFFAOYSA-N 448.426 5.709 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)CN(C(=O)OC(C)(C)C)C(C)(C)C 698485758 NJGJDAPVKHNKEQ-KRWDZBQOSA-N 447.576 5.364 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)CN(C(=O)OC(C)(C)C)C(C)(C)C)cc1 710705707 BXELWPUFLPBNQO-IBGZPJMESA-N 431.577 5.664 30 10 IKEE CCN(CCO)c1ccc(/N=N/c2ccc(/C=N\Nc3ccc([N+](=O)[O-])cc3)cc2)cc1 1082195087 BAMKNBAJSCNEIO-LTUYXDACSA-N 432.484 5.275 30 10 IKEE Cc1ccc(-c2nc(N=Cc3ccccc3F)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 1084547411 VOKHWINTGRNDLO-UHFFFAOYSA-N 431.492 6.892 30 10 IKEE COc1ccc(Cl)cc1N=Cc1ccc(OCc2cccc(C(=O)O)c2)c(OC)c1 1084567599 QSFOXZFRFNUYHH-UHFFFAOYSA-N 425.868 5.385 30 10 IKEE CC1(C)CC(=O)[C-]([C@H](C2=C(O)CC(C)(C)CC2=O)c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)C1 1088705631 XRDXZLVLPXKODS-IBGZPJMESA-N 446.907 5.066 30 10 IKEE Cc1ccc([N+](=O)[O-])c(C)c1[C@H](C#N)OC(=O)[C@H]1[C@H](/C=C(/Cl)C(F)(F)F)C1(C)C 1614949811 OFRLMCIHHTXJPU-XCWDQLSGSA-N 430.810 5.277 30 10 IKEE COc1ccc(/C=C2/SC(=NN=Cc3ccccc3C)N(Cc3ccco3)C2=O)cc1 1772756970 INMRLSCSOQEVFM-HWVQBVCISA-N 431.517 5.103 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccc2OCCCc2ccccc2)c1 1858742173 NFVLAVXTEUXOJJ-UHFFFAOYSA-N 429.564 6.183 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 1859456341 OIUGOXXMZNJVAI-DEOSSOPVSA-N 434.580 5.151 30 10 IKEE CCCCCCCCNC(=O)[C@@H](NC(=O)COc1ccc(Cl)cc1)c1ccccc1 1861731352 HIIBVGJGIHLZMJ-QHCPKHFHSA-N 430.976 5.053 30 10 IKEE N#Cc1cccc(NC(=O)c2cc(CCc3ccccc3)n(-c3ccccc3Cl)n2)c1 1862325884 FSONYAFIYFJYSK-UHFFFAOYSA-N 426.907 5.435 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2cccc(OC)c2)cc1 1862391562 CXSQPCSUBAXTOA-DEOSSOPVSA-N 435.564 5.662 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1cccc(F)c1 1862468770 XMTCYMWHQSJLAK-IBGZPJMESA-N 446.316 5.357 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(F)cc1F 1862476494 AXUBCVLTDWROCR-QHCPKHFHSA-N 441.518 6.212 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862478099 YVDSTMQOXYIOSU-QFIPXVFZSA-N 428.513 5.316 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc(OCC)c1 1862478652 NBVUDUHGCPUXRX-RUZDIDTESA-N 449.591 6.333 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862502002 OVXDGRCHBCGEGA-DEOSSOPVSA-N 429.491 5.475 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2ccc(OCC)cc2)cc1 1862519567 NEKWXKZALMFBBD-HXOBKFHXSA-N 437.536 5.251 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1cccc(Cl)c1 1862616639 CTPXQMLHFBXMRQ-QVKFZJNVSA-N 425.956 6.014 30 10 IKEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1c(F)cccc1Cl 1862619882 FLYPZASJNGHYBV-FQEVSTJZSA-N 445.918 5.001 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2ccc(F)cc2)cc1F 1862638355 ZLOSAPNSTHMGPT-QHCPKHFHSA-N 449.453 5.060 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C2CC2)cc1 1862655969 SZIXOACJZPYKSH-XMMPIXPASA-N 427.500 5.369 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccccc2F)cc1 1862660989 AORZLZUTSHPODA-VWLOTQADSA-N 447.550 6.418 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862667948 NDEXVOWHMUNTEG-FQEVSTJZSA-N 430.331 5.881 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccc(Cl)c1)c1ccc2ccccc2c1 1862711757 BVTDPMKNJRNQEZ-QHCPKHFHSA-N 443.886 5.865 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(OC)c(OC)c1 1862717052 VMONEUMLTFCBFM-FYSMJZIKSA-N 445.515 5.234 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccccc1F 1862724804 UGCOSMRCMZHTFX-RUZDIDTESA-N 443.518 6.261 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862760708 UQUVFRSPCFOPMD-SFHVURJKSA-N 449.290 5.136 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(Cl)c3C)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862903407 RXBRPRIYEWEWDR-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2F)C(=O)N(CCCOCCCC)C1=O 1863649501 PGEWRFKZEMOLPT-UHFFFAOYSA-N 432.580 5.063 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(F)c(C)c2)C(=O)N(CCCOCC)C1=O 1863792556 CDRMNFPVWPFAKH-UHFFFAOYSA-N 446.607 5.371 30 10 IKEE C=CCOc1ccccc1OCC(=O)NCC[C@@H](C)c1cccc(-c2ccc(O)cc2)c1 1865929117 DPCUSFVMVZPPJZ-HXUWFJFHSA-N 431.532 5.313 30 10 IKEE CCCCCCCCCCCC(=O)Nc1nc(-c2ccccc2)c(C(=O)OCC)s1 1865986114 PCJRMHWBWYDMMQ-UHFFFAOYSA-N 430.614 6.846 30 10 IKEE CCCc1nc(Nc2ccc(C#N)cc2)cc(N2CCC(Oc3cccc(Cl)c3)CC2)n1 1868401403 YSFMCVZVQKSUPG-UHFFFAOYSA-N 447.970 5.746 30 10 IKEE Cc1nc(Nc2ccccc2C#N)cc(N2CCC(c3nc4c(s3)CCCC4)CC2)n1 1868490344 FDRVMJNWRTVMPL-UHFFFAOYSA-N 430.581 5.120 30 10 IKEE CCCCCCCOc1cn(Cc2ccco2)c(CNc2ccc(Cl)c(C)c2)cc1=O 1870836384 MCDVSRTUXPXEHU-UHFFFAOYSA-N 442.987 6.413 30 10 IKEE C#CCOc1cn(CCC2=CCCCC2)c(CNc2ccc(N(CC)CC)cc2)cc1=O 1871008688 IQIWILJBAYSYEN-UHFFFAOYSA-N 433.596 5.209 30 10 IKEE CCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CNc1ccccc1C(C)C 1871058440 FUONYEMXGNKBCO-UHFFFAOYSA-N 438.656 7.289 30 10 IKEE O=C1/C(=C/c2cccc(Cl)c2)Oc2c1ccc1c2CN(CCOc2ccccc2)CO1 1871346769 WJMFMUCVZMAQJA-UCQKPKSFSA-N 433.891 5.187 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2)Oc2c1ccc1c2CN(C23CC4CC(CC(C4)C2)C3)CO1 1871353687 VBIOMCGYOXVGAO-VROXFSQNSA-N 447.962 6.077 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3C)C2=O)c1 1871374875 HJLTVUFJEAWXSO-UUYOSTAYSA-N 429.428 5.355 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2)C3=O)c(OCC)c1 1871386765 LZDYWCLUKISWSM-IWIPYMOSSA-N 444.483 5.628 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccc(F)cc4)c3C)C2=O)c1 1871401288 YWPLUKIAPDZRLW-ZGWJWYQGSA-N 447.462 5.165 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(O[C@H](C)C(=O)Nc4ccccc4C)c3C)C2=O)cc1 1871410393 ZSEJDTMGIPCRHI-BEXDPUPVSA-N 443.499 5.334 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccccc2)C3=O)cc1 1871412132 PKOGRAMKXKJDQO-XYLCRUHJSA-N 429.472 5.026 30 10 IKEE COc1ccc(C(C)(C)C)cc1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccco1)C2=O 1871433389 BWNMBTKHTIOIHJ-UCQKPKSFSA-N 447.487 5.219 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCc4ccc(C(=O)OC(C)C)o4)c3C)C2=O)cc1 1871439036 DYDMXEFXFJUFMR-QRVIBDJDSA-N 432.472 5.657 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc5ccccc45)ccc3C2=O)cc1 1871452826 RIMNAZSXDXNBRG-YSMPRRRNSA-N 435.479 5.782 30 10 IKEE Cc1c(OCC(=O)Nc2ccccc2F)ccc2c1O/C(=C\c1ccc(Cl)cc1)C2=O 1871459800 DYGVTHNUYAFXMF-MTJSOVHGSA-N 437.854 5.421 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cc(C)cc(C)c1)[C@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872005754 WFPGTRSKYVNJSU-AUSIDOKSSA-N 446.588 5.063 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1cccs1 1872443331 BHVZGRUOWYSIKK-OAQYLSRUSA-N 448.654 5.492 30 10 IKEE COc1ccc(OC)c(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)c1 1872760511 QFZSPABHDAHLRY-CRWWQRIJSA-N 444.556 5.596 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3c(Cl)ccc(Cl)c3OC)n2)cc1 1872768034 IEIVWEGWJMHZSZ-AWEZNQCLSA-N 447.343 6.014 30 10 IKEE Cc1sc([C@H](C#N)C(=O)CN2CCC(Cc3ccccc3)CC2)nc1-c1ccccc1 1872795919 DVCRNEAEKSBHPN-HSZRJFAPSA-N 429.589 5.250 30 10 IKEE C=CCc1ccccc1OCc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1 1872859621 ZGWLZCBYRKXVIQ-UHFFFAOYSA-N 433.551 6.514 30 10 IKEE CCCCCCCCNC1=C(c2ccc(Cl)cc2)C(=O)N([C@H](CC)CCCCC)C1=O 1873138223 ICVDUIDKSZPSEX-JOCHJYFZSA-N 447.063 6.729 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(OC)c(Cl)c2)=C(c2ccccc2)C1=O 1873415702 YDXGDHCBWRMGHC-UHFFFAOYSA-N 440.971 5.901 30 10 IKEE CCCCCCCCCCNC(=O)COc1ccc2cc(-c3ccccc3)c(=O)oc2c1 1873935750 YCORFRZATGKJCS-UHFFFAOYSA-N 435.564 6.096 30 10 IKEE CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1cccc(F)c1 1874203379 YYNRIHSVBAYSLH-AFUMVMLFSA-N 426.561 5.596 30 10 IKEE CCOc1cc(/C=N/n2c(CCc3cccc4ccccc34)nnc2SCC)ccc1O 1874231792 BBPJVOUUXKHYHS-YZSQISJMSA-N 446.576 5.315 30 10 IKEE CSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc(Br)cc1 1874276126 WGTDAVAJVPEGNT-CIAFOILYSA-N 435.778 5.083 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2ccccc2F)n1/N=C/c1ccccn1 1874300241 CZWOYRCQQALJND-MZJWZYIUSA-N 447.539 5.183 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2F)n1/N=C/c1ccccc1 1874362704 SCEHUJHFPWUUIP-WPWMEQJKSA-N 430.552 5.685 30 10 IKEE COc1ccccc1/C=N/n1c(SCCc2ccccc2)nnc1[C@H](C)c1ccccc1 1874400340 OGXCRLROXIBTEC-PZLSILOWSA-N 442.588 5.656 30 10 IKEE COc1ccccc1/C=N/n1c(Cc2ccccc2)nnc1SCc1ccc(Cl)cc1 1874418695 DNHVCKPVFCBWKH-WGOQTCKBSA-N 448.979 5.705 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(-c2cccs2)n1/N=C/c1ccc[nH]1 1874423101 VBIZKYLRKONOEV-LSHDLFTRSA-N 434.377 5.816 30 10 IKEE Cc1ccccc1CSc1nnc(CC(C)(C)C)n1/N=C/c1c(F)cccc1Cl 1874437190 OMYJSDVPNPGITL-DHRITJCHSA-N 430.980 6.142 30 10 IKEE Cc1cccc(CSc2nnc(CC(C)(C)C)n2/N=C/c2cn(C)c3ccccc23)c1 1874437520 FUZZYCFKPZYRGZ-CVKSISIWSA-N 431.609 5.841 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C(F)(F)F)cc1 1874459218 BZAYOZXZASOKCT-BRJLIKDPSA-N 438.450 5.399 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SCCC)nnc2C(F)(F)F)cc1OCC 1874461741 DHDOSYAWANHBRT-ZVHZXABRSA-N 444.523 5.649 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2C(C)(C)C)cc1 1874482459 DOBXRHVJFDBQCH-MFKUBSTISA-N 426.561 5.678 30 10 IKEE COCc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc(Cl)c(Cl)c1 1874502224 WNADWLIIRWQVAX-LSFURLLWSA-N 441.771 5.559 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(C(C)C)n1/N=C/c1ccccc1Cl 1874510718 XBXNYYVKVPQHMC-ZMOGYAJESA-N 441.988 5.230 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc(F)cc1F 1874511115 LAZHCLJTGAVIKC-YSURURNPSA-N 441.334 5.990 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C(C)C)cc1 1874514001 BCIYEBXSIHBXKN-WYMPLXKRSA-N 433.408 6.445 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1cn(C)c2ccccc12 1874526174 SBPLMTSYTZMUHN-CVKSISIWSA-N 425.561 5.660 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(C)n2/N=C/c2c(Cl)cccc2Cl)cc1 1874530616 RXQPFUVKEPZWPD-FOKLQQMPSA-N 448.379 5.069 30 10 IKEE CCc1ccccc1NC(=O)COc1c(/C=C/C(=O)c2ccc(F)c(C)c2)cccc1OC 1874581610 WWSJHENWUOWTHR-FYWRMAATSA-N 447.506 5.619 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c1OCc1ccccc1C 1874582815 IHXZBWGUNYWMBQ-NTCAYCPXSA-N 448.990 7.430 30 10 IKEE COC(=O)c1ccc(COc2ccc3ccccc3c2/C=C/C(=O)c2ccc(C)c(C)c2)o1 1874588474 OJDSEBZXGPKEOP-OUKQBFOZSA-N 440.495 6.311 30 10 IKEE C=CCOc1ccc(Br)cc1/C=C/C(=O)c1ccc(OCC)cc1OCC 1874589459 MVTZIXUETDRCRO-YRNVUSSQSA-N 431.326 5.707 30 10 IKEE CCCNC(=O)COc1ccc(Br)cc1/C=C/C(=O)c1c(C)cc(C)cc1C 1874590169 WMTYOXPLLSPENU-SOFGYWHQSA-N 444.369 5.175 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1OCC(=O)Nc1ccccc1F 1874596798 DEWGWICXHUVWAB-PKNBQFBNSA-N 449.478 5.065 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(Cl)c3)c([N+](=O)[O-])c2)cc1 1874607522 RZEREXNAGCSRFB-GXDHUFHOSA-N 449.934 7.066 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc(Cl)c1OCCCO 1874615598 GVLKTLDRAHQJMS-QPJJXVBHSA-N 429.727 5.703 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OCC(=O)OCC(C)C)c(Br)c2)ccc1F 1874618748 RCEOCSZEQHSGOQ-XBXARRHUSA-N 449.316 5.371 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OCc1ccccc1Cl 1874622894 BCXNUBBSGFHMKP-JQIJEIRASA-N 442.942 7.367 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OCc2cccc3ccccc23)cc1 1874634636 MCRNREVOTGVZLT-NTCAYCPXSA-N 442.942 7.285 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)ccc1OCc1ccccc1 1874639451 ABZSMJYMLZNTSQ-JLHYYAGUSA-N 434.488 5.196 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@H]3C[C@H]3c3ccccc3Cl)c2)cc1 1874694895 ZMDKMZQKGLBRRK-UPIBKWGZSA-N 430.931 6.508 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OC(=O)Cc1ccc(C)c(C)c1 1874716140 CWVNKLHEIXPUDA-PKNBQFBNSA-N 442.555 6.282 30 10 IKEE COc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3cc(C)c(OC)cc3C)c2)cc1 1874717588 CZFPWXIDDQKLKX-MDWZMJQESA-N 446.499 5.201 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)COc3ccc(C)cc3C)c2)cc1C 1874717898 OCVUEIAYMHWDHO-ZHACJKMWSA-N 444.527 5.809 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)cc1)c1ccc(F)cc1F 1875120250 KGRMLJNECJISGA-WYIOMSSPSA-N 438.857 6.223 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)c1ccc(C)cc1 1875139033 OKWLLXCFAHQYSQ-FMIVXFBMSA-N 434.919 6.389 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)c(F)c3F)c(Cl)c2)c1 1875139508 LYGXIAMNMGEZHD-WEVVVXLNSA-N 444.836 6.489 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)CCCOc1ccccc1 1875140072 OLGVENCXULYPQK-FYWRMAATSA-N 444.527 5.973 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1ccc(F)cc1 1875145288 JTXYSXRLZFHPPK-WUXMJOGZSA-N 434.463 5.657 30 10 IKEE CC(C)(C)C(=O)Oc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1Br 1875148653 RNHGOHSOVJFWAS-NTUHNPAUSA-N 443.381 6.594 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccs3)c([N+](=O)[O-])c2)cc1 1875148742 UCXYWYIRFRSWAA-WUXMJOGZSA-N 435.501 6.069 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OC(=O)c1ccco1 1875164955 JLWACBBJRLTWTP-CSKARUKUSA-N 434.488 5.844 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc(OC)c1OC(=O)c1ccccc1 1875169405 KSVUGKDWYVGLHW-VAWYXSNFSA-N 446.499 5.445 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)c3cc(C)cc(C)c3)cc2)c1 1875171617 FYVQJJSDVIPJFG-UKTHLTGXSA-N 444.527 6.216 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2)cc1 1875175678 BAHSHDIWUZXMRW-GZTJUZNOSA-N 428.528 6.136 30 10 IKEE C=C(c1ccccc1)[C@H](NC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1888681412 DRTASEOTPHCSHV-PMERELPUSA-N 435.567 6.819 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]12CCC[C@@H](CC1)N2C(=O)OC(C)(C)C 1951096277 GLZKWXSUMLIJMQ-PPJWLVRDSA-N 428.617 5.450 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@H]1CN(C(=O)OC(C)(C)C)C2(CCCC2)C1 2003112958 ZHMOVXRVSDTJBL-DHIUTWEWSA-N 428.617 5.307 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@@]1(C#N)CCN(Cc2ccccc2)CC12CCC2 2037439867 YAPQMFGCQAPOSH-XMMPIXPASA-N 438.576 5.262 30 10 IKEE CC[C@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(C)c2)CN1C(=O)OC(C)(C)C 2040666802 FDYIRJUSLWQEMD-UQBPGWFLSA-N 443.588 5.808 30 10 IKEE Cc1ccc(S(=O)(=O)n2ccc(C(=O)C=Cc3csc(-c4ccsc4)n3)c2)cc1 2042455302 OEWYIGBCHMUOHD-UHFFFAOYSA-N 440.571 5.115 30 10 IKEE Cc1cc(C)c([C@H](C(C)C)n2nc(C3CC3)c(C#N)c2I)cc1C 2078978753 ARCUWQYTGKVHKW-IBGZPJMESA-N 433.337 5.407 30 10 IKEE CC(C)c1nn(Cc2cc(F)cc(C(F)(F)F)c2)c(C(F)(F)F)c1Br 2079041388 UOGKHSFIVYZRTG-UHFFFAOYSA-N 433.165 5.994 30 10 IKEE CC[C@@H](c1ccc(C)cc1F)n1nc(C(C)(C)C)c(C#N)c1I 2079101145 BIEPSEWCAPOBFH-HNNXBMFYSA-N 425.289 5.104 30 10 IKEE Cc1nn([C@H](c2ccc(C(F)(F)F)c(F)c2)C2(C)CC2)c(Br)c1C=NO 2079950468 FVNUBYFHGAAROT-CQSZACIVSA-N 434.231 5.310 30 10 IKEE CCC1(CC)CNC(=NCc2scc(Br)c2Br)SC1 2094176840 HJZYUXYCACUTLC-UHFFFAOYSA-N 426.243 5.272 30 10 IKEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(Br)ccc(Cl)c1F 2098958911 LBTHRFQCEMJITI-WMLDXEAASA-N 447.776 5.199 30 10 IKEE C=CCN(CC[C@H](NCC)c1ccc(Br)c(F)c1F)C(=O)OC(C)(C)C 2099294068 AMYNXVUKJDTOCV-HNNXBMFYSA-N 433.337 5.191 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)cccc1Br 2116846035 WOMPISGLQCFDHV-SJLPKXTDSA-N 429.374 5.488 30 10 IKEE CC(C)C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)Nc1ccccc1Br 2149844332 RUNMHIKZZKLWLD-HRAATJIYSA-N 436.394 5.426 30 10 IKEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(Nc2cc(Br)cc(F)c2C#N)cc1 2163688923 YEEUIDSVWSDTIE-GFCCVEGCSA-N 434.309 5.789 30 10 IKEE CN(c1cc(Br)ccc1C#N)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1 2197459551 SJYYISTVDFZCAA-LJQANCHMSA-N 430.346 5.023 30 10 IKEE CN[C@@H](C#Cc1ccc(Cl)cc1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2212497911 JCRPDLCOSRNEEJ-HSZRJFAPSA-N 426.988 5.497 30 10 IKEE C=CCCCCCCC[C@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCC 2220088338 UYMCVHXKZDIKJX-JWQCQUIFSA-N 446.676 6.381 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NC)c2sc(C)c(C)c2Br)C1 2221827358 AMJCISOJLMUFFH-INIZCTEOSA-N 429.424 5.249 30 10 IKEE CCCC#C[C@H](NCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2225462062 UYWWNDQZEXWMME-WNJJXGMVSA-N 443.587 5.660 30 10 IKEE Cc1cccc2c1CC[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2240133494 PTQVWFBMJHCJEB-QFIPXVFZSA-N 427.342 5.864 30 10 IKEE C=CCCCCCC[C@H](OCCN)c1scc(Br)c1Br 2292791354 QNNRWFHILKNCDA-ZDUSSCGKSA-N 425.230 5.816 30 10 IKEE C=CCc1cc(C=C2SC(=Nc3ccccc3)N(Cc3ccco3)C2=O)cc(OC)c1O 2293682653 YSLXPAUGCBPIFW-UHFFFAOYSA-N 446.528 5.527 30 10 IKEE Oc1ccccc1C=N[C@@H]1c2ccccc2O[C@]2(N=Cc3ccccc3O)CCCC[C@@H]12 2296680747 PPJFANUQDXSZTQ-ZDJNHPEVSA-N 426.516 5.656 30 10 IKEE COc1ccc2c(c1)C1=NN(C(C)=CC(C)=O)[C@@H](c3ccc(Br)cc3)[C@@H]1CC2 2297320965 WORYLAZEPKLIAL-OFNKIYASSA-N 439.353 5.274 30 10 IKEE O=[N+]([O-])c1ccc2c(C=Nc3ccc(O)c(-c4nc5ccccc5o4)c3)c(O)ccc2c1 2297708146 IVWYMGBDTDXPJO-UHFFFAOYSA-N 425.400 5.718 30 10 IKEE Cc1cc(C)cc(CN=C2NC(=O)C(=Cc3cc(C)n(-c4cc(C)cc(C)c4)c3C)S2)c1 2313511015 IXBAABFMAYLEHK-UHFFFAOYSA-N 443.616 6.088 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1N=Cc1ccc[nH]1 2321371048 KQNUUQZGBPMEEA-UHFFFAOYSA-N 436.368 5.085 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCc4ccc(Cl)cc4)c3C)C2=O)c(OC)c1 2321766796 DUWFOVBDJLITOY-UHFFFAOYSA-N 436.891 5.861 30 10 IKEE Cc1cc(OCc2ccccc2F)cc2c1C(=O)C(=Cc1cccc(Br)c1)O2 2321794205 HGBVXMQNUJMHKU-UHFFFAOYSA-N 439.280 6.092 30 10 IKEE CCCCCCCCCOc1ccc(C=Nn2c(S)nnc2C(C)(C)C)cc1Cl 2321908533 CDECWVYZISXKEJ-UHFFFAOYSA-N 437.053 6.529 30 10 IKEE COc1ccc(CN2COc3cc(C)c4c(c3C2)OC(=Cc2ccc(Cl)cc2)C4=O)cc1 2321950382 JZJWMVGXPMHFGE-UHFFFAOYSA-N 447.918 5.625 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(S)nnc2CCCOc2ccccc2Cl)cc1 2322234875 RQZAZIISGCCRQX-UHFFFAOYSA-N 428.989 5.412 30 10 IKEE O=C(C=Cc1ccccc1OCc1c(Cl)cccc1Cl)c1ccc2c(c1)CCCC2 2322328579 YQUVAHITXKIFSD-UHFFFAOYSA-N 437.366 7.347 30 10 IKEE CCOc1ccc(C=C2Oc3c(cc4c(c3C)OCN(C3CCCCCCC3)C4)C2=O)cc1 2322415195 NIKSFQHTPYDPGC-UHFFFAOYSA-N 447.575 6.275 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(Br)ccc2OCC)cc1OCCC 2322502670 GGOXPAGWSSPZKK-UHFFFAOYSA-N 447.369 6.322 30 10 IKEE Cc1cc(OC(=O)Cc2cccs2)cc2c1C(=O)C(=Cc1cn(C)c3ccccc13)O2 2322867179 GJYOPPFNNIJMHB-UHFFFAOYSA-N 429.497 5.313 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccc(F)cc2)cc1C 2322981337 STNQTVOUOORZRL-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3ccc(C)cc3)c2)cc1 2323157906 YJSHOUCKAOWAJJ-UHFFFAOYSA-N 429.516 5.697 30 10 IKEE Cc1cc(OC(=O)C=Cc2ccco2)cc2c1C(=O)C(=Cc1cn(C)c3ccccc13)O2 2323163778 SJMLOGAPHNEWNO-UHFFFAOYSA-N 425.440 5.315 30 10 IKEE CCCN(CCC)C(=O)COc1cccc(C=CC(=O)c2cc(C)c(Cl)cc2OC)c1 2323289156 CKTPGYODXNCTPM-UHFFFAOYSA-N 443.971 5.581 30 10 IKEE Cc1cc(OC(=O)Cc2cccc3ccccc23)cc2c1C(=O)C(=Cc1cccs1)O2 2323399729 PRFAQEZQWNZMEJ-UHFFFAOYSA-N 426.493 5.974 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2)Oc2cc(OC(=O)c3cccc4ccccc34)ccc21 2323472495 CSHQLYRCDTZPDJ-UHFFFAOYSA-N 426.855 6.329 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)ccc1OCCc1ccccc1 2323532594 TWXGUEJMYWRCQD-UHFFFAOYSA-N 427.327 6.520 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2323628033 DSGQZSNCQCAMAL-UHFFFAOYSA-N 448.858 5.409 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCc3nc(O)c4ccccc4n3)c(Cl)c2)c(C)c1 2323854585 YGJUVXZWTDZGEV-UHFFFAOYSA-N 444.918 6.081 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)C=Cc1ccc(OCC)c(OC)c1 2323888923 RZXYZJGRQXWESQ-JOCHJYFZSA-N 446.632 5.259 30 10 IKEE CC(C)COC(=O)COc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1Cl 2324059102 VKCYVIRXUKRNQA-UHFFFAOYSA-N 428.956 6.112 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)cc2)c1 2324332628 AITIWCYIZPLYSE-UHFFFAOYSA-N 427.544 6.142 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O 2324335668 ZZHYQXZVBBLMFE-KRWDZBQOSA-N 445.490 5.719 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4cccc(C)c4C)cc(C)c3C2=O)cc1 2324499085 YDRHVPZQOMUSFW-HXUWFJFHSA-N 441.527 5.942 30 10 IKEE COc1ccc(C)cc1-c1csc([C@H](C#N)C(=O)C=Cc2ccc(Cl)cc2Cl)n1 2324572420 CGPQOXYQJVDHQU-QGZVFWFLSA-N 443.355 6.324 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCc4ccc(C(=O)OC(C)C)cc4)ccc3C2=O)cc1 2324605319 GIMSFWJFAJYGMC-UHFFFAOYSA-N 442.511 6.009 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)OCC(C)C)c(Cl)c2)cc1Cl 2324609767 CPIBONRELMSQCT-UHFFFAOYSA-N 437.319 5.476 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1C 2324649223 KLQYMHOIZKDKGQ-UHFFFAOYSA-N 447.487 5.704 30 10 IKEE COc1cc(C=C2Oc3c(ccc(OCc4ccccc4)c3C)C2=O)cc(OC)c1OC 2324840867 MRADXEMKCYEHQY-UHFFFAOYSA-N 432.472 5.216 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2F)C3=O)c(C)c1 2324892459 ZFEQYZHQTSFCRN-UHFFFAOYSA-N 431.463 5.385 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1ccc2c(c1)OC(=Cc1ccc(CC)cc1)C2=O 2325092635 CENJUXNCNPSRKY-QHCPKHFHSA-N 436.548 6.146 30 10 IKEE Cc1c(OCc2cccc3ccccc23)ccc2c1OC(=Cc1ccc(N(C)C)cc1)C2=O 2325279402 MFEHLANAGPNOQO-UHFFFAOYSA-N 435.523 6.409 30 10 IKEE Cc1ccc(CCOc2ccc3c(c2)OC(=Cc2ccc(-c4ccccc4)cc2)C3=O)cc1 2325367182 HZWGFZMLHKWSBW-UHFFFAOYSA-N 432.519 6.900 30 10 IKEE CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2cccs2)C3=O)cc1 2325427036 FSUHVSYMUPZWIA-MRXNPFEDSA-N 447.512 5.281 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(Cl)c(Cl)c1 2325521888 ABQGIKYOEGMSHS-UHFFFAOYSA-N 437.371 6.241 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2cccc(C=CC(=O)c3ccccc3Cl)c2)c1 2325717621 ZEWPXTFFTYGKEB-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2OC)cc1OC(=O)Cc1ccccc1Cl 2325722810 CUOFLYKAOBNPSN-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE Cc1ccc(C)c(OCC(=O)Oc2cccc(C=CC(=O)c3ccc(F)cc3F)c2)c1C 2325726024 QSWNTHGTZIZTBH-UHFFFAOYSA-N 436.454 5.771 30 10 IKEE COc1ccccc1OCC(=O)Oc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC 2325735440 HPLNFNWOWRZKHU-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE COc1ccc(CCC(=O)Oc2cc(C=CC(=O)c3ccc(C)cc3C)ccc2OC)cc1 2325735569 BFGZSCWGQAPYEL-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE Cc1c(OCC(=O)Nc2ccccc2)ccc2c1OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2325740212 KRMRWIZHJVRHCH-UHFFFAOYSA-N 441.527 5.926 30 10 IKEE CCc1ccc(CCC(=O)Oc2cccc(C=CC(=O)c3cc(C)ccc3OC)c2)cc1 2325743549 BJMQBOURQGBUJT-UHFFFAOYSA-N 428.528 6.000 30 10 IKEE CCCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccccc1OC(C)C 2327778696 FYFUURIGEGYFER-UHFFFAOYSA-N 444.604 6.194 30 10 IKEE C=CCN(CC=C)C(=O)CC1=C(C)C(=Cc2ccc([S@](C)=O)cc2)c2ccc(F)cc21 2328686081 ICKJCSYQUJCDCB-HKBQPEDESA-N 435.564 5.482 30 10 IKEE CSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1cc(Br)ccc1F 2328920864 PDNCYZLGBJWKSU-UHFFFAOYSA-N 447.377 5.186 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc(OCCC)cc1 2329101031 MRDDZTVTRBXQCW-UHFFFAOYSA-N 441.000 5.862 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1ccc(N(CC)CC)cc1 2329420222 XZTDLOGOYZMCBP-UHFFFAOYSA-N 447.652 5.882 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2)n1N=Cc1ccccc1Cl 2329486421 FXBHZBHDGJMMFN-UHFFFAOYSA-N 447.007 6.200 30 10 IKEE CC(C)c1ccc(C=Nn2c(CCc3cccs3)nnc2SCc2ccccc2)cc1 2329663490 IQCDKRLHMPSGFA-UHFFFAOYSA-N 446.645 6.423 30 10 IKEE Clc1cccc(CSc2nnc(CCc3cccs3)n2N=Cc2ccco2)c1 2329687559 WNSYXXQCXDONSS-UHFFFAOYSA-N 428.970 5.546 30 10 IKEE COc1cccc(C=Nn2c(Cc3ccc(C)cc3)nnc2SCc2ccccc2)c1 2329992598 NQYSHFCBFUKJMB-UHFFFAOYSA-N 428.561 5.360 30 10 IKEE CCCCCOc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCC)cc1OC 2330476771 IKBBPRWUIHQEPQ-UHFFFAOYSA-N 438.597 5.441 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)c1 2330625311 YTHRLLZQFPJMET-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)C(c3ccccc3)c3ccccc3)cc2)cc1 2330740723 LVIZHTGCAAKUTF-UHFFFAOYSA-N 446.546 6.883 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccccc1C 2330824037 PFYNXVDASZPQQU-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1 2330910401 YMZWZIXNQZMTSH-UHFFFAOYSA-N 426.899 6.537 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2Cl)cc(OC)c1OC(=O)CCCCCC 2330949111 MCKFINKVMPEGGG-UHFFFAOYSA-N 440.967 6.849 30 10 IKEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)CSc1ccccc1 2331049493 IGXIXCGQWDCZRB-UHFFFAOYSA-N 449.484 5.197 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCCC3)n2N=Cc2ccc(C(C)C)cc2)c1 2331076205 RAGWDFKPWRFFPU-UHFFFAOYSA-N 432.637 6.850 30 10 IKEE Oc1cccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C2CCCC2)c1 2331104389 ZFKGMDMAHSAMGU-UHFFFAOYSA-N 430.936 5.608 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OC(=O)CCc1ccccc1C 2331132554 YCVFFESBOCWZSO-UHFFFAOYSA-N 448.946 6.481 30 10 IKEE Cc1cccc(C=Nn2c(SCC(=O)Nc3cc(C)ccc3C)nnc2-c2ccco2)c1 2331170334 ZKAFWLGNTNPPIX-UHFFFAOYSA-N 445.548 5.076 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Br)c(OC(=O)CC)c(OCC)c2)cc1 2331210439 FLVODYZDIMACJC-UHFFFAOYSA-N 447.325 5.458 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3Cl)c(Cl)c2)c(C)c1 2331222350 JEPLTNJAEKMXSB-UHFFFAOYSA-N 439.338 6.654 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(C)cc2)cc1OCC 2331279010 YJCXURASCOHBKJ-UHFFFAOYSA-N 428.956 6.819 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)c1c(F)cccc1Cl 2331330862 LOEITROGCNMEJU-UHFFFAOYSA-N 438.882 6.220 30 10 IKEE COc1cc(C=Nn2c(SCc3ccccc3C)nnc2C(C)(C)C)cc(Cl)c1O 2331364456 FCNNMBUQYQJHDV-UHFFFAOYSA-N 444.988 5.426 30 10 IKEE COc1ccccc1C=Nn1c(SCc2ccc(Cl)c(Cl)c2)nnc1C(C)(C)C 2331410877 MYAGNYRFPQDZDT-UHFFFAOYSA-N 449.407 6.066 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)CCCSC 2331429454 XYDVYZKEKPAEQZ-UHFFFAOYSA-N 440.605 6.328 30 10 IKEE CCc1ccc(C=Nn2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2C2CCC2)cc1 2331488532 CJEYZKXAPDFJCX-UHFFFAOYSA-N 447.608 5.338 30 10 IKEE CCCSc1nnc(COC)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2331592631 KCYBMGBLJAKIJX-UHFFFAOYSA-N 430.961 5.041 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OC(=O)CCc3ccc(Cl)cc3)cc2)c1C 2331644525 GQAISWZOPATONW-UHFFFAOYSA-N 446.974 7.008 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)c1cnc(C)cn1 2331709935 IRMLPFGTNZSZOM-UHFFFAOYSA-N 442.515 5.254 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 2331779992 NHUNERVUCOXQEI-UHFFFAOYSA-N 445.471 5.644 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)c1ccccn1 2331801282 YPLBLANFKYWTHE-UHFFFAOYSA-N 443.543 6.202 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Br)cc(OC2CC2)c1 2362725463 RMWHEGQLAUTVLD-OALUTQOASA-N 439.394 5.110 30 10 IKEE COc1ccc(C(=O)C[C@@H]2S/C(=N\c3cccc(C)c3)N(c3cccc(C)c3)C2=O)cc1 15055214 ZSJQBFVSEIWLAF-QWEPBSKHSA-N 444.556 5.721 30 10 IKEE CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2F)cc1 21226744 GMKROOPHKSQSFC-HMILPKGGSA-N 440.562 7.103 30 10 IKEE CC(C)Oc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)c(Cl)c2)cc1 21252097 YYVXDKJUOYZTBC-AEFFLSMTSA-N 444.358 5.785 30 10 IKEE CC(C)COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc3ccccc3c2)cc1 21252387 MJBVACDQQVSYAQ-NOZRDPDXSA-N 439.555 5.879 30 10 IKEE CCc1ccccc1N/C(=N\C(=O)c1ccc(C)c(F)c1)NCCc1c[nH]c2ccccc12 32943391 KWINFKLMRDAVAW-UHFFFAOYSA-N 442.538 5.618 30 10 IKEE Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C\c1ccc2c(c1)OCO2 33385550 ALOTVNMXXHAMKK-XFFZJAGNSA-N 427.887 6.488 30 10 IKEE C=CCN1C(=O)c2[nH]nc(-c3cc(Cl)ccc3O)c2[C@H]1c1ccc(OCCCC)cc1 39898655 NAGNUUFTJNAMGS-HSZRJFAPSA-N 437.927 5.346 30 10 IKEE C=C(C)C(=O)N[C@H](C)c1nc2ccccc2n1CCCOc1ccc(/C=C/C)cc1OC 40191143 BWHJSBDYVPIWEV-ZAOIQFLMSA-N 433.552 5.300 30 10 IKEE C=CCn1c(CCCCCNC(=O)c2ccc(Br)cc2)nc2ccccc21 40214343 YQNWOASIDXWNJQ-UHFFFAOYSA-N 426.358 5.128 30 10 IKEE Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1/C(=N/Nc1ccc(F)cc1)CCC2 40823860 MUHIXYSHDGDZPB-JBASAIQMSA-N 427.479 6.285 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1cc(C)c2c(c1)O/C(=C\c1sccc1C)C2=O 41290105 CSYPDAYLWYQTPP-UNOMPAQXSA-N 436.485 5.218 30 10 IKEE CCCCCCCCCCCCCCCCCCCOC(=O)/C=C/c1ccc(O)cc1 85910683 YRZPBBONRLDKQD-DARPEHSRSA-N 430.673 8.600 30 10 IKEE N#Cc1c(NC(=O)Cn2ccc3c(OCc4ccccc4)cccc32)sc2c1CCC2 96777805 NVBRPBVXICBCEO-UHFFFAOYSA-N 427.529 5.281 30 10 IKEE COc1cc(C(=O)/C(=C/C=C\c2ccco2)c2nc3ccccc3o2)cc(OC)c1OC 97514603 GBPHLLURRLRNOG-IRQOAWMQSA-N 431.444 5.426 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2 100358833 LMUCTJPXITUQHT-HHJKRLRDSA-N 430.419 8.169 30 10 IKEE CCCCCCCCCn1c(CCNC(=O)COc2cc(C)ccc2C)nc2ccccc21 102142226 NKLJHAWNGSSIOX-UHFFFAOYSA-N 449.639 6.141 30 10 IKEE Cc1cc(C)c2nc(N3C(=O)C(=O)/C(=C(\O)c4ccco4)[C@@H]3c3ccccc3F)sc2c1 102532711 AATNAHBSEMHYAL-HUZQBFDWSA-N 448.475 5.272 30 10 IKEE Cc1cc(/C=C2/CC/C(=C\c3cc(C)n(-c4ccccc4)c3C)C2=O)c(C)n1-c1ccccc1 104376434 RPBOEZYGGFKWQO-GAHATOAQSA-N 446.594 7.332 30 10 IKEE C=CCN(Cc1ccccc1F)C(=O)/C=C/c1csc(N(C(C)=O)c2ccccc2)n1 108435352 UEMZFIIEXBCEHQ-BUHFOSPRSA-N 435.524 5.195 30 10 IKEE COc1ccc(NC(=S)N/N=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 108786783 MFQMBPDSNLOOMZ-YSMPRRRNSA-N 445.523 5.008 30 10 IKEE COc1cc(/C=N\Nc2nc3ccccc3[nH]2)cc([N+](=O)[O-])c1OCc1cc(C)ccc1C 169900013 RSTRPWVQKDOZGY-MXAYSNPKSA-N 445.479 5.122 30 10 IKEE CSc1nnc(Cc2ccccc2)n1/N=C\c1cc(Cl)c(OC(C)C)c(Cl)c1 169916166 XZWHBZSYCSLXTO-FMCGGJTJSA-N 435.380 5.567 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 169925487 KPRJMGHGFXAVBC-SANMLTNESA-N 449.506 5.940 30 10 IKEE CCCN1C(=S)N[C@@H](c2cccc(Oc3ccccc3)c2)C(C(=O)c2ccccc2)=C1C 169928908 JVAIJFAPCBZLSS-VWLOTQADSA-N 442.584 6.277 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2cc(C)cc(C)c2)c1 169930082 GFTSSEZOIQEYRR-XMMPIXPASA-N 445.490 5.542 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2ccc(N(C)C)cc2)cc1 169953682 WFKKHVYYVOXPNP-RUZDIDTESA-N 440.543 5.461 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccc(O)cc1)c1ccc(Cl)cc1 169961739 SEYWOQUZQDFGNS-HXUWFJFHSA-N 440.282 5.482 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc(C)c2)cc1 169969402 VTBCSSDURIQWCZ-HSZRJFAPSA-N 447.918 5.830 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc(C)c1 169970522 MQZALCUDHDYMBT-AREMUKBSSA-N 449.506 5.940 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccs1 169984657 AVAXDTYIMHAMDS-IBGZPJMESA-N 444.339 6.146 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccncc2)ccc1F 170016579 LDAYQCQNXQNTTA-HSZRJFAPSA-N 430.479 5.435 30 10 IKEE CCCCCCCCN1C(=O)C(c2cccs2)=C(N(CC)CCc2ccncc2)C1=O 170018370 JNIULBOHNUOYDE-UHFFFAOYSA-N 439.625 5.148 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2ccncc2)cc1C 170019347 UWJGKRLPYUOOJO-JOCHJYFZSA-N 432.907 5.443 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCCC2)c1 170039283 SBPSAGWNYNBTMI-JOCHJYFZSA-N 439.939 5.650 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2c[nH]c3ccccc23)c1 170074443 XQKSWHBWTKMBKI-QHCPKHFHSA-N 426.447 5.398 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)[C@@H]2c2ccco2)c1 170094886 WURWFVMYKPBXFR-HSZRJFAPSA-N 447.487 5.248 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2ccccc2)c1 170118130 RYCKUOKARFBMCT-VWLOTQADSA-N 435.479 5.631 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1cccs1 170165748 OQSLYUWUMDVXSE-NRFANRHFSA-N 427.566 5.612 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(OCC)cc1 170214330 HKFKFZANHRTLNJ-QHCPKHFHSA-N 433.504 5.600 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccccc2)cc1C 170225959 ICNHXNGXZOXMHX-RUZDIDTESA-N 441.527 5.793 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(Cl)cc1 170235741 GWKKULYLFCZYRK-JOCHJYFZSA-N 435.907 5.108 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(F)cc1)c1ccc2c(c1)CCCC2 170239513 HKWILDHLHZWBMO-DEOSSOPVSA-N 427.475 5.487 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 170246568 BWPHZTFSTDXFOH-IBGZPJMESA-N 434.319 5.380 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccc2F)cc1 170247907 IPXBTVFRSAESCF-JOCHJYFZSA-N 435.426 5.146 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2C2CCCCC2)cc1 170266494 JSGRTAVBZBVMBY-XMMPIXPASA-N 433.548 5.477 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@@H]1c1ccc(CC)cc1 170267574 DHSFDGWMBOHDKM-NRFANRHFSA-N 427.928 5.289 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1c1ccccc1O 170271776 BDMMZEXQZQECCR-RUZDIDTESA-N 439.511 5.362 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)[C@@H]2c2ccco2)c1 170289182 YGYMQKPDLNCMDF-NRFANRHFSA-N 449.846 5.476 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccco2)c(OCC)c1 170290063 VLZMRQWDQNPPKC-HSZRJFAPSA-N 447.487 5.168 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C(C)(C)C)ccc3C)[C@H]2c2ccc(C)o2)c1 170300465 TZFNDIRYVWBDJO-XMMPIXPASA-N 443.543 6.285 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cn(C)c3ccccc23)cc1C 170395283 LZPJSUPPSDBYEP-HSZRJFAPSA-N 442.540 5.640 30 10 IKEE CC(=O)Oc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(C)cc(C)c2)cc1 170406745 SNWRRWAQWNEJRN-DEOSSOPVSA-N 441.483 5.012 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@H]1c1ccc(C(C)(C)C)cc1 170467725 VRASYQLOIAXRTR-NRFANRHFSA-N 435.520 5.228 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2cccc(OC(C)C)c2)cc1 170475270 RZTWWNJHLLPGHB-QFIPXVFZSA-N 437.536 5.388 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1cc(CC(=O)O)ccc1O 170502054 YJNVIPQIEBIYPA-UHFFFAOYSA-N 433.633 7.219 30 10 IKEE Cc1cc(C)c2nc(-n3ncc(C#N)c3Nc3nnc(-c4cccs4)s3)cc(C)c2c1 170547202 ALUROJOQCSVLOO-UHFFFAOYSA-N 443.561 5.541 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 226843735 ASJJSQLKZJXIRK-RNHFSVANSA-N 430.419 8.169 30 10 IKEE Cc1cccc(C)c1NC(=O)CSc1nc2ccc(N=Cc3ccc(F)cc3)cc2s1 254371993 MACBUBYXLZAEDI-UHFFFAOYSA-N 449.576 6.534 30 10 IKEE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3C(=N[N+](=O)[O-])C[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]12C 254789621 VIIVBTDLDAKMPX-XYZNEWTFSA-N 430.677 7.740 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(/C=C/C(=O)Cc2ccc(F)c(Br)c2)cc1 405934179 OJEVUFJSLXWTGF-UXBLZVDNSA-N 434.305 5.760 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)cc1F)NCCC 406900020 SWVVUVSTSDZUOS-OALUTQOASA-N 443.401 5.358 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(C)cc2)cc1OC 526604059 FTKOOZWBNBJCDP-VWLOTQADSA-N 440.499 5.331 30 10 IKEE COc1cc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(C)c2)cc(Cl)c1O 526774286 ZEZIYKUTHHUKLV-NRFANRHFSA-N 449.890 5.146 30 10 IKEE CCOc1cc(/C=N\n2cnnc2SCc2ccccc2)cc(Cl)c1OC(C)C 526801017 XFUQIIVNMKMWRT-MSXFZWOLSA-N 430.961 5.292 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1ccc(Cl)cc1Cl 526803358 WOANRFDXWXPCQJ-MSXFZWOLSA-N 437.371 6.241 30 10 IKEE CCOc1c(Cl)cc(/C=N\n2c(C)nnc2SCc2cccc(C)c2)cc1OC 526808438 UYCWZEZYMCOKRG-FMCGGJTJSA-N 430.961 5.130 30 10 IKEE CCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1ccc(C(F)(F)F)cc1 526829157 UVHSBFFARLSOJP-MSXFZWOLSA-N 449.458 5.332 30 10 IKEE CCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1c(C)n(C)c2ccccc12 526829176 VLQVUUWEMLXWIC-OYKKKHCWSA-N 448.552 5.113 30 10 IKEE C[C@H](c1ccccc1)N(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586143439 FDYRXBAWFQBENZ-HXUWFJFHSA-N 432.589 5.808 30 10 IKEE C=CCCC[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCC 686831482 XCRRJRFCTNUTSZ-QHCPKHFHSA-N 429.649 5.270 30 10 IKEE COc1nsc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)c1Br 690150848 JOTWMJBOUUQRFN-LBPRGKRZSA-N 442.310 5.060 30 10 IKEE C#Cc1ccc2c(c1)[C@H]1c3ccc(Br)cc3[C@H]2c2ccc(Br)cc21 1082505363 NCNCBWWWCYSBDA-FGZHOGPDSA-N 436.146 6.180 30 10 IKEE CCOc1ccc(C=Nc2c(-c3ccccc3)c(-c3ccccc3)nn2-c2ccccc2)cc1 1084084667 RFEGRZVNCXNHHS-UHFFFAOYSA-N 443.550 7.356 30 10 IKEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)Cc1ccc(C)s1 1286670928 PGPWOYVKPKLMHZ-UHFFFAOYSA-N 448.596 5.203 30 10 IKEE C=CC(C)(C)CNC(=O)[C@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 1436237983 QGCUCPDFOLRXMG-AWEZNQCLSA-N 427.595 5.014 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=Nc1nc(C)cs1 1772737003 VVUFHMFGCIFWPN-NFFGIOBBSA-N 440.506 5.244 30 10 IKEE Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N\NC(=S)Nc2ccc(F)cc2)cc1C 1857810996 GVDWORDYMYYKQT-DICXZTSXSA-N 443.551 5.616 30 10 IKEE Cc1nc(=Nc2scc(C(C)(C)C)c2C#N)c2c(C)c(C(=O)OCC(C)C)sc2[nH]1 1860401155 CHWYKHJKSOMNQT-UHFFFAOYSA-N 442.610 5.517 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)/C=C/c1ccc(Cl)cc1)[C@H](C)CC 1861107276 UJFMQIXNNWEZCN-GMCFHCHNSA-N 435.052 6.141 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(C)cc2)cc1 1862389318 CUOLRXKJEXHPJM-UPVQGACJSA-N 433.548 5.095 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 1862393822 DQDISKBNQWAVOM-FQEVSTJZSA-N 432.347 5.934 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CCCCCC2)c1 1862413112 WBFKOTAIARZFBY-JOCHJYFZSA-N 425.475 5.574 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(CC)cc1 1862431982 STUALCCZSURSKN-JOCHJYFZSA-N 425.956 6.061 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1c(F)cccc1Cl)c1ccccc1Cl 1862435068 NOADPWNMDSNYNT-IBGZPJMESA-N 434.294 5.653 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccc(O)cc1)c1cccc(Cl)c1 1862444181 XHEDUHNDXSRICC-OAQYLSRUSA-N 425.912 5.347 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2cccc(Cl)c2)ccc1F 1862502796 JDVBFGQPHQEBEO-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 1862538070 COZPVJSDERIHGA-VLIAUNLRSA-N 431.454 5.645 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(F)cc1F 1862545601 DSOGSDPOXJMCBF-QHCPKHFHSA-N 439.502 5.612 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@H]1c1cccc(Cl)c1)c1cccc(O)c1 1862592001 SUOOMECIIFHCJG-QHCPKHFHSA-N 447.918 5.257 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(F)cc2)cc1 1862662099 HLBUMIMIDPDWTH-QHCPKHFHSA-N 430.479 5.123 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862691184 IXVPLAHIQHNDOW-DEOSSOPVSA-N 444.531 5.478 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc3ccccc23)cc1 1862692417 LPRGJWISNRZVFJ-XMMPIXPASA-N 427.500 5.369 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccc(C)cc2)c1 1862698126 AKUXSQRJYNUJPX-MHECFPHRSA-N 427.500 5.343 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2Cc2ccc(C)cc2)cc1 1862703315 UJALMMZYTYQRPD-VWLOTQADSA-N 441.527 5.345 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1c(F)cccc1Cl 1862737526 IHFBBANAJJUHJT-IBGZPJMESA-N 446.862 5.156 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 1862749074 PSYAXFJURWFBAC-NRFANRHFSA-N 438.455 5.035 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2C)=C(c2ccc(OCCC)cc2)C1=O 1863343569 DRHYFDNROWMZHP-UHFFFAOYSA-N 448.607 6.336 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Br)c(C)c2C)=C(c2ccccc2Cl)C1=O 1863450711 LGVCNCHWCDVRPM-UHFFFAOYSA-N 445.744 5.097 30 10 IKEE Cc1ccc([C@@H](C#N)NC(=O)[C@H](NC(=O)c2cccc3ccccc23)c2ccccc2)cc1 1867664190 IHTLXGUGOMTLTC-CLJLJLNGSA-N 433.511 5.000 30 10 IKEE CC(C)c1nc(Nc2cccc(C#N)c2)cc(N2CCC[C@@H]2c2nc3c([nH]2)CCCC3)n1 1868221097 DXWRNMDPYSZLPT-OAQYLSRUSA-N 427.556 5.159 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC(Oc3cccc(Cl)c3)CC2)nc(CCC)n1 1869219218 QIVSPNCXCGPJJE-UHFFFAOYSA-N 426.992 5.309 30 10 IKEE CCCCCCCOc1cn(CCCN(CC)CC)c(CN(CCC)CCCC)cc1=O 1870411654 IUXSQDJWAAIOJV-UHFFFAOYSA-N 449.724 5.942 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2c(F)cccc2Cl)cn1CCCCCC 1870638159 NSIIQZDFGJQTEQ-UHFFFAOYSA-N 446.994 5.974 30 10 IKEE CCCCCCCOc1cn(CC(C)C)c(CNc2ccc(NC(C)=O)cc2)cc1=O 1870832566 ZTUOMNCLVGHUSF-UHFFFAOYSA-N 427.589 5.424 30 10 IKEE C[C@@H]1CCCC[C@H]1N1COc2ccc3c(c2C1)O/C(=C\c1c(F)cccc1Cl)C3=O 1871350724 RFHOCYFKQFJPEM-DDNFXEDJSA-N 427.903 5.826 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OC(=O)CCc4ccc(Cl)cc4)c3C)C2=O)c1 1871368872 SQTJCFWCDDXUCG-HAHDFKILSA-N 432.903 6.111 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2C)C1=O 1871371167 QNDMKVUAGLIPKB-HMAPJEAMSA-N 445.427 5.137 30 10 IKEE Cc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1C 1871372408 PVVKVVNCOPQQIK-QFEZKATASA-N 426.512 6.571 30 10 IKEE COc1ccc(OC)c(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(C)c2)C3=O)c1 1871380233 DMCNSXGUENGOPA-FHCMCQOFSA-N 442.467 5.247 30 10 IKEE Cc1cc(OC(=O)c2ccc(/C=C/C(=O)O)cc2)cc2c1C(=O)/C(=C/c1cccc(F)c1)O2 1871381938 JYFDIMAXLZFYPC-JEUHMODBSA-N 444.414 5.067 30 10 IKEE Cc1c(OCCOc2ccccc2)ccc2c1O/C(=C\c1ccc(Cl)cc1Cl)C2=O 1871397285 JUJRGHJOUVTPBV-XKZIYDEJSA-N 441.310 6.376 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(O[C@@H](C)C(=O)Nc3ccc(F)cc3)cc(C)c2C1=O 1871403343 VXBFFOJBVSHKCK-DKNZLLBESA-N 437.492 5.526 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4cccc(Cl)c4C)ccc3C2=O)cc1 1871407835 SKFYWJQVSVLCSW-GHRPQRKGSA-N 447.918 5.979 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2sccc2C)C3=O)cc1 1871409191 ZGAVHQHGYCOTEB-OJSPLJLUSA-N 433.529 5.696 30 10 IKEE C[C@H](Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O)C(=O)Nc1ccc(Cl)cc1 1871415118 SZBCWVPRNJYRTL-ZDXHCBJDSA-N 437.854 5.501 30 10 IKEE CCCCCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O 1871426884 BMBSRIJRZHJGMV-NDENLUEZSA-N 445.309 5.178 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(F)cc4)cc(C)c3C2=O)cc1 1871456804 XVCMFTLHECIUII-QRVIBDJDSA-N 447.462 5.167 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)CCCC 1871819230 GUVIOCDWODDAID-HSZRJFAPSA-N 436.662 5.390 30 10 IKEE CCc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)n2)cc1 1872761401 MMLXEXIATGJNKC-BLRBJFNZSA-N 448.544 5.288 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(Cl)cc3Cl)n2)cc1C 1872765441 OWWJDLZLHFUDJT-HNNXBMFYSA-N 447.343 5.689 30 10 IKEE CC(C)c1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccc(Cl)cc3)n2)cc1 1872776043 HEEXZLRHBDTCAK-NRFANRHFSA-N 438.980 6.622 30 10 IKEE C=CCOc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)s2)cs1 1872789488 KLZOMYPAIBFERY-CYBMUJFWSA-N 430.938 5.345 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(Nc2ccccc2C#N)=C(c2cccc(OC)c2)C1=O 1873214275 DBWVTJIOAJGKGF-HXUWFJFHSA-N 431.536 5.118 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C#N)c2)=C(c2cccc(OC)c2)C1=O 1873218333 IIZPMKMFYRTJOF-UHFFFAOYSA-N 431.536 5.119 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(N(CC)CC)cc2C)cc2c(NCC(C)C)ncnc21 1873602814 OOHWBBBVGZFKSZ-UHFFFAOYSA-N 434.588 5.092 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1cc(C)cc(C)c1)n2CCCC 1873620996 FRJYWRGYQUPYBL-UHFFFAOYSA-N 449.643 6.873 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)c(Cl)c2)cc2c(NCc3ccccc3F)ncnc21 1873637406 YCAZAOPBXXWQJD-UHFFFAOYSA-N 449.917 5.583 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1/N=C/c1ccco1 1874196328 CXMWOFPGPRKSTQ-ZMOGYAJESA-N 440.569 5.307 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1cccc(C)c1 1874212754 CQMPGASEJBWZTR-MFKUBSTISA-N 441.000 5.802 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CC34CC5CC(CC(C5)C3)C4)nnc2SC)cc1 1874241855 BQEXBLJDKNOWFS-YZSQISJMSA-N 438.641 5.820 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1ccc(Cl)cc1 1874320432 QPUMSJFOACMZFX-WYMPLXKRSA-N 426.973 5.678 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccccc1OC(C)C 1874342304 JTBLNWQBVRCBDV-AFUMVMLFSA-N 441.000 5.860 30 10 IKEE Clc1ccccc1CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccco1 1874365743 RVAGIJBAJWQVAW-FSJBWODESA-N 429.332 6.019 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2Cl)c(O)c1 1874367228 RTOSADIEKHVMDK-ZMOGYAJESA-N 436.924 5.184 30 10 IKEE C(=N/n1c(Cc2ccccc2)nnc1SCc1ccccc1)\c1cccc2ccccc12 1874416778 HLDCJJCPZDPQRE-TURZUDJPSA-N 434.568 6.197 30 10 IKEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3c(C)cccc3C)nnc2C2CCCC2)cc1 1874454333 CMZAJBVWWVVTIC-CVKSISIWSA-N 447.608 5.474 30 10 IKEE Cc1cccc(CSc2nnc(C(F)(F)F)n2/N=C/c2ccc(C(F)(F)F)cc2)c1 1874459241 CZGRDUAAVSFHTD-NSKAYECMSA-N 444.404 5.799 30 10 IKEE COCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(C(C)(C)C)cc1 1874502865 DSALENRALOXEBF-JVWAILMASA-N 444.604 6.050 30 10 IKEE COCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874503172 UQGXLICIKBCJLQ-ZMOGYAJESA-N 428.989 5.550 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2ccccc2Cl)cc1 1874512126 XWOKDDRZCCPWRB-ZMOGYAJESA-N 441.988 5.230 30 10 IKEE O=C(/C=C/c1ccccc1OCc1c(Cl)cccc1Cl)c1cccc([N+](=O)[O-])c1 1874569770 GKJFDOYIGUCAQG-VAWYXSNFSA-N 428.271 6.377 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCc3c(F)cccc3Cl)ccc3ccccc23)cc1 1874574930 MHMLXTFXNKUTSE-CCEZHUSRSA-N 446.905 7.116 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c1OCc1ccccc1Cl 1874582902 MTBBNEGSSHDNPK-SAPNQHFASA-N 434.963 7.121 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1OCc1ccccc1Cl 1874598369 JDDNYJIAOULVSU-FMIVXFBMSA-N 436.935 6.449 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1C 1874606704 CFXWADXVWONZQY-BJMVGYQFSA-N 437.879 6.040 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 1874617862 XFEVFZOIAKYKAL-ACCUITESSA-N 445.515 6.394 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3F)c([N+](=O)[O-])c2)cc1 1874622783 VGNARDOFOQDGMP-RIYZIHGNSA-N 433.479 6.507 30 10 IKEE CCCOC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OC 1874623052 JXUSPGPRBMPUCH-IZZDOVSWSA-N 430.928 5.700 30 10 IKEE CCOc1ccc(CC(=O)Oc2cc(/C=C/C(=O)c3cccc(OC)c3)ccc2OC)cc1 1874694520 HSLKCXPBLCZJTI-GXDHUFHOSA-N 446.499 5.147 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OC(=O)CSc1ccccc1 1874699235 KXMQPXYSSXLNNR-ZRDIBKRKSA-N 438.932 5.942 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3c(C)cccc3C)c2)cc1 1874701439 SLWNDRVGYQPHIP-LFIBNONCSA-N 430.500 5.583 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccccc3OC)c2)cc1 1874702319 XUFJHQAQTMQBGH-OQLLNIDSSA-N 446.499 5.608 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCc3ccccc3C)c2)c(C)c1C 1874711760 HOUYSCIJMFCUND-NTCAYCPXSA-N 428.528 6.055 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(F)c(F)c3)c2)cc1Cl 1874717076 XTFZRLGESWLLSU-WEVVVXLNSA-N 428.818 5.742 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1[N+](=O)[O-] 1875095220 FYSGVOSWYMUZEB-GXDHUFHOSA-N 443.499 6.520 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(Cl)cc2)c(Cl)c1)c1ccc2ccccc2c1 1875096262 FLSDIXHDZHFFMY-WLRTZDKTSA-N 447.317 7.262 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)cc2)cc1 1875099807 ABPFANYBVZRJRH-CXUHLZMHSA-N 444.487 5.339 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)[C@H]1CCCO1 1875105293 MUYNVQBRBDMZAC-MVHVFESUSA-N 435.303 5.373 30 10 IKEE O=C(Cc1ccccc1F)Oc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1Cl 1875121447 PUNICRVZFYOKJH-CSKARUKUSA-N 429.274 6.177 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC(=O)c1ccc(C)c(C)c1 1875121933 BILHPQINNNWUKH-IZZDOVSWSA-N 436.454 6.096 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)c1cccc(F)c1 1875135924 OVYBZIQMQOYNKY-FMIVXFBMSA-N 438.882 6.302 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(C)c([N+](=O)[O-])c1 1875136439 OZWLOWCXIZGQGT-KPKJPENVSA-N 431.444 5.336 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)Oc3ccc(Cl)cc3)cc2)c1 1875137805 FRZNLLQAHREJHX-UCSSQIFYSA-N 434.919 6.226 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 1875149032 VGYBLVRVCZSLLL-LICLKQGHSA-N 426.556 6.645 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)Cc1ccccc1OC 1875158654 HMOKSWPSDILRRJ-RIYZIHGNSA-N 434.463 5.277 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(Br)c1OC(C)=O 1875170162 KDYVUPBVOYSLGM-CMDGGOBGSA-N 445.353 5.903 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc([N+](=O)[O-])c1OC(=O)c1ccco1 1875183864 WYBYBMQBSNNWLF-CMDGGOBGSA-N 449.459 5.627 30 10 IKEE C=CCN(CC=C)C(=O)c1cc2c(NCCCCc3ccccc3)ncnc2n1CC(C)C 1875210920 SNQVKFPTLRCQNE-UHFFFAOYSA-N 445.611 5.336 30 10 IKEE CC1(C)OB([C@]23C[C@@H]2CCN(Cc2ccc(Cl)c(Br)c2)C3)OC1(C)C 1879791650 FAHFZMQPOJNJCB-LIRRHRJNSA-N 426.591 5.161 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@H](NC(=O)OC(C)(C)C)c1ccccc1)NCCC 1922059377 GLNNLXRBFDCKJM-DQEYMECFSA-N 438.612 5.784 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1cc(Br)cc(Br)c1 1922089317 OQDQEGNLEQLPTF-LJQANCHMSA-N 439.191 5.635 30 10 IKEE CCCCCCCCC[C@@H](NC)c1sc(Br)c(C)c1Br 1922919561 XUXVEHLVZARACX-CYBMUJFWSA-N 425.274 6.983 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@H]2CCCCN2C(=O)OC(C)(C)C)c1 1944734956 DLAZFVJIOCVMCJ-UXHICEINSA-N 429.561 5.418 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(C(=O)OC(C)(C)C)C(C)(C)C2)cc1 1949595059 GIUPGASMPFWNPQ-XMMPIXPASA-N 429.561 5.418 30 10 IKEE CCC[C@@H]1CC[C@H](C#N)[C@H](N(OCc2ccccc2)C2CN(C(=O)OC(C)(C)C)C2)C1 2006996509 VQUMLUVVCNQTJC-KJXAQDMKSA-N 427.589 5.148 30 10 IKEE CC(C)[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)CN1Cc1ccccc1 2029761518 GCRHWCJKRXGWIY-OZXSUGGESA-N 437.559 5.760 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCC[C@@H]2CNC(=O)OC(C)(C)C)cc1 2032218371 XNMOEOXPDFXFSG-KBMIEXCESA-N 443.588 5.714 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CC(C)(C)[C@H]2OCc2ccccc2)c1 2038722943 AAFNFAACMSRKPP-ATIYNZHBSA-N 436.552 5.714 30 10 IKEE CCN[C@@H](CC#CC(C)(C)C)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2041902430 IYEFSZAQGQKWEK-WNCULLNHSA-N 442.644 5.248 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@H](C#N)[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2073118912 ONYYCMFHTBSZNV-VQIMIIECSA-N 447.551 5.495 30 10 IKEE Cc1cc(C)c([C@@H](n2nc(C(C)C)c(C#N)c2I)C(C)(C)C)cc1C 2079137801 DJHMDXDEMWWLEG-LJQANCHMSA-N 449.380 6.044 30 10 IKEE CC1([C@@H](c2ccc(C3CCC3)cc2)n2nc(C3CCC3)c(C=NO)c2Br)CC1 2079956754 LEXFPAWPKORHQB-OAQYLSRUSA-N 442.401 6.378 30 10 IKEE CCCc1ccc([C@@H](C(C)C)n2nc(C(C)C)c(C#N)c2I)cc1 2080032595 FKSAGYAMSOOZQO-LJQANCHMSA-N 435.353 5.681 30 10 IKEE CCc1nn([C@H](c2ccc(C(F)(F)F)cc2)C2(C)CC2)c(Br)c1C=NO 2080048075 NIIKEQQLFWKKQD-OAHLLOKOSA-N 430.268 5.424 30 10 IKEE CCCOc1ccc([C@H](C2CCC2)n2nc(CC)c(C#N)c2I)cc1 2080125223 CVQVXFIIAUWATJ-IBGZPJMESA-N 449.336 5.100 30 10 IKEE N#Cc1c(C2CCCCC2)nn(Cc2ccc(C(F)(F)F)cc2Br)c1Cl 2080388684 VCMQRBAEYLILOB-UHFFFAOYSA-N 446.698 6.285 30 10 IKEE N#Cc1c(C2CCCCC2)nn2c(Cl)cc(-c3ccc(Br)cc3F)nc12 2081162785 DZWXEPPQYKGQDC-UHFFFAOYSA-N 433.712 5.871 30 10 IKEE Cc1ccc(-c2c(C3CCCCC3)nn3c(Cl)c(C#N)cnc23)cc1Br 2081564079 LHFLKJYAWQIHPM-UHFFFAOYSA-N 429.749 6.040 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](Nc2cc(Br)c(C#N)cc2F)CC1 2133530290 RZZGAQAOCFHYIH-UONOGXRCSA-N 426.330 5.098 30 10 IKEE N#Cc1cc(F)ccc1NCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134727728 KQSBWMUNSNLYNE-UHFFFAOYSA-N 438.502 6.467 30 10 IKEE CCCCCC#CC[C@H](NC)c1ccc(Br)cc1I 2142288685 MBANYNOPRUVLFZ-INIZCTEOSA-N 434.159 5.288 30 10 IKEE COc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)c(C)c1 2143763566 GXIHNPFQZMXFHC-LJQANCHMSA-N 431.330 5.773 30 10 IKEE CCN(Cc1ccccc1Nc1cc(Br)ccc1C#N)C(=O)OC(C)(C)C 2162414144 MDNFXZOPYKKNEM-UHFFFAOYSA-N 430.346 5.821 30 10 IKEE N#Cc1c(F)cc(Br)cc1NC[C@H]1CN(Cc2ccccc2)CC12CCC2 2163691242 DWURGAAATPXJRW-KRWDZBQOSA-N 428.349 5.174 30 10 IKEE C[C@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)Nc1cc(Br)cc(F)c1C#N 2163707436 JVPCYGFDSQVCHD-RNODOKPDSA-N 440.357 5.345 30 10 IKEE CC(C)N(C[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(C#N)c(Br)c1F 2174809940 GHFBEBLLDZMADZ-OAHLLOKOSA-N 440.357 5.074 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1c1ccc(C#N)c(Br)c1 2174812500 LMFYVHIRAFPEIR-RTBURBONSA-N 434.378 5.079 30 10 IKEE CC(C)N(C[C@@H]1CCCN(c2cc(Br)ccc2C#N)C1)C(=O)OC(C)(C)C 2174814473 IKLKNHOHEMTBDJ-MRXNPFEDSA-N 436.394 5.183 30 10 IKEE CN(C(=O)OC(C)(C)C)[C@H](CNc1ccc(C#N)cc1Br)c1ccccc1 2175021859 CTSILIBLSLSUKW-LJQANCHMSA-N 430.346 5.341 30 10 IKEE O=C(C=C1CCCCC1)c1sc(Br)c(Br)c1Br 2216492009 GRECOXXWZMHYAN-UHFFFAOYSA-N 442.998 6.109 30 10 IKEE C=CCCCCC[C@@H](N)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229118610 OTURSGJRIQNSEC-MOPGFXCFSA-N 425.411 5.349 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C 2235716680 GXIMMOGVFJOWST-OALUTQOASA-N 437.422 5.108 30 10 IKEE Cc1sc(C(=O)N(Cc2ccccc2)CC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1C 2255853700 TWELCNOQEHZPDP-UHFFFAOYSA-N 441.446 5.353 30 10 IKEE N[C@H](C#Cc1cccc(Br)c1)c1csc(Br)c1Br 2264183656 CGJHGHIUQTZYSP-LLVKDONJSA-N 449.993 5.087 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N(Cc2ccccc2)CC2CCCC2)c1 2267226948 PEWNTJXAPDWQQY-UHFFFAOYSA-N 433.401 5.127 30 10 IKEE Cc1c(NC(=O)OC(C)(C)C)ccc([C@H](N)C#Cc2ccccc2Br)c1C 2283402503 SZQICMVVCHQAKQ-LJQANCHMSA-N 429.358 5.464 30 10 IKEE CCCCCCCC[C@@H](OCCN)c1cc(Br)c(Br)s1 2293367166 ARBHRDNPQRLUMS-CYBMUJFWSA-N 427.246 6.040 30 10 IKEE C=CCN1C(=O)SC(=Cc2ccc(OCc3cccc4ccccc34)c(OC)c2)C1=O 2293520686 KOFFAKITKZDDMI-UHFFFAOYSA-N 431.513 5.650 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)C(C)(C)[C@H](C)NC(=O)OC(C)(C)C 2296216876 ONBBCBTZGFQCPD-LPHOPBHVSA-N 437.422 5.108 30 10 IKEE COc1ccc(C=C2SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1OC 2296826782 QXYJCFCFJPHJHK-UHFFFAOYSA-N 444.556 6.129 30 10 IKEE CCOC(=O)C1=C(Nc2cccc3ccccc23)SC(=Cc2ccc3c(c2)OCO3)C1=O 2297311022 QHQHLTCPWHOYGY-UHFFFAOYSA-N 445.496 5.112 30 10 IKEE COc1ccc(N=C2NC(=O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)S2)cc1 2297460605 ZEYNJOOPPKSNFW-UHFFFAOYSA-N 439.540 5.590 30 10 IKEE C=CCN1C(=O)C(=Cc2c[nH]nc2-c2cccc([N+](=O)[O-])c2)SC1=Nc1ccc(C)cc1 2314489628 UEDRKFZIBSZLAF-UHFFFAOYSA-N 445.504 5.083 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C)n2N=Cc2ccc(Cl)c(Cl)c2)cc1C 2321086165 WDFHKKVYWCHXSW-UHFFFAOYSA-N 448.379 5.123 30 10 IKEE Cc1ccc(COc2cc(C)c3c(c2)OC(=Cc2ccc(Br)cc2)C3=O)cc1 2321744035 GCZDPGVSPAZOQA-UHFFFAOYSA-N 435.317 6.261 30 10 IKEE CCCCN1COc2ccc3c(c2C1)OC(=Cc1cn(CC)c2ccc(OC)cc12)C3=O 2322040291 PEKPUHKPDGGSKH-UHFFFAOYSA-N 432.520 5.238 30 10 IKEE CCCOc1ccc(C=Nn2c(S)nnc2CC23CC4CC(CC(C4)C2)C3)cc1OC 2322183756 LELVLZVGBXUCHD-UHFFFAOYSA-N 440.613 5.005 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc4c3CN(Cc3cccc(C)c3)CO4)C2=O)cc1 2322216189 XBMWBOKWVGNPPH-UHFFFAOYSA-N 427.500 5.362 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(Cl)cc2Cl)c1OCc1ccc(F)cc1 2322391243 YMSIFPAYGMZVRY-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCC(=O)OCCC)cc1 2322391748 BOMLKQJJCPBKET-UHFFFAOYSA-N 444.955 5.919 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCc2ccc(C)cc2)cc1 2322398404 PFGHCGUVNCOCEH-UHFFFAOYSA-N 448.990 7.475 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccccc1OCC(=O)N[C@H](C)c1ccccc1 2322638269 DTBBVVJJFYYJTC-HXUWFJFHSA-N 429.516 5.156 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3cc(OC(=O)c4cccs4)cc(C)c3C1=O)cn2C 2322667369 OFRRJWBXRKBHOI-UHFFFAOYSA-N 445.496 5.392 30 10 IKEE CCOc1cc(C=NNc2ccc(C)c(Cl)c2)ccc1OCc1cccc(Cl)c1 2322969421 GYQQWMRQBSTNLP-UHFFFAOYSA-N 429.347 6.726 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])cc(C)c2C1=O 2323154202 GAYWZUFVZAPNMA-UHFFFAOYSA-N 445.427 5.137 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC)c(OCc3ccc(Cl)cc3)c2)c1 2323177243 NZGANPAJPFDRTL-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3c(C)cccc3C)c2)cc1F 2323202515 FHWWAVVDPVPPHX-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1cccc(OCC(=O)NC2CCCCC2)c1 2323301728 XZHKSKAZCVDDJV-UHFFFAOYSA-N 441.955 5.381 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)ccc1OCc1ccc(C)cc1 2323353771 LAIVSTPFPFKKLM-UHFFFAOYSA-N 448.562 7.536 30 10 IKEE COc1ccc(OC)c(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2C)C3=O)c1 2323486559 LQVXVPFOVYYGAQ-UHFFFAOYSA-N 442.467 5.247 30 10 IKEE Sc1nnc(Cc2ccccc2)n1N=Cc1ccc(OCc2ccccc2)c(Cl)c1 2323511657 ARJNBRIYJJBAAJ-UHFFFAOYSA-N 434.952 5.272 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1Cl)Nc1ccccc1F 2323766266 UMPIREIUQHPRJU-UHFFFAOYSA-N 444.289 6.046 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OCC(=O)Nc1cc(C)ccc1C 2323808643 FSTARMZRIMYZDV-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(OC)c1OCc1ccccc1C 2324084545 QVKYEMRHBQCHFO-UHFFFAOYSA-N 432.472 5.216 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OCc1ccccc1C 2324169675 YFJXDWXAKVEMHX-UHFFFAOYSA-N 448.990 7.646 30 10 IKEE N#C[C@H](C(=O)C=Cc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc3c(c2)CCCC3)cs1 2324356779 WQUNXBNPHVDTSA-OAQYLSRUSA-N 429.501 5.487 30 10 IKEE CCCCCOC(=O)COc1ccc2c(c1)OC(=Cc1cccc(Br)c1)C2=O 2325041224 PSOOJYGXOQXSKS-UHFFFAOYSA-N 445.309 5.178 30 10 IKEE CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1)OC(=Cc1ccccc1OC(F)F)C2=O 2325079393 KCLPHKXXYZKYKZ-QGZVFWFLSA-N 432.419 5.015 30 10 IKEE CC(=O)Nc1ccc(C(=O)COc2ccc3c(c2C)OC(=Cc2sccc2C)C3=O)cc1 2325235345 AUZZJGOLGYBXOF-UHFFFAOYSA-N 447.512 5.201 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1cccc(Br)c1 2325511250 MQSXXLGECSGSOH-UHFFFAOYSA-N 443.414 5.866 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccccc1Cl 2325610403 DFBULXCILJHYTI-UHFFFAOYSA-N 425.772 5.975 30 10 IKEE Cc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)c2)c(C)c1 2325684521 BQINBOJXHMRQNW-UHFFFAOYSA-N 431.444 5.092 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1OC(=O)Cc1ccc(F)cc1 2325690538 RXOCDYCEFBVIFH-UHFFFAOYSA-N 440.470 6.032 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3cccc(C=CC(=O)c4ccc(F)cc4F)c3)c(C)c2c1 2325726425 RHCZIZSCZRSNJQ-UHFFFAOYSA-N 431.438 6.178 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(Cl)cc3)c2)c(OC)c1 2325730143 CWFBTBBOVYBLBU-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4)ccc3C2=O)cc1 2325740074 MBZFLPQBNKKRCV-UHFFFAOYSA-N 442.515 5.167 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)CCCSC)c1 2325756328 XPEWMCHZYIXOEG-UHFFFAOYSA-N 439.360 5.947 30 10 IKEE COc1ccccc1OCC(=O)Oc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC 2325759837 LWGQEZPWCHYGOK-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)c3ccc(Cl)c(Cl)c3)c2)c(C)c1 2325764624 NUMJKXPYULTQSP-UHFFFAOYSA-N 439.338 7.034 30 10 IKEE CCc1ccc(CCC(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c(Cl)c3)c2)cc1 2325769645 OPTUQLKKTBCRTC-UHFFFAOYSA-N 448.946 6.345 30 10 IKEE CCOc1ccc(C=Nn2cnnc2SCc2c(Cl)cccc2Cl)cc1Cl 2326511598 OTXMBPWZLMHQIH-UHFFFAOYSA-N 441.771 5.812 30 10 IKEE Cc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1cccc(Cl)c1Cl 2326569945 OJBYPEAMYDLWCH-UHFFFAOYSA-N 429.735 5.860 30 10 IKEE CCSc1nnc(COc2c(C)cccc2C)n1N=Cc1ccc(Cl)c(Cl)c1 2328554936 PGZRKVAPVBOWFQ-UHFFFAOYSA-N 435.380 5.775 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCCc2ccccc2)n1N=Cc1cccnc1 2328558431 CGWOHKBFZZNYSC-UHFFFAOYSA-N 443.576 5.086 30 10 IKEE Clc1ccccc1C=Nn1c(CCOc2ccccc2)nnc1SCc1ccccc1 2329190030 GADNFSRVENMRAO-UHFFFAOYSA-N 448.979 5.728 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2)n1N=Cc1ccccc1F 2329486924 RTXZJMIRMDMTRY-UHFFFAOYSA-N 430.552 5.685 30 10 IKEE COc1cccc(C=Nn2c(CCc3cccs3)nnc2SCc2cccc(C)c2)c1 2329639371 JTIHCGCURGXXOE-UHFFFAOYSA-N 448.617 5.616 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2cc(Cl)ccc2O)cc1 2329992604 PFOLXHTUKFKWKE-UHFFFAOYSA-N 448.979 5.711 30 10 IKEE C=CCSc1nnc(Cc2ccc(C)cc2)n1N=Cc1cccc(OC)c1OCCC 2330008225 ZZBUORDRZDHFMH-UHFFFAOYSA-N 436.581 5.135 30 10 IKEE C=CCSc1nnc([C@H](C)c2ccccc2)n1N=Cc1cccc(OC)c1OCCC 2330120513 HXHHBWRCTHRPMS-GOSISDBHSA-N 436.581 5.388 30 10 IKEE CCCOc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCCC)cc1OCC 2330280547 ZISVHSWUIKKTIN-UHFFFAOYSA-N 444.645 5.973 30 10 IKEE Cc1ccccc1CSc1nnc(CC(C)(C)C)n1N=Cc1ccc(C(C)(C)C)cc1 2330810463 YKLMWMNAGHNRFX-UHFFFAOYSA-N 434.653 6.647 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(C)c2)cc(OC)c1OC(=O)C(F)(F)F 2330875674 QKMKJUCMEHZYRO-UHFFFAOYSA-N 434.410 5.105 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1OC 2330896157 YSFHEGSYZHPSHO-UHFFFAOYSA-N 445.353 6.230 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)c1ccc(CC)cc1 2331077879 HVGOIQNEWKWJGB-UHFFFAOYSA-N 430.500 5.772 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1cccc(Cl)c1 2331136353 KWZBVLBPGACFAW-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE COc1ccccc1C=Nn1c(SCc2cccc3ccccc23)nnc1C(F)(F)F 2331149709 BWJYXRHVWGJVJC-UHFFFAOYSA-N 442.466 5.633 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2Cl)cc1 2331165820 HKYZYZCKMSHRLT-UHFFFAOYSA-N 448.946 6.563 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1OC(=O)c1cncc(C)c1 2331281058 BVEUVJJBKDOVOZ-UHFFFAOYSA-N 446.459 5.121 30 10 IKEE CCCCc1nnc(SC)n1N=Cc1ccc(OCc2ccccc2C)c(OCC)c1 2331312660 MRHIYDAHSRYMCF-UHFFFAOYSA-N 438.597 5.511 30 10 IKEE CCCCc1nnc(SCc2ccc(C(=O)OC)o2)n1N=Cc1cccc2ccccc12 2331337169 FBNUOOBWUARVBF-UHFFFAOYSA-N 448.548 5.328 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1 2331411745 IMPZQKSCZJGKPC-UHFFFAOYSA-N 448.946 6.761 30 10 IKEE Cc1cncc(C(=O)Oc2ccc(C=CC(=O)c3cccc4ccccc34)cc2[N+](=O)[O-])c1 2331474927 YJHJTRPRROYFSI-UHFFFAOYSA-N 438.439 5.567 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)Cc2ccccc2)cc1 2331633426 YHNBEWAXOXZQJK-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)c(OC)cc2OC)ccc1OC(=O)C(C)(C)C 2331701477 DVRCWIUBAJFHII-UHFFFAOYSA-N 446.927 5.604 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc1 2331754722 UYKLXULUPMIADT-UHFFFAOYSA-N 442.983 7.209 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3c(C)cc(C)cc3C)cc2OC)cc1 2331780020 RFVSBZXRHQXFNS-UHFFFAOYSA-N 430.500 5.744 30 10 IKEE O=C1CCCC2=C1[C@@H](c1ccccc1F)n1nc(SCc3ccccc3Cl)nc1N2 1283419 PFVAKQXPCZSFFH-HXUWFJFHSA-N 440.931 5.385 30 10 IKEE CC(C)c1ccc(NC(=S)N/N=C/c2cccn2Cc2ccc(F)cc2Cl)cc1 3587568 JFBIQEXPISDTPS-DHRITJCHSA-N 428.964 5.773 30 10 IKEE C=CCn1c(S[C@@H](C(=O)NC2CC2)c2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1 17710967 GZFCZQALZRYZDF-JOCHJYFZSA-N 446.620 5.541 30 10 IKEE CC(C)c1ccc([C@H]2C3=C(C[C@H](c4cccs4)CC3=O)Nc3nc4ccccc4n32)cc1 19630352 MBDNFCLAAFUQDE-SIBVEZHUSA-N 439.584 6.637 30 10 IKEE Cc1ccc2nc(CSc3n[nH]c(N/N=C/c4cccc(Cl)c4Cl)n3)[nH]c2c1 21078465 OGSDHGBXVRGXIZ-ODCIPOBUSA-N 432.340 5.035 30 10 IKEE CCn1nc(C)c(CN/C(=N/C(=O)c2ccccc2C)Nc2ccc(F)c(Cl)c2)c1C 32972220 JSUHPHQYTXCRHM-UHFFFAOYSA-N 441.938 5.019 30 10 IKEE CCCn1cc(CN/C(=N/C(=O)c2ccc(C)c(C)c2)Nc2cc(C)cc(C)c2)c(C)n1 32973009 LVKIKEDJFSHULX-UHFFFAOYSA-N 431.584 5.233 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)/C=C\c3ccccc3)[C@H]2c2ccc(F)cc2)cc1 33414476 LMWOXDKLWIKHDC-WWGDACFLSA-N 429.447 5.017 30 10 IKEE O=C1/C(=C/c2ccccc2F)Oc2cc(OCc3c(F)c(F)c(F)c(F)c3F)ccc21 39754227 XHMRZVUQSPAIOW-APSNUPSMSA-N 436.307 5.716 30 10 IKEE CCCCOc1ccccc1/C=N/N=C1\NC(=O)[C@@H](Cc2cccc(C(F)(F)F)c2)S1 39888392 VWTJQZMIYAUZJX-YMSFFTPVSA-N 449.498 5.049 30 10 IKEE COc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(Cc1ccc(C)cc1)C3 41644926 GDXDUDIHSLSEFL-CFRMEGHHSA-N 427.500 5.280 30 10 IKEE COc1ccc(/C=C\C(=O)c2ccc(N3CCCCC3)cc2)cc1CSc1ccccn1 96576957 CYSLGLDJAFWMBY-ZSOIEALJSA-N 444.600 6.269 30 10 IKEE CCNc1ccc(Br)cc(C(=O)/C=C\c2cccc(C(F)(F)F)c2)c1=O 97474804 XKBBATJYPCVQNT-TWGQIWQCSA-N 426.232 5.156 30 10 IKEE CCCCCCCOc1ccc(NCC(=O)Nc2ccccc2OC[C@H]2CCCO2)cc1 100077617 ROHWCIKPJOLPDT-HSZRJFAPSA-N 440.584 5.644 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)OC)c3)o2)S/C1=N\c1ccccc1 101026616 QWXOSSDPZIQZOJ-PSYZWBJOSA-N 432.501 5.357 30 10 IKEE CCCCCCCCS(=O)(=O)N1CCC[C@H]1c1nc2cc(-c3ccccc3)ccc2o1 103013431 KFDSSMHTXZURHV-QHCPKHFHSA-N 440.609 6.322 30 10 IKEE CCOc1cc(/C=N/Nc2ccc(F)cc2)ccc1OCc1ccc(Br)cc1 169878974 XREUFLOLWVKTJH-AFUMVMLFSA-N 443.316 6.012 30 10 IKEE COC(=O)c1sc(N/N=C\c2ccc(OC(C)C)c(Cl)c2)nc1-c1ccccc1 169942722 VDUUWGUJJWJRNX-FMCGGJTJSA-N 429.929 5.483 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(C)c1 169967216 OXBCRXWYYDYSLN-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccccn2)cc1 169991814 RYTJLGCMHFMYAI-DEOSSOPVSA-N 438.483 5.734 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2)cc1 170032627 KXPSRBGZHUEERX-QHCPKHFHSA-N 431.463 5.397 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(Cl)cc2)c1 170056705 XCMZQRSPBAKUSS-NRFANRHFSA-N 437.948 5.797 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(F)cc2)cc1C 170063497 SVLJMGABBFJDAU-HSZRJFAPSA-N 426.447 5.097 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cn(C)c3ccccc23)cc1 170084364 QTIYAEVLZWGMEI-DEOSSOPVSA-N 440.499 5.112 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@@H]1c1cccc(OC)c1 170121258 CFKRERSCLRBKFK-QHCPKHFHSA-N 437.536 5.089 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccc(O)cc2)cc1C 170133640 FUAINSONQRXDKQ-XMMPIXPASA-N 443.499 5.109 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)c(Cl)cc2OC)[C@@H]1c1cccc(C)c1 170146700 LVDXZEDPYDJQIP-NRFANRHFSA-N 443.927 5.044 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)cc1C 170159721 HTPVRFDRDYCSRL-JOCHJYFZSA-N 433.529 5.547 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccncc1)c1ccc2ccccc2c1 170199751 YNIJYYYYYOPMLE-QHCPKHFHSA-N 442.421 5.296 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccncc2)c1 170203997 SBKXTVRWGCBCRX-JOCHJYFZSA-N 448.906 5.307 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1cccc2ccccc12 170221183 BBSYQGYUBZRMJV-VWLOTQADSA-N 441.571 6.434 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccc2)ccc1Cl 170228661 AIFWQTOMSQYDDV-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 170239565 KYICOFCWENRWPA-HXUWFJFHSA-N 442.273 5.915 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2C)c1 170272042 NGTFOSCPSRLQHB-QHCPKHFHSA-N 447.918 5.830 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1ccco1 170282860 YOLYIAVRMKUSJP-HSZRJFAPSA-N 445.515 5.677 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2ccc(C(C)C)cc2)c1 170378074 URRGGVNBABPVEJ-XMMPIXPASA-N 442.515 5.387 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(Cl)cc(Cl)c2)c1 170388726 KHTQJKFNNWFMGX-IBGZPJMESA-N 428.271 5.678 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccco2)=C(O)C(=O)N1c1ccc(OCC(C)C)cc1 170397059 XGVDEFGOQIVEPQ-HSZRJFAPSA-N 431.488 5.406 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cccc(C)c2C)cc1 170453511 ZHCGGMOGFHWUII-QHCPKHFHSA-N 434.580 5.665 30 10 IKEE CCCCCCCCO[C@H]1CN(CCCCCCCC)C[C@@H](O)[C@@H]1OCc1ccccc1 205288987 AQBRCUMBMLESGZ-PKTNWEFCSA-N 447.704 6.355 30 10 IKEE CCCN1C(=O)/C(=C/c2ccc(OCC)c(OC)c2)SC1=Nc1ccc(OCC)cc1 252628205 SKXGJPMPICTUNM-HNYZTYFESA-N 440.565 5.507 30 10 IKEE Cc1ccc(N=CC2=C(c3ccccc3)Oc3ccccc3[C@H]2c2ccccc2C)cc1C 254391880 CDSLPVZVKDXMAX-SSEXGKCCSA-N 429.563 7.950 30 10 IKEE CC1(C)CSC(=Nc2cccc(C(F)(F)F)c2)N1C(=O)/C=C/c1ccc(Cl)cc1 254797992 RCLVYQHOWKDJRB-AZDQSDFWSA-N 438.902 6.414 30 10 IKEE Cc1ccc(N=C2S/C(=C3/Sc4ccccc4N3C)C(=O)N2c2cccc(C)c2)cc1 254821365 YVQQMXWUYNEEDA-CJKMRZRNSA-N 443.597 6.482 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cn(C)c3ccccc23)c1 526488799 NEGONDTWGJBRTK-RUZDIDTESA-N 435.483 5.116 30 10 IKEE Cc1cccc([C@@H]2C(c3ccc(Cl)cc3Cl)=C(O)C(=O)N2c2cccc(C#N)c2)c1 526520566 HPMLZYAFRUIDIU-JOCHJYFZSA-N 435.310 6.231 30 10 IKEE CCCCCOc1ccc(/C=N\n2c(CCC)nnc2SCc2ccccc2F)cc1 526803490 WAUDXMYSZDOXPH-ONUIUJJFSA-N 440.588 6.113 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1/N=C\c1ccc(OCC(C)C)cc1 526803833 PXUNOVDUXFDOGP-YSMPRRRNSA-N 440.588 5.969 30 10 IKEE CCCOc1c(/C=N\n2c(CC)nnc2SCc2cc(C)cc(C)c2)cccc1OC 526810140 ZIOWGIYRKPTACT-MYYYXRDXSA-N 438.597 5.429 30 10 IKEE C=CCN(CC=C)C(=O)Nc1cccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1 586683209 ASLUEMXTXGIHQE-UHFFFAOYSA-N 436.512 5.407 30 10 IKEE CCCCCCCCc1ccc(C(=O)C[C@H](Nc2cc([N+](=O)[O-])ccc2O)C(=O)O)cc1 606655927 IDWLPPOQNBFSSF-NRFANRHFSA-N 442.512 5.342 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@H](C#N)c1cc(Br)cs1 698960092 VIFKVNQVEWKWRM-CQSZACIVSA-N 427.751 6.170 30 10 IKEE c1ccc(CN(CCC/N=C2/NC3(CCSCC3)CCS2)Cc2ccccc2)cc1 719724592 FUCZHRQSBNCJTJ-UHFFFAOYSA-N 439.694 5.427 30 10 IKEE COc1cc(C=NNc2nc3ccccc3[nH]2)ccc1OCc1ccc(Cl)cc1Cl 1083886564 PMCVXAKJPNTXRG-UHFFFAOYSA-N 441.318 5.903 30 10 IKEE Oc1c(Cl)cc(Cl)cc1C=Nc1ccccc1OC(F)(F)[C@@H](F)C(F)(F)F 1083907573 MSDUGGXJGYRTMY-AWEZNQCLSA-N 432.147 6.322 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)CCSc2n[nH]c(NN=C(C)c3ccccc3)n2)cc1 1083997482 PSPKLEHPRCIZSH-INIZCTEOSA-N 436.585 5.275 30 10 IKEE Oc1ccc2ccccc2c1C=Nc1cc(C(F)(F)F)ccc1Oc1ccc(Cl)cc1 1084317817 UJSKFBQSPZFEOM-UHFFFAOYSA-N 441.836 7.761 30 10 IKEE CCN(CC)c1ccc(C=Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)cc1 1084343199 ZQNJGXSFQLXXCQ-UHFFFAOYSA-N 435.593 5.701 30 10 IKEE COc1ccc(C)cc1NC(=O)c1oc2c(c1C)C(=NNc1ccc([N+](=O)[O-])cc1)CCC2 1772746946 FUKVIKIRADCEJU-UHFFFAOYSA-N 448.479 5.218 30 10 IKEE O=C1/C(=C\c2ccc(Cl)cc2)SC(=NN=Cc2cccs2)N1Cc1ccco1 1772757942 MUGUXGVPZXRJBH-YCDITFNJSA-N 427.938 5.501 30 10 IKEE CCCCCCCCCCNC(=O)c1c2c(nc3ccc(Br)cc13)CCCC2 1859577832 QQGWHRVKEYKKLG-UHFFFAOYSA-N 445.445 6.747 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1c(C)ccc2ccccc12 1860991063 RZMGPYNZJWNUQA-SANMLTNESA-N 444.619 5.966 30 10 IKEE CCCCCCCCNC(=O)[C@@H](NC(=O)CCc1ccc(Cl)cc1)c1ccccc1 1861105111 BSDKZHKEYALGHP-DEOSSOPVSA-N 429.004 5.607 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccc(OCC)c(OC)c2)cc1 1862394130 JDSQKCSYYIOYHD-DEOSSOPVSA-N 449.547 5.177 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccccc1F)c1ccccc1Cl 1862430780 RLUCOWMPBDBHTA-JOCHJYFZSA-N 435.882 5.300 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(Br)cc2)cc1 1862487537 DCVVOJXKNARKGK-HXUWFJFHSA-N 440.337 5.278 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccccc1[N+](=O)[O-] 1862492460 RYHLSRQOCSBFPN-JOCHJYFZSA-N 436.508 5.370 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2cccc(C)c2)cc1 1862534389 SEKWDYJEPCNMGF-VWLOTQADSA-N 429.560 6.026 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 1862536033 PJDIMVSZYWJYKA-MZNJEOGPSA-N 445.946 6.242 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cccc(O)c1 1862544678 ISLRNCYOMDULBC-WQWSHVPRSA-N 445.559 5.428 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc2cc[nH]c2c1 1862546298 VCVFEQASRKSVEJ-FYSMJZIKSA-N 428.532 5.424 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccccc2Cl)c1 1862560934 OVZSYHKHUZYDQC-QFIPXVFZSA-N 438.955 5.613 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cc(Cl)cc(Cl)c1 1862632180 LKQYUDOEYQHVCK-JEOXALJRSA-N 448.302 5.099 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1cccc(F)c1 1862638086 UEZPCQYBKCCBPG-NRFANRHFSA-N 429.463 5.132 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2cccc(C)c2)c1 1862698801 NOBVVYMOOOBSSG-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(C(C)(C)C)cc1 1862720603 ZISSSKOQHHNLNG-IQGLISFBSA-N 441.571 6.514 30 10 IKEE Cc1ccccc1NC1=C(c2cccc3ccccc23)C(=O)N(c2ccc(C#N)cc2)C1=O 1862849389 MIINQJDMAFKLTL-UHFFFAOYSA-N 429.479 5.417 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2Cl)=C(c2ccc(OCc3ccccc3)cc2)C1=O 1863367125 OGMRFBFDKXHJSU-UHFFFAOYSA-N 444.918 5.297 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(CC)cc2Br)=C(c2cc(C)ccc2C)C1=O 1863405581 CONALOYCCVJBSO-UHFFFAOYSA-N 439.353 5.006 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(OCc3ccccc3)cc2)=C(c2ccccc2Cl)C1=O 1863442810 ZXCAGSLRCYLUPX-UHFFFAOYSA-N 444.918 5.297 30 10 IKEE CC(C)(C)c1ccc(-c2nc(Nc3cccc(C#N)c3)cc(N3CCOCC3(C)C)n2)cc1 1868537658 DBHBJUKYTGJCBR-UHFFFAOYSA-N 441.579 5.672 30 10 IKEE CCCCOc1cn(CCC(C)C)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870180907 DGPASZORFAFIOQ-UHFFFAOYSA-N 427.614 5.558 30 10 IKEE C=CCOc1cn(CCC(C)C)c(CSc2nc3ccccc3n2CCC)cc1=O 1870245088 XSALWLPRPCPAGU-UHFFFAOYSA-N 425.598 5.511 30 10 IKEE CCCCCCCOc1cn(Cc2cccnc2)c(CNc2ccc(OC)cc2C)cc1=O 1870833532 MRAKPTPPVHKHLX-UHFFFAOYSA-N 449.595 5.570 30 10 IKEE C=CCn1cc(OCc2c(C)noc2C)c(=O)cc1CNc1cc(C(C)C)cc(C(C)C)c1 1871010546 DVZIOWKTYUVHAH-UHFFFAOYSA-N 449.595 6.077 30 10 IKEE C=CCn1cc(OCCCc2ccccc2)c(=O)cc1CNc1ccc(CCCC)cc1 1871137595 GJHWBNYTHLSRFK-UHFFFAOYSA-N 430.592 6.001 30 10 IKEE CCCCCCCCn1cc(OCCCO)c(=O)cc1CNc1ccccc1C(C)C 1871267050 WNKQVHQNXNLCMR-UHFFFAOYSA-N 428.617 5.706 30 10 IKEE O=C(Cc1ccccc1[N+](=O)[O-])Oc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O 1871374529 PHRKCYWZFUWEGT-NHDPSOOVSA-N 435.819 5.013 30 10 IKEE CCCOc1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccncc2)C3=O)cc1 1871378664 XWHCLQUTTCLMJJ-PMPSOFGASA-N 441.483 5.414 30 10 IKEE CCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2OC)C3=O)cc1 1871380067 UVUQWSDBFNQSEO-FUPWBYONSA-N 442.467 5.329 30 10 IKEE Cc1c(OC(=O)C(C)(C)Oc2ccc(Cl)cc2)ccc2c1O/C(=C\c1cccnc1)C2=O 1871384876 NOWZAQOTJKQQLI-BKUYFWCQSA-N 449.890 5.423 30 10 IKEE Cc1cc(OCCCOc2ccc(Cl)cc2)cc2c1C(=O)/C(=C/c1ccc(F)cc1)O2 1871404390 AATWWOZCHOJAQJ-UCQKPKSFSA-N 438.882 6.252 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871411710 PKYZPPILNJEXIP-SNNLMFDCSA-N 445.490 5.719 30 10 IKEE CN(C)c1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(Cl)cc4)ccc3C2=O)cc1 1871440841 KHBHZNKNGAHHPP-QRVIBDJDSA-N 448.906 5.040 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OCC(=O)Nc3ccc(F)c(F)c3F)ccc2C1=O 1871443244 LHONLGPWUXKRAI-MFOYZWKCSA-N 445.418 5.108 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(C(C)(C)C)cc2)ccc2c1O/C(=C\c1ccco1)C2=O 1871445459 XIKLUKLYNPPBNX-HMAPJEAMSA-N 431.488 5.519 30 10 IKEE CCCCCCCCCCN=c1nc(N2C[C@@H](C)C[C@@H](C)C2)[nH]c(=Nc2ccccc2)[nH]1 1871602074 ZYRCRDSNLSJMAC-SZPZYZBQSA-N 438.664 5.494 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 1872526810 JXYNJPYYMAENRK-DEOSSOPVSA-N 442.625 5.232 30 10 IKEE N#C[C@H](C(=O)c1cccc(Oc2ccccc2)c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1872759806 ABSBEDJUSVRYGA-OAQYLSRUSA-N 441.468 6.001 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(C(C)(C)C)cc3)n2)cc1OC 1872761387 MFGPXZSJPBNXMH-GPVYEGESSA-N 446.572 6.014 30 10 IKEE N#C[C@@H](C(=O)Cc1ccc(Br)cc1)c1nc(-c2cccc3ccccc23)cs1 1872775625 VXBODIUGVSGPLA-FQEVSTJZSA-N 447.357 6.145 30 10 IKEE Cc1cc(C)c(-c2csc([C@@H](C#N)C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)c(C)c1 1872786880 VIPSBLWZYVNYHW-KRWDZBQOSA-N 436.449 5.042 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)Cc3ccc(OC(C)C)cc3)n2)cc1C 1872788004 VCBNPYDGXOECLN-NRFANRHFSA-N 434.561 5.642 30 10 IKEE CCCCCCCCNC1=C(c2ccc(OCCC)cc2)C(=O)N(CCCCCC)C1=O 1873144651 MHJPGMKCUZGFNR-UHFFFAOYSA-N 442.644 6.086 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cc(C)cc(C)c2)=C(c2ccccc2C)C1=O 1873303287 WTQPPVTVMBPXRA-UHFFFAOYSA-N 446.635 6.945 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(N3CCC(C)CC3)cc2)=C(c2c(C)cc(C)cc2C)C1=O 1873330437 HIQFJYSRTCFBLC-UHFFFAOYSA-N 443.591 5.226 30 10 IKEE Cc1cc(C)cc(CSc2nnc(C)n2/N=C/c2ccc(-c3ccccc3Cl)o2)c1 1873501852 RXPDIBSPUBZYNE-DHRITJCHSA-N 436.968 6.291 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)n2CC=C 1873615551 VFLWRDHVJBIJIT-UHFFFAOYSA-N 435.837 5.140 30 10 IKEE CCCSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1c[nH]c2ccccc12 1874226326 FEHDMCMQYUSURN-WPWMEQJKSA-N 447.608 5.772 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccc(Cl)cc1 1874230598 RLOIDXSVTBFXCE-BHGWPJFGSA-N 447.391 6.023 30 10 IKEE C=C(C)CSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1cccc(Cl)c1 1874246257 VLECFSVJYGCAHZ-MFKUBSTISA-N 441.000 5.802 30 10 IKEE CCCCOc1ccc(/C=N/n2c(COc3ccccc3Cl)nnc2SC)cc1 1874265939 XRTWYMUABCRWHG-OEAKJJBVSA-N 430.961 5.294 30 10 IKEE C=CCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(N(C)C)cc1 1874270354 RQHKKAKMJGKFRA-NLRVBDNBSA-N 427.577 5.248 30 10 IKEE CCCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1cccc(OCC)c1 1874282539 NBDWCZLGLIHXJA-LFVJCYFKSA-N 428.989 5.500 30 10 IKEE COc1ccc(CCc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2F)cc1 1874305520 BYIRRFUKJHZCJF-WPWMEQJKSA-N 446.551 5.386 30 10 IKEE Cc1cccc(CSc2nnc(CCCOc3ccccc3)n2/N=C/c2cccnc2)c1 1874317342 NYMVZVDGAUVSBV-OVVQPSECSA-N 443.576 5.168 30 10 IKEE C=CCSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1cn(C)c2ccccc12 1874321521 WJIBHXVRIJISHL-AFUMVMLFSA-N 431.565 5.126 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccc(C)cc3C)n2/N=C/c2ccccn2)cc1 1874325386 NADLSNGEWBTFDE-JFLMPSFJSA-N 443.576 5.352 30 10 IKEE Cc1ccc(CSc2nnc(CCOc3ccccc3)n2/N=C/c2ccccc2)cc1 1874345865 KVLCGRBFVIHQTI-NLRVBDNBSA-N 428.561 5.383 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2ccc(Cl)cc2)cc1 1874415467 RDQCXJMOLAPOQQ-WGOQTCKBSA-N 432.980 6.005 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(CC(C)(C)C)n2/N=C/c2ccccc2C)cc1C 1874436829 SAZUNKJIIPSMCC-CVKSISIWSA-N 449.624 5.405 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)(C)C)n2/N=C/c2cn(C)c3ccccc23)c1 1874438814 UYIDLRIFZSWMJI-JFLMPSFJSA-N 445.636 6.150 30 10 IKEE CC(C)(C)Cc1nnc(SCCc2ccccc2)n1/N=C/c1cc(Cl)ccc1O 1874439542 HGUSFCAVDOJKLT-BUVRLJJBSA-N 428.989 5.443 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(CCOC)nnc2SCc2ccccc2)cc1 1874472561 LQOUREHTEYBPBX-XIEYBQDHSA-N 438.597 5.211 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1c[nH]c2ccccc12 1874481250 VNGPEGIJTQFTSB-LGJNPRDNSA-N 441.963 6.069 30 10 IKEE CCCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1/N=C/c1ccc(C(C)C)cc1 1874511263 QXBMKOGNIKXIOV-JHKMYFMNSA-N 449.624 5.206 30 10 IKEE CC(C)(C)Cc1nnc(S)n1/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 1874560364 UHOKQIURHXMBBD-WYMPLXKRSA-N 449.407 5.923 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1OCc1ccccc1F 1874569767 GEYFHPXESREJSJ-MDZDMXLPSA-N 441.842 5.871 30 10 IKEE O=C(/C=C/c1cc(Br)ccc1OCc1ccccc1)c1cccc([N+](=O)[O-])c1 1874570436 YUOJJPLJMDDKLR-PKNBQFBNSA-N 438.277 5.832 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2)cc1C 1874574460 NUPABOPTFSJIRU-DHZHZOJOSA-N 435.907 5.571 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(C(C)C)cc2)c1OCc1ccccc1F 1874583556 TVQHZNWUGCIBRJ-OUKQBFOZSA-N 438.926 7.086 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(F)cc2)c1OCc1cccc2ccccc12 1874583840 JILWKCMRTDSTLA-SDNWHVSQSA-N 446.905 7.116 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc1OCc1cccc(C)c1 1874600437 MKZYMCKXZSFVQP-CSKARUKUSA-N 436.935 6.449 30 10 IKEE CCCOC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1OC 1874602834 BQGKMTKTKFHZCF-DHZHZOJOSA-N 442.939 5.456 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1Cl 1874608900 NCUPJUBVEGROSQ-PKNBQFBNSA-N 434.363 5.917 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(OC)c1OCc1cc(C)ccc1C 1874612301 NTRFUUZGNPMLPT-ZHACJKMWSA-N 436.935 6.449 30 10 IKEE COc1cccc(C(=O)/C=C/c2cccc(OC(=O)c3ccccc3Br)c2)c1 1874695420 ZWJMUBPGGROQSV-OUKQBFOZSA-N 437.289 5.573 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCc3ccc(Cl)cc3)c2)cc1 1874695776 RCVHFIGNTMBNKN-LDADJPATSA-N 446.974 7.117 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1OC(=O)c1ccc(F)cc1 1874707169 RVOAIJYLAIFIEW-OQLLNIDSSA-N 426.443 6.103 30 10 IKEE CCCCC1CCC(C(=O)Oc2cccc(/C=C/C(=O)c3c(C)cc(C)cc3C)c2)CC1 1874716244 JJUWTTFWYVVAFA-DTQAZKPQSA-N 432.604 7.410 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(F)c(C)c2)CSc2nnc(C(C)C)n21 1874846651 IMCPANCNWUYPJQ-FQEVSTJZSA-N 432.609 5.911 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OC(=O)Cc1ccc(C)cc1 1875095804 HXVPSVAWQBAOIZ-RVDMUPIBSA-N 436.507 6.201 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3C)c(OC)c2)c1 1875104123 HQNSCPPUOUYBQT-SDNWHVSQSA-N 430.500 5.447 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3ccccn3)c(OC)c2)cc1 1875106861 ODNYMOGJQXZWLB-NTCAYCPXSA-N 445.515 5.557 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc(OC)c1OC(=O)c1cccs1 1875108865 KBVZZUOOZIEPGF-PKNBQFBNSA-N 448.540 5.918 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(OC)cc2)cc1OCC 1875113372 YPXJWFYZKZCEPD-XNTDXEJSSA-N 444.955 6.519 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)C(F)(F)F 1875124752 AEXJHEWGFGICSW-ZZXKWVIFSA-N 434.744 5.381 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 1875129379 YZCUYFFUFLRODD-YRNVUSSQSA-N 437.835 5.372 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1cccnc1 1875133018 ZOLVMCAAWRGRMV-WEVVVXLNSA-N 442.298 5.902 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2[N+](=O)[O-])cc1 1875139497 LNTVGHXWGAIVJK-ZRDIBKRKSA-N 429.472 5.564 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)COc3cccc(C)c3C)c(Cl)c2)c1 1875139557 NZCWUDHYYMQCTH-ZRDIBKRKSA-N 448.946 6.454 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2OC)cc1 1875140033 MPZMDXLLEXKLBZ-NTEUORMPSA-N 444.527 5.755 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)c1ccccn1 1875157447 YUKQPGPWYASSIT-XNTDXEJSSA-N 441.527 6.057 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2Cl)c1 1875175486 RORNRJKBABYNJV-FMIVXFBMSA-N 434.919 6.471 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2)cc1 1875175762 FUJVEAPUQUBTMB-LDADJPATSA-N 442.555 6.527 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cccc(-c4cccc(F)c4)c3)cc21 1891174397 IBOSOCPTCVBROX-UHFFFAOYSA-N 444.506 5.683 30 10 IKEE O=C(Nc1cccc(-c2ccc(C(F)(F)F)cc2)c1)Nc1cc(C(F)(F)F)ccc1F 1892414672 DJUQZRPLUBOCOX-UHFFFAOYSA-N 442.334 7.174 30 10 IKEE CCCCCCCC[C@H](NC)c1c(Br)sc(Br)c1Cl 1923076324 QHDLKADMXQQVGM-JTQLQIEISA-N 431.665 6.938 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 1943912688 PAESFOTUNCFPCT-FDDCHVKYSA-N 433.524 5.297 30 10 IKEE CCCCCCC[C@@H]1C[C@H](C(=O)O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21 1952437451 LRHDWYLZALDGOU-NHCUHLMSSA-N 449.591 6.461 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@@H](NC(=O)OC(C)(C)C)C1(C)C 2013406953 LLWAUOCHJPAMQT-HOYKHHGWSA-N 429.561 5.322 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@H]3C[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)c1 2046019748 QCDKBHLHDFTRFC-WVSSGHNYSA-N 441.572 5.322 30 10 IKEE C#C[C@H](C)[C@@H](NCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071346429 TUMYQXNLZMFWNE-TXQOIQMMSA-N 429.560 5.125 30 10 IKEE CC(C)c1nn(Cc2cc(F)ccc2C(F)(F)F)c(C(F)(F)F)c1Br 2079040416 LKHCFYUYZBHAHB-UHFFFAOYSA-N 433.165 5.994 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(CC2CC2)C(=O)OC(C)(C)C)C12CCCCC2 2083810083 BZIVAKITKBGRIV-RUZDIDTESA-N 447.620 5.630 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)C1(C(F)(F)F)CCC1 2122752461 AMZJIXRUCOTMCF-AWEZNQCLSA-N 433.268 5.815 30 10 IKEE CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1Nc1ccc(Br)cc1C#N 2149853418 UFFLAQIUZCKWET-VQIMIIECSA-N 436.394 5.404 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1cnn(C(F)(F)F)c1 2175133830 KUJLMUKDSXRPSZ-AWEZNQCLSA-N 445.239 5.128 30 10 IKEE C=CCCCCCC[C@H](NCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2206901319 BDCPGCRRYRTRIJ-IBGZPJMESA-N 439.438 6.973 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C1 2220393805 RDEVZKZMGXUWFC-WOGXIUBCSA-N 447.551 5.495 30 10 IKEE C=C(COCc1ccccc1)[C@H](NC)c1c(NC(=O)OC(C)(C)C)cc(OC)cc1OC 2224057252 JGZMZMWOELYSCZ-QHCPKHFHSA-N 442.556 5.084 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](C#Cc1ccccc1Br)NCCC 2235747930 UTGKYMPNEPIEDY-VQTJNVASSA-N 435.406 5.028 30 10 IKEE CC1(C)OB(c2ccc(C(=O)N(Cc3ccccc3)CC3CCCCC3)cc2)OC1(C)C 2267267690 LNTZMHACMJRZQC-UHFFFAOYSA-N 433.401 5.209 30 10 IKEE CC(C)CN1C(=O)C(=Cc2ccc(-c3ccc(C(=O)O)cc3)o2)SC1=Nc1ccccc1 2293760671 GGPQGDDEVVCVMA-UHFFFAOYSA-N 446.528 5.905 30 10 IKEE CCN1C(=C2SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)Sc2ccccc21 2295176406 DGGWKBKZPUJPPX-UHFFFAOYSA-N 443.597 6.251 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]([C@H](C)CC)N(C)C(=O)OC(C)(C)C 2296289323 QJXOOKIQQAEGNF-NSISKUIASA-N 437.422 5.060 30 10 IKEE C=CCc1cc(C=C2SC(=Nc3cccc(Cl)c3C)NC2=O)cc(OCC)c1O 2297462854 SNMGRZFHHGGUDW-UHFFFAOYSA-N 428.941 5.373 30 10 IKEE O=C(C=Cc1c(F)cccc1Cl)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2314429724 NFEZUKMNAVTWPH-UHFFFAOYSA-N 425.799 5.503 30 10 IKEE O=C(C=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(NC(=O)c2ccccc2)c1 2314457008 QHBZIYVKZDUTIA-UHFFFAOYSA-N 438.439 6.003 30 10 IKEE CCCCCCC[S@@](=N)(=O)c1cc(I)ccc1Br 2316463151 OFDXGSKCAJECQL-GOSISDBHSA-N 444.176 5.430 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(SCc2cccc3ccccc23)nnc1C1CC1 2320868029 AVDKPPNCTGTTBC-UHFFFAOYSA-N 442.588 6.270 30 10 IKEE COC(=O)c1ccc(COc2ccc3c(c2C)OC(=CC=Cc2ccccc2)C3=O)cc1 2321856587 FGKDAVFUJUBLBY-UHFFFAOYSA-N 426.468 5.533 30 10 IKEE O=C1C(=CC=Cc2ccccc2)Oc2c1ccc1c2CN(CCc2c[nH]c3ccccc23)CO1 2321911366 UNHYRBFHGZPHRJ-UHFFFAOYSA-N 448.522 5.735 30 10 IKEE Cc1ccc(CN2COc3ccc4c(c3C2)OC(=Cc2cn(C)c3ccccc23)C4=O)cc1 2321958729 UAUKNRORPMKIRX-UHFFFAOYSA-N 436.511 5.455 30 10 IKEE CCOc1ccc(C=C2Oc3c(cc4c(c3C)OCN(CCc3ccccc3)C4)C2=O)cc1 2322286936 MYBCOQJCZUBARB-UHFFFAOYSA-N 441.527 5.405 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccccc2OCc2ccc(Cl)c(Cl)c2)c1 2322659422 LCJVKYHUEVNSEM-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE CCn1cc(C=C2Oc3cc(OC(=O)c4ccco4)cc(C)c3C2=O)c2cc(OC)ccc21 2322659676 OLZJYDNXTBKRPJ-UHFFFAOYSA-N 443.455 5.407 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1cc(C)c2c(c1)OC(=Cc1cccc(C)c1)C2=O 2322758563 MGIDISZTKVDPNK-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE COc1ccccc1C=C1Oc2cc(OC(=O)c3cc4ccccc4o3)cc(C)c2C1=O 2322842574 AAHSPOQAWXVALA-UHFFFAOYSA-N 426.424 5.585 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccccc1OCC(=O)Nc1ccc(F)cc1 2323022272 MIULZRFCAWJTGO-UHFFFAOYSA-N 439.870 5.401 30 10 IKEE Cc1c(OC(=O)C(Cl)(Cl)Cl)ccc2c1OC(=Cc1cccc(Cl)c1)C2=O 2323038292 NQVFUYGWVOOBAO-UHFFFAOYSA-N 432.086 5.540 30 10 IKEE CCOc1c(Br)cc(C=NNc2ccc(OC)cc2)cc1Br 2323069220 YSFZEUKGIKBPHL-UHFFFAOYSA-N 428.124 5.065 30 10 IKEE CCOc1ccc(CCC(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C)o2)C3=O)cc1OC 2323098201 UTSZIQCRCZOGTK-UHFFFAOYSA-N 448.471 5.150 30 10 IKEE Cc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1C 2323248218 PVVKVVNCOPQQIK-UHFFFAOYSA-N 426.512 6.571 30 10 IKEE COc1cc(C(=O)C=Cc2cccc(OCc3cc(C)ccc3C)c2)c(OC)cc1Cl 2323273908 RCGAXQRQMSEVEO-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OCC(=O)Nc2ccccc2C)c1 2323332296 VCQPNYTYORWIFS-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)cc1 2323371215 NUIVRQAPIVGREP-UHFFFAOYSA-N 432.447 5.297 30 10 IKEE CCCOc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1 2323459068 VHFIDVAHEZTPME-UHFFFAOYSA-N 444.458 5.850 30 10 IKEE CCCNC(=O)COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1OCC 2323530662 WIRGCTWCSBJZBO-UHFFFAOYSA-N 436.335 5.193 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)COc4ccc(Cl)cc4)cc(C)c3C2=O)cc1 2323536412 UEGANZXTEZAWSF-UHFFFAOYSA-N 448.902 5.811 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCc3cccc(F)c3)c(OCC)c2)cc1 2323556932 HQUKUWUQCZYSSV-UHFFFAOYSA-N 432.535 7.042 30 10 IKEE CCCCC1CCC(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2OC)C3=O)CC1 2323652068 KAYWNLROLXWADY-UHFFFAOYSA-N 448.559 6.522 30 10 IKEE CCCOc1c(Cl)cc(C=NNc2nc(-c3ccc(OC)cc3)cs2)cc1Cl 2323858316 GOPGUUUMTHPYFC-UHFFFAOYSA-N 436.364 6.360 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1[N+](=O)[O-] 2323858351 LMDQGUHONHSOHC-UHFFFAOYSA-N 438.524 5.135 30 10 IKEE Cc1ccccc1COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 2323888676 CGJUARAYHGVUAU-UHFFFAOYSA-N 442.298 6.685 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OCC(=O)N(CC)CC 2323959866 SQTBWZODXODWKZ-UHFFFAOYSA-N 435.564 5.184 30 10 IKEE O=C1C(=Cc2ccccc2OC(F)F)Oc2cc(OCCCOc3ccccc3)ccc21 2324234743 IGOQTXPEQZQYKT-UHFFFAOYSA-N 438.426 5.752 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)cc([N+](=O)[O-])c1OC 2324331329 GZZTZWSKEWVADP-UHFFFAOYSA-N 426.252 5.214 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)cc1C 2324628104 KQLUYHVLIXVDQU-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OCC(=O)Nc2cc(C)ccc2C)cc1 2324693854 MRFDNKUHLQAZOD-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(OC)c2OC)cc(OC)c1OCC(=C)C 2324725682 FZFDXSOUUPYMRC-UHFFFAOYSA-N 438.520 5.301 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2ccccc2Cl)cc1OC(=O)C(C)C 2325717398 FTNUZDUUPZRAHJ-UHFFFAOYSA-N 437.717 5.569 30 10 IKEE COc1ccccc1C(=O)C=Cc1cccc(OC(=O)c2ccc(OCC(C)C)cc2)c1 2325724350 OCTCAUNMDLDKQI-UHFFFAOYSA-N 430.500 5.845 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1OC(=O)Cc1ccc(Cl)cc1 2325729051 UAWAXDLFPCAXHX-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE CCCCCCC(=O)Oc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC 2325736913 CIPXKUJEVQCGDP-UHFFFAOYSA-N 435.347 6.774 30 10 IKEE Cc1cc(C(=O)C=Cc2cccc(OC(=O)c3ccc(Cl)c(Cl)c3)c2)ccc1F 2325741894 ZGQGKLIDZMAAFQ-UHFFFAOYSA-N 429.274 6.556 30 10 IKEE COc1cccc(CCC(=O)Oc2cc(C=CC(=O)c3ccc(F)cc3)ccc2OC)c1 2325751040 MLCCYYNURCDHNM-UHFFFAOYSA-N 434.463 5.277 30 10 IKEE CSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1ccccc1OC(C)C 2325925370 UKLSZGJPRDHXKT-UHFFFAOYSA-N 445.386 5.023 30 10 IKEE CCOc1cc(C=Nn2cnnc2SCc2cc(C)cc(C)c2)cc(Cl)c1OCC 2326393945 CEJMSKMZERPTAX-UHFFFAOYSA-N 444.988 5.520 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(OCC(C)C)cc1 2326570122 ZVUUZOVKIICYLD-UHFFFAOYSA-N 446.979 5.842 30 10 IKEE CCOc1ccccc1OCc1nnc(SCc2ccccc2)n1N=Cc1ccco1 2326834810 CYSKVXIPGKUZPZ-UHFFFAOYSA-N 434.521 5.023 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccc(Cl)cc3)n2N=Cc2ccccc2)cc1 2328010141 BVFYMDYZZWKRSK-UHFFFAOYSA-N 447.007 6.200 30 10 IKEE COc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2ccccc2)cc1 2328386517 QZRVJEKJOIEDMK-UHFFFAOYSA-N 430.533 5.040 30 10 IKEE Cc1ccc(CSc2nnc(CCCOc3ccccc3)n2N=Cc2cccs2)cc1 2328711775 DKVTYMKACQRSRG-UHFFFAOYSA-N 448.617 5.834 30 10 IKEE Clc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2cccs2)cc1 2329102766 HEEJBYJCXFTGBC-UHFFFAOYSA-N 439.009 5.801 30 10 IKEE Clc1cccc(CSc2nnc(COCc3ccccc3)n2N=Cc2ccncc2)c1 2329364094 YQFHTPNAFWWEKS-UHFFFAOYSA-N 449.967 5.218 30 10 IKEE COc1cccc(C=Nn2c(Cc3ccccc3F)nnc2SCc2cccc(C)c2)c1 2329717169 XYCACSPSXWCGBU-UHFFFAOYSA-N 446.551 5.500 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2-c2ccccc2)cc1 2330674778 CCPUTACOHJYZHU-UHFFFAOYSA-N 448.979 6.172 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)C3CCCC3)c(Br)c2)c1 2330785720 WKYYJHLNLGKHMG-UHFFFAOYSA-N 429.310 5.449 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(C3CCCC3)n2N=Cc2ccccc2F)o1 2331065736 XEIIWIYFCQDISQ-UHFFFAOYSA-N 442.516 5.019 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)c1cccc(C)c1 2331135917 XVEBAZFDQFCDGM-UHFFFAOYSA-N 446.930 6.501 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)c(Cl)c3)cc2)c1 2331240002 FGISIPLJXQTKDO-UHFFFAOYSA-N 441.310 6.507 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1cccc(Cl)c1 2331259645 GXUBGYOUJFZBNZ-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(C)(C)C)n2N=Cc2ccc(C(F)(F)F)cc2)c1 2331396530 KNOWCCAWGKORRZ-UHFFFAOYSA-N 446.542 6.386 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccccc3)c(Cl)c2)cc1 2331414624 UPHJEICGCJNYSA-UHFFFAOYSA-N 448.946 6.518 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2C2CCC2)cc1 2331480358 KTAWUAUFRFZCJA-UHFFFAOYSA-N 433.625 5.875 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1ccc(C=CC(=O)c2ccc(F)cc2)cc1Cl 2331520974 VENIOSPEFZNALA-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)CCc1ccc(CC)cc1 2331535373 SENAUZAICPGWER-UHFFFAOYSA-N 446.518 6.221 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)Cc2ccccc2)c([N+](=O)[O-])c1 2331665161 XEWXTKDPEIURHP-UHFFFAOYSA-N 445.471 5.264 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C(C)C)cc1OC 2331700481 QSNBPKDPOIAQGP-UHFFFAOYSA-N 430.961 5.247 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(SCc2ccc(C)cc2)nnc1C1CC1 2331717312 VSASJACCYZYDME-UHFFFAOYSA-N 428.561 5.800 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)c3ccccc3)cc2)c2ccccc12 2331866000 GBLVQVPHXFULAX-FQEVSTJZSA-N 436.507 6.454 30 10 IKEE CC(C)(C)OC(=O)N(CCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C(C)(C)C 2339599672 HIOQNANLGOJPLG-UHFFFAOYSA-N 446.397 5.141 30 10 IKEE CC1(C)OB(c2ccc(CSCCC3CC(F)C3)cc2Br)OC1(C)C 2349827157 BJNJPKYZNNASRS-UHFFFAOYSA-N 429.204 5.120 30 10 IKEE C=CCC(CC=C)[C@H](NCCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2364009663 BSBVOAONQQXXHN-FQEVSTJZSA-N 437.422 6.605 30 10 IKEE CCCN[C@@H](C#C[C@H]1CC1(F)F)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2366716606 XMJNGZXOEVIVIT-HOCLYGCPSA-N 443.332 5.495 30 10 IKEE CC1(C)CC(=O)C(=CNc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)C(=O)C1 20116393 XILTYDGFLWNMHB-UHFFFAOYSA-N 430.426 5.212 30 10 IKEE COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2Cl)c1 21225525 HQPKDKDYCKZSFB-WGDIFIGCSA-N 430.935 6.328 30 10 IKEE C=CCn1c(S[C@@H](C)C(=O)NC(C)(C)CC)nc2sc(-c3ccccc3)cc2c1=O 23405517 OXXLULHMGYGQGL-HNNXBMFYSA-N 441.622 5.096 30 10 IKEE COc1ccc(C(=O)/C=C\c2ccc(OC)c(COc3ccc(NC(C)=O)cc3)c2)cc1 33932559 QQBBNQFAOTXOQM-CPSFFCFKSA-N 431.488 5.137 30 10 IKEE Cc1ccc2c(C)c(C(=O)c3c(C)c(C#N)c(=O)n(Cc4ccccc4Cl)c3O)oc2c1 38626375 SKRJWHNTQFAGRR-UHFFFAOYSA-N 446.890 5.030 30 10 IKEE O=C1/C(=C/c2cccnc2)S/C(=N/c2nc(-c3ccccc3)cs2)N1C1CCCCC1 39866069 YZNLYUUACHFIIV-WSUVFPRVSA-N 446.601 6.142 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 40077760 WKPHMZQDVKXHKL-HSZRJFAPSA-N 435.564 5.761 30 10 IKEE Cc1ccc(N/C(=N\C(=O)c2ccc(C(F)(F)F)cc2)NCc2ccccn2)cc1C 46125493 BPDRQDGABIQWNB-UHFFFAOYSA-N 426.442 5.115 30 10 IKEE CC(/C=C1\S/C(=N/N=C\c2ccccc2)N(Cc2ccco2)C1=O)=C\c1ccccc1 47137309 VCKJKVIAIPWHTM-KAOOWNJMSA-N 427.529 5.733 30 10 IKEE Cc1cccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3c(C(=O)Nc4ccccc4C)cnn32)c1 64775593 ZWXQAHWHZDTBJO-XMMPIXPASA-N 440.547 5.410 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2ccc(C)c(NC(C)=O)c2)cc1 100408254 YNTFHRGARMPZBJ-UHFFFAOYSA-N 441.597 5.429 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(NC2CCCC2)c1[N+](=O)[O-] 101479436 KWUNLBXQKHFYDY-UHFFFAOYSA-N 447.668 7.633 30 10 IKEE CCCCCCCn1c([C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)nc2ccccc21 102104976 JGCVZHLXZUSGPX-IBGZPJMESA-N 433.552 5.298 30 10 IKEE CCCCCCCCCC(=O)NCCCN(C(=O)c1ccc(Cl)cc1)c1ccccc1 138834466 PLMYANBPGMSAJJ-UHFFFAOYSA-N 443.031 6.634 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 169926135 DMHLVFIUSYXLFL-JOCHJYFZSA-N 444.874 5.003 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccc(C)cc2)c1 169934760 SVUWJWWGMRJYRQ-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1Cc1cccs1 169939590 ZKEAMMQAGMAODW-HXUWFJFHSA-N 439.920 5.189 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cccc(OC(C)C)c1 169981073 FMMBNWURPDMKRY-HSZRJFAPSA-N 439.527 5.690 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2cccs2)cc1 169988655 IYOOOJXRDQNLKP-HXUWFJFHSA-N 439.920 5.189 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2cccnc2)cc1 170067809 KEDVONUFIBFDIV-QHCPKHFHSA-N 446.934 5.637 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@H]2c2ccco2)cc1C 170090947 XLSXGWNJZHKZDG-QHCPKHFHSA-N 445.515 5.677 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCc2ccc(F)cc2)o1 170102865 ZIPWJSZCYUQVBD-NRFANRHFSA-N 439.870 5.202 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2OC)cc1 170123803 QUPYWEVYJXYATL-QHCPKHFHSA-N 435.520 5.005 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2c2ccccc2O)c1 170141210 QTVDXCIUOMAJQM-XMMPIXPASA-N 443.499 5.271 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccc(C)c2)cc1 170142114 VZKPSXNCKBMVIV-XMMPIXPASA-N 427.500 5.485 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccn2)cc1C 170176369 GEDFGEOLSAYVOB-XMMPIXPASA-N 442.515 5.270 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1ccccn1)c1ccc2c(c1)CCCC2 170176913 GCBHFYHFKMPGMK-QHCPKHFHSA-N 446.453 5.022 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccncc2)cc1Cl 170202261 GZPIMFKKOVQSKW-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@@H]1c1ccccc1 170233199 CMLGOAGFKFIASH-NRFANRHFSA-N 446.572 5.887 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccccc2F)c1 170248747 PYIQNSTXTZQHTC-QHCPKHFHSA-N 447.462 5.103 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccco2)cc1 170281011 ZLYPYFGVXPYUQY-RUZDIDTESA-N 437.495 6.339 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2ccco2)cc1 170284339 KAGHVSXVAQXZRR-OAQYLSRUSA-N 437.879 5.423 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@@H]2c2ccco2)c1 170289146 DLJCCKDPKFYUQB-QHCPKHFHSA-N 447.487 5.172 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2ccco2)cc1C 170289155 DVMRTICJHKJXFR-HSZRJFAPSA-N 447.487 5.174 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@H]1c1ccco1 170294666 WKHVLOAHVDIETD-HSZRJFAPSA-N 431.488 5.155 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccco2)cc1 170296135 LVYJYAFGTRZGAV-QHCPKHFHSA-N 449.478 5.232 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccc(C)o2)cc1C 170301833 PVLLFZLNLONBIT-HSZRJFAPSA-N 431.488 5.305 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1sccc1C 170315610 GTSQHLYVJTYOKQ-AOMKIAJQSA-N 445.540 5.471 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(Cl)c(Cl)c2)c1 170380305 WVKPQJROZWWZNB-LJQANCHMSA-N 428.271 5.678 30 10 IKEE Cc1cccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(Nc3ccccc3)cc2)c1 170460697 VYUQKXKCYURQCK-DEOSSOPVSA-N 440.543 6.254 30 10 IKEE COc1ccccc1N=C1SCCCN1C(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 254750969 WJQBTRQHJWKXAD-INIZCTEOSA-N 433.577 5.568 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2c(C)[nH]c3ccccc23)c1 526489326 QTUNYMFRRPUFCA-RUZDIDTESA-N 435.483 5.414 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccs2)cc1OC 526516240 LZNQQAGCTPNOFU-QFIPXVFZSA-N 432.501 5.084 30 10 IKEE CCOc1ccc2ccccc2c1/C=N\n1cnnc1SCc1cccc2ccccc12 526820617 WVKVDRDHULHJLN-NTFVMDSBSA-N 438.556 6.158 30 10 IKEE CCc1ccccc1N(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586240057 QUJLTXMCWRMPCF-UHFFFAOYSA-N 445.371 5.823 30 10 IKEE CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]2CC[C@]2(C)[C@@H](C(=O)/C=C/c4ccccc4)CC[C@H]32)C1 642772537 FPGBQRAYOLMBRS-ZGHMXVDGSA-N 446.631 6.780 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@H](C#N)c1ccc(Cl)cc1Br 698422941 FDRVRIQJJWWKKV-GOSISDBHSA-N 435.749 6.104 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1cccc(C2CC2)c1 698483056 STCBISGEWAOLFF-HXUWFJFHSA-N 427.342 6.333 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1ccc(O)c(Cl)c1 698488103 JGOOZFDHACZOOS-INIZCTEOSA-N 437.721 5.814 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CC[C@H](C)N(C(=O)OC(C)(C)C)C2)cc1 698989675 TXBAZYMMZBECNL-XDHUDOTRSA-N 445.560 5.118 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)c(F)c1F)NCC 701300177 REVURTHBLVHNAD-JKSUJKDBSA-N 447.364 5.107 30 10 IKEE N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)c1nc(O)c2c3c(sc2n1)CCCC3 731287405 ALUAMVUYSCZGKW-VAMGGRTRSA-N 439.540 5.409 30 10 IKEE C=CCc1cc(/C=C2\S/C(=N/CC)N(CC)C2=O)cc(OC)c1OCc1ccccc1 1084413609 GNFNUEVPKUBEOA-QRPQPOARSA-N 436.577 5.315 30 10 IKEE CCN(CC)c1ccc(/C=C2/SC(=Nc3ccccc3)N(C3CCCCC3)C2=O)cc1 1084512369 XUJPLNYHMYEWOT-YUPKMSNSSA-N 433.621 6.470 30 10 IKEE O=C1[C@@H](Cc2ccc(Cl)c(Cl)c2)SC(=Nc2ccccc2)N1c1ccccc1 1772727873 MZUFJFJFUOVXKE-HXUWFJFHSA-N 427.356 6.372 30 10 IKEE O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=Nc2cccnc2Cl)N1c1ccccc1 1772732911 HSJJOLZWCZLKKX-SDWZUDADSA-N 436.880 5.452 30 10 IKEE CCc1ccc(NC(=O)Oc2cccc3c(NC(=O)c4cccc(C#N)c4)cccc23)cc1 1858780155 MEWJPGDQVOSOIR-UHFFFAOYSA-N 435.483 6.137 30 10 IKEE C=CCN(CC=C)C(=O)Nc1ncccc1O[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl 1858817272 QCNQUAILFMGFFL-CQSZACIVSA-N 449.338 5.000 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc3c(OC(=O)c4cccc([N+](=O)[O-])c4)cccc23)c1 1858929768 BACAPKIURUGZHP-UHFFFAOYSA-N 437.411 5.091 30 10 IKEE Cc1ccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)nn2Cc2ccc(Cl)cc2)cc1C 1859394516 ABNOVXURTNFALT-UHFFFAOYSA-N 440.934 5.993 30 10 IKEE Cc1cc(C(=O)Nc2c(C#N)cnn2-c2cc(C)c3ccccc3n2)c2cccc(C)c2n1 1859656780 BILVRGQZITZIIW-UHFFFAOYSA-N 432.487 5.018 30 10 IKEE C=CCOC(=O)c1sc(NC(=O)c2ccc3oc(-c4ccccc4C)nc3c2)nc1C 1859736898 BGUDTUSSQJLOQM-UHFFFAOYSA-N 433.489 5.163 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862394411 GDNQUIRYHSSAOV-MZNJEOGPSA-N 430.548 5.887 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(F)c1 1862444914 KAHXCIZYSGQQJY-MMACOIQUSA-N 427.903 5.636 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OCC)cc1 1862478618 MAKXELHJXXEWEX-RDGATRHJSA-N 449.591 6.331 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc(Br)c1 1862487987 ODBLRDAMVNDRAS-HXUWFJFHSA-N 442.353 5.526 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862501472 CWCSVRNNZKYSSP-OSPHWJPCSA-N 445.490 5.482 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(F)cc2)ccc1F 1862502285 VZQJRBQTTVUIGX-QFIPXVFZSA-N 425.475 5.574 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(OC)cc3)[C@@H]2c2ccccc2C)cc1 1862535022 ZGVWBWCSSQBNRH-RUZDIDTESA-N 441.527 5.345 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CC)cc1 1862554223 XYPPULOFDNWNSG-XMMPIXPASA-N 433.548 5.343 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(F)cc1F 1862583457 BNSGVDVUEDUDDI-SFHVURJKSA-N 440.273 5.650 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C2CCCCC2)cc1 1862616792 FPYVWEDOMJDBAE-DEOSSOPVSA-N 447.575 5.904 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2cccc(C)c2)cc1F 1862638655 GYBJNGMPEGKYMR-LERMDLETSA-N 437.511 5.300 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(F)cc1F 1862661124 PBKFVUFUYGFBKZ-JOCHJYFZSA-N 427.491 5.857 30 10 IKEE COc1cc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CCCCC2)ccc1O 1862665266 CKULEYCEZGCESZ-DEOSSOPVSA-N 449.547 5.435 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCOC(C)C)cc1 1862713289 LPWWGQDUAFOANG-XMMPIXPASA-N 429.516 5.152 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccc(C)c1 1862722685 WXEDSBUEGYXKIG-SANMLTNESA-N 439.555 6.431 30 10 IKEE COc1ccc(NC2=C(c3cccc4ccccc34)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862849334 JWDDSSAETVKHSJ-UHFFFAOYSA-N 445.478 5.117 30 10 IKEE Cc1cc(C2=C(Nc3cc(Cl)ccc3C)C(=O)N(c3ccccc3C#N)C2=O)ccc1F 1863100252 DWPPOHGWDOEQDG-UHFFFAOYSA-N 445.881 5.364 30 10 IKEE N#Cc1cccc(N2C(=O)C(Nc3cccc(Cl)c3)=C(c3c[nH]c4ccccc34)C2=O)c1 1863131914 QWWCZUJTPVTWCN-UHFFFAOYSA-N 438.874 5.090 30 10 IKEE N#Cc1cccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(C3CCCCCCC3)C2=O)c1 1863172977 GLYTVZLCOZKAJW-UHFFFAOYSA-N 433.939 5.517 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(Nc2ccccc2C#N)=C(c2cc(C)ccc2C)C1=O 1863409046 WEOJVCBSLVGMOE-OAQYLSRUSA-N 429.564 5.726 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2cc(C)ccc2C)=C(c2ccccc2F)C1=O 1863648286 VPISXIGDKDMXKY-UHFFFAOYSA-N 436.571 5.673 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)c2c[nH]c3c(C(C)C)cccc3c2=O)c1 1866419996 JUQQDUWGKPEQJI-UHFFFAOYSA-N 449.510 5.315 30 10 IKEE Cc1ccc([C@@H](CC(=O)N[C@H](C(=O)Nc2ccccc2C#N)c2ccccc2)C(C)C)cc1 1866742537 DQFPTPQWQTUFQL-IGKIAQTJSA-N 439.559 5.493 30 10 IKEE CCCc1nc(Nc2cccc(C#N)c2)cc(N2C[C@@H](CC)Cc3cc(OC)ccc32)n1 1868377781 BCDLHPBMQRUXRZ-SFHVURJKSA-N 427.552 5.773 30 10 IKEE CCCCCCCCn1cc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c(O)cc1=O 1870118655 NWZSEUFNIUNVSI-ABVOBTCJSA-N 428.617 5.249 30 10 IKEE CC(C)c1ccc(/C=C/C(=O)Nc2c(C#N)nnn2-c2ccc(Oc3ccccc3)cc2)cc1 1870143532 QEZVPRIWHXTYEZ-LICLKQGHSA-N 449.514 5.707 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc(F)c2)cn1CCC1=CCCCC1 1870616340 TZQURWQSOKHBGJ-UHFFFAOYSA-N 436.571 5.631 30 10 IKEE C=CCOc1cn(Cc2ccccc2C)c(CNc2ccc(OCCCC)cc2)cc1=O 1870809824 XKTPBTUDLJNZBO-UHFFFAOYSA-N 432.564 5.561 30 10 IKEE C=CCn1cc(OCCc2ccc(OC)cc2)c(=O)cc1CNc1ccc(C)c(Cl)c1 1871051811 YWLCNXCDXWWUJF-UHFFFAOYSA-N 438.955 5.238 30 10 IKEE O=C1/C(=C/c2ccccc2)Oc2c1ccc1c2CN(Cc2cccc(C(F)(F)F)c2)CO1 1871345180 WERXXCDMARBDSE-UUYOSTAYSA-N 437.417 5.674 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1cccc(F)c1)C3=O)CN(CCCCc1ccccc1)CO2 1871358779 CAWKPNMYAJSXBE-MYYYXRDXSA-N 443.518 5.925 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)c1 1871388792 DEZQVTUINKXQLH-QRVIBDJDSA-N 442.467 5.454 30 10 IKEE CCCCCCOc1ccc2c(c1C)O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O 1871399283 FXHCFBXTGWSUID-MTJSOVHGSA-N 428.912 6.090 30 10 IKEE Cc1c(O[C@@H](C)C(=O)Nc2ccc(F)cc2)ccc2c1O/C(=C\C=C\c1ccccc1)C2=O 1871401283 YVUUQWVUYJFNPS-DWLCAJGSSA-N 443.474 5.713 30 10 IKEE Cc1ccc(OCCCOc2cc(C)c3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871404636 AVPNTIHKKBZURX-IWIPYMOSSA-N 434.919 6.421 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccncc1)C2=O 1871414341 SRYSFQIDNFXIGD-BDQMVGTNSA-N 448.906 5.374 30 10 IKEE CCCCCCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1cn(C)c3ccccc13)C2=O 1871421578 GUOOSYCJHUHKRL-OYKKKHCWSA-N 447.531 5.605 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O)Nc1ccc(Cl)cc1 1871441050 VIXDIPMTLNPWFI-NHDPSOOVSA-N 440.282 5.627 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4C(C)C)ccc3C2=O)c1 1871456169 QATRIQUIRONHDX-QFEZKATASA-N 427.500 5.752 30 10 IKEE Cc1ccc2oc(=O)cc(COc3ccc4c(c3)O/C(=C\c3ccccc3F)C4=O)c2c1 1871460498 PQNNQGPKDAUCEY-MYKKPKGFSA-N 428.415 5.436 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)c1 1871460678 ZKRUVSRYJCFKKT-QFEZKATASA-N 442.515 5.003 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(F)cc2)[nH]c(N2CCC[C@H](C)C2)n1 1871515577 BRZOVWJBPHSEKG-FQEVSTJZSA-N 442.627 5.965 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(OC)cc2)[nH]c(N2CCC(C)CC2)n1 1871561639 PTOSXFBDXOFZPZ-UHFFFAOYSA-N 426.609 5.054 30 10 IKEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1871824426 JPERALKAQOVWPG-NRFANRHFSA-N 442.625 5.329 30 10 IKEE CCCCC1CCC(C(=O)[C@@H](C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)CC1 1872759651 VHOVNGLHKJLANZ-LRARRHDQSA-N 442.628 7.650 30 10 IKEE COc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(OC)c1 1872762528 PJDFTTQJAFCZNN-INIZCTEOSA-N 447.343 5.553 30 10 IKEE N#C[C@@H](C(=O)/C=C/c1ccc(Cl)cc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872763605 PYIOAZRKBORROO-YCOJEUHLSA-N 444.299 5.915 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)n2)cc1 1872770576 YKWMERQUXQCBSM-PCANVONCSA-N 433.489 5.397 30 10 IKEE COc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3cc(C)ccc3OC)cs2)c(OC)c1 1872770920 IEBMWOKQNWMWON-XSBJJCPUSA-N 434.517 5.034 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)cc1Cl 1872789649 PVCMTFHPSRZXJH-CQSZACIVSA-N 427.869 5.179 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(-n3cccc3)cc2)C(=O)N([C@H](C)CC)C1=O 1873037628 ZCIPVUXQLOVRFC-JOCHJYFZSA-N 449.639 6.086 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(OCCC)cc2)=C(c2cccnc2)C1=O 1873269392 UBEPCMDGBBEYJD-UHFFFAOYSA-N 435.568 5.423 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(OCC(C)C)cc2)=C(c2cccc(Cl)c2Cl)C1=O 1873341462 IGRYCFLINUHSAG-UHFFFAOYSA-N 445.346 5.406 30 10 IKEE C=CCN=c1nc2c(cnn2-c2ccccc2)c(Nc2ccc(Cl)c(C(F)(F)F)c2)[nH]1 1873469963 QDPGWXWHSPQPPS-UHFFFAOYSA-N 444.848 5.251 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)c1cc2ccccc2o1)c1ccccc1 1873934871 BKCQMZUISKOGCM-VWLOTQADSA-N 434.580 6.161 30 10 IKEE Cc1ccc(OCCCc2nnc(SCc3ccccc3)n2/N=C/c2cccn2C)cc1 1874252317 LQKSQFHFDQOXQX-NLRVBDNBSA-N 445.592 5.111 30 10 IKEE Cc1ccc(CSc2nnc(Cc3cccc4ccccc34)n2/N=C/c2ccncc2)cc1 1874268099 GXSITGHEWGTFCY-RDRPBHBLSA-N 449.583 5.900 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1ccc(Cl)cc1 1874327439 NTVUNTJVUKUBDY-WYMPLXKRSA-N 426.973 5.678 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2)n1/N=C/c1ccc(F)cc1F 1874362526 JELRDXLKRMEBHA-LQKURTRISA-N 448.542 5.824 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccccc2)cc1 1874407229 LRRNGNUZCATZCY-LFVJCYFKSA-N 435.553 5.484 30 10 IKEE Fc1ccccc1/C=N/n1c(SCc2c(F)cccc2Cl)nnc1-c1cccs1 1874425770 ZFTSLDDPYICTDZ-BHGWPJFGSA-N 446.935 6.113 30 10 IKEE COC(=O)c1ccc(/C=N/n2c(SCc3ccccc3C)nnc2C2CCCC2)cc1 1874452451 WJDCZLNUKLWWIA-MFKUBSTISA-N 434.565 5.205 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C(F)(F)F)cc1 1874463122 UKOIVLQKKPZHTO-AUEPDCJTSA-N 426.851 5.133 30 10 IKEE Clc1ccccc1CSc1nnc(-c2ccco2)n1/N=C/c1cccc2ccccc12 1874467155 UJJMDOFLABUJNA-CVKSISIWSA-N 444.947 6.519 30 10 IKEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3CC)nnc2C(C)(C)C)cc1 1874483490 YOGVDEKXBHNIRD-WGOQTCKBSA-N 449.624 5.313 30 10 IKEE CCSc1nnc(CC(C)C)n1/N=C/c1ccc(OCc2ccc(C)cc2)c(OC)c1 1874487897 KISWMLVGZPKCJN-MFKUBSTISA-N 438.597 5.367 30 10 IKEE CC(C)Cc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(C(C)C)cc1 1874492024 VDPBQWDBZLHZMJ-LGJNPRDNSA-N 445.007 6.567 30 10 IKEE CCCOc1c(/C=N/n2c(SCc3cccc(C)c3)nnc2C2CC2)cccc1OC 1874516417 WLNDUFRQZLNSBX-MFKUBSTISA-N 436.581 5.436 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc3ccccc3c2)c1OCC(=O)NCc1ccco1 1874571406 LRAAKBWAJHSTQS-BUHFOSPRSA-N 441.483 5.033 30 10 IKEE C=C(C)COc1c(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(Br)cc1OC 1874571524 RTUUNHOVJBFWCP-BQYQJAHWSA-N 432.270 5.217 30 10 IKEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(Cl)cc1)NCc1ccco1 1874578662 ZYYXDHZNESJNLR-WEVVVXLNSA-N 430.287 5.178 30 10 IKEE CCCOC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1cc(OCC)ccc1OCC 1874587478 OPPZRLOUVDDYGT-JXMROGBWSA-N 446.927 5.366 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccccc2OCC(=O)N[C@H](C)c2ccccc2)c(C)c1 1874589118 USFMAUPAUYQMTM-JXVRESAISA-N 427.544 5.764 30 10 IKEE O=C(COc1cccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1)NCc1ccco1 1874600932 KGAVWGDALKHVSG-RMKNXTFCSA-N 430.287 5.178 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(Cl)c1OCc1cccc(C)c1 1874603623 WVESMXVZDOHZHF-JLHYYAGUSA-N 446.974 7.011 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCc3nc(O)c4ccccc4n3)c(OC)c2)cc1 1874605418 YYYBIQKXENPQKW-GXDHUFHOSA-N 440.499 5.382 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(Cl)c3)c(OCC)c2)cc1 1874607293 GYRVUTWXVJHTPS-FOWTUZBSSA-N 448.990 7.556 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1 1874620180 MYJLDRSEPGBIKC-NTCAYCPXSA-N 429.516 5.480 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3sccc3C)c2)cc1F 1874707077 MZBHEENNAPXWDV-QPJJXVBHSA-N 426.465 5.328 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1cccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)c1 1874713497 ZIXKZDZTLRRVRV-OUKQBFOZSA-N 446.499 5.445 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3ccccc3)c2)c(OCC)c1 1874714661 ILHUFGHEYINGOT-DTQAZKPQSA-N 446.499 5.365 30 10 IKEE CCCCCCCCC(=O)Nc1cccc(C(=O)CCN2CCN(c3ccccc3)CC2)c1 1874729005 YCUQNUPKBBXSPB-UHFFFAOYSA-N 449.639 5.771 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc(Cl)c1OC(=O)C(C)C 1875099409 HGEYUHYCARWQSS-VQHVLOKHSA-N 432.900 5.213 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H]3C[C@H]3c3ccccc3Cl)cc2)cc1 1875112889 RVVBAZSLKDMNCB-YPAIRTFNSA-N 432.903 5.954 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc4ccccc34)c(OC)c2)cc1 1875115111 MVMFYZWMVACWKA-MHWRWJLKSA-N 438.479 5.972 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] 1875124487 NOTYJSSTMJZUAX-FMIVXFBMSA-N 435.863 5.683 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)Cc1ccc(C)cc1 1875132182 JEMXRHVCHBWIMN-JLHYYAGUSA-N 434.919 6.010 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Br)c1OC(=O)CC(C)(C)C 1875136503 BTHJYUOTBKTALI-DHZHZOJOSA-N 445.353 6.004 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)c1ccc2c(c1)OCO2 1875140127 QWNNNRORXCSMHZ-RMKNXTFCSA-N 430.456 5.156 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)C3CC3)c(Br)c2)cc1 1875148201 GBNSSOOAAHPGLZ-UUILKARUSA-N 427.338 5.958 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)c1ccccc1C 1875158622 FMZDBYLJVOXCGJ-XNTDXEJSSA-N 430.475 5.987 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)CCCSC)cc2)c1 1875171934 UZXLNSIOZXIFJL-GXDHUFHOSA-N 428.550 5.429 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cccnc3-c3ccsc3)ccc21 1891288049 XZZIVSGQDKNGKB-UHFFFAOYSA-N 433.533 5.000 30 10 IKEE C#CCCN(CC(C)(C)C)C(=O)[C@H](CC)NC(=O)OCC1c2ccccc2-c2ccccc21 1901530919 MZWDXVNFFKIMMQ-VWLOTQADSA-N 446.591 5.202 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(C)cc(Br)c1F 1926705954 BBIAURQPZOHNPE-WMZOPIPTSA-N 429.374 5.407 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 1943915456 GJWWGBFSLGFFNG-CYFREDJKSA-N 429.561 5.548 30 10 IKEE C#CCCCCC[C@@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 1947484325 JMSKEYWWBMQJDJ-ZEQRLZLVSA-N 430.633 5.439 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@](C)(C#N)[C@@]1(C)CCN1C(=O)OC(C)(C)C 1978218119 KJOGKDPFVOFKBL-YADHBBJMSA-N 435.590 5.167 30 10 IKEE CC1(C)CC[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)[C@@H](OCc2ccccc2)C1 1998838210 AQQGZVGJFIGLEW-PGRDOPGGSA-N 440.506 5.844 30 10 IKEE C=CC1(C[C@H](CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)NCCC)CCC1 2002631714 AHBORHDEYYAGEL-HSZRJFAPSA-N 429.649 5.128 30 10 IKEE CCC[C@@H]1CC[C@@H](C#N)[C@H](N(OCc2ccccc2)C2CN(C(=O)OC(C)(C)C)C2)C1 2006996512 VQUMLUVVCNQTJC-UNWVZKJWSA-N 427.589 5.148 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C12CCC2 2008161934 DPFSBLUFDCGBMF-XMMPIXPASA-N 433.593 5.382 30 10 IKEE CC[C@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 2014647360 QRIQXCPCZYTFMA-JPYJTQIMSA-N 449.979 5.763 30 10 IKEE C=C([C@@H](NCCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)C(C)(C)C 2035436470 YRAQOMAOYUWERL-HSZRJFAPSA-N 443.676 5.516 30 10 IKEE C=C1CCC(C[C@H](C[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)NCCC)CC1 2035459049 YVROVDBGCSNWCF-JWQCQUIFSA-N 444.660 5.991 30 10 IKEE CC1(C)CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)[C@H](OCc2ccccc2)C1 2043777088 MAVNLFXWHQJEMV-YIXXDRMTSA-N 434.580 6.486 30 10 IKEE CCCCCCCCC=CCCCCCCCC(=O)N[C@@H](CO)Cc1ccc(O)cc1 2051896055 ICDMLAQPOAVWNH-RUZDIDTESA-N 431.661 6.449 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)CC[C@H]1C 2076318226 NYXVZGVWELCXHB-CLOONOSVSA-N 443.588 5.666 30 10 IKEE Cc1ccc([C@H](n2nc(C(C)C)c(C#N)c2I)C2(C)CC2)cc1F 2079088885 LASKIMILBQANNN-KRWDZBQOSA-N 437.300 5.320 30 10 IKEE CC(C)(C)c1nn(Cc2ccc(F)c(C(F)(F)F)c2)c(Br)c1C(F)(F)F 2079834926 VCRUVENLEYCAJU-UHFFFAOYSA-N 447.192 6.168 30 10 IKEE Cc1cc(C)c([C@@H](C2CCC2)n2nc(C(F)(F)F)c(C#N)c2Br)c(C)c1 2079842720 AHGGTRYTPHRMPG-MRXNPFEDSA-N 426.280 5.851 30 10 IKEE CC(C)[C@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)(F)F)c(N)c1Br 2079848107 CSUNRFAYSVMUAH-LLVKDONJSA-N 448.180 5.650 30 10 IKEE COc1ccc([C@@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C2(C)CC2)c(C)c1 2079926076 WOQXJSYABMXZAW-GOSISDBHSA-N 432.362 5.212 30 10 IKEE COc1c2c(nc3c(-c4ccc(C(F)(F)F)c(F)c4)c(C(F)(F)F)nn13)CCCC2 2081535784 WPOLBBXLVFAJQB-UHFFFAOYSA-N 433.327 5.460 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@]1(O)CN(Cc2ccccc2)C2(CCCCC2)C1 2100074123 HSZZMBFGYOOFGU-LMSSTIIKSA-N 448.651 5.077 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)[C@@H]1[C@@H]2CCC(F)(F)[C@@H]21 2119359877 RGETUSGKVQLHID-FZKCQIBNSA-N 427.289 5.374 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCOCC12CCCC2 2149668532 QCUJDDQGNMEWEJ-NRFANRHFSA-N 435.362 5.434 30 10 IKEE CC(C)(C)OC(=O)N1CCCc2cc(Nc3cc(Br)cnc3C#N)ccc21 2167618099 WJDSLDRPZOLCRC-UHFFFAOYSA-N 429.318 5.147 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCCCN2c2cc(Br)ccc2C#N)CC1 2178251617 CABGSNKJHDMSCP-UHFFFAOYSA-N 434.378 5.081 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](Nc2ccc(C#N)c(Br)c2F)[C@H]2CCCC[C@H]21 2179389724 IHXFSAROVMUKKK-VNQPRFMTSA-N 438.341 5.050 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Br)c2ccccc12 2180891785 QTIPLZKYTJNMER-GOSISDBHSA-N 433.346 5.400 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 2208966786 OPNCXKFAKRIARK-CEYNDMKZSA-N 443.588 5.351 30 10 IKEE C=CCCC[C@@H](NC)c1sc(Br)c(Br)c1Br 2212199311 BEQBEWYOYUFVOA-SSDOTTSWSA-N 432.019 5.652 30 10 IKEE NC1(CC#Cc2sc(Br)c(Br)c2Br)CCCC1 2216496070 YDFPUTHZYRRSEC-UHFFFAOYSA-N 442.014 5.049 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1cc(F)ccc1Cl 2268128821 KFMSDYBYLXCVMF-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cccc(Cl)c1Br 2272003801 KNWSMHCHCBHIAI-SJLPKXTDSA-N 445.829 6.003 30 10 IKEE C=CC[C@@]1(COc2cccc(Br)c2N)CCCN(C(=O)OC(C)(C)C)C1 2272151766 WUUJCRHUXGYZLH-HXUWFJFHSA-N 425.367 5.004 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(F)cc(Br)c1F 2272733938 OHOBCOGTZGHMRS-RDJZCZTQSA-N 433.337 5.237 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)cc(C(C)(C)C)c1 2288660017 QKUWAVHAVYDJPX-MOPGFXCFSA-N 439.438 5.867 30 10 IKEE CN(C(=O)OC(C)(C)C)C1(C[C@H](O)C#Cc2cccc(Br)c2)CCCCC1 2296228202 WOKDIXXZCLKOAA-LJQANCHMSA-N 436.390 5.121 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)C[C@H](C)CCNC(=O)OC(C)(C)C 2296266141 DVHPTBZUIFGADK-XLIONFOSSA-N 437.422 5.110 30 10 IKEE CN[C@H](C#Cc1cccc(Br)c1)CCC[C@@H](NC(=O)OC(C)(C)C)C(C)C 2296278544 FRMQKBFRWJHVTA-VQTJNVASSA-N 437.422 5.108 30 10 IKEE CN=C1SC(=Cc2cn(CCOc3cc(C)ccc3C(C)C)c3ccccc23)C(=O)N1C 2297462910 BFYQUYGGYFENII-UHFFFAOYSA-N 447.604 5.684 30 10 IKEE N#Cc1c(N=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)sc2c1CCCC2 2297635266 BEDYMOVYCJRJAY-UHFFFAOYSA-N 431.948 5.820 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O)c1ccc(F)cc1 2314437666 SKSJIJRLGOEJIG-UHFFFAOYSA-N 436.438 6.328 30 10 IKEE CC[C@]1(C)N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2315232247 SQVOUZAEHKCVJQ-ZEQRLZLVSA-N 447.551 5.639 30 10 IKEE N[C@@H](C#CC1CCC1)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2315708560 UYTZUXKGODWYJW-LBNVMWSVSA-N 427.544 5.009 30 10 IKEE COc1cccc(C(=O)C=CC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1 2320933903 TURWKHSHBRAXHF-UHFFFAOYSA-N 428.513 5.658 30 10 IKEE Cc1ccc(C)c(COc2cc(C)c3c(c2)OC(=Cc2c(Cl)cccc2Cl)C3=O)c1 2321759911 KBMKGQZAPJEFHX-UHFFFAOYSA-N 439.338 7.114 30 10 IKEE C[C@H](c1ccccc1)c1nnc(S)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2321962601 UVKSHMVIMIVNPA-QGZVFWFLSA-N 448.979 5.833 30 10 IKEE COc1ccc([C@H](C)N2COc3ccc4c(c3C2)OC(=Cc2cccc(C)c2)C4=O)cc1 2322239864 OVWFXGWCQWWSPB-SFHVURJKSA-N 427.500 5.533 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccccc2OCCc2ccccc2)cc1OCCC 2322502339 LBGZDVAGJIGOQZ-UHFFFAOYSA-N 444.571 6.782 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccccc2)c1OCC(=O)N[C@H](C)c1ccccc1 2322545716 WJFJMOWMLJWEHB-GOSISDBHSA-N 449.934 5.501 30 10 IKEE Cc1ccccc1COc1ccc2ccccc2c1C=CC(=O)c1cccc2ccccc12 2322722510 VWQRPWCINSZQKT-UHFFFAOYSA-N 428.531 7.777 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OC(=O)c3ccccc3Cl)cc(C)c2C1=O 2322725183 NNWVPPIDZZOENX-UHFFFAOYSA-N 434.875 5.883 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc(OC(=O)c3ccc(C(C)(C)C)cc3)c2C)C1=O 2322736667 BVOFSUBAKDACQP-UHFFFAOYSA-N 442.511 6.137 30 10 IKEE O=C(COc1ccc2ccccc2c1C=CC(=O)c1ccc(F)cc1)Nc1ccccc1F 2322748112 AJMRSUBYWKXAJK-UHFFFAOYSA-N 443.449 6.032 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OC(=O)c3cccc(Br)c3)ccc2C1=O 2322930323 BCROPZULEYQLMV-UHFFFAOYSA-N 441.302 5.654 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cc(C)cc(C)c3)cc2)cc1 2323829130 ZZHHDQDWOWQCDE-UHFFFAOYSA-N 429.516 5.616 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2Cl)o1 2323854719 SNCXPZLYJCHQNL-UHFFFAOYSA-N 438.907 6.202 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2Cl)o1 2323943755 AICHLPMJDWICIJ-UHFFFAOYSA-N 438.907 6.202 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)ccc1OCc1ccc(Cl)cc1 2324054962 SXICEZVWIIICKM-UHFFFAOYSA-N 436.891 5.595 30 10 IKEE C=C(C)COc1c(Cl)cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc1OCC 2324266014 GHWNLMKTPNJXDM-UHFFFAOYSA-N 442.983 7.030 30 10 IKEE COc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1OC 2324672605 CYQNCDSRZDKKEF-QGZVFWFLSA-N 429.501 5.198 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OCc2ccccc2Cl)c(Cl)c1 2324696923 PPMKZCGCEQRNFK-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE CCCC[C@@H](Oc1ccc2c(c1C)OC(=Cc1ccc(N(CC)CC)cc1)C2=O)C(=O)O 2324784492 DGLVHSQGRAABQR-JOCHJYFZSA-N 437.536 5.480 30 10 IKEE Cc1ccc(NC(=O)CCOc2cc(C)c3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2325227427 QDVJAKYEXIWEAK-UHFFFAOYSA-N 447.918 5.981 30 10 IKEE COC(=O)c1ccc(COc2ccc3c(c2)OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)o1 2325373107 WECWAUFQJYRCAS-UHFFFAOYSA-N 432.472 5.559 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(Br)cc1 2325603986 HBALOYCTFWBHFG-UHFFFAOYSA-N 435.778 5.431 30 10 IKEE CCOc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1 2325704856 JMARCINLNNFAMG-UHFFFAOYSA-N 449.890 5.372 30 10 IKEE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2cccc(C=CC(=O)c3ccccc3Cl)c2)cc1 2325717719 ZYPXDPSOGJHXFP-IBGZPJMESA-N 448.946 6.732 30 10 IKEE Cc1cc(C(=O)C=Cc2cccc(OC(=O)c3ccccc3Br)c2)ccc1F 2325741891 YDTYTNVAHHHWEK-UHFFFAOYSA-N 439.280 6.012 30 10 IKEE CCOc1cc(C=Nn2c(C)nnc2SCc2ccccc2)cc(Cl)c1OCC 2326211657 GSNMUJDLYKYMQT-UHFFFAOYSA-N 430.961 5.212 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1cccc(OC)c1O 2328179694 FQRLDQSPLAJSAW-UHFFFAOYSA-N 428.602 5.617 30 10 IKEE C=C(C)CSc1nnc(COc2cccc(C)c2C)n1N=Cc1ccc(F)cc1F 2328846270 JRWAMQKAEACQEI-UHFFFAOYSA-N 428.508 5.303 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2N=Cc2cccc(O)c2)c1 2329405489 HSCUFIUBKYOGFU-UHFFFAOYSA-N 442.588 5.674 30 10 IKEE Cc1ccc(C=Nn2c(Cc3ccc(C)cc3)nnc2SCc2ccccc2Cl)cc1 2330004177 DVEOJGADERWVDC-UHFFFAOYSA-N 447.007 6.314 30 10 IKEE CCCOC(=O)CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1ccc(Cl)cc1 2330149982 XHUUVAIYLUOTHI-INIZCTEOSA-N 442.972 5.011 30 10 IKEE CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1C=NNC(=S)NC1CCCCC1 2330458170 YGVONPJVQPAHQL-UHFFFAOYSA-N 445.942 5.261 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cnccn2)c(Cl)c1)c1ccc(-c2ccccc2)cc1 2330599863 CTIAXXHFTQXXOV-UHFFFAOYSA-N 440.886 5.912 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1ccc(F)cc1 2330674993 ZOPNPVIQQOXEHQ-UHFFFAOYSA-N 426.443 6.103 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(CC)cc2)cc1OCC 2330765545 SZILIYAICXXSDZ-UHFFFAOYSA-N 436.592 7.200 30 10 IKEE CC(C)c1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2cccc(Cl)c2)cc1 2330873330 WQUZVLPUUFFMTC-UHFFFAOYSA-N 441.044 6.818 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1F 2331092989 NQESYADNIQNPJC-UHFFFAOYSA-N 443.789 5.642 30 10 IKEE Fc1ccc(CSc2nnc(C(F)(F)F)n2N=Cc2c(Cl)cccc2Cl)cc1 2331116004 ZOGHYGJMHKBHIK-UHFFFAOYSA-N 449.260 5.917 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)cc1 2331189766 ABDLLGSYVQNBCR-UHFFFAOYSA-N 431.444 5.417 30 10 IKEE O=C(Cc1ccc(F)cc1F)Oc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1 2331238593 BHCOZMIBMWEJNI-UHFFFAOYSA-N 447.264 6.316 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)cc2)c1 2331315939 JWUFGOBEGFESMT-JOCHJYFZSA-N 442.555 6.696 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(C(F)(F)F)cc1 2331371760 HMAJKROCWSRORE-UHFFFAOYSA-N 436.478 5.908 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(C)(C)C)n2N=Cc2c(Cl)cccc2Cl)c1 2331397500 JKQFHJQGSUYZIF-UHFFFAOYSA-N 447.435 6.674 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(F)c2)ccc1OC(=O)c1cccs1 2331464095 XMQHTSNRQXERPM-UHFFFAOYSA-N 426.465 5.410 30 10 IKEE CCCOc1cccc(C=Nn2c(CC(C)C)nnc2SCc2ccc(Cl)cc2)c1 2331468132 BAYFXWANDGTTOB-UHFFFAOYSA-N 443.016 6.093 30 10 IKEE CSc1nnc(C(C)C)n1N=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2331667934 SIBJNXGDNXHSSZ-UHFFFAOYSA-N 435.380 5.891 30 10 IKEE CCSc1nnc(C(C)C)n1N=Cc1c(OCc2ccccc2)ccc2ccccc12 2331691912 PSQBUZMBGPSHGC-UHFFFAOYSA-N 430.577 6.128 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2ccc(C=CC(=O)c3c(C)cc(C)cc3C)cc2)c1 2331762880 ZQDJFFUHKSTONE-UHFFFAOYSA-N 444.527 5.673 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(Cl)c2)cc(Cl)c1OC(=O)C1CCC1 2331832152 RZZNEFYYEMVEJU-UHFFFAOYSA-N 449.330 6.002 30 10 IKEE N#Cc1ccc(NCc2ccc(Cl)c(I)c2)c(Br)c1 2337220346 CDIXMMFMPGIRJV-UHFFFAOYSA-N 447.501 5.191 30 10 IKEE CC[C@@H](Nc1ccccc1OCc1ccccc1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363844077 NIVHAFFOXSVBTI-XMMPIXPASA-N 443.396 6.128 30 10 IKEE CC1(C)OB(/C=C/c2ccc(Oc3ccc(Br)cc3Cl)nc2)OC1(C)C 2365118698 GRLCQNPLQKUZQE-MDZDMXLPSA-N 436.542 5.934 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1c(C)c(C)c(Br)c(C)c1C 2375338448 IRNQITRBXSWHAW-FXAWDEMLSA-N 439.438 5.803 30 10 IKEE CSc1cc(Nc2ccc(Cl)c(I)c2Cl)ccc1C#N 2382200270 PYCVVFOILIUOAJ-UHFFFAOYSA-N 435.117 5.935 30 10 IKEE Cc1ccc(/N=C(\Nc2ccc(C)cc2)Nn2c(Nc3ccc(C)cc3)n[nH]c2=S)cc1 8385069 SXZFKKQKVZNKBY-UHFFFAOYSA-N 443.580 5.953 30 10 IKEE CC1(C)C(=S)N(c2ccc(C#N)cc2)/C(=N/c2ccc(Cl)cc2)[C@H]1N1CCCCC1 15861690 YZGHLHQOKHHFJC-AEWZQEMSSA-N 437.012 5.970 30 10 IKEE CCOc1ccc(N(C)c2ccc(/C=C3/Sc4ccc5ccccc5c4C3=O)cc2)cc1 27520478 QYBVUFNRHHZGAH-NLRVBDNBSA-N 437.564 7.336 30 10 IKEE C=CCn1c(Cc2ccccc2)nnc1SCC(=O)c1ccc(NC(=O)CC(C)C)cc1 32788724 QVCBOABNHPBGBI-UHFFFAOYSA-N 448.592 5.015 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(Br)cc2)C3=O)cc1 33350511 YSJXWTNPJZHNRN-MTJSOVHGSA-N 435.273 5.593 30 10 IKEE COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(Cl)c(Cl)c2)C3=O)c1 33350516 LWADKRGGUPZKDI-FBHDLOMBSA-N 441.266 5.837 30 10 IKEE COc1ccccc1/C=C/C(=O)c1ccc(OC(=O)N(c2ccccc2)c2ccccc2)cc1 34955742 DFLYMUURAKRALA-DYTRJAOYSA-N 449.506 6.928 30 10 IKEE CN(C)c1ccc(/C=C2\S/C(=N/c3cccnc3Cl)N(C3CCCCC3)C2=O)cc1 39864152 ZYLXOQDIHRAKDB-PKPRBZMYSA-N 441.000 5.738 30 10 IKEE C=CCn1c(SCCC(=O)Nc2nc3ccccc3s2)nnc1-c1ccc(F)cc1 59803545 PIFBJCQAEKTEHQ-UHFFFAOYSA-N 439.541 5.001 30 10 IKEE CCCC/C(C)=N/Nc1nc(SCCC(=O)N(c2ccccc2)c2ccccc2)n[nH]1 59891217 KZUGCTHGNVZALB-XIEYBQDHSA-N 436.585 5.630 30 10 IKEE CCOc1ccc(N/C(=N\C(=O)c2ccccc2C)NCCc2c[nH]c3ccccc23)cc1 66437628 VPKDATREAJAAQO-UHFFFAOYSA-N 440.547 5.316 30 10 IKEE Cc1ccc(Cl)cc1N/C(=N\C(=O)c1ccccc1)NCCc1c[nH]c2ccccc12 66437730 JDLKHMGNZHLFDF-UHFFFAOYSA-N 430.939 5.570 30 10 IKEE CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(C)cc2)S/C1=N/c1cccnc1 101124773 BOJRBDWOIUIDMI-GOESLVMASA-N 429.545 5.593 30 10 IKEE CCN1/C(=C/C=C2/CC/C(=C\C=C3\Oc4ccccc4N3CC)C2=O)Oc2ccccc21 101399999 JNUBADJNHIOSHO-MYOKMMBMSA-N 426.516 5.723 30 10 IKEE CCCCCCCCCCn1c([C@H](C)NC(=O)c2ccc(C)cc2C)nc2ccccc21 102115372 UNMQQRVSHQVSRD-QHCPKHFHSA-N 433.640 7.285 30 10 IKEE COc1cccc(COc2ccc(Cl)cc2/N=C/c2cc(Cl)cc(Cl)c2O)c1 103909847 KJVJXNVYPDUQLS-OPEKNORGSA-N 436.722 6.691 30 10 IKEE C=C1C[C@]2(CO)CC[C@@H]3[C@H](CC[C@H]4[C@@]3(C)CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]34C)[C@H]2[C@@H](C)[C@@H]1C 141373887 SEMDMGSTKZEUNY-PAZFTKHCSA-N 442.728 6.853 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(F)c(C)c2)=C(O)C(=O)N1c1ccc(C)cc1C 169945269 VJRZNWXFWBCMAR-XMMPIXPASA-N 445.490 5.542 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccncc2)cc1C 170016460 DAHHHRASYAOQBI-DEOSSOPVSA-N 426.516 5.605 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)C)cc2)[C@H]1c1ccccc1 170049133 SMIPXLSTEYXXAK-DEOSSOPVSA-N 445.490 5.741 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@@H]1c1ccco1 170092722 ZBEPSKSEGFZIIK-LJQANCHMSA-N 445.805 5.003 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(OC(C)C)cc2)[C@H]1c1ccco1 170095050 MKIKMIJCAJTEIV-QHCPKHFHSA-N 447.487 5.167 30 10 IKEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc(C)c1 170147832 SBBFZOCRXPBILX-VWLOTQADSA-N 442.559 5.068 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2cccs2)c1 170156019 CGLCVURRXMSIBO-QFIPXVFZSA-N 428.513 5.629 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1cccs1 170165674 NVFJUZUXYROXRL-OAQYLSRUSA-N 427.566 5.551 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccccc1 170226932 JBASTOCIMMNUIT-QFIPXVFZSA-N 449.890 5.140 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2F)cc1C 170251704 WXTDSCMZONBWNS-HSZRJFAPSA-N 437.511 5.444 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccc(F)c(F)c2)o1 170299327 QSINOAGMBUKOBW-LJQANCHMSA-N 429.806 5.303 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2sccc2C)cc1C 170319721 QIWYWAHMQATBJR-FQEVSTJZSA-N 425.550 5.285 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1cccc(OC(C)=O)c1 170321420 LGDZXXBDZYHRKR-QHCPKHFHSA-N 449.547 5.206 30 10 IKEE CC(C)COC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@H]2c2cccs2)cc1 170476689 PKQWFPMYCLOTSH-OAQYLSRUSA-N 441.549 5.076 30 10 IKEE O=C1c2ccccc2/C(=N\N=C\c2ccco2)[C@@H]1C(=O)C(c1ccccc1)c1ccccc1 229338056 XVNQCDWPODPSOG-ZMFXQPDWSA-N 432.479 5.317 30 10 IKEE C[C@@H]1CC/C(=C/C=C\c2ccccc2[N+](=O)[O-])C(=O)/C1=C/C=C/c1ccccc1[N+](=O)[O-] 252625345 QHSOFLQDNNTTDE-IHVJFXHHSA-N 430.460 6.081 30 10 IKEE Cc1ccc(-c2nc(NN=Cc3ccc(O)cc3)sc2NC(=O)c2ccccc2)cc1 254343444 PRLGQWVAXSSDPZ-UHFFFAOYSA-N 428.517 5.522 30 10 IKEE C=CCn1c(C)c(/C=C2\SC(=Nc3ccccc3)N(CCOC)C2=O)c2ccccc21 254764335 DDVJBTBRYMYXOR-CMEWOCMCSA-N 431.561 5.386 30 10 IKEE CCN(Cc1ccccc1)c1ccc(/C=N\n2cnnc2SCc2cccc(C)c2)cc1 526807952 GIIRZLUYTAATSQ-QRQIAZFYSA-N 441.604 5.788 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1cccc(Cl)c1Cl 526809241 HPXKPCGJGGXRQB-MXAYSNPKSA-N 447.435 6.719 30 10 IKEE CCn1cc(/C=N\n2c(C)nnc2SCc2c(F)cccc2Cl)c2ccccc21 526817659 SWFFNSKFYSPOLE-MYKKPKGFSA-N 427.936 5.528 30 10 IKEE CCCCCCCCCCCCC/C=C\[C@H](OCOC)[C@@H](COCOC)OC(C)=O 575328906 JOSCSIUPYUMNLZ-LWACLWBTSA-N 430.626 5.785 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(CC#N)c2ccc(OCC(C)C)cc2)cc1 586232094 BBMQCYOTWBHENG-UHFFFAOYSA-N 428.598 5.563 30 10 IKEE CCCCCCCC[C@H](NCC)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 707885157 HXGUIGPWBKWFSW-NHTMILBNSA-N 434.665 6.214 30 10 IKEE CCCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccccc2OC)cc1 917612066 FFZXXKIARCQXPL-UHFFFAOYSA-O 430.553 5.130 30 10 IKEE O=[N+]([O-])c1ccc2nc(N=Cc3ccc(-c4ccc(Br)cc4)o3)sc2c1 1084256031 NWCMTZGPPQOELH-UHFFFAOYSA-N 428.267 5.978 30 10 IKEE Cc1nc(NCC(=O)N[C@@](C)(C#N)C2CCCCC2)c2cc(-c3ccccc3)sc2n1 1586348952 KUEPLIHCMOKZKJ-DEOSSOPVSA-N 433.581 5.057 30 10 IKEE O=C1/C(=C\c2ccccc2F)S/C(=N/N=C/C=C/c2ccccc2)N1Cc1ccco1 1615304760 KABWHWKATCWJBJ-PUCDACCFSA-N 431.492 5.590 30 10 IKEE CCN1C(=O)/C(=C(/C)c2cccc(OC)c2)SC1=Nc1nc(-c2ccccc2)cs1 1772738928 RRSSBKOYNRTPMJ-HYNSQCECSA-N 435.574 5.833 30 10 IKEE CCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNc2ccc([N+](=O)[O-])cc2)CCC3)cc1 1772747198 KLIGYCGFVWPYHP-UHFFFAOYSA-N 448.479 5.300 30 10 IKEE Cc1ccc(CCCC(=O)NCc2ccc(OC(=O)Nc3cccc(C#N)c3)cc2)cc1 1858907402 PEJPTVXLJSUBAE-UHFFFAOYSA-N 427.504 5.117 30 10 IKEE Cc1ccc(Cn2nc(C(=O)Nc3ccccc3C#N)c(Cl)c2-c2ccccc2)cc1 1859380931 APJYTQDHEGQKAM-UHFFFAOYSA-N 426.907 5.684 30 10 IKEE CCCCCCCCCCNC(=O)c1c(C)c(CC)nc2ccc(Br)cc12 1859577522 FOCANBKJFUZKGX-UHFFFAOYSA-N 433.434 6.739 30 10 IKEE CCCCCCCCCCn1c(C)cc(OCc2ccc(Br)cc2)cc1=O 1860785198 PRJMWWDKFQVZLK-UHFFFAOYSA-N 434.418 6.639 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1861022052 OKMMYEBWOALBNK-GOSISDBHSA-N 425.957 5.014 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cccc(F)c1 1861380788 XNLUZJNYVNMQSP-DEOSSOPVSA-N 444.566 5.563 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(Cl)c(Cl)c1 1862416012 JBJSNPJIYPYFDJ-XTZNXHDOSA-N 440.273 5.648 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(F)c1 1862444731 GBUQELHWOJYCCJ-QRQCRPRQSA-N 435.882 5.819 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cccc(Br)c1 1862496143 CWFMFNSPOKXNAE-LJQANCHMSA-N 428.326 5.054 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccccc1F 1862501833 LMPJXLPPTKUQSD-QHCPKHFHSA-N 441.518 6.212 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2cccc3ccccc23)cc1 1862531341 LRGSKCGZOXGSSV-VWLOTQADSA-N 427.544 6.027 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862582457 FFXZZMVWOVCLMW-ZMZPIMSZSA-N 449.290 5.278 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@H]1c1ccc2cc[nH]c2c1)c1cccc(O)c1 1862594528 FMXGVQPWVWWLSY-DEOSSOPVSA-N 444.531 5.565 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1cccc(F)c1)c1cccc2ccccc12 1862649784 GMZMROVVLRYFQH-HSZRJFAPSA-N 443.499 5.819 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(N(C)C)cc1 1862650840 FHKAGOLTVBNJKH-OSPHWJPCSA-N 428.532 5.283 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccccc1Cl 1862661166 PKYPOZFXUUDBBW-NRFANRHFSA-N 427.928 5.078 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2cccc(O)c2)cc1 1862662970 OKUFKORSUPAAFX-DEOSSOPVSA-N 445.490 5.433 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 1862675152 CRCWFADCLKJHNU-NRFANRHFSA-N 439.845 5.397 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 1862682701 KTESFIZSNMZOOM-LJQANCHMSA-N 433.401 5.365 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@@H]2c2ccc(C)cc2)cc1 1862687104 GPBWPYBWMVZRSH-RUZDIDTESA-N 441.527 5.133 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccccc1C 1862699743 XKAXYBYPHPCSJJ-XMMPIXPASA-N 435.564 5.942 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862737217 UJOSJGLXTAFIFE-QHCPKHFHSA-N 448.519 5.594 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc2cc[nH]c2c1 1862739348 WQFVYOKAFGFKBV-JOCHJYFZSA-N 447.491 5.235 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)cc1 1862741369 QJJPWGGOTSUSJV-HXUWFJFHSA-N 442.899 5.407 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(OCCCCCC)cc2)=C(c2ccccc2OC)C1=O 1863427068 XZRBEMRLLZTTFK-UHFFFAOYSA-N 434.536 5.032 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3cccs3)C2=O)cc1 1863479107 VZEFDWPQRHKQAM-INIZCTEOSA-N 427.529 5.135 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCC(C)C)=C(c2ccc(OCC)cc2)C1=O 1863568978 ZLHTUCJFZYYDBQ-UHFFFAOYSA-N 442.644 5.942 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccco2)=C(c2ccc(C)c(C)c2)C1=O 1863606538 HMVMCGXMPRZIQI-UHFFFAOYSA-N 436.596 5.907 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(C)cc2)C(=O)N(Cc2ccccn2)C1=O 1863613211 PYWMZSURSWMVDV-UHFFFAOYSA-N 433.596 5.400 30 10 IKEE CC[C@H](NC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1ccccc1C#N 1866991157 LLVWSUAKNSDBHZ-AZUAARDMSA-N 432.351 5.138 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](CCCC)NC(=O)[C@@H](c1ccc(Br)cc1)C(C)C 1868855240 RIMCKBVLXAXVHO-NHCUHLMSSA-N 449.433 5.064 30 10 IKEE CCCCCCCCCCn1cc(OCCCCC)c(=O)cc1CN1CCN(CC)CC1 1870678556 BKVXAUCAPDLXIG-UHFFFAOYSA-N 447.708 5.696 30 10 IKEE CCCCCCCOc1cn(CCC(C)C)c(CNc2ccc(CCCC)cc2)cc1=O 1870833530 MNIXWBMVCORQAL-UHFFFAOYSA-N 440.672 7.198 30 10 IKEE COc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN([C@H]2CCCC[C@H]2C)C4)c(OC)c1 1871351028 GXVCSHURXFCNNR-JNHGPDQRSA-N 449.547 5.359 30 10 IKEE C=CCOc1cccc(C(=O)Nc2ccc3oc(C(=O)c4ccc(C)cc4)c(C)c3c2)c1 1871358176 GSXQHAJQEPHCSW-UHFFFAOYSA-N 425.484 6.098 30 10 IKEE Cc1c(OC(=O)CCc2ccccc2)ccc2c1O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 1871385752 KQHWZLZTHXCKIU-BWAHOGKJSA-N 440.539 6.447 30 10 IKEE CC(C)=C1Oc2c(ccc(OCC(=O)Nc3ccccc3Sc3ccccc3)c2C)C1=O 1871450726 NXFJXPCZJOTQOV-UHFFFAOYSA-N 445.540 6.033 30 10 IKEE C=CCNC(=O)c1ccc2nc(-c3ccc(OCc4ccccc4)c(OCC)c3)[nH]c2c1 1872731061 SCRFIQJWZDQOGB-UHFFFAOYSA-N 427.504 5.123 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(C)c(C)c3)n2)cc1OCCC 1872767015 NBDGADWGAFHROR-NRFANRHFSA-N 448.588 6.495 30 10 IKEE Cc1nc(SCc2cccc(C(=O)Nc3ccc4nc[nH]c4c3)c2)c(C#N)c(C)c1C 1872893262 OQQKXEXCPBYLLX-UHFFFAOYSA-N 427.533 5.299 30 10 IKEE CCCCCCCCCCNC1=C(c2cccnc2)C(=O)N([C@H](C)c2ccccc2)C1=O 1873077222 OZHGLOJVLGUZET-OAQYLSRUSA-N 433.596 5.653 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(OC)c(Cl)c2)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873277016 ZUVWMVYIGURIRN-UHFFFAOYSA-N 444.918 5.394 30 10 IKEE CCOc1cc(/C=N/Nc2oc(-c3ccccc3)nc2C#N)ccc1OCc1ccccc1 1873470444 IEIMZTWIYDXNAW-OGLMXYFKSA-N 438.487 5.637 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1ccccc1F 1874204942 BTULKSLUWGTZMI-FOKLQQMPSA-N 439.343 5.687 30 10 IKEE CCCOc1ccc(/C=N/n2c(CCCOc3ccccc3Cl)nnc2SC)cc1 1874216042 HLDDVYBMMNRXEA-LFVJCYFKSA-N 444.988 5.336 30 10 IKEE C=C(C)CSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1ccc(CC)cc1 1874225388 IGSUBSGPSPUKJM-WPWMEQJKSA-N 448.636 6.019 30 10 IKEE CCOc1ccc(/C=N/n2c(CCc3ccc(C)c(C)c3)nnc2SCC)cc1OC 1874330055 ISLQWQFQULBPKC-PCLIKHOPSA-N 438.597 5.082 30 10 IKEE CCCSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1cn(C)c2ccccc12 1874331498 PRGSGFSAWHNLEJ-WGOQTCKBSA-N 431.609 5.556 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2cccs2)cc1C 1874358800 ZWIQICIMWKIXDL-KOEQRZSOSA-N 432.618 5.764 30 10 IKEE Oc1ccc(/C=N/n2c(CCc3cccs3)nnc2SCc2cccc(F)c2)cc1 1874370318 SFQFIDAEHRCEFN-ZVHZXABRSA-N 438.553 5.144 30 10 IKEE Clc1cccc(CSc2nnc(CCc3ccccc3)n2/N=C/c2ccccn2)c1 1874404077 HKJWSBPBIUGMJV-WGOQTCKBSA-N 433.968 5.286 30 10 IKEE Cc1cccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccccc2Cl)c1 1874406606 NSNCUKYYEFCFTN-WGOQTCKBSA-N 439.028 6.537 30 10 IKEE COc1cccc(/C=N/n2c(Cc3cccs3)nnc2SCc2ccccc2F)c1 1874412623 SBQNBHDVTVNQFH-ZVHZXABRSA-N 438.553 5.253 30 10 IKEE Cc1ccccc1/C=N/n1c(CC(C)(C)C)nnc1SCC(=O)N[C@@H](C)c1ccccc1 1874441161 LDERQHRWKGAUTE-JHKMYFMNSA-N 449.624 5.027 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2-c2ccco2)cc1 1874466097 RLYYWZDZFIOVGT-MFKUBSTISA-N 436.512 5.641 30 10 IKEE COc1cc(Br)cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1OCCO 1874573358 JMQPAIINIOWACU-GORDUTHDSA-N 446.124 5.032 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2ccccc2Cl)cc1 1874580090 XMDCDPLKYOALMM-DTQAZKPQSA-N 436.935 6.613 30 10 IKEE C=C(C)COc1c(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc(Br)cc1OC 1874586307 GWZRZISJCRWEKU-VQHVLOKHSA-N 445.353 5.934 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2ccccc2OCC(=O)OCC(C)C)cc1Cl 1874590530 MJTYRVVSZZZVJG-CMDGGOBGSA-N 437.319 5.476 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(CC)cc2)cc1OCC 1874604686 AGACPMCNIDMZCM-RVDMUPIBSA-N 437.580 5.571 30 10 IKEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1OCC 1874615711 MQJNUNXFRDVIKJ-WEVVVXLNSA-N 437.319 5.620 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)cc1F 1874621681 OGIVSPHOVOKMPL-WEVVVXLNSA-N 444.861 6.111 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccc(Cl)cc3)c2)cc1 1874696631 JQAYPWTVMAHNDG-WLRTZDKTSA-N 436.891 5.401 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cccc(OC(=O)c2[nH]c3ccc(C)cc3c2C)c1 1874698527 AQIXNPBIPHBIRB-WYMLVPIESA-N 425.484 5.909 30 10 IKEE O=C(COc1ccc(Cl)cc1Cl)Oc1cccc(/C=C/C(=O)c2ccc(F)cc2)c1 1874708612 MEXOHXKGOWGBRT-ONNFQVAWSA-N 445.273 6.013 30 10 IKEE CCc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3cc(C(C)(C)C)ccc3OC)c2)cc1 1874710193 WTVABMOMNRFNNB-FOWTUZBSSA-N 442.555 6.670 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1OC(=O)[C@H]1CCCO1 1874712899 VPCLWZYLQNGACJ-UVSKUAMOSA-N 444.483 5.468 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccccc2)CSc2nnc(C3CCCC3)n21 1874924014 YQSVYVXHJZDHMP-OAQYLSRUSA-N 426.630 5.998 30 10 IKEE CCCCCCCCC(=O)N1[C@H](C)CSc2nnc(CCCOc3cccc(C)c3)n21 1875068005 AGVVSJXEXPNPJH-HXUWFJFHSA-N 444.645 5.308 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OC(=O)C1CCC1 1875088273 RTHMHNLTVIUIGX-MDZDMXLPSA-N 429.856 5.249 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccccc3OCC)cc2)cc1 1875129715 PSADXAMHSJTMEG-WOJGMQOQSA-N 446.499 5.365 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)cc3F)c(Cl)c2)ccc1F 1875141729 RLRUWHAYUFTMQG-KRXBUXKQSA-N 444.836 6.110 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)c1cccs1 1875147933 SXGKGQJMSQSWRU-VMPITWQZSA-N 436.485 5.033 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)CCCSC 1875150228 CKFKSGHEUMJROO-RIYZIHGNSA-N 426.578 5.937 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3c(F)cccc3Cl)cc2)cc1F 1875152468 MYSOZJVLWPECCU-YRNVUSSQSA-N 428.818 5.742 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc1Br 1875152735 IIZLNVSXHXOALA-RMKNXTFCSA-N 435.289 5.589 30 10 IKEE CCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC 1875162428 CVNYNBOPEMOUTJ-ZHACJKMWSA-N 440.536 5.746 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc(OC)c1OC(=O)CC 1875164374 HJFIXIFUTNQMIZ-SFQUDFHCSA-N 442.511 6.428 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)ccc1OC(=O)C(C)(C)C 1875180110 MIVJZYINTBCNTQ-CSKARUKUSA-N 430.928 5.903 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 1875180215 IMKWHMXYTWNQQY-DHZHZOJOSA-N 441.310 6.426 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@]1(C#N)C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21 1880350142 JNRVZOJJFKPSKB-VNAWGFGGSA-N 432.564 5.701 30 10 IKEE Cc1ccc(NC(=O)C2CCN(c3oc(-c4cccs4)nc3C#N)CC2)cc1Cl 1890476562 BETJAYGXZRNXHP-UHFFFAOYSA-N 426.929 5.092 30 10 IKEE OCCC#Cc1ccc(CN(Cc2ccccc2)Cc2ccccc2)cc1Br 1893241795 PYGKKTFQZKNJLU-UHFFFAOYSA-N 434.377 5.385 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCCC)c2cc(F)ccc2Br)C1 1898379955 MCKWZLNGTHMYKN-QGZVFWFLSA-N 427.358 5.242 30 10 IKEE C=CCC1(NCc2ccc(Br)c(F)c2)CCN(C(=O)OC(C)(C)C)CC1 1924543779 YYPCEOIVUJSPRP-UHFFFAOYSA-N 427.358 5.024 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCC(C)(C)C[C@@H]1CNC(=O)OC(C)(C)C 1927164034 BETLMENHQKUCPS-HOOSLVGPSA-N 437.625 5.635 30 10 IKEE C[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)[C@H](C)CN1C(=O)OC(C)(C)C 1944375138 DSMKJLAYOOCYEV-GGUMNFRJSA-N 435.609 5.484 30 10 IKEE C=C(COCc1ccccc1)[C@H](NC)c1ccc(Br)c(Br)c1 1959980326 HOKWOYAHLWEQBO-SFHVURJKSA-N 425.164 5.245 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@](C)(NC(=O)OC(C)(C)C)C(F)F)NCCC 1981258617 GFGPOQLVPDJPJZ-CVDCTZTESA-N 426.548 5.066 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)[C@@H]2C[C@@H]21 2008447295 AFKHKGGNDXSATE-IEGUWTFLSA-N 447.963 5.373 30 10 IKEE CC[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2014642022 BNTRRBXYHPSVNC-MBSDFSHPSA-N 433.524 5.249 30 10 IKEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(C)c1 2045241862 UUWWOHDPBRCXQX-UQBPGWFLSA-N 443.588 5.666 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)c2ccc(Cl)c(Br)c2F)C1 2062968801 AKDICFKVSBLLHW-UHFFFAOYSA-N 432.717 5.285 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1ccc(OCCNC(=O)OC(C)(C)C)cc1 2063590090 VDGANDBBAMJOED-XMMPIXPASA-N 440.584 5.014 30 10 IKEE C=C1CCC(C[C@@H](N)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CC1 2071265957 YXZDTPRFTVOZFR-HHHXNRCGSA-N 427.588 6.981 30 10 IKEE CC[C@@](C#N)(C(C)C)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071349911 UAAMIQHMPYYMKJ-WUFINQPMSA-N 429.560 6.454 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@H](C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2077946972 BRQXGDWGCVIUHC-RTBURBONSA-N 447.551 5.495 30 10 IKEE CC(C)(C)[C@@H](c1ccc(C(F)(F)F)cc1)n1nc(C(F)F)c(C#N)c1Br 2079928237 CNONDQRGEKRFLG-CYBMUJFWSA-N 436.222 6.109 30 10 IKEE CC(C)c1ccc([C@@H](C)n2nc(C(C)(C)C)c(C=NO)c2I)cc1 2079978975 JRCGJZDXGQDKBP-CYBMUJFWSA-N 439.341 5.326 30 10 IKEE CCCOc1ccc([C@H](C2CCC2)n2nc(C3CCC3)c(C#N)c2Br)cc1 2080069466 RBKOOPQXEBKZTB-NRFANRHFSA-N 428.374 5.963 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(Nc3ccc(C#N)cc3Br)CCCCC[C@@H]12 2162340939 CVZMZWVKJXIKGY-WIYYLYMNSA-N 434.378 5.445 30 10 IKEE CN(c1ccc(C#N)c(Br)c1F)C1(CNC(=O)OC(C)(C)C)CCCCC1 2174813164 SMGKFFXPVYTKLU-UHFFFAOYSA-N 440.357 5.124 30 10 IKEE C#CCCN(CC(C)(C)C)C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2180048462 LRPKDTSWDYPWAN-UHFFFAOYSA-N 437.378 5.308 30 10 IKEE CN(C(=O)OC(C)(C)C)[C@H]1CCCC[C@H]1N(C)c1cc(Br)c(C#N)cc1F 2203606258 KMUDCIDYPVTQEK-SJORKVTESA-N 440.357 5.074 30 10 IKEE Cc1sc([C@H](C#N)N(C[C@H]2CCCO2)C(=O)OC(C)(C)C)c(C)c1Br 2219348273 BNKZPXMLHMAJHS-KGLIPLIRSA-N 429.380 5.108 30 10 IKEE CCCN[C@@H](C#CC(C)(C)C)c1cc(I)ccc1Br 2225434021 NYLUVTSGIJYQRK-HNNXBMFYSA-N 434.159 5.144 30 10 IKEE CCCCCCCC[C@@H](C)Nc1ccc(Br)c(I)c1 2231923842 NWBGQSJXFYDWSQ-CYBMUJFWSA-N 438.191 6.605 30 10 IKEE C=C1C[C@H]1C[C@H](NCCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237401897 CXJHJVBVRNMJIA-IHPCNDPISA-N 437.422 5.219 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)cc1CC 2237537268 MYSORMULMWVPEO-WOJBJXKFSA-N 437.422 5.359 30 10 IKEE CC(C)(C)C#CC=CCC(=O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2256716861 YNWVCCFEBGRRCZ-MHZLTWQESA-N 439.596 5.395 30 10 IKEE C=C([C@](C)(OCC(=O)O)c1cc(Br)c(Br)s1)[Si](C)(C)C 2292254959 ZXJOPOPAWULBLX-ZDUSSCGKSA-N 442.245 5.023 30 10 IKEE CN[C@@H](C#Cc1cccc(Br)c1)c1cccc(NC(=O)OC(C)(C)C)c1C 2296217140 RCUSMSJVCFSWPD-FQEVSTJZSA-N 429.358 5.417 30 10 IKEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc([C@H](O)C#Cc2ccc(Br)cc2)cc1 2296280373 ZREJSVUBEONEKF-FOIQADDNSA-N 430.342 5.120 30 10 IKEE CCc1ccc(NC(=O)OC(C)(C)C)c([C@@H](N)C#Cc2ccc(Br)cc2)c1 2296288900 LTDBTNCMFFIXEP-IBGZPJMESA-N 429.358 5.410 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)c1ccc(NC(=O)OC(C)(C)C)cc1 2296310959 PYQGTMGRKPUOKK-FQEVSTJZSA-N 429.358 5.498 30 10 IKEE CCCCCCCCCCOc1ccc(C2=NC(=Cc3ccc(N(C)C)cc3)C(=O)O2)cc1 2297182783 XMXNZCXFQZHIET-UHFFFAOYSA-N 448.607 6.617 30 10 IKEE C=CCOc1c(Cl)cc(C=C2SC(=O)N(CCCc3ccccc3)C2=O)cc1OC 2297511583 RSMVCGOMBPLBOA-UHFFFAOYSA-N 443.952 5.583 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1 2314429672 LVSFZUUYLWFHKM-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCc4ccc(F)cc4Cl)cc(C)c3C2=O)cc1 2321862906 HNQUCFGNFRUQFV-UHFFFAOYSA-N 438.882 6.381 30 10 IKEE CCCOc1ccccc1C=Nn1c(S)nnc1CCCOc1ccc2ccccc2c1 2322274130 LYPZLQMCMMDOSV-UHFFFAOYSA-N 446.576 5.403 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc([N+](=O)[O-])cc1)C3=O)CN(Cc1ccc(F)cc1)CO2 2322347582 UHHYMHHETSYSRE-UHFFFAOYSA-N 446.434 5.011 30 10 IKEE Cc1c(OC(=O)c2ccccc2Cl)ccc2c1OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2322724952 CLBQXZMNGKRGTK-UHFFFAOYSA-N 446.930 6.781 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCc2cccc3ccccc23)c2ccccc12 2323009077 FRJUPQGGISDFEY-UHFFFAOYSA-N 444.530 7.477 30 10 IKEE O=C(C=Cc1cccc(OCc2c(Cl)cccc2Cl)c1)c1cccc([N+](=O)[O-])c1 2323046671 GAKFWKKKSIFNRA-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3ccccc3C)c2)c(C)c1C 2323248317 AJTUHJOGVMNYSA-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)NCc3ccco3)c2)c2ccccc12 2323330249 KNOHZHZXGQSSCU-UHFFFAOYSA-N 441.483 5.033 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(OC)c1OCc1ccccc1Cl 2323602793 FYGBWSAVWCJGNP-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccccc3Cl)cc2OC)o1 2323627230 ZLXSFPUMHFLUDY-UHFFFAOYSA-N 426.852 5.203 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(OC)cc3)cc2OC)cc1 2323648567 RKUZPSBPDFBMSD-UHFFFAOYSA-N 445.515 5.180 30 10 IKEE Cc1cc(OC(=O)CCc2ccccc2)cc2c1C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)O2 2323721288 GWNKJSLQIYEEPL-UHFFFAOYSA-N 429.428 5.058 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(OC(=O)c4cccc(OCC)c4)c3C)C2=O)cc1 2323802847 VNNPKXYHSNPLSN-UHFFFAOYSA-N 444.483 5.628 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 2323816210 RXWVZMALIDJUQB-UHFFFAOYSA-N 429.472 5.807 30 10 IKEE CCCCCCCCCOc1ccc(C=NNc2nc(C)c(C(C)=O)s2)cc1Cl 2323858374 OQOSVJISHGSNRY-UHFFFAOYSA-N 436.021 6.883 30 10 IKEE COc1ccc(-c2csc(NN=Cc3ccc(OC)c(OC(C)C)c3)n2)c(OC)c1 2323865773 AMXNQHOKUMVBTB-UHFFFAOYSA-N 427.526 5.069 30 10 IKEE Cc1cc(O)c(CN2C[C@H](C)C[C@@H](C)C2)c2c1C(=O)C(=Cc1c(F)cccc1Cl)O2 2324055241 VTIJSDRIDLNVCP-ZIAGYGMSSA-N 429.919 5.587 30 10 IKEE CCn1cc(C=C2Oc3cc(O[C@@H](C)C(=O)OC(C)C)ccc3C2=O)c2cc(OC)ccc21 2324305272 SUHIDBLRGZGARQ-INIZCTEOSA-N 449.503 5.005 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccc(C)cc4C)c3C)C2=O)cc1 2324495441 AEVOCSMRAUFDJC-FQEVSTJZSA-N 441.527 5.942 30 10 IKEE COc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 2324534734 DAFUOYROMJAWLF-INIZCTEOSA-N 429.328 6.015 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc(OC)c1OCC(=C)C 2324538760 WCDHHOVJNOVRSK-UHFFFAOYSA-N 426.940 6.245 30 10 IKEE N#C[C@@H](C(=O)C=Cc1ccc2c(c1)OCCO2)c1nc(-c2cccc3ccccc23)cs1 2324637755 SCCXOEREQXZDNR-NRFANRHFSA-N 438.508 5.624 30 10 IKEE COc1ccc(OCCOc2cc(C)c3c(c2)OC(=Cc2cccc(OC)c2)C3=O)cc1 2324677097 NXOKWFAULXQBLM-UHFFFAOYSA-N 432.472 5.086 30 10 IKEE O=C(C=Cc1ccc(F)c(Br)c1)C(=O)Nc1ccccc1Oc1ccccc1 2325610134 CPCKHAMUFODLFD-UHFFFAOYSA-N 440.268 5.602 30 10 IKEE CCc1ccc(CCC(=O)Oc2cccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 2325690143 JKHAUNIFSHTMEN-UHFFFAOYSA-N 429.472 5.592 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc2c(c1)OC(=Cc1ccc(C(C)C)cc1)C2=O 2325713520 IWGQIZYBTYFXAL-UHFFFAOYSA-N 427.500 5.752 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccccc4CC)c3C)C2=O)cc1 2325737637 MITKNDOMRHUNQZ-UHFFFAOYSA-N 441.527 5.754 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2cccc(C=CC(=O)c3cc(C)cc(C)c3OC)c2)c1 2325757532 CXPXFRHODWSPOA-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)c3ccc(C(C)(C)C)cc3)c2)c(C)c1 2325764770 JPNXKFACILZQMW-UHFFFAOYSA-N 426.556 7.025 30 10 IKEE Clc1cccc(CSc2nncn2N=Cc2c(Cl)ccc(Cl)c2Cl)c1 2326467441 CIEDBGNUPUKKHE-UHFFFAOYSA-N 432.163 6.066 30 10 IKEE CCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccccc1OCC(C)C 2326467886 HENSSSJRBRWVQS-UHFFFAOYSA-N 428.989 5.703 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(OC(C)=O)cc1 2326552420 YJZBGAIUFOKJFC-UHFFFAOYSA-N 442.972 5.374 30 10 IKEE CCCSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1cc(Cl)ccc1O 2327386101 QDCXBAHKOPCQNP-UHFFFAOYSA-N 444.988 5.553 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(F)c3)n2N=Cc2cccs2)cc1C 2329406439 JWMSMZNPLNPCCL-UHFFFAOYSA-N 436.581 5.861 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2Cl)n1N=Cc1cccc(OC)c1OC 2329566880 UFSLHUNKWJXPKF-UHFFFAOYSA-N 428.945 5.166 30 10 IKEE CCCCCCCCNC(=O)[C@@H](NC(=O)C=Cc1ccc(Cl)cc1)c1ccccc1 2330361618 DHVVPDIEGUOVAN-DEOSSOPVSA-N 426.988 5.687 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C=Cc1ccc(Cl)cc1 2330389961 HJJTYZCHBCRHJW-XMMPIXPASA-N 441.015 5.557 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4ccccc4c3)cc2Cl)cc1 2330659130 XIFXZDLDJOLUSO-UHFFFAOYSA-N 426.899 6.917 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)ccc1OC(=O)Cc1ccc(C)c(C)c1 2330763045 IVFLPDFZCHENRY-UHFFFAOYSA-N 442.555 6.309 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1cnccn1 2330821053 CVQIZWVPBMCERK-UHFFFAOYSA-N 443.286 5.297 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2F)n1N=Cc1cc(Cl)ccc1O 2330844927 WKJXDVJRDQBMCE-UHFFFAOYSA-N 432.952 5.539 30 10 IKEE CCSc1nnc([C@@H]2CCCO2)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2330944076 DXCIUJVZKFKLIO-FQEVSTJZSA-N 442.972 5.356 30 10 IKEE Brc1ccc(C=Nn2c(SCc3ccccc3)nnc2[C@H]2CCCO2)cc1 2330953430 VSTFTTFAIGLUBQ-GOSISDBHSA-N 443.370 5.067 30 10 IKEE Clc1ccc(CSc2nnc([C@H]3CCCO3)n2N=Cc2cccnc2)cc1Cl 2331001031 NBAROJHWCYABMW-QGZVFWFLSA-N 434.352 5.006 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccccc3OC)cc2Cl)cc1 2331059437 ANGVSGRSEFUKJP-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2[N+](=O)[O-])c(Cl)c1)c1ccc(F)cc1F 2331092477 FAQXAZYFUZYUSM-UHFFFAOYSA-N 443.789 5.642 30 10 IKEE Cc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C2CCCC2)cc1 2331104366 VDASQHZCXAFPEP-UHFFFAOYSA-N 428.964 6.211 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc3cc(Cl)ccc3n2)c(Cl)c1)c1ccccc1 2331167655 DLHXXHHPSHRINY-UHFFFAOYSA-N 448.305 6.657 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cc(OC)ccc3OC)cc2)cc1 2331188476 IOFUPOGARCEONB-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)CC1CCCCC1 2331212882 GQWJZCNGTDFJLS-UHFFFAOYSA-N 440.967 6.737 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC(=O)C(F)(F)F 2331240081 MQNQVKWETJUNGD-UHFFFAOYSA-N 449.208 5.374 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1Cl 2331320030 CWXAYFSMRQCOEX-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1N=Cc1ccc(C)cc1 2331353958 RJLOKHABNFVKQK-UHFFFAOYSA-N 435.597 5.159 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)[C@H](C)c3ccccc3)c(OC)c2)c1 2331394655 HUEHHXZWFIYWGG-GOSISDBHSA-N 446.499 5.318 30 10 IKEE CCSc1nnc(CC(C)C)n1N=Cc1c(OCc2ccccc2)ccc2ccccc12 2331445859 UMVLYDGPGBHJAY-UHFFFAOYSA-N 444.604 6.203 30 10 IKEE CC(C)c1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1cccc2ccccc12 2331673156 GMOBJANCCSRQBD-UHFFFAOYSA-N 429.549 5.168 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)[C@@H]1CCCO1 2331708016 MFIKLCZLTPOPRP-NRFANRHFSA-N 428.912 5.336 30 10 IKEE CN(Cc1ccccc1)C1(CNc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCC1 2339545138 QNCDSEOMKUWDTC-SAPNQHFASA-N 433.405 5.193 30 10 IKEE Cc1cc(CNc2cccc(OCc3ccccc3)c2)ccc1B1OC(C)(C)C(C)(C)O1 2343660036 AOAJHVXPJMAVFS-UHFFFAOYSA-N 429.369 5.485 30 10 IKEE CC1(C)OB(/C=C/c2ccc(N[C@@H]3CC[C@@H]4CN(Cc5ccccc5)C[C@H]43)nc2)OC1(C)C 2365054765 YGJVXDPDLMFCEG-YCEFLOILSA-N 445.416 5.049 30 10 IKEE CCOc1c(OC)cccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccccc1)C2 21225746 VUOSLJZHEYGZCE-UZTOHYMASA-N 440.543 6.073 30 10 IKEE CCc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cc(Br)ccc2F)cc1 21250131 SXCFDFJUPBIIJR-YJBOKZPZSA-N 442.328 5.155 30 10 IKEE N#Cc1ccc(C(=O)/C=C\c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)o2)cc1 33376752 LACWFJCSBMWSTK-ALCCZGGFSA-N 435.323 6.752 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)C)cc2)c1 33416474 HJQNPXVSZLULOL-HSZRJFAPSA-N 431.488 5.190 30 10 IKEE COc1cccc(C(=O)/C=C\c2ccc(COc3ccc(Br)cc3Cl)o2)c1 35678136 AQCGNKYJOJMXEB-HJWRWDBZSA-N 447.712 6.179 30 10 IKEE C=C[C@@](C)(O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)CC1CC1 36308781 QJASSEXZISZCJS-HHHXNRCGSA-N 447.579 5.131 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1cccc(OCCC)c1 40085446 GTGLSOGBMCUDLE-QHCPKHFHSA-N 437.536 5.171 30 10 IKEE CC(=O)N(c1nc(/C=C\C(=O)c2ccc(Cl)cc2Cl)cs1)c1c(C)cccc1C 98000608 SRDPRZRZEGAVGA-NTMALXAHSA-N 445.371 6.647 30 10 IKEE CN1C(=O)C[C@H](C(=O)Nc2ccc(Cl)cc2)S/C1=N\c1cc(Cl)cc(Cl)c1 100263075 HVMQVKSXWFNABH-VKWHMPGMSA-N 442.755 5.237 30 10 IKEE Cc1cc(C)c(NC2=C/C(=N\S(=O)(=O)c3cccs3)c3ccccc3C2=O)c(C)c1 103746491 XEGZIPBMXLGSNW-NCELDCMTSA-N 436.558 5.044 30 10 IKEE COc1cc(/C=N\n2c(C)nnc2SC)ccc1OCc1c(Cl)cccc1Cl 169914745 RQBVNDHREGAGOP-YVNNLAQVSA-N 437.352 5.085 30 10 IKEE COc1ccc(-c2csc(N/N=C\c3cc(Cl)c(OC)c(Cl)c3)n2)c(OC)c1 169941683 ULRXLMPEFAHDRI-AFPJDJCSSA-N 438.336 5.589 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 169953764 HPGQSBSYEIHNJZ-QHCPKHFHSA-N 446.934 5.497 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2cccs2)c1 169984708 HJMOKTSLHQYHLH-FQEVSTJZSA-N 439.920 5.501 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(O)c(Cl)c1 170042366 HBELEZVYKFUFAX-HSZRJFAPSA-N 439.939 5.276 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1)c1ccc(F)cc1 170062860 VSURSFWIRALICM-FQEVSTJZSA-N 425.818 5.401 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2cccc(O)c2)cc1C 170081193 XZUYZBKQGUTPAY-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccccc2C)c1 170086069 SQAAHXBAJYMLST-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@H]1c1cccs1 170164880 GBIOPEWQZIBQTE-HXUWFJFHSA-N 427.566 5.433 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccccn2)ccc1Cl 170175365 VOQHCRIFAJUSLH-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2ccccc2)c1C 170225984 LJJTWSMVGDCKAF-DEOSSOPVSA-N 425.484 5.021 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccccc2)c1 170228024 LMKQMIAHEGMLDY-DEOSSOPVSA-N 427.500 5.485 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cc(C)cc(C)c3OC)=C(O)C(=O)N2c2ccccc2)cc1 170265388 FSRSAPLKEDTBQY-XMMPIXPASA-N 441.527 5.657 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1ccccc1C 170272975 UCVMFWAFQDPYPT-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1c1cccc(F)c1 170313592 WZHSVJYOHUXMFQ-JOCHJYFZSA-N 443.499 6.132 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]1c1cccc(Oc2ccccc2)c1 170456679 OXBBIMRKPVMKMW-XMMPIXPASA-N 441.527 6.303 30 10 IKEE C=CCc1ccccc1OCCCCn1c(/C=C\c2ccc(OC)cc2)nc2ccccc21 205752489 VDMXLPSOZCPSIF-JZJYNLBNSA-N 438.571 6.803 30 10 IKEE Cc1cccc(N=C2C(=O)N(CN3CCC(Cc4ccccc4)CC3)c3ccccc32)c1C 254379129 SMTBYDUUOASGDS-UHFFFAOYSA-N 437.587 5.683 30 10 IKEE O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2ccccc2)/C1=C(O)/C=C\c1ccccc1 254428875 PGNHDAYBGSOACL-PUIYNNFMSA-N 449.428 5.888 30 10 IKEE CC(C)COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccc(F)c2)cc1 526487893 HABFLXNMRSOCGB-RUZDIDTESA-N 442.490 5.789 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Nc3ccccc3)cc2)[C@@H]1c1ccccc1)c1ccccc1 526772201 FTHZCCKEBJKROJ-AREMUKBSSA-N 446.506 6.213 30 10 IKEE CCCCc1nnc(SCc2ccc(Br)cc2)n1/N=C\c1ccc(O)cc1 526821045 XWQLXQMUCFBWSA-XKZIYDEJSA-N 445.386 5.263 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)N3CCCC[C@H]3CC)C2)c1 585966424 NBKHRGGUFHQOCP-DHIUTWEWSA-N 440.632 5.103 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@](C)(C#N)c1cc(Br)ccc1F 698416753 GHFPUPDCYAKXMT-NRFANRHFSA-N 433.321 5.764 30 10 IKEE Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)c1ccc(C(F)(F)F)nc1O 731564525 ICWXPLHGAHTGBL-VQHVLOKHSA-N 435.833 5.217 30 10 IKEE Cc1cc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2cccc(O)c2)c(C)c(C)c1C 917612146 JYRSRGMKPVTZRD-UHFFFAOYSA-O 430.553 5.108 30 10 IKEE Cc1cc(C=Nc2cccc(Cl)c2Cl)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 1083997397 FCRCQLVIOIWJMW-UHFFFAOYSA-N 431.275 5.548 30 10 IKEE CCOc1cc(C=NNc2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)ccc1O 1084525855 CGXSDCKIYJXGHR-UHFFFAOYSA-N 429.545 6.336 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(C(C)C)cc2)SC1=Nc1nc(-c2ccccc2)cs1 1772733379 AYRQJSPLAQKBSE-UDYULTBOSA-N 433.602 6.557 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)SC1=Nc1nc(-c2ccccc2)cs1 1772735671 HUPGDYUIOTURMO-LLLXPECQSA-N 446.601 5.666 30 10 IKEE C/C(=C1/SC(=Nc2cccc(C)n2)N(C2CCCCC2)C1=O)c1ccc(Cl)cc1 1772737248 NLWABGOMPYKDCJ-BRDBGPSPSA-N 425.985 6.370 30 10 IKEE CCCCCCCOc1cccnc1NC(=O)/C=C/c1cccc(OCc2ccccc2)c1 1858742228 PPOWLRORGUIJCZ-ISLYRVAYSA-N 444.575 6.662 30 10 IKEE Cc1cc(C(=O)Nc2cc(NC(=O)c3cccc(C#N)c3)ccc2Cl)ccc1N(C)C 1860461683 MCCXCMGFSUIMCN-UHFFFAOYSA-N 432.911 5.091 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)CCCOc1ccc(CC)cc1 1861712059 OEHHYNFFWNYZRA-XMMPIXPASA-N 432.649 5.560 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(C(C)C)cc1 1862381097 ROJUBLVJZCWYKB-SZNDQCEHSA-N 446.374 6.494 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1c(F)cccc1Cl)c1ccc(Cl)cc1Cl 1862384188 VLKFTSDILSRDLP-KRWDZBQOSA-N 440.685 5.527 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccccc2C)cc1 1862390137 WLJYPTARCTYIMN-ZJSXRUAMSA-N 433.548 5.095 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(OCC)c2)cc1 1862392620 BNGZFGUNICMSAA-RUZDIDTESA-N 447.575 5.949 30 10 IKEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccccc2)cc1 1862487005 QBMAQQXQOQLWSC-UQBPGWFLSA-N 441.527 5.652 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@@H]2c2cccc(F)c2)c1 1862488931 LPYKSCAWKCNRHC-XMMPIXPASA-N 445.490 5.100 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccc(F)cc2)cc1 1862490591 ZECZQJYGFYDJLB-XMMPIXPASA-N 445.490 5.230 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(OCCC)cc1 1862537374 UAKQCNBKJMTBFK-RUZDIDTESA-N 449.591 6.196 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 1862538541 JFGVAUHNZIVJKD-OAQYLSRUSA-N 446.374 6.324 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2cccc(C)c2)cc1OC 1862576642 YRMIKLJFAVHQTF-IQOKHDRSSA-N 449.547 5.169 30 10 IKEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2cccc(C)c2)cc1 1862589918 WYGDRPUTIRIWOA-BXKMTCNYSA-N 443.499 5.049 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccccc1[N+](=O)[O-] 1862619257 RDPLWKOAKMKWHT-QVKFZJNVSA-N 436.508 5.269 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2cccc3ccccc23)cc1F 1862644075 BTKLCCYWCLPNBQ-QHCPKHFHSA-N 433.479 5.222 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccc(Cl)c1 1862725270 FJNUYNRTPBORCT-HSZRJFAPSA-N 431.919 5.994 30 10 IKEE N#Cc1ccc(N2C(=O)C(Nc3cccc(Cl)c3)=C(c3ccccc3Cl)C2=O)cc1 1863077400 KZTDHYNZDMFQMZ-UHFFFAOYSA-N 434.282 5.262 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(OCC)cc2)C1=O 1863216543 QVWXQASIIVZNJO-NRFANRHFSA-N 445.563 5.508 30 10 IKEE C=CCN(CC=C)c1cc(N2CCN(c3ccc(F)cc3)CC2)nc(-c2ccc(C)cc2)n1 1867963476 ZILZYOFSVQKLPV-UHFFFAOYSA-N 443.570 5.096 30 10 IKEE CC(C)c1nc(Nc2cccc(C#N)c2)cc(N2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)n1 1868221454 MTLMIJWOCQVYLR-HTAPYJJXSA-N 431.515 5.321 30 10 IKEE COc1ccc2c(c1)C[C@H](C)CN2c1cc(Nc2ccc(C#N)cc2)nc(-c2cccnc2)n1 1868576587 WLSLAFCQQZTLTF-SFHVURJKSA-N 448.530 5.493 30 10 IKEE C=CCN(CC=C)c1cc(N2C[C@@H](C)Cc3cc(OC)ccc32)nc(-c2cccnc2)n1 1869366413 KAWUMHUYDFIUBE-IBGZPJMESA-N 427.552 5.056 30 10 IKEE CCCCCCCCn1cc(OCC(=O)Nc2cccc(C)c2)c(=O)cc1CSCC 1870205255 WPMAGTRZFWFKPU-UHFFFAOYSA-N 444.641 5.788 30 10 IKEE C=CCn1cc(OCC(=O)Nc2ccc3ccccc3c2)c(=O)cc1CSC(C)(C)C 1870247769 IZMUBZBDMWIIAB-UHFFFAOYSA-N 436.577 5.237 30 10 IKEE CCCCCCCCn1cc(OCc2cccc(Cl)c2)c(=O)cc1CSC(C)C 1870250990 AUGALTNWXNIKHA-UHFFFAOYSA-N 436.061 7.083 30 10 IKEE CCCCCCCCn1cc(OCCOC(C)C)c(=O)cc1CSc1ccc(C)cc1 1870293487 YQGLVHSIWYSWPW-UHFFFAOYSA-N 445.669 6.613 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCC2CCCCC2)cn1Cc1ccccc1Cl 1870481535 LXTGONRLIQHWTR-UHFFFAOYSA-N 441.015 5.683 30 10 IKEE CCCCCCCCCCn1cc(OCCCCC)c(=O)cc1CN1CCC[C@@H](C)C1 1870678630 FDQVPOILALIGRW-XMMPIXPASA-N 432.693 6.790 30 10 IKEE C=CCn1cc(OCc2c(C)cc(C)cc2C)c(=O)cc1CNc1cccc([N+](=O)[O-])c1 1870802701 GKEGOJRNTQKNQI-UHFFFAOYSA-N 433.508 5.059 30 10 IKEE CCCCCCCOc1cn(CCN(C)C)c(CNc2ccc(Cl)c(C)c2)cc1=O 1870838013 KGGBHHWSRUBIGU-UHFFFAOYSA-N 434.024 5.333 30 10 IKEE CCCCCCCCn1cc(OCCOC(C)C)c(=O)cc1CNc1cccc(Cl)c1 1870986603 JNWYXLMLWHJSTG-UHFFFAOYSA-N 449.035 6.278 30 10 IKEE CCCCCCCCn1cc(OCc2cccc(C)c2)c(=O)cc1CNc1ccccc1C 1871071013 IJWPLBUZADRBSZ-UHFFFAOYSA-N 446.635 7.017 30 10 IKEE CCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CNc1ccc2cc[nH]c2c1 1871258697 XDQHNLSMMZLAPI-UHFFFAOYSA-N 437.628 6.727 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OC(=O)c3ccc(F)c(F)c3F)cc(C)c2C1=O 1871370090 DXWUZWDKUXFMPO-SXGWCWSVSA-N 430.403 5.618 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)c1 1871387630 HBTMZWGKBWJSNI-MYYYXRDXSA-N 443.499 5.377 30 10 IKEE Cc1cc(OCCOc2ccccc2)cc2c1C(=O)/C(=C/c1cn(C)c3ccccc13)O2 1871397017 FNADBLUWPLTHLL-MYYYXRDXSA-N 425.484 5.561 30 10 IKEE Cc1ccccc1OCCCCOc1cc(C)c2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O 1871405464 RYOCXFNLJRQYMP-XYGWBWBKSA-N 448.946 6.811 30 10 IKEE Cc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccc(F)cc1)C2=O 1871409897 VACWBDMQWKIURK-NQRZERFFSA-N 431.463 5.465 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(O[C@H](C)C(=O)Nc4cc(C)ccc4C)c3C)C2=O)c1 1871411920 MDAYARUBJVCIQF-UQEONJGVSA-N 441.527 5.942 30 10 IKEE CCCCCCCCCCN=c1nc(N(CC)CCCC)[nH]c(=Nc2cccc(O)c2)[nH]1 1871716561 AHFCUVABWSNTPP-UHFFFAOYSA-N 442.652 5.344 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1871763278 XQPOAAJXPAOPGZ-DEOSSOPVSA-N 442.625 5.376 30 10 IKEE N#C[C@H](C(=O)C(c1ccccc1)c1ccccc1)c1nc(-c2cccc3ccccc23)cs1 1872774881 FCDGMSNFGMGNEB-RUZDIDTESA-N 444.559 6.972 30 10 IKEE COc1c(Cl)cc(-c2csc([C@@H](C#N)C(=O)c3ccccc3Cl)n2)cc1Cl 1872785277 JPLRAQRJFDBRMI-LBPRGKRZSA-N 437.735 6.269 30 10 IKEE CCCc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)cc1 1872785690 TUIQRLHJTZNCMU-GOSISDBHSA-N 440.952 5.680 30 10 IKEE CCCCCCCCCCNC1=C(c2cc(F)cc(F)c2)C(=O)N(C2CCCCC2)C1=O 1873110880 KJFBMYNKPWFMFZ-UHFFFAOYSA-N 446.582 6.108 30 10 IKEE CCCCCCCCCCNC(=O)c1cc2c(N(C)CCCC)ncnc2n1CCC 1873575337 WVGLMKVFLATBKM-UHFFFAOYSA-N 429.653 5.948 30 10 IKEE C=CCSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1cccc(O)c1 1874198765 RNWZVACQCYXTFK-NLRVBDNBSA-N 444.560 5.309 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1c[nH]c2ccccc12 1874224358 GOTUOMILMSUIAB-OVVQPSECSA-N 445.592 5.494 30 10 IKEE Cc1ccccc1CSc1nnc(CCCOc2ccccc2)n1/N=C/c1cccnc1 1874316400 RRMLIVWYHHMZNZ-OVVQPSECSA-N 443.576 5.168 30 10 IKEE Cc1ccccc1CSc1nnc(COc2cccc(C)c2C)n1/N=C/c1ccncc1 1874322563 XQWGWQLZVYXICF-JFLMPSFJSA-N 443.576 5.352 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCOc3ccccc3)n2/N=C/c2cccn2C)c1 1874346585 WJIVCWHIAUZOPV-YZSQISJMSA-N 445.592 5.029 30 10 IKEE Clc1ccccc1CSc1nnc(CCc2cccs2)n1/N=C/c1cccs1 1874370977 BNYUYPHPBXGVKY-LPYMAVHISA-N 445.038 6.014 30 10 IKEE Fc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccccc2Cl)cc1 1874408060 DSIFQKOHKHGGSD-CVKSISIWSA-N 442.991 6.368 30 10 IKEE Cc1cccc(CSc2nnc(-c3cccs3)n2/N=C/c2ccc([N+](=O)[O-])cc2)c1 1874421894 JWCRAGYRIRUOCY-LPYMAVHISA-N 435.534 5.398 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(O)c(OCC)c1 1874479644 KKVBEHNWCQZCPD-ZVHZXABRSA-N 444.988 5.553 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2sccc2C)c1 1874493613 VYDAHLZXAAIVFI-FSJBWODESA-N 439.610 5.145 30 10 IKEE O=[N+]([O-])c1cc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CC2)ccc1O 1874520515 IIJAYBNNGTUCLS-ZMOGYAJESA-N 445.504 5.097 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C2CC2)cc1 1874522783 LBEPSRPCXAWFLQ-BRJLIKDPSA-N 428.964 6.246 30 10 IKEE COc1cc(/C=N/n2c(C)nnc2SCc2cccc(Cl)c2)ccc1OC(C)C 1874535455 IDDQFABSCNWARJ-FSJBWODESA-N 430.961 5.210 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/n2c(S)nnc2C2CCCC2)cc1OC 1874559966 ZONGITYYPVCZTC-XIEYBQDHSA-N 444.645 6.245 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccccc2OCc2cccc(F)c2)cc1OCCC 1874576566 SYMXXFIFQBFSAR-WYMLVPIESA-N 448.534 6.878 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Cl)ccc1OCC(=O)Nc1c(C)cccc1C 1874576848 IXODWQKKGBWIJC-ACCUITESSA-N 449.934 5.879 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(C)ccc2C)c1OCc1ccc(Cl)cc1Cl 1874580275 GMYZEHWOEIMKGJ-ZRDIBKRKSA-N 441.354 7.094 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(C)ccc2C)c1OCC(=O)Nc1ccccc1C 1874580646 YRQYFCWXTVAJLG-CCEZHUSRSA-N 429.516 5.534 30 10 IKEE COc1cccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)c1OCc1cccc(Cl)c1 1874585707 BFLJRPHBLGIKKM-OUKQBFOZSA-N 434.963 7.057 30 10 IKEE COc1cc(C(=O)/C=C/c2ccccc2OCc2ccc(Cl)cc2)c(OC)cc1Cl 1874587250 CMXZFWFPMQPJND-FMIVXFBMSA-N 443.326 6.486 30 10 IKEE COc1cccc(/C=C/C(=O)c2c(C)cc(C)cc2C)c1OCc1cccc2ccccc12 1874590134 USZKGZWWSNPOSN-FOCLMDBBSA-N 436.551 7.249 30 10 IKEE Cc1ccccc1COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 1874605928 MSUIVMSVQSDYPY-UXBLZVDNSA-N 442.298 6.685 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cccc(C)c3C)c(OC)c2)c1 1874606127 XHFADHOIKPWGSZ-ACCUITESSA-N 445.515 5.234 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1 1874616669 NIUJQYXWUDDQHQ-WUXMJOGZSA-N 441.354 7.257 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OCc3c(Cl)cccc3Cl)cc2)c1C 1874628882 AOTOVKDVJKNEGP-JLHYYAGUSA-N 439.382 7.702 30 10 IKEE Cc1cc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)c2)ccc1[N+](=O)[O-] 1874693411 DLLGDXJSSFHKMO-NTEUORMPSA-N 441.483 5.897 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1OC(=O)c1cccc(C)c1 1874693677 QUSCVMLNUMSHTC-GXDHUFHOSA-N 426.512 5.998 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(/C=C/C(=O)c3ccccc3Cl)ccc2OC)c1 1874697020 KKQXNMQZIZEPCV-ACCUITESSA-N 436.891 5.863 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1OC(=O)[C@@H](C)c1ccccc1 1874706151 RTFKEQPZLMLCQN-KDMTZKAISA-N 442.555 6.598 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2cccc(F)c2)c1)c1ccc(Oc2ccccc2)cc1 1874712774 QBAKLFXKIHKFIS-SFQUDFHCSA-N 438.454 6.733 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)CC34CC5CC(CC(C5)C3)C4)c2)cc1C 1874714358 QXAJORQCKVJVDH-VQHVLOKHSA-N 428.572 6.711 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)Cc3ccccc3[N+](=O)[O-])c2)cc1C 1874717539 ATBOIXGCRRJTOS-VAWYXSNFSA-N 445.471 5.264 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(Cl)cc2)CSc2nnc(C(C)C)n21 1874852110 HNZOBLBZCNWBME-LJQANCHMSA-N 435.037 6.117 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC(=O)CCC 1875082573 HZWXUYQGQBHDHI-QGOAFFKASA-N 440.539 6.692 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)c(F)c3F)c(Cl)c2)cc1 1875100222 UGIOZNQSCSFMFQ-VZUCSPMQSA-N 444.836 6.435 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)c2ccccc2Cl)c(Cl)c1 1875118609 FUOSEVHFUXVJCC-ZRDIBKRKSA-N 427.283 6.117 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)COc1cccc(C)c1C 1875127831 ZOUSTSFFVFANLD-BUHFOSPRSA-N 446.499 5.201 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)CCc1ccc(OC)cc1 1875128373 DKOFUGPQEKHABI-LFIBNONCSA-N 430.500 5.528 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1OCC 1875128579 KLUJUIRYZPTJSS-JQIJEIRASA-N 446.499 5.365 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)C(C)C)c(Br)c1 1875170968 ZENNUAQPSIMNIN-SOFGYWHQSA-N 431.326 5.532 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)Cc1ccccc1 1875175531 UMDNOQMSNAPZBA-ACCUITESSA-N 430.500 5.365 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(F)cc2)c(Cl)c1 1875193155 VDTCARWINAAIRN-XNWCZRBMSA-N 445.273 6.256 30 10 IKEE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccc(C)c1C#N 1901483583 PINIBBUCVIKJFE-XMMPIXPASA-N 439.515 5.123 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@H](C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1991949647 BTOWVTOFOAXOPM-ROUUACIJSA-N 435.590 5.167 30 10 IKEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1cccc(NC(=O)OC(C)(C)C)c1 2031659265 BKLMCDRCJZUWPU-FQEVSTJZSA-N 446.592 5.177 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)cc1 2032043810 MWXHHULSDLXMQD-AOUJKTHWSA-N 441.572 5.276 30 10 IKEE CCCCCCCCCCCC[C@@H](O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2034423935 AOKNJSBPPQFWGL-LOSJGSFVSA-N 449.676 6.768 30 10 IKEE CCCCCCCC[C@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 2035471796 XAJIHPUCKHOCHR-RPBOFIJWSA-N 448.692 6.605 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Br)ccc1Cl)NC 2047974584 XDELHMHGGGHDPL-SJORKVTESA-N 431.802 5.093 30 10 IKEE C=CCOc1ccc(-c2nc(O)c3c4c(sc3n2)C[C@H](C(C)(C)C)CC4)cc1OCC 2060411030 XSWHCLAWCNGJFA-MRXNPFEDSA-N 438.593 6.178 30 10 IKEE Cc1ccc([C@@H](C2CCC2)n2nc(C(F)F)c(C#N)c2I)c(F)c1 2079137913 RKXAJQBCQAGEKK-OAHLLOKOSA-N 445.226 5.134 30 10 IKEE CC(C)Oc1ccc([C@H](n2nc(C3CCC3)c(C#N)c2Br)C2(C)CC2)cc1 2080127205 SCSPTFYHDATHQU-FQEVSTJZSA-N 428.374 5.961 30 10 IKEE COc1ccc(Br)c(-c2c(C3CCCC3)nn3c(Cl)c(C#N)cnc23)c1 2081195217 JXLWMHJIETYUKK-UHFFFAOYSA-N 431.721 5.350 30 10 IKEE CC1(C)OB(C=C2CCN(Cc3cc(Br)ccc3Cl)CC2)OC1(C)C 2110461011 KVRASDTVVSYNBJ-UHFFFAOYSA-N 426.591 5.256 30 10 IKEE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1C#N 2117994372 FOTGNZLJJPKJIH-KKUQBAQOSA-N 447.623 5.879 30 10 IKEE N#CCc1ccc(NCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1 2134727463 HUQDOHXNMSFCBO-UHFFFAOYSA-N 434.539 6.523 30 10 IKEE Brc1csc(CN=C2NC3(CCCCC3)CCS2)c1Br 2150562943 PFBFAEJYZUFWMI-UHFFFAOYSA-N 438.254 5.559 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(OCCNc2ccc(C#N)c(Br)c2)cc1 2162415309 RNPGKJHUGDJNAD-UHFFFAOYSA-N 432.318 5.159 30 10 IKEE CCCN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(C#N)c(Br)c1 2174813908 BGQKAQRDSOAYEF-MRXNPFEDSA-N 436.394 5.184 30 10 IKEE C=CCC1([C@@H](NCCC)c2ccc(F)cc2Br)CN(C(=O)OC(C)(C)C)C1 2198469231 USPIMEAKLDBHAB-SFHVURJKSA-N 441.385 5.442 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H](Nc2ccc(C#N)cc2Br)C12CCCC2 2204293477 LYSXUMIZUXWKTC-SFHVURJKSA-N 434.378 5.445 30 10 IKEE CCCc1ccc(C#C[C@@H](CCN(Cc2ccccc2)C(=O)OC(C)(C)C)NCC)cc1 2223326995 UAVSNAHSRIPDQJ-SANMLTNESA-N 434.624 5.796 30 10 IKEE C=C(C)C[C@H](NCCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229130477 OMXAHLSKMWPXMQ-RBUKOAKNSA-N 425.411 5.219 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1Cc2ccc(Nc3ccc(C#N)cc3Br)cc2C1 2234126495 MCJFHONNHYHJTP-QGZVFWFLSA-N 428.330 5.056 30 10 IKEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)Cc1ccccc1 2241475670 CEKAVZZUUIFQTJ-UHFFFAOYSA-N 447.409 5.198 30 10 IKEE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCC#N)C(C)C 2243925622 YMTHYGDVNFDDOG-RUZDIDTESA-N 447.579 5.090 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CSc1cc(Br)c(C#N)cc1F 2260367787 JXCGOPZUEJKUHN-IAQYHMDHSA-N 429.355 5.197 30 10 IKEE C[C@@H](N(Cc1ccccc1)C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2267635463 BNCDYALSQMDBLR-LJQANCHMSA-N 436.405 5.455 30 10 IKEE N[C@H](C#Cc1ccc(Br)cc1)c1cc(Br)cc(Br)c1 2278816077 NYDDNUICPKXXNN-OAHLLOKOSA-N 443.964 5.026 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](Nc2ccc(Br)c(C#N)c2)C[C@@H]2CCCC[C@@H]21 2279540679 ZHIOZXPADSYRNR-YJLNNSPDSA-N 434.378 5.301 30 10 IKEE CC1(C)OB(c2ccsc2C(=O)Nc2cc(Cl)c(Cl)cc2Cl)OC1(C)C 2282199053 DDWONNYCEZWXJH-UHFFFAOYSA-N 432.565 5.260 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2c(Br)cccc2C#N)C[C@H]2CCCC[C@H]21 2285155361 FMXSRTPBSHJZFK-UWWQBHOKSA-N 434.378 5.301 30 10 IKEE CCCCCCCCCCCCCCCCCCNC(C)=C1C(=O)NC(=O)N(C)C1=O 2295891534 GZNBLMZWYPBOKI-UHFFFAOYSA-N 435.653 5.820 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)C[C@H](CC)CNC(=O)OC(C)(C)C 2296298679 MQSGTWPYONQHFA-FXAWDEMLSA-N 437.422 5.110 30 10 IKEE CN[C@H](C#Cc1ccc(Br)cc1)c1c(C)cccc1NC(=O)OC(C)(C)C 2296308626 KTUWKPZVUPDACS-GOSISDBHSA-N 429.358 5.417 30 10 IKEE COc1ccc(C=C2Oc3cc(OCc4ccc(F)cc4)ccc3C2=O)c(OC)c1OC 2296844808 JKHVYEMGTXQCGK-UHFFFAOYSA-N 436.435 5.047 30 10 IKEE Oc1ccc(N=CC=Cc2ccc(Cl)cc2Cl)cc1-c1nc2ccccc2s1 2297100545 FSCVJISZUKFERC-UHFFFAOYSA-N 425.340 7.391 30 10 IKEE C=CCC(CC=C)[C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2301037463 PRMZASSDWNWVNY-HUVFLSCGSA-N 430.633 5.622 30 10 IKEE COC(=O)c1ccc(COc2ccc3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1 2314438313 OLBHHHLXVZRLIG-UHFFFAOYSA-N 428.484 5.792 30 10 IKEE COC(=O)c1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CC2)cc1 2320873764 OCWPKGDFFLKTSZ-UHFFFAOYSA-N 442.544 5.270 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCC(C)C)C4)cc1 2322236303 DXSNUSLDJFLWRI-UHFFFAOYSA-N 434.580 5.655 30 10 IKEE CCCCOc1ccccc1C=Nn1c(S)nnc1CCCOc1ccc(Cl)cc1 2322238549 YDACVLIIOFGMPP-UHFFFAOYSA-N 444.988 5.293 30 10 IKEE CCCNC(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccc(-c2ccccc2)cc1 2322301733 QASSLKIVTIJMSY-UHFFFAOYSA-N 449.550 6.308 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1c(F)cccc1Cl)C3=O)CN(Cc1ccccc1)CO2 2322312339 SXFDLRYOVLVQDU-UHFFFAOYSA-N 435.882 5.756 30 10 IKEE Cc1cc(C)cc(OCCN2COc3c(cc4c(c3C)OC(=Cc3ccccc3)C4=O)C2)c1 2322416248 HCEUBJQIZCNIMQ-UHFFFAOYSA-N 441.527 5.459 30 10 IKEE COc1ccccc1C(=O)C=Cc1cccc(OC)c1OCC(=O)Nc1cc(C)ccc1C 2322485545 ZVSMHKCQTRFANY-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE CC(C)COC(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccc2c(c1)OCCO2 2322667729 HAQJFMWINDHSOC-UHFFFAOYSA-N 446.499 5.085 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3cc(C)ccc3C)c2)cc1OC 2323060710 QISZXYXLJRGWBK-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC)c(OCCC)c2Br)cc1 2323076183 HPSDCMCJIYVGKF-UHFFFAOYSA-N 431.370 6.485 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OCC(=O)N[C@H](C)c1ccccc1 2323138690 DJAQJYMNTWWYRY-OAQYLSRUSA-N 443.543 5.464 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3ccc(F)cc3)c2)c(C)c1C 2323248493 XKJAPWSXMFJEEA-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE CCOC(=O)c1ccc(COc2cccc(C=CC(=O)c3cc(Cl)ccc3Cl)c2)o1 2323327624 DZNZFMPOPUXYSM-UHFFFAOYSA-N 445.298 6.238 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(Br)c1OCC 2323404405 GVEGEMNDHYTTFM-UHFFFAOYSA-N 425.322 6.296 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1ccc2c(c1)CCCC2 2323422949 NNCBPWHLBHQURW-UHFFFAOYSA-N 447.918 6.602 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)C=Cc3cccc([N+](=O)[O-])c3)ccc2C1=O 2323433489 OUZYCUWIJOWWIM-UHFFFAOYSA-N 427.412 5.138 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(OC)c2)cc(OC)c1OCc1ccc(C)cc1 2323510678 CLSBRGHWZCBHIZ-UHFFFAOYSA-N 428.528 6.216 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(C)c2)cc(OC)c1OCc1ccc(F)cc1 2323580189 GZTVZDYGQLPPII-UHFFFAOYSA-N 446.518 6.355 30 10 IKEE CCOc1c(Br)cc(C=CC(=O)c2ccccc2Cl)cc1Br 2323603096 NLSYWJSDEBHTGQ-UHFFFAOYSA-N 444.550 6.160 30 10 IKEE O=C(C=Cc1ccc(OCc2c(F)cccc2Cl)c(Cl)c1)c1ccc(F)cc1F 2323720698 YAAFUIKBAFZFSI-UHFFFAOYSA-N 437.244 6.886 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1Cl 2323854471 GHKRABILZCDLHE-UHFFFAOYSA-N 427.972 5.880 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3C)c([N+](=O)[O-])c2)cc1 2323933536 ADNSAVKKXVYTEI-UHFFFAOYSA-N 431.488 6.167 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OC 2323985581 FSXRPVPJYRHPKT-UHFFFAOYSA-N 447.506 5.619 30 10 IKEE Cc1cc(O[C@H](C)C(=O)Nc2ccccc2Cl)cc2c1C(=O)C(=Cc1ccccc1)O2 2324391752 MVDMPULCUWHXCL-MRXNPFEDSA-N 433.891 5.671 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2F)C3=O)c1 2324455577 PMRCHBUBWGAPMU-QGZVFWFLSA-N 431.463 5.465 30 10 IKEE Cc1ccccc1C=Nn1c(CCc2ccccc2)nnc1SCc1ccc(Cl)cc1 2325461651 DEDAZIISNKWKGN-UHFFFAOYSA-N 447.007 6.200 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2325509588 WKNJQCQXPQNIJT-UHFFFAOYSA-N 443.960 5.665 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(Cl)c(Cl)c1 2325559021 PHARLJZLYVNRIZ-UHFFFAOYSA-N 439.799 6.365 30 10 IKEE O=C(C=Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 2325571538 VZZXGJDOVNHJCR-UHFFFAOYSA-N 425.406 5.505 30 10 IKEE Cc1nnc(SCc2cccc3ccccc23)n1N=Cc1c(Cl)cccc1Cl 2325631656 ZCHVDLMKRBETST-UHFFFAOYSA-N 427.360 6.221 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c(C)c3)c2)c(OC)c1 2325714340 MIWGRMOHUVCMAP-UHFFFAOYSA-N 446.499 5.065 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2cc(C)c3c(c2)OC(=CC=Cc2ccccc2)C3=O)c1 2325722070 DEMBMWQUTBFNJI-UHFFFAOYSA-N 439.511 5.802 30 10 IKEE CCc1ccc(CCC(=O)Oc2cc(C=CC(=O)c3ccc(C)cc3)ccc2OC)cc1 2325737817 LKYWLVIAEHNQQV-UHFFFAOYSA-N 428.528 6.000 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(OCC(=O)Nc3cccc(C)c3C)c2C)C1=O 2325738319 VLVRETMMGTWLHA-UHFFFAOYSA-N 433.529 5.615 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC(=O)Cc2cccs2)c1 2325752542 UUQGGDHNRIHMCS-UHFFFAOYSA-N 434.557 6.098 30 10 IKEE CCCOc1ccccc1C=Nn1c(CCCOc2ccccc2Cl)nnc1SC 2326037585 GZNLNJNSZKHTHW-UHFFFAOYSA-N 444.988 5.336 30 10 IKEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C[C@@H]1CC(C)C 2326269611 BUXVPPGABCTPOF-BKMJKUGQSA-N 444.616 5.191 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccc(OC)c([N+](=O)[O-])c1 2326388626 FFGWSMVLAJILTI-UHFFFAOYSA-N 439.541 5.020 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3C)n2N=Cc2ccccn2)cc1C 2328926045 YPBSQZHNGWRNQD-UHFFFAOYSA-N 441.604 5.558 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccccc3)n2N=Cc2cccc(O)c2)cc1 2329872654 NMNDCDIWKRIDCF-UHFFFAOYSA-N 430.533 5.046 30 10 IKEE COc1cccc(C=Nn2c(Cc3ccc(C)cc3)nnc2SCc2ccc(C)cc2)c1 2329935466 VMMUYCWVIJZILZ-UHFFFAOYSA-N 442.588 5.669 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C=Cc1ccc(C)cc1 2330284630 AFWVHVQBYGXQPJ-RUZDIDTESA-N 438.587 5.352 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(-c3cccs3)n2N=Cc2ccccc2C)c1 2330543036 ZFYFFTGYYHPNMN-UHFFFAOYSA-N 447.589 5.236 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1 2330592633 UNFYLJSPCAIDLK-UHFFFAOYSA-N 448.518 6.868 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CC3CCCCC3)c(OC)c2)cc1OC 2330734597 XQXOROADUJVGFL-UHFFFAOYSA-N 438.520 5.484 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3ccccc3)c(Cl)c2)cc1 2330743758 LGKUFPJQJMAYCC-UHFFFAOYSA-N 448.946 6.563 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)cc1C 2330855563 VUFOYCZCYSTIKK-UHFFFAOYSA-N 444.571 6.412 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccccc1Cl 2330910869 NYAKAEKBCWCWTF-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)c1ccccn1 2330935344 ACKJDWQDLCAVPV-UHFFFAOYSA-N 442.298 5.902 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)c1cccc(Cl)c1 2331117652 SRMAKUZCCSHWLN-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE Fc1cccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C(F)(F)F)c1 2331154977 FQWOOJLFYOCMJE-UHFFFAOYSA-N 449.260 5.917 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc([N+](=O)[O-])c1OC(=O)c1ccc(C)c(C)c1 2331174449 QNGBHINZJIXDJM-UHFFFAOYSA-N 445.471 5.726 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)COc1ccc(Cl)cc1 2331179379 UJAOCBZZVTWTLQ-UHFFFAOYSA-N 436.891 5.619 30 10 IKEE CCCCc1nnc(SCC)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2331331687 DGELFVXPOBLPBO-UHFFFAOYSA-N 428.989 5.847 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1Br 2331399617 CXZUDZCJNBWNPM-UHFFFAOYSA-N 445.309 5.212 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc3ccccc23)c(Cl)c1)c1ccc(F)cc1 2331523057 XEPMNZPNSIFCDI-UHFFFAOYSA-N 430.862 6.748 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)[C@H](C)c2ccccc2)cc1 2331546264 AHRXUQIXOFUMRC-HXUWFJFHSA-N 442.555 6.598 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)cc2)c(C)c1 2331643788 REFJKBHFDRVWTC-UHFFFAOYSA-N 442.555 6.418 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(SCc2ccccc2C)nnc1C(C)C 2331675483 SRDGOPVNVHFHER-UHFFFAOYSA-N 430.577 6.046 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1 2331787026 XWSVTHCSPHRTEM-UHFFFAOYSA-N 428.528 6.416 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3)c(Cl)c2)cc1C 2331841130 VNKXHALRVPGQPX-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3cc(C)cc(C)c3)c(OC)c2)cc1C 2331854804 VQBWXHSQRPTBSJ-UHFFFAOYSA-N 444.527 6.053 30 10 IKEE CC(C)c1ccc(C=CC(=O)Nc2c(C#N)nnn2-c2ccc(Cl)c(Cl)c2)cc1 2332187133 CEOZNXHZXRVIIB-UHFFFAOYSA-N 426.307 5.221 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@@H](N)C#Cc2ccccc2Br)c(Cl)c1 2335951054 HXJVEPLZFKIZSQ-SFHVURJKSA-N 435.749 5.501 30 10 IKEE C[C@H]1CN(Cc2ccccc2)C[C@]1(C)CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2365102910 HDRZGRKEGBKAGN-SRCDGNTRSA-N 447.432 5.296 30 10 IKEE CCN[C@H](C#Cc1ccc(Cl)cc1)c1sc(Cl)cc1I 2366650767 RHMRNCSQFZERMB-CYBMUJFWSA-N 436.145 5.362 30 10 IKEE CO[C@H](C#C[C@H](N)c1ccc(Br)cc1NC(=O)OC(C)(C)C)C1CCCC1 2369594473 RJTZIUHATYEMQZ-PKOBYXMFSA-N 437.378 5.005 30 10 IKEE CC1=C(C(=O)Nc2cc(C)ccn2)[C@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N1 1010064 NBXXVQZRWGQZNE-NRFANRHFSA-N 441.453 5.015 30 10 IKEE COc1cccc(COc2ccc3c(c2)O/C(=C/C2=Cc4ccccc4O[C@H]2C)C3=O)c1 2130908 KLOVVVTVQKMDMX-HSOLMKNUSA-N 426.468 5.598 30 10 IKEE CCn1c2ccccc2c2cc(/C=N/c3ccc(-c4nc5ccc(C)cc5s4)cc3)ccc21 6392153 BARODRKTLSQBCK-UXHLAJHPSA-N 445.591 8.150 30 10 IKEE CCCCCCOc1ccccc1C(=O)NC(=S)Nc1sc2c(c1C#N)CCCC2 14032767 PBPODBKQTHAZJZ-UHFFFAOYSA-N 441.622 5.584 30 10 IKEE Cc1cc(C)cc(N/C(S)=C(/C(=O)c2ccc(OC(F)F)cc2)[n+]2cccc(C)c2)c1 20887963 BMHXXTVUCUCHMA-UHFFFAOYSA-O 441.523 5.552 30 10 IKEE CN(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2O)cc1 21225253 SKPYJJGGBHDNKB-CLYVBNDRSA-N 425.532 5.438 30 10 IKEE CN(C)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)cc1 21239494 CAXKNLYITGJPFL-CLYVBNDRSA-N 443.978 6.386 30 10 IKEE CCOc1ccccc1[C@@H]1C2=C(C[C@@H](c3ccc(OC)cc3)CC2=O)Nc2onc(C)c21 28052420 YMVQRNONNZPEBD-OSPHWJPCSA-N 430.504 5.349 30 10 IKEE C=CCn1c(S)nnc1-c1sc(NC(=O)c2cc3c(s2)CCCCCC3)nc1C 30669278 XTCWKQVSHIELIU-UHFFFAOYSA-N 445.639 5.158 30 10 IKEE C=CCc1ccccc1OCCCCn1c([C@@H](C)Oc2ccccc2)nc2ccccc21 40236288 BUOFADIJIQANAD-JOCHJYFZSA-N 426.560 6.764 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OC(=O)c4cccc(F)c4)cc(C)c3C2=O)c2ccccc21 41430717 PNHLCXANMDHXTK-CFRMEGHHSA-N 441.458 5.944 30 10 IKEE C=CCn1nc(SCC(=O)c2ccc(C)cc2)nc1-c1ccc(Br)cc1 72261436 KUJHKJYCDDLWRF-UHFFFAOYSA-N 428.355 5.177 30 10 IKEE O=C(/C=C\c1c(F)cccc1Cl)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O 96609560 VFQDPWUHNVOCHI-BENRWUELSA-N 438.285 6.537 30 10 IKEE O=C(/C=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1cccc(N2CCOCC2)c1 96794646 YGQOEVZOLKDXFJ-YVMONPNESA-N 428.315 5.986 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 100205700 RGCVCQQCXWNGCU-RUZDIDTESA-N 445.732 8.349 30 10 IKEE Cc1ccc(/C=C\C(=O)C(C(=O)/C=C/c2ccc(C)cc2)=C2SCCCCS2)cc1 101659780 HBGLUKZHRMBMMF-VCFJNTAESA-N 434.626 6.640 30 10 IKEE CCCCCCCCCCCn1c(CNC(=O)c2cccc(OC)c2)nc2ccccc21 102218682 NOOXNIKSBDYLRB-UHFFFAOYSA-N 435.612 6.506 30 10 IKEE CC(C)(C)c1ccc(/C=C2/Oc3cc(OCC(=O)OCc4ccccc4)ccc3C2=O)cc1 102726298 IQRUMJSJJLPXDB-MFKUBSTISA-N 442.511 5.723 30 10 IKEE C=CCn1c(C(=O)Nc2nc(C)c(C(=O)OCC)s2)c(C)c2cc(C(C)C)ccc21 169874139 PIBXWDOWLURFFR-UHFFFAOYSA-N 425.554 5.453 30 10 IKEE CCOc1cc(/C=N/Nc2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1Cl 169885353 LNRNCWIMSINSMI-VULFUBBASA-N 445.346 6.426 30 10 IKEE CCN1C(=S)N[C@@H](c2cccc(OCc3ccccc3Cl)c2)C2=C1CCCC2=O 169932917 DUVKBHFTEDLMMU-QFIPXVFZSA-N 426.969 5.177 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C)cc2C)c1 169935553 FXVSDFXBZWAMLM-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@H](c2cc(Cl)c(OC(C)C)c(Cl)c2)NC(=S)N1 169938041 YTNHCMIEDMDWID-SFHVURJKSA-N 435.376 5.456 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc(C)c(C)c2)=C(O)C(=O)N1Cc1cccs1 169939552 DXTLTTOYKGOGTK-QFIPXVFZSA-N 433.529 5.152 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccc(O)cc2)ccc1F 169961352 MYMLQCNPHIWHPB-NRFANRHFSA-N 437.854 5.276 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(C)c1 169970502 DNUWZOBRTVNKIN-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(OC)cc1 170116032 XSSSLEOMTVVLKA-LJQANCHMSA-N 434.319 5.380 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(O)cc2)c1 170133146 WJQGBFJGXXMWCS-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)[C@@H]2c2cccs2)c1 170156734 OBKYTVDMUHSNHT-NRFANRHFSA-N 449.915 6.239 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2cccs2)c1 170158361 AOAHZLKWGROCOS-XMMPIXPASA-N 443.568 6.027 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2cccnc2)c1C 170187675 PYPKUBJNKLNBGL-XMMPIXPASA-N 442.515 5.269 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)cc(C)c3OC)[C@@H]2c2ccccc2)cc1 170224263 JXSGYFFWYACJKL-DEOSSOPVSA-N 441.527 5.657 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccccc2)c1 170225734 KWUQAMUNFJOFGN-VWLOTQADSA-N 441.527 5.875 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccccc1C 170272639 VDOHRIPAGPQBGG-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccco1 170283981 ZXCXFNNLWZMBEF-HSZRJFAPSA-N 443.886 6.178 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2sccc2C)cc1 170315523 LXRPJZLACPHZLT-OAQYLSRUSA-N 433.529 5.547 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@@H]1c1sccc1C 170319246 RWMPEZNWELWZRO-OAQYLSRUSA-N 441.593 5.860 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(C(C)(C)C)cc2)c1 170345783 FKPRYKRKLLUNKS-JOCHJYFZSA-N 431.488 5.369 30 10 IKEE CCn1c(N=Cc2c(O)c(C(C)(C)C)cc3oc4c(c23)CCCC4)nc2cc(C)c(C)cc21 252600981 DWPZGMQPYAXYQM-UHFFFAOYSA-N 443.591 7.052 30 10 IKEE Cc1c(N=Cc2ccc(Sc3nc4ccccc4s3)o2)c(=O)n(-c2ccccc2)n1C 252616789 KFIGDALUGGHDDJ-UHFFFAOYSA-N 446.557 5.589 30 10 IKEE CCOc1cc(/C=C2/SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)ccc1O 252621799 NGXRSFDDJYYEKR-GUGSDYAWSA-N 444.556 6.216 30 10 IKEE Cc1ccc(NC(=S)NN=CC2=C(N3CCOCC3)/C(=C/c3ccccc3)CC2)c(C)c1 254405480 ODHIEOXAGCAVSC-JTQPGYGNSA-N 446.620 5.039 30 10 IKEE CCCCSc1nnc(C(F)F)n1N=Cc1ccc(COc2ccc3c(c2)CCC3)o1 254749346 PTJXCVUKMLEYAD-UHFFFAOYSA-N 446.523 5.651 30 10 IKEE Cc1sc2nc(Cc3noc(-c4sc5ccc(C#N)cc5c4C)n3)nc(O)c2c1C 426447076 GJHGEEXTAPOYDG-UHFFFAOYSA-N 433.518 5.049 30 10 IKEE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2cccc(C#N)c2)[C@H]1c1cccs1 526523309 VLDRYRKARRQZCC-NRFANRHFSA-N 432.501 5.084 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)c1 526772087 BVOIIUXZNHMJPW-HSZRJFAPSA-N 447.918 5.830 30 10 IKEE CCOc1cc(/C=N\n2c(CC)nnc2SCc2ccccc2)cc(Cl)c1OCC 526799175 HEJZWHXMFPVZLM-OYKKKHCWSA-N 444.988 5.466 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccc(F)cc2)c1 526819951 PQNZPDRSKZDIER-YUMHPJSZSA-N 430.552 5.799 30 10 IKEE CCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1ccc(OC)c(OC(C)C)c1 526825185 NHZWRVBWUZYXGC-QFEZKATASA-N 442.560 5.340 30 10 IKEE CSc1nc(O)c(C(=O)Nc2ccc(OCc3cccc(Cl)c3)cc2C)cc1C#N 609077728 TYMHTYZHCITYQF-UHFFFAOYSA-N 439.924 5.174 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)C(C#N)(Cc1ccccc1)Cc1ccccc1 698404895 GHQYIOAWICWMIU-UHFFFAOYSA-N 426.560 6.171 30 10 IKEE CC(C)c1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)cc1 698460026 UOTGTZCGVQQBDD-FQEVSTJZSA-N 429.358 6.579 30 10 IKEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@@H](C#N)c1cccc(Br)c1Cl 706530959 SDQOLSDBPIFMPD-NSHDSACASA-N 427.648 5.467 30 10 IKEE C=C([C@@H](NCCC)c1ccc(I)c(Br)c1)C(F)(F)F 721628150 HDYRTEFVUWHZEL-GFCCVEGCSA-N 448.064 5.213 30 10 IKEE O=C(Nc1ccccc1F)[C@@H]1CC(=O)N(CCc2ccccc2)C(=Nc2ccccc2)S1 725432391 SSIPOBYVWZJWFL-QFIPXVFZSA-N 447.535 5.029 30 10 IKEE COc1cccc(-c2nn(C(C)(C)C)cc2/C=C/C(=O)c2ccc(C(F)(F)F)nc2O)c1 759664757 BQUJDZCTPRZPAR-CSKARUKUSA-N 445.441 5.329 30 10 IKEE COc1ccc(Cl)c(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2ccc(C)cc2)c1 762440435 QUASABQRDHHDHL-UHFFFAOYSA-O 436.944 5.140 30 10 IKEE Cc1ccc(-c2nc(N=Cc3cccc([N+](=O)[O-])c3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 1084012768 FJMOPPMLJWQWDQ-UHFFFAOYSA-N 444.472 6.353 30 10 IKEE CCOC(=O)c1sc(N=Cc2ccc3c(c2)c2ccccc2n3CC)c(C(=O)OC)c1C 1084069317 ROUUVKMNAPRWHT-UHFFFAOYSA-N 448.544 5.898 30 10 IKEE COc1cccc(C(CSc2nc3ccccc3o2)=NNc2cccc([N+](=O)[O-])c2)c1 1084530469 PQJNISQDIYBBEV-UHFFFAOYSA-N 434.477 5.353 30 10 IKEE Oc1ccccc1N/C(=N/Cc1cc(Br)ccc1F)NCc1cccs1 1088735644 ZUADXILQXMLWQS-UHFFFAOYSA-N 434.334 5.113 30 10 IKEE Cc1csc(N=C2S/C(=C/c3cccc4ccccc34)C(=O)N2C2CCCCC2)n1 1772736264 IUFAFPPWGBBSJE-MALGGUPZSA-N 433.602 6.541 30 10 IKEE NC(=S)N/N=C\c1cn(-c2ccc(Oc3ccccc3)cc2)nc1-c1cccc(Cl)c1 1857807028 RBVNKHMKIVXFTB-WGARJPEWSA-N 447.951 5.152 30 10 IKEE N#Cc1cccc(NC(=O)Oc2cccc3c(NC(=O)c4ccc5cc[nH]c5c4)cccc23)c1 1858779895 SEVWNLMEQGEWOF-UHFFFAOYSA-N 446.466 6.056 30 10 IKEE CCc1ccccc1NC(=O)Oc1cccc2c(NC(=O)c3cccc(C#N)c3)cccc12 1858779942 HJCIRKCZPBMAJA-UHFFFAOYSA-N 435.483 6.137 30 10 IKEE CCc1ccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)nn2Cc2cccc(Cl)c2)cc1 1859399965 ADSNJCYMJOAUDP-UHFFFAOYSA-N 440.934 5.938 30 10 IKEE CCCCCCCCCCn1c(C)cc(OCc2cc(=O)c(OCCC)c[nH]2)cc1=O 1860784870 IOSHBYXHZJDZLH-UHFFFAOYSA-N 430.589 5.354 30 10 IKEE CCCCCCCCNC(=O)[C@H](NC(=O)/C=C/c1ccc(OCC)cc1)c1ccccc1 1861581873 RJNZKZQYEVCGSU-CIEQNIFPSA-N 436.596 5.433 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](C)NC(=O)COc1cc(C)c(Cl)c(C)c1 1861633168 WXHBEJMVFLGTKI-IBGZPJMESA-N 425.013 5.097 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(OC)c(F)c2)n(-c2ccccc2Cl)n1 1862367865 AMEQIGBIWVOJDJ-UHFFFAOYSA-N 425.891 5.155 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccccc1C(=O)O 1862384136 PMSGPNKCTSDNMA-VOJFVSQTSA-N 448.302 5.068 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2cc(C)ccc2C)c1 1862411901 QXGCKNNGIAHSII-XMMPIXPASA-N 447.481 5.669 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccccc1Cl 1862417570 USAJJWXXJAMQSG-DYHNYNMBSA-N 445.893 5.775 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2c(F)cc(F)cc2F)=C(O)C(=O)N1Cc1ccccc1 1862455945 GRADOJUTHARJAU-QFIPXVFZSA-N 437.417 5.191 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862476938 GQLJMPKINQZVCG-AREMUKBSSA-N 443.587 6.587 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2cccs2)cc1 1862489260 SXRAFQAWBUWWSL-HSZRJFAPSA-N 431.557 5.706 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccccc2Cl)cc1 1862535156 AQFCNRHMCBNUIX-VZPUWSDOSA-N 437.967 6.059 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C(C)C)cc3)[C@H]2c2ccccc2)cc1 1862660136 IYRLHZXDPALGQH-RUZDIDTESA-N 425.528 5.897 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862674072 SCNXFJZZTKHLEI-BXKMTCNYSA-N 429.491 5.728 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 1862675586 PCJZJAISQLTIJL-HSZRJFAPSA-N 449.909 5.690 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1cccc2ccccc12)c1ccc(F)cc1 1862678651 SXVLPTJNBDXPDM-QHCPKHFHSA-N 443.499 5.819 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@@H]2c2cccc(C)c2)cc1 1862686991 FTBPKMDYLBUDNW-RUZDIDTESA-N 441.527 5.133 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccccc1C 1862721916 LWFRLLGVMJNIRC-AREMUKBSSA-N 439.555 6.431 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(Cl)cc3)C2=O)c1 1862789256 FLDLELGVDMIMQS-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE Cc1ccccc1NC1=C(c2cc(Cl)ccc2Cl)C(=O)N(c2ccccc2C#N)C1=O 1863018157 OFAOEPWPNKAZIS-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE N#Cc1cccc(NC2=C(c3cccc4ccccc34)C(=O)N(CCc3cccs3)C2=O)c1 1863226354 VWQIRBSIYCTIMY-UHFFFAOYSA-N 449.535 5.208 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(Cc3cccc(Cl)c3)C2=O)cc1C 1863254191 PXFUYGMGKBTWIU-UHFFFAOYSA-N 441.918 5.221 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(OCCCCCC)cc2)=C(c2ccc(F)cc2F)C1=O 1863310459 JEOOWCKBESWASJ-UHFFFAOYSA-N 440.490 5.302 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(Cl)c2C)=C(c2cccs2)C1=O 1863470089 GLEXMTLBDQJXSN-UHFFFAOYSA-N 431.001 6.262 30 10 IKEE CCCCCCCCNC1=C(c2cccc3ccccc23)C(=O)N(C[C@@H]2CCCO2)C1=O 1863577385 DVZROBFGAVUNLU-NRFANRHFSA-N 434.580 5.049 30 10 IKEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2C)[C@H]1c1cccc2ccccc12 1864168284 MBCLFJHXXPKWGD-HSZRJFAPSA-N 446.595 5.053 30 10 IKEE CCOc1ccc(N(C(=O)c2cccc(C#N)c2)C2CCN(Cc3ccccc3)CC2)cc1 1865849691 VCPUESDGMHLOFC-UHFFFAOYSA-N 439.559 5.268 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1c(Cl)cccc1Cl 1866029756 FUOQDAWIIKDJQR-UHFFFAOYSA-N 428.488 9.193 30 10 IKEE CC(C)[C@H]1c2ccccc2CCN1c1cc(Nc2ccc(C#N)cc2)nc(-c2ccccc2)n1 1868376407 LRJDDEGRKIMHRV-NDEPHWFRSA-N 445.570 6.519 30 10 IKEE Cc1nc(Nc2ccccc2C#N)cc(N2CC(C)(C)c3ccccc3[C@H]2c2ccccc2)n1 1868490979 ZRTFVFYFJIFUQX-MUUNZHRXSA-N 445.570 6.288 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC[C@@H](C(=O)CCCc3ccccc3)C2)nc(C(C)C)n1 1869105020 CHUUNRHVAJQAMF-XMMPIXPASA-N 446.639 5.587 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)nc(C(C)(C)C)n1 1869185819 AWPWHBMHSAJXRU-QHCPKHFHSA-N 432.656 6.592 30 10 IKEE CCCCCCCCn1cc(OCC(=O)Nc2ccc([C@@H](C)CC)cc2)c(=O)cc1C 1870084211 VIBAJXHPHPITCK-FQEVSTJZSA-N 426.601 6.048 30 10 IKEE C#CCOc1cn(CCC(C)C)c(CN(Cc2ccccc2)Cc2ccccc2)cc1=O 1870562454 HGAXDCZYGQRERR-UHFFFAOYSA-N 428.576 5.109 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCCOc2ccc(C)cc2)cn1CCCCC 1870777987 VVNLMQPOZNSIHH-UHFFFAOYSA-N 438.612 5.369 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2C)c(CNc2ccc(C)cc2)cc1=O 1870835818 KIEBUZSLXQMQDB-UHFFFAOYSA-N 432.608 6.475 30 10 IKEE CCCCCCCOc1cn(CCO)c(CNc2ccc(Cl)c(Cl)c2)cc1=O 1870838833 WSHFEUFXPDGLRN-UHFFFAOYSA-N 427.372 5.109 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OC(C)C)c(=O)cc1CNc1ccccc1C 1870907382 NPGNTAMKZLBWHK-UHFFFAOYSA-N 442.600 5.460 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1 1871450704 NOEADWLMLPMNLZ-WTTSBOSASA-N 441.527 6.142 30 10 IKEE C=CCN(CC=C)c1nc(=NCCC(C)C)nc(Nc2ccc(-c3ccccc3C)cc2)[nH]1 1871638730 OMPKPNYPTKITTN-UHFFFAOYSA-N 442.611 5.649 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Cl)cc1C)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1872506882 HWPTYNJXVDDUGT-HTAPYJJXSA-N 449.016 5.269 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(F)cc3F)cs2)cc1OC 1872766085 BVVZZKFWNARUTL-AUNFYEFLSA-N 440.471 5.385 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(Cl)c(Cl)c3)n2)c(OC)c1 1872784371 RYBLZKZYHLZKMR-OAHLLOKOSA-N 447.343 5.553 30 10 IKEE COc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2cc(C)c(Cl)cc2OC)cs1 1872786308 HHOWIBGUZZDRDN-HNNXBMFYSA-N 442.924 5.044 30 10 IKEE C=CCN(CC=C)C(=O)c1ccc2nc(COc3ccc(OC)cc3C(C)(C)C)[nH]c2c1 1872795695 RWDFJAMVIFIJOI-UHFFFAOYSA-N 433.552 5.262 30 10 IKEE N#Cc1ccc(NC(=O)c2ccc(CN(Cc3ccccc3)Cc3ccccc3)cc2)cc1 1872885373 YBFMJCVMQXCGLS-UHFFFAOYSA-N 431.539 6.013 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(C)cc1)n2CCCC 1873621317 PQCUTRZJOWTBQE-UHFFFAOYSA-N 435.616 6.565 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874230910 JBJFSGPHABXMCG-WSDLNYQXSA-N 445.932 5.111 30 10 IKEE Fc1cccc(/C=N/n2c(Cc3ccc(Cl)cc3)nnc2SCc2ccccc2)c1 1874342478 RYTKPPRAKLTLNE-CVKSISIWSA-N 436.943 5.836 30 10 IKEE C=CCSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874359755 XMUWNOKZMCRJBZ-VULFUBBASA-N 430.499 5.665 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3cccs3)n2/N=C/c2ccccc2)c1 1874371373 WFCLRDBADQAASV-PCLIKHOPSA-N 432.618 5.916 30 10 IKEE Cc1cccc(CSc2nnc(C3CCCC3)n2/N=C/c2ccc(Cl)cc2Cl)c1 1874454152 CKVAMCVISOQFRF-DHRITJCHSA-N 445.419 6.725 30 10 IKEE COc1cccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2-c2ccco2)c1 1874467466 KGFQLTJCUFBRCY-WGOQTCKBSA-N 440.528 5.874 30 10 IKEE COc1cc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C2CCC2)cc(Cl)c1O 1874495118 VJYAIJWBYIHTGW-BHGWPJFGSA-N 446.935 5.227 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)cc2C)c1 1874572629 XNHXMCAEACXACO-DHZHZOJOSA-N 449.934 5.879 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2)cc1 1874577882 KEDAQTBRKRYKRN-GXDHUFHOSA-N 435.907 5.652 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)cc1 1874579394 LEIIPIGHYXJSQB-JXMROGBWSA-N 431.746 7.430 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(F)c(F)c2)c1OCc1cccc(Cl)c1 1874585576 ZCJWKIBPSXIYNT-SOFGYWHQSA-N 449.280 6.755 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1c(OCc2ccc(C)cc2)ccc2ccccc12 1874586034 SENPTUFGWFBPSG-CCEZHUSRSA-N 436.551 7.249 30 10 IKEE C=C(C)COc1c(OC)ccc(/C=C/C(=O)c2ccc3ccccc3c2)c1Br 1874592989 MJTWVKZXGFKMMB-ZRDIBKRKSA-N 437.333 6.462 30 10 IKEE CCc1ccccc1NC(=O)COc1cccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c1 1874594715 YSQNOTDUTQMOIM-XNTDXEJSSA-N 430.460 5.071 30 10 IKEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3cccc4ccccc34)cc2OC)o1 1874623264 UCJPTKIKGKMNOF-JLHYYAGUSA-N 442.467 5.703 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OCc1ccc(Cl)cc1Cl 1874627558 POBNTGPVXJKNET-KRXBUXKQSA-N 449.280 6.755 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)ccc1OCC(=O)OCC(C)C 1874637639 KFZDHVTZJVXYDA-CSKARUKUSA-N 440.536 5.185 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1cccc(/C=C/C(=O)c2ccc3ccccc3c2)c1 1874692731 VITRXFJCSJROEL-OBGWFSINSA-N 442.514 7.037 30 10 IKEE O=C(Cc1ccc(Cl)c(Cl)c1)Oc1cccc(/C=C/C(=O)c2ccc(Cl)cc2)c1 1874700692 HUZFKPKVXCOXQL-VZUCSPMQSA-N 445.729 6.691 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@H](C)Oc3ccc(Cl)cc3)c2)cc1C 1874714343 QLELIDGKJDEMJI-MOXPCZPISA-N 434.919 6.226 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2)c(C)c1 1874716117 BKORELCSHGJSBC-JXMROGBWSA-N 449.890 6.289 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)c1ccncc1 1875111664 HOLGJUKBZPMVFT-BQYQJAHWSA-N 442.298 5.902 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OC(=O)[C@H](C)c1ccccc1 1875126969 IQEFSOZWTJLOKZ-LGHUBQEGSA-N 434.919 6.344 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3ccccc3)c(OC)c2)cc1 1875137357 ISJGPMDBJFTTEP-XNTDXEJSSA-N 446.499 5.608 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)C3CCC3)c(OCC)c2)cc1 1875138790 XDIWGUNETJXZTK-MDWZMJQESA-N 442.939 6.129 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)c1sccc1C 1875139899 GTRLHXBEKQQXPX-ZHACJKMWSA-N 446.568 6.526 30 10 IKEE C[C@@H](C(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1Cl)c1ccccc1 1875149835 KCHQINOOHLZDPU-OJXHRBAXSA-N 434.875 5.674 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1ccc(F)c(F)c1 1875163434 KTUMUENUFXRJQK-KRXBUXKQSA-N 430.353 5.367 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)c(OC)cc2OC)cc1OCC 1875174442 QXZAVUQQQBTMJR-PKNBQFBNSA-N 446.927 5.748 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3cc(Cl)ccc3Cl)cc2)c(C)c1 1875182500 GLDWKTIEHFEMEL-IZZDOVSWSA-N 439.338 7.034 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc(Cl)c1OC(=O)CC 1875189467 RPUGCVQXUIVSGC-VMPITWQZSA-N 427.711 6.257 30 10 IKEE N#Cc1cccnc1OCC1CCN(C(=O)[C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 1891449541 SBHKVHZLCVBODO-XMMPIXPASA-N 445.950 5.056 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@](C#N)(N(C(=O)OC(C)(C)C)C1CCCCCC1)C2 1950028016 IGBPSUATKPYDOJ-WVMBUTMQSA-N 433.593 5.238 30 10 IKEE N#Cc1cc(Cl)ccc1NCCCONC(=O)OCC1c2ccccc2-c2ccccc21 1959288362 CKMXNADNSHKUHE-UHFFFAOYSA-N 447.922 5.484 30 10 IKEE CC#CCCCC[C@@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 2019508512 JCYFHDZWQYXNET-ZEQRLZLVSA-N 430.633 5.439 30 10 IKEE C=C(C)[C@@H]1CC[C@@]2(C(=O)O)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)C(=O)C[C@@]34C)[C@H]12 2053639282 NUDCZUBEFGYVSS-BJFHNYRPSA-N 440.668 6.908 30 10 IKEE CCC#CC[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCCC 2053827355 RSENWCUTFDBHGD-XMMPIXPASA-N 441.660 5.108 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1c(Cl)ccc(Br)c1F 2058352281 OXYGXHWCXJAHOG-XJKSGUPXSA-N 435.765 5.362 30 10 IKEE COC(=O)c1c(C(C)(C)C)nn(Cc2cc(C(F)(F)F)ccc2F)c1C(F)(F)F 2079025765 PBPFXUUFOSEBER-UHFFFAOYSA-N 426.332 5.192 30 10 IKEE CC(C)c1nn(Cc2c(F)cccc2C(F)(F)F)c(C(F)(F)F)c1Br 2079040042 IPHRFRFDRYHOAY-UHFFFAOYSA-N 433.165 5.994 30 10 IKEE CCCc1ccc([C@@H](n2nc(C3CC3)c(C#N)c2I)C(C)(C)C)cc1 2079844900 OOFFXNNIOWPIPX-LJQANCHMSA-N 447.364 5.825 30 10 IKEE COc1ccc([C@H](C2CCC2)n2nc(C(F)(F)F)c(C=NO)c2Br)c(C)c1 2079944692 VEGZIEGPFNUHSD-HNNXBMFYSA-N 446.267 5.179 30 10 IKEE CCOC(=O)c1c(C(F)(F)F)nn([C@H](c2ccc(C(F)(F)F)cc2F)C(C)C)c1N 2079956859 IAFIRJUHFWMHOS-ZDUSSCGKSA-N 441.347 5.064 30 10 IKEE CC[C@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)(F)F)c(N)c1Br 2079976638 AMANAIUJMYRBPT-SECBINFHSA-N 434.153 5.404 30 10 IKEE Cc1cc(O)c([C@H](n2nc(C(C)(C)C)c(C=NO)c2Br)C2(C)CC2)cc1C 2080021974 CXEWNDWNVMLVKD-SFHVURJKSA-N 434.378 5.463 30 10 IKEE CC(C)Oc1ccc([C@H](C2CC2)n2nc(C(F)(F)F)c(C#N)c2Br)cc1 2080057647 LZLZCOACXSJYGB-HNNXBMFYSA-N 428.252 5.323 30 10 IKEE CCCOc1ccc([C@@H](CC)n2nc(C3CC3)c(C#N)c2I)cc1 2080063042 XGGDBDFYVLYXQP-QGZVFWFLSA-N 435.309 5.025 30 10 IKEE N#Cc1c(C2CCCCC2)nn(Cc2ccc(I)cc2)c1Cl 2080388561 SVPGPOKKBCVWOJ-UHFFFAOYSA-N 425.701 5.109 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cccc(Br)c1Cl 2081389243 UWVDNMZQZGWCEJ-RDJZCZTQSA-N 431.802 5.613 30 10 IKEE CCCCCC#CCC(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2083494282 PQELOXNEOKNGNL-UHFFFAOYSA-N 440.628 5.479 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(Br)ccc(Cl)c1F 2102883055 UXQYTPQEESZRFD-WMLDXEAASA-N 447.776 5.199 30 10 IKEE CCCCCCCCC[C@H](N)[C@@H](O)c1scc(Br)c1Br 2150581616 GQTILOWXJHPFRB-GXTWGEPZSA-N 427.246 5.775 30 10 IKEE CC(C)CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(C#N)cc1Br 2174808944 UHQBINARTLQWNA-KRWDZBQOSA-N 436.394 5.183 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(Br)c(C#N)c2)C[C@H]1C1CCC1 2194105406 VNXDAMPNVGDPSE-MJGOQNOKSA-N 434.378 5.301 30 10 IKEE C=CC[C@@](C)(CO)N(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(OC)cc1 2211047626 YTORCANFUDNWGD-NDEPHWFRSA-N 443.543 5.778 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@H](C#N)c1sc(Cl)cc1Br 2250686689 DHNHAKUGQATNAB-ZDUSSCGKSA-N 433.799 6.298 30 10 IKEE CC1(C)OB(c2ccnc(Nc3c(Cl)cc(Cl)cc3Br)c2)OC1(C)C 2266064772 DNSVUYHBQXSFOD-UHFFFAOYSA-N 443.965 5.194 30 10 IKEE C=CCCC1([C@@H](N)c2ccc(Cl)c(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2266318476 SGGLBBRJNRZXTA-INIZCTEOSA-N 447.776 5.445 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(OC)c(Br)s1 2278274927 PSMFHBLKDRGDCM-CZUORRHYSA-N 447.439 5.419 30 10 IKEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccccc2)cc1 2296136090 PSLUQRXRSBXHTG-NRFANRHFSA-N 444.487 5.370 30 10 IKEE CCN[C@@H](C#Cc1cccc(Br)c1)c1ccc(NC(=O)OC(C)(C)C)cc1 2296274410 ULFFRMXJVWQABS-FQEVSTJZSA-N 429.358 5.498 30 10 IKEE CC(C)(C)c1ccc(C(=O)N2CCN(c3oc(C=Cc4cccs4)nc3C#N)CC2)cc1 2296746643 GOXPVVIIQFTAGJ-UHFFFAOYSA-N 446.576 5.038 30 10 IKEE Cc1cc(C)cc(CN=C2NC(=O)C(=Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)c1 2313511271 XKSOHNPALMLYTR-UHFFFAOYSA-N 433.489 5.232 30 10 IKEE O=C(C=Cc1cccc(C(F)(F)F)c1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2314487791 SDRUZCMGTUVUDP-UHFFFAOYSA-N 427.266 6.395 30 10 IKEE Cc1cccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccc(Cl)cc2)C4)c1 2321958216 CNPHJCAWSLTFOT-UHFFFAOYSA-N 431.919 5.925 30 10 IKEE CCCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(N(CC)CC)cc1)C3=O 2322052082 ZTHAJFVLYQARLR-UHFFFAOYSA-N 434.580 5.800 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(N(C)C)cc1)O3)CN(Cc1ccccc1F)CO2 2322057032 QEDULBMZNJLHAR-UHFFFAOYSA-N 444.506 5.168 30 10 IKEE CCCCCOc1ccc(C=Nn2c(S)nnc2COc2ccc(Cl)c(C)c2)cc1 2322211756 VMEBVRHXXFBUPL-UHFFFAOYSA-N 444.988 5.559 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCC(=O)Nc2ccccc2)cc1 2322356864 ZPNIITJATUWJIB-UHFFFAOYSA-N 449.934 5.825 30 10 IKEE Cc1ccc(CCN2COc3c(cc4c(c3C)OC(=Cc3ccccc3F)C4=O)C2)cc1 2322433358 FAAQCTAJGIXCMC-UHFFFAOYSA-N 429.491 5.453 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccccc2OCc2ccc(C)cc2)cc1OCCC 2322502428 GDYWJMQENBJXSG-UHFFFAOYSA-N 444.571 7.048 30 10 IKEE Cc1ccc(C(=O)C=Cc2c(OCC(=O)Nc3nccs3)ccc3ccccc23)cc1 2322591617 QUNVJRADYWPCPF-UHFFFAOYSA-N 428.513 5.518 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)cc1 2322595994 LEIIPIGHYXJSQB-UHFFFAOYSA-N 431.746 7.430 30 10 IKEE Cc1cc(OC(=O)C2CCCCC2)cc2c1C(=O)C(=Cc1c(Cl)cccc1Cl)O2 2322747997 XOGKZGJVQOJRNW-UHFFFAOYSA-N 431.315 6.404 30 10 IKEE Cc1ccc(COc2ccc3ccccc3c2C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1 2322953217 JQKCTUDKTWRMHH-UHFFFAOYSA-N 448.606 8.229 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OCC(=O)N[C@H](C)c1ccccc1 2323157726 ICSFZZLGLDHCBG-OAQYLSRUSA-N 443.543 5.464 30 10 IKEE CCOc1ccc(CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1 2323371038 SSMKEBCDLHFIMH-UHFFFAOYSA-N 448.902 5.811 30 10 IKEE CCOc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2323511480 GGPYJFZFVQTCIA-UHFFFAOYSA-N 446.886 5.974 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(CCCC)cc2)cc(OC)c1OCC(=O)NCCC 2323556492 NEBLHMJUMFNFHM-UHFFFAOYSA-N 449.591 5.567 30 10 IKEE C[C@H]1CCCCN1Cc1c(O)ccc2c1OC(=Cc1ccccc1Br)C2=O 2324010264 PXSJUPDTQGYUAN-AWEZNQCLSA-N 428.326 5.145 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OCc3ccc(C)cc3)c(Cl)c2)cc1C(C)C 2324262376 BOSSDGANBMWXTA-UHFFFAOYSA-N 448.990 7.564 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1C)OC(=Cc1ccncc1)C2=O 2324345714 GYMBKFMTDNPXKK-SFHVURJKSA-N 442.515 5.283 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)c(OC)cc2C)ccc1OCC(=O)OCC(C)C 2324644514 KFZDHVTZJVXYDA-UHFFFAOYSA-N 440.536 5.185 30 10 IKEE COc1cccc(C=C2Oc3cc(OCCOc4cccc5ccccc45)ccc3C2=O)c1 2324693795 XNLUFQJRULPPPK-UHFFFAOYSA-N 438.479 5.922 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cc(OC)c(OCc2ccccc2)c(OC)c1 2324694057 GOCSKAQDJCYEPR-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE COc1ccc(OCCCOc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2324697008 DIAHXPOEZCNTDC-UHFFFAOYSA-N 436.891 5.813 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1ccc2c(c1)OC(=Cc1cccc(OC)c1)C2=O 2325005117 GTGHVMCTXWCMKF-UHFFFAOYSA-N 443.499 5.200 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1ccc2c(c1)OC(=Cc1ccc(CC)cc1)C2=O 2325092634 CENJUXNCNPSRKY-HSZRJFAPSA-N 436.548 6.146 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1ccccc1F)C2=O 2325142199 ZPRBFAFFCAELRP-GOSISDBHSA-N 445.490 5.773 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(O[C@H](C)C(=O)Nc3c(C)cccc3C)c2C)C1=O 2325145533 RNNTZCLCDUNAKF-HXUWFJFHSA-N 441.527 5.942 30 10 IKEE O=C(C=Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1 2325630935 QVFXSOLOAXYYCE-UHFFFAOYSA-N 436.851 5.048 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(OC(C)=O)cc3)c2)cc1C 2325714757 HABFOHCRLYVZCD-UHFFFAOYSA-N 430.456 5.044 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(Cl)cc3)c2)c(OC)c1 2325761230 JQUQXBKFSMLKQM-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1sccc1C 2326091375 DMFGARLJWHKZSG-UHFFFAOYSA-N 435.018 5.697 30 10 IKEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C[C@H]1CC(C)C 2326269610 BUXVPPGABCTPOF-ATIYNZHBSA-N 444.616 5.191 30 10 IKEE CCCCOc1cccc(C=Nn2cnnc2SCc2ccc(Cl)c(Cl)c2)c1 2326489241 FRHPAGJUAHFGCF-UHFFFAOYSA-N 435.380 5.938 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc(F)cc1F 2326592308 KAMNEYPZGVJKDO-UHFFFAOYSA-N 448.542 6.045 30 10 IKEE CCOc1cc(C=Nn2c(CC)nnc2SCc2ccc(C#N)cc2)ccc1OC(C)C 2326661159 QGVGVHOERNXZOJ-UHFFFAOYSA-N 449.580 5.073 30 10 IKEE CCCSc1nnc(COc2ccccc2Cl)n1N=Cc1cc(Cl)ccc1O 2327674460 HXGNJNKDDLRCRI-UHFFFAOYSA-N 437.352 5.254 30 10 IKEE CCCCC1CCC(c2nnc(SCC(=O)OCCC)n2N=Cc2ccccn2)CC1 2328217400 CFGKCWQWAJPWGG-UHFFFAOYSA-N 443.617 5.065 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2ccc(O)cc2)cc1 2329941860 DGKAMOUUBIEFSA-UHFFFAOYSA-N 428.561 5.366 30 10 IKEE Cc1cccc(C=Nn2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2cccs2)c1 2330556546 DNLJHKLNZDMJGP-UHFFFAOYSA-N 435.534 5.398 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2ccc(C(C)(C)C)cc2)cc1 2330627154 NDIGMVFMAYOHCR-UHFFFAOYSA-N 440.616 6.726 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1OC(=O)CC 2330819403 GNPZYDNFMHPRBI-UHFFFAOYSA-N 427.711 6.257 30 10 IKEE CC(C)(C)Cc1nnc(SCCc2ccccc2)n1N=Cc1cc(Cl)ccc1O 2330852057 HGUSFCAVDOJKLT-UHFFFAOYSA-N 428.989 5.443 30 10 IKEE CCCOC(=O)CSc1nnc(CC(C)(C)C)n1N=Cc1c(Cl)cccc1Cl 2330881188 OBWOTUWUNPBBLD-UHFFFAOYSA-N 443.400 5.101 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)cc3)cc2OCC)c1 2330979879 FVHNTPGPGMKRKF-UHFFFAOYSA-N 446.499 5.608 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)Cc1cccs1 2331040613 OKGCZPSXCHLHCT-UHFFFAOYSA-N 437.473 5.099 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)CSc2ccccc2)c(Cl)c1 2331063679 JIFGQMGDPRZVAT-UHFFFAOYSA-N 438.932 5.942 30 10 IKEE O=[N+]([O-])c1cc(C=Nn2c(SCc3ccccc3)nnc2C2CCCC2)ccc1Cl 2331069527 LSSXIJKATCSLIE-UHFFFAOYSA-N 441.944 5.672 30 10 IKEE CC(C)(C)CC(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1Br 2331145431 PUOWTEFTCOSRTR-UHFFFAOYSA-N 435.745 6.340 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2Br)cc1 2331167819 ZRGSYUACLMZCQJ-UHFFFAOYSA-N 435.317 5.802 30 10 IKEE CCCN(CCC)C(=O)CSc1nnc(C(C)(C)C)n1N=Cc1ccc(C(C)C)cc1 2331403812 KNQDMMXDBOEKLH-UHFFFAOYSA-N 443.661 5.322 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccccc1C 2331424900 MIRBWWFZGDOBAO-UHFFFAOYSA-N 442.555 6.807 30 10 IKEE C[C@H](C(=O)Oc1ccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1)c1ccccc1 2331592653 NFSOGOSMXFVAPU-QFIPXVFZSA-N 448.518 7.084 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc(Cl)c1OC(=O)c1ccco1 2331658963 AYZJRYXFJITDPH-UHFFFAOYSA-N 440.879 5.682 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccnc3)c(OC)c2)c(OCC)c1 2331740004 YOARVCYRRJRMFR-UHFFFAOYSA-N 447.487 5.003 30 10 IKEE C=C1C[C@@]23CC[C@H]4[C@](C)(C(=O)O)[C@@H](OC(=O)C=Cc5ccccc5)CC[C@]4(C)[C@@H]2CC[C@H]1C3 2333122824 BJQOPHXIKHSJOP-PGGZJEFSSA-N 448.603 6.275 30 10 IKEE CC(C)[C@](C)(CNC(=O)OC(C)(C)C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339604606 RPOBPOOISWYZNH-XXFRDUSWSA-N 446.397 5.044 30 10 IKEE Cc1cc(COc2ccc(OCc3ccccc3)cc2)ccc1B1OC(C)(C)C(C)(C)O1 2343655743 HVNRAZHTLDZBSK-UHFFFAOYSA-N 430.353 5.452 30 10 IKEE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)C)cc2)S/C1=N\c1cccc(C(C)=O)c1 996868 PPRTURXVOAQUBA-MCMRFMRISA-N 449.576 5.159 30 10 IKEE COc1ccc(/N=C/c2cc(Cc3ccccc3)cc(Br)c2O)cc1OC 1501449 VGRJLELFCNHQMK-ZVHZXABRSA-N 426.310 5.513 30 10 IKEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(Cl)c2)c1 3025183 MUOZUFXPAXASME-UHFFFAOYSA-N 444.915 5.113 30 10 IKEE C/C(=C\CC1=CC(=O)c2ccccc2C1=O)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C 4654840 UDYIPZFWVJJQJF-PZSKEPTJSA-N 436.680 8.768 30 10 IKEE endogenous,in-man COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2)cc1OC 21223202 SLKJTZONLDJCJH-WINIVTDRSA-N 426.516 5.683 30 10 IKEE O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@H](c1ccc([N+](=O)[O-])cc1)Nc1ccccc1N2 21247278 FUFVWDFAHKZAEW-GKVSMKOHSA-N 429.451 5.713 30 10 IKEE CCOc1cc([C@H]2C3=C(C[C@H](c4ccc(OC)cc4)CC3=O)Nc3onc(C)c32)ccc1O 28052481 KZEZWLRCMNIYKK-BXKMTCNYSA-N 446.503 5.054 30 10 IKEE Cc1cccc(N2C(=O)/C(=C3\Sc4ccccc4N3C)S/C2=N\Cc2ccccc2)c1 33453590 MICJGFDZXCOTBN-ATEBTNOTSA-N 443.597 6.042 30 10 IKEE Cc1cc(C)c(-c2nn(-c3ccccc3)cc2/C=C2\Oc3cc(C)c(C)cc3C2=O)c(C)c1 39842691 NJTVOLOXUHWLHE-YSMPRRRNSA-N 434.539 6.698 30 10 IKEE O=C1N/C(=N\N=C\c2ccc(-c3ccccc3Cl)o2)S[C@@H]1Cc1ccc(Cl)cc1 39888061 ZTRJVFGOHSVUGG-QVHMZZSFSA-N 444.343 5.418 30 10 IKEE O=C1/C(=N/Nc2ccc([N+](=O)[O-])cc2)c2ccccc2N1Cc1c(Cl)cccc1Cl 59165498 YPTWXCYZMSDZPI-LKUDQCMESA-N 441.274 5.265 30 10 IKEE C=C1CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@@H]1CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)[C@H](O)CC[C@]21C 95889780 GESZMTVZGWZBPW-MSRLEHRISA-N 442.728 7.306 30 10 IKEE C=CCN(CC=C)C(=O)c1sc2nc(C)cc(C)c2c1NC(=O)/C=C\c1ccccc1 96602952 IVDILTODMYQTPC-SEYXRHQNSA-N 431.561 5.379 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2ccc(N(CC)CC)cc2)cc1 100153908 YXNSEXCMHQCTLM-UHFFFAOYSA-N 441.641 6.009 30 10 IKEE CCCC[C@H]1S/C(=N/N=C/c2ccccc2OC)N(Cc2cccc3ccccc23)C1=O 102659334 NMMJOEFPUHGEBF-BRMRTEOQSA-N 445.588 5.873 30 10 IKEE CCn1c2ccccc2c2cc(/N=C3\C=C(c4ccccc4)[C@](O)(c4ccccc4)C3)ccc21 102942894 MOUHOLTUVPPVLV-IXYNKCINSA-N 442.562 7.262 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c(C)c2cc(C(C)C)ccc21 169870211 XHAPWTPFXNISEM-UHFFFAOYSA-N 430.596 5.263 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2cccc(C)c2C)cc1 169924966 HEWBQEGAYRCZMX-VWLOTQADSA-N 441.527 5.712 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@@H]2c2ccccc2)ccc1F 170049335 UPWQVLCFHRHTJZ-XMMPIXPASA-N 443.518 6.215 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 170066596 XUPPLRCSUJJYIH-IRLDBZIGSA-N 439.939 5.221 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccccc1F)c1cc2ccccc2o1 170070855 OMBUNABFBLSHHI-JOCHJYFZSA-N 447.849 6.008 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@@H]2c2ccccc2C)cc1 170087577 OUMULEWCYONOPA-RUZDIDTESA-N 441.527 5.345 30 10 IKEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccco1)c1cc2ccccc2o1 170098128 LDEOCDWUPXQJJB-FQEVSTJZSA-N 442.452 5.418 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccs2)cc1C(C)(C)C 170166473 HVOIKIZICNHYRU-OAQYLSRUSA-N 439.577 5.575 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccn2)cc1C 170169237 UPMOLGANZWAVOT-QHCPKHFHSA-N 446.478 5.101 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)cc(Cl)c2OC)[C@@H]1c1cccnc1 170195927 JBGLNMFHRIFVHK-SFHVURJKSA-N 449.334 5.166 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@@H]2c2ccncc2)cc1C 170201291 NZEBUTSPIKHBLU-XMMPIXPASA-N 442.515 5.134 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccncc1 170204907 PGMQTYVCOVYNGY-DEOSSOPVSA-N 436.467 5.026 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@H]1c1ccc(OCC)cc1 170213857 GZAITANZXRYUEI-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@H]2c2ccccc2)c1 170224132 JVKUUFUTIOCBFI-RUZDIDTESA-N 441.527 5.874 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3c(OC)cccc3OC)[C@H]2c2ccccc2)cc1 170224402 KXVHZUJMWYLUNL-XMMPIXPASA-N 443.499 5.049 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@H]1c1ccccc1F 170253073 IAKWQVWFMNIQJG-HXUWFJFHSA-N 431.891 5.256 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@H]1c1cn(C)c2ccccc12 170269180 XCEPCSNAKGPHMA-HSZRJFAPSA-N 446.547 5.182 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1ccco1)c1cccc2ccccc12 170290836 LCANXRMQMHMNPI-QFIPXVFZSA-N 431.394 5.494 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1sccc1C 170315375 JLNDVBMMWMLYBS-NRFANRHFSA-N 428.513 5.629 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(C(C)C)cc1 170422234 JJKMTRVJUPJYJY-QHCPKHFHSA-N 431.488 5.190 30 10 IKEE Cc1cccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cccc(OC(F)(F)F)c2)c1 170458409 SYKVRFIDFNGOQR-SFHVURJKSA-N 433.426 5.409 30 10 IKEE Cc1cccc([C@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2nc3ccc(C(C)C)cc3s2)c1 170462459 OZBPUVJDPCJRAX-NRFANRHFSA-N 434.561 5.853 30 10 IKEE Cc1cc(C)c2onc(CC(=O)Nc3oc(-c4ccccc4)c(-c4ccccc4)c3C#N)c2c1 170494102 FAPSCMMPPMLHID-UHFFFAOYSA-N 447.494 6.425 30 10 IKEE Cc1ccc(-c2ccc(Nc3c(C#N)cnn3-c3cc(C)c4cc(C)cc(C)c4n3)nn2)cc1 170547204 PBBIXRHNUJBRBX-UHFFFAOYSA-N 445.530 5.726 30 10 IKEE CCOc1ccc2c(c1)S/C(=C\NN=Cc1ccc(OCc3ccccc3)cc1)N2C 254352008 OAKMWEHGFGSNHW-FLBHTVNCSA-N 431.561 5.629 30 10 IKEE COc1ccc(-c2oc(N=CN3CCCCCC3)c(C#N)c2-c2ccc(OC)cc2)cc1 254403378 GVCCWRKLYXYUHA-UHFFFAOYSA-N 429.520 6.038 30 10 IKEE COc1ccc(C2=C(C=Nc3ccccc3)[C@@H](c3ccccc3)c3ccccc3O2)cc1OC 254439907 XWCCEOZZKMECFI-LJAQVGFWSA-N 447.534 7.042 30 10 IKEE Cc1cc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccc(C(=O)O)cc3)C2=O)c(C)n1C 254712827 FWRFGOIJOMUYSH-OTGOLFGCSA-N 445.544 5.144 30 10 IKEE CCCCN1C(=O)/C(=C2/Sc3ccccc3N2CC)SC1=Nc1cc(C)ccc1C 254751787 OEGIXPLFORDYJK-SEYIQKDNSA-N 437.634 6.468 30 10 IKEE Cc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccc(C(F)(F)F)c2)cc1 526490181 FDERASZIRQCMPH-JOCHJYFZSA-N 434.417 5.943 30 10 IKEE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2sccc2C)c1 526521187 LCUFLHYKJBDTLE-OAQYLSRUSA-N 432.501 5.003 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(OC)cc2)c1 526603260 BQYMVZSMNSAYGC-RUZDIDTESA-N 440.499 5.413 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(F)c2)cc1 526708717 BKIQUKVKPFLZSE-XMMPIXPASA-N 445.490 5.788 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1/N=C\c1ccc(OCC)c(OCC)c1 526798908 AFIVYJOWDMDZHJ-UQQQWYQISA-N 438.597 5.593 30 10 IKEE Cc1ccc(CSc2nncn2/N=C\c2ccccc2COc2ccccc2)c(C)c1 526810712 IVZHTWUBQDYKBW-DICXZTSXSA-N 428.561 5.648 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1ccc(OC)cc1 526814214 BYXVFURCVNCMLI-FMCGGJTJSA-N 435.380 5.721 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccc(N(CC)CC)cc1 526817481 NVQVPWHIABMWPL-QFEZKATASA-N 445.995 5.654 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(NC(=O)N[C@H](C)c3ccccc3)CC2)c1 586099684 UXHZQECSYQMYHK-HXUWFJFHSA-N 448.611 5.189 30 10 IKEE CN(C(=O)Nc1cccc(C(=O)Nc2scc(C(C)(C)C)c2C#N)c1)c1ccccc1 586683969 PUFBVLGNXLJUEU-UHFFFAOYSA-N 432.549 5.838 30 10 IKEE CN(C(=O)Nc1cccc(C(=O)Nc2scc(C(C)(C)C)c2C#N)c1)C1CCCCC1 586684194 JEPQLXDJQBNRJR-UHFFFAOYSA-N 438.597 5.966 30 10 IKEE Cc1sc([C@@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)cc1Br 698828766 NQONFLDFSHGKRM-CQSZACIVSA-N 427.389 5.883 30 10 IKEE Cc1ccc(C(CSc2nc3ccccc3o2)=NNc2cccc([N+](=O)[O-])c2)c(C)c1 1084476539 GLPVSAVKQSWFNU-UHFFFAOYSA-N 432.505 5.961 30 10 IKEE O=C(O)c1cccc(N=C2S/C(=C/C=C/c3ccccc3)C(=O)N2C2CCCCC2)c1 1772733756 CPNSZVKDOPKTTP-JOEYLZBXSA-N 432.545 5.878 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=Nc1ccc(C)cc1O 1772762774 WYDHOFRWWJPAHJ-FNLGWUMESA-N 429.339 5.253 30 10 IKEE O=Cc1nc(-c2c(F)c(F)c(F)c(F)c2F)ccc1-c1c(F)c(F)c(F)c(F)c1F 1848358484 HWPQITGUCXWCAK-UHFFFAOYSA-N 439.208 5.619 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O 1859455830 IUUYKPKRHQDZGB-UHFFFAOYSA-N 434.580 5.975 30 10 IKEE CCCCCCCCCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(C)cc1=O 1859577459 ARBAUPNTCWRLNY-UHFFFAOYSA-N 438.399 5.718 30 10 IKEE CC1CCN(c2ccc(NC(=O)C(=O)/C=C/c3ccc(Br)cc3F)cc2)CC1 1860731371 MSXGVVZKVRBUQQ-YCRREMRBSA-N 445.332 5.046 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(C(C)C)cc1 1861552852 ONTARBABUUTLQX-KLIIMXHUSA-N 448.651 6.027 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@H]2c2cccc(C)c2)cc1 1862390243 YRTCGRGCDMWFOM-VWLOTQADSA-N 448.607 5.258 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccc(C)cc2)cc1C 1862401276 XPHOAUMAGZTABU-DEOSSOPVSA-N 445.490 5.230 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1C 1862405938 ISCAKVCHPXFUQO-IBGZPJMESA-N 432.303 5.051 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@@H]2c2ccccc2C)cc1 1862411250 CLPGBNFRPKSERE-DEOSSOPVSA-N 447.481 5.403 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(O)cc1 1862411351 FOTHLJIPLSBSRG-RCDICMHDSA-N 435.426 5.010 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(F)cc2F)=C(O)C(=O)N1[C@H]1CCCC[C@H]1C 1862412164 YANSEVCBJNQTLQ-UPKQVVFYSA-N 425.475 5.430 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(C)cc1 1862413200 XUBFOKFAKLHRDX-AUSIDOKSSA-N 441.518 6.210 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)cc1 1862414136 SINMSUBNGBFOHI-VSUDMRMVSA-N 439.502 5.684 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2cccs2)cc1 1862414398 ZFGUSICIQCWZIR-NRFANRHFSA-N 439.483 5.367 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccccc1F 1862430329 IFTWVYZBPMVQKF-KSFYIVLOSA-N 443.946 6.416 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@H]1c1cccc(F)c1)c1ccccc1Cl 1862432234 ZPRXTMIYCYLATN-FQEVSTJZSA-N 441.911 5.362 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CCCC2)cc1 1862434107 RKIPBQZNZMEPIV-OAQYLSRUSA-N 425.912 5.260 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(Br)cc1 1862452715 JDMGZHYWNAXYPV-SFHVURJKSA-N 448.744 5.481 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc(C(C)C)cc2)ccc1F 1862503563 AAZQKTNHXZXTCT-HGMMTPDKSA-N 449.566 6.415 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccc(O)cc2)ccc1F 1862507176 FWQLOAIRNBKGTL-HSZRJFAPSA-N 437.511 5.531 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2cccc(C)c2)cc1 1862555508 WXVKDGHVXVXZTM-CJAUYULYSA-N 440.543 5.479 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2ccccc2F)cc1 1862555555 FWTZTSPLBZRRSF-GYCJOSAFSA-N 444.506 5.310 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(C(C)C)cc1 1862560096 DSJABNISFOPOBK-RUZDIDTESA-N 448.607 6.331 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1cccc2ccccc12 1862561412 PQFDMYXCZVOPKB-HGMMTPDKSA-N 440.543 5.579 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862593154 POFFFEFBJGCPAI-QHCPKHFHSA-N 435.564 5.848 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc(F)c1 1862672316 AGNIYDJBAYRXLF-IFMALSPDSA-N 427.491 5.902 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C2CCCCCCC2)c1 1862674114 SPZHSGNZTYAGPO-HSZRJFAPSA-N 437.511 5.526 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862679902 PSYWDPNDUQYJGJ-OPAMFIHVSA-N 425.500 5.381 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1c(Cl)cccc1Cl)c1ccc(F)cc1 1862683279 OOMWTEMBRLCOJL-IBGZPJMESA-N 434.294 5.653 30 10 IKEE Cc1ccc(C2=C(Nc3cccc4ccccc34)C(=O)N(c3cccc(C#N)c3)C2=O)cc1C 1862879667 ZTJXBEPOWRZXBI-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE N#Cc1cccc(NC2=C(c3cccs3)C(=O)N(c3cc(Cl)ccc3Cl)C2=O)c1 1863114756 DNYRNNAMCZDHNK-UHFFFAOYSA-N 440.311 5.323 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(C)ccc2C)=C(c2ccccc2[N+](=O)[O-])C1=O 1863234374 WXOMSVUBHPDYNL-UHFFFAOYSA-N 449.551 5.764 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2F)C(=O)N(Cc2ccccc2Cl)C1=O 1863639631 ZRFRVGGGFAAEDN-UHFFFAOYSA-N 442.962 5.709 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@@H](C)CC)=C(c2cc(OC)ccc2OC)C1=O 1863717642 UZPCJXIOJAKNCG-IBGZPJMESA-N 444.616 5.313 30 10 IKEE CCCCCCCCNC1=C(c2ccc(F)c(C)c2)C(=O)N(CCc2ccccc2)C1=O 1863782838 BSRVDJVODJMOFG-UHFFFAOYSA-N 436.571 5.407 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N1CCNC(=O)[C@H]1c1ccccc1 1866342682 UUXRVJWNNDTQGI-HHHXNRCGSA-N 442.688 6.948 30 10 IKEE CCCCCCCCNC(=O)c1cn(-c2ccc(OCc3ccccc3)cc2)c(=O)cc1O 1870128489 YDAGEJLVJWMKER-UHFFFAOYSA-N 448.563 5.212 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2)c(=O)cc1CSc1nccn1C 1870271340 FWBFPDSXQWFDOG-UHFFFAOYSA-N 439.625 5.814 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(O)cc2)c(CN2CCC[C@@H](C)C2)cc1=O 1870416700 LCMQZKDSDDJZGS-OAQYLSRUSA-N 426.601 5.183 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2C)c(=O)cc1CN1CCCCCC1 1870627689 BJUBEDCXDFTYGF-UHFFFAOYSA-N 438.656 6.472 30 10 IKEE C=CCn1cc(OCCCOc2ccc(CC)cc2)c(=O)cc1CNc1cc(C)cc(C)c1 1870881248 WYVWXPLKERPXOW-UHFFFAOYSA-N 446.591 5.674 30 10 IKEE Cc1c(OC(=O)/C=C/c2ccco2)ccc2c1O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 1871369244 BIZYJOHISDKGRK-CDVYDLBASA-N 441.266 6.130 30 10 IKEE Cc1cc(OC(=O)COc2ccc(Cl)cc2)cc2c1C(=O)/C(=C/c1cccc(F)c1)O2 1871381526 ZAZCLKHWGNTQTO-NHDPSOOVSA-N 438.838 5.388 30 10 IKEE CCCOc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2OC)C3=O)cc1 1871387754 NGTXXJGCIQQDLC-IWIPYMOSSA-N 444.483 5.628 30 10 IKEE COc1ccccc1/C=C1\Oc2c(ccc(OC(=O)c3ccc(OC(C)C)cc3)c2C)C1=O 1871388319 OYBLXCMBCMVWOF-IWIPYMOSSA-N 444.483 5.626 30 10 IKEE Cc1ccc(OCCCOc2ccc3c(c2C)O/C(=C\c2ccc(N(C)C)cc2)C3=O)cc1 1871405901 LOPUKNWGUHCKKF-ITYLOYPMSA-N 443.543 5.834 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OCCOc3cccc4ccccc34)c2C)C1=O 1871415848 WXQNVMDPUGVTEK-IMRQLAEWSA-N 436.507 6.531 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc(OCc3cccc(C(=O)OC)c3)c2C)C1=O 1871416236 SLZUMCXZNMFHTM-IWIPYMOSSA-N 444.483 5.376 30 10 IKEE N#Cc1ccc(COc2ccc3c(c2)O/C(=C\c2cccc(Br)c2)C3=O)cc1 1871417351 JTLPPYRSLTTXKW-JJFYIABZSA-N 432.273 5.516 30 10 IKEE CC[C@H](Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O)C(=O)Nc1cc(Cl)ccc1C 1871425451 FTNPNKSCXKLFRJ-YOYPMJMESA-N 437.879 5.654 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(OCCC)cc2)[nH]c(N2CCCC2)n1 1871725682 OLTPBXSTHNRHKT-UHFFFAOYSA-N 426.609 5.199 30 10 IKEE C=C(C)CN([C@H](CC)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872560038 UFMPPTNMYPPXKH-HSZRJFAPSA-N 442.625 5.213 30 10 IKEE N#C[C@@H](C(=O)CNC(=O)c1ccc(Cl)cc1)c1nc(-c2ccc3ccccc3c2)cs1 1872759929 CXHTZMNDENUNKK-FQEVSTJZSA-N 445.931 5.223 30 10 IKEE CC(C)c1ccccc1O[C@@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc(F)cc2F)cs1 1872766416 GJSWXCBDRKYAJN-KBXCAEBGSA-N 426.488 5.855 30 10 IKEE COc1ccc(OC)c(-c2csc([C@@H](C#N)C(=O)CCCOc3ccccc3C)n2)c1 1872771697 ZXWLXHAZBDNAAF-IBGZPJMESA-N 436.533 5.171 30 10 IKEE N#C[C@@H](C(=O)c1ccc(Cl)cc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872779629 NNFOMQLAHXWIIN-NRFANRHFSA-N 430.916 6.746 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(F)cc3)n2)c(OCC)c1 1872784802 XXPZCGKBYDZKSV-ACGJQVIASA-N 436.508 5.636 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)CCc2ccc(Cl)cc2)n1 1872786241 FTTSUOKWEZYUTQ-SFHVURJKSA-N 445.371 6.243 30 10 IKEE CCCCC1CCC(C(=O)[C@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)CC1 1872787710 PWKGNFGKJBIIPD-JMLCCBQJSA-N 435.420 7.290 30 10 IKEE N#Cc1ccc(OCc2cccc(C(=O)Nc3cccc(OCc4ccccc4)c3)c2)cc1 1872847789 XSEMUZSABJSSCD-UHFFFAOYSA-N 434.495 5.969 30 10 IKEE CCCCCCCCNC1=C(c2ccc(F)cc2)C(=O)N(CCC2=CCCCC2)C1=O 1873137695 KNYWIRRJCKLWIU-UHFFFAOYSA-N 426.576 5.746 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Cl)c(C(F)(F)F)c2)=C(c2cc(F)cc(F)c2)C1=O 1873315949 QGRHVYVJYJCFCM-UHFFFAOYSA-N 442.771 5.015 30 10 IKEE NC1=C(c2nc(-c3ccccc3)c(-c3ccccc3)s2)C(=O)CN1Cc1ccc(F)cc1 1873527974 AIYZOSXQVLRBPV-UHFFFAOYSA-N 441.531 5.328 30 10 IKEE CCCCCCCCNC(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)C12CCCCC2 1873886467 WNZOINIARYOSJT-QHCPKHFHSA-N 428.617 5.052 30 10 IKEE CCCCCCCCNC(=O)c1cnn(-c2ccc(OC(F)(F)F)cc2)c1-n1cccc1 1873886535 ZSURZVJXBPGMJH-UHFFFAOYSA-N 448.489 5.652 30 10 IKEE CSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1ccc(C(C)(C)C)cc1 1874225143 WCDSKMDDFFCNGX-YZSQISJMSA-N 436.625 5.808 30 10 IKEE CCSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1ccc(F)cc1F 1874225622 UMFJGXYZAWYNPE-AFUMVMLFSA-N 430.524 5.179 30 10 IKEE CCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1cc(Cl)ccc1O 1874231821 CVSZONOTZUCRKV-MFKUBSTISA-N 436.968 5.570 30 10 IKEE C=CCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc(O)c(OC)c1 1874233879 GUGYQPATJNFRAC-YZSQISJMSA-N 444.560 5.091 30 10 IKEE CCCSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1cc(Cl)ccc1O 1874321400 PRJKPPBNDXLTCM-FSJBWODESA-N 430.961 5.217 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccc(C)cc3C)n2/N=C/c2ccncc2)c1 1874325959 QNIPBXIXMZDTKR-JFLMPSFJSA-N 443.576 5.352 30 10 IKEE CSc1nnc(CCOc2ccccc2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874343665 BRYZVOWUJUKQEV-NLRVBDNBSA-N 444.560 5.083 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2/N=C/c2cccc(C)c2)cc1 1874348985 NSJPALBTIACMCF-JVWAILMASA-N 446.551 5.500 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2F)n1/N=C/c1cccc(O)c1 1874362482 HPMPZIRAYANBJR-JVWAILMASA-N 446.551 5.391 30 10 IKEE COc1cccc(/C=N/n2c(CCc3cccs3)nnc2SCc2ccccc2)c1 1874371671 LHCLUGAJOUKOBM-LFVJCYFKSA-N 434.590 5.308 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2ccccc2)n1/N=C/c1ccccc1Cl 1874398394 DOONQQYTJJIGIS-WPWMEQJKSA-N 447.007 6.200 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(Cc3cccs3)nnc2SCCc2ccccc2)c1 1874413380 QPHFUFOUEFZURL-LFVJCYFKSA-N 434.590 5.161 30 10 IKEE CCSc1nnc(-c2ccccc2)n1/N=C/c1ccc(OCc2ccccc2C)cc1 1874427767 ZWBFZHWDNGIRPA-YZSQISJMSA-N 428.561 5.827 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874440433 ANAMTMAXHLHKNH-YDZHTSKRSA-N 443.960 5.603 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CCCC2)c1 1874457265 IYIXIIHBMYGTMJ-DHRITJCHSA-N 445.419 6.725 30 10 IKEE Oc1cccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CCCC2)c1 1874457269 JBYFDTYHEHSKSM-WYMPLXKRSA-N 447.391 6.123 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccccc2CC)n1/N=C/c1ccccc1Cl 1874504382 PIFUBBFQTXMKHO-ZVHZXABRSA-N 441.988 5.059 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc(N(C)C)cc1 1874527837 HHRQRASOPOABMV-FSJBWODESA-N 434.396 5.388 30 10 IKEE FC(F)(F)c1nnc(S)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 1874559708 JCMUXYIGWGVOHI-LIMNOBDPSA-N 447.269 5.354 30 10 IKEE CCCOC(=O)COc1c(/C=C/C(=O)c2ccc3ccccc3c2)cc(Cl)cc1OC 1874571572 UYYNCEGWTVTXNW-ZHACJKMWSA-N 438.907 5.730 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCc2ccccc2Cl)cc1 1874573084 UVWVNJFBEZXKDZ-OUKQBFOZSA-N 441.354 7.040 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCc2cc(C)ccc2C)cc1 1874576169 ZVCUDTARCHUKNW-FMIVXFBMSA-N 436.935 6.449 30 10 IKEE COc1c(Br)cc(Br)cc1/C=C/C(=O)c1cccc(Cl)c1 1874577307 IAGROGSHOFOBCI-AATRIKPKSA-N 430.523 5.770 30 10 IKEE Cc1ccc(C(=O)/C=C/c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)cc1 1874579414 MDZROOMKQNHYRX-BUHFOSPRSA-N 447.361 7.930 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCC(=O)OCC(C)C)ccc3ccccc23)cc1F 1874582380 LIDBDXOARPZIFR-ZHACJKMWSA-N 436.479 5.462 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1C 1874593654 VJESWGCFQRHESA-JXMROGBWSA-N 427.327 6.786 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1OCc1cccc(Cl)c1 1874595862 AJAARYKKRJONHD-WEVVVXLNSA-N 447.745 7.131 30 10 IKEE CCOc1c(OC)ccc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)c1Br 1874600302 FGSQDEHKCHEXIN-SOFGYWHQSA-N 439.733 5.723 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1cccc(OCC(=O)Nc2ccccc2C)c1 1874600600 UQAQCGQLRHAITL-VAWYXSNFSA-N 449.934 5.879 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(Cl)c2)cc1 1874604510 QNOMLICGYSLYNJ-MDWZMJQESA-N 447.962 6.433 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1 1874616529 GDZLZDQQSODDJC-CAOOACKPSA-N 429.516 5.697 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OCc3nc(O)c4ccccc4n3)c(Cl)c2)ccc1F 1874618585 IXZOHBDVBLUWAB-UXBLZVDNSA-N 448.881 5.911 30 10 IKEE CCOc1c(Br)cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc1OC 1874626092 MAJPWVOFNOSIJD-CSKARUKUSA-N 447.369 6.059 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1OCc1ccc(C)cc1 1874629125 NHBIXVLSRYPIPR-VAWYXSNFSA-N 448.990 7.366 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc(Cl)c1OCCCO 1874634942 AUXQJEWYEHHUEH-PKNBQFBNSA-N 430.972 6.002 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2ccc(OCCc3ccccc3)cc2)cc1Cl 1874637330 UPNBQSFEYDENTD-FMIVXFBMSA-N 427.327 6.520 30 10 IKEE O=C(Cc1ccc(F)cc1F)Oc1cccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c1 1874693367 BMBBGTSPIWXDOB-MDWZMJQESA-N 432.466 5.888 30 10 IKEE CCc1ccccc1OCC(=O)Oc1cccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)c1 1874711368 XWJCLPPLYHEOSX-CCEZHUSRSA-N 442.555 6.363 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1 1875080278 IFBQFMNQBPOKAL-VXLYETTFSA-N 436.482 6.537 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)CC(C)(C)C)c(Br)c2)c1 1875102111 MBTPLSHLWJVAAX-CSKARUKUSA-N 431.326 5.695 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3ccc(/C=C/C(=O)c4ccc(F)cc4F)cc3)c(C)c2c1 1875120408 SGTRXDYGJXMEKE-WUXMJOGZSA-N 431.438 6.178 30 10 IKEE CC(C)c1ccccc1OCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1 1875127512 JJDLEHXIINRMSZ-KNTRCKAVSA-N 428.528 6.471 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)COCc1ccccc1 1875129011 GSKMMOVCTMPMRG-FOCLMDBBSA-N 442.511 5.442 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC(=O)C1CCCC1 1875151627 UZDSKZRIEYTBKH-PKNBQFBNSA-N 434.488 5.144 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)c1ccc(C)cc1 1875155873 DPONYSMNOFMKTN-VGOFMYFVSA-N 448.946 6.896 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1 1875157951 XDHRTJKLVLMMIC-YIXHJXPBSA-N 445.273 6.256 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1ccc(F)c(F)c1 1875161962 PJHOFLPFFJMJEE-XLUWADSXSA-N 443.789 5.642 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccco2)c(Cl)c1 1875181301 YILGMMZZYBFWGK-FNORWQNLSA-N 431.271 6.019 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)C3CCC3)c(OC)c2)cc1Cl 1875187538 UKDGJSGFAJLVNN-SOFGYWHQSA-N 435.303 5.612 30 10 IKEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1cccc(-n2ccc3ccccc32)c1 1891835596 ZXXTUMGWZVJZNR-UHFFFAOYSA-N 448.444 5.462 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@H](O)c1ccc(Cl)c(Br)c1F 1922087040 VSQYGKRATRWXAF-UXHICEINSA-N 442.756 5.026 30 10 IKEE CC1(C)CSC(=Nc2cc(Br)c(Br)c(Br)c2)N1 1946446024 TXJQQCXTZNMYQE-UHFFFAOYSA-N 443.002 5.077 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 1953170064 DWFMDIBDVZGCEP-XMMPIXPASA-N 429.561 5.107 30 10 IKEE C=C(COCc1ccccc1)[C@@H](O)c1ccc(NC(=O)OC(C)(C)C)c(C(F)(F)F)c1 2005305841 SHLYWYFQZACVGP-HXUWFJFHSA-N 437.458 5.859 30 10 IKEE C=CCCCCCC[C@H](NCC)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2026015768 WLXKEJWXAPATMD-YFNKSVMNSA-N 432.649 5.990 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)CC12CCCC2 2037756244 GFCVMAODLUSYNH-JOCHJYFZSA-N 448.568 5.140 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 2041560222 QCTQICGGWHTUMD-DFBJGRDBSA-N 449.636 5.876 30 10 IKEE C[C@@]1(Nc2cc(Br)cc(F)c2C#N)CCCN(C(=O)OCc2ccccc2)C1 2045299968 YIUHRCMCHGJQAV-OAQYLSRUSA-N 446.320 5.063 30 10 IKEE C=CCN(CC[C@@H](Cc1ccc(Cl)c(Br)c1)NC)C(=O)OC(C)(C)C 2047970547 LCBVQRAZCWGVHX-HNNXBMFYSA-N 431.802 5.046 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)CC12CCC2 2063292255 NNGODUOLGJOZLN-RUZDIDTESA-N 447.620 5.772 30 10 IKEE CC(C)(C)c1nn([C@H](c2ccc(C(F)(F)F)cc2)C2CC2)c(Br)c1C=NO 2079907329 GHXLWUDPJVAOJB-HNNXBMFYSA-N 444.295 5.769 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@H](C(C)C)N(Cc2ccccc2)C1 2090226030 FMKASGHDSIOHFG-YIXXDRMTSA-N 449.595 5.630 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(Cc3ccccc3)CC23CCC3)c1 2098711877 KTTSFOFVDYXCAG-NDEPHWFRSA-N 445.607 6.075 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](N)Cc2cc(Cl)c(C)c(Br)c2)C1 2126684701 JXUGQXWKSHGIHC-KRWDZBQOSA-N 443.813 5.142 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)C(=O)C=Cc1ccccc1 2237420090 NSDKBZFMZNDEOE-IBGZPJMESA-N 430.342 5.167 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CSCc1ccc(Br)cc1C#N 2260259408 OGWYFWDLTNYFDN-CXAGYDPISA-N 425.392 5.199 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)c1cccc(OCc2ccccc2)c1 2261827586 PXIKVJHYJLCQKM-HHHXNRCGSA-N 432.516 5.571 30 10 IKEE C=CCCC1([C@@H](NC)c2cccc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2266301748 LYBFCFLANLIORM-KRWDZBQOSA-N 427.358 5.052 30 10 IKEE C=CCCC1([C@@H](N)c2ccc(Br)c(Cl)c2F)CN(C(=O)OC(C)(C)C)C1 2266307484 IQJMWGLKEMNGBL-INIZCTEOSA-N 447.776 5.445 30 10 IKEE CCCN[C@@H](C#CC1CCCC1)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2289693823 QEFOCYITGBSNFL-IBGZPJMESA-N 435.406 6.030 30 10 IKEE CC=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C#Cc1cccc(Br)c1)NCCC 2296265733 AHTHXHVXMMMJIP-WOJBJXKFSA-N 435.406 5.028 30 10 IKEE CC=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C#Cc1ccc(Br)cc1)NCCC 2296300640 KVJNUYJHFFIKJP-UXHICEINSA-N 435.406 5.028 30 10 IKEE O=C(Oc1ccccc1C=C1Sc2ccccc2C1=O)c1ccc(-c2ccccc2)cc1 2296463688 XQKHDZPJIHPNDM-UHFFFAOYSA-N 434.516 6.902 30 10 IKEE CCn1cc(C=C2Oc3cc(OC(=O)c4ccc(OC)cc4)ccc3C2=O)c2ccccc21 2296871859 JQHZPJIMRMCLBJ-UHFFFAOYSA-N 439.467 5.505 30 10 IKEE CCN=c1ccc(Br)cc(C(=O)C=Cc2cccc(Cl)c2Cl)c1O 2297464304 VIYIJBDAHBFZCU-UHFFFAOYSA-N 427.125 5.278 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)CCSc2n[nH]c(NN=CC=Cc3ccccc3)n2)cc1 2313921952 CJZNKPPDMIVHKI-SFHVURJKSA-N 448.596 5.550 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccccc2C)cc1 2318573951 BKUNEVJLVDJZTR-UHFFFAOYSA-N 426.589 5.855 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2319203505 KBPFZOFTAZZCRE-ZCNNSNEGSA-N 447.551 5.543 30 10 IKEE Cc1cc(OCc2ccc(Cl)c(Cl)c2)cc2c1C(=O)C(=CC=Cc1ccccc1)O2 2321792367 GXMWOYMMBPWBFN-UHFFFAOYSA-N 437.322 7.053 30 10 IKEE O=C1C(=Cc2ccccc2)Oc2c1ccc1c2CN(Cc2cccc(C(F)(F)F)c2)CO1 2321908646 WERXXCDMARBDSE-UHFFFAOYSA-N 437.417 5.674 30 10 IKEE CCCCCCCCCCN1COc2ccc3c(c2C1)OC(=Cc1sccc1C)C3=O 2322131462 BKFNRHQUTWSIRX-UHFFFAOYSA-N 439.621 6.965 30 10 IKEE C[C@H]1CCCC[C@@H]1N1COc2ccc3c(c2C1)OC(=Cc1ccc(Cl)c(Cl)c1)C3=O 2322145981 HXKQTUOSBTUCJS-XOBRGWDASA-N 444.358 6.340 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(C(C)C)cc1)C3=O)CN(Cc1cccs1)CO2 2322308487 ZCNOCOJPMWNZDL-UHFFFAOYSA-N 431.557 6.148 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)c(C)c1 2322572936 UHIGCXNNRXRWCN-UHFFFAOYSA-N 445.773 7.739 30 10 IKEE Cc1cc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2ccc(F)cc2)ccc1F 2322634797 LJZGWYDIFOXUCC-UHFFFAOYSA-N 441.861 5.840 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCc2cccc(C)c2)cc1F 2322708530 HIKNTCHFECCMDH-UHFFFAOYSA-N 440.898 6.280 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC)c(OCCCO)c2Br)cc1 2323076270 XZJMEUGQJXSROD-UHFFFAOYSA-N 447.369 5.458 30 10 IKEE Cc1cc(OC(=O)c2cccc(F)c2)cc2c1C(=O)C(=Cc1cn(C)c3ccccc13)O2 2323290914 QXQVXWCZCONQCO-UHFFFAOYSA-N 427.431 5.461 30 10 IKEE O=C(C=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1cccc([N+](=O)[O-])c1 2323369801 PXMHRWOZYAWISV-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2F)C3=O)c1 2323839067 FRBCRVFINPBJJE-UHFFFAOYSA-N 432.447 5.758 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1Cl 2324077564 HLHVECFWZYHQRV-UHFFFAOYSA-N 434.963 7.121 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1C)OC(=Cc1ccc(C)o1)C2=O 2324349241 SHQNZHKUBYUZNT-SFHVURJKSA-N 445.515 5.789 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OCc1cc(C)ccc1C 2324381357 DTANHRXILVQMSZ-UHFFFAOYSA-N 430.544 6.413 30 10 IKEE CCc1ccc(OCCCOc2ccc3c(c2C)OC(=Cc2sccc2C)C3=O)cc1 2324665566 MHHVXKUIDNIQRD-UHFFFAOYSA-N 434.557 6.391 30 10 IKEE CC(=O)c1ccc(NC(=O)COc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1 2324982601 BJACTRJCFNFPJC-UHFFFAOYSA-N 439.467 5.079 30 10 IKEE CC(C)c1ccc(C=C2Oc3cc(OC(c4ccccc4)c4ccccc4)ccc3C2=O)cc1 2325215723 AWAYRLYWAAQOLL-UHFFFAOYSA-N 446.546 7.595 30 10 IKEE Cc1ccc(NC(=O)CCOc2cc(C)c3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2325226106 ISPVQIQZRBUFNU-UHFFFAOYSA-N 447.918 5.981 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1OC(=O)c1ccc(F)c(F)c1 2325701365 YOFYWCQRIMTJHM-UHFFFAOYSA-N 448.465 5.968 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2C)C3=O)c1 2325722163 XTGKEXHOMLGXSA-UHFFFAOYSA-N 427.500 5.554 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1cccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)c1 2325722224 DOJZRAQJILUXEC-UHFFFAOYSA-N 445.471 5.564 30 10 IKEE COc1ccccc1C(=O)C=Cc1cccc(OC(=O)c2ccc(Cl)c(Cl)c2)c1 2325723992 OLOYVTVSUQRYSR-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OC(=O)COc1ccc(C)c(C)c1 2325737606 BALZPDOXIDQTPN-UHFFFAOYSA-N 430.500 5.501 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1OC(=O)Cc1ccccc1 2325757046 HEIUYFOOEYAARV-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE Cc1nnc(SCc2cccc(Cl)c2)n1N=Cc1c(Cl)ccc(Cl)c1Cl 2326467834 OJSUDJFGULLACG-UHFFFAOYSA-N 446.190 6.375 30 10 IKEE CCCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1cccc(Cl)c1 2326618582 UODJTJHFBWKDEK-UHFFFAOYSA-N 434.996 6.254 30 10 IKEE CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccccc1OC(C)C 2326900865 CRTCNLHYASBJKV-UHFFFAOYSA-N 438.641 5.818 30 10 IKEE CC(C)(C)[C@](C)(CS)COc1cc(Br)cc(I)c1 2327165206 HWEOFRBRAASJNA-AWEZNQCLSA-N 443.188 5.415 30 10 IKEE CCCSc1nnc(CCc2ccc(OC)cc2)n1N=Cc1c(F)cccc1Cl 2328585252 QMPVDENRCXTJAQ-UHFFFAOYSA-N 432.952 5.249 30 10 IKEE C=CCOc1ccccc1C=Nn1c(COc2cccc(C)c2C)nnc1SCCC 2328858225 RFHIGQSQDWMVIJ-UHFFFAOYSA-N 436.581 5.423 30 10 IKEE Cc1ccc(C=Nn2c(Cc3ccccc3F)nnc2SCCc2ccccc2)cc1 2329750636 WHRJNYXZVKKETJ-UHFFFAOYSA-N 430.552 5.533 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)C=Cc1ccc(Cl)cc1 2330359682 HCVOTLJTQMINGN-QHCPKHFHSA-N 435.052 6.285 30 10 IKEE CN(C)c1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2F)cc1 2330492044 NJGULZAWHKXIMJ-UHFFFAOYSA-N 445.567 5.249 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)c(F)c3F)cc2)cc1OC 2330707548 UYHLQCQXSTZJQQ-UHFFFAOYSA-N 442.389 5.236 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)c(C)c3)c([N+](=O)[O-])c2)cc1 2330749975 SRQVKIQBDCVXCB-UHFFFAOYSA-N 429.472 5.889 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(OC)c(OC)c3)c(OC)c2)cc1 2330770011 SEQNCOVJOZXKBX-UHFFFAOYSA-N 446.499 5.390 30 10 IKEE Cc1ccc(CSc2nnc([C@H]3CCCO3)n2N=Cc2c(F)cccc2Cl)cc1 2330888696 KSUBNCMBTMCWIB-LJQANCHMSA-N 430.936 5.405 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2[C@H]2CCCO2)cc1 2330965655 MPWDDUKOVWTMNC-HXUWFJFHSA-N 442.972 5.356 30 10 IKEE Fc1cccc(CSc2nnc(-c3ccco3)n2N=Cc2cccc3ccccc23)c1 2331187656 MUISXNALDNEWFM-UHFFFAOYSA-N 428.492 6.005 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)c3ccccc3)c(Cl)c2)cc1 2331195663 UIGNHGNSNYOMLK-SFHVURJKSA-N 434.919 6.344 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(Br)cc3)cc2)c(C)c1 2331215902 PVDQPIACYQKMCA-UHFFFAOYSA-N 449.344 6.110 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@H]2CCCO2)c(Cl)c1)c1ccc(Cl)c(Cl)c1 2331242375 VCKQETOGCBPBNX-LJQANCHMSA-N 425.695 5.627 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc(Br)c1OC(=O)C(C)(C)C 2331286902 XCNYVQSETFABID-UHFFFAOYSA-N 445.353 6.004 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2cc(C)ccc2C)cc1OCC 2331324446 AZYWSAIRYVQHSA-UHFFFAOYSA-N 442.983 7.127 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c(Cl)c2)ccc1F 2331336101 NFWVQSOXGQNMBJ-UHFFFAOYSA-N 439.826 5.811 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC(=O)c1ccco1 2331412786 HRRZRDIGUNZZEI-UHFFFAOYSA-N 434.488 5.710 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2Cl)cc1 2331416225 XFQMMUFNHIMYEE-UHFFFAOYSA-N 446.974 7.315 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCO4)cc2Cl)c1 2331437891 RCBIFZQZOGBUOI-UHFFFAOYSA-N 436.847 5.193 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OC(=O)[C@H](C)c1ccccc1 2331488805 ZTGKPOKLTRQBOE-HXUWFJFHSA-N 436.507 6.454 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3Cl)c(Cl)c2)cc1 2331493495 PIIZAIWRXDLYLS-UHFFFAOYSA-N 439.338 7.232 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CC(C)(C)C)c(OC)c2)c(OCC)c1 2331741116 UBSLRKIKVYAXBL-UHFFFAOYSA-N 440.536 5.730 30 10 IKEE CCCCc1ccc(-n2nnc(C#N)c2NC(=O)C=Cc2ccc(C(C)(C)C)cc2)cc1 2332188906 PFKQSRBLDPBTOV-UHFFFAOYSA-N 427.552 5.431 30 10 IKEE CC#CCN(C[C@@H](NCC)c1ccc(Cl)c(Br)c1F)C(=O)OC(C)(C)C 2337910267 NUSJFUJNPPNERY-OAHLLOKOSA-N 447.776 5.153 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1c[nH]nc1C(C)(F)F 2360822614 XVLLOKMGROFTFO-CQSZACIVSA-N 441.276 5.290 30 10 IKEE CC1(C)OB(/C=C/c2ccc(N[C@H]3CCN(Cc4ccccc4)C4(CC4)C3)nc2)OC1(C)C 2365114616 ZFXLRLPPTYXTRQ-DTPJYZGHSA-N 445.416 5.335 30 10 IKEE Cc1ccc(C)c(NC(=S)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)c1 3041813 XFJYORQPNFBYJP-QYQHSDTDSA-N 448.979 5.194 30 10 IKEE C=C(C)COc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 9813759 PVPANSIRWCFKBK-UHFFFAOYSA-N 432.358 5.719 30 10 IKEE Cc1ccc(-c2csc(Nc3nc4ccccc4nc3N3CCCCCC3)c2C#N)cc1 12617061 VQXKLLXSIRMVMH-UHFFFAOYSA-N 439.588 6.662 30 10 IKEE CC(=O)N(c1nc(/C=C2\CCOc3ccc(F)cc3C2=O)cs1)c1cccc(C)c1C 13021802 PNTAYGHCAUIKAC-GZTJUZNOSA-N 436.508 5.632 30 10 IKEE CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cccc(C)c2)c1-c1ccc(C#N)cc1 25142565 VYDKYZKUKXJNJE-UHFFFAOYSA-N 437.543 6.377 30 10 IKEE N#CC1(c2ccc(NC(=S)NC(=O)c3ccc(-c4ccccc4)cc3)cc2)CCCC1 30829774 XDAATXDTSMPLEZ-UHFFFAOYSA-N 425.557 5.816 30 10 IKEE O=C1NC(=N/c2ccc(O)cc2)/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)S1 33567916 ZLFMYKBXVNQWJL-WQRHYEAKSA-N 430.407 6.199 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C\c1ccc(NC(=O)c2ccc(C)cc2)cc1 33587351 GCFVKOAPCXXDLM-GHXNOFRVSA-N 440.326 6.459 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc21 38708001 CMLMZNHTYZSONB-UHFFFAOYSA-N 433.430 5.287 30 10 IKEE O=C(/C=C/c1c[nH]nc1-c1cccc([N+](=O)[O-])c1)c1cccc(NC(=O)c2cccs2)c1 40464921 QOIWPQYWXZLPKG-MDZDMXLPSA-N 444.472 5.195 30 10 IKEE COc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)c1 41287673 PPCXAMMEKVWVCR-OYKKKHCWSA-N 442.511 6.137 30 10 IKEE COc1cc(/C=C2\Oc3cc(OCc4ccccc4)cc(C)c3C2=O)cc(OC)c1OC 41432831 YGBURDIZHVORDD-NHDPSOOVSA-N 432.472 5.216 30 10 IKEE Cc1cc(OCc2ccccc2F)cc2c1C(=O)/C(=C/c1ccc(-c3ccccc3)cc1)O2 41435385 RQOSPKKKTPNIOM-YUMHPJSZSA-N 436.482 6.996 30 10 IKEE O=C1/C(=C/c2ccc(-c3ccccc3)cc2)Oc2c1ccc1c2CN(Cc2ccncc2)CO1 41660944 SQWDNDKBSIXPTQ-YUMHPJSZSA-N 446.506 5.717 30 10 IKEE Cc1cccc(OCc2nc(C)c(C(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)s2)c1 43220790 BKVCVSUDKCXNAQ-AWEZNQCLSA-N 437.590 5.649 30 10 IKEE C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3cc(Cl)c(OC)c(OC)c3)c12 96925847 WUVIZMHXRPVSSK-KHPPLWFESA-N 435.911 5.350 30 10 IKEE CCCCCCCOc1ccc(NCCNc2cccc(OCCCCCCC)c2)cc1 100054380 RHYHHWGSRKVHSB-UHFFFAOYSA-N 440.672 7.909 30 10 IKEE CCCCCCCCCCCCCCCCNCC(=O)Nc1ccc(C(=O)NC)cc1 100056126 UXPUHCCALORZFR-UHFFFAOYSA-N 431.665 6.056 30 10 IKEE CCN1C(=O)C[C@H](C(=O)Nc2ccc(F)cc2)S/C1=N\c1cc(Cl)cc(Cl)c1 100195671 XMWUDPHMQWQKLO-PWEHGMCJSA-N 440.327 5.113 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2cccc(O[C@@H](C)CC)c2)cc1 100269668 TXPDXWKMYTUUBE-IBGZPJMESA-N 442.625 6.340 30 10 IKEE CCCCCCCCCCCCOC(=O)C[C@H]1C(=O)NCCN1C(=O)CCCCCC 100438724 RLPZLILSODDBHQ-QFIPXVFZSA-N 438.653 5.138 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(N2CCCC[C@H]2C)c1N 101514723 BVNWYGJTRODYKS-HSZRJFAPSA-N 431.713 7.331 30 10 IKEE CCCCCCCNCc1cc(Br)c(OCc2ccc(C)cc2)c(OCC)c1 102557048 IOTLOVBLVWRVPW-UHFFFAOYSA-N 448.445 6.795 30 10 IKEE CCOc1ccc(C(=O)CCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 108689358 UOXMFQQAMXHTIJ-UHFFFAOYSA-N 442.515 5.332 30 10 IKEE Cc1ccc(C)c(/C(O)=C2\C(=O)C(=O)N(c3nnc(C)s3)[C@@H]2c2ccc(C(C)C)cc2)c1 136172882 YDIACPQGRBINDQ-JBCNATCCSA-N 447.560 5.213 30 10 IKEE COc1cc(/C=N/Nc2ccc(Cl)cc2)cc([N+](=O)[O-])c1OCc1cccc(C)c1 169878805 LTUVMOGWQQUKOD-ZMOGYAJESA-N 425.872 5.590 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@@H](c2ccccc2OCc2ccccc2C)NC(=S)N1 169937826 QRAMROGIFWWTKW-XMMPIXPASA-N 428.557 5.250 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1c1cccc(C)c1 169941712 NXBLKDXRSHEESS-DEOSSOPVSA-N 439.467 5.533 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2nc3ccccc3[nH]2)c1 169973047 PALRFUFELPSXIZ-QHCPKHFHSA-N 448.482 5.136 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2cccs2)c1 169989068 SYQGGJFZHJBRCG-HXUWFJFHSA-N 439.920 5.189 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccccn2)s1 169992046 BWWBDAXELXIESB-FQEVSTJZSA-N 433.533 5.061 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2ccccc2)cc1 170028621 IFYNUHDAZFJFSY-DEOSSOPVSA-N 438.483 5.350 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccccc2)c1 170047682 YMZMBQWMMMNILF-RUZDIDTESA-N 427.500 5.187 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccc(F)cc2)c(C)c1 170062318 NEESISRJPCZXIB-DEOSSOPVSA-N 445.490 5.542 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccccc2F)s1 170071202 XPBNXZOORYCWKB-GOSISDBHSA-N 442.899 5.335 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2cccc(O)c2)cc1 170079443 BSUBDZSBFQZOGA-QHCPKHFHSA-N 447.918 5.952 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccc(C)o2)cc1 170101407 CQMQPDBPFLPLIT-OAQYLSRUSA-N 437.879 5.423 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2CCc2ccc(F)cc2)o1 170102732 YHCJWINJZRQWDE-HSZRJFAPSA-N 444.462 5.029 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cc(Cl)ccc3OC)=C(O)C(=O)N2c2ccccc2)cc1 170113358 CJXWZYNYXHOJRI-JOCHJYFZSA-N 449.890 5.140 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cccc(OC)c1 170121045 KMTFKOLLGFJDRB-XMMPIXPASA-N 433.548 5.343 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1C1CCCCC1 170123822 DPNNGBMKCFZRQX-DEOSSOPVSA-N 449.547 5.393 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1ccc(O)cc1 170133284 WKWDLDNOOJROEW-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2c2cccc(C)c2)c1 170140893 KJMGYIIYJLYTDP-AREMUKBSSA-N 437.539 5.965 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2cccs2)cc1 170159663 UXAQMDGAVRQIGS-QFIPXVFZSA-N 433.529 5.627 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cccc2ccccc12 170221221 ILNWXJBZPYKXTK-FYSMJZIKSA-N 427.500 5.152 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 170235159 NLPBTFKOLVDWJG-XMMPIXPASA-N 443.930 6.002 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@H]1c1ccc(Cl)cc1 170236094 OOSUYHRUNMLQSP-HXUWFJFHSA-N 427.928 5.344 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)cc(Cl)c2OC)[C@H]1c1ccc(F)cc1 170243418 FHYRVGYTAUDBDM-QGZVFWFLSA-N 438.282 5.129 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccccc1F 170249542 LAEMGKKADIUEFE-JOCHJYFZSA-N 435.426 5.065 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@H]2c2ccccc2F)cc1 170252645 TUHRPHPXWVHQMT-QHCPKHFHSA-N 439.527 5.773 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccccc1C 170272554 CHYSMYLYMWTWSL-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@@H]1c1ccco1 170285557 IIXUXQHOVPFSDK-JOCHJYFZSA-N 431.488 5.305 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccc(C)o2)c(C)c1 170302312 OMKCNECRODEJMX-HSZRJFAPSA-N 431.488 5.305 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C(C)(C)C)cc2)c1 170329879 YWHDTQLPJZGAPI-QFIPXVFZSA-N 431.488 5.369 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2cccc(OC(C)C)c2)c1 170347920 DPTLZGDNDVRHMO-XMMPIXPASA-N 442.515 5.269 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(O)c(Cl)c2)cc1 170367615 IRPDHFRITZQNTG-HXUWFJFHSA-N 439.920 5.452 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1cccc2ccccc12)c1ccccc1 170420740 PIGBCMSEWTXCTA-RUZDIDTESA-N 437.470 5.757 30 10 IKEE C=CCOc1cc(C(=O)N2CCC[C@H](c3nc4ccccc4n3C)C2)cc2sccc12 222374529 YSXUANSIBZCZGE-KRWDZBQOSA-N 431.561 5.373 30 10 IKEE COc1cccc(/C=C2/SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)c1O 252632448 VTQQBIKOGKYPLQ-XKEFNESHSA-N 430.529 5.826 30 10 IKEE C=CCn1c(SCC(=O)Nc2cc(F)ccc2C)nnc1C12CC3CC(CC(C3)C1)C2 253568159 KWPXWBXXPOILMM-UHFFFAOYSA-N 440.588 5.110 30 10 IKEE Cc1cccc(N=Cc2ccc(OC(=O)c3ccco3)cc2OC(=O)c2ccco2)c1C 254619512 RRQVCRXIBRNXBB-UHFFFAOYSA-N 429.428 5.678 30 10 IKEE CCOc1cc(/C=C2/C(=O)C(=O)c3ccccc32)cc(N=Nc2cccc([N+](=O)[O-])c2)c1O 254747064 QUUUBLZRQSTVCG-BLFXEREHSA-N 443.415 5.421 30 10 IKEE CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CC[C@H]4[C@H](C)CCCC(C)C)[C@@H]3C[C@H]3O[C@]32C1 261493362 VEEBKUQFPONGGR-SVOLYMLDSA-N 444.700 7.171 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3)n2/N=C\c2sccc2C)c1 526819086 OHYKVRNFMDPNGX-QQXSKIMKSA-N 446.645 6.225 30 10 IKEE CCOc1ccc(/C=N\n2c(C)nnc2SCc2cccc3ccccc23)cc1[N+](=O)[O-] 526821340 NMFJFNWWNJPVPC-OYKKKHCWSA-N 447.520 5.221 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(C)ccc(Br)c1F 721195079 RXHACZXPOVIHMW-MAUKXSAKSA-N 429.374 5.407 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CC[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C1 724076416 GWNJNPULQAYKKE-AOMKIAJQSA-N 435.590 5.072 30 10 IKEE COc1ccccc1/C(O)=C(/C(=S)Nc1ccccc1C#N)[n+]1ccc2c(c1)CCCC2 917612280 NMIZJAFEJSVOTK-UHFFFAOYSA-O 442.564 5.056 30 10 IKEE CCC(C)=NNc1nc2cc(C)c(NC(=O)c3cc(OC)cc(OC)c3)c(C)c2s1 1081377963 YWQNKMGYWWWPGU-UHFFFAOYSA-N 426.542 5.380 30 10 IKEE CCOc1cccc(C=Nc2cc(C(F)(F)F)ccc2OCC(F)(F)C(F)F)c1O 1084621982 KENFDMBWEDLCAR-UHFFFAOYSA-N 439.327 5.840 30 10 IKEE Cc1cc(C)c(-c2nn(-c3ccccc3)cc2C=NNc2oc(C(C)C)nc2C#N)c(C)c1 1772722016 VWXUFLIKZAEXJY-UHFFFAOYSA-N 438.535 5.894 30 10 IKEE Cc1cccc(N=C2S/C(=C\C(Cl)=C\c3ccccc3)C(=O)N2c2ccccc2)n1 1772734753 DXKFZXIIQKFURO-GQPOHDIQSA-N 431.948 6.321 30 10 IKEE Cc1c(N=Nc2ccc(Cl)cc2Cl)c(O)n(CCc2ccccc2)c(=O)c1C#N 1772740578 RKWSKPVDZSORNI-UHFFFAOYSA-N 427.291 5.699 30 10 IKEE Cc1c(N=Nc2ccc([N+](=O)[O-])cc2Cl)c(O)n([C@H](C)c2ccccc2)c(=O)c1C#N 1772741246 BSGIPVOUCPAYNY-CYBMUJFWSA-N 437.843 5.320 30 10 IKEE Cc1ccc(-c2cc3ccccc3oc2=NN=C2SCC(=O)N2c2cccc(C)c2)cc1 1772743082 ICMCGPZDZDMCPF-UHFFFAOYSA-N 439.540 5.668 30 10 IKEE CC(=C/c1ccccc1)/C=C1\SC(=NN=Cc2cccnc2)N(Cc2ccco2)C1=O 1772758302 QWXKTRALIQPCKW-UNAXVMICSA-N 428.517 5.128 30 10 IKEE C=CCN1C(=O)/C(=C/c2cccc3ccccc23)SC1=Nc1ccc(C(=O)O)c(O)c1 1772761133 XGGPAGIAQNRKRN-RNUJJHFSSA-N 430.485 5.034 30 10 IKEE C=C1CC[C@@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]([C@@H](C)/C=C/[C@](C)(O)C(C)(C)O)CC[C@@H]12 1857787893 BPEQZNMKGFTMQE-OSNUCARZSA-N 428.657 5.871 30 10 IKEE CN1CCN(c2ccc(C(F)(F)F)cc2Nc2nccc(-c3ccccc3)c2C#N)CC1 1859853525 RLUQJRNEVVBSNF-UHFFFAOYSA-N 437.469 5.134 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)Cc1ccccc1F)c1ccccc1 1861744354 VHDXUTQBJJDXLA-RUZDIDTESA-N 426.576 5.483 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1cccc(OCCC)c1 1862386363 LXFSFOUCYJGVQL-HXUWFJFHSA-N 446.330 5.547 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCc2ccccc2)c1 1862413224 YBAVHCIJOFQFSX-HSZRJFAPSA-N 433.454 5.094 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccccc2)c1 1862431550 JOIBWRJUNISCKC-JOCHJYFZSA-N 433.891 5.127 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC2=CCCCC2)c1 1862479105 YSAKOTIIPNPWKI-VWLOTQADSA-N 445.559 5.863 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1c(F)cccc1Cl 1862584763 HBXAFNNPULDOIS-QGZVFWFLSA-N 442.701 5.773 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(Cl)cc1Cl 1862587135 KFVKGBMUKFKVCQ-MRXNPFEDSA-N 445.129 5.898 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1c(F)cccc1Cl 1862592919 NHLJQNXSLNJGPY-GIWSNZPPSA-N 443.902 5.342 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc2ccccc12 1862652434 IODWUWUQQAQBPS-AREMUKBSSA-N 435.523 6.227 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(CC)cc1 1862724632 QMDMXZWJUJJBTP-AREMUKBSSA-N 439.555 6.294 30 10 IKEE CCCCc1ccc(NC2=C(c3ccc(C)cc3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862905481 PQQBVUBNOWWRNL-UHFFFAOYSA-N 435.527 5.606 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(N(CCC)CCC)cc2)=C(c2ccc(OCC)cc2)C1=O 1863216022 SJXQXWCXDDFUQY-UHFFFAOYSA-N 447.579 5.090 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2[N+](=O)[O-])C(=O)N(Cc2ccc(C)cc2)C1=O 1863589856 MLBJFZWIOUGFCB-UHFFFAOYSA-N 449.551 5.133 30 10 IKEE CCCc1nc(Nc2cccc(C#N)c2)cc(N2C[C@H](c3ccc(F)cc3)O[C@H](C)C2)n1 1868379203 ZNIDJJNCGKCOMK-VGOFRKELSA-N 431.515 5.150 30 10 IKEE N#Cc1nnn(-c2ccc(Cc3ccccc3)cc2)c1NC(=O)Cc1cccc2ccccc12 1870151792 LXJWLNLEQBXUTK-UHFFFAOYSA-N 443.510 5.064 30 10 IKEE CCCCCCCOc1cn(CCc2cnc[nH]2)c(CN(CCC)CCCC)cc1=O 1870412955 PCYDZZVEAVBHMZ-UHFFFAOYSA-N 430.637 5.175 30 10 IKEE C=CCOc1cn(CCc2ccc(C)cc2)c(CNc2ccc(F)c(Cl)c2)cc1=O 1870809547 IVESODWYCGYKMA-UHFFFAOYSA-N 426.919 5.369 30 10 IKEE C=CCOc1cn(CCc2ccc(F)cc2)c(CNc2ccc(Cl)c(C)c2)cc1=O 1870809585 KTHHPUKEGUPRIK-UHFFFAOYSA-N 426.919 5.369 30 10 IKEE C=CCOc1cn(CCCN(CC)CC)c(CNc2ccc(Cl)c(Cl)c2)cc1=O 1870810974 AXGLKWDVGFFCQK-UHFFFAOYSA-N 438.399 5.064 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccco1)O3)CN([C@@H](C)c1ccc3c(c1)CCCC3)CO2 1871353903 AWVIAOZVKOPRCJ-BDFPJNNISA-N 441.527 5.996 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc(C)cc4)cc(C)c3C2=O)c1 1871366384 BVLNDTHTPMSXIY-NJIOVVHDSA-N 426.468 5.547 30 10 IKEE C[C@H](Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O)C(=O)Nc1ccc(Cl)cc1 1871414590 OEMYGSCEZNGTFI-ZDXHCBJDSA-N 437.854 5.501 30 10 IKEE CCCCCCCCCCOC(=O)COc1ccc2c(=O)c(-c3ccccc3)coc2c1 1871427292 WZRWCQVPKJNSCM-UHFFFAOYSA-N 436.548 6.523 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(C)cc1)C2=O 1871429554 RVRMLJHOPJARAJ-ZKFYFQMZSA-N 436.548 6.201 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4nc5ccccc5s4)ccc3C2=O)c1 1871442419 LUXKRNKCXHDMIX-MTJSOVHGSA-N 442.496 5.238 30 10 IKEE Cc1c(OCC(=O)Nc2ccccc2Cl)ccc2c1O/C(=C\C=C\c1ccccc1)C2=O 1871455703 VEFCTCZKCCMONY-LZNIEJQKSA-N 445.902 5.838 30 10 IKEE C=CCN([C@H](CCC)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1 1871835162 HFQBEIHXKLKRDP-JOCHJYFZSA-N 449.016 5.448 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cccc(C(C)(C)C)c1)c1ccccc1)S(=O)(=O)C1CC1 1872228967 PMKSWRKLMLNDIB-QHCPKHFHSA-N 440.609 5.034 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccccc1C(C)C)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872460062 BMLNWIDAYKYLNO-RDPSFJRHSA-N 442.625 5.349 30 10 IKEE CCCCCCCCCCNC(=O)c1nonc1OCC(=O)Nc1ccccc1C(C)C 1872704874 AQNNTTUVVMRZLJ-UHFFFAOYSA-N 444.576 5.081 30 10 IKEE CC(C)c1ccccc1O[C@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(C(C)(C)C)cc2)cs1 1872773054 JZMDZMLJAXPUNH-GCJKJVERSA-N 446.616 6.875 30 10 IKEE COc1ccc(OC)c(CC(=O)[C@@H](C#N)c2nc(-c3cccc4ccccc34)cs2)c1 1872775574 UQLOEKISOCQJMY-OAQYLSRUSA-N 428.513 5.399 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2)=C(c2ccc(-n3cccc3)cc2)C1=O 1873204741 FRPNUHHXSXSDPB-UHFFFAOYSA-N 441.575 6.030 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(OC)cc2)=C(c2cccnc2)C1=O 1873265476 LQWQIWBBRYADSM-UHFFFAOYSA-N 435.568 5.423 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(OC)c(Cl)c2)=C(c2c(Cl)cccc2Cl)C1=O 1873289208 BCGVSPSKZQTMFR-UHFFFAOYSA-N 437.710 5.033 30 10 IKEE C=CCN1C(=O)C(Nc2cc(C)ccc2OC(C)C)=C(c2cccc(Cl)c2Cl)C1=O 1873342139 ULTJNUAPKSITNP-UHFFFAOYSA-N 445.346 5.467 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccccc3OCCC)c(=O)oc2c1C 1873927001 VSMJGMLKFGWPMR-UHFFFAOYSA-N 435.520 5.335 30 10 IKEE CCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1cccc2ccccc12 1874248329 KIFSGQWZFFYXBP-NLRVBDNBSA-N 430.577 5.746 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccc(F)cc1F 1874265020 HTSZDBTWOBLTMK-YSURURNPSA-N 434.899 5.339 30 10 IKEE CCCCC1CCC(c2nnc(SCCc3ccccc3)n2/N=C/c2cccn2C)CC1 1874288174 QZQVQJROMVXOEI-NHFJDJAPSA-N 449.668 6.298 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccc(C)cc3C)n2/N=C/c2ccccn2)c1 1874325866 MAZPVZVKLYHGDR-JFLMPSFJSA-N 443.576 5.352 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccc(F)cc3)n2/N=C/c2cccnc2)cc1C 1874330357 RHFZJOIXFRWNAI-LQKURTRISA-N 445.567 5.389 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3Cl)n2/N=C/c2ccc[nH]2)cc1 1874349653 XFZPQVUJRPBGDM-AFUMVMLFSA-N 437.956 5.034 30 10 IKEE Oc1ccccc1/C=N/n1c(COCc2ccccc2)nnc1SCc1cccc(F)c1 1874354219 YAOLQKSWQCPZKF-VULFUBBASA-N 448.523 5.014 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2-c2ccccc2Cl)cc1 1874365782 VBPLEJVJZAKDNV-JFLMPSFJSA-N 447.007 6.698 30 10 IKEE C=CCSc1nnc(COc2ccccc2)n1/N=C/c1c(OC)ccc2ccccc12 1874385840 LLNXFWUHTKMBEJ-PCLIKHOPSA-N 430.533 5.179 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2cc(C)ccc2O)cc1 1874387301 GALJFIPUUDGJLV-JVWAILMASA-N 442.588 5.674 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2[C@@H]2CCCO2)cc1 1874445390 DFDAXXQMLSXKHC-IBUSPFOHSA-N 436.581 5.320 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2ccc(Cl)c(Cl)c2)nnc1C(C)(C)C 1874486052 YTYJCTYNDUILMM-WYMPLXKRSA-N 433.408 6.365 30 10 IKEE CCSc1nnc(CC(C)C)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874487799 HNOIWXSZDHNADE-ZVHZXABRSA-N 428.989 5.703 30 10 IKEE CCOc1c(/C=N/n2c(CC(C)C)nnc2SCCc2ccccc2)cccc1OC 1874490314 KDCAHGVKVUVKON-KOEQRZSOSA-N 438.597 5.101 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CCC2)c(O)c1 1874497156 XQTFTSOUMYPBHM-AFUMVMLFSA-N 430.533 5.285 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CCC)nnc2SCc2cc(C)ccc2C)cc1 1874507741 RVCDENXYKYKSRF-YZSQISJMSA-N 436.625 6.201 30 10 IKEE COc1cccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C(C)C)c1O 1874515359 YDTFAPSCEAJKMA-AUEPDCJTSA-N 434.924 5.083 30 10 IKEE Cc1ccc(CSc2nnc(C3CC3)n2/N=C/c2cc(Br)ccc2O)cc1 1874517167 UGNGYOFOABRXQL-SSDVNMTOSA-N 443.370 5.107 30 10 IKEE Cc1cccc(CSc2nnc(C3CC3)n2/N=C/c2cccc(Br)c2)c1 1874518513 WVPWAQHJUFIBAZ-WSDLNYQXSA-N 427.371 5.401 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Br)cc(OC)c2OCCC)cc1 1874573753 CWBBFDLJIWCFKY-OUKQBFOZSA-N 431.370 6.485 30 10 IKEE Cc1cc(C(=O)/C=C/c2cc(Br)ccc2OCc2cccc(F)c2)ccc1F 1874580331 IYDZITILJCMJIH-RMKNXTFCSA-N 443.287 6.511 30 10 IKEE CCc1ccccc1NC(=O)COc1ccccc1/C=C/C(=O)c1c(C)c(C)cc(C)c1C 1874586766 DDPWFRNDNDCLHV-FOCLMDBBSA-N 441.571 6.396 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3c(C)cccc3C)c2)cc1 1874595014 PNSOOXFYQWCYJO-RIYZIHGNSA-N 445.515 5.234 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(Cl)c1OCc1ccc(C)cc1 1874602466 NUQWLAGZISFCTN-SDNWHVSQSA-N 442.942 7.285 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)ccc1OCc1cc(C)ccc1C 1874604393 KEGZMFMCXLUFPG-FMIVXFBMSA-N 446.543 6.194 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(CCCC)cc2)cc(OC)c1OCC(=O)NCCC 1874607417 NEBLHMJUMFNFHM-DTQAZKPQSA-N 449.591 5.567 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(F)cc3)c(OCC)c2)cc1 1874617182 OVOWYYIXCLKXGN-VIZOYTHASA-N 434.507 6.488 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCc3ccccc3Cl)cc2)cc1C(C)C 1874627764 VDXALMBSHDQYQW-SDNWHVSQSA-N 434.963 7.256 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)c(C)c1 1874633963 DPZQTDJEGQJTGB-JLHYYAGUSA-N 427.544 6.142 30 10 IKEE COc1ccccc1OCC(=O)Oc1cccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c1 1874693366 BHXHPXGEZWEXST-DTQAZKPQSA-N 442.511 5.455 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@H]3C[C@H]3c3ccccc3Cl)c2)cc1 1874709856 LRYMQEKKUUJFLJ-DBYHGHSOSA-N 444.958 7.069 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1sccc1C 1875095955 PMOAOUGSPFKVDQ-YRNVUSSQSA-N 428.509 6.334 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3OC)c(Cl)c2)cc1 1875100064 MEFDCMQVKCFMJU-GXDHUFHOSA-N 434.919 5.955 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 1875100982 MELGSDZZBKXXBV-ZRDIBKRKSA-N 447.443 5.117 30 10 IKEE COCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1OC 1875104173 JZRLAHYPQLUTAS-ZZXKWVIFSA-N 429.683 5.103 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(OC)cc3)cc2)cc1 1875105616 DNACBZXTCSNONH-XDHOZWIPSA-N 428.528 6.082 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(C)c(C)c3)cc2)cc1C 1875107534 VGBGJZOTWXXSLM-MDWZMJQESA-N 430.500 5.501 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(Cl)c3)c(OC)c2)cc1 1875107712 FYEOYJUHCKGNME-RVDMUPIBSA-N 448.946 6.807 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2Cl)cc(OC)c1OC(=O)c1cccnc1 1875110349 HDUJDIGZDCRQJS-VAWYXSNFSA-N 433.891 5.587 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)c1cnc(C)cn1 1875111601 MEDKMZJPHUNYAP-BQYQJAHWSA-N 443.286 5.216 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 1875131481 ZZHVVMADSNHOPQ-LNKIKWGQSA-N 447.443 5.117 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)[C@@H](C)c1ccccc1 1875132365 QNEKIPKMXKOFKM-BJRSVTDJSA-N 434.919 6.262 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1Br 1875141633 NRGOOKTXSAXGHE-XYOKQWHBSA-N 447.344 6.669 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)[C@H](C)c1ccccc1 1875152236 KXPMTUGJMHNESO-VGMNTSGFSA-N 430.456 5.029 30 10 IKEE Cc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2[N+](=O)[O-])c1 1875156665 IDXNVWKZOJHMRQ-NTUHNPAUSA-N 429.472 6.142 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)ccc1OC(=O)c1ccncc1 1875181870 AXFLPOBQNKMXJV-GQCTYLIASA-N 437.879 5.176 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N1CCC[C@@H](C)C1)n2CCC 1875205739 URVVMHVAEDJFJW-OAQYLSRUSA-N 441.664 6.266 30 10 IKEE CC1(C)OCC[C@]1(C#N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875690318 SRJNDPMVCPQNGW-IAPPQJPRSA-N 443.543 5.587 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C(C)(C)C1 1880303980 NWGHRPAOVKBCCT-RUZDIDTESA-N 443.588 5.353 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]([C@](C)(C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 1880503378 NGVHLXNBRUQJJJ-FHAGJXEFSA-N 443.588 5.399 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)CCCSc3ccc(F)cc3)cc21 1890686319 VMUYTUOXUYAORF-UHFFFAOYSA-N 442.556 5.274 30 10 IKEE Cc1cc(Nc2ccc(NC(=O)c3ccc(C#N)cc3)cc2)nc(NC2CCCCC2)n1 1891419763 CPEDAILRJOVJDI-UHFFFAOYSA-N 426.524 5.397 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C)NCCC 1922095073 QHTAULGOUJKZQP-DHIUTWEWSA-N 428.617 5.307 30 10 IKEE CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1938158446 XZQFJSZEOAGGOK-CRAIPNDOSA-N 437.968 5.525 30 10 IKEE CCC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 1945773224 NMMVETKKCTUTFD-LPHOPBHVSA-N 435.540 5.400 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@]1(C#N)CCN(Cc2ccccc2)C2(CC2)C1 1997673809 MGSWFHSQMVBPIK-RUZDIDTESA-N 437.609 5.576 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H]1CCC[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C 2005267134 IGDLHWRRFXQWCG-LWSSLDFYSA-N 428.617 5.163 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CC(C)(C)[C@H]2OCc2ccccc2)c1 2038722945 AAFNFAACMSRKPP-GJZUVCINSA-N 436.552 5.714 30 10 IKEE N#Cc1c(N=CC(Br)=Cc2ccccc2)oc(-c2ccco2)c1-c1ccco1 2040467022 SIASYCLQGUBGGE-UHFFFAOYSA-N 433.261 6.810 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@]1(C#N)CCC(F)(F)C[C@H]1OCc1ccccc1 2043782133 NGSYCGINVWGJAD-QPPBQGQZSA-N 448.554 6.223 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2)NCCC 2054642100 ZWJXPKMXDLBSAA-TZRRMPRUSA-N 442.644 5.601 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)cc1Cl)NCCC 2063095318 QGPACODIUQMTCT-IRXDYDNUSA-N 431.802 5.093 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2070602166 FJFWPASTEWYHHX-XDHUDOTRSA-N 447.551 5.497 30 10 IKEE C=CCC1([C@H](NCC)c2cccc(Br)c2Cl)CN(C(=O)OC(C)(C)C)C1 2136583370 FHFOQLWBRHZYHP-QGZVFWFLSA-N 443.813 5.566 30 10 IKEE CC(C)(C)OC(=O)N1CCC(CCCNc2cc(Br)cc(F)c2C#N)CC1 2163692687 PPTPPUOIQSFXKR-UHFFFAOYSA-N 440.357 5.299 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2cc(Br)ccc2C#N)CC12CCCC2 2194600900 QZFNURNYWGPHQG-QGZVFWFLSA-N 434.378 5.445 30 10 IKEE CC#C[C@H](NCCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2218403525 QRIBATLILSXSQR-LBNVMWSVSA-N 429.560 5.270 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](Nc3ccc(C#N)cc3Br)CCC[C@H]2C1 2233763252 NMSNSJSYHRTVFT-JZXOWHBKSA-N 434.378 5.158 30 10 IKEE CN[C@H](C#Cc1ccccc1Br)[C@@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C 2235732160 RPEYRQYURZGIFL-RTBURBONSA-N 437.422 5.060 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N(Cc1ccccc1)CC1CCCCC1 2282131161 SBMLRVVCLPCYGN-UHFFFAOYSA-N 447.428 5.517 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@H]1C[C@H](C(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2308482284 UXFBYLGFIWAOBV-TZRRMPRUSA-N 444.660 5.657 30 10 IKEE CC1(C)CC(=O)C2=C(C1)N=C1N=C(SCc3ccccc3)NN1[C@@H]2C=Cc1ccccc1 2313680974 GYINBIQYDGIHTQ-OAQYLSRUSA-N 442.588 5.191 30 10 IKEE COC(=O)c1ccc(C=C2Oc3c(ccc(OCc4ccccc4Cl)c3C)C2=O)cc1 2321762135 CMMHWPBXTRWUTM-UHFFFAOYSA-N 434.875 5.630 30 10 IKEE Cc1c(OCc2c(Cl)cccc2Cl)ccc2c1OC(=Cc1ccc(Cl)cc1)C2=O 2321779721 HILNBTHVVQXDOC-UHFFFAOYSA-N 445.729 7.150 30 10 IKEE Cc1c(OCc2cc(Cl)cc3c2OCOC3)ccc2c1OC(=Cc1ccncc1)C2=O 2321876829 TXRKUFLIBQMKTO-UHFFFAOYSA-N 435.863 5.105 30 10 IKEE Sc1nnc(Cc2cccs2)n1N=Cc1cccc(OCc2ccccc2Cl)c1 2321884411 XPWJOCQTCUHBME-UHFFFAOYSA-N 440.981 5.334 30 10 IKEE Sc1nnc(CC2CCCCC2)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2321958553 ONZVXIJGMMZLTN-UHFFFAOYSA-N 441.000 5.804 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(Cl)cc1C=CC(=O)c1cccc([N+](=O)[O-])c1 2322312114 VJDVDQKUXKADCY-UHFFFAOYSA-N 444.915 5.172 30 10 IKEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2c(F)cccc2Cl)C3=O)cc1 2322687721 CQOXHXJKXHJTBG-UHFFFAOYSA-N 438.838 5.632 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccccc2OCc2ccc(Cl)cc2)cc1C(C)C 2322788513 KQQWHPWMNBTTGQ-UHFFFAOYSA-N 434.963 7.256 30 10 IKEE COc1cccc(C=CC(=O)c2cc(Cl)ccc2Cl)c1OCc1ccc(Cl)cc1 2323005216 TXMIHRCAVGDRFC-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2)c(Br)c1OCc1ccccc1 2323153596 IQBJNAUZLILRHA-UHFFFAOYSA-N 437.333 6.241 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OCC(=O)Nc1ccc(C)cc1 2323169027 YFZGIENMSYEXOU-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE CCc1ccccc1NC(=O)COc1cccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)c1 2323195499 LNBCEILOJLDSTP-UHFFFAOYSA-N 441.571 6.460 30 10 IKEE Cc1ccc(OCC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2323195571 VNROXKOWTIXDLL-UHFFFAOYSA-N 434.875 5.557 30 10 IKEE COc1cccc(C=NNc2nc(O)cc(-c3ccccc3)n2)c1OCc1cccc(C)c1 2323260088 TUAOAYLZBXXVPM-UHFFFAOYSA-N 440.503 5.191 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc(F)c2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 2323519047 FMAYTWKGQBQPEJ-UHFFFAOYSA-N 446.261 6.516 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)ccc3C2=O)cc1 2323701071 HGFZJKNHGCWIKF-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccccc2OC)cc1Cl 2323701535 VZORBNFTEQYOGS-UHFFFAOYSA-N 429.944 5.272 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(F)cc3F)cc2Cl)o1 2323720516 FIZHDCSBEQNTFG-UHFFFAOYSA-N 446.833 5.863 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Cl)c1OCc1ccccc1F 2323767198 HJPXQFRWBMEGCQ-UHFFFAOYSA-N 445.317 7.006 30 10 IKEE Cc1sc(NN=Cc2cc(Cl)c(OC(C)C)c(Cl)c2)nc1-c1cccs1 2323870710 REQDIFMKSVDJLK-UHFFFAOYSA-N 426.394 6.720 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)cc1F 2324107307 BLZCCNILNSDAOM-UHFFFAOYSA-N 440.898 6.280 30 10 IKEE Cc1ccc(C)c(COc2ccc(C=CC(=O)c3cccc4ccccc34)cc2[N+](=O)[O-])c1 2324139959 SXYACKABCKMICI-UHFFFAOYSA-N 437.495 6.840 30 10 IKEE Cc1ccc(OCCCOc2ccc3c(c2)OC(=Cc2ccc4c(c2)OCO4)C3=O)cc1 2324545324 NTXLGTGCJHWOLV-UHFFFAOYSA-N 430.456 5.188 30 10 IKEE COc1ccc(OCCOc2ccc3c(c2C)OC(=CC=Cc2ccccc2)C3=O)cc1 2324683519 PWOZDQCNPMLDMX-UHFFFAOYSA-N 428.484 5.634 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3cccc(Cl)c3)n2)c2ccccc12 2324840862 MFVJEUFHSYKNRA-OAQYLSRUSA-N 444.943 6.515 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCc4cccc(Oc5ccccc5)c4)ccc3C2=O)cc1 2325345596 QPDIXJPYQLREGT-UHFFFAOYSA-N 434.491 6.983 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1cccc(Cl)c1)C2=O)Nc1ccc(Cl)cc1 2325513360 VIXDIPMTLNPWFI-UHFFFAOYSA-N 440.282 5.627 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1N=Cc1cc(Cl)c(O)c(OC)c1 2325514032 PTCNWVLZLDPTKW-UHFFFAOYSA-N 430.961 5.163 30 10 IKEE CCCOc1ccc(C=Nn2c(C)nnc2SCc2cccc(F)c2)cc1OCC 2325623606 XWDMKGXDABXPRI-UHFFFAOYSA-N 428.533 5.088 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3sccc3C)c2)cc1OC 2325702614 VQXPJJMUAJQJMX-UHFFFAOYSA-N 438.501 5.198 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccccc3OC)c2)cc1C 2325713465 BEMMNKWMSDWFSC-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE CCCCCCCCC(=O)Oc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC 2325741523 ASSRKNDDOWOUHS-UHFFFAOYSA-N 426.528 6.695 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3cc(C)c(OC)cc3C)c2)cc1 2325770899 NCSFAMBHWTUILG-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(OCC(C)C)cc1 2326272750 PXUNOVDUXFDOGP-UHFFFAOYSA-N 440.588 5.969 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccccc1OCC(C)C 2326350583 FYJAOJOLXQYAHI-UHFFFAOYSA-N 428.989 5.703 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccc(OCC)c(Cl)c1 2326388807 ROELANUKEHRTKB-UHFFFAOYSA-N 443.016 6.156 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1ccc(OCCC)cc1 2326446253 NGQCSYFLECBLBH-UHFFFAOYSA-N 436.625 6.201 30 10 IKEE CCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1c[nH]c2ccccc12 2326514848 WMGQVKSNHUKEBF-UHFFFAOYSA-N 425.945 5.294 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccccc1C(F)(F)F 2326637399 MWWHZPBQZOFLHF-UHFFFAOYSA-N 440.494 6.187 30 10 IKEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1cccc(OCC)c1 2328075349 LTQLYGNZHKHVIA-UHFFFAOYSA-N 426.973 5.276 30 10 IKEE CCCSc1nnc(CCOc2ccccc2)n1N=Cc1c(OC)ccc2ccccc12 2329209634 SQIOPGZIZFBZGF-UHFFFAOYSA-N 446.576 5.446 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2N=Cc2ccc(F)cc2)c1 2329400881 XQGNJCLHTIMHSY-UHFFFAOYSA-N 444.579 6.108 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(F)c3)n2N=Cc2ccccc2C)cc1C 2329407589 HBAGRTWOVNVXAT-UHFFFAOYSA-N 444.579 6.108 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc(F)c2)c(Cl)c1)c1ccc2ccccc2c1 2330662106 RIPRPIYDRHDSQD-UHFFFAOYSA-N 430.862 6.748 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)cc(Cl)c1OC(=O)CCCSC 2330792426 FTLPBHLHPZTQBR-UHFFFAOYSA-N 448.968 5.692 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1OC(=O)C(C)C 2330814630 RVYJAJOJLVMZNV-UHFFFAOYSA-N 441.738 6.503 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccccc1 2330820992 PYEKLVBZJFGYPF-UHFFFAOYSA-N 441.310 6.507 30 10 IKEE Cc1cccc(CSc2nnc(C3CCCC3)n2N=Cc2ccccc2OC(C)C)c1 2331045300 YJGRLMZWVDSTLL-UHFFFAOYSA-N 434.609 6.206 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)CCOc1ccccc1 2331183306 QMMHQJRAZVJCBX-UHFFFAOYSA-N 442.511 5.694 30 10 IKEE COCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(F)cc1F 2331300754 KIVJZERJPOEPAE-UHFFFAOYSA-N 438.503 5.073 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cncc(C)c3)c(Cl)c2)cc1 2331304026 HVSKQBPADBQFBL-UHFFFAOYSA-N 435.907 5.948 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(Cl)c(OC(=O)C2CCCC2)c(OC)c1 2331351649 MJLJADGNTWCNEE-UHFFFAOYSA-N 428.912 5.657 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc(F)c2)n1N=Cc1c(Cl)cccc1Cl 2331382902 UKLCZXJFRVCDHX-UHFFFAOYSA-N 437.371 6.196 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1c[nH]c2ccccc12 2331385642 UBURHFFVRVAYFO-UHFFFAOYSA-N 434.525 5.140 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(CC(C)C)n2N=Cc2ccc(Cl)cc2)c1 2331437754 LDEPUCZDVDUYBF-UHFFFAOYSA-N 441.988 5.051 30 10 IKEE CCOc1c(C=Nn2c(CC(C)C)nnc2SCCc2ccccc2)cccc1OC 2331457805 KDCAHGVKVUVKON-UHFFFAOYSA-N 438.597 5.101 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cccs3)c([N+](=O)[O-])c2)cc1 2331498001 XVUCTKCQQGVQAC-UHFFFAOYSA-N 435.501 5.824 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)CCCCCC 2331569517 KLWLQUCQXWXMNG-UHFFFAOYSA-N 442.502 6.474 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCc3ccccc3F)nnc2C(C)C)cc1 2331699437 QNDMUEALCXBOQD-UHFFFAOYSA-N 426.561 5.894 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(C3CC3)n2N=Cc2ccccc2Cl)c1 2331731037 MTMBEEUCWNXFHU-UHFFFAOYSA-N 439.972 5.039 30 10 IKEE CC[C@@H](C[C@H](C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339578820 MTVOOFSDOVOIKR-YFOSEYIMSA-N 446.397 5.187 30 10 IKEE C=CC/N=c1\scc(-c2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc2c(c1)OCO2 15911442 MFXDRBSLGLZLGR-VRHKGWOZSA-N 432.332 5.221 30 10 IKEE O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1cccc(Cl)c1Cl)Nc1ccccc1N2 21231124 UZBDQMWPRYHQGN-NPMABZOXSA-N 441.383 7.034 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)c4ccccc4Br)ccc3C2=O)cc1 33367366 NWNHXICYRHKGHR-XKZIYDEJSA-N 449.300 5.847 30 10 IKEE O=C1NC(=N/c2ccc(Cl)cc2)/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)S1 33567957 KMKKCKFHTIMGAQ-WQRHYEAKSA-N 448.853 7.146 30 10 IKEE C=CCN(CC(=O)N(Cc1ccccc1)Cc1ccco1)C(=O)Nc1ccccc1CC 35766378 JKRLMWFOSWMMPA-UHFFFAOYSA-N 431.536 5.091 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\Oc3ccc(C)cc3C2=O)cc1F 39842429 ABZSZLLRTUETTH-OYKKKHCWSA-N 426.447 5.612 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1ccc(OCC)cc1 40098267 XGJNKILGXHIKCR-JOCHJYFZSA-N 449.503 5.219 30 10 IKEE COc1ccccc1CN1COc2ccc3c(c2C1)O/C(=C\c1ccc(C(C)C)cc1)C3=O 41655233 YSJOWIIMFQXVAX-WGARJPEWSA-N 441.527 5.787 30 10 IKEE CCCOC(=O)c1cc(-c2ccc(/C=N/Nc3ccc(C)c(Cl)c3)o2)ccc1Cl 59862622 AZQIYBTUJRGIHT-DHRITJCHSA-N 431.319 6.575 30 10 IKEE C=C(C)COc1ccccc1NC(=O)CNc1cccc(C(=O)N[C@H](C)c2ccccc2)c1 66096878 GMGOLBUWLXOZIH-HXUWFJFHSA-N 443.547 5.183 30 10 IKEE C[C@]12CC[C@H]3[C@@H](CCC4=C/C(=N\Oc5ccc(C(F)(F)F)cc5)CC[C@@]43C)[C@@H]1CC[C@@H]2O 95857974 NIMMANWFSVWGSX-FDWDNMAVSA-N 447.541 6.764 30 10 IKEE COc1cccc(C(=O)/C=C\Nc2ccc(N/C=C\C(=O)c3cccc(OC)c3)cc2)c1 102416376 UGZFJQIQAGKUKL-VMNXYWKNSA-N 428.488 5.321 30 10 IKEE COc1ccccc1CC/N=C\c1ccnc(SCc2ccc(Cl)cc2Cl)n1 109227195 LWSQGRXLEFAXET-CFRMEGHHSA-N 432.376 5.746 30 10 IKEE CCCCCCCNc1ccc(NCCCCCCC)c2c1C(=O)c1ccccc1C2=O 146908674 FOVQOVMFSCSFBQ-UHFFFAOYSA-N 434.624 7.227 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2cccc(C)c2)cc1 169922844 WJDYDCJXCUDCQX-XMMPIXPASA-N 427.500 5.403 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccc(OC)cc2)cc1 169925683 SQUSFXSQLJZJKE-RUZDIDTESA-N 441.527 5.657 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2cccc(C)c2C)c1 169933953 JEHSWECYEUXHIR-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE CCN(Cc1ccccc1)c1ccc(/C=N\Nc2nc(-c3ccc(OC)cc3)cs2)cc1 169940913 RKIADBBNPLVNFZ-PKAZHMFMSA-N 442.588 6.291 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2ccccn2)c1 169993967 FFVLVBWRNIBHEB-QFIPXVFZSA-N 432.907 5.443 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(Cl)ccc2C)[C@H]1c1ccccn1 169994577 JEWGWJIPLKZFEU-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@H]2c2ccncc2)cc1 170016988 UTWKUTSGUGUNLA-DEOSSOPVSA-N 440.543 5.724 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2C)[C@@H]1c1ccncc1 170022288 DWIUKIWZARGGND-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2sccc2C)cc1 170105816 RGXFKUUBUSGDMR-LJQANCHMSA-N 439.920 5.501 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C2CCCC2)cc1 170117046 DGFFHGHJOIXHAQ-HXUWFJFHSA-N 446.330 5.523 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccnc2)cc1 170197122 NCNTXYQTBWBOMF-QHCPKHFHSA-N 434.536 5.172 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2)ccc1Cl 170221622 TZWBGURJKDCTNI-FQEVSTJZSA-N 439.920 5.189 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccccc2)c1 170227833 BOVNQEVPFFLNIU-XMMPIXPASA-N 443.499 5.271 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@H]1c1ccco1)c1ccc(Cl)cc1 170287298 MMOJUSJGSKIMQQ-QFIPXVFZSA-N 429.859 5.869 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccc3ccccc23)cc1 170369823 MGIAQYABNYCDGR-VWLOTQADSA-N 435.479 5.631 30 10 IKEE CC(C)Oc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCc2ccc(F)cc2)c1 170475810 FCYALNSUQWLAED-HSZRJFAPSA-N 449.478 5.027 30 10 IKEE CC(=NOCC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N)c1cccs1 252634248 WLRGDZXANHXURB-UHFFFAOYSA-N 441.512 5.926 30 10 IKEE C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C/c1cccc(Cl)c1Cl)C2=O 253578363 YGBQOUNQDOEMKJ-FBQSBUIASA-N 445.430 6.880 30 10 IKEE CCCOc1cccc([C@H]2C(c3ccc(OC)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 526487027 SULSGESSWVXXQE-VWLOTQADSA-N 440.499 5.413 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(Sc3ccccc3)C2=O)cc1C 526656978 DTMLBHIWPPRFSI-UHFFFAOYSA-N 425.513 5.164 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)cc2F)cc1 526708747 QPFLEUVOAQKFPQ-HSZRJFAPSA-N 447.481 6.045 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2C)cc1 526711020 WLCCBZNCOCZBKC-QHCPKHFHSA-N 447.918 5.830 30 10 IKEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1c(Cl)cccc1Cl 526813897 DMUBJRFDZNLORD-UYOCIXKTSA-N 446.190 6.375 30 10 IKEE CCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccccc2Cl)cc1OC 526816337 CTLBQBZEEWDXSE-QRVIBDJDSA-N 430.961 5.076 30 10 IKEE CCCOc1ccc(/C=N\n2cnnc2SCc2c(F)cccc2Cl)cc1Cl 526817326 SCZZHGMNSKXGAC-VROXFSQNSA-N 439.343 5.687 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 698990111 VFJNKMMEZRMYNX-YADARESESA-N 445.560 5.118 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCN(C(=O)OC(C)(C)C)CC2)c1 704042946 LXBKPWHZGMTYSK-XMMPIXPASA-N 445.560 5.120 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]([C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 710703500 SXSOSUXTNNIJPF-WAIKUNEKSA-N 433.524 5.106 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 724090405 QXQXHVZHQDZMPR-XDHUDOTRSA-N 447.551 5.544 30 10 IKEE Cc1ccc2nc(-c3ccc(N=Cc4ccccc4OCc4ccccc4)cc3)sc2c1 725390909 IGSCTUGJTXRAFR-UHFFFAOYSA-N 434.564 7.601 30 10 IKEE Oc1ccc(Cl)cc1C=Nc1ccc2nc(SCc3ccc(Cl)cc3)sc2c1 1084020836 NKBAPNVVTNRWRC-UHFFFAOYSA-N 445.396 7.352 30 10 IKEE O=C(Nc1ccccc1)[C@H]1CC(=O)N(Cc2ccccc2)C(=Nc2cccc(Cl)c2)S1 1084061614 QJWQFHGQBHIBOB-OAQYLSRUSA-N 449.963 5.501 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)CCSc2n[nH]c(NN=Cc3ccc(F)cc3)n2)cc1 1084328547 WHQGMNWUNQCCKK-OAHLLOKOSA-N 440.548 5.024 30 10 IKEE Cc1ccccc1CSc1n[nH]c(NN=Cc2ccc3ccc4cccc5ccc2c3c45)n1 1084364410 DGSCQXIFXSCGOV-UHFFFAOYSA-N 447.567 6.749 30 10 IKEE Cc1cc2c(c(/C=N\c3ccc(Cl)cc3)c1)O[C@@]1(C=C2)Oc2ccccc2C(=O)N1C 1084616865 WVPSOJOJSDUJAW-ZKWPTUIMSA-N 430.891 5.623 30 10 IKEE C=CC[C@H]1CCCC[C@H]1NC(=O)CCSCc1nc(O)c2c3c(sc2n1)CCCC3 1557474552 GSXMPMMENHSPIC-DOTOQJQBSA-N 445.654 5.150 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)SC1=Nc1cccnc1 1772731373 LNMQPNCKMNFJOK-YOIRLTMBSA-N 429.545 5.593 30 10 IKEE Cn1cc(/C=C2\SC(=Nc3cccnc3Cl)N(c3ccccc3)C2=O)c2ccccc21 1772731893 BHNLZWSXXPIZOG-PAMLCIOASA-N 444.947 6.035 30 10 IKEE Cc1c(C(=O)Nc2nccs2)oc2c1C(=NNc1cccc(C(F)(F)F)c1)CCC2 1772750813 NEQGAAQMLVDPNQ-UHFFFAOYSA-N 434.443 5.468 30 10 IKEE Cc1ccc(-c2nn(-c3cccc(F)c3)cc2/C=N\NC(=S)Nc2cccc(F)c2)cc1 1857808741 KKHHXOYIOOSWOX-VYYCAZPPSA-N 447.514 5.446 30 10 IKEE N#Cc1cccc(NC(=O)Oc2ccc(CNC(=O)CCCc3ccc(Cl)cc3)cc2)c1 1858907387 OJMWXEGPSYRBHQ-UHFFFAOYSA-N 447.922 5.462 30 10 IKEE CCOC(=O)c1sc(NC(=O)c2cc(C(C)(C)C)nc3ccc(C)cc23)c(C#N)c1C 1859643480 GBXLKBBSYOPAGP-UHFFFAOYSA-N 435.549 5.511 30 10 IKEE CCOc1ccc2c(=O)c(-c3ccccc3)c(C(=O)Nc3oc(C)c(C)c3C#N)oc2c1 1859760327 IETIKHOOXQXICJ-UHFFFAOYSA-N 428.444 5.193 30 10 IKEE Cc1nc(-c2ccccc2)ccc1C(=O)Nc1c(C#N)cnn1-c1cc(C)c2ccccc2n1 1859763482 PBBJJZKJXUGBBF-UHFFFAOYSA-N 444.498 5.223 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)[C@H](C)Oc1ccc(C(C)C)cc1 1861682927 MGJBSPLVWUWTKI-XUZZJYLKSA-N 432.649 5.729 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cccc2ccccc12 1861722123 JAZJREXEDTVZNY-SANMLTNESA-N 446.591 5.363 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@H](C)CC)c1 1862419607 WLBFZAMJCZJGHF-SZNDQCEHSA-N 429.463 5.130 30 10 IKEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc2ccccc12 1862449829 SZYZHBFODRJVFD-QHCPKHFHSA-N 448.950 5.023 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccccc1 1862464512 AEBNZOMLRBVAQG-IBGZPJMESA-N 428.326 5.074 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1ccc(Cl)cc1Cl)c1c(F)cc(F)cc1F 1862467443 QAUARKFRNCWLDJ-QGZVFWFLSA-N 442.220 5.151 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(F)cc2F)cc1 1862477709 PGLZEZPUYHLLFL-QHCPKHFHSA-N 433.454 5.360 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2cccc(F)c2)c1 1862489569 XNLUFYKUGAYNPE-VWLOTQADSA-N 443.518 5.838 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 1862531388 MQUIOGMLZZHXAN-RUZDIDTESA-N 447.619 6.705 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2ccc(C)cc2)cc1 1862531882 DPTAAIOXJJIVGG-QHCPKHFHSA-N 431.557 5.440 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1C1CCCCCC1 1862544566 GQIAYBGWVPEQIQ-AREMUKBSSA-N 443.587 6.175 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C(C)C)cc1 1862553282 JKLYSTWPCQOFAG-RUZDIDTESA-N 446.591 5.398 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2cccc3ccccc23)c1 1862561386 OZBZZMFNTCFJGG-RUZDIDTESA-N 440.543 5.723 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CC)cc1 1862587323 OPLNYOSQXOWBOT-HXUWFJFHSA-N 448.346 5.771 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(O)c(O)c1 1862652957 NFRJVYIPEZPPKF-HSZRJFAPSA-N 431.488 5.020 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2cccc(F)c2)cc1 1862686946 DFINXDJMKFABRE-QMHKHESXSA-N 431.463 5.174 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862688638 XTBNQTBAJBIFEP-CJAUYULYSA-N 441.527 5.597 30 10 IKEE N#Cc1ccc(N2C(=O)C(Nc3ccccc3)=C(c3ccc(Cl)c(Cl)c3)C2=O)cc1 1862913481 PTFQJDXLWXMJBE-UHFFFAOYSA-N 434.282 5.262 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(Nc2ccccc2C#N)=C(c2ccccc2F)C1=O 1862916906 BLBMFXNFGBKBBI-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C)c(C)c2)=C(c2ccc(Cl)cc2)C1=O 1863166391 OEJGJCZHGFOUSG-UHFFFAOYSA-N 438.999 6.509 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(Cc3cccc(Cl)c3)C2=O)cc1C 1863260143 CFVBXUIZHOVIGL-UHFFFAOYSA-N 441.918 5.221 30 10 IKEE CCCCCCCCNC1=C(c2c[nH]c3ccccc23)C(=O)N([C@@H](C)c2ccccc2)C1=O 1863818962 FHIWAYGONZJNDR-FQEVSTJZSA-N 443.591 5.959 30 10 IKEE C=CCOc1ccccc1/C=C1\C(=O)N(c2ccc(Cl)c(Cl)c2)N=C1c1ccccc1 1865666563 MLUCWHIPURINCN-HKWRFOASSA-N 449.337 6.393 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)COc2cc(C)c(Cl)c(C)c2)c1 1865928380 GKMKINABBIRZJO-UHFFFAOYSA-N 432.907 5.385 30 10 IKEE N#Cc1ccc(NC(=O)[C@@H](NC(=O)[C@@H](c2ccc(Cl)cc2)C2CC2)c2ccccc2)cc1 1867001691 NLENTRQRROADTA-RPWUZVMVSA-N 443.934 5.201 30 10 IKEE CCCCCCC(=O)Nc1c(C#N)nnn1-c1ccc(-c2nc3ccc(C)cc3s2)cc1 1870158202 WEWDJLMVBPQFIP-UHFFFAOYSA-N 444.564 5.633 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2c(C)cccc2C)cn1Cc1cccc(C)c1 1870488855 WBUFQZDJHIHZLO-UHFFFAOYSA-N 442.603 5.575 30 10 IKEE C=CCOc1cn(Cc2ccc(C)cc2)c(CNc2ccc(N(CC)CC)cc2)cc1=O 1870813992 OVIFTIAKHJSVQF-UHFFFAOYSA-N 431.580 5.228 30 10 IKEE C=CCn1cc(OCCCOc2ccccc2)c(=O)cc1CNc1cccc(C(C)(C)C)c1 1871085413 RRWLASWMGMDJGB-UHFFFAOYSA-N 446.591 5.792 30 10 IKEE CCCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(OC)cc1 1871252513 FKJJPKBRDZEVCX-UHFFFAOYSA-N 445.563 5.500 30 10 IKEE CCCCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CNc1cccc(C)c1 1871255872 SITJJUGIAWXJGK-UHFFFAOYSA-N 440.672 7.334 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1c(F)cccc1Cl)O3)CN(CCc1ccccc1)CO2 1871344286 BSIBHBTZKXJKRB-QRVIBDJDSA-N 449.909 5.798 30 10 IKEE Cc1c(OC(=O)COc2ccccc2)ccc2c1O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 1871364789 SVQZCVGSTQDZBD-JLPGSUDCSA-N 442.511 5.893 30 10 IKEE Cc1c(OC(=O)c2ccc(/C=C/C(=O)O)cc2)ccc2c1O/C(=C\c1ccccc1F)C2=O 1871382243 OZJIMKXNCJXZPO-TXTIWSOFSA-N 444.414 5.067 30 10 IKEE Cc1c(O[C@@H](C)C(=O)OC(C)C)ccc2c1O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 1871400900 OFEMXEPLIQTQRE-GJUHEBOISA-N 435.303 5.637 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)c1 1871410761 BPECHEXRLOMYBL-GHRPQRKGSA-N 431.463 5.465 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OCCOc3ccc(C(C)(C)C)cc3)ccc2C1=O 1871414796 PLURALZBQWOEFK-ONUIUJJFSA-N 428.528 6.367 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3cc(OCC(=O)NCc4ccccc4)ccc3C2=O)cc1 1871419197 DDGJSIYAEIXXJX-QFEZKATASA-N 427.500 5.121 30 10 IKEE COc1ccc(C)cc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(C)cc1)C2=O 1871428785 SMBVMMXUAHPHGB-CFRMEGHHSA-N 443.499 5.254 30 10 IKEE Cc1cc(OCC(=O)NC2CCCCC2)cc2c1C(=O)/C(=C/c1c(F)cccc1Cl)O2 1871438228 RFDYZTOXTCXUKF-MTJSOVHGSA-N 443.902 5.231 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc(OCC(=O)Nc3c(F)cccc3F)c2C)C1=O 1871440969 QBBQHJKCSQYMFQ-ZDLGFXPLSA-N 441.455 5.277 30 10 IKEE CCc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871454020 DXSARVYJLPJMGY-QRVIBDJDSA-N 447.918 5.845 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)c1 1871454135 IPRMGDOXNWGWCR-AJRXITOCSA-N 425.484 5.493 30 10 IKEE Cc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1C 1872762868 YMCXYFTWAXKQFN-KRWDZBQOSA-N 431.344 5.989 30 10 IKEE N#C[C@@H](C(=O)Cc1cccc2ccccc12)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872774327 NWRWMNANSKNLGZ-FQEVSTJZSA-N 426.497 5.153 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccc(Cl)cc3)n2)c(C)c1C 1872778895 WYVAFVOQNWHLMR-HNAYVOBHSA-N 440.952 5.733 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@@H](C#N)C(=O)c2ccc(-n3cccc3)cc2)n1 1872780183 BWPJAWBHWVUGIX-NRFANRHFSA-N 427.529 5.716 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc(COc2cc(C)ccc2C(C)(C)C)cc1 1872856154 HIXBJRGOGKFZCA-UHFFFAOYSA-N 437.668 7.742 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2C)C(=O)N(CCc2ccc(OC)cc2)C1=O 1873104284 SILMIMALQHLNIS-UHFFFAOYSA-N 448.607 5.276 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H]2CCCC[C@H]2C)=C(c2ccccc2OC)C1=O 1873153260 XXUGYOMVUKVCEK-TZIWHRDSSA-N 426.601 5.304 30 10 IKEE C=CCn1c(C(=O)Nc2cc(C)cc(C)c2)cc2c(NCc3ccc(C)cc3)ncnc21 1873641946 UWLJCAQZQIMBGC-UHFFFAOYSA-N 425.536 5.407 30 10 IKEE C=CCn1c(C(=O)Nc2cc(Cl)cc(Cl)c2)cc2c(N3CCC(C)CC3)ncnc21 1873644516 VAXIBKOJAUUTOT-UHFFFAOYSA-N 444.366 5.413 30 10 IKEE CSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc(C(F)(F)F)cc1 1874233664 VMLUWWINILBEEO-JFLMPSFJSA-N 440.494 5.839 30 10 IKEE C=C(C)CSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1ccc(OC)cc1 1874246173 QKRUWMPJWWIUHE-PCLIKHOPSA-N 436.581 5.157 30 10 IKEE CCCc1ccc(OCc2nnc(SCCc3ccccc3)n2/N=C/c2ccco2)cc1 1874258221 QBGWDHLGFLUFPX-NLRVBDNBSA-N 446.576 5.620 30 10 IKEE Fc1cccc(CSc2nnc(Cc3ccc(Cl)cc3)n2/N=C/c2cccs2)c1 1874336372 KKEAUNVVRHZEPP-ZMOGYAJESA-N 442.972 5.897 30 10 IKEE CCCSc1nnc(Cc2ccc(OC)cc2)n1/N=C/c1cccc(Br)c1 1874352009 NCXRDJFUULNJMH-HYARGMPZSA-N 445.386 5.024 30 10 IKEE Cc1ccc(/C=N/n2c(Cc3ccc(C)cc3)nnc2SCc2cccc(Cl)c2)cc1 1874390811 GXXRQRXGEAOHHD-JVWAILMASA-N 447.007 6.314 30 10 IKEE CCCNC(=O)CSc1nnc(CC2CCCCC2)n1/N=C/c1cccc2ccccc12 1874407237 MHIHOVIZDVOQSD-WPWMEQJKSA-N 449.624 5.055 30 10 IKEE COc1ccccc1/C=N/n1c(Cc2cccs2)nnc1SCc1ccccc1F 1874412601 RCDUBORTLNEQIP-ZVHZXABRSA-N 438.553 5.253 30 10 IKEE CSc1nnc(CC(C)(C)C)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1874435546 MBKXKBVJPXYZBZ-ZVHZXABRSA-N 428.989 5.703 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc3ccccc23)n1/N=C/c1cccc(F)c1 1874440140 LCTGIJNJUIMJNC-JVWAILMASA-N 432.568 6.334 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CCCC2)cc1 1874456120 BGJKPSIPWDUFRW-WGOQTCKBSA-N 428.561 5.969 30 10 IKEE CN(C)c1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C(C)(C)C)cc1 1874486157 DQXFAYGKHFBANO-DHRITJCHSA-N 445.995 5.609 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1/N=C/c1ccc(Cl)cc1 1874505087 PYDGIVGHBXHCIR-ZMOGYAJESA-N 441.988 5.114 30 10 IKEE CCCc1nnc(SCC)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 1874506855 YIQGSWUULAIDFM-ZVHZXABRSA-N 444.988 5.466 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2ccc(Cl)cc2)cc1OC 1874572751 CTMFDJNGKVNOFM-UKTHLTGXSA-N 438.907 5.841 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)N[C@H](C)c2ccccc2)cc1 1874579823 KNWNKZNPKRYLAD-BKBDBRRMSA-N 443.543 5.628 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)c(C)c1C 1874586483 PORQSICTXTUURK-FYWRMAATSA-N 440.514 7.079 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccccc2OCc2c(Cl)cccc2Cl)c(C)c1 1874589836 FOEARIWANHZZLL-VAWYXSNFSA-N 425.355 7.394 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)ccc1OCC(=O)Nc1ccc(F)cc1 1874605455 POEYVHQFEZRRMR-NTUHNPAUSA-N 449.478 5.147 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1c(F)cccc1Cl 1874610129 CGVXAOFNGNKJQG-VZUCSPMQSA-N 441.842 5.871 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)c(Cl)c1 1874610334 NAHSMGNUIXISKJ-QIXNEVBVSA-N 449.934 5.501 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(OC)c1OCc1cccc(Cl)c1 1874611181 APISPVZEWNZAIF-RMKNXTFCSA-N 444.861 6.111 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(C)C 1874663573 QBMZYHQSYANTAJ-DEOSSOPVSA-N 427.633 5.498 30 10 IKEE O=C(COc1ccccc1)Oc1cccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c1 1874693100 NCWSZHQDSYWQNZ-XMHGGMMESA-N 434.491 6.234 30 10 IKEE COc1cc(C(=O)/C=C/c2cccc(OC(=O)c3cccc(F)c3)c2)c(OC)cc1Cl 1874712236 UVYJVOTYBYXXLJ-MDZDMXLPSA-N 440.854 5.612 30 10 IKEE CCCCC1CCC(C(=O)Oc2cc(/C=C/C(=O)c3ccc(C)c(C)c3)ccc2OC)CC1 1874713769 NCGIXZYVZUYJKE-LFIBNONCSA-N 448.603 7.110 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OC(=O)C(C)(C)C 1874713861 RKWZAWGICINNOF-MDZDMXLPSA-N 445.353 5.922 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2cccc(OC)c2)CSc2nnc(CC(C)C)n21 1874891165 WNDOIOMJRLZHNU-NRFANRHFSA-N 444.645 5.547 30 10 IKEE CN(C)c1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1 1875080789 SUQACIYLSZXQRB-UFFVCSGVSA-N 447.534 6.535 30 10 IKEE C[C@@H](C(=O)Oc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1Cl)c1ccccc1 1875096463 PFJOVEQEOIBORG-FERCGXDMSA-N 440.926 7.098 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1 1875096813 GJTLYVFIKWMXCO-LDADJPATSA-N 440.539 6.008 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)cc2Cl)c1 1875097609 UGEHGCVXCKZHKP-UKTHLTGXSA-N 446.930 6.343 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccs2)c(Cl)c1)c1cccc(Br)c1 1875114808 WSCKMDKUXJTYKO-SOFGYWHQSA-N 447.737 6.279 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2)c(C)c1 1875117261 LQAYQGQGBSJZGS-AWNIVKPZSA-N 431.444 5.092 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)c1ccc(OC)cc1 1875134337 XNOXMPMWUXCFDB-VGOFMYFVSA-N 430.500 5.826 30 10 IKEE CC(C)C(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1Br 1875135479 RULFANBIBIBHQS-XVNBXDOJSA-N 442.136 6.213 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])CC1 1875135782 HOMMPFADAUUBLG-MHWRWJLKSA-N 449.547 6.701 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 1875148385 CQDUOVCBTADGKN-UDWIEESQSA-N 440.583 6.981 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)Cc1ccccc1 1875170185 LAMONMIKRAWTCH-WYMLVPIESA-N 442.555 6.363 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)C(F)(F)F)c([N+](=O)[O-])c2)c2ccccc12 1875192744 ZOIXKCJYAOUQAI-RMKNXTFCSA-N 445.349 5.120 30 10 IKEE N#C[C@@]1([C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCC12CCC2 1875635935 YLXGVGMGFDTIPT-LMSSTIIKSA-N 439.555 6.352 30 10 IKEE C[C@H]1CC=C(C(=O)[C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CC1 1875650664 JAVWCPWAKASOGQ-LGGPFLRQSA-N 442.555 6.194 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1nc(CNC(=O)OC(C)(C)C)sc1C 1922068400 IILPTTZCXIVGFS-OAQYLSRUSA-N 445.629 5.290 30 10 IKEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@H](C#N)c1c(Cl)cccc1Br 1946073912 NNUOTJYXIZUWMW-LLVKDONJSA-N 427.648 5.467 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)[C@@H]2C[C@@H]21 2008448529 LNXLHLHJACBEFD-KFCXZAFISA-N 447.963 5.373 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@]2(C)CCCN2C(=O)OC(C)(C)C)c1 2020803273 SPLPFXCDOUTWPB-DVECYGJZSA-N 429.561 5.418 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)cc1Br)NCC 2028184803 PUYHSJGCZMYSCJ-DLBZAZTESA-N 431.802 5.093 30 10 IKEE CCCCCCCCCCCC[C@@H](N)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2034430814 KIDRKNXLYOGFKY-JWQCQUIFSA-N 448.692 6.735 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CCC2 2037014685 DNUYNHRJTPHRKS-DXBVXKBHSA-N 442.644 5.697 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)[C@@H]2CC[C@H]21 2057585619 MFJXEFILCOAWNU-BUKPSGGLSA-N 445.535 5.249 30 10 IKEE C=C1CC(C[C@@H](CC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)NCC)C1 2061669623 XIJZMJWTKSBSMJ-DEOSSOPVSA-N 441.660 5.270 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)[C@@H]1C1CC1 2067982000 ZBSDMGSVGSJPFS-CYFREDJKSA-N 445.535 5.249 30 10 IKEE CC(C)c1nn(Cc2cccc(C(F)(F)F)c2F)c(C(F)(F)F)c1Br 2079039557 CXQQKZVRFLTUQI-UHFFFAOYSA-N 433.165 5.994 30 10 IKEE CC[C@@H](c1c(C)cc(C)cc1C)n1nc(C(F)(F)F)c(C#N)c1I 2079849153 SPZKVWCTTFNAJM-ZDUSSCGKSA-N 447.242 5.303 30 10 IKEE N#C[C@H](C(=O)CSc1ccccc1)c1nc(-c2ccccc2)c(-c2ccccc2)s1 2084273032 OIQNUEKECGDVOF-OAQYLSRUSA-N 426.566 6.446 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCCN(C(C)(C)C)C1 2158640850 PRFPCUOEOVRMCJ-NRFANRHFSA-N 436.394 5.347 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](CNc2ccc(Br)cc2C#N)C(F)(F)CC1 2162283656 DCTKXGKCSJCJFI-CQSZACIVSA-N 444.320 5.015 30 10 IKEE N#Cc1c(F)cc(Br)cc1NCCc1cccc(OCc2ccccc2)c1 2163689298 DERGCBKNOXLJEL-UHFFFAOYSA-N 425.301 5.693 30 10 IKEE C[C@@H](Nc1ccc(Br)c(C#N)c1)c1ccc(CNC(=O)OC(C)(C)C)cc1 2187551322 KNRPLXKYCKBLHR-CQSZACIVSA-N 430.346 5.519 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCNC2(CCCC2)C1 2194578366 FBDUOSRDDNMVFQ-OAQYLSRUSA-N 434.378 5.149 30 10 IKEE C=C(c1ccccc1)[C@@H](NCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2197156645 YKTJISQEYHQGSV-HXUWFJFHSA-N 431.374 6.160 30 10 IKEE COc1cc(C)cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)c1 2201258122 URPYVIPFGCVWKX-LJQANCHMSA-N 431.330 5.773 30 10 IKEE CCCCCCCC[C@](C)(CN)N(CCCNC(=O)OC(C)(C)C)Cc1ccccc1 2217260713 BZHLSOSJEOUOGK-AREMUKBSSA-N 433.681 5.871 30 10 IKEE C#CCN(C[C@@H](NCCC)c1ccc(Br)cc1Cl)C(=O)OC(C)(C)C 2222751155 ISTQEJPWOBOIOB-QGZVFWFLSA-N 429.786 5.014 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)CC[C@@H](C)CNC(=O)OC(C)(C)C 2235747874 UHHJPPUEXRKHRZ-IEBWSBKVSA-N 437.422 5.110 30 10 IKEE C=CCC[C@@H](C)[C@@H](NCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237400226 NIRZCQBEHCPKPG-NSISKUIASA-N 439.438 5.465 30 10 IKEE C=C1CCC(C[C@H](N)[C@H](Cc2ccccc2Br)NC(=O)OC(C)(C)C)CC1 2237426230 DGINILOYYCHEKC-PMACEKPBSA-N 437.422 5.349 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCC)c2cccc(Cl)c2Br)C1 2259407994 IVKKNKAUKXKRJC-MRXNPFEDSA-N 429.786 5.367 30 10 IKEE C=C(COCc1ccccc1)[C@](C)(OCCCN)c1ccc(OCc2ccccc2)cc1 2262619074 JFAHPPSXBZVIIS-NDEPHWFRSA-N 431.576 5.619 30 10 IKEE CC(C)(C)OC(=O)NCc1c(Cl)cccc1Nc1ccc(C#N)c(Br)c1 2268618080 ONLIDUYZKJPHIQ-UHFFFAOYSA-N 436.737 5.742 30 10 IKEE C=CCC1(COc2cccc(Br)c2N)CCN(C(=O)OC(C)(C)C)CC1 2272143328 JNIPEQPXXVNSQA-UHFFFAOYSA-N 425.367 5.004 30 10 IKEE CC(C)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N(Cc2ccccc2)[C@H](C)C2CC2)c1 2282654367 JWKUKIISWZSSGX-HXUWFJFHSA-N 447.428 5.550 30 10 IKEE C=C(C)CCCC[C@@H](NC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2287381133 WBWZLDVCWUHXEN-WOJBJXKFSA-N 439.438 5.609 30 10 IKEE COc1cccc(C=C2SC(=Nc3ccccc3)N(Cc3ccc(C(=O)O)cc3)C2=O)c1 2293823874 QMVYJJUAUVALBU-UHFFFAOYSA-N 444.512 5.198 30 10 IKEE COc1ccc(C=C(C(=O)c2cc(OC)c(OC)c(OC)c2)c2nc3ccccc3o2)cc1 2296696687 NAAZRSQSGGMPNQ-UHFFFAOYSA-N 445.471 5.286 30 10 IKEE CCN1C(=O)C(=C2C=Cc3ccccc3N2CC)SC1=Nc1ccc2sc(C)nc2c1 2296738299 AKHOKHGINBMDAY-UHFFFAOYSA-N 446.601 5.952 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=CC1=Cc3ccccc3OC1)C2=O)c1ccccc1Cl 2296844749 CCNZNRUGWYXXLW-UHFFFAOYSA-N 430.843 5.494 30 10 IKEE O=C(C=CN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(Cl)c(Cl)c1 2297533865 USSVJJXWWABDLJ-UHFFFAOYSA-N 429.269 5.531 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(OCc3ccc(F)cc3)c(OCC)c2)SC1=S 2313507533 RUOMFRRPCVAZIP-UHFFFAOYSA-N 429.538 5.191 30 10 IKEE Cc1cc(-c2ccc(C=CC(=O)n3cc(C#N)c4ccccc43)o2)ccc1Br 2314013930 GLYQYBGLDOEMPQ-UHFFFAOYSA-N 431.289 6.198 30 10 IKEE COc1cccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(-c4ccccc4)cc3)c2)c1 2314429248 CACPBOCBLCAWJD-UHFFFAOYSA-N 434.491 6.478 30 10 IKEE C=CCOc1ccccc1C=C1SC(=Nc2nccs2)N(C2CCCCC2)C1=O 2314541896 DIDSIXXXECXMRC-UHFFFAOYSA-N 425.579 5.645 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OCc4ccccc4C)cc(C)c3C2=O)cc1 2321742622 NTKHWRBLYNWBQA-UHFFFAOYSA-N 427.544 6.345 30 10 IKEE Sc1nnc(Cc2cccs2)n1N=Cc1ccc(OCc2cccc(Cl)c2)cc1 2321884425 AXYIFKWDOIQCSS-UHFFFAOYSA-N 440.981 5.334 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccccc1)O3)CN(CCc1ccc(Cl)cc1)CO2 2321935437 JVBXPKVQRBAUEJ-UHFFFAOYSA-N 431.919 5.659 30 10 IKEE Cc1ccc(CCc2nnc(S)n2N=Cc2ccccc2OCc2ccccc2)cc1C 2322044906 VGVLQTJBSKAVKD-UHFFFAOYSA-N 442.588 5.430 30 10 IKEE CCCCCOc1ccc(C=Nn2c(S)nnc2CCc2ccccc2Cl)cc1 2322119814 GCJQQTIMSNKBRV-UHFFFAOYSA-N 428.989 5.457 30 10 IKEE COc1ccc([C@@H](C)N2COc3ccc4c(c3C2)OC(=Cc2ccccc2Cl)C4=O)cc1 2322238743 FADVNRIKTFAHDZ-MRXNPFEDSA-N 447.918 5.878 30 10 IKEE CCOc1ccccc1C=C1Oc2c(cc3c(c2C)OCN(Cc2ccccc2F)C3)C1=O 2322350382 XIQDVUIACQMYQM-UHFFFAOYSA-N 445.490 5.501 30 10 IKEE C=CCOc1c(C=CC(=O)c2cc(C)c(OC)cc2C)cc(Br)cc1OC 2322997480 FGAKUDYLGNWZCP-UHFFFAOYSA-N 431.326 5.544 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1cc(C)c2c(c1)OC(=Cc1cccc(F)c1)C2=O 2323176548 KOMUTDAYSBRUAW-UHFFFAOYSA-N 446.474 5.823 30 10 IKEE Cc1cc(OC(=O)c2c(F)cccc2Cl)cc2c1C(=O)C(=Cc1cccc(Cl)c1)O2 2323353482 IGEYJKQDDSXACX-UHFFFAOYSA-N 443.257 6.276 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCc3cccc(F)c3)c(Br)c2)cc1 2323466079 KAJNWWITMBRXHC-UHFFFAOYSA-N 439.324 6.626 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3c(F)cccc3Cl)c(OC)c2)cc1C 2323580289 TUZSCUCXZYJKMI-UHFFFAOYSA-N 440.898 6.280 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)cc3C)c(OC)c2)cc1 2323647702 KDRSZDYUIKDBJO-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OC(=O)c4ccc(OC(C)C)cc4)c3C)C2=O)c1 2323813935 RKSWXEXMWIQBOE-UHFFFAOYSA-N 428.484 5.926 30 10 IKEE Cc1ccc(-c2csc(NN=Cc3ccc(OC(C)C)c(Br)c3)n2)c(C)c1 2323843944 AHYIDJFKTHMQKQ-UHFFFAOYSA-N 444.398 6.423 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c([N+](=O)[O-])c2)ccc1F 2323974950 WCUGMLKRUMLMCM-UHFFFAOYSA-N 436.395 5.426 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cc(Cl)c(OCc3ccccc3)c(OC)c2)c1 2324011971 PZQAQEWEJHLFKS-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE Cc1ccc(C)c(COc2ccc(C=CC(=O)c3ccc(F)cc3)cc2Br)c1 2324187037 DRIKGAZTEZKGSR-UHFFFAOYSA-N 439.324 6.680 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Cl)c1OCC(=O)OCC(C)C 2324234723 FBPSDPLDFHBWMB-UHFFFAOYSA-N 438.854 5.101 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccc(OCc2cccc(Cl)c2)cc1 2324319280 IADSNZAQOGLACC-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE Cc1ccccc1C=C1Oc2cc(O[C@H](C)C(=O)Nc3ccccc3Cl)ccc2C1=O 2324388965 SPNYJHCHEAJVSB-MRXNPFEDSA-N 433.891 5.671 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OCc4ccc(C(=O)OC(C)C)cc4)c3C)C2=O)c1 2324608463 VEBGRZOPTFMQMI-UHFFFAOYSA-N 442.511 6.064 30 10 IKEE Cc1cc(OCCOc2cccc3ccccc23)cc2c1C(=O)C(=Cc1cccs1)O2 2324693892 WBEPKXLSEIYQPX-UHFFFAOYSA-N 428.509 6.284 30 10 IKEE O=C1C(=Cc2cccc([N+](=O)[O-])c2)Oc2cc(OC(c3ccccc3)c3ccccc3)ccc21 2325215843 RTCZDKWPNMAGFZ-UHFFFAOYSA-N 449.462 6.379 30 10 IKEE Oc1cccc(C=Nn2c(CCc3ccccc3)nnc2SCc2cccc(F)c2)c1 2325443981 MLDGBQRVDCFSJC-UHFFFAOYSA-N 432.524 5.083 30 10 IKEE Fc1ccccc1C=Nn1c(Cc2ccccc2)nnc1SCc1cccc(Cl)c1 2325494725 SAHNBKHTBGWABC-UHFFFAOYSA-N 436.943 5.836 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1OC(=O)c1cncc(C)c1 2325701276 AGMTYLPITSSNDV-UHFFFAOYSA-N 427.500 5.393 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(F)cc2)ccc2c1OC(=Cc1cccc(Cl)c1)C2=O 2325728489 IVRPHJBCDYQDPF-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1C 2325739008 UUMTZGMNHDOOFG-UHFFFAOYSA-N 439.511 5.802 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cccc(OC(=O)CSc2ccccc2)c1 2325757868 UOUFFLWRCZQVJO-UHFFFAOYSA-N 432.541 5.906 30 10 IKEE C=C(C)CSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1cccc(C)c1 2325912400 JZFCCNNAPWKZBO-UHFFFAOYSA-N 447.391 6.023 30 10 IKEE CCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccc(CC)cc1 2326058152 AUSNCHWERGBGFX-UHFFFAOYSA-N 428.989 5.500 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1N=Cc1cc(Cl)c(OC)c(Cl)c1 2326382444 ZXMDNTNPFFQVKL-UHFFFAOYSA-N 449.407 6.029 30 10 IKEE CCCCCOc1ccc(C=Nn2c(C)nnc2SCc2ccc(C#N)cc2)cc1OC 2326660735 VECOQSPBZVRHPH-UHFFFAOYSA-N 449.580 5.210 30 10 IKEE Cc1ccccc1CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccco1 2326883570 AFJPAMAXQQFZEX-UHFFFAOYSA-N 446.620 6.113 30 10 IKEE CCCOc1ccc(C=Nn2c(COc3ccc(Cl)cc3)nnc2SCCC)cc1 2327571116 PKUMQEJRDLZLNX-UHFFFAOYSA-N 444.988 5.684 30 10 IKEE O=[N+]([O-])c1ccccc1Cc1nnc(SCc2ccccc2)n1N=Cc1cccc(F)c1 2328486164 PTGBTLNSCHSMDX-UHFFFAOYSA-N 447.495 5.091 30 10 IKEE COC(=O)c1ccc(CSc2nnc(CC3CCCCC3)n2N=Cc2cccs2)o1 2330268295 USKWUUFSMRAGPL-UHFFFAOYSA-N 444.582 5.017 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3Cl)c(OC)c2)cc1 2330770013 SHPHBYATNVRJLM-UHFFFAOYSA-N 434.919 5.955 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCCC3)n2N=Cc2ccc([N+](=O)[O-])cc2)c1 2331071824 OBTWBKCRWOHOBQ-UHFFFAOYSA-N 435.553 5.635 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)c1cccc(OC)c1 2331077672 VHCLKOMGWXUTBL-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)cc1)c1ccc(F)cc1F 2331084370 KGRMLJNECJISGA-LEWJYISDSA-N 438.857 6.223 30 10 IKEE Cc1cc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3F)cc2Cl)ccc1F 2331087294 XPUAIFQZPWVMAS-UHFFFAOYSA-N 444.836 6.110 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc([N+](=O)[O-])c1OC(=O)Cc1ccc(C)cc1 2331174159 DCVMSIRZZLZVFM-UHFFFAOYSA-N 445.471 5.346 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)c(C)c3)c(OC)c2)cc1 2331211356 PNSZOGNXFBLOBG-UHFFFAOYSA-N 448.490 5.586 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)c1cc2ccccc2n1C 2331237006 RSEWLDIRNGBOAZ-UHFFFAOYSA-N 439.511 5.919 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)c(F)c3F)c(Cl)c2)c1 2331320220 LYGXIAMNMGEZHD-UHFFFAOYSA-N 444.836 6.489 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1c(F)cccc1Cl 2331349284 HEVRXFPBVUPPPW-UHFFFAOYSA-N 442.845 6.051 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(C)c(C)c2)c([N+](=O)[O-])c1 2331362946 XCMCECWXCMOPGS-UHFFFAOYSA-N 445.471 5.644 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC(=O)Cc1ccc(C)cc1 2331376498 KFGJSGXROUVJKZ-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1Br 2331439895 BGOGVDZSBVSNNI-UHFFFAOYSA-N 431.282 5.170 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cccc4ccccc34)cc2OC)cc1 2331488784 YMNHTDHGXYJCQH-UHFFFAOYSA-N 436.507 6.526 30 10 IKEE COc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccc(F)cc2)cc1Cl 2331522879 LNYUYDGFIUSWAD-UHFFFAOYSA-N 440.854 5.368 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)CCc1ccc(OC)cc1 2331535259 AXTMGXJZXHXPRC-UHFFFAOYSA-N 448.490 5.667 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)C=Cc2ccccc2Cl)n(-c2ccc(C)cc2)n1 2331660115 HVBKGQQCDHVPMY-UHFFFAOYSA-N 433.943 5.059 30 10 IKEE CCC[C@@H](CNC(=O)OC(C)(C)C)COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339597500 YBUQWYJLEMFSMW-IBGZPJMESA-N 446.397 5.046 30 10 IKEE COc1cc(/C=C2/Oc3cc(OCc4ccccc4C)ccc3C2=O)cc(OC)c1OC 2098846 XOYQHHBRTNBRKN-SSDVNMTOSA-N 432.472 5.216 30 10 IKEE CC(=O)Oc1ccc(Br)c(/C=C2/N=C(SCc3ccccc3)SC2=O)c1 2834279 WJOHGQVRNTZRNN-LICLKQGHSA-N 448.363 5.278 30 10 IKEE Cc1ccc2oc(-c3ccc(/N=C/c4ccc(-c5ccc(Cl)cc5)o4)cc3O)nc2c1 3657365 VBLWHEDDRZEVTC-MZJWZYIUSA-N 428.875 7.173 30 10 IKEE C=CCn1c(S[C@H](C)c2nc(C(C)C)no2)nc2sc(-c3ccccc3)cc2c1=O 27777518 OCQCVAIUNWKGKN-CQSZACIVSA-N 438.578 5.671 30 10 IKEE COC(=O)c1ccc([C@@H]2C3=C(C[C@H](c4ccc(Cl)cc4)CC3=O)Nc3onc(C)c32)cc1 28052308 DMOJYYSNYXAHLQ-JTSKRJEESA-N 448.906 5.381 30 10 IKEE C=C[C@@](C)(O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1 36308767 WSHKUHMMUVGEAG-RUZDIDTESA-N 439.987 5.775 30 10 IKEE C=CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCCC)cc1OC 38609124 VQYGZQOUGLMLIG-QHCPKHFHSA-N 433.504 5.102 30 10 IKEE CC[C@@H](Sc1nnc2ccc3ccccc3n12)C(=O)Nc1sc2c(c1C#N)CCCC2 40169869 LKYPXLZEZDEQLM-GOSISDBHSA-N 447.589 5.204 30 10 IKEE C=CCc1ccccc1OCCn1c(CCCCCNC(=O)C2CC2)nc2ccccc21 40212261 WHKHNZJVLDIWRD-UHFFFAOYSA-N 431.580 5.083 30 10 IKEE C=C(C)C(=O)NCCCCCc1nc2ccccc2n1CCCCOc1cccc(OC)c1 40219841 CHVUXWLMZJXYSO-UHFFFAOYSA-N 449.595 5.309 30 10 IKEE Cc1cc(OCC(=O)OC(C)(C)C)cc2c1C(=O)/C(=C/c1ccc(-c3ccccc3)cc1)O2 41432392 SYQMDDLKHHNVHP-IWIPYMOSSA-N 442.511 5.999 30 10 IKEE Cc1ccccc1/C=C1\S/C(=N/N=C\C=C\c2ccccc2)N(Cc2ccco2)C1=O 47138763 CTUFJOPURQYXAN-NNSQPVGSSA-N 427.529 5.760 30 10 IKEE COc1ccc(OCc2ccccn2)c(/C=C\C(=O)c2cc(Cl)c(OC)cc2OC)c1 96134084 ZELSVHVZRCIGDC-CLFYSBASSA-N 439.895 5.236 30 10 IKEE CCOc1ccc(/C=C2/CS/C(=C/c3ccc(OCC)c(OC)c3)C2=O)cc1OC 96448688 IHNGRUIGEDESGY-VEZJUITCSA-N 426.534 5.242 30 10 IKEE CCCCCCCOc1cccc(NCC(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)c1 100090462 USLVINFQLOZOFZ-UHFFFAOYSA-N 439.600 5.615 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 100153934 GFGLTOMKSLSTFS-UHFFFAOYSA-N 449.960 5.724 30 10 IKEE CCCCCCCC(=O)NC(=S)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 100170522 ZQIBNCVKSOOECV-UHFFFAOYSA-N 425.623 6.445 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S/C1=N/c1ccncc1Cl 101127122 NZEXJASIGXVMLL-DZHGSHHNSA-N 440.868 5.137 30 10 IKEE COC(=O)C1=C(C)N(c2ccc(C)cc2)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O 101855457 KAHOQLSJMYOJGP-STZFKDTASA-N 444.443 5.040 30 10 IKEE O=C1/C(=C\c2ccc(-c3ccccc3)cc2)Oc2cc(OC/C=C\c3ccccc3)ccc21 102726163 QWISISPZCXFDHG-XUKYRHATSA-N 430.503 7.062 30 10 IKEE O=C1[C@H](Cc2cc(Cl)ccc2Cl)S/C(=N/c2ccccc2)N1c1ccccc1 102958257 ZJLGJHFZDDYDPB-FJEVEVAKSA-N 427.356 6.372 30 10 IKEE Cc1ccc(S(=O)(=O)/N=C(/c2ccc(Cl)cc2)[C@@H](C#N)c2nc3ccccc3[nH]2)cc1 105726842 WEDSNXWNOUSWQX-GFNNVWICSA-N 448.935 5.010 30 10 IKEE CSc1nnc(Cc2ccccc2)n1/N=C\c1cccc(OCc2ccc(Cl)cc2)c1 169916053 PMSNDRJVCUCSAV-QQXSKIMKSA-N 448.979 5.705 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2cc(F)ccc2F)c1 169971620 XBNBDWJXNMUNJP-QHCPKHFHSA-N 433.454 5.673 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@H]2c2cccs2)cc1 169987082 MHYFQBKLNHWZJY-FQEVSTJZSA-N 439.920 5.501 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]2c2ccccn2)cc1 169996380 DTHUZFBFWXEDFG-JOCHJYFZSA-N 432.907 5.389 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccncc1 170018915 AHEHSEQPLMVJMW-HXUWFJFHSA-N 439.298 5.480 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)c1 170047531 XWDNSMXEEPXMJS-JOCHJYFZSA-N 433.891 5.522 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(C(C)C)cc1 170067149 CEHNTEZUMOQISM-DEOSSOPVSA-N 445.515 5.499 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2sccc2C)cc1C 170106226 NKRCCQKOPUCAFH-FQEVSTJZSA-N 448.500 5.364 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2sccc2C)cc1C 170107987 OFNLQMRTBRZMBL-OAQYLSRUSA-N 435.520 5.591 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2ccc(F)cc2)c1 170140599 JITQJUSTBSXJEC-VWLOTQADSA-N 437.470 6.070 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2cccc(C)c2)c1 170140938 OIVHKJNGOLWZOR-SANMLTNESA-N 433.507 6.240 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccs2)cc1 170163907 QKOGRXHVQQTQME-NRFANRHFSA-N 425.550 5.446 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccccn1 170176292 JZQFMCQJSHGYEX-XMMPIXPASA-N 442.515 5.208 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2cccc3ccccc23)cc1 170221134 UPUVBFZIOURNMC-DEOSSOPVSA-N 429.516 5.617 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2)cc1C(C)C 170230328 LNRGANANFFJITC-XMMPIXPASA-N 445.515 5.580 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2)cc1C(C)C 170230425 ZTBZIGGIROWHIZ-QHCPKHFHSA-N 431.488 5.190 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1c[nH]c2ccccc12 170255962 QJNFVGUTAHRIEZ-DEOSSOPVSA-N 446.547 5.724 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 170266047 NFBRVMGDSMLZTN-ILBGXUMGSA-N 441.527 5.160 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccco2)c1 170279045 NZMCPTBIMOBMHV-JOCHJYFZSA-N 429.428 5.207 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2nc3cc(F)ccc3[nH]2)[C@@H]1c1ccc(C(C)(C)C)cc1 170472464 KDOPOKCNRIHXDR-JOCHJYFZSA-N 449.526 5.515 30 10 IKEE C(=Nc1cc2c3c(c1)[C@@H](c1ccccc1)CCN3CC[C@H]2c1ccccc1)c1ccccc1 252621909 NJYHHTCFAHCIPJ-HNRBIFIRSA-N 428.579 7.315 30 10 IKEE N#Cc1ccc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccc(C(=O)O)cc3)C2=O)cc1 252625627 QNZADJIHGAYPLV-NDMCFCFYSA-N 439.496 5.061 30 10 IKEE C[C@@H]1Sc2ccc(C(=O)N3CCCSC3=Nc3ccccc3Cl)cc2NC1=O 254404268 UZPXJLAXWIVHQM-LBPRGKRZSA-N 431.970 5.040 30 10 IKEE Cc1cccc2c1Oc1nn(-c3ccccc3)c(N=Cc3ccc(C(F)(F)F)cc3)c1C2 254593988 RUBBXXHQWUOKAU-UHFFFAOYSA-N 433.433 6.647 30 10 IKEE Cc1ccc([C@@H]2C(c3ccc(Cl)cc3Cl)=C(O)C(=O)N2c2ccc(C#N)cc2)o1 526489832 JQVOAGPHPMEILX-HXUWFJFHSA-N 425.271 5.824 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)c(Cl)c3)[C@H]2c2cccs2)cc1 526491137 SHNJINGZBVXQBR-LJQANCHMSA-N 427.312 5.984 30 10 IKEE COc1cc([C@H]2C(c3cccc4ccccc34)=C(O)C(=O)N2c2cccc(C#N)c2)ccc1O 526520289 LLNQJJDQCJWAAX-SANMLTNESA-N 448.478 5.483 30 10 IKEE Cc1ccc(NC2=C(Sc3ccccc3)C(=O)N(c3cccc(C#N)c3)C2=O)c(C)c1 526635808 AIQZYDLPGTXRFO-UHFFFAOYSA-N 425.513 5.164 30 10 IKEE CCCOc1cc(/C=N\n2c(CCC)nnc2SCc2ccc(F)cc2)ccc1OC 526803413 XZKGXXRQOUCXCM-MYYYXRDXSA-N 442.560 5.342 30 10 IKEE CCc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccc(Br)cc1 526816539 IJYIGSBSUFLGOL-NHDPSOOVSA-N 435.778 5.431 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccc(C(C)(C)C)cc1 526817174 VTHSEOUVJHMHRB-MYYYXRDXSA-N 427.017 6.356 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@](C#N)(N(C(=O)OC(C)(C)C)C3CCCCC3)CC[C@H]2C1 698355802 WJOFOYGWZKIQLL-CEYNDMKZSA-N 447.620 5.486 30 10 IKEE CCOc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)cc1 698441582 BHJFBXXFHXCUBO-LJQANCHMSA-N 431.330 5.854 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2cccc(OCc3ccccc3)c2)c1 698470786 VPUDAEWAOBBTON-VWLOTQADSA-N 428.532 6.580 30 10 IKEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@@](C)(C#N)c1cc(Br)ccc1F 698830106 SQFSAFIPXUMIHE-HNNXBMFYSA-N 425.220 5.126 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCN(C(=O)OC(C)(C)C)CC2)cc1 704046328 XORURILYXXQLPT-DEOSSOPVSA-N 445.560 5.120 30 10 IKEE CCOc1c(C=Nc2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cccc1OC 1083996520 JOMOAGWLIIOXIE-UHFFFAOYSA-N 434.561 6.037 30 10 IKEE CC(C)(C)c1ccc(/C=C2/S/C(=N/N=C/c3cccnc3)N(Cc3ccco3)C2=O)cc1 1615301018 DCKIBDZCKKJLPD-LYPPLLESSA-N 444.560 5.479 30 10 IKEE CCCCCCCCCCCCCCc1sc(NC(=O)CC)nc1-c1ccccc1 1615945256 ONVYEPXZOVGNLL-UHFFFAOYSA-N 428.686 8.402 30 10 IKEE CC(=C\c1ccccc1)/C=C1/SC(=Nc2cccnc2Cl)N(c2ccccc2)C1=O 1772732024 BUQOWYFZFGSFKK-JEQBBBNPSA-N 431.948 6.490 30 10 IKEE C/C(=C1\SC(=Nc2cccnc2Cl)N(C2CCCCC2)C1=O)c1cccc(N)c1 1772733111 KGBOWKIEHQSANX-SVKNRIHUSA-N 426.973 5.644 30 10 IKEE C=CCNC(=O)Oc1cccc2c(NC(=O)/C=C/c3cccc(OC(C)C)c3)cccc12 1858941062 KIOFJIAWXWFQQV-CCEZHUSRSA-N 430.504 5.553 30 10 IKEE CCCCCCCCCNC(=O)c1cc(-c2ccc(OC)cc2)n2nc3ccccc3c2n1 1860373080 IKHLOBNVMNKNMF-UHFFFAOYSA-N 444.579 6.039 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccc(Cl)c1 1861047050 GZLKVBDIIVUJEY-XMMPIXPASA-N 443.031 5.938 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)COc1ccc(Cl)cc1 1861728986 IQZSPQQRSHAZSP-OAQYLSRUSA-N 425.013 5.261 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](CSCc1ccccc1)NC(=O)c1cccc2ccccc12 1862237743 PQEODLZCZSIYBR-VWLOTQADSA-N 444.600 5.072 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862382581 DNXBNSYHEHUHGT-RNODOKPDSA-N 448.346 5.769 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2cccc(F)c2)cc1C 1862401800 KDERHZHTTVCXCC-NQKDMWHGSA-N 437.511 5.300 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@H]2c2ccccc2)cc1 1862413026 TXHVNLQHGCVSMX-HSZRJFAPSA-N 433.454 5.094 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(C(=O)O)cc1 1862433423 BHPHOYQLRVXZCW-HXUWFJFHSA-N 441.911 5.197 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2cccc(C)c2)cc1 1862475232 HGYGNLJMYOZWEO-RUZDIDTESA-N 425.528 5.515 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862488934 LTHGWUBCZXTJNZ-IBVKSMDESA-N 439.555 6.205 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(C(C)(C)C)cc2)=C(O)C(=O)N1Cc1cccs1 1862612776 AIHFEIKQENAXPL-QHCPKHFHSA-N 445.584 6.133 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(OC)cc1 1862618818 YZGYDQOBVFJAES-DEOSSOPVSA-N 449.591 6.151 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(Cl)cc2)cc1F 1862640379 HOUJGCHRCAHRJY-HXUWFJFHSA-N 429.875 5.009 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@@H]1c1ccccc1)c1cccc2ccccc12 1862648920 MOKFNCWYTNYQRF-HHHXNRCGSA-N 447.534 6.051 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 1862667995 OBXPIVBXSSPEBQ-HXUWFJFHSA-N 448.346 5.078 30 10 IKEE CCCOc1cccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(C)cc3)C2=O)c1 1862888563 UKCUQJVPJBOYRE-UHFFFAOYSA-N 437.499 5.052 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccccc3Cl)C2=O)c1 1863067435 NDZTXDMXXVRIQX-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE Cc1cc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(F)cc3Cl)C2=O)ccc1F 1863097961 KPRKNSPGZMPRIF-UHFFFAOYSA-N 449.844 5.195 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(F)ccc2F)=C(c2ccccc2F)C1=O 1863301073 OAROQECFPCOQQU-UHFFFAOYSA-N 430.470 5.656 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H](C)c2ccccc2)=C(c2ccc(OCC)cc2)C1=O 1863569243 MJTMKYIIYWHVOM-NRFANRHFSA-N 448.607 5.877 30 10 IKEE CCCCCCCCCCNC1=C(c2cc(C)ccc2C)C(=O)N(CCCCC)C1=O 1863737973 WXOXEURWUNUYFJ-UHFFFAOYSA-N 426.645 6.304 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2OC)C(=O)N(CCc2ccc(C)cc2)C1=O 1863765681 KIJNOJBSHSZBSE-UHFFFAOYSA-N 448.607 5.276 30 10 IKEE CCCC[C@H](NC(=O)C[C@@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866773470 BDXZVSXPPDMYEZ-RPWUZVMVSA-N 449.595 5.319 30 10 IKEE C=CCN(CC=C)c1cc(N(C)CC(C)(C)c2ccccc2)nc(-c2ccc(F)cc2)n1 1869277862 BDGNXWNRMUMNSR-UHFFFAOYSA-N 430.571 5.875 30 10 IKEE CCCCCCCCn1cc(OCc2cccc(Cl)c2)c(=O)cc1CN1CCOCC1 1870408711 IYSIJXCIMJJXQP-UHFFFAOYSA-N 447.019 5.273 30 10 IKEE CCCCCCCOc1cn(CC(C)C)c(CNc2cc(OC)cc(OC)c2)cc1=O 1870831980 LCDXKTYIAMVSND-UHFFFAOYSA-N 430.589 5.483 30 10 IKEE CCCCCCCOc1cn(CC(C)C)c(CNc2ccc(N3CCCC3)cc2)cc1=O 1870832561 ZNOBMWSYVGVYRT-UHFFFAOYSA-N 439.644 6.066 30 10 IKEE CCCCCCCOc1cn(CCCOC(C)C)c(CNc2ccc(C)c(C)c2)cc1=O 1870837361 BTFGIAOUYXIBLJ-UHFFFAOYSA-N 442.644 6.242 30 10 IKEE CCCCCCCCn1cc(OCCCCC)c(=O)cc1CNc1ccc(C)c(Cl)c1 1871130330 NDFCFPFGQZJVNQ-UHFFFAOYSA-N 447.063 7.352 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4Cl)cc(C)c3C2=O)c1 1871404521 MEDBCSMNTGWPKX-ICODJCHTSA-N 447.918 5.979 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(O[C@@H](C)C(=O)Nc3ccc(C)cc3C)ccc2C1=O 1871411707 PKSLQISBWRUXPX-BDFPJNNISA-N 443.499 5.334 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4c(C)cccc4CC)ccc3C2=O)cc1 1871424788 WNUGBRWGMVUJKZ-MYYYXRDXSA-N 441.527 5.754 30 10 IKEE COc1ccc(C)cc1NC(=O)CCOc1ccc2c(c1)O/C(=C\c1ccc(C)cc1)C2=O 1871446237 GLMKBESYADLSRR-MYYYXRDXSA-N 443.499 5.336 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Cl)c(C)c1)c1ccccc1)S(=O)(=O)CCCC 1872304314 ABKRYIINBCHYGT-JOCHJYFZSA-N 449.016 5.336 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccccc1CC)[C@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1872493651 GYGIELBTFVVPAL-VGSWGCGISA-N 449.016 5.133 30 10 IKEE CC(C)COc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 1872762257 HKOQJIGPDKTAKG-SFHVURJKSA-N 445.371 6.642 30 10 IKEE COc1ccc(OC)c(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1 1872769820 YNRNTCFTONTYJM-HNNXBMFYSA-N 447.343 5.553 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccccc3C(C)C)n2)c1C 1872778185 FYWJROXXILMKKF-IFMALSPDSA-N 446.616 6.811 30 10 IKEE CCCOc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)cc1 1872778295 IKTYARBYALIVCP-NRFANRHFSA-N 434.561 5.643 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCCCC)=C(c2cc(F)cc(F)c2)C1=O 1873112505 VXYLWRKBEUGHNA-UHFFFAOYSA-N 448.598 6.355 30 10 IKEE CCCCCCCCNC1=C(c2cc(C)ccc2C)C(=O)N(CCC2=CCCCC2)C1=O 1873150815 MMEBGCOBSOASCH-UHFFFAOYSA-N 436.640 6.224 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(C)ccc2OC(C)C)=C(c2ccccc2)C1=O 1873414063 ULYGFPDHAPANHO-UHFFFAOYSA-N 448.607 6.335 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](C(C)C)CC1 1873885978 BSNNDQFAIXWXKV-UBFVSLLYSA-N 428.661 5.653 30 10 IKEE CCCCCCCCCCNC(=O)CC[C@H]1NC(=O)N(c2ccc(C(C)C)cc2)C1=O 1873936771 QNLRKDRHKHTSAM-JOCHJYFZSA-N 429.605 5.272 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1ccccc1O 1874205168 MIDPGMAFUOTGFV-SSDVNMTOSA-N 435.336 5.030 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1cccc(C)c1 1874230704 XZUOQXVAZHIJRB-WYMPLXKRSA-N 426.973 5.678 30 10 IKEE Cc1ccccc1CSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccco1 1874253059 IYSUNPRPFIOQPS-VULFUBBASA-N 446.576 5.858 30 10 IKEE Cc1cccc(/C=N/n2c(COc3ccc(Cl)cc3)nnc2SCc2ccccc2)c1 1874265208 MRZADLCTDGTQHL-CVKSISIWSA-N 448.979 5.993 30 10 IKEE CCSc1nnc(COc2ccccc2OC)n1/N=C/c1ccc(Cl)cc1Cl 1874289105 YZZWOTWDDIBXIH-SSDVNMTOSA-N 437.352 5.167 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OCC)cc2)n1/N=C/c1cccc2ccccc12 1874303701 NMSKKKNHXWDUPS-WPWMEQJKSA-N 442.588 5.971 30 10 IKEE Cn1cccc1/C=N/n1c(Cc2ccc(Cl)cc2)nnc1SCCc1ccccc1 1874342908 OXZJNRVCCLOUAZ-KOEQRZSOSA-N 435.984 5.078 30 10 IKEE Cc1ccc(CSc2nnc(COCc3ccccc3)n2/N=C/c2cccs2)cc1 1874352713 YGBZOBIUIFQERC-ZVHZXABRSA-N 434.590 5.539 30 10 IKEE Fc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2/N=C/c2ccco2)cc1 1874382065 XBUOFMIQIXTLQC-ZMOGYAJESA-N 426.904 5.429 30 10 IKEE Cc1cccc(/C=N/n2c(COc3ccccc3)nnc2SCc2ccccc2F)c1 1874384473 QKMUJHQJOVKLMN-CVKSISIWSA-N 432.524 5.479 30 10 IKEE COc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccc(C)cc2)cc1 1874405342 TWBVFQRXDTUWSN-YZSQISJMSA-N 434.609 5.892 30 10 IKEE Cc1cccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2cc(C)ccc2C)c1 1874417086 XGYLEAJLFUUBQV-WPWMEQJKSA-N 426.589 5.969 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2-c2cccs2)cc1O 1874421026 QMNQDGJBMMYWRH-FSJBWODESA-N 440.525 5.034 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)(C)C)n2/N=C/c2cccc(Cl)c2)c1 1874438803 URTPBPVHEPQFBJ-AFUMVMLFSA-N 427.017 6.311 30 10 IKEE Fc1cccc(Cl)c1/C=N/n1c(SCCc2ccccc2)nnc1[C@@H]1CCCO1 1874448390 AMWLWGUTUPEMNH-OEBVFIGYSA-N 430.936 5.139 30 10 IKEE CC(C)c1nnc(SCc2cccc3ccccc23)n1/N=C/c1cc(Cl)ccc1O 1874515457 YKJPBZBWWYSZAI-DHRITJCHSA-N 436.968 6.088 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccccc2Cl)c1OCc1cccc(Cl)c1 1874574760 DZBIQCBLCHWDJD-MDZDMXLPSA-N 447.745 7.131 30 10 IKEE CCCNC(=O)COc1c(/C=C/C(=O)c2cccc3ccccc23)cc(Cl)cc1OC 1874583451 NOVHBSWRLDIUHR-VAWYXSNFSA-N 437.923 5.303 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Br)cc(OC)c2OC)c(OCC)c1 1874589281 CZGNNFNOSQMWMZ-JXMROGBWSA-N 435.314 5.160 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2ccc(Cl)cc2)cc1Cl 1874591180 XABVHFKKSFTHAB-XYOKQWHBSA-N 443.326 6.486 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OCc3cccc4ccccc34)c(Cl)c2)c1 1874605593 VZTXIOJXCUESDU-WYMLVPIESA-N 428.915 6.977 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2Cl)cc(OC)c1OCc1cccc(F)c1 1874608509 RVXVHPKHVJUVKM-OUKQBFOZSA-N 436.910 6.691 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OCC)cc2)cc(OC)c1OCCc1ccccc1 1874614978 AFIOXZRVAINZHM-SFQUDFHCSA-N 442.555 6.340 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cccc(C)c3C)c(Cl)c2)c(C)c1 1874617560 HWFQMXJJXLAENR-FMIVXFBMSA-N 447.962 6.487 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(OC)c(F)c3)cc2)cc1 1874621646 NEQRYQCIWHBCIR-RIYZIHGNSA-N 433.479 5.310 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OCC(=O)OCC(C)C 1874625693 RJOOBNAYUDRMBG-KPKJPENVSA-N 426.484 5.037 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)c1cccc(Cl)c1 1874692963 GLDMZSIVYBKNSB-CSKARUKUSA-N 437.835 5.372 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1OC(=O)C1CCCC1 1874697771 OVVUQSPDQYESOZ-PKNBQFBNSA-N 429.310 5.449 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccc(C)cc3)c2)c1 1874704349 KEZHETLNIUYZJR-FMIVXFBMSA-N 446.499 5.065 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccc(C)cc2)c1 1874709980 SEBGSWSRYVCWNG-RVDMUPIBSA-N 428.528 6.416 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C)c(C)c3)c2)c1 1874714051 BCQQVNJAVGIECX-FYWRMAATSA-N 428.528 6.273 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)Cc2ccc(C)c(C)c2)c1 1874718558 PKOLMMVQXLVLJO-PKNBQFBNSA-N 434.919 6.010 30 10 IKEE O=C(COc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1Cl 1875096228 CLWAYCGBXBDTKM-GXDHUFHOSA-N 442.898 6.374 30 10 IKEE O=C(Cc1ccc(Cl)cc1)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1 1875096952 MWTBQVRHZHBFED-CXUHLZMHSA-N 430.931 6.263 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(CCCC)cc2)cc1OC 1875106044 ZEGGLCYHDUCASX-NTCAYCPXSA-N 428.956 6.683 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC(=O)CCOC 1875132600 JQPPLMIJJWHVOJ-RMKNXTFCSA-N 449.330 5.569 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1ccccc1[N+](=O)[O-] 1875133089 DRCVCEOUYMMYTN-JLHYYAGUSA-N 447.443 5.036 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)c1cnccn1 1875140358 BVLKICPBTPWLIN-BQYQJAHWSA-N 436.895 5.261 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2)c1 1875149752 GDDFJLSGJGTBLD-UKTHLTGXSA-N 444.483 5.384 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)c1ccncc1 1875155586 JLJOCZYJVKWIKP-BJMVGYQFSA-N 431.488 5.338 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC)c(Cl)c2)cc1 1875159338 NXNRADYUIKRVRJ-OQLLNIDSSA-N 428.956 6.901 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OC(=O)COc3ccccc3)c(Cl)c2)c1C 1875168594 LFMYGDKNRGVORF-ZRDIBKRKSA-N 448.946 6.454 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cccc(Oc4ccccn4)c3)cc21 1890896601 DOBRBKXVXAOQMX-UHFFFAOYSA-N 443.503 5.064 30 10 IKEE CCCOc1cc(Nc2ccc(NC(=O)c3ccc(C4(C#N)CC4)cc3)cc2)nc(C)n1 1891866715 WUQJTYCOAJDEPI-UHFFFAOYSA-N 427.508 5.125 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CC(C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C2 1912164175 TWAQFTCSHLYQJI-IRXDYDNUSA-N 448.568 5.138 30 10 IKEE CCC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 1945773225 NMMVETKKCTUTFD-QFBILLFUSA-N 435.540 5.400 30 10 IKEE C=C(Cl)C[C@H](NCCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1976565055 OHEKBYOUXXSLAE-XUZZJYLKSA-N 437.024 5.341 30 10 IKEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 1999931178 MOHZKDJWHNNAQA-MHECFPHRSA-N 429.561 5.357 30 10 IKEE C=C(Cl)C[C@@H](NCCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2016691249 MACXRPUTZOUYQO-RUZDIDTESA-N 435.995 7.028 30 10 IKEE CC(C)(C)OC(=O)NCC[C@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 2037234578 ZCYYQGBHFSYPDJ-MZNJEOGPSA-N 447.551 5.544 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1(C)C 2053051438 OXMZVQJTIIBOSC-IQGLISFBSA-N 449.636 5.779 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1c(Cl)ccc(Br)c1F 2058352280 OXYGXHWCXJAHOG-CZUORRHYSA-N 435.765 5.362 30 10 IKEE Cc1cc(C23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)cc(C)c1/N=C/c1cc(Cl)cc(Cl)c1O 2059018732 YIKPHGRMWCYPKV-MZRYWJHRSA-N 428.403 7.534 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC1(C2)CC(C#N)(N(C(=O)OC(C)(C)C)C2CCC2)C1 2065409805 XCFVPPDSMUCXKX-OALUTQOASA-N 445.604 5.380 30 10 IKEE O/N=C/c1cc(C2CCCCC2)nn1Cc1ccc(C(F)(F)F)c(Br)c1 2070145013 SLKPSQZHOFLCRI-AUEPDCJTSA-N 430.268 5.569 30 10 IKEE CCCCCCCC[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071327508 GDEBMYMSDVHGIZ-HHHXNRCGSA-N 432.604 7.629 30 10 IKEE CCc1nn([C@H](c2ccc(C3CCC3)cc2)C(C)C)c(I)c1C#N 2079925993 VHEBQXOARHMLEK-IBGZPJMESA-N 433.337 5.435 30 10 IKEE C[C@H](c1ccc(C2CCC2)cc1)n1nc(C2CCC2)c(C=NO)c1I 2079972390 UOPXRIRXWSSLIS-CYBMUJFWSA-N 449.336 5.440 30 10 IKEE CC(C)c1c(C(F)(F)F)nn2c(Cl)cc(-c3cccc(C(F)(F)F)c3F)nc12 2081245914 SRHAJHQQDDNOFQ-UHFFFAOYSA-N 425.735 6.350 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Cl)cc(Br)c1 2081558953 CUTJFTUOPVSIIW-DLBZAZTESA-N 431.802 5.613 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Cl)c(Br)c1F 2097192061 ZEDCYPFUHJDVST-RHSMWYFYSA-N 447.776 5.199 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H](Nc2ccc(C#N)c(Br)c2F)C1(C)C 2138961452 PCXZIFBOLHISQY-AWEZNQCLSA-N 426.330 5.050 30 10 IKEE C#CC[C@@H](C)C[C@H](NCCC)c1ccc(Br)cc1I 2142288603 KZMOYGBYOFZMQJ-WBMJQRKESA-N 434.159 5.144 30 10 IKEE CCN(C[C@H]1CCCCN1C(=O)OC(C)(C)C)c1cc(Br)cc(F)c1C#N 2174815610 VJTNUUJDKWDYOQ-OAHLLOKOSA-N 440.357 5.076 30 10 IKEE C#CC[C@H](C[C@H](NCC)c1cc(Br)ccc1I)C1CC1 2196855585 DEMMYAANRPFDSK-DYVFJYSZSA-N 446.170 5.144 30 10 IKEE N#Cc1c(F)cc(Br)cc1NC[C@@]12CCC[C@@H]1CCN2Cc1ccccc1 2197379130 YAWRWTIARLULNN-VGSWGCGISA-N 428.349 5.317 30 10 IKEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1sc(C)c(C)c1Br 2229236367 IGMRORCPUIKKIH-HNNXBMFYSA-N 444.439 5.271 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Br)ccc1[C@H](N)C#Cc1ccc(Cl)cc1 2231105305 ZLFZRZBKQCFBCN-QGZVFWFLSA-N 435.749 5.501 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)[C@H](C)CN(CC)C(=O)OC(C)(C)C 2235730409 OPUOFDWNKXSMAW-YLJYHZDGSA-N 437.422 5.062 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCC1)[C@H](C#N)c1cc(C(F)(F)F)ccc1Br 2236344804 PVYNFWPHVGLBMO-MRXNPFEDSA-N 447.295 6.212 30 10 IKEE CCC#CC[C@H](NCCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237410297 NNNHBBSPWLDPJW-PMACEKPBSA-N 437.422 5.057 30 10 IKEE CC[C@@H]1CC=C(C(=O)[C@@H](Cc2ccccc2Br)NC(=O)OC(C)(C)C)CC1 2237427345 XOKVIPBRNJKBHG-DNVCBOLYSA-N 436.390 5.591 30 10 IKEE C=CCC1([C@H](NCCC)c2ccc(Br)cc2C)CN(C(=O)OC(C)(C)C)C1 2237560205 QLFBGXJVYBKZDS-LJQANCHMSA-N 437.422 5.611 30 10 IKEE CN[C@H](C#Cc1ccc(C)cc1)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2239637040 XXWHOIISIHNXJA-LJQANCHMSA-N 429.358 5.417 30 10 IKEE Cc1ccc(C(=O)N(Cc2ccccc2)[C@@H](C)C(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267600927 NXDVUBRUEOJCAL-FQEVSTJZSA-N 435.417 5.371 30 10 IKEE C=C(C)CCCC[C@H](NCC)c1ccc(I)c(Br)c1 2271792191 SIDXUGPVXQTANB-INIZCTEOSA-N 436.175 5.841 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)Nc1ccc(OCc2ccccc2)cc1 2282141007 CRWHLDKZZUNPFN-UHFFFAOYSA-N 443.352 5.126 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H](CNc2cc(Br)cc(F)c2C#N)CC1 2295179234 DYOBHFYBCPMSSU-AWEZNQCLSA-N 440.357 5.299 30 10 IKEE CC(C)(C)OC(=O)NCC1([C@H](O)C#Cc2cccc(Br)c2)CCCCCC1 2296219276 MLOJWBXINHUFHC-LJQANCHMSA-N 436.390 5.027 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)c1ccc(CNC(=O)OC(C)(C)C)s1 2296283217 DHJVJSORPPITHT-GOSISDBHSA-N 449.414 5.238 30 10 IKEE COc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1cccs1 2314429348 FFEXMIBSSJHEQP-UHFFFAOYSA-N 440.520 6.539 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cccc(OCc2ccccc2)c1 2314460815 OMNHGVQTFMNRPZ-LOSJGSFVSA-N 436.596 5.613 30 10 IKEE CCOc1ccc(C=C2SC(=Nc3nccs3)N(c3ccccc3)C2=O)cc1OC 2314542050 GRNUYNXCWKKRAW-UHFFFAOYSA-N 437.546 5.359 30 10 IKEE Cc1csc(N=C2SC(=Cc3ccc([N+](=O)[O-])cc3)C(=O)N2C2CCCCC2)n1 2314543399 CJYJOFGEVZIWBY-UHFFFAOYSA-N 428.539 5.296 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CC2)c1OC 2320858286 GUBCBMPPJCHQDQ-UHFFFAOYSA-N 428.945 5.001 30 10 IKEE COc1cc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CC2)cc(Cl)c1O 2320887036 QUJASKQLBKJVMV-UHFFFAOYSA-N 449.363 5.351 30 10 IKEE Cc1ccccc1COc1cc(C)c2c(c1)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2321742577 CIXAZEUEAPNNTK-UHFFFAOYSA-N 432.519 7.166 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3cc(OCc4ccccc4F)cc(C)c3C1=O)cn2C 2321794204 HFLYKYBSFOJCEH-UHFFFAOYSA-N 443.474 5.830 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(Cl)cc1)O3)CN(CCC1=CCCCC1)CO2 2322107158 QIKIRNASJGPNQC-UHFFFAOYSA-N 435.951 6.307 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc4c3CN([C@H](C)c3ccc(OC)cc3)CO4)C2=O)cc1 2322239924 ZWOGWVMPMVHFEV-GOSISDBHSA-N 441.527 5.787 30 10 IKEE O=C(C=Cc1ccccc1OCc1cccc(Cl)c1)c1cccc(Br)c1 2322457429 JWUQKJUXGVXFKF-UHFFFAOYSA-N 427.725 6.578 30 10 IKEE Cc1ccccc1COc1ccc2ccccc2c1C=CC(=O)c1ccc(C(C)(C)C)cc1 2322685561 GBFDEALRIABOAU-UHFFFAOYSA-N 434.579 7.921 30 10 IKEE Cc1cc(OC(=O)c2ccccc2Cl)cc2c1C(=O)C(=Cc1c(F)cccc1Cl)O2 2322725192 OFKAULKFHDNWPE-UHFFFAOYSA-N 443.257 6.276 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1OCC(=O)N[C@H](C)c1ccccc1 2323118130 RLZRQOWOKKFEBI-GOSISDBHSA-N 449.934 5.501 30 10 IKEE O=C(O)C=Cc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2323603410 YZLBNBOYGOSWJU-UHFFFAOYSA-N 446.842 5.273 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)cc(Cl)c1OCc1ccccc1F 2323635194 OVSXRMWNCGTUML-UHFFFAOYSA-N 440.898 6.362 30 10 IKEE COc1cccc(-c2csc(NN=Cc3ccccc3OCc3ccc(C)cc3)n2)c1 2323865705 OTNUHHUZAMDTAQ-UHFFFAOYSA-N 429.545 6.152 30 10 IKEE CCc1ccc(C=C2Oc3c(CN4CCOc5ccccc54)c(O)cc(C)c3C2=O)cc1 2324155876 HNCCQBSZOBREIE-UHFFFAOYSA-N 427.500 5.278 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(O[C@H](C)C(=O)Nc4ccccc4C)c3C)C2=O)cc1 2324412987 SPEHAOQULWMWMD-LJQANCHMSA-N 441.527 5.888 30 10 IKEE CC(C)OC(=O)c1ccc(COc2ccc3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1 2324602980 LBVZJGIIZGDMON-UHFFFAOYSA-N 432.447 5.586 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)ccc1OCCc1ccccc1 2324665704 IYALJTFJKZBCKT-UHFFFAOYSA-N 441.354 6.910 30 10 IKEE COc1ccc(C)cc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc(F)cc1)C2=O 2325119018 QRYZUILGLQNMGK-UHFFFAOYSA-N 447.462 5.085 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1cccc(C)c1 2325535277 BXBPIJKVUIRZIQ-UHFFFAOYSA-N 433.408 6.410 30 10 IKEE CCCCCCC(=O)Oc1cc(C=CC(=O)c2ccc(OC)c(OC)c2)ccc1OC 2325703064 KLTIGUGRIFYQRH-UHFFFAOYSA-N 426.509 5.484 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(C)cc3)c2)cc1 2325710074 MJYFRYZFSPXVNM-UHFFFAOYSA-N 428.528 6.462 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2cccc(C=CC(=O)c3cccc(Br)c3)c2)c1 2325720579 SONQFMBMIVXKNF-UHFFFAOYSA-N 449.344 6.110 30 10 IKEE COc1ccccc1CCC(=O)Oc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC 2325735628 SGSFKLMCXSRUGD-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE COc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccc(C)c(C)c3)cc(C)c2C1=O 2325738627 FVYOFHCTONTFJZ-UHFFFAOYSA-N 443.499 5.254 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)CC3CCCCC3)c2)cc1 2325738720 BVGKCISTTWPTMG-UHFFFAOYSA-N 436.548 6.256 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cccc(OC(=O)[C@H](C)Oc3ccc(Cl)cc3)c2)c1 2325740440 HLFZJKPSVWHCMU-IBGZPJMESA-N 434.919 6.226 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1OC(=O)Cc1cccs1 2325756350 AWAWFCHIDHEFGT-UHFFFAOYSA-N 434.557 6.035 30 10 IKEE CCCCCCCOc1ccccc1C=Nn1cnnc1SCc1cc(C)cc(C)c1 2326396590 WXIKXBXBBNLQGT-UHFFFAOYSA-N 436.625 6.419 30 10 IKEE CCOc1ccc2ccccc2c1C=Nn1c(CC)nnc1SCc1ccc(C)cc1C 2326442400 JRYHNHAGQQUWDN-UHFFFAOYSA-N 444.604 6.184 30 10 IKEE CCCc1nnc(SCc2ccc(Br)cc2)n1N=Cc1ccc(C)cc1 2326620922 BISSKDIEWOYGIF-UHFFFAOYSA-N 429.387 5.476 30 10 IKEE CCCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(OCC)c(Cl)c1 2326733716 YCJNUYYCRZEBFE-UHFFFAOYSA-N 432.952 5.596 30 10 IKEE CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccc(Br)cc1 2326867928 XTNULLCYXXGYBV-UHFFFAOYSA-N 445.430 5.404 30 10 IKEE Cc1ccccc1C=Nn1c(COCc2ccccc2)nnc1SCc1ccccc1C 2329307257 ZDASXTYHZNNIGO-UHFFFAOYSA-N 442.588 5.786 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3C)n2N=Cc2ccco2)c1 2329488615 QKAVVGQFLCHQCS-UHFFFAOYSA-N 430.577 5.756 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2ccccc2Cl)n1N=Cc1cccs1 2329750418 OETGHPDJBGGDLQ-UHFFFAOYSA-N 442.972 5.897 30 10 IKEE Cc1ccsc1C=Nn1c(Cc2cccs2)nnc1SCc1ccccc1Cl 2330398619 WRBFLKSMYQIVMO-UHFFFAOYSA-N 445.038 6.128 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1Cl 2330663803 WWQMZVHYKFTREW-UHFFFAOYSA-N 448.990 8.045 30 10 IKEE CN(C)c1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccc(F)cc2)cc1 2330819443 PRTBAZGJFSHOCK-UHFFFAOYSA-N 425.577 5.246 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cccs3)c(OC)c2)cc1 2330846559 IRIHTMOHLUOLJP-UHFFFAOYSA-N 434.557 6.144 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc(F)cc1F 2330950782 HHSLIEYHCOIAHK-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE COc1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2C2CCCC2)cc1OC 2331049578 QPPWQMKEVYZJRU-UHFFFAOYSA-N 440.544 5.267 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2Cl)c([N+](=O)[O-])c1)c1cccc(Cl)c1 2331124071 KKTCFSSUSRYMJZ-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1cccc(F)c1 2331292927 WPUWGNMOJBPOTO-UHFFFAOYSA-N 430.475 5.987 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(Br)cc1 2331385646 BZYYWSMUHRHLAN-UHFFFAOYSA-N 447.377 5.652 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccccc3F)c(Cl)c2)c1C 2331646607 JWBZMHHMLREHHE-UHFFFAOYSA-N 436.910 6.828 30 10 IKEE C=C(C)CSc1nnc(C(C)C)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2331696250 KFIMUEQVMKAOLD-UHFFFAOYSA-N 441.000 6.184 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c3ccccc23)cc1OCC 2331869740 AHPXMIGBPRLKIW-UHFFFAOYSA-N 432.516 6.239 30 10 IKEE CC1(C)OB(/C=C/c2ccc(NC[C@@H]3CCCN(Cc4ccccc4)C3)nc2)OC1(C)C 2339534893 JGKOVIUDWRYYRV-NSFRLNINSA-N 433.405 5.050 30 10 IKEE C[C@@H](C[C@@H](C)CNC(=O)OC(C)(C)C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339578225 DOQOEEQMCWXNJR-QJPGBWLHSA-N 446.397 5.044 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)cn1 2339588828 OFZNERWTOFJTTK-OUKQBFOZSA-N 438.337 5.212 30 10 IKEE N#Cc1cc(Br)ccc1NCc1ccc(Cl)cc1I 2341056582 ZZUWJXHTJYTWQL-UHFFFAOYSA-N 447.501 5.191 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)ccc1OC 2364633903 WXVMLWVUKATVPQ-HKUYNNGSSA-N 441.410 5.358 30 10 IKEE CCCC[S@](=O)CSc1nc(-c2ccc(OC)cc2)cc(-c2ccccc2)c1C#N 9993078 FSCYKXRZYATRJC-SSEXGKCCSA-N 436.602 5.894 30 10 IKEE CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 10013568 YNHOOWWJUHDADK-JOCHJYFZSA-N 438.930 5.722 30 10 IKEE COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1S[C@@H]2c1ccc(C)cc1 17095547 JFZPACGXOKJGEX-UZTOHYMASA-N 427.569 6.663 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccc3nc(SCC)sc3c2)nnc1C(C)(C)C 20839244 YJHYSZYAUHVTHI-UHFFFAOYSA-N 447.655 5.214 30 10 IKEE O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1ccccc1C(F)(F)F)Nc1ccccc1N2 21225495 DLOBASVYAVXFQB-LFVRLGFBSA-N 440.490 6.746 30 10 IKEE CCCN(CCC)Cc1c(O)ccc2c1O/C(=C\c1cn(CC)c3ccc(OC)cc13)C2=O 28182859 YQNUFVWNSQQJSQ-QFEZKATASA-N 448.563 5.614 30 10 IKEE CC(=O)O[C@H]1CC[C@@]2(C=O)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 34369852 FGMFMYIBGXDVFC-KVHJHAPGSA-N 442.684 7.139 30 10 IKEE CCOC(=O)C1=C(Nc2cccc(C(F)(F)F)c2)S/C(=C/c2ccc(C)cc2O)C1=O 36257919 CAJKNRMPYWDZRW-LICLKQGHSA-N 449.450 5.263 30 10 IKEE CC[C@@H](C)n1c(O)c(C(=O)c2sc3cc(Cl)ccc3c2Cl)c(C)c(C#N)c1=O 38617231 UYXRCCPXNQTQIQ-SECBINFHSA-N 435.332 5.458 30 10 IKEE C=CCOc1ccccc1/C=C1\S/C(=N/c2nnc(C)s2)N(C2CCCCC2)C1=O 39866503 OEQCKFNHGXDLHL-UVOXWLTBSA-N 440.594 5.348 30 10 IKEE C=CCOc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccccc2)c1 39874312 LTCVDUHUBXBOSM-HSZRJFAPSA-N 443.886 5.761 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCCC)c2)[C@H]1c1ccc(C(C)C)cc1 40101546 JUIUEDWDMVNVSW-XMMPIXPASA-N 435.564 5.977 30 10 IKEE C=CCc1ccc(OCCCCn2c([C@H](C)NC(=O)CC)nc3ccccc32)c(OC)c1 40188758 OSDVMNPEZGXXSH-IBGZPJMESA-N 435.568 5.220 30 10 IKEE CCn1cc(/C=C2\Oc3c(cc4c(c3C)OCN(CC(C)C)C4)C2=O)c2cc(OC)ccc21 41589222 RXSDKDRQXFOPMG-VROXFSQNSA-N 446.547 5.402 30 10 IKEE COc1ccc(-c2nc(-c3cccs3)c(/N=C(\N)c3ccc(Cl)cc3)s2)cc1 53994139 HDOMRLCDWBCXBV-UHFFFAOYSA-N 425.966 6.238 30 10 IKEE Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NS(=O)(=O)Cc1ccccc1 59239782 KADJGDPGEGZNPR-HXUWFJFHSA-N 445.371 5.899 30 10 IKEE Cc1ccc(CSc2nc3ccc(/N=C/c4cccc([N+](=O)[O-])c4)cc3s2)c(C)c1 59505916 TVZCNMKGTXICIO-ZMOGYAJESA-N 433.558 6.864 30 10 IKEE Cc1ccc(-c2nc3scc(-c4ccccc4)c3c(=O)n2Cc2cccc(C#N)c2)cc1 96532590 KOPVCIWRBKDCSR-UHFFFAOYSA-N 433.536 6.020 30 10 IKEE O=C(O)c1ccc(/C=C2\S/C(=N/c3cccnc3Cl)N(c3ccccc3)C2=O)cc1 101126854 JGSLHNNLEZYSFN-ZXHAZXQISA-N 435.892 5.242 30 10 IKEE CCCCCCCOc1c(Cl)cc(C(=O)Nc2cccc3ccccc23)cc1Cl 101138334 WVQXNXKGQMCAAF-UHFFFAOYSA-N 430.375 7.748 30 10 IKEE CCCCCCCCn1c([C@@H]2CC(=O)N(c3ccccc3OCC)C2)nc2ccccc21 101325340 SAOSNAYRNQJCJJ-OAQYLSRUSA-N 433.596 6.316 30 10 IKEE CCCCCCCCCn1c(CCCNC(=O)Cc2ccccc2C)nc2ccccc21 102156115 TWIWSCCATBEVOG-UHFFFAOYSA-N 433.640 6.387 30 10 IKEE CCCCCCCC(=O)N1CCC2(CC1)SCC(=O)N2c1cccc(C(F)(F)F)c1 102992136 ANPUUWJHMUSQLG-UHFFFAOYSA-N 442.547 5.464 30 10 IKEE COc1ccc2c(c1)CC[C@@H]1C2=NN(/C(C)=C\C(C)=O)[C@@H]1c1ccc(Br)cc1 103971328 ZXOVSPPEKNYKJJ-WQWKFTHLSA-N 439.353 5.274 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cc(C)ccc2C)cc1 169924678 NYTCFQKYGZROMT-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE CCCN1C(=S)N[C@@H](c2cc(Cl)ccc2OC(C)C)C(C(=O)c2ccccc2)=C1C 169928957 JOSSNXIWAPQTIP-QFIPXVFZSA-N 443.012 5.925 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1c1ccc(C)cc1C 169945224 HBEAQSBFHCJHBX-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccc(OC(C)C)c2)cc1 169979640 MTGANEXWQGLPMM-RUZDIDTESA-N 441.527 5.819 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2cccs2)c1 169989044 UZBJBIFPSNRVJK-JOCHJYFZSA-N 433.529 5.152 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2cccc(C)c2)c1 170035842 RNMQEWYKUOYSIJ-XMMPIXPASA-N 445.490 5.624 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccccc2)cc1 170048656 WKAWFGXGIRILNJ-RUZDIDTESA-N 436.511 6.074 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(F)cc2)c1 170061998 AEWYCLJGAVPNLK-HSZRJFAPSA-N 447.462 5.016 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccc(F)cc2)cc1 170063882 OSQWGMBGWJQOEB-JOCHJYFZSA-N 437.417 5.449 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2ccc(F)cc2)cc1 170063884 OSQWGMBGWJQOEB-QFIPXVFZSA-N 437.417 5.449 30 10 IKEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccco1)c1ccc(Cl)cc1 170098176 OOVONVRUHYJJIQ-SFHVURJKSA-N 436.876 5.326 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2sccc2C)cc1 170105125 OLZQZMLGYUJXBM-NRFANRHFSA-N 449.528 5.247 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2Cc2ccco2)c1 170143816 IBQKMAVNFCFDDC-QHCPKHFHSA-N 431.488 5.154 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccs2)c1 170156645 WVKUCAJNDBUNJO-FQEVSTJZSA-N 439.920 5.501 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 170235220 ZLKKTNCEXKLXEP-JOCHJYFZSA-N 433.891 5.522 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2OC)[C@@H]1c1ccc(C(C)C)cc1 170245171 MRLKNUHTLQGBDE-QHCPKHFHSA-N 437.536 5.206 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CCCOC)cc1 170266929 MWSAWPGXFSGHTM-FQEVSTJZSA-N 448.346 5.171 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccccc1C 170275502 MEIGYVDEMUJNRH-VWLOTQADSA-N 445.603 6.512 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccco2)cc1C 170282760 ZCBHGDBDBSIIRB-HSZRJFAPSA-N 431.488 5.386 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@@H]1c1ccco1 170294802 IAEDESORCOVNES-QFIPXVFZSA-N 425.525 5.489 30 10 IKEE COc1c(Cl)cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccco2)cc1Cl 170295731 LRUZHWGXKNXWFW-QGZVFWFLSA-N 436.291 5.116 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccco1 170296184 MHJZFXMJBKQEKR-QHCPKHFHSA-N 447.506 5.803 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(C)o2)cc1Cl 170308186 KGZPTSOZXPLCRY-HXUWFJFHSA-N 429.900 5.161 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)nc2ccccc12 170536892 CTHYBLKIWGMFJE-VQHVLOKHSA-N 448.313 5.559 30 10 IKEE Cc1occc1C(=O)Nc1ccc(C(=O)/C=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 210044058 AEEOAJUXWXSPOY-BENRWUELSA-N 442.427 5.905 30 10 IKEE Cc1occc1C(=O)Nc1cccc(C(=O)/C=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 210049246 CYLHDNQTQWAZLW-LUAWRHEFSA-N 442.427 5.905 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1cccc(OCC(C)C)c1 526805153 HBDXEAUZSFVYTQ-QQXSKIMKSA-N 436.625 6.138 30 10 IKEE Cc1nnc(SCc2cccc3ccccc23)n1/N=C\c1cccc(Cl)c1Cl 526821245 IJOWWDCGKTTWBY-MSXFZWOLSA-N 427.360 6.221 30 10 IKEE COc1ccc(OC)c(/C=C\C(=O)c2c(O)nc3cc(C)ccc3c2-c2ccccc2)c1 606443873 XKJKBIQSAWJJIL-RAXLEYEMSA-N 425.484 5.829 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CSCCC1(C)C 698444183 LXCSVGLZBPPUBY-LJQANCHMSA-N 425.392 5.616 30 10 IKEE C[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 698862227 UVYDBQHVVNHMSE-HJPURHCSSA-N 433.524 5.249 30 10 IKEE C=C(Cl)C[C@@H](NCCC)c1cc(Br)ccc1I 710619589 ITOSRFHQXCRHBC-CYBMUJFWSA-N 428.539 5.237 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2ccc(Br)c(Cl)c2)c1 710773226 ACPPDMDGUBKZPG-GOSISDBHSA-N 435.749 6.417 30 10 IKEE O=C1/C(=C/c2cn(-c3ccc(F)cc3)nc2-c2ccccc2)COc2ccc(Cl)cc21 725328594 MWYARTOOQUVKMH-LDADJPATSA-N 430.866 5.991 30 10 IKEE O=C1NC(=Nc2ccccc2)S/C1=C\c1cc(N=Nc2ccccc2Cl)ccc1O 1084027231 KQJVRDNZUUHOOF-MWQAUUPISA-N 434.908 6.353 30 10 IKEE Nn1c(NN=Cc2cccc3ccccc23)nnc1SCc1ccc(Cl)c(Cl)c1 1084366826 DJDXYGPJFGIQRX-UHFFFAOYSA-N 443.363 5.190 30 10 IKEE CC(/C=C1\S/C(=N\N=C/c2cccs2)N(Cc2ccco2)C1=O)=C\c1ccccc1 1554646857 TWXLBPYDFKOZOC-GADCRDTOSA-N 433.558 5.794 30 10 IKEE C[C@H]1C/C(=N/c2ccc(F)cc2)c2cc(F)ccc2N1C(=O)c1ccc(Cl)cc1Cl 1615951230 ZOSOLHXHWHGAON-VKRVNKPYSA-N 445.296 6.831 30 10 IKEE CCOc1ccc(/C=C2\SC(=Nc3cccc(C)n3)N(c3ccccc3)C2=O)cc1OC 1772737831 PRAMNXRWAPCPDI-MTTLQMSQSA-N 445.544 5.606 30 10 IKEE CC(C)(C)c1ccc(C=NN=C2NC(=O)[C@@H](Cc3cc(Cl)ccc3Cl)S2)cc1 1772741990 RTUKYGBVDKLXNC-GOSISDBHSA-N 434.392 5.455 30 10 IKEE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1C(=NNc1ccccc1)CCC2 1772750739 JLNDFANPXDKFSL-UHFFFAOYSA-N 427.426 6.012 30 10 IKEE Cc1ccc(N=C2S[C@@H](CC(=O)c3ccc(C)c(C)c3)C(=O)N2c2ccc(C)cc2)cc1 1772760142 UHQXDRQJZQQMKP-VWLOTQADSA-N 442.584 6.329 30 10 IKEE CCOc1ccc(NC(=S)N/N=C\c2cn(-c3ccccc3)nc2-c2cccs2)cc1 1857810704 CATMTVBUWXJWSJ-IWIPYMOSSA-N 447.589 5.320 30 10 IKEE COc1cccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)nn2-c2cccc(Cl)c2)c1 1859403269 OLHMDVYBQOAERN-UHFFFAOYSA-N 428.879 5.325 30 10 IKEE N#Cc1c(NC(=O)CSc2nc(-c3ccc(F)c(F)c3)cs2)sc2c1CCC2 1860816922 HNGWEIUDELBGRA-UHFFFAOYSA-N 433.530 5.241 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 1861565342 NMQXGMYNQVFTQH-XGLNBYONSA-N 442.688 6.539 30 10 IKEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@H]2c2ccccc2)cc1 1862429996 ZRSDQXBFVSXPRC-QMHKHESXSA-N 447.918 5.688 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(N(C)C)cc1 1862433664 IEVSWXIQFRLJCA-NRFANRHFSA-N 426.944 5.030 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccccc2F)cc1 1862474902 YITNGRAQOABMTK-AVRWGWEMSA-N 443.518 6.036 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(C(C)C)cc1 1862477792 RPTWBKQOIWCYFZ-AZGAKELHSA-N 447.619 7.056 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(Cl)cc1Cl 1862508131 FEFLDOUMFSNORH-HXPMCKFVSA-N 436.310 5.818 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CC(C)C)cc1 1862509618 MLLZZSMCRCATPY-HSZRJFAPSA-N 438.543 5.215 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 1862518903 WSZVKICJXBECRU-XMMPIXPASA-N 449.591 6.007 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2cccc(OC)c2)cc1 1862530815 YKPUYYPHNMIAJD-YJGRUCBDSA-N 433.548 5.415 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2ccccc2C)cc1 1862533420 MGZAWFHVVSFVKT-QHCPKHFHSA-N 431.557 5.440 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccc(Cl)cc2)cc1 1862556000 MUEBHBPFRYEYOJ-HSZRJFAPSA-N 446.934 5.263 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2[C@H](C)CC)c1 1862582412 DEWMJEYIXODLDM-XCLFUZPHSA-N 448.346 5.769 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862624407 KABYNKMHEGLELA-LJQANCHMSA-N 442.899 5.144 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(N(C)C)cc1 1862651058 KKACYAMMRJXDEL-RUZDIDTESA-N 442.559 5.530 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862660567 KADIGPXWUAHCLS-XMMPIXPASA-N 446.547 5.032 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(O)c(O)c2)cc1 1862662001 FQSRQQXFYFOLMW-DEOSSOPVSA-N 449.547 5.522 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2C)c1 1862674572 PHJJLNNXTGLPQX-DEOSSOPVSA-N 429.491 5.529 30 10 IKEE Cc1ccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3ccccc3C#N)C2=O)cc1Cl 1862805359 VOCJVAXTJZEPGR-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(F)cc2F)C1=O 1863315550 OSWRGMLHMIAGNN-UHFFFAOYSA-N 437.490 5.389 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCN(C)C)=C(c2ccc(Cl)cc2)C1=O 1863533674 MTWFUIKTKAXGAO-UHFFFAOYSA-N 448.051 5.102 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccncc2)=C(c2ccccc2F)C1=O 1863644956 VAZJHHXJQFDTLW-UHFFFAOYSA-N 437.559 5.231 30 10 IKEE CC(C)(C)c1nc(Nc2ccc(C#N)cc2)cc(N2CCC(N3CCCCCC3)CC2)n1 1868355539 MAUJOGHUZLTENF-UHFFFAOYSA-N 432.616 5.234 30 10 IKEE CCOc1ccc(-c2nc(Nc3cccc(C#N)c3)cc(N3C[C@@H](C)OCC3(C)C)n2)cc1 1868518658 VZKUCHTYKHNZFI-GOSISDBHSA-N 443.551 5.161 30 10 IKEE C=CCOc1cn(Cc2ccccc2C)c(CSCc2nc3ccccc3[nH]2)cc1=O 1870244433 PCUAWMXUUGBLJP-UHFFFAOYSA-N 431.561 5.080 30 10 IKEE C#CCOc1cn(CCC2=CCCCC2)c(CSc2nc3ccccc3s2)cc1=O 1870302203 HNPHYDRWODGHLK-UHFFFAOYSA-N 436.602 5.653 30 10 IKEE CCCCCCCCCCn1cc(OCCCC)c(=O)cc1CN(CCCC)CCCC 1870664142 VJQLUSCDPKSGDV-UHFFFAOYSA-N 448.736 7.570 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(C)cc2)cn1CCc1ccc(C)cc1 1870768054 KHJOGJMFLOKDHM-UHFFFAOYSA-N 442.603 5.461 30 10 IKEE C=CCn1cc(OCCOC(C)C)c(=O)cc1CNc1ccc(Cc2ccccc2)cc1 1870987597 XRACQVPSOOBURJ-UHFFFAOYSA-N 432.564 5.041 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1c(Cl)cccc1Cl)O3)CN(CCC(C)C)CO2 1871353736 VSLCKDXYQHLSTJ-JMIUGGIZSA-N 432.347 6.116 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O)/C(Cl)=C/c1ccccc1 1871377680 YHLAQDJWRHMJGO-FFOWACNVSA-N 447.830 5.396 30 10 IKEE C=CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2F)C3=O)c1 1871388869 MYUREJUVQKJYAC-UCQKPKSFSA-N 430.431 5.534 30 10 IKEE CCCCN(CC)Cc1c(O)cc(C)c2c1O/C(=C\c1ccc(N(CC)CC)cc1)C2=O 1871395826 SADZFGOKXNWHIZ-ULJHMMPZSA-N 436.596 5.785 30 10 IKEE COc1cccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccccc4C)ccc3C2=O)c1 1871404284 KXJARSLFIDEYED-SNNLMFDCSA-N 429.472 5.026 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OCCCOc4ccc(CC)cc4)c3C)C2=O)cc1 1871412731 ARQXDHFWMQDIMQ-DIBXZPPDSA-N 442.555 6.584 30 10 IKEE C=C(C)CN([C@@H](C)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1cc(C)ccc1C 1872212744 HWLBGHDJAZCSLL-FQEVSTJZSA-N 442.625 5.195 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1CC)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872468099 VDFHYQGYASYWQN-XMMPIXPASA-N 442.625 5.096 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cccc(C)c1C)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872503247 UNYIIKCTGCDWSP-XMMPIXPASA-N 442.625 5.150 30 10 IKEE CC(C)c1ccc(O[C@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 1872759938 CZZMQXJKICVPGR-KOSHJBKYSA-N 444.600 6.456 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(C(=O)OC)cc3)n2)cc1 1872765184 JHIRZWIDAWOBOP-RCJYHZQCSA-N 444.556 5.829 30 10 IKEE C[C@H](c1ccccc1)N1C[C@@H](C(=O)[C@@H](C#N)c2nc(-c3cccc(Cl)c3)cs2)CC1=O 1872766893 QCJLCYJRVGFJDL-MOXGXCLJSA-N 449.963 5.249 30 10 IKEE Cc1cc(OCC(=O)[C@H](C#N)c2nc(-c3cccc4ccccc34)cs2)cc(C)c1Cl 1872775569 UIVHYZYFFUFOAX-NRFANRHFSA-N 446.959 6.489 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(C)cc3C)n2)c2ccccc12 1872788602 MAGJQIVUDINEPJ-NRFANRHFSA-N 442.540 5.844 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OCC(C)C)cc3)n2)cc1Cl 1872789774 UVQOUKOALKPAMX-GOSISDBHSA-N 440.952 5.997 30 10 IKEE CCCCCCCCNC1=C(c2ccc(Cl)cc2)C(=O)N(C2CCCCCC2)C1=O 1873138364 NBZJFBZOWZOBMF-UHFFFAOYSA-N 431.020 6.093 30 10 IKEE C=CCn1c(C(=O)N2CCC[C@@H](C)C2)cc2c(N(CCCC)CCCCCC)ncnc21 1873562927 ZZIGABUAMXSJEN-OAQYLSRUSA-N 439.648 5.676 30 10 IKEE CCc1ccc(OCCCc2nnc(SC)n2/N=C/c2ccc(C(F)(F)F)cc2)cc1 1874223613 VESBXZSLRKMWEK-CVKSISIWSA-N 448.514 5.475 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2)cc1OC 1874237453 JOPVQNMVKQTLKT-YZSQISJMSA-N 444.560 5.061 30 10 IKEE CCCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1c[nH]c2ccccc12 1874247594 MIUOOODMJXEFMH-YZSQISJMSA-N 433.581 5.464 30 10 IKEE CCSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1ccc(Cl)cc1Cl 1874261856 VXFGGXUSPLLGSV-NUGSKGIGSA-N 443.306 5.436 30 10 IKEE Fc1ccc(CSc2nnc(COc3ccc(Cl)cc3)n2/N=C/c2ccc[nH]2)cc1 1874263583 GVUBIYUCAACKMO-BRJLIKDPSA-N 441.919 5.152 30 10 IKEE CC(C)c1ccc(/C=N/n2c(Cc3cccc4ccccc34)nnc2SCCCO)cc1 1874271245 LRJVAFYTLOOYAU-OVVQPSECSA-N 444.604 5.502 30 10 IKEE CCCCC1CCC(c2nnc(SCCCO)n2/N=C/c2ccc([N+](=O)[O-])cc2)CC1 1874286395 DKHUUOPMCALADE-XQNSMLJCSA-N 445.589 5.007 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2F)cc1 1874303028 DEWFCWYAASQHQF-WPWMEQJKSA-N 446.551 5.581 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccc(C)cc3C)n2/N=C/c2cccs2)c1 1874325834 KBFPVPJVXWQKNQ-AFUMVMLFSA-N 448.617 6.018 30 10 IKEE Oc1ccccc1/C=N/n1c(COCc2ccccc2)nnc1SCc1ccc(F)cc1 1874352873 GEBRHPKJIKAVCA-VULFUBBASA-N 448.523 5.014 30 10 IKEE CCSc1nnc(CC2CCCCC2)n1/N=C/c1ccc(OCc2ccc(C)cc2)cc1 1874407089 DSYQXHWFOSYYDE-OVVQPSECSA-N 448.636 6.283 30 10 IKEE Fc1cccc(CSc2nnc(Cc3cccs3)n2/N=C/c2ccc(F)cc2F)c1 1874411998 WEGVHBHIEZFLSQ-BRJLIKDPSA-N 444.507 5.522 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3ccccc3C)nnc2-c2ccccc2)c1 1874426150 TZEVQTWOPJPTEB-YZSQISJMSA-N 428.561 5.827 30 10 IKEE CN(C)c1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2[C@@H]2CCCO2)cc1 1874449526 FBIBMFVDTQOZKJ-PGLVWIQMSA-N 441.988 5.024 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2[C@@H]2CCCO2)c1 1874450080 SOFYFWYJOQLQCO-PGLVWIQMSA-N 442.972 5.356 30 10 IKEE COCc1nnc(SCc2ccccc2F)n1/N=C/c1ccc(Cl)cc1Cl 1874501710 VHPGXJJMHHKYKE-LSFURLLWSA-N 425.316 5.045 30 10 IKEE CCSc1nnc(C(C)C)n1/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1874512596 FNEUJTOILVPHFZ-WYMPLXKRSA-N 449.407 6.282 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C(C)C)c1 1874514872 KWTDOBVJEMINIA-WPWMEQJKSA-N 444.604 6.518 30 10 IKEE FC(F)(F)c1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CC2)cc1 1874520081 ADNUNCWJJLGWOR-OPEKNORGSA-N 436.890 6.002 30 10 IKEE CCOc1cc(/C=N/n2c(S)nnc2C(C)(C)C)ccc1OCc1cccc(Cl)c1 1874559408 PZNPRXWRVJFBBZ-ZMOGYAJESA-N 444.988 5.378 30 10 IKEE C[C@H](NC(=O)COc1ccccc1/C=C/C(=O)c1ccc2ccccc2c1)c1ccccc1 1874571240 CUOGGYUIXDUWMK-APOCOGJHSA-N 435.523 5.992 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OC)c1OCC(=O)Nc1ccc(F)cc1 1874580703 CDDNKSBWSXGNCS-MDWZMJQESA-N 449.478 5.065 30 10 IKEE COC(=O)c1ccc(COc2ccccc2/C=C/C(=O)c2cc(Cl)cc(C)c2OC)o1 1874588944 MLJNBPQPPALXKO-CSKARUKUSA-N 440.879 5.512 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1c(OCc2ccccc2C)ccc2ccccc12 1874591994 MTLQWTOPLMCEBA-BUHFOSPRSA-N 442.942 7.285 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OCc1ccccc1C 1874603935 MTZCYTITKWUBRZ-FOWTUZBSSA-N 426.556 6.748 30 10 IKEE O=C(/C=C/c1ccc(OCCCO)c(Br)c1)c1ccc(Cl)cc1Cl 1874605883 KJDIQDCNRUKDNO-QHHAFSJGSA-N 430.125 5.413 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1OCCC 1874612759 KJZXTXWQJBLEDZ-OQLLNIDSSA-N 448.534 6.878 30 10 IKEE Cc1cccc(COc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2[N+](=O)[O-])c1 1874622804 WIKZXIQBWUDOFT-RIYZIHGNSA-N 429.516 6.676 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OCc1ccc(C(=O)OC)o1 1874627672 PZXHVPNASRQGSE-RUDMXATFSA-N 442.414 5.218 30 10 IKEE C=C(C)COc1c(OC)cc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)cc1OC 1874628599 LNULHHSGXTYVBG-VOTSOKGWSA-N 437.319 5.870 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3ccccc3)c(OC)c2)cc1Cl 1874636404 YWZUFSYSUZSUKA-PKNBQFBNSA-N 438.907 5.841 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1OC(=O)c1ccccc1Cl 1874707227 VKCADPVVCJVXMN-FYWRMAATSA-N 442.898 6.617 30 10 IKEE CCOc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)c2)cc1 1874710644 GTOLXBFIBGFILU-XNTDXEJSSA-N 428.528 6.434 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OC(=O)Cc1ccc(F)cc1F 1874713954 WTHJKFKPQXIJHE-BJMVGYQFSA-N 436.454 5.634 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2cccc(OC(=O)c3cccs3)c2)cc1Cl 1874716803 KIVJQFDWZGAFSP-BQYQJAHWSA-N 433.312 6.179 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)cc2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 1875085060 NOCZXGUNOREQKR-ONNFQVAWSA-N 425.799 5.503 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)c(F)c3)c([N+](=O)[O-])c2)cc1 1875101156 POJGROAEFZJMOW-VZUCSPMQSA-N 437.398 5.551 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(CCCC)cc2)cc1Cl 1875106836 NDZNZGSMDYWINW-GHRIWEEISA-N 426.984 7.455 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)Cc3cccs3)c(OC)c2)cc1 1875110701 XXRDVUGQYGTTSR-BJMVGYQFSA-N 442.920 5.463 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)cc2F)c(Cl)c1)c1ccc(F)cc1F 1875121108 ZQTIDUNFZQXUGB-LREOWRDNSA-N 434.772 6.012 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)[C@H]1C[C@H]1c1ccccc1Cl 1875128710 QQYQMYIUPKPIHE-FQVYWMSDSA-N 446.930 6.344 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(Cl)cc3)c(Cl)c2)ccc1F 1875141489 HGXWCXJNJAQFDN-ONNFQVAWSA-N 443.301 6.485 30 10 IKEE COCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1Cl 1875165774 YGXQAAVZAWYPHF-NTUHNPAUSA-N 436.891 5.970 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H]3CCCO3)c(Br)c2)cc1C 1875175500 SHNKYNIGUCRAAE-JLXBBBJOSA-N 429.310 5.046 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2OC)ccc1OC(=O)CCCSC 1875176853 UNZGUQZQCRZDSX-XYOKQWHBSA-N 444.549 5.047 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cc(OC)c(OC(=O)C(C)C)c(OC)c1 1875180403 LRYVFOXVNJKJEQ-BQYQJAHWSA-N 432.900 5.132 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)cc([N+](=O)[O-])c1OC(=O)C(C)C 1875188662 CWLJGOTYKTXJIU-SOFGYWHQSA-N 447.871 5.113 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)ccc1OC(=O)c1ccncc1 1875191815 FYIZZCZIYHSBIA-JXMROGBWSA-N 439.467 5.367 30 10 IKEE C#Cc1c(C)c(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c(C(=O)O)c1C 1887514201 NUUUGRNRFGXBCL-UHFFFAOYSA-N 425.484 5.652 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cccc(-c4ccccc4)c3)cc21 1891131529 URXNTYYPJZAGRT-UHFFFAOYSA-N 426.516 5.544 30 10 IKEE C=CCCCSC(C)(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1892307375 JYXVTVVKYGFSIW-JOCHJYFZSA-N 439.577 5.456 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](O)c1cccc(Br)c1Cl 1922047221 PTFOORWCUFNELE-NHCUHLMSSA-N 438.793 5.277 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@](C)(NC(=O)OC(C)(C)C)c1ccccc1 1922066805 WVOYRHMSNJYCQA-SHQCIBLASA-N 438.612 5.568 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(C)cc(Br)c1F 1926711515 NCHWDJLWSUNMAL-IEBWSBKVSA-N 441.385 5.244 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(C)cc(Br)c1F 1926711520 NCHWDJLWSUNMAL-PKOBYXMFSA-N 441.385 5.244 30 10 IKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)C1(C#N)CCC2(CC1)C[C@H]2CNC(=O)OC(C)(C)C 1996453095 FDUPPUJFSYQMHP-QCIQUOFJSA-N 435.609 5.389 30 10 IKEE CCCN[C@@H](CC#C[Si](C)(C)C)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2014157757 FBNGNMOIURCUNP-XZOQPEGZSA-N 446.708 5.126 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1CCC(C)(C)N(C(=O)OC(C)(C)C)C1 2017964636 AINPKOZELFFZED-DHIUTWEWSA-N 430.633 5.553 30 10 IKEE CC[C@@H](c1ccc(C(C)C)cc1)n1nc(C(F)F)c(C#N)c1I 2079998462 RGWWBQXCXJPBMH-AWEZNQCLSA-N 429.252 5.420 30 10 IKEE CC[C@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)(F)F)c(C(=O)OC)c1Cl 2080054551 RLOTVVPZMPRDNG-SNVBAGLBSA-N 432.723 5.499 30 10 IKEE CC(C)Oc1ccc([C@@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C(C)(C)C)cc1 2080058214 UYUAPBUDUJQGJC-LJQANCHMSA-N 448.405 5.928 30 10 IKEE COC(=O)c1c(C(F)(F)F)nn2c(Cl)cc(-c3cc(F)cc(C(F)(F)F)c3)nc12 2081201712 WKVLXTMWAFTRQU-UHFFFAOYSA-N 441.690 5.013 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C=O)(Cc1ccc(Cl)cc1Br)C2 2088511631 GQOBWHFLIATRNN-HOTGVXAUSA-N 442.781 5.392 30 10 IKEE C=C([C@H](NCCC)c1ccc(I)c(Br)c1)C(C)(C)C 2096634573 VWQQLIURNLBXJI-HNNXBMFYSA-N 436.175 5.697 30 10 IKEE CC(C)(C)OC(=O)N1[C@@H](CNc2ccc(C#N)c(Br)c2F)CCC1(C)C 2131946650 GITWZGNGVAUFCL-CYBMUJFWSA-N 426.330 5.050 30 10 IKEE CCCC#CC[C@@H](NCCC)c1ccc(I)c(Br)c1 2138963574 NBZHUMUGEWQMGB-MRXNPFEDSA-N 434.159 5.288 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)C1CC2(C1)CC(F)(F)C2 2158847772 WFXRQEDWWPKRGI-MRXNPFEDSA-N 441.316 5.908 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc(OCCNc2cccc(Br)c2C#N)c1 2162418013 LMJRXVVKNKRRRJ-UHFFFAOYSA-N 432.318 5.159 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@H](Nc3ccc(Br)cc3C#N)C[C@@H]21 2166983212 OFDBVVPXJQUDNA-LJHODMEESA-N 434.378 5.301 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](Cc2cccc(C)c2Br)NCCC)C1 2197754379 PWOXKTZVABFJLK-SFHVURJKSA-N 437.422 5.282 30 10 IKEE C=CCN(CC[C@H](NCCC)c1cc(C)c(Br)cc1C)C(=O)OC(C)(C)C 2201059757 NLHOVMWQQLJFFR-FQEVSTJZSA-N 439.438 5.920 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCC[C@H]2CCCC[C@H]21 2201124355 SMZYTSXMCCVMQG-YVHKJVDXSA-N 433.390 6.443 30 10 IKEE CC[C@@H](C)N(Cc1ccccc1)C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2243431914 QHOUPEYLKCXXLD-OAHLLOKOSA-N 433.810 5.142 30 10 IKEE C=C(C)CCCC[C@@H](NCCC)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2250185506 OJOZOYMCGARJHT-RPWUZVMVSA-N 431.665 5.516 30 10 IKEE Cc1cc(OCc2ccccc2)ccc1NC(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)o1 2281969428 AMMDCOPMZOTHOB-UHFFFAOYSA-N 447.340 5.027 30 10 IKEE C=CCCCCC[C@H](OCCCN)c1cc(Br)c(Br)s1 2294036743 UIQIIILFLYCDIL-ZDUSSCGKSA-N 425.230 5.816 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1CCC(=O)C#Cc1ccc(Br)cc1 2296275745 ADIIVGJFCWPCTA-YLJYHZDGSA-N 434.374 5.233 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@](C)(CC(C)C)NC(=O)OC(C)(C)C 2296294502 VBSWHTGRXQDQNK-DENIHFKCSA-N 437.422 5.108 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@H](C)CN(CC)C(=O)OC(C)(C)C 2296298859 OJJGAEYIQIOBMC-YLJYHZDGSA-N 437.422 5.062 30 10 IKEE COc1cccc(C=CC(=O)c2c(O)nc3ccc([N+](=O)[O-])cc3c2-c2ccccc2)c1 2296612484 JLYBIWMRLQKUMJ-UHFFFAOYSA-N 426.428 5.420 30 10 IKEE Cc1ccc(C=C2SC(=S)N(N=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1 2296835651 IVPFVTFQOUFMCQ-UHFFFAOYSA-N 449.513 5.399 30 10 IKEE CC(C)(C)OC(=O)NC1([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)CCCCC1 2302429492 VJSYKJOYOVIQHJ-IBGZPJMESA-N 435.609 5.676 30 10 IKEE CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C=Cc3ccc(Cl)cc3Cl)c2C#N)C1 2313513841 SQNXLBNMMMSKFA-CQSZACIVSA-N 433.404 6.729 30 10 IKEE O=C1C(=NNc2c(F)c(F)c(F)c(F)c2F)c2ccccc2N1CC=Cc1ccccc1 2313646608 YXOIKRWTWTZPAQ-UHFFFAOYSA-N 443.375 5.258 30 10 IKEE CCOc1cccc(C=C2Oc3cc(OC)ccc3C2=O)c1OC(=O)C=Cc1ccccc1 2314527305 OUQJZPBTMLTEJH-UHFFFAOYSA-N 442.467 5.329 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Oc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)cc1 2317256338 OANJAGBCRAGWAO-UHFFFAOYSA-N 446.740 5.174 30 10 IKEE CCCCCCCCCOc1ccc(C=NNC(=S)Nc2ccccc2)cc1OCC 2318413867 YZAJFHIYEDRFBK-UHFFFAOYSA-N 441.641 6.535 30 10 IKEE CCOc1cccc(C=Nn2c(CC)nnc2SCc2ccc(Cl)cc2Cl)c1 2318571056 BFBXQXXRJKCCLT-UHFFFAOYSA-N 435.380 5.721 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1cc(Cl)ccc1O 2321190847 NTXJKGHYGSRNLC-UHFFFAOYSA-N 427.744 5.427 30 10 IKEE Sc1nnc(Cc2cccs2)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2321958263 UEZNZLREKSIFBR-UHFFFAOYSA-N 440.981 5.334 30 10 IKEE Cc1cccc(CN2COc3cc(C)c4c(c3C2)OC(=Cc2ccc(N(C)C)cc2)C4=O)c1 2322218137 XEVKQMNGNWNMGV-UHFFFAOYSA-N 440.543 5.338 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)c1OCc1ccc(F)cc1 2322307553 ALCKTNNAXWPZII-UHFFFAOYSA-N 438.498 6.976 30 10 IKEE COCCCN1COc2c(cc3c(c2C)OC(=Cc2ccc(Cl)c(Cl)c2)C3=O)C1 2322330977 BWNRMWCNSZVNJD-UHFFFAOYSA-N 434.319 5.106 30 10 IKEE Cc1cc(OC(=O)c2ccc(F)cc2)cc2c1C(=O)C(=Cc1cn(C)c3ccccc13)O2 2322781410 BCPMMTDFIIAHID-UHFFFAOYSA-N 427.431 5.461 30 10 IKEE CCc1ccccc1NC(=O)COc1cccc(C=CC(=O)c2cc(Cl)ccc2OC)c1 2323332270 PJGXLLREDYMLOZ-UHFFFAOYSA-N 449.934 5.825 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)c(OCC(=O)N(CC)CC)c(OC)c2)cc1 2323460921 CYSQZHOSBAEKDJ-UHFFFAOYSA-N 429.944 5.054 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3c(C)cccc3C)c(Cl)c2)cc1 2323464855 UQUNKRVYJROBOA-UHFFFAOYSA-N 447.962 6.433 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccc(F)cc1 2323532088 FIPXLOPCBXHENX-UHFFFAOYSA-N 445.317 7.006 30 10 IKEE Cc1cc(OC(=O)COc2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1ccc(F)cc1)O2 2323532624 XXCIKAKVYSEOCG-UHFFFAOYSA-N 438.838 5.388 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(Cl)c2)C3=O)c1 2323839456 QYMBXAXCGPLFGK-UHFFFAOYSA-N 448.902 6.273 30 10 IKEE COc1ccc(C=NNc2nc(-c3ccccc3)c(C)s2)cc1OCc1ccc(C)cc1 2323844004 ATRRRAQUNQINFB-UHFFFAOYSA-N 443.572 6.461 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)OCC(C)C)c(Cl)c2)c(C)c1C 2324304846 FREHYSOINRALLA-UHFFFAOYSA-N 430.928 5.440 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OCc3cccc(F)c3)c([N+](=O)[O-])c2)cc1C 2324637558 MIBYNXIYVBBBNM-UHFFFAOYSA-N 435.451 5.834 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)cc(Cl)c1OCCO 2324684712 SLVBGFOGODKGAM-UHFFFAOYSA-N 426.896 5.168 30 10 IKEE Cn1cc(C=C2Oc3cc(OCc4cccc5ccccc45)ccc3C2=O)c2ccccc21 2325272621 NPGVUHOJKYNTAF-UHFFFAOYSA-N 431.491 6.527 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc(F)cc1)C2=O 2325494363 OGGSDYCMINZTHJ-UHFFFAOYSA-N 431.463 5.385 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2cc(Br)c(O)c(Br)c2)c1C 2325795834 NHJQWVMPQAMIOF-UHFFFAOYSA-N 438.159 6.047 30 10 IKEE CCOc1c(Cl)cc(C=Nn2c(CC)nnc2SCc2ccccc2F)cc1OC 2326269284 REZALXOAVQOXGZ-UHFFFAOYSA-N 448.951 5.215 30 10 IKEE Cc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2326322630 BKZJGQGDZZIFNQ-UHFFFAOYSA-N 443.960 5.620 30 10 IKEE CCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1ccc(C(C)(C)C)cc1 2326331533 FWPIIXWKTWBFDM-UHFFFAOYSA-N 448.680 7.000 30 10 IKEE CCOc1ccc(OCc2nnc(SCC)n2N=Cc2c(F)cccc2Cl)cc1 2326660381 NLMOJABFNQCWCC-UHFFFAOYSA-N 434.924 5.043 30 10 IKEE CCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1ccc(OC)c(OC(C)C)c1 2326681257 IKCQWHLJZWDBPH-UHFFFAOYSA-N 449.580 5.073 30 10 IKEE C=CCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(OCC)cc1 2327770657 OFDDRPCQFLDQHX-UHFFFAOYSA-N 428.561 5.581 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2cccc(F)c2)cc1C 2329430471 YGVJWPLIGHCKRP-UHFFFAOYSA-N 444.579 5.842 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3F)n2N=Cc2ccccc2F)c1 2329717225 BSUCGDQVYIEOBH-UHFFFAOYSA-N 434.515 5.630 30 10 IKEE CCCSc1nnc([C@H](C)c2ccccc2)n1N=Cc1cc(Br)ccc1F 2330123563 PBJLVYWLLVXVIW-CQSZACIVSA-N 447.377 5.716 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC3CCCCC3)n2N=Cc2cccc(F)c2)c1 2330271417 DEVKWLAYULCBDC-UHFFFAOYSA-N 436.600 6.331 30 10 IKEE COc1ccc(C=Nn2c(Cc3cccs3)nnc2SCc2ccccc2F)cc1 2330390359 OVOSDZLLAPZKQX-UHFFFAOYSA-N 438.553 5.253 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(-c3cccs3)n2N=Cc2ccccc2)c1 2330548525 BFUDLTLIKIHMGE-UHFFFAOYSA-N 447.589 5.236 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1OC 2330705352 JOIOHEIBHHBYTF-UHFFFAOYSA-N 448.603 7.126 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Br)c2)ccc1OC(=O)CC(C)C 2331005439 PNNLXGCOYJLASN-UHFFFAOYSA-N 431.326 5.695 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)cc([N+](=O)[O-])c1OC(=O)C1CCCC1 2331129756 XYXWXEGXDIXSAX-UHFFFAOYSA-N 443.883 5.639 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3F)c(Br)c2)cc1 2331271580 VITUIGYDBOEZFY-UHFFFAOYSA-N 439.280 6.012 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)CCCOc1ccccc1C 2331293178 DEFPJOKWPRGKKM-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)c1cnccn1 2331324449 BVLKICPBTPWLIN-UHFFFAOYSA-N 436.895 5.261 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2331345438 KMTBQDHBQUSTPC-UHFFFAOYSA-N 449.434 5.556 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(F)c2)ccc1OC(=O)c1cc(C)cc(C)c1 2331464003 OFCFIJBJZFQJBL-UHFFFAOYSA-N 448.490 5.965 30 10 IKEE CCCCCCC(=O)Oc1c(OCC)cc(C=CC(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 2331532399 VLDJYNJYHUJEGB-UHFFFAOYSA-N 443.471 5.905 30 10 IKEE CCCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1N=Cc1ccc(Cl)cc1 2331630288 QBHLEPZIHICJPZ-UHFFFAOYSA-N 441.988 5.114 30 10 IKEE CC(C)c1nnc(SCc2ccccc2F)n1N=Cc1cc(Br)ccc1O 2331698531 KNCZIARKHVVRBO-UHFFFAOYSA-N 449.349 5.183 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2Cl)c1 2331706370 ILFTVSAQCLTJLH-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)c1ccccn1 2331709886 CGRHDMNPHABSHM-UHFFFAOYSA-N 427.500 5.551 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c(OC)c2OC)cc1Cl 2331885767 JTFOZEVTOFTIAA-UHFFFAOYSA-N 432.900 5.358 30 10 IKEE N#Cc1nnn(Cc2cccc(Cl)c2)c1NC(=O)C(=Cc1ccccc1)c1ccccc1 2332148832 KFFUSIAHUUIZDL-UHFFFAOYSA-N 439.906 5.031 30 10 IKEE CCN[C@H](C#CC1CC1)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2337423889 FNSQUHKWYJPPRD-UHSQPCAPSA-N 441.571 5.270 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](N)c1c(C)c(C)c(Br)c(C)c1C 2345960368 WOGXIDGLHRORGW-APWZRJJASA-N 425.411 5.542 30 10 IKEE C=CCCC1(C(=O)Nc2ccc(C)c(C)c2Br)CN(C(=O)OC(C)(C)C)C1 2361762988 IHAAKHLMXOUAGP-UHFFFAOYSA-N 437.378 5.208 30 10 IKEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1c(Cl)ccc(Cl)c1Cl 2364579888 IBUMBXNCWOLUMM-OAHLLOKOSA-N 434.795 5.790 30 10 IKEE C=CCCCC[C@@H](OCCC(=O)O)c1sc(Cl)cc1I 2366705992 BUNNMQXZMSWZOD-LLVKDONJSA-N 428.719 5.285 30 10 IKEE CC1(C)OB(C=Cc2ccc(SCc3ccccc3Br)nc2)OC1(C)C 2366975502 JEMUDZXTRFSZGZ-UHFFFAOYSA-N 432.192 5.781 30 10 IKEE CC1(C)Cc2c(sc(NC(=O)C(c3ccccc3)c3ccccc3)c2C#N)C(C)(C)N1 11163500 NGRKVBBESJHWKC-UHFFFAOYSA-N 429.589 5.550 30 10 IKEE C[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@H]2c1ccc(F)cc1 17094856 JWFZROWXQOYMQA-QUGAMOGWSA-N 426.491 5.892 30 10 IKEE O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1cccc(Cl)c1Cl)Nc1ccccc1N2 21231136 UZBDQMWPRYHQGN-ZLOXQWCVSA-N 441.383 7.034 30 10 IKEE CCCCOc1ccc(/C=C2\CN(C)C/C(=C\c3ccc(OCCCC)cc3)C2=O)cc1 25157840 LMQMJYFVRFKJSJ-SIHVKLMXSA-N 433.592 6.026 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(Cl)cc2)c1 33416540 UYCXRBLANQJUCK-OAQYLSRUSA-N 437.879 5.110 30 10 IKEE CCOc1ccc2oc(C)c(C(=O)Oc3ccccc3/C=C\C(=O)c3ccccc3)c2c1 34954044 TZVHYECMAQUYPZ-SQFISAMPSA-N 426.468 6.255 30 10 IKEE COc1ccc(C(=O)/C=C\c2cccc(OC(=O)c3ccc(C(C)(C)C)cc3)c2)c(OC)c1 34955192 DEMQYWGTSKJVIH-SXGWCWSVSA-N 444.527 6.117 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OCc3ccc(Cl)cc3Cl)ccc2C1=O 39754087 KZAVCYFSIIKNPH-YVNNLAQVSA-N 427.283 6.197 30 10 IKEE C=CCc1ccccc1OCCCn1c(/C=C/c2ccc(Cl)cc2)nc2ccccc21 40238560 QSRFLBZRCDJXDH-OBGWFSINSA-N 428.963 7.058 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(C(C)C)cc1)C3=O)CN([C@@H](C)c1ccccc1)CO2 41587215 QAILXZDWGLSQEF-ANRZFROFSA-N 439.555 6.648 30 10 IKEE CCCCCCCOc1ccc(CNc2cccc(OCCOc3ccccc3)c2)cc1 100036489 NMOKYWAVACFAKT-UHFFFAOYSA-N 433.592 7.106 30 10 IKEE CCCCCCCCCCCCCCCCCCCCCC(=O)NCCc1ccccc1 100461765 LQGGTHMVCAITRE-UHFFFAOYSA-N 443.760 9.167 30 10 IKEE CCCCCCCCCCCCCCCCCCC/N=C\c1cc([N+](=O)[O-])ccc1O 102108820 WTTXFMRCAADCEA-VYIQYICTSA-N 432.649 8.371 30 10 IKEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccccc2)cc1 102509235 CULBWZKLZZUWJE-RKKARLDVSA-N 440.524 5.539 30 10 IKEE CCCN1C(=S)N[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)c2ccccc2)=C1C 169928773 YLYNXAZKOXGNMN-HSZRJFAPSA-N 438.593 5.282 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2cc(C)cc(C)c2)c1 169930068 FMKCVLIUTQCQHK-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1cccc(C)c1 169971496 QHTFPVDAFUBSGF-QFIPXVFZSA-N 435.426 5.065 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2cccs2)cc1C 169984003 BKKGWYPGICYETF-HXUWFJFHSA-N 441.455 5.126 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1 170051978 BUZNWTUFGYSIOE-OAQYLSRUSA-N 438.310 6.085 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccccc2C)cc1 170088905 KTDOWYYOWGXFGG-VWLOTQADSA-N 427.500 5.106 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@@H]1c1cccc(C)c1 170147328 ZTPMADNWJXHQFW-NRFANRHFSA-N 427.928 5.426 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)cc(OC)c3o2)[C@@H]1c1cccs1 170165432 OCLUMOYXBHBDKL-KRWDZBQOSA-N 431.897 5.145 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccn2)c1 170169022 IQYLXJKXCCYXGB-HSZRJFAPSA-N 446.478 5.038 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2cccnc2)c1 170190141 DQQVYEMDGDNUCW-XMMPIXPASA-N 436.467 5.032 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2)ccc1Cl 170231351 TWDAIWMSBIWYSO-NRFANRHFSA-N 425.912 5.260 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@H]1c1ccc(C(C)C)cc1 170245386 GFPTZPGJSZQLAS-OAQYLSRUSA-N 427.928 5.460 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@@H]1c1cccc(O)c1 170263353 OPQDTHAMMQVQJN-NRFANRHFSA-N 443.927 5.213 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1ccccc1C 170273293 CBPYIDWVDZCRHQ-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2Cc2cccs2)o1 170298150 ZFUWOYZNXAXRGJ-QFIPXVFZSA-N 449.572 6.034 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccc3ccccc23)c1 170369219 ASPMNGAFXJOBGL-RUZDIDTESA-N 435.479 5.631 30 10 IKEE COc1ccc(CN2C(=O)/C(=C\c3ccc(SC)cc3)SC2=Nc2ccccc2)cc1 252594018 BONVVIFJTJKCFX-MPVWDOOLSA-N 446.597 6.221 30 10 IKEE Clc1ccccc1/C=C\C=Nc1ccc2oc(-c3cccc(Br)c3)nc2c1 252594602 BTYMLZPPNWAYDA-DUGMZGOWSA-N 437.724 7.326 30 10 IKEE CCCCCOc1ccc(C(=O)Oc2ccc(N=Cc3cccc([N+](=O)[O-])c3O)cc2)cc1 254555937 SVZHPHMWHVHHTJ-UHFFFAOYSA-N 448.475 5.839 30 10 IKEE CC[C@@H]1CCc2c(sc(N=Cc3ccc(Cl)cc3)c2C(=O)NC2CCCCC2)C1 254744890 ZRNPRINBFFCLDN-MRXNPFEDSA-N 429.029 6.730 30 10 IKEE CC(=Nn1c(COc2cc(C)ccc2C(C)C)nc2ccccc2c1=O)c1ccc(N)cc1 254808322 QAVDOSNHUDWOPS-UHFFFAOYSA-N 440.547 5.262 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccccn2)cc1Cl 526489712 BQPFDENAZIKDPT-JOCHJYFZSA-N 431.879 5.063 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(O)cc2)c1 526517245 UNKRZBJJIYQSQO-XMMPIXPASA-N 426.472 5.110 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(O)cc2)c1 526606104 VWLVWPYCGJOBBZ-VWLOTQADSA-N 440.499 5.500 30 10 IKEE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccccc2C#N)[C@H]1c1ccc(C)cc1 526610244 XIHTYRNYBCIHTK-DEOSSOPVSA-N 440.499 5.331 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1/N=C\c1ccc(Cl)c([N+](=O)[O-])c1 526799650 ILKMZPJKOYHIBY-XKZIYDEJSA-N 429.933 5.357 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2cccs2)c(C)c1 526812269 MBOVQFASFLKUDR-XYGWBWBKSA-N 432.618 5.916 30 10 IKEE CCc1nnc(SCc2ccccc2Cl)n1/N=C\c1c(OC)ccc2ccccc12 526816912 PUXTWPBHTGWEEK-QFEZKATASA-N 436.968 5.830 30 10 IKEE CCOc1ccc2ccccc2c1/C=N\n1c(CC)nnc1SCc1cc(C)ccc1C 526818307 BQSMHQKRJSSFCB-YUMHPJSZSA-N 444.604 6.184 30 10 IKEE N#Cc1cccc(CN(c2ccccc2F)S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 586241502 PQEOLLHZUINGRR-UHFFFAOYSA-N 435.307 5.400 30 10 IKEE C=C(CC)C[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCCC 686830497 CMISDCOHJFMWKY-DEOSSOPVSA-N 443.676 5.661 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1cc(F)c(F)cc1F 698459460 XJGRWKHMYIMLJK-KRWDZBQOSA-N 441.247 5.873 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]([C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 699658289 JWLWPPWSRVBWEV-BXKMTCNYSA-N 447.551 5.497 30 10 IKEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(Br)ccc1Cl 700615294 FEUROWFMGXYDDM-QGZVFWFLSA-N 444.801 5.246 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCCC[C@@H]1C(C)(C)C 710752914 UZITWODAPCFIEQ-GCJKJVERSA-N 435.406 6.689 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C1 724029040 OTAYWDZRKBSKEV-UZUQRXQVSA-N 449.979 5.811 30 10 IKEE COc1cc(C=Nc2ccc(C(=O)O)c(Cl)c2)ccc1OCc1cccc(C(=O)O)c1 1084577586 ITLDANMEPWHSFU-UHFFFAOYSA-N 439.851 5.075 30 10 IKEE O=C(NC1CCCCC1)c1c(N=Cc2ccc(Cl)cc2Cl)sc2c1CCCC2 1565518828 HGFCINQORDMBLD-UHFFFAOYSA-N 435.420 6.747 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)SC1=Nc1cccnc1 1772731362 LFQAGZIDJYELTJ-MBTIHVDPSA-N 449.963 5.938 30 10 IKEE O=C1NC(=NN=Cc2ccc(-c3ccccc3)o2)S[C@H]1Cc1ccc(Cl)c(Cl)c1 1772742362 OHKJIKWPKJBZIT-IBGZPJMESA-N 444.343 5.418 30 10 IKEE Cc1sc(NC(=O)CCCOc2ccc(Br)cc2Cl)c(C#N)c1C 1859477762 KVTYRCFRRGPXKF-UHFFFAOYSA-N 427.751 5.450 30 10 IKEE N#Cc1cccc(C(=O)Nc2ccc(Cl)c(NC(=O)c3ccc(Cl)cc3F)c2)c1 1860460997 ZXCYQOVCVFJOPT-UHFFFAOYSA-N 428.250 5.509 30 10 IKEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)Sc3nc(-c4ccccc4)cs3)cc21 1860795988 XWCSPQZGWXIDBV-HNNXBMFYSA-N 436.558 5.085 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)c1cccc(Cl)c1 1861048170 JBZFFQKJZXEWBS-HXUWFJFHSA-N 427.054 5.448 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)CCc1ccc(C)cc1)c1ccccc1 1861085979 WENLBHFNFUTXJF-HHHXNRCGSA-N 436.640 6.042 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)[C@H](C)CC 1861132148 SYYAAKQUDHWYTP-IZADLUFESA-N 445.604 5.396 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)c1ccc2nc(CCC)[nH]c2c1 1861453341 HSOYYDQCQQPIHY-QFIPXVFZSA-N 442.648 5.671 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOCC)[C@@H]2c2cccc(C)c2)cc1 1862389951 RJLRYIKWXIOAQW-XMMPIXPASA-N 435.564 5.343 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(F)cc1 1862430178 DWRUWBYHVYEFQF-XWRIVVANSA-N 427.903 5.636 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(OCC)c1 1862447163 JVJJVEUIIVFSBP-QFIPXVFZSA-N 441.955 5.897 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 1862477158 STWYTAYUSLRJHC-QHCPKHFHSA-N 447.918 5.306 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 1862478679 NUWOSXILSYQPEI-QHCPKHFHSA-N 448.519 5.594 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)cc1 1862492839 BDUXAKRQOVSTBP-RZPHLTDDSA-N 447.575 5.859 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(C(F)(F)F)cc1 1862495863 WTUCMLKJTLTHRM-MGPUTAFESA-N 431.454 5.699 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc(C(F)(F)F)cc2)c1 1862498431 IFZAQKYNENOHGI-OAQYLSRUSA-N 445.481 5.947 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(Cl)cc2)ccc1F 1862503401 WVHPANBILYYOEJ-QHCPKHFHSA-N 449.909 5.609 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccccc1C 1862524110 XJZJRGQPCWNQJI-KUHUBIRLSA-N 428.326 5.134 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2ccc(CC)cc2)cc1 1862530579 SQBSITLILGNPMV-SANMLTNESA-N 439.555 5.898 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccccc2F)cc1 1862530616 UQLGNQPFPYUSNO-BXKMTCNYSA-N 429.491 5.728 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2c(F)cccc2Cl)cc1 1862531062 FKPVCVXBTKJGOW-HSZRJFAPSA-N 449.909 5.820 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(OC)c(O)c2)cc1 1862531487 OMANZSQJCOAKKY-XMMPIXPASA-N 449.547 5.264 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)cc1 1862532767 GEMCEQDBAYRMND-FMNCTDSISA-N 447.575 5.805 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862539640 ZWDFNZOCLVDTHT-FQEVSTJZSA-N 432.347 5.934 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 1862616339 QEIMIQUYMCCTEA-UPVQGACJSA-N 447.575 5.304 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2[C@H](C)c2ccccc2)c1 1862625981 RHAWVZLAWBFSNK-MZNJEOGPSA-N 441.483 5.063 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C2CCCCCC2)c1 1862648490 CNFKNIPAELOGTR-AREMUKBSSA-N 439.555 6.449 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CC(C)C)cc1 1862669787 FKBWQELKLQUHQX-VWLOTQADSA-N 449.591 6.223 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCc2ccc(F)cc2)cc1 1862673923 RCTRJLSZYXWRMU-DEOSSOPVSA-N 447.481 5.348 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1c(F)cccc1Cl 1862679067 ZLRJFLFSDQRVSU-HXUWFJFHSA-N 433.882 5.777 30 10 IKEE CCC[C@@H](NC(=O)c1ccc(-c2cc3ccccc3[nH]2)cc1)C(=O)Nc1ccccc1C#N 1867062142 OUINCUFCIMOLTP-XMMPIXPASA-N 436.515 5.244 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)C(c2ccccc2)c2ccccc2)n(-c2ccccc2)n1 1870001812 VLUGNZCNPJFYKB-UHFFFAOYSA-N 449.558 5.216 30 10 IKEE C=CCOc1cn(Cc2cccnc2)c(CNc2cc(C(C)C)cc(C(C)C)c2)cc1=O 1870810428 BZPCLRCAJGVAAZ-UHFFFAOYSA-N 431.580 5.715 30 10 IKEE CCCCCCCOc1cn(CCN(CC)CC)c(CNc2cc(C)cc(C)c2)cc1=O 1870837711 UQXTTWHGEBMRAA-UHFFFAOYSA-N 441.660 5.768 30 10 IKEE O=C1/C(=C/c2cccs2)Oc2c1ccc1c2CN(Cc2cccc(C(F)(F)F)c2)CO1 1871345206 XRHCPPZFUDXFOE-JMIUGGIZSA-N 443.446 5.735 30 10 IKEE CCCCCN1COc2c(cc3c(c2C)O/C(=C\c2cn(CC)c4ccccc24)C3=O)C1 1871352398 GWPZRIMSENUVPQ-OYKKKHCWSA-N 430.548 5.928 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OC(=O)CCc3ccc(Cl)cc3)ccc2C1=O 1871368833 QIDJORLRLQHVQS-IWIPYMOSSA-N 448.902 5.893 30 10 IKEE Cc1cc(OC(=O)Cc2ccc(F)cc2)cc2c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O2 1871371759 HITWOIVWQQWSRB-CFRMEGHHSA-N 430.475 6.022 30 10 IKEE Cc1cc(OC(=O)Cc2cccc3ccccc23)cc2c1C(=O)/C(=C/c1cccc(F)c1)O2 1871376296 DEMXOMCJYJRVDE-QFEZKATASA-N 438.454 6.052 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)c1 1871389028 GSDJLVZIQVZCAM-UUYOSTAYSA-N 448.858 5.491 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1ccco1)C2=O)Nc1cc(Cl)cc(Cl)c1 1871452259 BKOSARGTAWFXRZ-GRSHGNNSSA-N 430.243 5.220 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)c1C 1871458598 DCYOBDOXTGHJCY-FMCGGJTJSA-N 433.891 5.591 30 10 IKEE CCCCCCCCN=c1nc(N(CC)CCCC)[nH]c(=NCCCCCCCC)[nH]1 1871468652 FRAAWUZPUXDQQC-UHFFFAOYSA-N 434.717 5.887 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(CCCC)cc1)c1ccccc1)S(=O)(=O)CCC 1871832724 COUFHOOELJJESP-DEOSSOPVSA-N 442.625 5.327 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@@H](C)CC)S(=O)(=O)CCC 1871854791 BWKGIUYAOVETPJ-CVDCTZTESA-N 444.597 5.060 30 10 IKEE Cc1cc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(Cl)cc3Cl)n2)ccc1F 1872773296 YGYICHGXUJQKLP-IEXSPKMKSA-N 431.319 6.454 30 10 IKEE CC(C)c1csc([C@H](C#N)C(=O)CCCOc2ccc(Cl)cc2Br)n1 1872773945 CEJCPQREDUKJIG-CYBMUJFWSA-N 441.778 5.718 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@H](C#N)C(=O)/C=C\c2ccc(Cl)cc2)n1 1872783887 KILABTSQXHVTBW-CTEOGUNLSA-N 443.355 6.324 30 10 IKEE C=CCN=c1nc2c(cnn2-c2ccccc2)c(Nc2cc(Cl)c(Cl)cc2Cl)[nH]1 1873469717 DELWWLUPVZCVBJ-UHFFFAOYSA-N 445.741 5.539 30 10 IKEE CCCOc1ccc(/C=N/Nc2oc([C@@H]3C[C@H]3c3ccccc3)nc2C#N)cc1OCC 1873470283 DVHDFXMCQVEHIX-MIGLFNJFSA-N 430.508 5.451 30 10 IKEE CCCCCCCCCCNC(=O)c1cc2c(N(C)CCCC)ncnc2n1CCOC 1873590986 PGNODOWOLZEGRL-UHFFFAOYSA-N 445.652 5.185 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1cc(C)ccc1C)n2CCCC 1873621622 ZTZHYVQGBPMFFH-UHFFFAOYSA-N 449.643 6.873 30 10 IKEE C=CCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccccc1 1874193883 MWLYGTBACNKNRJ-PCLIKHOPSA-N 441.000 5.720 30 10 IKEE CCCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1cccc(F)c1 1874203240 ROPPICXIHGBJOU-CVKSISIWSA-N 440.588 5.986 30 10 IKEE C=CCSc1nnc(COc2ccc(OC)cc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874293798 VOXNKLHJEDFTQM-FSJBWODESA-N 449.363 5.333 30 10 IKEE C=C(C)CSc1nnc(COCc2ccccc2)n1/N=C/c1c(F)cccc1Cl 1874355526 OGAHYEXLQAFWLL-BHGWPJFGSA-N 430.936 5.338 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2F)n1/N=C/c1ccccn1 1874362375 BIBZMXHIFKEORK-JVWAILMASA-N 431.540 5.080 30 10 IKEE FC(F)(F)c1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2cccs2)cc1 1874422222 AOVHZVBSKOPTID-DHRITJCHSA-N 444.507 6.200 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2-c2ccccc2)cc1OC 1874427200 WBCYWJWKMINHLM-CVKSISIWSA-N 448.523 5.276 30 10 IKEE Fc1cccc(CSc2nnc(-c3ccccc3)n2/N=C/c2c(F)cccc2Cl)c1 1874427272 ZSNNISVHCZAVGV-LGJNPRDNSA-N 440.906 6.051 30 10 IKEE COc1cccc(/C=N/n2c(SCCc3ccccc3)nnc2-c2ccccc2)c1OC 1874428665 VQWSUQDYXRWJHO-NLRVBDNBSA-N 444.560 5.179 30 10 IKEE Clc1ccc(/C=N/n2c(SCc3ccccc3)nnc2C2CCCC2)cc1Cl 1874454508 HODRTGTVYKPCTB-ZMOGYAJESA-N 431.392 6.417 30 10 IKEE Clc1ccccc1CSc1nnc(C2CCCC2)n1/N=C/c1c[nH]c2ccccc12 1874455992 VDGFAOXBDUNQQL-VULFUBBASA-N 435.984 6.245 30 10 IKEE CC(C)Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1cccc2ccccc12 1874488339 RDSCMVAVMUHATA-MFKUBSTISA-N 445.548 5.713 30 10 IKEE COc1ccc(OC)c(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C2CC2)c1 1874522640 DBYJGWLSCKRCNA-BHGWPJFGSA-N 446.935 5.140 30 10 IKEE Cc1ccccc1COc1ccc(Br)cc1/C=C/C(=O)c1ccc(Cl)cc1 1874577459 OIUBHFKXSKTSKY-XYOKQWHBSA-N 441.752 6.886 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3ccc(Cl)cc3)c2)cc1F 1874597427 LQQXSJWHSODRTH-BJMVGYQFSA-N 426.871 5.971 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(CC)cc3)cc2Cl)cc1 1874604673 ZNDWCRLIIAELNT-OQLLNIDSSA-N 447.962 6.378 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)cc1F 1874621405 FEVPULYSJUFSTD-XYOKQWHBSA-N 433.479 5.365 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(Cl)c1OCc1ccccc1F 1874623492 FVWRTQFCOVDJCZ-BUHFOSPRSA-N 446.905 7.116 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(F)c(F)c3F)c2)c1 1874694587 KXUYBMMGSYWZIG-UXBLZVDNSA-N 442.389 5.236 30 10 IKEE Cc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)c2)c(C)c1 1874705915 GOPZGEUBWWOPSW-XNTDXEJSSA-N 442.555 6.481 30 10 IKEE CCc1ccccc1OCC(=O)Oc1cccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c1 1874706244 XCYPDMBVBNTGBS-QGOAFFKASA-N 442.555 6.427 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)COc3cccc(C)c3C)c2)c(C)c1 1874716471 UEKBRTRMOUAULW-OUKQBFOZSA-N 428.528 6.109 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] 1875088201 QBQOPHSIRVWTKV-PKNBQFBNSA-N 438.436 5.275 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c(OC)c2)c1 1875104458 YOYVMCQHUWZHRN-YRNVUSSQSA-N 447.443 5.036 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)cc([N+](=O)[O-])c1OC(=O)C1CCC1 1875111432 BHGCBXBALMMJQR-ZHACJKMWSA-N 429.856 5.249 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1)c1ccc(-n2cccc2)cc1 1875111675 NORGSLOWUGESQZ-CXUHLZMHSA-N 427.887 6.246 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)cc2)cc1OC 1875115029 JBUDFRDACPQEAG-OQLLNIDSSA-N 446.499 5.147 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)Cc1ccccc1 1875120459 VCJPOGQGQAGXKR-DHZHZOJOSA-N 438.426 5.026 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccncc3)cc2)cc1OCCC 1875123816 GIGYTOYXRSDIMZ-YRNVUSSQSA-N 445.515 5.775 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)c1sccc1C 1875131304 QIKRAAIVAYEMOI-SOFGYWHQSA-N 440.948 6.451 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)c1cccnc1 1875142652 NESSEHUSCZBKMU-DHZHZOJOSA-N 431.463 5.382 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)c1cc(C)cc(C)c1 1875148554 HRLNSXFLDKVVCR-QPJJXVBHSA-N 444.483 5.199 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1)c1ccc(-n2cccc2)cc1 1875154265 WEAQCJDKRAODLT-XDHOZWIPSA-N 443.502 6.746 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2OCC)cc1 1875159001 XCWHKTTWRNLQDR-VIZOYTHASA-N 448.490 5.667 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OC(=O)C(C)(C)C)c([N+](=O)[O-])c1 1875180311 QYCUPPIDDWQREU-SOFGYWHQSA-N 431.872 5.413 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)ccc1OC(=O)C1CCC1 1875180577 ZEMLRRUNYGKUGZ-CSKARUKUSA-N 428.912 5.657 30 10 IKEE COC(=O)c1cc(N=[N+]=[N-])c(C)c(NC(=O)OCC2c3ccccc3-c3ccccc32)c1 1887520781 DYQTYGQATOHPRD-UHFFFAOYSA-N 428.448 6.084 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)Nc3ccc(Br)cc3)cc21 1891126932 NTNLDQVZMZRCNM-UHFFFAOYSA-N 444.329 5.031 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)OC(C)(C)C 1922085268 HPEACXAWAYFCPA-LWSSLDFYSA-N 428.617 5.306 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@@H](C)c1ccc(NC(=O)OC(C)(C)C)cc1)NCC 1922126771 VYKINTMALNJRBM-NLFFAJNJSA-N 438.612 6.278 30 10 IKEE C=C([C@H](NCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br)[Si](C)(C)C 1923048690 XGZCBIVARJUILR-KRWDZBQOSA-N 427.459 5.880 30 10 IKEE CCCCCCCC(=O)c1c(Br)sc(Br)c1Br 1924594019 JXWDHXUHKLICEH-UHFFFAOYSA-N 447.030 6.579 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1945530085 ZAXJINFNUXBOQM-AYOQOUSVSA-N 449.979 5.619 30 10 IKEE C=C1CCC(C[C@@H](C[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)NCC)CC1 1947489671 WXLMTQNLFPYPMK-ZEQRLZLVSA-N 430.633 5.601 30 10 IKEE CCCCCCCCCC[C@H](O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1947500567 UKXUGYKMRXAKLI-RPWUZVMVSA-N 435.649 6.378 30 10 IKEE CC[C@@H]1N(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1991578992 MSAJRQKDCUNOJE-HTAPYJJXSA-N 435.952 5.373 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2032216162 GDJYYIMKOUFYKJ-DFBJGRDBSA-N 449.636 5.924 30 10 IKEE Cc1ccc(/N=N/C(=NNc2ccc(C)cc2)c2ncc(C(F)(F)F)cc2Cl)cc1 2059955222 XKWBOQVHSLRVGV-VBZWJBBYSA-N 431.849 6.928 30 10 IKEE C=CCC1([C@@H](NCCC)c2ccc(Br)s2)CN(C(=O)OC(C)(C)C)C1 2072353868 BKELWWZITNUQJU-INIZCTEOSA-N 429.424 5.365 30 10 IKEE Cc1ccc([C@H](C(C)C)n2nc(C3CC3)c(/C=N/O)c2I)c(C)c1 2079035199 ZRNVLXFZYMAMLQ-FWOHHPOZSA-N 437.325 5.035 30 10 IKEE CCOC(=O)c1c(C(C)(C)C)nn(-c2ccc(C(F)(F)F)c(F)c2)c1C(F)(F)F 2079035226 ABVPODOMJSUDQJ-UHFFFAOYSA-N 426.332 5.523 30 10 IKEE CCc1ccc([C@@H](n2nc(C(C)(C)C)c(C#N)c2I)C2(C)CC2)cc1 2079116901 VIIBPRZCHLUQEG-GOSISDBHSA-N 447.364 5.609 30 10 IKEE CC(C)(C)c1nn(Cc2cccc(C(F)(F)F)c2F)c(C(F)(F)F)c1Br 2079138962 NPRHABBYTXNVFH-UHFFFAOYSA-N 447.192 6.168 30 10 IKEE CC[C@@H](c1ccc(C)c(F)c1F)n1nc(C(C)C)c(C#N)c1I 2079875696 XYSPJYNGJWJRIJ-ZDUSSCGKSA-N 429.252 5.069 30 10 IKEE CC1([C@H](c2ccc(C(F)(F)F)cc2F)n2nc(C(F)(F)F)c(C(=O)O)c2Cl)CC1 2079970016 MKYUOLZJBWFLID-LBPRGKRZSA-N 444.734 5.801 30 10 IKEE CCCOc1ccc([C@H](C2CCC2)n2nc(C3CCC3)c(C=NO)c2Br)cc1 2080064091 NSGQKYBSDLFOEZ-NRFANRHFSA-N 446.389 5.900 30 10 IKEE CCCOc1ccc([C@@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C(C)(C)C)cc1 2080078833 YUCRKJRQVOLZBW-LJQANCHMSA-N 448.405 5.930 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CCC1CCC(NC(=O)OC(C)(C)C)CC1)NCCC 2084627863 OWZPIKOLZNJCBV-PUOLSWATSA-N 444.660 5.991 30 10 IKEE Cc1ccnc(Nc2cc(Br)c(Br)c(Br)c2)c1C#N 2095446263 SJDYBVORAWIIMK-UHFFFAOYSA-N 445.940 5.293 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCC(C)(C)C[C@H]2OCc2ccccc2)cc1 2105746490 ASWKPTBJGFABJV-YWEHKCAJSA-N 448.607 6.794 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H](Nc2cc(Br)cc(F)c2C#N)CCC1(C)C 2107451651 WJGLOPXCMTWCHE-ZDUSSCGKSA-N 426.330 5.050 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1cccc(F)c1Cl 2119568777 NYWQUKQKRFJVRG-MRXNPFEDSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCCC[C@@H]1C(F)(F)F 2144654896 QGRFSFMJHKGYSW-MAUKXSAKSA-N 447.295 6.205 30 10 IKEE CC(C)(C)OC(=O)NCc1ccc(CNc2ccc(C#N)c(Br)c2)c(F)c1 2162386879 HPBBOCBVZGQYJH-UHFFFAOYSA-N 434.309 5.097 30 10 IKEE CC(C)(C)OC(=O)N1CCc2cc(Nc3cc(Br)cc(F)c3C#N)ccc21 2163709100 SBTSKKOKVROXQT-UHFFFAOYSA-N 432.293 5.501 30 10 IKEE CN(c1ccc(C#N)c(Br)c1F)[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21 2190462353 UOSRQHXPZFHSMK-JRBPQWBISA-N 429.333 5.280 30 10 IKEE C#CC[C@@H](C[C@H](NCC)c1cc(Br)ccc1I)C1CC1 2196855586 DEMMYAANRPFDSK-GUYCJALGSA-N 446.170 5.144 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)[C@H]1C[C@@H]1C1CCOCC1 2200300914 YNUSDLDFJMFZHR-CEXWTWQISA-N 435.362 5.145 30 10 IKEE CC1CCC(CNc2ccc(C#N)c(Br)c2F)(NC(=O)OC(C)(C)C)CC1 2201473303 CUGHKXGLWAQDDS-UHFFFAOYSA-N 440.357 5.345 30 10 IKEE C[C@H](c1cccs1)N(Cc1ccccc1)Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2214520646 OWYQPSVLAZQHCT-GOSISDBHSA-N 439.455 5.872 30 10 IKEE C=C(Br)CCOc1c(Br)cc(Cl)cc1CN[C@H](C)CC 2240222163 MBMUXFJPANSRMD-LLVKDONJSA-N 425.592 5.668 30 10 IKEE CC1(C)OB(c2cc(C(=O)N(Cc3ccccc3)C3CCCC3)sc2Cl)OC1(C)C 2247822382 DKWOVEFTEFLABH-UHFFFAOYSA-N 445.821 5.286 30 10 IKEE C=CCCC1([C@H](N)Cc2cccc(Br)c2Cl)CN(C(=O)OC(C)(C)C)C1 2266321576 XROMPENPVSZYGB-MRXNPFEDSA-N 443.813 5.176 30 10 IKEE O=C1C(=C2C(=O)c3ccc(Cl)c4c(Cl)ccc2c34)Sc2cc3ccccc3cc21 2293308597 DPGLOCIWCWIAST-UHFFFAOYSA-N 433.315 7.196 30 10 IKEE CCCCCCCCC[C@H](C)NCc1scc(Br)c1Br 2295674969 WXQBTKASRWFCOL-ZDUSSCGKSA-N 425.274 6.892 30 10 IKEE CN[C@@H](C#Cc1cccc(Br)c1)c1ccc(NC(=O)OC(C)(C)C)c(Cl)c1 2296217194 ROUQSHNBBJGOFS-SFHVURJKSA-N 449.776 5.762 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@H](C#N)C12CC(CCN1C(=O)OC(C)(C)C)C2 2318780287 BNLGRZJGDIQZPR-HTQWRTEZSA-N 445.535 5.249 30 10 IKEE CCc1nnc(SCc2ccccc2)n1N=Cc1ccc(OCc2ccc(C)cc2)cc1 2321004395 SBKFBSOFAVEXMU-UHFFFAOYSA-N 442.588 5.902 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 2321298560 VFRAOZGEUCSEDY-UXHICEINSA-N 441.572 5.418 30 10 IKEE Cc1c(OCc2ccc([N+](=O)[O-])cc2)ccc2c1OC(=Cc1c(F)cccc1Cl)C2=O 2321852314 NZQPGMGJIBYZTI-UHFFFAOYSA-N 439.826 5.891 30 10 IKEE Sc1nnc(CCc2ccccc2Cl)n1N=Cc1cccc(OCc2ccccc2)c1 2322119846 OFNZRBFNVRNIDP-UHFFFAOYSA-N 448.979 5.467 30 10 IKEE COC(=O)c1ccc(COc2ccc(Cl)cc2C=CC(=O)c2cccc([N+](=O)[O-])c2)o1 2322312107 QXESZELYIKVQNV-UHFFFAOYSA-N 441.823 5.103 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(Cl)cc1)C3=O)CN(CCC1=CCCCC1)CO2 2322377391 ZEQALDKRHHDBOO-UHFFFAOYSA-N 435.951 6.307 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccccc2)c1OCc1cccc2ccccc12 2322545801 ZBFMHIIHMBHYCO-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE Cc1cc(OC(=O)c2ccccc2Br)cc2c1C(=O)C(=Cc1ccccc1)O2 2322711423 WYCJSCQMVGJXEC-UHFFFAOYSA-N 435.273 5.593 30 10 IKEE CCOC(=O)c1ccc(COc2ccccc2C=CC(=O)c2c(C)c(C)cc(C)c2C)o1 2322836693 WKMFUJMDWXLNOF-UHFFFAOYSA-N 432.516 6.165 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)Cc4ccc(Cl)cc4)cc(C)c3C2=O)cc1 2322894825 YOODJDALTDQIQU-UHFFFAOYSA-N 434.875 5.421 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCc3ccccc3)ccc3ccccc23)cc1Cl 2322975050 FBZDQCIUYIQCOK-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3F)c([N+](=O)[O-])c2)cc1 2323540538 PRAKVTMMUOBOPQ-UHFFFAOYSA-N 433.479 6.552 30 10 IKEE Sc1nnc(Cc2cccs2)n1N=Cc1ccc(OCCCc2ccccc2)cc1 2323556995 OQMCFBSVYPLRFQ-UHFFFAOYSA-N 434.590 5.113 30 10 IKEE CCCCCCCCN1C(=O)C(=Cc2c(Cl)nc3scc(C)n23)SC1=S 2323720294 HKDNPIURFDLVHB-UHFFFAOYSA-N 428.048 5.919 30 10 IKEE CC1(C)C[C@H]2C[C@@](C)(CN2Cc2c(O)ccc3c2OC(=Cc2ccc(Cl)cc2)C3=O)C1 2324097445 WMWFZGFXYBLJKX-HFJWLAOPSA-N 437.967 6.062 30 10 IKEE Cc1cc(OCCCc2ccccc2)cc2c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O2 2324280965 FLRRGFGDRKJFMN-UHFFFAOYSA-N 439.338 6.930 30 10 IKEE N#C[C@@H](C(=O)C=Cc1ccc(Cl)c(Cl)c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2324339142 HFJFESYXVFYULT-HNNXBMFYSA-N 444.299 5.915 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2)C3=O)cc1 2324451581 ARDFUADLANXALS-QGZVFWFLSA-N 429.472 5.026 30 10 IKEE Cc1ccc(OCCCOc2ccc3c(c2C)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)cc1 2324547492 FJCHXYACEBABPV-UHFFFAOYSA-N 445.471 5.676 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCCCCOc4cccc(C)c4)cc(C)c3C2=O)c1 2324572409 ACXHGVHJBFKNJI-UHFFFAOYSA-N 428.528 6.466 30 10 IKEE Cc1ccc(OCCCCOc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2324585206 WWCHHVHGNJSYQD-UHFFFAOYSA-N 434.919 6.503 30 10 IKEE CCc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 2325440443 PGGLLRIXIQBORW-UHFFFAOYSA-N 444.579 5.939 30 10 IKEE CCCOC(=O)c1cccc(NC(=O)C(=O)C=Cc2cccc(OCc3ccccc3)c2)c1 2325669632 SKPAHBMAGTVHPZ-UHFFFAOYSA-N 443.499 5.053 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2)cc1 2325712354 DDHVPKIMPCFSNC-UHFFFAOYSA-N 443.499 6.361 30 10 IKEE O=C(C=Cc1ccc(F)c(Br)c1)C(=O)NC1CCCCCCCCCCC1 2325714004 XZPMNRZHDGMGFN-UHFFFAOYSA-N 438.381 5.960 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2)cc1OC(=O)c1ccccc1Br 2325731046 PSZHWVXLGYZXMS-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)c3ccc(OCC(C)C)cc3)c2)c(C)c1 2325764761 AOVAPDDYTAUYIG-UHFFFAOYSA-N 442.555 6.762 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)c3cc(Cl)ccc3Cl)c2)c(C)c1 2325764782 OEHORAXSOUWAPJ-UHFFFAOYSA-N 439.338 7.034 30 10 IKEE CCCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccncc1 2325812392 HLHXAOOBUVEPKT-UHFFFAOYSA-N 444.004 5.339 30 10 IKEE CCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(OC(C)C)c(Cl)c1 2326546503 RRWFFQNTLYKJEK-UHFFFAOYSA-N 449.407 6.109 30 10 IKEE C=C(C)CSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1cc(C)ccc1O 2328155962 HGPJEXYWBIMXOB-UHFFFAOYSA-N 426.630 6.307 30 10 IKEE COc1cccc(CCc2nnc(SCc3cccc(F)c3)n2N=Cc2ccccc2)c1 2328619262 SSNUUJUGBSPBIQ-UHFFFAOYSA-N 446.551 5.386 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccc(C)c(C)c3)n2N=Cc2ccccn2)cc1 2328768874 VNLWFLWTEQZMGR-UHFFFAOYSA-N 443.576 5.352 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2ccccc2Cl)n1N=Cc1ccco1 2329750394 HLVWYJOCCOZBCZ-UHFFFAOYSA-N 426.904 5.429 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cc(C)ccc3C)n2N=Cc2cccs2)cc1 2329999715 MFKAEQIDRBCTPS-UHFFFAOYSA-N 432.618 6.030 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@H]2CCCO2)c([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 2330602060 IQMPZPWEHZRKAC-RUZDIDTESA-N 443.455 5.242 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)CCCC4)cc2)cc1OC 2330678647 JCSGXYYJMMBTHX-UHFFFAOYSA-N 442.511 5.698 30 10 IKEE COC(=O)c1ccc(CSc2nnc(CC(C)(C)C)n2N=Cc2ccc(Cl)cc2)o1 2330840879 KAXCBDDBNSZAHG-UHFFFAOYSA-N 446.960 5.074 30 10 IKEE Cc1ccc(O)c(C=Nn2c(CC(C)(C)C)nnc2SCc2c(F)cccc2Cl)c1 2330881361 GAYSZIKMPKKFRV-UHFFFAOYSA-N 446.979 5.848 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc([C@@H]2CCCO2)n1N=Cc1ccccn1 2330975489 QAIGTBKCVZRFIK-KRWDZBQOSA-N 434.352 5.006 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1[N+](=O)[O-] 2331094043 LSOZXFGCZAKHTL-UHFFFAOYSA-N 445.462 6.425 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2cc(C)ccc2C)nnc1C(F)(F)F 2331138427 KMPBRZXWCBEYDW-UHFFFAOYSA-N 446.498 5.653 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3-c3ccccc3)cc2)cc1 2331189829 JNCOHVAXIRKUHT-UHFFFAOYSA-N 448.518 6.868 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 2331231378 PEFYQHWCMOVGIR-UHFFFAOYSA-N 445.471 5.726 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cc(C)ccc3C)cc2)cc1 2331294259 INDAYIPNLHPJLF-UHFFFAOYSA-N 428.528 6.136 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Br)c1OC(=O)C(C)C 2331327661 DUEFYUSDLURGGF-UHFFFAOYSA-N 445.353 5.922 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(SCc2ccc(F)cc2)nnc1C(C)(C)C 2331376153 IWUMWQDLYAOLCB-UHFFFAOYSA-N 426.561 5.676 30 10 IKEE Cc1cccc(CSc2nnc(C(C)(C)C)n2N=Cc2ccc(Br)cc2)c1 2331377284 GPDNTLXFKXHQKO-UHFFFAOYSA-N 443.414 5.821 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3OC)c(Cl)c2)cc1F 2331455892 WFFPEPWXSKNQAE-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OC(=O)Cc1cccs1 2331479012 OJTYRXUHBDNYCA-UHFFFAOYSA-N 442.536 6.344 30 10 IKEE Fc1ccccc1CSc1nnc(C2CCC2)n1N=Cc1c(Cl)cccc1Cl 2331522798 GLPSVUPBGXYXPT-UHFFFAOYSA-N 435.355 6.166 30 10 IKEE C=C(C)CSc1nnc(COC)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2331573714 CKYYYBQLVKQIDG-UHFFFAOYSA-N 442.972 5.207 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)C(C)C)c(Br)c1 2331665021 ZENNUAQPSIMNIN-UHFFFAOYSA-N 431.326 5.532 30 10 IKEE Cc1cccc(C(=O)Oc2ccc(C=CC(=O)c3c(C)cc(C)cc3C)cc2[N+](=O)[O-])c1 2331769765 QFDQMYJIZFAIFD-UHFFFAOYSA-N 429.472 5.944 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)c1cccs1 2331801167 AJHJXPKORHPPRQ-UHFFFAOYSA-N 448.584 6.868 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)CSc3ccccc3)cc2)cc1C 2331835496 ZSQNIUBUNKDIJX-UHFFFAOYSA-N 432.541 5.906 30 10 IKEE CCOc1ccc2c(c1)O/C(=C\c1cccc(OCC)c1OC(=O)c1cccs1)C2=O 8823747 HQRAJKXVFAPMDC-MOSHPQCFSA-N 436.485 5.381 30 10 IKEE CC[C@H](C(=O)Nc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1)c1ccccc1 21002344 ZPJGJHMCIRXURS-FADXNGITSA-N 448.360 6.478 30 10 IKEE C(=N/Nc1nc(SCc2nc3ccccc3[nH]2)n[nH]1)\c1cccc(Oc2ccccc2)c1 21038349 SCKHEZNHACAFPL-ZVHZXABRSA-N 441.520 5.212 30 10 IKEE C=CCOc1ccc([C@@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1 35444290 AKIOCRPXDFDKCH-PBWBSBDWSA-N 441.483 5.023 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\Oc3cc(C)c(C)cc3C2=O)cc1C 39842710 HSWOAVMBSQEUAI-YSMPRRRNSA-N 436.511 6.089 30 10 IKEE C[C@H]1Oc2ccc(-c3csc(-c4ccccn4)n3)cc2N(Cc2ccc(C#N)cc2)C1=O 40603543 QKKSBNJFJQEGKV-MRXNPFEDSA-N 438.512 5.058 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCc3ccc([N+](=O)[O-])cc3)cc(C)c2C1=O 41501626 DEYLSDHYZNJRHA-QRVIBDJDSA-N 431.444 5.497 30 10 IKEE Cc1ccc(C(=O)/C=C\c2cn(C[C@H](O)CN(CC(C)C)CC(C)C)c3ccccc23)cc1 96498607 KENONSNWMMABQW-BUOWTUAJSA-N 446.635 5.821 30 10 IKEE O=C(/C=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(N2CCOCC2)c(F)c1 96765577 XVVLFOIJLFROIC-CLTKARDFSA-N 446.305 6.125 30 10 IKEE CCOc1ccc2cc(/C=C\C(=O)c3c4ccccc4cc4ccccc34)c(Cl)nc2c1 97601864 WLTUYJLAJXFZAF-OWBHPGMISA-N 437.926 7.489 30 10 IKEE COc1cccc([C@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2c2ccc(C)c(Cl)c2)c1 102589225 UMQVFVJDTWTEQV-VFJWVMJUSA-N 433.891 5.283 30 10 IKEE COc1ccc2c(c1)C1=NN(/C(C)=C\C(C)=O)[C@H](c3ccc(Br)cc3)[C@@H]1CC2 103965596 WORYLAZEPKLIAL-LJHMKADBSA-N 439.353 5.274 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccc3c(c2)OCO3)c1 169967960 HZBJIWFYSKUJMK-XMMPIXPASA-N 441.483 5.123 30 10 IKEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccccn2)cc1 169991061 VVDWXOPNGFYYCM-VWLOTQADSA-N 449.510 5.084 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@@H]2c2ccncc2)ccc1F 170022234 SZPIRVJTYKXOSG-OAQYLSRUSA-N 436.870 5.274 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(O)c(Cl)c1)c1cc2ccccc2o1 170043922 QCOVLSDKCMJDJG-OAQYLSRUSA-N 437.879 5.313 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2C)[C@H]1c1ccccc1 170052014 NLADVXJFKXFZLJ-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2c[nH]c3ccccc23)cc1 170075346 FAOMUFZGTZVVEK-AREMUKBSSA-N 436.511 5.578 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccccc2C)c1 170086201 JSFNHRPYLVHKSE-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2ccco2)c1 170089651 MDRXTMMSLMSSQV-HSZRJFAPSA-N 431.488 5.468 30 10 IKEE CC(C)Oc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccco2)cc1 170094844 NZHRXJBMWDMTJC-HSZRJFAPSA-N 442.471 5.331 30 10 IKEE CCOc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccco2)c1 170097774 ZWGNSBVEQQVCFH-QHCPKHFHSA-N 443.455 5.203 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc(C)c2)cc1C 170145545 LKWBABPVNSWGDH-DEOSSOPVSA-N 433.548 5.531 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2cccs2)cc1C 170155576 JSKAVMVVQHCVFP-NRFANRHFSA-N 437.492 5.296 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccccc2)c(C)c1 170228169 FDHQREKENQECEU-VWLOTQADSA-N 441.527 5.874 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccc2)ccc1Cl 170228707 OIGWHZKINRTCGW-HSZRJFAPSA-N 447.918 5.830 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccccc2F)cc1 170249321 TZAIVQIFAQBRHE-DEOSSOPVSA-N 445.490 5.704 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccccc1F 170252998 XANUGXORPFNGRF-JOCHJYFZSA-N 425.500 5.157 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccc(O)c2)cc1C 170259628 MMHFMXIICJVJDM-XMMPIXPASA-N 443.499 5.191 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cc(C)cc(C)c3OC)=C(O)C(=O)N2Cc2ccco2)cc1 170266254 KOIKZFCOVAYJET-QHCPKHFHSA-N 445.515 5.246 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccco2)ccc1Cl 170286819 UBNUKIUFHHTIJV-IBGZPJMESA-N 444.270 5.378 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccc(C)o2)cc1 170300764 BYKGNVTYFLHNFK-DEOSSOPVSA-N 445.515 5.721 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(N3CCCCC3)cc2)[C@H]1c1ccccc1)c1ccccc1 170371407 UCOGOHYFXGWWRG-VWLOTQADSA-N 438.527 5.460 30 10 IKEE CC(C)[Si](C#Cc1ccc([C@@H](O)c2cccc(Br)c2)cc1)(C(C)C)C(C)C 201121037 LRNHVJMOACIKEO-XMMPIXPASA-N 443.501 7.100 30 10 IKEE CCC/N=C1C(=N\CCC)/SC(=NN=Cc2ccccc2O)N/1c1ccc(F)cc1 252611529 IKJDNYYQMRVVCM-NHLMABGJSA-N 425.533 5.092 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3)cc2C=NN=C2C[C@H]3CC[C@@]2(C)C3(C)C)cc1 254558688 QVYSZSMDRFLBPE-JIPXPUAJSA-N 426.564 6.169 30 10 IKEE C=CCn1c(=NC(=O)c2cccc(Oc3ccccc3)c2)sc2cc(C(=O)OC)ccc21 254876049 ONZMMZBKGVAQRJ-UHFFFAOYSA-N 444.512 5.209 30 10 IKEE CCCCCC(=O)Oc1c(C=NN(c2ccccc2)c2ccccc2)sc2ccccc12 263627283 QCTOADIMOIZILZ-UHFFFAOYSA-N 442.584 7.559 30 10 IKEE FC(F)(F)c1ccccc1-c1cncc(C(F)(F)F)c1-c1ccccc1C(F)(F)F 514253845 ADXTXAXGLQTDQO-UHFFFAOYSA-N 435.289 7.472 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2c(C)[nH]c3ccccc23)c1 526515523 IWWRGHPSGLOUTO-VWLOTQADSA-N 435.483 5.414 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(OC(C)C)cc2)c1 526518583 ZQIMDYMLEVNWQY-VWLOTQADSA-N 440.499 5.411 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2cccs2)[C@@H]1c1cc(Cl)c(O)c(Cl)c1 526606884 PNJPUWZGZNCHHD-SFHVURJKSA-N 443.311 5.689 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1ccc(Cl)c([N+](=O)[O-])c1 526811797 SGKKTZDCVZTVRB-FMCGGJTJSA-N 443.960 5.584 30 10 IKEE CCc1nnc(SCc2ccccc2Cl)n1/N=C\c1cccc(Cl)c1Cl 526816497 GTCCDQHNHIRLDK-YVNNLAQVSA-N 425.772 5.975 30 10 IKEE CCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1ccc(Cl)c(Cl)c1 526822573 LMMWXVUDHPUSCB-MSXFZWOLSA-N 430.364 5.584 30 10 IKEE FC(F)(F)c1ccccc1/C=N\n1cnnc1SCc1ccc(Cl)cc1Cl 526823655 MTLYHRXDNJIEDA-GYRAYZOKSA-N 431.270 5.778 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2ccc(Br)cc2Cl)c1 698419659 PQTGERIKIKZHGN-SFHVURJKSA-N 435.749 6.417 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)C1(C#N)CCC2(CCCC2)CC1 698459920 SVGNLGJLLSQJTP-UHFFFAOYSA-N 433.390 6.587 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1 710717819 JCBDKCJZCPUELQ-KOSHJBKYSA-N 429.561 5.276 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1cccc(Br)c1F 710722179 CACONSXPHYBVBG-INIZCTEOSA-N 435.293 5.603 30 10 IKEE CCN(CC)C(=O)CSc1nc2ccc(N=Cc3cc(Cl)ccc3O)cc2s1 1084331450 CNCBWPZLXREZMQ-UHFFFAOYSA-N 433.986 5.366 30 10 IKEE C=CCn1c(SCCCn2c(O)nc3ccccc32)nnc1-c1ccc(Cl)cc1 1656022563 KMEKEHNQMHAGEK-UHFFFAOYSA-N 425.945 5.022 30 10 IKEE O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=Nc2cccnc2)N1C1CCCCC1 1772730349 BLXMBQZPVJXRKY-NAAAPUFRSA-N 432.376 6.325 30 10 IKEE C=CCN1C(=O)/C(=C/c2cccc(OCc3ccc(C)cc3)c2)SC1=Nc1ccccn1 1772731237 KNODCYDOVUBETL-JCZIGYIGSA-N 441.556 5.759 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)SC1=Nc1ccccn1 1772732339 WDWPUSRLTVHRJD-MTTLQMSQSA-N 429.545 5.593 30 10 IKEE C/C(=C1/SC(=Nc2nnc(C)s2)N(C2CCCCC2)C1=O)c1ccc(Cl)cc1 1772736816 JRVAFOQRCPFKTO-OYBLBNEUSA-N 433.002 5.827 30 10 IKEE Cc1cccc(NC(=S)N/N=C\c2cn(-c3ccc(F)cc3)nc2-c2cccs2)c1 1857809513 XLUZHDNBNVRKHA-CFRMEGHHSA-N 435.553 5.369 30 10 IKEE Cc1ccc(-c2nn(-c3ccc(C)cc3)cc2/C=N\NC(=S)Nc2cccc(C)c2)cc1 1857812016 OCKFUJOTDYZWHS-YUMHPJSZSA-N 439.588 5.785 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc3c(OC(=O)Nc4ccc5c[nH]nc5c4)cccc23)c1 1858780405 ZIBRLSBHUHYFBB-UHFFFAOYSA-N 447.454 5.451 30 10 IKEE N#Cc1cccc(NC(=O)Oc2ccc(CNC(=O)c3ccc(Cl)c(Cl)c3)cc2)c1 1858897110 HZGZIONTJBNTDU-UHFFFAOYSA-N 440.286 5.406 30 10 IKEE CCCCCCCCCNC(=O)[C@H](Cc1cn(C)c2ccccc12)NC(=O)OC(C)(C)C 1860334651 WEYGMQIFHDHIAD-QFIPXVFZSA-N 443.632 5.481 30 10 IKEE Cc1ccc(CCC(=O)N2CCC[C@H](C(=O)Nc3scc(C(C)(C)C)c3C#N)C2)cc1 1860655059 IEMKSOZBOWKLHN-IBGZPJMESA-N 437.609 5.036 30 10 IKEE N#Cc1cccc(C(=O)N2CC=C(c3ccc(OC(=O)c4ccc(Cl)cc4)cc3)CC2)c1 1860684724 JOSRBAZYKLPYFY-UHFFFAOYSA-N 442.902 5.360 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1cccc(C)c1 1862412350 BUCSVTYKYCTXHW-WMZHIEFXSA-N 441.518 6.210 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(C(C)C)cc1 1862415293 UFMUMCBPFBZGJJ-QFIPXVFZSA-N 427.491 5.857 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1cccc(OCC)c1 1862417963 BSNHTVZJNOJPPS-QFIPXVFZSA-N 443.490 5.522 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@@H]2c2ccc(O)cc2)c1 1862430345 IMXRFJQRQDANSS-QHCPKHFHSA-N 447.918 5.441 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(O)c1 1862442528 KDJGBKAVFKBFTK-SIKLNZKXSA-N 441.955 5.983 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1Cl 1862446353 QHFLBCBQWXHJQJ-RFVSGWPVSA-N 444.358 6.150 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2[C@@H](C)CC)c1 1862510926 LBDNMHXHKLRBNZ-KSFYIVLOSA-N 425.500 5.300 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2cccc3ccccc23)cc1 1862518861 VRWGTGUENQWVBZ-IQGLISFBSA-N 443.543 6.005 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1cccc(Cl)c1 1862557119 JCCVZMDMJSCSBR-IFMALSPDSA-N 440.971 5.859 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1F 1862583691 ILSJEPPCMNCLOW-MLCYQJTMSA-N 440.273 5.648 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(N(C)C)cc1 1862617188 VIARJWNQBOULSG-GAJHUEQPSA-N 434.580 5.427 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CC)cc1 1862624664 MVOJKTXKYLOGDC-DEOSSOPVSA-N 449.591 6.151 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccc(O)cc2)cc1 1862661345 DWPKKCPBBJVPQJ-VWLOTQADSA-N 445.559 5.984 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCC(C)C)c1 1862668946 KTBWTZIBZJHPME-RUZDIDTESA-N 449.591 6.223 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862669579 ZSDOBIHDKGRTKX-KOSHJBKYSA-N 435.564 5.976 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1C 1862878337 YCTWLAQBNCPWSX-UHFFFAOYSA-N 441.918 5.534 30 10 IKEE C=CCN(CC=C)C(=O)[C@@](C)(CC)NC(=O)[C@@H](CC(C)C)c1cccc(Br)c1 1869004062 NQWBFHQSDWQSQW-NZQKXSOJSA-N 449.433 5.064 30 10 IKEE CC(C)(C)SCc1cc(=O)c(OCc2ccc(C#N)cc2)cn1Cc1ccc(F)cc1 1870233084 BHVDSPUIXJZTFT-UHFFFAOYSA-N 436.552 5.518 30 10 IKEE C=CCn1cc(OCC=C(C)C)c(=O)cc1CN(Cc1ccccc1)Cc1ccccc1 1870611023 FDXWDFOTCKPPIO-UHFFFAOYSA-N 428.576 5.582 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)OCC)c(=O)cc1CN1CCC[C@@H](C)C1 1870696016 UECJKYDLYBDBOC-JOCHJYFZSA-N 448.648 5.163 30 10 IKEE C=CCOc1cn(CCc2ccc(OC)cc2)c(CNc2ccc(CCCC)cc2)cc1=O 1870810633 KWCRMPOOLZTDFQ-UHFFFAOYSA-N 446.591 5.619 30 10 IKEE C=CCOc1cn(CCC2=CCCCC2)c(CNc2ccc(C(F)(F)F)cc2)cc1=O 1870813185 AXEQENDHRWHCGX-UHFFFAOYSA-N 432.486 5.935 30 10 IKEE CCCCCCCCn1cc(OCCCC)c(=O)cc1CNc1ccc(NC(C)=O)cc1 1871110998 NTQXGIVOZKRQII-UHFFFAOYSA-N 441.616 5.958 30 10 IKEE C=CCn1cc(OCCCOc2cccc(C)c2)c(=O)cc1CNc1ccc(CC)cc1 1871219517 KCDIEYBCOQOLMN-UHFFFAOYSA-N 432.564 5.365 30 10 IKEE Cc1cccc(CN2COc3cc(C)c4c(c3C2)O/C(=C\c2cccc([N+](=O)[O-])c2)C4=O)c1 1871348201 XXGPLYLABMQEBX-FMCGGJTJSA-N 442.471 5.180 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O3)CN([C@@H]1CCCC[C@@H]1C)CO2 1871351379 XNGDXWUEBJXMMV-LJLLQGJSSA-N 431.576 6.465 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc3c2CN(CCCCc2ccccc2)CO3)C1=O 1871354496 SAKIFGHMERZHGL-ONUIUJJFSA-N 425.528 5.786 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871381731 DSGQZSNCQCAMAL-XKZIYDEJSA-N 448.858 5.409 30 10 IKEE CCCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871390640 GQKWMBJVKAIUFQ-HMAPJEAMSA-N 432.428 5.129 30 10 IKEE Cc1cc(O)c(CN2CCOc3ccccc32)c2c1C(=O)/C(=C/c1ccccc1Cl)O2 1871395915 CHMCRJRGTUIUAW-XKZIYDEJSA-N 433.891 5.369 30 10 IKEE Cc1ccc(OCCCOc2ccc3c(c2)O/C(=C\c2c(F)cccc2Cl)C3=O)cc1 1871406510 QFILGFXUMBJKBU-IWIPYMOSSA-N 438.882 6.252 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccc(Cl)cc4)cc(C)c3C2=O)cc1 1871414280 LDWINZSKSSUDPE-ICODJCHTSA-N 447.918 5.979 30 10 IKEE COc1ccc2c(c1)c(/C=C1\Oc3cc(OCc4ccc(C#N)cc4)ccc3C1=O)cn2C 1871417832 STLQIVBKLNUDAC-RAWMCFOBSA-N 436.467 5.254 30 10 IKEE COc1ccc(CCOc2ccc3c(c2)O/C(=C\c2ccc(Cl)c(Cl)c2)C3=O)cc1 1871448746 YNLWTOPUCUNWTQ-QRVIBDJDSA-N 441.310 6.240 30 10 IKEE CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 1871449428 WZAJSGZGDPRZDC-ACMDDDSKSA-N 445.446 5.051 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871453751 PVPIHNOBKZMBJE-UUYOSTAYSA-N 433.891 5.591 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4c(C)cc(C)cc4C)c3C)C2=O)cc1 1871458361 HAZHTWUTLJGBAJ-OYKKKHCWSA-N 441.527 5.862 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(F)cc2)[nH]c(N2CCCCCC2)n1 1871515772 GQECNVLFUIOQBV-UHFFFAOYSA-N 442.627 6.109 30 10 IKEE C=CCN([C@H](CCC)C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)S(=O)(=O)CCCC 1872326778 VGBHLYWJNYAQER-HSZRJFAPSA-N 436.662 5.659 30 10 IKEE CCc1ccc(-c2csc([C@@H](C#N)C(=O)c3c(Cl)ccc(Cl)c3OC)n2)cc1 1872761481 OEGOREVMDJNFGH-AWEZNQCLSA-N 431.344 6.178 30 10 IKEE C[C@H](c1ccccc1)N1C[C@@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)CC1=O 1872767139 SZPKFCCPRCDWIE-MOXGXCLJSA-N 449.963 5.249 30 10 IKEE CCCc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 1872768935 FVNFZKXEHYFWMA-QGZVFWFLSA-N 445.371 6.325 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(Cl)cc3Cl)n2)cc1F 1872775638 WFVCOGZMTKUJDG-YFCVBGDOSA-N 447.318 6.154 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@@H](C#N)C(=O)Cc3ccc(Cl)c(Cl)c3)n2)c1C 1872778643 PRWXMNHXBWZVOD-KRWDZBQOSA-N 443.399 6.770 30 10 IKEE CCCCCCCCN1C(=O)C(NC2CCCC2)=C(c2ccc(-n3cccc3)cc2)C1=O 1873035415 WMLLYHWWAVRMBE-UHFFFAOYSA-N 433.596 5.450 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H]2CCCC[C@H]2C)=C(c2ccc(Cl)cc2)C1=O 1873138457 RCPJBSINIGDCRY-NQIIRXRSSA-N 431.020 5.949 30 10 IKEE COc1cccc(/C=N/Nc2oc(-c3cccs3)nc2C#N)c1OCc1cccc(C)c1 1873461956 GQGQJLSVKHHTMI-VULFUBBASA-N 444.516 5.617 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(F)c(F)c2)cc2c(NCc3ccc(C)cc3)ncnc21 1873641827 OFPDFGULTQOOJW-UHFFFAOYSA-N 433.462 5.068 30 10 IKEE C=CCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccccc1[N+](=O)[O-] 1874232068 AUKNRTMKKJPROG-KOEQRZSOSA-N 443.532 5.285 30 10 IKEE C=CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccc(Cl)cc1 1874244590 KGDUQZFERXQBPR-MFKUBSTISA-N 427.017 5.851 30 10 IKEE Cc1ccccc1OCCCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc[nH]1 1874249178 QDIWANUWUVVURL-JVWAILMASA-N 449.555 5.240 30 10 IKEE C=C(C)CSc1nnc(COc2cccc(C)c2C)n1/N=C/c1ccc(C(C)(C)C)cc1 1874323425 OUONOXOREJZFJE-JFLMPSFJSA-N 448.636 6.322 30 10 IKEE C=CCSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1cccc(OCCC)c1 1874331612 VQGVTTKGJHDPDH-NLRVBDNBSA-N 434.609 5.629 30 10 IKEE Cc1ccccc1CSc1nnc(COc2ccccc2)n1/N=C/c1ccc(Cl)cc1 1874382669 BMGHDCYVMVQIAM-CVKSISIWSA-N 448.979 5.993 30 10 IKEE Clc1ccccc1/C=N/n1c(CCc2ccccc2)nnc1SCCc1ccccc1 1874403765 QYTFRGUJMOIALR-ZXVVBBHZSA-N 447.007 5.934 30 10 IKEE CCCSc1nnc(CCc2ccccc2)n1/N=C/c1cccc(Br)c1 1874404683 KSQNJIGJRGQXRR-PXLXIMEGSA-N 429.387 5.210 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3cccs3)n2/N=C/c2ccc(O)c(O)c2)c1 1874422313 GCDPMQFSWNWIPA-FSJBWODESA-N 436.562 5.209 30 10 IKEE COc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccccc2C)c(OC)c1 1874436555 HECIKESVYIQREA-MFKUBSTISA-N 438.597 5.367 30 10 IKEE CCc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCC(=O)Nc2cccc(C)c2)cc1 1874436862 DGYXKEUCITVMHG-WGOQTCKBSA-N 449.624 5.351 30 10 IKEE COCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1cccc2ccccc12 1874472675 QYRPUBXLTDDNDB-MFKUBSTISA-N 436.968 5.448 30 10 IKEE COc1cc(/C=N/n2c(CC(C)C)nnc2SCc2c(F)cccc2Cl)ccc1O 1874493232 BGGABAQEARTFCV-BHGWPJFGSA-N 448.951 5.158 30 10 IKEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3cccc(C)c3C)nnc2C2CCC2)cc1 1874494698 FCRMHKDRLHXUHO-CVKSISIWSA-N 447.608 5.338 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(C(C)C)n2/N=C/c2ccc(C(C)C)cc2)o1 1874513111 IBHGLCKUASMXGK-ZMOGYAJESA-N 440.569 5.469 30 10 IKEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccc(Cl)c(Cl)c1 1874533436 IMPKCDONFGTGHB-GZIVZEMBSA-N 446.190 6.375 30 10 IKEE Cc1ccc(OCc2nnc(S)n2/N=C/c2cccc(OCc3ccccc3)c2)cc1C 1874563357 YMNNZDJPLGJKPM-CVKSISIWSA-N 444.560 5.224 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2ccc(C)cc2C)cc1 1874575881 LQELXIREQCOOEH-RVDMUPIBSA-N 445.515 5.234 30 10 IKEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2Cl)o1 1874610783 KRCIHYNDWJSMMY-XNWCZRBMSA-N 441.823 5.103 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)ccc1OCc1cc(C)ccc1C 1874639246 PSQCJYGHRLEMQL-JXMROGBWSA-N 436.935 6.449 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(OC)c(OC)c3)c2)cc1C 1874696353 UXHANMUXAQDYPP-DHZHZOJOSA-N 432.472 5.136 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(Cl)c(Cl)c3)c2)cc1 1874697737 NDCOBMZCPZPZKE-LFYBBSHMSA-N 427.283 6.117 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cccc(OC)c3)c2)cc1 1874701730 HVPLTMIAHRWBHF-RIYZIHGNSA-N 446.499 5.608 30 10 IKEE COc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc(C(C)C)cc3)ccc2OC)cc1 1874708261 UIYVVXCMZSNAGU-PJQLUOCWSA-N 430.500 5.943 30 10 IKEE CC(C)c1ccccc1OCCCC(=O)Oc1cccc(/C=C/C(=O)c2ccc(F)cc2)c1 1874708494 FWCGUJHBCYNARC-SFQUDFHCSA-N 446.518 6.610 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(C)cc2C)CSc2nnc(CC(C)C)n21 1874891039 YDURQUUPZVXCDD-JOCHJYFZSA-N 442.673 6.156 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(CCCC)cc2)cc(OC)c1OC(=O)CC(C)(C)C 1875107754 HMCBPEUJSRJJCF-SAPNQHFASA-N 448.603 7.004 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1 1875112469 JYJHXKSBKWSHBC-YIXHJXPBSA-N 427.283 6.117 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(Cl)c1OC(=O)c1cccnc1 1875113005 QBBHJHJGYSREED-IZZDOVSWSA-N 437.879 5.258 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2)c(Cl)c1)c1cccc(Br)c1 1875114072 CCWKYAPKKOLMDA-PKNBQFBNSA-N 441.708 6.218 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 1875117060 GWXXQULIZKMYIP-FRKPEAEDSA-N 445.471 5.428 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(OC)c3)c(OC)c2)cc1 1875131138 JLZJLLVQXVXELG-RIYZIHGNSA-N 432.472 5.218 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(Cl)cc3)c([N+](=O)[O-])c2)c(C)c1 1875134632 CFNHPUIAAYWFLL-IZZDOVSWSA-N 449.890 5.909 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Br)c1OC(=O)C1CCC1 1875137044 SROBVGMPRIABSW-DHZHZOJOSA-N 429.310 5.368 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)c1ccccn1 1875141972 FRHASASAHFGBMI-JXMROGBWSA-N 439.870 5.697 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)Cc1ccc(F)cc1F 1875158899 SFGUBRJXAOFUJK-WTDSWWLTSA-N 426.390 5.157 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OC(=O)C1CCCC1 1875164783 AMPJPCLKPQIQBV-ZRDIBKRKSA-N 436.548 6.127 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)c1ccc(C)cc1 1875171464 XZMIVLZVJIREPO-UKTHLTGXSA-N 444.527 6.134 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2Br)cc1 1875175492 SAHWVXJKLYQDGT-KPKJPENVSA-N 449.344 6.490 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)cc2OC)cc(OC)c1OC(=O)C1CCC1 1875177601 FKEFDIADFZPBEK-JLHYYAGUSA-N 436.504 5.043 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3ccco3)c(OC)c2)c(OC)c1 1875178898 IJQNTYCDKQRGIX-RMKNXTFCSA-N 442.851 5.074 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C(C)(C)C)ccc3C)cc2Cl)cc1 1875184097 IMNDRJYZPLXASK-NTEUORMPSA-N 446.974 7.370 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](O)c1ccc(Br)c(Cl)c1 1922067420 BFGWAQMXVUGHRH-RTWAWAEBSA-N 438.793 5.277 30 10 IKEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@@H](C#N)[C@@]1(C)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2022144050 HFNKUWCKJYFZHO-VBKZILBWSA-N 449.514 5.104 30 10 IKEE CC1(C)OB(c2cc(CN(CCC(F)(F)F)Cc3ccccc3)ccc2F)OC1(C)C 2034720355 DREFCDOHFWNJIN-UHFFFAOYSA-N 437.286 5.080 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)[C@@H](C)CN(Cc3ccccc3)C[C@H]2C)c1 2037936499 QNRDHPSMNDXKDV-NEEULUBSSA-N 433.596 5.787 30 10 IKEE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2037942037 KWVYDHIMEQTXAB-WOJBJXKFSA-N 437.559 5.618 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Br)c1Cl)NCC 2047977103 SJUWIALJOUSSKT-JKSUJKDBSA-N 431.802 5.093 30 10 IKEE Cc1ccc([C@H](n2nc(C(F)F)c(C#N)c2I)C2(C)CC2)c(C)c1 2079088278 ZJMVTQXYEDAMHX-HNNXBMFYSA-N 441.263 5.303 30 10 IKEE O=Cc1c(C(F)(F)F)nn([C@@H](c2ccc(C(F)(F)F)c(F)c2)C2CCC2)c1Cl 2079846369 CDBOWEZCDQPIOQ-CYBMUJFWSA-N 428.735 5.915 30 10 IKEE Cc1cc(C)c([C@@H](C2CC2)n2nc(C(F)(F)F)c(C=NO)c2Br)c(C)c1 2079858542 RKAJLWJAAVTIRC-OAHLLOKOSA-N 430.268 5.397 30 10 IKEE Fc1cc(-c2c(C(F)(F)F)nn(C(F)(F)F)c2Br)cc(C(F)(F)F)c1 2080846017 SNLDJXOPVDNAPC-UHFFFAOYSA-N 445.054 5.966 30 10 IKEE CN(C(=O)OC(C)(C)C)C1CCC(Nc2cc(Br)cc(F)c2C#N)CC1 2107451795 RQXJQBLKDNLFOJ-UHFFFAOYSA-N 426.330 5.050 30 10 IKEE C=CC[C@](C)(CNC(=O)OC(C)(C)C)COc1ncc(Br)c2ccsc12 2137387960 WYYFFVCPVIIZPQ-LJQANCHMSA-N 441.391 5.545 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@]2(Nc3cc(Br)c(C#N)cc3F)CCC[C@H]12 2162333881 HUPRJRGSFINQFG-FXAWDEMLSA-N 438.341 5.194 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(Nc2ccc(Br)cc2)C[C@@H]1C1CCC1 2194185134 DHWFVZKWUHTAJD-WIYYLYMNSA-N 434.378 5.323 30 10 IKEE C=C(c1ccccc1)[C@@H](NCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2197137301 MYQXXMKDFDNDTE-WJOKGBTCSA-N 449.594 7.209 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1cc(Cl)ccc1NC(=O)OC(C)(C)C 2212700277 TXYKFXZDTMEHRR-QFIPXVFZSA-N 430.976 6.111 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@@H](C)CN(C(=O)OC(C)(C)C)[C@@H]1C 2220391507 KRTZNXFNNWYHQO-IZJXBPLLSA-N 443.588 5.664 30 10 IKEE CC1(C)OB(c2ccc(Oc3ccc(Cl)c(Cl)c3Br)nc2)OC1(C)C 2232320483 IIPVGMTYQJDOIK-UHFFFAOYSA-N 444.949 5.242 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)C[C@H](C)N(CC)C(=O)OC(C)(C)C 2235745309 BXMGYAPSYDRLSV-PKOBYXMFSA-N 437.422 5.204 30 10 IKEE CN[C@@H](C#Cc1ccccc1Br)[C@H](CCC(C)(C)C)NC(=O)OC(C)(C)C 2235747345 PELLJJFFWKWQCM-OALUTQOASA-N 437.422 5.108 30 10 IKEE CCc1ccc(C#C[C@H](N)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1 2239654064 AHIAGHCKFOEKRB-LJAQVGFWSA-N 447.578 6.459 30 10 IKEE Cc1csc(C(=O)N(Cc2ccccc2)[C@@H](C)C(C)C)c1B1OC(C)(C)C(C)(C)O1 2247920143 WNNBEFUKSIZNHV-SFHVURJKSA-N 427.419 5.043 30 10 IKEE C=CCCC1([C@H](NCC)c2ccc(Br)s2)CN(C(=O)OC(C)(C)C)C1 2255003468 JFEIZXMDEGBOJS-MRXNPFEDSA-N 429.424 5.365 30 10 IKEE CC(C)[C@H](C)N(Cc1ccccc1)C(=O)c1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1 2255816973 NSGIGSXSNYPXEQ-SFHVURJKSA-N 441.808 5.326 30 10 IKEE O[C@@H](C#Cc1cccc(Br)c1)c1cc(Br)ccc1Br 2278799458 JGKNJLSDKOIMFY-HNNXBMFYSA-N 444.948 5.059 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H](CC(C)(C)C)NC(=O)OC(C)(C)C 2296216761 NKARRVXCDCECEX-MOPGFXCFSA-N 437.422 5.108 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)C(=C(O)c4ccccc4)[C@@H]3c3ccco3)sc2c1 2296777458 HGMBSJAACADSDG-FQEVSTJZSA-N 430.485 5.078 30 10 IKEE O=C1C(=Cc2ccc(Br)cc2)Oc2cc(OCC=Cc3ccccc3)ccc21 2296871332 OCBVDSLODJQWGD-UHFFFAOYSA-N 433.301 6.158 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(OCc3cccc(Cl)c3)c(OC)c2)SC1=S 2297349840 XNPVROXEFOOPBC-UHFFFAOYSA-N 431.966 5.315 30 10 IKEE O=C1NC(=Nc2ccc(F)cc2)C(=Cc2cn(-c3ccccc3)nc2-c2ccccc2)S1 2314480964 ZGKIPXYXINHHNA-UHFFFAOYSA-N 440.503 6.206 30 10 IKEE CN1C(=O)C(=Cc2ccc(-c3c(Cl)cccc3Cl)o2)SC1=Nc1cccnc1 2314542497 WAKYCXZIIKCFST-UHFFFAOYSA-N 430.316 5.882 30 10 IKEE Cc1ccccc1COc1ccc(C=Nn2c(S)nnc2-c2ccccc2Cl)cc1 2321993357 ZSFVAHJZDDMSOE-UHFFFAOYSA-N 434.952 5.657 30 10 IKEE CCCCCOc1ccccc1C=Nn1c(S)nnc1CCc1ccccc1Cl 2322119795 AMGPOZZRBMCNOK-UHFFFAOYSA-N 428.989 5.457 30 10 IKEE CCCCCCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(Cl)cc1)C3=O 2322190781 OENMQNUCXGYHHL-UHFFFAOYSA-N 439.983 6.777 30 10 IKEE COc1cccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3ccccc3Cl)C4)C2=O)c1 2322305701 OGOIBSFNMLDQSU-UHFFFAOYSA-N 447.918 5.625 30 10 IKEE COc1ccc(OC)c(C=C2Oc3c(cc4c(c3C)OCN([C@H]3CCCC[C@@H]3C)C4)C2=O)c1 2322391642 KFPCLAHVMHMLHM-AOMKIAJQSA-N 449.547 5.359 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(C)cc2C)c1OCC(=O)Nc1ccccc1 2322572728 XZIHVQBSNRHUTE-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(F)c(C)c2)c1OCc1cccc(F)c1 2322634637 ZPIOSOFNJWWRGH-UHFFFAOYSA-N 428.862 6.410 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(F)c(F)c2)c1OCc1nc(O)c2ccccc2n1 2322784975 JYIZHKNJIRECDT-UHFFFAOYSA-N 448.425 5.097 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3cc(C)ccc3C)c2)cc1 2323157731 IFISRVUQAFQELJ-UHFFFAOYSA-N 443.543 6.006 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(C)o2)C3=O)cc1 2323889634 LRBWIADIRFSKEN-UHFFFAOYSA-N 432.428 5.047 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)c1 2324014493 ZVSDHQWQBXLHDV-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE C=C(C)COc1ccc(C=CC(=O)c2cc(OCC)ccc2OCC)cc1Br 2324391749 MILPXFGYZDYVIL-UHFFFAOYSA-N 445.353 6.098 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2cccs2)C3=O)c1 2324455972 COVBKXWNDTXTGG-KRWDZBQOSA-N 433.529 5.696 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2OC)ccc1OCc1ccc(F)cc1 2324475019 IEPWMEIKMDEIOH-UHFFFAOYSA-N 436.479 5.717 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2cccc(F)c2)C3=O)c(C)c1 2324892295 PWYCUCTYVVVRKJ-UHFFFAOYSA-N 431.463 5.385 30 10 IKEE Cc1cc(OCCC(=O)OCCC(C)C)cc2c1C(=O)C(=Cc1ccc(Cl)cc1)O2 2325103795 OPLZMUUWRNCQQQ-UHFFFAOYSA-N 428.912 5.623 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OCc3nc(O)c4ccccc4n3)cc(C)c2C1=O 2325205907 PEALXJVCNHJTBB-UHFFFAOYSA-N 430.485 5.209 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2cccs2)C3=O)c(Cl)c1 2325299029 ABRGIAKTCIQLGI-UHFFFAOYSA-N 439.920 5.652 30 10 IKEE COc1ccc(OC)c(C=C2Oc3c(ccc(OCCc4ccc(C)cc4)c3C)C2=O)c1 2325369974 UHOJZZXDIAYIGU-UHFFFAOYSA-N 430.500 5.558 30 10 IKEE CCOc1ccc(C=CC(=O)C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1OCC 2325642600 RHSNJAANQZMXSZ-UHFFFAOYSA-N 430.504 5.449 30 10 IKEE COc1cc(C=Nn2cnnc2SCc2ccccc2F)ccc1OCc1ccccc1 2325652686 AUCDIMGACMJEKS-UHFFFAOYSA-N 448.523 5.179 30 10 IKEE O=C(C=Cc1cccc(OC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)c1)c1ccc(F)cc1F 2325726447 WADLHPYURPGDCY-NHCUHLMSSA-N 438.857 6.223 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O 2325737204 VFNPNUHOKQPOCH-UHFFFAOYSA-N 433.891 5.536 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4CC)ccc3C2=O)cc1 2325737260 IVWGTYVDJPPZSS-UHFFFAOYSA-N 427.500 5.445 30 10 IKEE COc1cccc(C=C2Oc3cc(OCc4cc(=O)oc5ccc(C)cc45)ccc3C2=O)c1 2325741422 WEKYBNGHYZUXKC-UHFFFAOYSA-N 440.451 5.305 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC(=O)Cc2ccccc2Cl)c1 2325765522 DRTNGUBNUCTWMO-UHFFFAOYSA-N 446.974 6.990 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1c[nH]c2ccccc12 2326331900 GOTUOMILMSUIAB-UHFFFAOYSA-N 445.592 5.494 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccccc3Cl)n2N=Cc2ccccn2)cc1 2327613913 VJMDLPQLVBCFOW-UHFFFAOYSA-N 449.967 5.388 30 10 IKEE CCOc1ccc(C=Nn2c(CCc3ccc(Cl)cc3)nnc2SC)cc1OCC 2328003403 FJBBJBKVWLFSDW-UHFFFAOYSA-N 444.988 5.118 30 10 IKEE CCCSc1nnc(COc2c(C)cccc2C)n1N=Cc1cccc2ccccc12 2328559901 GVYJZOKEORXMAP-UHFFFAOYSA-N 430.577 6.011 30 10 IKEE CCSc1nnc(COc2ccc(C)cc2C)n1N=Cc1ccc(Br)cc1 2328889981 JZOZONUXJMWGBY-UHFFFAOYSA-N 445.386 5.231 30 10 IKEE Cc1ccccc1CSc1nnc(COCc2ccccc2)n1N=Cc1sccc1C 2329312414 XBDJPVAXXZCRAI-UHFFFAOYSA-N 448.617 5.848 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2)n1N=Cc1cccc(F)c1 2329486469 YQHQDQKXOREPKU-UHFFFAOYSA-N 430.552 5.685 30 10 IKEE Fc1ccc(C=Nn2c(SCc3ccccc3F)nnc2-c2ccccc2Cl)cc1 2329573696 FCKBRNFJDRZEBL-UHFFFAOYSA-N 440.906 6.051 30 10 IKEE Cc1ccccc1CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1ccc(Cl)cc1 2330057662 ZCUIVLNOXROXGH-IBGZPJMESA-N 447.007 6.566 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2-c2cccs2)cc1 2330584163 LXLKKDPODAHDIO-UHFFFAOYSA-N 440.981 5.843 30 10 IKEE COc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc(Cl)c1OC(=O)CC(C)C 2330590530 AIOCXYZUUBYAFH-UHFFFAOYSA-N 448.946 6.863 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)C=Cc1ccccc1[N+](=O)[O-] 2330649061 JAXRAPGQAXDZER-JOCHJYFZSA-N 445.604 5.540 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1sccc1C 2330822241 KJTMXQLKWIJAMI-UHFFFAOYSA-N 447.339 6.487 30 10 IKEE Cc1cccc(CSc2nnc(CC(C)(C)C)n2N=Cc2cccc3ccccc23)c1 2330822269 QANFENACSIODQH-UHFFFAOYSA-N 428.605 6.503 30 10 IKEE COC(=O)c1ccc(CSc2nnc(C3CCCC3)n2N=Cc2ccccc2Cl)o1 2331066149 PYHKNFYKLNSJFQ-UHFFFAOYSA-N 444.944 5.143 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)Cc1ccccc1OC 2331182826 SENIZNGIRHPZGR-UHFFFAOYSA-N 442.511 5.477 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccco3)n2N=Cc2ccc(C(C)(C)C)cc2)c1 2331211160 FSYRYSNAGKBZEL-UHFFFAOYSA-N 444.604 6.627 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(OC)cc3)c(OC)c2)cc1 2331211305 GZYXFFFLWJXBDB-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE Cc1ccsc1C=Nn1c(CC(C)C)nnc1SCc1ccc(Cl)c(Cl)c1 2331471244 ZURABHCAZNLMSD-UHFFFAOYSA-N 439.437 6.328 30 10 IKEE CCCCCCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(F)cc2)cc1OC 2331512143 JDTWYYWZFFWEHF-UHFFFAOYSA-N 446.946 7.040 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])cc1 2331527656 NUGHEBIRLGNEMF-UHFFFAOYSA-N 449.434 5.177 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCCc3ccccc3)nnc2C2CCC2)cc1 2331529249 RUUJVPKOMHJPEH-UHFFFAOYSA-N 433.625 5.609 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)Cc1ccccc1 2331703702 SIESCDDZAYBTIV-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccncc3)c(Cl)c2)cc1Cl 2331818848 LRQDNKSWNLRGMS-UHFFFAOYSA-N 428.271 5.512 30 10 IKEE C=CC[C@@H](CN[C@@H](C)CC)Cc1ccc(I)c(Br)c1 2349918002 SZCGCWJTNLLXOR-GXTWGEPZSA-N 436.175 5.177 30 10 IKEE O=C[C@@]1(Cc2ccc(I)c(Br)c2)CCCCC12CC2 2349921155 QDLCGUVJAQWHRK-INIZCTEOSA-N 433.127 5.136 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)ccc1OC 2364622991 WXVMLWVUKATVPQ-IEBWSBKVSA-N 441.410 5.358 30 10 IKEE C[C@@H](Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)c1cscc1Br 2365063758 FAANRPMOHSDHFT-MMQHEFTJSA-N 435.196 5.723 30 10 IKEE C/C(=N/Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(-c2ccccc2)cc1 5909568 JMBGMKHAXTZQKD-QQXSKIMKSA-N 448.389 7.076 30 10 IKEE C=C(C)COc1cccc(NC(=O)c2cc(Br)ccc2OCCCCCC)c1 9824336 JQDHDVBIZUHSEU-UHFFFAOYSA-N 446.385 6.615 30 10 IKEE C=C(C)CN1C(=O)[C@@H](C)Oc2cc(NC(=O)C(c3ccccc3)c3ccccc3)ccc21 12167451 UGFPDOQMSZTKOQ-LJQANCHMSA-N 426.516 5.147 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(C)s1)N2 20689238 KUJOCSUTWKTUQY-DNVFCKCGSA-N 426.607 5.246 30 10 IKEE Cc1cccc(Nc2sc3c(-c4ccc(Cl)cc4)c(C#N)c(N)nc3c2C(N)=O)c1 39895242 CWGUNCVIBYEOHA-UHFFFAOYSA-N 433.924 5.222 30 10 IKEE COc1ccc(-c2c(C#N)c(SCc3ccccc3Cl)nc3c2CN(C)CC3)cc1 40569939 DVYUGVFMWZUEGO-UHFFFAOYSA-N 435.980 5.562 30 10 IKEE CCc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=S)Nc2ccccc2)CCC3)cc1 40825135 GTUAELGTBJFRQS-VFCFBJKWSA-N 446.576 5.430 30 10 IKEE Clc1ccc(-n2c(-c3ccccc3)cc(/C=N/Nc3ccccc3)c2-c2ccccc2)cc1 59427522 MWKXJYUWUBGBNQ-NJZRLIGZSA-N 447.969 7.911 30 10 IKEE O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C/c1ccccc1Br 59566994 TXWRIGVZTOCFIS-MDWZMJQESA-N 428.138 5.648 30 10 IKEE CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 85974789 YFPVRCYDDXYINM-VWLOTQADSA-N 442.644 6.761 30 10 IKEE biogenic CN1C(=O)C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)S/C1=N\c1ccc(Cl)cc1 100263686 NEFIJKJCXJBNCO-VKWHMPGMSA-N 442.755 5.237 30 10 IKEE CCCCCCCOc1ccc(NC(=S)NC(=O)/C=C/c2ccc(OCC)cc2)cc1 100309456 PZKSQPSLFAJKRK-WOJGMQOQSA-N 440.609 5.961 30 10 IKEE COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1cn(C)c3ccccc13)C2=O 102721136 JZYRRUGSSNMNQZ-CFRMEGHHSA-N 425.440 5.022 30 10 IKEE COc1cccc(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c1OC 103862140 LODFTWUBCBRYFR-MFKUBSTISA-N 426.582 5.457 30 10 IKEE C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C/c1cccc(Cl)c1Cl)C2=O 118919577 ANTLLZHQDMIOLB-LWJTUXBGSA-N 447.446 6.959 30 10 IKEE C=C(CNc1c(Br)cc(Br)cc1Br)c1ccccc1 134358140 UNMGIVGOYTULKV-UHFFFAOYSA-N 445.980 6.099 30 10 IKEE Cc1ccc(N/N=C/c2cc(Br)c(OC(C)C)c(Br)c2)cc1C 169876759 JYYIUDHCBYGDCU-UFFVCSGVSA-N 440.179 6.062 30 10 IKEE Sc1nnc(Cc2cccs2)n1/N=C\c1cccc(OCc2ccc(Cl)cc2)c1 169913884 IVCPOKWPJYTFCW-QRVIBDJDSA-N 440.981 5.334 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3O)[C@H]2c2cccs2)ccc1F 169987408 JZTKUCLQLSTHMP-IBGZPJMESA-N 443.883 5.338 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccncc2)cc1 170016516 XGWDLISUDRQARH-QFIPXVFZSA-N 432.907 5.641 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 170059734 TUWINEURLXXDBY-DEOSSOPVSA-N 449.978 6.130 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1c[nH]c2ccccc12)c1ccc(Cl)cc1 170074852 XAWHMKHHBFMPGM-QFIPXVFZSA-N 444.874 5.310 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2cccc(O)c2)c1 170081370 BUOWIJUOSVWHII-QFIPXVFZSA-N 449.890 5.227 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1c1ccc(Cl)cc1 170106455 KJUBVSZJFIAIFS-FQEVSTJZSA-N 448.931 5.974 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccc(O)cc2)cc1Cl 170131991 GKDYIIZWOCEIMX-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2cccs2)c1 170139084 VVUZKCYZUIYYKA-JOCHJYFZSA-N 429.497 5.581 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2cccc(C)c2)c1 170141062 XWIRFDMNCLGXOS-XMMPIXPASA-N 425.484 5.021 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2c2ccccc2C)c1 170142719 GJFVAFNYYSITSX-VWLOTQADSA-N 441.527 5.874 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2cccs2)c1 170158360 AOAHZLKWGROCOS-DEOSSOPVSA-N 443.568 6.027 30 10 IKEE Cc1ccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1Cl 170169373 YRDJORVVLSDRTL-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccncc2)c1 170202569 LYLASNVYOKRPDR-XMMPIXPASA-N 442.515 5.269 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@@H]1c1cccc2ccccc12 170220889 HQHVJBSVPWVJHY-DEOSSOPVSA-N 427.500 5.153 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2)cc1C 170221935 COASFSBKIQLEAE-JOCHJYFZSA-N 433.529 5.152 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccccc2)c1 170223980 HNOJCQKBTIQLIA-XMMPIXPASA-N 427.500 5.565 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(OC)c3)[C@@H]2c2ccccc2)cc1 170224209 YGQQNWBYGXFYAR-QHCPKHFHSA-N 447.918 5.694 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2OCC)[C@H]1c1ccc(F)cc1 170243203 YBCQCQSODBLISA-JOCHJYFZSA-N 441.499 5.002 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCCC)c2)[C@H]1c1ccc(C(C)C)cc1 170245775 UKKOIEDXMJNTNN-RUZDIDTESA-N 449.591 6.367 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2ccccc2F)cc1 170249498 YJBRCEMXAOAWQE-DEOSSOPVSA-N 443.474 5.242 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2F)c1 170251665 DLUOMQDHDNXGKY-OAQYLSRUSA-N 443.902 5.399 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1cccc(O)c1)c1ccc2ccccc2c1 170256942 RPPYGKGIFGUJAR-QHCPKHFHSA-N 441.508 5.385 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2cccc(O)c2)c1 170258602 WWXQETHHUVUAPX-RUZDIDTESA-N 435.479 5.637 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccco1 170286802 IKMXRGKVKPRBJX-IBGZPJMESA-N 444.270 5.378 30 10 IKEE Cc1nc(-c2ccccc2)sc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccco1 170293415 VJKWADMNNOHOIB-HXUWFJFHSA-N 448.544 5.623 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Br)ccc3o2)[C@@H]1c1ccco1 170294373 UVCOEGUBWZINRY-SFHVURJKSA-N 444.281 5.167 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(C)o2)cc1Cl 170299656 DHDWCYVNKKZBCU-HXUWFJFHSA-N 441.842 5.172 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccc(OC)c2)c1 170329369 XOKXXTHFRVRJJQ-DEOSSOPVSA-N 443.499 5.267 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)C(C)C)[C@H]1c1ccc(C(C)(C)C)cc1 170468783 GFXGKXLRTVMEKO-OAQYLSRUSA-N 425.956 6.071 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Cl)N2 226739195 KPJZTYJQJPTTHP-IMWIBFENSA-N 440.996 5.529 30 10 IKEE C[C@]12CC[C@H]3[C@@H](CC=C4CC[C@@H](c5cccc(Cl)c5)C[C@@]43C)[C@@H]1CC[C@@H]2/C(N)=N/O 253532842 CBVQECCIKPTDJK-PILXYIHMSA-N 427.032 6.749 30 10 IKEE CCN(CC)c1ccc(/C=N/Nc2nnc(SCc3ccc(C(C)(C)C)cc3)[nH]2)cc1 253561290 BYRZNCHMWWWDCO-PCLIKHOPSA-N 436.629 5.687 30 10 IKEE CCCCCCCCCCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@H]4[C@H]3CC[C@]21C 253617972 GRAAWEGTURLYKP-CQQPOQSSSA-N 442.684 7.571 30 10 IKEE O=C(C(=NNc1cc(C(F)(F)F)ccc1Cl)C(=O)C(F)(F)F)c1cccs1 254351899 XSUJFRWVKHYNQP-UHFFFAOYSA-N 428.741 5.203 30 10 IKEE Cc1ccc(O)c(C=Nn2c(-c3ccccc3C)nc3sc4c(c3c2=O)CCCC4)c1 254398807 DIEPOURRBYOICO-UHFFFAOYSA-N 429.545 5.208 30 10 IKEE COc1cccc(C=NNc2ccc([N+](=O)[O-])cc2)c1OCCCOc1ccc(C)c(C)c1 254578398 CKKLSIBGNGWFTG-UHFFFAOYSA-N 449.507 5.514 30 10 IKEE Cc1ccc(N=C2SCC(C)(C)N2C(=O)/C=C/c2c(Cl)nc3sccn23)c(C)c1 254734017 LWTUKQQBTRGLFZ-DHYTUULKSA-N 445.013 5.721 30 10 IKEE COc1ccc([C@@H]2CC(=Nc3cccc(Cl)c3)C(=O)N2c2cccc(Cl)c2)cc1 256001954 SPBGJDSPDBEMTN-QFIPXVFZSA-N 425.315 6.253 30 10 IKEE COc1c(Cl)cc(/C=N\n2c(C)nnc2SCc2ccc(F)cc2)cc1Cl 526801193 FGQVBZHYTRCIAW-AFPJDJCSSA-N 425.316 5.216 30 10 IKEE CCCCCOc1ccc(/C=N\n2c(CC)nnc2SCc2cc(C)cc(C)c2)cc1 526809684 LHKKKZSMDDWPAP-ONUIUJJFSA-N 436.625 6.201 30 10 IKEE N#Cc1cccc(C(=O)N(C[C@@H]2CCCO2)c2nc3c(C(F)(F)F)cccc3s2)c1 585176788 IHOKYIBRGLOJDQ-HNNXBMFYSA-N 431.439 5.013 30 10 IKEE N#Cc1ccc(CN(Cc2ccccc2Cl)S(=O)(=O)c2ccccc2Cl)cc1 586173496 XVAVYLNOKYXMBL-UHFFFAOYSA-N 431.344 5.256 30 10 IKEE CCOc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2cccc(SC)c2)cc1 586252978 XPKNJTURJFLQRL-UHFFFAOYSA-N 438.574 5.074 30 10 IKEE C=CCCN(c1ccc(Br)c(C)c1)S(=O)(=O)c1ccc(OC(C)C)cc1 586256507 KMTQGZRKPXRGAB-UHFFFAOYSA-N 438.387 5.316 30 10 IKEE CCCCCCCCC(=O)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 708589364 AXSPNKNALCMIQB-LJQANCHMSA-N 440.422 6.205 30 10 IKEE CC[C@](C#N)(C1CN(C(=O)OC(C)(C)C)C1)N(Cc1cccs1)C(=O)OC(C)(C)C 716148679 YAKFBMBHHSCJEU-QFIPXVFZSA-N 435.590 5.024 30 10 IKEE Cc1nn(Cc2ccc(Cl)cc2)c(C)c1/C=C/C(=O)c1ccc(C(F)(F)F)nc1O 740765060 OKNYSYVNSNZNOZ-VQHVLOKHSA-N 435.833 5.217 30 10 IKEE CC(CC(C)C)=NNc1nc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n[nH]1 1084341864 AHAMMFUURZNBLH-UHFFFAOYSA-N 448.902 5.042 30 10 IKEE CCCOC(=O)c1cccc(-c2ccc(C=Nc3c(C)n(C)n(-c4ccccc4)c3=O)o2)c1 1084353230 UZODGGGHHBEZAA-UHFFFAOYSA-N 443.503 5.062 30 10 IKEE Cn1cccc1/C=C1/S/C(=N/c2cccc(Cl)c2)N(c2cccc(Cl)c2)C1=O 1614806252 DUYSCDJGEZLWET-SIEMAEAWSA-N 428.344 6.141 30 10 IKEE CCc1ccc(N=C2S/C(=C/C=C/c3ccco3)C(=O)N2c2ccc(CC)cc2)cc1 1772742915 RJXXUGCFOVIERG-DUNAKICDSA-N 428.557 6.769 30 10 IKEE CC(=C\c1ccccc1)/C=C1/SC(=NN=Cc2ccccc2C)N(Cc2ccco2)C1=O 1772757524 PYRWDHQGFOLKPZ-WGGZAMTRSA-N 441.556 6.041 30 10 IKEE Fc1ccc(-c2nn(-c3ccccc3Cl)cc2/C=N\NC(=S)Nc2ccccc2)cc1 1857810599 ADTNUWIHIQUDTD-WGARJPEWSA-N 449.942 5.652 30 10 IKEE CCCCCCOc1ccc(NC(=O)C(=O)/C=C/c2ccc(Br)cc2)cc1 1860725309 FVUHAZUUFZXMEG-OVCLIPMQSA-N 430.342 5.629 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)c1ccc(Cl)cc1)c1ccccc1 1861053943 UKMMFCVPJOXNMD-HSZRJFAPSA-N 429.004 6.068 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 1862398150 WSUXAKUNWKJNGR-DEOSSOPVSA-N 449.591 5.287 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@H]2c2ccccc2)cc1 1862429874 WVSZTXZDGNRGQW-HSZRJFAPSA-N 431.919 5.469 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(F)cc1F)c1cccc(Cl)c1 1862446479 TVUNJCUINYJLAX-OAQYLSRUSA-N 439.845 5.397 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccc(F)cc2)ccc1F 1862501977 OQUDEVAZFIWCAJ-QFIPXVFZSA-N 437.417 5.191 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(OC)cc3)[C@H]2c2ccc(F)cc2)cc1 1862530310 PQNFCOSUGFTDJL-DEOSSOPVSA-N 445.490 5.175 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2Cc2cccs2)c1 1862534704 VAQBEOCBTMQMJD-QHCPKHFHSA-N 447.556 5.488 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2Cl)cc1 1862536101 QTYAAQQDRCBZJJ-QFIPXVFZSA-N 432.907 5.076 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 1862538728 LBGRNKKGWHRFIF-RBZFPXEDSA-N 432.347 5.933 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1ccc(C)cc1 1862575848 HAKLTJQFIOLCCB-HSZRJFAPSA-N 437.536 5.171 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1c(F)cccc1Cl)c1cccc(O)c1 1862593772 XONJLHAPYDBZJX-IBGZPJMESA-N 443.883 5.025 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 1862616536 UDQBLKIRJPNESQ-QHCPKHFHSA-N 429.516 5.664 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862623725 WIGQLYQOQNGDAK-FQEVSTJZSA-N 443.465 5.767 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(F)cc2)cc1 1862662410 JRHQQKLSOMQONC-DEOSSOPVSA-N 435.539 6.250 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1 1862675251 FTNYSBWOPHFOAB-UNMCSNQZSA-N 443.946 6.416 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(F)cc2F)cc1 1862675753 SQMJGRRJGPFOOZ-QFIPXVFZSA-N 437.417 5.191 30 10 IKEE C[C@H](CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc(C#N)c1)c1ccc(Cl)cc1 1866717117 VMYLKEASKUYYGG-HOYKHHGWSA-N 445.950 5.071 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](Cc1ccccc1)NC(=O)C[C@H](c1ccc(C)c(C)c1)C1CC1 1868688312 FXSOQQNTZCDLLL-SVBPBHIXSA-N 444.619 5.115 30 10 IKEE CCCCCCCCCCn1cc(C(=O)N[C@@H](C)c2ccc(CC)cc2)c(O)cc1=O 1870115690 CXBCZLXEWGAEIY-FQEVSTJZSA-N 426.601 5.748 30 10 IKEE C=CCOc1cn(Cc2ccc(C)cc2)c(CNc2ccc(OCC)c(OCC)c2)cc1=O 1870813829 FZUZDQFXYMDTOS-UHFFFAOYSA-N 448.563 5.179 30 10 IKEE CCCCCCCOc1cn(CCC(C)C)c(CNc2cccc(Cl)c2C)cc1=O 1870833513 LWMGRSRGFIMHHW-UHFFFAOYSA-N 433.036 6.818 30 10 IKEE CCCCCCCCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(CC)cc1)C3=O 1871349189 PZBGHSKBHXFIHM-DIBXZPPDSA-N 447.619 7.158 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)COc4ccc(C)cc4)cc(C)c3C2=O)cc1 1871370376 YOPJFZLTZZFJKJ-OYKKKHCWSA-N 444.483 5.303 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc(C)c3C2=O)cc1 1871373503 JYRDIPFUNJNXAG-QRVIBDJDSA-N 443.455 5.609 30 10 IKEE Cc1cc(OC(=O)Cc2cc(Cl)ccc2Cl)cc2c1C(=O)/C(=C/c1cccs1)O2 1871376598 SLQVZEWGFBGSSN-ODLFYWEKSA-N 445.323 6.128 30 10 IKEE COc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1cccc(C)c1)C2=O 1871412266 PXBBXXNMBIVJNS-XHFXOGKZSA-N 443.499 5.334 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCCOc4ccc(C(C)(C)C)cc4)c3C)C2=O)cc1 1871415266 YKYWSAHGGFLMFY-ITYLOYPMSA-N 442.555 6.675 30 10 IKEE O=C1/C(=C/c2c(F)cccc2Cl)Oc2cc(OCc3cccc4ccccc34)ccc21 1871435107 ZUFIXBBSEUOCMU-QFEZKATASA-N 430.862 6.828 30 10 IKEE COC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\c2c(F)cccc2Cl)C3=O)o1 1871438792 RQHPYEGWGXFCQX-JMIUGGIZSA-N 428.799 5.054 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C)c(C)c4)cc(C)c3C2=O)c1 1871459630 UZOIVPUHGWMYLR-CFRMEGHHSA-N 443.499 5.254 30 10 IKEE CCCCCCCCN=c1nc(N2CCCCC2)[nH]c(=Nc2ccc(F)c(Cl)c2)[nH]1 1871656065 NNEMTEFBIGEBCL-UHFFFAOYSA-N 434.991 5.014 30 10 IKEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1 1871840998 MFKVEMMTSCFYHZ-JOCHJYFZSA-N 449.016 5.448 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cccc(F)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1871987685 JLOFHZZQTHWJEE-GAJHUEQPSA-N 446.588 5.063 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(Cl)c(C)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872314704 FGBOYTMAUJPRGO-HTAPYJJXSA-N 449.016 5.187 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cccc(Cl)c1C)[C@@H](C)CC)S(=O)(=O)CCCC 1872440222 WDQXPHSVGYBFGX-JXFKEZNVSA-N 429.026 5.010 30 10 IKEE CCOc1ccc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(F)cc3F)cs2)cc1OC 1872766534 HZXSKYHYMPXDNV-KRWDZBQOSA-N 442.487 5.305 30 10 IKEE CC(C)c1csc([C@H](C#N)C(=O)/C=C/c2ccc(OCc3ccccc3Cl)cc2)n1 1872774566 VKJPYEFDPBYGFS-RGFVMQALSA-N 436.964 6.389 30 10 IKEE CC(=O)Nc1ccc(CC(=O)[C@H](C#N)c2nc(-c3cccc4ccccc34)cs2)cc1 1872774964 HGNZAEIQTIETJF-QFIPXVFZSA-N 425.513 5.341 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)/C=C/c2cccc(Cl)c2)n1 1872785403 MBQTZSMNWSRRFU-ZUURVNMSSA-N 434.992 6.959 30 10 IKEE CCCCCCCCNC1=C(c2cccc(OC)c2)C(=O)N([C@H](CC)CCCCC)C1=O 1873047140 CZRBTIZTMLQPOO-JOCHJYFZSA-N 442.644 6.084 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(C)c(C)c2)=C(c2ccccc2C)C1=O 1873303311 XXEVFOPEMYRACJ-UHFFFAOYSA-N 446.635 6.945 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2OCC(C)C)=C(c2ccccc2)C1=O 1873413557 ITMXVQCHPCJSAA-UHFFFAOYSA-N 448.607 6.274 30 10 IKEE C=CCOc1ccccc1OCC(=O)Nc1nnc(SCc2ccccc2Cl)s1 1873434415 PCTBRQYUEIZEOS-UHFFFAOYSA-N 447.969 5.066 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)NCCCCCCCC)n2CCCC 1873580861 MJRUVUHCKGHVJF-UHFFFAOYSA-N 425.621 5.500 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1c2ccccc2C(=O)N([C@@H](C)CC)C12CCCC2 1873937009 WNSVYPWYRSCCNK-WIOPSUGQSA-N 440.672 6.594 30 10 IKEE CSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1cn(C)c2ccccc12 1874201431 AWGXZOUNJPTTST-VULFUBBASA-N 447.608 5.559 30 10 IKEE CCCSc1nnc(CCCOc2ccc(OC)cc2)n1/N=C/c1ccc(CC)cc1 1874222125 KUNDSKLXFUOAET-XIEYBQDHSA-N 438.597 5.245 30 10 IKEE Cc1cccc(OCCCc2nnc(SCc3ccccc3)n2/N=C/c2ccc[nH]2)c1 1874247218 SHPIGLVJPWZEQR-YZSQISJMSA-N 431.565 5.101 30 10 IKEE C=CCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874247720 SIXVLYFZYYKDGO-ZXVVBBHZSA-N 448.636 6.056 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2C)n1/N=C/c1c[nH]c2ccccc12 1874250330 XZVCCJDAWXWCFC-JVWAILMASA-N 445.592 5.630 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OCC)cc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874303714 ONOJJXXYONXCDN-WPWMEQJKSA-N 448.636 6.116 30 10 IKEE COc1cccc(CCc2nnc(SCc3cccc(C)c3)n2/N=C/c2ccccc2)c1 1874309627 GCGBBBUGKLFGKD-OVVQPSECSA-N 442.588 5.555 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(C(C)(C)C)cc1 1874367292 VMZCZFZRDCWBIY-AFUMVMLFSA-N 425.001 6.446 30 10 IKEE CCCOc1ccc(/C=N/n2c(CCOC)nnc2SCc2cc(C)ccc2C)cc1 1874472764 WMFMGHHDSQEGHQ-PCLIKHOPSA-N 438.597 5.047 30 10 IKEE O=[N+]([O-])c1ccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CC2)cc1 1874520445 MZWXQNRRQWHFQH-LSHDLFTRSA-N 448.335 5.545 30 10 IKEE Sc1nnc(C2CCCC2)n1/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 1874559639 DJZOFJWSCODIST-WYMPLXKRSA-N 447.391 5.992 30 10 IKEE CCOc1ccc(Cc2nnc(S)n2/N=C/c2cccc(OCc3ccccc3)c2)cc1 1874565365 WVGIKPVSPBWOIP-YZSQISJMSA-N 444.560 5.018 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OCc1ccc(Cl)c(Cl)c1 1874599150 XGRCHXGRUNYLSO-UXBLZVDNSA-N 441.354 7.094 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3cccc(F)c3)c2)cc1Cl 1874599845 GWYLIJODEWOOLQ-RMKNXTFCSA-N 426.871 5.971 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OCc1ccc(Cl)c(Cl)c1 1874612982 WBDHGZZDJNBWIH-FPYGCLRLSA-N 449.280 6.755 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 1874613204 IFDVSLQTBSUTHX-DHZHZOJOSA-N 449.934 5.879 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 1874615056 DWTPIGVUKRPTFD-MKMNVTDBSA-N 433.460 5.477 30 10 IKEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC 1874626914 CGBLHTCFFJTOAZ-CSKARUKUSA-N 440.536 5.364 30 10 IKEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc1Cl 1874639079 HLIDYCJXHTUXEG-RMKNXTFCSA-N 436.335 5.145 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2ccc(Cl)cc2)cc1OC(=O)C(C)C 1874700918 SLJNIIZEGGZAJZ-RMKNXTFCSA-N 437.717 5.569 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1OC(=O)c1cccc([N+](=O)[O-])c1 1874704296 HCQFIUITZLGEDP-CSKARUKUSA-N 447.443 5.036 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cccc4ccccc34)c2)cc1 1874705860 DIUHHDVFWTVDRW-XMHGGMMESA-N 434.535 7.253 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OC(=O)CC12CC3CC(CC(C3)C1)C2 1874710016 OMYCLQDXCWODDN-KRXBUXKQSA-N 448.534 6.242 30 10 IKEE CCCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1OC 1875080672 OCZHFTDYRXUFCD-SFQUDFHCSA-N 444.527 6.363 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)C1CCCC1 1875105250 LBXAKKWSOBDOPN-YRNVUSSQSA-N 433.331 6.384 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OC(=O)CC(C)C 1875105570 BEXIPMWSTRUSMC-JXMROGBWSA-N 447.358 6.578 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3[nH]c4ccc(C)cc4c3C)cc2)cc1 1875113121 XFDIUGWUTOFQNY-VIZOYTHASA-N 425.484 5.909 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 1875113692 TYTXOOIPRUPVLF-WEVVVXLNSA-N 443.789 5.642 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)c1cc(C)cc(C)c1 1875137966 LHNRNPHFKCTEFK-CMDGGOBGSA-N 448.946 6.698 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1Cl)c1ccccc1F 1875154014 JZCHIPOJALLSBN-WYMLVPIESA-N 430.862 6.748 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccncc3)c(Cl)c2)cc1Cl 1875188832 LRQDNKSWNLRGMS-GORDUTHDSA-N 428.271 5.512 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CCC12CC(CN1C(=O)OC(C)(C)C)C2)NCCC 2008789026 XSYQTIYJUJZGHI-VVCJCJSVSA-N 428.617 5.307 30 10 IKEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)C1=CC[C@@H](C(C)(C)C)CC1 2010741440 APZNKOZMWFRKQB-YADHBBJMSA-N 428.617 5.353 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C)([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 2022137283 YXRLSGLXLBBOAK-FDDCHVKYSA-N 433.524 5.106 30 10 IKEE CCN(CC)c1ccc(C=C(C(=O)c2ccccc2)c2nc3ccccc3s2)c(O)c1 2040469707 JGPJIQMERUPFDL-UHFFFAOYSA-N 428.557 6.272 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 2041560372 RENWTOCEOCMDNX-MZNJEOGPSA-N 447.551 5.497 30 10 IKEE C=CCC[C@H](C)[C@H](NCCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2041894992 XNJLOAPUJRJEIL-WFIHMLKPSA-N 444.660 5.801 30 10 IKEE CC(C)(C)N(Cc1ccccc1)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1C(F)(F)F 2052616725 UFDZLEZTCDVEBB-UHFFFAOYSA-N 434.311 5.205 30 10 IKEE O=C(C1=CCC(F)(F)CC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071357754 RPYMILZBYNDBJJ-UHFFFAOYSA-N 434.482 6.773 30 10 IKEE CC(C)Oc1ccc([C@H](C2CC2)n2nc(C(C)C)c(C#N)c2I)cc1 2080114435 VFRUUAZARFPXDJ-IBGZPJMESA-N 449.336 5.269 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@@H](C#N)c1ccc(Cl)c(Br)c1F 2097606629 DPQOWNDJEYMYKN-HNNXBMFYSA-N 439.712 6.248 30 10 IKEE CCC1(CC)OCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2155126202 QJCIZRRZOMFVKH-FQEVSTJZSA-N 437.378 5.822 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc(OCCNc2ccc(C#N)cc2Br)c1 2162418902 XZEMLDNHHXBCCB-UHFFFAOYSA-N 432.318 5.159 30 10 IKEE CCN(c1ccc(C#N)c(Br)c1)[C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 2174808741 RJGZNYNEKAJBJU-APWZRJJASA-N 436.394 5.231 30 10 IKEE C=C[C@@H](C)C[C@@H](NC)c1sc(Br)c(Br)c1Br 2212201144 UFRKSJHSZFPEQN-RNFRBKRXSA-N 432.019 5.508 30 10 IKEE N#Cc1ccc(Nc2cc(Br)c(Br)cc2N)cc1Br 2225692720 ASQGIZKEPOKQQZ-UHFFFAOYSA-N 445.940 5.172 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)CC(C)(C)[C@@H](C)NC(=O)OC(C)(C)C 2235716156 DWMDMWGYKCCQCV-AEFFLSMTSA-N 437.422 5.108 30 10 IKEE C=CCCC1([C@H](N)Cc2cc(Cl)cc(Br)c2)CN(C(=O)OC(C)(C)C)C1 2266314090 ALBRPXTTWXTKHX-QGZVFWFLSA-N 443.813 5.176 30 10 IKEE C/C=C/C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C#Cc1ccc(Br)cc1)NCCC 2296300636 KVJNUYJHFFIKJP-IKGYGIMUSA-N 435.406 5.028 30 10 IKEE O=[N+]([O-])c1ccc(C=CC=Nc2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)cc1 2297096246 ZZTDCIIRPGOJRR-UHFFFAOYSA-N 438.270 7.126 30 10 IKEE O=C(Oc1ccc(C=C2Sc3ccccc3C2=O)cc1)c1ccc(Cl)cc1Cl 2297453557 IUZVZCXMSWUNFC-UHFFFAOYSA-N 427.308 6.542 30 10 IKEE CC[C@]1(C)N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2315227679 DBYHPEQBHUXRKK-DQEYMECFSA-N 449.636 6.018 30 10 IKEE Cc1cccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccc(C)cc2C)c1 2318574279 JELLGCVBIKLKQY-UHFFFAOYSA-N 426.589 5.969 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@H](C#N)[C@@]1(C)CCCCN1C(=O)OC(C)(C)C 2318947599 WGFZBTOPMJPPMX-NTKDMRAZSA-N 447.551 5.639 30 10 IKEE CN(C)c1ccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C2CC2)cc1 2320867826 AGYXXRSIVTUNEO-UHFFFAOYSA-N 446.407 5.703 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OCc3c(Cl)cccc3Cl)cc(C)c2C1=O 2321779758 BQTUIDHHMXJRNA-UHFFFAOYSA-N 425.311 6.805 30 10 IKEE Cc1ccc(COc2ccccc2C=Nn2c(S)nnc2-c2ccccc2Cl)cc1 2321993332 RTUFYTBLGUQDRK-UHFFFAOYSA-N 434.952 5.657 30 10 IKEE CC(C)OCCN1COc2ccc3c(c2C1)OC(=Cc1c(Cl)cccc1Cl)C3=O 2322006927 KICDNGRGDLPYAN-UHFFFAOYSA-N 434.319 5.187 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(-c4ccccc4)cc1)O3)CN(C1CCCC1)CO2 2322016270 GBFRHBFOYWORQM-UHFFFAOYSA-N 437.539 6.373 30 10 IKEE CCCCCOc1ccccc1C=Nn1c(S)nnc1COc1ccc(CCC)cc1 2322156508 XLJGQBAKNADRCR-UHFFFAOYSA-N 438.597 5.550 30 10 IKEE O=C1C(=Cc2cccc(Cl)c2)Oc2c1ccc1c2CN(Cc2cccc(Cl)c2)CO1 2322211704 JDFHENAXZHEAIW-UHFFFAOYSA-N 438.310 5.962 30 10 IKEE O=C1C(=Cc2ccccc2Cl)Oc2c1ccc1c2CN(C23CC4CC(CC(C4)C2)C3)CO1 2322238535 SRWVTNFAPFEVCW-UHFFFAOYSA-N 447.962 6.077 30 10 IKEE CCn1cc(C=C2Oc3c(cc4c(c3C)OCN(C(C)C)C4)C2=O)c2cc(OC)ccc21 2322353447 SFWUDKGMQFPASR-UHFFFAOYSA-N 432.520 5.155 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCc2cccc(Cl)c2)c1 2322371830 SLZVTYVJUDNJLJ-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1ccccc1F)c1ccc(Br)cc1 2322426829 ZKDNEGVNONNXNZ-UHFFFAOYSA-N 445.715 6.717 30 10 IKEE Cc1ccc(C)c(COc2ccc3ccccc3c2C=CC(=O)c2ccc(F)cc2F)c1 2322498567 GCQDLDHTXFUZER-UHFFFAOYSA-N 428.478 7.210 30 10 IKEE O=C(C=Cc1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)c1ccc(Cl)cc1 2322528505 WANGWACMMAAQQQ-UHFFFAOYSA-N 443.886 6.877 30 10 IKEE CCOc1ccc(C(=O)C=Cc2c(OCc3ccccc3Cl)ccc3ccccc23)cc1 2322549814 ZKCFHYZMCADBNW-UHFFFAOYSA-N 442.942 7.367 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc(F)c(F)c1 2322781909 XRVWYGCDRWBHGS-UHFFFAOYSA-N 441.861 5.840 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(C)c(C)c2)c1OCc1ccccc1Cl 2322894767 BYBSKLFAYSNKEI-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OC(=O)Cc4ccc(OC)cc4)cc(C)c3C2=O)cc1 2322904369 NJOHXAAPBZANAW-UHFFFAOYSA-N 444.483 5.167 30 10 IKEE Cc1ccc(NN=Cc2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1C 2322922773 VNNGLZYRCKBVLH-UHFFFAOYSA-N 442.566 7.269 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cccc(OC)c1OCC(=O)OCC(C)C 2322926555 VSRWWSCQJKUSLZ-UHFFFAOYSA-N 446.927 5.140 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCc3cccc(C)c3)ccc3ccccc23)cc1Cl 2322975071 KKDSEDYFYJCFIT-UHFFFAOYSA-N 442.942 7.285 30 10 IKEE COC(=O)c1ccc(COc2cccc(C=CC(=O)c3ccc(Cl)cc3Cl)c2)o1 2323076058 ZOXLTLOQLIZDLQ-UHFFFAOYSA-N 431.271 5.848 30 10 IKEE COC(=O)c1ccc(COc2cccc(C=CC(=O)c3ccc(OC)c(Cl)c3)c2)o1 2323310298 PTOYZDHYWCENKZ-UHFFFAOYSA-N 426.852 5.203 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1Cl)NCc1ccco1 2323422696 GNRCEKCKVIMNSK-UHFFFAOYSA-N 449.934 5.403 30 10 IKEE Cc1c(OC(=O)C(Cl)=Cc2ccccc2)ccc2c1OC(=Cc1cccc(F)c1)C2=O 2323441430 OVKRSSWWWOKQBK-UHFFFAOYSA-N 434.850 5.936 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccccc1Cl 2323532489 GEYNAQLKOKVYSW-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE Cc1cc(OC(=O)c2ccc(C=CC(=O)O)cc2)cc2c1C(=O)C(=Cc1cccc(F)c1)O2 2323608732 JYFDIMAXLZFYPC-UHFFFAOYSA-N 444.414 5.067 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2c(F)cccc2Cl)C3=O)c1 2323792148 WJAAHMCOSWRKFR-UHFFFAOYSA-N 438.838 5.713 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 2323812744 BVXFWIBQVQUEGV-UHFFFAOYSA-N 437.879 6.122 30 10 IKEE COc1ccc(-c2csc(NN=Cc3cc(Br)c(OC)c(OC)c3)n2)cc1 2323840293 JLKFVJNTUXEMJH-UHFFFAOYSA-N 448.342 5.044 30 10 IKEE CCOc1cc(C=NNc2nc(-c3ccc(Cl)cc3)cs2)cc([N+](=O)[O-])c1OCC 2323840820 ZUZXMFJPBGECQE-UHFFFAOYSA-N 446.916 5.615 30 10 IKEE CCOc1cc(C=NNc2nc(-c3c(C)cc(C)cc3C)cs2)cc([N+](=O)[O-])c1O 2323870680 QAKKJIAIHKKRSJ-UHFFFAOYSA-N 426.498 5.194 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)C=Cc1ccc(OCC)c(OC)c1 2323879556 BSLKJJGAXUNGQG-QFIPXVFZSA-N 446.632 5.259 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc(Cl)c1OCCCO 2323888732 GVLKTLDRAHQJMS-UHFFFAOYSA-N 429.727 5.703 30 10 IKEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3cc(C)ccc3OC)cc2Cl)o1 2323992398 CPMBHIYKJKNBAK-UHFFFAOYSA-N 440.879 5.512 30 10 IKEE COc1ccccc1C=C1Oc2c(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c(O)cc(C)c2C1=O 2324097689 XCEKFBCVGUFPHS-GDJIYFAZSA-N 447.575 5.726 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3cc(OCCc4ccccc4)ccc3C1=O)cn2C 2324281692 YKIGHYIMAZFLOR-UHFFFAOYSA-N 425.484 5.425 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccccc1 2324455568 ONRSEAXMVDGGDI-UHFFFAOYSA-N 429.516 5.616 30 10 IKEE COc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)c(OC)c1 2324725716 JIKYPKGGWMZHAO-HXUWFJFHSA-N 448.544 5.342 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)C=Cc2ccc(Cl)cc2)n1 2324781155 GSUCYVSIGNNKJP-GOSISDBHSA-N 443.355 6.324 30 10 IKEE Cc1ccccc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc(C(C)C)cc1)C2=O 2325714566 LRWHIJSHWGFMOR-UHFFFAOYSA-N 441.527 6.061 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2cccc(C=CC(=O)c3ccc(C)cc3C)c2)c1 2325736079 JKNJSDZJMXJCMK-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C)n2N=Cc2ccc(OC(C)C)c(Cl)c2)c1 2326589544 JXLISGKHJVMOSY-UHFFFAOYSA-N 428.989 5.818 30 10 IKEE Cc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1ccc(OCc2ccccc2)cc1 2326660838 TZNPALIIFGLFGL-UHFFFAOYSA-N 439.544 5.212 30 10 IKEE CCCc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2ccccc2)cc1 2327365879 WFLBUMINOQVDTA-UHFFFAOYSA-N 442.588 5.984 30 10 IKEE CCCSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1cccc2ccccc12 2328568908 WYCMKWUZKOABBM-UHFFFAOYSA-N 430.577 5.805 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2)n1N=Cc1ccccc1OC(C)C 2328754153 DVXIMXIISAEGLW-UHFFFAOYSA-N 438.597 5.461 30 10 IKEE Oc1cccc(C=Nn2c(Cc3ccc(Cl)cc3)nnc2SCCc2ccccc2)c1 2329102932 CJUKCPRJGKSLMQ-UHFFFAOYSA-N 448.979 5.445 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2cccc(F)c2)n1N=Cc1ccccc1O 2330078282 IFNCRCAFGXIJJO-KRWDZBQOSA-N 432.524 5.449 30 10 IKEE Cc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCc2cc(C)ccc2C)cc1 2330273501 KLHBNTHRUWPFJX-UHFFFAOYSA-N 432.637 6.501 30 10 IKEE Cc1ccc(C=Nn2c(Cc3cccs3)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1 2330363592 TVSWLWABRGAJID-UHFFFAOYSA-N 449.561 5.322 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(Cc2cccs2)n1N=Cc1ccncc1 2330448984 QZJZUFJQXHTYCG-UHFFFAOYSA-N 443.960 5.292 30 10 IKEE Clc1ccc(CSc2nnc(-c3cccs3)n2N=Cc2ccncc2)c(Cl)c1 2330608806 XWOVPTIOBYFZMW-UHFFFAOYSA-N 446.388 5.883 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCc3ccccc3F)nnc2-c2ccccc2)cc1 2330674647 GZAKVLXHVCZXNS-UHFFFAOYSA-N 430.552 6.382 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccccc3)n2N=Cc2ccc(O)c(O)c2)c1 2330674834 RXKOCEPEIRQQMG-UHFFFAOYSA-N 430.533 5.148 30 10 IKEE C=C(C)CSc1nnc([C@@H]2CCCO2)n1N=Cc1ccc(OCCCCC)c(OC)c1 2330952111 GBEZVDGMJQODJY-FQEVSTJZSA-N 444.601 5.258 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)[C@H](C)c1ccccc1 2331042573 OGVOCBUKUPGWHA-GOSISDBHSA-N 445.471 5.599 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)c2ccc3c(c2)OCO3)c(Cl)c1 2331063810 ZEDIAAVXUIPNIY-UHFFFAOYSA-N 436.847 5.193 30 10 IKEE CCCSc1nnc(C(F)(F)F)n1N=Cc1ccc(N(CC)Cc2ccccc2)cc1 2331149690 ZASGCGXYYPYFBV-UHFFFAOYSA-N 447.530 5.708 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)CC(C)(C)C)c(Br)c2)c1 2331320680 UFOHCNCAAYYPCH-UHFFFAOYSA-N 429.354 6.304 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1cccc2ccccc12 2331385500 JIOGCEPIEPYMAY-UHFFFAOYSA-N 445.548 5.812 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C(C)(C)C)cc1O 2331397857 ACPQIZFSZXLAKT-UHFFFAOYSA-N 430.961 5.118 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OC(=O)CC1CCCCC1 2331484290 BDZTXUJGVRWXPK-UHFFFAOYSA-N 428.528 6.620 30 10 IKEE Cc1ccc(CSc2nnc(C3CCC3)n2N=Cc2ccc(Cl)c(Cl)c2)cc1 2331484778 RXCJXBQFPMGNQJ-UHFFFAOYSA-N 431.392 6.335 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CCC)c(Cl)c2)cc1 2331543410 NZSNJONJVPVFOX-UHFFFAOYSA-N 442.983 7.291 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(F)c3)cc2)cc1 2331555046 MMSNJILDFPFGNC-UHFFFAOYSA-N 436.454 5.798 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)ccc1OC(=O)COC 2331597253 XXTFCKWLEREVHX-UHFFFAOYSA-N 432.472 5.326 30 10 IKEE CCc1ccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C(C)C)cc1 2331705101 BCIYEBXSIHBXKN-UHFFFAOYSA-N 433.408 6.445 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCSC)c(OC)c2)cc1Cl 2331834960 INPSETZXMNELJO-UHFFFAOYSA-N 434.941 5.302 30 10 IKEE Cc1ccc(Cl)cc1-n1nnc(C#N)c1NC(=O)C=Cc1ccc(Cl)cc1Cl 2332187305 IDUJWDQDFQWFQN-UHFFFAOYSA-N 432.698 5.060 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Cl)cc(Br)c1F 2337107794 XNYKEWPOZZOXQF-NVXWUHKLSA-N 447.776 5.199 30 10 IKEE Cc1cccc(C(=O)N2CC[C@](C)(B3OC(C)(C)C(C)(C)O3)C2)c1NC(=O)OC(C)(C)C 2342473022 VSQFZHMMTZDMDX-DEOSSOPVSA-N 444.381 5.040 30 10 IKEE COc1ccc(CO/N=C(\C)c2cc(-c3ccc(F)cc3)n(-c3ccccc3)c2C)cc1 13286658 RDIHFESDIRQSGM-VUTHCHCSSA-N 428.507 6.541 30 10 IKEE C=CCN1C(=O)[C@H](CC(=O)c2cc(C)ccc2C)S/C1=N\c1cccc2ccccc12 15055334 GWPWPPYFTJKLHF-QWEPBSKHSA-N 428.557 5.847 30 10 IKEE Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(Cl)c(Cl)c2)cc1 21227293 LEMTYAUWXDMEOD-WXTAPIANSA-N 449.381 7.281 30 10 IKEE CCOc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)c1 21248818 YHFYPGGOLGIMMV-UZTOHYMASA-N 428.507 6.204 30 10 IKEE C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)c1c[nH]c2ccccc12 21373591 WNNDYVLLOPAKIA-HNNXBMFYSA-N 436.512 5.027 30 10 IKEE CCCn1cc(CN/C(=N\C(=O)c2cc(C)cc(C)c2)Nc2ccc(C)cc2C)c(C)n1 32972861 OAGIJKVIFYGXMN-UHFFFAOYSA-N 431.584 5.233 30 10 IKEE CCCn1cc(CN/C(=N/C(=O)c2ccc(C)c(F)c2)Nc2cccc(Cl)c2)c(C)n1 32972929 OWUVCSUHZYZYSN-UHFFFAOYSA-N 441.938 5.101 30 10 IKEE CCOc1ccc(/C=C2/S/C(=N\c3cc(Cl)ccc3OC)NC2=O)c2ccccc12 33347737 GZOSVDOXKZIIKG-CIAFOILYSA-N 438.936 5.792 30 10 IKEE COc1ccc(OCC(=O)Nc2ccc(C(=O)/C=C\c3ccc(SC)cc3)cc2)cc1 33694115 WKYOUHBZULHIMX-BNCCVWRVSA-N 433.529 5.331 30 10 IKEE CC1(C)OC(c2ccccc2)=C/C(=C\C=C/C(=O)/C=C(\c2ccccc2)N2CCOCC2)O1 33926445 SFPHJERGACFUPE-UEAICULJSA-N 443.543 5.193 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)c(OC)c2)cc1 34955197 ZHSUUVIZFSTNGT-OMCISZLKSA-N 444.527 6.117 30 10 IKEE COc1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2sccc2C)C4=O)cc1OC 41661039 DPODXGGRTBWYOK-JJFYIABZSA-N 449.528 5.042 30 10 IKEE CCCCCCCOc1ccc(CNCc2cc(OC)c(OC)cc2Cl)cc1OC 100153496 YNRXUZCBCGFZAP-UHFFFAOYSA-N 435.992 6.005 30 10 IKEE Cc1cc(N2C(=O)C(=O)/C(=C(\O)c3cc4ccccc4o3)[C@@H]2c2ccc(Cl)cc2)no1 102912729 ITVKISHVGHKKJA-LCPUNJGISA-N 434.835 5.009 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2c2ccccc2C)cc1 169926585 HDTBCJIYKWWBKF-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCCOc1ccc(Cl)cc1[C@H]1NC(=S)N(CC)C(C)=C1C(=O)c1ccccc1 169931559 VYWNYVXBVRHDDU-OAQYLSRUSA-N 428.985 5.537 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccc(O)cc2)c1 169960577 VXGSGIURVVAKDM-QHCPKHFHSA-N 431.463 5.239 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(OC(C)C)c2)cc1 169981376 NBTWYMWIJBJQBA-DEOSSOPVSA-N 433.548 5.557 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2cccnc2)c1 170006123 ASZOUCXNRRASGM-QFIPXVFZSA-N 432.907 5.443 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@H]2c2ccncc2)cc1C 170022120 CWFGGIYAOYQIDA-QFIPXVFZSA-N 432.907 5.443 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2C2CCCC2)cc1 170033894 MVPUBWRKAKIFDN-XMMPIXPASA-N 445.515 5.743 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2cccc(O)c2)cc1C 170080647 WVKDLRYDKJWPFE-QFIPXVFZSA-N 433.891 5.445 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2cccc(O)c2)cc1C 170081588 DADBHJGMDYJACC-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2ccccc2C)c1 170142921 RDRRZVSARFXEEU-SANMLTNESA-N 433.507 6.240 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCCC)[C@H]2c2cccc(C)c2)cc1 170147522 QMOZWBVFZHLJQD-VWLOTQADSA-N 449.591 6.333 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccs1 170155028 YDCCNUSLZDHVOV-KRWDZBQOSA-N 440.348 5.058 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2cccs2)c1 170160646 BZZHKQHCTKFXBJ-JOCHJYFZSA-N 449.528 5.165 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccccn2)c(C)c1 170175515 DQVXJHRVSRNNMB-VWLOTQADSA-N 434.495 5.635 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@H]1c1ccccn1 170176140 JYCMRYHNGHVLSK-XMMPIXPASA-N 442.515 5.208 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccncc1 170198298 RSWYRMUUKYYVSY-QFIPXVFZSA-N 446.572 5.528 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(Cl)c3)[C@H]2c2ccccc2)cc1 170224297 AUMFOGXGIOYKHP-HSZRJFAPSA-N 447.918 5.694 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1ccccc1)c1cc2cc(Cl)ccc2o1 170224728 AQXYGWAUTNIMEX-JOCHJYFZSA-N 445.858 5.575 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2OC)[C@@H]1c1ccc(Cl)c(Cl)c1 170246587 WDNSLTVZDZRMBQ-IBGZPJMESA-N 434.319 5.299 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccccc1F)c1cc2ccccc2o1 170246861 BBZRGPVHVFDKFG-NRFANRHFSA-N 433.460 5.412 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@@H]1c1c[nH]c2ccccc12 170255555 XUQHGDHJMVWPIX-QHCPKHFHSA-N 446.547 5.462 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C(C)(C)C)ccc3C)[C@@H]2c2ccco2)c1 170283075 YPKICORNOJDOOD-QHCPKHFHSA-N 429.516 5.977 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@@H]1c1ccco1 170284903 ZBZTYNPBUZUWOQ-JOCHJYFZSA-N 431.488 5.305 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccco2)cc1 170296133 LVYJYAFGTRZGAV-HSZRJFAPSA-N 449.478 5.232 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(C)o2)cc1C 170311389 QYRNCNIEEMACEC-QHCPKHFHSA-N 449.478 5.131 30 10 IKEE CC(C)(C)Oc1ccc(CN2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]2c2ccc(O)cc2)cc1 170447975 BHVHAJXHJJOJIG-OAQYLSRUSA-N 437.536 5.080 30 10 IKEE COCCN1C(=O)/C(=C/c2c(OC)ccc3ccc(OC)cc23)SC1=Nc1ccccc1 252619434 LPEWYPMWXQNSGF-ZYITZIQLSA-N 448.544 5.107 30 10 IKEE Cc1ccc(NC(=S)NN=CC2=C(N3CCOCC3)/C(=C\c3ccccc3)CC2)c(C)c1 254405486 ODHIEOXAGCAVSC-UYABULSKSA-N 446.620 5.039 30 10 IKEE COc1ccc(/C=C2/SC(=Nc3ccccc3OC)N(c3ccccc3OC)C2=O)cc1 254442319 XOMWYVHPOKFGDA-MPVWDOOLSA-N 446.528 5.521 30 10 IKEE CCC(C)(C)[C@H]1CCc2sc3ncnc(NN=C(C)c4ccc([N+](=O)[O-])cc4)c3c2C1 254739668 UNCNVXBRFJEQID-INIZCTEOSA-N 437.569 5.977 30 10 IKEE CSc1nc(O)c(C(=O)N2CCCCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1C#N 473518706 FNUXRASEEXONEJ-QGZVFWFLSA-N 435.471 5.157 30 10 IKEE FC(F)(F)Sc1c(I)cc(C(F)(F)F)cc1C(F)(F)F 514259984 LUPVGVHZUIRIFM-UHFFFAOYSA-N 440.068 5.941 30 10 IKEE CCOc1ccc(/C=N\n2cnnc2SCc2ccc(C(C)(C)C)cc2)cc1Cl 526805505 LEIKONWTMFXDEP-MXAYSNPKSA-N 428.989 5.802 30 10 IKEE CCCOc1ccccc1/C=N\n1cnnc1SCc1ccc(Br)cc1 526819871 MXVPSLYLUVXRKX-UUYOSTAYSA-N 431.359 5.004 30 10 IKEE O=C(NCc1cc(-c2ccc(F)cc2)ncn1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 585360531 RMXFVGHYFFGXMT-UHFFFAOYSA-N 443.322 5.250 30 10 IKEE C=CCCN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(C)c(C)cc1OC 586161926 KXVTYEDJQLNOMP-UHFFFAOYSA-N 427.488 5.098 30 10 IKEE C=CCN(CC=C)C(=O)Nc1cccc(C(=O)NC2CCCCCCCCCCC2)c1 586650331 OTWHHYNMEHVTPO-UHFFFAOYSA-N 425.617 6.296 30 10 IKEE C#CCCCCC[C@H](NCC)c1cc(Br)ccc1I 686689756 MNEPYAOYYJHSNF-INIZCTEOSA-N 434.159 5.288 30 10 IKEE COCc1cccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)c1 698443217 IWYIFQAERLYDFM-IBGZPJMESA-N 431.330 5.602 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@@H]2C[C@@H](CN2Cc2ccccc2)C1 716622500 VTPQRWCMLRVMRV-QSEAXJEQSA-N 431.580 5.683 30 10 IKEE Cc1ccc(-n2c(-c3ccccc3)cc(C=NNc3ccccc3)c2-c2ccccc2)cc1 1084480583 QDLAFHKFKSDFDM-UHFFFAOYSA-N 427.551 7.566 30 10 IKEE C=CCOc1ccc(/C=C2/SC(=Nc3nnc(C)s3)N(c3ccccc3)C2=O)cc1 1772739334 SUBAOJJBPKJFKA-VUARGGTQSA-N 434.546 5.220 30 10 IKEE C=CCN1C(=O)[C@H](CC(=O)c2ccc(OC)cc2)SC1=Nc1cccc2ccccc12 1772760078 OSFUNMCFPKSQOK-QHCPKHFHSA-N 430.529 5.239 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)c2ccc(C)c(C)c2)c(=O)cc1C(=O)O 1857891565 XGWAMGYKJKUQEZ-UHFFFAOYSA-N 441.568 5.566 30 10 IKEE C=CCN(CC=C)C(=O)Oc1cccc2c(NC(=O)COc3ccc(CC)cc3)cccc12 1858949927 IUBDTWHNSXNWBR-UHFFFAOYSA-N 444.531 5.593 30 10 IKEE CCOc1ccc(-c2cc(C(=O)Nc3ccccc3C#N)nn2-c2cccc(Cl)c2)cc1 1859407089 NNKHHVMXAGVTKG-UHFFFAOYSA-N 442.906 5.715 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)C(c1ccccc1)c1ccccc1 1861477809 XTUGFLBTAIKCAF-RUZDIDTESA-N 436.640 5.970 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C2CCCC2)c1 1862379834 MAMKGWSWKURPEQ-FQEVSTJZSA-N 430.331 5.823 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(CC)cc1 1862401558 DMYPOVHAWIXHIZ-DEOSSOPVSA-N 435.564 5.725 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@H]2c2ccccc2C)cc1 1862411251 CLPGBNFRPKSERE-XMMPIXPASA-N 447.481 5.403 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1cccc(OCCC)c1 1862461391 DORLWRYENGFXSQ-OAQYLSRUSA-N 447.453 5.271 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCC2)cc1 1862483527 BTPDRGPCFBCANJ-RUZDIDTESA-N 447.575 6.085 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1cccc(Cl)c1 1862558549 ZDPWBTKZVWQFBM-NYHFZMIOSA-N 432.907 5.262 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2[C@H](C)CC)c1 1862582413 DEWMJEYIXODLDM-ZUOKHONESA-N 448.346 5.769 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(C(=O)O)cc1 1862615451 KVSNJSSQMAMHIF-OAQYLSRUSA-N 435.520 5.061 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(Cl)c(Cl)c1 1862634188 VTIBJUMBJKQJPK-JEOXALJRSA-N 448.302 5.099 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2[C@@H](C)CC)c1 1862715304 ULMUIZGIMLAMTB-BXKMTCNYSA-N 429.516 5.615 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccccc1Cl 1862725946 VJOBCCXRFPSRHZ-DEOSSOPVSA-N 445.946 6.241 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C(=O)N1[C@H]1CCCC[C@H]1C 1862746420 GALJPKZITWZJST-QGCDCVKKSA-N 434.492 5.060 30 10 IKEE Cc1cccc(NC2=C(c3c[nH]c4ccccc34)C(=O)N(c3ccc(C#N)cc3)C2=O)c1C 1863129710 PZXCMFSCPCVNMO-UHFFFAOYSA-N 432.483 5.053 30 10 IKEE Cc1cc(C2=C(Nc3cccc(C#N)c3)C(=O)N(CCC3=CCCCC3)C2=O)ccc1F 1863462459 BZFDVOHJDGUZRH-UHFFFAOYSA-N 429.495 5.088 30 10 IKEE CCCCCCCCN1C(=O)C(NCCc2ccc(C)cc2)=C(c2ccc(C)cc2)C1=O 1863621555 QSJHEFHTDKNZCC-UHFFFAOYSA-N 432.608 5.576 30 10 IKEE CCC[C@@H](NC(=O)C[C@@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1ccc(C#N)cc1 1866777882 ZDVRWTJKTUYEPK-LOSJGSFVSA-N 443.522 5.143 30 10 IKEE CC(C)(C)c1nc(Nc2ccccc2C#N)cc(N2CCC[C@H]2Cc2ccc(Cl)cc2)n1 1868351217 SSCRTDZYBUNRLF-NRFANRHFSA-N 445.998 6.254 30 10 IKEE CCCCCCCOc1cn(CC(C)C)c(CSCc2nc3ccccc3[nH]2)cc1=O 1870252199 IKGKYEAFKGUINZ-UHFFFAOYSA-N 441.641 6.163 30 10 IKEE C=CCOc1cn(CCCCCCCCCC)c(CN2CCC(N(C)C)CC2)cc1=O 1870387095 PWDWFEIVUZFRBS-UHFFFAOYSA-N 431.665 5.080 30 10 IKEE CCCCCCCCn1cc(OCCCCCC)c(=O)cc1CNc1cccc(F)c1 1871125149 NQXHMMAHGGZZNS-UHFFFAOYSA-N 430.608 6.919 30 10 IKEE CCc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCC(C)C)cc1 1871254840 GZQSAJDGXKBGCE-UHFFFAOYSA-N 429.564 5.520 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3)cc(C)c2C1=O 1871374939 KIZUWQWXPAQIMV-FDTILGBMSA-N 446.886 5.892 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OCCCc4ccccc4)ccc3C2=O)cc1 1871399538 MTTVIGHMCODQSH-DIBXZPPDSA-N 427.544 6.161 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2)C3=O)cc1 1871404811 ARDFUADLANXALS-NQRZERFFSA-N 429.472 5.026 30 10 IKEE Cc1cc(OCc2ccc(C#N)cc2)cc2c1C(=O)/C(=C/c1ccc(-c3ccccc3)cc1)O2 1871418123 XZERFKAPSRRTRN-NTFVMDSBSA-N 443.502 6.729 30 10 IKEE CCCC[C@H](Oc1cc(C)c2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O)C(=O)O 1871423452 SNQYTVCLJZKWJQ-DUPIZPNJSA-N 435.303 5.940 30 10 IKEE CCCCCCCCCOc1ccc2c(=O)c(-c3ccc(Cl)c(Cl)c3)c(C)oc2c1 1871429911 TWCFSVANWWJKGZ-UHFFFAOYSA-N 447.402 8.205 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(CC)cc2)[nH]c(N(C)Cc2ccccc2)n1 1871585912 WBDCXMZASKMRHP-UHFFFAOYSA-N 446.643 6.008 30 10 IKEE C=CCN([C@@H](CC)C(=O)Nc1ccc(Nc2ccccc2)cc1)S(=O)(=O)c1ccccc1 1872149681 NSLXFQIQXKNEEK-DEOSSOPVSA-N 449.576 5.024 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccccc1CC)[C@@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872495503 QJXVUESNTRVGAD-YADARESESA-N 442.625 5.096 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)[C@@H](C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872763510 NVLFPCLJAOILBL-GFCCVEGCSA-N 448.287 5.524 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4nc(C)c(C)nc4c3)n2)cc1 1872770013 GSOMSTVZAFWBRH-HXUWFJFHSA-N 442.544 5.649 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3cc(Cl)ccc3Cl)n2)cc1 1872770401 RYDBUTLICRKTCS-SFHVURJKSA-N 445.371 6.325 30 10 IKEE CC(C)(C)c1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)n2)cc1 1872773579 QYJKDUUQZCLHFA-JCRIEJSWSA-N 431.517 5.905 30 10 IKEE CC(C)c1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccccc3Cl)n2)cc1 1872775937 DSWVUKGRAWKWLP-IBGZPJMESA-N 438.980 6.622 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)n2)c(C)c1C 1872778666 QCGKJWMOXHKWEF-ZAOIQFLMSA-N 433.489 5.233 30 10 IKEE CN(CC(=O)[C@H](C#N)c1nc(-c2ccccc2)c(-c2ccccc2)s1)Cc1ccccc1 1872801265 ZVLUPMONNVNRAI-QHCPKHFHSA-N 437.568 5.785 30 10 IKEE C=CCc1ccccc1OCc1ccc(C(=O)NC2CCCCCCCCCCC2)cc1 1872859138 HGLDQPUNJTZETM-UHFFFAOYSA-N 433.636 7.397 30 10 IKEE CCCCCCCCNC1=C(c2c(Cl)cccc2Cl)C(=O)N(CCCCC)C1=O 1873095829 NCJBMZRSXJUJNR-UHFFFAOYSA-N 439.427 6.214 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H](CC)CCCCC)=C(c2cc(F)cc(F)c2)C1=O 1873110478 LMTARSYGRDUBSV-JOCHJYFZSA-N 448.598 6.354 30 10 IKEE C=CCN1C(=O)C(Nc2cc(Cl)c(Cl)cc2Cl)=C(c2ccccc2Cl)C1=O 1873194487 AYJQZGGMARHILX-UHFFFAOYSA-N 442.129 5.678 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)cc2F)=C(c2cc(F)cc(F)c2)C1=O 1873318311 OTVCGYWNGIQOKZ-UHFFFAOYSA-N 448.460 5.796 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1cccn1C 1874202753 SBRAVAJSENOOBI-AFUMVMLFSA-N 437.613 5.352 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(OC)cc2)n1/N=C/c1ccc(CC)cc1 1874221453 LJCJEWSTJVLWOS-XIEYBQDHSA-N 436.581 5.021 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc(C)cc1 1874231831 DHQSDZJYRGFJMD-WPWMEQJKSA-N 426.589 6.075 30 10 IKEE Cc1ccccc1OCCCc1nnc(SCc2ccccc2)n1/N=C/c1cccn1C 1874249666 JOVAKNKFTQCGKD-NLRVBDNBSA-N 445.592 5.111 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CCc2ccc(OC)cc2)nnc1SCC(=C)C 1874305623 GUKMKGIGKIVDLY-YZSQISJMSA-N 448.592 5.187 30 10 IKEE C=CCSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874320974 TUWTUOKLVQLNSK-WYMPLXKRSA-N 447.391 5.941 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccc(C)c(C)c3)n2/N=C/c2ccccc2)c1 1874358734 XDOZDTHLTJTOLX-OGLMXYFKSA-N 440.616 6.277 30 10 IKEE COc1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCCc2ccccc2)cc1 1874380786 LAQKPYOMVSTATH-OVVQPSECSA-N 446.551 5.234 30 10 IKEE Cc1ccc(/C=N/n2c(Cc3ccc(C)cc3)nnc2SCc2ccc(Cl)cc2)cc1 1874390238 BTOLIOSCADQGBX-JVWAILMASA-N 447.007 6.314 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(F)cc1 1874394080 YCOQTUSRCRTTPN-JEWIKEISSA-N 434.515 5.883 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2Cl)n1/N=C/c1cccnc1 1874395782 VSBHJRGIMIUHNC-AEIQVQRHSA-N 433.968 5.653 30 10 IKEE Cc1ccsc1/C=N/n1c(CCc2ccccc2)nnc1SCc1ccccc1F 1874402882 NMRDBSAJLGQAGZ-MFKUBSTISA-N 436.581 5.747 30 10 IKEE COc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2)c(OC)c1 1874416776 HJOMXOSUDINTQX-YZSQISJMSA-N 444.560 5.061 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C2CCCC2)cc1 1874454610 PLUOYIKQNCOHCX-OEAKJJBVSA-N 437.525 5.027 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C(C)C)cc1 1874514783 GGHAXMCWQFOKRT-WYMPLXKRSA-N 449.407 6.282 30 10 IKEE Cc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874535146 ALTGBLPBZGFAQT-CVKSISIWSA-N 448.979 5.993 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1OCc1ccc(Cl)cc1 1874573630 XOSGJDSVFIZHPI-KPKJPENVSA-N 447.745 7.131 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2c(F)cccc2Cl)cc1C 1874573849 IHLYTTIUQQWPOE-RMKNXTFCSA-N 445.317 6.925 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(F)c(F)c1 1874585290 QSFNHFLCPIORGM-RMKNXTFCSA-N 435.898 5.542 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2ccccc2OCc2ccccc2Cl)cc1Cl 1874588339 HVAAPZDLCKKKSB-VAWYXSNFSA-N 443.326 6.486 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1OCc1cccc(C)c1 1874591911 IHRFXXBCTWKDTE-FMIVXFBMSA-N 427.327 6.786 30 10 IKEE Cc1cccc(NC(=O)COc2cccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)c2)c1 1874597590 VNZRKJRNKSWZGD-LFIBNONCSA-N 427.544 6.206 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)cc1C 1874607128 DECMJIMUPRPESV-MDWZMJQESA-N 429.516 5.534 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2OC)cc(OC)c1OCc1ccc(F)cc1 1874611942 YOCZCPXXNMXRRU-NTCAYCPXSA-N 432.491 6.047 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 1874627549 PIHXJWPFKPJCBR-YCRREMRBSA-N 440.358 5.256 30 10 IKEE C=CCOc1c(OCC)cc(/C=C/C(=O)c2cc(Cl)c(OC)cc2OC)cc1[N+](=O)[O-] 1874631405 AJWUFIGWXGVDEW-BQYQJAHWSA-N 447.871 5.125 30 10 IKEE C=CCOc1c(Cl)cc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1OC 1874635482 OQFYHJZVGOVQIJ-AATRIKPKSA-N 427.711 6.125 30 10 IKEE COC(=O)COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1Br 1874637836 UYZKYFVDMDJIOO-QHHAFSJGSA-N 444.108 5.204 30 10 IKEE COc1cccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(Cl)cc3Cl)c2)c1 1874695598 JVEAQHFTEGCRGX-DHZHZOJOSA-N 427.283 6.117 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccco3)c2)cc1OCCC 1874699667 HEJDQMZFGVLHRN-ZRDIBKRKSA-N 434.488 5.973 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2cc(Br)c(O)c(OC)c2)cc1 1874719258 RKFVSGLYRJFPFG-MDWZMJQESA-N 447.369 6.409 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc([N+](=O)[O-])c1OC(=O)C(C)C 1875097926 KLZORKWJIJBARR-FMIVXFBMSA-N 437.492 5.330 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2Cl)c1 1875116675 MUZLKVLPDVQFFB-VZUCSPMQSA-N 437.835 5.372 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)Cc1ccc(F)cc1 1875119508 YKFPPPHGSISZDD-GXDHUFHOSA-N 434.463 5.277 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2Cl)cc1 1875158230 LNMMVIFADMEBIB-VGOFMYFVSA-N 436.910 6.476 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)Cc1cccs1 1875161890 MQQVOJLZETTXET-VMPITWQZSA-N 444.455 5.088 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)ccc1OC(=O)C(F)(F)F 1875166408 ZVAUOWFZQOYZJX-HWKANZROSA-N 449.208 5.374 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(N(C)C)cc3)c(Cl)c2)cc1C 1875175387 MQWZDQJZFKEMJR-AWNIVKPZSA-N 433.935 6.138 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(Cl)c(C)c3)cc2)cc1C 1875175887 LVHNCHXFIXCMKZ-NTUHNPAUSA-N 434.919 6.146 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Br)c1OC(=O)CC(C)C 1875176911 QXDVVYCSPOVSKP-VQHVLOKHSA-N 445.353 5.922 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccco3)c(Br)c2)c(C)c1 1875183134 MDIXXZMCGUBLQE-SOFGYWHQSA-N 439.305 6.083 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1C 1875186601 DBFZTYXWRDGPBU-AWNIVKPZSA-N 431.444 5.336 30 10 IKEE C=CCN(CC=C)C(=O)c1cc2c(NCCCCc3ccccc3)ncnc2n1CCCC 1875212549 KQXOYNXFZMUMRC-UHFFFAOYSA-N 445.611 5.480 30 10 IKEE N#Cc1cncc(C2=CCN(C(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)cc3)CC2)c1 1891300261 UKEGFQGJRCSSIM-UHFFFAOYSA-N 434.326 5.857 30 10 IKEE C#C[C@H](NC(=O)[C@H](CC)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCC1 1901481162 AHEGDKYVMADWCY-UIOOFZCWSA-N 444.575 5.002 30 10 IKEE C=CCC1(NCc2c(Cl)ccc(Cl)c2Cl)CCN(C(=O)OC(C)(C)C)CC1 1924550152 BFQXSFPTZPLANC-UHFFFAOYSA-N 433.807 6.082 30 10 IKEE C=C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(C)C)[C@H](CC(C)C)C(=O)O 1927537863 BFWIEMQBKFUIJS-SQHAQQRYSA-N 435.564 5.853 30 10 IKEE CCCCCCCCCC[C@@H](N)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1947480553 DOIQOOGZABIQSK-DNQXCXABSA-N 434.665 6.345 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CCC[C@@H]2C[C@@H]21 1949680983 QMWAXFCRISIQMR-KSZLKVKMSA-N 428.617 5.211 30 10 IKEE C#CCCCCCNC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC 1995007486 WFYDHTPVBGJFJH-RXFWQSSRSA-N 446.591 5.250 30 10 IKEE CC[C@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)CN1C(=O)OC(C)(C)C 1996579953 QMMQONSMKFAZAB-MHECFPHRSA-N 429.561 5.500 30 10 IKEE C[C@@H]1CC[C@](C#N)(N(C[C@H]2CCCO2)C(=O)OC(C)(C)C)[C@@H](OCc2ccccc2)C1 1998816895 CCTLRVLLZCMJSJ-XBZNOJLSSA-N 428.573 5.070 30 10 IKEE CCCCCCC[C@@H](C)NC[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1 2025244953 KCVQHCYTSFNCBT-VWNXMTODSA-N 431.665 5.447 30 10 IKEE Cc1cc(Br)c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)s1 2029266346 CZKQOLMZUDKDSU-OAHLLOKOSA-N 425.323 5.965 30 10 IKEE Cc1c(Cl)cc(C[C@]2(C=O)CCCN(C(=O)OC(C)(C)C)C2)cc1Br 2048495890 FBWKDRQQECFOEJ-LJQANCHMSA-N 430.770 5.170 30 10 IKEE C=C1CC(C[C@@H](NCC)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1 2071268940 YOUONHLQTWEIAT-HHHXNRCGSA-N 427.588 6.852 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1)c1cccc(Br)c1 2072712756 ZXVGXLNLOGFNBY-OAQYLSRUSA-N 448.316 5.228 30 10 IKEE Cc1ccc([C@H](n2nc(C3CC3)c(C#N)c2I)C(C)(C)C)c(C)c1 2079030848 BGYMOHPUZVHMIE-SFHVURJKSA-N 433.337 5.489 30 10 IKEE Cc1ccc([C@@H](n2nc(C3CCC3)c(C#N)c2I)C2(C)CC2)c(C)c1 2079037761 ONPHCXXDKUTCPB-LJQANCHMSA-N 445.348 5.633 30 10 IKEE Fc1cc(Cn2nc(C3CCC3)c(C(F)(F)F)c2Br)cc(C(F)(F)F)c1 2079822999 RVNFJYHPISLVFZ-UHFFFAOYSA-N 445.176 6.138 30 10 IKEE CCCc1ccc([C@@H](C2CCC2)n2nc(C3(C)CC3)c(C=NO)c2Br)cc1 2079876290 HCGSHSOZEPKLKR-LJQANCHMSA-N 430.390 5.847 30 10 IKEE Brc1csc(CN=C2N[C@H](c3cccs3)CS2)c1Br 2119010654 UIXWQIPTMSIIKN-QMMMGPOBSA-N 438.235 5.268 30 10 IKEE CCC1(CC)OCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2155125306 KCWKWOUFQCJAAI-FQEVSTJZSA-N 437.378 5.822 30 10 IKEE CCN(Cc1ccccc1Nc1cc(Br)cc(C#N)c1)C(=O)OC(C)(C)C 2162414143 MDKOAGPTCVRHNS-UHFFFAOYSA-N 430.346 5.821 30 10 IKEE CC(C)(C)OC(=O)N[C@H](CCNc1ccc(C#N)cc1Br)c1ccccc1 2162417109 YIADQOISSNRGHL-GOSISDBHSA-N 430.346 5.389 30 10 IKEE C#CC[C@@H](C[C@H](NCC)c1ccc(I)c(Br)c1)C1CC1 2196854283 MTTSQBPJRXMOOG-GUYCJALGSA-N 446.170 5.144 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(F)c(Br)c(F)c1 2207154635 QATBPYQLWRPYSF-FUHWJXTLSA-N 445.348 5.075 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C1 2214839061 TVNJKVJYMGGYEA-RHGYRFJNSA-N 435.609 5.484 30 10 IKEE N[C@H](C#Cc1ccccc1Br)c1cc(Br)ccc1Br 2227474186 PRRNKMBAEBSDLB-OAHLLOKOSA-N 443.964 5.026 30 10 IKEE CCCCCCC[C@@H](N)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229122286 FFBXZBSRLWYEFU-MOPGFXCFSA-N 427.427 5.573 30 10 IKEE O[C@@H](c1cc(Br)c(Br)cc1F)C(C(F)(F)F)C(F)(F)F 2233970624 QRZBKHMCBXTMHL-ZETCQYMHSA-N 433.943 5.125 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(C)c(Br)c(C)c1 2235601028 TVMKUHRTNXMKTD-UYAOXDASSA-N 437.422 5.413 30 10 IKEE CCCC#CC[C@@H](NCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237399868 TWHWHBGKCCUOLZ-UXHICEINSA-N 437.422 5.057 30 10 IKEE C=CCCCCC[C@H](NC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237411785 GBFOJMANCAWAAS-PMACEKPBSA-N 439.438 5.609 30 10 IKEE CCC#CC[C@@H](NCCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237424406 IKHHIHGUUDWDBS-UXHICEINSA-N 437.422 5.057 30 10 IKEE CCN[C@@H](CC=CC#CC(C)(C)C)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2248482130 SWUVJDPWHOZLAS-XZOQPEGZSA-N 428.617 5.070 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCC[C@@]2(C)CNC(=O)OC(C)(C)C)c1 2258855880 LVRSXJYDJBJPNE-DQEYMECFSA-N 443.588 5.714 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)c1ccc(OCc2ccccc2)cc1 2262201353 ZXJWADYPPSDJED-MHZLTWQESA-N 432.516 5.571 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Cl)cc(C(=O)C#Cc2ccc(Br)cc2)c1 2278810695 YMUBPEDCAQXSKT-UHFFFAOYSA-N 434.717 5.684 30 10 IKEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)Nc2cccc(OCc3ccccc3)c2)c1 2282688989 BTHAKFZTXMFJHX-UHFFFAOYSA-N 443.352 5.126 30 10 IKEE CCCC[C@@H](C[C@H](C#Cc1cccc(Br)c1)NCC)NC(=O)OC(C)(C)C 2296269816 SMMPSOVMVPVAGS-PMACEKPBSA-N 437.422 5.252 30 10 IKEE O=C(C=CSc1c(Cl)c(Cl)nc(Cl)c1Cl)c1cccc2ccccc12 2297535441 YYHDSVDPEZBUNW-UHFFFAOYSA-N 429.155 7.337 30 10 IKEE CCCCCCCOc1ccc(C=C[C@@]23NC(=O)CN2c2ccccc2C3(C)C)cc1OC 2297639774 GMLLHNJKYTUSNS-MUUNZHRXSA-N 448.607 5.682 30 10 IKEE C=C(C)CN(Cc1ccccc1)[C@@](C)(C[C@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)O 2306616771 HUAPKYQCHKIWKM-BWKNWUBXSA-N 430.589 5.088 30 10 IKEE C=CCn1c(C)c(C=C2SC(=Nc3cccc(Cl)c3Cl)NC2=O)c2ccccc21 2313541560 OOACPFGITQTIQY-UHFFFAOYSA-N 442.371 6.334 30 10 IKEE O=C1C(=Cc2ccc(Br)cc2)Oc2cc(OCc3ccc(F)cc3)ccc21 2314437756 WAJXKNVAPGVPRC-UHFFFAOYSA-N 425.253 5.783 30 10 IKEE Cc1ccc(COc2ccc(C=NNc3oc([C@H]4C[C@H]4c4ccccc4)nc3C#N)cc2)cc1 2320839896 IFAOSZGUAQCAFJ-DQEYMECFSA-N 448.526 6.151 30 10 IKEE C=CCSc1nnc(CC)n1N=Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 2321014879 UIAFCUSYJNRZEE-UHFFFAOYSA-N 442.972 5.242 30 10 IKEE O=C1C(=Cc2ccccc2OC(F)F)Oc2cc(OCc3ccccc3Cl)ccc21 2321762230 QIFHDKXNFLCGBR-UHFFFAOYSA-N 428.818 6.137 30 10 IKEE Cc1ccc(C)c(CN2COc3ccc4c(c3C2)OC(=Cc2ccc3c(c2)OCO3)C4=O)c1 2322170890 FCLBZXRPFWQQHH-UHFFFAOYSA-N 441.483 5.000 30 10 IKEE CCOc1ccccc1C=C1Oc2c(cc3c(c2C)OCN([C@@H](C)c2ccccc2)C3)C1=O 2322371226 BUDYXGFUQQRIEL-IBGZPJMESA-N 441.527 5.923 30 10 IKEE COc1cccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)c1OCc1c(F)cccc1Cl 2322474934 NEPGNLKCKXHKBP-UHFFFAOYSA-N 441.842 5.871 30 10 IKEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1cccc(Cl)c1)Nc1ccccc1 2322527901 SQESVMMDCXZTGZ-UHFFFAOYSA-N 426.299 5.907 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OC)c1OCc1ccc([N+](=O)[O-])cc1 2322657685 KKMQWSQREBWPAN-UHFFFAOYSA-N 433.460 5.396 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC)c(OCc3c(F)cccc3Cl)c2)c1 2323065000 MWGLKKRNJUAZRW-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2cccc(C=CC(=O)c3ccc(C(C)C)cc3)c2)c1 2323212569 DLWPVEXTVGSSOT-UHFFFAOYSA-N 427.544 6.340 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OCc2c(F)cccc2Cl)c([N+](=O)[O-])c1 2323701924 KBBCBNHWHLQMNB-UHFFFAOYSA-N 441.842 5.871 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3cccc(Cl)c3)cc2Cl)cc1 2323766278 VZYBILGWGVNRSI-UHFFFAOYSA-N 440.326 6.215 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(C)cc2)C3=O)cc1 2323889643 MQFFKFBBIMWLLL-UHFFFAOYSA-N 442.467 5.454 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(OC)c1OCc1cccc(F)c1 2323985359 IUHHEKFDZNSSEP-UHFFFAOYSA-N 434.482 6.485 30 10 IKEE Cc1cc(O)c(CN2C[C@@H](C)O[C@H](C)C2)c2c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O2 2324017948 PAQZCJAOXXJMNL-ZIAGYGMSSA-N 448.346 5.233 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OCc1ccccc1Cl 2324140859 BCXNUBBSGFHMKP-UHFFFAOYSA-N 442.942 7.367 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1OC 2324197354 VBDHBLHPURBIPL-UHFFFAOYSA-N 433.479 5.310 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccncc2)C3=O)c1 2324456192 POTBQUOJTNANFF-GOSISDBHSA-N 428.488 5.029 30 10 IKEE COc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccc(C)cc1)C2=O 2324473658 KJWMKMVVLHKASB-GOSISDBHSA-N 443.499 5.334 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OCC)cc2OCC)cc(OC)c1OCC(=C)C 2324498550 MOIKUQPMGCGZOE-UHFFFAOYSA-N 436.548 6.072 30 10 IKEE Cc1cccc(OCCOc2cc(C)c3c(c2)OC(=Cc2ccc4c(c2)OCO4)C3=O)c1 2324536993 BFDSVRBKCTYSND-UHFFFAOYSA-N 430.456 5.106 30 10 IKEE COc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccc(Cl)cc4)ccc3C2=O)cc1 2324609748 YGOSTYLNNOVUTB-OAHLLOKOSA-N 449.890 5.371 30 10 IKEE COc1cccc(C=C2Oc3cc(OCCOc4ccc(C(C)(C)C)cc4)ccc3C2=O)c1 2324685694 BGIDIOOGXUTRQK-UHFFFAOYSA-N 444.527 6.067 30 10 IKEE COC(=O)c1cccc(COc2cc(C)c3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)c1 2324745352 XMMOELWBNQFXLO-UHFFFAOYSA-N 434.875 5.630 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OC(c4ccccc4)c4ccccc4)ccc3C2=O)cc1 2325215812 NJGHZMYOUDKACH-UHFFFAOYSA-N 448.518 6.870 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3)n2N=Cc2cccc(Cl)c2)c1 2325441822 FKZHJJQXQCBVMZ-UHFFFAOYSA-N 447.007 6.200 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1cn(C)c2ccccc12 2325610685 WGNWSDXFPMZUJC-UHFFFAOYSA-N 427.936 5.299 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccccc3OC)c2)cc1C 2325713187 RCRBBHHXFNEOHR-UHFFFAOYSA-N 446.499 5.065 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)C=Cc1cc(OC)ccc1OC 2325731968 XNRSIUCDTPYBCF-AREMUKBSSA-N 446.632 5.259 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1C 2325738642 IZJXFCWFNVNFHJ-UHFFFAOYSA-N 431.463 5.385 30 10 IKEE COc1cccc(CCC(=O)Oc2cccc(C=CC(=O)c3ccc(C(C)C)cc3)c2)c1 2325750760 RAVYRNMRVCPPJU-UHFFFAOYSA-N 428.528 6.253 30 10 IKEE COc1ccc(C=Nn2c(C)nnc2SCc2ccc(Cl)cc2)c(Cl)c1OC 2326350469 NZZIPIBFNQWAAB-UHFFFAOYSA-N 437.352 5.085 30 10 IKEE CCOc1ccc2ccccc2c1C=Nn1c(CC)nnc1SCc1cc(C)cc(C)c1 2326409445 ZRUNRKNDAPEDJR-UHFFFAOYSA-N 444.604 6.184 30 10 IKEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccccc1C(F)(F)F 2326511986 IOQBCBZYLMFEEI-UHFFFAOYSA-N 445.297 6.087 30 10 IKEE Cc1ccccc1CSc1nnc(COc2ccccc2Cl)n1N=Cc1ccncc1 2327619129 OLGQKUJHPKLWDG-UHFFFAOYSA-N 449.967 5.388 30 10 IKEE Cc1ccsc1C=Nn1c(COc2c(C)cccc2C)nnc1SCc1ccccc1 2328556659 YHWHVMRTACLWHS-UHFFFAOYSA-N 448.617 6.018 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1ccc(OCC)cc1 2328567356 PLOFXZHLZJABQS-UHFFFAOYSA-N 436.581 5.217 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2)n1N=Cc1ccccc1OC(C)C 2328754055 HXGXYQLRBSBQGF-UHFFFAOYSA-N 436.581 5.237 30 10 IKEE CCCSc1nnc([C@H](C)c2ccccc2)n1N=Cc1ccc(OC(C)C)c(OC)c1 2330123495 MCTCTQRLPXIYEM-GOSISDBHSA-N 438.597 5.610 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@@H](C)c3ccccc3)n2N=Cc2cccnc2)c1 2330132068 HVIKEERSIQCOIW-FQEVSTJZSA-N 427.577 5.616 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2)ccc1OC(=O)c1ccccc1F 2330874291 MJAMSWUQIKVWCT-UHFFFAOYSA-N 434.463 5.657 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Cl)c(OC(=O)c2ccccc2C)c(OC)c1 2331049746 OXAAEFKZCWGYNV-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE Cc1ccccc1CSc1nnc(C(F)(F)F)n1N=Cc1ccccc1OC(C)C 2331112495 GZKCIYLINJAGJA-UHFFFAOYSA-N 434.487 5.567 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)CSc1ccccc1 2331183385 CXROJAUWQJRZSW-UHFFFAOYSA-N 444.552 6.018 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccco3)n2N=Cc2ccc([N+](=O)[O-])cc2)c1 2331208183 QHCDQHDZTBYFRA-UHFFFAOYSA-N 433.493 5.238 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)CCOc1ccccc1 2331259768 YZLMDHJNSUUQRV-UHFFFAOYSA-N 446.499 5.283 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)COCc1ccccc1 2331327611 YLUGKUDGFADLQY-UHFFFAOYSA-N 444.527 5.720 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)CSc1ccccc1 2331450528 UZNVQFYXYDODJB-UHFFFAOYSA-N 448.496 5.018 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)c1cncc(C)c1 2331493321 XDYBUWVQKRHCJB-UHFFFAOYSA-N 445.515 5.646 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)CC(C)C)c(Cl)c2)c1 2331675457 RFQSXZLMWIAZOX-UHFFFAOYSA-N 430.928 5.985 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2cc(OCC)ccc2OCC)cc1OCC 2331684546 PSCPNFAVBNVCPS-UHFFFAOYSA-N 440.536 5.874 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)[C@H]3C[C@H]3c3ccccc3Cl)cc2)c(C)c1 2331764459 UJNJQSJPVQRLOA-ZEQRLZLVSA-N 444.958 6.870 30 10 IKEE C[C@@H](C1CC1)N(Cc1ccccc1)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(F)(F)F)n1 2339594694 YFAIRNZKXIUUGK-INIZCTEOSA-N 446.322 5.205 30 10 IKEE C#CCOCCCCCNCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2344244055 MCCHGYMCZWRHIO-UHFFFAOYSA-N 443.587 5.754 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccc(C#N)cc2Br)[C@@H]1C(F)(F)F 2370056137 BQTLJBLJYJIRQL-HUUCEWRRSA-N 448.283 5.063 30 10 IKEE CC1(C)OB(c2ccc(COCc3cccc(Cl)c3)cc2Br)OC1(C)C 2377329316 KWJVVRIQGSKGKS-UHFFFAOYSA-N 437.570 5.119 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)/C=C/c2ccc(C(C)C)cc2)nc2c(C)cccc12 12240233 BFRVNRXAZSAHKC-JLHYYAGUSA-N 435.531 5.684 30 10 IKEE CC(C)Oc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(O)cc2)cc1 21220192 GTSVZGFFFFKFHC-PIIWDFAUSA-N 440.543 6.159 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(C(F)(F)F)cc2)cc1 21252998 DQFSWVBWRZBWFU-APWZRJJASA-N 429.438 5.108 30 10 IKEE CC/C=C(\CC)C(=O)c1ccccc1[C@H](C[C@H](C)CC)NS(=O)(=O)c1ccc(C)cc1 32105750 FDXBWQQSFVREBJ-MEHUHXTMSA-N 441.637 6.380 30 10 IKEE Cc1ccc(Cl)cc1-c1ccc(/C=C2\S/C(=N\c3ccccc3Cl)NC2=O)o1 33347567 BFHPEEGDNAPDDT-ODLFYWEKSA-N 429.328 6.453 30 10 IKEE CCOC(=O)C1=C(Nc2ccc(Cl)cc2)S/C(=C/c2ccc(C(C)(C)C)cc2)C1=O 33725775 JNHVMCJKEAPXRS-XMHGGMMESA-N 441.980 6.181 30 10 IKEE COc1cc([C@@H]2c3sc(O)nc3SC[C@@H]2C=O)ccc1OCc1ccc(Cl)cc1 35531303 MJZKPHKXIPBTSD-KSSFIOAISA-N 447.965 5.142 30 10 IKEE C=CCC[C@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)CC1CC1 36316329 WHNIARBJICOFNS-DEOSSOPVSA-N 445.607 5.766 30 10 IKEE C=CCOc1ccc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2Cc2ccco2)cc1 38592564 IPLGWAAVVHIGEC-XMMPIXPASA-N 441.483 5.313 30 10 IKEE Cc1cc(O[C@H](C)C(=O)c2c(C)c(C#N)c(=O)n(C3CCCCC3)c2O)cc(C)c1Cl 38618316 WLVBFPNHZZIDLU-MRXNPFEDSA-N 442.943 5.160 30 10 IKEE COc1ccc(Oc2ccc(C(F)(F)F)cc2/N=C/c2cc([N+](=O)[O-])ccc2O)cc1 59516441 IBRNPUOPRPYZLD-BRJLIKDPSA-N 432.354 5.871 30 10 IKEE Clc1ccc(/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 59678770 GTUREIADSOIODU-UFFVCSGVSA-N 427.150 7.251 30 10 IKEE C=CCn1c(SCCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1cccc(OC)c1 59808061 DTBBVMYTIQIKFX-UHFFFAOYSA-N 442.972 5.222 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)S/C1=N/c1ccncc1Cl 101127110 WGKVWCKTLAJBCE-PMAZNBEWSA-N 430.316 5.882 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1cccc(OC)c1OC 135880783 TUQHPKQZIOOUMO-QRVIBDJDSA-N 430.961 5.076 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2cccc(C)c2)cc1 169968887 OIUPUVMBYFYQPS-XMMPIXPASA-N 443.499 5.185 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccc(OC(C)C)cc1 169978684 YNOIYLMFNNGHIK-DEOSSOPVSA-N 446.547 5.724 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1cccs1)c1cccc2ccccc12 169983900 RRRPRPGVJQANJR-QFIPXVFZSA-N 447.462 5.962 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@@H]1c1cccs1 169984834 GGNWMTQJHDWKQJ-QFIPXVFZSA-N 437.948 5.812 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2C2CCCCC2)c1 170039428 KGPFJBGKZPWFRA-QHCPKHFHSA-N 435.520 5.005 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)cc1C 170062782 VEMCRJUCUMYNEB-JOCHJYFZSA-N 435.882 5.879 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccccc2C)cc1 170088643 DQXNLJOJBDFPDV-XMMPIXPASA-N 427.500 5.403 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@H]1c1cccc(OC(C)C)c1 170153409 DQQYTGHIZPLDIN-JOCHJYFZSA-N 437.536 5.088 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccn2)cc1 170169865 UHGRLCWUVWQODA-QHCPKHFHSA-N 446.478 5.038 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccccn2)cc1 170170219 OHZFSZMNBUTCKO-XMMPIXPASA-N 442.515 5.270 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccccc1 170227094 XAQZWPGUSYNJIQ-HSZRJFAPSA-N 427.500 5.403 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1 170231522 PMTGVFJNQPQXPF-XMMPIXPASA-N 431.576 6.204 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2OC)[C@@H]1c1ccc(C(C)C)cc1 170245921 WLUKGJVIERROJF-DEOSSOPVSA-N 435.564 5.896 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@H]1c1ccccc1F 170252531 NJJWPXOPTDTSHP-JOCHJYFZSA-N 439.527 5.510 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1c[nH]c2ccccc12 170255332 FTRNOSZVIMEGOX-FQEVSTJZSA-N 443.330 5.853 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccc(O)c2)cc1C(C)C 170259179 UXVDSTIPMHWIGO-XMMPIXPASA-N 443.499 5.307 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(OC)c(O)c1 170322624 FXFAICZPHGUYRP-DEOSSOPVSA-N 445.515 5.323 30 10 IKEE Cc1cccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2nc3cc(C)c(C)cc3s2)c1 170462115 HXCXTJOJQZQFNH-QFIPXVFZSA-N 434.561 5.737 30 10 IKEE CCCCCCC[C@@H](C(=O)O)N(CCC)C(=O)OCC1c2ccccc2-c2ccccc21 226795054 BTINMUBBEGHRCY-VWLOTQADSA-N 437.580 6.461 30 10 IKEE CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC(=NO)[C@H]4CC(=NO)CC[C@]4(C)[C@@H]3CC[C@]12C 254287174 MXIKNOBYVNLDDR-HHZICVRHSA-N 430.677 7.378 30 10 IKEE CC[C@H]1CSC(=Nc2ccccc2C(F)(F)F)N1Cc1ccc(Cl)cc1Cl 254808268 ODDXNUYEEPETJJ-AWEZNQCLSA-N 433.326 7.027 30 10 IKEE COCc1cc(C)nc2sc(-c3ccc([N+](=O)[O-])cc3)c(N=Cc3ccc(C)cc3)c12 254845843 SEJPPBXUHMDEBF-UHFFFAOYSA-N 431.517 6.385 30 10 IKEE C=C(CC[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]12C 257445885 ILQUAQTXYDCHSY-MOSKJBISSA-N 442.728 7.546 30 10 IKEE N#Cc1ccc(Nc2ccc(Br)c(I)c2)c(Cl)c1 302447503 VDIHMRRYXAMMAI-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE CCCc1nnc(SCc2ccccc2)n1/N=C\c1ccc(OC)c(OC)c1Cl 526799359 FQTLPDXTPJDDSH-QRVIBDJDSA-N 430.961 5.076 30 10 IKEE CCCCOc1ccc(/C=N\n2cnnc2SCc2ccc(Cl)cc2)cc1OCC 526806891 ZPSWHYDBPBIURB-QFEZKATASA-N 444.988 5.684 30 10 IKEE CCCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1ccc(O)cc1 526815401 SXZCLVBTQRBPBS-FMCGGJTJSA-N 435.380 5.808 30 10 IKEE CCCCCCCCCCCCC[C@H](OC)[C@H](O)[C@@H](O)CCOC(=O)c1ccccc1 585667889 QYIXQJPTLUBFQX-CCDWMCETSA-N 436.633 5.671 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)N[C@H]3CCCC[C@@H]3C)C2)c1 585932068 DKANKVGQIUKARZ-PMOQBDJRSA-N 440.632 5.007 30 10 IKEE CCCCc1ccc(N(CCCC#N)S(=O)(=O)c2ccc(Br)cc2)cc1 586206870 AUEOFDCYKUYZBT-UHFFFAOYSA-N 435.387 5.291 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H]1C(C)(C)[C@@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 693750859 GZDSOCRZNUCQIV-RRQZXNHTSA-N 447.620 5.484 30 10 IKEE COc1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)ccc1O 698444208 MAOALVPZHIDTSZ-MRXNPFEDSA-N 433.302 5.170 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@H](C#N)c1ccc(OCc2ccccc2)cc1 698927081 BIIUITPEBUHXDU-RUZDIDTESA-N 434.580 6.790 30 10 IKEE C=CCOc1ccc(C=Nc2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1OC 1084266672 KBOFAUGUUOVDKD-UHFFFAOYSA-N 446.572 6.203 30 10 IKEE C[C@@]12CC[C@@]3(C)C(=O)/C(=C/c4ccncc4)C[C@]3(C)[C@@]1(C)CC[C@]1(C)C[C@H](O)CC[C@@]21C 1084337198 GYTNBVPAHRXQRC-STIVSLKFSA-N 435.652 6.608 30 10 IKEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1594698076 KBGJDVSJILVGGK-UHFFFAOYSA-N 448.596 5.211 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=Nc1nccs1 1772724694 XUVBPNFVMVPVDO-UBLAJHMLSA-N 438.490 5.101 30 10 IKEE CN1C(=O)/C(=C/C(Cl)=C\c2ccccc2)SC1=Nc1nc(-c2ccccc2)cs1 1772736838 JFZGEKGLDWXPMH-WPPINMALSA-N 437.977 6.167 30 10 IKEE C=CCN1C(=O)/C(=C\c2cccc(OC)c2)SC1=Nc1nc(-c2ccccc2)cs1 1772739810 VRTSULBSGWYHNU-SKYIDQJDSA-N 433.558 5.609 30 10 IKEE Cc1ccc(C)c(NC(=O)c2oc3c(c2C)C(=NNc2ccc([N+](=O)[O-])cc2)CCC3)c1 1772748634 VUAMOLVBVNIQNK-UHFFFAOYSA-N 432.480 5.518 30 10 IKEE Cc1sc2nc(-c3cccnc3)n(Cc3cccc(C#N)c3)c(=O)c2c1-c1ccccc1 1857803579 ABWGGZXQMHSHCH-UHFFFAOYSA-N 434.524 5.415 30 10 IKEE Cc1ccc(NC(=S)N/N=C\c2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)cc1 1857812127 VFITZBRRNYWODX-DICXZTSXSA-N 443.551 5.616 30 10 IKEE CC[C@H](C)N(C(=O)c1cccc(C#N)c1)c1ccc(-c2nc3ccc(C)cc3s2)cc1 1859904012 GIVSYGDMCRVPTO-SFHVURJKSA-N 425.557 6.589 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2Cl)cc1C 1862403509 XXCXTMREKYLCDH-QFIPXVFZSA-N 439.939 5.568 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cccc2ccccc12)c1cccc(Cl)c1 1862449246 GXHKFKZMZVAXOA-DEOSSOPVSA-N 445.946 6.404 30 10 IKEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(O)cc2)cc1 1862474694 RXGACYLMLVXZGL-OSPHWJPCSA-N 443.499 5.049 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2c(F)cccc2Cl)cc1 1862480606 KQLPPWDXGJTXEA-HSZRJFAPSA-N 449.909 5.874 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@@H]2c2ccccc2C)c1 1862489747 FNRGWWZHOVLLGO-XMMPIXPASA-N 445.946 6.044 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc3ccccc23)c1 1862494118 FWYZBSDKVLTXIE-AREMUKBSSA-N 448.522 5.630 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1c(F)cccc1Cl 1862494131 GAVQDOFOMWKZTJ-OAQYLSRUSA-N 429.919 5.864 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1F 1862505070 JQZGEOAVCUPABG-HSZRJFAPSA-N 447.506 5.803 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(OC)cc1 1862652506 IGSPIQGWFFZAFK-RUZDIDTESA-N 443.543 6.007 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 1862666694 KEBHOLDFBAHCQM-RUZDIDTESA-N 447.619 6.732 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cc(C)ccc2C)cc1 1862672331 ALWVNUXAOJNQGG-VWLOTQADSA-N 443.518 5.783 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(Br)cc1 1862681033 PZQZTJJFLKZLKO-LJQANCHMSA-N 446.316 5.213 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1c(F)cccc1Cl 1862704891 LAMLZXBSWFNZPO-HXUWFJFHSA-N 431.891 5.256 30 10 IKEE CC(C)c1nc(Nc2ccccc2C#N)cc(N2CCC[C@H]2Cc2ccc(Cl)cc2)n1 1868238140 LFANWNYXOCSAHJ-NRFANRHFSA-N 431.971 6.080 30 10 IKEE Cc1ccc2c(c1)CCN(c1cc(Nc3ccc(C#N)cc3)nc(C(C)C)n1)[C@@H]2CC(C)C 1868242536 PXEROGWMEBUHPB-RUZDIDTESA-N 439.607 6.674 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2)c(=O)cc1CNc1ccc(C)cc1C 1870898542 XEBSICBGFOTEAS-UHFFFAOYSA-N 446.635 7.017 30 10 IKEE C=CCn1cc(OCC2CCCCC2)c(=O)cc1CNc1ccc(N2CCCCC2)cc1 1870913451 QEGKXAIAFYQEGC-UHFFFAOYSA-N 435.612 5.596 30 10 IKEE O=C1/C(=C/c2ccccc2)Oc2c1ccc1c2CN(C(c2ccccc2)c2ccccc2)CO1 1871351324 UZPOPDYYKIOXQY-IMRQLAEWSA-N 445.518 6.244 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(C(C)(C)C)cc1)C3=O)CN([C@@H]1CCCC[C@@H]1C)CO2 1871356109 VMXHXVSVYWLXHI-ZTSONJKLSA-N 445.603 6.639 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)ccc2C1=O 1871374743 BXVIYJXCMZWBOX-QRVIBDJDSA-N 445.427 5.137 30 10 IKEE Cc1c(OC(=O)c2c(F)cccc2Cl)ccc2c1O/C(=C\c1cccc(F)c1)C2=O 1871375265 BYAXIJKNNYLOFI-ODLFYWEKSA-N 426.802 5.762 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\C=C\c2ccccc2)C3=O)c(OC)c1 1871386825 PDKOZIHIICYVSO-YSNDTTCLSA-N 442.467 5.404 30 10 IKEE CC(C)C(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)c1 1871390154 ITEXFQPSNIWTOR-FMCGGJTJSA-N 446.430 5.223 30 10 IKEE C[C@H](Oc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O)C(=O)Nc1ccc(F)cc1 1871401182 VXJMLEQGQYZNBT-ZDXHCBJDSA-N 437.854 5.501 30 10 IKEE COc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1cccc(C)c1)C2=O 1871411250 HFLXMNIXHOORKA-YNJLWJOVSA-N 443.499 5.334 30 10 IKEE Cc1c(OCC(=O)N[C@@H](C)c2ccccc2)ccc2c1O/C(=C\c1ccc(Cl)cc1)C2=O 1871424775 WIIYQZXUEQRJLS-PGECNJAHSA-N 447.918 5.521 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(F)c(F)c2F)ccc2c1O/C(=C\c1ccccc1)C2=O 1871442925 FZMDCONWFQIOMK-ODLFYWEKSA-N 439.389 5.046 30 10 IKEE Cc1ccccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871453669 LRWHIJSHWGFMOR-QFEZKATASA-N 441.527 6.061 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(F)cc2)cc2c1C(=O)/C(=C/c1cccc(Cl)c1)O2 1871456430 DXEBRNIPBSFTIP-NHDPSOOVSA-N 437.854 5.421 30 10 IKEE CCCCCCCCN=c1nc(N2CCC[C@@H](C)C2)[nH]c(=Nc2cc(Cl)ccc2C)[nH]1 1871514455 USBDJAGWLAQKSX-GOSISDBHSA-N 445.055 5.430 30 10 IKEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1cccs1 1872019669 YPIFVZVEFABVEA-LJQANCHMSA-N 434.627 5.030 30 10 IKEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)c(C)c1 1872769180 LPNHGSQTXOUEOU-PBHICJAKSA-N 445.371 6.378 30 10 IKEE N#C[C@H](C(=O)/C=C/c1ccc(Cl)cc1Cl)c1nc(-c2c[nH]c3ccccc23)cs1 1872777522 PQZAXWYDENNYDL-IQIBNGDESA-N 438.339 6.488 30 10 IKEE C=CCc1ccccc1OCc1cccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 1872834241 ROSRSDGZHGVLAX-UHFFFAOYSA-N 445.868 6.919 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(F)c(C)c2)C(=O)N(C2CCCCC2)C1=O 1873153106 QAYOUSOPRAKXRK-UHFFFAOYSA-N 442.619 6.277 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2[C@H](C)CC)=C(c2ccc(Br)cc2)C1=O 1873177065 BASOOTACDUNIJV-OAHLLOKOSA-N 439.353 5.341 30 10 IKEE N#Cc1nc(-c2ccccc2)oc1N/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1873470711 OZPLEYSDXPEXBJ-UXHLAJHPSA-N 444.494 6.391 30 10 IKEE C=CCSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1cccc(Cl)c1 1874226419 JPLKQXPAZQKXQK-PCLIKHOPSA-N 441.000 5.720 30 10 IKEE CSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1ccc(Cl)cc1Cl 1874245705 ROZXBKNVENKBLO-YDZHTSKRSA-N 435.380 5.509 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccc(C)c(C)c3)n2/N=C/c2ccc[nH]2)c1 1874330955 NEPDNYMDCBHRMN-JVWAILMASA-N 429.593 5.491 30 10 IKEE COc1ccccc1/C=N/n1c(Cc2ccc(C)cc2)nnc1SCc1ccc(C)cc1 1874386401 NKAMSGVJMCJEAQ-WPWMEQJKSA-N 442.588 5.669 30 10 IKEE C=C(C)CSc1nnc(CC2CCCCC2)n1/N=C/c1ccc(OCCCC)cc1 1874407624 HKSYHFCSEULSGW-KOEQRZSOSA-N 426.630 6.130 30 10 IKEE CC(C)(C)c1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccccc2)cc1 1874407766 OIAYIGVBOLYTMK-TURZUDJPSA-N 446.664 6.873 30 10 IKEE Cc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SCC(=O)Nc2cc(C)ccc2C)c1 1874437171 NQKGJSDXCQBGLZ-CVKSISIWSA-N 449.624 5.405 30 10 IKEE Cc1ccc(CSc2nnc(C(F)(F)F)n2/N=C/c2ccc(C(F)(F)F)cc2)cc1 1874458897 LLYIZXRZVHUGNW-NSKAYECMSA-N 444.404 5.799 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2/N=C/c2cccc(C)c2)cc1 1874465761 ZZUXUVAJFXHPGS-MFKUBSTISA-N 445.548 5.022 30 10 IKEE CC(C)(C)c1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccc(O)cc1 1874484752 LOPAWELOZGZMJB-FOKLQQMPSA-N 435.380 5.763 30 10 IKEE Cc1ccccc1CSc1nnc(C2CCC2)n1/N=C/c1ccc(Br)cc1 1874495192 ZIKFCUAZSWLNSG-YDZHTSKRSA-N 441.398 5.791 30 10 IKEE CCCc1nnc(SCCc2ccccc2)n1/N=C/c1cccc(Br)c1 1874507953 DZIZTOGRCJONFW-PXLXIMEGSA-N 429.387 5.210 30 10 IKEE CCCOc1c(/C=N/n2c(SCCc3ccccc3)nnc2C2CC2)cccc1OC 1874521524 XEXGXXNPWWALJW-KOEQRZSOSA-N 436.581 5.170 30 10 IKEE CCCOc1c(/C=N/n2c(S)nnc2CCc2cccc3ccccc23)cccc1OC 1874567544 CQVOGPOBZJKEJZ-YZSQISJMSA-N 446.576 5.185 30 10 IKEE CCCCOc1ccccc1/C=N/n1c(S)nnc1CCCOc1ccc(CC)cc1 1874568375 VQDLAHPXTPCSDK-XIEYBQDHSA-N 438.597 5.202 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(Cl)cc2/C=C/C(=O)c2cccc(OC)c2)o1 1874572237 CLOGTFUMFIHMLG-JXMROGBWSA-N 440.879 5.593 30 10 IKEE Cc1cccc(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1 1874578815 IKWYEYZOCADFNK-ZRDIBKRKSA-N 440.326 6.215 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(F)c(F)c2)c1OCC(=O)Nc1ccccc1C 1874584694 AXAUIDXVBITYNG-ACCUITESSA-N 437.442 5.195 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1cccc(OCc2ccccc2Cl)c1 1874599450 NKMMJJKYWXRBDE-MDZDMXLPSA-N 447.745 7.131 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(OC)c1OCc1ccccc1Cl 1874611270 GDDQSSXBXSZBAP-JXMROGBWSA-N 444.861 6.111 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc(OC)c1OCc1ccccc1 1874626412 DNWZGIRJQBQDOH-FYWRMAATSA-N 442.555 6.524 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 1874627153 GHXONNIKGZACRE-VZUCSPMQSA-N 439.414 5.747 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c(C)c3)c2)c1 1874696326 SLRGSGJJBCRVHO-DHZHZOJOSA-N 446.499 5.065 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OC(=O)c1ccc(C(C)(C)C)cc1 1874698831 PYXQEARBUIGKRX-MHWRWJLKSA-N 444.527 6.117 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2cccc(OC)c2)CSc2nnc(C3CC3)n21 1874845794 PZWVQPHFGVLJSR-HXUWFJFHSA-N 428.602 5.226 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3ccc(C)c(C)c3)c(OC)c2)cc1 1875103564 FPNBHJIJBXWPOU-UKTHLTGXSA-N 448.946 6.643 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)c1cccnc1 1875111701 IUNZXNFJMPKCHK-MDZDMXLPSA-N 442.298 5.902 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3sccc3C)c(OC)c2)cc1 1875112317 CGOCRJOIQJZVPU-RUDMXATFSA-N 442.920 5.842 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1 1875114763 UQKZLMZQNAXCRE-SDNWHVSQSA-N 437.289 5.573 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)Cc1ccc(C)cc1 1875119965 VOUHYAZAOZZULD-FYWRMAATSA-N 430.500 5.447 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2)c(Br)c1)c1cccc(Cl)c1 1875121509 STWPDEVCNCOFOS-PKNBQFBNSA-N 441.708 6.218 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1ccc(Cl)cc1 1875133404 SSWZBNUJWCCJKJ-AWNIVKPZSA-N 436.891 5.781 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OC 1875157444 YTAKNOVLBVNBRW-LDADJPATSA-N 436.592 7.371 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 1875158637 GPHGGBLCKGFZHJ-YCRREMRBSA-N 448.534 6.242 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Br)c1OC(=O)C(C)C 1875164185 WXGBBWPETYIMBG-QPJJXVBHSA-N 439.252 5.193 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2cc3ccccc3n2C)cc1 1875169948 VNCHAQZUZIYIIN-SDNWHVSQSA-N 439.511 5.919 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3F)cc2)c2ccccc12 1875191081 YUVNBXPVUGYZTG-FOWTUZBSSA-N 426.443 6.103 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)CCc3c(Cl)cccc3Cl)cc21 1890678139 XIEFGERWXQUHDS-UHFFFAOYSA-N 447.362 5.502 30 10 IKEE C[Si](C)(C)C#CCNc1c(Br)cc(Br)cc1Br 1916975626 SZUSMJDPDCTDKL-UHFFFAOYSA-N 440.049 5.267 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(C)CCCC[C@@H]1NC(=O)OC(C)(C)C 1922103356 MEHOYNONIWXIDX-JCYRPKCISA-N 430.633 5.601 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(C)cc(Br)c1F 1926716363 SVGTVCDJHWVWTG-WMZOPIPTSA-N 429.374 5.407 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCC[C@H]2NC(=O)OC(C)(C)C)cc1 1943909021 BIJPLHZGBMLYSY-DVECYGJZSA-N 429.561 5.466 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCC2)C[C@H]1C1CCC1 2018419658 LTPJWPFDQZOSBC-YADARESESA-N 433.593 5.238 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@H](C#N)[C@@]1(C)CCCN1C(=O)OC(C)(C)C 2020799610 YGQGYHUBINSKPD-WZONZLPQSA-N 433.524 5.249 30 10 IKEE CC1(C)OB(c2ccc(C(F)(F)F)c(N(Cc3ccccc3)C3CCC3)c2)OC1(C)C 2052616363 OWFBIIFANNBPDG-UHFFFAOYSA-N 431.307 5.564 30 10 IKEE CCOc1cc(-c2nc3ccccc3n2CC#N)ccc1OCc1ccc(F)cc1Cl 2060406018 YDJYHHCMIRVTNN-UHFFFAOYSA-N 435.886 5.997 30 10 IKEE C#CC[C@@H](CNCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C1CC1 2076056223 LRAHIPFWOUZVFF-MHZLTWQESA-N 425.572 5.984 30 10 IKEE CCc1nn([C@@H](c2ccc(C)cc2C)C(C)(C)C)c(I)c1/C=N/O 2079005744 PBUQDIWIFANVNJ-RYFGYPJOSA-N 439.341 5.111 30 10 IKEE CC[C@H](c1ccc(C)c(F)c1)n1nc(C2CCC2)c(/C=N/O)c1I 2079137771 DFVFPUNDLUJEMG-PPAWOMOGSA-N 441.288 5.010 30 10 IKEE CC(C)(C)c1nn(Cc2cccc(C(F)(F)F)c2F)c(Br)c1C(F)(F)F 2079832043 OFKSIGNLNXKQDG-UHFFFAOYSA-N 447.192 6.168 30 10 IKEE CC(=O)Oc1ccc([C@@H](n2nc(C(C)C)c(C=NO)c2Br)C(C)(C)C)cc1 2080074707 MJXZFPTZAPKZIL-GOSISDBHSA-N 436.350 5.138 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1c1cc(Cl)n2nc(C3CCCC3)c(C#N)c2n1 2081190841 SYRMAJVGRNYQCG-QGZVFWFLSA-N 429.952 5.374 30 10 IKEE C=C([C@H](NCCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(C)(C)C 2134732715 YCSONEWWQLJOSI-LJAQVGFWSA-N 443.631 7.488 30 10 IKEE C=CCCCCC[C@@H](NCC)[C@H](O)c1scc(Br)c1Br 2150566706 KSSXIFNDYXMEBG-OCCSQVGLSA-N 425.230 5.421 30 10 IKEE CC(C)(C)OC(=O)N1CCCc2cc(Nc3ncc(Br)cc3C#N)ccc21 2162419100 BFNZDTJKQSKELP-UHFFFAOYSA-N 429.318 5.147 30 10 IKEE COC[C@]1([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)CC=CCC1 2166535763 YWLVJRSPWPXGOM-NQIIRXRSSA-N 435.362 5.456 30 10 IKEE CC(C)CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(Br)cc1C#N 2174809355 YTLYCHDLLQTAFO-GOSISDBHSA-N 436.394 5.183 30 10 IKEE CN(c1ccc(C#N)c(Br)c1)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1 2197457524 CVTNVWXEPAXVMV-LJQANCHMSA-N 430.346 5.023 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 2220395467 YONDQENJDQNBNN-WOGXIUBCSA-N 447.551 5.495 30 10 IKEE C=CCC1([C@H](NC)c2sc(Br)c(C)c2C)CN(C(=O)OC(C)(C)C)C1 2254697710 QNQHUNYYHBBRAK-OAHLLOKOSA-N 429.424 5.201 30 10 IKEE CN[C@H](CC#CC1CCCCC1)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2256703778 PKDMVFQSHWVUSA-XMMPIXPASA-N 440.628 5.002 30 10 IKEE CC(C)(C)OC(=O)NC[C@@]1(C)CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2258801462 BMDQWUYYBACJPQ-RPWUZVMVSA-N 447.551 5.544 30 10 IKEE C=CCCC1([C@H](N)c2cc(C)cc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2266306806 ATAVLTNBRIYWRY-QGZVFWFLSA-N 427.358 5.100 30 10 IKEE CC(C)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N(Cc2ccccc2)C2CCCC2)c1 2281936681 PXETYAYYITZPCH-UHFFFAOYSA-N 447.428 5.694 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Cl)c1csc(Br)c1Br 2295211014 FQDGYPAPFLZUGP-ZDUSSCGKSA-N 433.596 5.629 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@H](C)CN(CC)C(=O)OC(C)(C)C 2296219252 MHOWMQJYVVZOQD-XLIONFOSSA-N 437.422 5.062 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=CC1=Cc3ccccc3OC1)C2=O)c1ccc(Cl)cc1 2296869184 FFTUHMVWENSXFN-UHFFFAOYSA-N 430.843 5.494 30 10 IKEE CCCCN(CCCC)C[C@H](O)Cn1cc(C=CC(=O)c2cccs2)c2ccccc21 2297359251 DPWWHDCODBZROS-QFIPXVFZSA-N 438.637 5.862 30 10 IKEE O=C1NC(=Nc2ccc(F)cc2)SC1=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 2313558319 XWEZWGZDTAQNOQ-UHFFFAOYSA-N 433.291 6.284 30 10 IKEE O=C1C(=Cc2ccc(Cl)c(Cl)c2)Oc2cc(OCc3ccc(Cl)cc3)ccc21 2314437263 HLOZEZMUWIBBDV-UHFFFAOYSA-N 431.702 6.842 30 10 IKEE Cc1occc1C(=O)Nc1ccc(C(=O)C=Cc2ccc(-c3ccccc3Cl)o2)cc1 2314523074 ICXTWJYADQKJPS-UHFFFAOYSA-N 431.875 6.650 30 10 IKEE O=C1C(=Cc2ccc(F)cc2)SC(=NN=Cc2ccc(Cl)cc2)N1Cc1ccco1 2314818183 BLULKBMRLJLRBD-UHFFFAOYSA-N 439.899 5.579 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Cl)cc(Br)c1F 2315454037 SNGJYIYVFRWXTF-ZBFHGGJFSA-N 435.765 5.362 30 10 IKEE COc1cc(C=C2Oc3c(ccc(OCc4ccc(C)cc4)c3C)C2=O)cc(OC)c1OC 2321743450 FMKYQEVDVUBEOD-UHFFFAOYSA-N 446.499 5.524 30 10 IKEE Cc1c(OCc2cccc(F)c2)ccc2c1OC(=Cc1ccc(Br)cc1)C2=O 2321888378 QMVFVTBRVBRPOU-UHFFFAOYSA-N 439.280 6.092 30 10 IKEE CCCCC[C@@H](CC)N1COc2ccc3c(c2C1)OC(=Cc1ccc(C(C)(C)C)cc1)C3=O 2322071965 KPPNQFZKIFQPKS-JOCHJYFZSA-N 447.619 7.111 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)c1OCc1cccc(F)c1 2322311960 AWKWZCJSFZPFER-UHFFFAOYSA-N 441.842 5.871 30 10 IKEE CCn1cc(C=C2Oc3c(cc4c(c3C)OCN(C3CCCC3)C4)C2=O)c2ccccc21 2322328369 OOLJITCHWFBRIF-UHFFFAOYSA-N 428.532 5.680 30 10 IKEE Cc1ccccc1C=C1Oc2c(cc3c(c2C)OCN(CCOc2ccccc2)C3)C1=O 2322339030 HUSYIJUCZALJPO-UHFFFAOYSA-N 427.500 5.151 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)N[C@@H](C)c2ccccc2)cc1 2322359577 HUNIDQRZXLWSIZ-IBGZPJMESA-N 447.962 6.055 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2c(OCc3cccc(F)c3)ccc3ccccc23)cc1 2322391608 DJHACNVERLCQLI-UHFFFAOYSA-N 438.542 7.797 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2c(OCc3ccccc3F)ccc3ccccc23)cc1 2322607322 VGJZCOXDNFYTFC-UHFFFAOYSA-N 440.514 7.243 30 10 IKEE CCCN(CCC)C(=O)COc1c(C=CC(=O)c2ccc(F)c(C)c2)cccc1OC 2322638088 IPXYPPXORXDDDS-UHFFFAOYSA-N 427.516 5.066 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OCC(=O)N[C@@H](C)c3ccccc3)c2)cc1 2323157432 HYBILAKKMBGPFY-NRFANRHFSA-N 443.543 5.628 30 10 IKEE O=C(C=Cc1cccc(OCc2c(Cl)cccc2Cl)c1)c1cccc2ccccc12 2323203336 WLPXZXPELZWZQA-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE Sc1nnc(COc2ccccc2)n1N=Cc1ccc(OCCCc2ccccc2)cc1 2323557609 HOBJHSWSHSLUHM-UHFFFAOYSA-N 444.560 5.040 30 10 IKEE Cc1c(OC(=O)c2cccc(Oc3ccccc3)c2)ccc2c1OC(=Cc1ccncc1)C2=O 2323561144 FMMPBDODGFSWBU-UHFFFAOYSA-N 449.462 6.018 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OCC(=O)Nc1ccccc1F 2323823858 TYTPDYTWBAWFSW-UHFFFAOYSA-N 445.490 5.476 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1 2323829577 HAZMUUFGKMKBTN-HXUWFJFHSA-N 429.516 5.238 30 10 IKEE CCOc1cc(C=NNc2nc(-c3ccccc3)c(C)s2)cc([N+](=O)[O-])c1OCC 2323870624 MYIKQIMECHECTC-UHFFFAOYSA-N 426.498 5.270 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(OC)c(OCCc2ccccc2)c(OC)c1 2323992288 XOBQDRVBTCEPNS-UHFFFAOYSA-N 432.516 5.538 30 10 IKEE CCCOc1c(Br)cc(C=CC(=O)c2cccc3ccccc23)cc1OCC 2324141040 CPBXCURWTKULLC-UHFFFAOYSA-N 439.349 6.686 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc(F)c2)c(Br)c1)c1ccc(F)c(F)c1 2324241728 YMJQDOCTDXDRLJ-UHFFFAOYSA-N 447.250 6.342 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccco2)C3=O)cc1Cl 2324353776 ODGZSPZVCKMHMF-OAHLLOKOSA-N 437.879 5.572 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2ccc(OCc3ccccc3F)cc2)cc1Cl 2324422562 WZQPSRUFZBNRGF-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 2324505539 FARSOWCXDSYZMG-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCOc1ccc(C=C(C(=O)[C@@H](C#N)c2nc(C(C)(C)C)cs2)c2ccccc2)cc1 2324515844 RPHNHPOPSFMRNS-JOCHJYFZSA-N 430.573 6.256 30 10 IKEE COc1ccc(C=C2Oc3cc(OCCOc4cccc(C)c4)cc(C)c3C2=O)c(OC)c1 2324527734 WURXVCZKRPWGLD-UHFFFAOYSA-N 446.499 5.395 30 10 IKEE CCCOC(=O)COc1c(Cl)cc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OC 2324545210 WBGYGWJDVURRBU-UHFFFAOYSA-N 430.928 5.502 30 10 IKEE Cc1c(OCCCCOc2ccccc2)ccc2c1OC(=Cc1ccc(C(C)C)cc1)C2=O 2324584903 PLROEQGXYHGAOM-UHFFFAOYSA-N 442.555 6.973 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O 2325141754 PDGIHCQVWXXIFP-QGZVFWFLSA-N 431.463 5.465 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1c[nH]c2ccccc12 2325565335 ZQEYMVALQVNTJS-UHFFFAOYSA-N 425.561 6.040 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2cccc(C=CC(=O)c3ccc(F)cc3F)c2)cc1 2325725974 AQPBEUGRVRYFAZ-UHFFFAOYSA-N 436.454 5.934 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(F)cc2)ccc2c1OC(=Cc1ccccc1Cl)C2=O 2325728335 GNNBWOZGOUXXOS-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2)cc1OC(=O)c1ccccc1-c1ccccc1 2325731545 BCRLYMHBLBBZFI-UHFFFAOYSA-N 434.491 6.478 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)CCCOc3ccc(Cl)cc3)c2)c(C)c1 2325736272 QOUZWVMGRSSEQL-UHFFFAOYSA-N 448.946 6.618 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1Cl)C2=O)Nc1ccccc1 2325739820 DEDYICRHVJQHFL-UHFFFAOYSA-N 440.282 5.627 30 10 IKEE CCCOc1cccc(C=Nn2c(CCc3ccccc3Cl)nnc2SCC)c1 2327944221 TZWLCBVBQZDAEX-UHFFFAOYSA-N 428.989 5.500 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2)n1N=Cc1c(F)cccc1Cl 2328745031 FUZBUNROCOVINH-UHFFFAOYSA-N 444.963 5.633 30 10 IKEE CCCOc1cccc(C=Nn2c(Cc3ccc(Cl)cc3)nnc2SCCC)c1 2329120762 DIYSPVLPVXVUKV-UHFFFAOYSA-N 428.989 5.695 30 10 IKEE CSc1nnc(CCOc2ccccc2)n1N=Cc1ccc(OCc2ccccc2)cc1 2329148223 IFLQOKNSRBSATQ-UHFFFAOYSA-N 444.560 5.083 30 10 IKEE Cc1cccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2F)c1 2329837432 ITAXCYXTQWGVQT-UHFFFAOYSA-N 434.515 5.630 30 10 IKEE CCCOc1ccc(C=Nn2c(SCC)nnc2[C@@H](C)c2ccccc2)cc1OCC 2330094090 VQEUOVLQNSZAFH-SFHVURJKSA-N 438.597 5.612 30 10 IKEE Cc1ccc(O)c(C=Nn2c(CCc3ccccc3)nnc2SCc2ccc(F)cc2)c1 2330173074 QAEZHUXJWCTJAZ-UHFFFAOYSA-N 446.551 5.391 30 10 IKEE COc1ccccc1C=Nn1c(CC2CCCCC2)nnc1SCc1ccc(C)cc1 2330221643 BAPDJCDUVSLQFP-UHFFFAOYSA-N 434.609 5.892 30 10 IKEE COc1ccc2c(c1)c(C=NNC(=S)NC1CCCCCCCCCCC1)cn2C 2330467005 ONYFFDFMGSNBKW-UHFFFAOYSA-N 428.646 5.658 30 10 IKEE Oc1ccccc1C=Nn1c(SCc2c(F)cccc2Cl)nnc1-c1cccs1 2330621452 NXWBNSLARRDPQI-UHFFFAOYSA-N 444.944 5.679 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC(=O)C1CCCC1 2330645727 RFMBADMHKRNAKP-UHFFFAOYSA-N 435.476 5.324 30 10 IKEE COc1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2-c2ccccc2)cc1OC 2330651420 WBCYWJWKMINHLM-UHFFFAOYSA-N 448.523 5.276 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(OC)c2)cc(OC)c1OC(=O)C(C)(C)C 2330733880 WTCDQKZFHROANN-UHFFFAOYSA-N 438.520 5.289 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2Cl)n1N=Cc1cccc2ccccc12 2330852097 MADLIERJJUXSGU-UHFFFAOYSA-N 449.023 6.848 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)c1ccccc1 2331096915 HORRIPXVFSCBKT-UHFFFAOYSA-N 442.845 6.132 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)c1cc(C)cc(C)c1 2331214877 WSOLATBCXPXFBG-UHFFFAOYSA-N 448.946 6.698 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 2331326801 QZPCJXLMOFQPRC-UHFFFAOYSA-N 445.471 5.726 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(Br)cc1 2331376368 WUCLSJMPYQWXJN-UHFFFAOYSA-N 447.377 5.652 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)c3ccccc3C)c(Cl)c2)c1 2331385720 FJMSGMIVFZKMAE-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3cccc4ccccc34)cc2)cc1C 2331470031 ZBOKHVAPBXQVGM-UHFFFAOYSA-N 436.507 6.337 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2OC)cc1 2331508648 LPSQBFOVVAQSHG-UHFFFAOYSA-N 444.527 5.871 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2cc(OCC)ccc2OCC)cc1Cl 2331675116 WJSFXUKZJPSWNF-UHFFFAOYSA-N 430.928 6.129 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2ccc(OC(=O)CCCSC)cc2)cc1Cl 2331695828 HQXRLSBQAXRIEH-UHFFFAOYSA-N 434.941 5.302 30 10 IKEE CCCCCCCCC[C@H](NC)c1ccc(OCc2ccccc2)cc1Br 2361195695 RBTKJBJKLJKXSX-DEOSSOPVSA-N 432.446 7.429 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Br)c(Oc2ccc([N+](=O)[O-])cc2C#N)c1 2370341066 AYTINBOEQFGAOU-UHFFFAOYSA-N 434.246 5.368 30 10 IKEE CN1/C(=C2\S/C(=N\Cc3ccccc3)N(c3ccc(O)cc3)C2=O)Sc2ccccc21 15946292 YCTLPJOYWKAKGX-UNGFZDNBSA-N 445.569 5.439 30 10 IKEE Cc1cccc(C)c1NC(=S)N/N=C1\C[C@@H]([C@H](C)c2cccnc2)Oc2ccc(O)cc21 20683596 KHZHNLYHGABBRR-XBJXUOPSSA-N 446.576 5.050 30 10 IKEE CCN(CC)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 20884005 ZJDYSMAQHKTQRT-UZTOHYMASA-N 443.616 6.574 30 10 IKEE CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccccc2C)C2=C(CCCC2=O)N1 27547286 JVRWCERNINRVAY-JOCHJYFZSA-N 440.465 5.620 30 10 IKEE O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(-c2ccc(F)cc2)o1 33568136 NIMQQGDJSCJHHU-CSKARUKUSA-N 427.258 7.549 30 10 IKEE C=CCn1c(SCc2cc(=O)oc3cc(C)c(C(C)C)cc23)nc2sccc2c1=O 36800663 JPLRYGMOIUWCRF-UHFFFAOYSA-N 438.574 5.475 30 10 IKEE C/C(=C1/S/C(=N/c2cccc(C(=O)O)c2)N(c2ccccc2)C1=O)c1ccc(F)cc1 39866792 VOQPFHCAOYMABQ-SYUAUQEVSA-N 432.476 5.723 30 10 IKEE C=C(C)C(=O)N[C@H](C)c1nc2ccccc2n1CCCOc1cc(C)c(Cl)c(C)c1 40191153 QRNCQOMOZSZJMF-GOSISDBHSA-N 425.960 5.529 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OC(=O)c4ccc(C)cc4)cc(C)c3C2=O)c2ccccc21 41284448 CEKGHAUKIWZJNT-QFEZKATASA-N 437.495 6.113 30 10 IKEE COC(=O)c1ccc(/C=C2\Oc3cc(OCc4cc(C)ccc4C)cc(C)c3C2=O)cc1 41433599 UMYMTIGDSCDWQH-CFRMEGHHSA-N 428.484 5.594 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(-c4ccccc4)cc1)O3)CN(CC(C)C)CO2 41649781 QIXNWGZTECQETC-QFEZKATASA-N 425.528 6.086 30 10 IKEE COc1ccccc1CC(=O)Nc1cc(Cl)c([C@@H](C#N)c2ccc(Cl)cc2)cc1C 59240080 QBZXFAPURZPPPP-FQEVSTJZSA-N 439.342 6.147 30 10 IKEE C=CCOc1ccccc1NC(=S)NC(=O)C(C)(C)CCCOc1cc(C)ccc1C 66201679 CPTIEAAZGHPLNN-UHFFFAOYSA-N 440.609 5.567 30 10 IKEE CCCCCCCOc1cccc(NCC(=O)Nc2ccc(C(=O)NC(C)C)cc2)c1 100090377 GKOKBDACZKNNRW-UHFFFAOYSA-N 425.573 5.225 30 10 IKEE CCCCCCCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2CCOC)cc1OC 100138308 DVTWOUNYSLGQJP-XMMPIXPASA-N 426.557 5.257 30 10 IKEE CCCCCCCOc1ccc(NC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 100279401 MJVODIGCXUXPTG-XNTDXEJSSA-N 441.553 5.470 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)NCc2ccc(SC)cc2)cc1 100451533 BXDXDUGFCBJDCO-UHFFFAOYSA-N 430.639 5.562 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1c(Cl)cccc1Cl 138198312 KFIWJDPUNXWUDH-UYOCIXKTSA-N 446.190 6.375 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/NC(=S)NCC)cc1Br 169884862 YQAZSYNKPADRLF-PXLXIMEGSA-N 428.440 5.396 30 10 IKEE CCCN1C(=S)N[C@H](c2cccc(OCc3ccccc3Cl)c2)C2=C1CCCC2=O 169930147 RJIAUFHTUHKPPJ-HSZRJFAPSA-N 440.996 5.567 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(C)c(C)c2)c1 169932682 CVMVDCWGKQAXIF-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(OCc3ccc(Cl)cc3)cc2)NC(=S)N1 169938438 WDICOMKMBSTYCE-QHCPKHFHSA-N 448.975 5.595 30 10 IKEE CCCCOc1c(OC)cc(/C=N\Nc2nc(-c3cccs3)c(C)s2)cc1[N+](=O)[O-] 169940358 QDVMMBQHBBFQTG-MTJSOVHGSA-N 446.554 5.722 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 170048916 IKJNNEWZWUUELM-QHCPKHFHSA-N 431.919 6.246 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccc(Cl)cc1)c1cc2ccccc2o1 170058773 CGTMONFSRBTWRL-JOCHJYFZSA-N 444.874 5.260 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 170059796 BMGRYWRDSVRYJQ-HXUWFJFHSA-N 430.331 5.904 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)cc1C 170070056 JVDBOOUVQUFNHX-QFIPXVFZSA-N 435.882 5.879 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@H]1c1ccco1 170092686 KQIYVWXZJOZIKV-NRFANRHFSA-N 425.843 5.174 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)o1 170101635 GQDORELUTPTTCR-JOCHJYFZSA-N 446.890 5.814 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2sccc2C)cc1 170105537 RQEFGHDIFGUETE-LJQANCHMSA-N 441.455 5.126 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2c2ccccc2)cc1 170113425 LJVVXJQRKAMHDC-XMMPIXPASA-N 443.499 5.265 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@H]1c1cccc(C)c1 170147384 MARZYUIBLYVFHX-JOCHJYFZSA-N 441.955 5.816 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2ccc(OC(C)C)cc2)cc1 170152419 ZBPBDEQNNAUIDX-QHCPKHFHSA-N 437.536 5.251 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1cccs1)c1ccc(Cl)c(Cl)c1 170163521 SBQQCEIESNAXMM-SFHVURJKSA-N 445.327 5.228 30 10 IKEE Cc1ccc(-c2csc(C3=C(N)N(Cc4ccccc4OC(C)(C)C)CC3=O)n2)cc1 170179912 KRDDZXJRWMTZMK-UHFFFAOYSA-N 433.577 5.008 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccncc1)c1cc2cc(Cl)ccc2o1 170200181 ADSZSLOPOWIZCX-OAQYLSRUSA-N 448.837 5.403 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccccc2)ccc1Cl 170225702 WSWGFQBUXKYPSD-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccccc2)cc1OC 170225785 DAKMYRJGTDAFGC-XMMPIXPASA-N 443.499 5.104 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3c(c2)C[C@H](C)O3)=C(O)C(=O)N1c1ccc(F)cc1 170314064 QBWGTSIKUBEDGH-LHSJRXKWSA-N 449.503 5.302 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2sccc2C)cc1C 170319733 WPAVBVMOCQLTMP-NRFANRHFSA-N 439.577 5.675 30 10 IKEE CCOc1cc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)ccc1O 170464041 GRBXNFAHUNOEPR-IBGZPJMESA-N 447.890 5.099 30 10 IKEE CCCCCCCCC[C@@H](N)c1cc(I)ccc1Br 232922113 QTJXPHNAPMZTHU-MRXNPFEDSA-N 438.191 6.194 30 10 IKEE CON=C(C)[C@@H]1C(=NOC)C[C@@H]2[C@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 254627418 KLCZPBNZZJGNRW-CMMZOOGYSA-N 432.605 5.212 30 10 IKEE C=CCn1c(C)c(/C=C2/SC(=Nc3ccccc3)N(CCOC)C2=O)c2ccccc21 254764342 DDVJBTBRYMYXOR-SUOSWRNOSA-N 431.561 5.386 30 10 IKEE C[C@@H](C[C@H]1CCCCCN1C(=O)OC(C)(C)C)Nc1ccc(C#N)cc1Br 312143026 RGMOHNWLUSBDER-DOTOQJQBSA-N 436.394 5.691 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccc(F)c2)cc1Cl 526520099 GBQPSXHTIYARGL-QHCPKHFHSA-N 448.881 5.807 30 10 IKEE N#Cc1ccc(N2C(=O)C(Cl)=C(Nc3ccccc3Sc3ccccc3)C2=O)cc1 526677338 PXQFFOJKQACXNO-UHFFFAOYSA-N 431.904 5.145 30 10 IKEE Cc1cccc(CSc2nnc(C)n2/N=C\c2ccccc2OCc2ccccc2)c1 526807704 DINQNMCYJBNXDF-QQXSKIMKSA-N 428.561 5.648 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccc(OC)c(O)c1 526821771 JWMXENYNZKQQBX-QQXSKIMKSA-N 446.576 5.663 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@H](C#N)c1ccc(Cl)c(Br)c1 698962865 CDIOAJCIZNHDJP-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE CCCCC(C)=NNc1nc(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n[nH]1 1083963598 ALAZEZSBTQVPKU-UHFFFAOYSA-N 448.902 5.186 30 10 IKEE C[C@@H]1CC(=NOC(=O)Nc2ccccc2)c2ccc(OC(=O)Nc3ccccc3)cc2C1 1083994691 GNFJTCKIVPNQOR-KRWDZBQOSA-N 429.476 5.833 30 10 IKEE COc1ccccc1CNN=Cc1c(C)n(Cc2cccc3ccccc23)c2ccccc12 1084625333 LZVQLEJQWJUKKU-UHFFFAOYSA-N 433.555 6.284 30 10 IKEE C/C=C1/C(=O)[C@@H]2[C@H]3CC[C@@H]([C@@H](C)CCC(=O)OC)[C@]3(C)CC[C@H]2[C@@]2(C)CC[C@H](O)C[C@H]12 1307249650 SXDZXAFUWCERDJ-WNWQFMPFSA-N 430.629 5.331 30 10 IKEE C[C@H](C[C@H](O)[C@@H]1OC1(C)C)C1=C2C[C@H](O)[C@@H]3[C@]4(C)CCC(=O)C[C@@H]4CC[C@@]3(C)[C@@]2(C)CC1 1772502550 XOWUWSRAQZUPJP-QYWSOWPKSA-N 444.656 5.204 30 10 IKEE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cccc(Cl)c1Cl)C(=O)C2=NNc1ccccc1 1772722151 COSBVROYLVRBKH-PKTZIBPZSA-N 444.362 5.795 30 10 IKEE Cc1nnc(N=C2S/C(=C/C=C\c3ccccc3[N+](=O)[O-])C(=O)N2c2ccccc2)s1 1772735941 GQIGNMRUBKPGJC-XLIHVMFOSA-N 449.517 5.120 30 10 IKEE C=CCN1C(=O)/C(=C(/C)c2ccc(Br)cc2)SC1=Nc1nc(C)cs1 1772739107 PRPPYPQVETYNID-ASMXPFNQSA-N 434.384 5.394 30 10 IKEE Cc1ccc([C@@H](/N=C/c2ccccc2O)[C@H](/N=C/c2ccccc2O)c2ccc(C)cc2)cc1 1848438649 DBSRVUZYCUWTCC-BDWDYLTCSA-N 448.566 6.735 30 10 IKEE Cc1cccc(NC(=S)N/N=C\c2cn(-c3ccccc3Cl)nc2-c2ccccc2)c1 1857811381 RWODYXJJTKNXAR-YSMPRRRNSA-N 445.979 5.822 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)c1c(OC)cccc1OC 1861485130 WOJPVBIPHCIGSX-FQEVSTJZSA-N 434.621 5.249 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)[C@@H](C)Oc1ccccc1C(C)C 1861659752 UPRZAFPKDYGVKZ-AMGIVPHBSA-N 446.676 6.119 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2cccc(OCC)c2)cc1 1862392832 HHHUTJCEOVAKCH-MHECFPHRSA-N 435.564 5.805 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1cc(Cl)cc(Cl)c1 1862415670 CQNMGLVWCMBQNG-KRWDZBQOSA-N 426.246 5.258 30 10 IKEE CN(C)c1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccccc2)cc1 1862433370 AKCFEFLDHHBDSW-HSZRJFAPSA-N 446.934 5.185 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccc(F)cc2)c1 1862442009 FQBPKSRYUXCZBN-HSZRJFAPSA-N 449.909 5.874 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1c(Cl)cccc1Cl 1862467851 VSYCDYBROFTGLT-INIZCTEOSA-N 430.209 5.009 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 1862478849 SAHYAMDMLLUZFF-UZUQRXQVSA-N 442.471 5.243 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862481436 FUOFYAFZGCMYHG-FQEVSTJZSA-N 448.346 5.307 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2cccc(F)c2)cc1 1862489350 VCAVIJXTXKKNJB-XMMPIXPASA-N 429.491 5.529 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccccc2Cl)ccc1F 1862503369 WGZYTNHVXRTRNQ-ZFGLAFRWSA-N 441.930 5.945 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2C2CCCC2)c1 1862511017 LJFWNGJOVHZUDS-QHCPKHFHSA-N 437.511 5.444 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(Cl)c(Cl)c1 1862550767 LIBIKEOOFUAMTP-HXUWFJFHSA-N 430.331 5.470 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccc2cc[nH]c2c1)c1cccc(O)c1 1862595776 PSPUOIPZTYTBLC-QHCPKHFHSA-N 430.504 5.175 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2[C@@H](C)c2ccccc2)c1 1862625983 RHAWVZLAWBFSNK-XDHUDOTRSA-N 441.483 5.063 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(C(C)(C)C)cc1 1862631344 OQJVFCPAMGDMAX-IVZQSRNASA-N 435.520 5.090 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccc(OCC)c1 1862663731 BONVTVGACSWXPE-VWLOTQADSA-N 449.591 6.367 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cccc(Cl)c2)cc1 1862674852 VOQUHDGFKQFTMT-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@@H]1c1cccc(Cl)c1)c1ccc(F)cc1 1862675954 XLXJEILRWRFNBA-HSZRJFAPSA-N 449.909 5.690 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 1862692088 CPEDKKXGCXRSIR-HSZRJFAPSA-N 435.564 5.617 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc(C)c1 1862712992 FJOPKDRLAJRPBI-DEOSSOPVSA-N 429.516 5.153 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)cc1 1862713114 HMLVCRHOFGPQBK-GJQIQAERSA-N 439.555 6.305 30 10 IKEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@H]2c2ccc(CC)cc2)cc1 1862733513 SVONGIKYODFZJE-VWLOTQADSA-N 449.591 6.196 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)=C(O)C(=O)N1[C@H]1CCCC[C@@H]1C 1862736613 KRHPYSFZMPHEPZ-XUEUYAKLSA-N 434.492 5.060 30 10 IKEE Cc1cccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(Cl)cc3)C2=O)c1C 1862791338 IUIQLCZQBCTNNG-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE N#Cc1ccc(NC2=C(c3cccc4ccccc34)C(=O)N(c3cccc(F)c3)C2=O)cc1 1862840465 PBMHZIFACPZPHF-UHFFFAOYSA-N 433.442 5.247 30 10 IKEE N#Cc1cccc(N2C(=O)C(Nc3ccc(Cl)cc3)=C(c3c[nH]c4ccccc34)C2=O)c1 1863131546 MSQOZRIMRYRKRX-UHFFFAOYSA-N 438.874 5.090 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(N(CC)CC)cc2)=C(c2cccc3ccccc23)C1=O 1863219065 CBHQMTCAOBUHCR-UHFFFAOYSA-N 425.532 5.064 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2cccs2)=C(c2ccc(F)cc2)C1=O 1863507567 VMBOEHZILZMWSB-UHFFFAOYSA-N 442.600 5.898 30 10 IKEE CCCCCCCCCCCC(=O)N[C@H](CC(C)C)C(=O)Nc1ccc2ccccc2c1 1865985037 XBSZSDKTESGHLO-AREMUKBSSA-N 438.656 7.230 30 10 IKEE CCOc1ccc(-c2nc(Nc3ccccc3C#N)cc(N3C[C@@H](C)OCC3(C)C)n2)cc1 1868533890 JAIIHELZQSPVGR-GOSISDBHSA-N 443.551 5.161 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)/C=C\c2ccc(Cl)cc2)n(-c2ccc(C)cc2)n1 1870001231 UZDGBKYWBCTIQP-GDNBJRDFSA-N 433.943 5.059 30 10 IKEE Cc1ccc(Cn2cc(OCc3ccc(C#N)cc3)c(=O)cc2CSC(C)(C)C)cc1 1870234007 RMCACYZZSMLHMG-UHFFFAOYSA-N 432.589 5.687 30 10 IKEE CCCCCCCOc1cn(CCCOCC)c(CNc2ccccc2CC)cc1=O 1870830441 OVPVOIANUDYSKL-UHFFFAOYSA-N 428.617 5.799 30 10 IKEE CCCCCCCCn1cc(OCC(C)C)c(=O)cc1CNc1ccc(OC)c(Cl)c1 1870857684 ARHFHOFHRULGJQ-UHFFFAOYSA-N 449.035 6.518 30 10 IKEE C#CCOc1cn(Cc2ccccc2Cl)c(CNc2ccc(C)c(Cl)c2)cc1=O 1871005351 BIWLTOCWSZMSPY-UHFFFAOYSA-N 427.331 5.136 30 10 IKEE C=CCn1cc(OCCCCOc2cccc(C)c2)c(=O)cc1CNc1ccccc1CC 1871221093 NAJXSBRGBNGVNQ-UHFFFAOYSA-N 446.591 5.755 30 10 IKEE CC(C)CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(F)c(F)c1 1871252201 OSOVIMYRPMVDGH-UHFFFAOYSA-N 437.490 5.235 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccco1)C3=O)CN([C@@H](C)C13CC4CC(CC(C4)C1)C3)CO2 1871360269 ZQJHVGGJNRJNKN-QCSTYKCASA-N 445.559 5.961 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(F)c(F)c4F)c3C)C2=O)c1 1871370313 KFQVYBNBALSBHX-ODLFYWEKSA-N 440.373 5.256 30 10 IKEE CCCN(CCC)Cc1c(O)cc(C)c2c1O/C(=C\c1c(Cl)cccc1Cl)C2=O 1871394320 QCMVOTLMHBHESG-NDENLUEZSA-N 434.363 6.246 30 10 IKEE Cc1cc(O)c(CN2CCC(N(C)C)CC2)c2c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O2 1871396960 HBPQJPDBIAPEQE-JLPGSUDCSA-N 448.607 5.140 30 10 IKEE CCOc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871452426 PTGYCXQQRSFYPN-QRVIBDJDSA-N 447.462 5.167 30 10 IKEE CCc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871454827 ZSRYNLCCACSRGF-OYKKKHCWSA-N 427.500 5.500 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2C)C3=O)cc1C 1871459968 NYZJVHBWCNCTKB-OYKKKHCWSA-N 427.500 5.554 30 10 IKEE CCCCCCCCCCN=c1nc(N(CC)CCCC)[nH]c(=Nc2cccc(C)c2)[nH]1 1871651145 RMADNVGDKITTMJ-UHFFFAOYSA-N 440.680 5.946 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(Cl)c(C)c1)c1ccccc1)S(=O)(=O)CCCC 1872304315 ABKRYIINBCHYGT-QFIPXVFZSA-N 449.016 5.336 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Cl)c(C)c1)[C@H](C)CC)S(=O)(=O)c1ccccc1 1872316218 WXOVRUSTKHQIAK-VGOFRKELSA-N 449.016 5.269 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 1872612443 DOJCAMGHJOUTOI-DEOSSOPVSA-N 444.641 5.272 30 10 IKEE N#C[C@@H](C(=O)c1ccc(-c2ccccc2)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872769560 VKULAIULAIXLCT-IBGZPJMESA-N 449.362 7.274 30 10 IKEE C=CCn1c(C(=O)Nc2cc(C)ccc2C)cc2c(NCCc3ccc(F)cc3)ncnc21 1873615682 CLTQIFDESFBTIV-UHFFFAOYSA-N 443.526 5.280 30 10 IKEE C=CCn1c(C(=O)Nc2ccc3cc[nH]c3c2)cc2c(NCCCCCCCC)ncnc21 1873621482 SPXICFKSAMQYOJ-UHFFFAOYSA-N 444.583 6.123 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(Cl)c2)cc2c(N(C)Cc3ccccc3)ncnc21 1873660567 OKBPXNIHCCTZMB-UHFFFAOYSA-N 431.927 5.159 30 10 IKEE C=CCSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1ccccc1F 1874206660 NJCKUTFBKKZKQK-FOKLQQMPSA-N 437.327 5.463 30 10 IKEE CCSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1ccc(Cl)cc1Cl 1874252282 JMFREVRXWILYTN-ZVHZXABRSA-N 449.407 5.899 30 10 IKEE CCCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc(C(C)C)cc1 1874279522 KUAAXHRHYJXATG-PCLIKHOPSA-N 427.017 6.224 30 10 IKEE COc1cccc(CCc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2)c1 1874310493 YMVYTAHHNMDFJC-NLRVBDNBSA-N 428.561 5.246 30 10 IKEE CCc1ccc(/C=N/n2c(Cc3ccc(C)cc3)nnc2SCc2cccc(F)c2)cc1 1874387715 BFFPXYGPRKHHCO-OGLMXYFKSA-N 444.579 6.053 30 10 IKEE CCCSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1ccc(Br)cc1 1874390468 OIUMHBFYQOLCQE-HYARGMPZSA-N 429.387 5.324 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2ccccc2)nnc1[C@H](C)c1ccccc1 1874395751 UVGVOHYCYKYODV-VKELSTCCSA-N 428.561 5.613 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2cccs2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874410770 KFKYPOXRZNOTSD-OEAKJJBVSA-N 449.561 5.322 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(-c2ccccc2)n1/N=C/c1ccncc1 1874429225 XWOJDQAHLLAUTE-DHRITJCHSA-N 440.359 5.821 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2[C@H]2CCCO2)cc1 1874448884 NYVUARJIBBTOQM-TYLRVVQJSA-N 449.363 5.317 30 10 IKEE Clc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2-c2ccco2)c(Cl)c1 1874466863 GBCGXWYBFHRXLO-ZVHZXABRSA-N 443.359 6.062 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccccc1OCCC 1874476002 DCZBQLRVTUXNCT-PCLIKHOPSA-N 443.016 6.237 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(Br)cc1 1874478391 YDRXBGVQUULTJU-YDZHTSKRSA-N 447.377 5.697 30 10 IKEE CCCSc1nnc(C)n1/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1874533419 IAELJUOOLYQCOX-FSJBWODESA-N 435.380 5.857 30 10 IKEE CSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccccc1C 1874542300 TUTWXANHXJURCG-ZVHZXABRSA-N 428.989 5.472 30 10 IKEE Sc1nnc([C@H]2CCCO2)n1/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1 1874560269 PBARLVSYZSSGSY-TYLRVVQJSA-N 449.363 5.186 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccccc2F)cc1OC 1874572999 PNWKQMABKHCOSK-JXMROGBWSA-N 426.871 5.971 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)NC2CCCCC2)c(C)c1 1874579080 VOFSDZLTVYVTJP-FMIVXFBMSA-N 425.956 5.681 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1OCC(=O)Nc1ccccc1 1874592856 FYPOUNAKGPVVOX-RVDMUPIBSA-N 437.495 5.762 30 10 IKEE C=CCOc1c(OCC)cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-] 1874601540 PYLHEJRZWGWEGV-XNTDXEJSSA-N 429.472 6.121 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3nccs3)c(Cl)c2)cc1 1874604522 RIXHSYHXTUIPSJ-WEVVVXLNSA-N 426.925 5.273 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1C 1874610695 GQRYHPCUFCRXKK-MKMNVTDBSA-N 430.460 5.125 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OCCc3ccccc3)c(OC)c2)cc1F 1874621688 OLGHODIXWFKIJQ-CSKARUKUSA-N 440.898 6.014 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)c(C)c1 1874701953 FATOGJQXBINJAI-VQHVLOKHSA-N 446.415 5.235 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OC(=O)Cc1ccc(C)c(C)c1 1874704048 USITYLSCOBEMGY-YRNVUSSQSA-N 432.491 5.804 30 10 IKEE CCc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc(OC)cc3OC)ccc2OC)cc1 1874714360 RDDAKEKIVSNRTQ-RIYZIHGNSA-N 446.499 5.390 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccco2)c([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 1875078650 WCPBPCRQPXISPX-RIYZIHGNSA-N 439.423 5.970 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)Cc1cc(C)ccc1C 1875094695 DYYXUDRNMYJMTL-PKNBQFBNSA-N 445.471 5.264 30 10 IKEE Cc1ccccc1CCC(=O)Oc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl 1875116594 IZZKCLOPQSWXLY-AWNIVKPZSA-N 449.890 5.991 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC(=O)CCOc1ccccc1 1875122197 HSADBEBQDSURPM-YRNVUSSQSA-N 438.426 5.244 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2)cc1 1875122912 OQMJYEXMJLZMOA-FRKPEAEDSA-N 434.919 6.173 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2Cl)cc1 1875125893 FUACUBGDYSLXJC-QLKAYGNNSA-N 441.310 6.507 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Br)c1OC(=O)CC(C)C 1875128796 VAPZJEWWDAQKQW-ZHACJKMWSA-N 431.326 5.695 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 1875140005 LIXQLAMAFNVFIQ-YRNVUSSQSA-N 445.471 5.644 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2[N+](=O)[O-])cc1 1875156032 ZAOVEKZAHIBKOR-MKMNVTDBSA-N 429.472 6.142 30 10 IKEE CCCCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccc(F)cc2)cc1OC 1875158941 UKUJMFSWWATPIZ-IZZDOVSWSA-N 435.289 5.589 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] 1875162895 VTSKVRFSKYVYFT-UKTHLTGXSA-N 445.462 6.425 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)CC(C)C)c(Cl)c2)c1 1875172375 RFQSXZLMWIAZOX-JXMROGBWSA-N 430.928 5.985 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)COc3cccc(C)c3C)cc2)c(C)c1 1875182478 FRSBKTYWRIOWFV-SDNWHVSQSA-N 428.528 6.109 30 10 IKEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)Nc1ccc(F)c(C(F)(F)F)c1 1891288453 LZDQOGAEPKCINT-UHFFFAOYSA-N 434.311 5.067 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@]1(CCC)CCCN(C(=O)OC(C)(C)C)C1 1922090830 CUYSPDMNRRTQCX-JYFHCDHNSA-N 430.633 5.555 30 10 IKEE Cc1sc(C)c([C@@H](C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)c1Br 1944417635 GHWXLXWDZMHUKR-SNVBAGLBSA-N 427.286 5.492 30 10 IKEE CC(C)(C)OC(=O)Nc1c(Br)cc(Br)cc1[C@@H](C=O)C1CCC1 1951685186 RYADDQUMZZGHRI-ZDUSSCGKSA-N 447.167 5.641 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@H](C#N)[C@@]1(C)CCCN1C(=O)OC(C)(C)C 2020799433 VYRZHPYDGYDGPY-WZONZLPQSA-N 433.524 5.249 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(Cc3ccccc3)C[C@@H]2C)cc1 2037426394 LBECQXSDMHBXDH-RXFWQSSRSA-N 435.568 5.241 30 10 IKEE Oc1c(Br)cc(Br)cc1C=NCc1ccccc1C(F)(F)F 2040736735 DOQQUUUNUVMQCC-UHFFFAOYSA-N 437.053 5.555 30 10 IKEE COc1cccc(C=C(C(=O)c2cc(OC)c(OC)c(OC)c2)c2nc3ccccc3[nH]2)c1 2042913960 PWWXUHILWSNGJC-UHFFFAOYSA-N 444.487 5.021 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@@]2(C)CCN2C(=O)OC(C)(C)C)c1 2045190602 KXJUSCMUDZXDTJ-RPWUZVMVSA-N 445.560 5.118 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@](C#N)(N(C(=O)OC(C)(C)C)c3ccccc3)C[C@]2(C)C1 2052770315 KQSMBMFHZVBJNO-PISWEHOVSA-N 441.572 5.357 30 10 IKEE O=C1C(=Cc2ccccc2OC(=O)c2cc(F)c(F)c(F)c2F)Sc2ccccc21 2053511116 FFBABYXJLGUEKZ-UHFFFAOYSA-N 430.378 5.792 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(Br)ccc(Cl)c1F 2063089603 BRZMYBBOHPOWNC-BBRMVZONSA-N 435.765 5.362 30 10 IKEE N[C@H](CC#CC1CC1)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071343676 FYILVRCTCATNFU-NAKRPHOHSA-N 427.544 5.009 30 10 IKEE CC(C)c1nn([C@H](c2ccc(C(F)(F)F)cc2F)C2CCC2)c(Br)c1C#N 2079878012 HZAJEDRSOKYZLF-KRWDZBQOSA-N 444.270 6.188 30 10 IKEE CC(C)c1nn([C@H](c2ccc(C3CCC3)cc2)C2CC2)c(I)c1C#N 2079928093 AWOQCYYDKDWGEO-HXUWFJFHSA-N 445.348 5.750 30 10 IKEE C=CCCCCCCCCC[C@@H](N)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2086280371 FVNLTXYAPKNDRT-JWQCQUIFSA-N 445.692 6.036 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CC[C@@H]2[C@@H](C1)C2(F)F 2090784342 HAUXFPDMLDPSAM-IIDMSEBBSA-N 427.289 5.518 30 10 IKEE CCN(Cc1ccccc1Nc1ccc(C#N)c(Br)c1)C(=O)OC(C)(C)C 2162414723 ODQNTGGZPVQHCV-UHFFFAOYSA-N 430.346 5.821 30 10 IKEE CC(C)(C)OC(=O)N1CCN(Cc2ccc(Br)cc2C#N)c2ccccc21 2174627790 CIOPXOLZBBKRRN-UHFFFAOYSA-N 428.330 5.082 30 10 IKEE N#Cc1c(F)cc(Br)cc1Oc1c(Cl)cc(Br)cc1Cl 2202927525 MCDXTXZFVNIOFZ-UHFFFAOYSA-N 439.893 6.321 30 10 IKEE C=C(Cl)C[C@H](NCCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229125228 CHJXAFRNYKTANO-ZWKOTPCHSA-N 445.829 5.396 30 10 IKEE CN[C@H](C#Cc1ccc(C)cc1)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2239731521 IILSXBBJNQBJDQ-HXUWFJFHSA-N 429.358 5.417 30 10 IKEE CCCCCCCC[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2240622665 WGIODYMWZHCOTH-JOCHJYFZSA-N 437.422 7.223 30 10 IKEE CC(C)(C)OC(=O)NC1C[C@@H]2CCC[C@H](C1)C2(C#N)N(C(=O)OC(C)(C)C)C1CCC1 2249321067 IRERVMGAPVBOIM-YUHQDXEYSA-N 433.593 5.142 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)C1(NC(=O)OC(C)(C)C)CC2(CC(C)C2)C1 2251274438 AYGKJTQQQJWXJN-FNGNYECVSA-N 428.617 5.211 30 10 IKEE CCCN[C@@H](C#CC1CCCC1)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2251418804 ZKDMIRZQBQTNFD-NKKJXINNSA-N 428.617 5.047 30 10 IKEE C=CC[C@H](CNC(=O)OC(C)(C)C)COc1nc2ccc(Br)cc2s1 2264302333 VJMCPIUHKCDJIV-GFCCVEGCSA-N 427.364 5.155 30 10 IKEE Cc1cccc(Oc2cc(Br)cc(F)c2C#N)c1I 2277970124 HJVKUWHCEXXOQH-UHFFFAOYSA-N 432.030 5.165 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Br)cc(C(C)C)c1 2280709788 XUVCFEFPEXKREN-UXHICEINSA-N 437.422 5.530 30 10 IKEE C[C@H](c1ccc(NC(=O)OC(C)(C)C)cc1)[C@@H](N)C#Cc1ccc(Br)cc1 2296311311 VSIWFAFCCKDIAH-QRWLVFNGSA-N 429.358 5.279 30 10 IKEE CCOc1ccccc1C=CC(=O)c1c(O)nc2ccc(Cl)cc2c1-c1ccccc1 2296441790 PUPQVMXQMVSIDH-UHFFFAOYSA-N 429.903 6.556 30 10 IKEE CCOc1ccc(C(=O)C(=Cc2ccc(O)c(OC)c2)c2nc3ccccc3s2)cc1 2296699126 USEKHNLHXVKRKA-UHFFFAOYSA-N 431.513 5.833 30 10 IKEE O=C1C(=Cc2c(Cl)cccc2Cl)Oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc21 2296865999 RNBZAPQPSJVPLL-UHFFFAOYSA-N 442.254 6.097 30 10 IKEE Cc1cccc(CN2c3ccccc3C(=O)C(=CNc3ccc(C)cc3C)S2(=O)=O)c1 2297334974 UJJRRYWJSUUCRM-UHFFFAOYSA-N 432.545 5.098 30 10 IKEE C=CCN1C(=O)C(=CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)Sc2ccccc21 2297484341 ICRVXRARNJZVFP-JOCHJYFZSA-N 440.568 5.295 30 10 IKEE CCCCCCCOc1ccc(NC(=S)NC(=O)C=Cc2ccccc2OC)cc1 2313763954 QHCRFJQZSWFKRV-UHFFFAOYSA-N 426.582 5.571 30 10 IKEE Cc1csc(N=C2SC(=Cc3ccc(Cl)cc3Cl)C(=O)N2c2ccccc2)n1 2314543775 MAAJMTSMOHWQGI-UHFFFAOYSA-N 446.384 6.567 30 10 IKEE CCCN[C@@H](C#CC1(OC)CCCC1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2316439473 CFIZETUXWDKCGT-XMMPIXPASA-N 442.644 5.535 30 10 IKEE CCOc1c(C=Nn2c(SCc3ccccc3Cl)nnc2C2CC2)cccc1OC 2320858340 NPSDPKMYNJRKSM-UHFFFAOYSA-N 442.972 5.391 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc2cc[nH]c2c1 2321802265 JAQRMYPLXRPYPY-UHFFFAOYSA-N 444.391 6.193 30 10 IKEE Cc1c(OCc2cc(Cl)cc3c2OCOC3)ccc2c1OC(=Cc1ccccc1)C2=O 2321876750 DKUZWGDBDHTTTA-UHFFFAOYSA-N 434.875 5.710 30 10 IKEE FC(F)(F)c1nnc(S)n1N=Cc1cccc(OCc2c(Cl)cccc2Cl)c1 2321915051 OMLIPYBRASMGIY-UHFFFAOYSA-N 447.269 5.354 30 10 IKEE C[C@H]1CCCC[C@@H]1N1COc2ccc3c(c2C1)OC(=Cc1cn(C)c2ccccc12)C3=O 2322146172 OLOSKOBDZHUJAJ-JTSKRJEESA-N 428.532 5.525 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(Cl)cc2)c1OCc1cccc2ccccc12 2322542255 KWPQQWQGDPVUGV-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Br)ccc2OCc2cccc(F)c2)c(C)c1 2322569017 XBTFHECTILGRAK-UHFFFAOYSA-N 439.324 6.680 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OC(=O)c4ccccc4OC)ccc3C2=O)cc1 2322698737 DAUGSYLAALDPSV-UHFFFAOYSA-N 443.499 5.377 30 10 IKEE COc1cc(C=NNc2ccc(C)c(Cl)c2)ccc1OCc1ccc(Cl)cc1Cl 2322969406 BMOLBLFKONGWBR-UHFFFAOYSA-N 449.765 6.989 30 10 IKEE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2C)C3=O)cc1OC 2323069103 VPUHKIQDAFODQS-UHFFFAOYSA-N 442.467 5.247 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1F 2323202430 SMMBAEZGMFSCOF-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(=O)c4ccc(C)c(C)c4)ccc3C2=O)c1OC 2323247266 FOWRAMNMDUEPSH-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE Cc1cc(OC(=O)c2ccc(Cl)c(Cl)c2)cc2c1C(=O)C(=Cc1ccccc1F)O2 2323259411 CQOUGIHVJVPHIK-UHFFFAOYSA-N 443.257 6.276 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccncc1)C2=O)c1cccc(Oc2ccccc2)c1 2323557611 HQUZXVHVUJLEDY-UHFFFAOYSA-N 435.435 5.709 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccc(F)cc1 2323692482 UKXHSRWRTCAUEB-UHFFFAOYSA-N 447.462 5.946 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)cc([N+](=O)[O-])c1OCc1ccccc1 2323767414 SLLIAFSASPCIEI-UHFFFAOYSA-N 437.879 6.122 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2Cl)o1 2323790285 HIQPYUKKYYPRAU-UHFFFAOYSA-N 445.298 6.238 30 10 IKEE O=C1C(=Cc2ccccc2OC(F)F)Oc2c1ccc(O)c2CN1CCCc2ccccc21 2324023786 CNANJZNLMDOWFV-UHFFFAOYSA-N 449.453 5.563 30 10 IKEE CC1(C)C[C@H]2C[C@@](C)(CN2Cc2c(O)ccc3c2OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)C1 2324097676 SVLQTEGSTGBAPX-HFJWLAOPSA-N 448.519 5.317 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(F)cc3)cc2Cl)cc1 2324184199 FJUDCWUUGRCELI-UHFFFAOYSA-N 437.898 5.955 30 10 IKEE CCc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccc(F)cc4)ccc3C2=O)cc1 2324306801 WUUALQXTZHVKOS-MRXNPFEDSA-N 431.463 5.410 30 10 IKEE Cc1c(OCC(=O)C(C)(C)C)ccc2c1OC(=Cc1ccc(Br)cc1)C2=O 2324923158 QTKWRZCJMWQIJQ-UHFFFAOYSA-N 429.310 5.368 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1ccc2c(c1)OC(=Cc1sccc1C)C2=O 2325092650 GBKHXENRDMMBGW-LJQANCHMSA-N 428.550 5.954 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O 2325141753 PDGIHCQVWXXIFP-KRWDZBQOSA-N 431.463 5.465 30 10 IKEE COC(=O)c1ccc(C=C2Oc3cc(OCc4cccc5ccccc45)ccc3C2=O)cc1 2325272356 ZZGHYZLWUZEOME-UHFFFAOYSA-N 436.463 5.822 30 10 IKEE Cc1ccc(CCOc2ccc3c(c2C)OC(=Cc2ccc(Cl)c(Cl)c2)C3=O)cc1 2325372649 BVAGDKDXZXRKHB-UHFFFAOYSA-N 439.338 6.848 30 10 IKEE CCOc1ccc(C=CC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OCC 2325633051 GYCFPHUYXPWQLP-UHFFFAOYSA-N 441.833 5.377 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1cn(C)c2ccccc12 2325642686 IUAJCIYSQFKGJM-UHFFFAOYSA-N 430.364 5.560 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2Cl)cc1OC(=O)Cc1ccc(C)c(C)c1 2325716744 QEKQEDUPHYTIIM-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE O=C(Cc1ccc(F)cc1F)Oc1cccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)c1 2325737001 HFKIASROASDEKX-UHFFFAOYSA-N 447.264 6.316 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccccc4F)c3C)C2=O)cc1 2325739570 ZLIJPYHEOZPYEW-UHFFFAOYSA-N 431.463 5.330 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cccc(OC(=O)c2ccc(F)c(F)c2F)c1 2325757770 SOQMHWHFQZPEAE-UHFFFAOYSA-N 440.417 5.845 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2cccc(OC(=O)c3sccc3C)c2)c1 2325758252 FWQMJEFORRMHDJ-UHFFFAOYSA-N 436.529 5.969 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OC(=O)CCc1ccc(Cl)cc1 2325759855 URKKKVMVVBPBLX-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE Cc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1ccccc1C(F)(F)F 2326315570 BDYDBMLEJWOAQM-UHFFFAOYSA-N 432.515 6.077 30 10 IKEE Clc1ccccc1CSc1nncn1N=Cc1ccccc1OCc1ccccc1 2326538113 HOJPBMVHZURXAQ-UHFFFAOYSA-N 434.952 5.685 30 10 IKEE Cc1cccc(OCCCc2nnc(SCc3ccccc3)n2N=Cc2ccc[nH]2)c1 2327007264 SHPIGLVJPWZEQR-UHFFFAOYSA-N 431.565 5.101 30 10 IKEE C=CCSc1nnc(CCc2cccc(OC)c2)n1N=Cc1cccc2ccccc12 2328652957 UPJONFBSEJWBND-UHFFFAOYSA-N 428.561 5.385 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccccc2)cc1 2329249107 JGVMOKOHKRNVHQ-UHFFFAOYSA-N 432.524 5.191 30 10 IKEE CCCSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2329445582 ZSMYSPVARSRLSP-UHFFFAOYSA-N 443.960 5.432 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1 2330653803 KHTADCCXKLZPLI-UHFFFAOYSA-N 440.926 6.928 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(OC)c1OC(=O)CC(C)(C)C 2330675035 UIDAVOVCCGZBHZ-UHFFFAOYSA-N 442.555 6.815 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1ccncc1 2330695619 FFERZXOKFQQDPH-UHFFFAOYSA-N 427.500 5.474 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2OC)cc1 2331049541 NOYIYWKGWFZWPK-UHFFFAOYSA-N 431.444 5.281 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3F)cc2Cl)c1 2331089797 VZTMQLRNGDKHTA-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(SCc2ccccc2)nnc1C(F)(F)F 2331136204 GNUHRSMFQGAVMB-UHFFFAOYSA-N 442.466 5.633 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)cc1)c1ccc(Cl)cc1 2331141887 YBQZOKMWUIIYSF-FGZHOGPDSA-N 437.322 6.599 30 10 IKEE C=CCSc1nnc(C(F)(F)F)n1N=Cc1ccc(OCc2ccccc2)c(OC)c1 2331145011 IAEZBBLIABTQSU-UHFFFAOYSA-N 448.470 5.045 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1)c1ccccc1 2331170433 PPSFTCVBEONEIK-UHFFFAOYSA-N 431.488 5.613 30 10 IKEE COCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1c(Cl)cccc1Cl 2331246415 LLVREYTXBNSCAO-UHFFFAOYSA-N 439.343 5.087 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(F)c2)cc(OC)c1OC(=O)C1CCCC1 2331467342 FWDTXEICTDMVEG-UHFFFAOYSA-N 438.495 5.563 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3[N+](=O)[O-])cc2)cc1 2331489927 LOCAIDZVIWJIRX-UHFFFAOYSA-N 429.472 5.762 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(F)cc1F 2331535408 YGGLZRBQPNRZMU-UHFFFAOYSA-N 426.390 5.618 30 10 IKEE CC(C)COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(F)c3)cc2)cc1 2331554861 GYAJPWISCIKIIU-UHFFFAOYSA-N 436.454 6.115 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3ccc(Cl)cc3)cc2)cc1C 2331704666 RONNAJAXVYXABS-UHFFFAOYSA-N 448.946 6.618 30 10 IKEE C=CCc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)CCCCCC 2331780149 NEYDMVCIQHZJAJ-UHFFFAOYSA-N 448.603 7.121 30 10 IKEE CC(C)(C)c1ccc(-n2nnc(C#N)c2NC(=O)C=Cc2ccc(Cl)cc2Cl)cc1 2332187562 SAJNKFKHMZRPGW-UHFFFAOYSA-N 440.334 5.395 30 10 IKEE CCOc1ccccc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2[nH]nc(-c3ccc(C)cc3)c21 6733090 DDAVMLKZRZNXQT-QFIPXVFZSA-N 427.548 5.984 30 10 IKEE CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(O)cc2)cc1 21218193 CFKNVKPYMSORFT-WTYVLRPYSA-N 438.571 6.669 30 10 IKEE COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccn2)c1 21226212 KCFRBPZQELYZPJ-AKJBCIBTSA-N 427.504 5.078 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(C(C)(C)C)cc1 34943649 BZPOOABRAXMKCT-QHCPKHFHSA-N 435.564 5.216 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2Cc2ccco2)c1 35444334 ZDVASQCFUJZRGS-AHAAGLQNSA-N 443.499 5.247 30 10 IKEE CCc1ccc(/C=C2\S/C(=N/c3cccc(C(=O)O)c3)N(c3ccccc3)C2=O)cc1 39866782 FGHIDUACFLOFQM-INCSMEFSSA-N 428.513 5.756 30 10 IKEE Cn1cc(/C=C2\Oc3c(ccc4c3CN(CCc3cccs3)CO4)C2=O)c2ccccc21 41661967 OHRUZNMKPWROOC-CFRMEGHHSA-N 442.540 5.251 30 10 IKEE C=CCn1c(CNc2cccc3ccccc23)nnc1SCCC(=O)Nc1ccccc1 59265568 JPVUAGZLEZXEGZ-UHFFFAOYSA-N 443.576 5.350 30 10 IKEE CCCCCCCCCCCC/C=C\[C@H]1OC(C)(C)O[C@H]1[C@H](O)[C@H]1COC(C)(C)O1 72399734 DLMNRRXIJRNPTJ-IPDHDOBMSA-N 426.638 5.886 30 10 IKEE in-vitro COc1cccc(CO/N=C(\C)c2cc(-c3ccc(F)cc3)n(-c3cccc(C)c3)c2C)c1 97632263 IICFHLNRQFRONS-TWKHWXDSSA-N 442.534 6.850 30 10 IKEE CCCCCCCOc1ccc2ccccc2c1[C@H]1Nc2ccccc2C(=O)N1CCCC 100137790 CYQAIKZQIHOVNI-NDEPHWFRSA-N 444.619 7.556 30 10 IKEE C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)Oc1ccc(OC(=O)[C@]34CC[C@@H](C3)C(C)(C)C4=C)cc1)C2 100937564 MTQQEFUABSMQCG-LNYGVPGBSA-N 434.576 6.262 30 10 IKEE CCCCCCCCCCN1C(=O)C(=O)c2cc(Br)cc(Br)c21 100958233 YHDJLSSWYXAADA-UHFFFAOYSA-N 445.195 5.882 30 10 IKEE C[C@H]1CCc2c(sc3nc(Cc4ccccc4F)n(Cc4cccc(C#N)c4)c(=O)c23)C1 169905668 FOVXZCTZFHLELS-INIZCTEOSA-N 443.547 5.233 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C)c(C)c2)c1 169932689 BSGZSWNSUAEDIA-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccc(C)cc2C)c1 169935839 RKDWEJHPIZVGND-NRFANRHFSA-N 448.544 5.168 30 10 IKEE CCCCCCCCCOc1ccc([C@H]2NC(=S)N(C)C(C)=C2C(C)=O)c(Cl)c1 169936947 BADSWFNQWNSBCX-JOCHJYFZSA-N 437.049 6.193 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1cccc(C)c1 169968478 SXQJLKMZHXYTCQ-HSZRJFAPSA-N 449.453 5.373 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2cccc(C)c2)cc1 169970555 WPJDYJRDNVLIMU-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@@H]2c2ccc(F)cc2)cc1 170061569 YRSSRCXSUTUVCQ-QHCPKHFHSA-N 431.463 5.180 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccccn2)cc1C 170175644 ALBYQXXIRTWZII-DEOSSOPVSA-N 442.515 5.188 30 10 IKEE Cc1ccc(-c2csc(C3=C(N)N(Cc4ccccc4OC(C)(C)C)CC3=O)n2)cc1C 170180136 IUMRFBVCAPFOLA-UHFFFAOYSA-N 447.604 5.316 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@@H]1c1ccccn1 170180984 IZFFVQVOWBXJEO-QFIPXVFZSA-N 436.552 5.156 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2cccnc2)cc1C 170187018 JZPWMOCXVJXARU-RUZDIDTESA-N 438.527 5.360 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccncc2)cc1 170204158 WOIMTXJOONGWSF-JOCHJYFZSA-N 448.906 5.305 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2)c(OCC)c1 170233908 VHUDSMDOSIMEJV-QHCPKHFHSA-N 435.520 5.005 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cc(Cl)ccc3OC)=C(O)C(=O)N2c2ccccc2)cc1 170265311 XNQJNLSVGZVMBP-QHCPKHFHSA-N 447.918 5.694 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1cn(C)c2ccccc12 170269113 FRPWOOLGBJKXJC-HSZRJFAPSA-N 427.504 5.038 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccco2)c1 170297053 ZJXZRRJZCFCTGE-QHCPKHFHSA-N 427.456 5.421 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C)o2)cc1C(C)C 170306919 CTVHXKRAMATRKW-QHCPKHFHSA-N 449.503 5.482 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(OCC(C)C)cc2)c1 170344657 ZWTHWMJELCAYST-VWLOTQADSA-N 441.527 5.813 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cccc(OC)c2)cc1 170451926 RRELMMAWUSRYNB-JOCHJYFZSA-N 436.552 5.057 30 10 IKEE CCCOc1ccccc1N1C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]1c1ccc(C(C)(C)C)cc1 170469828 JVJUKSBTERFYEH-VWLOTQADSA-N 449.591 6.288 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)C(C)C)[C@@H]1c1ccc(C(C)(C)C)cc1 170470172 IFWGPNNHOIULBO-NRFANRHFSA-N 425.956 6.071 30 10 IKEE CCOc1ccc2c(c1)O/C(=C/c1cccc(OCC)c1OC(=O)c1ccc(C)cc1)C2=O 210084417 JWHPPUKZRPGWER-BUVRLJJBSA-N 444.483 5.628 30 10 IKEE O=C1c2ccccc2/C(=N\N=C\c2cccs2)[C@@H]1C(=O)C(c1ccccc1)c1ccccc1 229348821 HVGXDJIYCGJBDN-ZMFXQPDWSA-N 448.547 5.785 30 10 IKEE CC1(C)[C@H]2CC[C@]1(C)C(=NN=C1NC(=O)/C(=C\c3cccc(Br)c3)S1)C2 252636279 XGBYPXJUPDRINW-QMGOUDKXSA-N 432.387 5.211 30 10 IKEE c1ccc(CCC(CCc2ccccc2)=NNc2nnc(SCc3ccco3)[nH]2)cc1 253571501 PANZISXVGRNNKR-UHFFFAOYSA-N 431.565 5.724 30 10 IKEE O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Nc1ccccc1N=Cc1ccccc1O 254477792 RZZIDAKVEJOAMA-UHFFFAOYSA-N 446.341 5.722 30 10 IKEE CCOc1cc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2ccccc2C#N)ccc1OC 526605651 DLAHYBMPKMCXMC-QFIPXVFZSA-N 432.501 5.084 30 10 IKEE CCCCOc1ccc(/C=N\n2c(CCC)nnc2SCc2cc(C)cc(C)c2)cc1 526809766 SYLRLOHJUYRFJO-ONUIUJJFSA-N 436.625 6.201 30 10 IKEE COc1ccc(/C=N\n2c(C)nnc2SCc2cc(C)cc(C)c2)c(Cl)c1OC 526810055 VGCHQCGIDOPROL-KSEXSDGBSA-N 430.961 5.048 30 10 IKEE CC(C)(C)Oc1ccc(/C=N\n2cnnc2SCc2c(Cl)cccc2Cl)cc1 526813752 CYWANFXZYZJAQR-MYKKPKGFSA-N 435.380 5.937 30 10 IKEE CCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1ccc(Cl)cc1Cl 526822421 KBPOMGBKGOHNRX-MSXFZWOLSA-N 430.364 5.584 30 10 IKEE C[C@@H]1CCc2c(sc(NC(=O)C[S@](=O)C(c3ccccc3)c3ccccc3)c2C#N)C1 526893932 PWXKFSWLHOLROC-INZIPBBXSA-N 448.613 5.221 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1c(F)cccc1Cl 698452867 CWHPQTJQXIXQIZ-INIZCTEOSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 698972701 RTRHAZAWYYOZNK-DEOSSOPVSA-N 448.950 6.925 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C=O)(Cc1cccc(Cl)c1Br)C2 719515434 AKIBDYWTXYKIMY-GJZGRUSLSA-N 442.781 5.392 30 10 IKEE C=CCC1([C@@H](Cc2ccc(Br)s2)NCCC)CN(C(=O)OC(C)(C)C)C1 722912730 HLPORSMTKYLVDD-MRXNPFEDSA-N 443.451 5.235 30 10 IKEE C=C1CCC(C[C@@H](N)[C@@H](Cc2ccc(Br)cc2)NC(=O)OC(C)(C)C)CC1 724598492 BPACRGXVRRTMEV-WOJBJXKFSA-N 437.422 5.349 30 10 IKEE C#Cc1cccc(NC(=S)/C(=C(/O)c2cccc([N+](=O)[O-])c2)[n+]2ccc(CCC)cc2)c1 726574021 XXVROMBNDBLAMP-UHFFFAOYSA-O 444.536 5.139 30 10 IKEE N#C[C@H](C(=O)CCc1cc2ccccc2nc1O)c1nc2cc(C(F)(F)F)ccc2s1 767435106 KUVCIFQJQSKAHZ-OAHLLOKOSA-N 441.434 5.378 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1 920143460 PXMNVBCWCBEHLS-WBMJQRKESA-N 447.343 5.769 30 10 IKEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(CC)C1CCCCC1 1507915029 RWIBVXYAMUYJNY-UHFFFAOYSA-N 434.588 5.355 30 10 IKEE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)C2=NNc1ccccc1 1772722212 IEXZGIWQWLPETO-PKTZIBPZSA-N 444.362 5.795 30 10 IKEE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cc(Cl)ccc1Cl)C(=O)C2=NNc1ccccc1 1772722506 YPYZLBFPGKZVNT-PKTZIBPZSA-N 444.362 5.795 30 10 IKEE CN1C(=O)/C(=C/c2ccc(-c3c(Cl)cccc3Cl)o2)SC1=Nc1ccccn1 1772730379 HVBPRSVJFOLYBL-RSRMSENYSA-N 430.316 5.882 30 10 IKEE CCc1ccc(NC(=S)N/N=C\c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 1857810693 BZDPGQFWBDXHAK-PKAZHMFMSA-N 439.588 5.731 30 10 IKEE C=CCN(CC=C)c1nc(-c2cc[nH]c(=NCCC3=CCCCC3)c2)cc2cnccc12 1857844009 JHASLVTUFJQLNP-UHFFFAOYSA-N 425.580 5.595 30 10 IKEE Cc1cccc(Cn2nc(C(=O)Nc3ccc(C#N)cc3)cc2-c2cccc3ccccc23)c1 1859393540 UOSSUCVRVWTYCL-UHFFFAOYSA-N 442.522 6.184 30 10 IKEE Cc1ccc(CCCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1C 1859649992 AMJZVAAEAFSJOH-UHFFFAOYSA-N 434.539 7.064 30 10 IKEE C[C@@H](Sc1nc(O)c(C#N)c(-c2ccccc2Cl)n1)C(=O)Nc1ccccc1Cl 1860826699 JRAISJSLIZCUQB-LLVKDONJSA-N 445.331 5.147 30 10 IKEE CCCCCCCCNC(=O)[C@H](NC(=O)CCCOc1ccc(C)cc1)c1ccccc1 1861681276 MDQMIGGFQYQRBZ-AREMUKBSSA-N 438.612 5.488 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc2cc[nH]c2c1 1862380728 JXVARMWWVOEMHN-FQEVSTJZSA-N 443.330 5.853 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2ccc(Cl)cc2)cc1 1862391882 KOLOSCXDYYTEBX-OPAMFIHVSA-N 425.956 6.059 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(C(C)C)cc1 1862406939 BWHYQIXBNOBBRT-VWLOTQADSA-N 449.591 6.286 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@H]1c1cccc(F)c1)c1ccccc1Cl 1862430156 DFLUABUXKFGMBM-NRFANRHFSA-N 439.845 5.397 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2C2CCCC2)cc1 1862458768 VIKKTDYINQCSDT-NRFANRHFSA-N 429.438 5.187 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@@H]2c2cccc(F)c2)cc1 1862529027 BDAAFSDUMPCKSV-RUZDIDTESA-N 443.518 5.518 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 1862529362 FCRMUPANANQPOX-RUZDIDTESA-N 443.518 5.599 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(C)cc1 1862533010 JLJMMEVUENTOQC-DEOSSOPVSA-N 435.564 5.343 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862599002 ZQPIEBITZUWAMI-IBGZPJMESA-N 434.319 5.323 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1ccc(OCCC)cc1 1862643162 LYZFNFWSELAWHN-JOCHJYFZSA-N 441.499 5.002 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccccc1Br)c1ccc(F)cc1 1862680642 HGCUCANXKLOZNP-IBGZPJMESA-N 444.300 5.109 30 10 IKEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2cccc(C)c2)cc1 1862732566 ITPUYVVRWRTBCY-RUZDIDTESA-N 449.591 6.333 30 10 IKEE Cc1ccc(Cl)cc1NC1=C(c2ccccc2F)C(=O)N(c2ccccc2C#N)C1=O 1862934409 RKFVRPWSVSIPBC-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE N#Cc1ccc(NC2=C(c3cccs3)C(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1 1863115735 SOBPTKYLHXFHOL-UHFFFAOYSA-N 440.311 5.323 30 10 IKEE N#Cc1cccc(NC2=C(c3cccc4ccccc34)C(=O)N(Cc3ccccc3F)C2=O)c1 1863226475 XBFSQLBAFPSYKK-UHFFFAOYSA-N 447.469 5.243 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(Cl)cc2)C(=O)N(C[C@@H]2CCCO2)C1=O 1863528875 CPOMUFQKSQSGMJ-NRFANRHFSA-N 447.019 5.329 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(Cl)cc2)C(=O)N(CCCN(C)C)C1=O 1863531277 ORBVYSGJHFBNAL-UHFFFAOYSA-N 448.051 5.102 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC2CC2)=C(c2ccc(OC(C)C)cc2)C1=O 1863695582 PVQYJVXDWMBKIH-UHFFFAOYSA-N 426.601 5.446 30 10 IKEE CCCC[C@H](NC(=O)C[C@@H](c1ccc(Cl)cc1)C(C)C)C(=O)Nc1ccccc1C#N 1866760643 GODRVUWYIWBMOW-GGAORHGYSA-N 439.987 5.655 30 10 IKEE CCC[C@H](NC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866989869 FWSASRBXWRTXSK-LEWJYISDSA-N 446.378 5.528 30 10 IKEE CC(C)c1nc(Nc2cccc(C#N)c2)cc(N2CCC[C@@H]2c2nc3ccccc3s2)n1 1868221467 NEBYRJUNDKWHEQ-HXUWFJFHSA-N 440.576 6.166 30 10 IKEE CC(C)c1nc(Nc2ccccc2C#N)cc(N2CCC[C@H]2c2nc3c([nH]2)CCCC3)n1 1868238930 XTLYLLNGTIZKLW-NRFANRHFSA-N 427.556 5.159 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC[C@@H](Oc3ccccc3)C2)nc(-c2ccc(C)cc2)n1 1869176942 DVXCOLKIVFEVCK-RUZDIDTESA-N 440.591 5.678 30 10 IKEE CCCCCCCCCCn1cc(OCc2cnnn2Cc2ccccc2)c(=O)cc1C 1870093862 ZFIYWIDPMMMBTJ-UHFFFAOYSA-N 436.600 5.516 30 10 IKEE N#Cc1nnn(Cc2c(Cl)cccc2Cl)c1NC(=O)c1ccccc1-c1ccccc1 1870108457 IGRNOZUOBJJQQB-UHFFFAOYSA-N 448.313 5.424 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)N[C@@H](C)CC)c(=O)cc1CSCC 1870293673 DWDHVVPRYIIMQH-FQEVSTJZSA-N 438.678 5.536 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(C(C)C)cc2)c(=O)cc1CN1CCCC1 1870471938 BZJSOLSJPRQYFR-UHFFFAOYSA-N 438.656 6.507 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCCOc2ccc(C)cc2)cn1CCC(C)C 1870777811 WPESQKALRODGGB-UHFFFAOYSA-N 438.612 5.225 30 10 IKEE CCCCCCCOc1cn(CCc2ccccc2)c(CNc2cc(C)cc(C)c2)cc1=O 1870830114 CUJHAXMJHVRWME-UHFFFAOYSA-N 446.635 6.669 30 10 IKEE CCCCCCCOc1cn(CC)c(CNc2ccc(Br)c(C)c2)cc1=O 1870836502 YQPKDWYGKRAVLV-UHFFFAOYSA-N 435.406 5.900 30 10 IKEE C#CCOc1cn(Cc2ccc(Cl)cc2)c(CNc2cccc(C(F)(F)F)c2)cc1=O 1871011156 ZPIUAZAAPYGLCW-UHFFFAOYSA-N 446.856 5.193 30 10 IKEE CCCCCCCCCCN=c1nc2c(cnn2C)c(Nc2ccc(F)cc2Cl)[nH]1 1871298570 AWZHGUHMGDKXRR-UHFFFAOYSA-N 432.975 5.874 30 10 IKEE C[C@H]1CCCC[C@@H]1N1COc2ccc3c(c2C1)O/C(=C\c1ccc(Cl)cc1Cl)C3=O 1871350475 HVOXMRJCAFSKAJ-CACCHZQUSA-N 444.358 6.340 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc4c3CN(C[C@H](O)c3ccc(Cl)cc3)CO4)C2=O)c1 1871353233 NRPJSLXRSYEYMS-LRRLVBENSA-N 447.918 5.150 30 10 IKEE Cc1cccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCCCc2ccccc2)C4)c1 1871354388 PEIMDXWXVRXIFS-ONUIUJJFSA-N 439.555 6.094 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(-n5cccc5)cc4)c3C)C2=O)o1 1871384588 ZGSBNRYMOJYOFX-HAHDFKILSA-N 425.440 5.523 30 10 IKEE Cc1cc(OCCCOc2ccccc2)cc2c1C(=O)/C(=C/c1ccc(N(C)C)cc1)O2 1871398339 PGBIGCIBKRSPJK-UQQQWYQISA-N 429.516 5.525 30 10 IKEE Cc1c(OCCCOc2ccccc2)ccc2c1O/C(=C\c1c(F)cccc1Cl)C2=O 1871398341 PHBNGNOIJWZTID-HAHDFKILSA-N 438.882 6.252 30 10 IKEE Cc1cccc(OCCCOc2ccc3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)c1 1871404439 BBQBVYMJSJCRNI-IWIPYMOSSA-N 431.444 5.367 30 10 IKEE CCCOC(=O)[C@H](CC)Oc1ccc2c(c1)O/C(=C\c1ccccc1OC(F)F)C2=O 1871433046 KCLPHKXXYZKYKZ-BRLDDBHUSA-N 432.419 5.015 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2Cl)Oc2cc(OCc3cccc4ccccc34)ccc21 1871435091 YPUKUGCLBOBZST-ROTLSHHCSA-N 447.317 7.342 30 10 IKEE CCCOC(=O)[C@H](CC)Oc1ccc2c(c1C)O/C(=C\c1c(Cl)cccc1Cl)C2=O 1871435225 ZLPMOPOOXHFDRP-HRVJUDJTSA-N 449.330 6.029 30 10 IKEE COc1ccc(CCOc2ccc3c(c2C)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1 1871448092 KEZZHVZFUCDJRY-ONUIUJJFSA-N 428.528 6.365 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)c1ccccc1)S(=O)(=O)CCCC 1872016037 LZIMNRFHSZSPGK-QHCPKHFHSA-N 442.625 5.282 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccccc1C)[C@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1872440851 HGUFJDRQKHUNPC-VGSWGCGISA-N 449.016 5.269 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1C(C)C)[C@@H](C)CC)S(=O)(=O)c1cccs1 1872461812 NJTDGDGQKUDGJC-PGRDOPGGSA-N 448.654 5.492 30 10 IKEE Cc1cccc(OCC(=O)[C@H](C#N)c2nc(-c3cccc(Br)c3)cs2)c1C 1872763652 RIAYPCRSHIMJSB-KRWDZBQOSA-N 441.350 5.445 30 10 IKEE Cc1cc(-c2csc([C@H](C#N)C(=O)COc3cc(C)c(Cl)c(C)c3)n2)ccc1F 1872772958 VCIVCTLKJSZIQA-QGZVFWFLSA-N 428.916 5.783 30 10 IKEE CCCc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3OC)cs2)cc1 1872783687 FYLBBKCJWINQDJ-HXUWFJFHSA-N 436.533 5.035 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(OC(C)C)cc3)n2)c(OC)c1 1872783734 GQZBKWMFFUIVHK-FQEVSTJZSA-N 436.533 5.033 30 10 IKEE CCCCCCCSc1nc2ccc(C(=O)N(CCO)Cc3ccccc3)cc2[nH]1 1872823781 PYHYHSPDVQRWIM-UHFFFAOYSA-N 425.598 5.260 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2C(C)(C)C)=C(c2c(Cl)cccc2Cl)C1=O 1873289289 GIXFYODDSPREOK-UHFFFAOYSA-N 429.347 5.669 30 10 IKEE Sc1nnc(CCc2ccccc2)n1/N=C/c1cccc(OCc2cccc(Cl)c2)c1 1873502722 RPNRGXOYDAGOMN-WGOQTCKBSA-N 448.979 5.467 30 10 IKEE C=CCn1c(C(=O)NCCCCCCCCCC)cc2c(N(C)CCCC)ncnc21 1873595128 PKTOQPHCMPZCAW-UHFFFAOYSA-N 427.637 5.724 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(O)cc1 1874204322 VJZHNMSKYPCTBL-SSDVNMTOSA-N 435.336 5.030 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1cccc(O)c1 1874213083 ULZSKLPXQHKTBS-ZVHZXABRSA-N 442.972 5.199 30 10 IKEE CCOc1c(/C=N/n2c(CC34CC5CC(CC(C5)C3)C4)nnc2SC)cccc1OC 1874242102 OEAPCXRYKCJMLF-MFKUBSTISA-N 440.613 5.048 30 10 IKEE C=CCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1cccc2ccccc12 1874255655 CIISLOACFKKCNM-JVWAILMASA-N 442.588 6.096 30 10 IKEE CCCc1ccc(OCc2nnc(SCC)n2/N=C/c2cccc3ccccc23)cc1 1874257526 FJOFNIMHVHUEMP-YZSQISJMSA-N 430.577 5.957 30 10 IKEE C=CCSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1c[nH]c2ccccc12 1874259384 WQHJYQBMTOJKPQ-WGOQTCKBSA-N 431.565 5.451 30 10 IKEE C=C(C)CSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1cccc(OCC)c1 1874260766 QGAWPTQVVQARME-BRJLIKDPSA-N 444.507 5.084 30 10 IKEE CCSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1cccc(Br)c1 1874320248 IBBPCJWNHYDEHP-WSDLNYQXSA-N 445.386 5.231 30 10 IKEE C=CCSc1nnc(Cc2ccc(OC)cc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874352083 QPSDNZFWFLOFQU-AFUMVMLFSA-N 432.471 5.057 30 10 IKEE Cc1ccsc1/C=N/n1c(SCc2cccc(F)c2)nnc1-c1ccccc1Cl 1874366876 ZCERDKXARRUZIC-WYMPLXKRSA-N 442.972 6.282 30 10 IKEE CCCSc1nnc(COc2ccccc2)n1/N=C/c1cccc(Br)c1 1874385380 MMEQJVAJZKBIQA-FYJGNVAPSA-N 431.359 5.004 30 10 IKEE C=C(C)CSc1nnc(Cc2ccccc2)n1/N=C/c1ccc(Br)cc1 1874417695 NYHZIOMVFYTXFQ-LPYMAVHISA-N 427.371 5.182 30 10 IKEE Clc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2ccc[nH]2)c(Cl)c1 1874419580 UWAOTMOVAJFDQZ-DHRITJCHSA-N 442.375 5.678 30 10 IKEE CC(=O)NCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1ccc(C(C)(C)C)cc1 1874434262 WEZXYTLGDIGPEX-MZJWZYIUSA-N 449.624 5.003 30 10 IKEE Cc1ccc(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2ccc(Cl)cc2Cl)cc1 1874442208 WABOWNZMWBTNJN-OGBFJMLUSA-N 447.391 5.919 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C(F)(F)F)c1 1874462377 PXHRETZXRKJBBV-BHGWPJFGSA-N 440.878 5.524 30 10 IKEE Brc1cccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccco2)c1 1874466122 ADIUCTZOXMEQJM-LPYMAVHISA-N 439.338 5.475 30 10 IKEE COCc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc(C(F)(F)F)cc1 1874501877 DXJUPZPOTVSGQS-YSURURNPSA-N 440.878 5.271 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2ccc(Cl)cc2)c1 1874512134 YEWLUBGVPPGMRC-WYMPLXKRSA-N 441.988 5.285 30 10 IKEE CCCCCOc1ccc(/C=N/n2cnnc2SCc2c(F)cccc2Cl)cc1 1874540817 VWBUMZVDCLEKKF-DHRITJCHSA-N 432.952 5.814 30 10 IKEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1ccccc1Cl)Nc1ccccc1 1874574939 MPFRGWNFYFEJGJ-ZRDIBKRKSA-N 426.299 5.907 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2cc(C)ccc2C)cc1 1874579962 QPLZPSODGZDGBY-UKTHLTGXSA-N 434.963 7.221 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3cc(C)cc(C)c3)c2)cc1 1874594851 GXKRIGUEVXPONY-VZUCSPMQSA-N 445.515 5.234 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OCC(=O)Nc1ccccc1F 1874618622 KRZKKPXMQBKJEY-ACCUITESSA-N 447.506 5.755 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 1874625603 MVPWFPYOFQQNEA-NYYWCZLTSA-N 445.317 7.006 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCC(CCCC)CC1 1874651717 VGEZUKWWMSOGBQ-AJEPASEPSA-N 449.639 5.392 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3cccc(C)c3C)c2)cc1C 1874696087 HVMPOADMLJEALX-ACCUITESSA-N 430.500 5.501 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Br)cc2)cc(OC)c1OC(=O)CC(C)C 1875110081 SFOIZZGADZRAIN-BJMVGYQFSA-N 447.325 5.314 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3c(C)cccc3C)cc2)cc1 1875112591 LFNFPHLFOOJUNA-WOJGMQOQSA-N 444.527 5.973 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@@H]2CCCO2)c(Br)c1)c1ccccc1Cl 1875113346 FIKKGLRYQLBTMF-XSBJJCPUSA-N 435.701 5.083 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)Cc1ccccc1 1875135849 KLDROOYVRCAWEW-SDNWHVSQSA-N 434.919 6.091 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)CCc1ccccc1 1875141195 SCPPKCCKBAOGTF-UKTHLTGXSA-N 448.490 5.586 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc([N+](=O)[O-])c1OC(=O)CC(C)C 1875157309 YJDUUMPPYVQJNE-KPKJPENVSA-N 439.508 5.965 30 10 IKEE C#CCN1CC[C@H](NCC)[C@@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875652752 URZZWONZNRFISD-WNJJXGMVSA-N 440.587 5.203 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)[C@H]1C(C)(C)C 1880431051 YTQZMTYJGQOTIS-KBMIEXCESA-N 443.588 5.351 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)cc21 1890677348 KLDGTJZJKDLGEM-IBGZPJMESA-N 434.580 5.565 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)Nc3cc(Cl)cc(Cl)c3)cc21 1891158628 KBBAZTKTXWCYQB-UHFFFAOYSA-N 434.323 5.575 30 10 IKEE CCN(CC)c1cccc(OCC#CCNC(=O)[C@H](c2ccccc2)C2CCCCC2)c1 1891231722 UWWCSEZQPAFFKP-HHHXNRCGSA-N 432.608 5.395 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)C1CC(F)(F)C1 1922087559 ZKSRTCQMJKIRAB-LEWJYISDSA-N 438.559 5.066 30 10 IKEE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1934339390 ZYJBRPMCBOVOKO-NEEULUBSSA-N 433.596 5.474 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@]1(C#N)CCN(Cc2ccccc2)C2(CC2)C1 1953247541 WBIHVIXDYOXGGV-MHZLTWQESA-N 431.580 5.515 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)[C@@H]1C(C)(C)C 2020136519 MHBYORQVSGVVIT-MHECFPHRSA-N 429.561 5.356 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)[C@@H](C)CN(Cc2ccccc2)C[C@H]1C 2037933536 BMPYDEGSDNEQLI-NEEULUBSSA-N 433.596 5.787 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Br)c1Cl)NCCC 2063089561 BNDUDLSGRLUGAI-HOTGVXAUSA-N 431.802 5.093 30 10 IKEE CCCc1ccc([C@@H](C2CCC2)n2nc(C3CC3)c(C#N)c2I)cc1 2079836780 KFLFIGLBMLKYIL-HXUWFJFHSA-N 445.348 5.579 30 10 IKEE C=CCCCCCCCC[C@H](O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2086264091 OKVOFGZUNRVGNL-IGKIAQTJSA-N 444.660 5.824 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCC2(CCOCC2)C1 2159744384 LMKFKZMRSPPTHQ-NRFANRHFSA-N 435.362 5.434 30 10 IKEE CN(Cc1ccccc1CNc1cccc(Br)c1C#N)C(=O)OC(C)(C)C 2162380397 XJJXJJSTAOZIJS-UHFFFAOYSA-N 430.346 5.300 30 10 IKEE CC1(C)CCCN(Cc2ccccc2)[C@@H]1CNc1ccc(C#N)c(Br)c1F 2184356824 YBNDFTLTHCWNAM-LJQANCHMSA-N 430.365 5.563 30 10 IKEE CCCCC#CC[C@H](NCCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2203820542 WTMZSPCBFUDUEE-FQEVSTJZSA-N 437.422 6.421 30 10 IKEE Cc1sc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)c(Br)c1C 2229235704 HCXLAUGCUFIAKG-HNNXBMFYSA-N 439.350 6.273 30 10 IKEE CCOc1ncc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)s1 2231288579 CKJUIUBTGYTMOL-AWEZNQCLSA-N 438.347 5.311 30 10 IKEE Cc1cc(C)c(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)cc1NC(=O)OC(C)(C)C 2232326976 ZHVLGLLUODGYJM-UHFFFAOYSA-N 440.349 5.137 30 10 IKEE C=CCCCCC[C@@H](NC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237411786 GBFOJMANCAWAAS-UXHICEINSA-N 439.438 5.609 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)C1(C#N)CCC(NC(=O)OCc2ccccc2)CC1 2241906311 XUNGGSILFWLHNN-UHFFFAOYSA-N 429.561 5.011 30 10 IKEE CC1(C)OB(c2cc(Cl)ccc2C(=O)N(Cc2ccccc2)CC2CCC2)OC1(C)C 2255822365 LWFNCHCMXFCOPQ-UHFFFAOYSA-N 439.792 5.082 30 10 IKEE C=CC[C@]1(COc2ncc(Cl)cc2Br)CCCN1C(=O)OC(C)(C)C 2259490798 ZVDBCCIHHIRXLP-GOSISDBHSA-N 431.758 5.222 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)Nc2cccc(OCc3ccccc3)c2)s1 2267109720 UDGJNJHYMVJENJ-UHFFFAOYSA-N 449.381 5.187 30 10 IKEE Cc1cc(C(=O)Nc2cccc(OCc3ccccc3)c2)ccc1B1OC(C)(C)C(C)(C)O1 2282695241 ZTSGMMUZQKZEAS-UHFFFAOYSA-N 443.352 5.126 30 10 IKEE O=[N+]([O-])c1ccc(NN=C(C=Cc2ccc(Cl)cc2)c2cccs2)c([N+](=O)[O-])c1 2293069251 CWGVYKILAOKCSB-UHFFFAOYSA-N 428.857 5.748 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(F)c([C@@H](O)C#Cc2cccc(Br)c2)cc1F 2296229335 ITZOAGNHGFCQCA-SFHVURJKSA-N 438.268 5.159 30 10 IKEE CCN[C@@H](C#Cc1cccc(Br)c1)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C 2296284347 PYYFJWIKPSSAIB-OALUTQOASA-N 437.422 5.108 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)C[C@@H](C)N(CC)C(=O)OC(C)(C)C 2296285199 ZJGKRQCOPYTGEI-YLJYHZDGSA-N 437.422 5.204 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)CCC[C@H](C)NC(=O)OC(C)(C)C 2296286549 MMFAOFOWLPZXCL-PXNSSMCTSA-N 437.422 5.252 30 10 IKEE Cc1c(NC(=O)OC(C)(C)C)ccc(C(=O)C#Cc2ccc(Br)cc2)c1C 2296291285 MURMJZUKNVOUHI-UHFFFAOYSA-N 428.326 5.647 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@@H](CC(C)C)NC(=O)OC(C)(C)C 2296300970 OYDCKZQZYKGHLN-WOJBJXKFSA-N 437.422 5.108 30 10 IKEE CC(=O)C1=C(c2ccccc2)SC(=C2C(=S)C(C)(C)Nc3cc(C)c(C)cc32)S1 2296664988 VFFQHFGASOTVJJ-UHFFFAOYSA-N 437.655 6.984 30 10 IKEE Cc1ccc(CN2c3ccsc3C(=O)C(=CNc3ccc(C)cc3C)S2(=O)=O)cc1 2297378520 ZJGOLHFOBFJDQZ-UHFFFAOYSA-N 438.574 5.160 30 10 IKEE COc1cccc(COc2ccc3c(c2)OC(=Cc2cccc(Br)c2)C3=O)c1 2314437831 XOBGSABTIVOWAC-UHFFFAOYSA-N 437.289 5.653 30 10 IKEE CC(C)=C(CN(C)[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21)B1OC(C)(C)C(C)(C)O1 2317859957 VYWUTQDPCVYATC-JVNMPXIPSA-N 425.422 5.270 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2c(F)cccc2Cl)nnc1C1CC1 2320919091 SOZJFKVHZVLKLD-UHFFFAOYSA-N 442.947 5.687 30 10 IKEE Cc1ccc(COc2ccc3c(c2C)OC(=Cc2ccc(-c4ccccc4)cc2)C3=O)cc1 2321744053 JEZOJAAIHBWYJK-UHFFFAOYSA-N 432.519 7.166 30 10 IKEE CC(C)Cc1nnc(S)n1N=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 2321908073 OTAPUUMSZUKEKH-UHFFFAOYSA-N 435.380 5.533 30 10 IKEE Sc1nnc(-c2ccco2)n1N=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 2321911954 CHRYKABAKMLAHH-UHFFFAOYSA-N 445.331 5.595 30 10 IKEE Sc1nnc(C2CCCC2)n1N=Cc1cccc(OCc2c(Cl)cccc2Cl)c1 2321928148 OEHAWZAIUUASSL-UHFFFAOYSA-N 447.391 5.992 30 10 IKEE O=C1C(=Cc2cccc([N+](=O)[O-])c2)Oc2c1ccc1c2CN(Cc2ccc(Cl)cc2)CO1 2321957312 QNSHCQIZAHHAPV-UHFFFAOYSA-N 448.862 5.217 30 10 IKEE Cc1ccc(C)c(COc2ccc3ccccc3c2C=CC(=O)c2cccc([N+](=O)[O-])c2)c1 2322307942 AAPIODJJZCEFHT-UHFFFAOYSA-N 437.495 6.840 30 10 IKEE CCOc1ccc(C=C2Oc3c(cc4c(c3C)OCN(C3CCCCCC3)C4)C2=O)cc1 2322359627 YTZYMIFIPFEIDI-UHFFFAOYSA-N 433.548 5.885 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1cccc([N+](=O)[O-])c1)C3=O)CN([C@H]1CCCC[C@@H]1C)CO2 2322391868 YUZOMVBSYNKBGC-BTYIYWSLSA-N 434.492 5.250 30 10 IKEE O=C(C=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 2322466238 DDPZMRKTMMXWTR-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Cl)ccc1OCC(=O)Nc1c(C)cccc1C 2322481565 IXODWQKKGBWIJC-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2c(OCc3cccc(Cl)c3)ccc3ccccc23)c1 2322617024 JIRLTCFMTLRMEF-UHFFFAOYSA-N 426.943 7.585 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cc(Cl)ccc2OCc2nc(O)c3ccccc3n2)c1 2322617362 JXEIKMXDADJJDC-UHFFFAOYSA-N 444.918 6.081 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C(C)C)cc2)c1OCc1c(F)cccc1Cl 2322737979 HLVNHCWZZMPUGR-UHFFFAOYSA-N 438.926 7.086 30 10 IKEE COc1cccc(C=CC(=O)c2cc(Cl)ccc2Cl)c1OCc1ccc(F)cc1 2323009451 SOGPLRCYDUEHFJ-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)CCc4ccc(C)cc4)ccc3C2=O)c(OC)c1 2323078920 ZEAVAIBMJJZQQW-UHFFFAOYSA-N 444.483 5.167 30 10 IKEE COc1cc(C(=O)C=Cc2cccc(OCc3cccc(F)c3)c2)c(OC)cc1Cl 2323273922 UWYQTIOZHQEGCZ-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)ccc1OCc1cccc(C)c1 2323353342 RZGFDZUFRKZELT-UHFFFAOYSA-N 448.562 7.536 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OC(=O)c4c(F)cccc4Cl)c3C)C2=O)c1 2323354718 XNZUOMKGKBVUOL-UHFFFAOYSA-N 438.838 5.632 30 10 IKEE COc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)ccc1OCc1ccc(C)cc1 2323358058 BBUOWLHQCLAREB-UHFFFAOYSA-N 434.535 7.146 30 10 IKEE Cc1c(OC(=O)c2ccc(C=CC(=O)O)cc2)ccc2c1OC(=Cc1ccc(F)cc1)C2=O 2323613106 DIDRSQLRFVBPDT-UHFFFAOYSA-N 444.414 5.067 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 2323791060 HNGAIJXOYPXYJN-UHFFFAOYSA-N 438.823 5.632 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccccc2)C3=O)cc1Cl 2324353549 BRPVLDNWDGQCPL-QGZVFWFLSA-N 447.918 5.979 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)cc1 2324379208 LDUQGOIQZHPPKS-KRWDZBQOSA-N 431.463 5.465 30 10 IKEE CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2sccc2C)C3=O)cc1 2324521364 NZFGXZWGZIIBLL-MRXNPFEDSA-N 449.528 5.477 30 10 IKEE Cc1ccc(C)c(COc2ccc(C=CC(=O)c3cc(C(C)(C)C)ccc3C)cc2Cl)c1 2324574132 UGLSSKWDHDBRDZ-UHFFFAOYSA-N 447.018 8.038 30 10 IKEE COc1ccc(OCCCOc2ccc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)cc1 2324705770 NHNREKXYKYNTEK-UHFFFAOYSA-N 434.463 5.607 30 10 IKEE CCc1ccc(NC(=O)[C@H](CC)Oc2cc(C)c3c(c2)OC(=Cc2ccco2)C3=O)cc1 2324817073 ZCIQOLGKQSYKOQ-NRFANRHFSA-N 431.488 5.563 30 10 IKEE Cc1cc(OCC(=O)N[C@H](C)c2ccccc2)cc2c1C(=O)C(=Cc1ccccc1Cl)O2 2325019757 KYMQQTJSNIVSMC-QGZVFWFLSA-N 447.918 5.521 30 10 IKEE CCCCCCOC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccccc1OCC)C2=O 2325031516 SQULNJPQIRJTES-UHFFFAOYSA-N 438.520 5.512 30 10 IKEE Cc1ccccc1C=C1Oc2cc(O[C@H](C)C(=O)Nc3c(C)cccc3C)ccc2C1=O 2325141904 OTDFJMZADOBMTG-LJQANCHMSA-N 427.500 5.634 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3)n2N=Cc2ccccc2O)c1 2325448754 RIXMDPMDLQLKMV-UHFFFAOYSA-N 442.588 5.560 30 10 IKEE CCCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1N=Cc1ccc(Cl)cc1 2325513601 NPKFWCVFZDDGGE-UHFFFAOYSA-N 446.960 5.218 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccccc1F 2325535410 NSFFOMJBFSYQHA-UHFFFAOYSA-N 437.371 6.241 30 10 IKEE O=C(C=Cc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 2325631115 GTFWVXNBZQXLSN-UHFFFAOYSA-N 433.169 5.141 30 10 IKEE COc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc4ccccc4c3)c2)cc1OC 2325700094 YXVPAEZZLRHSQR-UHFFFAOYSA-N 438.479 5.972 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OCC(=O)Nc3cccc4ccccc34)ccc2C1=O 2325706991 JPPWLBNOFOKVTP-UHFFFAOYSA-N 441.508 5.843 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(OCC)cc3)c2)cc1 2325711124 IYIQCYOYLCMHHO-UHFFFAOYSA-N 442.555 6.472 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2Cl)C3=O)cc1 2325715801 QRCRRRJQSIDVJH-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O)Nc1cccc(Cl)c1 2325716907 BBRRHHKIVXITOZ-UHFFFAOYSA-N 440.282 5.627 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2Cl)cc1OC(=O)CCc1ccccc1C 2325717220 TYOUDGAWLSYHSL-UHFFFAOYSA-N 434.919 6.091 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3cc(OCc4cccc(C)c4)cc(C)c3C1=O)cn2C 2325720815 LZAAQBZANVYBBK-UHFFFAOYSA-N 439.511 5.999 30 10 IKEE O=C(Cc1ccc(Cl)c(Cl)c1)Oc1cccc(C=CC(=O)c2ccc(F)cc2F)c1 2325725921 QWAHBTDDSAJZCX-UHFFFAOYSA-N 447.264 6.316 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OC(=O)c1ccc(F)c(F)c1F 2325737774 YZTPNSLAOFPISS-UHFFFAOYSA-N 426.390 5.536 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2ccc(C)cc2)cc1OC(=O)C(F)(F)F 2325737962 XNCMPZHVLOGILE-UHFFFAOYSA-N 443.215 5.130 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OC(=O)Cc3ccccc3Cl)c2)c1 2325744276 YGAINTQFDLRZOA-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2cccc(OC(=O)[C@H](C)Oc3ccc(Cl)cc3)c2)cc1 2325750703 JCHMIPJBGWDICL-IBGZPJMESA-N 448.946 6.732 30 10 IKEE CCCOc1cccc(C=Nn2c(COc3cc(F)ccc3F)nnc2SCCC)c1 2327498393 ZZSRRIXJJJXFOX-UHFFFAOYSA-N 446.523 5.308 30 10 IKEE CCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc(OC(C)C)c(OC)c1 2329091218 FLMPJNZNBNSURC-UHFFFAOYSA-N 444.988 5.312 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccccc1 2329506709 UJHPXHGQPNHRKY-UHFFFAOYSA-N 447.007 6.200 30 10 IKEE COc1ccccc1C=Nn1c(CCc2cccs2)nnc1SCc1ccc(C)cc1 2329629457 WZTXNSBIPMDEFS-UHFFFAOYSA-N 448.617 5.616 30 10 IKEE Cc1ccsc1C=Nn1c(CCc2cccs2)nnc1SCc1ccccc1F 2329663685 VCKMCIKGGLRPDH-UHFFFAOYSA-N 442.610 5.808 30 10 IKEE C=C(C)CSc1nnc(CC2CCCCC2)n1N=Cc1cc(Br)ccc1O 2330268201 PKCJDTKDKPWBGV-UHFFFAOYSA-N 449.418 5.419 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(Cc3cccs3)n2N=Cc2cccs2)cc1 2330363606 UVPLPBQEFZKOHU-UHFFFAOYSA-N 441.563 5.075 30 10 IKEE Oc1cccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2-c2cccs2)c1 2330621432 LDZNPSKVSWPPBL-UHFFFAOYSA-N 444.944 5.679 30 10 IKEE CC(C)(C)Cc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1ccccc1Cl 2330805475 UQRNXNSUPZCAMX-UHFFFAOYSA-N 441.988 5.133 30 10 IKEE O=[N+]([O-])c1ccccc1C=Nn1c(SCc2cccc(F)c2)nnc1C1CCCC1 2331048334 LYQNJNGTBWIVRO-UHFFFAOYSA-N 425.489 5.158 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3F)cc2)cc1OC 2331084299 RSXZUTXZFUZTFY-UHFFFAOYSA-N 438.426 5.026 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)c1ccc(F)cc1 2331085453 NPIXAELTKVXZOX-UHFFFAOYSA-N 442.389 5.236 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3[N+](=O)[O-])cc2)cc1 2331188501 LKURSNWAIKEVJX-UHFFFAOYSA-N 431.444 5.038 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)CC1CCCCC1 2331251239 KREDZFFBJBIVPB-UHFFFAOYSA-N 447.358 6.774 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)Cc1ccc(OC)cc1 2331326265 QIAZZEHJQWOIEO-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(N(C)C)cc2)c(Cl)c1 2331358676 BNJMTPQNFLWKDN-UHFFFAOYSA-N 449.934 5.838 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC(=O)Cc1ccccc1 2331370273 UWRHUBBFWZOYQN-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccc(C)c(C)c1 2331430501 BNAPZWWOTSDEBJ-UHFFFAOYSA-N 442.555 6.725 30 10 IKEE CCOc1ccc(C=Nn2c(CC(C)C)nnc2SCc2cccc3ccccc23)cc1 2331464319 YKKBEEAPONKSBS-UHFFFAOYSA-N 444.604 6.203 30 10 IKEE Cc1ccc(C)c(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(F)c3)cc2)c1C 2331554886 KALXPALQMMDFRF-UHFFFAOYSA-N 436.454 5.771 30 10 IKEE O=C(CSc1nnc(C2CC2)n1N=Cc1cccc2ccccc12)Nc1ccccc1F 2331723943 UGUQMIKBNVCOCF-UHFFFAOYSA-N 445.523 5.061 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cc(C)ccc3C)cc2)cc1Cl 2331814960 JEPCOANWQPZKPZ-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3)c(OC)c2)cc1Cl 2331835198 ULYYWLGLZXOZRX-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE CCOc1ccc(C=C(C(=O)Nc2c(C#N)nnn2-c2ccc(C)cc2)c2ccccc2)cc1 2332190628 BKCXMBFLONKIML-UHFFFAOYSA-N 449.514 5.025 30 10 IKEE CN(C)c1ccc(/C=N/C(/N=C/c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1 3147429 LKBUGVYXHJDHRT-JUWMQZRYSA-N 427.596 5.121 30 10 IKEE Cc1ccc(/C=N/c2cccc(C3=NN(c4ccccc4)[C@H](c4ccc(F)cc4)C3)c2)cc1 15773293 UWRBXVNLCNZBKJ-CLCCEFQUSA-N 433.530 7.240 30 10 IKEE CC(C)(C)/N=C1\[C@H](N2CCSCC2)C(C)(C)C(=S)N1c1cccc(C(F)(F)F)c1 15861718 VYVNJZHNYZKNOM-LOMYJAPHSA-N 443.604 5.493 30 10 IKEE Cc1sc2nc(SCCCC#N)n(-c3ccccc3)c(=O)c2c1-c1ccc(F)cc1 21128760 MIGCAUOJXTUIRB-UHFFFAOYSA-N 435.549 5.958 30 10 IKEE C=C1C[C@]2(CO)CC[C@@H]3[C@H](CC[C@H]4[C@@]3(C)CC[C@@H]3C(C)(C)C(=O)CC[C@@]34C)[C@H]2[C@@H](C)[C@@H]1C 31542248 SKTKWKQBCTYFMA-IXMYXZATSA-N 440.712 7.061 30 10 IKEE COc1ccc(-n2c(-c3ccccc3)cc3c2CCC/C3=N\OCc2ccc(C)cc2)cc1 34718638 MYUQZFOFORBPRB-KDJFERLWSA-N 436.555 6.719 30 10 IKEE Cc1cccc(/N=C2/S/C(=C\c3ccc(Cl)cc3Cl)C(=O)N2C2CCCCC2)n1 39863657 AOBZRLPHSNRYTD-VJEQAQGUSA-N 446.403 6.634 30 10 IKEE COc1ccccc1-c1c(C#N)c(SCc2ccc(Cl)cc2)nc2c1CN(C)CC2 40569992 MIPPGVNHHZLZMG-UHFFFAOYSA-N 435.980 5.562 30 10 IKEE COc1ccc(CN2COc3cc(C)c4c(c3C2)O/C(=C\c2sccc2C)C4=O)cc1 41650063 IOLKCMMZDXMIND-NHDPSOOVSA-N 433.529 5.342 30 10 IKEE Cc1cc(OCC(=O)N(O)c2ccc(-c3nc(-c4ccccc4)no3)cc2)ccc1Cl 96142816 OZHWMPSWHYRHQJ-UHFFFAOYSA-N 435.867 5.167 30 10 IKEE C=CCn1c(SCc2cccc(C(=O)Nc3ccc(OC)cc3)c2)nnc1-c1ccco1 96288212 YXCQGUJITNLCLR-UHFFFAOYSA-N 446.532 5.277 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1ccc(OCCCC)cc1 100443848 FZZIABZNRGOCDS-UHFFFAOYSA-N 434.690 7.380 30 10 IKEE O=C1C[C@@H](c2ccc(Cl)cc2)CC(NCc2ccccc2)=C1C(=S)Nc1ccccc1 103826029 PWZUEXMFVOEGON-FQEVSTJZSA-N 447.003 6.270 30 10 IKEE C=C(C)[C@@H]1CC[C@@]2(C(=O)O)CC[C@H]3[C@@H](CC[C@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]34C)[C@H]12 142139578 KGUHFCVSCDQVEU-NBABSQFZSA-N 442.684 6.699 30 10 IKEE CCOc1cc(/C=N\n2c(S)nnc2Cc2ccccc2)cc(Cl)c1OCC(C)C 169911670 OOVKANOZPZBLMH-CFRMEGHHSA-N 444.988 5.127 30 10 IKEE CCCCCCCCCOc1ccc([C@@H]2NN=C3C4CCN(CC4)[C@H]32)cc1Br 169940094 DMYCURPCKZGTRM-XZOQPEGZSA-N 448.449 5.673 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1c1ccccc1C 169946184 UMNRZUVHLGIOEA-SANMLTNESA-N 449.506 5.940 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccc(O)cc2)c1 169960657 QKHIJUDFAKGSMU-SANMLTNESA-N 449.506 5.945 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccc(O)cc2)cc1 169963027 LZSUYLXPQFZNJX-DEOSSOPVSA-N 443.499 5.191 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2cccc(C)c2)cc1 169969392 YRPHXKMBTRCDHM-DEOSSOPVSA-N 445.490 5.624 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2cccs2)=C(N2C[C@H](C)O[C@@H](C)C2)C1=O 170017647 SITCQJUPEFMSGB-OALUTQOASA-N 432.630 5.078 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccccc2)cc1 170054464 BKHMLVDKSXIGHP-AREMUKBSSA-N 449.506 5.627 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 170066590 XUPPLRCSUJJYIH-RBBKRZOGSA-N 439.939 5.221 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccc(C)c2)cc1C 170142195 UAZDLFWKQRGFTA-RUZDIDTESA-N 441.527 5.793 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2cccs2)c1 170156685 SQIHAGFHZJWGFK-QHCPKHFHSA-N 425.509 5.993 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1cccs1 170161604 DKUODIXPCRHFKY-QHCPKHFHSA-N 445.584 6.445 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2cccnc2)cc1 170186779 OFCLBOJRMGOFLZ-DEOSSOPVSA-N 436.467 5.026 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccncc2)c1 170209247 MZQXAOVIXVCYOO-NRFANRHFSA-N 440.927 5.045 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccccc2)cc1OC 170225133 GFVYKOKFYMZZEP-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(F)cc2)cc1 170239578 FZFFRSOIZIAKOZ-QHCPKHFHSA-N 431.463 5.397 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccc2F)cc1C 170248035 GOTSFQCPBQHKIS-QHCPKHFHSA-N 449.453 5.373 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)=C(O)C(=O)N1Cc1cccs1 170270010 OJIOHFOWSXGQCO-MWTRTKDXSA-N 445.540 5.158 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2C)cc1C 170271255 MIFMOPCIMVUWHM-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccco2)c1 170280921 ORRJMOXCPSCNOG-DEOSSOPVSA-N 445.515 5.973 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccco1)c1ccc(Cl)c(Cl)c1 170282349 PSKHZPMNPOZJFA-SFHVURJKSA-N 432.234 5.508 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccco2)cc1C(C)C 170282852 GKIYZVUTZAUJLS-XMMPIXPASA-N 445.515 5.893 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccco2)c1 170285032 LUDOPTDHZLHTLP-NRFANRHFSA-N 437.879 5.341 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(C)cc4C)[C@H]3c3ccco3)oc12 170289547 XQVMUSDUDJDWOH-QFIPXVFZSA-N 443.455 5.434 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2ccc(C)o2)cc1C 170304253 KWZYYDVZGZJGAU-HSZRJFAPSA-N 447.487 5.087 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)[C@H]1c1cccc(O)c1)c1cccs1 170387858 WIMLRTNUGKLRBU-SFHVURJKSA-N 445.418 5.255 30 10 IKEE COc1cccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(C(F)(F)F)cc2)c1 170431355 KCUSRMHAZSVXNJ-FQEVSTJZSA-N 433.426 5.229 30 10 IKEE O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1cccs1)c1c([nH]n(-c3ccccc3)c1=O)N2 206668657 SQACQJKZINATSO-SZNDQCEHSA-N 445.569 5.247 30 10 IKEE COCCN1C(=O)/C(=C/c2cccn2-c2ccc(Cl)cc2)SC1=Nc1ccccc1 252591393 BAZHUGCCVDXIAJ-QWKKMKHHSA-N 437.952 5.381 30 10 IKEE CC(=O)C1=C(C[S@@](=O)c2ccccc2)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C 514278518 PHBOXEGOWHYFNO-WHWAEFQFSA-N 436.617 5.432 30 10 IKEE CCc1nnc(SCc2ccc(C(=O)OC)cc2)n1/N=C\c1c(Cl)cccc1Cl 526827901 NIMLFLGXMPXSCY-KSEXSDGBSA-N 449.363 5.108 30 10 IKEE Cc1ccnc(Nc2cc(Nc3ccc(NC(=O)c4cccc(C#N)c4)cc3)nc(C)n2)c1 585451206 YROZSJHLGYYZRC-UHFFFAOYSA-N 435.491 5.100 30 10 IKEE CCCCc1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 586229043 JSKHWUCVEAGPLI-UHFFFAOYSA-N 449.532 5.205 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2ccc(C)cc2)cc1 586232429 DMZWWUBVCYDTDA-UHFFFAOYSA-N 446.616 6.385 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@](C#N)(N(C(=O)OC(C)(C)C)C3CCCC3)CC[C@H]2C1 698889859 GVKKWKXHYRSYAU-HOOSLVGPSA-N 433.593 5.095 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2cccc(Br)c2Cl)c1 706511490 NZFWFUPKFPXIEE-KRWDZBQOSA-N 435.749 6.417 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C1 724081725 SAIDNRVRGUBNSI-UUOWRZLLSA-N 429.561 5.405 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 724090403 QXQXHVZHQDZMPR-OSPHWJPCSA-N 447.551 5.544 30 10 IKEE C=C(CC[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)[C@H]1CC[C@H]1[C@]3(C)CCC(=O)C(C)(C)[C@H]3CC[C@@]12C 1082881188 HKRMRIDUAZDXGO-LOGHNKLJSA-N 440.712 7.754 30 10 IKEE Cc1ccc(Sc2ccc(/C=C3/SC(=Nc4cc(Cl)ccc4C)NC3=O)o2)cc1 1084004183 JOQQCGJHMJGCMW-XDHOZWIPSA-N 440.977 6.593 30 10 IKEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](C)C(C)(C)C1 1705790746 FNXANTIBUKIDPS-KRWDZBQOSA-N 434.588 5.069 30 10 IKEE Cc1cc2c(n1-c1ccc(Cl)cc1)CC(C)(C)CC2=NOC(=O)NC1CCCCC1 1772728562 QHJNLFIEDPDYOQ-UHFFFAOYSA-N 427.976 6.175 30 10 IKEE CN1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=Nc1nc(-c2ccccc2)cs1 1772735895 HNZZOKKGLLUPLT-UTQUROFUSA-N 429.929 5.836 30 10 IKEE CCOc1ccc(/C=C2\SC(=Nc3ccncc3Cl)N(c3ccccc3)C2=O)cc1 1772737206 NYEBAAZDDGJJNN-RNJGGXIZSA-N 435.936 5.942 30 10 IKEE CCc1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=S)Nc2ccccc2)CCC3)cc1 1772751072 GQUAFPWIXQZOKP-UHFFFAOYSA-N 447.560 5.397 30 10 IKEE Cc1ccc(-c2nn(-c3ccc(Cl)cc3)cc2/C=N\NC(=S)Nc2ccccc2)cc1 1857810934 IIBSDRMWXBYHIV-YSMPRRRNSA-N 445.979 5.822 30 10 IKEE C=CCN(CC=C)C(=O)Oc1ccc(CNC(=O)CCCc2ccc(Cl)cc2)cc1 1858872959 CBASDAZPKMBEOD-UHFFFAOYSA-N 426.944 5.152 30 10 IKEE CCc1ccc(-c2cc(C(=O)Nc3ccccc3C#N)nn2-c2cccc(Cl)c2)cc1 1859398246 NIGXZIFFWVOUCE-UHFFFAOYSA-N 426.907 5.879 30 10 IKEE O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 1860727182 FTKZWYKUNFLTIJ-QHHAFSJGSA-N 433.169 5.141 30 10 IKEE O=C(/C=C/c1cccc2ccccc12)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1860727969 PNKASKZAMRAHMV-CMDGGOBGSA-N 437.339 6.098 30 10 IKEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)c1ccc(OCCCCCC)cc1 1861525211 LXCLBUNSYXNZFV-UHFFFAOYSA-N 446.676 6.411 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 1861669422 KWFZMUXCANGLOZ-DVECYGJZSA-N 439.040 5.649 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)c1ccc(C(C)(C)C)cc1 1861810054 MASOGTNRLCHYMT-DEOSSOPVSA-N 430.677 6.530 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862395160 NLLXXUAOHJPHLY-RUZDIDTESA-N 449.591 5.767 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2cccc(C)c2)cc1C 1862400708 KTERMBZDPXZXGJ-RUZDIDTESA-N 441.527 5.399 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)c1 1862402236 UHKKIAICZSLETL-FBJLLXQBSA-N 449.547 5.169 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(Cl)cc1 1862432208 ZAAQQKBNVHPYTR-FQEVSTJZSA-N 432.347 6.152 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)cc1 1862473668 DTWWYYOVXBVNRO-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2ccc(F)cc2F)cc1 1862477732 QEHPGQURMXCPRG-DEOSSOPVSA-N 447.481 5.484 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 1862493889 ABMPUZDOKGXZDG-ZJSXRUAMSA-N 447.575 5.358 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@@H]2c2ccccc2C)cc1 1862533318 LJFDSPUSGZVOAT-AREMUKBSSA-N 439.555 5.687 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862561732 XQLQYKROYQWDKF-RUZDIDTESA-N 446.591 6.083 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(Cl)c(Cl)c1 1862596634 GASUWXCPQISPOE-HXUWFJFHSA-N 448.346 5.858 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc2cc[nH]c2c1 1862597282 YETCBUSFDALKTO-RDPSFJRHSA-N 446.547 5.811 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc2cc[nH]c2c1 1862617272 WNWIHWQQSIEEOL-HSZRJFAPSA-N 430.548 5.844 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C2CC2)cc1 1862623430 NBJSYLFRSHRNBR-DEOSSOPVSA-N 447.575 5.904 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)cc1 1862627067 JHFODNGQOVYJSN-SRDOKRBCSA-N 447.531 5.135 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1862670037 KNXUSRQGKULCOK-HXUWFJFHSA-N 442.899 5.358 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(C)cc2)cc1 1862674790 UBPYJCDUSVHIPG-CJAUYULYSA-N 443.518 6.036 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(N(C)C)cc1 1862677562 CJFZJAYRKHBVCU-OSPHWJPCSA-N 444.506 5.231 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(Br)cc1)c1ccc(F)cc1 1862681368 YSZTULCXLPRXCZ-IBGZPJMESA-N 444.300 5.109 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(OCc2ccccc2C)cc1 1862684662 CBTJXZMQFNIKHP-DEOSSOPVSA-N 445.490 5.311 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(C(C)C)cc1 1862702159 VRVCFIMIHMIOGB-XMMPIXPASA-N 435.564 5.977 30 10 IKEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@H]2c2ccc(O)cc2)cc1 1862732745 KQBLUMXQVLBRHW-QHCPKHFHSA-N 437.536 5.340 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(C(C)C)cc1 1862738897 MDTZBYYIEHRAAV-QFIPXVFZSA-N 436.508 5.343 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccc(F)c1 1862748871 LGIQKRBYNGCITP-NYHFZMIOSA-N 446.434 5.073 30 10 IKEE CCCCCCCCNC1=C(c2ccc(Br)cc2)C(=O)N(CC(C)C)C1=O 1863554616 BTITYDLCXHZPBT-UHFFFAOYSA-N 435.406 5.135 30 10 IKEE N#C[C@@H](c1cccs1)N1CCC(C(=O)N(Cc2ccccc2)Cc2ccccc2)CC1 1867932667 ZYMPTFODCMXUTJ-DEOSSOPVSA-N 429.589 5.254 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N2CCCCCC2)nn1-c1ccccc1Cl 1869997139 XVVVBZQZNXVMCA-UHFFFAOYSA-N 432.012 5.990 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)Nc2c(C)cc(C)cc2C)c(=O)cc1C 1870087323 QOMWCEBRMPTDTI-UHFFFAOYSA-N 440.628 6.240 30 10 IKEE CCCCCCCOc1cn(CCc2ccc(OC)cc2)c(CSC(C)C)cc1=O 1870252080 BYHQSJCABRHVEB-UHFFFAOYSA-N 431.642 6.090 30 10 IKEE C=CCOc1cn(Cc2cccc(C)c2)c(CN2CCC(Cc3ccccc3)CC2)cc1=O 1870385475 ZCSIWDISGZZTIA-UHFFFAOYSA-N 442.603 5.225 30 10 IKEE CCCCCCCOc1cn(CCCN(CC)CC)c(CNc2ccc(C)cc2)cc1=O 1870837565 MMQMNGOKWRAPDV-UHFFFAOYSA-N 441.660 5.850 30 10 IKEE O=C1/C(=C/c2ccc(Cl)c(Cl)c2)Oc2c1ccc1c2CN(C2CCCCC2)CO1 1871346207 OSGUJSDEAMMSEQ-NHDPSOOVSA-N 430.331 6.094 30 10 IKEE CCCCC[C@@H](CC)N1COc2cc(C)c3c(c2C1)O/C(=C\C=C\c1ccccc1)C3=O 1871347521 DXXQAGCMIODBNJ-HXBYJUBOSA-N 431.576 6.678 30 10 IKEE COc1cccc(/C=C2\Oc3c(cc4c(c3C)OCN([C@H]3CCCC[C@H]3C)C4)C2=O)c1OC 1871355964 ORGKQXNMWKEVLL-WGJADDRXSA-N 449.547 5.359 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)CCc4ccc(Cl)cc4)cc(C)c3C2=O)cc1 1871368626 LDRFJZFUQMXJHX-IWIPYMOSSA-N 446.930 6.365 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)CCCOc4ccccc4C)ccc3C2=O)cc1 1871369361 HRGLXJQFBOVHCY-XYGWBWBKSA-N 444.483 5.384 30 10 IKEE Cc1c(OC(=O)c2c(F)cccc2Cl)ccc2c1O/C(=C\c1ccccc1F)C2=O 1871375667 WZUINPBRWQOETQ-ODLFYWEKSA-N 426.802 5.762 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871389229 LRBWIADIRFSKEN-BKUYFWCQSA-N 432.428 5.047 30 10 IKEE Cc1c(OCc2ccccc2C#N)ccc2c1O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 1871437231 NGZWKHZRSXOTFV-JJFYIABZSA-N 436.294 6.369 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCCC(=O)Nc4ccccc4)cc(C)c3C2=O)c1 1871447542 XBGCMAOYGRIILD-HAHDFKILSA-N 429.472 5.027 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc(OCC(=O)Nc3ccccc3Cl)c2C)C1=O 1871455211 GIDTVXQQMIGGJJ-ODLFYWEKSA-N 439.920 5.652 30 10 IKEE Cc1nc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc5ccccc5c4)cs3)cc2nc1C 1872760516 QIWJVDCRBGBFBZ-OAQYLSRUSA-N 434.524 6.013 30 10 IKEE Cc1ccc(C)c(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(Cl)cc3Cl)n2)c1 1872771752 BIUBWBNOAXUTMM-JHTBKMLMSA-N 427.356 6.623 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(Br)c3)n2)c(C)c1C 1872778655 PXSSDNBEBCMEBN-KRWDZBQOSA-N 441.350 5.688 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(Br)c3)n2)c(C)c1C 1872778656 PXSSDNBEBCMEBN-QGZVFWFLSA-N 441.350 5.688 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@@H](C#N)C(=O)COc2c(C)ccc(C)c2C)n1 1872781321 SKLCJSVBDVFQDJ-FQEVSTJZSA-N 434.561 5.616 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(C)c(C)c2)C(=O)N(CCCCCC)C1=O 1873141457 ZNSXZWHEBPAWHK-UHFFFAOYSA-N 440.672 6.694 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(OC)ccc2OC)=C(c2ccccc2)C1=O 1873414935 AMJMXMVBKLYRKI-UHFFFAOYSA-N 436.552 5.256 30 10 IKEE Cc1ccc(COc2ccc(/C=N/n3c(C)nnc3SCc3ccccc3C)cc2)cc1 1873501433 WARYNPZRBBODQS-JVWAILMASA-N 442.588 5.957 30 10 IKEE C=CCn1c(C(=O)Nc2cc(Cl)cc(Cl)c2)cc2c(N(CCC)CCC)ncnc21 1873666193 SNMKSDFNWZANCD-UHFFFAOYSA-N 446.382 5.803 30 10 IKEE CCCCCCCCNC(=O)Cc1c(C)c2cc3c(-c4ccccc4)coc3cc2oc1=O 1873886385 UAGMITJMAWXLAX-UHFFFAOYSA-N 445.559 6.534 30 10 IKEE CC[C@@H](C)c1ccccc1NC(=O)CCc1c(C)c(C#N)c2[nH]c3ccccc3n2c1=O 1873918532 SQABWQYALDWZTI-MRXNPFEDSA-N 426.520 5.046 30 10 IKEE CCCSc1nnc(COc2ccc(OCC)cc2)n1/N=C/c1cn(C)c2ccccc12 1874236772 ZQONDIHGUOIMAD-MFKUBSTISA-N 449.580 5.132 30 10 IKEE CCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccc(OCC)cc1 1874244371 BRRHXYRSKDPCEP-YZSQISJMSA-N 438.641 5.820 30 10 IKEE CCCSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1c(F)cccc1Cl 1874253674 JCRUOSVKUDLIOI-MFKUBSTISA-N 446.979 5.775 30 10 IKEE CCCSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1c(F)cccc1Cl 1874259121 PJENGYYQJSERFM-AFUMVMLFSA-N 446.979 5.986 30 10 IKEE C=CCSc1nnc(COCc2ccccc2)n1/N=C/c1ccc(Cl)cc1Cl 1874355108 PKWOMECNGDKVHW-FSJBWODESA-N 433.364 5.462 30 10 IKEE Cc1ccccc1CSc1nnc(CC2CCCCC2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874406264 LESCZPXDFWEMFV-PCLIKHOPSA-N 449.580 5.792 30 10 IKEE C=C(C)CSc1nnc(Cc2ccccc2)n1/N=C/c1ccc(OCCCCC)cc1 1874417676 NEJCXENKQHWMKY-NLRVBDNBSA-N 434.609 5.988 30 10 IKEE COc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccc(F)cc2)c1OC 1874436744 AJGSWKVZBQTUQI-AFUMVMLFSA-N 442.560 5.198 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2[C@H]2CCCO2)cc1 1874445389 DFDAXXQMLSXKHC-BHSKHCGUSA-N 436.581 5.320 30 10 IKEE Fc1ccccc1/C=N/n1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccco1 1874468048 OXCREQOINZWULS-BHGWPJFGSA-N 447.322 6.159 30 10 IKEE Fc1ccccc1/C=N/n1c(SCc2c(F)cccc2Cl)nnc1-c1ccco1 1874468852 AJEYTVAXYDIJKL-BHGWPJFGSA-N 430.867 5.644 30 10 IKEE CC(C)Cc1nnc(SCc2ccccc2)n1/N=C/c1cc(Br)ccc1F 1874489893 PULCIWMJKYKJQK-FSJBWODESA-N 447.377 5.553 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(OC)cc1OC 1874509644 NPBUHJQROWYNOV-WYMPLXKRSA-N 448.951 5.215 30 10 IKEE CC(C)c1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(C(C)(C)C)cc1 1874515392 WBPMHANPDLQNOE-OGLMXYFKSA-N 442.632 7.027 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1cccc(F)c1)c1cccc(Br)c1 1874575844 JPIQYWKLLSNEEB-VQHVLOKHSA-N 445.715 6.717 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2cccc(Cl)c2)c1OCc1ccccc1C 1874577352 JVVFVNCUOLRGQG-ZHACJKMWSA-N 427.327 6.786 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1OCc1cccc(C)c1 1874593017 NNHXADAQHRJYFX-GZTJUZNOSA-N 434.535 7.146 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3ccccc3C)c2)cc1C 1874593350 FPOYGERQYMEQSH-FMIVXFBMSA-N 445.515 5.234 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1 1874601846 GHOXCJIZHTWZIL-SDNWHVSQSA-N 430.460 5.125 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(OC)c2)cc1 1874604582 VNYZMYOFNMRIBY-FMIVXFBMSA-N 441.354 7.040 30 10 IKEE CCCOc1c(Br)cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1OC 1874622732 SDOCWLPSXKSJDK-KPKJPENVSA-N 431.370 6.440 30 10 IKEE COc1cccc(C(=O)/C=C/c2cccc(OC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)c2)c1 1874694997 GDYZLSRGLKGQBA-PRDNPTHXSA-N 444.527 6.088 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(OC(=O)CC)c(OC)cc2Br)cc1 1874695602 JYVOFPXQTOUFKL-OUKQBFOZSA-N 445.353 6.012 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cccc(OC(=O)c3cccc(C)c3)c2)c1 1874713225 MDEYZAKKBLTTQB-WYMLVPIESA-N 430.500 5.908 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(C)c(C)c3)c2)c(OC)c1 1874714494 YUEYXHPUCULSMV-JLHYYAGUSA-N 430.500 5.365 30 10 IKEE COc1cccc(C(=O)Oc2cccc(/C=C/C(=O)c3cc(C)c(Cl)cc3OC)c2)c1 1874715365 PXIHYTUOMFANKV-ZHACJKMWSA-N 436.891 5.781 30 10 IKEE C[C@H](C(=O)Oc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-])c1ccccc1 1875088709 ZZWUKSBOQVUUIG-TYZQSYOASA-N 446.415 5.108 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(OC)c3)c([N+](=O)[O-])c2)cc1 1875100892 MSVOYTQMPJNQLW-UKTHLTGXSA-N 431.444 5.281 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc(C)cc(C)c3)c([N+](=O)[O-])c2)cc1 1875100971 OPIIIFVLLLBVNM-YRNVUSSQSA-N 429.472 5.889 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)Cc1ccccc1 1875122723 JHOJOFIQYJQUQH-KPKJPENVSA-N 441.310 6.046 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)COC)c(Cl)c2)cc1OCCC 1875123851 HJLNRWRLRSABGC-RMKNXTFCSA-N 446.927 5.366 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 1875130520 TZXYGBVOFRZMDS-WLRTZDKTSA-N 449.434 5.177 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3ccc(Cl)cc3)cc2)cc1 1875132232 LWZAOPWKDUSBIL-CAOOACKPSA-N 434.919 6.309 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3)c(Cl)c2)cc1 1875148263 JKOWTHKEZHNZJF-OQLLNIDSSA-N 432.947 6.682 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)c1cccc(C)c1 1875159564 GHGWCZBQVXKKHC-KPKJPENVSA-N 438.882 6.302 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1 1875165610 QDCAGLZCYRXHET-FYJGNVAPSA-N 448.518 6.913 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C)cc(C)c3OC)cc2OC)cc1 1875171649 HCGLNIQWWZYRNU-WUXMJOGZSA-N 446.499 5.445 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1 1875182691 PYGNOABPMYPVOJ-NTCAYCPXSA-N 444.527 5.891 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2cc3ccccc3n2C)cc1 1875192839 FVDVEUFPJPFDRY-UKTHLTGXSA-N 445.902 5.956 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)ccc1OC(=O)c1ccccc1C 1875193969 HUTYJRYBTMONCB-DHZHZOJOSA-N 436.891 5.781 30 10 IKEE CCC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 1944858076 BKQCGHVVJJPCTG-UUOWRZLLSA-N 435.609 5.486 30 10 IKEE C#CCC1(NC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](C)CC)CCC1 1984779077 OWKVSELMIWVISV-CLOONOSVSA-N 444.575 5.002 30 10 IKEE CC(C)(C)c1ccc(C#N)c(NCCNC(=O)OCC2c3ccccc3-c3ccccc32)n1 1989467374 JLBZVECEKSBVAD-UHFFFAOYSA-N 440.547 5.201 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@@]12CC[C@H]1CN(C(=O)OC(C)(C)C)C2)NCCC 2026367955 YLPYHOVAFCNZQN-JCYRPKCISA-N 428.617 5.165 30 10 IKEE Cc1c(C=Cc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)nnc(O)c1C#N 2040480377 OLQZWTLLEZLCBZ-UHFFFAOYSA-N 449.510 5.691 30 10 IKEE CC[C@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(C)cc2)CN1C(=O)OC(C)(C)C 2040670587 JSUUVENMPKMIFH-DFBJGRDBSA-N 443.588 5.808 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2046019296 NGVKMMMPOLTLRU-KHVVASAOSA-N 447.620 5.532 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)CCC12CCC2 2057367957 WIQIHVBOBOQFLO-VWLOTQADSA-N 441.572 5.644 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)[C@@H]2CC[C@H]21 2057587258 VONGSPDVQJHEDC-KHCICDEESA-N 445.535 5.249 30 10 IKEE O/N=C/c1c(C(F)(F)F)nn([C@@H](c2ccc(C3CC3)cc2)C2CCC2)c1Br 2079073324 GMVYKEFFFGFGIW-ACAPYZNFSA-N 442.279 5.739 30 10 IKEE Cc1nn([C@@H](c2ccc(C(F)(F)F)cc2)C2CCC2)c(I)c1C#N 2080031283 ZWEBEIQVSSRRSO-OAHLLOKOSA-N 445.226 5.076 30 10 IKEE Fc1ccc(-c2c(C3CCC3)nn(C(F)(F)F)c2Br)cc1C(F)(F)F 2080828084 CJMYZWZPZPUPEJ-UHFFFAOYSA-N 431.149 6.214 30 10 IKEE Nc1c2c(nc3c(-c4c(F)cccc4C(F)(F)F)c(C(F)(F)F)nn13)CCCCC2 2081508972 JMBWNRRFQDTXOG-UHFFFAOYSA-N 432.343 5.424 30 10 IKEE COC(=O)c1cnc2c(-c3ccc(F)cc3C(F)(F)F)c(C(F)(F)F)nn2c1Cl 2081513506 CRKCSTNPMNORPH-UHFFFAOYSA-N 441.690 5.013 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(CC2CC2)C(=O)OC(C)(C)C)C12CCCCC2 2083810084 BZIVAKITKBGRIV-VWLOTQADSA-N 447.620 5.630 30 10 IKEE C=CCC[C@@H](C)[C@H](NCCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2102110312 FHTVOJXLENYNBN-BEFAXECRSA-N 425.411 6.439 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1ncoc1C(C)(C)C 2178418240 NHCCNAONOHQBOZ-HNNXBMFYSA-N 434.334 5.741 30 10 IKEE COc1cc(Nc2ccc(Br)cc2C#N)ccc1CNC(=O)OC(C)(C)C 2192916823 BQEGHTCZOWWTSV-UHFFFAOYSA-N 432.318 5.098 30 10 IKEE CCCC#C[C@@H](NCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2225462059 UYWWNDQZEXWMME-GGXMVOPNSA-N 443.587 5.660 30 10 IKEE CC=CC[C@H](NC(=O)OC(C)(C)C)[C@H](C#Cc1ccccc1Br)NCCC 2235747037 MXHSOYMTEGJPAU-PMACEKPBSA-N 435.406 5.028 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)cc(C(C)C)c1 2280707945 FIYPXRBRGPSIEE-WOJBJXKFSA-N 439.438 6.083 30 10 IKEE CC(C)(C)OC(=O)COc1ccc2c(c1)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2296871428 XEIYIHOFFOFZDR-UHFFFAOYSA-N 428.484 5.690 30 10 IKEE C=CCC(CC=C)[C@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 2301037773 STUVAMWUMFCPGJ-RPWUZVMVSA-N 430.633 5.623 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2302804744 XFADTVMRGLOBQL-ZCNNSNEGSA-N 429.561 5.404 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1 2314429514 IVPOSNCVRGTHPJ-UHFFFAOYSA-N 434.491 6.478 30 10 IKEE C=CCN1C(=O)C(=Cc2cccc(Br)c2)SC1=Nc1cccnc1Cl 2314540080 IKYSWLRUYJQLGO-UHFFFAOYSA-N 434.746 5.288 30 10 IKEE COc1c(Cl)cc(C=Nn2c(C)nnc2SCc2ccc(Cl)cc2)cc1Cl 2318574287 JLWNAZHYWUCNGC-UHFFFAOYSA-N 441.771 5.730 30 10 IKEE Cc1c(OCc2cccc(Cl)c2)ccc2c1OC(=Cc1c(F)cccc1Cl)C2=O 2321764110 LQZUDPSOJSGRSO-UHFFFAOYSA-N 429.274 6.636 30 10 IKEE C=Cc1ccc(COc2ccc3c(c2C)OC(=Cc2ccccc2Br)C3=O)cc1 2321875993 COGMPYMMCCWUAO-UHFFFAOYSA-N 447.328 6.596 30 10 IKEE CC(C)OCCCN1COc2ccc3c(c2C1)OC(=Cc1c(Cl)cccc1Cl)C3=O 2322019775 OBHKVUFWWBNCQX-UHFFFAOYSA-N 448.346 5.577 30 10 IKEE CCCCC[C@@H](CC)N1COc2ccc3c(c2C1)OC(=Cc1ccc([N+](=O)[O-])cc1)C3=O 2322071916 FFYXTIPVWQPKAH-GOSISDBHSA-N 436.508 5.722 30 10 IKEE CCCCCCN1COc2ccc3c(c2C1)OC(=Cc1ccc(N(CC)CC)cc1)C3=O 2322083276 YACJYQZWIFZOLW-UHFFFAOYSA-N 434.580 5.881 30 10 IKEE Cc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccc3c(c2)OCO3)C4)cc1 2322099185 XSRNUNWKKCSGRY-UHFFFAOYSA-N 441.483 5.000 30 10 IKEE C[C@H]1CCCC[C@H]1N1COc2ccc3c(c2C1)OC(=Cc1ccc(Cl)c(Cl)c1)C3=O 2322145979 HXKQTUOSBTUCJS-VBKZILBWSA-N 444.358 6.340 30 10 IKEE CCCCCCCCCCN1COc2c(cc3c(c2C)OC(=Cc2cccc(C)c2)C3=O)C1 2322391167 YTICZMVSQGCZOW-UHFFFAOYSA-N 447.619 7.212 30 10 IKEE N#Cc1cnn(-c2ccc3ccccc3n2)c1NC(=O)C(=Cc1ccccc1)c1ccccc1 2322545659 JBASZGGOGFREMX-UHFFFAOYSA-N 441.494 5.471 30 10 IKEE O=c1c(Br)c(NN=C[C@@H]2CC=CCC2)cnn1-c1ccc(Cl)c(Cl)c1 2322667041 GYYTZKIJBKIPOU-LLVKDONJSA-N 442.144 5.056 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(F)c(F)c2)c1OCc1ccccc1F 2322781530 FEKOAJXLFZTDFN-UHFFFAOYSA-N 432.825 6.241 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccccc4[N+](=O)[O-])c3C)C2=O)cc1 2323154021 MFDIDCNXWRJTTO-UHFFFAOYSA-N 429.428 5.301 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCc3c(Cl)cccc3Cl)c2)c(C)c1C 2323248027 SNDWYLWCSFEXJM-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc([N+](=O)[O-])c(C)c4)c3C)C2=O)cc1 2323279546 YEHSPSJUBNXTRK-UHFFFAOYSA-N 445.427 5.056 30 10 IKEE Cc1cc(OC(=O)CC2CCCCC2)cc2c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O2 2323486070 FCHRGKZWIUGHKI-UHFFFAOYSA-N 432.560 6.785 30 10 IKEE CCOc1cc(C=Nn2c(SC)nnc2C(C)C)ccc1OCc1ccccc1Cl 2323580178 DPOSGUKCFJFCON-UHFFFAOYSA-N 444.988 5.637 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)ccc1OCC(=O)Nc1cc(C)cc(C)c1 2323627208 WNXKVIBKDLTSFQ-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2)c(Br)c1)c1ccc(F)cc1F 2323720983 AOCCOQHKQUJTHX-UHFFFAOYSA-N 429.260 6.202 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3cccc4ccccc34)c(OC)c2)cc1F 2324123920 HZPHXJRRINESOA-UHFFFAOYSA-N 442.486 6.471 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OC)c(Br)c2)cc1 2324209669 GQJDZVZPXNPAGT-UHFFFAOYSA-N 431.370 6.703 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Cl)c1OCc1cccc(C)c1 2324234620 DGMRFBQCCXZGMB-UHFFFAOYSA-N 428.862 6.410 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)c(C)c1C 2324304911 UKMCNGNBJKPTEK-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE CCOc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccccc3OC)cs2)cc1OC 2324455787 YCGQNXHPRBNEJG-SFHVURJKSA-N 434.517 5.116 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OCCOc4ccc(C)cc4)ccc3C2=O)cc1 2324538627 XEAUQXISBTVYFO-UHFFFAOYSA-N 443.543 5.915 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OCCc1ccccc1 2324561063 KQENESIHOILVHR-UHFFFAOYSA-N 448.990 7.182 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1C 2324627182 DOFXGYASNXSWES-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE CCCCCCOC(=O)COc1cc(C)c2c(c1)OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2325031043 FPJKAGQRZXHAGT-UHFFFAOYSA-N 439.464 5.022 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(C(C)C)cc2)cc2c1C(=O)C(=Cc1ccccc1)O2 2325318433 JBKUAEDNVIOWAZ-UHFFFAOYSA-N 427.500 5.752 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1cccc(OC)c1OC 2325528818 NHXXTSWEDLSLRN-UHFFFAOYSA-N 438.597 5.429 30 10 IKEE O=C(C=Cc1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1 2325669492 GFTPPIABRRPFLT-UHFFFAOYSA-N 449.506 6.279 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(C)c(C)c3)c2)cc1 2325710529 OWVBMMLVJQJIBB-UHFFFAOYSA-N 442.555 6.770 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2cccc(Cl)c2)c1)c1ccc(Br)cc1 2325716635 QRLHZFPXIYBBAS-UHFFFAOYSA-N 441.708 6.218 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Br)c2)cc1OC(=O)c1ccccc1 2325720099 KCZBVQMXHJEGLY-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE COc1cc(C=C2Oc3cc(OCc4cccc(C)c4)cc(C)c3C2=O)cc(OC)c1OC 2325720712 UQHAKUILFUBZFL-UHFFFAOYSA-N 446.499 5.524 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccccc3C(C)C)cc(C)c2C1=O 2325726714 VCUNUWRICLKEKM-UHFFFAOYSA-N 441.527 6.061 30 10 IKEE Cc1cc(C)c(NC(=O)COc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)c(C)c1 2325736656 KIGXTRCGUFXWLR-UHFFFAOYSA-N 439.511 5.802 30 10 IKEE COc1ccc(C=C2Oc3cc(OCC(=O)Nc4cccc(C)c4C)cc(C)c3C2=O)cc1 2325737937 QLULCJVDKPODFU-UHFFFAOYSA-N 443.499 5.254 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(-n4cccc4)cc3)c2)cc1 2325746430 QUOLEHPBQSTOGU-UHFFFAOYSA-N 449.550 6.890 30 10 IKEE O=C(Cc1ccc(Cl)cc1)Oc1cccc(C=CC(=O)c2cccc3ccccc23)c1 2325749801 RBISPSJTDKYTEV-UHFFFAOYSA-N 426.899 6.537 30 10 IKEE COc1cccc(CCC(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c(C)c3C)c2)c1 2325755692 CTKDPVDIUFFBGA-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2cccc(OC(=O)c3sccc3C)c2)cc1Cl 2325766929 PDKZFRCVDLFVQI-UHFFFAOYSA-N 447.339 6.487 30 10 IKEE CCCCOc1cccc(C=Nn2c(CCCC)nnc2SCc2ccc(C)cc2)c1 2326306472 WWFDIVYOEQHLAU-UHFFFAOYSA-N 436.625 6.283 30 10 IKEE CCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1cn(CC)c2ccccc12 2326326431 DSSDEJWJLQDAIX-UHFFFAOYSA-N 445.636 6.287 30 10 IKEE CCCCCCOc1ccccc1C(=O)C=Nn1cnnc1SCc1cccc(C)c1 2326370210 BRMQUSJZGJJSSV-UHFFFAOYSA-N 436.581 5.555 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1c(O)ccc2ccccc12 2326414519 YBKAIZFRRYOVTO-UHFFFAOYSA-N 430.577 5.881 30 10 IKEE CCCOc1ccc(C=Nn2c(CC)nnc2SCc2cccc(Cl)c2)cc1OC 2326467931 WIFWUGNREPMCAX-UHFFFAOYSA-N 444.988 5.466 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccc(C(C)C)cc1 2327552072 OQWPWWILWFGOTB-UHFFFAOYSA-N 441.000 6.184 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccccc3)n2N=Cc2ccccc2C)CC1 2328160453 FFDYNFGBFSWORQ-UHFFFAOYSA-N 446.664 7.225 30 10 IKEE C=CCSc1nnc(CCc2ccccc2OC)n1N=Cc1cccc(OCCC)c1 2328699546 HFIXRIBIZCYFDS-UHFFFAOYSA-N 436.581 5.021 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2)n1N=Cc1ccc(F)cc1 2329486364 NLLLAOXMZYOJNC-UHFFFAOYSA-N 430.552 5.685 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccc3Cl)n2N=Cc2ccc[nH]2)cc1 2329552047 BDQJELAGAOFHTJ-UHFFFAOYSA-N 438.900 5.009 30 10 IKEE Cc1ccsc1C=Nn1c(CC2CCCCC2)nnc1SCc1ccc(F)cc1 2330233026 GYKLUFLTVKNXSN-UHFFFAOYSA-N 428.602 6.084 30 10 IKEE Fc1cccc(CSc2nnc(CC3CCCCC3)n2N=Cc2ccc(Cl)cc2)c1 2330251765 SQWBHYXGHFLHDI-UHFFFAOYSA-N 442.991 6.368 30 10 IKEE C=C(C)CSc1nnc(Cc2cccs2)n1N=Cc1ccc(Br)cc1 2330376778 KJZPGDDOEUCPMB-UHFFFAOYSA-N 433.400 5.243 30 10 IKEE COC(=O)c1ccc(C=Nn2c(SCc3ccccc3C)nnc2-c2cccs2)cc1 2330537591 DKRSYWATRKBHRM-UHFFFAOYSA-N 448.573 5.276 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccccc3)n2N=Cc2cc(Cl)ccc2O)c1 2330674703 MJYGEJVWXJBNPA-UHFFFAOYSA-N 448.979 6.095 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(-c2ccccc2)n1N=Cc1ccco1 2330680284 VSNCKAYIKWIMOB-UHFFFAOYSA-N 429.332 6.019 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)cc(Cl)c1OC(=O)[C@@H]1CCCO1 2330752588 VLTUDJQPUDAFAK-NRFANRHFSA-N 428.912 5.282 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(CC)cc3)c(Cl)c2)cc1 2330832840 AIAOIHCMBWGWCE-UHFFFAOYSA-N 446.974 7.360 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3c(F)cccc3Cl)c(Cl)c2)cc1 2330961710 XRMDVCRDOZKRDC-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE C=CCSc1nnc([C@@H]2CCCO2)n1N=Cc1ccc(OCCCCC)c(OCC)c1 2330974677 FZFNAICBOWXOEE-FQEVSTJZSA-N 444.601 5.258 30 10 IKEE Cc1cccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2[C@@H]2CCCO2)c1 2331001059 SHNIYZJMJIYWBB-IBGZPJMESA-N 447.391 5.919 30 10 IKEE CCCCCCC(=O)Oc1c(OC)cc(C=CC(=O)c2ccccc2OC)cc1OC 2331057016 KJAWOGJRDURMAW-UHFFFAOYSA-N 426.509 5.484 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)c1ccc(C)c([N+](=O)[O-])c1 2331081495 QNOUEONRUCRZRV-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cc(Cl)ccc3Cl)cc2)c(C)c1 2331215894 OMZRKPAMNGYIPL-UHFFFAOYSA-N 439.338 6.654 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 2331344578 XPLDQOYPRCUWSN-UHFFFAOYSA-N 449.434 5.556 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC(=O)Cc1ccccc1F 2331370290 WIBQSNPGXPGJHT-UHFFFAOYSA-N 448.490 5.586 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C(c2ccccc2)c2ccccc2)cc1)c1ccc(F)cc1 2331512973 SMVSGIOINGAWRS-UHFFFAOYSA-N 436.482 6.459 30 10 IKEE Brc1ccc(C=Nn2c(SCc3ccccc3)nnc2C2CCC2)cc1 2331519864 ZEQRBPSLPZYLJZ-UHFFFAOYSA-N 427.371 5.483 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)c2cccnc2)c(Cl)c1 2331547956 YSUOLWCQEGYKMU-UHFFFAOYSA-N 449.934 6.156 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)CCc2ccccc2)c(Cl)c1 2331662099 ZPFAWONQHUEWNR-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)Cc1ccc(F)cc1 2331708716 ODLMDDGNNXJBOW-UHFFFAOYSA-N 432.491 5.885 30 10 IKEE Cc1ccc(CSc2nnc(C3CC3)n2N=Cc2cc(Br)ccc2F)cc1 2331717299 TWXVJGSGFGZPGF-UHFFFAOYSA-N 445.361 5.540 30 10 IKEE CO[C@@H](C#C[C@H](N)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1)C1CCCC1 2369630779 CJCMQSLRXBBZRP-HKUYNNGSSA-N 437.378 5.005 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H](Nc2cc(Br)cc(C#N)c2)[C@H]1C(F)(F)F 2370155461 CPQRXLDURZZFHF-CABCVRRESA-N 448.283 5.063 30 10 IKEE CC(C)COc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OC(C)C)cc2)C3)cc1 21244145 BSJZOQBGELPFNG-QPPBQGQZSA-N 447.575 5.513 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2Br)cc1)c1ccc(Cl)cc1 32620226 ZHTKCOCQAKXOAD-VGOFMYFVSA-N 441.708 6.218 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O)c1ccccc1Br 33812399 VECFQTAIJYUOGP-JAIQZWGSSA-N 439.236 5.424 30 10 IKEE C=C(C)C(=O)NCCCc1nc2ccccc2n1CCCCOc1ccc([C@@H](C)CC)cc1 35144763 SXKYVRNJUJQADG-QFIPXVFZSA-N 447.623 6.034 30 10 IKEE C=CCN1C(=O)/C(=C(\C)c2ccc(Br)cc2)S/C1=N/c1ccncc1Cl 39864475 KWOANUDHWSAFDV-OHCPYUMFSA-N 448.773 5.678 30 10 IKEE COc1ccccc1NC(=O)CSc1nc2ccc(/N=C/c3ccccc3O)cc2s1 59507261 GMMUHMOIRZTXOP-ZMOGYAJESA-N 449.557 5.492 30 10 IKEE COc1ccc(-n2c(-c3ccc(F)cc3)cc(/C(C)=N/OCc3ccccc3F)c2C)cc1 97632273 WDDZGOCDIUHQSF-UXHLAJHPSA-N 446.497 6.680 30 10 IKEE CCCCCCCOc1cccc(NC(=O)CNc2ccc(OC[C@@H]3CCCO3)cc2)c1 100078471 MCZONACHEDBCPR-VWLOTQADSA-N 440.584 5.644 30 10 IKEE CCCCCCCOc1ccccc1[C@@]1(C)Nc2ccccc2C(=O)N1Cc1ccccc1 100140072 RBUUQXRXNUHANT-LJAQVGFWSA-N 442.603 6.977 30 10 IKEE CCCCCCCOc1cccc(NCC(C)(C)CCCOc2cc(C)ccc2C)c1 100152696 ALKGWSLSIULLDK-UHFFFAOYSA-N 425.657 7.950 30 10 IKEE C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)Oc1ccccc1OC(=O)[C@]13CC[C@@H](C1)C(C)(C)C3=C)C2 100937569 ZGVFEOXOLGRANH-LNYGVPGBSA-N 434.576 6.262 30 10 IKEE Cc1nc(N2C(=O)C(=O)/C(=C(\O)c3ccccc3)[C@@H]2c2ccc(C(C)(C)C)cc2)sc1C 103223728 XFPDXDFVYXJGAY-AGGMBTAESA-N 446.572 5.684 30 10 IKEE CCCN1C(=S)N[C@H](c2ccc(Br)cc2)C(C(=O)c2ccccc2)=C1C 169928631 UCULKTLCWMKVPZ-LJQANCHMSA-N 429.383 5.247 30 10 IKEE CN1C(=S)N[C@H](c2cccc(OCc3ccc(Cl)cc3Cl)c2)C2=C1CCCC2=O 169936831 ZTIIMLKXBUYJPR-OAQYLSRUSA-N 447.387 5.441 30 10 IKEE Clc1ccc(-c2csc(N/N=C\c3ccc(OCCCc4ccccc4)cc3)n2)cc1 169940183 HETORBMZLAUWPQ-PKAZHMFMSA-N 447.991 6.921 30 10 IKEE COc1ccc(-c2csc(N/N=C\c3ccc(OC)c(OC(C)C)c3)n2)c(OC)c1 169943107 AMXNQHOKUMVBTB-FMCGGJTJSA-N 427.526 5.069 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2cccs2)cc1C 169983119 SGHAJCMSGLKPKL-QHCPKHFHSA-N 447.556 5.971 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(O)c(Cl)c1)c1ccc(Cl)cc1 170042187 PJUAZLIFDMJADB-FQEVSTJZSA-N 446.330 5.610 30 10 IKEE CCN(Cc1ccccc1)C1=C(c2ccc(Cl)cc2)C(=O)N(c2ccc(C#N)cc2)C1=O 170072615 KIWRUPAMEFGIFQ-UHFFFAOYSA-N 441.918 5.018 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2C2CCCC2)cc1 170117124 PDHWZORLZOGWSC-XMMPIXPASA-N 449.547 5.312 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1cccc(C)c1 170140512 FQNWJRSHTOINPC-QHCPKHFHSA-N 445.490 5.542 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccc(C)c2)ccc1Cl 170141935 IHNNRCHOXPQKEY-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1cccc(C)c1 170142135 ASFLARGRYWKOCE-XMMPIXPASA-N 427.500 5.403 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@H]1c1cccc(OC(C)C)c1 170153462 PGXZOLUSATXIKA-OAQYLSRUSA-N 443.927 5.124 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccs2)cc1C 170155893 KUCMGOWZJTYFKG-OAQYLSRUSA-N 437.492 5.377 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2cccs2)cc1 170156223 JPVJBTKVSAUSOO-HSZRJFAPSA-N 447.556 5.937 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2cccs2)cc1C 170158525 HXKHOZXTRFXAEW-QHCPKHFHSA-N 447.556 5.855 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccccn2)c(C)c1 170175580 PAQQRBFHEGCBNC-XMMPIXPASA-N 442.515 5.269 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccnc2)cc1 170184911 SMHFMHODSSTSHW-QHCPKHFHSA-N 446.478 5.038 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccncc2)c1 170200301 TYVITVWAVPIBRX-XMMPIXPASA-N 442.515 5.269 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@@H]1c1ccc(C(C)C)cc1 170245404 AJNDMXNCVQRPCR-NRFANRHFSA-N 427.928 5.460 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@@H]1c1ccc(Cl)c(Cl)c1 170246701 RHHXRYORPSUWFR-FQEVSTJZSA-N 448.346 5.607 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccco2)ccc1Cl 170290022 BDBSVFOSFXTZGU-OAQYLSRUSA-N 437.879 5.423 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2c2ccccc2)o1 170302912 YIKKITQZMOXKFU-XMMPIXPASA-N 445.515 5.714 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccc(C)o2)c1 170305406 HFYACNKHYOREEY-HSZRJFAPSA-N 431.488 5.468 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)C(C)C)=C(O)C(=O)N2Cc2cc(C)ccc2C)cc1 170455097 LXZRJRIUJJJISW-DEOSSOPVSA-N 434.580 5.270 30 10 IKEE CCCCCCCCCCCCCCCC(=O)Nc1cc2ccccc2c2ccccc12 207684188 WPAZWKICIZVCIR-UHFFFAOYSA-N 431.664 9.413 30 10 IKEE COc1cc(C=Nc2cc(Cl)cc(Cl)c2)ccc1OC(=O)/C=C\c1cccs1 254396249 METCRWHMOQWPOI-DFOAPOJSSA-N 432.328 6.433 30 10 IKEE Cc1ccc(NC(=S)NN=Cc2cn(CCCOc3ccccc3)c3ccccc23)cc1 254449398 PGQYILAPUPAZOQ-UHFFFAOYSA-N 442.588 5.739 30 10 IKEE CCOc1cccc(C=Nc2ccc(NC(=O)c3cc4ccccc4o3)c(OC)c2)c1O 254600668 HDBPMOSKKYGPNZ-UHFFFAOYSA-N 430.460 5.549 30 10 IKEE CCSc1nnc(C(F)F)n1N=Cc1ccc(COc2ccc(Cl)cc2Cl)o1 254754178 ZSOXWGWUIHTWGR-UHFFFAOYSA-N 447.294 5.689 30 10 IKEE COc1ccc([C@@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1Cl 526521065 KOPNOBHUKMQFDO-HSZRJFAPSA-N 430.891 5.586 30 10 IKEE CCN(CC)c1ccc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526605704 DWYYFWLHZVYNOL-QHCPKHFHSA-N 429.545 5.523 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2ccc(F)cc2)[C@H]1c1cccc(Cl)c1Cl 526605955 AFAODMZOPWNMAB-OAQYLSRUSA-N 439.273 6.061 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)c(F)c2)cc1 526709711 WIPNBEOKVNEARR-QHCPKHFHSA-N 447.481 6.045 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1cn(CC)c2ccccc12 526811545 NFNLBIYXJMEHSD-YSMPRRRNSA-N 431.609 5.997 30 10 IKEE Fc1cc(C(F)(F)F)cc(C(F)(F)F)c1[C@H](CCC(F)(F)F)N1CCNCC1 575287827 NHOAHLCQSYCEGX-LBPRGKRZSA-N 426.298 5.152 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(CCCC#N)c2ccc(C(=O)O)cc2)cc1 586232183 CEICQFTWTBSENM-UHFFFAOYSA-N 428.554 5.007 30 10 IKEE C=C(C)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586242852 BYCPVLMOOVWDOU-UHFFFAOYSA-N 435.170 5.527 30 10 IKEE N#CCCCN(c1ccc(N2CCCC2)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586243768 VGJIUCDLAIEDKT-UHFFFAOYSA-N 438.380 5.093 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)CC(C)(C)NC(=O)OC(C)(C)C)c1 698447459 ZCSGAGGVGMWWFC-QGZVFWFLSA-N 433.549 5.022 30 10 IKEE COc1cccc(C(CSc2nc3ccccc3o2)=NNc2ccc([N+](=O)[O-])cc2)c1 1083915736 UBDVRQYSORDJPJ-UHFFFAOYSA-N 434.477 5.353 30 10 IKEE COc1ccc(-c2ccccc2)cc1N/C(=N/Cc1ccc(CN)cc1)N1CCCCC1 1088684372 RSBIWGCACYGAQP-UHFFFAOYSA-N 428.580 5.275 30 10 IKEE C[C@@H]1C/C(=N/c2ccc(F)cc2)c2cc(F)ccc2N1C(=O)c1ccc(Cl)c(Cl)c1 1615950174 RSQMLOWKHGNMKJ-AODVPYLJSA-N 445.296 6.831 30 10 IKEE C=CCC[C@@H](NC(=O)c1ccc(-n2c(C)cnc2O)cc1)c1ccc(C(F)(F)F)cc1 1623620886 VKVTYPZNPSSLSW-HXUWFJFHSA-N 429.442 5.342 30 10 IKEE O=C1/C(=C\c2cccc(Br)c2)SC(=Nc2ccccn2)N1c1ccccc1 1772730898 FKETUZOXUNYQAB-UQIYEGRLSA-N 436.334 5.653 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CCC(C)C)cc1 1862385397 OIPIDRWIDIUOAX-OAQYLSRUSA-N 446.374 6.180 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@H]2c2ccccc2)cc1 1862429700 SUNBGXNVSPTVJR-BXKMTCNYSA-N 445.946 6.242 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862450505 JFJSFNNEPZWPJL-ZMZPIMSZSA-N 438.738 6.024 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@@H]2c2ccccc2C)cc1 1862475366 KCFXXTFVTFRVPX-HSZRJFAPSA-N 431.919 5.735 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCc2ccccc2)cc1 1862476380 JVYXYSSYHYYDRL-RUZDIDTESA-N 441.527 5.215 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2ccc(C(C)C)cc2)cc1 1862477712 PKKQLYKZJUKXON-DEOSSOPVSA-N 445.584 6.001 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 1862478469 IBRMJPJTKNPZEA-HXOBKFHXSA-N 442.471 5.243 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1O 1862480734 NGEHEMBKCUJZOY-OSPHWJPCSA-N 443.499 5.049 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2cccc(F)c2)cc1 1862501558 FROFBUMQYQITFL-HSZRJFAPSA-N 433.454 5.360 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862501655 HSCKKFFWHWNYTP-QHCPKHFHSA-N 449.453 5.060 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)c1 1862501679 IGCGFCVFSRIPDF-YCASGBEESA-N 437.511 5.300 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCOc2ccccc2)cc1 1862508171 YHIUQKYDBLKQCK-XMMPIXPASA-N 445.490 5.100 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2cccc(C)c2)cc1 1862533373 LYJHGEZIKTUGHN-VWLOTQADSA-N 425.528 5.644 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccccc2Cl)cc1 1862536048 PPMFGMDPDNXAAF-HSZRJFAPSA-N 449.909 5.820 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1 1862581091 YNZWUVOJPWBVNH-HXUWFJFHSA-N 432.347 6.152 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccccc2Cl)cc1 1862589529 MXOSRYFFQAFULX-QFIPXVFZSA-N 433.891 5.133 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(Cl)cc1Cl 1862622280 CPMQTXJOZRDSNT-FQEVSTJZSA-N 446.374 6.279 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2ccccc2C)cc1F 1862638479 CBCLGERWKWKMCA-XMMPIXPASA-N 445.490 5.230 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 1862668130 RFBJIGYPRNJNJW-FQEVSTJZSA-N 430.331 5.858 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@@H]2c2cccc(C)c2)c1 1862699926 ZLTSUXWYUKMFBE-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cccc(Cl)c1)c1ccc2ccccc2c1 1862711960 GSACGTHUJHAVHW-DEOSSOPVSA-N 445.946 6.404 30 10 IKEE O=C(O)c1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C2CCCC2)cc1 1862713998 BIUGWPRIAVWVTO-HSZRJFAPSA-N 441.483 5.059 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccccc1C 1862721649 HOUILJSOJAREQZ-VWLOTQADSA-N 425.528 6.040 30 10 IKEE CCCCc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccccc3F)C2=O)cc1 1862918945 NTHUISSOLIQEQN-UHFFFAOYSA-N 439.490 5.437 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(N(C)C)cc2)=C(c2ccccc2F)C1=O 1863292817 HLIUUEZWZQOBIP-UHFFFAOYSA-N 437.559 5.444 30 10 IKEE C=CCn1cc(OCCOc2cccc3ccccc23)c(=O)cc1CN1C[C@H](C)C[C@@H](C)C1 1870593108 GRRXJDCPJIEAPS-FGZHOGPDSA-N 446.591 5.123 30 10 IKEE C=CCOc1cn(CCc2c[nH]c3ccccc23)c(CNc2ccc(Cl)c(C)c2)cc1=O 1870808993 KBMXJZGCZZKWJC-UHFFFAOYSA-N 447.966 5.711 30 10 IKEE COc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(C3CCCCCCC3)C4)C2=O)cc1 1871355439 LHEXYYVDOWVBSS-OYKKKHCWSA-N 433.548 5.885 30 10 IKEE CCCCCCCCN1COc2c(cc3c(c2C)O/C(=C\c2ccc(CC)cc2)C3=O)C1 1871355832 YWULYUCYBSJNMR-XYGWBWBKSA-N 433.592 6.686 30 10 IKEE COc1ccc([C@@H](C)N2COc3c(cc4c(c3C)O/C(=C\c3sccc3C)C4=O)C2)cc1 1871359338 LDVCIRCPHRIRIY-MTEVNVADSA-N 447.556 5.903 30 10 IKEE Cc1c(OC(=O)COc2ccccc2)ccc2c1O/C(=C\c1c(F)cccc1Cl)C2=O 1871364275 NYNBHCKCFREKES-MTJSOVHGSA-N 438.838 5.388 30 10 IKEE O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O 1871377667 XPEOGSMTAMMFIX-YAWPGIFISA-N 447.830 5.483 30 10 IKEE Cc1cc(OC(=O)c2cccc(OCC(C)C)c2)cc2c1C(=O)/C(=C/c1cccc(F)c1)O2 1871381608 YDGIDVXWISZZLH-MSXFZWOLSA-N 446.474 6.004 30 10 IKEE O=C1/C(=C/c2cccs2)Oc2c1ccc(O)c2CN(C1CCCCC1)C1CCCCC1 1871392954 FVXOYZNYFIAZED-JLPGSUDCSA-N 437.605 6.537 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCCCCOc4ccccc4C)ccc3C2=O)cc1 1871404363 KEYRHKCNZKOMEA-ONUIUJJFSA-N 430.500 5.858 30 10 IKEE CCc1ccc(OCCCOc2ccc3c(c2C)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871412842 HBQDIUFMDXUBQG-UQQQWYQISA-N 448.946 6.675 30 10 IKEE CCCCCCCCCOc1ccc2c(c1C)O/C(=C\c1ccc(C(=O)OC)cc1)C2=O 1871429308 BXEADGLTJAIMCT-MOHJPFBDSA-N 436.548 6.527 30 10 IKEE Cc1cc(C)c(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2C)C3=O)c(C)c1 1871458173 DAYLLXUKMPIUAB-CFRMEGHHSA-N 441.527 5.862 30 10 IKEE CCCCCCCCN=c1[nH]c(=NCCCCCCCC)[nH]c(=Nc2cccc(O)c2)[nH]1 1871472286 SAHMHYBYOJZNTE-UHFFFAOYSA-N 442.652 5.131 30 10 IKEE C=CCN([C@H](CCC)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1ccccc1 1871821924 MGSHRMVGLQQERX-HSZRJFAPSA-N 428.598 5.013 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(OCC(C)C)c3)n2)cc1 1872769964 FCMTWIWJTSMQNO-JOCHJYFZSA-N 434.561 6.124 30 10 IKEE CC(C)c1csc([C@@H](C#N)C(=O)CCCOc2ccc(Cl)cc2Br)n1 1872773946 CEJCPQREDUKJIG-ZDUSSCGKSA-N 441.778 5.718 30 10 IKEE CCOc1cc(/C=N/Nc2ccc3c(=N)[nH][nH]c3c2)ccc1OCc1cccc(Cl)c1 1873793168 ZWHUECXLZKETSL-LGJNPRDNSA-N 435.915 5.053 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3cccc(OCC(C)C)c3)c(=O)oc2c1 1873955805 PRHIEXGPAUQDED-UHFFFAOYSA-N 435.520 5.272 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1cccc(F)c1 1874230385 HAPKJIKIJFBAIF-BHGWPJFGSA-N 430.936 5.508 30 10 IKEE CCCCOc1ccc(/C=N/n2c(COc3c(C)ccc(C)c3C)nnc2SC)cc1 1874253060 IYYPZTYVCGAMLO-MFKUBSTISA-N 438.597 5.565 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1c[nH]c2ccccc12 1874282939 HNHKTNIKHGBEGJ-VULFUBBASA-N 435.984 5.748 30 10 IKEE CCCCC1CCC(c2nnc(SCC)n2/N=C/c2cc(OC)c(O)c(OC)c2)CC1 1874285372 XTQANWMVHWCYRK-BUVRLJJBSA-N 446.617 5.459 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccc(F)cc2)c(C)c1 1874327387 LFKNEARTWXUPNH-JFLMPSFJSA-N 446.551 5.788 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2C)n1/N=C/c1ccccc1OCCC 1874362546 KMZBSVUXIXBRNQ-YZSQISJMSA-N 434.609 5.711 30 10 IKEE Fc1cccc(CSc2nnc(CCc3cccs3)n2/N=C/c2cccs2)c1 1874370197 MRSGJMVKYDYJEQ-LPYMAVHISA-N 428.583 5.500 30 10 IKEE Cc1cccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccccc2Cl)c1 1874403548 GGTOKYBAISNEIA-WPWMEQJKSA-N 447.007 6.200 30 10 IKEE Oc1ccccc1/C=N/n1c(SCc2ccccc2Cl)nnc1-c1cccs1 1874422647 XELCAEJBAQVZTF-WSDLNYQXSA-N 426.954 5.540 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2)n1/N=C/c1ccc(OCCC)c(OCC)c1 1874427971 KZCQZTVALYYJMF-PCLIKHOPSA-N 436.581 5.683 30 10 IKEE Oc1cccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2-c2ccccc2)c1 1874429563 POFHITZWSISVFB-WPWMEQJKSA-N 436.540 5.978 30 10 IKEE Cc1ccc(CSc2nnc([C@H]3CCCO3)n2/N=C/c2c(F)cccc2Cl)cc1 1874441853 KSUBNCMBTMCWIB-QVHMZZSFSA-N 430.936 5.405 30 10 IKEE Clc1ccccc1CSc1nnc([C@H]2CCCO2)n1/N=C/c1cccc2ccccc12 1874446005 QDNVHGIXDNVVOW-QVGKIPNLSA-N 448.979 6.111 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3cccc(F)c3)nnc2[C@@H]2CCCO2)c1 1874448326 YUTVGJFVRPXUMV-XAOCGEIJSA-N 440.544 5.232 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2cc(Cl)ccc2O)c1 1874451218 UOXWEWLFBQVWEM-VWXZLZIGSA-N 442.972 5.280 30 10 IKEE O=[N+]([O-])c1cccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CCCC2)c1 1874457369 MWXCVCNNYRIERF-YDZHTSKRSA-N 441.944 5.672 30 10 IKEE COCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccccc1C 1874474279 VXBPHIJCUYMFNI-FSJBWODESA-N 435.380 5.257 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C(C)(C)C)cc1 1874483482 YJESMCGXXBSVMA-WGOQTCKBSA-N 440.588 6.068 30 10 IKEE CC(C)(C)c1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CCC2)cc1 1874497478 LPUJCQCRMFDVAX-CVKSISIWSA-N 439.028 6.671 30 10 IKEE Sc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1cccc(Oc2ccccc2)c1 1874567229 MITPINXXRPVSKM-WPWMEQJKSA-N 444.604 6.000 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)N[C@H](C)c2ccccc2)c(C)c1 1874579104 WZCGNCBKUIDRJL-XEDBTPMOSA-N 447.962 6.109 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)N[C@@H](C)c2ccccc2)cc1C 1874587772 CSDOBANLRPTXKI-RPAADVPWSA-N 447.962 6.109 30 10 IKEE COc1cccc(/C=C/C(=O)c2c(C)cc(C)cc2C)c1OCC(=O)Nc1ccccc1 1874590064 QWTJACNLTGBCAQ-BUHFOSPRSA-N 429.516 5.534 30 10 IKEE C=CCOc1c(OC)ccc(/C=C/C(=O)c2ccc(OCCC)cc2)c1Br 1874595802 DXBIBEQGRWYAJO-XYOKQWHBSA-N 431.326 5.707 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 1874602191 YTXGUWHHSRHRMX-DHZHZOJOSA-N 430.460 5.125 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)c1 1874605387 XWZZBFPGHCDSCU-DHZHZOJOSA-N 443.326 6.486 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Br)c1OCCO 1874624242 SQYGALHLNVHBEI-BJMVGYQFSA-N 433.342 5.238 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 1874625254 UJEWLXFIRUTEAU-LFYBBSHMSA-N 445.317 7.006 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(Cl)c(OC)cc2OC)cc(OC)c1OCC(=C)C 1874631726 QYIYRJSINUYEIY-MDZDMXLPSA-N 442.939 5.945 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)ccc1OCc1ccc(Cl)cc1 1874635753 UOWNFVQHNOSNFR-NTEUORMPSA-N 448.990 7.430 30 10 IKEE CCOc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc4ccccc4c3)c2)cc1 1874692689 SRBKQFDLSYDABS-SFQUDFHCSA-N 436.507 6.283 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cccnc3)c2)cc1OCCC 1874699935 UEWBVVUFTNUNRJ-ZRDIBKRKSA-N 445.515 5.775 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3cccc4ccccc34)c2)cc1 1874701301 LHVXVCCODJXCNP-QGOAFFKASA-N 436.507 6.283 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc3c(c2)OCO3)c1)c1ccc(Cl)c(Cl)c1 1874702666 DDFJXGVEYNPRIM-XBXARRHUSA-N 441.266 5.837 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1OC(=O)c1cccc(F)c1 1874705891 FQIBKKHDJABOII-RIYZIHGNSA-N 432.491 6.247 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)Cc1ccc(C)cc1 1875094587 ZKBQQNDMGKEJRF-ACCUITESSA-N 445.471 5.346 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)CCc1ccccc1 1875094964 RQOKNEUKAQSSLW-JLHYYAGUSA-N 431.444 5.038 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)cc2)cc1C 1875107388 NNJJXHWITXGICU-SFCRGHRMSA-N 446.930 6.262 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(C)c3)cc2)c1 1875107513 UNRRADBWUJDTCD-NTEUORMPSA-N 430.500 5.447 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3cc(C)cc(C)c3)c(OC)c2)cc1 1875112804 PSZPZLGNSVKTRC-IZZDOVSWSA-N 446.499 5.445 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)[C@H](C)c1ccccc1 1875116165 OGVOCBUKUPGWHA-IKFRKZOMSA-N 445.471 5.599 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC(=O)c1ccccc1C 1875116718 OYSSZXVUACGPLX-MDWZMJQESA-N 447.443 5.036 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)Cc1cc(C)ccc1C 1875119588 BSZNTVGFFOFQFL-ACCUITESSA-N 430.500 5.365 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC(=O)CCOc1ccccc1 1875127429 DLFFPCXWWOUBFS-NTUHNPAUSA-N 436.891 5.619 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OCC)cc3)c(OC)c2)cc1 1875131440 YNMPLCAHJNBJLI-OMCISZLKSA-N 446.499 5.608 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)Cc1cccs1 1875135973 QSYVDFKWFJCSMS-DHZHZOJOSA-N 440.948 6.153 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCSC)c([N+](=O)[O-])c2)cc1 1875138231 KDSHQTJVTJWKQE-WUXMJOGZSA-N 443.521 5.328 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)c(F)c3)c(Cl)c2)ccc1F 1875141364 ANIQZJGQYOCYBB-KRXBUXKQSA-N 430.809 6.181 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3Cl)c([N+](=O)[O-])c2)cc1 1875155671 OEVSKAUXPNXWER-NTUHNPAUSA-N 449.890 6.487 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)c1cncc(C)c1 1875155843 CMGVUERQVWPPDF-BJMVGYQFSA-N 449.934 6.291 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)c(C)c1C 1875167585 HRFLAPZRGXVEAC-IZZDOVSWSA-N 430.456 5.156 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1cnc(C)cn1 1875170380 UTIVPQXVGUDRBY-CSKARUKUSA-N 444.531 5.533 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)c1ccccn1 1875171279 OQRPRYVVCBNXAO-PKNBQFBNSA-N 431.488 5.221 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)c1cccc(C)c1 1875171477 YURXVRDEUCIULF-ZRDIBKRKSA-N 444.527 6.134 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N(C)CCCC)n2CCCC 1875211506 FNRNERPSXJKAFM-UHFFFAOYSA-N 443.680 6.656 30 10 IKEE CC1(C)OB([C@@]23C[C@@H]2CCN(Cc2cc(Br)ccc2Cl)C3)OC1(C)C 1879791892 FZDOGLGJUZLOTQ-IFXJQAMLSA-N 426.591 5.161 30 10 IKEE N#Cc1ccc(F)c(C(=O)NCCSc2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)c1 1892088684 CHWFLYSBGCMJQD-UHFFFAOYSA-N 449.938 6.021 30 10 IKEE CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1[C@H](C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1899596870 WXRFAQBCSITCPJ-DLBZAZTESA-N 435.590 5.023 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCC1 1924940824 LBAGYYWZEOAYCZ-BXKMTCNYSA-N 433.593 5.143 30 10 IKEE CC1(C)OB(c2cnc(N(Cc3ccccc3)Cc3ccccc3)c(Cl)c2)OC1(C)C 1953340124 YIZZSSDQQZKUGZ-UHFFFAOYSA-N 434.776 5.241 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@H]1CN(C(=O)OC(C)(C)C)CC12CCCC2 2006547441 NIHKZZXJURTNMK-PKTZIBPZSA-N 428.617 5.165 30 10 IKEE C=CCCCCCC[C@@H](NCC)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2026015035 PMSANASKCPMXJA-DNQXCXABSA-N 431.665 5.516 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)cc(Br)c1)NCCC 2063090787 VHRLHZVSMZIVTR-IAGOWNOFSA-N 431.802 5.093 30 10 IKEE CCc1nn([C@@H](c2ccc(C(C)C)cc2)C(C)(C)C)c(I)c1C#N 2079902440 BSEJCVSVGRFPNM-SFHVURJKSA-N 435.353 5.681 30 10 IKEE CCc1nn([C@@H](c2ccc(C(F)(F)F)c(F)c2)C(C)C)c(Br)c1C=NO 2079969716 HYTBDAOPWJDNSU-OAHLLOKOSA-N 436.247 5.419 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCCC[C@@H]1C(F)(F)F 2144654898 QGRFSFMJHKGYSW-YJBOKZPZSA-N 447.295 6.205 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1ccc2c(c1)COC2 2156032991 GYHKRZGTHGNVID-LJQANCHMSA-N 429.314 5.486 30 10 IKEE CCC1CCC([C@](C)(C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)CC1 2168396820 PWZNHZCIRIXQLG-XWTGJVNOSA-N 435.406 6.689 30 10 IKEE C=CCCCCCCC[C@@H](N)[C@H](O)c1scc(Br)c1Br 2235531695 BVYXOFNTUZUJQU-OCCSQVGLSA-N 425.230 5.551 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Cl)cc(Cl)c1Cl 2235580622 FWWZVNGRRIPYHW-WMZOPIPTSA-N 433.807 5.994 30 10 IKEE C=C(CC)C[C@H](NCCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237421538 HZMKEVNFPPDEEB-PMACEKPBSA-N 439.438 5.609 30 10 IKEE C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2247818495 XPUWYTIHVQRUCZ-OAHLLOKOSA-N 445.821 5.142 30 10 IKEE Cc1cc(C(=O)N(Cc2ccccc2)CC2CCC2)cc(C)c1B1OC(C)(C)C(C)(C)O1 2267108192 UJHYGDOQOGDBPQ-UHFFFAOYSA-N 433.401 5.045 30 10 IKEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)Nc1cccc(OCc2ccccc2)c1 2267190950 VQGKFKHDUXFLSX-UHFFFAOYSA-N 449.381 5.187 30 10 IKEE O=C(O)COc1cccc(C=C2SC(=Nc3ccccc3)N(C3CCCCC3)C2=O)c1 2293308748 MRYAVTGIDHXNGI-UHFFFAOYSA-N 436.533 5.087 30 10 IKEE CCCCN1C(=O)C(=C2Sc3ccccc3N2CC)SC1=Nc1ccc(C)cc1C 2295178629 HHGWGMCWHDRVFN-UHFFFAOYSA-N 437.634 6.468 30 10 IKEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc([C@H](N)C#Cc2ccc(Br)cc2)cc1 2296297111 VRWBFHDRDZYSGO-FOIQADDNSA-N 429.358 5.086 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)c1cc(CNC(=O)OC(C)(C)C)cs1 2296300968 OYAUAWLNOBTSQA-SFHVURJKSA-N 449.414 5.238 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@H]2c2ccc(F)cc2)cc1 2296762204 LMWOXDKLWIKHDC-XMMPIXPASA-N 429.447 5.017 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCC2)[C@H]1C(F)(F)F 2303930734 MMEBABSCUATVEV-MGPUTAFESA-N 447.498 5.000 30 10 IKEE Cc1cc(C=C2SC(=Nc3ccc(F)cc3)NC2=O)c(C)n1-c1ccc(N(C)C)cc1 2313558310 XOKVVSHGQDDXFO-UHFFFAOYSA-N 434.540 5.191 30 10 IKEE Cc1c(Cl)cccc1N=C1NC(=O)C(=Cc2cc(C)n(-c3cccc(F)c3)c2C)S1 2313559953 CQCXJRCNRWKMQL-UHFFFAOYSA-N 439.943 6.087 30 10 IKEE COc1ccc(C=C2SC(=Nc3ccncc3Cl)N(C3CCCCC3)C2=O)cc1 2314542812 PEAUWXIYDOSCFI-UHFFFAOYSA-N 427.957 5.680 30 10 IKEE COc1ccc(C=NNc2nc3ccccc3[nH]2)cc1OCc1ccc(Cl)cc1Cl 2321733823 AZFUBCXJJYYGIF-UHFFFAOYSA-N 441.318 5.903 30 10 IKEE CC(C)(C)c1cc(C=Nn2c(S)nnc2CC2CCCCC2)cc(C(C)(C)C)c1O 2321958555 PSRHFIFGGHZBSD-UHFFFAOYSA-N 428.646 5.872 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O3)CN(CCOC(C)C)CO2 2322015976 HNCNTUBVIVFVEI-UHFFFAOYSA-N 435.564 5.486 30 10 IKEE CCCNC(=O)COc1c(C=CC(=O)c2ccc(-c3ccccc3)cc2)cccc1OC 2322307636 YGEVAAGBJKPPOX-UHFFFAOYSA-N 429.516 5.163 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccccc1OC 2322481620 UZKPCMCPQIGMLV-UHFFFAOYSA-N 429.944 5.272 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(F)c(C)c2)c1OCC(=O)Nc1cc(C)cc(C)c1 2322638266 DHYOWTAQMVAXOD-UHFFFAOYSA-N 447.506 5.673 30 10 IKEE CCN(CC)C(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccc(OC)c(C)c1C 2322818699 JSUKGDHGLGUBHO-UHFFFAOYSA-N 445.559 5.609 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3cccc(C)c3)c2)cc1F 2323201968 NGMLXAHEIDQPBP-UHFFFAOYSA-N 449.478 5.065 30 10 IKEE CCOc1c(OC)ccc(C=CC(=O)c2cc(Cl)cc(C)c2OC)c1Br 2323299934 OKMRWROMWKCYKS-UHFFFAOYSA-N 439.733 5.723 30 10 IKEE Cc1cc(OC(=O)c2ccc(C(F)(F)F)cc2)cc2c1C(=O)C(=Cc1cccc(F)c1)O2 2323352282 JLTZSCFYMABOBB-UHFFFAOYSA-N 442.364 5.988 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OC(=O)C=Cc3ccc(OC)cc3)ccc2C1=O 2323422933 LWXJUQCEDYYOPS-UHFFFAOYSA-N 442.467 5.329 30 10 IKEE COC(=O)c1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2)C3=O)cc1 2323613346 RWFFYINFGZPBDW-UHFFFAOYSA-N 440.451 5.017 30 10 IKEE CCCOc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1 2323827247 MRSQTHWHMPHONM-UHFFFAOYSA-N 432.447 5.758 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2ccc(OC)c(F)c2)cc1 2324107455 HDFNCCYEYITGLJ-UHFFFAOYSA-N 433.479 5.310 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1ccc(C)o1)C2=O 2324349240 SHQNZHKUBYUZNT-GOSISDBHSA-N 445.515 5.789 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2324378679 WUDXOHSLCQHYTB-QGZVFWFLSA-N 447.918 5.979 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2Cl)cc1C 2324447351 RHMIGWTTYAWSMJ-UHFFFAOYSA-N 447.962 6.487 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccc(C)cc2)C3=O)cc1 2324452468 QYWRLEGIUJIDKL-SFHVURJKSA-N 443.499 5.334 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCCCOc3ccc(C)cc3)cc(C)c2C1=O 2324545902 ZGLICXMZFMDSGF-UHFFFAOYSA-N 444.527 6.166 30 10 IKEE Cc1ccc(NC(=O)CCOc2ccc3c(c2C)OC(=Cc2ccccc2F)C3=O)cc1 2325226201 YQUQBIJNJVTUPP-UHFFFAOYSA-N 431.463 5.466 30 10 IKEE Cc1ccsc1C=Nn1c(CCc2ccccc2)nnc1SCc1cccc(F)c1 2325443853 AVRVYBBZEIDWIT-UHFFFAOYSA-N 436.581 5.747 30 10 IKEE CCc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2cccc(F)c2)cc1 2325471608 GYJDNZLUQJTYMD-UHFFFAOYSA-N 430.552 5.745 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1cc(Cl)c(O)c(OC)c1 2325556067 WMWJOGZJWJOALQ-UHFFFAOYSA-N 444.988 5.390 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1cccc(Br)c1 2325566646 FZJTXPLRGXELGV-UHFFFAOYSA-N 449.805 5.821 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccccc3F)c2)cc1 2325710463 HEWVZDVNOVAUPD-UHFFFAOYSA-N 432.491 6.292 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cc(C)cc(C)c3)c2)cc1 2325710644 BWHMFEICMNZGMG-UHFFFAOYSA-N 442.555 6.770 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4cc(C)ccc4C)c3C)C2=O)cc1 2325740926 HNTRRWUTGJYGDL-UHFFFAOYSA-N 441.527 5.808 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(-n3cccc3)cc2)c1)c1ccc2c(c1)OCO2 2325747471 ILHYYUOCGGJSFG-UHFFFAOYSA-N 437.451 5.321 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1OC(=O)c1cccc(C)c1 2325755264 QPNZTZALOWWZFB-UHFFFAOYSA-N 430.500 5.744 30 10 IKEE Cc1[nH]c2ccccc2c1C=Nn1cnnc1SCc1ccc(Br)cc1 2326606488 FRITVKNZBGUBSN-UHFFFAOYSA-N 426.343 5.005 30 10 IKEE Cc1nnc(SCc2cccc(F)c2)n1N=Cc1ccccc1OCc1ccccc1 2326728687 MTIGEXRQBOFAPS-UHFFFAOYSA-N 432.524 5.479 30 10 IKEE CCCc1nnc(SCc2cccc(F)c2)n1N=Cc1c(C)n(CC)c2ccccc12 2326733797 HSQVYPUSNRZZOK-UHFFFAOYSA-N 435.572 5.827 30 10 IKEE CCCCC1CCC(c2nnc(SC)n2N=Cc2ccc(OCC)c(OC)c2)CC1 2328106450 SNQZJLUTLGDATB-UHFFFAOYSA-N 430.618 5.754 30 10 IKEE N=c1[nH][nH]c2cc(NN=Cc3ccc(OCc4ccc(Cl)cc4Cl)cc3)ccc12 2328801486 GCVMECACSQPDQV-UHFFFAOYSA-N 426.307 5.307 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1c(Cl)cccc1Cl 2329420236 FIXGYYPPFDGTDB-UHFFFAOYSA-N 445.419 6.343 30 10 IKEE CCCCOc1ccc(C=Nn2c(Cc3cccs3)nnc2SCCC)cc1OC 2330418883 YMZHGGWWNOHGGY-UHFFFAOYSA-N 444.626 5.502 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccccc2)n1N=Cc1cccc2ccccc12 2330459276 AHBVNWMAPWQVSL-UHFFFAOYSA-N 448.595 6.505 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccncc2)c(Cl)c1)c1ccc(-c2ccccc2)cc1 2330599748 RFUFIRHYXFGYIP-UHFFFAOYSA-N 439.898 6.517 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccccc2)c1 2330653813 LOFCAEZJCQIZHV-UHFFFAOYSA-N 445.504 5.036 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(OC)c(OC)c2)cc1OCC 2330726951 QLCOYJMFHUWMQB-UHFFFAOYSA-N 446.927 5.748 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(CC(C)(C)C)n2N=Cc2ccc(C)cc2)cc1 2330821091 KHSUXSNYVIXHIQ-UHFFFAOYSA-N 449.624 5.351 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(Br)cc2)cc1OC 2330881170 KNBNROWKUUETIV-UHFFFAOYSA-N 437.717 5.713 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccccc3Cl)cc2OC)cc1 2330949401 LEXIAPSZWJUPLO-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)cc2)cc1 2330952348 WABBSVNRVLONJO-FQEVSTJZSA-N 444.527 6.088 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)CCCSC 2331106142 LRIGKRWMHNJFLJ-UHFFFAOYSA-N 446.515 5.647 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)c1cccnc1 2331132888 ZPZVPARUFLPGDW-UHFFFAOYSA-N 433.891 5.587 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC(=O)Cc1cc(C)ccc1C 2331156680 ZNXLMVHKJTVULH-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE COCCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(C(C)(C)C)cc1 2331286619 QQUYIXNRSOGOPZ-UHFFFAOYSA-N 443.016 5.592 30 10 IKEE CC(C)(C)c1nnc(SCCc2ccccc2)n1N=Cc1ccc(Cl)c(Cl)c1 2331398887 WQFVCTDJYWEEFD-UHFFFAOYSA-N 433.408 6.099 30 10 IKEE CCOc1cc(C=Nn2c(CC(C)C)nnc2SC)ccc1OCc1ccc(C)cc1 2331421417 NOBHZGFBQSPLDE-UHFFFAOYSA-N 438.597 5.367 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)c3ccccc3)c([N+](=O)[O-])c2)cc1F 2331459154 SPDXJZBCFJQNDM-INIZCTEOSA-N 449.434 5.348 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)CC1CCCCC1 2331503208 ZKHCWHCCRQHJAX-UHFFFAOYSA-N 434.576 6.981 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)C=Cc2ccc(Cl)cc2Cl)n(C(C)(C)C)n1 2331667908 ODUHLVJTNCHHDS-UHFFFAOYSA-N 434.371 5.170 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)ccc1OC(=O)c1ccco1 2331752275 NHQLYJGABNOHRB-UHFFFAOYSA-N 426.852 5.374 30 10 IKEE CCC1CCC(C#N)(Cc2ccc(I)c(Br)c2)CC1 2349878609 SPHOTJGOZPHTNX-UHFFFAOYSA-N 432.143 5.706 30 10 IKEE Cc1cccc(CN2C(=O)/C(=N\NC(=S)Nc3c(C)cc(C)cc3C)c3ccccc32)c1 3041409 ULIBXWZEXJXZGS-COOPMVRXSA-N 442.588 5.158 30 10 IKEE COc1ccc(C(=O)/C(=C\Nc2ccc(C(F)(F)F)cc2)c2ccc(OC)cc2)cc1 8857366 LWJFMJCNKCGKDR-JCMHNJIXSA-N 427.422 6.059 30 10 IKEE Clc1cc(Cl)c(N/N=C/c2cn(-c3cccs3)nc2-c2ccccc2)c(Cl)c1 12564642 DQFZGBJXKLPFBE-BHGWPJFGSA-N 447.778 7.007 30 10 IKEE COc1ccc(COc2ccc(/C=N/Nc3nc(SCc4cccc(C)c4)n[nH]3)o2)cc1 20424639 PSMOIRKMTGXTIG-ZMOGYAJESA-N 449.536 5.032 30 10 IKEE COc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccccc1Cl 20881650 IPQYAYJNVQCYNL-AKJBCIBTSA-N 430.935 6.328 30 10 IKEE COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccc(F)cc2)cc1OC 28052545 IOCYXWBLZAIPPU-WAIKUNEKSA-N 434.467 5.098 30 10 IKEE CCOc1ccc(/C=C2\S/C(=N/c3cccnc3Cl)N(C3CCCCC3)C2=O)cc1 39864162 JNQVHFCGGXTCSI-PKPRBZMYSA-N 441.984 6.070 30 10 IKEE CCOc1cc(/C=C2\S/C(=N/c3nc(C)cs3)N(C3CCCCC3)C2=O)ccc1O 39865621 IZTISWMXRRGXMX-QLIPUSLZSA-N 443.594 5.493 30 10 IKEE Cn1cccc1/C=C1/S/C(=N/c2nc(-c3ccccc3)cs2)N(c2ccccc2)C1=O 39865964 BYPDZRNUKUPTLN-OIHHALDZSA-N 442.569 5.957 30 10 IKEE C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCCC)c1 40077809 WLEPNYVSTILGIG-QHCPKHFHSA-N 435.520 5.029 30 10 IKEE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1/C(=N/Nc1ccccc1)CCC2 40824213 JLNDFANPXDKFSL-RDRPBHBLSA-N 427.426 6.012 30 10 IKEE Cc1c(Cl)cccc1/N=C1/NC(=O)/C(=C/c2cc(C)n(-c3cccc(F)c3)c2C)S1 59137312 CQCXJRCNRWKMQL-NHDPSOOVSA-N 439.943 6.087 30 10 IKEE CCCCCCCCC[C@H](CCCCCCCC(=O)OCCCC)OS(=O)(=O)O 100057296 AVTJBWDHTDGIIG-OAQYLSRUSA-N 436.655 6.389 30 10 IKEE CCCCCCCOc1ccc2ccccc2c1[C@H]1Nc2ccccc2C(=O)N1[C@H](C)CC 100139544 IJVACSKBDASVJD-PIKZIKFNSA-N 444.619 7.554 30 10 IKEE Cc1ccc2oc(-c3cc(/N=C/c4ccc(OCc5ccccc5)cc4)ccc3O)nc2c1 100488088 PQDNFSRPUPGFFE-STBIYBPSSA-N 434.495 6.838 30 10 IKEE CN1C(=O)/C(=C/C=C/c2ccccc2[N+](=O)[O-])S/C1=N/c1nc(-c2ccccc2)cs1 101130097 CWSACVAGZAKVFE-QNZAOBFNSA-N 448.529 5.508 30 10 IKEE CCCCCCCCCCCCn1c([C@@H](C)NC(=O)C(CC)CC)nc2ccccc21 102119963 MHQGFHCBCJOAPQ-JOCHJYFZSA-N 427.677 7.571 30 10 IKEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2cccc(F)c2)cc1 102501027 VEXIJUURWJQFRF-SADKCHQCSA-N 444.487 5.370 30 10 IKEE CCCN1C(=S)N[C@@H](c2cc(Cl)c(OCC(C)C)c(Cl)c2)C2=C1CCCC2=O 169930219 DQKMOVOAAZNINH-IBGZPJMESA-N 441.424 5.677 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2cccc(C)c2)cc1C 169969881 GZFORFICOHOLLP-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cccc(C)c1 169970537 RFMBFAAMPRJDRA-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccc2ccccc12)c1cccc(Cl)c1 170045488 HUUZGAUEJPOKMM-QHCPKHFHSA-N 443.886 5.865 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccccc1F)c1cc2ccccc2o1 170070414 YBJOFQPWZLMLCA-QFIPXVFZSA-N 447.849 6.008 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccco2)c1 170098049 IEFNYOFNPOMPHN-HXUWFJFHSA-N 446.484 5.071 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccc(C)c2)cc1C 170141791 YCEXNEYWBMXKNI-XMMPIXPASA-N 427.500 5.485 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccccn2)cc1 170173991 JSXZZCXAKNOUCS-QFIPXVFZSA-N 448.906 5.305 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccncc2)cc1 170201285 IXQDSANDDOWUFI-VWLOTQADSA-N 434.495 5.580 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccncc2)c1 170204344 WTXLDIAEYOXTEE-QFIPXVFZSA-N 448.906 5.225 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 170235235 WQNSSKPEVIVCPQ-HSZRJFAPSA-N 447.918 5.910 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(F)cc1 170242147 XFSBBRXAGGHTRN-NRFANRHFSA-N 443.902 5.399 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(C(C)C)cc1 170245873 ITQUSHJBGUCLAX-SANMLTNESA-N 441.571 6.732 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1cn(C)c2ccccc12 170269603 PXNFHZRXDDACII-XMMPIXPASA-N 446.547 5.201 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@@H]1c1ccc(C)o1 170305010 GUBVQBYJNKBHNQ-JOCHJYFZSA-N 435.451 5.135 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2sccc2C)ccc1F 170313606 QRLDMYZNHIWMGL-IBGZPJMESA-N 425.456 5.426 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2F)cc1Cl 170381070 APJMAGSOJUVFBQ-NRFANRHFSA-N 437.854 5.271 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2sccc2C)cc1OC 170405512 URAPMKDKZDEBSQ-NRFANRHFSA-N 449.528 5.165 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1cccc(C(F)(F)F)c1 170406030 UCNAVUJVNPMDDB-SFHVURJKSA-N 443.446 5.858 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1)c1cccs1 170421079 CPKOYROXYKFULI-IBGZPJMESA-N 443.446 5.545 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(C(C)C)cc2)cc1 170422411 BGORBJSMBAZLOP-HSZRJFAPSA-N 431.488 5.190 30 10 IKEE CSc1nc(Nc2ccc(Cc3ccncc3)cc2)c(C#N)c(-c2cccc(Cl)c2)n1 242914607 GVEPXTJBEARTQO-UHFFFAOYSA-N 443.963 6.120 30 10 IKEE COc1ccc(O)c(-c2cc(-c3ccc(C#N)cc3)cc(N[C@@H]3CCC[C@@H](C(=O)O)C3)n2)c1 247877639 HVJHVUIODQULTQ-UYAOXDASSA-N 443.503 5.057 30 10 IKEE O=C(O)CSC1=NC(=Nc2ccc(Cl)cc2)C2(CCCCC2)N1Cc1ccccc1 252616308 JZFLHZVFHARUKZ-UHFFFAOYSA-N 441.984 5.763 30 10 IKEE N#Cc1c(-c2ccccc2)c(-c2ccccc2)n(Cc2ccccc2)c1N=CN1CCCC1 254505247 ZXXINQMANVQBOA-UHFFFAOYSA-N 430.555 6.498 30 10 IKEE Clc1ccc(-c2nc3ccc(N=Cc4cccc(Br)c4)cc3[nH]2)c(Cl)c1 254709015 YUGJGHIOFVXWQU-UHFFFAOYSA-N 445.147 7.050 30 10 IKEE N#Cc1ccc(Nc2cc(I)ccc2Cl)c(Br)c1 305945651 GDEPDJUDGXXJHY-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(C)cc2)c1 526515827 KSLPGLKYBWEUFG-AREMUKBSSA-N 438.527 6.103 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1c(OCC)ccc2ccccc12 526804098 FUVKIQDDCPVJMQ-PKAZHMFMSA-N 444.604 6.265 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1ccc(F)cc1 526824750 RUGOKJAJJQVYIR-MSXFZWOLSA-N 437.371 6.241 30 10 IKEE C[C@H](NC(=O)Nc1ccc(C(=O)Nc2scc(C(C)(C)C)c2C#N)cc1)c1ccccc1 586632777 JUOUUHRYHNOIQQ-INIZCTEOSA-N 446.576 6.052 30 10 IKEE Cc1cc(Cl)ccc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 698449947 ARUKIJMIFAMAGV-SFHVURJKSA-N 435.749 6.417 30 10 IKEE COCc1cccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)c1 698456365 IOPNXFHZUQSTJR-IBGZPJMESA-N 431.330 5.602 30 10 IKEE C=CC[C@H](C)[C@@H](NCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 715786520 GTXXBKRJGMDREG-KFKAGJAMSA-N 425.411 5.075 30 10 IKEE C=CC[C@@H](C)[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCC 715791268 XREHEQMHWWRSFQ-GGAORHGYSA-N 429.649 5.126 30 10 IKEE C=CCC1([C@H](NC)c2ccc(Br)c(Cl)c2F)CN(C(=O)OC(C)(C)C)C1 722921124 SRTYBYJLLJTTLB-MRXNPFEDSA-N 447.776 5.315 30 10 IKEE C(=NNc1nc(SCCOc2ccccc2)n[nH]1)c1ccccc1OCc1ccccc1 1084210823 NPDZJFLHPVRIKQ-UHFFFAOYSA-N 445.548 5.001 30 10 IKEE COc1cc(C=Nc2c(-c3ccco3)nc3ccccn23)ccc1OCc1ccccc1F 1084274004 JIBXJRBASKMHLZ-UHFFFAOYSA-N 441.462 6.072 30 10 IKEE C[C@H]1C[C@@H](C)CN(/C(=N/Cc2cc(Br)ccc2F)Nc2ccccc2O)C1 1088735589 XGFFJMRSWYRUDM-GASCZTMLSA-N 434.353 5.240 30 10 IKEE COc1ccc(CCN2/C(=N/c3ccc(C)cc3)S[CH][C@H]2c2ccc(F)cc2)cc1OC 1614592991 AEDLIWIKAWCREA-PQHDRGKASA-N 449.571 6.333 30 10 IKEE O=C1/C(=C\c2c[nH]c3ccccc23)SC(=Nc2cccnc2Cl)N1C1CCCCC1 1772732526 FQMPIGWQSMFCQD-XDXPSGJKSA-N 436.968 6.153 30 10 IKEE Cn1cccc1/C=C1/SC(=Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C1=O 1772742866 DUYSCDJGEZLWET-YCWTWADVSA-N 428.344 6.141 30 10 IKEE CCCCCCCCc1ccc(CC[C@]2(CO)CN[C@H](c3ccc(OC)cc3)O2)cc1 1848434887 YMEALZCJALPJPV-RRPNLBNLSA-N 425.613 5.581 30 10 IKEE Cc1ccc(NC(=S)N/N=C\c2cn(-c3ccccc3)nc2-c2ccccc2)cc1C 1857811554 VKRWGSWHIJXRGJ-QQXSKIMKSA-N 425.561 5.477 30 10 IKEE Fc1ccc(/C=N/NC(=S)NC2CCCCCCCCCCC2)cc1Br 1860498262 SRFDCTUTABOZPJ-HZHRSRAPSA-N 442.442 6.060 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)CCc1ccc(Cl)cc1)[C@@H](C)CC 1861110513 DEEMYEPVPJEDFC-RDPSFJRHSA-N 437.068 6.060 30 10 IKEE CCCCCCCCNC(=O)[C@@H](NC(=O)/C=C/c1ccc(OCC)cc1)c1ccccc1 1861581874 RJNZKZQYEVCGSU-GDNFTRMYSA-N 436.596 5.433 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1cccc(OC)c1 1862384883 CHPNOIWHQDVNFH-LJQANCHMSA-N 434.319 5.380 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccccc1F 1862411799 PIRAABDUZCOLDR-RCDICMHDSA-N 437.417 5.443 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccncc2)cc1 1862433111 VGWOZZXAAFKVDR-QHCPKHFHSA-N 446.934 5.637 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(C)cc1 1862441239 CRBJVFKPOSXJHD-QFIPXVFZSA-N 441.955 5.434 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)cc1 1862445317 SJSSCZCZNDJKEN-RBQRDFNRSA-N 439.939 5.506 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCC(C)C)c1 1862465763 VVGQPNQNUPSIRT-HXUWFJFHSA-N 442.353 5.382 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2cccc(Cl)c2)ccc1F 1862502495 BIBNIFPVNOAMSV-QFIPXVFZSA-N 441.930 6.089 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cccc(C)c1 1862507331 JBKMRXWPVGUKQN-ZJSXRUAMSA-N 437.555 6.380 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccc(OCCC)cc2)cc1 1862520581 LKOZSUAGAUOQOB-QHCPKHFHSA-N 435.520 5.005 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@@H]2c2ccc(F)cc2)cc1 1862529907 LBIFLOAXSARVAC-XMMPIXPASA-N 445.490 5.175 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(C(F)(F)F)cc1 1862551064 PFVIVWJXAAQWSM-OAQYLSRUSA-N 443.465 5.573 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C2CCCCC2)c1 1862616970 TUAJEUCSCXLGJG-XMMPIXPASA-N 447.575 5.904 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc2cc[nH]c2c1 1862679014 UCJIPBYRGKTEKD-URXFXBBRSA-N 448.538 6.244 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 1862691204 YSIDMRKUPIKJCG-FQEVSTJZSA-N 446.330 5.523 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2cccc(Cl)c2)c1 1862701116 WNEKKJHXDUUMCF-JOCHJYFZSA-N 439.939 5.650 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(C)cc1 1862722714 XMDMJEWLLLMISR-CLOONOSVSA-N 425.528 6.039 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)cc1Cl 1862743702 DGQQUHPWJQWUBD-GOSISDBHSA-N 449.290 5.280 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cccc(F)c2)=C(c2ccc(C)cc2)C1=O 1863261331 FELHQZRQTXZYHX-UHFFFAOYSA-N 436.571 6.467 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCOCCCC)=C(c2ccc(C)c(C)c2)C1=O 1863608136 TZMXJMVCSHOWQQ-UHFFFAOYSA-N 442.644 5.540 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N2CCN(c3ccccc3)CC2)nn1C(C)(C)C 1869964328 OATDHYLNUIWOQK-UHFFFAOYSA-N 440.636 5.049 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccccc2Cl)cn1CCCCCC 1870341443 AXSDZWVJJLDQAB-UHFFFAOYSA-N 429.004 5.835 30 10 IKEE CCCCCCCCn1cc(OCC(C)C)c(=O)cc1CN(CCCC)CCCCCC 1870436238 QMNWEGNUXNFMCM-UHFFFAOYSA-N 448.736 7.426 30 10 IKEE CCCCCCCOc1cn(C[C@@H]2CCCO2)c(CNc2ccccc2CC)cc1=O 1870833905 ZGXYIWQDFUSOLE-QHCPKHFHSA-N 426.601 5.551 30 10 IKEE C=CCn1cc(OCc2c(F)cccc2Cl)c(=O)cc1CNc1ccc(F)c(F)c1 1871089305 FHVWUNMFCSHVQH-UHFFFAOYSA-N 434.845 5.296 30 10 IKEE CC(C)OCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(C(C)(C)C)cc1)C3=O 1871346150 IZHXESXRUPAWPL-IWIPYMOSSA-N 435.564 5.567 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O3)CN(Cc1ccccc1F)CO2 1871346922 JOQAUGHOUUYBDM-JJFYIABZSA-N 446.434 5.011 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccccc1)C3=O)CN(C[C@@H](O)c1ccc(Cl)cc1)CO2 1871359056 GUSKMHQHHJJFMD-YHZJANHJSA-N 447.918 5.150 30 10 IKEE Cc1cccc(CN2COc3c(cc4c(c3C)O/C(=C\c3ccc(N(C)C)cc3)C4=O)C2)c1 1871359101 IKJXUEILWCZTGF-MXAYSNPKSA-N 440.543 5.338 30 10 IKEE Cc1c(OC(=O)c2cccc3ccccc23)ccc2c1O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871377893 JPTPRDXKMSPICK-PKAZHMFMSA-N 448.518 7.107 30 10 IKEE CC(C)COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)c1 1871379494 SMIPZILBYOWKES-MSXFZWOLSA-N 432.447 5.696 30 10 IKEE C=CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)c1 1871388804 LKPCEUBWXCUCOY-QRVIBDJDSA-N 430.431 5.534 30 10 IKEE C=CCN(CC=C)Cc1c(O)cc(C)c2c1O/C(=C\c1ccc(Cl)cc1Cl)C2=O 1871393590 XVYKBBVDPFTQLF-JAIQZWGSSA-N 430.331 5.798 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)OC(C)C)cc(C)c3C2=O)cc1 1871400596 FZEPIZSJLYZYPZ-NLKUQUHMSA-N 437.536 5.176 30 10 IKEE CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O 1871401829 ACRTUEGCXLGESO-HSMAQGNYSA-N 435.501 5.169 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccco2)C3=O)cc1Cl 1871401949 ODGZSPZVCKMHMF-OFNOZLENSA-N 437.879 5.572 30 10 IKEE CCOc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871452092 DDZRINJUJGVUPV-AJRXITOCSA-N 441.483 5.275 30 10 IKEE CCCCCCCCCCN=c1nc(N(C)CCCC)[nH]c(=Nc2cc(C)cc(C)c2)[nH]1 1871549477 ZTJKWMOHNWHYCA-UHFFFAOYSA-N 440.680 5.865 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(F)cc1 1872512988 GAGJUCLZDDZHEQ-HSZRJFAPSA-N 446.588 5.207 30 10 IKEE C[C@H](c1ccccc1)N1C[C@H](C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)CC1=O 1872767141 SZPKFCCPRCDWIE-ZTNFWEORSA-N 449.963 5.249 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)c2cccc(NC(C)=O)c2)n1 1872776916 AOUVKHKFMGPSBE-HXUWFJFHSA-N 447.560 5.565 30 10 IKEE C=CCc1ccccc1OCc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1 1872870631 KSHHKHLAPQIOEL-UHFFFAOYSA-N 425.572 6.089 30 10 IKEE C=CCc1ccccc1OCc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 1872870766 QWDUEUOGDOVQBC-UHFFFAOYSA-N 447.578 6.837 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Cl)cc2C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422773 OCTOLMHRQJVOCD-UHFFFAOYSA-N 445.950 5.434 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)cc2C)cc2c(NCc3ccccc3F)ncnc21 1873636944 GLXNLJBTYIKRBS-UHFFFAOYSA-N 429.499 5.238 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)c(Cl)c2)cc2c(N(CC)CCCC)ncnc21 1873654594 MDCCISLNQUBOBC-UHFFFAOYSA-N 425.964 5.458 30 10 IKEE CCCSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1ccc(C)cc1 1874198462 CMHPXNABJXBKFP-ZXVVBBHZSA-N 444.604 6.136 30 10 IKEE CCCSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1ccccc1F 1874198601 JUTGUZKTZWIOHC-OVVQPSECSA-N 448.567 5.966 30 10 IKEE CCSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1ccc(Cl)cc1Cl 1874330438 UKGFIGRQMGDWII-ZMOGYAJESA-N 433.408 5.981 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1cccnc1 1874336520 IDXRXMDVMQXVOZ-CVKSISIWSA-N 433.968 5.400 30 10 IKEE CCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1c(Cl)cccc1Cl 1874340004 YAJZHDWGIBBJNV-SSDVNMTOSA-N 425.772 5.823 30 10 IKEE C(=N/n1c(CCOc2ccccc2)nnc1SCCc1ccccc1)\c1ccccc1 1874346626 YCLBGFLQDIAZOU-LHLOQNFPSA-N 428.561 5.117 30 10 IKEE Clc1ccc(/C=N/n2c(CCOc3ccccc3)nnc2SCc2ccccc2)cc1 1874347647 YXLVSKKCTXRCOE-YZSQISJMSA-N 448.979 5.728 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2ccccc2C)cc1C 1874358483 KBPSAGSAFJCINF-TURZUDJPSA-N 440.616 6.011 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1cccs1 1874361650 ZFXDKOQJGVNXBS-MFKUBSTISA-N 436.581 5.747 30 10 IKEE C(=N/n1c(CCc2ccccc2)nnc1SCc1cccc2ccccc12)\c1ccccc1 1874404853 SIOORAVUSVBNJK-ZTKZIYFRSA-N 448.595 6.391 30 10 IKEE Fc1cccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2c[nH]c3ccccc23)c1 1874406961 YLDFSSFBQYLPGC-LQKURTRISA-N 447.583 6.196 30 10 IKEE Fc1ccc(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2c(F)cccc2Cl)cc1 1874442397 BDTXAGGVWXXBOQ-DAFNMPDCSA-N 434.899 5.236 30 10 IKEE Cn1cccc1/C=N/n1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccco1 1874467853 FSXDSGNJMQIIPM-SSDVNMTOSA-N 432.336 5.358 30 10 IKEE C=C(C)CSc1nnc(C(C)(C)C)n1/N=C/c1ccc(OCCCCC)c(OC)c1 1874481623 GFEBWVWJWPIOMD-BUVRLJJBSA-N 430.618 5.704 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)C)n2/N=C/c2ccc(C(F)(F)F)cc2)c1 1874490009 VINLFZYMYMFJEC-UVHMKAGCSA-N 446.542 6.287 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1cccc(OC)c1OCC 1874508289 VIIVGKVTDOLJCG-ZVHZXABRSA-N 444.988 5.466 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc2c(c1)OCCO2 1874514631 CUMNCZDXWSHMQO-FSJBWODESA-N 428.945 5.001 30 10 IKEE CCCCCCOc1ccc(/C=N/n2cnnc2SCCc2ccccc2)cc1OC 1874538810 XYCJWGWXMLYLOK-NLRVBDNBSA-N 438.597 5.463 30 10 IKEE Cc1ccc(COc2ccccc2/C=N/n2c(S)nnc2Cc2ccc(C)cc2)cc1 1874561354 ODAKTPCZKIHUIH-WGOQTCKBSA-N 428.561 5.236 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(F)c(C)c1 1874580176 AQLJUSQSWNIZFH-WYMLVPIESA-N 447.550 6.211 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)c1OCc1cc(C)ccc1C 1874581738 DKBWQGVRDZVMGT-PKNBQFBNSA-N 430.500 5.558 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 1874597973 NABLSRVXJKSBSJ-GXDHUFHOSA-N 445.515 6.376 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Br)c2)ccc1OCc1ccc(C)cc1 1874610664 FHRODAFZWYIYGY-ZRDIBKRKSA-N 437.333 6.241 30 10 IKEE CCCCCCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1C[C@@H](C)C[C@@H](C)C1 1874649833 BQRRAQHQUFSKNI-TYBLODHISA-N 439.644 5.450 30 10 IKEE CCCCCCCCC(=O)Oc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OC 1874693605 NNIRGFDVCTXDQA-NBVRZTHBSA-N 448.603 7.126 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1OC(=O)c1cccc2ccccc12 1874698536 AZSWHJGBDPBPIY-UKTHLTGXSA-N 444.433 6.242 30 10 IKEE O=C(CC12CC3CC(CC(C3)C1)C2)Oc1cccc(/C=C/C(=O)c2ccc(F)cc2F)c1 1874699693 ILLMAPPWDJRPCH-QPJJXVBHSA-N 436.498 6.373 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1OC(=O)Cc1ccccc1F 1874706050 NAVZPBTXURDPLZ-OQLLNIDSSA-N 446.518 6.176 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3c(F)cccc3Cl)c2)cc1Cl 1874716885 NTBHJXCBFKDZDH-CSKARUKUSA-N 445.273 6.256 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(OC)c1OC(=O)c1ccco1 1875095748 FQLSFJGFBFTTLC-SDNWHVSQSA-N 438.479 6.285 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)c1sccc1C 1875120433 TZHCKLAVXRHXBD-QPJJXVBHSA-N 444.455 5.467 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)c2sccc2C)cc1 1875161643 ZXVXIENRPCUITJ-XYOKQWHBSA-N 434.557 6.478 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1Cl 1875175365 LSQGUCDWYWIJEA-NTCAYCPXSA-N 426.984 7.509 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)Cc1ccccc1Cl 1875177130 VVGWBAVMXRPETC-JLHYYAGUSA-N 448.946 6.400 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N1CCC[C@@H](C)C1)n2CC(C)C 1875210653 OBANIRHOSNIPBU-HXUWFJFHSA-N 427.637 5.732 30 10 IKEE C=CCn1c(C(=O)N2CCC(Cc3ccccc3)CC2)cc2c(NCCCCC)ncnc21 1875228708 AJDQWRSQTCISLF-UHFFFAOYSA-N 445.611 5.314 30 10 IKEE CCN(CC)c1cccc(OCC#CCNC(=O)C2CC3(C2)CC(c2ccccc2)C3)c1 1891108202 LODZPOTURHPKHW-UHFFFAOYSA-N 430.592 5.005 30 10 IKEE C=CCC(CC=C)OC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC 1899335825 VLVATLMLYSWTHO-SIBVEZHUSA-N 447.575 6.004 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC[C@H](CCC)CCNC(=O)OC(C)(C)C)NCCC 1922078316 VSYJPQDEXYIYOE-ZCYQVOJMSA-N 446.676 6.239 30 10 IKEE CCCCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](F)C(=O)O 1927456433 VJNSQFAIIRSPPI-XZOQPEGZSA-N 427.516 5.677 30 10 IKEE C=C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(C)(C)C)C(F)(F)C(=O)O 1927481280 FKCQQEHKGWPFQX-HSZRJFAPSA-N 429.463 5.216 30 10 IKEE CCC[C@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 1945772205 HLUIFNMBXSHKKK-APWZRJJASA-N 435.540 5.400 30 10 IKEE C=C1CCC(CC(=O)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)CC1 1997461251 KULXUFQNFAQJFU-SANMLTNESA-N 427.585 5.536 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CN(C(=O)OC(C)(C)C)CC[C@@H]2C)cc1 1999945905 UCCUXWDJVBOFJO-UUOWRZLLSA-N 429.561 5.276 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@@H](C#N)[C@@]1(C)CCCN1C(=O)OC(C)(C)C 2020804998 VYRZHPYDGYDGPY-FDDCHVKYSA-N 433.524 5.249 30 10 IKEE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2037935823 MVPZPLPOACBALH-WAQNLRHXSA-N 437.559 5.618 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@]1(O)CCC(C)(C)C[C@H]1OCc1ccccc1 2043836726 KHNZQMOELWGSMU-FULLSBAXSA-N 437.624 5.264 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C1(C)C 2068177345 DNKFGDVYQTVIHM-DEOSSOPVSA-N 447.551 5.639 30 10 IKEE CC[C@H]1CC=C(C(=O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CC1 2071341014 NXQFADPZZLCKPL-QFIPXVFZSA-N 426.556 7.164 30 10 IKEE N#C[C@@H](c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)N1CCCCCC1 2071352962 CONYMHKCESHCQK-SANMLTNESA-N 426.560 6.285 30 10 IKEE CC(C)c1cc(C(F)(F)F)ccc1-n1nc(C2CCCCC2)c(C#N)c1Br 2080311635 QGWKWQAJMIXRPU-UHFFFAOYSA-N 440.307 6.696 30 10 IKEE COC(=O)c1c(C(F)(F)F)nn2c(Cl)cc(-c3ccc(C(F)(F)F)cc3F)nc12 2081281276 ACVGWRXXNNIIEA-UHFFFAOYSA-N 441.690 5.013 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(F)c(Br)c(F)c1 2142154392 AIAXPMNZMTWGOO-RDJZCZTQSA-N 433.337 5.237 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)C1(C#N)CCC2(CCNC2)CC1 2155994916 KCQCYVTZFRKVOI-UHFFFAOYSA-N 434.378 5.007 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)C1(C#N)CCN(C(C)(C)C)CC1 2158731277 XQTMDWDYLRJOLG-UHFFFAOYSA-N 436.394 5.347 30 10 IKEE CC(C)(C)OC(=O)N[C@H](CNc1cc(Br)c(C#N)cc1F)c1ccccc1 2162350502 MXVDLOYONFNTQB-GOSISDBHSA-N 434.309 5.138 30 10 IKEE C[C@H]1Cc2ccccc2[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2185486663 RBLICZYRCMUIMY-OYHNWAKOSA-N 427.342 5.802 30 10 IKEE C#CC[C@@H](C[C@H](NCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C)C1CC1 2196849776 RKMLWDJKGJWSIY-LPHOPBHVSA-N 435.406 5.886 30 10 IKEE C=CCCC[C@H](NCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229121771 BRRBYQKJSXMIOX-RBUKOAKNSA-N 425.411 5.219 30 10 IKEE CCCC[C@H](C[C@H](C#Cc1ccccc1Br)NCC)NC(=O)OC(C)(C)C 2235719478 NNBMKKKYWVCMHQ-RBUKOAKNSA-N 437.422 5.252 30 10 IKEE CN[C@H](C#Cc1ccccc1Br)c1ccc(Cl)c(NC(=O)OC(C)(C)C)c1 2235722537 AKXWCDFKNDLLRN-GOSISDBHSA-N 449.776 5.762 30 10 IKEE CCCC#CC[C@@H](NCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237408313 DKDNMXDVRORTQK-UXHICEINSA-N 437.422 5.057 30 10 IKEE CCCN[C@H](C#CC1CCCCC1)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2260979706 GIBZEKXHOXNIIG-JWQCQUIFSA-N 442.644 5.439 30 10 IKEE C#CCOc1ccc2ccccc2c1C=C1SC(=Nc2ccccc2)N(CCOC)C1=O 2294025325 GLMWMVMHVCLXCJ-UHFFFAOYSA-N 442.540 5.102 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H](C)CCCNC(=O)OC(C)(C)C 2296311650 ZSWHPAWFQLSKPY-PXNSSMCTSA-N 437.422 5.110 30 10 IKEE CCOc1ccc([C@@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 2296771989 XINCQOIJQABJQG-HSZRJFAPSA-N 447.918 5.673 30 10 IKEE CCN1C(=O)C(=C2Sc3ccccc3N2C)SC1=Nc1cc(C(C)C)c(O)cc1C 2297507262 JRCSBPUQZUADDP-UHFFFAOYSA-N 439.606 5.818 30 10 IKEE COc1ccc(C=C2SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)c(OC)c1 2297629185 VIRQWYGGWLVQLB-UHFFFAOYSA-N 430.529 5.508 30 10 IKEE COc1cc(C=C2C[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cc2c1OCO2 2297736764 FBJLPYMCBZFUML-KCELBLCESA-N 436.592 6.419 30 10 IKEE CCN=C1SC(=Cc2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1CC 2313556073 LKAFLXKTZVHHHU-UHFFFAOYSA-N 448.548 5.218 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCc4c(Cl)cccc4Cl)ccc3C2=O)cc1 2314438002 DJNUEBJLMPUDDU-UHFFFAOYSA-N 441.310 6.587 30 10 IKEE CCOc1ccc2c(c1)OC(=Cc1ccc(OC(=O)C=Cc3ccccc3)c(OC)c1)C2=O 2314527343 RAZFZLJHUSYZKE-UHFFFAOYSA-N 442.467 5.329 30 10 IKEE Fc1ccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C2CC2)c(F)c1 2320867944 KNSHSEJUJRGOTN-UHFFFAOYSA-N 439.318 5.915 30 10 IKEE Cc1ccc(COc2ccc(C=Nn3cnnc3SCc3cccc(Cl)c3)cc2)cc1 2321323519 HYXANHIMIXLFPK-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE C[C@H]1CCCC[C@@H]1N1COc2ccc3c(c2C1)OC(=Cc1c(F)cccc1Cl)C3=O 2322146051 RFHOCYFKQFJPEM-XOBRGWDASA-N 427.903 5.826 30 10 IKEE Cc1ccc(OCc2nnc(S)n2N=Cc2c(F)cccc2Cl)c(C(C)(C)C)c1 2322260393 LMELGKDJGABREJ-UHFFFAOYSA-N 432.952 5.426 30 10 IKEE COc1ccc(C=C2Oc3c(cc4c(c3C)OCN(C3CCCCCC3)C4)C2=O)cc1OC 2322356734 FEZBLCCYQPXQEZ-UHFFFAOYSA-N 449.547 5.503 30 10 IKEE C[C@H](NC(=O)COc1ccccc1C=CC(=O)c1cccc2ccccc12)c1ccccc1 2322712015 WCFKUVHSJZAESJ-NRFANRHFSA-N 435.523 5.992 30 10 IKEE Cc1ccc(C(=O)C=Cc2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)cc1C 2322890055 RFUQHJWIIVKRKT-UHFFFAOYSA-N 437.495 6.840 30 10 IKEE Cc1cc(OC(=O)Cc2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1cccc(Cl)c1)O2 2322894454 VXVFIWQDGHXNOS-UHFFFAOYSA-N 439.294 6.066 30 10 IKEE CCCOc1ccccc1C=CC(=O)Oc1ccc2c(c1)OC(=Cc1cccc(C)c1)C2=O 2323341425 XJVOKSHKSGBIMU-UHFFFAOYSA-N 440.495 6.019 30 10 IKEE CCOc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1 2323511283 JLCSBLPVOVEFBG-UHFFFAOYSA-N 430.431 5.459 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Cl)c(OCC(=O)NCCC)c(OC)c2)cc1 2323536159 RKORBFJJMYZLJE-UHFFFAOYSA-N 443.971 5.492 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OCc2c(F)cccc2Cl)c(Cl)c1 2323701246 VBQRDACSVLMNNP-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1 2323791352 UUJIVROYFGWDOC-UHFFFAOYSA-N 427.327 6.867 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OCC(=O)N[C@H](C)c1ccccc1 2323985423 URIBXULVJFBHTI-LJQANCHMSA-N 447.506 5.295 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1C 2324055395 JHFJUDVCGLHBAH-UHFFFAOYSA-N 441.571 6.515 30 10 IKEE CCCCCCOc1cc(C)c2c(c1)OC(=Cc1cc(Br)ccc1OC)C2=O 2324262014 LKOCHOCZGCRNGH-UHFFFAOYSA-N 445.353 6.341 30 10 IKEE COc1cccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccc(F)cc4)cc(C)c3C2=O)c1 2324317492 AGZDXDINGXXLCA-INIZCTEOSA-N 447.462 5.165 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1ccc2c(c1C)OC(=CC=Cc1ccccc1)C2=O 2325093174 KLKPXQQGCPOAAJ-HSZRJFAPSA-N 448.559 6.448 30 10 IKEE Clc1cccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccccc2)c1 2325448667 WKABFTATKLZMMX-UHFFFAOYSA-N 432.980 5.891 30 10 IKEE CCCc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc(F)cc3F)c2)cc1 2325726045 XBQDIUZZXFZEKR-UHFFFAOYSA-N 436.454 5.798 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2sccc2C)C3=O)cc1C 2325738936 ZGQQSLMCTGLAOI-UHFFFAOYSA-N 433.529 5.615 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OC(=O)c1cccc([N+](=O)[O-])c1 2325741489 OOGXWMKFMVZTRO-UHFFFAOYSA-N 435.407 5.166 30 10 IKEE Cc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccccc1OCC(C)C 2326635508 BQIWXVSCISIWOZ-UHFFFAOYSA-N 430.577 5.949 30 10 IKEE CCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccc(C(=O)O)cc1 2326927010 OUGUVXNLKXVZIX-UHFFFAOYSA-N 438.597 5.120 30 10 IKEE CCSc1nnc(COc2ccccc2OC)n1N=Cc1c(OC)ccc2ccccc12 2328261646 PMMHJXWOQSAPPB-UHFFFAOYSA-N 448.548 5.022 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccccc3)nnc2[C@H](C)c2ccccc2)cc1O 2330109145 JWXQXYOVVVBPRJ-GOSISDBHSA-N 444.560 5.319 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(CC)cc3)cc2Cl)cc1 2330747622 SKZCJBFTXAKDEA-UHFFFAOYSA-N 446.974 6.899 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c(OC)c2)cc1 2330770503 WYCPYDOATOMCFN-UHFFFAOYSA-N 445.471 5.590 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1[N+](=O)[O-])c1ccc(F)cc1F 2330935041 ISSTZZZSBIMFQO-UHFFFAOYSA-N 443.789 5.642 30 10 IKEE CN(C)c1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CCCC2)cc1 2331093092 OCWOJKVWYWYSGX-UHFFFAOYSA-N 440.016 5.830 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC(=O)CCc1ccccc1C 2331158145 YJWHDZYDCZVYMT-UHFFFAOYSA-N 434.919 6.091 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3ccccc3Cl)cc2)cc1 2331259103 LHPDPRWHCPQISP-UHFFFAOYSA-N 434.919 6.309 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cccc4ccccc34)cc2)cc1 2331489958 NQXJHCAIILDNAB-UHFFFAOYSA-N 434.535 7.007 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1OC(=O)C1CCCC1 2331533380 QILLDXXBYRZXJE-UHFFFAOYSA-N 427.428 5.124 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Br)c1OC(=O)CC 2331569137 BYIDVFSPSNWIPN-UHFFFAOYSA-N 439.252 5.338 30 10 IKEE CC(C)c1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1cccc(Cl)c1 2331705585 IUVBPDVHGBOQRM-UHFFFAOYSA-N 439.799 6.536 30 10 IKEE COc1cc(Br)c(Br)c(/C=N/c2ccc(C)c(Cl)c2)c1O 1509902 OQLIYUXTIFIWAA-FBCYGCLPSA-N 433.527 5.638 30 10 IKEE O=C1/C(=C\c2ccc(Br)cc2)CCC/C1=C/c1ccc(Br)cc1 12367712 HXRSOYCNABLYMF-MCOFMCJXSA-N 432.155 6.432 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(C(C)(C)C)cc2)cc1 20882959 RWMNAEAZUSRDSH-OFNKIYASSA-N 431.576 5.777 30 10 IKEE O/C(=N\c1nc2ccc(OC(F)(F)F)cc2s1)c1c[nH]c(=S)n1-c1ccccc1 28835760 WBZHPOHHEMTDBX-UHFFFAOYSA-N 436.440 5.679 30 10 IKEE CCOc1ccc2oc(C)c(C(=O)Oc3ccc(C(=O)/C=C\c4cccs4)cc3)c2c1 34954344 IGLLHTUWANCPRQ-QXMHVHEDSA-N 432.497 6.317 30 10 IKEE C=CCC[C@@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC 36305901 KZILNBPWUIAVBO-JOCHJYFZSA-N 449.595 5.427 30 10 IKEE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\Oc3ccc(C)cc3C2=O)cc1 39842434 JGYCZUBKKOJRNX-ONUIUJJFSA-N 436.511 6.253 30 10 IKEE Cc1occc1C(=O)Nc1ccc(C(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)cc1 39850894 ICXTWJYADQKJPS-ZRDIBKRKSA-N 431.875 6.650 30 10 IKEE C=CCc1ccccc1OCCCn1c([C@@H](C)NC(=O)C(CC)CC)nc2ccccc21 40189458 WPNJGBJOAJGWSQ-HXUWFJFHSA-N 433.596 5.847 30 10 IKEE C=C1/C(=C\C=C2/CCC[C@]3(C)C([C@@H](C)C/C=C/C(O)(CC)CC)=CC[C@@H]23)C[C@@H](O)C[C@@H]1O 40434399 XDBOQJCMEXOPMU-GJQYOBCGSA-N 440.668 6.181 30 10 IKEE in-man COc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1OC 41289655 QTKFWHYATASXCX-VQUKJFRASA-N 442.467 5.404 30 10 IKEE Cc1ccccc1/C=C1\S/C(=N/N=C\c2ccc(N(C)C)cc2)N(Cc2ccco2)C1=O 47139246 MJHMVHFIVFHDLO-YWDMMNGVSA-N 444.560 5.161 30 10 IKEE CCOc1ccc(C(=O)/C=C\c2cn(C[C@@H](O)CN3CCCCCC3)c3ccccc23)cc1 96498732 REJABDIKGFAATL-LFRSYBKYSA-N 446.591 5.173 30 10 IKEE CCCCCCCOc1ccc(NC(=S)NC(=O)c2ccccc2OCCCC)cc1 100155639 BEIXEYQQXWBTGP-UHFFFAOYSA-N 442.625 6.342 30 10 IKEE C=CCSc1nnc2c(n1)O[C@H]([C@@H]1C[C@@H]3C(=CCCC3(C)C)C[C@@H]1C)Nc1ccccc1-2 103554761 FFPWFNSTHNZZLR-FDSZKQNJSA-N 448.636 6.356 30 10 IKEE biogenic COc1ccc(/N=C2/S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2ccccc2)cc1 104005719 OAJMJRWJQMVKLI-DIQLGICBSA-N 445.569 5.874 30 10 IKEE CCOc1ccc(/C=C2/Oc3cc(OCc4ccc(C(=O)OC)cc4)ccc3C2=O)cc1 110529225 SFXFCHCHHVASJJ-ZVHZXABRSA-N 430.456 5.067 30 10 IKEE COc1cc(/C=N\Nc2nc3ccccc3s2)ccc1OCc1ccc(C(C)(C)C)cc1 169890313 SYABAVHVAAVNOM-YUMHPJSZSA-N 445.588 6.627 30 10 IKEE COc1cc(/C=N\Nc2nc(C(C)C)cc(=O)[nH]2)ccc1OCc1ccc(C(C)(C)C)cc1 169896432 VPFRCCBHIKYRCG-DICXZTSXSA-N 448.567 5.224 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccc(C)cc2C)c1 169935562 ZPVHJUWSRLKSQY-DEOSSOPVSA-N 445.490 5.542 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccc(O)cc2)c(C)c1 169962981 GFDXRLNLCIQKLS-AREMUKBSSA-N 449.506 5.945 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2cccs2)cc1 169989421 GBCNHMBVRGTMTB-JOCHJYFZSA-N 435.520 5.271 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1CCCOC(C)C 170107672 XREIERITRDHFMP-HXUWFJFHSA-N 439.533 5.196 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccc(C)c2)cc1C 170139223 YCEVMIAIQQFJCC-QFIPXVFZSA-N 433.529 5.152 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccncc2)cc1C(C)C 170200748 WTXHSRUSVWVARJ-DEOSSOPVSA-N 442.515 5.305 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccccc2)cc1C 170225311 KPVAQMCECKSITQ-AVRWGWEMSA-N 439.511 5.410 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2C)[C@@H]1c1ccco1 170284147 HOUYWZFZZKORNX-HXUWFJFHSA-N 441.842 5.172 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(Cl)c3)[C@@H]2c2ccco2)cc1C 170285000 ZXYLCYNTIKRESJ-FQEVSTJZSA-N 442.298 5.986 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccco2)cc1Cl 170288315 KYNHCCUTYDIRRY-HSZRJFAPSA-N 443.886 6.178 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2c2ccccc2)o1 170302910 NTKKGOUTAZUQJT-QHCPKHFHSA-N 431.488 5.467 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(OC)cc2)c1 170409561 XTMVTMLNBQLMHN-DEOSSOPVSA-N 443.499 5.267 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1cccs1 170422764 RQYVCJIMARTBQR-GOSISDBHSA-N 445.327 5.228 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1cccc(Oc2ccccc2)c1 170456855 NQFQRXJCUBPDCT-QHCPKHFHSA-N 442.515 5.385 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc(OCc2ccccc2)c1 170457608 QCCUHYVSMJDSCH-RUZDIDTESA-N 445.515 5.369 30 10 IKEE CCOc1cccc(C=Nc2ccc3oc(-c4cccc(Br)c4)nc3c2)c1O 252614194 JGVNGGKGSNSQAK-UHFFFAOYSA-N 437.293 6.112 30 10 IKEE CN1/C(=C2/SC(=Nc3ccccc3)N(c3ccccc3)C2=O)Sc2ccc(Cl)cc21 252618126 LEGFWWCGZGFWME-XJIBWINFSA-N 449.988 6.519 30 10 IKEE C=CCn1c(SCCCCOC(=O)C(F)(F)F)nnc1-c1ccc2ccccc2c1 253566592 JCZHROKTLRBBQG-UHFFFAOYSA-N 435.471 5.262 30 10 IKEE CCN1/C(=C2\SC(=Nc3cccc(C)c3)N(C3CCCCC3)C2=O)Sc2ccccc21 254293012 DPUUKHIHTTXBCO-CJKMRZRNSA-N 449.645 6.692 30 10 IKEE CC[C@@H](C)c1ccc(OCCCOc2ccccc2C=NNc2ccc([N+](=O)[O-])cc2)cc1 254615945 ZEOQAZHMZKHYCM-HXUWFJFHSA-N 447.535 6.402 30 10 IKEE Cc1nc(NN=C2C[C@H]3C[C@H]2[C@@H](C)C3(C)C)sc1C(=O)Nc1cccc([N+](=O)[O-])c1 254757321 KEQZDFJKOYAAEQ-KFNAQCHYSA-N 427.530 5.082 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)cc2)ccc1OC 526707546 HSEXEESVNFLXLA-HSZRJFAPSA-N 447.462 5.016 30 10 IKEE C[C@@H]1CCCC[C@@H]1N(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(Br)cc1 586126440 OREPHEOBISGCLS-IERDGZPVSA-N 447.398 5.090 30 10 IKEE C=C(C)CN(c1ccc(N2CCC(C)CC2)cc1)S(=O)(=O)c1cc(C)ccc1OC 586247685 RTCGHAKOYBSQNE-UHFFFAOYSA-N 428.598 5.011 30 10 IKEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 586711536 ZKCHPDKYKCXBGI-UHFFFAOYSA-N 437.849 5.817 30 10 IKEE C=CCCCCC[C@@H](O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 686832130 LDUZIVXGUROZNU-HSZRJFAPSA-N 430.633 5.433 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)CC1(C)C 698371790 GBDWDOLWJJNPNG-VWLOTQADSA-N 443.588 5.496 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)COCc2ccccc21 698445624 PMQSZQTXBLUIPM-OAQYLSRUSA-N 429.314 5.140 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2ccc(OCc3ccccc3)cc2)c1 698483631 DIRAUPWNMIJMFW-RUZDIDTESA-N 444.531 6.281 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1ccc(Br)c(F)c1 698486791 RAOIALHKRGOFMC-QGZVFWFLSA-N 435.293 5.603 30 10 IKEE C[C@H]1N(C(=O)OC(C)(C)C)CCC[C@@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 698899434 JVLMNFVEGPCKJA-ZHRRBRCNSA-N 435.590 5.167 30 10 IKEE CCCCCCCCC[C@H](N)c1ccc(I)c(Br)c1 721629642 MSYBQKLLHJNLMT-INIZCTEOSA-N 438.191 6.194 30 10 IKEE Cc1ccc(NS(=O)(=O)c2ccc(N=Cc3cccc(Cl)c3Cl)cc2)c(C)c1 1084195385 NBAIWSBCODKDND-UHFFFAOYSA-N 433.360 6.162 30 10 IKEE C=CCCCCCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCC[C@@H]1C 1690449401 GCZKXSNZKGRGFF-RBUKOAKNSA-N 434.588 5.213 30 10 IKEE COC(=O)c1ccc(/C=C2\SC(=Nc3cccc(C)n3)N(C3CCCCC3)C2=O)cc1 1772739618 XPTHHYGLLKECOP-UTXXGPSKSA-N 435.549 5.113 30 10 IKEE CCCOc1ccc(CC(=O)Nc2ccc(CC(=O)Nc3ccc(C#N)cc3)cc2)cc1C 1860888397 KNJDNRVGTYJWCJ-UHFFFAOYSA-N 441.531 5.018 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(C)(C)C)cc1 1861564427 HSSWTYFYFAMJKE-AOVJHHBVSA-N 440.672 6.245 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1cc(Cl)cc(Cl)c1 1862417252 XMUMVSSRSIHXAW-GOSISDBHSA-N 440.273 5.506 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1cccc(Cl)c1)c1cccc(Cl)c1 1862445721 BXAZCONPTOQRIG-OAQYLSRUSA-N 444.358 6.295 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccccc1C 1862489861 IXBKSTJMBJAPNU-XMMPIXPASA-N 435.564 5.397 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccc(O)c1 1862490014 LZHHAOKIGFVMRY-RDPSFJRHSA-N 435.564 5.946 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccccc2Cl)c1 1862490783 DJUVITIQKLZYMC-LXBDKUERSA-N 437.967 6.114 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(F)cc1 1862501487 DBBOBTUMZNLUKR-QHCPKHFHSA-N 441.518 6.212 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc3ccccc23)ccc1F 1862505128 KTPSVMHYMYOFTC-DEOSSOPVSA-N 429.491 5.808 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2c(F)cccc2Cl)ccc1F 1862505389 OGLWNYSUHDONIV-HXUWFJFHSA-N 431.866 5.448 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc(Br)cc2)ccc1F 1862511472 LLSSYLWPSKSMFE-LJQANCHMSA-N 446.316 5.131 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2cccc(Cl)c2)cc1 1862516886 ZORAFYYVCQNFIU-BTYIYWSLSA-N 427.928 5.506 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccccc1F 1862530053 MTAHFDTZLYYOPX-RDPSFJRHSA-N 437.555 6.325 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862531245 JNZVUNVJRQFYJS-QFIPXVFZSA-N 436.508 5.316 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1cccc2ccccc12 1862592515 FEGURFCJXQUMNQ-HFJWLAOPSA-N 449.506 5.885 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccccc1F 1862615623 LDPJZZDFRYWKOD-QFIPXVFZSA-N 439.527 5.128 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(N(CC)CC)cc1 1862668279 VGVZGTNFAOGPSX-VWLOTQADSA-N 448.607 6.035 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccccn2)cc1 1862678675 UIIXPKVZKUZLPU-QHCPKHFHSA-N 444.506 5.297 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CC)cc1OCC 1862685440 WTXYNBMCBYFZRJ-JOCHJYFZSA-N 441.499 5.002 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2ccc(F)cc2)cc1 1862687149 GVYCZTATHXXRGW-XMMPIXPASA-N 445.490 5.230 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862703351 UWGREQXMBQBIOU-XDHUDOTRSA-N 443.499 5.043 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2C2CCCC2)cc1 1862757495 ZAYGRUYHKVXOJX-JOCHJYFZSA-N 448.519 5.413 30 10 IKEE N#Cc1cccc(N2C(=O)C(Nc3cccc(Cl)c3)=C(c3cccc4ccccc34)C2=O)c1 1862850641 WLZKHHBVHOGQRZ-UHFFFAOYSA-N 449.897 5.761 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccccc2)=C(c2ccc(F)cc2F)C1=O 1863308493 IZISLDMBUPQDNJ-UHFFFAOYSA-N 440.534 6.298 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(F)cc2F)C1=O 1863315845 VGWJKLYJHQKNAZ-IBGZPJMESA-N 437.490 5.387 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@@H](C)CC)=C(c2cccc3ccccc23)C1=O 1863582876 DHAIXRJPKGCAGT-NRFANRHFSA-N 434.624 6.449 30 10 IKEE C=CCOc1ccccc1/C=C1\C(=O)N(Cc2cccc(Cl)c2)N=C1c1ccccc1 1865666762 RBDBLEUVMKKMDL-QJOMJCCJSA-N 428.919 5.735 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)NC[C@@H](c1ccc(O)cc1)N(C)C 1866029933 PWFUZURWXALXOI-MHZLTWQESA-N 446.720 7.373 30 10 IKEE CCOc1ccc(-c2nc(Nc3ccc(C#N)cc3)cc(N3C[C@H](C)OCC3(C)C)n2)cc1 1868535194 GIWHXKZJVPZLOI-SFHVURJKSA-N 443.551 5.161 30 10 IKEE CCCCCCCCn1cc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c(O)cc1=O 1870118656 NWZSEUFNIUNVSI-DKERFCRFSA-N 428.617 5.249 30 10 IKEE CCCCCCCOc1cn(CCCO)c(CN(CCCC)CCCCCC)cc1=O 1870411603 GZUZGKQFMWEGBU-UHFFFAOYSA-N 436.681 5.762 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(C)cc2)c(CN(CCC)CCC)cc1=O 1870417005 ZKKOWZDBHVZZBK-UHFFFAOYSA-N 426.645 6.176 30 10 IKEE C=CCn1cc(OCCCOc2ccc(OC)cc2)c(=O)cc1CNc1cc(C)cc(C)c1 1871042523 SOQJRHZDEAZOFD-UHFFFAOYSA-N 448.563 5.120 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(F)c(F)c4F)cc(C)c3C2=O)cc1 1871370561 RTWGNERUTZNBLW-JAIQZWGSSA-N 438.401 5.810 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)/C=C/c4ccc(Cl)cc4)c3C)C2=O)cc1 1871375007 OEZJZDPVCGXIAF-XTARUNKESA-N 446.886 5.892 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc(C(F)(F)F)cc3)ccc2C1=O 1871375882 IFPRJHJLZNVJGL-MTJSOVHGSA-N 440.373 5.549 30 10 IKEE Cc1c(Cl)cccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O 1871406062 HFYKPEIYXXNHGE-LQFJMUIISA-N 439.920 5.732 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871409166 YURLRIVDMHTSSN-SUVVMJBMSA-N 447.918 5.979 30 10 IKEE COc1ccc(-c2c(C)c3ccc(OCc4ccc(C#N)cc4)cc3oc2=O)cc1OC 1871417101 BNVXKHCHUSFQOL-UHFFFAOYSA-N 427.456 5.236 30 10 IKEE Cc1ccc(CCOc2cc(C)c3c(c2)O/C(=C\c2ccc(Cl)c(Cl)c2)C3=O)cc1 1871437636 RXHXNHPHAXXFNI-QRVIBDJDSA-N 439.338 6.848 30 10 IKEE Cc1c(OCCC(=O)Nc2ccccc2)ccc2c1O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871446396 BNGMDMIRFOJXRM-UQQQWYQISA-N 441.527 6.142 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(Cl)cc1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1871889810 FKBYXRWNCIFUEB-AOMKIAJQSA-N 449.016 5.187 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)S(=O)(=O)C1CC1 1872326951 YWPPCEOPTWPIQU-QHCPKHFHSA-N 434.646 5.411 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccccc1 1872443566 HXGSDEGKSVVEAH-DEOSSOPVSA-N 442.625 5.430 30 10 IKEE Cc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 1872760763 XJPRAIZFEGTDIZ-HSZRJFAPSA-N 430.573 6.033 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 1872765985 AFBSWSIZLAOESW-LBPRGKRZSA-N 437.735 6.269 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccc(Cl)cc3Cl)n2)cc1 1872770065 IPEXRSZRQIIDNV-QGZVFWFLSA-N 445.371 6.461 30 10 IKEE COc1ccc(OC)c(/C=C/C(=O)[C@@H](C#N)c2nc(-c3c[nH]c4ccccc34)cs2)c1 1872777098 GMOXQIHQWNRXOL-PDFOZTTASA-N 429.501 5.198 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@@H](C#N)C(=O)Cc3ccccc3OC)n2)c1 1872780911 NGJOCIHHJWJNRP-IBGZPJMESA-N 436.533 5.035 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C)cc2[N+](=O)[O-])=C(c2ccc(C)cc2)C1=O 1873367801 NXPCXAHELHDNHJ-UHFFFAOYSA-N 449.551 5.764 30 10 IKEE Cc1ccc(-n2ncc(N/N=C/c3ccccc3OCc3ccccc3)c(Cl)c2=O)cc1 1873525510 HYQIZWGUUXBIRX-JFLMPSFJSA-N 444.922 5.219 30 10 IKEE CCCCCCCCNC(=O)c1cc2c(N3CCc4ccccc4C3)ncnc2n1CCC 1873572014 OFBNCEGOGDYKRW-UHFFFAOYSA-N 447.627 5.494 30 10 IKEE Cc1ccccc1/C=N/n1c(COc2cccc(C)c2C)nnc1SCc1ccccc1 1874323361 LQTIABUHSZEMFO-JVWAILMASA-N 442.588 5.957 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccc(Cl)cc3)n2/N=C/c2ccccc2)c1 1874342463 RGTLVRVBYNHMSD-JVWAILMASA-N 447.007 6.314 30 10 IKEE Cc1cccc(CSc2nnc(CCOc3ccccc3)n2/N=C/c2sccc2C)c1 1874345165 ZRBLJNOFPSTOMB-PCLIKHOPSA-N 448.617 5.752 30 10 IKEE C=CCSc1nnc(CCc2ccccc2C)n1/N=C/c1cccc(Br)c1 1874362323 YYPNXWCZWQMQDE-HZHRSRAPSA-N 441.398 5.295 30 10 IKEE Oc1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2F)cc1 1874379594 AUVRZTMZLWCVBN-VULFUBBASA-N 436.487 5.027 30 10 IKEE Cc1cccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2F)c1 1874379728 ITAXCYXTQWGVQT-JFLMPSFJSA-N 434.515 5.630 30 10 IKEE CCCOc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccc(C)cc2)c1 1874435574 NMBTWNGQKWLJEQ-YZSQISJMSA-N 436.625 6.138 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2[C@@H]2CCCO2)cc1 1874446468 CBJXUGTYHSHLAJ-OINMWHHXSA-N 449.624 5.459 30 10 IKEE C=CCSc1nnc(C2CCCC2)n1/N=C/c1ccc(OCc2ccccc2)c(OC)c1 1874456992 UVJAPLMGEUWVEG-YZSQISJMSA-N 448.592 5.684 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1sccc1C 1874483422 VDMJVDAMZIYMAR-YDZHTSKRSA-N 441.626 5.121 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2C(C)(C)C)cc1OC 1874484118 GMOYEGCFNCQDKH-AFUMVMLFSA-N 438.597 5.384 30 10 IKEE CCCOc1cccc(/C=N/n2c(COC)nnc2SCc2c(F)cccc2Cl)c1 1874505327 HHQYBFHCOWXAMF-WYMPLXKRSA-N 448.951 5.180 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C(C)C)c1 1874512266 OQEJSCYNLARAIY-OEAKJJBVSA-N 439.541 5.273 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/n2c(S)nnc2C2CC2)cc1OCC 1874558569 LHAVWEZHEVAIMM-JJIBRWJFSA-N 430.618 5.855 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)cc1 1874573414 MZQKDRNLBREXKP-QGOAFFKASA-N 431.507 6.082 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2ccc(Cl)cc2)cc1 1874574019 QMCAMPLOFPXOOP-OBGWFSINSA-N 434.963 7.166 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2c(C)cc(C)cc2C)c1OCC(=O)OCC(C)C 1874590063 QWHURFAFAOEGIZ-BQYQJAHWSA-N 444.955 5.748 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1OCC(=O)OCC(C)C 1874593796 BZUASQKYKFDAHZ-XBXARRHUSA-N 437.319 5.476 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(Cl)c3)c(OC)c2)cc1 1874607424 NLYGNMLQSMJVIM-RVDMUPIBSA-N 434.963 7.166 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 1874608520 SIHHUQYERBFVMI-AWNIVKPZSA-N 449.459 5.096 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(OC)c1OCc1ccc(F)cc1 1874613113 CTPOXHBSHCEWLQ-LFYBBSHMSA-N 426.871 5.971 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc(F)c2)c(Br)c1)c1ccc(Cl)cc1 1874613243 KEWWKIAMKAPQGE-ONNFQVAWSA-N 445.715 6.717 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCc3nc(O)c4ccccc4n3)c(Cl)c2)cc1 1874616205 NTBXGTQBTLUFTN-XYOKQWHBSA-N 430.891 5.772 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(OC)c(OCc2ccccc2C)c(OC)c1 1874619801 UBTKYKLBRYLZCB-VAWYXSNFSA-N 432.516 5.804 30 10 IKEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(OC)c4ccccc34)cc2)o1 1874638063 GWXVRAPCSCJKDF-NTEUORMPSA-N 442.467 5.703 30 10 IKEE CCCCCCCOc1ccc(C(=O)CCN2CCN(c3ccccc3F)CC2)cc1 1874690041 IPVPTLDTFRZDBS-UHFFFAOYSA-N 426.576 5.570 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc4nc(C)c(C)nc4c3)c2)cc1 1874694595 LHXVTYKIEVHKQG-XNTDXEJSSA-N 436.511 5.924 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(F)cc2F)c1)c1cccc(Br)c1 1874698269 OGJSWXWOIUOGEJ-JXMROGBWSA-N 443.243 5.843 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)[C@H](C)c3ccccc3)c2)cc1 1874701452 TUIGLDMUVBIFSU-OUQXZNHLSA-N 430.500 5.699 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)OCO4)c2)c1 1874707348 AUOPZOLPIDDPRL-ZRDIBKRKSA-N 444.483 5.384 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCCOc3ccc(Cl)cc3)c2)cc1C 1874714195 ISQCQHXPDHGZQS-OQLLNIDSSA-N 448.946 6.618 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2)cc1C 1874714196 IVOIDXVPOHKUAP-YRNVUSSQSA-N 435.863 5.980 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(OC)c(Cl)cc2OC)cc(Br)c1O 1874719583 QFOQDCLHQUZYPG-AATRIKPKSA-N 441.705 5.120 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1ccccn1 1875098074 QXXWKZKYSKPKAI-GXDHUFHOSA-N 427.500 5.474 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)[C@@H](C)c3ccccc3)c(OC)c2)cc1 1875103530 CXCXOHAHJGKZBN-XOVFHRFOSA-N 448.946 6.516 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(Br)c1OC(=O)C(C)C 1875115369 ZRXZUZBHEQKEFX-IZZDOVSWSA-N 447.325 5.314 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)c1cccc(OCC)c1 1875129010 GSIUWWSTTXBSCP-FOCLMDBBSA-N 442.511 5.938 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)cc1 1875129456 DBJSGGKYQPAUMO-LFYBBSHMSA-N 444.571 6.493 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2Cl)cc1 1875131620 GWLOAFXHICYYPQ-MDWZMJQESA-N 448.946 6.400 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)[C@@H](C)c1ccccc1 1875138432 WBGWGABTXSHBMJ-HYSAVQALSA-N 448.946 6.571 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1Cl 1875146374 RJFZENVQWYDAJT-UXBLZVDNSA-N 448.902 5.546 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)CC1CCCCC1 1875147871 PPIRDGIBQLSOHH-JXMROGBWSA-N 436.504 5.238 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1Cl)c1ccc(F)c(F)c1 1875154170 RTUCEVMQBKZKAP-XYOKQWHBSA-N 448.852 6.887 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(F)cc2F)cc1 1875184327 UFASWJJAUCIKJM-RIYZIHGNSA-N 434.482 6.686 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)ccc1OC(=O)c1ccccn1 1875193392 IDJQZZDMPRMVQX-JXMROGBWSA-N 437.879 5.258 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@H](C#N)[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C 1899596878 WXRFAQBCSITCPJ-IRXDYDNUSA-N 435.590 5.023 30 10 IKEE Cc1cc(Br)c(F)c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)c1 1927529269 VYKYECQGFHGDBW-QGZVFWFLSA-N 437.284 6.042 30 10 IKEE CCCCCCCCC[C@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NC 1947489318 KNIIVZLZJGWFBD-RPWUZVMVSA-N 434.665 6.215 30 10 IKEE C=CCC[C@H](C)[C@@H](NCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997469558 PSOUGXYXUCHTHY-SYVJQLTCSA-N 430.633 5.411 30 10 IKEE CCCCCCCCNc1cc(Br)c(Br)c(Br)c1 2034341463 JTYDSELPPJPUAV-UHFFFAOYSA-N 442.033 6.747 30 10 IKEE C=C1CCC(C[C@@H](CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)NCCC)CC1 2035440377 DLKCWSYFSLHARK-VWLOTQADSA-N 443.676 5.518 30 10 IKEE CCN[C@@H](CC#CC1CCCCC1)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2035464739 HVUORYVKJMVFMJ-LOSJGSFVSA-N 442.644 5.439 30 10 IKEE C[C@@H]1CN(CCCB2OC(C)(C)C(C)(C)O2)c2ccccc2CN1C(=O)OC(C)(C)C 2044531856 SMVOIBSDNLAJDE-GOSISDBHSA-N 430.398 5.115 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)cc1Br)NCCC 2063098768 IKPNPIGCJURRTQ-IRXDYDNUSA-N 431.802 5.093 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(F)cc(C)cc1Br 2116827272 ANMUIMDUZUNADF-SJLPKXTDSA-N 429.374 5.407 30 10 IKEE CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)Nc1ccccc1Br 2149844333 RUNMHIKZZKLWLD-IERDGZPVSA-N 436.394 5.426 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCC[C@H]2Nc2ccc(C#N)c(Br)c2)CC1 2162397588 KRVDUCQOCUMFMZ-GOSISDBHSA-N 434.378 5.302 30 10 IKEE CCN(c1ccc(Br)cc1C#N)[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 2174808244 LREPDIPBQWFTOM-CRAIPNDOSA-N 436.394 5.231 30 10 IKEE C[C@](C#N)(c1ccccc1)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2191345673 FKBSKWOLTPRWEN-KYJUHHDHSA-N 449.550 6.359 30 10 IKEE C=CCCCCCCC[C@@H](CCN(Cc1ccccc1)C(=O)OC(C)(C)C)NCCC 2214617675 JRTRGPXIFRQDIM-VWLOTQADSA-N 430.677 7.099 30 10 IKEE CCCCCCC[C@H](O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229115773 YTCLUYXUOZIHMK-MOPGFXCFSA-N 428.411 5.606 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)c1sccc1CNC(=O)OC(C)(C)C 2235731448 QLMYZLXQFHKPSZ-GOSISDBHSA-N 449.414 5.238 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)[C@@](C)(NC(=O)OC(C)(C)C)C(C)C 2235747764 SLNPTEFJMMNUEW-KNQAVFIVSA-N 437.422 5.108 30 10 IKEE C=C(C)CCCCNc1cc(Br)c(Br)c(Br)c1 2250163123 GYVFVAOODMLFHG-UHFFFAOYSA-N 425.990 6.132 30 10 IKEE C=C(C)CCCC[C@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2259232612 DAYHVCHTLOKWBV-IGKIAQTJSA-N 443.676 5.661 30 10 IKEE CC(C)N[C@]1(C#N)CCCC[C@@H]1CCN(CCN(C)Cc1ccccc1)Cc1ccccc1 2273186744 BHUCCFHLAVFELI-WDYNHAJCSA-N 446.683 5.461 30 10 IKEE Cc1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1B1OC(C)(C)C(C)(C)O1 2282123020 OZVJTZSNJDMZAR-UHFFFAOYSA-N 443.352 5.126 30 10 IKEE COc1ccc(CN=Cc2c(-c3ccccc3)nn(-c3nc4ccccc4s3)c2O)cc1 2293456932 GRXOUUVCSLNEFI-UHFFFAOYSA-N 440.528 5.482 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)CN(CC(C)C)C(=O)OC(C)(C)C 2296215740 DBDHWQWPNLEGKM-HXUWFJFHSA-N 437.422 5.062 30 10 IKEE C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)C(=Cc3ccc(C(F)(F)F)cc3)C[C@H]12 2296741687 LJQHVTRFOZQNII-BIGIFDKBSA-N 444.537 6.592 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3c(ccc(OC(=O)C4CCCCC4)c3C)C1=O)cn2C 2296872194 ZFISQKDUXOBPSZ-UHFFFAOYSA-N 445.515 5.597 30 10 IKEE Oc1cc2ccccc2cc1-c1nc2cc(N=Cc3c(O)ccc4ccccc34)ccc2o1 2297710187 DCTPHCSLBKWZNS-UHFFFAOYSA-N 430.463 6.963 30 10 IKEE CCCCOc1ccc(C=Nn2c(CC)nnc2SCc2ccccc2C)cc1OC 2320940816 OPJBDCVQNUNATN-UHFFFAOYSA-N 438.597 5.511 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CC)nnc1SCc1ccc(Cl)c(Cl)c1 2321048139 AEMXUJQLOKPMFZ-UHFFFAOYSA-N 447.391 5.887 30 10 IKEE Cc1c(OCc2c(Cl)cccc2Cl)ccc2c1OC(=Cc1cccc(Cl)c1)C2=O 2321779760 COMFLQZXACZTOS-UHFFFAOYSA-N 445.729 7.150 30 10 IKEE Cc1ccc(COc2ccc(C=Nn3cnnc3SCc3ccccc3C)cc2)cc1 2321813922 IUDIRWHBOXCJJO-UHFFFAOYSA-N 428.561 5.648 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccco2)C4)cc1 2321965208 PVLTZAXKCSZNBD-UHFFFAOYSA-N 444.531 5.403 30 10 IKEE COc1cccc(C=C2Oc3c(ccc4c3CN([C@@H]3CCCC[C@@H]3C)CO4)C2=O)c1OC 2322146010 MBXIWYLIWLHYQS-OXJNMPFZSA-N 435.520 5.051 30 10 IKEE CCCCC[C@H](CC)N1COc2c(cc3c(c2C)OC(=Cc2ccc(N(C)C)cc2)C3=O)C1 2322356797 MJPFEVPJPVFAMF-QFIPXVFZSA-N 448.607 6.188 30 10 IKEE COc1cccc(C=C2Oc3c(cc4c(c3C)OCN(CCC3=CCCCC3)C4)C2=O)c1 2322377353 RJJHOFACZCPHMK-UHFFFAOYSA-N 431.532 5.662 30 10 IKEE CCc1ccc(C=C2Oc3c(cc4c(c3C)OCN(CCc3cccs3)C4)C2=O)cc1 2322416687 RCRWAIZAXDLWAL-UHFFFAOYSA-N 431.557 5.630 30 10 IKEE COc1cccc(C=CC(=O)c2ccccc2Cl)c1OCC(=O)Nc1c(C)cccc1C 2322437138 SUPYSRGAJOQFKV-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(ccc(OC(=O)c4cccnc4)c3C)C2=O)cc1 2322810037 CRHYTGCZHJUYIS-UHFFFAOYSA-N 428.488 5.072 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC)c(OCc3ccc(Cl)cc3)c2)cc1 2323076116 RFKPYZATEDRTCK-UHFFFAOYSA-N 434.963 7.166 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(=O)CCc4ccc(C)cc4)cc(C)c3C2=O)c1 2323081268 GYOIZGBYMPPWDQ-UHFFFAOYSA-N 428.484 5.466 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2)c(Br)c1OCc1ccc(F)cc1 2323127278 IWCNFQANFMKPNW-UHFFFAOYSA-N 441.296 6.072 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OCC(=O)Nc1nccs1 2323203692 VJIWGKNRTXOHLU-UHFFFAOYSA-N 436.533 5.189 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2cccc(OCCc3ccccc3)c2)cc1Cl 2323306784 KCUJOSZDEWGZMD-UHFFFAOYSA-N 427.327 6.520 30 10 IKEE CCCOc1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccs2)C3=O)cc1 2323460413 HWSKJIHOKDHANZ-UHFFFAOYSA-N 446.524 6.080 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)cc([N+](=O)[O-])c1OCc1cccc(F)c1 2323476548 TXQQYLKLSCRFAT-UHFFFAOYSA-N 449.478 6.170 30 10 IKEE CCOc1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(F)c2)C3=O)cc1 2323511884 CRBVPUCPQFMHJM-UHFFFAOYSA-N 444.458 5.768 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccc(Cl)cc1 2323532671 DHGZAFGKKYPZAT-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE O=C(C=Cc1ccc([N+](=O)[O-])cc1)Oc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O 2323589698 STXIOQZAOKRMKG-UHFFFAOYSA-N 447.830 5.483 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OCC(=O)N[C@H](C)c2ccccc2)c(Cl)c1 2323701132 NAHSMGNUIXISKJ-GOSISDBHSA-N 449.934 5.501 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OCC(=O)Nc2cc(C)cc(C)c2)cc1 2324358687 YCIJTIMRUZKDIG-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE Cc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1ccc(C(C)C)cc1)C2=O 2324406122 CANFTKXARHVNFR-IBGZPJMESA-N 441.527 6.141 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)c(OC)c1 2324464663 VIPAJZIDRPTUCW-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1 2324478384 NMJFAUUNZLGLIW-KRWDZBQOSA-N 445.490 5.719 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc(OCCCCOc3cccc(C)c3)c2C)C1=O 2324571083 BWAICTNSJKMWOE-UHFFFAOYSA-N 444.527 6.166 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1Cl 2324623647 OKOOYPROXJZHJC-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE CCc1ccc(OCCCOc2ccc3c(c2C)OC(=Cc2ccccc2C)C3=O)cc1 2324665620 STUORXHPPNHEJI-UHFFFAOYSA-N 428.528 6.330 30 10 IKEE Cc1c(OCCOc2ccc(Cl)cc2)ccc2c1OC(=Cc1ccc(N(C)C)cc1)C2=O 2324673155 FHTRLCDBDJDEJB-UHFFFAOYSA-N 449.934 5.788 30 10 IKEE COc1ccc(OCCOc2ccc3c(c2C)OC(=Cc2cccc(OC)c2)C3=O)cc1 2324682669 ASPIXSFOJROOMQ-UHFFFAOYSA-N 432.472 5.086 30 10 IKEE COc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc1OC 2324725723 JWWGHCDFHRBMHD-LJQANCHMSA-N 448.544 5.342 30 10 IKEE N#Cc1c(NC(=O)C=Cc2ccc(OCc3ccccc3Cl)cc2)sc2c1CCCC2 2325119118 DWAQGYNEXHFXJB-UHFFFAOYSA-N 448.975 6.383 30 10 IKEE O=C(COc1cc(F)ccc1F)Oc1cccc(C=CC(=O)c2ccc3ccccc3c2)c1 2325700713 TVQXVGRTPUBUKE-UHFFFAOYSA-N 444.433 5.999 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2ccc(Cl)cc2)cc1OC(=O)C1CCC1 2325730021 DBEDQVVGXICSFG-UHFFFAOYSA-N 449.728 5.713 30 10 IKEE CCSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1ccccc1OC 2325908804 ZNDMKGBLGYNFDJ-UHFFFAOYSA-N 437.352 5.167 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1c(OC)ccc2ccccc12 2326414449 HFZIOQUUXMHUEW-UHFFFAOYSA-N 444.604 6.184 30 10 IKEE CSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc(Cl)c(Cl)c1 2326567575 HSOWELRENBQFCA-UHFFFAOYSA-N 441.387 6.127 30 10 IKEE CCCOc1cccc(C=Nn2c(CCc3cccc4ccccc34)nnc2SCC)c1 2326589361 OTYFDUYOKOZFRC-UHFFFAOYSA-N 444.604 6.000 30 10 IKEE C=CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccc(N(C)C)cc1 2326927005 NOXQUBPYZUXHKH-UHFFFAOYSA-N 435.641 5.263 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)C1(C#N)CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 2327973428 AUEUEGPYEWRAHV-CMAULLTDSA-N 449.636 5.589 30 10 IKEE COc1ccccc1C=Nn1c(SCc2ccc(C)cc2)nnc1[C@H](C)c1ccccc1 2330051018 RJQIQPGCCRKYOL-HXUWFJFHSA-N 442.588 5.921 30 10 IKEE Cc1ccccc1CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1ccccc1F 2330057826 UVXNEKAGNSBCIG-IBGZPJMESA-N 430.552 6.052 30 10 IKEE Cc1ccccc1CSc1nnc(CC2CCCCC2)n1N=Cc1ccc(N(C)C)cc1 2330232782 XTVUMAUYFNRKOT-UHFFFAOYSA-N 447.652 5.950 30 10 IKEE CSc1nnc(-c2cccs2)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2330522040 ZFBOTVHAQYFBPI-UHFFFAOYSA-N 440.981 5.843 30 10 IKEE CCCSc1nnc(-c2ccccc2)n1N=Cc1ccc(OCc2ccc(C)cc2)cc1 2330680789 ADMOGZUGWCPUJW-UHFFFAOYSA-N 442.588 6.217 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc4c(c3)OCO4)c([N+](=O)[O-])c2)cc1 2330750175 XMIZPLKEKAOEHG-UHFFFAOYSA-N 445.427 5.001 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccccc3CC)c(OC)c2)cc1 2330770430 JJOKEIFTCJCPKA-UHFFFAOYSA-N 444.527 5.701 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(CC(C)(C)C)n1N=Cc1ccccc1 2330812633 WRZYUAUPEVIQSO-UHFFFAOYSA-N 435.597 5.042 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CC(C)(C)C)nnc1SCc1ccc(F)cc1 2330819435 OOZLIULYRIKIAI-UHFFFAOYSA-N 438.572 5.745 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)cc(Br)c1OC(=O)C1CC1 2330944249 BVNVWYWEIKBBRE-UHFFFAOYSA-N 449.728 5.713 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Br)c2)ccc1OC(=O)C(C)(C)C 2331006905 DPWDCNRAWKNIKH-UHFFFAOYSA-N 431.326 5.695 30 10 IKEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC(=O)c1ccccc1 2331017197 DUCFQVKSKLTGPZ-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccccc3OC)cc2OCC)cc1 2331077687 WZDWDPWPYHCHCI-UHFFFAOYSA-N 446.499 5.608 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1N=Cc1cc(Br)ccc1F 2331336234 WSVHHPFGEAMBLQ-UHFFFAOYSA-N 447.377 5.697 30 10 IKEE Cc1ccccc1NC(=O)CSc1nnc(CC(C)C)n1N=Cc1cccc(Cl)c1 2331443687 HWLSZJMECMFNER-UHFFFAOYSA-N 441.988 5.051 30 10 IKEE O=C(Cc1ccc(Cl)cc1)Oc1ccc(C=CC(=O)c2ccc(F)cc2)cc1Cl 2331521307 QYXWSTQQAOSYIT-UHFFFAOYSA-N 429.274 6.177 30 10 IKEE CC(C)c1nnc(SCCc2ccccc2)n1N=Cc1ccc(Br)cc1 2331702107 OUQZVAKRJOENRG-UHFFFAOYSA-N 429.387 5.381 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)c1cncc(C)c1 2331704429 MCMQNYRZIJWNAE-UHFFFAOYSA-N 435.907 5.784 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)c1ccc(C)c(C)c1 2331705368 NHXUVEUOYHQHIN-UHFFFAOYSA-N 444.527 6.053 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)cc2OC)cc1Cl 2331721980 GRBPWAYAVSYLFI-UHFFFAOYSA-N 430.928 6.129 30 10 IKEE CCc1ccc(C#N)c(Sc2cc(I)ccc2Br)c1 2338300195 DPQYRPABNXAAAH-UHFFFAOYSA-N 444.135 5.639 30 10 IKEE CC1(C)CC=C(B2OC(C)(C)C(C)(C)O2)CN1Cc1cccc(Cl)c1Br 2362670392 TYZACYDDKRNXRQ-UHFFFAOYSA-N 440.618 5.645 30 10 IKEE N#Cc1cccc(CN2C[C@@H]3C[C@H](C2)c2ccc(/C=C/c4ccc(Cl)cc4)c(=O)n2C3)c1 4237344 CCTULZMIHFXVFQ-YYLDKTNSSA-N 441.962 5.163 30 10 IKEE biogenic CC(C)c1ccc(/C=C/C(=O)c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 5189553 FAIZMZIJZZOFNF-UFWORHAWSA-N 426.556 7.223 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nc2scc(-c3ccccc3)c2c1=O 9041590 XDTVXWAPHBFXOD-UHFFFAOYSA-N 447.585 5.350 30 10 IKEE Cc1cccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(SCc4ccccc4)nn32)c1 17097174 JVMYSMJBXAUFKJ-JOCHJYFZSA-N 430.577 5.537 30 10 IKEE O=C1C[C@H](c2ccccc2Cl)CC2=C1[C@H](c1ccccc1[N+](=O)[O-])Nc1ccccc1N2 21226112 AOQQVNYPBUQCOH-BZQUYTCOSA-N 445.906 6.228 30 10 IKEE CCc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(Cl)c2)cc1 21226508 VRUSHDVPMDAUNY-CCLHPLFOSA-N 428.963 6.882 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(CC)cc2)cc1 21234000 GRSFCMFKCAVMOE-PZGXJGMVSA-N 438.571 6.627 30 10 IKEE CCc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(SC)cc2)cc1 21240564 VFXBPEZKXGLCBT-LYZGTLIUSA-N 440.612 6.950 30 10 IKEE COc1ccccc1NC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1 21355939 ZJXSAIKIUPADPQ-XMMPIXPASA-N 429.476 5.501 30 10 IKEE C=C[C@](C)(O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC 36308715 AHXBDSYSKYKTRT-SANMLTNESA-N 435.568 5.131 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O)c1ccc(F)cc1 38320866 KUTZHHXDXKFTNY-UKWGHVSLSA-N 429.230 5.968 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCc3ccc(Cl)cc3Cl)ccc2C1=O 39754097 SGKXTISABOOFDZ-KSEXSDGBSA-N 441.310 6.587 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1cccc(OCCC)c1 40096001 WGYPXSHLDDWHAB-BXKMTCNYSA-N 449.547 5.177 30 10 IKEE Cc1c(OCc2c(F)c(F)c(F)c(F)c2F)ccc2c1O/C(=C\c1ccccc1)C2=O 41435996 RRCBQBNXFTZMGR-SXGWCWSVSA-N 432.344 5.886 30 10 IKEE CCCCCCCCCCCCn1c(CCNC(=O)C2CCCCC2)nc2ccccc21 101322365 SACVZSADBQOSAI-UHFFFAOYSA-N 439.688 7.196 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1ccc2c(c1)O/C(=C/C=C\c1ccccc1)C2=O 103018852 DQKAQYMMVPTNJI-FXYPBYAMSA-N 428.440 5.095 30 10 IKEE CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)[C@@H]2c2cccc(Cl)c2)cc1 103090590 DZUPHVCNUFEGNO-RKKARLDVSA-N 448.906 5.150 30 10 IKEE CC(C)[C@H](CS)COc1c(Br)cc(Br)cc1Br 127129568 NRTBTKHEDCXDJX-QMMMGPOBSA-N 447.030 5.555 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(OC)cc2)cc1 169925328 QFPBICVPCMHEAN-DEOSSOPVSA-N 427.500 5.349 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccc(C)cc2C)cc1 169925689 HLDOVOFGLGDKJR-VWLOTQADSA-N 441.527 5.712 30 10 IKEE CCCOc1c(Cl)cc(/C=N\Nc2nc(-c3ccc(F)cc3)cs2)cc1OCC 169942141 QBSDSXLNENJKQF-MSXFZWOLSA-N 433.936 6.236 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(OC(C)C)c2)c1 169981399 KJRFLEJANLXMPJ-XMMPIXPASA-N 433.548 5.612 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1cccs1 169984514 INTRKJGGGOHVJD-OAQYLSRUSA-N 448.931 5.974 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccncc2)c1 170025618 GZSDGVQXIXWGDL-QFIPXVFZSA-N 432.907 5.130 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccc(C)cc2)cc1 170029396 BBGZPCQKRQAJJV-RUZDIDTESA-N 441.527 5.793 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2C2CCCCC2)c1 170039222 ZZKHZGZQPHKFIV-DEOSSOPVSA-N 433.548 5.559 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@H]1c1ccccc1)c1c[nH]c2ccccc12 170050281 AIVMBEJFNBKZIJ-QFIPXVFZSA-N 446.865 5.743 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 170065367 KIRZUPFHVKQTBV-HSZRJFAPSA-N 449.453 5.060 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1c[nH]c2ccccc12 170074247 RTAIORRWYLSJAL-XMMPIXPASA-N 438.483 5.268 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2c[nH]c3ccccc23)c1 170074264 UQNMSEUZUMPWCN-VWLOTQADSA-N 447.494 5.741 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2cccc(O)c2)cc1 170079800 VBVVJYYCWMVCGS-JOCHJYFZSA-N 435.426 5.016 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@@H]2c2ccco2)cc1C 170090710 VHHNZGCIYSOMMC-HSZRJFAPSA-N 429.516 5.977 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1ccc(O)cc1 170133378 IXWJKQUMTSFCEN-HSZRJFAPSA-N 443.499 5.109 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2ccc(F)cc2)c1 170140645 YNAQTCRTZZLAFY-DEOSSOPVSA-N 445.490 5.704 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2cccs2)c1 170156532 OSHKSWFEZQGDAX-QHCPKHFHSA-N 429.541 5.718 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccs2)ccc1Cl 170163705 XOUVWUNIRGVSQU-LJQANCHMSA-N 431.941 5.321 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1cccs1 170165728 AQTXSKYTZSELAM-NRFANRHFSA-N 425.594 6.123 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1ccccn1 170176346 UZTQUSPAORNDQT-DEOSSOPVSA-N 440.543 5.779 30 10 IKEE NC1=C(c2nc(-c3cccs3)cs2)C(=O)CN1c1ccc(Oc2ccccc2)cc1 170181072 LYIBFWOLRDREJQ-UHFFFAOYSA-N 431.542 5.381 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC(C)C)c3)[C@@H]2c2cccnc2)c1 170185490 VRLAAJTYIAZDOS-DEOSSOPVSA-N 442.515 5.208 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccncc2)cc1 170204148 MTSXTHVUEIBBIJ-QFIPXVFZSA-N 448.906 5.307 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCC2)c1 170218711 SGRXJLYWLFHAPR-NRFANRHFSA-N 425.912 5.260 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(Cl)cc2)c1 170236936 KEKFVGKREWZOBQ-JOCHJYFZSA-N 439.939 5.648 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(F)cc2)c(C)c1 170239750 YFTAJNJIIUOJAY-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccccc2F)c1 170248518 PGUWBZOMWNYGQD-RUZDIDTESA-N 437.470 6.070 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2F)cc1C 170253668 YKCKWYWFLFZFAU-QHCPKHFHSA-N 437.511 5.444 30 10 IKEE N#Cc1c(NC(=O)c2ccccc2C(F)(F)F)oc(-c2ccccc2)c1-c1ccccc1 170522088 LTQFFXCTLDDEQX-UHFFFAOYSA-N 432.401 6.756 30 10 IKEE N#CCCn1cc(/C=C\C(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)c2ccccc21 207091516 UUIHIDCEDNEHNI-WDZFZDKYSA-N 440.478 5.211 30 10 IKEE FC(F)(F)c1ccc(NC(=S)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 240795332 AZIJOWANXISDFU-UHFFFAOYSA-N 432.311 6.552 30 10 IKEE N#Cc1ccc(Nc2cc(I)ccc2Cl)cc1Br 305924374 AQQCPHICVXLOEE-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccsc1Br)NCCC 406225585 HLGICVFJUCXKFT-HOTGVXAUSA-N 431.440 5.281 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(F)ccc(Br)c1F 407483147 XBILPHJCWLNBRH-RHSMWYFYSA-N 433.337 5.237 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cn(C)c3ccccc23)cc1 526484146 AYBUPYPOUKBNNI-SANMLTNESA-N 449.510 5.506 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@@H]2c2ccc(O)c(Cl)c2)c1 526517226 SSDAKFKZSXKCDX-NRFANRHFSA-N 437.282 5.628 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccc(Cl)c2)cc1OC 526518417 XTWBKCXVUZUGJR-HSZRJFAPSA-N 446.890 5.286 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(Cl)cc2)c1 526606186 IIKMWVRGXACABS-QHCPKHFHSA-N 430.891 5.668 30 10 IKEE Cc1ccc(SC2=C(Nc3ccc(C)cc3C)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 526639740 IPSYYCUULMIMHS-UHFFFAOYSA-N 439.540 5.473 30 10 IKEE Cc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1ccc(OCC(C)C)cc1 526805370 JBCHOTJTHBFXEF-YSMPRRRNSA-N 436.625 6.093 30 10 IKEE Cc1cccc(CSc2nncn2/N=C\c2cc(Cl)c(OC(C)C)c(Cl)c2)c1 526807748 ABHPNQXHCXRLTD-VROXFSQNSA-N 435.380 5.855 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1cc(Cl)c(O)c(Cl)c1 526811456 KUNYBHKJGMIPQK-MYKKPKGFSA-N 449.407 6.034 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@@H](NC(=O)/C=C/c3ccc(F)cc3)C2)c1 586019105 ITVGZILXQUJBPK-AIIPKAINSA-N 449.570 5.098 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(Br)c(C)s1 698372894 JTBARAIELBYFEB-OAHLLOKOSA-N 437.359 5.834 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 698908038 FZXFGIAOGLCZPY-KSFYIVLOSA-N 435.590 5.024 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(C)ccc(Br)c1F 721193494 PDKRCACNYDNCPI-QFBILLFUSA-N 443.401 5.797 30 10 IKEE C=C(CC[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@]3(C)CCC(=O)C(C)(C)[C@H]3CC[C@@]12C 1082881189 HKRMRIDUAZDXGO-QBCRAVMNSA-N 440.712 7.754 30 10 IKEE CC/N=C1/S/C(=C/c2c(OCc3cccc(C)c3)ccc3ccccc23)C(=O)N1CC 1083993880 PJYUYHKWGJNTLN-PHSRYYMBSA-N 430.573 6.039 30 10 IKEE C[C@@H]1C[C@@H](C)CN(/C(=N/Cc2cc(Br)ccc2F)Nc2ccccc2O)C1 1088735590 XGFFJMRSWYRUDM-HUUCEWRRSA-N 434.353 5.240 30 10 IKEE CC(/C=C1\S/C(=N\N=C/c2ccc(F)cc2)N(Cc2ccco2)C1=O)=C\c1ccccc1 1554646236 UJKPMUGWBHKUAV-OFSQMATGSA-N 445.519 5.872 30 10 IKEE C=CCNC(=O)Oc1cccc2c(NC(=O)CCC(=O)c3ccc(Cl)cc3)cccc12 1858940646 ANUUDXVDHASZDN-UHFFFAOYSA-N 436.895 5.369 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc(C)cc2)cc1 1862389289 CGQJJUDUOZUWLU-KHMOSXFSSA-N 445.603 6.495 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C(C)C)cc1 1862438171 IPMCOBWUYZRPGK-QFIPXVFZSA-N 441.955 5.896 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(OC(C)C)c(OC)c1 1862439229 XEWUZGMILKYPKZ-OAQYLSRUSA-N 443.927 5.124 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cc(Cl)cc(Cl)c1 1862444120 UILCSPSOEUBRJX-GOSISDBHSA-N 438.738 6.025 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1cccc(C)c1 1862456179 MEGUZNZFZFUSPO-OAQYLSRUSA-N 431.454 5.571 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc(C)c2)cc1 1862475990 YSZMKGYAVSZFFR-RUZDIDTESA-N 425.528 5.433 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OCC)c(OC)c1 1862487464 BJMFLYFYPFIODN-HSZRJFAPSA-N 437.536 5.171 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccc(F)cc2)c1 1862490350 TZFKFHFRDLCMSV-RUZDIDTESA-N 443.518 5.838 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2cccc(F)c2)ccc1F 1862502165 SMDQBXZHKNXXTA-QHCPKHFHSA-N 439.502 5.964 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cccc(O)c1 1862506925 BWLFNLACZFGMBJ-XXBNENTESA-N 439.527 5.777 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2cccc(O)c2)cc1 1862513862 AQTLPQIQGRXMQK-VXWZWFMZSA-N 449.547 5.338 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2c(F)cccc2Cl)c1 1862560583 GGSIFAUXNFVMCS-OAQYLSRUSA-N 442.918 5.362 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccccc1Cl 1862618108 PIEPVCHBBWWORU-JOCHJYFZSA-N 439.983 6.262 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(C(C)(C)C)cc1 1862654381 ZOZCJJGLEOYYQK-IQGLISFBSA-N 441.571 6.514 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862660156 JFVYUSHBWZENCR-AREMUKBSSA-N 445.603 6.810 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(F)cc2)=C(O)C(=O)N1Cc1ccc(Cl)cc1 1862674661 QJAJBAMJTCGBJD-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862703865 ZGRGBOXQYBQENT-XMMPIXPASA-N 433.548 5.559 30 10 IKEE CCCCc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(F)cc3)C2=O)cc1 1862756428 QLOCWDCNIABDDH-UHFFFAOYSA-N 439.490 5.437 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccccc2Cl)C1=O 1863067322 HVMWSOCTTVABIP-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(C)c(C)c2)C1=O 1863253793 YRGGMVJEWDISOR-UHFFFAOYSA-N 429.564 5.728 30 10 IKEE C/C(=C\c1ccccc1Cl)C(=O)N[C@H](C(=O)Nc1ccc(C#N)cc1)c1ccccc1 1866819771 MCAKFXGDTLPPHQ-GGJDQLKOSA-N 429.907 5.111 30 10 IKEE CC(C)[C@@H](C(=O)NC(C)(C)C(=O)Nc1ccc(C#N)cc1)c1ccc(Cl)c(Cl)c1 1866988504 LCPDZWNTUBGJLX-LJQANCHMSA-N 432.351 5.138 30 10 IKEE CC[C@@H](NC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866989868 FVJNSQVVTBKVNC-WOJBJXKFSA-N 432.351 5.138 30 10 IKEE Cc1cc(-n2nnc(C#N)c2NC(=O)[C@@H](Cc2ccccc2)c2ccccc2)ccc1Cl 1870147831 JASOGZAJCJRCMC-NRFANRHFSA-N 441.922 5.066 30 10 IKEE CC(C)(C)c1cccc(-n2nnc(C#N)c2NC(=O)[C@@H](Cc2ccccc2)c2ccccc2)c1 1870147987 PWBRTTPNISQJQB-DEOSSOPVSA-N 449.558 5.401 30 10 IKEE CCCCCCCCCCn1cc(OCCC(=O)OCC)c(=O)cc1CSCC 1870266604 GQHNNFZFDULREV-UHFFFAOYSA-N 425.635 5.574 30 10 IKEE CCCCCCCOc1cn(CCN(CC)CC)c(CN2C[C@H](C)C[C@@H](C)C2)cc1=O 1870411933 RWOCEZIAWPKURE-DHIUTWEWSA-N 433.681 5.017 30 10 IKEE CCCCCCCCn1cc(OCCCCCCC)c(=O)cc1CN1C[C@H](C)C[C@@H](C)C1 1870413116 RXAFHKJHXRNWAT-JWQCQUIFSA-N 446.720 7.036 30 10 IKEE CCCCCCCOc1cn(CCc2cnc[nH]2)c(CNc2ccc(C)c(F)c2)cc1=O 1870836798 VTLGMWVXUUTWIE-UHFFFAOYSA-N 440.563 5.223 30 10 IKEE CCCCCCCCCCN=c1[nH]c(Nc2cccc(C(F)(F)F)c2)ncc1[N+](=O)[O-] 1871302281 KMJZWCZGLZBTJL-UHFFFAOYSA-N 439.482 6.122 30 10 IKEE CCN(CC)CCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(F)cc1)C3=O 1871348474 HPDAVLVRMMMLKH-HAHDFKILSA-N 438.543 5.024 30 10 IKEE Cc1c(OC(=O)/C=C/c2ccc(F)cc2)ccc2c1O/C(=C\c1ccc3c(c1)OCO3)C2=O 1871365645 BYRJFVFXVVDBDX-VJFLBEOUSA-N 444.414 5.098 30 10 IKEE CC(C)(C)c1ccc(/C=C2\Oc3cc(OC(=O)Cc4ccc(F)cc4)ccc3C2=O)cc1 1871371739 GIMONAZGBKRBAB-OYKKKHCWSA-N 430.475 5.888 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4cc(Cl)ccc4Cl)ccc3C2=O)cc1 1871381195 MSOUYVYSAVIBQH-FBHDLOMBSA-N 425.267 6.137 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O)c1ccc(Cl)c([N+](=O)[O-])c1 1871383081 BVOYTZMZBIGALQ-ZDLGFXPLSA-N 427.821 5.145 30 10 IKEE Cc1cc(OC(=O)c2cccc(OC(C)C)c2)cc2c1C(=O)/C(=C/c1cccc(Cl)c1)O2 1871388446 WQXMAIZOSXOHBO-FMCGGJTJSA-N 448.902 6.271 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O 1871402243 GCWDQYQCWDTEGJ-PDESAOGPSA-N 445.490 5.719 30 10 IKEE O=C1/C(=C/c2cccc(Cl)c2)Oc2cc(OCCOc3cccc4ccccc34)ccc21 1871415479 DODFUPDSAXBBPR-QQXSKIMKSA-N 442.898 6.567 30 10 IKEE Cc1cc(C)c(COc2cc(C)c3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)cc1C 1871422820 FGLHBWYGOIZEOI-GATIEOLUSA-N 428.484 5.844 30 10 IKEE O=C1/C(=C/c2cccc(F)c2)Oc2cc(OCc3c(Cl)ccc(Cl)c3Cl)ccc21 1871428184 NMECVUADIKZKAA-UKWGHVSLSA-N 449.692 6.981 30 10 IKEE N#Cc1ccccc1COc1ccc2c(=O)c(-c3cccc4c3OCCCO4)coc2c1 1871437372 UNJOZRNRYOXUJE-UHFFFAOYSA-N 425.440 5.072 30 10 IKEE COc1ccccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(Cl)cc1)C2=O 1871458154 BYXDNHOACIWMAF-XKZIYDEJSA-N 449.890 5.291 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1CC)C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1872467664 KECPWRARWXXGIO-JOCHJYFZSA-N 449.016 5.133 30 10 IKEE COc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)c(OC)c1 1872778642 PPSIRRLOHWJJFI-ZQAUEJBPSA-N 446.572 5.951 30 10 IKEE N#C[C@H](C(=O)/C=C/c1ccc(F)cc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872779829 SHIWMBRUYALDBS-RJVUUZSNSA-N 440.499 6.631 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(OC)cc3)n2)c(OCC)c1 1872783813 ILJHHRMVJCTGRE-LNYGYFNRSA-N 448.544 5.506 30 10 IKEE CCCCCCCCCCN1C[C@@H](C(=O)N(Cc2cccnc2)Cc2ccco2)CC1=O 1872968467 IPQPVFAZDFSTOD-QHCPKHFHSA-N 439.600 5.193 30 10 IKEE C=CCn1c(C(=O)NCc2cccnc2)cc2c(N(CCCC)CCCCCC)ncnc21 1873593857 JPFRXHOLQDJDHK-UHFFFAOYSA-N 448.615 5.129 30 10 IKEE CCSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1cn(C)c2ccccc12 1874252670 TYOYDSOPFWDWBN-PCLIKHOPSA-N 433.581 5.084 30 10 IKEE CCCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1cccc(OCC)c1 1874271484 YNTVHYNWASSXFE-NLRVBDNBSA-N 430.577 5.805 30 10 IKEE Oc1ccc(/C=N/n2c(CCc3ccccc3Cl)nnc2SCc2ccccc2)cc1 1874278870 HRXDNHMGYYDBIA-WGOQTCKBSA-N 448.979 5.597 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2Cl)n1/N=C/c1cccc(Cl)c1 1874279181 YBRGUXVHHNUJLA-ZMOGYAJESA-N 431.392 5.921 30 10 IKEE Cc1ccc(OCc2nnc(SCc3cccc(F)c3)n2/N=C/c2cccnc2)cc1C 1874319393 OWNILKYMQMMOHI-MZJWZYIUSA-N 447.539 5.183 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccccc2C)c1 1874408079 FRSODPJZKBRRSL-WPWMEQJKSA-N 432.637 6.501 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2cccc(C)c2)nnc1C1CCCC1 1874454630 QMSLPYAMRUKHLZ-YZSQISJMSA-N 434.609 6.207 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2ccc(F)cc2)nnc1-c1ccco1 1874465591 QGINNKXWURTCKZ-MFKUBSTISA-N 434.496 5.417 30 10 IKEE CCSc1nnc(CC(C)C)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1874487845 JAJBAJHMVGTEAQ-ZVHZXABRSA-N 428.989 5.703 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2c[nH]c3ccccc23)cc1 1874511915 RFZWXTJTNLHIPI-VULFUBBASA-N 446.580 5.058 30 10 IKEE Cc1cccc(C)c1NC(=O)CSc1nnc(C(C)C)n1/N=C/c1cccc(Cl)c1 1874513404 WKBOBZPEDWKLOV-WYMPLXKRSA-N 441.988 5.285 30 10 IKEE COc1ccc(OC)c(/C=N/n2c(SCc3ccccc3Cl)nnc2C(C)C)c1 1874513699 LQESOPHXOGZCOC-FSJBWODESA-N 430.961 5.247 30 10 IKEE COc1cccc(/C=C/C(=O)c2cccc(Cl)c2)c1OCc1nc(O)c2ccccc2n1 1874577441 NRFDCVFJSRTFFB-OUKQBFOZSA-N 446.890 5.473 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1OCc1ccc(C)cc1 1874596681 YGIJEHSEJRYOHJ-YRNVUSSQSA-N 427.327 6.786 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc(Cl)c2)c([N+](=O)[O-])c1)c1ccc2ccccc2c1 1874603103 JQMKKFDFHKPQOQ-XYOKQWHBSA-N 443.886 6.877 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2Cl)cc(OC)c1OCc1cc(C)ccc1C 1874608569 VJKITWYFTMPDGO-BUHFOSPRSA-N 446.974 7.169 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Br)c2)ccc1OCc1cccc(C)c1 1874610596 AKFVUQMFBJAGIE-PKNBQFBNSA-N 437.333 6.241 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1cccc(C)c1 1874616609 KFSMVWQNFBPSQL-GXDHUFHOSA-N 429.516 5.616 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 1874617858 XDQQSPCVKUDPKC-MDWZMJQESA-N 431.488 6.085 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 1874618233 QCLJEGXUEQKCCJ-OUKQBFOZSA-N 445.515 6.394 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Cl)c1OCc1ccccc1F 1874620156 LTVOYJIZUHIIPG-DHZHZOJOSA-N 442.889 6.800 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])c1 1874625047 JMZHARDQIYYFAZ-VZUCSPMQSA-N 448.450 5.264 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1OCc1ccc(F)cc1 1874625702 RUWLYPJKYZDSKU-LFYBBSHMSA-N 439.414 5.747 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 1874633739 RRUQIXBJMWHAPB-JLHYYAGUSA-N 435.907 5.571 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 1874697242 XXWSFXUYQVJPFP-OMCISZLKSA-N 444.527 6.117 30 10 IKEE COc1ccccc1CC(=O)Oc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC 1874701521 XHMJHOXEENWZAY-JLHYYAGUSA-N 430.500 5.365 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3cc(C)ccc3C)c2)cc1OC 1874703334 KTMXHTWCHOXQFG-ZRDIBKRKSA-N 430.500 5.365 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccc(-c3ccccc3)cc2)c1 1874704422 OIKKTOSIFPNZFZ-SFQUDFHCSA-N 448.518 6.786 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccc3c(c2)OCO3)c1 1874718332 NUQMKTVATNVFJR-VMPITWQZSA-N 436.847 5.193 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cc(C)ccc3C)c(Cl)c2)cc1C 1875107110 AJSWKWVZYYBHHU-JXMROGBWSA-N 448.946 6.318 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3ccccc3)c(OC)c2)cc1 1875115042 JVGIFNCLAUKVMF-MHWRWJLKSA-N 446.499 5.365 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1Cl)c1ccc([N+](=O)[O-])cc1 1875120833 MNKHLHWLJGHTQB-XLUWADSXSA-N 443.789 5.642 30 10 IKEE Cc1ccc(C)c(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2[N+](=O)[O-])c1C 1875127006 KGAHKQUKDOYXFX-ACCUITESSA-N 445.471 5.401 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(C)c3)c([N+](=O)[O-])c2)cc1 1875130032 GITHFVGGKZKFKP-NTUHNPAUSA-N 431.444 5.417 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3)c(OCC)c2)cc1 1875130509 JXFHFNKSRHXFGV-MHWRWJLKSA-N 430.500 5.528 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)COc1ccc(C)c(C)c1 1875142484 FYKWOAYSKNMBFH-IZZDOVSWSA-N 448.490 5.640 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)CCc1ccccc1C 1875142893 YIGDMCAKLMNPJL-NTEUORMPSA-N 446.518 6.276 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OC(=O)c1ccccc1OC 1875156322 UNBQEQGQWVWAMX-JQIJEIRASA-N 438.479 5.972 30 10 IKEE CC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccc(F)cc2)cc1Br 1875158153 HZACMSPANPZSLO-FARCUNLSSA-N 442.078 5.172 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)c1cccs1 1875166915 USOVMRSCKCUSJB-DHZHZOJOSA-N 436.529 5.888 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)CC1CCCCC1 1875175782 GMMKPHAJNFSCQG-ZRDIBKRKSA-N 440.967 6.737 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)C(C)(C)C)c([N+](=O)[O-])c2)c2ccccc12 1875192286 DQEPSNVQSHZBPK-FMIVXFBMSA-N 433.460 5.604 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N1C[C@@H](C)C[C@H](C)C1)n2CC(C)C 1875210353 JLTBWUBBEKPPSC-SFTDATJTSA-N 441.664 5.978 30 10 IKEE C=CCN(CC(=C)B1OC(C)(C)C(C)(C)O1)C(=O)c1cccc(OCc2ccccc2)c1 1916896095 GBQVRYYNTYNAHR-UHFFFAOYSA-N 433.357 5.081 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H]1c2ccccc2CCN1C(=O)OC(C)(C)C 1922094016 HWRYSJCWGKLGDT-DQEYMECFSA-N 436.596 5.272 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@@H](C#N)N(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)cc1 1944076549 VENKZQDBQMDCRA-RBUKOAKNSA-N 431.533 5.014 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)C[C@H]1CC(C)C 1944819607 JNGVYIFADIGLED-GLDPYIMESA-N 437.625 5.587 30 10 IKEE C#CCCCCCNC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC 1995007483 WFYDHTPVBGJFJH-FNZWTVRRSA-N 446.591 5.250 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@@H](C#N)[C@]1(C)CCCN1C(=O)OC(C)(C)C 2020803818 VYRZHPYDGYDGPY-MBSDFSHPSA-N 433.524 5.249 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@@H](C#N)[C@]1(C)CCCN1C(=O)OC(C)(C)C 2020803912 WYOZSKJKJABOHW-MBSDFSHPSA-N 449.979 5.763 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@H](NC(=O)OC(C)(C)C)C(C)C)c1 2028026482 CYEHSSMVLLPNMF-DVECYGJZSA-N 447.576 5.268 30 10 IKEE N#Cc1c(SCC(=O)N2CCCC2)nc2c(c1-c1ccco1)CCC2=Cc1ccco1 2040467016 RYVCBNHFYMOMAT-UHFFFAOYSA-N 431.517 5.008 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CCC[C@H]2[C@H]1CCN2C(=O)OC(C)(C)C 2052946691 XUTLEOYXOOHZJV-NDBXHCKUSA-N 442.644 5.553 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@H]3CC[C@H]32)c1 2057583840 AMWMKURZOZLVGD-RNHFSVANSA-N 441.572 5.418 30 10 IKEE C#CC(C)(C)CC(=O)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071345903 RDYBWDSASJIODI-MHZLTWQESA-N 428.528 5.497 30 10 IKEE Cc1ccc([C@@H](C(C)C)n2nc(C(C)(C)C)c(/C=N/O)c2I)cc1 2079037366 HXLXKFKMKXHSFW-BTZNOAQDSA-N 439.341 5.147 30 10 IKEE Fc1c(-n2nc(C3CCC3)c(C(F)(F)F)c2Br)cccc1C(F)(F)F 2079825706 AWMNQGFXZIRFBE-UHFFFAOYSA-N 431.149 6.079 30 10 IKEE CC(C)[C@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(C)(C)C)c(C#N)c1Br 2079945948 ODTLYIWLFBBVEE-OAHLLOKOSA-N 446.286 6.218 30 10 IKEE Nc1c(C(F)(F)F)nn([C@H](c2ccc(C(F)(F)F)cc2F)C2CC2)c1Br 2079979690 SYWRBJFNWZMRKC-NSHDSACASA-N 446.164 5.404 30 10 IKEE COc1ccc([C@@H](n2nc(C(F)F)c(C=NO)c2Br)C(C)(C)C)cc1C 2080043016 OLPODYUOCIPUEH-OAHLLOKOSA-N 430.293 5.344 30 10 IKEE CC[C@@H]1C[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)C[C@@](C#N)(NC(C)C)C1 2118760237 GYPMCONLUFDGDP-ZJGIAAPESA-N 446.683 5.460 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(Cl)ccc(Br)c1F 2122139563 SZILBWSSHJYERS-WMLDXEAASA-N 449.792 5.752 30 10 IKEE CO[C@H]1CC(C)(C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2162039120 ONDYWTSZICUFEQ-LAUBAEHRSA-N 437.378 5.678 30 10 IKEE C=CC1(C[C@@H](NCCC)c2cc(Br)ccc2I)CCC1 2168028450 MNMLNPSJZRXVNG-MRXNPFEDSA-N 448.186 5.841 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1cnc(C(C)(C)C)[nH]1 2169531862 QAQBKYUHPGOART-MRXNPFEDSA-N 433.350 5.476 30 10 IKEE CC[C@H]1CN(C(=O)OC(C)(C)C)[C@H](CC)CN1c1cc(Br)c(C#N)cc1F 2174808665 QOPAFHDEFZZBII-LSDHHAIUSA-N 440.357 5.074 30 10 IKEE CCN(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1cc(Br)c(C#N)cc1F 2174814600 JQLNYIUNEYWSBK-HNNXBMFYSA-N 440.357 5.076 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)C1=CC[C@H](C(C)(C)C)CC1 2181549611 GHVANVAUDIDDCB-HNNXBMFYSA-N 436.390 6.751 30 10 IKEE CCCCCC#CC[C@H](NCC)c1ccc(I)c(Br)c1 2203822903 LXXKGEDJINMJOD-KRWDZBQOSA-N 448.186 5.678 30 10 IKEE CCCC#CC[C@@H](NCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237428202 JWNNQPZXLZUMCN-UXHICEINSA-N 437.422 5.057 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)[C@]2(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 2249562388 DYHGDKKDDBNHRK-MICWEPACSA-N 447.963 5.231 30 10 IKEE CCCN[C@H](C#Cc1ccccc1F)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2255269285 KWYROICNFZTIBY-DEOSSOPVSA-N 438.587 5.763 30 10 IKEE C=CCCC1(C(=O)Cc2ccc(Cl)c(Br)c2)CN(C(=O)OC(C)(C)C)C1 2266229341 XXLAZYDDZRICNR-UHFFFAOYSA-N 442.781 5.417 30 10 IKEE Cc1ccccc1N=C1SC(=C2Sc3ccccc3N2C)C(=O)N1c1ccc(O)cc1 2295203883 RVSPVHVYWIMLIF-UHFFFAOYSA-N 445.569 5.879 30 10 IKEE Cc1ccc([C@@H]2C(=C(O)c3ccco3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 2296931324 FEGKTRBVPUAEJG-HXUWFJFHSA-N 430.485 5.132 30 10 IKEE Cc1ccc(C)c(N=Cc2cc(C)n(-c3ccc(I)cc3)c2C)c1 2297708654 CMTFTCNVYACLQC-UHFFFAOYSA-N 428.317 6.066 30 10 IKEE Cc1ccccc1N=C1NC(=O)C(=Cc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)S1 2313514078 XPJOYSVOXIQYGK-UHFFFAOYSA-N 439.880 5.708 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3)cc2OC)cc1OC 2314429710 MWKZGQPESDSWGM-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE CCN1C(=O)C(=Cc2cccc(OCc3ccc(C)cc3)c2)SC1=Nc1nccs1 2314543124 WEARCPFWTSIMOD-UHFFFAOYSA-N 435.574 5.654 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(Cl)cc2Cl)SC1=Nc1cccc(C(=O)O)c1 2314547149 DJOOOLQPFVEPRT-UHFFFAOYSA-N 433.316 5.482 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cc(Br)ccc1F 2321178422 OCGZFBQIGAWWIJ-UHFFFAOYSA-N 439.741 5.316 30 10 IKEE Cc1ccccc1COc1ccc(C=Nn2cnnc2SCc2ccc(F)cc2)cc1 2321240832 XNZFFNUCOFJJJW-UHFFFAOYSA-N 432.524 5.479 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc4c3CN([C@H](C)c3ccc5c(c3)CCCC5)CO4)C2=O)o1 2322259198 TXSSFDHBAXRTBM-GOSISDBHSA-N 441.527 5.996 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2nccs2)c(C)c1 2322572925 QTRXKTYENIKQSO-UHFFFAOYSA-N 426.925 5.327 30 10 IKEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cn(C)c4ccccc24)C3=O)cc1 2322687530 UNQFELQOXRZEEN-UHFFFAOYSA-N 439.467 5.331 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc(C)c(C)c1 2322899770 KCDRXNGKMAEWSP-UHFFFAOYSA-N 447.962 6.433 30 10 IKEE O=C1C(=Cc2ccccc2OC(F)F)Oc2cc(OC(=O)C(Cl)(Cl)Cl)ccc21 2323035002 GOGIXITWYSNTCQ-UHFFFAOYSA-N 449.620 5.180 30 10 IKEE O=C(COc1cccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)c1)NCc1ccccc1 2323044175 FCZBTUINGRQONY-UHFFFAOYSA-N 447.534 5.945 30 10 IKEE CCCCCCCCCOc1ccc(C=NNS(=O)(=O)c2ccccc2)cc1OCC 2323097808 CGXZSCNXGOJETE-UHFFFAOYSA-N 446.613 5.527 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1OCc1c(F)cccc1Cl 2323230345 MTCQZVNYCSCRNT-UHFFFAOYSA-N 432.825 6.241 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1cccc(OCc2cc(C)ccc2C)c1 2323258893 BAVCEODVUJYBAP-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1OCc1ccc(C)cc1 2323327398 HGKRIWFCHPJQNT-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC)c3ccccc23)cc1OCc1cccc(F)c1 2323328271 SAKOVRLUCZUCGN-UHFFFAOYSA-N 442.486 6.471 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccccc1C 2323532133 LNAQZOYXNONTCL-UHFFFAOYSA-N 441.354 7.176 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Cl)c1OCCc1ccccc1 2323719327 IOQKPGPIOUTSNE-UHFFFAOYSA-N 428.862 6.144 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Cl)c1OCc1cc(C)ccc1C 2323943454 UMRYIQAOXLZKFU-UHFFFAOYSA-N 434.963 7.057 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3c(CN4CCCC[C@@H]4C)c(O)cc(C)c3C1=O)cn2C 2324010373 QVORPWOAQRVGKT-KRWDZBQOSA-N 446.547 5.192 30 10 IKEE COC(=O)COc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1Br 2324064171 HHOWSBNWNNDFDN-UHFFFAOYSA-N 431.326 5.195 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(F)cc2)c(Br)c1)c1ccc(F)cc1 2324187091 QCESHTKRNHBABL-UHFFFAOYSA-N 429.260 6.202 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc(OC)c1OCCCO 2324234458 IXFZTFDJUCERAC-UHFFFAOYSA-N 438.564 5.387 30 10 IKEE O=C1C(=Cc2ccccc2Br)Oc2cc(OCCCc3ccccc3)ccc21 2324269031 YVKFQRUKORIYAX-UHFFFAOYSA-N 435.317 6.077 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2OC)o1 2324456022 LQMLUDQTAQKLOS-UHFFFAOYSA-N 434.488 5.557 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCc4cccc(C(=O)OC)c4)cc(C)c3C2=O)cc1 2324753211 RAKYSOFCQADKAF-UHFFFAOYSA-N 444.483 5.376 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O 2325005050 KLNQJHSXWBVCRA-UHFFFAOYSA-N 431.463 5.330 30 10 IKEE CCCOC(=O)[C@H](CC)Oc1ccc2c(c1)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2325079203 DSKNKYKZQFYJON-DEOSSOPVSA-N 442.511 6.080 30 10 IKEE C=CCN(Cc1ccccc1)[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 2325504959 KXLRKOYOODAUDC-AREMUKBSSA-N 442.600 5.232 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1c(F)cccc1Cl 2325532492 ISWIHWVPGDOBTC-UHFFFAOYSA-N 437.371 6.241 30 10 IKEE CCCc1nnc(SCc2cccc(F)c2)n1N=Cc1c(OC)ccc2ccccc12 2325548654 DNHDFMASFUWXHQ-UHFFFAOYSA-N 434.540 5.706 30 10 IKEE CCCOc1ccccc1NC(=O)C(=O)C=Cc1ccc(OCc2ccccc2)c(OC)c1 2325652539 FNESOOPWWSEOQH-UHFFFAOYSA-N 445.515 5.284 30 10 IKEE O=C(Cc1ccc(Cl)cc1)Oc1cccc(C=CC(=O)c2ccc(Cl)cc2Cl)c1 2325709066 UAVVRWHSIIIENB-UHFFFAOYSA-N 445.729 6.691 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccccc3[N+](=O)[O-])c2)cc1 2325734159 IAFRANPLBVKQKM-UHFFFAOYSA-N 447.443 5.117 30 10 IKEE COc1ccccc1CCC(=O)Oc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC 2325740081 OOTKQUXPZRXQJS-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)Cc2cccs2)c1 2325763872 ORVOKPVMVZLDPC-UHFFFAOYSA-N 426.921 5.763 30 10 IKEE CCc1ccc(CCC(=O)Oc2cccc(C=CC(=O)c3c(C)cc(C)cc3C)c2)cc1 2325764861 XPTAVQOBDHVAEM-UHFFFAOYSA-N 426.556 6.609 30 10 IKEE C=CCSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1sccc1C 2325913432 DRQUFOILOZEFDW-UHFFFAOYSA-N 439.393 5.694 30 10 IKEE C=CCSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1ccccc1C 2325952333 WHBFYCABEUDXBQ-UHFFFAOYSA-N 427.371 5.100 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCC=C)n1N=Cc1ccc(Cl)cc1 2326473495 BHEKQSYLCYTMND-UHFFFAOYSA-N 440.956 5.236 30 10 IKEE CCn1cc(C=Nn2c(C)nnc2SCc2ccc(Cl)cc2Cl)c2ccccc21 2326698927 NOSLPUGNXJDROJ-UHFFFAOYSA-N 444.391 6.042 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1c(F)cccc1Cl 2326705679 JCNFWZIWIBNCHU-UHFFFAOYSA-N 443.762 6.114 30 10 IKEE CCCSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc(C(C)C)cc1 2327980056 KUAAXHRHYJXATG-UHFFFAOYSA-N 427.017 6.224 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1cc(Cl)ccc1O 2328567191 DFOGJIYLLMGFCP-UHFFFAOYSA-N 442.972 5.177 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3C)n2N=Cc2ccc(O)cc2)c1 2329477798 OIUSXQOOHPGMRA-UHFFFAOYSA-N 442.588 5.560 30 10 IKEE CCc1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCCc2ccccc2)cc1 2329853926 FHZWNNDDDPPWHP-UHFFFAOYSA-N 444.579 5.787 30 10 IKEE COc1cc(C=Nn2c(SCc3ccc(C)cc3)nnc2-c2cccs2)ccc1O 2330530239 XIHKYKBYSUUMSR-UHFFFAOYSA-N 436.562 5.204 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccccc3F)nnc2-c2cccs2)cc1O 2330583763 RIVJJRUHMPBHSP-UHFFFAOYSA-N 440.525 5.034 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(CC(C)(C)C)n1N=Cc1ccccc1C 2330808842 WYHRJLQLDNCRTJ-UHFFFAOYSA-N 449.624 5.351 30 10 IKEE CCCOc1ccccc1C=Nn1c(CC(C)(C)C)nnc1SCCc1ccccc1 2330850992 VHWYBOMOJJPBDB-UHFFFAOYSA-N 436.625 5.873 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3ccccc3C)cc2)cc1C 2330855791 YYDISYNBQXHHAT-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)ccc1OC(=O)Cc1ccc(F)cc1 2330977001 NXROBTRXVGCUFV-UHFFFAOYSA-N 434.463 5.277 30 10 IKEE CCc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2[C@H]2CCCO2)cc1 2331007366 MDFWYDBOONIVDI-HXUWFJFHSA-N 444.963 5.659 30 10 IKEE Cc1ccsc1C=Nn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1C1CCCC1 2331048905 IFHWADSQNKKDKA-UHFFFAOYSA-N 427.555 5.388 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)COc1ccc(C)c(C)c1 2331179128 FJLSAWBXSNGHTJ-UHFFFAOYSA-N 430.500 5.583 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1ccc(Cl)cc1 2331344256 AKZSNSVSQRMDQS-UHFFFAOYSA-N 438.882 6.302 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3[N+](=O)[O-])c(Cl)c2)cc1 2331496399 SRJSEJSNJSYPIC-UHFFFAOYSA-N 449.890 6.487 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(C3CCC3)n2N=Cc2c[nH]c3ccccc23)cc1 2331500803 ADFGYKPUOSQPNP-UHFFFAOYSA-N 432.509 5.110 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)c1cc(C)cc(C)c1 2331512206 OGCRHBBFODLBFB-UHFFFAOYSA-N 438.882 6.220 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2Cl)c1 2331523018 UVDDDAJJUGHYPU-UHFFFAOYSA-N 438.882 5.922 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3)c([N+](=O)[O-])c2)c(C)c1C 2331618306 JXYPBUWNNZKMMQ-UHFFFAOYSA-N 445.471 5.264 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OC(=O)CC(C)C)c([N+](=O)[O-])c1 2331747067 CMPODBAVYMSMBH-UHFFFAOYSA-N 431.872 5.413 30 10 IKEE C[C@@H](C(=O)Oc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1)c1ccccc1 2331859865 YFYRZWPFAXUWLX-MRXNPFEDSA-N 425.311 6.599 30 10 IKEE C=CCC(CC=C)[C@@H](NCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2338736056 QQBRTKGGHVBELL-SSEXGKCCSA-N 441.615 7.264 30 10 IKEE CC1(C)C[C@@H](N(Cc2ccccc2)c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CO1 2339582960 SZGRRTNPZHGEHK-JXVRESAISA-N 434.389 5.300 30 10 IKEE C=C[C@](C)(CN[C@@H](C)CC)Cc1ccc(I)c(Br)c1 2349917099 OCPREDUGSKKOQS-LRDDRELGSA-N 436.175 5.177 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1C(C)(C)C(=O)C#Cc1ccc(Br)cc1 2363491247 BUNZAOZJQASRAW-SFHVURJKSA-N 434.374 5.186 30 10 IKEE CCCN[C@@H](C#Cc1nc(C)cs1)c1cc(Br)sc1Br 2363727229 HCIYRNCOLZMUFC-NSHDSACASA-N 434.222 5.130 30 10 IKEE CC1(C)C(=S)N(c2ccccc2Cl)/C(=N/C2CCCCC2)[C@@H]1N1CCSCC1 15861713 KIBGZXXEKNJNQP-YVTHNELYSA-N 436.090 5.662 30 10 IKEE C=CCn1c(C)nnc1SCC(=O)Nc1ccccc1SCc1ccccc1Cl 20425272 GJULVVIKQRNEEB-UHFFFAOYSA-N 445.013 5.449 30 10 IKEE CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N=C(c2ccccc2)c2ccccc2)cc1 25338126 PIBKEOWEXYQDHE-UHFFFAOYSA-N 448.588 5.175 30 10 IKEE Cc1noc2c1[C@@H](c1cccc(Br)c1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 28051622 ACQYNELHLXNPJA-IIBYNOLFSA-N 435.321 5.704 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2nc(-c3ccc4oc(=O)[nH]c4c3)cs2)c1 31849660 HEYCRUYAXRTJLJ-UHFFFAOYSA-N 434.521 5.335 30 10 IKEE O=C(/C=C\c1cccc([N+](=O)[O-])c1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O 33246218 BCXHNAPLPBHTEH-XFXZXTDPSA-N 430.847 5.653 30 10 IKEE Cc1ccc(C)c(COc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2Cl)C3=O)c1 33513941 RKFIONQRIVQWIE-JJFYIABZSA-N 425.311 6.805 30 10 IKEE CN1C/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)C1 34871440 WGSNOXYOCARBGX-GEMWTQJRSA-N 427.158 6.282 30 10 IKEE C=CCN1C(=O)c2[nH]nc(-c3cc(C)cc(C)c3O)c2[C@H]1c1ccc(OCCCC)cc1 39912100 QIAUOGFSHPGCRU-XMMPIXPASA-N 431.536 5.309 30 10 IKEE CC1=C(C)C(=O)C(CC[C@@](C)(O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)=C(C)C1=O 64261574 LTVDFSLWFKLJDQ-SYZUXVNWSA-N 446.716 7.761 30 10 IKEE in-man CCCCCCCOc1ccc(C(=O)NC(=S)Nc2ccc(N(C)C(C)=O)cc2)cc1 100153922 XLHSHUXHOWNXSB-UHFFFAOYSA-N 441.597 5.145 30 10 IKEE CCCCCCCn1c(CCCNC(=O)COc2cc(C)ccc2C)nc2ccccc21 102159652 NTIJFHZCHLFZAF-UHFFFAOYSA-N 435.612 5.751 30 10 IKEE COc1cccc(/C=N\n2cnnc2SCc2ccccc2)c1OCc1ccccc1 138216495 DRCAOGDPIJTVKW-YSMPRRRNSA-N 430.533 5.040 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Br)c(C)c2)c(C)c2cc(C(C)C)ccc21 169870319 PPLJWYSZQOXLTB-UHFFFAOYSA-N 425.370 6.582 30 10 IKEE CCOc1c(Cl)cc([C@H]2NC(=S)N(CC)C(C)=C2C(=O)c2ccccc2)cc1OC 169932052 LEVFBIQLCRHDJV-HXUWFJFHSA-N 444.984 5.155 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2cccc(C)c2)c1 169966121 LMTDYQQDXMGOCZ-SANMLTNESA-N 449.506 5.940 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@H]2c2cccs2)cc1C 169986934 CYUIMJNQWCGZPF-NRFANRHFSA-N 437.948 6.110 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3O)[C@@H]2c2cccs2)ccc1F 169987406 JZTKUCLQLSTHMP-LJQANCHMSA-N 443.883 5.338 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2cccnc2)cc1C 170013131 MYDDZJMAQGAFPE-OAQYLSRUSA-N 441.512 5.091 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccc(F)cc2)cc1 170061832 LKTDTNVZIRDJRO-HSZRJFAPSA-N 431.463 5.180 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1cccc(OC(C)C)c1 170153253 MWSRCBVBXHDCQU-BXKMTCNYSA-N 449.547 5.176 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccn2)cc1C(C)C 170169793 RFOWFMZKXKJQHH-QHCPKHFHSA-N 446.478 5.136 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1ccccn1 170171423 VGGJBFFTPYALDB-QHCPKHFHSA-N 442.515 5.176 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2cccnc2)c(C)c1 170190431 IIDULISQOLQPAR-DEOSSOPVSA-N 442.515 5.269 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 170237385 OCNMPLUXKCOBSW-IBGZPJMESA-N 427.884 5.319 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(F)cc2)cc1 170238303 HYDZOABETFKQLE-QHCPKHFHSA-N 449.453 5.535 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@H]1c1ccc(F)cc1 170243132 DKTWCKXFBZPJCG-HSZRJFAPSA-N 439.527 5.726 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1cccc(O)c1 170258430 XORLUEDQOJUGOV-QHCPKHFHSA-N 443.499 5.109 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1Cc1ccccn1 170274521 MZUVHKDQZRWNRT-VWLOTQADSA-N 434.495 5.322 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccco1)c1cccc2ccccc12 170281994 SGWBDXLUPYOXOV-JOCHJYFZSA-N 431.394 5.494 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccco2)cc1C 170285023 UCRJEITXIREDLG-QHCPKHFHSA-N 431.488 5.467 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccco1)c1ccc2ccccc2c1 170286710 MMDXOLIWOOCURP-JOCHJYFZSA-N 429.859 5.869 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc(OC(C)=O)c1 170321127 DBTCHZQTJPTUBW-XMMPIXPASA-N 443.499 5.144 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(OCC(C)C)cc2)c1 170344656 ZWTHWMJELCAYST-RUZDIDTESA-N 441.527 5.813 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(Cl)cc(Cl)c2)[C@@H]1c1ccc(F)cc1)c1ccncc1 170377130 IXIDIDJBGCRWMN-LJQANCHMSA-N 443.261 5.310 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2cccc(C(F)(F)F)c2)o1 170424684 KBXOZHXPTURDBY-HXUWFJFHSA-N 441.405 5.385 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2nc3ccc(C(C)(C)C)cc3s2)[C@H]1c1ccccn1 170479589 VMAXDQBQHOYHKJ-IBGZPJMESA-N 449.576 5.504 30 10 IKEE COc1ccc(/C=C2\SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1OC 252626180 QXYJCFCFJPHJHK-GCNWNYGFSA-N 444.556 6.129 30 10 IKEE COc1ccc(N=CC2=C(c3cccs3)Oc3ccccc3[C@H]2c2ccccc2C)cc1 252630928 VFZJJXPBAFCJGD-HHHXNRCGSA-N 437.564 7.403 30 10 IKEE C[C@@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@]43C)[C@@H]1CC/C2=N\N=C\c1ccccc1C(F)(F)F 253563314 FHIHDASURXFVSB-RBHILTGASA-N 444.585 7.913 30 10 IKEE C=C([C@@H](NCCC)c1cc(I)ccc1Br)C(F)(F)F 388464159 CUXLNSPOMYORNI-GFCCVEGCSA-N 448.064 5.213 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1ccc(N(CC)CC)cc1 526811409 JUTFEUXOAKBYJQ-IMRQLAEWSA-N 449.668 6.258 30 10 IKEE COc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)c(Br)c1 698896061 VXCRRSKWIDXUBL-GOSISDBHSA-N 435.293 5.603 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2ccc(Br)cc2F)cc1 698954796 CKWCFLSECKJYDK-SFHVURJKSA-N 435.293 5.603 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCc2ncccc2C1 710751523 HQMQQOKAAOITGH-NRFANRHFSA-N 428.330 5.037 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@]1(C#N)CCc2ccc(Br)cc21 710815685 DWXNHUKWMZNWNX-JOCHJYFZSA-N 427.342 5.551 30 10 IKEE C=C(C)CNC(=S)/C(=C(/O)c1cc(Cl)ccc1Cl)[n+]1cccc(O)c1Cl 735666455 LOBIDGTWIXDGJP-UHFFFAOYSA-O 430.764 5.017 30 10 IKEE Cc1ccc(N=Cc2ccccc2OCc2ccccc2)cc1I 1083908339 DBWCMVMEIRXVAZ-UHFFFAOYSA-N 427.285 5.929 30 10 IKEE Cc1ccc(Cn2cc(/C=C3\SC(=Nc4ccc(F)cc4)NC3=O)c3ccccc32)cc1 1084472155 DAPSSRKXLQFYLG-OYKKKHCWSA-N 441.531 6.029 30 10 IKEE COc1ccc(/C(C)=C2\SC(=Nc3ccncc3Cl)N(C3CCCCC3)C2=O)cc1 1772736522 LJOYTUKNVXTGGW-VHDUERLVSA-N 441.984 6.070 30 10 IKEE CC[C@H](C)N(C(=O)Cc1c(F)cccc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1859899740 VDSDPEIABWOBFP-NSHDSACASA-N 439.346 6.377 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@H](C)Oc1cccc(NC(=O)c2cccc(C#N)c2)c1 1860132170 BKODTBYGGYIWED-SFHVURJKSA-N 427.504 5.087 30 10 IKEE Cc1c(Cl)cccc1NC(=O)[C@@H](C)Oc1cccc(NC(=O)c2cccc(C#N)c2)c1 1860132746 JBVROFAEILFOLB-MRXNPFEDSA-N 433.895 5.178 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccc(O)c2)cc1 1862389825 OORMLBUNWLYIGT-QHCPKHFHSA-N 447.556 5.575 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCC)cc1 1862438033 DTYGSIYNIPSKTE-QFIPXVFZSA-N 441.955 5.897 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(Cl)c(Cl)c1 1862442272 DECMBSBALKSDTI-GOSISDBHSA-N 438.738 6.025 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCc2ccccc2)cc1 1862502412 ZCKJJWBFVIBJHJ-RUZDIDTESA-N 443.518 5.518 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@H]1c1cccc(Cl)c1 1862516052 HOYKGBAJVAVOIR-JOCHJYFZSA-N 441.955 5.897 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2cc(Cl)cc(Cl)c2)cc1 1862521599 MEAOEIMWCBZUDL-HXUWFJFHSA-N 448.346 5.771 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(OC)cc3)[C@@H]2c2ccccc2F)cc1 1862529609 ILDYNCFKRXFXLG-XMMPIXPASA-N 445.490 5.175 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccccc1Cl 1862535588 GJQHOXIXJNTCPT-JOCHJYFZSA-N 425.956 6.061 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc2cc[nH]c2c1 1862594882 IPJJFOCGYVOPHO-UPCLLVRISA-N 438.483 5.213 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(C(C)C)cc1 1862617626 YHIZDKNLDJQJFO-KOSHJBKYSA-N 433.592 6.484 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(F)ccc2F)=C(c2ccccc2OC)C1=O 1863431999 OMEQVWXQUHZJBZ-UHFFFAOYSA-N 442.506 5.526 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N1CCN[C@H](c2ccccc2)C1=O 1866342791 ZHMKCROCEBNWMU-HHHXNRCGSA-N 442.688 6.948 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N2CCC(C)CC2)nn1-c1ccccc1Cl 1869936875 URQSGKNWKUNPSC-UHFFFAOYSA-N 432.012 5.846 30 10 IKEE CCCCCCCCn1cc(OCC)c(=O)cc1CN1CCC(Cc2ccccc2)CC1 1870362853 HLEUBMNRBHJMNF-UHFFFAOYSA-N 438.656 6.062 30 10 IKEE CCCCCCCCn1cc(OCCCC)c(=O)cc1CN(CCO)Cc1ccccc1 1870663953 OMDKMCAMKFSTTO-UHFFFAOYSA-N 442.644 5.382 30 10 IKEE CCCCCCCCCCn1cc(OCCCCC)c(=O)cc1CN1C[C@@H](C)C[C@@H](C)C1 1870678740 JRKSESMCNPAAEK-PLQXJYEYSA-N 446.720 7.036 30 10 IKEE CCCCCCCCn1cc(OCCc2ccccc2)c(=O)cc1CN1CCCCCC1 1870691498 IKZFMKCKYJOHRM-UHFFFAOYSA-N 438.656 6.206 30 10 IKEE CCCCCCCOc1cn(CCCOCC)c(CNc2cccc(C)c2C)cc1=O 1870830214 IHMKDJJMRCFPOS-UHFFFAOYSA-N 428.617 5.853 30 10 IKEE CCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(C(C)C)cc1 1871251254 VJLZPHQUJWDFLO-UHFFFAOYSA-N 429.564 5.835 30 10 IKEE Cc1cc(C)cc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCC(C)C)c1 1871252274 RYBMOZYPXPJCPQ-UHFFFAOYSA-N 429.564 5.574 30 10 IKEE Cc1ccc(Cl)cc1NCc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCC(C)C 1871255010 PROZJIZYULHKEG-UHFFFAOYSA-N 449.982 5.919 30 10 IKEE CCOCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1c(Cl)cccc1Cl)C3=O 1871350739 RQPWFWZIWPZBFU-JAIQZWGSSA-N 448.346 5.497 30 10 IKEE Cc1cc(O)c(CN(Cc2ccccc2)C(C)C)c2c1C(=O)/C(=C/c1cccc(Cl)c1)O2 1871393835 MTZFVJFWQYRZAV-OYKKKHCWSA-N 447.962 6.381 30 10 IKEE COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OCCc3ccccc3)cc(C)c2C1=O 1871400038 CNWUUJUNRJVUDQ-QFEZKATASA-N 446.499 5.259 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccc(C)cc4C)cc(C)c3C2=O)cc1 1871413431 GSEXPFISJYTUOS-FQOPDIHJSA-N 441.527 5.942 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccc(C)cc4C)c3C)C2=O)cc1 1871418815 PDNYVMVFCKKEQZ-OYKKKHCWSA-N 427.500 5.554 30 10 IKEE Cc1cccc(C(C)C)c1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1cccs1)C2=O 1871422582 SCVSFMDKDBPPKJ-XKZIYDEJSA-N 447.556 6.122 30 10 IKEE COc1cccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4c(C)cccc4C)ccc3C2=O)c1 1871431845 OZGAOGJYIQLDIL-YNJLWJOVSA-N 443.499 5.334 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OC(c4ccccc4)c4ccccc4)c3C)C2=O)c1 1871432004 YHWDIVALOYBYFD-DIBXZPPDSA-N 448.518 6.788 30 10 IKEE CC(=O)Nc1ccc(C(=O)COc2ccc3c(c2C)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871432863 POMAVHPPYMICAU-QFEZKATASA-N 441.483 5.140 30 10 IKEE CCOC(=O)c1ccc(COc2cc(C)c3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)o1 1871439120 IOCWOUQOEOYCGU-NHDPSOOVSA-N 438.863 5.613 30 10 IKEE CC(C)OC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)o1 1871439185 MKZKQQBGMUYEQP-MXAYSNPKSA-N 446.499 6.163 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(Cl)cc2)cc2c1C(=O)/C(=C/c1ccc(F)cc1)O2 1871440910 NKSWNLFRTSXTTG-NHDPSOOVSA-N 437.854 5.421 30 10 IKEE CCN(CC)CCOc1ccc2c(c1)O/C(=C\c1cn(CC)c3ccc(OC)cc13)C2=O 1871452007 YTPPOLSTTLOANH-QFEZKATASA-N 434.536 5.007 30 10 IKEE CCCCCCCCN=c1nc(N(C)Cc2ccccc2)[nH]c(=Nc2ccc(C)cc2C)[nH]1 1871602213 GQSLDSJBAASDMR-UHFFFAOYSA-N 446.643 5.485 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1cccs1 1872226159 UWYWOXLNCAKWNH-SFHVURJKSA-N 441.018 5.022 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(Cl)c(C)c3)n2)cc1C 1872765505 QPPDVDPQXIVDHX-KRWDZBQOSA-N 426.925 5.344 30 10 IKEE N#C[C@H](C(=O)CCc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872770179 MICKXHLVEYQMLM-OAHLLOKOSA-N 435.763 6.579 30 10 IKEE COc1ccc(C)cc1-c1csc([C@H](C#N)C(=O)c2cc([N+](=O)[O-])ccc2Cl)n1 1872770724 CMYGJAPOOYRWMA-OAHLLOKOSA-N 427.869 5.179 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)Cc3c[nH]c4ccccc34)n2)cc1C(C)C 1872779186 DGLYXIVMJIDADJ-OAQYLSRUSA-N 443.572 6.151 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3c(F)cccc3Cl)n2)c(OCC)c1 1872783730 GPJPXQCIBOWSLO-HNNXBMFYSA-N 444.915 5.890 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@@H]2CCCC[C@H]2C)=C(c2cccnc2)C1=O 1873081174 HSDSLADYKMKQRG-IFMALSPDSA-N 425.617 5.471 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccccc2)C1=O 1873413051 JHCDHYOWGPUVDY-UHFFFAOYSA-N 429.564 5.891 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C(C)(C)C)cc2)cc2c(NCc3ccccn3)ncnc21 1873633529 QPIUOEIMKHWSLB-UHFFFAOYSA-N 440.551 5.174 30 10 IKEE C=CCSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1cccc(C)c1 1874198434 BFINKRQXTXFVRJ-ZXVVBBHZSA-N 442.588 5.912 30 10 IKEE CCSc1nnc(CCc2ccc(OC)c(OC)c2)n1/N=C/c1cccc2ccccc12 1874218979 OTAPLUBRYYRQMU-YZSQISJMSA-N 446.576 5.228 30 10 IKEE C=CCSc1nnc(COc2ccc(OCC)cc2)n1/N=C/c1c(F)cccc1Cl 1874236639 RYIYGOCBGZLLBT-ZMOGYAJESA-N 446.935 5.209 30 10 IKEE CCCOc1ccccc1/C=N/n1c(COc2c(C)cccc2C)nnc1SCCC 1874300024 DXDXGKYRWZIVNJ-PCLIKHOPSA-N 438.597 5.647 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(Cc2ccc(OCC)cc2)nnc1SCCC 1874304250 OYDRZOFLGYNJQS-XIEYBQDHSA-N 436.581 5.217 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3F)n2/N=C/c2ccco2)cc1C 1874320951 RRVMADLIPSODGU-DHRITJCHSA-N 436.512 5.381 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1ccc2c(c1)OCCO2 1874330679 ZFDNJAHFLWOYCP-CVKSISIWSA-N 448.592 5.002 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874395741 UQJRSVQIITTYRF-OAKZWBAKSA-N 443.532 5.513 30 10 IKEE CCCSc1nnc(CC2CCCCC2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874409484 ZKLZTTIGRUPYLC-ZXVVBBHZSA-N 448.636 6.364 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(Cc2ccccc2)n1/N=C/c1cccs1 1874419700 AFGNNCAPEBRPDG-ZMOGYAJESA-N 442.972 5.897 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3ccc(C(=O)OC)o3)nnc2-c2ccccc2)cc1 1874428209 WTENACNPJNUWNO-MFKUBSTISA-N 446.532 5.062 30 10 IKEE Oc1ccc(Cl)cc1/C=N/n1c(SCc2ccc(Cl)cc2)nnc1[C@H]1CCCO1 1874450276 XUQOFOQETGEMJA-TYLRVVQJSA-N 449.363 5.317 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2ccccc2C)nnc1C1CCCC1 1874452208 JOROPNOYAXJBNT-YZSQISJMSA-N 434.609 6.207 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2ccc(C)cc2)cc1 1874452923 VIRBXEDSJPCXCO-WGOQTCKBSA-N 447.608 5.420 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2c(Cl)cccc2Cl)nnc1C1CCCC1 1874456780 KFJGSMNFPKJWCB-DHRITJCHSA-N 445.419 6.725 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C(F)(F)F)c1 1874461373 KIZDCEKBPAKGEF-BHGWPJFGSA-N 440.878 5.524 30 10 IKEE O=C(O)c1ccccc1/C=N/n1c(SCc2ccccc2Cl)nnc1-c1ccco1 1874467148 UCWJYGDCMCXTRO-FSJBWODESA-N 438.896 5.064 30 10 IKEE Cc1ccccc1NC(=O)CSc1nnc(CC(C)C)n1/N=C/c1ccc(C(C)C)cc1 1874489252 IGETZBLLIFRJMZ-CVKSISIWSA-N 449.624 5.521 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1c(OC)ccc2ccccc12 1874507661 OBCWFXCOWYHEIC-JVWAILMASA-N 444.604 6.184 30 10 IKEE CCOc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2C2CC2)cc1OCC 1874521413 RCKTYVQFQVAGNC-KOEQRZSOSA-N 436.581 5.170 30 10 IKEE CCCOc1ccc(/C=N/n2c(C)nnc2SCc2ccc(F)cc2)cc1OCC 1874530255 YVPOCJNCXCSWNP-ZVHZXABRSA-N 428.533 5.088 30 10 IKEE C=CCSc1nncn1/N=C/c1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 1874539102 NDGHDECTGSBHDN-BHGWPJFGSA-N 449.363 5.333 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2c(OCc3ccccc3C)ccc3ccccc23)cc1 1874574049 SAKWUZQCEXCKOE-FMQUCBEESA-N 434.579 7.966 30 10 IKEE Cc1ccc(C(=O)/C=C/c2c(OCC(=O)Nc3ccccc3)ccc3ccccc23)c(C)c1 1874578958 OVUJRDAFKDOFDH-FOCLMDBBSA-N 435.523 6.370 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccccc2Cl)c1 1874581150 ZDWIDXVUIGCNJB-JXMROGBWSA-N 443.326 6.486 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1c(OCc2ccccc2F)ccc2ccccc12 1874585981 PQHWFXRIJHGESI-BUHFOSPRSA-N 440.514 7.079 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1Cl 1874590811 JNOSZVRITKYAGV-OUKQBFOZSA-N 446.905 7.116 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)c1OCc1ccc(C)cc1 1874590989 ZMQSPWUNDFMIBI-BMRADRMJSA-N 428.572 7.085 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2Cl)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 1874602043 REONFWZUJTWXFP-CSKARUKUSA-N 438.823 5.632 30 10 IKEE CCCOC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(CC)cc2)cc1OCC 1874605385 XVWFGQLFDSQQPT-FMIVXFBMSA-N 430.928 5.529 30 10 IKEE CC(C)COC(=O)COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1Cl 1874606137 XZSNINKIYJLNEB-XVNBXDOJSA-N 441.738 6.121 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)cc1C 1874607447 OZARGCYKBKCIFB-CSKARUKUSA-N 440.898 6.280 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3cccc(Cl)c3)cc2OC)o1 1874613341 PKGMUVWIBNJTKE-JXMROGBWSA-N 440.879 5.593 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Cl)c1OCc1ccc(F)cc1 1874618434 AIFFFQMGLUCYLN-BJMVGYQFSA-N 428.862 6.410 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)ccc1OCc1ccccc1F 1874635110 GGEUKNFAPJBMRT-SDNWHVSQSA-N 432.535 6.915 30 10 IKEE O=C(Oc1cccc(/C=C/C(=O)c2ccccc2Cl)c1)c1ccc(Br)cc1 1874696404 BBDWPFOMSHAHTK-MDWZMJQESA-N 441.708 6.218 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OC(=O)c1ccc(F)c(F)c1F 1874700718 JJHAPXVCUYEGEF-WTDSWWLTSA-N 446.808 5.881 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(OC)c1OC(=O)c1cncc(C)c1 1875104214 LUIKEJAMYJOMLB-ZHACJKMWSA-N 443.499 5.251 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC(C)C)c(Br)c2)cc1 1875106833 NAZTWTHYOQJAKS-UKTHLTGXSA-N 443.381 6.639 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC(=O)Cc1ccc(C)c(C)c1 1875122257 UQGVNWHLWPVASR-PKNBQFBNSA-N 434.919 6.010 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)CC1CCCCC1 1875122918 OXFNFHNWJXPQLP-KPKJPENVSA-N 447.358 6.774 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)Cc1ccc(F)cc1F 1875129055 ITFDIBOZLHTYTN-JLHYYAGUSA-N 448.465 5.746 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)CSc3ccccc3)c(Cl)c2)c1 1875139648 TYKSMPDDZRLTBP-ZRDIBKRKSA-N 436.960 6.551 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OC(=O)c1sccc1C 1875154863 ZVVXOSMEEINIOD-ACCUITESSA-N 442.536 6.724 30 10 IKEE O=C(COCc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1Cl 1875162899 VXUBUEWNSVBGEO-UXBLZVDNSA-N 442.845 5.637 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)c(F)c3F)cc2)c1C 1875168422 BNPABLRUAVBKEX-KPKJPENVSA-N 438.445 6.453 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc1[N+](=O)[O-] 1875180874 CQWPOSHKSVODKI-VQHVLOKHSA-N 431.872 5.557 30 10 IKEE CC(C)[C@H](NC(=O)OC(C)(C)C)[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 1941062122 RSUQBSDHCVTWQK-MBSDFSHPSA-N 435.540 5.399 30 10 IKEE Cc1sc(C)c([C@H](C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)c1Br 1944417634 GHWXLXWDZMHUKR-JTQLQIEISA-N 427.286 5.492 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCC[C@@]12CCN(C(=O)OC(C)(C)C)C2 1950304944 IIRVWFWEWKZYFD-NWVWQQAFSA-N 435.609 5.486 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@]1(C#N)CCN(Cc2ccccc2)CC12CCC2 2037439058 TXMWQAQPLBFHEO-MHZLTWQESA-N 437.628 5.895 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c1 2040976541 FWDKTKFDMGWYMK-HBNMSFMJSA-N 441.572 5.276 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)c(Br)c1)NCC 2047970422 KELIYJFFWZNQPJ-SJORKVTESA-N 431.802 5.093 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CCC[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C 2052946693 XUTLEOYXOOHZJV-VPBXCIAMSA-N 442.644 5.553 30 10 IKEE CCCCCCCCN=Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 2053612469 IDWFOMRWRJQNSK-PMERELPUSA-N 437.631 7.822 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](N)c2ccc(Br)c(Cl)c2F)C1 2063052176 QKFRGMAUPSDYIG-OAHLLOKOSA-N 433.749 5.103 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)[C@H]1C(C)(C)C 2067837959 LTWSAISWJCYTAC-KBMIEXCESA-N 449.636 5.874 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2070600087 LXWPNTDSXCDWNX-DFBJGRDBSA-N 449.636 5.876 30 10 IKEE CC[C@H](c1ccc(C)c(C)c1)n1nc(C2CCC2)c(/C=N/O)c1I 2079139965 DXPFYGJRSKQDJX-LASGFXPTSA-N 437.325 5.180 30 10 IKEE C=CCCCCCC[C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2085848332 YYPUUEPNXKBJCL-ZKMPZPQNSA-N 446.676 6.380 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@]1(C#N)CN(Cc2ccccc2)C2(CCCC2)C1 2100069177 ZQBGABCXBLLJBC-HHHXNRCGSA-N 449.570 6.048 30 10 IKEE CC(C)[C@@H](C)[C@H](CNc1cc(Br)c(C#N)cc1F)NC(=O)OC(C)(C)C 2106007076 RIFUGHPPAXDFLY-PXAZEXFGSA-N 428.346 5.057 30 10 IKEE CC(C)(C)[C@H]1CC=C(C(=O)c2cc(I)ccc2Br)CC1 2181641597 OEDJYEVCILXAFY-LBPRGKRZSA-N 447.154 6.009 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](Cc2ccc(Br)cc2)NCCC)C1 2183011002 IXQSMRAMCPRWSF-IBGZPJMESA-N 437.422 5.221 30 10 IKEE C=CCC1([C@H](NCC)c2cc(F)c(Br)cc2F)CN(C(=O)OC(C)(C)C)C1 2198173974 MONDQWNDMXMOTC-QGZVFWFLSA-N 445.348 5.191 30 10 IKEE C=CCC[C@H](C)[C@@H](NC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229134382 ZIAOYJXVLJDOAK-KFKAGJAMSA-N 425.411 5.075 30 10 IKEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc([C@@H](N)C#Cc2ccccc2Br)cc1 2235749968 PUSVRMSRLNVOHQ-QRWLVFNGSA-N 429.358 5.086 30 10 IKEE CCCCCCCC[C@@H](O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237383267 HXVPFHSQXMTGSE-VQTJNVASSA-N 442.438 5.996 30 10 IKEE CC#CCC[C@H](NCCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237410640 YBOSPWIHXBGTDH-PMACEKPBSA-N 437.422 5.057 30 10 IKEE C#CCCC[C@@H](NCCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237422597 YCTFJXZIPZSFGE-UXHICEINSA-N 437.422 5.057 30 10 IKEE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@@H](C#N)c1sc(Cl)cc1Br 2250689016 UBPMNGGKPOYWOC-JQWIXIFHSA-N 435.771 5.145 30 10 IKEE CCP1(=O)CCC(C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Br)CC1 2268274838 BKZKRYHBWLYQMW-UHFFFAOYSA-N 441.306 5.630 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](N)c1cc(Br)cc(C(C)(C)C)c1 2272997242 SINWFJHRCBKJAF-ZWKOTPCHSA-N 425.411 5.606 30 10 IKEE CC#CCC[C@@H](OCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2274741837 OMTXWBMCUBQAIL-RUZDIDTESA-N 444.527 5.790 30 10 IKEE CCc1ccccc1N=C1SC(=Cc2cccc(O)c2)C(=O)N1c1ccccc1CC 2296826769 PBRJFQKUOYRTIB-UHFFFAOYSA-N 428.557 6.326 30 10 IKEE Cc1ccccc1N=C1SC(=Cc2ccccc2[N+](=O)[O-])C(=O)N1c1ccccc1C 2296826830 XYNRMYPDJUIFHA-UHFFFAOYSA-N 429.501 6.020 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O 2296867891 DQKAQYMMVPTNJI-UHFFFAOYSA-N 428.440 5.095 30 10 IKEE Cc1ccccc1N=C1SC(=C2Sc3ccccc3N2C)C(=O)N1c1ccccc1 2297550026 CMBZBZZQESHYBG-UHFFFAOYSA-N 429.570 6.174 30 10 IKEE O=C1N(c2ccccc2)C(=NC23CC4CC(CC(C4)C2)C3)[C@H](N2CCCC2)C12CCCCC2 2297578435 WOMTWXKWWUQOJQ-SPHKWJJASA-N 445.651 5.815 30 10 IKEE COCc1ccc(CN(C(=O)OC(C)(C)C)[C@]2(C#N)CC[C@@H]2OCc2ccccc2)s1 2303027669 LRQCNLCABATYEO-URXFXBBRSA-N 442.581 5.273 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1N=Cc1c(C)n(CC)c2ccccc12 2318574551 NDKBNODBMSJAAE-UHFFFAOYSA-N 435.572 5.827 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(ccc(OCc4ccccc4C)c3C)C2=O)cc1 2321742592 GUPLLVNUTJSNIO-UHFFFAOYSA-N 427.544 6.345 30 10 IKEE CCCCCCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(OC)cc1)C3=O 2322188425 ZCOJZTMJPPSIGD-UHFFFAOYSA-N 435.564 6.132 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O3)CN(CCC(C)C)CO2 2322236335 MFVRKWBCMPYEGY-UHFFFAOYSA-N 432.347 6.116 30 10 IKEE C[C@H](N1COc2ccc3c(c2C1)OC(=Cc1ccco1)C3=O)C12CC3CC(CC(C3)C1)C2 2322261003 FETZUKNGTQDNEM-ZCZKMIILSA-N 431.532 5.653 30 10 IKEE CCCCC[C@@H](CC)N1COc2c(cc3c(c2C)OC(=Cc2ccc(Cl)cc2)C3=O)C1 2322356693 DOCRBPSDOYSZCP-OAQYLSRUSA-N 439.983 6.775 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCc3cccc(Cl)c3)ccc3ccccc23)cc1C 2322415042 OTQOGDTZJWUEHR-UHFFFAOYSA-N 442.942 7.285 30 10 IKEE O=C(COc1ccccc1C=CC(=O)c1ccc(Br)cc1)Nc1ccccc1 2322416704 VIRMDPYCGOLCOI-UHFFFAOYSA-N 436.305 5.363 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C)cc2)c1OCC(=O)Nc1cc(C)ccc1C 2322605069 FFJJTXYSUGCBAT-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE COc1cccc(C=CC(=O)c2cc(C)ccc2C)c1OCC(=O)Nc1cccc(C)c1C 2322624114 SDWSJITWWSCODD-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccccc1C=CC(=O)c1ccc(C(C)(C)C)cc1 2322681157 IHRBJLIILNBWSK-UHFFFAOYSA-N 441.571 6.515 30 10 IKEE COc1cc(C=NNc2ccc(C)cc2)ccc1OCc1ccc(Br)cc1 2322926852 TWUYXKYHGISVQA-UHFFFAOYSA-N 425.326 5.791 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccccc2OCC(=O)N[C@@H](C)c2ccccc2)c(C)c1 2322942039 USFMAUPAUYQMTM-QFIPXVFZSA-N 427.544 5.764 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Br)c2)cc1OCc1cccc(F)c1 2323097815 DXGJQSPKTLLPFZ-UHFFFAOYSA-N 441.296 6.072 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1OCC(=O)Nc1cc(C)ccc1C 2323126493 BOKWKLCANRXHCQ-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)cc1C 2323248209 OUPRBEXGGMBXBN-UHFFFAOYSA-N 429.428 5.355 30 10 IKEE Cc1c(OC(=O)c2ccc(Cl)c(Cl)c2)ccc2c1OC(=Cc1cccc(F)c1)C2=O 2323259444 HFDBVWJFKOQAGK-UHFFFAOYSA-N 443.257 6.276 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)ccc1OCc1cccc2ccccc12 2323503435 WADLHAJONAKRJA-UHFFFAOYSA-N 438.523 6.722 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(OC)c(OCc3ccccc3C)c(OC)c2)cc1 2323536703 BDTWKFYDSNYRQG-UHFFFAOYSA-N 444.571 6.830 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(OC)c1OCc1ccccc1F 2323763183 WHDGCHRQCYWKOS-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE CCOc1cc(C=NNc2nc(-c3ccc(OC)c(OC)c3)cs2)cc(Cl)c1O 2323858667 ZMNJLUPOQLVTNI-UHFFFAOYSA-N 433.917 5.031 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OCC(=O)Nc1ccc(F)cc1 2323872568 HGKIQQHCXVCSOZ-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE COc1cc(C=NNc2nc(C)c(C)s2)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 2323872942 PDCBHSJOKMWOHY-UHFFFAOYSA-N 426.498 5.010 30 10 IKEE C=C(C)COc1c(Br)cc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1OC 2324044824 ZMOLEBAJHZACAL-UHFFFAOYSA-N 445.309 5.080 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OCc1ccccc1F 2324077922 ZVAIYRIJTYWPHB-UHFFFAOYSA-N 440.854 5.692 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccc(C)cc4)c3C)C2=O)cc1 2324380657 BMYRBRGRZFZCLD-IBGZPJMESA-N 441.527 5.888 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)c(C)c1 2324545452 MHYQRILXFNTMEC-QFIPXVFZSA-N 427.544 5.764 30 10 IKEE COc1ccc(CC(=O)Oc2cc(C=CC(=O)c3ccc(Cl)cc3)ccc2OC)cc1 2325729048 SAOOBPLOVKWMAS-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)C=Cc1cc(OC)ccc1OC 2325729526 DOIYBZUFGLZWGI-QHCPKHFHSA-N 446.632 5.259 30 10 IKEE Cn1c(C(=O)Oc2cccc(C=CC(=O)c3cccc4ccccc34)c2)cc2ccccc21 2325750242 VGCPVBNJLXQATE-UHFFFAOYSA-N 431.491 6.447 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2cccc(OC(=O)CCOc3ccccc3)c2)c1C 2325756908 DXQMKFQQSOKXFZ-UHFFFAOYSA-N 428.528 6.191 30 10 IKEE C=CCSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1ccc(Cl)cc1 2326399326 QRQWUFSKOOFVKI-UHFFFAOYSA-N 441.000 5.720 30 10 IKEE Cc1cccc(CSc2nnc(CCc3cccs3)n2N=Cc2sccc2C)c1 2329641203 KCLYIQCRHZHQRP-UHFFFAOYSA-N 438.647 5.978 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc[nH]1 2330149353 DXUJACNYFXHEKT-HNNXBMFYSA-N 439.947 5.725 30 10 IKEE Fc1cccc(CSc2nnc(Cc3cccs3)n2N=Cc2c[nH]c3ccccc23)c1 2330359709 KCAXQQPXIBZRLA-UHFFFAOYSA-N 447.564 5.725 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccc(F)cc2F)c1 2330468409 XGOSQMCQKWJVSM-UHFFFAOYSA-N 434.515 5.630 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3cccs3)n2N=Cc2ccc(F)cc2F)c1 2330583833 YHGJJYDYQWDLGM-UHFFFAOYSA-N 440.544 6.076 30 10 IKEE Cn1cc(C=Nn2c(SCCc3ccccc3)nnc2-c2cccs2)c2ccccc21 2330586541 OPXCRFRYJDSABJ-UHFFFAOYSA-N 443.601 5.715 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1)c1ccc2cc(Cl)ccc2n1 2330911134 GBLQOMLUCXBLCQ-UHFFFAOYSA-N 448.305 6.657 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2Cl)cc(OC)c1OC(=O)c1cccs1 2330949233 IBCLLINJRAWZKU-UHFFFAOYSA-N 438.932 6.254 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc([C@H]2CCCO2)n1N=Cc1cccs1 2330975711 SRLAOHYXRRALCY-MRXNPFEDSA-N 439.393 5.672 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC(=O)c1ccco1 2331045455 UKEKAQVPAPRDJD-UHFFFAOYSA-N 433.416 5.040 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2ccccc2F)nnc1C1CCCC1 2331070812 MYRMAKAVQQPRQG-UHFFFAOYSA-N 438.572 6.038 30 10 IKEE Cc1cccc(CSc2nnc(C(F)(F)F)n2N=Cc2ccc(C(F)(F)F)cc2)c1 2331122561 CZGRDUAAVSFHTD-UHFFFAOYSA-N 444.404 5.799 30 10 IKEE O=C(Cc1ccccc1F)Oc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1Cl 2331122828 PUNICRVZFYOKJH-UHFFFAOYSA-N 429.274 6.177 30 10 IKEE COc1cc(C=Nn2c(SC)nnc2-c2ccco2)ccc1OCc1ccc(C)cc1 2331165344 AGVTYJJBLBBBSR-UHFFFAOYSA-N 434.521 5.038 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2-c2ccco2)cc1 2331175886 PJMCDCXSAVTQKG-UHFFFAOYSA-N 436.512 5.641 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cncc(C)c3)c(Br)c2)cc1 2331273510 KUXSBAPFQYVVEO-UHFFFAOYSA-N 436.305 5.576 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)c3ccccc3)c([N+](=O)[O-])c2)c1 2331322956 NNBVPNMKFGQXQF-IBGZPJMESA-N 429.472 5.817 30 10 IKEE CC(C)(C)c1nnc(SCc2ccccc2F)n1N=Cc1cccc(Br)c1 2331396637 YAQIANOVGYIIQY-UHFFFAOYSA-N 447.377 5.652 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OC(=O)c1ccc(C)c(C)c1 2331485502 AWKJDEKUDGUYDN-UHFFFAOYSA-N 436.507 6.581 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc(OC)c1OC(=O)C1CC1 2331551115 LWFNCIMLNALOJI-UHFFFAOYSA-N 448.559 5.941 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc(F)c2)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 2331562606 WULHGKIRQOJWBN-UHFFFAOYSA-N 427.334 5.127 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c(C)c1C 2331612348 KUUAFXSOMOWQJQ-UHFFFAOYSA-N 445.471 5.644 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1N=Cc1cccc2ccccc12 2331639478 FPGMHVIXCPGAPE-UHFFFAOYSA-N 443.576 5.305 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(C=CC(=O)c3cc(C)cc(C)c3OC)cc2)CC1 2331659470 IROLGZLJAOBFGK-UHFFFAOYSA-N 448.603 7.110 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2C(C)C)cc1 2331669777 RXIOXOFALVFCAW-UHFFFAOYSA-N 436.625 6.453 30 10 IKEE C=CCSc1nnc(C(C)C)n1N=Cc1ccc(OCCc2ccccc2)c(OC)c1 2331704868 QIEGLVDHKVHSEI-UHFFFAOYSA-N 436.581 5.192 30 10 IKEE CCc1ccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C(C)C)cc1 2331708705 MOPHSDJMSWOCAG-UHFFFAOYSA-N 433.408 6.445 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2OC)CC1 2331715138 HFZQBNUEHDNERR-UHFFFAOYSA-N 448.603 7.110 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1 2331780456 OSVBNBUODKJFAO-UHFFFAOYSA-N 442.555 6.345 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1OC 2331814916 WMCKVAHZDNRHHC-UHFFFAOYSA-N 437.319 6.002 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3c(OC)cccc3OC)cc2)cc1C 2331835585 XJXPPDQIZJPNLK-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE CC1(C)OB(C=Cc2ccc(NC[C@@]3(C)CCN(Cc4ccccc4)C3)nc2)OC1(C)C 2339586569 HUWPWZMADFFFLU-AREMUKBSSA-N 433.405 5.050 30 10 IKEE CC1(C)OB(C=Cc2ccc(Oc3cccc(OCc4ccccc4)c3)nc2)OC1(C)C 2339588297 GKOIHHXQPOCGRA-UHFFFAOYSA-N 429.325 6.098 30 10 IKEE CC[C@H](NCc1ccsc1Br)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363845942 GSCQZGRSLQZPQR-KRWDZBQOSA-N 436.224 5.051 30 10 IKEE Cc1cc(OCc2ccccc2)ccc1Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2365061280 RYICHOUINXMFIQ-UHFFFAOYSA-N 442.368 6.357 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H](Nc2ccc(Br)cc2C#N)[C@@H]1C(F)(F)F 2370063731 IUUFSTOMKVORCU-LSDHHAIUSA-N 448.283 5.063 30 10 IKEE C=CCn1c(SCc2ccc([N+](=O)[O-])cc2)nc2scc(-c3ccccc3)c2c1=O 9041640 YDWMBBQDQYUYRG-UHFFFAOYSA-N 435.530 5.512 30 10 IKEE COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(N(C)C)cc1 20886386 ZBFQKBQRSMLCJU-HMILPKGGSA-N 439.559 5.741 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(C)o1 40094287 DZZXTJCMJSPZKV-QFIPXVFZSA-N 425.525 5.310 30 10 IKEE C=CCc1ccccc1OCCn1c([C@H]2CC(=O)N(c3ccccc3)C2)nc2ccccc21 40251242 NUFHJUKWBIJZJM-QFIPXVFZSA-N 437.543 5.364 30 10 IKEE Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)C[C@@H](C)c1ccccc1 59240616 CMMDOHABDLONOY-OPAMFIHVSA-N 437.370 7.090 30 10 IKEE C=CCN(C(=O)CSc1nc2ccccc2o1)c1nc(-c2c[nH]c3ccccc23)cs1 66409972 YVZVHCBEMATGRA-UHFFFAOYSA-N 446.557 5.744 30 10 IKEE CCCCCCCOc1ccc(C(=O)Oc2ccc(Br)c3ccccc23)cc1 100380766 IVSHNAXCPBFBAV-UHFFFAOYSA-N 441.365 7.171 30 10 IKEE O=C1/C(=C/c2ccccc2[N+](=O)[O-])S/C(=N/c2ccncc2Cl)N1c1ccccc1 101127710 OOBKRBXJLDGDEK-FAXOLUSMSA-N 436.880 5.452 30 10 IKEE Cc1nc(N2C(=O)C(=O)/C(=C(\O)c3ccc(Cl)cc3)[C@H]2c2ccccc2F)sc1C 102514777 KHMLZOLRNZHSSP-LYHOESIGSA-N 442.899 5.179 30 10 IKEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 103126839 YYEFINMTJYEYEN-LAFOYAEKSA-N 443.286 5.225 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(O)c(Cl)c1 170042369 HBELEZVYKFUFAX-QHCPKHFHSA-N 439.939 5.276 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc2ccccc12)c1cc2ccccc2o1 170045472 KIOCHCGPMWQLEK-RUZDIDTESA-N 449.462 5.958 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)o1 170101071 HVRZPNOWPWYWDM-LJQANCHMSA-N 446.261 5.817 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@H]1c1cccc(C)c1 170147330 ZTPMADNWJXHQFW-OAQYLSRUSA-N 427.928 5.426 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccs2)c1 170156154 KIIHRPXAXKQXHT-QFIPXVFZSA-N 429.497 5.894 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2cccnc2)cc1C(C)C 170184100 HIWOMSJLEVFBKS-QHCPKHFHSA-N 446.478 5.136 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccnc2)cc1 170188202 JZCBKQZZIRYVIU-XMMPIXPASA-N 442.515 5.434 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC(C)C)c3)[C@H]2c2ccncc2)c1 170200658 QZOSKGWVXAUORQ-XMMPIXPASA-N 442.515 5.208 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@H]1c1ccc(OCC)cc1 170213873 XNOVBUZDYJTNON-HSZRJFAPSA-N 437.536 5.108 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2C2CCCC2)cc1 170214759 VZURPJSJEMHXCK-XMMPIXPASA-N 449.547 5.393 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(F)cc2)cc1 170239887 KKSSCTZVHMHHRS-QHCPKHFHSA-N 431.463 5.316 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1c1cccc(F)c1 170270801 SXZTUOMEVFRRIN-RUZDIDTESA-N 441.502 5.796 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccccc1C 170277498 HZDPFWISMGLHDK-VWLOTQADSA-N 449.591 6.107 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccc(C)o2)c1 170300271 BBVWKNJCSYIOFB-HSZRJFAPSA-N 431.488 5.468 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1sccc1C 170314836 QXTZGHLFNIOVSE-HXUWFJFHSA-N 433.529 5.465 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3cc(C)cc(C)c3OC)=C(O)C(=O)N2CCC)c1 170323540 OIIYFANEQJUHRY-JOCHJYFZSA-N 437.536 5.089 30 10 IKEE COc1ccc2c(c1)O/C(=C/c1ccccc1OC(=O)c1ccc(C(C)(C)C)cc1)C2=O 210087763 QWWSHUJVZRRSQP-BUVRLJJBSA-N 428.484 5.828 30 10 IKEE CCOc1ccc2ccccc2c1/C=C1\SC(=Nc2ccccc2)N(CCOC)C1=O 252592753 BGOFCPTWTLESKZ-CMEWOCMCSA-N 432.545 5.489 30 10 IKEE CCc1ccc(-c2nc3cc(N=Cc4c(O)ccc5cc([N+](=O)[O-])ccc45)ccc3o2)cc1 252625436 QJTWQQJSAYULSE-UHFFFAOYSA-N 437.455 6.575 30 10 IKEE CCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2CC)SC1=Nc1ccc(F)cc1 254876990 SVOJEHXKRCNGSE-NYAPYVNCSA-N 429.542 5.218 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)c1cccc(OCc2ccccc2)c1 405036800 WCCWEXKRNUGNMA-UHFFFAOYSA-N 443.352 5.126 30 10 IKEE CCN(C1=C(Sc2ccc(C)cc2)C(=O)N(c2cccc(C#N)c2)C1=O)c1ccccc1 526685277 BMUHYVXXELXMMA-UHFFFAOYSA-N 439.540 5.270 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1ccc(OC(C)C)c(OC)c1 526802071 AMJNXCMLENPCDR-QFEZKATASA-N 442.560 5.340 30 10 IKEE Cc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2cccc(Cl)c2)cc1 526812565 AHVWHYXZEAXTTO-QQXSKIMKSA-N 432.980 6.005 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1c(F)cccc1Cl 526816400 AUBWINHEIFERFV-MSXFZWOLSA-N 437.371 6.241 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1ccc(OC(C)(C)C)cc1 526825239 BBURCAJKNPRLDL-QQXSKIMKSA-N 440.588 6.112 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)Nc3ccc(C)cc3)C2)c1 585881346 WPDZOGPFBXEJBH-HSZRJFAPSA-N 434.584 5.259 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@@](C)(C#N)c1cc(Br)ccc1F 698868691 JYCZNQFKWQSRCV-FQEVSTJZSA-N 437.284 5.908 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CC[C@H](C)N(C(=O)OC(C)(C)C)C2)cc1 698891022 WSPUJDJTPPCVCC-UUOWRZLLSA-N 429.561 5.418 30 10 IKEE C#CCCCCC[C@@H](NCCC)c1ccc(I)c(Br)c1 721608233 FJCZTTDYNCAJFX-QGZVFWFLSA-N 448.186 5.678 30 10 IKEE C=C1CCC(CC(=O)[C@@H](Cc2ccc(Br)cc2)NC(=O)OC(C)(C)C)CC1 724573393 MELCAENWCGQSQY-LJQANCHMSA-N 436.390 5.591 30 10 IKEE Oc1c(Br)cc(Br)cc1C=NNc1ccc(Br)cc1 1084425107 KZTVMSYJRACJQH-UHFFFAOYSA-N 448.940 5.126 30 10 IKEE COc1ccccc1/C=N/N=C1/S/C(=C/c2ccccc2C)C(=O)N1Cc1ccco1 1615303983 YCRFEXKUVGRSPU-WTGMLGSZSA-N 431.517 5.103 30 10 IKEE COc1cccc(/C(C)=C2/SC(=Nc3ccncc3Cl)N(c3ccccc3)C2=O)c1 1772736592 LWENSRHDYAKCJA-DHPBROCDSA-N 435.936 5.942 30 10 IKEE COc1ccc(N=C2S/C(=C/C=C\c3ccco3)C(=O)N2c2ccc(OC)cc2)cc1 1772742880 DDPDOTMKVXESKA-FBBRKNHSSA-N 432.501 5.662 30 10 IKEE N#Cc1ccccc1NC(=O)c1nn(-c2ccccc2)c(-c2cccc([N+](=O)[O-])c2)c1Cl 1859414079 AGMXHGWTLZJMQG-UHFFFAOYSA-N 443.850 5.225 30 10 IKEE CCOC(=O)c1sc(NC(=O)C2(Oc3cc(C)cc(C)c3)CCCCC2)c(C#N)c1C 1859735959 FFZRVFFZKKUDBB-UHFFFAOYSA-N 440.565 5.442 30 10 IKEE Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)c3sc(C(C)C)nc3C)cc(C)c2c1 1859750602 JBHMEQLQEXMHAS-UHFFFAOYSA-N 444.564 5.358 30 10 IKEE N#Cc1cccc(C(=O)Oc2ccc(C3=CCN(C(=O)c4cccc(Cl)c4)CC3)cc2)c1 1860673622 UPOXVPPWXRQOSG-UHFFFAOYSA-N 442.902 5.360 30 10 IKEE CCOc1ccc(/C=C/C(=O)C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 1860723925 KEYQXDDTBSHRNY-VIZOYTHASA-N 442.540 5.891 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccccc2)c1)C(=O)NC(c1ccccc1)c1ccccc1 1860734845 SXNKIYYPMTYUBW-FMQUCBEESA-N 447.534 5.754 30 10 IKEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)c1ccccc1Br 1861019793 GGCIIXBPXRERKG-UHFFFAOYSA-N 425.411 5.214 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)[C@H](C)Oc1ccc(Cl)cc1 1861671134 SSXXQBTUGNCTLV-GHTZIAJQSA-N 425.013 5.259 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2Cl)cc1 1862391894 KTOAENYHFKWONY-HSZRJFAPSA-N 449.934 6.054 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@@H]2c2cccc3ccccc23)cc1 1862397826 TXNIEPMGGWWWQM-AREMUKBSSA-N 441.571 6.561 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@H]2c2cccc(C)c2)cc1 1862429024 DHPUDUCTKODDDU-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(O)cc1 1862443389 OYNLAGUKWDZPEC-QFIPXVFZSA-N 441.955 5.984 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)c1 1862488887 KIFKSMMSRYCIRU-QHCPKHFHSA-N 449.909 5.874 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(O)c(OC)c1 1862492667 WRXCBJBSZVZYSI-QHCPKHFHSA-N 437.536 5.176 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccc(Br)c1 1862496040 AFRFJMNEWHSEEL-QRWLVFNGSA-N 442.353 5.443 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2cccc(F)c2)ccc1F 1862502306 WLNXTELGRLFCQP-JOCHJYFZSA-N 437.417 5.191 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccccc2)cc1 1862515517 WUCAYQZJNKEIGM-CLOONOSVSA-N 441.527 5.815 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc(Br)c3)=C(O)C(=O)N2CCC(C)C)c1 1862524120 XONSTKRLHIOAHR-FQEVSTJZSA-N 442.353 5.382 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccc(CC)cc3)[C@H]2c2ccccc2)cc1 1862531829 CSDRIVGMRMQIKL-SIBVEZHUSA-N 439.555 6.151 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1cccc(C)c1 1862533009 JJYIAFGMBSHHEQ-VWLOTQADSA-N 433.592 6.496 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(C)cc1 1862533037 KAECTNACIAWVRV-ZCYQVOJMSA-N 433.592 6.495 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(Cl)cc1Cl 1862597940 NQNNEFHMZOWSIQ-IBGZPJMESA-N 434.319 5.468 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccccc1 1862616923 WAXRZGQYKNUTHV-VWLOTQADSA-N 447.619 6.923 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2[C@H](C)CC)c1 1862654250 KMVOFSXVWPCIFE-MZNJEOGPSA-N 429.516 5.615 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(C(C)C)cc2)c1 1862678551 ODZORRLMHTWNFY-VWLOTQADSA-N 443.518 6.036 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 1862689256 LXXMPUBKRPYRJS-HJPURHCSSA-N 447.918 5.688 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(F)cc1F 1862726097 YRVBDFQSTTZNOB-XMMPIXPASA-N 447.481 5.866 30 10 IKEE CCCOc1ccc(C2=C(Nc3ccccc3C)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862981348 PZAADCWRIDALTI-UHFFFAOYSA-N 437.499 5.052 30 10 IKEE CCCCCCCCNC1=C(c2ccc(Cl)c(Cl)c2)C(=O)N(CC(C)C)C1=O 1863631645 LHFRNLZOLPKAJX-UHFFFAOYSA-N 425.400 5.679 30 10 IKEE Cc1ccc([C@@H](CC(=O)N[C@@H](C(=O)Nc2ccccc2C#N)c2ccccc2)C(C)C)cc1 1866742538 DQFPTPQWQTUFQL-RPLLCQBOSA-N 439.559 5.493 30 10 IKEE CC[C@](C)(NC(=O)C[C@@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1ccc(C#N)cc1 1866783779 RTBMGVWKODEECG-IGKIAQTJSA-N 443.522 5.143 30 10 IKEE CCCCCCCCCCn1cc(OCCOc2ccc(C(C)(C)C)cc2)c(=O)cc1C 1870096191 PNGDBNPHBSPPPI-UHFFFAOYSA-N 441.656 7.053 30 10 IKEE C=CCOc1cn(Cc2ccccc2)c(CNc2cc(C(C)C)cc(C(C)C)c2)cc1=O 1870810806 SLIKJGFQOIIGBI-UHFFFAOYSA-N 430.592 6.320 30 10 IKEE C#CCOc1cn(CCCCCC)c(CNc2ccc(Br)c(C)c2)cc1=O 1871008576 CEKRUSFLAKQHCA-UHFFFAOYSA-N 431.374 5.124 30 10 IKEE CCCCCCCCCCNC(=O)c1cc2sccc2n1Cc1ccc(Cl)cc1 1871324026 YCNOLUGKFBWPLW-UHFFFAOYSA-N 431.045 7.275 30 10 IKEE CCCCC[C@@H](CC)N1COc2ccc3c(c2C1)O/C(=C\c1ccc2c(c1)OCO2)C3=O 1871347567 IFEYUPOPNJJDJH-WTZXFZKGSA-N 435.520 5.542 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(N(C)C)cc1)C3=O)CN(C1CCCCCC1)CO2 1871353057 BIOWMHKYYGPBOH-OYKKKHCWSA-N 432.564 5.552 30 10 IKEE CCc1ccc([C@@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2cccc(OC)c2)C4=O)cc1 1871354107 HHHCEFGLZOCIRG-WTTSBOSASA-N 441.527 5.787 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OC(=O)/C(Cl)=C/c3ccccc3)cc(C)c2C1=O 1871377339 GKOMXKQNIOBANA-KOLITKJCSA-N 436.916 6.166 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4cccc(OCC)c4)c3C)C2=O)cc1 1871387437 VNNPKXYHSNPLSN-IWIPYMOSSA-N 444.483 5.628 30 10 IKEE CCn1cc(/C=C2\Oc3c(CN4C[C@@H](C)C[C@@H](C)C4)c(O)cc(C)c3C2=O)c2ccccc21 1871396534 LGHZPKYLVKWFQA-RMHKOLRHSA-N 444.575 5.769 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OCCCOc4cccc(C)c4)c3C)C2=O)cc1 1871404898 GPNFGMNAMTZHPC-ITYLOYPMSA-N 428.528 6.330 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3cccc(Cl)c3C)ccc2C1=O 1871427045 KXTIXMCMWQHKNG-FMCGGJTJSA-N 433.891 5.591 30 10 IKEE C=CCN([C@@H](C(=O)Nc1cccc(Cl)c1C)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872436132 BHSODCJUKFFOAU-HTAPYJJXSA-N 449.016 5.187 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccccc1CC)[C@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872495501 QJXVUESNTRVGAD-DVECYGJZSA-N 442.625 5.096 30 10 IKEE C=CCNC(=O)c1ccc2nc(-c3ccc(OCCCCCCCCC)c(OC)c3)[nH]c2c1 1872731479 WNIJKXZJCYDYMO-UHFFFAOYSA-N 449.595 6.284 30 10 IKEE N#C[C@H](C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1nc(-c2ccc3ccccc3c2)cs1 1872760650 UOOIXUXFGMAUTL-QGZVFWFLSA-N 433.876 6.015 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccc(C)cc3)n2)cc1OC 1872761419 MXQUPNVPVYFQNI-IBGZPJMESA-N 436.533 5.171 30 10 IKEE COc1cccc(OC)c1C(=O)[C@H](C#N)c1nc(-c2cccc(Br)c2)cs1 1872763140 FXHHVCLMIZHSFO-AWEZNQCLSA-N 443.322 5.080 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1OC 1872777157 HMHYBSZHVBEKHP-LNENJAERSA-N 443.528 5.588 30 10 IKEE N#C[C@H](C(=O)c1ccc2cc[nH]c2c1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872779547 MBMOCHYUZWOZTF-JOCHJYFZSA-N 435.508 6.574 30 10 IKEE N#C[C@@H](C(=O)C(Cl)(Cl)Cl)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872779889 TZMCSGUZTKMVLU-HNNXBMFYSA-N 437.735 6.149 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)cc2Cl)=C(c2cccnc2)C1=O 1873268869 JLMBFNYOXLHUMR-UHFFFAOYSA-N 429.923 5.427 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2[C@H](C)CC)=C(c2cccs2)C1=O 1873405826 XWYJTLPFURFZQM-LJQANCHMSA-N 438.637 6.814 30 10 IKEE C=CCn1c(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc2c(N(CCCC)CCCC)ncnc21 1873561927 GDVPBUDBAWHYAZ-BGYRXZFFSA-N 425.621 5.142 30 10 IKEE CCCCCCCCNC(=O)c1cc2c(N(CC)CCCC)ncnc2n1CCCC 1873580804 KILKCOTWAHSTQH-UHFFFAOYSA-N 429.653 5.948 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)cc2C)cc2c(N3CCc4ccccc4C3)ncnc21 1873674049 CSJLKKMZJVFMOJ-UHFFFAOYSA-N 437.547 5.049 30 10 IKEE CCCCCCc1c(C)c2ccc(OCC(=O)Nc3cccc(C#N)c3)c(C)c2oc1=O 1873867200 RTKPIQZNJHWLML-UHFFFAOYSA-N 432.520 5.422 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCCC3 1873935697 WGIHZLKRGORLHX-LJQANCHMSA-N 427.585 5.696 30 10 IKEE CCCCCCCCCCNC(=O)CCCCCN1C(=O)c2ccccc2N[C@H]1C(C)C 1873936743 PRNWAPXXJBEVRW-AREMUKBSSA-N 443.676 6.354 30 10 IKEE CCCSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1ccc(Cl)cc1 1874223871 HLFZCYHJDUQOKQ-KOEQRZSOSA-N 443.016 5.890 30 10 IKEE CCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccccc1Cl 1874245200 YDDBIAIKRAOMHF-MFKUBSTISA-N 429.033 6.075 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3C)n2/N=C/c2ccncc2)c1 1874362696 RQNAHFSVMBFILS-OGLMXYFKSA-N 441.604 5.558 30 10 IKEE Cn1cccc1/C=N/n1c(SCc2ccc(F)cc2)nnc1-c1ccccc1Cl 1874364605 LUUMESUXIWAFRK-ZMOGYAJESA-N 425.920 5.251 30 10 IKEE Fc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2c[nH]c3ccccc23)cc1 1874379906 RTBDBKYHYYXTOG-LQKURTRISA-N 441.535 5.664 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2ccccc2F)nnc1[C@H](C)c1ccccc1 1874395852 XBSJTFODKPFQJH-AXNZHVIBSA-N 446.551 5.752 30 10 IKEE Cc1ccc(CSc2nnc(Cc3cccs3)n2/N=C/c2ccc(C(C)C)cc2)cc1 1874411028 RUXSPFGPQQHNRG-WGOQTCKBSA-N 446.645 6.537 30 10 IKEE COc1cccc(/C=N/n2c(SC)nnc2C2CCCC2)c1OCc1cccc(C)c1 1874454034 YSKWUWZWAKWRFJ-MFKUBSTISA-N 436.581 5.436 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(C2CCCC2)n1/N=C/c1ccncc1 1874456651 DXTRJJWTVCCPAV-WYMPLXKRSA-N 432.380 5.812 30 10 IKEE COCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccc(C)cc1 1874473335 ZFXNGGNZDSQTHR-FSJBWODESA-N 435.380 5.257 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccccc2C)n1/N=C/c1c[nH]c2ccccc12 1874477490 CDSSKVWZMTVITH-CVKSISIWSA-N 446.580 5.023 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874479462 BCWALZGQLRHIJN-LPYMAVHISA-N 429.933 5.357 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1cccc([N+](=O)[O-])c1 1874480585 DCGJPJSSXZDUHA-FSJBWODESA-N 447.923 5.496 30 10 IKEE Cc1ccccc1NC(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1ccccc1Cl 1874482741 KTIXCRSJRHPKCX-ZMOGYAJESA-N 441.988 5.150 30 10 IKEE COc1cccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C(C)(C)C)c1OC 1874485553 BOJIAMMFDBCSDH-ZMOGYAJESA-N 444.988 5.421 30 10 IKEE CCOc1c(/C=N/n2c(CC(C)C)nnc2SCc2ccc(F)cc2)cccc1OC 1874487541 ORVUISSGECWMRU-AFUMVMLFSA-N 442.560 5.198 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccccc2CC)n1/N=C/c1ccc(C(C)C)cc1 1874504424 QYPQTNXSBDWDCI-WGOQTCKBSA-N 449.624 5.529 30 10 IKEE CC(C)c1nnc(SCc2ccccc2F)n1/N=C/c1ccc(Br)cc1 1874513482 ADNMEAQDCBNUBZ-SSDVNMTOSA-N 433.350 5.478 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2)cc1 1874573920 LWRRZAYRDQGIHQ-JQIJEIRASA-N 447.962 6.596 30 10 IKEE O=C(/C=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 1874574532 RBYOPXKPCRHKGS-NTEUORMPSA-N 438.277 5.832 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCCc3ccccc3)ccc3ccccc23)cc1Cl 1874591182 XCEVQVVSSMYKDJ-BUHFOSPRSA-N 442.942 7.019 30 10 IKEE CCCN(CCC)C(=O)COc1ccccc1/C=C/C(=O)c1cc(Cl)ccc1Cl 1874591313 DWHITKLAOPSAGP-FMIVXFBMSA-N 434.363 5.917 30 10 IKEE CCN(CC)C(=O)COc1cccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)c1 1874598581 UEWGBQNYBRTXMN-QGOAFFKASA-N 429.516 5.622 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)cc1 1874606571 VOXSWKLAIMVFQZ-LDADJPATSA-N 441.571 6.560 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)N(CC)CC)c(Cl)c2)cc1 1874617274 SXZNXCBYIZGWHY-NTUHNPAUSA-N 429.944 5.272 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc([N+](=O)[O-])c1OCc1ccccc1F 1874617667 NZWIMHSITSHDJZ-ZRDIBKRKSA-N 449.478 6.225 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OC(=O)Cc1ccc(C)c(C)c1 1874699035 AHIPREIUEIHDBB-WUXMJOGZSA-N 434.919 6.010 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3cccc(/C=C/C(=O)c4ccc(C(C)C)cc4)c3)c(C)c2c1 1874709583 IQADHCQIDQXPIT-OQLLNIDSSA-N 437.539 7.023 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)CSc3ccccc3)c2)c(OC)c1 1874714792 NNDZEHKKMUNQRC-SDNWHVSQSA-N 434.513 5.298 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC(=O)COCc2ccccc2)c1 1874715940 TZALOPVHMRJIGN-JQIJEIRASA-N 442.555 6.311 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(OC)c3)cc2)cc1 1875099246 XWGAOGXIMSYIHW-LFIBNONCSA-N 444.527 5.701 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3ccncc3)c(OC)c2)cc1C 1875108032 UXGIOBHPFWEZGF-GQCTYLIASA-N 437.879 5.176 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)c1c(F)cccc1Cl 1875120253 KGVBKPBMCDESMG-ZRDIBKRKSA-N 440.854 5.612 30 10 IKEE CCOc1ccc(C(=O)Oc2c(Cl)cc(/C=C/C(=O)c3ccccc3)cc2OC)cc1 1875127443 FHAXJNARMMPNJW-NTEUORMPSA-N 436.891 5.863 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OCC)cc2)cc1[N+](=O)[O-] 1875130320 OGHYUIZDFHXBKP-OQLLNIDSSA-N 425.481 5.765 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc(Cl)c1OC(=O)CC(C)C 1875134214 NQKOKVXEFVJDGM-QPJJXVBHSA-N 441.738 6.503 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)c1c(F)cccc1Cl 1875136770 JUUNMFYKKVKXMH-UKTHLTGXSA-N 438.882 6.302 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)cc3)c(Cl)c2)c1 1875145122 AMBMJIIJEYPOEH-IZZDOVSWSA-N 436.891 5.781 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3F)c([N+](=O)[O-])c2)c1C 1875169314 PLCKIHAFSAFLPE-PKNBQFBNSA-N 447.462 6.083 30 10 IKEE C=C(COCCC)[C@H](N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875653421 XUSNBEGNUSNBBG-WUFINQPMSA-N 447.575 5.188 30 10 IKEE Cc1c(C(=O)O)cc(N=[N+]=[N-])cc1N(C)C(=O)OCC1c2ccccc2-c2ccccc21 1887520898 KWHGTJBQHMRXBU-UHFFFAOYSA-N 428.448 6.020 30 10 IKEE CC(C)(C)c1cc(CCC(=O)N2CCC(Oc3ncccc3C#N)CC2)cc(C(C)(C)C)c1 1891210557 IVQFSTNZAPRREY-UHFFFAOYSA-N 447.623 5.551 30 10 IKEE N#CC1(c2ccccc2)CCN(S(=O)(=O)c2cccc(-c3ccc(Cl)cc3)c2)CC1 1891675553 MGAPSSWRTUYDLX-UHFFFAOYSA-N 436.964 5.253 30 10 IKEE Cc1cc(Br)c([C@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)s1 1942133178 XFTUQIGYDYNIJW-AWEZNQCLSA-N 427.389 5.883 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@](C)(CC(F)F)NC(=O)OC(C)(C)C 1982479762 SRSFKDZDHOOOAE-OFNKIYASSA-N 426.548 5.066 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)[C@@H]1C1CC1 2014663791 FSCAPYMCVSGXHK-YADARESESA-N 427.545 5.110 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1nc(Cl)cs1 2020251953 DQXXJJGKTQQORE-GFCCVEGCSA-N 428.739 5.565 30 10 IKEE C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 2020309038 OKOAKFUMUFNQKA-GAJHUEQPSA-N 449.617 5.415 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@H](C#N)c1c(Cl)cccc1Br 2033938120 NTEJZPPLGRLCEU-INIZCTEOSA-N 427.770 6.237 30 10 IKEE COc1cc(C=Cc2cc(-c3ccc(C)cc3)n3c(nc4ccccc43)c2C#N)cc(OC)c1 2040461146 AUAJLWJCAAMORX-UHFFFAOYSA-N 445.522 6.522 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2046019298 NGVKMMMPOLTLRU-NOEFBULQSA-N 447.620 5.532 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1 2070601726 CZOCOUMHOQOGFH-DFBJGRDBSA-N 443.588 5.666 30 10 IKEE C#CC[C@H](C)C[C@@H](N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2076074053 SJBPZYRYYRFTNC-GOEWEAILSA-N 429.560 5.255 30 10 IKEE CC(C)Oc1ccc([C@@H](n2nc(C(C)(C)C)c(C#N)c2Br)C(C)(C)C)cc1 2080058451 YRWRRWPCCDPNPO-LJQANCHMSA-N 432.406 6.237 30 10 IKEE CCc1cc(Br)c([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)s1 2089741531 NQUQXGSZBMIDPW-QGZVFWFLSA-N 441.435 6.598 30 10 IKEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1cc(Cl)ccc1Br 2124449043 PICLWVPNMPEZLC-CQSZACIVSA-N 444.757 5.018 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)ccc(F)c1Br 2145542519 ARMYKUIGXLYYSF-MAUKXSAKSA-N 445.348 5.075 30 10 IKEE CCCCCCC[C@@H](NCC)[C@H](O)c1scc(Br)c1Br 2150562461 ASKVGSSQGJAFTJ-OCCSQVGLSA-N 427.246 5.645 30 10 IKEE CO[C@H]1CC(F)(F)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2162034938 NSVYKPXSWFXMAZ-YJBOKZPZSA-N 445.304 5.287 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1cnn(C(F)(F)F)c1 2175133491 GOGLTOMITMBWGI-CQSZACIVSA-N 445.239 5.128 30 10 IKEE Cc1sc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)CC(C)(C)C)c1C 2255662306 VIPFZIBUSKOPSJ-UHFFFAOYSA-N 441.446 5.353 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H](O)c1cc(Br)cc(C(C)C)c1 2280661017 PHYDTYVYDFQRTA-GOTSBHOMSA-N 432.402 5.357 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1cc(Br)cc(C(C)(C)C)c1 2288660139 FYSJAYBKXNDVON-OALUTQOASA-N 439.438 5.867 30 10 IKEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1 2296114001 IGKKIKNXSKMWIB-JOCHJYFZSA-N 446.572 5.818 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@H](C#N)c1cc(Cl)c(O)c(Cl)c1 2296280762 CXUKXPASDROURM-MRXNPFEDSA-N 427.715 6.359 30 10 IKEE O=C1C(=O)N(c2cccc(Br)c2)[C@@H](c2ccccc2)C1=C(O)c1ccccc1 2296767327 RTKMTWAHZZSDBE-FQEVSTJZSA-N 434.289 5.075 30 10 IKEE C[C@@H]1CC[C@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC(=O)C5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@H]2C 2297707616 BHUDKWOFZIXCDR-ZNICNNOQSA-N 426.597 5.101 30 10 IKEE C=CCN1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)SC1=Nc1nc(-c2ccccc2)cs1 2314543408 CPICSWYTDQTBTF-UHFFFAOYSA-N 448.529 5.508 30 10 IKEE Cc1ccc(COc2ccc(C=Nn3c(C)nnc3SCc3cccc(F)c3)cc2)cc1 2321121974 YYBMGLLWFFZSDA-UHFFFAOYSA-N 446.551 5.788 30 10 IKEE CN(C)c1ccc(C=C2Oc3c(ccc4c3CN(Cc3ccc(Cl)cc3)CO4)C2=O)cc1 2321955309 IVNVJTSCDSVWSN-UHFFFAOYSA-N 446.934 5.374 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCC(=O)OCC(C)C)cc1 2322356683 BBVQULQHQUFHMH-UHFFFAOYSA-N 430.928 5.385 30 10 IKEE COc1ccccc1C=C1Oc2c(cc3c(c2C)OCN(CCC2=CCCCC2)C3)C1=O 2322377358 SMTDJUQIGXLKTC-UHFFFAOYSA-N 431.532 5.662 30 10 IKEE CCN(CC)C(=O)COc1ccccc1C=CC(=O)c1ccc(Oc2ccccc2)cc1 2322807015 HIENITHXAUHKKE-UHFFFAOYSA-N 429.516 5.622 30 10 IKEE CCc1ccccc1NC(=O)COc1cccc(C=CC(=O)c2c(C)cc(C)cc2C)c1 2323302876 JHHHCKSOGKRXMB-UHFFFAOYSA-N 427.544 6.088 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OCC(=O)Nc2ccccc2F)c1 2323335898 NXYRYEJDTSAKSM-UHFFFAOYSA-N 439.870 5.401 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1ccc2ccccc2c1 2323399950 NBCXSHMLYKCYLN-UHFFFAOYSA-N 443.886 6.877 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1 2323419687 MKUNBIONGNQMGS-UHFFFAOYSA-N 439.555 6.096 30 10 IKEE C=C(C)COc1c(Br)cc(C=CC(=O)c2ccc(OC)c(C)c2)cc1OC 2323579469 DODCWJHQDWWOBL-UHFFFAOYSA-N 431.326 5.626 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2)c(Br)c1)c1ccc(Cl)cc1 2323790775 JGGRLEPGFJAOLH-UHFFFAOYSA-N 427.725 6.578 30 10 IKEE CCCOc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1 2323831313 URMCPRWILRCHQX-UHFFFAOYSA-N 440.495 6.175 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccccc1)C2=O)c1ccc(OCc2ccccc2)cc1 2323840030 CICYFYTTZTUCOF-UHFFFAOYSA-N 448.474 6.101 30 10 IKEE CCCOc1ccc(C=NNc2nc(-c3ccc(C)c(C)c3)cs2)cc1Br 2323844212 JPCOKYSWXNSYLQ-UHFFFAOYSA-N 444.398 6.424 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1)NCc1ccccc1 2323874103 JWMUXXJBQQHTLW-UHFFFAOYSA-N 440.326 5.585 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1 2323880088 QCIGEJVCCLPNFD-UHFFFAOYSA-N 448.858 5.491 30 10 IKEE C=C(C)COc1c(Br)cc(C=CC(=O)c2ccc(OCCC)cc2)cc1OC 2323933653 BXGQIDNMNPYSBP-UHFFFAOYSA-N 445.353 6.098 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2OC)cc(OC)c1OCc1ccccc1 2324010156 SYMHQAJHCIWNRB-UHFFFAOYSA-N 428.528 6.216 30 10 IKEE COc1cccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4Cl)ccc3C2=O)c1 2324388712 QKPWAADNXJIKRU-HNNXBMFYSA-N 449.890 5.371 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)ccc1OCc1cccc(C)c1 2324665923 YHMAHQFLSWBFIS-UHFFFAOYSA-N 441.354 7.176 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)cc(Br)c1OC 2324666023 NJNXVZZETXGHJC-UHFFFAOYSA-N 430.125 6.059 30 10 IKEE CCOc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)cc1 2324807291 DLFFULQRIGZMTK-SFHVURJKSA-N 438.936 5.760 30 10 IKEE C=C(C)CN(Cc1ccccc1)C1(C(=O)O)CC2(CCC(NC(=O)OC(C)(C)C)CC2)C1 2325486601 FNDAHDGTBPQXPC-UHFFFAOYSA-N 442.600 5.136 30 10 IKEE Fc1ccccc1C=Nn1c(Cc2ccccc2)nnc1SCc1ccccc1Cl 2325489858 ZACSBYBZSRQTHJ-UHFFFAOYSA-N 436.943 5.836 30 10 IKEE CCCCOc1ccc(C=Nn2c(CCC)nnc2SCc2cccc(Cl)c2)cc1 2325571469 BARLQKFDQCMZRK-UHFFFAOYSA-N 443.016 6.237 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(N(C)C)cc1 2325572151 MUGBSQOKBGWZRM-UHFFFAOYSA-N 431.968 5.264 30 10 IKEE Cn1c(C(=O)Oc2cccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)c2)cc2ccccc21 2325690399 AMHKPUTZALDKCK-UHFFFAOYSA-N 426.428 5.202 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3ccc(OC)cc3)c2)cc1 2325712675 NSOHXACMNKQRNG-UHFFFAOYSA-N 444.527 5.918 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)C(F)(F)F)c2)cc1OCCC 2325726799 GHTIGZSSAIHKMD-UHFFFAOYSA-N 436.426 5.628 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1ccco1)C2=O)Nc1ccc(Cl)c(Cl)c1 2325733456 UGKAPQZRMYYNPX-UHFFFAOYSA-N 430.243 5.220 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4cccc(Cl)c4Cl)ccc3C2=O)o1 2325734413 YXUXHXWGRWNMLE-UHFFFAOYSA-N 444.270 5.529 30 10 IKEE O=C(CSc1ccccc1)Oc1cccc(C=CC(=O)c2cc(Cl)ccc2Cl)c1 2325774554 IUOQAXOXMKHRDS-UHFFFAOYSA-N 443.351 6.587 30 10 IKEE COc1cc(C=Nn2c(C)nnc2SCc2ccc(Cl)cc2)ccc1OC(C)C 2326350392 UAVCYITUVDKEAB-UHFFFAOYSA-N 430.961 5.210 30 10 IKEE CSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1ccc(Cl)cc1Cl 2326358089 IYGSYIHYJSWULB-UHFFFAOYSA-N 449.407 5.817 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1ccc(O)c(Cl)c1 2326446229 HKDVHSDJSOBPBH-UHFFFAOYSA-N 428.989 5.771 30 10 IKEE CCCOc1ccc(C=Nn2c(C)nnc2SCc2c(F)cccc2Cl)cc1OC 2326567631 GPAIUVYGKPYLLT-UHFFFAOYSA-N 448.951 5.351 30 10 IKEE CCCOc1ccc(C=Nn2cnnc2SCc2cccc3ccccc23)cc1[N+](=O)[O-] 2326632690 WGPPCEJDYUQUAH-UHFFFAOYSA-N 447.520 5.303 30 10 IKEE Cc1cccc(OCCCc2nnc(SCc3ccccc3)n2N=Cc2ccco2)c1 2327003138 IRAOSGPCIWWSNA-UHFFFAOYSA-N 432.549 5.366 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccc(C)c(C)c3)n2N=Cc2ccncc2)cc1 2328768858 MDIIYHQXQHOMPO-UHFFFAOYSA-N 443.576 5.352 30 10 IKEE COc1ccc(C=Nn2c(CCc3ccccc3C)nnc2SCc2ccccc2)cc1 2329484502 SAWQTTXAYBFQAT-UHFFFAOYSA-N 442.588 5.555 30 10 IKEE Cc1ccsc1C=Nn1c(Cc2ccccc2F)nnc1SCc1ccc(F)cc1 2329712908 PMRCGDQZSYAENL-UHFFFAOYSA-N 440.544 5.692 30 10 IKEE N#Cc1cccc(C(=O)Nc2cc(NC(=O)C=Cc3ccc(Cl)cc3)ccc2Cl)c1 2329730891 ZPFJGVUHBSLWIG-UHFFFAOYSA-N 436.298 5.769 30 10 IKEE CCCOc1ccc(C=Nn2c(Cc3ccc(C)cc3)nnc2SCC)cc1OCC 2329967458 MVKCFLXVONESCP-UHFFFAOYSA-N 438.597 5.359 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(-c2ccccc2)n1N=Cc1ccccn1 2330678545 KOISIIHTAKNEFX-UHFFFAOYSA-N 440.359 5.821 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc4ccccc4n3C)c(Cl)c2)cc1 2330747699 MRIAMQIZUOYZMX-UHFFFAOYSA-N 443.930 6.509 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)ccc1OC(=O)c1ccccc1OC 2330765322 ZWMXEDUZCSQLQW-UHFFFAOYSA-N 430.500 5.772 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc(Cl)c2)cc1)c1ccc(Br)cc1 2330884229 IGHZKBZCBOSCTG-UHFFFAOYSA-N 441.708 6.218 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(OC)cc1 2331040616 PBTMZEIQYOEVBR-UHFFFAOYSA-N 447.443 5.117 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3Cl)c(Cl)c2)cc1 2331194998 GCFJZLXDBTZNFK-UHFFFAOYSA-N 441.310 6.507 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1OC(=O)CC(C)(C)C 2331279579 QWCYRWCHGNSOAS-UHFFFAOYSA-N 425.481 5.540 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)COc2ccc(Cl)cc2)cc1 2331351804 AOUJFJUYTJGERA-UHFFFAOYSA-N 436.891 5.538 30 10 IKEE COc1cccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C(C)(C)C)c1O 2331403045 VREBQIAOMPVVBO-UHFFFAOYSA-N 446.576 5.618 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(F)c2)ccc1OC(=O)c1ccc(C)cc1 2331461143 PAYOKMIWYGTDGW-UHFFFAOYSA-N 434.463 5.657 30 10 IKEE CC(C)Cc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1cccs1 2331461722 JYEPORYDZVQRLO-UHFFFAOYSA-N 425.410 6.019 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)CSc1ccccc1 2331510516 RKWIXDYAFDMLSM-UHFFFAOYSA-N 446.568 6.412 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)c1ccccc1Cl 2331519547 VDYLYRCXNXVCSA-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccs3)cc2)cc1 2331541748 MWZZNHJURLNMRI-UHFFFAOYSA-N 448.584 7.213 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1C 2331644731 QQAZWPDMKGWQPF-UHFFFAOYSA-N 440.583 7.333 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1OCC 2331665849 IRXWCPLWQCSTGZ-UHFFFAOYSA-N 430.928 5.966 30 10 IKEE CC(C)c1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1cccc2ccccc12 2331673728 ZCNFGNFHDCVYLC-UHFFFAOYSA-N 447.539 5.307 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2cccc(Cl)c2)cc1 2331875083 IQYOYGWPHVNUDH-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE Brc1ccc(I)cc1COCC#CC1CCCCC1 2341783760 VDIHMUIKKOFDQF-UHFFFAOYSA-N 433.127 5.154 30 10 IKEE CC(C)c1ccc(OCC(=O)Nc2sc3c(c2C#N)CCCC3)c(Br)c1 1984307 CVLCZSPJRJSQNJ-UHFFFAOYSA-N 433.371 5.402 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(Cl)cc2)cc1 5926935 RDMSMIMWKKPPDG-HSZRJFAPSA-N 447.918 5.830 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2 14465098 NRKWHOABCWOHKA-DPLHUUCSSA-N 440.996 5.529 30 10 IKEE Cc1cc(C)cc(N/C(=N\C(=O)c2cccc(C)c2)N2CCN(C3CCCCC3)CC2)c1 15729053 BMXLRJHAFIGISB-UHFFFAOYSA-N 432.612 5.170 30 10 IKEE C/C(=N\Nc1nc(SCCC(=O)Nc2ccccc2C)n[nH]1)c1ccc2ccccc2c1 21082257 VNWKBYLWQZMTLK-WPWMEQJKSA-N 444.564 5.223 30 10 IKEE CC(C)Oc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(F)c2)cc1 21234691 UGLLYKIQIGPPAM-MMTVBGGISA-N 442.534 6.592 30 10 IKEE COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(Cc4ccc(Cl)cc4)nc3c2)c1O 27496536 WUAQNZIWXGTJGU-WYMPLXKRSA-N 437.839 5.445 30 10 IKEE C=CCCC(O)(CCC=C)c1ccc(CN(Cc2ccccc2)Cc2ccc(C)cc2)o1 36157127 FSGOTEYAPVEDKM-UHFFFAOYSA-N 429.604 6.910 30 10 IKEE O=C1/C(=C/c2cccc([N+](=O)[O-])c2)Oc2cc(OCc3c(F)cccc3Cl)ccc21 39754202 LWTSTVQYSMKOOR-FBHDLOMBSA-N 425.799 5.583 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1ccc(OCCC)cc1 40095918 ZNINCBFQFQMZPT-OSPHWJPCSA-N 449.547 5.177 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCCC)c2)[C@H]1c1ccc(Cl)cc1 40101448 JUOCDZWBVMXQDV-OAQYLSRUSA-N 427.928 5.507 30 10 IKEE Cc1c(OC(=O)c2cccnc2)ccc2c1O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 41293255 XCLMFHCZVYULMO-XYGWBWBKSA-N 433.463 5.892 30 10 IKEE C=Cc1ccc(COc2ccc3c(c2C)O/C(=C\c2cccc(OC)c2OC)C3=O)cc1 41504472 QYHFRDNJBKRONR-IWIPYMOSSA-N 428.484 5.850 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN([C@H](C)c2ccccc2)C3)C1=O 41587411 BUDYXGFUQQRIEL-MGKUZBKYSA-N 441.527 5.923 30 10 IKEE C=CCn1c(CCc2ccccc2)nnc1SCCC(=O)Nc1cccc(Cl)c1 59263858 IGTYOZDUBDJDTP-UHFFFAOYSA-N 426.973 5.024 30 10 IKEE COc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4ccc(C(C)C)cc4)CC3)c2c1 64473589 YWZMOPFMPFKINM-UHFFFAOYSA-N 428.536 5.094 30 10 IKEE CCCCCCCN/C(CC)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 100171816 IUGPJQFYFLHJNY-VKAVYKQESA-N 438.519 5.785 30 10 IKEE CCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccc(Br)cc2)cc1 100982901 XJLLISDVTIVJIN-UHFFFAOYSA-N 445.401 6.781 30 10 IKEE biogenic CCN(C(=O)c1oc2c(c1C)/C(=N\Nc1ccccc1)CC(C)(C)C2)c1cccc(C)c1 101109103 ZKGGVYPZGZZRTG-IADYIPOJSA-N 429.564 6.352 30 10 IKEE CCCCCCCCCCCn1c(Cc2ccc(-c3ccccc3)cc2)nc2ccccc21 102161734 ZPGNVNXIZGZOBJ-UHFFFAOYSA-N 438.659 8.825 30 10 IKEE CCCCCCCN1C(=O)[C@@H](C)Oc2ccc(-c3nc(-c4ccccn4)sc3C)cc21 103751931 WERHDSPTUWDNJC-QGZVFWFLSA-N 435.593 6.265 30 10 IKEE CCN1C(=S)N[C@@H](c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C(C(C)=O)=C1C 169933355 XGXRZTPAWDSSEM-QFIPXVFZSA-N 444.984 5.042 30 10 IKEE CN(C)c1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccccc2)cc1 169953337 UQPDKVULIGKZRV-QFIPXVFZSA-N 432.907 5.189 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccs1 169984257 FHIVEJFKWKDGEO-IBGZPJMESA-N 444.339 6.146 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2cccs2)cc1 169984748 XEMVSWYOVBPVPA-HXUWFJFHSA-N 439.920 5.501 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2ccc(F)cc2)=C(N2CCC[C@@H](C)C2)C1=O 169985740 DPFYROOCDFXSKV-HXUWFJFHSA-N 428.592 5.778 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccc(F)cc2)ccc1F 170063966 SOSYZPUGUDSJHP-OAQYLSRUSA-N 441.380 5.334 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccccc2F)c1 170069148 MTRMYPPNQZCYRZ-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2ccc(C)cc2C)=C(N2CCC[C@@H](C)C2)C1=O 170094578 DYUBKRKNEKVQAP-JOCHJYFZSA-N 438.656 6.256 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccccn1)c1cc2cc(Cl)ccc2o1 170179437 YGODAWDKJIKHFW-NRFANRHFSA-N 436.895 5.392 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccccc1)c1ccc(Cl)cc1 170223109 JKKAPFUMKIGPEK-FQEVSTJZSA-N 425.818 5.401 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccccc1 170231354 PKFWUMKPGPLYCB-DEOSSOPVSA-N 447.575 5.904 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)cc(OC)c3o2)[C@@H]1c1ccccc1 170232486 BSJKXJFZPZGLTA-FQEVSTJZSA-N 439.895 5.473 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@@H]1c1ccco1 170286049 IYPPBFXUVNRRKM-XMMPIXPASA-N 443.543 6.285 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@H]2c2ccco2)c(C)c1 170288179 KFIRXUYUYYDRQD-NRFANRHFSA-N 437.879 5.341 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccco1 170288812 RZGHESKZOWPAMX-RCDICMHDSA-N 449.890 5.348 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2ccc(C(C)(C)C)cc2)c1 170345705 SORNMBLONMCLAM-HSZRJFAPSA-N 442.515 5.171 30 10 IKEE CCN(CC)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccccc2C)cc1 170396537 APMPZYNWWDUALD-HSZRJFAPSA-N 446.572 5.686 30 10 IKEE COc1cccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2cccc(OC(F)(F)F)c2)c1 170429431 QMICRUFWZXWTFE-FQEVSTJZSA-N 449.425 5.109 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N[C@@H]1CCOc2ccc(C)cc21 170493586 ITHIYFIGSMVNFM-AREMUKBSSA-N 429.689 8.196 30 10 IKEE CCOc1ccc(C=Nc2sc3c(c2C(=O)Nc2ccc(C)c(C)c2)CCCC3)cc1 254290067 HYNWTEASYYFSBE-UHFFFAOYSA-N 432.589 6.645 30 10 IKEE CC(C)Oc1cccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2C#N)c1 526606266 CTKODEUSRVTXIJ-DEOSSOPVSA-N 428.463 5.542 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(SCc3ccco3)C2=O)cc1Cl 526667840 JTCNBOGGYDCHRZ-UHFFFAOYSA-N 449.919 5.243 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(OC)c(Cl)c2)cc1 526744183 QPTXSJOGTANTHT-QHCPKHFHSA-N 447.918 5.694 30 10 IKEE CCCCOc1cccc(/C=N\n2c(CCCC)nnc2SCc2ccc(C)cc2)c1 526806025 WWFDIVYOEQHLAU-ITYLOYPMSA-N 436.625 6.283 30 10 IKEE CCOc1cc(/C=N\n2c(C)nnc2SCc2ccc(C)cc2C)cc(Cl)c1OC 526810600 BTIQLPDWPYVVFL-MSXFZWOLSA-N 444.988 5.439 30 10 IKEE CCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1cccc(OCC(C)C)c1 526811239 FYLSGLLKFJXRNT-CFRMEGHHSA-N 428.989 5.703 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1ccccc1OCCC 526819073 NXOBWZKMULVIRS-ONUIUJJFSA-N 436.625 6.201 30 10 IKEE CCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1ccc(OC(C)(C)C)cc1 526825464 VILLOHUTSAQUJE-MYYYXRDXSA-N 426.561 5.722 30 10 IKEE C=C1C[C@H]2CC(Nc3ccc(Br)c(I)c3)C[C@@H](C1)C2 697307711 YHMFWZQPBNSTAH-ONXXMXGDSA-N 432.143 5.601 30 10 IKEE CC[C@@](C#N)(Cc1ccccc1)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 698458429 OVPRYTVLQGKYCJ-QFIPXVFZSA-N 429.358 6.106 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccc(Br)c(Br)c1 698829536 SRLZGFVJPVYMQY-HNNXBMFYSA-N 446.183 5.669 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@]1(C#N)CCc2c(Br)cccc21 698891564 ZTRFQUCWDYISCG-NRFANRHFSA-N 431.305 5.695 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@H](C#N)c1ccc(Cl)c(Br)c1 698946601 QYRBHUQNAUMHOH-CQSZACIVSA-N 428.718 5.605 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Cl)c1Br)NC 719520983 RGGMOCINEWXUDF-JKSUJKDBSA-N 431.802 5.093 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@H](CNC(=O)OC(C)(C)C)C(C)C)c1 829354870 TUFOTLAJQSXLTF-UXHICEINSA-N 447.576 5.126 30 10 IKEE C=C[C@](C)(/C=C/[C@H](C)CC/C=C(\C)CC[C@H](C)C(=C)C)CC/C=C(\C)CC[C@H](C)C(=C)C 936069512 YIERDWVPDSIPLW-XXWYLMOFSA-N 438.784 10.809 30 10 IKEE in-vitro COc1ccccc1CNN=Cc1c(C)n(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 1084245839 ZHJKVSDSEOPWBM-UHFFFAOYSA-N 428.492 5.039 30 10 IKEE COC(=O)C(=NNc1ccc(Cl)cc1)Sc1nc2ccccc2n1-c1ccccc1 1084441591 MHWYZAKKYGQOST-UHFFFAOYSA-N 436.924 5.370 30 10 IKEE C#CCn1cc(C=Nc2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c2ccccc21 1084520649 HRAPAZKRELFGSL-UHFFFAOYSA-N 437.568 6.218 30 10 IKEE CC(=O)Oc1cc(OCCCCCc2ccccc2)cc2c1C1=CC(=O)CC[C@H]1[C@@H](C)N2 1615946016 ZXCKFUKLDOXABH-JPYJTQIMSA-N 433.548 5.580 30 10 IKEE COc1ccccc1/C=C1\SC(=Nc2cccnc2Cl)N(C2CCCCC2)C1=O 1772733098 KDQPMZCJQVLQET-ZQFCNSAKSA-N 427.957 5.680 30 10 IKEE Cc1ccc(COc2ccccc2/C=C2/SC(=Nc3nc(C)cs3)N(C)C2=O)cc1 1772734809 NYSMHACZFYHWAB-HHZJYHKJSA-N 435.574 5.573 30 10 IKEE C=CCN1C(=O)/C(=C(/C)c2ccc(Br)cc2)SC1=Nc1ccncc1Cl 1772736418 KWOANUDHWSAFDV-OLOAGALHSA-N 448.773 5.678 30 10 IKEE C=CCOc1ccc(/C=C2\SC(=Nc3nc(-c4ccccc4)cs3)N(C)C2=O)cc1 1772739180 PVSIIFPUAXJXCA-VASVRFFCSA-N 433.558 5.609 30 10 IKEE Cc1ccc(-n2cc(/C=N\NC(=S)Nc3ccccc3)c(-c3cccs3)n2)cc1C 1857808478 DRUDCHVBDHPLHI-OYKKKHCWSA-N 431.590 5.538 30 10 IKEE C=CCN(CC=C)c1cc(-c2cc3cnccc3c(NCc3ccc(Cl)cc3)n2)ccn1 1857837816 VCOBGTGKJWJVSM-UHFFFAOYSA-N 441.966 6.136 30 10 IKEE CCCCCCCCn1cc(OCCOc2ccc(C(C)C)cc2)c(=O)cc1C(=O)O 1857891109 MWPXONVXBWBAJJ-UHFFFAOYSA-N 429.557 5.488 30 10 IKEE C=CCN(CC=C)C(=O)Nc1ncccc1O[C@H](C)C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 1858828033 WCVUBMHIUJBIPT-GPQLQYNLSA-N 443.588 5.059 30 10 IKEE CC[C@H](C)N(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1F 1859920602 HUQJJJAKHMQUGC-JTQLQIEISA-N 425.319 6.448 30 10 IKEE N#Cc1cccc(COc2cccc(NC(=O)c3ccc(OCc4ccccc4)cc3)c2)c1 1860126634 ZBOFBQOSPMBEQF-UHFFFAOYSA-N 434.495 5.969 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)CCc1ccc(Cl)cc1 1861111852 KVIGPEHIZJZFJL-XMMPIXPASA-N 443.031 5.477 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CCCC2)cc1 1862418963 OLBUVTZTYDCZFH-QFIPXVFZSA-N 441.474 5.275 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCC2=CCCCC2)c1 1862428962 BTUCMTPCZNKIBZ-HSZRJFAPSA-N 435.951 6.117 30 10 IKEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc(F)c2)cc1 1862473330 AHCAQWGLZLEREA-OSPHWJPCSA-N 445.490 5.482 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2c(F)cccc2Cl)cc1 1862480551 JJVUULIDTQAHNH-OAQYLSRUSA-N 427.903 5.699 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1 1862533205 GZQSHTQBMGRZEB-VWLOTQADSA-N 449.591 5.766 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2C2CCCCC2)c1 1862537588 YZIMHBLFRDKDJT-RUZDIDTESA-N 447.575 5.949 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2ccccc2Cl)cc1 1862561249 RJRMTQGNTQAYEW-QFIPXVFZSA-N 432.907 5.009 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(F)cc1 1862616739 STJJLWJRLPEDSB-QHCPKHFHSA-N 437.555 6.282 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2cccc(F)c2)cc1 1862662008 FQZUTQZDGNHBBB-XMMPIXPASA-N 447.481 5.867 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862662183 UNOKBXQYQXOITQ-VWLOTQADSA-N 442.559 6.202 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(Cl)cc2)cc1 1862663263 QDUMVYXHHXUIRJ-IRLDBZIGSA-N 439.939 5.221 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 1862678877 WHNXIAPJSJIOCB-QHCPKHFHSA-N 444.506 5.297 30 10 IKEE Cc1ccc(C2=C(Nc3cc(Cl)ccc3C)C(=O)N(c3cccc(C#N)c3)C2=O)cc1C 1862879342 OPTOLUCEJYELHF-UHFFFAOYSA-N 441.918 5.534 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC2CCCC2)=C(c2ccccc2OC)C1=O 1863767074 YYHXYPIUYFTOKG-UHFFFAOYSA-N 426.601 5.448 30 10 IKEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2CCC)[C@H]1c1ccco1 1864460019 PMMZLEQGKCNURU-OAQYLSRUSA-N 442.604 5.010 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)CCC(=O)c2ccc(Cl)cc2)c1 1865954200 QULVHODOFNDYSF-UHFFFAOYSA-N 430.891 5.353 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1ccccc1Br 1866029991 SNKABYGLACFHHZ-UHFFFAOYSA-N 438.494 8.649 30 10 IKEE CCC[C@H](NC(=O)C[C@@H](c1ccc(Cl)cc1)C(C)C)C(=O)Nc1ccccc1C#N 1866760399 DUMDDXJYDFAXGN-IRLDBZIGSA-N 425.960 5.265 30 10 IKEE N#Cc1cccc(Nc2cc(N3CCO[C@H](c4ccccc4)C3)nc(-c3ccccc3)n2)c1 1868354404 AUMPFCNMMHUDIY-DEOSSOPVSA-N 433.515 5.337 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3ccccc3[C@H]2c2ccccc2OC)nc(CC)n1 1869126855 HBYWSLIEOOZVTI-NDEPHWFRSA-N 440.591 5.378 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3cc(OC)c(OC)cc32)nc(-c2ccccc2C)n1 1869159828 ZUFYLHBTUNPEMV-UHFFFAOYSA-N 442.563 5.342 30 10 IKEE CC(C)c1ccccc1OCCCC(=O)Nc1c(C#N)nnn1-c1ccccc1C(C)C 1870158183 PMBSSNDUMDVYFL-UHFFFAOYSA-N 431.540 5.183 30 10 IKEE CCCCCCCCCCn1cc(OCCc2ccccc2)c(=O)cc1CSCC 1870192817 TYBAPNHVVNSFOT-UHFFFAOYSA-N 429.670 6.864 30 10 IKEE CCCCCCCCn1cc(OCC(=O)NCc2ccccc2)c(=O)cc1CSCC 1870246708 WZBMKYUCXCSSHF-UHFFFAOYSA-N 444.641 5.157 30 10 IKEE CCCCCCCOc1cn(CCc2c[nH]c3ccccc23)c(CN2CCCCC2)cc1=O 1870411039 QOLMVMARISMJLD-UHFFFAOYSA-N 449.639 5.907 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCCC(C)C)c(=O)cc1CN(CC)CC 1870580134 HEDUAYOFWAQADO-UHFFFAOYSA-N 436.637 5.019 30 10 IKEE C=CCn1cc(OCCOC(C)C)c(=O)cc1CNc1ccc(-c2ccccc2C)cc1 1870986985 LKVIKSKQLNLQEE-UHFFFAOYSA-N 432.564 5.426 30 10 IKEE C=CCn1cc(OCCOc2ccccc2)c(=O)cc1CNc1ccc(C(C)(C)C)cc1 1871045999 JMNOEZJIDIIIQJ-UHFFFAOYSA-N 432.564 5.402 30 10 IKEE CCCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(Cl)cc1Cl)C3=O 1871346998 PUJBWYDLNJVSJA-JMIUGGIZSA-N 432.347 6.260 30 10 IKEE CCCCOCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccccc1OCC)C3=O 1871350529 JXGKLDSRMXRXHQ-JLPGSUDCSA-N 437.536 5.060 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc(C)cc4)ccc3C2=O)c1OC 1871367035 VEKMUBIENPDOLN-WFWALWOCSA-N 442.467 5.247 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(Cl)cc4[N+](=O)[O-])c3C)C2=O)cc1 1871373111 CSZIGPPXVDDTKM-NHDPSOOVSA-N 449.846 5.700 30 10 IKEE CCCCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O 1871400364 ZTASHCPMHNHTEJ-ODLFYWEKSA-N 445.309 5.096 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4cc(Cl)ccc4C)ccc3C2=O)cc1 1871413612 LHIGFULTRUYDQX-VJUVOTIISA-N 447.918 5.979 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 1872504251 JXZQBORRUGXKOM-XMMPIXPASA-N 442.625 5.232 30 10 IKEE COc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1OC 1872759990 DZCTZIJNHGQMKB-FTUXVVSKSA-N 444.556 5.596 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(CCC)cc3)n2)cc1 1872764944 BVLPEDNWFYVZKI-QHCPKHFHSA-N 432.589 6.360 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccc(Cl)cc3)n2)cc1C 1872765407 ODZDYDWTHYUKCB-KSSFIOAISA-N 426.925 5.424 30 10 IKEE N#C[C@H](C(=O)CCCOc1ccc2ccccc2c1)c1nc(-c2cccc(Cl)c2)cs1 1872767097 SNLGPOOODFZTFO-JOCHJYFZSA-N 446.959 6.652 30 10 IKEE COc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc1OC 1872776781 XHXQZAKJABBMLY-KKSMZRNKSA-N 432.545 5.840 30 10 IKEE CC(C)c1ccc(O[C@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc1 1872779078 AYXICKQHWIFNNK-KDOFPFPSSA-N 426.488 5.855 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@H](C#N)C(=O)c2c(OC)cccc2OC)n1 1872784379 SBTJXZHGUHIWIM-CQSZACIVSA-N 442.924 5.288 30 10 IKEE CCOc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2cc(C)c(OC)cc2C)cs1 1872787525 LFVNZUAEQULFNH-SFHVURJKSA-N 436.533 5.090 30 10 IKEE N#Cc1ccccc1NC(=O)c1ccc2nc(CCCOc3ccccc3Cl)[nH]c2c1 1872804868 OLGVCIRVMDVWHX-UHFFFAOYSA-N 430.895 5.352 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(-n3cccc3)cc2)C(=O)N(CCC)C1=O 1873037402 NPAFUDFNLZOBJA-UHFFFAOYSA-N 435.612 5.698 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2C(F)(F)F)=C(c2cccnc2)C1=O 1873268806 GHJCDBFZPDJYRZ-UHFFFAOYSA-N 445.485 5.653 30 10 IKEE Cc1cc(C)c(C2=C(Nc3cccc(C#N)c3)C(=O)N(Cc3ccc(F)cc3)C2=O)c(C)c1 1873327705 ZAXNXZJZERSHER-UHFFFAOYSA-N 439.490 5.015 30 10 IKEE O=C(N[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1873465826 VHSTWEFOCRQRAD-CABCVRRESA-N 441.293 6.029 30 10 IKEE C=CCN(CC=C)c1nc(Nc2ccc3c(c2)c2ccccc2n3CC)c2cnn(C)c2n1 1873490793 RRVMCOGWXKIJNF-UHFFFAOYSA-N 437.551 5.413 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(OCCCCCC)cc1)n2CCC 1873612690 ITXQZSVCXHFBCB-UHFFFAOYSA-N 435.572 5.651 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(Cl)c2)cc2c(NCc3ccccc3F)ncnc21 1873637384 WZZDNGGPWIIQRS-UHFFFAOYSA-N 435.890 5.274 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C(C)(C)C)c2)cc2c(N(CC)CCCC)ncnc21 1873654671 PKNKBJCVAWBMDJ-UHFFFAOYSA-N 433.600 5.794 30 10 IKEE CCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccc(N(C)C)cc1 1874244563 JQUIPIVLGZEYBH-YZSQISJMSA-N 437.657 5.487 30 10 IKEE C=CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1cccc2ccccc12 1874244999 SYLVPYXIBXGXGX-MTDXEUNCSA-N 442.632 6.351 30 10 IKEE CCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(C(C)(C)C)cc1 1874270501 FEOXHQYMVMXKJX-OVVQPSECSA-N 428.605 6.314 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2ccc(O)cc2)cc1 1874303437 YRAPWVYAQAFUSC-YZSQISJMSA-N 444.560 5.148 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1ccccc1O 1874379223 HSHDLPHAOFTHES-CVKSISIWSA-N 432.524 5.197 30 10 IKEE Cc1ccccc1/C=N/n1c(COc2ccccc2)nnc1SCc1ccccc1Cl 1874384503 SKUOCJNOIFKAFV-CVKSISIWSA-N 448.979 5.993 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2/N=C/c2ccccc2)cc1 1874387893 KIRFPJFBXUMHOP-PCLIKHOPSA-N 443.532 5.260 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(Cc3ccc(C)cc3)nnc2SCCC)cc1 1874390528 RIHPPPLINKLUQV-LGUFXXKBSA-N 436.625 6.131 30 10 IKEE COc1ccccc1/C=N/n1c(SCCc2ccccc2)nnc1[C@@H](C)c1ccccc1 1874400341 OGXCRLROXIBTEC-RUTRRBQKSA-N 442.588 5.656 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3cccs3)n2/N=C/c2ccc(O)cc2)c1 1874413483 WMNMMWKVKSJIAX-ZVHZXABRSA-N 434.590 5.427 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2ccccc2C)o1 1874427934 IXHXVLIJRACURR-MFKUBSTISA-N 446.532 5.198 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2c[nH]c3ccccc23)cc1 1874429481 LNGTVQYFZXHLRX-JFLMPSFJSA-N 443.963 6.254 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2cccc(Cl)c2)cc1 1874482980 XWXWRVJGBGCULP-ZMOGYAJESA-N 441.988 5.150 30 10 IKEE CCc1ccc(/C=N/n2c(CC(C)C)nnc2SCC(=O)Nc2cc(C)ccc2C)cc1 1874486208 HBBSXHMWOKCRED-CVKSISIWSA-N 449.624 5.269 30 10 IKEE Cc1ccccc1NC(=O)CSc1nnc(C2CCC2)n1/N=C/c1ccccc1Cl 1874494480 OIPWRYFILOGMHW-ZMOGYAJESA-N 439.972 5.120 30 10 IKEE Cc1ccsc1/C=N/n1c(S)nnc1CCCOc1ccc(Cl)cc1Cl 1874570741 GUZLQCUOZDPLCU-KEBDBYFISA-N 427.382 5.137 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1OCc1cccc(Cl)c1 1874579272 FXFHULMQJXMHFT-PKNBQFBNSA-N 447.745 7.131 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2cccc(C)c2)c(OCC)c1 1874589580 SQQJOOFNUFKQPJ-DTQAZKPQSA-N 446.543 6.276 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(Cl)c1OCc1ccccc1C 1874605030 DKIDCKXFSZCYSB-OUKQBFOZSA-N 436.935 6.531 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OCC(=O)N[C@@H](C)c1ccccc1 1874613399 RUBPNHMNVAWPNR-YLZCUGDYSA-N 449.934 5.501 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)cc1Cl 1874636019 FTZQGAFIXGFNRF-XYOKQWHBSA-N 449.934 5.879 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)cc1 1874636192 OIZNNNLWCNBVHQ-GXDHUFHOSA-N 449.934 5.825 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)c2)cc1C 1874714236 LGKZHNGAYZWZNV-KVKMCETFSA-N 430.931 6.562 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1 1875098850 LRNCRSBDDWKJNQ-RVDMUPIBSA-N 446.499 5.147 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(OC)c(OC)c3)cc2)cc1 1875103869 UGBOVRDYFPPUBB-OQLLNIDSSA-N 430.500 5.310 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)c3ccccc3)c([N+](=O)[O-])c2)cc1C 1875108195 CLYUBFOTQVLNST-ZPHJMFTNSA-N 445.471 5.517 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)C(F)(F)F 1875112313 ZPKXQTVCCNFQRM-BQYQJAHWSA-N 433.209 5.756 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 1875118472 YACXKDDSKRGACV-JDZKTDJGSA-N 436.891 5.618 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2-c2ccccc2)c(Cl)c1)c1ccccc1 1875128065 LPCDGHQVVOKDTE-BMRADRMJSA-N 438.910 7.122 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)c3c(F)cccc3Cl)cc2)c1 1875145161 CPEDWIJNLWVCLF-XYOKQWHBSA-N 440.854 5.612 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC(=O)C1CCCC1 1875150338 IIBJRZVZLPFXAB-SFQUDFHCSA-N 446.587 6.713 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OC(=O)c1cnc(C)cn1 1875154695 RRDLRCALCDCCLK-ACCUITESSA-N 438.483 5.452 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(C)cc3C)cc2)c(OC)c1 1875179093 SDTTXDLPRHBGTD-MDWZMJQESA-N 446.499 5.201 30 10 IKEE C=CCn1c(C(=O)N(CCC)CCC)cc2c(NCc3ccccc3Cl)ncnc21 1875228155 CCBOQLBVFIPJGE-UHFFFAOYSA-N 425.964 5.145 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CC[C@H]1CCCCN1C(=O)OC(C)(C)C)NCCC 1922066351 SVSONBVPGWOLAT-DNQXCXABSA-N 430.633 5.697 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1cccc(F)c1NC(=O)OC(C)(C)C 1922079703 IDJNNCBPRYLTGD-JOCHJYFZSA-N 428.548 5.986 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCC(C)(C)C[C@@H]1CNC(=O)OC(C)(C)C 1927164487 GWDKOKFPJVJHFV-HOYKHHGWSA-N 437.625 5.493 30 10 IKEE CC(C)(C)OC(=O)NCC1CCC(C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)CC1 1928906885 KYQKIEVIDCZKGP-UHFFFAOYSA-N 443.588 5.401 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](CSCCC)NC(=O)OC(C)(C)C 1975728421 KLSXNPDBVUHOKZ-FCHUYYIVSA-N 436.662 5.164 30 10 IKEE C=CC1(C[C@@H](NCCC)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)CCC1 2002629154 ZXSWQVBYHRHUOL-DHIUTWEWSA-N 429.649 5.126 30 10 IKEE CCCCCCCC[C@@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)NCCC 2035440760 BBBWAAXVXMIKKH-VWLOTQADSA-N 447.708 6.132 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)C1(NC(=O)OC(C)(C)C)CC(C2CCC2)C1 2047999852 NJEKNNDFZWWWDB-BPLQSXGDSA-N 442.644 5.601 30 10 IKEE O=C(C=Cc1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 2053611536 MWWMRRUDDGMJNC-UHFFFAOYSA-N 431.395 5.451 30 10 IKEE C[C@H](c1ccc(C(F)(F)F)cc1F)n1nc(C2CCC2)c(C=NO)c1Br 2079929651 YALLOHVIESDLSJ-SECBINFHSA-N 434.231 5.488 30 10 IKEE Cc1ccc([C@@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C2(C)CC2)c(F)c1F 2079932463 LVKIGRNWSYRCBK-QGZVFWFLSA-N 438.316 5.481 30 10 IKEE COc1ccc([C@@H](n2nc(C3CCC3)c(C=NO)c2Br)C2(C)CC2)cc1F 2080107569 PNGBOSBJLDFOLM-GOSISDBHSA-N 436.325 5.258 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)Nc2cc(C(F)(F)F)ccc2Br)C1 2197750906 AJRQHIJQWMGNFJ-UHFFFAOYSA-N 449.267 5.020 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)cc1CC 2229256017 SAGNQQIHKFGBBJ-OALUTQOASA-N 425.411 5.522 30 10 IKEE CC(C)(C)OC(=O)N[C@@](C)(C1CCCCC1)[C@@H](O)C#Cc1ccccc1Br 2235722446 ADBUJVATKLABCH-UGKGYDQZSA-N 436.390 5.025 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)[C@@H](CCC)N(C)C(=O)OC(C)(C)C 2235723023 DGQYUFFIRSEYQT-VQTJNVASSA-N 437.422 5.204 30 10 IKEE C[C@H](NC(=O)OC(C)(C)C)c1ccc([C@H](O)C#Cc2ccccc2Br)cc1 2235742277 XIUIYIHKTRNLEW-MGPUTAFESA-N 430.342 5.120 30 10 IKEE CCCCCCC[C@@H](NC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237409344 GNNNXOFPOKAPBD-WOJBJXKFSA-N 441.454 5.833 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@]1(C#N)[C@H]2CCC[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 2249384140 KCCUHTWIPSQAKX-KSNQQSQUSA-N 435.609 5.245 30 10 IKEE C[C@@H](N(Cc1ccccc1)C(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2267409548 WADJRWFVMWDVFJ-GOSISDBHSA-N 439.380 5.202 30 10 IKEE Cc1cc(F)c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)c(F)c1 2283526964 FFYWVWQFSHYSOP-QGZVFWFLSA-N 437.284 6.042 30 10 IKEE C#CCN(C[C@@H](NCC)c1cc(Br)cc(C(C)(C)C)c1)C(=O)OC(C)(C)C 2288656896 KXWZIUSNXKXEEH-LJQANCHMSA-N 437.422 5.268 30 10 IKEE CCCCN1C(=O)C(=C2Sc3ccc(Cl)cc3N2C)SC1=Nc1ccc(C)cc1 2295190061 NJJUIYSQGVOAJM-UHFFFAOYSA-N 444.025 6.423 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)C[C@H](C)N(CC)C(=O)OC(C)(C)C 2296311378 WOWORDHGRDSLLT-FXAWDEMLSA-N 437.422 5.204 30 10 IKEE CCCCCCCCOc1ccc(C=C2SC(=Nc3ccc(C)c(C)c3)NC2=O)cc1 2296881953 FGXPVGUXUBIJTC-UHFFFAOYSA-N 436.621 6.934 30 10 IKEE CCCCCCCCOc1ccc(C=C2N=C(c3ccc(OCCCC)cc3)OC2=O)cc1 2297182779 VRQNXTFIYLKSON-UHFFFAOYSA-N 449.591 6.949 30 10 IKEE C=CCOc1ccc(C=C2N=C(SCc3ccc(Cl)cc3)SC2=O)cc1OC 2297620051 FLHPFACYVWRMEQ-UHFFFAOYSA-N 431.966 5.817 30 10 IKEE CCn1cc(C=C2Oc3cc(OCc4cccc(Cl)c4)cc(C)c3C2=O)c2ccccc21 2321762471 VXXGCXPOGTYKFV-UHFFFAOYSA-N 443.930 6.818 30 10 IKEE O=C(COc1ccc2ccccc2c1C=CC(=O)c1ccccc1)Nc1ccccc1F 2322545574 FDTYFNLAEJBBDU-UHFFFAOYSA-N 425.459 5.893 30 10 IKEE CCCNC(=O)COc1c(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)cc1OC 2322687363 AYNBHNRFESYCAZ-UHFFFAOYSA-N 443.971 5.447 30 10 IKEE C=CCOc1ccc(Br)cc1C=CC(=O)c1cc(C(C)(C)C)ccc1OC 2322768971 BLGAGNYQKXQEEC-UHFFFAOYSA-N 429.354 6.216 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccc(F)cc2)c(C)c1C 2322815537 JKBILWDGPYOGHN-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE CCCOc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1 2323460312 VKWUCKAJAXIQOK-UHFFFAOYSA-N 444.458 5.850 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1 2323538927 UXBPUXNHBUZBGZ-UHFFFAOYSA-N 447.962 6.596 30 10 IKEE CC(C)COc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(F)c2)C3=O)c1 2323579815 CURDYAHTVKVPBA-UHFFFAOYSA-N 432.447 5.696 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OCC(=O)N[C@H](C)c1ccccc1 2323873111 SKARQKPJISASAA-OAQYLSRUSA-N 443.543 5.464 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccs2)C3=O)c1 2323895817 VZBMKYJPDLWMDH-UHFFFAOYSA-N 434.469 5.207 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3C)c(Cl)c2)c1 2323943794 LIJZZZADBJIDGK-UHFFFAOYSA-N 433.935 6.179 30 10 IKEE CCOc1ccc(C=C2Oc3c(CN(C)Cc4ccccc4)c(O)cc(C)c3C2=O)cc1 2324077632 TVHFFTAIWGPBJF-UHFFFAOYSA-N 429.516 5.348 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)c(C)c1C 2324295019 LYSCFTXQJCQETK-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OCc1ccc([N+](=O)[O-])cc1 2324319859 OSWMZHPZYQCLLD-UHFFFAOYSA-N 447.487 5.704 30 10 IKEE Cc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1sccc1C)C2=O 2324412974 RSXGAIHVIKRNEG-QGZVFWFLSA-N 433.529 5.696 30 10 IKEE Cc1cccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2F)C3=O)c1C 2324498919 DODBRTRDCOLPKJ-GOSISDBHSA-N 445.490 5.773 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OCc2ccccc2)c(Cl)c1 2324510513 PYTLBGLGOHFVCY-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE COc1ccc(C)cc1-c1csc([C@@H](C#N)C(=O)C=Cc2ccc(Cl)c(Cl)c2)n1 2324572466 MMWGUIVDUXCJEP-INIZCTEOSA-N 443.355 6.324 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OCc2ccc(C)cc2)c(Cl)c1 2324697076 QBXNNKFZOLFKRO-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE N#Cc1ccc(COc2ccc3c(c2)OC(=Cc2cc(Cl)cc4c2OCOC4)C3=O)cc1 2324756716 MYSWLYGPXSWJMD-UHFFFAOYSA-N 445.858 5.273 30 10 IKEE Cc1cc(OCCOc2ccccc2F)cc2c1C(=O)C(=Cc1ccc(N(C)C)cc1)O2 2324857854 JRMBSDYFAJYOIC-UHFFFAOYSA-N 433.479 5.274 30 10 IKEE Cc1cccc(CSc2nnc(C)n2N=Cc2ccc(OC(=O)c3ccccc3)cc2)c1 2325616524 LMWNXEAPFQFBER-UHFFFAOYSA-N 442.544 5.289 30 10 IKEE CCOc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2C)C3=O)cc1 2325705659 IANIWCYMZLDRBD-UHFFFAOYSA-N 443.499 5.336 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4cccc5ccccc45)c3C)C2=O)cc1 2325707369 BQDUKWBJCVZUFP-UHFFFAOYSA-N 449.506 6.090 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cccc(OC(=O)[C@@H](C)Oc3ccc(Cl)cc3)c2)c1 2325740441 HLFZJKPSVWHCMU-LJQANCHMSA-N 434.919 6.226 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3c(C)cccc3C)c2)c(C)c1C 2325755779 XEANHWFJHZTVOH-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE CCCCCCCCC(=O)Oc1cccc(C=CC(=O)c2cc(Cl)cc(C)c2OC)c1 2325764100 PRTBKUAZRLVXCO-UHFFFAOYSA-N 442.983 7.209 30 10 IKEE CCOc1cc(C=Nn2c(C)nnc2SCc2cc(C)cc(C)c2)cc(Cl)c1OC 2326399074 IWRPVSFIBXCEGN-UHFFFAOYSA-N 444.988 5.439 30 10 IKEE COc1c(Cl)cc(C=Nn2cnnc2SCc2c(F)cccc2Cl)cc1Cl 2326567511 JVGAUPAGKZAPNV-UHFFFAOYSA-N 445.734 5.561 30 10 IKEE Cc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2cccc3ccccc23)o1 2326655839 JSTMBMRQAUCNLL-UHFFFAOYSA-N 438.556 6.098 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccccc3Cl)n2N=Cc2ccco2)c1 2327622718 CTKWSKYWWDNQIJ-UHFFFAOYSA-N 438.940 5.586 30 10 IKEE CCCOc1ccc(C=Nn2c(COc3ccccc3Cl)nnc2SCCC)cc1 2327674484 XSKKXSXCJHDBTO-UHFFFAOYSA-N 444.988 5.684 30 10 IKEE CCCSc1nnc(COc2c(C)cccc2C)n1N=Cc1ccccc1OC(C)C 2328559471 MWEONQZXTXTTQS-UHFFFAOYSA-N 438.597 5.645 30 10 IKEE Fc1cccc(CSc2nnc(CCCOc3ccccc3)n2N=Cc2ccco2)c1 2328725207 ZTFMBEKJRGFLFM-UHFFFAOYSA-N 436.512 5.196 30 10 IKEE Cc1cccc(C=Nn2c(CCc3cccs3)nnc2SCCc2ccccc2)c1 2329669093 DRRINYQFEMNOTI-UHFFFAOYSA-N 432.618 5.650 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2N=Cc2cccnc2)cc1 2330032873 YZNAGGWUROJNMG-UHFFFAOYSA-N 433.968 5.400 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2Cl)n1N=Cc1cccs1 2330110256 CKUUDCDPMHROCY-INIZCTEOSA-N 439.009 6.319 30 10 IKEE C=CCSc1nnc(CC2CCCCC2)n1N=Cc1ccc(OCC)c(OCC)c1 2330276453 KOSDQWRADUIBJU-UHFFFAOYSA-N 428.602 5.359 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc4ccccc4n3C)c(OC)c2)cc1 2330772742 LCEKMJNJIMSGAM-UHFFFAOYSA-N 439.511 5.865 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1Cl)c1cnccn1 2330808086 MZGFABJMKQZBNX-UHFFFAOYSA-N 433.678 5.552 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)ccc1OC(=O)c1cccc(OC)c1 2330940794 YCWIFJDYVFCRRW-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE CCCSc1nnc(C2CCCC2)n1N=Cc1ccc(N(CC)Cc2ccccc2)cc1 2331081668 ANLKHZCOXLYMRZ-UHFFFAOYSA-N 447.652 6.347 30 10 IKEE C=CCSc1nnc(C(F)(F)F)n1N=Cc1ccc(OCCCCCC)c(OC)c1 2331142960 ZTLDCPUVHDLEQW-UHFFFAOYSA-N 442.507 5.425 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2[N+](=O)[O-])c(Cl)c1)c1ccc(Cl)cc1 2331143875 ACNAVNBVNSPLPI-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3C)c(OC)c2)cc1 2331212536 LORUQJWVWWJXKI-UHFFFAOYSA-N 444.527 5.837 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2-c2ccco2)cc1O 2331222475 FZJNHPPGDGWNOM-UHFFFAOYSA-N 440.912 5.080 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(F)cc2)n1N=Cc1c(Cl)cccc1Cl 2331376378 YMBSVQLHFZUUIV-UHFFFAOYSA-N 437.371 6.196 30 10 IKEE C[C@H](C(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1Cl)c1ccccc1 2331398869 UMZVWYWENVZYSX-KRWDZBQOSA-N 448.902 5.716 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCO4)cc2Cl)cc1 2331439705 DQFCPACXWCCQTF-UHFFFAOYSA-N 434.875 5.746 30 10 IKEE COc1cccc(C(=O)Oc2c(OC)cc(C=CC(=O)c3ccc(C)c(C)c3)cc2OC)c1 2331705184 LYSJQHDFDYBEDC-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE COc1cc(C=Nn2c(SCc3ccccc3C)nnc2C2CC2)cc(Cl)c1O 2331726068 ANUKNMWBLVNACO-UHFFFAOYSA-N 428.945 5.006 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(SCc2cccc(C)c2)nnc1C1CC1 2331733818 QIMGVJFNIDQTSQ-UHFFFAOYSA-N 428.561 5.800 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3cc(Cl)ccc3Cl)cc2)cc1 2331859107 OMQRQOMWUUETDC-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE C=CCN(CC[C@H](N)c1c(C)c(C)c(Br)c(C)c1C)C(=O)OC(C)(C)C 2348287521 KUTBVIMVVQZAJT-KRWDZBQOSA-N 425.411 5.496 30 10 IKEE C#CCCCCCCNC(=O)c1cc(NC(=O)OC(C)(C)C)c(C)cc1Br 2364146525 KYQWDFLPILYWIX-UHFFFAOYSA-N 437.378 5.418 30 10 IKEE CN(Cc1csc(Br)c1)c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2365050598 PPTDFLXILPLJCR-UHFFFAOYSA-N 435.196 5.187 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1coc(C(F)(F)F)n1 2367916156 KCALNIQXSRABNY-ZDUSSCGKSA-N 446.223 5.462 30 10 IKEE COCc1ccc(CN(C(=O)OC(C)(C)C)[C@H](C#N)c2cc(Cl)c(Cl)s2)s1 2368038866 DNYKLUNODWUUST-CQSZACIVSA-N 447.409 6.265 30 10 IKEE CCc1ccc(-c2cs/c(=N\C)n2/N=C/c2ccc(N(C)c3ccccc3)cc2)cc1 15910582 YMRICRAMKBKBTR-RSPZHNBXSA-N 426.589 5.960 30 10 IKEE CSc1nc2n(n1)[C@H](c1ccc(OCc3ccccc3)cc1)C1=C(CC(C)(C)CC1=O)N2 19645030 FJVDZMSTTGHWKK-JOCHJYFZSA-N 446.576 5.237 30 10 IKEE CCCCCSc1nc2n(n1)[C@H](c1cccc(Cl)c1)C1=C(CC(C)(C)CC1=O)N2 20850243 HJFCDOZPRJQOBK-LJQANCHMSA-N 431.005 5.872 30 10 IKEE COc1ccccc1N1C(=O)S/C(=C/c2ccccc2OCc2ccccc2C#N)C1=O 33305006 LJKOXWJRENCPTK-OEAKJJBVSA-N 442.496 5.387 30 10 IKEE C=CCn1c(C)c(/C=C2\S/C(=N/c3ccc(C(=O)O)cc3)N(C)C2=O)c2ccccc21 35657213 ADOUNWVHJKMVRZ-YCBMQGOFSA-N 431.517 5.068 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OC(=O)c3cc4cccc(OC)c4o3)ccc2C1=O 41354124 VPNXGQPNXBGAQA-UUYOSTAYSA-N 442.423 5.285 30 10 IKEE COc1cccc(COc2cc(C)c3c(c2)O/C(=C\c2ccc(OC)cc2OC)C3=O)c1 41504036 MRQIOHWFGXZDCL-MSXFZWOLSA-N 432.472 5.216 30 10 IKEE C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C(O)=NC1=S 96476988 BYWURXWXAQUEJB-OQLLNIDSSA-N 434.348 5.054 30 10 IKEE CCCCCCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 100441824 NRIBBGYUIUPPLZ-UHFFFAOYSA-N 436.662 6.111 30 10 IKEE Cc1ccc(C(=O)O/N=C2/C[C@@]3(C(=O)Nc4ccc(C(C)C)cc4)CC[C@@]2(C)C3(C)C)cc1 100963976 YXUPKPQUXJXFIN-SMUKWRJTSA-N 446.591 6.486 30 10 IKEE O=C(/C=C\Nc1ccccc1-c1cccc(N/C=C/C(=O)C(F)(F)F)c1)C(F)(F)F 101362308 SJRVXUNODVGNTM-GOOGBFEESA-N 428.332 5.468 30 10 IKEE CCCCCCCCCCCn1c([C@@H](C)NC(=O)c2ccc(C)cc2C)nc2ccccc21 102115375 SQMNDTOBSBLXKY-XMMPIXPASA-N 447.667 7.675 30 10 IKEE CCCCCCCCCn1c(CCCCCNC(=O)c2ccccc2C)nc2ccccc21 102165779 WAINRHFIJGEATR-UHFFFAOYSA-N 447.667 7.238 30 10 IKEE CN(C)c1ccc(/C=C(/C(=O)c2ccc(Br)cc2)c2nc3ccccc3o2)cc1 102617264 XXEZBWYDAKBZSN-HKWRFOASSA-N 447.332 6.080 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2cccc(C)c2)c1 169930746 WQIGTBKECRQMKR-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1cccc(C)c1C 169944226 ZPSBZAAEBFQBOY-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccc(O)cc2)c1 169960562 IMMLOYDMJSOSGC-AREMUKBSSA-N 449.506 5.945 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc(C)c2)c1 169972853 MRELOWKQKDTFQN-XMMPIXPASA-N 427.500 5.091 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2nc3ccccc3[nH]2)c1 169973156 ZBYJHPQZTJBDHF-QHCPKHFHSA-N 437.499 5.271 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(C(C)(C)C)cc2)ccc1F 169974866 MMGYJGUGRZGVEY-DEOSSOPVSA-N 443.518 6.215 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@@H]2c2ccccn2)c1 169992287 RTAHVAQEJSAPBP-HSZRJFAPSA-N 442.515 5.171 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2ccccn2)c(C)c1 169993874 ZRNXGCIONOJVER-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2c[nH]c3ccccc23)c1 170074361 XYDSWNBLCXOSGQ-VWLOTQADSA-N 436.511 5.876 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 170076547 NIGFLOSWYTUSLC-QHCPKHFHSA-N 437.455 5.021 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2sccc2C)c1 170106568 SMFKJWDQIQOTIC-HXUWFJFHSA-N 437.948 6.110 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc(OC)c1 170121185 OGRRRJHYSVNOJV-DEOSSOPVSA-N 429.516 5.617 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccc(C)c2)cc1C 170142189 PNOVZLWEUCZZOW-XMMPIXPASA-N 427.500 5.403 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2cccs2)c1 170157948 HCFZGMFMSOXQKL-QFIPXVFZSA-N 433.529 5.547 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccs2)cc1 170166638 XNUBSIYQGVJTME-QFIPXVFZSA-N 439.577 5.838 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccn1 170173275 YDNQTRSAYBVTRZ-HSZRJFAPSA-N 426.516 5.470 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccccn1)c1cccc(Cl)c1 170173913 WYFLZHBBQWJMQE-LJQANCHMSA-N 425.271 5.171 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(Cl)c3)[C@@H]2c2ccccn2)cc1 170174351 SRTGNTIWXKOVRY-FQEVSTJZSA-N 439.298 5.480 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2cccnc2)c1 170185125 WFHAVMAEFDNXFY-XMMPIXPASA-N 442.515 5.269 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@H]1c1ccncc1 170202127 SETRKBUJYVQQCM-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccncc2)cc1C(C)C 170206261 QUKBIUKMDBMOQR-DEOSSOPVSA-N 442.515 5.305 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2ccccc2)cc1C 170227606 WUCJEZPQXWSIQH-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccccc1)c1ccc(Cl)c(Cl)c1 170231473 JMLRTGNQKHNXRJ-FQEVSTJZSA-N 430.331 5.904 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccc(F)cc1)c1ccc2c(c1)CCCO2 170238373 CHMRSZPNRFGBGJ-QHCPKHFHSA-N 447.437 5.073 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1ccc(F)cc1 170238949 DRVFDNVCVABOEM-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1ccccc1F 170249607 JCACTFYHIIVUNO-XMMPIXPASA-N 445.490 5.704 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccc2C)cc1Cl 170271463 CYMZDPWQLCNIOP-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2OCC)[C@@H]1c1ccccc1C 170276681 HKEWFDXZGKBECU-QHCPKHFHSA-N 437.536 5.171 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccco2)c1 170287505 QFLVVRGQXHDYQQ-NRFANRHFSA-N 437.879 5.423 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 170454931 UKEGGNBIMQTNSJ-QHCPKHFHSA-N 448.494 5.043 30 10 IKEE Cc1cccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(Nc3ccccc3)cc2)c1 170460707 CAWBGDQBAWTLMX-SANMLTNESA-N 440.543 6.254 30 10 IKEE CCc1ccc(N=C2S/C(=C\c3ccccc3F)C(=O)N2c2ccc(CC)cc2)cc1 252616594 KBLXMUMJJKKJAP-AIMMPNMZSA-N 430.548 6.759 30 10 IKEE CCCN1C(=O)/C(=C/c2ccc(Br)o2)SC1=Nc1ccc(OCC)cc1 252625503 QLLQUGNDJAOTRH-QHOMEFQRSA-N 435.343 5.455 30 10 IKEE C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@@]43C)[C@H]1C/C(=C/c1ccc(Br)cc1)C2=O 253562011 CTGFFXZZHKKDLF-BKMQPHDGSA-N 441.453 7.444 30 10 IKEE CCCCCCCCCCOc1ccc(C=Nc2ccc(OCC3=CCOCC3)cc2)cc1 254872943 CKOIOZPSWBGYQT-UHFFFAOYSA-N 449.635 7.682 30 10 IKEE COc1ccc(N=C(N2CCCCC2)P(=O)(N2CCCCC2)N2CCCCC2)cc1 263621565 STMWIRUKXDCINS-UHFFFAOYSA-N 432.549 5.334 30 10 IKEE Cc1cc(Cl)ccc1NC1=C(SCc2ccco2)C(=O)N(c2ccccc2C#N)C1=O 526647510 RJTQCPVLKJHFCQ-UHFFFAOYSA-N 449.919 5.243 30 10 IKEE N#Cc1cccc(NC2=C(Sc3ccc(Cl)cc3)C(=O)N(c3cccc(F)c3)C2=O)c1 526663778 XAHAYGIBHYIGAK-UHFFFAOYSA-N 449.894 5.340 30 10 IKEE Cc1cccc(N2C(=O)C(Nc3ccccc3C#N)=C(Sc3ccc(Cl)cc3)C2=O)c1 526663867 BBMRHZVHPLCYAA-UHFFFAOYSA-N 445.931 5.509 30 10 IKEE CCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1ccc(OC)c(Br)c1 526804569 XUDHNEGYLHZXQQ-UUYOSTAYSA-N 445.386 5.095 30 10 IKEE CCCCOc1cccc(/C=N\n2c(C)nnc2SCc2ccc(C(C)(C)C)cc2)c1 526805180 FZMKTBGBQDIEDZ-ONUIUJJFSA-N 436.625 6.237 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1nc(C)c(Br)s1 719322035 MQUFLMZDFRIIQD-ZDUSSCGKSA-N 438.347 5.229 30 10 IKEE c1ccc(CN(CCC/N=C2/N[C@H](C3CCCCC3)CCS2)Cc2ccccc2)cc1 725078189 RJFZOXCFQVDTQH-SANMLTNESA-N 435.681 6.110 30 10 IKEE CC1(C)[C@H](/C=C(/Cl)C(F)(F)F)[C@H]1C(=O)O[C@@H](c1ccc(C#N)cc1)C(F)(F)F 1615216748 JCFCFHCAYVNVHL-LEPCTEACSA-N 425.756 5.662 30 10 IKEE O=C1/C(=C/c2ccco2)SC(=Nc2nc(-c3ccccc3)cs2)N1C1CCCCC1 1772740144 YOOWHYVBFVAEBC-VASVRFFCSA-N 435.574 6.340 30 10 IKEE CCc1ccc(-c2cc(C(=O)Nc3ccccc3C#N)nn2Cc2ccc(Cl)cc2)cc1 1859397833 UKZIOBQLBDUUQL-UHFFFAOYSA-N 440.934 5.938 30 10 IKEE C=CCN(C(=O)c1cc(OCC)c(OCC)c(OCC)c1)C1CCC(C(C)(C)C)CC1 1860017293 BPUVGMILIJXICP-UHFFFAOYSA-N 431.617 6.116 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](C)Oc1ccc2c(C)c(CCCCCC)c(=O)oc2c1C 1860256759 TWGABVOIZHINLN-HXUWFJFHSA-N 425.569 5.501 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 1861561785 HPSHZAGHDDEYIX-UMHYRIRXSA-N 442.688 6.539 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1cccc(OC)c1 1862385145 IRFCMSJPIOPQIA-HXPMCKFVSA-N 434.319 5.379 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1c(Cl)cccc1Cl 1862466807 AYFMXNHQAKLPFB-QGZVFWFLSA-N 444.236 5.399 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862477163 SUMCATRYBVHNBN-DEOSSOPVSA-N 427.500 5.091 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862477913 VLZJHAZOSLIMMK-XMMPIXPASA-N 428.532 5.777 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cccc(Cl)c1 1862490806 DSOXMNBTRRZQPO-JOCHJYFZSA-N 425.956 6.115 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862497242 FDFPBSURIYKQGR-NBGIEHNGSA-N 449.591 6.249 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2cccc3ccccc23)cc1 1862530901 AGVHAHDLXCUAHW-VWLOTQADSA-N 443.543 5.406 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(Cl)cc2Cl)c1 1862562829 OPRHIRVADFVHEN-HXUWFJFHSA-N 445.346 5.487 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CCC(C)C)c1 1862581410 HNGOQYFWSSODBI-FQEVSTJZSA-N 448.346 5.626 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCCCc2ccccc2)cc1 1862589118 FFWLZJZAUIBJJL-RUZDIDTESA-N 441.527 5.302 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(O)cc2)cc1 1862613927 SUFNAQKXGDZSNA-QFIPXVFZSA-N 447.556 5.530 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccccc2)cc1F 1862637258 WBDONZSPJVZRFS-QMHKHESXSA-N 431.463 5.174 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccc(Cl)cc2Cl)cc1 1862668404 YEMVWMQBGCNVCK-FQEVSTJZSA-N 430.331 5.858 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1c(F)cccc1Cl 1862677654 HVACOPPPGCWYBQ-GIWSNZPPSA-N 445.893 5.775 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc2ccccc12 1862678644 STCSCORPMWVWEU-HGMMTPDKSA-N 443.518 6.136 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccc1 1862713856 YJGNHLVNUMTNAM-AFMDSPMNSA-N 433.507 6.179 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccc(O)c1 1862722571 ULEQOBVHDQVEQK-VWLOTQADSA-N 441.527 5.684 30 10 IKEE CSc1cccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(Cl)cc3)C2=O)c1 1862802053 SYLVPOLDFHBBIF-UHFFFAOYSA-N 445.931 5.330 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(Cl)cc3Cl)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862905547 SNUJQKMJTWSHRM-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccc(C(C)(C)C)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1863030454 DUKROALIPXMNTH-UHFFFAOYSA-N 449.554 5.869 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(F)cc3)C2=O)cc1 1863151888 NGSRXWVHNUJNMN-QGZVFWFLSA-N 439.490 5.213 30 10 IKEE CCCCCCN1C(=O)C(Nc2cccc(C#N)c2)=C(c2cc(Cl)ccc2Cl)C1=O 1863388664 USMKNAFTXWLCAL-UHFFFAOYSA-N 442.346 5.637 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccccc2F)=C(c2cccs2)C1=O 1863807828 BWVAFNVEOZCKMF-UHFFFAOYSA-N 442.600 5.898 30 10 IKEE Cc1cc([C@H](CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(C)C)ccc1F 1868172193 HNNZTUGWZZYDIO-QGZVFWFLSA-N 435.383 6.940 30 10 IKEE CCc1nc(Nc2cccc(C#N)c2)cc(N2C[C@@H](c3ccccc3)Cc3ccccc32)n1 1868268374 JQTYMRGCVNJTFY-QHCPKHFHSA-N 431.543 6.132 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](c1ccc(C(C)C)cc1)C(C)C 1868854493 ZEYCNWQDICKNGB-SVBPBHIXSA-N 446.635 5.478 30 10 IKEE CCCCCCCOc1cn(CCCn2ccnc2)c(CSc2ccccc2)cc1=O 1870259816 JWTKBZZZZLGARU-UHFFFAOYSA-N 439.625 5.777 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCCC(C)C)c(=O)cc1CSCC 1870306373 IEBNDUJNULNOKS-UHFFFAOYSA-N 425.635 5.430 30 10 IKEE C#CCOc1cn(CCc2ccc(C)cc2)c(CN(CCCC)CCCCCC)cc1=O 1870560563 BPISZGGDKVNBAG-UHFFFAOYSA-N 436.640 5.594 30 10 IKEE C=CCOc1cn(CCc2c[nH]c3ccccc23)c(CNc2ccc(C)cc2C)cc1=O 1870809011 LLNOXBXBQSKRFF-UHFFFAOYSA-N 427.548 5.366 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2)c(CNc2ccc3cc[nH]c3c2)cc1=O 1870833417 HWQVAKFIAATORE-UHFFFAOYSA-N 443.591 6.339 30 10 IKEE CCCCCCCOc1cn(CCN(C)C)c(CNc2ccc(Cl)cc2C)cc1=O 1870838101 OPCJECWCPLOCPA-UHFFFAOYSA-N 434.024 5.333 30 10 IKEE CCc1ccc([C@@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2cccc(F)c2)C4=O)cc1 1871354123 HYDJOKLLUANMEL-YMKHCOABSA-N 429.491 5.917 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OC(=O)c4ccc(-n5cccc5)cc4)cc(C)c3C2=O)c1 1871383430 ABHYJCMOFLJZOV-XYGWBWBKSA-N 435.479 5.930 30 10 IKEE CC(C)(C)c1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCc4ccccc4C3)C2=O)cc1 1871394712 MPFQPPFBUHSBSH-QQXSKIMKSA-N 439.555 5.864 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)OC(C)C)cc2c1C(=O)/C(=C/c1ccc(Cl)cc1Cl)O2 1871400795 LLYRBZNUEXBJRC-YPPWBJDHSA-N 435.303 5.637 30 10 IKEE CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O 1871401888 BODOAQMLDZOSRU-WMWHPZEKSA-N 429.472 5.108 30 10 IKEE COc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4C)ccc3C2=O)cc1 1871404065 IGFDINOUWYYRST-PDESAOGPSA-N 429.472 5.026 30 10 IKEE Cc1ccc(OCCOc2cc(C)c3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)cc1 1871404664 BPBUKOIHTGNVMX-UCQKPKSFSA-N 431.444 5.286 30 10 IKEE Cc1ccccc1OCCCCOc1ccc2c(c1C)O/C(=C\c1ccc(F)cc1)C2=O 1871406238 YGYJGCJQINXVCJ-UQQQWYQISA-N 432.491 6.297 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4c(C)cccc4C)ccc3C2=O)cc1 1871440197 BZYQGJZJKDBBTI-OYKKKHCWSA-N 427.500 5.500 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(F)c(F)c4)ccc3C2=O)cc1 1871440753 GDSPYFIEFKCFCI-MYKKPKGFSA-N 449.453 5.722 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2cccs2)C3=O)cc1 1871450090 AOKYVTIZFGLRTK-GMPVXANTSA-N 447.556 6.204 30 10 IKEE CCOc1ccc(-c2nc(C3=C(N)N(c4ccc(C(C)C)c(C)c4)CC3=O)sc2C)cc1 1872726059 IGXAZPYOGJOCTH-UHFFFAOYSA-N 447.604 5.666 30 10 IKEE N#C[C@H](C(=O)c1ccc(F)c(F)c1F)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872759375 MMVSMYYWBARBED-GOSISDBHSA-N 434.442 6.384 30 10 IKEE Cc1ccc(C)c(-c2csc([C@H](C#N)C(=O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)c1 1872773171 XUFLZYNFBVZTAX-RCZSKKKRSA-N 443.572 5.213 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)cc3[N+](=O)[O-])n2)c(C)c1C 1872778993 YWVCABCXXHMNMO-INIZCTEOSA-N 441.896 5.487 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@@H](C#N)C(=O)c2ccc(Cl)c(Cl)c2)n1 1872781523 WGSIDHOUPKEZHR-HNNXBMFYSA-N 431.344 6.232 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)COc2ccc(C)c(C)c2)n1 1872786395 IYFXCQGKRYXYEJ-LJQANCHMSA-N 440.952 5.653 30 10 IKEE CCCc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc1 1872787865 AADJSGTVXZBUMJ-LJQANCHMSA-N 440.952 5.680 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCC)=C(c2cccc(Br)c2)C1=O 1873057697 ZEYSWUULOBERTD-UHFFFAOYSA-N 435.406 5.279 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)cc2)=C(c2cc(F)c(F)cc2F)C1=O 1873241706 FKGSJLCTAZMEHU-UHFFFAOYSA-N 448.460 5.796 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2cc(F)cc(F)c2)C1=O 1873314759 KQFDNNOCXCBKEJ-OAQYLSRUSA-N 437.490 5.387 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc3c(c2)OCCO3)=C(c2ccccc2)C1=O 1873415011 FAFIJTHULPZQPK-UHFFFAOYSA-N 434.536 5.010 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1cccn1C 1874197158 VLEJFPCFOMEHDE-YZSQISJMSA-N 445.592 5.332 30 10 IKEE CSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1cc(C)ccc1O 1874197854 DCYMTMBUCFYPOJ-PCLIKHOPSA-N 432.549 5.061 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccc(OC)cc1 1874214654 XZJJBWVSKCRRTQ-LFVJCYFKSA-N 444.988 5.336 30 10 IKEE CCOc1ccccc1OCc1nnc(SCc2ccccc2C)n1/N=C/c1ccco1 1874240600 PCCQFQFXCHRGMB-MFKUBSTISA-N 448.548 5.332 30 10 IKEE Fc1ccccc1CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1cccs1 1874342131 AARHQJLLCFYHOD-ZMOGYAJESA-N 442.972 5.897 30 10 IKEE Cn1cccc1/C=N/n1c(SCc2ccccc2Cl)nnc1-c1ccccc1Cl 1874365757 SKTVJHIVRIUMAG-ZMOGYAJESA-N 442.375 5.765 30 10 IKEE Cc1ccccc1/C=N/n1c(Cc2ccc(F)cc2)nnc1SCc1ccc(F)cc1 1874378135 FWHQHQBLTXUPPF-JFLMPSFJSA-N 434.515 5.630 30 10 IKEE Cc1ccc(Cc2nnc(SCc3c(F)cccc3Cl)n2/N=C/c2ccco2)cc1 1874391503 JJMYYXVWFLVGTB-DHRITJCHSA-N 440.931 5.737 30 10 IKEE Cc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCCc2ccccc2)cc1 1874403700 NKUPSEQOXYJNBH-NHFJDJAPSA-N 426.589 5.589 30 10 IKEE COc1ccccc1/C=N/n1c(Cc2cccs2)nnc1SCc1ccc(C)cc1 1874410950 DQVNGRRDWQRTSK-BUVRLJJBSA-N 434.590 5.422 30 10 IKEE Cc1ccccc1/C=N/n1c(SCC(=O)Nc2ccccc2C)nnc1-c1cccs1 1874421904 KJUQXTFSPYHTAX-ZVHZXABRSA-N 447.589 5.236 30 10 IKEE CCSc1nnc(-c2ccccc2)n1/N=C/c1ccc(OCc2ccccc2)c(OC)c1 1874427303 BNLGRAUMAADGBP-YZSQISJMSA-N 444.560 5.527 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc(F)c2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874437705 ORUQUDGCVJYGCA-YDZHTSKRSA-N 427.505 5.089 30 10 IKEE Cc1ccsc1/C=N/n1c(CC(C)(C)C)nnc1SCc1c(F)cccc1Cl 1874440955 BGQUFKBXUTYSFJ-FOKLQQMPSA-N 437.009 6.204 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccco2)cc1 1874466657 UFDOHHOQXMVQLT-KOEQRZSOSA-N 431.565 5.559 30 10 IKEE CCCOc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2ccccc2Cl)cc1 1874490347 LVFDQZBNGZMMOA-MFKUBSTISA-N 443.016 6.093 30 10 IKEE C=C(C)CSc1nnc(COC)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874501774 ZJZGSMOFMUOXLV-WYMPLXKRSA-N 442.972 5.207 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2cccc(Cl)c2)c1 1874511908 QWJUGKIFXMIBNL-WYMPLXKRSA-N 441.988 5.285 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(O)cc1O 1874516619 ASBISPDTEQAZOB-LSFURLLWSA-N 437.352 5.294 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2c(OCc3ccccc3F)ccc3ccccc23)c1 1874580886 KLYPDYYFMJMRHX-BUHFOSPRSA-N 442.486 6.471 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1c(OCc2cccc(C)c2)ccc2ccccc12 1874592024 ONMNAWLXOPOXSA-OUKQBFOZSA-N 442.942 7.285 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 1874597141 WORQDKHWADVRGZ-VGOFMYFVSA-N 439.382 7.766 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2cccc(OCC(=O)OCC(C)C)c2)cc1Cl 1874600068 QWZBLFGINGVYSY-BQYQJAHWSA-N 437.319 5.476 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OCc1ccc(F)cc1 1874617492 FBESUDHMPIUFET-GXDHUFHOSA-N 430.519 6.655 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)cc(OC)c1OCCC 1874628592 LHPPWGZWVGAWCI-CMDGGOBGSA-N 435.347 6.424 30 10 IKEE CCCOc1c(Br)cc(/C=C/C(=O)c2ccc(OC)cc2OC)cc1OCC 1874632627 MTUVOQWHHMKJRE-JXMROGBWSA-N 449.341 5.550 30 10 IKEE CCOc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c(C)c3)c2)cc1 1874696109 JDAPOIHJFAKCJG-RIYZIHGNSA-N 446.499 5.283 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)cc3)c2)cc1 1874698157 YQUQIABIUOTKEG-WOJGMQOQSA-N 444.527 5.918 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OC(=O)Cc1ccccc1[N+](=O)[O-] 1874701547 YKWNGXXCLONUCX-FMIVXFBMSA-N 445.471 5.264 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)c1ccccc1 1875112014 RFSDCJWRZGSUKM-OUKQBFOZSA-N 441.310 6.507 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3Cl)cc2[N+](=O)[O-])c1 1875113355 FRPHOOQYXHWIDG-PKNBQFBNSA-N 449.890 5.909 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(F)cc2F)c(Cl)c1 1875118923 VWIMRRICCNHXQC-UXBLZVDNSA-N 428.818 5.742 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccccc3CC)cc2)cc1 1875129514 GHEDRJKXXBBWGU-WOJGMQOQSA-N 430.500 5.528 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc4ccccc4n3C)c([N+](=O)[O-])c2)cc1 1875135944 PLYQMIMJPKQGKR-UKTHLTGXSA-N 440.455 5.510 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)COc1ccc(C)c(C)c1 1875139810 BDPQULSBOFJSAG-FMIVXFBMSA-N 444.527 5.809 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC(=O)[C@H]1CCCO1 1875149146 AXYHQTNCKIVABI-USXRGHEGSA-N 448.559 5.702 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)ccc1OC(=O)c1cncc(C)c1 1875151738 AEGHQEZQFBLHTM-VMPITWQZSA-N 435.451 5.052 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc1Cl 1875188295 RWQWFANTMXBUOW-ZRDIBKRKSA-N 428.956 6.737 30 10 IKEE C=C(COCc1ccccc1)[C@H](N)[C@H](O)c1ccc(-c2ccccc2Br)s1 1922066142 ROWNHICLXNWPNM-FCHUYYIVSA-N 444.394 5.311 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CC[C@H](C2CC2)N1C(=O)OC(C)(C)C 1922091853 NESWFBOHCOZAKD-SMIHKQSGSA-N 428.617 5.306 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1ccc(NC(=O)OC(C)(C)C)c(Cl)c1 1922106850 HGTPWOAUCYYBCW-QFIPXVFZSA-N 430.976 6.111 30 10 IKEE CCCCCCC[C@H](N)c1c(Br)sc(Br)c1Br 1924569057 PHMMTLFBACQOKL-QMMMGPOBSA-N 448.062 6.396 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@](C)(C#N)[C@@]1(C)CCN1C(=O)OC(C)(C)C 1999898886 XRNYCSDRMFREED-DHIUTWEWSA-N 449.979 5.763 30 10 IKEE C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2020301583 YUOHCVKAYOLBBB-MHECFPHRSA-N 435.609 5.486 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C1(C)C 2053052477 QDLBVRBANURVJO-VOIUYBSRSA-N 447.551 5.400 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(Br)ccc(Cl)c1F 2063093555 BRZMYBBOHPOWNC-CJNGLKHVSA-N 435.765 5.362 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)C2(CCC2)C1 2075895676 NZSNDAVTRVCJAK-PMACEKPBSA-N 447.620 5.486 30 10 IKEE Cc1ccc([C@H](n2nc(C(F)F)c(C#N)c2I)C(C)(C)C)c(F)c1 2079136859 DQAKJDLUUUNSKN-AWEZNQCLSA-N 447.242 5.380 30 10 IKEE CC[C@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(C)(C)C)c(C#N)c1Br 2079957715 LYNVOLZBZIBMDF-CQSZACIVSA-N 432.259 5.972 30 10 IKEE N#Cc1c(C2CCCCC2)nn(Cc2ccc(F)cc2C(F)(F)F)c1Br 2080306058 GOGTYLATVOFBTF-UHFFFAOYSA-N 430.243 5.771 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@@H](C(C)C)N(Cc2ccccc2)C1 2090226027 FMKASGHDSIOHFG-HOFKKMOUSA-N 449.595 5.630 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)c(C)c(Br)c1)NCC 2111272046 GMUYCKVMAUINOK-QZTJIDSGSA-N 445.829 5.401 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H]3C[C@H](OCc4ccccc4)C[C@@H]32)c1 2133970855 XJQJELMVLBYJKX-GGHZGINBSA-N 448.563 5.714 30 10 IKEE CCCCCCCCCCNC(=O)c1csc(Br)c1Br 2150363437 XCVQOFRXBQITGS-UHFFFAOYSA-N 425.230 6.144 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1cccc2c1CCC2 2156048077 XVHPMVKPAHVVSN-FQEVSTJZSA-N 427.342 5.944 30 10 IKEE CCC[C@@]1(CNc2ccc(C#N)cc2Br)CCCN(C(=O)OC(C)(C)C)C1 2162417102 YGNDYCYNJAEGHS-NRFANRHFSA-N 436.394 5.550 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@H](C#N)c1c(F)cc(Br)cc1F 2170704557 NHMWUDCRJAKCJB-KRWDZBQOSA-N 443.332 6.252 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1ccc(C2CC2)nc1 2181761984 JUDXOMLDRKXFNX-IBGZPJMESA-N 428.330 5.728 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@](C)(C#N)c1ccc(CN)cc1 2187551152 JTFRAWOWFFBQIW-OAQYLSRUSA-N 430.346 5.088 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(C#N)c(Br)c2F)[C@H]1C(C)(C)C 2192488502 QDOPPEMWFJTRHC-YOEHRIQHSA-N 440.357 5.296 30 10 IKEE C=C([C@@H](NC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)C(C)(C)C 2229112983 FGADKHQVDJMENJ-QZTJIDSGSA-N 425.411 5.075 30 10 IKEE CCCC#C[C@@H](NCCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2233756013 XKVJMZGUBLYJCD-WOJBJXKFSA-N 437.422 5.057 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[C@H]2Nc2ccc(C#N)c(Br)c2)C1 2233766066 WUPFOYDUNKVYRP-SZVBFZGTSA-N 434.378 5.158 30 10 IKEE C=C1C[C@H]1C[C@@H](NCCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237466947 XAMHJFFNSAXSCM-SXLOBPIMSA-N 437.422 5.219 30 10 IKEE CCN[C@@H](C#Cc1ccc(Cl)cc1)c1csc(Br)c1Br 2239559250 OQXOSGHXCHTMRS-ZDUSSCGKSA-N 433.596 5.629 30 10 IKEE CCCCCCCC[C@@](C)(CO)N(C(=O)OCc1ccccc1)c1ccc(Cl)cc1 2240560996 OWLJHNYYPHEOGY-VWLOTQADSA-N 432.004 6.985 30 10 IKEE CC(C)(C)OC(=O)NCc1ccc(Nc2ccc(C#N)cc2Br)cc1Cl 2266933260 YHHOFURAGWHNAA-UHFFFAOYSA-N 436.737 5.742 30 10 IKEE C=CCCCC[C@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2276502893 GLXHAGRKXLZUTM-MHZLTWQESA-N 445.603 6.607 30 10 IKEE C=CCCC1(C(=O)Cc2ccc(Br)c(F)c2F)CN(C(=O)OC(C)(C)C)C1 2280949810 OGAUBISGSCQNOZ-UHFFFAOYSA-N 444.316 5.042 30 10 IKEE C=CCCC1([C@@H](Cc2cccc(C)c2Br)NC)CN(C(=O)OC(C)(C)C)C1 2281036624 AMFHYOVRVYJEFL-GOSISDBHSA-N 437.422 5.091 30 10 IKEE CC(C)[C@@]1(Nc2ccc(C#N)c(Br)c2F)CCCN(C(=O)OC(C)(C)C)C1 2289960426 QZECJNFHNXWVTC-HXUWFJFHSA-N 440.357 5.297 30 10 IKEE CCCCN1C(=O)C(=C2Sc3ccc(OC)cc3N2C)SC1=NCc1ccccc1 2295203862 PBFNGFZVZGQPST-UHFFFAOYSA-N 439.606 5.338 30 10 IKEE CN[C@@H](C#Cc1ccc(Br)cc1)c1cccc(F)c1NC(=O)OC(C)(C)C 2296309500 WPGRGSZUHTXHPJ-SFHVURJKSA-N 433.321 5.247 30 10 IKEE C[C@@H]1Oc2ccccc2C=C1C=C1Oc2cc(OC(=O)c3ccc(F)cc3)ccc2C1=O 2296362849 AELSKUVTZRNISM-HNNXBMFYSA-N 428.415 5.368 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 2296548805 BYVTVBKHZVAONA-XMMPIXPASA-N 429.903 5.831 30 10 IKEE Cc1ccc(N=C2SC(=C3C(=O)Nc4ccccc43)C(=O)N2c2ccc(C)cc2)cc1 2296879901 IZYQENPJHGQEQI-UHFFFAOYSA-N 425.513 5.434 30 10 IKEE O=C(C=Cc1ccc2c(c1)OCCO2)c1cc(Cl)cc(Cl)c1OCc1ccccc1 2297450659 KBRDSYJNSDGBBE-UHFFFAOYSA-N 441.310 6.240 30 10 IKEE CC[C@H](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 2303929837 GCWMZOCKEPPNDZ-BXTJHSDWSA-N 449.514 5.246 30 10 IKEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 2313420078 QVXDIXFORIOKSB-SFIUMABJSA-N 436.548 5.005 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)C=Cc3ccco3)=C(O)C(=O)N2Cc2cccnc2)cc1 2314522657 SAIUOPRLZBQBLZ-XMMPIXPASA-N 442.515 5.150 30 10 IKEE CCOc1ccc(C=C2SC(=Nc3ccncc3Cl)N(C3CCCCC3)C2=O)cc1 2314541889 DDCZUJIDBWGIJF-UHFFFAOYSA-N 441.984 6.070 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2N=Cc2cccc(Cl)c2)cc1 2318573924 AQEXPHFBBGRMHJ-UHFFFAOYSA-N 447.007 6.200 30 10 IKEE Cc1cc(OCC(=O)OC(C)(C)C)cc2c1C(=O)C(=Cc1ccccc1Br)O2 2321734311 ACAFFAIVCGMEFR-UHFFFAOYSA-N 445.309 5.094 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OCc4ccc(Cl)cc4)ccc3C2=O)cc1 2321769963 HNMSQGQYAKZGPY-UHFFFAOYSA-N 433.935 6.381 30 10 IKEE COc1ccc(CN2COc3cc(C)c4c(c3C2)OC(=CC=Cc2ccccc2)C4=O)cc1 2321955278 ABJPFRWBSLKICW-UHFFFAOYSA-N 439.511 5.528 30 10 IKEE Cc1cccc(OCCCc2nnc(S)n2N=Cc2cccc(Oc3ccccc3)c2)c1 2322172199 UTZXWEKLPGROCN-UHFFFAOYSA-N 444.560 5.561 30 10 IKEE CCOc1ccc(C=Nn2c(S)nnc2CCCOc2ccc3ccccc3c2)cc1 2322267165 WFZQXUANKAJHDN-UHFFFAOYSA-N 432.549 5.013 30 10 IKEE CCc1ccc(C=C2Oc3c(cc4c(c3C)OCN(CCc3ccc(F)cc3)C4)C2=O)cc1 2322286810 LARNUDAQZBTLON-UHFFFAOYSA-N 443.518 5.707 30 10 IKEE COc1ccc(CN2COc3c(cc4c(c3C)OC(=Cc3ccc(F)cc3)C4=O)C2)cc1 2322305289 RABQLGUQHGVZOM-UHFFFAOYSA-N 431.463 5.111 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(Cl)cc2C=CC(=O)c2ccc(Cl)cc2)o1 2322534953 FQTQEOOFPMEKIA-UHFFFAOYSA-N 445.298 6.238 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1c(OCc2ccccc2Cl)ccc2ccccc12 2322642012 QXCHUXWOGMRCFG-UHFFFAOYSA-N 442.942 7.285 30 10 IKEE Cc1c(OC(=O)c2ccccc2)ccc2c1OC(=Cc1ccc(Br)cc1)C2=O 2322662905 RTULJTWBBAHTCX-UHFFFAOYSA-N 435.273 5.593 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OCC(=O)Nc2cccc(C)c2C)c1 2323177318 ZUKXYSKPIXMDTL-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)c1 2323261647 BAJBLCVIXCVEKF-UHFFFAOYSA-N 447.487 5.867 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(N(C)C)cc2)C3=O)c1 2323802775 LZWIAJVNVSAKPF-UHFFFAOYSA-N 443.499 5.295 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc(Br)c1OC 2323890210 WBJOHVAYJYUZNG-UHFFFAOYSA-N 430.125 6.059 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OCc3cccc(Cl)c3)c([N+](=O)[O-])c2)cc1 2324161828 UJLISCCGVJTMSJ-UHFFFAOYSA-N 435.907 6.847 30 10 IKEE C[C@@H](Oc1ccc2c(c1)OC(=Cc1ccc(C(C)(C)C)cc1)C2=O)C(=O)Nc1ccccc1 2324398402 DFIKILLRQLJSSJ-GOSISDBHSA-N 441.527 6.006 30 10 IKEE COc1ccc(C)cc1-c1csc([C@@H](C#N)C(=O)C=Cc2ccc(Cl)cc2Cl)n1 2324572419 CGPQOXYQJVDHQU-KRWDZBQOSA-N 443.355 6.324 30 10 IKEE CC(C)c1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(Cl)cc3Cl)n2)cc1 2324647800 NRDPIJCKFBHECE-IBGZPJMESA-N 441.383 7.130 30 10 IKEE COc1ccc(C=C2Oc3cc(OCCOc4cccc5ccccc45)ccc3C2=O)cc1 2324693407 FLXKQSUCHIZIFG-UHFFFAOYSA-N 438.479 5.922 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@H](C#N)C(=O)C=Cc2ccc([N+](=O)[O-])cc2)n1 2324725989 AIZANSNUIQLKTM-LJQANCHMSA-N 433.489 5.233 30 10 IKEE CCCCCCCCCCOC(=O)COc1ccc2c(c1)OC(=Cc1ccco1)C2=O 2325045290 MVZYKSVBSSYLJV-UHFFFAOYSA-N 426.509 5.959 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(OCCc4ccc(C)cc4)c3C)C2=O)c2ccccc21 2325369938 MNXMHRQKPBBOMY-UHFFFAOYSA-N 437.539 6.516 30 10 IKEE COc1cccc(C=C2Oc3cc(OCC(=O)Nc4ccc(Cl)cc4)cc(C)c3C2=O)c1 2325513488 QFPJXZZLHQRPJW-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE CCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1N=Cc1ccc(C(C)C)cc1 2325552652 OUNAPPIAJZAVOD-UHFFFAOYSA-N 440.569 5.298 30 10 IKEE Cc1cc(OCCN2CCCCC2)cc2c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O2 2325701730 XEKOMRFVGHGTEB-UHFFFAOYSA-N 432.347 5.783 30 10 IKEE Cc1c(OCC(=O)Nc2cccc3ccccc23)ccc2c1OC(=Cc1ccccc1)C2=O 2325707273 JZIGCZSXNUMHHP-UHFFFAOYSA-N 435.479 5.782 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2Cl)cc1OC(=O)CCOc1ccccc1 2325717103 WHPDPQSDEYVJDY-UHFFFAOYSA-N 436.891 5.619 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4cccc(Cl)c4)c3C)C2=O)cc1 2325717403 GRHATBKTPNEUNM-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE CCCCC1CCC(C(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)OCCO4)c2)CC1 2325745540 SMSBMPGHHMBEGA-UHFFFAOYSA-N 448.559 6.256 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccccc2-c2ccccc2)c1)c1ccc(F)c(F)c1 2325753655 YRKZCWXIZHPAEF-UHFFFAOYSA-N 440.445 6.747 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1OC(=O)CC(C)(C)C 2325754472 AOSVTZCRKXPQGK-UHFFFAOYSA-N 444.527 6.725 30 10 IKEE CC(C)(C)c1ccc(CSc2nncn2N=Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1 2326315553 XPAYALGGNIZUTQ-UHFFFAOYSA-N 429.933 5.312 30 10 IKEE CCOc1ccc2ccccc2c1C=Nn1c(C)nnc1SCc1cccc(Cl)c1 2326467769 TXEFWYABCLWGJN-UHFFFAOYSA-N 436.968 5.966 30 10 IKEE CCOc1ccc(OCc2nnc(SC)n2N=Cc2ccc(Cl)cc2Cl)cc1 2326629201 JYXOQQSJINLMJK-UHFFFAOYSA-N 437.352 5.167 30 10 IKEE CCn1c(C)c(C=Nn2cnnc2SCc2cccc3ccccc23)c2ccccc21 2326632927 VBFHPXKKBFNLME-UHFFFAOYSA-N 425.561 5.889 30 10 IKEE CCOc1ccccc1OCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccc[nH]1 2326797665 OGTNMXXDLRVMAD-UHFFFAOYSA-N 447.564 5.067 30 10 IKEE CCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccc(C(F)(F)F)cc1 2327540882 METOCTVOUGBCJP-UHFFFAOYSA-N 440.878 5.524 30 10 IKEE Fc1ccc(CSc2nnc(CCc3ccc(Cl)cc3)n2N=Cc2ccc[nH]2)cc1 2328025379 KTUDVXSBLHTLKJ-UHFFFAOYSA-N 439.947 5.358 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2N=Cc2ccccc2C(=O)O)CC1 2328180083 ZLPIZWLZQBIKKH-UHFFFAOYSA-N 428.602 5.825 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1c[nH]c2ccccc12 2328567076 IZTXONWOALBWKQ-UHFFFAOYSA-N 431.565 5.299 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccc(C)cc3C)n2N=Cc2cccn2C)c1 2328883683 QBRRFTCXQIVIJC-UHFFFAOYSA-N 445.592 5.295 30 10 IKEE Cc1ccccc1CSc1nnc(COCc2ccccc2)n1N=Cc1cccc(F)c1 2329309964 BWHQFZRSVALULT-UHFFFAOYSA-N 446.551 5.617 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2N=Cc2ccccc2C)c1 2329400800 BRYQDPVCLZIOFI-UHFFFAOYSA-N 440.616 6.277 30 10 IKEE Cc1ccccc1C=Nn1c(CCc2cccs2)nnc1SCc1ccccc1F 2329662912 NSHKPIUKYXULQU-UHFFFAOYSA-N 436.581 5.747 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3F)n2N=Cc2ccccc2C)c1 2329715797 QJMMGBGMLRZONX-UHFFFAOYSA-N 430.552 5.799 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2ccc(Cl)cc2)cc1 2330002444 XLEUEKWVPZTIKO-UHFFFAOYSA-N 447.007 6.048 30 10 IKEE CCc1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2[C@@H](C)c2ccccc2)cc1 2330078493 JCUFDPPOXYCSMT-IBGZPJMESA-N 444.579 6.306 30 10 IKEE Cc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccccc2C)cc1 2330172782 ANSDUWZYVMIUIS-UHFFFAOYSA-N 426.589 5.855 30 10 IKEE Cc1cccc(CSc2nnc(CC3CCCCC3)n2N=Cc2ccc(F)cc2F)c1 2330249332 VIWVKVTYIDNRFX-UHFFFAOYSA-N 440.563 6.162 30 10 IKEE Clc1ccc(C=Nn2c(SCc3ccccc3)nnc2[C@@H]2CCCO2)cc1Cl 2330959154 NPKONGNBFKEPPD-SFHVURJKSA-N 433.364 5.611 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Br)c2)cc(OC)c1OC(=O)CC(C)C 2330996138 PGKCLNFHSDZEMU-UHFFFAOYSA-N 447.325 5.314 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Br)c2)ccc1OC(=O)c1cccs1 2331008915 DAGAPRAHYMVCFL-UHFFFAOYSA-N 443.318 5.635 30 10 IKEE Cc1ccccc1C=Nn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1C1CCCC1 2331096904 FXSYRLLGFAASKH-LJQANCHMSA-N 447.608 5.096 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@H]2C[C@H]2c2ccccc2Cl)cc1)c1cccc(Cl)c1 2331117709 ABMZEQAPZNDBMK-VXKWHMMOSA-N 437.322 6.599 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OC(=O)Cc1ccccc1F 2331130004 XXEWSYROBPGNQU-UHFFFAOYSA-N 438.882 5.922 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)C(F)(F)F)c(Br)c2)cc1 2331198298 MBTPXGYIHCPFDX-UHFFFAOYSA-N 443.215 5.212 30 10 IKEE COc1ccc(C(=O)Oc2c(OC)cc(C=CC(=O)c3ccc(C)cc3C)cc2OC)cc1 2331216394 KFXKFBCWSAQNTP-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)CSc1ccccc1 2331231717 SVLWXOHGJNTATR-UHFFFAOYSA-N 446.568 6.296 30 10 IKEE O=C(Cc1ccccc1Cl)Oc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1 2331238662 JLOXFTCULAFFKG-UHFFFAOYSA-N 445.729 6.691 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] 2331273380 KIFRWIKADPTWDE-UHFFFAOYSA-N 445.471 5.346 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(OC)ccc2OC)cc(OC)c1OC(=O)c1ccco1 2331393141 RYTYWNJKHUDXET-UHFFFAOYSA-N 448.471 5.149 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 2331416736 NLJVABGUSUUKRT-UHFFFAOYSA-N 447.462 6.147 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(SCc2cccc(F)c2)nnc1C1CCC1 2331500519 RKYDDAIOOLVHJJ-UHFFFAOYSA-N 446.551 6.021 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc(OC)c1OC(=O)CC 2331552394 VDCPFQWFQQGCHE-UHFFFAOYSA-N 436.548 5.941 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)c1sccc1C 2331632305 VVKMCQGGEWIOEO-UHFFFAOYSA-N 436.529 5.806 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)c3ccccc3)cc2)c1 2331673944 JTEIWXQJXKNKGQ-FQEVSTJZSA-N 444.527 6.089 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3F)c(Cl)c2)cc1C 2331706221 NJJYSHIYBUBRPO-UHFFFAOYSA-N 426.846 6.350 30 10 IKEE CO[C@@]1(C)C[C@H]2C[C@@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2356217497 XOUSCIQRPDEWQL-SORVUCRQSA-N 435.362 5.288 30 10 IKEE CCOc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)cn1 2363096430 UAIRTIDJOJOWMF-KRWDZBQOSA-N 432.318 5.249 30 10 IKEE CCOc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)c1 21229572 KZAGTFYBDPEUAG-XRHLQHRESA-N 444.962 6.718 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1 33368029 MDHFDZWHPWSKMH-UCQKPKSFSA-N 443.455 5.728 30 10 IKEE C=CCOc1ccc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1OCC 34869225 DYYFOROXQUWCDA-ODLFYWEKSA-N 449.956 5.848 30 10 IKEE COc1cc(OC)cc(-c2nnc(SCc3ccccc3C#N)n2-c2ccccc2C)c1 35847706 ZROKFJAWMNLGNM-UHFFFAOYSA-N 442.544 5.424 30 10 IKEE C=CCOc1ccc([C@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCCC)cc1OC 38594316 FMSFOTWGCRDICM-DEOSSOPVSA-N 447.531 5.329 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(C)cc2)S/C1=N/c1ccccn1 39862513 MCEKNNLWAKZNKN-GBPBPLIESA-N 441.556 5.759 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OCc4cccc(F)c4)ccc3C2=O)c2cc(OC)ccc21 41510017 ODJIGUJPGVLALU-ZRGSRPPYSA-N 443.474 6.004 30 10 IKEE C#CCOc1ccc(Br)cc1CNc1ccc(Br)cc1Cl 41641782 JVORUVZBQLQFNR-UHFFFAOYSA-N 429.539 5.489 30 10 IKEE Cc1ccc(C(=O)/N=C(/NCc2ccccn2)Nc2cccc(C(F)(F)F)c2)cc1C 46126865 QLNZBHMPEDURBU-UHFFFAOYSA-N 426.442 5.115 30 10 IKEE Cc1ccc(CSc2nc3ccc(/N=C/c4c(Cl)cccc4Cl)cc3s2)cc1 59517230 MVGXJAONUZOLEJ-BRJLIKDPSA-N 443.424 7.954 30 10 IKEE C=CCn1c(SCCC(=O)Nc2ccc(Cl)cc2)nnc1-c1cccc(Cl)c1 59794801 CMHFUJPCDWGAOH-UHFFFAOYSA-N 433.364 5.559 30 10 IKEE CCOc1ccc2[nH]c(S[C@H](C(=O)Nc3ccc(C#N)cc3)c3ccccc3)nc2c1 59842437 OEFUMNCMSHHCNL-QFIPXVFZSA-N 428.517 5.305 30 10 IKEE C=CCn1nc(SCC(=O)c2ccc(Cl)cc2)nc1-c1ccc(Br)cc1 72261448 GYAYOVZLQFCUJA-UHFFFAOYSA-N 448.773 5.522 30 10 IKEE CCCc1ccc(C(=O)/C=C\c2ccc(OC)c(COc3cccc4cccnc34)c2)s1 96576942 ZIOAYFAMYBHUHZ-RAXLEYEMSA-N 443.568 6.733 30 10 IKEE CCCCCCCCCCCCCCCCNCc1cccc(OCCCCCC)c1 100125267 ZYXIBEWIEAXLDZ-UHFFFAOYSA-N 431.749 9.217 30 10 IKEE C=CCOc1ccccc1/C=C1\S/C(=N/c2nc(-c3ccccc3)cs2)N(C)C1=O 101129961 OYVSEQOSWGYODU-QJYUKRAPSA-N 433.558 5.609 30 10 IKEE COc1cccc(/C=N\n2c(C)nnc2SCc2ccc(Cl)cc2Cl)c1OC 138203005 JKICPTZEWPNGFX-YVNNLAQVSA-N 437.352 5.085 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(OCc3ccccc3)cc2)NC(=S)N1C 169934742 NLBTYKWOSAMHIZ-DEOSSOPVSA-N 428.557 5.284 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccc(O)cc2)c1 169958954 DKTLCDBQANIOAF-QHCPKHFHSA-N 431.463 5.239 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2OC)[C@H]1c1cccc(C)c1 169970574 FLYQYBBBKUIGRU-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2cccc(C)c2)c1 169972805 WEDMIMLXJGUEKK-RUZDIDTESA-N 441.527 5.399 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(C)cc2)c1 170036890 SUDAEVSUCADAQI-DEOSSOPVSA-N 427.500 5.485 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2ccccc2)c(C)c1 170051826 NWRRPYIVMKJFHC-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2ccccc2)cc1C 170052061 KXQBLDLWSRTZEC-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(F)cc2)cc1 170061612 PDEPFQCBVMZZLB-XMMPIXPASA-N 445.490 5.488 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)[C@H]2c2ccco2)c(C)c1 170094864 FIWKCACPLXURAR-QHCPKHFHSA-N 447.487 5.167 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2cccs2)c1 170153841 RPPJITBRPBLKRR-HSZRJFAPSA-N 445.540 5.418 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2cccs2)c1 170153887 DBMFDROYYRTEDZ-QHCPKHFHSA-N 441.508 5.693 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2cccs2)cc1 170160785 UGYOLBNNOCQTBL-JOCHJYFZSA-N 433.529 5.547 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2cccnc2)cc1 170187461 WCUXAXYVNBZSDI-DEOSSOPVSA-N 442.515 5.270 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccncc2)cc1Cl 170200364 UEULZZPFTWXKIB-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2)c1 170223336 KCHMPHFRODIDIW-DEOSSOPVSA-N 445.490 5.643 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2ccccc2)c1 170227499 SNPLUCGYIRWEOZ-JOCHJYFZSA-N 449.890 5.140 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1ccccc1)c1c[nH]c2ccccc12 170229360 JIAUXTJWPSSAGW-QFIPXVFZSA-N 430.410 5.229 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1F 170253245 OZKILFANOOKKSD-LJQANCHMSA-N 436.310 5.901 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cccc(O)c1)c1ccc(Cl)c(Cl)c1 170264315 BDTOXQQBHPODIU-LJQANCHMSA-N 432.303 5.220 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1Cc1cccs1 170269755 KFNJUVNJEZDTQN-JOCHJYFZSA-N 428.513 5.316 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2C)cc1C(C)C 170278393 QWXQVDPIYDQDII-XMMPIXPASA-N 433.548 5.648 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccco2)cc1 170287594 JNLBZJWSXQKLBJ-LJQANCHMSA-N 438.277 5.133 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccco2)cc1Cl 170289362 DNTLICBRUNDTJL-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccc(C)o2)c1 170305571 ACOSVBQMHVTLPY-NRFANRHFSA-N 437.879 5.341 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1Cc1ccncc1 170317293 OCQYVRLETJTNGM-QFIPXVFZSA-N 440.524 5.383 30 10 IKEE C=CCOc1cccc([C@H]2C(C(=O)c3cc(C)c(OC)cc3C)=C(O)C(=O)N2CCCC)c1 170324209 YFXIFSDFGFWBDL-DEOSSOPVSA-N 449.547 5.255 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2c[nH]c3ccccc23)cc1Cl 170384470 MKKKTQIOVPYOMN-JOCHJYFZSA-N 443.890 5.308 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(Oc3ccccc3)cc2)c1 170461058 COJWODVHKYJLSJ-AREMUKBSSA-N 441.527 6.303 30 10 IKEE CCCC[C@H](CC)COC(=O)Nc1c(C#N)cnn1-c1cc(C)c2cccc(OC)c2n1 170509572 PAODJWLQIGKNFE-KRWDZBQOSA-N 435.528 5.374 30 10 IKEE Cc1ccc(N=C2S/C(=C\c3ccc4c(c3)OCO4)C(=O)N2c2ccc(C)cc2)cc1 252625172 QEPHNXKTLMAJFR-WPCCGSCNSA-N 428.513 5.841 30 10 IKEE C=C(C)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@H]4[C@]5(C)CC[C@H](O)[C@@](C)(CO)[C@H]5CC[C@@]43C)[C@H]12 253591494 RFCPTXGFYWKJJB-YDAHKPBUSA-N 442.728 6.997 30 10 IKEE C(=Nc1ccccc1)C1=C(N(c2ccccc2)c2ccccc2)/C(=C\Nc2ccccc2)CC1 254347876 GXBQJYINGLJJDR-ONNOBDMYSA-N 441.578 8.271 30 10 IKEE C[C@]12CCCC[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)C(=NN=Cc3ccccc3C(F)(F)F)CC[C@H]12 254402551 FHIHDASURXFVSB-TYDPLJNTSA-N 444.585 7.913 30 10 IKEE Cc1cccc(C)c1NC(=S)NN=C1C[C@@H]([C@H](C)c2cccnc2)Oc2ccc(O)cc21 254439039 KHZHNLYHGABBRR-HXOBKFHXSA-N 446.576 5.050 30 10 IKEE COc1ccc(-c2cc(-c3ccccc3)nc(NN=C(C)c3ccc(F)cc3)n2)cc1OC 254722073 WQBGOOKUMVWBAA-UHFFFAOYSA-N 442.494 5.803 30 10 IKEE Cc1ccc(S(=O)(=O)O[C@H]2CC[C@@H]3[C@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)cc1 256762910 LQBTZXLGHXAZEI-CXYTZJNRSA-N 442.621 5.601 30 10 IKEE CCOc1cc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccc(C)c2)ccc1OC 526603688 GWZCEICYWMNOLB-RUZDIDTESA-N 440.499 5.331 30 10 IKEE C=C(C)CN(c1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586252430 KKMPCXGWUMUILK-UHFFFAOYSA-N 426.626 5.746 30 10 IKEE Cc1cc(Cl)ccc1N(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(Cl)cc1 586259388 BEPNEINQNSFCJT-UHFFFAOYSA-N 431.344 5.569 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1cc(F)cc(Cl)c1 698460087 XXBUJANWCCHIJX-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@@H](C#N)c1ccc(F)c(Br)c1 698849403 CKEVJUAFWCGTJV-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@@]1(C#N)CCc2c(Br)cccc21 698891565 ZTRFQUCWDYISCG-OAQYLSRUSA-N 431.305 5.695 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2ccc(F)cc2Br)cc1 698954806 CLXLVHDVKUYXPR-SFHVURJKSA-N 435.293 5.603 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 699658887 LBANDZILHBDERD-OSPHWJPCSA-N 447.551 5.497 30 10 IKEE Cc1ccc(N=Cc2cccc(OCc3ccccc3)c2)cc1I 1084158503 GAZDWDZYLGCLNN-UHFFFAOYSA-N 427.285 5.929 30 10 IKEE CCn1cc(C=Nc2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c2ccccc21 1084491031 XDMUTRXHVNMUHE-UHFFFAOYSA-N 433.621 6.415 30 10 IKEE COC(=O)c1c(N=Cc2ccc(Cl)c([N+](=O)[O-])c2)sc(Cc2ccccc2)c1C 1084536939 NMRYIYFCXRGZAO-UHFFFAOYSA-N 428.897 5.746 30 10 IKEE COC(=O)c1ccc(O)c(N/C(=N/Cc2cccc(C(F)(F)F)c2)N2CCCC[C@@H]2C)c1 1088664723 IMTKIEWNHNLKLF-HNNXBMFYSA-N 449.473 5.040 30 10 IKEE Clc1ccc([C@H]2[CH]S/C(=N/c3cc(Cl)ccc3Cl)N2c2ccccc2)cc1 1616119524 SCSVFSOFCFWWGP-YXQDFNCHSA-N 432.783 7.791 30 10 IKEE COc1ccc(C(=O)ON=C2C[C@@]3(C(=O)Nc4cccc(C)c4)CC[C@@]2(C)C3(C)C)cc1 1772722853 YLMBQURGNHMJHK-CLJLJLNGSA-N 434.536 5.372 30 10 IKEE N#Cc1cccc(Cn2c(-c3ccc(Cl)cc3)nc3scc(-c4ccco4)c3c2=O)c1 1857803336 MSDUWKJWACSMMA-UHFFFAOYSA-N 443.915 5.958 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)c1cc2ccccc2n1C 1861393607 YLSGMWZITBTDFE-OAQYLSRUSA-N 445.673 5.287 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccccc1Cl 1862381247 VTGNLIRSCNXDNB-BBATYDOGSA-N 438.738 6.024 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2cccc(C)c2)cc1 1862390287 ZNZSNHVPZONXKH-SANMLTNESA-N 445.603 6.639 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 1862393610 ZDUFRXZWRQANRC-OPAMFIHVSA-N 436.508 5.314 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2cccc(C)c2)c1 1862413489 FAFWBTAXXMNCMK-QHCPKHFHSA-N 449.453 5.060 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2cccc(Cl)c2)cc1 1862476828 PEICIXOFMANKJD-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2Cl)c1 1862490826 DZNKOLPRDXFIAU-JOCHJYFZSA-N 432.907 5.130 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(F)cc1F)c1ccc2c(c1)CCCC2 1862545667 FZRAMHPJWSNYAP-QHCPKHFHSA-N 449.453 5.215 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(C)c1 1862580423 JMDDOLPXTGPQHP-OAQYLSRUSA-N 446.374 6.460 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862596632 GASUWXCPQISPOE-FQEVSTJZSA-N 448.346 5.858 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1c(Cl)cccc1Cl)c1cccc(O)c1 1862597098 IUMOACSMUNGPKP-IBGZPJMESA-N 432.303 5.220 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(C(C)(C)C)cc2)=C(O)C(=O)N1Cc1ccccn1 1862614110 YCKUEHFGZRZRCF-DEOSSOPVSA-N 440.543 5.466 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc(F)c1 1862650254 RFNIADFOIBERCU-WQWSHVPRSA-N 443.518 6.136 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2cccs2)cc1 1862663403 QZRXEMBSOZZOMN-XMMPIXPASA-N 445.584 6.212 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CCCCC2)cc1O 1862665521 JERYFFMQBYIKAN-XMMPIXPASA-N 449.547 5.435 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862695279 CRHVBJRJLYIRDS-UZUQRXQVSA-N 437.536 5.251 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1Cc1ccccc1 1862713911 ZQGJXPRKXNLAKH-SANMLTNESA-N 433.507 5.927 30 10 IKEE C=CCN1C(=O)C(Nc2cccc(N(CCC)CCC)c2)=C(c2ccc(F)c(C)c2)C1=O 1863466214 FFDVHVRZESLJRM-UHFFFAOYSA-N 435.543 5.139 30 10 IKEE C=CCOc1ccccc1OCC(=O)N1CCc2ccc(C(C)C)cc2[C@@H]1c1ccccc1 1868119561 UPFCRWBVTZAIKK-LJAQVGFWSA-N 441.571 5.928 30 10 IKEE C=CCOc1cn(CCC2=CCCCC2)c(CSCc2nc3ccccc3[nH]2)cc1=O 1870246066 PYEYONAOXMEPGU-UHFFFAOYSA-N 435.593 5.613 30 10 IKEE CCCCCCCCCCn1cc(OC)c(=O)cc1CNc1ccc(OC)c([N+](=O)[O-])c1 1871000423 SWRPBELCHJJAAA-UHFFFAOYSA-N 445.560 5.527 30 10 IKEE CC(C)CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1cccc(N(C)C)c1 1871254901 KKMHLBASVJHTEQ-UHFFFAOYSA-N 444.579 5.023 30 10 IKEE Cc1c(OC(=O)c2ccc(Cl)c(Cl)c2)ccc2c1O/C(=C\c1ccccc1)C2=O 1871372473 TWMBCJLVTARQHD-JAIQZWGSSA-N 425.267 6.137 30 10 IKEE COc1ccccc1/C=C1\Oc2c(ccc(OC(=O)c3cccc([N+](=O)[O-])c3C)c2C)C1=O 1871373763 SFSPSUBXRPNJJM-XKZIYDEJSA-N 445.427 5.056 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)c4cccc(OCC)c4)cc(C)c3C2=O)cc1 1871387217 KJGMJLWPFJHNDA-OYKKKHCWSA-N 444.483 5.628 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc(OC(=O)c3cccc(OC(C)C)c3)c2C)C1=O 1871388258 LVWRCOYPMHDMJC-BKUYFWCQSA-N 434.513 5.988 30 10 IKEE CCCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(C)c2)C3=O)c1 1871391296 RXEAAGXYABODFL-OYKKKHCWSA-N 442.467 5.536 30 10 IKEE Cc1cccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)c1C 1871413518 INHMCECNBVPHNQ-WTZXFZKGSA-N 445.490 5.773 30 10 IKEE Cc1c(OCC(=O)N[C@H](C)c2ccccc2)ccc2c1O/C(=C\c1ccccc1F)C2=O 1871424529 MKSGCPSWRIESPG-NQRZERFFSA-N 431.463 5.007 30 10 IKEE N#C[C@@H](C(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc3ccccc3c2)cs1 1872760263 KWZXJNJYTUVRSO-MAIVGLDJSA-N 425.469 5.761 30 10 IKEE COc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1OC 1872765431 OSDWTDRTPNDRRT-HNNXBMFYSA-N 443.322 5.080 30 10 IKEE N#C[C@H](C(=O)/C=C/c1ccc(OCc2ccccc2)cc1)c1nc(-c2cccs2)cs1 1872774348 OLFSHJYVECENGS-QYFOZDBKSA-N 442.565 6.340 30 10 IKEE CC(C)c1ccc(-c2csc([C@H](C#N)C(=O)/C=C\c3ccc4c(c3)OCCO4)n2)cc1 1872776416 PHKHHRAQSYFUOO-KCGXFEIVSA-N 430.529 5.594 30 10 IKEE NC1=C(c2nc3c(s2)CCc2ccccc2-3)C(=O)CN1c1ccc(Cc2ccccc2)cc1 1872795865 AYKJMWXBRKDRGO-UHFFFAOYSA-N 449.579 5.216 30 10 IKEE C=CCN1C(=O)C(NCCCCCCCCCC)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873085843 JHHNGSXGHWTYTE-UHFFFAOYSA-N 444.619 6.350 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(F)cc2)C(=O)N([C@@H]2CCCC[C@H]2C)C1=O 1873137697 KPEORQXFNMTKRI-NFBKMPQASA-N 442.619 6.215 30 10 IKEE CCCCCCN1C(=O)C(Nc2cccc(C#N)c2)=C(c2c(Cl)cccc2Cl)C1=O 1873290848 DIZZJBWPCNFJGH-UHFFFAOYSA-N 442.346 5.637 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(N(C)C)cc2)=C(c2ccccc2C)C1=O 1873305870 ZOIOGLVILWULRD-UHFFFAOYSA-N 433.596 5.614 30 10 IKEE CCCCCCCCNC(=O)[C@@H]1c2ccccc2C(=O)N(Cc2ccco2)C12CCCC2 1873886071 GAVRVCSQEKPKDR-DEOSSOPVSA-N 436.596 5.809 30 10 IKEE Clc1ccccc1OCc1nnc(SCCc2ccccc2)n1/N=C/c1ccncc1 1874267559 DJNVNCRLTSSZIZ-WGOQTCKBSA-N 449.967 5.123 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccccn1 1874269088 VKGUIAXEEZRJAI-RDRPBHBLSA-N 449.583 5.900 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1cccc(O)c1 1874361373 QSMYSFYVCRGXKT-JVWAILMASA-N 446.551 5.391 30 10 IKEE C=C(C)CSc1nnc(CCc2cccs2)n1/N=C/c1ccc(OCC)c(OC)c1 1874371668 LBPJAAIVYASNKM-OEAKJJBVSA-N 442.610 5.083 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccccc2C)cc1 1874388005 PSLSUOVNIRGWFC-JVWAILMASA-N 430.552 5.799 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2cccs2)n1/N=C/c1ccc(F)cc1F 1874410979 QCJYJAQOLUEBLW-DHRITJCHSA-N 440.544 5.692 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2ccccc2OC(C)C)cc1 1874425416 IAUHEECZMDYLIY-WPWMEQJKSA-N 442.588 6.215 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(SCc2ccc(F)cc2)nnc1[C@@H]1CCCO1 1874442887 NBVVPIFTJNTOEK-NFCNUSAFSA-N 440.544 5.230 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2[C@H]2CCCO2)cc1 1874449444 BXKPBSOLSFOYDT-QVHMZZSFSA-N 447.391 5.919 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C(F)(F)F)cc1 1874462380 PZBLWGMTACTRIQ-BRJLIKDPSA-N 428.439 5.330 30 10 IKEE Oc1ccccc1/C=N/n1c(SCc2ccc(Cl)c(Cl)c2)nnc1C(F)(F)F 1874462763 FDFFCWNDYMSCCC-LIMNOBDPSA-N 447.269 5.484 30 10 IKEE Oc1ccccc1/C=N/n1c(SCc2cccc3ccccc23)nnc1-c1ccco1 1874468101 RFKCIBSTYSHART-MFKUBSTISA-N 426.501 5.571 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1ccc(C(=O)OC)cc1 1874476544 QEJAVOMTCAIEKG-MFKUBSTISA-N 436.581 5.199 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1cc(C)ccc1O 1874479131 KHYWUUBTISKMFJ-WGOQTCKBSA-N 430.577 5.962 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2sccc2C)cc1C 1874483440 WNCACIJPMHKDJX-FSJBWODESA-N 441.626 5.175 30 10 IKEE COc1cc(/C=N/n2c(CC(C)C)nnc2SCc2cccc(C)c2)cc(Cl)c1O 1874489605 ZOASQKBJSJGVHP-WYMPLXKRSA-N 444.988 5.327 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCc2cc(C)ccc2C)c1 1874572223 BWNVBWFYYWUGDJ-ZHACJKMWSA-N 436.935 6.449 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCc3ccccc3F)ccc3ccccc23)cc1C 1874573864 JABGSFHDPNZCMI-BUHFOSPRSA-N 426.487 6.771 30 10 IKEE Cc1ccccc1NC(=O)COc1ccccc1/C=C/C(=O)c1c(C)c(C)cc(C)c1C 1874586744 CHHICHQCNHDUEJ-CCEZHUSRSA-N 427.544 6.142 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)c(C)c1 1874589091 SLHDBPLDXLQAPF-PKNBQFBNSA-N 425.355 7.394 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc1OCC(=O)OCC(C)C 1874600258 CGCVIURXHJTVTC-SOFGYWHQSA-N 446.927 5.140 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1OC 1874602769 DDDYSNKYJUFOMB-XYOKQWHBSA-N 443.326 6.486 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(Br)c2)cc(OC)c1OCC(=C)C 1874610820 NEQJUKWUBATFFO-ZHACJKMWSA-N 427.338 6.037 30 10 IKEE CCCCCCCOc1ccc(C(=O)CCN2CCN(c3ccc(F)cc3)CC2)cc1 1874690480 UYIVMFHUQXIXKN-UHFFFAOYSA-N 426.576 5.570 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)COc3ccc(C)cc3C)c2)cc1 1874694078 KIMWESUYYPKBOC-UKTHLTGXSA-N 444.527 5.755 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OC(=O)c1ccccc1[N+](=O)[O-] 1874703433 PQQKRRJOUUGXLG-ZRDIBKRKSA-N 431.444 5.336 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc(C(C)C)cc3)ccc2OC)c1 1874708234 SXDQBBKKRRNCLC-OQLLNIDSSA-N 444.527 6.333 30 10 IKEE O=C(CCCOc1ccc(Cl)cc1)Oc1cccc(/C=C/C(=O)c2ccc(F)cc2)c1 1874708645 NNCZVYXHRPRAKR-GIDUJCDVSA-N 438.882 6.140 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(N(C)C)cc3)c(Cl)c2)c1 1875102897 RYPJZURTMVLQJB-NTUHNPAUSA-N 435.907 5.530 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(Cl)c1OC(=O)C(F)(F)F 1875112699 GPMPCAZTDGGVKQ-RUDMXATFSA-N 428.790 5.111 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OC(=O)CCc1ccccc1C 1875115150 OZMIBQUZORQYEM-CXUHLZMHSA-N 444.527 5.837 30 10 IKEE O=C(Cc1ccc(Cl)cc1)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1 1875146773 ILBDTZQXZKVIKH-VZUCSPMQSA-N 434.875 5.155 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)ccc1OC(=O)[C@H](C)c1ccccc1 1875152044 KCHGIQXRCXTBSF-LVMGUKCRSA-N 448.490 5.838 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]12CCCN(C(=O)OC(C)(C)C)C[C@H]1C2 1922108347 SWGPOFXYJGSMIO-UMFSSWHCSA-N 428.617 5.165 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CCC[C@@H]2C[C@@H]21 1949680985 QMWAXFCRISIQMR-VUMQFKOGSA-N 428.617 5.211 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1[C@](C#N)(N(C(=O)OC(C)(C)C)c1cccc(Cl)c1)C2 1950072211 MZEOOHPCSHSDQR-HOSQHVHZSA-N 447.963 5.373 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)NCCC 2005212875 LXTMNGLOHHBWFQ-PKTZIBPZSA-N 430.633 5.411 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@](C)(CC(F)(F)F)NC(=O)OC(C)(C)C 2006524886 XRKZIAKNLFUSCU-KNQAVFIVSA-N 444.538 5.363 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1c(Cl)cccc1Cl)c1ccco1 2033814362 RBCPRDLQOOQSMA-KRWDZBQOSA-N 434.300 5.426 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)CCC1(C)C 2038519135 JXBWRWLBPXAWNM-XMMPIXPASA-N 447.551 5.639 30 10 IKEE CN[C@H](CC#CC(C)(C)C)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071252847 UZWCIZHFXPIPHA-AREMUKBSSA-N 427.588 6.545 30 10 IKEE C=C(CC)C[C@H](NC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071352934 COCQIYVSMUMQQI-LBNVMWSVSA-N 431.576 5.822 30 10 IKEE CC(C)(C)OC(=O)c1nn(-c2c(F)c(F)c(F)c(F)c2F)c(C(F)(F)F)c1Cl 2079180796 BIXZHWNIEVJLSL-UHFFFAOYSA-N 436.686 5.195 30 10 IKEE Cc1ccc([C@@H](C(C)C)n2nc(C(F)(F)F)c(C=NO)c2Br)c(F)c1F 2079954185 IXTKAEKFCUVBGY-CYBMUJFWSA-N 440.210 5.305 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cccc(Br)c1Cl 2081383802 QRPXQTUAJDPQIP-WBVHZDCISA-N 429.786 5.060 30 10 IKEE C=C(COCCC)[C@@H](NCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134727918 MWESVNDFTAMSIU-GDLZYMKVSA-N 445.603 6.478 30 10 IKEE C=CCCCCCC[C@H](NC)c1cc(I)ccc1Br 2141907869 IWRJYLCNUNSGCZ-INIZCTEOSA-N 436.175 5.841 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)C1(C#N)CC(C2CCOCC2)C1 2151220815 AGVQYGGEYSWWPW-UHFFFAOYSA-N 435.362 5.290 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@](C)(C#N)C1CCC(F)(F)CC1 2158480897 YJIKYDIZZFGGHU-LJQANCHMSA-N 443.332 6.298 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)cc(Br)cc1F 2159120553 IUHDRTZKIRKLKO-WMZOPIPTSA-N 445.348 5.075 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNc2cc(Br)cc(F)c2C#N)CC1 2163695893 FAVXZGIGYNFHPO-HDJSIYSDSA-N 440.357 5.203 30 10 IKEE COc1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2C)ccc1Br 2192138631 BVBWBDHOVCPFER-GOSISDBHSA-N 431.330 5.773 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1cnc(C2CCC2)[nH]1 2197504431 UUHGWXONXSNQBN-QGZVFWFLSA-N 431.334 5.446 30 10 IKEE CCOc1ncc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)s1 2231288165 ALKXKQVQPLVKDL-AWEZNQCLSA-N 438.347 5.311 30 10 IKEE C=C(COCc1ccccc1)[C@]1(OCCCN)CCC(F)(F)C[C@@H]1OCc1ccccc1 2262618295 GOUYTGNEPSMWNJ-AZGAKELHSA-N 445.550 5.268 30 10 IKEE C=CC[C@@]1(COc2ccc(N)cc2Br)CCCCN1C(=O)OC(C)(C)C 2272094078 YMNXWHNOHXRSRG-FQEVSTJZSA-N 425.367 5.146 30 10 IKEE C=CC[C@]1(COc2cc(C)cc(Br)n2)CCCN(C(=O)OC(C)(C)C)C1 2272097296 YPQCRAKJVRFMGS-FQEVSTJZSA-N 425.367 5.125 30 10 IKEE CC1(C)OB(c2ccnc(Nc3cc(Cl)c(Br)cc3Cl)c2)OC1(C)C 2277986477 YDLMLCZHZBLMDL-UHFFFAOYSA-N 443.965 5.194 30 10 IKEE N[C@H](C#Cc1cccc(Br)c1)c1cc(Br)cc(Br)c1 2278792438 ARANHQHOMAZMOJ-OAHLLOKOSA-N 443.964 5.026 30 10 IKEE CCN1C(=O)C(=C2Sc3ccc(Cl)cc3N2CC)SC1=N[C@@H](C)c1ccccc1 2295201920 RAKNCXLTUBNDOR-AWEZNQCLSA-N 444.025 6.154 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)CCC[C@H](CC)NC(=O)OC(C)(C)C 2296293206 GZKKQPMQVPKGDU-VQTJNVASSA-N 437.422 5.252 30 10 IKEE Cc1ccc(CN2c3ccsc3C(=O)C(=CNc3cccc(Cl)c3)S2(=O)=O)cc1 2296957060 DMUHXMDTHMGMTA-UHFFFAOYSA-N 444.965 5.196 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1[C@H](C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 2302804146 UBAVPGQLGFGAIH-OTWHNJEPSA-N 449.617 5.461 30 10 IKEE O=C(C=Cc1ccccc1OC(=O)c1ccc(F)cc1)c1ccc(Br)cc1 2314430148 XKALSOKOFWQGNM-UHFFFAOYSA-N 425.253 5.704 30 10 IKEE Cc1ccc(N=C2NC(=O)SC2=Cc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 2314480499 AUZWCGFZVLFEDS-UHFFFAOYSA-N 436.540 6.375 30 10 IKEE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2Oc3ccc(C)cc3C2=O)cc1 2314519133 AFFWYDQGHHENCU-UHFFFAOYSA-N 434.495 6.029 30 10 IKEE CCN1C(=O)C(=Cc2ccc(-c3cccc(Cl)c3)o2)SC1=Nc1nc(C)cs1 2314544342 ZCPZATPOACRPEI-UHFFFAOYSA-N 429.954 5.989 30 10 IKEE COc1ccc(C(C)=C2SC(=Nc3cccc(C(=O)O)c3)N(c3ccccc3)C2=O)cc1 2314547417 HFEKKWJNCVAUMB-UHFFFAOYSA-N 444.512 5.592 30 10 IKEE Cc1nnc(N=C2SC(=Cc3ccc(C(C)C)cc3)C(=O)N2C2CCCCC2)s1 2314548062 OYDTZXIKFVBEFM-UHFFFAOYSA-N 426.611 5.907 30 10 IKEE CC(C)c1ccc(C=C2Oc3c(ccc4c3CN(CCOc3ccccc3)CO4)C2=O)cc1 2322038007 DNVXMFWSWKURLE-UHFFFAOYSA-N 441.527 5.657 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1OC 2322350189 SZORKINEJDJCMR-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE CCc1ccc(C(=O)C=Cc2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1 2322353559 FVJFAYGIBUUSLM-UHFFFAOYSA-N 426.943 7.531 30 10 IKEE COc1cccc(C=CC(=O)c2ccccc2Cl)c1OCc1cccc2ccccc12 2322437075 BOEUZOIXMKUYNX-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE O=C(C=Cc1c(OCc2cccc(Cl)c2)ccc2ccccc12)c1ccc(F)cc1F 2322492667 IBYHFZIKNRPAGJ-UHFFFAOYSA-N 434.869 7.247 30 10 IKEE CCOc1cc(C=NNc2ccc(C)cc2)ccc1OCc1c(Cl)cccc1Cl 2322926766 CFSQXWUFSAZNCA-UHFFFAOYSA-N 429.347 6.726 30 10 IKEE COc1cccc(C=CC(=O)c2c(C)cc(C)cc2C)c1OCC(=O)NCc1ccccc1 2322952754 UIMQLWHSXNQINH-UHFFFAOYSA-N 443.543 5.212 30 10 IKEE Cc1cc(OC(=O)Cc2ccc(F)cc2)cc2c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O2 2323229843 BPVJKCXURHRPOG-UHFFFAOYSA-N 444.502 6.196 30 10 IKEE CCOc1c(Cl)cc(C=NNc2cnn(-c3ccccc3)c(=O)c2Cl)cc1Cl 2323230225 ZNYZFWXFEAVLEM-UHFFFAOYSA-N 437.714 5.037 30 10 IKEE COc1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1 2323424230 HAODFWLBGZVSPL-UHFFFAOYSA-N 438.479 5.795 30 10 IKEE CC(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1 2323502018 KWCFEGVXQZEKNE-UHFFFAOYSA-N 428.459 6.184 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2)c(Cl)c1)c1cccc(Br)c1 2323652927 RQXZEHGUXNRZJS-UHFFFAOYSA-N 427.725 6.578 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)ccc1OCC(=O)Nc1ccccc1F 2323716929 NIYCVVAVQKYARD-UHFFFAOYSA-N 449.478 5.147 30 10 IKEE CCCCC(=O)Oc1cc(C)c2c(c1)OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O 2323743658 OLSLTORMPGMPOF-UHFFFAOYSA-N 428.868 5.227 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCc3ccc(C)cc3)cc2)cc1OCCC 2323744125 ZTTNHQFYFKBTPX-UHFFFAOYSA-N 444.571 7.048 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 2323921365 PWRKFWOFGBJKAP-UHFFFAOYSA-N 441.354 7.257 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2)o1 2324055325 UMEGEGFKVHXKKJ-UHFFFAOYSA-N 432.516 6.229 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OCC(=O)OC 2324067058 YAXGBGONMKKXNN-UHFFFAOYSA-N 430.928 5.484 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4Cl)cc(C)c3C2=O)o1 2324397573 XSZVRZQUXQZOHY-HNNXBMFYSA-N 437.879 5.572 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(C(=O)OC)cc3)n2)cc1 2324405669 JHIRZWIDAWOBOP-JOCHJYFZSA-N 444.556 5.829 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccc(C)cc4C)c3C)C2=O)c1 2324495314 XVVWJAJIWOBPME-FQEVSTJZSA-N 441.527 5.942 30 10 IKEE N#C[C@@H](C(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2324537122 DDICUFVBDYUOAE-HNNXBMFYSA-N 444.299 5.915 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OCc3cccc(Cl)c3)c(Cl)c2)c(C)c1 2324545878 WCQQFUYDKYZBDE-UHFFFAOYSA-N 425.355 7.394 30 10 IKEE COc1ccc(C=C2Oc3cc(OCCCOc4cccc(C)c4)ccc3C2=O)cc1OC 2324561608 ALWZTYTWBDLKEO-UHFFFAOYSA-N 446.499 5.476 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3cccc(Cl)c3)cc2)c(OC)c1OC 2324718624 GYWSROCYTVBVFX-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE COc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccc(C)cc2)cc1O 2325471095 IXAIQDUIZAQHRM-UHFFFAOYSA-N 444.560 5.066 30 10 IKEE CCCCOc1ccc(C=Nn2c(CC)nnc2SCc2ccccc2)cc1OCC 2325590306 QHVFRHIGZPJGCK-UHFFFAOYSA-N 438.597 5.593 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1OC(=O)c1ccc(F)cc1 2325700909 BXBYZHWHEZSFLA-UHFFFAOYSA-N 430.475 5.828 30 10 IKEE CCCCC(=O)Oc1cc(C=CC(=O)c2ccc(CC)cc2)c(Br)cc1OC 2325705285 IHQGNSDQDHYPPH-UHFFFAOYSA-N 445.353 6.012 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccc(F)cc3)c2)cc1C 2325712866 DRQRZYXJSIUQPY-UHFFFAOYSA-N 434.463 5.196 30 10 IKEE Cc1nc2ccc(C(=O)Oc3cccc(C=CC(=O)c4ccc(Cl)cc4)c3)cc2nc1C 2325730556 JZKRCUBKYQOABY-UHFFFAOYSA-N 442.902 6.015 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)c3sccc3C)c2)cc1C(C)C 2325754043 PFGPTVBZFYMCPN-UHFFFAOYSA-N 434.557 6.612 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(F)cc3)c2)c(OCC)c1 2325762652 MVNXBDBUGVBAST-UHFFFAOYSA-N 448.490 5.667 30 10 IKEE CCCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccccn1 2325812663 SXZCGAFJWKNKIC-UHFFFAOYSA-N 444.004 5.339 30 10 IKEE CSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1cccc(Cl)c1 2325902055 YPAFIQJFALBYNA-UHFFFAOYSA-N 428.989 5.721 30 10 IKEE CCCCCOc1ccc(C=Nn2c(CC)nnc2SCc2ccc(C)cc2C)cc1 2326442716 VFQWQOASWMREOT-UHFFFAOYSA-N 436.625 6.201 30 10 IKEE CCc1nnc(SCc2ccccc2Cl)n1N=Cc1c(OC)ccc2ccccc12 2326545999 PUXTWPBHTGWEEK-UHFFFAOYSA-N 436.968 5.830 30 10 IKEE C=CCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc(N(C)C)cc1 2326608186 WNOAGUATJKZUAP-UHFFFAOYSA-N 441.604 5.443 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1N=Cc1c(O)ccc2ccccc12 2326736129 NFQQZLJWPQVBAX-UHFFFAOYSA-N 434.540 5.793 30 10 IKEE CCCc1ccc(OCc2nnc(SCC)n2N=Cc2ccc(C(C)(C)C)cc2)cc1 2327352026 YWRSXWVTEXPBRM-UHFFFAOYSA-N 436.625 6.101 30 10 IKEE CCSc1nnc(COc2cc(F)ccc2F)n1N=Cc1ccc(Cl)cc1Cl 2327458026 VXFGGXUSPLLGSV-UHFFFAOYSA-N 443.306 5.436 30 10 IKEE Fc1ccc(F)c(OCc2nnc(SCc3ccccc3)n2N=Cc2ccccc2)c1 2327463905 CSUJJWORYYENAW-UHFFFAOYSA-N 436.487 5.310 30 10 IKEE COc1cccc(CCc2nnc(SCc3cc(C)ccc3C)n2N=Cc2ccco2)c1 2328641190 WYRUUNNHLMUUOW-UHFFFAOYSA-N 446.576 5.456 30 10 IKEE CCCCCOc1ccc(C=NNc2ncnc3c2[nH]c2cc(OC)c(OC)cc23)cc1 2328835893 PKVFUJMGAPEWCI-UHFFFAOYSA-N 433.512 5.143 30 10 IKEE C=CCSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1cccc2ccccc12 2328961753 VQAUNPBACFKUHI-UHFFFAOYSA-N 426.589 5.994 30 10 IKEE O=C(O)c1ccc(C=Nn2c(CC3CCCCC3)nnc2SCCc2ccccc2)cc1 2330275654 NHNWRPWIPYGBBX-UHFFFAOYSA-N 448.592 5.316 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(Cc2cccs2)nnc1SCc1ccccc1 2330390019 LCUUYOXBJFUUNJ-UHFFFAOYSA-N 448.617 5.892 30 10 IKEE C=CCSc1nnc(Cc2cccs2)n1N=Cc1ccc(OCCCCC)cc1 2330413968 VFBWSGKEYRUVJB-UHFFFAOYSA-N 426.611 5.660 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3cccs3)n2N=Cc2cccc(Cl)c2)c1 2330583898 DCDMMYYEWKIDLJ-UHFFFAOYSA-N 439.009 6.451 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCc3ccccc3Cl)nnc2-c2cccs2)c1 2330586542 PCSBAXVMWCTBCT-UHFFFAOYSA-N 440.981 5.849 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H]3C[C@H]3c3ccccc3Cl)cc2)cc1 2330742189 BCLCSOSLUMRTSD-ZEQRLZLVSA-N 430.931 6.508 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(CCCC)cc2)cc1OCC 2330844739 FZZGAROAXAVRCD-UHFFFAOYSA-N 436.592 7.200 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Br)c1OC(=O)CC 2331103628 JGEALBDNVWEVQU-UHFFFAOYSA-N 439.252 5.338 30 10 IKEE FC(F)(F)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1cccnc1 2331154850 SAKJLKWRGKECDV-UHFFFAOYSA-N 432.258 5.173 30 10 IKEE Cn1cc(C=Nn2c(SCc3cccc(Cl)c3)nnc2-c2ccco2)c2ccccc21 2331225339 HOCYFEAMOLMOFS-UHFFFAOYSA-N 447.951 5.858 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)cc2)c1 2331318535 WLSNPTZWTSBYHC-BJKOFHAPSA-N 430.931 6.562 30 10 IKEE CCCC(=O)Oc1ccc(C=CC(=O)c2cc(OC)ccc2OC)cc1Br 2331386915 CCDIZTHBMKPCBV-UHFFFAOYSA-N 433.298 5.068 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OC(=O)c1ccccc1 2331410862 MCPVGZFCGULLAQ-UHFFFAOYSA-N 448.946 6.761 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)[C@@H](C)c1ccccc1 2331430583 MHHCXMOXZXQBMV-FQEVSTJZSA-N 442.555 6.598 30 10 IKEE COc1cc(C=Nn2c(SCc3ccccc3C)nnc2C(C)C)cc(Cl)c1O 2331675900 ROMWEMXHUUHFKR-UHFFFAOYSA-N 430.961 5.252 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)cc2)cc1C 2331705110 CJAMNRQGWXQYPP-BJKOFHAPSA-N 430.931 6.562 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(OC)cc2OC)cc1OCC 2331726105 FTWDAVGWRRAYPO-UHFFFAOYSA-N 446.927 5.748 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)c1ccccc1 2331802451 SGQLOTULWNMICI-UHFFFAOYSA-N 428.528 6.416 30 10 IKEE CC1(C)OB(/C=C/c2ccc(Nc3cccc(I)c3)nc2)OC1(C)C 2339534479 GDCIHWWPASJPEV-ZHACJKMWSA-N 448.113 5.074 30 10 IKEE CC(C)(C)OC(=O)N[C@]1(C)C[C@H]2CC[C@H]1C[C@H]2Nc1ccc(C#N)c(Br)c1 2380857808 YUIIDYXPKUQZAW-SWQHDHIYSA-N 434.378 5.205 30 10 IKEE C=CCN1C(=O)/C(=C\c2cccc(OCCOc3cc(C)cc(C)c3)c2)SC1=S 2977972 WKRDWXRLUCRAGL-RCCKNPSSSA-N 425.575 5.148 30 10 IKEE CCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N\c1cc(Cl)ccc1Cl 8385138 FXVWHACBOFDDJZ-WGCOJADFSA-N 440.327 5.113 30 10 IKEE CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)c(Cl)c1 9861336 CXRNYWZRPIVGDD-QFIPXVFZSA-N 429.347 6.156 30 10 IKEE COc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1c(F)cccc1Cl 21224427 GKUOYPLWIMATLF-WZQKQDCOSA-N 448.925 6.467 30 10 IKEE CCc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc3c(c2)OCO3)cc1 21226027 JNDQPYFYBIQQCF-WTYVLRPYSA-N 438.527 5.957 30 10 IKEE C=CCN(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)Nc1c(C)cccc1C 35766241 UZVSJUQLUGCNOM-UHFFFAOYSA-N 445.563 5.188 30 10 IKEE Cc1c(C(=O)[C@H](C)Oc2ccc(C(C)C)cc2)c(O)n([C@@H](C)c2ccccc2)c(=O)c1C#N 38623319 ABSGIQRDSWKQSC-OALUTQOASA-N 444.531 5.117 30 10 IKEE O=C1N/C(=N/c2nc3ccccc3s2)S[C@@H]1Cc1cc(C(F)(F)F)ccc1Cl 39847203 QGIWYMZAQMHXCX-CQSZACIVSA-N 441.887 5.430 30 10 IKEE CC(=O)Nc1cccc(C(=O)/C=C/c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)c1 39850972 BPKVCENGKZXETP-RMKNXTFCSA-N 433.813 6.473 30 10 IKEE C=CCN1C(=O)c2[nH]nc(-c3cc(Cl)c(C)cc3O)c2[C@@H]1c1ccc(Cl)c(Cl)c1 39914496 WRTOPOBFUJJNTK-FQEVSTJZSA-N 448.737 5.782 30 10 IKEE Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1sc(=S)c2c(c1C#N)CC[C@H](C)C2 41011204 NFNCKNFFGCQVRB-AAEUAGOBSA-N 432.998 5.842 30 10 IKEE Cc1c2c(cc3c1O/C(=C\C=C\c1ccccc1)C3=O)CN(CCc1ccc(F)cc1)CO2 41588512 NDXFQXGGZQFUSS-PRUYFSNSSA-N 441.502 5.701 30 10 IKEE Cc1ccc(/N=C/c2ccc(Sc3nc4ccccc4c(=O)n3-c3ccccc3)o2)cc1 59392356 ZWCWJNVZQLJRGQ-WPWMEQJKSA-N 437.524 6.189 30 10 IKEE COc1cccc(C(=O)/C=C\c2ccc(OCc3cccc(C(F)(F)F)c3)c(OC)c2)c1 96766647 ZRDASQLSBOLURY-LUAWRHEFSA-N 442.433 6.198 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1ccccc1C(=O)NC(C)C 100443805 XQVWFSOHHRLTRU-UHFFFAOYSA-N 447.689 6.339 30 10 IKEE CCOc1cc2c3c(c1)/C(=N/c1ccc(Oc4ccccc4)cc1)C(=O)N3C(C)(C)C=C2C 101763498 KQBBOLGGRBDANO-GNVQSUKOSA-N 438.527 6.541 30 10 IKEE CCCc1nnc(SCc2ccc(Br)cc2)n1/N=C\c1ccccc1OC 135882658 CYGIPZPEECHIDG-XKZIYDEJSA-N 445.386 5.176 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/Nc2nc(=O)[nH]nc2C(C)(C)C)c(Cl)c1 169899423 RUHAUDRTGSGDHA-PCLIKHOPSA-N 448.011 5.691 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2cc(C)ccc2O)c1 169970738 FIWCCXYMCCSPSY-DEOSSOPVSA-N 438.483 5.273 30 10 IKEE CCCCCCCCN1C(=O)C(SCc2ccco2)=C(c2ccc([N+](=O)[O-])cc2)C1=O 169979188 RWWGTYOCMVOZOS-UHFFFAOYSA-N 442.537 5.562 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2cccs2)cc1 169983020 BTRNFNMAOCOIDN-QHCPKHFHSA-N 447.556 6.053 30 10 IKEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 170054119 KZAMRAWGNPNQSQ-HSZRJFAPSA-N 447.918 5.170 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1ccc(F)cc1)c1cc2ccccc2o1 170063921 UYIIBZOTZUSHPO-JOCHJYFZSA-N 449.384 5.633 30 10 IKEE CCCCCCCCN1C(=O)C(SCCO)=C(c2ccc(Cl)cc2Cl)C1=O 170065343 KIKTXVQPTOFNPK-UHFFFAOYSA-N 430.397 5.159 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccccc2F)c1 170071346 RFCYONXHRPEZCE-QHCPKHFHSA-N 426.447 5.097 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccccc1F 170072493 IONDSVYSULMWHH-HSZRJFAPSA-N 449.453 5.060 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(CC)cc3)[C@@H]2c2ccccc2C)c1 170086631 HKTBMBJWGDQUBY-VWLOTQADSA-N 441.527 5.739 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1C1CCCCC1 170123788 CZSKKQRYDBIDQW-OAQYLSRUSA-N 425.912 5.260 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(C)c2)cc1 170143945 FOZIKPQDIJVIIA-HSZRJFAPSA-N 431.488 5.155 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(O)c(OCC)c1 170148909 YKCQYNFORUAEGA-DEOSSOPVSA-N 445.515 5.323 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@@H]1c1cccc(OCC)c1 170217624 MTDPVARLTGUWFD-NRFANRHFSA-N 443.927 5.126 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccc2F)cc1C 170249793 LZGIWKAOTGZPLV-XMMPIXPASA-N 445.490 5.624 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccco2)cc1Cl 170284947 GZJCJLFPIXVLFX-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@H]2c2ccco2)s1 170288850 HYSSDACIZNDKIF-KRWDZBQOSA-N 428.897 5.098 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1sccc1C 170312775 SRFVWEGMGWAGBE-GOSISDBHSA-N 443.521 5.044 30 10 IKEE Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1cccc(C#Cc2ccccc2)c1 248031774 PUYOWGCNLOPBFD-UHFFFAOYSA-N 425.919 5.545 30 10 IKEE COc1cc(Br)cc(C=Nc2ccc(NC(=O)c3cccc(C)c3)cc2)c1O 252636566 XKHOMWKYBJAXMY-UHFFFAOYSA-N 439.309 5.475 30 10 IKEE C[C@@H](Nc1cc(I)ccc1Br)c1ccc(C#N)cc1 311620748 IGUJKMKPJJHNRC-SNVBAGLBSA-N 427.083 5.098 30 10 IKEE COC(=O)c1ccc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526517214 SPULGVSAHRIQEA-QFIPXVFZSA-N 444.874 5.055 30 10 IKEE CCCCOc1ccc(/C=N\n2c(C)nnc2SCc2ccccc2F)cc1OCC 526802218 CRBZERORQYKVAL-MYYYXRDXSA-N 442.560 5.478 30 10 IKEE CCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1c(Cl)ccc(Cl)c1Cl 526803993 AEQYBRJDHVBAGL-RMORIDSASA-N 439.799 6.284 30 10 IKEE CCc1nnc(SCc2ccccc2Cl)n1/N=C\c1cccc(Br)c1 526817188 WBKNTSHYYMFFGL-NHDPSOOVSA-N 435.778 5.431 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccc(OC)c(O)c1 526817206 WXECYIVNTBFIRI-QRVIBDJDSA-N 430.961 5.163 30 10 IKEE CCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1c(OC)ccc2ccccc12 526818772 ZTIFAJIUJKMBHC-YSMPRRRNSA-N 430.577 5.794 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1ccc(Cl)cc1Cl 526818940 HXQCQGCZYUCTLA-MXAYSNPKSA-N 447.435 6.719 30 10 IKEE Cc1ccc(N(C(=O)c2cccc(C#N)c2)S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 586295242 UHWRXYKGFMHLTP-UHFFFAOYSA-N 432.545 5.200 30 10 IKEE COc1ccc(N=c2c(Cc3ccc(C)cc3)c(C)c(C#N)c3[nH]c4ccccc4n23)cc1 607738362 PYSWQNYZCMIPPT-UHFFFAOYSA-N 432.527 5.741 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCc2ccccc2C1 698482082 LOPRBAQLUYKXCT-QFIPXVFZSA-N 427.342 5.642 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCC1)[C@H](C#N)c1ccc(I)cc1 698816753 QZAFAIJEZCEAMH-MRXNPFEDSA-N 426.298 5.036 30 10 IKEE CCOC(=O)c1ccc(-n2c(C)cc(C=Nc3ccc(Br)cc3C)c2C)cc1 725429503 BYANYBPPPNWMFG-UHFFFAOYSA-N 439.353 6.092 30 10 IKEE Cc1ccc(-c2csc(NN=Cc3ccc(OS(=O)(=O)c4ccccc4)cc3)n2)cc1 1084002690 VOHKDVCNWNPLCD-UHFFFAOYSA-N 449.557 5.332 30 10 IKEE C=CCN1C(=O)[C@@H](Cc2ccc(Cl)c(Cl)c2)SC1=Nc1ccc(C(=O)O)cc1 1772727851 BJNAAHZPXNIOMX-QGZVFWFLSA-N 435.332 5.052 30 10 IKEE COc1ccccc1/C=C1/SC(=Nc2ccncc2Cl)N(C2CCCCC2)C1=O 1772736485 LGMCVDLFLUIGOF-RLPJPJOASA-N 427.957 5.680 30 10 IKEE Cc1ccc2c(CC(=O)Nc3oc(-c4ccccc4)c(-c4ccccc4)c3C#N)noc2c1C 1859650578 XCSYMTLVNRDVPK-UHFFFAOYSA-N 447.494 6.425 30 10 IKEE CSc1ccc(/C=C/C(=O)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 1860726265 SVDNJFWVCBCBKI-QPJJXVBHSA-N 433.373 5.667 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)c1ccc2nc(C)c(C)nc2c1 1861400431 JARAGNKKBFDESR-SANMLTNESA-N 440.632 5.402 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)[C@H](C)Oc1ccc(C(C)C)cc1 1861674066 OOXWCOKZZRHRSK-WIOPSUGQSA-N 444.660 5.825 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(OC)cc1 1862413879 MSVLHZABAFRABN-OAQYLSRUSA-N 429.463 5.132 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1cccc2ccccc12 1862420874 SCTLFBBZZOQRRK-DEOSSOPVSA-N 449.497 6.277 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@H]2c2ccc(C)cc2)cc1OCCC 1862426221 QICHYAFGJFFHHR-QHCPKHFHSA-N 437.536 5.171 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@@H]2c2ccccc2)cc1 1862429875 WVSZTXZDGNRGQW-QHCPKHFHSA-N 431.919 5.469 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1cccc(C)c1 1862456178 MEGUZNZFZFUSPO-NRFANRHFSA-N 431.454 5.571 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1862477206 UKFABFXPJLNBGC-HSZRJFAPSA-N 437.536 5.345 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc3cc[nH]c3c2)c1 1862491655 YEJXRDJJCAQXMT-XMMPIXPASA-N 428.532 5.696 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(Cl)cc1Cl 1862622247 CHNOMBBWOPNROM-HXUWFJFHSA-N 444.358 6.055 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(F)cc1 1862649980 KVFFPQKNZAIMFP-WQWSHVPRSA-N 443.518 6.136 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCc2ccccc2)c1 1862660511 NBGWZBMLWOOUEG-SANMLTNESA-N 439.555 5.939 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1c(Cl)cccc1Cl 1862668124 RBXDNEVAPWFMII-NRFANRHFSA-N 446.374 6.351 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862690178 JHLPRKFRYNVIKK-FQEVSTJZSA-N 448.346 5.771 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2ccccc2Cl)c1 1862700683 MAPJOKZNSNZEOG-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(Cl)cc3C)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862905454 ODEZZKHLYIKZNW-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccccc3C#N)C(=O)N(c3cc(Cl)ccc3C)C2=O)c1 1863021669 ZXUHYUICPOZAMH-UHFFFAOYSA-N 441.918 5.534 30 10 IKEE N#Cc1ccccc1N1C(=O)C(Nc2cc(Cl)cc(Cl)c2)=C(c2cccs2)C1=O 1863119975 PGYDFAPUZHIUEI-UHFFFAOYSA-N 440.311 5.323 30 10 IKEE C=CCN1C(=O)C(Nc2cc(Cl)ccc2Oc2ccccc2)=C(c2cccs2)C1=O 1863478130 OFTCIFHPZZQWMQ-UHFFFAOYSA-N 436.920 5.572 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(Cl)cc2)C(=O)N(CCCOCC)C1=O 1863537282 WBLQPRNQKURDML-UHFFFAOYSA-N 449.035 5.577 30 10 IKEE C/C(=C\c1ccccc1Cl)C(=O)N[C@H](C(=O)Nc1ccccc1C#N)c1ccccc1 1866819449 JHPMFXMPNCBKCR-GGJDQLKOSA-N 429.907 5.111 30 10 IKEE CCCC[C@@H](NC(=O)[C@@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccccc1C#N 1866964418 VIPJOODVMUHWSX-JWQCQUIFSA-N 433.596 5.735 30 10 IKEE Cc1cccc(C)c1Cn1nnc(C#N)c1NC(=O)c1c(Cl)ccc(Cl)c1Cl 1870111968 JZSSJKZPAYPVBS-UHFFFAOYSA-N 434.714 5.027 30 10 IKEE CCCCCCCOc1cn(CCO)c(CNc2cc(C(C)C)cc(C(C)C)c2)cc1=O 1870838797 UTJNOXGWILSCNS-UHFFFAOYSA-N 442.644 6.049 30 10 IKEE C=CCn1cc(OCc2ccccc2C)c(=O)cc1CNc1cc(C(C)C)cc(C(C)C)c1 1871079183 BTFDPNZHYJEWIV-UHFFFAOYSA-N 444.619 6.781 30 10 IKEE CCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1cccc(Br)c1)C3=O 1871346394 DESGVGYCTKLZRK-ODLFYWEKSA-N 428.326 5.326 30 10 IKEE COc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN(CCc2ccc(C)cc2)C3)C1=O 1871359569 QTTSWAIBNHGHJX-MYYYXRDXSA-N 441.527 5.323 30 10 IKEE Cc1c(OC(=O)CCc2ccccc2)ccc2c1O/C(=C\c1c(F)cccc1Cl)C2=O 1871385615 COZBVXURFUXISR-HMAPJEAMSA-N 436.866 5.942 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)c4cccc(OC(C)=O)c4)cc(C)c3C2=O)cc1 1871390261 NDZDZIQMJYEVQJ-CFRMEGHHSA-N 442.467 5.318 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2sccc2C)C3=O)cc1 1871409192 ZGAVHQHGYCOTEB-WBRURWICSA-N 433.529 5.696 30 10 IKEE Cc1c(OCC(=O)C(C)(C)C)ccc2c1O/C(=C\c1ccccc1Br)C2=O 1871419044 ARADMDHFISYDOH-WQRHYEAKSA-N 429.310 5.368 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2sccc2C)C3=O)c(Cl)c1 1871436424 YKTLTSYYUHQPLR-JAIQZWGSSA-N 439.920 5.652 30 10 IKEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1871842874 XXHBFOSMUOEYTG-DEOSSOPVSA-N 442.625 5.411 30 10 IKEE C=CCN([C@H](CC(C)C)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1872245796 YUXCFBVTXZMSCV-HSZRJFAPSA-N 442.625 5.150 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 1872252739 VVZLWFMBHKMLCH-QHCPKHFHSA-N 428.598 5.068 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1C)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 1872419174 ROXUEJRPLZCGDF-RUZDIDTESA-N 448.588 5.250 30 10 IKEE C=CCN([C@@H](CC)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872432705 APBZZUJQEHMPDQ-NRFANRHFSA-N 449.016 5.168 30 10 IKEE CCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 1872765052 FWUVRIMDIGKDOH-QGZVFWFLSA-N 427.323 5.461 30 10 IKEE CC(C)COc1ccc(C(=O)[C@H](C#N)c2nc(-c3cccc4ccccc34)cs2)cc1 1872775258 MORVWGHBGXROOR-QHCPKHFHSA-N 426.541 6.488 30 10 IKEE COc1cc(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)s3)n2)c(OC)cc1Cl 1872782189 GKVFMSPXLNMTMW-SNVBAGLBSA-N 439.345 5.686 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4ccccc4)cc3)n2)c(OC)c1 1872783563 COXNHVTVNIUXBO-QFIPXVFZSA-N 440.524 5.984 30 10 IKEE COc1ccc2ccccc2c1/C=N/Nc1cnn(-c2ccc(Cl)cc2)c(=O)c1Cl 1873526601 NBYONJOWBUMTLJ-BRJLIKDPSA-N 439.302 5.147 30 10 IKEE CCCCCCCCCCNC(=O)c1cc2c(N(CC)CC)ncnc2n1CCCOC 1873588020 NMEBTRMCRKPCBP-UHFFFAOYSA-N 445.652 5.185 30 10 IKEE CCCCCCCCCCNC(=O)Cc1nn(Cc2ccccc2)c(=O)c2ccccc12 1873936883 RAAXONYSAZCOCT-UHFFFAOYSA-N 433.596 5.244 30 10 IKEE Cc1ccccc1OCCCc1nnc(SCc2ccccc2)n1/N=C/c1ccccn1 1874249462 FBWAWXQFUBDNCT-OVVQPSECSA-N 443.576 5.168 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1ccc(OCCC)cc1 1874287472 GXXRSPLLQPXYIV-LGUFXXKBSA-N 440.657 6.691 30 10 IKEE Fc1cccc(CSc2nnc(CCCOc3ccccc3)n2/N=C/c2ccco2)c1 1874317570 ZTFMBEKJRGFLFM-PCLIKHOPSA-N 436.512 5.196 30 10 IKEE CCCSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1ccccc1OC(C)C 1874331353 IWBPFULMUXPQFB-YZSQISJMSA-N 436.625 5.852 30 10 IKEE COc1ccc(Cc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccccc2)cc1 1874350630 WBWQOGLXRCTEJL-WGOQTCKBSA-N 432.524 5.191 30 10 IKEE C(=N/n1c(COc2ccccc2)nnc1SCc1cccc2ccccc12)\c1ccc[nH]1 1874385196 CWOQBFZYELXAJJ-JVWAILMASA-N 439.544 5.513 30 10 IKEE Cc1cccc(CSc2nnc([C@@H](C)c3ccccc3)n2/N=C/c2ccccc2F)c1 1874393337 JQLQXVVWZXZXLE-FQNOVECQSA-N 430.552 6.052 30 10 IKEE CCc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCc2ccc(F)cc2)cc1 1874410480 VSFKEWOYDANVRQ-MFKUBSTISA-N 436.581 5.806 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2ccc([N+](=O)[O-])cc2)c1 1874415955 QAMBKPSKJRIURL-PCLIKHOPSA-N 443.532 5.260 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2ccccc2F)cc1 1874421343 HKBRTYHJXYKGCL-WSDLNYQXSA-N 439.497 5.228 30 10 IKEE Fc1cccc(CSc2nnc(-c3ccccc3)n2/N=C/c2c[nH]c3ccccc23)c1 1874427144 SPEMDMSTEKPLTA-JFLMPSFJSA-N 427.508 5.740 30 10 IKEE CCCOc1ccccc1/C=N/n1c(CC(C)(C)C)nnc1SCc1cccc(F)c1 1874438933 AZOUYXYAUPDMRW-WGOQTCKBSA-N 440.588 5.969 30 10 IKEE COc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccc(Cl)cc2)cc1O 1874440370 XPDFKSMVCVOPPO-ZMOGYAJESA-N 444.988 5.409 30 10 IKEE COc1cccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2C2CCCC2)c1O 1874455619 BELSQKQOSMLTPP-AFUMVMLFSA-N 436.581 5.441 30 10 IKEE CCCOC(=O)CSc1nnc(C2CCCC2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874458070 VWJCKKFQKWGFNF-BUVRLJJBSA-N 428.602 5.161 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C(F)(F)F)cc1 1874462942 LXPGWCGCBWMEBR-BHGWPJFGSA-N 440.878 5.524 30 10 IKEE CC(C)(C)c1ccc(/C=N/n2c(SCc3ccccc3F)nnc2-c2ccco2)cc1 1874466831 DNMANZMLSKRUJJ-CVKSISIWSA-N 434.540 6.149 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2-c2ccco2)cc1 1874469073 MOTJDVWNSMULHB-WYMPLXKRSA-N 426.904 5.814 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CCCC)nnc2SCc2ccc(F)cc2)cc1 1874476664 RIQGJRKHKQSIOA-YZSQISJMSA-N 440.588 6.113 30 10 IKEE COc1cc(/C=N/n2c(S)nnc2CC2CCCCC2)ccc1OCc1ccccc1 1874560615 HBVVPVYFXMPXOA-PCLIKHOPSA-N 436.581 5.159 30 10 IKEE Cc1ccc(Cc2nnc(S)n2/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1 1874561334 NAAVALOJMVMTRC-CVKSISIWSA-N 448.979 5.581 30 10 IKEE O=C(COc1ccccc1/C=C/C(=O)c1ccc(Br)cc1)Nc1ccccc1 1874574602 VIRMDPYCGOLCOI-NTCAYCPXSA-N 436.305 5.363 30 10 IKEE CCN(CC)C(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1cc(Cl)ccc1OC 1874592749 ZTFFJUIZLAXNAE-RMKNXTFCSA-N 436.335 5.145 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OCc1ccc(Cl)c(Cl)c1 1874596227 PMQXRLSPSSVDAS-JXMROGBWSA-N 441.354 7.094 30 10 IKEE COc1cc(C(=O)/C=C/c2cccc(OCc3cc(C)ccc3C)c2)c(OC)cc1Cl 1874599028 RCGAXQRQMSEVEO-ZHACJKMWSA-N 436.935 6.449 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1 1874602228 AOQQLIVFCUZKGE-QGOAFFKASA-N 435.523 6.316 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OCc1ccc(F)cc1 1874604113 VTDZOKXCTNJTPE-OQLLNIDSSA-N 430.519 6.578 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2Cl)c([N+](=O)[O-])c1)c1cccc(Cl)c1 1874612480 WYTQGINHTMPCOV-CSKARUKUSA-N 428.271 6.377 30 10 IKEE CCOc1c(Br)cc(/C=C/C(=O)c2ccc(Cl)cc2)cc1Br 1874613115 CZCIVXLIJUKQNI-FPYGCLRLSA-N 444.550 6.160 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(OC)c1OCCc1ccccc1 1874623920 CKCRHOSZABNWOR-XNTDXEJSSA-N 430.544 6.345 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 1874623969 FNPFMHYQZRHRPB-WLRTZDKTSA-N 425.355 7.592 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(OC)c1OCc1ccccc1C 1874635025 DFTJRDBCVOFAHL-BUHFOSPRSA-N 440.583 7.132 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(F)cc3F)c2)cc1OC 1874694008 HZXPFJRFFUWNIC-UXBLZVDNSA-N 438.426 5.026 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCc3ccccc3C)c2)cc1OC 1874694153 OFHGURSFICCUFY-SDNWHVSQSA-N 430.500 5.447 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1OC(=O)c1ccc(F)cc1 1874695046 ISEQEQICVUWKPH-WTDSWWLTSA-N 445.273 6.256 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccccc2Br)c1)c1ccccc1Cl 1874697168 URGDEKBGVSEDEK-OUKQBFOZSA-N 441.708 6.218 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OC(=O)Cc1ccc(F)c(C)c1 1874697819 BTQPOUXHXOTRSY-FMIVXFBMSA-N 434.463 5.196 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(-c3ccccc3)cc2)c1)c1ccc(Cl)cc1 1874701009 XGNUSPSCMXXKSS-GIJQJNRQSA-N 438.910 7.122 30 10 IKEE Cc1ccsc1C(=O)Oc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1Cl 1875085108 PONXBIHMEUBVRJ-FNORWQNLSA-N 427.865 5.733 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)ccc1OC(=O)CCOc1ccccc1 1875101665 VUNYLUAUWWWHNU-WYMLVPIESA-N 446.499 5.365 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(C)c3)c(Br)c2)cc1 1875101735 ZGUKOERCMRWKJN-UKTHLTGXSA-N 449.344 6.435 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)CCCSC)c(OC)c2)cc1C 1875107348 LSXNFEMKNWHVPQ-VQHVLOKHSA-N 448.968 5.610 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2OC)cc(OC)c1OC(=O)c1cccc(F)c1 1875119711 IVOWNFQFRALVHL-BUHFOSPRSA-N 446.474 5.687 30 10 IKEE Cc1cncc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)c(Cl)c3)cc2Cl)c1 1875135406 OYWGRXVWVOXGLD-QHHAFSJGSA-N 446.717 6.466 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(Cl)c(OC(=O)c2ccco2)c(OC)c1 1875143571 GSLNGTTXNLFHCW-BQYQJAHWSA-N 426.852 5.374 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1ccccc1Cl 1875163596 SQAOERVZFITBTQ-UXBLZVDNSA-N 428.818 5.742 30 10 IKEE CC(C)CC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1Cl 1875165509 LNHZIJSMAJFSOG-RIYZIHGNSA-N 434.919 6.980 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)CCc1ccccc1 1875166792 SXSNWXCYNUEFKG-GXDHUFHOSA-N 444.527 5.755 30 10 IKEE COc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3cc(C)cc(C)c3OC)cc2)cc1 1875169799 SQRJVIHYNFCLNN-VGOFMYFVSA-N 446.499 5.201 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)C(F)(F)F 1875181722 UPULJLJWYYCCKC-AATRIKPKSA-N 426.818 5.638 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 1875184733 NXPCYGNWLKYBPH-RVDMUPIBSA-N 443.499 6.316 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)cc1F 1877010552 AJXXAYPEXWQJEN-QZTJIDSGSA-N 429.374 5.488 30 10 IKEE CC1(C)OB([C@]23C[C@H]2CCN(Cc2ccc(Br)cc2Cl)C3)OC1(C)C 1879792121 DQKMSPXRTKXKQN-KUHUBIRLSA-N 426.591 5.161 30 10 IKEE N#Cc1cccc(N2CCN(C(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)cc3)CC2)c1 1890837054 SPUNMTRLIAWZSO-UHFFFAOYSA-N 436.342 5.494 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(F)c(Br)cc1F 1894937568 GATJAKICFDJORZ-DLBZAZTESA-N 433.337 5.237 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NC)c1cc(Br)ccc1Br 1922067623 COPDMSDHWJRVGS-GOSISDBHSA-N 425.164 5.245 30 10 IKEE CN[C@@H](CC#CC1CCCCC1)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 1944818308 DSANOQUDAFHIGZ-NKKJXINNSA-N 428.617 5.047 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 1949123729 WQBBCCGGHWBNMQ-IECBHUPTSA-N 433.593 5.238 30 10 IKEE C#CCCN(C(=O)[C@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCC1 1984727870 VHCNEMADOVDGBK-FQEVSTJZSA-N 444.575 5.098 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@@](C#N)(N(CC3CC3)C(=O)OC(C)(C)C)C[C@@H]21 2001953874 JLFGYLGKVHPJCP-YDIMBITNSA-N 433.593 5.095 30 10 IKEE CC(C)(C)OC(=O)N1CC2(C1)CC(C#N)(N(C(=O)OC(C)(C)C)C1CCCCCC1)C2 2011945028 JKZXTTJQAUMEFO-UHFFFAOYSA-N 433.593 5.240 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@]2(C)CCCN2C(=O)OC(C)(C)C)c1 2020804801 SPLPFXCDOUTWPB-CYFREDJKSA-N 429.561 5.418 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(C)sc(C)c1Br 2027387449 AYYXWCLDSURWNZ-RHSMWYFYSA-N 431.440 5.638 30 10 IKEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2032553044 UDLUAWPDZFEOPT-CLOONOSVSA-N 449.636 5.876 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@]2(C)CCN2C(=O)OC(C)(C)C)c1 2045190603 KXJUSCMUDZXDTJ-ZEQRLZLVSA-N 445.560 5.118 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@](C#N)(N(C(=O)OC(C)(C)C)c3ccccc3)C[C@@]2(C)C1 2052770317 KQSMBMFHZVBJNO-WDNCENIBSA-N 441.572 5.357 30 10 IKEE COc1cccc(C=CC(=O)c2c(C)nc3ccccc3c2-c2ccc(Cl)cc2)c1OC 2053621441 IARRXRQXWZXMSG-UHFFFAOYSA-N 443.930 6.777 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H]1C[C@@H]2CCCC[C@H]2N(C(=O)OC(C)(C)C)C1 2058996516 SGBKAEWXUQFFQS-LIONHTAISA-N 442.644 5.553 30 10 IKEE CCOc1cc(-c2nc3ccccc3n2CC#N)ccc1OCc1c(F)cccc1Cl 2060397529 AZLQLOIWJJZJAE-UHFFFAOYSA-N 435.886 5.997 30 10 IKEE O=C(O)c1c(C(F)(F)F)nn([C@H](c2ccc(C(F)(F)F)c(F)c2)C2CC2)c1Cl 2080034180 BKYSXQASMXWOBO-NSHDSACASA-N 430.707 5.411 30 10 IKEE N#Cc1c(C2CCCC2)nn(Cc2cccc(F)c2Br)c1Br 2080296925 CTDHQJYSZRILDL-UHFFFAOYSA-N 427.115 5.125 30 10 IKEE C=CCCCCCC[C@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)NCCC 2085842389 QFTFAGNXQDJJMM-RUZDIDTESA-N 445.692 5.908 30 10 IKEE CC1(C)OB(c2cc(CN(Cc3ccccc3)CC3CCCCC3)ccc2F)OC1(C)C 2095822473 ZGYXJFMGZWCUEO-UHFFFAOYSA-N 437.408 5.707 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@H]2Nc2ccc(Br)c(C#N)c2)C1 2156240992 FVQQQNHMLOIQKZ-WIYYLYMNSA-N 434.378 5.302 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(F)c(Br)cc1F 2198173039 GZRHORHIMQXXKL-MSOLQXFVSA-N 445.348 5.075 30 10 IKEE C=CCCCCCCCCC(=O)c1cc(I)ccc1Br 2207432294 NQJLZPYYMBCHAW-UHFFFAOYSA-N 449.170 6.543 30 10 IKEE CN(Cc1ccc(C(=O)C#Cc2ccccc2Br)cc1)C(=O)OC(C)(C)C 2235728643 LWSBHWGJRLOGTC-UHFFFAOYSA-N 428.326 5.050 30 10 IKEE CC1(C)CC=C(C(=O)[C@H](Cc2ccc(Br)cc2)NC(=O)OC(C)(C)C)CC1 2237409802 QQBHNJUARIRPMD-SFHVURJKSA-N 436.390 5.591 30 10 IKEE Cc1ccc(Nc2cc(Br)c(C#N)cc2F)cc1CNC(=O)OC(C)(C)C 2239821093 KMSPMVXXEBVYFO-UHFFFAOYSA-N 434.309 5.537 30 10 IKEE CCCC(C#N)(CCC)C(=O)Nc1ccc(Br)cc1I 2240370518 OTEVDKNMKNEROL-UHFFFAOYSA-N 449.130 5.102 30 10 IKEE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCC#N)C(C)C 2243919777 YMTHYGDVNFDDOG-RUZDIDTESA-N 447.579 5.090 30 10 IKEE C=C(C)CCCC[C@H](O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2271755597 NFKQWTYZCFAGLH-OALUTQOASA-N 426.395 5.382 30 10 IKEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)CN(Cc2ccccc2)C2(CCCC2)C1 2275815532 PAQZNEIAPDYURS-NDEPHWFRSA-N 449.591 5.208 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2308985141 NGVKMMMPOLTLRU-FTWJINIUSA-N 447.620 5.532 30 10 IKEE CCCCOc1ccc(C=C2SC(=Nc3cccnc3Cl)N(C)C2=O)cc1OC 2314540152 JZIYSGPQNKGMGL-UHFFFAOYSA-N 431.945 5.156 30 10 IKEE CCOc1ccc(C=C2SC(=Nc3nnc(C)s3)N(C3CCCCC3)C2=O)cc1 2314548205 QHYDOJCAMOPBHD-UHFFFAOYSA-N 428.583 5.182 30 10 IKEE CN[C@H](C#Cc1cccs1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2316464328 ZSISREIVCVPPEN-AREMUKBSSA-N 439.580 6.218 30 10 IKEE CCCCCOc1ccc(C=NNc2oc([C@@H]3C[C@H]3c3ccccc3)nc2C#N)cc1OC 2320837054 JFXKWLZLXMVNFS-LEWJYISDSA-N 444.535 5.841 30 10 IKEE Cc1ccccc1CSc1nnc(C(C)C)n1N=Cc1c(C(=O)O)n(C)c2ccccc12 2321844693 FUXIWINWAJCXCV-UHFFFAOYSA-N 447.564 5.074 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2Cl)Oc2c1ccc1c2CN(C2CCCCCC2)CO1 2322076102 NTMZULHXUPCZRC-UHFFFAOYSA-N 444.358 6.484 30 10 IKEE Cc1cccc(CN2COc3cc(C)c4c(c3C2)OC(=Cc2ccc(Cl)cc2)C4=O)c1 2322217855 ARINVMJZLDUBOI-UHFFFAOYSA-N 431.919 5.925 30 10 IKEE O=C(C=Cc1c(OCc2cccc(Cl)c2)ccc2ccccc12)c1cccc(Cl)c1 2322524734 FWUQLKNEDUIOER-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2ccc([N+](=O)[O-])cc2)cc1 2322565299 YHHUEKUADNOMLB-UHFFFAOYSA-N 433.460 5.477 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccccc2OCC(=O)NCc2ccccc2)c1C 2322833118 QRTVPDFGXONSKZ-UHFFFAOYSA-N 427.544 5.512 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O)c1cc2cc(Cl)ccc2o1 2322845562 HVVOLTCZOPXSEH-UHFFFAOYSA-N 442.854 6.478 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2cccc(OCc3cc(C)ccc3C)c2)cc1Cl 2323279984 VQIJPLSMPMBXTP-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc4ccccc4c3)cc2)cc1 2323395732 BXVRCHNSYRJCJW-UHFFFAOYSA-N 435.523 6.316 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCSC)NC(=O)C=Cc1ccc(C(C)(C)C)cc1 2323460763 IPSQHYFOHPIMSK-QHCPKHFHSA-N 446.701 5.712 30 10 IKEE O=C(C=Cc1ccc(OCc2c(F)cccc2Cl)c(Cl)c1)c1ccccc1Cl 2323603113 PFHUMLIOFBWTEL-UHFFFAOYSA-N 435.709 7.261 30 10 IKEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3cc(C(C)(C)C)ccc3OC)cc2)o1 2324220071 JICSGGYWSKSCHA-UHFFFAOYSA-N 448.515 5.847 30 10 IKEE N#Cc1cccc(C(=O)N2CCC(c3ccc(OC(=O)C=Cc4ccccc4)cc3)CC2)c1 2325027728 JNXRKSURWMFNPL-UHFFFAOYSA-N 436.511 5.197 30 10 IKEE Clc1cccc(CSc2nnc(CCc3ccccc3)n2N=Cc2cccs2)c1 2325461823 FEUVBOZPTPVVDP-UHFFFAOYSA-N 439.009 5.953 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O 2325493184 QJHRLSWZPUAQIP-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(CC)cc1 2325532250 TZZUAEAKPQBXCC-UHFFFAOYSA-N 428.605 6.511 30 10 IKEE CCc1ccc(C(=O)Oc2cc(C=CC(=O)c3ccc4c(c3)CCCC4)ccc2OC)cc1 2325701277 AKRZAOMNAICILA-UHFFFAOYSA-N 440.539 6.252 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)CC34CC5CC(CC(C5)C3)C4)c2)cc1 2325719501 KTDQKMWTNNGSQX-UHFFFAOYSA-N 430.544 6.103 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccccc3)c2)c(OCC)c1 2325762674 AOVJOJJFLLLZOX-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)c2ccccc2Cl)c1 2325763953 PHCYYZDOBNWTFT-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(OC)c(OC)c1Cl 2326272375 COKBAMUKBKQGNX-UHFFFAOYSA-N 448.951 5.215 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1cc(Cl)c(O)c(OCC)c1 2326303386 QZVDRIFDKUBRBB-UHFFFAOYSA-N 444.988 5.471 30 10 IKEE CCCCOc1cccc(C=Nn2c(CC)nnc2SCc2ccccc2Cl)c1 2326546469 JOPBHAXUFDHPTB-UHFFFAOYSA-N 428.989 5.847 30 10 IKEE Fc1ccccc1CSc1nnc(CCCOc2ccccc2)n1N=Cc1ccco1 2328746298 DRJNNUXPUWOZKA-UHFFFAOYSA-N 436.512 5.196 30 10 IKEE Cc1ccc(CCc2nnc(SCc3cccc(F)c3)n2N=Cc2cccn2C)cc1C 2328936455 UIIVFDCQUHSLOK-UHFFFAOYSA-N 447.583 5.332 30 10 IKEE Cc1ccc(C=Nn2c(Cc3ccc(Cl)cc3)nnc2SCc2ccc(C)cc2)cc1 2329068753 NTQKBQGIKJWNRP-UHFFFAOYSA-N 447.007 6.314 30 10 IKEE Clc1cccc(CSc2nnc(COCc3ccccc3)n2N=Cc2cccnc2)c1 2329365190 FHPHFDREKLHXHP-UHFFFAOYSA-N 449.967 5.218 30 10 IKEE CCCSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(Cl)c(Cl)c1 2329602979 CDAVOVLOSIKDAT-UHFFFAOYSA-N 425.772 6.290 30 10 IKEE CSc1nnc(COc2ccccc2)n1N=Cc1ccc(OCc2ccccc2C)cc1 2329869221 RTTDIJBVIYMLFM-UHFFFAOYSA-N 444.560 5.349 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cc(C)ccc3C)n2N=Cc2ccc(F)cc2)cc1 2329995410 ROPISGRHXMZIJQ-UHFFFAOYSA-N 444.579 6.108 30 10 IKEE Oc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccc(F)cc2)cc1O 2330234301 XFDGDZIJYPTCCR-UHFFFAOYSA-N 440.544 5.126 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2-c2cccs2)cc1O 2330541176 QMNQDGJBMMYWRH-UHFFFAOYSA-N 440.525 5.034 30 10 IKEE CCCCCCC(=O)Oc1c(OC)cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1OC 2330624149 YFOGBBJANKNIQM-UHFFFAOYSA-N 441.480 5.384 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1)c1cccc(Cl)c1 2330805456 QWIIGKHXKFTGOX-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(N(C)C)cc1 2331131607 XJVXEHSKYCQWCV-UHFFFAOYSA-N 449.934 5.920 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OC(=O)COCc1ccccc1 2331159644 XGDCCAKSTNZDGQ-UHFFFAOYSA-N 436.891 5.367 30 10 IKEE CCOc1cc(C=Nn2c(SC)nnc2-c2ccco2)ccc1OCc1ccc(C)cc1 2331165302 VHWHKMVKZGKGRC-UHFFFAOYSA-N 448.548 5.428 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)C1CCCC1 2331324481 GMLULPOWCHVNRE-UHFFFAOYSA-N 426.940 6.347 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)c1cccc(F)c1 2331329000 MLRVYBOTNRBLMU-UHFFFAOYSA-N 444.502 6.295 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)cc3)c(OC)c2)c1 2331393927 JMMODTACVYSFOD-UHFFFAOYSA-N 446.499 5.065 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1ccccc1C 2331445397 RAATWLGPCPJCSY-UHFFFAOYSA-N 430.456 5.238 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1OC(=O)c1ccccc1C 2331532358 PEDUSVFNSAKNGK-UHFFFAOYSA-N 449.434 5.556 30 10 IKEE CC(C)c1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(C(C)(C)C)cc1 2331702088 MGMSVQACEGSZLQ-UHFFFAOYSA-N 427.017 6.527 30 10 IKEE CCOc1cc(C=Nn2c(SCC)nnc2C2CC2)ccc1OCc1ccccc1C 2331736614 ODAZXFAVNDLLAN-UHFFFAOYSA-N 436.581 5.436 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OC(=O)c2cnccn2)c(Cl)c1 2331743522 IVNAOSINXGWBRC-UHFFFAOYSA-N 443.286 5.216 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)C(C)(C)C)c([N+](=O)[O-])c1 2331757273 YGMGPBOPIRBDEG-UHFFFAOYSA-N 431.872 5.413 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1snnc1C1CC1 2336560800 JWOSKEUMLKFBSH-CQSZACIVSA-N 435.347 5.184 30 10 IKEE C[C@H]1C[C@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CN(Cc2ccccc2)C1 2339588175 DXCMFJGPQZDSQP-JWVZTPSPSA-N 433.405 5.049 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NC)c1c(C)c(C)c(Br)c(C)c1C 2345961350 IKHBJHAIKROXSW-LPHOPBHVSA-N 425.411 5.413 30 10 IKEE CO[C@@]1(C)C[C@@H]2C[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2356220614 XOUSCIQRPDEWQL-LATRNWQMSA-N 435.362 5.288 30 10 IKEE CC#CCN(C[C@@H](NCCC)c1cc(F)c(Br)c(F)c1)C(=O)OC(C)(C)C 2363133442 RDDIBORPBNSQIZ-QGZVFWFLSA-N 445.348 5.028 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NC)c1c(C)c(C)c(Br)c(C)c1C 2375321897 HZTRGKSFKJDMPB-XLIONFOSSA-N 437.422 5.250 30 10 IKEE CC1(C)OB(c2ccc(COc3ccc(F)cc3Cl)cc2Br)OC1(C)C 2377330912 SUSQORKULMFERD-UHFFFAOYSA-N 441.533 5.120 30 10 IKEE Cc1ccccc1-n1c(=S)sc2c(=O)n(-c3ccc(F)cc3)c(SCC#N)nc21 3026548 FEAVLTLBVRKJRS-UHFFFAOYSA-N 440.550 5.031 30 10 IKEE Cc1ccc(/C=N/[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1 15770486 NYKIAINNYUYJEB-AWSUPERCSA-N 425.555 7.166 30 10 IKEE CCc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2c[nH]c3ccccc23)cc1 20882602 PPPXKBJKTJNFHZ-OLILMLBXSA-N 433.555 6.710 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2)cc1OC 21234621 NJEIRUGYKXUSIN-NGOKVRLYSA-N 440.543 6.073 30 10 IKEE CN(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2F)cc1 21259801 WCBYTIXXHXMBHF-CLYVBNDRSA-N 427.523 5.871 30 10 IKEE Cc1ccc(C[C@H](C#N)Sc2nnc(COc3ccccc3C)n2-c2ccccc2)cc1 24729760 SSBJMCPGIIMVRU-HSZRJFAPSA-N 440.572 5.690 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(Br)cc4)ccc3C2=O)cc1 33368879 GKGIITGEUYGNTB-XKZIYDEJSA-N 449.300 5.847 30 10 IKEE O=C1NC(=N/c2cccc(O)c2)/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)S1 33567918 NJZPZEGZIZHTRN-WQRHYEAKSA-N 430.407 6.199 30 10 IKEE COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2Cl)C3=O)c1 33812455 PPGVPWJDIVUPEF-FBHDLOMBSA-N 441.266 5.837 30 10 IKEE COc1cccc(/C=C2/Sc3ccccc3C2=O)c1OCc1ccc(Cl)cc1Cl 33922175 BOLZBKPITIHMJR-SRZZPIQSSA-N 443.351 6.911 30 10 IKEE CCOc1ccc2oc(C)c(C(=O)Oc3ccc(C(=O)/C=C\c4ccccc4)cc3)c2c1 34954042 RNSZYVNRTCSJAJ-DHDCSXOGSA-N 426.468 6.255 30 10 IKEE Cc1cccc(/N=C2/S/C(=C\C(Cl)=C\c3ccccc3)C(=O)N2c2ccccc2)n1 39863581 DXKFZXIIQKFURO-KUVJQCTGSA-N 431.948 6.321 30 10 IKEE CN(Cc1ccccc1)Cc1c(O)ccc2c1O/C(=C\c1ccccc1OC(F)F)C2=O 41514720 JAHZOXZOLYYSKF-XKZIYDEJSA-N 437.442 5.242 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc3nc(-c4cccc(OC)c4)oc3c2)c1 62050167 QOPFQDAYUUOJEU-UHFFFAOYSA-N 441.531 6.593 30 10 IKEE O=C(/C=C\c1ccc2nccnc2c1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O 97054151 OXGYPQSHKDDGJO-XFFZJAGNSA-N 437.886 5.688 30 10 IKEE CCCCCCCCCCCCCCCCNCC(=O)Nc1ccc(OCC(C)C)cc1 100055672 KOWJSNSXULMMJO-UHFFFAOYSA-N 446.720 7.731 30 10 IKEE CCCCCCCOc1cccc(NC(=O)CNc2cccc(OC[C@@H]3CCCO3)c2)c1 100091141 SPLIRDCUMCCZBZ-VWLOTQADSA-N 440.584 5.644 30 10 IKEE O=C1/C(=C\c2cccc([N+](=O)[O-])c2)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 100481630 LYFALZGRIMQGOA-LBMUFILHSA-N 429.501 5.268 30 10 IKEE CCCCCCCCCCCCCCCCCCN(C)C(=O)N[C@H]1CCS(=O)(=O)C1 100839066 VTIOISNRROWDPR-QHCPKHFHSA-N 444.726 6.076 30 10 IKEE CCCCCCCCCCCC(=O)NC[C@@H](C)NC(=O)CCCCCCCCCCC 108862805 OKKKJZZCJNGBCN-RUZDIDTESA-N 438.741 7.449 30 10 IKEE CC(C)Oc1c(Cl)cc(/C=N\n2c(S)nnc2CCc2ccccc2)cc1Cl 169911337 XVPJLVMXVADYDI-FMCGGJTJSA-N 435.380 5.328 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc([N+](=O)[O-])cc2)=C(N(C)Cc2ccccc2)C1=O 169979169 WWDCYTFZNSSBAV-UHFFFAOYSA-N 449.551 5.167 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccccn2)cc1 169991777 UETMHLWPPFMDLE-DEOSSOPVSA-N 426.516 5.550 30 10 IKEE Cn1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2C2CCCC2)c2ccccc21 170085718 QMSZWNOJCLVDHV-DEOSSOPVSA-N 440.499 5.445 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@H]2c2ccco2)c1 170092511 ZYKAHXWZQGUKRV-FQEVSTJZSA-N 425.843 5.472 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccco2)cc1C 170096022 ZWDZAWQDCUXPBZ-DEOSSOPVSA-N 440.499 5.199 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(N(C)C)cc1 170129253 JFCAFOPVDUPLGE-LJQANCHMSA-N 433.335 5.048 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccc(O)cc2)cc1C 170133573 QAXXKRNQYOKBNX-XMMPIXPASA-N 443.499 5.191 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccccn2)c1 170173449 DUJDGMSIWLXKRF-QFIPXVFZSA-N 448.906 5.305 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2cccnc2)cc1C 170187164 OAZKMNSQHCRFOP-VWLOTQADSA-N 434.495 5.635 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccnc2)cc1C(C)C 170188072 SVFHVSVMKHEZAH-DEOSSOPVSA-N 442.515 5.305 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccncc2)ccc1Cl 170200671 BSCLZLUGPLWOSS-QFIPXVFZSA-N 448.906 5.225 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccncc2)cc1C 170203855 ZVCVYKWVMGCJBU-QFIPXVFZSA-N 448.906 5.225 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(OCC(C)C)c1 170219008 GUJOHHGICSLWHB-NRFANRHFSA-N 427.928 5.363 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)c(OC)cc3C)[C@@H]2c2ccccc2)cc1 170224464 GVOUPNZDXIBFJA-VWLOTQADSA-N 441.527 5.657 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1C 170226628 OLKUFWIWTASFTD-HSZRJFAPSA-N 447.918 5.830 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(Cl)cc1 170236505 GAZCUVNTWHPXMA-JOCHJYFZSA-N 441.955 5.672 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@H]1c1ccc(C(C)C)cc1 170245237 BWWCYNMXPBWJLT-RUZDIDTESA-N 449.591 6.320 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1ccccc1F 170251969 RQPNMONQLRUTOQ-QFIPXVFZSA-N 439.527 5.046 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccc(O)c2)c1 170256731 JJJJNGCYIXXOSO-QFIPXVFZSA-N 449.528 5.019 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1cccc(O)c1 170263505 SRIMPEAQRLGFAS-HSZRJFAPSA-N 437.536 5.196 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccccc2C)c1 170271616 DAOLKRRTFOKTPT-AVRWGWEMSA-N 439.511 5.410 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccco2)c1C 170286085 ODXSRCYVWNZMRE-CMJOXMDJSA-N 429.472 5.003 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccco2)cc1C(C)(C)C 170289991 IRYJUHKQWXGKOE-QHCPKHFHSA-N 445.515 5.677 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(C)o2)cc1 170300848 JNOAUQZFLWRARY-FYSMJZIKSA-N 443.499 5.257 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCO3)=C(O)C(=O)N1c1ccc(F)cc1 170314051 LAEAAAGYGSSTJL-NRFANRHFSA-N 449.503 5.304 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1sccc1C 170315246 ZTLCBEPLJWOSAU-OAQYLSRUSA-N 433.529 5.465 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2c(C)[nH]c3ccccc23)c1 170403208 CVOGJYAMBWAZMQ-QHCPKHFHSA-N 442.540 5.938 30 10 IKEE COc1ccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(OC(F)(F)F)cc2)cc1 170426370 AAQHUMWVCDWRAM-HXUWFJFHSA-N 449.425 5.109 30 10 IKEE C=C1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 207643530 XWVVPZWKCNXREE-MCZAMMMRSA-N 440.668 6.764 30 10 IKEE O=[N+]([O-])c1ccc(-c2ccc(C=Nc3c(-c4ccco4)nc4ccccn34)o2)c(Cl)c1 252622659 NZUWERNBMZBVHC-UHFFFAOYSA-N 432.823 6.167 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccccc2OCC)nnc1-c1ccc2ccccc2c1 253569297 MECIFIOPBYCNJU-UHFFFAOYSA-N 444.560 5.414 30 10 IKEE O=C(Nc1sc(NN=C/C=C\c2ccccc2)nc1-c1ccc(F)cc1)c1ccccc1 254378610 TYDQMROCRGEKDP-JAGUFZAFSA-N 442.519 6.313 30 10 IKEE C[C@H]1Sc2ccc(C(=O)N3CCCSC3=Nc3ccccc3Cl)cc2NC1=O 254404264 UZPXJLAXWIVHQM-GFCCVEGCSA-N 431.970 5.040 30 10 IKEE COc1ccc(C=Nn2c(SC)nnc2C(F)F)cc1COc1cc(C)ccc1C 254485670 JZUDKBAQVYPRLN-UHFFFAOYSA-N 432.496 5.024 30 10 IKEE COc1ccc(N=Cc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1Cl 254525139 UDJHRQYDCKKPSP-UHFFFAOYSA-N 433.722 6.658 30 10 IKEE COc1ccccc1CON=C(C)c1cc(-c2ccc(F)cc2)n(-c2cccc(C)c2)c1C 254706174 KSAVSOGBECVXDD-UHFFFAOYSA-N 442.534 6.850 30 10 IKEE COc1cc(-c2n[nH]c(=S)n2N=Cc2ccc(-c3ccccc3)cc2)cc(OC)c1OC 254820962 NEGFPUAOZJOOMU-UHFFFAOYSA-N 446.532 5.183 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@H]2Nc1cc(Br)ccc1C#N 312185627 SUUGKEFWGHJLNO-SFHVURJKSA-N 428.330 5.767 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(Cl)cc2)c1 526485630 FZIKHQYNUUONCV-DEOSSOPVSA-N 444.918 6.058 30 10 IKEE COc1ccc2c(c1)c([C@H]1C(c3cccs3)=C(O)C(=O)N1c1ccccc1C#N)cn2C 526607606 ZFQNGJROHZICMQ-QHCPKHFHSA-N 441.512 5.177 30 10 IKEE CCCOc1ccc(/C=N\n2c(CCC)nnc2SCc2ccccc2)cc1Cl 526800692 WHQSVURFIZRZGB-IWIPYMOSSA-N 428.989 5.847 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1cccc(OCC)c1O 526817278 ZLIAQGLQROZRHA-QRVIBDJDSA-N 430.961 5.163 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2cc(C)ccn2)cc1 586235999 JQPVAFDLXFQQDY-UHFFFAOYSA-N 447.604 5.780 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCCc2ccccc21 698480854 CDQFEYNWIAYLJS-JOCHJYFZSA-N 427.342 5.946 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)c2ccc(Br)cc2F)cc1 698923719 RKGRGBRJSULTAQ-NRFANRHFSA-N 433.321 6.077 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(C)ccc(Br)c1F 721193496 PDKRCACNYDNCPI-VQIMIIECSA-N 443.401 5.797 30 10 IKEE CC(/C=N\N=C1/S/C(=C\c2ccc(F)cc2)C(=O)N1Cc1ccco1)=C\c1ccccc1 1554646348 DFZATLBSPNDLAM-OFSQMATGSA-N 445.519 5.981 30 10 IKEE Cc1ccc(-c2ccc(/C=C3\SC(=Nc4nc(C)cs4)N(C)C3=O)o2)c([N+](=O)[O-])c1 1772734575 NLLGWXWHJAYJNW-AXUMHFPESA-N 440.506 5.162 30 10 IKEE CC(C)c1ccc(/C=C2\SC(=Nc3cccc(C(=O)O)c3)N(c3ccccc3)C2=O)cc1 1772735152 IGMPMGLOQJJAEB-VRXUDNSFSA-N 442.540 6.317 30 10 IKEE O=C1CSC(=NN=c2oc3ccccc3cc2-c2ccc(Cl)cc2)N1c1ccccc1 1772743135 ZVNXCPJXAKGXTA-UHFFFAOYSA-N 445.931 5.705 30 10 IKEE O=C1/C(=C\c2cccs2)SC(=NN=Cc2ccc(Cl)cc2)N1Cc1ccco1 1772758331 RPMGJBOJZVEQRM-YCDITFNJSA-N 427.938 5.501 30 10 IKEE S=C(N/N=C/c1cn(CCOc2ccc(Cl)cc2)c2ccccc12)NC1CCCC1 1860498903 YPORAFJEVCZVDI-MFKUBSTISA-N 441.000 5.114 30 10 IKEE CCCOC(=O)c1cccc(CSc2nc(O)c(C#N)c(-c3ccccc3Cl)n2)c1 1860825248 VNBBJMLAPWAGRV-UHFFFAOYSA-N 439.924 5.233 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2cccc(O)c2)cc1C 1862400285 AOKAYZVDQRWNKP-QHCPKHFHSA-N 435.520 5.010 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCC(C)C)cc1 1862403600 ADVHKCQNEUOUJN-HSZRJFAPSA-N 437.536 5.027 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2cc(Cl)cc(Cl)c2)cc1C 1862408592 PNWZBNCCKDUKNE-FQEVSTJZSA-N 448.346 5.545 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCc2ccccc2)cc1 1862413146 WREWAEYJQZXIIE-HSZRJFAPSA-N 433.454 5.094 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1CCOc1ccccc1 1862442727 KPPKGFWKOZGFGV-QHCPKHFHSA-N 447.918 5.306 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCc2ccccc2)c1 1862445609 ZQJPPOIURGDGEG-QHCPKHFHSA-N 447.918 5.170 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2ccccc2Cl)cc1 1862476985 RCNBKZJILXVYSP-XMMPIXPASA-N 445.946 6.044 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862477129 IJMZQGNOHLEDNI-AVRWGWEMSA-N 436.511 5.816 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(F)cc1F 1862478073 YGPAKRCHDMTIED-QFIPXVFZSA-N 443.490 5.058 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc3c(c2)CCCN3C)c1 1862498528 KJKWSCGNCKANLT-RUZDIDTESA-N 444.575 5.207 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(OC)c(O)c1 1862505003 IBZUAQOGFNVVLF-QFIPXVFZSA-N 441.499 5.007 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2c(F)cccc2Cl)cc1 1862518711 QYQMQRXOBHISID-SZNDQCEHSA-N 445.918 5.645 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc(C)cc2)cc1F 1862636809 OSVWVNOAWRZCGD-YBVWCTEOSA-N 437.511 5.300 30 10 IKEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(C)cc1 1862648536 DOIZAUXGVMMGME-RUZDIDTESA-N 442.559 5.068 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C(C)C)cc1 1862658010 MHXWFHRZMDWNEY-RUZDIDTESA-N 443.543 6.005 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(CC)cc1 1862674627 ZNBHVJJJAYZMTP-VWNXMTODSA-N 437.555 6.325 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@@H]1c1ccccc1Cl)c1ccc(F)cc1 1862675338 IGQQSEXFAQNJJW-JOCHJYFZSA-N 441.930 6.170 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccccc2F)cc1 1862686932 CYKYRMFVMHWRGM-HJPURHCSSA-N 431.463 5.174 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc(Cl)c1 1862712728 YGXXWXCJAQVNKC-JOCHJYFZSA-N 435.907 5.108 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 1862741137 LRFNXVWEBVZQQG-HXUWFJFHSA-N 440.883 5.159 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1cc(Cl)c(O)c(Cl)c1 1866029995 SUBSOLHTODSERC-UHFFFAOYSA-N 444.487 8.899 30 10 IKEE CCCC[C@H](NC(=O)C[C@H](c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1cccc(C#N)c1 1866728579 ZUXIWLIDODMVEV-DQEYMECFSA-N 431.580 5.373 30 10 IKEE CCCc1nc(Nc2ccccc2C#N)cc(N2CCO[C@H](c3ccc(Cl)cc3)C2)n1 1868398398 MCUDJAMVUVDYGM-NRFANRHFSA-N 433.943 5.276 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3cc(OC)ccc3[C@@H]2C)nc(-c2ccc(F)cc2)n1 1869273437 VBGXVUQRJVXAIB-IBGZPJMESA-N 444.554 5.593 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)c2cccc(Oc3ccccc3)c2)n(C(C)(C)C)n1 1870000167 FKQFBSUTGIAZLT-UHFFFAOYSA-N 431.540 5.256 30 10 IKEE CC(C)c1ccc(/C=C/C(=O)Nc2c(C#N)nnn2Cc2ccc(Cl)cc2Cl)cc1 1870107535 MWTPNJQXFSRJQD-BJMVGYQFSA-N 440.334 5.280 30 10 IKEE CCCCCCCCn1cc(OCCCCCC)c(=O)cc1CSc1ccccn1 1870186133 CHDBMYRKVDHMCV-UHFFFAOYSA-N 430.658 6.855 30 10 IKEE CCCCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CSc1nnnn1C 1870235031 CQYOTGVAWNQNIR-UHFFFAOYSA-N 449.665 5.230 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCCCCCC)cn1CCCCN1CCCC1 1870414345 MGNSXUAIWBDJPW-UHFFFAOYSA-N 443.676 5.248 30 10 IKEE CCCCCCCCCCn1cc(OCCCCC)c(=O)cc1CN1C[C@H](C)C[C@@H](C)C1 1870678739 JRKSESMCNPAAEK-JWQCQUIFSA-N 446.720 7.036 30 10 IKEE C=CCOc1cn(CCc2c[nH]c3ccccc23)c(CNc2cccc(C)c2C)cc1=O 1870808796 BLFDIFMGRPRBGQ-UHFFFAOYSA-N 427.548 5.366 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2)c(CNc2cc(C)cc(C)c2)cc1=O 1870833871 YDDQOCMQNXLQBU-UHFFFAOYSA-N 432.608 6.475 30 10 IKEE CCCCCCCCn1cc(OCCC(=O)OCC)c(=O)cc1CNc1cccc(C)c1 1870878476 QNIMGEFYLIRJAA-UHFFFAOYSA-N 442.600 5.461 30 10 IKEE C#CCOc1cn(CCCCc2ccccc2)c(CNc2ccc(F)c(Cl)c2)cc1=O 1871006942 CPCGVMRKMOYVQO-UHFFFAOYSA-N 438.930 5.288 30 10 IKEE CCCCCCCCn1cc(OCCc2ccccc2)c(=O)cc1CNc1ccccc1 1871143163 ZBZPWQSLAJSNOA-UHFFFAOYSA-N 432.608 6.442 30 10 IKEE CCCCCCCCCCN=c1nc2c(cnn2C)c(Nc2cc(Cl)ccc2Cl)[nH]1 1871298647 FSODXAUBWDEXQP-UHFFFAOYSA-N 449.430 6.388 30 10 IKEE CCCCCCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(C(C)(C)C)cc1)C3=O 1871349744 ZFTQTXAARJJDNX-ITYLOYPMSA-N 447.619 7.113 30 10 IKEE CCCCC[C@@H](CC)N1COc2c(cc3c(c2C)O/C(=C\C=C\c2ccccc2)C3=O)C1 1871353770 ZTNPBYGJRZPXNT-VDUWDGCYSA-N 431.576 6.678 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3cccc(C)c3)C4)C2=O)cc1 1871359590 RNDFOPYSNKLXRN-MXAYSNPKSA-N 441.527 5.670 30 10 IKEE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2OC)C3=O)cc1 1871376846 HDVXPSWRPFVXLM-QJYQMIDQSA-N 442.467 5.247 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc(OC(=O)c3ccc(/C=C/C(=O)O)cc3)c2C)C1=O 1871381888 HKNQDSVGZJJRFR-RKJRYWECSA-N 446.480 5.298 30 10 IKEE CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(C)cc1)C2=O 1871403101 RLNUZUWYQWWFMG-AOBKZXEFSA-N 443.499 5.416 30 10 IKEE COc1ccc(OCCOc2ccc3c(c2C)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1 1871415223 WDONRDJNEVQWJL-ONUIUJJFSA-N 444.527 6.201 30 10 IKEE CCCCCCCCN=c1nc(N(CC)CCCC)[nH]c(=Nc2cccc(C)c2C)[nH]1 1871590762 KSJFJSZAIOFDCW-UHFFFAOYSA-N 426.653 5.475 30 10 IKEE C=CCNC(=O)c1ccc2nc(-c3ccc(OCc4cccc(Cl)c4)c(OC)c3)[nH]c2c1 1872730065 JHTZARUNGPULIA-UHFFFAOYSA-N 447.922 5.387 30 10 IKEE C=CCOc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2ccc3ccccc3c2)cs1 1872760638 UHFAAEBBWYCUOX-OAQYLSRUSA-N 440.524 5.783 30 10 IKEE CCOc1ccc(CCC(=O)[C@@H](C#N)c2nc(-c3cccc(OC)c3)cs2)cc1OC 1872762509 OUHNKWDOKCKINI-LJQANCHMSA-N 436.533 5.035 30 10 IKEE N#C[C@@H](C(=O)C12CC3CC(CC(C3)C1)C2)c1nc(-c2cccc(Br)c2)cs1 1872763548 ORYCXIQTQOFHID-CTEACUEPSA-N 441.394 5.965 30 10 IKEE C[C@H](c1ccccc1)N1C[C@H](C(=O)[C@@H](C#N)c2nc(-c3cccc(Cl)c3)cs2)CC1=O 1872766895 QCJLCYJRVGFJDL-XFQXTVEOSA-N 449.963 5.249 30 10 IKEE Cc1cc(-c2csc([C@H](C#N)C(=O)/C(=C\c3ccccc3)c3ccccc3)n2)ccc1F 1872771858 DIMRWXOLBWINBO-UAPYWLNTSA-N 438.527 6.675 30 10 IKEE CCCCCCOc1ccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)cc2)cc1 1872869461 CKCFZTJPUNTJMV-UHFFFAOYSA-N 428.532 6.349 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cccc(Cl)c2)=C(c2cccnc2)C1=O 1873265289 BZNQGFKYKXYHDM-UHFFFAOYSA-N 439.987 6.068 30 10 IKEE CCCCCCN1C(=O)C(Nc2cccc(C#N)c2)=C(c2cccc(Cl)c2Cl)C1=O 1873340590 GBMIZMSUNVLPFA-UHFFFAOYSA-N 442.346 5.637 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)Nc1cccc(OC)c1)n2C 1873629034 HIMCSAWEWKFEDR-UHFFFAOYSA-N 437.588 5.782 30 10 IKEE C=C(C)CSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1cc(C)ccc1O 1874255218 PWCRPRYNBWTNRV-BRJLIKDPSA-N 436.581 5.347 30 10 IKEE Fc1cccc(CSc2nnc(Cc3ccc(Cl)cc3)n2/N=C/c2ccco2)c1 1874336976 QOOWFEVKVJSFSE-ZMOGYAJESA-N 426.904 5.429 30 10 IKEE Fc1ccccc1CSc1nnc(CCOc2ccccc2)n1/N=C/c1cccs1 1874346489 RKRNKVJSVXXLML-BUVRLJJBSA-N 438.553 5.275 30 10 IKEE CCCSc1nnc([C@@H]2CCCO2)n1/N=C/c1ccc(OCc2ccccc2C)cc1 1874448413 AZSOZMKQEYKVOE-LWROZRRASA-N 436.581 5.401 30 10 IKEE Oc1ccc(Cl)cc1/C=N/n1c(SCc2ccc(F)cc2)nnc1-c1ccco1 1874465342 DRBFDBWGEAFSDX-FOKLQQMPSA-N 428.876 5.211 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1c[nH]c2ccccc12 1874528045 PZWINCRXTKLTDG-BHGWPJFGSA-N 430.364 5.803 30 10 IKEE CCSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1/N=C/c1ccccc1C 1874540599 SUDZUXTZDSTQAK-ZVHZXABRSA-N 449.407 5.899 30 10 IKEE O=C(/C=C/c1c(OCc2cccc(Cl)c2)ccc2ccccc12)c1cccc([N+](=O)[O-])c1 1874569752 FOOGKXLQNYJNFW-OUKQBFOZSA-N 443.886 6.877 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1OCCc1ccccc1 1874569880 JOSBLVFHYLUIQI-ZHACJKMWSA-N 437.879 5.774 30 10 IKEE COC(=O)COc1c(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc(Cl)cc1OC 1874573197 AKEQNRJRBYXSAG-ZZXKWVIFSA-N 429.683 5.103 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCc2cccc(F)c2)cc1 1874577861 JORRULDOQPNLHE-FMIVXFBMSA-N 440.898 6.362 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(F)c(C)c2)c1OCc1cccc(Cl)c1 1874581317 HQNTXBUPOGQLIT-VQHVLOKHSA-N 445.317 6.925 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2ccc(OC)c(OCc3ccccc3)c2)cc1Cl 1874598856 INVLTXWQJHBUEK-PKNBQFBNSA-N 438.907 5.841 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OCc3nc(O)c4ccccc4n3)c(Cl)c2)c1 1874604938 AVVLIIRDSFZSNN-PKNBQFBNSA-N 446.890 5.473 30 10 IKEE Cc1ccc(C)c(COc2ccc(/C=C/C(=O)c3ccc(Cl)cc3Cl)cc2Cl)c1 1874605865 JPHINCQVODBVHL-WEVVVXLNSA-N 445.773 7.739 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccccc1F 1874606528 STAQYQUNKXRHPR-UXBLZVDNSA-N 431.290 6.616 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1 1874609557 YGEWCJOWWCLOIQ-WUXMJOGZSA-N 435.907 5.571 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(C)c3)cc2)cc1OCCC 1874612938 SZCGIALCGNKSAM-RVDMUPIBSA-N 444.571 7.048 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1F 1874623691 QGQNLVNNZLVYLA-JXMROGBWSA-N 449.478 5.065 30 10 IKEE CCCOc1c(Cl)cc(/C=C/C(=O)c2cc(Cl)c(OC)cc2OC)cc1OC 1874631374 YUALVLSWVMDQSI-VOTSOKGWSA-N 425.308 5.704 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2Cl)c(C)c1 1874631755 SBSMSHNHNUKBKS-YRNVUSSQSA-N 447.962 6.487 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cccc(OC(=O)c2ccc(Cl)c(Cl)c2)c1 1874698795 OLOYVTVSUQRYSR-FMIVXFBMSA-N 427.283 6.117 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc2c(c1)OCO2 1874707829 YPZRTLFLJJKIAS-XBXARRHUSA-N 441.266 5.837 30 10 IKEE O=C(COc1cc(Cl)ccc1Cl)Oc1cccc(/C=C/C(=O)c2ccc(F)cc2)c1 1874708824 WOBLMWZFJRMQOG-NYYWCZLTSA-N 445.273 6.013 30 10 IKEE O=C(Cc1ccccc1Cl)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1 1875097192 YUVQRCDRYYKZHL-LFIBNONCSA-N 430.931 6.263 30 10 IKEE O=C(Cc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1Cl 1875104736 LXBUYNRIOFNISY-UXBLZVDNSA-N 445.729 6.691 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2Br)cc1C 1875128038 KKEHGMAFURUHNH-FMIVXFBMSA-N 435.317 6.181 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)COc1ccc(C)cc1C 1875128578 KKNJAANDEIMVTJ-ACCUITESSA-N 430.500 5.583 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3C)c([N+](=O)[O-])c2)c(C)c1 1875134605 AZNQBXHBIGYVNI-UKTHLTGXSA-N 443.499 5.954 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)c1ccccn1 1875139824 BXEJKIQIHUFXKP-OUKQBFOZSA-N 427.500 5.551 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2cc3ccccc3n2C)cc1 1875143711 MXMCIZGIXQXPCT-SDNWHVSQSA-N 425.484 5.611 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccnc3)c([N+](=O)[O-])c2)cc1 1875148625 RATJNOFUQUSPNZ-WUXMJOGZSA-N 430.460 5.403 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)CC(C)(C)C 1875156912 OJFXXUDHUQACJP-MDWZMJQESA-N 442.983 7.100 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)c1ccccc1C 1875160045 XKPKCIFEYZUPQQ-MDWZMJQESA-N 438.882 6.302 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)c1ccc(C)cc1 1875166970 XAMCLMUOMITGKV-MDWZMJQESA-N 430.500 5.744 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OC(=O)CCOC 1875170261 OOTHPLNCNMMBRE-ZHACJKMWSA-N 436.548 5.495 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)c(C)c3)cc2)c(OC)c1 1875179108 SWGSCXQTIKLGKH-NTUHNPAUSA-N 434.463 5.196 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3F)cc21 1890500055 RYFWTEOWWCAQSF-UHFFFAOYSA-N 436.405 5.034 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC[C@H](NC(=O)OC(C)(C)C)c1ccccc1)NCC 1922105102 VNGIDZDLRBJKFZ-DQEYMECFSA-N 438.612 5.784 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1cccc(C)c1I 1922109776 GSERQGLSJFIFEW-NRFANRHFSA-N 435.349 5.413 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCCC2(CCC2)[C@]1(C#N)N(CC1CC1)C(=O)OC(C)(C)C 1924834209 WJTXFECQWCYXRJ-UQBPGWFLSA-N 447.620 5.391 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@@H]1Nc1ccc(Br)cc1C#N 1924915298 RIEQYOWJESDVPY-KBXCAEBGSA-N 434.378 5.206 30 10 IKEE C#CCC1(NC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)CCCC1 1984723916 FTIPMDORHABHAZ-VWLOTQADSA-N 444.575 5.002 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)[C@H]1C[C@@H]2C[C@@H]2C1 2004665857 PUZDBZLUPRAJCA-HTUFRPJOSA-N 428.617 5.067 30 10 IKEE CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2033649342 JXZRUSUEUWJSQY-FXAWDEMLSA-N 449.567 5.646 30 10 IKEE C[C@@H](CC(C)(C)C#N)Nc1cc(Br)c(Br)c(Br)c1 2034335623 UHPVXTWWHOEXLF-QMMMGPOBSA-N 438.989 5.714 30 10 IKEE C=C([C@H](NCCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)C(C)(C)C 2035436471 YRAQOMAOYUWERL-QHCPKHFHSA-N 443.676 5.516 30 10 IKEE Cc1nn(Cc2ccccc2Cl)c(C)c1C=CC(=O)OCc1cn2ccccc2c1C#N 2042449517 BBKKVOMIOPIKSB-UHFFFAOYSA-N 444.922 5.083 30 10 IKEE CCN(CC)S(=O)(=O)c1ccc(-c2ccc(C=CC(=O)c3ccc4c(c3)CCC4)o2)cc1 2053589700 UWMDBPRMVGPJSZ-UHFFFAOYSA-N 449.572 5.362 30 10 IKEE CC#CCCCC[C@@H](NCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2075371525 YTSQAALFJDEBIN-XMMPIXPASA-N 441.660 5.108 30 10 IKEE Cc1cc(C)c([C@H](C2CCC2)n2nc(C(C)C)c(C#N)c2I)cc1C 2079138592 KOIVBENTZGSLAH-FQEVSTJZSA-N 447.364 5.798 30 10 IKEE Cc1ccc([C@@H](C(C)C)n2nc(C(C)(C)C)c(C=NO)c2Br)c(F)c1F 2079940035 WEKHDYCDWXAXOB-MRXNPFEDSA-N 428.321 5.583 30 10 IKEE COc1ccc([C@H](n2nc(C3CCC3)c(C=NO)c2Br)C(C)(C)C)cc1C 2079985907 MZDIFIYMODVCKR-IBGZPJMESA-N 434.378 5.674 30 10 IKEE CCc1nn([C@H](c2ccc(C(F)(F)F)cc2)C2CCC2)c(Br)c1C=NO 2080047699 IGTLNYFTRYWYSR-INIZCTEOSA-N 430.268 5.424 30 10 IKEE CC1([C@H](c2ccc(C(F)(F)F)c(F)c2)n2nc(C(F)(F)F)c(C(=O)O)c2Cl)CC1 2080048307 QLNAEDJHMRLSKX-LBPRGKRZSA-N 444.734 5.801 30 10 IKEE COc1ccc([C@@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C(C)(C)C)c(F)c1 2080064468 SYTXFXLZVMAQQP-QGZVFWFLSA-N 438.341 5.288 30 10 IKEE Fc1c(-c2c(C(F)(F)F)nn3c(Cl)c4c(nc23)CCOC4)cccc1C(F)(F)F 2081431375 TXPXJKBTWLPWOT-UHFFFAOYSA-N 439.718 5.299 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)c(Cl)c1 2103300015 MXWUXAFMYVOYTO-ROUUACIJSA-N 443.813 5.450 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCCC[C@H]1C(F)(F)F 2144654895 QGRFSFMJHKGYSW-CRAIPNDOSA-N 447.295 6.205 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]2CC[C@@]21CNc1cc(Br)cc(F)c1C#N 2163688814 WWXDEGCLFTUIID-RNODOKPDSA-N 438.341 5.051 30 10 IKEE COc1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)ccc1Br 2192141068 XTEFPTHHICGHFI-QGZVFWFLSA-N 435.293 5.603 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(F)c(Br)c(F)c1 2207151656 QWJCPMQRFVTGPI-WMZOPIPTSA-N 447.364 5.628 30 10 IKEE C=CCCCCCCCC(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2214618906 RUNSQVWCDRYUIW-SANMLTNESA-N 428.617 5.642 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Cl)cc(Cl)c1Cl 2235580940 IGXYFLIOTNKFIV-WMZOPIPTSA-N 435.823 6.547 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc(CC[C@H](O)C#Cc2ccccc2Br)c1 2235740424 OMFRSJYPZYEIIR-IBGZPJMESA-N 430.342 5.141 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)C[C@@H]2CCCC[C@@H]21 2259968134 LWNMPTVQHXAWAF-TTZMFTMZSA-N 442.644 5.601 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)c1c(F)c(F)c(Br)c(F)c1F 2267839941 XPMNGZQCECSHSR-QMMMGPOBSA-N 440.231 5.048 30 10 IKEE C#C[C@H](C)[C@H](OCCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2275035954 ZNEPGRVQLHSPJW-KMRXNPHXSA-N 444.527 5.646 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Cl)cc([C@H](O)C#Cc2ccc(Br)cc2)c1 2278794063 RRHCIUSKJJCKRM-GOSISDBHSA-N 436.733 5.535 30 10 IKEE CCc1ccc(S(=O)(=O)N=C2C=C(Sc3ccc(C)cc3)C(=O)c3ccccc32)cc1 2293092036 RLIXDMXDGVQSQG-UHFFFAOYSA-N 447.581 5.608 30 10 IKEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H](C)CCC[C@H](C)NC(=O)OC(C)(C)C 2296288643 JFGPOUPWSQESJI-ABSDTBQOSA-N 437.422 5.108 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(CSc3nc4ccccc4s3)c2)cc1 2297316097 NWADAAJTZZPBKO-UHFFFAOYSA-N 447.581 6.502 30 10 IKEE CCOc1ccc(C=C2SC(=Nc3cccc(Cl)c3Cl)NC2=O)c2ccccc12 2313511407 OTJGCGLEXCZTRA-UHFFFAOYSA-N 443.355 6.437 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)c4ccccc4Br)ccc3C2=O)c1 2314437189 FXOUWRGYSAHCRS-UHFFFAOYSA-N 435.273 5.593 30 10 IKEE Cc1ccc(-n2c(C)cc3c2CC(C)(C)CC3=NOC(=O)C=Cc2ccccc2)cc1C 2314524226 QLCSDOKAYFSWCI-UHFFFAOYSA-N 426.560 6.336 30 10 IKEE CCCCOc1ccc(C=C2SC(=Nc3cccnc3Cl)N(CC)C2=O)cc1OC 2314539767 AHYPKQXGCLFRLT-UHFFFAOYSA-N 445.972 5.546 30 10 IKEE CCN1C(=O)C(=Cc2ccccc2OCc2ccccc2Cl)SC1=Nc1cccnc1 2314540854 ABKCLRMVCBHTIQ-UHFFFAOYSA-N 449.963 5.938 30 10 IKEE CCCCc1nnc(SCc2cccc(C(=O)OC)c2)n1N=Cc1ccc(CC)cc1 2318572033 YPMPGLXQZTYLII-UHFFFAOYSA-N 436.581 5.144 30 10 IKEE CCCOc1ccc(C=NNc2oc([C@H]3C[C@@H]3c3ccccc3)nc2C#N)cc1OCC 2320836906 DVHDFXMCQVEHIX-UXHICEINSA-N 430.508 5.451 30 10 IKEE Sc1nnc([C@@H]2CCCO2)n1N=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 2321935004 IKNJFUDJFQZZHD-SFHVURJKSA-N 449.363 5.186 30 10 IKEE O=C1C(=Cc2c(F)cccc2Cl)Oc2c1ccc1c2CN(Cc2ccccc2F)CO1 2322054685 LGGFFUOXYGNNGK-UHFFFAOYSA-N 439.845 5.587 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2nccs2)c(C)c1 2322948990 IOWIGRYBLPUTSX-UHFFFAOYSA-N 440.952 5.635 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1 2323135368 HSFZFIVHBZRWKM-UHFFFAOYSA-N 429.516 5.616 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OCC(=O)Nc3c(C)cccc3C)c2)cc1C 2323323663 QXKJZZGGGOTMLH-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE CCCOc1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccco2)C3=O)cc1 2323460394 DNKDRJALXNBBHH-UHFFFAOYSA-N 430.456 5.612 30 10 IKEE Cc1c(OC(=O)c2cccc(OCC(C)C)c2)ccc2c1OC(=Cc1ccccn1)C2=O 2323580456 SSVORWIKIQNXJU-UHFFFAOYSA-N 429.472 5.260 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(OC(=O)C=Cc4ccccc4)c3C)C2=O)cc1 2323745883 LLTFOIIQCWOBBW-UHFFFAOYSA-N 426.468 5.629 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(OCC)cc2)C3=O)c1 2323854284 FOXHEKWYKRFYNG-UHFFFAOYSA-N 442.467 5.486 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OCc1cccc2ccccc12 2323959325 DUBPVUSWIBHDTH-UHFFFAOYSA-N 436.551 7.330 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OCc1cc(C)ccc1C 2323959943 IEYULQISNWZZFS-UHFFFAOYSA-N 440.583 7.132 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc([N+](=O)[O-])c1OCc1ccccc1 2323983511 UKMUMLDMRZOMFG-UHFFFAOYSA-N 435.451 5.916 30 10 IKEE Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2sccc2C)C3=O)c(C)c1 2324331644 ACYKHXPJBLWCDJ-SFHVURJKSA-N 447.556 6.004 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1 2324451643 JBNVGBNIWXLUQD-INIZCTEOSA-N 447.462 5.165 30 10 IKEE COc1cccc(C=C2Oc3cc(OCCCOc4ccc(C)cc4)cc(C)c3C2=O)c1 2324545431 KBLKPBVPUYAIIS-UHFFFAOYSA-N 430.500 5.776 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OCc1ccccc1C 2324547700 WEIGGXOWUZYWOA-UHFFFAOYSA-N 430.544 6.413 30 10 IKEE C=CCOc1c(Br)cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1OC 2324583877 KTCDOXDCHGHQPU-UHFFFAOYSA-N 443.381 6.525 30 10 IKEE Cc1ccc(COc2ccc(C=CC(=O)c3cc(Cl)ccc3Cl)cc2[N+](=O)[O-])cc1 2324662115 IWWCHXXOIKDEFP-UHFFFAOYSA-N 442.298 6.685 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCc4cccc(C(=O)OC)c4)cc(C)c3C2=O)cc1 2324753072 FOHRMKUOYCLGDE-UHFFFAOYSA-N 428.484 5.539 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(F)c(F)c2F)ccc2c1OC(=Cc1ccccc1)C2=O 2325532290 FZMDCONWFQIOMK-UHFFFAOYSA-N 439.389 5.046 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)c2)cc1 2325705862 PAUICHCNJSFRAS-UHFFFAOYSA-N 444.487 5.339 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccc(C)cc1 2326091443 FKEJOYLKKSBFNG-UHFFFAOYSA-N 428.989 5.636 30 10 IKEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)CCCC[C@@]12CCN(C(=O)OC(C)(C)C)C2 2326264718 MTWNBSLXDUEDKO-IZZNHLLZSA-N 442.600 5.089 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccc(CC)cc1 2326542342 RYDLSFPORIQGNZ-UHFFFAOYSA-N 428.989 5.766 30 10 IKEE CCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1ccc(Br)cc1 2326681317 ANSCJDZTWQNGCS-UHFFFAOYSA-N 440.370 5.039 30 10 IKEE N#Cc1ccc(CSc2nnc(CCc3ccccc3)n2N=Cc2cccs2)cc1 2326684220 HAOSQAXUZUFSQS-UHFFFAOYSA-N 429.574 5.171 30 10 IKEE CCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1c(Cl)cccc1Cl 2327543720 DOEDEMSYKRFLOI-UHFFFAOYSA-N 441.771 5.812 30 10 IKEE Fc1ccccc1CSc1nnc(COc2ccccc2Cl)n1N=Cc1ccco1 2327652638 MWQFFWHGMLLJGU-UHFFFAOYSA-N 442.903 5.417 30 10 IKEE C(=Nn1c(COCc2ccccc2)nnc1SCCc1ccccc1)c1ccccc1 2329349867 PGBGCOCSSFKHJK-UHFFFAOYSA-N 428.561 5.212 30 10 IKEE C=CCSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1cccc(OC)c1OCC 2329438983 SJEDAFNPYVOCCD-UHFFFAOYSA-N 436.581 5.053 30 10 IKEE CCSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(OCc2ccccc2)cc1 2329560863 DWIQHHICEONEBV-UHFFFAOYSA-N 448.979 6.172 30 10 IKEE Cc1ccc(O)c(C=Nn2c(COc3ccccc3)nnc2SCc2cccc(F)c2)c1 2329898722 IJTJQVPVZSIMSF-UHFFFAOYSA-N 448.523 5.185 30 10 IKEE Cc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3Cl)cc2Cl)c1 2330807616 NKARWHRUMHTIFY-UHFFFAOYSA-N 445.729 7.071 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)cc(Cl)c1OC(=O)C(F)(F)F 2330971214 GPMPCAZTDGGVKQ-UHFFFAOYSA-N 428.790 5.111 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1OC 2331136159 XHLFHJFSRINKMH-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3F)c(Cl)c2)cc1 2331195019 JBBKIVINTXIFLE-UHFFFAOYSA-N 438.882 5.922 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(OCCC)cc2)cc1OC 2331294002 CVBUQYKVWAOSHW-UHFFFAOYSA-N 430.928 6.129 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)C(C)(C)C)c(OCC)c2)cc1 2331306041 CAIDLNIZWLZVGI-UHFFFAOYSA-N 444.955 6.375 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)c1ccc(C)cc1 2331328841 SOOWFXFHEFUESF-UHFFFAOYSA-N 440.539 6.464 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OC(=O)C(C)C 2331417900 ZNEPFYWNIPGDGF-UHFFFAOYSA-N 428.956 6.494 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(Cl)c3)c(OC)c2)cc1F 2331467662 RVCLJAOZHZEZMN-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE COc1cccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CCC2)c1O 2331541708 FGKJKOJBZHNGTD-UHFFFAOYSA-N 428.945 5.088 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cc(Cl)c(OC(=O)C(C)C)c(OC)c1 2331545311 XPEQYCXLVOJXLQ-UHFFFAOYSA-N 444.955 6.112 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)CC(C)C)c(OC)c2)c(C)c1C 2331608574 ISZMQYFZFKUUSL-UHFFFAOYSA-N 430.928 5.822 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)C(F)(F)F)c(Br)c2)cc1C 2331706281 XKWLSMQQBRNMHH-UHFFFAOYSA-N 427.216 5.430 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)CC(C)(C)C)c([N+](=O)[O-])c2)cc1C 2331851054 BXZBRFKJTCNFCA-UHFFFAOYSA-N 425.481 5.458 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)C3CCC3)c([N+](=O)[O-])c2)c2ccccc12 2331869421 ACJZZIOJDYQNES-UHFFFAOYSA-N 431.444 5.358 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(Nc2ccccc2Br)[C@@H]1C(F)(F)F 2370260749 JAVCHZOPKDMSQE-PBHICJAKSA-N 448.283 5.085 30 10 IKEE CC1(C)OB(c2ccc(CSc3ccc(F)cc3F)cc2Br)OC1(C)C 2377293102 FCNPANBQFVORGH-UHFFFAOYSA-N 441.146 5.319 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@@H](C#N)c1cc(F)c(Cl)cc1Cl 2377363328 QLSOYEJZDCOCLK-KRWDZBQOSA-N 429.706 6.792 30 10 IKEE COc1ccc(-c2nc(N/N=C/c3ccc(OC)cc3OC)sc2-c2ccccc2)cc1 8872769 RYPZMXSRTGJBGH-WGOQTCKBSA-N 445.544 5.949 30 10 IKEE C[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@@H]2c1ccc(F)cc1 17094854 JWFZROWXQOYMQA-WGDIFIGCSA-N 426.491 5.892 30 10 IKEE COc1ccc([C@H]2C3=C(C[C@H](c4cccs4)CC3=O)Nc3nc4ccccc4n32)cc1 17095488 DGRSBUVZBMAPHZ-FYSMJZIKSA-N 427.529 5.522 30 10 IKEE O=C1C[C@@H](c2cccc(Cl)c2)CC2=C1[C@@H](c1ccc(O)cc1)n1c(nc3ccccc31)N2 19634998 UROMXKGVJMDXEN-SSOJOUAXSA-N 441.918 5.811 30 10 IKEE COc1cc(/C=N/OC(=O)c2cccc(Cl)c2)ccc1OCc1c(F)cccc1Cl 20228628 ZWQLZLDUHNTLKR-RPPGKUMJSA-N 448.277 5.911 30 10 IKEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 20712400 HTUGUMJAIGFAJZ-ZOCZFRKYSA-N 435.376 5.284 30 10 IKEE O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccc([N+](=O)[O-])cc1)Nc1ccccc1N2 20885641 SMJGNOKPHVFSNP-CRICUBBOSA-N 445.906 6.228 30 10 IKEE Cc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(C(C)(C)C)cc2)C3)cc1[N+](=O)[O-] 21224377 UPKUYQUBHRDZDM-UYAOXDASSA-N 432.520 5.205 30 10 IKEE CCOc1cc([C@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3onc(C)c32)ccc1OC 33321071 HNDMICIJUBJPRI-MHECFPHRSA-N 430.504 5.349 30 10 IKEE O=C1/C(=C/C=C/c2ccccc2)Oc2cc(OCc3ccc(Br)cc3)ccc21 33370509 ZBRQFQMCHMEHKF-HEYHWPDRSA-N 433.301 6.201 30 10 IKEE COc1ccc(/N=C2/NC(=O)S/C2=C\c2ccc(-c3nc4ccccc4s3)o2)cc1 39794147 MOLAFSAJFFHEKW-UNOMPAQXSA-N 433.514 6.092 30 10 IKEE C=CCN1C(=O)c2[nH]nc(-c3cc(C)cc(C)c3O)c2[C@@H]1c1ccc(OCCCC)cc1 39912101 QIAUOGFSHPGCRU-DEOSSOPVSA-N 431.536 5.309 30 10 IKEE C=CCc1ccccc1OCCCn1c(CNC(=O)c2cccc(C)c2)nc2ccccc21 40276997 CEQQWIFLTZCJNY-UHFFFAOYSA-N 439.559 5.472 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc5c(c4)OCO5)c3C)C2=O)cc1 41291363 HOKYIVGMPFGJER-FMCGGJTJSA-N 428.440 5.122 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(N(C)C)cc1)C3=O)CN(Cc1ccc(F)cc1)CO2 41589343 ZNDIRWXDPBEKEF-MSXFZWOLSA-N 444.506 5.168 30 10 IKEE C#CCOc1cccc([C@@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccc(Cl)cc2)c1 64795816 STNSJXAAWSJBBJ-KRWDZBQOSA-N 437.904 5.253 30 10 IKEE COc1ccc(/C=C\C(=O)c2ccc(O)cc2)cc1COc1ccccc1C1CCCCC1 96936286 YLLNITIABQGAHU-BOPFTXTBSA-N 442.555 6.924 30 10 IKEE CCCCCCCOc1ccc2ccccc2c1C[C@@H](NC(=O)OC(C)(C)C)C(=O)O 100122997 QVLZNDMJXRLGJV-OAQYLSRUSA-N 429.557 5.709 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2)cc1 100153919 RCEYQMWBHCOHFC-UHFFFAOYSA-N 449.414 5.925 30 10 IKEE CCOc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N\c1ccc(Oc2ccccc2)cc1 101764802 RXJSTNSLRSRQDM-XPMRTLDXSA-N 440.543 6.631 30 10 IKEE CCCCCCCCCCn1c(CCCNC(=O)Cc2ccccc2C)nc2ccccc21 102156118 BSAIRUBUOMMGLG-UHFFFAOYSA-N 447.667 6.777 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccc(F)cc2)cc1 169922079 SCVSIKPBCGHUJX-QFIPXVFZSA-N 435.426 5.065 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2cccc(C)c2)c1 169970796 XRGSKSMJBDIPGZ-DEOSSOPVSA-N 443.499 5.191 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccc(O)c(OCC)c1 169974286 UYLKLGHDFXRXHU-QHCPKHFHSA-N 448.519 5.041 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1cccs1)c1ccc2c(c1)CCCC2 169985371 SRUKOPZJFJLRGE-QFIPXVFZSA-N 449.959 6.063 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccccn1 169994458 STELJORMHVJXCR-JOCHJYFZSA-N 444.874 5.573 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@H]2c2cccnc2)c1 170008868 JJGNCYXHWKNZLG-QFIPXVFZSA-N 432.907 5.443 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]2c2ccncc2)c1 170021518 OCEQPUGFLIUSPQ-JOCHJYFZSA-N 448.906 5.225 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C)c2)cc1 170028367 BOWJPBLZRIYXLI-QHCPKHFHSA-N 447.918 5.830 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1ccc(N(C)C)cc1 170087201 OOIWKJHLIRYKPH-HSZRJFAPSA-N 446.934 5.497 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccco2)cc1Cl 170092224 PFXHFXSCAZDIBR-HXUWFJFHSA-N 441.842 5.172 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(O)cc1 170132932 IIYSGWDMKSVOJE-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@@H]1c1cccc(C)c1 170146991 PRIHMHBTUAVIBB-IBGZPJMESA-N 428.326 5.054 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1cccs1 170161540 QNYPISLGNRDRAS-HSZRJFAPSA-N 447.556 5.874 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1 170226374 FGIIJRRSXWQFTJ-OAQYLSRUSA-N 433.891 5.440 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1cccc(O)c1 170258348 HECVWEZKEQVBJA-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(CC)cc2)c1 170266518 KTUQUKLFHQIZFE-DEOSSOPVSA-N 433.548 5.559 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccc2C)c1 170271395 YBHBZJOYHMSTLE-XMMPIXPASA-N 427.500 5.485 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccco2)cc1C(C)C 170281642 LCNNFYBJEDHAIF-JOCHJYFZSA-N 435.451 5.334 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccco2)ccc1Cl 170282908 NPXGXTZNXOYILG-NRFANRHFSA-N 437.879 5.423 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2c2ccccc2C)o1 170305553 IEAKZVLSUXXZRN-XMMPIXPASA-N 445.515 5.714 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(O)c1)c1ccco1 170386101 QKLCONDQPAYDLA-GOSISDBHSA-N 430.243 5.075 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(OC)cc2)cc1 170452982 BUWKRVLFRHAWEO-JOCHJYFZSA-N 436.552 5.057 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cccc(Cl)c2)cc1 170453862 PPCXKSPWSKPTHU-OAQYLSRUSA-N 440.971 5.701 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2cc(Cl)ccc2O)[C@@H]1c1ccc(C(C)(C)C)cc1 170470356 JYFPIDXDYXLYFR-JOCHJYFZSA-N 441.955 5.858 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc(Oc3ccccc3)cc2)[C@@H]1c1cccs1 170476854 ZEYDKNRXQYHZGF-OAQYLSRUSA-N 433.529 6.056 30 10 IKEE Cc1nc2ccccc2c(-c2ccc(Cl)cc2)c1C(=O)/C=C\c1ccc(F)c(Cl)c1 221901233 YQTDELXGHMYGQY-QPEQYQDCSA-N 436.313 7.552 30 10 IKEE CCCCCCCC[C@@H](NC)c1cc(I)ccc1Br 232958489 FMDWWOOTAUIQBZ-MRXNPFEDSA-N 438.191 6.065 30 10 IKEE O=[N+]([O-])c1ccc(NN=Cc2ccc(OCc3ccccc3Cl)cc2)c([N+](=O)[O-])c1 252589162 AHQRGEMLHBQZBL-UHFFFAOYSA-N 426.816 5.181 30 10 IKEE Cc1cc2c(cc1C=Nc1sc3c(c1C(=O)NCc1ccccc1)CCCC3)OCO2 252601981 FFCURMFIGBFHIR-UHFFFAOYSA-N 432.545 5.345 30 10 IKEE CSc1nnc(C)n1N=Cc1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1 254752573 XJIFKJVVQKMKPO-UHFFFAOYSA-N 431.732 5.323 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccs2)cc1OC 526490115 ZLJRLQRXMYAZND-QHCPKHFHSA-N 446.528 5.474 30 10 IKEE CCOc1cc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)ccc1O 526490203 ZYSCEKOTWUMRCC-HSZRJFAPSA-N 446.890 5.373 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(F)cc2)c1 526515778 LWWHFMMRMZYKRI-XMMPIXPASA-N 428.463 5.543 30 10 IKEE Cc1ccc(CSc2nncn2/N=C\c2ccccc2OCc2ccccc2)c(C)c1 526810902 SBXBVQCESDOOEA-DICXZTSXSA-N 428.561 5.648 30 10 IKEE C=CCN(c1ccc(OCC)c(OCC)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586244363 WIINPXSMRYITQQ-UHFFFAOYSA-N 430.353 5.172 30 10 IKEE CCOc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2ccc(Cl)cc2)cc1 586255492 NPCRZJDDOFXHOY-UHFFFAOYSA-N 426.925 5.006 30 10 IKEE C=CCCN(c1ccc(OCC)c(OCC)c1)S(=O)(=O)c1ccc(OC(C)C)cc1 586256502 KDSAKEOBGBPOMZ-UHFFFAOYSA-N 433.570 5.043 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1ccc(F)c(F)c1F 693445998 GEZGTHRMQXTVFO-OAHLLOKOSA-N 441.247 5.873 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 698830388 VHCMTNRAZQTSDT-WAIKUNEKSA-N 433.524 5.106 30 10 IKEE C[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 698834396 XPXLUKCVIQKUPA-HJPURHCSSA-N 449.979 5.763 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C1 698835103 ZBIOVZUFLFLKFA-MWTRTKDXSA-N 449.979 5.621 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)CC1(C)C 698869196 KJDLNISXUPWAQS-XMMPIXPASA-N 447.551 5.639 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 698869712 MWPMLXDPPNFTEM-WZONZLPQSA-N 433.524 5.249 30 10 IKEE CCCCCCCCC[C@@H](NCC)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 702480885 JRLVMOZMIRXEIH-RPBOFIJWSA-N 447.708 6.131 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@H](C#N)c1cccc(Cl)c1Br 719682846 DTKDUTUZGQBREA-KRWDZBQOSA-N 441.797 6.627 30 10 IKEE C=C1CCC(C[C@H](NC)c2cc(I)ccc2Br)CC1 724619326 SREWPAQZPHHYLF-INIZCTEOSA-N 434.159 5.451 30 10 IKEE C=C1C[C@H](OC(=O)c2ccccc2)[C@@H]2[C@@](C)(CO)CCC[C@@]2(C)[C@@H]1CC/C(C)=C/CO 1077996765 WGSYIFPPMZUQAN-XFXWYIJKSA-N 426.597 5.312 30 10 IKEE Oc1nc2ccc(N=Cc3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)cc2[nH]1 1081806275 USCXXYXHONJYON-UHFFFAOYSA-N 435.314 6.329 30 10 IKEE O=C(/C=C/c1ccc(Br)cc1)c1ccc(N=Cc2c[nH]c3ccccc23)cc1 1084179140 AZTYMGXTIWERII-GGABDZSTSA-N 429.317 6.577 30 10 IKEE CCCCCCN(CCCCCC)CN1C(=O)C(=Nc2ccc(C)cc2C)c2ccccc21 1084653945 DBXXWTMFQGYWEJ-UHFFFAOYSA-N 447.667 7.191 30 10 IKEE Cc1cc(O)ccc1N/C(=N/Cc1cc(Br)ccc1F)NCc1cccs1 1088663264 FNIIZRFGEFFGCO-UHFFFAOYSA-N 448.361 5.422 30 10 IKEE Cc1cccc(N2C(=O)CS/C2=N/N=C2\Oc3ccccc3[CH][C@@H]2c2ccccc2)c1 1614733007 OGYKUCWERYJLSE-WEKIHQLOSA-N 426.521 5.173 30 10 IKEE COc1cccc(/C=C2/SC(=Nc3cccc(C(=O)O)c3)N(c3ccccc3)C2=O)c1 1772735188 IGTYYSXOOOHZKE-ZOQGDPGVSA-N 430.485 5.202 30 10 IKEE CC(C)(C)c1cc(C(=O)Nc2c(C#N)cnn2-c2ccccc2)c2cccc(Cl)c2n1 1859651681 XEHZZGJFLOAGRJ-UHFFFAOYSA-N 429.911 5.495 30 10 IKEE CCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)COc1ccc(Cl)cc1Cl 1861680321 LHZJJIQNNFWDAI-OAQYLSRUSA-N 431.404 5.134 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2ccc(C)cc2)cc1 1862389657 KRDOKAUOMHBUIU-XMMPIXPASA-N 435.564 5.079 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@@H]1c1cccc(OC)c1 1862390574 GZPVQIZRWKHAJM-DEOSSOPVSA-N 435.564 5.806 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@@H]2c2ccc(OCC)cc2)cc1 1862392597 BIICSIONFSGRNO-XMMPIXPASA-N 435.564 5.806 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 1862396341 HEOPTYUWWBEREB-XMMPIXPASA-N 433.592 6.315 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2cccc(OCCC)c2)cc1 1862396843 HUSZDSJIFQREQK-DEOSSOPVSA-N 433.548 5.559 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccc(O)cc2)cc1C 1862400401 CZQQUYFALTXIMI-XDHUDOTRSA-N 443.499 5.049 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccccc2C)cc1OCCC 1862425976 KTFZBSPGBNKRSW-DEOSSOPVSA-N 449.547 5.313 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1 1862442342 IAZKJVOXQDHBCO-QFIPXVFZSA-N 443.946 6.418 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccccc1)c1c(F)cc(F)cc1F 1862455798 CMDUTDYRBZZPSQ-NRFANRHFSA-N 429.438 5.405 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCc2ccccc2)c1 1862507826 VDIMOXNXPBXQOH-DEOSSOPVSA-N 429.491 5.264 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2cc(Cl)cc(Cl)c2)cc1 1862521598 MEAOEIMWCBZUDL-FQEVSTJZSA-N 448.346 5.771 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2ccc(F)cc2)cc1 1862529884 KWVUPKITRGTBBW-RUZDIDTESA-N 443.518 5.783 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2cccc(Cl)c2)c1 1862556692 CERPHEVNMVUKOG-JOCHJYFZSA-N 436.939 5.391 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2ccccc2Cl)cc1 1862594589 GPPSJRYRKHSVFE-QFIPXVFZSA-N 433.891 5.133 30 10 IKEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccccc1C 1862612820 AUJIRGARFLDOJK-DEOSSOPVSA-N 448.607 5.213 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 1862614327 ATEHHBGDEWPPDT-JTHBVZDNSA-N 433.548 5.050 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1cccc(OC)c1 1862638300 YFZQWZYQGMRLKS-JOCHJYFZSA-N 441.499 5.002 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1cccc(Br)c1)c1cccc2ccccc12 1862656840 OQWUSUCPEJKUBY-NRFANRHFSA-N 448.316 5.343 30 10 IKEE Cc1ccc(C2=C(Nc3cccc4cccnc34)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1C 1862879698 BLUULKWNPJHLMM-UHFFFAOYSA-N 444.494 5.120 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1 1862901155 ZGXSWUTUXGZADB-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccccc3Cl)C2=O)c1 1863033651 YVESBQDCPCZSAK-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE C=CCOc1ccccc1/C=C1/C(=O)N(Cc2ccc(C)cc2)N=C1c1ccc(OC)cc1 1865666213 DKXAAHQDMRRYEU-XIEYBQDHSA-N 438.527 5.399 30 10 IKEE N#Cc1cc(Br)c(NC(=O)c2ccc3c(c2)CCCC3)c(Br)c1 1866087790 FEHJRUZXUKIOBC-UHFFFAOYSA-N 434.131 5.214 30 10 IKEE CCCc1nc(Nc2ccc(C#N)cc2)cc(N2CCCc3ccc(N4CCCC4)cc32)n1 1868401393 YEPYKHDKUFOHJO-UHFFFAOYSA-N 438.579 5.729 30 10 IKEE C=CCN(CC=C)c1cc(N2C[C@H](C)Cc3ccccc32)nc(-c2ccc(Cl)cc2)n1 1869259057 VPBLIRCRVBDDQI-LJQANCHMSA-N 430.983 6.306 30 10 IKEE CCCCOc1ccc(-n2nnc(C#N)c2NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 1870141001 UXGRMGXWYCVVSS-CXUHLZMHSA-N 443.551 5.267 30 10 IKEE CCN(CC)CCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSC(C)(C)C 1870232757 IPFXTQUNZGIXLM-UHFFFAOYSA-N 441.641 5.063 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCCC)cn1C[C@@H](c1ccccc1)N1CCCC1 1870665568 BPQKVQVQXMMHGO-SANMLTNESA-N 449.639 5.038 30 10 IKEE C=CCOc1cn(CCCCC)c(CNc2ccc(OCCCCCC)cc2)cc1=O 1870811245 PUCZUAYFEMZGIY-UHFFFAOYSA-N 426.601 6.175 30 10 IKEE CCCCCCCOc1cn(CCCOC)c(CNc2ccc(Cl)c(C)c2)cc1=O 1870830388 LUDJDUIMVSWYOJ-UHFFFAOYSA-N 435.008 5.808 30 10 IKEE CCCCCCCOc1cn(CCN(C)C)c(CNc2ccc(CCCC)cc2)cc1=O 1870837994 JNIZLNUWTUGDHT-UHFFFAOYSA-N 441.660 5.714 30 10 IKEE C#CCOc1cn(Cc2ccc(C)cc2)c(CNc2cc(Cl)cc(Cl)c2)cc1=O 1871009391 SVFVNPFOWIMDRR-UHFFFAOYSA-N 427.331 5.136 30 10 IKEE CCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc2cc[nH]c2c1 1871251240 UZCGPAUIEGFOIL-UHFFFAOYSA-N 426.520 5.192 30 10 IKEE O=C1/C(=C/c2c(F)cccc2Cl)Oc2c1ccc1c2CN(Cc2ccccc2F)CO1 1871346947 LGGFFUOXYGNNGK-YVNNLAQVSA-N 439.845 5.587 30 10 IKEE CCCCCN1COc2ccc3c(c2C1)O/C(=C\c1cn(CC)c2ccc(OC)cc12)C3=O 1871346997 PUDGUKCPPRJXQO-MXAYSNPKSA-N 446.547 5.628 30 10 IKEE COc1cccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN([C@H]2CCCC[C@H]2C)C4)c1OC 1871351363 WXRZMQRLZNJCRH-WTNBHNMYSA-N 449.547 5.359 30 10 IKEE CCCCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(-c2ccccc2)cc1)C3=O 1871352303 ZDMHWIOCLGKLKN-IMRQLAEWSA-N 439.555 6.702 30 10 IKEE Cc1ccc(C)c(CN2COc3c(cc4c(c3C)O/C(=C\c3ccccc3F)C4=O)C2)c1 1871355724 IJYJSYXQPRNRSF-MSXFZWOLSA-N 429.491 5.719 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc([N+](=O)[O-])cc1)C3=O)CN([C@@H]1CCCC[C@@H]1C)CO2 1871356226 ZUKXCNBBOYRBHU-OGGWXJQVSA-N 434.492 5.250 30 10 IKEE C=CCOc1ccc(C(=O)Nc2ccc3oc(C(=O)c4ccc(OC)cc4)c(C)c3c2)cc1 1871358289 KHHXUZICCFPXIS-UHFFFAOYSA-N 441.483 5.798 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1cc(C)c2c(c1)O/C(=C\c1ccccc1F)C2=O 1871371075 JGMROJIKJYTHKO-IWIPYMOSSA-N 446.474 5.823 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)/C(Cl)=C/c4ccccc4)ccc3C2=O)cc1 1871377635 VLOWUTCPQNNQLR-FHVZNZBFSA-N 446.886 5.887 30 10 IKEE Cc1cccc(OCCCOc2cc(C)c3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)c1 1871406404 ULMPXLWUSXQMQS-QFEZKATASA-N 444.483 5.496 30 10 IKEE COc1ccccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccccc1Cl)C2=O 1871458468 DMTIMAKYDGUOAX-UUYOSTAYSA-N 449.890 5.291 30 10 IKEE C=CCN(CC=C)c1nc(=NCCCC)nc(Nc2ccc(-c3ccccc3C)cc2)[nH]1 1871637903 QKOOVNIGKVIWSS-UHFFFAOYSA-N 428.584 5.403 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc(OCc2c(Cl)ccc(Cl)c2Cl)cc1 1872722592 MHJMGDHBIZSYLF-UHFFFAOYSA-N 446.783 5.589 30 10 IKEE N#C[C@@H](C(=O)/C=C\c1ccc2c(c1)OCCO2)c1nc(-c2ccc3ccccc3c2)cs1 1872760374 MXUPCTFYFFGHST-CTTRRDQISA-N 438.508 5.624 30 10 IKEE COc1cc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc(OC)c1OC 1872783077 QWJNYYPNMNKFLL-XSBJJCPUSA-N 448.544 5.342 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(-c3ccccc3)cc2)C(=O)N(CCC)C1=O 1873085724 CJOCIUBPOUEQKW-UHFFFAOYSA-N 446.635 6.574 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCCCC)=C(c2ccc(OCCC)cc2)C1=O 1873144406 FXYANEYTEYRTCO-UHFFFAOYSA-N 442.644 6.086 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2OC(C)C)=C(c2c(Cl)cccc2Cl)C1=O 1873289179 AAWMIDRIFRZIDN-UHFFFAOYSA-N 431.319 5.159 30 10 IKEE CCCCCCCCCCNc1ncnc2c1ccc(=O)n2-c1ccc(CCCC)cc1 1873535887 VNEVXIAOWYNQON-UHFFFAOYSA-N 434.628 6.676 30 10 IKEE C=C(C)CSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(Cl)cc1 1874269522 AOYBCRSUKSMLSJ-CVKSISIWSA-N 432.980 6.226 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccco2)CC1 1874285500 JMRLHZOEDKBDKJ-WGOQTCKBSA-N 440.588 6.649 30 10 IKEE Cc1ccsc1/C=N/n1c(COc2cccc(C)c2C)nnc1SCc1ccccc1 1874323213 DHULJMJBAWXMLO-AFUMVMLFSA-N 448.617 6.018 30 10 IKEE COc1ccccc1/C=N/n1c(Cc2ccc(Cl)cc2)nnc1SCc1ccccc1 1874342346 LGNHBLPBWNVENQ-WGOQTCKBSA-N 448.979 5.705 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(O)c(OCC)c1 1874367240 SPYCOQZAVIATED-FSJBWODESA-N 428.945 5.253 30 10 IKEE C=C(C)CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1ccc(OCCCCC)cc1 1874395444 MUCBXRLECLTCQE-BKKKIYDCSA-N 448.636 6.549 30 10 IKEE Clc1cccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccccc2)c1 1874407521 BEDBPNJIUQXFNQ-PCLIKHOPSA-N 425.001 6.229 30 10 IKEE CCCSc1nnc(CC2CCCCC2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874409429 WVZULXANCWCCNK-ZXVVBBHZSA-N 448.636 6.364 30 10 IKEE CCSc1nnc(-c2ccccc2)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874427576 QECODFRDOXYACR-WGOQTCKBSA-N 448.979 6.172 30 10 IKEE CCCCc1nnc(SC)n1/N=C/c1ccc(OCCCc2ccccc2)c(OC)c1 1874475702 NCMKBKWBEGBOQH-XIEYBQDHSA-N 438.597 5.245 30 10 IKEE CC(C)Cc1nnc(SCc2ccccc2)n1/N=C/c1cccc(Br)c1 1874490000 UZZAKNCSGPBATL-LPYMAVHISA-N 429.387 5.414 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C2CCC2)c1 1874498439 INQCBUMHYJHCIA-BHGWPJFGSA-N 430.936 5.527 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2ccccc2Cl)c1C 1874509941 CUYKZAKAKXZVNC-WYMPLXKRSA-N 441.988 5.285 30 10 IKEE C=CCSc1nnc(C)n1/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1874533462 JWTBHSZKTPBYJW-FSJBWODESA-N 433.364 5.633 30 10 IKEE CCN(CC)C(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(-c2ccccc2)cc1 1874569688 DNTWLQYNVKQOIF-JQIJEIRASA-N 447.962 6.150 30 10 IKEE COc1cccc(/C=C/C(=O)c2cccc(Cl)c2)c1OCC(=O)Nc1ccccc1C 1874577485 PONYFTPUWVJHGU-BUHFOSPRSA-N 435.907 5.571 30 10 IKEE CCc1ccccc1NC(=O)COc1ccccc1/C=C/C(=O)c1ccc(C(C)(C)C)cc1 1874581941 OEWZRGPOVHOCOA-KNTRCKAVSA-N 441.571 6.460 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1Cl)NCc1ccccc1 1874609073 WIHLLCSADIHACA-ZRDIBKRKSA-N 440.326 5.585 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(OC)cc3)cc2OC)cc1 1874609921 RKUZPSBPDFBMSD-VIZOYTHASA-N 445.515 5.180 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cccc(C)c3C)c(Cl)c2)cc1 1874616072 ISOQFGUXPFBCCN-UKTHLTGXSA-N 433.935 6.179 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)c1 1874618982 CRBMVKDGHBQQBU-RMKNXTFCSA-N 443.326 6.486 30 10 IKEE CC(C)COC(=O)COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1Br 1874625193 QKMGNIISTQDKMM-YCRREMRBSA-N 435.289 5.062 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2cc(Cl)ccc2Cl)c1)c1ccc([N+](=O)[O-])cc1 1874698049 JEUNUKWTGNKUOS-NYYWCZLTSA-N 442.254 6.017 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OC(=O)c1ccc(F)cc1F 1874699414 UIHKRBPGNICZJH-WEVVVXLNSA-N 428.818 5.742 30 10 IKEE CC(C)COc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)OCO4)c2)cc1 1874707731 UHURZRYFUGZPOC-WUXMJOGZSA-N 444.483 5.565 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc1OC(=O)CC(C)(C)C 1874708897 ZZEVUXUXUNRLIW-FMIVXFBMSA-N 438.564 6.239 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(OC)cc2)CSc2nnc(C3CCC3)n21 1874880753 QQMAIXAPOQGALR-NRFANRHFSA-N 442.629 5.616 30 10 IKEE COCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1OC 1875080702 PIPJPJQHWZMAND-MDWZMJQESA-N 436.891 5.464 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3F)c(OC)c2)cc1C 1875109078 VDXUYGYZXUDEAE-RUDMXATFSA-N 438.426 5.406 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1 1875113124 XHOHIUTYGIONLK-AWQFTUOYSA-N 434.491 6.478 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1Br)c1ccccn1 1875121017 VPUWZZVRTJRTMW-XBXARRHUSA-N 444.231 5.238 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OC(=O)Cc1cc(C)ccc1C 1875127586 NRGBSPFNZGOXHO-VAWYXSNFSA-N 434.919 6.010 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2[N+](=O)[O-])cc1 1875134773 KROVYVJPBARJBJ-FMIVXFBMSA-N 429.472 5.564 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3)cc2)cc1C(C)C 1875163243 BGBSUKRNCYQBFA-VGOFMYFVSA-N 432.491 6.381 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)c(C)c3)cc2)c(C)c1C 1875168036 UMXGDJGMOMVSKP-GXDHUFHOSA-N 428.528 5.973 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2ccc(OC(=O)C(C)C)c([N+](=O)[O-])c2)cc1Cl 1875188478 XBOACFZKUUNBMH-GQCTYLIASA-N 438.263 5.368 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc1OC 1875193853 CWJYOOBTIGPCER-FMIVXFBMSA-N 430.928 6.129 30 10 IKEE CC(C)c1cc(C(=O)NCC#CCOc2cccc(C(F)(F)F)c2)c2cc(F)ccc2n1 1891476048 QEOYRBCSNNOTLK-UHFFFAOYSA-N 444.428 5.328 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCC)c2ccc(Cl)c(Br)c2F)C1 1892694659 GPLLKCCOAKIZAU-MRXNPFEDSA-N 447.776 5.506 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)[C@@H]2CCC[C@@H]21 1926541054 FEOSGYPCLRAKGY-IMWIBFENSA-N 427.545 5.110 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCC[C@@H]2CNC(=O)OC(C)(C)C)c1 1944590216 UFRYNCRNWDPHAW-KOSHJBKYSA-N 429.561 5.324 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@](C#N)(N(C(=O)OC(C)(C)C)C1CCCCCC1)C2 1950028015 IGBPSUATKPYDOJ-KDLAUNOPSA-N 433.593 5.238 30 10 IKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CN(Cc2ccccc2)C2(CCCCC2)C1 1950346404 DRIZDJNYTVIKRS-QFQXNSOFSA-N 425.617 5.893 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)C1 1993189308 WSSSEKYOXVRZDD-CRAIPNDOSA-N 435.952 5.231 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)C[C@@H]1C1CC1 2018416143 DMVDVSAWUCWNQU-DVECYGJZSA-N 433.593 5.238 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@H](C#N)[C@@]1(C)CCCN1C(=O)OC(C)(C)C 2020798914 OVSNYZMMPBOTHH-WZONZLPQSA-N 449.979 5.763 30 10 IKEE CC(C)[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)CN1Cc1ccccc1 2029763903 NRYBVURUDWNVHV-JYFHCDHNSA-N 437.559 5.760 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2cccs2)cc1Cl 2033815705 PFZQFAWPUKUWFQ-FQEVSTJZSA-N 439.920 5.189 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CN(Cc3ccccc3)C3(CCC3)C2)c1 2037915569 XEQBIUOEWLWTJQ-MHZLTWQESA-N 431.580 5.828 30 10 IKEE CCCCOc1ccc(C=NN=C2NC(=O)C(c3ccccc3)(c3ccccc3)S2)cc1 2059864935 SLZDRVIBBZYNBY-UHFFFAOYSA-N 443.572 5.362 30 10 IKEE N#Cc1cc(Br)cc(Nc2ccc(Br)c(Br)c2)c1 2065992058 DTCULFQJVXAGHZ-UHFFFAOYSA-N 430.925 5.589 30 10 IKEE CC(C)[C@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)(F)F)c(C=NO)c1Cl 2079856111 QZHXDHJCGYRZGI-GFCCVEGCSA-N 431.739 5.767 30 10 IKEE COc1ccc([C@@H](n2nc(C3CCC3)c(C=NO)c2Br)C2(C)CC2)c(C)c1 2079893934 BJQSDNQFCSQESJ-LJQANCHMSA-N 432.362 5.428 30 10 IKEE CC(C)[C@@H](c1ccc(C2CCC2)cc1)n1nc(C2CCC2)c(C=NO)c1Br 2079958477 PRGGATMGQXXESO-NRFANRHFSA-N 430.390 6.234 30 10 IKEE NC(=O)c1c(C(F)(F)F)nn([C@H](c2ccc(C(F)(F)F)cc2F)C2CCC2)c1Cl 2079971749 LMNSUVBJLYRRGQ-LBPRGKRZSA-N 443.750 5.202 30 10 IKEE CC(C)(C)OC(=O)c1ccc(NC23CC4CC(CC(C4)C2)C3)c(/N=C/c2cncnc2)c1 2087926842 DFENTOUMMDWZAF-WKULSOCRSA-N 432.568 5.563 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@H](C(C)C)N(Cc3ccccc3)C2)cc1 2090228579 XCGMUDYNSQDZAP-SHQCIBLASA-N 449.595 5.630 30 10 IKEE CCCCCCCCCC(=O)NCc1scc(Br)c1Br 2150566374 JIDRBQYZHNZHAP-UHFFFAOYSA-N 425.230 6.030 30 10 IKEE CC(C)(C)OC(=O)NC(C)(C)c1ccc(Nc2cc(Br)cnc2C#N)cc1 2167606358 CZYUHRVTBBLVLA-UHFFFAOYSA-N 431.334 5.219 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2ccc(F)c(C#N)c2)ccc1Br 2181055705 KSAHDDLJKIDEGD-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE CC1(C)CCCN(Cc2ccccc2)[C@@H]1CNc1cc(Br)c(C#N)cc1F 2184352945 FFYCCZVLGBHUFN-OAQYLSRUSA-N 430.365 5.563 30 10 IKEE CCCCCC#CCC(=O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237430893 BDAJXVCRPOYULG-LJQANCHMSA-N 436.390 5.428 30 10 IKEE CC(C)(C)OC(=O)N1CCCC(C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)CCC1 2248637986 NGNNFUFJYOKFTC-UHFFFAOYSA-N 449.617 5.559 30 10 IKEE Cc1c(NC(=O)OC(C)(C)C)cccc1NC(=O)C1CC(B2OC(C)(C)C(C)(C)O2)C1 2255617704 DUJKYLPIBAFPOL-UHFFFAOYSA-N 430.354 5.153 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cccc(Cl)c1Br 2272011109 SMHIBXKKKDWXKA-WMZOPIPTSA-N 443.813 5.450 30 10 IKEE Cc1cccc(NC(=S)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(C)c(C)c2)c1 2296405026 IZIWZSXMCCXAHL-UHFFFAOYSA-N 439.588 5.785 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2O)cc1CSc1nc2ccccc2s1 2296971887 LRTHJUUMRZOLAX-UHFFFAOYSA-N 433.554 6.199 30 10 IKEE CCN(CC)c1ccc(C=CC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 2297462469 YIXGFPLBVOXWJR-UHFFFAOYSA-N 448.588 5.538 30 10 IKEE COc1ccc(C=CC(=O)c2nc3ccccc3n2Cc2ccccc2Cl)cc1OC 2297466348 TVHUKQMPMAEWIL-UHFFFAOYSA-N 432.907 5.651 30 10 IKEE C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@H]1CCC2=NN=Cc1ccccc1C(F)(F)F 2297480197 FHIHDASURXFVSB-LJAADJQSSA-N 444.585 7.913 30 10 IKEE C(=Cc1ccccc1)C=NN=C(NN=CC=Cc1ccccc1)NN=CC=Cc1ccccc1 2297532619 HZUAMPDDPCIIEZ-UHFFFAOYSA-N 446.558 5.619 30 10 IKEE O=[N+]([O-])c1ccc(C=CC=Nc2ccc3oc(-c4ccc(Br)cc4)nc3c2)cc1 2297550371 WYGMAXIDSOKEPI-UHFFFAOYSA-N 448.276 6.581 30 10 IKEE COc1ccc(C=C2Oc3c(ccc4c3[C@H](c3ccc(SC)cc3)CC(=O)O4)C2=O)cc1 2297596235 AEHDUFYLQRGKTI-FQEVSTJZSA-N 444.508 5.474 30 10 IKEE C=CCN1C(=O)C(=C2Sc3ccc(OC)cc3N2C)SC1=Nc1ccc(C)cc1C 2297707921 ZMRAJJSBIMWOTQ-UHFFFAOYSA-N 437.590 5.472 30 10 IKEE CSC1(C#C[C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CC1 2299625976 BMNNBUWMAMZLPU-DEOSSOPVSA-N 430.569 5.777 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2302796358 RDKWVHQCROMTEM-SUMDDJOVSA-N 433.524 5.153 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@](C#N)(N(C(=O)OC(C)(C)C)c3ccccc3)C[C@@]2(C)C1 2309552686 KQSMBMFHZVBJNO-AYCKEJKLSA-N 441.572 5.357 30 10 IKEE Sc1nnc(C2CCCCC2)n1N=Cc1cccc(OCc2ccccc2Cl)c1 2321889957 LTWKPDZASPVAHL-UHFFFAOYSA-N 426.973 5.729 30 10 IKEE COc1ccc(C=C2Oc3c(ccc4c3CN([C@@H](C)c3ccccc3)CO4)C2=O)c(OC)c1 2322092434 FVNMRFCTKNPQFJ-KRWDZBQOSA-N 443.499 5.233 30 10 IKEE COc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2cccc(C)c2)C4)cc1 2322217863 DXYOWOUCQSIXDD-UHFFFAOYSA-N 427.500 5.280 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccccc2OCc2ccc(F)cc2)cc1OCCC 2322502527 ZWOLHFSINDINQX-UHFFFAOYSA-N 448.534 6.878 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2c(OCc3cccc(F)c3)ccc3ccccc23)cc1 2322684196 JXYGXCISVWYMDS-UHFFFAOYSA-N 438.542 7.752 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2cccc3ccccc23)c1OCc1ccccc1C 2322724567 CEPHAKQXAGXWAO-UHFFFAOYSA-N 442.942 7.285 30 10 IKEE CCn1cc(C=C2Oc3cc(OC(=O)Cc4ccccc4)cc(C)c3C2=O)c2ccccc21 2322884610 LKZPSXLUUTZDRY-UHFFFAOYSA-N 437.495 5.734 30 10 IKEE Cc1c(OC(=O)C=Cc2ccc(F)cc2)ccc2c1OC(=Cc1ccc(Cl)cc1)C2=O 2323045703 GILKEXFFCPQJPF-UHFFFAOYSA-N 434.850 6.023 30 10 IKEE Cc1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)cc1 2323063581 KKVCMYFFCNSXFU-UHFFFAOYSA-N 441.439 5.447 30 10 IKEE CCc1ccc(NC(=O)COc2cccc(C=CC(=O)c3cc(C)cc(C)c3OC)c2)cc1 2323260362 YJXGAEJZIFWNGN-UHFFFAOYSA-N 443.543 5.788 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3nccs3)c2)c2ccccc12 2323330567 XPDKIIZQEBWSSG-UHFFFAOYSA-N 444.512 5.219 30 10 IKEE CCCOC(=O)COc1ccc(C=CC(=O)c2cccc(Br)c2)cc1OCC 2323662403 XJKDJWSSCDIKDD-UHFFFAOYSA-N 447.325 5.076 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OC(=O)c3ccc(-n4cccc4)cc3)ccc2C1=O 2323675097 FYCJHRGSITTWSM-UHFFFAOYSA-N 427.481 5.683 30 10 IKEE CCOc1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccco2)C3=O)cc1OC 2323693807 XXMVOBMRXYUAMN-UHFFFAOYSA-N 446.455 5.230 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OCc1cccc(Cl)c1 2323767831 BNIUWRYPXFQHCU-UHFFFAOYSA-N 427.327 6.867 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OCC(=O)Nc1ccccc1F 2323780795 UKZLCMCJQWHXFJ-UHFFFAOYSA-N 439.870 5.401 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Br)c(OC)c(Br)c2)cc1 2323831391 CHDWROFVCWKTOL-UHFFFAOYSA-N 440.131 5.515 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2sccc2C)C3=O)c1 2323839674 OYGBQSGNPKTMIP-UHFFFAOYSA-N 434.513 5.989 30 10 IKEE COc1ccc(C=NNc2nc(-c3c(C)cc(C)cc3C)cs2)c(Br)c1O 2323840767 UXPOSBWXSUZJMX-UHFFFAOYSA-N 446.370 5.658 30 10 IKEE CCCCOc1c(OC)cc(C=NNc2nc(-c3ccccc3)c(C)s2)cc1[N+](=O)[O-] 2323852609 GCPUGAPHPSBFAX-UHFFFAOYSA-N 440.525 5.660 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OCc1ccc(C)cc1 2323959793 GKZFSCZTCRLUKI-UHFFFAOYSA-N 426.556 6.824 30 10 IKEE CCN(CC)C(=O)COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1Br 2324450352 KMMUOYXKCRJFNG-UHFFFAOYSA-N 444.369 5.209 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1 2324451488 RWJJEWIUBHQBRM-SFHVURJKSA-N 441.483 5.274 30 10 IKEE COc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)c(OC)c1 2324719066 PPSIRRLOHWJJFI-NRFANRHFSA-N 446.572 5.951 30 10 IKEE CCCC[C@H](Oc1ccc2c(c1)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O)C(=O)O 2324778018 IKOLHUGVBLXXTJ-QHCPKHFHSA-N 428.484 5.992 30 10 IKEE CCOc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2)cc1 2325485711 HOSQAHFUESKCAI-UHFFFAOYSA-N 428.561 5.442 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(OCC)c(OCC)c1 2325555944 ZRJQKFJTBWRIMF-UHFFFAOYSA-N 442.560 5.342 30 10 IKEE COc1ccc(C=Nn2c(C)nnc2SCc2c(Cl)cccc2Cl)cc1OC 2325631335 NQNICGTXGDGMCT-UHFFFAOYSA-N 437.352 5.085 30 10 IKEE COc1cc(C=Nn2cnnc2SCc2ccc(Cl)cc2Cl)cc(Cl)c1O 2325669020 KWPHLBRNYXJJTL-UHFFFAOYSA-N 443.743 5.127 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2cccc(C=CC(=O)c3ccc4ccccc4c3)c2)c1 2325700231 XAXPKUMTBKTEMS-UHFFFAOYSA-N 438.479 5.972 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OCC(=O)Nc4cc(Cl)ccc4C)c3C)C2=O)c1 2325723955 JNKOMUIXGKRFDL-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2OC)cc1OC(=O)CSc1ccccc1 2325742914 PGSQMLGOSHXLQU-UHFFFAOYSA-N 448.540 5.606 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(Cl)cc3)c2)cc1F 2325747910 RISPJLRDGWDZGJ-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2cccc(OC(=O)CCc3ccc(Cl)cc3)c2)cc1 2325750733 BYEDBLLMVGLZBP-UHFFFAOYSA-N 432.947 6.898 30 10 IKEE COc1cccc(OCC(=O)Oc2cc(C=CC(=O)c3ccc(C)c(C)c3)ccc2OC)c1 2325760062 RWXTZMXRYRKGQP-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)CCCOc3ccccc3C)c2)cc1C 2325760485 BPZKBWRFKLRROQ-UHFFFAOYSA-N 428.528 6.273 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2cccc(C=CC(=O)c3cc(C(C)(C)C)ccc3C)c2)c1 2325765585 WCHPIWMFLGIASW-UHFFFAOYSA-N 440.583 6.954 30 10 IKEE O=C(Oc1cccc(C=CC(=O)c2cc(Cl)ccc2Cl)c1)c1ccc2c(c1)OCO2 2325774562 KFDWJCOWJXOFMP-UHFFFAOYSA-N 441.266 5.837 30 10 IKEE C=C(C)CSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1cccs1 2325912505 NDTBNHREYJWKIE-UHFFFAOYSA-N 439.393 5.776 30 10 IKEE CCCOc1ccc(C=Nn2c(CCCOc3ccc(CC)cc3)nnc2SC)cc1 2326289720 GSPVXHULDCNOQV-UHFFFAOYSA-N 438.597 5.245 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(OCC)c(Cl)c1 2326358189 LEUIQSFEWXIKPG-UHFFFAOYSA-N 449.407 6.111 30 10 IKEE CCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(C(F)(F)F)cc1 2327739336 LHZZKUUHJOPAKU-UHFFFAOYSA-N 440.494 6.035 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3F)n2N=Cc2ccc[nH]2)cc1C 2328791945 PZHYKLUUKYSAOZ-UHFFFAOYSA-N 435.528 5.116 30 10 IKEE Cc1ccc(OCc2nnc(SCCc3ccccc3)n2N=Cc2ccncc2)cc1C 2328794419 XXQYMYVBXJTWSH-UHFFFAOYSA-N 443.576 5.086 30 10 IKEE Cc1ccc(OCc2nnc(SCCc3ccccc3)n2N=Cc2cccn2C)cc1C 2328794444 DHEUGANJYPQXKD-UHFFFAOYSA-N 445.592 5.029 30 10 IKEE CCCCOc1ccc(C=Nn2c(Cc3ccc(Cl)cc3)nnc2SC)cc1OC 2329063275 FVZFRHWUGGEQLG-UHFFFAOYSA-N 444.988 5.314 30 10 IKEE CCCCOc1ccc(C=Nn2c(Cc3ccccc3F)nnc2SCCC)cc1 2329763902 PQEIINLYGACNIJ-UHFFFAOYSA-N 426.561 5.571 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccccc3)n2N=Cc2ccc(O)cc2)cc1 2329874421 JUCRKPSLBOJDBQ-UHFFFAOYSA-N 430.533 5.046 30 10 IKEE CCCOc1ccccc1C=Nn1c(CC(C)(C)C)nnc1SCc1ccccc1F 2330844823 AEXAHIICCAELFO-UHFFFAOYSA-N 440.588 5.969 30 10 IKEE CC(C)(C)CC(=O)Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1Br 2330929404 JFPNGFQOPVLRIF-UHFFFAOYSA-N 435.745 6.340 30 10 IKEE COC(=O)c1ccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2C2CCCC2)cc1 2331071658 CIQJOHWEBOFJHE-UHFFFAOYSA-N 448.592 5.514 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(-n3cccc3)cc2)cc1)c1cccc(Cl)c1 2331116057 DDCZJFSLARAVJN-UHFFFAOYSA-N 427.887 6.246 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)c1cccc(F)c1 2331122044 AAAIORYUELHGPN-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc(Br)c1OC(=O)CC(C)(C)C 2331182708 BKPPLUIQRFORMC-UHFFFAOYSA-N 445.353 6.086 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3C)c(Cl)c2)cc1 2331304299 ZTOZBEFXJLKVIT-UHFFFAOYSA-N 434.919 6.553 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2OCC)c1 2331327620 ZHDAWBFNPADMFS-UHFFFAOYSA-N 444.527 6.216 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)CCc1ccccc1 2331345721 UAPOLWAYVZJAEH-UHFFFAOYSA-N 432.491 5.967 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)c3ccccc3C)c([N+](=O)[O-])c2)c1 2331386566 NIOAIXTXDQQQIS-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(F)c3)c(Cl)c2)cc1 2331415987 DPMSDXVRJRPPLU-UHFFFAOYSA-N 436.910 6.892 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(-c3ccccc3)cc2)cc1)c1ccc2c(c1)OCO2 2331432552 GZNWIDXMUQFUPQ-UHFFFAOYSA-N 448.474 6.198 30 10 IKEE CC(C)Cc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(Cl)cc1Cl 2331443885 IPTTXCFUHSMEDQ-UHFFFAOYSA-N 437.371 6.097 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)c1ccccc1F 2331554815 XNYCUUBPGPLYKZ-UHFFFAOYSA-N 446.808 5.881 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1OC(=O)C1CCCC1 2331641518 CTLJEQGOWZHDPA-UHFFFAOYSA-N 440.967 6.574 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3cc(C)cc(C)c3OC)cc2)cc1 2331659412 YKZNAKQOBHDWHE-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)Cc1ccccc1F 2331705230 SLOKSRXYOFZVCD-UHFFFAOYSA-N 448.490 5.504 30 10 IKEE N#Cc1nc(-c2cccs2)oc1NN=Cc1cccc(OCc2ccccc2Cl)c1 2331938196 OWYMPJDPHPBMNI-UHFFFAOYSA-N 434.908 5.953 30 10 IKEE C[C@@H](c1cccs1)N(Cc1ccccc1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N 2339468943 YZSLRZGQSXTDRS-IBGZPJMESA-N 444.409 5.687 30 10 IKEE N#C[C@@]1(Cc2ccc(I)c(Br)c2)CCCC(F)(F)C1 2349898899 RRGZCGQDKQVGJZ-CYBMUJFWSA-N 440.069 5.315 30 10 IKEE CC1(C)OB(c2ccc(COc3ccc(Cl)cc3Br)c(F)c2)OC1(C)C 2369071275 WNAKFPLYTDGCHM-UHFFFAOYSA-N 441.533 5.120 30 10 IKEE CC(C)(C)[C@@H]1CCc2nc(SCC(=O)Nc3c(Cl)cccc3Cl)c(C#N)cc2C1 20467861 DCCPJHXWBWCOFH-OAHLLOKOSA-N 448.419 6.142 30 10 IKEE COc1ccc(/N=C2\S/C(=C/C=C/c3ccco3)C(=O)N2c2ccc(OC)cc2)cc1 27230295 DDPDOTMKVXESKA-IANIUESHSA-N 432.501 5.662 30 10 IKEE CCc1ccc(/N=C2\S/C(=C/C=C/c3ccco3)C(=O)N2c2ccc(CC)cc2)cc1 27230300 RJXXUGCFOVIERG-QPAFGJGRSA-N 428.557 6.769 30 10 IKEE O=C1/C(=C/c2cc(-c3ccccc3)c(C(F)(F)F)s2)CSc2ccc(Cl)cc21 33365076 DQIAQQOZLPCXNR-MDWZMJQESA-N 436.907 7.459 30 10 IKEE O=C(/C=C\c1ccccc1)C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1Cl 33558084 AYRZFHJNKMIXRS-ISHSZONUSA-N 429.903 5.518 30 10 IKEE COc1cc(/C=N/NC(=S)Nc2ccccc2)ccc1OCc1ccccc1Cl 33560515 SSZHIHKPCFFVDZ-ZVHZXABRSA-N 425.941 5.248 30 10 IKEE O=C(/C=C/c1ccc(Cl)cc1)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 34955081 LNQQQICVBFVUND-LZWSPWQCSA-N 441.708 6.218 30 10 IKEE COc1ccc(CN2C(=O)O[C@](C#CC3CC3)(C(F)(F)F)c3cc(Cl)ccc32)cc1 38263327 BKYROQXKHLSLOS-NRFANRHFSA-N 435.829 5.676 30 10 IKEE C=CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(OC)cc2)c1 39872784 DPXJEFRYKCZOEJ-XMMPIXPASA-N 439.467 5.116 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc(OCC(=O)OCc4ccccc4)c3C)C2=O)cc1 41432507 IBSIOZANFKKOJK-IWIPYMOSSA-N 444.483 5.132 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(N(C)C)cc1)O3)CN(CCc1cccs1)CO2 41651771 YDKYTXWWENPWKU-UCQKPKSFSA-N 446.572 5.133 30 10 IKEE CC[C@@H](C)Oc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(C(C)(C)C)cc1)C2 59531668 BYMNWWZJXKGFIL-XQFWAAQXSA-N 445.603 6.166 30 10 IKEE C=C1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C 66348209 XWMMEBCFHUKHEX-BQCGOYODSA-N 426.729 8.025 30 10 IKEE CCCCCCCCCCCCCCCCNCc1c(OCCC)ccc2ccccc12 100125467 LIOWOSAQJDQZMF-UHFFFAOYSA-N 439.728 9.200 30 10 IKEE CCCCCCCN1C(=O)C[C@H](C(=O)NCC)S/C1=N/c1cccc(C(F)(F)F)c1 100169060 PRIKMSTYLBZXPR-DYLSKWRDSA-N 443.535 5.134 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl 100443843 LKHWRTYZOVTTNZ-UHFFFAOYSA-N 442.025 6.762 30 10 IKEE O=C1/C(=C\c2cc(Cl)cc3c2OCOC3)Oc2cc(OCc3ccccc3F)ccc21 103024116 OJVRAVBIALOSCX-LSFURLLWSA-N 438.838 5.541 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2sc(C)nc2C)=C(O)C(=O)N1c1ccc(C)c(C)c1 169943440 MJVHDFOQVIIHLB-NRFANRHFSA-N 448.544 5.168 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2C2CCCC2)cc1 170034202 PNEHAOCSFAHBJU-FQEVSTJZSA-N 440.565 5.070 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2ccccc2)cc1C 170052424 XKHIMLWQHQFKKW-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE Cn1cc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccccc2)c2ccccc21 170084184 FPAVXEPQMHJDGJ-SANMLTNESA-N 436.511 5.280 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cc(C)cc(C)c3OC)=C(O)C(=O)N2C2CCCCC2)c1 170119203 QBTRJHKPXZBXKN-HSZRJFAPSA-N 449.547 5.232 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2OC)c1 170125916 SIJITBNUYAFMGY-QHCPKHFHSA-N 435.520 5.005 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccccn2)c1C 170172844 XVXZQJABKFVQIA-DEOSSOPVSA-N 442.515 5.269 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)(C)C)c2)[C@@H]1c1ccccn1 170180314 XWBHYHNHELNUFS-QFIPXVFZSA-N 436.552 5.156 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1cccnc1 170188246 XYMJFJQKSNTKSO-QHCPKHFHSA-N 426.516 5.470 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccccc2)c1 170225546 ACUGVVWHMQTUCY-VWLOTQADSA-N 441.527 5.874 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccccc2)c1 170225592 VHJHJTCDIUIZFZ-SANMLTNESA-N 433.507 6.240 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)cc(Cl)c2OC)[C@H]1c1ccccc1 170232340 CRQUBEPNLJNBRI-GOSISDBHSA-N 434.319 5.380 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)[C@H]2c2ccco2)c(C)c1 170289543 PUZKSZXHJBEFIW-JOCHJYFZSA-N 447.874 6.079 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2c2ccc(Cl)cc2)o1 170303261 WGIBUXCUSXBZEF-JOCHJYFZSA-N 449.890 5.349 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2c2ccccc2C)o1 170305602 CQBOMUQJQTXVMN-XMMPIXPASA-N 443.543 6.285 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1sccc1C 170318790 QNZSNNCJELFTLZ-HXUWFJFHSA-N 425.594 6.041 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 170345781 FKPRYKRKLLUNKS-QFIPXVFZSA-N 431.488 5.369 30 10 IKEE CCOc1cccc(/C=C2/C[C@@](O)(C(F)(F)F)C/C(=C\c3cccc(OCC)c3)C2=O)c1 253426978 UFKQLUWTDJQQIR-UBZUOPBPSA-N 446.465 5.607 30 10 IKEE COc1ccc(C=Nc2ccc(/C=C\c3ccc(N=Cc4ccc(OC)cc4)cc3)cc2)cc1 254341183 OVYNLEMXCIOVNA-XCWZIFPCSA-N 446.550 7.375 30 10 IKEE CCN(C=Nc1c(C#N)c(-c2ccccc2)c(-c2ccccc2)n1Cc1ccccc1)CC 254484265 GPRNCHXGVFFGEO-UHFFFAOYSA-N 432.571 6.744 30 10 IKEE C[C@@]12CCC[C@@H]1[C@H]1CC[C@H]3C[C@H](OS(=O)(=O)c4ccc(F)cc4)CC[C@]3(C)[C@@H]1CC2 254507622 BNXIOYCVQJVXLJ-QDKJQOQTSA-N 434.617 6.332 30 10 IKEE CC1(C)C[C@@](C)(c2ccccc2)c2cccc3c2N1C(=O)C3=Nc1ccc2c(c1)OCCO2 254524792 VHXBRGQYPOBSKD-NDEPHWFRSA-N 438.527 5.414 30 10 IKEE Cc1c(N=Cc2ccc(C(=O)/C=C\c3ccc(Cl)cc3)o2)c(=O)n(-c2ccccc2)n1C 254555975 VKTUMLBKUFPGRW-DANTZFQUSA-N 445.906 5.378 30 10 IKEE CCCCCCCCCCC(=O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 405859137 HWUUHYOUHPWXBV-UHFFFAOYSA-N 440.422 7.510 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2ccc(F)cc2)[C@@H]1c1cccc(Cl)c1Cl 526605953 AFAODMZOPWNMAB-NRFANRHFSA-N 439.273 6.061 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(O)cc2)c1 526606103 VWLVWPYCGJOBBZ-RUZDIDTESA-N 440.499 5.500 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2cccc3ccccc23)[C@@H]1c1ccc([N+](=O)[O-])o1 526609813 HYVUNZPORIZIBZ-QHCPKHFHSA-N 437.411 5.270 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1cccc(OCC)c1O 526809409 KIXBMLCCFUJYGV-MYYYXRDXSA-N 438.597 5.516 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1c(C)[nH]c2ccccc12 526809962 YLGKBEBGJDERNS-YSMPRRRNSA-N 431.609 6.202 30 10 IKEE Cc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccc(C(F)(F)F)cc1 526821362 OSANDGWPAXKUDR-ZMFRSBBQSA-N 426.467 5.933 30 10 IKEE CC(C)Oc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)[C@H]2CCCC[C@@H]2C)cc1 586151305 SMENBUFOCHEJRV-CYFREDJKSA-N 426.582 5.115 30 10 IKEE C=CCN(c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(CCCCCC)cc1 586235546 BYNHSVCPEMDPFS-UHFFFAOYSA-N 441.515 6.089 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H]1C(C)(C)[C@]2(C#N)Nc1cccc(Br)c1 693736971 JLBHLDRVHGNNHS-LLGFUMIMSA-N 434.378 5.179 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@@H](C#N)c1cc(Br)ccc1Cl 698819598 NHWROSLKVLZJCU-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE C[C@H]1c2ccccc2C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 698968585 YOBJYYJPQAMOQJ-OYHNWAKOSA-N 427.342 5.813 30 10 IKEE CC1(C)CSC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Br)c2)C1 710710389 VYMIYZCESSZSEG-IBGZPJMESA-N 425.392 5.616 30 10 IKEE CCc1ccccc1N=C1S/C(=C/c2ccccc2O)C(=O)N1c1ccccc1CC 1082990449 SHSNUAACVIOKOU-DNKROPNVSA-N 428.557 6.326 30 10 IKEE CC(=NNc1nc(SCc2nnc(-c3ccccc3)o2)n[nH]1)c1ccc2ccccc2c1 1083865918 SJTPBKDTVBCYJV-UHFFFAOYSA-N 441.520 5.136 30 10 IKEE C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCCN(Cc2ccccc2)C1 1508017661 UHRSJZFLCNEYDX-RPBOFIJWSA-N 449.643 5.000 30 10 IKEE Cc1cc(Br)cc2c1N(CCCOc1ccc(C(C)(C)C)cc1)C(=O)C2=NO 1772729085 VZJKYNNLQXDUGX-UHFFFAOYSA-N 445.357 5.049 30 10 IKEE O=C1/C(=C/C=C\c2ccccc2[N+](=O)[O-])SC(=Nc2ccccn2)N1c1ccccc1 1772731780 QDXGURQBQTVSMR-IWNSTGHKSA-N 428.473 5.355 30 10 IKEE C/C(=C1/SC(=Nc2nnc(C)s2)N(C2CCCCC2)C1=O)c1ccc(C)c(C)c1 1772735153 FEPCKOZNPRDFJV-GLCZEUIYSA-N 426.611 5.790 30 10 IKEE C/C(=C1\SC(=Nc2cccc(C(=O)O)c2)N(C2CCCCC2)C1=O)c1ccc(N)cc1 1772738057 UIIHYVSQKHPCNC-LLLXPECQSA-N 435.549 5.294 30 10 IKEE C=CCN(CC=C)C(=O)Nc1ncccc1OCC(=O)c1ccc(-c2ccccc2)cc1 1858822610 CDFXZQAWAQKBEL-UHFFFAOYSA-N 427.504 5.216 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)c1cc2ccccc2[nH]1 1861391777 PGFSQMIDVBQLKF-OAQYLSRUSA-N 431.646 5.276 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cccc(O)c1)c1ccc(Cl)cc1Cl 1862382138 LHXQEPVNOJHXBY-IBGZPJMESA-N 432.303 5.220 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(OCc2ccccc2)cc1 1862423360 ADNUYFJJGNUCAK-HSZRJFAPSA-N 449.453 5.142 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccc(C)cc2)cc1 1862475057 BXGSCNFIZHLETH-XMMPIXPASA-N 429.491 5.264 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(F)cc1 1862490471 WGEFCBWPFOYCNB-QHCPKHFHSA-N 439.527 5.228 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccccc2C(=O)O)c1 1862493812 YJACVANXXMQYRM-OAOOKAIFSA-N 447.531 5.159 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccccc2Cl)c1 1862503342 WBFVAZNOCZWOPE-HSZRJFAPSA-N 449.909 5.874 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2cccc(C)c2)cc1 1862507992 WNKWHRSZVNEHAS-RUZDIDTESA-N 443.518 5.572 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccccc2)cc1F 1862636385 GBTLSXJDDFJCJH-QHCPKHFHSA-N 437.511 5.526 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2[C@H](C)c2ccccc2)c1 1862648787 JTDIZHUERWJEKI-NFQMXDRXSA-N 447.534 6.488 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(F)cc1F)c1cccc2ccccc12 1862650750 CHPFAOOKFCOMEW-DEOSSOPVSA-N 447.481 6.029 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CC(C)C)cc1 1862656143 XIFBIGXUTGQPEQ-VWLOTQADSA-N 443.543 5.863 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(Cl)cc2)[C@@H]1c1cccc(F)c1)c1ccc(F)cc1 1862672355 BDAHUFHDQRJKTN-OAQYLSRUSA-N 439.845 5.397 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2C)c1 1862674573 PHJJLNNXTGLPQX-XMMPIXPASA-N 429.491 5.529 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2Cl)cc1 1862688823 BLFPCEUYJBAADW-OAQYLSRUSA-N 425.912 5.260 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccc(F)cc2)c1 1862702670 JDIWMCQUMRPLEY-HSZRJFAPSA-N 437.511 5.526 30 10 IKEE CC(C)(C)c1ccccc1NC1=C(c2ccccc2F)C(=O)N(c2cccc(C#N)c2)C1=O 1862927197 LYPMJKAIVMPVKI-UHFFFAOYSA-N 439.490 5.391 30 10 IKEE CCCOc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(C)cc3)C2=O)cc1 1862973815 HQVBZUBCVFHWKW-UHFFFAOYSA-N 437.499 5.052 30 10 IKEE Cc1ccc(NC2=C(c3ccc(F)c(C)c3)C(=O)N(c3ccccc3C#N)C2=O)c(C)c1 1863100235 CTIAOWUXBPXSGQ-UHFFFAOYSA-N 425.463 5.019 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(F)cc2)C(=O)N(Cc2ccncc2)C1=O 1863504483 RCEANCPMFWWPBD-UHFFFAOYSA-N 437.559 5.231 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2Cl)c(=O)cc1CN(CC)CCO 1870340845 ZKNCHHCTHNQOQZ-UHFFFAOYSA-N 449.035 5.255 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2C)c(CN2C[C@@H](C)O[C@H](C)C2)cc1=O 1870412824 JVGYJSZOOFDAAZ-DHIUTWEWSA-N 440.628 5.163 30 10 IKEE CCCCCCCOc1cn(CCC2=CCCCC2)c(CN2C[C@H](C)O[C@@H](C)C2)cc1=O 1870416895 UYXMJHIPRBTJAZ-GOTSBHOMSA-N 444.660 5.697 30 10 IKEE CCCCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CN1C[C@H](C)C[C@@H](C)C1 1870611986 IBBKIFITTXWTPO-JWQCQUIFSA-N 444.704 6.812 30 10 IKEE CCCCCCCCn1cc(OCc2ccc([N+](=O)[O-])cc2)c(=O)cc1CN(CC)CC 1870684676 LMWIFCDJLQFUAZ-UHFFFAOYSA-N 443.588 5.538 30 10 IKEE CCCCCCCCCCn1cc(OCCO)c(=O)cc1CNc1ccccc1C(C)C 1870791998 VWLWWBXGNYBPSC-UHFFFAOYSA-N 442.644 6.096 30 10 IKEE C=CCOc1cn(CCc2ccc(OC)cc2)c(CNc2ccc(F)c(Cl)c2)cc1=O 1870810505 GACWGSLUYRHXHP-UHFFFAOYSA-N 442.918 5.069 30 10 IKEE C#CCOc1cn(CCCC)c(CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1=O 1871005288 YPQUHEWEUGIWCD-UHFFFAOYSA-N 446.391 5.310 30 10 IKEE C=CCn1cc(OCc2c(Cl)cccc2Cl)c(=O)cc1CNc1ccccc1C 1871049722 ORIPWKPDHCJYGR-UHFFFAOYSA-N 429.347 5.841 30 10 IKEE COc1cccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN([C@H]2CCCC[C@@H]2C)C4)c1OC 1871351360 WXRZMQRLZNJCRH-FHJOSAIKSA-N 449.547 5.359 30 10 IKEE CCCCCCN1COc2c(cc3c(c2C)O/C(=C\c2cc(OC)ccc2OC)C3=O)C1 1871353050 AZCODEPHBIAXSJ-UCQKPKSFSA-N 437.536 5.361 30 10 IKEE Cc1ccc(OCC(=O)Oc2cc(C)c3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871370399 ZSJMFMJMBDIDAM-FYPXMSKISA-N 426.468 5.460 30 10 IKEE CCOc1ccc(CC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871375618 VCMFLURBKYSLTD-QRVIBDJDSA-N 432.447 5.297 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)c1 1871387153 HKARZJQMUYEJQP-UUYOSTAYSA-N 434.875 5.883 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OC(=O)c3cccc(OC(C)C)c3)cc(C)c2C1=O 1871388418 VMCUAICLUPTFQO-OYKKKHCWSA-N 428.484 5.926 30 10 IKEE Cc1cc(O)c(CN(Cc2ccccc2)C(C)C)c2c1C(=O)/C(=C/C=C/c1ccccc1)O2 1871395527 VGVCUZBNZVZRIR-QPFJXIFFSA-N 439.555 6.284 30 10 IKEE CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1cccs1)C2=O 1871403548 ZADAZZKRZCRGGI-VOMLJKFNSA-N 449.528 5.477 30 10 IKEE COc1cccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccc(C)cc4)cc(C)c3C2=O)c1 1871405602 DDIKRELJGAWGPL-YNJLWJOVSA-N 443.499 5.334 30 10 IKEE O=C1/C(=C/c2ccco2)Oc2cc(OCC(=O)N(c3ccccc3)c3ccccc3)ccc21 1871417195 MLQHQBJKIPRMBN-UQQQWYQISA-N 437.451 5.640 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(C)cc1)C2=O 1871424826 XESCLJOHZKGOAV-IWIPYMOSSA-N 441.527 5.808 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1cccc(F)c1)C2=O 1871430395 JFZRVJCMCNXOGR-QRAWFLTRSA-N 445.490 5.773 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCCC(=O)Nc4ccc(C)cc4)ccc3C2=O)cc1 1871430515 FATQJMACRXPLOQ-XYGWBWBKSA-N 443.499 5.418 30 10 IKEE Cc1cc(OCc2ccccc2C#N)cc2c1C(=O)/C(=C/c1c(Cl)cccc1Cl)O2 1871437040 GTJOFFUSYSDDIZ-JJFYIABZSA-N 436.294 6.369 30 10 IKEE C=CCN(CC=C)c1nc(=NCc2ccccc2)nc(Nc2ccc(C(C)(C)C)cc2)[nH]1 1871554360 IYSJYTNEUACRKS-UHFFFAOYSA-N 428.584 5.125 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(C)c(Cl)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1871808872 NVUXJPGOMXMJFM-HTAPYJJXSA-N 449.016 5.187 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(-c2ccccc2C)cc1)C(C)C)S(=O)(=O)CCCC 1872203924 RNRBPOXVSSRXCC-DEOSSOPVSA-N 442.625 5.243 30 10 IKEE C=CCN([C@@H](C(=O)Nc1cccc(Cl)c1C)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872423654 VHMXSEBIGXBACX-JOCHJYFZSA-N 449.016 5.105 30 10 IKEE C=CCN([C@H](C(=O)Nc1cccc(C)c1C)[C@@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872521313 HJKICKGKWYYPLQ-XDHUDOTRSA-N 442.625 5.150 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(C(C)C)cc3)n2)cc1 1872762400 LPIXTWTXJFXJPC-JOPVOSQUSA-N 428.601 7.166 30 10 IKEE COc1cc(OC)c(-c2csc([C@H](C#N)C(=O)c3ccnc(Cl)c3)n2)cc1Cl 1872782398 IYAJYNABZXIIBE-GFCCVEGCSA-N 434.304 5.019 30 10 IKEE COc1cc(/C=N/Nc2oc(-c3ccccc3)nc2C#N)ccc1OCc1ccc(C)cc1 1873471057 VNLBDPZUJGCOFZ-LQKURTRISA-N 438.487 5.555 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1ccc(Cl)cc1 1874223969 MEIUGPLISDQTOE-KOEQRZSOSA-N 441.000 5.666 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1ccc(N(C)C)cc1 1874258201 OTXRNKDCJTVFBZ-WGOQTCKBSA-N 449.624 5.426 30 10 IKEE CCCSc1nnc(COc2c(C)cccc2C)n1/N=C/c1cn(C)c2ccccc12 1874299995 COZIIWNWDQHMIX-AFUMVMLFSA-N 433.581 5.350 30 10 IKEE Cc1ccccc1/C=N/n1c(COCc2ccccc2)nnc1SCc1cccc(F)c1 1874353792 BBVBMASKBBRNTR-JFLMPSFJSA-N 446.551 5.617 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3F)n2/N=C/c2ccc(O)cc2)cc1C 1874358529 MKDSGJYLWBOXSC-JFLMPSFJSA-N 446.551 5.505 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3F)n2/N=C/c2ccc(F)cc2)cc1C 1874358597 PVVXOCUAYXXSNW-RWPZCVJISA-N 448.542 5.938 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2-c2ccccc2)cc1 1874426582 PKUSYEYFMJJQKG-JVWAILMASA-N 430.552 6.382 30 10 IKEE COC(=O)c1ccc(CSc2nnc(CC(C)(C)C)n2/N=C/c2cccc(Cl)c2)o1 1874438138 LXDYDKGGWHZXCD-FSJBWODESA-N 446.960 5.074 30 10 IKEE CCCOc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCCc2ccccc2)cc1 1874439912 ZISAWHOAPDKEGQ-LGUFXXKBSA-N 436.625 5.873 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2[C@H]2CCCO2)cc1 1874445816 LSBXDXBDHTZFAW-RYEBZEHMSA-N 436.581 5.135 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2c(F)cccc2Cl)nnc1C(F)(F)F 1874463295 BGLILRXTZMYRDS-PGGKNCGUSA-N 444.841 5.273 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc(C(=O)OC)cc1 1874478845 VBOUBVUOVYYLNO-ZVHZXABRSA-N 442.972 5.235 30 10 IKEE COc1cccc(/C=C/C(=O)c2cccc3ccccc23)c1OCC(=O)NCc1ccco1 1874583288 GQRIIEQLVRJLLF-CCEZHUSRSA-N 441.483 5.033 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(C(C)C)cc2)c1OCCc1ccccc1 1874583491 PVJBHTYQQILRLP-BUHFOSPRSA-N 434.963 6.990 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cccc(OCC(=O)Nc2cc(C)ccc2C)c1 1874599637 XAMWAKHVDKKIDL-VAWYXSNFSA-N 443.543 5.842 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)cc2)cc1C 1874603899 KFNOIWPCNGUYHI-MHWRWJLKSA-N 439.555 6.096 30 10 IKEE C=C(C)COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1Br 1874605891 KQXXXZXKXGAKHK-XVNBXDOJSA-N 426.137 6.607 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1C 1874607484 QESQYOUPQZIXBK-WLEBTQASSA-N 429.516 5.156 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OCC(=O)NC2CCCCC2)c(Cl)c1 1874610540 YCFHWHIYOICXCM-ACCUITESSA-N 427.928 5.072 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)OCC(C)C)c(Cl)c2)cc1 1874616504 DOUVSFJGOOJFFM-VZUCSPMQSA-N 430.928 5.603 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)ccc1OCc1ccccc1C 1874622040 IVXBACODRKHXPM-DHZHZOJOSA-N 430.500 5.640 30 10 IKEE CCOc1c(Br)cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc1OC 1874634460 COAUGEUXYQIGCG-VOTSOKGWSA-N 439.733 5.723 30 10 IKEE CCCOc1ccc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1Br 1874637316 TUKLQXSHPWGKRX-GQCTYLIASA-N 444.152 6.449 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OCC(=O)Nc2ccccc2F)cc1 1874638731 OUYSQSDTQHYTCZ-XYOKQWHBSA-N 439.870 5.401 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OC(=O)c1c(OC)cccc1OC 1874702844 MMOUXAMRLRBAJS-GXDHUFHOSA-N 432.472 5.136 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4ccccc4c3)cc2OC)c1 1875095738 DVKHRGLCZREGNF-GXDHUFHOSA-N 438.479 5.972 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)cc3)c(Cl)c2)cc1 1875106465 ACJDBUBJEBHESD-FOWTUZBSSA-N 446.974 7.035 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3ccc(F)cc3)c(OC)c2)cc1 1875110676 WKLYHNXNLIBCJN-KGVSQERTSA-N 440.854 5.612 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)c1cncc(C)c1 1875123645 WUTUOJXXYGXXNG-VOTSOKGWSA-N 442.298 5.821 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2[N+](=O)[O-])cc1 1875126742 AYBONQNCYMWHNZ-NTEUORMPSA-N 431.444 5.038 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)c(C)c1 1875131044 FSHJHEQIMYTVOV-WUXMJOGZSA-N 435.863 5.980 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cc(C)ccc3C)c([N+](=O)[O-])c2)c(C)c1 1875134647 DCDFOMJEWDANOW-DHZHZOJOSA-N 443.499 5.873 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)CC12CC3CC(CC(C3)C1)C2 1875136857 ZUDTYSSWJLYLMK-WEVVVXLNSA-N 444.571 6.412 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(Cl)c(OC(=O)CC(C)(C)C)c(OC)c1 1875143862 URTFRBZOIQROHU-CMDGGOBGSA-N 430.928 5.903 30 10 IKEE COc1cc(C(=O)/C=C/c2ccc(OC(=O)CC(C)C)c(OC)c2)c(OC)cc1Cl 1875173351 JQQOEZCMTNCJHG-SOFGYWHQSA-N 432.900 5.213 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)C(C)C)c(OC)c2)c(OCC)c1 1875177901 NFHNXFMGVMEOSO-DHZHZOJOSA-N 446.927 5.604 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1880357498 QAPMEYABPSYPCV-UQBPGWFLSA-N 443.588 5.353 30 10 IKEE O=C(Nc1cccc(Oc2ccc(F)cc2)c1)c1ccc(C(F)(F)F)cc1C(F)(F)F 1890703985 CPYBCSBRAUNBOO-UHFFFAOYSA-N 443.318 6.908 30 10 IKEE N#Cc1ccc(OC2CCN(C(=O)c3cc(-c4ccc(-c5ccccc5)cc4)on3)CC2)cc1 1891526309 WTDOVFCBQNACGV-UHFFFAOYSA-N 449.510 5.564 30 10 IKEE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(CC#N)cc1 1901534557 KORZIBWHGXDQJE-RUZDIDTESA-N 439.515 5.008 30 10 IKEE CCCCCCC[C@@](C)(O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1917173717 HUABBMWAKHAKLP-ZEQKJWHPSA-N 439.552 5.090 30 10 IKEE C=CCC1(NCc2sc(C)cc2Br)CCN(C(=O)OC(C)(C)C)CC1 1924532819 GFTCQOSTVZPXIG-UHFFFAOYSA-N 429.424 5.254 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)C2CCN(C(=O)OC(C)(C)C)CC2)c1 1944715265 RRHMZZXKXDBTEC-HXUWFJFHSA-N 429.561 5.276 30 10 IKEE CCC[C@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 1945773223 NMMVETKKCTUTFD-APWZRJJASA-N 435.540 5.400 30 10 IKEE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)[C@@H]2C[C@H](C(C)(C)C)CC[C@@H]2C#N)C1 2006130888 VGZVEQBQMJTGNE-MQSCRBSSSA-N 425.617 5.462 30 10 IKEE C=CCCCCCCCCC[C@H](O)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2026314375 UCTGDKVUOYGYBO-RPWUZVMVSA-N 433.633 6.154 30 10 IKEE CC(C)N[C@]1(C#N)C[C@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)CC[C@@H]1C 2055585055 NYQKEAZDODMEFJ-VCTRFXNDSA-N 432.656 5.070 30 10 IKEE CC[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(OC)c1 2067965184 XNHWZXJRBPLAQE-YADARESESA-N 445.560 5.118 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)[C@H]1C1CC1 2067978211 CACRAWOJWJZKGI-DVECYGJZSA-N 445.535 5.249 30 10 IKEE N[C@H](CC#CC1CC1)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071343674 FYILVRCTCATNFU-LEAFIULHSA-N 427.544 5.009 30 10 IKEE Cc1ccc([C@@H](n2nc(C3(C)CC3)c(C#N)c2I)C2(C)CC2)cc1 2079024589 GJZLELXXRUCVBK-QGZVFWFLSA-N 431.321 5.109 30 10 IKEE CC1(c2nn([C@@H](c3ccc(C(F)(F)F)cc3F)C3CC3)c(Br)c2C#N)CC1 2079943682 FYCHHHUIMPOJHN-OAHLLOKOSA-N 442.254 5.726 30 10 IKEE Oc1c2c(nc3c(-c4c(F)cccc4C(F)(F)F)c(C(F)(F)F)nn13)CCSC2 2081492043 HMBLMDFCXNESKZ-UHFFFAOYSA-N 437.340 5.068 30 10 IKEE C=C([C@@H](NCCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1)C(C)(C)C 2096629284 ATLMAPZYCPNOFV-GOSISDBHSA-N 425.411 6.439 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1CCNc1cc(Br)cc(F)c1C#N 2107443802 OQKXDMPYDDVVLS-AWEZNQCLSA-N 426.330 5.051 30 10 IKEE CN(CCN(Cc1ccccc1)C[C@@](C#N)(NC1CC1)C1CCCCC1)Cc1ccccc1 2142974669 UYZAZARLAXLSGU-GDLZYMKVSA-N 444.667 5.215 30 10 IKEE CC(C)(C)OC(=O)NC1CCC2(CC1)CC(C#N)(Nc1ccc(Br)cc1)C2 2176713869 GCNLUVBNXBFURK-UHFFFAOYSA-N 434.378 5.371 30 10 IKEE C#CC[C@H](C[C@@H](NCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1)C1CC1 2196857837 XZWGMRZCFMWDEU-OXQOHEQNSA-N 435.406 5.886 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](Cc2ccc(C)c(Br)c2)NCCC)C1 2197748662 MPGXNCLOQKOUGM-IBGZPJMESA-N 437.422 5.282 30 10 IKEE C=CCC[C@](C)(CO)N(CC(F)(F)F)C(=O)OCC1c2ccccc2-c2ccccc21 2209684164 XYCIIFQQGCBRPB-HSZRJFAPSA-N 433.470 5.517 30 10 IKEE C=CCCCCCCC[C@@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCC 2220088329 UYMCVHXKZDIKJX-DQEYMECFSA-N 446.676 6.381 30 10 IKEE C=C(CC)C[C@H](NCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2229124774 VKFJXQXPPMIBGR-OALUTQOASA-N 425.411 5.219 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)CC1(NC(=O)OC(C)(C)C)CCC1 2235747903 UNXOTVJNSOFSDH-SFHVURJKSA-N 435.406 5.006 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2c(F)ccc(Br)c2F)c1 2239742129 BSHWYQUPLBDSEA-INIZCTEOSA-N 437.284 6.042 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@H]1C[C@@H]2C[C@H](C1)CN(C(=O)OC(C)(C)C)C2 2249753256 DQDOZKVDMXVRIA-KIHHCIJBSA-N 428.617 5.021 30 10 IKEE C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(Cl)c1 2255784672 QHVLXMUEBFVLPY-KRWDZBQOSA-N 439.792 5.080 30 10 IKEE C=CC[C@@]1(COc2cc(NC(=O)OC(C)(C)C)ccc2N)CCCN1C(=O)OC(C)(C)C 2259482181 BLFGOMZHYMIHJO-DEOSSOPVSA-N 447.576 5.340 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCC)c2cc(F)cc(Br)c2F)C1 2288488342 HMYNBCNEQJFEPY-QGZVFWFLSA-N 445.348 5.239 30 10 IKEE COc1ccc(C=C2SC(=Nc3ccccc3)N(Cc3ccc(C(=O)O)cc3)C2=O)cc1 2293381563 LSXATXKKAPZBLS-UHFFFAOYSA-N 444.512 5.198 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)CN(C(=O)OC(C)(C)C)C(C)(C)C 2296218244 BVZGWSOWSFJCPD-IBGZPJMESA-N 437.422 5.204 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@H]1CN(Cc2ccccc2)C(C)(C)C1 2296219810 RPZHGKHZECSXAW-GGAORHGYSA-N 425.414 5.079 30 10 IKEE Cc1ccc([C@@H](O)C#Cc2ccc(Br)cc2)c(NC(=O)OC(C)(C)C)c1C 2296276795 LZPKJFJYCCSFIT-IBGZPJMESA-N 430.342 5.498 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)C[C@@H](CCC)NC(=O)OC(C)(C)C 2296308575 KEZNEXNIXKFTLZ-WOJBJXKFSA-N 437.422 5.252 30 10 IKEE CCn1cc(C=C2Oc3cc(OCc4ccccc4Cl)ccc3C2=O)c2ccccc21 2296589041 XEMGDIDTYNMEJB-UHFFFAOYSA-N 429.903 6.510 30 10 IKEE Cc1ccc(C)c(COc2ccc3c(c2)OC(=Cc2cc(Cl)cc4c2OCOC4)C3=O)c1 2296871195 CJICIXXDVDZADR-UHFFFAOYSA-N 448.902 6.019 30 10 IKEE CCc1ccccc1N=C1SC(=Cc2ccccc2F)C(=O)N1c1ccccc1CC 2297455833 FSAUDCMJXZUFGS-UHFFFAOYSA-N 430.548 6.759 30 10 IKEE O=C(C=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1cc2ccccc2oc1=O 2297576280 GKWUTTDDNKWAOM-UHFFFAOYSA-N 436.442 5.681 30 10 IKEE O=C(C=Cc1ccc([N+](=O)[O-])cc1)c1c(O)nc2ccc(Cl)cc2c1-c1ccccc1 2297709167 CUJOTAGGSCRGOE-UHFFFAOYSA-N 430.847 6.065 30 10 IKEE CC(=C1SC(=Nc2cccc(C)n2)N(c2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1 2314540058 HWLMVDDQFSNUCF-UHFFFAOYSA-N 430.489 5.497 30 10 IKEE C=CCC1([C@@H](N)c2cc(Cl)cc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2315457839 GWAAUHKMVWXVMV-HNNXBMFYSA-N 433.749 5.055 30 10 IKEE CC1(C)OB(c2cc(Cl)cnc2Nc2ccccc2OCc2ccccc2)OC1(C)C 2317219501 ZSTDOBDYGOLRFM-UHFFFAOYSA-N 436.748 5.357 30 10 IKEE CCCCC[C@H](CC)N1COc2c(cc3c(c2C)OC(=Cc2ccccc2OC)C3=O)C1 2322356679 AIUFYOSXPMLBDF-NRFANRHFSA-N 435.564 6.131 30 10 IKEE O=C(C=Cc1c(OCc2cccc3ccccc23)ccc2ccccc12)c1ccccc1Cl 2322436528 FTNXHUCHEGNART-UHFFFAOYSA-N 448.949 8.122 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 2322687507 PJPAHHGCQIZCCE-UHFFFAOYSA-N 449.934 7.021 30 10 IKEE O=C(C=Cc1c(OCCc2ccccc2)ccc2ccccc12)c1cccc2ccccc12 2322722440 CNPJHKZLJVOYAW-UHFFFAOYSA-N 428.531 7.511 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(Cl)cc2C=CC(=O)c2ccc(C)c(C)c2)c(C)c1 2322894440 RAGRURGNACEJIA-UHFFFAOYSA-N 447.962 6.487 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCc3ccccc3F)ccc3ccccc23)cc1Cl 2322975065 IOCPKHSMAZQBRI-UHFFFAOYSA-N 446.905 7.116 30 10 IKEE Cc1ccc(NC(=O)COc2cccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)c2)c(C)c1 2323190104 ICEYSRVDSAPNIV-UHFFFAOYSA-N 441.571 6.515 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4ccc(Cl)c(Cl)c4)cc(C)c3C2=O)o1 2323259884 SDHUMVZEEANHRQ-UHFFFAOYSA-N 429.255 6.039 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3ccc(C)cc3C)c2)cc1Cl 2323310589 OFDRYSCYGDBWOX-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCCOc1ccccc1C=CC(=O)Oc1ccc2c(c1)OC(=Cc1ccc(C)o1)C2=O 2323341422 XHFZLCSFOLIRMR-UHFFFAOYSA-N 430.456 5.612 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1 2323370513 OBFGYMXRGLNYOI-UHFFFAOYSA-N 442.511 5.973 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2F)cc(OC)c1OCC(=O)OCC(C)C 2323739786 NWWIDSXIHOVWNU-UHFFFAOYSA-N 444.474 5.176 30 10 IKEE CC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(Cl)cc2)C3=O)c1 2323900544 BHJNTTZOQDEDKH-UHFFFAOYSA-N 448.858 5.409 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OCC(=O)Nc1cccc(C)c1C 2323985681 WZIGTGLAMJHJOI-UHFFFAOYSA-N 447.506 5.673 30 10 IKEE Cc1cc(O)c(CN2C[C@@H](C)O[C@H](C)C2)c2c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O2 2324018041 WNARYTFGPLYYBP-ZIAGYGMSSA-N 448.346 5.233 30 10 IKEE C=C(C)COc1c(Cl)cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1OCC 2324283542 KMWOBENDJQFIIB-UHFFFAOYSA-N 448.946 7.382 30 10 IKEE CCc1cccc(CC)c1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1ccccc1)C2=O 2324381433 SDIPGVSZTMQKIH-SFHVURJKSA-N 441.527 5.834 30 10 IKEE Cc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccc(F)cc1)C2=O 2324407472 ZNZDUWICEVYONZ-QGZVFWFLSA-N 431.463 5.465 30 10 IKEE COc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1 2324676978 ADPBZETWVOUHFJ-OAQYLSRUSA-N 446.572 6.014 30 10 IKEE Cc1cc(C)c(COc2cc(C)c3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)cc1C 2324765317 WNWXXDYRUGDUSR-UHFFFAOYSA-N 429.472 6.024 30 10 IKEE CCCC[C@@H](Oc1ccc2c(c1)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O)C(=O)O 2324778017 IKOLHUGVBLXXTJ-HSZRJFAPSA-N 428.484 5.992 30 10 IKEE CCc1ccc(NC(=O)[C@@H](CC)Oc2ccc3c(c2C)OC(=Cc2cccs2)C3=O)cc1 2324817095 DNKVGCLSMOICFP-OAQYLSRUSA-N 447.556 6.031 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC)c(OC(=O)CCc3ccccc3OC)c2)c1 2325706852 IWQURRMUVGAOFA-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C=CC(=O)c3ccc(OC)cc3)ccc2OC)cc1 2325718232 DRGKIZIBWKTSED-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE CCCc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 2325722272 QYVUNBNUGKRLQB-UHFFFAOYSA-N 445.471 5.428 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1OC(=O)Cc1ccc(C)c(C)c1 2325728945 AHIPREIUEIHDBB-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OC(=O)Cc1ccc(F)c(C)c1 2325741110 KIPNWHQKCGXKNA-UHFFFAOYSA-N 436.454 5.634 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3cccc(C)c3C)c2)cc1F 2325748508 CVSSKGWOQJSXLD-UHFFFAOYSA-N 434.463 5.332 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)CCOc3ccccc3)c2)c(C)c1C 2325755712 JDOBWPPVTKXFDO-UHFFFAOYSA-N 430.500 5.583 30 10 IKEE C=CCSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1ccc(OC)cc1 2325913443 GXDNMUZWVYVGQL-UHFFFAOYSA-N 449.363 5.333 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C=Cc1ccco1 2325917524 BVEPABIADXVXBZ-XMMPIXPASA-N 442.575 5.416 30 10 IKEE CCOc1cc(C=Nn2c(CC)nnc2SCc2cccc(C)c2)ccc1OC(C)C 2326379927 OPVJVFPRBXYHRT-UHFFFAOYSA-N 438.597 5.509 30 10 IKEE CCOc1ccc(C=Nn2c(CC)nnc2SCc2ccc(C)cc2C)c(OCC)c1 2326442368 BKOMILFVMZCMIP-UHFFFAOYSA-N 438.597 5.429 30 10 IKEE CCCCOc1cccc(C=Nn2c(C)nnc2SCc2cccc3ccccc23)c1 2326637363 XDFUUJSOMPHKOH-UHFFFAOYSA-N 430.577 6.093 30 10 IKEE N#Cc1ccc(CSc2nnc(CCc3ccccc3)n2N=Cc2cccc(F)c2)cc1 2326684140 HAXJEDDBGXMBRZ-UHFFFAOYSA-N 441.535 5.249 30 10 IKEE C=C(C)CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccc(CC)cc1 2326912095 JGVZJRXEOHYMKM-UHFFFAOYSA-N 434.653 6.150 30 10 IKEE C=C(C)CSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1ccc(Cl)cc1 2328156053 FXTGATKLIIWVBY-UHFFFAOYSA-N 431.049 6.946 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCOc3ccccc3)n2N=Cc2ccccc2)c1 2329200188 PNBXVFKZZRNMKW-UHFFFAOYSA-N 442.588 5.691 30 10 IKEE Cc1ccc(C=Nn2c(Cc3ccc(C)c(C)c3)nnc2SCCc2ccccc2)cc1 2329430322 FAXDQBICNAZFFZ-UHFFFAOYSA-N 440.616 6.011 30 10 IKEE Cc1ccc(C=Nn2c(Cc3ccccc3F)nnc2SCc2ccccc2C)cc1 2329703219 ZYESZPIFXQZUCA-UHFFFAOYSA-N 430.552 5.799 30 10 IKEE Cc1ccc(O)c(C=Nn2c(CC3CCCCC3)nnc2SCc2ccccc2F)c1 2330272753 ICGOFDMFNIGYPP-UHFFFAOYSA-N 438.572 5.729 30 10 IKEE Cc1ccc(O)c(C=Nn2c(Cc3ccccc3)nnc2SCc2cc(C)ccc2C)c1 2330492507 BBUATAUSGUWCCF-UHFFFAOYSA-N 442.588 5.674 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)cc2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 2330625239 NOCZXGUNOREQKR-UHFFFAOYSA-N 425.799 5.503 30 10 IKEE COc1cccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc4ccccc4c3)cc2)c1 2330653608 UELUDTXDGWTOCA-UHFFFAOYSA-N 438.479 5.729 30 10 IKEE CCCSc1nnc(-c2ccccc2)n1N=Cc1ccc(OCc2ccccc2)cc1 2330681438 OVFOHEPMSVDHEZ-UHFFFAOYSA-N 428.561 5.908 30 10 IKEE COc1ccc(OC)c(C=Nn2c(CC(C)(C)C)nnc2SCCc2ccccc2)c1 2330850991 VFHUMNQAIOKABX-UHFFFAOYSA-N 438.597 5.101 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COCc3ccccc3)c(OC)c2)cc1C 2330881095 QSEBUHWMSGOHBK-UHFFFAOYSA-N 446.499 5.031 30 10 IKEE CCCSc1nnc([C@H]2CCCO2)n1N=Cc1ccc(OCc2ccccc2C)cc1 2330975582 AZSOZMKQEYKVOE-JOCHJYFZSA-N 436.581 5.401 30 10 IKEE Oc1cccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C(F)(F)F)c1 2331149624 LKDFPBLBOXYRLQ-UHFFFAOYSA-N 447.269 5.484 30 10 IKEE COc1ccccc1C(=O)Oc1c(OC)cc(C=CC(=O)c2cc(C)ccc2C)cc1OC 2331318569 ASGDQUWRAOSILX-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(-n4cccc4)cc3)cc2)cc1 2331411981 YSBPNKYVVYRXGZ-UHFFFAOYSA-N 449.550 6.890 30 10 IKEE Cc1ccccc1CSc1nnc(CC(C)C)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2331431285 KKLZXKYAEWAPOY-UHFFFAOYSA-N 443.960 5.521 30 10 IKEE COc1cccc(C=Nn2c(CC(C)C)nnc2SCc2c(F)cccc2Cl)c1O 2331477400 OQIWVZVJILKZRA-UHFFFAOYSA-N 448.951 5.158 30 10 IKEE COCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(F)cc1 2331611773 CDPGEQMFSCXXIH-UHFFFAOYSA-N 425.316 5.045 30 10 IKEE CCC(=O)Oc1c(OC)cc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)cc1OC 2331636409 TUKQGJMWTRQNNB-UHFFFAOYSA-N 439.291 5.231 30 10 IKEE CC(C)c1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(Br)cc1 2331687405 DZJAUVNIFXESIQ-UHFFFAOYSA-N 433.350 5.478 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)C2CCC2)c([N+](=O)[O-])c1 2331757198 FHFDKTWLWPGGRF-UHFFFAOYSA-N 429.856 5.167 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2cc3ccccc3n2C)cc1 2331875068 FVDVEUFPJPFDRY-UHFFFAOYSA-N 445.902 5.956 30 10 IKEE N#Cc1nnn(-c2ccc(Oc3ccccc3)cc2)c1NC(=O)C=Cc1ccc(Cl)cc1 2332187255 GPVWMFGPIHPXFJ-UHFFFAOYSA-N 441.878 5.237 30 10 IKEE CC(C)(C)c1cc(/C=N/[C@@H](c2ccccc2)[C@H](O)c2ccccc2)c(O)c(C(C)(C)C)c1 6995580 IXZSHYIACBWIFQ-LWTGJLCQSA-N 429.604 6.881 30 10 IKEE CN1/C(=C2\S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=O)Sc2ccccc21 13601047 QDBBGXGYZMJDNC-NBGSVBRJSA-N 427.639 5.994 30 10 IKEE C=CCOc1ccc(NC(=S)NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 14039244 NMBXNNBWTDCNAK-UHFFFAOYSA-N 439.364 5.230 30 10 IKEE COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(O)c(OC)c2)c1 20883096 WTFNHJDEGNYJKL-DNOBIOAJSA-N 442.515 5.389 30 10 IKEE O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccc(O)c([N+](=O)[O-])c1)Nc1ccccc1N2 21219208 DPLRJNQUZZXSFB-NSYGIPOTSA-N 427.460 5.280 30 10 IKEE O=C1C[C@@H](c2ccccc2Cl)CC2=C1[C@@H](c1ccc([N+](=O)[O-])cc1)Nc1ccccc1N2 21220046 MGZWLRUREAQEOD-IVCQMTBJSA-N 445.906 6.228 30 10 IKEE COc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(C(C)C)cc1 21252248 AAHZSZKCYHXWCV-PBBNMVCDSA-N 438.571 6.798 30 10 IKEE Cc1ccc(/N=C2\NC(=S)N(c3cccc(Cl)c3)C23CCC(C(C)(C)C)CC3)cc1 27471965 WPAUPWMNOCFCLI-UHFFFAOYSA-N 440.056 7.048 30 10 IKEE Cc1ccc(-c2ccc(/C=C3/S/C(=N\c4ccccc4Cl)NC3=O)o2)cc1Cl 33347648 RMJKYYMMAZHFKE-YBFXNURJSA-N 429.328 6.453 30 10 IKEE O=C(Nc1ccc(Cl)cc1)O/N=C1\CCc2c1cc1ccccc1c2Br 33785442 GMGFFRZTGDQVCV-HKOYGPOVSA-N 429.701 6.155 30 10 IKEE CCOC(=O)c1c(N/C(S)=N/C(=O)/C=C\c2cccs2)sc2c1CC[C@H](C)C2 33921279 WBWQVNBDWSJDHD-UPZNUWHASA-N 434.608 5.049 30 10 IKEE COc1ccccc1C(=O)Oc1ccccc1/C=C/C(=O)c1ccc(-c2ccccc2)cc1 34954573 FUZIFPPMZVXMOP-FMQUCBEESA-N 434.491 6.478 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O)c1ccccc1 38321006 MFKKKTXWPFBKOV-UUYOSTAYSA-N 425.267 5.871 30 10 IKEE C=CCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCCC)cc1OC 38609792 VYCBEVIIZHESHL-RUZDIDTESA-N 447.535 5.091 30 10 IKEE C=CCN1C(=O)c2[nH]nc(-c3cc(Cl)c(C)cc3O)c2[C@H]1c1ccc(C(C)(C)C)cc1 39914507 XLADBYTYGAIZJY-HSZRJFAPSA-N 435.955 5.773 30 10 IKEE C[C@@H]1CCc2c(C#N)c(NC(=O)COc3cccc(Br)c3)sc(=S)c2C1 41014808 HJGUTIOGMWYTJV-LLVKDONJSA-N 449.395 5.254 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OC(=O)Cc4ccccc4)ccc3C2=O)cc1 62926586 VORPLPDUOJLROM-XYGWBWBKSA-N 427.500 5.297 30 10 IKEE COC(=O)c1ccc(/C=C(\C(=O)c2ccc(OC)c(OC)c2)c2nc3ccccc3o2)cc1 97514624 GIDXKFVGVVMQDH-XMHGGMMESA-N 443.455 5.055 30 10 IKEE Cc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC(=O)N2C)cc1C 100262474 LDBJXKVVLUWFMK-BJUXRVGASA-N 436.364 5.200 30 10 IKEE CCCCCCCOc1cccc(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)c1 100291079 NUWRPHZJMZNIRN-NTCAYCPXSA-N 431.001 6.216 30 10 IKEE C=CCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1cccc(C)c1)CC2 105022722 KDWPIOPOLORVBC-DFHRPNOPSA-N 440.587 5.212 30 10 IKEE Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2 107806979 XBVQSTQCMWMTCC-UHFFFAOYSA-N 431.451 5.518 30 10 IKEE CCOc1cc(/C=N\n2c(C)nnc2S)ccc1OCc1ccc(Cl)cc1Cl 169909230 FWOKYKAKEGCTEB-YVNNLAQVSA-N 437.352 5.042 30 10 IKEE Cc1ccc(-c2csc(N/N=C\c3cc(Cl)c(OCC(C)C)c(Cl)c3)n2)cc1 169942085 SGCGRVCHYAEAQX-VROXFSQNSA-N 434.392 6.906 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2ccc(F)cc2)c1 170061292 NUKKPNHLHRDXDI-DEOSSOPVSA-N 429.491 5.842 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2c[nH]c3ccccc23)cc1 170075129 YUIIUCNMJKVUEX-VWLOTQADSA-N 436.511 5.876 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2c[nH]c3ccccc23)ccc1F 170075599 JFWUNVZOPYIUAY-DEOSSOPVSA-N 440.474 5.707 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2ccccc2C)cc1 170086309 LOWNUSUPWUPHQW-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2OC)c1 170125914 SIJITBNUYAFMGY-HSZRJFAPSA-N 435.520 5.005 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(O)cc2)cc1 170135651 KBNGVZVXKAMJPA-XMMPIXPASA-N 449.547 5.338 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C(C)(C)C)ccc3C)[C@H]2c2ccccn2)c1 170170649 XUZAWKSKWDDJBP-XMMPIXPASA-N 440.543 5.779 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@H]2c2ccccn2)c1 170170665 MEAHDXDCQLGUAT-XMMPIXPASA-N 442.515 5.269 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccncc2)cc1C 170200573 MBQJKQVYHUMOHT-DEOSSOPVSA-N 442.515 5.107 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1c[nH]c2ccccc12)c1ccc2ccccc2c1 170256555 JKUQJAGXMPGCOG-RUZDIDTESA-N 436.511 5.842 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cccc(O)c1)c1ccc2ccccc2c1 170261938 AIKSUDRAEHVQRN-DEOSSOPVSA-N 427.500 5.456 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2C)cc1 170275450 VDUVXTIUJSBHNF-XMMPIXPASA-N 433.548 5.695 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1ccco1 170288059 MKXPLNAOOROOFE-HSZRJFAPSA-N 447.487 5.167 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccc(OC(C)C)c2)cc1C 170348447 GMPWOARSDADFAN-RUZDIDTESA-N 441.527 5.874 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 170375130 VCHHSCMGVWZLQF-HXUWFJFHSA-N 442.273 5.915 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccncc2)=C(O)C(=O)N1c1ccc(C(F)(F)F)cc1 170399605 JHWQGNDVXSYNSD-HXUWFJFHSA-N 438.405 5.192 30 10 IKEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 170466844 NGMTVTVPVUVREO-QFIPXVFZSA-N 434.580 5.565 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)[C@H](C)Oc2ccccc2C(C)C)nc2ccccc12 170536921 OSYNLGSDWACXDS-SFHVURJKSA-N 439.519 5.130 30 10 IKEE COc1ccc(-c2nc3cc(N=Cc4ccc(OC)c(Br)c4)ccc3o2)cc1 252619959 LUXANNRSYYJYCU-UHFFFAOYSA-N 437.293 6.025 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)ccc(F)c1Br 407262017 IVKBJKSCYSVCDU-YOEHRIQHSA-N 433.337 5.237 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccc(C)c2)cc1OC 526604905 LWJNMYLTCFYRKY-RUZDIDTESA-N 440.499 5.331 30 10 IKEE Cc1ccc(SC2=C(Nc3ccccc3C#N)C(=O)N(c3cccc(Cl)c3)C2=O)cc1 526661503 MFBPRYJBAZLNHZ-UHFFFAOYSA-N 445.931 5.509 30 10 IKEE CC(C)Oc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1cc(F)ccc1F 526709250 FBAYWVWGKGTAQG-QHCPKHFHSA-N 449.453 5.535 30 10 IKEE CCCCCOc1ccc(/C=N\n2cnnc2SCc2ccc(C(C)(C)C)cc2)cc1 526806284 YUZXOCGOMAIUKM-PKAZHMFMSA-N 436.625 6.319 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1cccc(OC)c1OCC 526808853 BAYOHSBNHVKQLF-MYYYXRDXSA-N 438.597 5.429 30 10 IKEE Cc1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(OC(C)C)cc2)cc1C 586254188 NSDHBQOPQGMVIE-UHFFFAOYSA-N 434.561 5.358 30 10 IKEE C=CCCN(c1ccc(N2CCC(C)CC2)cc1)S(=O)(=O)c1ccc(OC(C)C)cc1 586256958 TYNBXQYZFIWTEE-UHFFFAOYSA-N 442.625 5.482 30 10 IKEE CCCCCCCCCCNCCCCCC[N+](C)(C)CCCCCCCCCC 604934916 UOWRWYQMKZCROS-UHFFFAOYSA-N 425.810 8.494 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1ccc(Cl)cc1Br 698421197 YBMMAYBSAWCFGQ-GOSISDBHSA-N 435.749 6.417 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@H](C)CN(C(=O)OC(C)(C)C)C2)c1 698471454 UDJHKZHPUCOKRS-UUOWRZLLSA-N 429.561 5.276 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCN(C(=O)OC(C)(C)C)[C@@H]2C)cc1 698886921 GCAUAWUWVSSUDA-KOSHJBKYSA-N 429.561 5.418 30 10 IKEE COc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(C)cc2)cc1Br 698898348 AXJABKFGPNRNDN-SFHVURJKSA-N 431.330 5.773 30 10 IKEE CCOc1cc(C=Nc2c(C)n(C)n(-c3ccccc3)c2=O)ccc1OCc1ccccc1 1083915673 MDAUVOHWZSTIOZ-UHFFFAOYSA-N 441.531 5.213 30 10 IKEE CCCCCCCCCCN(N=Nc1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 1084158552 LZHQECWXVIFHLO-UHFFFAOYSA-N 427.505 7.149 30 10 IKEE Cc1cc2c(cc1/C=C1/S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C1=O)OCO2 1084638172 NYAFLDVDPMCYRV-JAYUVETPSA-N 442.540 5.396 30 10 IKEE O=C1/C(=C\c2ccc(Cl)cc2)S/C(=N/N=C/c2ccccc2O)N1Cc1ccco1 1615301640 BGERQYADOWALHU-SGOVDTOHSA-N 437.908 5.145 30 10 IKEE COc1ccc(/C=C2\SC(=Nc3nccs3)N(C3CCCCC3)C2=O)c(OC)c1 1772737132 WMDGKJUHQFGOCB-AQEWOIMGSA-N 429.567 5.097 30 10 IKEE CCCC[C@H](CC)C[C@@]1(C[C@H](CC)CCCC)c2ccsc2-c2sc(C#N)cc21 1857523040 IUOOUXSCGMFBPV-WAQNLRHXSA-N 427.723 9.161 30 10 IKEE Fc1ccc(NC(=S)N/N=C\c2cn(-c3ccc(F)cc3)nc2-c2cccs2)cc1 1857809335 RNJVFEWFQNBHQH-MSXFZWOLSA-N 439.516 5.200 30 10 IKEE COc1cccc(-c2nc3cc(C(=O)Nc4sc5c(c4C#N)CCCC5)ccc3o2)c1 1859743094 XXUZVDRJBVHILM-UHFFFAOYSA-N 429.501 5.568 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C(C)C)c1 1862386222 INUZWUHZASGTDP-FQEVSTJZSA-N 448.346 5.769 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2cc(Cl)cc(Cl)c2)cc1C 1862408848 WFLJEXXRBJSMTQ-IBGZPJMESA-N 432.303 5.051 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CCCCC2)c1 1862419941 XZPASHYCOQYLRY-QFIPXVFZSA-N 441.474 5.275 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862448718 TWBSGELWBCEJKV-FQEVSTJZSA-N 442.899 5.407 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862535417 ZAMINQQTBIGLQZ-XMMPIXPASA-N 428.532 5.641 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862559876 ZDANOBWYGVZQIB-BXKMTCNYSA-N 442.515 5.007 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc2cc[nH]c2c1 1862616099 QPDKWSGQOQJLAG-MWTRTKDXSA-N 430.548 5.842 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C[C@H](C)O)cc1 1862616876 UHTWZLXCXJMGPG-SBUREZEXSA-N 435.564 5.067 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1c(Cl)cccc1Cl 1862667675 IBKDSINDFUPPPY-OAQYLSRUSA-N 446.374 6.495 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1 1862723450 ABYFSXYVBLOKDB-RUZDIDTESA-N 441.502 6.014 30 10 IKEE N#Cc1cccc(N2C(=O)C(Nc3cccc(Cl)c3)=C(c3ccc(Cl)cc3)C2=O)c1 1862799146 YNMBCPASDOTUMJ-UHFFFAOYSA-N 434.282 5.262 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2Sc2ccccc2)=C(c2ccc(OC)cc2)C1=O 1863329871 NPGABGZYYHXIEC-UHFFFAOYSA-N 442.540 5.224 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCOC)=C(c2cc(C)ccc2C)C1=O 1863740333 WNSKPDHVQRIAQB-UHFFFAOYSA-N 428.617 5.150 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)CCc2ccc(-c3cccnc3)cc2)c1 1866180042 KJCYOQAJBZZTOQ-UHFFFAOYSA-N 445.522 5.731 30 10 IKEE C=CCn1cc(OCC(=O)Nc2ccccc2C(C)C)c(=O)cc1CSc1ccccc1 1870204973 FTIPOAARPMZWEK-UHFFFAOYSA-N 448.588 5.468 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(Cl)cc2)c(=O)cc1CN1CCCC1 1870439047 KKMVMAWZLLIGCN-UHFFFAOYSA-N 431.020 6.037 30 10 IKEE CCCCCCCOc1cn(CC(C)C)c(CNc2cccc(C(C)(C)C)c2)cc1=O 1870832192 RQIDOADIHYPICP-UHFFFAOYSA-N 426.645 6.763 30 10 IKEE CCCCCCCOc1cn(C[C@@H]2CCCO2)c(CNc2ccc(C)cc2C)cc1=O 1870833165 AQWFTZPPNIUDHS-QHCPKHFHSA-N 426.601 5.605 30 10 IKEE CCCCCCCCn1cc(OCCOC(C)C)c(=O)cc1CNc1ccc(CC)cc1 1870986517 GWDMVNRZSKASII-UHFFFAOYSA-N 442.644 6.187 30 10 IKEE C#CCOc1cn(Cc2ccc(C)cc2)c(CNc2ccc(OCCCC)cc2)cc1=O 1871009191 JCYCFCQWCLNOCB-UHFFFAOYSA-N 430.548 5.008 30 10 IKEE CC[C@@H](C)N1COc2c(cc3c(c2C)O/C(=C\c2cc(Cl)cc4c2OCOC4)C3=O)C1 1871353451 RGTQRFAWFZDACT-SQKQDPHPSA-N 441.911 5.082 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(C)c([N+](=O)[O-])c4)ccc3C2=O)cc1 1871375180 XLHCJSVBJWLUIU-FMCGGJTJSA-N 445.427 5.137 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(CC)cc2)C3=O)cc1 1871388733 AVZUFCRMFZGNKI-IWIPYMOSSA-N 442.467 5.400 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)c1 1871388824 LSYOZAICKWITFQ-YSMPRRRNSA-N 440.495 6.210 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3cc(OCCCc4ccccc4)cc(C)c3C2=O)c1 1871399999 ZYMBVRLUUVSBTM-XYGWBWBKSA-N 430.500 5.640 30 10 IKEE CCOC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\c2ccccc2OCC)C3=O)o1 1871439203 NLCNIJQKQXAQQW-QRVIBDJDSA-N 434.444 5.050 30 10 IKEE CCCCCCCCN=c1nc(N(CCC)CCC)[nH]c(=Nc2cccc(Cl)c2)[nH]1 1871647922 PVZXKPFQJHAUST-UHFFFAOYSA-N 433.044 5.511 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1cccs1 1871841715 OPBXQPPVCDMQMX-OAQYLSRUSA-N 448.654 5.636 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)CCC 1871844506 CQYBCAQYOTZRAA-HSZRJFAPSA-N 444.597 5.204 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(=O)(=O)CC 1872216477 IEDSOTPYEZCQRH-XMMPIXPASA-N 442.625 5.387 30 10 IKEE CC(C)(C)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 1872759685 WIABPIZYIMMEPJ-DEOSSOPVSA-N 436.580 7.265 30 10 IKEE Cc1cc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc(C)c1Cl 1872760178 IOOVJLZMBKTHQK-OAQYLSRUSA-N 446.959 6.489 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)Cc2ccc(F)c(C)c2)n1 1872777064 FQBKZMFFRFPDEF-LJQANCHMSA-N 436.552 5.983 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3c[nH]c4ccccc34)n2)c(OCC)c1 1872783976 MRAFMWAZYBRQFP-FQEVSTJZSA-N 445.544 5.508 30 10 IKEE CCCCCCCCNC1=C(c2ccc(C)cc2)C(=O)N(CCCCCCCC)C1=O 1873143340 IVGOVGHKAXLLMZ-UHFFFAOYSA-N 426.645 6.386 30 10 IKEE C=CCN=c1nc2c(cnn2-c2ccccc2)c(Nc2ccccc2Oc2ccccc2)[nH]1 1873470018 SXTITBUETKEKBQ-UHFFFAOYSA-N 434.503 5.371 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccc(F)cc1 1874214412 LDFDMAZJYSYEPG-BUVRLJJBSA-N 432.952 5.467 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SC)n1/N=C/c1c(Cl)cccc1Cl 1874227967 LWVOXEUUBAMYBQ-FSJBWODESA-N 449.363 5.333 30 10 IKEE CCCSc1nnc(COc2ccccc2OC)n1/N=C/c1c(F)cccc1Cl 1874289932 FRYQUPWANFVBKI-FSJBWODESA-N 434.924 5.043 30 10 IKEE Cc1ccc(C)c(CSc2nnc(COc3c(C)cccc3C)n2/N=C/c2ccco2)c1 1874300812 UNWIXOMSUUGILJ-VULFUBBASA-N 446.576 5.858 30 10 IKEE Cc1ccc(CSc2nnc(COCc3ccccc3)n2/N=C/c2ccccc2F)cc1 1874352539 PAOCJROXVFVTAK-JFLMPSFJSA-N 446.551 5.617 30 10 IKEE COc1ccccc1/C=N/n1c(COCc2ccccc2)nnc1SCc1ccccc1 1874355702 XBOYYYIWXGXYSY-WGOQTCKBSA-N 444.560 5.178 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(CCc3cccs3)nnc2SC)cc1OC 1874369291 STVZNYANUPUIQK-XQNSMLJCSA-N 444.626 5.307 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2[C@H](C)c2ccccc2)cc1 1874391444 HHPRKJJKYHHQSJ-YFHGFKKUSA-N 440.616 6.475 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874394983 AGSUJHHDNRBPAP-OAKZWBAKSA-N 443.532 5.513 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccccc3)nnc2[C@H](C)c2ccccc2)cc1O 1874395316 JWXQXYOVVVBPRJ-CVLFLDGLSA-N 444.560 5.319 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3ccccc3)nnc2[C@H](C)c2ccccc2)cc1 1874395581 PWKVNOPMXHGTHQ-QZCBGFPPSA-N 426.589 6.167 30 10 IKEE Cc1ccsc1/C=N/n1c(SCc2c(F)cccc2Cl)nnc1-c1cccs1 1874425620 RNNDYTLOSTXKMF-LSHDLFTRSA-N 449.001 6.344 30 10 IKEE CCOc1cc(/C=N/n2c(SCc3cccc(F)c3)nnc2-c2ccccc2)ccc1O 1874426992 LKRVOEIVRMAHCK-CVKSISIWSA-N 448.523 5.363 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(-c3ccco3)n2/N=C/c2c[nH]c3ccccc23)cc1 1874466267 VNDGBOYQIFCYAG-ZMOGYAJESA-N 444.476 5.102 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccco3)n2/N=C/c2ccc([N+](=O)[O-])cc2)c1 1874467075 QHCDQHDZTBYFRA-YDZHTSKRSA-N 433.493 5.238 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CCC2)cc1 1874497298 DORLQARAORMLAZ-AFUMVMLFSA-N 425.001 6.497 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874507405 BCILFCIHTSNRAV-AFUMVMLFSA-N 442.560 5.340 30 10 IKEE COc1cc(/C=N/n2c(SCc3ccc(C)cc3)nnc2C2CC2)ccc1OC(C)C 1874516754 IWVRLRGNLKBYLC-AFUMVMLFSA-N 436.581 5.434 30 10 IKEE Cc1ccccc1COc1ccc(/C=N/n2c(C)nnc2SCc2cccc(F)c2)cc1 1874530945 JKVIQPCZAZDSCD-JFLMPSFJSA-N 446.551 5.788 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(C)nnc2SCc2cccc3ccccc23)cc1 1874532939 JRTSXKRDTGNEJF-YZSQISJMSA-N 429.593 5.760 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/n2c(S)nnc2CC(C)C)cc1OC 1874559387 OQAKPQFYSGOMPG-JJIBRWJFSA-N 432.634 5.786 30 10 IKEE CCN(CC)C(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1cc(C(C)(C)C)ccc1C 1874590284 CHTFEERIYKBDKE-JLHYYAGUSA-N 441.999 6.089 30 10 IKEE C=CCOc1c(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)cc(Cl)cc1OC 1874590765 SZMYLHVHQXZWKO-AATRIKPKSA-N 427.711 6.125 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccccc1OCC(=O)Nc1ccc(C)cc1C 1874592441 ZCWLRZUDTFRCQL-FMIVXFBMSA-N 449.934 5.879 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OCC(=O)Nc2ccc(F)cc2)c1 1874600146 WIGXARPTFISHIP-OQLLNIDSSA-N 445.534 6.345 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OCc1ccccc1Cl 1874603353 OTOMWYSPWAHHBK-RVDMUPIBSA-N 442.942 7.367 30 10 IKEE C=C(C)COc1ccc(/C=C/C(=O)c2ccc(OCCC)c(OCCC)c2)cc1Cl 1874612666 GVCVCGLZVJPREM-JXMROGBWSA-N 428.956 6.769 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(F)c3)c([N+](=O)[O-])c2)cc1 1874617131 LOTXSPOFMGIEBX-WUXMJOGZSA-N 435.451 5.998 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1OCCc1ccccc1 1874625375 AXNJGLYHOAKNER-MDWZMJQESA-N 435.451 5.650 30 10 IKEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1 1874637032 FDPBIINRPGGKIC-DHZHZOJOSA-N 436.335 5.145 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC(=O)C3CCC3)c(OC)cc2Br)cc1 1874697746 NQVWHCQLGTUSDK-DHZHZOJOSA-N 445.309 5.068 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1)c1cccc(Cl)c1 1874699177 ICZQPSSPHSACKC-JXMROGBWSA-N 431.702 6.762 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)c1cncc(C)c1 1875122281 VZVRZXFQSQSWBR-MDZDMXLPSA-N 447.918 5.896 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc([N+](=O)[O-])c1OC(=O)c1ccco1 1875126700 UTOJSVTWKKRORA-BJMVGYQFSA-N 441.823 5.355 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)Cc1ccc(F)cc1 1875128659 NTPIZTBHRYEJKP-NTCAYCPXSA-N 430.475 5.607 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1OC(=O)CC(C)(C)C 1875137007 QWCYRWCHGNSOAS-FMIVXFBMSA-N 425.481 5.540 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)cc1F 1875152193 IPEWBJZXSNEGOH-VZUCSPMQSA-N 435.407 5.166 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)c1ccc(C)cc1 1875156122 LJEQVTNTPZLGAS-OVCLIPMQSA-N 444.527 6.251 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 1875159405 PDEIKLSPRIMFNL-WTDSWWLTSA-N 445.273 6.256 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2sccc2C)cc1 1875180073 GKZFJRFQHAUPPH-RMKNXTFCSA-N 426.921 6.142 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc(OC)c1OC(=O)CCCC 1875185574 ZIXAGAOVPCIWGK-JQIJEIRASA-N 448.603 7.021 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3sccc3C)cc2)c2ccccc12 1875190397 LCXKCCWHAXQAJZ-UKTHLTGXSA-N 428.509 6.334 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N1C[C@@H](C)C[C@H](C)C1)n2C 1875197252 LNWOLGGIYOJMMW-PMACEKPBSA-N 427.637 5.639 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)CCc3cc(Cl)cc(Cl)c3)ccc21 1890676893 APJGUIDXEJEBFJ-UHFFFAOYSA-N 447.362 5.502 30 10 IKEE CC(C)C[C@H](CC(F)(F)F)NS(=O)(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F 1890872652 ZCKHNIYBTFLOIB-SNVBAGLBSA-N 445.347 5.370 30 10 IKEE C=CCN(CC[C@@H](NCCC)c1cc(F)ccc1Br)C(=O)OC(C)(C)C 1898259835 GSDBWYGURWPCHN-GOSISDBHSA-N 429.374 5.442 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C1(CNC(=O)OC(C)(C)C)CC(F)(F)C1 1922104446 RJOKPFSDAFCUJJ-FQEVSTJZSA-N 438.559 5.068 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@]1(C#N)CC(C)(C)[C@H]1OCc1ccccc1 1950395802 FADBUKFXXSQHCN-BWKNWUBXSA-N 440.971 6.359 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)[C@@H]1C(C)(C)C 2014558985 WKQMKTPHLSXDIL-XOBRGWDASA-N 449.514 5.104 30 10 IKEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(C)c1 2032559860 BBPSWPKVFIUSHN-KBMIEXCESA-N 443.588 5.666 30 10 IKEE C=CCN(CC(=C)B1OC(C)(C)C(C)(C)O1)C(=O)c1cscc1OCc1ccccc1 2038689181 VBPIWMNAMOWZGF-UHFFFAOYSA-N 439.386 5.143 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)C2(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2042141220 LGLXICQVIVTVQX-LDSCYUJKSA-N 445.535 5.106 30 10 IKEE Cc1cc(Br)cc(-c2c(C3CCCCC3)nn3c(Cl)c(C#N)cnc23)c1 2081556749 HHYZJBQRUUXZBO-UHFFFAOYSA-N 429.749 6.040 30 10 IKEE CCc1cc(Br)c([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2C)s1 2089744461 XQPFHUQSBQJKDN-KRWDZBQOSA-N 435.387 6.388 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@@]2(C#N)Nc2ccc(Br)cc2)C1 2156252167 UBSSXGYEZLTWBT-RTWAWAEBSA-N 434.378 5.325 30 10 IKEE COC[C@@]1([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)CC=CCC1 2166533332 PGZPSTQZOKYYQF-GHTZIAJQSA-N 435.362 5.456 30 10 IKEE COc1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)ccc1F 2166599301 HQYFTBIDZTUNLK-QGZVFWFLSA-N 435.293 5.603 30 10 IKEE C#CCC1(NC(=O)c2cc(Br)cc(NC(=O)OC(C)(C)C)c2)CCCCC1 2180043649 JJWFYIVDWXULRS-UHFFFAOYSA-N 435.362 5.252 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)Nc2cc(F)cc(C#N)c2)c1 2181047134 NEVFUVUATHHBLR-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(Nc2ccccc2Br)CC12CCCC2 2194582730 IOLDEGNKLFLUEK-FQEVSTJZSA-N 434.378 5.467 30 10 IKEE C#CC[C@@H](C[C@@H](NCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br)C1CC1 2196853718 JUSQWQMXHJHZGV-OXJNMPFZSA-N 435.406 5.886 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Br)c([C@@H](N)C#Cc2cccc(Cl)c2)c1 2231090565 WNRCIPUAVLSIKC-SFHVURJKSA-N 435.749 5.501 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(OC)c(Br)s1 2278274928 PSMFHBLKDRGDCM-XJKSGUPXSA-N 447.439 5.419 30 10 IKEE CCCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)c1ccccc1 2281808403 QAVLLDYUNCXKTL-UHFFFAOYSA-N 444.384 5.044 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCC[C@H]2Nc2c(Br)cccc2C#N)CC1 2285183729 DBKVCRCNQBMDLV-QGZVFWFLSA-N 434.378 5.302 30 10 IKEE CCCCCCCCOc1ccc(C=C2SC(=S)N(c3ccc(C)cc3)C2=O)cc1 2295998924 IKKFUOGNXFMIHN-UHFFFAOYSA-N 439.646 7.140 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C#Cc1cccc(Br)c1)NCCC 2296219057 KMDXVXRJHNJGLY-WOJBJXKFSA-N 435.406 5.028 30 10 IKEE CCN[C@@H](C#Cc1cccc(Br)c1)CC[C@H](C)CCNC(=O)OC(C)(C)C 2296277584 UMOUWKWGUQAUDU-FXAWDEMLSA-N 437.422 5.110 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2308983673 KDRFGMIUHBBLLS-VUNWAWHJSA-N 445.535 5.153 30 10 IKEE O=C1NC(=Nc2cccc(Cl)c2Cl)SC1=Cc1ccc(Br)s1 2313541794 ZPGPQDDZCPICRL-UHFFFAOYSA-N 434.167 5.709 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1OC 2314438179 KHSSQXSPDRSNLE-UHFFFAOYSA-N 436.847 5.193 30 10 IKEE COc1ccc(C=C2SC(=Nc3nc(C)cs3)N(C3CCCCC3)C2=O)c(OC)c1 2314544275 XNSFJNBFRQVFOE-UHFFFAOYSA-N 443.594 5.405 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CC2)c1 2320906848 ZKUNIYSJBLRVSW-UHFFFAOYSA-N 433.364 5.645 30 10 IKEE C=CCN(Cc1ccccc1)[C@]1(C(=O)O)CCC[C@H]1[C@H]1CCCCN1C(=O)OC(C)(C)C 2321992871 VFEGOJJWTLYJIZ-VVZHRXSXSA-N 442.600 5.088 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1cccc(F)c1)O3)CN(CCCCc1ccccc1)CO2 2322252128 QBQXJDHSMARIDH-UHFFFAOYSA-N 443.518 5.925 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2c(OCc3ccccc3F)ccc3ccccc23)c1 2322659787 KLYPDYYFMJMRHX-UHFFFAOYSA-N 442.486 6.471 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1c(Cl)cccc1Cl)c1ccc(F)cc1 2322748382 LCHFDBNGDFKQEC-UHFFFAOYSA-N 435.709 7.261 30 10 IKEE C=C(C)COc1c(OC)ccc(C=CC(=O)c2ccc(OCC)cc2)c1Br 2323134839 JPEFDMOBXLGVIX-UHFFFAOYSA-N 431.326 5.707 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1cccc(OCc2ccccc2C)c1 2323258968 KCLBBQPVMLKGBN-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE Cc1cccc(NC(=O)COc2cccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)c2)c1C 2323259655 NLTIUPISHOCBKQ-UHFFFAOYSA-N 441.571 6.451 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2F)c([N+](=O)[O-])c1)c1ccc2ccccc2c1 2323400345 BVZPXOZRVGODHC-UHFFFAOYSA-N 427.431 6.362 30 10 IKEE CCCCCCOc1ccc(C=Nn2c(Cc3ccccc3)nnc2SC)cc1OC 2323583550 FYHMILPAERPRPG-UHFFFAOYSA-N 438.597 5.441 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OCc1cccc(Cl)c1 2323733516 WBAVQUJCAYVVME-UHFFFAOYSA-N 428.862 6.492 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2OC)cc1 2323960048 CYJFWFMMSAAHPA-UHFFFAOYSA-N 443.543 5.788 30 10 IKEE CCCCN(CCCC)Cc1c(O)cc(C)c2c1OC(=Cc1ccc(OCC)cc1)C2=O 2324077834 IGTITUJTUAMDKX-UHFFFAOYSA-N 437.580 6.118 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(O[C@@H](C)C(=O)Nc3ccc(F)cc3)c2C)C1=O 2324319291 KPBXYPIFDFMPRD-HNNXBMFYSA-N 437.492 5.526 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccccc2)C3=O)cc1 2324451891 PKOGRAMKXKJDQO-KRWDZBQOSA-N 429.472 5.026 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3cc(OC)ccc3OC)n2)cc1 2324506128 VDRHGJAFWXGGAQ-FQEVSTJZSA-N 434.517 5.116 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OCCOc4cccc(C)c4)c3C)C2=O)c1OC 2324532245 HALQQLJTKJBMBU-UHFFFAOYSA-N 446.499 5.395 30 10 IKEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(Cl)cc3Cl)n2)cc1C 2324756562 LMQHPPBJGXBKRL-SFHVURJKSA-N 427.356 6.623 30 10 IKEE Cc1c(OCC(=O)N[C@H](C)c2ccccc2)ccc2c1OC(=Cc1cccc(F)c1)C2=O 2325019632 LHUSDDFVBLSAAP-QGZVFWFLSA-N 431.463 5.007 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1cc(C)c2c(c1)OC(=CC=Cc1ccccc1)C2=O 2325098516 KNYWYHKYWSLADQ-HSZRJFAPSA-N 448.559 6.448 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc(OCCC(=O)Nc3ccc(C)cc3)c2C)C1=O 2325226081 AAFHGSXQMWJSJK-UHFFFAOYSA-N 443.499 5.336 30 10 IKEE COc1ccc(C)cc1NC(=O)CCOc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O 2325471027 ROZQZCOZSNKSSK-UHFFFAOYSA-N 447.462 5.167 30 10 IKEE Cc1cc(OCCC(=O)Nc2ccccc2)cc2c1C(=O)C(=CC=Cc1ccccc1)O2 2325489086 GEXJERYEOCGPBP-UHFFFAOYSA-N 425.484 5.575 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(Br)cc1 2325513067 YDRXBGVQUULTJU-UHFFFAOYSA-N 447.377 5.697 30 10 IKEE CCCOc1ccc(C=CC(=O)C(=O)Nc2ccccc2Oc2ccccc2)cc1OCC 2325648462 HCDFWNJTEBOQSN-UHFFFAOYSA-N 445.515 5.887 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1cccc(C=CC(=O)c2ccc3c(c2)CCCC3)c1 2325701769 FWFKUFGYYPFCDR-UHFFFAOYSA-N 446.930 6.343 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C=CC(=O)c3ccc(OC)c(C)c3)ccc2OC)cc1 2325713065 AACCBHGQEOJQGB-UHFFFAOYSA-N 446.499 5.526 30 10 IKEE COc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1 2325731238 PEJNNSZKIJLAHQ-UHFFFAOYSA-N 443.499 5.452 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(Cl)c(Cl)c3)c2)cc1 2325734601 BTQALUANFRSISN-UHFFFAOYSA-N 441.310 6.507 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1OC(=O)c1cnccn1 2325765383 GQTFFBGCZOYZJN-UHFFFAOYSA-N 430.504 5.206 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCC(=C)C)n1N=Cc1ccccc1C 2326460952 ABSZEYKKEZYWCL-UHFFFAOYSA-N 434.565 5.281 30 10 IKEE CCOc1ccc(C=Nn2c(C)nnc2SCc2c(F)cccc2Cl)c(OCC)c1 2326567814 DDSJYXUKPQKXJU-UHFFFAOYSA-N 448.951 5.351 30 10 IKEE CCCc1nnc(SCc2cccc(C(=O)OC)c2)n1N=Cc1ccc(C(C)C)cc1 2326763737 RBEAOWQSWHVFEE-UHFFFAOYSA-N 436.581 5.315 30 10 IKEE Clc1ccccc1OCc1nnc(SCCc2ccccc2)n1N=Cc1ccccc1 2327658676 NAEADGYHIWSNBK-UHFFFAOYSA-N 448.979 5.728 30 10 IKEE COc1ccc(C=NNc2ccnc(Cl)n2)cc1OCc1ccc(Cl)cc1Cl 2328802778 GRECKJKLHRFPIT-UHFFFAOYSA-N 437.714 5.470 30 10 IKEE Cc1ccccc1C=Nn1c(CCc2cccs2)nnc1SCc1ccccc1C 2329634264 HZOWZPJQZMKCHQ-UHFFFAOYSA-N 432.618 5.916 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(CCc2cccs2)n1N=Cc1ccco1 2329699334 DZZOMJINBZMJCW-UHFFFAOYSA-N 446.960 5.685 30 10 IKEE C=C(C)CSc1nnc(Cc2ccccc2F)n1N=Cc1ccc(N(CC)CC)cc1 2329740553 KEYCYHIEOTUAQO-UHFFFAOYSA-N 437.588 5.405 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(C)c3)n2N=Cc2ccc(F)cc2F)cc1 2329947274 JWZLKLSJHTXVPW-UHFFFAOYSA-N 448.542 5.938 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c(Cl)c2)cc1 2330743856 GVMQNADIMDZNCF-UHFFFAOYSA-N 449.890 6.234 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2Cl)c1 2331029266 UJPMULRKBOGOHO-UHFFFAOYSA-N 435.863 5.980 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC(=O)C1CCCC1 2331046581 WPYZTEQZBMSJFV-UHFFFAOYSA-N 435.476 5.324 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)c1cc(C)cc(C)c1 2331077855 APRGISYVIQPEJG-UHFFFAOYSA-N 430.500 5.826 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2C(F)(F)F)cc1 2331115767 BZAYOZXZASOKCT-UHFFFAOYSA-N 438.450 5.399 30 10 IKEE Clc1cccc(C=Nn2c(SCc3ccccc3Cl)nnc2-c2ccco2)c1 2331211249 VOTJTRVYJMYGGH-UHFFFAOYSA-N 429.332 6.019 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)c(F)c3F)c(Cl)c2)c(C)c1 2331222493 KAAYRIMVALJKFR-UHFFFAOYSA-N 444.836 6.489 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)COc3ccc(C)c(C)c3)cc2)c1 2331378709 TYPVDLWFIUQJIP-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE CCCSc1nnc(C(C)(C)C)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2331402161 VMJYRXOBCFWADO-UHFFFAOYSA-N 443.016 6.192 30 10 IKEE CCCc1nnc(SCCc2ccccc2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2331652817 JIXPNHDMSBCWCT-UHFFFAOYSA-N 429.933 5.009 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2Cl)cc1 2331706439 QNTZGNCNVMCOOJ-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)c1ccccc1 2331708021 NHQYAKILFJJRFY-UHFFFAOYSA-N 434.919 6.471 30 10 IKEE CC1(C)[C@@H](OCc2ccccc2)C[C@H]1Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339537472 QGYFLSOGLSYHON-YADHBBJMSA-N 434.389 5.522 30 10 IKEE C[C@@H](CCNC(=O)OC(C)(C)C)CCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339604583 RKIBRNHEEHZCJZ-BJRSVTDJSA-N 446.397 5.046 30 10 IKEE CCCCCCCCCC(=O)[C@@H](O)c1sc(Cl)cc1I 2366786397 JHZLKAQTDMCFTB-CQSZACIVSA-N 428.763 5.749 30 10 IKEE C=C(C)COc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)c1ccccc1n3CC)N2 13642938 DDLSFWQYCHTJTL-UKOGBCMFSA-N 434.583 7.596 30 10 IKEE Cc1ccc(/N=C2\S[C@@H](CC(=O)c3ccc(F)cc3)C(=O)N2c2ccc(C)cc2)cc1 15055107 KUYRWPKAEHDXKF-NHKLCZRASA-N 432.520 5.852 30 10 IKEE Cc1ccc(/N=C2\S[C@H](CC(=O)c3ccc(Cl)cc3)C(=O)N2c2ccc(C)cc2)cc1 15055115 SUVBXPKXSKAOOD-YXTXPOHNSA-N 448.975 6.366 30 10 IKEE O=C(/C=C/c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 15978825 IEDQACBSFGZNNS-QHHAFSJGSA-N 432.288 5.739 30 10 IKEE O=S(=O)(/N=C(\Nc1ccccc1)c1ccccc1Br)c1ccc(Cl)cc1 18029416 RCBDZQAGOUYLGE-UHFFFAOYSA-N 449.757 5.350 30 10 IKEE COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(F)c2)c1 20882357 DIOOIORMVVJZGJ-SOKVYYICSA-N 444.506 5.822 30 10 IKEE Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)cc1[N+](=O)[O-] 20886033 DQNICUMVRAYJCK-HFJWLAOPSA-N 443.478 6.022 30 10 IKEE CCOc1c(OC)cccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1cccs1)C2 21221607 WWPNMKVNGFTJEV-LMKMVOKYSA-N 446.572 6.135 30 10 IKEE COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc3ccccc3c2)c1 21255472 SCIHKMGQMHBFCL-WVXBCFDCSA-N 446.550 6.828 30 10 IKEE Cc1ccc(/N=C2\S/C(=C\c3cn(C)c4ccccc34)C(=O)N2c2ccc(C)cc2)cc1 27230758 NIWZUFQUYCBEGF-SIFZUIMESA-N 437.568 6.604 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCc4c(F)c(F)c(F)c(F)c4F)ccc3C2=O)c1 33513992 OLIYVDGFVHMQAM-IUXPMGMMSA-N 432.344 5.886 30 10 IKEE Cc1ccc(/C=C\C(=O)c2ccc(OC(=O)N(c3ccccc3)c3ccccc3)cc2)cc1 34954556 DSIBXNBCEFOPRQ-PGMHBOJBSA-N 433.507 7.228 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1ccccc1C 34955597 SNUMPGBTAUDNNC-LDADJPATSA-N 448.518 6.786 30 10 IKEE Cc1c(OCc2ccc(F)cc2)ccc2c1O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 41435542 ZFRDNWOGZXFOTG-PKAZHMFMSA-N 436.482 6.996 30 10 IKEE Cc1ccc(OCCSc2nc3ccc(/N=C/c4cccc([N+](=O)[O-])c4)cc3s2)cc1 59854919 WWSYFLLFAVQVIM-BUVRLJJBSA-N 449.557 6.435 30 10 IKEE CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CSCc1ccc(C#N)cc1 96549583 BDWIDBFDZUSDOE-UHFFFAOYSA-N 436.558 5.335 30 10 IKEE O=C(/C=C\c1ccc(-c2ccc(Br)cc2)o1)c1cccc(N2CCOCC2)c1 96794653 MLFHYBQTDSFKGX-NTMALXAHSA-N 438.321 5.442 30 10 IKEE CC(=O)N(c1nc(/C=C\C(=O)c2ccc(Cl)cc2Cl)cs1)c1cccc(C)c1C 98000607 YZVMJSYPKWAGOX-NTMALXAHSA-N 445.371 6.647 30 10 IKEE CCCCC/C=C\C/C=C/CCCCCCCC(=O)OCCCCCCCCCCCC 101259400 YEVRRNZSZWIYCX-YHQKBTMFSA-N 448.776 10.264 30 10 IKEE CCCCCCCCCCCn1c([C@H](C)NC(=O)C2CCCCC2)nc2ccccc21 102117344 UGCQPJNGPSBMEN-QFIPXVFZSA-N 425.661 7.325 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2cccc(C)c2)cc1 169968795 JCJLRYISLGPTKE-XMMPIXPASA-N 427.500 5.403 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@@H]2c2ccccn2)cc1 169996088 VQLRTXJZCOOMBX-XMMPIXPASA-N 436.467 5.026 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2cccnc2)cc1 170013124 GZZSVEBBFLBHJN-OAQYLSRUSA-N 441.512 5.037 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1ccc(F)c(F)c1 170088203 FBTCDQDPZWUWHT-OAQYLSRUSA-N 439.845 5.710 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)CCc2ccccc2)=C(O)C(=O)N1c1ccc(Cl)cc1 170106765 KWYGHKVIUIGWIA-OAQYLSRUSA-N 437.948 5.812 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccs2)c1 170158567 PRHQHZQDLSHDCC-QMHKHESXSA-N 445.540 5.471 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@@H]1c1ccncc1 170211270 SWIFYKJZEXUKNI-FQEVSTJZSA-N 447.560 5.282 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1)c1ccc2c(c1)CCCC2 170223392 RZCGIKUOVDCZQJ-XMMPIXPASA-N 427.475 5.487 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(Cl)cc1)c1ccc2ccccc2c1 170237120 JRAPULKERYZEMA-HSZRJFAPSA-N 431.919 6.014 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccc2F)cc1 170248548 STIHOHWUOISGRJ-QHCPKHFHSA-N 431.463 5.316 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@H]1c1ccco1)c1cccc2ccccc12 170287278 RPUNXFBJEPIKIV-SANMLTNESA-N 445.474 6.369 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccco2)cc1Cl 170288294 UZCJMUFWGNBDRA-LJQANCHMSA-N 428.271 5.678 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@@H]1c1ccc(C)o1 170310120 CKPBMGDFOYUCDU-IBGZPJMESA-N 431.916 5.327 30 10 IKEE CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 170467374 QHUHDNMZKRFBFR-HSZRJFAPSA-N 433.592 6.407 30 10 IKEE CCCCCCCC[C@@H](C)OC(=O)c1ccccc1C(=O)O[C@H](C)CCCCCCCC 196395887 CZTAPVBKUXXDLY-DNQXCXABSA-N 446.672 8.278 30 10 IKEE CCOc1cccc(/C=C2/Oc3cc(OC)ccc3C2=O)c1OC(=O)c1ccc(F)cc1 210090946 JFUXKGYUYVKAFK-LPYMAVHISA-N 434.419 5.068 30 10 IKEE N#C[C@@H](C(=O)/C=C\c1ccc(Br)s1)C(=O)Nc1cccc2ccccc12 221692441 UIWARGPXXAQQLB-YHWKNFMLSA-N 425.307 5.025 30 10 IKEE COC(=O)c1ccc(/C=C2/SC(=Nc3c(C)cccc3C)N(c3ccccc3)C2=O)cc1 252596796 CMLPCGAZLNCEMU-MVPHNGGASA-N 442.540 5.899 30 10 IKEE CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=NO)C(=NO)C[C@]4(C)[C@@H]3CC[C@]12C 254466859 HVEXIRSOIACQFA-WRUPXOJVSA-N 430.677 7.378 30 10 IKEE O=[N+]([O-])c1ccc(NN=Cc2c[nH]c3ccc(OCc4ccccc4)cc23)c([N+](=O)[O-])c1 254487775 KZGNBXVUOMMFGE-UHFFFAOYSA-N 431.408 5.009 30 10 IKEE C/C=C\C=C\C(=O)Nc1cccc(C(=O)/C=C\c2cccc(NC(=O)/C=C/C=C/C)c2)c1 254868075 QPTGFYCJPWPMKS-XNOINNRTSA-N 426.516 5.724 30 10 IKEE CCCCCOc1ccc(C(=O)Oc2ccc(C=Nc3ccc([N+](=O)[O-])cc3)cc2)cc1 263622288 LYMMHZGEUHKOOG-UHFFFAOYSA-N 432.476 6.134 30 10 IKEE CC(C)c1ccc(NC2=C(SCc3ccco3)C(=O)N(c3ccccc3C#N)C2=O)cc1 526647899 ZMTNEOPMTAPOOE-UHFFFAOYSA-N 443.528 5.405 30 10 IKEE COc1ccc(/C=N\n2cnnc2SCc2c(F)cccc2Cl)cc1OC(C)C 526817091 OYAARDFHOHDFAT-VROXFSQNSA-N 434.924 5.041 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccc(OC(C)=O)cc1 526817945 IXGMAYAFZVARQS-MSXFZWOLSA-N 446.935 5.123 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)C1(C#N)CCC(C2CCC2)CC1 698487799 HODSVLLJFSAOOQ-UHFFFAOYSA-N 433.390 6.443 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 724090238 QRRQYOSYAWMJBY-OSPHWJPCSA-N 447.551 5.544 30 10 IKEE COc1cc2c3c(c1)C(=Nc1ccc(Cl)cc1)C(=O)N3C(C)(C)C=C2CN1CCCCC1 1081156893 RKKUTNNSYRRACQ-UHFFFAOYSA-N 449.982 5.478 30 10 IKEE Cc1ccc(-n2c(-c3ccccc3)cc(C=Nc3cccc(C)c3)c2-c2ccccc2)cc1 1084072849 BXKOIMIKWBRTFX-UHFFFAOYSA-N 426.563 8.179 30 10 IKEE CC1=C(c2ccccc2)[C@@H]2[C@@]3(C)C(=O)[C@@](C)(C(c4ccccc4)=C3c3ccccc3)[C@]2(C)C1=O 1616048130 PPAHKOHUGHVCKH-NTUWNYAGSA-N 444.574 6.885 30 10 IKEE C=CCC[C@H](NC(=O)CCc1nc(O)c2c3c(sc2n1)C[C@@H](C)CC3)c1ccccc1 1636820106 BENXECJWRNLHMH-LPHOPBHVSA-N 435.593 5.278 30 10 IKEE CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(C)cc2)SC1=Nc1cccc(C)n1 1772730997 ICIYVYJDHAEHDQ-BMBZWDQTSA-N 443.572 5.901 30 10 IKEE CCOC(=O)c1sc(NC(=O)c2c(C)c(CC)nc3ccc(Cl)cc23)c(C#N)c1C 1859643783 XPFRSHBQBATXDK-UHFFFAOYSA-N 441.940 5.430 30 10 IKEE C=CCOC(=O)c1sc(NC(=O)c2ccc3nc(-c4ccc(C)cc4)oc3c2)nc1C 1859736957 FDXQLDZJEMZNSB-UHFFFAOYSA-N 433.489 5.163 30 10 IKEE Cc1c(Cl)cccc1NC(=O)[C@@H](C)Oc1ccc(NC(=O)c2cccc(C#N)c2)cc1 1860159627 JIMFUFJARBTXIS-MRXNPFEDSA-N 433.895 5.178 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)CCCOc1ccc(C)cc1 1861682683 YHQMOIXZVFCKMW-DEOSSOPVSA-N 432.649 5.696 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2cccc3ccccc23)cc1 1862397148 NQLVLZWUWHCKTR-VWLOTQADSA-N 425.528 5.923 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1cc(Cl)cc(Cl)c1 1862408419 LMTQKONXZRXAHZ-LJQANCHMSA-N 432.303 5.075 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(Cl)c(Cl)c1 1862416013 JBJSNPJIYPYFDJ-YPMLDQLKSA-N 440.273 5.648 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1cccc(OCc2ccccc2)c1 1862423865 MKFXIZJWVCSAGL-QHCPKHFHSA-N 449.453 5.142 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cccc([N+](=O)[O-])c1 1862492056 HWKBGDBRQWVFPY-JOCHJYFZSA-N 436.508 5.370 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc(OCC)cc2)cc1 1862519229 FMUWNAPLLARJTK-QHCPKHFHSA-N 437.536 5.108 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccccc1Cl 1862526748 IXPQHDVAHLZPLN-KPZWWZAWSA-N 448.744 5.479 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2ccc(O)cc2)cc1 1862531910 DWMNAYPVKMTIGG-QHCPKHFHSA-N 447.918 5.387 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CC(C)C)c1 1862551615 WICTUZXKJORUDD-VWLOTQADSA-N 447.575 5.589 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 1862669421 VVWNXQCPYSQETG-HXUWFJFHSA-N 431.454 5.817 30 10 IKEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1Cl 1862712719 XXNNOTAVBAKVJJ-QHCPKHFHSA-N 448.950 5.023 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(-c3ccccc3)cc2)=C(O)C(=O)N1CCC(C)C 1862722106 NNDTZYFGBWAVIQ-AREMUKBSSA-N 439.555 6.286 30 10 IKEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2ccccc2)cc1 1862731000 KBIDKHXWPWWBRO-NBGIEHNGSA-N 449.591 6.413 30 10 IKEE CCCCCCCCN1C(=O)C(NCCc2ccccc2)=C(c2c[nH]c3ccccc23)C1=O 1863817152 BLFUTIWVQRISJL-UHFFFAOYSA-N 443.591 5.441 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N1CCN(c2cccc(C)c2)CC1 1866342626 RVQNZIPYEXJXPP-UHFFFAOYSA-N 442.732 7.905 30 10 IKEE CC(C)[C@H]1c2ccccc2CCN1c1cc(Nc2cccc(C#N)c2)nc(-c2ccccc2)n1 1868354797 NKVRJXFVRUTMGO-NDEPHWFRSA-N 445.570 6.519 30 10 IKEE CN1CCN(c2cc(Nc3ccc(C#N)cc3)nc(C(C)(C)C)n2)C[C@H]1c1ccc(F)cc1 1868355696 NVFGQESJAZKTNQ-QFIPXVFZSA-N 444.558 5.022 30 10 IKEE N#Cc1nnn(-c2ccc(Nc3ccccc3)cc2)c1NC(=O)/C=C/c1ccccc1Cl 1870141100 ZPIFDSHMMHKHRZ-XNTDXEJSSA-N 440.894 5.188 30 10 IKEE CCOc1cn(Cc2ccc(C)cc2)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870238826 SPUKJFDXXXIJAP-UHFFFAOYSA-N 433.577 5.088 30 10 IKEE CCCCCCCCn1cc(OCCOC(C)C)c(=O)cc1CN(CCC)CCCC 1870540676 JAHPSLDHOXJNAA-UHFFFAOYSA-N 436.681 6.025 30 10 IKEE CCCCCCCOc1cn(Cc2ccncc2)c(CNc2cccc(C)c2C)cc1=O 1870836225 QCWBKSNKVQJKFL-UHFFFAOYSA-N 433.596 5.870 30 10 IKEE C=CCn1cc(OCc2ccc(C(C)C)cc2)c(=O)cc1CNc1cccc([N+](=O)[O-])c1C 1870897842 QOHHNKJQMCUJAH-UHFFFAOYSA-N 447.535 5.565 30 10 IKEE C#CCOc1cn(Cc2ccccc2)c(CNc2cc(C(C)C)cc(C(C)C)c2)cc1=O 1871006566 LZJHRCQADVQFAS-UHFFFAOYSA-N 428.576 5.768 30 10 IKEE CC(C)(C)c1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4cccs4)ccc3C2=O)cc1 1871379884 LAXZYWSDMRCFLJ-QCWRLZRTSA-N 430.525 6.281 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(CN4CCc5ccccc5C4)c(O)cc(C)c3C2=O)cc1 1871394718 MYLLMRLRWXSKEW-MYYYXRDXSA-N 441.527 5.274 30 10 IKEE Cc1ccccc1OCCCCOc1ccc2c(c1C)O/C(=C\c1cccc(Cl)c1)C2=O 1871404287 GGULNCZMIKYMIN-UQQQWYQISA-N 448.946 6.811 30 10 IKEE COc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O 1871412340 RLARVYSZNOZTRH-VRHSPDTKSA-N 449.890 5.371 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(O[C@@H](C)C(=O)Nc3cccc(C)c3C)cc(C)c2C1=O 1871414109 SFQGAZINLNEDKM-FQOPDIHJSA-N 441.527 5.942 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccc(Cl)cc4)ccc3C2=O)cc1 1871415156 UWCAAMKWPXNLDH-SGMWPGOQSA-N 447.918 5.925 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1cccc(F)c1)C2=O 1871431010 PFCLLPCLUWBDHF-NLKUQUHMSA-N 445.490 5.773 30 10 IKEE CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871447985 FKIYUPAEMIPUOY-DBXOKZBGSA-N 441.483 5.220 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)COc1ccc2c(c1)O/C(=C\c1sccc1C)C2=O 1871457681 SYBXKCGSRGMVFT-JAIQZWGSSA-N 439.920 5.652 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O 1871459092 PLMNKWHORMBWHE-QRVIBDJDSA-N 433.891 5.536 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(C)cc1)C2=O 1871459677 XFZNKJLLCLYDJY-IWIPYMOSSA-N 427.500 5.500 30 10 IKEE N#C[C@@H](C(=O)/C=C/c1ccccc1Cl)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872759597 TXLGAUPXMTVPJJ-FRFYRWIFSA-N 440.955 7.020 30 10 IKEE N#C[C@@H](C(=O)C(c1ccccc1)c1ccccc1)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872760126 HVOHKHXLVFDPSA-VWLOTQADSA-N 448.591 6.697 30 10 IKEE C[C@H](c1ccccc1)N1C[C@@H](C(=O)[C@H](C#N)c2nc(-c3cccc(Cl)c3)cs2)CC1=O 1872766890 QCJLCYJRVGFJDL-BPAFIMBUSA-N 449.963 5.249 30 10 IKEE COc1ccc(OC)c(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccc(Cl)cc3)n2)c1 1872771098 MFRMKLMAMQQDDY-UGSOOPFHSA-N 442.924 5.124 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(C(C)(C)C)cc3)n2)c(OC)c1 1872783795 IBJMXQFFKFXQSD-LNYGYFNRSA-N 446.572 6.014 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H](CC)CCCCC)=C(c2cccc(OC)c2)C1=O 1873046005 MANUBILTHDGYNJ-QFIPXVFZSA-N 442.644 6.084 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC2CCCCC2)=C(c2ccc(F)c(C)c2)C1=O 1873151506 QYSUZASRVHJEJS-UHFFFAOYSA-N 442.619 6.277 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(F)c(F)c2)cc2c(NCc3cccc(C)c3)ncnc21 1873617994 TXAZAUFDRVOTRI-UHFFFAOYSA-N 433.462 5.068 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(Cl)c2C)cc2c(NCCC3=CCCCC3)ncnc21 1873639450 TXHJXMMPBORWBJ-UHFFFAOYSA-N 449.986 6.134 30 10 IKEE C=CCSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1ccccc1C 1874206432 BGTGGQMZXCXADX-FSJBWODESA-N 433.364 5.633 30 10 IKEE Fc1cccc(CSc2nnc(COc3ccc(Cl)cc3)n2/N=C/c2ccc[nH]2)c1 1874263600 HNEHPIWWUXWPOX-BRJLIKDPSA-N 441.919 5.152 30 10 IKEE C(=N/n1c(Cc2cccc3ccccc23)nnc1SCc1ccccc1)\c1ccncc1 1874269577 DCOYYRZFEHLGSX-MTDXEUNCSA-N 435.556 5.592 30 10 IKEE CCCOc1ccccc1/C=N/n1c(CCc2ccc(Cl)cc2)nnc1SCC 1874283089 OMNSLFBPBQAPRK-LFVJCYFKSA-N 428.989 5.500 30 10 IKEE Cc1cccc(/C=N/n2c(Cc3ccc(C)c(C)c3)nnc2SCc2cccc(F)c2)c1 1874356930 HBUJCNMXEBJVCP-LQKURTRISA-N 444.579 6.108 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3C)n2/N=C/c2cccnc2)cc1 1874360118 PHEKSTDONIQZPY-WPWMEQJKSA-N 427.577 5.250 30 10 IKEE Clc1ccccc1CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccncc1 1874365843 XSQICEPGKQRRTI-DHRITJCHSA-N 440.359 5.821 30 10 IKEE CCc1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCc2cccc(C)c2)cc1 1874378676 SLSDBANLIYJDKH-OGLMXYFKSA-N 444.579 6.053 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2-c2cccs2)cc1 1874424114 VMHCMKLOHMXRCP-CVKSISIWSA-N 444.560 6.473 30 10 IKEE CCc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1 1874438927 AVFZNGOCRRCENU-BUVRLJJBSA-N 437.569 5.512 30 10 IKEE CCCSc1nnc(CC(C)(C)C)n1/N=C/c1ccc(N(CC)Cc2ccccc2)cc1 1874440125 KDMNHDBTWKJXJT-ZXVVBBHZSA-N 449.668 6.278 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCCC)cc1OCC 1874440404 ZHUFLJSATNZATI-JJIBRWJFSA-N 432.634 5.829 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(SCc2ccccc2F)nnc1C1CCCC1 1874455840 NGNWNMJNUDPLDS-CVKSISIWSA-N 438.572 6.037 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1c(Cl)cccc1Cl 1874476414 NZXVYJSBAOTXDH-DHRITJCHSA-N 447.435 6.719 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccccc1OC 1874480084 HHMJVZPMFDAIRG-ZMOGYAJESA-N 449.407 6.111 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2C2CCC2)cc1 1874493405 KTAWUAUFRFZCJA-YZSQISJMSA-N 433.625 5.875 30 10 IKEE C=CCSc1nnc(C2CCC2)n1/N=C/c1ccc(OCCCCC)c(OCC)c1 1874496418 LEEBIAJLBHSUPG-JJIBRWJFSA-N 428.602 5.674 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2ccc(Cl)c(Cl)c2)nnc1C(C)C 1874515821 RAYQLDWFBIWNEO-FOKLQQMPSA-N 435.380 5.891 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2cccc(Cl)c2)nnc1C1CC1 1874520086 AJSBQOREBBUGKQ-ZVHZXABRSA-N 426.973 5.772 30 10 IKEE CCCOc1cccc(/C=N/n2c(CC)nnc2SCc2ccc(Cl)c(Cl)c2)c1 1874527884 JADGQYTUVTZLKD-ZMOGYAJESA-N 449.407 6.111 30 10 IKEE C=CCOc1c(OC)ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)c1Br 1874600188 YOJQACVRSDLIOT-FMIVXFBMSA-N 443.381 6.525 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCc3c(F)cccc3Cl)c2)c2ccccc12 1874600796 DLJSLANENIPELB-WYMLVPIESA-N 446.905 7.116 30 10 IKEE CCCOc1c(Br)cc(/C=C/C(=O)c2ccc(F)cc2F)cc1OCC 1874612776 LLTIIJAHFAOQES-VMPITWQZSA-N 425.269 5.811 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)c1OCCc1ccccc1 1874613430 TUEGSRWQPVBPLT-KPKJPENVSA-N 427.327 6.520 30 10 IKEE CCOc1ccc(/C=C/C(=O)c2cc(OC)c(Cl)cc2OC)cc1Br 1874630030 GXJCJTLYAKLLBQ-FNORWQNLSA-N 425.706 5.415 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)c(OCC)c1 1874632028 HLIUCRWLKQUAPR-GXDHUFHOSA-N 447.487 5.867 30 10 IKEE CCCOc1ccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc1Br 1874638854 WAOHYHGIDNORFM-DHZHZOJOSA-N 425.322 6.296 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OCc2cccc(C)c2)c([N+](=O)[O-])c1 1874638970 AZGRKJHAXGQHRX-RMKNXTFCSA-N 437.879 6.040 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2ccc(Cl)cc2)cc1OC(=O)C1CC1 1874700943 UICMRXCTDJHONE-RMKNXTFCSA-N 435.701 5.323 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@@H](Cc3ccccc3)c3ccccc3)c2)cc1 1874702363 YUDYUUPMIJNFPO-XZIKCTTASA-N 446.546 6.823 30 10 IKEE Cc1nc2ccc(C(=O)Oc3cccc(/C=C/C(=O)c4ccc(F)cc4)c3)cc2nc1C 1874708821 WKLQLUKCINOHIB-AWNIVKPZSA-N 426.447 5.501 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OC 1875122306 XHLFHJFSRINKMH-ZRDIBKRKSA-N 436.891 5.401 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)c1ccc(C)cc1 1875135728 FNCZUSCHRIEYSF-NTEUORMPSA-N 434.919 6.471 30 10 IKEE CC(C)C[C@H](CC(F)(F)F)NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1890908172 LJYAXLLDAURKDJ-LLVKDONJSA-N 445.347 5.370 30 10 IKEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1cccc(-c2cccc(F)c2)c1 1891654098 GKMJKTJGHVIOLK-UHFFFAOYSA-N 427.397 5.324 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccc(Cl)cc1I 1904060309 RNCOCKGLQANKQJ-NHYWBVRUSA-N 448.732 5.545 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)cc1 2031669331 IVZDOCORARHPMP-OAQYLSRUSA-N 443.588 6.558 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)CC12CC2 2037543789 YZVMQDCLMJLHSP-XMMPIXPASA-N 445.535 5.393 30 10 IKEE Cc1ccc([C@@H](n2nc(C(C)(C)C)c(C#N)c2I)C(C)(C)C)cc1 2079034812 STDIGSDGIPJXAU-QGZVFWFLSA-N 435.353 5.601 30 10 IKEE COc1c2c(nc3c(-c4cc(F)ccc4C(F)(F)F)c(C(F)(F)F)nn13)CCCC2 2081537025 XNJPDNZBVCLTAX-UHFFFAOYSA-N 433.327 5.460 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)c1cscc1OCc1ccccc1 2100093478 SFJFOPUDSABTFA-UHFFFAOYSA-N 449.381 5.187 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(C#N)c(Br)c2F)CC1(C)C 2106005229 XGBVXUGONKNPGI-CYBMUJFWSA-N 426.330 5.050 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCC)c2cc(F)c(Br)c(F)c2)C1 2207158975 AEASLHXLLWPQNS-KRWDZBQOSA-N 445.348 5.239 30 10 IKEE CCN[C@@H](C#Cc1ccc(OC)cc1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2221918146 ZCLFCRPTQUSHFS-XMMPIXPASA-N 436.596 5.242 30 10 IKEE C=CC[C@H](C)[C@H](NCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229132370 QUEIUIDHECNXNR-IPELMVKDSA-N 425.411 5.075 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@H](O)C#Cc2cccc(Cl)c2)cc1Br 2231008746 LYXAHVSTONPXBN-GOSISDBHSA-N 436.733 5.535 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C 2235730410 OQOAUBWQIOBOLH-HKUYNNGSSA-N 437.422 5.108 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2cc(C)ccc2Br)c1 2236340273 YYYQXRFNAYGPEY-IBGZPJMESA-N 431.330 5.773 30 10 IKEE CC#CCCC[C@@H](NCCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248456637 SKKVUINJBKHWPD-HSZRJFAPSA-N 428.617 5.002 30 10 IKEE C=C1CC(C[C@@H](NCCC)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)C1 2248486757 MHSNQCIKVLBJCR-HSZRJFAPSA-N 428.617 5.165 30 10 IKEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CC[C@@H](C)C[C@@H]1OCc1ccccc1 2262202786 AXQXPURPMFEDPM-NKPLSRDGSA-N 438.564 5.395 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCCC)c2cccc(Cl)c2Br)C1 2272000819 WURJGLGPDYWUNY-QGZVFWFLSA-N 443.813 5.757 30 10 IKEE CCCCCCC[C@H](NC)[C@@](C)(O)c1cc(Br)c(Br)s1 2281285126 FGMNBLBXSLPWEQ-SWLSCSKDSA-N 427.246 5.429 30 10 IKEE C=CCOc1ccc(C=C2SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1OCC 2294623766 DYYFOROXQUWCDA-UHFFFAOYSA-N 449.956 5.848 30 10 IKEE COc1cc(C=CC(C)=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 2296515058 DUAQUPVCDKLPPQ-UHFFFAOYSA-N 430.125 5.946 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)C(=C(O)c4cccs4)[C@H]3c3ccccc3)sc2c1 2296606496 GRWWAAGOCUTIDK-HXUWFJFHSA-N 446.553 5.547 30 10 IKEE CCCCCCCCOc1ccc(C=C2SC(=S)N(c3ccccc3F)C2=O)cc1 2297458538 OJTZFKCXMUKUKM-UHFFFAOYSA-N 443.609 6.971 30 10 IKEE CC1(C)[C@H](C(=O)Nc2ccccc2N=CC=Cc2ccc([N+](=O)[O-])cc2)CC[C@@]1(C)C(=O)O 2313652959 SQGJAJWFORJZOI-DFBJGRDBSA-N 449.507 5.476 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cccc(OCc2ccccc2)c1 2314467409 OMNHGVQTFMNRPZ-DQEYMECFSA-N 436.596 5.613 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(CC)n1N=Cc1cccc2ccccc12 2320940956 GXAAAMWCOCGUGJ-UHFFFAOYSA-N 443.576 5.169 30 10 IKEE COc1ccc(C=C2Oc3cc(OCc4ccccc4C)cc(C)c3C2=O)c(OC)c1OC 2321740036 DVRHKVAFEIEBSP-UHFFFAOYSA-N 446.499 5.524 30 10 IKEE Cn1c(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C(F)(F)F)cc2ccccc21 2321784444 WODPYRHWFYYAOK-UHFFFAOYSA-N 449.889 5.617 30 10 IKEE CCOc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCc2ccccc2)C4)cc1 2321937223 BGYZWQNHOJPLHL-UHFFFAOYSA-N 441.527 5.405 30 10 IKEE CCCCN1COc2ccc3c(c2C1)OC(=Cc1cc(Br)ccc1OC)C3=O 2322040171 CRWDFHWPFFMGFA-UHFFFAOYSA-N 444.325 5.026 30 10 IKEE CCc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN([C@@H](C)c2ccccc2)C4)cc1 2322092601 XJDKMUFMYACTTF-IBGZPJMESA-N 425.528 6.087 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(Cl)cc2)c1OCC(=O)Nc1ccc(F)cc1 2322542352 DUGNHPKGJZJWOI-UHFFFAOYSA-N 439.870 5.401 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(Cl)cc(OC)c1OCc1ccc(C)cc1 2322643078 HMANCPWFNKRZHV-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE CCOc1cc(C=NNc2ccc(C)cc2)ccc1OCc1ccc(Br)cc1 2322926780 FIVQEGQNPOUWTK-UHFFFAOYSA-N 439.353 6.181 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2c(C)cccc2C)cc1Cl 2322974816 HPPXCGGJLOYYKP-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3cc(C)cc(C)c3)c2)cc1 2323135422 MKMRMZVLOJJKAU-UHFFFAOYSA-N 429.516 5.616 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1)Nc1ccccc1F 2323395847 QGOVPVIWLPHUPX-UHFFFAOYSA-N 425.459 5.893 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc4c(c3)CCCC4)cc2)cc1C 2323419847 KFNOIWPCNGUYHI-UHFFFAOYSA-N 439.555 6.096 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)C(Cl)=Cc4ccccc4)cc(C)c3C2=O)cc1 2323444181 NATXCOJRIJNMQA-UHFFFAOYSA-N 444.914 6.359 30 10 IKEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C[C@H]1CC(C)C 2323473007 BKNXJHDEZYQMOZ-GJZUVCINSA-N 444.616 5.191 30 10 IKEE Cc1c(OC(=O)C(C)(C)Oc2ccc(Cl)cc2)ccc2c1OC(=Cc1ccccn1)C2=O 2323710930 DZVNSRRYCVMSKX-UHFFFAOYSA-N 449.890 5.423 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1Cl 2323766576 UATDTEKBVMJIDS-UHFFFAOYSA-N 434.363 5.917 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OCc1ccc(C(=O)OC)o1 2323812877 YJKLHFZQNQJEBZ-UHFFFAOYSA-N 440.879 5.593 30 10 IKEE CCOc1ccc(C=NNc2nc(-c3c(C)cc(C)cc3C)cs2)cc1Br 2323844079 CMCGCCUPBCYHNB-UHFFFAOYSA-N 444.398 6.343 30 10 IKEE COc1cccc(-c2csc(NN=Cc3cc(Cl)c(OC(C)C)c(Cl)c3)n2)c1 2323858445 XRXJTUIBZKEGBR-UHFFFAOYSA-N 436.364 6.359 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(OC)c2)C3=O)cc1 2323865612 YRTVYYIGXIEXLM-UHFFFAOYSA-N 442.467 5.404 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(OC)c1OCC(=O)OCCC 2323985508 NONXTQSEIORKEV-UHFFFAOYSA-N 426.484 5.099 30 10 IKEE C=CCOc1c(Br)cc(C=CC(=O)c2ccc(F)cc2)cc1Br 2324184758 LQCFRCWPKPTGKI-UHFFFAOYSA-N 440.106 5.812 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)OC(C)C)cc2c1C(=O)C(=Cc1c(Cl)cccc1Cl)O2 2324305653 WEBQJGFABGGJJX-ZDUSSCGKSA-N 435.303 5.637 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)c1C 2324332870 ZPUSLAUZMQRQJH-UHFFFAOYSA-N 441.571 6.451 30 10 IKEE COc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1ccccc1)C2=O 2324426295 ZMYHRTUJPSPJLF-OAHLLOKOSA-N 449.890 5.371 30 10 IKEE Cc1ccc(OCCCCOc2ccc3c(c2C)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2324589039 YJRBENFZOFCTJS-UHFFFAOYSA-N 448.946 6.811 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc(OC)c1OCCO 2324599294 PDCAYZMWZMEZJS-UHFFFAOYSA-N 437.319 5.006 30 10 IKEE Cc1c(OC(C)C)ccc2c1OC(=Cc1cc(Br)cc3c1OCOC3)C2=O 2324738209 YNNGMVYYAOHIFA-UHFFFAOYSA-N 431.282 5.027 30 10 IKEE CCCCCCCCCOc1cc(C)c2c(c1)OC(=Cc1ccc(OC)c(OC)c1)C2=O 2325185366 VPJDWYYRSSLOJD-UHFFFAOYSA-N 438.564 6.758 30 10 IKEE Cc1ccc(CCOc2ccc3c(c2C)OC(=Cc2ccc(Br)cc2)C3=O)cc1 2325372669 IEYCEFJIRNMHCG-UHFFFAOYSA-N 449.344 6.304 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 2325704690 OVVVITSCAXDYCL-UHFFFAOYSA-N 431.444 5.281 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2ccc(Cl)cc2)cc1OC(=O)C(C)C 2325730085 SLJNIIZEGGZAJZ-UHFFFAOYSA-N 437.717 5.569 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2cccc(OC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 2325746492 MIVKPYUKIYTWDQ-UHFFFAOYSA-N 429.472 6.008 30 10 IKEE C=CCSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1cccc(C)c1 2325883875 BFINKRQXTXFVRJ-UHFFFAOYSA-N 442.588 5.912 30 10 IKEE C=C(C)CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccc(OC)cc1 2326908463 BPKJIJDZDBHARQ-UHFFFAOYSA-N 436.625 5.596 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)C1(C#N)CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 2327975669 RTTKDJDTSUCGHI-UPRAPAMISA-N 449.636 5.732 30 10 IKEE CCCCC1CCC(c2nnc(SC)n2N=Cc2cccc(Br)c2)CC1 2328106535 NLNPIUJMGYIOAO-UHFFFAOYSA-N 435.435 6.109 30 10 IKEE C=CCSc1nnc(COc2ccc(C)cc2C)n1N=Cc1ccccc1OC(C)C 2328903354 HADONKTVZKPRLW-UHFFFAOYSA-N 436.581 5.421 30 10 IKEE Cc1cccc(CSc2nnc(CCOc3ccccc3)n2N=Cc2ccccc2C)c1 2329167626 SYDHMKAOFNZRMY-UHFFFAOYSA-N 442.588 5.691 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2N=Cc2cccc(F)c2)c1 2329403787 JZTIQLFVTJVUAG-UHFFFAOYSA-N 444.579 6.108 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2N=Cc2ccccn2)c1 2329404001 CXMURPWYAUKKGN-UHFFFAOYSA-N 427.577 5.364 30 10 IKEE Fc1ccccc1CSc1nnc(-c2ccccc2Cl)n1N=Cc1cccs1 2329607823 NQHMMTIOTFRGIH-UHFFFAOYSA-N 428.945 5.974 30 10 IKEE Fc1ccccc1C=Nn1c(COc2ccccc2)nnc1SCc1ccccc1F 2329919028 LICIICOAHLVLSC-UHFFFAOYSA-N 436.487 5.310 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)C=Cc1ccc(OC)c(OC)c1 2330064226 PBKZJXYIZSXGFZ-QFIPXVFZSA-N 446.632 5.259 30 10 IKEE Clc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCCc2ccccc2)cc1 2330275772 XFHXJBVONPCUIQ-UHFFFAOYSA-N 439.028 6.271 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccccc3)n2N=Cc2ccccc2C(=O)O)c1 2330648027 ZYALKXQKNDEVCJ-UHFFFAOYSA-N 428.517 5.126 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccc(Cl)cc3)cc2)cc1C 2330855471 FYOISWBHYFCIRK-UHFFFAOYSA-N 434.919 6.091 30 10 IKEE Cc1nc2ccc(C(=O)Oc3ccc(C=CC(=O)c4cccc(Cl)c4)cc3)cc2nc1C 2331116082 HNFKPWLFHUZCHY-UHFFFAOYSA-N 442.902 6.015 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)CC(C)(C)C 2331129393 UXMGFGIDKYGQLU-UHFFFAOYSA-N 435.347 6.630 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)c1ccccc1F 2331142432 OQWXKBVGLFMBBY-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccncc1 2331254568 BGZAGZOKKXBFJK-UHFFFAOYSA-N 428.271 5.512 30 10 IKEE COCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1c(Cl)cccc1Cl 2331286677 YFIQRYZFNKLJFZ-UHFFFAOYSA-N 449.407 5.565 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Br)c1OC(=O)C(C)C 2331345819 BASJWQORAPWGLB-UHFFFAOYSA-N 449.316 5.753 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(OC)ccc2OC)ccc1OC(=O)c1cccc(C)c1 2331391877 REHRVUBOQYHOSG-UHFFFAOYSA-N 446.499 5.526 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OCC 2331500152 HBLDAGRXMBCGBF-UHFFFAOYSA-N 428.956 6.854 30 10 IKEE COc1ccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2C2CCC2)cc1OC 2331522940 PPERSJXQVSQVSV-UHFFFAOYSA-N 436.581 5.354 30 10 IKEE COc1ccc(OC)c(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CCC2)c1 2331539748 QXKYQMDGYVFKBP-UHFFFAOYSA-N 442.972 5.391 30 10 IKEE CCCc1nnc(SCC)n1N=Cc1ccc(OCc2ccccc2C)c(OCC)c1 2331644370 BGNDOKLVJRIJCQ-UHFFFAOYSA-N 438.597 5.511 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)Cc1ccc(C)cc1 2331705171 KCAVXRPBXHRIIA-UHFFFAOYSA-N 444.527 5.673 30 10 IKEE Cc1ccccc1CSc1nnc(C2CC2)n1N=Cc1cccc(Br)c1 2331726079 BFCKQGRHZMNCGH-UHFFFAOYSA-N 427.371 5.401 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2C2CC2)cc1OCC 2331731149 CVLZDAAQKKLHEE-UHFFFAOYSA-N 436.581 5.436 30 10 IKEE CCCN[C@H](C#C[C@H]1CC1(C)C)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2365089816 KUNKABMIZSNKQQ-MAUKXSAKSA-N 435.406 5.886 30 10 IKEE CC1(C)OB(/C=C/c2ccc(Oc3cccc(Br)c3Cl)nc2)OC1(C)C 2365118523 CUFKZIBDRZTOGE-ZHACJKMWSA-N 436.542 5.934 30 10 IKEE CCCCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(C)cc2)C2=C1CC(C)(C)CC2=O 4562813 XYUPYRRVVTWALL-UHFFFAOYSA-N 433.636 6.871 30 10 IKEE Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)c3ccc(C(F)(F)F)cc3)cc(C)c2c1 12241698 YXSUHMMDTYGYQY-UHFFFAOYSA-N 449.436 5.489 30 10 IKEE COc1cc(/C=C/C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)ccc1OCC#N 14576695 VDOISUNGHVQFCL-NTUHNPAUSA-N 441.512 5.526 30 10 IKEE Cc1cc(C)c(/N=C2\[C@H](N3CCCC3)C3(CCCCC3)C(=S)N2c2ccccc2)c(C)c1 15861752 ORWPOPVZDZXYQY-XLPMDEKGSA-N 445.676 6.904 30 10 IKEE C=CCN1C(=O)/C(=C/c2cccc(Br)c2)S/C1=N\c1ccc(C)cc1O 16932593 XMLNNXHWJALEON-JLZFKDTQSA-N 429.339 5.253 30 10 IKEE O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccc([N+](=O)[O-])cc1)Nc1ccccc1N2 20885638 SMJGNOKPHVFSNP-SSOJOUAXSA-N 445.906 6.228 30 10 IKEE O=C1C[C@H](c2c(F)cccc2Cl)C2=C(C[C@@H](c3ccc(Cl)c(Cl)c3)CC2=O)N1 21231404 NGEPVFHGPBBAMI-VXGBXAGGSA-N 438.713 5.790 30 10 IKEE CC(C)Oc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2O)cc1 21240716 LCLXUHBONZSXPB-HMILPKGGSA-N 440.543 6.159 30 10 IKEE CCOc1cccc(/C=N\Nc2ncnc3sc4c(c23)C[C@H](C(C)(C)CC)CC4)c1O 27527951 JOJIOOVINFSSSJ-TWILBZOKSA-N 438.597 5.783 30 10 IKEE CC(C)[C@H](C(=O)O[C@@H](C#N)c1cccc(Oc2ccccc2O)c1)c1ccc(Cl)cc1 31516196 DGQZGRIBSTXBJK-ZEQRLZLVSA-N 435.907 6.386 30 10 IKEE C=CCC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)CC1CC1 36307323 UNPKEQHJLQCOMQ-HSZRJFAPSA-N 449.570 5.558 30 10 IKEE C=CCC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC1CC1 36307791 PGUDAGBVZDGKMW-HSZRJFAPSA-N 449.570 5.558 30 10 IKEE C=CCN1C(=O)c2[nH]nc(-c3cc(C)cc(C)c3O)c2[C@H]1c1cccc(OCCCCC)c1 39912132 NWBLDDPPJNLYLM-RUZDIDTESA-N 445.563 5.699 30 10 IKEE O=[N+]([O-])c1ccc(/C(=N/OCCOc2ccccc2)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)cc1 59503114 NKAJMJNCVXJYNQ-UPKQQVTQSA-N 436.895 5.852 30 10 IKEE Cc1cccc(CSc2nc3ccc(/N=C/c4c(O)ccc5ccccc45)cc3s2)c1 59517215 KQXZWDFCEJAKRR-JFLMPSFJSA-N 440.593 7.506 30 10 IKEE CCCCCCCCCCCCCCCC(=O)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C 97943338 SMAWUTBOJBVYFQ-QFIPXVFZSA-N 439.681 7.409 30 10 IKEE C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@@H]2CC[C@@H]3[C@@H](C)/C=C/[C@@H](C)[C@@H](C)CO)C[C@H](O)C[C@@H]1O 97978136 FEVQPNVYQOMSLW-YXSDDGLWSA-N 428.657 5.584 30 10 IKEE in-vitro CCOc1c(Cl)cc([C@@H]2NC(=S)N(CC)C(C)=C2C(=O)c2ccccc2)cc1OC 169932049 LEVFBIQLCRHDJV-FQEVSTJZSA-N 444.984 5.155 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@@H](c2ccccc2OCc2ccccc2C)NC(=S)N1C 169935137 HYDQTWKDSZIYPT-RUZDIDTESA-N 442.584 5.592 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1Cc1cccs1 169939582 RQEDHNXRFPVNGG-JOCHJYFZSA-N 445.496 5.281 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2cccnc2)c(C)c1 170005959 NJLNVDVDTJXLLD-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2c[nH]c3ccccc23)cc1 170076637 BBICPZMJQSKZFM-HSZRJFAPSA-N 426.472 5.102 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2cccc(O)c2)cc1C 170082567 GPHSBQAIQUMNHE-JOCHJYFZSA-N 435.426 5.070 30 10 IKEE CCCOc1ccc(C2=C(Sc3ccccc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170091177 ISRQRCJIUBVQDR-UHFFFAOYSA-N 440.524 5.424 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@@H]2c2ccco2)cc1 170092579 ZTVDGXWKELYBDE-HXUWFJFHSA-N 441.842 5.254 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@@H]1c1cccc(OC)c1 170121055 YQMDCTOACXPERS-NRFANRHFSA-N 443.927 5.126 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCCOC(C)C)c1 170148145 UXJPALUSFOSMSI-VWLOTQADSA-N 447.575 5.267 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(OC(C)C)cc1 170152103 VADINHSAWSDPFW-VWLOTQADSA-N 443.543 6.005 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccs2)cc1C 170156705 XVVGMAOJFOABNJ-HSZRJFAPSA-N 447.556 5.937 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)[C@@H]2c2ccccn2)cc1 170174476 RFTAZLNXGDDEFO-QFIPXVFZSA-N 444.874 5.573 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2cccnc2)cc1C 170185412 MBZGTSXCHQMPIM-DEOSSOPVSA-N 442.515 5.107 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccncc2)c1 170203638 DHOFVXKTUWLITD-QFIPXVFZSA-N 448.906 5.305 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccccc2)c(C)c1 170227999 WBHMRRKGXPZJAK-XMMPIXPASA-N 427.500 5.403 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccc(F)cc2)cc1C 170239328 CPBKNJRONYBXBA-QHCPKHFHSA-N 447.462 5.021 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@H]1c1ccc(F)cc1 170243414 AMTAUMDRGPJZTJ-JOCHJYFZSA-N 425.500 5.254 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccccc1F)c1ccc(Cl)c(Cl)c1 170253580 HFQMUHHIFBXDCP-LJQANCHMSA-N 434.294 5.653 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1c[nH]c2ccccc12 170256035 CUUAXZSUWVOZNY-QHCPKHFHSA-N 428.488 5.683 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccc(C)o2)c1 170300334 YPTIAIGJMHWRRE-XMMPIXPASA-N 427.500 5.558 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(C)c2)cc1 170341873 YJIKQHOGYUNHCU-VWLOTQADSA-N 440.543 5.624 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(OC)cc2)cc1 170362356 PCDQEOWTQBDJMZ-DEOSSOPVSA-N 443.499 5.267 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(N3CCCC3)cc2)[C@@H]1c1ccc(F)cc1)c1cccs1 170376026 DKXMXJSSBOARKB-JOCHJYFZSA-N 448.519 5.270 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)C(C)C)=C(O)C(=O)N2Cc2cc(C)ccc2C)cc1 170455096 LXZRJRIUJJJISW-XMMPIXPASA-N 434.580 5.270 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 170467209 HEPSJSCJEDWSIU-XMMPIXPASA-N 443.543 6.483 30 10 IKEE Oc1ccccc1-c1cc(-c2ccccc2)nc(NN=Cc2ccc(Br)cc2)n1 252622846 ODZQYOZRBGRAMF-UHFFFAOYSA-N 445.320 5.725 30 10 IKEE CCSc1nnc(-c2ccco2)n1N=Cc1ccc(COc2cccc(Cl)c2C)o1 254440661 FBYGKKDUUMRILZ-UHFFFAOYSA-N 442.928 5.666 30 10 IKEE COc1cc(C=NO)c(Br)c(Br)c1OCc1ccccc1Cl 254765389 LNHSYMFUIDWPSJ-UHFFFAOYSA-N 449.526 5.261 30 10 IKEE CCOc1cc(C=Nc2ccc3ccccc3c2)ccc1OC(=O)c1cccc2ccccc12 254852217 XECVFPMXXTWKHV-UHFFFAOYSA-N 445.518 7.362 30 10 IKEE CC1CCN(S(=O)(=O)c2ccc(N=Cc3c4ccccc4cc4ccccc34)cc2)CC1 257354403 XOHJBJIRQOJVFF-UHFFFAOYSA-N 442.584 6.164 30 10 IKEE CC(C)(C)[C@@H]1CCc2nc(SCC(=O)Nc3cccc4ncccc34)c(C#N)cc2C1 261526933 QUJWGEPQYXRHIJ-GOSISDBHSA-N 430.577 5.383 30 10 IKEE Cc1ccc([C@@H]2C(c3ccc(Cl)cc3Cl)=C(O)C(=O)N2c2ccccc2C#N)cc1 526608798 NWWVNJFQHVJWER-JOCHJYFZSA-N 435.310 6.231 30 10 IKEE Cc1nnc(SCc2ccccc2)n1/N=C\c1cc(Cl)c(OCC(C)C)c(Cl)c1 526798863 BVHINAGMJFDIHJ-MYKKPKGFSA-N 449.407 6.103 30 10 IKEE CCOc1c(Cl)cc(/C=N\n2c(CC)nnc2SCc2ccccc2)cc1OC 526798895 CEIVVPFJBSYZMI-QRVIBDJDSA-N 430.961 5.076 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1ccc(OC)c(O)c1 526814509 KSVYCCDMAIYBTJ-YVNNLAQVSA-N 437.352 5.036 30 10 IKEE Cc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1ccccc1OCc1ccccc1 526822327 HQQRPRGABNKZNL-YUMHPJSZSA-N 439.544 5.212 30 10 IKEE C=C(C)CN(c1ccc(OCC)c(OCC)c1)S(=O)(=O)c1ccc(OC(C)C)cc1 586257290 ZJBKOMPPTALGJU-UHFFFAOYSA-N 433.570 5.043 30 10 IKEE CCCCCCC[C@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 693654517 JAQSMNGSYUXJKC-IGKIAQTJSA-N 445.692 5.885 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@]1(C#N)CCOc2ccc(Br)cc21 698369312 IBXIFPLBOPLZHJ-NRFANRHFSA-N 435.362 5.520 30 10 IKEE CC[C@](C#N)(C1CN(C(=O)OC(C)(C)C)C1)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 716132977 CWIYPFLFUVOBKI-QHCPKHFHSA-N 433.524 5.106 30 10 IKEE CCN[C@@H](CC#CC(C)(C)C)c1ccc(I)c(Br)c1 721648115 RUXACSXRIZMQCU-HNNXBMFYSA-N 434.159 5.144 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 724069025 HXNHZSLPIINBSC-KOSHJBKYSA-N 429.561 5.324 30 10 IKEE N#C[C@@H](C(=O)/C=C\Sc1cc(F)ccc1F)c1nc(O)c2c3c(sc2n1)CCCC3 797938876 NVDCTVFZYJRSBY-WSROAFLRSA-N 443.500 5.036 30 10 IKEE CC/N=C1\S/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)N1CC 1084427137 IMLMBBXOLHGSEK-WTUADNJESA-N 435.376 5.885 30 10 IKEE O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C/c1c2ccccc2cc2ccccc12 1084438823 LOESAQALWJQRCG-FYJGNVAPSA-N 449.362 7.191 30 10 IKEE C[C@@H](CCc1ccccc1)/N=C(/Nc1cc(-c2ccccc2)ccc1O)N1CCN(C)CC1 1088684302 NKFPQYMJCUSFEQ-QFIPXVFZSA-N 442.607 5.096 30 10 IKEE C[C@H]1CN(/C(=N/[C@H](C)CCc2ccccc2)Nc2cc(C(C)(C)C)ccc2O)C[C@@H](C)N1 1088684481 YUYBKZWFAHWSPL-NJYVYQBISA-N 436.644 5.161 30 10 IKEE C#C[C@@H](NC(=O)CNc1nc(C)nc2sc(-c3ccccc3)cc12)c1ccc(Cl)cc1 1642103009 JUMIVCSZTHLMLZ-HXUWFJFHSA-N 446.963 5.223 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)[C@@]12CC[C@@](C)(C(=NOC(=O)c3ccccc3)C1)C2(C)C 1772722171 AGAXOAMCROGDLT-LOSJGSFVSA-N 438.955 6.016 30 10 IKEE C/C(=C1/SC(=Nc2ccncc2Cl)N(C2CCCCC2)C1=O)c1ccc(F)cc1 1772737735 RDOPMRDZXVZGTP-NKFJNAIASA-N 429.948 6.201 30 10 IKEE N#Cc1ccccc1NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)n(Cc2ccccc2)n1 1859390154 KYLKLHAQSFZBLQ-UHFFFAOYSA-N 447.325 6.029 30 10 IKEE CC(C)N(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 1859881494 CWKLMEFIGXUHMM-UHFFFAOYSA-N 443.309 6.798 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CC)NC(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1 1861428859 SVCQCXGMMDEQGH-OAQYLSRUSA-N 434.584 5.215 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCC)NC(=O)c1ccc(OCCCCCC)cc1 1861524537 USKGSXUBEQZTNX-DEOSSOPVSA-N 432.649 6.021 30 10 IKEE CCOc1ccc(-c2nc3ccc(C(=O)Nc4cccc(C#N)c4)cc3[nH]2)cc1OCC 1861860707 QJIDXSZYRHZGKS-UHFFFAOYSA-N 426.476 5.151 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862395557 SGDNTCROOAYHFP-XMMPIXPASA-N 430.548 5.889 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1C 1862397900 MYMCKYIGIBQVRU-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(OC(C)C)c(OC)c1 1862439228 XEWUZGMILKYPKZ-NRFANRHFSA-N 443.927 5.124 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(O)c1 1862442527 KDJGBKAVFKBFTK-KNQAVFIVSA-N 441.955 5.983 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccc(C(=O)O)cc2)cc1 1862478234 BSFUBSBXJRCNIY-HSZRJFAPSA-N 447.531 5.384 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc2ccccc12 1862480903 RDVJPXXBEPOEFU-VWLOTQADSA-N 427.544 6.307 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(F)cc1 1862490220 QGXBIOIXVDDRDY-DEOSSOPVSA-N 445.490 5.230 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2cccc3ccccc23)cc1 1862518093 CBGSBODCBPZAQF-XMMPIXPASA-N 429.516 5.615 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862559207 JPLFYSCKIICTSV-XMMPIXPASA-N 446.547 5.136 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1cccc(F)c1)c1cccc2ccccc12 1862650367 UHEAEJQSLPWTOQ-VWLOTQADSA-N 443.518 6.280 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 1862673821 OYEIWRXXWUXIIY-IRLDBZIGSA-N 427.491 5.902 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccc(OC)cc2)cc1 1862689251 LVQHIASRHHIDMC-XMMPIXPASA-N 447.531 5.173 30 10 IKEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccccc2)cc1 1862698224 DGTQEWMAPRXAST-OSPHWJPCSA-N 443.499 5.043 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccccc1C 1862699717 WYEVHLYWUPQNAO-YKSBVNFPSA-N 435.564 5.941 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862703350 UWGREQXMBQBIOU-OSPHWJPCSA-N 443.499 5.043 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc2ccccc12 1862719380 KRRCCAKTUAKCFL-HFJWLAOPSA-N 435.523 6.370 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(Cl)cc1 1862725606 NBJLYTYOXCMWSZ-DEOSSOPVSA-N 445.946 6.385 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(Cl)cc2)C1=O 1862790963 PNVWSBHXVPTDQZ-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE COc1cccc(NC2=C(c3cccc4ccccc34)C(=O)N(c3ccccc3C#N)C2=O)c1 1862854532 XZSOYNBRBOSJME-UHFFFAOYSA-N 445.478 5.117 30 10 IKEE N#Cc1ccc(NC2=C(c3cccs3)C(=O)N(c3cc(Cl)ccc3Cl)C2=O)cc1 1863114686 APKLKDMMZMOPGG-UHFFFAOYSA-N 440.311 5.323 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc3nc[nH]c3c2)=C(c2ccc(OC)cc2)C1=O 1863330836 XSIUQCBZLSPNKF-UHFFFAOYSA-N 446.551 5.124 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(OC)cc2)C(=O)N(CCC(C)C)C1=O 1863676936 OXFUZCKWFIENLV-UHFFFAOYSA-N 428.617 5.552 30 10 IKEE CCCC[C@H](NC(=O)C[C@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccccc1C#N 1866746799 QPEDTBRNAULDLE-AHWVRZQESA-N 447.623 6.125 30 10 IKEE CC(C)(C)c1nc(Nc2cccc(C#N)c2)cc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)n1 1868333266 CTWDBXFIBVENLK-OAQYLSRUSA-N 447.970 5.621 30 10 IKEE N#Cc1ccccc1Nc1cc(N2CCC[C@@H](Oc3ccccc3)C2)nc(-c2cccnc2)n1 1868572820 IGEOHHKMSFNVRX-HSZRJFAPSA-N 448.530 5.202 30 10 IKEE CCCCCCCCCCNC(=O)c1cn(CCCCc2ccccc2)c(=O)cc1O 1870120405 BHNPRDPNBPHJPW-UHFFFAOYSA-N 426.601 5.447 30 10 IKEE C=CCOc1cn(C[C@@H](c2ccccc2)N2CCCC2)c(CNc2cccc(F)c2)cc1=O 1870811708 FSYACYUWRYYVIK-VWLOTQADSA-N 447.554 5.001 30 10 IKEE CCCCCCCOc1cn(CCc2ccccc2)c(CNc2cc(C)ccc2C)cc1=O 1870830216 IHYFXAGUVNQOBX-UHFFFAOYSA-N 446.635 6.669 30 10 IKEE C=CCn1cc(OCc2cccc3ccccc23)c(=O)cc1CNc1ccc(Cl)c(C)c1 1870918527 IHBWPLFDAFUFOZ-UHFFFAOYSA-N 444.962 6.340 30 10 IKEE C=CCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(OC)cc4)cc(=O)c3c2)cc1 1871357858 ADAYSTCQQLMOLB-UHFFFAOYSA-N 427.456 5.286 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc(C)c3C2=O)cc1 1871370783 DPGPMNJKRNTXET-XKZIYDEJSA-N 429.428 5.301 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OC(=O)c3ccc(Cl)c(Cl)c3)cc(C)c2C1=O 1871372276 IOIHSJVRFKHYSS-ZDLGFXPLSA-N 445.323 6.507 30 10 IKEE Cc1c(OC(=O)/C=C/c2ccc(Cl)cc2)ccc2c1O/C(=C\c1ccccc1F)C2=O 1871374978 MXFMHXHVKWZJKF-TXTIWSOFSA-N 434.850 6.023 30 10 IKEE Cc1c(OC(=O)CC2CCCCC2)ccc2c1O/C(=C\c1c(Cl)cccc1Cl)C2=O 1871380484 QHDXNSHDFZQGML-BKUYFWCQSA-N 445.342 6.794 30 10 IKEE Cc1c(OC(=O)c2ccc(OCC(C)C)cc2)ccc2c1O/C(=C\c1ccccc1F)C2=O 1871383052 KLDGMABHEXUPGL-OYKKKHCWSA-N 446.474 6.004 30 10 IKEE Cc1c(OC(=O)CCOc2ccccc2)ccc2c1O/C(=C\c1ccccc1Cl)C2=O 1871384379 YFBSCYXOLKQFFB-JCMHNJIXSA-N 434.875 5.639 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(Cl)cc2)C3=O)c1 1871388082 VPWIBIXBHQLQPJ-UCQKPKSFSA-N 448.902 6.273 30 10 IKEE Cc1cc(O)c(CN2CCC(Cc3ccccc3)CC2)c2c1C(=O)/C(=C/c1cccs1)O2 1871395610 YEAPVVXEUCXSME-JLPGSUDCSA-N 445.584 5.833 30 10 IKEE Cc1cccc(C(C)C)c1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccncc1)C2=O 1871422294 JGPCAFKCKWANSJ-UCQKPKSFSA-N 442.515 5.456 30 10 IKEE COc1ccc(C)cc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(F)cc1)C2=O 1871428807 USSBKFADBIEDTC-QRVIBDJDSA-N 447.462 5.085 30 10 IKEE Cc1c(OC(c2ccccc2)c2ccccc2)ccc2c1O/C(=C\c1cccc(F)c1)C2=O 1871431260 LPLNAELJIFPHPY-ITYLOYPMSA-N 436.482 6.919 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(O[C@H](C)C(=O)Nc3c(C)cccc3C)cc(C)c2C1=O 1871431738 VPJXXKXSACOTQU-LZAZYHHXSA-N 447.556 6.004 30 10 IKEE CCOC(=O)c1ccc(COc2ccc3c(c2C)O/C(=C\c2cccc(Cl)c2)C3=O)o1 1871439451 ZZGRJWNHLYEJNJ-MTJSOVHGSA-N 438.863 5.613 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O)Nc1ccc(Cl)cc1F 1871447369 RCKRPPTYOAZKFF-NKVSQWTQSA-N 441.817 5.252 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1C 1871458541 BMMXBLAOTBNENH-FMCGGJTJSA-N 447.918 5.899 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(OC(C)C)cc2)[nH]c(N(CC)CC)n1 1871722488 IHPCRIAYFXALEY-UHFFFAOYSA-N 428.625 5.443 30 10 IKEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(F)cc1 1871828870 CABRQJKIFHKOCV-HSZRJFAPSA-N 446.588 5.179 30 10 IKEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccccc1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872409645 QXWQCKBZHRSAHD-QHCPKHFHSA-N 442.625 5.150 30 10 IKEE Cc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 1872760764 XJPRAIZFEGTDIZ-QHCPKHFHSA-N 430.573 6.033 30 10 IKEE COc1ccc(C)cc1-c1csc([C@H](C#N)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 1872771518 WLGUKICGBDHEJN-OAHLLOKOSA-N 427.869 5.179 30 10 IKEE Cc1ccc(C)c(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(Cl)cc3Cl)n2)c1 1872771751 BIUBWBNOAXUTMM-IWHGQQBYSA-N 427.356 6.623 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)Cc2ccccc2Cl)n1 1872777159 HOUUXAZNVWKIGG-GOSISDBHSA-N 438.980 6.189 30 10 IKEE COc1c(Cl)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)c2ccc(N(C)C)cc2)n1 1872778313 IVVRYCQFNYSSFP-INIZCTEOSA-N 446.359 5.682 30 10 IKEE COC(=O)c1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc1 1872786500 LZDWJIFQLTVJSV-JRMCHAMMSA-N 430.529 5.412 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3cccc(C)c3C)n2)c2ccccc12 1872789040 WYQVIRGVHLWQED-NRFANRHFSA-N 442.540 5.844 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H]2CCCC[C@@H]2C)=C(c2ccc(F)c(C)c2)C1=O 1873152593 IQYYBUAPSSDREX-PGRDOPGGSA-N 428.592 5.743 30 10 IKEE C=CCN(CC=C)c1nc(Nc2ccc(C)c(Cl)c2)c2cnn(-c3ccccc3)c2n1 1873481507 BPBXYSCTXDBLOB-UHFFFAOYSA-N 430.943 5.699 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccccc3OCCCC)c(=O)oc2c1C 1873953577 HGBKMFFGPZHSFW-UHFFFAOYSA-N 449.547 5.725 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2Cl)n1/N=C/c1cccc(Cl)c1 1874266871 TWRPGSKIWRUIER-FOKLQQMPSA-N 433.364 5.714 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1cccnc1 1874376660 HMCOCQSJZFDARX-VULFUBBASA-N 437.931 5.231 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(F)cc3)n2/N=C/c2ccc(F)cc2)c1 1874378095 DVYZRVHMMRLQAB-JFLMPSFJSA-N 434.515 5.630 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCCC3)n2/N=C/c2cccc([N+](=O)[O-])c2)c1 1874455709 HNSSERDSLHDJFV-ZVHZXABRSA-N 435.553 5.635 30 10 IKEE Clc1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2cccs2)cc1Cl 1874457266 JACREQISMAJCOY-SSDVNMTOSA-N 437.421 6.479 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccco3)n2/N=C/c2cn(C)c3ccccc23)cc1 1874464122 SHZXUKNLHUYQSQ-AFUMVMLFSA-N 427.533 5.513 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2cccc(Cl)c2)c1C 1874510542 SPRYGIQFSWYVHI-WYMPLXKRSA-N 441.988 5.285 30 10 IKEE Sc1nnc(CC2CCCCC2)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874560650 ISKKEFLLJUJVGN-MFKUBSTISA-N 441.000 5.804 30 10 IKEE Cc1ccc(COc2ccc(Cl)cc2/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1 1874591317 FBKVQBZITSBUJT-UXBLZVDNSA-N 431.746 7.430 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)NCc3ccco3)c2)c2ccccc12 1874600935 KNOHZHZXGQSSCU-ACCUITESSA-N 441.483 5.033 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc3ccccc23)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 1874613276 LYZRKUGMOVGDHI-RIYZIHGNSA-N 443.886 6.877 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1 1874614606 UUJIVROYFGWDOC-MDWZMJQESA-N 427.327 6.867 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCc1c(Cl)cccc1Cl 1874616480 CIBOXKYSZFJNNV-XYOKQWHBSA-N 427.327 6.786 30 10 IKEE CCCOc1c(Cl)cc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)cc1OCC 1874639774 NZQPANFULNMDBW-CSKARUKUSA-N 434.916 5.449 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc3cc(Cl)ccc3n2)c1)c1ccc(F)c(F)c1 1874711201 UUPRTWVGXUJRDB-NYYWCZLTSA-N 449.840 6.282 30 10 IKEE Cc1cncc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(Oc4ccccc4)cc3)c2)c1 1874712316 FCDXAXPWMPYPRW-XNTDXEJSSA-N 435.479 6.298 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)C3(c4ccc5c(c4)OCO5)CC3)c2)cc1C 1874714365 RKHDXTRARMOVNH-JXMROGBWSA-N 440.495 5.565 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3sccc3C)c2)c(OCC)c1 1874715031 ZGGUQSXXHKDLFV-FMIVXFBMSA-N 436.529 5.969 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(F)cc2)CSc2nnc(CC(C)C)n21 1874886313 COWNICWLHMEIDL-FQEVSTJZSA-N 432.609 5.678 30 10 IKEE COc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc4ccccc4c3)cc2)cc1 1875096250 DWSNERIYCHTPQY-CAOOACKPSA-N 438.479 5.729 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3ccc(/C=C/C(=O)c4ccc5c(c4)CCCC5)cc3)c(C)c2c1 1875096959 NFAMCEYCHPOVIL-MHWRWJLKSA-N 449.550 6.779 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc(OC)c1OC(=O)CCCC 1875103772 OPXCGVDPGULASI-ACCUITESSA-N 438.520 5.433 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc(Cl)c3)cc2Cl)cc1 1875121549 VCIIDDAYZWTGJI-VZUCSPMQSA-N 427.283 6.117 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 1875126622 QCPCBOTUMZAITH-WUXMJOGZSA-N 437.835 5.372 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccco3)c(Br)c2)c(C)c1 1875131943 WTEZIOGFNSJAGP-RMKNXTFCSA-N 425.278 5.774 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Br)c1OC(=O)CC 1875140110 QDAJHZBELCJVQM-MDZDMXLPSA-N 431.326 5.676 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Br)c1OC(=O)C1CC1 1875142656 NMVGXOFEBQDETG-RUDMXATFSA-N 447.300 5.507 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)c(F)c3)c(Cl)c2)cc1 1875155707 QACYOSFUIMEIFA-QDEBKDIKSA-N 440.873 6.857 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)c(F)c2F)c(Cl)c1)c1ccc(F)cc1 1875158521 ZYEABIDXCDUIJJ-XLUWADSXSA-N 434.772 6.012 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OC(=O)C(F)(F)F 1875170392 VLQKENVQGVMKIM-MDZDMXLPSA-N 446.465 6.021 30 10 IKEE C=C(COC)[C@@H](NCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875650079 LFBYRXDLRXFAPB-IZLXSDGUSA-N 447.575 5.059 30 10 IKEE O=C(Nc1ccc(C(F)(F)F)c(F)c1)c1ccc(Br)cc1C(F)(F)F 1889902567 BNNCXDPZUGPCSX-UHFFFAOYSA-N 430.117 5.878 30 10 IKEE CC(C)(C)c1cc(C(=O)N2CCC(COc3cc(C#N)ccn3)CC2)cc(C(C)(C)C)c1 1891178680 HTUINSOONHGXCP-UHFFFAOYSA-N 433.596 5.479 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C=CC(=O)c2c(Cl)cccc2Br)cc1 1912010441 NYMQTCOMHDBJTQ-UHFFFAOYSA-N 436.733 6.346 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2cccc(C)c2Br)cc1 1927306366 ZKHGWAAWXZNGIW-SFHVURJKSA-N 431.330 5.773 30 10 IKEE COc1cccc([C@@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)c1Br 1927306623 UJMZEICLCGWTDJ-QGZVFWFLSA-N 431.330 5.460 30 10 IKEE C=C(Cl)C[C@@H](NCCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1976565056 OHEKBYOUXXSLAE-ZJSXRUAMSA-N 437.024 5.341 30 10 IKEE CC(C)(C)OC(=O)N1CC2(C1)CC(C#N)(N(C(=O)OC(C)(C)C)c1ccccc1Cl)C2 2011945898 ULKHDTJLVIFURT-UHFFFAOYSA-N 447.963 5.375 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2031496802 IIUGECOZGVMMRJ-CYFREDJKSA-N 447.551 5.687 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2031501543 ZQNUAWICUUTYLL-YADARESESA-N 447.551 5.687 30 10 IKEE O=C(C=Cc1cccc(Cl)c1Cl)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 2040457837 ATUJQIZTTRXGNN-UHFFFAOYSA-N 438.376 5.454 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)C1CCCCCC1)C2 2041702381 OWWDBVREEFQMRO-NXKWYNOOSA-N 447.620 5.771 30 10 IKEE Cc1ccc([C@@H](n2nc(C(F)(F)F)c(/C=N/O)c2Br)C(C)(C)C)cc1F 2079007349 RITPDLZETJINHR-VKKHMPROSA-N 436.247 5.556 30 10 IKEE CCc1ccc([C@H](n2nc(C3CCC3)c(C#N)c2I)C(C)(C)C)cc1 2079078382 LFNNYYMYDFTYAF-IBGZPJMESA-N 447.364 5.825 30 10 IKEE CC(C)[C@@H](c1ccc(C2CC2)cc1)n1nc(C(F)(F)F)c(/C=N/O)c1Br 2079083241 XLPZJIVTQAGAPA-RRDOOKONSA-N 430.268 5.595 30 10 IKEE Cc1cc(C)c([C@H](C(C)C)n2nc(C3CC3)c(C#N)c2I)c(C)c1 2080006858 MLJWWXKIYMEDKR-IBGZPJMESA-N 433.337 5.407 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(C)c1Br)NCC 2087873851 AFIHNMCXKSQXSG-ROUUACIJSA-N 425.411 5.138 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1cnc(C(C)(C)C)[nH]1 2169531860 QAQBKYUHPGOART-INIZCTEOSA-N 433.350 5.476 30 10 IKEE CCCN(c1ccc(C#N)c(Br)c1F)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2174811632 ADUQUXTWRJJZQR-OAHLLOKOSA-N 440.357 5.076 30 10 IKEE CC(C)N(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(C#N)cc1Br 2174812323 JXCXFSYJJDPDCD-KRWDZBQOSA-N 436.394 5.183 30 10 IKEE Brc1ccc(Br)c(CN=C2N[C@H](c3ccsc3)CS2)c1 2175633970 LVOICMFOIVJFPL-ZDUSSCGKSA-N 432.206 5.207 30 10 IKEE C=C(CC)C[C@H](NCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229110738 TUEIVNSCQWCPPL-RBUKOAKNSA-N 425.411 5.219 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCC[C@H]2Nc2ccc(Br)cc2C#N)C1 2233764574 SABXLLDOFLNTGE-POZUXBRTSA-N 434.378 5.158 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CCCC1CCN(C(=O)OC(C)(C)C)CC1)NCCC 2256090694 AMHRKOWSPDCERB-RUZDIDTESA-N 444.660 5.945 30 10 IKEE C#CCC[C@H](OCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2261612130 AERFIBWLMUYKGI-DEOSSOPVSA-N 430.500 5.400 30 10 IKEE Cc1ccc([C@H](O)C#Cc2cccc(Br)c2)c(NC(=O)OC(C)(C)C)c1C 2296232967 SGXYHWPBNNYDBR-LJQANCHMSA-N 430.342 5.498 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@](C)(CCC)NC(=O)OC(C)(C)C 2296296718 QVFGUXFVJHFLLB-DENIHFKCSA-N 437.422 5.252 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)CC(C)(C)N(C)C(=O)OC(C)(C)C 2296303044 QQHGXNQFVHJUKZ-IBGZPJMESA-N 437.422 5.204 30 10 IKEE COC(=O)c1ccc2c(c1)C(=O)C(=Cc1ccc(-c3cccc(Br)c3)o1)O2 2314519312 IMESJPYUYZJQBO-UHFFFAOYSA-N 425.234 5.112 30 10 IKEE CCN1C(=O)C(=Cc2ccc(O)c(OC)c2)SC1=Nc1nc(-c2ccccc2)cs1 2314543765 LYAIYUYYFFJTBY-UHFFFAOYSA-N 437.546 5.148 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CC3)n2N=Cc2ccc(Cl)cc2Cl)c1 2320858430 ZWRLNKSBKUIKMZ-UHFFFAOYSA-N 431.392 6.254 30 10 IKEE CCCCCOc1ccccc1C=Nn1c(S)nnc1COc1ccc(Cl)cc1 2322145526 IBXJXCKSSGOKML-UHFFFAOYSA-N 430.961 5.250 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Br)ccc2OCc2cccc(C)c2)cc1 2322443065 ZLMKLPAEKHKJKC-UHFFFAOYSA-N 437.333 6.241 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Br)ccc2OCc2ccc(F)cc2)cc1 2322586357 NLEBZGRVFGNWON-UHFFFAOYSA-N 425.297 6.372 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)NC2CCCCC2)cc1C 2322899769 JWIYVECTDSACBZ-UHFFFAOYSA-N 425.956 5.681 30 10 IKEE O=C(C=Cc1c(OCCc2ccccc2)ccc2ccccc12)c1cc(Cl)ccc1Cl 2322999363 PTZGSWFMUOTSHW-UHFFFAOYSA-N 447.361 7.664 30 10 IKEE CCOc1cc(C=NNc2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1Cl 2323069066 LNRNCWIMSINSMI-UHFFFAOYSA-N 445.346 6.426 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c3C)C2=O)cc1 2323149313 IDBJPBKZHDCCOQ-UHFFFAOYSA-N 429.428 5.301 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCc3c(Cl)cccc3Cl)c(Cl)c2)c(C)c1 2323854551 SEPJYRPOAACFHS-UHFFFAOYSA-N 445.773 7.739 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OC(=O)CCc3cccs3)cc(C)c2C1=O 2323983437 FCPAVIVPHTUMAD-UHFFFAOYSA-N 434.513 5.610 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OCc1cccc(C)c1 2324455932 WPRBARNHMSVEEO-UHFFFAOYSA-N 426.556 6.824 30 10 IKEE Cc1cc(OCCCOc2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1cccs1)O2 2324553371 KCZUYHJWEHSPHL-UHFFFAOYSA-N 426.921 6.174 30 10 IKEE COc1ccc(C#N)c(NC(=O)C=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c1 2325145439 ZQENWMIYOBGUKO-UHFFFAOYSA-N 448.906 5.460 30 10 IKEE Cc1c(OCc2c(Cl)ccc(Cl)c2Cl)ccc2c1OC(=Cc1ccncc1)C2=O 2325176879 ZUWQHOFXIIOGEH-UHFFFAOYSA-N 446.717 6.545 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OCCC(=O)Nc4ccc(C)cc4)c3C)C2=O)c1 2325226112 JZJFPRGVDJQDPO-UHFFFAOYSA-N 443.499 5.336 30 10 IKEE COc1ccc(C)cc1NC(=O)CCOc1ccc2c(c1)OC(=Cc1cccs1)C2=O 2325470992 IGOVXYLWCBLPDM-UHFFFAOYSA-N 435.501 5.089 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccccc2C)C3=O)cc1 2325616534 NOEADWLMLPMNLZ-SFHVURJKSA-N 441.527 6.142 30 10 IKEE O=C(C=Cc1cccc(OC(=O)[C@H]2C[C@H]2c2ccccc2Cl)c1)c1cccc([N+](=O)[O-])c1 2325690407 BDNZRYHIWMHPGW-VXKWHMMOSA-N 447.874 5.853 30 10 IKEE COc1cccc(COc2cc(C)c3c(c2)OC(=Cc2cccc(OC)c2OC)C3=O)c1 2325690799 BVMIGQJJPDUNSP-UHFFFAOYSA-N 432.472 5.216 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(F)c(F)c3F)c2)cc1 2325712453 PJDHZOOMPPIZPI-UHFFFAOYSA-N 438.445 6.562 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)c3ccc(OC(C)=O)cc3)c2)cc1C 2325771154 OMRCTUVGPHOYDN-UHFFFAOYSA-N 444.483 5.353 30 10 IKEE CCCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1ccc(Cl)cc1 2327026554 HYDLYWVSSCJOEU-UHFFFAOYSA-N 428.989 5.636 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1ccc(OC)cc1 2327191065 BKPRXTXCJSQUBS-UHFFFAOYSA-N 436.581 5.157 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc(F)cc1F 2328056464 ZVMJJMOBOSCLLV-UHFFFAOYSA-N 432.927 5.545 30 10 IKEE CCCSc1nnc(COc2c(C)cccc2C)n1N=Cc1ccc(C(C)(C)C)cc1 2328559903 JBVQDIHXGMSMFQ-UHFFFAOYSA-N 436.625 6.156 30 10 IKEE Cc1ccccc1CSc1nnc(CCCOc2ccccc2)n1N=Cc1ccccn1 2328718149 NBKAEPJLQTWFNN-UHFFFAOYSA-N 443.576 5.168 30 10 IKEE Cc1ccccc1CSc1nnc(CCOc2ccccc2)n1N=Cc1cccc(O)c1 2329159085 NACUNEYAPRTILU-UHFFFAOYSA-N 444.560 5.088 30 10 IKEE CCCSc1nnc(CCOc2ccccc2)n1N=Cc1c(Cl)cccc1Cl 2329208972 WRYUAICOJPZHDC-UHFFFAOYSA-N 435.380 5.591 30 10 IKEE COc1cccc(C=Nn2c(Cc3ccccc3F)nnc2SCc2ccccc2)c1 2329741351 NOWYNOYXUIRGBW-UHFFFAOYSA-N 432.524 5.191 30 10 IKEE Fc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2N=Cc2ccco2)cc1 2329865814 XBUOFMIQIXTLQC-UHFFFAOYSA-N 426.904 5.429 30 10 IKEE C=C(C)CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1ccc(Br)cc1 2330102029 YDBIBBQRXYPMMV-MRXNPFEDSA-N 441.398 5.743 30 10 IKEE Oc1ccc(C=Nn2c(Cc3cccs3)nnc2SCc2ccc(Cl)cc2)cc1 2330422787 AHZWPEHOJBPESC-UHFFFAOYSA-N 440.981 5.464 30 10 IKEE C[C@H](C(=O)Oc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-])c1ccccc1 2330632844 ZZWUKSBOQVUUIG-INIZCTEOSA-N 446.415 5.108 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2sccc2C)c1 2330642691 GVYNNSOTTQIXEI-UHFFFAOYSA-N 447.589 5.236 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(OC)c2)ccc1OC(=O)CCCSC 2330731501 SNXVDCKUZAYIKD-UHFFFAOYSA-N 444.549 5.047 30 10 IKEE Cc1cccc(C=Nn2c(CC(C)(C)C)nnc2SCC(=O)Nc2cc(C)ccc2C)c1 2330819321 NQKGJSDXCQBGLZ-UHFFFAOYSA-N 449.624 5.405 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2F)cc1)c1cccc(Br)c1 2330994261 CGTLLUPHGCPKSM-UHFFFAOYSA-N 425.253 5.704 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OC(=O)c1ccc2c(c1)OCO2 2331159668 ZPAUXXSMCVBXNK-UHFFFAOYSA-N 436.847 5.193 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)ccc1F 2331331981 QFXYTOBYOLPTTL-UHFFFAOYSA-N 443.301 6.485 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)c1cccc(C)c1 2331403779 IYZPWYMZXPBFCJ-UHFFFAOYSA-N 444.483 5.280 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2Cl)CC1 2331522937 PJSJLRAMKJQCIS-UHFFFAOYSA-N 442.958 7.277 30 10 IKEE CCOc1cc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CCC2)ccc1O 2331539968 KKJTZQXLDKNXAI-UHFFFAOYSA-N 442.972 5.478 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)C(C)C)c(Br)c2)c(C)c1C 2331615322 KOHPEPBVSLRZLX-UHFFFAOYSA-N 431.326 5.532 30 10 IKEE Fc1ccc(CSc2nnc(C3CC3)n2N=Cc2cc(Br)ccc2F)cc1 2331726653 PXSFULWQMDHWBZ-UHFFFAOYSA-N 449.324 5.371 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)ccc1OC(=O)CCCSC 2331761601 KCLUVKAGPLNWGM-UHFFFAOYSA-N 448.968 5.610 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(Nc2ccc(Br)cc2)[C@H]1C(F)(F)F 2370262827 ZIYJUNSPJLOJJS-YOEHRIQHSA-N 448.283 5.085 30 10 IKEE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccn1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 18199860 FWIDXZPEWAYOTL-CRICUBBOSA-N 438.556 5.595 30 10 IKEE COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2Cl)c1 21225532 HQPKDKDYCKZSFB-QUGAMOGWSA-N 430.935 6.328 30 10 IKEE Cc1ccc(/N=C2/S/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(C)cc2)cc1 33376357 LVRAFANJAQSBKR-UQRBVYKBSA-N 429.501 6.020 30 10 IKEE O=C(/C=C/c1c(F)cccc1Cl)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 34954039 NFEZUKMNAVTWPH-OUKQBFOZSA-N 425.799 5.503 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)/C=C/c3ccccc3)c(OC)c2)c(OC)c1 34955177 MNSCIUQKCIEYPT-LQROKNPQSA-N 444.483 5.227 30 10 IKEE Cn1cc(/C=C2\S/C(=N/c3cccnc3Cl)N(c3ccccc3)C2=O)c2ccccc21 39864030 BHNLZWSXXPIZOG-WSUVFPRVSA-N 444.947 6.035 30 10 IKEE Cc1ccc(NC(=O)c2cnn3c2NC2=C(C(=O)CC(C)(C)C2)[C@@H]3c2ccccc2)cc1C 64874269 MRFWWEHVTHVRCV-DEOSSOPVSA-N 440.547 5.410 30 10 IKEE CCCCCC(=O)/C=C\[C@@H]1[C@H](OC(=O)c2ccc(-c3ccccc3)cc2)C[C@@H]2OC(=O)C[C@@H]21 95630334 KVAPQSSLLZXBHI-KWMJRAJISA-N 446.543 5.536 30 10 IKEE Cc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2c1/C(=N\Nc1ccccc1)CC(C)(C)C2 101109026 UIZYBJZGFMTSTH-DIBXZPPDSA-N 432.480 5.537 30 10 IKEE COc1ccc(/C=C2/Oc3cc(OC/C=C\c4ccccc4)ccc3C2=O)c(OC)c1OC 103023765 NIFKPOIFZVZXBG-FMHOURDRSA-N 444.483 5.421 30 10 IKEE O=C(Nc1cccc(C#Cc2ccccn2)c1)C1(c2ccc(Br)cc2)CCC1 105743831 KDXHMZJDTXOJMC-UHFFFAOYSA-N 431.333 5.304 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccc(O)cc2)c1 169958936 QPKLFKLYCWTCDR-AREMUKBSSA-N 449.506 5.945 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2CCC)cc1 169975993 UIMAXWZPFUFTAH-DEOSSOPVSA-N 435.564 5.806 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(Cl)ccc2O)[C@@H]1c1cccs1)c1cccc(Cl)c1 169987364 KISFGXQCMPDSEX-GOSISDBHSA-N 446.311 5.543 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc(Cl)cc1)c1c[nH]c2ccccc12 170057313 OBUCMMXBGIRNFT-JOCHJYFZSA-N 446.865 5.743 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(Cl)cc2)s1 170057657 NTPAKWNPAPVAHS-SFHVURJKSA-N 442.899 5.335 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2ccccc2C)cc1 170086166 KYUUFWWKNWFPKS-XMMPIXPASA-N 427.500 5.349 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2c2ccccc2C)c1 170142953 KLWOMTGMJIMQIH-RUZDIDTESA-N 439.511 5.411 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(Cl)c3)[C@H]2c2cccs2)cc1 170159635 DBAZBMDTRDKISF-LJQANCHMSA-N 444.339 6.146 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccs2)c1 170163737 OXPFJCHKMRKCCG-FQEVSTJZSA-N 445.968 5.711 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1cccnc1)c1ccc(Cl)c(Cl)c1 170188184 VAVAWNHQQNFAEG-IBGZPJMESA-N 425.271 5.171 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(Cl)c3)[C@@H]2c2ccccc2)c1 170224067 RKSKYLDBESUVPO-NRFANRHFSA-N 438.310 6.085 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1)c1c[nH]c2ccccc12 170238449 AOOOEEWQUKSSLH-QFIPXVFZSA-N 430.410 5.229 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(F)cc2)cc1C 170239954 WWGQOSJPKJYFBM-DEOSSOPVSA-N 445.490 5.624 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(F)cc2)ccc1Cl 170244067 DAVTYRZMFVHFDI-NRFANRHFSA-N 443.902 5.399 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccc(C(C)C)cc1 170245581 RVSHRHWUERLJHC-DEOSSOPVSA-N 435.564 5.833 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccco2)ccc1Cl 170282530 XNESUCRPRMZIIR-NRFANRHFSA-N 437.879 5.341 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccco2)cc1Cl 170285930 UAGFLPFQRPWTLO-NRFANRHFSA-N 437.879 5.341 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@H]1c1ccco1 170294760 MNFNUPNTVYEORR-GOSISDBHSA-N 432.314 5.119 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccc(C)o2)cc1 170300412 NQRCAALBCIPBBO-QHCPKHFHSA-N 431.488 5.468 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccc(C)o2)cc1OC 170302029 DMBVAMXDHVUBDO-QHCPKHFHSA-N 447.487 5.005 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccc(C)o2)cc1C(C)C 170305489 UGHLFUMHKNDVIA-XMMPIXPASA-N 445.515 5.811 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1sccc1C 170319357 ROEUDZLZNPLMAQ-KRWDZBQOSA-N 438.376 6.132 30 10 IKEE COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccccc2)cc(Cl)c1O 170366469 OCVNJXGEBXKYAA-NRFANRHFSA-N 449.890 5.146 30 10 IKEE Cc1cc(OCC(=O)[C@H](C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc(C)c1Cl 197610272 OUWCWPYLELXRJH-KRWDZBQOSA-N 441.896 5.244 30 10 IKEE COc1cc(/C=C\C(=O)N[C@@H](c2ccc(Cl)cc2)c2ccsc2)ccc1OCC#N 213986911 WCLJNGHETJPSOT-NKXUJONQSA-N 438.936 5.231 30 10 IKEE O=C(CSc1nc2ccc(N=Cc3ccccc3O)cc2s1)NCCc1ccccc1 252630458 VABQBJFUZNLOKJ-UHFFFAOYSA-N 447.585 5.204 30 10 IKEE CCC(C)(C)[C@@H]1CCc2sc3ncnc(NN=Cc4c(Cl)cccc4Cl)c3c2C1 253810837 ZMUWKRLESJFUPP-CYBMUJFWSA-N 447.435 6.985 30 10 IKEE COc1ccc(C(C)=NOC(=O)c2ccc(Cl)cc2)cc1CSc1ccccn1 254701585 RGRJCBQKWVZGGI-UHFFFAOYSA-N 426.925 5.617 30 10 IKEE C=CCN(C[C@@H](NCCC)c1c(F)ccc(F)c1Br)C(=O)OC(C)(C)C 407135648 ZZIINXFIPNJSDW-OAHLLOKOSA-N 433.337 5.191 30 10 IKEE COc1ccc([C@H]2C(c3cccc4ccccc34)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526522099 PAEYTAYEHISQPN-SANMLTNESA-N 432.479 5.777 30 10 IKEE CCOc1c(Cl)cc(/C=N\n2c(C)nnc2SCc2ccc(F)cc2)cc1Cl 526801569 VXAOEDQVXMIWLA-RMORIDSASA-N 439.343 5.606 30 10 IKEE O=[N+]([O-])c1cccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccccc2F)c1 526803667 GLPBERAQDKHFOG-MYYYXRDXSA-N 447.495 5.091 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccccc1Cl 526821783 KPFQUKDBNKXTNM-QQXSKIMKSA-N 434.996 6.602 30 10 IKEE COc1ccccc1N(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586242907 GFFJSBBNKMZEKO-UHFFFAOYSA-N 447.343 5.269 30 10 IKEE CCCCCCCCCCSc1ccccc1OC(=O)Cn1cnc2cncnc21 642775641 FDOFZZWTICCQHT-UHFFFAOYSA-N 426.586 5.665 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1ccsc1Cl 698392495 QPTLKHXQXRULCI-CQSZACIVSA-N 427.751 6.170 30 10 IKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(Br)c2c(c1)OCCCO2 698470727 VEBUTECPXGOXBW-CJNGLKHVSA-N 439.350 5.211 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)C1 698882094 BIXXEWGSPVCQFY-MWTRTKDXSA-N 449.979 5.621 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@](C)(C#N)Cc1cccc(F)c1 710710402 WAQRMGQYQHQISG-NRFANRHFSA-N 433.321 5.855 30 10 IKEE COC(=O)c1ccc(N=C2S/C(=C/c3cc(C)n(-c4ccccc4)c3C)C(=O)N2C)cc1 725400629 SODXTSLUZWUPGV-XKEFNESHSA-N 445.544 5.115 30 10 IKEE O=C(/C=C\c1ccc(Oc2cccc([N+](=O)[O-])c2)cc1)c1ccc(C(F)(F)F)nc1O 752238896 ZEVBCQYKQAVWNY-POHAHGRESA-N 430.338 5.403 30 10 IKEE COc1ccc(/C=C\C(=O)[C@@H]2CC[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]23C)cc1 1088741843 PEGAPZRVEJMUDP-QOMSYGEFSA-N 434.620 6.217 30 10 IKEE CN1C(=O)/C(=C/c2ccc(-c3c(Cl)cccc3Cl)o2)SC1=Nc1nccs1 1772737551 PEFPPLIRZQMKOQ-AIPGXAOUSA-N 436.345 5.944 30 10 IKEE CCn1c2ccccc2c2nnc(NN=Cc3ccc(OCc4ccc(C)cc4)cc3)nc21 1772765053 QFYKEXDAGNITOX-UHFFFAOYSA-N 436.519 5.333 30 10 IKEE CO/N=C1\C[C@@H]2[C@H](CC[C@@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CCCC(C)C)[C@@]2(C)CC[C@H](O)C[C@@H]12 1848439897 UGTRJIWOVLGRJU-PSIGROLCSA-N 431.705 7.081 30 10 IKEE CCCCCCCCCCNC(=O)c1c(C)c(CC)nc2c(Br)cccc12 1859577710 KPWYILXUCLPLMP-UHFFFAOYSA-N 433.434 6.739 30 10 IKEE N#Cc1c(NC(=O)c2ccc3oc(-c4cccc(Cl)c4)nc3c2)sc2c1CCCC2 1859742808 DJVRDTICONGIMM-UHFFFAOYSA-N 433.920 6.212 30 10 IKEE CCCCCCCCCOc1ccc(NC(=O)Cc2ccc(Br)cc2)cc1 1860157476 KAAIQSTWIVFPDR-UHFFFAOYSA-N 432.402 6.760 30 10 IKEE COc1ccc(OC)c(/C=C/C(=O)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1 1860727856 JLRHRKCZDQEVTP-DHZHZOJOSA-N 437.879 5.371 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)c1cccc(OCC(C)C)c1 1861757159 BCHUMCCGNIGRNA-DEOSSOPVSA-N 432.649 5.877 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(Cl)cc2Cl)n(Cc2ccc(C)cc2)n1 1862331823 OBUITJQPHVXEGK-UHFFFAOYSA-N 440.374 6.028 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccccc1[N+](=O)[O-] 1862383451 KHYMPWGANLZWGW-SFHVURJKSA-N 449.290 5.136 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2ccc(C(C)C)cc2)cc1 1862395574 SVFJRMRJTMIOKR-DEOSSOPVSA-N 435.564 5.113 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1C 1862397901 MYMCKYIGIBQVRU-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1cccc(OC)c1 1862402441 YOLFWIAELSEXHN-QHCPKHFHSA-N 437.536 5.171 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1cccc(O)c1 1862412098 WPUNZQVRMNXJQB-VGOFRKELSA-N 443.490 5.608 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2cccc(C)c2)c1 1862445584 ZGTMISGPGWYECP-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2C2CCCCC2)cc1 1862456656 XBDDXNGCBADLNH-NRFANRHFSA-N 429.438 5.323 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2[C@H](C)CC)cc1 1862461361 CVKCGLFQLKRJDB-LRTDBIEQSA-N 447.453 5.270 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccccc1C 1862490526 XSAZGFFKWAYIHQ-PXDATVDWSA-N 433.592 6.549 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc(Cl)cc2)cc1 1862516798 XTQOXGRCPKEIOP-NRFANRHFSA-N 427.928 5.363 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 1862531343 LSEVHPZCWXMKCD-LADGPHEKSA-N 447.575 5.304 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(C(=O)O)cc1 1862583112 SXKVEBHGFSCGSC-VOJFVSQTSA-N 448.302 5.068 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(F)cc1F 1862614252 BDLJGBCGOMMMDT-NRFANRHFSA-N 427.491 5.497 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCC(C)C)cc1 1862717758 LJSMSGADXGRKET-RUZDIDTESA-N 443.543 5.863 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccccc3C(C)(C)C)C2=O)cc1C 1862885755 FHKDCOLRYIJRET-UHFFFAOYSA-N 449.554 5.869 30 10 IKEE Cc1cccc(NC2=C(c3ccc(Cl)c(Cl)c3)C(=O)N(c3ccccc3C#N)C2=O)c1 1862915100 QBYSWYNMJPCNFI-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2)=C(c2cc(Cl)ccc2Cl)C1=O 1863383535 BFEBWKZVYABDQZ-UHFFFAOYSA-N 445.390 6.546 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc3c[nH]nc3c2)=C(c2ccccc2OC)C1=O 1863424844 BJAPQTCIFNVGHQ-UHFFFAOYSA-N 446.551 5.124 30 10 IKEE C[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(C#N)c1)c1ccc(Cl)cc1 1866717118 VMYLKEASKUYYGG-KOSHJBKYSA-N 445.950 5.071 30 10 IKEE CC(C)(C)c1nc(Nc2cccc(C#N)c2)cc(N2CCC(N3CCCCCC3)CC2)n1 1868333481 KZLRSUDBXMYCMJ-UHFFFAOYSA-N 432.616 5.234 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC(Oc3cccc(Cl)c3)CC2)nc(C(C)C)n1 1869092361 QHBAGUJGJUMSCJ-UHFFFAOYSA-N 426.992 5.480 30 10 IKEE C=CCOc1cn(Cc2ccc(OC)cc2)c(CSc2ccc(Cl)cc2)cc1=O 1870246227 UGGGFWPSPKHMIX-UHFFFAOYSA-N 427.953 5.416 30 10 IKEE CCCCCCCCn1cc(OCCC(=O)OCC)c(=O)cc1CN1C[C@H](C)C[C@@H](C)C1 1870452830 SHSFEZRUQMXWRG-FGZHOGPDSA-N 448.648 5.019 30 10 IKEE CCCCCCCOc1cn(CC)c(CNc2cccc(OCc3ccccc3)c2)cc1=O 1870836217 PRCCBGLLYADURK-UHFFFAOYSA-N 448.607 6.409 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3c(ccc4c3CN(CCOc3ccccc3)CO4)C2=O)cc1 1871346401 DNVXMFWSWKURLE-QQXSKIMKSA-N 441.527 5.657 30 10 IKEE CCCCOCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(F)cc1)C3=O 1871350672 PAGYKBUBCZJKIR-HMAPJEAMSA-N 425.500 5.109 30 10 IKEE CCCCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(Cl)c(Cl)c1)C3=O 1871351916 HELVVOPUZZYHAS-MTJSOVHGSA-N 446.374 6.650 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(OC)cc2)C3=O)cc1 1871386718 JPGOMKKLZIDOPW-UCQKPKSFSA-N 430.456 5.238 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O)c1ccc(OCc2ccccc2)cc1 1871388952 QNDGMCAPKNPOLO-MYYYXRDXSA-N 438.435 5.694 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(OC(=O)C(C)C)cc4)cc(C)c3C2=O)o1 1871391036 QCKOCBBUKJJKJF-UUYOSTAYSA-N 446.455 5.293 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc(OCCCOc4ccccc4)c3C)C2=O)cc1 1871398318 OHTFCEJQGPGDGE-BWAHOGKJSA-N 430.500 5.858 30 10 IKEE Cc1ccc(OCCCCOc2ccc3c(c2C)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871404323 IFEPNUPGIDOZLC-UQQQWYQISA-N 432.491 6.297 30 10 IKEE CCOC(COc1ccc2c(c1C)O/C(=C\c1ccc(N(CC)CC)cc1)C2=O)OCC 1871416052 IRLNAGOYNNMFJI-KQWNVCNZSA-N 439.552 5.235 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCc4cccc(Oc5ccccc5)c4)c3C)C2=O)o1 1871436862 TYAKYNKOHISEME-QQXSKIMKSA-N 438.479 6.884 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(C(C)C)cc1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1871852522 UKPIVLYGEVXGFJ-GBXCKJPGSA-N 442.625 5.349 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 1871992303 GHSXTPJTKDXXBB-QFIPXVFZSA-N 449.016 5.331 30 10 IKEE C=CCN([C@H](C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)[C@H](C)CC)S(=O)(=O)CCC 1872338117 HWASUFXXGWWWMG-XXBNENTESA-N 436.662 5.514 30 10 IKEE Cc1sc(C2=C(N)N(c3ccccc3Oc3ccccc3)CC2=O)nc1-c1ccccc1 1872724847 VFYFUUNWRFGYHV-UHFFFAOYSA-N 439.540 5.627 30 10 IKEE CCCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(F)cc3)cs2)cc1OCC 1872776084 HTVHGZKYJBGMRP-LJQANCHMSA-N 438.524 6.017 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 1872785629 RMRPCQMPQSSZIJ-LJQANCHMSA-N 433.533 6.123 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@H](C#N)C(=O)CCCOc2ccc(C)cc2)n1 1872788491 JJDSBFAPJNRJTJ-LJQANCHMSA-N 440.952 5.816 30 10 IKEE Cc1ccc(CCNC(=O)c2ccc(CSc3nc(C)c(C)c(C)c3C#N)cc2)cc1 1872895081 BJPZIKMCCLSGJZ-UHFFFAOYSA-N 429.589 5.452 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(CC)cc2)cc2c(NCc3ccccc3Cl)ncnc21 1873605524 FWPWQSBULVZVDT-UHFFFAOYSA-N 445.954 5.698 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(Oc3ccccc3)cc1)n2C 1873656271 WFWPQMOWSNQERQ-UHFFFAOYSA-N 439.519 5.191 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccc(F)c(Cl)c3)c(=O)oc2c1C 1873909098 AWZMSJZHBXDPDL-UHFFFAOYSA-N 429.875 5.338 30 10 IKEE CCCOc1ccc(/C=N/n2c(COc3ccc(Cl)c(C)c3)nnc2SCC)cc1 1874230663 VRIZUEXIVUJPMI-ZVHZXABRSA-N 444.988 5.602 30 10 IKEE CCCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc(C(=O)O)cc1 1874232325 JNYGCYNFISOWQO-YZSQISJMSA-N 444.560 5.299 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2Cl)n1/N=C/c1cccc(OCC)c1 1874266722 LIIRYCHVTXYQAC-ZMOGYAJESA-N 442.972 5.460 30 10 IKEE CCCSc1nnc(Cc2ccc(OC)cc2)n1/N=C/c1ccc(N(CC)CC)cc1 1874351699 FGJBDAKIUHFKMK-XIEYBQDHSA-N 437.613 5.108 30 10 IKEE C=C(C)CSc1nnc(COCc2ccccc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874353516 NKPFWZSJHLGBGF-RPPGKUMJSA-N 446.498 5.564 30 10 IKEE COc1cccc(/C=N/n2c(CCc3cccs3)nnc2SCCc2ccccc2)c1 1874371237 PLQJSPPDJGIGMW-XIEYBQDHSA-N 448.617 5.350 30 10 IKEE COc1ccccc1/C=N/n1c(Cc2ccc(C)cc2)nnc1SCc1cccc(F)c1 1874387802 GDWGMGIXBUWOHA-JVWAILMASA-N 446.551 5.500 30 10 IKEE C=CCSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1cc(Br)ccc1F 1874390044 RPZIGIXFHXWZBM-YDZHTSKRSA-N 445.361 5.239 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCCc2ccccc2)n1/N=C/c1ccccc1O 1874399909 FYYYRNQAXQVILJ-YRDQYSPCSA-N 428.561 5.353 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCCc2ccccc2)n1/N=C/c1cccc(O)c1 1874400095 IQSSMPQIZLZBGF-YRDQYSPCSA-N 428.561 5.353 30 10 IKEE O=[N+]([O-])c1ccccc1/C=N/n1c(CC2CCCCC2)nnc1SCc1ccccc1 1874407539 BZOBTEYMUYTTRO-LFVJCYFKSA-N 435.553 5.484 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccccc2)n1/N=C/c1cccc(Cl)c1 1874416239 GMDDSRUUWLXLBY-WGOQTCKBSA-N 432.980 6.005 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2cccs2)c1C 1874452295 ODOPQAXDOQTXJJ-YDZHTSKRSA-N 439.610 5.227 30 10 IKEE Cc1ccsc1/C=N/n1c(SCC(=O)Nc2ccccc2F)nnc1C1CCCC1 1874452486 XUPWSBFEAQMDMD-FSJBWODESA-N 443.573 5.058 30 10 IKEE CCCc1nnc(SCCc2ccccc2)n1/N=C/c1ccc(Br)cc1 1874508209 RLKRQYLGEUQSOL-PXLXIMEGSA-N 429.387 5.210 30 10 IKEE CCOc1c(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc(Br)cc1OC 1874584699 BBTFNKAMELTBRY-CSKARUKUSA-N 447.369 6.059 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OCC(=O)N[C@H](C)c2ccccc2)c1 1874596917 KAHYPZJLKAQANZ-FBRRREGBSA-N 429.516 5.156 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OCC(=O)Nc1ccc(C)cc1 1874613612 DHZMNKQYIVSRCH-DTQAZKPQSA-N 441.527 5.646 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3cccc4ccccc34)cc2)c(C)c1 1874623443 CXRQYRCBLCUSTF-GHRIWEEISA-N 435.523 6.370 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3nc(O)c4ccccc4n3)cc2)c(C)c1C 1874627984 HAZIUUORJUQDME-GXDHUFHOSA-N 440.499 5.436 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cc(OCC)c(OCC)c([N+](=O)[O-])c2)c1 1874630023 GQCTZSBSNFTPFR-PKNBQFBNSA-N 429.469 5.086 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1C 1874633023 IJDLFMAQXVTELK-NYYWCZLTSA-N 448.450 5.264 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(C(F)(F)F)cc3)c2)cc1 1874697659 JOKIHHZZULXZDZ-LHHJGKSTSA-N 426.390 5.829 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1OC(=O)CSc1ccccc1 1874704446 PGSQMLGOSHXLQU-ZRDIBKRKSA-N 448.540 5.606 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccccc3)c2)c(OCC)c1 1874714534 AOVJOJJFLLLZOX-DTQAZKPQSA-N 430.500 5.528 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)c(F)c2F)cc1)c1ccc2ccccc2c1 1875094919 PIRRFAMLAJINBE-VGOFMYFVSA-N 432.397 6.372 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1ccccc1F 1875095904 NIHQEWAFFCBCGQ-RVDMUPIBSA-N 440.470 6.493 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C2CC2)c(Br)c1)c1ccc(Cl)cc1Cl 1875104512 AXCXZDSLHIJKTN-LREOWRDNSA-N 440.120 5.967 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Br)c1OC(=O)C1CC1 1875124436 KUFHWACFJQUHHE-VMPITWQZSA-N 435.701 5.323 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Br)c1OC(=O)CCCSC 1875128595 LBKHVBYSEHFSJU-ZHACJKMWSA-N 449.366 5.402 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)COc1ccc(C)c(C)c1 1875134474 TZSPNAVATNNHIN-XYOKQWHBSA-N 444.527 5.809 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)COc3cc(C)c(Cl)c(C)c3)cc2)c1 1875137929 KIWCYEHTDNDCTJ-FMIVXFBMSA-N 448.946 6.454 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2ccc(C)cc2)c([N+](=O)[O-])c1 1875143150 LCWMGGRDZDYGLN-PKNBQFBNSA-N 445.471 5.264 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1ccccc1Cl 1875156716 KSADMZKQRCWAQW-OQLLNIDSSA-N 448.946 6.977 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3F)cc2)cc1Cl 1875185408 BRUSNHGTYMVXKJ-DHZHZOJOSA-N 445.273 6.256 30 10 IKEE C=C(Cl)CSC(C)(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1883383020 DMSSUJDEJSNQPS-HXUWFJFHSA-N 445.968 5.243 30 10 IKEE Cc1cccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)c1Br 1927301115 CVUSWDBTASBRKK-QGZVFWFLSA-N 435.749 6.417 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1944736972 SOMIGEMJQRJLIA-RBUKOAKNSA-N 449.979 5.763 30 10 IKEE CCCCCCCCC[C@@H](NCC)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1946523801 QVTYWNZEPADIDB-RPWUZVMVSA-N 434.665 6.215 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@]1(C#N)CCCN(Cc2ccccc2)CC1 1997810938 APAQKQBEGWPIQC-RUZDIDTESA-N 439.987 6.030 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C(C)(C)C1 2013254483 YLEVLUMIMGFLLD-HSZRJFAPSA-N 449.617 5.415 30 10 IKEE Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)C=Cc3ccc(C(C)(C)C)cc3)cc2)cc1 2040459476 UPOMMTKKTGMQLV-UHFFFAOYSA-N 433.573 5.989 30 10 IKEE COc1cc(OC)cc(-c2cc(C=Cc3ccccc3)c(C#N)c3nc4ccccc4n23)c1 2040461154 BFCDVIXKIYVOAA-UHFFFAOYSA-N 431.495 6.214 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(Cc2ccccc2)C2(CC2)C1 2042188389 HABFFMXUQSSTDE-HHHXNRCGSA-N 431.580 5.828 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1(C)C 2053051433 OXMZVQJTIIBOSC-BVZFJXPGSA-N 449.636 5.779 30 10 IKEE CCC(=O)/C=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 2060406052 BDFSPURYMWMNRS-GQCTYLIASA-N 444.152 6.336 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)C1(C#N)CC2(C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)C1 2065408912 PIFARXMLCLCDSX-VINFYQEGSA-N 447.620 5.484 30 10 IKEE CC[C@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(OC)c1 2067965182 XNHWZXJRBPLAQE-DVECYGJZSA-N 445.560 5.118 30 10 IKEE CCc1ccc([C@@H](C2CCC2)n2nc(C(F)(F)F)c(/C=N/O)c2Br)cc1 2079138480 WRYBZFINDXKHBK-GQLBNTDBSA-N 430.268 5.424 30 10 IKEE CC(C)(C)OC(=O)c1nn(Cc2ccc(C(F)(F)F)c(F)c2)c(C(F)(F)F)c1Cl 2079177767 SUBCDIHVNDNZNI-UHFFFAOYSA-N 446.750 5.717 30 10 IKEE Cc1cc(C)c([C@@H](C2CCC2)n2nc(C3(C)CC3)c(C=NO)c2Br)c(C)c1 2080052812 DBOWFHIIDQZCDL-LJQANCHMSA-N 430.390 5.820 30 10 IKEE C[C@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)(F)F)c(C#N)c1Br 2080056520 UUUZWCYKLZAWBP-ZCFIWIBFSA-N 430.121 5.303 30 10 IKEE N#C[C@@H](C(=O)CSc1ccccc1)c1nc(-c2ccccc2)c(-c2ccccc2)s1 2084273031 OIQNUEKECGDVOF-NRFANRHFSA-N 426.566 6.446 30 10 IKEE CCCCCCCCCCCCCCCCCN(C)c1cc(C#N)c(C#N)cc1[N+](=O)[O-] 2087939082 XUCKYUVDOSFKFH-UHFFFAOYSA-N 440.632 7.646 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1ccc(O)cc1Cl 2096990232 RCERPWLNLXFSQG-QGZVFWFLSA-N 437.721 5.814 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NC)c1ccc(-c2ccc(Br)cc2)s1 2107921799 GXKQGOFAYVHEFR-JOCHJYFZSA-N 428.395 6.211 30 10 IKEE COc1ccc(C)c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)c1 2145975367 HOWHAPLYCGVCMK-LJQANCHMSA-N 431.330 5.773 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CC[C@H](Nc3cc(Br)ccc3C#N)C2)CC1 2155285322 XZYJCESBWHUTMZ-KRWDZBQOSA-N 434.378 5.302 30 10 IKEE CCCCN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cc(Br)ccc1C#N 2174815831 XQVDBJBQDRYSTK-SFHVURJKSA-N 436.394 5.327 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@](Nc3cc(Br)cc(F)c3C#N)(C2)C1 2203521467 PXLUZRFXWUOAKI-RNODOKPDSA-N 438.341 5.051 30 10 IKEE CCN[C@H](C#Cc1cccc(Cl)c1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2216973818 QGAXHSQLQPYVON-DEOSSOPVSA-N 441.015 5.887 30 10 IKEE CN[C@H](C#CC(C)(C)C)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2225474847 RSPGOXCKEBIGDU-NAKRPHOHSA-N 443.587 5.516 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)[C@H](C)CN(CC)C(=O)OC(C)(C)C 2235730408 OPUOFDWNKXSMAW-XLIONFOSSA-N 437.422 5.062 30 10 IKEE C=CC[C@@H](C)[C@@H](NCCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237415571 YXVCNNLPLGBCMT-NSISKUIASA-N 439.438 5.465 30 10 IKEE CCCCCC#CCC(=O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237430892 BDAJXVCRPOYULG-IBGZPJMESA-N 436.390 5.428 30 10 IKEE CCCCCCCCCC(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248507102 JFGRVWWMRHHYRW-UHFFFAOYSA-N 431.617 6.150 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCC(=O)O)c1ccc(Br)c(Cl)c1 2261821501 VCQUMUNLTHJXAH-LJQANCHMSA-N 425.706 5.018 30 10 IKEE C=C[C@]1(Oc2nc3ccc(Br)cc3s2)CCCN(C(=O)OC(C)(C)C)C1 2278962077 SKIBHIHVZHCKQF-IBGZPJMESA-N 439.375 5.393 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc2c(c1)N(c1c(Br)cccc1C#N)CCC2 2285217831 ZSJWYSDGNZSUKZ-UHFFFAOYSA-N 428.330 5.752 30 10 IKEE COC(=O)c1ccccc1-c1ccc(C=C2SC(=Nc3ccccc3Cl)NC2=O)o1 2293594350 YFUKDNFDIIYZKM-UHFFFAOYSA-N 438.892 5.278 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(Br)c(C#N)c2)C[C@@H]1C(F)(F)F 2294644222 ZKYMQYYKLYSEBN-UKRRQHHQSA-N 448.283 5.063 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C 2296298559 LLFAZQBLMMGESA-MOPGFXCFSA-N 437.422 5.108 30 10 IKEE COC(=O)c1ccc(COc2ccc3c(c2)OC(=CC=Cc2ccccc2OC)C3=O)cc1 2296867873 CMKMKZRPKTWFRS-UHFFFAOYSA-N 442.467 5.233 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccc(NC(=O)c2ccc(C)cc2)cc1 2297449555 GCFVKOAPCXXDLM-UHFFFAOYSA-N 440.326 6.459 30 10 IKEE C=C(CC=C(C)CCC=C(C)C)C(=O)C[C@@H]1c2c(cc3c(c2OC)OCO3)CCN1C 2297596404 XHSRFCRGSWRBSP-OAQYLSRUSA-N 425.569 5.551 30 10 IKEE CN=C1SC(=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)C(=O)N1C 2313556373 XKZKQIVNMJCGHJ-UHFFFAOYSA-N 437.348 5.113 30 10 IKEE C=CCC(CC=C)[C@@H](NC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2316740293 AEJUYDHFRCXNAX-GDLZYMKVSA-N 427.588 6.874 30 10 IKEE Cc1cc(OCc2c(F)cccc2Cl)cc2c1C(=O)C(=Cc1ccc(C(C)C)cc1)O2 2321805116 CWNKKZIMYVEGTH-UHFFFAOYSA-N 436.910 7.106 30 10 IKEE COc1cccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2cccs2)C4)c1OC 2321967136 IZSLPLMGKNATFT-UHFFFAOYSA-N 449.528 5.042 30 10 IKEE CCOc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(Cc1ccccc1)C3 2321981822 XSJAKDWITBLTOL-UHFFFAOYSA-N 427.500 5.362 30 10 IKEE CCCCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1cn(C)c2ccccc12)C3=O 2322083249 SGOIUSGODUGTEG-UHFFFAOYSA-N 430.548 5.835 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1COc2ccc3c(c2C1)OC(=Cc1ccccc1OC(F)F)C3=O 2322146154 JPBYBADBXKZIGJ-BEFAXECRSA-N 441.474 5.635 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(C(C)C)cc1)O3)CN([C@@H]1CCCC[C@H]1C)CO2 2322153292 XNGDXWUEBJXMMV-WZONZLPQSA-N 431.576 6.465 30 10 IKEE COc1cccc(C=CC(=O)c2ccccc2Cl)c1OCC(=O)Nc1ccc(C)c(C)c1 2322437183 HIXDWLWRFJUFDM-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)c(OC)c1 2322904409 FZACAINLRKZXAH-UHFFFAOYSA-N 442.486 6.471 30 10 IKEE COc1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2)C3=O)cc1OC 2323069172 NTFGYMFFMUBJLL-UHFFFAOYSA-N 442.467 5.247 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2)c(Br)c1OCc1cccc(C)c1 2323127319 QCRHTYKXTLXIIK-UHFFFAOYSA-N 437.333 6.241 30 10 IKEE CCc1ccccc1NC(=O)COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC 2323153434 QOSXFMMBQQUCPS-UHFFFAOYSA-N 429.516 5.480 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3c(C)cccc3C)c2)cc1 2323157697 GRYZHCUSRQZACZ-UHFFFAOYSA-N 443.543 6.006 30 10 IKEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C2(CCCC2)C1 2323304047 DWJSJOMFDDEHDA-AREMUKBSSA-N 442.600 5.232 30 10 IKEE CC(C)COc1c(Cl)cc(C=Nn2c(S)nnc2Cc2ccccc2)cc1Cl 2323511780 OSJXVKMFSFDLFH-UHFFFAOYSA-N 435.380 5.381 30 10 IKEE Cc1cc(OC(=O)c2cc3ccccc3oc2=O)cc2c1C(=O)C(=Cc1ccccc1F)O2 2323562418 KAMULBPLNUXBQH-UHFFFAOYSA-N 442.398 5.076 30 10 IKEE Cc1cc(OC(=O)C=Cc2ccccc2)cc2c1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)O2 2323745296 SECQDFJGPLPHIE-UHFFFAOYSA-N 427.412 5.138 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Cl)c1OCc1ccc(F)cc1 2323767270 VLXJJKHHLDESEP-UHFFFAOYSA-N 445.317 7.006 30 10 IKEE Cc1sc(NN=Cc2ccc(OCCCc3ccccc3)cc2)nc1-c1ccccc1 2323865777 BANICKYKLUHEHP-UHFFFAOYSA-N 427.573 6.576 30 10 IKEE C[C@@H]1C[C@@H](C)CN(Cc2c(O)ccc3c2OC(=Cc2ccccc2Br)C3=O)C1 2324054870 ABRQEYRUUAWLEP-HUUCEWRRSA-N 442.353 5.249 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1F 2324123893 BXNQSWWXZQATBE-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1Cl 2324158665 NQFSEFUFBIGMNS-UHFFFAOYSA-N 441.999 6.387 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C 2324194718 PHAYYGAJPCDJNT-UHFFFAOYSA-N 447.506 5.755 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1sccc1C)C2=O 2324339337 QRXMXAHCRSXYLJ-QGZVFWFLSA-N 447.556 5.950 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1ccccc1)C2=O 2324345776 VYKFNAPVPDVVMK-LJQANCHMSA-N 441.527 5.888 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(F)cc2)C3=O)c1 2324455499 GEUDUDGWEQBXNB-KRWDZBQOSA-N 431.463 5.465 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(Cl)cc3)n2)cc1Cl 2324807227 PTIQVWKBSQTSMR-INIZCTEOSA-N 429.328 6.015 30 10 IKEE Cc1cccc(C(C)C)c1NC(=O)COc1ccc2c(c1)OC(=Cc1cccs1)C2=O 2324989681 QTMUXBKAYUIIIR-UHFFFAOYSA-N 433.529 5.814 30 10 IKEE CCCCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccccc1C 2325530425 WNXIOSFSBRNWDK-UHFFFAOYSA-N 433.408 6.410 30 10 IKEE O=C(CCOc1ccccc1)Oc1cccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)c1 2325737289 XKNHRRLVOLSKCM-UHFFFAOYSA-N 441.310 6.264 30 10 IKEE CCCC(=O)Oc1cc(C=CC(=O)c2ccc(F)c(C)c2)c(Br)cc1OC 2325741751 XPQBHGPYBDYPNG-UHFFFAOYSA-N 435.289 5.507 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2cccc(OC(=O)[C@H]3C[C@H]3c3ccccc3Cl)c2)cc1 2325750794 LRYMQEKKUUJFLJ-DQEYMECFSA-N 444.958 7.069 30 10 IKEE O=C(Cc1ccc(Cl)c(Cl)c1)Oc1cccc(C=CC(=O)c2ccc(F)c(F)c2)c1 2325753429 GKWPBFVZUYGSBF-UHFFFAOYSA-N 447.264 6.316 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1OC(=O)CC1CCCCC1 2325771564 FHMFTVUNAQOIBY-UHFFFAOYSA-N 447.358 6.774 30 10 IKEE C=CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1cccc(C)c1 2326136926 JZVHKCJQZXBDGP-UHFFFAOYSA-N 426.973 5.596 30 10 IKEE CCCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccc(OC)cc1 2326137788 ZZSUUPLPGSVHGW-UHFFFAOYSA-N 444.988 5.520 30 10 IKEE CCOc1c(Cl)cc(C=Nn2c(CC)nnc2SCc2cccc(C)c2)cc1Cl 2326379887 ZTNFGEZYXNBALI-UHFFFAOYSA-N 449.407 6.029 30 10 IKEE CCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1cc(Cl)c(OC)c(OC)c1 2326405886 OTXJLUGHKLZJER-UHFFFAOYSA-N 444.988 5.302 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccccc1C 2326524757 JKTFDCSEJBLBBJ-UHFFFAOYSA-N 426.973 5.678 30 10 IKEE CCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1cccc2ccccc12 2326930994 CXHCBPZZJFMNPV-UHFFFAOYSA-N 444.648 6.575 30 10 IKEE C=CCSc1nnc(CCc2ccccc2Cl)n1N=Cc1cn(C)c2ccccc12 2327975848 FSIKBWIHTQOENS-UHFFFAOYSA-N 435.984 5.369 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccc(Cl)cc3)n2N=Cc2ccc[nH]2)cc1 2328008011 WGDUZJWJJPPFOC-UHFFFAOYSA-N 435.984 5.528 30 10 IKEE CCCCC1CCC(c2nnc(SC)n2N=Cc2cccc(OC)c2OCCC)CC1 2328106617 GBUVBUAZRQDRSX-UHFFFAOYSA-N 444.645 6.144 30 10 IKEE CCCCC1CCC(c2nnc(SCC(=O)OC)n2N=Cc2ccc(CC)cc2)CC1 2328195076 VUCBBWCLMYILFV-UHFFFAOYSA-N 442.629 5.452 30 10 IKEE CCCCC1CCC(c2nnc(SCCO)n2N=Cc2cccc3ccccc23)CC1 2328240010 COVFYYGJVBKSMA-UHFFFAOYSA-N 436.625 5.862 30 10 IKEE C=C(C)CSc1nnc(COc2c(C)cccc2C)n1N=Cc1c(F)cccc1Cl 2328557144 UTNZEOLRFGEZJJ-UHFFFAOYSA-N 444.963 5.817 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1cccnc1 2329076947 IDXRXMDVMQXVOZ-UHFFFAOYSA-N 433.968 5.400 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1ccccc1 2330057488 CLKLKMOHZSQMNH-LJQANCHMSA-N 441.560 5.043 30 10 IKEE Cc1cccc(CSc2nnc([C@H](C)c3ccccc3)n2N=Cc2sccc2C)c1 2330073860 XNMTUUVCGJRRIF-LJQANCHMSA-N 432.618 6.283 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2ccccc2)n1N=Cc1cccc(Cl)c1 2330164901 UBCMENQNKHYPJS-UHFFFAOYSA-N 447.007 6.200 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC3CCCCC3)n2N=Cc2ccccc2C)c1 2330272532 FRSODPJZKBRRSL-UHFFFAOYSA-N 432.637 6.501 30 10 IKEE Cc1ccc(O)c(C=Nn2c(Cc3ccccc3)nnc2SCc2cccc(F)c2)c1 2330471011 SYBSSURRNXVWMN-UHFFFAOYSA-N 432.524 5.197 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3cccc(C)c3)nnc2-c2ccccc2)c1 2330647867 CDPMYLXSCMFRBK-UHFFFAOYSA-N 442.588 6.217 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3cccc(OC)c3)cc2OCC)c1 2330795182 PSLCPRGJYXNFIH-UHFFFAOYSA-N 446.499 5.608 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)cc(Br)c1OC(=O)CC 2330796631 RVHKONNCWHIAMN-UHFFFAOYSA-N 433.298 5.068 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)COc3cccc(C)c3C)c(OC)c2)c1 2330800006 DERPTAKEGOUMRJ-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(C)c3)cc2Cl)cc1 2330860266 KPHXTYNZEPABCZ-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cccc([N+](=O)[O-])c1 2330867570 LRGWOUOTLUCLJP-UHFFFAOYSA-N 443.960 5.603 30 10 IKEE FC(F)(F)c1nnc(SCc2cccc(Cl)c2)n1N=Cc1c[nH]c2ccccc12 2331154814 JOLZLKJLDJEHSH-UHFFFAOYSA-N 435.862 5.606 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)cc2)cc1 2331190130 KQPBCBPNHQKJQQ-DNQXCXABSA-N 446.930 6.344 30 10 IKEE COCCc1nnc(SCc2ccccc2C)n1N=Cc1c(Cl)cccc1Cl 2331245760 QRGDRLXMOXYLDL-UHFFFAOYSA-N 435.380 5.257 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1OC 2331450444 KQYKGMVGOFDUMH-UHFFFAOYSA-N 438.520 5.976 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2cccc(F)c2)c(Cl)c1 2331661973 PGMUNZAMZWBXFO-UHFFFAOYSA-N 438.882 6.220 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 2331715477 UYMCUFQTURXYED-UHFFFAOYSA-N 444.571 6.330 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CC(C)C)c([N+](=O)[O-])c2)c(OCC)c1 2331734453 JBGQSTBOGBZHIH-UHFFFAOYSA-N 441.480 5.240 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3Cl)cc2)cc1Cl 2331815014 VBRQFJJATIZBQQ-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1C 2331835509 DBFZTYXWRDGPBU-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE CC#CCN(C[C@@H](NCCC)c1cccc(Br)c1Cl)C(=O)OC(C)(C)C 2337911143 SLKSLJRWJURJAM-QGZVFWFLSA-N 443.813 5.404 30 10 IKEE CC1(C)OB(C=Cc2ccc(Nc3ccc(Cl)c(Br)c3)nc2)OC1(C)C 2365050713 RFWXFSSLIPPZCX-UHFFFAOYSA-N 435.558 5.886 30 10 IKEE O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc3oc(-c4ccncc4)nc3c2)c1O 3184763 XGXAYELQVGOXSX-LSHDLFTRSA-N 439.225 5.017 30 10 IKEE COc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1O 9601031 NKJHSBJSERJWFG-IIMAJNMQSA-N 447.534 6.621 30 10 IKEE O=C1C[C@H](c2ccccc2Cl)CC2=C1[C@@H](c1ccccc1Cl)Nc1ccccc1N2 20886170 SDPCAWNUFFQGEH-SGANQWHYSA-N 435.354 6.973 30 10 IKEE Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(Cl)c2Cl)cc1 21252882 CAGFESZVJRYACO-MRDQGFSESA-N 449.381 7.281 30 10 IKEE N#Cc1c(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(F)cc2)sc2c1CCCC2 27520359 AQNVJVRGELHBHW-OLFWJLLRSA-N 443.503 5.869 30 10 IKEE COc1c(C(=O)Nc2ccc(C3(C#N)CCCC3)cc2)cc2ccccc2c1Br 30825940 PLYHKOBCHHKOPQ-UHFFFAOYSA-N 449.348 6.199 30 10 IKEE CCOc1ccc([C@H]2C3=C(C[C@H](c4ccc(O)c(OC)c4)CC3=O)Nc3onc(C)c32)cc1 33321131 IPAYWZFNFRISSR-BXKMTCNYSA-N 446.503 5.054 30 10 IKEE CC1(C)OC(c2ccccc2)=C/C(=C\C=C\C(=O)/C=C(\c2ccccc2)N2CCOCC2)O1 33926447 SFPHJERGACFUPE-VHYIYUAVSA-N 443.543 5.193 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)C)cc2)s1 39760500 CDAAGUSQHHIEMS-NRFANRHFSA-N 447.560 5.057 30 10 IKEE COC(=O)c1ccc(/C=C2\S/C(=N/c3cccc(C)n3)N(C3CCCCC3)C2=O)cc1 39863650 XPTHHYGLLKECOP-UVFCNREVSA-N 435.549 5.113 30 10 IKEE C=CCc1ccc(OCCn2c([C@H](C)N3CCCCCC3)nc3ccccc32)c(OC)c1 39917379 OUESCYXADUFDLT-NRFANRHFSA-N 433.596 5.789 30 10 IKEE O=C1/C(=C/c2ccccc2O)S/C(=N/N=C\c2ccc(Cl)cc2)N1Cc1ccco1 47137875 VRFLYLWZSNUSMA-SKPWDWTKSA-N 437.908 5.145 30 10 IKEE C[C@@H](/C(O)=N/c1nnc(-c2ccccc2)s1)N(Cc1ccccc1)Cc1ccccc1 47155846 BVWWNLGDTMMODK-IBGZPJMESA-N 428.561 5.884 30 10 IKEE Cc1cc(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 59105767 DLCJMWUDOAUPLW-RGVLZGJSSA-N 436.468 5.033 30 10 IKEE CCCCCN(CCCCC)CN1C(=O)/C(=N\c2ccc(CCCC)cc2)c2ccccc21 59372159 QRVZQAGCYOLTNT-HYOGKJQXSA-N 447.667 7.137 30 10 IKEE CCCCCCCCCCCCCCCCNC(=S)NC(=O)COc1ccccc1C 100070382 DRSWCHLXXAWCPC-UHFFFAOYSA-N 448.717 6.846 30 10 IKEE CCCCCCCCCCCCCCCCNCc1ccc(OCC(C)C)c(OC)c1 100125327 SREKTMCOWMRUCJ-UHFFFAOYSA-N 433.721 8.301 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)c1oc2c(c1C)C(=O)CC(C)(C)C2 100999104 QENTYIMDAVBPEE-UHFFFAOYSA-N 445.688 7.954 30 10 IKEE CC(C)Oc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)[C@@H]2c2cccc(Cl)c2)cc1 102910257 UJHPSZJFOCZCPG-RKKARLDVSA-N 448.906 5.149 30 10 IKEE CCCCCCCCCCCOC(=O)CCN1C(=O)/C(=C\c2ccccc2)SC1=S 103780327 HMIYTFZPSNTEIO-XUTLUUPISA-N 447.666 6.352 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(OC)cc2)cc1 169921608 XXXJDSCQBWBOQJ-QHCPKHFHSA-N 431.463 5.180 30 10 IKEE COc1cccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccc(C)cc2C)c1 169935785 IEPPKYKDBOTXSE-SANMLTNESA-N 441.527 5.414 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2cccc(Cl)c2)c1 169970074 NPZYATLBYKODRH-HSZRJFAPSA-N 431.919 6.048 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)(C)C)cc2)[C@H]1c1ccccn1 169992069 PYSAVYZJGPJHQB-QHCPKHFHSA-N 442.515 5.171 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccccc2)cc1C 170049030 QNQGBUYMOUNRGC-VWLOTQADSA-N 441.527 5.910 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccccc1C 170087920 RHZOKVJPGYRAQD-JOCHJYFZSA-N 435.426 5.065 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2ccco2)cc1Cl 170092145 YONZMJXSZGUZAG-NRFANRHFSA-N 437.879 5.341 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(C)o2)cc1 170102126 LKLOEMPXPVOZLC-QHCPKHFHSA-N 443.455 5.121 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1ccc(N(C)C)cc1 170129003 XLNXMEQTOOQGFB-XMMPIXPASA-N 448.607 5.737 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@@H]1c1cccs1 170161639 YCDQDKQCQCICJE-QFIPXVFZSA-N 431.513 5.164 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccccn2)c1C 170172695 JUPVXYPMYFMMOF-XMMPIXPASA-N 442.515 5.269 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C2CCCC2)cc1 170214714 BSHNPNMOUCAASS-VWLOTQADSA-N 441.527 5.759 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccc2)c1 170224091 BEVUBOVTHBMBOT-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1ccc(Cl)cc1 170236661 JTNRALKFUMWXNK-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(F)cc2)cc1C 170239952 WWGQOSJPKJYFBM-XMMPIXPASA-N 445.490 5.624 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(C)o2)cc1C 170299802 LZOQMEUWXLUZKR-HSZRJFAPSA-N 449.478 5.607 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccc(C)o2)c1 170304453 VXWFOBBAAINHOM-DEOSSOPVSA-N 443.499 5.264 30 10 IKEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(OC)ccc3ccccc13)N2 250452774 XRCGKSRTXIDTJE-YZIHRLCOSA-N 446.572 5.139 30 10 IKEE Cc1ccc(Nc2nc(NN=Cc3cccc4ccccc34)nc(-n3nc(C)cc3C)n2)cc1 252624985 QACFRHGFIFVHBI-UHFFFAOYSA-N 448.534 5.325 30 10 IKEE CCCOc1cccc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2C#N)c1 526606672 MTQWOBLXRPBTOH-XMMPIXPASA-N 444.918 6.058 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1cc(Cl)c(OC)c(Cl)c1 526804256 KMEXWTGNGKNTCB-MSXFZWOLSA-N 449.407 6.029 30 10 IKEE Cc1c(/C=N\n2cnnc2SCc2c(Cl)cccc2Cl)c2ccccc2n1C 526813970 HWAKZHQDIYFTCJ-VROXFSQNSA-N 430.364 5.560 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccccc1OCC 526816384 ADDHLSZHJOEOIV-IWIPYMOSSA-N 428.989 5.847 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccc(CC)cc1 526818009 MEBZZDOMZGBZDF-QFEZKATASA-N 430.980 6.150 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1ccc(OC)c(OCC)c1 526819373 VDSISVISUYQGFR-MYYYXRDXSA-N 438.597 5.429 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1cc(OC)ccc1OC 526822004 PUYAGXHJQIRFKY-QQXSKIMKSA-N 446.576 5.576 30 10 IKEE CC(C)Oc1c(Cl)cc(/C=N\n2cnnc2SCc2cccc(F)c2)cc1Cl 526824813 VGEZVXUXTVABAV-OPVMPGTRSA-N 439.343 5.686 30 10 IKEE CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1c(OC)ccc2ccccc12 526828525 HHSBUBUJZFJVIF-OYKKKHCWSA-N 447.520 5.085 30 10 IKEE Cc1ccc(C#N)c([C@@](C)(CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 687743297 ZXEPQCHRTAFOCQ-HHHXNRCGSA-N 440.499 5.095 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@H](C#N)c1cscc1Br 698893883 VXBVWFLQFYVQTG-OAHLLOKOSA-N 427.751 6.170 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(N=Cc3c[nH]c4ccccc34)cc2)cc1[N+](=O)[O-] 1083967913 JWYUHUOHGRJNDB-MQWGNZISSA-N 425.444 5.731 30 10 IKEE Cc1csc(N=C2S/C(=C\c3ccc(N(C)C)cc3)C(=O)N2C2CCCCC2)n1 1772737300 KZZNTMHZCHYOOH-GIFQUSADSA-N 426.611 5.454 30 10 IKEE Cc1ccccc1NC(=O)c1oc2c(c1C)C(=NNc1cccc(C(F)(F)F)c1)CCC2 1772750867 PUBQTSFGIGKHBC-UHFFFAOYSA-N 441.453 6.320 30 10 IKEE N#CCc1cc(-c2ccc(OC(F)(F)F)cc2)ncc1-c1ccc(OC(F)(F)F)cc1 1848361724 GRNZZUHYOBZXMU-UHFFFAOYSA-N 438.327 6.279 30 10 IKEE CCCCCCCCn1cc(OCC(=O)c2ccc(C(C)C)cc2)c(=O)cc1C(=O)O 1857891566 XHMHXDAYOAQYFW-UHFFFAOYSA-N 427.541 5.292 30 10 IKEE Cc1cccc(Cn2nc(C(=O)Nc3ccccc3C#N)cc2-c2cccc3c2CCCC3)c1 1859394669 RQOILOGPZKCYIA-UHFFFAOYSA-N 446.554 5.910 30 10 IKEE COc1ccc2cc(C(=O)Nc3oc(-c4ccccc4)c(-c4ccccc4)c3C#N)oc2c1 1859744275 ZNYGCJZRHRFWIZ-UHFFFAOYSA-N 434.451 6.492 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCC)NC(=O)Cc1cc(Cl)ccc1SCC 1861004823 YBJVAGKRBZZEIP-FQEVSTJZSA-N 441.081 5.756 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc2cc[nH]c2c1 1862380572 GMFLFPREKWVLFM-IBGZPJMESA-N 429.303 5.463 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccccc2Cl)=C(O)C(=O)N1CCC1=CCCCC1 1862428907 ALGBCVVXJPFJDO-QHCPKHFHSA-N 435.951 6.117 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(C(C)C)cc1 1862463337 GKXOQDCFQSIWCG-NRFANRHFSA-N 431.454 5.462 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(C)cc2)cc1 1862475872 WJMNAQOEYYSGSF-RUZDIDTESA-N 425.528 5.433 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862487109 SOVRZFMJJXNJTF-VWLOTQADSA-N 431.576 6.303 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(Cl)cc1 1862526380 FIZAYGLNOBLLLA-GOSISDBHSA-N 448.744 5.481 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1cccc2ccccc12 1862531480 OIDDKDDCMUDOQK-AREMUKBSSA-N 441.571 6.561 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2ccccc2C)cc1 1862534431 SXPPHEYWQIQIFG-AREMUKBSSA-N 439.555 5.953 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(O)cc1 1862544574 GTZXJBPGBDQFAO-HGMMTPDKSA-N 445.559 5.428 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1c(F)cccc1Cl 1862653636 SZQFDUKPHYPVTD-JLCFBVMHSA-N 437.898 6.009 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862681952 DFTVSIBKWZRLAL-IBGZPJMESA-N 435.417 5.613 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2Cc2ccncc2)cc1 1862716140 ZHZDRTKVZNALQN-AREMUKBSSA-N 448.522 5.576 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C(C)C)cc1OC 1862722197 XDZRMNJQDITQJE-XMMPIXPASA-N 445.515 5.234 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccc(Cl)c1 1862725093 AULAIPVBNKRSRU-XMMPIXPASA-N 445.946 6.241 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(C(C)C)cc1 1862757692 MGTHSESJFIDIOZ-QFIPXVFZSA-N 436.508 5.343 30 10 IKEE N#Cc1ccc(N2C(=O)C(Nc3ccccc3Cl)=C(c3ccc(Cl)cc3)C2=O)cc1 1862797354 JUSUJVRUMLAHQI-UHFFFAOYSA-N 434.282 5.262 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccccc2C#N)=C(c2ccccc2F)C1=O 1863306022 MRTJWKYAIFZRLA-UHFFFAOYSA-N 447.554 6.030 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Cl)c(Cl)c2)=C(c2cc(Cl)ccc2Cl)C1=O 1863383077 HZSAQUCIYNTZGP-UHFFFAOYSA-N 442.129 5.678 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@@H](C)CC)=C(c2ccccc2[N+](=O)[O-])C1=O 1863593795 OUADDDNYLNELEV-SFHVURJKSA-N 429.561 5.204 30 10 IKEE CCCCCCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2CC)[C@@H]1c1ccco1 1864476724 RDZKCIVERVDXFD-NRFANRHFSA-N 442.604 5.010 30 10 IKEE CCc1nc(Nc2cccc(C#N)c2)cc(N2CCC[C@H]2c2nc3ccccc3s2)n1 1868268595 PWHZLERPDBZTRZ-IBGZPJMESA-N 426.549 5.605 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccccc2F)cn1CCCCCCCC 1870341919 JTABVAADYCLZLU-UHFFFAOYSA-N 440.603 6.101 30 10 IKEE CCCCCCCOc1cn(Cc2ccncc2)c(CNc2cccc(Cl)c2)cc1=O 1870836113 POIQSVHSRVAKCP-UHFFFAOYSA-N 439.987 5.906 30 10 IKEE C#CCOc1cn(CCCOC(C)C)c(CNc2ccc(Oc3ccccc3)cc2)cc1=O 1871005888 FFCWLQOXJDYFFV-UHFFFAOYSA-N 446.547 5.080 30 10 IKEE Cc1ccc(-c2nc(C#N)c(S(=O)(=O)Nc3ccc(-c4ccccc4C)cc3)o2)cc1 1871281363 MKUXSTZUCDISDV-UHFFFAOYSA-N 429.501 5.298 30 10 IKEE O=C1/C(=C/c2cccc(Cl)c2)Oc2c1ccc1c2CN(Cc2nc3ccccc3[nH]2)CO1 1871348422 DUWNJYKJKTZVGA-JJFYIABZSA-N 443.890 5.185 30 10 IKEE Cc1c(OC(=O)c2ccc(Cl)c(Cl)c2)ccc2c1O/C(=C\c1ccccn1)C2=O 1871372353 MTLWLYHWEHGEMU-ODLFYWEKSA-N 426.255 5.532 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871410256 BVXNCENJLHHWDZ-HZRSJKMUSA-N 445.490 5.719 30 10 IKEE COc1ccc(OCCCOc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1 1871415854 XGAKXMFQUGTADF-PKAZHMFMSA-N 444.527 6.283 30 10 IKEE Cc1cc(OCCOc2ccccc2F)cc2c1C(=O)/C(=C/c1c(F)cccc1Cl)O2 1871417697 XCAVQEQAJPJSKD-XKZIYDEJSA-N 442.845 6.001 30 10 IKEE Cc1cc(OCCOc2ccccc2F)cc2c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O2 1871417759 ZJBZNLHJASDCFM-MYYYXRDXSA-N 432.491 6.332 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccccc1)C2=O 1871424475 KQWZXGBBOKTZES-UCQKPKSFSA-N 427.500 5.500 30 10 IKEE C=CCN(CC=C)c1nc(=NCc2ccc(C)cc2)nc(Nc2ccc(C(C)(C)C)cc2)[nH]1 1871557314 LNODZKQFOZFALG-UHFFFAOYSA-N 442.611 5.434 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(C)cc1C)[C@@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872549259 UAGBTXKRPXLWAN-YADARESESA-N 442.625 5.150 30 10 IKEE C[C@H](c1ccccc1)N1C[C@H](C(=O)[C@H](C#N)c2nc(-c3cccc(Cl)c3)cs2)CC1=O 1872766897 QCJLCYJRVGFJDL-ZTNFWEORSA-N 449.963 5.249 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3cc(C)ccc3C)n2)c2ccccc12 1872787121 BGYWPCGYOZHSQH-QFIPXVFZSA-N 426.541 6.008 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C(C)C)cc2)=C(c2cccc(OC)c2)C1=O 1873218672 ZCDZFOGLCHOHKH-UHFFFAOYSA-N 448.607 6.371 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CCc2ccccc2Cl)nnc1SCC 1874276281 DGXDKWWLKGZBQS-LFVJCYFKSA-N 426.973 5.276 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccc(Cl)cc3)n2/N=C/c2ccncc2)cc1 1874281005 MIJRZBPGAHILSR-JVWAILMASA-N 447.995 5.595 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccc(C)c(C)c3)n2/N=C/c2ccccn2)c1 1874319550 XGKMURBQJCQRQU-JFLMPSFJSA-N 443.576 5.352 30 10 IKEE Cc1ccsc1/C=N/n1c(COc2ccccc2)nnc1SCc1cccc(F)c1 1874383586 SOINQODZRZZQHX-ZMOGYAJESA-N 438.553 5.541 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)cc3)n2/N=C/c2cc(C)ccc2O)cc1 1874386372 LZQFEKOIFQUXBY-JVWAILMASA-N 442.588 5.674 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1/N=C/c1ccccc1 1874420796 FEQPFXPXIYAFIY-BUVRLJJBSA-N 447.589 5.182 30 10 IKEE CCOc1cc(/C=N/n2c(SC)nnc2-c2ccccc2)ccc1OCc1ccccc1 1874425678 URSZLXOGJMVECT-YZSQISJMSA-N 444.560 5.527 30 10 IKEE Cc1ccc(CSc2nnc([C@H]3CCCO3)n2/N=C/c2ccc(Cl)cc2Cl)cc1 1874442209 WABOWNZMWBTNJN-QVHMZZSFSA-N 447.391 5.919 30 10 IKEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2C2CCC2)cc1 1874493231 BGFAZGWMWJDUOK-AFUMVMLFSA-N 433.581 5.084 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1c(Cl)cccc1Cl 1874507964 FOHIGKAHJAWQNW-FOKLQQMPSA-N 439.799 6.365 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1cn(C)c2ccccc12 1874528218 XUBBXXBBFGFNQR-BHGWPJFGSA-N 444.391 5.814 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Cl)c1OCc1ccccc1C 1874608290 GOXWHLOVROMGRQ-OUKQBFOZSA-N 441.354 7.176 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccccc3OC)cc2Cl)cc1 1874610388 QDZFFVLTLIDUDO-GXDHUFHOSA-N 449.934 5.825 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(F)cc3F)c2)cc1C 1874696311 RNVRMCLLCDFIMQ-RUDMXATFSA-N 438.426 5.406 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1cccc(/C=C/C(=O)c2cccc(Cl)c2)c1 1874699140 GPWJWAGKZVUGRE-CSKARUKUSA-N 427.283 6.117 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OC(=O)c1ccc(F)c(F)c1F 1874709398 FQTXPANJSSYRGX-KRXBUXKQSA-N 448.343 5.506 30 10 IKEE CCOc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C(C)C)cc3)c2)cc1 1874710340 XLYJBKUPZICGRD-LICLKQGHSA-N 428.528 6.253 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C(=O)CCN(CCO)Cc2ccccc2)cc1 1874747658 STLHYWUSMFIMSO-UHFFFAOYSA-N 439.596 5.410 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccccc2OCC)CSc2nnc(CCC)n21 1874860220 LGZAZYKWSQWHAX-HXUWFJFHSA-N 444.645 5.692 30 10 IKEE COc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1 1875096852 IOVKHZFJKUZJDN-SFQUDFHCSA-N 442.511 5.455 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3ccc(C)c(C)c3)c(OC)c2)cc1 1875100161 QYJZLFLYKXHKBU-GXDHUFHOSA-N 444.527 5.998 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3F)cc2)c1 1875120508 WPBRRVYICNIZPJ-NTEUORMPSA-N 436.454 5.934 30 10 IKEE COc1ccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2)cc1 1875138258 RDQIZUIIQQVYDQ-LICLKQGHSA-N 444.527 5.973 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)c1cccc(C)c1 1875140078 OTBMCXBCJBILGT-BUHFOSPRSA-N 440.539 6.464 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3F)c(Cl)c2)ccc1F 1875141641 NWXZXPOYCPXDPI-UXBLZVDNSA-N 426.846 5.971 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OC(=O)CCOC 1875164953 JKZNQZTURLFLSY-CSKARUKUSA-N 440.536 5.364 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)c1ccco1 1875183625 LBZNHHSVLDGIGB-ZHACJKMWSA-N 430.500 6.057 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2ccc(OC(=O)c3sccc3C)cc2)cc1Cl 1875185806 PTVURGDVXSAFGK-VMPITWQZSA-N 447.339 6.487 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N(CCCC)CCCCCC)n2C 1875197199 FATXVKWCCTVQKW-UHFFFAOYSA-N 443.680 6.563 30 10 IKEE C=C1CCC(C[C@@H](NC)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CC1 1875653643 YTKBVCNQAWNTGT-MUUNZHRXSA-N 441.615 7.242 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1scc(Br)c1C 1923038051 NGQSTQVMANYWGY-JKSUJKDBSA-N 429.424 5.166 30 10 IKEE CC1(C)CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)[C@@H](CNC(=O)OC(C)(C)C)C1 1927163759 BYRATJIPXPYNMM-IQGLISFBSA-N 449.636 5.779 30 10 IKEE CC1(C)C[C@@H]([C@@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C1 1931256386 LKCPOBBVYZEPPN-VQTJNVASSA-N 443.588 5.351 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NC)C1CCC2(CC1)CC(NC(=O)OC(C)(C)C)C2 1996365752 MWPAETVUUZUKSS-YQHAQTLASA-N 428.617 5.211 30 10 IKEE CC[C@@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)CN1C(=O)OC(C)(C)C 1996581008 ZLYDGRVVLVJVOQ-HOYKHHGWSA-N 435.609 5.628 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)[C@@H]1C1CC1 2014633885 PTCYXLZEVSQTTC-FDDCHVKYSA-N 447.601 5.167 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2031496988 JALNCWOVEBKYTA-NLFFAJNJSA-N 449.636 6.066 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2ccccc2NC(=O)OC(C)(C)C)c1 2031833156 ZCCCTGSNARGOFP-OAQYLSRUSA-N 437.540 6.348 30 10 IKEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(C)c1 2045241861 UUWWOHDPBRCXQX-KBMIEXCESA-N 443.588 5.666 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1CCC2(CCC2)N(C(=O)OC(C)(C)C)C1 2067079870 UZRCOAIGBVFMJR-DNQXCXABSA-N 442.644 5.697 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)[C@H]1C(C)(C)C 2076161249 KKHVQUQEERGZFR-HOYKHHGWSA-N 447.551 5.495 30 10 IKEE Cc1ccc([C@H](C2CCC2)n2nc(C3CCC3)c(C#N)c2I)c(F)c1 2079079181 QNRJBCVSKIAJGF-IBGZPJMESA-N 449.311 5.464 30 10 IKEE Cc1ccc([C@H](C2CCC2)n2nc(C3(C)CC3)c(C#N)c2I)cc1C 2079131429 TXFUCJWGDZUQQA-SFHVURJKSA-N 445.348 5.417 30 10 IKEE Cc1cc(C)c([C@@H](C2CC2)n2nc(C(F)F)c(C#N)c2I)c(C)c1 2079858150 LRSKCCQUBCYZCM-MRXNPFEDSA-N 441.263 5.222 30 10 IKEE CC1([C@@H](c2ccc(C(F)(F)F)c(F)c2)n2nc(C(F)(F)F)c(C#N)c2Cl)CC1 2080052706 COYAOOYKLGRTCQ-CYBMUJFWSA-N 425.735 5.974 30 10 IKEE CCCOc1ccc([C@@H](n2nc(C3CCC3)c(C#N)c2Br)C(C)(C)C)cc1 2080068699 GNFGJKAADQVKGX-HXUWFJFHSA-N 430.390 6.209 30 10 IKEE C=C(C)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@H]4[C@]5(C)[C@@H](O)C[C@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@H]12 2085138203 SWEUJTWPRYKNNX-VYAUFEOBSA-N 442.728 6.996 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)c(Br)c1F)NCC 2110508245 AMXSPKJQVVFKCB-GJZGRUSLSA-N 449.792 5.232 30 10 IKEE Cc1nn(C)c(Cl)c1[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2118714523 FROYENCILRGIOX-AWEZNQCLSA-N 439.741 5.151 30 10 IKEE CC(C)(C)OC(=O)N1CCc2cc(Nc3ccc(Br)cc3C#N)ccc2C1 2162331582 UMHHJIGGOWTICR-UHFFFAOYSA-N 428.330 5.358 30 10 IKEE C=C(Cl)C[C@@H](NCC)c1cc(Br)cc(Br)c1OCCC 2164158744 AWJGVUQNOYNDTR-CQSZACIVSA-N 425.592 5.794 30 10 IKEE CC(C)(C)OC(=O)N1CCc2sccc2[C@@H]1CNc1ccc(Br)cc1C#N 2194005472 JJLOKMVUDMAZNR-KRWDZBQOSA-N 448.386 5.329 30 10 IKEE C#C[C@]1(Oc2cc(Br)ccc2C(F)(F)F)CCCN(C(=O)OC(C)(C)C)C1 2198815651 OIHKYZFUHHXUKN-SFHVURJKSA-N 448.279 5.250 30 10 IKEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@H](C#N)c1c(F)ccc(Br)c1F 2223370380 UVNRURDCTYHRGS-SNVBAGLBSA-N 429.183 5.091 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)[C@H](CC(C)(C)C)NC(=O)OC(C)(C)C 2235734201 WFKHBJPRBBVZLM-OALUTQOASA-N 437.422 5.108 30 10 IKEE CC[C@H]1CC=C(C(=O)[C@@H](Cc2ccccc2Br)NC(=O)OC(C)(C)C)CC1 2237427346 XOKVIPBRNJKBHG-HNAYVOBHSA-N 436.390 5.591 30 10 IKEE Cc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2241478783 LGQUURGOEFRHIQ-UHFFFAOYSA-N 441.380 5.137 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)c2ccccc2)s1 2255595664 ABSPQDJDQATMNN-UHFFFAOYSA-N 433.382 5.203 30 10 IKEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cccc(Cl)c1Br 2259400235 FTNVCAYEDLETJD-DOTOQJQBSA-N 429.786 5.060 30 10 IKEE C#C[C@H](C)[C@H](OCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2261772702 MSFYGSAPAFZMEB-DCFHFQCYSA-N 430.500 5.256 30 10 IKEE CC1(C)OB(c2ccc(C(=O)N(Cc3ccccc3)C3CCCCC3)cc2F)OC1(C)C 2267451151 LYFLRAQSPPWDFD-UHFFFAOYSA-N 437.364 5.100 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCC(=O)O)c1ccc(Br)c(Cl)c1F 2275813778 AJGPDWZOVIODLB-LJQANCHMSA-N 443.696 5.157 30 10 IKEE C=C(C)CC[C@H](NCCC)[C@](C)(O)c1cc(Br)c(Br)s1 2281226844 UIMYSFIWWYDGPM-WFASDCNBSA-N 425.230 5.205 30 10 IKEE Cc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)c1ccccc1 2285973698 OTWADJOCGURTHX-UHFFFAOYSA-N 445.343 5.280 30 10 IKEE C=CCn1cc(C=C2SC(=Nc3ccccc3)N(c3ccccc3)C2=O)c2ccccc21 2297461673 ATHHIMMRTKFDOV-UHFFFAOYSA-N 435.552 6.636 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(O)c3CN3CCCC[C@@H]3c3cccnc3)C2=O)cc1 2297472794 NSPKOYAWBNWQTQ-HSZRJFAPSA-N 442.515 5.139 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2Oc3cc(C)c(C)cc3C2=O)cc1C 2314519284 HSWOAVMBSQEUAI-UHFFFAOYSA-N 436.511 6.089 30 10 IKEE CCCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1sccc1C 2318573963 BSYGSSJWZYZEKR-UHFFFAOYSA-N 426.655 6.463 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1cccc(OCC)c1O 2318574780 TWSQGYHUKVCMIL-UHFFFAOYSA-N 430.961 5.163 30 10 IKEE C=CCN(C(=O)C=Cc1ccc(OCc2ccccc2)cc1)[C@H](C)CCc1ccccc1 2320824468 HZGFDETYKZFTMN-XMMPIXPASA-N 425.572 6.315 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2321304183 HRAVUSKTUCLIAW-OALUTQOASA-N 445.535 5.249 30 10 IKEE COc1ccc(OC)c(C=C2Oc3c(ccc(OCc4ccc(Cl)cc4)c3C)C2=O)c1 2321770003 SVHHKWHARKWGRF-UHFFFAOYSA-N 436.891 5.861 30 10 IKEE CCCCC[C@@H](CC)N1COc2ccc3c(c2C1)OC(=Cc1cccc([N+](=O)[O-])c1)C3=O 2322072043 UWLGETDVMFKQEU-GOSISDBHSA-N 436.508 5.722 30 10 IKEE COc1cccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3cccc(C)c3)C4)C2=O)c1 2322432448 HDEVCVUXJMWWFL-UHFFFAOYSA-N 427.500 5.280 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccccc2)c1OCc1ccc(Cl)cc1Cl 2322545652 GPYJEIZCUCKWBT-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc2c(c1C)OC(=Cc1ccccc1Br)C2=O 2322684203 MNRLGZNWPJURGY-UHFFFAOYSA-N 449.300 5.901 30 10 IKEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1cccc2ccccc12)Nc1ccccc1 2322724840 ZUKDZISQYXYSOI-UHFFFAOYSA-N 441.914 6.407 30 10 IKEE CCCOc1c(C=CC(=O)c2cc(C)cc(C)c2OC)cc(Br)cc1OC 2322856683 ZKJITBIXBDHZAM-UHFFFAOYSA-N 433.342 5.768 30 10 IKEE O=C(C=Cc1cccc(OCc2ccccc2Cl)c1)c1cccc(Br)c1 2323097928 PPSVSRCMWLLLNH-UHFFFAOYSA-N 427.725 6.578 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OCc3cccc(C)c3)c2)cc1OCCC 2323118092 KNSOIUZDIOODAD-UHFFFAOYSA-N 444.571 7.048 30 10 IKEE CCOC(=O)c1ccc(COc2cccc(C=CC(=O)c3cc(Cl)ccc3OC)c2)o1 2323332183 FLJURMAPYMCXHC-UHFFFAOYSA-N 440.879 5.593 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1Cl)Nc1ccccc1F 2323720934 VTDNRLGHFQMBJF-UHFFFAOYSA-N 445.824 5.671 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OC(=O)c4cccc(OC(C)C)c4)c3C)C2=O)c1 2323808985 DZMKZFLSOFDZPJ-UHFFFAOYSA-N 444.483 5.626 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1OCc1ccccc1C 2323907837 FAHHVVVYEGYIDB-UHFFFAOYSA-N 431.488 6.085 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)ccc1OCc1cc(C)ccc1C 2324054892 DJZPJWDNHFYDOM-UHFFFAOYSA-N 430.500 5.558 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc([N+](=O)[O-])c1OCCO 2324285011 LUFGDSPFZZYPJP-UHFFFAOYSA-N 449.459 5.053 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccc(OCc2ccccc2C)cc1 2324324712 PNLLXGWVPSDFEE-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc(OCC(=O)Nc3ccc(C)cc3C)c2C)C1=O 2324892304 QUVUVTJUIAQHEB-UHFFFAOYSA-N 443.499 5.254 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(O)c(OC)c1 2325536156 WTEZSVXJXLYBJP-UHFFFAOYSA-N 448.951 5.302 30 10 IKEE CCCCCOc1ccc(C=Nn2c(CCC)nnc2SCc2ccc(F)cc2)cc1 2325544211 NHYGNMQZHIEASW-UHFFFAOYSA-N 440.588 6.113 30 10 IKEE CCCCOc1ccc(C=Nn2cnnc2SCc2cccc(Cl)c2)cc1OCC 2325668285 PKATWOABXFFHCL-UHFFFAOYSA-N 444.988 5.684 30 10 IKEE CCOc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(C)cc2)C3=O)cc1 2325705055 PGIXXTBDALARGU-UHFFFAOYSA-N 429.472 5.027 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)COc1ccc2c(c1)OC(=Cc1sccc1C)C2=O 2325723446 SYBXKCGSRGMVFT-UHFFFAOYSA-N 439.920 5.652 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)CSc3ccccc3)c2)c(C)c1C 2325755775 TYNNTXMRANGNMV-UHFFFAOYSA-N 432.541 5.906 30 10 IKEE Cc1ccccc1CCC(=O)Oc1cccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)c1 2325756939 WVSODCRHUKDCDO-UHFFFAOYSA-N 426.556 6.663 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1OC(=O)c1ccccc1OC 2325757231 OYTOHXYTIHWCAJ-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE COc1ccccc1C(=O)Oc1cccc(C=CC(=O)c2cc(Cl)cc(C)c2OC)c1 2325764056 RTAAYTQIOWLRKI-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE CCOc1ccc(C(=O)Oc2cccc(C=CC(=O)c3cc(Cl)ccc3Cl)c2)cc1 2325773749 MJVFWUYRVCVSNC-UHFFFAOYSA-N 441.310 6.507 30 10 IKEE CCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1cn(C)c2ccccc12 2326513762 YEGSXAWLRADTDV-UHFFFAOYSA-N 439.972 5.305 30 10 IKEE C=CCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc(OC)c(O)c1 2326606527 OMSCFRNEXAGTMI-UHFFFAOYSA-N 444.560 5.091 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccccc1OC(C)C 2327567127 XGJVIHFEFTVGBO-UHFFFAOYSA-N 442.972 5.458 30 10 IKEE CCCC[C@@H](NC(=O)C=C(c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1ccccc1C#N 2329600097 AFTWGLQMAPZVPS-RUZDIDTESA-N 429.564 5.282 30 10 IKEE Cn1cc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccccc2)c2ccccc21 2330271321 DJCWKJPBDJOFKT-UHFFFAOYSA-N 443.620 6.067 30 10 IKEE CCOc1cccc(C=Nn2c(Cc3cccs3)nnc2SCc2ccccc2)c1 2330390472 ARHKPAURTCDHFB-UHFFFAOYSA-N 434.590 5.504 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3cccs3)n2N=Cc2sccc2C)c1 2330393611 YBMRWUKXEVUQQW-UHFFFAOYSA-N 438.647 6.092 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccccc3)n2N=Cc2ccc([N+](=O)[O-])cc2)c1 2330672088 PTUPEWHECFKFKK-UHFFFAOYSA-N 443.532 5.645 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(CC)cc2)cc1[N+](=O)[O-] 2330750051 NDGVCNZJDVNUOT-UHFFFAOYSA-N 437.536 6.709 30 10 IKEE COc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2cccc(F)c2)c(OC)c1 2330824573 ONNJLDBJCXYVEL-UHFFFAOYSA-N 442.560 5.198 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc(Br)c2)cc1)c1cccc(Cl)c1 2331116163 RQZRVMGXNGQGQI-UHFFFAOYSA-N 441.708 6.218 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2ccccc2C)nnc1-c1ccco1 2331174208 MXOJYMYKUWALRP-UHFFFAOYSA-N 432.549 5.810 30 10 IKEE Clc1cccc(Cl)c1C=Nn1c(SCc2ccccc2)nnc1-c1ccco1 2331205061 YUYLQYPPVUCWDQ-UHFFFAOYSA-N 429.332 6.019 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccncc3)c(Br)c2)c(C)c1 2331224845 SGPWRSVPRJLPMS-UHFFFAOYSA-N 436.305 5.576 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)CCOc3ccccc3)c([N+](=O)[O-])c2)c(C)c1 2331225168 MJHIXWNIISHIPH-UHFFFAOYSA-N 445.471 5.482 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc([N+](=O)[O-])c1OC(=O)CC(C)C 2331228548 GGARZBMZBIHDGU-UHFFFAOYSA-N 425.481 5.458 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3Cl)c([N+](=O)[O-])c2)cc1 2331273751 QCGRCMOVGVNJDK-UHFFFAOYSA-N 435.863 5.601 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1OC(=O)c1ccc(C)cc1 2331279141 NYRCFDLVZNKTTH-UHFFFAOYSA-N 445.471 5.726 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2)c1 2331318374 FAZFRTKJFABZCA-UHFFFAOYSA-N 440.495 5.565 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)[C@@H](C)c2ccccc2)c(Cl)c1 2331358919 FELIEUUCXNDMAP-SFHVURJKSA-N 434.919 6.262 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2cccc(C)c2)cc1 2331377039 AXJXQQAJKYNFSS-UHFFFAOYSA-N 435.597 5.059 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2cc(OC)ccc2OC)cc1[N+](=O)[O-] 2331389040 KPGLJQOOALYPPH-UHFFFAOYSA-N 441.480 5.384 30 10 IKEE Cc1ccsc1C=Nn1c(CC(C)C)nnc1SCC(=O)Nc1cccc(C)c1C 2331430582 MFXWCFKAGBCDFP-UHFFFAOYSA-N 441.626 5.076 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1C1CCC1 2331505746 LPVVXPMEQUAAFY-UHFFFAOYSA-N 449.536 5.193 30 10 IKEE Cc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2Br)c1 2331525911 PZDSMLZCZAZBSB-UHFFFAOYSA-N 439.280 6.012 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccnc3)c(Br)c2)cc1C 2331706155 CLJBSRCBTPBELA-UHFFFAOYSA-N 436.305 5.576 30 10 IKEE CC(=CCCC=C(C)CCC=C(C)CC[C@H]1OC1(C)C)CCC=C(C)CC[C@H]1OC1(C)C 2333213059 KABSNIWLJXCBGG-VSGBNLITSA-N 442.728 9.027 30 10 IKEE N#C[C@H](Nc1cccc(Br)c1)c1ccc(Cl)cc1I 2348279821 BNZCONHKZFTHFO-AWEZNQCLSA-N 447.501 5.384 30 10 IKEE COc1cc([N+](=O)[O-])cc(/C=N/c2ccc(-c3nc4cc(C(C)(C)C)ccc4o3)cc2)c1O 1921056 VRWGWKFWTGOBJS-VULFUBBASA-N 445.475 6.165 30 10 IKEE Cc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(C(C)(C)C)cc2)C3)cc1[N+](=O)[O-] 21224370 UPKUYQUBHRDZDM-AZUAARDMSA-N 432.520 5.205 30 10 IKEE CCOc1ccc([C@@H]2C3=C(C[C@H](c4ccc(O)c(OC)c4)CC3=O)Nc3onc(C)c32)cc1 33321130 IPAYWZFNFRISSR-XDHUDOTRSA-N 446.503 5.054 30 10 IKEE Cc1ccc(C)c(COc2ccc3c(c2)O/C(=C\c2cccc(Br)c2)C3=O)c1 33368849 HEILRQGWOSPDIZ-FMCGGJTJSA-N 435.317 6.261 30 10 IKEE O=C(/C=C/c1ccccc1F)c1ccc(OC(=O)c2ccccc2Br)cc1 35343044 VKKVYTBDSHHXGE-SDNWHVSQSA-N 425.253 5.704 30 10 IKEE Cc1c(/N=N/c2ccc(Br)cc2)c(O)n(CCc2ccccc2)c(=O)c1C#N 39870452 WAZOJNWCKSTDGI-OCOZRVBESA-N 437.297 5.155 30 10 IKEE C=CCc1ccccc1OCCn1c([C@@H](C)NC(=O)c2ccccc2)nc2ccccc21 40186147 BCVZGJIOKXIKKY-HXUWFJFHSA-N 425.532 5.335 30 10 IKEE Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)C(Cl)(Cl)Cl 59240538 QFOZZPFLCLVRFC-CYBMUJFWSA-N 436.553 6.266 30 10 IKEE O=C(O)c1cccc(/N=C2/S/C(=C\c3ccccc3Cl)C(=O)N2c2ccccc2)c1 101133160 UKSLTILQCXEYEZ-QJYUKRAPSA-N 434.904 5.847 30 10 IKEE CCCCCCCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccccc1F 101286270 GULLFLAQKKWZIN-DEOSSOPVSA-N 435.543 6.368 30 10 IKEE CCN1/C(=C/C=C2/CCC/C(=C\C=C3\Oc4ccccc4N3CC)C2=O)Oc2ccccc21 101400013 JAGFJTJVYVIINS-SYZQDEAQSA-N 440.543 6.113 30 10 IKEE CCCCCCCCCCCCn1c(CNC(=O)COc2ccccc2)nc2ccccc21 102126164 YNHQJRYKLAUYNX-UHFFFAOYSA-N 449.639 6.652 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 170052300 QTSZCENBHRDFAF-NRFANRHFSA-N 448.862 5.340 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)[C@@H]2c2ccccc2)ccc1F 170053748 QSJUDRVQQILSRO-XMMPIXPASA-N 445.490 5.704 30 10 IKEE Cc1[nH]c2ccccc2c1[C@H]1C(C(=O)CCc2ccccc2)=C(O)C(=O)N1Cc1ccco1 170104133 UQDRDPOYXULAKR-VWLOTQADSA-N 440.499 5.167 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(OC)c1 170120437 HEKWQHSTEVZQBJ-LJQANCHMSA-N 434.319 5.380 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@@H]1c1cccc(OC)c1 170121193 PLYCOUCVSNUNPM-QHCPKHFHSA-N 437.536 5.171 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(C(C)(C)C)cc1 170150144 OTQHKPGRCNGLME-XMMPIXPASA-N 427.544 6.126 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccs2)c1 170158565 PRHQHZQDLSHDCC-WAIKUNEKSA-N 445.540 5.471 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccccn1)c1ccc2ccccc2c1 170168143 UMFLKNMXKKXAFT-JOCHJYFZSA-N 426.497 5.075 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C(C)C)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)c(C)c1 170176240 LHFHJMFEUVMQPO-UHFFFAOYSA-N 435.527 5.695 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2cccnc2)c1 170187472 DYWIGZOVYCIAAC-XMMPIXPASA-N 442.515 5.269 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCC)cc1 170216089 BUMTVVKFGUZEIY-NRFANRHFSA-N 427.928 5.507 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(CCCOC(C)C)[C@H]1c1ccccc1 170233696 LGIRPYGYBIRREJ-DEOSSOPVSA-N 449.591 5.686 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2F)c1 170249311 IZASBFOZKWTVFG-DEOSSOPVSA-N 445.490 5.706 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cccc(O)c1)c1ccc2ccccc2c1 170261936 AIKSUDRAEHVQRN-XMMPIXPASA-N 427.500 5.456 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2ccccc2C)c1 170271607 LUWYAABVGRUUQS-DEOSSOPVSA-N 425.484 5.021 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccco2)ccc1OC(C)C 170282425 LBPDFASKHMCCCP-JOCHJYFZSA-N 435.451 5.297 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1c1ccccc1O 170314463 WRTMEZZJYMWOPD-HXUWFJFHSA-N 430.485 5.026 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)cc1)c1ccco1 170339855 XKNHBHUDTYCCSH-GOSISDBHSA-N 430.243 5.075 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2cccc(OC(C)C)c2)c1 170347919 DPTLZGDNDVRHMO-DEOSSOPVSA-N 442.515 5.269 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1c1ccc(C(F)(F)F)cc1 170399472 DVDYWZVXZQAHBZ-IBGZPJMESA-N 443.446 5.858 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 170415082 MCAONWTYMZLTBQ-XMMPIXPASA-N 443.518 5.902 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(C(C)C)cc2)cc1 170422307 FIXWYYZBEHNSSR-RUZDIDTESA-N 441.527 5.597 30 10 IKEE C(/C=C\c1ccccc1)=NN=C(NN=C/C=C\c1ccccc1)NN=C/C=C/c1ccccc1 254482932 HZUAMPDDPCIIEZ-YFXAWKBHSA-N 446.558 5.619 30 10 IKEE COc1ccc(-n2c(-c3ccc(F)cc3)cc(C(C)=NOCc3cccc(C)c3)c2C)cc1 254746646 GQUROSNYZSBDAY-UHFFFAOYSA-N 442.534 6.850 30 10 IKEE C(=Nn1c(-c2ccccc2)csc1=NC[C@H]1CCCO1)c1ccc(-c2ccccc2)cc1 254790273 IXAWCLZQZXUWLP-RUZDIDTESA-N 439.584 5.846 30 10 IKEE CC(=NOCc1ccccc1C)c1cc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)c1C 254834063 SOFNZQMCDJROMW-UHFFFAOYSA-N 430.498 6.980 30 10 IKEE CCCCCCCc1ccc(OC(=O)c2ccc([C@H]3CC[C@H](CCCCC)CC3)cc2)cc1 257351821 HHCNLGYJERTGQP-DUYHBEBVSA-N 448.691 9.273 30 10 IKEE C/C=C/[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](c3ccc(N(C)C)cc3)C[C@@]21C 504821507 RTCKAOKDXNYXEH-ZHPGOQKHSA-N 431.620 5.959 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1cccc(OCC(C)C)c1 526825338 CPUQUMXHANCATH-YSMPRRRNSA-N 440.588 5.969 30 10 IKEE CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1cccc(Cl)c1Cl 526829272 ZKQXRIXKHXEDTM-FBHDLOMBSA-N 436.324 5.230 30 10 IKEE C=CCN(CC=C)C(=O)c1cccc(NC(=O)Nc2ccc(C)c(Br)c2)c1 586715769 BUJJNNRUDWAUQQ-UHFFFAOYSA-N 428.330 5.216 30 10 IKEE Cc1cc(I)cc(Nc2cc(Br)c(C#N)cc2F)c1 690581910 QXIZVIYXUNMJPF-UHFFFAOYSA-N 431.046 5.117 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)COCc2ccccc21 698460262 VAPIJGVJGFZKOE-OAQYLSRUSA-N 429.314 5.140 30 10 IKEE CC(C)[C@H]1CC[C@@H](C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 698481013 CIFFIFMDUYTPKG-ZWDAVXSWSA-N 435.406 6.545 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C#N)(Cc1ccc(Br)c(F)c1F)C2 712757866 SUACIPAXVAYFTB-KBPBESRZSA-N 441.316 5.342 30 10 IKEE CSc1ccccc1N/C(=N/C1CCCC1)NC1CCC(CC2CCC(N)CC2)CC1 1088664534 DJICPEHBXTZLIK-UHFFFAOYSA-N 442.717 6.175 30 10 IKEE CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C[C@@H]([C@@H](C)[N+](=O)[O-])[C@@H](C(C)=NO)[C@@]4(C)CC[C@H]32)C1 1565517362 VOETZVYTDQTIBX-NFPPTGFYSA-N 446.588 5.239 30 10 IKEE Fc1ccc(/C=N/N=C/c2ccc(F)c(Oc3ccccc3)c2)cc1Oc1ccccc1 1615951267 XKHJOEPDSDSOKW-YAGSLNJISA-N 428.438 7.002 30 10 IKEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCCC(C)(C)C 1689842279 XNXKKUZPCRQIDY-HNNXBMFYSA-N 433.394 5.000 30 10 IKEE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)C(=NNc2ccccc2)CC(C)(C)C3)cc1 1772728641 UGDNGEOPZPVKJI-UHFFFAOYSA-N 446.503 5.382 30 10 IKEE Cc1ccc(COc2ccc(/C=C3/SC(=Nc4cccc(C)n4)N(C)C3=O)cc2)cc1 1772730240 AIYSGKYWRVBEFI-KHDUAGGOSA-N 429.545 5.511 30 10 IKEE COC(=O)c1ccc(/C=C2/SC(=Nc3ccncc3Cl)N(c3ccccc3)C2=O)cc1 1772734502 DZOZJSHRUJCEFD-FEGZGKEQSA-N 449.919 5.330 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(OCCCC)c(OC)c2)SC1=Nc1cccc(C)n1 1772736060 KHHMTYBFMRNFSR-YKXMXDARSA-N 437.565 5.368 30 10 IKEE N#CCc1ncc(C(F)(F)F)cc1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1848369949 CRPWUVVVWWKQLR-UHFFFAOYSA-N 434.459 7.100 30 10 IKEE CCOC(=O)c1sc(NC(=O)C2(Oc3ccccc3Cl)CCCCC2)c(C#N)c1C 1859736253 SQHJNCQGZRNCQC-UHFFFAOYSA-N 446.956 5.479 30 10 IKEE N#Cc1ccccc1NC(=O)c1cccc(NC(=O)c2ccc(OCc3ccccc3)cc2)n1 1860566285 MEQYXUSMQOVSFN-UHFFFAOYSA-N 448.482 5.037 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(C(C)(C)C)cc2)n(Cc2ccccc2Cl)n1 1862365735 CDAABNINCMHIRW-UHFFFAOYSA-N 448.010 6.364 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862413288 ZEQOPVMYLIMPRT-HSZRJFAPSA-N 433.454 5.360 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@@H]2c2cccc(C)c2)cc1 1862429025 DHPUDUCTKODDDU-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@H]2c2ccccc2F)c1 1862430164 DKARMYVLNVLLHT-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(C(C)(C)C)cc1 1862435071 NOLKXMPFPIFOOX-OAQYLSRUSA-N 425.956 5.872 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2C2CCCCC2)c1 1862456668 XHZTWEXDFPATQF-NRFANRHFSA-N 429.438 5.323 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862489168 QRMFRCBSZMTMQN-RUZDIDTESA-N 447.575 6.003 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccccc2)c1 1862506816 WBVKIQUJBJQEAX-DEOSSOPVSA-N 445.490 5.311 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)ccc1F 1862508238 FIOJVALAWMDIDF-IBGZPJMESA-N 436.310 5.675 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccc2Cl)cc1 1862536077 QDKZKQSMJIBDOH-QHCPKHFHSA-N 449.909 5.820 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCC(C)C)c1 1862546825 GTVUTUZKIGDEIP-VWLOTQADSA-N 447.575 5.589 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cc(Cl)cc(Cl)c1)c1cccc(O)c1 1862598742 WAHCBFXRMUHXRR-LJQANCHMSA-N 432.303 5.220 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccccc2F)cc1F 1862639212 TUMSDWVTRZOHMX-NPMXOYFQSA-N 449.453 5.313 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc(O)c1 1862650278 RTKIEVNLAAFHDG-HGMMTPDKSA-N 441.527 5.702 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(C(C)C)cc2)=C(O)C(=O)N1C1CCCCCCC1 1862661049 BXFLRICTHWZJTD-SANMLTNESA-N 445.603 6.810 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1cccc(O)c1 1862699535 VCNRJXUOZDSYNE-XXBNENTESA-N 437.536 5.338 30 10 IKEE Cc1ccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3ccccc3C#N)C2=O)c(C)c1 1862804624 GXAUMDQBTQCNSF-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CCCOc1cccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(C)cc3)C2=O)c1 1862888465 PKKBJGWAVBIOBT-UHFFFAOYSA-N 437.499 5.052 30 10 IKEE C[C@H]1CCCC[C@@H]1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2cccc3ccccc23)C1=O 1863226498 YLKNRCNHDFPTPY-UUOWRZLLSA-N 435.527 5.482 30 10 IKEE CCCOc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 1863344331 ZWRPNZLKZFSUEF-WZONZLPQSA-N 443.547 5.118 30 10 IKEE CCCCCCCCNC1=C(c2cc(C)ccc2C)C(=O)N(Cc2ccccc2F)C1=O 1863738610 ZLZRWOKXYWWIEY-UHFFFAOYSA-N 436.571 5.673 30 10 IKEE C=CCOC(=O)c1sc(NC(=O)CCCSc2ccccc2)c(C(=O)OCC)c1C 1865740910 BNWYUNKJYBZBLI-UHFFFAOYSA-N 447.578 5.087 30 10 IKEE CCCCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 1865984798 JJSPILSAEDTIQJ-UHFFFAOYSA-N 431.602 5.742 30 10 IKEE COc1cccc(-c2nc(Nc3ccc(C#N)cc3)cc(N3CC(C)(C)c4ccccc43)n2)c1 1868516899 ZHXVTHJWHYYFJZ-UHFFFAOYSA-N 447.542 6.197 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N2C[C@H](C)O[C@@H](C)C2)nn1-c1ccccc1Cl 1869945981 ZKQXSVCPDBYZTK-ROUUACIJSA-N 448.011 5.223 30 10 IKEE N#Cc1nnn(-c2cccc(OCc3ccccc3)c2)c1NC(=O)c1ccc2ccccc2c1 1870147339 KCTINZSRXHCXBT-UHFFFAOYSA-N 445.482 5.123 30 10 IKEE CCCCCCCOc1cn(CCCCCC)c(CSc2ccc(C)cc2)cc1=O 1870260051 WRYZJCKKKCWJSU-UHFFFAOYSA-N 429.670 7.379 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(C)cc2)c(CNc2ccccc2C)cc1=O 1870839246 CSOFLEUICSESQI-UHFFFAOYSA-N 432.608 6.475 30 10 IKEE C=CCn1cc(OCc2c(C)cccc2C)c(=O)cc1CNc1cc(NC(C)=O)ccc1C 1870920242 KAKSWUPQAZAFSL-UHFFFAOYSA-N 445.563 5.109 30 10 IKEE CCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CNc1cccc(N(C)C)c1 1871059196 XUDGBYZYOPWRQT-UHFFFAOYSA-N 439.644 6.232 30 10 IKEE CCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(C)c(C)c1 1871253590 BXAHKKACUQQOKC-UHFFFAOYSA-N 429.564 5.718 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccccc1Cl)O3)CN(Cc1ccccc1F)CO2 1871346942 KYVHCOZNNLHNQZ-JJFYIABZSA-N 435.882 5.756 30 10 IKEE COc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN([C@H]2CCCC[C@H]2C)C4)cc1OC 1871351280 SBCIJSYXTSXHLF-JZJVAAIPSA-N 449.547 5.359 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OC(=O)/C(Cl)=C/c4ccccc4)cc(C)c3C2=O)c1 1871377552 QITKSGCPGOJBDX-GOIUUMNHSA-N 446.886 5.805 30 10 IKEE COc1ccccc1/C=C1\Oc2c(ccc(OC(=O)c3cccc4ccccc34)c2C)C1=O 1871377719 ARGCREOBSXQLHQ-XYGWBWBKSA-N 436.463 5.992 30 10 IKEE CC(C)(C)c1ccc(/C=C2\Oc3cc(OCCCOc4ccccc4)ccc3C2=O)cc1 1871397558 YPAAQDAVPYHXRV-ITYLOYPMSA-N 428.528 6.448 30 10 IKEE CCOc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccco2)C3=O)cc1 1871405205 ANAVUIBZQPHBFE-GLFIFPSUSA-N 433.460 5.009 30 10 IKEE Cc1ccc(CCOc2cc(C)c3c(c2)O/C(=C\c2ccc(Cl)cc2Cl)C3=O)cc1 1871437564 JHGBURVVBPICRD-FMCGGJTJSA-N 439.338 6.848 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O)Nc1nccs1 1871442441 NAKXPXVMSXQIJA-MFOYZWKCSA-N 447.299 5.084 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(C(C)C)cc2)[nH]c(N(CCC)CCC)n1 1871504809 KLVHEFLFTWIWOM-UHFFFAOYSA-N 440.680 6.559 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(CCCC)cc1)c1ccccc1)S(=O)(=O)CCCC 1871832836 FPPHOGBGQVRGCZ-DEOSSOPVSA-N 442.625 5.327 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccc(C(C)C)cc3)n2)cc1C 1872765809 XOIPMTINPQCMET-UWJYYQICSA-N 434.561 5.894 30 10 IKEE CC(C)c1csc([C@@H](C#N)C(=O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)n1 1872774373 OYAWBSPGDATGEA-INIZCTEOSA-N 449.919 5.211 30 10 IKEE CC(C)c1ccc(O[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3cccc4ccccc34)cs2)cc1 1872775610 VNQLVPXMIYFYDS-UUOWRZLLSA-N 440.568 6.730 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1C 1872783065 QRLQXPCHRYPTET-YUXAGFNASA-N 443.572 5.213 30 10 IKEE COc1cc(OC)c(-c2csc([C@H](C#N)C(=O)Cc3ccc(F)cc3F)n2)cc1Cl 1872783443 ZWLHZXDTTNGDJG-CQSZACIVSA-N 448.878 5.178 30 10 IKEE Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)s3)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1872788433 ZZSAKLYODZXTMP-NSHDSACASA-N 448.869 5.140 30 10 IKEE CCCCCCCCN1C(=O)C(NCC(C)C)=C(c2cccc(Br)c2)C1=O 1873053081 KDVBESDILHEYHL-UHFFFAOYSA-N 435.406 5.135 30 10 IKEE C=CCNC1=C(c2c(C)cc(C)cc2C)C(=O)N(C(c2ccccc2)c2ccccc2)C1=O 1873119490 ALZOHOQJCYUQGX-UHFFFAOYSA-N 436.555 5.257 30 10 IKEE C=CCN1C(=O)C(Nc2cc(C)cc(C)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422575 DMLVHFJLNQXTFU-UHFFFAOYSA-N 425.532 5.089 30 10 IKEE CCCCCCCCCCNC(=O)CCn1ccc2ccc(OCc3ccccc3)cc21 1873934901 CUTYVIRNMVRJGP-UHFFFAOYSA-N 434.624 6.867 30 10 IKEE C=CCSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1ccc(CC)cc1 1874206442 BSYSANPLXSKXPS-ZMOGYAJESA-N 447.391 5.887 30 10 IKEE CCCc1ccc(OCc2nnc(SC)n2/N=C/c2ccc(N(CC)CC)cc2)cc1 1874256750 QUNDEQOCJBELRC-KOEQRZSOSA-N 437.613 5.260 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc[nH]1 1874274835 OXSWOXHPHZPMPK-CVKSISIWSA-N 435.984 5.528 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2Cl)n1/N=C/c1cccc(OCC)c1 1874278813 FBGWTNFANDYKQR-MFKUBSTISA-N 441.000 5.666 30 10 IKEE Cc1cccc(/C=N/n2c(CCOc3ccccc3)nnc2SCc2ccccc2)c1 1874346148 AONZPFIUVKGBCV-NLRVBDNBSA-N 428.561 5.383 30 10 IKEE CCc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2cccc(F)c2)cc1 1874402163 LCLWCQIJBOEQDN-MTDXEUNCSA-N 444.579 5.939 30 10 IKEE C=C(C)CSc1nnc(CC2CCCCC2)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874407737 MXZBORPSCOQWMI-FSJBWODESA-N 434.993 5.319 30 10 IKEE Fc1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2c[nH]c3ccccc23)cc1 1874426356 DRTWBTLJWHADNE-JFLMPSFJSA-N 427.508 5.740 30 10 IKEE CCCN(CCC)C(=O)CSc1nnc(CC(C)(C)C)n1/N=C/c1ccc(CC)cc1 1874440077 HZTHBSCNEPPZGW-KOEQRZSOSA-N 443.661 5.052 30 10 IKEE Clc1ccc(/C=N/n2c(SCc3ccccc3)nnc2[C@@H]2CCCO2)c(Cl)c1 1874446032 QVBUSSMBTBGEOX-KCDOPAPYSA-N 433.364 5.611 30 10 IKEE Fc1ccccc1/C=N/n1c(SCc2c(F)cccc2Cl)nnc1[C@H]1CCCO1 1874451996 YHHJOWPDLHTWEI-SFQCIDFKSA-N 434.899 5.236 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2cccc(Cl)c2)nnc1C1CCCC1 1874457241 IBHIFROHPNKQHR-ZVHZXABRSA-N 426.973 5.772 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2ccccc2C)nnc1C(F)(F)F 1874458244 CVEPQGHHBWXSDV-DHRITJCHSA-N 432.471 5.345 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2-c2ccco2)cc1 1874463855 FQGNLCCKQWAPGA-YZSQISJMSA-N 445.592 5.867 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2-c2ccco2)c1 1874469232 UIWYTFNNZVUZPD-WYMPLXKRSA-N 426.904 5.814 30 10 IKEE CCCOc1ccc(/C=N/n2c(CC)nnc2SCc2ccc(C)cc2)cc1OCC 1874521651 DVRUVHAIRGVZNS-PCLIKHOPSA-N 438.597 5.511 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874527795 FYSQGQHLEFBBBZ-UFFVCSGVSA-N 436.324 5.230 30 10 IKEE COc1cc(/C=N/n2c(C)nnc2SCc2cccc3ccccc23)ccc1OC(C)C 1874532970 LJUVUTUXIKYRGI-CVKSISIWSA-N 446.576 5.710 30 10 IKEE COc1cc(/C=N/n2c(S)nnc2C2CC2)ccc1OCc1ccc(C(C)(C)C)cc1 1874558477 GNRQDFGVRUJRSI-AFUMVMLFSA-N 436.581 5.212 30 10 IKEE O=C(COc1ccccc1/C=C/C(=O)c1ccc(Cl)cc1Cl)Nc1ccccc1F 1874573375 KTTRMAGHCGKOOY-FMIVXFBMSA-N 444.289 6.046 30 10 IKEE Cc1ccc(C)c(COc2ccc3ccccc3c2/C=C/C(=O)c2ccc(C(C)C)cc2)c1 1874583335 ITLZTWGOPXFNKC-WUKNDPDISA-N 434.579 8.055 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(F)cc2)c1OCc1c(Cl)cccc1Cl 1874584213 CHGQJLITDYTWOR-JLHYYAGUSA-N 431.290 6.616 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccc(C)cc2)cc1Cl 1874591226 YZCOGXLMKOJRHM-JXMROGBWSA-N 427.327 6.786 30 10 IKEE CCOC(=O)c1ccc(COc2cccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)c2)o1 1874596906 JHRLASFNONNZDH-OQLLNIDSSA-N 432.516 6.229 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OCC(=O)Nc1cc(C)cc(C)c1 1874625545 JZYXNKBPEGNGOU-ONNFQVAWSA-N 433.479 5.365 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2OC)ccc1OCCc1ccccc1 1874632325 BZLIOZOOIIOXHD-GXDHUFHOSA-N 432.516 5.620 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1OC(=O)c1ccco1 1874697911 QNRHMQPXTMKNBY-VQHVLOKHSA-N 427.250 5.166 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC(=O)c1ccncc1 1874710883 LRVXSALMOKSWBD-SOFGYWHQSA-N 445.515 5.646 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OC(=O)CCc1ccccc1C 1874716418 QTOAWGFNCQOFSR-JLHYYAGUSA-N 442.555 6.363 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(OCC)cc2)CSc2nnc(CC)n21 1874837851 GKLZLSZJDLOQIL-FQEVSTJZSA-N 430.618 5.301 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3Cl)c(OC)c2)cc1 1875101849 SHPHBYATNVRJLM-GXDHUFHOSA-N 434.919 5.955 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)cc2)cc1[N+](=O)[O-] 1875114186 NLCXYAFRDNVMFO-MHWRWJLKSA-N 439.508 6.156 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)c2ccccc2Br)cc1 1875117416 DTTXCWACBASUJX-NTCAYCPXSA-N 437.289 5.573 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Cl)c(OC(=O)c2ccccc2F)c(OC)c1 1875118216 RAMINZJDEJDJPE-VAWYXSNFSA-N 440.854 5.612 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc(OC)c1OC(=O)C1CCC1 1875166952 WJXCKZNHJWPDLJ-ACCUITESSA-N 434.532 5.651 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2Cl)c1 1875175308 JCLSHUHNYOQZGP-DHZHZOJOSA-N 432.947 6.618 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccccn2)c(Cl)c1 1875180244 JOWLVLVZKRNKDV-SOFGYWHQSA-N 442.298 5.821 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)C3CCCC3)c(Br)c2)c(C)c1 1875183303 UTDDRDZQYJYHMM-CSKARUKUSA-N 441.365 6.366 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)ccc1OC(=O)C1CCC1 1875192679 WSBDBIVDECOVBX-SDNWHVSQSA-N 430.500 5.849 30 10 IKEE C=C(F)C[C@@H](NCCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875670952 GPHAPBQPDOGJSO-NAKRPHOHSA-N 449.566 6.120 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](O)c1ccc(Cl)cc1Br 1922067737 DJPFUBNHVCPWRQ-NHCUHLMSSA-N 438.793 5.277 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 2014118326 SRXZTSYLSOQUJU-DEOSSOPVSA-N 433.593 5.240 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1ccc(I)c(C)c1 2026132910 NVDYISPIOXEWBM-NRFANRHFSA-N 435.349 5.413 30 10 IKEE C=CCC1([C@H](NC)c2c(C)sc(C)c2Br)CN(C(=O)OC(C)(C)C)C1 2027383236 HXERGEDHPLCPNR-MRXNPFEDSA-N 429.424 5.201 30 10 IKEE Cc1ccc([C@@H](n2nc(C(C)C)c(C#N)c2I)C(C)(C)C)c(O)c1 2079140483 NJBDSVJHJVBMEX-QGZVFWFLSA-N 437.325 5.132 30 10 IKEE CCCCCC#CC[C@@H](NC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2083434250 QJJIVHRJINBRGT-SHQCIBLASA-N 442.644 5.392 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCCCCC1(F)F 2096454618 ZYVVCKRKBBQEGG-GOSISDBHSA-N 429.305 6.052 30 10 IKEE C=C1CC(C[C@@H](NCCC)c2cc(Br)ccc2I)C1 2125736875 ZPLPUWVJFGQTJQ-MRXNPFEDSA-N 434.159 5.451 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)C1(C#N)[C@H]2CC[C@H]3C[C@H]2CC[C@H]31 2205249910 ILLLXCXGGPUIKX-GLDHRYIUSA-N 431.374 5.909 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1sc(C)c(C)c1Br 2221826124 FOWYQGBLUHIIFC-GDBMZVCRSA-N 429.424 5.085 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Cl)cc([C@H](O)C#Cc2ccccc2Br)c1 2227484289 KGVJADARJUIGSB-GOSISDBHSA-N 436.733 5.535 30 10 IKEE C=C(F)C[C@H](NCCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229123937 PHVIYAYABWWJPO-ZWKOTPCHSA-N 429.374 5.126 30 10 IKEE C=CCCCC[C@@H](NC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229135582 VUEPTJDMHYYRQA-MOPGFXCFSA-N 425.411 5.219 30 10 IKEE COc1ccc(C(=O)C#Cc2ccccc2Br)c(NC(=O)OC(C)(C)C)c1 2235722654 KDNXCRZJSYZXSX-UHFFFAOYSA-N 430.298 5.039 30 10 IKEE CN[C@@H](C#Cc1ccccc1Br)C[C@@H](CC(C)(C)C)NC(=O)OC(C)(C)C 2235731845 XSVSIKXVKQYSPC-ROUUACIJSA-N 437.422 5.108 30 10 IKEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@@H](C#N)c1sc(Cl)cc1Br 2244952055 AUETVLJBEKHFRS-QMMMGPOBSA-N 433.677 5.528 30 10 IKEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)Nc1ccccc1OCc1ccccc1 2282116726 IMMSNHWMASRNKG-UHFFFAOYSA-N 443.352 5.126 30 10 IKEE CN[C@H](C#Cc1ccc(Br)cc1)CCCCCCCNC(=O)OC(C)(C)C 2296307462 UVZZJVUTYVVKCK-FQEVSTJZSA-N 437.422 5.254 30 10 IKEE COc1cccc(C(O)=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)(C)C)cc2)c1 2296559964 ILMUDAQOQIFPLP-QHCPKHFHSA-N 442.515 5.014 30 10 IKEE Cc1cc(C)c2c(N)c(C(=O)Nc3ccc(C(=O)C=Cc4cccs4)cc3)sc2n1 2297556863 ITSWMBFBGMIEJR-UHFFFAOYSA-N 433.558 5.705 30 10 IKEE C=CCN(C(=O)OC(C)(C)C)C1(C#N)CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 2307665869 KQABGWCDUKJSFX-SZTYLXMGSA-N 433.593 5.119 30 10 IKEE Cc1cc(C)cc(CN=C2NC(=O)C(=Cc3ccc(OCc4ccc(F)cc4)cc3)S2)c1 2313511315 ZXVDCOSNSZQGPO-UHFFFAOYSA-N 446.547 5.782 30 10 IKEE Cc1occc1C(=O)Nc1ccc(C(=O)C=Cc2ccc(-c3cccc(Cl)c3)o2)cc1 2314523086 ISKAIFNNTVYZSG-UHFFFAOYSA-N 431.875 6.650 30 10 IKEE N[C@@H](C#CC1CCC1)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2315708562 UYTZUXKGODWYJW-LSYYVWMOSA-N 427.544 5.009 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2318877793 OBLJZVNVNLIQSD-PWRODBHTSA-N 449.636 5.922 30 10 IKEE C=C(C)CSc1nnc(C2CC2)n1N=Cc1ccc(OCc2ccccc2)c(OC)c1 2320849981 QDFORFATFDVEDT-UHFFFAOYSA-N 434.565 5.294 30 10 IKEE Cc1ccc(COc2ccc(C=Nn3c(C)nnc3SCc3cccc(C)c3)cc2)cc1 2321109410 BXWJYXVKNBZRJH-UHFFFAOYSA-N 442.588 5.957 30 10 IKEE CCCCCCCCCCN1COc2ccc3c(c2C1)OC(=Cc1cccc(OC)c1)C3=O 2322130893 JGOSLYKWDVCWGJ-UHFFFAOYSA-N 449.591 6.604 30 10 IKEE CCCCCCCCCCN1COc2ccc3c(c2C1)OC(=Cc1ccccc1C)C3=O 2322131475 IYTOCRUVSWMTDE-UHFFFAOYSA-N 433.592 6.904 30 10 IKEE C[C@@H](c1ccc2c(c1)CCCC2)N1COc2ccc3c(c2C1)OC(=Cc1ccccc1)C3=O 2322256111 HDAZTOYSVDFOHU-IBGZPJMESA-N 437.539 6.095 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1 2322327831 HECFZLKJJQGFEX-UHFFFAOYSA-N 443.886 6.877 30 10 IKEE COc1cccc(C=CC(=O)c2cccc(Cl)c2)c1OCc1ccc(Cl)cc1Cl 2322527978 JHWCTQATCNPVOY-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3ccccc3c2C=CC(=O)c2ccc(C)cc2C)cc1 2322572613 OOQSVDZCIMTWPN-UHFFFAOYSA-N 449.550 6.679 30 10 IKEE O=C(Cc1cccs1)Oc1ccc2c(c1)OC(=Cc1cccc(Br)c1)C2=O 2322860654 AQOQFIIPCIIIDF-UHFFFAOYSA-N 441.302 5.275 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccccc2F)c2ccccc12 2323019016 FQYGMZSWBRYEBH-UHFFFAOYSA-N 446.905 7.116 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OCc3nc(O)c4ccccc4n3)c2)cc1 2323060725 USTXBHXJAJIOLY-UHFFFAOYSA-N 440.499 5.382 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)CCCOc4ccccc4C)ccc3C2=O)c1 2323173052 YBUOOTAVXISELS-UHFFFAOYSA-N 428.484 5.684 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O)c1cccc(F)c1 2323289074 OQHWGVFXKPSWHS-UHFFFAOYSA-N 436.438 6.328 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccccc1Cl)C2=O)c1cc(Cl)ccc1Cl 2323580955 FBRPOQYFYARAHP-UHFFFAOYSA-N 445.685 6.482 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)cc3C)c(Cl)c2)cc1 2323628222 HHSHKNSXIZCPLU-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE COc1cccc(C=NNc2nc(-c3ccc(F)cc3)cs2)c1OCc1ccccc1 2323858476 BXCHOJANACBNSQ-UHFFFAOYSA-N 433.508 5.983 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2323880005 FVSANAISAPNHED-UHFFFAOYSA-N 448.858 5.491 30 10 IKEE N#C[C@H](C(=O)C=Cc1ccc(Cl)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2324331679 HOJYQLSPZVMPDL-HSZRJFAPSA-N 440.955 7.020 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(Cl)c2)ccc1OCc1ccc(C)cc1 2324623289 AHIPYGWCWSWSGD-UHFFFAOYSA-N 436.935 6.531 30 10 IKEE COc1ccccc1C=Nn1c(Cc2ccccc2)nnc1SCc1ccc(C)cc1 2325470980 GAQFSQPVSXGJBZ-UHFFFAOYSA-N 428.561 5.360 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(OCC)cc1 2325532723 WBBVZRMCZMCNGW-UHFFFAOYSA-N 428.989 5.847 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccccc2)C3=O)cc1 2325614086 GVQGGRVSYOFGNJ-GOSISDBHSA-N 427.500 5.834 30 10 IKEE Cn1c(C(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)CCCC4)c2)cc2ccccc21 2325702243 RUKLXGCZHJCKDI-UHFFFAOYSA-N 435.523 6.172 30 10 IKEE CCN(CC)CCOc1ccc2c(c1C)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2325703509 PSJWEALSTHANAH-UHFFFAOYSA-N 427.544 5.999 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2cccc(Cl)c2)C3=O)c1 2325727356 PJEAGWIVUSNUBL-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(F)cc2)ccc2c1OC(=CC=Cc1ccccc1)C2=O 2325728468 DYDMXBDBMNYVOB-UHFFFAOYSA-N 429.447 5.324 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1cccc(C=CC(=O)c2ccc(C)cc2C)c1 2325736206 ONLIXHNMWRSEPU-UHFFFAOYSA-N 430.500 5.583 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)c3ccccc3Cl)c2)cc1C(C)C 2325753992 PXQOSIZLFVGPIU-UHFFFAOYSA-N 448.946 6.896 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2cccc(OC(=O)c3cccc(F)c3)c2)cc1Cl 2325759558 HYDAUBRQVYBUTJ-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)c(C)c1 2325764841 MISMUCWOSOAJBM-UHFFFAOYSA-N 429.472 5.944 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1Cl 2325769283 KNTXHEDXNLYTAW-UHFFFAOYSA-N 448.946 6.761 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc(Br)c1O 2325795054 RZBDTBWWXLKAOV-UHFFFAOYSA-N 425.278 5.852 30 10 IKEE C=CCSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1ccccc1F 2325913741 NJCKUTFBKKZKQK-UHFFFAOYSA-N 437.327 5.463 30 10 IKEE COc1ccc(OCCCc2nnc(SCc3ccccc3)n2N=Cc2ccco2)cc1 2326254018 UCHMLWMYHSTCHF-UHFFFAOYSA-N 448.548 5.066 30 10 IKEE CCSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc(N(CC)CC)cc1 2327942104 QYZZSPORPBEIJI-UHFFFAOYSA-N 442.032 5.557 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2Cl)n1N=Cc1cccc(OCC)c1 2327956737 FBGWTNFANDYKQR-UHFFFAOYSA-N 441.000 5.666 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2OC)n1N=Cc1cccc(Cl)c1 2328264079 CWLGTSFADCPECZ-UHFFFAOYSA-N 428.945 5.070 30 10 IKEE CCCOc1cccc(C=Nn2c(CCc3ccccc3OC)nnc2SCCC)c1 2328699719 KQHFLFLZLCYUBJ-UHFFFAOYSA-N 438.597 5.245 30 10 IKEE CCCCCCCCCOc1ccc(C=NN=c2[nH]c3ccccc3[nH]c2=O)c(Cl)c1 2328813944 ALLPUQAGDMIVHN-UHFFFAOYSA-N 440.975 5.574 30 10 IKEE Cc1cccc(OCc2nnc(SCc3ccccc3)n2N=Cc2cccc(F)c2)c1C 2328846849 JAURXZJQNPIRGO-UHFFFAOYSA-N 446.551 5.788 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2N=Cc2cccn2C)c1 2329404074 DKCAEZGYADVDOA-UHFFFAOYSA-N 429.593 5.307 30 10 IKEE C=CCSc1nnc(-c2ccccc2Cl)n1N=Cc1c(OC)ccc2ccccc12 2329591535 WSHNRTCACSNBCO-UHFFFAOYSA-N 434.952 5.921 30 10 IKEE COc1ccccc1C=Nn1c(SCc2ccccc2)nnc1[C@@H](C)c1ccccc1 2330104979 UVGVOHYCYKYODV-IBGZPJMESA-N 428.561 5.613 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2)c([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 2330602098 LVEFINSGCGKFPR-UHFFFAOYSA-N 449.462 6.377 30 10 IKEE Fc1cccc(C=Nn2c(SCc3cccc4ccccc34)nnc2-c2ccccc2)c1 2330683789 ZPQIFVGGOCNINS-UHFFFAOYSA-N 438.531 6.412 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1cc(C)cc(C)c1 2330705255 MBLXBWHENAXLOB-UHFFFAOYSA-N 440.539 6.306 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(CC)cc2)cc(OC)c1OC(=O)c1cccc(F)c1 2330767783 HNQNYSWHHLLUQU-UHFFFAOYSA-N 444.502 6.241 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccs3)c([N+](=O)[O-])c2)cc1 2330833703 LUFFTTVIHOZZCU-UHFFFAOYSA-N 435.501 6.114 30 10 IKEE COc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCCc2ccccc2)cc1OC 2330854595 ORHGVEYXPFCRCF-UHFFFAOYSA-N 438.597 5.101 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3OC)c(Cl)c2)cc1C 2330862785 IVEOWISAWYORRQ-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE Cc1ccc(CSc2nnc([C@@H]3CCCO3)n2N=Cc2c(Cl)cccc2Cl)cc1 2330888730 RBGIFQUIDKLKMI-IBGZPJMESA-N 447.391 5.919 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Br)cc2)ccc1OC(=O)C1CCC1 2330894287 LZBRJYAIFVSKSS-UHFFFAOYSA-N 429.310 5.449 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2cccc(Br)c2)cc1Cl 2331002327 DYMRPHLKLVRDLC-UHFFFAOYSA-N 449.772 6.874 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2[N+](=O)[O-])cc1 2331030833 ASLHRHXHDDVMTN-UHFFFAOYSA-N 446.415 5.181 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1cccc(OC)c1 2331130117 USGZWINMGLMGRI-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE Fc1ccccc1CSc1nnc(C(F)(F)F)n1N=Cc1c(F)cccc1Cl 2331138106 PXUXVMLQWVHIPY-UHFFFAOYSA-N 432.805 5.403 30 10 IKEE Cc1ccsc1C(=O)Oc1ccc(C=CC(=O)c2ccccc2)cc1Br 2331168029 MKUXKOZCKQXDQF-UHFFFAOYSA-N 427.319 5.934 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CSc3ccccc3)c(OC)c2)cc1 2331212961 WLDIVFAIGZQRPV-UHFFFAOYSA-N 448.540 5.688 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1 2331240035 IUYWQCMQRUBFJM-UHFFFAOYSA-N 425.311 6.671 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1N=Cc1sccc1C 2331320110 IRJUPSNVIZPLOD-UHFFFAOYSA-N 441.626 5.220 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)CCc1ccccc1 2331326947 UFVYERMMDKIPRM-UHFFFAOYSA-N 428.528 6.136 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)cc(Cl)c1OC(=O)CC(C)C 2331362597 GHJWWYUPIVNRSY-UHFFFAOYSA-N 430.928 5.903 30 10 IKEE Fc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CCC2)c(F)c1 2331534531 WJZUGULCXIYPFR-UHFFFAOYSA-N 434.515 6.152 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(N(C)C)cc3)cc2)c1C 2331644927 YOGCLRHABMGHRL-UHFFFAOYSA-N 427.544 6.102 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3ccccc3Cl)nnc2C(C)C)c1 2331701458 CAHBAIJLSXXXOQ-UHFFFAOYSA-N 428.989 6.018 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OCC)cc2OCC)cc1[N+](=O)[O-] 2331735425 QPXIGIZRYVDBCA-UHFFFAOYSA-N 441.480 5.384 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc(OC)c1OC(=O)C(C)C 2331752133 BPXVIJFICFUIBO-UHFFFAOYSA-N 442.939 5.852 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)c1ccco1 2331801050 RLMWATHHZXOPOG-UHFFFAOYSA-N 432.516 6.400 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1C 2331835385 BKISVBLOQVFSMD-UHFFFAOYSA-N 444.571 6.330 30 10 IKEE C[C@H](Nc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1)c1cc(Br)cs1 2339391321 SWCGDEQYSLBWRA-JTQLQIEISA-N 443.603 5.031 30 10 IKEE CCCN[C@@H](C#Cc1nc(C)cs1)c1scc(Br)c1Br 2363731509 ZZNFEHRXMJUUMZ-NSHDSACASA-N 434.222 5.130 30 10 IKEE Cc1c([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)ccc(Cl)c1Cl 2366024190 RTWKLWMBGURDOQ-KRWDZBQOSA-N 425.743 6.962 30 10 IKEE C=CCCCCCCCCC[C@@H](O)c1sc(Cl)cc1I 2366701969 NLXWKMPQZWMMOJ-CQSZACIVSA-N 426.791 6.736 30 10 IKEE Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@H]3c2ccc(Cl)cc2)cc1 19630869 NSFXZRIULSZWTK-BCHFMIIMSA-N 439.946 6.414 30 10 IKEE CC(C)Oc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(C(C)(C)C)cc1)C2 21221305 BTXVZVVHDLRGCK-DENIHFKCSA-N 431.576 5.776 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OC(C)C)cc2)C3)cc1 21241912 CUCAYPHIBYVIMI-OFNKIYASSA-N 433.548 5.267 30 10 IKEE COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2cccc(C)c2)cc1OC 28052527 TWCIAMNXLKVWJP-MHECFPHRSA-N 430.504 5.267 30 10 IKEE N#Cc1cccc(CN2CCCN(c3ccc(NC(=O)OCc4ccccc4)cc3)C2=O)c1 34734340 DMZHJNLFOGNYKA-UHFFFAOYSA-N 440.503 5.139 30 10 IKEE COc1ccc(C(=O)/C=C\c2ccccc2OC(=O)N(c2ccccc2)c2ccccc2)cc1 34955755 SVCLXXKSDFWBAB-UZYVYHOESA-N 449.506 6.928 30 10 IKEE Cc1ccc(C(C)C)c(OCC(=O)c2c(C)c(C#N)c(=O)n([C@H](C)c3ccccc3)c2O)c1 38623295 CHEXYZOEVGMDCF-LJQANCHMSA-N 444.531 5.037 30 10 IKEE CCCCCOc1ccc(CN2C(=O)/C(=N\O)c3cc(Br)cc(C)c32)cc1 39854017 UYICDUQZKXFDRQ-NMWGTECJSA-N 431.330 5.052 30 10 IKEE Cn1cc(/C=C2\Oc3c(ccc4c3CN(Cc3cccs3)CO4)C2=O)c2ccccc21 41661791 FAPSTXHTMBQVQQ-KSEXSDGBSA-N 428.513 5.208 30 10 IKEE Cc1cccc([C@@H]2C3=C(CCCC3=O)Nc3c(C(=O)Nc4ccc(C)c(C)c4)cnn32)c1 64775585 PJGBDQYDPQSIBK-XMMPIXPASA-N 426.520 5.083 30 10 IKEE CCCCCCCOc1ccc(NCC(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)cc1 100077575 GVIHOHNSTLSFSQ-VWLOTQADSA-N 440.584 5.644 30 10 IKEE CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@H](C)c1ccccc1 100461926 UNZFWOPZQAQEBQ-MUUNZHRXSA-N 443.760 9.686 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(NCCC(C)C)c1[N+](=O)[O-] 101479392 VTWCGYQCYGJRIZ-UHFFFAOYSA-N 449.684 7.736 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(Nc2ccccc2C)c1N 101531595 UGXANTJJBABPRN-UHFFFAOYSA-N 439.692 8.004 30 10 IKEE CCCCCCCCCn1c(CCCNC(=O)c2ccccc2OC)nc2ccccc21 102150181 AMUPLEAANLKYAS-UHFFFAOYSA-N 435.612 6.158 30 10 IKEE CCCCCCCCCCCCCC(=O)N(CC(=O)Nc1nc(C)c(C)s1)C(C)C 103000661 QBBCVGARCAKNOM-UHFFFAOYSA-N 437.694 6.637 30 10 IKEE CCCCCCCCCCCCCC(=O)N(CC(=O)Nc1ccon1)C[C@H]1CCCO1 103000668 CLZPIKHJUYLPIC-OAQYLSRUSA-N 435.609 5.322 30 10 IKEE CCCCCCCCCCCC(=O)Nc1ccc(-c2nc3cc4ccccc4cc3[nH]2)cc1 105549685 UWDDAEOGHYOTGX-UHFFFAOYSA-N 441.619 8.243 30 10 IKEE CCCN1C(=S)N[C@H](c2cccc(OCc3ccccc3Cl)c2)C(C(C)=O)=C1C 169930142 IEKUYQDTLNWXNK-JOCHJYFZSA-N 428.985 5.423 30 10 IKEE CN1C(=S)N[C@@H](c2ccccc2OCc2ccc(Cl)c(Cl)c2)C2=C1CCCC2=O 169936867 WBRFLWCLCOTFJV-NRFANRHFSA-N 447.387 5.441 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2C)[C@@H]1c1ccncc1 170018961 DXLDJFPGKNRTJF-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CCCCCCCCN1C(=O)C(SC(C)C)=C(c2ccc(Cl)cc2Cl)C1=O 170065341 WDPYMGBKGLYNRD-UHFFFAOYSA-N 428.425 6.575 30 10 IKEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2ccco2)cc1 170097045 NJFKLYHJDTWMAH-QHCPKHFHSA-N 431.488 5.074 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@H]2c2cccs2)cc1 170156994 AGSLNRJUDDWYKB-QHCPKHFHSA-N 447.556 5.882 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2cccs2)cc1C 170157461 GJBZUEKUKOHLEP-QFIPXVFZSA-N 449.528 5.334 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2cccnc2)cc1 170185954 RIMPOLVWEJYKJH-RUZDIDTESA-N 434.495 5.580 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccccc2)c1C 170225951 CVPVJXDSSIKFSE-SANMLTNESA-N 433.507 6.240 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(F)cc1 170243997 CUCULAMLAIDBOT-HXUWFJFHSA-N 429.875 5.009 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(C(C)C)cc1 170245529 AGRMRWQUIBKWHD-HXUWFJFHSA-N 442.353 5.561 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1F)c1ccc2c(c1)CCCC2 170249088 XCKKPWYLAUIXFA-XMMPIXPASA-N 427.475 5.487 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccc(O)c2)cc1C 170258673 KXNGJXRPEWMBCX-DEOSSOPVSA-N 443.499 5.109 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@H]1c1ccc(CC)cc1 170268149 FVYBNIKNHLIXBQ-JOCHJYFZSA-N 441.955 5.680 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1CCCOC(C)C 170278174 CFWKMPRIANQFIN-VWLOTQADSA-N 443.543 5.542 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccco2)cc1 170281095 JHIJLQBAHKGJLY-RUZDIDTESA-N 437.495 6.339 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccco2)cc1 170285305 SSYZCTSVCPSGHM-DEOSSOPVSA-N 439.467 5.614 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1sccc1C 170314979 BIDRSWSBTLHLBZ-JOCHJYFZSA-N 445.584 6.445 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCC)c1 170323605 BECMXAYCIVVFJV-DEOSSOPVSA-N 429.516 5.617 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccc(OCC)c2)cc1 170364804 ZRGRQGLTZKLPFJ-XMMPIXPASA-N 443.499 5.267 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc(Nc3ccccc3)cc2)[C@@H]1c1ccc(O)cc1 170449910 MCDNLIQXWZCESM-HSZRJFAPSA-N 442.515 5.651 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1ccc(O)cc1 170451595 ZAGGKEMAQULVGE-IBGZPJMESA-N 442.924 5.171 30 10 IKEE N#Cc1ccc(Sc2nnc(-c3ccccc3)n2-c2ccc(F)cc2F)c([N+](=O)[O-])c1 247659215 REEWBBMJOBNDGK-UHFFFAOYSA-N 435.415 5.144 30 10 IKEE CCOc1cc(/C=C2/SC(=Nc3ccc(OC)cc3)N(CC(C)C)C2=O)ccc1O 252595567 CCIADQUOKKTSCR-ZIHRUFSKSA-N 426.538 5.060 30 10 IKEE COc1ccc(/C=C2\SC(=Nc3ccccc3)N(CCc3ccccc3)C2=O)c(C)c1 252628547 SSOHTJSQYFYSSO-MMKHHPBPSA-N 428.557 5.850 30 10 IKEE CCCCOc1ccc(C=NNc2nc(-c3ccccc3)cc(-c3ccccc3O)n2)cc1 252630875 VFLYQKHOKFQGFC-UHFFFAOYSA-N 438.531 6.141 30 10 IKEE C=C1/C(=C/C=C2/CCC[C@]3(C)C([C@H](C)C/C=C\C(O)(CC)CC)=CC[C@H]23)C[C@H](O)C[C@@H]1F 256429092 LRLWXBHFPGSUOX-AEXZHQQFSA-N 442.659 7.158 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@@H]2c2cccc(Cl)c2Cl)cc1 526490816 ZKKSCBHVQGXANM-NRFANRHFSA-N 439.273 6.061 30 10 IKEE CCCCOc1ccc([C@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526608354 IHNZSZKYMTZNMK-SANMLTNESA-N 438.527 6.103 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(Sc2ccccc2)C1=O 526656908 GVRMYOXIOHXMBM-UHFFFAOYSA-N 445.931 5.509 30 10 IKEE Clc1cccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccccc2)c1 526800699 WKABFTATKLZMMX-ONUIUJJFSA-N 432.980 5.891 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(CCCOCC)Cc2ccc(C#N)cc2)cc1 586181503 OFFVWODHETZJAU-UHFFFAOYSA-N 442.625 5.299 30 10 IKEE CC(C)(C)OC(=O)N1CCC([C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)CC1 698828085 NATZPIZJCSFAJM-XMMPIXPASA-N 447.551 5.497 30 10 IKEE CC(C)(C)OC(=O)N1CCC([C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)CC1 698887748 ZLSSXNLZKLYPNT-XMMPIXPASA-N 447.551 5.497 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CC[C@@H]2COCC[C@H]2C1 723661406 FSMHVGWCLLWQEM-GCKMJXCFSA-N 435.362 5.290 30 10 IKEE CC[C@H](Oc1ccccc1/C=C1/S/C(=N/c2ccc(C)cc2O)N(CC)C1=O)C(C)=O 1614236218 BTMPEGZVTWFTBJ-ZMADGNTCSA-N 438.549 5.071 30 10 IKEE CCOc1ccc(/C=C2/SC(=Nc3ccccn3)N(C3CCCCC3)C2=O)cc1OC 1772732164 UVINSXYRVNYRLD-NUPZHTTHSA-N 437.565 5.426 30 10 IKEE Cc1ccc(COc2cccc(/C=C3\SC(=Nc4cccnc4Cl)N(C)C3=O)c2)cc1 1772736204 KRTRUILYMWROQJ-PAMLCIOASA-N 449.963 5.856 30 10 IKEE C=C(C)Cc1c(C)nn(CCC(=O)NCC2(Cc3nc4ccccc4[nH]3)CCCCC2)c1C 1860305214 PGNKAKVFQYBNKT-UHFFFAOYSA-N 447.627 5.194 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC(C)C)NC(=O)CCc1ccc(Cl)cc1 1861109429 OSPCDKHGFUGWSO-HSZRJFAPSA-N 437.068 6.060 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOCC)[C@H]2c2ccc(CC)cc2)cc1 1862391319 XXUPTTKCORXSII-VWLOTQADSA-N 449.591 5.597 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2cccc(F)c2)cc1C 1862402215 TVRICZUMOPFOAW-QHCPKHFHSA-N 437.511 5.444 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 1862481047 VSTGNYKJCKEHRQ-XMMPIXPASA-N 440.543 5.466 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccc2ccccc12 1862666649 JAGPRMVJPDGUEP-VWLOTQADSA-N 427.544 6.198 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2C2CC2)cc1 1862725863 TWJIKDUNHLEWRW-XMMPIXPASA-N 425.484 5.103 30 10 IKEE CC(C)c1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(F)cc3)C2=O)cc1 1862768543 SAEJHFOFBHJBIV-UHFFFAOYSA-N 425.463 5.217 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccccc2)=C(c2ccc(Cl)cc2)C1=O 1863167463 RLAYOHBVFFUGHN-UHFFFAOYSA-N 438.999 6.673 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(OCCC)cc2)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863279966 JAEICEWKGWYGET-UHFFFAOYSA-N 431.319 5.160 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(C(C)C)c(C)c2)=C(c2cc(Cl)ccc2Cl)C1=O 1863388967 ARKUJGQFRKXEAB-UHFFFAOYSA-N 429.347 5.803 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(OC)c2)=C(c2ccccc2Cl)C1=O 1863436924 NFELKPXDRMGMAW-UHFFFAOYSA-N 440.971 5.901 30 10 IKEE CCCCCCCCn1cc(OCC(=O)N[C@@H](C)CC)c(=O)cc1CSC(C)(C)C 1870291969 ORTHCUIVTDEDQH-IBGZPJMESA-N 438.678 5.534 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2)c(=O)cc1CN1C[C@H](C)C[C@@H](C)C1 1870468667 OAYQRKLLWTXNOU-DNQXCXABSA-N 438.656 6.266 30 10 IKEE CCCCCCCCn1cc(OCC2CCCCC2)c(=O)cc1CN1CCN(CC)CC1 1870483222 MZIRBIGBWIUFNI-UHFFFAOYSA-N 445.692 5.305 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCC)c(=O)cc1CNc1ccc(C)cc1C 1871148892 ZZXUCCVFVKFORB-UHFFFAOYSA-N 442.600 5.380 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Oc1ccc(C)cc1Br)c1ccccc1 1871276399 FPMJPMLBIHGJIF-QFIPXVFZSA-N 432.402 6.354 30 10 IKEE CCCCC[C@H](CC)N1COc2c(cc3c(c2C)O/C(=C\c2sccc2C)C3=O)C1 1871353574 UFOHUOUBNHLYJL-IAFWPLRWSA-N 425.594 6.492 30 10 IKEE Cc1cc(OC(=O)C(c2ccccc2)c2ccccc2)cc2c1C(=O)/C(=C/c1ccccc1)O2 1871371788 JFFUYVYCOVELMQ-ITYLOYPMSA-N 446.502 6.349 30 10 IKEE Cc1c(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(F)c2)C3=O)cccc1[N+](=O)[O-] 1871373814 UYIKRJVAUZTEBP-MTJSOVHGSA-N 433.391 5.186 30 10 IKEE CCCOc1ccccc1/C=C/C(=O)Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O 1871376067 RGJPNOXBRIHFNT-YXTGAXEWSA-N 444.458 5.850 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OC(=O)/C=C/c3ccc(C(C)C)cc3)cc(C)c2C1=O 1871379693 KIHKFFVMZRNCJV-BVRFCPFQSA-N 438.523 6.662 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)c1 1871387206 JZRXPRBKRSQNSU-MYYYXRDXSA-N 442.511 6.218 30 10 IKEE C=CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 1871389821 PTZIKGHGHCGSNZ-UCQKPKSFSA-N 430.431 5.534 30 10 IKEE CC(C)=C1Oc2c(ccc(OC(=O)c3cccc(OC(=O)c4ccccc4)c3)c2C)C1=O 1871391958 MYFQTFZKJJBGJE-UHFFFAOYSA-N 428.440 5.302 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCCc4ccccc43)C2=O)cc1 1871395602 XUGYIZOJRHBTFI-XYGWBWBKSA-N 427.500 5.360 30 10 IKEE C[C@H](NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O)c1ccccc1 1871424623 PQRNKIMALWOOOI-YOBACFSGSA-N 433.891 5.212 30 10 IKEE CCCCCCCCCOc1ccc2c(c1C)O/C(=C\c1cc(OC)ccc1OC)C2=O 1871429365 DEYYECDIVFCOCE-BWAHOGKJSA-N 438.564 6.758 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2c(c1C)O/C(=C\c1c(F)cccc1Cl)C2=O 1871431373 XDCFLGVNTJQJHI-BKUYFWCQSA-N 445.918 5.431 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O 1871453720 ODDLBIBJVHLVPS-UUYOSTAYSA-N 437.854 5.421 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccccc4F)c3C)C2=O)cc1 1871460148 XVRJWHPXBTZMDX-UCQKPKSFSA-N 447.462 5.167 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4cc(C)ccc4C)c3C)C2=O)c1 1871460271 CZZWPHGDCDUTSD-OYKKKHCWSA-N 443.499 5.254 30 10 IKEE C=CCN=c1nc(N(CCCC)CCCCCC)[nH]c(=Nc2cc(Cl)ccc2C)[nH]1 1871511834 TUTIYIHDLJZZRA-UHFFFAOYSA-N 431.028 5.206 30 10 IKEE CCCCCCCCCCN=c1nc(N(C)CCCC)[nH]c(=Nc2cccc(C)c2C)[nH]1 1871594841 VDXFRTKUXZEGOQ-UHFFFAOYSA-N 440.680 5.865 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cccc(C)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1872266950 ARHHHCZRRHQANK-PGRDOPGGSA-N 449.016 5.269 30 10 IKEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(Cc2ccccc2)cc1)S(=O)(=O)CCCC 1872282430 YEZNDOMBDAYYFS-DEOSSOPVSA-N 442.625 5.003 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 1872452721 KJRWAXVTUVURJN-QFIPXVFZSA-N 449.016 5.269 30 10 IKEE N#C[C@H](C(=O)/C=C/c1ccc(Cl)c(Cl)c1)c1nc(-c2ccc3ccccc3c2)cs1 1872760218 JVHMXTNSFGQGCQ-ZAOIQFLMSA-N 449.362 7.160 30 10 IKEE N#C[C@H](C(=O)c1ccc(-c2ccccc2)cc1)c1nc(-c2ccc3ccccc3c2)cs1 1872760833 YQWLMTSTIARRGX-RUZDIDTESA-N 430.532 7.120 30 10 IKEE Cc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(F)c(F)c3)cs2)c(C(C)(C)C)c1 1872779206 DREMWBNUJLUFDM-MRXNPFEDSA-N 440.515 5.950 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)/C=C\c3ccc4c(c3)OCCO4)n2)cc1C 1872787136 BPJVBKBPSAFNLI-GJEJWFRCSA-N 446.528 5.096 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc(COc2ccc([N+](=O)[O-])c(C)c2)cc1 1872860969 OUISLTYTGIQYED-UHFFFAOYSA-N 426.557 6.353 30 10 IKEE C=CCn1c(-c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)nc2ccccc21 1873519582 AANHAKFHIWXYFP-UHFFFAOYSA-N 439.342 6.784 30 10 IKEE N#Cc1cccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)C23CCCCC3)c1 1873866902 NGHCAISYAMDAGP-DEOSSOPVSA-N 427.548 5.382 30 10 IKEE Clc1cccc(CSc2nnc(COCc3ccccc3)n2/N=C/c2ccco2)c1 1874354692 XDRWEBNDLWUXEL-ZMOGYAJESA-N 438.940 5.416 30 10 IKEE Cc1cccc(/C=N/n2c(CCc3ccccc3C)nnc2SCc2ccccc2C)c1 1874361447 URQONXOMYBKRJU-MTDXEUNCSA-N 440.616 6.163 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1cccc(OC)c1OCC 1874365885 ZMPXCPCOHMRDJE-ZMOGYAJESA-N 442.972 5.556 30 10 IKEE Cc1ccsc1/C=N/n1c(SCC(=O)OCC(C)C)nnc1-c1ccccc1Cl 1874368042 LJULMGFGEPLFTE-LSHDLFTRSA-N 449.001 5.142 30 10 IKEE C(=N/n1c(SCc2ccccc2)nnc1-c1cccs1)\c1cccc2ccccc12 1874422385 JDTHKEDVBUOMSY-PCLIKHOPSA-N 426.570 6.334 30 10 IKEE Cc1ccc(CSc2nnc(CC(C)(C)C)n2/N=C/c2ccccc2OC(C)C)cc1 1874435448 HNFNPKIOFJAZLP-WGOQTCKBSA-N 436.625 6.137 30 10 IKEE Cc1ccccc1CSc1nnc([C@@H]2CCCO2)n1/N=C/c1c(Cl)cccc1Cl 1874443749 KFWGFIADFQRAIV-OGBFJMLUSA-N 447.391 5.919 30 10 IKEE Fc1ccccc1CSc1nnc([C@@H]2CCCO2)n1/N=C/c1c(F)cccc1Cl 1874446207 VPALEACVXKJZCE-DAFNMPDCSA-N 434.899 5.236 30 10 IKEE Oc1ccc(Cl)cc1/C=N/n1c(SCc2ccccc2Cl)nnc1[C@H]1CCCO1 1874449276 YGKLDKQAFHQELH-TYLRVVQJSA-N 449.363 5.317 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2ccccc2F)nnc1C1CCCC1 1874455907 PTLIDBPWSNKSDZ-WGOQTCKBSA-N 436.556 5.814 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccccc1OC(C)C 1874476014 DSAIEHFGDDHNNL-MFKUBSTISA-N 443.016 6.236 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccccc1OC 1874511447 YLZQSYHNVROWEC-FSJBWODESA-N 435.380 5.721 30 10 IKEE CCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1/N=C/c1ccc(Cl)cc1Cl 1874524367 KTYLCCGQDNPDCB-FOKLQQMPSA-N 448.379 5.069 30 10 IKEE CCCCOc1ccc(/C=N/n2cnnc2SCc2ccccc2F)cc1OCC 1874538395 CSMDTDSSDLCFQH-AFUMVMLFSA-N 428.533 5.169 30 10 IKEE CCCCc1nnc(S)n1/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 1874559481 UUHDGBHMRLCKQS-FSJBWODESA-N 435.380 5.677 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(C)cc2C)c1OCc1ccc(Cl)cc1 1874578781 GPFPFEQULCILGR-YRNVUSSQSA-N 441.354 7.094 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2cccc(C)c2)c(C)c1C 1874586213 BBUKYDNKFOPRRK-WYMLVPIESA-N 429.516 5.534 30 10 IKEE COc1c(Br)cc(/C=C/C(=O)c2cccc(Cl)c2)cc1Br 1874612076 AVUMFEHLWUMKSG-AATRIKPKSA-N 430.523 5.770 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OCC)cc2)cc(OC)c1OCc1cccc(C)c1 1874615288 POQMIXGIYZRSKS-LFIBNONCSA-N 442.555 6.606 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2OC)o1 1874617626 MARBUXZOVWZEFW-YRNVUSSQSA-N 434.488 5.557 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)cc(Cl)c1OCCCO 1874636015 FSROJCLGOWZNTA-FNORWQNLSA-N 425.308 5.058 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OC(=O)COc1ccc(C)cc1C 1874698430 WHBDXKGQEUYPEU-ZRDIBKRKSA-N 446.499 5.201 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccc(C)c(C)c2)c1 1874710143 VFBHVYHQEYRZNI-SDNWHVSQSA-N 442.555 6.725 30 10 IKEE COc1cc(C(=O)/C=C/c2cccc(OC(=O)CCCSC)c2)c(OC)cc1Cl 1874712230 UUKAVRFJVKXTSK-MDZDMXLPSA-N 434.941 5.302 30 10 IKEE COc1ccccc1OCC(=O)Oc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC 1874713742 LWGQEZPWCHYGOK-JLHYYAGUSA-N 446.499 5.201 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OC(=O)Cc1ccc(F)c(C)c1 1874716272 KUKKSMPVXWMSSC-JXMROGBWSA-N 446.518 6.112 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)c1ccc(C)c([N+](=O)[O-])c1 1875127855 BHRALZHOQIAUJN-ZRDIBKRKSA-N 447.443 5.036 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC3CCCCC3)c(Cl)c2)cc1 1875129478 DZLUUUCARBHNRW-RIYZIHGNSA-N 426.940 6.511 30 10 IKEE COc1cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2)cc(OC)c1OC 1875131091 HSUPLGAJMAEJPZ-UKTHLTGXSA-N 446.499 5.445 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)CCCOc3ccc(Cl)cc3)cc2)c1 1875138032 MSPOLNJBDDQKNL-CXUHLZMHSA-N 448.946 6.618 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)c1ccccc1C 1875140602 ODRPMCTULKQYKG-OUKQBFOZSA-N 448.946 6.779 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1cccs1 1875149438 QCSNOGFOQNXLGB-RIYZIHGNSA-N 434.557 6.560 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)c1ccco1 1875157022 OGUORDHTTNYYLF-NTEUORMPSA-N 430.500 6.255 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)c(C)c1 1875182377 AGXLOKOOGPQOIZ-IZZDOVSWSA-N 449.890 6.289 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3Br)cc2)c(C)c1 1875182715 QZZASFDBGFNXLT-JLHYYAGUSA-N 449.344 6.490 30 10 IKEE C=CCC[C@@H](C)SC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1883385545 ZWGDSZOXMNKMKK-ZHRRBRCNSA-N 425.550 5.066 30 10 IKEE N#Cc1cncc(C2=CCN(C(=O)c3cccc(Oc4ccc(C(F)(F)F)cc4)c3)CC2)c1 1891416569 BENBNQDVNHVVLM-UHFFFAOYSA-N 449.432 5.694 30 10 IKEE N#Cc1cccc(S(=O)(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 1892421644 UQUKVRYZSVKQME-UHFFFAOYSA-N 433.316 5.245 30 10 IKEE C=CCC[C@H](COc1ncc(Br)cc1C(F)(F)F)NC(=O)OC(C)(C)C 1903152626 VWJRBSJJEHHOOR-GFCCVEGCSA-N 439.272 5.101 30 10 IKEE C[C@@H]1[C@@H](Nc2cc(Br)c(C#N)cc2F)CC(C)(C)CN1Cc1ccccc1 1916261914 XELIGTSBDUBRSA-VFNWGFHPSA-N 430.365 5.561 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1cccc2c1CCN(C(=O)OC(C)(C)C)C2 1922113677 SXWIBNOIDPGVMA-VWLOTQADSA-N 436.596 5.403 30 10 IKEE C#CCN(CC(C)C)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC 1984782841 OUMMZBHGBQLPQR-FNZWTVRRSA-N 446.591 5.058 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H]1CCC2(CCC2)N(C(=O)OC(C)(C)C)C1 2014026021 MCYDLPNUJILPCY-PKTZIBPZSA-N 428.617 5.307 30 10 IKEE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(C)cc1 2032559744 AKJKGCKHBMWJGM-UQBPGWFLSA-N 443.588 5.666 30 10 IKEE COc1cc(C(=O)C(=Cc2ccc(F)cc2)c2nc3ccccc3[nH]2)cc(OC)c1OC 2040458875 KTRNYPRSSCPNEQ-UHFFFAOYSA-N 432.451 5.151 30 10 IKEE C[C@@H]1C[C@@](C#N)([C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CO1 2071349397 OAHFVZQEBAROOG-PHXCCWLDSA-N 429.516 5.197 30 10 IKEE CC(C)(C)[C@H](c1ccc(C2CC2)cc1)n1nc(C(F)(F)F)c(C#N)c1Br 2079086943 CIDXMCGJCKZDKN-INIZCTEOSA-N 426.280 6.049 30 10 IKEE Fc1ccc(C(F)(F)F)cc1-n1nc(C2CCC2)c(C(F)(F)F)c1Br 2079827761 WEWAAANIFLPOGI-UHFFFAOYSA-N 431.149 6.079 30 10 IKEE CC(C)(C)[C@H](c1ccc(C2CCC2)cc1)n1nc(C2CC2)c(C=NO)c1Br 2079952554 JWPQOQDDTHBSQN-FQEVSTJZSA-N 430.390 6.234 30 10 IKEE CC(C)(C)n1nc(C(F)(F)F)c(-c2ccc(C(F)(F)F)c(F)c2)c1Br 2080795022 WVVDCHVNWJDCBL-UHFFFAOYSA-N 433.165 6.244 30 10 IKEE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1C#N 2117994371 FOTGNZLJJPKJIH-JIMJEQGWSA-N 447.623 5.879 30 10 IKEE C=CCCCC[C@@H](NCCC)c1cc(Br)ccc1I 2123088014 GKBOOPGUYHFUND-MRXNPFEDSA-N 436.175 5.841 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](CNc2ccc(Br)cc2C#N)(C(C)(C)C)C1 2162291625 OPGCZJJBPUUNNC-OAQYLSRUSA-N 436.394 5.406 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](CNc2cc(Br)cc(C#N)c2)(C(C)(C)C)C1 2162291821 QVGURWAXSVANDS-NRFANRHFSA-N 436.394 5.406 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1c1ccc(Nc2cccc(Br)c2C#N)cc1 2162386747 GKYKKZLXFRNBKO-KXBFYZLASA-N 428.330 5.445 30 10 IKEE CCCN(c1ccc(C#N)c(Br)c1F)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2174811631 ADUQUXTWRJJZQR-HNNXBMFYSA-N 440.357 5.076 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCCN1c1cc(Br)cc(C#N)c1 2174811839 CYTSSMIGLQKCKV-OALUTQOASA-N 434.378 5.079 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(Nc2ccccc2Br)C(F)(F)CC1 2196975852 GECHSKSNZJYQFT-SFHVURJKSA-N 444.320 5.180 30 10 IKEE CC(C)(C)OC(=O)NCCCc1ccc(Nc2cc(Br)cc(C#N)c2)cc1 2203171699 BKRAXKJYWUQBRE-UHFFFAOYSA-N 430.346 5.522 30 10 IKEE C=CCCCCCCC[C@@H](O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2220095190 ZJZPDIMOOBXIIS-XMMPIXPASA-N 444.660 5.824 30 10 IKEE CN[C@@H](C#Cc1ccccc1Br)c1ccc(Cl)c(NC(=O)OC(C)(C)C)c1 2235722540 AKXWCDFKNDLLRN-SFHVURJKSA-N 449.776 5.762 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](CC[C@@H](O)C#Cc2ccccc2Br)C1 2235729365 IYSWEOSPNCENCO-QXAKKESOSA-N 436.390 5.025 30 10 IKEE CN[C@@H](CC=CC#CC(C)(C)C)c1cc(Br)ccc1I 2284161574 IJFGXQNALMFSSQ-INIZCTEOSA-N 446.170 5.310 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](Nc2c(Br)cccc2C#N)CC12CCCCC2 2285169361 GJEQYACBKVHHRK-MRXNPFEDSA-N 434.378 5.445 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CCC[C@H](C1)[C@H]2Nc1ccc(Br)cc1C#N 2285778104 ULTDPKPVNPVEAJ-IZODXCKJSA-N 434.378 5.205 30 10 IKEE COc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(Cl)cc3)[C@H]2c2ccccc2F)cc1 2296340357 ZEPFUZRFCKHNMF-OAQYLSRUSA-N 437.854 5.114 30 10 IKEE O=C1NC(=Nc2ccccc2Cl)SC1=Cc1ccc(OCc2ccc(F)cc2)cc1 2313507582 VNINARLJJHQUAM-UHFFFAOYSA-N 438.911 5.950 30 10 IKEE O=C1C(=Cc2cccc([N+](=O)[O-])c2)SC(=Nc2ccncc2Cl)N1c1ccccc1 2314542045 GQYQVKVLSIUUAH-UHFFFAOYSA-N 436.880 5.452 30 10 IKEE CC[C@@H](C)N1COc2c(cc3c(c2C)OC(=Cc2ccc(-c4ccccc4)cc2)C3=O)C1 2322371083 SQYUFJDAMOOVBV-GOSISDBHSA-N 425.528 6.229 30 10 IKEE COc1cccc(C=CC(=O)c2cccc(Cl)c2)c1OCC(=O)Nc1cccc(C)c1 2322528141 YILKWZZOGXKHTK-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE O=C(COc1ccc2ccccc2c1C=CC(=O)c1ccc(F)c(F)c1)Nc1ccccc1 2322781628 GDJJQJHFUBCDEU-UHFFFAOYSA-N 443.449 6.032 30 10 IKEE Cc1cc(OC(=O)c2cccc(Cl)c2)cc2c1C(=O)C(=Cc1ccc3c(c1)OCO3)O2 2322916774 OOVJKNIDMHCNRE-UHFFFAOYSA-N 434.831 5.213 30 10 IKEE O=C1C(=Cc2c(F)cccc2Cl)Oc2cc(OC(=O)C(Cl)(Cl)Cl)ccc21 2323034331 PJNQHPMODHBMAG-UHFFFAOYSA-N 436.049 5.371 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCc3c(Cl)cccc3Cl)c(Cl)c2)cc1 2323464811 NLSWCCJFTYCTAM-UHFFFAOYSA-N 445.773 7.684 30 10 IKEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CCCC[C@@]12CCN(C(=O)OC(C)(C)C)C2 2323466511 LVMIRCPZCQFQMF-UIOOFZCWSA-N 442.600 5.089 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3)c([N+](=O)[O-])c2)cc1 2323471291 BSQHBJVUKRRSLI-UHFFFAOYSA-N 430.460 5.071 30 10 IKEE CCCOc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)c1 2323831795 FILFKKFIJMLUEM-UHFFFAOYSA-N 448.902 6.273 30 10 IKEE CCOc1cc(C=NNc2nc(-c3cccc(OC)c3)cs2)cc(Cl)c1OCC 2323865125 JVZMLOZZEPOBFC-UHFFFAOYSA-N 431.945 5.716 30 10 IKEE CCOc1cc(C=NNc2nc(-c3ccc(C)c(C)c3)cs2)cc([N+](=O)[O-])c1OC 2323870845 XDJXIBGSXNNCED-UHFFFAOYSA-N 426.498 5.188 30 10 IKEE CCCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1 2323934872 LTEDFFIBRBMUJO-UHFFFAOYSA-N 446.430 5.367 30 10 IKEE Cc1ccc(COc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2Br)cc1 2323946216 AFNRUQDXSUXUEK-UHFFFAOYSA-N 435.361 6.849 30 10 IKEE C[C@H]1CN(Cc2c(O)ccc3c2OC(=Cc2ccc(-c4ccccc4)cc2)C3=O)C[C@H](C)O1 2324017502 ZVLSSKKJLAAEFD-OALUTQOASA-N 441.527 5.285 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OCC(=O)Nc1nccs1 2324151859 UFKHXDHFXYEGDD-UHFFFAOYSA-N 444.512 5.219 30 10 IKEE Cc1c(O[C@@H](C)C(=O)Nc2ccccc2)ccc2c1OC(=Cc1ccc(N(C)C)cc1)C2=O 2324405920 SBUDWQXYGZBLCV-SFHVURJKSA-N 442.515 5.083 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCCCOc4ccc(C)cc4)ccc3C2=O)cc1 2324540462 SYLQJCPKZJFONT-UHFFFAOYSA-N 430.500 5.858 30 10 IKEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3c(C)cc(C)cc3C)cc2[N+](=O)[O-])o1 2324555003 GGLWHJZSXDMMIM-UHFFFAOYSA-N 449.459 5.375 30 10 IKEE C=CCc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OCc1ccc(F)cc1 2324567766 YJUOYMQCETVTET-UHFFFAOYSA-N 444.546 6.963 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OCCc4ccc(C)cc4)c3C)C2=O)c1OC 2325369921 JWQREEAWUGBIND-UHFFFAOYSA-N 430.500 5.558 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCCC(=O)Nc4ccccc4)cc(C)c3C2=O)cc1 2325485975 URQGPBKLPRQVCW-UHFFFAOYSA-N 443.499 5.418 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cc4ccccc4n3C)c2)c1 2325707013 NJUNNEJQAVNFLK-UHFFFAOYSA-N 441.483 5.311 30 10 IKEE COc1cccc(C=C2Oc3cc(OCC(=O)Nc4ccc(Cl)cc4C)ccc3C2=O)c1 2325716253 LIRJPTCAZUKBEA-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE CCCC(=O)Oc1cc(C=CC(=O)c2ccccc2Cl)c(Br)cc1OC 2325717415 KQGKEUDJMJZTHF-UHFFFAOYSA-N 437.717 5.713 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2OC)cc1OC(=O)Cc1ccc(C)c(C)c1 2325722770 WRWMBDSSRAVSOD-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE Cc1c(OCC(=O)Nc2cc(Cl)ccc2Cl)ccc2c1OC(=Cc1ccco1)C2=O 2325724592 YOXIHYJANUMKNY-UHFFFAOYSA-N 444.270 5.529 30 10 IKEE O=C(Oc1cccc(C=CC(=O)c2ccc(F)cc2F)c1)c1ccc(-c2ccccc2)cc1 2325725937 WXMCBZVLTYUGBX-UHFFFAOYSA-N 440.445 6.747 30 10 IKEE Cc1ccc2oc(=O)cc(COc3ccc4c(c3)OC(=Cc3ccc(Cl)cc3)C4=O)c2c1 2325741269 MMBXEFXAPFQCSW-UHFFFAOYSA-N 444.870 5.950 30 10 IKEE COc1ccccc1OCC(=O)Oc1cccc(C=CC(=O)c2ccc(OC)c(C)c2C)c1 2325755633 QKRMUVPDMZXLPN-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1OC(=O)c1ccccc1Cl 2325756431 NBHFJDZBQHAEAZ-UHFFFAOYSA-N 448.946 6.698 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1c(C)[nH]c2ccccc12 2326495363 XVCZHRYXGXFXTL-UHFFFAOYSA-N 444.391 6.112 30 10 IKEE C(=Nn1c(CC23CC4CC(CC(C4)C2)C3)nnc1SCc1ccccc1)c1ccco1 2326912699 PWZVKJQYQLJVFX-UHFFFAOYSA-N 432.593 5.805 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(Cc3cccc4ccccc34)nnc2SC)cc1 2327705053 SJWIOINKBYPOOM-UHFFFAOYSA-N 429.593 5.472 30 10 IKEE C=CCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1ccc(C(C)(C)C)cc1 2328501777 FDYCNNDGRVSKJJ-UHFFFAOYSA-N 435.553 5.235 30 10 IKEE COc1ccc(Cc2nnc(SCc3cccc(F)c3)n2N=Cc2cccs2)cc1 2329258495 IFZTZOBQIWETDZ-UHFFFAOYSA-N 438.553 5.253 30 10 IKEE COc1ccccc1C=Nn1c(COc2ccccc2)nnc1SCc1ccccc1F 2329918834 GWTSHEICHKOICT-UHFFFAOYSA-N 448.523 5.179 30 10 IKEE Cc1ccccc1C=Nn1c(COc2ccccc2)nnc1SCCc1ccccc1 2329919477 GGUDRCCZWHTVPB-UHFFFAOYSA-N 428.561 5.383 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 2330769971 LNKHIIBBAAFMQJ-UHFFFAOYSA-N 431.444 5.281 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)c(F)c3F)c(OC)c2)cc1 2330770520 ZGEFEAAVKBMKOT-UHFFFAOYSA-N 440.417 5.790 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2OC)cc1 2331156580 CPTJHSLVDMXZJO-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)c1cccc(Cl)c1 2331231762 YSFWLGFXZCPFKS-UHFFFAOYSA-N 434.919 6.471 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)C3CCCC3)c(Br)c2)c1 2331320615 LAJMYPQHPKGQGF-UHFFFAOYSA-N 427.338 6.058 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccccc1F 2331472827 YTUCYBNLYOFRSY-UHFFFAOYSA-N 437.371 6.097 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2Cl)cc1 2331494230 MHYTWCVSJBHCCC-UHFFFAOYSA-N 432.947 7.141 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cc(OC)c(OC(=O)C2CC2)c(OC)c1 2331547675 DXDXJGQKHJTQJV-UHFFFAOYSA-N 438.520 5.221 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)C(F)(F)F)c(OC)c2)c(C)c1C 2331608976 ZGDIZHRSLBNQBK-UHFFFAOYSA-N 442.817 5.338 30 10 IKEE Cc1cnc(C(=O)Oc2ccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)cc2Cl)cn1 2331645705 HUQWJCSMVKFLKW-UHFFFAOYSA-N 434.923 5.787 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1 2331665091 METXGBMFPVDRKP-UHFFFAOYSA-N 449.434 5.475 30 10 IKEE CC(C)c1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(O)cc1O 2331705492 VFWRZGSLBAOWOG-UHFFFAOYSA-N 437.352 5.294 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)cc(OC)c1OC(=O)COC 2331869940 UJTGYLNWVYQMKD-UHFFFAOYSA-N 446.499 5.033 30 10 IKEE CC#CCN(C[C@@H](NCCC)c1c(C)ccc(Br)c1F)C(=O)OC(C)(C)C 2363135297 IBGBYGDGVKQVLH-QGZVFWFLSA-N 441.385 5.198 30 10 IKEE Cc1ccc(NC(=O)/N=C(/Nc2cnc3ccccc3c2)Nc2nc(C)cc(C)n2)cc1 14159399 CDHPWCGTQKNBNU-UHFFFAOYSA-N 425.496 5.062 30 10 IKEE Cc1cccc([C@@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccccc4Cl)nn32)c1 17101004 ZYCGSSGHSVMZGY-OAQYLSRUSA-N 436.968 5.554 30 10 IKEE C=CCN(C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1)c1ccccc1 18245354 QIFOKJZDZFRJFP-UHFFFAOYSA-N 441.556 5.005 30 10 IKEE CC(C)(C)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)cc1 21220892 MOTWRDYFKMUVBU-MMTVBGGISA-N 440.562 7.103 30 10 IKEE CCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(Cl)c(Cl)c2)C3)cc1 21228954 PETKWNXBZSBFMZ-DOTOQJQBSA-N 430.331 5.396 30 10 IKEE O=C1C[C@H](c2ccccc2Cl)CC2=C1[C@H](c1cc(F)ccc1F)Nc1ccccc1N2 21250352 DBLYXEQZABJMMY-PWECECGKSA-N 436.889 6.598 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1cccs1)C2=O)Nc1ccccc1C(F)(F)F 33556579 BCIICBHEIMQZPJ-ODLFYWEKSA-N 445.418 5.401 30 10 IKEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C\c3c(F)cccc3Cl)c2C#N)C1 33777850 PDUHGYQQRGTWGW-IWMPZKFUSA-N 430.976 6.605 30 10 IKEE C=CCOc1ccc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCC)cc1OCC 38593925 ZFPWSUYAPQLVMS-XMMPIXPASA-N 447.531 5.329 30 10 IKEE C=CCNC(=O)c1cc(-c2csc(-c3ccccc3Cl)n2)n(C[C@@H]2CCCO2)c1C 43251573 KMJGLLICPZAPAR-INIZCTEOSA-N 441.984 5.335 30 10 IKEE CCCCCCCCCCCCn1c(CNC(=O)c2cccc(C)c2)nc2ccccc21 102217697 VEDSEGZRCONJQL-UHFFFAOYSA-N 433.640 7.196 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2cccc(F)c2)cc1 169921696 PCRQUYPCDBDNPF-QFIPXVFZSA-N 435.426 5.065 30 10 IKEE CCN1C(=S)N[C@H](c2ccc(Oc3ccc(C)cc3)cc2)C(C(=O)c2ccccc2)=C1C 169932014 FCLQOLKUONYDIF-RUZDIDTESA-N 442.584 6.195 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccc(O)cc2)cc1C 169960259 DZIOFYOYGQNOKR-DEOSSOPVSA-N 443.499 5.109 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(O)c(OCC)c1 169974380 HLNHXLCULICIMV-HSZRJFAPSA-N 437.536 5.122 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2C2CCCC2)cc1 170034060 VRLMXWCKFWGXEN-QHCPKHFHSA-N 435.520 5.005 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2cccc3ccccc23)cc1 170044552 USCNSQYAVYDINV-BWKNWUBXSA-N 441.527 5.160 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)[C@@H]2c2ccccc2)cc1 170053658 CGKUZDJIKSQOJX-RUZDIDTESA-N 441.527 5.819 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(F)(F)F)cc3)[C@H]2c2ccco2)cc1 170095425 GEQSFRIVLYRLHV-IBGZPJMESA-N 443.377 5.090 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@@H]1c1cccc(OC)c1 170120945 YAJLTDQFLIIDSZ-NRFANRHFSA-N 443.927 5.126 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@@H]1c1ccccc1OC 170124902 GWMKEGSLLMNXRD-QHCPKHFHSA-N 437.536 5.108 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccc(C)c2)c1 170142699 NIDBBJLORPLJNN-RUZDIDTESA-N 441.527 5.875 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@@H]1c1cccnc1 170185057 BRYHBYHWUOSHOO-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3cc(C)c(OC)cc3C)=C(O)C(=O)N2C2CCCC2)c1 170218874 OHHSOZAUDDSPNV-DEOSSOPVSA-N 449.547 5.232 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@H]1c1cccc2ccccc12 170220887 ADNFYWIBAQJAGX-RUZDIDTESA-N 441.527 5.543 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2F)cc1C 170251706 WXTDSCMZONBWNS-QHCPKHFHSA-N 437.511 5.444 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)CCCO3)=C(O)C(=O)N1Cc1cccs1 170270003 YSBDHLZCRTXLOE-QHCPKHFHSA-N 445.540 5.160 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2C)cc1C 170274193 YCYJCJCZKZKUTD-QHCPKHFHSA-N 431.488 5.074 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@H]1c1ccco1 170289849 AFEUYHUOQQGPMP-QHCPKHFHSA-N 440.499 5.540 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(C)o2)cc1Cl 170303783 NIIUPMCPBNJSQN-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C(F)(F)F)cc2)c1 170344975 XXERWMXHOOARJR-OAQYLSRUSA-N 437.417 5.797 30 10 IKEE CCN(CC)c1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]2c2ccc(N(C)C)cc2)cc1 170443433 LYKCKNVSPWICJM-HSZRJFAPSA-N 449.595 5.114 30 10 IKEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)C(C)C)[C@H]3c3ccc(C(C)(C)C)cc3)nc2c1 170472281 LFZLAHWRVZWFLV-OAQYLSRUSA-N 431.536 5.294 30 10 IKEE C=C(C)CN(CC)C(=O)CSc1nnc(-c2cccs2)n1[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 249883329 BHBBCUOJRSLMCH-VJANTYMQSA-N 444.670 5.521 30 10 IKEE CCCCCCc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)s1 253495298 XFARTCGOTOMEOY-UHFFFAOYSA-N 439.665 6.844 30 10 IKEE CC(C)(C)c1cc(C=NN/C(=N/c2ccccc2)c2ccccn2)cc(C(C)(C)C)c1O 254478124 MCQMZBZOQRAQSD-UHFFFAOYSA-N 428.580 6.084 30 10 IKEE COc1cccc(C=NNc2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)c1 254698095 MKEIGFRDZLIMKT-UHFFFAOYSA-N 427.485 5.524 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccc(OCc2ccccc2)cc1 526806593 LPRKLJSAUOQYLF-YSMPRRRNSA-N 448.979 5.993 30 10 IKEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1ccc(Cl)cc1Cl 526814981 RSCITEJFAPHAKJ-UYOCIXKTSA-N 446.190 6.375 30 10 IKEE O=C(NCC#CCOc1cccc(Br)c1)C1(c2ccc(Cl)cc2)CCCC1 585254381 GIPKGFGMVWMRCA-UHFFFAOYSA-N 446.772 5.113 30 10 IKEE COc1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)cc(Br)c1O 698371289 NORWKXOTDMDNHD-MRXNPFEDSA-N 439.350 5.298 30 10 IKEE CC/N=C1\S/C(=C/c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1CC 1084004814 LKAFLXKTZVHHHU-QMSJJHEMSA-N 448.548 5.218 30 10 IKEE C=C[C@@H](C#N)[S@](=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-] 1088673368 PXNZVPKXMNDCTM-JNFKXCBWSA-N 430.791 5.245 30 10 IKEE Cc1nc(S[C@@H](C)C(=O)/C=C2\N(C)c3ccccc3C2(C)C)n(C[C@H]2CCCO2)c1C 1615578872 HFMWTEOTWVTYJJ-MOOYPPFCSA-N 439.625 5.040 30 10 IKEE Cc1ccc(COc2ccccc2/C=C2/SC(=Nc3ccncc3Cl)N(C)C2=O)cc1 1772731836 AYGFLCAOKCFZKZ-VXWJBAAHSA-N 449.963 5.856 30 10 IKEE C=CCOc1ccccc1/C=C1/SC(=Nc2cccc(C)n2)N(C2CCCCC2)C1=O 1772739547 WPBPOKAJZPHHGU-VJGHDNFWSA-N 433.577 5.892 30 10 IKEE COc1cc2cc(C#N)c(SCC(=O)Nc3c(Cl)cccc3Cl)nc2cc1OC 1858204840 VFMIGEALBRXAGB-UHFFFAOYSA-N 448.331 5.161 30 10 IKEE COc1cccc2cc(C(=O)Nc3oc(-c4ccccc4)c(-c4ccccc4)c3C#N)oc12 1859743663 BUNUZLJCIRZYCH-UHFFFAOYSA-N 434.451 6.492 30 10 IKEE CC[C@@H](C)N(C(=O)c1ccc(F)c(F)c1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1859899472 PORPNGQLYMNGAX-SECBINFHSA-N 443.309 6.587 30 10 IKEE O=C(/C=C/c1ccc(Br)cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 1860634107 GXRGUGVYYMVRBP-DTQAZKPQSA-N 434.333 5.260 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(CCCC)cc3)=C(O)C(=O)N2C2CC2)cc1 1862393735 BZWBHZFVEGVOPP-VWLOTQADSA-N 447.575 5.949 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2cccc(O)c2)c1 1862443287 OEWIBFDQPSVZNA-HSZRJFAPSA-N 447.918 5.441 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1cccc2ccccc12 1862460819 QPYJCPWLGIHJGH-QFIPXVFZSA-N 439.433 5.636 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc2cc[nH]c2c1 1862464142 PMMNYSUZLMZAKP-NRFANRHFSA-N 442.437 5.354 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2cccc(Cl)c2)c1 1862491613 XNHOQBLOESRSBI-ODOSVJCGSA-N 437.967 6.114 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(Cl)c(Cl)c2)ccc1F 1862507915 BRVUACBTLZSXPU-HXUWFJFHSA-N 448.321 5.962 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(F)cc2F)cc1 1862516285 LBFFNERQICONCS-QFIPXVFZSA-N 441.474 5.275 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccccc2C)cc1 1862532248 GRQORQZADHLBCB-DFBJGRDBSA-N 425.528 5.897 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)cc1 1862581373 GPTCVBPBMLCRFN-LJQANCHMSA-N 434.319 5.323 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(C(C)(C)C)cc1 1862631345 OQJVFCPAMGDMAX-NYHFZMIOSA-N 435.520 5.090 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc3ccccc23)cc1F 1862644101 CLUYCHGCPXPWFR-XMMPIXPASA-N 445.490 5.508 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(C(F)(F)F)cc1 1862655504 JYMDLFBZOFJXNP-NRFANRHFSA-N 437.417 5.623 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccccc2F)cc1 1862663797 WYPIBERGPTZPNL-XMMPIXPASA-N 447.481 5.867 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1Cl 1862675076 AZUUEZNDCKFIDJ-PGRDOPGGSA-N 443.946 6.416 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc(O)c1 1862687295 ITANNBIPBLINPV-CVDCTZTESA-N 437.536 5.338 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2cccc(F)c2)c1 1862703127 RSEILKFBUAQKKL-XMMPIXPASA-N 445.490 5.230 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccc(O)c1 1862722749 YDEXXYSAGGZGTJ-XMMPIXPASA-N 427.500 5.294 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(F)cc1F 1862725739 QSBPQTDOELMQSO-QHCPKHFHSA-N 431.438 5.396 30 10 IKEE CCCCc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(C)cc3)C2=O)cc1 1862890927 UZMVBTOQIGFNCC-UHFFFAOYSA-N 435.527 5.606 30 10 IKEE N#Cc1ccccc1N1C(=O)C(Nc2ccc3ccccc3c2)=C(c2ccccc2Cl)C1=O 1863083651 UAXXULJGHUPOBF-UHFFFAOYSA-N 449.897 5.761 30 10 IKEE CCCOc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 1863344330 ZWRPNZLKZFSUEF-MBSDFSHPSA-N 443.547 5.118 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(Cl)c(Cl)c2)C(=O)N(C(C)C)C1=O 1863630836 DALCLZZGPLTMFI-UHFFFAOYSA-N 439.427 6.212 30 10 IKEE CCCCCCCCNC1=C(c2cccs2)C(=O)N([C@H](C)c2ccc(OC)cc2)C1=O 1863813634 SOFDQZZIGAMVAL-GOSISDBHSA-N 440.609 5.548 30 10 IKEE CC(C)(C)c1nc(Nc2ccccc2C#N)cc(N2CCO[C@H](c3ccc(Cl)cc3)C2)n1 1868350428 JLJYLIBHTVNNGS-NRFANRHFSA-N 447.970 5.621 30 10 IKEE CCCc1nc(Nc2ccccc2C#N)cc(N2CCC[C@H]2Cc2ccc(Cl)cc2)n1 1868399068 ZAWRXDYMDOFGBP-NRFANRHFSA-N 431.971 5.909 30 10 IKEE C=CCOc1cn(CCCCN(CC)CC)c(CNc2ccc(C)c(Cl)c2)cc1=O 1870812829 KVSIBGOHNCGTSI-UHFFFAOYSA-N 432.008 5.109 30 10 IKEE C=CCOc1cn(Cc2ccc(OC)cc2)c(CNc2ccc(Cl)c(Cl)c2)cc1=O 1870813582 RPVXCZUMNDLIAU-UHFFFAOYSA-N 445.346 5.389 30 10 IKEE CCCCCCCCn1cc(OCCCCC)c(=O)cc1CNc1cccc(N(C)C)c1 1871130613 ZYQLUIKHJYYPNG-UHFFFAOYSA-N 441.660 6.456 30 10 IKEE CCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1cn(CC)c2ccc(OC)cc12)C3=O 1871346553 LVJWDCBSFBXZIP-MSXFZWOLSA-N 446.547 5.546 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1OC 1871367361 HWTDLFYCZBSOSY-MYYYXRDXSA-N 444.483 5.167 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)Cc4ccccc4[N+](=O)[O-])cc(C)c3C2=O)cc1 1871376255 BGHXMPYSUNTPIF-QRVIBDJDSA-N 443.455 5.230 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2sccc2C)C3=O)cc1 1871382473 XAKKOGJAPKRMSC-NDENLUEZSA-N 434.469 5.126 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O)c1ccc(-n2cccc2)cc1 1871383941 IONYCIHBFDCNJV-IWIPYMOSSA-N 425.415 5.452 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)cc2)C3=O)c1 1871389449 WQNVABWBDCLFQR-UCQKPKSFSA-N 442.467 5.454 30 10 IKEE O=C1/C(=C/c2c(F)cccc2Cl)Oc2c1ccc(O)c2CN1CCCc2ccccc21 1871395639 ZEHJRYALKCSKLT-QRVIBDJDSA-N 435.882 5.754 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2)C3=O)cc1Cl 1871412389 YWLDQUHLSWFNAF-HQXWYHRWSA-N 449.890 5.371 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2cccc(Cl)c2)C3=O)c(C)c1 1871418676 GZAWTZAOZAJKIK-QRVIBDJDSA-N 447.918 5.899 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3c(C)cccc3C(C)C)ccc2C1=O 1871421952 DLRSWUROWLHXDK-QFEZKATASA-N 441.527 6.061 30 10 IKEE Cc1c(OCC(=O)Nc2c(F)cccc2F)ccc2c1O/C(=C\c1ccccc1F)C2=O 1871441114 YRBPFYHGBLCAHB-JAIQZWGSSA-N 439.389 5.046 30 10 IKEE Cc1cc(OCC(=O)Nc2ccccc2)cc2c1C(=O)/C(=C/c1c(F)cccc1Cl)O2 1871460523 RBGFTMZEVOYVJL-MTJSOVHGSA-N 437.854 5.421 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(C)c(C)c2)[nH]c(N2C[C@@H](C)O[C@H](C)C2)n1 1871525991 ANFPAEYJKUSLMF-NHCUHLMSSA-N 440.636 5.040 30 10 IKEE C=CCN([C@H](CCC)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1cccs1 1871822873 XNALHNYZGZRTFQ-HXUWFJFHSA-N 434.627 5.075 30 10 IKEE C=CCN([C@H](CC)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(=O)(=O)c1ccccc1 1872210444 FBUAZEVZXOTEGR-RUZDIDTESA-N 448.588 5.256 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)c1ccccc1)S(C)(=O)=O 1872339221 QZNBQQNTIXCGKK-XMMPIXPASA-N 442.625 5.451 30 10 IKEE C=C(C)CN([C@H](CC)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccc(C)cc1 1872450232 ATFWJYPYGYCDTN-HSZRJFAPSA-N 428.598 5.103 30 10 IKEE C=C(C)CN([C@H](CC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872516352 OHHQDEPACPNSEH-HSZRJFAPSA-N 442.625 5.213 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)Cc3ccccc3[N+](=O)[O-])n2)cc1C(C)C 1872779511 LEZWQIXDFCWIHC-IBGZPJMESA-N 449.532 5.578 30 10 IKEE Cc1cc(C)c(-c2csc([C@@H](C#N)C(=O)CCCOc3ccc(Cl)cc3)n2)c(C)c1 1872785858 AZVPKFCUNVWHHM-FQEVSTJZSA-N 438.980 6.424 30 10 IKEE CCCCCCCCNC1=C(c2cccc(OC)c2)C(=O)N(C2CCCCCC2)C1=O 1873047419 HCSIFRNLJFEDCY-UHFFFAOYSA-N 426.601 5.448 30 10 IKEE CCCCCCCCN1C(=O)C(NCCOC)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873083382 NSTYOBRXGQNSOT-UHFFFAOYSA-N 434.580 5.030 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccccc2C)=C(c2cccc(OC)c2)C1=O 1873215221 UPSSMUHGGDYOBM-UHFFFAOYSA-N 448.607 6.336 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2OCCC)=C(c2c(Cl)cccc2Cl)C1=O 1873289680 ZQXNPNKAYZSILI-UHFFFAOYSA-N 431.319 5.160 30 10 IKEE CCCCCCCCCCNC(=O)c1c2c(n3ccccc13)C(=O)c1ccccc1C2=O 1873936424 GUXVIWYOIUMSOF-UHFFFAOYSA-N 430.548 5.585 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1ccccn1 1874197639 UTPVZHQJSBQHRJ-WPWMEQJKSA-N 443.576 5.388 30 10 IKEE C=C(C)CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccc(C)cc1 1874217767 UQLZNFXBRWOOQK-BRJLIKDPSA-N 441.000 5.986 30 10 IKEE CCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1cn(C)c2ccccc12 1874246116 NATQCOUUDKKHMJ-PCLIKHOPSA-N 433.581 5.084 30 10 IKEE Cc1ccc(CSc2nnc(CCOc3ccccc3)n2/N=C/c2cccc(F)c2)cc1 1874346014 RYDKMYUEYIWWQS-WPWMEQJKSA-N 446.551 5.522 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2C)n1/N=C/c1ccc(Cl)c(Cl)c1 1874362823 YPWXRTVCMXEQAK-DHRITJCHSA-N 445.419 6.229 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccco1 1874399746 VHQWDEAKMLOGML-IPISDEMTSA-N 438.556 6.351 30 10 IKEE O=C(O)c1ccccc1/C=N/n1c(CC2CCCCC2)nnc1SCc1ccccc1 1874408212 LJWNOHDLFSOOMA-PCLIKHOPSA-N 434.565 5.274 30 10 IKEE Cc1cccc(CSc2nnc(Cc3cccs3)n2/N=C/c2ccc(Cl)cc2)c1 1874411786 MBULPDJQRXSQJX-ZVHZXABRSA-N 439.009 6.067 30 10 IKEE Cc1cccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2Cl)c1 1874418451 QAUQBECLLBFMKB-WGOQTCKBSA-N 432.980 6.005 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)(C)C)n2/N=C/c2ccc(F)cc2F)c1 1874438632 KVRRXBSOKKOPTE-LGJNPRDNSA-N 428.552 5.936 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SCC)nnc2[C@@H]2CCCO2)cc1OCC 1874444171 BDYVFPGDCRMSCA-LKZQPVPRSA-N 432.590 5.092 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CCC2)cc1OC 1874497120 VQBQRCAGDSEZGX-ZMOGYAJESA-N 442.972 5.391 30 10 IKEE Cc1cccc(C)c1NC(=O)CSc1nnc(C(C)C)n1/N=C/c1ccc(C(C)C)cc1 1874513132 IWODSSSHLPLUSQ-VULFUBBASA-N 449.624 5.755 30 10 IKEE CCCOc1c(/C=N/n2c(SCc3ccc(F)cc3)nnc2C2CC2)cccc1OC 1874517798 LMICLWVUDWACNR-AFUMVMLFSA-N 440.544 5.267 30 10 IKEE Cc1ccc(OCc2nnc(S)n2/N=C/c2ccccc2OC(C)C)c(C(C)(C)C)c1 1874569346 SGRVNVDNTKKXJI-AFUMVMLFSA-N 438.597 5.421 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)OC)cc1OCCC 1874576412 LWYNMKFVJXVUBP-RMKNXTFCSA-N 446.927 5.366 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C/C(=O)c2cc(C)ccc2C)cc1 1874580236 DPGDFJUUYCLDGV-XYOKQWHBSA-N 433.935 6.179 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(F)c(F)c2)c1OCc1cccc(C)c1 1874584915 HTLLTGBIPSKPHG-VQHVLOKHSA-N 428.862 6.410 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccccc1OCCc1ccccc1 1874586562 SZAKXEKMJVWNTB-VAWYXSNFSA-N 427.327 6.520 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccccc3F)c2)c(C)c1C 1874598462 NEXGJHQGFYCIER-ACCUITESSA-N 433.479 5.365 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OCCc1ccccc1 1874602456 MYICXFCHEOLNIY-BUHFOSPRSA-N 443.499 5.850 30 10 IKEE CCCOc1ccc(/C=C/C(=O)c2ccc(OCCC)c(OCCC)c2)cc1OCC 1874612588 BSDDIQNZADSDFX-FMIVXFBMSA-N 426.553 6.348 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(OC)c1OCc1ccc(C)cc1 1874612724 JCZXKXFYCWXJGU-JLHYYAGUSA-N 434.482 6.485 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OCC(=O)Nc1cccc(C)c1C 1874614897 WCDAMNCCABFYMX-BUHFOSPRSA-N 445.515 5.234 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3c(Cl)cccc3Cl)cc2)c(C)c1C 1874627982 GWWVTSABECURKA-UKTHLTGXSA-N 441.354 7.094 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1C 1874636599 JCDFDEQBEFVRDS-NTEUORMPSA-N 429.516 5.534 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OC(=O)c1ccccc1Cl 1874697473 ZPBLVYLHAVSSDJ-ZRDIBKRKSA-N 427.283 6.117 30 10 IKEE COc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccccc3)c2)c(C(C)(C)C)c1 1874700471 VFJXXBRFKMWNBB-FYWRMAATSA-N 444.527 5.873 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1OC(=O)c1ccc(F)cc1 1874702600 ZSUHRDKUZJXTQC-WTDSWWLTSA-N 445.273 6.256 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3cccc4ccccc34)c2)cc1F 1874706902 FZSXKMRGFMMNRM-WYMLVPIESA-N 440.470 6.032 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1OC(=O)c1cccc(C)c1 1874710905 METHVQOIFGVEHT-ZRDIBKRKSA-N 428.528 6.353 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccc3c(c2)OCO3)c1 1874715869 PRWMIBYZYYWZSB-FMIVXFBMSA-N 442.511 6.137 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)c2cccc3ccccc23)c1 1874717739 BCEFVMUWHOGVCY-WYMLVPIESA-N 442.898 6.617 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3cc4ccccc4n3C)c2)cc1C 1874718285 TXKYBTRXSWKUIO-OUKQBFOZSA-N 439.511 5.919 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](C(C)(C)C)CSc2nnc(COc3ccccc3)n21 1874986667 TWNXDQGPNYJEHZ-HXUWFJFHSA-N 444.645 5.593 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)cc1OC 1875098976 PEEFUQQDORUSFA-WUXMJOGZSA-N 447.443 5.036 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)CSc3ccccc3)c([N+](=O)[O-])c2)cc1 1875100557 GZMOQTNMKYUERT-GXDHUFHOSA-N 447.512 5.751 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(C)c(C)c3)c(OC)c2)cc1 1875101446 ORKZGGJPNBQYKE-NTEUORMPSA-N 444.527 5.755 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)CCCSC)c(OC)c2)c1 1875101994 UYFARJZJUXOBHH-MDZDMXLPSA-N 434.941 5.302 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1[N+](=O)[O-])c1ccc(F)cc1F 1875111698 ISSTZZZSBIMFQO-WEVVVXLNSA-N 443.789 5.642 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(OC)c(OC(=O)Cc2ccc(C)cc2)c(OC)c1 1875118049 NSVSEKAKOAMBQO-BUHFOSPRSA-N 446.499 5.065 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3OC)c(Cl)c2)cc1 1875129465 DIJUMQQBRSKXOR-RIYZIHGNSA-N 436.891 5.863 30 10 IKEE COc1ccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2)cc1 1875131085 HNTFSNICMDZJHF-RQZCQDPDSA-N 444.527 5.973 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(OCC(C)C)cc1 1875136246 FYHWBVPSQDPELT-VIZOYTHASA-N 444.527 6.154 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)C1CCCC1 1875141971 FQYDHWFFNRUFFH-DHZHZOJOSA-N 430.903 6.178 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OC(=O)[C@@H]1CCCO1 1875148288 ACFQLSMGCWHBLI-SQEWALACSA-N 442.939 5.627 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1Cl 1875175238 FWAWQBXUCOBNIQ-UKTHLTGXSA-N 448.946 6.400 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)C3CCC3)c(Br)c2)c(OC)c1 1875178455 KUTGOCRJBPCJKM-UXBLZVDNSA-N 445.309 5.068 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc(OC)c1OC(=O)CC 1875181448 HFAMPGAQFKDRDR-MDZDMXLPSA-N 428.912 5.606 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc(Cl)c1OC(=O)C1CC1 1875189247 GFVUOMCMZSLGBN-FPYGCLRLSA-N 439.722 6.257 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)ccc1OC(=O)c1cccs1 1875191830 GMMMNQUSGHYLRD-FMIVXFBMSA-N 444.508 6.034 30 10 IKEE CCN(CC)c1cccc(OCC#CCNC(=O)c2sc(-c3ccccc3C)nc2C)c1 1891511051 ULJVWFZTFFVLFZ-UHFFFAOYSA-N 447.604 5.085 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@]2(C#N)N(C(=O)OC(C)(C)C)C2CCCC2)C1 1918268909 VZGKWCGPAGYWEY-DNQXCXABSA-N 433.593 5.240 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCCCC[C@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1929587979 VJPSJISNMGKELG-NBGIEHNGSA-N 443.588 5.543 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@](C#N)(N(Cc3cccs3)C(=O)OC(C)(C)C)[C@H]2C1 1944433422 WXJZWSWCWTXTLE-CEXJFXJFSA-N 447.601 5.024 30 10 IKEE CC(C)C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(CC1CC1)C(=O)OC(C)(C)C 1944806526 NCCOGVCICCAFJX-CYFREDJKSA-N 435.609 5.199 30 10 IKEE CCCCCC#CC[C@H](N)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2024369793 JHMWOHAFFHIKNL-OZXSUGGESA-N 428.617 5.132 30 10 IKEE C#CCCCCC[C@@H](NCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2041897289 QNFKJQRQSRKLHL-SQHAQQRYSA-N 442.644 5.392 30 10 IKEE CC1(C)OB([C@]23C[C@H]2CCN(C(=O)c2cscc2OCc2ccccc2)C3)OC1(C)C 2073753687 DUQGZSWWSQFBTF-KOSHJBKYSA-N 439.386 5.026 30 10 IKEE Cc1ccc([C@@H](C2CC2)n2nc(C(C)C)c(/C=N/O)c2I)c(C)c1 2079026534 DHDUBHKMPSXKGK-VMHWHBCQSA-N 437.325 5.035 30 10 IKEE OCc1c(C(F)(F)F)nn([C@@H](c2ccc(C(F)(F)F)cc2F)C2CCC2)c1Cl 2079978710 FXKATUYQWBPTAP-CYBMUJFWSA-N 430.751 5.595 30 10 IKEE Cc1cc(O)c([C@H](C2CCC2)n2nc(C3CCC3)c(C=NO)c2Br)cc1C 2079997906 JLMTXOXINHKIQH-FQEVSTJZSA-N 432.362 5.433 30 10 IKEE Fc1ccc(-c2c(C(F)(F)F)nn(C(F)F)c2Br)c(C(F)(F)F)c1 2080797256 KXLDRHODMFTZQF-UHFFFAOYSA-N 427.064 5.884 30 10 IKEE C#CC[C@H](C)C[C@@H](NCCC)c1ccc(Br)cc1I 2142288600 KZMOYGBYOFZMQJ-BLLLJJGKSA-N 434.159 5.144 30 10 IKEE CCCN(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1cc(Br)ccc1C#N 2174813594 YFCPKKRKFNYQIJ-SFHVURJKSA-N 436.394 5.327 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Br)c2ccccc12 2180891789 QTIPLZKYTJNMER-SFHVURJKSA-N 433.346 5.400 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](Nc3ccc(C#N)c(Br)c3)CCC[C@H]2C1 2233766067 WUPFOYDUNKVYRP-WDYCEAGBSA-N 434.378 5.158 30 10 IKEE CCCCCCCC[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2240622666 WGIODYMWZHCOTH-QFIPXVFZSA-N 437.422 7.223 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2ccc(C#N)c(Br)c2)C[C@@H]2CCCC[C@@H]21 2240972983 QPLGVZKNYAPRSP-FNHZYXHNSA-N 434.378 5.301 30 10 IKEE CC1(C)OB(c2cccc(C(=O)N(Cc3ccccc3)CC3CCC3)c2Cl)OC1(C)C 2255545434 QACJMLHEZQTBDB-UHFFFAOYSA-N 439.792 5.082 30 10 IKEE Cc1sc(C(=O)N(Cc2ccccc2)CC2CCC2)c(B2OC(C)(C)C(C)(C)O2)c1C 2255599214 XHXGGQLQEXNLDB-UHFFFAOYSA-N 439.430 5.107 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)c1cc(Br)cc(C(C)(C)C)c1 2273002603 FDFDMWURZSXNID-MSOLQXFVSA-N 426.395 5.640 30 10 IKEE CC#CC[C@@H](OCCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2275440792 PNGGYYBBTYANDL-RUZDIDTESA-N 444.527 5.790 30 10 IKEE C=CCCCCC[C@](C)(OCCN)c1cc(Br)c(Br)s1 2292882152 LNZOFMWCGLYJRO-HNNXBMFYSA-N 425.230 5.600 30 10 IKEE CC(C)(C)OC(=O)N[C@H](C[C@H](O)C#Cc1cccc(Br)c1)C1CCCCC1 2296220138 VHHKNMAVDYVMOX-WOJBJXKFSA-N 436.390 5.025 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CCCN(Cc2ccccc2)C1 2296266491 JCDGCIDOADNHGX-LADGPHEKSA-N 425.414 5.081 30 10 IKEE C[C@H](c1ccc(NC(=O)OC(C)(C)C)cc1)[C@H](N)C#Cc1ccc(Br)cc1 2296311309 VSIWFAFCCKDIAH-FOIQADDNSA-N 429.358 5.279 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=Nc3cccc(C(=O)c4ccc(F)cc4)c3)cc2)cc1 2296647853 ODCODDMLRMGAHN-UHFFFAOYSA-N 437.470 6.335 30 10 IKEE COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=Cc2ccc(-c3cccc(Cl)c3)o2)C1=O 2297312876 HFMQGSNPACYRJH-UHFFFAOYSA-N 433.891 5.786 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1ccc(NC(=O)OC(C)(C)C)cc1Cl 2299438368 HPPXPUJIDKLVHM-QHCPKHFHSA-N 445.003 6.501 30 10 IKEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 2304197093 YSUIECASQJHNMF-YGKZAACZSA-N 449.617 5.413 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OCc3c(F)c(F)c(F)c(F)c3F)ccc2C1=O 2314437273 HUOKAKZDEDTMSK-UHFFFAOYSA-N 432.344 5.886 30 10 IKEE O=C(O)c1ccc(C=C2SC(=Nc3cccnc3Cl)N(C3CCCCC3)C2=O)cc1 2314540757 XQAFLINRIMMFOV-UHFFFAOYSA-N 441.940 5.370 30 10 IKEE Cc1ccc(COc2ccc(C=C3SC(=Nc4ccncc4Cl)N(C)C3=O)cc2)cc1 2314542121 HENBIWFVXFRINQ-UHFFFAOYSA-N 449.963 5.856 30 10 IKEE CCN[C@H](C#CC1CCC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2315834189 IZGSJUNQFSYAED-HHHXNRCGSA-N 425.572 6.299 30 10 IKEE Cc1ccccc1COc1ccccc1C=NNc1oc([C@@H]2C[C@@H]2c2ccccc2)nc1C#N 2320836894 DOGRESZFIWZVFC-DNQXCXABSA-N 448.526 6.151 30 10 IKEE C=C(C)CSc1nnc(CC)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2321004385 OCCUFMSQHQFFOE-UHFFFAOYSA-N 426.973 5.623 30 10 IKEE Cc1ccccc1COc1ccc2c(c1C)OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O 2321742608 KJCLXJPVGMZEBZ-UHFFFAOYSA-N 448.902 6.019 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OCc4ccc(F)cc4)cc(C)c3C2=O)cc1 2321802231 ZORUBDRIPDSYBX-UHFFFAOYSA-N 431.507 6.176 30 10 IKEE Sc1nnc(C2CCCC2)n1N=Cc1ccccc1OCc1ccc(Cl)cc1Cl 2321928176 VTCKQVPJYDTLDJ-UHFFFAOYSA-N 447.391 5.992 30 10 IKEE COc1ccc(CCN2COc3cc(C)c4c(c3C2)OC(=Cc2sccc2C)C4=O)cc1 2321940482 GTEMYANFOGCJLA-UHFFFAOYSA-N 447.556 5.384 30 10 IKEE O=C1C(=Cc2ccc(Br)cc2)Oc2c1ccc1c2CN(C2CCCCC2)CO1 2322016226 LEVYLJRUUOMZBC-UHFFFAOYSA-N 440.337 5.550 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Br)ccc2OCc2cccc(F)c2)cc1 2322353543 YTNLJQYCZLJZTC-UHFFFAOYSA-N 439.324 6.626 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2ccc(C(=O)OC)o2)cc1 2322401985 KNFNTWQPYLAIAI-UHFFFAOYSA-N 448.515 5.893 30 10 IKEE CCn1cc(C=C2Oc3cc(OC(=O)C4CCCCC4)cc(C)c3C2=O)c2ccccc21 2322738242 UPFPCFDCQAZETR-UHFFFAOYSA-N 429.516 6.072 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc(OC(=O)Cc3ccc(Cl)cc3)c2C)C1=O 2322899805 XZHRTLHMJTWXLV-UHFFFAOYSA-N 434.875 5.421 30 10 IKEE CCOc1cc(C=NNc2ccc(C)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 2322927100 CWDFDRUFOFNNDX-UHFFFAOYSA-N 429.347 6.726 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(OC)c(OC)c2OC)c1OCc1ccccc1C 2323039042 VOOPQKINXOIMCW-UHFFFAOYSA-N 448.515 5.505 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1OCc1cccc(Cl)c1 2323047478 ZHBVCHZSFWOKJL-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3cccc(C)c3C)c2)cc1OC 2323060673 FIUXBLDPPHNIKN-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE COC(=O)c1ccc(COc2cc(C=CC(=O)c3cccc(Cl)c3)ccc2OC)o1 2323118338 DJCZJIDFBSFZOC-UHFFFAOYSA-N 426.852 5.203 30 10 IKEE Cc1cc(OC(=O)c2cccc(F)c2)cc2c1C(=O)C(=Cc1c(F)cccc1Cl)O2 2323301733 YQAKTXFCTIFFKK-UHFFFAOYSA-N 426.802 5.762 30 10 IKEE CCCN(CCC)C(=O)COc1cccc(C=CC(=O)c2ccc(OC)c(Cl)c2)c1 2323310687 YGTLJTHRZTYCIA-UHFFFAOYSA-N 429.944 5.272 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1 2323341820 RNRZBJILFXSNLQ-UHFFFAOYSA-N 441.571 6.277 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(Cl)c2)cc1 2323464989 QNOMLICGYSLYNJ-UHFFFAOYSA-N 447.962 6.433 30 10 IKEE CCn1cc(C=C2Oc3cc(OC(=O)C=Cc4cccs4)ccc3C2=O)c2ccccc21 2323520811 KBLCPACDPPKROM-UHFFFAOYSA-N 441.508 5.958 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)C=Cc1ccc2c(c1)OCCO2 2323580010 DIKKMZISKFGJAK-SANMLTNESA-N 444.616 5.013 30 10 IKEE COc1cccc(C=NNc2nc(-c3ccccc3)c(C)s2)c1OCc1cccc(C)c1 2323844495 VXJYVXQRQPVJTI-UHFFFAOYSA-N 443.572 6.461 30 10 IKEE CCCOc1c(Cl)cc(C=NNc2nc(-c3ccc(F)cc3)cs2)cc1OCC 2323858595 QBSDSXLNENJKQF-UHFFFAOYSA-N 433.936 6.236 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] 2323900744 LGLHAKFCCILGQE-UHFFFAOYSA-N 444.487 5.379 30 10 IKEE COc1cccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccccc4Cl)ccc3C2=O)c1 2324388713 QKPWAADNXJIKRU-OAHLLOKOSA-N 449.890 5.371 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccccc4)c3C)C2=O)c1 2324405502 HGDQPYZYZRWWLA-KRWDZBQOSA-N 429.472 5.026 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 2324455402 IZXUEYZSIYOVHC-UHFFFAOYSA-N 431.488 6.085 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2cccc(C)c2)C3=O)cc1 2324483939 BUEXCTGKJHVNPS-LJQANCHMSA-N 441.527 5.888 30 10 IKEE COc1ccc(C=C2Oc3cc(OCCCCOc4ccccc4C)ccc3C2=O)cc1 2324591563 KEYRHKCNZKOMEA-UHFFFAOYSA-N 430.500 5.858 30 10 IKEE CC(C)CCOc1ccc2c(c1)OC(=Cc1cc(Br)cc3c1OCOC3)C2=O 2324637363 IKLSHVTTZRHVOC-UHFFFAOYSA-N 445.309 5.357 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OCC(=O)Nc2ccc(C)cc2C)cc1 2324693563 MOLFTAWYZJLVQO-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C)cc4C)cc(C)c3C2=O)cc1 2324890754 CCQHYNMRXSFYHR-UHFFFAOYSA-N 427.500 5.554 30 10 IKEE CCCCCOC(=O)COc1ccc2c(c1C)OC(=Cc1cn(C)c3ccccc13)C2=O 2325044867 ZXXGUYLMWYWIBQ-UHFFFAOYSA-N 433.504 5.215 30 10 IKEE CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1C)OC(=Cc1cn(C)c3ccccc13)C2=O 2325079426 QTDOQNGIUCZWGU-OAQYLSRUSA-N 433.504 5.214 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OCCc4ccc(C)cc4)cc(C)c3C2=O)cc1 2325372787 CZOSINSFTARWQI-UHFFFAOYSA-N 441.571 6.387 30 10 IKEE CC(C)OC(=O)c1ccc(COc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)o1 2325385276 HKVZSVITHSWMAW-UHFFFAOYSA-N 430.456 5.596 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(C(C)(C)C)cc1 2325532491 IPSFIYSGACYQAT-UHFFFAOYSA-N 441.044 6.746 30 10 IKEE Cc1cc(OCC(=O)NCc2ccco2)cc2c1C(=O)C(=Cc1ccc(C(C)C)cc1)O2 2325565154 ADLSACLGRVSNEH-UHFFFAOYSA-N 431.488 5.023 30 10 IKEE COc1cccc(C(=O)C=Cc2cccc(OC(=O)c3cccc(Br)c3)c2)c1 2325707526 LEVZSZDOSUVKOW-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE COc1ccc(C=C2Oc3cc(OCc4cccc(C)c4)cc(C)c3C2=O)c(OC)c1OC 2325720658 JPGCKLHQPRRNEA-UHFFFAOYSA-N 446.499 5.524 30 10 IKEE Cc1ccc(C)c(OCC(=O)Oc2cccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1C 2325722208 ANSLIWTVMCMUHB-UHFFFAOYSA-N 445.471 5.401 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1)c1ccc(Cl)cc1 2325730692 CPJMOYSECKGSER-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4cccc(C)c4C)cc(C)c3C2=O)cc1 2325738008 KXXATAIHMRPRIZ-UHFFFAOYSA-N 427.500 5.554 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Br)c(O)c(Br)c2)cc1 2325791806 JYQBGCOLXDEDNH-UHFFFAOYSA-N 426.104 5.212 30 10 IKEE CCCCCOc1ccc(C=Nn2cnnc2SCc2ccc(C#N)cc2)cc1OCC 2326660544 LRWRNIQCAIUMEK-UHFFFAOYSA-N 449.580 5.292 30 10 IKEE CCSc1nnc(CCCOc2ccccc2C)n1N=Cc1c(F)cccc1Cl 2327082763 INILITZTZGIJEN-UHFFFAOYSA-N 432.952 5.385 30 10 IKEE Cc1ccccc1CSc1nnc(COc2ccccc2Cl)n1N=Cc1cccnc1 2327619131 QLWKRJHCWLZOLN-UHFFFAOYSA-N 449.967 5.388 30 10 IKEE CCCOc1ccccc1C=Nn1c(CCc2ccc(Cl)cc2)nnc1SCC 2328051461 OMNSLFBPBQAPRK-UHFFFAOYSA-N 428.989 5.500 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3F)n2N=Cc2ccco2)cc1C 2328793509 RRVMADLIPSODGU-UHFFFAOYSA-N 436.512 5.381 30 10 IKEE C=C(C)CSc1nnc(COc2cccc(C)c2C)n1N=Cc1ccccc1Cl 2328846746 CXQGVVBZPKFDRZ-UHFFFAOYSA-N 426.973 5.678 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCOc3ccccc3)n2N=Cc2ccccn2)c1 2329195371 KFVKTEOPUHJSNU-UHFFFAOYSA-N 443.576 5.086 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3F)n2N=Cc2ccncc2)cc1C 2329427862 DDKNVRQXRQIHPE-UHFFFAOYSA-N 431.540 5.194 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccccc3Cl)n2N=Cc2cccs2)c1 2329576972 BQYHRMOHPHMDJH-UHFFFAOYSA-N 439.009 6.451 30 10 IKEE COc1cccc(C=Nn2c(COc3ccccc3)nnc2SCc2ccccc2)c1 2329918849 JLGLVHBCWHULAL-UHFFFAOYSA-N 430.533 5.040 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2ccc(F)cc2)cc1 2330004198 KJWOHBIWCZZTHH-UHFFFAOYSA-N 430.552 5.533 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCc3ccc(F)cc3)nnc2[C@@H](C)c2ccccc2)c1 2330066177 UIHJXQROQNFBED-SFHVURJKSA-N 446.551 5.758 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC(C)C)NC(=O)C=Cc1ccc(OC)cc1 2330123604 REXWAHCIKKGKFP-XMMPIXPASA-N 430.633 5.496 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccccc2)n1N=Cc1ccc([N+](=O)[O-])cc1 2330459033 BTAYLWBJHXVRNJ-UHFFFAOYSA-N 443.532 5.260 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccccc3)n2N=Cc2ccc(O)cc2O)c1 2330674833 RDZKIXQNNLFHMS-UHFFFAOYSA-N 430.533 5.148 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3Cl)cc2)cc1OC 2330707412 OGKKYOBDEHOVFD-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)ccc1OC(=O)CCc1ccccc1C 2330795088 AQCZNBNNNAASOY-UHFFFAOYSA-N 444.527 5.837 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccco2)c([N+](=O)[O-])c1)c1ccc(Br)cc1 2330889256 IWXAXONCNOIGJE-UHFFFAOYSA-N 442.221 5.066 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccccc3)c(OCC)c2)cc1 2331208202 UQZPHDBFMYVRPY-UHFFFAOYSA-N 446.499 5.365 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)Cc1ccc(C)cc1 2331276309 HUXYHMZQHHNYEJ-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3)c(OCC)c2)cc1 2331309089 VHGWUJPHXFGPFH-UHFFFAOYSA-N 430.500 5.989 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cncc(C)c3)c(OC)c2)cc1 2331311846 DNHSPASWXHLCLV-UHFFFAOYSA-N 431.488 5.303 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(Cl)cc3)c(Cl)c2)ccc1F 2331337192 HGXWCXJNJAQFDN-UHFFFAOYSA-N 443.301 6.485 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccc(C(=O)OC)cc1 2331337998 QEJAVOMTCAIEKG-UHFFFAOYSA-N 436.581 5.199 30 10 IKEE CCCCc1nnc(SCCC)n1N=Cc1ccc(N(CC)Cc2ccccc2)cc1 2331343606 FTYCNCWCFUCBSC-UHFFFAOYSA-N 435.641 6.032 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1ccc(Cl)cc1 2331376689 IAHUVCOJHUWLIE-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1)c1ccc(-n2cccc2)cc1 2331470002 WEAQCJDKRAODLT-UHFFFAOYSA-N 443.502 6.746 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OC(=O)c1cccc(F)c1 2331485556 GDYQNCYWRKLUKR-UHFFFAOYSA-N 426.443 6.103 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1cc(C)cc(C)c1 2331509735 BKTWUYRDJGEQDH-UHFFFAOYSA-N 428.528 6.551 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(Cl)cc3)cc2)c(C)c1C 2331612054 YYWFCHBKWOYRPY-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE C=CCc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)c1cccnc1 2331780015 MGYHXZXHRIOZSL-UHFFFAOYSA-N 441.527 5.859 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2331780280 TWEFEPMQJVZNPW-UHFFFAOYSA-N 445.471 5.644 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3sccc3C)c(OC)c2)cc1Cl 2331835132 MTPXAYAUSKQSJV-UHFFFAOYSA-N 442.920 5.842 30 10 IKEE C[C@@H]1CN(Cc2ccccc2)CC[C@H]1Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339579066 QAJCTRJUXVPWRX-NFBKMPQASA-N 433.405 5.049 30 10 IKEE C[C@@H](CCSCc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1)C(F)F 2349810041 FAEKCRHHZTXWQZ-LBPRGKRZSA-N 435.183 5.273 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2cc(Br)c(C#N)cc2F)C[C@@H]2CCC[C@@H]21 2360234752 OEWXZVCPZWWYPD-YEWDVWPNSA-N 438.341 5.050 30 10 IKEE Cc1cc(C(=O)N2CC(B3OC(C)(C)C(C)(C)O3)=CCC2(C)C)c(Br)s1 2362687097 YDNAVCGXVOSSCY-UHFFFAOYSA-N 440.212 5.001 30 10 IKEE CC1(C)OB(/C=C/c2ccc(Nc3cc(Cl)cc(Br)c3)nc2)OC1(C)C 2365107662 QPNDFQPDIFMFKE-BQYQJAHWSA-N 435.558 5.886 30 10 IKEE C[C@@H](Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)c1nscc1Br 2365111749 JWLPYGBAKAKKBO-IDVQTMNDSA-N 436.184 5.118 30 10 IKEE CC1(C)OB(c2ccc(CSCC34CCC(CC3)C4)cc2Br)OC1(C)C 2377314152 FPBIRCZLKZAEAD-UHFFFAOYSA-N 437.252 5.562 30 10 IKEE CC1(C)CC(=O)C(=CNc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)C(=O)C1 14567383 DXFFKAAHSHOUJZ-UHFFFAOYSA-N 430.426 5.212 30 10 IKEE C=CCn1c(S[C@@H](C)C(=O)O[C@@H](C)CC)nc2scc(-c3ccccc3)c2c1=O 19651126 VOBPOODRQPTNFJ-GJZGRUSLSA-N 428.579 5.133 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccn2)cc1 21228169 ZFRFXBDXOHSVIR-WINIVTDRSA-N 425.532 5.850 30 10 IKEE COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cccc2ccccc12 21231342 HJBFADODUBIGEH-WRGVRERRSA-N 446.550 6.828 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(Cl)cc2)cc1 21237091 ZHJPVXQYEUOLPO-UZTOHYMASA-N 444.962 6.718 30 10 IKEE C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C)nnc1-c1ccc(C(C)(C)C)cc1 21332852 HUOVUZNNBDAMDA-GOSISDBHSA-N 434.609 5.856 30 10 IKEE CCCCCCCC/C=C/CCCCCCCC(=O)Nc1c(OC)cc(OC)cc1OC 36349499 YYMMCKTYZLLVOG-OUKQBFOZSA-N 447.660 7.688 30 10 IKEE N#Cc1ccc(Nc2ccc(C(F)(F)F)cc2Nc2ccccc2C(=O)O)c(C(=O)O)c1 39123537 INSPOCDSXSGXGJ-UHFFFAOYSA-N 441.365 5.461 30 10 IKEE Cc1c(/N=N/c2c(Cl)cccc2Cl)c(O)n([C@@H](C)c2ccccc2)c(=O)c1C#N 39870667 UFGLNJWPFWHDJV-UYKKPGFNSA-N 427.291 6.066 30 10 IKEE C[C@H]1CCc2c(C#N)c(NC(=O)COc3cc(Cl)ccc3Cl)sc(=S)c2C1 41014414 UUJXFOYCPJZFRV-JTQLQIEISA-N 439.389 5.798 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OC(=O)Cc4ccccc4)cc(C)c3C2=O)c2ccccc21 41355861 LKZPSXLUUTZDRY-MYYYXRDXSA-N 437.495 5.734 30 10 IKEE CCn1cc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CC(C)C)C4)c2cc(OC)ccc21 41651239 OJPSLLAJZUTTDG-VROXFSQNSA-N 446.547 5.402 30 10 IKEE COc1ccc(-c2c(C)sc3ncnc(SCc4cccc(C#N)c4)c23)cc1OC 96536275 OKVLYKADBFZYAX-UHFFFAOYSA-N 433.558 5.848 30 10 IKEE CCCCCCCCCCCCCCCCNCC(=O)Nc1ccc(C(=O)N(C)C)cc1 100056003 OYJOIBLEHIKNKP-UHFFFAOYSA-N 445.692 6.398 30 10 IKEE CCCCCCCOc1cccc(NC(=O)CNc2cccc(C(=O)N3CCCC3)c2)c1 100111012 YFUOOJHUXLNJHZ-UHFFFAOYSA-N 437.584 5.322 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)[C@H](C)Oc1ccccc1[C@@H](C)CC 100235888 KSXXQXSXCGORCN-UIOOFZCWSA-N 445.732 8.565 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2 100358837 LMUCTJPXITUQHT-XHNVNVPESA-N 430.419 8.169 30 10 IKEE CCOc1cccc(/C=C2\S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)c1O 101018647 OJDAQGFZWLUUEA-JXKYSLRESA-N 444.556 6.216 30 10 IKEE C/C(=N/n1c(-c2cccs2)cs/c1=N/c1ccc(Cl)cc1Cl)c1ccncc1 102909232 WYSUYBIPESGMKU-YANKMGKHSA-N 445.400 6.485 30 10 IKEE C=CCn1c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c(C)c2cc(C(C)C)ccc21 169863363 UIEOJRUEUWCJLB-UHFFFAOYSA-N 435.999 5.875 30 10 IKEE COc1cc(/C=N/Nc2cccc(C(=O)O)c2)ccc1OCc1ccc(C(C)(C)C)cc1 169876889 PKDLDSNPXLUYRM-JVWAILMASA-N 432.520 5.716 30 10 IKEE CCCOc1c(OC)cc(/C=N\Nc2nc(-c3ccc(Cl)cc3)cs2)cc1OC 169942362 JPUJRQFSXRJNHJ-FMCGGJTJSA-N 431.945 5.716 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@@H]2c2ccc(O)cc2)cc1 169959386 YTZDVZHUBMWKPW-XMMPIXPASA-N 443.499 5.136 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccc(OC(C)C)c1 169981016 IIEWGRKVGRSALQ-DEOSSOPVSA-N 435.564 5.859 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@@H]2c2ccncc2)s1 170017408 LRNRUZUYSCJBPO-HXUWFJFHSA-N 447.560 5.235 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 170029364 DMRJICGSBZFNBK-RUZDIDTESA-N 441.527 5.793 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccc2ccccc12 170045274 PMXDUOVSQLQEON-DEOSSOPVSA-N 439.467 5.220 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@H]2c2ccccc2)ccc1F 170049337 UPWQVLCFHRHTJZ-DEOSSOPVSA-N 443.518 6.215 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)cc1C 170062468 LFFTXGNMBOLGIZ-JOCHJYFZSA-N 435.882 5.879 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccccc2F)cc1 170070379 JDZQKEWXGJZNJE-QFIPXVFZSA-N 435.882 5.824 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1cccc(O)c1)c1cccc(Cl)c1 170081075 JWDXSPHFYWSPMZ-FQEVSTJZSA-N 440.282 5.482 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccc(OC)c2)cc1C 170118136 LDVIULIHSVWSFB-XMMPIXPASA-N 443.499 5.185 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@H]1c1ccc(C(C)(C)C)cc1 170149973 TVPJPPMLIUNNLE-OAQYLSRUSA-N 441.955 5.634 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1cccs1 170163586 ZJBHVERVYAXBMK-JOCHJYFZSA-N 446.572 5.528 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccnc2)cc1C(C)(C)C 170188034 RWMBUBBIWAYMSD-HSZRJFAPSA-N 442.515 5.171 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@@H]1c1cccc2ccccc12 170220886 ADNFYWIBAQJAGX-VWLOTQADSA-N 441.527 5.543 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1ccccc1 170224190 WBFDJBFPKZFZPB-JOCHJYFZSA-N 447.918 5.748 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@@H]1c1ccc(Cl)cc1 170236821 HZQWIMGFWXCAKE-NRFANRHFSA-N 425.912 5.043 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccccc1F 170249670 HPEQFUNVZFPDBQ-QHCPKHFHSA-N 427.431 5.663 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccco2)cc1 170289432 MJNBWQKXMVAINH-HSZRJFAPSA-N 431.488 5.468 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2C2CCCCC2)o1 170308256 MTTDDVSPNRSHQT-HSZRJFAPSA-N 437.536 5.534 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1c1ccc(F)cc1 170313788 HLGQXEHYWGYWFN-FQEVSTJZSA-N 432.476 5.460 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2cccc(OCC(C)C)c2)=C(O)C(=O)N1c1ccccc1 170314815 KMHIBOJKDJOEBU-JOCHJYFZSA-N 447.556 5.874 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3cc(Cl)ccc3OC)=C(O)C(=O)N2CCC)c1 170323470 UEYMEXGOFIMQCB-NRFANRHFSA-N 443.927 5.126 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1Cl 170376361 OCHPTMGSUBENGU-NRFANRHFSA-N 437.854 5.271 30 10 IKEE Cc1ccccc1/C=C1\S/C(=N\N=C/c2ccc(N(C)C)cc2)N(Cc2ccco2)C1=O 210655540 MJHMVHFIVFHDLO-CZBWFEOZSA-N 444.560 5.161 30 10 IKEE N#Cc1c(N=c2oc3ccccc3cc2C(=O)Nc2ccccc2F)sc2c1CCCC2 252666502 BRAMISPCCLCSJD-UHFFFAOYSA-N 443.503 5.869 30 10 IKEE CCc1ccc(N=C2S/C(=C\c3ccc(F)cc3)C(=O)N2c2ccc(CC)cc2)cc1 254556045 YDCLQDJDJSNFFE-AIMMPNMZSA-N 430.548 6.759 30 10 IKEE O=[N+]([O-])c1ccc(O)c(C=Nc2ccc3oc(-c4c(F)c(F)c(F)c(F)c4F)nc3c2)c1 254559861 LCHXCIILDVDBTD-UHFFFAOYSA-N 449.291 5.555 30 10 IKEE CC(C)(C)c1ccc(CSc2nc(-c3ccccc3)cn2N=Cc2cccs2)cc1 254761488 CSIBOFGKHVQOOA-UHFFFAOYSA-N 431.630 7.084 30 10 IKEE CCOc1cc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccs2)ccc1OC 526486760 OUZLSSSNKOTVJV-QFIPXVFZSA-N 432.501 5.084 30 10 IKEE CCCCOc1ccc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526488729 MMENKIJRVNYONQ-HSZRJFAPSA-N 430.529 5.856 30 10 IKEE CCCOc1ccc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2ccccc2C#N)cc1OC 526606971 QYQJGLACMNDRHN-QHCPKHFHSA-N 446.528 5.474 30 10 IKEE CC(C)Oc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)cc2F)c1 526711266 ZMZIMJITJBFIKZ-HSZRJFAPSA-N 449.453 5.535 30 10 IKEE CCOc1ccc(/C=N\n2c(CC)nnc2SCc2cc(C)cc(C)c2)c(OCC)c1 526809476 GMOFZGDRCQQVKN-MYYYXRDXSA-N 438.597 5.429 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)c(F)c1F 689648759 XYSLSPQNQACQDM-WMLDXEAASA-N 433.337 5.237 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1cc2cscc2s1 693975389 ROKCYLMSYBXWCR-HNNXBMFYSA-N 449.395 6.732 30 10 IKEE C[C@@H]1N(Cc2ccccc2)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 698901616 KBSGILILVCBDJQ-UUOWRZLLSA-N 425.960 5.638 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)CC1 704033138 UJTDRWNSEMTWLY-XMMPIXPASA-N 429.561 5.107 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCN(C(=O)OC(C)(C)C)CC1 704042115 JHNIIDKLQDJMEQ-DEOSSOPVSA-N 445.560 5.120 30 10 IKEE Cc1ccc(-c2csc(NN=Cc3ccc(OC(=O)c4ccccc4Cl)cc3)n2)cc1 1081086745 CZPMPYCAHRLXGE-UHFFFAOYSA-N 447.947 6.437 30 10 IKEE C[C@@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@]43C)[C@@H]1CCC2=NN=C/C=C\c1ccc([N+](=O)[O-])cc1 1084023709 PZDUXRAQOKZFJJ-PPASQZDRSA-N 447.623 7.468 30 10 IKEE CN(C(=O)[C@@H]1[C@@H](C=C(Cl)Cl)C1(C)C)[C@H](C#N)c1ccccc1CCc1ccccc1 1088731049 OAYASILIDCOINE-XPNTWCBSSA-N 441.402 6.086 30 10 IKEE CCc1ccc(/C=C2\SC(=Nc3cccc(C(=O)O)c3)N(C3CCCCC3)C2=O)cc1 1772735249 IOOWEZFKWMTONV-JXJWTFEASA-N 434.561 5.884 30 10 IKEE COc1ccc(/C=C2\SC(=Nc3cccnc3Cl)N(C3CCCCC3)C2=O)cc1 1772735862 VXQJOALAXQDZTI-ZQFCNSAKSA-N 427.957 5.680 30 10 IKEE Cc1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=S)Nc2ccccc2)CCC3)cc1 1772751356 PIBXJLIHDUXCFP-UHFFFAOYSA-N 433.533 5.143 30 10 IKEE C/C=C1\C(=O)[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCC(=O)OCC)[C@@]2(C)CC[C@@H](O)C[C@@H]12 1848433116 UIZPQBGXOSLNML-QAZAOYLOSA-N 444.656 5.721 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)COc1ccccc1OCC 1861636933 SUGCXAIXYZAQDW-RUZDIDTESA-N 434.621 5.006 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)COc1ccc(Cl)c(C)c1 1861638876 FUFRXXNRFLCXEP-JOCHJYFZSA-N 439.040 5.569 30 10 IKEE CCCCCCCCNC(=O)[C@@H](NC(=O)c1ccc(OCC(C)C)cc1)c1ccccc1 1861771721 UPDFUUBMTTZYPH-VWLOTQADSA-N 438.612 5.669 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)COc1ccccc1OC 1861784689 NGLGDAHXVLGLJF-OAQYLSRUSA-N 434.621 5.006 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccc(N(CC)CC)cc2)cc1 1862393966 GVPFBEYKRNZFIV-VWLOTQADSA-N 448.607 5.862 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc3c(c2)OCCO3)cc1 1862397440 PHPKODCWXDQLDJ-XMMPIXPASA-N 449.547 5.035 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccccc1 1862412956 RHWCJFMXKHQIAR-PGRDOPGGSA-N 427.491 5.902 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1862445168 PZBAAMYDWBGZNG-PEBXRYMYSA-N 449.890 5.091 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(Br)c1 1862452441 CEDDQTZRIADIPJ-SFHVURJKSA-N 448.744 5.481 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccccc2F)cc1 1862473992 IXURCZOOLIJISS-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cccc(C)c1 1862490199 PRQWCZMTFGCIBA-WIOPSUGQSA-N 433.592 6.549 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(F)cc1 1862490221 QGXBIOIXVDDRDY-XMMPIXPASA-N 445.490 5.230 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2ccccc2)cc1 1862515475 WHSKPTRMPBZNQK-VWLOTQADSA-N 441.527 5.562 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862625508 IBLWUNXEIMFQEP-DEOSSOPVSA-N 445.515 5.193 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2cc(Cl)cc(Cl)c2)cc1 1862667522 DJNKAPLGUMJTSZ-FQEVSTJZSA-N 430.331 5.858 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2cccc(OC)c2)cc1 1862687258 IRZGUAMILFHDER-HSZRJFAPSA-N 435.520 5.005 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2c(Cl)cccc2Cl)cc1 1862689983 DZRNPIJWBNZJFX-LJQANCHMSA-N 434.319 5.236 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3cccc4ccccc34)C2=O)c(C)c1 1862847548 TVCHAPSIUDXZNX-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccccc2Cl)C1=O 1863446673 HYOUTMOWXZIEQM-LJQANCHMSA-N 435.955 5.763 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCCC)=C(c2ccc(C)c(C)c2)C1=O 1863606403 DMTJFTAYJIGNDS-UHFFFAOYSA-N 426.645 6.304 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccccc2OC)=C(c2cc(C)ccc2C)C1=O 1863742025 YDQNVJABTLRBOF-UHFFFAOYSA-N 448.607 5.542 30 10 IKEE CC[C@@](C)(NC(=O)C[C@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866746376 OQOAQKQSOVONOK-RPLLCQBOSA-N 433.596 5.735 30 10 IKEE CCCC[C@@H](NC(=O)C[C@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866773456 AYBVPCWDYZLOLM-BJKOFHAPSA-N 449.595 5.319 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)c2cccc(C)c2)n(-c2ccc(Cl)c(Cl)c2)n1 1870003723 HQCZQOYVGQDHBS-UHFFFAOYSA-N 442.350 5.313 30 10 IKEE C=CCOc1cn(C[C@H](O)c2ccc(Cl)cc2)c(CSCc2ccccc2)cc1=O 1870245827 GPEUIBWOUGTYHD-QHCPKHFHSA-N 441.980 5.234 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2Cl)c(CN2CCCCC2)cc1=O 1870408902 CHOXBCIEBASHPI-UHFFFAOYSA-N 431.020 5.885 30 10 IKEE CCCCCCCCCCn1cc(OCC(C)C)c(=O)cc1CNc1ccc(C)cc1 1870858401 HWIKUMRTBRRJFY-UHFFFAOYSA-N 426.645 6.944 30 10 IKEE C=CCn1cc(OCc2ccc(F)cc2)c(=O)cc1CNc1cc(C(C)C)cc(C(C)C)c1 1871073941 YVRCITDRTWQLBV-UHFFFAOYSA-N 448.582 6.611 30 10 IKEE CCCCCCCCn1cc(OCCCO)c(=O)cc1CNc1ccc(C(C)(C)C)cc1 1871266846 RMVZBDRSTWPSFB-UHFFFAOYSA-N 442.644 5.880 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)CCCOc4ccccc4C)ccc3C2=O)cc1 1871369265 CGGNZRFRKVRBFK-ONUIUJJFSA-N 442.511 5.938 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(OC)c2)C3=O)cc1 1871375609 UWICMKHVLWVMEV-IWIPYMOSSA-N 444.483 5.167 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccncc1)C2=O 1871382884 IRGLNCQCSSLBIL-ZDLGFXPLSA-N 442.254 5.232 30 10 IKEE CCCOc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2F)C3=O)c1 1871387700 KHMVVMRCAKONIO-UCQKPKSFSA-N 432.447 5.758 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCCCCOc4ccc(C)cc4)ccc3C2=O)cc1 1871403600 OWERFFWIRLZVCL-ONUIUJJFSA-N 430.500 5.858 30 10 IKEE CC(C)=C1Oc2cc(O[C@@H](C)C(=O)Nc3ccc(Oc4ccccc4)cc3)ccc2C1=O 1871405567 GFCUVUTYAVIALO-KRWDZBQOSA-N 429.472 5.754 30 10 IKEE COc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccc(C)cc4)ccc3C2=O)cc1 1871408360 RXYUVAROCBMGBU-PDESAOGPSA-N 429.472 5.026 30 10 IKEE COc1ccc(C)cc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1cccs1)C2=O 1871428419 AAUUAJJVVCMIBP-MTJSOVHGSA-N 435.501 5.007 30 10 IKEE N#Cc1ccccc1COc1ccc2c(c1)O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O 1871437203 LWTFSMISARJJLW-AQHIEDMUSA-N 445.858 5.273 30 10 IKEE Cc1cc(OCc2ccccc2C#N)cc2c1C(=O)/C(=C/c1ccc(-c3ccccc3)cc1)O2 1871437402 VWRVZACUKNNXEM-NTFVMDSBSA-N 443.502 6.729 30 10 IKEE CCCCCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(F)c(C)c3)cs2)cc1 1872772541 PIRUFEMNLRVFFN-NRFANRHFSA-N 436.552 6.707 30 10 IKEE CC(C)c1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1 1872776022 GVHXTFXORFATPO-FGZHOGPDSA-N 443.572 5.158 30 10 IKEE COc1ccccc1CC(=O)[C@H](C#N)c1nc(-c2cc(Cl)c(OC)c(Cl)c2)cs1 1872785540 PKPNJKSIBAUYSO-AWEZNQCLSA-N 447.343 5.553 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2Cl)C(=O)N([C@@H]2CCCC[C@@H]2C)C1=O 1873032390 QTYKKGXGLLOLJN-GHTZIAJQSA-N 431.020 5.949 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC2CCCC2)=C(c2cccc(OC)c2)C1=O 1873043508 VZNNXFVSDZOYBP-UHFFFAOYSA-N 426.601 5.448 30 10 IKEE CCCCCCCCN1C(=O)C(NCCC2=CCCCC2)=C(c2ccccc2OC)C1=O 1873152497 IBUSPNNUNFSDED-UHFFFAOYSA-N 438.612 5.616 30 10 IKEE CCCCCCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCC)C1=O 1873168677 FRNVRBYAYBQIAV-UHFFFAOYSA-N 435.612 5.534 30 10 IKEE CCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C/c1cccc2[nH]ccc12 1873502009 ZZHSTHLBJWLBKR-JVWAILMASA-N 431.609 6.184 30 10 IKEE Cc1ccc(-n2ncc(N/N=C/c3cccc(Oc4ccccc4)c3)c(Cl)c2=O)cc1 1873525763 VOWGRQJDZZUTIK-CVKSISIWSA-N 430.895 5.433 30 10 IKEE C=CCN(CC=C)C(=O)c1cc2c(N(CCC)CCCC)ncnc2n1Cc1ccccc1 1873555983 PBATXGHOOQOVCY-UHFFFAOYSA-N 445.611 5.310 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(Cl)cc1)n2CCC 1873619436 AEYTWRYYYCYHNP-UHFFFAOYSA-N 442.007 6.519 30 10 IKEE CCCOc1cccc(/C=N/n2c(CCCOc3c(C)cccc3C)nnc2SC)c1 1874224879 HIAZNILSJLIWPN-KOEQRZSOSA-N 438.597 5.299 30 10 IKEE C=C(C)CSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1ccccc1O 1874225281 CMCMFTYIGUUUEH-MFKUBSTISA-N 436.581 5.163 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccccc3Cl)n2/N=C/c2ccc[nH]2)cc1 1874265932 XEICHWRKZHFFAI-DHRITJCHSA-N 437.956 5.322 30 10 IKEE Cc1ccc(C)c(CSc2nnc(COc3cccc(C)c3C)n2/N=C/c2ccc[nH]2)c1 1874323227 FHJZPSBNYYJKCI-MZJWZYIUSA-N 445.592 5.593 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3Cl)n2/N=C/c2cccnc2)cc1C 1874358711 WCTJRGVPDYMEHG-JFLMPSFJSA-N 447.995 5.709 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2/N=C/c2ccccn2)cc1C 1874359088 OIAPIORVQWKXPX-JFLMPSFJSA-N 447.995 5.709 30 10 IKEE Fc1ccc(Cc2nnc(SCc3cccc(F)c3)n2/N=C/c2cccs2)cc1 1874377695 JFPOIGVYRLGSEM-ZMOGYAJESA-N 426.517 5.383 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2)n1/N=C/c1ccc(C(=O)O)cc1 1874395764 VHPOVTCGNOBORI-CVLFLDGLSA-N 442.544 5.303 30 10 IKEE Cc1ccccc1/C=N/n1c(CCc2ccccc2)nnc1SCc1cccc(Cl)c1 1874404175 LLDPQTRXGNFESI-WPWMEQJKSA-N 447.007 6.200 30 10 IKEE COc1ccccc1/C=N/n1c(Cc2cccs2)nnc1SCCc1ccccc1 1874413118 DGKFGZHSMWUJJY-JJIBRWJFSA-N 434.590 5.156 30 10 IKEE COc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2c(F)cccc2Cl)c1 1874442009 PLLJSIALIUGVMH-DHRITJCHSA-N 446.979 5.842 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCCc3ccccc3)nnc2[C@H]2CCCO2)cc1 1874446248 WTDSDAZIKAKCSM-HWBIBUKPSA-N 449.624 5.193 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C/c1cccc(Br)c1 1874477117 JZSDQGFGWNEVNE-YDZHTSKRSA-N 447.377 5.697 30 10 IKEE CCOc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2cccc(F)c2)cc1OC 1874489176 DPFXJHJYZGZEHR-AFUMVMLFSA-N 442.560 5.198 30 10 IKEE C=CCSc1nnc(CC(C)C)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874490396 ONNFBVDQGIBJRR-MFKUBSTISA-N 441.000 5.869 30 10 IKEE CC(C)c1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc(C(F)(F)F)cc1 1874513650 JLZOGDARLKUICX-OPEKNORGSA-N 438.906 6.248 30 10 IKEE COc1cccc(/C=N/n2c(S)nnc2CC(C)C)c1OCc1c(F)cccc1Cl 1874559182 BRPNOFZIFTYWPD-BHGWPJFGSA-N 448.951 5.028 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(F)cc2)c1 1874572367 JSSMLNKAXXIDPD-VZUCSPMQSA-N 439.870 5.401 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2c(OCC(=O)N(CC)CC)ccc3ccccc23)cc1 1874574081 UEZZHLCEGVNFJJ-VHEBQXMUSA-N 443.587 6.326 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccc(C)cc3)c2)cc1 1874593445 KFYVSVWOLPSULE-QGOAFFKASA-N 427.544 6.251 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1OCc1cc(C)ccc1C 1874597006 OYQCITADUOZJML-RMKNXTFCSA-N 430.500 5.558 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OCC(=O)Nc1cc(C)ccc1C 1874611515 MPPXYKVWPTTZMM-ACCUITESSA-N 445.515 5.234 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OCC(=O)Nc1c(C)cccc1C 1874620134 KVRBWJYCKJXZOT-XYOKQWHBSA-N 447.506 5.673 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3cccc4ccccc34)cc2)o1 1874623515 GSNYETXTTSYXJJ-FOWTUZBSSA-N 426.468 6.085 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1 1874625637 OOFLCBIGGZGNAA-KGENOOAVSA-N 428.572 7.511 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccccc2-c2ccccc2)c1)c1cccc([N+](=O)[O-])c1 1874692518 KZUPZDFCKKIROS-WUKNDPDISA-N 449.462 6.377 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccccc3[N+](=O)[O-])c2)cc1 1874701396 QONPMHNACNDGFY-XNTDXEJSSA-N 431.444 5.038 30 10 IKEE COc1ccc(OCCCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(F)c(C)c3)c2)cc1 1874703991 RPBJMWSOBZNADD-OVCLIPMQSA-N 448.490 5.803 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc(-n4cccc4)cc3)c2)c1C 1874711347 WPWQBTWMJNIQDX-XNTDXEJSSA-N 449.550 6.826 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1OC(=O)c1ccc(Cl)cc1 1874711822 IWOQONIIVVXLSF-WUXMJOGZSA-N 448.946 6.698 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OC(=O)c1ccc(Cl)cc1 1874716243 JJAKAWDOFUDRMI-VZUCSPMQSA-N 434.919 6.389 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2cccs2)CSc2nnc([C@H]3CCCO3)n21 1874938393 VHPJDBPRGSVHRX-DLBZAZTESA-N 434.631 5.253 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3Cl)cc2)cc1C 1875104792 OFQVFHINGLWZBX-WUXMJOGZSA-N 425.311 6.726 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1 1875108951 OKQMZVFDWFNNSS-OVCLIPMQSA-N 427.338 6.221 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1Br)c1cccnc1 1875113603 PERLCNMVWLWOAJ-VQHVLOKHSA-N 442.696 5.613 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccccc1F 1875132167 IQZNISOHVWOBCX-UXBLZVDNSA-N 445.273 6.256 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)C(F)(F)F 1875132959 WRNWCELXUBAQOH-XVNBXDOJSA-N 433.209 5.756 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1 1875133835 FDFVZXIFZVMRPM-RIYZIHGNSA-N 425.311 6.428 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)CCOc1ccccc1 1875139954 JKIBASCCJYRSKC-ACCUITESSA-N 430.500 5.583 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(OC)ccc2OC)cc1OCC 1875147490 WCRSLISVLDUOQF-SDNWHVSQSA-N 440.536 5.874 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3ccccc3)c(OC)c2)cc1F 1875152443 MLRXBAVKBPTFED-CSKARUKUSA-N 440.854 5.612 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(Cl)c3)c([N+](=O)[O-])c2)cc1C 1875174630 BAMHKGVXNCLURD-JXMROGBWSA-N 435.863 5.980 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3[nH]c4ccc(C)cc4c3C)cc2)c(C)c1 1875182698 QHVNYMPCOXSBIS-UKTHLTGXSA-N 437.539 6.825 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(Cl)ccc3Cl)cc2)cc1 1875191503 PEDVSWISPRGZSP-YIXHJXPBSA-N 427.283 6.117 30 10 IKEE N#Cc1ccc(OCc2cc(Br)ccc2Br)c(Br)c1 1889067256 RMOFSYGCFWFXAJ-UHFFFAOYSA-N 445.936 5.425 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]([C@@](C)(C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)C1 1911092407 JIIGCNUBGMAVFH-YGKZAACZSA-N 449.617 5.461 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C12CCC2 2008161844 CUONNCKUZXSZNG-DEOSSOPVSA-N 427.545 5.254 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)[C@H]2C[C@@H]21 2008450359 ZPFNNIBGWLZAPF-IUKKYPGJSA-N 447.963 5.373 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@@H](C#N)[C@]1(C)CCCN1C(=O)OC(C)(C)C 2020805066 WYOZSKJKJABOHW-MBSDFSHPSA-N 449.979 5.763 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]2CC(C)(C)CN2C(=O)OC(C)(C)C)c1 2033715018 DDNZRYBGQQSZPO-WOJBJXKFSA-N 443.588 5.664 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CN(C(=O)OC(C)(C)C)CC3(CC3)C2)cc1 2037322202 SPKSWLLTGYQKNI-VWLOTQADSA-N 441.572 5.420 30 10 IKEE COCCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CN(Cc2ccccc2)C2(CCCCCC2)C1 2038911909 GFACEEPPVCTJDW-SANMLTNESA-N 441.616 5.131 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)C[C@H](C)C2)cc1 2041561331 ZPLJDQGXCZXYMQ-CLOONOSVSA-N 443.588 5.666 30 10 IKEE N#C[C@@]1([C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CC=CCC1 2071348086 GLNODQXTSYDBEP-WUFINQPMSA-N 425.528 6.128 30 10 IKEE C=C(CCNC(=O)OC(C)(C)C)CN[C@H]1CN(Cc2ccccc2)C2(CCCCCC2)C1 2076346997 OBEKGDVMPJJBSF-XMMPIXPASA-N 441.660 5.415 30 10 IKEE Cc1ccc([C@@H](C2CC2)n2nc(C(C)C)c(/C=N/O)c2I)cc1C 2079101591 FHERCZSVNIWSKW-VMHWHBCQSA-N 437.325 5.035 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2094885022 MWXNTZMYZYDARD-IEMBSSLISA-N 447.579 5.526 30 10 IKEE CCCN[C@]1(C#N)C[C@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)CC(C)(C)C1 2127194158 ZMDSATGXNADVCV-XRKRLSELSA-N 446.683 5.461 30 10 IKEE CCCCCCCCCC[C@@H](O)c1c(Br)sc(Br)c1Cl 2164492858 NABSTKJPFWAIDO-LLVKDONJSA-N 446.676 7.491 30 10 IKEE CCCCCCCC[C@H](CO)N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CCC1 2211048275 HPCWABMEANPINM-HSZRJFAPSA-N 449.635 6.902 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 2220395465 YONDQENJDQNBNN-SRGWNRLKSA-N 447.551 5.495 30 10 IKEE C=C(Cl)C[C@@H](NCCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229131518 CHJXAFRNYKTANO-QZTJIDSGSA-N 445.829 5.396 30 10 IKEE C=C(C(=O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)c1ccccc1 2237413887 NQVSUPQBWSCCDL-LJQANCHMSA-N 430.342 5.167 30 10 IKEE CN[C@H](C#Cc1ccc(Cl)cc1)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2239458250 KAYKAZOUKUPRLE-GOSISDBHSA-N 449.776 5.762 30 10 IKEE CCCCCCCC[C@@H](NC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248457578 DIZMEVSZQCUBDM-HSZRJFAPSA-N 432.649 5.779 30 10 IKEE Cc1csc(C(=O)N(Cc2ccccc2)[C@@H](C)C(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255634750 URWVDFUBVKZXFW-SFHVURJKSA-N 441.446 5.433 30 10 IKEE C=C(COCc1ccccc1)[C@](C)(OCCN)c1cc2cc(Br)ccc2o1 2293328796 JERBEROLKIZPJI-QFIPXVFZSA-N 430.342 5.159 30 10 IKEE CCc1ccccc1N=C1SC(=Cc2ccccc2OC)C(=O)N1c1ccccc1CC 2297455942 ZJXFXNJPTOKNLR-UHFFFAOYSA-N 442.584 6.629 30 10 IKEE O[C@@H](C#Cc1cccs1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2300845592 ZDZLULHNWJQPFS-VWLOTQADSA-N 426.537 5.991 30 10 IKEE O=C(C=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(NC(=O)c2cccs2)c1 2314523562 YZWCQXYLKPPZPF-UHFFFAOYSA-N 444.468 6.065 30 10 IKEE Cc1ccccc1C=NN=C1SC(=Cc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccco1 2314818185 BMJBJCSURYQOJP-UHFFFAOYSA-N 446.488 5.003 30 10 IKEE CC[C@@H](C)N(Cc1ccccc1)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(F)(F)F)n1 2317355029 UANVTGMGJVSMEJ-MRXNPFEDSA-N 434.311 5.205 30 10 IKEE C=C(C)CSc1nnc(C2CC2)n1N=Cc1ccc(OCc2ccc(C)cc2)c(OC)c1 2320850091 XHJYVFBWJISNHR-UHFFFAOYSA-N 448.592 5.602 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CC2)cc1 2320858388 MJMPDJUTBZKQOR-UHFFFAOYSA-N 441.000 6.162 30 10 IKEE CC(C)Cc1nnc(S)n1N=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 2321908010 GCFNVZKOPCFVDB-UHFFFAOYSA-N 435.380 5.533 30 10 IKEE CCCCOCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccccc1Cl)C3=O 2322145535 JYIHXBURPDDHFU-UHFFFAOYSA-N 441.955 5.623 30 10 IKEE COc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(Cc1cccc(C)c1)C3 2322217915 YPWRZJSMCQVZKK-UHFFFAOYSA-N 427.500 5.280 30 10 IKEE CCCNC(=O)COc1c(C=CC(=O)c2ccc3ccccc3c2)cc(Cl)cc1OC 2322321623 DQPSXROEDQUMSH-UHFFFAOYSA-N 437.923 5.303 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)C=Cc2ccc(Cl)c(Cl)c2)nc2ccccc12 2322545899 CTHYBLKIWGMFJE-UHFFFAOYSA-N 448.313 5.559 30 10 IKEE Cc1cc(OC(=O)c2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1c(F)cccc1Cl)O2 2322705091 GDWRDUXDOMFYBJ-UHFFFAOYSA-N 443.257 6.276 30 10 IKEE Cc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(Br)cc2)C3=O)c1 2322884129 FUDXEWLVZNJFKJ-UHFFFAOYSA-N 449.300 5.901 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2cccc(OCC(=O)NCc3ccccc3)c2)c1C 2323259422 FHORKRRNRLJWGV-UHFFFAOYSA-N 427.544 5.512 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4C)cc(C)c3C2=O)cc1 2323270601 ZYYSKDXSCQBQST-UHFFFAOYSA-N 443.455 5.609 30 10 IKEE COc1cc(C(=O)C=Cc2cccc(OCc3ccccc3Cl)c2)c(OC)cc1Cl 2323272105 ANLIGMFGDDTAQE-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cc(C)cc(C)c3)cc2)cc1C 2323559898 SZSLVQKVENTNIH-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1C 2323791495 NWRYBXWBJDPSKD-UHFFFAOYSA-N 441.354 7.176 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OCC(=O)Nc1cc(C)ccc1C 2324197341 RFVULALYLWWSAJ-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1ccc(C)o1)C2=O 2324339411 YNTDVQOTQJPTLO-QGZVFWFLSA-N 431.488 5.481 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OCc2ccccc2F)c([N+](=O)[O-])c1 2324372141 GKZQNDQGAFLDQN-UHFFFAOYSA-N 435.451 5.834 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3C)c(Br)c2)cc1C 2324450454 VYWPXECITNEUDC-UHFFFAOYSA-N 435.361 6.849 30 10 IKEE O=C1C(=Cc2ccccc2Cl)Oc2cc(OCCCOc3ccc(Cl)cc3)ccc21 2324545918 BRRNOHMRRYJTST-UHFFFAOYSA-N 441.310 6.458 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)ccc1OCc1ccc(C)cc1 2324666141 FXBNHQDGVGVGAE-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE CCOC(COc1cc(C)c2c(c1)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O)OCC 2324741834 AQWHRMQVKPNTEF-UHFFFAOYSA-N 437.319 5.696 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1N=Cc1cccc(Br)c1 2325559075 DJMICVKUKQSISS-UHFFFAOYSA-N 449.805 5.821 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(OC)cc3OC)c2)cc1 2325705414 BIOOMGWJVLVGOP-UHFFFAOYSA-N 430.500 5.310 30 10 IKEE Cc1cc(C(=O)C=Cc2cccc(OC(=O)c3ccccc3-c3ccccc3)c2)ccc1F 2325742146 ODPUNWBPZXNRHN-UHFFFAOYSA-N 436.482 6.916 30 10 IKEE CCOc1cccc(C(=O)Oc2cccc(C=CC(=O)c3cc(C)cc(C)c3OC)c2)c1 2325757846 KQLUVPKCSKIOGA-UHFFFAOYSA-N 430.500 5.826 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 2325759816 BVSOZDCKBARIHC-UHFFFAOYSA-N 445.471 5.644 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(C=CC(=O)c3c(C)cc(C)cc3C)ccc2OC)c1 2325764392 FRRRIDFIBHJRIY-UHFFFAOYSA-N 444.527 6.134 30 10 IKEE CCCSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1c[nH]c2ccccc12 2326339775 WIFWRDQULOXQCE-UHFFFAOYSA-N 447.608 5.718 30 10 IKEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(OC(C)C)cc1 2326513561 RNGYZPZPCHLGAJ-UHFFFAOYSA-N 435.380 5.855 30 10 IKEE C(=Nn1c(Cc2cccc3ccccc23)nnc1SCCc1ccccc1)c1cccnc1 2327754347 YEQUZZHOMPWXIP-UHFFFAOYSA-N 449.583 5.634 30 10 IKEE Cc1ccc(C=Nn2c(CCc3ccccc3Cl)nnc2SCc2ccccc2)cc1 2327956985 WDQPJFHSRQEKHL-UHFFFAOYSA-N 447.007 6.200 30 10 IKEE CCSc1nnc(COc2ccc(OC)cc2)n1N=Cc1c(OC)ccc2ccccc12 2328371880 RKBBMIXYKSYDKX-UHFFFAOYSA-N 448.548 5.022 30 10 IKEE C=CCSc1nnc(CCc2ccccc2OC)n1N=Cc1c(Cl)cccc1Cl 2328699587 AUSMOYXCXTXYCT-UHFFFAOYSA-N 447.391 5.539 30 10 IKEE Fc1ccc(C=Nn2c(Cc3ccc(Cl)cc3)nnc2SCc2ccccc2)cc1 2329101055 ZDLFXWAVBXHBJN-UHFFFAOYSA-N 436.943 5.836 30 10 IKEE Clc1ccccc1CSc1nnc(CCOc2ccccc2)n1N=Cc1ccc[nH]1 2329200348 USFJBQRBKGPJHZ-UHFFFAOYSA-N 437.956 5.056 30 10 IKEE CCCSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(OCC)c(OCC)c1 2329600317 RUKOKLKBOOWKND-UHFFFAOYSA-N 444.988 5.780 30 10 IKEE C=CCSc1nnc(CC2CCCCC2)n1N=Cc1ccc(OCCCC)c(OC)c1 2330277479 BVODNHKROUGKDL-UHFFFAOYSA-N 442.629 5.749 30 10 IKEE Cc1ccc(O)c(C=Nn2c(Cc3cccs3)nnc2SCc2ccccc2F)c1 2330393683 GIIZMJPBRRLJGN-UHFFFAOYSA-N 438.553 5.258 30 10 IKEE C=CCSc1nnc(-c2cccs2)n1N=Cc1ccc(OCCCCC)c(OC)c1 2330590405 KIJPTBIHAIAJRY-UHFFFAOYSA-N 442.610 5.745 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)c1cccc([N+](=O)[O-])c1 2330621809 AUQLGYQZEGEWAK-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)cc2)c1 2330775753 GHSRZGYKOJSJFQ-FQEVSTJZSA-N 444.527 6.088 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)cc(Cl)c1OC(=O)CC(C)(C)C 2330791430 VPRIVSUMBHMJGV-UHFFFAOYSA-N 430.928 5.985 30 10 IKEE COc1ccccc1C=Nn1c(CC(C)(C)C)nnc1SCc1c(F)cccc1Cl 2330881144 DSPWLEYTFVAIBA-UHFFFAOYSA-N 446.979 5.842 30 10 IKEE Cc1ccc(CSc2nnc(C3CCCC3)n2N=Cc2cccc3ccccc23)cc1 2331018450 UOKOLTFCECLLJO-UHFFFAOYSA-N 426.589 6.572 30 10 IKEE O=[N+]([O-])c1cccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CCCC2)c1 2331086578 QENBXJBVHWWOIB-UHFFFAOYSA-N 441.944 5.672 30 10 IKEE C=CCSc1nnc(C(F)(F)F)n1N=Cc1ccc(OCCCCC)c(OC)c1 2331142957 ZOIZKFCKXXQGDY-UHFFFAOYSA-N 428.480 5.035 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)Cc1ccc(F)cc1 2331230048 FSBKLYVQXNIPCD-UHFFFAOYSA-N 432.491 5.885 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3ccc(Cl)cc3)cc2)cc1 2331259106 LWZAOPWKDUSBIL-UHFFFAOYSA-N 434.919 6.309 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1 2331362310 VHXRZGNSNRGEDI-UHFFFAOYSA-N 435.407 5.166 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC(=O)CCCC 2331429908 SKUVYKQIQIMXBD-UHFFFAOYSA-N 434.576 6.713 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H]3CCCO3)c(Br)c2)cc1 2331495996 AZPSGGLSYWBCMJ-JOCHJYFZSA-N 443.337 5.553 30 10 IKEE COc1ccc(OC)c(C=Nn2c(SCc3cccc(Cl)c3)nnc2C(C)C)c1 2331708258 XQXBPHBDJVAWMZ-UHFFFAOYSA-N 430.961 5.247 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)cc3)cc2)c(OCC)c1 2331731284 ZACPIDXWFGDHDB-UHFFFAOYSA-N 430.500 5.908 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OC(=O)c2cccc(Cl)c2)cc1 2331741377 IMKWHMXYTWNQQY-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE CCCCCCCCC[C@H](NC)c1cc(Br)ccc1OCc1ccccc1 2361214037 JCNVOIWJNGMYHK-QHCPKHFHSA-N 432.446 7.429 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Br)cc(OC2CC2)c1 2362709901 RMWHEGQLAUTVLD-MOPGFXCFSA-N 439.394 5.110 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C/c2c(Cl)cccc2Cl)C3=O)cc1 2410214 DIMKHRGTGAWQFP-CIAFOILYSA-N 441.266 5.837 30 10 IKEE C=C(C)CN1C(=O)[C@@H](C)Oc2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)cc21 12081433 ISQZZMYRANKXFB-ZIAGYGMSSA-N 449.334 5.089 30 10 IKEE CCC(C)(C)C1C/C(=C/c2ccc3c(c2)OCO3)C(=O)/C(=C\c2ccc3c(c2)OCO3)C1 16610046 XYUFDRCNZPGSGE-QJUDHZBZSA-N 432.516 6.026 30 10 IKEE COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(N(C)C)cc2)C3)c1 21222936 YZZLFXQXKMUDBM-PIIWDFAUSA-N 439.559 5.741 30 10 IKEE CCCOc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1cccs1)C2 21237555 XJFDCYKQZAQNBV-QLXKLKPCSA-N 430.573 6.516 30 10 IKEE COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccco2)cc(OC)c1OC 21251951 ZRFCFNPDCSTIHQ-SGANQWHYSA-N 446.503 5.285 30 10 IKEE CCCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)cc1 21252781 YJKJEEQZRXPUQH-PIIWDFAUSA-N 442.534 6.594 30 10 IKEE CC[C@H](Sc1nc(-c2ccccc2)cc(-c2cc(OC)ccc2OC)c1C#N)C(=O)O 22868800 PHDILECXPXDNHB-QFIPXVFZSA-N 434.517 5.260 30 10 IKEE CCCOc1ccc2c(c1)C(=NNc1ccc([N+](=O)[O-])cc1)c1cc(OCCC)ccc1-2 27499177 PEKBPPJIHOBPSX-UHFFFAOYSA-N 431.492 6.017 30 10 IKEE Cc1ccc(/N=C2/NC(=O)S/C2=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1C 33567921 XCPFYPZUDAUFLL-NDENLUEZSA-N 442.462 7.110 30 10 IKEE CCn1c2ccccc2c2cc(/C=C(\C(=O)c3ccccc3)c3nc4ccccc4[nH]3)ccc21 34780581 MVRBBBXASCMHMB-LYBHJNIJSA-N 441.534 7.114 30 10 IKEE O=C(/C=C\c1ccccc1)Oc1ccc(/C=C\C(=O)c2ccc(-c3ccccc3)cc2)cc1 34954136 UEWBKIHQFPLXAN-JZTLMNBPSA-N 430.503 6.869 30 10 IKEE CCOc1ccc2oc(C)c(C(=O)Oc3ccc4c(c3)O/C(=C/c3ccco3)C4=O)c2c1 35550493 DFQPTVJEYGJEGE-WSDLNYQXSA-N 430.412 5.568 30 10 IKEE CCOC(=O)/C(=N/Nc1ccccc1)Sc1nnc(-c2ccccc2)n1-c1ccccc1 38194907 PIRUPNNSVZWTTA-QYQHSDTDSA-N 443.532 5.015 30 10 IKEE C=CCc1ccccc1OCc1nc2ccccc2n1CCCOc1cc(C)ccc1C 39907108 QYRLEVRUDZDSKR-UHFFFAOYSA-N 426.560 6.430 30 10 IKEE Cc1oc(NC(=O)COc2c(-c3ccc(Cl)cc3)oc3ccccc3c2=O)c(C#N)c1C 40168680 JANPDIKQGUAGJD-UHFFFAOYSA-N 448.862 5.212 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3c(ccc(OC(=O)c4ccc(C)cc4)c3C)C2=O)c1 41284191 XNUGBVGQNUQMJF-UCQKPKSFSA-N 430.456 5.156 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc(C(C)(C)C)cc3)cc(C)c2C1=O 41288549 HBXXSDMJNLCQCT-IWIPYMOSSA-N 442.511 6.137 30 10 IKEE O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C/c1ccc(-c2ccc(Cl)cc2)o1 59566816 LFVBTYHVGBVYBG-LICLKQGHSA-N 449.746 6.798 30 10 IKEE C=C(C)COc1ccc(NC(=O)CNc2cccc(NC(=O)CCc3ccccc3)c2)cc1 66091183 IKXYFRQRARLKGC-UHFFFAOYSA-N 443.547 5.263 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(N2CCC(C)CC2)c1N 101515742 NXSKMHGZDWLVDL-UHFFFAOYSA-N 431.713 7.188 30 10 IKEE O=C1/C(=C/c2ccc(F)cc2)S/C(=N/N=C\c2ccc(Cl)cc2)N1Cc1ccco1 101916782 BLULKBMRLJLRBD-QCTNQPINSA-N 439.899 5.579 30 10 IKEE Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@@H](C#N)c1ccc(F)cc1F 111222358 WHRSVFDONJPFTN-KRWDZBQOSA-N 445.878 5.235 30 10 IKEE CCCCOc1ccc([C@@H]2NC(=S)N(C)C(C)=C2C(=O)c2ccccc2)cc1OCC 169935021 IPDXGGXRUVIHTO-QHCPKHFHSA-N 438.593 5.282 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)NC(=S)N1 169938065 AKLZOYZKYVOBGG-NRFANRHFSA-N 436.621 5.663 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2cccc(C)c2)cc1 169968500 RVFFFVDDLLDCBW-JOCHJYFZSA-N 435.426 5.065 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccccc2F)cc1C 170070001 VDRMTJQRPRHQQX-JOCHJYFZSA-N 446.434 5.134 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 170078131 MIPINSDVGCLRFJ-XMMPIXPASA-N 439.515 5.560 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@H]2c2ccc(C)o2)cc1 170101482 SNTDKDFPZUWVTI-HSZRJFAPSA-N 447.487 5.087 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccccc1OC 170125715 GCVUDEIDMVATOW-QHCPKHFHSA-N 437.536 5.251 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@@H]1c1ccc(C(C)(C)C)cc1 170150269 QYIIVFILQVLKEH-QHCPKHFHSA-N 433.548 5.297 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccs2)c1 170154367 UZNYYKWOQUSMHV-GOSISDBHSA-N 445.949 5.250 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@@H]1c1cccs1 170158727 SSXKSYJCSFUBIK-JOCHJYFZSA-N 447.556 5.773 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1cccs1 170162937 AKMHOBLBSCMNMP-JOCHJYFZSA-N 446.572 5.528 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC)c2)[C@H]1c1ccc(OCC(C)C)cc1 170167218 FAFAFATVCAWQJH-HSZRJFAPSA-N 437.536 5.108 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@H]1c1ccccn1 170181034 SEKVEGXRIXPSAX-HSZRJFAPSA-N 436.552 5.291 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccncc2)cc1C 170202346 HIYSMKRTKUHUJW-DEOSSOPVSA-N 442.515 5.269 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(OC)ccc3Cl)[C@H]2c2ccccc2)c1 170221474 CWUVZVNDWRIUDA-JOCHJYFZSA-N 449.890 5.140 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccccc2)c(C)c1 170228255 VIWFHRRPKOKUHI-IQGLISFBSA-N 439.511 5.410 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(C(C)C)cc1 170245943 ISJYVMOCSSSGHE-QHCPKHFHSA-N 435.520 5.307 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@H]1c1ccccc1F 170253152 ULMOBIARJTVQJK-OAQYLSRUSA-N 425.500 5.220 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(C)o2)c1 170297964 BBPRVUIWSSDKHE-NRFANRHFSA-N 437.517 5.217 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccc(C)o2)cc1 170301308 QBMOVPWQALTXIL-HSZRJFAPSA-N 447.487 5.167 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccc(C)o2)c1 170302186 WUSZHXVHLPDQRD-VWLOTQADSA-N 437.495 6.141 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(C)o2)c1 170302688 OYQMHUHJEWPCID-NRFANRHFSA-N 437.879 5.423 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2c2ccccc2C)o1 170305537 HWQROUGPDUPRBK-HXUWFJFHSA-N 442.298 5.986 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1c1ccccc1 170314981 ZVHILSWOPSBOHY-QFIPXVFZSA-N 425.509 5.993 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccc(O)c(Cl)c1)c1ccco1 170369095 XDTRBMGJCYHLNO-SFHVURJKSA-N 430.243 5.075 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(N3CCCC3)cc2)[C@H]1c1ccc(F)cc1)c1cccs1 170376028 DKXMXJSSBOARKB-QFIPXVFZSA-N 448.519 5.270 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1nc(-c2ccccn2)cs1 170505200 ANDZAYUNOVASIG-UHFFFAOYSA-N 443.701 8.405 30 10 IKEE Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)Cc3cccc4ccccc34)cc(C)c2c1 170508850 NYQZKZFWCWLXKP-UHFFFAOYSA-N 445.526 5.552 30 10 IKEE CC(=NOC(=O)c1cc(-c2ccc(C)c(C)c2)nc2ccccc12)c1ccc(C(C)C)cc1 252626114 QWWRJVFHVPGQED-UHFFFAOYSA-N 436.555 7.223 30 10 IKEE O=C1/C(=C\c2ccc(Br)cc2)SC(=Nc2ccccc2)N1c1ccccc1 252642743 ZPDZJAANZQTWKI-HJFHBGSISA-N 435.346 6.258 30 10 IKEE N#Cc1c(C(F)(F)F)cc(-c2ccccc2)n(N=Cc2c(O)ccc3ccccc23)c1=O 254706349 QKELUFKMTJNIIP-UHFFFAOYSA-N 433.389 5.147 30 10 IKEE O=C1/C(=C\c2cccc(F)c2)SC(=Nc2cccc3ccccc23)N1C[C@H]1CCCO1 263629030 PUHJTEZAQSLHBG-AFSGXICFSA-N 432.520 5.762 30 10 IKEE Cc1ccc([C@H]2C(c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526514477 CBIJZNZAEGBLOF-SANMLTNESA-N 438.527 5.959 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2sccc2C)cc1 526515692 LDQCNSKLBPCMBI-JOCHJYFZSA-N 430.529 5.774 30 10 IKEE CCOc1ccc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2ccccc2C#N)cc1OC 526607462 WJOUGOSTIJRJPA-JOCHJYFZSA-N 432.501 5.084 30 10 IKEE Cc1ccc(NC2=C(Sc3ccccc3)C(=O)N(c3ccccc3C#N)C2=O)cc1Cl 526636818 HVWUCDABJBKTJC-UHFFFAOYSA-N 445.931 5.509 30 10 IKEE Cc1ccc(SC2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(C)cc3C)C2=O)cc1 526663406 XEKCYODTPVYDFI-UHFFFAOYSA-N 439.540 5.473 30 10 IKEE Oc1ccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccccc2)cc1Cl 526800133 NXWUSAJLTXPNFC-QQXSKIMKSA-N 448.979 5.597 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1ccc(OC)c(O)c1Cl 526808135 OOVUXQHAACZXGL-FMCGGJTJSA-N 430.961 5.081 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1cccc(OCCC)c1 526811190 DOQRKHFGFSHSSA-ONUIUJJFSA-N 436.625 6.201 30 10 IKEE CC(C)(C)c1ccc(S(=O)(=O)N(CCCC#N)c2ccc(N3CCCC3)cc2)cc1 586252086 RLBYADVZVMHWEM-UHFFFAOYSA-N 425.598 5.083 30 10 IKEE C=CCN(CC=C)C(=O)c1cccc(NC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 586715014 SFJWVZKPNRFAPA-UHFFFAOYSA-N 437.849 5.817 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)c(F)c1F)NCCC 701318245 KNIACCHTBXSYQR-HZPDHXFCSA-N 447.364 5.107 30 10 IKEE COc1cc(OC)c(C=Nc2ccc(Br)c(Cl)c2)cc1Br 1084556182 BZAPYUXPJIOLFN-UHFFFAOYSA-N 433.527 5.633 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=Nc1ccc(C)cc1 1772724632 IIJNHWJSIVJACK-IBORXNHRSA-N 445.500 5.953 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=Nc1ccc(C)cc1 1772724633 IIJNHWJSIVJACK-LAJNNLEESA-N 445.500 5.953 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)SC1=Nc1cccnc1 1772732476 XIEYNJXLJJFSHQ-VYYDMKJGSA-N 441.556 5.759 30 10 IKEE COc1cccc(/C=C2\SC(=Nc3ccncc3Cl)N(C3CCCCC3)C2=O)c1 1772739282 ZPIRBWWGAZMBNH-MJBUPYINSA-N 427.957 5.680 30 10 IKEE CCCCOc1ccc(/C=C2/SC(=Nc3ccc(C)cc3O)N(C)C2=O)cc1OC 1772763455 DFOBXZMBFCASAB-FUSVKQJLSA-N 426.538 5.122 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccc2OCCCOc2ccccc2)c1 1858744116 JKYUFJHIKZAFRS-UHFFFAOYSA-N 445.563 6.019 30 10 IKEE Cc1ccc(-c2cc(C(=O)Nc3ccccc3C#N)nn2Cc2ccc(Cl)cc2)cc1C 1859395292 QDOMTRUYKKRRIP-UHFFFAOYSA-N 440.934 5.993 30 10 IKEE CCOC(=O)c1sc(NC(=O)c2ccc3oc(-c4ccccc4F)nc3c2)c(C#N)c1C 1859736210 QMZMSGZQRVSBKN-UHFFFAOYSA-N 449.463 5.305 30 10 IKEE CC(C)(C)c1nc2ccc(C(=O)Nc3ccc(C(=O)Nc4ccccc4C#N)cc3)cc2[nH]1 1860838505 XHPSSSZBDAZQEP-UHFFFAOYSA-N 437.503 5.237 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)COc1c(C)ccc(C)c1C 1861664081 CXMJDZRPRHREFK-AREMUKBSSA-N 432.649 5.532 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccccc1[N+](=O)[O-] 1862383760 MKVWBBHFOFEKGM-GOSISDBHSA-N 449.290 5.280 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccccc1C 1862411637 MCJAZXPXMNATQG-QHCPKHFHSA-N 449.453 5.060 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@@H]1c1cccc(F)c1)c1ccccc1Cl 1862430157 DFLUABUXKFGMBM-OAQYLSRUSA-N 439.845 5.397 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccco2)c1 1862433685 IWYHJROAJORVMP-OAQYLSRUSA-N 437.879 5.110 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862486772 LBIGWZJCADBIOW-RUZDIDTESA-N 429.560 6.081 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(F)cc1 1862490224 QICVRRREFROBQS-XUZZJYLKSA-N 437.555 6.380 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCCCC2)c1 1862493390 OMJBKGFQCIIVHX-RUZDIDTESA-N 447.575 6.003 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2ccccc2)cc1 1862515114 PIULSWOLGQWDJX-RUZDIDTESA-N 441.527 5.562 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccccc1Cl 1862526818 KIMYPQHZOBGEQI-GOSISDBHSA-N 448.744 5.481 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(N(CC)CC)cc1 1862537731 BXHVSEQBBHNUSV-XMMPIXPASA-N 434.580 5.474 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCCCCO)cc1 1862614386 AGUGCTOWYBECDW-XMMPIXPASA-N 449.591 5.287 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CC)cc1 1862657819 JYQUQJVVLQJRPU-XMMPIXPASA-N 429.516 5.617 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1c(F)cccc1Cl)c1ccc(F)cc1 1862678110 OFUMQNLNBSSDPQ-IBGZPJMESA-N 445.874 5.458 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(OCCCC)cc2)=C(c2ccc(OCCC)cc2)C1=O 1863347674 KPBUCWLJSYAFLH-UHFFFAOYSA-N 434.536 5.032 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cc(F)ccc2F)=C(c2cccs2)C1=O 1863480035 OPKWKSAOUHQSQO-UHFFFAOYSA-N 446.563 6.359 30 10 IKEE CC[C@@](C)(NC(=O)C[C@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1ccc(C#N)cc1 1866783781 RTBMGVWKODEECG-SHQCIBLASA-N 443.522 5.143 30 10 IKEE C[C@@H]1c2[nH]cnc2CCN1c1cc(Nc2cccc(C#N)c2)nc(-c2ccc(Cl)cc2)n1 1868424092 OCHGRAKHIQDRQV-OAHLLOKOSA-N 441.926 5.259 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)Oc2ccc(CC)cc2)c(=O)cc1C 1870092659 MRGAPGCMDYAHEA-UHFFFAOYSA-N 427.585 5.844 30 10 IKEE CC(C)c1ccccc1-n1nnc(C#N)c1NC(=O)/C(=C\c1ccccc1)c1ccccc1 1870142191 FUNPWGAJIABIIK-QJOMJCCJSA-N 433.515 5.442 30 10 IKEE C=CCn1cc(OCCCOc2ccc(Cl)cc2)c(=O)cc1CSc1ccccn1 1870221102 JHBRASADDCDJDA-UHFFFAOYSA-N 442.968 5.223 30 10 IKEE C=CCn1cc(OCc2c(C)cc(C)cc2C)c(=O)cc1CNc1cc(Cl)ccc1C 1870802999 UQSJXLPUVIJSHI-UHFFFAOYSA-N 436.983 6.112 30 10 IKEE Cc1cc(OC(=O)/C=C/c2ccc(F)cc2)cc2c1C(=O)/C(=C/C=C/c1ccccc1)O2 1871366142 UKVKIRBRFIAUBL-RAQOLIENSA-N 426.443 5.925 30 10 IKEE O=C(Cc1ccc(Cl)c(Cl)c1)Oc1ccc2c(c1)O/C(=C\c1cccnc1)C2=O 1871377104 VDRFUBOAJCZTND-UKWGHVSLSA-N 426.255 5.153 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OC(=O)/C=C/c3ccc(C(C)C)cc3)ccc2C1=O 1871380581 WAUHIUCQSHMRJN-QPFJXIFFSA-N 440.495 6.054 30 10 IKEE Cc1c(OC(=O)c2cccc(OCC(C)C)c2)ccc2c1O/C(=C\c1ccc(F)cc1)C2=O 1871380761 ADXAAVOYDIAFSX-CFRMEGHHSA-N 446.474 6.004 30 10 IKEE Cc1cccc(OCCCCOc2ccc3c(c2C)O/C(=C\c2ccccc2F)C3=O)c1 1871403089 DYQBQZMSABZLST-UQQQWYQISA-N 432.491 6.297 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCCOc4ccc(C)cc4)cc(C)c3C2=O)cc1 1871406636 SMKYSVBQHTWMHG-XYGWBWBKSA-N 430.500 5.776 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)c1 1871412609 WSWGAGMNEOYBML-QODTYRDMSA-N 439.511 5.882 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OCCc4ccc(OC)cc4)ccc3C2=O)c2ccccc21 1871448462 QOGSCZXWMRHFIJ-YUMHPJSZSA-N 439.511 5.908 30 10 IKEE Cc1c(OCCN2CCCCC2)ccc2c1O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 1871451275 MPQSWMUVDNOMEZ-OOAXWGSJSA-N 439.555 6.143 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2cccs2)C3=O)cc1Cl 1871456635 OKMQFOHQWPZHAZ-JAIQZWGSSA-N 439.920 5.652 30 10 IKEE C=CCN(CC=C)c1nc(=NCc2ccccc2Cl)nc(Nc2ccc(C(C)C)cc2)[nH]1 1871504806 YHXBTZUPFKCHOO-UHFFFAOYSA-N 449.002 5.604 30 10 IKEE CCOC(=O)Oc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(OCC)cc3)cs2)cc1 1872768572 WVVXTZSBRULXKY-IBGZPJMESA-N 436.489 5.234 30 10 IKEE Cc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(F)c(C)c3)cs2)c(C(C)(C)C)c1 1872773138 XAZXDYPVBRGOIE-SFHVURJKSA-N 436.552 6.119 30 10 IKEE Cc1cc(C)c(-c2csc([C@@H](C#N)C(=O)/C(=C\c3ccccc3)c3ccccc3)n2)c(C)c1 1872786033 CEWQUSOLROFOSV-NHOMFQCRSA-N 448.591 7.152 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@@H](C)c2ccccc2)=C(c2ccccc2C)C1=O 1873103790 RZLHGSXUTXOGMS-QHCPKHFHSA-N 446.635 6.566 30 10 IKEE C=CCN(CC=C)c1nc(Nc2cccc(Cl)c2C)c2cnn(-c3ccccc3)c2n1 1873481546 CZVDHDSMLCKNPG-UHFFFAOYSA-N 430.943 5.699 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C(F)(F)F)c2)cc2c(NCc3ccco3)ncnc21 1873623922 YSGNLIGKZNOPEI-UHFFFAOYSA-N 441.413 5.094 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)c(F)c2)cc2c(NCc3ccccc3F)ncnc21 1873637114 OFEKVHBZQOPANF-UHFFFAOYSA-N 433.462 5.068 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(CC)cc1)n2Cc1ccco1 1873661797 DJBXCRXGRXUWQZ-UHFFFAOYSA-N 441.535 5.066 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1sccc1C 1874207778 VAWZJCNMRHPLKZ-SRZZPIQSSA-N 447.427 5.552 30 10 IKEE CCCc1ccc(OCc2nnc(SCC)n2/N=C/c2ccc(Cl)cc2Cl)cc1 1874257722 POOBDYBPTJLHSS-ZMOGYAJESA-N 449.407 6.111 30 10 IKEE CCCOc1cccc(/C=N/n2c(COc3ccc(CCC)cc3)nnc2SCC)c1 1874257772 RXMWWYUBUOSNDJ-KOEQRZSOSA-N 438.597 5.593 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3C)n2/N=C/c2cccn2C)c1 1874362432 FBZALOHUOKARSA-WPWMEQJKSA-N 443.620 5.502 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1cccc(Br)c1 1874389612 VSKGTEARSKWUEG-YDZHTSKRSA-N 441.398 5.490 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(Cc3ccccc3)nnc2SCCc2ccccc2)c1 1874418348 LFZIDJPVSJAXBO-NLRVBDNBSA-N 428.561 5.100 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc(F)c2)n1/N=C/c1cc(Cl)ccc1O 1874437634 LQTVBQREAWLSAA-WYMPLXKRSA-N 432.952 5.539 30 10 IKEE CCSc1nnc([C@H]2CCCO2)n1/N=C/c1ccc(N(CC)Cc2ccccc2)cc1 1874445012 QLNRKEUPJXDVSF-YALBQKEFSA-N 435.597 5.150 30 10 IKEE Fc1cccc(CSc2nnc(C3CCCC3)n2/N=C/c2c(Cl)cccc2Cl)c1 1874455031 XQMQXAFEIYENJA-BRJLIKDPSA-N 449.382 6.556 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1cc(Cl)ccc1O 1874478436 AAXYNZGFBDNLCI-FSJBWODESA-N 435.380 5.808 30 10 IKEE C=CCSc1nnc(C2CCC2)n1/N=C/c1ccc(OCc2ccccc2)c(OC)c1 1874497141 WZDPKLNXBJZLOP-PCLIKHOPSA-N 434.565 5.294 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(OC)c(O)c1 1874508718 RPADHHCNYWXXMA-MFKUBSTISA-N 432.549 5.273 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(S)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1874561182 HIVOCUREAWXHBP-AEIQVQRHSA-N 448.979 5.833 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(S)nnc1CCCOc1ccc2ccccc2c1 1874569202 MAZRKBJAMWTHMG-YZSQISJMSA-N 446.576 5.401 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Br)ccc2OCc2ccc(C)cc2)c1 1874572679 ZSLMXNJLBKNAPR-ZRDIBKRKSA-N 437.333 6.241 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2)c(Br)c1)c1ccc2c(c1)CCCC2 1874603782 FGQGHFXNPKATLC-GXDHUFHOSA-N 447.372 6.803 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OCC(=O)N[C@H](C)c1ccccc1 1874620338 URIBXULVJFBHTI-XWGMLZDCSA-N 447.506 5.295 30 10 IKEE CCCOc1ccc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc1Br 1874627453 UFRPCDGAOJDAAW-VQHVLOKHSA-N 431.370 6.574 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3C)c(Cl)c2)cc1C 1874631612 LKAKGBFVRAPQKQ-FMIVXFBMSA-N 433.935 6.179 30 10 IKEE CCCc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3cc(C)ccc3OC)c2)cc1 1874704534 UDYZDODKCAXJNB-NTCAYCPXSA-N 444.527 5.837 30 10 IKEE CCc1ccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)c2)cc1 1874706154 RZCZBYVJMLBPBU-JLHYYAGUSA-N 442.511 5.455 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1OC(=O)CC1CCCCC1 1874716542 XNZXDTYPHWNQJJ-NTCAYCPXSA-N 448.603 7.073 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)Cc1ccc(C)c(C)c1 1875094633 BMNPMTAOVIQOOE-PKNBQFBNSA-N 445.471 5.264 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1 1875097095 VMLIDALAKBHZBO-SFQUDFHCSA-N 442.511 5.698 30 10 IKEE Cc1cc(OCC(=O)Oc2ccc(/C=C/C(=O)c3cccc(Cl)c3)cc2)ccc1Cl 1875123138 CEWDGWMOPQFPPL-KPKJPENVSA-N 441.310 6.182 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2[N+](=O)[O-])cc1 1875127231 UJBLXUFZAXLGNM-OQLLNIDSSA-N 429.472 6.008 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OC(=O)C1CCCC1 1875168440 CEECQWMIHQZDAA-VAWYXSNFSA-N 436.548 5.929 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OC(=O)CC(C)C 1875170227 NDNYZGZJJMKESU-VAWYXSNFSA-N 434.576 6.505 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)CSc1ccccc1 1875178782 BVZBQUDGYDXKST-JLHYYAGUSA-N 432.541 5.906 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@@](C)(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)cc1 1912172413 DTQCQLIKHPJEFK-JOCHJYFZSA-N 444.536 5.710 30 10 IKEE CC1(C)CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)[C@H](CNC(=O)OC(C)(C)C)C1 1927163757 BYRATJIPXPYNMM-BVZFJXPGSA-N 449.636 5.779 30 10 IKEE C=C(C)CC[C@H](NCCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997457443 XENHUPPADXFNNN-JYFHCDHNSA-N 430.633 5.555 30 10 IKEE CC[C@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 2014644548 IGXLCGYATHNUGE-WZONZLPQSA-N 449.979 5.763 30 10 IKEE CC(C)N[C@]1(C#N)C[C@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)CC[C@H]1C 2055585052 NYQKEAZDODMEFJ-RTVRTQBESA-N 432.656 5.070 30 10 IKEE Fc1ccc(C(F)(F)F)cc1Cn1nc(Br)c(Cl)c1C(F)(F)F 2079143796 MNVZPTJMTJQITR-UHFFFAOYSA-N 425.529 5.524 30 10 IKEE C[C@@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)(F)F)c(C=NO)c1Br 2079972053 PNYPDYSKMWMCIB-LURJTMIESA-N 448.136 5.240 30 10 IKEE CCOc1ccc([C@@H](C(C)C)n2nc(C3CCC3)c(C#N)c2I)cc1 2080101358 FDHOPUBTUOGQSH-LJQANCHMSA-N 449.336 5.271 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(C)sc(C)c1Br 2087631054 DEIXJYBWCNQWEE-MAUKXSAKSA-N 445.467 6.028 30 10 IKEE C(#Cc1ccccc1)CNCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134724863 BWGRNXCCOIQJDE-UHFFFAOYSA-N 433.551 5.986 30 10 IKEE CCCCCC#CC[C@H](NC)c1cc(Br)ccc1I 2139010062 ZEXCIJKNNYGZDQ-INIZCTEOSA-N 434.159 5.288 30 10 IKEE Cc1ccc(C[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)cc1 2159877426 AYQSUPYLYGXBDG-QFIPXVFZSA-N 429.358 6.024 30 10 IKEE C=CCC1(NCc2c(F)cc(Br)cc2F)CCN(C(=O)OC(C)(C)C)CC1 2170704721 BWBRLNYZJXUQHW-UHFFFAOYSA-N 445.348 5.163 30 10 IKEE C#CCC1(NC(=O)c2cc(NC(=O)OC(C)(C)C)c(C)cc2Br)CCCC1 2180075056 WFHCJMBRAJBXNA-UHFFFAOYSA-N 435.362 5.170 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2cc(Br)c(C#N)cc2F)[C@@H]1C(C)(C)C 2192489407 WMPMPIWUVCNCIV-NVXWUHKLSA-N 440.357 5.296 30 10 IKEE CCN[C@@H](C#CP(C)(C)=O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2218399725 FJPUSUQEIPWKAB-HNNXBMFYSA-N 429.295 5.030 30 10 IKEE CCCN[C@@H](C#Cc1ccc(C)cc1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2223318427 FHFBYJPPFVARMX-AREMUKBSSA-N 434.624 5.932 30 10 IKEE CCN[C@@H](C#Cc1cccc(Cl)c1)c1cc(Br)c(Br)s1 2239560838 GDGPOMKIQLNKBO-ZDUSSCGKSA-N 433.596 5.629 30 10 IKEE Cc1cnc(Nc2cc(Cl)c(Br)cc2C)c(B2OC(C)(C)C(C)(C)O2)c1 2241078122 CCLTWFWRLPDWID-UHFFFAOYSA-N 437.574 5.157 30 10 IKEE CC(C)(C)CN(Cc1ccccc1)C(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2255527133 GHMMDBULAKRIOV-UHFFFAOYSA-N 441.808 5.328 30 10 IKEE CC1(C)OB(c2ccc(Cl)cc2C(=O)N(Cc2ccccc2)C2CCCC2)OC1(C)C 2255544822 GECLAJHCMAYLAB-UHFFFAOYSA-N 439.792 5.224 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1cc(F)c(Br)cc1Cl 2256017247 QBWFFJHFDGLZNK-FQEVSTJZSA-N 426.757 6.055 30 10 IKEE C=CCC1([C@@H](NC)c2cc(Br)cc(C(C)C)c2)CN(C(=O)OC(C)(C)C)C1 2280707391 YHHZGDNMUMUCGE-IBGZPJMESA-N 437.422 5.646 30 10 IKEE Cc1cc(C(=O)N(Cc2ccccc2)C2CCCCC2)cc(C)c1B1OC(C)(C)C(C)(C)O1 2282663505 QODBAQDQAPMVDU-UHFFFAOYSA-N 447.428 5.578 30 10 IKEE Cc1ccc(N=C2NC(=O)C(=Cc3ccc(OCc4cccc(C(=O)O)c4)cc3)S2)cc1 2294025416 VSWBBTXZCYJFAC-UHFFFAOYSA-N 444.512 5.164 30 10 IKEE COc1ccc(OC)c(C=CC(=O)c2c(O)nc3ccc(C)cc3c2-c2ccccc2)c1 2296777142 NPPBTXBNPQRUIG-UHFFFAOYSA-N 425.484 5.829 30 10 IKEE O=C1C(=Cc2cc(Cl)cc(Cl)c2O)SC(=Nc2ccccc2)N1c1ccccc1 2296971891 RNTWUJDCCSQWMC-UHFFFAOYSA-N 441.339 6.508 30 10 IKEE CCCCCCCCCCOc1ccc(C2=NC(=CC(C)=Cc3ccccc3)C(=O)O2)cc1 2297297461 HAAJZFNWQFPTJC-UHFFFAOYSA-N 445.603 7.497 30 10 IKEE C[C@H]1CC[C@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC(=O)C5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@H]2C 2297707614 BHUDKWOFZIXCDR-HHNPWKLDSA-N 426.597 5.101 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C(F)(F)C1 2301059217 AXDQTEIXNCBQAB-OAQYLSRUSA-N 443.535 5.095 30 10 IKEE N#Cc1cn(C(=O)C=Cc2ccc(-c3ccc(Br)cc3F)o2)c2ccccc12 2314013648 BPARZODUMNYZKB-UHFFFAOYSA-N 435.252 6.028 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O)c1ccc(Cl)cc1 2314437344 KBGBVQIBMNJHEW-UHFFFAOYSA-N 435.819 5.126 30 10 IKEE Cc1cccc(C)c1NC(=O)CSc1nnc(C)n1N=Cc1ccc(Cl)c(Cl)c1 2321143038 MPDDQNRHLPSKQN-UHFFFAOYSA-N 448.379 5.123 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1COc2ccc3c(c2C1)OC(=Cc1ccc(C(C)(C)C)cc1)C3=O 2322146000 LDNILUZAYKPXGV-JPYJTQIMSA-N 431.576 6.331 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccccc1Cl)C3=O)CN(CCCOC(C)C)CO2 2322333402 UJHPBDHFAWZIOB-UHFFFAOYSA-N 427.928 5.232 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(Cl)cc1)C3=O)CN(C1CCCCCCC1)CO2 2322415259 WXFBZXPDQBTRCK-UHFFFAOYSA-N 437.967 6.529 30 10 IKEE COc1cccc(C=CC(=O)c2cccc(Cl)c2)c1OCC(=O)N[C@H](C)c1ccccc1 2322527983 JXNPTRJDVJGBGK-GOSISDBHSA-N 449.934 5.501 30 10 IKEE Cc1c(OC(=O)COc2ccc(Cl)cc2Cl)ccc2c1OC(=Cc1ccco1)C2=O 2323088052 XALHASSMVZJPPS-UHFFFAOYSA-N 445.254 5.495 30 10 IKEE CC(C)c1ccc(C=C2Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc3C2=O)cc1 2323153188 HXHWFWGIFMAVCP-UHFFFAOYSA-N 429.428 5.554 30 10 IKEE Cc1ccccc1NC(=O)COc1cccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)c1 2323303580 BWMSQNHLQBKKMU-UHFFFAOYSA-N 441.571 6.515 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3cc(C)ccc3C)c(Cl)c2)cc1OC 2323441405 MOFZSCLJBQUACZ-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE CCOc1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(C)cc2)C3=O)cc1 2323512208 OXKUHHOZTSAHOS-UHFFFAOYSA-N 440.495 5.937 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)ccc1OCC(=O)N[C@H](C)c1ccccc1 2323627020 SPIQZFWZICDGBY-GOSISDBHSA-N 449.934 5.501 30 10 IKEE CCCOc1c(C=NNc2nc(-c3ccc(OC)cc3OC)cs2)cccc1OC 2323865806 FHBWKPLVKRCJSM-UHFFFAOYSA-N 427.526 5.071 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1 2323889801 MMZVGFOYNLSGII-UHFFFAOYSA-N 427.327 6.867 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cccc(C)c3)c([N+](=O)[O-])c2)cc1 2323900822 YHTIPKCYXKXHBQ-UHFFFAOYSA-N 430.460 5.125 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 2324059212 GOZFLCXYVRRYDR-UHFFFAOYSA-N 439.382 7.766 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OCc2cccc3ccccc23)cc1 2324693655 ZPPZQUMCBSMGCO-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCCOc4cccc5ccccc45)c3C)C2=O)cc1 2324693951 HKVLCXQHPUKEBR-UHFFFAOYSA-N 436.507 6.531 30 10 IKEE CCOc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 2324837674 SSNQEAPLNCLCLO-GOSISDBHSA-N 443.355 6.405 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccccc1Cl 2325603829 SLHVFUKRONPTTO-UHFFFAOYSA-N 425.772 5.975 30 10 IKEE CCCCCOc1ccc(C=Nn2cnnc2SCc2cccc3ccccc23)cc1 2325666269 BVJNIDTURAFRJH-UHFFFAOYSA-N 430.577 6.175 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2cccc(Cl)c2)c1)c1ccc(-c2ccccc2)cc1 2325669630 RLIYNBJGNRFVCI-UHFFFAOYSA-N 438.910 7.122 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(F)cc3F)c2)c(OC)c1 2325725909 OILLTBRIKMJLJA-UHFFFAOYSA-N 438.426 5.026 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)C34CC5CC(CC(C5)C3)C4)c2)cc1 2325739567 ZFHPBISBBKXVEY-UHFFFAOYSA-N 444.571 6.493 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cccc(OC(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)c2)c1 2325740638 RXVMSTPZKSNTBI-UHFFFAOYSA-N 444.487 5.393 30 10 IKEE CCCSc1nnc(CCc2ccc(OCC)c(OC)c2)n1N=Cc1cccc(C)c1 2325893774 FRLCAYFDLJEWSO-UHFFFAOYSA-N 438.597 5.163 30 10 IKEE CCCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1cccc(Cl)c1 2326026146 KYRIURWQGFVQEX-UHFFFAOYSA-N 449.407 5.981 30 10 IKEE CCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1c[nH]c2ccccc12 2326060641 MUSLFCWBFSTIFB-UHFFFAOYSA-N 439.972 5.419 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1cccc(OC(C)C)c1 2326514817 JQKJZVPZKWBUEQ-UHFFFAOYSA-N 449.407 6.109 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(OC)c(OCC)c1 2326546668 XHAYBCRBTQCKFV-UHFFFAOYSA-N 444.988 5.466 30 10 IKEE CCCCCCCOc1ccccc1C=Nn1cnnc1SCc1cccc(F)c1 2326725805 GMZRHWXOSCELPS-UHFFFAOYSA-N 426.561 5.941 30 10 IKEE CSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(Cl)cc1Cl 2327702789 YXXYFPOIZTZUPN-UHFFFAOYSA-N 427.360 5.933 30 10 IKEE CCOc1ccc(Cc2nnc(SCC)n2N=Cc2cccc(Br)c2)cc1 2328566029 HBBHYKFXKXVQAY-UHFFFAOYSA-N 445.386 5.024 30 10 IKEE COc1cc(C=NNc2ccnc(Cl)n2)ccc1OCc1ccc(Cl)cc1Cl 2328801645 XDEXBWNKAFNSGD-UHFFFAOYSA-N 437.714 5.470 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2)n1N=Cc1c(Cl)cccc1Cl 2329918652 ZPZRWYOEEQUUEL-UHFFFAOYSA-N 433.364 5.714 30 10 IKEE Cc1ccccc1CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1cccc(F)c1 2330057390 QALBVYYGUMUGEP-IBGZPJMESA-N 430.552 6.052 30 10 IKEE Cc1ccc(O)c(C=Nn2c(Cc3ccccc3)nnc2SCCc2ccccc2)c1 2330497484 LFZIDJPVSJAXBO-UHFFFAOYSA-N 428.561 5.100 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)c(C)c3)cc2)cc1OC 2330707437 UAAMUMHGYFQQBO-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(CC(C)(C)C)n1N=Cc1cccc(C)c1 2330810562 SANNFFQYRJYOHG-UHFFFAOYSA-N 449.624 5.351 30 10 IKEE Cc1ccc(C=Nn2c(SCC(=O)Nc3ccc(C)cc3)nnc2C2CCCC2)cc1 2331046574 VKHUDNUOBCDUGD-UHFFFAOYSA-N 433.581 5.166 30 10 IKEE O=C(CC12CC3CC(CC(C3)C1)C2)Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1 2331084357 HGBMGPRYYKYTNO-UHFFFAOYSA-N 436.498 6.373 30 10 IKEE Cc1ccc(C=Nn2c(SCC(=O)Nc3cc(C)ccc3C)nnc2-c2ccco2)cc1 2331170212 GGQKBLMKQPMDNV-UHFFFAOYSA-N 445.548 5.076 30 10 IKEE CC(C)(C)c1nnc(SCc2ccccc2Cl)n1N=Cc1cc(Cl)ccc1O 2331398368 MTKUEITWDBSTRU-UHFFFAOYSA-N 435.380 5.763 30 10 IKEE O=C(Cc1ccccc1[N+](=O)[O-])Oc1ccc(C=CC(=O)c2ccc(F)cc2)cc1Cl 2331520983 VZYQFZLPAYENRC-UHFFFAOYSA-N 439.826 5.432 30 10 IKEE Oc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CCC2)c(O)c1 2331535404 XQTFTSOUMYPBHM-UHFFFAOYSA-N 430.533 5.285 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)CC(C)(C)C 2331571130 RZBUBXDDEZYHAH-UHFFFAOYSA-N 428.475 5.940 30 10 IKEE COCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(Cl)cc1 2331592280 OPQNQFRXTUSOFF-UHFFFAOYSA-N 441.771 5.559 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)C2CCC2)c(Br)c1 2331665023 ZSLXGZOBXPDODZ-UHFFFAOYSA-N 443.337 5.676 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)CSc3ccccc3)c(Cl)c2)cc1C 2331706157 CPAGHVAJTLPFDQ-UHFFFAOYSA-N 436.960 6.551 30 10 IKEE CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)ON1C(=O)CCC1=O 2333246301 AWUMFVFMQMCKHT-UHFFFAOYSA-N 425.569 6.072 30 10 IKEE C=CCCCCCC[C@H](NCCC)c1sc(Cl)cc1I 2366653821 QHBYEDWOTVGXQB-AWEZNQCLSA-N 425.807 6.573 30 10 IKEE Cc1cc(Br)c(OCc2cccc(C#N)c2F)cc1NC(=O)OC(C)(C)C 2370448253 GAYBYOPFXHHHHF-UHFFFAOYSA-N 435.293 5.694 30 10 IKEE CCCCOC(=O)c1cc(-c2ccc(/C=C3/Sc4ccccc4C3=O)o2)ccc1Cl 6480704 HVYOIKYEKSBWKE-HYARGMPZSA-N 438.932 6.886 30 10 IKEE COc1ccc(/N=C2\SCCN2Cc2cccc(OCc3ccccc3Cl)c2)cc1 13145730 FXEMJXUELOQVAQ-LCUIJRPUSA-N 438.980 6.164 30 10 IKEE C[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@H]2c1cc(F)cc(F)c1 19640479 SCZUUAROYDBCHV-DXPJPUQTSA-N 444.481 6.032 30 10 IKEE CC(C)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc1 21245689 CDYNFAGUWGHIAT-MMTVBGGISA-N 442.990 7.443 30 10 IKEE CCOc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)c1 21248815 YHFYPGGOLGIMMV-PPHZAIPVSA-N 428.507 6.204 30 10 IKEE Cc1cc(Cl)ccc1N/C(=N\C(=O)c1ccccc1C)NCCc1c[nH]c2ccccc12 32943106 AWFGYWKOEHUODR-UHFFFAOYSA-N 444.966 5.879 30 10 IKEE CN1C/C(=C/c2c(Cl)cccc2Cl)C(=O)/C(=C/c2c(Cl)cccc2Cl)C1 33728054 AXNTZYSTRSDTCJ-QRBCZBMESA-N 427.158 6.282 30 10 IKEE N#CC1(C#N)[C@H](c2ccc(F)cc2)[C@H](C(=O)c2ccc(F)cc2)N2C=Cc3ccccc3[C@H]21 35895386 AYNMENWBYFWJAX-MZKUHISZSA-N 437.449 5.375 30 10 IKEE O=C1/C(=N/N(Cc2ccccc2)c2ccccc2)c2ccccc2N1Cc1ccccc1F 59153118 XFWHUWDUUQCORU-KDJFERLWSA-N 435.502 5.783 30 10 IKEE COC(=O)c1ccc(COc2ccccc2/C=C2/CCc3cc(OC)ccc3C2=O)cc1 96792352 ADHNONUXLDJNOE-JCMHNJIXSA-N 428.484 5.273 30 10 IKEE O=C(/C=C\c1ccc2c(c1)OCCO2)c1cc(Cl)cc(Cl)c1OCc1ccccc1 97371487 KBRDSYJNSDGBBE-VURMDHGXSA-N 441.310 6.240 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1ccc(NC(=O)CCC)cc1 100444165 CSOGIELDZFBKQT-UHFFFAOYSA-N 447.689 6.939 30 10 IKEE CCCCCCCCCCn1c([C@@H](C)NC(=O)/C=C\c2ccccc2)nc2ccccc21 102124381 BKVDIIFTJLSEMZ-BDIWWCJBSA-N 431.624 7.068 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1cccs1)c1cccc([N+](=O)[O-])c1 169985404 PJOZURMVLWIYFV-GOSISDBHSA-N 440.864 5.093 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccccn2)s1 169992043 BWWBDAXELXIESB-HXUWFJFHSA-N 433.533 5.061 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2cccc(O)c2)cc1C 170079806 WIPHRGHLXSIKBN-QFIPXVFZSA-N 435.426 5.070 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccc(C)o2)cc1 170102815 KCNRXEPDEWUCHF-HSZRJFAPSA-N 433.479 5.111 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2c2cccc(C)c2)c1 170141058 AFVKPYJOFGAGIF-RUZDIDTESA-N 439.511 5.411 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccc(C)c2)cc1OC 170142764 YEJXXZMSVFFYNY-XMMPIXPASA-N 443.499 5.104 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccs2)c1 170156726 DNCRFPLUCHJMSL-IVZQSRNASA-N 431.513 5.163 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2cccnc2)c1 170188776 VYLRPMVUSMNEQH-QFIPXVFZSA-N 448.906 5.307 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccncc1)c1ccc2c(c1)CCCC2 170204065 OZWYWGYTIFUFCY-HSZRJFAPSA-N 444.918 5.397 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2ccccc2)cc1 170224426 ZHXGZOAXRUSOLV-RUZDIDTESA-N 439.511 5.357 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccccc2)c1C 170225847 SYXNQASGCWZIOX-AREMUKBSSA-N 433.507 6.240 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1ccc(Cl)cc1 170236597 RYDKCWXONUHRIN-NRFANRHFSA-N 427.928 5.426 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1ccccc1F 170249744 AJADOMUTLPJXEU-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2)[C@H]1c1c[nH]c2ccccc12 170256103 IVILBNRSZUZIOJ-HSZRJFAPSA-N 432.520 5.335 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)c(Cl)c2)[C@@H]1c1ccccc1C 170277028 AQMDOXZEZHXOIX-SFHVURJKSA-N 434.319 5.299 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)c(C)c2)[C@H]1c1ccccc1C 170277503 JEMNVPGFOTXAKK-XMMPIXPASA-N 435.564 5.861 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccco1 170286541 UVQUYEKQSFAUJH-HXUWFJFHSA-N 437.879 5.341 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cccc(C)c2)ccc1OC 170336899 BMVVZMUEKGLMHK-JOCHJYFZSA-N 449.528 5.247 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1c1cc(Cl)cc(Cl)c1 170397809 GDBJRUDZFKHHCR-LJQANCHMSA-N 444.339 6.146 30 10 IKEE CCCCCCCCCCNC(=O)c1cc(Br)sc1Br 232938342 QTJMQURLIAEOLS-UHFFFAOYSA-N 425.230 6.144 30 10 IKEE CCCCCCCCCOc1ccc(N=Cc2ccc(O[C@@H]3COCC=C3C)cc2)cc1 254708794 XNUMMXZDRSMRNZ-MUUNZHRXSA-N 435.608 7.291 30 10 IKEE N#Cc1ccc(CNc2cc(Br)ccc2I)c(Cl)c1 311736293 PSZHDNZPHVEEQR-UHFFFAOYSA-N 447.501 5.191 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(O)cc2)c1 526517242 UNKRZBJJIYQSQO-DEOSSOPVSA-N 426.472 5.110 30 10 IKEE CCOc1cc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2ccccc2C#N)ccc1OC 526605649 DLAHYBMPKMCXMC-JOCHJYFZSA-N 432.501 5.084 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1/N=C\c1ccccc1OCC(C)C 526802911 NVVYFNCWCSRTNU-YSMPRRRNSA-N 440.588 5.969 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1/N=C\c1ccc(C(F)(F)F)cc1 526803481 VPESPNCEOGDQEL-ZMFRSBBQSA-N 436.478 5.953 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1ccc(C(C)C)cc1 526813717 HTLBDGXXWJIXAK-MXAYSNPKSA-N 447.435 6.835 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1cc(Cl)c(O)c(OC)c1 526825309 CBTVCLYOCOQAQA-MSXFZWOLSA-N 448.951 5.302 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2ccc(I)cc2)c1 698419710 PWKBTYVNBDQIGU-GOSISDBHSA-N 448.304 5.606 30 10 IKEE COc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)cc1Br 698853810 UQGXLVPCOISVCC-QGZVFWFLSA-N 435.293 5.603 30 10 IKEE COc1ccc(Br)cc1CC1(C#N)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 712807486 QSPOEAPULGVVPF-QRTHJKPMSA-N 435.362 5.072 30 10 IKEE Cc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)c(C)c1Br 719633853 OUGYVQMIKWLUPU-SFHVURJKSA-N 433.321 6.211 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C1 724076865 HXIIXCWPCZKKPD-QMHKHESXSA-N 433.524 5.154 30 10 IKEE O=C(Nc1ccccc1)c1c(N=Cc2cc(Cl)cc(Cl)c2O)sc2c1CCCC2 1084490363 IICMPNWGCQTDEI-UHFFFAOYSA-N 445.371 6.642 30 10 IKEE C=CCC[C@H](NC(=O)c1ccc(-n2c(C)cnc2O)cc1)c1ccc(C(F)(F)F)cc1 1623620885 VKVTYPZNPSSLSW-FQEVSTJZSA-N 429.442 5.342 30 10 IKEE C=CCC[C@H](NS(=O)(=O)c1ccc2nc(O)sc2c1)c1ccc(C(F)(F)F)cc1 1662981053 RCJHAUXRIDRNLB-HNNXBMFYSA-N 442.484 5.007 30 10 IKEE C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](OS(C)(=O)=O)CC[C@@]43C)[C@H]1CC=C2c1cccnc1 1690140242 LSAACYNNLMENON-OKQFDTRBSA-N 427.610 5.383 30 10 IKEE C=CCN(CC=C)c1cc(-c2cc3cnccc3c(NCCCN(CC)CC)n2)ccn1 1857833977 UCIYLJDHGNHNKM-UHFFFAOYSA-N 430.600 5.014 30 10 IKEE Cc1cc(C(=O)Nc2cccc3c(OC(=O)c4cccc(C#N)c4)cccc23)ccc1N(C)C 1858929101 SNHSGLXYPPESPS-UHFFFAOYSA-N 449.510 5.557 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)CCc1ccc(C)cc1)c1ccccc1 1861085980 WENLBHFNFUTXJF-MHZLTWQESA-N 436.640 6.042 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)Cc1ccc(Cl)cc1 1861133341 MCTXMEBQQYMHCI-QHCPKHFHSA-N 446.994 5.226 30 10 IKEE CCCCCCCCNC(=O)[C@H]1CCCN1C(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1 1861426569 HQODBOXCDUGMRH-XMMPIXPASA-N 446.595 5.311 30 10 IKEE O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CCCN(Cc2ccccc2F)C1 1861858168 GHXHJKDQQHZHRN-AWEZNQCLSA-N 448.382 5.714 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(OCCC)c(OCCC)c2)n(CC(C)C)n1 1862342599 CQSCNYOKSJIEGT-UHFFFAOYSA-N 439.600 5.598 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2cc(OC)ccc2OC)n(Cc2cc(C)ccc2C)n1 1862351305 LJSOZZFAHNZFKS-UHFFFAOYSA-N 445.563 5.047 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccc(C)cc2)cc1 1862389544 IEOSTFBXERWJPW-RUZDIDTESA-N 440.543 5.511 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@@H]1c1ccc(CC)cc1 1862391043 RIBOBQRBJFTESR-SANMLTNESA-N 447.619 6.750 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@H]1c1ccc(F)cc1F 1862394776 JTYCNLXWDPYXLS-HSZRJFAPSA-N 441.518 6.076 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc(N(C)C)cc2)cc1 1862395743 XGWPGWYJKTYDLB-XMMPIXPASA-N 434.580 5.330 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2c(Cl)cccc2Cl)cc1C 1862406678 VKKRCPBZFGNOPM-FQEVSTJZSA-N 448.346 5.545 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCc2cccs2)c1 1862441689 BVVNZNYDMJELKT-NRFANRHFSA-N 437.948 5.531 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccc(Cl)cc2)cc1 1862476671 MXAFTIIBYKMLBS-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862477537 MQDJMRHQTKLRFG-XMMPIXPASA-N 440.474 5.394 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(Br)cc1 1862496257 GMBYMAKFVZYLFQ-YWZLYKJASA-N 442.353 5.443 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1c(Cl)cccc1Cl 1862498390 HGHFMVNGEJWFGK-VLIAUNLRSA-N 432.347 5.987 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)ccc1F 1862504030 LANXKUIOHPPTII-RUZDIDTESA-N 443.518 6.036 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2cccc(F)c2)cc1 1862517600 QXOOOGJUBDNQDU-JOCHJYFZSA-N 425.500 5.239 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2ccccc2F)cc1 1862529854 KREKJOLEHHMZON-RUZDIDTESA-N 443.518 5.783 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1c(F)cccc1Cl 1862548814 AHACIMSNULVKBT-NRFANRHFSA-N 425.887 5.122 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CC(C)C)cc1 1862582080 WBGZLPOADBKBQV-IBGZPJMESA-N 434.319 5.236 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C2CC2)cc1 1862659243 ZZZPWBIRIDJTCB-VWLOTQADSA-N 440.543 5.427 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(C)cc1 1862660342 KUVFBHJVLSZACV-AREMUKBSSA-N 447.619 7.057 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cc(C)ccc2C)cc1 1862672330 ALWVNUXAOJNQGG-RUZDIDTESA-N 443.518 5.783 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2ccccc2F)c1 1862702512 FCPPWELLCWIQFC-DEOSSOPVSA-N 445.490 5.230 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1c(F)cccc1Cl 1862727756 LCZRDPQEDCQJOU-JOCHJYFZSA-N 435.882 5.744 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)=C(O)C(=O)N1CCC1=CCCCC1 1862736335 IECRBMUYZYLWHD-QHCPKHFHSA-N 446.503 5.372 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862737440 XEKIUKZNXCHCDJ-JOCHJYFZSA-N 434.492 5.204 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(Cl)cc3)C(=O)N(c3ccccc3C#N)C2=O)cc1C 1862885493 WLCBUVAMTSANFP-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C)c(C)c2)=C(c2ccc(F)cc2F)C1=O 1863308793 VZBHWRZMRLSPKN-UHFFFAOYSA-N 440.534 6.134 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(F)cc2)C(=O)N(Cc2ccccc2)C1=O 1863503944 DNIKIZLGHBUFEK-UHFFFAOYSA-N 436.571 5.836 30 10 IKEE CCCCCCCCNC1=C(c2ccc(OC)cc2)C(=O)N(Cc2cc(C)ccc2C)C1=O 1863670826 VNLKTDKWDSJCKR-UHFFFAOYSA-N 448.607 5.542 30 10 IKEE CCCCCCCCNC1=C(c2cccs2)C(=O)N(Cc2ccccc2Cl)C1=O 1863799553 ITIHSNALJJZUEJ-UHFFFAOYSA-N 431.001 5.632 30 10 IKEE CCc1nc(Nc2ccccc2C#N)cc(N2CCC(Cc3ccc([N+](=O)[O-])cc3)CC2)n1 1868286871 XYWWBWNNPYLUSJ-UHFFFAOYSA-N 442.523 5.022 30 10 IKEE C[C@H]1COC[C@@H](C)N1c1cc(Nc2cccc(C#N)c2)nc(-c2ccc(C(C)(C)C)cc2)n1 1868538288 NOZSHJLGWRPLMB-KDURUIRLSA-N 441.579 5.670 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3cc4ccccc4nc32)nc(-c2ccc(F)cc2)n1 1869261842 NELFLCRCMLBLCQ-UHFFFAOYSA-N 437.522 5.704 30 10 IKEE CCCCCCCCn1cc(OCC(C)C)c(=O)cc1CSc1ccc(Cl)cc1 1870259067 KABIFRWEQCBKED-UHFFFAOYSA-N 436.061 7.189 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)OC(C)C)c(=O)cc1CSCC 1870275356 SKCPKGQKDUKNBX-UHFFFAOYSA-N 425.635 5.573 30 10 IKEE CCCCCCCCn1cc(OCC(=O)NCCCC)c(=O)cc1CN(CCC)CCC 1870517560 MXCCRGPRLLCZFF-UHFFFAOYSA-N 449.680 5.126 30 10 IKEE CCCCCCCCn1cc(OCC(=O)N[C@@H](C)CC)c(=O)cc1CNc1ccccc1 1870963768 CBFCLBYOWVFTCG-NRFANRHFSA-N 441.616 5.114 30 10 IKEE C#CCOc1cn(CCC(C)C)c(CNc2ccc(OCc3ccccc3)cc2)cc1=O 1871006744 VBVDXCLASSWKMC-UHFFFAOYSA-N 430.548 5.098 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc4c3CN(C(c3ccccc3)c3ccccc3)CO4)C2=O)o1 1871351176 NZHIBHSMBXIFOK-QQXSKIMKSA-N 449.506 6.146 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1c(Cl)cccc1Cl)O3)CN(CCCCCO)CO2 1871351842 CTTQAGIIAFWMPL-JAIQZWGSSA-N 448.346 5.233 30 10 IKEE Cc1cc(OC(=O)Cc2cccc3ccccc23)cc2c1C(=O)/C(=C/C=C/c1ccccc1)O2 1871376604 SVGJTMMVJWKPJT-CKXZBRHHSA-N 446.502 6.469 30 10 IKEE Cc1cc(OC(=O)Cc2ccc(Cl)c(Cl)c2)cc2c1C(=O)/C(=C/c1cccnc1)O2 1871377009 PIDCAGYETFYFIR-UKWGHVSLSA-N 440.282 5.461 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCCCCOc4ccccc4C)cc(C)c3C2=O)c1 1871406221 XJWAGIULPVVVAF-ONUIUJJFSA-N 444.527 6.166 30 10 IKEE C[C@H](NC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O)c1ccccc1 1871424806 WWMYXYWIEPXBGL-YOBACFSGSA-N 433.891 5.212 30 10 IKEE CCCCCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O 1871427319 YLEROKDVNMDDLQ-NDENLUEZSA-N 445.309 5.178 30 10 IKEE Cc1cc(OCc2cccc3ccccc23)cc2c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O2 1871433371 BBXYXQYXWICKPM-QFEZKATASA-N 437.451 6.252 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Nc2ccccc2)cc1)[C@H](C)CC)S(=O)(=O)CC 1872157002 FHYNAWACFPJOGU-AUSIDOKSSA-N 443.613 5.011 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(Cl)cc1 1872513114 ITZSKAUMBQNUOV-JOCHJYFZSA-N 449.016 5.331 30 10 IKEE COc1ccc(-c2nc([C@@H](C#N)C(=O)CSc3ccc(C)cc3)sc2C)c(OC)c1 1872728365 YUJVBNYCXPSAES-IBGZPJMESA-N 438.574 5.413 30 10 IKEE COc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 1872764670 UKRSQCLUHQQDAM-QGZVFWFLSA-N 427.323 5.000 30 10 IKEE N#C[C@H](C(=O)COc1ccc(Cl)cc1Cl)c1nc(-c2ccccc2Cl)cs1 1872764839 ZLWANKNJQPCYFN-CYBMUJFWSA-N 437.735 6.026 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1C 1872765290 LRNWSJWUXBLFIU-CQSZACIVSA-N 427.869 5.179 30 10 IKEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(Cl)cc3Cl)n2)c(C)c1 1872768788 CDHGYYWWIROHCD-INIZCTEOSA-N 431.344 5.989 30 10 IKEE COc1ccc(C)cc1-c1csc([C@@H](C#N)C(=O)COc2ccc(Cl)c(C)c2)n1 1872770635 ALKOJYWYBJIBBX-KRWDZBQOSA-N 426.925 5.344 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1C 1872783063 QRLQXPCHRYPTET-STZQEDGTSA-N 443.572 5.213 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccc(Cl)cc3)n2)cc1Cl 1872785967 YBSOUSVXKXLYQF-LRDDRELGSA-N 447.343 5.769 30 10 IKEE COC(=O)c1nc(-c2ccc(C)cc2)oc1N/N=C/c1cccc(Oc2ccccc2)c1 1873462056 LVNUJJYJVQYSOL-WGOQTCKBSA-N 427.460 5.675 30 10 IKEE C=CCn1c(C(=O)NCCc2ccc(C)cc2)cc2c(N(CCCC)CCCC)ncnc21 1873593806 HYTSOKYEBXDPII-UHFFFAOYSA-N 447.627 5.305 30 10 IKEE Cn1cccc1/C=N/n1c(COc2ccccc2Cl)nnc1SCc1ccccc1 1874266846 RLOOJHGMFDHMQT-ZVHZXABRSA-N 437.956 5.024 30 10 IKEE C=CCSc1nnc(CCc2cccc(OC)c2)n1/N=C/c1c(Cl)cccc1Cl 1874310884 SBBYHOUYRBDYJG-ZVHZXABRSA-N 447.391 5.539 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(CCCOc3ccccc3)nnc2SC)cc1 1874315316 MPDZREDGFCFHJL-NCELDCMTSA-N 438.597 5.463 30 10 IKEE Cc1ccc(CCc2nnc(SCCc3ccccc3)n2/N=C/c2ccccc2)cc1C 1874331572 SWFHZKFFXGJCRC-VFCFBJKWSA-N 440.616 5.897 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCCc2ccccc2)n1/N=C/c1ccc(F)cc1 1874400574 UGESFERKBVCATK-RTMGKINMSA-N 430.552 5.786 30 10 IKEE CCc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCc2cccc(F)c2)cc1 1874411949 SVVNHRCEARLKTE-MFKUBSTISA-N 436.581 5.806 30 10 IKEE Cc1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2ccc(N(C)C)cc2)cc1 1874420584 TVRRJSLOEZRHPT-BUVRLJJBSA-N 433.606 5.556 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2-c2cccs2)c1O 1874420879 JEYLKDBJIDVVED-FSJBWODESA-N 440.525 5.034 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2cccs2)cc1 1874426569 PBUYLHFRRCPYAP-BUVRLJJBSA-N 447.589 5.182 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCCC3)n2/N=C/c2cn(C)c3ccccc23)c1 1874455697 GSVITAZECSBCGX-JFLMPSFJSA-N 443.620 6.219 30 10 IKEE COc1cccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2-c2ccco2)c1O 1874466942 KJOJDRWKOMXGON-ZMOGYAJESA-N 434.521 5.044 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(C3CCC3)n2/N=C/c2ccc(Cl)cc2)cc1 1874494785 ZKHOMFRQRHIIAE-WSDLNYQXSA-N 427.917 5.282 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/n2c(S)nnc2CCCC)cc1Cl 1874559375 NNVGIYJZFCJENI-JJIBRWJFSA-N 437.053 6.574 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCCc2ccccc2)cc1 1874574094 UTTMSQFHBSKZGZ-FOCLMDBBSA-N 448.990 7.209 30 10 IKEE CCCOC(=O)COc1ccc(Br)cc1/C=C/C(=O)c1ccccc1Cl 1874574563 SXTOGHYCCPCTAZ-VQHVLOKHSA-N 437.717 5.331 30 10 IKEE Cc1cc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)NCc2ccccc2)ccc1F 1874581399 LWUQUWBOBODKNT-DHZHZOJOSA-N 437.898 5.379 30 10 IKEE CCOC(=O)c1ccc(COc2ccccc2/C=C/C(=O)c2cc(Cl)ccc2Cl)o1 1874591510 OPCTZICQQFBNKU-YRNVUSSQSA-N 445.298 6.238 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OCc1cccc2ccccc12 1874596057 MAEVQESDKIUFAL-GXDHUFHOSA-N 426.487 6.771 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1OCc1ccc([N+](=O)[O-])cc1 1874599628 WLUHBTZWJBHTOT-XYOKQWHBSA-N 445.515 6.312 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(OC)c1OCc1ccccc1Cl 1874604918 LLNNNLJAYSDXBY-DTQAZKPQSA-N 446.974 7.115 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OCC(=O)Nc1ccc(F)cc1 1874611740 SQILXQBMPPSBRL-RIYZIHGNSA-N 449.478 5.147 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OCC(=O)Nc1cc(C)cc(C)c1 1874620115 JUZQTYAUOXQXBV-WEVVVXLNSA-N 447.506 5.673 30 10 IKEE CCc1ccc(CCC(=O)Oc2cc(/C=C/C(=O)c3ccc(Cl)cc3)ccc2OC)cc1 1874700995 WICZEKZDABERKU-OVCLIPMQSA-N 448.946 6.345 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)C34CC5CC(CC(C5)C3)C4)c2)cc1 1874701341 NOUHPVQRKMVPRI-IZZDOVSWSA-N 430.544 6.103 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1[N+](=O)[O-] 1875095337 LFOKEHZYGONILY-RVDMUPIBSA-N 431.488 6.520 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3C)c(OC)c2)cc1 1875107908 PAOJDGPAPJHOPX-GHRIWEEISA-N 428.528 6.462 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3ccc(/C=C/C(=O)c4ccc([N+](=O)[O-])cc4)cc3)c(C)c2c1 1875116492 DXVVNYXRDXHMJT-MKMNVTDBSA-N 440.455 5.808 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)CC2CCCCC2)c(Cl)c1 1875143442 ZSKCMTFUNXALHV-PKNBQFBNSA-N 426.940 6.429 30 10 IKEE Cc1cnc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2Cl)cn1 1875148198 FZOLELQBRLPKAH-VZUCSPMQSA-N 434.923 5.851 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)CCCSC 1875158893 RXNRSMLJZLWHFX-MDWZMJQESA-N 428.525 5.508 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2F)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 1875162960 XYTZCDNRQLAWLL-WEVVVXLNSA-N 427.334 5.127 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1OCC 1875164422 JPCZEGDVUOESOY-LDADJPATSA-N 444.527 6.869 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)N(Cc1ccccc1)Cc1ccccc1)n2CC=C 1875227879 PGOOEHFLGWCPAY-UHFFFAOYSA-N 437.547 5.058 30 10 IKEE CC[C@@H](NC(=O)OC(C)(C)C)[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1936065359 BIJXRDLDKICBTH-VGOFRKELSA-N 437.968 5.667 30 10 IKEE CC[C@](C#N)([C@@H](C)NC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)c1cccc(OC)c1 1944143157 AGYSZMWSMWHIRP-MWTRTKDXSA-N 433.549 5.022 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)C2CCN(C(=O)OC(C)(C)C)CC2)c1 1944715253 RRHMZZXKXDBTEC-FQEVSTJZSA-N 429.561 5.276 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@]1(C#N)CCCN(Cc2ccccc2)CC1 1997811208 CSHMNORUEYJWMW-RUZDIDTESA-N 439.987 6.030 30 10 IKEE C=C(CO)[C@@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]34C)[C@H]12 2054325755 ZNUAKACHFYTNFX-RYIHONRDSA-N 442.728 6.997 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](N)c2ccc(Cl)c(Br)c2F)C1 2063050844 FZMRJACNILTLIM-HNNXBMFYSA-N 433.749 5.103 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Cl)c(Br)c1F 2063095938 XQQZVSUGAPWWMN-CJNGLKHVSA-N 435.765 5.362 30 10 IKEE CC[C@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(OC)cc1 2067962258 GHBZQTSMBSAAKZ-DVECYGJZSA-N 445.560 5.118 30 10 IKEE C#CC[C@@H](C[C@@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC)C1CC1 2076099355 PAYAWQVYQCUYPU-SDHOMARFSA-N 442.644 5.294 30 10 IKEE C=C(c1ccccc1)[C@H](NC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2076577302 WLVVJKXAKBEUSD-RPLLCQBOSA-N 436.596 5.132 30 10 IKEE CCCc1ccc([C@H](C(C)C)n2nc(C(F)F)c(C#N)c2I)cc1 2079906947 VQRRIVOZPLULRC-INIZCTEOSA-N 443.279 5.495 30 10 IKEE CCCc1ccc([C@H](n2nc(CC)c(C#N)c2I)C2(C)CC2)cc1 2080005432 KTAOMLPXAXJMHW-SFHVURJKSA-N 433.337 5.264 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)c(Cl)c1 2103314769 QVXKOYIQSKPVPA-ROUUACIJSA-N 445.829 6.003 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCCO[C@@H]1C(C)(C)C 2160258461 PXNOVMQZRMHJNA-DYESRHJHSA-N 437.378 5.678 30 10 IKEE CO[C@H]1CC(F)(F)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2162038126 YOOVZKNRUOSCES-MAUKXSAKSA-N 445.304 5.287 30 10 IKEE C[C@H](NC(=O)OC(C)(C)C)c1ccc(Nc2cc(Br)c(C#N)cc2F)cc1 2162316307 JUXSHHPYSAEGLS-LBPRGKRZSA-N 434.309 5.789 30 10 IKEE CN(c1ccc(C#N)c(Br)c1F)[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 2190462348 UOSRQHXPZFHSMK-CGBFIWBNSA-N 429.333 5.280 30 10 IKEE CN(c1ccc(C#N)c(Br)c1F)[C@H]1CCCC[C@H]1N(C)C(=O)OC(C)(C)C 2203604871 APCQZIZFJKSJJA-LSDHHAIUSA-N 440.357 5.074 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)cc(F)cc1Br 2225592599 GPPYAOJGUPXTST-RDJZCZTQSA-N 433.337 5.237 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@H](O)C#Cc2ccccc2Br)cc1Cl 2227483742 JATHWEFEPNNXAE-GOSISDBHSA-N 436.733 5.535 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)CCC(C)(C)NC(=O)OC(C)(C)C 2235747646 RMEFPNIZTWLATL-GOSISDBHSA-N 437.422 5.252 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1sc(Cl)cc1Br 2259913473 GGKYSRRGMYBMNF-AWEZNQCLSA-N 441.778 6.479 30 10 IKEE CC(C)(C)OC(=O)NCc1ccc(Nc2ccc(Br)cc2C#N)cc1Cl 2266922712 DBVKDQZQHFZNBM-UHFFFAOYSA-N 436.737 5.742 30 10 IKEE CC1(C)OB(c2csc(C(=O)Nc3cccc(Cl)c3Cl)c2Cl)OC1(C)C 2281947447 OMMGUSXXTWPPDE-UHFFFAOYSA-N 432.565 5.260 30 10 IKEE CC[C@H](C)Oc1c(C=C2SC(=Nc3ccccc3)N(CCOC)C2=O)cccc1OC 2294137542 LNIFIALKAWDNAG-KRWDZBQOSA-N 440.565 5.123 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C(=O)C#Cc2ccc(Br)cc2)(C(C)(C)C)C1 2296230227 RCWDYPPOAGDSLF-QFIPXVFZSA-N 434.374 5.043 30 10 IKEE COc1ccccc1C=CC=C1Oc2c(ccc(O)c2CN(CC(C)C)CC(C)C)C1=O 2296601824 BCLQDRIPSAGUPP-UHFFFAOYSA-N 435.564 5.687 30 10 IKEE CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC(=Cc5cnn(C)c5C)C(=O)[C@@]4(C)CC[C@@H]32)C1 2297556290 JMQZWPIAQPSGBR-AROXNORKSA-N 436.596 5.185 30 10 IKEE CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H]([C@@H](C)[N+](=O)[O-])[C@H](C(C)=NO)[C@@]4(C)CC[C@@H]32)C1 2297623946 VOETZVYTDQTIBX-QMZGGQSUSA-N 446.588 5.239 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2302797147 XYKRJTGVWUJOKC-XUVXKRRUSA-N 435.609 5.532 30 10 IKEE O=C1C(=Cc2ccc(Cl)c(Cl)c2)Oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc21 2314437725 VBWBKEVGBGLJPN-UHFFFAOYSA-N 442.254 6.097 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2318571750 RNWJPRZSTDKCKF-UHFFFAOYSA-N 447.520 5.172 30 10 IKEE Oc1ccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C2CC2)c(O)c1 2320892244 XZGGTMXJQRYUJM-UHFFFAOYSA-N 435.336 5.048 30 10 IKEE Cc1cc(C)cc(CSc2nnc(C)n2N=Cc2ccc(OC(=O)c3ccco3)cc2)c1 2321817809 PNJNWJSZRLNQPV-UHFFFAOYSA-N 446.532 5.190 30 10 IKEE C[C@H]1CCCC[C@@H]1N1COc2ccc3c(c2C1)OC(=Cc1ccccc1OC(F)F)C3=O 2322146157 JPBYBADBXKZIGJ-KXBFYZLASA-N 441.474 5.635 30 10 IKEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1ccc(F)cc1F)NC1CCCCC1 2322502007 PIKNEOGYDQTFOA-UHFFFAOYSA-N 433.882 5.342 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(Cl)cc2C=CC(=O)c2ccc(Cl)cc2)cc1 2322534954 FZGMSCSSQYSOSP-UHFFFAOYSA-N 440.326 6.215 30 10 IKEE COC(=O)c1ccc(COc2ccc(Br)cc2C=CC(=O)c2ccccc2)o1 2322542595 RRDLOEAQVHQWME-UHFFFAOYSA-N 441.277 5.304 30 10 IKEE COC(=O)COc1c(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc(Cl)cc1OC 2322582943 GAYQFBKIWKYSNL-UHFFFAOYSA-N 429.683 5.103 30 10 IKEE CCN(CC)C(=O)COc1ccc2ccccc2c1C=CC(=O)c1cc(OC)ccc1OC 2322660034 XQIPMTNRDYCDMA-UHFFFAOYSA-N 447.531 5.000 30 10 IKEE Cc1cc(OC(=O)c2ccccc2Br)cc2c1C(=O)C(=Cc1ccco1)O2 2322708669 JKHAZVRQTDTDIA-UHFFFAOYSA-N 425.234 5.186 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C(C)C)cc2)c1OCC(=O)Nc1ccccc1 2322738137 UQKLFCSHDQEMIR-UHFFFAOYSA-N 429.516 5.732 30 10 IKEE Cc1c(OC(=O)N2CCOCC2)ccc2c1OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2322830538 MAPRPJDVKRQHMH-UHFFFAOYSA-N 441.483 5.109 30 10 IKEE O=C(C=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccc2ccccc2c1 2323047669 WYXMOQCAWSRIKN-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE Cc1ccc(NC(=O)COc2cccc(C=CC(=O)c3ccc(Cl)c(Cl)c3)c2)cc1 2323150671 CSUOLTFSHBJFSE-UHFFFAOYSA-N 440.326 6.215 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OCC(=O)N[C@@H](C)c2ccccc2)c1 2323332027 LYJOIJVYAHKQIK-SFHVURJKSA-N 449.934 5.501 30 10 IKEE Sc1nnc(CCc2ccccc2)n1N=Cc1ccc(OCCCc2ccccc2)cc1 2323504117 NUQYCBWWQDZBEK-UHFFFAOYSA-N 442.588 5.246 30 10 IKEE COc1cccc(C=Nn2c(S)nnc2-c2ccccc2)c1OCc1cccc(C)c1 2323519056 HUHUCVQAJUTLAT-UHFFFAOYSA-N 430.533 5.012 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)ccc1OCc1nc(O)c2ccccc2n1 2323626904 FFGSAJYTYHQCPX-UHFFFAOYSA-N 446.890 5.473 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OC(=O)C=Cc3ccccc3)cc(C)c2C1=O 2323750271 XAEJKZOXQGRDQD-UHFFFAOYSA-N 426.468 5.629 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(OC)cc2)C3=O)cc1 2323791072 JPGOMKKLZIDOPW-UHFFFAOYSA-N 430.456 5.238 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)NC1CCCCC1 2323792159 YWLLYESJZZVAMN-UHFFFAOYSA-N 441.955 5.463 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(O)c3CN3CCC(Cc4ccccc4)CC3)C2=O)o1 2324029719 GTFPKIMXYLRMSW-UHFFFAOYSA-N 429.516 5.365 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(ccc(O)c3CN(C)C3CCCCC3)C2=O)cc1 2324074010 YCKDAGKLPZWSFH-UHFFFAOYSA-N 434.580 5.619 30 10 IKEE COc1ccc(OC)c(C=C2Oc3cc(OCCCOc4ccccc4)cc(C)c3C2=O)c1 2324234716 DFODLWZWHDCFLS-UHFFFAOYSA-N 446.499 5.476 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OCCCO)c(Br)c2)cc1C(C)C 2324262380 BZPPXOJBSOFHMW-UHFFFAOYSA-N 447.369 5.547 30 10 IKEE N#C[C@H](C(=O)C=Cc1ccccc1Cl)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2324331747 TXLGAUPXMTVPJJ-JOCHJYFZSA-N 440.955 7.020 30 10 IKEE C=C(C)COc1c(OC)cc(C=CC(=O)c2ccc(OCC)cc2OCC)cc1OC 2324490785 NVYQPVSZYPDKPR-UHFFFAOYSA-N 426.509 5.352 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c([N+](=O)[O-])c2)c(C)c1 2324555136 UPSGAYGHXWLFLY-UHFFFAOYSA-N 446.459 5.903 30 10 IKEE CC(C)(C)c1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 2324605969 DNGKPCXHWHAJKY-HXUWFJFHSA-N 444.556 5.768 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)C=Cc2ccc(Cl)cc2)n1 2324794861 XVBRZSGPVUVHBW-OAQYLSRUSA-N 434.992 6.959 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccc(C)cc3)c2)cc1C 2325712874 GCNVTPQPNRXMIX-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1OC(=O)c1ccc2c(c1)OCO2 2325727655 QHOQUEXGPZLNGC-UHFFFAOYSA-N 436.847 5.193 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)C(c3ccccc3)c3ccccc3)c2)c(C)c1 2325736168 CVVVIKBLWCPLIG-UHFFFAOYSA-N 446.546 6.937 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)CCc3ccc(Cl)cc3)c2)cc1 2325739456 UCNGORBSLBKUIZ-UHFFFAOYSA-N 448.946 6.563 30 10 IKEE CCCc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3cc(C)ccc3C)c2)cc1 2325740462 OEXKCHJPJLAUSG-UHFFFAOYSA-N 428.528 6.136 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)CCCOc3ccccc3)c2)c(C)c1C 2325755541 ARHZPSPJHMJNAM-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE CCOc1cccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(OC)cc3OC)c2)c1 2325761856 FXEYSXPWNIDOPU-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1c(O)ccc2ccccc12 2326513058 NYFCMGRBPBIRKC-UHFFFAOYSA-N 443.359 5.927 30 10 IKEE CCCOc1c(Cl)cc(C=Nn2cnnc2SCc2cc(C)ccc2C)cc1Cl 2326589218 RDKBDQVWOPAIPO-UHFFFAOYSA-N 449.407 6.165 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C)n2N=Cc2ccccc2COc2ccccc2)c1 2326589415 LVIQAUMSAKRKBG-UHFFFAOYSA-N 442.588 5.957 30 10 IKEE Cc1ccc(C=Nn2c(Cc3cccc4ccccc34)nnc2SCc2ccccc2)cc1 2327751626 XJNVBYULZXLDOW-UHFFFAOYSA-N 448.595 6.505 30 10 IKEE CCOc1ccc(Cc2nnc(SCC)n2N=Cc2c(OC)ccc3ccccc23)cc1 2328566075 PVEKRDTVURBHFH-UHFFFAOYSA-N 446.576 5.424 30 10 IKEE Cc1ccccc1C=Nn1c(CCCOc2ccccc2)nnc1SCc1ccccc1 2328745070 CTZAFONOKZQQSZ-UHFFFAOYSA-N 442.588 5.773 30 10 IKEE C=CCSc1nnc(CCc2ccccc2C)n1N=Cc1ccc(Cl)cc1Cl 2329499917 ZHYPPNHNDMBUFZ-UHFFFAOYSA-N 431.392 5.839 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(F)cc3)n2N=Cc2ccc(O)cc2)c1 2329818940 ZPNLBSNGRXSHKR-UHFFFAOYSA-N 432.524 5.197 30 10 IKEE CC(=NOCc1cc(=O)c(OCc2ccccc2)cn1C)c1ccc(-c2ccccc2)cc1 2330458764 CPBWCUZQWPOZBX-UHFFFAOYSA-N 438.527 5.572 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCc3ccc(Cl)cc3)nnc2-c2cccs2)c1 2330599715 NNQAKJDFCCWZBK-UHFFFAOYSA-N 440.981 5.849 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(OC)c3)cc2OC)cc1 2330736194 QASGCNQJQCSLMA-UHFFFAOYSA-N 446.499 5.390 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccc(OC)cc3)c(OC)c2)cc1 2330770398 FOCNIGZMNLZWSF-UHFFFAOYSA-N 444.527 5.701 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccc(OC)cc3)c(OC)c2)cc1 2330772760 NRXDCEIBKRGXPI-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE Cc1ccccc1CSc1nnc([C@H]2CCCO2)n1N=Cc1ccc(C(C)(C)C)cc1 2330895996 UDQRSXNZKNGNDE-JOCHJYFZSA-N 434.609 5.910 30 10 IKEE Cc1cccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CCCC2)c1 2331084623 RTTWEBHJBQBKFA-UHFFFAOYSA-N 426.589 6.572 30 10 IKEE Cc1ccccc1C=Nn1c(SCC(=O)Nc2c(C)cccc2C)nnc1C(C)(C)C 2331392044 KVWFSFUCBWLFOA-UHFFFAOYSA-N 435.597 5.114 30 10 IKEE CC(C)(C)c1nnc(SCc2ccccc2)n1N=Cc1cc(Br)ccc1F 2331397174 QGTCUBQJZBFPNZ-UHFFFAOYSA-N 447.377 5.652 30 10 IKEE COc1ccc(OC)c(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C(C)(C)C)c1 2331405285 BJTSZJXQZOVBNM-UHFFFAOYSA-N 444.988 5.421 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCO4)cc2Cl)cc1 2331437947 WOOOQJFFABDEFP-UHFFFAOYSA-N 434.875 5.421 30 10 IKEE Fc1cccc(CSc2nnc(C3CCC3)n2N=Cc2cccc(Br)c2)c1 2331501120 NEPHDKFMPRLDTG-UHFFFAOYSA-N 445.361 5.622 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1ccc(Cl)c(Cl)c1 2331630509 XWQAPHFBXYEKIQ-UHFFFAOYSA-N 448.379 5.150 30 10 IKEE CCCC(=O)Oc1c(OCC)cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1[N+](=O)[O-] 2331667850 DAUCUFFZXJYHSA-UHFFFAOYSA-N 441.480 5.221 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3cccc(C)c3C)cc2)c(OC)c1 2331716767 KZZYBOOJFJHJCS-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2ccc(OC(=O)c3sccc3C)cc2)cc1Cl 2331804829 PTVURGDVXSAFGK-UHFFFAOYSA-N 447.339 6.487 30 10 IKEE CCCCCOc1ccc(C=NNc2oc(-c3ccc(Br)o3)nc2C#N)cc1 2331936598 UABPFXLJTSTKMG-UHFFFAOYSA-N 443.301 5.584 30 10 IKEE CC1(C)OB(C=Cc2ccc(N[C@H]3C[C@@H]4C[C@@H](OCc5ccccc5)C[C@H]34)nc2)OC1(C)C 2365108909 XFXYPNYSXUYUEV-KIHHCIJBSA-N 446.400 5.522 30 10 IKEE C=C1CC(CNC(C)(C)C)(Cc2ccc(I)c(Br)c2)C1 2377436125 BPPXBJYYLPRSQH-UHFFFAOYSA-N 448.186 5.321 30 10 IKEE CC(C)c1cc(Br)ccc1OCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 1984346 DMFLCDQFLNFEQT-CYBMUJFWSA-N 447.398 5.648 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nc2cc(-c3ccccc3)sc2c1=O 13353308 CTHWQOSZGQYHAF-UHFFFAOYSA-N 447.585 5.350 30 10 IKEE Cc1ccc(/N=C/c2ccc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccccc3)cc2)cc1 15772838 BOOALDUAVCPFPA-SSQLPREDSA-N 429.567 7.410 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(C(F)(F)F)cc2)cc1 21252990 DQFSWVBWRZBWFU-VQIMIIECSA-N 429.438 5.108 30 10 IKEE CCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(CC)cc2)C3)cc1 21259907 JUUOYHNSLYRLFQ-KPURRNSFSA-N 438.571 6.627 30 10 IKEE O=C(Oc1ccc(F)cc1C(=O)/C=C\c1ccccc1F)c1ccccc1Br 33442430 IJBGIDNOIXWFQN-LUAWRHEFSA-N 443.243 5.843 30 10 IKEE Cc1cc(S[C@@H](C)C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)ncn1 40171283 WSHWUSAQDUEONY-KRWDZBQOSA-N 440.528 5.703 30 10 IKEE C=CCc1ccc(OCCCCn2c(CNC(=O)CCC)nc3ccccc32)c(OC)c1 40189247 XRWYJBALGBYLCB-UHFFFAOYSA-N 435.568 5.049 30 10 IKEE Cc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCCc2ccccc2)C4)cc1 41644256 GTIPTALBKDONHZ-XYGWBWBKSA-N 425.528 5.704 30 10 IKEE O=C1c2cccc3cccc(c23)C(=O)N1c1ccc(/N=C/c2c(Cl)cccc2Cl)cc1 59471559 FXVRXUJRHYGJAT-CCVNUDIWSA-N 445.305 6.698 30 10 IKEE Cc1nc2scc(-c3ccc(-c4ccccc4)cc3)c2c(=O)n1Cc1cccc(C#N)c1 96523131 YHIXKXNTYVETIV-UHFFFAOYSA-N 433.536 6.020 30 10 IKEE COc1ccc(C(=O)/C=C\c2ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c2)cc1 97993015 UWBCCRXZFIETDF-WCSRMQSCSA-N 431.488 6.589 30 10 IKEE C/C=C/Oc1ccc(C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3o2)cc1 98037252 KOCPPQOGKJFGLW-VDBMQTAQSA-N 426.428 6.072 30 10 IKEE C/C=C\Oc1ccc(C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)c2nc3ccccc3o2)cc1 98037259 VYHJWELMMIXHGU-WDEGSRPOSA-N 426.428 6.072 30 10 IKEE CCCCCCCCCCCCCCCCNCC(=O)Nc1ccc(Cl)cc1Cl 100055453 TZAOTJWBRLSZKX-UHFFFAOYSA-N 443.503 8.003 30 10 IKEE CCCCCCCOc1ccc2ccccc2c1[C@@H]1Nc2ccccc2C(=O)N1C(C)C 100134409 BGSYVXUZXDFYGM-HHHXNRCGSA-N 430.592 7.164 30 10 IKEE CCCCCCCCn1c([C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)nc2ccccc21 102105824 WAMVEIJVMAICEI-IBGZPJMESA-N 433.552 5.646 30 10 IKEE CCCCCCCCCCCn1c([C@H](C)NC(=O)Cc2ccccc2C)nc2ccccc21 102132886 SVYUGXKPYKHQIQ-DEOSSOPVSA-N 447.667 7.295 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)/C(=C(\O)c4ccccc4)[C@H]3c3ccccc3)sc2c1 102724432 CZGHKPKGYRKNFM-RKKARLDVSA-N 440.524 5.485 30 10 IKEE CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(C)cc2)cc1 103220622 YZYOGDQIWSWHSP-AGGMBTAESA-N 448.544 5.093 30 10 IKEE O=C1/C(=C\c2ccc(N3CCCC3)o2)S/C(=N/c2ccccc2)N1Cc1ccccc1 103854491 ZSAKKLPUNVREFP-NEMYEJEXSA-N 429.545 5.684 30 10 IKEE C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1C/C(=C/c1cccc(Br)c1)C2=O 118915812 OMJIZRMQBBHMOY-JUYURCDASA-N 441.453 7.444 30 10 IKEE CCCCCCCCCCCCCCCCCCN/C(C)=C1\C=Cc2ccccc2C1=O 137884204 DXEKREGZTKGWGB-BYCLXTJYSA-N 437.712 9.021 30 10 IKEE CC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 169936874 JTCZBXVCVKOWKA-HXUWFJFHSA-N 435.376 5.296 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2cccc(Cl)c2)c1 169970118 MCFRZHQTKGLJQU-QHCPKHFHSA-N 443.886 6.178 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C 169974772 CVNXOKIDNAVYGP-RUZDIDTESA-N 439.555 6.384 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@H]2c2ccncc2)c1 170021612 VBNUWGPKSQZGJA-QFIPXVFZSA-N 432.907 5.443 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2c[nH]c3ccccc23)cc1 170074357 WNTUKNGQNLZFBB-RUZDIDTESA-N 436.511 5.822 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1c1ccccc1 170122504 FBLHTZIWJHAOGA-XMMPIXPASA-N 443.499 5.265 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccs1 170160086 DMNPILUWKQTDTM-QHCPKHFHSA-N 441.508 5.693 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccs2)c(C)c1 170160722 KCOSHAGMEOENQM-QFIPXVFZSA-N 429.497 5.894 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2cccs2)c1 170166852 KXCLFXKKMUBPLY-OAQYLSRUSA-N 437.492 5.064 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@@H]2c2ccccn2)cc1 170170948 JXUACUUZGWEIEE-XMMPIXPASA-N 442.515 5.216 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(OCC)c(OC)c1 170216531 NBBMZKGSHLHHKH-XMMPIXPASA-N 445.515 5.235 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc(OCC)c1 170218398 IJROVKIUQXEFAM-RUZDIDTESA-N 443.543 6.007 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@H]1c1cccc2ccccc12 170220991 KTABEELLFWHUAP-HSZRJFAPSA-N 449.934 5.880 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@@H]1c1ccccc1 170232922 SBEWJAGZGFICBO-DEOSSOPVSA-N 435.564 5.896 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(C4CCCC4)[C@@H]3c3ccccc3F)oc12 170253696 MIBKDTHSRYOTFK-OAQYLSRUSA-N 435.451 5.101 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2C)ccc1Cl 170275293 JWMCCPLYHNFFGN-QFIPXVFZSA-N 439.939 5.568 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccco2)cc1C 170282771 LHJPWCASQHMRAH-XMMPIXPASA-N 445.515 5.777 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2ccc(Cl)cc2)o1 170303235 KYSRHTVVDYHDCL-QHCPKHFHSA-N 443.886 6.178 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1ccc(C)o1 170304065 DPMVTGHGUNXUIT-HSZRJFAPSA-N 447.487 5.167 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2cn(C)c3ccccc23)cc1C 170395487 VCTCFOVFFFXUTM-HSZRJFAPSA-N 426.472 5.171 30 10 IKEE COC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 170468076 YPRRWPDOXPOHTC-NRFANRHFSA-N 449.547 5.286 30 10 IKEE COc1cc(C=NNc2nc3ccccc3s2)ccc1OCc1ccccc1[N+](=O)[O-] 254396967 KJBPOBZAAJYKJJ-UHFFFAOYSA-N 434.477 5.238 30 10 IKEE O=S(=O)(/N=C(/N=C(Oc1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 254710196 KSAJPVALNWFCIF-DMXPLVJRSA-N 440.524 5.348 30 10 IKEE CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2CC)SC1=Nc1ccc(F)cc1 254876988 SVOJEHXKRCNGSE-CPRINYKCSA-N 429.542 5.218 30 10 IKEE CCCOc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 526772112 CKFUXBBAFITNBI-QHCPKHFHSA-N 447.918 5.912 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccc3ccccc23)cc1 526772501 JOCWSEXXWIAAPU-MHZLTWQESA-N 447.534 6.746 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1cn(C)c2ccccc12 526817722 AEDJJYGFSFMTQN-ROTLSHHCSA-N 441.963 5.689 30 10 IKEE CC(C)(C)c1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccccc2Cl)cc1 586202354 KXNIICCTRUNLQF-UHFFFAOYSA-N 438.980 5.905 30 10 IKEE CCCCCCC[S@@](=O)CC(=O)Nc1scc(-c2ccc(C)cc2)c1C(=O)OCC 586297254 RKFUPVSKVQIRQE-SSEXGKCCSA-N 449.638 5.558 30 10 IKEE CC(C)(C)OC(=O)N=C(NC(=O)OC(C)(C)C)N1CCc2cc(Cl)c(Cl)cc2C1 687751412 YYOIKHZEHUETKD-UHFFFAOYSA-N 444.359 5.167 30 10 IKEE COc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)cc1O 698448460 XEWJHMWXEKZGDP-MRXNPFEDSA-N 433.302 5.170 30 10 IKEE COCc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)cc1 698454757 XQDBUMHOGZGFSZ-IBGZPJMESA-N 431.330 5.602 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2cccc(Br)c2F)c1 698480049 YZSRCYPLERHSON-KRWDZBQOSA-N 435.293 5.603 30 10 IKEE CCCCCCCCCC[C@@H](O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 702446750 YUSWSOWZFCWVJQ-BJKOFHAPSA-N 434.665 5.903 30 10 IKEE C=C1CCC(C[C@H](NCC)c2ccc(I)c(Br)c2)CC1 724603303 UIWQJRPJIKCHHT-KRWDZBQOSA-N 448.186 5.841 30 10 IKEE O=[N+]([O-])c1ccc(-c2sc(N=Cc3ccccc3F)nc2-c2ccc(Cl)cc2)cc1 1084447810 RMWSNFRXKJFAGG-UHFFFAOYSA-N 437.883 6.928 30 10 IKEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](CC(C)C)C1 1722590389 DCFUHURFNYIUEU-SFHVURJKSA-N 434.588 5.069 30 10 IKEE Cc1cc(C)cc(-n2c(C)cc3c2CC(C)(C)CC3=NOC(=O)c2ccc(Cl)cc2)c1 1772728269 BWQKDLKJRNIHGV-UHFFFAOYSA-N 434.967 6.589 30 10 IKEE CCN(C(=O)c1oc2c(c1C)C(=NNc1ccc([N+](=O)[O-])cc1)CCC2)c1cccc(C)c1 1772747078 HQUFCZHZOXSFJB-UHFFFAOYSA-N 446.507 5.624 30 10 IKEE CCCCCCCCCOc1cccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c1 1860116389 QVOOHPGSTJDHBH-FYWRMAATSA-N 434.407 7.775 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(OCC)cc1 1862383513 LPVWRLLDWBYJSZ-HXUWFJFHSA-N 448.346 5.771 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862481626 HQZGXPXUEBPIHN-NRFANRHFSA-N 445.481 6.172 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccc(O)c(O)c2)c1 1862488888 KKABEQPKFJLLFB-DEOSSOPVSA-N 449.547 5.406 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2ccccc2F)c1 1862489616 DPPSYXUTCYQMRG-JOCHJYFZSA-N 435.520 5.325 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(F)cc2F)c1 1862491390 RSRPCSDWGWSSHA-HSZRJFAPSA-N 439.502 5.883 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(Cl)cc1Cl 1862498167 BJQLJNWIDHMDDU-VBKZILBWSA-N 432.347 5.987 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccccc2)cc1 1862515519 WUCAYQZJNKEIGM-DFBJGRDBSA-N 441.527 5.815 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 1862532461 DLEJAVHTEAKFBU-JOCHJYFZSA-N 434.492 5.068 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2Cc2cccs2)cc1 1862534842 VSYANFCFZSCJIC-QHCPKHFHSA-N 447.556 5.488 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2CCC(C)C)cc1 1862536682 DOAJCQJZCSYCQN-DEOSSOPVSA-N 435.564 5.662 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1862540492 OUIZSQGWGHQLLL-XCLFUZPHSA-N 442.899 5.187 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc2cc[nH]c2c1 1862560845 NGVYKYZVTAGFSX-URXFXBBRSA-N 445.563 5.687 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C2CCCC2)cc1 1862580454 JZRQWNPSIAXIIN-FQEVSTJZSA-N 430.331 5.823 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2ccccc2)cc1 1862589937 XBXVRUAABXWDTR-XDHUDOTRSA-N 427.500 5.294 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2[C@@H](C)c2ccccc2)c1 1862625980 RHAWVZLAWBFSNK-BXKMTCNYSA-N 441.483 5.063 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccccc2)cc1 1862659657 BZGTXBAGXIJYCY-VWLOTQADSA-N 431.576 6.501 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccc(Br)c1 1862669713 CODDDALRHKEPMP-HXUWFJFHSA-N 440.337 5.337 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CC(C)C)ccc1O 1862717061 VQXFVVPTPZXXFP-XMMPIXPASA-N 445.515 5.178 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862724885 WMTVMHPBWQDOOB-BCHFMIIMSA-N 439.555 6.293 30 10 IKEE C=CCOc1ccccc1/C=C1\C(=O)N(Cc2c(F)cccc2Cl)N=C1c1ccccc1 1865666410 JUMJRAHBHHZGIQ-SILNSSARSA-N 446.909 5.874 30 10 IKEE C=CCOc1ccccc1OCC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 1865773396 REMYELKWQZLWIA-UHFFFAOYSA-N 435.332 5.699 30 10 IKEE CC[C@H]1Cc2cc(OC)ccc2N(c2cc(Nc3cccc(C#N)c3)nc(C(C)C)n2)C1 1868221094 DVHXFOUWCMQLCS-SFHVURJKSA-N 427.552 5.944 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3ccccc3[C@H]2c2cccc(OC)c2)nc(CC)n1 1869126584 AJYFLSYSYHRGEX-MUUNZHRXSA-N 440.591 5.378 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)cc2Cl)c(=O)cc1CN(CCC)CCCC 1870346624 WCOYKMPDMNYSGH-UHFFFAOYSA-N 437.411 5.932 30 10 IKEE C=CCOc1cn(CCCOC(C)C)c(CNc2cc(Cl)cc(Cl)c2)cc1=O 1870811150 LGHHGRHLQIRLRB-UHFFFAOYSA-N 425.356 5.147 30 10 IKEE C#CCOc1cn(Cc2ccccc2C)c(CNc2ccc(Cl)c(Cl)c2)cc1=O 1871007328 WPMFPDXOOAENGA-UHFFFAOYSA-N 427.331 5.136 30 10 IKEE C=CCn1cc(OCc2c(F)cccc2Cl)c(=O)cc1CNc1cc(C)cc(C)c1 1871089741 ZVAAWBXLOXXGED-UHFFFAOYSA-N 426.919 5.635 30 10 IKEE C=CCn1cc(OCc2ccccc2Cl)c(=O)cc1CNc1cccc(C(F)(F)F)c1 1871242593 QGCVIATXDQXCMM-UHFFFAOYSA-N 448.872 5.898 30 10 IKEE CCCCCCCCCCN=c1nc2c(cnn2C)c(Nc2cc(OC)cc(OC)c2)[nH]1 1871298608 CUBBWSPRNWERDO-UHFFFAOYSA-N 440.592 5.099 30 10 IKEE CCCCOC(=O)c1ccc(CN2COc3cc(C)c4c(c3C2)OC(=C(C)C)C4=O)cc1 1871346293 XDIDRZFAWJXAGA-UHFFFAOYSA-N 435.520 5.173 30 10 IKEE CCCCOCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(Cl)cc1)C3=O 1871350852 XGYJZBRPWMWHIX-HMAPJEAMSA-N 427.928 5.315 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(Cl)c(Cl)c1)C3=O)CN(CCCN(C)C)CO2 1871352616 SXNOGNRBDRWKKE-JMIUGGIZSA-N 447.362 5.022 30 10 IKEE CCCCCCCCCCN1COc2c(cc3c(c2C)O/C(=C\c2cccs2)C3=O)C1 1871354852 DSOCJBJPVNLWMN-KQWNVCNZSA-N 439.621 6.965 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc([N+](=O)[O-])cc1)C3=O)CN(C1CCCCCCC1)CO2 1871355307 CYLOQICBGPDDLW-QRVIBDJDSA-N 448.519 5.784 30 10 IKEE C=CCOc1cccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)cc(=O)c3c2)c1 1871358261 JFORLOANBPBCMW-UHFFFAOYSA-N 439.511 6.401 30 10 IKEE Cc1nc2ccc(C(=O)Oc3ccc4c(c3C)O/C(=C\c3cccs3)C4=O)cc2nc1C 1871378975 KGSSJEGRTXBGGB-UUYOSTAYSA-N 442.496 5.452 30 10 IKEE CC(C)Oc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)c1 1871387221 KLIZNOVTOVLOBD-QRVIBDJDSA-N 434.875 5.963 30 10 IKEE Cc1cc(C)c(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)o2)C3=O)c(C)c1 1871401903 BVTZWZNRQOOYHU-OLRBPVQESA-N 445.515 5.844 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccccc4)c3C)C2=O)c1 1871404042 HGDQPYZYZRWWLA-XYLCRUHJSA-N 429.472 5.026 30 10 IKEE CC(=O)c1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871422457 LLUXBFJWRQYCQP-CFRMEGHHSA-N 441.483 5.140 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4C(F)(F)F)ccc3C2=O)o1 1871452747 XFKJRLCCJYVRLS-JAIQZWGSSA-N 443.377 5.241 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2cccs2)C3=O)cc1Cl 1871456647 OVNILERIAXJTEU-JAIQZWGSSA-N 425.893 5.344 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)C(C)C)S(=O)(=O)c1ccc(C)cc1 1872013938 OUHJQVQESSWLLC-HSZRJFAPSA-N 442.625 5.133 30 10 IKEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1ccc(Cl)cc1 1872080452 ZBGGYILPMRVTNO-JOCHJYFZSA-N 449.016 5.133 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 1872252738 VVZLWFMBHKMLCH-HSZRJFAPSA-N 428.598 5.068 30 10 IKEE C=CCN([C@@H](CCC)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)c(C)c1 1872456701 KUTCLLIORNHZFW-QFIPXVFZSA-N 449.016 5.249 30 10 IKEE CCc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(Cl)cc3Cl)n2)cc1 1872761383 MDFHNVRZEIBIIP-INIZCTEOSA-N 431.344 5.935 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-c4ccccc4)cc3)n2)cc1 1872762904 ZFZUCOPMWKZTHZ-RUZDIDTESA-N 436.580 7.310 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(C(C)(C)C)cc3)n2)cc1 1872770133 KRWOWPSAHHIRKZ-RJVUUZSNSA-N 444.600 6.786 30 10 IKEE CC(C)COc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 1872773453 OAZUHJUAVLPYLE-IBGZPJMESA-N 434.517 5.106 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1C 1872783064 QRLQXPCHRYPTET-VLCRHTCISA-N 443.572 5.213 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@H](C#N)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 1872788795 QPVVOAPEMKDADL-CQSZACIVSA-N 448.287 5.524 30 10 IKEE C=CCOc1ccccc1OCC(=O)Nc1cccc(-c2nc(-c3cccs3)no2)c1 1873430347 GEHCTZUPRKRDFN-UHFFFAOYSA-N 433.489 5.047 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1cc(OC)cc(OC)c1)n2C 1873619803 OCZJGTUSHZQFOZ-UHFFFAOYSA-N 439.560 5.010 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(C)c(C)c1)n2CC(C)C 1873621202 KNZOBDUNTOBRIC-UHFFFAOYSA-N 449.643 6.729 30 10 IKEE C=CCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1/N=C/c1ccccc1 1874196513 NXMSHCXSKVUTIZ-PCLIKHOPSA-N 436.581 5.324 30 10 IKEE CSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1ccc(C(C)C)cc1 1874197893 FTDRNULTVOVXIR-OVVQPSECSA-N 444.604 6.170 30 10 IKEE C(=N/n1c(CC23CC4CC(CC(C4)C2)C3)nnc1SCc1ccccc1)\c1cccs1 1874243485 IUDVQPNOGRPERK-WGOQTCKBSA-N 448.661 6.273 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccc(OCC)cc1 1874264456 YADCFCWOKNILMP-OEAKJJBVSA-N 428.945 5.070 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2/N=C/c2cccc(O)c2)cc1 1874388652 XCRYKNZAGSJRGM-CVKSISIWSA-N 432.524 5.197 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2cccc(F)c2)cc1 1874421540 QSWLNJGOPCBSLG-WSDLNYQXSA-N 439.497 5.228 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2/N=C/c2cccc(C)c2)cc1 1874421817 GDCSLBOTXNTBOL-ZVHZXABRSA-N 447.589 5.236 30 10 IKEE CCOc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccccc2F)cc1 1874438788 SZWFHJBICJVGRY-MFKUBSTISA-N 426.561 5.579 30 10 IKEE CCCSc1nnc(C(C)(C)C)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874484886 SQDLRZDVBSLLCX-MFKUBSTISA-N 443.016 6.192 30 10 IKEE Cc1ccc(OCc2nnc(S)n2/N=C/c2ccc(OCc3ccccc3)cc2)c(C)c1 1874563052 HQDKUGZKJCVZKH-CVKSISIWSA-N 444.560 5.224 30 10 IKEE CCCOc1ccc(/C=N/n2c(S)nnc2CCc2ccc(C)c(C)c2)cc1OCC 1874564735 QWEZXIHRKAXPIO-PCLIKHOPSA-N 438.597 5.039 30 10 IKEE CCCCOc1ccccc1/C=N/n1c(S)nnc1CCc1cccc2ccccc12 1874567765 PLCULHAUXJTWGZ-NLRVBDNBSA-N 430.577 5.566 30 10 IKEE O=C(/C=C/c1ccccc1OCc1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])cc1 1874575456 OGLQZZDZQOUFAR-JLHYYAGUSA-N 428.271 6.377 30 10 IKEE O=C(COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(Cl)cc1)Nc1nccs1 1874577566 UTUFPMOLASHCCG-ZHACJKMWSA-N 448.931 5.863 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C)cc2C)c1OCC(=O)Nc1cccc(C)c1C 1874579005 RQWNZHBFOWLVEW-FYWRMAATSA-N 443.543 5.842 30 10 IKEE Cc1ccc(C(=O)/C=C/c2c(OCc3c(F)cccc3Cl)ccc3ccccc23)cc1 1874579608 XPBOPMXPSMAPFS-CCEZHUSRSA-N 430.906 7.416 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC)c2Br)c(OCC)c1 1874600285 DPCMBBSKVDSBAN-YRNVUSSQSA-N 435.314 5.160 30 10 IKEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(-c4ccccc4)cc3)cc2)o1 1874601385 IWAVOHJBAAPYPC-RQZCQDPDSA-N 438.479 6.208 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCCc3ccccc3)c(Br)c2)cc1 1874609494 URBKVCNSJAMOIM-NTUHNPAUSA-N 437.333 5.975 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OCC(=O)Nc2ccc(C)cc2C)cc1 1874629865 YZSLJDDIAMIRKY-UKTHLTGXSA-N 443.543 5.842 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc(-c4ccccc4)cc3)c2)c1 1874703592 XBTPPULMJLBXHW-QGOAFFKASA-N 432.519 7.086 30 10 IKEE CCOc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3cc(C)c(OC)cc3C)c2)cc1 1874717789 LCMGMKQSICJAFJ-NTEUORMPSA-N 430.500 5.826 30 10 IKEE CCCCCCCCC(=O)Oc1cccc(C(=O)CCN(CCO)Cc2ccccc2)c1 1874736942 CAKBBVMDSFOBFM-UHFFFAOYSA-N 439.596 5.410 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Br)c(OC(=O)C(C)C)c(OC)c2)cc1 1875102928 HJJDYWTVYYEANB-DHZHZOJOSA-N 431.326 5.478 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(OC)c1OC(=O)c1cccs1 1875112016 VRHQLMINEVJUPD-MDZDMXLPSA-N 428.893 5.534 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)c1cccs1 1875122070 QFYJTYIRZZODSK-ZHACJKMWSA-N 438.932 6.254 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)Cc1ccccc1 1875125596 QRPCCQHTJRHXGO-XNTDXEJSSA-N 446.930 6.121 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1Cl 1875128210 SIUNOWYYKRLNKW-WYMLVPIESA-N 436.891 5.619 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc(Cl)c1OC(=O)C(C)C 1875133028 ZYUCUJNFDQEQLZ-VMPITWQZSA-N 441.738 6.503 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)c1ccc(F)cc1 1875139203 XHWIFIYUSRICON-IZZDOVSWSA-N 438.882 6.220 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)CCOc3ccccc3)c([N+](=O)[O-])c2)ccc1F 1875141796 VSLBANRSWPKCHB-YRNVUSSQSA-N 449.434 5.313 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc(Cl)c1OC(=O)C1CC1 1875180585 ZSYYLPOKFMJLAT-VMPITWQZSA-N 449.330 5.921 30 10 IKEE C#CCCCCC[C@@H](N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875646724 PKLCRBNKRNDCGK-UHSQPCAPSA-N 443.587 5.789 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1(C)C 1932940075 JQYUSOUTFWOUSO-DEOSSOPVSA-N 429.561 5.105 30 10 IKEE C[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1938773625 VMCYBDOUQCSDNS-OYHNWAKOSA-N 435.952 5.373 30 10 IKEE CCCCCCC[C@H](CCCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 1951577691 RJJFVZCIUKOORU-HXUWFJFHSA-N 437.580 6.509 30 10 IKEE CC1(C)CC[C@@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)[C@H](OCc2ccccc2)C1 1998838209 AQQGZVGJFIGLEW-GCJKJVERSA-N 440.506 5.844 30 10 IKEE CCCCCC#CC[C@@H](N)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2024369791 JHMWOHAFFHIKNL-BVAGGSTKSA-N 428.617 5.132 30 10 IKEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@@H](C#N)c1ccc(Br)c(Cl)c1F 2036848508 AKDHYWSSIJDTHT-JTQLQIEISA-N 445.638 5.606 30 10 IKEE CC(C)(C)OC(=O)N1CCC(C#N)(Cc2ccc(Cl)c(Br)c2F)CC1 2047953795 JLTSMUCHOBQWBI-UHFFFAOYSA-N 431.733 5.325 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(C(C)(C)C)CCN(C(=O)OC(C)(C)C)C1 2058042385 FJYHSXSLNMTBCX-WNCULLNHSA-N 444.660 5.801 30 10 IKEE Cc1ccc([C@@H](C(C)C)n2nc(C(C)(C)C)c(C#N)c2I)c(C)c1 2079071662 QGPSYQHEFRBYGS-QGZVFWFLSA-N 435.353 5.519 30 10 IKEE CC[C@@](C#N)(CCC(F)(F)F)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2087991683 LXOOAVGDQMWINV-KRWDZBQOSA-N 435.284 6.205 30 10 IKEE N#Cc1ccc(Br)cc1NCc1cccc(Br)c1Br 2092334762 WWFXGIPOXDTARL-UHFFFAOYSA-N 444.952 5.458 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCCC[C@H]1C(F)(F)F 2144653924 JPOPDOBIFXTCHP-QAPCUYQASA-N 447.295 6.205 30 10 IKEE CC(C)(C)OC(=O)N1Cc2ccccc2CN1c1cc(Br)c(C#N)cc1F 2174767857 OSWGWJJACKIMKW-UHFFFAOYSA-N 432.293 5.132 30 10 IKEE C[C@H](c1cscc1Br)N(C)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2186595095 NGBYYQFIQSSCGH-CQSZACIVSA-N 436.224 5.003 30 10 IKEE C=CCCCCC[C@H](N)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229138808 SQWHFEDYHGRAAA-OALUTQOASA-N 425.411 5.349 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(C)c(Br)c(C)c1 2235601024 TVMKUHRTNXMKTD-QUCCMNQESA-N 437.422 5.413 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)C(C)(C)[C@@H](CC)NC(=O)OC(C)(C)C 2235731440 QKSCFPJNVMHCPD-MOPGFXCFSA-N 437.422 5.108 30 10 IKEE C=C(CC)C[C@@H](NCCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237408288 CWHXWXAKRARXAC-UXHICEINSA-N 439.438 5.609 30 10 IKEE C=CCC[C@@H](C)[C@@H](NCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237434022 VVVDPRVVVQDRFO-NSISKUIASA-N 439.438 5.465 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2ccc(Br)cc2C#N)C[C@H]2CCCC[C@H]21 2240971794 GWZSFGRCLRJTNB-DKSSEZFCSA-N 434.378 5.301 30 10 IKEE CC(C)[C@@H](C)N(Cc1ccccc1)C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1Cl 2255545111 KWZGXIZIVTZYQP-GOSISDBHSA-N 441.808 5.326 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(OC)c(Br)s1 2263736303 QCROBGGHDVEIHB-SWLSCSKDSA-N 433.412 5.029 30 10 IKEE C=CCCC1([C@H](N)Cc2ccc(Br)cc2Cl)CN(C(=O)OC(C)(C)C)C1 2266299636 CILHNDUQIXTBJB-QGZVFWFLSA-N 443.813 5.176 30 10 IKEE C=CC[C@]1(COc2ncc(Br)cc2Cl)CCCN(C(=O)OC(C)(C)C)C1 2272147532 DTEURZLRMRGLFT-IBGZPJMESA-N 445.785 5.470 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Br)cc(C(C)C)c1 2280721145 XNBXUBAUVXFCHX-UXHICEINSA-N 437.422 5.530 30 10 IKEE CCC[C@@H](CCNC(=O)OC(C)(C)C)CC[C@@H](N)C#Cc1cccc(Br)c1 2296279046 KRTRHAXCOCKMIR-YLJYHZDGSA-N 437.422 5.239 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@](C)(CC(C)C)NC(=O)OC(C)(C)C 2296294505 VBSWHTGRXQDQNK-UGKGYDQZSA-N 437.422 5.108 30 10 IKEE C=C1C(=CC=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@@H](C)C=C[C@@H](C)C(C)(C)O)C[C@@H](O)C[C@@H]1O 2296604843 ZGLHBRQAEXKACO-PKSZLATDSA-N 428.657 5.727 30 10 IKEE CN[C@@H](C#CC1(OC)CCCCC1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2300846706 KSERETQIRMZJBA-HSZRJFAPSA-N 428.617 5.145 30 10 IKEE O=C1C(=Cc2ccc([N+](=O)[O-])cc2)Oc2cc(OCc3ccc(Cl)cc3Cl)ccc21 2314437406 LNTSNVFGONHARY-UHFFFAOYSA-N 442.254 6.097 30 10 IKEE O=C1NC(=Nc2ccc(O)cc2)C(=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)S1 2314482920 ZLFMYKBXVNQWJL-UHFFFAOYSA-N 430.407 6.199 30 10 IKEE CN1C(=O)C(=Cc2ccc(-c3ccc(Br)cc3)o2)SC1=Nc1ccccn1 2314540891 AUGQDERFFMFTDD-UHFFFAOYSA-N 440.322 5.338 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(C)n1N=Cc1ccc(C(C)(C)C)cc1 2321088436 DZMKUCCWLMVNSV-UHFFFAOYSA-N 435.597 5.059 30 10 IKEE COc1cc(C=NNc2ccc(Br)cc2)ccc1OCc1ccc(C)cc1 2321718008 HPKBIGWALQBFAW-UHFFFAOYSA-N 425.326 5.791 30 10 IKEE COc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(Cc1ccccc1Cl)C3 2321958407 QUYQOJHHJUGIEK-UHFFFAOYSA-N 447.918 5.625 30 10 IKEE Sc1nnc(CC2CCCCC2)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2321958536 ISKKEFLLJUJVGN-UHFFFAOYSA-N 441.000 5.804 30 10 IKEE Cc1cc(OCCCc2nnc(S)n2N=Cc2ccc(Cl)cc2)cc(C)c1Cl 2322286390 YTUYJWCPBZKXEI-UHFFFAOYSA-N 435.380 5.384 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCCc1ccccc1)c1ccc(-c2ccccc2)cc1 2322305536 QMLNMKCGLUCXFV-UHFFFAOYSA-N 438.954 7.525 30 10 IKEE O=C(COc1ccc2ccccc2c1C=CC(=O)c1ccc(Cl)cc1)NC1CCCCC1 2322528510 XLBYSBOCUXESFT-UHFFFAOYSA-N 447.962 6.217 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccccc1OCC(=O)Nc1ccccc1C 2323022270 LWQIWJQSPKKHQV-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE Cc1cc(OC(=O)c2ccc(F)c(F)c2F)cc2c1C(=O)C(=CC=Cc1ccccc1)O2 2323127510 WOGQUSQVTKWARS-UHFFFAOYSA-N 436.385 5.804 30 10 IKEE Cc1ccc(NC(=O)COc2cccc(C=CC(=O)c3cc(C(C)(C)C)ccc3C)c2)cc1 2323303874 WSVHEALRROBDIJ-UHFFFAOYSA-N 441.571 6.515 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(OC(=O)COc3ccc(Cl)cc3)c2C)C1=O 2323536411 TYHJHEUMFRWWOK-UHFFFAOYSA-N 440.904 5.619 30 10 IKEE CCOc1cc(C=Nn2c(Cc3ccccc3)nnc2SC)cc(Cl)c1OC(C)C 2323581456 HHOGZSUMIUICTQ-UHFFFAOYSA-N 444.988 5.312 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2)c([N+](=O)[O-])c1)c1cccc(Br)c1 2323656518 ODZCAKHTFKMYMS-UHFFFAOYSA-N 438.277 5.832 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3C)c(Br)c2)c(C)c1 2323858039 VNRZLSHZMIHPEO-UHFFFAOYSA-N 435.361 6.849 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OCCc3ccccc3)c(Br)c2)c1 2323944004 RKXYZPSRBIMJPI-UHFFFAOYSA-N 435.361 6.584 30 10 IKEE Cc1cccc(COc2ccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)cc2[N+](=O)[O-])c1 2324349218 NZHIIXRDUMZKJN-UHFFFAOYSA-N 429.516 6.612 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(OC)cc3OC)n2)cc1 2324404422 XRFONCLEZQKAFO-JOCHJYFZSA-N 446.572 6.060 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4cccc(Cl)c4C)ccc3C2=O)cc1 2324430328 SKFYWJQVSVLCSW-KRWDZBQOSA-N 447.918 5.979 30 10 IKEE CCc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccc(OC)cc4)ccc3C2=O)cc1 2324451531 VWGSBEAMSWPCBP-KRWDZBQOSA-N 443.499 5.280 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OCc3cccc(C)c3)c(OC)c2)c(OC)c1 2324471101 UZKXDQDUWSXPKS-UHFFFAOYSA-N 448.515 5.505 30 10 IKEE COc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1ccccc1C)C2=O 2324472505 PTZUUGLPIBRXQD-KRWDZBQOSA-N 429.472 5.026 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(O[C@H](C)C(=O)Nc4cccc(C)c4C)c3C)C2=O)o1 2324506121 UQFGIKCFFCUIDT-GOSISDBHSA-N 431.488 5.535 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc(OC)c1OCC(=O)OC 2324585210 XKLQCDDEERXSRS-UHFFFAOYSA-N 436.548 5.478 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OCC(=O)Nc2c(C)cccc2C)cc1 2324693862 OBPRSOCDAUVXAN-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE Cc1cccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccc(C#N)cc4)cc(C)c3C2=O)c1 2325306829 VXVCVCSTCHNRJG-SFHVURJKSA-N 438.483 5.197 30 10 IKEE COc1ccc(C)cc1NC(=O)CCOc1ccc2c(c1C)OC(=Cc1cccs1)C2=O 2325471430 WAFLTFKUVXBXTI-UHFFFAOYSA-N 449.528 5.397 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1cccs1 2325535527 RVZUZNDQHUPHBL-UHFFFAOYSA-N 425.410 6.164 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccccc1OC 2325571869 JVYIEPHRUMQOPS-UHFFFAOYSA-N 435.380 5.721 30 10 IKEE Cc1ccc(CSc2nncn2N=Cc2ccc(OCCCc3ccccc3)cc2)cc1 2326287209 JBHREGLGVZMMFJ-UHFFFAOYSA-N 442.588 5.773 30 10 IKEE Clc1ccc(C=Nn2c(CCOc3ccccc3)nnc2SCc2ccccc2)cc1 2329210028 YXLVSKKCTXRCOE-UHFFFAOYSA-N 448.979 5.728 30 10 IKEE Cc1ccc(CSc2nnc([C@H](C)c3ccccc3)n2N=Cc2ccccc2Cl)cc1 2330051100 GKRDIPUPPGXFDO-LJQANCHMSA-N 447.007 6.566 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2N=Cc2cc(C)ccc2O)cc1 2330156136 CKPCDTSMUWSULC-UHFFFAOYSA-N 442.588 5.560 30 10 IKEE Oc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccccc2Cl)cc1 2330275996 QUMIOQMYVASSJO-UHFFFAOYSA-N 441.000 5.934 30 10 IKEE CC(C)c1ccc(C=Nn2c(Cc3cccs3)nnc2SCc2ccccc2)cc1 2330390692 VANJMGRDSAPXAA-UHFFFAOYSA-N 432.618 6.228 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccccc3C)nnc2-c2ccccc2)c1OC 2330635017 QOHVXZLLDRZLKC-UHFFFAOYSA-N 444.560 5.445 30 10 IKEE Fc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2-c2ccccc2)cc1 2330683651 FYBCHQFFYGNSOH-UHFFFAOYSA-N 438.531 6.412 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(OC)c3)cc2)cc1 2330707470 BAAGMQFLDLIWAQ-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(OC)c(C)c2)cc1OCC 2330871790 MBJZWSCFIXXSSH-UHFFFAOYSA-N 430.928 6.047 30 10 IKEE Clc1cccc(C=Nn2c(SCc3ccccc3Cl)nnc2[C@@H]2CCCO2)c1 2330965813 QUTYSHRENJHJJD-SFHVURJKSA-N 433.364 5.611 30 10 IKEE CN(C)c1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3F)cc2Cl)cc1 2331090918 XVAGQIKJAHRWLL-UHFFFAOYSA-N 441.861 5.800 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(CC)cc3)c(OC)c2)cc1 2331312033 XNQDGFKHUNIUOQ-UHFFFAOYSA-N 444.527 6.162 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2cc(C)cc(C)c2)c(Cl)c1 2331358980 MFMWGKUSOUBFHM-UHFFFAOYSA-N 434.919 6.389 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 2331376679 HGMYKOYTOZEPHH-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)C3CC3)c(Br)c2)cc1 2331416507 GBNSSOOAAHPGLZ-UHFFFAOYSA-N 427.338 5.958 30 10 IKEE CC(C)Cc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccccc1F 2331464074 WMYDZTFZBLVQHM-UHFFFAOYSA-N 437.371 6.097 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)cc2)cc1 2331643595 GPZKJJVPCVKCEW-UHFFFAOYSA-N 428.528 5.973 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CC3CCCCC3)c(Cl)c2)c(OC)c1 2331717656 ZWTVVIDRMVZSBW-UHFFFAOYSA-N 442.939 6.129 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)c(C)c1 2331764112 AGXLOKOOGPQOIZ-UHFFFAOYSA-N 449.890 6.289 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCSC)c([N+](=O)[O-])c2)cc1Cl 2331833646 NCYXQUOUHRBPKU-UHFFFAOYSA-N 449.912 5.202 30 10 IKEE CC(C)(C)OC(=O)N1[C@@H](CNc2ccc(C#N)cc2Br)C[C@H]2CCCC[C@H]21 2358977002 JCOAXYAIIWYEEA-GPMSIDNRSA-N 434.378 5.301 30 10 IKEE C=CCC[C@H](C)[C@H](NCCC)[C@H](O)c1sc(Cl)cc1I 2366650609 PFEURTKBEMBJAF-BPNCWPANSA-N 427.779 5.010 30 10 IKEE C=CCCCCCCC[C@H](NCC)c1sc(Cl)cc1I 2366652591 KOFDRTAHJRZSCU-AWEZNQCLSA-N 425.807 6.573 30 10 IKEE Cc1cc(COc2ccc(Cl)cc2Br)ccc1B1OC(C)(C)C(C)(C)O1 2369683530 BSEOLRJQHOTYJB-UHFFFAOYSA-N 437.570 5.289 30 10 IKEE C=CCc1ccccc1OCC(=O)Nc1nc(-c2ccc(Br)cc2)cs1 2610004 FWHQYTXVPKBDDZ-UHFFFAOYSA-N 429.339 5.319 30 10 IKEE COc1cccc(/C=C2/N=C(SCc3ccccc3)SC2=O)c1OCc1ccccc1 2822388 LLJSAXOVIAHFHT-RCCKNPSSSA-N 447.581 6.178 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(Cl)cc2)cc1 5926554 PJIPEHRQFPJGGO-FQEVSTJZSA-N 439.920 5.583 30 10 IKEE CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2sc(C)c(C)c2C#N)cc1 9297814 PIRWXKYUSBHKQV-UHFFFAOYSA-N 447.626 5.080 30 10 IKEE C=C(C)COc1ccc(NC(=O)c2ccc(OCCCCCC)c(Br)c2)cc1 9813683 LTOASKOTZOXDOF-UHFFFAOYSA-N 446.385 6.615 30 10 IKEE C=CCN1C(=O)[C@@H](CC(=O)c2ccc3c(c2)CCCC3)S/C1=N\c1ccc(Cl)cc1 15055368 JGFIFAIDXQQORY-AHSYQONNSA-N 438.980 5.609 30 10 IKEE COc1cccc(/C=C2\S/C(=N/c3ccc4ccccc4c3)N(C3CCCCC3)C2=O)c1 17445284 PTZPIXCZGJHVMI-RIOWCJPESA-N 442.584 6.785 30 10 IKEE C=CCn1c(CNc2ccccc2)nnc1SCc1nnc(-c2ccc(Cl)cc2)o1 20831170 KKIDSONKSOCHBJ-UHFFFAOYSA-N 438.944 5.072 30 10 IKEE COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccccc1[N+](=O)[O-] 21259146 ZFDTZPJYDJAGJM-QMTYFTJSSA-N 441.487 5.583 30 10 IKEE CCCCCCn1c(O)c(C(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c(C)c(C#N)c1=O 38627335 RBOMFVOOLQOSKT-IBGZPJMESA-N 438.568 5.396 30 10 IKEE C=C(C)COc1ccc2c(=O)c(Oc3ccc(C(=O)OCC)cc3)c(C(F)(F)F)oc2c1 41431748 QSOSZONDVPLPGX-UHFFFAOYSA-N 448.393 5.736 30 10 IKEE COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OCc3ccc(C)cc3)cc(C)c2C1=O 41433357 KQENZILFXGAIAW-ROTLSHHCSA-N 446.499 5.524 30 10 IKEE Cc1c(OC/C=C/c2ccccc2)ccc2c1O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 41436278 ZWFKZLKNZSJLIK-WCZPKICSSA-N 444.530 7.370 30 10 IKEE COc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN([C@H](C)c2ccccc2)C4)cc1 41646662 WSEFSVDOYUZZNY-YNJLWJOVSA-N 427.500 5.533 30 10 IKEE O=C1/C(=C/C=C/c2ccccc2)S/C(=N/N=C\c2ccccc2O)N1Cc1ccco1 47138139 WFGQLJVTJNJWQU-CPHYENHWSA-N 429.501 5.048 30 10 IKEE CCn1nccc1C(=O)/C=C\c1ccc(OC)c(COc2ccc(Br)cc2)c1 96576918 PLIDPALTLPQGIO-WMZJFQQLSA-N 441.325 5.149 30 10 IKEE COc1cc(C(=O)/C=C\c2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)cc(OC)c1OC 97993051 LSWQYZBNXYWGQI-QBFSEMIESA-N 448.475 5.285 30 10 IKEE CCCCCCCCCCCC(=O)Oc1ccc(C2CCC(CCCCC)CC2)cc1 97997008 FRFLLLHKXZHUFP-UHFFFAOYSA-N 428.701 9.367 30 10 IKEE biogenic CCCCCCCOc1ccc([C-]2C=C(OCC)c3c(C)oc(C)c3C(OCC)=C2)cc1 98000447 RGGSZPZVMDQQSH-UHFFFAOYSA-N 437.600 7.637 30 10 IKEE O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1ccc(Cl)c(Cl)c1)c1c(O)n[nH]c1N2 98036610 QEYTXOORWHXMGP-QLJPJBMISA-N 432.332 5.442 30 10 IKEE CCCCCCCOc1ccc2ccccc2c1[C@H]1Nc2ccccc2C(=O)N1C(C)C 100134414 BGSYVXUZXDFYGM-MHZLTWQESA-N 430.592 7.164 30 10 IKEE CCCCCCCOc1cccc(NC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 100279471 QPBWPKQUYBCXMK-BUHFOSPRSA-N 441.553 5.470 30 10 IKEE COc1cc(/C=C2/S/C(=N/c3ccccc3)N(c3ccccc3)C2=O)ccc1OCC#N 102120543 VRTXUZWVUALUEM-KEAZEDSHSA-N 441.512 5.406 30 10 IKEE CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(C(=O)OCC#N)c2)o1 103815638 BJNJHAPEWFDBJL-XMHGGMMESA-N 445.862 5.086 30 10 IKEE CCCCOc1ccc(/C=N/NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1OCC 169902151 SUZCXUTUHGDMGJ-KOEQRZSOSA-N 446.613 5.183 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C)cc2C)cc1 169925763 CJLCGIZXFBSOJE-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccccc2OC)cc1 169944102 LWZGJZZSMWJNMC-RUZDIDTESA-N 441.527 5.657 30 10 IKEE CCCCCCCCCCN1C(=O)C(SCc2ccccc2)=C(c2ccccc2)C1=O 170041357 RRISWGIBLBWAQZ-UHFFFAOYSA-N 435.633 6.841 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2ccccc2)c1 170051912 KETFRDIIGUUTQO-QHCPKHFHSA-N 431.919 6.048 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(Cl)cc1)c1ccc2c(c1)CCO2 170059907 BZHDMQLICBGCQT-JOCHJYFZSA-N 437.923 5.186 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccccc2OC)=C(N2CCc3ccccc3C2)C1=O 170060069 KWOITGUSMATZDT-UHFFFAOYSA-N 446.591 5.194 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(F)ccc3OC)[C@@H]2c2ccc(F)cc2)cc1 170061938 VHSUYDCBMSHWBP-QHCPKHFHSA-N 449.453 5.319 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccc(F)cc2)cc1 170061961 DFXUADWMVBRMCM-HSZRJFAPSA-N 442.446 5.099 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccccc2F)cc1 170070809 DOSMWOUBSLSMKT-JOCHJYFZSA-N 435.882 5.824 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cc(C)c(OC)cc3C)=C(O)C(=O)N2c2ccccc2)c1 170118203 CFGLGMHTYXZDEK-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1cccs1 170159317 ZQHUXBGMYPVYNR-QFIPXVFZSA-N 431.557 6.137 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccccn2)ccc1Cl 170171898 MCAFPSMSEWLOEQ-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cccnc1 170194057 YYTWIANXRPKETE-HSZRJFAPSA-N 448.563 5.299 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1ccncc1 170200998 IBDYJSXLVZLMST-OAQYLSRUSA-N 448.906 5.143 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@@H]1c1ccc(OCC)cc1 170213871 XNOVBUZDYJTNON-QHCPKHFHSA-N 437.536 5.108 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)c(Cl)cc2OC)[C@@H]1c1ccccc1 170232935 RNVGGBQFZFZJQQ-NRFANRHFSA-N 443.927 5.126 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(F)cc2)cc1C 170238353 IYIIHXMYXSJBBP-HSZRJFAPSA-N 449.453 5.455 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(F)cc1)c1cc2cc(Cl)ccc2o1 170244280 ILZAOGCUUBLODA-NRFANRHFSA-N 439.870 5.746 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccccc1F)c1ccc2ccccc2c1 170250610 QUTUVRMYVNBMLA-QHCPKHFHSA-N 427.431 5.350 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2C)cc1C 170278525 NZOHWAMYYCVRCP-DEOSSOPVSA-N 433.548 5.613 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccco1 170280059 RGTVDQGBDMZXRB-DEOSSOPVSA-N 439.467 5.220 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC(C)C)cc3)[C@H]2c2ccco2)cc1C 170285017 CLYKRQAXLSNMKU-XMMPIXPASA-N 445.515 5.714 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccco2)cc1C 170287043 HGRBLBLAACCHFO-NRFANRHFSA-N 437.879 5.423 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@@H]1c1ccco1 170290010 ZVNXPPDBIWZYEF-QHCPKHFHSA-N 431.488 5.406 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccco2)cc1 170290519 CVVAHHAFHXRZRY-OAQYLSRUSA-N 439.414 5.128 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccco2)cc1 170296779 RJSPKPXDSIYJKE-HSZRJFAPSA-N 449.478 5.029 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cc(C)ccc2C)[C@@H]1c1ccco1 170297009 JLFVWENWGOQECH-HSZRJFAPSA-N 445.515 5.300 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccc(C)o2)c1 170299939 GDUXKTGZVNTQFI-DEOSSOPVSA-N 445.515 5.775 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2sccc2C)c1 170315404 UCZAIGHBYYQRJF-QFIPXVFZSA-N 447.556 5.937 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(OC(C)C)cc2)c1 170331884 CLEVORDIEUWHHL-JOCHJYFZSA-N 449.528 5.327 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)c1 170466679 GDNVHOYATBJLOE-XMMPIXPASA-N 435.564 5.898 30 10 IKEE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1cc(Cl)ccc1C 252629366 UELOCFQDPDIFTQ-LJQANCHMSA-N 427.957 5.103 30 10 IKEE CC(C)(C)c1cc(C=Nn2cnc3sc4c(c3c2=O)CCCC4)cc(C(C)(C)C)c1O 254497581 KTZKVPDRQPXAFF-UHFFFAOYSA-N 437.609 5.520 30 10 IKEE CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4CC(=O)/C(=C\O)C[C@]4(C)[C@@H]3CC[C@]21C 254522193 UXGWFWJQNSRBBQ-UKBXLLLRSA-N 426.685 7.895 30 10 IKEE COc1ccc(N=C2[C@H](N3CCCC3)C3(CCCCC3)C(=O)N2c2ccc(C)cc2)cc1 254742401 YCXREHIUXQNIAX-DEOSSOPVSA-N 431.580 5.495 30 10 IKEE Cc1ccc(C)c(N=c2scc(-c3ccc(C)c(C)c3)n2N=Cc2ccc(O)cc2O)c1 254789961 FJPGFJCPTUWJRK-UHFFFAOYSA-N 443.572 5.976 30 10 IKEE CCCCCCCCCCCCCC[C@@H](C=O)/C(=N/N)c1ccc(OCC(=O)O)cc1 514277619 LTWGCYLILWPUPW-GOTSBPSXSA-N 432.605 5.719 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2sccc2C)cc1 526487285 WSMQVPCLXJXXAQ-QFIPXVFZSA-N 430.529 5.774 30 10 IKEE CCCCCOc1ccc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526605442 BXYAXVRQVXAZLP-XMMPIXPASA-N 444.556 6.246 30 10 IKEE N#Cc1cccc(NC2=C(Sc3ccccc3)C(=O)N(c3cccc(Cl)c3)C2=O)c1 526657552 GENSZBJYDZPCPJ-UHFFFAOYSA-N 431.904 5.201 30 10 IKEE C[C@H]1C[C@@H](C)CN(C(=O)Nc2cccc(C(=O)Nc3scc(C(C)(C)C)c3C#N)c2)C1 586681268 HNICKXMWCKKVDQ-IYBDPMFKSA-N 438.597 5.679 30 10 IKEE CCOc1ccc(-n2c(C)cc(C=NN=C(C(=O)c3ccccc3)c3ccccc3)c2C)cc1 606346927 KIXKCHBZMBTYKE-UHFFFAOYSA-N 449.554 6.199 30 10 IKEE C=C(Cl)C[C@@H](NCCC)c1ccc(I)c(Br)c1 721617792 YOHOALDPHCERHG-CYBMUJFWSA-N 428.539 5.237 30 10 IKEE C=CCC1([C@H](NCCC)c2sccc2Br)CN(C(=O)OC(C)(C)C)C1 722937740 JVXQMZMURYEPJE-MRXNPFEDSA-N 429.424 5.365 30 10 IKEE O=C1/C(=C\c2ccccc2)SC(=Nc2ccc(Cl)cc2)N1c1ccc(Cl)cc1 1084307893 DVQCBBLRVBYYFY-ONWPUYBOSA-N 425.340 6.802 30 10 IKEE Clc1ccc(CSc2n[nH]c(NN=Cc3ccc(OCc4ccccc4)cc3)n2)cc1 1084473522 JNVHQNLIAYRBFB-UHFFFAOYSA-N 449.967 5.775 30 10 IKEE CCCCCCCCCCn1cc(O[C@@H](C)C(=O)Nc2ccccc2)c(=O)cc1C(=O)O 1857890866 HFNZNNXQYAPUPN-IBGZPJMESA-N 442.556 5.093 30 10 IKEE CCCCCCCCNC(=O)[C@H](C)NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1861717535 DOEVKTDDOHDQAN-ZDUSSCGKSA-N 440.428 5.319 30 10 IKEE N#Cc1cccc(NC(=O)c2cc(CCc3ccccc3)n(Cc3ccccc3Cl)n2)c1 1862326098 MMLGBRUMZRLJFP-UHFFFAOYSA-N 440.934 5.494 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C2CCCCC2)c1 1862379688 IJIMKUFEGJVRTI-NRFANRHFSA-N 444.358 6.213 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(C)cc1 1862400954 QIQFKTKNLOEWDJ-DHLKQENFSA-N 449.591 6.249 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc3cc[nH]c3c2)c1 1862491309 PRTJJYFCEAYFPJ-MQVPCNEGSA-N 442.559 5.942 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccccc2C)cc1 1862507675 QOBVGFDVGLZIBA-XMMPIXPASA-N 429.491 5.529 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 1862518956 XWUUBCNTCQRJNS-HSZRJFAPSA-N 435.564 5.760 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 1862666990 PWWUJGXCXUENIC-SBUREZEXSA-N 435.564 5.067 30 10 IKEE N#Cc1ccc(N2C(=O)C(Nc3cccc(Cl)c3)=C(c3cccc4ccccc34)C2=O)cc1 1862849538 SNOHFQRNATVNAS-UHFFFAOYSA-N 449.897 5.761 30 10 IKEE CCCC[C@H](NC(=O)C[C@@H](c1ccc(F)c(C)c1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866763543 CNVIOPMNUYTUDD-VWNXMTODSA-N 437.559 5.449 30 10 IKEE CCCCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CSc1ncccn1 1870165228 DDAWVIHLUJNWJD-UHFFFAOYSA-N 443.657 6.416 30 10 IKEE CCCCCCCCCCn1cc(OCCO)c(=O)cc1CNc1cc(C)cc(C)c1 1870791324 PSBLFJWZZGJXJU-UHFFFAOYSA-N 428.617 5.589 30 10 IKEE C#CCOc1cn(CCc2ccc(C)cc2)c(CNc2cccc(C(C)(C)C)c2)cc1=O 1871004740 VAGHNEHBMDPZMJ-UHFFFAOYSA-N 428.576 5.321 30 10 IKEE C=CCn1cc(OCc2ccccc2Cl)c(=O)cc1CNc1ccc(C)c(Cl)c1 1871241935 HLSTTWCAFWEYNT-UHFFFAOYSA-N 429.347 5.841 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OC(=O)c3c(F)cccc3Cl)ccc2C1=O 1871375462 MPLOSDSWAAVSHV-MTJSOVHGSA-N 438.838 5.713 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)Cc4cccc5ccccc45)cc(C)c3C2=O)cc1 1871376395 IUTIVLFYMBCHSB-YSMPRRRNSA-N 434.491 6.221 30 10 IKEE CN(C)c1ccc(/C=C2\Oc3cc(OC(=O)/C(Cl)=C/c4ccccc4)ccc3C2=O)cc1 1871377240 BKYZWOJWFCOKAV-FHVZNZBFSA-N 445.902 5.554 30 10 IKEE COc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O 1871410383 ZMYHRTUJPSPJLF-HQXWYHRWSA-N 449.890 5.371 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OCc4ccc(C(=O)OC(C)C)cc4)c3C)C2=O)c1 1871415172 VEBGRZOPTFMQMI-MYYYXRDXSA-N 442.511 6.064 30 10 IKEE CCCCCCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O 1871421429 DKPLPUJRTRWCGD-BKUYFWCQSA-N 428.912 5.767 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccc(C)o2)C3=O)c(Cl)c1 1871436300 UHRVGBMJBKUYDJ-NHDPSOOVSA-N 437.879 5.492 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCc4ccc(C(=O)OC(C)C)o4)ccc3C2=O)cc1 1871438727 OQUSFJYVANWEOC-FMCGGJTJSA-N 434.444 5.049 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(F)cc2)cc2c1C(=O)/C(=C/c1ccccc1Cl)O2 1871456658 PGNFSTFYPJXEHT-NHDPSOOVSA-N 437.854 5.421 30 10 IKEE Cc1cc(C)c(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2sccc2C)C3=O)c(C)c1 1871459094 POPDXOXYTOOMKU-MTJSOVHGSA-N 447.556 5.924 30 10 IKEE CCc1ccccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccccc1C)C2=O 1871459690 XVLYAOGACBJMFW-OYKKKHCWSA-N 427.500 5.500 30 10 IKEE Cc1cc(OCC(=O)Nc2ccccc2F)cc2c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O2 1871459917 KWYSBFASMBNETC-CFRMEGHHSA-N 445.490 5.891 30 10 IKEE C=CCN([C@H](CC)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1871839852 IGGXMRBYJCZMSU-HSZRJFAPSA-N 442.625 5.329 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)c(C)c1)C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1871886591 ZNVRKAYCQVRWPF-QFIPXVFZSA-N 449.016 5.187 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cccc(Cl)c1)[C@@H](C)CC)S(=O)(=O)c1cccs1 1872249283 WTLOMCRDYJMMGS-KXBFYZLASA-N 441.018 5.022 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(C)c(C)c1 1872527601 GFUAPLGJRLJXQE-XMMPIXPASA-N 442.625 5.294 30 10 IKEE Cc1ccc(C)c(OCC(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)c1C 1872760536 QTJRUZZLZMMNJL-QFIPXVFZSA-N 430.573 5.869 30 10 IKEE COc1cccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccc4ccccc4c3)n2)c1 1872762709 USTWSGUNPAONLX-QHCPKHFHSA-N 442.540 6.007 30 10 IKEE N#C[C@H](C(=O)CCOc1ccccc1)c1nc(-c2ccc(Br)cc2)cs1 1872764574 QRMKNOLUTLOULL-QGZVFWFLSA-N 427.323 5.218 30 10 IKEE CC(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1 1872768745 BECQQERLJWGBLR-OAHLLOKOSA-N 430.316 5.565 30 10 IKEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1 1872770499 WNLHMJNPXBJMKQ-CJNGLKHVSA-N 431.344 6.069 30 10 IKEE CCCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3cccs3)cs2)cc1OCC 1872773910 BETUAOFUKDAQEK-MRXNPFEDSA-N 426.563 5.939 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)C23CC4CC(CC(C4)C2)C3)n1 1872777132 HCSVOLVMFJOXED-VIGZUVBBSA-N 448.632 6.509 30 10 IKEE COc1ccc(OC)c(/C=C/C(=O)[C@H](C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)c1 1872787151 CDLGQANSTJIYMV-IEJURRBGSA-N 448.544 5.342 30 10 IKEE N#C[C@H](C(=O)c1ccc(F)c(F)c1F)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872788256 YLIZPCCEOFNJOL-LLVKDONJSA-N 427.234 6.024 30 10 IKEE COc1cccc(OC)c1C(=O)[C@@H](C#N)c1nc(-c2ccc(OC)c3ccccc23)cs1 1872788500 JQAQPIZCTIUFOX-GOSISDBHSA-N 444.512 5.479 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2C)C(=O)N(CCc2ccccc2)C1=O 1873102211 IUUVILIOJGRIOS-UHFFFAOYSA-N 446.635 6.048 30 10 IKEE Cc1cccc(N2CC(=O)C(c3nc(-c4ccccc4)c(-c4ccccc4)s3)=C2N)c1C 1873527717 NIMLOUPOTOYYBC-UHFFFAOYSA-N 437.568 5.811 30 10 IKEE COc1ccc2ccccc2c1/C=N/Nc1cnn(-c2ccccc2Cl)c(=O)c1Cl 1873529000 LURLYIZZBQJFOE-BRJLIKDPSA-N 439.302 5.147 30 10 IKEE C=CCn1c(C(=O)N(CCCC)CCCCCC)cc2c(N3CCC(C)CC3)ncnc21 1873561791 YRJDTIDTSWUMMG-UHFFFAOYSA-N 439.648 5.676 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)cc2C)cc2c(NCc3ccccc3C)ncnc21 1873618960 QBRJGVJNRCOZMC-UHFFFAOYSA-N 445.954 5.752 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(OC)cc2)cc2c(NCCC3=CCCCC3)ncnc21 1873639371 OLOMEWYOVQWXRA-UHFFFAOYSA-N 431.540 5.181 30 10 IKEE CCSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1ccccc1Cl 1874206292 UMKLHSYRQXKDHK-LSHDLFTRSA-N 441.771 5.812 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CCCOc2ccc(Cl)cc2)nnc1SC 1874212441 MYLCYYFCVUTCIM-LFVJCYFKSA-N 442.972 5.112 30 10 IKEE C=C(C)CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccc(CC)cc1 1874243494 JGVZJRXEOHYMKM-JVWAILMASA-N 434.653 6.150 30 10 IKEE CCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874245905 CMVUMJGVYDUNJF-NLRVBDNBSA-N 436.625 5.890 30 10 IKEE CSc1nnc(CCCOc2ccccc2C)n1/N=C/c1ccc(C(F)(F)F)cc1 1874247890 BNPKCPMMNXSHOC-AFUMVMLFSA-N 434.487 5.221 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1c(F)cccc1Cl 1874264734 MQFDTDQLKYCKAE-FOKLQQMPSA-N 439.343 5.687 30 10 IKEE C=CCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1cn(C)c2ccccc12 1874279324 FSIKBWIHTQOENS-MFKUBSTISA-N 435.984 5.369 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874317763 JXIDABSCWCILOI-BUVRLJJBSA-N 447.391 5.757 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874379661 FQVHGZVCXVHDAJ-BHGWPJFGSA-N 435.355 5.865 30 10 IKEE Fc1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCCc2ccccc2)cc1 1874380701 GUAJAZBZUBYUPA-WPWMEQJKSA-N 434.515 5.364 30 10 IKEE Cc1ccc(CSc2nnc([C@@H](C)c3ccccc3)n2/N=C/c2ccccc2Cl)cc1 1874392184 GKRDIPUPPGXFDO-FQNOVECQSA-N 447.007 6.566 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2-c2ccccc2)cc1 1874428533 NODJVHINHZYMNP-WGOQTCKBSA-N 432.980 6.335 30 10 IKEE Cc1ccc(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2cccc3ccccc23)cc1 1874441764 IOBDKEOHSQVGFQ-LRULAXNGSA-N 428.561 5.766 30 10 IKEE Cc1ccccc1CSc1nnc(C(C)(C)C)n1/N=C/c1ccc(Cl)c(Cl)c1 1874483326 PZSNSIWSAVUKDM-WYMPLXKRSA-N 433.408 6.365 30 10 IKEE Fc1ccccc1CSc1nnc(C2CCC2)n1/N=C/c1c(Cl)cccc1Cl 1874495803 GLPSVUPBGXYXPT-BHGWPJFGSA-N 435.355 6.166 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C(C)C)c(OC)c1 1874513595 HDDJDRYYPJCWKG-FSJBWODESA-N 430.961 5.247 30 10 IKEE Cc1ccccc1CCc1nnc(S)n1/N=C/c1ccccc1OCc1ccccc1 1874562175 HDWMZWKAECBDHN-YZSQISJMSA-N 428.561 5.122 30 10 IKEE Cc1ccccc1COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(Cl)cc1Cl 1874573661 YXKDSXQKLMUUMG-UXBLZVDNSA-N 431.746 7.430 30 10 IKEE Cc1ccc(C(=O)/C=C/c2c(OCc3ccc(Cl)c(Cl)c3)ccc3ccccc23)cc1 1874579611 XSQJPXIBPCNCRU-WYMLVPIESA-N 447.361 7.930 30 10 IKEE Cc1cc(C(=O)/C=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)ccc1F 1874580402 MGWDAOHNVDSNLO-WYMLVPIESA-N 430.906 7.416 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)NCc2ccccc2)c(C)c1 1874589966 LXRHGWZSIPQPTN-PKNBQFBNSA-N 447.962 5.857 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OCC(=O)Nc1c(C)cccc1C 1874596405 NSTIYDIAOALQKA-GXDHUFHOSA-N 429.516 5.534 30 10 IKEE C=CCOc1c(Br)cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1OC 1874615507 BLBCZCIMFITGQX-QPJJXVBHSA-N 442.136 6.225 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2)c1C 1874622049 JHFJUDVCGLHBAH-WOJGMQOQSA-N 441.571 6.515 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(F)c3)c([N+](=O)[O-])c2)c(OC)c1 1874632818 WHZCGHRFANUGKQ-UXBLZVDNSA-N 437.423 5.226 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2ccc(OCc3ccccc3F)cc2)cc1Cl 1874637408 YLHWHTQGNWAWHF-DHZHZOJOSA-N 431.290 6.616 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)ccc1OCc1cccc(F)c1 1874638932 ZKHLWHHVXDPYAA-JLHYYAGUSA-N 442.486 6.471 30 10 IKEE O=C(CCOc1ccccc1)Oc1cccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c1 1874693258 WASZAHXINSUQDE-XMHGGMMESA-N 448.518 6.624 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3ccccc3OC)c2)cc1 1874695518 GEYZYYYLHHBRFB-OBGWFSINSA-N 444.527 5.918 30 10 IKEE CCc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3c(C)cc(C)cc3C)ccc2OC)cc1 1874716334 NJAGYCFKKJKNRB-UKTHLTGXSA-N 428.528 6.298 30 10 IKEE O=C(Oc1cccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1)c1cccc(Cl)c1 1874718145 BCEZJRUKPWHHQF-JXMROGBWSA-N 431.702 6.762 30 10 IKEE C=CCN(CC=C)CCC(=O)c1ccc(OC(=O)COc2cc(Cl)ccc2Cl)cc1 1874740653 CCYKGZCTAJSWOQ-UHFFFAOYSA-N 448.346 5.225 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1OCC 1875087983 LIKYZSLXQXZRBH-ZHACJKMWSA-N 431.872 5.639 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OC(=O)CC1CCCCC1 1875095169 CDYAYYUZHAJQCA-FOWTUZBSSA-N 442.555 7.010 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc4ccccc4c3)cc2)cc1 1875096386 LONKWQGVVPLZRB-VCHYOVAHSA-N 436.507 6.283 30 10 IKEE COCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1OC 1875097028 RHBSCVYNXIEFQX-JXMROGBWSA-N 428.912 5.065 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(OC)c3)cc2)c1 1875098461 BJMVRCDOPWWTJR-GXDHUFHOSA-N 432.472 5.218 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)cc3)c(OC)c2)cc1OC 1875103886 VEZCOXCLLAGPRH-KPKJPENVSA-N 432.472 5.136 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC(=O)CC(C)C 1875135610 YXCQSUYBZSVBIR-VMPITWQZSA-N 437.319 5.858 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)c1ccccc1F 1875137789 DXXQDJCMBSWDLF-ZHACJKMWSA-N 438.882 6.220 30 10 IKEE Cc1scc(C(=O)N(Cc2ccccc2)Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 1892452511 PJDSBHLDUSFGSH-UHFFFAOYSA-N 447.409 5.198 30 10 IKEE C[C@@H]1[C@@H](C)[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C 1892768365 VQLDEPSOHOABAT-MPCDZSKCSA-N 443.588 5.351 30 10 IKEE C=CCC1([C@H](NCCC)c2cc(Br)cs2)CN(C(=O)OC(C)(C)C)C1 1923047863 UPKRGLPTYREEDW-MRXNPFEDSA-N 429.424 5.365 30 10 IKEE CC1(C)OB([C@@H]2CCCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)OC1(C)C 1933574763 OJXWTLNUKYDYEP-GOSISDBHSA-N 433.357 5.494 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)cc1 1944076882 ZJGWHEUCURGTRC-FQEVSTJZSA-N 429.561 6.168 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)CC1(C)C 1949597272 USPQAAXBQWNAMP-QHCPKHFHSA-N 449.979 5.763 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CC[C@@H]2NC(=O)OCc2ccccc2)cc1 1959030072 JLEZZFOBLBYNDS-SQJMNOBHSA-N 435.524 5.088 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@]1(CCC)CCCCN1C(=O)OC(C)(C)C 2007550997 OFEIEESKNDDWGO-OZXSUGGESA-N 430.633 5.697 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@]1(C#N)CCN(Cc2ccccc2)C(C)(C)C1 2022278361 AKNGOWRWYZAPNX-SANMLTNESA-N 425.617 5.893 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@](C)(C#N)N(C[C@H]2CCCO2)C(=O)OC(C)(C)C)cc1 2027949816 WOFZNVHYGWGZEM-DVECYGJZSA-N 445.560 5.188 30 10 IKEE O=C1NC(=NC2CCCCC2)SC1=Cc1cn(-c2ccccc2)nc1-c1ccccc1 2040448106 ACQSDPMOIXCPFX-UHFFFAOYSA-N 428.561 5.432 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCCC)c2cscc2Br)C1 2062981482 DVBNOIFRFZTIHI-INIZCTEOSA-N 429.424 5.412 30 10 IKEE CC(C)c1nn([C@@H](c2ccc(C(F)(F)F)cc2F)C2CCC2)c(Br)c1C#N 2079878013 HZAJEDRSOKYZLF-QGZVFWFLSA-N 444.270 6.188 30 10 IKEE C[C@@H](c1ccc(C(F)(F)F)cc1F)n1nc(C2(C)CC2)c(C=NO)c1Br 2079946525 XBLLKTDTGQFBGX-VIFPVBQESA-N 434.231 5.272 30 10 IKEE Cc1nn([C@@H](c2ccc(C(F)(F)F)c(F)c2)C2(C)CC2)c(Br)c1C=NO 2079950467 FVNUBYFHGAAROT-AWEZNQCLSA-N 434.231 5.310 30 10 IKEE Cc1cc(C)c([C@H](C2CC2)n2nc(C3(C)CC3)c(C#N)c2I)c(C)c1 2080039618 XNUFFWRONQYBEY-SFHVURJKSA-N 445.348 5.336 30 10 IKEE CCCOc1ccc([C@@H](C(C)C)n2nc(C(F)(F)F)c(C#N)c2Br)cc1 2080078173 PJIILRYHWNTSSQ-OAHLLOKOSA-N 430.268 5.570 30 10 IKEE C=CCCCCCC[C@@H](NCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2085854614 QVVQABBTWUKNJC-SHQCIBLASA-N 443.676 5.661 30 10 IKEE C=CCC[C@H](C)[C@@H](NCCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134733149 CXXPPNWAKBYJKQ-QABMSTFYSA-N 443.631 7.488 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCOCC12CCCC2 2149664831 BDTOBCHOLZZQBY-OAQYLSRUSA-N 435.362 5.434 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)C1(C#N)CCC2(CCCN2)CC1 2167915290 ZFPKALKLUZTIAS-UHFFFAOYSA-N 434.378 5.149 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1CN(c1cc(Br)ccc1C#N)C1CC1 2174810050 HQOJZEOFKVFTLC-SFHVURJKSA-N 434.378 5.079 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCCN1c1cccc(Br)c1C#N 2174813233 TXIFFBRGWGFUMF-OALUTQOASA-N 434.378 5.079 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CC[C@]2(CCCOC2)C1 2185133239 MEQJMKSPZKNLSO-NHCUHLMSSA-N 435.362 5.434 30 10 IKEE O=C(C#Cc1ccccc1)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2191336561 MBPMZOWMOFZXKV-SSEXGKCCSA-N 448.518 5.499 30 10 IKEE CC(C)(C)OC(=O)NCCCc1ccccc1Nc1cccc(Br)c1C#N 2207174819 NALVLORVUOKDQF-UHFFFAOYSA-N 430.346 5.522 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1sc(C)c(Br)c1C 2219016747 FYXAQZDKBGZHPB-HOCLYGCPSA-N 429.424 5.085 30 10 IKEE C=CCCCCCCC[C@H](O)c1cc(I)ccc1Br 2227286212 WYTQVBOQFYFEGX-INIZCTEOSA-N 437.159 6.004 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)cc1C 2229233731 QLSXBKIHAZWLBX-RTBURBONSA-N 425.411 5.658 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCCCN)c1sc(Cl)cc1Br 2252540648 ZLDRCYUSGZBTBC-QGZVFWFLSA-N 430.795 5.344 30 10 IKEE CC[C@H](C)N(Cc1ccccc1)C(=O)c1cc(Cl)c(C)cc1B1OC(C)(C)C(C)(C)O1 2255541966 KZLWGDIZBDITNR-SFHVURJKSA-N 441.808 5.389 30 10 IKEE Cc1sc(C(=O)N(Cc2ccccc2)C2CCCC2)c(C)c1B1OC(C)(C)C(C)(C)O1 2255597526 JOOVKODHTLYXKY-UHFFFAOYSA-N 439.430 5.249 30 10 IKEE Cc1cccc(C(=O)N(Cc2ccccc2)Cc2cccs2)c1B1OC(C)(C)C(C)(C)O1 2267605287 UOFOMIYLDCCHBO-UHFFFAOYSA-N 447.409 5.198 30 10 IKEE C[C@@H](N(Cc1ccccc1)c1ccc([N+](=O)[O-])c(B2OC(C)(C)C(C)(C)O2)c1)C(C)(C)C 2267779314 QYYLGTZRZCACFI-GOSISDBHSA-N 438.377 5.335 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCCCN)c1ccc(Br)c(Cl)c1F 2277211233 TXNZDIKEFLCSPM-FQEVSTJZSA-N 442.756 5.421 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)Nc1ccccc1OCc1ccccc1 2282147805 RYVWDADLXPASEN-UHFFFAOYSA-N 443.352 5.126 30 10 IKEE CC(C)(C)CC1CC([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)C1 2289965415 CPRUSSGUJJDWMP-LADRWXRNSA-N 435.406 6.545 30 10 IKEE C=C(COCc1ccccc1)[C@](C)(OCCC(=O)O)c1cc(F)ccc1Br 2292217279 SRNOBKZYXWSYDL-NRFANRHFSA-N 437.305 5.068 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(Nc2ccccc2Br)C[C@H]1C(F)(F)F 2294738711 PIMHAGIZASZLDQ-YOEHRIQHSA-N 448.283 5.085 30 10 IKEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 2296079560 PBFONPZZAZUSLC-HSZRJFAPSA-N 426.516 5.314 30 10 IKEE O=C1NC(=Nc2cccc(Cl)c2Cl)SC1=Cc1ccc(-c2ccc(Cl)cc2)o1 2313541494 LFVBTYHVGBVYBG-UHFFFAOYSA-N 449.746 6.798 30 10 IKEE C=Cc1ccc(COc2ccc3c(c2)OC(=Cc2cccc(Br)c2)C3=O)cc1 2314437632 RKFOKUSCBQNTRO-UHFFFAOYSA-N 433.301 6.287 30 10 IKEE COc1cc(C=NNc2ccc(Br)cc2)ccc1OCc1ccccc1Cl 2321718060 QUHGUTIGDLCBHS-UHFFFAOYSA-N 445.744 6.136 30 10 IKEE Sc1nnc(C2CCCCC2)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2321889965 MWFOFFIQUNGBFY-UHFFFAOYSA-N 426.973 5.729 30 10 IKEE O=C1C(=Cc2ccc([N+](=O)[O-])cc2)Oc2c1ccc1c2CN(Cc2ccccc2Cl)CO1 2321958437 XVILZUBYEYQYQO-UHFFFAOYSA-N 448.862 5.217 30 10 IKEE O=C1C(=Cc2c(Cl)cccc2Cl)Oc2c1ccc1c2CN(Cc2ccco2)CO1 2321962008 XNKDLSZKWJXXKS-UHFFFAOYSA-N 428.271 5.555 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccccc1Br)O3)CN(C1CCCC1)CO2 2322016200 YTJJRYCCDOZKMT-UHFFFAOYSA-N 440.337 5.468 30 10 IKEE COCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1c(Cl)cccc1Cl)C3=O 2322016598 IWPJHDLTYAFRAP-UHFFFAOYSA-N 434.319 5.106 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)O3)CN(Cc1ccc(F)cc1)CO2 2322052086 BPBRCZIHOMMJHR-UHFFFAOYSA-N 446.434 5.011 30 10 IKEE CCc1ccc([C@H](C)N2COc3cc(C)c4c(c3C2)OC(=Cc2ccccc2C)C4=O)cc1 2322260238 BJSKNUXCDPPQIN-FQEVSTJZSA-N 439.555 6.395 30 10 IKEE Cc1ccc(NC(=O)COc2ccccc2C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1 2322580833 UTVHCXOOOKVSOQ-UHFFFAOYSA-N 440.326 6.215 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(F)c(F)c2)c1OCc1ccc(Cl)cc1Cl 2322784959 FEZIEFXWTZZGHJ-UHFFFAOYSA-N 449.280 6.755 30 10 IKEE CCCNC(=O)COc1c(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cccc1OC 2322807848 KHRVIWCLCZLESN-UHFFFAOYSA-N 445.515 5.289 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OC(=O)c3cc4ccccc4o3)cc(C)c2C1=O 2322843450 RXHOYDZZMNYCHQ-UHFFFAOYSA-N 440.451 5.975 30 10 IKEE COc1cccc(C=CC(=O)c2cc(Cl)cc(C)c2OC)c1OCc1ccc(F)cc1 2322942251 ADBCRFPMAMXECF-UHFFFAOYSA-N 440.898 6.280 30 10 IKEE CCNC(=S)NN=Cc1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1 2323060705 PRICEJFVOPIETO-UHFFFAOYSA-N 425.561 5.024 30 10 IKEE Cc1nc2ccc(C(=O)Oc3ccc4c(c3)OC(=Cc3ccc(F)cc3)C4=O)cc2nc1C 2323553065 SPAIJSXDUCKZNK-UHFFFAOYSA-N 440.430 5.221 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccccc2Cl)cc1OC 2323627012 SEHQCIJLHNYZIV-UHFFFAOYSA-N 429.944 5.272 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Cl)c1OCc1cccc(C)c1 2323725751 VHZYKRBWIKESCD-UHFFFAOYSA-N 442.889 6.800 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 2323831398 DQVSLORELNHHLR-UHFFFAOYSA-N 427.327 6.867 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OCc3nc(O)c4ccccc4n3)c(Cl)c2)c1 2323944031 ABVRHJQGJQUUPN-UHFFFAOYSA-N 444.918 6.081 30 10 IKEE CCN(CC)C(=O)COc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 2324066976 NBCUKKFZAGCOPO-UHFFFAOYSA-N 438.524 5.036 30 10 IKEE Cc1cccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4Cl)ccc3C2=O)c1 2324388914 JAEJWWAGOIEOTE-INIZCTEOSA-N 433.891 5.671 30 10 IKEE Cc1cc(OCCCOc2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1ccc(F)cc1)O2 2324554965 AATWWOZCHOJAQJ-UHFFFAOYSA-N 438.882 6.252 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccc(N(C)C)cc1)C2=O 2325714644 RYPJWYJLRHMAJV-UHFFFAOYSA-N 442.515 5.003 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(OCC(C)C)cc3)c2)cc1C 2325714806 NMIQBPYAESCZCW-UHFFFAOYSA-N 444.527 6.154 30 10 IKEE O=C(Cc1cc(Cl)ccc1Cl)Oc1cccc(C=CC(=O)c2cccc(Cl)c2)c1 2325728160 KLQITJPAWNPNTG-UHFFFAOYSA-N 445.729 6.691 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)CCc3ccccc3C)c2)cc1 2325734014 KGANLTFBJQGGFJ-UHFFFAOYSA-N 444.527 5.837 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccccn3)c2)c(OCC)c1 2325762379 FNHURMOPSTULEF-UHFFFAOYSA-N 447.487 5.003 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)COc3cccc(C)c3C)c2)cc1C 2325770941 NUGWVGPQKHDRHM-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1N=Cc1ccc(OC)c(OC)c1Cl 2326224867 NUEKGTCYCVFYAG-UHFFFAOYSA-N 444.988 5.466 30 10 IKEE CCCCOc1cccc(C=Nn2c(CCC)nnc2SCc2ccc(C)cc2C)c1 2326442764 IUPFYKZITCYQKO-UHFFFAOYSA-N 436.625 6.201 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(Cc3cccc4ccccc34)nnc2SCCO)cc1 2327797845 FWEFFQUCJLYHCF-UHFFFAOYSA-N 444.604 5.286 30 10 IKEE COc1ccccc1OCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccco1 2328280410 ZDZDOVBXRIESJA-UHFFFAOYSA-N 448.548 5.250 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2)n1N=Cc1cccc(Cl)c1 2328744557 MNUALRMEVRVUKG-UHFFFAOYSA-N 426.973 5.494 30 10 IKEE Cc1ccc(OCc2nnc(SCc3cccc(F)c3)n2N=Cc2ccco2)cc1C 2328782210 AWPUFANPWIULAR-UHFFFAOYSA-N 436.512 5.381 30 10 IKEE CCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc(Cl)c(Cl)c1 2329086809 JWOUQDWTSZMWMY-UHFFFAOYSA-N 425.772 5.823 30 10 IKEE Cc1ccccc1CSc1nnc(COCc2ccccc2)n1N=Cc1ccc(F)cc1 2329310091 SCNLEODNKVRMAH-UHFFFAOYSA-N 446.551 5.617 30 10 IKEE Clc1ccccc1C=Nn1c(COc2ccccc2)nnc1SCCc1ccccc1 2329919967 QSCGOIKLNDWPNX-UHFFFAOYSA-N 448.979 5.728 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)cc3)n2N=Cc2ccc(Cl)cc2)cc1 2329936240 HCJGSFBCYWHOHD-UHFFFAOYSA-N 447.007 6.314 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1 2330592792 IFBQFMNQBPOKAL-UHFFFAOYSA-N 436.482 6.537 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)CCc1ccccc1 2330642960 XQLBMKAYYIZQMX-UHFFFAOYSA-N 445.471 5.428 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(CCCC)cc2)cc(OC)c1OC(=O)C1CCCC1 2330848109 DUVYSCJRELANSY-UHFFFAOYSA-N 446.587 6.758 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)(C)C)n2N=Cc2ccc(N(C)C)cc2)c1 2330849432 KVLLDUNYMBDLHD-UHFFFAOYSA-N 435.641 5.724 30 10 IKEE CCc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C2CCCC2)cc1 2331103597 CIVQFCWHUONKSJ-UHFFFAOYSA-N 442.991 6.465 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)cc1)c1ccc(Cl)cc1 2331141889 YBQZOKMWUIIYSF-YADHBBJMSA-N 437.322 6.599 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCCc3ccccc3)nnc2C(F)(F)F)cc1 2331143992 XJZDDDPODRNSCP-UHFFFAOYSA-N 447.530 5.360 30 10 IKEE O=[N+]([O-])c1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2-c2ccco2)cc1 2331225211 UFIQCENGEBCAGO-UHFFFAOYSA-N 439.884 5.274 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2N=Cc2ccccc2C)c(C)c1 2331231537 XSPZFHDUSTWQHV-UHFFFAOYSA-N 445.548 5.076 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)cc(Cl)c1OC(=O)c1ccncc1 2331468391 GKIKZJHHUTWPCC-UHFFFAOYSA-N 443.886 6.012 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(C=CC(=O)c3cccc4ccccc34)cc2Cl)c1 2331472932 HDIGBGHUMIBYJO-UHFFFAOYSA-N 440.926 7.225 30 10 IKEE N#C[C@]1(Cc2ccc(I)c(Br)c2)CCCCC12CC2 2349878817 VWJNGPLYGSTRAN-MRXNPFEDSA-N 430.127 5.460 30 10 IKEE N#CC1(COCc2ccc(I)c(Br)c2)CCCCC1 2350077783 XXSJSEPRDMHZAF-UHFFFAOYSA-N 434.115 5.044 30 10 IKEE C=CCN1C(=O)[C@H](C)Oc2ccc(NC(=O)CCCOc3ccc(Cl)cc3Cl)cc21 12081571 TXWLETNOBZHBNM-AWEZNQCLSA-N 449.334 5.091 30 10 IKEE COc1ccccc1[C@@H]1C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)Nc2nc3ccccc3n21 19629593 CHCXLECKFGUQCQ-WGDIFIGCSA-N 439.490 5.600 30 10 IKEE C=CCn1c(SCC(=O)O[C@@H](C)CC)nc2scc(-c3ccc(C)cc3)c2c1=O 19650738 VXEUOAHDJACFKS-HNNXBMFYSA-N 428.579 5.053 30 10 IKEE CC(C)COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccn2)cc1 20883124 VYXDUGHIDHLRFJ-MMTVBGGISA-N 439.559 6.096 30 10 IKEE COc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(C(C)(C)C)cc2)C3)c(OC)c1 21225035 PIRVCFPFUIIGBX-UTKZUKDTSA-N 433.548 5.006 30 10 IKEE COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C(C)C)cc2)c1 21227134 KWEGIERBAXBWCR-KPURRNSFSA-N 438.571 6.798 30 10 IKEE COc1ccc(/C(C)=N\NP2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)cc1 33540299 KFHQRAZTNBIVLE-XHPQRKPJSA-N 430.444 6.314 30 10 IKEE C=CCNC(=O)c1csc(-c2ccc(OCc3ccccc3C(F)(F)F)c(OC)c2)n1 34712595 XZZJKGMOAUHDDF-UHFFFAOYSA-N 448.466 5.332 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC(=O)/C=C/c3ccccc3)cc2)cc(OC)c1OC 34955173 QVFQEHJWYKTJTD-KAVGSWPWSA-N 444.483 5.227 30 10 IKEE COc1ccccc1/C=C1/Oc2cc(OCC(=O)c3ccc4ccccc4c3)ccc2C1=O 35384018 KIBAHLQTUMZVBC-JFLMPSFJSA-N 436.463 5.726 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc21 38707375 JCRSDVOEOBEJBE-UHFFFAOYSA-N 433.430 5.287 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2cccc(C)c2)cc1 169922935 XJBYJWOZIXKYHU-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE COc1cc(OC)c([N+](=O)[O-])cc1/C=N\Nc1nc(-c2c(C)cc(C)cc2C)cs1 169943295 JLZZPSWNDWCGNC-YVNNLAQVSA-N 426.498 5.107 30 10 IKEE CC(C)Oc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2)c1 169979714 QGJDUDRHEBADGX-HSZRJFAPSA-N 431.463 5.396 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@H]1c1ccccc1)c1cccc(Cl)c1 170050418 VAJHCMOCNPSAFQ-FQEVSTJZSA-N 442.273 5.915 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccccc1F 170070677 WMIZEMVDQGJUBN-NRFANRHFSA-N 437.854 5.271 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2cccc(O)c2)c1 170082588 MXBZLVYFJQEJJO-QFIPXVFZSA-N 435.426 5.070 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccco1)c1cccc(Cl)c1 170093899 BFFFHDGXQHSDHN-SFHVURJKSA-N 447.796 5.735 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccco2)ccc1F 170098170 YFQLJQAMYNAFMR-LJQANCHMSA-N 434.448 5.120 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)o1 170101812 KGHICYFGACKXKI-FQEVSTJZSA-N 442.298 5.986 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1sccc1C 170105294 DKFOFVAOEONDHP-IBGZPJMESA-N 441.455 5.126 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@@H]2c2cccnc2)cc1 170185987 YFEZJOOYEMTNST-XMMPIXPASA-N 442.515 5.216 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2)ccc1Cl 170227082 WPEZQNLRQNRNIO-HSZRJFAPSA-N 447.918 5.830 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 170229165 UEPNTEIIERYRSP-HXUWFJFHSA-N 425.818 5.401 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)cc(OC)c3o2)[C@H]1c1ccc(F)cc1 170243635 RALLLCIPXNEBBC-LJQANCHMSA-N 443.858 5.222 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2F)cc1C 170249534 AHBWCQPPDUVNHL-DEOSSOPVSA-N 445.490 5.542 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2c[nH]c3ccccc23)cc1C 170255809 OUURBSZTZLYNIP-QHCPKHFHSA-N 432.520 5.253 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC(C)C)c3)[C@@H]2c2ccco2)c(C)c1 170289293 CXNOTEUFRGBRGY-DEOSSOPVSA-N 445.515 5.714 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2ccc(C)o2)c1 170304053 BAPCHSVTGYIBCS-QHCPKHFHSA-N 447.487 5.168 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2sccc2C)cc1C 170314375 OBDQZSSPYFBFPR-QFIPXVFZSA-N 447.556 5.855 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2cccc3ccccc23)c1 170369316 ACCYOZRELUQHGV-DEOSSOPVSA-N 436.467 5.026 30 10 IKEE CCOc1cc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2sccc2C)ccc1OC 526486776 PDIZCPFCYAENFK-JOCHJYFZSA-N 446.528 5.393 30 10 IKEE CCCCOc1ccc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526514996 GIOYDWXOXGIRPW-HSZRJFAPSA-N 430.529 5.856 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1/N=C\c1cc(Cl)c(OC)c(Cl)c1 526799490 GAZUPCURSVOKNC-CFRMEGHHSA-N 449.407 6.111 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1/N=C\c1cccc(Br)c1 526800421 QLBRJYZQAJISFG-HMAPJEAMSA-N 429.387 5.558 30 10 IKEE CCCOc1cccc(/C=N\n2c(C)nnc2SCc2ccc(Cl)cc2Cl)c1 526823164 GKEOFJHSNSTKMV-FMCGGJTJSA-N 435.380 5.857 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1ccccc1Cl 526824287 ULXHSHIYNYHRPJ-YVNNLAQVSA-N 425.772 5.975 30 10 IKEE CC(C)COc1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 586203697 BMPLEDIGBZSDPJ-UHFFFAOYSA-N 438.524 5.128 30 10 IKEE CCCCCCCCCOc1cccc(Nc2ncnc3sc4c(c23)CC[C@H](C)C4)c1 586473297 VCPHHQFQRAJZKT-IBGZPJMESA-N 437.653 7.689 30 10 IKEE CCOc1ccc([C@H](O)C[C@H]2SC(=Nc3ccc(-c4ccccc4)cc3)NC2=O)cc1 606655833 AXFLRPHEHXUIOZ-DHIUTWEWSA-N 432.545 5.095 30 10 IKEE C[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)CCN1C(=O)OC(C)(C)C 698830769 LKNGYOXAVLKJOL-QMHKHESXSA-N 449.979 5.763 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@@H](C#N)c1ccc(Br)cc1Cl 698965565 LGBYLFUWISWRRL-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2ccc(Br)c(Cl)c2)c1 710773229 ACPPDMDGUBKZPG-SFHVURJKSA-N 435.749 6.417 30 10 IKEE Clc1ccc(N=Cc2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 1084281793 GTUREIADSOIODU-UHFFFAOYSA-N 427.150 7.251 30 10 IKEE COc1cccc(C=Nc2ccccc2SCc2cc(Cl)cc3c2OCOC3)c1O 1088677791 MKACUJDTOIOWED-UHFFFAOYSA-N 441.936 5.964 30 10 IKEE C=CCN(CC=C)C(=O)c1cccc(NC(=O)CC(c2ccccc2)c2ccccc2)n1 1860572823 XKFFWIFWQRDPJN-UHFFFAOYSA-N 425.532 5.057 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(C(C)(C)C)cc2)n(-c2cccc(Cl)c2)n1 1862365746 CNGHNOOOFPUSCS-UHFFFAOYSA-N 433.983 6.304 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccccc2)cc1 1862387113 DHPCHVAEIGHEFE-XMMPIXPASA-N 435.564 5.423 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc(F)cc2)cc1C 1862401852 LJFAHFWTVXRNMT-UYGSHGSRSA-N 437.511 5.300 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(C(C)(C)C)cc1 1862420952 SNWSJEXJGFUBFB-JOCHJYFZSA-N 441.518 5.887 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc2ccccc12 1862435049 MYWWNOZTDLJFGR-QHCPKHFHSA-N 449.934 5.497 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(C)cc1 1862442144 PQDCLODPHRPUQL-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@H]1c1cccc(O)c1)c1cccc(Cl)c1 1862443123 NQIDMUPIRUEXQJ-QFIPXVFZSA-N 439.939 5.737 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1c(F)cccc1Cl 1862459509 BHGFCGBEKPBSEY-DYBLOJMWSA-N 441.808 5.273 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@@H]2c2cccc(F)c2)c1 1862488554 CBFSRDLJUUVJNC-HSZRJFAPSA-N 449.909 5.874 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCCC2)c1 1862495574 PMJSCGMIRNEERG-RUZDIDTESA-N 447.575 6.003 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(OCC)c(OCC)c1 1862497423 JTEIYIPZPSYGQP-QHCPKHFHSA-N 437.536 5.089 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1ccccc1Cl 1862516253 KGDUGKUQKNNDBL-QFIPXVFZSA-N 441.955 5.897 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccccc1Cl 1862526749 IXPQHDVAHLZPLN-KZULUSFZSA-N 448.744 5.479 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2ccc(O)cc2)cc1 1862530586 STDSMTXBPXXHQW-RUZDIDTESA-N 441.527 5.166 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(C(=O)OC)cc1 1862536620 CHHGZEGTJUYBPL-HSZRJFAPSA-N 449.547 5.194 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(C)cc2)cc1OC 1862576020 KSJLVGYNXDLAHZ-DEOSSOPVSA-N 449.547 5.313 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862591061 CKHPWKFZTVWXJF-QHCPKHFHSA-N 435.520 5.092 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 1862618598 GJKHVTIALKDVDZ-JOCHJYFZSA-N 448.519 5.413 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C(C)C)cc3)[C@H]2c2ccc(F)cc2)cc1 1862663298 RBYAWVFUTCDPAI-RUZDIDTESA-N 443.518 6.036 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(OC)cc1 1862664134 WMELWYOALTXJHG-DEOSSOPVSA-N 435.564 5.977 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(OC(C)C)c(OC)c1 1862671856 VLYHSVSIYFVVNZ-DEOSSOPVSA-N 449.547 5.370 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1 1862675249 FTNYSBWOPHFOAB-IRLDBZIGSA-N 443.946 6.416 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc(Cl)cc2)c1 1862700932 RRKPYBVWJBFZHE-RBQRDFNRSA-N 439.939 5.506 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccc1C 1862713666 SXZIPLBOLNEDTL-RUZDIDTESA-N 427.544 6.307 30 10 IKEE Cc1ccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3ccccc3C#N)C2=O)cc1C 1862805285 REEJOOGHIYLODT-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CCOc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 1862829996 QACUPDBSIOPZNN-UHFFFAOYSA-N 443.890 5.007 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 1862890850 OXUQCNSWTJKVCT-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(C(C)C)c(C)c3)C2=O)cc1 1862898642 DMODOZKVGCDTSR-UHFFFAOYSA-N 435.527 5.695 30 10 IKEE Cc1cc(Cl)ccc1NC1=C(c2ccc(F)cc2F)C(=O)N(c2ccccc2C#N)C1=O 1862954036 YHBGJFHFOWWMBQ-UHFFFAOYSA-N 449.844 5.195 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(Cl)c2C)=C(c2ccc(C)cc2)C1=O 1863262935 KBDDWEHPPCSQJQ-UHFFFAOYSA-N 438.999 6.509 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC2CCCC2)=C(c2ccc(Cl)cc2)C1=O 1863533761 QXZQSJYYPDHIFP-UHFFFAOYSA-N 431.020 6.093 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2F)C(=O)N(Cc2ccccc2)C1=O 1863639426 YQJJIVGUJRSIKL-UHFFFAOYSA-N 436.571 5.836 30 10 IKEE C=CCN1C(=O)C(N[C@H](C)c2ccc(CC)cc2)=C(c2cc(Cl)ccc2Cl)C1=O 1863727395 PTTFWAFEQOECNO-CQSZACIVSA-N 429.347 5.173 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 1866029749 FIFSWBQNDYOICZ-UHFFFAOYSA-N 439.040 8.448 30 10 IKEE CC(C)(C)c1nc(Nc2ccccc2C#N)cc(N2CCC(N3CCCCCC3)CC2)n1 1868351553 YKYPHHZLGDCWOI-UHFFFAOYSA-N 432.616 5.234 30 10 IKEE C=CCn1cc(OCc2cccc(F)c2)c(=O)cc1CSCCc1nc2ccccc2[nH]1 1870166702 GHKADLNUYZKRQK-UHFFFAOYSA-N 449.551 5.105 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2C)c(CNc2cccc(C)c2)cc1=O 1870835939 CCERJJZKHCBNNW-UHFFFAOYSA-N 432.608 6.475 30 10 IKEE CCCCCCCOc1cn(CCCOC(C)C)c(CNc2ccc(C)cc2C)cc1=O 1870837492 JFNFCUOODNUIGF-UHFFFAOYSA-N 442.644 6.242 30 10 IKEE CCCCCCCCCCn1cc(OCCCCCC)c(=O)cc1CNc1ccccc1 1871124722 SFVIBUHVRHKRFN-UHFFFAOYSA-N 440.672 7.560 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OC(=O)c4cc(Cl)ccc4Cl)ccc3C2=O)c1 1871381413 STPOUQXEWCHTOE-FBHDLOMBSA-N 441.266 5.837 30 10 IKEE COc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccc(F)cc4)cc(C)c3C2=O)cc1 1871401058 SJFMUWIFWLDOGA-GEWRUKCFSA-N 447.462 5.165 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc(OCCCOc3ccc(C)cc3)c2C)C1=O 1871407271 ZSWBTEOFQNZYEY-ITYLOYPMSA-N 444.527 6.166 30 10 IKEE CCCCCCCCCOc1ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc2c1 1871429692 OWVVGUFUNGQDCN-UHFFFAOYSA-N 432.516 6.696 30 10 IKEE CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1)O/C(=C\c1ccc(N(CC)CC)cc1)C2=O 1871432824 HOBZNTDZRMGTEO-RRDPUDRWSA-N 437.536 5.260 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc(OCc3ccc(C(=O)OC(C)C)o3)c2C)C1=O 1871438992 BYCPGGQOTGUHMT-JAIQZWGSSA-N 438.501 5.718 30 10 IKEE Cc1cc(C)c(NC(=O)COc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)c(C)c1 1871458473 KIGXTRCGUFXWLR-MCBOVYRESA-N 439.511 5.802 30 10 IKEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccc(F)cc1 1872443688 KLSXBULQIFFOMZ-HSZRJFAPSA-N 446.588 5.179 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3cc(Cl)ccc3Cl)n2)cc1C 1872765271 LHXPFVQFIGLWHH-INIZCTEOSA-N 431.344 5.853 30 10 IKEE COc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3C)cs2)c(C(C)(C)C)c1 1872769727 YEAYPZXHGABXEP-HXUWFJFHSA-N 448.588 5.988 30 10 IKEE CC(C)c1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1 1872776468 QLFYFMONTGHAGJ-MRXNPFEDSA-N 425.897 5.985 30 10 IKEE CCc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2cc(C(C)(C)C)ccc2OC)cs1 1872777327 LDZGYPBTZLSEBN-FQEVSTJZSA-N 448.588 5.934 30 10 IKEE COc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1OC 1872789762 UPKAAZJMMMQPGR-LQPUYASZSA-N 430.938 5.432 30 10 IKEE CCn1c2ccccc2c2cc(NC(=O)c3cccc(COc4ccc(C#N)cc4)c3)ccc21 1872847799 YDIIHQBUVBXHSN-UHFFFAOYSA-N 445.522 6.517 30 10 IKEE CCCOc1ccc(NC(=O)c2ccc(CSc3nc(C)c(C)c(C)c3C#N)cc2)cc1 1872895497 XPOCANXHTGCROJ-UHFFFAOYSA-N 445.588 6.212 30 10 IKEE N#Cc1ccccc1NC1=C(c2cc(F)cc(F)c2)C(=O)N(C2CCCCCCC2)C1=O 1873318302 ONTNKPHAEDTGJL-UHFFFAOYSA-N 435.474 5.141 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccc(OCCCC)cc3)c(=O)oc2c1C 1873953906 DZZUWAKGOPDADG-UHFFFAOYSA-N 449.547 5.725 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1ccccc1O 1874223127 UZBNWCUMUISAGZ-PCLIKHOPSA-N 436.581 5.108 30 10 IKEE CCCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1cccc([N+](=O)[O-])c1 1874279280 CTVHZFXWEMMUKD-HYARGMPZSA-N 429.933 5.009 30 10 IKEE CCSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1ccc(N(CC)CC)cc1 1874326906 LTXQPGYQJJGIIU-PCLIKHOPSA-N 437.613 5.314 30 10 IKEE Cc1cccc(CSc2nnc(CCOc3ccccc3)n2/N=C/c2ccccc2O)c1 1874344741 DAPNQTNBBAWDKD-YZSQISJMSA-N 444.560 5.088 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(Cc3ccccc3F)nnc2SCCc2ccccc2)c1 1874376185 JHVTUZSWPPOUOU-WPWMEQJKSA-N 446.551 5.239 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccccn1 1874376607 FIQUSVSCMPMALO-VULFUBBASA-N 437.931 5.231 30 10 IKEE Cc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2c(Cl)cccc2Cl)c1 1874440340 VLIYINMEMJQNAL-DHRITJCHSA-N 447.435 6.656 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2cccc(C)c2)o1 1874454925 RVNVYCDDTJLUNS-ZVHZXABRSA-N 438.553 5.188 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCCC3)n2/N=C/c2ccccc2OC(C)C)c1 1874455615 AZYZVPBXBYWSDN-JVWAILMASA-N 448.636 6.514 30 10 IKEE COc1cc(/C=N/n2c(SCc3ccccc3C)nnc2C(C)C)cc(Cl)c1O 1874510519 ROMWEMXHUUHFKR-FOKLQQMPSA-N 430.961 5.252 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1OCCc1ccccc1 1874593207 XTOYAXHQQMKSTF-LDADJPATSA-N 434.535 6.880 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc1Cl 1874606924 NHWWBDSGZHQULA-JXMROGBWSA-N 443.971 5.581 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 1874621367 UIKCAWUBMITFHH-VMPITWQZSA-N 437.835 5.452 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OCc1ccc(Cl)cc1 1874623163 OQJDBKHZIHLMHJ-FOWTUZBSSA-N 442.942 7.367 30 10 IKEE CC(C)COC(=O)COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] 1874624204 QWWBRGODGITRGG-VZUCSPMQSA-N 425.481 5.192 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3nccs3)c(Cl)c2)cc1C 1874631593 KOEKYZGZIMTSTQ-QPJJXVBHSA-N 426.925 5.327 30 10 IKEE CCOc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)c2)cc1 1874693495 ICGBNCNEECLEKO-LICLKQGHSA-N 426.512 6.079 30 10 IKEE COc1cc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(C)cc3C)c2)cc(OC)c1OC 1874701918 DFFMHJULBKHVFE-ZRDIBKRKSA-N 446.499 5.445 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(C(F)(F)F)cc3)c2)cc1 1874710372 YVEFLMTVNRZGSF-GIDUJCDVSA-N 438.445 6.944 30 10 IKEE COc1cc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(C)c(C)c3)c2)cc(OC)c1OC 1874714001 ZKCDEORUGLMXTB-ZRDIBKRKSA-N 446.499 5.445 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](C(C)(C)C)CSc2nnc(CCc3ccccc3)n21 1874971038 KQFWHIYAFGLVQY-OAQYLSRUSA-N 442.673 5.799 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccn2)c(Cl)c1)c1ccc(-c2ccccc2)cc1 1875078072 CJUGNZCGHYOOAH-OQLLNIDSSA-N 439.898 6.517 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)c1 1875102921 SQJNCFQGKSTGPR-VGOFMYFVSA-N 437.289 5.573 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(CC)cc3)cc2OCC)c1 1875103415 XWRDHDGLBKMRMY-FOWTUZBSSA-N 444.527 6.162 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cnc(C)cn3)c(OC)c2)cc1 1875108023 UOAOFJWLMOFODA-UKTHLTGXSA-N 430.504 5.252 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)ccc1OC(=O)c1ccc(F)cc1 1875109485 PUEGCYZURLIAQI-LFYBBSHMSA-N 434.463 5.657 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2Cl)c([N+](=O)[O-])c1)c1cccc(Cl)c1 1875124428 KKTCFSSUSRYMJZ-CSKARUKUSA-N 442.254 6.017 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(Br)c(OC(C)=O)c(OC)c2)cc1 1875138120 HDNHZJAJFQKMNC-BJMVGYQFSA-N 433.298 5.068 30 10 IKEE O=C(Cc1ccc(Cl)cc1)Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1 1875153908 DUTTVARRQKPHJT-SFQUDFHCSA-N 426.899 6.537 30 10 IKEE CCCCCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OC 1875155527 HSAQEVGJECBBNV-LFIBNONCSA-N 438.564 6.599 30 10 IKEE COc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1 1875167700 LFUIBDZXRZGWEF-RVDMUPIBSA-N 446.499 5.201 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCSC)c(OC)c2)cc1Cl 1875186188 INPSETZXMNELJO-RMKNXTFCSA-N 434.941 5.302 30 10 IKEE C=CCn1c(C(=O)N(CCCC)CCCCCC)cc2c(NC[C@H]3CCCO3)ncnc21 1875228433 OCOMHRTZIFZXQS-HXUWFJFHSA-N 441.620 5.031 30 10 IKEE C=C(F)C[C@H](NCCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875670951 GPHAPBQPDOGJSO-LSYYVWMOSA-N 449.566 6.120 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@H](C#N)[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 1880391780 QASOVNWDKHFAOE-VQTJNVASSA-N 443.588 5.351 30 10 IKEE O=C(Nc1cc(C(F)(F)F)ccc1F)c1cc(Br)cc(C(F)(F)F)c1 1889902654 HDJSMEMPROLCLZ-UHFFFAOYSA-N 430.117 5.878 30 10 IKEE O=C(c1cccc(C(F)(F)F)c1C(F)(F)F)N1CCC(Oc2ccccc2F)CC1 1890132782 NECZTEKKZPAZLS-UHFFFAOYSA-N 435.339 5.547 30 10 IKEE O=C(Nc1cc(F)cc(C(F)(F)F)c1)N1CC[C@H](Cc2ccc(C(F)(F)F)cc2)C1 1891398130 IMKPTXYCEFDVSA-CYBMUJFWSA-N 434.355 5.960 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]1(CCC)CCCN1C(=O)OC(C)(C)C 1922077169 LHIMWLLDTSZRMV-ZEQKJWHPSA-N 430.633 5.697 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1CN(C(=O)OC(C)(C)C)CC12CCC2 1922086496 QSOUHIBBDUWORM-DHIUTWEWSA-N 428.617 5.165 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@@H](CC(C)(C)C)NC(=O)OC(C)(C)C)NCCC 1922094000 HSOFFVXSKHSUFK-XZOQPEGZSA-N 432.649 5.847 30 10 IKEE CC1(C)CC[C@H](Nc2ccc(C#N)cc2Br)[C@H](CNC(=O)OC(C)(C)C)C1 1927072038 XBKKNRSVOZYBJA-RDJZCZTQSA-N 436.394 5.452 30 10 IKEE C=C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)([C@@H](CCC)C(=O)O)C(C)(C)C 1927519819 HKVVKEQIYVDQLT-WNCULLNHSA-N 435.564 5.997 30 10 IKEE CCCCCCC[C@H](NC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997462502 UQSRFHFTPLQXBV-JYFHCDHNSA-N 432.649 5.779 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]1(C)[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 1999898207 SLTVJYDUCLLWIG-GOTSBHOMSA-N 433.524 5.249 30 10 IKEE C[C@H](N(Cc1ccccc1)c1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2004974657 NTGWDSCFXIZKLR-KRWDZBQOSA-N 428.813 5.475 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C12CCC2 2015373891 TYWVSAFIHOYJHB-QHCPKHFHSA-N 431.508 5.003 30 10 IKEE CCCCC#CC[C@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 2024369618 HUTVDEOMIQVZAE-RPWUZVMVSA-N 430.633 5.439 30 10 IKEE CCCCCCCCC[C@@H](N)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2041896497 KETYMPCCUKQDJG-SHQCIBLASA-N 446.676 6.298 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC(F)F)cc2OC(F)F)ccc1OC(F)F 2053614539 XMJHMAUYYGJJRA-UHFFFAOYSA-N 436.304 5.396 30 10 IKEE Cc1ccc([C@@H](C2CCC2)n2nc(C(F)F)c(C#N)c2I)c(C)c1 2079086997 DFSGZKZWHWVPHE-MRXNPFEDSA-N 441.263 5.303 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(C)sc(C)c1Br 2089289208 NZFDXBFVZNGPKS-CRAIPNDOSA-N 443.451 5.475 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)C1(C#N)[C@H]2CC[C@H]1CN(Cc1ccccc1)C2 2099267631 XLFRJTYHSPONKC-VXKWHMMOSA-N 447.579 5.241 30 10 IKEE Brc1csc(CN=C2N[C@@H](C3CCCCC3)CS2)c1Br 2150561317 GTPBLYWJECYNAV-LLVKDONJSA-N 438.254 5.414 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(Nc3cc(Br)ccc3C#N)CCCCC[C@H]12 2162345040 YVRLAFUIEGGHIK-GHTZIAJQSA-N 434.378 5.445 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](CNc2ccc(C#N)cc2Br)[C@@H]2CCCC[C@@H]21 2179392436 IHCLZCVJANLXOX-BXWFABGCSA-N 434.378 5.158 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCC[C@@H]2CCCC[C@@H]21 2201121519 IGUHFKOZOSRWBM-BPXKWBHBSA-N 433.390 6.443 30 10 IKEE CC[C@H]1CC=C(C(=O)[C@H](Cc2ccc(Br)cc2)NC(=O)OC(C)(C)C)CC1 2237408413 FYUSSGYDIRGYPS-KXBFYZLASA-N 436.390 5.591 30 10 IKEE CC(C)(C)C#CC=CC[C@@H](N)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2256733802 QIDNTBKXJGIGIN-KCWPFWIISA-N 440.628 5.154 30 10 IKEE C=CCCC1(C(=O)c2c(F)cc(F)cc2Br)CN(C(=O)OC(C)(C)C)C1 2266237290 ZFQXYZFURHZJFY-UHFFFAOYSA-N 430.289 5.113 30 10 IKEE O=C(C#Cc1cccc(Br)c1)c1ccc(Br)cc1Br 2278734530 FZBDEAJRIMPFRI-UHFFFAOYSA-N 442.932 5.209 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@H](O)c1cc(Br)cc(C(C)C)c1 2280661015 PHYDTYVYDFQRTA-DHIUTWEWSA-N 432.402 5.357 30 10 IKEE Cc1cc(C(=O)Nc2ccccc2OCc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2282123126 QMGOPZGDERGJLN-UHFFFAOYSA-N 443.352 5.126 30 10 IKEE C#CCN1C(=O)SC(=Cc2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)C1=O 2293654334 ZHMHTLPHAAKZPY-UHFFFAOYSA-N 436.291 5.381 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C 2296310074 DVYFCLZXEQMKOA-MOPGFXCFSA-N 437.422 5.108 30 10 IKEE CCCCCCCCc1ccc(-c2ccc(C3=NC(=Cc4ccc(C)o4)C(=O)O3)cc2)cc1 2297411632 WVIVSZMKIGRAQS-UHFFFAOYSA-N 441.571 7.503 30 10 IKEE C=Cc1ccc(COc2ccc3c(c2)OC(=Cc2ccc(-c4ccccc4)cc2)C3=O)cc1 2314437197 GBUUJFHURGDPEM-UHFFFAOYSA-N 430.503 7.192 30 10 IKEE C=CCN1C(=O)C(=Cc2cccn2-c2ccc([N+](=O)[O-])cc2)SC1=Nc1ccc(C)cc1 2314489177 QHELXCCGLNXORA-UHFFFAOYSA-N 444.516 5.484 30 10 IKEE Cc1ccc(COc2ccc(C=C3SC(=Nc4cccc(C)n4)N(C)C3=O)cc2)cc1 2314539773 AIYSGKYWRVBEFI-UHFFFAOYSA-N 429.545 5.511 30 10 IKEE Cc1nnc(N=C2SC(=Cc3c(Cl)cccc3Cl)C(=O)N2c2ccccc2)s1 2314547487 JJNBOAQKNWQEJN-UHFFFAOYSA-N 447.372 5.962 30 10 IKEE CCCCOc1ccc(C=CC(=O)Nc2sc(=S)c3c(c2C#N)CC[C@@H](C)C3)cc1 2314792611 BBPVLKKMXGUALD-MRXNPFEDSA-N 438.618 6.305 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OCc4cccc(Cl)c4)ccc3C2=O)cc1 2321762425 GPPRWAVKRCAQNN-UHFFFAOYSA-N 433.935 6.381 30 10 IKEE Cc1c(OCc2ccc(F)cc2)ccc2c1OC(=Cc1ccccc1Br)C2=O 2321802065 NBAZPDLXWQZRCP-UHFFFAOYSA-N 439.280 6.092 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccco1)O3)CN(Cc1cccc(C(F)(F)F)c1)CO2 2321911188 PVGNNGGFNGAIAT-UHFFFAOYSA-N 441.405 5.575 30 10 IKEE COc1ccc(OC)c(C=C2Oc3c(ccc4c3CN([C@@H]3CCCC[C@@H]3C)CO4)C2=O)c1 2322145854 MDHKGTCUGRVCJV-HRAATJIYSA-N 435.520 5.051 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(C(C)C)cc1)C3=O)CN(C1CCCCCC1)CO2 2322359609 RNFOHEVKLFDPGD-UHFFFAOYSA-N 431.576 6.609 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1c(F)cccc1Cl)c1ccccc1Cl 2322436885 ZDHUONYCVFGBTC-UHFFFAOYSA-N 435.709 7.261 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)c1OCc1cccc(Cl)c1 2322687647 JKVVXMBGGCYJDL-UHFFFAOYSA-N 434.963 7.121 30 10 IKEE CCc1ccccc1NC(=O)COc1cccc(C=CC(=O)c2ccc3ccccc3c2)c1 2323047525 NCXQEYPDRQVVJA-UHFFFAOYSA-N 435.523 6.316 30 10 IKEE CCOc1cc(C=NNc2nc3ccccc3s2)ccc1OCc1cc(C)ccc1C 2323153729 AECIUVARZGPULL-UHFFFAOYSA-N 431.561 6.337 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(OC)c1OCc1cccc(F)c1 2323602791 FXHLGIYFDFNQGW-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE C=C(C)COc1c(Cl)cc(C=CC(=O)c2cccc(Br)c2)cc1OCC 2323656457 ZWOFOXARJDHJCS-UHFFFAOYSA-N 435.745 6.352 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(OC)c(OCc3ccc(C)cc3)c(OC)c2)cc1 2323831265 MXVZDSVUEPOPBR-UHFFFAOYSA-N 432.516 5.886 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(O)c3CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)C2=O)cc1 2324097459 ZNTVHIQAFIUWOV-GDJIYFAZSA-N 447.575 5.808 30 10 IKEE CCCCN(CC)Cc1c(O)cc(C)c2c1OC(=Cc1cn(CC)c3ccccc13)C2=O 2324123921 IFTIIARZFRKHBJ-UHFFFAOYSA-N 432.564 5.913 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Br)c1OCCCO 2324455514 IFCDLBXUIOYRSV-UHFFFAOYSA-N 433.342 5.122 30 10 IKEE COc1ccc(OC)c(C=CC(=O)[C@@H](C#N)c2nc(-c3cc(C)ccc3OC)cs2)c1 2324574701 UYSXHTCZWKKBEF-LJQANCHMSA-N 434.517 5.034 30 10 IKEE Cc1cc(C)c(COc2cc(C)c3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)cc1C 2324765476 VUSMOQTZCNPHLW-UHFFFAOYSA-N 427.544 6.181 30 10 IKEE CCCC[C@@H](Oc1ccc2c(c1C)OC(=Cc1ccc(Br)cc1)C2=O)C(=O)O 2324784518 IVXJZJAKWSSWEH-GOSISDBHSA-N 445.309 5.396 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OC(c4ccccc4)c4ccccc4)c3C)C2=O)c1 2325216404 YHWDIVALOYBYFD-UHFFFAOYSA-N 448.518 6.788 30 10 IKEE CCCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2325548692 OAMYAWMWPKJXIP-UHFFFAOYSA-N 433.896 5.106 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(C)cc2)C3=O)cc1 2325614106 JPIMRMMQCZJGOO-IBGZPJMESA-N 441.527 6.142 30 10 IKEE COc1cccc(C=Nn2c(C)nnc2SCc2c(Cl)cccc2Cl)c1OC 2325631359 VCZLOSVAKYEKIX-UHFFFAOYSA-N 437.352 5.085 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCC(=O)Nc3cccc(C)c3)ccc2C1=O 2325726842 QHNNSPFPVPFMMW-UHFFFAOYSA-N 429.472 5.027 30 10 IKEE C=CCOc1ccccc1C=Nn1c(COc2cc(C)c(Cl)c(C)c2)nnc1SC 2326112536 HNLYDXDMOYHDSI-UHFFFAOYSA-N 442.972 5.296 30 10 IKEE CCCOc1ccc(C=Nn2c(CC)nnc2SCc2cccc(Cl)c2)cc1Cl 2326467997 PNMCPWOXYASNEO-UHFFFAOYSA-N 449.407 6.111 30 10 IKEE C=CCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1cn(C)c2ccccc12 2327016110 JLCIMMQTGWLPPO-UHFFFAOYSA-N 445.592 5.250 30 10 IKEE CCCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1cccc(Cl)c1 2327300287 JCDABGVWADFOAC-UHFFFAOYSA-N 428.989 5.820 30 10 IKEE N#Cc1ccccc1NC(=O)Oc1ccc(CNC(=O)C=Cc2ccc(Cl)cc2)cc1 2329309929 URQYXYZRJRKJAL-UHFFFAOYSA-N 431.879 5.152 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3F)n2N=Cc2ccccc2F)cc1C 2329429771 IENQLDINGAJMCN-UHFFFAOYSA-N 448.542 5.938 30 10 IKEE O=C(CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccccc1)Nc1ccccc1 2329524146 DXNZMTYSGJNWKD-UHFFFAOYSA-N 447.951 5.212 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc(Cl)c2)cc1)c1ccc(-c2ccccc2)cc1 2330595277 QAJMPSIOFRACKE-UHFFFAOYSA-N 438.910 7.122 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OC(=O)CC(C)C 2330805538 KKNHYVGDXYCUNC-UHFFFAOYSA-N 437.319 5.858 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(OC(C)=O)cc3)cc2)cc1C 2330855474 GGGSJLAOWPJTTA-UHFFFAOYSA-N 430.456 5.044 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3OC)c(OC)c2)cc1C 2330880978 NXCBEGDUTGERMW-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE Fc1ccc(CSc2nnc([C@H]3CCCO3)n2N=Cc2cccc3ccccc23)cc1 2330910392 WWKKSSSJJHKZKW-JOCHJYFZSA-N 432.524 5.596 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)cc3)cc2[N+](=O)[O-])cc1 2330968015 KXUVZOCAHLDXGG-UHFFFAOYSA-N 447.443 5.117 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(OC)c(OC(=O)c2ccc(C)c(C)c2)c(OC)c1 2331056804 GKBOEJVKYKEUPS-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE CCOc1cc(C=Nn2c(SCc3ccccc3F)nnc2C2CCCC2)ccc1O 2331071644 ANWFVEYQRZGSGH-UHFFFAOYSA-N 440.544 5.354 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2Cl)cc1C 2331142954 YWUKDAFSWOCQBZ-UHFFFAOYSA-N 425.311 6.726 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1[N+](=O)[O-] 2331225610 ZBNCLKGADYFRCH-UHFFFAOYSA-N 445.471 5.264 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc(C)cc(C)c3)c(OC)c2)cc1 2331311809 ALFFHBSKZYHNFX-UHFFFAOYSA-N 444.527 6.216 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)ccc1F 2331332973 HSLGSARSDIGSAP-UHFFFAOYSA-N 432.535 6.542 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2ccccc2Cl)c1 2331376420 BYPHNMSHWTXGCF-UHFFFAOYSA-N 441.988 5.150 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OC(=O)c1ccncc1 2331410800 GMDJVIGCGSZHGG-UHFFFAOYSA-N 449.934 6.156 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(F)c2)cc(Cl)c1OC(=O)CC(C)C 2331459030 DOTSDQCNIUMEBL-UHFFFAOYSA-N 434.891 5.734 30 10 IKEE CCc1ccc(C=Nn2c(CC(C)C)nnc2SCc2c(F)cccc2Cl)cc1 2331480341 JBORLRSVKXCHMN-UHFFFAOYSA-N 430.980 6.006 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)[C@@H](C)c1ccccc1 2331509790 DYLYEXRDULXTGU-FQEVSTJZSA-N 428.528 6.424 30 10 IKEE COCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccccc1F 2331592193 BBKJOGZLSZMBLP-UHFFFAOYSA-N 425.316 5.045 30 10 IKEE Cc1ccccc1CSc1nnc(C2CC2)n1N=Cc1cc(Br)ccc1F 2331726449 MCLWTBLOAVPABL-UHFFFAOYSA-N 445.361 5.540 30 10 IKEE CCN[C@@H](C#CC1(OC)CCC1)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2362711075 WKPDLOLNRQPIGW-KRWDZBQOSA-N 437.378 5.019 30 10 IKEE C=CCCCCCCC[C@@H](N)[C@@H](O)c1sc(Cl)cc1I 2366650338 MLSLETFKZFQVHQ-TZMCWYRMSA-N 427.779 5.284 30 10 IKEE O=C1C(c2ccccc2)=C(c2ccccc2)[C@]2(c3ccccc3)C=NN[C@]12c1ccccc1 1584199 PUVLZQLQKKEMNT-LOYHVIPDSA-N 426.519 5.603 30 10 IKEE Cc1ccc2oc(-c3ccc(C)c(/N=C/c4cc(Cc5ccccc5)ccc4O)c3)nc2c1 1947838 UDGKOAXEYSJPQD-UXHLAJHPSA-N 432.523 7.159 30 10 IKEE Cc1cccc(N/C=C2/C(=O)c3sccc3N(Cc3ccc(Cl)cc3)S2(=O)=O)c1 20575726 LHZZYHSNRRJNJX-UNOMPAQXSA-N 444.965 5.196 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OCC(C)C)cc2)C3)cc1 21245020 DTANZLLEGABZBO-QPPBQGQZSA-N 447.575 5.515 30 10 IKEE Cc1ccc[n+](/C(C(=O)c2ccc(OC(F)F)cc2)=C(/S)Nc2ccc(C)c(C)c2)c1 28778595 AMKJCOUFTJMNLP-UHFFFAOYSA-O 441.523 5.552 30 10 IKEE Cc1ccc(C(=O)/C=C\c2ccc(COc3ccc(Br)cc3Cl)o2)cc1 35678143 RIWKCTSTNKQPIB-KTKRTIGZSA-N 431.713 6.479 30 10 IKEE C=CCOC[C@@H](O)CN(Cc1cccn1Cc1ccc(C(C)(C)C)cc1)[C@H](C)C(C)C 35840706 NFTQYVKTVWIWRA-GJZUVCINSA-N 426.645 5.244 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(C)cc2)S/C1=N/c1cccnc1 39862917 SMZBIRHHPNAROU-WFFFFOTMSA-N 441.556 5.759 30 10 IKEE CCOc1cc(/C=C2\S/C(=N/c3cccc(C)n3)N(C3CCCCC3)C2=O)ccc1O 39863665 PZHYSEULPMCPML-SYUAUQEVSA-N 437.565 5.431 30 10 IKEE C=CCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@H]1c1cccc(OCCCC)c1 39913432 YRRPOICMBWEIEY-JOCHJYFZSA-N 437.923 5.665 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O)c1cc2ccccc2o1 41352710 GNNCZSFGAFYGNO-NHDPSOOVSA-N 427.368 5.176 30 10 IKEE CC[C@@H](C)Oc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(C(C)(C)C)cc1)C2 59531671 BYMNWWZJXKGFIL-KKLQWCBXSA-N 445.603 6.166 30 10 IKEE CCCCCCCOc1ccc(NCC(=O)Nc2ccc(C)c(NC(=O)CC)c2)cc1 100077908 FSKRVDJHVZJNQQ-UHFFFAOYSA-N 425.573 5.743 30 10 IKEE O=C(Nc1ccc(F)cc1)[C@H]1CC(=O)N(CCc2ccccc2)/C(=N/c2ccccc2)S1 100416668 OWLXXMRZHQPMDM-AOKXBXCXSA-N 447.535 5.029 30 10 IKEE CCCCCCCSc1nnc2c(n1)O[C@@H](c1ccc(O)c(O)c1)Nc1ccccc1-2 101007160 OQXASWCPKCASKJ-NRFANRHFSA-N 438.553 5.515 30 10 IKEE CCCCCCCOc1c(Cl)cc(C(=O)Nc2ccc3ccccc3c2)cc1Cl 101138338 QGYRMLQEYPIHCW-UHFFFAOYSA-N 430.375 7.748 30 10 IKEE CCCN1C(=S)N[C@@H](c2ccc(OCc3ccc(Cl)cc3)cc2)C2=C1CCCC2=O 169930168 OMXHBLOCWRZWTL-QHCPKHFHSA-N 440.996 5.567 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2cccc(OC)c2)cc1 169931606 QSZXAMLHWUFZAL-SANMLTNESA-N 441.527 5.360 30 10 IKEE Fc1ccc(-c2csc(N/N=C\c3ccc(OCc4ccccc4)c(Cl)c3)n2)cc1 169941717 CEOCEDHYBPGZIZ-ZMFRSBBQSA-N 437.927 6.628 30 10 IKEE COc1cc(Br)cc(/C=N\Nc2nc(-c3ccccc3)c(C)s2)c1OC 169942302 MOBBGCSZJYDPBI-NHDPSOOVSA-N 432.343 5.344 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2cccs2)cc1 169985194 OYAWQQLIJFPVPX-HSZRJFAPSA-N 433.529 5.249 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(Cl)cc1 170056898 VKQVNFIHYAWNHV-QFIPXVFZSA-N 437.948 5.499 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@@H]1c1ccccc1F 170070093 RMZQLKMNFKHCLO-XMMPIXPASA-N 445.490 5.542 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(N(C)C)cc1 170129548 SYLFBIZCGZQQMN-HSZRJFAPSA-N 432.520 5.267 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@H]1c1cccc(C)c1 170147294 MFYIGGKBDWFQAL-HXUWFJFHSA-N 432.545 5.415 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1cccnc1 170191305 WBDDQSOUUYDTTE-JOCHJYFZSA-N 444.874 5.573 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2F)c1 170251537 SYYSLXPDFMNEOW-QHCPKHFHSA-N 437.511 5.526 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@@H]1c1ccccc1F 170252522 GXPQMTBSTIAKPH-QFIPXVFZSA-N 439.527 5.510 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC(C)C)cc3)[C@H]2c2ccco2)cc1 170284677 ZODMYWYXCMWIPE-HSZRJFAPSA-N 447.487 5.106 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@@H]1c1ccc(C)o1 170309718 QDFZEUGIOKWCKA-DEOSSOPVSA-N 445.515 5.464 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)[C@H]1c1ccc(F)cc1)c1ccco1 170377833 GGRDVNZHDKZCOB-SFHVURJKSA-N 431.341 5.220 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2c[nH]c3ccccc23)cc1 170384040 OXKKXBWEEOMWDV-DEOSSOPVSA-N 438.483 5.350 30 10 IKEE Cc1cccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2Cc2ccc(OCC(C)C)cc2)c1 170461411 FXXNGLZLFSQDNX-VWLOTQADSA-N 435.564 5.541 30 10 IKEE N#Cc1c(NC(=O)c2ccc(Br)cc2)oc(-c2ccccc2)c1-c1ccccc1 170494132 DZTIHNHOZOFEML-UHFFFAOYSA-N 443.300 6.500 30 10 IKEE Cc1cc2c(cc1C)C(=O)/C(=C\c1cn(-c3ccc([N+](=O)[O-])cc3)nc1-c1ccccc1)O2 214011912 HWVRCLQMWOEOEP-ZVHZXABRSA-N 437.455 5.681 30 10 IKEE O=C1C(=NNc2ccc(F)cc2)C(c2ccccc2)=NN1c1nc(-c2ccccc2)cs1 252617098 KMEYMSQDMVWWCJ-UHFFFAOYSA-N 441.491 5.168 30 10 IKEE O=C(NCc1ccc(C=Nc2ccc(Oc3ccccc3)cc2)o1)C(=O)Nc1ccccc1 254625185 VMBNIYOMOHKRJF-UHFFFAOYSA-N 439.471 5.077 30 10 IKEE COc1ccc(N=C2S/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)N2c2ccccc2)cc1 263631066 WZZSPOUHQOABOC-IRZHRRCCSA-N 431.473 5.412 30 10 IKEE N#Cc1cc(Br)ccc1CNc1ccc(Cl)cc1I 311564780 AOZWSTBAXQVVSK-UHFFFAOYSA-N 447.501 5.191 30 10 IKEE C=CCN(C[C@@H](NCC)c1ccc(Br)c(Cl)c1F)C(=O)OC(C)(C)C 407589533 SRVBKYIMSLNDAE-CQSZACIVSA-N 435.765 5.315 30 10 IKEE C=CCN(C[C@H](Cc1cc(Br)ccc1C)NCCC)C(=O)OC(C)(C)C 407657309 GWIJFQXYSBTMEY-IBGZPJMESA-N 425.411 5.091 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccc(Cl)c([N+](=O)[O-])c1 526807057 FEJSLHBTXYCRKC-FBHDLOMBSA-N 436.324 5.230 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1c(OC)ccc2ccccc12 526809228 HFZIOQUUXMHUEW-YUMHPJSZSA-N 444.604 6.184 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1cccc(C(F)(F)F)c1 526809720 SAKXMGIYTIAGKI-VYYCAZPPSA-N 446.542 6.431 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1cc(Cl)c(O)c(Cl)c1 526819053 MVAXYQBLRFPVCI-MYKKPKGFSA-N 449.407 6.034 30 10 IKEE COc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2cc(C)ccc2C)cc1 526819364 GWWXEVYKQAPGNG-PKAZHMFMSA-N 442.588 5.669 30 10 IKEE Cc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1c(Cl)ccc(Cl)c1Cl 526822164 GBNNGERVKSDTHH-AQHIEDMUSA-N 436.755 5.593 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCN(C(=O)OC(C)(C)C)[C@@H]2C)cc1 698886919 GCAUAWUWVSSUDA-HOYKHHGWSA-N 429.561 5.418 30 10 IKEE COc1ccccc1CSc1n[nH]c(NN=Cc2cccc(Oc3ccccc3)c2)n1 1084470183 VVIXGPBRZKRBEM-UHFFFAOYSA-N 431.521 5.344 30 10 IKEE CCC(=NNc1nc(SCC(=O)Nc2ccc(Cl)cc2Cl)n[nH]1)c1ccccc1 1084546626 NEGVLKUZGLIQSR-UHFFFAOYSA-N 449.367 5.069 30 10 IKEE CN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)SC1=Nc1cccc(C(=O)O)c1 1772739982 XQHOITCUPSUYQG-PNVGRYOSSA-N 438.892 5.532 30 10 IKEE COc1cc2cc(C#N)c(SCC(=O)Nc3ccc(Cl)c(Cl)c3)nc2cc1OC 1858204871 YANFIZCICXFCRR-UHFFFAOYSA-N 448.331 5.161 30 10 IKEE N#Cc1ccccc1NC(=O)C1CCN(C(=O)c2c(Cl)ccc(Cl)c2Cl)CC1 1859117353 VLLVOXTZLRGLMF-UHFFFAOYSA-N 436.726 5.009 30 10 IKEE COc1ccc(-c2cc(C(=O)Nc3ccccc3C#N)nn2-c2ccc(Cl)cc2)cc1 1859401111 XJDSICCMSNGYGM-UHFFFAOYSA-N 428.879 5.325 30 10 IKEE CC(=O)c1c(C)oc(NC(=O)c2cc(C(C)C)nc3ccc(Br)cc23)c1C#N 1859655208 MEUJXIFARSIEQM-UHFFFAOYSA-N 440.297 5.349 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)c2cnc(C3CCCCC3)s2)nc2ccccc12 1859750113 KRDGTBQHTBSLGU-UHFFFAOYSA-N 442.548 5.357 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)/C=C/c1ccc(OC)cc1)[C@@H](C)CC 1861078979 UPWOSYJVLMWUHX-WJHVFECRSA-N 430.633 5.496 30 10 IKEE CCCCCCCCNC(=O)[C@H](NC(=O)COc1ccc(Cl)c(C)c1)c1ccccc1 1861638905 GIAPHMWSEZIQBA-XMMPIXPASA-N 445.003 5.361 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CCC(C)C)c1 1862385322 MNRRXGBRWCNEPA-FQEVSTJZSA-N 448.346 5.626 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc(OC)c2)cc1 1862390440 CZBJAYKFMGGFOL-RUZDIDTESA-N 447.575 5.949 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862394964 LJVDNMHPCRQKLY-AREMUKBSSA-N 445.603 6.674 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2C2CCCCCC2)c1 1862401675 GPAZWDQCAMWUME-XMMPIXPASA-N 449.547 5.313 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(OCCCCC)cc1 1862422432 FKZMNBGLOYDGHM-JOCHJYFZSA-N 441.474 5.298 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@@H]2c2ccc(F)cc2)cc1 1862474409 NBDTZBHSHXGNOO-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(F)cc2)cc1 1862474783 UZCAEWYXQQHDRA-XDHUDOTRSA-N 445.490 5.482 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2cccc(Cl)c2)ccc1F 1862503163 RMBPXMCKUOJRCB-OTPBECDQSA-N 441.930 5.945 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc(Cl)cc2)cc1 1862516799 XTQOXGRCPKEIOP-OAQYLSRUSA-N 427.928 5.363 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(OC)cc1 1862557709 ODUPJRBUTQQTFK-QHCPKHFHSA-N 436.552 5.216 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccc(C)cc2)cc1 1862687424 KPTRUMMDVMAZPB-UUOWRZLLSA-N 427.500 5.343 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862701165 XOLZFJJZGQSMRH-XMMPIXPASA-N 447.531 5.173 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862702935 PJYPEHDWCGWDHF-XMMPIXPASA-N 445.490 5.175 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(C)c(C)c2)C1=O 1863260507 SJUYMYIKWUTEQQ-JOCHJYFZSA-N 429.564 5.726 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(OCCC)c(OCCC)c2)=C(c2cc(C)ccc2C)C1=O 1863408188 WOQWSQFKNQVYIZ-UHFFFAOYSA-N 448.563 5.259 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccccc2Cl)C1=O 1863445834 LQOLNZNRMNQCSB-MRXNPFEDSA-N 427.891 5.165 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2OC)C(=O)N(Cc2ccccc2F)C1=O 1863763129 GGGDXPUDNUHMLB-UHFFFAOYSA-N 438.543 5.065 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1sc2c(c1C#N)CCCC2 1866032725 VGLKZJXYJSOMCH-UHFFFAOYSA-N 444.729 8.699 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(C(=O)OCC)cn1 1866032763 WHEPGTMUQWYXBV-UHFFFAOYSA-N 432.649 7.458 30 10 IKEE C[C@@H]1c2ccc(C#N)n2CCN1C(=O)/C=C/c1ccc(OCc2ccccc2Cl)cc1 1866309908 HZIHSCILOBBGFB-INMULRNOSA-N 431.923 5.209 30 10 IKEE CC(C)[C@H]1c2[nH]cnc2CCN1c1cc(Nc2ccc(C#N)cc2)nc(-c2ccccc2)n1 1868377308 ZHMZLEBXHPQVRL-VWLOTQADSA-N 435.535 5.242 30 10 IKEE Cc1nc(Nc2ccccc2C#N)cc(N2CCc3ccccc3[C@@H]2CCc2ccccc2)n1 1868490679 OWQGOMAOCWPLIM-MHZLTWQESA-N 445.570 6.137 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(CC)cc2)c(=O)cc1CSC(C)C 1870271029 PNRHDHAGSSXQKB-UHFFFAOYSA-N 429.670 6.992 30 10 IKEE C=CCn1cc(OCCOc2ccc(C(C)(C)C)cc2)c(=O)cc1CSC(C)(C)C 1870310787 GYFXQJHWEXLGNF-UHFFFAOYSA-N 429.626 5.821 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2C)c(CN(CC)CCCC)cc1=O 1870412791 IWURPQAPVVOGQJ-UHFFFAOYSA-N 426.645 6.176 30 10 IKEE CCCCCCCCCCn1cc(OCCO)c(=O)cc1CNc1cccc(C)c1C 1870791699 IAOIVGZLVKDCLJ-UHFFFAOYSA-N 428.617 5.589 30 10 IKEE CCCCCCCOc1cn(C[C@@H]2CCCO2)c(CNc2ccc(N(C)C)cc2)cc1=O 1870833426 IGUPBAQMDKDQHD-DEOSSOPVSA-N 441.616 5.055 30 10 IKEE CCCCCCCOc1cn(CCc2cnc[nH]2)c(CNc2cccc(Cl)c2)cc1=O 1870836746 SZYQAKQTNVCYCH-UHFFFAOYSA-N 442.991 5.429 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(C)cc2)c(CNc2ccc(C)cc2C)cc1=O 1870839378 JWXCAWMOEHXMLG-UHFFFAOYSA-N 446.635 6.783 30 10 IKEE CCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CNc1ccc(Cl)c(C)c1 1871058800 NFDZUNBQNRPOQS-UHFFFAOYSA-N 445.047 7.128 30 10 IKEE C=CCn1cc(OCCOc2cccc(C)c2)c(=O)cc1CNc1ccc(Cl)c(C)c1 1871209223 APFWRZIMDBRESE-UHFFFAOYSA-N 438.955 5.374 30 10 IKEE CC(C)OCCCN1COc2ccc3c(c2C1)O/C(=C\c1c(F)cccc1Cl)C3=O 1871346171 KYXVGLIHABHWHK-NHDPSOOVSA-N 431.891 5.062 30 10 IKEE CCc1ccc([C@@H](C)N2COc3c(cc4c(c3C)O/C(=C\c3ccccc3)C4=O)C2)cc1 1871359825 CYPYMEVSGDDCPI-LPANUZLBSA-N 425.528 6.087 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)c1 1871387626 GYVNVFTYGHMLBV-MSXFZWOLSA-N 444.439 5.040 30 10 IKEE COc1cc(/C=C2\Oc3cc(OCCc4ccccc4)cc(C)c3C2=O)cc(OC)c1OC 1871400238 QOBPAKXXGIPDQD-XKZIYDEJSA-N 446.499 5.259 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2cccc(F)c2)C3=O)c1 1871460318 GOAPUMYBECEXRT-FMCGGJTJSA-N 431.463 5.385 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(C(C)(C)C)cc2)[nH]c(N(C)CCCC)n1 1871553029 DXJNOGVDDCGXHL-UHFFFAOYSA-N 440.680 6.343 30 10 IKEE CCCCCCCCN=c1nc(N2C[C@@H](C)C[C@H](C)C2)[nH]c(=Nc2ccc(C)cc2C)[nH]1 1871602581 WFHOWBPUCBUNKR-SFTDATJTSA-N 438.664 5.331 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(F)cc1 1871895562 WUZMUHQGSAHJMH-HSZRJFAPSA-N 446.588 5.207 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)/C=C/c2ccc(F)cc2)n1 1872777066 FRHZSUCKKRYYBA-WUTDNEBXSA-N 434.536 6.145 30 10 IKEE Cc1cc(C)c(-c2csc([C@H](C#N)C(=O)COc3ccc(C)cc3C(C)(C)C)n2)c(C)c1 1872786235 FPMGZNVRUABVKF-HXUWFJFHSA-N 446.616 6.597 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)C34CC5CC(CC(C5)C3)C4)n2)cc1Cl 1872789541 MPVJJBNMBIJFFR-XYUGOERHSA-N 426.969 5.865 30 10 IKEE CCCCCCCCN1C(=O)C(NC2CCCCCC2)=C(c2cccc3ccccc23)C1=O 1873027277 URXWLBHGQZLLEY-UHFFFAOYSA-N 446.635 6.593 30 10 IKEE CCCCCCCCNC1=C(c2ccc(-n3cccc3)cc2)C(=O)N(CCCCC)C1=O 1873038606 QUHZJWNJKDHJEK-UHFFFAOYSA-N 435.612 5.698 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2C)C(=O)N(CCN(CC)CC)C1=O 1873102166 HFMNBVOGPYHSEZ-UHFFFAOYSA-N 441.660 5.147 30 10 IKEE C(=N/n1c(CC23CC4CC(CC(C4)C2)C3)nnc1SCc1ccccc1)\c1ccccn1 1874243810 XETXSXJSJIDOPN-OGLMXYFKSA-N 443.620 5.607 30 10 IKEE CCSc1nnc(COc2ccccc2OC)n1/N=C/c1ccc(Cl)c(Cl)c1 1874288685 OLPOIVFGHATHLS-SSDVNMTOSA-N 437.352 5.167 30 10 IKEE Clc1ccccc1/C=N/n1c(CCOc2ccccc2)nnc1SCc1ccccc1 1874346265 GADNFSRVENMRAO-YZSQISJMSA-N 448.979 5.728 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(O)cc1 1874361081 LIZDRBRDOORARD-JVWAILMASA-N 446.551 5.391 30 10 IKEE Cc1ccc(CSc2nnc(CCc3cccs3)n2/N=C/c2sccc2C)cc1 1874369290 STNSAFCWBVIVBQ-OEAKJJBVSA-N 438.647 5.978 30 10 IKEE Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cccs2)n1/N=C/c1ccccc1 1874423356 IINMKDSPOHJGFK-ZVHZXABRSA-N 447.589 5.236 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2-c2ccccc2)cc1OC 1874426483 KTDZIAXZOCZVFW-WGOQTCKBSA-N 444.560 5.445 30 10 IKEE Fc1cccc(Cl)c1/C=N/n1c(SCc2ccc(Cl)cc2)nnc1-c1ccco1 1874467460 KCCUSQULZAFGIH-BHGWPJFGSA-N 447.322 6.159 30 10 IKEE Clc1cccc(CSc2nnc(-c3ccco3)n2/N=C/c2ccccc2Cl)c1 1874468787 XNFXZNPJNHGTPS-FSJBWODESA-N 429.332 6.019 30 10 IKEE O=C(O)c1ccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CC2)cc1 1874522896 QQJIJZJFWSUQFS-AUEPDCJTSA-N 447.347 5.335 30 10 IKEE Cc1ccc(COc2ccc(/C=N/n3cnnc3SCc3cc(C)ccc3C)cc2)cc1 1874538556 KYKVFPMBHHAMKV-RWPZCVJISA-N 442.588 5.957 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2cccc3ccccc23)c1OCc1ccccc1F 1874583189 BFDGPHIXVYQVOY-BUHFOSPRSA-N 446.905 7.116 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1c(OCc2cccc(F)c2)ccc2ccccc12 1874585916 MDCCPHLUYSFIFU-OUKQBFOZSA-N 440.514 7.079 30 10 IKEE Cc1cccc(COc2ccc3ccccc3c2/C=C/C(=O)c2c(C)c(C)cc(C)c2C)c1 1874587041 RINMZGLNQWNENF-CCEZHUSRSA-N 434.579 7.857 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2F)cc1C 1874587873 IXOJCAHZJKNKEK-PKNBQFBNSA-N 437.898 6.010 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3cccc(C)c3C)c2)cc1 1874593887 HAERIKLVBCVRCZ-RVDMUPIBSA-N 443.543 5.788 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c([N+](=O)[O-])c2)cc1 1874605194 SIVGPTXSPIYUIM-RIYZIHGNSA-N 444.487 5.379 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(OC)c1OCCc1ccccc1 1874606023 RCHMYSXTMFDSCO-CCEZHUSRSA-N 428.528 5.950 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OCC 1874627294 IKPJAAVTKCDHBR-YRNVUSSQSA-N 445.506 5.287 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc(OC)c1OCC(=C)C 1874634314 WCDHHOVJNOVRSK-MDZDMXLPSA-N 426.940 6.245 30 10 IKEE O=C(Cc1ccc(F)cc1F)Oc1cccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1 1874718705 MLZXVMUMDJOJTE-RUDMXATFSA-N 447.264 6.316 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2cccc(/C=C/C(=O)c3cc(Cl)ccc3Cl)c2)c1 1874718997 VMRLSRAQOAHNCC-RMKNXTFCSA-N 425.311 6.726 30 10 IKEE CCCCCCCCC(=O)N1[C@H](C(C)(C)C)CSc2nnc([C@@H](C)c3ccccc3)n21 1874980963 AMIWDTDQKYDNTA-FPOVZHCZSA-N 442.673 6.166 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)[C@@H](C)c1ccccc1 1875094492 VJVBJNBKWSAWTG-SZEUEKNRSA-N 445.471 5.599 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)cc2)CC1 1875097012 QINDSKMJUVZCIN-DEDYPNTBSA-N 444.615 7.364 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1OCC 1875105309 NNQMVWOMDVZOLU-RMKNXTFCSA-N 441.738 6.647 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 1875117401 DFUDXLLVFMUNAZ-MDWZMJQESA-N 437.835 5.372 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)C(F)(F)F 1875124721 YVHAOKCMWONIIO-VOTSOKGWSA-N 433.209 5.756 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2Cl)cc1 1875131840 QGYOYDUFUABZGK-GXDHUFHOSA-N 446.974 6.954 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCC)c(Br)c2)cc1 1875137925 BDWCNQVVYHMJIQ-WUXMJOGZSA-N 431.326 5.840 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)COc1ccccc1 1875138362 UGYCBABPEHUZOI-OUKQBFOZSA-N 446.499 5.201 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc([N+](=O)[O-])c1OC(=O)CC(C)(C)C 1875140434 GLSKORNFIZGBNY-ZHACJKMWSA-N 439.508 5.848 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc([N+](=O)[O-])c1OC(=O)c1ccco1 1875140609 OODGTNPYLQDAQU-MDZDMXLPSA-N 435.432 5.319 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)Cc1ccc(F)cc1 1875142046 IZASFKPYAKKSAV-WUXMJOGZSA-N 436.454 5.716 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccco2)c([N+](=O)[O-])c1 1875160973 RUEAFELWZARXPR-JXMROGBWSA-N 449.459 5.609 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](Cc2cc(Cl)c(C)c(Br)c2)NC)C1 1892691841 QGMQZWRKXMHECQ-QGZVFWFLSA-N 443.813 5.155 30 10 IKEE C#CCCCCCCNC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1901037638 DQFFPBRFQUEONE-AREMUKBSSA-N 446.591 5.250 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H]1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 1922124500 HFXGGURVLBGXAA-YCAMKHIRSA-N 428.617 5.163 30 10 IKEE C=CCNC(=O)c1ccc(N=Nc2c(C)c(C#N)c(=O)n(CCCCCCCC)c2O)cc1 1933295817 RJUSZQSTNPBULA-UHFFFAOYSA-N 449.555 5.426 30 10 IKEE CC(C)(C)OC(=O)NCC(C)(C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1939077919 FODUNHQYJWMKPP-QGZVFWFLSA-N 437.968 5.525 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 1943911158 JYGTVUBYNHCKJJ-NTKDMRAZSA-N 435.609 5.676 30 10 IKEE CCC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 1945774738 WHQAFCVLMXVVKA-QFBILLFUSA-N 435.540 5.400 30 10 IKEE N#Cc1ccccc1[C@H](CCNC(=O)OCC1c2ccccc2-c2ccccc21)CC(=O)O 1951931391 XUGAUCOIRWGWKT-GOSISDBHSA-N 440.499 5.045 30 10 IKEE CCCCCCCC(C)(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952486088 GYWRBVAUDPNORE-XMMPIXPASA-N 437.580 6.365 30 10 IKEE C#CCC1(NC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)CCCC1 1984723915 FTIPMDORHABHAZ-RUZDIDTESA-N 444.575 5.002 30 10 IKEE C=C(COCc1ccccc1)[C@H](CCC12CC(CN1C(=O)OC(C)(C)C)C2)NCCC 2008789025 XSYQTIYJUJZGHI-SBRHDKPSSA-N 428.617 5.307 30 10 IKEE CCCCCC#CC[C@@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCC 2024369191 CWKCPDWEFUPSRF-BJKOFHAPSA-N 430.633 5.439 30 10 IKEE C=C1CCC(C[C@@H](C[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)NCCC)CC1 2035472192 YVROVDBGCSNWCF-LOSJGSFVSA-N 444.660 5.991 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@]1(C#N)CCN(Cc2ccccc2)CC1(C)C 2037432389 OZTXGMQVCAMAND-SANMLTNESA-N 437.559 5.762 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)-c2ccccc2C3)cc(Br)c1O 2040459704 XLXBDHVJSLADJK-UHFFFAOYSA-N 435.317 6.021 30 10 IKEE CCn1c2ccccc2c2cc(C=C(C(=O)c3ccccc3)c3nc4ccccc4[nH]3)ccc21 2042446020 MVRBBBXASCMHMB-UHFFFAOYSA-N 441.534 7.114 30 10 IKEE CC(C)(C)c1ccc(Oc2ccc(C=CC(=O)c3ccc(Cl)s3)cc2[N+](=O)[O-])cc1 2053504731 IDXBJYKPXRESGX-UHFFFAOYSA-N 441.936 7.296 30 10 IKEE CC(C)c1nn([C@H](c2ccc(C(F)(F)F)c(F)c2)C2(C)CC2)c(Br)c1C#N 2079971592 IZRRQYLLHQFHTJ-MRXNPFEDSA-N 444.270 6.188 30 10 IKEE C=CCC[C@@H](C(=O)N[C@@H]1CCCCN(C(=O)C2(CC=C)CCCCC2)C1)c1ccccc1 2080466184 ZUWGTHGTIYCMMG-JWQCQUIFSA-N 436.640 5.760 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1CCCNc1ccc(C#N)c(Br)c1F 2106035410 DIRDMUQYUFSECT-AWEZNQCLSA-N 426.330 5.051 30 10 IKEE Cc1cc(F)c([C@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)c(Br)c1 2116785900 CQUPWMMOFZEPDM-INIZCTEOSA-N 439.350 5.960 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCC2(CCNCC2)C1 2155273000 WFBJIEOGFUUIRN-NRFANRHFSA-N 434.378 5.007 30 10 IKEE C=CCN(CC[C@H](NCCC)c1c(F)ccc(Br)c1F)C(=O)OC(C)(C)C 2155521518 PMRSEJFSHAUNIJ-INIZCTEOSA-N 447.364 5.581 30 10 IKEE CC(C)(C)OC(=O)NC1(c2ccccc2Nc2ccc(Br)cc2C#N)CC1 2199692387 JFNIKNLYSCOCJG-UHFFFAOYSA-N 428.330 5.578 30 10 IKEE C#C[C@@H](NC(=O)c1cc(NC(=O)OC(C)(C)C)c(C)cc1Br)C1CCCC1 2203847450 GJDMJKJGAWHRAD-QGZVFWFLSA-N 435.362 5.026 30 10 IKEE CCCCCCCC[C@@H](C(N)=O)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2207466735 CRQLUUFYMZOZEP-SFHVURJKSA-N 441.410 5.795 30 10 IKEE O=C(C#Cc1ccccc1Br)c1ccc(Br)c(Br)c1 2227463017 LPGFFQTUWRMTNX-UHFFFAOYSA-N 442.932 5.209 30 10 IKEE Cc1sc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)c(C)c1C 2228571622 UFQZEOGOYOECQL-KRWDZBQOSA-N 435.387 6.442 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)cc1Cl 2230376323 CZZBGMNVMFGZSV-ROUUACIJSA-N 445.829 6.003 30 10 IKEE C=C1CC(C[C@H](NCC)[C@@H](Cc2ccccc2Br)NC(=O)OC(C)(C)C)C1 2237420835 XSIOXPJVTFZQDS-VQTJNVASSA-N 437.422 5.219 30 10 IKEE Cc1ccc(Nc2ccc(C#N)c(Br)c2F)cc1CNC(=O)OC(C)(C)C 2239823494 ONQWGLAJBWAUSC-UHFFFAOYSA-N 434.309 5.537 30 10 IKEE C[C@H](c1cccs1)N(Cc1ccccc1)c1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2256030163 UEFCEFPALZMSIK-GOSISDBHSA-N 434.414 5.397 30 10 IKEE C=C1CCC(C[C@@H](NCC)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)CC1 2256712008 QGZXTENKPPEOPP-XMMPIXPASA-N 442.644 5.555 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)c1ccc(OCc2ccccc2)cc1 2262201352 ZXJWADYPPSDJED-HHHXNRCGSA-N 432.516 5.571 30 10 IKEE CC(C)(C)OC(=O)NCC1(F)CCC(CNc2c(Br)cccc2C#N)CC1 2285172228 RAQQBTFYRQLGKF-UHFFFAOYSA-N 440.357 5.156 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1Cc2ccc(Nc3c(Br)cccc3C#N)cc2C1 2285190301 RGEJLFMQCBKQCK-QGZVFWFLSA-N 428.330 5.056 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(COc3ccc(NC(C)=O)cc3)c2)cc1 2295976552 QQBBNQFAOTXOQM-UHFFFAOYSA-N 431.488 5.137 30 10 IKEE Cc1cc(N2C(=O)C(=O)C(=C(O)c3ccc(F)cc3)[C@H]2c2ccc(Cl)c(Cl)c2)no1 2296550424 SRBWSVMELFJEJV-GOSISDBHSA-N 447.249 5.055 30 10 IKEE CCOC(=O)C1=C(Nc2cccc3ccccc23)SC(=Cc2ccc([N+](=O)[O-])cc2)C1=O 2297306542 XYZRQGMWCWQDSS-UHFFFAOYSA-N 446.484 5.292 30 10 IKEE O=C1NC(=Nc2cc(F)c(F)c(F)c2)C(=Cc2cccc(Oc3ncccn3)c2)S1 2297473079 HAQJNSZVJYAWHE-UHFFFAOYSA-N 428.395 5.214 30 10 IKEE Cc1c(OCC(=O)OC(C)(C)C)ccc2c1OC(=Cc1ccc(Cl)cc1Cl)C2=O 2321734612 IWDVHCKEZBPHCR-UHFFFAOYSA-N 435.303 5.639 30 10 IKEE Cc1cc(OCc2cccc(F)c2)cc2c1C(=O)C(=Cc1cccc(Br)c1)O2 2321888554 QXNGFOYRSPNQEU-UHFFFAOYSA-N 439.280 6.092 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccccc1)C3=O)CN(CCc1c[nH]c3ccccc13)CO2 2322284086 DHYWRDAQCRWSJH-UHFFFAOYSA-N 436.511 5.487 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc([N+](=O)[O-])cc1)C3=O)CN(C1CCCCCCC1)CO2 2322415131 CYLOQICBGPDDLW-UHFFFAOYSA-N 448.519 5.784 30 10 IKEE C=C(C)COc1c(C=CC(=O)c2ccc(OC)c(C)c2)cc(Br)cc1OC 2322416121 KCFLTKSIJPZRRC-UHFFFAOYSA-N 431.326 5.626 30 10 IKEE Cc1cccc(CN2COc3c(cc4c(c3C)OC(=Cc3ccc(N(C)C)cc3)C4=O)C2)c1 2322433366 IKJXUEILWCZTGF-UHFFFAOYSA-N 440.543 5.338 30 10 IKEE Cc1cc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)NC2CCCCC2)ccc1F 2322634717 RBHBRPPSJFDDPB-UHFFFAOYSA-N 429.919 5.511 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccccc1OCC(=O)Nc1ccccc1F 2323022235 BGOQNRYUGUDLJS-UHFFFAOYSA-N 439.870 5.401 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)C=Cc4ccc(C)cc4)cc(C)c3C2=O)cc1 2323060120 OCWPBUPEQCUQAQ-UHFFFAOYSA-N 426.468 5.547 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3cccc(C)c3C)c2)cc1 2323078526 FRINHQKDATVZBL-UHFFFAOYSA-N 441.571 6.560 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1cc(C)c2c(c1)OC(=Cc1ccccn1)C2=O 2323177103 VFOODMINOOUDRT-UHFFFAOYSA-N 429.472 5.079 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)C=Cc1ccc(C(C)C)cc1 2323232206 OMHMWDWNDAGMID-SANMLTNESA-N 442.688 6.755 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1Cl)Nc1nccs1 2323396500 QGKHKRKLPFKVKV-UHFFFAOYSA-N 448.931 5.863 30 10 IKEE Cc1cc(OC(=O)Cc2cc(Cl)ccc2Cl)cc2c1C(=O)C(=Cc1cccnc1)O2 2323404514 VIMQEAQIUGOKEP-UHFFFAOYSA-N 440.282 5.461 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1 2323832162 RIERQLHPLITKDR-UHFFFAOYSA-N 449.934 5.961 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2[N+](=O)[O-])c1 2323858202 RUIXYFVXIHLQIS-UHFFFAOYSA-N 444.487 5.434 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(OC)c1OCc1ccccc1F 2324155948 WDSYIPAEEOHBSI-UHFFFAOYSA-N 434.507 6.441 30 10 IKEE Cc1ccc(OCCCOc2ccc3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)cc1 2324545167 NWTBPNVMFPTWNA-UHFFFAOYSA-N 429.516 5.525 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OCC(=O)NCc1ccccc1 2324567761 YBRKJQAPZWAZTI-UHFFFAOYSA-N 443.543 5.212 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OCCCCOc4ccc(C)cc4)c3C)C2=O)cc1 2324589065 CIJPEWSXIWTEJT-UHFFFAOYSA-N 442.555 6.720 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)ccc1OCc1cccc(C)c1 2324672619 FVFCVNXCWOWVII-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE Cc1c(OCc2cccc3ccccc23)ccc2c1OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2325279418 QYLNZBHAEQHVMJ-UHFFFAOYSA-N 448.562 7.641 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(O)cc2)ccc2c1OC(=Cc1ccc(C(C)C)cc1)C2=O 2325549852 XMTRTLDUFBKINB-UHFFFAOYSA-N 443.499 5.458 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1cccc(C=CC(=O)c2ccc3ccccc3c2)c1 2325700077 VITRXFJCSJROEL-UHFFFAOYSA-N 442.514 7.037 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)CCCOc3cccc(C)c3)c2)cc1C 2325715210 PJDXWQMOMBGPGF-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2Cl)cc1OC(=O)c1ccc([N+](=O)[O-])cc1 2325716681 DRSJRCVGXCIXHG-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2cc(C)ccc2C)cc1OC(=O)C(C)(C)C 2325740296 QPWRWTKTYNYWME-UHFFFAOYSA-N 445.353 5.922 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccccc1OCC(C)C 2326473537 KXPLSQPTBXNBAR-UHFFFAOYSA-N 443.016 6.093 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc(Cl)cc1 2326705742 CXLIXBYQPYHWMN-UHFFFAOYSA-N 425.772 5.975 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2N=Cc2ccc([N+](=O)[O-])cc2)CC1 2328179759 AJLRGHQPNNZOKI-UHFFFAOYSA-N 429.590 6.035 30 10 IKEE Cc1ccc(CSc2nnc(CCCOc3ccccc3)n2N=Cc2cccn2C)cc1 2328711781 FSGICBBNKQNEJJ-UHFFFAOYSA-N 445.592 5.111 30 10 IKEE Fc1ccc(CSc2nnc(CCCOc3ccccc3)n2N=Cc2ccccc2)cc1 2328719940 BXNLSMNWMAAOBM-UHFFFAOYSA-N 446.551 5.603 30 10 IKEE C=C(C)CSc1nnc(COc2cccc(C)c2C)n1N=Cc1ccc(Cl)cc1 2328846857 OYWULQMALZGVOU-UHFFFAOYSA-N 426.973 5.678 30 10 IKEE CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc(OCc2ccccc2)cc1 2329068867 WMDFDXPBQQGXMO-UHFFFAOYSA-N 448.979 5.705 30 10 IKEE Fc1ccc(C=Nn2c(COCc3ccccc3)nnc2SCCc2ccccc2)cc1 2329344225 VZYTXIJFNBKWGZ-UHFFFAOYSA-N 446.551 5.351 30 10 IKEE Fc1ccc(CSc2nnc(-c3ccccc3Cl)n2N=Cc2ccccc2F)cc1 2329545072 LWCFNEYGSLGYJC-UHFFFAOYSA-N 440.906 6.051 30 10 IKEE CCCC[C@H](NC(=O)C=C(c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1ccccc1C#N 2329600098 AFTWGLQMAPZVPS-VWLOTQADSA-N 429.564 5.282 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@H](C)c3ccccc3)n2N=Cc2cccn2C)c1 2330131280 DTSONAVFTCEBCE-HXUWFJFHSA-N 429.593 5.560 30 10 IKEE Fc1cccc(CSc2nnc(-c3cccs3)n2N=Cc2cccc(Cl)c2)c1 2330556721 ARXITRUWGPIQPE-UHFFFAOYSA-N 428.945 5.974 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2cccc(Cl)c2)cc1 2330653438 DYHUHXWBENIZKP-UHFFFAOYSA-N 449.923 5.681 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c(OC)c2)cc1[N+](=O)[O-] 2330724059 CCMSVHHXGHDDCP-UHFFFAOYSA-N 441.480 5.384 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2c(Cl)cccc2Cl)nnc1[C@@H]1CCCO1 2330974761 OSRFBETVQHPQRS-IBGZPJMESA-N 447.391 5.919 30 10 IKEE Cc1cccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2-c2ccco2)c1 2331225365 KGLIRKFPEOFSHZ-UHFFFAOYSA-N 443.359 6.328 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1OC(=O)Cc1ccccc1 2331279237 ZQDNUUQZMYWAOF-UHFFFAOYSA-N 445.471 5.346 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3cccc(OC)c3)cc2)cc1 2331295685 RMZHSMKLMIDBRH-UHFFFAOYSA-N 444.527 5.918 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CC(C)C)nnc1SCc1cc(C)ccc1C 2331456929 XICDDVILQCCXFT-UHFFFAOYSA-N 434.609 5.833 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(C(F)(F)F)cc1 2331541502 UPSLZXLMWZCJEL-UHFFFAOYSA-N 444.380 5.968 30 10 IKEE COc1cccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C(C)C)c1OC 2331706433 PIFDIDQRQCWYTP-UHFFFAOYSA-N 446.576 5.746 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)c1sccc1C 2331802387 HOHXTAYNNCENST-UHFFFAOYSA-N 448.584 6.786 30 10 IKEE CC1(C)C[C@@H]1C#C[C@H](N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2339566447 JTCXHNCIVBHWAX-PNIUZAESSA-N 441.571 5.255 30 10 IKEE Cc1nn(Cc2ccccc2)c(C)c1CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2365119822 XDDVBSPCNVDNCA-CCEZHUSRSA-N 444.388 5.200 30 10 IKEE O=C(CSc1ccc(/C=N/c2ccc3c(c2)oc2ccccc23)o1)Nc1ccccc1 712102 UBRRRJDLUZYDGE-CVKSISIWSA-N 426.497 6.660 30 10 IKEE CCCCCCCCNC(=O)c1sc2ncn(Cc3ccccc3Cl)c(=O)c2c1C 2911078 OCBLNSDZFOACDJ-UHFFFAOYSA-N 446.016 5.558 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 5926303 XHYOHAAIBFVLTH-QHCPKHFHSA-N 445.515 5.759 30 10 IKEE O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@H](c1ccccc1Cl)Sc1ccccc1N2 17099860 OEZKHJKSWUULBM-LMKMVOKYSA-N 435.951 7.139 30 10 IKEE COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(-c4ccc([N+](=O)[O-])cc4)c32)cc1 20134797 GIHWLBZUBFIBJV-HXUWFJFHSA-N 444.491 5.194 30 10 IKEE COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1Cl 20883925 DWHJWXAZRDALGG-HFJWLAOPSA-N 430.935 6.328 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2C(F)(F)F)cc1 21259911 GGKMICAREQAZDU-MAUKXSAKSA-N 429.438 5.108 30 10 IKEE O=C(C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1cccs1)c1ccco1 34920787 RTWHZSDDEPTTSF-MRXNPFEDSA-N 442.905 5.387 30 10 IKEE C/C(=N/OCc1cccc(C)c1)c1cc(-c2ccc(F)cc2)n(-c2ccc(C)cc2)c1C 35843443 YLSRXAAFUYSOPU-OFWBYEQRSA-N 426.535 7.149 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)[C@@]12CC[C@@](C)(/C(=N\OC(=O)c3ccccc3)C1)C2(C)C 38288327 AGAXOAMCROGDLT-VPJVKGEQSA-N 438.955 6.016 30 10 IKEE CCCCCOc1ccc(C(=O)c2c(C)c(C#N)c(=O)n([C@H](C)c3ccccc3)c2O)cc1 38622902 YCAVOCOAFVYYDN-LJQANCHMSA-N 444.531 5.143 30 10 IKEE Cc1cc(C)cc(-n2c(C)cc3c2CC(C)(C)C/C3=N\OC(=O)/C=C/c2ccccc2)c1 39853200 VGNZPHMXMYCONI-APZKSCEYSA-N 426.560 6.336 30 10 IKEE CCCOc1cccc([C@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccccc4)nn32)c1 54644204 WECGPZKKBCUHSW-QHCPKHFHSA-N 446.576 5.381 30 10 IKEE CCOc1c(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cccc1OC 59246029 GQQXBENDBNGUNP-WGOQTCKBSA-N 440.609 5.847 30 10 IKEE C=CCn1c(SCCC(=O)Nc2ccc([C@@H](C)CC)cc2)nnc1-c1ccc(F)cc1 59803528 BMXIUZKIDZYELQ-KRWDZBQOSA-N 438.572 5.905 30 10 IKEE CCc1ccc([C@H]2C3=C(CCCC3=O)Nc3c(C(=O)Nc4ccc(C)c(C)c4)cnn32)cc1 64775580 RODDNCFYMOJUOJ-VWLOTQADSA-N 440.547 5.337 30 10 IKEE C[C@H]1CCc2c(sc3nc(SCc4cccc(C#N)c4)n(-c4ccccc4)c(=O)c23)C1 96535358 VIHCTYUQCCGJGR-INIZCTEOSA-N 443.597 5.736 30 10 IKEE O=C1/C(=C/c2cccc([N+](=O)[O-])c2)S/C(=N/Cc2ccccc2)N1Cc1ccccc1 100481636 LYFALZGRIMQGOA-HLTANSAUSA-N 429.501 5.268 30 10 IKEE CCCCCCCCCn1c(CCNC(=O)C23CC4CC(CC(C4)C2)C3)nc2ccccc21 101906985 XMTOOKIQUOGTLD-UHFFFAOYSA-N 449.683 6.662 30 10 IKEE C=CCOc1c(Br)cc(CNC23CC4C[C@](C)(C2)C[C@](C)(C4)C3)cc1OC 103576612 BDTPPUNEHVMTLT-YCVWAYHFSA-N 434.418 5.861 30 10 IKEE CC1=NN(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)/C1=N/Nc1ccccc1Cl 105572729 VZOQNDYXOSOTFU-JJIBRWJFSA-N 430.320 5.308 30 10 IKEE Cc1nc(NC(=O)COc2ccc3ccccc3c2Br)sc1SCC#N 107915645 QYGWAADUCZYWDQ-UHFFFAOYSA-N 448.367 5.000 30 10 IKEE N#C[C@@H](C(=O)c1cc(Br)ccc1Br)c1ccc(Cl)c(Cl)c1 160723425 XGVWDSJIEQLHRN-LLVKDONJSA-N 447.941 6.008 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1cccs1)c1ccc2ccccc2c1 169983998 WQJWLEXXUMFVSJ-JOCHJYFZSA-N 447.462 5.962 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2cccnc2)c1 170002520 OHTOOTZXVQEPAX-DEOSSOPVSA-N 442.515 5.387 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C)cc2)c1 170036895 DZRSIYQMPRXLCO-HSZRJFAPSA-N 431.463 5.316 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cn(C)c3ccccc23)c(C)c1 170085598 UPTBICZEYYQMMW-XMMPIXPASA-N 444.531 5.016 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2cccs2)c1 170158315 MMOYWXRCFWNZRD-QFIPXVFZSA-N 449.528 5.165 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@H]1c1cccs1 170165610 NYZKSESJRMFMLV-OAQYLSRUSA-N 427.566 5.649 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1cccs1 170165616 ATPFFLISSIRJHQ-KRWDZBQOSA-N 434.355 5.279 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@@H]2c2ccccn2)c1 170170663 MEAHDXDCQLGUAT-DEOSSOPVSA-N 442.515 5.269 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccccc2)c1 170224153 DUZCRAFJOABFMD-XDHUDOTRSA-N 425.484 5.101 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1F 170248240 KAUNETWOYOLUIQ-QFIPXVFZSA-N 435.426 5.065 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1c[nH]c2ccccc12 170255707 MBXWBTRNVAJQRO-IBGZPJMESA-N 429.303 5.463 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccc(C)o2)cc1C 170301837 LIEOKBBYDJPQGS-XMMPIXPASA-N 445.515 5.695 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(OC)c(O)c1 170322506 JOLCJESZDMAZNK-XMMPIXPASA-N 449.547 5.048 30 10 IKEE O=C(/C=C\c1ccc(-c2cccc(Cl)c2Cl)o1)c1cccc(N2CCOC2=O)c1 208088199 IOUCYBBTBKYWIF-CLFYSBASSA-N 428.271 6.106 30 10 IKEE C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1C/C(=C/c1ccc(C(F)(F)F)cc1)C2=O 253561774 CMCWTYNIVZMUIH-WXSPTIPFSA-N 430.554 7.701 30 10 IKEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(COc2ccc(OCc3ccccc3)cc2)c1 382477456 KCJBMMKPVDRHPK-UHFFFAOYSA-N 446.352 5.152 30 10 IKEE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccccc2C#N)[C@@H]1c1cccs1 526608425 DPASXLPYEPHAPH-OAQYLSRUSA-N 432.501 5.084 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Cl)cc2)ccc1O 526708438 OVTQYAFLYYPZCX-JOCHJYFZSA-N 449.890 5.227 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1ccc(Br)cc1 526805590 OXQPOZZGQJYBAC-XKZIYDEJSA-N 429.387 5.476 30 10 IKEE COc1ccc(/C=N\n2cnnc2SCc2ccc(Cl)cc2Cl)c(Cl)c1O 526823151 GEIOLRPDTBKGMK-HOEBFWFUSA-N 443.743 5.127 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1ccc(OCC(C)C)cc1 526823864 XXIDGEDHTGOHSS-MYKKPKGFSA-N 449.407 6.103 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1ccccc1[N+](=O)[O-] 526824065 IJIIAELDTYFAAN-FBHDLOMBSA-N 436.324 5.230 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@H](NC(=O)c3ccc(Cl)s3)C2)c1 586045827 ABRHVWLMXVZROF-SFHVURJKSA-N 446.016 5.274 30 10 IKEE N#Cc1ccc(CN(c2cccc3cccnc23)S(=O)(=O)c2ccc(Cl)cc2)cc1 586261180 MFCKOSSRFBPSHC-UHFFFAOYSA-N 433.920 5.155 30 10 IKEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2ccc(OCCCCCC)cc2)cc1 586712641 SRXSILBQCOQWEX-UHFFFAOYSA-N 435.568 6.104 30 10 IKEE Cc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)cc1Br 698829128 DDZINROHGJYSBW-SFHVURJKSA-N 435.749 6.417 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@]1(C#N)CCN(C(=O)OCc2ccccc2)C1 698874034 LTBWODPLBBMVDD-RUZDIDTESA-N 441.572 5.251 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@H](C#N)c1cccc(Br)c1F 698986682 FPOGLQGSWDDBKF-MRXNPFEDSA-N 439.712 6.248 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H]3C[C@@H](CN3Cc3ccccc3)C2)cc1 716630235 NYSIUXZMJQHXQC-ZYVVXELTSA-N 447.579 5.384 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)CSc2n[nH]c(NN=C(C)/C=C/c3ccccc3)n2)cc1 1083891820 MGHIRDILGNCZOX-YWMDUDAJSA-N 448.596 5.550 30 10 IKEE Cc1cccc(N=C2NC(=O)/C(=C\c3cc(Br)c(N4CCCC4)o3)S2)c1C 1084105315 RFKAYEUJGQNETE-GZTJUZNOSA-N 446.370 5.151 30 10 IKEE CCOc1cc(/C=C2/SC(=Nc3nc(-c4ccccc4)cs3)N(C)C2=O)ccc1O 1772735159 FYTURXVGRFDVGW-VLTWACRQSA-N 437.546 5.148 30 10 IKEE CCCCc1ccc(C[C@@H]2SC(=NN=Cc3ccc(-c4ccccc4)o3)NC2=O)cc1 1772742227 HNECBFREUVWPCN-QHCPKHFHSA-N 431.561 5.453 30 10 IKEE C/C=C\[C@@H]1[C@@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@]12C 1775963412 YDPYMUVKYRYLFR-ZNWKDIJTSA-N 431.620 5.815 30 10 IKEE Fc1ccc(-c2nn(-c3ccccc3)cc2/C=N\NC(=S)Nc2cccc(Cl)c2)cc1 1857811725 ZNDDIKUIBIFMQQ-WGARJPEWSA-N 449.942 5.652 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCC)NC(=O)/C=C/c1ccc(Br)cc1 1861110690 MXXALUAUXQLFPX-YFIXDKARSA-N 437.422 5.224 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@H](C)CC 1861126015 MRPQJSJWEIDQIY-GMCFHCHNSA-N 445.604 5.396 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CCOC(C)C)cc1 1862379750 KAIHNSKGEMDKCK-FQEVSTJZSA-N 448.346 5.305 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2cc(Cl)cc(Cl)c2)cc1 1862394482 MMFAOXGZQUCXGO-NRFANRHFSA-N 446.374 6.324 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2ccccc2)cc1 1862419547 UBSGULJHHNRNKS-QHCPKHFHSA-N 449.453 5.142 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(F)cc1)c1ccccc1Cl 1862430034 AOIMGSYPFSWYQM-JOCHJYFZSA-N 435.882 5.300 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 1862444707 FMKNQOURWPCNLL-HXUWFJFHSA-N 432.347 6.152 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 1862478168 AGUIITLQQGPVGZ-DKZVUGQWSA-N 434.492 5.060 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862479298 CVMKTSJKDUXMRS-RUZDIDTESA-N 447.575 6.085 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCCCC2)c1 1862489470 WDGLNJSYWCINQL-DEOSSOPVSA-N 433.548 5.613 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(CC)cc1 1862489523 XEDUWXMHGRZZDL-VWLOTQADSA-N 449.591 5.651 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2cccc(Cl)c2)ccc1F 1862503162 RMBPXMCKUOJRCB-JEWAVWJGSA-N 441.930 5.945 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCc2ccccc2)cc1 1862507324 JATNRFKWMQQVCI-DEOSSOPVSA-N 429.491 5.264 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccccc1F 1862530729 WRTKOAKKDAHARB-QHCPKHFHSA-N 439.527 5.173 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(N(C)C)cc1 1862650839 FHKAGOLTVBNJKH-MZNJEOGPSA-N 428.532 5.283 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862654885 UWHHHVOUGFGKAR-QRQCRPRQSA-N 430.460 5.125 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cccc(Cl)c3C)C2=O)cc1C 1862871316 XFJUQLBPOLAPCQ-UHFFFAOYSA-N 441.918 5.534 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(OCC)cc2)C1=O 1863211215 HITNAIKBULSUEZ-QFIPXVFZSA-N 445.563 5.508 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCC)=C(c2ccc(OC(C)C)cc2)C1=O 1863695487 LTQKIPSPTCURLU-UHFFFAOYSA-N 428.617 5.694 30 10 IKEE CCCCCCCCCCn1cc(OCCO)c(=O)cc1CSc1ccc(C)cc1 1870239151 DQQQWCRFWYLWTA-UHFFFAOYSA-N 431.642 5.961 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(F)cc2)c(=O)cc1CN1CCC[C@H](C)C1 1870625490 HGNBULYJSVOFHF-QFIPXVFZSA-N 442.619 6.159 30 10 IKEE C=CCOc1cn(CCCCc2ccccc2)c(CNc2cccc(C(C)(C)C)c2)cc1=O 1870809615 MLGSYBWHJGNSCP-UHFFFAOYSA-N 444.619 6.346 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2Cl)c(CNc2ccccc2)cc1=O 1870830094 BPXHOHPMRGMUCK-UHFFFAOYSA-N 438.999 6.511 30 10 IKEE CCCCCCCOc1cn(CCCC)c(CNc2cc(Cl)cc(Cl)c2)cc1=O 1870832228 SXWONEZCVBRIQF-UHFFFAOYSA-N 439.427 6.917 30 10 IKEE CCCCCCCOc1cn(CCCCCCO)c(CNc2cccc(C)c2)cc1=O 1870839475 SXRMOEIOSRZYMG-UHFFFAOYSA-N 428.617 5.671 30 10 IKEE C=CCn1cc(OCCOc2ccccc2)c(=O)cc1CNc1ccc(Cl)c(Cl)c1 1871045935 FZBUVYUJIICGBH-UHFFFAOYSA-N 445.346 5.411 30 10 IKEE C=CCn1cc(OCc2c(F)cccc2Cl)c(=O)cc1CNc1ccc(OC)cc1 1871089477 NJFZMDGELIUAAZ-UHFFFAOYSA-N 428.891 5.027 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O)/C(Cl)=C/c1ccccc1 1871377421 KKJWGNWOHNMNFR-FFOWACNVSA-N 437.278 6.142 30 10 IKEE CC(C)c1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871380444 OOJAGUUPYQMSLT-QXXZEVIWSA-N 428.459 6.184 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)Nc2ccc(F)cc2)cc2c1C(=O)/C(=C/c1cccc(F)c1)O2 1871400667 HXZJLETVIFCTNY-QZDMBBGESA-N 435.426 5.295 30 10 IKEE CCOc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871405196 AGLQQLFJSLJVPT-ICODJCHTSA-N 447.487 5.317 30 10 IKEE Cc1ccccc1OCCCCOc1ccc2c(c1)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 1871405448 ROHJHWSXDIIZDV-XYGWBWBKSA-N 445.471 5.757 30 10 IKEE Cc1c(O[C@H](C)C(=O)Nc2ccccc2Cl)ccc2c1O/C(=C\c1ccccc1)C2=O 1871407289 VFPRBPWCKUHOBB-LRSOKBAUSA-N 433.891 5.671 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2cccs2)C3=O)c(C)c1 1871414704 XCYLBXDBWNWUEK-VYZAVGSRSA-N 433.529 5.696 30 10 IKEE CCCCCCCCCOc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O 1871429982 XASSIYDFCFQIDY-KQWNVCNZSA-N 443.381 7.195 30 10 IKEE CCCN(CCC)C(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(OCC)cc1)C2=O 1871430413 JNWFPHMDJQORNB-HAHDFKILSA-N 437.536 5.037 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O)Nc1cccc(Cl)c1 1871454856 WTOFXMCKSDMYFD-OGAKRCKNSA-N 431.875 5.530 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(OC)cc2)C(=O)N(CCCCCC)C1=O 1873142062 CKGPSZPXLHEPAH-UHFFFAOYSA-N 442.644 6.086 30 10 IKEE C=CCN1C(=O)C(Nc2cc(Cl)c(Cl)cc2Cl)=C(c2ccc(C)c(C)c2)C1=O 1873363960 HZVGJKMCGVALII-UHFFFAOYSA-N 435.738 5.642 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(OCC)cc2)=C(c2ccccc2)C1=O 1873413178 PSJVLAKMVMYGGG-UHFFFAOYSA-N 448.607 6.418 30 10 IKEE CCCCCCCCCCNc1ncnc2c1ccc(=O)n2-c1cccc(C(C)(C)C)c1 1873539422 JGOHAYHKXOLBPG-UHFFFAOYSA-N 434.628 6.631 30 10 IKEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3cccc(OCC(C)C)c3)c(=O)oc2c1 1873955810 PZBYRZVMOVSNGE-UHFFFAOYSA-N 449.547 5.662 30 10 IKEE C=C(C)CSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1ccccn1 1874206106 KLAKJFSXKGBEDZ-AUEPDCJTSA-N 434.352 5.109 30 10 IKEE C=C(C)CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccc(N(C)C)cc1 1874243550 LNPJTDVIZCIILO-JVWAILMASA-N 449.668 5.653 30 10 IKEE Cc1cccc(OCCCc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2)c1 1874247192 QYBFJRAYZPCFGD-ZXVVBBHZSA-N 442.588 5.773 30 10 IKEE CCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874263079 GVJXFMHAITYWIX-LSHDLFTRSA-N 441.771 5.812 30 10 IKEE CCCCC1CCC(c2nnc(SCCO)n2/N=C/c2ccccc2OCCC)CC1 1874287229 UHHMEVRFCLXXPW-XIEYBQDHSA-N 444.645 5.498 30 10 IKEE C=CCSc1nnc(CCc2ccccc2OC)n1/N=C/c1ccc(C(C)(C)C)cc1 1874313575 BEWYXSZCQTWPQO-NLRVBDNBSA-N 434.609 5.530 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCOc3ccccc3)n2/N=C/c2ccccc2)c1 1874346459 PNBXVFKZZRNMKW-OVVQPSECSA-N 442.588 5.691 30 10 IKEE CCCSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1ccc(Br)cc1 1874359461 IJUUQJUNYIUUIO-OEAKJJBVSA-N 443.414 5.633 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccccc2F)c1 1874402923 PQIVXUKPAMVPDC-JVWAILMASA-N 446.551 5.391 30 10 IKEE Oc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccc(F)cc2)cc1O 1874406832 XFDGDZIJYPTCCR-AFUMVMLFSA-N 440.544 5.126 30 10 IKEE C=CCSc1nnc(CC2CCCCC2)n1/N=C/c1cc(Br)ccc1F 1874409464 YJQVBBQMRXZONL-LPYMAVHISA-N 437.382 5.463 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccccc3)n2/N=C/c2cccc([N+](=O)[O-])c2)c1 1874426578 PJOVPEWYKYKNQD-BUVRLJJBSA-N 429.505 5.336 30 10 IKEE CCCSc1nnc(-c2ccco2)n1/N=C/c1ccc(OCc2ccc(C)cc2)cc1 1874468227 YIVBMTFPTLVEQI-PCLIKHOPSA-N 432.549 5.810 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(CC)cc1 1874480845 MEBZZDOMZGBZDF-AFUMVMLFSA-N 430.980 6.150 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CC(C)C)nnc1SCc1ccc(Cl)cc1 1874491494 ULPQGVJKYOHPGF-MFKUBSTISA-N 441.000 5.869 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(SCc2ccc(F)cc2)nnc1C1CCC1 1874493842 HBLYGSNMHIRSBP-JFLMPSFJSA-N 446.551 6.021 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CCC2)cc1OC 1874495772 DQDPCSKOFOKDNQ-ZMOGYAJESA-N 442.972 5.391 30 10 IKEE CCCOc1c(/C=N/n2c(CCC)nnc2SCc2ccccc2C)cccc1OC 1874504986 LGTNHRPSQVEHFX-PCLIKHOPSA-N 438.597 5.511 30 10 IKEE CCCOc1cccc(/C=N/n2c(CC)nnc2SCc2c(Cl)cccc2Cl)c1 1874525892 KUBBQQFKACNUEG-ZMOGYAJESA-N 449.407 6.111 30 10 IKEE CCCOc1ccccc1/C=N/n1c(S)nnc1COc1cc(Cl)ccc1Cl 1874569734 FIRLTYCWVAMEQV-SSDVNMTOSA-N 437.352 5.124 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2cccc(C)c2)cc1C 1874574366 IWKQBNXMPUZFHJ-ACCUITESSA-N 445.515 5.234 30 10 IKEE Cc1cccc(COc2ccc(Br)cc2/C=C/C(=O)c2ccccc2Cl)c1 1874575019 QPVQDRVZNIQSIC-PKNBQFBNSA-N 441.752 6.886 30 10 IKEE COC(=O)c1ccc(COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(Cl)cc2)o1 1874578189 AQZRPTWLMPQQNP-RUDMXATFSA-N 431.271 5.848 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2c(OCC(=O)Nc3nccs3)ccc3ccccc23)c1 1874580314 ICCQWOMSHPRDKQ-ZHACJKMWSA-N 442.540 5.827 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1cc(C)ccc1C 1874580641 YNZPIYRYRBPQMF-CCEZHUSRSA-N 443.587 6.380 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(F)cc1 1874583906 MDLVARZITGUIBE-FOCLMDBBSA-N 439.486 6.201 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3ccccc3F)c2)cc1Cl 1874599975 MRSCGWCAZFAYNO-JXMROGBWSA-N 426.871 5.971 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccc(C)cc1 1874606466 PDUYDEHCSFRAMV-XYOKQWHBSA-N 441.354 7.176 30 10 IKEE Cc1cccc(COc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2Br)c1 1874618087 JNCYGSNNUGJJTD-PKNBQFBNSA-N 435.361 6.849 30 10 IKEE CCCOc1c(Br)cc(/C=C/C(=O)c2cccc3ccccc23)cc1OCC 1874622929 CPBXCURWTKULLC-OUKQBFOZSA-N 439.349 6.686 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OCCO)c(OCC)c2)cc1 1874624442 DFRLSAWPLICUDO-OQLLNIDSSA-N 426.553 5.702 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)ccc1OCCc1ccccc1 1874634034 ILLWHUKTPGVIDW-PKNBQFBNSA-N 436.935 6.183 30 10 IKEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1[N+](=O)[O-] 1874635898 YVSLKFBOURJTIM-DHZHZOJOSA-N 439.508 5.429 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OCc1cccc(C)c1 1874638037 FVFCVNXCWOWVII-UXBLZVDNSA-N 427.327 6.786 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1OC(=O)c1cncc(C)c1 1874693343 AGMTYLPITSSNDV-YRNVUSSQSA-N 427.500 5.393 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(F)c(F)c3F)c2)cc1 1874697208 WQMCVHBVUVQCOD-QDEBKDIKSA-N 442.389 5.236 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cccc(OC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1 1874698971 WXKQPXNEHZUBJU-IUYQLWOBSA-N 436.891 5.618 30 10 IKEE CCCCCCCCC(=O)NCCCc1nn2c([C@H](C)c3ccccc3)nnc2s1 1874797620 YPZSHWMQNZTYLE-GOSISDBHSA-N 427.618 5.137 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(OC)c1OC(=O)c1ccccc1 1875104097 GDRPDSFWIXHIJD-CCEZHUSRSA-N 428.484 5.548 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3sccc3C)c([N+](=O)[O-])c2)cc1 1875106359 OQIQDCOOVDHCFV-XYOKQWHBSA-N 449.528 6.423 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)CC1CCCCC1 1875111269 BTMULPBUGYKLTE-VAWYXSNFSA-N 447.358 6.774 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)c1ccc(F)cc1 1875111756 PCJKTGMBPGVOJX-IZZDOVSWSA-N 445.273 6.256 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OC(=O)c1ccccc1 1875160204 FRSCKSQOJIWBPG-SDNWHVSQSA-N 444.527 6.117 30 10 IKEE C[C@H](Oc1ccc(Cl)cc1)C(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1 1875162023 SMYVPESDTKFPTF-IEWBSGLLSA-N 442.845 5.887 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1Br 1875170712 MVSMJMJQLOLFKS-CSKARUKUSA-N 445.353 6.066 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)C2CCC2)c(Br)c1 1875170982 ZSLXGZOBXPDODZ-VQHVLOKHSA-N 443.337 5.676 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)c1cccc(F)c1 1875176556 JWGMYTAWYIOJKX-ACCUITESSA-N 444.502 6.295 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3)cc2)c(OCC)c1 1875178000 PFNTYFSLPVMBFL-SFQUDFHCSA-N 430.500 5.528 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)C(C)(C)C)c(Br)c2)c(OC)c1 1875178389 HKEWRZTYBKXAER-UXBLZVDNSA-N 447.325 5.314 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCCC2(CCC2)[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CC1 1924816544 DVAVWTILCSICHL-BXKMTCNYSA-N 433.593 5.143 30 10 IKEE C=C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)(c1ccccc1)[C@@H](C)C(=O)O 1927433885 GVVGJRHCGZIHGV-XRHLQHRESA-N 427.500 5.327 30 10 IKEE C=C[C@](CCC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1927495984 UEGBQWSBEJRFDH-HHHXNRCGSA-N 427.500 5.471 30 10 IKEE CC[C@@](C#N)(CCNC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1936964438 AWDAUMLUWFDGNN-QFIPXVFZSA-N 437.968 5.669 30 10 IKEE Cc1cccc(C#N)c1NCCCONC(=O)OCC1c2ccccc2-c2ccccc21 1959289621 JYJPXKXTKFCLHB-UHFFFAOYSA-N 427.504 5.139 30 10 IKEE C[C@@H]1CC[C@@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)[C@H](OCc2ccccc2)C1 1977491853 RUGMZTKBFCIWGM-BLIXFSHQSA-N 426.479 5.454 30 10 IKEE COc1cc(C(=O)C=Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)cc(OC)c1OC 2053611415 LSWQYZBNXYWGQI-UHFFFAOYSA-N 448.475 5.285 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2076319570 UKSCWZOSXBEQPU-OSPHWJPCSA-N 447.551 5.497 30 10 IKEE N#Cc1cnc2c(-c3ccccc3I)c(C3CCCC3)nn2c1Cl 2081224453 GVWMQWQVKTWTKH-UHFFFAOYSA-N 448.695 5.184 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Cl)c(Br)c1F 2097192062 ZEDCYPFUHJDVST-WMLDXEAASA-N 447.776 5.199 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1ncoc1C(F)F 2111568665 WDJAOQRGICFVCM-LBPRGKRZSA-N 428.233 5.381 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(C)c(Br)s1 2137593659 WIUDAKZUZUANMG-AWEZNQCLSA-N 437.359 5.834 30 10 IKEE CCC[C@]1(CNc2ccc(C#N)c(Br)c2)CCCN(C(=O)OC(C)(C)C)C1 2162415710 QRJRJYGWAHACBK-OAQYLSRUSA-N 436.394 5.550 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2ccccc2c1Br 2180892028 SUDKKWXMVDFWFU-KRWDZBQOSA-N 433.346 5.400 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)C2=CC[C@H](C(C)(C)C)CC2)c1 2181549357 FZXYMCDUYCIRJH-INIZCTEOSA-N 436.390 6.751 30 10 IKEE N#Cc1c(F)cc(Br)cc1Nc1c(Cl)cc(Cl)cc1Br 2203120054 RZSZOQYRQFNEQX-UHFFFAOYSA-N 438.909 6.273 30 10 IKEE CCCN[C@@H](CC=CC#CC(C)(C)C)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256730388 DVNHROOXZLYINL-ZEQRLZLVSA-N 442.644 5.461 30 10 IKEE C=CCCC1([C@@H](NCCC)c2sncc2Br)CN(C(=O)OC(C)(C)C)C1 2266306762 AIXZYRANJPBJAG-INIZCTEOSA-N 444.439 5.150 30 10 IKEE C#C[C@@H](c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)N1CCCN(C)CC1 2270456135 AKRWVIBZVNXDNL-MHZLTWQESA-N 440.587 5.156 30 10 IKEE CC(C)(C)OC(=O)N(CC(=O)C#Cc1ccccc1Br)CC1CCCCC1 2288100674 SEXWPMSOZSOSDC-UHFFFAOYSA-N 434.374 5.187 30 10 IKEE CCOc1c(I)cc(C=C2Sc3ccccc3C2=O)cc1OC 2296373918 AWDPUWODVWOFJG-UHFFFAOYSA-N 438.286 5.028 30 10 IKEE C[C@@H]1Oc2ccccc2C=C1C=C1Oc2cc(OCc3cccc(Cl)c3)ccc2C1=O 2296869218 KOEWWJHCGXOYSZ-INIZCTEOSA-N 430.887 6.243 30 10 IKEE COc1ccc2c(c1)CC[C@H]1C2=NN(C(C)=CC(C)=O)[C@H]1c1ccc(Br)cc1 2297320999 ZXOVSPPEKNYKJJ-GMAHTHKFSA-N 439.353 5.274 30 10 IKEE COc1ccc(N=C2NC(=O)SC2=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 2314482811 WSPFCNXSHKHCGF-UHFFFAOYSA-N 444.434 6.502 30 10 IKEE COc1ccc(C(C)=C2SC(=Nc3nc(C)cs3)N(C3CCCCC3)C2=O)cc1 2314543819 NBOPTGSISIEGSQ-UHFFFAOYSA-N 427.595 5.787 30 10 IKEE COc1cccc(C=Nn2c(S)nnc2CC(C)(C)C)c1OCc1cccc(Cl)c1 2321937242 GOMJAJKZFHTHKS-UHFFFAOYSA-N 444.988 5.279 30 10 IKEE CC[C@H](C)N1COc2c(cc3c(c2C)OC(=Cc2ccc(-c4ccccc4)cc2)C3=O)C1 2322371084 SQYUFJDAMOOVBV-SFHVURJKSA-N 425.528 6.229 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(Cl)cc1C=CC(=O)c1cccc(OC)c1 2322373925 IQUYEGPWLWVIQO-UHFFFAOYSA-N 449.934 5.825 30 10 IKEE O=C(C=Cc1cc(Br)ccc1OCc1cccc(F)c1)c1ccccc1Cl 2322436540 JQPSDPOSBTUSBW-UHFFFAOYSA-N 445.715 6.717 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cc(Br)ccc2OCCc2ccccc2)c1 2322615722 PGNUMWAPKZQSTF-UHFFFAOYSA-N 435.361 6.584 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cc(Cl)ccc2OCc2ccccc2F)c1 2322662840 HMHWFEBJOGHSNT-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE CCN(CC)C(=O)COc1c(C=CC(=O)c2ccc(C(C)C)cc2)cc(Cl)cc1OC 2322736448 FAFQWHVIFVFNKB-UHFFFAOYSA-N 443.971 5.615 30 10 IKEE CCCCCCCCCOc1ccc(C=NNc2ccc(OC)c(Cl)c2)c(Cl)c1 2322926360 KJDUYJJCNGFKCV-UHFFFAOYSA-N 437.411 7.577 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cc(Cl)ccc1OCc1cccc(F)c1 2323022890 YFONQQFCBHPNFM-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1OCC(=O)Nc1ccccc1F 2323120197 FPLFSLBCBKKDHP-UHFFFAOYSA-N 439.870 5.401 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(=O)c4ccc(C)c(C)c4)cc(C)c3C2=O)c1OC 2323247574 OZLYGFPHJGTWRH-UHFFFAOYSA-N 444.483 5.464 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)c(OC)c1 2323283627 SIBDEQFTPLGLCU-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE Cc1nnc(S)n1N=Cc1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1 2323464846 RXLZYLCUYRADAF-UHFFFAOYSA-N 436.544 5.277 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2OC)cc(OC)c1OCc1ccc(F)cc1 2324010109 IROFFZRBVNCBOM-UHFFFAOYSA-N 446.518 6.355 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(ccc(OCCOc4ccccc4)c3C)C2=O)cc1 2324220889 DNUQSIQAGQFFPF-UHFFFAOYSA-N 443.543 5.915 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OCC(=O)Nc1ccc(F)cc1 2324261620 RVBGBVKYWQJYKF-UHFFFAOYSA-N 441.405 5.026 30 10 IKEE CCOc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccc(F)cc4)ccc3C2=O)cc1 2324305841 RRBNSOCJZZJSBA-MRXNPFEDSA-N 447.462 5.247 30 10 IKEE CCOc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccccc1)C2=O 2324325246 LSQQRWNGOPZAET-GOSISDBHSA-N 443.499 5.416 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCCCCOc4ccccc4C)cc(C)c3C2=O)cc1 2324598829 MKCWYUDXCUTVBS-UHFFFAOYSA-N 428.528 6.466 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccccc4C)c3C)C2=O)cc1 2325714706 XSSPBTXCWIEEMW-UHFFFAOYSA-N 427.500 5.500 30 10 IKEE O=C(COc1cc(F)ccc1F)Oc1cccc(C=CC(=O)c2cccc3ccccc23)c1 2325750190 UXAWPEXRKCFRGX-UHFFFAOYSA-N 444.433 5.999 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1cccc(C=CC(=O)c2ccc(F)c(F)c2)c1 2325753481 MUUDNFKDYYMFDE-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE O=C(C=Cc1cccc(OC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)c1)c1ccc(F)c(F)c1 2325753631 JHUHQBJARJWTNZ-WOJBJXKFSA-N 438.857 6.223 30 10 IKEE C=CCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1cccc(OC)c1O 2326607977 ISMIJENHJKSIES-UHFFFAOYSA-N 444.560 5.091 30 10 IKEE CC(C)(C)OC(=O)N[C@@]1(C)C[C@H]2CC[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 2327836517 KMUVJGPGRAHHOG-HCSNEJDQSA-N 447.620 5.532 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3)n2N=Cc2cccc(F)c2)cc1C 2328945514 AGNIIALRBIDQHD-UHFFFAOYSA-N 444.579 5.994 30 10 IKEE Cc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2[C@H](C)c2ccccc2)cc1 2330136095 VNEYAATXSGLOBU-LJQANCHMSA-N 447.007 6.566 30 10 IKEE O=C(COCc1ccccc1)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1 2330805406 IIBUVFJPUDXXJE-UHFFFAOYSA-N 441.310 6.012 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)cc1 2330952945 OLUKDZWFTQAUCF-UHFFFAOYSA-N 430.544 6.103 30 10 IKEE Fc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2[C@@H]2CCCO2)c(F)c1 2330994437 BAAWJHYEPYFQOO-SFHVURJKSA-N 434.899 5.236 30 10 IKEE Oc1ccc(Cl)cc1C=Nn1c(SCc2ccccc2Cl)nnc1C1CCCC1 2331077656 RBARQURAGKOIIM-UHFFFAOYSA-N 447.391 6.123 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1 2331138493 XXVNINZHXPUQOA-UHFFFAOYSA-N 434.919 6.309 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)c1ccc(F)cc1F 2331183361 AGHPPVUTLDCVRU-UHFFFAOYSA-N 434.438 5.817 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)cc2F)cc1)c1ccc(Cl)c(Cl)c1 2331240155 XZKPPILHDFRIHU-UHFFFAOYSA-N 433.237 6.387 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)COc1cccc(C)c1C 2331293186 DRHRKFNMVVCGSK-UHFFFAOYSA-N 430.500 5.501 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)[C@H]3C[C@H]3c3ccccc3Cl)cc2)ccc1F 2331333078 UKNLXAXCGLEBDH-VXKWHMMOSA-N 434.894 6.393 30 10 IKEE CCOc1cc(C=Nn2c(CC(C)C)nnc2SCc2ccccc2Cl)ccc1O 2331456531 ABARGIPKPMTFCN-UHFFFAOYSA-N 444.988 5.409 30 10 IKEE CC(C)Cc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1cccc([N+](=O)[O-])c1 2331481021 UIARDQYYDUXMED-UHFFFAOYSA-N 447.923 5.352 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)c1ccncc1 2331531974 FRCMAVUZTUTWKV-UHFFFAOYSA-N 425.843 5.388 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OC(=O)C(C)(C)C 2331550422 ZNKMCGVCOAHVDT-UHFFFAOYSA-N 438.564 6.239 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1ccc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1 2331659377 UMXUBORNBDYYGO-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1ccccc1Cl 2331709485 ZWAQHNPROMWZIM-UHFFFAOYSA-N 434.919 6.471 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)Cc2cccs2)cc1 2331752374 FMCCNNBULGHTTA-UHFFFAOYSA-N 426.921 5.763 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)ccc1OC 2364622992 WXVMLWVUKATVPQ-MJGOQNOKSA-N 441.410 5.358 30 10 IKEE Brc1ccc(/C=N/c2ccccc2/N=C/c2ccc(Br)cc2)cc1 3207012 UPOFKLGWZOITCC-RNIAWFEPSA-N 442.154 6.713 30 10 IKEE Cc1[nH]c2ccccc2c1/C=N/n1c(-c2ccco2)cs/c1=N\c1cccc(Cl)c1C 12565198 IQWMWHUWACXJKI-VGBJIXNSSA-N 446.963 6.676 30 10 IKEE C=CCNC(=O)c1cccc2c1N[C@@H](c1ccc3c(c1)c1ccccc1n3CC)[C@@H]1CC=C[C@H]21 13642699 VIKGYRWXPGDTTC-PGKWVRKKSA-N 447.582 6.557 30 10 IKEE COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccc(OC)c2)C3)cc1 20882774 KSKBAHASPASGNT-WINIVTDRSA-N 426.516 5.683 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccncc2)cc1OC 20883584 QMZNMBTYIPKJOB-WINIVTDRSA-N 441.531 5.468 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc3ccccc3c2)cc1 21257788 WPQBDNYUSKCVGT-UPVQGACJSA-N 425.528 5.633 30 10 IKEE COc1ccc(C(=O)/C=C\c2cccs2)c(OC(=O)c2ccccc2Br)c1 33441846 VASFOVJRNSHEME-LUAWRHEFSA-N 443.318 5.635 30 10 IKEE O=C1/C(=C/c2ccc(Cl)c(Cl)c2)Oc2cc(OCc3c(F)cccc3Cl)ccc21 33513988 IJUFPJFNDMMSKS-NKVSQWTQSA-N 449.692 6.981 30 10 IKEE CCCCOc1c(Cl)cc(C(=O)c2c(C)c(C#N)c(=O)n(C(C)C)c2O)cc1Cl 38617133 OYNDYPLMDCZWNF-UHFFFAOYSA-N 437.323 5.032 30 10 IKEE CCCCCCn1c(O)c(/N=N/c2ccc(OCC)cc2[N+](=O)[O-])c(C)c(C#N)c1=O 39871212 NGESLUNUVQAKMR-WCWDXBQESA-N 427.461 5.037 30 10 IKEE C=C(C)C(=O)NCCCCCc1nc2ccccc2n1CCCOc1cc(C)cc(C)c1 40219811 AVEOXOBHABAPRG-UHFFFAOYSA-N 433.596 5.527 30 10 IKEE Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1Nc1ncnc(OC(C)C)c1N 40688768 MQZWUOQWVJICMN-QGZVFWFLSA-N 442.350 5.860 30 10 IKEE Cc1ccccc1/C=N\N=C1\S/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccco1 47138661 BMJBJCSURYQOJP-TZOGYSKPSA-N 446.488 5.003 30 10 IKEE Cc1nn(Cc2ccccc2)c(C)c1/N=C/c1c(O)ccc2cc(Br)ccc12 59858881 LWLOWMBYTMCNTC-DHRITJCHSA-N 434.337 5.920 30 10 IKEE Cc1cc(O)c(/N=C/c2cc(Cc3ccccc3Cl)cc(Br)c2O)cc1C 100132770 KIBPQVOMHVYXAY-BRJLIKDPSA-N 444.756 6.472 30 10 IKEE CCCCCCCCCCCCCC(=O)Nc1cccc(C(=O)NCc2ccco2)c1 100442435 SRZIPXXPWVNUSP-UHFFFAOYSA-N 426.601 6.849 30 10 IKEE CCCCCCCCc1c(C)nn(C(=O)COc2ccc(Br)cc2C)c1C 100458869 YITZQTQZEWOOQO-UHFFFAOYSA-N 435.406 6.193 30 10 IKEE C=CCOc1ccc(NC(=S)NC(=O)c2sc3cc(OC)ccc3c2Cl)cc1 100464733 YSEDMSYMOWRXLO-UHFFFAOYSA-N 432.954 5.255 30 10 IKEE CCCCCCCCCCn1c([C@@H]2CC(=O)N(c3cc(C)ccc3C)C2)nc2ccccc21 102200987 TWBDABDIJNTSTH-XMMPIXPASA-N 445.651 7.314 30 10 IKEE CCCCCCCN1C(=O)[C@H](C)Oc2ccc(-c3csc(Cc4ccccc4)n3)cc21 103755256 TUDPJUJQBBYWKX-IBGZPJMESA-N 434.605 6.485 30 10 IKEE Cc1ccc(C)c2c1NC(=O)/C2=C1\S/C(=N\c2ccccc2)N(c2ccccc2)C1=O 103911294 UPYQLDIQRLVHEO-RCBTVRNASA-N 425.513 5.434 30 10 IKEE CNC(=O)c1ccc(/C=C/C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 107879245 SCQKSAPVSWTZIA-UBLKFNIESA-N 429.907 5.007 30 10 IKEE CCCOc1c(/C=N\Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cccc1OC 169943084 JQTWKCSMLKOUPU-QRVIBDJDSA-N 427.526 5.071 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)cc1 170057780 MFRICGIUXWEVOM-QFIPXVFZSA-N 435.882 5.824 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2OC)cc1C 170122625 ANDGVWHSGOAKDX-XMMPIXPASA-N 443.499 5.104 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2cccs2)cc1C 170158009 KMQYXEHWASNSFD-XMMPIXPASA-N 443.568 6.027 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2cccs2)cc1C 170158151 XYRJQCZPAWPARO-DEOSSOPVSA-N 439.536 6.301 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2cccnc2)c1 170185237 ASMGYPYTWOLPNC-VWLOTQADSA-N 434.495 5.635 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccncc2)c1 170202774 FSSRZKMUQUMMGG-VWLOTQADSA-N 434.495 5.635 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccccc2)cc1 170223793 DSMZWWMUKUYSFZ-VWLOTQADSA-N 441.527 5.875 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccccc2)cc1C 170225233 ZGJAXTVLIJHLOH-RUZDIDTESA-N 441.527 5.874 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccc(F)cc2)c1 170240103 UJBRNVWNJRSRGN-QHCPKHFHSA-N 431.463 5.316 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(F)cc1 170242386 KWAAFMOCBUDTRM-DEOSSOPVSA-N 449.566 6.343 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@H]1c1ccc(Cl)c(Cl)c1 170246715 IZRYEHQCORCKFW-GOSISDBHSA-N 438.282 5.129 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1c[nH]c2ccccc12)c1cccc2ccccc12 170256450 FHOISUYFWNVIGQ-RUZDIDTESA-N 436.511 5.842 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)=C(O)C(=O)N1c1ccc(F)cc1 170271283 OQKRHYKPBBNYEO-VOIUYBSRSA-N 443.474 5.240 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cccc3ccccc23)c1 170369197 HMOXURANTSFMSZ-HSZRJFAPSA-N 441.508 5.693 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1cccc(Oc2ccccc2)c1 170455635 YJICPXXSIUVZLU-HSZRJFAPSA-N 447.487 5.075 30 10 IKEE CCCC[C@H](CC)COC(=O)Nc1c(C#N)cnn1-c1cc(C)c2cc(C)cc(C)c2n1 170508809 IALLWGGMZYXSPB-IBGZPJMESA-N 433.556 5.982 30 10 IKEE Cc1cc(C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c2cc(F)ccc2n1 170577283 AMMMINXCOYGQCV-UHFFFAOYSA-N 447.469 6.733 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(OC)c(Br)c2)SC1=Nc1ccc(C)c(C)c1 252634792 WQVAFROCZAAHDK-PXWOKZSGSA-N 445.382 5.698 30 10 IKEE CN1/C(=C2/SC(=Nc3ccccc3O)N(C3CCCCC3)C2=O)Sc2ccccc21 254305310 GBILBIULZNPRHV-JSYGVCDLSA-N 437.590 5.699 30 10 IKEE Cc1nnc(NN=Cc2ccc(C(C)(C)C)cc2)nc1NN=Cc1ccc(C(C)(C)C)cc1 254382045 OJNFOSKTWZLIJH-UHFFFAOYSA-N 443.599 5.667 30 10 IKEE CCCOc1ccc(C=NNc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)n2)c(O)c1 254906877 SXSJPVXGWQMVCH-UHFFFAOYSA-N 442.494 5.890 30 10 IKEE COc1ccc(N=C2S/C(=C/c3cccc([N+](=O)[O-])c3)C(=O)N2c2ccccc2)cc1 263631067 WZZSPOUHQOABOC-QQAFOXPBSA-N 431.473 5.412 30 10 IKEE C=CCCCCC[C@@H](NCCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 406580915 VYCSWPBYBIWNIB-HXUWFJFHSA-N 439.438 6.973 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccc(C)c2)c1 526489983 YLIJPCURSSLHRA-AREMUKBSSA-N 438.527 6.103 30 10 IKEE CC(C)COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccnc2)cc1 526604918 MBXHEVJSPFUYNE-XMMPIXPASA-N 425.488 5.045 30 10 IKEE CC(C)c1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccccc2)cc1 526799576 GUQTVRYFZVCUQD-IMRQLAEWSA-N 426.589 6.167 30 10 IKEE CCOc1cccc(/C=N\n2c(CC)nnc2SCc2c(Cl)cccc2Cl)c1 526815432 WCVAUYWUKMCUHZ-FMCGGJTJSA-N 435.380 5.721 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1ccc(C(=O)O)cc1 526824021 GPHMMYFJPOLVFQ-KSEXSDGBSA-N 449.363 5.410 30 10 IKEE CCc1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(OC(C)C)cc2)cc1 586259284 MMAFYFPSJWQHPC-UHFFFAOYSA-N 434.561 5.303 30 10 IKEE CCCCCCC[C@@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 693654534 JAQSMNGSYUXJKC-SQHAQQRYSA-N 445.692 5.885 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1cnn(C(C)(C)C)c1 698453812 GYBYOXBYPUNIOA-QGZVFWFLSA-N 433.350 5.407 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@]1(C#N)[C@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C1(C)C 703311544 KUCRNZDMTWYXGB-LLJLJFOGSA-N 435.609 5.197 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CC[C@@H]2CCCC[C@@H]2C1 723615747 SETIVPJIYJDCCW-GSHUGGBRSA-N 433.390 6.443 30 10 IKEE Fc1c(F)c(F)c(NN=Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)c(F)c1F 1081123531 CLOANCFSIPXXEX-UHFFFAOYSA-N 449.810 6.485 30 10 IKEE C=CCc1cccc(C=NN2C(=O)c3ccccc3N[C@@H]2c2cccc(CC=C)c2O)c1O 1083894892 GCSOQTVZDUNLIC-SANMLTNESA-N 439.515 5.155 30 10 IKEE C=C(C(=O)c1ccccc1)[C@@H](c1ccccc1)[C@@H](CN1CCCCC1)C(=O)c1ccccc1 1088715410 XLNXTWALOUGVKR-IZLXSDGUSA-N 437.583 6.194 30 10 IKEE C[C@@H]1CCCCN1/C(=N/C[C@@H]1CCC[C@@H](CN)C1)Nc1ccc(OCc2ccccc2)cc1 1088736258 PZHNPGMQEPZCPR-QLBJFCOMSA-N 448.655 5.673 30 10 IKEE C=CCOc1ccccc1CN(C(=O)c1ccc2c(c1)nc(O)n2C)c1ccc(C)c(C)c1 1627425288 DVTWJWAQFOTBDU-UHFFFAOYSA-N 441.531 5.308 30 10 IKEE CCOc1ccccc1NC(=O)c1oc2c(c1C)C(=NNc1ccccc1)CC(C)(C)C2 1772728524 KUKSUGUAABWESX-UHFFFAOYSA-N 431.536 6.028 30 10 IKEE Cc1c(N=Nc2ccc(Cl)c(Cl)c2)c(O)n(CCc2ccccc2)c(=O)c1C#N 1772741404 LIENIJOYPNJWHT-UHFFFAOYSA-N 427.291 5.699 30 10 IKEE O=C1/C(=C/c2ccccc2O)SC(=NN=C/C=C\c2ccccc2)N1Cc1ccco1 1772759249 OHXAKHBGIKAREN-PYOZCADRSA-N 429.501 5.157 30 10 IKEE CCCCCCCCCOc1cccnc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1858749920 BVHSXSLHIYYLBM-UHFFFAOYSA-N 430.461 5.280 30 10 IKEE COc1cccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)nn2Cc2ccc(Cl)cc2)c1 1859404267 QTHKOAMMWFOQBM-UHFFFAOYSA-N 442.906 5.384 30 10 IKEE Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)CCCc3ccc(F)cc3)cc(C)c2c1 1859656988 MOVDDKYIAGFTJL-UHFFFAOYSA-N 441.510 5.318 30 10 IKEE CCCCCCCCCCNC(=O)c1cc(CCCC)n(-c2cccc3ccccc23)n1 1862323179 QVNZWPKTCYUVRE-UHFFFAOYSA-N 433.640 7.239 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@H]2c2ccccc2Cl)cc1 1862392235 SFBNTNOMRJAJOO-QFIPXVFZSA-N 425.956 6.061 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(C(C)(C)C)cc1 1862420622 OYWHHGPSEABKTM-NRFANRHFSA-N 427.491 5.641 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc(O)c1 1862430381 JEFVRNZLMDZTSO-QRQCRPRQSA-N 433.891 5.385 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(Cl)c1 1862446362 QJTPDFZWYUUFMG-FQEVSTJZSA-N 432.347 6.152 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1c(Cl)cccc1Cl 1862452204 XDFLVLOJNFJCGD-VOJFVSQTSA-N 438.738 6.024 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccccc1C 1862468462 PRCBQQJRUPMLLN-KUHUBIRLSA-N 428.326 5.134 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OCC)cc1 1862478617 MAKXELHJXXEWEX-RCZVLFRGSA-N 449.591 6.331 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2cccc(F)c2)cc1 1862488472 AOICYDUJXDBTIP-DEOSSOPVSA-N 445.490 5.230 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 1862491850 DACQTFZROVFDDH-AMHTUMDSSA-N 448.519 5.369 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(F)cc1F 1862503439 XRPZJUSOBHGXCT-OAQYLSRUSA-N 431.454 5.571 30 10 IKEE O=C(C1=C(O)C(=O)N(C23CC4CC(CC(C4)C2)C3)[C@H]1c1cccc(F)c1)c1cccc(O)c1 1862590483 JSYWMIQWZDLSSP-TVQFERKRSA-N 447.506 5.078 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccccc1Cl 1862594391 DDZDJIKTXZSVAS-JTSKRJEESA-N 441.955 5.983 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 1862618166 QVTIHWSKZKGSJC-HSZRJFAPSA-N 445.515 5.364 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1c(F)cccc1Cl 1862644676 QHAAQKNYXYUHFB-IBGZPJMESA-N 435.854 5.005 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc(F)c1 1862650253 RFNIADFOIBERCU-LAMXGVLKSA-N 443.518 6.136 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2ccccn2)cc1 1862659631 BLJALINQKKOYBO-XMMPIXPASA-N 426.516 5.292 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2cccc(F)c2)cc1 1862662828 LRWLNHMNDAROKS-DEOSSOPVSA-N 447.481 5.867 30 10 IKEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2cccc(O)c2)cc1 1862732769 LASDZACKLFVBDX-XMMPIXPASA-N 449.547 5.482 30 10 IKEE COc1cccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3cccc4ccccc34)C2=O)c1 1862840231 CYXBMEGIBNXVIP-UHFFFAOYSA-N 445.478 5.117 30 10 IKEE COc1ccccc1C1=C(Nc2cccc(C#N)c2)C(=O)N(c2ccc(C(C)C)cc2)C1=O 1863060368 UWUNTMSHNXSWEW-UHFFFAOYSA-N 437.499 5.087 30 10 IKEE Cc1cc(C2=C(Nc3ccc(C)c(Cl)c3)C(=O)N(c3cccc(C#N)c3)C2=O)ccc1F 1863094931 ICVUNYXSXBVXJE-UHFFFAOYSA-N 445.881 5.364 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(C)cc2)C1=O 1863269751 RIELAWRXXYJUPH-UHFFFAOYSA-N 443.591 6.199 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C)c(C)c2)=C(c2c[nH]c3ccccc23)C1=O 1863486851 GITTYDKRGXEZSK-UHFFFAOYSA-N 443.591 6.337 30 10 IKEE CCCCCCCCCCNC1=C(c2cc(OC)ccc2OC)C(=O)N([C@@H](C)CC)C1=O 1863716467 GMADUIYXXUNORF-IBGZPJMESA-N 444.616 5.313 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 1866030093 YOTHWZQWUAQWHF-UHFFFAOYSA-N 442.644 7.112 30 10 IKEE CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(C#N)cc2[N+](=O)[O-])cc1 1866081806 DWFIHCLMTUNXLW-UHFFFAOYSA-N 442.475 5.269 30 10 IKEE CC(C)c1nc(Nc2cccc(C#N)c2)cc(N2CCC(Oc3cccc(Cl)c3)CC2)n1 1868220893 AYGNZHOCQAQOPN-UHFFFAOYSA-N 447.970 5.916 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](CCCC)NC(=O)C[C@H](c1ccc(C(C)C)cc1)C(C)C 1868704544 KALWLROHRCOAOP-LOSJGSFVSA-N 426.645 5.815 30 10 IKEE C=CCn1cc(OCc2cccc3ccccc23)c(=O)cc1CSCc1ccccc1 1870278084 WGMFKSMMDZCGGN-UHFFFAOYSA-N 427.569 6.200 30 10 IKEE C=CCOc1cn(CCN(CC)CC)c(CNc2ccc(-c3ccccc3C)cc2)cc1=O 1870811451 ZWHSIZYRQQQUBG-UHFFFAOYSA-N 445.607 5.342 30 10 IKEE C=CCn1cc(OCCCOc2ccccc2)c(=O)cc1CNc1ccc(C(C)(C)C)cc1 1871085218 JRXVTENMFIPUCL-UHFFFAOYSA-N 446.591 5.792 30 10 IKEE CCCCCCCCn1cc(OCCCCCC)c(=O)cc1CNc1ccc(C)cc1 1871125083 LBYSZOBMTPKKCW-UHFFFAOYSA-N 426.645 7.088 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCCC)c(=O)cc1CNc1ccc(F)cc1 1871234692 HXAAZNQSNZCGQP-UHFFFAOYSA-N 446.563 5.292 30 10 IKEE Cc1ccc(CCC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)cc1 1871367548 QISMUABBOCCDHK-CFRMEGHHSA-N 442.467 5.187 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)COc4ccc(C)cc4)cc(C)c3C2=O)cc1 1871369880 JMYDKCRVRYEUOU-OYKKKHCWSA-N 428.484 5.466 30 10 IKEE CCCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 1871378455 NOULKSIIVXRODV-NCEOBYAFSA-N 444.458 5.850 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4cccc(OCC(C)C)c4)c3C)C2=O)cc1 1871380820 DNABWQFNRBMPGM-QFEZKATASA-N 442.511 6.174 30 10 IKEE Cc1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)c1C 1871414389 UQAFLJHSTNCMQQ-GHRPQRKGSA-N 447.918 5.979 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2c(c1C)O/C(=C\c1ccccc1Cl)C2=O 1871430960 QONHFVUFOSEKNY-STZFKDTASA-N 427.928 5.292 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(O[C@@H](C)C(=O)Nc3c(C)cccc3C)c2C)C1=O 1871431379 RNNTZCLCDUNAKF-ORQKMDSUSA-N 441.527 5.942 30 10 IKEE N#Cc1ccccc1COc1ccc2cc(-c3nc(-c4ccccc4)cs3)c(=O)oc2c1 1871437213 MLKBOPYVQWAQJG-UHFFFAOYSA-N 436.492 6.034 30 10 IKEE CC(C)OC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)o1 1871439299 RHMCIKPREBGRRI-CFRMEGHHSA-N 447.487 5.106 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[C@H](C)CC)S(=O)(=O)CCCC 1871799453 VHYSWQMZRSKISF-DNVCBOLYSA-N 449.444 5.355 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C(C)C)cc1)c1ccccc1)S(=O)(=O)CCC 1871843694 JLSSFDXZQPUMJO-HSZRJFAPSA-N 428.598 5.108 30 10 IKEE N#C[C@H](C(=O)Cc1ccc(Br)cc1)c1nc(-c2ccc3ccccc3c2)cs1 1872760474 PJIUGLKIPCXKLZ-HXUWFJFHSA-N 447.357 6.145 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)Cc2cc(C)ccc2C)n1 1872777779 WAQRTQCEPIXXSN-NRFANRHFSA-N 432.589 6.152 30 10 IKEE Cc1cc(C)c(-c2csc([C@H](C#N)C(=O)c3ccc4nc(C)c(C)nc4c3)n2)c(C)c1 1872786455 KUIMWQWCRNJCRH-LJQANCHMSA-N 426.545 5.785 30 10 IKEE COc1ccc(Cl)cc1C(=O)[C@H](C#N)c1nc(-c2cc(Cl)ccc2OC)cs1 1872788302 GIDFULQYHJKRHJ-HNNXBMFYSA-N 433.316 5.624 30 10 IKEE CCCCCCCSc1nc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2[nH]1 1872821865 YEXCYKJUCCQRLA-UHFFFAOYSA-N 436.625 5.588 30 10 IKEE CCOc1ccc(NC(=O)c2cccc(CSc3nc(C)c(C)c(C)c3C#N)c2)cc1 1872893125 IMDPPKCBHUWEGH-UHFFFAOYSA-N 431.561 5.822 30 10 IKEE CCCCCCCCN1C(=O)C(NC2CCCCCCC2)=C(c2ccccc2F)C1=O 1873030912 CHUDXQSHAAXHOG-UHFFFAOYSA-N 428.592 5.969 30 10 IKEE C=CCNC1=C(c2ccc(-c3ccccc3)cc2)C(=O)N(Cc2ccccc2Cl)C1=O 1873085979 QASLSGSXJHRMAK-UHFFFAOYSA-N 428.919 5.063 30 10 IKEE Cc1cc(C)c(C2=C(Nc3ccc(C#N)cc3)C(=O)N(Cc3ccc(F)cc3)C2=O)c(C)c1 1873327104 GRNAZJYWXPMKHL-UHFFFAOYSA-N 439.490 5.015 30 10 IKEE C=CCSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1ccc(Cl)cc1 1874209926 XXAAQVGGRSFTMV-LPYMAVHISA-N 447.789 5.445 30 10 IKEE CCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccc(Cl)cc1 1874215693 FMWOLIDFSLOZED-OEAKJJBVSA-N 435.380 5.591 30 10 IKEE C=C(C)CSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1ccc(O)c(O)c1 1874288178 RBOAIPQBEVDPHL-ZVHZXABRSA-N 428.602 5.704 30 10 IKEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3cccc(C)c3)nnc2-c2ccccc2)c1 1874426472 KFVLGZBIDKLDSK-WGOQTCKBSA-N 441.560 5.175 30 10 IKEE CCOc1cc(/C=N/n2c(SCc3cccc(C)c3)nnc2-c2ccccc2)ccc1O 1874426889 FZTPXMJSVWBMCE-WGOQTCKBSA-N 444.560 5.532 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccccc3)n2/N=C/c2ccc(N(C)C)cc2)c1 1874427177 UQTPQAYELAPSNR-YZSQISJMSA-N 427.577 5.494 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1c[nH]c2ccccc12 1874439176 NSHJRVBFNIXJLG-AFUMVMLFSA-N 448.552 5.431 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C2CCCC2)c1 1874454286 JIFNJKFXHQFDSV-OEAKJJBVSA-N 437.525 5.027 30 10 IKEE CCCOc1c(/C=N/n2c(SCc3ccccc3)nnc2-c2ccco2)cccc1OC 1874466209 CDQJRJZYMKLBTI-PCLIKHOPSA-N 448.548 5.510 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/n2c(S)nnc2C(C)C)cc1OCC 1874558589 MOMWMHAMVCHQAW-JJIBRWJFSA-N 432.634 6.101 30 10 IKEE Sc1nnc(CCc2ccccc2)n1/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 1874560817 QNLIVNOLVOEHLH-WGOQTCKBSA-N 448.979 5.467 30 10 IKEE Cc1ccc(COc2ccc(/C=N/n3c(S)nnc3Cc3ccc(Cl)cc3)cc2)cc1 1874564390 CGDVUJARAOQRJC-CVKSISIWSA-N 448.979 5.581 30 10 IKEE Sc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874570053 LUMHFNVHGZBPQD-SSDVNMTOSA-N 441.771 5.421 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(F)cc2F)c1OCc1cccc(Cl)c1 1874576665 ZMBXCBSRHYEJMS-VMPITWQZSA-N 449.280 6.755 30 10 IKEE CC(C)COC(=O)COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1Cl 1874615497 BDTJWLQVNRWXIP-XVNBXDOJSA-N 441.738 6.121 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OCc1ccc(C)cc1 1874624288 VIBRIDUIWZCHCW-XNTDXEJSSA-N 448.990 7.646 30 10 IKEE CCCOc1c(OC)cc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1OC 1874637395 XSUKTAQXRUJXAZ-VOTSOKGWSA-N 425.308 5.704 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)ccc1OCc1ccc(F)cc1 1874637522 DRWDTBYGJZUEIQ-XYOKQWHBSA-N 434.507 6.325 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)C23CC4CC(CC(C4)C2)C3)c1)c1cccc([N+](=O)[O-])c1 1874692376 COCOFQDYNJSDQU-BQYQJAHWSA-N 431.488 5.613 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 1874698452 XBEQRLNZTYIVCS-FRKPEAEDSA-N 429.472 6.008 30 10 IKEE COc1cccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c(C)c3C)c2)c1 1874711598 CTKDPVDIUFFBGA-SDNWHVSQSA-N 444.527 5.755 30 10 IKEE COc1cc(C(=O)/C=C/c2ccc(OC)c(OC(=O)C3CCCC3)c2)c(OC)cc1Cl 1874712656 ZQIJYCQLSPDOHS-CSKARUKUSA-N 444.911 5.358 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cccnc3)c2)c1 1874713013 BHHZSZMMDZYRBO-DHZHZOJOSA-N 447.487 5.003 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cccc(C)c3)c2)cc1Cl 1874717051 WXDKCWJCXPEBJJ-JXMROGBWSA-N 436.891 5.781 30 10 IKEE CCCCCCCCC(=O)Oc1cccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)c1 1874717811 DIQBENWSBHRPPW-HTXNQAPBSA-N 444.571 7.401 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 1875084798 AEFNLZCTSAKBAS-LFIBNONCSA-N 445.471 5.428 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(Cl)c1OC(=O)CC(C)C 1875095616 YSCCHOKJWKXEHN-FMIVXFBMSA-N 436.935 6.740 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1ccncc1 1875097829 FFERZXOKFQQDPH-YRNVUSSQSA-N 427.500 5.474 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3)c(Cl)c2)cc1 1875106975 TYGNDDQZUVHWLQ-SFQUDFHCSA-N 446.974 7.117 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1Cl 1875113770 XBYKTMUNLNNSCR-ZRDIBKRKSA-N 427.283 6.117 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)COc1c(C)cccc1C 1875128747 SBXXESWGLRLIFS-FYWRMAATSA-N 430.500 5.583 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)COCc1ccccc1 1875133722 IPZBCFCCHYEWHN-SDNWHVSQSA-N 444.527 5.720 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C2CC2)c(Br)c1)c1ccc(Cl)c(Cl)c1 1875135434 PVPBRMCYJPJWTR-LREOWRDNSA-N 440.120 5.967 30 10 IKEE CC(C)c1ccccc1OCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1 1875157852 REGLYBFVBYNMNC-WOJGMQOQSA-N 446.518 6.610 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)c1ccccc1C 1875163480 MOMXKTFAQVCARM-JLHYYAGUSA-N 448.465 6.126 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)CCc3ccc(Cl)cc3)cc2)cc1C 1875186575 BWROGXRPZVWIRD-RIYZIHGNSA-N 448.946 6.400 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N1CCCCCC1)n2CCCOC 1875221899 KNORANSKESCXKG-UHFFFAOYSA-N 443.636 5.256 30 10 IKEE N#C[C@@]1([C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCCC12CC2 1875636241 ZRSXTMTZNKRJLW-LMSSTIIKSA-N 439.555 6.352 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1926492684 LYXFKENMWJQHQH-IVZQSRNASA-N 435.952 5.231 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCC[C@H]2CNC(=O)OC(C)(C)C)cc1 1944589393 QBKYWYJBJFSBBM-UUOWRZLLSA-N 429.561 5.324 30 10 IKEE CC(C)C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCC1 1944820498 MVDWIELPVFOBTQ-MHECFPHRSA-N 435.609 5.341 30 10 IKEE CC(C)(C)OC(=O)NCC1CC2(C1)CC(C#N)(N(C(=O)OC(C)(C)C)C1CCCC1)C2 2000797557 ZYGPFHZPMWLXQJ-UHFFFAOYSA-N 433.593 5.143 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCC[C@@H]2OCc2ccccc2)cc1 2043762663 NBEWLIMCLVIGIA-OZXSUGGESA-N 436.552 5.858 30 10 IKEE CCC(=O)/C=C/c1cc(Br)c(OCc2ccc(F)cc2Cl)c(OC)c1 2060405864 NFNBNMZZEGADNF-QPJJXVBHSA-N 427.697 5.822 30 10 IKEE CC(C)(C)C#Cc1cc(I)c(C(=O)OCC[Si](C)(C)C)s1 2060410534 RVWSKTGPADCYNC-UHFFFAOYSA-N 434.415 5.245 30 10 IKEE CC(C)c1nn([C@@H](c2ccc(C3CCC3)cc2)C2CCC2)c(Br)c1C=NO 2079926330 ABXFOQMTKHWKJN-OAQYLSRUSA-N 430.390 6.234 30 10 IKEE Fc1cc(C(F)(F)F)ccc1-c1c(C(F)(F)F)nn(C(F)(F)F)c1Br 2080750912 GNEFYDABXYJVCD-UHFFFAOYSA-N 445.054 5.966 30 10 IKEE Fc1cc(C(F)(F)F)ccc1-c1c(C2CCCC2)nn(C(F)(F)F)c1Br 2080751765 VMVLLGPQGHVVOZ-UHFFFAOYSA-N 445.176 6.604 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(Cl)ccc(Br)c1F 2122155137 YWVBUVJPEVFHDT-RHSMWYFYSA-N 447.776 5.199 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Br)c1C)NCCC 2143734853 YZVKQGTWVOXHNU-UXHICEINSA-N 439.438 5.528 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)ccc(Br)c1F 2145529108 PKUIYDIIHRTTND-QAPCUYQASA-N 445.348 5.075 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CNC2(CCCCC2)C1 2155298086 DIDQJGHJSZZBSA-OAQYLSRUSA-N 434.378 5.149 30 10 IKEE C[C@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)Nc1ccc(C#N)c(Br)c1F 2162423435 SNRLZYDIUGYOAN-RBZFPXEDSA-N 440.357 5.345 30 10 IKEE CC[C@]1(CNc2cc(Br)cc(F)c2C#N)CCCCN1C(=O)OC(C)(C)C 2163706327 DGYXNKQUPUKTQA-HXUWFJFHSA-N 440.357 5.442 30 10 IKEE CC[C@H]1CN(Cc2ccc(C#N)cc2Cl)[C@H](CC)CN1C(=O)OCc1ccccc1 2174566890 ZWKRGHVXJLPIEH-YADHBBJMSA-N 425.960 5.223 30 10 IKEE N#Cc1ccc(NCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1C#N 2191232311 VDLKEWDBDGNFJL-UHFFFAOYSA-N 445.522 6.200 30 10 IKEE N#Cc1cc(F)c(Oc2c(Cl)cc(Br)cc2Cl)cc1Br 2202928410 YKHUEZAFAUQVRI-UHFFFAOYSA-N 439.893 6.321 30 10 IKEE C#C[C@@H](NC(=O)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1)C1CCCCC1 2203788875 DSXFWBHXWJCFNV-GOSISDBHSA-N 435.362 5.108 30 10 IKEE CCCCCCCC[C@H](C)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1 2223856363 CGQJWNRTTANSSO-UKILVPOCSA-N 445.692 5.837 30 10 IKEE C=CC[C@@]1(COc2cc(Cl)c(Br)cc2N)CCCN1C(=O)OC(C)(C)C 2272241591 CGJXKEYJHUWWAO-IBGZPJMESA-N 445.785 5.409 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2c(Br)cccc2C#N)C[C@H]2CCCC[C@@H]21 2285168967 FMXSRTPBSHJZFK-HFTRVMKXSA-N 434.378 5.301 30 10 IKEE CCOC(=O)C1=C(Nc2cccc(Cl)c2)SC(=Cc2ccc(C(C)(C)C)cc2)C1=O 2293188452 BLFMUAKOVRKFSK-UHFFFAOYSA-N 441.980 6.181 30 10 IKEE O=C1NC(=Nc2ccc(F)cc2)SC1=Cc1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 2294028381 DWEPIGOXVJDYFM-UHFFFAOYSA-N 442.855 5.329 30 10 IKEE CC1(C)CCC(NC(=O)OC(C)(C)C)(C(=O)C#Cc2cccc(Br)c2)CC1 2296229259 IDARJZYPKXTNEA-UHFFFAOYSA-N 434.374 5.233 30 10 IKEE CC(C)(C)OC(=O)NCC1(CC(=O)C#Cc2ccc(Br)cc2)CCCCC1 2296289002 NCSOAYGNAROICH-UHFFFAOYSA-N 434.374 5.235 30 10 IKEE COc1ccc(NN=Cc2ccc(OC)c(OCc3ccc(Cl)cc3Cl)c2)cc1 2321698495 WXRVEXWKEJITQP-UHFFFAOYSA-N 431.319 6.036 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1c[nH]c2cc(Cl)ccc12 2321773156 PWTONMUWOCHZFR-UHFFFAOYSA-N 444.391 6.193 30 10 IKEE Cc1cc(OCc2c(F)c(F)c(F)c(F)c2F)cc2c1C(=O)C(=Cc1ccccc1)O2 2321810814 JFIGQARCSHQVHG-UHFFFAOYSA-N 432.344 5.886 30 10 IKEE CCCCC[C@H](CC)N1COc2ccc3c(c2C1)OC(=Cc1cccc([N+](=O)[O-])c1)C3=O 2322072044 UWLGETDVMFKQEU-SFHVURJKSA-N 436.508 5.722 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1cccc(F)c1)C3=O)CN(Cc1ccccc1Cl)CO2 2322305652 BWQQYKZRPVCTSF-UHFFFAOYSA-N 435.882 5.756 30 10 IKEE CCCCC[C@H](CC)N1COc2c(cc3c(c2C)OC(=Cc2cccc(OC)c2)C3=O)C1 2322356779 SAHPLSOISKKBBQ-NRFANRHFSA-N 435.564 6.131 30 10 IKEE CC[C@@H](C)N1COc2c(cc3c(c2C)OC(=Cc2cn(C)c4ccc(OC)cc24)C3=O)C1 2322371063 MJYUZCFFUMOZLK-OAHLLOKOSA-N 432.520 5.062 30 10 IKEE Fc1ccc(NN=Cc2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1 2322968941 AGZIRZBIKCYOJO-MUUNZHRXSA-N 434.518 6.627 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)cc([N+](=O)[O-])c1OCCc1ccccc1 2323501985 GDZPQKASSLYSLD-UHFFFAOYSA-N 447.487 5.520 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)cc2)cc(OC)c1OCc1ccccc1F 2323647902 DJEGYLTXJHQJGT-UHFFFAOYSA-N 432.491 6.047 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Cl)c(OCc2ccccc2F)c(OC)c1 2323693820 YWOBTWHYMIWXEH-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 2323700791 GRQLNGKAEJZKLF-UHFFFAOYSA-N 449.459 5.096 30 10 IKEE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2323813005 OSMNLXBLSAPPCP-UHFFFAOYSA-N 434.875 5.963 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OCC(=O)Nc1cc(C)cc(C)c1 2323873237 ZLOWBWXOWCBCHB-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc([N+](=O)[O-])c1OCc1ccccc1C 2323983525 WKXWTQISLQJZAZ-UHFFFAOYSA-N 449.478 6.225 30 10 IKEE Cc1cc(O)c(CN(Cc2ccccc2)C(C)C)c2c1C(=O)C(=CC=Cc1ccccc1)O2 2324016899 VGVCUZBNZVZRIR-UHFFFAOYSA-N 439.555 6.284 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OCCc1ccccc1 2324058901 TYSUANOVORGCNV-UHFFFAOYSA-N 444.571 6.519 30 10 IKEE Cc1c(Cl)cccc1NC(=O)[C@H](C)Oc1ccc2c(c1C)OC(=Cc1ccco1)C2=O 2324431087 DEKDZEVVOSPEAV-HNNXBMFYSA-N 437.879 5.572 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@@H](C#N)C(=O)C=Cc2ccc(Cl)cc2)n1 2324847584 BMILMQLYFLDKPC-KRWDZBQOSA-N 429.328 6.015 30 10 IKEE COc1cccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C)cc4C)cc(C)c3C2=O)c1 2324891006 ZWRNVDUCHOOCOT-UHFFFAOYSA-N 443.499 5.254 30 10 IKEE Cc1ccc(CCOc2cc(C)c3c(c2)OC(=Cc2ccccc2Br)C3=O)cc1 2325369858 VCXTYJKZILMNDF-UHFFFAOYSA-N 449.344 6.304 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc([N+](=O)[O-])cc1 2325532279 CUSIKXAIRHGXFV-UHFFFAOYSA-N 429.933 5.357 30 10 IKEE Cc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)CCCC4)c2)cc1[N+](=O)[O-] 2325702116 XPZJITBCHXXRPR-UHFFFAOYSA-N 441.483 5.897 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC(=O)CCCOc3ccc(C)cc3)c2)cc1 2325705660 IQKSZYPAXPAGIJ-UHFFFAOYSA-N 428.528 6.218 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC(=O)CC2CCCCC2)c1 2325752507 KHWPBGGYIKEYBN-UHFFFAOYSA-N 434.576 6.765 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1)c1ccc(F)c(F)c1 2325753609 CPSLVCYFZNCXFQ-UHFFFAOYSA-N 443.789 5.642 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)ccc2OC)cc1OC(=O)CCCSC 2325780942 BQWWJGVTYFPNLQ-UHFFFAOYSA-N 434.941 5.302 30 10 IKEE CCOc1ccc(C=Nn2c(CCCOc3ccc4ccccc4c3)nnc2SC)cc1 2325882623 QOODXMFJICRWAQ-UHFFFAOYSA-N 446.576 5.446 30 10 IKEE CCc1ccc(OCCCc2nnc(SC)n2N=Cc2cccc3ccccc23)cc1 2326296047 SUXJHSNYSNYJLX-UHFFFAOYSA-N 430.577 5.609 30 10 IKEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(OC(C)C)cc1 2326489428 YDQLENXOWPVYCC-UHFFFAOYSA-N 435.380 5.855 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1ccc(OCC)cc1 2327210693 COLCOEMIBSIBDL-UHFFFAOYSA-N 436.581 5.157 30 10 IKEE Fc1cccc(CSc2nnc(CCCOc3ccccc3)n2N=Cc2ccccc2)c1 2328725204 WQQUTJOONHAEMR-UHFFFAOYSA-N 446.551 5.603 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccccc3)n2N=Cc2ccccc2C)cc1 2329872662 OEVAFBLGLMMJEA-UHFFFAOYSA-N 428.561 5.648 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccccc3)nnc2[C@H](C)c2ccccc2)c1O 2330104842 DOASUXFQEZHOFG-GOSISDBHSA-N 444.560 5.319 30 10 IKEE CN(C)c1ccc(C=Nn2c(Cc3ccccc3)nnc2SCCc2ccccc2)cc1 2330493511 DCWSGXBIIUZSKP-UHFFFAOYSA-N 441.604 5.152 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)cc([N+](=O)[O-])c1OC(=O)C1CCCC1 2330761666 QZQCLUAIGRKCKW-UHFFFAOYSA-N 437.492 5.548 30 10 IKEE Cc1ccsc1C(=O)Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1[N+](=O)[O-] 2330934162 YDQXEBHSKHYRKP-UHFFFAOYSA-N 427.865 5.733 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)cc(Br)c1OC(=O)C(C)C 2330980157 ZRXZUZBHEQKEFX-UHFFFAOYSA-N 447.325 5.314 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl 2331020394 BRIQQOGKBNNKED-UHFFFAOYSA-N 439.826 5.432 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(C)cc2C)cc1OC 2331215885 NAQPRCWQQRGFOU-UHFFFAOYSA-N 428.956 6.737 30 10 IKEE Cc1ccccc1CSc1nnc(C2CCC2)n1N=Cc1c(Cl)cccc1Cl 2331491591 UNYQATJASYKHOV-UHFFFAOYSA-N 431.392 6.335 30 10 IKEE COC(=O)c1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CCC2)cc1 2331539325 OXTCIXWCOYPTMV-UHFFFAOYSA-N 440.956 5.160 30 10 IKEE CCCC(=O)Oc1ccc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)cc1[N+](=O)[O-] 2331636872 AFUAKPOKZOOTCM-UHFFFAOYSA-N 438.263 5.512 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccccc3C)nnc2C2CC2)cc1OCC 2331726354 XOBJJFRRVMPCPQ-UHFFFAOYSA-N 436.581 5.436 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)c(C)c3)c(Cl)c2)c(C)c1 2331768731 QZGDULKFZKREMM-UHFFFAOYSA-N 432.947 6.997 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)CC(C)(C)C 2331770827 NNPQKXAKKZLHDX-UHFFFAOYSA-N 442.983 6.902 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2cc(Br)c(C#N)cc2F)C[C@H]2CCC[C@H]21 2360243729 OEWXZVCPZWWYPD-UVBSCNOISA-N 438.341 5.050 30 10 IKEE Cc1cc(CNCc2ccccc2OCc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2369616194 PDXBKHRFIJIVLO-UHFFFAOYSA-N 443.396 5.163 30 10 IKEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1)c1cccc(Cl)c1 2377295994 WKLNKCVXCVRGTJ-UHFFFAOYSA-N 436.586 5.038 30 10 IKEE Nc1ncc(-c2ccc(Br)cc2)n1/N=C/c1ccc(OCc2ccccc2)cc1 6143336 PWOZSCMITWWHQT-MZJWZYIUSA-N 447.336 5.356 30 10 IKEE Cc1cc(C)nc(N/C(=N\C(=S)Nc2cccc(C)c2Cl)NC2CCCCC2)n1 14156444 USGSMINOHLOIFV-UHFFFAOYSA-N 431.009 5.142 30 10 IKEE CCc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(Oc3ccccc3)c2)cc1 21223774 RQQGGBYSRLYULO-RDGATRHJSA-N 437.539 6.046 30 10 IKEE C=CCC[C@H](O)CN(CCC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1 36316301 PTRJRWVLENROIB-QHCPKHFHSA-N 433.596 5.766 30 10 IKEE Cc1c(/N=N/c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(O)n(C2CCCCC2)c(=O)c1C#N 39871246 ZHFGGGFFLYHPOT-OCEACIFDSA-N 449.389 5.582 30 10 IKEE O=C1N/C(=N\N=C\c2ccc(-c3ccccc3)o2)S[C@H]1Cc1ccc(Cl)cc1Cl 39888237 LZDOGRFRMSDAQR-OGBFJMLUSA-N 444.343 5.418 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(ccc(OCc4ccc(C)cc4)c3C)C2=O)cc1 62942261 DZMSCWVJUTZBRC-ONUIUJJFSA-N 427.544 6.345 30 10 IKEE CCOC(=O)c1sc2nc(-c3ccc(C#N)cc3)c(NCc3cccc(F)c3)n2c1C 65315883 QBZQAECMJFLWMV-UHFFFAOYSA-N 434.496 5.171 30 10 IKEE C/C(=N\OCc1cccc(C)c1)c1cc(-c2ccc(F)cc2)n(-c2cccc(C)c2)c1C 97629486 OMHJHUJPRHIDOT-MWAVMZGNSA-N 426.535 7.149 30 10 IKEE CCCCCCCCCCCCCCCCNC[C@H](C)c1ccc2cc(OC)ccc2c1 100156802 JUGYMZWIUVLEBH-SANMLTNESA-N 439.728 9.023 30 10 IKEE CCCCCCCOc1cccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)c1 100246535 FJMGJTMEBGCQTR-UHFFFAOYSA-N 439.408 6.469 30 10 IKEE C=C(C)COc1ccccc1NC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl 100439967 LEIPKWQSUZTIKP-UHFFFAOYSA-N 441.358 6.873 30 10 IKEE CCCCCCCCCCCn1c([C@@H](C)NC(=O)c2cccs2)nc2ccccc21 102134663 MZNZDDXKZDLLEW-HXUWFJFHSA-N 425.642 7.120 30 10 IKEE O=C1/C(=C\c2cccc(Cl)c2)CN(Cc2ccccc2)C/C1=C\c1cccc(Cl)c1 104375352 MFHOLABOFBYEGK-SEKXJNOLSA-N 434.366 6.545 30 10 IKEE CCCCCCCCCCCCCC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 104901048 KKRFATOGDAYTQX-UHFFFAOYSA-N 428.642 7.640 30 10 IKEE C[C@H](O[C@@H]1OCCN=C1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 113470117 KHOSCFXAHZBOCH-VOJFVSQTSA-N 435.339 5.787 30 10 IKEE CCCCCCCCCCC[C@@H](O)c1cc(Br)sc1Br 115859949 KPKLQRFYBMTCNZ-CQSZACIVSA-N 426.258 7.227 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1c1ccc(C)cc1 169944669 IOXLVUVYALSUQU-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccccn1 169996696 PHUSQRIOCAABPK-JOCHJYFZSA-N 443.890 5.308 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1cccc(O)c1)c1cc2ccccc2o1 170082218 JLZTVRXCHDCYHR-QFIPXVFZSA-N 447.393 5.200 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccccc2C)cc1C 170088075 OGBLPGZZJCXFMQ-HSZRJFAPSA-N 433.454 5.673 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@H]1c1ccco1 170092724 ZBEPSKSEGFZIIK-IBGZPJMESA-N 445.805 5.003 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2sccc2C)cc1 170106541 NHSKBDBRQSTJSU-FQEVSTJZSA-N 437.948 6.055 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCOC(C)C)c1 170139829 NIBBMJHYLLHTBS-XMMPIXPASA-N 429.516 5.152 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2Cc2ccncc2)c1 170144963 ZHAFZGLTIIUWMI-RUZDIDTESA-N 438.527 5.047 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@@H]1c1cccs1 170165399 AQGYNSODIVJYJW-QHCPKHFHSA-N 447.556 5.624 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccccn2)cc1 170170865 YDAIWEFXZSZWDA-RUZDIDTESA-N 438.527 5.306 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccncc2)ccc1OCC(C)C 170203498 OBOVGMJEYWASHL-XMMPIXPASA-N 442.515 5.208 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3OC)[C@H]2c2ccccc2)cc1 170224284 UIDNYUQZUVYFAO-XMMPIXPASA-N 443.499 5.049 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)(C)C)c2)[C@H]1c1ccccc1 170232849 AMZVRWVKTRJZRP-XMMPIXPASA-N 449.591 6.151 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(Cl)cc2)cc1C 170237126 KJWWIZHUZWQZAH-NRFANRHFSA-N 425.912 5.178 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(F)cc2)c1 170241050 PECUZPDPHYGNEF-HSZRJFAPSA-N 449.478 5.232 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2C2CCCC2)cc1 170268720 KBCYOCFNGFAAOC-GYCJOSAFSA-N 431.532 5.093 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccco1)c1ccc(Cl)c(Cl)c1 170286968 YZVGHLHMVCRMBJ-SFHVURJKSA-N 448.689 6.023 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccco2)c(C)c1 170289531 DOYIQUDVTHWPOH-HJPURHCSSA-N 429.472 5.003 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2c2ccccc2C)o1 170305621 CFBLPQXDGJUVRG-DEOSSOPVSA-N 445.515 5.775 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(Cl)c1)c1ccccc1 170368906 ZIOPRHLIRVAGTG-HXUWFJFHSA-N 440.282 5.482 30 10 IKEE O=[N+]([O-])c1cc(C(F)(F)F)ccc1NN=Cc1ccc(-c2cc(Cl)ccc2Cl)o1 252617283 KPSOFTOEQSZFRM-UHFFFAOYSA-N 444.196 6.626 30 10 IKEE C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C/c1ccc(C(F)(F)F)cc1)C2=O 254296748 LJQHVTRFOZQNII-DQEXXYORSA-N 444.537 6.592 30 10 IKEE C#CCOc1c(C=Nc2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cccc1OC 254557052 CXYGEHAMSGVISH-UHFFFAOYSA-N 444.556 5.650 30 10 IKEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1COc1ccc(OCc2ccccc2)cc1 379423331 PDAMTIWENLOJTP-UHFFFAOYSA-N 446.352 5.152 30 10 IKEE CCOc1cc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccs2)ccc1OC 526486758 OUZLSSSNKOTVJV-JOCHJYFZSA-N 432.501 5.084 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 526490264 VARKYUMZFOAYDF-RUZDIDTESA-N 438.527 5.922 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1ccc(Br)cc1 526809026 VQZOTTOWRIIYNK-UCQKPKSFSA-N 443.414 5.866 30 10 IKEE Cc1cc(C)cc(CSc2nnc(CCc3ccccc3)n2/N=C\c2cccc(O)c2)c1 526809571 OHIGOKLKVMGTTF-PKAZHMFMSA-N 442.588 5.560 30 10 IKEE CCCOc1ccccc1/C=N\n1c(CC)nnc1SCc1c(F)cccc1Cl 526817155 IRJXQDVMTFCBIU-CFRMEGHHSA-N 432.952 5.596 30 10 IKEE CCCCCCCCCC[C@@H](O)c1cc(NC(=O)OC(C)(C)C)ccc1Br 696099683 YXNBPJPPCAHQHK-HXUWFJFHSA-N 442.438 7.360 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@@H]2C[C@@H](CN2C(=O)OC(C)(C)C)C1 709361091 CXGDYZJMXAJIRS-HHJKRLRDSA-N 441.572 5.418 30 10 IKEE CC1(C)CSC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Br)c2)C1 710710393 VYMIYZCESSZSEG-LJQANCHMSA-N 425.392 5.616 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCC[C@@H](CNC(=O)OC(C)(C)C)C1 724090159 PXAXLGVEKMPJCX-CLOONOSVSA-N 443.588 5.714 30 10 IKEE Cc1c(NC(=O)c2cccc(N=C3C=C(O)CC(C)(C)C3)c2)c(=O)n(-c2ccccc2)n1C 725442824 DWLLHJVYPWEKEE-UHFFFAOYSA-N 444.535 5.071 30 10 IKEE CCN1C(=O)C[C@H](C(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(Cl)c(Cl)c1 1084336586 CISYSCXUCXSURH-MRXNPFEDSA-N 440.327 5.113 30 10 IKEE O=C1C(=Nc2ccc(Oc3ccc(Cl)cc3)cc2)c2ccccc2N1CN1CCCCC1 1084549519 GIUKESRPOLRMPF-UHFFFAOYSA-N 445.950 6.043 30 10 IKEE O=C(Nc1ccccc1Cl)N(/C(=N/C1CCCCC1)N1CCOCC1)C1CCCCC1 1088674295 ZRFIEBGODFFOLU-WNAAXNPUSA-N 447.023 5.528 30 10 IKEE C/C(=C1\SC(=Nc2nc(C)cs2)N(c2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1 1772740633 ZVEZBJQUMFJSPS-ZBLGNAECSA-N 436.518 5.558 30 10 IKEE CC(=C/c1ccccc1)/C=C1\SC(=NN=Cc2ccccc2)N(Cc2ccco2)C1=O 1772758426 VCKJKVIAIPWHTM-NSJRASOSSA-N 427.529 5.733 30 10 IKEE CCCc1nc2sc(C)c(-c3cc(C)ccc3OC)c2c(=O)n1Cc1cccc(C#N)c1 1857802921 QRMZZZPWWGGUFT-UHFFFAOYSA-N 443.572 5.623 30 10 IKEE C=CCN(CC=C)C(=O)Oc1cccc2c(NC(=O)c3ccc(Cl)s3)cccc12 1858952456 JGYOIRDZBSOGRH-UHFFFAOYSA-N 426.925 5.980 30 10 IKEE Cc1ccc(C(=O)N2CCC(c3ccc(OC(=O)c4cccc(C#N)c4)cc3)CC2)cc1C 1860692163 UPOHAYNDFSBLPE-UHFFFAOYSA-N 438.527 5.414 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2[C@H](C)CC)cc1 1862382583 DNXBNSYHEHUHGT-ZUOKHONESA-N 448.346 5.769 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(C)cc1 1862400955 QIQFKTKNLOEWDJ-RCZVLFRGSA-N 449.591 6.249 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc(C)cc2)cc1C 1862401359 ZIXGXVGBYVRJIH-NYQDVAGCSA-N 433.548 5.469 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)c1 1862402237 UHKKIAICZSLETL-LYAKXMMSSA-N 449.547 5.169 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccccn2)cc1 1862431832 PIISIGDTRIVVGY-JOCHJYFZSA-N 432.907 5.076 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccc(C)cc2)cc1 1862431973 SRTXABLTGRZZOX-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc(C)c2)cc1 1862475612 QKGZNUDOCUWASV-IBVKSMDESA-N 439.555 6.205 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@H](C)c2ccccc2)c1 1862478530 JGVUEPQZMCJDLB-KBMIEXCESA-N 441.527 5.733 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862478646 NAIHNXZNDBLMGE-KBMIEXCESA-N 441.527 5.733 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)cc1O 1862492183 LJSMMIIXINKQFX-WSCWJOSJSA-N 449.547 5.175 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862502003 OVXDGRCHBCGEGA-XMMPIXPASA-N 429.491 5.475 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2cc(C)ccc2C)c1 1862507584 OTUCLMFENFPGSS-RUZDIDTESA-N 443.518 5.838 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(Cl)c(Cl)c1 1862550592 JJQMTVAUGKNYRD-NRFANRHFSA-N 444.358 5.859 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccccc2F)cc1 1862614380 AGSZXLZLOKCGBF-HSZRJFAPSA-N 444.506 5.297 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C2CC2)cc1 1862654297 YSNZDHXXPKBTTQ-DEOSSOPVSA-N 425.528 5.878 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2[C@H](C)CC)ccc1O 1862656207 YUWGOCSBJDZBBI-VOIUYBSRSA-N 445.515 5.321 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(Cl)cc1 1862659980 CYYPZYVFWBLEDL-HSZRJFAPSA-N 439.983 6.622 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCCc2ccccc2)[C@H]1c1ccccc1F)c1ccc(F)cc1 1862674094 SLKFJFKDLYIYJO-DEOSSOPVSA-N 447.481 5.566 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccccc2Cl)c1 1862701103 WJOAJSMIQKYHEF-QPJICYPMSA-N 439.939 5.506 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(N(C)C)cc1 1862714920 PLNRGWVWPLMRCN-DEOSSOPVSA-N 428.532 5.140 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(C)cc1 1862722715 XMDMJEWLLLMISR-DFBJGRDBSA-N 425.528 6.039 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccccc1F 1862723466 ALIOBDJXQDTEAR-RUZDIDTESA-N 443.518 6.117 30 10 IKEE Cc1cccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3cccc4ccccc34)C2=O)c1 1862844944 JTZMQCMVFWLGLK-UHFFFAOYSA-N 429.479 5.417 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(Cl)cc3)C2=O)cc1C 1862873573 BIOVUBLXBPXZPV-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CCCOc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(C3CCCCCC3)C2=O)cc1 1863349011 UFCSOKCFOKRRJK-UHFFFAOYSA-N 443.547 5.262 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC2CCCC2)=C(c2ccc(F)cc2F)C1=O 1863657214 ORCBTBIBDVJVEO-UHFFFAOYSA-N 432.555 5.718 30 10 IKEE C[C@@H]1CN(c2cc(Nc3cccc(C#N)c3)nc(C(C)(C)C)n2)C[C@@H](c2ccc(F)cc2)O1 1868333802 UQZUNSMIYHERBH-VGSWGCGISA-N 445.542 5.495 30 10 IKEE Cc1ccc2cc3c(nc2c1)N(c1cc(Nc2ccc(C#N)cc2)nc(C(C)(C)C)n1)CC3 1868355890 QURWNMXLSCDDFL-UHFFFAOYSA-N 434.547 5.940 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3cc(C)ccc3[C@@H]2CC(C)C)nc(CCOC)n1 1869108819 JGSHHTWIYRUNAO-DEOSSOPVSA-N 434.628 5.302 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC[C@H]2Cc2ccc(Cl)cc2)nc(-c2ccccc2)n1 1869198538 TUXUCJTZBXLUBL-DEOSSOPVSA-N 445.010 6.187 30 10 IKEE CCCCCCCCn1cc(OCCCCCCC)c(=O)cc1CN1C[C@@H](C)C[C@@H](C)C1 1870413117 RXAFHKJHXRNWAT-PLQXJYEYSA-N 446.720 7.036 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(Cl)cc2)cn1Cc1ccccc1C 1870438867 BJROXBZUACZRMK-UHFFFAOYSA-N 448.994 5.611 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCCCCC)cn1CCCCN(CC)CC 1870673672 VFGVXZRRJOXHRO-UHFFFAOYSA-N 431.665 5.103 30 10 IKEE C#CCOc1cn(CCC2=CCCCC2)c(CNc2ccc(N(CC)CC)cc2C)cc1=O 1871008884 SJAZUEOUSBWASV-UHFFFAOYSA-N 447.623 5.518 30 10 IKEE C#CCOc1cn(CCC2=CCCCC2)c(CNc2ccc(N3CCCCC3)cc2)cc1=O 1871008898 TYEIPJSEFVWJPO-UHFFFAOYSA-N 445.607 5.353 30 10 IKEE CCCCCCCCn1cc(OCCCC)c(=O)cc1CNc1cccc(C(C)(C)C)c1 1871110692 DABPRAXZAQWJBN-UHFFFAOYSA-N 440.672 7.297 30 10 IKEE CCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1cccc(OC)c1 1871254508 YUXHHERSOGTENX-UHFFFAOYSA-N 431.536 5.110 30 10 IKEE CCCCCCCCCCN=c1nc2c(cnn2C)c(Nc2cccc(NC(C)=O)c2)[nH]1 1871299087 RCCABODZNIGBKL-UHFFFAOYSA-N 437.592 5.040 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O)c1cccc(Br)c1 1871365725 DFHIIADWWMPWSG-WQRHYEAKSA-N 427.275 5.346 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1OC 1871367278 CMBLGOQDOYCFTO-MYYYXRDXSA-N 444.483 5.167 30 10 IKEE Cc1cc(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc2c1C(=O)/C(=C/c1ccccc1)O2 1871373484 IZKDOYUJOZCGAW-JMIUGGIZSA-N 435.819 5.392 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(CN3CCCc4ccccc43)c(O)cc(C)c2C1=O 1871394956 AMWREJPNMIMJJS-XYGWBWBKSA-N 441.527 5.668 30 10 IKEE C[C@@H]1CCCN(Cc2c(O)ccc3c2O/C(=C\c2ccc(-c4ccccc4)cc2)C3=O)C1 1871396628 PFTJSSWKZLHWET-NLULDLIBSA-N 425.528 5.907 30 10 IKEE Cc1c(OCCc2ccccc2)ccc2c1O/C(=C\c1ccc(Cl)cc1Cl)C2=O 1871400108 IFZYZGJLIXKPOC-XKZIYDEJSA-N 425.311 6.540 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccncc2)C3=O)cc1Cl 1871402621 YDDNKSBXIUPSHL-BDQMVGTNSA-N 448.906 5.374 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(O[C@@H](C)C(=O)Nc3ccc(C)cc3)cc(C)c2C1=O 1871405599 DCWFNFCKAADPOE-SMNNTEATSA-N 443.499 5.334 30 10 IKEE CCc1ccc(NC(=O)[C@H](CC)Oc2ccc3c(c2C)O/C(=C\c2cccs2)C3=O)cc1 1871425021 DNKVGCLSMOICFP-XUVWKZFSSA-N 447.556 6.031 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc(O[C@@H](C)C(=O)Nc3c(C)cccc3C)c2C)C1=O 1871430079 BSODBJOHTIXJJW-PKIWBCANSA-N 447.556 6.004 30 10 IKEE CCOc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2)C3=O)cc1 1871452624 VZAMGKPBHIFTSP-UCQKPKSFSA-N 429.472 5.027 30 10 IKEE Cc1cc(C)c(NC(=O)COc2ccc3c(c2)O/C(=C\c2sccc2C)C3=O)c(C)c1 1871458186 DUFWIJIHMGMJLF-MTJSOVHGSA-N 433.529 5.615 30 10 IKEE C=CCN([C@@H](CC)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1871839853 IGGXMRBYJCZMSU-QHCPKHFHSA-N 442.625 5.329 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1ccc(C)cc1 1872056276 MNEFWERATANORK-HSZRJFAPSA-N 446.588 5.063 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(CC)cc1)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872105533 CRPODKJCSXSFDB-YKSBVNFPSA-N 442.625 5.178 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccccc1C)[C@@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872441727 SDHSUNKUVIINSX-UUOWRZLLSA-N 442.625 5.232 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccccc1C(C)C)[C@@H](C)CC)S(=O)(=O)c1cccs1 1872461810 NJTDGDGQKUDGJC-AVRDEDQJSA-N 448.654 5.492 30 10 IKEE COc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 1872759340 KYNXLGQWAGMAHZ-OMHSXHNCSA-N 436.536 6.375 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-n4cccc4)cc3)n2)cc1OC 1872761834 WUTJSOLWJGHKFK-IBGZPJMESA-N 429.501 5.108 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(Cl)c(Cl)c3)n2)cc1C 1872765203 JXEMKLVSHYXWTD-HNNXBMFYSA-N 431.344 5.853 30 10 IKEE Cc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(C(C)(C)C)c1 1872766482 KEPWCMPRBVEWIX-SFHVURJKSA-N 438.980 6.325 30 10 IKEE CC(C)(C)c1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(Cl)ccc3Cl)n2)cc1 1872773867 ZSSVLXYUHOQMMA-KRWDZBQOSA-N 429.372 6.904 30 10 IKEE N#C[C@@H](C(=O)c1c(F)cccc1Cl)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872778028 BRLKYISRRJLCSE-SFHVURJKSA-N 448.906 6.885 30 10 IKEE Cc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)c(C)c1 1872785742 VDZSHKBAFPGWTL-NRFANRHFSA-N 432.589 6.288 30 10 IKEE Cc1cc(C)c(-c2csc([C@H](C#N)C(=O)c3ccccc3Br)n2)c(C)c1 1872786997 YJWABFXKAMFWLF-MRXNPFEDSA-N 425.351 5.988 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2[C@@H](C)CC)=C(c2ccc(Cl)c(Cl)c2)C1=O 1873187550 QJTRBZHAYUSRDS-AWEZNQCLSA-N 429.347 5.885 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(OC(C)C)cc2)=C(c2c(Cl)cccc2Cl)C1=O 1873289380 KGDQQTLSHWIDLL-UHFFFAOYSA-N 431.319 5.159 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)c(F)c2F)=C(c2ccccc2C)C1=O 1873305522 IZKUEUJTCONMQQ-UHFFFAOYSA-N 444.497 5.965 30 10 IKEE CCCCCCCCNC(=O)c1cc2c(N3C[C@@H](C)C[C@H](C)C3)ncnc2n1CCCC 1873580895 OBKGSZDKJJHVHN-SFTDATJTSA-N 441.664 5.804 30 10 IKEE C=CCn1c(C(=O)Nc2cc(C)ccc2C)cc2c(NCc3ccccc3Cl)ncnc21 1873606066 ILUGYEBHGXMBIU-UHFFFAOYSA-N 445.954 5.752 30 10 IKEE C=C(C)CSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1ccc(F)cc1 1874225410 JLMHAOGUJDAVLE-CVKSISIWSA-N 438.572 5.596 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1cc(C)ccc1O 1874232661 ZXSABNJFIXDMSW-JVWAILMASA-N 442.588 5.781 30 10 IKEE CCCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1cc(C)ccc1O 1874234042 OMEHMNMTUUBEDJ-YZSQISJMSA-N 430.577 5.615 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCCc2ccccc2)n1/N=C/c1cccnc1 1874300209 CGWOHKBFZZNYSC-WPWMEQJKSA-N 443.576 5.086 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccccc1F 1874361183 NEFQWMBVNNIJEG-LQKURTRISA-N 448.542 5.824 30 10 IKEE Fc1ccc(Cc2nnc(SCc3cccc(F)c3)n2/N=C/c2cccc(F)c2)cc1 1874377971 XSXQESFNHXNYSN-MZJWZYIUSA-N 438.478 5.461 30 10 IKEE CSc1nnc(COc2ccccc2)n1/N=C/c1ccc(OCc2ccc(C)cc2)cc1 1874382504 SCWDHVYBSSWVAT-WGOQTCKBSA-N 444.560 5.349 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2-c2cccs2)cc1 1874423040 RNAGMJDISKZMOL-XIEYBQDHSA-N 448.617 6.012 30 10 IKEE Cc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCC(=O)Nc2ccc(C)cc2)cc1 1874437806 UQMZOXKPVKEDPW-MFKUBSTISA-N 435.597 5.097 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(CC(C)(C)C)nnc2SCc2cccc(Cl)c2)c1 1874440671 NPOYURZDKNBTRG-ZMOGYAJESA-N 428.989 5.709 30 10 IKEE CN(C)c1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2cccc(Cl)c2)cc1 1874440784 STVWHMZBLSVOSJ-MFKUBSTISA-N 442.032 5.761 30 10 IKEE CCCCc1nnc(SC)n1/N=C/c1ccc(OCc2ccc(C)cc2)c(OCC)c1 1874475710 NHUVHWLSPWWUDG-PCLIKHOPSA-N 438.597 5.511 30 10 IKEE COc1cc(/C=N/n2c(SCc3ccc(C)cc3)nnc2C2CCC2)cc(Cl)c1O 1874493554 STUDAVFUXQTVBP-WYMPLXKRSA-N 442.972 5.396 30 10 IKEE C[C@H](c1ccccc1)c1nnc(S)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874561503 UVKSHMVIMIVNPA-CIRUFVMISA-N 448.979 5.833 30 10 IKEE O=C(/C=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)c1ccccc1 1874578326 ICVROTRHTPYTSU-BUHFOSPRSA-N 433.334 7.622 30 10 IKEE C=CCOc1c(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc(Br)cc1OC 1874579602 XIULIAALTJEEDB-FNORWQNLSA-N 442.136 6.225 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OC)c1OCC(=O)Nc1ccccc1F 1874580748 DUUFYIJKDFSWSP-OUKQBFOZSA-N 449.478 5.065 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2cccc(OCc3c(Cl)cccc3Cl)c2)c1C 1874599544 RDRKUVUBCXOSFW-VAWYXSNFSA-N 439.382 7.702 30 10 IKEE COC(=O)c1ccc(COc2cccc(/C=C/C(=O)c3ccc(OC)c4ccccc34)c2)o1 1874601046 QFVSTWSQCDWUCE-JLHYYAGUSA-N 442.467 5.703 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cc(C)ccc3C)c([N+](=O)[O-])c2)cc1 1874616328 UCJMIGATRDPSQC-XYOKQWHBSA-N 444.487 5.434 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OCCC)c(OC)c2)cc1 1874625837 YSTYRTKIJVTJLU-XNTDXEJSSA-N 444.999 7.383 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OCC(=O)Nc1ccccc1 1874628781 VZMJTRKVMUNRAC-JLHYYAGUSA-N 445.515 5.234 30 10 IKEE COc1cc(C(=O)/C=C/c2ccc(OCc3ccccc3F)cc2)c(OC)cc1Cl 1874629905 AUNAJLDFWCFXBM-FMIVXFBMSA-N 426.871 5.971 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OCCCO)c(Br)c1 1874633503 FQNNMVRXHHAXQX-GQCTYLIASA-N 439.733 5.077 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3ccc(Cl)c(C)c3)c2)cc1 1874697493 AOUKLCPRWHVQHV-AWNIVKPZSA-N 436.891 5.538 30 10 IKEE Cc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C 1874706013 LLUFMQRSIGHXIR-LFIBNONCSA-N 426.556 6.645 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC(=O)[C@@H](C)c2ccccc2)c1 1874715875 PUXSJIKKVJBYJA-QGUORLBXSA-N 426.556 6.898 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(C)c(C)c3)c2)cc1Cl 1874716854 MPSIKRULGOGWJK-PKNBQFBNSA-N 434.919 6.010 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)CCc3ccccc3C)c2)cc1C 1874718101 SCHVFFYNYTUBAF-WYMLVPIESA-N 428.528 6.055 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C(F)(F)F)c([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 1875078671 XIPPBNULNOXNTF-WUXMJOGZSA-N 441.361 5.626 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1ccccc1 1875082968 WSTRPYIWQYKGSA-CPNJWEJPSA-N 448.518 6.868 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)Cc1cccs1 1875098848 LPVUUJWVGVEFNI-XYOKQWHBSA-N 432.541 5.680 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(OC)c(OC(=O)CCc3ccccc3)c(OC)c2)c1 1875102910 SJVUSWURJBTTQO-WYMLVPIESA-N 446.499 5.147 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)cc2)cc1 1875112886 RVVBAZSLKDMNCB-RNMWKOHKSA-N 432.903 5.954 30 10 IKEE Cc1ccsc1C(=O)Oc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1 1875114706 RMHFMROWRYOTIB-JXMROGBWSA-N 427.319 5.934 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2Cl)cc1 1875139609 QIPKQQYDAAHUEB-UKTHLTGXSA-N 448.946 6.400 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 1875151020 QHIARMOEFAZLMK-JXMROGBWSA-N 425.437 5.095 30 10 IKEE CC(C)(C)CC(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1Br 1875162352 IZAAPQGZGJBQBP-XBXARRHUSA-N 437.280 5.965 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C(C)C)c(OC)cc3C)cc2)cc1 1875162635 JEHSLZYUUDYPKS-LFIBNONCSA-N 442.555 6.805 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(C)c3C)cc2)cc1OC 1875167604 IGOYLDSIYPVFAT-MDWZMJQESA-N 446.499 5.445 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OCC)cc2OCC)cc1OC 1875179472 LOOGMQBBLWVNGD-GXDHUFHOSA-N 426.509 5.484 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2cccs2)c(Cl)c1 1875180034 DSEUVKWVVMEPAQ-FNORWQNLSA-N 447.339 6.487 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)c1ccc(C)cc1 1875181447 HEIFSMYFNCBORQ-DHZHZOJOSA-N 448.946 6.698 30 10 IKEE C=CCCCCSCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1885304812 CGYTXXADZCUANG-HSZRJFAPSA-N 439.577 5.458 30 10 IKEE CC1(C)CN(C(=O)OC(C)(C)C)C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C1 1922773359 GCRBLVODWYAPOJ-XMMPIXPASA-N 435.609 5.486 30 10 IKEE C=C([C@@H](NCCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C)[Si](C)(C)C 1922981493 CPKKEWOTWFPZRL-GOSISDBHSA-N 441.486 6.270 30 10 IKEE CC(C)c1nc(Br)c(Br)n1CCCB1OC(C)(C)C(C)(C)O1 1935693218 FYDJNFLGLVQBDF-UHFFFAOYSA-N 435.997 5.014 30 10 IKEE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCC#N)C(C)(C)C 1984696635 ZDNAIJMVTVRVMV-DEOSSOPVSA-N 447.579 5.090 30 10 IKEE CCCN(CCC#N)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC 1985180668 XBDKOJPDJJWEQG-DFBJGRDBSA-N 447.579 5.092 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c3ccccc3)[C@H]2C1 2032058696 GEGHIVNIEHMGHD-JVFUWBCBSA-N 441.572 5.357 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CN(C(=O)OC(C)(C)C)C(C)(C)C2)cc1 2037764703 CMFWFKYZVDQJMS-DEOSSOPVSA-N 445.560 5.118 30 10 IKEE N#CCOc1cccc(C=C(Cl)c2nc(O)c3c(-c4cccs4)csc3n2)c1 2041536752 WAAXOQKMXLZIDV-UHFFFAOYSA-N 425.922 5.765 30 10 IKEE N#Cc1c(NC(=O)C=Cc2ccccc2)n(CCc2ccccc2)c2nc3ccccc3nc12 2053525613 MMMFSHDBUXDRHK-UHFFFAOYSA-N 443.510 5.351 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2076316158 FCWWPCVHGXQXDN-OSPHWJPCSA-N 447.551 5.497 30 10 IKEE Fc1cc(C(F)(F)F)ccc1Cn1nc(C2CC2)c(Br)c1C(F)(F)F 2079015781 ABVYKEKOFAYVTL-UHFFFAOYSA-N 431.149 5.748 30 10 IKEE N[C@@H](CC#CC1CCCCC1)c1cc(Br)ccc1I 2093451060 OJLUWEXFAMAKMT-INIZCTEOSA-N 432.143 5.027 30 10 IKEE Cc1nn(C)c(Cl)c1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2118714815 JICLZUGKQDJNSY-AWEZNQCLSA-N 439.741 5.151 30 10 IKEE CC1(C)CCC[C@](C#N)(c2ncc(I)cc2Br)CC1 2133374453 WVNXJEWVUOSPSC-HNNXBMFYSA-N 433.131 5.200 30 10 IKEE CCCCCCCC[C@@H](NC)[C@@H](O)c1cc(Br)c(Br)s1 2148586350 IHODAVGJJZDEEG-TZMCWYRMSA-N 427.246 5.645 30 10 IKEE C=CCN(CC[C@H](NCCC)c1ccc(Br)c(F)c1F)C(=O)OC(C)(C)C 2155516184 HPBYDICOYUCRHQ-INIZCTEOSA-N 447.364 5.581 30 10 IKEE C=CC1(C[C@@H](NCCC)c2ccc(I)c(Br)c2)CCC1 2168029654 XXABOPIGSILJAJ-MRXNPFEDSA-N 448.186 5.841 30 10 IKEE CCN(c1cccc(Br)c1C#N)[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 2174807890 HVXVMIZEYDWOAQ-MAUKXSAKSA-N 436.394 5.231 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1c1cccc(Br)c1C#N 2174813235 TXIFFBRGWGFUMF-RTBURBONSA-N 434.378 5.079 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCC)c2cc(F)c(Br)cc2F)C1 2198196205 PWWPFDNFLIMDNO-QGZVFWFLSA-N 445.348 5.239 30 10 IKEE C=CCC1([C@H](NCCC)c2cc(F)ccc2Br)CN(C(=O)OC(C)(C)C)C1 2198479099 DBDOIMBORJBMDE-GOSISDBHSA-N 441.385 5.442 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(C)c(Br)c(C)c1 2227363068 SYBAHNROLMIDQT-MJGOQNOKSA-N 425.411 5.576 30 10 IKEE C=CCC[C@H](NCCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229109146 GAKUNNZGGVVSDX-OALUTQOASA-N 425.411 5.219 30 10 IKEE C=CCN(CC[C@H](NCCC)c1ccc(Br)cc1Cl)C(=O)OC(C)(C)C 2230371200 LIGXAIKOPVTULN-SFHVURJKSA-N 445.829 5.956 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cccc(Cl)c1Br 2259408806 UHKIMGQTGVKBRH-DOTOQJQBSA-N 429.786 5.060 30 10 IKEE CCCN(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(F)(F)F)c1 2267527794 MGEHTDGAJYBLJI-UHFFFAOYSA-N 447.306 5.057 30 10 IKEE Cc1nc(N2C(=O)C(=O)C(=C(O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)sc1C 2296110271 KHMLZOLRNZHSSP-SFHVURJKSA-N 442.899 5.179 30 10 IKEE C[C@@H](CC(=O)C#Cc1cccc(Br)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2296222340 QXYKORUKURQOGE-FUHWJXTLSA-N 434.374 5.043 30 10 IKEE O=C(C#Cc1cccc(Br)c1)c1c(Cl)cc(Br)cc1Cl 2296281579 MNSSJUKKJJVMLU-UHFFFAOYSA-N 432.926 5.753 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@@H](C)C(C)(C)NC(=O)OC(C)(C)C 2296295953 IRXQMKTVHJOVLN-VQIMIIECSA-N 437.422 5.108 30 10 IKEE COc1cc(C=C2SC(=Nc3ccc(C)cc3)NC2=O)ccc1OCc1ccccc1 2296738451 XAJZRDVQUQZTAJ-UHFFFAOYSA-N 430.529 5.474 30 10 IKEE O=C1ON=C(c2ccccc2)C1=Cc1ccc(OCc2ccc(Br)cc2)cc1 2296739206 DWSVNSQDALKEOT-UHFFFAOYSA-N 434.289 5.373 30 10 IKEE COc1ccc(-c2nc3cc(N=CC=Cc4cccc(Br)c4)ccc3o2)cc1 2297215046 SWOFXPMZCKNEKO-UHFFFAOYSA-N 433.305 6.682 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc3c(c2)OCO3)cc1)c1ccc(-c2ccccc2)cc1 2314429913 RKFOEZQSWGLNAB-UHFFFAOYSA-N 448.474 6.198 30 10 IKEE COc1ccc(COc2ccc3c(c2)OC(=Cc2ccc(-c4ccccc4)cc2)C3=O)cc1 2314437202 GDYSJDHFYAACTJ-UHFFFAOYSA-N 434.491 6.557 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)C1(NC(=O)OC(C)(C)C)CCCCC1 2318691452 RECFHELLUVNPHM-HXUWFJFHSA-N 443.588 5.856 30 10 IKEE CC(C)[C@H]1C[C@H](Nc2ccc(C#N)c(Br)c2)CN1C(=O)OCc1ccccc1 2321253766 UTPVZLWWVFNJLO-PZJWPPBQSA-N 442.357 5.168 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1OCC(=O)Nc1ccccc1F 2323230600 NKEKNORZSCJKRT-UHFFFAOYSA-N 441.405 5.026 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cccc(OCc3c(Cl)cccc3Cl)c2)c(C)c1 2323302983 VBVXHXPHHCRXDQ-UHFFFAOYSA-N 425.355 7.394 30 10 IKEE CCCOc1c(OCC)cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-] 2323352787 RUECDPFWSDEJFN-UHFFFAOYSA-N 431.488 6.345 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cc1 2323464903 ALKBTXKFXRJYAV-UHFFFAOYSA-N 437.898 5.955 30 10 IKEE CC(C)COc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)c1 2323579687 JXJYSRXJQUQWGR-UHFFFAOYSA-N 448.902 6.210 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Cl)c1OCc1ccccc1Cl 2323851972 BFAJMEFGEMOOQM-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1OCc1ccc(C)cc1 2324332092 NHBIXVLSRYPIPR-UHFFFAOYSA-N 448.990 7.366 30 10 IKEE COc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 2324395009 KAWNUQRLQVLOCE-KRWDZBQOSA-N 429.328 6.015 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccco3)n2)cc1OCCC 2324474446 ZFFHUXADCSSDKY-LJQANCHMSA-N 436.533 5.870 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@H](C#N)C(=O)C=Cc2ccc(Cl)cc2)n1 2324847585 BMILMQLYFLDKPC-QGZVFWFLSA-N 429.328 6.015 30 10 IKEE CCOc1ccccc1NC(=O)COc1ccc2c(c1)OC(=Cc1ccc(C)cc1)C2=O 2324893441 CPAATDKCZYHSGT-UHFFFAOYSA-N 429.472 5.027 30 10 IKEE CCOc1ccc(C=Nn2c(C)nnc2SCc2cccc3ccccc23)cc1OC 2325631683 HKOQGCWWDDJZES-UHFFFAOYSA-N 432.549 5.322 30 10 IKEE COc1cccc(CCC(=O)Oc2cc(C=CC(=O)c3ccccc3OC)ccc2OC)c1 2325723288 QLCRVXWQRGEPFC-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4cccc(C)c4)c3C)C2=O)cc1 2325727304 CYLGZBDBJDNJDO-UHFFFAOYSA-N 443.499 5.336 30 10 IKEE Cc1cc(C)c(NC(=O)COc2ccc3c(c2C)OC(=Cc2cccs2)C3=O)c(C)c1 2325736855 YWEGDTCKKATDTQ-UHFFFAOYSA-N 433.529 5.615 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2cccc(C=CC(=O)c3ccc(Cl)c(Cl)c3)c2)c1 2325737113 SSNGTJULKWMCFT-UHFFFAOYSA-N 439.338 6.654 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3ccccc3CC)c2)cc1 2325739462 XIQMVRYEEPUORQ-UHFFFAOYSA-N 444.527 5.918 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cc(C)cc(C)c3)c2)c1 2325743888 AUIFAMLCGFFHOL-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OC(=O)c1ccc(C)c(C)c1 2325764356 UPDJVNPUAVHVSU-UHFFFAOYSA-N 428.528 6.353 30 10 IKEE Cc1ccc(CSc2nnc(C)n2N=Cc2c(Cl)ccc(Cl)c2Cl)cc1 2326296087 DBLQQVSYJFLXLA-UHFFFAOYSA-N 425.772 6.030 30 10 IKEE CCOc1ccc(C=Nn2cnnc2SCc2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 2326315391 HYJSSZRGAXQSPP-UHFFFAOYSA-N 439.541 5.057 30 10 IKEE Cc1cccc(OCc2nnc(SCCc3ccccc3)n2N=Cc2cccnc2)c1C 2328849916 WWDLMKQDZNKYNZ-UHFFFAOYSA-N 443.576 5.086 30 10 IKEE Cc1cccc(C=Nn2c(CCOc3ccccc3)nnc2SCc2ccccc2F)c1 2329192744 RNQKNTJVHIKOKT-UHFFFAOYSA-N 446.551 5.522 30 10 IKEE Cc1ccc(C)c(CSc2nnc(COCc3ccccc3)n2N=Cc2ccccn2)c1 2329343018 UUSZFDGRPFKIKE-UHFFFAOYSA-N 443.576 5.181 30 10 IKEE CSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1cccc(OCc2ccccc2)c1 2329378640 HEPFAQCFVBTASP-UHFFFAOYSA-N 442.588 5.669 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)cc3)n2N=Cc2cccc(O)c2)cc1 2329936241 HCTGMAOJROIYAN-UHFFFAOYSA-N 428.561 5.366 30 10 IKEE C=CCSc1nnc(CC2CCCCC2)n1N=Cc1ccc(OCc2ccccc2)cc1 2330277513 JLVANNZXUKVJAC-UHFFFAOYSA-N 446.620 6.140 30 10 IKEE Fc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C2CCCC2)cc1 2331103588 AKYZYLMMFJQCRQ-UHFFFAOYSA-N 432.927 6.042 30 10 IKEE CCc1ccc(CCC(=O)Oc2c(Cl)cc(C=CC(=O)c3ccccc3)cc2OC)cc1 2331159584 PCHOIURDHUKEIK-UHFFFAOYSA-N 448.946 6.345 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)c(C)c1 2331216330 WWUUJONEZMZYBR-UHFFFAOYSA-N 435.863 5.980 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)Cc1ccccc1[N+](=O)[O-] 2331232903 XIAQBSGIMSCVSD-UHFFFAOYSA-N 445.471 5.264 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)Cc1ccc(C)cc1 2331312059 ANQOJQJHMXNGLG-UHFFFAOYSA-N 448.946 6.318 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1N=Cc1ccc(CC)cc1 2331320124 JHZZJRNZMUFICY-UHFFFAOYSA-N 449.624 5.413 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)c1cc(C)cc(C)c1 2331326505 CIHPHYMPCVBWJA-UHFFFAOYSA-N 428.528 6.434 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(C)c3)cc2)cc1 2331332828 RUOBVTDUDMVJPZ-UHFFFAOYSA-N 432.491 6.103 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccc(Cl)cc3)cc2)cc1F 2331451301 OFXCDKDKLSYDMH-UHFFFAOYSA-N 438.882 5.922 30 10 IKEE COc1cccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2Cl)c1 2331523292 NPHXWZRHGNJLBL-UHFFFAOYSA-N 440.854 5.368 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(F)cc1F 2331708319 CJNVFRLSUATTRJ-UHFFFAOYSA-N 441.334 6.161 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)CC(C)(C)C)c([N+](=O)[O-])c1 2331757249 QTGYPSPITSWTIC-UHFFFAOYSA-N 445.899 5.803 30 10 IKEE CCOc1cc(C=NNc2oc(Cc3cccc4ccccc34)nc2C#N)ccc1OC 2331932568 ARKCGPCUGWDOKM-UHFFFAOYSA-N 426.476 5.144 30 10 IKEE CCc1csc(C#C[C@H](O)c2cc(Cl)c(NC(=O)OC(C)(C)C)c(Cl)c2)n1 2363954467 JVTXUSXSXMALQT-HNNXBMFYSA-N 427.353 5.444 30 10 IKEE CC1(C)C[C@@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN1Cc1ccccc1 2365105017 VEMFUNLCKJZSRJ-QHCPKHFHSA-N 447.432 5.581 30 10 IKEE C=CCN1C(=O)c2ccccc2Sc2ccc(C(=O)NCc3ccccc3Cl)cc21 3040716 CTEKTWQKNALCTE-UHFFFAOYSA-N 434.948 5.567 30 10 IKEE CCOc1ccccc1/N=C1\SC[C@H](C)N1C(=O)C1c2ccccc2Oc2ccccc21 3330867 MTQXMUIZZNAIMP-PZDLKQIWSA-N 444.556 5.975 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)/C=C\c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 6459946 HJWJEHRGWLNEIU-XYSUMVETSA-N 440.455 5.086 30 10 IKEE CCOC(=O)N1CCc2c(sc(NC(=O)c3sc4ccccc4c3Cl)c2C#N)C1 9383037 HKZLSTPIMSBELY-UHFFFAOYSA-N 445.953 5.255 30 10 IKEE O=C1CCCC2=C1[C@H](c1cccs1)n1nc(SCc3cccc(Cl)c3)nc1N2 9608560 IVRVANVSQNUEOW-SFHVURJKSA-N 428.970 5.307 30 10 IKEE O=C(O)c1ccccc1/C(=N/Nc1cccc(Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1 20615073 SIBZYMXOYFAVTC-LYBHJNIJSA-N 430.247 5.464 30 10 IKEE COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)cc1Cl 21221603 SVLXZWZSESYNRK-WGDIFIGCSA-N 448.925 6.467 30 10 IKEE O=C(/C=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cccc(NC(=O)c2ccco2)c1 35568982 UVOWFWFPAMDGAU-BENRWUELSA-N 428.400 5.596 30 10 IKEE C=C(Br)Cn1c([C@H]2CC(=O)N(c3cccc4ccccc34)C2)nc2ccccc21 39826805 ORNIQKYZUQSTES-SFHVURJKSA-N 446.348 5.619 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccc(OCCC)c1 40097549 LATGDOYEKLPJDH-HSZRJFAPSA-N 433.504 5.600 30 10 IKEE C=CCc1ccc(OCCCCn2c(CCCNC(=O)CC)nc3ccccc32)c(OC)c1 40204071 VSNBDWCMVVPFLZ-UHFFFAOYSA-N 449.595 5.091 30 10 IKEE Cc1ccc(N2C(=O)C[C@@H](S/C(=N/c3ccccc3)NCc3ccccc3)C2=O)c(C)c1 59446204 JNRSJYNKUSQAPF-HSZRJFAPSA-N 443.572 5.146 30 10 IKEE CCCCCCCc1c(C)nn(C(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)c1C 100458478 NVQWWCUTYCOECY-UHFFFAOYSA-N 438.399 6.379 30 10 IKEE CCCCCCCCn1c(CCCNC(=O)c2ccc(Cl)cc2)nc2ccccc21 102155281 UNBFBTNZVPEZNJ-UHFFFAOYSA-N 426.004 6.413 30 10 IKEE Cc1ccc(N2C(=O)C[C@H](S/C(=N/c3ccccc3)NCc3ccccc3)C2=O)c(C)c1 105533477 JNRSJYNKUSQAPF-QHCPKHFHSA-N 443.572 5.146 30 10 IKEE CN1C(=S)N[C@H](c2ccccc2OCc2ccc(Cl)c(Cl)c2)C2=C1CCCC2=O 169936870 WBRFLWCLCOTFJV-OAQYLSRUSA-N 447.387 5.441 30 10 IKEE Cc1ccc(-c2csc(N/N=C\c3cc(Cl)c(OC(C)C)c(Cl)c3)n2)cc1C 169942071 ASUKENIPHNBOSG-VROXFSQNSA-N 434.392 6.967 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(O)cc2)c1C 169960916 GJOQIFABMJSPSR-DEOSSOPVSA-N 439.467 5.538 30 10 IKEE CCCCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(CC)cc3)[C@@H]2c2ccccn2)cc1 169993520 QMFSCOACVOBYFP-VWLOTQADSA-N 440.543 5.770 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@H]2c2ccncc2)c(C)c1 170022007 BVMQHKSVEJLWGQ-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@H]2c2ccncc2)c1 170022044 LOBXHQARHZTDAF-QFIPXVFZSA-N 448.906 5.225 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 170029546 KQZVUCDSJRSEHO-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(F)cc2)cc1C 170063499 SVLJMGABBFJDAU-QHCPKHFHSA-N 426.447 5.097 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc(OC)c2)cc1 170119314 HZQYRMVKVQRVJT-XMMPIXPASA-N 449.547 5.395 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2C2CCCC2)c1 170121494 JGOASIQWABFLPH-DEOSSOPVSA-N 449.547 5.251 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1ccccc1OC(C)C 170151012 AUANQUCLCHMAHP-OSPHWJPCSA-N 449.547 5.176 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccs2)c1 170162375 RXWQQMKYLFNAKI-NRFANRHFSA-N 437.517 5.154 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccn1 170173018 VBPMJXGGGOLXON-HSZRJFAPSA-N 442.515 5.171 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccncc1)c1ccc(Cl)c(Cl)c1 170200049 NGNCXYJUFZCIQD-IBGZPJMESA-N 443.261 5.310 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@@H]1c1cccc(OCC)c1 170217851 YKUVARJPFYZMET-QHCPKHFHSA-N 437.536 5.089 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1ccc(O)c(Cl)c1 170219595 GUSNJUMAUJCTBH-NRFANRHFSA-N 443.927 5.211 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)cc(C)c3OC)[C@H]2c2ccccc2)c1 170221350 XIQZHCJLBCPRFB-HSZRJFAPSA-N 443.499 5.104 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccc(O)c2)c1 170258476 VLQFCUHTQLZDFQ-QHCPKHFHSA-N 425.440 5.230 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1c1cccc(F)c1 170270755 HPUOLODAXHZGCO-DEOSSOPVSA-N 445.490 5.704 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2C)cc1C(C)C 170278395 QWXQVDPIYDQDII-DEOSSOPVSA-N 433.548 5.648 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(C4CCCC4)[C@H]3c3ccccc3C)oc12 170278554 PXTFAEFCIXVGKQ-QFIPXVFZSA-N 431.488 5.271 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccco2)c1 170286016 TZVUMOPYKLVJPK-NRFANRHFSA-N 437.879 5.341 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccco2)cc1 170292679 RDOZLJHXAIQLGH-HSZRJFAPSA-N 446.503 5.022 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(C)o2)cc1C 170303977 IGZUVELGTASWFS-QHCPKHFHSA-N 431.488 5.305 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2ccc(F)cc2)o1 170311200 WAQIBYMLPHPRHU-QFIPXVFZSA-N 431.419 5.252 30 10 IKEE CC(C)C(=O)C1=C(O)C(=O)N(c2nc3ccc(C(C)C)cc3s2)[C@@H]1c1cccs1 170477700 KBFRCUFRCFAZPR-GOSISDBHSA-N 426.563 5.606 30 10 IKEE CC(C)c1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccccn3)sc2c1 170479425 QKPASUBTFXZVNI-HXUWFJFHSA-N 445.500 5.191 30 10 IKEE C=C(C)COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc3c(c1)c1ccccc1n3CC)N2 226687021 DDLSFWQYCHTJTL-ROZHPIASSA-N 434.583 7.596 30 10 IKEE CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)SC1=Nc1cccc2ncccc12 254836172 OOZYLMDLLGLYEG-XJIBWINFSA-N 448.573 5.237 30 10 IKEE CN1/C(=C2\SC(=Nc3ccccc3)N(c3ccc(O)cc3)C2=O)Sc2ccccc21 254904891 HWWXRDDOQICNPQ-QLMUGPIMSA-N 431.542 5.571 30 10 IKEE CCN(CC)c1ccc2c(c1)O[C@@H]1CC(=[N+](CC)CC)CC[C@H]1[C@H]2c1ccccc1C(=O)O 504643096 HNBUJSWRNUREIK-IEUSDUHPSA-O 449.615 5.417 30 10 IKEE CN(C)c1ccc([C@@H]2C[C@]3(C)[C@H](CC[C@@]3(O)CCCO)[C@H]3CCC4=CC(=O)CCC4=C23)cc1 504820524 IEXUMDBQLIVNHZ-GVMAANQSSA-N 449.635 5.156 30 10 IKEE biogenic CC(C)Oc1ccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526489253 PNZPPBJTDCGSBH-XMMPIXPASA-N 428.463 5.542 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@@H]2c2cccc(C(F)(F)F)c2)c1 526520173 GMWZWANVQZKAGI-NRFANRHFSA-N 438.380 5.773 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)cc1 526606038 BXUJLLSHPVUOBX-OAQYLSRUSA-N 437.282 5.628 30 10 IKEE CCCc1nnc(SCc2ccccc2)n1/N=C\c1ccccc1OCc1ccccc1 526799102 BHVITOWBRGDSKV-IMRQLAEWSA-N 442.588 5.984 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1ccc(OC)c(OC)c1Cl 526805771 RWWXVNDWRZZNPD-CFRMEGHHSA-N 444.988 5.384 30 10 IKEE FC(F)(F)Sc1cc(C(F)(F)F)c(I)c(C(F)(F)F)c1 575340670 VLKKKQIAMSRTCR-UHFFFAOYSA-N 440.068 5.941 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)c1 586003142 ZFLZZAGNGXPPMP-JOCHJYFZSA-N 439.987 5.212 30 10 IKEE C=C(C)CN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(Cl)ccc1OC 586154490 AXSXTYZAMNDDJA-UHFFFAOYSA-N 433.879 5.134 30 10 IKEE CCn1nc(C)c([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)c1C 698455881 GHLREXRUASAZIH-KRWDZBQOSA-N 433.350 5.289 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)SC1=Nc1ccc(C)cc1 1772724997 JLNYRRRZBLYUMU-JXJWTFEASA-N 444.512 5.743 30 10 IKEE Cc1cc(C)cc(NC(=S)N/N=C\c2cn(-c3cccc(C)c3)nc2-c2cccs2)c1 1857808489 AMYSHCQSMVCLOO-QFEZKATASA-N 445.617 5.847 30 10 IKEE CCCCCCCCNC(=O)[C@@H](NC(=O)/C=C/c1ccc(C(C)C)cc1)c1ccccc1 1861550921 XHGLPBSQYJOXPO-YJRBMFNESA-N 434.624 6.157 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cccc2ccccc12 1861722185 KKCKJIPZDZDGPN-SANMLTNESA-N 448.582 5.797 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2cccc(Cl)c2)n(Cc2cccc(Cl)c2)n1 1862339945 GYFRFFHMQSUMGX-UHFFFAOYSA-N 426.347 5.719 30 10 IKEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccccc2F)cc1 1862474085 KCJSSZDOAPZNRZ-MZNJEOGPSA-N 445.490 5.482 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2F)cc1 1862474730 SPKOLFXFSKVNSS-DEOSSOPVSA-N 429.491 5.264 30 10 IKEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc(O)c2)cc1 1862475656 RJYYHUUECUPOOZ-OSPHWJPCSA-N 443.499 5.049 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2ccccc2Cl)cc1 1862477671 ZZZFZRDGSVGRNG-XMMPIXPASA-N 445.946 5.860 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)cc1 1862489201 RLEXEXFROHUXGK-DNVKUUNQSA-N 431.576 6.023 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cc(Cl)c(O)c(OC)c1 1862497405 JNWUYCOZLVTLJU-VBKZILBWSA-N 443.927 5.048 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 1862533483 LMAALVUXNHHCDM-JOCHJYFZSA-N 436.508 5.316 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862535362 YOWFKBANJLDRLD-GJQIQAERSA-N 445.603 6.529 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(N(C)C)cc1 1862559682 UOHXWGXOTKLKPD-DEOSSOPVSA-N 449.595 5.274 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1c(Cl)cccc1Cl 1862562457 GGEFBPWJLRPRHV-LJQANCHMSA-N 433.335 5.200 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)c1 1862598062 QXRRUCATQGNGAX-MZNJEOGPSA-N 443.499 5.130 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2F)cc1 1862617033 UBPUWVPZSWBVTG-HSZRJFAPSA-N 435.539 6.034 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(Br)cc1 1862670662 ZINRRNHMVZKWPA-IBGZPJMESA-N 428.326 5.171 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862674419 WFWCJEMDYZUYRI-QHCPKHFHSA-N 435.495 5.303 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(F)cc2)=C(O)C(=O)N1Cc1ccccc1Cl 1862674923 XQOYFUSHBVOSJG-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(Cl)cc1Cl)c1ccc(F)cc1 1862683910 WERBYSVJFMSPMI-IBGZPJMESA-N 434.294 5.653 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(CC)cc1 1862687254 IOUYEXWRLCVVQM-WIOPSUGQSA-N 449.591 6.195 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc(Cl)c1 1862711901 FLRMLSAVWZUNIK-XMMPIXPASA-N 447.962 6.652 30 10 IKEE O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c[nH]c2c(F)ccc(F)c2c1=O 1866421003 KUBLNIFIGBPCDI-UHFFFAOYSA-N 436.258 5.096 30 10 IKEE CCCC[C@@H](NC(=O)[C@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866964476 WAVSOCMBPPXAHI-RPBOFIJWSA-N 433.596 5.735 30 10 IKEE COc1ccc(CCn2cc(OCc3ccc(C#N)cc3)c(=O)cc2CSC(C)C)cc1 1870233643 ZTHAIKWFJICIOM-UHFFFAOYSA-N 448.588 5.192 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2Cl)c(CN2CCC[C@@H](C)C2)cc1=O 1870409652 YNKQMQRCPGFAET-OAQYLSRUSA-N 445.047 6.131 30 10 IKEE C=CCn1cc(OCCCOc2ccc(C)cc2)c(=O)cc1CN(CCCC)CCCC 1870776500 QBHKZXZCPZORFN-UHFFFAOYSA-N 440.628 5.593 30 10 IKEE C=CCOc1cn(CCCCc2ccccc2)c(CNc2cccc(NC(C)=O)c2)cc1=O 1870809470 DRASQGRDOHBLJZ-UHFFFAOYSA-N 445.563 5.007 30 10 IKEE C=CCOc1cn(Cc2ccccc2Cl)c(CNc2ccc(Cl)cc2C)cc1=O 1870810009 HCDGZIKHGOPQGS-UHFFFAOYSA-N 429.347 5.689 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(O)cc2)c(CNc2ccc(CC)cc2)cc1=O 1870839547 PDWSAJXBBWJERH-UHFFFAOYSA-N 448.607 6.126 30 10 IKEE CCOc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccccc2F)C4)cc1 1871346915 JACOPJNQZZLAQT-CFRMEGHHSA-N 445.490 5.501 30 10 IKEE CN(C)c1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3cccc(Cl)c3)CO4)C2=O)cc1 1871348134 SRVYHBXJTUHBHX-CFRMEGHHSA-N 446.934 5.374 30 10 IKEE COc1ccc([C@H](C)N2COc3c(cc4c(c3C)O/C(=C\c3ccc(F)cc3)C4=O)C2)cc1 1871359615 SKPKCMCTZNYNEM-VJUVOTIISA-N 445.490 5.672 30 10 IKEE Cc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1[N+](=O)[O-] 1871375203 YRIPCDWCMKXYRT-NHDPSOOVSA-N 449.846 5.700 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(C)c2)C3=O)c1 1871388226 ZITBVRGYQBKVSY-IWIPYMOSSA-N 428.484 5.928 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2OC)C3=O)c1 1871388521 AELGUHXIMYYDKX-IWIPYMOSSA-N 428.440 5.095 30 10 IKEE C=CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871389676 JRIZWUZGHNJVGI-UCQKPKSFSA-N 430.431 5.534 30 10 IKEE COc1ccc(CCOc2ccc3c(c2C)O/C(=C\c2cccc(OC)c2OC)C3=O)cc1 1871448701 WPRQEERNNUBMEG-JLPGSUDCSA-N 446.499 5.259 30 10 IKEE C=CCN(CC=C)c1nc(=NCc2ccccc2C)nc(Nc2ccc(C(C)(C)C)cc2)[nH]1 1871553375 JSNFLGGCKTUBAI-UHFFFAOYSA-N 442.611 5.434 30 10 IKEE CCCCCCCCCCN=c1nc(N(CC)CC)[nH]c(=Nc2ccc(F)c(F)c2)[nH]1 1871687039 PXUKGDVCILCOGG-UHFFFAOYSA-N 434.579 5.136 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(CCCC)cc1)c1ccccc1)S(=O)(=O)C1CC1 1871833718 SIXWQXWEZSNSSU-DEOSSOPVSA-N 440.609 5.079 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(CC)cc1)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 1872090712 VWYCTDLVWYDXMC-RUZDIDTESA-N 448.588 5.114 30 10 IKEE N#C[C@H](C(=O)c1cc(Cl)ccc1Cl)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872762784 WPMNBTVPUBBKLM-CYBMUJFWSA-N 442.154 6.914 30 10 IKEE CCCCCCCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3F)n2)cc1 1872777305 KPRTWKBXGYNIPA-NRFANRHFSA-N 436.552 6.788 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(C)ccc2OC(C)C)=C(c2cccnc2)C1=O 1873269129 LWWFXKOEZUCKDM-UHFFFAOYSA-N 449.595 5.730 30 10 IKEE N#Cc1nc(-c2cccs2)oc1N/N=C/c1ccccc1OCc1ccccc1Cl 1873462240 URDODGFBJZWMIO-DHRITJCHSA-N 434.908 5.953 30 10 IKEE CSc1nnc(CCCOc2ccccc2C)n1/N=C/c1ccc(Cl)cc1Cl 1874248104 LGCOITJHFIHZLY-YDZHTSKRSA-N 435.380 5.509 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccc(OCC)cc1 1874264804 BGPACINPDKJKML-ZMOGYAJESA-N 442.972 5.460 30 10 IKEE Cc1ccsc1/C=N/n1c(Cc2ccc(Cl)cc2)nnc1SCc1ccccc1 1874342194 DYSMYADUQMWEQR-ZVHZXABRSA-N 439.009 6.067 30 10 IKEE Oc1cccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2-c2ccccc2Cl)c1 1874364647 NTXZBSMLLCQGLZ-DHRITJCHSA-N 438.915 5.618 30 10 IKEE Oc1cccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCc2ccc(F)cc2)c1 1874378041 BHRDSVDOQOWCHN-VULFUBBASA-N 436.487 5.027 30 10 IKEE Cc1ccccc1/C=N/n1c(COc2ccccc2)nnc1SCc1ccccc1F 1874384282 HYALZYBADIXGKR-CVKSISIWSA-N 432.524 5.479 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2c[nH]c3ccccc23)cc1 1874389151 IPWRXWKVHBHKGI-OGLMXYFKSA-N 437.572 5.833 30 10 IKEE Fc1ccccc1/C=N/n1c(CC2CCCCC2)nnc1SCc1ccccc1F 1874408093 GOQKHJOSWQKROJ-CVKSISIWSA-N 426.536 5.854 30 10 IKEE Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1sccc1C 1874427142 SMOBFIAEJKGWKO-ZVHZXABRSA-N 447.589 5.236 30 10 IKEE Clc1ccc(CSc2nnc([C@H]3CCCO3)n2/N=C/c2ccccc2)c(Cl)c1 1874450405 AUVPTFZDIVAXDL-BYWZACNXSA-N 433.364 5.611 30 10 IKEE FC(F)(F)c1nnc(SCc2cccc(Cl)c2)n1/N=C/c1c[nH]c2ccccc12 1874462891 JOLZLKJLDJEHSH-KIBLKLHPSA-N 435.862 5.606 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(C(F)(F)F)n1/N=C/c1cccc(Cl)c1 1874463496 MLNRWRSMKHTWQI-KTZMUZOWSA-N 449.260 5.917 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccco3)n2/N=C/c2ccccn2)c(Cl)c1 1874468500 KQVKXFVIDOHGPW-FOKLQQMPSA-N 430.320 5.414 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2-c2ccco2)c1 1874469038 KQEDIZSSSKOSHC-BHGWPJFGSA-N 442.903 5.519 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874488065 WUXLIIWUHFHBQJ-RPPGKUMJSA-N 436.478 5.809 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C2CCC2)cc1 1874497281 CZHOEPONTJCOGF-WYMPLXKRSA-N 447.391 6.036 30 10 IKEE O=C(COc1ccc2ccccc2c1/C=C/C(=O)c1ccccc1Cl)Nc1nccs1 1874575127 XBAXZCMYPBEIHE-ZHACJKMWSA-N 448.931 5.863 30 10 IKEE O=C(COc1cccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c1)NCc1ccccc1 1874593200 XLIMINDQVLMSIF-DTQAZKPQSA-N 425.528 5.157 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OCc3cc(C)ccc3C)c2)c(OCC)c1 1874600408 KSPGOQWEQXFHSM-NTCAYCPXSA-N 430.544 6.576 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc(Cl)c1OCC(N)=O 1874601354 HGVGIFWWHGMLTG-MDWZMJQESA-N 435.907 5.166 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCc3nc(O)c4ccccc4n3)c(Cl)c2)cc1 1874604303 FSXZQHZSOLMXNG-UKTHLTGXSA-N 444.918 6.026 30 10 IKEE Cc1ccc(C)c(COc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2[N+](=O)[O-])c1 1874610927 SXACDDBNOKCWEN-VZUCSPMQSA-N 432.432 5.595 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Br)c2)ccc1OCc1ccccc1F 1874610958 UNYLDWIRANXGME-PKNBQFBNSA-N 441.296 6.072 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C 1874616858 WVGZIVJLKSUTFL-NTEUORMPSA-N 443.543 5.924 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2OC)o1 1874624930 DGCLEHRMMRICNX-AWNIVKPZSA-N 448.515 6.063 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OCCc2ccccc2)c([N+](=O)[O-])c1 1874638959 AMIIGARHBXOMCF-JXMROGBWSA-N 437.879 5.774 30 10 IKEE Cc1cccc(C)c1OCC(=O)Oc1cccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1 1874692680 SIKAVISLLKZLTM-OUKQBFOZSA-N 431.444 5.092 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1OC(=O)C1CCCC1 1874696938 JJGMCBCHNLHTKY-WUXMJOGZSA-N 429.310 5.449 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@H]3C[C@H]3c3ccccc3Cl)c2)cc1C 1874714237 LGKZHNGAYZWZNV-QAYVAONCSA-N 430.931 6.562 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1OC(=O)CCCSC 1874716045 YMWVHSYORFGCHS-JLHYYAGUSA-N 440.605 6.246 30 10 IKEE CCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1OC 1875081037 YUVCPHKQACGBGB-LFIBNONCSA-N 430.500 5.972 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(Cl)c3)c(Cl)c2)cc1 1875114180 NIVDAOFXAAQJRF-VZUCSPMQSA-N 427.283 6.117 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1 1875117047 GJZXIMTYRPYEHG-LICLKQGHSA-N 437.451 5.792 30 10 IKEE O=C(CCOc1ccccc1)Oc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1Cl 1875121496 SFQKNBZAJSGGMS-PKNBQFBNSA-N 441.310 6.264 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC(=O)c1cc(C)cc(C)c1 1875122269 VIHIHHBPWPKLAT-CSKARUKUSA-N 434.919 6.471 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2[N+](=O)[O-])cc1 1875125998 KZKKDBXJVLETPN-WUXMJOGZSA-N 435.863 5.601 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 1875126152 SCPPFVDCOYNNRS-QQDOKKFESA-N 425.799 5.503 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)CCCOc1ccccc1 1875127674 RQQNSQBNCQAPRD-FOCLMDBBSA-N 446.499 5.365 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cc(Cl)c(OC(=O)C(C)(C)C)c(OC)c2)cc1C 1875187271 WCQSIPRAFKGHGL-CMDGGOBGSA-N 430.928 5.822 30 10 IKEE O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cc(C(F)(F)F)ccc1C(F)(F)F 1892017472 XSPVRUQCAQEEOK-UHFFFAOYSA-N 437.283 5.544 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1ccccc1CCNC(=O)OC(C)(C)C 1922078788 ZUTSNIQFAKYLPI-RUZDIDTESA-N 438.612 5.568 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@]1(C#N)CCN(Cc2ccccc2)CC12CCC2 1934056212 BXFLVOJJLCJHAP-NDEPHWFRSA-N 445.607 5.762 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@H]1CNC(=O)OC(C)(C)C 1944588090 IKRYMOIOFHPMJD-UUOWRZLLSA-N 429.561 5.324 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1csc(Cl)c1 1948779975 OUBBPRAIZXONBK-CQSZACIVSA-N 427.751 6.170 30 10 IKEE C#CCCN(C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C)C(C)(C)C 1984726169 XNHMZLVZTCTQNZ-VWLOTQADSA-N 446.591 5.200 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCC[C@@H]2CNC(=O)OC(C)(C)C)c1 2032217266 PCZCXBDVUNBWIH-CLOONOSVSA-N 443.588 5.714 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(Cl)cc1)c1ccc(F)c(F)c1 2033814316 ONEWXQUXISHYGD-IBGZPJMESA-N 445.874 5.458 30 10 IKEE O=C(C=Cc1nc2ccccc2[nH]1)c1c(O)nc2ccccc2c1-c1ccc(Cl)cc1 2042435526 JDOQEYGHPDCRNU-UHFFFAOYSA-N 425.875 6.033 30 10 IKEE C=CCN1CC[C@@H](NC)[C@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071343361 CIRDJHLLNFQWTL-LEAFIULHSA-N 428.576 5.365 30 10 IKEE Cc1cc(O)c([C@@H](C2CCC2)n2nc(C(F)(F)F)c(C=NO)c2Br)cc1C 2080030662 PZKJFXBDWHADLS-OAHLLOKOSA-N 446.267 5.184 30 10 IKEE Oc1c2c(nc3c(-c4cccc(C(F)(F)F)c4F)c(C(F)(F)F)nn13)CCSC2 2081482739 JJSXKFVJFJZJFW-UHFFFAOYSA-N 437.340 5.068 30 10 IKEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Cl)cc(Br)c1 2081563231 TXVDWLBWVXAQFW-DLBZAZTESA-N 429.786 5.060 30 10 IKEE C=CCCCCCCCC[C@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)NC 2086260554 ATEIYTJFJIYPPH-RUZDIDTESA-N 445.692 5.908 30 10 IKEE CC[C@@H](C)C[C@@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)NC(C)C 2086490059 GZYPEGMHYPQOHV-LEAFIULHSA-N 434.672 5.317 30 10 IKEE N#Cc1cc(NCc2cc(Br)ccc2Br)ccc1Br 2088102892 SCBHBOCSGLAUBS-UHFFFAOYSA-N 444.952 5.458 30 10 IKEE C=C1CC(C[C@@H](NCCC)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1 2134734155 NZEXZIBHBAFXKA-MUUNZHRXSA-N 441.615 7.242 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cccc(Br)c1Cl 2136570913 MZNIARGSDSVBHF-WMZOPIPTSA-N 443.813 5.450 30 10 IKEE C=CC[C@@](C)(CNC(=O)OC(C)(C)C)COc1ncc(Br)c2ccsc12 2137387957 WYYFFVCPVIIZPQ-IBGZPJMESA-N 441.391 5.545 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](CNc2cc(Br)cc(C#N)c2)(C(C)(C)C)C1 2162291822 QVGURWAXSVANDS-OAQYLSRUSA-N 436.394 5.406 30 10 IKEE CN(Cc1cccc(CNc2cccc(Br)c2C#N)c1)C(=O)OC(C)(C)C 2162325795 BDCCPABJRLNSRU-UHFFFAOYSA-N 430.346 5.300 30 10 IKEE C[C@H](Nc1cc(Br)c(C#N)cc1F)[C@H](NC(=O)OC(C)(C)C)c1ccco1 2172876504 GDBQVASJMXYJPO-GTNSWQLSSA-N 438.297 5.119 30 10 IKEE N#C[C@H](C(=O)c1cc(Br)c(Cl)s1)c1ccc(F)cc1Br 2185184558 VWXCLWWEHDXUGN-QMMMGPOBSA-N 437.515 5.556 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 2220392742 NKYTZIISOHJNHF-XHNVNVPESA-N 449.636 5.874 30 10 IKEE Cc1ccc(I)c(Nc2cc(Br)c(C#N)cc2F)c1 2231919142 DXYVBMFAJKIWQF-UHFFFAOYSA-N 431.046 5.117 30 10 IKEE CC1(C)CC=C(C(=O)[C@@H](Cc2cccc(Br)c2)NC(=O)OC(C)(C)C)CC1 2237408894 KJCIUEDKFBOVGJ-GOSISDBHSA-N 436.390 5.591 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cccc(Cl)c1Br 2272013746 KNWSMHCHCBHIAI-WMZOPIPTSA-N 445.829 6.003 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Cl)cc([C@@H](N)C#Cc2cccc(Br)c2)c1 2278729111 ZLZCXENWNJSJIS-SFHVURJKSA-N 435.749 5.501 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)c1cscc1OCc1ccccc1 2278769751 SUPAWBQRFWJPPE-NRFANRHFSA-N 426.379 5.792 30 10 IKEE CC(C)N(C[C@H]1CCCCN1C(=O)OC(C)(C)C)c1c(Br)cccc1C#N 2285189277 CQCLQHBVKUNYGM-QGZVFWFLSA-N 436.394 5.325 30 10 IKEE Cc1ccc([C@H](N)C#Cc2cccc(Br)c2)c(NC(=O)OC(C)(C)C)c1C 2296215945 FXFAEUXWDRWCIJ-LJQANCHMSA-N 429.358 5.464 30 10 IKEE COC(=O)c1ccc(COc2ccc3c(c2)OC(=Cc2cn(C)c4ccccc24)C3=O)cc1 2296597307 CRDSAOQBPKAMPV-UHFFFAOYSA-N 439.467 5.160 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(OCCCOc3ccccc3Cl)cc2)SC1=S 2297624730 HUJYIEFRZSSVJI-UHFFFAOYSA-N 445.993 5.575 30 10 IKEE Cc1c(OCc2c(Cl)cccc2Cl)ccc2c1OC(=CC=Cc1ccccc1)C2=O 2321779763 FQYLZPIOPSIQPG-UHFFFAOYSA-N 437.322 7.053 30 10 IKEE Cc1cc(OCc2ccc(F)cc2Cl)cc2c1C(=O)C(=Cc1ccc(N(C)C)cc1)O2 2321862901 GQODPWMQLBJSIN-UHFFFAOYSA-N 437.898 6.049 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O3)CN(C[C@@H]1CCCO1)CO2 2321961925 LCAMSINGFVBDNM-HNNXBMFYSA-N 446.330 5.249 30 10 IKEE CCCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1cn(C)c2ccc(OC)cc12)C3=O 2322051043 VLQXPGYEWVEIKW-UHFFFAOYSA-N 446.547 5.454 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccccc1Cl)O3)CN(Cc1ccccc1F)CO2 2322056778 KYVHCOZNNLHNQZ-UHFFFAOYSA-N 435.882 5.756 30 10 IKEE Cc1cccc(NC(=O)COc2ccccc2C=CC(=O)c2ccc3c(c2)CCCC3)c1C 2322328589 BWWWVRXUROEASR-UHFFFAOYSA-N 439.555 6.096 30 10 IKEE CCCCCCCCN1COc2c(cc3c(c2C)OC(=Cc2sccc2C)C3=O)C1 2322415634 SIJVDPOCNCCGRY-UHFFFAOYSA-N 425.594 6.494 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1OCc1nc(O)c2ccccc2n1 2323118413 RWKOPRBJNQKTPN-UHFFFAOYSA-N 446.890 5.473 30 10 IKEE O=C1C(=Cc2c(F)cccc2Cl)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc21 2323150886 SGBKHEZFGIMPQR-UHFFFAOYSA-N 439.782 5.223 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)cc3C)c(OC)c2)cc1 2323485277 JWNHDACLYXILHE-UHFFFAOYSA-N 443.543 5.788 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)cc3C)c(Cl)c2)c1 2323486298 OCRMSUIRWPUXSI-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Br)cc2)cc(OC)c1OCC(=C)C 2323597200 DEHBTCZJOIJKPO-UHFFFAOYSA-N 427.338 6.037 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cc(C)cc(C)c3)c(Cl)c2)cc1 2323628399 BOOQORATBBXCGX-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE C=C(C)COc1c(Br)cc(C=CC(=O)c2ccc(F)cc2F)cc1OCC 2323740003 KJVCHUPFXCCBHE-UHFFFAOYSA-N 437.280 5.977 30 10 IKEE CCOc1cc(C=NNc2nc(-c3ccc(C)cc3C)cs2)cc([N+](=O)[O-])c1OC 2323870772 UFXZSYGQHQGVLD-UHFFFAOYSA-N 426.498 5.188 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc(OC)c1OCc1ccccc1 2323879904 PKHCRKPQUYJFDU-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE CC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(C)c2)C3=O)c1 2323900490 UVTLXUASTWYCPL-UHFFFAOYSA-N 428.440 5.064 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OCc3cccc(Cl)c3)c([N+](=O)[O-])c2)ccc1F 2323972719 NDIWBAAENLLUSX-UHFFFAOYSA-N 425.843 6.171 30 10 IKEE Cc1cc(O)c(CN2C[C@H](C)C[C@@H](C)C2)c2c1C(=O)C(=Cc1cn(C)c3ccccc13)O2 2324055109 AAUSMVDBEWCWNO-IAGOWNOFSA-N 430.548 5.286 30 10 IKEE C[C@H]1CCCN(Cc2c(O)ccc3c2OC(=Cc2ccc(-c4ccccc4)cc2)C3=O)C1 2324066465 PFTJSSWKZLHWET-IBGZPJMESA-N 425.528 5.907 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])c(C)c1 2324186228 OSPHFYCYGWQRFP-UHFFFAOYSA-N 448.450 5.264 30 10 IKEE Cc1ccc(OCCOc2cc(C)c3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)cc1 2324538611 RVNIOEWOYWEQNE-UHFFFAOYSA-N 431.444 5.286 30 10 IKEE CCCNC(=O)COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1OCC 2324585039 PQBXOCNJVIAMHP-UHFFFAOYSA-N 437.580 5.492 30 10 IKEE Cc1ccc(OCCCCOc2cc(C)c3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2324588683 FMSDYGRIHVJDKP-UHFFFAOYSA-N 448.946 6.811 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(OC)cc1OC 2325532713 SPEQHGCRWJUHTG-UHFFFAOYSA-N 444.988 5.466 30 10 IKEE CCCCCOc1ccc(C=Nn2c(C)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1 2325623572 LCZHWPGYRGKISA-UHFFFAOYSA-N 439.541 5.238 30 10 IKEE COc1cc(C=Nn2c(C)nnc2SCc2c(F)cccc2Cl)ccc1OC(C)C 2325642889 ZYYOTZFDSACVBN-UHFFFAOYSA-N 448.951 5.349 30 10 IKEE Cc1ccccc1CCC(=O)Oc1cccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)c1 2325746475 GNYSHQGTQQLWJK-UHFFFAOYSA-N 426.556 6.727 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1OC(=O)c1ccccn1 2325765197 ABVJSNUIWDTKBA-UHFFFAOYSA-N 429.516 5.811 30 10 IKEE CCCCCCC(=O)Oc1cc(C=CC(=O)c2cc(Cl)ccc2OC)ccc1OC 2325780974 ROCAGBFBYUYYHQ-UHFFFAOYSA-N 430.928 6.129 30 10 IKEE CCCSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1ccccc1F 2325884175 JUTGUZKTZWIOHC-UHFFFAOYSA-N 448.567 5.966 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(OC(C)C)cc1 2326252035 MNQXNJPLTSAVJU-UHFFFAOYSA-N 426.561 5.722 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1N=Cc1c(O)ccc2ccccc12 2326272654 NJSKKJRLKJAGIN-UHFFFAOYSA-N 434.540 5.793 30 10 IKEE Cc1cc(C)cc(CSc2nnc(CCc3ccccc3)n2N=Cc2cccc(F)c2)c1 2326418195 WLOPGOYWMOBROC-UHFFFAOYSA-N 444.579 5.994 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(O)c(Cl)c1 2326570192 AAEIAJBMJJNXSV-UHFFFAOYSA-N 439.343 5.557 30 10 IKEE CCSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc(Cl)c(Cl)c1 2327948454 BKIKEMVECGEPMD-UHFFFAOYSA-N 439.799 6.018 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CCc2ccc(Cl)cc2)nnc1SCC=C 2328075430 WOMUPUVNQDBCQA-UHFFFAOYSA-N 438.984 5.442 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2N=Cc2c(F)cccc2Cl)CC1 2328187148 ZWLUGJQIQBZJSP-UHFFFAOYSA-N 437.028 6.919 30 10 IKEE COc1ccccc1CCc1nnc(SCc2cccc(C)c2)n1N=Cc1cccs1 2328677715 VKQYUMFWAOQFLE-UHFFFAOYSA-N 448.617 5.616 30 10 IKEE Cc1ccc(C=Nn2c(Cc3ccc(Cl)cc3)nnc2SCc2cccc(C)c2)cc1 2329082319 PILZVVJDVSCCLN-UHFFFAOYSA-N 447.007 6.314 30 10 IKEE COc1ccc(C=Nn2c(COc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 2329883737 AHBTXAUVSDPSGK-UHFFFAOYSA-N 448.523 5.179 30 10 IKEE Cc1ccccc1CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1cccc(Cl)c1 2330057600 OYTOQEJBADPTMV-IBGZPJMESA-N 447.007 6.566 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@@H](C)c3ccccc3)n2N=Cc2ccccc2O)c1 2330109678 PBNQBNKBWQJDSB-FQEVSTJZSA-N 442.588 5.927 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2ccc(Cl)cc2)nnc1[C@@H](C)c1ccccc1 2330129138 OQJSMSKTXKDTGN-IBGZPJMESA-N 447.007 6.566 30 10 IKEE COc1ccccc1C=Nn1c(Cc2ccccc2)nnc1SCc1ccccc1C 2330458001 JJYCSHLWEANYDL-UHFFFAOYSA-N 428.561 5.360 30 10 IKEE C=C(C)CSc1nnc(Cc2ccccc2)n1N=Cc1cccc(Br)c1 2330491666 KBLVLDLCZBVKFE-UHFFFAOYSA-N 427.371 5.182 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3ccccc3C)nnc2-c2cccs2)c1 2330538020 WXXAIHVMKRQEML-UHFFFAOYSA-N 434.590 5.888 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1cccc(F)c1 2330642646 AVUNTBSAVCNAPT-UHFFFAOYSA-N 435.407 5.248 30 10 IKEE C[C@H](C(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1Cl)c1ccccc1 2330684514 MWLWUBMJYASCBR-IBGZPJMESA-N 444.958 6.824 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)cc(Br)c1OC(=O)C(C)C 2331079406 NHGJAYQADJHNAZ-UHFFFAOYSA-N 447.325 5.314 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2cccc(F)c2)nnc1C(F)(F)F 2331123955 SBHSPOHZTWRGKH-UHFFFAOYSA-N 436.434 5.175 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccn2)c(Br)c1)c1ccc(Cl)cc1 2331145305 DAKKQSNHKWADAS-UHFFFAOYSA-N 442.696 5.613 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)c(Cl)c2)c1 2331320085 HMEORCBKTIMUBV-UHFFFAOYSA-N 449.890 6.289 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)c1ccc(F)c(F)c1F 2331330803 IPJLVODWVSCYEL-UHFFFAOYSA-N 440.417 5.845 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2cccc3ccccc23)cc1OCC 2331477287 FITGEGODXMXTSP-UHFFFAOYSA-N 436.935 6.884 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)C(F)(F)F 2331707493 FRNWTPWDYNMJKT-UHFFFAOYSA-N 426.818 5.719 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)Cc2ccccc2F)cc1 2331780429 IREBNPKMEBXCRP-UHFFFAOYSA-N 430.519 6.476 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3cc(Cl)ccc3Cl)cc2)cc1 2331859140 RBKRGLBAAVHULS-UHFFFAOYSA-N 425.311 6.346 30 10 IKEE CCN[C@@H](C#C[C@H]1CC1(F)F)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2341058651 FLXZHYKXYXYGTH-WFASDCNBSA-N 429.305 5.105 30 10 IKEE C=C1CCC(C[C@@H](OCCN)c2sc(Cl)cc2I)CC1 2366694089 PJNMJFTZARZQJM-CYBMUJFWSA-N 425.763 5.159 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(Br)cccc2C#N)[C@H]1C(F)(F)F 2370159575 SLFNJSQPVUIESV-HIFRSBDPSA-N 448.283 5.063 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1c(C)c(C)c(Br)c(C)c1C 2375321899 HZTRGKSFKJDMPB-YLJYHZDGSA-N 437.422 5.250 30 10 IKEE N#Cc1cccc(C(=O)Nc2ccc(-c3cccc(-c4ccc5c(c4)OCCO5)n3)cc2)c1 23460738 CBIKYCIJGUKIDC-UHFFFAOYSA-N 433.467 5.311 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(CC)cc2)c1 33429611 OLWZJQHORGUKJM-XMMPIXPASA-N 445.515 5.409 30 10 IKEE N#Cc1c(-c2ccc(Br)cc2)cc(-c2cccc(Br)c2)nc1N 33780975 ACUMMPOVGQGARE-UHFFFAOYSA-N 429.115 5.394 30 10 IKEE CCC[C@H]1S/C(=N/N=C/c2ccccc2OC)N(Cc2cccc3ccccc23)C1=O 34378250 CELIVHCDEHZDQM-JGTLJEJISA-N 431.561 5.483 30 10 IKEE O=C1N/C(=N\N=C\c2cccc3ccccc23)S[C@@H]1Cc1ccc(Cl)cc1Cl 39888236 KQDUPOCLJZSIMF-QVHMZZSFSA-N 428.344 5.311 30 10 IKEE C=CCc1ccccc1OCCCCn1c([C@@H](C)NC(=O)C(CC)CC)nc2ccccc21 40189518 HLLFGHSSWXFMEF-OAQYLSRUSA-N 447.623 6.237 30 10 IKEE COC(=O)c1ccc(/C=C2\Oc3c(ccc(OCc4cc(C)ccc4C)c3C)C2=O)cc1 41433501 VUCPGIYFZBRIDY-OYKKKHCWSA-N 428.484 5.594 30 10 IKEE Cc1cccc(CSc2nnc(N/N=C/c3ccccc3OCc3ccccc3)[nH]2)c1 59019184 WOJXKCLIKYVFMV-MFKUBSTISA-N 429.549 5.430 30 10 IKEE CC(/C=C/c1ccccc1)=N\Nc1nc(SCC(=O)C2C3CC4CC(C3)CC2C4)n[nH]1 59023011 MVEUJKLXLMNUSZ-YVZHSPNESA-N 435.597 5.039 30 10 IKEE CCCCCCCCCCCCCCCCCCOC(=O)N[C@@H]1CCS(=O)(=O)C1 59568224 YXMVGMVHDONRFO-JOCHJYFZSA-N 431.683 6.161 30 10 IKEE C=C(C)COc1cccc(NC(=O)CNc2cccc(OCCOc3ccccc3)c2)c1 66063275 WCSQXAAEQIQFKO-UHFFFAOYSA-N 432.520 5.150 30 10 IKEE CCCCCCCCCCOc1c(OC)cc(CN2CCN(CCC#N)CC2)cc1OC 100156361 LQGSSPZJXSMJAS-UHFFFAOYSA-N 445.648 5.255 30 10 IKEE C=CCN1C(=O)/C(=C/c2cccc(Br)c2)S/C1=N/c1ccncc1Cl 101127536 DQPZDDKIHHDHLM-AXLPVRDRSA-N 434.746 5.288 30 10 IKEE CC(C)(C)/N=C1\[C@H](N2CCCCC2)C(C)(C)C(=S)N1c1cccc(C(F)(F)F)c1 102221885 XQBATRZSDFTKDC-DXMZOVICSA-N 425.564 5.931 30 10 IKEE O=C1/C(=C\c2cccc(Br)c2)Oc2cc(OC/C=C/c3ccccc3)ccc21 102729751 ZAALHXJBDMNOMY-KMYVYXBMSA-N 433.301 6.158 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cc(C)cc(C)c2)c1 169930074 NDWTZGGMOWKYHG-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE CCCCCOc1ccc(/C=N\Nc2nc(-c3ccc(OC)cc3)cs2)cc1OC 169943422 ICFRJGIFKZQDIY-IWIPYMOSSA-N 425.554 5.842 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccc(O)cc2)c1 169958077 FWFKFWWUZKTBJJ-VWLOTQADSA-N 441.527 5.915 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2cccc(C)c2)cc1 169971722 CGXOWXZMKYUBNP-QHCPKHFHSA-N 449.453 5.455 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc(OC(C)C)c1 169981127 SWFPMDHBRFBPFI-QHCPKHFHSA-N 437.536 5.251 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1cccs1)c1ccc([N+](=O)[O-])cc1 169985402 STYLDCSNVXOIDD-SFHVURJKSA-N 440.864 5.093 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(Cl)cc2)s1 170059952 XUQUAVCLGSTAQJ-GOSISDBHSA-N 430.957 5.324 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@H]2c2ccco2)s1 170091055 CZOCEDOZMYSPOH-IBGZPJMESA-N 436.533 5.433 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccco1)c1cccc(Cl)c1 170093898 BFFFHDGXQHSDHN-GOSISDBHSA-N 447.796 5.735 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2sccc2C)s1 170107172 VOWOZJLMKDRZJC-MRXNPFEDSA-N 444.965 5.566 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1ccc(O)cc1 170133286 WKWDLDNOOJROEW-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2cccc(C)c2)c1 170140065 VJUUYDOZGVWVBN-HSZRJFAPSA-N 431.463 5.316 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccs2)cc1 170157677 UXRRNRTYEGNYHZ-OAQYLSRUSA-N 431.469 5.286 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2cccs2)cc1 170157749 ZBDBXUHHHFQPCN-QFIPXVFZSA-N 449.528 5.327 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccccn2)cc1 170173584 DMAKOEKKOSVSFE-JOCHJYFZSA-N 448.906 5.307 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2cccnc2)c(C)c1 170190479 NPFFAIIZFXUPLO-RUZDIDTESA-N 434.495 5.635 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccccc2)cc1C 170225278 CSTRZIFNUYJEJS-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccccc2)cc1C 170225663 KLRPQRDWDUULDI-RUZDIDTESA-N 441.527 5.712 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@H]1c1ccc(Cl)cc1 170236395 SCCVEJZWRYXHJZ-OAQYLSRUSA-N 427.928 5.460 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1ccc(Cl)cc1 170236743 FXIWBEUEFMSHNC-QFIPXVFZSA-N 441.955 5.897 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(F)cc2)cc1 170239839 GSGPJXBZUNTKEU-HSZRJFAPSA-N 427.431 5.663 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(F)cc1)c1ccc2c(c1)CCCO2 170242416 BHEHRBYFPOTKEV-QHCPKHFHSA-N 435.495 5.062 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccccc1F 170249561 VXFXZWCHVDPKON-HSZRJFAPSA-N 426.447 5.398 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1c1ccc(F)cc1 170271125 KSQXQNKBJZKCBE-RUZDIDTESA-N 441.502 5.796 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC(C)C)c3)[C@@H]2c2ccco2)cc1C 170284880 ACYUKAIQFPJFJF-DEOSSOPVSA-N 445.515 5.714 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccco1 170288691 SJOKAOCKSRWWKP-LJQANCHMSA-N 428.271 5.678 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)[C@H]2c2ccc(C)o2)c1 170300514 FJECSCKAGXXVBL-JOCHJYFZSA-N 447.874 6.079 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(OC(F)(F)F)cc2)o1 170401356 MTCPOXRUVBEAHA-KRWDZBQOSA-N 449.406 5.331 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(Br)cc2)o1 170402574 XYQFBRZYKXEEJQ-KRWDZBQOSA-N 444.306 5.195 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)cc1 170421845 JYZQLKJENPOKNL-QHCPKHFHSA-N 449.909 5.609 30 10 IKEE CCCCCCCC[C@H](NN)c1cc(I)ccc1Br 232965044 RXICGKVYAXGMJP-HNNXBMFYSA-N 439.179 5.309 30 10 IKEE COc1cc(Br)cc(C=Nc2ccc3oc(-c4cccc(C)c4)nc3c2)c1O 252628985 TWHKLDDIONUDGJ-UHFFFAOYSA-N 437.293 6.031 30 10 IKEE CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C(=N[N+](=O)[O-])CCC[C@]4(C)[C@@H]3CC[C@@]12C 254555260 ZJFYDPFCQFKJHC-VGIXARETSA-N 430.677 7.740 30 10 IKEE COc1ccc(CON=C(C)c2cc(-c3ccc(F)cc3)n(-c3cccc(C)c3)c2C)cc1 254705796 CJWXJTVYSXUJMS-UHFFFAOYSA-N 442.534 6.850 30 10 IKEE Cc1ccsc1C=Nc1sc2c(c1C(=O)Nc1ccccc1)CC[C@@H](C(C)(C)C)C2 254751965 RPSZMEKANDWJCC-QGZVFWFLSA-N 436.646 7.272 30 10 IKEE Oc1ccccc1C=Nc1ccccc1OCOc1ccccc1N=Cc1ccccc1O 254873826 RMQMPNIWQXZDMF-UHFFFAOYSA-N 438.483 6.014 30 10 IKEE C[C@H](Nc1ccc(Br)c(I)c1)c1cccc(C#N)c1 311963623 PLZOMAQHMGCYTF-JTQLQIEISA-N 427.083 5.098 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@H]2c2ccc(O)c(Cl)c2)c1 526517230 SSDAKFKZSXKCDX-OAQYLSRUSA-N 437.282 5.628 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 526606741 ODNHOIUUHFVGQN-RUZDIDTESA-N 438.527 5.922 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2c(C)[nH]c3ccccc23)c1 526607594 YWKKBAZLOXZUHS-SANMLTNESA-N 449.510 5.804 30 10 IKEE CCCCOc1cccc(/C=N\n2c(C)nnc2SCc2c(F)cccc2Cl)c1 526817093 HASJTJGJVBTNRA-CFRMEGHHSA-N 432.952 5.732 30 10 IKEE CC(C)(C)OC(=O)NC1CCC(C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)CC1 724082948 XLBGDXNPKZFXGZ-UHFFFAOYSA-N 449.979 5.811 30 10 IKEE COc1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2cccc(C)c2)cc1Cl 917612502 UYPFVKGGGJFZLO-UHFFFAOYSA-O 436.944 5.140 30 10 IKEE CC(/C=C\c1ccccc1)=NNc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N 1084448615 VDGHTICUOOILET-RNXLBAKPSA-N 433.368 5.092 30 10 IKEE O=C1N=C(NN=Cc2ccccc2)S/C1=C\c1ccc(-c2c(Cl)cccc2Cl)o1 1772724259 QDGWGRLMLCFNSK-RGNPBBJXSA-N 442.327 5.847 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=Nc1ccccn1 1772731187 JPSAYLVLSYVKNM-KDFQCDEHSA-N 432.461 5.040 30 10 IKEE C/C(=C1\SC(=Nc2nc(C)cs2)N(c2ccccc2)C1=O)c1ccc(Cl)cc1 1772740574 ZIWLBCIFFNNSCT-UQIYEGRLSA-N 425.966 6.304 30 10 IKEE Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N\NC(=S)Nc2ccc(F)cc2)cc1 1857810660 AYDWLYJGXVXWGX-YSMPRRRNSA-N 429.524 5.307 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)c1cccc([N+](=O)[O-])c1C 1861008128 NMEBKFVUQZHDPU-NRFANRHFSA-N 433.593 5.449 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)Cc1ccccc1 1861137219 YKPTYWWXBARMKI-RUZDIDTESA-N 440.603 5.353 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1c(F)cccc1Cl 1862384098 UYCAOOHCNIEZAX-MRXNPFEDSA-N 428.674 5.384 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CCCCCC2)cc1 1862413315 ZWJHLWAUYPAFEZ-QFIPXVFZSA-N 425.475 5.574 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1Cl 1862431673 MBEZOYHSJQMGDJ-HXUWFJFHSA-N 439.298 5.167 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccco2)cc1 1862434955 KVLOARDFFRNOPO-QFIPXVFZSA-N 449.934 6.009 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccc2Cl)cc1 1862476814 OXBRKXSQIPNAJP-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccccc2C(=O)O)c1 1862493047 GZYGQMUCTPMNNI-QHCPKHFHSA-N 447.531 5.303 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc2cc[nH]c2c1 1862546313 VKPNXSVVIUNOKU-VWLOTQADSA-N 442.559 5.815 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1cccc(Cl)c1 1862616360 BLIAYTIRRDXJMR-NRFANRHFSA-N 425.956 5.872 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(Cl)cc2)cc1F 1862640378 HOUJGCHRCAHRJY-FQEVSTJZSA-N 429.875 5.009 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2c(F)cccc2Cl)cc1F 1862645081 ZXNHSWIOFQJFOX-HXUWFJFHSA-N 447.865 5.148 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1cccc(O)c1)c1cccc2ccccc12 1862650356 UBSWYCMYVMWJEW-RUZDIDTESA-N 441.527 5.847 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(F)cc1F 1862660636 LLDBWNKDTSIOMB-HSZRJFAPSA-N 441.518 6.247 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CC2)cc1 1862668337 WMTCDXCXZTUTFY-XMMPIXPASA-N 432.564 5.397 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1 1862675311 HIRBFSRETUFNGU-QFIPXVFZSA-N 441.499 5.176 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC(C)C)cc1 1862682435 OWBMESUUWQPKNV-JOCHJYFZSA-N 425.500 5.239 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cc(Cl)cc(Cl)c1 1862721615 QSFGONCLNASMMN-OAQYLSRUSA-N 438.310 5.911 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)c1 1862736020 FJFPJIBYKFBDCN-UZUQRXQVSA-N 442.471 5.243 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)cc2Cl)=C(c2ccc(F)cc2)C1=O 1863150553 UCGBFAHLGFEUCI-UHFFFAOYSA-N 446.925 6.171 30 10 IKEE C[C@H]1CCCC[C@H]1N1C(=O)C(Nc2ccccc2C#N)=C(c2cccc3ccccc23)C1=O 1863230480 GLQZZKZORSXRML-MHECFPHRSA-N 435.527 5.482 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(OC(C)C)cc2)C(=O)N(CCC)C1=O 1863694240 GYAOBINNOSOYIK-UHFFFAOYSA-N 428.617 5.694 30 10 IKEE Cc1ccc([C@@H](CC(=O)N[C@H](C(=O)Nc2cccc(C#N)c2)c2ccccc2)C(C)C)cc1 1866735410 HLVQUPRSMACIMF-BDYUSTAISA-N 439.559 5.493 30 10 IKEE CC[C@](C)(NC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866994025 FXAYMMWTGSQDPT-OFNKIYASSA-N 446.378 5.528 30 10 IKEE Cc1ccccc1-c1nc(Nc2ccccc2C#N)cc(N2CCO[C@@H](c3ccncc3)C2)n1 1868307162 NAMDFRIECZDAMW-XMMPIXPASA-N 448.530 5.040 30 10 IKEE CC(C)(C)c1nc(Nc2cccc(C#N)c2)cc(N2CCO[C@@H](c3cccc(Cl)c3)C2)n1 1868333360 HOSNTWRHCMHKCM-OAQYLSRUSA-N 447.970 5.621 30 10 IKEE CN1CCN(c2cc(Nc3ccccc3C#N)nc(-c3ccccc3)n2)C[C@H]1c1ccccc1 1868373332 SZFSFROLHBQVMM-VWLOTQADSA-N 446.558 5.252 30 10 IKEE CCCCCCCCn1cc(OCC(=O)NCc2ccco2)c(=O)cc1CSC(C)C 1870292843 UVEXNUBDNPYXEW-UHFFFAOYSA-N 448.629 5.139 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2)c(CNc2ccc(F)c(F)c2)cc1=O 1870833548 NHRYFNJUNUVTHU-UHFFFAOYSA-N 440.534 6.136 30 10 IKEE C#CCOc1cn(CCCCCCCCCC)c(CNc2ccccc2C(C)C)cc1=O 1871006151 RKYLQBIOZFMVDW-UHFFFAOYSA-N 436.640 6.737 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)cc2Cl)c(=O)cc1CNc1ccc(F)cc1 1871249560 XYPSBGIVHCUYPB-UHFFFAOYSA-N 433.310 5.671 30 10 IKEE CCCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(C)cc1C 1871254976 OAZLNTCPXXRDEE-UHFFFAOYSA-N 443.591 6.108 30 10 IKEE CCCCCCCCN=c1nc2c(cnn2C)c(Nc2ccc(Nc3ccccc3)cc2)[nH]1 1871295545 RHYPSHISRVVFAW-UHFFFAOYSA-N 443.599 6.045 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(Cl)c(Cl)c2)C3=O)cc1C 1871372787 KPYLZLKBBLQNLU-JJFYIABZSA-N 439.294 6.446 30 10 IKEE CCCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccco2)C3=O)cc1 1871378282 DNKDRJALXNBBHH-YSWSIGQQSA-N 430.456 5.612 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2OC)C3=O)CC1 1871383609 VLMDBOCXTDVBCT-UQQQWYQISA-N 448.559 6.522 30 10 IKEE Cc1cc(OC(=O)/C=C/c2ccccc2)cc2c1C(=O)/C(=C/c1c(F)cccc1Cl)O2 1871385209 HBKNSWDEVNJNGT-LAUHTZEZSA-N 434.850 6.023 30 10 IKEE CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2cccc(C)c2)C3=O)c1 1871425401 DHFZLNKLUFQLQA-GQMTYKABSA-N 441.483 5.220 30 10 IKEE CCCCCCCCCOc1cc(C)c2c(c1)O/C(=C\c1ccc(N(CC)CC)cc1)C2=O 1871429449 HTZWOBYUHQGIOM-OOAXWGSJSA-N 449.635 7.587 30 10 IKEE CCCOC(=O)[C@H](CC)Oc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O 1871434147 ROZKYMFUIOJFGZ-HRVJUDJTSA-N 445.309 5.176 30 10 IKEE Cc1cc(OCc2ccccc2C#N)cc2c1C(=O)/C(=C/c1ccc(Br)cc1)O2 1871437220 MTDYMHYBKVOATE-JJFYIABZSA-N 446.300 5.824 30 10 IKEE CCCCCCCCN=c1nc(N(CC)CCCC)[nH]c(=Nc2ccc3cc[nH]c3c2)[nH]1 1871588198 VCFOCOAYCQETJE-UHFFFAOYSA-N 437.636 5.339 30 10 IKEE CCCCCCCCN=c1nc(N2C[C@H](C)C[C@@H](C)C2)[nH]c(=Nc2cc(C)ccc2C)[nH]1 1871671950 MXWLSBFDCFBBDC-NHCUHLMSSA-N 438.664 5.331 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)cc1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1871775956 JLYOGWXGBHEWKL-CYFREDJKSA-N 442.625 5.232 30 10 IKEE C=CCN([C@@H](CCC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1871992147 VXDNUYQBVDXXFI-QHCPKHFHSA-N 442.625 5.213 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cccc(C)c1)[C@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872267361 GHKXILQYZVOVBI-HYBUGGRVSA-N 442.625 5.232 30 10 IKEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1872450705 JEUQZVKZKYNLPV-QFIPXVFZSA-N 449.016 5.448 30 10 IKEE Cc1cccc(C)c1OCCCC(=O)[C@@H](C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1872760748 XEFPTXNMSOBECI-LJQANCHMSA-N 435.505 5.371 30 10 IKEE N#C[C@H](C(=O)/C=C\c1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872762556 QBNCUBFIBYVXQZ-HQOGMNCSSA-N 433.747 6.660 30 10 IKEE CC(C)c1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1 1872776024 GVHXTFXORFATPO-YADHBBJMSA-N 443.572 5.158 30 10 IKEE CCCCCCCCCCNC(=O)c1cccc(COc2ccc(Br)cc2)c1 1872838213 KMMLGOCXUUSMBK-UHFFFAOYSA-N 446.429 6.899 30 10 IKEE CCCCCCCCNC1=C(c2c(Cl)cccc2Cl)C(=O)N(CCCOC)C1=O 1873095818 MNHWXNRJVBJZSD-UHFFFAOYSA-N 441.399 5.060 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2C)C(=O)N(Cc2ccccc2)C1=O 1873102113 DLWNGUXFAFZEGO-UHFFFAOYSA-N 432.608 6.005 30 10 IKEE C=CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N([C@H](CC)CCCCC)C1=O 1873170350 WJDSBUGEHBXCCU-JOCHJYFZSA-N 433.596 5.309 30 10 IKEE CCCCCCN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(-n3cccc3)cc2)C1=O 1873204701 PPCOMNJVCMSNGR-UHFFFAOYSA-N 438.531 5.121 30 10 IKEE COc1ccc(/C=N/Nc2ccc(Br)cc2)cc1OCc1ccccc1Cl 1873498783 IYFNQQBTVXUXSB-ZMOGYAJESA-N 445.744 6.136 30 10 IKEE C=CCOc1ccccc1OCc1nc2ccccc2n1CC(=O)Nc1c(C)cccc1C 1873515544 WFDURXSGDATEID-UHFFFAOYSA-N 441.531 5.436 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)cc2c(NCCCCCCCC)ncnc21 1873621621 ZSESWJQMWYTCGZ-UHFFFAOYSA-N 433.600 6.259 30 10 IKEE CCCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1cccc(F)c1 1874217535 DHZUBSRUGQXBCK-WYMPLXKRSA-N 432.952 5.651 30 10 IKEE CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccc(F)cc1F 1874217697 SSUVPVHFLRJDEK-YSURURNPSA-N 436.915 5.400 30 10 IKEE Cc1cc(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccco2)ccc1Cl 1874230748 ZVLIFYQGSPDFIO-ZMOGYAJESA-N 438.940 5.586 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCCc2ccccc2)n1/N=C/c1ccccc1 1874300154 AXLWJUDBEARXQI-OVVQPSECSA-N 442.588 5.691 30 10 IKEE COc1cccc(CCc2nnc(SCc3ccc(C)cc3)n2/N=C/c2cccs2)c1 1874308127 HUFJEQFIPZVOJV-PCLIKHOPSA-N 448.617 5.616 30 10 IKEE C=C(C)CSc1nnc(COCc2ccccc2)n1/N=C/c1cn(C)c2ccccc12 1874355754 ZTWANAKFDHGLAI-DHRITJCHSA-N 431.565 5.037 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccco1 1874378623 MPOQGFUWHWKJTM-ZMOGYAJESA-N 426.904 5.429 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2cccc(C)c2)nnc1[C@@H]1CCCO1 1874446499 CXSQHAMVQZEMOF-LWROZRRASA-N 436.581 5.401 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2-c2ccco2)cc1OC 1874463889 HEKBGVMCZQBMEM-MFKUBSTISA-N 448.548 5.428 30 10 IKEE CC(C)(C)c1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C(C)(C)C)cc1 1874484196 KEOCLFRFDZVFLD-CVKSISIWSA-N 441.044 6.701 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C(C)C)cc1 1874515220 SKYZKDAHDRTQQT-JVWAILMASA-N 428.605 6.853 30 10 IKEE CCCOC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1cc(Cl)ccc1Cl 1874591585 SANIOTACLVYJFF-PKNBQFBNSA-N 443.326 6.375 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3cccc(C)c3)c2)cc1 1874593443 KEXWXTQFOONQIV-SAPNQHFASA-N 427.544 6.251 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OCc1ccc(Cl)cc1Cl 1874594781 CFPFKVTUCJFPEO-UXBLZVDNSA-N 447.745 7.131 30 10 IKEE CCCN(CCC)C(=O)COc1cccc(/C=C/C(=O)c2cccc(Br)c2)c1 1874594883 IINSXNJAFBSQFV-VAWYXSNFSA-N 444.369 5.373 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2cccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)c2)c1 1874599345 INDAXZDHTIVDFI-OUKQBFOZSA-N 441.571 6.451 30 10 IKEE Cc1ccc(NC(=O)COc2cccc(/C=C/C(=O)c3cc(C(C)(C)C)ccc3C)c2)cc1 1874600154 WSVHEALRROBDIJ-FOWTUZBSSA-N 441.571 6.515 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1cc(Cl)ccc1Cl 1874601142 WINCMPBURHCTOM-IZZDOVSWSA-N 428.271 6.377 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OCc1c(Cl)cccc1Cl 1874614492 JOGPBASPDQJBET-VAWYXSNFSA-N 443.326 6.486 30 10 IKEE CCc1ccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3ccc4ccccc4c3)c2)cc1 1874693496 IDOJXNZATLYPPV-NBVRZTHBSA-N 434.535 6.837 30 10 IKEE CCCC(=O)Oc1cc(/C=C/C(=O)c2ccc(Cl)cc2)c(Br)cc1OC 1874701014 XJSZIOKWKNCKOV-JXMROGBWSA-N 437.717 5.713 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OC(=O)c1ccc(C)c([N+](=O)[O-])c1 1874703476 ROFHHVWIIVOQOV-DHZHZOJOSA-N 445.471 5.644 30 10 IKEE Cc1cc(C(=O)/C=C/c2cccc(OC(=O)c3ccc4cc(Cl)ccc4n3)c2)ccc1F 1874703940 OPLCAKQVSPUNCS-LFYBBSHMSA-N 445.877 6.451 30 10 IKEE COc1cccc(C(=O)Oc2cc(/C=C/C(=O)c3cccc4ccccc34)ccc2OC)c1 1874706906 GDEXWAJATRISSN-FYWRMAATSA-N 438.479 5.972 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OC(=O)C(C)C 1874713518 APWMUANHJSDOEG-CMDGGOBGSA-N 431.326 5.532 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)cc(Br)c1O 1874719554 OTIUQVGKOALALD-ONEGZZNKSA-N 432.097 5.375 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(C(C)C)cc2)CSc2nnc(C(C)C)n21 1874855755 HBKLZCNZEGDYIG-JOCHJYFZSA-N 442.673 6.587 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccc2ccccc2c1 1875096485 PYFVCWZLIPMNCJ-KPKJPENVSA-N 436.551 6.858 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(Br)c1OC(=O)C1CC1 1875101315 SNJSRXZVKKHSSW-JXMROGBWSA-N 445.309 5.068 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC3CCCCC3)c(OC)c2)cc1OC 1875103933 XQXOROADUJVGFL-FMIVXFBMSA-N 438.520 5.484 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Cl)c(OC(=O)c2sccc2C)c(OC)c1 1875117953 KQIVDDSGHMRCFN-CMDGGOBGSA-N 442.920 5.842 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)C(C)(C)C)c(Br)c2)c1 1875144706 LHEPGBPJJFCTBB-RMKNXTFCSA-N 447.325 5.314 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)c1ccc(C)cc1 1875171566 CPFWWLGTUFJVIM-XYOKQWHBSA-N 430.500 5.744 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)ccc1OC(=O)C1CCCC1 1875181606 OGILOFBQCZYQEK-PKNBQFBNSA-N 442.939 6.047 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 1875184407 BPGYWVDAGNXOMK-LZYBPNLTSA-N 432.947 7.061 30 10 IKEE N#CC1(c2ccccc2)CCN(C(=O)c2ccc(C(F)(F)F)cc2Br)CC1 1890893985 WTCGDGFJSDPNGV-UHFFFAOYSA-N 437.259 5.165 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NC)c1csc(Br)c1Br 1922107466 MCUPBOLXZPELQR-OAHLLOKOSA-N 431.193 5.307 30 10 IKEE C=CCC1(NCc2ccc(F)c(Br)c2)CCN(C(=O)OC(C)(C)C)CC1 1924543589 XAEAVRHJZDNHOQ-UHFFFAOYSA-N 427.358 5.024 30 10 IKEE CC1(C)CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)[C@@H](CN)C1 1927159117 HQLVEWNXBHHLPY-VFNWGFHPSA-N 436.394 5.238 30 10 IKEE CCC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1931133249 YUHAPJYRGWQJRV-WOJBJXKFSA-N 431.577 5.257 30 10 IKEE CCCCCCCCCC[C@H](NC)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1946540022 KYXWOUALXOSZGS-ZEQRLZLVSA-N 434.665 6.215 30 10 IKEE CC(C)(C(=O)O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C#N)cc1 1951792802 DICAUANNDBXPOE-XMMPIXPASA-N 440.499 5.249 30 10 IKEE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(C#N)cc1 1984694484 KLKDKGSVDOLHDQ-RUZDIDTESA-N 439.515 5.060 30 10 IKEE CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 2014634774 GKCWYJPGPOCDTE-FDDCHVKYSA-N 449.617 5.413 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)C2(CCCC2)C1 2018646300 UWIKOBZVGMYNMD-XMMPIXPASA-N 435.609 5.486 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)CC12CCC2 2038100796 JPQYWMUPZXLDCC-RUZDIDTESA-N 447.620 5.772 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)cc1 2041702106 MNQBUCHOTHXSAQ-FZWXVRBQSA-N 441.572 5.561 30 10 IKEE CC1(c2nn(Cc3cccc(C(F)(F)F)c3F)c(Br)c2C(F)(F)F)CC1 2079827721 VJDXMKNXMXZENH-UHFFFAOYSA-N 445.176 5.922 30 10 IKEE CC[C@@H](c1ccc(C(F)(F)F)cc1)n1nc(C2CC2)c(C#N)c1I 2079856247 QQQWLLKDCAZLOI-AWEZNQCLSA-N 445.226 5.255 30 10 IKEE CC(C)c1cc(C(F)(F)F)ccc1-n1nc([C@@H]2CCOC2)c(C#N)c1Br 2080341302 BGOILLQKEMIPIH-LLVKDONJSA-N 428.252 5.153 30 10 IKEE Fc1cc(-c2c(C(F)(F)F)nn([C@@H]3CCOC3)c2Br)cc(C(F)(F)F)c1 2080852789 ZCEHYMAATHETEH-SNVBAGLBSA-N 447.148 5.451 30 10 IKEE CCCCCCCCN(C(=O)OCc1ccccc1)[C@@H](C)c1ccc(Br)cc1 2081067030 UATUPXBWFUYEPI-FQEVSTJZSA-N 446.429 7.509 30 10 IKEE N#Cc1cc(Br)ccc1NCc1c(Br)cccc1Br 2094102011 KCHDKPLXTFUTKD-UHFFFAOYSA-N 444.952 5.458 30 10 IKEE CN(CCN(Cc1ccccc1)[C@@H]1CCC(C)(C)[C@](C#N)(NC2CC2)C1)Cc1ccccc1 2099187745 FTUXWCBPIYKTGM-PXJZQJOASA-N 444.667 5.214 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@H]1Nc1ccc(C#N)c(Br)c1F 2106036739 BIHGPRZRECSQRC-ZIAGYGMSSA-N 426.330 5.098 30 10 IKEE CN(c1cc(Br)c(C#N)cc1F)[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2151258199 RIAPYMCDLLRTJL-REPLKXPHSA-N 428.349 5.092 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CCC[C@@H](Nc3ccc(C#N)c(Br)c3F)[C@H]1CC2 2162321944 BKVFYNBQNQVFAL-SQWLQELKSA-N 438.341 5.192 30 10 IKEE CC(C)(C)OC(=O)N(CCNc1ccc(C#N)cc1Br)C1CCCCCC1 2162419567 ISIZDLCKMINNHH-UHFFFAOYSA-N 436.394 5.693 30 10 IKEE CCC[C@@]1(CNc2cc(Br)cc(F)c2C#N)CCCN1C(=O)OC(C)(C)C 2163709711 XMTUKUCSAURHPA-FQEVSTJZSA-N 440.357 5.442 30 10 IKEE CC(C)(C)OC(=O)N1CCN(c2ccc(Br)cc2C#N)C2(CCCCC2)C1 2174809212 XLOMMAPITBHHSI-UHFFFAOYSA-N 434.378 5.081 30 10 IKEE CCN(C(=O)OC(C)(C)C)c1ccc(CNc2ccc(C#N)cc2Br)cc1 2176855540 IDAIWWRPLPGHRE-UHFFFAOYSA-N 430.346 5.694 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCC)c2sc(C)c(Br)c2C)C1 2226139196 PJQMEMJJNJDSFX-QGZVFWFLSA-N 443.451 5.639 30 10 IKEE CC[C@H](C)NCc1ccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)c(C#N)c1 2231451868 SOVIWLPCJDHIIQ-DEOSSOPVSA-N 440.635 5.585 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)[C@@](C)(CCC)NC(=O)OC(C)(C)C 2235732474 SEJSZAUQAAMSLL-DENIHFKCSA-N 437.422 5.252 30 10 IKEE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)C(=O)C1=CCCCCCC1 2237425990 ZTPPXILWFRNHRT-LJQANCHMSA-N 436.390 5.735 30 10 IKEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CSc1ccc(C#N)c(Br)c1F 2260367575 JHMJRXLJFAXTQE-WCQYABFASA-N 429.355 5.197 30 10 IKEE C=CCCC1(C(=O)Cc2cccc(Cl)c2Br)CN(C(=O)OC(C)(C)C)C1 2266237438 AUCBRLZGFXRIGQ-UHFFFAOYSA-N 442.781 5.417 30 10 IKEE C=CCCC1([C@@H](NC)c2sc(Br)c(C)c2C)CN(C(=O)OC(C)(C)C)C1 2266306394 XEGZXDIZQLZDHT-INIZCTEOSA-N 443.451 5.591 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(F)c([C@H](O)C#Cc2ccccc2Br)cc1F 2283417763 UAAUYEAGJSSXGS-GOSISDBHSA-N 438.268 5.159 30 10 IKEE CC(C)(C)OC(=O)N1CCc2sccc2[C@@H]1CNc1c(Br)cccc1C#N 2285185934 JHTOELPWWSEFQZ-INIZCTEOSA-N 448.386 5.329 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@H](CCC)CNC(=O)OC(C)(C)C 2296310649 MCVBECRLTYQTNE-UYAOXDASSA-N 437.422 5.110 30 10 IKEE CCCCCCCCC=CCCCCCCCC(=O)Nc1c(C(C)C)cccc1C(C)C 2296559868 KIULGBCXKSTGQP-UHFFFAOYSA-N 441.744 9.909 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(O)c3CN(CC(C)C)CC(C)C)C2=O)c1OC 2296606579 UQNYGRMLIMRYTC-UHFFFAOYSA-N 439.552 5.140 30 10 IKEE Cc1ccccc1N=C1SC(=Cc2c(F)cccc2Cl)C(=O)N1c1ccccc1C 2296826680 BKUSRCLCTMTBJE-UHFFFAOYSA-N 436.939 6.905 30 10 IKEE CCCc1ccc(C(=O)C=Cc2ccc(OC)c(COc3cccc4cccnc34)c2)s1 2297114011 ZIOAYFAMYBHUHZ-UHFFFAOYSA-N 443.568 6.733 30 10 IKEE CCCCN(C)C[C@@H](O)Cn1cc(C=CC(=O)c2ccc(OCC)cc2)c2ccccc21 2297359228 CIDKBTYELUXBPC-HSZRJFAPSA-N 434.580 5.029 30 10 IKEE CCN[C@H](C#CC1(OC)CCCC1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2300733187 LZKYATZVPJWZLD-QHCPKHFHSA-N 428.617 5.145 30 10 IKEE CC(=C1SC(=Nc2cccnc2Cl)N(c2ccccc2)C1=O)c1ccc(C)c(C)c1 2314540736 XCDPASYMIMHMHO-UHFFFAOYSA-N 433.964 6.551 30 10 IKEE CC(C)(C)OC(=O)NC1([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)CCCCC1 2318704534 JTMXEQMTJRQNGJ-IBGZPJMESA-N 447.551 5.687 30 10 IKEE COc1ccc(OC)c(C=C2Oc3c(ccc(OCc4cc(C)ccc4C)c3C)C2=O)c1 2321757947 GMKURPXVRJGKCK-UHFFFAOYSA-N 430.500 5.824 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(OCc3ccc(Cl)c(Cl)c3)c2C)C1=O 2321790322 ZJPGOLIQASMVPJ-UHFFFAOYSA-N 431.340 6.867 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccccc1Cl)O3)CN(CCc1ccccc1)CO2 2321937237 DYSKAPYBOHTDCO-UHFFFAOYSA-N 431.919 5.659 30 10 IKEE Cc1ccc(Cc2nnc(S)n2N=Cc2cccc(OCc3ccc(Cl)cc3)c2)cc1 2321968462 NAAVALOJMVMTRC-UHFFFAOYSA-N 448.979 5.581 30 10 IKEE COc1ccc(C=C2Oc3c(ccc4c3CN([C@@H]3CCCC[C@@H]3C)CO4)C2=O)cc1OC 2322146070 WSRZWJAWDVQEQN-OXJNMPFZSA-N 435.520 5.051 30 10 IKEE C=C(C)COc1c(C=CC(=O)c2ccc3c(c2)CCCC3)cc(Br)cc1OC 2322339293 CTEFVMWNBPVAFI-UHFFFAOYSA-N 441.365 6.188 30 10 IKEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C)cc2)C3=O)cc1OC 2322748272 JYZRPJSUYQXEJV-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE C=CCOc1ccc(Br)cc1C=CC(=O)c1cc(C(C)C)c(OC)cc1C 2322792077 PITQJHZVXDHYRD-UHFFFAOYSA-N 429.354 6.350 30 10 IKEE CCN(CC)C(=O)COc1c(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cccc1OC 2322969251 FGZCLDAOWZCKLI-UHFFFAOYSA-N 437.580 5.444 30 10 IKEE Cc1ccc(NC(=O)COc2cccc(C=CC(=O)c3ccc(-c4ccccc4)cc3)c2)cc1 2323044325 KOOOHORHKTYBCF-UHFFFAOYSA-N 447.534 6.576 30 10 IKEE CC(C)COc1c(Cl)cc(C=NNc2nc(O)cc(-c3ccccc3)n2)cc1Cl 2323259652 MNXSFLDXRMPVBF-UHFFFAOYSA-N 431.323 5.637 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1OC 2323437616 CHCQXHQVHNWKAB-UHFFFAOYSA-N 449.591 5.498 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCC(=O)NC3CCCCC3)c(Cl)c2)cc1 2323464778 HAYIOOMWCXCOMW-UHFFFAOYSA-N 425.956 5.626 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccccc1 2323840539 OSOSSIVCIDUUGD-UHFFFAOYSA-N 428.528 6.298 30 10 IKEE CCOc1c(Br)cc(C=CC(=O)c2ccc(C)cc2C)cc1Br 2323854468 FZCZBZASQXLXQE-UHFFFAOYSA-N 438.159 6.123 30 10 IKEE Cc1sc(NN=Cc2ccc(OCCCc3ccccc3)cc2)nc1-c1cccs1 2323858509 FWQZPIQPWJVSBI-UHFFFAOYSA-N 433.602 6.638 30 10 IKEE C=CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1 2323865364 SFHVNNQXROUVSW-UHFFFAOYSA-N 446.886 6.049 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(F)c2)cc(OC)c1OCc1ccccc1 2324121726 XJEPPOJEPKWUTF-UHFFFAOYSA-N 432.491 6.047 30 10 IKEE Cc1cc(O[C@H](C)C(=O)OC(C)C)cc2c1C(=O)C(=Cc1ccc(-c3ccccc3)cc1)O2 2324305692 GZZAKNAYLOOLPG-LJQANCHMSA-N 442.511 5.997 30 10 IKEE Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(F)cc2)C3=O)c(C)c1 2324331595 OWXHSXAKEXZTCA-GOSISDBHSA-N 445.490 5.773 30 10 IKEE Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2sccc2C)C3=O)c(C)c1 2324331643 ACYKHXPJBLWCDJ-GOSISDBHSA-N 447.556 6.004 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2cc(OCC)c(OCC)c([N+](=O)[O-])c2)c1 2324398554 GQCTZSBSNFTPFR-UHFFFAOYSA-N 429.469 5.086 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3cccc([N+](=O)[O-])c3)n2)cc1 2324404393 SFKUUCYWMBVQNO-OAQYLSRUSA-N 431.517 5.951 30 10 IKEE CCc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccccc4C)cc(C)c3C2=O)cc1 2324412965 PNAQJYRSIYSQFM-LJQANCHMSA-N 441.527 5.888 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1 2324571069 VLQHNDZMWFCAPK-UHFFFAOYSA-N 435.608 6.216 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc(Cl)c1OCCO 2324598999 ANYLOLKVNNDZLW-UHFFFAOYSA-N 445.726 5.321 30 10 IKEE CCc1ccc(OCCCOc2ccc3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)cc1 2324658312 UJACJKQYKQTHIJ-UHFFFAOYSA-N 445.471 5.621 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3Cl)cc2)c2ccccc12 2324673097 XQDJOJABCCKIFN-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2OC)cc(Cl)c1OCCCO 2324705798 RTEHMFHKYDQMCK-UHFFFAOYSA-N 425.308 5.058 30 10 IKEE CCCCCOC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2325045060 IFLYXWJOOPAJPC-UHFFFAOYSA-N 436.548 6.021 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2)C3=O)cc1 2325619990 AHXGVFNJSRRCGM-GOSISDBHSA-N 441.527 6.142 30 10 IKEE CCCCOc1ccc(C=Nn2c(C)nnc2SCc2cccc3ccccc23)cc1 2325631653 XBUQYMTVIIMKOZ-UHFFFAOYSA-N 430.577 6.093 30 10 IKEE COc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)CCCC4)c2)cc1OC 2325701743 ZWSXCWOHZLSMFH-UHFFFAOYSA-N 442.511 5.698 30 10 IKEE COc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2)C3=O)cc1Cl 2325711392 JPXRLTMBPQWJRR-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE CCc1ccccc1OCC(=O)Oc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC 2325741391 LWCHXSUEQFAOOB-UHFFFAOYSA-N 448.490 5.586 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2ccc(C(C)C)cc2)cc1OC(=O)C(C)C 2325750526 FQDFEASRTPSVCI-UHFFFAOYSA-N 445.353 6.039 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc1OC(=O)C1CCCC1 2325763258 RTCNQSJKCWCQKY-UHFFFAOYSA-N 428.912 5.657 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(F)cc3)c2)c2ccccc12 2325776566 APOGNIRRETXLJJ-UHFFFAOYSA-N 426.443 6.103 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1cccc(OC(C)C)c1 2326477387 YHNGVDPPPISCDY-UHFFFAOYSA-N 443.016 6.236 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccccc1Cl 2326524933 OQNFYNKJGKPOTG-UHFFFAOYSA-N 447.391 6.023 30 10 IKEE COc1ccc(C=Nn2cnnc2SCc2cccc3ccccc23)cc1OC(C)C 2326632882 FOFCICUZWVEQAG-UHFFFAOYSA-N 432.549 5.402 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccccc3Cl)n2N=Cc2ccccc2O)cc1 2329523950 OUJCXYLIHXCJGP-UHFFFAOYSA-N 434.952 5.787 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)cc3)n2N=Cc2ccc(F)cc2)cc1 2329936174 INMWCTWHJSLOCW-UHFFFAOYSA-N 430.552 5.799 30 10 IKEE O=C(O)c1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2-c2ccccc2)cc1 2330692609 RRBQXAAPKALRKU-UHFFFAOYSA-N 448.935 5.471 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(OC)c(OC(=O)CC3CCCCC3)c(OC)c2)c1 2330777189 JRXVRWZRLARLNF-UHFFFAOYSA-N 438.520 5.484 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccccc1C(=O)O 2330868927 JPNYJIXTAAAEGD-UHFFFAOYSA-N 442.972 5.393 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3[N+](=O)[O-])c(OC)c2)cc1C 2330881126 YTUOKYYVOKFFOV-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3OC)c(Cl)c2)cc1 2330961116 OVBNJRVMEMANAY-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)c(F)c3F)cc2)cc1 2331189867 ONOVZHQZLHRXBI-UHFFFAOYSA-N 426.390 5.618 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3F)c(OC)c2)cc1 2331212948 SVEIOKQMFYUQOM-UHFFFAOYSA-N 438.426 5.487 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)Cc1cc(C)ccc1C 2331230140 ZWRSOKJKHVMALH-UHFFFAOYSA-N 442.555 6.363 30 10 IKEE COCCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(Cl)c(Cl)c1 2331282007 SASSWRAJXNUSSA-UHFFFAOYSA-N 439.343 5.087 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2331282084 BTAFRXJNOODEBD-UHFFFAOYSA-N 431.444 5.417 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1c(F)cccc1Cl 2331319420 RFMHIMQBNLPDHP-UHFFFAOYSA-N 445.951 5.026 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)c1c(OC)cccc1OC 2331330049 OHTYTUXEVUGFGO-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)c3ccc(-n4cccc4)cc3)cc2)ccc1F 2331332819 QGYLZFLUPQATNN-UHFFFAOYSA-N 425.459 6.040 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2cc(Cl)ccc2OC)cc1 2331352027 WSRAKTARGSEZSG-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2cc(OC)ccc2OC)cc1OCC 2331390574 OYJMYOGAZYXBFB-UHFFFAOYSA-N 446.927 5.748 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1cnc(C)cn1 2331424716 HXCLRVSSCVEPGE-UHFFFAOYSA-N 444.531 5.597 30 10 IKEE CC(C)Cc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1ccc(C(C)C)cc1 2331429518 CMIHCLALMWQKBV-UHFFFAOYSA-N 435.597 5.213 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1[N+](=O)[O-])c1cccs1 2331474238 PRWCXRKDWAASOF-UHFFFAOYSA-N 429.453 5.925 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2ccccc2C)cc1C 2331488741 VAQROPFYZCBROQ-UHFFFAOYSA-N 433.581 5.084 30 10 IKEE C=CCSc1nnc(C2CCC2)n1N=Cc1ccc(OCc2ccccc2)c(OCC)c1 2331532330 JJHMQARWXXZKJB-UHFFFAOYSA-N 448.592 5.684 30 10 IKEE C=CCc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OC(=O)C(F)(F)F 2331653993 VLQKENVQGVMKIM-UHFFFAOYSA-N 446.465 6.021 30 10 IKEE CCOc1c(C=Nn2c(SCc3ccccc3Cl)nnc2C(C)C)cccc1OC 2331701468 DCLOCONNSWWYOM-UHFFFAOYSA-N 444.988 5.637 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)c1cccc(F)c1 2331767489 GLNSGGQHNCBIQP-UHFFFAOYSA-N 448.490 5.883 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc(Cl)c1OC(C)=O 2331812617 PZNLTLAZZWEWEI-UHFFFAOYSA-N 443.710 5.876 30 10 IKEE CN(CCCCCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2339600826 UUAWLFAMVDQSRU-CCEZHUSRSA-N 446.397 5.142 30 10 IKEE CC[C@@H](CN(CC)C(=O)OC(C)(C)C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339604984 XKUZXBSJOVKVFZ-IQGVVSCOSA-N 446.397 5.141 30 10 IKEE Cc1cc(C)c(N=C(Nc2c(C)cc(C)cc2C)N2CCN(c3ccccc3)CC2)c(C)c1 3178242 NOYDAQORVUWRCV-UHFFFAOYSA-N 440.635 6.459 30 10 IKEE C=CCn1c(SCCCOc2ccc(C)cc2)nc2scc(-c3ccccc3)c2c1=O 9041673 SSYSOJWOKQWFHP-UHFFFAOYSA-N 448.613 6.181 30 10 IKEE COc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 9601019 RKVRSJGSJWAWLW-YKGWIAGDSA-N 431.535 6.916 30 10 IKEE O=C(/C=C\c1ccc(OC(=O)c2ccc3c(c2)OCO3)cc1)c1ccc(-c2ccccc2)cc1 34955585 RKFOEZQSWGLNAB-PXNMLYILSA-N 448.474 6.198 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc21 38708003 FAOVPLXCUKRKJG-UHFFFAOYSA-N 433.430 5.287 30 10 IKEE C/C(=C1/S/C(=N/c2nnc(C)s2)N(C2CCCCC2)C1=O)c1ccc([N+](=O)[O-])cc1 39866577 CGSVOWPIBSQQQF-WIQPNEMMSA-N 443.554 5.082 30 10 IKEE CC(=O)C1=NN(c2cccc(C)c2)[C@@]2(S1)SC(C(C)=O)=C(C)N2Cc1ccccc1 59121837 DOUIWVMYRWELIZ-HSZRJFAPSA-N 437.590 5.132 30 10 IKEE CCOC(=O)c1ccc(-c2ccc(/C=C3/S/C(=N/c4ccc(OC)cc4)NC3=O)o2)cc1 59433581 SGPBFXCJUNWHNM-KGENOOAVSA-N 448.500 5.024 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)/C(=C/c1ccccc1)NC(C)=O 100126597 KJRPQCIYDJHIAJ-RWEWTDSWSA-N 428.661 6.761 30 10 IKEE CC(C)(C)C1=CC(=C=C=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)C=C(C(C)(C)C)C1=O 100231593 XBVQJPOFNBYXMM-UHFFFAOYSA-N 432.648 7.649 30 10 IKEE Cc1ccc(/N=C2\S[C@H](C(=O)Nc3cc(Cl)cc(Cl)c3)CC(=O)N2C)cc1C 100262489 VJQRYOYYMQTLHU-DJUDNFEDSA-N 436.364 5.200 30 10 IKEE CCCCCCCCN1C(=O)NC2(CC(C)(C)N(Cc3ccccc3)C(C)(C)C2)C1=O 100313035 WBDYFYYVULBFHX-UHFFFAOYSA-N 427.633 5.491 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2ccc(OC)c(OC)c2)cc1 100418598 PVHOUCGSZUTUAB-UHFFFAOYSA-N 430.570 5.180 30 10 IKEE COC(=O)C1=C(Nc2cccc3ccccc23)S/C(=C/c2ccc(OC)cc2OC)C1=O 101647703 NVIOQNKVSHRVGS-FYJGNVAPSA-N 447.512 5.011 30 10 IKEE CCCCCCCCCCCn1c(CCNC(=O)c2cccc(OC)c2)nc2ccccc21 102141470 JBGCMQLNLGLVKT-UHFFFAOYSA-N 449.639 6.548 30 10 IKEE CN1/C(=C2/S/C(=N/Cc3ccccc3)N(C3CCCCC3)C2=O)Sc2ccccc21 102148092 VQFJVUYSBOEGII-DIQLGICBSA-N 435.618 5.862 30 10 IKEE O=c1c(/C=N\C2CCCCCCC2)c(-c2ccccc2)[nH]n1-c1nc2ccccc2s1 103246760 LCOQGMQPGYDEEH-ONUIUJJFSA-N 430.577 5.974 30 10 IKEE CC(C)(C)/N=C1/[C@H](N2CCCCC2)C(C)(C)C(=S)N1c1cccc(C(F)(F)F)c1 105421531 XQBATRZSDFTKDC-NGOJKJPPSA-N 425.564 5.931 30 10 IKEE C=CCn1c(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)c(C)c2cc(C(C)C)ccc21 169863485 VQVFMFKMNVVECE-UHFFFAOYSA-N 439.600 5.342 30 10 IKEE CCOc1cc(/C=N/Nc2ccc(Cl)cc2)ccc1OCc1c(Cl)cccc1Cl 169878741 WYASFAJSMKACDK-LGJNPRDNSA-N 449.765 7.071 30 10 IKEE CCOc1cc(/C=N/Nc2ccc(F)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 169878979 PCQMUWRMDIPYQT-LGJNPRDNSA-N 433.310 6.556 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\n2c(SC)nnc2C(C)C)cc1OCC 169915665 UROXYKMVYQTDQP-BWAHOGKJSA-N 446.661 6.534 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2ccccc2OC)cc1 169942145 ULVOUWSGGUAZFQ-VWLOTQADSA-N 441.527 5.657 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2cccc(C)c2)c1 169966066 IPJQNMXHSZBTNQ-XMMPIXPASA-N 427.500 5.403 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2C)[C@@H]1c1cccs1 169984100 BNWMKIQTCNCNAO-HXUWFJFHSA-N 439.920 5.501 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccs1 169984251 UTSQFAOZMGWVDP-OAQYLSRUSA-N 449.915 6.239 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2cccs2)cc1C 169987753 TZGWYTBQQBHQDW-HXUWFJFHSA-N 425.456 5.426 30 10 IKEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccccc2)cc1 170054058 GEBQTQCUKULEGT-RUZDIDTESA-N 441.527 5.133 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1cccc(OC)c1 170121182 ZYVVWAPXMCFVOF-XMMPIXPASA-N 449.591 6.070 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2Cc2ccccn2)c1 170144287 PVYUAEGYTXKYHI-RUZDIDTESA-N 434.495 5.322 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cccc(OCC)c1 170218356 YULFJUAZXLESFC-RUZDIDTESA-N 447.575 5.733 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2OC)[C@H]1c1cccc2ccccc12 170220765 LEUPJYVBAVXDDD-XMMPIXPASA-N 445.515 5.235 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2c[nH]c3ccccc23)cc1C 170256564 VUAXNPVHONHRES-XMMPIXPASA-N 444.531 5.396 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCCOC)cc1 170266981 NPEJRQLABKYPIY-DEOSSOPVSA-N 429.516 5.017 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccco2)ccc1OCC(C)C 170282429 RRVMMQDJEOIWPK-HSZRJFAPSA-N 449.478 5.545 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@@H]1c1ccc(C)o1 170301821 RUJXFVBQVSEFTE-HSZRJFAPSA-N 447.487 5.005 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(C)o2)ccc1Cl 170303681 BFXCULXKCMGOMC-NRFANRHFSA-N 437.879 5.341 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@H]1c1ccc(C)o1 170309214 BBARAGMDNYAMLY-JOCHJYFZSA-N 425.525 5.489 30 10 IKEE C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCCC)c1 170324089 YNEWISMSQWVRMG-RUZDIDTESA-N 445.559 5.509 30 10 IKEE CCN(CC)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccc(O)c2)cc1 170384958 AFBBEPFEUNSJHG-XMMPIXPASA-N 442.515 5.021 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccco2)=C(O)C(=O)N1c1cccc(C(F)(F)F)c1 170406157 BRTQCSBDXWAGHG-MRXNPFEDSA-N 433.407 5.451 30 10 IKEE CCOc1cccc(CN2C(=O)C(O)=C(C(=O)C(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 170471932 FWJLIZSJGORIHE-QHCPKHFHSA-N 435.564 5.504 30 10 IKEE COc1c2c(cc3c1[C@@H](CC(/C=C/[C@H]1C(C)=CCCC1(C)C)=N\O)N(C)CC3)OCO2 198271733 SVSPODGIYWQUSW-SBMLBYOESA-N 426.557 5.112 30 10 IKEE CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2CC)cc1 252611307 IIVXHNFOHNOQFN-GOSISDBHSA-N 449.498 5.248 30 10 IKEE COc1cc(Br)cc(C=Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)c1O 252628716 SWCRZESAOKBJCZ-UHFFFAOYSA-N 441.256 5.861 30 10 IKEE COc1ccc(C(=O)[C@@H]2[C@H](c3cccs3)C(C#N)(C#N)[C@@H]3c4ccccc4C=CN23)cc1 252639570 YMCXLLPIHSKVQS-LSQMVHIFSA-N 437.524 5.167 30 10 IKEE COc1ccc(/C=C2\C[C@@H]3[C@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cc1OC 253566420 IXKJEQQDDXKZRU-QGXRVNRMSA-N 436.592 5.590 30 10 IKEE CC(=NNc1nc(-c2ccccc2)cc(-c2ccc(F)cc2)n1)c1cccc([N+](=O)[O-])c1 254405778 LAEZOPXWDZHZJL-UHFFFAOYSA-N 427.439 5.694 30 10 IKEE Cc1ccsc1/C=C1\SC(=Nc2ccccc2)N(CCc2c[nH]c3ccccc23)C1=O 254734392 QTMBFHSEKDXTSD-YOIRLTMBSA-N 443.597 6.385 30 10 IKEE C[C@@H](Nc1cc(Br)ccc1I)c1ccc(C#N)cc1 311639334 OYRRZACFVFOYKN-SNVBAGLBSA-N 427.083 5.098 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(Br)cnn1C(C)C 407148348 KISIMNXKAIVDMW-SJORKVTESA-N 443.430 5.127 30 10 IKEE CCCCCCC[C@@H](C=O)/C(=N/N)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 514277968 JEAOLTQOMYEXAA-UPWLQVFWSA-N 449.378 6.051 30 10 IKEE Cc1nnc(SCc2ccc(F)cc2)n1/N=C\c1ccc(OCc2ccccc2)cc1 526801698 ZYCBUYHUGMRFDZ-YSMPRRRNSA-N 432.524 5.479 30 10 IKEE COc1cccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2cccc(C)c2)c1 526808462 KATDYMAHDVDPQU-ONUIUJJFSA-N 428.561 5.360 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1cccc(Cl)c1Cl 526811477 LVKPWEWFWLIGAT-KSEXSDGBSA-N 439.799 6.365 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)N[C@@H](C)c3ccccc3)C2)c1 585933490 VNLJOEUOLWQZRF-GBXCKJPGSA-N 448.611 5.189 30 10 IKEE Cc1ccccc1N(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(Br)cc1 586205645 MNPIDIKBPSNAFA-UHFFFAOYSA-N 441.350 5.025 30 10 IKEE CC(C)[C@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)CC1 698481037 CWKOHQVBSJFIEA-JTSKRJEESA-N 435.406 6.689 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2cccc(OCc3ccccc3)c2)c1 698486745 QPEJWSPZXHEMLX-VWLOTQADSA-N 444.531 6.281 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 710819102 FQYYHVKDLLVKEV-HJPURHCSSA-N 449.979 5.621 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@@H](C#N)c1cccc(Cl)c1Br 719725373 HOGUZPJRYMCHDA-INIZCTEOSA-N 439.712 6.248 30 10 IKEE CN(C)c1ccc(/C=C/C=NN=C2CC[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]23C)cc1 885859695 KJCIEPRMJJUJPF-LNYXIOKTSA-N 445.695 7.625 30 10 IKEE Cc1ccc(-c2csc(NN=Cc3ccc(OCc4ccc(Cl)cc4)cc3)n2)cc1 1083902070 LBSKSZHLGQYXJK-UHFFFAOYSA-N 433.964 6.797 30 10 IKEE CCOC(=O)c1ccc(N=Cc2c(Br)c(C)n(-c3ccccc3)c2C)cc1 1084394869 FKGIMOLVNRTIOQ-UHFFFAOYSA-N 425.326 5.784 30 10 IKEE Cc1ccc(CSc2n[nH]c(NN=Cc3ccc(OCc4ccc(F)cc4)o3)n2)cc1 1084516475 LMKTUTFOJLJOKN-UHFFFAOYSA-N 437.500 5.163 30 10 IKEE Cc1ccc(-c2nc(N=Cc3ccccc3O)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 1084576170 ZZZMPPKOFYQIDN-UHFFFAOYSA-N 429.501 6.458 30 10 IKEE C/C(=C1/SC(=Nc2cccc(C(=O)O)c2)N(C2CCCCC2)C1=O)c1cccc(N)c1 1772735526 JNFVDBVYGYFIPO-POLMPROESA-N 435.549 5.294 30 10 IKEE O=C1/C(=C/c2ccccc2)SC(=NN=Cc2cc(Cl)ccc2O)N1Cc1ccco1 1772759051 KIZOGBULFTVMJK-SUGPBFTESA-N 437.908 5.145 30 10 IKEE N#Cc1cccc(C(=O)Oc2cccc3c(NC(=O)c4ccc5cc[nH]c5c4)cccc23)c1 1858929732 YXZIOFUKAKGMLO-UHFFFAOYSA-N 431.451 5.664 30 10 IKEE CCCOc1ccc(CC(=O)Nc2ccc(CC(=O)Nc3ccccc3C#N)cc2)cc1C 1860840111 CTWZFKLEEBAMNQ-UHFFFAOYSA-N 441.531 5.018 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)Nc1cccc(C(=O)Nc2ccc(C#N)cc2)c1 1860909666 CEYFQPPVPQBDIE-UHFFFAOYSA-N 440.286 5.378 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)Cc1cc(OC)ccc1Cl 1860977914 FIIAMKVFQVDBMH-DEOSSOPVSA-N 439.040 5.433 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)Cc1cc(OC)ccc1Cl 1860983303 YPUURCFUNKDDAF-QFIPXVFZSA-N 437.024 5.139 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](C)NC(=O)c1ccc2nc(CC(C)C)[nH]c2c1 1861451222 JCPHDKLIHLNJQR-LJQANCHMSA-N 428.621 5.137 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 1861821523 NXWKLCKRXFIFOT-GOSISDBHSA-N 425.957 5.014 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](NC(=O)/C=C/c1ccc(Cl)c(Cl)c1)c1ccccc1 1862158201 XQDOCMKRDKIXML-UFSNDUKISA-N 429.347 5.065 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@H]1c1ccc(C(=O)O)cc1 1862393584 YOZVCZXBWQWIAA-HSZRJFAPSA-N 449.547 5.496 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1cc(Cl)cc(Cl)c1 1862416640 QUVFUYBNNZCERZ-XTZNXHDOSA-N 440.273 5.648 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccccc2Cl)=C(O)C(=O)N1[C@H](C)c1ccccc1 1862429749 UGHTXKXJMFJCPR-UZUQRXQVSA-N 431.919 5.988 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1CCC1=CCCCC1 1862442403 IXANOVGCNXIBCM-HSZRJFAPSA-N 435.951 6.117 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1c(F)cccc1Cl)c1cccc(Cl)c1 1862449237 GIFFIQJHASUAJH-LJQANCHMSA-N 434.294 5.653 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1cccc(F)c1 1862458772 VIZUBTAGKOMSQM-ICNNEYJISA-N 447.428 5.400 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccs2)c1 1862479156 ZUCAHJGCXQXNHH-JOCHJYFZSA-N 433.529 5.234 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2c(F)cccc2Cl)cc1 1862480607 KQLPPWDXGJTXEA-QHCPKHFHSA-N 449.909 5.874 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2ccc(Cl)cc2Cl)cc1 1862483041 UQLSIVHQKNRMSH-FQEVSTJZSA-N 448.346 5.043 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCc2ccc(F)cc2)c1 1862490448 VXVZUYHJKLKFFR-RUZDIDTESA-N 443.518 5.572 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(Br)cc1 1862496482 LKALUKQNKKQAFG-FQEVSTJZSA-N 442.353 5.444 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc(Br)c3)=C(O)C(=O)N2CCC(C)C)cc1 1862523576 KOZCAUOUPKPZEQ-FQEVSTJZSA-N 442.353 5.382 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccccc1 1862614399 CGFFPGFGLVLMPR-DFBJGRDBSA-N 439.555 6.324 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc(F)c2)cc1 1862617749 XZEQFZFHIIAJDI-QHCPKHFHSA-N 435.539 6.034 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(O)cc1 1862649553 AWVISAZZDLJVHM-XMMPIXPASA-N 429.516 5.704 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(OC)c(OC)c1 1862669407 VPQRMXYVCTZFCJ-WAIKUNEKSA-N 437.536 5.204 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C2CCCCC2)c1 1862682095 KOABJEKRPPPAQH-QHCPKHFHSA-N 437.511 5.526 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1cccc(F)c1 1862703475 VHEIFJKCWCLBID-REWPJTCUSA-N 439.527 5.772 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862706538 YXYMZIXJNRHLGC-FQEVSTJZSA-N 447.453 5.483 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1 1862725099 AWGKHSSTNMWCFJ-QHCPKHFHSA-N 429.903 5.748 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(F)cc1F 1862725227 DERKXXMNZCEGEY-QHCPKHFHSA-N 433.454 5.619 30 10 IKEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccccc2)cc1 1862730735 DHPLSZGOJIVVAR-VWLOTQADSA-N 449.591 6.270 30 10 IKEE Cc1ccc(C2=C(Nc3cc(Cl)cc(Cl)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862896343 JLOBJYSCFJGSQN-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE Cc1ccc(NC2=C(c3ccc(F)c(C)c3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1C 1863094906 HCKPWBYFNNZLHL-UHFFFAOYSA-N 425.463 5.019 30 10 IKEE N#Cc1ccc(NC2=C(c3cc(Cl)ccc3Cl)C(=O)N(Cc3ccccc3)C2=O)cc1 1863388804 WLXGKRFHAUCVHM-UHFFFAOYSA-N 448.309 5.257 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccccc2F)=C(c2cccs2)C1=O 1863470740 VTFYNNWLTQQPAR-UHFFFAOYSA-N 428.573 6.220 30 10 IKEE CCc1ccc([C@H]2CN(c3cc(Nc4ccccc4C#N)nc(C(C)C)n3)CCO2)cc1 1868238785 WPGUCBYALNEZMW-HSZRJFAPSA-N 427.552 5.356 30 10 IKEE CC(C)N1CCN(c2cc(Nc3ccc(C#N)cc3)nc(C(C)(C)C)n2)c2ccccc21 1868355683 NMQWNFMIRASKDX-UHFFFAOYSA-N 426.568 5.756 30 10 IKEE N#Cc1nnn(-c2ccc(Nc3ccccc3)cc2)c1NC(=O)C12CC3CC(CC(C3)C1)C2 1870160689 FNDOFJANXSOGBD-UHFFFAOYSA-N 438.535 5.037 30 10 IKEE C=CCn1cc(OCc2cccc3ccccc23)c(=O)cc1CSc1ccc(C)cc1 1870277599 FVJPIIYWSUKURS-UHFFFAOYSA-N 427.569 6.367 30 10 IKEE C=CCn1cc(OCc2ccccc2F)c(=O)cc1CN1CCC(Cc2ccccc2)CC1 1870345875 QFVOHJUDDKPIKQ-UHFFFAOYSA-N 446.566 5.207 30 10 IKEE C=CCn1cc(OCc2c(Cl)ccc(Cl)c2Cl)c(=O)cc1CN(CC)CC 1870430699 DLTAKROFEPZEMI-UHFFFAOYSA-N 429.775 5.415 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2)c(=O)cc1CN(CCC)CCC 1870468459 GAVHQYBQAMSDDM-UHFFFAOYSA-N 426.645 6.410 30 10 IKEE CCCCCCCCn1cc(OCc2c(C)noc2C)c(=O)cc1CN1CCC[C@@H](C)C1 1870565263 BCUQJBNFNSZMAG-HXUWFJFHSA-N 443.632 5.625 30 10 IKEE Cc1cccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCCOC(C)C)c1 1871253485 BZPZZXFTNBYNSX-UHFFFAOYSA-N 445.563 5.035 30 10 IKEE CC(C)CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccccc1C(C)C 1871254865 IIHNHMSMDCGSEN-UHFFFAOYSA-N 443.591 6.081 30 10 IKEE CC(C)(C)Oc1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2cccs2)C4=O)cc1 1871344888 GQEKZUOIPLAOSP-QRVIBDJDSA-N 447.556 5.894 30 10 IKEE CCCCOCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccccc1Cl)C3=O 1871350554 KWFWQGSSCHUWPD-HMAPJEAMSA-N 427.928 5.315 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc2c(c1C)O/C(=C\c1ccccc1F)C2=O 1871370826 BIXGHXPBZOLVRE-JLPGSUDCSA-N 446.474 5.823 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OC(=O)Cc3cc(Cl)ccc3Cl)ccc2C1=O 1871376300 DMGJVJUWUHOTFD-ODLFYWEKSA-N 445.323 6.128 30 10 IKEE CCOc1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871380009 RNZUNRXCHBYPEN-YXTGAXEWSA-N 440.495 5.937 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3c(ccc(OC(=O)CC4CCCCC4)c3C)C2=O)c1 1871380569 VQOHHBCMYYBRLV-HAHDFKILSA-N 436.504 5.504 30 10 IKEE CCc1ccc(OCCCOc2cc(C)c3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871412976 OBLJTTYIBOESKC-XYGWBWBKSA-N 448.946 6.675 30 10 IKEE CC(=O)c1ccccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1cccc(C)c1)C2=O 1871442088 YXMPPXJKVGIWNZ-OYKKKHCWSA-N 441.483 5.140 30 10 IKEE CCc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1 1871454571 RXEAGWDTRSHNTH-OYKKKHCWSA-N 427.500 5.500 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1cccs1)C2=O)Nc1cc(Cl)ccc1Cl 1871457606 PMYCQXHFHDCSNL-GRSHGNNSSA-N 446.311 5.689 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1cc(C)ccc1C 1872083641 KXSRWRNBICNQJZ-QHCPKHFHSA-N 442.625 5.240 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc2nc(-c3ccc(Cl)c(Cl)c3)[nH]c2c1 1872739571 TZQRVJRJLHPXPG-UHFFFAOYSA-N 446.422 7.407 30 10 IKEE COc1cccc(-c2csc([C@@H](C#N)C(=O)COc3cc(C)c(Cl)c(C)c3)n2)c1 1872762915 ZTURPMLIQBRCOS-SFHVURJKSA-N 426.925 5.344 30 10 IKEE Cc1ccc(C)c(-c2csc([C@@H](C#N)C(=O)c3ccccc3C(=O)c3ccccc3)n2)c1 1872772123 KKYQFCOLMBYYCG-QHCPKHFHSA-N 436.536 6.148 30 10 IKEE COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1 1872778046 CDSPHABBCHJEIR-OAHLLOKOSA-N 433.316 5.624 30 10 IKEE COc1cc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(C)c(C)c3)cs2)ccc1OC(C)=O 1872783100 RHVWUNZKJIKCTP-AQDCRGGLSA-N 446.528 5.251 30 10 IKEE N#Cc1ccc(OCc2cccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)c2)cc1 1872851615 IXKMJBLSRAUUIL-UHFFFAOYSA-N 432.523 5.980 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2[C@H](C)CC)=C(c2ccccc2C)C1=O 1873305402 BNCSKPYCYJXDOM-OAQYLSRUSA-N 446.635 7.061 30 10 IKEE CCCCCCCCC(=O)Nc1sc2c(c1C(=O)NCCc1ccccc1)CCCC2 1873457564 USGOVZCHJBOOKQ-UHFFFAOYSA-N 440.653 6.289 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)c(=O)oc2c1 1873977306 OLSOZZPQYXFTJY-IBGZPJMESA-N 445.559 5.355 30 10 IKEE CCCSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1ccc(OCC)cc1 1874259125 PMKBFDJFACIOAL-KOEQRZSOSA-N 438.597 5.593 30 10 IKEE Cc1ccccc1CSc1nnc(CCCOc2ccccc2)n1/N=C/c1ccccc1 1874316273 LBMAIWHOUWXUNJ-ZXVVBBHZSA-N 442.588 5.773 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3ccccc3F)nnc2-c2ccccc2Cl)cc1 1874366983 FCKBRNFJDRZEBL-LGJNPRDNSA-N 440.906 6.051 30 10 IKEE C=CCSc1nnc(CCc2cccs2)n1/N=C/c1ccc(OCCCC)cc1 1874371351 UZHSIQPSVRZFEV-HAVVHWLPSA-N 426.611 5.464 30 10 IKEE COc1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2C)cc1 1874379343 NBLASMRSBWQRIQ-JVWAILMASA-N 446.551 5.500 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2ccccc2)n1/N=C/c1ccc(Cl)cc1 1874398408 FLGATXBNPBXKRU-WPWMEQJKSA-N 447.007 6.200 30 10 IKEE O=C(CSc1nnc(CC2CCCCC2)n1/N=C/c1ccccc1)Nc1ccccc1 1874405186 KVYJACPQWXHJAU-KOEQRZSOSA-N 433.581 5.014 30 10 IKEE Cn1cccc1/C=N/n1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1cccs1 1874424295 DNCLIFSZDQPHOC-SSDVNMTOSA-N 448.404 5.826 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CCCC2)c1O 1874456380 OSAMJBBMCLIGPH-ZMOGYAJESA-N 442.972 5.478 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874476529 PTCNWVLZLDPTKW-YDZHTSKRSA-N 430.961 5.163 30 10 IKEE Cc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2c(Cl)cccc2Cl)cc1 1874490814 LOHUCOSCOSBMIA-WYMPLXKRSA-N 433.408 6.266 30 10 IKEE Clc1ccccc1CSc1nnc(C2CC2)n1/N=C/c1ccc(Br)cc1 1874519998 WTAYPJGERAFXIY-SSDVNMTOSA-N 447.789 5.746 30 10 IKEE CCCc1ccc(OCc2nnc(S)n2/N=C/c2c(OC)ccc3ccccc23)cc1 1874566777 NLBRWFBPUFGARN-MFKUBSTISA-N 432.549 5.142 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 1874576915 MZNQOHJLGKUALX-JXMROGBWSA-N 447.745 7.131 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1c(OCc2ccccc2F)ccc2ccccc12 1874581173 AIBFGQMWZQXZOK-BUHFOSPRSA-N 426.487 6.771 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c(Br)c1OCCO 1874596860 GWBRPSBQHWGTLC-YRNVUSSQSA-N 433.342 5.022 30 10 IKEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)o1 1874601946 LGCAYKQYENAVRV-VMPITWQZSA-N 441.823 5.103 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OCc1cc(C)ccc1C 1874602915 FRUONJUKPJCDRB-RVDMUPIBSA-N 436.551 7.330 30 10 IKEE CCOc1c(Br)cc(/C=C/C(=O)c2ccc(C)cc2C)cc1Br 1874615074 FZCZBZASQXLXQE-SOFGYWHQSA-N 438.159 6.123 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(Br)cc2)c1)c1cccc(Cl)c1 1874699538 ZOTRGDZKFOSKNZ-KPKJPENVSA-N 441.708 6.218 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccccc2Br)c1)c1ccc(F)cc1F 1874699727 JZGKGSKNPGIYOU-DHZHZOJOSA-N 443.243 5.843 30 10 IKEE COc1ccc(OCCCC(=O)Oc2cc(/C=C/C(=O)c3ccccc3)ccc2OC)cc1 1874700951 UWAFWEHGXUJVCG-MHWRWJLKSA-N 446.499 5.365 30 10 IKEE COc1ccccc1CC(=O)Oc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC 1874703873 LUUIFGGEZAAWKQ-XYOKQWHBSA-N 434.463 5.196 30 10 IKEE COc1ccccc1CCC(=O)Oc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC 1874703951 PBSLAQNEVXUQSC-MDWZMJQESA-N 448.490 5.586 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OC(=O)COc2ccc(Cl)cc2)c1 1874704382 MNFOLXHCQWUKCJ-KPKJPENVSA-N 436.891 5.538 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1OC(=O)c1ccc(Cl)cc1 1874707782 WRLHRKVUWMCSEV-XNWCZRBMSA-N 436.847 5.193 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1cccc(/C=C/C(=O)c2ccc(C(C)C)cc2)c1 1874710035 PPXXNZJCIHOBIL-NTUHNPAUSA-N 434.919 6.587 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1OC(=O)c1cccc(C)c1 1874710400 ALFKEAUYVZQVKC-PKNBQFBNSA-N 430.500 5.744 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3cccnc3)c(OC)c2)cc1 1875105786 MPIUZSSOSNAGBG-JLHYYAGUSA-N 449.934 6.202 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)cc3)c(OC)c2)cc1 1875107881 NXJIFXSHKZUUBK-LZYBPNLTSA-N 448.946 6.807 30 10 IKEE C[C@@H](Oc1ccc(Cl)cc1)C(=O)Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1 1875111536 JGHPFZLJBYKCMW-WPBGYSLVSA-N 441.310 6.262 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(Cl)c(C)c3)cc2)cc1 1875112950 SYMBDZGJAHSLJZ-LHHJGKSTSA-N 436.891 5.538 30 10 IKEE Cc1ccccc1CCC(=O)Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1[N+](=O)[O-] 1875113783 XTEXCBIIRNKMFO-JLHYYAGUSA-N 449.890 5.991 30 10 IKEE O=C(COc1ccc(Cl)cc1Cl)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1 1875127630 PIPKTNWPTDYQFB-XYOKQWHBSA-N 427.283 5.874 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)c1cc(OC)cc(OC)c1 1875137079 UXOBNRSCCSLLKK-XYOKQWHBSA-N 446.499 5.526 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)Cc1ccc(F)c(C)c1 1875140187 USAYFEOMPSMILE-DHZHZOJOSA-N 432.491 5.804 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2cc(C)ccc2C)cc1OCC 1875140338 AZYWSAIRYVQHSA-BUHFOSPRSA-N 442.983 7.127 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)c1ccccn1 1875140828 ZQTLDFYSBJTIER-ZHACJKMWSA-N 435.907 5.866 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1cc(C)cc(C)c1 1875152691 POKKOKJEODTPJR-QPJJXVBHSA-N 430.456 5.156 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 1875158529 AAZCQOQZRSSSQZ-WUXMJOGZSA-N 435.407 5.248 30 10 IKEE O=C(Cc1cc(Cl)ccc1Cl)Oc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1 1875162107 WZSGNTDFFAHDFE-XCVCLJGOSA-N 447.264 6.316 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1cccc(Cl)c1 1875163869 HOXPRCAKQIDKEK-UXBLZVDNSA-N 442.845 6.132 30 10 IKEE CCCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1OC 1875167583 HPILQMUZMINSNQ-ZRDIBKRKSA-N 426.509 5.321 30 10 IKEE C=CCn1c(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc2c(NCCCCCCCC)ncnc21 1875230413 YKFFYQLRROXIGI-PMACEKPBSA-N 425.621 5.508 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CC1(CNC(=O)OC(C)(C)C)CCCCC1)NCC 1922107367 LIUXQKBMMNQDRQ-HSZRJFAPSA-N 430.633 5.603 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1scc(Br)c1Br 1922117576 BEVKZZDMDMMXGF-MRXNPFEDSA-N 445.220 5.697 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)[C@@H]2CCC[C@@H]21 1926556878 ZKLGTEMSBCNFGY-STSQHVNTSA-N 447.601 5.167 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@]1(C#N)CN(Cc2ccccc2)C2(CCCC2)C1 1934841070 BGYKBVFGPJRZRC-MUUNZHRXSA-N 445.607 5.905 30 10 IKEE C=CCN(CC[C@@H](NCC)c1ccc(Br)c(Cl)c1)C(=O)OC(C)(C)C 2041564688 XPGHYLOFSZHPHJ-QGZVFWFLSA-N 431.802 5.566 30 10 IKEE N#C[C@H](NCCCN=[N+]=[N-])c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071260019 BSMMNUCNLQFWNK-QHCPKHFHSA-N 427.508 5.699 30 10 IKEE Cc1ccc([C@@H](C2CCC2)n2nc(C3CC3)c(/C=N/O)c2I)cc1C 2079131235 QDZBXWOJPGKKNP-AZHVYHFMSA-N 449.336 5.180 30 10 IKEE CC1([C@H](c2ccc(C(F)(F)F)cc2F)n2nc(C(F)F)c(C=NO)c2Cl)CC1 2079982673 AEVSPIBWGBZPFQ-ZDUSSCGKSA-N 425.760 5.830 30 10 IKEE ON=Cc1c(C2CC2)nn([C@@H](c2ccc(C(F)(F)F)c(F)c2)C2CC2)c1Br 2079997636 GCJWNMVOJQXFBZ-MRXNPFEDSA-N 446.242 5.488 30 10 IKEE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@@H](C#N)c1ccc(Br)c(Cl)c1F 2098121234 PCHXWCDEGJKIAL-FZMZJTMJSA-N 447.732 5.222 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](Cc2cccc(Cl)c2Br)NC)C1 2126684833 LJHMJHIHERQXFJ-MRXNPFEDSA-N 443.813 5.094 30 10 IKEE C[C@H]1[C@H](Nc2cc(Br)c(C#N)cc2F)C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2162386502 CLQVLCODHXHSJW-DLLRYNTMSA-N 438.341 5.048 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)C1(C#N)C[C@H]2[C@H](C1)[C@H]1CC[C@H]2O1 2174480660 VUQJBFMGYSZAJO-WNRNVDISSA-N 433.346 5.040 30 10 IKEE CCN(C(=O)OC(C)(C)C)c1ccc(CNc2cc(Br)ccc2C#N)cc1 2176856117 PFXMTJWAMDHJBF-UHFFFAOYSA-N 430.346 5.694 30 10 IKEE Cc1cc(C#N)cc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)c(Br)c2)c1 2181050341 RNCWGDWIPZHTGT-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCC)c2c(F)ccc(F)c2Br)C1 2183005945 DWSOCKGEMIZUDX-QGZVFWFLSA-N 445.348 5.239 30 10 IKEE CCC#C[C@H](NCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2218458312 PEMASRFCSRPXDM-LBNVMWSVSA-N 429.560 5.270 30 10 IKEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1sc(C)c(Br)c1C 2218930221 ATBWGFHUGJJBJO-HOCLYGCPSA-N 429.424 5.085 30 10 IKEE C=CCCCCCCC[C@H](NC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2220090394 WTBKETQFMXJPSY-IGKIAQTJSA-N 443.676 5.661 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@H]1C[C@@H]2C[C@H](C1)CN(C(=O)OC(C)(C)C)C2 2249753257 DQDOZKVDMXVRIA-UEQSERJNSA-N 428.617 5.021 30 10 IKEE CCCN[C@H](C#CC1CCCC1)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2251412691 ZKDMIRZQBQTNFD-HUVFLSCGSA-N 428.617 5.047 30 10 IKEE C=CC[C@@]1(COc2cc(Br)c(Cl)cc2N)CCN(C(=O)OC(C)(C)C)C1 2272234924 VJNZARPYSWOICQ-LJQANCHMSA-N 445.785 5.267 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CN[C@@H]2CCCC[C@@H]2C1 2279698568 VRFVSUYREFNEHX-FQELHTAISA-N 434.378 5.005 30 10 IKEE CCCCN(C)Cc1c(O)ccc2c1OC(=Cc1cc(Br)ccc1OC)C2=O 2296607563 SNSAQKHQFIFODM-UHFFFAOYSA-N 446.341 5.011 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccccc2OC(=O)N(c2ccccc2)c2ccccc2)cc1 2314429679 MCJGQSVUMQFHPM-UHFFFAOYSA-N 433.507 7.228 30 10 IKEE COC(=O)c1ccc(COc2ccc3c(c2)OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)cc1 2314437900 ZVAPNJYYKRPRSA-UHFFFAOYSA-N 442.511 5.966 30 10 IKEE CCOc1ccc2c(c1)OC(=Cc1cccc(OCC)c1OC(=O)c1ccccc1F)C2=O 2314527330 QBRXHDVTYLQSNG-UHFFFAOYSA-N 448.446 5.459 30 10 IKEE CN1C(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=Nc1ccncc1Cl 2314542151 HKGFWIMPYSEDRW-UHFFFAOYSA-N 440.868 5.137 30 10 IKEE COc1cc(C=Nn2c(SC)nnc2C(C)C)ccc1OCc1cccc(Cl)c1 2318418234 UJTPGQDNAJFXNQ-UHFFFAOYSA-N 430.961 5.247 30 10 IKEE O=C1C(=Cc2cccc(Br)c2)Oc2c1ccc1c2CN(C2CCCCC2)CO1 2322016254 ZIMFJSKIVPNOEI-UHFFFAOYSA-N 440.337 5.550 30 10 IKEE CCCCCCN1COc2c(cc3c(c2C)OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)C1 2322368854 JRZZYUWGVGALQH-UHFFFAOYSA-N 433.592 6.641 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2cc(Br)ccc2OCc2ccccc2)c1C 2322839821 MLCDOKRMGVHNSX-UHFFFAOYSA-N 449.388 7.158 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(Cl)cc1C=CC(=O)c1c(C)cc(C)cc1C 2322948899 PDNYUJFORPEKLL-UHFFFAOYSA-N 441.999 6.189 30 10 IKEE COc1ccccc1C=C1Oc2cc(OC(=O)c3ccc(F)c(F)c3F)cc(C)c2C1=O 2323126918 YYJTVJNIBBOAOD-UHFFFAOYSA-N 440.373 5.256 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1OCc1cccc2ccccc12 2323195577 VTVHRRFXIJFGHQ-UHFFFAOYSA-N 438.479 6.052 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OCC(=O)Nc3c(C)cccc3C)c(Cl)c2)c1 2323486794 GSWPPWQFWHPQHU-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2)ccc1OCc1cc(C)ccc1C 2323579726 OCLIFTIFEQSOTO-UHFFFAOYSA-N 430.544 6.494 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)ccc1OCC(=O)Nc1ccccc1C 2323620151 BOOJPGYIXCMKCN-UHFFFAOYSA-N 449.934 5.961 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCc3ccc(F)cc3)cc2)cc1OCCC 2323743940 KJZXTXWQJBLEDZ-UHFFFAOYSA-N 448.534 6.878 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Cl)c1OCC(=O)OCC(C)C 2323756547 MMLMJXAMIURRMY-UHFFFAOYSA-N 437.319 5.476 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 2323802846 VERDFDFPRNHMBC-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3cccc4ccccc34)cc2OC)o1 2324151856 UCJPTKIKGKMNOF-UHFFFAOYSA-N 442.467 5.703 30 10 IKEE N#C[C@@H](C(=O)C=Cc1ccc2c(c1)OCCO2)c1nc(-c2ccc3ccccc3c2)cs1 2324352141 MXUPCTFYFFGHST-NRFANRHFSA-N 438.508 5.624 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(C(C)C)cc3)n2)cc1OC 2324366202 ZTHOHXYZCSPDRR-HXUWFJFHSA-N 432.545 5.840 30 10 IKEE COc1ccccc1-c1csc([C@H](C#N)C(=O)C=Cc2ccc(Cl)c(Cl)c2)n1 2324455641 ZYSJVEYRLJDAGR-OAHLLOKOSA-N 429.328 6.015 30 10 IKEE COc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1C)OC(=Cc1cccc(C)c1)C2=O 2324474116 PXBBXXNMBIVJNS-SFHVURJKSA-N 443.499 5.334 30 10 IKEE Cc1ccc(OCCCOc2ccc3c(c2C)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)cc1 2324547704 WSYKWXPFVDRHCG-UHFFFAOYSA-N 445.471 5.676 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccccc1)C2=O 2325005224 KQWZXGBBOKTZES-UHFFFAOYSA-N 427.500 5.500 30 10 IKEE O=[N+]([O-])c1cccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccc(F)cc2)c1 2325471236 MORJKNQFUKSUTI-UHFFFAOYSA-N 447.495 5.091 30 10 IKEE O=C(C=Cc1cccc2ccccc12)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 2325616512 IHPFZYFWBPREPP-UHFFFAOYSA-N 427.887 6.507 30 10 IKEE O=C(COc1ccccc1)Oc1cccc(C=CC(=O)c2ccc(Br)cc2)c1 2325716347 AZEJSRPKZZZMOC-UHFFFAOYSA-N 437.289 5.330 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4cc(Cl)ccc4C)ccc3C2=O)cc1 2325723409 LCKMPGYSIPZNIC-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2cc(Cl)ccc2Cl)c1)c1ccc(F)cc1F 2325725991 IKEAWGPSTMLDGL-UHFFFAOYSA-N 433.237 6.387 30 10 IKEE COc1ccc(C=CC(=O)c2cccc3ccccc23)cc1OC(=O)c1ccc(F)cc1 2325748949 RVOAIJYLAIFIEW-UHFFFAOYSA-N 426.443 6.103 30 10 IKEE COc1ccccc1CC(=O)Oc1cccc(C=CC(=O)c2ccc(OC)c(C)c2C)c1 2325755519 SNBFDGHDGONVMH-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1OC(=O)[C@H](C)c1ccccc1 2325757320 LEIAMWZEPVDFGG-HXUWFJFHSA-N 444.527 5.926 30 10 IKEE Cc1cccc(CSc2nncn2N=Cc2cc(Cl)c(OC(C)C)c(Cl)c2)c1 2326374732 ABHPNQXHCXRLTD-UHFFFAOYSA-N 435.380 5.855 30 10 IKEE COc1ccc(C=Nn2c(C)nnc2SCc2cc(C)cc(C)c2)c(Cl)c1OC 2326398978 VGCHQCGIDOPROL-UHFFFAOYSA-N 430.961 5.048 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccccc2C)c(C)c1 2326460606 GIXFRITWKQWWLU-UHFFFAOYSA-N 440.616 6.163 30 10 IKEE CCOc1ccc2ccccc2c1C=Nn1cnnc1SCc1c(F)cccc1Cl 2326566217 HRKOMEARWKPHJX-UHFFFAOYSA-N 440.931 5.797 30 10 IKEE CCCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1cccc2ccccc12 2327300407 VFPCLSIEKQPECQ-UHFFFAOYSA-N 444.604 6.320 30 10 IKEE C=CCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(OCCC)cc1 2327770663 QABIIAFSIYDXEX-UHFFFAOYSA-N 442.588 5.971 30 10 IKEE CCCCOc1ccc(C=Nn2c(CCc3ccccc3OC)nnc2SCC)cc1 2328685542 ORWHSDBHRAOWCL-UHFFFAOYSA-N 438.597 5.245 30 10 IKEE CCc1ccc(C=Nn2c(COc3ccccc3)nnc2SCc2cccc(C)c2)cc1 2329888197 NPBAMRGCPCBDJD-UHFFFAOYSA-N 442.588 5.902 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2ccc(F)cc2)nnc1[C@H](C)c1ccccc1 2330064048 VUGCZFNDCBEQFJ-LJQANCHMSA-N 430.552 6.052 30 10 IKEE Cc1ccc(CSc2nnc(CC3CCCCC3)n2N=Cc2cccc([N+](=O)[O-])c2)cc1 2330232977 RWLIPDSWIWBQID-UHFFFAOYSA-N 449.580 5.792 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccccc2)n1N=Cc1ccccc1C(=O)O 2330458201 BJDPHYUSXMRIPE-UHFFFAOYSA-N 442.544 5.050 30 10 IKEE O=[N+]([O-])c1ccccc1C=Nn1c(SCc2ccccc2F)nnc1-c1ccccc1 2330671316 YKPYECHZRRYIOU-UHFFFAOYSA-N 433.468 5.167 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(C)c3)cc2)cc1 2330854839 JXIOSGDLWCSNLW-UHFFFAOYSA-N 444.527 5.837 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cc(C)ccc3C)c(OC)c2)cc1 2330990224 ZQUCGFISGOQCQF-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(C=CC(=O)c3cccc(Cl)c3)cc2Cl)c1 2331122816 NTDDIPVVNSAAQB-UHFFFAOYSA-N 439.338 6.654 30 10 IKEE COc1cc(C=Nn2c(SCc3ccccc3)nnc2-c2ccco2)ccc1OC(C)C 2331205327 GEYIMKJUCVTUMM-UHFFFAOYSA-N 448.548 5.508 30 10 IKEE CCCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccc(C)cc2C)cc1OCC 2331231777 BCKMKJAJTMVFFD-UHFFFAOYSA-N 445.353 6.066 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)CCc1ccc(OC)cc1 2331282288 ZBSGYPGLMLJVMW-UHFFFAOYSA-N 444.527 5.837 30 10 IKEE COCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(C(C)C)cc1 2331300826 RBQLDRDRYPKKAI-UHFFFAOYSA-N 444.604 5.918 30 10 IKEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1cccc2ccccc12 2331330026 LHIDDECCUVZIAZ-UHFFFAOYSA-N 445.548 5.857 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3F)c(Cl)c2)ccc1F 2331337530 GRKMNVRWNSXGPK-UHFFFAOYSA-N 430.809 6.181 30 10 IKEE CCCCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1N=Cc1ccc(CC)cc1 2331350671 KOZHHJRAOMYSEQ-IBGZPJMESA-N 449.624 5.035 30 10 IKEE Cc1cccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C(C)(C)C)c1 2331411921 QRJKXZYXWXPRSH-UHFFFAOYSA-N 433.408 6.365 30 10 IKEE Fc1cccc(CSc2nnc(C3CCC3)n2N=Cc2ccc(Cl)cc2Cl)c1 2331500890 LBQWPOCGVDKOOH-UHFFFAOYSA-N 435.355 6.166 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc(OC)c1OC(=O)C1CC1 2331592507 RTWKJHLYOXEMFU-UHFFFAOYSA-N 444.483 5.708 30 10 IKEE COC(=O)c1ccc(CSc2nnc(C(C)C)n2N=Cc2ccc(C(C)(C)C)cc2)o1 2331695879 LQQWZYWPOHPNRB-UHFFFAOYSA-N 440.569 5.253 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(C(C)(C)C)cc1 2331707121 KLNGTHSOZQVBMU-UHFFFAOYSA-N 427.017 6.527 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3C)cc2)c(OC)c1 2331716964 WHDBKTQBOHGPFG-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCSC)c(Cl)c2)cc1Cl 2331819182 JKBLNSKOZTTXOK-UHFFFAOYSA-N 439.360 5.947 30 10 IKEE CC1(C)OB(c2cccnc2Nc2ccc(Cl)c(Br)c2Cl)OC1(C)C 2337001202 AOMOCRRLWMDCAP-UHFFFAOYSA-N 443.965 5.194 30 10 IKEE CC(C)(C)OC(=O)NC[C@H](Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C(C)(C)C 2339606015 LLQRIJVAYWPHSV-SFHVURJKSA-N 446.397 5.044 30 10 IKEE Cc1cc(NC(=O)OC(C)(C)C)cc(C)c1Oc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2341195453 CIDXZNSPZLXBRW-UHFFFAOYSA-N 440.349 5.137 30 10 IKEE CCCCCCc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(C#N)cc3)cc2)cc1 3064749 ZOPCOMMCFHEWGC-UHFFFAOYSA-N 427.500 6.119 30 10 IKEE COc1cc(/N=C(\O)Cn2c(SCc3cccc(C)c3)nc3ccncc32)cc(OC)c1 8913006 WCSSZLMRFCIOKE-UHFFFAOYSA-N 448.548 5.337 30 10 IKEE COc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 9601018 RKVRSJGSJWAWLW-CHJDUVSTSA-N 431.535 6.916 30 10 IKEE C/C(=N\n1c(-c2ccccc2F)cs/c1=N\c1cccc(C)c1C)c1ccccc1O 14357186 OGJMBJFQXFUEJO-IGIGDICZSA-N 431.536 6.183 30 10 IKEE C=CCOc1ccc(NC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1 14642062 HWMSYPPIGGUJHL-UHFFFAOYSA-N 438.321 5.698 30 10 IKEE CC(C)c1ccc(/C=C2\CN(Cc3ccccc3)C/C(=C\c3ccc(C(C)C)cc3)C2=O)cc1 15224931 HWIJGHAHEVQVHH-GFTXTJKWSA-N 449.638 7.485 30 10 IKEE C=C(C/C=C/C(C)(C)O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C 29325288 HSBKLMIYIQJQRR-IHSJTJJSSA-N 442.728 7.306 30 10 IKEE Cc1ccc(C(=O)/N=C(/NCCc2c[nH]c3ccccc23)Nc2cccc(Cl)c2C)cc1 32943318 NTWGTBBYZJDCMO-UHFFFAOYSA-N 444.966 5.879 30 10 IKEE Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C\c1ccc2ncccc2c1 33921174 QNDXIMOAPNZAPA-UVTDQMKNSA-N 434.926 7.308 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1 34954826 MHGKUBJWRDSXMB-SYZQJQIISA-N 437.289 5.573 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2Cl)C3=O)cc1 35550204 NYPUZBWIPSKUFT-JAIQZWGSSA-N 425.267 6.137 30 10 IKEE C=CCC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)[C@@H](C)CC 36316219 VGRZRQZVQQUTOX-JTHBVZDNSA-N 433.596 5.807 30 10 IKEE C/C(=C1/S/C(=N/c2cccc(C)n2)N(C2CCCCC2)C1=O)c1ccc([N+](=O)[O-])cc1 39863690 PFJDZLNILRBEKB-REHDBGDWSA-N 436.537 5.625 30 10 IKEE O=C1/C(=C/c2ccc(O)c(O)c2)S/C(=N/c2ccncc2Cl)N1C1CCCCC1 39864575 CRXCEPCRZPLFNR-JXQPYYAVSA-N 429.929 5.083 30 10 IKEE C=CCc1ccc(OCCCCn2c([C@@H](C)NC(=O)C3CC3)nc3ccccc32)c(OC)c1 40190605 IADLSFBWJVJBOQ-LJQANCHMSA-N 447.579 5.220 30 10 IKEE C=CCc1ccccc1OCCCn1c([C@@H](C)NC(=O)c2cccs2)nc2ccccc21 40196799 ZGRDMRKDUJUFAO-LJQANCHMSA-N 445.588 5.786 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)cc(C)c3C2=O)cc1 41288630 UBKTWKURLHIJFX-XYGWBWBKSA-N 440.539 6.690 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(C(C)C)cc1)C3=O)CN(Cc1ccc(F)cc1)CO2 41587205 ZQBCTOUSEPKUQG-ROTLSHHCSA-N 443.518 6.226 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc4c3CN(CCCc3ccccc3)CO4)C2=O)cc1 41658910 SMOKWDZVERZCGG-ONUIUJJFSA-N 425.528 5.650 30 10 IKEE Cc1cc(Br)c(/N=C2/N[C@@H](c3ccccc3)CS2)c(Br)c1 63001056 JTAMFNOUEGTQJW-CQSZACIVSA-N 426.177 5.585 30 10 IKEE C/C(=N\OCc1cccc(C#N)c1)c1cc(-c2ccc(F)cc2)n(-c2cccc(C)c2)c1C 97632613 LVRLFUCMBKIRTN-AJBULDERSA-N 437.518 6.713 30 10 IKEE CCCCCCCCCCCCCCCCNCCOc1ccc(C(C)(C)CC)cc1 100023687 TXVTVZSIRMTEDB-UHFFFAOYSA-N 431.749 8.824 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)CNc1ccccc1OCC(C)C 100081415 ITSSFFQWLRPTAD-UHFFFAOYSA-N 446.720 7.731 30 10 IKEE Cc1ccc(C(=O)O/N=C2\C[C@@]3(C(=O)Nc4ccc([N+](=O)[O-])cc4)CC[C@@]2(C)C3(C)C)cc1 100965846 QUYBUTJQAAJXEB-OUIYBEPVSA-N 449.507 5.271 30 10 IKEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 102483602 PBFONPZZAZUSLC-UGUGFTGJSA-N 426.516 5.314 30 10 IKEE O=C1/C(=C\c2cc(Cl)cc3c2OCOC3)Oc2cc(OC/C=C/c3ccccc3)ccc21 102769438 YGYWXFZFWTVZJZ-NRKDSSPYSA-N 446.886 5.915 30 10 IKEE COc1cc(/C=N\n2c(C)nnc2SC)ccc1OCc1ccc(Cl)c(Cl)c1 169914785 FJTLUBVHSJIXIS-YVNNLAQVSA-N 437.352 5.085 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2ccc(C)c(C)c2)cc1 169924030 VSJDDJFQJMRKJF-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCCOc1c(Cl)cc([C@@H]2NC(=S)NC(C)=C2C(=O)c2ccccc2)cc1OCC 169938277 YNIGDXKPJRRKOF-FQEVSTJZSA-N 444.984 5.203 30 10 IKEE CCCOc1c(OCC)cc(/C=N\Nc2nc(-c3ccc(F)cc3)cs2)cc1[N+](=O)[O-] 169940654 DLVTUQZFUZUQEA-FMCGGJTJSA-N 444.488 5.491 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2cccc(C)c2)c1 169972858 LLYRFEBFXKWZRP-DEOSSOPVSA-N 445.490 5.230 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2)cc1 169974859 AOEUOOSRFYYVLZ-HSZRJFAPSA-N 429.491 5.906 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccc(OC(C)C)c2)cc1 169979642 MTGANEXWQGLPMM-VWLOTQADSA-N 441.527 5.819 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)C)cc2)cc1C 170067190 NSXGPHYBSZPJSS-DEOSSOPVSA-N 445.515 5.499 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccccc2C)c1 170086391 JFYOGARFGSWUHS-AREMUKBSSA-N 449.506 5.940 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCCC)c2)[C@H]1c1ccccc1OC 170125557 INRZDYYBJUHOAW-HSZRJFAPSA-N 437.536 5.253 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2cccs2)ccc1Cl 170155235 RBWQPGRJZLQPCF-IBGZPJMESA-N 443.883 5.332 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4)[C@H]3c3cccs3)oc12 170159378 XQMTZTHQZBAKEE-FQEVSTJZSA-N 431.469 5.286 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccn1 170169920 CRYNZOCDPKJGAY-HSZRJFAPSA-N 444.506 5.610 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccc2F)cc1 170247912 JNQCEZVOBXODFO-QHCPKHFHSA-N 449.453 5.537 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2F)ccc1Cl 170253473 HPWNTXSFPANVBO-NRFANRHFSA-N 443.902 5.399 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1c[nH]c2ccccc12 170255928 RXFQJTQRWXQFSI-HSZRJFAPSA-N 432.520 5.253 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccccc2C)cc1 170272593 VIUMOAHFISMJCP-CJAUYULYSA-N 439.511 5.410 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)C)cc2)[C@@H]1c1ccco1 170280937 CWFSQBMTPLYIRG-HSZRJFAPSA-N 445.515 5.811 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3cccc(OCC(C)C)c3)[C@@H]2c2ccco2)c1 170285534 XIKKSBXFKLPXJO-DEOSSOPVSA-N 445.515 5.714 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccc(C)o2)c1 170302184 WUSZHXVHLPDQRD-RUZDIDTESA-N 437.495 6.141 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1c(C)[nH]c2ccccc12 170311808 WFEJHARVLZEGGG-DEOSSOPVSA-N 446.547 5.642 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1sccc1C 170319461 MJQYTOLGAOPEFF-IBGZPJMESA-N 443.952 6.225 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1OCC 170371731 WFDYTKOSTUAJKK-DEOSSOPVSA-N 443.499 5.267 30 10 IKEE CCOc1cccc(CN2C(=O)C(O)=C(C(=O)CC(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)c1 170471941 HQGSVBRGIBWCCJ-RUZDIDTESA-N 449.591 5.894 30 10 IKEE Cc1ccc(Cn2nc(C)c(/C=C\C(=O)Nc3cccc(OCCCC#N)c3)c2C)cc1 207277091 JKUFXYDBMSQCNY-YPKPFQOOSA-N 428.536 5.191 30 10 IKEE C=CCn1c(SCCCCOC(=O)C(C)(C)C)nnc1C12CC3CC(CC(C3)C1)C2 253568366 LDDAYLJVJRNHLJ-UHFFFAOYSA-N 431.646 5.394 30 10 IKEE COc1ccc(NN=C(Sc2nnc(-c3ccccc3)n2-c2ccccc2)C(C)=O)cc1 254825251 BJFHCJZPMQNTKC-UHFFFAOYSA-N 443.532 5.050 30 10 IKEE CC1(C)OB(c2ccc(COc3cc(F)c(Br)cc3Cl)cc2)OC1(C)C 306098618 OPFWTRFEBWMCBX-UHFFFAOYSA-N 441.533 5.120 30 10 IKEE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(Cl)cc2)c1 526523659 ZZQRVKCDVHPBGA-QHCPKHFHSA-N 446.890 5.286 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2cccc3ccccc23)[C@H]1c1cccc(Cl)c1 526611246 UCRWKQLAEUQJJT-RUZDIDTESA-N 436.898 6.422 30 10 IKEE Cc1cccc(CSc2nnc(C)n2/N=C\c2ccccc2COc2ccccc2)c1 526807929 KAADYXBUZGQKJN-QQXSKIMKSA-N 428.561 5.648 30 10 IKEE CCCCCOc1ccc(/C=N\n2c(C)nnc2SCc2cccc(C)c2)cc1OC 526808623 YHKVUWDIUHCOKY-XYGWBWBKSA-N 438.597 5.647 30 10 IKEE C[C@H](NC(=O)Nc1cccc(C(=O)Nc2scc(C(C)(C)C)c2C#N)c1)c1ccccc1 586638136 GIUSTEZENBKPHI-INIZCTEOSA-N 446.576 6.052 30 10 IKEE C[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 698346723 BLYAVJIXHRRBLA-MHECFPHRSA-N 429.561 5.105 30 10 IKEE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@H](C#N)c1ccc(Cl)c(Br)c1 698472082 PXVGKRPVFKVXJL-XJKSGUPXSA-N 429.742 5.083 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@](C)(C#N)[C@H]1CC2CCC1CC2 698491602 ZCYAUQGWIDNOEJ-ZFIVPINASA-N 433.390 6.299 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 698855565 ZYSBUVNANNJYLA-YADARESESA-N 447.551 5.639 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(C(=O)O)cc2)SC1=Nc1nc(-c2ccccc2)cs1 1772733393 BBJQKPLPMYIUGN-OTXCQBAASA-N 447.541 5.298 30 10 IKEE C=CCN(CC=C)C(=O)Oc1cccc2c(NC(=O)/C=C/c3cccc(F)c3)cccc12 1858952946 VMGIKCDKOQORTD-CCEZHUSRSA-N 430.479 5.804 30 10 IKEE CCc1nc2c(C)cccc2c(C(=O)Nc2c(C#N)cnn2-c2ccc3ccccc3n2)c1C 1859649319 KVDMMWLXYLVNCC-UHFFFAOYSA-N 446.514 5.272 30 10 IKEE Cc1cccc(C(C)C)c1NC(=O)COc1ccc(NC(=O)c2cccc(C#N)c2)cc1 1860159577 HIPHKULXTORKGQ-UHFFFAOYSA-N 427.504 5.260 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CCCCCO)c1 1862380071 SDKVQTWIDLQTBA-HXUWFJFHSA-N 448.346 5.043 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@H]2c2ccc(N(C)C)cc2)cc1 1862395226 PDBQFHRCEXKIFU-DEOSSOPVSA-N 434.580 5.474 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(C(C)C)cc1 1862464048 NKQIVTSAKMLNAG-JOCHJYFZSA-N 445.481 5.852 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862478232 BRMAKYXITBBLFF-DEOSSOPVSA-N 445.490 5.311 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc(OCC)c1 1862478481 IDRMBKSBASAGMK-RCZVLFRGSA-N 449.591 6.331 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCCc2ccccc2)cc1 1862486934 OENMQLIXZVISOF-AREMUKBSSA-N 439.555 5.823 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccc(Cl)cc2)c1 1862491426 SJXMOSAEWCSRJD-HSZRJFAPSA-N 449.909 5.874 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2cccc3ccccc23)c1 1862494945 ROYGEJGXCUIHLZ-MHZLTWQESA-N 447.534 6.235 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862505924 HJJOLNXJHNSISX-NRFANRHFSA-N 440.471 5.201 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2cccc(F)c2)cc1 1862530684 WBKVGIMCFVXHJU-RUZDIDTESA-N 443.518 5.783 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1862540291 KIUYCGHGTXWOPT-HXUWFJFHSA-N 442.899 5.045 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1c(Cl)cccc1Cl 1862562737 MRUSQUGFYUDCKR-LJQANCHMSA-N 433.335 5.344 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 1862580654 PIHIGLGKQPPXBB-JXFKEZNVSA-N 446.330 5.059 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(N(C)C)cc1 1862617191 VIARJWNQBOULSG-SBUREZEXSA-N 434.580 5.427 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccc1F 1862650086 NHHTTYBSRKOLSY-DEOSSOPVSA-N 431.507 6.138 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862665838 PQBFYSPZJAKEFL-JOCHJYFZSA-N 446.459 5.090 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862668430 YTWXTJGKMHRCOP-FQEVSTJZSA-N 432.347 6.105 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@H](C)c2ccccc2)c1 1862674487 YMLSZCHTIQKKPU-WAIKUNEKSA-N 431.463 5.174 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862706216 QMUOFFOPXYROHL-IBGZPJMESA-N 433.426 5.092 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(OCC)cc1 1862726751 NYKFZHHFMNRKPD-VWLOTQADSA-N 441.527 5.741 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccccc1C(=O)O 1862727048 VQDDZTBFMCBJMQ-HSZRJFAPSA-N 441.483 5.039 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccccc3Cl)C2=O)c1 1863068215 PGOAADRRFFZFGL-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CC(C)(C)c1nc(Nc2cccc(C#N)c2)cc(N2CCC[C@H]2Cc2ccc(Cl)cc2)n1 1868333742 RZTWAPNJOOJVBA-QFIPXVFZSA-N 445.998 6.254 30 10 IKEE CCCCCCCOc1cn(CCc2ccc(C)cc2)c(CN(CC)CCCC)cc1=O 1870412827 JWYAQMGKHZVFFC-UHFFFAOYSA-N 440.672 6.371 30 10 IKEE C=CCOc1cn(Cc2ccc(Cl)cc2)c(CNc2ccc(Cl)c(Cl)c2)cc1=O 1870811729 GFDKRODIWJFOBK-UHFFFAOYSA-N 449.765 6.034 30 10 IKEE CCCCCCCCn1cc(OCC2CCCCC2)c(=O)cc1CNc1ccc(C)cc1 1870912723 BTFVSWLNHZBMOY-UHFFFAOYSA-N 438.656 7.088 30 10 IKEE C=CCn1cc(OCc2c(C)cccc2C)c(=O)cc1CNc1ccc(N(CC)CC)cc1 1870920454 PLPPNMGUFCDPBB-UHFFFAOYSA-N 445.607 5.688 30 10 IKEE C#CCOc1cn(CCCCCCCC)c(CNc2cccc(Br)c2)cc1=O 1871006979 FFHBKGDVPMGKRK-UHFFFAOYSA-N 445.401 5.595 30 10 IKEE C=CCn1cc(OCc2c(F)cccc2Cl)c(=O)cc1CNc1cccc(N(C)C)c1 1871089318 FUQDDCIRTROXMZ-UHFFFAOYSA-N 441.934 5.084 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(N(C)C)cc1)C3=O)CN(CCC1=CCCCC1)CO2 1871354908 HKTKQEBAVFFMBT-MYYYXRDXSA-N 444.575 5.720 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OC(=O)c3cccc(OCC(C)C)c3)c2C)C1=O 1871381584 XAINYZOWJCQVFI-MYYYXRDXSA-N 442.511 6.174 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(CC)cc2)C3=O)cc1 1871387379 ROAZBNGOOZBAQL-JLPGSUDCSA-N 428.484 5.792 30 10 IKEE CCCCOC(=O)COc1ccc2c(c1C)O/C(=C\c1cn(CC)c3ccccc13)C2=O 1871400056 DOMYQJFSRAOXAQ-UCQKPKSFSA-N 433.504 5.308 30 10 IKEE Cc1ccc(OCCCOc2ccc3c(c2C)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871405234 GYAGVOQIBVOOQP-JLPGSUDCSA-N 434.919 6.421 30 10 IKEE CCCC[C@H](Oc1cc(C)c2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O)C(=O)O 1871423557 VBWLAWZAYJRUDL-BEWREHSGSA-N 435.303 5.940 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1ccc(F)cc1 1872079875 VISNPNFIOFJLPH-QHCPKHFHSA-N 446.588 5.008 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cccc(Cl)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872246770 LSRATQYJSBMLDJ-AVRDEDQJSA-N 449.016 5.269 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccccc1C(C)C)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1872461423 KUKDGXTWUQRECN-CVDCTZTESA-N 428.598 5.040 30 10 IKEE COc1ccc(/C=C(/C(=O)[C@H](C#N)c2nc(C(C)C)cs2)c2ccccc2)cc1OC 1872773922 BIGQDWXDIDAJMF-RQRMZWKBSA-N 432.545 5.701 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4nc(C)c(C)nc4c3)n2)c(C)c1C 1872777987 ARRHIZVQWSKIJR-IBGZPJMESA-N 442.544 5.486 30 10 IKEE Cc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 1872779922 URTQCQRVAAZKQJ-VLSFKVKESA-N 436.536 6.801 30 10 IKEE COC(=O)c1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1 1872780442 ILWXJZJLFCIAKR-OGECGYFKSA-N 444.556 5.720 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2cc(F)cc(F)c2)C1=O 1873318699 YOIJCBAGKIFEQV-UHFFFAOYSA-N 437.490 5.389 30 10 IKEE CCCCCCCCNc1ncnc2c1ccc(=O)n2-c1ccc(N2CCCCC2)cc1 1873539785 AMFRRLNBOQSTFU-UHFFFAOYSA-N 433.600 5.543 30 10 IKEE C=CCn1c(C(=O)Nc2cc(C)cc(C)c2)cc2c(NCCC3=CCCCC3)ncnc21 1873639135 HWXDXLCJHNNJSQ-UHFFFAOYSA-N 429.568 5.789 30 10 IKEE C=CCSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1ccc(OC)cc1 1874206529 GXDNMUZWVYVGQL-FSJBWODESA-N 449.363 5.333 30 10 IKEE CCCOc1ccc(/C=N/n2c(CCc3cccc4ccccc34)nnc2SCC)cc1 1874232363 UYNMNSVVSLFEBW-ZXVVBBHZSA-N 444.604 6.000 30 10 IKEE Cc1ccc(OCCCc2nnc(SCc3ccccc3)n2/N=C/c2ccccn2)cc1 1874252291 KFXPSPKNIWOLME-OVVQPSECSA-N 443.576 5.168 30 10 IKEE CCCCC1CCC(c2nnc(SCC(N)=O)n2/N=C/c2cccc3ccccc23)CC1 1874285355 WRIUXJLTMHHOPY-JVWAILMASA-N 449.624 5.355 30 10 IKEE CCCOc1ccc(/C=N/n2c(CCc3ccccc3OC)nnc2SCCC)cc1 1874313619 DIVQCSRIOZYMNE-XIEYBQDHSA-N 438.597 5.245 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2)n1/N=C/c1ccc(C(C)C)cc1 1874315758 JJDNZQZNWPAHBV-YZSQISJMSA-N 434.609 5.964 30 10 IKEE Cc1ccccc1/C=N/n1c(CCOc2ccccc2)nnc1SCc1ccccc1 1874346435 ONVKSWURUKSXSS-NLRVBDNBSA-N 428.561 5.383 30 10 IKEE CCCSc1nnc(Cc2ccc(OC)cc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874352197 WORODTNCPLVZBH-AFUMVMLFSA-N 434.487 5.281 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2ccccc2)cc1C 1874358688 UWRBSIJAWHQRPJ-ZXVVBBHZSA-N 426.589 5.703 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1cccc(OC)c1OC 1874358722 WPUMXQFZGJHCGY-AFUMVMLFSA-N 436.581 5.053 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2C)n1/N=C/c1ccc(F)cc1 1874361190 NJYPGORNMXLHPE-OGLMXYFKSA-N 444.579 5.994 30 10 IKEE Cc1ccc(CSc2nnc(CCc3cccs3)n2/N=C/c2cc(C)ccc2O)cc1 1874369113 KVPFXQFCUQHPJH-MFKUBSTISA-N 448.617 5.622 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3F)n2/N=C/c2ccccc2C)cc1 1874389140 ICEQBDRDLPAWRV-JVWAILMASA-N 430.552 5.799 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2-c2cccs2)cc1O 1874421216 AJRHEFWXNMKPPB-FSJBWODESA-N 440.525 5.034 30 10 IKEE CN(C)c1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2-c2ccccc2)cc1 1874426957 JTLZWBGZJNRLFP-WGOQTCKBSA-N 431.540 5.325 30 10 IKEE COc1cc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2-c2ccccc2)ccc1O 1874428675 WENVLJDTMZWASO-CVKSISIWSA-N 444.560 5.451 30 10 IKEE Clc1ccccc1/C=N/n1c(SCc2ccccc2Cl)nnc1[C@@H]1CCCO1 1874445914 OCXYUCGORICALC-KCDOPAPYSA-N 433.364 5.611 30 10 IKEE COc1cc(/C=N/n2c(SC)nnc2C2CCCC2)ccc1OCCc1ccccc1 1874451701 MBPSAJUDZVMGRZ-KOEQRZSOSA-N 436.581 5.170 30 10 IKEE COc1ccc(OC)c(/C=N/n2c(SCc3cccc(F)c3)nnc2C2CCCC2)c1 1874454109 AVAUOPRLUKJYJK-AFUMVMLFSA-N 440.544 5.267 30 10 IKEE C=C(C)CSc1nnc(CCCC)n1/N=C/c1ccc(N(CC)Cc2ccccc2)cc1 1874476351 MAEMMQHGDHFPBE-OVVQPSECSA-N 447.652 6.198 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874488006 VLZXGIICNTUTRQ-BHGWPJFGSA-N 437.371 6.097 30 10 IKEE CCCOc1cccc(/C=N/n2c(CC(C)C)nnc2SCc2ccc(Cl)cc2)c1 1874491139 BAYFXWANDGTTOB-MFKUBSTISA-N 443.016 6.093 30 10 IKEE COc1cc(/C=N/n2c(SCc3ccccc3F)nnc2C(C)C)cc(Cl)c1O 1874513574 FXEDRPPSRVTSPI-AUEPDCJTSA-N 434.924 5.083 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2)cc1 1874572450 NXORUXJOKPBXJI-ACCUITESSA-N 433.935 6.124 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccc(C)c(C)c2)cc1 1874577998 PZIAGPSVAATKSA-FOWTUZBSSA-N 429.516 5.616 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(Br)ccc1OCc1ccccc1 1874581341 IUSJDAXVAKRRLI-PKNBQFBNSA-N 437.333 6.241 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1 1874583583 VJJLEQWUZOCZIS-WYMLVPIESA-N 425.355 7.592 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2cccc(OCc3ccc(F)cc3)c2)cc1 1874597911 KRKMAUBHONZMLL-XDHOZWIPSA-N 446.562 7.650 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(OC)c1OCc1ccccc1F 1874609107 YFTXTVDLVULLHF-VAWYXSNFSA-N 426.871 5.971 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1)NC1CCCCC1 1874615511 BPUDVJDMVGPLSI-MDWZMJQESA-N 432.347 5.717 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OCc3ccccc3C)c([N+](=O)[O-])c2)c1 1874619080 IRXOLYVGXSYJST-DHZHZOJOSA-N 433.460 5.396 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OCc3c(F)cccc3Cl)cc2)c1 1874619161 MNCMJHPUEMRSTH-XYOKQWHBSA-N 426.871 5.971 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OCc1ccc(F)cc1 1874621971 FJRFMUQVJGULOU-OVCLIPMQSA-N 448.534 6.616 30 10 IKEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1Cl 1874635241 INZUGRBIGRTXDW-DHZHZOJOSA-N 427.972 5.747 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc(Br)c1OCC 1874635819 WBXSQJWHKISQEM-ZRDIBKRKSA-N 445.397 6.749 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc([N+](=O)[O-])cc1 1874698005 GTJMXXILXYGJPC-NYYWCZLTSA-N 442.254 6.017 30 10 IKEE CCCCC(=O)Oc1cc(/C=C/C(=O)c2ccccc2OC)c(Br)cc1OC 1874698735 LQFYYNMDXKPNGG-VAWYXSNFSA-N 447.325 5.458 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cccc(OC(=O)Cc2ccccc2F)c1 1874715360 PTISTUMNAUUGFB-ZHACJKMWSA-N 438.882 5.840 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(F)c(F)c2)CSc2nnc(C(C)C)n21 1874851819 DQGLNCBXJMUYQX-IBGZPJMESA-N 436.572 5.742 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc(F)c2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 1875088566 UXTSDVRLSVMTTF-VQHVLOKHSA-N 425.799 5.503 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cc(C)ccc3C)c(Cl)c2)cc1 1875129702 PDSIDOQINMYZQY-NTUHNPAUSA-N 448.946 6.400 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)Cc1ccccc1F 1875131701 KKQJWCFNSHTMAX-ZRDIBKRKSA-N 448.490 5.504 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)CC1CCCCC1 1875132210 KREDZFFBJBIVPB-YRNVUSSQSA-N 447.358 6.774 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2[N+](=O)[O-])cc1 1875134993 UIMKENKCUYVJNW-KPKJPENVSA-N 445.471 5.264 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccn2)c(Br)c1)c1ccc(F)c(F)c1 1875162725 RRXQIFKUXYBOEK-XBXARRHUSA-N 444.231 5.238 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)cc(OC)c1OC(=O)C1CCC1 1875186283 NGHOITHGWLRNET-PKNBQFBNSA-N 440.923 5.687 30 10 IKEE COC(=O)Cc1cc(N=[N+]=[N-])cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c1C 1887521470 RATFCRSEMAYWKU-UHFFFAOYSA-N 442.475 6.013 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)CCc3c(Cl)cccc3Cl)ccc21 1890677910 UBYPNODEDDJWEQ-UHFFFAOYSA-N 447.362 5.502 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cc(C)nc4c(C)cccc34)cc21 1890733160 KBPUBMMGDGOQSI-UHFFFAOYSA-N 429.520 5.042 30 10 IKEE CC1=C(B2OC(C)(C)C(C)(C)O2)CCN(C(=O)c2cccc(OCc3ccccc3)c2)C1 1892830859 XGIQEHYTSLZDOO-UHFFFAOYSA-N 433.357 5.059 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](CC(C)(F)F)NC(=O)OC(C)(C)C 1924653323 MHCAQWMJIDFDDC-VQTJNVASSA-N 426.548 5.066 30 10 IKEE CC(C)[C@H](NC(=O)OC(C)(C)C)[C@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 1941060593 CPGNEVSXOLBMSK-CYFREDJKSA-N 437.625 5.778 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCC(C#N)(N(C(=O)OC(C)(C)C)C3CCC3)CC2)C1 1950145844 XSKWTIBMMKMYFR-UHFFFAOYSA-N 433.593 5.240 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@]1(C#N)CCN(Cc2ccccc2)C2(CC2)C1 1953247540 WBIHVIXDYOXGGV-HHHXNRCGSA-N 431.580 5.515 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@@](C)(C#N)c1ccc(CNC(=O)OC(C)(C)C)cc1 2014212872 BFANCDCXMKHZNF-DEOSSOPVSA-N 431.577 5.343 30 10 IKEE Oc1ccc(C=NCc2cccc(C(F)(F)F)c2)c(O)c1Cc1c(F)cccc1Cl 2040736784 XAZGXXRVQBIAOM-UHFFFAOYSA-N 437.820 6.119 30 10 IKEE CC[C@@H](C)N(Cc1ccccc1)c1ncc(C(F)(F)F)cc1B1OC(C)(C)C(C)(C)O1 2052608263 HEERLIQWIVKRRS-MRXNPFEDSA-N 434.311 5.205 30 10 IKEE CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2C=CC(=O)c2cccs2)cc1 2053614243 IFTXIOHUBCQHFX-UHFFFAOYSA-N 428.557 6.532 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NC)c2ccc(Cl)c(Br)c2F)C1 2077079887 LZBYQLHYIDGRAJ-OAHLLOKOSA-N 433.749 5.116 30 10 IKEE Cc1ccc([C@H](C2CCC2)n2nc(C(C)C)c(C#N)c2I)cc1C 2079089457 DMEYBVXOHBWSKS-IBGZPJMESA-N 433.337 5.489 30 10 IKEE COc1ccc([C@@H](C2CCC2)n2nc(C(F)(F)F)c(C#N)c2Br)c(C)c1 2079927229 NNPLMIYMBIFCCK-OAHLLOKOSA-N 428.252 5.243 30 10 IKEE Fc1cccc(C(F)(F)F)c1-c1c(C(F)(F)F)nn([C@H]2CCOC2)c1Br 2080761590 LHHZKQQJJGBBMH-ZETCQYMHSA-N 447.148 5.451 30 10 IKEE N#Cc1c(C2CCCC2)nn2c(Cl)cc(-c3ccc(I)cc3)nc12 2081180194 DCDLKRYWIGDPQD-UHFFFAOYSA-N 448.695 5.184 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(Cc3ccccc3)C3(CCC3)C2)c1 2099247117 KIPGQYJVVDGALJ-HHHXNRCGSA-N 447.579 5.528 30 10 IKEE CC(C)(C)OC(=O)NCC1(Nc2cc(Br)c(C#N)cc2F)CCCCC1 2106104290 QDRXLBVTPMELNL-UHFFFAOYSA-N 426.330 5.099 30 10 IKEE CC(C)(C)OC(=O)NCc1ccc(Nc2cc(Br)cc(F)c2C#N)cc1F 2163688754 WAPQJTAMGYMPKA-UHFFFAOYSA-N 438.272 5.367 30 10 IKEE Cc1sc([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)c(C)c1Br 2226508184 WNDCAGDZOVJJPN-MRXNPFEDSA-N 441.435 6.652 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Cl)c(Cl)c(Cl)c1 2232520713 QFCJOSFMZVWTOL-AEFFLSMTSA-N 433.807 5.994 30 10 IKEE CC#CCCC[C@@H](NCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237399116 PZGNCYZKLJFOSK-UXHICEINSA-N 437.422 5.057 30 10 IKEE CCCCC#CC[C@H](NC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237413807 MCMQKCNGEGBIHM-VQTJNVASSA-N 437.422 5.057 30 10 IKEE Cc1ccc(Cl)c([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)c1 2268101330 KPIJEZSHCHAOTG-SFHVURJKSA-N 435.749 6.417 30 10 IKEE C[C@H](CC(=O)C#Cc1ccc(Br)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2296228296 XPBCAZZVYIUTMA-SJLPKXTDSA-N 434.374 5.043 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3ccccc3c2O)cc1Cn1nnc2ccccc21 2296667021 INXGWDZFNZKCLO-UHFFFAOYSA-N 435.483 5.243 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1cccc(Br)c1)C2=O)c1cccs1 2296867497 SYTLBLXMSPZHGW-UHFFFAOYSA-N 427.275 5.346 30 10 IKEE COc1ccc2c(c1)C1=NN(C(C)=CC(C)=O)[C@H](c3ccc(Br)cc3)[C@@H]1CC2 2297320963 WORYLAZEPKLIAL-NFBKMPQASA-N 439.353 5.274 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=Nc1ccc(C)cc1 2314487405 IIJNHWJSIVJACK-UHFFFAOYSA-N 445.500 5.953 30 10 IKEE COc1ccc(C(C)=C2SC(=Nc3cccnc3Cl)N(C3CCCCC3)C2=O)cc1 2314540211 LLSDHUIQYLUZRT-UHFFFAOYSA-N 441.984 6.070 30 10 IKEE CSc1nncn1N=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2321202290 KFSIEDBTXNOUNX-UHFFFAOYSA-N 430.533 5.040 30 10 IKEE COc1cc(C=NNc2ccc(Cl)c(Cl)c2)ccc1OCc1cccc(Cl)c1 2321718205 ZWICBQHQSSWFBS-UHFFFAOYSA-N 435.738 6.680 30 10 IKEE Cc1ccc(COc2ccc3c(c2C)OC(=Cc2cc(Cl)cc4c2OCOC4)C3=O)cc1 2321745734 SJWCIUNWGIPAPC-UHFFFAOYSA-N 448.902 6.019 30 10 IKEE O=C1C(=Cc2cccc(F)c2)Oc2cc(OCc3cc(Cl)cc4c3OCOC4)ccc21 2321876596 PSNVUPGSAGEUCE-UHFFFAOYSA-N 438.838 5.541 30 10 IKEE COc1ccc([C@@H](C)N2COc3ccc4c(c3C2)OC(=Cc2cccc(OC)c2)C4=O)cc1 2322238815 VEOUQCQVXQLKBU-QGZVFWFLSA-N 443.499 5.233 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 2322399226 QFIDBJLKRYQMST-UHFFFAOYSA-N 449.934 7.066 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccccc1F)C3=O)CN(Cc1cccc(Cl)c1)CO2 2322424141 SFAWHISYELHSBU-UHFFFAOYSA-N 435.882 5.756 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc(OC(=O)c3cccc(OC)c3)c2C)C1=O 2322724495 HKAXTXIEXKFRMT-UHFFFAOYSA-N 430.456 5.238 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OC(=O)c3cccc(OC)c3)cc(C)c2C1=O 2322724635 XQLHBCGPNJYBOI-UHFFFAOYSA-N 430.456 5.238 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCC(=O)OCC(C)C)ccc3ccccc23)c(OC)c1 2322904268 YMFRLUHMMXOOSV-UHFFFAOYSA-N 448.515 5.331 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OC(=O)c3cccc(Cl)c3)cc(C)c2C1=O 2322916011 STFHELXTKFIJIF-UHFFFAOYSA-N 434.875 5.883 30 10 IKEE CCCOC(=O)COc1c(C=CC(=O)c2c(C)cc(C)cc2C)cc(Cl)cc1OC 2322948723 GMGZEWGDXLCZNP-UHFFFAOYSA-N 430.928 5.502 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3ccccc3F)c2)c(C)c1C 2323248405 NEXGJHQGFYCIER-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OCC(=O)Nc2ccc(F)cc2)c1 2323303873 WIGXARPTFISHIP-UHFFFAOYSA-N 445.534 6.345 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OCC(=O)Nc3ccc(C)cc3C)c2)cc1C 2323317835 DTYMHPMBJPLPRV-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(Cl)c1OCCc1ccccc1 2323602195 MEQQVRLJOSFYAQ-UHFFFAOYSA-N 427.327 6.520 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)cc(Cl)c1OCc1cccc(C)c1 2323702443 DQHXZRKSGKKECM-UHFFFAOYSA-N 436.935 6.531 30 10 IKEE CCCCCCCCN1C(=O)C(=Cc2ccc(F)c(Br)c2)SC1=S 2323720245 BBGMVLNBQZBYMX-UHFFFAOYSA-N 430.408 6.150 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1cc(C)ccc1C 2323895946 RRVXQWMNTKSEHW-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE CCOc1ccccc1C=C1Oc2c(CN3CCc4ccccc4C3)c(O)cc(C)c2C1=O 2324115765 XHJWTVBCNZZLHA-UHFFFAOYSA-N 441.527 5.274 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 2324194994 NLBFYDDFXZHFEA-UHFFFAOYSA-N 433.479 5.446 30 10 IKEE Cc1ccccc1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)OC(=Cc1cccc(F)c1)C2=O 2324407205 NMWKNWFKLJLFBF-KRWDZBQOSA-N 431.463 5.465 30 10 IKEE Cc1ccccc1C=C1Oc2cc(O[C@@H](C)C(=O)Nc3cccc(C)c3C)cc(C)c2C1=O 2324505673 SFQGAZINLNEDKM-FQEVSTJZSA-N 441.527 5.942 30 10 IKEE Cc1ccc(OCCCOc2cc(C)c3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1 2324545828 ORDQEGRKAUIARZ-UHFFFAOYSA-N 442.555 6.891 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc(F)cc1)C2=O 2325005234 OECRMSAUPRFJGO-UHFFFAOYSA-N 445.490 5.639 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccc(F)c(F)c4)c3C)C2=O)cc1 2325528857 XJCPRPGSDBTTTG-UHFFFAOYSA-N 449.453 5.469 30 10 IKEE CCCOc1ccc(C=Nn2cnnc2SCc2cccc(Cl)c2)cc1OCC 2325669096 YSZDYBLZDLIYEC-UHFFFAOYSA-N 430.961 5.294 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccc(C)cc4)c3C)C2=O)cc1 2325715815 SOQFDJAFJQUIOF-UHFFFAOYSA-N 427.500 5.500 30 10 IKEE Cc1cc(OCCCC(=O)Oc2cccc(C=CC(=O)c3ccccc3)c2)cc(C)c1Cl 2325732797 WNLFURZUECMPQZ-UHFFFAOYSA-N 448.946 6.618 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2cc(C=CC(=O)c3ccc(C)cc3)ccc2OC)c1 2325737460 CBOFHGDWOPNANV-UHFFFAOYSA-N 446.499 5.065 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3cc(C)ccc3OC)c2)cc1OC 2325743281 ZVBLLYLCUAYLAB-UHFFFAOYSA-N 446.499 5.065 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2cccc(OC(=O)COc3ccc(Cl)cc3)c2)cc1 2325746363 KSDINNUHCMIMOL-UHFFFAOYSA-N 448.946 6.518 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(C(C)C)cc3)c2)c(OC)c1 2325750562 ARSYTXXKEUYFJS-UHFFFAOYSA-N 444.527 5.871 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1cccc(C)c1 2325909000 DSVSOUJGRPBYCL-UHFFFAOYSA-N 447.391 6.023 30 10 IKEE CCCSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1ccc(CC)cc1 2325913697 BGUWRMJNCNUMND-UHFFFAOYSA-N 449.407 6.111 30 10 IKEE CCOc1ccccc1C=Nn1c(CC)nnc1SCc1c(Cl)cccc1Cl 2326519879 RSVIAZFCXNCKJH-UHFFFAOYSA-N 435.380 5.721 30 10 IKEE Clc1ccccc1CSc1nncn1N=Cc1ccccc1COc1ccccc1 2326532829 RFIKDCYADQYFRM-UHFFFAOYSA-N 434.952 5.685 30 10 IKEE Cc1cccc(OCCCc2nnc(SCc3ccccc3C)n2N=Cc2ccco2)c1 2326966965 KNDSVRHZNYUOQJ-UHFFFAOYSA-N 446.576 5.674 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1ccccc1Cl 2327363673 VTGOBRGXWGNIES-UHFFFAOYSA-N 441.000 6.013 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(CCc2ccc(Cl)cc2)nnc1SC 2328003386 YLZCNBAEIDGRLG-UHFFFAOYSA-N 436.968 5.483 30 10 IKEE CN(C)c1ccc(C=Nn2c(CC3CCCCC3)nnc2SCCc2ccccc2)cc1 2330275695 BGASNYBNKDUACF-UHFFFAOYSA-N 447.652 5.684 30 10 IKEE C(=Nn1c(Cc2cccs2)nnc1SCc1cccc2ccccc12)c1cccs1 2330422170 BSHMBCBONALCKF-UHFFFAOYSA-N 446.626 6.320 30 10 IKEE COc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2-c2cccs2)cc1 2330601981 AYYAGIXRUPZRBZ-UHFFFAOYSA-N 440.981 5.843 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)cc1 2330624138 WISRQMUVUMTKEI-UHFFFAOYSA-N 435.863 5.601 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OC(=O)CCCSC 2330672296 ZMZBCZFWBZEQSP-UHFFFAOYSA-N 434.557 6.183 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(Cl)c1OC(=O)CC(C)C 2330676836 YJCKOXCGKDATFB-UHFFFAOYSA-N 426.940 6.075 30 10 IKEE Cc1ccccc1CSc1nnc(CC(C)(C)C)n1N=Cc1c(Cl)cccc1Cl 2330808818 RPYRHFPCOCVYPF-UHFFFAOYSA-N 447.435 6.656 30 10 IKEE O=C(CSc1nnc(C2CCCC2)n1N=Cc1ccccc1Cl)Nc1ccccc1 2331019726 PUAIWMFDUDVMSJ-UHFFFAOYSA-N 439.972 5.202 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2C2CCCC2)cc1 2331029092 AGKICWGQXFSJTQ-UHFFFAOYSA-N 447.652 6.265 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(C2CCCC2)n1N=Cc1ccccc1 2331030768 OXQMFAMOTVJCNY-UHFFFAOYSA-N 433.581 5.111 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1 2331116124 NTPYJUKWHOSEJQ-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2-c2ccco2)c1 2331208466 PLLKZSNPBKFHCM-UHFFFAOYSA-N 446.576 6.118 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)c1ccccc1C 2331218617 PYGOSWHLVBXAPA-UHFFFAOYSA-N 430.500 5.744 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)Cc1ccccc1F 2331256144 WLBXCBAVFDDANF-UHFFFAOYSA-N 438.882 5.840 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)c3c(F)cccc3Cl)c(Cl)c2)ccc1F 2331336087 MDPYHBHKMXKQAI-UHFFFAOYSA-N 447.264 6.695 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccccc3C)cc2)cc1C(C)C 2331571786 OZWUDQNCNCOECI-UHFFFAOYSA-N 428.528 6.551 30 10 IKEE Cc1cncc(C(=O)Oc2ccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)cc2Cl)c1 2331646743 BUVZLWKGJAHHBH-UHFFFAOYSA-N 433.935 6.392 30 10 IKEE COCC(=O)Oc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1Br 2331646966 MHSPAXPUOYXDCA-UHFFFAOYSA-N 431.326 5.131 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc4ccccc4n3C)c(Cl)c2)cc1C 2331706145 ASNVRLNJRSOAEF-UHFFFAOYSA-N 443.930 6.564 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3ccco3)c(OC)c2)c(OC)c1 2331716270 IJQNTYCDKQRGIX-UHFFFAOYSA-N 442.851 5.074 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)Cc2ccc(F)c(C)c2)cc1 2331872747 SCMUHGMEUVRIKS-UHFFFAOYSA-N 438.882 5.840 30 10 IKEE N#C[C@@H](CSc1cc(I)ccc1Br)c1ccccc1 2338404156 OUOKHDJLAOFJTL-LBPRGKRZSA-N 444.135 5.453 30 10 IKEE CC(C)(C)C#CC=CCOCc1ccc(I)c(Br)c1 2350063008 YJDBLTLJHXYNIM-UHFFFAOYSA-N 433.127 5.176 30 10 IKEE Cc1ccc(SCCCC(=O)Nc2sc3c(c2C#N)CC(C)(C)NC3(C)C)cc1 9473905 JXHACYHUNIHUEQ-UHFFFAOYSA-N 427.639 5.599 30 10 IKEE Cc1cc(/C=C2/CC/C(=C/c3cc(C)n(-c4ccccc4)c3C)C2=O)c(C)n1-c1ccccc1 33247604 RPBOEZYGGFKWQO-DQIQZUARSA-N 446.594 7.332 30 10 IKEE C=CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)SC1=S 33590378 UMAFKJYNSARIOH-STZFKDTASA-N 443.553 5.673 30 10 IKEE CCOc1ccccc1/C=C\C(=O)c1ccc(OC(=O)c2c(OC)cccc2OC)cc1 34954334 PYAQCORYDKVTBV-VKAVYKQESA-N 432.472 5.218 30 10 IKEE C/C(=C1/S/C(=N/c2cccnc2Cl)N(C2CCCCC2)C1=O)c1ccc(Cl)cc1 39864168 BVWOJQCKHTYBSP-DNSQYUDISA-N 446.403 6.715 30 10 IKEE C=CCc1ccc(OCCCn2c([C@H](C)NC(=O)C(C)(C)C)nc3ccccc32)c(OC)c1 40190065 LFCLGXZHHXZRJD-IBGZPJMESA-N 449.595 5.466 30 10 IKEE C=C(C)COc1ccc(NC(=O)CNc2cccc(C(=O)N(CC)c3ccccc3)c2)cc1 66090803 KRIVRKJAGKQVTC-UHFFFAOYSA-N 443.547 5.359 30 10 IKEE C=CCn1c(SCc2cccc(C(=O)NCc3ccc(F)cc3)c2)nnc1-c1ccco1 96292061 ZGTPQSOQWKIYIP-UHFFFAOYSA-N 448.523 5.086 30 10 IKEE C/C(=N\OCc1cccc(C)c1)c1cc(-c2ccc(F)cc2)n(-c2cccc(Cl)c2)c1C 97629483 WSMKQFMANYJLSX-NDZAJKAJSA-N 446.953 7.494 30 10 IKEE CCCCCCCOc1cccc(NC(=O)CNc2ccc(NC(=O)CCC)cc2)c1 100101655 QPFNUZHRAKYUFY-UHFFFAOYSA-N 425.573 5.825 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1ccc(NC(=O)CC)cc1 100444171 SNMVVCDWKDVDSH-UHFFFAOYSA-N 433.662 6.549 30 10 IKEE COc1ccc(C(=O)Oc2ccc(Cl)cc2C(=O)/C=C\c2ccc(F)cc2)cc1OC 102933784 DZTWEIHZRTZXPD-YHYXMXQVSA-N 440.854 5.612 30 10 IKEE CCCCCCCCNCc1cc(Br)cc(Br)c1OCCC 104466455 PHLQHGSUICELIE-UHFFFAOYSA-N 435.244 6.451 30 10 IKEE N#Cc1c(Cl)cccc1Oc1c(Br)cc([N+](=O)[O-])cc1Br 110262964 JUTUKTHDPXDRKI-UHFFFAOYSA-N 432.455 5.437 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(C(=O)/C=C\c3ccco3)=C(O)C(=O)N2Cc2cccnc2)cc1 111832508 SAIUOPRLZBQBLZ-UMHMGIAYSA-N 442.515 5.150 30 10 IKEE CCOc1cc(/C=N/Nc2ccc(OC)c(Cl)c2)ccc1OCc1ccccc1F 169877133 PQVYCXAUWMOFLU-VULFUBBASA-N 428.891 5.911 30 10 IKEE CCCN1C(=S)N[C@H](c2cccc(OC)c2OCc2cccc(C)c2)C(C(C)=O)=C1C 169930334 VPENTTNYKRAGGJ-HSZRJFAPSA-N 438.593 5.087 30 10 IKEE CCCOc1c(Cl)cc(/C=N\Nc2nc(-c3cccc(OC)c3)cs2)cc1Cl 169941884 UJSYXIKUVVBNGK-KSEXSDGBSA-N 436.364 6.360 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@@H]1c1ccccn1 169994670 MEHASUYBFQZCNZ-QHCPKHFHSA-N 432.907 5.145 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 170059797 BMGRYWRDSVRYJQ-FQEVSTJZSA-N 430.331 5.904 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(N(C)C)cc1 170129532 VKVUHLGKIJLFOL-RUZDIDTESA-N 446.591 5.400 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@@H]1c1ccc(OCC)cc1 170213788 QJBQXEDCNURXPZ-QHCPKHFHSA-N 437.536 5.089 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2ccccc2)c1C 170225986 LJJTWSMVGDCKAF-XMMPIXPASA-N 425.484 5.021 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2ccccc2)cc1C 170229251 PXPZTFRXHSZPMG-QFIPXVFZSA-N 435.426 5.065 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2F)c1 170248098 URWOVAIMDLRLDU-HSZRJFAPSA-N 449.453 5.537 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)(C)C)c2)[C@H]1c1cccc(O)c1 170263012 VCSOGBNDEOAHRG-JOCHJYFZSA-N 437.536 5.077 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1cn(C)c2ccccc12 170269665 IHDATOLHWKGFNE-DEOSSOPVSA-N 446.547 5.262 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1ccco1)c1ccc(Cl)c(Cl)c1 170283668 FMCBGZCVSQODMM-GOSISDBHSA-N 430.243 5.075 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)[C@@H]2c2ccco2)cc1C 170285115 VJFZOJGKTYRPRR-QFIPXVFZSA-N 447.874 6.079 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccco2)cc1Cl 170288335 IUTZLWGJJKFPAH-IBGZPJMESA-N 428.271 5.678 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccc(C)o2)c1 170304401 QILBOTPBVRUJTQ-HSZRJFAPSA-N 447.487 5.172 30 10 IKEE COc1ccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cccc(Cl)c2C)cc1OC 170434262 RLQWKMBRXVKVBC-HXUWFJFHSA-N 443.927 5.181 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2 226633904 LRNLPYJTMKBGSD-OTNCWRBYSA-N 440.425 7.625 30 10 IKEE Clc1ccc2nc(-c3ccco3)c(N=Cc3ccc(I)cc3)n2c1 252622735 OBOPCDCUKFZRLP-UHFFFAOYSA-N 447.663 5.603 30 10 IKEE CCN1/C(=C2\SC(=Nc3ccccc3)N(C3CCCCC3)C2=O)Sc2ccccc21 254446889 OKJDGXVIQVUENO-CSFSZXLXSA-N 435.618 6.384 30 10 IKEE C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 299872612 MQYXUWHLBZFQQO-YYJMKJPMSA-N 426.729 8.025 30 10 IKEE in-vitro C[C@H](Nc1cc(Br)ccc1I)c1cccc(C#N)c1 311711827 KBOUDZBGOGHVDN-JTQLQIEISA-N 427.083 5.098 30 10 IKEE C=CCN(C[C@@H](NCCC)c1ccc(Br)c(Cl)c1F)C(=O)OC(C)(C)C 407235047 IBYNJISDHGNZFT-OAHLLOKOSA-N 449.792 5.705 30 10 IKEE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccccc2C#N)[C@@H]1c1ccc(C)cc1 526610245 XIHTYRNYBCIHTK-XMMPIXPASA-N 440.499 5.331 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccc(OC(C)C)cc1 526816333 CKUJKFYGVIQBMH-MYYYXRDXSA-N 443.016 6.236 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCc2ncccc2C1 710751535 HQMQQOKAAOITGH-OAQYLSRUSA-N 428.330 5.037 30 10 IKEE C=CCC[C@H]1CCCN1C(=O)CSCc1nc(O)c2c(-c3ccccc3)csc2n1 1602981619 SHCNDNQXBTWJTH-KRWDZBQOSA-N 439.606 5.254 30 10 IKEE CC[C@@H](Oc1ccccc1/C=C1/S/C(=N/c2ccc(C)cc2O)N(CC)C1=O)C(C)=O 1614236217 BTMPEGZVTWFTBJ-IAWVFZSWSA-N 438.549 5.071 30 10 IKEE Cn1cc(/C=C2/C[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]3(C)C2=O)c(-c2ccccc2)n1 1614437868 ZWJGCLYWSNNVLL-UOVMWRPPSA-N 438.571 5.911 30 10 IKEE C=CCN1C(=O)/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)SC1=Nc1ccc(C)cc1 1772725063 QHELXCCGLNXORA-HNYZTYFESA-N 444.516 5.484 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=Nc1cccnc1 1772732563 XOVSJKAMUBUWFN-FZOVEGBXSA-N 440.868 5.137 30 10 IKEE O=C1/C(=C/c2ccccc2F)SC(=NN=C/C=C\c2ccccc2)N1Cc1ccco1 1772759029 KABWHWKATCWJBJ-GKVUKGRHSA-N 431.492 5.590 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(OCCCC)c(OC)c2)SC1=Nc1ccc(O)cc1 1772763884 ZAQQVZJBGWMNDG-KGXUUABDSA-N 438.549 5.370 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)c2ccc(F)cc2)c(=O)cc1C(=O)O 1857891210 QMBVAVNKFJJMNO-UHFFFAOYSA-N 431.504 5.088 30 10 IKEE N#Cc1ccccc1NC(=O)Oc1cccc2c(NC(=O)c3cc(F)ccc3F)cccc12 1858778796 AEWIIMDLBRTMQH-UHFFFAOYSA-N 443.409 5.853 30 10 IKEE CCCCCCCCNC(=O)[C@H](CC(C)C)NC(=O)Cc1cc(Cl)ccc1SC 1860976638 PMGRWDUOVSXEDT-FQEVSTJZSA-N 441.081 5.612 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC(C)C)NC(=O)c1c(C)ccc2ccccc12 1860989871 BXSYNORQTQKRCD-VWLOTQADSA-N 438.656 6.550 30 10 IKEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)c1ccc(Br)cc1 1861337524 HVGZTSYHTMRRKW-UHFFFAOYSA-N 425.411 5.214 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(OC)cc1 1862385657 UZEJQBSVMYNNLN-HXUWFJFHSA-N 448.346 5.771 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2ccc(OC)c(O)c2)cc1 1862395883 APBLDBBGQGOKFQ-WAIKUNEKSA-N 437.536 5.120 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccccc1F 1862411763 OJTSANJEYHILFN-ZHRRBRCNSA-N 445.481 6.041 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(Cl)c(Cl)c1 1862467005 FWPBYZYCCDSYBK-QGZVFWFLSA-N 444.236 5.399 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@H]1c1ccccc1F 1862515005 OFMZSFIOLMZSBH-HSZRJFAPSA-N 439.527 5.773 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc(F)c2)cc1 1862517255 JBGRLDFXCLXBQT-QHCPKHFHSA-N 437.511 5.526 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(F)cc1 1862524714 LNJSERGWUCKZQE-IBGZPJMESA-N 446.316 5.213 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 1862534775 VICXLVSKYVHHMQ-QFIPXVFZSA-N 434.492 5.068 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2ccc3c(c2)CCCN3C)cc1 1862539005 SVEIOVVBWDQAQU-MZNJEOGPSA-N 432.564 5.008 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(O)c(O)c2)cc1 1862618537 VJKUVLPGZMHVBI-QHCPKHFHSA-N 449.547 5.306 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCC)c1 1862623701 VWKYIISYKOCKRG-QHCPKHFHSA-N 435.564 5.761 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C(C)C)cc3)[C@@H]2c2cccc(C)c2)cc1 1862660065 GYZQTUZFJGCQAJ-SANMLTNESA-N 439.555 6.205 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccccc1Br 1862669608 AHSVSGTZWKBAAL-FQEVSTJZSA-N 440.337 5.337 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc(F)c1 1862687941 QCEKRLWFNLJMJU-HSZRJFAPSA-N 439.527 5.773 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(O)cc1 1862713723 UXQLANXHUFSQBT-WSNNEZGNSA-N 441.527 5.702 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 1862737637 ZCAIRFRASXVGCI-QFIPXVFZSA-N 432.476 5.064 30 10 IKEE C=CCN1C(=O)C(Nc2cccc(Cl)c2Cl)=C(c2cc(Cl)ccc2Cl)C1=O 1863390642 NKUGQQOSDRKTRU-UHFFFAOYSA-N 442.129 5.678 30 10 IKEE CC(C)C[C@H](CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 1868178040 JREUDQQIVMOCAI-CQSZACIVSA-N 435.383 7.022 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2)c(=O)cc1CSc1ncccn1 1870271314 DCPCWQZRLNCDML-UHFFFAOYSA-N 437.609 5.870 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/C=C/c1ccccc1)O3)CN(CCCCN1CCCC1)CO2 1871348261 ASQTYUSVLDQAMS-FQQRUHGCSA-N 444.575 5.195 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(cc3c(c2C)OCN(CCOc2ccccc2)C3)C1=O 1871352528 OJFYYWCNEYEUMV-BKUYFWCQSA-N 433.529 5.212 30 10 IKEE CCCCCN1COc2c(cc3c(c2C)O/C(=C\c2c(Cl)cccc2Cl)C3=O)C1 1871352697 YFHCEEXPIZQBMG-JAIQZWGSSA-N 432.347 6.260 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(ccc(O[C@H](C)C(=O)OC(C)C)c3C)C2=O)cc1 1871400948 PXXQAENEBFUGPM-OYADDEIPSA-N 437.536 5.176 30 10 IKEE Cc1cccc(OCCCCOc2ccc3c(c2C)O/C(=C\c2sccc2C)C3=O)c1 1871403276 IYOLWIINGVPRIE-KQWNVCNZSA-N 434.557 6.528 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871406070 HIEQWQUBHMVRQG-YNJLWJOVSA-N 443.499 5.334 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc(O[C@@H](C)C(=O)Nc3ccccc3)c2C)C1=O 1871407282 VBXCIOUHTOTNNH-WSLHGYQHSA-N 443.499 5.416 30 10 IKEE COc1ccccc1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccccc1)C2=O 1871411518 INYPYDMSQFBONN-PGECNJAHSA-N 429.472 5.026 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCc4cccc5ccccc45)ccc3C2=O)cc1OC 1871434661 QPGUCGGESAFIHN-DICXZTSXSA-N 438.479 6.052 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)ccc2c1O/C(=C\c1ccco1)C2=O 1871458581 VWDQSLJUBGTVHZ-GRSHGNNSSA-N 444.270 5.529 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1cccs1 1872427734 NMOIARJXTLUBNW-GOSISDBHSA-N 441.018 5.084 30 10 IKEE Cc1ccc(O)c(N2CC(=O)C(c3nc(-c4ccccc4)c(-c4ccccc4)s3)=C2N)c1 1872726098 JWFNVSSFZBJAEI-UHFFFAOYSA-N 439.540 5.208 30 10 IKEE CCCCCCCCCOc1ccc(-c2nc3ccc(C(=O)NCC)cc3[nH]2)c(Cl)c1 1872730035 HQZJVTYQNPMWSD-UHFFFAOYSA-N 442.003 6.762 30 10 IKEE N#C[C@H](C(=O)COc1ccc(Cl)cc1Cl)c1nc(-c2ccc3c(c2)OCO3)cs1 1872773413 NHHKXLGLQAQPAD-CYBMUJFWSA-N 447.299 5.101 30 10 IKEE COc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)c(OC)c1 1872776883 ZXWPUONQFKPCIR-ACUNGTFPSA-N 432.545 5.840 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2F)C(=O)N(C2CCCCC2)C1=O 1873029283 IRTRGFVISPONMW-UHFFFAOYSA-N 428.592 5.969 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccccc2C#N)=C(c2cccnc2)C1=O 1873265706 XQUNPMSAQRJONN-UHFFFAOYSA-N 430.552 5.286 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(OCCCC)cc2)=C(c2cccnc2)C1=O 1873269342 QVZNHLVMVUGYHD-UHFFFAOYSA-N 449.595 5.813 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(Nc3ccccc3)cc1)n2CCCC 1873613155 ZXXOCLCEDGJSMX-UHFFFAOYSA-N 440.551 5.825 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)cc2)cc2c(NCc3ccccc3C)ncnc21 1873618839 KCHBTFRYKGDAKT-UHFFFAOYSA-N 431.927 5.444 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(Cl)c(C)c1)n2C 1873619829 PBSMVAWGTKXAED-UHFFFAOYSA-N 427.980 5.955 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3cccc(OCCC)c3)c(=O)oc2c1C 1873923250 WRLGMNXRTYNRPO-UHFFFAOYSA-N 435.520 5.335 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1ccccc1O 1874204068 HZVQHPZUVDUJHB-AUEPDCJTSA-N 449.363 5.420 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccccc1F 1874214596 UIKPIUVPBLEDKM-BUVRLJJBSA-N 432.952 5.467 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccccc3F)n2/N=C/c2ccc[nH]2)CC1 1874288125 OQMLAMMUFXWFAG-JVWAILMASA-N 439.604 6.384 30 10 IKEE C=CCSc1nnc(COc2cccc(C)c2C)n1/N=C/c1ccc(OCCC)cc1 1874324997 SWINJPFXBGUFOI-PCLIKHOPSA-N 436.581 5.423 30 10 IKEE Cc1ccc(CCc2nnc(SCCc3ccccc3)n2/N=C/c2ccc[nH]2)cc1C 1874330680 ZGTGGIATSXDTMR-OVVQPSECSA-N 429.593 5.225 30 10 IKEE CCSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874358298 ZQAGOEBDJANVDC-WSDLNYQXSA-N 429.933 5.042 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2C)n1/N=C/c1ccc(N(CC)CC)cc1 1874362552 KSQBVFQJAXLWIX-OVVQPSECSA-N 447.652 5.768 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2ccc(C)cc2)nnc1[C@H](C)c1ccccc1 1874392672 RJQIQPGCCRKYOL-AYQSFACRSA-N 442.588 5.921 30 10 IKEE Cc1cccc(CSc2nnc([C@H](C)c3ccccc3)n2/N=C/c2sccc2C)c1 1874394850 XNMTUUVCGJRRIF-KWXFCVSUSA-N 432.618 6.283 30 10 IKEE Clc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C/c2cccs2)cc1 1874404945 XPZKRLLRTUAIMO-BUVRLJJBSA-N 439.009 5.953 30 10 IKEE Oc1ccccc1/C=N/n1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccco1 1874468899 CSVFFCMIEGLMTI-FOKLQQMPSA-N 445.331 5.725 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1ccc(Cl)cc1Cl 1874478587 HXQCQGCZYUCTLA-DHRITJCHSA-N 447.435 6.719 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CCCC)nnc1SCc1ccccc1Cl 1874478811 TYYRYSDNKBADOG-PCLIKHOPSA-N 441.000 6.013 30 10 IKEE CCSc1nnc(CC(C)C)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874488128 MXPCPEJIIAOPFF-ZVHZXABRSA-N 428.989 5.703 30 10 IKEE Cc1cc(OCCCc2nnc(S)n2/N=C/c2ccccc2Cl)cc(C)c1Cl 1874570814 KJHCFWVQBUDQOJ-FSJBWODESA-N 435.380 5.384 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)cc2)cc1C 1874574456 NOEBGSIJYNOWKF-IZZDOVSWSA-N 449.934 5.879 30 10 IKEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(Cl)cc1)Nc1ccccc1 1874578484 QCDDRVKZXPJQGD-XYOKQWHBSA-N 426.299 5.907 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1F 1874582462 OYUDEHZSEJQFLR-RUDMXATFSA-N 431.290 6.616 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OCc1nc(O)c2ccccc2n1 1874595383 IOZALEDDLIKTIE-WUXMJOGZSA-N 446.890 5.473 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 1874604129 WVFOTKLLKKAFMF-NTUHNPAUSA-N 431.463 6.088 30 10 IKEE O=C(/C=C/c1ccc(OCc2c(F)cccc2Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 1874610925 STLFMCGWUISSNE-ONNFQVAWSA-N 446.261 6.516 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OCc1c(F)cccc1Cl 1874611763 UMTZYWBXDUTSTI-ACCUITESSA-N 440.898 6.362 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(OC)c1OCc1ccccc1F 1874611989 VQKGLXSCYQBMAK-JXMROGBWSA-N 428.406 5.596 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1)NCc1ccco1 1874615824 RUXUPVBLLITEAM-BJMVGYQFSA-N 430.287 5.178 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1Cl 1874617812 UUHRJCGHZVMYSW-JLHYYAGUSA-N 447.962 6.433 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCc3cccc(Cl)c3)c(OC)c2)cc1C 1874637838 VABBMBBBQFMFLY-CSKARUKUSA-N 436.935 6.449 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2c(F)cccc2Cl)c1)c1ccc([N+](=O)[O-])cc1 1874697833 CHFJCMDLLXKPIN-KPKJPENVSA-N 425.799 5.503 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)c2)c(C)c1 1874716365 ORPFETWSYVOKOG-DLFHSDBESA-N 444.958 6.870 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(Cl)cc2)CSc2nnc(C3CC3)n21 1874844061 PZWBIUSSDKCXDE-IBGZPJMESA-N 433.021 5.871 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1ccccn1 1875082915 TWEOXIZVPGGRHX-MHWRWJLKSA-N 435.479 5.873 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC(=O)C1CCCC1 1875094954 RFMBADMHKRNAKP-OUKQBFOZSA-N 435.476 5.324 30 10 IKEE CC(C)(C)CC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 1875109901 KBJBVSAFNIRGLO-ONNFQVAWSA-N 446.297 5.595 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccco2)c(Br)c1)c1ccc([N+](=O)[O-])cc1 1875116479 DKTKDDJVJQVNHG-YCRREMRBSA-N 442.221 5.066 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc([N+](=O)[O-])c1OC(=O)c1sccc1C 1875127099 OFQYXAFIAGJBLQ-MDZDMXLPSA-N 437.473 5.479 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 1875148407 CYDMCTDAMSSARU-CIAFOILYSA-N 446.631 7.782 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccncc3)cc2)cc1 1875159255 KDHAAGIDDIEOFE-CXUHLZMHSA-N 443.543 6.546 30 10 IKEE Cc1cnc(C(=O)Oc2ccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)cc2Cl)cn1 1875168531 HUQWJCSMVKFLKW-SOFGYWHQSA-N 434.923 5.787 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc(Cl)c1OC(=O)C(C)(C)C 1875169169 CWSYPZYGDLKWSM-CMDGGOBGSA-N 430.928 5.822 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccnc3)c(Cl)c2)cc1Cl 1875186873 FJSCENYKFKXAFY-QPJJXVBHSA-N 428.271 5.512 30 10 IKEE C=CCn1c(C(=O)N(CC)CCCC)cc2c(NCc3ccccc3Cl)ncnc21 1875228154 BZVUULQCGVYOHQ-UHFFFAOYSA-N 425.964 5.145 30 10 IKEE O=C(Nc1ccc(C(F)(F)F)c(F)c1)c1ccc(Br)cc1OC(F)(F)F 1889932422 NMTKYVDREJIRQC-UHFFFAOYSA-N 446.116 5.758 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1cccc(C)c1I 1922109777 GSERQGLSJFIFEW-OAQYLSRUSA-N 435.349 5.413 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 1944587885 GMWPWGPGOCIRES-HJPURHCSSA-N 433.524 5.154 30 10 IKEE CCCCCCCCCCC(=O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1947477806 NNSFERPVVWLDKA-QHCPKHFHSA-N 433.633 6.587 30 10 IKEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1953290265 SXFPPKCQCKFGDR-CJFMBICVSA-N 443.588 5.353 30 10 IKEE C#C[C@H](NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)CC)C(C)(C)C 1984778328 FWBLMXJTHMMAQK-YWWLGCSWSA-N 446.591 5.104 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)NCC 2025199174 VTGHOKRUMNQNHL-JRFVFWCSSA-N 430.633 5.601 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(Cl)ccc(Br)c1F 2058342649 TZLUECJZSYPHLJ-BBRMVZONSA-N 435.765 5.362 30 10 IKEE C=C1C[C@@H]1C[C@H](NCCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071267886 USUNVPCZNVHQQI-SXOMAYOGSA-N 427.588 6.852 30 10 IKEE CC(C)(C)c1nn(-c2ccc(F)c(C(F)(F)F)c2)c(C(F)(F)F)c1Br 2079142086 UWKASDLSUAAMCE-UHFFFAOYSA-N 433.165 6.109 30 10 IKEE CCCc1ccc([C@@H](C(C)C)n2nc(C3CCC3)c(C#N)c2I)cc1 2079858438 QAIULGXRGLTUDE-HXUWFJFHSA-N 447.364 5.825 30 10 IKEE CC[C@H](c1ccc(C)c(F)c1F)n1nc(C(C)(C)C)c(C#N)c1I 2079937517 VJMNDXKCIBKYRQ-CYBMUJFWSA-N 443.279 5.243 30 10 IKEE COc1ccc([C@H](n2nc(C3CCC3)c(C=NO)c2Br)C2(C)CC2)cc1C 2079981829 SAOMMUYJBMDMAJ-IBGZPJMESA-N 432.362 5.428 30 10 IKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCN(C(=O)OC(C)(C)C)C12CCCCC2 2083809826 YMKADKCUMPFODH-CLOONOSVSA-N 449.636 6.018 30 10 IKEE C=CCN(CC[C@@H](NCCC)c1c(C)sc(C)c1Br)C(=O)OC(C)(C)C 2099292339 IAJJEZCPSKCSAU-MRXNPFEDSA-N 445.467 5.981 30 10 IKEE N#Cc1ccc(N[C@@H]2CN(Cc3ccccc3)C3(CCCC3)C2)c(F)c1Br 2154514830 DQYIZONFQBXIOG-SFHVURJKSA-N 428.349 5.459 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)C[C@H]2CC(F)(F)C[C@H]2C1 2160215129 MYBFGHRJRLBLTA-HBCWATKFSA-N 441.316 5.908 30 10 IKEE C=CC1(C[C@H](NCCC)c2cc(Br)cc(NC(=O)OC(C)(C)C)c2)CCC1 2168029546 WWHFRGYRUFGWQH-IBGZPJMESA-N 437.422 6.583 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(Nc2ccccc2Br)CC12CCCC2 2194582731 IOLDEGNKLFLUEK-HXUWFJFHSA-N 434.378 5.467 30 10 IKEE CCCN[C@H](C#Cc1cccc(Cl)c1)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 2216976676 DOZYWBGYCNUXLG-XMMPIXPASA-N 441.015 5.887 30 10 IKEE C=CCCCCCCC[C@H](O)c1ccc(I)c(Br)c1 2227291787 UWWNMMRAUFNTNK-INIZCTEOSA-N 437.159 6.004 30 10 IKEE CC1(C)OB(c2ccccc2NC(=O)N(Cc2ccccc2)Cc2ccccc2)OC1(C)C 2241488681 BBHMRDLAGBGPCP-UHFFFAOYSA-N 442.368 5.220 30 10 IKEE C#C[C@@H](NC(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCC1 2243910799 KNVSSBJDVFZXTF-RUZDIDTESA-N 444.575 5.002 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C(C)C 2246560694 SQCGIUDFYOQYPP-HJOGWXRNSA-N 430.633 5.409 30 10 IKEE CC(C)(C)N(Cc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2247962617 KTBIFMSESMXWLO-UHFFFAOYSA-N 427.781 5.080 30 10 IKEE C=CCCC1([C@H](NCCC)c2ccnn2Cc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2255001046 ITAFCHZWAHDAFU-HSZRJFAPSA-N 438.616 5.175 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2257339275 KBGQXZSQAGWLRP-KHVVASAOSA-N 447.620 5.532 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)C[C@@H]2CCCC[C@H]21 2259968130 LWNMPTVQHXAWAF-LAOBSVPGSA-N 442.644 5.601 30 10 IKEE CC1(C)OB(c2cccc(F)c2CN(CCC(F)(F)F)Cc2ccccc2)OC1(C)C 2260856711 DZEDPVOJVYPDRC-UHFFFAOYSA-N 437.286 5.080 30 10 IKEE N[C@@H](C#Cc1cccc(Br)c1)c1ccc(Br)cc1Br 2278728135 PFBPJEYLKZXBSV-HNNXBMFYSA-N 443.964 5.026 30 10 IKEE N[C@H](C#Cc1ccc(Br)cc1)c1cc(Br)cc(Br)c1 2278796422 NYDDNUICPKXXNN-OAHLLOKOSA-N 443.964 5.026 30 10 IKEE COc1cc(O)ccc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2282820440 TYIGYNWIZFZGLC-QGZVFWFLSA-N 433.302 5.170 30 10 IKEE CN1C(=O)C(=Cc2ccc(C(C)(C)C)cc2)SC1=Nc1ccc(N2CCOCC2)cc1 2293983735 UHNDKKPQBIPCFW-UHFFFAOYSA-N 435.593 5.055 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)C[C@H](NC(=O)OC(C)(C)C)C(C)C 2296311597 YYIJFEZQHKHPHZ-UXHICEINSA-N 437.422 5.108 30 10 IKEE CCCCN(CCCC)Cc1c(O)ccc2c1OC(=Cc1ccc(OC)cc1OC)C2=O 2296599754 OWNLSVNACKUEPW-UHFFFAOYSA-N 439.552 5.428 30 10 IKEE COc1cc(OC)c(OC)cc1C=C1Oc2cc(OCc3ccccc3F)ccc2C1=O 2296868009 NSHFAQYXXFWOPF-UHFFFAOYSA-N 436.435 5.047 30 10 IKEE O=C1C(=Cc2cccc(Br)c2)Oc2cc(OCc3ccc(F)cc3)ccc21 2296868010 NSIHDZCGMYLYDX-UHFFFAOYSA-N 425.253 5.783 30 10 IKEE CCOc1ccc(N(C)c2ccc(C=C3Sc4ccc5ccccc5c4C3=O)cc2)cc1 2297298226 QYBVUFNRHHZGAH-UHFFFAOYSA-N 437.564 7.336 30 10 IKEE C=CCN1C(=O)SC(=Cc2c(OCc3ccc(C(=O)O)cc3)ccc3ccccc23)C1=O 2297620278 SKNMAKXVPBZMCI-UHFFFAOYSA-N 445.496 5.339 30 10 IKEE CCCCN1C(=O)C(=C2Sc3ccc(OC)cc3N2C)SC1=Nc1cccc(O)c1 2297708200 NBRUHMFTBIDXIS-UHFFFAOYSA-N 441.578 5.175 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2c2nccs2)c1 2314474646 KBCUVJWSMJJOPH-JOCHJYFZSA-N 446.528 5.114 30 10 IKEE Cc1ccc(CN2C(=O)C(=Cc3nc(C#N)c(Nc4ccc(C)cc4)o3)SC2=S)cc1 2314508205 NQENAIQKERMRRT-UHFFFAOYSA-N 446.557 5.308 30 10 IKEE CSC1(C#C[C@H](N)c2ccc(Br)cc2NC(=O)OC(C)(C)C)CCC1 2314670225 WURTZXJOURSYBD-HNNXBMFYSA-N 425.392 5.085 30 10 IKEE CCCCOc1ccc(C=NNc2oc([C@H]3C[C@H]3c3ccccc3)nc2C#N)cc1OCC 2320837255 QUZSXLWIMDWMQF-SFTDATJTSA-N 444.535 5.841 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(Cl)cc1)O3)CN(CCc1ccccc1)CO2 2321937225 BNXSCNOFSPQRCF-UHFFFAOYSA-N 431.919 5.659 30 10 IKEE COc1cc(C=Nn2c(S)nnc2CC(C)(C)C)ccc1OCc1ccc(Cl)cc1 2321937282 PJFYXLMNTNOKDM-UHFFFAOYSA-N 444.988 5.279 30 10 IKEE Fc1ccccc1COc1ccc(C=Nn2c(S)nnc2CCc2cccs2)cc1 2321988228 JGDSFUJQFVAOEX-UHFFFAOYSA-N 438.553 5.014 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(C(C)C)cc1)O3)CN([C@H]1CCCC[C@H]1C)CO2 2322153290 XNGDXWUEBJXMMV-JPYJTQIMSA-N 431.576 6.465 30 10 IKEE COC(=O)c1ccc(C=C2Oc3c(ccc4c3CN(C3CCCCCCC3)CO4)C2=O)cc1 2322177619 UAASLQDYYJITRK-UHFFFAOYSA-N 447.531 5.354 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2ccccc2Cl)cc1OC 2322350450 VAGRNLKWZJLWBW-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc4c(c1)OCO4)C3=O)CN([C@@H](C)c1ccccc1)CO2 2322371147 JQIIFOKJBSMCTL-KRWDZBQOSA-N 441.483 5.253 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(F)c(C)c2)c1OCC(=O)Nc1ccc(C)cc1 2322638277 GEJQMKBDQGHCOW-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE CCCCCCCCCOc1ccc(C=NNc2ccc(OC)c(Cl)c2)cc1OC 2322926371 NIDSITGLGOMXDB-UHFFFAOYSA-N 432.992 6.933 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc(OC(=O)C(Cl)(Cl)Cl)c2C)C1=O 2323038284 MRONSQVRGBZUAH-UHFFFAOYSA-N 441.694 5.286 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3C)cc(C)c2C1=O 2323272106 AQYGGKZEFFXNCH-UHFFFAOYSA-N 435.457 5.417 30 10 IKEE COC(=O)c1ccc(COc2cccc(C=CC(=O)c3ccc(OC)c4ccccc34)c2)o1 2323331571 QFVSTWSQCDWUCE-UHFFFAOYSA-N 442.467 5.703 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2Cl)c(Cl)c1)c1ccc2ccccc2c1 2323396211 JBJWIHHDBWXXIT-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccccc2Cl)cc1Cl)NC1CCCCC1 2323603256 GKVKKCGCCQVSQV-UHFFFAOYSA-N 432.347 5.717 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)cc([N+](=O)[O-])c1OCc1ccccc1 2323732928 ITFMJJJRPIATFM-UHFFFAOYSA-N 439.414 5.747 30 10 IKEE Cc1c(OC(=O)c2cccc(OC(C)C)c2)ccc2c1OC(=Cc1ccc(Cl)cc1)C2=O 2323812562 DEXXGQWTYXRQAH-UHFFFAOYSA-N 448.902 6.271 30 10 IKEE CCCCCCCCCOc1ccc(C=NNC(=S)NC2CCCCC2)cc1OC 2323858466 ALYKIPFWCKASMR-UHFFFAOYSA-N 433.662 5.955 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OCc2ccccc2)c(Br)c1 2323992560 UGCPUWKPMJAJTJ-UHFFFAOYSA-N 437.333 6.241 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)c1 2324014432 RCYWIBYBQQVIPN-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE O=C(C=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1ccc2c(c1)OCCO2 2324035421 XMTWHSDRHSTWOG-UHFFFAOYSA-N 441.310 6.240 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OCc3ccccc3F)c(OC)c2)cc1F 2324102884 CCPIYFCJABJFLA-UHFFFAOYSA-N 444.861 6.111 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2324319288 JWNKYAKISMGHNF-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1cccc(C)c1)C2=O 2324325106 JBILWXKYOWYOHH-GOSISDBHSA-N 443.499 5.416 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OCc3ccc(C(=O)OC(C)C)cc3)c2C)C1=O 2324608485 ZFNRUMURMGMAOR-UHFFFAOYSA-N 442.511 6.064 30 10 IKEE COc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccc(Cl)cc4)ccc3C2=O)cc1 2324609747 YGOSTYLNNOVUTB-HNNXBMFYSA-N 449.890 5.371 30 10 IKEE Cc1cc(OCc2nc(O)c3ccccc3n2)cc2c1C(=O)C(=Cc1ccccc1Cl)O2 2325204189 RAKLUKZEWKVAGJ-UHFFFAOYSA-N 444.874 5.492 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccccc2C)c1 2325441642 WWTHFNTYUUFELB-UHFFFAOYSA-N 426.589 5.855 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc(O)cc1 2325535625 VZWQWTCKGIPHOM-UHFFFAOYSA-N 435.380 5.808 30 10 IKEE O=C(Cc1ccccc1[N+](=O)[O-])Oc1cccc(C=CC(=O)c2ccc3c(c2)CCCC3)c1 2325701701 QXMDIQVCNHMPHK-UHFFFAOYSA-N 441.483 5.518 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccccc3[N+](=O)[O-])c2)cc1C 2325713944 OOMJGBNCXLAHAP-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE COc1ccccc1C(=O)C=Cc1cccc(OC(=O)Cc2ccc(Cl)c(Cl)c2)c1 2325724033 VPTYVGCNQWWBOH-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OCC(=O)Nc4c(C)cc(C)cc4C)c3C)C2=O)c1 2325737055 ZQLOCPOAMMEZEC-UHFFFAOYSA-N 441.527 5.862 30 10 IKEE O=C(CCc1ccccc1)Oc1cccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)c1 2325737401 MDCWTQJIVNPCGF-UHFFFAOYSA-N 425.311 6.428 30 10 IKEE Cc1cc(C(=O)C=Cc2cccc(OC(=O)c3ccc(Br)cc3)c2)ccc1F 2325742134 LAUURVCUJCWJCI-UHFFFAOYSA-N 439.280 6.012 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1OC(=O)c1ccc(F)cc1 2325755081 QTHRWJBTOVDPGR-UHFFFAOYSA-N 434.463 5.575 30 10 IKEE COc1ccccc1OCC(=O)Oc1cccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)c1 2325756841 HGZBIUVJIDTPIU-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OC(=O)c1ccc(C)c([N+](=O)[O-])c1 2325759974 KTCYGRWLZSWBNE-UHFFFAOYSA-N 445.471 5.644 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3c(C)cc(C)cc3C)c2)cc1OC 2325764618 LKMVOFGTBIPVDP-UHFFFAOYSA-N 444.527 5.673 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccccc1C 2326074814 DEJFHBBNLILHRK-UHFFFAOYSA-N 426.973 5.412 30 10 IKEE CCOc1cc(C=Nn2c(CC)nnc2SCc2ccccc2F)cc(Cl)c1OC 2326269052 AMKFSBQHZWKEFQ-UHFFFAOYSA-N 448.951 5.215 30 10 IKEE CCOc1cc(C=Nn2c(C)nnc2SCc2ccc(C)cc2)cc(Cl)c1OCC 2326295483 ZDOBTSGETRIDSA-UHFFFAOYSA-N 444.988 5.520 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1c(C)n(C)c2ccccc12 2326306485 AGKZQNFPPGJNCB-UHFFFAOYSA-N 431.609 5.904 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(OC)c([N+](=O)[O-])c1 2326637683 XDZXAQRHTWGVLF-UHFFFAOYSA-N 447.520 5.085 30 10 IKEE CCOc1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2Cl)cc1Cl 2326697621 QLKUDTONUKHYGZ-UHFFFAOYSA-N 441.771 5.812 30 10 IKEE CCCc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2cccn2C)cc1 2327365934 HZHNAQIVKJCDON-UHFFFAOYSA-N 445.592 5.323 30 10 IKEE CCCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc(N(C)C)cc1 2328075525 VIRLFSAIEUFQNK-UHFFFAOYSA-N 428.005 5.167 30 10 IKEE Cc1ccc(CSc2nnc(COc3c(C)cccc3C)n2N=Cc2ccccc2)cc1 2328545482 JWVWDSSIMSDRBZ-UHFFFAOYSA-N 442.588 5.957 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1cccc(Cl)c1 2328945502 UVZFNPIRXVCWSQ-UHFFFAOYSA-N 425.001 5.884 30 10 IKEE Cn1cccc1C=Nn1c(Cc2ccccc2F)nnc1SCc1ccccc1Cl 2329745881 ALVYEBNYCWNWFI-UHFFFAOYSA-N 439.947 5.174 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc4ccccc34)n2N=Cc2cccnc2)cc1 2330019743 IDVQLEATXAAGSC-UHFFFAOYSA-N 449.583 5.900 30 10 IKEE C=CCSc1nnc(CC2CCCCC2)n1N=Cc1ccc(OCCC)c(OCC)c1 2330277748 QHRRWFPRYGNMGP-UHFFFAOYSA-N 442.629 5.749 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(Cl)c1OC(=O)C(F)(F)F 2330665845 OTLZZWGPCCXQRF-UHFFFAOYSA-N 448.824 6.256 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 2330805416 JMKPHVKUKWCDAH-UHFFFAOYSA-N 425.311 6.671 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(SCc2cccc(F)c2)nnc1[C@@H]1CCCO1 2330935000 DAPSFYNFRCXQIY-NRFANRHFSA-N 440.544 5.230 30 10 IKEE CCOc1cc(C=Nn2c(SCc3ccccc3C)nnc2C2CCCC2)ccc1O 2331030825 YYTUNIAGFRXWQN-UHFFFAOYSA-N 436.581 5.523 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@@H]2CCCO2)c(Br)c1)c1cccc(Cl)c1 2331123611 XCKIBAKHHBLJPN-IBGZPJMESA-N 435.701 5.083 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] 2331123919 NMXWRTNZGMTSQX-UHFFFAOYSA-N 439.826 5.432 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc([N+](=O)[O-])c1OC(=O)c1ccccc1OC 2331174461 RPXFHALNNRNJAE-UHFFFAOYSA-N 447.443 5.117 30 10 IKEE Oc1ccccc1C=Nn1c(SCc2cccc3ccccc23)nnc1-c1ccco1 2331216436 RFKCIBSTYSHART-UHFFFAOYSA-N 426.501 5.571 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)c1ccc(F)cc1 2331328738 GOHJPKFNBOGPEV-UHFFFAOYSA-N 444.502 6.295 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)CCc2ccccc2C)c(Cl)c1 2331359068 XKTPRCRNAOMBJA-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2cc(OC)ccc2OC)cc1 2331381121 LFSZSCARGXVXFL-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc3ccccc23)cc(Cl)c1OC(=O)C(F)(F)F 2331474748 HUXMMHAJFSNXNY-UHFFFAOYSA-N 448.824 6.256 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1cc(C)ccc1O 2331663993 OWXSSWQUFSAFGG-UHFFFAOYSA-N 435.380 5.726 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)c(OC)cc2C)cc([N+](=O)[O-])c1OC(=O)C(C)C 2331851620 CALBOQPAUOSAPH-UHFFFAOYSA-N 441.480 5.076 30 10 IKEE CC(C)(C)OC(=O)N[C@]1(C)C[C@H]2CC[C@H]1C[C@H]2Nc1ccc(Br)c(C#N)c1 2380854238 DQIXPHASKXSJRO-SWQHDHIYSA-N 434.378 5.205 30 10 IKEE CCc1ccccc1N/C(=N\C(=O)c1ccccc1Cl)NCCc1c[nH]c2ccccc12 32943386 ATHZGJDGYLFTJT-UHFFFAOYSA-N 444.966 5.824 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)SC1=S 33323479 ZWWQNXGKAQKWCX-UNOMPAQXSA-N 431.966 5.315 30 10 IKEE Cc1ccccc1/C=C1/Oc2cc(OC(=O)N(c3ccccc3)c3ccccc3)ccc2C1=O 34799593 UOAIKUXVCOWSMO-OVVQPSECSA-N 447.490 6.948 30 10 IKEE O=C(/C=C\c1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1 34954138 UEWBKIHQFPLXAN-MGAWAESESA-N 430.503 6.869 30 10 IKEE COc1ccc(/C=C\C(=O)c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)c(OC)c1 35352552 MNVOHPONTJNCIK-LCYFTJDESA-N 445.902 5.762 30 10 IKEE O=C1/C(=C/c2ccc(Br)s2)CC/C1=C\c1ccc(Br)s1 40379064 JCHGHRDQLMPPJN-FIFLTTCUSA-N 430.186 6.165 30 10 IKEE O=C(/C=C/C=C/c1ccccc1)C(C(=O)/C=C/C=C/c1ccccc1)=C1SCCCS1 100435943 WDGPLMWZJKVASP-TWHMTRNPSA-N 444.621 6.746 30 10 IKEE C=CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N/c1ccc2ccccc2c1 106953202 RJLHKQGDRKBFGG-DIQLGICBSA-N 429.570 6.000 30 10 IKEE COc1cc(/C=N\Nc2nc3ccccc3s2)cc([N+](=O)[O-])c1OCc1ccccc1 169890377 HKOGCNMCCHYXQB-QRVIBDJDSA-N 434.477 5.238 30 10 IKEE CCN(Cc1ccccc1)c1ccc(/C=N\n2c(Cc3ccccc3)nnc2SC)cc1 169916003 CJVGDKVFMXQRNW-DIBXZPPDSA-N 441.604 5.500 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@H](c2ccccc2OCc2ccccc2C)NC(=S)N1C 169935133 HYDQTWKDSZIYPT-VWLOTQADSA-N 442.584 5.592 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(F)cc2)=C(O)C(=O)N1c1cc(C)cc(C)c1 169941187 RQWYUWARLVUHJQ-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccc(O)cc2)c1 169961228 NFAQDIPRBDMPLD-JOCHJYFZSA-N 449.890 5.227 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@H]2c2cccnc2)cc1 170008355 ITTFTGSUMARTIZ-DEOSSOPVSA-N 436.467 5.026 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccncc2)cc1 170016703 ADMHMTALGZGSIE-AREMUKBSSA-N 448.522 6.141 30 10 IKEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 170055664 QJWSLBRYVBQHEC-HSZRJFAPSA-N 447.918 5.517 30 10 IKEE CCOc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccco2)c1 170097822 GIPRWKICESCOQF-NRFANRHFSA-N 437.879 5.110 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2OC)cc1C 170123942 FNJRUZIRXWGTNE-XMMPIXPASA-N 449.547 5.232 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccc(C)c2)c(OC)c1 170140887 CXGWWPLOBNRYNF-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C2CCCCC2)c1 170145399 IJENBQZVQHOLFF-OAQYLSRUSA-N 444.358 6.213 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccccn2)c1 170172484 QCJDRTUOCOSYCN-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1ccccc1)c1cccc(Cl)c1 170229125 LQMXZYOGGOGJPY-FQEVSTJZSA-N 425.818 5.401 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(F)cc1 170242384 KWAAFMOCBUDTRM-XMMPIXPASA-N 449.566 6.343 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1F)c1cc2cc(Cl)ccc2o1 170249234 XFGIFVFVAKWVHA-JOCHJYFZSA-N 447.849 6.008 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cccc(O)c1)c1ccc2c(c1)CCCC2 170261808 RTCYHFAHOLFFJI-XMMPIXPASA-N 431.532 5.182 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc(O)c2)cc1 170261885 FHTZQOSEWZQPRO-XMMPIXPASA-N 449.547 5.338 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccc2C)c1 170270748 XVZQZVFTTDFGIA-QHCPKHFHSA-N 431.463 5.316 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccco1)c1cc2cc(Cl)ccc2o1 170282458 PVHSXTMSTSBXCX-HXUWFJFHSA-N 437.810 5.601 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC(C)C)cc3)[C@@H]2c2ccco2)c1 170282700 CLNDKJDJIRRNAZ-DEOSSOPVSA-N 445.515 5.714 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(Cl)cc2)cc1 170453687 XWGLDJKRTSESLK-NRFANRHFSA-N 440.971 5.701 30 10 IKEE Cc1cccc(N2C(=O)C(=O)/C(=C(O)\C=C/c3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)c1 229099724 XXNYPZYFQKYNGI-GKWDJHJYSA-N 440.455 5.086 30 10 IKEE COc1ccc2ccccc2c1/C=C1/SC(=Nc2ccccc2)N(c2ccccc2)C1=O 252601951 FEMIEZRCXCANGU-OFGWUVNBSA-N 436.536 6.657 30 10 IKEE CCOc1ccc(C(CCCCCCCC(=NO)c2ccc(OCC)cc2)=NO)cc1 252603231 FOUGSWFUINRTOL-UHFFFAOYSA-N 426.557 6.272 30 10 IKEE COc1cc(OC)cc(C(=O)N2C(=Nc3cccc(C(F)(F)F)c3)SCC2(C)C)c1 254611572 BBXPFSFIQCULAM-UHFFFAOYSA-N 438.471 5.378 30 10 IKEE Cn1c(N)c(-c2nc3ccccc3s2)sc1=NC(=Nc1ccccc1)c1ccccc1 254629613 HPYPDSBZLJMRTH-UHFFFAOYSA-N 441.585 5.625 30 10 IKEE COc1ccc(N=C2S/C(=C\c3ccc(O)cc3)C(=O)N2c2ccc(OC)cc2)cc1 254703317 TZTPTHOIVTXCFJ-IBORXNHRSA-N 432.501 5.218 30 10 IKEE CCc1ccccc1NC(=S)NN=C1C(=O)N(Cc2cc(C)ccc2C)c2ccccc21 254765634 GIXIONXSJOTLPB-UHFFFAOYSA-N 442.588 5.103 30 10 IKEE O=C(OCc1ccccc1)N1C[C@H](CS)[C@H](c2ccc(Cl)cc2Br)C1 382691536 IPTPYPVVJLECAK-RHSMWYFYSA-N 440.790 5.385 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)ccc1Br)NCCC 407501966 LNVGXSRRKCTYFV-ROUUACIJSA-N 445.829 5.483 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccs2)cc1OC 526486447 KXUHCYQYVYHDTM-QFIPXVFZSA-N 432.501 5.084 30 10 IKEE COc1cc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2ccccc2C#N)cc(Cl)c1O 526605308 ARQNRIFECPGULP-LJQANCHMSA-N 438.892 5.045 30 10 IKEE Cc1cccc(CSc2nnc(C)n2/N=C\c2ccc(OC(=O)c3ccccc3)cc2)c1 526807979 LMWNXEAPFQFBER-QQXSKIMKSA-N 442.544 5.289 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1cc(Br)ccc1O 526808347 SEVPVNVYELIWBR-UUYOSTAYSA-N 445.386 5.182 30 10 IKEE Cc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccc(OC(C)C)c(Cl)c1 526815566 CBQXWDBKLKIFBZ-KSEXSDGBSA-N 435.380 5.855 30 10 IKEE Cc1nnc(SCc2cccc(F)c2)n1/N=C\c1c(Cl)ccc(Cl)c1Cl 526825191 NNGVKLOOWZOMGS-UYOCIXKTSA-N 429.735 5.860 30 10 IKEE CC1CCN(c2ccc(N(Cc3cccc(C#N)c3)S(=O)(=O)c3ccccc3)cc2)CC1 586194929 WMIITJXWIAHDMX-UHFFFAOYSA-N 445.588 5.190 30 10 IKEE Cc1cc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2cccs2)ccc1Br 586221705 YIRDWSQQDONWAW-UHFFFAOYSA-N 447.379 5.086 30 10 IKEE CCOc1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 586250123 XOUDGBKUZANHHY-UHFFFAOYSA-N 448.588 5.650 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1cc(F)cc(Cl)c1 698460086 XXBUJANWCCHIJX-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCSc2ccccc21 698488951 MYAQTLZGSNNRMP-NRFANRHFSA-N 445.382 6.105 30 10 IKEE C=CCN(C[C@@H](Cc1cccc(Cl)c1Br)NCCC)C(=O)OC(C)(C)C 719448265 ZFZSIVFEMBDXSR-MRXNPFEDSA-N 445.829 5.436 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 724029071 PDFUZEWBXRNGGT-SBUREZEXSA-N 449.979 5.811 30 10 IKEE CC(C)(C)OC(=O)NC1CCC(C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)CC1 724081011 ZIMPWFAEGOUALO-UHFFFAOYSA-N 449.979 5.811 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)CSc2n[nH]c(NN=C/C=C/c3ccccc3)n2)cc1 1084434784 OFVPVLZWFHBXQU-RVTYTTPYSA-N 434.569 5.160 30 10 IKEE C#CCOc1cccc(Cl)c1CN(CCC)Cc1nc(O)c2ccc(Cl)cc2n1 1180359395 KKZSLPNQVUOWNB-UHFFFAOYSA-N 430.335 5.066 30 10 IKEE Cc1nnc(N=C2S/C(=C\c3c(F)cccc3Cl)C(=O)N2C2CCCCC2)s1 1772739744 VSGDEZJHQZUXCR-FIMHLPJISA-N 436.965 5.576 30 10 IKEE O=C1NC(=NN=Cc2ccc(-c3ccc(Cl)cc3)o2)S[C@H]1Cc1ccc(Cl)cc1 1772741746 ARYQXKHQZZKTEZ-IBGZPJMESA-N 444.343 5.418 30 10 IKEE CC(/C=C1\SC(=NN=Cc2ccccc2F)N(Cc2ccco2)C1=O)=C\c1ccccc1 1772758869 GKGGPHXJSSIQFI-FNDBNHCESA-N 445.519 5.872 30 10 IKEE Cc1ccc(-n2cc(/C=N\NC(N)=S)c(-c3ccc(-c4ccccc4)cc3)n2)cc1Cl 1857806561 DWUULNYRGWNTCU-VYYCAZPPSA-N 445.979 5.335 30 10 IKEE CCOc1ccc(-n2cc(/C=N\NC(=S)Nc3ccccc3)c(-c3cccs3)n2)cc1 1857807979 ITTINPSLUSGTEU-IWIPYMOSSA-N 447.589 5.320 30 10 IKEE COc1cccc(NC(=S)N/N=C\c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)c1 1857811660 VQTDTAWOEKONSZ-QQXSKIMKSA-N 441.560 5.177 30 10 IKEE CCSc1ccc(C(=O)Nc2c(C#N)cnn2-c2cc(C)c3cc(C)cc(C)c3n2)cc1 1859750850 SRHMCKWYJQHQPI-UHFFFAOYSA-N 441.560 5.582 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)Cc1ccc(F)cc1)c1ccccc1 1861482206 FVRJQIOBXYVZGX-RUZDIDTESA-N 426.576 5.483 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)COc1ccc(CCC)cc1 1861659068 VSDGPDOHWMRVRJ-DEOSSOPVSA-N 430.633 5.266 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)CCCOc1ccccc1C 1861706745 SWWZLAXGDUWPHH-XMMPIXPASA-N 446.676 6.086 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)CCOc1ccccc1)c1ccccc1 1861780549 RYAAEYIRNSYTQG-SANMLTNESA-N 438.612 5.570 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C(C)C)cc1 1862382809 FZBJMUIXQPLEAA-LJQANCHMSA-N 434.319 5.379 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2cccc(C)c2)cc1C 1862400699 KPGONAKKAYDNEJ-XMMPIXPASA-N 445.490 5.230 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1cccc(Cl)c1 1862403155 PEDSFOYSUMPLLK-QFIPXVFZSA-N 441.955 5.816 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc2cc[nH]c2c1 1862432388 CWRDYGKDXRKHHB-JOCHJYFZSA-N 436.939 5.980 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 1862473913 IOQXRFJLMJMMBA-XMMPIXPASA-N 429.491 5.345 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 1862479681 NLBRUSHKKGJDBJ-DNVKUUNQSA-N 445.603 6.450 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862488927 LIRSBGVVMMJHQJ-UQBPGWFLSA-N 441.527 5.652 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(OC)cc1 1862489078 ONHDHUIOIYBPQS-RUZDIDTESA-N 449.591 6.251 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2cccc(F)c2)c1 1862489174 RALJFBCNIXPPJE-DEOSSOPVSA-N 433.523 5.911 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccccc1Br 1862496241 GEQVPWAAMHCUEV-MGPUTAFESA-N 442.353 5.443 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccccc1C 1862524109 XJZJRGQPCWNQJI-IFXJQAMLSA-N 428.326 5.134 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C2CCCCC2)c1 1862616968 TUAJEUCSCXLGJG-DEOSSOPVSA-N 447.575 5.904 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2F)cc1 1862617848 ZBGGETBXQLEIES-JOCHJYFZSA-N 449.547 5.963 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2cccc(C)c2)cc1F 1862638657 GYBJNGMPEGKYMR-YBVWCTEOSA-N 437.511 5.300 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(C(F)(F)F)cc1 1862655368 HDSKBZNFFSRHHK-FQEVSTJZSA-N 425.406 5.457 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc(Cl)c1 1862712107 JLXDUDXKOKAOSZ-QHCPKHFHSA-N 433.935 6.262 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(Nc2ccccc2C#N)=C(c2ccccc2F)C1=O 1862918338 TVYHAFUBILULKB-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE CCCCCCCCNC1=C(c2ccc(OCCC)cc2)C(=O)N(Cc2ccccn2)C1=O 1863677432 GDJIMDYOCPLOFO-UHFFFAOYSA-N 449.595 5.101 30 10 IKEE CCCCCCCCCCCC(=O)N[C@H](CC(=O)O)c1ccc(OCCC)c(OC)c1 1865985030 WHTNHVRZJBUDCP-OAQYLSRUSA-N 435.605 6.037 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCC2CCCCC2)cn1CCCCc1ccccc1 1870482694 FGDZOWZDMLECAV-UHFFFAOYSA-N 448.651 6.004 30 10 IKEE C=CCn1cc(OCCCOc2cccc(C)c2)c(=O)cc1CN(CCCC)CCCC 1870780665 YURPZFJGKVSJQI-UHFFFAOYSA-N 440.628 5.593 30 10 IKEE C=CCOc1cn(CCCOCC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870809954 DSAMYVAAGPFUIO-UHFFFAOYSA-N 433.552 5.195 30 10 IKEE C#CCOc1cn(CCCCc2ccccc2)c(CNc2ccc(C(C)(C)C)cc2)cc1=O 1871006900 ARHOYKKMOOHZAE-UHFFFAOYSA-N 442.603 5.793 30 10 IKEE C=CCn1cc(OCc2c(F)cccc2Cl)c(=O)cc1CNc1ccc(OCC)cc1 1871089341 GVFBEOCHBOKFGU-UHFFFAOYSA-N 442.918 5.417 30 10 IKEE CCCCCCCCCCn1cc(OCCC)c(=O)cc1CNc1ccc(C)c(Cl)c1 1871106815 XOSKPICEGILUIS-UHFFFAOYSA-N 447.063 7.352 30 10 IKEE COc1ccc(Oc2ccc(-c3nc(CC(=O)Nc4ccc(C#N)cc4)cs3)cc2)cc1 1871275292 WADQEHDNPGGKLY-UHFFFAOYSA-N 441.512 5.664 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc4c(c1)OCO4)O3)CN([C@H]1CCCC[C@H]1C)CO2 1871351033 HBCCYXDBAPIPAX-ASJODMONSA-N 433.504 5.071 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1cccc(Cl)c1)C3=O)CN(CCOc1ccccc1)CO2 1871352685 XPGZHOQIGPUZHS-QRVIBDJDSA-N 447.918 5.496 30 10 IKEE Cc1cc(OC(=O)Cc2ccc(F)cc2)cc2c1C(=O)/C(=C/c1c(F)cccc1Cl)O2 1871371744 GMEFZDZNEXIMMV-MTJSOVHGSA-N 440.829 5.691 30 10 IKEE COc1ccccc1/C=C1\Oc2c(ccc(OC(=O)/C=C/c3ccc(Cl)cc3)c2C)C1=O 1871374963 MBTJYEHULYXDSH-DYAARSSKSA-N 446.886 5.892 30 10 IKEE Cc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1[N+](=O)[O-] 1871375068 QYROVVVSFGDJAU-FBHDLOMBSA-N 449.846 5.700 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OC(=O)/C=C/c3ccc(C(C)C)cc3)ccc2C1=O 1871380350 KCKZMDRPCUCXTM-BPWDOSJGSA-N 430.525 6.415 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OCCOc4ccccc4F)ccc3C2=O)c2ccccc21 1871417395 RUHNKPADDYKHNN-YSMPRRRNSA-N 443.474 5.874 30 10 IKEE CCCCCCCCCOc1ccc2c(=O)c(-c3ccc(OC(F)(F)F)cc3)coc2c1 1871429913 TYLXNNUZEWDBOK-UHFFFAOYSA-N 448.481 7.488 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 1871432222 YVLORWMJNVCHIF-OOZFQIFESA-N 439.511 5.882 30 10 IKEE CCCOC(=O)[C@H](CC)Oc1cc(C)c2c(c1)O/C(=C\c1cn(C)c3ccccc13)C2=O 1871432638 FKKXGWJZNYYXOP-DHJMFLCTSA-N 433.504 5.214 30 10 IKEE Cc1cc(OCC(=O)Nc2ccccc2C(F)(F)F)cc2c1C(=O)/C(=C/c1ccco1)O2 1871452610 VHAYSXWWZZQWJK-GRSHGNNSSA-N 443.377 5.241 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cccc(Cl)c1C)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1872438093 KYUTZBDHFPETGK-JTSKRJEESA-N 449.016 5.269 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OC(=O)OCC)cc3)n2)cc1 1872762258 HMPGGBSCHNOKBW-NRFANRHFSA-N 448.544 6.178 30 10 IKEE CC(C)c1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3Br)n2)cc1 1872775519 SJGUYXOYDIUNRA-KRWDZBQOSA-N 425.351 6.186 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@H](C#N)C(=O)c2cc3ccccc3oc2=O)n1 1872780828 MIFRAFSQKNJJJB-GOSISDBHSA-N 430.485 5.032 30 10 IKEE N#C[C@H](C(=O)CCc1ccc(Cl)cc1)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872787771 QZIJMGXIGIJZEI-MRXNPFEDSA-N 435.763 6.579 30 10 IKEE COc1cc(/C=C/C(=O)[C@@H](C#N)c2nc(C)cs2)ccc1OCc1ccc(Cl)cc1 1872789698 REJXFWCIIRQGSU-NTPDMAOXSA-N 438.936 5.582 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2C)C(=O)N(CCOc2ccccc2)C1=O 1873103924 HCOFUOBJAMYOQO-UHFFFAOYSA-N 434.580 5.104 30 10 IKEE CCCCCCCCN=c1nc2c(cnn2-c2ccccc2)c(Nc2ccc(C)cc2O)[nH]1 1873478445 YFNLPRIQURTYKP-UHFFFAOYSA-N 444.583 5.767 30 10 IKEE CSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1cn(C)c2ccccc12 1874214825 IDYONTOQCDRNIB-ZVHZXABRSA-N 439.972 5.039 30 10 IKEE C=CCSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1ccc(OCCC)cc1 1874261562 VPQAXVDMZVUMNB-AFUMVMLFSA-N 444.507 5.084 30 10 IKEE COc1cccc(CCc2nnc(SCc3ccccc3)n2/N=C/c2cccc(C)c2)c1 1874310158 HPZXPQQXNDQXCZ-OVVQPSECSA-N 442.588 5.555 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc(OC)c2)n1/N=C/c1c(F)cccc1Cl 1874310490 YEYWTMQWKBOXHX-DHRITJCHSA-N 444.963 5.415 30 10 IKEE C=C(C)CSc1nnc(Cc2ccccc2F)n1/N=C/c1ccc(N(CC)CC)cc1 1874375718 KEYCYHIEOTUAQO-WGOQTCKBSA-N 437.588 5.405 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C/c2ccccc2O)cc1 1874396624 MHJBCYVYYKULQS-YZSQISJMSA-N 428.561 5.252 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2-c2cccs2)cc1 1874425335 CLFKNMYSBCTGPB-FOKLQQMPSA-N 444.944 5.679 30 10 IKEE O=[N+]([O-])c1cccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C2CCCC2)c1 1874452566 BOTPYKAYCCQGKO-YDZHTSKRSA-N 425.489 5.158 30 10 IKEE C=C(C)CSc1nnc(C(C)(C)C)n1/N=C/c1ccc(N(CC)Cc2ccccc2)cc1 1874481615 FUZRWOZWCNKMFN-WPWMEQJKSA-N 447.652 6.153 30 10 IKEE CC(C)COC(=O)CSc1nnc(C2CCC2)n1/N=C/c1c(Cl)cccc1Cl 1874497484 LUDMPHCVBMKCHT-LSFURLLWSA-N 441.384 5.026 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CC2)cc1 1874520740 NLMIGFCRHYJLEH-WGOQTCKBSA-N 428.561 5.882 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CC)nnc2SCCc2ccccc2)cc1OC 1874526635 YELSDOWISLBMJJ-XIEYBQDHSA-N 438.597 5.245 30 10 IKEE Cc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874530875 FUQSZSAVXXVHOX-CVKSISIWSA-N 446.507 5.119 30 10 IKEE CCOC(=O)c1ccc(COc2ccccc2/C=C/C(=O)c2cc(C)cc(C)c2OC)o1 1874585696 APFVHGNCXWLBCH-ZRDIBKRKSA-N 434.488 5.557 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1c(OCCc2ccccc2)ccc2ccccc12 1874589751 BBNDSZLFAVUXDU-ISLYRVAYSA-N 448.606 7.963 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(Cl)c1OCc1cccc(C)c1 1874602586 UNLUCFJFJRTHAM-JLHYYAGUSA-N 442.942 7.285 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)cc1 1874606429 MZBMSIZRLIRFLZ-DTQAZKPQSA-N 448.990 7.475 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OCc1cccc(Cl)c1 1874629680 OLOIXZLBFVZDMV-PKNBQFBNSA-N 434.963 7.057 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OCc1ccc(C(=O)OC)o1 1874635474 QATKVAHPWAWPFX-JXMROGBWSA-N 448.515 5.865 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1OC(=O)c1ccc(Cl)cc1 1874692807 XYQICILCNNNNKF-MKMNVTDBSA-N 442.898 6.617 30 10 IKEE CCc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(-c4ccccc4)cc3)c2)cc1 1874692904 COHYFAKTDQEKNW-DEDYPNTBSA-N 432.519 7.031 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccccc2-c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 1874697786 AAUWTAQONLWXIP-QGOAFFKASA-N 449.462 6.377 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)COCc3ccccc3)c2)c(C)c1C 1874712006 NEMIFXJIDYUTON-WYMLVPIESA-N 430.500 5.330 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OC(=O)c1ccc(F)cc1F 1874716313 MQELJBGILFMVEV-WEVVVXLNSA-N 436.454 6.014 30 10 IKEE C=CCN(CC=C)CCC(=O)c1ccc(NC(=O)COc2ccc(C)cc2C(C)(C)C)cc1 1874751255 ZYUBKGOLGIVXIC-UHFFFAOYSA-N 448.607 5.557 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc(C)cc(C)c3)c(OC)c2)cc1OC 1875103760 NYVOCAAHKMEEMI-RMKNXTFCSA-N 446.499 5.445 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(F)c3)c(OCC)c2)cc1 1875107761 HPSWVHAVAZKMFS-FOWTUZBSSA-N 446.518 6.682 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc(Cl)c1OC(=O)C(C)(C)C 1875108585 VZLDQJKANAKVDJ-CSKARUKUSA-N 430.928 5.903 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3cccc(Cl)c3)cc2OC)cc1 1875121736 FDJBCAPWVPLMOI-XYOKQWHBSA-N 436.891 5.401 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccccc1OC 1875122381 YSRFILWSYMJSDE-ACCUITESSA-N 436.891 5.863 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)cc3)c(OCC)c2)cc1 1875130933 YOBRJHJUALAFFI-LZYBPNLTSA-N 430.500 5.908 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)COCc3ccccc3)c(Cl)c2)c(C)c1 1875131755 MISARQTXYBGQIO-FMIVXFBMSA-N 434.919 5.975 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cncc(C)c3)c(Br)c2)cc1 1875135857 KUXSBAPFQYVVEO-WEVVVXLNSA-N 436.305 5.576 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3Cl)c([N+](=O)[O-])c2)c1 1875139622 RHZLSLIWGNCSMM-PKNBQFBNSA-N 449.890 5.909 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)Cc1ccc(C)cc1 1875140710 UEFCOKBATJBAHL-WYMLVPIESA-N 428.528 6.055 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(F)c3)cc2[N+](=O)[O-])cc1C 1875162534 MTKDILPSFZPSCO-RUDMXATFSA-N 437.398 5.605 30 10 IKEE O=C(Cc1cc(C(F)(F)F)ccc1F)Nc1cc(Br)cc(C(F)(F)F)c1 1889893605 RPTPKYZKHMHKKF-UHFFFAOYSA-N 444.144 5.807 30 10 IKEE Cc1nn(C)c(Br)c1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1891067817 SSLFZHASZYBWKB-CQSZACIVSA-N 439.741 5.151 30 10 IKEE N#Cc1cccnc1OCC1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1 1891647841 IMUILSZUSBRBNM-UHFFFAOYSA-N 448.526 5.100 30 10 IKEE CC(C)(C)OC(=O)N1CCC([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)CC1 1944711763 DHZGLDXULACIQJ-IBGZPJMESA-N 449.979 5.621 30 10 IKEE N#Cc1ccc([C@@H](CCCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)s1 1951656072 XANIZKURPSSJIR-JOCHJYFZSA-N 446.528 5.454 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)C12CCC(NC(=O)OC(C)(C)C)(CC1)C2 2012812753 JRRXBLWLQBGALX-IKJWCUOUSA-N 428.617 5.355 30 10 IKEE Cc1cccc(-c2nn(-c3ccccc3)cc2C=C2SC(=NC3CCCCC3)NC2=O)c1 2040448209 GCHOZDSFKQYFQJ-UHFFFAOYSA-N 442.588 5.740 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)cn1 2050054297 OVNALULTAUTVKI-GOSISDBHSA-N 442.491 5.574 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@H]1C1CC1 2067980310 ORNWBOIYWXFVJL-NBGIEHNGSA-N 441.572 5.418 30 10 IKEE Cc1ccc([C@H](n2nc(C(C)C)c(C#N)c2I)C(C)(C)C)cc1C 2079089327 CBGOSESEPWFQQD-SFHVURJKSA-N 435.353 5.735 30 10 IKEE CCc1nn([C@@H](c2ccc(C3CCC3)cc2)C2(C)CC2)c(I)c1C#N 2079903930 OVIJABXTXJAZHT-IBGZPJMESA-N 445.348 5.579 30 10 IKEE CC(C)[C@@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C2CC2)c(C=NO)c1Br 2079992489 DTBKJERRHWSLIZ-INIZCTEOSA-N 448.258 5.734 30 10 IKEE CC[C@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C2CCC2)c(C#N)c1Br 2080003537 OAZBDOJESROERK-OAHLLOKOSA-N 430.243 5.942 30 10 IKEE C[C@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C2(C)CC2)c(C=NO)c1Br 2080011475 AJHQQRBYYJRQCQ-SECBINFHSA-N 434.231 5.272 30 10 IKEE N#Cc1c(C2CCCCC2)nn(Cc2ccc(C(F)(F)F)c(Br)c2)c1N 2080343226 JSIMTKLNKOCLBK-UHFFFAOYSA-N 427.268 5.214 30 10 IKEE Cc1sc([C@@H](C#N)C(=O)CSc2ccccc2)nc1-c1ccc(Br)cc1 2084273047 DAZMCAKDKIIYRB-KRWDZBQOSA-N 443.391 5.850 30 10 IKEE CC(C)N[C@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)C1CCCC1 2086676601 QLCCHNNMBLKQGO-MUUNZHRXSA-N 432.656 5.071 30 10 IKEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN(C)[C@@H]1CC(C)(C)[C@H]1OCc1ccccc1 2156383631 SVRFVQYWICMEHF-RPBOFIJWSA-N 449.444 5.110 30 10 IKEE CC(C)(C)OC(=O)NCC1(F)CCC(CNc2cccc(Br)c2C#N)CC1 2178646602 SNZVGMKHVURQEC-UHFFFAOYSA-N 440.357 5.156 30 10 IKEE C=CCCCCCC[C@H](NC)[C@@H](O)c1cc(Br)c(Br)s1 2206889942 DMWAIPIRDCTJAO-GXTWGEPZSA-N 425.230 5.421 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1Cc2ccc(Nc3cc(Br)ccc3C#N)cc2C1 2234127253 UADZFZAZVCHGAQ-GOSISDBHSA-N 428.330 5.056 30 10 IKEE C=CCC1([C@@H](NCCC)c2ccc(Br)cc2C)CN(C(=O)OC(C)(C)C)C1 2237560204 QLFBGXJVYBKZDS-IBGZPJMESA-N 437.422 5.611 30 10 IKEE CC[C@@H](C)N(Cc1ccccc1)C(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2247835157 HCVKYTQWRLKRIA-QGZVFWFLSA-N 427.781 5.080 30 10 IKEE Cc1cc(F)c([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)c(F)c1 2283526963 FFYWVWQFSHYSOP-KRWDZBQOSA-N 437.284 6.042 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)C[C@@H](C)CCNC(=O)OC(C)(C)C 2296266140 DVHPTBZUIFGADK-PXNSSMCTSA-N 437.422 5.110 30 10 IKEE ON=Cc1cc(Br)cc(Br)c1OCc1ccc(F)cc1Cl 2296474219 IBNFKCOFGCJNGD-UHFFFAOYSA-N 437.490 5.391 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4ccc(Br)cc4)ccc3C2=O)o1 2296868170 ZSDMNPPEFCYRFQ-UHFFFAOYSA-N 425.234 5.186 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(OCc4ccc(F)cc4)c3C)C2=O)c2ccccc21 2296872129 VLDBJTIDQPKCOH-UHFFFAOYSA-N 427.475 6.304 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 2302797196 YJCGIINLSAQFSH-GUDVDZBRSA-N 449.979 5.667 30 10 IKEE O=C(C=Cc1ccc2noc(-c3ccccc3)c2c1)c1ccc(-c2ccccc2Cl)o1 2314488233 MQNUZBVXIIVPSN-UHFFFAOYSA-N 425.871 7.304 30 10 IKEE CCN1C(=O)C(=C(C)c2ccc(Br)cc2)SC1=Nc1cccc(C(=O)O)c1 2314547967 NOKOBAAQCDOIFR-UHFFFAOYSA-N 445.338 5.161 30 10 IKEE CCOc1cc(C=Nn2c(CC)nnc2SCc2ccc(C)cc2)ccc1OC(C)C 2318574600 OGDMUBFHIFPFEU-UHFFFAOYSA-N 438.597 5.509 30 10 IKEE Cc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2cccc(C)c2)cc1 2318575010 YAJZEBNIRMAJSJ-UHFFFAOYSA-N 426.589 5.855 30 10 IKEE Cc1cc(OCc2cccc(F)c2)cc2c1C(=O)C(=Cc1c(Cl)cccc1Cl)O2 2321888307 DEHPPTOWUZIMGG-UHFFFAOYSA-N 429.274 6.636 30 10 IKEE Cc1ccccc1COc1ccc(C=Nn2c(S)nnc2CCc2ccccc2)cc1 2321958752 CACKGKRDHMRIHD-UHFFFAOYSA-N 428.561 5.122 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=CC=Cc1ccccc1)O3)CN(CCC1=CCCCC1)CO2 2322107720 OZCLMOKPHBOZKZ-UHFFFAOYSA-N 427.544 6.210 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(S)nnc2Cc2ccc(Br)cc2)cc1 2322238819 WPICQLZYGSYLSE-UHFFFAOYSA-N 429.387 5.100 30 10 IKEE CCOc1ccccc1C=C1Oc2c(cc3c(c2C)OCN(CCc2cccs2)C3)C1=O 2322416582 BFZGFRGRFXJCAR-UHFFFAOYSA-N 447.556 5.466 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccccc2OCC(=O)N[C@H](C)c2ccccc2)cc1 2322724852 BRZMICKYMLPWBA-OAQYLSRUSA-N 427.544 5.962 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccccc1OCc1ccc(Cl)cc1Cl 2322845582 QFKKYSPDERTQTI-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE COc1ccc(NN=Cc2cc(Br)c(OC(C)C)c(OC)c2)cc1Cl 2322926731 REZVQHHHGNSCPJ-UHFFFAOYSA-N 427.726 5.353 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1cccc(OCc2cccc(Cl)c2)c1 2323258748 FWGMARMDJOWTRV-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(C)c2)cc(OC)c1OCc1ccccc1F 2323580116 UFIZYQVOFCRUMC-UHFFFAOYSA-N 446.518 6.355 30 10 IKEE O=C(C=Cc1ccc(OCCc2ccccc2)c(Br)c1)c1ccc(Cl)cc1 2323790549 PTTCKXBUSMWLQA-UHFFFAOYSA-N 441.752 6.620 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc3ccccc23)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 2323791098 LYZRKUGMOVGDHI-UHFFFAOYSA-N 443.886 6.877 30 10 IKEE Cc1sc(NN=Cc2ccc(OC(C)C)c(Br)c2)nc1-c1cccs1 2323858410 RTICOSMGBIAIKZ-UHFFFAOYSA-N 436.400 6.176 30 10 IKEE CN(Cc1ccccc1)Cc1c(O)ccc2c1OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2324077479 NNOKWRWBUACABD-UHFFFAOYSA-N 440.326 5.947 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1F 2324107299 AFSRGJNEPVXONA-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OCc3ccccc3)c(OC)c2)c(C)c1C 2324292077 CMACYIFKJPPSAN-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1ccccc1)C2=O 2324510291 LULFLYUDQUFVGO-INIZCTEOSA-N 433.891 5.671 30 10 IKEE CC(C)Oc1ccc(C=C(C(=O)[C@H](C#N)c2nc(C(C)(C)C)cs2)c2ccccc2)cc1 2324515595 BHXBJMFOEMGLCP-QHCPKHFHSA-N 444.600 6.645 30 10 IKEE CC(C)c1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 2324534802 MIDJCYRQXBSEGP-SFHVURJKSA-N 441.383 7.130 30 10 IKEE COc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3cc(C)ccc3OC)cs2)cc1OC 2324572630 XSNRTXNAIPKGQT-SFHVURJKSA-N 434.517 5.034 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc(OCCCCOc3ccccc3)c2C)C1=O 2324583911 QWCZXCGPQQOFKB-UHFFFAOYSA-N 430.500 5.858 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)cc(Cl)c1OCCCO 2324684625 FOKATUPPKJLROO-UHFFFAOYSA-N 440.923 5.558 30 10 IKEE COc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1 2324774129 XBTFRUCOKPBBBZ-SFHVURJKSA-N 438.936 5.679 30 10 IKEE O=C1C(=Cc2c(Cl)cccc2Cl)Oc2cc(OCc3cccc4ccccc34)ccc21 2325272272 LGONIRPQWVHJKB-UHFFFAOYSA-N 447.317 7.342 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCc4ccc(C(=O)OC(C)C)o4)c3C)C2=O)cc1 2325385283 IEOPVJNLOPRJIE-UHFFFAOYSA-N 448.471 5.357 30 10 IKEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccc(C(C)C)cc1 2325513873 NRMVKBUFAABBQI-UHFFFAOYSA-N 437.569 5.827 30 10 IKEE CCCOc1ccc(C=Nn2c(C)nnc2SCc2c(Cl)cccc2Cl)cc1 2325631314 GROJHENHUWTYBQ-UHFFFAOYSA-N 435.380 5.857 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccccc3[N+](=O)[O-])c2)cc1 2325704927 XVEZBVSBKMSYFA-UHFFFAOYSA-N 431.444 5.281 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(F)c(C)c3)c2)cc1 2325711463 RHXDIAXSGSBNTL-UHFFFAOYSA-N 430.519 6.521 30 10 IKEE COc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccccc3C(C)C)ccc2C1=O 2325725999 KEMNCVDCQKOBSR-UHFFFAOYSA-N 443.499 5.452 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C)c(Cl)c4)ccc3C2=O)cc1 2325729067 XNMOXWGRACFSLF-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2cccc(Cl)c2)C3=O)c1C 2325738297 NYRCWHLRQMBJAX-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(F)cc3F)c2)c1C 2325756705 HKRTUXZKOXJUMT-UHFFFAOYSA-N 434.482 6.243 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(F)c(C)c3)c2)cc1C 2325770900 NUBCXWULDYWOFU-UHFFFAOYSA-N 432.491 5.804 30 10 IKEE CCOc1cc(C=Nn2c(C)nnc2SCc2cccc(Cl)c2)cc(Cl)c1O 2326467629 LPLCCUQYGHFKDA-UHFFFAOYSA-N 437.352 5.172 30 10 IKEE Clc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2ccccc2)cc1 2327557914 XDFDLOSSIUOQMX-UHFFFAOYSA-N 434.952 5.685 30 10 IKEE CCCSc1nnc(Cc2ccc(OC)cc2)n1N=Cc1ccc(Br)cc1 2329283085 QXSAHPBVUVVFGT-UHFFFAOYSA-N 445.386 5.024 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccccc3)n2N=Cc2sccc2C)c1 2329889248 CMVGFHCQQDLNEZ-UHFFFAOYSA-N 434.590 5.710 30 10 IKEE C(=Nn1c(CC2CCCCC2)nnc1SCCc1ccccc1)c1c[nH]c2ccccc12 2330275522 FDEUYLRREAWOCR-UHFFFAOYSA-N 443.620 6.099 30 10 IKEE Fc1cccc(C=Nn2c(Cc3cccs3)nnc2SCc2ccc(Cl)cc2)c1 2330422198 FOOJBDOOZCUVNJ-UHFFFAOYSA-N 442.972 5.897 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3cccc(C)c3)nnc2-c2cccs2)c1 2330551961 QSZBOMQAQCQSFD-UHFFFAOYSA-N 448.617 6.278 30 10 IKEE Fc1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2ccc3c(c2)OCCO3)cc1 2330640134 JTHDLSHJCXCPGJ-UHFFFAOYSA-N 446.507 5.030 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(OC)c3)cc2)c1 2330707512 OBSFNACBLNWCJL-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc(C)cc(C)c3)c(OC)c2)cc1C 2330880923 ACWSVHFUCSVYAT-UHFFFAOYSA-N 430.500 5.744 30 10 IKEE CCCCCCOc1ccc(C=Nn2c(SCC)nnc2[C@@H]2CCCO2)cc1OC 2330944220 YHTINAKBPSPHTC-IBGZPJMESA-N 432.590 5.092 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)ccc1OC(=O)COCc1ccccc1 2330950785 IJBQXOJYFKSWOQ-UHFFFAOYSA-N 436.891 5.367 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)Cc1ccccc1F 2331037186 RXGNMADEEPXVTQ-UHFFFAOYSA-N 449.434 5.177 30 10 IKEE C=CCSc1nnc(-c2ccco2)n1N=Cc1ccc(OCc2ccccc2C)cc1 2331214642 CEYXJVYERKZVQH-UHFFFAOYSA-N 430.533 5.586 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3)cc2OC)c(OC)c1 2331293061 MMBBEESGBARRPQ-UHFFFAOYSA-N 446.499 5.065 30 10 IKEE Cc1cccc(CSc2nnc(C(C)(C)C)n2N=Cc2ccc(Cl)c(Cl)c2)c1 2331381086 HGIIIWSREIQEAW-UHFFFAOYSA-N 433.408 6.365 30 10 IKEE CCCCCCC(=O)Oc1c(OC)cc(C=CC(=O)c2ccc(OC)c(F)c2)cc1OC 2331453627 NZYHFWSHWSPJST-UHFFFAOYSA-N 444.499 5.623 30 10 IKEE COC(=O)c1ccc(C=Nn2c(CC(C)C)nnc2SCc2ccc(Cl)cc2)cc1 2331467683 UIAOAMXJEUYKNJ-UHFFFAOYSA-N 442.972 5.091 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2C2CCC2)cc1 2331493000 JODZIDMBYVERNJ-UHFFFAOYSA-N 438.572 6.038 30 10 IKEE CCSc1nnc(C2CCC2)n1N=Cc1c(OCc2ccccc2)ccc2ccccc12 2331507930 UZSJGXMVAUGLPZ-UHFFFAOYSA-N 442.588 6.272 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)CC(C)(C)C 2331507954 YTYDTFCUIUZCPB-UHFFFAOYSA-N 434.576 6.785 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(C)c3)cc2)c(OCC)c1 2331733855 VTMDBLLIJCDZFH-UHFFFAOYSA-N 430.500 5.908 30 10 IKEE CCCOc1ccc(C=NNc2oc(Cc3cccc4ccccc34)nc2C#N)cc1OC 2331932705 OKMNQVHWYXXOPP-UHFFFAOYSA-N 440.503 5.534 30 10 IKEE C[C@@H]1C[C@@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CN(Cc2ccccc2)C1 2339588176 DXCMFJGPQZDSQP-NHXFIMEASA-N 433.405 5.049 30 10 IKEE CSc1ccccc1OCc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1 2377328881 HDZOQGXGHAFCQU-UHFFFAOYSA-N 435.192 5.049 30 10 IKEE COc1ccc(COc2ccc3c(c2)O/C(=C/c2c(Cl)cccc2Cl)C3=O)cc1 2412168 HBBMVCLQIHDTNI-WSDLNYQXSA-N 427.283 6.197 30 10 IKEE C=CCNC(=O)c1cccc2c1N[C@@H](c1ccc3c(c1)c1ccccc1n3CC)[C@H]1CC=C[C@H]21 13642703 VIKGYRWXPGDTTC-AHPZTNMXSA-N 447.582 6.557 30 10 IKEE C=C(C)COc1cccc2c1N[C@H](c1ccc3c(c1)c1ccccc1n3CC)[C@@H]1CC=C[C@@H]21 20685199 RXMVELVCNTVQSB-OHIRSEEMSA-N 434.583 7.596 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccn2)cc1 21228161 ZFRFXBDXOHSVIR-XHCCPWGMSA-N 425.532 5.850 30 10 IKEE CCn1nc(C)c(CN/C(=N/C(=O)c2cccc(C)c2)Nc2ccc(C(C)C)cc2)c1C 32971889 RVZBWMHQRDPBFP-UHFFFAOYSA-N 431.584 5.350 30 10 IKEE CN(C)c1ccc(/C=C\C(=O)c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)cc1 33387685 CNAACLSLMFVRAX-GDNBJRDFSA-N 428.919 5.811 30 10 IKEE C=CCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@H]1c1ccc(OCCCC)cc1 39913406 UHFNWYNCJLIAIK-JOCHJYFZSA-N 437.923 5.665 30 10 IKEE C=CCc1ccc(OCCCCn2c(CCCN3CCCC3)nc3ccccc32)c(OC)c1 39917638 IOEJVXWFQHONCY-UHFFFAOYSA-N 447.623 5.661 30 10 IKEE C=CCc1ccccc1OCCCCn1c([C@H]2CC(=O)N(C3CC3)C2)nc2ccccc21 40183015 JNAWOMFNZACGTO-NRFANRHFSA-N 429.564 5.102 30 10 IKEE CC(C)(C)c1ccc(/C=C2\S/C(=N/N=C\c3cccs3)N(Cc3ccco3)C2=O)cc1 47138017 OMLNVWQJWLTZNF-OHEUIWFYSA-N 449.601 6.145 30 10 IKEE Cc1cc(C)c(/C(CSc2nc3ccccc3[nH]2)=N\Nc2ccc([N+](=O)[O-])cc2)cc1C 59460531 RTJLDGOYXBULPN-NFFVHWSESA-N 445.548 6.005 30 10 IKEE N#Cc1ccc(C(=O)Nc2ccc3c(c2)Sc2ccccc2C(=O)N3C2CCCC2)cc1 64979821 GWNRCHPPASJNJX-UHFFFAOYSA-N 439.540 5.865 30 10 IKEE C=C([C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5)C(C)(C)C 77286672 LONIMXCUBDTSNU-MHZLKSCOSA-N 449.635 5.219 30 10 IKEE in-vitro CCCCCCCCCCCCOc1ccc(NC(=O)c2ccc(C(=O)O)cc2)cc1F 101005727 RNDYDWGOIYVUCA-UHFFFAOYSA-N 443.559 7.076 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S/C1=N/c1cccnc1 101124982 CYJDAFVCRCONCJ-ATAQLJSPSA-N 432.461 5.040 30 10 IKEE CC(=O)/C(=N/Nc1ccccc1Cl)Sc1nnc(-c2ccccc2)n1-c1ccccc1 102576549 LZUWGRSHFSSZJL-QYQHSDTDSA-N 447.951 5.694 30 10 IKEE CCCCCCCN1C(=S)N(c2ccccc2)C(=O)[C@@H]1CC(=O)Nc1ccc(F)cc1 104714236 ZLBPVXZNBAUAAM-NRFANRHFSA-N 441.572 5.127 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccc(OC)cc2)cc1 169926566 MPCGBGHAFRFBJM-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE CCN1C(=S)N[C@@H](c2ccc(OCc3c(F)cccc3Cl)cc2)C2=C1CCCC2=O 169933175 SKDIIXRDUNCCAF-QFIPXVFZSA-N 444.959 5.316 30 10 IKEE COc1cccc(-c2csc(N/N=C\c3cc(Cl)c(OC)c(Cl)c3OC)n2)c1 169941693 UOXFLTFCNDPVCZ-AFPJDJCSSA-N 438.336 5.589 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1cccc(OC(C)C)c1 169979535 OFYXRTXBBFPDNF-DEOSSOPVSA-N 443.499 5.265 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2cccs2)cc1 169983161 GUTWLHNQFHENST-XMMPIXPASA-N 431.557 5.973 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@H]1c1cccs1)c1cc2ccccc2o1 169983368 BEFUOCDQHYUBGT-NRFANRHFSA-N 445.452 5.006 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]2c2ccccn2)cc1 169996487 IWQSDINEJGDXFI-JOCHJYFZSA-N 448.906 5.225 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2c2ccccc2)cc1 170028990 GSHXZXSUFHZPMX-XMMPIXPASA-N 443.499 5.185 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)C)cc2)[C@@H]1c1ccccc1 170048962 HYQJXFWEBDSGTJ-RUZDIDTESA-N 441.527 5.910 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(O)cc1)c1ccc(Cl)c(Cl)c1 170138419 OFAMHNYHXYJTIE-LJQANCHMSA-N 432.303 5.220 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1cccc(C)c1 170141998 NIYZQBPLFLAXBH-XMMPIXPASA-N 441.527 5.712 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@@H]1c1cccc(C)c1 170147448 OSNVZVCWTLRIKM-DEOSSOPVSA-N 435.564 5.896 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2cccs2)cc1 170156225 JPVJBTKVSAUSOO-QHCPKHFHSA-N 447.556 5.937 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccs2)cc1 170157054 LLERKQYIVNCHBU-QFIPXVFZSA-N 433.529 5.410 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(OCC(C)C)cc1 170167293 KNUNBSOYBULGKU-HSZRJFAPSA-N 433.504 5.456 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(OCC(C)C)cc1 170167337 VOFIJDXBNMUGRV-JOCHJYFZSA-N 425.500 5.157 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2)[C@H]1c1cccc(OCC)c1 170218426 QLPJYMDOAIGADN-HSZRJFAPSA-N 437.536 5.253 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2ccccc2)cc1Cl 170227422 WBDUNHHAPOLSBV-JOCHJYFZSA-N 449.890 5.140 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1ccc(F)cc1 170240109 WLIYFMODUHIIMF-DEOSSOPVSA-N 445.490 5.704 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@@H]1c1c[nH]c2ccccc12 170255134 QGGPJFAZSMBBLC-NRFANRHFSA-N 438.911 5.208 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4cc(C)ccc4C)[C@H]3c3ccco3)oc12 170285767 DKOPZEVBNIRKEU-QFIPXVFZSA-N 443.455 5.434 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccco2)cc1 170296791 INLXWOAQCGJUFD-HSZRJFAPSA-N 449.478 5.027 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccco2)c1 170297038 NFGORBQMMDUUOF-VWLOTQADSA-N 441.527 5.554 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2sccc2C)cc1C 170317615 MKIZRRYAQONCSW-NRFANRHFSA-N 439.577 5.675 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(OC(C)=O)cc1 170320214 NWZKXQJUPXSDLX-DEOSSOPVSA-N 443.499 5.144 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccccc2F)cc1Cl 170381045 XGMAVIZNZCAUIF-IBGZPJMESA-N 443.883 5.332 30 10 IKEE CN(C)c1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C(C)(C)C)cc2)cc1 170443620 FEWRSOSWNQAHLS-HSZRJFAPSA-N 444.531 5.426 30 10 IKEE Cc1ccc2oc(-c3ccc(N=Cc4ccc(OCc5ccccc5)cc4)cc3O)nc2c1 254287405 CIIAHVZJUUXQMV-UHFFFAOYSA-N 434.495 6.838 30 10 IKEE CCc1cccc(C)c1NC(=S)NN=C1C(=O)N(Cc2ccc(C)cc2)c2ccccc21 254479608 UMMFCOCAIZSBPS-UHFFFAOYSA-N 442.588 5.103 30 10 IKEE CCCCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N/[C@H](C)c1ccccc1 254513716 HVWLYJFUIWKEQN-GDDHBDRWSA-N 437.634 6.280 30 10 IKEE C[C@@H](ON=Cc1ccccc1OC(F)F)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 254793039 XWEUAZVKUAQIIA-SECBINFHSA-N 437.657 5.626 30 10 IKEE Cc1ccc(COc2ccc(OCc3ccccc3)cc2)cc1B1OC(C)(C)C(C)(C)O1 313747158 BYJHUCKCNNBZGI-UHFFFAOYSA-N 430.353 5.452 30 10 IKEE CCOc1c(Cl)cc(/C=N\n2c(CC)nnc2SCc2ccc(C)cc2)cc1OC 526804285 LVYWBUPLYLIXAE-CFRMEGHHSA-N 444.988 5.384 30 10 IKEE CCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1ccc(OC(C)=O)cc1 526805535 LQNNLNYQYMPEHY-MYYYXRDXSA-N 436.581 5.238 30 10 IKEE CCCOc1ccc(/C=N\n2c(C)nnc2SCc2ccccc2Cl)cc1OC 526815700 KGWZHJCLRBPOHH-QRVIBDJDSA-N 430.961 5.212 30 10 IKEE N#Cc1cccc(C(=O)N(Cc2ccncc2)c2nc3c(C(F)(F)F)cccc3s2)c1 585176469 UWERJDZWFRAPES-UHFFFAOYSA-N 438.434 5.429 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCCCC12CCCC2 698461163 XNWFDYPBTFXORH-QFIPXVFZSA-N 433.390 6.587 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccc(C)cc1Br 698480976 ZQVHOWSXWWMHKN-SFHVURJKSA-N 431.330 5.773 30 10 IKEE CC(C)[C@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 698908290 GYMDTYQJZCSPEP-ROUUACIJSA-N 437.606 5.174 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@]1(C#N)CCCN(C(=O)OCc2ccccc2)C1 720804048 VNYBNTYOIVJUQA-RUZDIDTESA-N 441.572 5.251 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCC[C@@H](NC(=O)OC(C)(C)C)C1 724027654 JKMYHYFMTVQRLM-KOSHJBKYSA-N 429.561 5.466 30 10 IKEE CC(C)(C)OC(=O)NC1CCC(C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)CC1 724084460 ABTNZJHQLCRBSR-UHFFFAOYSA-N 435.590 5.215 30 10 IKEE C=C1CCC(C[C@@H](NCC)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 724570392 QZWVOZLDBCEMFB-DNQXCXABSA-N 429.649 5.126 30 10 IKEE C#CCNC(=S)/C(=C(/O)c1ccc(Oc2ccccc2)cc1)[n+]1ccc(CCC)cc1 759064570 ZCDWWIUCGDTJGL-UHFFFAOYSA-O 429.565 5.153 30 10 IKEE C=CCn1c(SCc2nnc(O)s2)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 1640602651 MDSWARHEGYBWBY-CYBMUJFWSA-N 447.655 5.193 30 10 IKEE N#Cc1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)n(Cc2ccc(Cl)cc2)n1 1859387225 UOVDUZZBGYCAAK-UHFFFAOYSA-N 447.325 6.029 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1861021374 DSNNEIYPSYJRRR-GOSISDBHSA-N 425.957 5.014 30 10 IKEE CCCCCCCCNC(=O)[C@H](NC(=O)/C=C/c1cccc(Cl)c1)c1ccccc1 1861545929 JTAHZLPZPJZNKZ-GQRCBVMOSA-N 426.988 5.687 30 10 IKEE CCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)c1ccc(OCCCC)c(OCC)c1 1861749084 LRAHUGCWRXHLOL-AREMUKBSSA-N 448.648 5.639 30 10 IKEE CCCCCCCCNC(=O)c1cc(CCc2ccccc2)n(Cc2cc(C)ccc2C)n1 1862319642 SCKHSTRIGBWNNP-UHFFFAOYSA-N 445.651 6.424 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2cccc3ccccc23)n(Cc2ccc(Cl)cc2)n1 1862371454 YITPBRXQZSZYMP-UHFFFAOYSA-N 441.962 6.219 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(C(C)C)cc2)n(Cc2cccc(Cl)c2)n1 1862371887 PLSGMJFPPDBBIX-UHFFFAOYSA-N 433.983 6.189 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2Cl)=C(O)C(=O)N1CCOC(C)C 1862379973 PXLOWLZAIBDVAI-FQEVSTJZSA-N 448.346 5.305 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862394621 IFAAVFMFBAIRRP-VWLOTQADSA-N 442.559 6.031 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2ccc(F)cc2)cc1C 1862402420 YCFGSITUXRQFDQ-DEOSSOPVSA-N 445.490 5.230 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccc(Cl)c2)[C@H]1c1ccccc1)c1ccccc1Cl 1862429496 OSLFBVUGIGWXBS-NRFANRHFSA-N 438.310 5.772 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2cccc(OCc3ccccc3)c2)cc1 1862483817 IXMROPCLESLRJW-VWLOTQADSA-N 439.511 5.315 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2cccc(O)c2)cc1 1862531744 BDHIJYSGALXCNQ-RUZDIDTESA-N 441.527 5.350 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)c1 1862559179 JEAROPKJZJDSLI-MZNJEOGPSA-N 442.515 5.007 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2cccc3ccccc23)c1 1862561380 OUTNPJRQNFNLJO-RUZDIDTESA-N 434.495 5.201 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc2cc[nH]c2c1 1862583599 FWJDXMJYYYJDCF-MPBGBICISA-N 443.330 5.852 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1cccc(O)c1 1862598580 TXMLZMKCRJZRSE-LJQANCHMSA-N 432.303 5.220 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccccc2C)cc1F 1862638452 BEANWGZXMAEFBK-OSPHWJPCSA-N 445.490 5.482 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2cccc3ccccc23)cc1F 1862644539 NNZPBQSCZLQLDE-XMMPIXPASA-N 447.506 5.612 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(N(C)C)cc1 1862651052 KIRUKQMAMPNKSZ-DEOSSOPVSA-N 428.532 5.140 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccc1Cl 1862653290 PWHXFEFAQZHERH-HSZRJFAPSA-N 449.934 5.498 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cc(C)ccc2C)c1 1862673054 BFPNOLVBZWPTAQ-DEOSSOPVSA-N 429.491 5.529 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cc(C)ccc2C)cc1 1862673945 HRKVLVJOWXPYQZ-XMMPIXPASA-N 429.491 5.529 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccc(Cl)cc2)cc1 1862674161 KRMOMIJMNSKRBZ-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2cccc(OC)c2)cc1 1862688664 YQJBDPLOPSWEEH-DEOSSOPVSA-N 447.531 5.173 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2c(F)cccc2Cl)cc1 1862692043 BVMUYYPAZVLPSC-HXUWFJFHSA-N 431.891 5.112 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(C(C)(C)C)cc1 1862718951 GEAOVMOHDAVUQR-XMMPIXPASA-N 425.528 5.902 30 10 IKEE N#Cc1ccccc1NC1=C(c2cccc3ccccc23)C(=O)N(c2cccc(Cl)c2)C1=O 1862844027 RYCRSPRKEFDTEP-UHFFFAOYSA-N 449.897 5.761 30 10 IKEE Cc1cc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccccc3F)C2=O)ccc1C(C)C 1862929727 ITOQJGUHPYYJAN-UHFFFAOYSA-N 439.490 5.526 30 10 IKEE C=CCOc1ccccc1OCC(=O)N1CCc2ccccc2[C@H]1CCc1ccccc1 1868119328 QFHXHLVONTXLTD-RUZDIDTESA-N 427.544 5.389 30 10 IKEE C[C@H]1COC[C@H](C)N1c1cc(Nc2ccccc2C#N)nc(-c2ccc(C(C)(C)C)cc2)n1 1868550866 WPYVLBVXTCVRBH-OALUTQOASA-N 441.579 5.670 30 10 IKEE CCCCOc1ccc(-n2nnc(C#N)c2NC(=O)c2ccccc2-c2ccccc2)cc1 1870147020 SXEXDAARWOYKTO-UHFFFAOYSA-N 437.503 5.237 30 10 IKEE Cc1ccccc1-c1ccc(-n2nnc(C#N)c2NC(=O)c2cc(Cl)ccc2Cl)cc1 1870153987 LXMCPSDPSQHCSI-UHFFFAOYSA-N 448.313 5.674 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccccc2C)cn1Cc1ccc(F)cc1 1870627303 JWZRAGKMRDLCME-UHFFFAOYSA-N 432.539 5.097 30 10 IKEE O=C1/C(=C/c2cccs2)Oc2c1ccc1c2CN(CCCc2nc3ccccc3[nH]2)CO1 1871347369 SEOVMQLHRSMFND-XKZIYDEJSA-N 443.528 5.025 30 10 IKEE COc1cccc(/C=C2\Oc3c(cc4c(c3C)OCN(CCC3=CCCCC3)C4)C2=O)c1 1871355091 RJJHOFACZCPHMK-OYKKKHCWSA-N 431.532 5.662 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(C)c(C)c4)ccc3C2=O)c(OC)c1 1871372962 ULMGQRHHMBULQW-MSXFZWOLSA-N 430.456 5.156 30 10 IKEE Cc1c(OC(=O)/C=C/c2cccs2)ccc2c1O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 1871381323 UPSCFKYWLBPYDH-WAYKPHQQSA-N 433.441 5.200 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc(OC(=O)CCc3cccs3)c2C)C1=O 1871391623 AVBYBUBBTAXAAN-JCMHNJIXSA-N 434.513 5.610 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871406068 HIEQWQUBHMVRQG-SMNNTEATSA-N 443.499 5.334 30 10 IKEE Cc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O 1871409300 KUNHLJCDEBYJTJ-SUVVMJBMSA-N 447.918 5.979 30 10 IKEE CCCCCCCCCOc1cc(C)c2c(c1)O/C(=C\c1ccc(OC)c(OC)c1)C2=O 1871429948 VPJDWYYRSSLOJD-UQQQWYQISA-N 438.564 6.758 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OCC(=O)Nc3ccc(C(C)(C)C)cc3)ccc2C1=O 1871445452 XESJZXZJPSQBTP-HMAPJEAMSA-N 447.556 5.988 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871450955 WNGHQBKTUCNQDZ-PKFJFBDISA-N 441.527 6.142 30 10 IKEE C=CCN(CC=C)c1nc(=NCc2ccccc2F)nc(Nc2ccc(CCCC)cc2)[nH]1 1871501051 NHDZYFNLNDNXGD-UHFFFAOYSA-N 446.574 5.309 30 10 IKEE C=CCN([C@H](CC)C(=O)Nc1ccc(Nc2ccccc2)cc1)S(=O)(=O)c1ccccc1 1872149683 NSLXFQIQXKNEEK-XMMPIXPASA-N 449.576 5.024 30 10 IKEE CC(C)(C)N1C[C@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)CC1=O 1872759029 BHAQIJZBRHEXAS-NHCUHLMSSA-N 443.572 5.300 30 10 IKEE N#C[C@@H](C(=O)c1cccc(Oc2ccccc2)c1)c1nc(-c2ccc3ccccc3c2)cs1 1872760816 YGEWXDSOFSLMAZ-VWLOTQADSA-N 446.531 7.246 30 10 IKEE N#C[C@H](C(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc3c(c2)CCCC3)cs1 1872761165 HRQWUSOGMAZKSH-GOSISDBHSA-N 437.908 5.741 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)COc3cc(C)c(Cl)c(C)c3)n2)cc1 1872764759 XIJXRDBEXKHGFF-GOSISDBHSA-N 426.925 5.344 30 10 IKEE CC(C)(C)c1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(Cl)c(Cl)c3)n2)cc1 1872772155 ALDKVIISMZBLDU-QGZVFWFLSA-N 443.399 6.833 30 10 IKEE CCCCCCCOc1ccc(-c2csc([C@H](C#N)C(=O)c3sccc3C)n2)cc1 1872776240 LHGGLRGVGKCHOK-HXUWFJFHSA-N 438.618 7.019 30 10 IKEE N#C[C@H](C(=O)c1ccccc1C(=O)c1ccccc1)c1nc(-c2c[nH]c3ccccc23)cs1 1872777658 SGYMAWRQEZOMHO-OAQYLSRUSA-N 447.519 6.012 30 10 IKEE N#C[C@@H](C(=O)c1ccccc1Cl)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872779257 FRALECZBPCRTQF-FQEVSTJZSA-N 430.916 6.746 30 10 IKEE Cc1ccc(C)c(OCC(=O)[C@@H](C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)c1C 1872780966 NWNRHWCCIDBYLE-OAQYLSRUSA-N 432.589 6.224 30 10 IKEE COc1cc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(F)cc3)n2)c(OC)cc1Cl 1872782057 BUEZBKQXEMFEEH-WHWKNOJMSA-N 442.899 5.509 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)c2ccc(Cl)c(Cl)c2)n1 1872785215 IRARMHXIYZYQPZ-QGZVFWFLSA-N 443.399 7.213 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H](CC)CCCCC)=C(c2ccc(OC)cc2)C1=O 1873142084 DKRDRXADEJPAOY-QFIPXVFZSA-N 442.644 6.084 30 10 IKEE CCCCCCCCCCNC1=C(c2cccs2)C(=O)N([C@@H]2CCCC[C@H]2C)C1=O 1873155912 MGLCOMNJTMCVPC-WOJBJXKFSA-N 430.658 6.137 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(SC)c2)=C(c2ccccc2C)C1=O 1873305405 BOSNKINWMKIHFX-UHFFFAOYSA-N 436.621 6.269 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C)c2)cc2c(N(CCCC)CCCCCC)ncnc21 1873673423 XNRXUHPUDGKYCV-UHFFFAOYSA-N 447.627 6.365 30 10 IKEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3ccc(OC)c(Cl)c3)c(=O)oc2c1 1873937041 XKOZWPBANWYBPU-UHFFFAOYSA-N 441.911 5.290 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SC)n1/N=C/c1ccc(Cl)cc1Cl 1874228153 VJNHTHZICSBEHC-FSJBWODESA-N 449.363 5.333 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccc(C)c(C)c3)n2/N=C/c2ccc[nH]2)cc1 1874329139 YELOIOGAXZZMCR-JVWAILMASA-N 429.593 5.491 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3)n2/N=C/c2cccc(F)c2)c1 1874402336 UGLYGWMYWMATFD-WPWMEQJKSA-N 430.552 5.685 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1cccc(F)c1 1874492596 VDBGLQIRILXGTO-BHGWPJFGSA-N 437.371 6.097 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(SCc2ccc(C)cc2)nnc1C1CC1 1874517246 VSASJACCYZYDME-CVKSISIWSA-N 428.561 5.800 30 10 IKEE Cc1cccc(CSc2nnc(C)n2/N=C/c2ccc(OC(=O)c3ccccc3)cc2)c1 1874530479 LMWNXEAPFQFBER-WGOQTCKBSA-N 442.544 5.289 30 10 IKEE Sc1nnc(C2CCC2)n1/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1874559208 DABDZGJDNUJVJG-FOKLQQMPSA-N 433.364 5.602 30 10 IKEE COc1cccc(/C=N/n2c(S)nnc2[C@H](C)c2ccccc2)c1OCc1ccccc1 1874561074 CLYZCWOVSMCHKH-CVLFLDGLSA-N 444.560 5.188 30 10 IKEE Cc1ccc(C)c(COc2ccc3ccccc3c2/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1 1874569573 AAPIODJJZCEFHT-BUHFOSPRSA-N 437.495 6.840 30 10 IKEE CC(C)(C)c1ccc(OCCCc2nnc(S)n2/N=C/c2ccccc2Cl)cc1 1874570812 KADSHDQVSHCVIV-BUVRLJJBSA-N 428.989 5.412 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Br)ccc2OCc2ccccc2C)cc1 1874572887 KFVLJNATRMEIFI-WYMLVPIESA-N 435.361 6.795 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 1874574012 QFIDBJLKRYQMST-RVDMUPIBSA-N 449.934 7.066 30 10 IKEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1cccc(Cl)c1)Nc1nccs1 1874577497 QCHOEPQNISAGHZ-GQCTYLIASA-N 433.316 5.364 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)N[C@@H](C)c2ccccc2)cc1 1874579178 AQGPEJFAKRRYAQ-XUDAUXSOSA-N 433.935 5.801 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)cc(Cl)c1OCc1cccc(C)c1 1874611161 DQHXZRKSGKKECM-OUKQBFOZSA-N 436.935 6.531 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OCC 1874618199 OLFLGHDEYWTIOV-ACCUITESSA-N 437.580 5.626 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OCC(=O)Nc1ccccc1C 1874620173 MUQOCFDPUDWACJ-UKTHLTGXSA-N 447.506 5.755 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(OC)c(Cl)cc2OC)cc(OC)c1OCC(=C)C 1874631305 VVJYYSOWUNVYIM-MDZDMXLPSA-N 442.939 5.945 30 10 IKEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc1Cl 1874638208 NWJMNXMWPOLQAR-DHZHZOJOSA-N 438.907 5.730 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OC(=O)COc1c(C)cccc1C 1874702954 SCVYSBPHXRCSRZ-GXDHUFHOSA-N 430.500 5.501 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3ccc(Cl)cc3)c2)cc1 1874706000 KSDINNUHCMIMOL-FRKPEAEDSA-N 448.946 6.518 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccccc2)c1 1874712391 VYWCZFZJBOPNFD-ZHACJKMWSA-N 427.283 6.117 30 10 IKEE CC(C)CC(=O)Oc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1Br 1875088616 XNYPRZPQDRLVIV-SOFGYWHQSA-N 432.270 5.205 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OC(=O)C1CCCC1 1875096710 BCQVPESAMWSSGE-SDNWHVSQSA-N 434.532 5.574 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cc(C)ccc3C)c([N+](=O)[O-])c2)cc1 1875100600 INNFUJGPPNOUSR-UKTHLTGXSA-N 443.499 5.818 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(CC)cc2)cc1[N+](=O)[O-] 1875100905 NDGVCNZJDVNUOT-GHRIWEEISA-N 437.536 6.709 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)CCCSC 1875125992 KUZZUGDMTUTGCJ-IZZDOVSWSA-N 434.941 5.302 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3Cl)c(Cl)c2)ccc1F 1875141390 BSMGFOGXMZRHEI-UXBLZVDNSA-N 429.274 6.556 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1cnccn1 1875149290 IIWHZDJFRBKXBN-WUXMJOGZSA-N 430.504 5.288 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2ccc(C)cc2)cc1 1875179479 LVWIENYOQWCABX-JLHYYAGUSA-N 434.919 6.010 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N1CCCCCC1)n2CC 1875201316 NCZBYAHSXMIDEF-UHFFFAOYSA-N 427.637 6.020 30 10 IKEE C=CCn1c(C(=O)N(CCCC)CCCC)cc2c(NCCC3=CCCCC3)ncnc21 1875231602 VOBKULFPEATGJU-UHFFFAOYSA-N 437.632 5.962 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)cc1F 1877010554 AJXXAYPEXWQJEN-ZWKOTPCHSA-N 429.374 5.488 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)C1 1944696675 BNUSNWZWAVYKGH-QFBILLFUSA-N 433.524 5.106 30 10 IKEE CC[C@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1987801858 XDDITQPDNCITMD-VGSWGCGISA-N 435.590 5.167 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 1996784326 QCYDFIYFAHCUEC-XQUALCHDSA-N 428.617 5.021 30 10 IKEE Cc1ccc([C@H](n2nc(C(C)(C)C)c(C#N)c2I)C(C)(C)C)cc1 2079034811 STDIGSDGIPJXAU-KRWDZBQOSA-N 435.353 5.601 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCC2)C12CCCCC2 2083810289 GRFQIWVDASZQCY-VWLOTQADSA-N 447.620 5.772 30 10 IKEE Cn1ccnc1SCC(=O)[C@H](C#N)c1nc(-c2ccccc2)c(-c2ccccc2)s1 2084270822 PWJKZXGLOLCQID-SFHVURJKSA-N 430.558 5.179 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCC[C@H]2CSC[C@H]21 2087834389 SAFKTBKYLJDOGA-NQYLQCIDSA-N 437.403 5.616 30 10 IKEE Cc1sc(C)c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)c1Br 2092954653 ZYDKZIVABAYLEI-OAHLLOKOSA-N 439.350 6.273 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 2094884164 DIUWXLOKQGUMKD-OOWSSMPZSA-N 447.579 5.526 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1ccc2c(c1)OCC2 2149632300 KDPNGIFRBLJREA-SFHVURJKSA-N 429.314 5.390 30 10 IKEE CO[C@@H]1CC(C)(C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2162035657 BWSBEBJJYVDFOF-UTKZUKDTSA-N 437.378 5.678 30 10 IKEE Cc1cc(CNC(=O)OC(C)(C)C)cc(Nc2cc(Br)cc(F)c2C#N)c1 2163691256 FFGLLJHWEJUQKM-UHFFFAOYSA-N 434.309 5.537 30 10 IKEE C#C[C@@]1(Oc2cc(Br)ccc2C(F)(F)F)CCCN(C(=O)OC(C)(C)C)C1 2198815650 OIHKYZFUHHXUKN-GOSISDBHSA-N 448.279 5.250 30 10 IKEE C=C(c1ccccc1)[C@H](NCC)c1ccc(Br)cc1I 2207273385 UNFLXCJQBLSBPU-KRWDZBQOSA-N 442.138 5.418 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Br)cc([C@H](O)C#Cc2ccc(Cl)cc2)c1 2231008911 NKNZUVSUGBNMSC-GOSISDBHSA-N 436.733 5.535 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H](CC(=O)C#Cc1ccccc1Br)C1CCCC1 2235723083 BDUWCZLEPBZJEQ-GOSISDBHSA-N 434.374 5.091 30 10 IKEE CN[C@@H](C#Cc1ccccc1Br)CCCCCCCNC(=O)OC(C)(C)C 2235728370 HEWBEOWKXFGZBI-LJQANCHMSA-N 437.422 5.254 30 10 IKEE CC(C)[C@@H](CCNC(=O)OC(C)(C)C)CCC(=O)C#Cc1ccccc1Br 2235730639 VWAFETOVZJSEQO-QGZVFWFLSA-N 436.390 5.337 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)C(=O)C1=CCC(F)(F)CC1 2237423915 FBJUATKWXJKIOW-INIZCTEOSA-N 444.316 5.200 30 10 IKEE CN[C@H](CC=CC#CC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2248484155 ABCBOBRFMUQKFY-MDNUFGMLSA-N 428.617 5.069 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 2249562389 DYHGDKKDDBNHRK-RSQQPWMTSA-N 447.963 5.231 30 10 IKEE C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2255955487 OQLDGBLHWPOKES-KRWDZBQOSA-N 439.792 5.080 30 10 IKEE Cc1ccc(C(=O)N(Cc2ccccc2)C2CCCCC2)c(B2OC(C)(C)C(C)(C)O2)c1 2267226610 MWOBZNCRGJHCJJ-UHFFFAOYSA-N 433.401 5.269 30 10 IKEE CCCCCCCCOc1ccc(C=C2SC(=Nc3ccccc3Cl)NC2=O)cc1 2296135863 FNBOUBNCTYESDH-UHFFFAOYSA-N 443.012 6.971 30 10 IKEE O=C(C=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 2296817741 BJUUPEVIZOSNSR-UHFFFAOYSA-N 430.372 5.919 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 2297456724 PRLQUNVZZGGPIB-DEOSSOPVSA-N 440.455 5.086 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)C=Cc3ccccc3)c(OC)c2)c(OC)c1 2314429699 MNSCIUQKCIEYPT-UHFFFAOYSA-N 444.483 5.227 30 10 IKEE COc1ccccc1C=C1Oc2cc(OCc3ccc(Cl)cc3Cl)ccc2C1=O 2314438195 KZAVCYFSIIKNPH-UHFFFAOYSA-N 427.283 6.197 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=Nc1nccs1 2314486405 CTMYYQBBSCQGSS-UHFFFAOYSA-N 438.490 5.101 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1ccc(Cl)cc1Cl 2318574491 MHCIRFLFWJZCMT-UHFFFAOYSA-N 447.435 6.719 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2321289329 VYKSGJVAPBDTGP-RBUKOAKNSA-N 445.535 5.249 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)cc1 2321354042 MPWRVGZPCFLOJY-PMACEKPBSA-N 441.572 5.418 30 10 IKEE Sc1nnc(-c2ccco2)n1N=Cc1c(OCc2ccccc2)ccc2ccccc12 2321911885 PESBQNZEZVPQOV-UHFFFAOYSA-N 426.501 5.441 30 10 IKEE Cc1ccc(COc2ccc(C=Nn3c(S)nnc3CCc3ccccc3C)cc2)cc1 2321993823 OHFGOSXLFGSBKW-UHFFFAOYSA-N 442.588 5.430 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(ccc4c3CN([C@@H]3CCCC[C@@H]3C)CO4)C2=O)cc1 2322153141 IBLMHGMXZTYJSH-YADARESESA-N 446.591 5.880 30 10 IKEE CCCCCOc1ccccc1C=Nn1c(S)nnc1COc1ccc(Cl)c(C)c1 2322211003 AXJNUWZVAXUCLO-UHFFFAOYSA-N 444.988 5.559 30 10 IKEE COc1ccccc1CN1COc2c(cc3c(c2C)OC(=Cc2cccc(Cl)c2)C3=O)C1 2322318952 HYWUYDHLWISBFX-UHFFFAOYSA-N 447.918 5.625 30 10 IKEE Cc1cccc(COc2ccc(Cl)cc2C=CC(=O)c2ccc(Br)cc2)c1 2322427406 WXPZRAGKVBASSD-UHFFFAOYSA-N 441.752 6.886 30 10 IKEE CCCOc1c(C=CC(=O)c2cc(C)c(OC)cc2C)cc(Br)cc1OC 2322997536 VRJGJNHXLCJYGD-UHFFFAOYSA-N 433.342 5.768 30 10 IKEE O=C(COc1cccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)c1)NC1CCCCC1 2323150890 UBJZNPRGNQRFPY-UHFFFAOYSA-N 432.347 5.717 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1cc(C)c2c(c1)OC(=Cc1ccccc1)C2=O 2323176545 KAXIXBTUGKQKFN-UHFFFAOYSA-N 428.484 5.684 30 10 IKEE Cc1c(OC(=O)c2c(F)cccc2Cl)ccc2c1OC(=Cc1ccc(F)cc1)C2=O 2323354458 CYKDTSGIEAHNNB-UHFFFAOYSA-N 426.802 5.762 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)C=Cc1ccc(Cl)c(Cl)c1 2323628363 XMTIEOONCJSOBB-OAQYLSRUSA-N 441.443 6.158 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(OC)c1OCc1ccc(F)cc1 2323800863 ZNCDXAQTZDRERN-UHFFFAOYSA-N 436.910 6.691 30 10 IKEE CCCOc1c(OC)cc(C=NNc2nc(-c3c(C)cc(C)cc3C)cs2)cc1OC 2323854398 VJIAAWDKKVDKPO-UHFFFAOYSA-N 439.581 5.987 30 10 IKEE Cc1ccc(-c2csc(NN=Cc3cc(Cl)c(OC(C)C)c(Cl)c3)n2)c(C)c1 2323858081 BDZMRLUJIKJQIC-UHFFFAOYSA-N 434.392 6.967 30 10 IKEE CCCOC(=O)COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1Br 2323943834 ZTPKOXJXOQOVJI-UHFFFAOYSA-N 431.326 5.294 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(O[C@H](C)C(=O)Nc4cc(C)ccc4C)c3C)C2=O)c1 2324463838 MDAYARUBJVCIQF-HXUWFJFHSA-N 441.527 5.942 30 10 IKEE Cc1ccc(OCCCOc2cc(C)c3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1 2324545396 AVPNTIHKKBZURX-UHFFFAOYSA-N 434.919 6.421 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCc4ccc(C(=O)OC(C)C)cc4)c3C)C2=O)cc1 2324607186 OLVLVOBOVZVEJM-UHFFFAOYSA-N 442.511 6.064 30 10 IKEE CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1)OC(=Cc1ccc(N(CC)CC)cc1)C2=O 2325081400 HOBZNTDZRMGTEO-JOCHJYFZSA-N 437.536 5.260 30 10 IKEE CCCCCCCCCOc1ccc2c(c1)OC(=Cc1cn(CC)c3ccccc13)C2=O 2325185379 YGEKVNCRGHPIMT-UHFFFAOYSA-N 431.576 7.407 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccc(C(C)C)cc4)c3C)C2=O)cc1 2325318770 XSXLSWVYYNRMBL-UHFFFAOYSA-N 441.527 6.061 30 10 IKEE COc1ccc(CCC(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c(C)c3)c2)cc1 2325715019 PGNMGEOXYBPUGB-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE O=C(C=Cc1cccc(OC(=O)C23CC4CC(CC(C4)C2)C3)c1)c1ccc2c(c1)OCO2 2325747643 XALNRXRYXIZZSB-UHFFFAOYSA-N 430.500 5.433 30 10 IKEE COc1c(Cl)cc(C=Nn2c(C)nnc2SCc2ccc(F)cc2)cc1Cl 2326238101 FGQVBZHYTRCIAW-UHFFFAOYSA-N 425.316 5.216 30 10 IKEE CCOc1ccc(C=Nn2cnnc2SCc2ccc(C)cc2C)cc1Br 2326432488 KRYNRXVJQTYTAA-UHFFFAOYSA-N 445.386 5.231 30 10 IKEE Cc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccc(C)cc2C)cc1 2326461282 VQNZGCKALHWBQT-UHFFFAOYSA-N 426.589 5.969 30 10 IKEE C=CCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc(F)cc1F 2326619570 LRPSAYGRNCXPRO-UHFFFAOYSA-N 434.515 5.655 30 10 IKEE C=C(C)CSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1cccc([N+](=O)[O-])c1 2328156036 WOKXFYIZIVWJHN-UHFFFAOYSA-N 441.601 6.201 30 10 IKEE Cc1cccc(C=Nn2c(COc3c(C)cccc3C)nnc2SCc2ccccc2)c1 2328558370 ZBUWUYDEPUPHCT-UHFFFAOYSA-N 442.588 5.957 30 10 IKEE COc1ccc(CCc2nnc(SCc3ccccc3)n2N=Cc2cccc(F)c2)cc1 2328577140 YWBZSJQPLDGVQX-UHFFFAOYSA-N 446.551 5.386 30 10 IKEE CCCSc1nnc(CCc2ccccc2OC)n1N=Cc1cccc2ccccc12 2328702573 JEMOGRKCOVMZAY-UHFFFAOYSA-N 430.577 5.609 30 10 IKEE CCCCOc1ccc(C=Nn2c(COc3ccc(C)c(C)c3)nnc2SCC)cc1 2328784557 NELPUVXPCMXVEH-UHFFFAOYSA-N 438.597 5.647 30 10 IKEE Cc1ccc(C)c(CSc2nnc(COCc3ccccc3)n2N=Cc2ccccc2)c1 2329342830 VKPAOFSXDJQONO-UHFFFAOYSA-N 442.588 5.786 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccco1 2329510451 DPKHQROJQKONAK-UHFFFAOYSA-N 436.968 5.793 30 10 IKEE CC[C@@H](C)N(C(=O)C=Cc1cccc(F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2329631982 FWARWOSOBBMECD-CYBMUJFWSA-N 433.367 6.708 30 10 IKEE C=C(C)CSc1nnc(CC2CCCCC2)n1N=Cc1cccc(OC)c1OCC 2330269915 WLSWXICTSGSPFU-UHFFFAOYSA-N 428.602 5.359 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC(C)C)NC(=O)C=Cc1ccc(Cl)cc1 2330372116 BRNUDYLTRQRXFA-QHCPKHFHSA-N 435.052 6.141 30 10 IKEE O=[N+]([O-])c1cccc(C=Nn2c(Cc3cccs3)nnc2SCc2ccccc2)c1 2330390569 JYIFCTKFFDPJJM-UHFFFAOYSA-N 435.534 5.013 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1ccccc1C 2330705301 WUVBRVMNBWMIRB-UHFFFAOYSA-N 426.512 5.998 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)COCc3ccccc3)c(Cl)c2)c1 2330783067 YVTGRFUOFMUOMZ-UHFFFAOYSA-N 436.891 5.367 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3)c(Br)c2)c1 2330784354 XQVZBPAQFKVGOG-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2cccc(OC)c2)cc1OCC 2330792464 LDACQBXSGVKUJK-UHFFFAOYSA-N 444.955 6.519 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)cc3)c([N+](=O)[O-])c2)cc1C 2330866689 GCWIJNNWHZKAGR-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1OCC 2330894328 PPGRUKIKUUQEJE-UHFFFAOYSA-N 431.326 5.840 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Br)cc2)ccc1OC(=O)CC(C)(C)C 2330894341 QTXKCJOWXMKGTM-UHFFFAOYSA-N 445.353 6.086 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2ccc(F)cc2)nnc1[C@@H]1CCCO1 2330910315 LKBRBHCZQHWIBT-NRFANRHFSA-N 440.544 5.232 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3-c3ccccc3)cc2)cc1 2330952936 MZEXPSGEKJQNJM-UHFFFAOYSA-N 434.491 6.478 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)Cc1ccc(Cl)cc1 2331080408 ZKTYRBABPKHKHB-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE COc1ccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2)cc1 2331316097 RDQIZUIIQQVYDQ-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE COc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C(C)(C)C)cc1OC 2331409020 IVPJRDQKFHSOTL-UHFFFAOYSA-N 444.988 5.421 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OC(=O)C1CCCC1 2331443319 MIBZDROBOAZGTQ-UHFFFAOYSA-N 442.895 5.459 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(CC(C)C)n2N=Cc2cccc(Cl)c2)o1 2331451196 ZGUXUPLEOPTYQO-UHFFFAOYSA-N 446.960 5.074 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)cc(Cl)c1OC(=O)c1ccccc1 2331468534 VMJCUKFEBURBRU-UHFFFAOYSA-N 442.898 6.617 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C2CCC2)c1 2331543422 PUQUCLJHCWLBFG-UHFFFAOYSA-N 447.391 6.041 30 10 IKEE COCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(Cl)c(Cl)c1 2331595755 MNFSUQAVOKOIKX-UHFFFAOYSA-N 441.771 5.559 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)c1cccc(F)c1 2331673255 YVUMVIIBZSAZIG-UHFFFAOYSA-N 434.463 5.575 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2C(C)C)cc1 2331689927 YOKFQXGNXUYUPT-UHFFFAOYSA-N 436.625 6.453 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cc(OC)c(OC(=O)C(C)(C)C)c(OC)c1 2331741580 FEDQZOCUKWHRKG-UHFFFAOYSA-N 446.927 5.522 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)c(OC)cc2C)cc(Cl)c1OC(=O)C1CC1 2331851207 QTWAZVFCKPCWDD-UHFFFAOYSA-N 428.912 5.576 30 10 IKEE CCCN[C@H](C#C[C@@H]1CC1(C)C)c1ccc(I)c(Br)c1 2365096572 QYZCHKRQYORLGQ-CZUORRHYSA-N 446.170 5.144 30 10 IKEE O=C1CCCC2=C1[C@H](c1cccc(F)c1)n1nc(SCc3ccccc3Cl)nc1N2 1283582 PLNBLLCZNYBXKP-FQEVSTJZSA-N 440.931 5.385 30 10 IKEE C=CCN(C(=O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)c1ccccc1 11642655 DXQWLSFXVWBTNT-JOCHJYFZSA-N 433.577 5.040 30 10 IKEE COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccncc2)c1 21236217 SHZONUADICXSLJ-MRDQGFSESA-N 427.504 5.078 30 10 IKEE COc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(Cl)cc1 21248787 HZFPRRJNCFQJTQ-WGDIFIGCSA-N 430.935 6.328 30 10 IKEE CCOc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2c1c(C)nn2-c1ccccc1 21658607 NZPAMPAPOOIXTO-DEOSSOPVSA-N 427.548 5.780 30 10 IKEE C=CCn1c(SCc2cccc(C)c2)nnc1-c1cc(-c2ccccc2)nc2ccccc12 25161569 HIIQOUXAWPPVHP-UHFFFAOYSA-N 448.595 6.947 30 10 IKEE COc1cc([C@H]2C3=C(C[C@H](c4ccc(Cl)cc4)CC3=O)Nc3onc(C)c32)ccc1O 28052265 LLRSHVCWDRHYSA-OYHNWAKOSA-N 436.895 5.309 30 10 IKEE N#Cc1c(NC(=O)/C=C\c2ccccc2)n(Cc2ccccc2)c2nc3ccccc3nc12 33897673 NAEICXRISLRCSX-NXVVXOECSA-N 429.483 5.156 30 10 IKEE COc1cc(OC)c(C(=O)/C=C\c2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1 34856869 GMVRRASQHIYZQN-BENRWUELSA-N 434.488 5.196 30 10 IKEE CCOc1ccc2oc(C)c(C(=O)Oc3ccc4c(c3)O/C(=C\c3ccncc3)C4=O)c2c1 35550520 ALIAMASYOCNYRK-FMCGGJTJSA-N 441.439 5.370 30 10 IKEE COc1cc(/C=C2\Oc3ccc(Br)cc3C2=O)ccc1OCc1ccccc1 39842242 QJPABJPRNOHVNK-UUYOSTAYSA-N 437.289 5.653 30 10 IKEE CCCCOc1ccc(/C=C2\S/C(=N/c3cccc(C)n3)N(CC)C2=O)cc1OC 39863315 SCBPLWAYWKUAAQ-UTYGHKOPSA-N 425.554 5.201 30 10 IKEE C=CCN1C(=O)c2[nH]nc(-c3cc(C)cc(C)c3O)c2[C@@H]1c1cccc(OCCCC)c1 39912127 DKADHZBQJBWRFL-DEOSSOPVSA-N 431.536 5.309 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(C)c2)C3=O)cc1OC 41289477 PONJDYNQBPTRED-QRVIBDJDSA-N 430.456 5.156 30 10 IKEE CCCCCCCCCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(F)cc2)c1 98021389 GTDGCKWELWWFHZ-VWLOTQADSA-N 442.600 6.684 30 10 IKEE CCCCCCCCCn1c([C@@H]2CC(=O)N(c3c(C)cccc3C)C2)nc2ccccc21 102201461 PTZBPMSBSKNOEN-HSZRJFAPSA-N 431.624 6.924 30 10 IKEE CCCCCCCCCCCCCCCCCCNC(=O)c1coc([C@@H](N)CCCC)n1 102458086 PIFOAYAODOGDLG-DEOSSOPVSA-N 449.724 7.856 30 10 IKEE COc1ccc([C@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 102603609 XJTAWWFWKDJFSK-VFJWVMJUSA-N 433.891 5.283 30 10 IKEE O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(Cc1ccsc1)CC(F)(F)F 109411410 ACRJYWOLYVUPAO-UHFFFAOYSA-N 435.311 5.990 30 10 IKEE CCOc1ccc(/N=C2\NC(=O)S\C2=C\c2ccc3noc(-c4ccccc4)c3c2)cc1 110567131 MPJUQVQOGMWWRE-PXLXIMEGSA-N 441.512 6.421 30 10 IKEE COc1cc(/C=N/Nc2ccc(C)c(Cl)c2)cc([N+](=O)[O-])c1OCc1ccccc1C 169879454 PNVRUNSZOIKGNL-DHRITJCHSA-N 439.899 5.899 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2cccc(F)c2)cc1 169921652 KDHIZWGEUMMRES-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2cc(C)cc(C)c2)c1 169930379 LSBOWIAONFWXRJ-NRFANRHFSA-N 448.544 5.168 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccc(N(C)C)cc2)cc1 169954156 LUHZVVSSNXWIKR-XMMPIXPASA-N 426.516 5.152 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccc(O)cc2)cc1 169960993 KEVYDWKOIBNCEA-XMMPIXPASA-N 443.499 5.191 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2cccc(C)c2)cc1 169972212 GFTSHZOJUSQAOJ-SANMLTNESA-N 441.527 5.101 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]2c2ccccn2)c1 169996327 DNDZOSRDRBFDER-JOCHJYFZSA-N 448.906 5.225 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2C2CCCCC2)cc1 170031945 GHRLSWPOLJHODO-VWLOTQADSA-N 433.548 5.315 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2ccccc2)c1 170051911 KETFRDIIGUUTQO-HSZRJFAPSA-N 431.919 6.048 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(Cl)cc1 170056578 QEWIMDIHSMYODK-FQEVSTJZSA-N 439.920 5.189 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(Cl)cc2)cc1 170057407 LXVIHAUZQRKHQX-QFIPXVFZSA-N 435.882 5.824 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccccc2F)cc1 170069413 QDHDOBOHBYWRNQ-QHCPKHFHSA-N 442.446 5.099 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cn(C)c3ccccc23)cc1 170085786 ULVIKEBPWWHZRJ-DEOSSOPVSA-N 444.531 5.098 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@@H]1c1ccco1 170092598 KYPSAGZEGDTLEB-HXUWFJFHSA-N 441.842 5.172 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc(F)cc2)=C(O)C(=O)N1Cc1ccc(F)cc1 170108055 LPFKUKMBIZSIRK-IBGZPJMESA-N 425.456 5.113 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)cc(C)c3OC)[C@H]2c2cccs2)c1 170153803 AAUHDTVEPXZCAG-OAQYLSRUSA-N 449.528 5.165 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2cccs2)cc1 170157364 VDOMYEOPVLZXRF-OAQYLSRUSA-N 435.501 5.024 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCCC)[C@@H]2c2cccs2)cc1 170165676 AKHNNWZMFHKHRL-JOCHJYFZSA-N 441.593 6.086 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC)c2)[C@@H]1c1ccc(OCC(C)C)cc1 170167216 FAFAFATVCAWQJH-QHCPKHFHSA-N 437.536 5.108 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccccn2)cc1Cl 170172007 CZAQVYNCCJAKNX-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE Cc1ccc(C2=C(Nc3cccc4ccccc34)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170172224 OGSAPZZOGJUOBR-UHFFFAOYSA-N 429.479 5.417 30 10 IKEE Cc1ccc(-c2csc(C3=C(N)N(c4ccc(Nc5ccccc5)cc4)CC3=O)n2)cc1 170180102 AJTSJVOXJGDSSF-UHFFFAOYSA-N 438.556 5.579 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(C(C)C)cc1 170245319 HIGUGRZOWPQVKC-VWLOTQADSA-N 427.544 6.342 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccccc2F)cc1 170249279 LJGNWZCJWCLRLL-QHCPKHFHSA-N 426.447 5.398 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1F 170253244 OZKILFANOOKKSD-IBGZPJMESA-N 436.310 5.901 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2cccc(F)c2)o1 170299096 NISFUFJZSMMDKW-QHCPKHFHSA-N 427.431 5.663 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1sccc1C 170317929 PHJDHZLONZOWPA-SFHVURJKSA-N 445.924 5.071 30 10 IKEE C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(C(C)C)c3)=C(O)C(=O)N2CCC)c1 170324342 SGLUFMNMQBTCPV-XMMPIXPASA-N 449.547 5.372 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(C)c2)ccc1OC 170336924 FAXVAPYJPVHZPM-XMMPIXPASA-N 443.499 5.185 30 10 IKEE CC(C)Oc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 170347188 LDXBBQQSJXUXET-XMMPIXPASA-N 438.483 5.128 30 10 IKEE Cc1cccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2Cc2ccccc2OC(C)(C)C)c1 170458057 PYUCUVXNEQUUCT-QFIPXVFZSA-N 435.564 5.683 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2nc3ccc(C(C)(C)C)cc3s2)[C@@H]1c1cccnc1 170482012 BSQRGPVWMJHGFC-LJQANCHMSA-N 449.576 5.504 30 10 IKEE CS(=O)(=O)Nc1ccc(/N=C(O)/C=C\c2ccc(-c3cccc(Cl)c3)s2)cc1 206615632 KRBLZMVKAVKCKU-BENRWUELSA-N 432.954 5.741 30 10 IKEE CCC=NNc1ccc(S(=O)(=O)CCCCCCCCCCCCCCCC)cc1 254486601 IGABVRURLYABEO-UHFFFAOYSA-N 436.706 7.749 30 10 IKEE CC(=NOCC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N)c1ccc(C)cc1 254614836 BHUNOURHCFITPO-UHFFFAOYSA-N 449.510 6.173 30 10 IKEE C=C[C@@H]1C=C(COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]2OC(C)(C)O[C@H]12 255995401 PTIHDIXARMLYBE-MWVDVNALSA-N 438.567 6.257 30 10 IKEE Cc1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1B1OC(C)(C)C(C)(C)O1 404994598 XFMAWSPWMIDNCU-UHFFFAOYSA-N 443.352 5.126 30 10 IKEE C=C([C@H](NCCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1)C(F)(F)F 407040059 YHJLFXMFAFLWCS-HNNXBMFYSA-N 437.300 5.955 30 10 IKEE Cc1ccc(SC2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(C)cc3)C2=O)cc1 526662086 LXQREECCXVMPMS-UHFFFAOYSA-N 425.513 5.164 30 10 IKEE Cc1ccc(SC2=C(Nc3cc(F)ccc3F)C(=O)N(c3ccccc3C#N)C2=O)cc1 526663725 UMRIYYCYUWFYGP-UHFFFAOYSA-N 447.466 5.134 30 10 IKEE COc1cccc(/C=N\n2cnnc2SCc2ccccc2F)c1OCc1ccccc1 526802478 IGLGNZWWVUIFRN-VYYCAZPPSA-N 448.523 5.179 30 10 IKEE CCOc1cc(/C=N\n2cnnc2SCc2cccc(C)c2)cc(Cl)c1OCC 526808369 LYCHXPYOYUBADR-MSXFZWOLSA-N 430.961 5.212 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccc(OC)c(O)c1 526811436 KVRNZEXSEZDLPI-QRVIBDJDSA-N 430.961 5.163 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccc(O)c(Cl)c1 526816581 AAEIAJBMJJNXSV-RMORIDSASA-N 439.343 5.557 30 10 IKEE C=CCN(CC=C)C(=O)Nc1cccc(C(=O)Nc2ccccc2Oc2ccccc2)c1 586672682 CEETXUNCRGUTJJ-UHFFFAOYSA-N 427.504 5.937 30 10 IKEE CC(C)C[C@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Br)c2)C1 698496292 HXOLPEIYLOWPFC-VGSWGCGISA-N 435.406 6.689 30 10 IKEE Cc1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2cc(O)ccc2C)cc1 726571394 GJMJWIFWIQXZEV-UHFFFAOYSA-O 436.944 5.145 30 10 IKEE CCN1C(=O)C[C@H](C(=O)Nc2ccc(C)c(Cl)c2)SC1=Nc1ccc(C)c(C)c1 1084526569 NISQJTKWYKNLHH-LJQANCHMSA-N 429.973 5.245 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=Nc1nccs1 1772724676 SNLQKMSYFDMQRE-OYBLBNEUSA-N 438.490 5.101 30 10 IKEE CCCCCCCCn1cc(OCc2cccc(C(=O)OCCC)c2)c(=O)cc1C(=O)O 1857890849 GMIHUYCTKROZFB-UHFFFAOYSA-N 443.540 5.053 30 10 IKEE COc1cc(Br)cc2cc(C(=O)Nc3sc4c(c3C#N)CCCC4)oc12 1859742828 FSLRUDYVYPCCJS-UHFFFAOYSA-N 431.311 5.268 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1861022053 OKMMYEBWOALBNK-SFHVURJKSA-N 425.957 5.014 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 1861221409 ZFCXHBPVEFWKRX-DQEYMECFSA-N 443.676 5.050 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1c(F)cccc1Cl 1861844786 PFMQISBKCOSVLO-OAQYLSRUSA-N 432.967 5.297 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@H]1c1cccc(O)c1 1862390079 VGIMALREZMOSKL-XMMPIXPASA-N 435.564 5.893 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc2ccccc12 1862449079 BMUGDCDYZQNYCJ-QHCPKHFHSA-N 433.935 6.118 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C34CC5CC(CC(C5)C3)C4)[C@H]2c2ccccc2)cc1 1862475023 BAWPYTQHOICJJX-VTQJSVQUSA-N 427.544 5.542 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(N(C)C)cc2)cc1 1862478032 XPJDRWLQZJGCDO-DEOSSOPVSA-N 432.564 5.362 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(Cl)cc2Cl)cc1 1862482887 SKKDJURYHHULGV-OAQYLSRUSA-N 444.358 6.213 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(OC(C)C)c(OC)c1 1862497563 NMDCUOKTYBYKSE-QHCPKHFHSA-N 437.536 5.088 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccccc2F)c1 1862501798 KZJLRHGFMCWIGV-HSZRJFAPSA-N 449.453 5.060 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccc(F)cc2)cc1 1862530652 VGOLRWLSTVDUNP-DEOSSOPVSA-N 435.539 6.079 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862597990 QFNYTZGUCWRICK-DEOSSOPVSA-N 449.547 5.482 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccccc1 1862615281 KQFWBQQWSFNMTK-IHLLOCCUSA-N 431.576 6.141 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccccc2F)C1=O 1862917344 OKPMHSLXNTYLRJ-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2OC(C)C)=C(c2ccc(C)cc2)C1=O 1863266164 MNVCUPSTTDHESH-UHFFFAOYSA-N 448.607 6.335 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccccc2F)=C(c2ccccc2F)C1=O 1863291285 PVCUDVYFASBWRI-UHFFFAOYSA-N 440.534 6.298 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(OCCC)c2)=C(c2cccs2)C1=O 1863470578 QZBBOMSHONVLTG-UHFFFAOYSA-N 440.609 6.089 30 10 IKEE CCCCCCCCCCNC1=C(c2cccs2)C(=O)N(CCCOCCCC)C1=O 1863808726 SUJIVSCSKGEEGA-UHFFFAOYSA-N 448.673 5.765 30 10 IKEE CC(C)[C@@H](CC(=O)N[C@H](C(=O)Nc1ccccc1C#N)c1ccccc1)c1ccc(F)cc1 1866749231 RCXYHQIINQCCIT-BVAGGSTKSA-N 443.522 5.323 30 10 IKEE CCCCCCCCn1cc(OCc2cccc(OC)c2)c(=O)cc1CSCCO 1870165524 SHLWJMYIHLOVAG-UHFFFAOYSA-N 433.614 5.022 30 10 IKEE C#CCOc1cn(CCCCCCCC)c(CNc2ccc(N3CCCC3)cc2)cc1=O 1871007014 HCYBNQGYIFDVHG-UHFFFAOYSA-N 435.612 5.433 30 10 IKEE C#CCOc1cn(Cc2ccc(Cl)cc2)c(CNc2cc(Cl)cc(Cl)c2)cc1=O 1871010413 LNWINJPTWCTLSV-UHFFFAOYSA-N 447.749 5.481 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(Cl)cc1Cl)O3)CN(CCOC(C)C)CO2 1871345319 HBMVKMOMMXGDQS-UKWGHVSLSA-N 448.346 5.495 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3cccc(Cl)c3)CO4)C2=O)cc1 1871348122 RUVCLKGPIRGBLG-FMCGGJTJSA-N 433.891 5.317 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccco1)C3=O)CN(Cc1ccc(OC(C)(C)C)cc1)CO2 1871350274 VWLOCNJOVCDZAL-QRVIBDJDSA-N 445.515 5.734 30 10 IKEE CCOCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(Cl)cc1Cl)C3=O 1871350385 CYLGRYXHGPLCFV-JMIUGGIZSA-N 448.346 5.497 30 10 IKEE COc1ccc([C@@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2cccs2)C4=O)cc1OC 1871354036 FLFKVRDJULXAHA-HQXWYHRWSA-N 449.528 5.295 30 10 IKEE CC(=O)Nc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2Cl)C3=O)c1 1871365012 LCABKCCBPSNNEP-UUYOSTAYSA-N 447.874 5.442 30 10 IKEE Cc1cc(OC(=O)c2cccc([N+](=O)[O-])c2)cc2c1C(=O)/C(=C/c1ccc(Cl)cc1)O2 1871373883 JOKHNIVZTYCTJR-JMIUGGIZSA-N 435.819 5.392 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OC(=O)/C=C/c3ccc(OC)cc3)ccc2C1=O 1871376929 LWXJUQCEDYYOPS-FUPWBYONSA-N 442.467 5.329 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)cc(C)c3C2=O)c1 1871388451 WZYOXDDWSWJKEL-OYKKKHCWSA-N 444.483 5.626 30 10 IKEE Cc1c(O[C@H](C)C(=O)OC(C)C)ccc2c1O/C(=C\c1cccc(Br)c1)C2=O 1871401231 XDVZVADCVAUGJR-AXLWCPOOSA-N 445.309 5.093 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1ccc2c(c1C)O/C(=C\c1ccc(C)cc1)C2=O 1871429578 SKCOKHFGAZCCOG-YMLINEMLSA-N 436.548 6.201 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(C(C)C)cc2)ccc2c1O/C(=C\c1ccccc1F)C2=O 1871435543 QYLYYDLUNXAYDV-OYKKKHCWSA-N 445.490 5.891 30 10 IKEE Cc1cc(OCc2ccc(C(=O)OC(C)C)o2)cc2c1C(=O)/C(=C/C=C/c1ccccc1)O2 1871439417 YFYMTYIVTWJCCD-VQUKJFRASA-N 444.483 5.905 30 10 IKEE CCOc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2C)C3=O)cc1 1871452390 OCFZGAVCEDUEIV-IWIPYMOSSA-N 443.499 5.336 30 10 IKEE C=CCN=c1nc(Nc2ccc(OCCCCCC)cc2)[nH]c(N2C[C@H](C)C[C@@H](C)C2)n1 1871610536 HLZLWPTXERLZSP-WOJBJXKFSA-N 438.620 5.076 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(C)c(Cl)c1)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1871808875 NVUXJPGOMXMJFM-VGSWGCGISA-N 449.016 5.187 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1cc(C)ccc1C 1871895663 ZFCRULQTAZZZCF-QHCPKHFHSA-N 442.625 5.294 30 10 IKEE Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)[C@@H](C#N)c4nc(C(C)C)cs4)cc3C2=O)c1 1872774372 OXRVOKADYCBNOF-LJQANCHMSA-N 443.528 5.174 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@@H](C#N)C(=O)Cc3ccc(C)c(C)c3)n2)c1 1872780367 GRCSSXSBSNTDNZ-NRFANRHFSA-N 434.561 5.643 30 10 IKEE Cc1cc(C)c(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(Cl)cc3Cl)n2)c(C)c1 1872786496 LXNQJTBXTYHMFM-FZMUQLTDSA-N 441.383 6.932 30 10 IKEE CC(=O)Oc1cccc(C(=O)[C@@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)c1 1872788255 YJQVKGYSSKMLEG-MRXNPFEDSA-N 431.300 5.532 30 10 IKEE CCCCCCCCCCNC(=O)c1cccc(COc2ccccc2-c2ccccc2)c1 1872833965 JSCQSNGRYCBZSF-UHFFFAOYSA-N 443.631 7.803 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCCCC)=C(c2ccccc2Cl)C1=O 1873032121 VGEAQNNXBCQFSK-UHFFFAOYSA-N 447.063 6.731 30 10 IKEE C=CCn1c(C(=O)N(CCCC)CCCC)cc2c(N3C[C@@H](C)C[C@@H](C)C3)ncnc21 1873561055 SIZDNEYHBYHORH-BGYRXZFFSA-N 425.621 5.142 30 10 IKEE C=CCn1c(C(=O)Nc2cc(C(C)C)cc(C(C)C)c2)cc2c(NCCCC)ncnc21 1873604302 UBXNYKMYUHMGJU-UHFFFAOYSA-N 433.600 6.328 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(OCCCC)cc2)cc2c(NCCC(C)C)ncnc21 1873611340 VNVXHLGUQSTMHH-UHFFFAOYSA-N 435.572 5.507 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(CC)cc2)cc2c(N(CCCC)CCCC)ncnc21 1873662040 CGZUTYMBKPXPBT-UHFFFAOYSA-N 433.600 5.839 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(OCCCC)cc2)cc2c(N3CCCCC3)ncnc21 1873668754 CEHBFAJCBTWDOM-UHFFFAOYSA-N 433.556 5.039 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1cccc(OC)c1 1874213807 GRKPINJUUMNCHL-LFVJCYFKSA-N 442.972 5.112 30 10 IKEE CCOc1ccccc1OCc1nnc(SCCc2ccccc2)n1/N=C/c1ccco1 1874241382 DHEYRIQGVQKOTL-KOEQRZSOSA-N 448.548 5.066 30 10 IKEE CSc1nnc(CCCOc2ccccc2C)n1/N=C/c1c(Cl)cccc1Cl 1874247922 DFAGGMUEKKTVBV-YDZHTSKRSA-N 435.380 5.509 30 10 IKEE CCCSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1ccc(Cl)cc1 1874259062 MEETYTHHKYYKFV-BUVRLJJBSA-N 428.989 5.847 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccc(OCC)cc1 1874266873 TYKUCJUHYLYQMM-ZMOGYAJESA-N 442.972 5.460 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2)n1/N=C/c1c(F)cccc1Cl 1874315689 FUZBUNROCOVINH-AFUMVMLFSA-N 444.963 5.633 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccc(C)c(C)c3)n2/N=C/c2ccccn2)cc1 1874319006 VNLWFLWTEQZMGR-JFLMPSFJSA-N 443.576 5.352 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1ccc(F)cc1F 1874330188 NOJCLPWQSHYNII-LGJNPRDNSA-N 426.536 5.509 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2cccc(C)c2)cc1 1874349168 XXUSYBWGXKIBRQ-WPWMEQJKSA-N 442.588 5.669 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccccc3)n2/N=C/c2cccc(C)c2)cc1 1874382584 XPRYFQNVKMVROQ-WGOQTCKBSA-N 428.561 5.648 30 10 IKEE CCc1ccc(/C=N/n2c(Cc3ccc(C)cc3)nnc2SCc2ccc(F)cc2)cc1 1874388530 QGHPDZZSBWAKPC-OGLMXYFKSA-N 444.579 6.053 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccccc3F)nnc2-c2cccs2)c1O 1874422273 DDYVNVHEZFVGIJ-FSJBWODESA-N 440.525 5.034 30 10 IKEE C=C(C)CSc1nnc(CC(C)(C)C)n1/N=C/c1ccc(OCCCC)c(OCC)c1 1874438160 MSCFEXQAMOIWBZ-PCLIKHOPSA-N 444.645 5.995 30 10 IKEE COc1cccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2[C@@H]2CCCO2)c1 1874450027 RQDZUURWCZSUHE-LRULAXNGSA-N 444.560 5.466 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2C2CCCC2)cc1OC 1874454631 QPPWQMKEVYZJRU-AFUMVMLFSA-N 440.544 5.267 30 10 IKEE CCc1ccc(/C=N/n2c(CCOC)nnc2SCc2cccc3ccccc23)cc1 1874473799 XSVUVRFVDJBBAV-YZSQISJMSA-N 430.577 5.357 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CCCC)nnc1SCc1ccc(Cl)cc1 1874479469 BJNRCIOWGMLEGY-PCLIKHOPSA-N 441.000 6.013 30 10 IKEE CCCOc1cccc(/C=N/n2c(CC(C)C)nnc2SCc2cccc(F)c2)c1 1874487770 HCVHVRHOMODITB-MFKUBSTISA-N 426.561 5.579 30 10 IKEE Cc1ccc(/C=N/n2c(CC(C)C)nnc2SCC(=O)Nc2ccc(C)cc2C)cc1 1874492075 XWRILSIFHQLUDG-AFUMVMLFSA-N 435.597 5.015 30 10 IKEE C=C(C)CSc1nnc(COC)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1874501396 FUIVFWCCXMJWAH-WYMPLXKRSA-N 442.972 5.207 30 10 IKEE CCCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1/N=C/c1ccc(CC)cc1 1874504266 NXLJWHBAUQJAHA-MFKUBSTISA-N 435.597 5.023 30 10 IKEE CCCSc1nnc(CCC)n1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1874508586 LSZXPHPUOOQIQT-OVVQPSECSA-N 444.604 6.347 30 10 IKEE CC(C)c1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(N(C)C)cc1 1874515381 ZVCMHRIWIPDXMI-WYMPLXKRSA-N 431.968 5.435 30 10 IKEE Clc1cccc(Cl)c1CSc1nncn1/N=C/c1cccc(Br)c1 1874539618 OAAKWKMQBJNREK-ODCIPOBUSA-N 442.169 5.522 30 10 IKEE O=C(/C=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1ccc2ccccc2c1 1874571404 LLOUOFSMDBXKEK-WYMLVPIESA-N 433.334 7.622 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1C 1874591181 XADHEOCUCCJESL-PKNBQFBNSA-N 441.354 7.094 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)cc1OC 1874603444 XBOZXWRMBNGGGH-BJMVGYQFSA-N 426.871 5.971 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2OC)cc(OC)c1OCc1cccc(C)c1 1874611909 XOCDBKJLRYYJFX-CCEZHUSRSA-N 428.528 6.216 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OCC(=O)OCC(C)C)c(Br)c2)c1 1874618147 MCZZYHUDBLQOSW-VQHVLOKHSA-N 445.353 5.540 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 1874629836 XXGKDQWNFVSTTM-CSKARUKUSA-N 441.354 7.094 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2ccc(C)cc2C)cc1OC(=O)C(C)C 1874702118 HVGRNCNOGXXYSU-VQHVLOKHSA-N 431.326 5.532 30 10 IKEE COc1ccccc1C(=O)Oc1cccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1 1874702664 DAIXOJZUFSNLKZ-FMIVXFBMSA-N 427.283 6.117 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OC(=O)COCc1ccccc1 1874703968 PWZCZJAJFJFLKR-XYOKQWHBSA-N 434.463 5.161 30 10 IKEE COc1cc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(F)cc3)c2)c(OC)cc1Cl 1874712228 UTHZDIRZBRADCE-IZZDOVSWSA-N 440.854 5.612 30 10 IKEE COc1ccccc1CC(=O)Oc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC 1874716549 XVSIMIFMNBDEMM-ZRDIBKRKSA-N 444.527 5.673 30 10 IKEE CCCCCCCCC(=O)N1[C@H](C)CSc2nnc(COc3ccccc3Cl)n21 1875057772 KIRFSNGFXNREHN-MRXNPFEDSA-N 437.009 5.220 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CSc3ccccc3)cc2)cc1OC 1875099248 YATLMBDNEYXORL-GXDHUFHOSA-N 434.513 5.298 30 10 IKEE O=C(CCCOc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1 1875117880 WPDUXXBLSRBXLA-LICLKQGHSA-N 431.444 5.256 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)c1ccccc1C 1875147575 AFGXJDZVTQXGJB-DHZHZOJOSA-N 444.483 5.280 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC(=O)C1CCC1 1875150679 ZLSYGNNVUAGLCN-LFIBNONCSA-N 432.560 6.323 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Br)c1OC(=O)C1CC1 1875158696 IWYIPOKXSBYAEH-XCVCLJGOSA-N 433.273 5.198 30 10 IKEE O=C(Cc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1 1875165528 MMTIHQAQDIAYFS-DEDYPNTBSA-N 434.491 6.523 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1ccccc1F 1875170331 RRSLXXDXERKQCT-ACCUITESSA-N 446.518 6.573 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3c(F)cccc3Cl)c(Cl)c2)cc1C 1875175189 CSUNQYHGJRCCEH-JXMROGBWSA-N 443.301 6.865 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)ccc1OC(=O)c1cccc(C)c1 1875190320 SXQNIVXKNUHFKT-ZRDIBKRKSA-N 444.527 6.134 30 10 IKEE N#C[C@@]1([C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCCC12CC2 1875636243 ZRSXTMTZNKRJLW-XRKRLSELSA-N 439.555 6.352 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@H](C#N)C12CC(CCN1C(=O)OC(C)(C)C)C2 1890091079 MJOVLRBBFMDAOY-ABGUIGEDSA-N 441.572 5.105 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)Cc3ccc(Cl)cc3Cl)ccc21 1890582993 MWEJPHRPMNMPBR-UHFFFAOYSA-N 433.335 5.112 30 10 IKEE C=CC[C@H](C)SC(C)(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1892320717 KSODNRGGQYQYHR-KSFYIVLOSA-N 439.577 5.455 30 10 IKEE C[C@@H]1CN(Cc2ccccc2)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1949313084 KBLDBRRFQWTXBF-KBMIEXCESA-N 439.987 5.886 30 10 IKEE CC(=O)N(c1nc(C=CC(=O)c2cc(Cl)ccc2Cl)cs1)c1c(C)cccc1C 2040484132 UXKROIWEFVVRFK-UHFFFAOYSA-N 445.371 6.647 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)CC2CCN(C(=O)OC(C)(C)C)CC2)c1 2045574555 IEMZVWVWJXRLBP-OAQYLSRUSA-N 443.588 5.666 30 10 IKEE CC=C1C(=O)[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@H]3[C@H](C)CCC(=O)OC)[C@@]2(C)CC[C@H](O)C[C@H]12 2054110564 SXDZXAFUWCERDJ-DPCKJDSNSA-N 430.629 5.331 30 10 IKEE Cc1cc(C)c([C@H](C2CCC2)n2nc(C3CC3)c(C#N)c2I)c(C)c1 2079998966 FBNNONYLJYUDIL-FQEVSTJZSA-N 445.348 5.552 30 10 IKEE CC(C)(C)[C@@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)(F)F)c(C(N)=O)c1Cl 2080053343 SPGJVCXMQNVNRU-GFCCVEGCSA-N 445.766 5.448 30 10 IKEE CCOc1ccc([C@H](C2CC2)n2nc(C3CCC3)c(C#N)c2I)cc1 2080101729 JYAAFCKLCPIBPJ-IBGZPJMESA-N 447.320 5.025 30 10 IKEE CCCOc1ccc([C@@H](C2CCC2)n2nc(CC)c(C#N)c2I)cc1 2080125224 CVQVXFIIAUWATJ-LJQANCHMSA-N 449.336 5.100 30 10 IKEE C=CCC1([C@@H](Cc2ccc(Cl)cc2Br)NC)CN(C(=O)OC(C)(C)C)C1 2088513132 WEZXZDYOAAFJOC-QGZVFWFLSA-N 443.813 5.046 30 10 IKEE CCCN[C@]1(C#N)C[C@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)CCC1(C)C 2099190025 SKQAPSAKQHTKLW-PXJZQJOASA-N 446.683 5.461 30 10 IKEE Cc1c([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)c(Br)nn1C 2131586820 VTJMAZHNIKFPEK-OAHLLOKOSA-N 425.371 5.016 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@H](Nc3ccc(C#N)c(Br)c3)C[C@H]21 2166985926 WQRKBCFGRLXZSO-DKSSEZFCSA-N 434.378 5.301 30 10 IKEE C[C@@H]1CCCN(c2cccc(Br)c2C#N)[C@@H]1CCCNC(=O)OC(C)(C)C 2174807911 IBZVXNABKBRNHU-CRAIPNDOSA-N 436.394 5.231 30 10 IKEE CC(C)(C)OC(=O)N1CCc2sccc2[C@@H]1CNc1ccc(C#N)cc1Br 2194005352 IITZDJTWGTZOBA-KRWDZBQOSA-N 448.386 5.329 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(F)c(Br)cc1F 2198195570 KNSKWERAHHWIFC-ROUUACIJSA-N 445.348 5.075 30 10 IKEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21 2261832685 QVXDIXFORIOKSB-AMBDWCSGSA-N 436.548 5.005 30 10 IKEE CCCCCCCCC[C@@](C)(CN)N(CCCNC(=O)OC(C)(C)C)Cc1ccccc1 2263640125 WNAGCRCLKOTROG-MHZLTWQESA-N 447.708 6.262 30 10 IKEE C=CCC1([C@H](NCC)c2sc(Br)c(C)c2C)CN(C(=O)OC(C)(C)C)C1 2265909948 HLORKGQSGLMTOB-MRXNPFEDSA-N 443.451 5.591 30 10 IKEE C=CCCC1([C@H](N)Cc2cc(Cl)ccc2Br)CN(C(=O)OC(C)(C)C)C1 2266313994 ZIIWTRFQLUNWFI-QGZVFWFLSA-N 443.813 5.176 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H](Nc2cccc(Br)c2C#N)C(F)(F)CC1 2284571556 PKTDFLMXLQDWAB-INIZCTEOSA-N 444.320 5.158 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc3c2[C@@H](c2ccc4ncccc4c2)CC(=O)O3)C1=O 2297591487 UTXXZOLHNGBYPU-HXUWFJFHSA-N 449.462 5.301 30 10 IKEE CC(C)(C)OC(=O)NC1([C@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)CCCCC1 2302437782 SAJYWIYHVPKNTN-SFHVURJKSA-N 449.617 5.605 30 10 IKEE O=C(C=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccc(-c2ccc(F)cc2)o1 2314482567 OFYDXLOUQCPNEP-UHFFFAOYSA-N 426.365 7.261 30 10 IKEE CC#CCN(C[C@H](NCC)c1sc(C)c(C)c1Br)C(=O)OC(C)(C)C 2316095909 WYXQPRJQLFTDLF-HNNXBMFYSA-N 429.424 5.038 30 10 IKEE Cc1ccc(C#N)c(Sc2cc(I)ccc2Br)c1 2316388053 QHEXXTZFWUWSTI-UHFFFAOYSA-N 430.108 5.385 30 10 IKEE C[C@@H]1CC[C@H](C#N)[C@@H](Sc2cc(I)ccc2Br)C1 2316473560 XTWYFWMNBOZJEA-BREBYQMCSA-N 436.156 5.474 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1cccc(C(F)(F)F)c1 2318571383 JLWRASFFGOSCEL-UHFFFAOYSA-N 445.297 6.087 30 10 IKEE Cc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCOc2ccccc2)C4)cc1 2322038176 FXIJYOPSOLDVFD-UHFFFAOYSA-N 427.500 5.151 30 10 IKEE CCCNC(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc(-c2ccccc2)cc1 2322305671 GRDQZLLXZXCPHP-UHFFFAOYSA-N 433.935 5.808 30 10 IKEE O=C(C=Cc1c(OCc2ccccc2F)ccc2ccccc12)c1ccc2ccccc2c1 2322318056 AMKVOSZJKLXUQH-UHFFFAOYSA-N 432.494 7.607 30 10 IKEE COc1ccccc1C=C1Oc2c(cc3c(c2C)OCN(Cc2ccc(F)cc2)C3)C1=O 2322348110 DIHIKFZBENAPGS-UHFFFAOYSA-N 431.463 5.111 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(N(C)C)cc1)C3=O)CN([C@H]1CCCC[C@H]1C)CO2 2322391744 BDEVAFHLLCDFFE-HXOBKFHXSA-N 432.564 5.408 30 10 IKEE COc1ccccc1C=C1Oc2c(cc3c(c2C)OCN(CCc2cccs2)C3)C1=O 2322416431 HWICFXNVENNZTP-UHFFFAOYSA-N 433.529 5.076 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(Cl)cc2C=CC(=O)c2ccccc2OC)cc1 2322484060 JGHUBPWGPCPOOL-UHFFFAOYSA-N 449.934 5.825 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc2c(c1)OCO2 2322698929 LGFCRHSXSLDAOX-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OCC(=O)Nc2ccc(C)cc2C)c(Cl)c1 2323701224 STKMEJIZPUMRST-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1cc(C)ccc1C 2323802538 BJHPTAOMAOOBGH-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCCOc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(C)c2)C3=O)cc1 2323829811 YSAGQZVEWPOBOT-UHFFFAOYSA-N 428.484 5.928 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c([N+](=O)[O-])c2)c(C)c1 2323858184 ODOILJKBECKHJI-UHFFFAOYSA-N 432.432 5.595 30 10 IKEE Cc1sc(NN=Cc2cccc(OCc3ccc(Cl)cc3)c2)nc1-c1ccccc1 2323858483 CSAYOJPJKJAWCM-UHFFFAOYSA-N 433.964 6.797 30 10 IKEE CCn1cc(C=C2Oc3c(CN4CCCCC4)c(O)cc(C)c3C2=O)c2cc(OC)ccc21 2323985213 CMQBIRSHPGSIQO-UHFFFAOYSA-N 446.547 5.286 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OCC(=O)NCc3ccccc3)cc2)cc1 2324055352 ZMTCJUXIALKKOM-UHFFFAOYSA-N 427.544 5.575 30 10 IKEE C=C(C)COc1c(Br)cc(C=CC(=O)c2ccc(OC)c(F)c2)cc1OCC 2324120701 WGDNDLRQKIPXCQ-UHFFFAOYSA-N 449.316 5.847 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OCCCOc4cccc(C)c4)c3C)C2=O)c1 2324563783 BPVBCOJEGPGLFS-UHFFFAOYSA-N 430.500 5.776 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCc4cccc(C(=O)OC)c4)ccc3C2=O)cc1 2324745045 CDTHXEXNXHXMBQ-UHFFFAOYSA-N 430.456 5.067 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O 2325092716 XDSFGJUVJNHAHH-QHCPKHFHSA-N 434.532 6.140 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1ccc2c(c1C)OC(=Cc1ccc(F)cc1)C2=O 2325092752 DZJNQAWWPGYHRZ-OAQYLSRUSA-N 440.511 6.031 30 10 IKEE CCCCCCCCCOc1cc(C)c2c(c1)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2325196504 NCKHCGFPNHACCK-UHFFFAOYSA-N 447.402 8.047 30 10 IKEE CCOC(=O)c1ccc(COc2cc(C)c3c(c2)OC(=CC=Cc2ccccc2)C3=O)o1 2325402523 UJCABNNVLJTQBP-UHFFFAOYSA-N 430.456 5.516 30 10 IKEE Cc1ccc2nc(-c3ccc(NC(=O)C(=O)C=Cc4ccc([N+](=O)[O-])cc4)cc3)sc2c1 2325489521 MURKOWJHGPWLPC-UHFFFAOYSA-N 443.484 5.401 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(OCCN4CCCC4)c3C)C2=O)c2cc(OC)ccc21 2325669206 SRQBNDCHFAFLPN-UHFFFAOYSA-N 446.547 5.069 30 10 IKEE Cc1ccc2nc(-c3ccc(NC(=O)C(=O)C=Cc4ccc([N+](=O)[O-])s4)cc3)sc2c1 2325683799 BFYXWWFPJREPPH-UHFFFAOYSA-N 449.513 5.462 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cc(Cl)ccc3Cl)c2)cc1 2325719334 HLSTXSKGRXTKCO-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE COc1ccc(CCC(=O)Oc2cccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 2325722555 ORLLRMCOCFSEDC-UHFFFAOYSA-N 431.444 5.038 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1OC(=O)c1cccc(Cl)c1 2325747072 XJPBAJHPVJPBIC-UHFFFAOYSA-N 436.847 5.193 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)[C@H](C)Oc3ccc(Cl)cc3)c2)cc1C 2325760430 QLELIDGKJDEMJI-IBGZPJMESA-N 434.919 6.226 30 10 IKEE CCCSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1ccccn1 2325884114 WLNHFKQEBWVEBM-UHFFFAOYSA-N 431.565 5.222 30 10 IKEE CCCOc1ccc(C=Nn2c(CCC)nnc2SCc2ccccc2F)cc1Cl 2326272495 YUYIIQZUICEBLW-UHFFFAOYSA-N 446.979 5.986 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccc(OC)c(OCC)c1 2326384925 GFFGWJFFLZWYDT-UHFFFAOYSA-N 438.597 5.511 30 10 IKEE CCCOc1ccc(C=Nn2c(CCC)nnc2SCc2cccc(F)c2)cc1Cl 2326733672 MGXJSAMDTQFHFJ-UHFFFAOYSA-N 446.979 5.986 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(CCc2ccccc2Cl)nnc1SC 2327915482 KSNWCFWMCXEONO-UHFFFAOYSA-N 436.968 5.483 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccc(Cl)cc3)n2N=Cc2ccccn2)c1 2329105286 LJBAGYOBGSLDKL-UHFFFAOYSA-N 447.995 5.709 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2cccc(F)c2)n1N=Cc1cccc(F)c1 2330078307 KKRBVYJUGWTUBZ-QGZVFWFLSA-N 434.515 5.883 30 10 IKEE CCOc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccccc2C)cc1 2330232552 RAAXAJKDGREXSH-UHFFFAOYSA-N 448.636 6.283 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(-c2cccs2)n1N=Cc1cccs1 2330621461 ODBGNQJWXHWHIY-UHFFFAOYSA-N 434.974 6.035 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2cccs2)cc1Cl 2330692821 BTVDDHRVVLGSEJ-UHFFFAOYSA-N 445.400 6.488 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1[N+](=O)[O-] 2330934038 OAHNWRSBGMIOCO-UHFFFAOYSA-N 435.863 5.683 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc(OC)cc1 2330939267 OEYNNCNUUHTHSP-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE C=CCSc1nnc([C@@H]2CCCO2)n1N=Cc1ccc(N(CC)Cc2ccccc2)cc1 2330974465 CWKDTSFDAFCFCR-QHCPKHFHSA-N 447.608 5.316 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)CCCSC 2331156629 NZDVARZVOTYRHQ-UHFFFAOYSA-N 444.980 6.022 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc(C)cc(C)c3)c(Br)c2)cc1 2331273511 KWYPBFSZTIJPTN-UHFFFAOYSA-N 449.344 6.490 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCO4)cc2)cc1 2331434236 KPQICEXTAMXUHG-UHFFFAOYSA-N 428.484 5.412 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1F 2331451237 FYWNTJFZWAQWAJ-UHFFFAOYSA-N 435.407 5.166 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)COc3cc(F)ccc3F)cc2)cc1 2331491491 KSMZNOKRZZTWLQ-UHFFFAOYSA-N 436.454 5.969 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C(C)(C)C)ccc3OC)cc2)c1 2331545965 IXQDQXIGVOZCRF-UHFFFAOYSA-N 444.527 6.117 30 10 IKEE CCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1N=Cc1cccc2ccccc12 2331647002 RTBYWBZCPXJPLV-UHFFFAOYSA-N 448.548 5.328 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C)cc(C)c3OC)cc2OC)cc1 2331673321 HCGLNIQWWZYRNU-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE CCc1ccc(C=Nn2c(SCC(=O)Nc3cccc(C)c3C)nnc2C(C)C)cc1 2331673911 DJHKIYUGEFWUCA-UHFFFAOYSA-N 435.597 5.194 30 10 IKEE CC(C)c1nnc(SCc2ccccc2)n1N=Cc1ccc(OCc2ccccc2)cc1 2331698601 UAYRWHDZCISCEZ-UHFFFAOYSA-N 442.588 6.155 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)c(OC)cc2C)cc(Cl)c1OC(=O)C(C)(C)C 2331851751 MMZXPBPEQRVPJK-UHFFFAOYSA-N 444.955 6.212 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1)c1ccc(F)cc1F 2331859835 QKXICOYSQAZWEE-UHFFFAOYSA-N 433.237 6.387 30 10 IKEE CN(c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2365108760 ZKYODDKGEPBTST-ISKFKSNPSA-N 448.416 5.546 30 10 IKEE CC1(C)OB(C=Cc2ccc(NC[C@@H]3CCCCN(Cc4ccccc4)C3)nc2)OC1(C)C 2365116104 UICWTKVBUGVPAP-DEOSSOPVSA-N 447.432 5.440 30 10 IKEE O=c1c2c(-c3ccc(Cl)cc3)csc2ncn1/N=C/c1ccc(Cl)cc1Cl 1957513 FVNQJZBOHANRCQ-KTZMUZOWSA-N 434.735 5.967 30 10 IKEE Cc1cc(C)cc(NC(=O)c2ccc3c(=O)n(C4CCCCC4)c(SCC#N)nc3c2)c1 9775402 LHDSCSKCFULWAZ-UHFFFAOYSA-N 446.576 5.387 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccc([C@@H](C)CC)cc2)nnc1-c1ccc(Cl)cc1 15276219 GNJHNXNRCJXTKG-INIZCTEOSA-N 441.000 6.029 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3F)nn1[C@@H]2c1ccccc1 20850740 RKBBGNSVUHVKMK-OAQYLSRUSA-N 434.540 5.368 30 10 IKEE CCCOc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(OCC(C)C)cc1)C2 21252038 XVWJTRFOVYVIQB-OFNKIYASSA-N 447.575 5.515 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(OC)cc2)cc1 21260076 UNLGHJDEWVNOHI-PIIWDFAUSA-N 440.543 6.073 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C/c1c(F)cccc1Cl)C2=O)c1ccc2c(c1)OCO2 33653355 VBIYYJYYZRDVIF-UFFVCSGVSA-N 438.794 5.043 30 10 IKEE COc1ccc(/C=C2/Oc3c(ccc(O)c3CN(CC(C)C)CC(C)C)C2=O)cc1OC 37857632 AHWQLNSSMLRXOM-WYMPLXKRSA-N 439.552 5.140 30 10 IKEE O=C1/C(=C/C=C/c2ccccc2)S/C(=N/N=C\c2ccccc2F)N1Cc1ccco1 47138924 MURVIJRDRSWUBC-GQJNEHEOSA-N 431.492 5.482 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccc(F)cc3)c2)cc1 100383853 VNNNXWHNPSXPAD-UHFFFAOYSA-N 448.538 6.680 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)c1cc2ccc(OC)cc2oc1=O 100948103 VJYUIWQRHXNBMF-UHFFFAOYSA-N 443.628 7.013 30 10 IKEE CCCCCCCCCCCCn1c(CCNC(=O)c2ccncc2)nc2ccccc21 102109373 HZHLBZRMYLLTOE-UHFFFAOYSA-N 434.628 6.325 30 10 IKEE CCCCCCCCCCn1c(CCNC(=O)c2cccc(OC)c2)nc2ccccc21 102141466 BZARQFSRIQSJTI-UHFFFAOYSA-N 435.612 6.158 30 10 IKEE CCOc1cc(/C=N\n2c(S)nnc2-c2cccs2)ccc1OCc1ccccc1 169912451 BRZYMTTUTRVMIH-UCQKPKSFSA-N 436.562 5.155 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccncc2)cc1Cl 170021874 WPCNAPBGCHCKDV-HSZRJFAPSA-N 432.907 5.145 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccccc2F)cc1C 170069930 JGARPRXWFZPJJD-XMMPIXPASA-N 429.491 5.842 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2OC)cc1C(C)C 170126011 HSXJGIJWWMWAOI-XMMPIXPASA-N 449.547 5.348 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccc1OC(C)C 170151361 SNYHFXCFRKJTAJ-XMMPIXPASA-N 429.516 5.615 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccs2)c1 170158375 FHBWBUYBQWASJI-QFIPXVFZSA-N 429.497 5.894 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2cccs2)cc1 170158437 VWXBJGNMDQIQMP-JOCHJYFZSA-N 433.529 5.547 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccs1 170162169 OEBQKWQAJYYSOM-UWJYYQICSA-N 439.577 5.111 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccn2)c1 170169718 GDTHIXTYBIYJHR-QHCPKHFHSA-N 446.478 5.038 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccnc2)cc1 170194243 IYYCQPGQELDMTG-DEOSSOPVSA-N 448.563 5.562 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccccc2)c1C 170225745 KGQFXPUOXPAVFT-RUZDIDTESA-N 441.527 5.874 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@@H]1c1ccc(C(C)C)cc1 170245363 VUCAKXFESRFKEU-DEOSSOPVSA-N 435.564 5.814 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)cc(OC)c3o2)[C@H]1c1ccccc1F 170253036 QTGYPUQGONSWBE-LJQANCHMSA-N 443.858 5.222 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1Cc1ccco1 170274003 QBXQWCOZEYRMLK-HSZRJFAPSA-N 431.488 5.154 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2ccc(F)cc2)o1 170299688 ZIRVOYMLSCXKOQ-HSZRJFAPSA-N 427.431 5.663 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2Cc2ccccn2)o1 170307388 PNFJZHUGJDLEIX-QHCPKHFHSA-N 444.531 5.367 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2sccc2C)cc1 170314302 BNLKGKKTFQUNNJ-NRFANRHFSA-N 433.529 5.547 30 10 IKEE CC(=O)Nc1cccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)c1 170470523 KHTVEJGQJNEKFL-JOCHJYFZSA-N 448.563 5.458 30 10 IKEE C=C1SC(=Nc2cccc(OC)c2)N(C(=O)[C@H](c2ccccc2)C2CCCC2)C1(C)C 254567304 RAMYAZFESKGKCS-HSZRJFAPSA-N 434.605 6.524 30 10 IKEE Cc1ccc(N=C2S/C(=C3/Sc4ccccc4N3C)C(=O)N2C2CCCCC2)c(C)c1 254818433 IOOUDWXTOUJXHG-CJKMRZRNSA-N 449.645 6.610 30 10 IKEE Cc1[nH]c2ccccc2c1[C@H]1C(c2ccc(Cl)cc2)=C(O)C(=O)N1c1cccc(C#N)c1 526513998 ABYCOQVATPSZBD-DEOSSOPVSA-N 439.902 6.059 30 10 IKEE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2cccc(C#N)c2)[C@H]1c1ccc(C)cc1 526519938 CVDFQUZILSSIGY-DEOSSOPVSA-N 440.499 5.331 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(OC)c(Cl)c2)c1 526605342 AXFVPUNVOBFTCE-QHCPKHFHSA-N 446.890 5.286 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccc(O)c([N+](=O)[O-])c1 526816410 BFIVIZJYJFGKKY-UUYOSTAYSA-N 445.932 5.062 30 10 IKEE COc1cccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2cccc(F)c2)c1 526825380 DVTFZXIZEXBNGK-QQXSKIMKSA-N 432.524 5.191 30 10 IKEE COc1cc(F)cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)c1 698390056 IDSXTSUKCWLVKQ-SFHVURJKSA-N 435.293 5.603 30 10 IKEE 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)c1cccc(F)c1 698832041 PKEBPCCBJPYDHS-JTFSCDOYSA-N 445.535 5.105 30 10 IKEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@@H](C#N)c1cc(Br)c(Cl)s1 698855237 MPIBJXWIWSCGBN-QMMMGPOBSA-N 433.677 5.528 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@](C)(C#N)c1cc(Br)ccc1F 698863933 XBULXXZFSHXDPE-LJQANCHMSA-N 439.350 5.826 30 10 IKEE C[C@@H]1C[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C 698909849 LFTXZNSEVJHMBY-ZHRRBRCNSA-N 435.590 5.167 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 724066576 CPEOPHDLVICVPL-HOYKHHGWSA-N 429.561 5.324 30 10 IKEE C=CCOC(=O)/C=C\c1cc(Cl)c(OCc2cccc(Br)c2)c(OC)c1 1084334417 GDUHIZRDYFGRQK-FPLPWBNLSA-N 437.717 5.433 30 10 IKEE O=C1C(=NNc2c(F)c(F)c(F)c(F)c2F)c2ccccc2N1C/C=C/c1ccccc1 1084387884 YXOIKRWTWTZPAQ-HQGCUMFGSA-N 443.375 5.258 30 10 IKEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1Nc1cnn([C@@H]2CC2(F)F)c1 1690683318 HIYILSFXLNUHAY-LJQANCHMSA-N 442.514 5.000 30 10 IKEE CC(C)(C)c1ccc(NC(=O)c2nc(C(=O)Nc3ccccc3C#N)n3ccccc23)cc1 1858243391 ZTHINOAHBRZGLS-UHFFFAOYSA-N 437.503 5.008 30 10 IKEE Cc1ccc(N(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CCCC2)c(F)c1 1860419393 BPVNEOVGBIWRRF-UHFFFAOYSA-N 433.367 6.761 30 10 IKEE Cc1ccc2nc(-c3ccc(NC(=O)C(=O)/C=C/c4ccc(C(C)C)cc4)cc3)sc2c1 1860721886 CCUATOGPUFRGNU-VIZOYTHASA-N 440.568 6.616 30 10 IKEE CCOc1ccc(NC(=O)C(=O)/C=C/c2cccc(OCc3ccccc3)c2)cc1OCC 1860729501 IQDPLLDKDNWDJS-FYWRMAATSA-N 445.515 5.284 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2cccc(OCCC)c2)cc1 1862396846 HUSZDSJIFQREQK-XMMPIXPASA-N 433.548 5.559 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@@H]2c2ccccc2)cc1 1862412478 FSMFETBVYKSPMX-FYSMJZIKSA-N 447.481 5.867 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(CC)cc1 1862444634 CNLCKJBEEAMTAR-JOCHJYFZSA-N 425.956 6.061 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccccc2)c1 1862445018 MMAUESXXEOBEBH-JOCHJYFZSA-N 433.891 5.127 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862445624 ZVAAKPAKKVUTLC-JOCHJYFZSA-N 439.939 5.650 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1cccc(Cl)c1)c1cccc(Cl)c1 1862446555 VKZWSVLCHAWUSB-HXUWFJFHSA-N 439.298 5.167 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(F)cc1)c1c(F)cc(F)cc1F 1862457579 SKOYKFYABNELKX-OAQYLSRUSA-N 441.380 5.022 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(C)cc1 1862464841 HHKRQBXYSHOARC-IFXJQAMLSA-N 428.326 5.134 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccc(F)cc2)cc1 1862490399 USYBISJAZIWJDT-XMMPIXPASA-N 429.491 5.529 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccccc2Cl)ccc1F 1862503006 NSOUNCCAYAHGSW-JOCHJYFZSA-N 441.930 6.089 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2[C@H](C)CC)c1 1862546907 ITSCFEYABSNGQM-MZNJEOGPSA-N 433.548 5.341 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc3ccccc23)c1 1862560392 DPQQMABONKFJFS-XMMPIXPASA-N 426.516 5.333 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862562526 HWWZNGQNHCOCOR-IBGZPJMESA-N 432.442 5.056 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc2ccccc12 1862584645 DINXIWCSEMICAI-OAQYLSRUSA-N 438.310 5.911 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1c(Cl)cccc1Cl 1862586370 RNMOXZKZLDGVTJ-INIZCTEOSA-N 445.129 5.898 30 10 IKEE CCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccccc1C 1862589527 MXKHJMQHVLGXNB-VWLOTQADSA-N 449.591 6.420 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1cccc2ccccc12)c1cccc(O)c1 1862593576 VHZGVBBVQOAGAB-RUZDIDTESA-N 435.479 5.324 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 1862663269 QGKQWNDYAWCZSZ-XMMPIXPASA-N 445.946 6.242 30 10 IKEE COc1ccc(C2=C(Nc3ccc4ccccc4c3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862960552 KGWSOIMLQIDQJM-UHFFFAOYSA-N 445.478 5.117 30 10 IKEE Cc1ccc(C)c(NC2=C(c3ccc(F)c(C)c3)C(=O)N(c3ccccc3C#N)C2=O)c1 1863100565 UVMRPJWIEOQVSY-UHFFFAOYSA-N 425.463 5.019 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc3nc[nH]c3c2)=C(c2ccc(C)c(C)c2)C1=O 1863254401 APVIMMODVAKLFO-UHFFFAOYSA-N 444.579 5.732 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccccc3C#N)C(=O)N(C3CCCCCCC3)C2=O)c1 1863408595 LCKKGRZQDWFPMX-UHFFFAOYSA-N 427.548 5.480 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C)c([N+](=O)[O-])c2)=C(c2cccs2)C1=O 1863483816 PMALLFQEKRLHQP-UHFFFAOYSA-N 441.553 5.517 30 10 IKEE CCCCCCCCNC1=C(c2ccc(F)cc2)C(=O)N(CCCc2ccccc2)C1=O 1863511692 DTPOLJAAQAJQIA-UHFFFAOYSA-N 436.571 5.489 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccc(OC)cc2)=C(c2ccc(C)cc2)C1=O 1863621028 BUSJVSNGOPBBSY-UHFFFAOYSA-N 434.580 5.234 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)c2c3c(nc4ccc(F)cc24)CCC3)c1 1866272866 QQFSTQXWSAOMGL-UHFFFAOYSA-N 449.485 5.526 30 10 IKEE CC[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C#N)cc1)c1ccc(Cl)cc1 1866957303 SNNOHLAWKAHNRW-RPWUZVMVSA-N 445.950 5.071 30 10 IKEE Cc1ccc(-c2nc(Nc3ccccc3C#N)cc(N3CCc4ccc([N+](=O)[O-])cc43)n2)cc1 1868327672 ZIOQRAPVOMPNND-UHFFFAOYSA-N 448.486 5.670 30 10 IKEE CC1(C)CN(c2cc(Nc3ccc(C#N)cc3)nc(-c3ccc(F)cc3)n2)c2ccccc21 1868465622 HDMOBSWPXNNKNK-UHFFFAOYSA-N 435.506 6.327 30 10 IKEE CCCCCCCCCCn1cc(OCC(N)=O)c(=O)cc1CSc1ccc(C)cc1 1870185960 TYXIVENEUIMEIY-UHFFFAOYSA-N 444.641 5.454 30 10 IKEE CCCCCCCCCCn1cc(OCCCCC)c(=O)cc1CSc1nccn1C 1870188371 IRMHCPICKHAYGB-UHFFFAOYSA-N 447.689 6.584 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCCC(C)C)c(=O)cc1CSC(C)C 1870306265 CRWRECXJRDVJLP-UHFFFAOYSA-N 439.662 5.819 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2)c(=O)cc1CN1C[C@@H](C)C[C@@H](C)C1 1870468668 OAYQRKLLWTXNOU-PSWAGMNNSA-N 438.656 6.266 30 10 IKEE C#CCOc1cn(CCCCCCCCCC)c(CNc2ccc3c(c2)OCO3)cc1=O 1871005903 FVLMZUBTNRAUQZ-UHFFFAOYSA-N 438.568 5.342 30 10 IKEE CCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CNc1ccc(Cl)c(C)c1 1871258244 OPWFHCQQJIAJPF-UHFFFAOYSA-N 447.063 7.208 30 10 IKEE Cc1cc(OC(=O)c2ccc(OCC(C)C)cc2)cc2c1C(=O)/C(=C/c1cccs1)O2 1871383265 NARHAUDQZCOLKR-XKZIYDEJSA-N 434.513 5.927 30 10 IKEE Cc1c(OC(=O)/C=C/c2ccccc2)ccc2c1O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 1871385375 POXTVJHJIGIEIK-OVXMHFCVSA-N 427.412 5.138 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)c4cccc(OC(C)C)c4)ccc3C2=O)cc1 1871387407 TUZMICHWHHOWQJ-QFEZKATASA-N 444.483 5.708 30 10 IKEE O=C1/C(=C/c2ccccc2F)Oc2c1ccc(O)c2CN1CCC(Cc2ccccc2)CC1 1871395448 RUHZFYYJEGSCOA-ONUIUJJFSA-N 443.518 5.602 30 10 IKEE CCOc1ccccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1sccc1C)C2=O 1871418544 ZCLNXUDMFXCNBO-BKUYFWCQSA-N 449.528 5.397 30 10 IKEE Cc1cc(OCCC(=O)Nc2ccccc2)cc2c1C(=O)/C(=C/c1ccccc1Cl)O2 1871446606 GBQKPEATQKVPSA-HMAPJEAMSA-N 433.891 5.672 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OCC(=O)Nc3ccccc3C(C)C)ccc2C1=O 1871456279 WOFAMOQQSZWSNW-XKZIYDEJSA-N 433.529 5.814 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(Cl)cc2)[nH]c(N2C[C@H](C)O[C@@H](C)C2)n1 1871524119 RPQMQTFZPVHLNW-ROUUACIJSA-N 447.027 5.077 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(C(C)C)cc1)c1ccccc1)S(=O)(=O)c1ccccc1 1871843607 HKTWZSMBUPWGDZ-VWLOTQADSA-N 448.588 5.367 30 10 IKEE C=CCN([C@@H](CCC)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1ccc(C)cc1 1872219157 CRTPTSBOXBMCGN-QHCPKHFHSA-N 442.625 5.277 30 10 IKEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1cc(C)ccc1C 1872496046 AYCUVUNEVROKQH-NRFANRHFSA-N 449.016 5.249 30 10 IKEE C=CCOc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2ccc(CCCC)cc2)cs1 1872765863 YJBNGRKIKCQWOZ-OAQYLSRUSA-N 446.572 5.973 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3c(C)cccc3C)n2)cc1 1872768414 RUAPUMNPYCAWQX-NRFANRHFSA-N 434.561 5.861 30 10 IKEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccc(C(C)(C)C)cc3)n2)c(C)c1 1872769339 PLTHIKUWBQPPAJ-QHCPKHFHSA-N 446.616 6.760 30 10 IKEE N#C[C@H](C(=O)C12CC3CC(CC(C3)C1)C2)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872770036 HOAJZZOFEFUSQH-CPUAJEGOSA-N 431.388 6.510 30 10 IKEE CC(C)(C)c1ccc(-c2csc([C@@H](C#N)C(=O)Cc3cc(Cl)ccc3Cl)n2)cc1 1872772812 HUJWOGZOVHYRDO-SFHVURJKSA-N 443.399 6.833 30 10 IKEE CC(C)(C)c1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1 1872777599 RKFUSHADMXDDNG-XEDBTPMOSA-N 425.557 6.479 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(C)cc3)n2)c1 1872781512 VSWGVNVVBWRVSJ-XMZCSZCVSA-N 432.545 5.806 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc2nc(COc3ccccc3CC)[nH]c2c1 1872811076 IYZGPEZJGMUCTM-UHFFFAOYSA-N 435.612 6.575 30 10 IKEE C=CCc1ccccc1OCc1ccc(C(=O)Nc2ccc(C(=O)OCCCC)cc2)cc1 1872859426 QEKVQYHSWMALTN-UHFFFAOYSA-N 443.543 6.203 30 10 IKEE C=CCN1C(=O)C(NC2CCCCCCCCCCC2)=C(c2ccccc2Cl)C1=O 1873032318 NTZHCYKPQNYNCG-UHFFFAOYSA-N 429.004 5.869 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2cccnc2)=C(c2c(C)cc(C)cc2C)C1=O 1873116069 WMPGUNMRJNPIJC-UHFFFAOYSA-N 433.596 5.237 30 10 IKEE C=CCN1C(=O)C(N[C@@H](CC)CCCCC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166824 IQELXDAIYSKNLY-QFIPXVFZSA-N 433.596 5.309 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(CCCC)cc2)=C(c2ccc(-n3cccc3)cc2)C1=O 1873203229 GCRVEUYHSJPTBG-UHFFFAOYSA-N 425.532 5.198 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(N(C)C)cc2)cc2c(N(CCCC)CCCC)ncnc21 1873662263 IXJKGIVDKHDDAI-UHFFFAOYSA-N 448.615 5.342 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1cccs1 1874207921 YSYLLEPPHRQLRS-RGVLZGJSSA-N 433.400 5.243 30 10 IKEE C(=N/n1c(CC23CC4CC(CC(C4)C2)C3)nnc1SCc1ccccc1)\c1ccccc1 1874243635 PRCGUCZUQPXDLM-MTDXEUNCSA-N 442.632 6.212 30 10 IKEE CCCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccc(N(C)C)cc1 1874255606 KVHYYJPVWKMEBE-MFKUBSTISA-N 437.613 5.233 30 10 IKEE CCCCC1CCC(c2nnc(SCc3cccc(C)c3)n2/N=C/c2cccnc2)CC1 1874285268 BZLLJCFWKVEOMM-MTDXEUNCSA-N 447.652 6.620 30 10 IKEE CCCOc1ccccc1/C=N/n1c(Cc2ccc(OCC)cc2)nnc1SCCC 1874304297 RDDOFVWTEAQCKC-XIEYBQDHSA-N 438.597 5.441 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2cccc(F)c2)c(C)c1 1874327625 VAWITNQSKVMDGD-JFLMPSFJSA-N 446.551 5.788 30 10 IKEE CCCOc1ccccc1/C=N/n1c(CCc2ccc(C)c(C)c2)nnc1SCCC 1874331688 ZTHYBUXLVPVKRB-NLRVBDNBSA-N 436.625 5.853 30 10 IKEE C=CCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc(Cl)cc1Cl 1874343044 VXLNCFXLTMZWAN-FSJBWODESA-N 437.783 5.989 30 10 IKEE COc1ccc(Cc2nnc(SCc3cc(C)ccc3C)n2/N=C/c2ccccn2)cc1 1874349228 APCVGXYDBCUTEX-JVWAILMASA-N 443.576 5.064 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2C)n1/N=C/c1ccc(OCCC)cc1 1874362754 VFQNHHIDJKWQCI-YZSQISJMSA-N 434.609 5.711 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)cc3)n2/N=C/c2ccccc2F)cc1 1874387523 RCOCSDIFPCUQDU-JVWAILMASA-N 430.552 5.799 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C/c2ccc(O)cc2)cc1 1874396789 QPXGSONLHMUCCF-YZSQISJMSA-N 428.561 5.252 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(Cc3cccs3)nnc2SCc2ccc(F)cc2)c1 1874410174 GVVVBHXBSRXDLE-ZMOGYAJESA-N 438.553 5.258 30 10 IKEE CC(C)(C)c1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2-c2ccccc2)cc1 1874426892 GFXWPJZCBDCKEP-OGLMXYFKSA-N 444.579 6.556 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2F)n1/N=C/c1cc(Cl)ccc1O 1874438838 WKJXDVJRDQBMCE-WYMPLXKRSA-N 432.952 5.539 30 10 IKEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3cccc(C)c3C)nnc2-c2ccco2)cc1 1874464518 NQKXRDUZFRUBDE-AFUMVMLFSA-N 445.548 5.076 30 10 IKEE CCc1ccc(/C=N/n2c(CC(C)C)nnc2SCC(=O)Nc2ccc(C)cc2C)cc1 1874492635 WXPVLVZFCVFKRW-CVKSISIWSA-N 449.624 5.269 30 10 IKEE CCCOc1ccc(/C=N/n2c(CC)nnc2SCc2ccccc2C)cc1OCC 1874522220 IIBLBCGSSHMCCO-PCLIKHOPSA-N 438.597 5.511 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(OC)cc1OC 1874526040 OPWBWOFBIKLKFX-MFKUBSTISA-N 432.549 5.185 30 10 IKEE Cc1ccc(COc2ccccc2/C=N/n2c(S)nnc2[C@H](C)c2ccccc2)cc1 1874561150 GCXVMKPSEVSPCG-DZTFFZQKSA-N 428.561 5.488 30 10 IKEE Cc1ccc(COc2ccccc2/C=N/n2c(S)nnc2Cc2ccc(C)c(C)c2)cc1 1874562110 CEZNNWSQRCBAQG-JVWAILMASA-N 442.588 5.544 30 10 IKEE Oc1ccc2ccccc2c1/C=N/n1c(S)nnc1COc1ccc(Cl)cc1Cl 1874569250 NYLSUZPOUVSHDM-AUEPDCJTSA-N 445.331 5.194 30 10 IKEE O=C(COc1ccccc1/C=C/C(=O)c1ccc2c(c1)CCCC2)Nc1ccc(F)cc1 1874571947 OPIPBMSDIJWOJR-LFIBNONCSA-N 429.491 5.618 30 10 IKEE CCCOc1c(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc(Br)cc1OC 1874573529 SGIUQPAYABUTOY-QPJJXVBHSA-N 444.152 6.449 30 10 IKEE COc1cc(Br)cc(/C=C/C(=O)c2ccccc2)c1OCc1ccc(C)cc1 1874577800 GPKFLCALKBCONK-OUKQBFOZSA-N 437.333 6.241 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)c1 1874580235 DKBOUKBMZXVJJM-RMKNXTFCSA-N 445.773 7.739 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2c(OCc3cccc4ccccc34)ccc3ccccc23)c1 1874580298 HIDIOHCPRNQFRU-ISLYRVAYSA-N 442.558 8.085 30 10 IKEE Cc1ccc(NC(=O)COc2ccccc2/C=C/C(=O)c2c(C)c(C)cc(C)c2C)c(C)c1 1874586992 PHGGYZRQXUXWRU-WYMLVPIESA-N 441.571 6.451 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(OC)c1OCc1ccc(F)cc1 1874609054 VMXLQVZSVOOGTN-FMIVXFBMSA-N 426.871 5.971 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OCc2cccc3ccccc23)c([N+](=O)[O-])c1 1874611769 UURPSHKHVRYIEF-FYWRMAATSA-N 439.467 6.232 30 10 IKEE CC(C)COC(=O)COc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1Cl 1874622270 VKCYVIRXUKRNQA-WUXMJOGZSA-N 428.956 6.112 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(OC)c1OCc1ccc(F)cc1 1874626231 SCAIIHJHYSNVGG-BJMVGYQFSA-N 428.406 5.596 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3c(C)cccc3C)c2)cc1C 1874696555 ZRMYKJUEVWUPCK-ACCUITESSA-N 430.500 5.501 30 10 IKEE COc1cccc(C(=O)Oc2cc(/C=C/C(=O)c3cc(C)ccc3OC)ccc2OC)c1 1874704112 XBVMYEQNFNEQPK-PKNBQFBNSA-N 432.472 5.136 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1OC(=O)c1cccc(Cl)c1 1874710548 FFAPJAIPXYWPTB-PKNBQFBNSA-N 448.946 6.698 30 10 IKEE C=CCN(CC=C)CCC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 1874752514 FURWNFRUMBFKSD-UHFFFAOYSA-N 447.362 5.258 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1cnc(C)cn1 1875098207 XVLDQLWRRVMPNI-XYOKQWHBSA-N 442.515 5.178 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OC(=O)Cc1ccc(F)c(C)c1 1875110671 WHNXOJZRIMWQQF-DHZHZOJOSA-N 438.882 5.840 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)CCc1ccccc1C 1875117664 GXWOUPIEIRCWFJ-VGOFMYFVSA-N 445.471 5.346 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)Cc2ccc(C)c(C)c2)c(Cl)c1 1875118992 YNBHMQHEMNVZMF-ZRDIBKRKSA-N 434.919 6.010 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])c(Cl)c1)c1ccc(F)cc1F 1875120676 FAQXAZYFUZYUSM-WEVVVXLNSA-N 443.789 5.642 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2[N+](=O)[O-])cc1 1875126769 BSJOCGCMLADIJU-GXDHUFHOSA-N 431.444 5.038 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2-c2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 1875127181 RMAWUBLTTAPGPW-BMRADRMJSA-N 449.462 6.377 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)cc3)c([N+](=O)[O-])c2)c(C)c1 1875134664 DTURSYXAYLVJDB-NYYWCZLTSA-N 435.863 5.980 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Br)c1OC(=O)c1ccco1 1875137018 RPQXVKNFRYEFJM-JXMROGBWSA-N 441.277 5.474 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2)ccc1F 1875141063 LQYXKFGAUHMPAO-ONNFQVAWSA-N 444.458 5.396 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1ccc(C)c(C)c1 1875142727 QYCLXVXLCDILTH-KPKJPENVSA-N 432.491 6.265 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cc(Cl)c(OC(=O)C(C)(C)C)c(OC)c2)c1 1875144640 XZABPQWIKYDADF-VQHVLOKHSA-N 432.900 5.213 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1OC 1875152233 KQYKGMVGOFDUMH-JLHYYAGUSA-N 438.520 5.976 30 10 IKEE O=C(Cc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1Br 1875158103 FQMYKRCZPGYAAO-WUXMJOGZSA-N 439.280 5.632 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)Cc1cccs1 1875160074 YXFFBMIFFPTBPY-BJMVGYQFSA-N 444.911 5.984 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)c1ccc(C)cc1 1875177114 VPSWTMOAUFKVDZ-RVDMUPIBSA-N 440.539 6.464 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3cc(C)c(OC)cc3C)cc2)cc1 1875187297 XQPAKHOFACUPDE-NTEUORMPSA-N 430.500 5.365 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)c1ccccc1F 1875190100 COIHWYWHQKIBIU-UXBLZVDNSA-N 445.273 6.256 30 10 IKEE C=C(COCc1ccccc1)[C@H](CCc1cccc(NC(=O)OC(C)(C)C)c1)NCCC 1922054970 NWGFDVLLVQKNLV-VWLOTQADSA-N 438.612 6.107 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@@H]1Nc1ccc(Br)c(C#N)c1 1924929311 URKITNYKQCLLNY-RDTXWAMCSA-N 434.378 5.206 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@](C)(CC(F)(F)F)NC(=O)OC(C)(C)C 2006524887 XRKZIAKNLFUSCU-SIKLNZKXSA-N 444.538 5.363 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C2(CC2)C1 2013251245 WHWNIXKCXXQGMP-DEOSSOPVSA-N 427.545 5.111 30 10 IKEE CCCCCCCCC[C@H](CN)N(Cc1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 2018791054 YGMCXWUZFKIPRW-HSZRJFAPSA-N 431.665 5.576 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@H](C#N)[C@]1(C)CCCN1C(=O)OC(C)(C)C 2020807462 VYFLJGNISRVXGN-DVECYGJZSA-N 435.609 5.628 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2070602159 FJFWPASTEWYHHX-MZNJEOGPSA-N 447.551 5.497 30 10 IKEE CC[C@@H](c1ccc(C2CC2)cc1)n1nc(C(C)C)c(/C=N/O)c1I 2079023132 NTJKZDVSUGRKET-RYFGYPJOSA-N 437.325 5.296 30 10 IKEE CC[C@@H](c1ccc(SC)cc1)n1nc(C(C)C)c(C#N)c1I 2080106030 SAQAJYIMGCXPEY-HNNXBMFYSA-N 425.339 5.204 30 10 IKEE Cc1ccc(CN(Cc2ccccc2)CC2CCCCC2)cc1B1OC(C)(C)C(C)(C)O1 2095821995 WLNZGXRGQDORIU-UHFFFAOYSA-N 433.445 5.877 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)c(Br)c1F)NCCC 2126700915 SCOHDCAXZCVBHV-GJZGRUSLSA-N 449.792 5.232 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)C1([C@H]2CCCCO2)CC1 2164393167 CEUGEIWZJSLWFI-QZTJIDSGSA-N 435.362 5.432 30 10 IKEE CC(C)(C)OC(=O)NCCCc1ccccc1Nc1ccc(C#N)cc1Br 2207178432 YCUMQVAUCOYBCP-UHFFFAOYSA-N 430.346 5.522 30 10 IKEE CN[C@@H](C#Cc1ccccc1Br)CCC(C)(C)CCNC(=O)OC(C)(C)C 2235724553 ILWWYOSDJKTOSV-SFHVURJKSA-N 437.422 5.110 30 10 IKEE C=CCCCCCC[C@H](N)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237417151 LPGWQPWSFDAHET-VQTJNVASSA-N 439.438 5.739 30 10 IKEE C=C(COCc1ccccc1)[C@@H](Cc1cc(Br)cc(Br)c1)NC 2245963686 NUJPIWSFXOMGEX-LJQANCHMSA-N 439.191 5.115 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1sc(Br)c(C)c1C 2265903323 DHEBJUZFCMMCOP-CVEARBPZSA-N 445.467 6.028 30 10 IKEE C=CCCC1([C@@H](NCCC)c2cc(Br)cs2)CN(C(=O)OC(C)(C)C)C1 2266318500 SQNDIGKACNUEPT-KRWDZBQOSA-N 443.451 5.755 30 10 IKEE CC(C)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N(Cc2ccccc2)C(C)(C)C)c1 2267102782 YRTODNALUVFMHI-UHFFFAOYSA-N 435.417 5.550 30 10 IKEE C=CCN(C[C@H](NCC)c1cc(Br)cc(C(C)(C)C)c1)C(=O)OC(C)(C)C 2288666752 XRKKAVUHTMIIDT-IBGZPJMESA-N 439.438 5.820 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)c1c(F)cc(Br)cc1F 2291145834 WTBKZEPLYFXFFK-FQEVSTJZSA-N 441.268 5.033 30 10 IKEE COc1ccc(C=C2SC(=Nc3ccccc3)N(Cc3ccco3)C2=O)c(OC)c1C 2293465040 KIKJYSRQNGNJJM-UHFFFAOYSA-N 434.517 5.409 30 10 IKEE COc1ccc(CN2C(=O)C(=Cc3ccc(SC)cc3)SC2=Nc2ccccc2)cc1 2294143722 BONVVIFJTJKCFX-UHFFFAOYSA-N 446.597 6.221 30 10 IKEE O=C(C=Cc1ccc(COc2c(F)c(F)cc(F)c2F)o1)c1ccc(OC(F)F)cc1 2294898607 ZWYHAOJQBUAAOZ-UHFFFAOYSA-N 442.311 5.913 30 10 IKEE CN[C@@H](C#Cc1ccc(Br)cc1)c1cccc(NC(=O)OC(C)(C)C)c1F 2296308875 NXLPYLCOYLNYPF-KRWDZBQOSA-N 433.321 5.247 30 10 IKEE CCn1cc(C=C2Oc3cc(OCc4ccccc4F)ccc3C2=O)c2cc(OC)ccc21 2296586543 FTMMHWDWTOONII-UHFFFAOYSA-N 443.474 6.004 30 10 IKEE O=C1C(=Cc2ccccc2)CCCC1=C1SC(c2ccccc2)=C(c2ccccc2)S1 2296887318 JXZLOGWPZAUTDI-UHFFFAOYSA-N 438.617 8.041 30 10 IKEE COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)C(=Cc3ccc(OC)c(OC)c3)C[C@H]12 2297109887 SZBWKZHLROZHJQ-MUCKBHKGSA-N 432.560 5.831 30 10 IKEE O=C(C[C@H]1SC(=NC2CCCCC2)N(C2CCCCC2)C1=O)Nc1ccccc1Cl 2297451679 DWWBWNFSUIRQRR-HXUWFJFHSA-N 448.032 5.634 30 10 IKEE C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)C(=Cc3cccc(Cl)c3Cl)C[C@@H]12 2297480173 ANTLLZHQDMIOLB-QWAJFYDZSA-N 447.446 6.959 30 10 IKEE CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2299160672 BROVZKDRPLOYQI-ROUUACIJSA-N 433.524 5.105 30 10 IKEE COc1ccc2ccccc2c1C=C1SC(=Nc2cccc(Cl)c2Cl)NC1=O 2313541514 MGKBVXMPTMXDGF-UHFFFAOYSA-N 429.328 6.047 30 10 IKEE O=C1C(=CC=Cc2ccccc2)SC(=NN=CC=Cc2ccccc2)N1Cc1ccco1 2314840789 CBOKNSSSMLRPNE-UHFFFAOYSA-N 439.540 6.008 30 10 IKEE Cc1nnc(SCCc2ccccc2)n1N=Cc1ccc(OCc2ccccc2)cc1 2321157710 KGAAZPWWKLXWIU-UHFFFAOYSA-N 428.561 5.383 30 10 IKEE Sc1nnc(CCCOc2ccccc2)n1N=Cc1cccc(Oc2ccccc2)c1 2322060265 AYRJTRSCZZHAJR-UHFFFAOYSA-N 430.533 5.253 30 10 IKEE Sc1nnc(Cc2ccc(Br)cc2)n1N=Cc1ccc(Cl)cc1Cl 2322238775 KZWIXTYKARAVLI-UHFFFAOYSA-N 442.169 5.109 30 10 IKEE COc1ccc(CN2COc3c(cc4c(c3C)OC(=Cc3cccc(Cl)c3)C4=O)C2)cc1 2322305409 OLYQKUWYRJRSAT-UHFFFAOYSA-N 447.918 5.625 30 10 IKEE CCCCC[C@H](CC)N1COc2c(cc3c(c2C)OC(=Cc2cccc(Cl)c2)C3=O)C1 2322356856 YHQVFWOLBZXWJQ-NRFANRHFSA-N 439.983 6.775 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1c(F)cccc1Cl)c1ccc(F)c(F)c1 2322781757 OHSHQXNBDNMPCN-UHFFFAOYSA-N 437.244 6.886 30 10 IKEE CCCOC(=O)COc1c(Cl)cc(C=CC(=O)c2ccc3ccccc3c2)cc1OC 2323381650 VPAXEVIFYHIZNE-UHFFFAOYSA-N 438.907 5.730 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OC(=O)c3cc(Cl)ccc3Cl)c2C)C1=O 2323584811 AYNOBMQZDRUYPC-UHFFFAOYSA-N 439.294 6.446 30 10 IKEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1cc(C)ccc1C 2323675319 BPFIPJSPJNSLBH-UHFFFAOYSA-N 447.487 5.704 30 10 IKEE Cc1cc(OC(=O)c2ccc(-n3cccc3)cc2)cc2c1C(=O)C(=Cc1cccc(F)c1)O2 2323675884 XWZUGUWHZWWGEK-UHFFFAOYSA-N 439.442 5.760 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 2323701564 XPGILEHIYBJYLI-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OC(=O)c3ccc(OC(C)C)cc3)ccc2C1=O 2323812751 CGFYPYSWPOZCOT-UHFFFAOYSA-N 444.483 5.708 30 10 IKEE CN(Cc1c(O)ccc2c1OC(=Cc1cccc(Br)c1)C2=O)C1CCCCC1 2324074564 MENUPEZQMRNPLC-UHFFFAOYSA-N 442.353 5.535 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)cc1F 2324107402 VHTNEZLDZRIGJG-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE COc1ccccc1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccccc1C)C2=O 2324474105 MWQHNPUSYFLAGE-SFHVURJKSA-N 443.499 5.334 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(O[C@H](C)C(=O)Nc4ccc(C)cc4C)c3C)C2=O)c1 2324495315 XVVWJAJIWOBPME-HXUWFJFHSA-N 441.527 5.942 30 10 IKEE Cc1ccccc1OCCCCOc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O 2324598613 SXTADWUIWYPUCJ-UHFFFAOYSA-N 426.512 6.405 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OCCc2ccccc2)c([N+](=O)[O-])c1 2324703906 AMIIGARHBXOMCF-UHFFFAOYSA-N 437.879 5.774 30 10 IKEE COc1ccc(Br)cc1C=C1Oc2c(ccc(OCC=C(C)C)c2C)C1=O 2324850919 VTRFDXOZHCYBRF-UHFFFAOYSA-N 429.310 5.727 30 10 IKEE C[C@@H](NC(=O)COc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O)c1ccccc1 2325009136 PQRNKIMALWOOOI-MRXNPFEDSA-N 433.891 5.212 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccccc2Cl)c1 2325441778 VVOSLCOKSVEKRZ-UHFFFAOYSA-N 447.007 6.200 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1N=Cc1c(Cl)cccc1Cl 2325558977 FOHIGKAHJAWQNW-UHFFFAOYSA-N 439.799 6.365 30 10 IKEE COc1ccc(C=Nn2c(C)nnc2SCc2c(Cl)cccc2Cl)c(OC)c1 2325631325 JDUOCBYLHKFVKM-UHFFFAOYSA-N 437.352 5.085 30 10 IKEE CCN(Cc1ccccc1)c1ccc(C=Nn2cnnc2SCc2ccc(F)cc2)cc1 2325648597 KYYDNKPQIXXOIY-UHFFFAOYSA-N 445.567 5.618 30 10 IKEE CCOc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc(C)c(C)c3)c2)cc1 2325760646 RHHFLZSNEJXQLA-UHFFFAOYSA-N 430.500 5.583 30 10 IKEE CCCCCOc1ccc(C=Nn2c(CC)nnc2SCc2ccccc2Cl)cc1 2326546560 KEFVXCLCSKLKQJ-UHFFFAOYSA-N 443.016 6.237 30 10 IKEE CCOc1cccc(C=Nn2c(C)nnc2SCc2cccc3ccccc23)c1OC 2326637360 WBPIBRRFHKBEJX-UHFFFAOYSA-N 432.549 5.322 30 10 IKEE CCSc1nnc(COc2c(C)cccc2C)n1N=Cc1ccc(N(CC)CC)cc1 2328554047 DBDQXOPDPTVHTC-UHFFFAOYSA-N 437.613 5.314 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SCC)nnc2-c2ccccc2Cl)cc1 2329560624 YQQFLDJILPKSKY-UHFFFAOYSA-N 428.989 6.162 30 10 IKEE COc1cccc(C=CC(=O)Oc2cccc3c(NC(=O)c4cccc(C#N)c4)cccc23)c1 2329745768 FRGRCFBRVBZHMV-UHFFFAOYSA-N 448.478 5.591 30 10 IKEE Cn1cccc1C=Nn1c(Cc2ccccc2F)nnc1SCc1ccc(Cl)cc1 2329768776 XPIWBQXWXNRLLY-UHFFFAOYSA-N 439.947 5.174 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@H](C)c3ccccc3)n2N=Cc2ccccn2)c1 2330131523 UEWGUNFMZRTUDZ-HXUWFJFHSA-N 427.577 5.616 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1N=Cc1ccccc1 2330538234 FEQPFXPXIYAFIY-UHFFFAOYSA-N 447.589 5.182 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(SCc2ccc(F)cc2)nnc1[C@@H]1CCCO1 2330910330 NBVVPIFTJNTOEK-NRFANRHFSA-N 440.544 5.230 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(SCc2ccccc2F)nnc1[C@H]1CCCO1 2330961132 SGRPMNXFHMTVBE-OAQYLSRUSA-N 440.544 5.230 30 10 IKEE Oc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C2CCCC2)cc1O 2331104265 XYCSCUZYQQJERV-UHFFFAOYSA-N 446.935 5.314 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)[C@H]1CCCO1 2331155278 LONXEXUMHVRTMN-OAQYLSRUSA-N 426.896 5.058 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(C)c3)c(OCC)c2)cc1 2331309110 XSFXRINZIBLORU-UHFFFAOYSA-N 444.527 6.298 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2cc(C)ccc2OC)cc1OC 2331376912 JEWZNBPNIDYDTB-UHFFFAOYSA-N 438.564 6.564 30 10 IKEE COc1cccc(C=Nn2c(CC(C)C)nnc2SCc2cccc3ccccc23)c1 2331463371 ARIVQUOJASOVCK-UHFFFAOYSA-N 430.577 5.813 30 10 IKEE CCc1ccc(C=Nn2c(SCC(=O)Nc3c(C)cccc3C)nnc2C2CCC2)cc1 2331512250 RZLAOYSJJNTZNX-UHFFFAOYSA-N 447.608 5.338 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C(C)C)c1 2331708389 JPNZTKSFWQFKRK-UHFFFAOYSA-N 435.380 5.891 30 10 IKEE COc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C(C)C)cc1O 2331716368 YZKISHRUFHEBGY-UHFFFAOYSA-N 434.924 5.083 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)c1cncc(C)c1 2331864108 CREVZRUDQDQOLV-UHFFFAOYSA-N 442.298 5.821 30 10 IKEE C=CCC(CC=C)[C@@H](N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2338699572 OVRTWWQMYQVGKY-FQLXRVMXSA-N 443.587 5.974 30 10 IKEE CC(C)(C)OC(=O)N[C@H](CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C(C)(C)C 2339585554 QMGMCPOPXCDVQR-KAUXGEHWSA-N 445.413 5.078 30 10 IKEE C=CCCCCCC[C@@H](NC)[C@@H](O)c1sc(Cl)cc1I 2366646601 XNWWNVMMTRWCOU-TZMCWYRMSA-N 427.779 5.154 30 10 IKEE COCc1ccc(CN(C(=O)OC(C)(C)C)[C@@H](C#N)c2cc(Cl)sc2C)s1 2368041423 DKIHOFRJBZBSBP-INIZCTEOSA-N 426.991 5.920 30 10 IKEE CC(C)(C#Cc1ccc([C@@H]2SCCN2C(=S)Nc2cccc(Cl)c2)s1)CO 2727620 IKMGCZBQJGTCBL-SFHVURJKSA-N 437.055 5.216 30 10 IKEE COc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(C(C)(C)C)cc2)C3)c(OC)c1 21225027 PIRVCFPFUIIGBX-UWJYYQICSA-N 433.548 5.006 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OCC(C)C)cc2)C3)cc1 21245013 DTANZLLEGABZBO-XUZZJYLKSA-N 447.575 5.515 30 10 IKEE CCc1ccccc1N/C(=N\C(=O)c1ccc(OC)cc1)NCCc1c[nH]c2ccccc12 32943382 OVZXLGSAJHEPFO-UHFFFAOYSA-N 440.547 5.180 30 10 IKEE C=CCOC[C@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1 36345930 BTNKXNDHPBLBFH-XMMPIXPASA-N 449.595 5.057 30 10 IKEE C=CCC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C1CC1 36346029 IJSJJTVOWIJOKW-JOCHJYFZSA-N 435.543 5.404 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OCCC)cc1 40076807 APIHBLOHMUSSHU-NRFANRHFSA-N 427.928 5.507 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@H]1c1cccc(OCC)c1 40085909 OCQKCKOSXQXLII-HSZRJFAPSA-N 437.536 5.171 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1ccc(C(C)C)cc1 40093658 NFLQISBCMOMLJV-RUZDIDTESA-N 449.591 6.284 30 10 IKEE C=CCc1ccc(OCCCCn2c(Cc3ccccc3)nc3ccccc32)c(OC)c1 40225584 UHXLZUWIWNATDJ-UHFFFAOYSA-N 426.560 6.223 30 10 IKEE C=CCc1ccccc1OCCn1c([C@@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21 40226749 KTLPDHYFKTVAEI-QHCPKHFHSA-N 438.615 7.194 30 10 IKEE COC(=O)c1ccc(COc2ccc3c(c2C)O/C(=C\c2ccc(N(C)C)cc2)C3=O)cc1 41502041 XQKPUVIIPSAQQR-IWIPYMOSSA-N 443.499 5.043 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2)S/C(=N/N=C\C=C\c2ccccc2)N1Cc1ccco1 47138730 ZGPZFRDXCGXEPQ-DBIZZOAXSA-N 447.947 6.105 30 10 IKEE C/C(=N/Nc1cc(C)c2cc(Cl)ccc2n1)c1ccc(OCC(=O)N2CCCC2)cc1 97994229 LAVWSFFIODXKDX-PKAZHMFMSA-N 436.943 5.034 30 10 IKEE CCCCCCCOc1cccc(NC(=S)NC(=O)c2cccc(OC(C)C)c2)c1 100254183 ADJFIAAMMXDEMB-UHFFFAOYSA-N 428.598 5.950 30 10 IKEE CC/N=C1/S/C(=C\c2cn(Cc3cccc4ccccc34)c3ccccc23)C(=O)N1CC 101633033 BXLOKLOYZVQNIJ-ZNGVCIRKSA-N 439.584 6.155 30 10 IKEE CCCCCCCCCCCCn1c([C@H](C)NC(=O)[C@H]2CCCO2)nc2ccccc21 102133486 IHNACFYKYWIHJL-XUZZJYLKSA-N 427.633 6.313 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)/C(=C(\O)c4ccccc4)[C@@H]3c3ccccc3)sc2c1 102724433 CZGHKPKGYRKNFM-VFJWVMJUSA-N 440.524 5.485 30 10 IKEE CC1(C)[C@H]2CC[C@@]1(C)/C(=N\N=C1/NC(=O)/C(=C\c3ccc(Br)cc3)S1)C2 105547028 OSOWLGLZNFHGQW-ODFOFHQPSA-N 432.387 5.211 30 10 IKEE O=C(/C=C\Nc1ccc(Cc2ccc(N/C=C\C(=O)C(F)(F)F)cc2)cc1)C(F)(F)F 105917339 PTKAMJUYYYQHLO-HWAYABPNSA-N 442.359 5.391 30 10 IKEE CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N/c1ccc(Br)cc1 109255896 ZQOYXVICUFAESV-DWNWEZKESA-N 446.395 5.443 30 10 IKEE COC1=CC=C(Br)/C(=C\Nc2ccc3oc(-c4ccccc4F)nc3c2)C1=O 136033821 ZHQIYBXGIVIUSB-SDNWHVSQSA-N 441.256 5.322 30 10 IKEE CCOc1cc(/C=N\n2c(S)nnc2C(C)C)ccc1OCc1ccccc1Cl 169909700 BBGXSLUVKOABGQ-FMCGGJTJSA-N 430.961 5.204 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(OCc3cccc(Cl)c3)cc2)NC(=S)N1 169938380 FWUWCOBTIROFEX-QHCPKHFHSA-N 448.975 5.595 30 10 IKEE CCCCCCCCCOc1ccc([C@H]2NN=C3CCN(C)C[C@@H]32)cc1Br 169941853 GTNZMTSSBRPWOG-PGRDOPGGSA-N 436.438 5.531 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@@H]2c2ccccc2OC)cc1 169942140 JLLSNPLWTMGMHU-RUZDIDTESA-N 441.527 5.603 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(C)c(C)c2)[C@@H]1c1cccc(C)c1 169967161 KLBKXSUKCILRKX-VWLOTQADSA-N 441.527 5.399 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccc(C)c1 169970494 QCKARWONSUNPHI-XMMPIXPASA-N 439.467 5.533 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@H]2c2cccs2)ccc1F 169987023 TVQVICMSAJFZPB-FQEVSTJZSA-N 441.911 5.940 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccccn2)c1 169998960 WYUCDQPECSIKBS-NRFANRHFSA-N 441.512 5.091 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2cccnc2)cc1C 170006083 WJHHDXIZTYTGKI-JOCHJYFZSA-N 432.907 5.443 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4cc(F)ccc4[nH]3)[C@@H]2c2ccccc2)c1 170056339 LKBJCHFPUWHDEW-JOCHJYFZSA-N 441.462 5.102 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccc(F)cc2)c1 170061376 XWXGXMJPLQSFRM-QHCPKHFHSA-N 433.454 5.673 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@H]2c2ccco2)c(C)c1 170090613 ACZUPJLLLTUGLY-QHCPKHFHSA-N 445.515 5.677 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(N(C)C)cc2)cc1 170129972 SKKUSYBIEMEMKY-XMMPIXPASA-N 448.563 5.062 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccc(O)cc2)c1 170132026 MAVKPKDCQMTJHA-VWLOTQADSA-N 435.479 5.637 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)c(OC)cc3C)[C@@H]2c2cccs2)cc1 170157862 GIFWSWXWHCAGSN-QFIPXVFZSA-N 449.528 5.165 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2cccs2)cc1OC 170157995 ILMAWCQSPDHAOD-JOCHJYFZSA-N 449.528 5.165 30 10 IKEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)c(F)c4)[C@@H]3c3ccccc3)ccc2O1 170223217 GRVYRTVXLXAUDG-QKFKETGDSA-N 447.437 5.071 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccccc2)cc1 170227077 OTPAZBUIHBLNLA-XMMPIXPASA-N 427.500 5.565 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(F)cc2)ccc1Cl 170242167 BQRUJVKSDZPTQY-NRFANRHFSA-N 443.902 5.399 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@@H]1c1ccc(C(C)C)cc1 170245805 BBVPMWVDYNQYLB-DEOSSOPVSA-N 449.591 6.204 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1cccc(O)c1 170259375 UAQRQZXYHVZRJH-NRFANRHFSA-N 449.890 5.146 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccco2)cc1C 170279839 MRNCSDRTONUTAE-OAQYLSRUSA-N 437.517 5.217 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccc(C)o2)cc1 170303173 HBSFJQJYJBEJFQ-OAQYLSRUSA-N 437.879 5.423 30 10 IKEE CCCCCCCCCOc1ccc([C@@H]2NN=C3CCN(CCC)C[C@H]32)cc1OCC 217067347 NBSUTJSEBMIYTD-GJZUVCINSA-N 429.649 5.947 30 10 IKEE Clc1ccccc1/C=C/C=Nc1ccc2oc(-c3cccc(Br)c3)nc2c1 252594606 BTYMLZPPNWAYDA-PZAPUMBBSA-N 437.724 7.326 30 10 IKEE Oc1ccccc1-c1cc(-c2ccccc2)nc(NN=Cc2c(O)ccc3ccccc23)n1 252625523 QLWCNNXOOXKHMZ-UHFFFAOYSA-N 432.483 5.821 30 10 IKEE C=CCc1cc(/C=C2/SC(=Nc3ccccc3)N(Cc3ccco3)C2=O)cc(OC)c1O 252640270 YSLXPAUGCBPIFW-XKEFNESHSA-N 446.528 5.527 30 10 IKEE C=CCn1c(SCCC(=O)Nc2ccc(F)cc2)nnc1-c1ccc2ccccc2c1 253573613 RQBCAXARTIWFBJ-UHFFFAOYSA-N 432.524 5.544 30 10 IKEE O=C(Oc1ccccc1C=Nc1cccc2ccccc12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 254556756 NBFSSJCVZYMBBL-UHFFFAOYSA-N 441.399 5.626 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc3ccccc23)cc1 526710303 MLQWZLGODZSUTH-SANMLTNESA-N 449.506 6.021 30 10 IKEE CCCOc1ccc(/C=N\n2cnnc2SCc2ccccc2)cc1Br 526800806 SWPBKSZLMDRFRM-UUYOSTAYSA-N 431.359 5.004 30 10 IKEE CCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1c(Cl)ccc(Cl)c1Cl 526802087 BISVWONCJAIJDR-AQHIEDMUSA-N 443.762 6.114 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1c(F)cccc1Cl 526812662 GSWSCIZPVQLHDY-MSXFZWOLSA-N 437.371 6.241 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccc(C(F)(F)F)cc1 526817246 YFEWABJLWUATBA-ROTLSHHCSA-N 438.906 6.077 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@H](C#N)c1ccc(Cl)cc1Br 698817534 GSHNXCBBOPFBBJ-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@]1(C#N)CCc2cc(Br)ccc21 698858404 WNDHUPVTDRZQAI-JOCHJYFZSA-N 433.390 6.074 30 10 IKEE CC(C)(C[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1)NC(=O)OC(C)(C)C 698892075 RGJIYISREQMWDN-KRWDZBQOSA-N 437.968 5.667 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@@H](C#N)c1cc(Br)c(Cl)s1 698973044 VASPMKVJIAJKRA-ZDUSSCGKSA-N 445.741 6.309 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 724073754 WYUOSKQMAUMWQF-MWTRTKDXSA-N 449.979 5.669 30 10 IKEE Cc1ccc(CSc2nc3ccc(N=Cc4ccc(Cl)cc4Cl)cc3s2)cc1 1084362049 SMMFCLYKKKFJGP-UHFFFAOYSA-N 443.424 7.954 30 10 IKEE C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5CCCCO5)CC[C@@]43C)[C@H]1CC[C@@H]2[C@@](C)(O)C=O 1088714299 YSVJDFIWOQKWTF-IXWRGOQYSA-N 430.629 5.427 30 10 IKEE C/C(C=NN=C1S/C(=C\c2cccnc2)C(=O)N1Cc1ccco1)=C\c1ccccc1 1772759431 RENBDECNXOOQQQ-JKEGXDCCSA-N 428.517 5.236 30 10 IKEE COc1ccc(-c2nn(-c3cccc(C)c3)cc2/C=N\NC(=S)Nc2ccccc2)cc1 1857808598 FDXLOHAEGWVIJI-QQXSKIMKSA-N 441.560 5.177 30 10 IKEE Cc1cccc(NC(=S)N/N=C\c2cn(-c3ccccc3)nc2-c2ccc(C)c(C)c2)c1 1857811054 IZIWZSXMCCXAHL-YUMHPJSZSA-N 439.588 5.785 30 10 IKEE C=CCNc1nc(-c2ccnc(NC(c3ccccc3)c3ccccc3)c2)cc2cnccc12 1857816632 HWSMTAMMGUHBCP-UHFFFAOYSA-N 443.554 6.491 30 10 IKEE N#Cc1ccc(NC(=O)c2cc(-c3cc(Cl)ccc3Cl)n(-c3ccccc3)n2)cc1 1859389554 YCRITGLSLCVZNV-UHFFFAOYSA-N 433.298 5.970 30 10 IKEE COc1cc(/C=C/C(=O)C(=O)Nc2ccccc2OC(C)C)ccc1OCc1ccccc1 1860728685 SGDLRFYYENEXOJ-FYWRMAATSA-N 445.515 5.282 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccccc2)c1)C(=O)Nc1cccc(C(F)(F)F)c1 1860729866 RDERMAYEUNXYRJ-OUKQBFOZSA-N 425.406 5.505 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCC)NC(=O)c1ccc(OCCCC)c(OCC)c1 1861750747 YUHXKOVBSXKRKZ-QFIPXVFZSA-N 448.648 5.639 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CCC(C)C)c1 1862379533 DQPUDFBVCLPLNK-FQEVSTJZSA-N 432.347 5.926 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(C(C)C)cc1 1862434370 XQMDIWPCKYCQHX-HSZRJFAPSA-N 439.983 6.622 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc(OCCC)c1 1862437725 XPYXTMYAZJXSFI-OAQYLSRUSA-N 427.928 5.507 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccccc1Cl 1862444119 UGSFQPKNCFWONM-LJQANCHMSA-N 449.856 5.880 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1cccc(F)c1 1862467966 FLKMFFJDYHLRCN-IBGZPJMESA-N 446.316 5.213 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@H]2c2cccc(C)c2)cc1 1862474999 AQXMZEYTRLBZQG-QHCPKHFHSA-N 431.919 5.735 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 1862482970 XKOXRMZZHNRCHY-NRFANRHFSA-N 443.465 5.925 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2ccc(F)cc2)c1 1862490049 MQAVZXLHGXEDKN-VWLOTQADSA-N 443.518 5.654 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2[C@H](C)CC)c1 1862510929 LBDNMHXHKLRBNZ-ZHRRBRCNSA-N 425.500 5.300 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc(OC)cc2)cc1 1862536225 UJISEKHFIVKFAG-YJGRUCBDSA-N 433.548 5.415 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862560770 IMUPDPXREAZPTA-DEOSSOPVSA-N 440.543 5.345 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(F)cc1F 1862615433 KMOVPRPUSYNHQY-SZNDQCEHSA-N 427.491 5.639 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862616850 TWSIEORTWMIRJQ-DEOSSOPVSA-N 442.559 5.986 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(F)cc2)cc1 1862617064 UMNUDWRZCMPYON-HSZRJFAPSA-N 444.506 5.297 30 10 IKEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1cccc(Cl)c1)c1cccc2ccccc12 1862652084 CJFGWUOQOYOCRW-AUSIDOKSSA-N 447.918 5.251 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(Cl)c2)cc1 1862660174 GDBBTHOSMHXIIE-JOCHJYFZSA-N 435.907 5.835 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(C(C)C)cc2)cc1 1862679390 ZSAJBIITNYRNKE-RUZDIDTESA-N 443.518 6.036 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(C(F)(F)F)cc1 1862706217 QMUOFFOPXYROHL-LJQANCHMSA-N 433.426 5.092 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(Br)cc1 1862719156 KIFMTURELZCUIR-NRFANRHFSA-N 448.316 5.367 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(O)c(O)c1 1862726160 ZVISVSGQVZOXGI-DEOSSOPVSA-N 443.499 5.143 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862744821 VRAXPNAPGLYLGK-SFHVURJKSA-N 449.290 5.136 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(OC(C)C)cc3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862905319 HSIBNMYZIUIMNG-UHFFFAOYSA-N 437.499 5.051 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(OCCCCCC)cc2)=C(c2ccc(OCC)cc2)C1=O 1863207864 LKNJGCLLAAOQEK-UHFFFAOYSA-N 448.563 5.422 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(N3CCCCC3)cc2)=C(c2cccc3ccccc23)C1=O 1863222960 YEKIDDCJKWINSR-UHFFFAOYSA-N 437.543 5.208 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2Cl)C(=O)N(CCCN(C)C)C1=O 1863775525 BTMZQMKYZLWQPT-UHFFFAOYSA-N 448.051 5.102 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)[C@H](C)Oc2ccc(C(C)C)cc2)c1 1865934836 MECWIAUECJRHCS-IBGZPJMESA-N 426.516 5.627 30 10 IKEE C=CCn1cc(OCCCCOc2cccc(C)c2)c(=O)cc1CSc1ccc(C)cc1 1870223267 MSEWFSCUXYRJJY-UHFFFAOYSA-N 449.616 6.181 30 10 IKEE C=CCn1cc(OCCCCOc2ccccc2C)c(=O)cc1CSc1ccccn1 1870225114 VMTAXLXEYPBWRX-UHFFFAOYSA-N 436.577 5.268 30 10 IKEE C=CCOc1cn(CCCCCCCC)c(CSCc2nc3ccccc3[nH]2)cc1=O 1870244555 WCZAYROHOPXRQM-UHFFFAOYSA-N 439.625 6.083 30 10 IKEE CCCCCCCOc1cn(Cc2cccnc2)c(CN2C[C@H](C)C[C@@H](C)C2)cc1=O 1870410673 ATTQTMQPDTXYNM-FGZHOGPDSA-N 425.617 5.119 30 10 IKEE C=CCn1cc(OCCOc2cccc3ccccc23)c(=O)cc1CN(CCC)CCC 1870593287 NFBMIUWVKJYZJK-UHFFFAOYSA-N 434.580 5.267 30 10 IKEE CCCCCCCCn1cc(OCCCCCC)c(=O)cc1CN1CCC(N(C)C)CC1 1870677337 YNPJOMDQIQGJOM-UHFFFAOYSA-N 447.708 5.694 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(C)cc2)c(=O)cc1CN(CCC)CCC 1870770617 RQIWCVXEKPZRQA-UHFFFAOYSA-N 440.672 6.718 30 10 IKEE C=CCn1cc(OCc2ccc(C(C)C)cc2)c(=O)cc1CNc1cc(OC)cc(OC)c1 1870898111 YGIMNGBFVJMDNO-UHFFFAOYSA-N 448.563 5.366 30 10 IKEE CCCCCCCCCCN=c1nc2c(cnn2C)c(Nc2ccc(NC(C)=O)cc2)[nH]1 1871299306 XKJGORCPHRRLLB-UHFFFAOYSA-N 437.592 5.040 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1c(F)cccc1Cl)C3=O)CN(C1CCCCCC1)CO2 1871353400 PUJSTZALJXMXLO-UUYOSTAYSA-N 441.930 6.278 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1cccc(F)c1)O3)CN(C13CC4CC(CC(C4)C1)C3)CO2 1871353485 RTVJUZMIFYODDF-VROXFSQNSA-N 445.534 5.871 30 10 IKEE CCCCC[C@@H](CC)N1COc2c(cc3c(c2C)O/C(=C\c2ccc(CC)cc2)C3=O)C1 1871353774 ZUQZGQBIKJDIAU-UELZEPHDSA-N 433.592 6.684 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OC(=O)c3ccc(Cl)c(Cl)c3)ccc2C1=O 1871372468 SSZYQHMBTPSZIL-ZDLGFXPLSA-N 431.296 6.199 30 10 IKEE CCOc1ccc(CC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2sccc2C)C3=O)cc1 1871374472 MDWGCUXSCNGLKP-STZFKDTASA-N 434.513 5.528 30 10 IKEE COc1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 1871377065 SUMDVYKXZFPLSL-FDTILGBMSA-N 430.431 5.378 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccccc4C)c3C)C2=O)c1 1871408170 AJNBIUBYEJDFGI-XHFXOGKZSA-N 443.499 5.334 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3c(C)cccc3C)ccc2C1=O 1871440537 URVLGTSETTZJJD-OYKKKHCWSA-N 443.499 5.336 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4F)ccc3C2=O)cc1 1871460003 PPKNVBAHXLAZBF-CFRMEGHHSA-N 431.463 5.583 30 10 IKEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1ccc(C)cc1 1872297635 JDBITDMZIODGJU-QFIPXVFZSA-N 449.016 5.187 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 1872761259 JKKXUMFDISXKLF-BQHJZSHBSA-N 434.517 5.116 30 10 IKEE CCCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3cc(C)ccc3C)cs2)cc1OCC 1872771887 FICMPDQQDJPCEQ-NRFANRHFSA-N 448.588 6.495 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(F)cc3)n2)c1 1872781120 PEYDNMVTNHPLJA-OEMHODTASA-N 436.508 5.636 30 10 IKEE C[C@@H]1C[C@@H](C)CN(CC(=O)[C@@H](C#N)c2nc(-c3ccccc3)c(-c3ccccc3)s2)C1 1872799849 MLKOYWZJQQMGHR-WOIUINJBSA-N 429.589 5.631 30 10 IKEE C=CCc1ccccc1OCc1ccc(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1 1872858942 BXEBLPAJMKKVQM-UHFFFAOYSA-N 429.516 5.812 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2F)C(=O)N([C@H](CC)CCCCC)C1=O 1873030886 AVIJYWKOQGGGPJ-HXUWFJFHSA-N 430.608 6.215 30 10 IKEE Cc1ccc(COc2cccc(/C=N/Nc3oc([C@@H]4C[C@@H]4c4ccccc4)nc3C#N)c2)cc1 1873470765 QDYMUUHJTIYEGB-NGRIDEQRSA-N 448.526 6.151 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C)c2C)cc2c(NCc3ccccc3F)ncnc21 1873637189 QUMRGRINNJJJBO-UHFFFAOYSA-N 429.499 5.238 30 10 IKEE COc1cc2[nH]c3c(N/N=C/c4ccc(-c5ccccc5Cl)o4)ncnc3c2cc1OC 1873793079 VQNJBGHXGOPLJK-LUOAPIJWSA-N 447.882 5.488 30 10 IKEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3ccc(F)c(F)c3F)c(=O)oc2c1 1873912161 UVBNYWCULORZCB-UHFFFAOYSA-N 431.410 5.045 30 10 IKEE CSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1cn(C)c2ccccc12 1874225098 SYAIYTCHIGETHF-MFKUBSTISA-N 433.581 5.002 30 10 IKEE CCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1cccc2ccccc12 1874244395 CXHCBPZZJFMNPV-MTDXEUNCSA-N 444.648 6.575 30 10 IKEE C=CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccccc1Cl 1874244401 DFYFQTYRLAQMHL-MFKUBSTISA-N 427.017 5.851 30 10 IKEE Clc1ccccc1OCc1nnc(SCCc2ccccc2)n1/N=C/c1ccccn1 1874267741 MOSZPJAUUFKFIV-WGOQTCKBSA-N 449.967 5.123 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2cccnc2)cc1 1874301950 ZIKLJXXVKOHRFY-WPWMEQJKSA-N 443.576 5.146 30 10 IKEE Cc1ccc(CSc2nnc(COCc3ccccc3)n2/N=C/c2ccccc2O)cc1 1874352609 SNZGHYBBTRMZAD-CVKSISIWSA-N 444.560 5.183 30 10 IKEE Cc1ccc(/C=N/n2c(Cc3ccc(C)c(C)c3)nnc2SCc2ccccc2F)cc1 1874358515 LTXPDALJHRLIRB-LQKURTRISA-N 444.579 6.108 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1cc(Cl)ccc1O 1874358687 UVQBCLRGUWTCSX-WYMPLXKRSA-N 426.973 5.395 30 10 IKEE Fc1cccc(/C=N/n2c(Cc3cccs3)nnc2SCc2ccccc2Cl)c1 1874413232 IZJPMCOCEBPXAR-ZMOGYAJESA-N 442.972 5.897 30 10 IKEE Oc1ccccc1/C=N/n1c(SCc2cccc3ccccc23)nnc1-c1cccs1 1874423716 ATMKANJOBQQNRC-MFKUBSTISA-N 442.569 6.040 30 10 IKEE Cc1ccccc1/C=N/n1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccccc1 1874426606 QHHQYAOODBSXDR-CVKSISIWSA-N 445.523 5.006 30 10 IKEE COCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1cccs1 1874473984 GUFCAXLVJAJXSF-KEBDBYFISA-N 427.382 5.010 30 10 IKEE CCCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccc(C)cc1 1874479201 OAQHBCBAXGIDEX-ZMOGYAJESA-N 433.408 6.410 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874482849 QPCLNTPAZUHULC-BHGWPJFGSA-N 437.371 6.196 30 10 IKEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3cc(C)ccc3C)nnc2C2CCC2)cc1 1874493219 AWBRWEINKLFJGJ-CVKSISIWSA-N 447.608 5.338 30 10 IKEE COc1cccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CC2)c1O 1874520764 OACDYDUYKDWXBR-AFUMVMLFSA-N 430.533 5.197 30 10 IKEE CCCOc1c(/C=N/n2c(CC)nnc2SCc2ccc(Cl)cc2)cccc1OC 1874527290 HZQVADUIACETKM-ZVHZXABRSA-N 444.988 5.466 30 10 IKEE O=C(/C=C/c1c(OCc2ccccc2)ccc2ccccc12)c1ccc(Cl)cc1Cl 1874573467 PIGYBFKIFXQMJS-BUHFOSPRSA-N 433.334 7.622 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2C)cc1 1874577824 HOJJEYODICZUJU-FOWTUZBSSA-N 429.516 5.616 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(C)cc2)c1OCC(=O)NCc1ccccc1 1874579583 WJXDRDAWQXHEDI-OUKQBFOZSA-N 449.934 5.248 30 10 IKEE O=C(COc1cccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c1)NC1CCCCC1 1874592968 LPOXUHPIGOEMST-XMHGGMMESA-N 439.555 6.077 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccccc3C)c2)cc1 1874593662 VRRNVRBFXMNUNV-OBGWFSINSA-N 427.544 6.251 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OCC(=O)Nc1c(C)cccc1C 1874614451 GZROCVLIRQCFEH-FYWRMAATSA-N 429.516 5.616 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OCc1cccc(Cl)c1 1874625270 VLWVHSRGZXWMBI-IZZDOVSWSA-N 426.871 5.971 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccc(OCc2ccccc2C)cc1 1874628666 PNLLXGWVPSDFEE-FMIVXFBMSA-N 427.327 6.786 30 10 IKEE Cc1ccc(C)c(COc2ccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)cc2[N+](=O)[O-])c1 1874629338 XXXFCHRZEORHPD-PKNBQFBNSA-N 443.543 6.920 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(/C=C/C(=O)c3cc(C(C)(C)C)ccc3C)cc2)c1 1874635602 UHPDKTCEARWJLF-FOWTUZBSSA-N 441.571 6.515 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3nc(O)c4ccccc4n3)cc2)cc1Cl 1874637075 HTRBHFBTCXGYFI-XYOKQWHBSA-N 446.890 5.473 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1OC(=O)c1ccc(F)c(F)c1 1874692479 JFGPUOZPLJVOCZ-WUXMJOGZSA-N 444.433 6.242 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(Cl)c(Cl)c3)c2)c(C)c1 1874701799 AGDXLSOVIISROT-YRNVUSSQSA-N 425.311 6.726 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccccc2Cl)c1)c1ccc(Cl)c(Cl)c1 1874702728 GYZIIQXDLMOZMW-DHZHZOJOSA-N 431.702 6.762 30 10 IKEE COc1ccc(OCCCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(F)cc3)c2)cc1 1874708717 QTBRNKGIPQIBNT-FRKPEAEDSA-N 434.463 5.495 30 10 IKEE COc1ccc(CC(=O)Oc2cc(/C=C/C(=O)c3ccc(F)c(F)c3)ccc2OC)cc1 1874709407 FYMFXWJZTPIBQQ-VZUCSPMQSA-N 438.426 5.026 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(-n4cccc4)cc3)c2)cc1 1874709591 IWILJCZRTBQHIJ-CAOOACKPSA-N 435.523 6.716 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Br)c(O)c(Br)c2)c(C)c1C 1874719275 SIARMHFBJMFOJQ-GQCTYLIASA-N 440.131 5.439 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@H]2CCCO2)c(Br)c1)c1ccc(Cl)cc1 1875126083 PAFIMUPCGPGUDL-JFKHNGDKSA-N 435.701 5.083 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C(F)(F)F)cc3)cc2)cc1 1875129800 UQLGFMBACDQQLK-FZSIALSZSA-N 440.417 6.219 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)CCc1ccccc1C 1875142786 UBLYMKPHELJDDT-MDWZMJQESA-N 432.491 5.885 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 1875148293 AHEJPHVFHWBIPH-GIJQJNRQSA-N 428.528 6.037 30 10 IKEE CN(C)c1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 1875148975 RWEPFWCDNYGNTG-UFWORHAWSA-N 427.544 6.165 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OC(=O)c1cccnc1 1875164881 FOYOYSFMBMEEHF-CSKARUKUSA-N 445.515 5.646 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1cccnc1 1875170453 YVLZBXQKESTXMY-PKNBQFBNSA-N 429.516 5.829 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)COc3cc(F)ccc3F)cc2)c(C)c1 1875182570 KCANHLUQSMHYOL-IZZDOVSWSA-N 436.454 5.771 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1ccccc1OC 1875184948 YOAFBJAQLRZFNG-ZRDIBKRKSA-N 430.500 5.744 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)[C@H](c3ccccc3)C3CCCC3)cc21 1890605544 LYJPPRLGLAKWAS-XMMPIXPASA-N 432.564 5.537 30 10 IKEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)Nc1cc(C(F)(F)F)ccc1F 1891256297 MLXGZHXTKBAWLY-UHFFFAOYSA-N 434.311 5.067 30 10 IKEE N#Cc1ccc(OC2CCN(C(=O)CCc3c4ccccc4cc4ccccc34)CC2)cc1 1892371826 RPPQZHFMVXLWAR-UHFFFAOYSA-N 434.539 5.867 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1 1922068568 JLCFEFOKLKILJZ-DQEYMECFSA-N 438.612 5.436 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1nc2ccccc2cc1Br 1922114080 ZULYMILVCOFOHS-JOCHJYFZSA-N 425.370 5.811 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)NCC 1922117298 YTTUOZLIPIVAHL-ZTCOLXNVSA-N 430.633 5.411 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCCC2(CCC2)[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CC1 1924816546 DVAVWTILCSICHL-OSPHWJPCSA-N 433.593 5.143 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@]1(C#N)N(CC1CC1)C(=O)OC(C)(C)C 1924938700 FEJJLWJVRVXIKK-HOYKHHGWSA-N 433.593 5.001 30 10 IKEE C=C([C@@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)C(C)(C)C 1947455835 VPZYXSHZKNOVAN-GJZUVCINSA-N 429.649 5.126 30 10 IKEE C#C[C@@H](NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC)C(C)(C)C 1992005932 FWBLMXJTHMMAQK-PISWEHOVSA-N 446.591 5.104 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CC12CCC(C#N)(N(C(=O)OC(C)(C)C)C1CCC1)CC2 1996454332 NOJAQPXKQIUPNH-XWFFHEKESA-N 433.593 5.143 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2010803546 PKMJDYXVWHQVRC-UEQSERJNSA-N 428.617 5.306 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(Br)ccc(Cl)c1F 2037657419 RTZTXZZGKATCEE-XJKSGUPXSA-N 435.765 5.362 30 10 IKEE COc1ccc(OC)c(C=CC(=O)N2CCCSC2=Nc2ccc(C)c(Cl)c2)c1 2040433391 AFCPVNAMWPANDJ-UHFFFAOYSA-N 430.957 5.332 30 10 IKEE COc1ccc(C(=O)C=Cc2cc3ccccc3nc2SCc2ccc(Cl)cc2)cc1 2040746861 ZUVZCVGRAQQFML-UHFFFAOYSA-N 445.971 7.085 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)cc1 2041702107 MNQBUCHOTHXSAQ-NXKWYNOOSA-N 441.572 5.561 30 10 IKEE C[C@@H](C1CC1)N(Cc1ccccc1)c1ncc(B2OC(C)(C)C(C)(C)O2)c2ccsc12 2052612897 SCHRTYBOEBZIIN-KRWDZBQOSA-N 434.414 5.401 30 10 IKEE CC[C@@H](c1cc(C)c(C)cc1C)n1nc(C(C)C)c(/C=N/O)c1I 2078981309 LQYOCQFICUYRLP-GVLJNOETSA-N 439.341 5.344 30 10 IKEE CCOC(=O)c1c(C(C)(C)C)nn(Cc2ccc(F)c(C(F)(F)F)c2)c1C(F)(F)F 2079032856 KQUTXNPGFXBXPV-UHFFFAOYSA-N 440.359 5.582 30 10 IKEE CC(C)(C)OC(=O)c1nn(-c2ccc(C(F)(F)F)c(F)c2)c(C(F)(F)F)c1Cl 2079180600 WGQUGKJPDRDZGV-UHFFFAOYSA-N 432.723 5.658 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(Cc3ccccc3)[C@@]3(CCOC3)C2)cc1 2100065898 CLUJLAFRZRVOCM-RRPNLBNLSA-N 447.579 5.064 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(Cl)ccc(Br)c1F 2122155139 YWVBUVJPEVFHDT-WMLDXEAASA-N 447.776 5.199 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](CNc2ccc(C#N)cc2Br)C(F)(F)CC1 2162283730 FGSIZCNXJCPKPN-AWEZNQCLSA-N 444.320 5.015 30 10 IKEE CCN(c1cc(Br)ccc1C#N)[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 2174807634 DYXHOOIWHDDTTC-SJLPKXTDSA-N 436.394 5.231 30 10 IKEE C[C@H]1CCCN(c2cccc(Br)c2C#N)[C@@H]1CCCNC(=O)OC(C)(C)C 2174807912 IBZVXNABKBRNHU-MAUKXSAKSA-N 436.394 5.231 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Br)c([C@@H](O)C#Cc2cccc(Cl)c2)c1 2230998122 ZSAKTNVPJLSVFY-SFHVURJKSA-N 436.733 5.535 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCC[C@@]2(C#N)Nc2ccccc2Br)C1 2233748985 GEUVKZLUXLNEPC-MRUHUIDDSA-N 434.378 5.180 30 10 IKEE Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)Nc1ccc(C#N)cc1Br 2237310844 KTXYIENRVBIQQE-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N(Cc1ccccc1)[C@H](C)C(C)(C)C 2267242565 UNFUNJVNZYJNRG-HXUWFJFHSA-N 435.417 5.371 30 10 IKEE CC(C)(C)OC(=O)NCc1cccc(Cl)c1Nc1ccc(Br)cc1C#N 2269408139 GRRRQWLBZYGFMZ-UHFFFAOYSA-N 436.737 5.742 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2c(Br)cccc2C#N)C[C@@H]2CCCC[C@@H]21 2285155362 FMXSRTPBSHJZFK-ZVZYQTTQSA-N 434.378 5.301 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(C(=O)C=Cc3ccco3)=C(O)C(=O)N2Cc2cccnc2)cc1 2314522656 SAIUOPRLZBQBLZ-DEOSSOPVSA-N 442.515 5.150 30 10 IKEE COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OC(=O)C=Cc1ccccc1Cl 2314716848 URTFBKQLOUJHKB-UHFFFAOYSA-N 444.870 5.430 30 10 IKEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2321321313 MMUGEFJLYPORBW-OSWQYVSFSA-N 449.636 5.874 30 10 IKEE COc1ccccc1C=C1Oc2cc(OCc3ccc(Cl)c(Cl)c3)cc(C)c2C1=O 2321787437 HWKBWYSDOWPZSY-UHFFFAOYSA-N 441.310 6.506 30 10 IKEE CCCCCCN1COc2ccc3c(c2C1)OC(=Cc1ccc(Cl)cc1Cl)C3=O 2322083129 RQJNABSNWPMLMI-UHFFFAOYSA-N 432.347 6.342 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(C(C)C)cc1)O3)CN(CCC1=CCCCC1)CO2 2322107698 MSUDJDMOJLFINJ-UHFFFAOYSA-N 443.587 6.777 30 10 IKEE COc1ccc([C@@H](C)N2COc3ccc4c(c3C2)OC(=Cc2ccccc2)C4=O)cc1OC 2322260354 BQZBGZZULVZMGK-QGZVFWFLSA-N 443.499 5.233 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1cccs1)C3=O)CN(CCCCc1ccccc1)CO2 2322443005 QQDUIPWFBDGTIG-UHFFFAOYSA-N 431.557 5.848 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)c1OCc1ccccc1Cl 2322585721 MEXQSXLMXGVKOD-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)c1OCc1cccc(C)c1 2322586008 WHKUYECKZPQJAI-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE O=C(C=Cc1cccc(OCc2cccc3ccccc23)c1)c1cc(Cl)ccc1Cl 2323327741 OJVUMJGYNXNMBM-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(OCc3ccc(C(=O)OC(C)C)o3)c2C)C1=O 2325388033 BYCPGGQOTGUHMT-UHFFFAOYSA-N 438.501 5.718 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccc(O)cc2)c1 2325441877 SVHGLQZDQPUJEB-UHFFFAOYSA-N 428.561 5.252 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1ccccc1)C2=O)Nc1ccc(C(F)(F)F)cc1 2325536143 UMALVEFLMOTOGY-UHFFFAOYSA-N 439.389 5.339 30 10 IKEE CC(C)c1ccccc1OCCCC(=O)Oc1cccc(C=CC(=O)c2ccccc2)c1 2325733105 AZRFGGZZEKRRQW-UHFFFAOYSA-N 428.528 6.471 30 10 IKEE CCc1ccc(C(=O)Oc2cc(C=CC(=O)c3cc(C)ccc3OC)ccc2OC)cc1 2325742915 PIDUGLNAKBLCFO-UHFFFAOYSA-N 430.500 5.690 30 10 IKEE CCCCC1CCC(C(=O)Oc2cccc(C=CC(=O)c3ccc(C(C)C)cc3)c2)CC1 2325750711 MCPFEUOFTDTCBU-UHFFFAOYSA-N 432.604 7.608 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC(=O)C(F)(F)F 2325753678 GZQWDJAMVPXRTN-UHFFFAOYSA-N 436.426 5.499 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cc(C)cc(C)c3)c2)c(OC)c1 2325760977 VLOYXZMRBXQIIG-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE CCCCCOc1ccc(C=Nn2c(CC)nnc2SCc2cc(C)cc(C)c2)cc1 2326406602 LHKKKZSMDDWPAP-UHFFFAOYSA-N 436.625 6.201 30 10 IKEE Cc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1c(Cl)ccc(Cl)c1Cl 2326660958 GBNNGERVKSDTHH-UHFFFAOYSA-N 436.755 5.593 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccccc3C)n2N=Cc2ccc[nH]2)CC1 2328120579 YXASNWNSAKMOFX-UHFFFAOYSA-N 435.641 6.553 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2sccc2C)c(C)c1 2328897900 KLSXZNLFGLQLGO-UHFFFAOYSA-N 448.617 6.018 30 10 IKEE C=CCOc1ccccc1C=Nn1c(Cc2ccc(C)c(C)c2)nnc1SCC(=C)C 2329421993 QGJZECCCXPBQTI-UHFFFAOYSA-N 432.593 5.601 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2Cl)n1N=Cc1c(OC)ccc2ccccc12 2329568784 UYVZIQFBUPHXSW-UHFFFAOYSA-N 448.979 6.311 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCc3ccccc3)nnc2[C@@H](C)c2ccccc2)c1 2330108754 QTIHAKRZQSJGIR-IBGZPJMESA-N 428.561 5.618 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2ccccc2)n1N=Cc1sccc1C 2330164769 QPDVCOAJJRRHRH-UHFFFAOYSA-N 432.618 5.916 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccccc3F)nnc2-c2cccs2)cc1 2330582178 BTLNGGQEGRXIQO-UHFFFAOYSA-N 438.553 5.719 30 10 IKEE O=C(Cc1ccccc1[N+](=O)[O-])Oc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1 2330651462 CXPHWMUXAWFGMP-UHFFFAOYSA-N 437.451 5.792 30 10 IKEE O=C(Cc1ccccc1Cl)Oc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1 2330678707 YUVQRCDRYYKZHL-UHFFFAOYSA-N 430.931 6.263 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)CCCCCC 2331156586 DTGWWMYBPVAVBN-UHFFFAOYSA-N 440.967 6.849 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)[C@H]1C[C@@H]1c1ccccc1Cl 2331183760 IQKVDISIVOSQPM-RTWAWAEBSA-N 432.903 5.954 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3c(F)cccc3Cl)c(Cl)c2)c(C)c1 2331222501 KNHNQBCBNPTYQX-UHFFFAOYSA-N 443.301 6.865 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1cccc(Cl)c1 2331386900 ZSPANHURXXSFRS-UHFFFAOYSA-N 429.933 5.312 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)c1ccccc1F 2331767634 WOCKSCCNWPZCMY-UHFFFAOYSA-N 448.490 5.883 30 10 IKEE CCC(=O)Oc1c(OC)cc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1OC 2331809753 UGCAARQIFDRYSR-UHFFFAOYSA-N 439.291 5.231 30 10 IKEE Cc1cccc(C(=O)Oc2ccc(C=CC(=O)c3cc(Cl)ccc3Cl)cc2Cl)c1 2331860055 RSAZQFBKJAAQPT-UHFFFAOYSA-N 445.729 7.071 30 10 IKEE Cc1c(Cl)cc(CN2CC[C@](C)(B3OC(C)(C)C(C)(C)O3)C2)cc1Br 2342549382 YLQKGSHDTBIYML-IBGZPJMESA-N 428.607 5.469 30 10 IKEE Cc1cc(Br)c(Oc2cccc(Cl)c2C#N)cc1NC(=O)OC(C)(C)C 2344220324 XMJCKYQAVNPGFP-UHFFFAOYSA-N 437.721 6.422 30 10 IKEE COC1(C#CC(=O)c2ccc(Br)cc2NC(=O)OC(C)(C)C)CCCCC1 2363732884 NLSYOPFLHNLFTI-UHFFFAOYSA-N 436.346 5.332 30 10 IKEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c(OC)ccc3ccccc13)N2 14544227 XRCGKSRTXIDTJE-LZCXECNNSA-N 446.572 5.139 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3F)nn1[C@H]2c1ccccc1 20850743 RKBBGNSVUHVKMK-NRFANRHFSA-N 434.540 5.368 30 10 IKEE CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2OC)C3)cc1 20881637 RVNZMNOPBOUCFD-VKGTZQKMSA-N 440.543 6.073 30 10 IKEE Cc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccc(OC(C)C)cc1)C2 21257550 XUTWATVLAMQPGZ-PBBNMVCDSA-N 438.571 6.762 30 10 IKEE COc1ccc(/C=N/Nc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)n2)c(OC)c1 33391073 GWEUMYGWCNOGLP-JVWAILMASA-N 428.467 5.413 30 10 IKEE COc1ccc(COc2ccc3c(c2)O/C(=C\c2cccc(Br)c2)C3=O)cc1 33514126 MTSHMTFRFVVBOW-UUYOSTAYSA-N 437.289 5.653 30 10 IKEE C=C(CC[C@H](C)[C@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C 33831157 XJLZCPIILZRCPS-ARAVHPMLSA-N 440.756 8.725 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C\c2ccccc2OC(=O)c2ccc(C(C)(C)C)cc2)c1 34955190 HUJZXPWSRODJEA-VBKFSLOCSA-N 444.527 6.117 30 10 IKEE CC(C)[C@@H](C)N(Cc1ccccc1C#N)Cc1cccn1Cc1cccc(C(F)(F)F)c1 35841216 PLDAIQVGENZVHD-HXUWFJFHSA-N 439.525 6.474 30 10 IKEE C=CCN(Cc1nccn1Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(Cl)cc1 35981352 XFGADRVFHJGZCV-UHFFFAOYSA-N 433.861 5.432 30 10 IKEE Cc1ccc(NC(=O)[C@@]23CC[C@@](C)(/C(=N\OC(=O)c4ccccc4)C2)C3(C)C)cc1Cl 38288299 JVMIGGPDZQUZPB-VPJVKGEQSA-N 438.955 6.016 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@@H]1c1cccc2ccccc12 40085952 BTNJMKXTRRJJQB-VWLOTQADSA-N 443.543 5.925 30 10 IKEE COc1ccc(CC(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1 41358287 YXOATHXPXLWJIH-QFEZKATASA-N 428.484 5.583 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(/N=C/c3c[nH]c4ccccc34)cc2)cc1[N+](=O)[O-] 44425511 JWYUHUOHGRJNDB-CXOJQHPZSA-N 425.444 5.731 30 10 IKEE Cc1cccc(/N=C2\C(=O)N(CN(C3CCCCC3)C3CCCCC3)c3ccccc32)c1 59377248 NAQODTRDNAQUQV-OHYPFYFLSA-N 429.608 6.387 30 10 IKEE Oc1ccccc1/C=N/c1cc(C(F)(F)F)ccc1Oc1ccc(C2CCCCC2)cc1 59516500 QJOCFGMWNMQBID-OCSSWDANSA-N 439.477 8.002 30 10 IKEE Cc1ccc(-c2c(C)sc3nc(C(C)C)n(Cc4cccc(C#N)c4)c(=O)c23)cc1C 96526470 MINCDQVPYVYASS-UHFFFAOYSA-N 427.573 6.094 30 10 IKEE CCCCCCCN1C(=O)/C(=C2/SC(=S)N(c3ccccc3)C2=O)c2ccccc21 100168648 KLFQIPUMZRQHOB-QZQOTICOSA-N 436.602 5.780 30 10 IKEE CCN1C(=O)C[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)S/C1=N\c1cccc(F)c1 100196091 GQKYEOYGWYSYCH-PWEHGMCJSA-N 440.327 5.113 30 10 IKEE Cc1ccc(COc2ccccc2/C=N\n2cnnc2SCc2ccc(Cl)cc2)cc1 139667629 YBAVDCNAOMOILA-VYYCAZPPSA-N 448.979 5.993 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2cccc(F)c2)c1 169928752 QSOYXQYIHZXTNX-QHCPKHFHSA-N 442.446 5.099 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(Oc3cc(C)cc(C)c3)cc2)NC(=S)N1 169937903 ZJJASPSVHDKXIX-XMMPIXPASA-N 428.557 5.771 30 10 IKEE Cc1ccc(-c2csc(N/N=C\c3cccc(OCc4ccc(Cl)cc4)c3)n2)c(C)c1 169940176 FMQQWDPPKVDDDE-VYYCAZPPSA-N 447.991 7.105 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1c1ccc(F)cc1 169940621 DIKKKBNHFNMPTN-QHCPKHFHSA-N 443.430 5.363 30 10 IKEE CCCOc1c(Cl)cc(/C=N\Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1Cl 169942078 QEJNHXPCFOSHKE-MYKKPKGFSA-N 434.392 6.969 30 10 IKEE COc1ccc(/C=N\Nc2nc(-c3ccccc3)cs2)cc1OCc1ccc(C)cc1 169942745 HEMDQWRRYQXDSY-YSMPRRRNSA-N 429.545 6.152 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(Cl)c2)[C@H]1c1ccccn1 169996513 GYEBASXKHPCZPK-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2C2CCCCC2)c1 170039577 FJZAPNQZTBPRPO-FQEVSTJZSA-N 440.565 5.070 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(Cl)cc1)c1ccc2ccccc2c1 170059876 NXIWEGZHKLVNLU-XMMPIXPASA-N 445.946 6.404 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccco2)cc1 170098090 PVVWSYJRBMCSDQ-HXUWFJFHSA-N 430.485 5.235 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2sccc2C)ccc1F 170107003 QXZNVBKUFYOOGU-LJQANCHMSA-N 441.911 5.940 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2cccc(C)c2)ccc1Cl 170141151 YFYFWEUTVCCDFC-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(C)c2)cc1 170148610 GPEKTNCIIPSDKW-RUZDIDTESA-N 447.575 6.085 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3c(OC)cccc3OC)[C@@H]2c2ccccc2)cc1 170224401 KXVHZUJMWYLUNL-DEOSSOPVSA-N 443.499 5.049 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccccc2)cc1 170228462 XPUQVIKQHRTBTC-VWLOTQADSA-N 430.463 5.494 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1ccccc1F 170248566 IEYYOIFXSXXBAU-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@@H]2c2ccccc2C)cc1 170276768 SMKLAOMZUYGABU-XMMPIXPASA-N 435.564 5.942 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@@H]1c1sccc1C 170318633 KTZQDNQJFXFUSX-OAQYLSRUSA-N 441.593 5.875 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cc(C)ccc2O)cc1 170454214 IDBHBOLLTGKPIQ-JOCHJYFZSA-N 436.552 5.062 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(OC(F)(F)F)cc2)c1 170458584 NPZBOZWHWJJMST-GOSISDBHSA-N 433.426 5.409 30 10 IKEE CCOc1cc(N(CC)CC)ccc1/C=C1\SC(=Nc2ccc(OC)cc2)N(C)C1=O 252596227 CHLBOIBYKICALE-IBORXNHRSA-N 439.581 5.174 30 10 IKEE Cc1ccc(N=C2S/C(=C\c3ccc(N(C)C)cc3)C(=O)N2CCc2ccccc2)cc1 254381834 PURNNGBZHLCNJK-PAPBZEPUSA-N 441.600 5.908 30 10 IKEE CCCCCCC[C@@H](NCCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 406726223 YDMGNLWRSWVYAT-LJQANCHMSA-N 441.454 7.197 30 10 IKEE COc1ccc2c(c1)c([C@@H]1C(c3cccs3)=C(O)C(=O)N1c1ccc(C#N)cc1)cn2C 526488952 NPHDGOALGVJAQR-HSZRJFAPSA-N 441.512 5.177 30 10 IKEE CCOc1cc(/C=N\n2c(C)nnc2SCc2cc(C)cc(C)c2)ccc1OC(C)C 526810133 YZXHGRGMFFNCHV-QFEZKATASA-N 438.597 5.564 30 10 IKEE Cc1ccc(CSc2nncn2/N=C\c2ccc(OCc3ccccc3)cc2)c(C)c1 526811005 XVWFMCVYVBSUPT-DICXZTSXSA-N 428.561 5.648 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1c(C)[nH]c2ccccc12 526821188 FZKKCGONOPYIFV-YSMPRRRNSA-N 425.561 5.958 30 10 IKEE C=CCN(c1ccc(OCC(C)C)cc1)S(=O)(=O)c1ccc(CCCCCC)cc1 586233864 QNDDVSSKJBRZOB-UHFFFAOYSA-N 429.626 6.226 30 10 IKEE CC(C)N1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Br)c2)CC1 698496224 HEZGQYSXRLOGML-NRFANRHFSA-N 436.394 5.347 30 10 IKEE COc1ccc(Br)c([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)c1 698852669 RNCHXLQUNRFFKJ-SFHVURJKSA-N 435.293 5.603 30 10 IKEE O=[N+]([O-])c1ccc(-c2sc(NN=Cc3ccccc3Cl)nc2-c2ccccc2)cc1 1084076024 RGLVGIZOZHILBT-UHFFFAOYSA-N 434.908 6.485 30 10 IKEE CCN(CC)c1ccc(N=Cc2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)cc1 1084140469 ZJOKADFAHMAVNY-UHFFFAOYSA-N 432.520 5.569 30 10 IKEE Cc1ccc(S(=O)(=O)NC(Cc2ccccc2)=Nc2cccc(C(F)(F)F)c2)cc1 1088672201 DMFQYEPUNQULJO-UHFFFAOYSA-N 432.467 5.265 30 10 IKEE CC(=C\c1ccccc1)/C=C1/S/C(=N/N=C/c2cccnc2)N(Cc2ccco2)C1=O 1615301032 QWXKTRALIQPCKW-LFVBXHOUSA-N 428.517 5.128 30 10 IKEE Cc1nnc(N=C2S/C(=C/C(Cl)=C/c3ccccc3)C(=O)N2C2CCCCC2)s1 1772733755 ANJKLGWEKDLBBO-XOFWCIAWSA-N 445.013 5.906 30 10 IKEE C/C(=C1/SC(=Nc2ccncc2Cl)N(C2CCCCC2)C1=O)c1ccc(N)cc1 1772734024 CGNCFGQGGLFOPT-NKFJNAIASA-N 426.973 5.644 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccccc2[N+](=O)[O-])SC1=Nc1nc(-c2ccccc2)cs1 1772739941 WTZQFGRASFRDMO-HOMYTQLHSA-N 448.529 5.508 30 10 IKEE N#Cc1ccc(NC(=O)c2cc(-c3cccc4c3CCCC4)n(Cc3ccccc3)n2)cc1 1859393329 KMGJXGOTDCDLTR-UHFFFAOYSA-N 432.527 5.601 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)Oc1ccc(C(C)C)cc1 1861674063 OOXWCOKZZRHRSK-DHLKQENFSA-N 444.660 5.825 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 1861821016 BTYJGSYREGKLTM-LJQANCHMSA-N 439.984 5.404 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2cccc(C)c2)cc1 1862389214 AOMCOSONBZHGCM-OLLUBJOZSA-N 445.603 6.495 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(Cl)cc1Cl 1862408165 FZFHTORBIKHAPV-ZUOKHONESA-N 448.346 5.687 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(OCC)c(OCC)c1 1862438487 MXGKMXBOXDBKKN-NRFANRHFSA-N 443.927 5.126 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc(OC)c1 1862474762 ULGOMTCNRIJECV-XUZZJYLKSA-N 435.564 5.941 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(F)cc1F 1862476968 GYVABBGHDPHUNP-WMZHIEFXSA-N 441.518 6.210 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862479426 HAORQJMZHHCPKG-DEOSSOPVSA-N 433.592 6.451 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2cccc(F)c2)c1 1862489311 UPVAFBKSQFENRH-XMMPIXPASA-N 447.481 5.403 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccc(Cl)cc2)ccc1F 1862503360 WEFJYBFANYOFHZ-HJPURHCSSA-N 449.909 6.127 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccc(CC)cc2)cc1 1862530850 ZHVLYYQQWKXYAN-AREMUKBSSA-N 443.587 6.280 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862533305 IRUMYHZXFVHDQU-VWLOTQADSA-N 442.559 6.031 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@@H]2c2cccc(C)c2)cc1 1862533806 OQWRSAZCVKGIAA-RUZDIDTESA-N 441.527 5.215 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2ccccc2C)cc1 1862534658 WMAVAMJWPPIMHN-VWLOTQADSA-N 425.528 5.644 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1C1CCCCCC1 1862544567 GQIAYBGWVPEQIQ-SANMLTNESA-N 443.587 6.175 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(CC)cc1 1862556230 RJURHSHADPVEIV-UPVQGACJSA-N 434.580 5.768 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1cccc(F)c1)c1cccc2ccccc12 1862649914 JNSHHESHFVYOEC-DEOSSOPVSA-N 438.458 5.152 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2Cc2ccccn2)cc1 1862650220 QGYXXAWOYIMCBB-AREMUKBSSA-N 448.522 5.576 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2ccccc2Cl)cc1 1862659993 DICZHXIPSGSNEO-QFIPXVFZSA-N 441.955 5.204 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2cccc(F)c2)cc1 1862661274 CNTPQZRYJMJUJF-HSZRJFAPSA-N 430.479 5.123 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1 1862663527 SOZCTGUTHIZDSG-VWLOTQADSA-N 448.607 5.293 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1 1862675516 MYLVHQXHIHZDIG-AVRDEDQJSA-N 441.499 5.174 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc(F)c1 1862714603 DMOWLCNPYUMOJH-XMMPIXPASA-N 431.507 6.138 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccc(C)c1 1862722518 SBTXIDBFUCNDMN-KBMIEXCESA-N 425.528 6.039 30 10 IKEE Cc1ccc(NC2=C(c3cccc4ccccc34)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862850187 LQKHVVHPBYBYRP-UHFFFAOYSA-N 429.479 5.417 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccc(C)c(Cl)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1863029669 UKJGZHHLYQJPDA-UHFFFAOYSA-N 441.918 5.534 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(Nc3cccc(C#N)c3)=C(c3cc(C)ccc3C)C2=O)cc1 1863402943 OYOPSHWPKJKABD-HXUWFJFHSA-N 449.554 5.691 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccccc2F)=C(c2ccc(Cl)cc2)C1=O 1863535684 POTIRUREDHLQPD-UHFFFAOYSA-N 442.962 5.709 30 10 IKEE CCCCCCCCNC1=C(c2c[nH]c3ccccc23)C(=O)N(CCc2cccs2)C1=O 1863816422 NHBGHDJRVKFOQW-UHFFFAOYSA-N 449.620 5.502 30 10 IKEE Cc1ccc([C@H](CC(=O)N[C@H](C(=O)Nc2ccc(C#N)cc2)c2ccccc2)C(C)C)cc1 1866742203 DDNBHUOWCJDNLW-VPUSJEBWSA-N 439.559 5.493 30 10 IKEE COc1ccccc1[C@H]1c2ccccc2CCN1c1cc(Nc2ccc(C#N)cc2)nc(C)n1 1868497219 YISBXNMZWZHGBU-MUUNZHRXSA-N 447.542 5.561 30 10 IKEE CCCCCCCOc1cn(C[C@H]2CCCO2)c(CSCc2ccccc2)cc1=O 1870252073 BSIQQIQSJUDDBP-HSZRJFAPSA-N 429.626 5.810 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2C)c(CN(CCO)CCCC)cc1=O 1870412710 HHPWCRMSAGHAHA-UHFFFAOYSA-N 442.644 5.149 30 10 IKEE CCCCCCCOc1cn(Cc2ccncc2)c(CN(CCCC)CCCC)cc1=O 1870413002 RFOQVBYQHHZGDA-UHFFFAOYSA-N 441.660 6.043 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(Cl)cc2)cn1CCc1ccccc1 1870440098 DIHPEUBIAXMHRC-UHFFFAOYSA-N 448.994 5.497 30 10 IKEE CCCCCCCCCCn1cc(OCCC)c(=O)cc1CN1CCC2(CC1)OCCO2 1870657778 RCMVAXPUHQDNJY-UHFFFAOYSA-N 448.648 5.117 30 10 IKEE CCCCCCCOc1cn(CC)c(CNc2cc(C(C)C)cc(C(C)C)c2)cc1=O 1870836443 WQVGEWVMWLLYSC-UHFFFAOYSA-N 426.645 7.076 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2)c(=O)cc1CNc1ccc(OC)cc1 1870898424 RDOBVOHLWPADTA-UHFFFAOYSA-N 448.607 6.409 30 10 IKEE CCCCCCCCCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)cc1 1871314034 PULFWTZJONLIFI-UHFFFAOYSA-N 440.635 7.949 30 10 IKEE CCCCCCCCNC(=O)c1cc(-c2ccc(C)cc2)c2ccc(OC)c(OC)c2c1 1871319591 JVFRJKXUIRKESD-UHFFFAOYSA-N 433.592 6.923 30 10 IKEE CCN(CC)CCN1COc2c(cc3c(c2C)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)C1 1871355925 MXLWDTHWQJXZDY-IWIPYMOSSA-N 448.607 5.402 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccco4)cc(C)c3C2=O)cc1 1871369270 CPRJQZMIUWVSLP-HDSGUETJSA-N 443.499 5.669 30 10 IKEE CC(C)OC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 1871400517 DKCTXHWWGRXAPH-AOBKZXEFSA-N 428.484 5.689 30 10 IKEE Cc1ccc(OCCCCOc2cc(C)c3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871404683 NZZWCKPDQDIGCM-BKNSOOSZSA-N 440.539 6.714 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1 1871406707 JJJBJAKPJFYWQR-SNNLMFDCSA-N 429.472 5.026 30 10 IKEE COc1ccc(OCCCOc2ccc3c(c2C)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871415435 BQGDHHOQTLDNIS-UQQQWYQISA-N 430.500 5.776 30 10 IKEE CCCCCCCCCCOC(=O)COc1ccc2c(c1)O/C(=C\c1cccs1)C2=O 1871427008 IPKXVRYWFRTDTB-QJOMJCCJSA-N 442.577 6.427 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3c(C)cccc3C)cc(C)c2C1=O 1871440395 MRHPNUASRRQMPV-QRVIBDJDSA-N 427.500 5.554 30 10 IKEE Cc1cc(C)c(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2)C3=O)c(C)c1 1871458194 FCDIPQQLSUMWIL-QRVIBDJDSA-N 427.500 5.554 30 10 IKEE C=CCN(CC=C)c1nc(=NCc2ccccc2C)nc(Nc2ccc(Cl)cc2C)[nH]1 1871567007 IHYXNJRWOBXGGT-UHFFFAOYSA-N 434.975 5.098 30 10 IKEE CCOC(=O)Oc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccccc3Cl)cs2)cc1 1872764146 DURGEVVOSQATPD-INIZCTEOSA-N 426.881 5.489 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)c2cccc3ccccc23)n1 1872777541 QBOHNZDOUISOHI-JOCHJYFZSA-N 440.568 6.759 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)CNC(=O)c2ccccc2)n1 1872785284 JYHFQIPZQNLZQS-FQEVSTJZSA-N 431.561 5.022 30 10 IKEE CCCCCCCCNC(=O)c1cccc(CSc2nc3ccccc3n2CCC)c1 1872891640 ISDLMAFOALBDFO-UHFFFAOYSA-N 437.653 6.829 30 10 IKEE CCCCCCCCN1C(=O)C(NC(C)C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166924 LLDQYQSHLCRVTD-UHFFFAOYSA-N 435.612 5.533 30 10 IKEE CCCCCCCCC(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 1873433956 LHZPXVFDPAKEOM-UHFFFAOYSA-N 426.626 6.246 30 10 IKEE CC(C)Cc1nnc(S)n1/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1873502596 QVTKGKPGUNWFII-FOKLQQMPSA-N 435.380 5.533 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/N=c2[nH]c3ccccc3[nH]c2=O)c(Cl)c1 1873792292 ALLPUQAGDMIVHN-YZSQISJMSA-N 440.975 5.574 30 10 IKEE CCCSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1ccccc1Cl 1874258677 CRSQCTUKEUPSGM-BUVRLJJBSA-N 428.989 5.847 30 10 IKEE CSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1ccc(Cl)cc1Cl 1874259446 AEAZUOZAYNMYPN-GZIVZEMBSA-N 429.279 5.046 30 10 IKEE Clc1ccccc1OCc1nnc(SCCc2ccccc2)n1/N=C/c1ccc[nH]1 1874267015 WOJHZISYMBVEJB-MFKUBSTISA-N 437.956 5.056 30 10 IKEE CCSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccccc1OC(C)C 1874267243 NOCNSWCNYAGMRI-YDZHTSKRSA-N 430.961 5.292 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2/N=C/c2cccc([N+](=O)[O-])c2)CC1 1874287435 FBQJUGTTWZOPAG-XQNSMLJCSA-N 429.590 6.035 30 10 IKEE Cc1cccc(/C=N/n2c(CCOc3ccccc3)nnc2SCc2cccc(C)c2)c1 1874344595 VNYPBZUEFXPUCV-OVVQPSECSA-N 442.588 5.691 30 10 IKEE CSc1nnc(-c2ccccc2Cl)n1/N=C/c1cccc(OCc2ccccc2)c1 1874364916 BACSKCZOSQKMHF-MFKUBSTISA-N 434.952 5.782 30 10 IKEE CCCSc1nnc(CCc2cccs2)n1/N=C/c1c(OC)ccc2ccccc12 1874372439 ZKRLMVVAGROABG-LFVJCYFKSA-N 436.606 5.671 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(COc2ccccc2)n1/N=C/c1ccc[nH]1 1874386270 HDGJFDSLQLMOQK-BRJLIKDPSA-N 441.919 5.152 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2Cl)n1/N=C/c1cccc(O)c1 1874400170 KGBUJRXCJSFYEV-AEIQVQRHSA-N 448.979 5.963 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3)n2/N=C/c2ccccc2F)c1 1874403488 CRHBDILWYPGTFZ-OGLMXYFKSA-N 444.579 5.994 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2cccs2)n1/N=C/c1ccc(N(C)C)cc1 1874410653 FLGZRAMDWOIBFW-PCLIKHOPSA-N 447.633 5.479 30 10 IKEE Cc1cccc(CSc2nnc(-c3cccs3)n2/N=C/c2ccccc2C(=O)O)c1 1874421918 LHHAGJIWEXRPSM-YDZHTSKRSA-N 434.546 5.188 30 10 IKEE FC(F)(F)c1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2)cc1 1874428198 WKOOHGYXAGIXQX-JFLMPSFJSA-N 438.478 6.138 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2[C@@H]2CCCO2)c1 1874449721 KDBHWMFPJVHQHM-LRULAXNGSA-N 428.561 5.766 30 10 IKEE CN(C)c1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CCCC2)cc1 1874455867 OBRIGFYGMFBPPW-MFKUBSTISA-N 440.016 5.830 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2-c2ccco2)cc1 1874468042 OLHPJJKLKPAAAG-CVKSISIWSA-N 428.492 6.005 30 10 IKEE CCCCc1nnc(SC)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 1874475452 ASWCLMDDESMTEQ-ZVHZXABRSA-N 444.988 5.466 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2cccc(Cl)c2)cc1 1874489172 DMEKKLMEDLROJQ-ZMOGYAJESA-N 441.988 5.051 30 10 IKEE O=[N+]([O-])c1ccccc1/C=N/n1c(SCc2c(Cl)cccc2Cl)nnc1C1CC1 1874521291 LDGRJDOSHISMQR-LSHDLFTRSA-N 448.335 5.545 30 10 IKEE COC(=O)COc1ccc(Br)cc1/C=C/C(=O)c1cc(C(C)(C)C)ccc1C 1874589963 LWADIKBTTWRMAR-JXMROGBWSA-N 445.353 5.503 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCc2cc(C)ccc2C)c(OC)c1OC 1874592118 DMJSZKBBPZGVRP-WYMLVPIESA-N 432.516 5.804 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OCC(=O)Nc1ccccc1C 1874596269 KTYIRJZIYQCHAO-JLHYYAGUSA-N 429.516 5.534 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1OCc1cccc2ccccc12 1874597465 OKSLTKDXWSTLKI-FBMGVBCBSA-N 444.530 7.477 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3C)c(OC)c2)cc1 1874604731 CGTWQVQWQAYDME-RVDMUPIBSA-N 429.516 5.480 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c([N+](=O)[O-])c2)c(C)c1 1874617722 QIIFTASYYXWTSA-NYYWCZLTSA-N 448.450 5.264 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OCc3ccccc3C)c(Br)c2)ccc1F 1874618920 ZTSOOIZSKCYLIT-YRNVUSSQSA-N 439.324 6.680 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OCc1cccc2ccccc12 1874620111 JRRSXWQYMZZABG-RVDMUPIBSA-N 440.514 7.161 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(OC)c1OCc1ccc(F)cc1 1874620947 BLYCYMLQRCBKQE-WEVVVXLNSA-N 436.435 5.047 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3C)c(OC)c2)cc1F 1874623511 GPBYWNXMLRCVDH-DHZHZOJOSA-N 449.478 5.065 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(OCC(C)C)cc3)c2)cc1 1874698118 WSVIBBPWZACFAC-FRKPEAEDSA-N 430.500 5.845 30 10 IKEE Cc1cc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2)ccc1F 1874703938 OODCSNJNOFGATJ-BJMVGYQFSA-N 439.826 5.811 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1OC(=O)c1cc(C)cc(C)c1 1874704409 NNHQKSYPSAVKIU-VQHVLOKHSA-N 430.500 5.744 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccccc3OC)c2)c(OCC)c1 1874714836 QEGBEGBPPKEGQD-DTQAZKPQSA-N 446.499 5.608 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(Cl)cc2)CSc2nnc(CC(C)C)n21 1874886753 NMFIRVTYEOTVCK-FQEVSTJZSA-N 449.064 6.192 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1ccncc1 1875083006 YSOYKUUOMIRBPE-RIYZIHGNSA-N 449.506 6.263 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(Cl)c1OC(=O)C(C)(C)C 1875097055 SKVVCQCLNKWKKU-FMIVXFBMSA-N 426.940 6.075 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1cccc(F)c1 1875099260 YOSSKZNWBLRJOW-UKTHLTGXSA-N 430.475 5.828 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)cc3)c([N+](=O)[O-])c2)c1 1875102105 LRUAEBUJKPGJBY-VZUCSPMQSA-N 437.835 5.372 30 10 IKEE Cc1cccc(C)c1OCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1 1875111417 ICQWFWQJAZELQR-SAPNQHFASA-N 448.946 6.618 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(C)c(C)c1 1875116394 ZJUJFCZNDLBAKY-AWNIVKPZSA-N 445.471 5.726 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC(=O)C1CCC1 1875118098 RCAFGEUVOKPYGR-IZZDOVSWSA-N 429.856 5.249 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc(Cl)c1OC(=O)CC(C)C 1875146365 QWWTVQDUSLJNPS-FNORWQNLSA-N 444.911 5.358 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1ccc(F)cc1 1875158207 KRNXOOFLANNZLH-QQDOKKFESA-N 425.799 5.503 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)cc3F)cc2)c(C)c1C 1875167395 CJSCPCXVJKMEDS-WUXMJOGZSA-N 436.454 5.634 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)CCc1ccccc1 1875171834 PCJNTYQQPXMFLX-JLHYYAGUSA-N 444.527 5.755 30 10 IKEE O=C(Nc1cc(C(F)(F)F)ccc1F)c1cccc(Oc2ccc(C(F)(F)F)cc2)c1 1890703153 LTROBZAFAGXWNO-UHFFFAOYSA-N 443.318 6.908 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[C@H](C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1890762824 KWFZFYJOFAWMIE-ZCNNSNEGSA-N 429.561 5.009 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@@]1(C#N)[C@@H](CNC(=O)OC(C)(C)C)CCCC12CCC2 1924828354 IBYQUNWMUYCGTA-CLOONOSVSA-N 449.636 5.637 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1[C@H](C2CC2)CCN1C(=O)OC(C)(C)C 1950328220 FYCVTHWZGMZNJG-HJOGWXRNSA-N 428.617 5.163 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1[C@@H](NC(=O)OC(C)(C)C)[C@H]2CCC[C@H]21 2005466101 MVTBCFNEFAHMBV-DFWAIWNTSA-N 428.617 5.067 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(CC2CC2)C(=O)OC(C)(C)C)C[C@@H]1C1CCC1 2018419915 MXOFATBBGQJZLQ-DVECYGJZSA-N 433.593 5.095 30 10 IKEE C=CCCCCCCCC[C@@H](N)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2026313167 LVMQIZCDHLNBPN-XMMPIXPASA-N 431.665 5.647 30 10 IKEE C=CCNC(=O)[C@H](C)OC(=O)c1c2c(nc3ccccc13)C(=Cc1cccs1)CCC2 2041502860 BIPIQBZJHZFACR-INIZCTEOSA-N 432.545 5.021 30 10 IKEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](N(Cc2ccccc2)C2CN(C(=O)OC(C)(C)C)C2)C1 2054196166 DQUANUIJGMDMSY-CQOQZXRMSA-N 439.644 5.853 30 10 IKEE CC(C)(C)OC(=O)NC1CC2(CC[C@]2(C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 2064203280 OQVHSHVCLXQQNG-FSEIRDBJSA-N 445.535 5.297 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)CC23CC3)cc1 2065973716 QALYCAPACINEKE-VWLOTQADSA-N 441.572 5.420 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@]1(C#N)C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21 2070328364 QHUKAJHSKMPSBR-NEGYVOTHSA-N 438.612 6.224 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2070602163 FJFWPASTEWYHHX-OSPHWJPCSA-N 447.551 5.497 30 10 IKEE CC[C@H](c1ccc(C2CC2)cc1)n1nc(C(C)C)c(/C=N/O)c1I 2079023131 NTJKZDVSUGRKET-LASGFXPTSA-N 437.325 5.296 30 10 IKEE Fc1cc(C(F)(F)F)ccc1Cn1nc(C2CCC2)c(C(F)(F)F)c1Br 2079824262 USGNHAPSRBIEDH-UHFFFAOYSA-N 445.176 6.138 30 10 IKEE CCCc1ccc([C@@H](n2nc(CC)c(C#N)c2I)C2(C)CC2)cc1 2080005430 KTAOMLPXAXJMHW-GOSISDBHSA-N 433.337 5.264 30 10 IKEE CC(C)Oc1ccc([C@H](n2nc(C3CCC3)c(C=NO)c2Br)C2(C)CC2)cc1 2080125657 IYTBSADVDPITCD-FQEVSTJZSA-N 446.389 5.898 30 10 IKEE C=CCN(CCC(=O)Nc1ccc(Br)c(Cl)c1C)C(=O)OC(C)(C)C 2082801460 DZRSANIMJVNFLH-UHFFFAOYSA-N 431.758 5.163 30 10 IKEE C=CCCCCCCCC[C@@H](O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2086264094 OKVOFGZUNRVGNL-SQHAQQRYSA-N 444.660 5.824 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CN(Cc3ccccc3)C3(CCC3)C2)cc1 2099251530 XOCMDYHFBDLRCI-MHZLTWQESA-N 447.579 5.528 30 10 IKEE CC(C)[C@H]1CC=C(C(=O)c2ccc(Br)cc2I)CC1 2142287803 GBKUBLOCKXWCJA-NSHDSACASA-N 433.127 5.619 30 10 IKEE Clc1ccc(N=C2N[C@H](C3CCCC3)CS2)c(Cl)c1I 2150345279 HGDOJUISQXIIHP-NSHDSACASA-N 441.165 5.481 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@]2(Nc3cc(Br)cc(F)c3C#N)CCC[C@H]12 2163689474 GSDONTHVEPNEJM-FXAWDEMLSA-N 438.341 5.194 30 10 IKEE CC(C)CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(Br)cc1C#N 2174809356 YTLYCHDLLQTAFO-SFHVURJKSA-N 436.394 5.183 30 10 IKEE CC(C)N(C[C@H]1CCCCN1C(=O)OC(C)(C)C)c1cccc(Br)c1C#N 2174810640 OPQFSECVTDBRPQ-MRXNPFEDSA-N 436.394 5.325 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCCN1c1ccc(C#N)cc1Br 2174813354 VFBNGYRSZBQCFF-MOPGFXCFSA-N 434.378 5.079 30 10 IKEE CC(C)(C)OC(=O)NCC1(F)CCC(CNc2ccc(C#N)c(Br)c2)CC1 2178646537 QZKVCJOLVMMLSK-UHFFFAOYSA-N 440.357 5.156 30 10 IKEE CCCCC#CC[C@H](NC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2203808098 SKSIFKUSAFOFMT-VQTJNVASSA-N 437.422 5.057 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[C@@]2(C#N)N(C(=O)OC(C)(C)C)C2CCCC2)C1 2218417973 PQULTOFTAMOBOU-BSWQBHCVSA-N 447.620 5.486 30 10 IKEE CC(C)(C)OC(=O)NCC1(C(=O)C#Cc2ccccc2Br)CCCCCC1 2235717305 AMTUCWVLBPETQX-UHFFFAOYSA-N 434.374 5.235 30 10 IKEE C[C@@H](COCc1ccccc1)COCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2252729168 WKDVZBXLOMRVRL-SFHVURJKSA-N 430.781 5.009 30 10 IKEE C=C(C)CCCC[C@H](N)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2271755845 OIORBSYYWWACSP-RBUKOAKNSA-N 425.411 5.349 30 10 IKEE CC1(C)OB(c2ccc3nccc(N(Cc4ccccc4)Cc4ccco4)c3c2)OC1(C)C 2285398573 SJMNSTJWPBOTQH-UHFFFAOYSA-N 440.352 5.334 30 10 IKEE Cc1cccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)c1 2296114346 XXNYPZYFQKYNGI-XMMPIXPASA-N 440.455 5.086 30 10 IKEE O=C1NC(=Nc2ccccc2)NC1=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 2297321480 NYIMWDWEKSPBAR-UHFFFAOYSA-N 438.314 5.320 30 10 IKEE CCN(CC)c1ccc(C=CC(=O)c2cc3cc(Br)ccc3oc2=O)cc1 2297413718 KIJRQVPYDMVTPI-UHFFFAOYSA-N 426.310 5.298 30 10 IKEE CN[C@@H](C#Cc1cccs1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2316464329 ZSISREIVCVPPEN-SANMLTNESA-N 439.580 6.218 30 10 IKEE Cc1cc(OCc2ccc([N+](=O)[O-])cc2)cc2c1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)O2 2321851221 CGZIGBJSLWINQQ-UHFFFAOYSA-N 432.388 5.007 30 10 IKEE COc1ccc(CCN2COc3cc(C)c4c(c3C2)OC(=Cc2cccs2)C4=O)cc1 2321937432 AOLMYEDPWDDWEK-UHFFFAOYSA-N 433.529 5.076 30 10 IKEE CCCCC[C@H](CC)N1COc2ccc3c(c2C1)OC(=Cc1ccc([N+](=O)[O-])cc1)C3=O 2322071917 FFYXTIPVWQPKAH-SFHVURJKSA-N 436.508 5.722 30 10 IKEE CCCCCN1COc2c(cc3c(c2C)OC(=Cc2cn(C)c4ccc(OC)cc24)C3=O)C1 2322346857 BKOREACHWPBCOG-UHFFFAOYSA-N 446.547 5.454 30 10 IKEE CCOc1ccccc1C=C1Oc2c(cc3c(c2C)OCN([C@@H]2CCCC[C@@H]2C)C3)C1=O 2322391864 YTTICJALBRWRHW-HTAPYJJXSA-N 433.548 5.741 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Cl)ccc1OCC(=O)NC1CCCCC1 2322481533 AKTFOQGZFFQKOU-UHFFFAOYSA-N 427.928 5.072 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)c1OCc1ccccc1C 2322585920 DDGXKXCJGDJACC-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)c1OCC(=O)NC1CCCCC1 2322687696 WZYVBGUDAFNLPK-UHFFFAOYSA-N 449.591 5.717 30 10 IKEE COc1ccccc1C(=O)Oc1cc(C)c2c(c1)OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2322698862 YLRPWWWVLFKFPG-UHFFFAOYSA-N 442.511 6.137 30 10 IKEE Cc1ccc(C(=O)C=Cc2c(OCc3cccc(Cl)c3)ccc3ccccc23)cc1C 2322886645 SLRMCCXPALIQAV-UHFFFAOYSA-N 426.943 7.585 30 10 IKEE O=C(COc1cccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)c1)Nc1ccccc1 2323044271 AUSZJHBBGIBROB-UHFFFAOYSA-N 433.507 6.267 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc1OCC(=O)OCC(C)C 2323290958 XJDBWGUORQQQIT-UHFFFAOYSA-N 446.927 5.140 30 10 IKEE CCOc1ccc(CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2F)C3=O)cc1 2323371006 PMAFYHJTSADWBH-UHFFFAOYSA-N 432.447 5.297 30 10 IKEE Cc1cc(OC(=O)Cc2cc(Cl)ccc2Cl)cc2c1C(=O)C(=Cc1ccco1)O2 2323404271 QHBWAPIKHXNCIP-UHFFFAOYSA-N 429.255 5.659 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1)Nc1ccccc1 2323580931 CPBVNJGBIGZMOD-UHFFFAOYSA-N 436.305 5.363 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2cccc(Br)c2)cc1)Nc1ccccc1 2323652181 UWSJLBPORPHFIB-UHFFFAOYSA-N 436.305 5.363 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2OC)cc(OC)c1OCc1cccc(Cl)c1 2323718678 OUDWOVVUTHOJJG-UHFFFAOYSA-N 448.946 6.561 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(CC)cc2)C3=O)c1 2323831603 JHXGOGVHNWBBKC-UHFFFAOYSA-N 428.484 5.873 30 10 IKEE CCOc1cc(C=NNc2nc(-c3ccc(C)cc3)cs2)cc(Br)c1OC 2323840672 JNTIMMCJOIRISJ-UHFFFAOYSA-N 446.370 5.734 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OCC(=O)Nc1ccc(C)c(C)c1 2323870562 IIQCVJORBDRQEG-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OCc1ccc(Cl)cc1 2324197060 KBDXFVKMYDKQND-UHFFFAOYSA-N 436.910 6.691 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OCCc2ccccc2)c(Cl)c1 2324220586 DBTDVCYXKNMKFF-UHFFFAOYSA-N 448.990 7.164 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(OCC)ccc2OCC)cc(OC)c1OCC(=C)C 2324402072 JPFJAQNSAIMETI-UHFFFAOYSA-N 436.548 6.072 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2cccc(F)c2)C3=O)c1 2324455659 BPECHEXRLOMYBL-QGZVFWFLSA-N 431.463 5.465 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCCOc4ccc(OC)cc4)cc(C)c3C2=O)cc1 2324684528 AJHVYCORHNKOKW-UHFFFAOYSA-N 446.499 5.476 30 10 IKEE N#C[C@H](C(=O)C=Cc1ccc(Cl)cc1Cl)c1nc(-c2ccc(F)c(F)c2)cs1 2324688355 XXEPXJFTAXAFCM-CQSZACIVSA-N 435.282 6.285 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1cccc(Cl)c1 2325571831 ZDVNTGQUTBXPNR-UHFFFAOYSA-N 439.799 6.365 30 10 IKEE CC(C)COc1ccc(C(=O)Oc2cccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 2325686402 NHGRAWPXDIDBNH-UHFFFAOYSA-N 445.471 5.745 30 10 IKEE CCCOc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3cccc(OC)c3)c2)cc1 2325707409 LEFGPSSYVSKBKQ-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1OC(=O)Cc1ccc(F)cc1 2325754991 SKHCVPFQOAWDDO-UHFFFAOYSA-N 448.490 5.504 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(F)c(F)c3F)c2)c(OC)c1 2325761805 ZOOMPUNEXMTZLD-UHFFFAOYSA-N 442.389 5.236 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC(=O)COc2ccccc2)c1 2325765744 MDPMDLWITZKYQX-UHFFFAOYSA-N 428.528 6.173 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2cccc(C=CC(=O)c3cc(Cl)ccc3Cl)c2)c1 2325773590 IUEIGSSPNCPCDF-UHFFFAOYSA-N 439.338 6.654 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC)c3ccccc23)cc1OC(=O)c1cccs1 2325775840 SRCDWYVOOIKGTF-UHFFFAOYSA-N 444.508 6.034 30 10 IKEE C=C(C)CSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1cccn1C 2325912469 BPGBQYCDKCOECU-UHFFFAOYSA-N 436.368 5.053 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@]12C[C@H](CCN1C(=O)OC(C)(C)C)C2 2326632436 YEFGGGIMPZYNIA-JVFUWBCBSA-N 441.572 5.418 30 10 IKEE C=CCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1ccc(OCC)cc1 2327029977 ROBHYDHSHNSXIY-UHFFFAOYSA-N 436.581 5.157 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCCc2ccccc2)n1N=Cc1ccccc1 2328558562 AXLWJUDBEARXQI-UHFFFAOYSA-N 442.588 5.691 30 10 IKEE CCCSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1ccc(Cl)c(Cl)c1 2328799244 RTBQMTGKBPSRHS-UHFFFAOYSA-N 449.407 6.165 30 10 IKEE CCCSc1nnc(COc2cccc(C)c2C)n1N=Cc1ccc(Cl)c(Cl)c1 2328858482 XBSZGCLDNXDXAR-UHFFFAOYSA-N 449.407 6.165 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2cccc(F)c2)cc1 2329246835 FZZCLXVUZALBRG-UHFFFAOYSA-N 446.551 5.500 30 10 IKEE Cc1ccc(Cc2nnc(SCCCO)n2N=Cc2ccc(Cl)c(Cl)c2)cc1C 2329453083 BOGOUOGWOFYNAY-UHFFFAOYSA-N 449.407 5.149 30 10 IKEE Clc1cccc(C=Nn2c(COc3ccccc3)nnc2SCc2ccccc2)c1 2329918843 HVMOEQBWZFPRDD-UHFFFAOYSA-N 434.952 5.685 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(F)cc1 2330063680 BYJQMYVAHNGQIP-KRWDZBQOSA-N 434.515 5.883 30 10 IKEE Cc1ccc(O)c(C=Nn2c(CC3CCCCC3)nnc2SCCc2ccccc2)c1 2330275856 MVQKBADHNAHTEF-UHFFFAOYSA-N 434.609 5.632 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1N=Cc1ccccc1 2330640026 MJPVQZQMFOMKOO-UHFFFAOYSA-N 441.560 5.121 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)c1ccc2ccccc2c1 2330651468 DHGBHDVNLPGNKB-UHFFFAOYSA-N 447.317 7.262 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCCc2ccccc2)nnc1-c1ccccc1 2330676839 ZBIURMLWNWRNBI-UHFFFAOYSA-N 440.572 5.727 30 10 IKEE C=C(C)CSc1nnc([C@@H]2CCCO2)n1N=Cc1ccc(OCCCC)c(OCC)c1 2330953306 OWQZMHLCBMOSHI-FQEVSTJZSA-N 444.601 5.258 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)cc3)cc2[N+](=O)[O-])cc1 2330970871 RLAFZSBHLJRIOJ-UHFFFAOYSA-N 431.444 5.281 30 10 IKEE O=C(O)c1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CCCC2)cc1 2331076211 TWZXBNPXJDAIKM-UHFFFAOYSA-N 440.956 5.462 30 10 IKEE Oc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CCCC2)cc1 2331084340 BGJKPSIPWDUFRW-UHFFFAOYSA-N 428.561 5.969 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)CC1CCCCC1 2331085468 PEAXXDBFOCULJR-UHFFFAOYSA-N 444.474 5.754 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)c1cc2ccccc2n1C 2331293737 WPOKLRJVGMEYDM-UHFFFAOYSA-N 425.484 5.611 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)Cc2ccccc2F)c(Cl)c1 2331358587 PJHLLCVULSYWBW-UHFFFAOYSA-N 438.882 5.840 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)Cc1ccc(C)c(C)c1 2331517554 HTWAXVSIYYYTGY-UHFFFAOYSA-N 448.490 5.504 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)C(C)(C)C)c([N+](=O)[O-])c1 2331549177 PQKCDCCVQCVENW-UHFFFAOYSA-N 439.508 5.749 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)CC3CCCCC3)c([N+](=O)[O-])c2)c(C)c1 2331768929 JURSDYHTMSGAAO-UHFFFAOYSA-N 435.520 6.292 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)C[C@@H]2CCCC[C@]2(C)C1 2354152325 YFUPERFSTXUUCB-USCONSEESA-N 433.390 6.443 30 10 IKEE CC#CCN(C[C@@H](NCCC)c1ccc(Br)cc1CC)C(=O)OC(C)(C)C 2363127859 CAHXCPWHOJJYRL-HXUWFJFHSA-N 437.422 5.313 30 10 IKEE COc1cc(Br)cc(/C=N/c2cccc(NC(=O)c3ccccc3)c2)c1O 1502298 WKQNFYQFYMPNFW-YDZHTSKRSA-N 425.282 5.166 30 10 IKEE CC(C)c1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c(Br)c1 1984349 XSPVMPDMUDPOQI-ZDUSSCGKSA-N 447.398 5.648 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O)c1ccc(Cl)cc1 2408038 FGIPYFJMWNMGHM-JJFYIABZSA-N 425.267 5.871 30 10 IKEE COc1cc(/C=N/N=C(\C(=O)c2ccccc2)c2ccccc2)ccc1OCCC(C)C 3269080 CPGSPRFKDLBXDQ-ODVQESNOSA-N 428.532 5.826 30 10 IKEE C=C1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1C 4097725 XWMMEBCFHUKHEX-CWFQSGEHSA-N 426.729 8.025 30 10 IKEE in-vitro Cc1cccc(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)c1C 8589806 WELGHBZPCGILOK-UHFFFAOYSA-N 447.507 6.048 30 10 IKEE N#Cc1c(-c2ccc(Br)cc2)cc(-c2ccccc2)nc1OCc1ccccc1 13590162 IJACACDSRXLBHV-UHFFFAOYSA-N 441.328 6.629 30 10 IKEE CCOc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(CC)cc2)C3)c1 21253324 AQDZSYXNTYIEKJ-ZTOMLWHTSA-N 438.571 6.627 30 10 IKEE C=CCOC(=O)c1sc(NC(=O)[C@H](C)Sc2cc(C)c3cccc(C)c3n2)nc1C 32528783 KXFYKONKHUEJGH-HNNXBMFYSA-N 441.578 5.079 30 10 IKEE CN1C/C(=C\c2cccc(Br)c2)C(=O)/C(=C/c2cccc(Br)c2)C1 33692503 KHBXHLSTIOLHQI-GONBZBRSSA-N 447.170 5.193 30 10 IKEE COc1cccc(/C=C\C(=O)c2c(-c3ccccc3)c3cc([N+](=O)[O-])ccc3[nH]c2=O)c1 33907392 JLYBIWMRLQKUMJ-RAXLEYEMSA-N 426.428 5.008 30 10 IKEE Cc1cc(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)c(C)n1-c1ccc(F)c(Cl)c1 34387833 AJVBCOIYFUEUHF-KEBDBYFISA-N 443.906 5.917 30 10 IKEE CCOc1ccc2oc(C)c(C(=O)Oc3ccc(C(=O)/C=C/c4ccccc4F)cc3)c2c1 34955169 LUUXXBCDZCUNQJ-GXDHUFHOSA-N 444.458 6.394 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\Oc3ccc(Cl)cc3C2=O)cc1C 39842472 QTTQPTAXONQWHF-CFRMEGHHSA-N 442.902 6.126 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)S/C1=N/c1nnc(C)s1 39866322 CRVZYFBJQHHSQV-SYFXMVHNSA-N 442.953 5.550 30 10 IKEE COc1cccc(/C(CSc2nc3ccccc3[nH]2)=N\Nc2ccc([N+](=O)[O-])cc2)c1 59460528 WFSMCZYHNQRFKK-QLYXXIJNSA-N 433.493 5.088 30 10 IKEE CCCOC(=O)c1cccc(-c2ccc(/C=N/c3c(C)n(C)n(-c4ccccc4)c3=O)o2)c1 59862774 UZODGGGHHBEZAA-WPWMEQJKSA-N 443.503 5.062 30 10 IKEE CCCCCCCCCCCCCCCCNCc1ccccc1OCCCCCCC 100125438 KDYUATCUJONKNJ-UHFFFAOYSA-N 445.776 9.607 30 10 IKEE CCCCCCCCCCCCCC(=O)Nc1ccc(OCCC2CCCCC2)cc1 100442277 ZVQLBDOTTGHZLY-UHFFFAOYSA-N 429.689 8.675 30 10 IKEE Fc1c(F)c(F)c(C(F)(F)C(F)(F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F 103558341 JLFMQPDFADTRRV-UHFFFAOYSA-N 434.126 5.961 30 10 IKEE C[C@@H](NC(=O)C[C@H]1S/C(=N/c2ccccc2)N(c2ccccc2)C1=O)c1ccccc1 103715917 ZTAJNUUCTRKCMJ-ZHROLZFMSA-N 429.545 5.090 30 10 IKEE CCCN1C(=S)N[C@H](c2ccc(OC)c(OCc3ccc(C)cc3)c2)C(C(C)=O)=C1C 169930320 PBHDCOMETSAZLS-XMMPIXPASA-N 438.593 5.087 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(Oc3cccc(C)c3C)cc2)NC(=S)N1C 169935233 XBEUFULZARDCBN-RUZDIDTESA-N 442.584 6.114 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2cccc(C)c2)cc1 169969847 NGIHQFHDSXZHOF-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@H]1c1cccs1 169987150 FWYXBEJGLWHNPC-JOCHJYFZSA-N 437.948 5.812 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccccc1OC 170125423 ASFFLJPSVRGSSI-QHCPKHFHSA-N 437.536 5.027 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(OC)c(Cl)c2)=C(c2ccc(Cl)cc2Cl)C1=O 170134896 PZIFPZBNHACRMK-UHFFFAOYSA-N 437.710 5.033 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@H]1c1cccc(C)c1 170146643 CYKRLNHUKLYFIV-HXUWFJFHSA-N 442.353 5.444 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccs2)cc1 170163905 QKOGRXHVQQTQME-OAQYLSRUSA-N 425.550 5.446 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccccn2)cc1 170171015 XDIAMKKEXKLRFK-VWLOTQADSA-N 434.495 5.580 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2cccnc2)cc1C(C)C 170184098 HIWOMSJLEVFBKS-HSZRJFAPSA-N 446.478 5.136 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2cccnc2)c1 170190045 ZJEQCDARMHLUEZ-DEOSSOPVSA-N 436.467 5.032 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccncc2)cc1 170201083 DTZCIYWQVYXVGL-XMMPIXPASA-N 442.515 5.214 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@H]1c1cccc(OCC)c1 170218240 MZTTZGOMQSPMKX-HXUWFJFHSA-N 443.927 5.044 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccc2)cc1 170222788 SCNAPBLIAQKIOJ-DEOSSOPVSA-N 445.490 5.643 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(F)cc1)c1cc2ccccc2o1 170237338 DODLCIKTPUKJFW-OAQYLSRUSA-N 433.460 5.412 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(F)cc2)cc1C 170239951 VNTPCZMDXSYFKE-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2F)c1 170248100 URWOVAIMDLRLDU-QHCPKHFHSA-N 449.453 5.537 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1ccccc1F)c1ccc2c(c1)CCCC2 170248808 BMZYVUCWBXMKPG-DEOSSOPVSA-N 443.474 5.193 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccco2)c1C 170286007 IOIYUPWMAMMQTM-QHCPKHFHSA-N 431.488 5.467 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccco1)c1cccc2ccccc12 170286946 GEIARSZJHSNQQP-QFIPXVFZSA-N 429.859 5.869 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(Cl)c3)[C@@H]2c2ccco2)cc1 170289779 RXDJXCLSAVJEBH-IBGZPJMESA-N 439.254 5.241 30 10 IKEE Cn1cc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(Cl)cc2)c2ccccc21 170395807 UNWNSWIMMNKLST-OAQYLSRUSA-N 432.863 5.208 30 10 IKEE COc1ccc(C=NOCc2nnc(-c3ccc(F)cc3)o2)cc1OCc1ccccc1 254569892 XIUOQEMBJCEVNM-UHFFFAOYSA-N 433.439 5.014 30 10 IKEE CC(=Nc1ccccc1)C1=C(O)C=C(c2ccccc2)C[C@@H]1c1ccc(Br)cc1 254741885 NXPSCNHCWFSEKP-XMMPIXPASA-N 444.372 7.625 30 10 IKEE CC(=NN1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccc(Br)cc1)c1ccccc1 254757377 MNOLWTJPNGKKBZ-DEOSSOPVSA-N 448.364 5.216 30 10 IKEE CCN1C(=O)/C(=C\c2cc(Br)ccc2OC)SC1=Nc1ccc(OC)cc1 254761050 PWIIMESHJDHVBA-FNLGWUMESA-N 447.354 5.090 30 10 IKEE C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CCC2=NN=Cc1ccc(OC(F)F)cc1 254866021 VGYMEBWQLDCBIR-VUMQFKOGSA-N 438.518 6.325 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2c(C)n(C)c3ccccc23)cc1 526487064 UHEPGDHMZJBMHX-AREMUKBSSA-N 449.510 5.424 30 10 IKEE CC(C)c1ccc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526516678 QFYYGHCOKGHZGF-XMMPIXPASA-N 428.919 6.392 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1c(C)[nH]c2ccccc12 526807304 UCIJSLXFOXISGD-QFEZKATASA-N 438.000 6.238 30 10 IKEE CCCCc1nnc(SCc2cccc(C(=O)OC)c2)n1/N=C\c1ccc(CC)cc1 526827409 YPMPGLXQZTYLII-XYGWBWBKSA-N 436.581 5.144 30 10 IKEE CCCCCCCC/C=C\CCCCCCC(=O)OC[C@@H](O)C[C@@H](F)P(=O)(O)O 575327252 JULQXOLTHLIRSX-FQPAOGJPSA-N 438.517 5.401 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 698906517 ZRCQGZVYSOQAEB-HJPURHCSSA-N 433.524 5.106 30 10 IKEE CCCCCCCCCC[C@@H](O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 705486956 LEDMFYFFSIYIIZ-QPTUXGOLSA-N 435.649 6.377 30 10 IKEE COC(=O)c1c(N=Cc2ccc(OC(C)=O)c(OC)c2)sc(Cc2ccccc2)c1C 1084201884 IUFYPEGLMDRGEL-UHFFFAOYSA-N 437.517 5.118 30 10 IKEE CCOc1cc(/C=C2\SC(=Nc3nc(-c4ccccc4)cs3)N(C)C2=O)ccc1O 1772735149 FYTURXVGRFDVGW-PNVGRYOSSA-N 437.546 5.148 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)SC1=Nc1nccs1 1772736127 RUFQOFQZMICEOF-POLMPROESA-N 447.585 5.821 30 10 IKEE CCOc1ccc(/C=C2\SC(=Nc3nc(-c4ccccc4)cs3)N(CC)C2=O)cc1 1772739939 WQEOIIPCQYXUJY-VASVRFFCSA-N 435.574 5.833 30 10 IKEE CCCCCOc1ccc(C=NNc2nnc3c4ccccc4n(CCC)c3n2)cc1OC 1772765149 VAOPSLLNIKXKBQ-UHFFFAOYSA-N 446.555 5.413 30 10 IKEE Fc1cccc(-n2cc(/C=N\NC(=S)Nc3ccc(Cl)cc3)c(-c3ccccc3)n2)c1 1857808993 ORQOBTCWRYQYIB-WGARJPEWSA-N 449.942 5.652 30 10 IKEE C=CCN(CC=C)c1cc(-c2cc3cnccc3c(NCCc3ccc(F)cc3)n2)ccn1 1857836808 BJMRFGMOFHMFOH-UHFFFAOYSA-N 439.538 5.664 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 1861337100 AUMOLBCOPHNINM-HXUWFJFHSA-N 437.422 5.311 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1cccc2ccccc12)c1ccc(Cl)cc1Cl 1862382233 HGUPOIFSIZKUIZ-NRFANRHFSA-N 438.310 5.887 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1cccc([N+](=O)[O-])c1 1862384644 XBKDVIKHYFQQAW-GOSISDBHSA-N 449.290 5.136 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc(OCC)c1 1862434248 VEVWDLQMAPIUQR-JOCHJYFZSA-N 441.955 5.897 30 10 IKEE CCOc1cc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCCC2)ccc1O 1862494628 DCRAZEWAFYLYDN-DEOSSOPVSA-N 449.547 5.319 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2cccc3ccccc23)ccc1F 1862504707 ALDKAAKRJJLGPS-XMMPIXPASA-N 447.506 5.028 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccccc2C)ccc1F 1862507967 VWBIHRFZQJWTGT-UUOWRZLLSA-N 429.491 5.782 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CC(C)C)cc1 1862510131 XIAKTUXTYNOYRN-QHCPKHFHSA-N 439.527 5.547 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 1862532796 GFRZVBBPNKGYFK-YTJPUZGESA-N 448.519 5.314 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2cccc(Cl)c2)cc1 1862535768 KGFCIEGSTXJSDE-JOCHJYFZSA-N 441.955 5.296 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1862540493 OUIZSQGWGHQLLL-ZUOKHONESA-N 442.899 5.187 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCCc2ccccc2)[C@H]1c1ccc(F)cc1)c1cccc(O)c1 1862591454 ZLYIDKKRKYMGBA-DEOSSOPVSA-N 445.490 5.133 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccc(C)c1 1862659681 CEMPHXMJDHOSAI-AOYPEHQESA-N 447.619 7.056 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2cccc(F)c2)cc1 1862663946 YTJDAETVUVMUQJ-XMMPIXPASA-N 429.491 5.728 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 1862665550 JQNMCLGKRGFLMW-HSZRJFAPSA-N 448.519 5.629 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 1862690071 HBHDJJIBMFVGDJ-HXUWFJFHSA-N 447.453 5.338 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1 1862893894 WBKAGSDDDLNVIW-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE N#Cc1cccc(NC2=C(c3ccc(F)cc3F)C(=O)N(C3CCCCCCC3)C2=O)c1 1863316355 QLPRPRCWOIDNNU-UHFFFAOYSA-N 435.474 5.141 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C)c2C)=C(c2ccccc2Cl)C1=O 1863440035 PFADMPMQXASHTJ-UHFFFAOYSA-N 438.999 6.509 30 10 IKEE N#Cc1c(NC(=O)c2c[nH]c3ccc(Cc4ccccc4)cc3c2=O)sc2c1CCCC2 1866465242 FVPWPNUNDVHCHO-UHFFFAOYSA-N 439.540 5.183 30 10 IKEE C=CCN(CC=C)c1cc(N2CCN(c3cccc(C)c3)CC2)nc(-c2ccccc2C)n1 1867961313 XJQSRPITOZZPFI-UHFFFAOYSA-N 439.607 5.265 30 10 IKEE C=CCN(CC=C)c1cc(N2C[C@@H](c3ccccc3)Cc3ccccc32)nc(C(C)(C)C)n1 1869188177 NRJOIKSHNZSXLT-DEOSSOPVSA-N 438.619 6.431 30 10 IKEE CC(C)(C)c1ccc(-n2nnc(C#N)c2NC(=O)/C(=C\c2ccccc2)c2ccccc2)cc1 1870142288 KLUDQWBXKQNNFO-MOHJPFBDSA-N 447.542 5.616 30 10 IKEE CCOCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSc1ccc(C)cc1 1870233631 ZJNNHTBNXKAMEZ-UHFFFAOYSA-N 448.588 5.326 30 10 IKEE CCCCCCCCn1cc(OCCCCCCC)c(=O)cc1CN1CCC[C@H](C)C1 1870412828 JXAXEQCZGQBZGI-DEOSSOPVSA-N 432.693 6.790 30 10 IKEE C=CCn1cc(OCCCOc2ccc(CC)cc2)c(=O)cc1CNc1ccccc1CC 1870880963 JRBYGHPIUPJKOB-UHFFFAOYSA-N 446.591 5.619 30 10 IKEE C=CCn1cc(OCC2CCCCC2)c(=O)cc1CNc1ccc(Br)c(C)c1 1870912829 ABLXOHPDTCOLGK-UHFFFAOYSA-N 445.401 5.676 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1c(F)cccc1Cl)C3=O)CN([C@H]1CCCC[C@H]1C)CO2 1871355953 OLVGWSOABWHPCH-CFXJTAFDSA-N 441.930 6.134 30 10 IKEE Cc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1[N+](=O)[O-] 1871374779 CPESPYLIWYISLE-FBHDLOMBSA-N 433.391 5.186 30 10 IKEE CC(C)COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)c1 1871379083 JXJYSRXJQUQWGR-CFRMEGHHSA-N 448.902 6.210 30 10 IKEE CCCC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccs2)C3=O)cc1 1871391390 ZLKUJCMACBEOHS-STZFKDTASA-N 448.496 5.597 30 10 IKEE COC(=O)c1ccc(/C=C2\Oc3cc(OCCCOc4ccccc4)cc(C)c3C2=O)cc1 1871398676 YBJLQZZMVSWMCB-JLPGSUDCSA-N 444.483 5.246 30 10 IKEE Cc1cc(OCCCOc2ccc(Cl)cc2)cc2c1C(=O)/C(=C/C=C/c1ccccc1)O2 1871405727 OFQHXVYIJREBCI-RFPXDXMKSA-N 446.930 6.669 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1ccc2c(c1C)O/C(=C\c1ccccc1F)C2=O 1871429049 GJAJBRNWFDOBIQ-RGNNIMSVSA-N 440.511 6.031 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C)c(C)c4)cc(C)c3C2=O)cc1 1871459789 DEPYBVXERHBRAI-QFEZKATASA-N 441.527 5.808 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(Cl)cc1)[C@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1871889814 FKBYXRWNCIFUEB-OPAMFIHVSA-N 449.016 5.187 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(-c2ccccc2C)cc1)c1ccccc1)S(=O)(=O)CC 1872216114 SYKCUBSNMVLKSN-RUZDIDTESA-N 448.588 5.180 30 10 IKEE Cc1ccc(N2CC(=O)C(c3nc(-c4ccccc4)c(-c4ccccc4)s3)=C2N)c(O)c1 1872726406 VCBRDNGFLYMRTE-UHFFFAOYSA-N 439.540 5.208 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3cc(Cl)ccc3Cl)n2)cc1OC 1872761263 JLUUDYYGNGUSKF-HNNXBMFYSA-N 447.343 5.553 30 10 IKEE CCCCC1CCC(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1 1872762599 RLKRGBLDPDMIDQ-JTTJXQCZSA-N 435.420 7.290 30 10 IKEE CCOC(=O)Oc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3Cl)cs2)cc1 1872764147 DURGEVVOSQATPD-MRXNPFEDSA-N 426.881 5.489 30 10 IKEE CCCCCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3Cl)cs2)cc1 1872764161 FHANNTSFSHVDCX-HXUWFJFHSA-N 438.980 6.913 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)[C@@H](C#N)c1nc(-c2cccc(Cl)c2)cs1 1872767090 SLZKWFNQRDLKNC-GFCCVEGCSA-N 437.735 6.269 30 10 IKEE COc1ccc(C)cc1-c1csc([C@H](C#N)C(=O)[C@H](C)Oc2ccccc2C(C)C)n1 1872771145 NDOVEXFDYNQGFZ-FXAWDEMLSA-N 434.561 5.894 30 10 IKEE Cc1ccc(C)c(-c2csc([C@H](C#N)C(=O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)c1 1872773172 XUFLZYNFBVZTAX-SYYKKAFVSA-N 443.572 5.213 30 10 IKEE C[C@@H](Oc1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1nc(-c2cccc3ccccc23)cs1 1872775718 YHACMHRGSWQQSE-QVKFZJNVSA-N 432.932 6.260 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@@H](C#N)C(=O)Cc2cccc3ccccc23)n1 1872780714 LLUANHDHWBFPIG-QFIPXVFZSA-N 426.541 6.008 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCCCC)=C(c2ccc(-n3cccc3)cc2)C1=O 1873035419 BADNYURIEVEXIO-UHFFFAOYSA-N 449.639 6.088 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@@H](C)c2ccccc2)=C(c2cccnc2)C1=O 1873079923 GIOMWOXOIHIBHV-NRFANRHFSA-N 433.596 5.653 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCCC)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873085109 ACSPXHMTLUMCLX-UHFFFAOYSA-N 446.635 6.574 30 10 IKEE COc1cccc(/C=N/Nc2oc(-c3cccs3)nc2C#N)c1OCc1ccc(F)cc1 1873461930 FLENORMDPUAETA-LGJNPRDNSA-N 448.479 5.447 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1cccc(Cl)c1 1874213718 BOVBFQJOBZBWRI-BUVRLJJBSA-N 447.391 5.757 30 10 IKEE CCCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccc(OC)cc1 1874218205 ZZSUUPLPGSVHGW-ZMOGYAJESA-N 444.988 5.520 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCCC)n1/N=C/c1cccc(Cl)c1 1874229179 WUMVOVOCLMKEJE-BUVRLJJBSA-N 442.972 5.460 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1ccc(F)cc1F 1874320532 WMMNIUGMAKIXCY-OPEKNORGSA-N 428.508 5.303 30 10 IKEE Cc1cccc(OCc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccccn2)c1C 1874321684 FANFXZHEUGXNJP-MZJWZYIUSA-N 447.539 5.183 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(COc2cccc(C)c2C)nnc1SCCC 1874324666 RFHIGQSQDWMVIJ-PCLIKHOPSA-N 436.581 5.423 30 10 IKEE C=CCSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1c(Cl)cccc1Cl 1874328237 DJONHKXHDLRFLA-WYMPLXKRSA-N 447.391 5.941 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2C(=O)O)cc1 1874389332 NFHDPCHXQMTWEF-WGOQTCKBSA-N 442.544 5.050 30 10 IKEE CSc1nnc(Cc2cccs2)n1/N=C/c1ccc(OCc2ccc(C)cc2)cc1 1874410943 DGBUCZCLEAPBEA-BUVRLJJBSA-N 434.590 5.422 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccccc3F)nnc2-c2ccccc2)c1OC 1874428426 ILYOUKSVWPZYOQ-CVKSISIWSA-N 448.523 5.276 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2[C@@H]2CCCO2)cc1 1874449443 BXKPBSOLSFOYDT-OGBFJMLUSA-N 447.391 5.919 30 10 IKEE Fc1ccccc1/C=N/n1c(SCc2c(F)cccc2Cl)nnc1[C@@H]1CCCO1 1874451995 YHHJOWPDLHTWEI-DAFNMPDCSA-N 434.899 5.236 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2ccc(F)cc2)nnc1C1CCCC1 1874452614 FFROMXUSDQDGJS-WGOQTCKBSA-N 438.572 6.038 30 10 IKEE O=[N+]([O-])c1ccccc1/C=N/n1c(SCc2ccccc2Cl)nnc1C(F)(F)F 1874461641 YFOOATMZFMWLQI-LSFURLLWSA-N 441.822 5.033 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3cccc(F)c3)nnc2-c2ccco2)c1 1874465873 FPAPYIYIVCOAIR-MFKUBSTISA-N 436.512 5.641 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874526101 QFFRVCVXXCFGBO-UFFVCSGVSA-N 436.324 5.230 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(F)cc2F)c1OCC(=O)OCC(C)C 1874576305 HEZHIWXOPQUTBX-QPJJXVBHSA-N 438.854 5.101 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OC)c1OCC(=O)Nc1cccc(C)c1 1874580919 MGPPDJSMWVSOJL-OUKQBFOZSA-N 445.515 5.234 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2cccc(C)c2C)cc1Cl 1874590725 HXVOTZTVDGZJFX-ACCUITESSA-N 449.934 5.879 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OCc3ccc(C(=O)OCC)o3)c2)cc1 1874593681 WKQOACDBNFTIBF-FOWTUZBSSA-N 432.516 6.274 30 10 IKEE C=C(C)COc1c(Br)cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc1OC 1874606739 DODCWJHQDWWOBL-SOFGYWHQSA-N 431.326 5.626 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)cc(Cl)c1OCc1ccccc1C 1874611141 CMUVFCWRXNNNJD-BUHFOSPRSA-N 436.935 6.531 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1 1874622211 RRQAIBVVCXHEPS-NTUHNPAUSA-N 439.382 7.766 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc(Br)c1OC 1874627579 VIKORDRQPGDUQR-CMDGGOBGSA-N 447.369 6.193 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OCc1ccccc1F 1874630667 NRSYRNMNNFXTRG-ZRDIBKRKSA-N 434.507 6.325 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2OC)ccc1OCc1ccc(F)cc1 1874632534 IEPWMEIKMDEIOH-NTUHNPAUSA-N 436.479 5.717 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3c(F)cccc3Cl)cc2)cc1Cl 1874636987 CISVFIYPRWDSMR-YRNVUSSQSA-N 431.290 6.616 30 10 IKEE CCCCCCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H](C)C1 1874647533 DEVNTDTWUMNLLO-GBXCKJPGSA-N 425.617 5.204 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2)cc1OC(=O)[C@H]1C[C@H]1c1ccccc1Cl 1874700434 SIERKQKETRZVFT-SLQGVETNSA-N 432.903 5.954 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1OC(=O)c1ccccc1F 1874710970 NYBAQUYFCCMGII-ZRDIBKRKSA-N 432.491 6.183 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OC(=O)CCCSC 1875096156 ZMZBCZFWBZEQSP-GXDHUFHOSA-N 434.557 6.183 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC3CCCCC3)c(Cl)c2)cc1OC 1875098397 GRLSQGGBQYDDTP-DHZHZOJOSA-N 442.939 6.129 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3cccc(F)c3)c(OC)c2)cc1 1875103602 HHERGXUJUHIUJF-FMIVXFBMSA-N 438.882 6.165 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccc(F)cc1 1875106045 ZEMUDJUJKACWSY-WTDSWWLTSA-N 445.273 6.256 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc([N+](=O)[O-])cc1 1875116762 RBBUQRLMMQFCSB-KGVSQERTSA-N 442.254 6.017 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1)c1ccc(-n2cccc2)cc1 1875120564 YNTDSEZDKZXWBF-LHHJGKSTSA-N 429.422 5.871 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)CSc1ccccc1 1875143704 MTIJAGZZFTYSCX-XYOKQWHBSA-N 436.504 5.737 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 1875148834 WFLBLWSUYCGKGQ-MHWRWJLKSA-N 437.536 6.664 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(F)c3)cc2OC)c1 1875163353 HGLKRSNLZWDDRF-YRNVUSSQSA-N 438.426 5.487 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1 1875168179 WHHHAWWKHQRSOK-FOWTUZBSSA-N 444.527 5.755 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)cc2)cc1C 1875175721 CJAMNRQGWXQYPP-TYXCHYJQSA-N 430.931 6.562 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)[C@@H](C)c3cccc4ccccc34)cc21 1891069346 UYHAOLPVJKJZEL-SFHVURJKSA-N 428.532 5.520 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C1(NC(=O)OC(C)(C)C)CC(C(F)F)C1 1922107304 KVDHUFCLYTZUOM-VIHQBZHPSA-N 438.559 5.066 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@H](NC(=O)OC(C)(C)C)C1CCCCC1)NCC 1922119351 NIBOJDMIRCXBQR-RPWUZVMVSA-N 430.633 5.601 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C 1922121593 YPTFHQASQLBANC-SJROBZAFSA-N 430.633 5.409 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)CC12CC2 1949366184 HPMNXSMZASJNOR-HSZRJFAPSA-N 447.601 5.311 30 10 IKEE C=C(COCc1ccccc1)[C@H](NC)[C@H]1C[C@H](C(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1950363655 CSARNKHIZODWEK-VABKMULXSA-N 430.633 5.267 30 10 IKEE CCCCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C(=O)O)C1CC1 1979596528 UFBCMAASQPMPKZ-CLJLJLNGSA-N 449.591 6.365 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)C[C@@H](C)C2)cc1 2041561334 ZPLJDQGXCZXYMQ-UQBPGWFLSA-N 443.588 5.666 30 10 IKEE CC(C)[C@@H]1CC=C(C(=O)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)CC1 2061189534 OLMRXYDEWZSIDG-AJTFRIOCSA-N 441.612 5.782 30 10 IKEE Cc1ccc(F)c(-c2c(C3CCCC3)nn3c(Cl)c(C#N)cnc23)c1Br 2081190562 MVICFGFBQNVMTP-UHFFFAOYSA-N 433.712 5.789 30 10 IKEE Cc1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)sc1Br 2082340140 VNDFNOHNGRPAEN-CQSZACIVSA-N 425.323 5.965 30 10 IKEE Cc1cc(F)c([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)c(Br)c1 2116785777 BGTSHAZMVKYDPC-QGZVFWFLSA-N 425.342 6.031 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(Cl)ccc(Br)c1F 2122139698 LFTJWRWHEDYLAZ-PBHICJAKSA-N 447.776 5.199 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](Cc2cc(Cl)cc(Br)c2)NC)C1 2126687076 MCRCEZWPISPKCE-KRWDZBQOSA-N 443.813 5.094 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@](C)(C#N)C1CCC(F)(F)CC1 2158478370 NVRLJTJRLRYAKF-LJQANCHMSA-N 443.332 6.298 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc2c1N(Cc1ccc(Br)cc1C#N)CC2 2174568144 MXOVLRWPISJQSZ-UHFFFAOYSA-N 428.330 5.230 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CN(c2cc(Br)cc(C#N)c2)C2(CCCCC2)C1 2174807529 CUJCLERLWXRQSQ-QGZVFWFLSA-N 434.378 5.127 30 10 IKEE CCCN(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1ccc(Br)cc1C#N 2174813643 YOISYLMZQKUNCW-SFHVURJKSA-N 436.394 5.327 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)Nc2ccc(F)cc2C#N)c1 2181046303 PZQHBHDXCLJCEN-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE CC(C)(C)OC(=O)Nc1c(F)cccc1C(=O)Nc1cc(Br)ccc1C#N 2181142091 SHLQULURLDHPPN-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE CC(C)(C)OC(=O)N1CCCC(C)(C)[C@H]1CNc1ccc(C#N)c(Br)c1F 2184312601 HPAXYNLTUSVIJH-OAHLLOKOSA-N 440.357 5.297 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCC)c2sc(C)c(Br)c2C)C1 2226139195 PJQMEMJJNJDSFX-KRWDZBQOSA-N 443.451 5.639 30 10 IKEE CCCCCCCC[C@@H](CO)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2227112552 XWUBHBNJKFGNDR-IBGZPJMESA-N 428.411 6.302 30 10 IKEE C=CCCCCC[C@H](O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229109499 KGBMDBNFJSGZJQ-MOPGFXCFSA-N 426.395 5.382 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Cl)c(Cl)c(Cl)c1 2232513970 SLPWTFFLNKANHV-SJLPKXTDSA-N 433.807 5.994 30 10 IKEE CC(C)(C)CN(Cc1ccccc1)c1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2s1 2264342003 XDZLTBXTKLVLLD-UHFFFAOYSA-N 436.430 5.648 30 10 IKEE C=CCCC1([C@@H](N)c2c(Cl)ccc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2266310655 RHIUAHQXGZMENV-INIZCTEOSA-N 447.776 5.445 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(F)c(C(=O)C#Cc2ccccc2Br)cc1F 2283396384 XOCNPLYSSGEWNF-UHFFFAOYSA-N 436.252 5.309 30 10 IKEE CCCC[C@H](NC(=O)OC(C)(C)C)[C@H](C#Cc1cccc(Br)c1)NCCC 2296222578 SXFFNFDVXVGLAI-PMACEKPBSA-N 437.422 5.252 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(OC(=O)c4ccccc4C)c3C)C2=O)c2ccccc21 2296606604 ZGINXNMAINJUFH-UHFFFAOYSA-N 437.495 6.113 30 10 IKEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 2296944970 YYEFINMTJYEYEN-IBGZPJMESA-N 443.286 5.225 30 10 IKEE CCCCCCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)C(=Cc3cnn(C)c3)C[C@@H]12 2297110563 WVXXEBLHRGPWQV-DIBLIPFTSA-N 446.635 6.498 30 10 IKEE C#CCOc1ccc(C=C2C(=O)N(c3ccc(Cl)cc3)N=C2C(F)(F)F)cc1OCC 2297354668 HJULPJCFRCYCER-UHFFFAOYSA-N 448.828 5.099 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C 2299161485 LJOUBSRLCIYBJI-RTBURBONSA-N 429.561 5.274 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1ccc(NC(=O)OC(C)(C)C)cc1F 2299434447 CEZGZAHOENPEOP-HSZRJFAPSA-N 428.548 5.986 30 10 IKEE O=C1C(=Cc2ccco2)SC(=Nc2nc(-c3ccccc3)cs2)N1c1ccccc1 2314543553 HCKKKOBPZTWPPH-UHFFFAOYSA-N 429.526 6.212 30 10 IKEE CC(C)=C(CN(C)[C@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]12)B1OC(C)(C)C(C)(C)O1 2317993059 VYWUTQDPCVYATC-CDNNERCOSA-N 425.422 5.270 30 10 IKEE COc1ccc(C=NNc2ccc(Cl)c(Cl)c2)cc1OCc1cccc(Cl)c1 2321720132 UONJQJSGKYNUSY-UHFFFAOYSA-N 435.738 6.680 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(N(C)C)cc1)O3)CN(CCc1ccccc1)CO2 2321937359 HKXSPSFZGJETKC-UHFFFAOYSA-N 440.543 5.072 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3c(ccc4c3CN(Cc3ccccn3)CO4)C2=O)cc1 2321968319 MMGDYKFRWOJXQM-UHFFFAOYSA-N 426.516 5.347 30 10 IKEE C[C@@H]1CCCC[C@H]1N1COc2ccc3c(c2C1)OC(=Cc1c(Cl)cccc1Cl)C3=O 2322145983 INXISPLBRNCVQG-JLTOFOAXSA-N 444.358 6.340 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc3c2CN(C24CC5CC(CC(C5)C2)C4)CO3)C1=O 2322238545 WEJMZVUOHSEWNC-UHFFFAOYSA-N 443.543 5.432 30 10 IKEE Cc1c2c(cc3c1OC(=CC=Cc1ccccc1)C3=O)CN(Cc1ccc(F)cc1)CO2 2322347583 URDOEZMPAWZNIY-UHFFFAOYSA-N 427.475 5.659 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(F)cc2F)c1OCc1ccc(C)cc1 2322502003 PDXSPJDHCZAFTB-UHFFFAOYSA-N 428.862 6.410 30 10 IKEE CCOc1ccc(C(=O)C=Cc2c(OCc3cccc(F)c3)ccc3ccccc23)cc1 2322549858 KFPHZLDCTAADGU-UHFFFAOYSA-N 426.487 6.853 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccccc1C=CC(=O)c1ccc(C(C)C)cc1 2322724945 BLJVOIWZOXKMRN-UHFFFAOYSA-N 427.544 6.340 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2cc(C)cc(C)c2)c(C)c1C 2322815588 USCSKIXYIYUJRX-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccccc1OCCc1ccccc1 2322828311 SZAKXEKMJVWNTB-UHFFFAOYSA-N 427.327 6.520 30 10 IKEE Cc1ccc(C(=O)C=Cc2c(OCC(=O)Nc3ccccc3C)ccc3ccccc23)cc1C 2322890064 VLBOMELIXIKAPL-UHFFFAOYSA-N 449.550 6.679 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccc(F)cc2)c2ccccc12 2323019029 KJOYKLUROAHLCR-UHFFFAOYSA-N 446.905 7.116 30 10 IKEE C=C(C)COc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1Br 2323352142 VKWTWXICFFKJSE-UHFFFAOYSA-N 433.345 6.967 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 2323371189 LMQBSQYMOKEBAE-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)C=Cc1ccccc1Cl 2323375216 FIATYLSQEXVPRP-QHCPKHFHSA-N 435.052 6.285 30 10 IKEE Cc1cc(OC(=O)c2cccc3ccccc23)cc2c1C(=O)C(=Cc1ccccc1Cl)O2 2323480224 ZGMFRSKNGIDPOB-UHFFFAOYSA-N 440.882 6.637 30 10 IKEE CC(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2323502257 ZMBQRTBDFWEBHC-UHFFFAOYSA-N 444.914 6.698 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)ccc1OCC(=O)NC1CCCCC1 2323620206 JDTJICQEDRTYGZ-UHFFFAOYSA-N 441.955 5.463 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1OCc1ccccc1F 2323907842 FQILHTHIULDJRM-UHFFFAOYSA-N 435.451 5.916 30 10 IKEE COc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 2324439227 GLYSLGJQINUXQP-GOSISDBHSA-N 439.334 5.471 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1 2324571043 QEDSBZFFLRYKSQ-UHFFFAOYSA-N 441.571 6.515 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(F)cc3)n2)cc1C(C)C 2324693544 JAPHWXUOJXWKSQ-OAQYLSRUSA-N 434.536 6.279 30 10 IKEE Cc1cc(C)c(COc2ccc3c(c2C)OC(=Cc2ccc(N(C)C)cc2)C3=O)cc1C 2324765395 UAWRXOVCOCYWKV-UHFFFAOYSA-N 427.544 6.181 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccc(Cl)cc4C)c3C)C2=O)o1 2325716675 BTBHXQQNXFJWTE-UHFFFAOYSA-N 437.879 5.492 30 10 IKEE O=C(Cc1ccccc1Cl)Oc1cccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)c1 2325737109 PBJJREDUJUVQLN-UHFFFAOYSA-N 445.729 6.691 30 10 IKEE COc1ccc(OCCCC(=O)Oc2cccc(C=CC(=O)c3ccc(C)cc3)c2)cc1 2325738447 GQKJGZPFBRRBKX-UHFFFAOYSA-N 430.500 5.664 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OC(=O)c1ccc(C(C)(C)C)cc1 2325741381 KFFKWKISXFMHRV-UHFFFAOYSA-N 446.518 6.556 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OC(=O)c2ccc(-n3cccc3)cc2)c1 2325743409 KCZVXHJSMFPSGZ-UHFFFAOYSA-N 437.495 5.910 30 10 IKEE CCc1ccc(C(=O)Oc2cc(C=CC(=O)c3ccc4c(c3)OCO4)ccc2OC)cc1 2325747045 PBMFILHKWVPODW-UHFFFAOYSA-N 430.456 5.102 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2cccc(OC(=O)C34CC5CC(CC(C5)C3)C4)c2)cc1 2325750743 GTDKCLOWWUWLLX-UHFFFAOYSA-N 428.572 6.828 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(Br)cc3)c2)cc1C 2325760578 QMASMBHXDUZUNZ-UHFFFAOYSA-N 435.317 6.181 30 10 IKEE COc1ccc(C=Nn2c(CCCOc3ccc4ccccc4c3)nnc2SC)cc1 2325882576 WMMXAGRDEXMTBU-UHFFFAOYSA-N 432.549 5.056 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1ccncc1 2325885267 KHMHNYOGVVYPQA-UHFFFAOYSA-N 443.576 5.388 30 10 IKEE CCCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1c[nH]c2ccccc12 2326331951 WJWDNGFOFUURMQ-UHFFFAOYSA-N 445.636 6.574 30 10 IKEE CCCOc1ccc(C=Nn2c(CC)nnc2SCc2ccccc2Cl)cc1OC 2326546403 OZTZSCUTSAMXKB-UHFFFAOYSA-N 444.988 5.466 30 10 IKEE CCSc1nnc(CCCOc2ccccc2C)n1N=Cc1cn(C)c2ccccc12 2327082364 FIAAAEBSPREUKS-UHFFFAOYSA-N 433.581 5.084 30 10 IKEE C=CCSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1ccc(C(C)(C)C)cc1 2328796516 OCCSFGXIITWEBQ-UHFFFAOYSA-N 434.609 5.932 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccc(C)c(C)c3)n2N=Cc2cccnc2)c1 2328933337 JTFYRYIPNXOBJR-UHFFFAOYSA-N 441.604 5.558 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3)n2N=Cc2sccc2C)cc1C 2328945621 IQJMGGCRCJEGDK-UHFFFAOYSA-N 446.645 6.225 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2ccc(O)cc2)cc1 2329249088 ZNMZVTLGADAIAF-UHFFFAOYSA-N 444.560 5.066 30 10 IKEE Cn1cc(C=Nn2c(CC(C)(C)C)nnc2SCCc2ccccc2)c2ccccc21 2330849537 IGHBGXWAAGLPAM-UHFFFAOYSA-N 431.609 5.575 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(C)c2)cc(OC)c1OC(=O)c1ccncc1 2330879237 FAPYFQAGZXKVHI-UHFFFAOYSA-N 443.499 5.251 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SCC)nnc2[C@H]2CCCO2)cc1OCC 2330944047 BDYVFPGDCRMSCA-LJQANCHMSA-N 432.590 5.092 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C(F)(F)F)c(Cl)c1)c1cccc(Br)c1 2330999118 AEOQUSYDUKHMHT-UHFFFAOYSA-N 433.607 5.466 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2OC)cc(OC)c1OC(=O)c1ccccc1C 2331079871 SFDIFVDQXGJHMY-UHFFFAOYSA-N 442.511 5.856 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CCOC)cc2)cc1OCCC 2331109239 UYORGQVCCFXZDE-UHFFFAOYSA-N 426.509 5.102 30 10 IKEE Cc1cccc(CSc2nnc(C(F)(F)F)n2N=Cc2cc(Cl)ccc2O)c1 2331122752 FDZBMTKHIOPAAI-UHFFFAOYSA-N 426.851 5.139 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1c(F)cccc1Cl 2331136359 LSWIEFKGWPTXNT-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccco2)n1N=Cc1c(F)cccc1Cl 2331174235 UJCJCUNIMUUPDA-UHFFFAOYSA-N 426.904 5.814 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OCC)cc2)cc1Br 2331198637 DBPKETKRMNZBGF-UHFFFAOYSA-N 431.326 5.840 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)Cc1ccc(F)c(C)c1 2331232581 IJIKEVLCBQXUJO-UHFFFAOYSA-N 432.491 5.804 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1 2331294192 AFWCWOYCWMJCNQ-UHFFFAOYSA-N 446.499 5.608 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccccc3[N+](=O)[O-])c([N+](=O)[O-])c2)c1 2331322901 FZGUFWSSSWJSQU-UHFFFAOYSA-N 446.415 5.235 30 10 IKEE CCOc1c(C=Nn2c(SCc3ccc(C)cc3)nnc2C(C)(C)C)cccc1OC 2331360180 LVXNXHCZYQWWJR-UHFFFAOYSA-N 438.597 5.466 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(F)c3)cc2)cc1 2331451360 VMWXFNQVAYCGCD-UHFFFAOYSA-N 432.491 5.831 30 10 IKEE CCSc1nnc(C2CCC2)n1N=Cc1ccc(OCCc2ccccc2)c(OC)c1 2331509950 WWUFQFLMTZSYIE-UHFFFAOYSA-N 436.581 5.170 30 10 IKEE Cn1c(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2Cl)cc2ccccc21 2331523184 FZZIKHNCYMNGCX-UHFFFAOYSA-N 433.866 6.086 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)c2cccc(F)c2)cc1 2331545651 KJHUJCTXRBMTCB-UHFFFAOYSA-N 432.491 6.247 30 10 IKEE Cc1cccc(C)c1NC(=O)CSc1nnc(C(C)C)n1N=Cc1ccc(C(C)C)cc1 2331696054 IWODSSSHLPLUSQ-UHFFFAOYSA-N 449.624 5.755 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 2331709443 VHUCIEOHCTXGSD-UHFFFAOYSA-N 445.471 5.726 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(C)c3)c(Cl)c2)cc1Cl 2331818868 QZSOHTMWYBZTEN-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE C[C@H](CCCN(C)C(=O)OC(C)(C)C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339581821 NAYHUEHNQUFZSX-LGHUBQEGSA-N 446.397 5.141 30 10 IKEE CC1(C)OB(/C=C/c2ccc(Oc3ccc(I)cc3)nc2)OC1(C)C 2339590434 MZJQRGVKCVPOIX-VAWYXSNFSA-N 449.097 5.123 30 10 IKEE N#Cc1ccc(Cl)cc1OCc1cc(I)ccc1Br 2341781263 XRZKNIXNMPXVIE-UHFFFAOYSA-N 448.485 5.158 30 10 IKEE C=CC[C@](C)(CC)[C@H](Cc1ccc(I)c(Br)c1)NC 2349778250 JPKULEXPWWGJOG-HOTGVXAUSA-N 436.175 5.177 30 10 IKEE C=CCC(CC=C)[C@H](NCCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2364040323 GKBLHQVJSTZHOX-FQEVSTJZSA-N 437.422 6.605 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O)c1ccc(Cl)cc1 2426246 KBGBVQIBMNJHEW-JJFYIABZSA-N 435.819 5.126 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(C(C)C)cc2)cc1 5926306 WSTDWZQDLUVUMB-QHCPKHFHSA-N 431.488 5.585 30 10 IKEE Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(Cl)ccc2O)cc1 21220619 QDVSBPSYIXDVCY-QLXKLKPCSA-N 430.935 6.334 30 10 IKEE COc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cccc(OC)c1O 21231223 SAEDLFAMOZUGGP-DXPJPUQTSA-N 442.515 5.389 30 10 IKEE COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)c(OC)c1 21252841 QGDBDPFHIKYGGX-HMILPKGGSA-N 440.543 5.992 30 10 IKEE C=CCc1ccccc1OCCOc1ccccc1/C=C1/SC(=S)N(CC=C)C1=O 33441698 HZDFMFHDPFRAHV-OQKWZONESA-N 437.586 5.260 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C(=O)/C=C/c3ccc(Cl)cc3Cl)cc2)cc1 35520601 ZXACYFFYAGEZMW-NTUHNPAUSA-N 427.283 6.117 30 10 IKEE Cc1c(C(=O)[C@H](C)Oc2ccc(C(C)C)cc2)c(O)n([C@H](C)c2ccccc2)c(=O)c1C#N 38623327 ABSGIQRDSWKQSC-MOPGFXCFSA-N 444.531 5.117 30 10 IKEE COc1ccccc1/C=C1\Oc2c(ccc(OC(=O)c3cc4ccccc4o3)c2C)C1=O 41352434 HJKSKTRFEIBVSV-XKZIYDEJSA-N 426.424 5.585 30 10 IKEE COc1ccc2c(c1)c(/C=C1\Oc3cc(OCc4ccc(F)cc4)cc(C)c3C1=O)cn2C 41435652 SYBQGUHKZPXGSA-GATIEOLUSA-N 443.474 5.830 30 10 IKEE CCCC/C(C)=N/Nc1nc(SCC(=O)N(C2CCCCC2)C2CCCCC2)n[nH]1 59891404 PQELDXPLSHUWPB-JJIBRWJFSA-N 434.654 5.369 30 10 IKEE CCCCc1ccc(Nc2nc(SC)nc(-c3ccc(OC)c(OC)c3)c2C#N)cc1 62039748 VWLCNNFVTOJLCW-UHFFFAOYSA-N 434.565 5.841 30 10 IKEE C=C(C)COc1c(CNCCCCCCCCCCCCCCCC)cccc1OC 100125584 BCMGXCOOPFGZRM-UHFFFAOYSA-N 431.705 8.221 30 10 IKEE Cc1cc(/N=C/[C@H](C#N)c2ccc(/C(C#N)=N/c3ccc(N(C)C)cc3)cc2)cc(C)c1N=O 135882417 ICDYXACODOPILD-IRAHMCAHSA-N 448.530 6.421 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2cccc(F)c2)cc1 169921633 QPYLUQWMCITYDJ-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccccc2C)c1 169936997 DMFGXOVRZQMOCN-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2cccs2)c1 169985442 RHKLICBRVBEHNF-LJQANCHMSA-N 425.893 5.193 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@H]1c1ccncc1)c1ccc(Cl)cc1 170021117 CFHNANCBEDFMJZ-QHCPKHFHSA-N 440.886 5.671 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2c[nH]c3ccccc23)cc1 170073972 JIJDKAGCKJSUGS-XMMPIXPASA-N 440.474 5.652 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccccc2C)c1 170088549 YJDBEDWJXFNEKP-XMMPIXPASA-N 443.499 5.185 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(O)cc2)c1 170131216 XATJOXPPXZHHHK-QHCPKHFHSA-N 447.462 5.101 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(O)cc1)c1ccc2ccccc2c1 170131769 RNMBQWDGKJZZNV-XMMPIXPASA-N 439.442 5.467 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccc(C)c2)cc1C 170141102 VOGLKAPYBKNJOV-RUZDIDTESA-N 441.527 5.712 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2OC)[C@@H]1c1ccc(OCC)cc1 170214413 QOJKBISNXSOJKT-QHCPKHFHSA-N 437.536 5.171 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(OCC)c2)cc1 170218752 KOFNXQKFDPEOCA-QHCPKHFHSA-N 435.520 5.005 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccccc2)c1 170226439 GOQCFIXBFYIWTQ-HSZRJFAPSA-N 447.918 5.910 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1ccccc1 170229198 IUPBWIAAGCNZGV-JOCHJYFZSA-N 435.426 5.065 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(F)cc2)cc1C 170242451 QBRDCDGQNYJRHQ-HSZRJFAPSA-N 437.511 5.362 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@H]1c1ccc(F)cc1 170243171 NSILXGYIAMUBRX-HSZRJFAPSA-N 439.527 5.645 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(F)cc2)c1 170244056 HDRRHQNFBPDARX-QHCPKHFHSA-N 437.511 5.381 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(OCC(C)C)c2)=C(O)C(=O)N1Cc1ccco1 170273999 CLCYBAUOXXEEGI-XMMPIXPASA-N 445.515 5.401 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2C)ccc1OC(C)C 170274196 JBPZPGKXRUKXDP-DEOSSOPVSA-N 445.515 5.462 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccco1 170286463 QDHBSDHQXROZCK-LJQANCHMSA-N 444.270 5.378 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2Cc2ccc(F)cc2)o1 170311318 FYVNVLTWQZZSOW-DEOSSOPVSA-N 441.458 5.659 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1c1cccc(F)c1 170313590 WZHSVJYOHUXMFQ-QFIPXVFZSA-N 443.499 6.132 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2sccc2C)cc1C 170315000 GWDHWJWVKOQUKZ-QFIPXVFZSA-N 447.556 5.937 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@H]1c1sccc1C 170319427 OVILDUBRFSJAJJ-FQEVSTJZSA-N 427.566 5.532 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)[C@@H]1c1ccc(F)cc1)c1ccccc1 170377659 YSLLCJIQMVGYGZ-HXUWFJFHSA-N 441.380 5.627 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc3c(c2)OCO3)cc1 170378874 IQKDVQPFBPHDLR-JOCHJYFZSA-N 447.512 5.383 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2cc(Cl)ccc2O)[C@H]1c1ccc(C(C)(C)C)cc1 170470347 XBGVCFAARDBXQW-FQEVSTJZSA-N 441.955 5.858 30 10 IKEE CCCCCCCCCCc1ccc(-c2ccc(OCCCCC[C@@H](C)CC)cc2)cc1 204383904 FNLPUTXRCJATIC-MHZLTWQESA-N 436.724 10.022 30 10 IKEE O=[N+]([O-])c1ccc(COc2cccc(C=NNc3c(F)c(F)c(F)c(F)c3F)c2)cc1 254304836 BTSCXLVQNOJKAZ-UHFFFAOYSA-N 437.324 5.315 30 10 IKEE C=CCn1c(-c2ccc(F)cc2)csc1=Nc1ccc(-c2nnc3n2CCCCC3)cc1 254395417 KUYPYENQWNZOFJ-UHFFFAOYSA-N 445.567 5.759 30 10 IKEE Sc1nnc(-c2ccco2)n1N=Cc1ccc(COc2ccc(Cl)cc2Cl)o1 254733765 CKTDDALBOXHIIJ-UHFFFAOYSA-N 435.292 5.188 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccc(Cl)c2)c1OC 526489075 FCFPXKWAEOTZCG-JOCHJYFZSA-N 446.890 5.286 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccccc2OC)c1 526490721 XWQPMMZKVVGRAI-DEOSSOPVSA-N 426.472 5.023 30 10 IKEE CC(C)COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccc(F)c2)c1 526604319 HSHUBIPGLDZMFH-RUZDIDTESA-N 442.490 5.789 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1/N=C\c1cc(Cl)c(O)c(OCC)c1 526802598 IDPRQXCSAARTCR-MSXFZWOLSA-N 448.951 5.302 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1c[nH]c2ccccc12 526822454 ZQEYMVALQVNTJS-YUMHPJSZSA-N 425.561 6.040 30 10 IKEE C=CCN(CC=C)C(=O)c1cccc(NC(=O)N(Cc2ccccc2)c2ccccc2)c1 586657105 PRQWHLNNECJLBP-UHFFFAOYSA-N 425.532 5.740 30 10 IKEE N#Cc1ccc(Nc2cc(Br)cc(Br)c2)c(F)c1Br 690321978 OPZHTZWXDVVJAW-UHFFFAOYSA-N 448.915 5.728 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 698975864 AYPIZKHSDSSLMI-DVECYGJZSA-N 447.551 5.639 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 699659807 MPJLBYZDXXGKTG-CLOONOSVSA-N 443.588 5.666 30 10 IKEE Cn1ccnc1Sc1ccc(C=Nc2ccc3c(c2)oc2ccccc23)cc1[N+](=O)[O-] 1084408238 DUUCXYMPAYSPLO-UHFFFAOYSA-N 428.473 6.130 30 10 IKEE C=CCCCCCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CC[C@@H](C)C1 1760419231 LTTWLUWPMJQVBJ-RTBURBONSA-N 434.588 5.213 30 10 IKEE Cc1ccc(C[C@H]2SC(=Nc3ccc(C(=O)O)cc3)N(Cc3ccccc3)C2=O)cc1 1772728093 ODBRTYDCLLZUPE-JOCHJYFZSA-N 430.529 5.068 30 10 IKEE COc1ccc(CCn2c(O)c(N=Nc3cccc(Cl)c3C)c(C)c(C#N)c2=O)cc1 1772740751 FYYCIUGPRBCNRK-UHFFFAOYSA-N 436.899 5.363 30 10 IKEE CC(C)c1cccc2nc(-c3cccc(C(=O)Nc4sc5c(c4C#N)CCCC5)c3)oc12 1859742913 MANYCDQBXMAIJO-UHFFFAOYSA-N 441.556 6.682 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1 1862441229 CLRIPFZDOVSGLC-UNMCSNQZSA-N 425.956 6.277 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(CC)cc1 1862474603 PSZVBCXQGZSGOU-NOZRDPDXSA-N 433.592 6.495 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC)cc1OC 1862483732 GOMCIYFZXGBJFE-HSZRJFAPSA-N 437.536 5.171 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccc(Cl)cc2)cc1 1862488904 KREWMDQLVITSGO-DEOSSOPVSA-N 445.946 6.044 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@@H]2c2ccccc2F)c1 1862489604 DHJQMFOWIBNVLF-HSZRJFAPSA-N 449.909 5.874 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccc(C)cc2)cc1 1862507757 STXKGDUGPKIQGN-XMMPIXPASA-N 445.490 5.230 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc(OC)cc2)cc1 1862536222 UJISEKHFIVKFAG-BSDZUQITSA-N 433.548 5.415 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(C(C)C)cc1 1862560097 DSJABNISFOPOBK-VWLOTQADSA-N 448.607 6.331 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cccc(F)c1)c1ccc(Cl)c(Cl)c1 1862581426 HVVLKKQHAGDWDX-FQEVSTJZSA-N 448.321 6.044 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 1862667231 WNNMPZGXIRKDBE-VWLOTQADSA-N 445.603 6.628 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862670223 OOKWGFQSTLTWON-DFBJGRDBSA-N 449.591 6.366 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(O)cc1 1862673006 AMCDYLGRSCCJMM-DENIHFKCSA-N 425.500 5.469 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1Cl 1862682515 KFMGWZGIIDGLKZ-LJQANCHMSA-N 436.310 5.757 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2cccc(C)c2)cc1 1862687299 ITLATXQKEFBUQX-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc(F)c1 1862715927 UJACBDMJHHYOPB-LAMXGVLKSA-N 443.518 6.136 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc(Br)c1 1862718507 BQRLZKKLOVPEQE-HXUWFJFHSA-N 436.305 5.201 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(C)cc1 1862721443 FJEWVDQVULPNIB-VWLOTQADSA-N 441.527 5.277 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(OC(C)C)cc2)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863281340 BHXLFKNOCUTVLP-UHFFFAOYSA-N 431.319 5.159 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2cccc(Cl)c2)=C(c2ccccc2F)C1=O 1863648138 NURCDGKIFYOJCT-UHFFFAOYSA-N 442.962 5.709 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 1865994503 YCRTYJYIIOYYDJ-RUZDIDTESA-N 438.612 5.781 30 10 IKEE CCCc1nc(Nc2ccccc2C#N)cc(N2CCCc3ccc(N4CCCC4)cc32)n1 1868398943 UUJIWCYXBCVDPD-UHFFFAOYSA-N 438.579 5.729 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)n(C(C)(C)C)n1 1870000704 UORRHAQWBOJKEW-PKNBQFBNSA-N 434.371 5.170 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(Cl)cc2Cl)cn1CCCCC 1870346462 OIOREYYJKXFBEN-UHFFFAOYSA-N 449.422 6.098 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCC[C@H](C)C1 1870349170 CYBHOACXMAGWHR-QHCPKHFHSA-N 449.639 5.891 30 10 IKEE CCCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1C[C@@H](C)C[C@H](C)C1 1870350818 XTKQVQWXGZDCJY-VXKWHMMOSA-N 435.612 5.357 30 10 IKEE CCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CN(CCCC)CCCC 1870353534 PXIVQEABLQYBGS-UHFFFAOYSA-N 434.709 7.036 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(CC)cc2)cn1Cc1ccc(F)cc1 1870464469 LBKSCCCFESEERN-UHFFFAOYSA-N 446.566 5.351 30 10 IKEE CCCCCCCOc1cn(C[C@H]2CCCO2)c(CNc2ccc(OCC)cc2)cc1=O 1870833525 MEZZFFBDCXLCJN-XMMPIXPASA-N 442.600 5.387 30 10 IKEE CCCCCCCOc1cn(CCCN(C)C)c(CNc2ccc(C)c(Cl)c2)cc1=O 1870837408 DTGVHHDJKLXPMQ-UHFFFAOYSA-N 448.051 5.723 30 10 IKEE CCCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccccc1CC 1871254609 DUMPLPYHZWSIQC-UHFFFAOYSA-N 443.591 6.054 30 10 IKEE CC[C@H](C)N1COc2c(cc3c(c2C)O/C(=C\c2cc(Cl)cc4c2OCOC4)C3=O)C1 1871353450 RGTQRFAWFZDACT-QFUZRPNGSA-N 441.911 5.082 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc4c3CN(C35CC6CC(CC(C6)C3)C5)CO4)C2=O)cc1 1871353505 SLJNMWXFHHDBCQ-GATIEOLUSA-N 443.543 5.432 30 10 IKEE CC(=O)Nc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)c1 1871365403 VXUYCUJMIJSRSY-JJFYIABZSA-N 447.874 5.442 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2F)C3=O)c1 1871389418 VAQBFXKWNMZRJO-HMAPJEAMSA-N 446.430 5.285 30 10 IKEE Cc1cc(O)c(CN2CCC(Cc3ccccc3)CC2)c2c1C(=O)/C(=C/c1ccco1)O2 1871395224 LMHAWHMQNWHBMG-JLPGSUDCSA-N 429.516 5.365 30 10 IKEE C=CCOc1ccc2c(=O)c(-c3ccc(Br)cc3)c(C(F)(F)F)oc2c1 1871414597 ONUCFPUDQMRFGB-UHFFFAOYSA-N 425.200 5.806 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCc4nc(O)c5ccccc5n4)cc(C)c3C2=O)cc1 1871430415 JRWDNMZNBXWDMX-QRVIBDJDSA-N 438.483 5.401 30 10 IKEE Cc1oc2cc(OCc3ccccc3C#N)ccc2c(=O)c1-c1ccc2c(c1)OCCCO2 1871437088 IBXRIPMXSLWBSK-UHFFFAOYSA-N 439.467 5.380 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O)Nc1ccc(F)c(Cl)c1 1871441269 HSSIRBZOJOTASB-NKVSQWTQSA-N 441.817 5.252 30 10 IKEE CCCCCCCCN=c1nc(N(C)Cc2ccccc2)[nH]c(=Nc2cccc(C)c2C)[nH]1 1871591087 PYTOFQHXPUIJPR-UHFFFAOYSA-N 446.643 5.485 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1cccs1 1872014565 DYJIUGRJTKWDIP-HXUWFJFHSA-N 448.654 5.420 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccc(Cl)cc3)n2)cc1 1872768473 UBHCELLFBWGDEA-LIRRHRJNSA-N 426.925 5.506 30 10 IKEE CN(C)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1[N+](=O)[O-] 1872773640 TWLXZFBAYJZJKH-SFHVURJKSA-N 448.548 5.572 30 10 IKEE CC(C)c1ccccc1O[C@@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc(F)c(F)c2)cs1 1872779389 IRRCHRRQSWJBHU-WMLDXEAASA-N 426.488 5.855 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(OC)c(OC)c3)n2)cc1C 1872788383 YXELCDSDWJZSBX-ZLQZBKBYSA-N 448.544 5.342 30 10 IKEE CCCCCCCCNC(=O)c1cn(-c2cc(F)c(F)c(F)c2)c(=O)c2ccccc12 1873885961 BBWNHJVOBRJCKD-UHFFFAOYSA-N 430.470 5.498 30 10 IKEE CCCCCCCCCCNC(=O)c1c(C)n(C)c2cc(Br)c(OC)cc12 1873936657 MHDRYMOGTZZSOS-UHFFFAOYSA-N 437.422 6.128 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCC(=C)C)n1/N=C/c1ccccc1F 1874227137 QFNVSZMBVAGVBG-AFUMVMLFSA-N 438.528 5.111 30 10 IKEE C=CCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1cn(C)c2ccccc12 1874270536 WAHWBOYNFYANAZ-WPWMEQJKSA-N 437.572 5.674 30 10 IKEE COc1cccc(CCc2nnc(SCc3ccccc3C)n2/N=C/c2cccs2)c1 1874308235 MTMFAXBICURXFJ-PCLIKHOPSA-N 448.617 5.616 30 10 IKEE C(=N/n1c(CC2CCCCC2)nnc1SCCc1ccccc1)\c1c[nH]c2ccccc12 1874408065 FDEUYLRREAWOCR-TURZUDJPSA-N 443.620 6.099 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2ccccc2[N+](=O)[O-])c1 1874415744 GAMLSYHTWRNRIP-PCLIKHOPSA-N 443.532 5.260 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(F)cc2)n1/N=C/c1cccc2ccccc12 1874437384 YEOBBQHVPXLOPF-JVWAILMASA-N 432.568 6.334 30 10 IKEE Clc1ccc(CSc2nnc([C@H]3CCCO3)n2/N=C/c2ccccc2)cc1Cl 1874450957 OEYPDUCZLOEOII-BYWZACNXSA-N 433.364 5.611 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3cccc(C)c3)nnc2C2CCCC2)c1 1874454444 MEMXAROXISHJOF-YZSQISJMSA-N 434.609 6.207 30 10 IKEE Fc1cccc(CSc2nnc(-c3ccco3)n2/N=C/c2c(F)cccc2Cl)c1 1874466011 MULJRVPNQCTYOZ-BHGWPJFGSA-N 430.867 5.644 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1/N=C/c1ccc(OCC)c(OCC)c1 1874475942 AFIVYJOWDMDZHJ-KOEQRZSOSA-N 438.597 5.593 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccccc1C(=O)O 1874485185 IOIXKNWBOSKRBI-CVKSISIWSA-N 444.560 5.602 30 10 IKEE CCCSc1nnc(C2CCC2)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874496352 HSSHTOZNFMAINQ-MFKUBSTISA-N 441.000 6.162 30 10 IKEE Oc1ccc(Cl)cc1/C=N/n1c(SCc2cccc(Cl)c2)nnc1C1CCC1 1874497688 VPNUGEHLLZKLMV-FOKLQQMPSA-N 433.364 5.733 30 10 IKEE O=C(/C=C/c1c(OCc2cccc(F)c2)ccc2ccccc12)c1ccc2c(c1)OCCO2 1874581846 JCJBIIPYGNUMEW-ZHACJKMWSA-N 440.470 6.225 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccccc1OCC(=O)NCc1ccccc1 1874589663 XITSZDTWXCBJHN-OUKQBFOZSA-N 449.934 5.248 30 10 IKEE Cc1ccccc1COc1ccc(Cl)cc1/C=C/C(=O)c1cc(Cl)ccc1Cl 1874591308 DRGYHZKJJBVWKF-UXBLZVDNSA-N 431.746 7.430 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OCC(=O)Nc2ccccc2F)c1 1874601007 NXYRYEJDTSAKSM-PKNBQFBNSA-N 439.870 5.401 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1ccccc1Cl 1874608724 DIXIWKNNZFBWAV-YRNVUSSQSA-N 428.271 6.377 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2)c(Br)c1)c1ccc(F)c(F)c1 1874626257 UBIQSABAICUATQ-UXBLZVDNSA-N 429.260 6.202 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)COc3ccc(C)c(C)c3)c2)c1 1874694658 OHJIGYCUZDXIHS-FMIVXFBMSA-N 446.499 5.201 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)Oc1cccc(/C=C/C(=O)c2ccccc2)c1 1874700300 LFLVZXMISHCSLH-JLHYYAGUSA-N 427.283 6.117 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccc(C(F)(F)F)cc2)c1 1874704656 WLGUIRQFPVNOEY-KPKJPENVSA-N 440.417 6.138 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC(=O)c2cncc(C)c2)c1 1874709612 LGBQJLVVICYFTG-PKNBQFBNSA-N 429.516 5.811 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(OC(C)=O)cc3)c2)c(C)c1C 1874712320 SSXYXRXFQLRHEN-RIYZIHGNSA-N 444.483 5.353 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccco2)c(Br)c1)c1cccc([N+](=O)[O-])c1 1875088608 XHUKLKPSNPUTJY-SOFGYWHQSA-N 442.221 5.066 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3C)c([N+](=O)[O-])c2)cc1 1875100338 BFRBJFQNPHAKAT-XNTDXEJSSA-N 443.499 5.900 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(OC)c1OC(=O)c1sccc1C 1875114908 CMYIYYYDUQYMEL-KPKJPENVSA-N 448.540 5.918 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2OC)cc(OC)c1OC(=O)c1ccccc1 1875119776 MGXPPCKKMCNHDZ-FOCLMDBBSA-N 428.484 5.548 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)c1ccc(F)cc1 1875135635 AHTZVLWVBPZXPT-AWNIVKPZSA-N 438.882 6.302 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)CCCOc3c(C)cccc3C)cc2)c1 1875138191 PZVOJDDMHWYLSD-SAPNQHFASA-N 442.555 6.581 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(OCC)c(OC(=O)C(C)C)c([N+](=O)[O-])c2)cc1 1875138326 MDLIFMXNAGMXPN-KPKJPENVSA-N 441.480 5.240 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)C(F)(F)F)c(Br)c1 1875143188 NFXANNQZFKGTLV-GQCTYLIASA-N 443.215 5.130 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2ccccc2F)cc1 1875161426 OZGSLEQWBAVGAS-RVDMUPIBSA-N 446.518 6.176 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OC(=O)Cc1ccc(F)cc1F 1875163454 LLLWBPNPBLUBAC-KRXBUXKQSA-N 444.380 5.296 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1ccccc1F 1875164181 WSWMMDRDMSTONP-YRNVUSSQSA-N 426.390 5.618 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N(CC)CCCC)n2CC(C)C 1875211013 WTBGXNRAHHTQKX-UHFFFAOYSA-N 429.653 6.122 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)OC(C)(C)C 1922077280 MGHSOXROPOSWGT-LKTXNROYSA-N 428.617 5.067 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1cccc2c1CCCN2C(=O)OC(C)(C)C 1922108032 QSBWKTWHARXKGK-RUZDIDTESA-N 436.596 5.798 30 10 IKEE C=C([C@H](NCC)c1ccc(I)c(Br)c1)[Si](C)(C)C 1923046049 NLCCJWRMOKRHLP-AWEZNQCLSA-N 438.223 5.138 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C1(C)C 1947971584 MDGYJFMRMYAZHH-HSZRJFAPSA-N 449.979 5.763 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)C2(C)C)c1 1947975282 ZYHXBXUMHDDOOY-DEOSSOPVSA-N 429.561 5.418 30 10 IKEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@H](C#N)c1ccc(Br)c(Cl)c1F 2036848509 AKDHYWSSIJDTHT-SNVBAGLBSA-N 445.638 5.606 30 10 IKEE CC(C)[C@@H]1CC[C@H](C)C(=CNc2ccccc2NC=C2C(=O)[C@@H](C(C)C)CC[C@H]2C)C1=O 2052073699 DKFUOMWETOKXBE-COPRSSIGSA-N 436.640 6.821 30 10 IKEE CC1CC(=Cc2ccccc2Br)C(=O)C(=Cc2ccccc2Br)C1 2053528306 DPCPTISPIMFHIU-UHFFFAOYSA-N 446.182 6.678 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCC23CC(NC(=O)OC(C)(C)C)C3)c1 2064203104 NGBACXIMUJNZHR-QJDQLVHXSA-N 441.572 5.466 30 10 IKEE Fc1c(Cn2nc(C3CC3)c(C(F)(F)F)c2Br)cccc1C(F)(F)F 2079806330 HZXSGDZRNKFWLH-UHFFFAOYSA-N 431.149 5.748 30 10 IKEE CCCc1ccc([C@H](C2CCC2)n2nc(C(F)(F)F)c(C#N)c2Br)cc1 2079894881 LOWHIBQTDOPARJ-INIZCTEOSA-N 426.280 5.878 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(C)sc(C)c1Br 2102882112 JEHOHAHXAMJCNV-MAUKXSAKSA-N 443.451 5.475 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(C)ccc(Br)c1F 2159120520 ILMDODOKNWQHTE-LPHOPBHVSA-N 441.385 5.244 30 10 IKEE CN(Cc1ccc(CNc2cccc(Br)c2C#N)cc1)C(=O)OC(C)(C)C 2162333487 FUTSYTDWMMLCBS-UHFFFAOYSA-N 430.346 5.300 30 10 IKEE COc1cc(Nc2ccc(C#N)c(Br)c2F)ccc1NC(=O)OC(C)(C)C 2162351233 YQKICHALRICPHA-UHFFFAOYSA-N 436.281 5.559 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@H](Nc3ccc(Br)cc3C#N)C[C@H]21 2166983210 OFDBVVPXJQUDNA-DKSSEZFCSA-N 434.378 5.301 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1CN(c1ccc(C#N)cc1Br)C1CC1 2174810570 NVZKHPIXHYZLCK-QGZVFWFLSA-N 434.378 5.079 30 10 IKEE C=CCCCCCCC[C@@H](O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2214620090 DXDHOTOGHFQWHZ-ZEQKJWHPSA-N 430.633 5.433 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[C@]2(C#N)Nc2cccc(Br)c2)C1 2233751173 KHIOYCABBZBONJ-FQELHTAISA-N 434.378 5.180 30 10 IKEE CN[C@@H](C#Cc1ccccc1Br)C[C@H](CC(C)(C)C)NC(=O)OC(C)(C)C 2235731847 XSVSIKXVKQYSPC-ZWKOTPCHSA-N 437.422 5.108 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1sc(Br)c(C)c1C 2254707950 ZHUQCFRVXOGRTC-GJZGRUSLSA-N 431.440 5.638 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCCN)c1ccc(Cl)c(Br)c1F 2262622010 KUDQLLXMDGHLNR-LJQANCHMSA-N 428.729 5.031 30 10 IKEE C=CCCC1(C(=O)Nc2ccc(Cl)cc2Br)CN(C(=O)OC(C)(C)C)C1 2266281380 MGXDELYXZXUGBJ-UHFFFAOYSA-N 443.769 5.244 30 10 IKEE CCC#C[C@@H](OCCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2275973506 PSZLPHLVNDUBRT-RUZDIDTESA-N 444.527 5.790 30 10 IKEE O[C@@H](C#Cc1ccc(Br)cc1)c1c(Br)cccc1Br 2278815486 GSTCAFJDYOPYMS-AWEZNQCLSA-N 444.948 5.059 30 10 IKEE CCN(c1c(Br)cccc1C#N)[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 2285221219 SVGHOIHHCWBENB-SJLPKXTDSA-N 436.394 5.231 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H](CC1CCCC1)C(=O)C#Cc1cccc(Br)c1 2296224175 HSQOHFLANPZGFK-GOSISDBHSA-N 434.374 5.091 30 10 IKEE COc1ccc(-c2oc3ccc4c(c3c2CC(=O)O)OC(=Cc2ccccc2)C4=O)cc1 2297670934 ZIJNZIQKAQVGCO-UHFFFAOYSA-N 426.424 5.352 30 10 IKEE COc1cccc(COc2ccc3c(c2)OC(=Cc2ccc(Cl)c(Cl)c2)C3=O)c1 2314437085 CCBPETNERYNLCK-UHFFFAOYSA-N 427.283 6.197 30 10 IKEE CN1C(=O)C(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=Nc1ccccn1 2314542688 YAAPYWQDWWFVIR-UHFFFAOYSA-N 430.316 5.882 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1c(F)cccc1Cl)O3)CN([C@@H](C)c1ccccc1)CO2 2322092610 ZONXWVSPCVEORY-INIZCTEOSA-N 449.909 6.317 30 10 IKEE CCOCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(Cl)cc1Cl)C3=O 2322145720 CYLGRYXHGPLCFV-UHFFFAOYSA-N 448.346 5.497 30 10 IKEE CCc1ccccc1NC(=O)COc1c(C=CC(=O)c2ccccc2)cc(Cl)cc1OC 2322545767 NRRMZTNPOBEABJ-UHFFFAOYSA-N 449.934 5.825 30 10 IKEE COc1cccc(C=CC(=O)c2cc(C)ccc2C)c1OCC(=O)Nc1ccc(C)cc1 2322624068 BUCOSLIGPGOQRC-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE C=C(C)COc1ccc2ccccc2c1C=CC(=O)c1cc(Cl)cc(Cl)c1OC 2322828399 GJYRRVGPZPDMLE-UHFFFAOYSA-N 427.327 7.006 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3ccc(C)cc3C)c2)c1 2323065006 NUSQKXBFWBUCJL-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCc3cccc4ccccc34)c2)cc1Cl 2323310553 GPCBLDKDDJBXGJ-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O)c1ccc(C(F)(F)F)cc1 2323347934 LBPWKQVASILSRQ-UHFFFAOYSA-N 444.792 6.194 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1)NCc1ccco1 2323511735 KIAHNPDOBCEORL-UHFFFAOYSA-N 430.287 5.178 30 10 IKEE Sc1nnc(-c2cccs2)n1N=Cc1ccc(OCc2ccccc2)c(Cl)c1 2323532333 MGRCAXYOBMQBFA-UHFFFAOYSA-N 426.954 5.410 30 10 IKEE CC(C)Oc1cccc(C(=O)Oc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)c1 2323808721 QPLJRBMGDRZTPE-UHFFFAOYSA-N 426.468 5.865 30 10 IKEE C=CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2OC)C3=O)c1 2323854743 VHBARMXKABECNK-UHFFFAOYSA-N 442.467 5.404 30 10 IKEE Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(F)cc2)C3=O)c(C)c1 2324331596 OWXHSXAKEXZTCA-SFHVURJKSA-N 445.490 5.773 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 2324365882 FIFHTMCZELGSKN-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2324373374 KNSNLZVUSDTAIT-INIZCTEOSA-N 433.891 5.671 30 10 IKEE Cc1c(O[C@H](C)C(=O)Nc2ccccc2Cl)ccc2c1OC(=Cc1ccncc1)C2=O 2324392531 QNVRSUXLEYCCEV-OAHLLOKOSA-N 434.879 5.066 30 10 IKEE Cc1cccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4C)cc(C)c3C2=O)c1 2324412701 QDKPGHKAAZOJDT-IBGZPJMESA-N 427.500 5.634 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2324475211 GCXAIZTWEHSDDR-INIZCTEOSA-N 447.918 5.925 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3)c(OCC)c2)c(OCC)c1 2324494940 CTLRPBTVNMHKFN-UHFFFAOYSA-N 446.543 6.358 30 10 IKEE N#C[C@H](C(=O)C=Cc1ccc2c(c1)OCCO2)c1nc(-c2ccc(Cl)s2)cs1 2324817304 NHLUQQRQXWWODF-CYBMUJFWSA-N 428.922 5.186 30 10 IKEE Cc1cccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4c(C)cccc4C)cc(C)c3C2=O)c1 2325145352 AULISNSRVUTHCZ-FQEVSTJZSA-N 441.527 5.942 30 10 IKEE O=C1C(=Cc2cccs2)Oc2cc(OCc3c(Cl)ccc(Cl)c3Cl)ccc21 2325168571 GNHIVNCKNCSDPU-UHFFFAOYSA-N 437.731 6.904 30 10 IKEE CCOC(=O)c1ccc(COc2cc(C)c3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)o1 2325402134 OHSCCEOOZPODGJ-UHFFFAOYSA-N 438.863 5.613 30 10 IKEE Cc1c(O[C@H](C)C(=O)Nc2nc3ccccc3s2)ccc2c1OC(=Cc1ccco1)C2=O 2325418476 MROVSGZKODFDNB-CQSZACIVSA-N 446.484 5.220 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1ccccc1)C2=O)Nc1ccccc1C(F)(F)F 2325706037 WNXGUGUNQXSKOI-UHFFFAOYSA-N 439.389 5.339 30 10 IKEE Cc1cc(Cl)ccc1NC(=O)COc1ccc2c(c1)OC(=Cc1cccs1)C2=O 2325716102 JNUNVXLBNQNDGC-UHFFFAOYSA-N 425.893 5.344 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1OC(=O)c1ccccc1[N+](=O)[O-] 2325727744 DZUKQTVRPOPARE-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccc(F)cc3)c2)cc1 2325733371 DRYNLJPXTRRWIP-UHFFFAOYSA-N 434.463 5.277 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1OC(=O)c1ccncc1 2325736732 LNSPHIGNJBHASW-UHFFFAOYSA-N 428.271 5.512 30 10 IKEE COc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c(C)c3C)c2)cc1 2325755704 HDSMTNASFXUALU-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2cccc(OC(=O)c3cccs3)c2)cc1Cl 2325766987 KIVJQFDWZGAFSP-UHFFFAOYSA-N 433.312 6.179 30 10 IKEE O=C(Cc1ccc(F)cc1F)Oc1cccc(C=CC(=O)c2cc(Cl)ccc2Cl)c1 2325773599 MLZXVMUMDJOJTE-UHFFFAOYSA-N 447.264 6.316 30 10 IKEE Cc1ccc(CSc2nnc(C)n2N=Cc2ccccc2OCc2ccccc2)cc1 2326296049 URVIQSZEJVFGJE-UHFFFAOYSA-N 428.561 5.648 30 10 IKEE Cc1ccc(OCCCc2nnc(SCc3cccc(C)c3)n2N=Cc2ccc[nH]2)cc1 2327158118 DORMUHHYDWVENR-UHFFFAOYSA-N 445.592 5.409 30 10 IKEE CCCOc1ccc(C=Nn2c(COc3ccc(CCC)cc3)nnc2SCC)cc1 2327358448 LJNGWZLFUVKZLB-UHFFFAOYSA-N 438.597 5.593 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2ccccc2F)n1N=Cc1cccn1C 2328557294 KQTZYJRPIALUPD-UHFFFAOYSA-N 449.555 5.126 30 10 IKEE CCOc1c(C=Nn2c(CCc3ccc(C)c(C)c3)nnc2SCC)cccc1OC 2328941524 ZGUKTLIAELRBIT-UHFFFAOYSA-N 438.597 5.082 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccncc2)cc1C 2329395674 RIPQERQYQFGOFI-UHFFFAOYSA-N 431.540 5.194 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccc3Cl)n2N=Cc2ccco2)cc1 2329554066 MCXGXEPZYQWEDP-UHFFFAOYSA-N 439.884 5.274 30 10 IKEE CSc1nnc(CCc2cccs2)n1N=Cc1ccc(OCc2ccc(C)cc2)cc1 2329624299 MDZLEYNKGKAQAO-UHFFFAOYSA-N 448.617 5.616 30 10 IKEE COc1ccccc1C=Nn1c(Cc2ccc(F)cc2)nnc1SCCc1ccccc1 2329851382 ASPDLDKDXMELMQ-UHFFFAOYSA-N 446.551 5.234 30 10 IKEE COc1ccc(C=Nn2c(Cc3cccs3)nnc2SCc2ccc(F)cc2)cc1 2330335505 SXUUNSAAOTYSHZ-UHFFFAOYSA-N 438.553 5.253 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1ccccc1F 2330695682 UJUZRTNOQOPABS-UHFFFAOYSA-N 444.502 6.219 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 2330765513 NPVFNCPODCGBFL-UHFFFAOYSA-N 445.471 5.671 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2-c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 2331018249 CEMYNALSYJQJQM-UHFFFAOYSA-N 449.462 6.377 30 10 IKEE Cc1cccc(C)c1NC(=O)CSc1nnc(C2CCCC2)n1N=Cc1ccccc1 2331065647 HXGARYPEFOFZNJ-UHFFFAOYSA-N 433.581 5.166 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc([N+](=O)[O-])c1OC(=O)c1ccc(CC)cc1 2331175176 XMLSMRVLCMKVDH-UHFFFAOYSA-N 445.471 5.671 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)COc1ccc(C)cc1C 2331179157 KKNJAANDEIMVTJ-UHFFFAOYSA-N 430.500 5.583 30 10 IKEE Cc1ccsc1C=Nn1c(SCc2cccc3ccccc23)nnc1-c1ccco1 2331216464 YSBMDSQVDBFNCK-UHFFFAOYSA-N 430.558 6.236 30 10 IKEE CC(C)(C)c1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccccc1F 2331400789 VHPBUIBHIMGELA-UHFFFAOYSA-N 437.371 6.196 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C(C)(C)C)c1 2331411955 VQGFKFTWHFCWDA-UHFFFAOYSA-N 449.407 6.071 30 10 IKEE COc1cccc(C=Nn2c(CC(C)C)nnc2SCc2cccc3ccccc23)c1O 2331464553 QIQRQVRQKPJOAF-UHFFFAOYSA-N 446.576 5.519 30 10 IKEE CC(C)Cc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(F)cc1F 2331477511 XFGOYEKISCGEEO-UHFFFAOYSA-N 438.906 5.722 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C2CCCC2)c(Cl)c1)c1ccc(Oc2ccccc2)cc1 2331595036 FKXIUZOFQSIACP-UHFFFAOYSA-N 446.930 7.124 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3[N+](=O)[O-])cc2)c(C)c1 2331762704 GCMVQCMSLPBQOO-UHFFFAOYSA-N 429.472 5.564 30 10 IKEE O=C(COc1ccccc1)Oc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1 2331859683 IUNIBWHGEVCYBE-UHFFFAOYSA-N 427.283 5.874 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)c1ccc(F)cc1 2331864089 XGZJOYCSHJXWNY-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE NCCCO[C@@H](C#CC1CC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2337503844 WODRCUBLOBZKMZ-MHZLTWQESA-N 441.571 5.665 30 10 IKEE CN(Cc1ccccc1)[C@H](CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C1CC1 2339586372 DWRJXEWJXQIEGY-HSZRJFAPSA-N 433.405 5.049 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(Nc2ccc(Br)cc2)[C@@H]1C(F)(F)F 2370262824 ZIYJUNSPJLOJJS-PBHICJAKSA-N 448.283 5.085 30 10 IKEE CCC(CC)(CC)COCc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1 2377309613 ZGKCHYGBWDUVOI-UHFFFAOYSA-N 425.216 5.481 30 10 IKEE COc1cc(C(=O)/C=C/c2cc(O)ccc2O)c(O)c(C/C=C(\C)CCC=C(C)C)c1O 14440784 JLHKUFGKLAUMQZ-GMBHSJTJSA-N 438.520 5.649 30 10 IKEE CC1(C)Cc2c(sc(/N=C/N(Cc3ccccc3)Cc3ccccc3)c2C#N)C(C)(C)N1 27522183 QEAORTCWKNTHGV-VUTHCHCSSA-N 442.632 6.141 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)/C=C\c3ccccc3)[C@H]2c2ccccc2[N+](=O)[O-])c1 33414461 HWDIOQVTFRUWJI-DJKHGBOQSA-N 440.455 5.086 30 10 IKEE C/C(=N/OCc1ccc(C)cc1)c1cc(-c2ccc(F)cc2)n(-c2cccc(C)c2)c1C 35843454 LTXABRYQWSVRFB-OFWBYEQRSA-N 426.535 7.149 30 10 IKEE C=CCC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)CC(C)C 36346123 QQUAINFHKALOOD-RUZDIDTESA-N 447.623 6.067 30 10 IKEE CC(C)CN(Cc1c(O)ccc2c1O/C(=C/c1c(F)cccc1Cl)C2=O)CC(C)C 37858008 HNJWVSUANJKIDK-LSHDLFTRSA-N 431.935 5.915 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1OC 38320855 DPYMYMWLVYFRPI-JJFYIABZSA-N 436.847 5.193 30 10 IKEE C=CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(CC)cc2)cc1 39872411 TZIUFBKJMXDYOV-VWLOTQADSA-N 437.495 5.670 30 10 IKEE COc1cccc2cc(C(=O)Oc3ccc4c(c3C)O/C(=C\c3cccc(F)c3)C4=O)oc12 41353943 PXVHKNZKXKGKDM-MTJSOVHGSA-N 444.414 5.724 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OCc4cccc(F)c4)cc(C)c3C2=O)c2ccccc21 41509818 SWYHOHPMBRMKCD-MXAYSNPKSA-N 427.475 6.304 30 10 IKEE Cc1cccc(/C=C2\Oc3c(cc4c(c3C)OCN(CCCc3ccccc3)C4)C2=O)c1 41587801 ZARYDXAHCYJLQX-MYYYXRDXSA-N 425.528 5.704 30 10 IKEE CCOc1ccccc1N/C(=N\C(=O)c1cccc(F)c1)NCCc1c[nH]c2ccccc12 66437725 IELQDJZEYWYVNV-UHFFFAOYSA-N 444.510 5.146 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1ccc(Cl)c(Cl)c1 100443348 CEPFWQCKHHAYHE-UHFFFAOYSA-N 431.473 7.508 30 10 IKEE O=C(C[C@H]1S/C(=N\c2ccccc2)N(Cc2ccco2)C1=O)Nc1cccc(Cl)c1 105757301 VUACMHXARXTOTL-IPQBESIJSA-N 439.924 5.094 30 10 IKEE COc1cccc(/C=N\Nc2nc(-c3cccs3)c(C)s2)c1OCc1cccc(C)c1 169939988 VMZDGMKHROWLGR-QFEZKATASA-N 449.601 6.522 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2ccc(F)cc2F)c1 169971130 MGLFNPQARAHLFJ-QHCPKHFHSA-N 444.437 5.537 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@@H]2c2ccccn2)cc1 169992335 KXBOSFZRPFVYLE-HSZRJFAPSA-N 442.515 5.171 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2c2ccccc2)cc1 170032513 XVLIRHBXTKYHFV-VWLOTQADSA-N 441.527 5.821 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1 170052340 VGYFKBIWCSQJEI-OAQYLSRUSA-N 438.310 6.085 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cn(C)c3ccccc23)ccc1F 170084007 FQHQPKYPHYSTKB-XMMPIXPASA-N 440.474 5.409 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2cccs2)c(OC)c1 170160695 KFBBWWXNNZDBBV-JOCHJYFZSA-N 449.528 5.165 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)c(Cl)c2)[C@@H]1c1cccnc1 170195973 TUKGQOYWUBSZGP-SFHVURJKSA-N 449.334 5.166 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccncc1 170209459 AGEUHEVJSNCTAI-QHCPKHFHSA-N 432.564 5.599 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(OCC)cc1 170214332 HKFKFZANHRTLNJ-HSZRJFAPSA-N 433.504 5.600 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccccc1)c1cc2cc(Cl)ccc2o1 170221912 DMJSUQQZIYEXAE-NRFANRHFSA-N 449.915 5.926 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc(F)cc1)c1ccc2ccccc2c1 170238346 YCUQNOUUHRKCJE-XMMPIXPASA-N 441.433 5.901 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccccc1F)c1c[nH]c2ccccc12 170246741 XDRBUDATZPMJRH-NRFANRHFSA-N 432.476 5.147 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccccc2F)c1 170248427 SGDWOGUZOTVAIL-DEOSSOPVSA-N 445.490 5.704 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1ccccc1C 170273171 MOVXDMBOESHXHX-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2C)[C@H]1c1ccco1 170284032 ZLLOAMOKYSGAHT-NRFANRHFSA-N 437.879 5.341 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccco2)cc1Cl 170285602 OULRGGYRFHCXMX-NRFANRHFSA-N 437.879 5.341 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@H]1c1ccco1 170286047 IYPPBFXUVNRRKM-DEOSSOPVSA-N 443.543 6.285 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@@H]1c1ccco1)c1c[nH]c2ccccc12 170287136 WXSKEVHFNVZXPD-XMMPIXPASA-N 434.451 5.697 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@H]1c1sccc1C 170319210 ZZFXBSXZNDIQLA-SFHVURJKSA-N 433.957 5.487 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(Cl)c1)c1cccs1 170368881 FPCMOGYSHIGLOF-GOSISDBHSA-N 446.311 5.543 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1c1ccc(OCC(C)C)cc1 170396845 JGILVXQTTIMPPH-HSZRJFAPSA-N 447.556 5.874 30 10 IKEE CCOc1cc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(CC)cc2)ccc1OC 170439737 LLUJEVGOZKCLQY-QFIPXVFZSA-N 437.536 5.172 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2nc3c(F)cc(F)cc3s2)c1 170461754 BSQUACUNMLCJPH-GOSISDBHSA-N 428.460 5.008 30 10 IKEE C=CCCCCC[C@H](NCC)c1cc(I)ccc1Br 233543811 QNSAYKZVYYGXFX-INIZCTEOSA-N 436.175 5.841 30 10 IKEE O=[N+]([O-])c1cc(C=Nc2c(-c3ccco3)nc3ccc(Cl)cn23)ccc1Br 252599928 DMYFXGQEPTYKMW-UHFFFAOYSA-N 445.660 5.669 30 10 IKEE CON=C(C)[C@@H]1C(=NOC)C[C@@H]2[C@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C 254627421 KLCZPBNZZJGNRW-SESRCYPWSA-N 432.605 5.212 30 10 IKEE O=C1/C(=C\c2cccn2-c2ccccc2)SC(=Nc2ccccc2)N1Cc1ccco1 254792388 QPCAXJZBLTYCSM-SUOSWRNOSA-N 425.513 5.875 30 10 IKEE C=C1/C(=C/C=C2/CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)/C=C\[C@H](C)C(C)(C)O)C[C@H](O)C[C@@H]1O 271779221 ZGLHBRQAEXKACO-VAUHOZNGSA-N 428.657 5.727 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(O)c(Cl)c2)c1 526487861 ARYHYEFUYYKKFP-HSZRJFAPSA-N 446.890 5.373 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1cc(Cl)c(O)c(Cl)c1 526808943 RXKXELGXRKMXTO-MSXFZWOLSA-N 449.407 6.116 30 10 IKEE Cc1nnc(SCc2cccc(F)c2)n1/N=C\c1ccc(OCc2ccccc2)cc1 526825556 ZDJYITUBRCTARS-YSMPRRRNSA-N 432.524 5.479 30 10 IKEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1ccccc1Oc1ccccc1 585254373 YWLZKMMUMVJMBM-UHFFFAOYSA-N 425.406 5.310 30 10 IKEE N#C[C@@H](C(=O)c1scc(Br)c1Br)c1cccc(Cl)c1F 705455609 GDXLPCQNZJGSMJ-SSDOTTSWSA-N 437.515 5.556 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCC[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 724019507 JPZIKGAWCZXVJM-CYFREDJKSA-N 429.561 5.153 30 10 IKEE CCOc1cccc(C=Nc2cc(C(F)(F)F)ccc2Oc2ccc(Cl)cc2C)c1O 725405876 ZEMRMSDTMUNMKB-UHFFFAOYSA-N 449.856 7.314 30 10 IKEE CC(=O)c1ccc(N=Cc2ccc(OC(=O)c3sc4ccccc4c3Cl)cc2)cc1 1084576195 OLUWXTSJSOAPNH-UHFFFAOYSA-N 433.916 6.727 30 10 IKEE C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@@]2(C)[C@@H]1CCc1ccoc1CN1CCC(C)CC1 1565535185 ZGHHYFNDDMTZKI-DEKSYSNASA-N 441.656 6.396 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=Nc1cccc(C)n1 1772734846 FKLIVAPXALQYSF-SKYIDQJDSA-N 446.488 5.348 30 10 IKEE CN1C(=O)/C(=C\c2ccc(Br)o2)SC1=Nc1nc(-c2ccccc2)cs1 1772736073 IGGRKUKPYJPAFI-AZYSWTJUSA-N 446.351 5.399 30 10 IKEE Cc1cc2oc(=O)c(C(=O)Nc3sc4c(c3C#N)CCCC4)c(C)c2c(C)c1Cl 1859742868 IKUOKSQEZNEHDV-UHFFFAOYSA-N 426.925 5.436 30 10 IKEE CCCCCCCCCCn1c(C)cc(OCc2ccc(C(=O)OCCC)cc2)cc1=O 1860785373 UEBRXTJLECBBRQ-UHFFFAOYSA-N 441.612 6.443 30 10 IKEE CCCCCCCCNC(=O)[C@](C)(CC)NC(=O)c1c(Cl)ccc(Cl)c1Cl 1861145805 WHKFZJYVKTTWPU-FQEVSTJZSA-N 435.823 6.022 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccccc1C 1862379963 PRWOQGHVYXASED-HXUWFJFHSA-N 432.347 6.070 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccccc2F)cc1 1862390375 BZSSUKDLHXUESC-VWLOTQADSA-N 443.518 5.947 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1C 1862406871 ZQUNNFIGQIXOFQ-IBGZPJMESA-N 434.319 5.297 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl 1862436676 ZDVVQHSITPDVCI-FQEVSTJZSA-N 440.883 5.159 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(C(C)C)cc1 1862446397 RFGINTJZYSOURY-QFIPXVFZSA-N 441.955 5.468 30 10 IKEE CCN(CC)CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccccc1 1862486991 PRXFIBUYEMWZRG-XMMPIXPASA-N 434.580 5.004 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2cccc(F)c2)c1 1862489112 PQWUJYSIOUMLEE-DEOSSOPVSA-N 435.539 6.134 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc([N+](=O)[O-])c1 1862582787 MLUJWSFYVPNFNF-BBATYDOGSA-N 449.290 5.278 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1 1862604810 IJPZIWDZQKJXEZ-DEOSSOPVSA-N 449.547 5.397 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2ccccc2)cc1F 1862637198 VINBBNDBTRSFAU-XMMPIXPASA-N 445.490 5.230 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862644531 NJBMGXIDLFMJDV-QFIPXVFZSA-N 439.527 5.510 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CC2)cc1 1862670364 RTYJRAXLSJTMOJ-DEOSSOPVSA-N 433.548 5.730 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc(Cl)c1 1862675342 IHWRYHNTNDGJPO-NRFANRHFSA-N 445.918 5.264 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc2cc[nH]c2c1)c1ccc(F)cc1 1862678190 KVKWXMMHCISHMA-HSZRJFAPSA-N 444.437 5.225 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCc2cccs2)cc1 1862687200 IAZMTXQJFHUEQC-QHCPKHFHSA-N 447.556 5.140 30 10 IKEE COc1cc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C2CCCC2)ccc1O 1862718263 WYPIADJMYPOKOR-XMMPIXPASA-N 443.499 5.075 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(Cl)cc3C)C2=O)cc1C 1862878164 UGEJUWXIIQBENM-UHFFFAOYSA-N 441.918 5.534 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(Cl)cc2)C1=O 1863173116 DRYZEWTWUDQUBX-NRFANRHFSA-N 435.955 5.763 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(C)ccc2C)=C(c2ccc(F)cc2F)C1=O 1863309454 HQYVTJKRUYAVQD-UHFFFAOYSA-N 440.534 6.134 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2OCCC)=C(c2cccs2)C1=O 1863476217 YSGXVOOZBMXQCF-UHFFFAOYSA-N 440.609 6.089 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(C)cc2)C(=O)N([C@@H](C)c2ccccc2)C1=O 1863623247 ZITGOPMUOJHYJH-QHCPKHFHSA-N 446.635 6.566 30 10 IKEE CCCCCCCCN1C(=O)C(NCCc2ccc(C)cc2)=C(c2ccccc2OC)C1=O 1863765192 OLNZBEPEOAYLGL-UHFFFAOYSA-N 448.607 5.276 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccc(C)cc2)=C(c2ccccc2Cl)C1=O 1863778561 QUWRQMZLQZCSLB-UHFFFAOYSA-N 438.999 5.879 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc(N2CCN(C(=O)C(C)(C)C)CC2)cc1 1868190563 ZFJOYBUPQXERSL-UHFFFAOYSA-N 429.649 5.252 30 10 IKEE CC(C)c1nc(Nc2ccc(C#N)cc2)cc(N2C[C@@H](c3ccccc3)Cc3ccccc32)n1 1868241798 BVEJNXJHXXYQII-DEOSSOPVSA-N 445.570 6.693 30 10 IKEE C=CCN(CC=C)c1cc(N2CCS[C@@H](c3ccc(OC)cc3)C2)nc(C(C)(C)C)n1 1869195806 NJAYQIHSHDPCAD-OAQYLSRUSA-N 438.641 5.256 30 10 IKEE C#CCOc1cn(Cc2ccccc2F)c(CN(CCCC)CCCCCC)cc1=O 1870561641 WHQVOVSSQPHCNC-UHFFFAOYSA-N 426.576 5.230 30 10 IKEE Cc1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)c1C 1871413271 CONYEGGDZJBXSB-ZKDCOOFMSA-N 447.918 5.979 30 10 IKEE CCCCCOC(=O)COc1ccc2c(c1C)O/C(=C\c1cn(CC)c3ccccc13)C2=O 1871427087 MUQRIEHSBLBTQD-IWIPYMOSSA-N 447.531 5.698 30 10 IKEE Cc1cc(OCC(=O)Nc2ccccc2C(C)C)cc2c1C(=O)/C(=C/c1cccc(F)c1)O2 1871455967 GFZHSNUMCLVCDR-CFRMEGHHSA-N 445.490 5.891 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cc(C)cc(C)c1)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872004611 QYRQWSHSQRWCIK-ZJSXRUAMSA-N 442.625 5.232 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccccc1C(C)C)[C@@H](C)CC)S(=O)(=O)c1cccs1 1872462760 ZQXSWPJZJVRWIX-UWJYYQICSA-N 434.627 5.102 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cccc(C)c1C)c1ccccc1)S(=O)(=O)c1ccccc1 1872514408 HGAUHWISWRFFOF-RUZDIDTESA-N 448.588 5.250 30 10 IKEE COc1cc(-c2nc3ccc(C(=O)Nc4ccc(C#N)cc4)cc3[nH]2)ccc1OC(C)C 1872735351 PROYBPLPFVDEMG-UHFFFAOYSA-N 426.476 5.150 30 10 IKEE N#C[C@H](C(=O)/C=C/c1ccc(Cl)c(Cl)c1)c1nc(-c2ccc3c(c2)OCO3)cs1 1872773804 YOBCMJDIBOJLAM-JBQRSBCVSA-N 443.311 5.735 30 10 IKEE COc1ccc(/C=N/Nc2oc([C@H]3C[C@@H]3c3ccccc3)nc2C#N)cc1Br 1873471042 VDWGDEHUZKLPGV-HJDYDJCCSA-N 437.297 5.034 30 10 IKEE CCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(-c2ccccc2Cl)o1 1873501418 VKJFLYFUHJELTE-DHRITJCHSA-N 440.931 6.068 30 10 IKEE CCOc1ccc(-c2nc(C3=C(N)N(c4ccc(C(C)(C)C)cc4)CC3=O)sc2C)cc1 1873529683 ILEFPUSWDFOJDA-UHFFFAOYSA-N 447.604 5.531 30 10 IKEE CCOc1ccc(-c2nc(C3=C(N)N(c4ccc(C(C)C)cc4)CC3=O)sc2C)cc1 1873529994 VJJLIBLTNGTLDV-UHFFFAOYSA-N 433.577 5.357 30 10 IKEE C=CCn1c(C(=O)Nc2cc(C)ccc2C)cc2c(NCCCCN(CC)CC)ncnc21 1873630347 XEUICQFEBLFXLK-UHFFFAOYSA-N 448.615 5.020 30 10 IKEE CCCSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1ccc(C)cc1 1874209622 PKTJOXJTGBYGOY-HYARGMPZSA-N 429.387 5.324 30 10 IKEE CCCOc1ccc(/C=N/n2c(COc3ccc(Cl)c(C)c3)nnc2SC)cc1 1874229382 IBVMOSXRHUJJSL-YDZHTSKRSA-N 430.961 5.212 30 10 IKEE C=C(C)CSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1ccc(Cl)cc1 1874260864 WERYPUDHOPDNAB-YSURURNPSA-N 434.899 5.339 30 10 IKEE Clc1cccc(/C=N/n2c(CCOc3ccccc3)nnc2SCc2ccccc2)c1 1874347037 SGYQKNVBMJZJET-YZSQISJMSA-N 448.979 5.728 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2)n1/N=C/c1ccccc1O 1874362828 ZCHCLFDJQCKTHA-YZSQISJMSA-N 428.561 5.252 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccccc2F)n1/N=C/c1sccc1C 1874373922 YMPIALMIFLVOMG-AFUMVMLFSA-N 436.581 5.861 30 10 IKEE Cn1cccc1/C=N/n1c(Cc2ccccc2F)nnc1SCc1ccccc1Cl 1874375524 ALVYEBNYCWNWFI-AFUMVMLFSA-N 439.947 5.174 30 10 IKEE O=[N+]([O-])c1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C(F)(F)F)cc1 1874461526 RGWQEGOJAKDVJN-LSFURLLWSA-N 441.822 5.033 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(F)(F)F)n2/N=C/c2ccc(C(C)C)cc2)c1 1874461607 WHCJAVCUVLVFPZ-RPPGKUMJSA-N 432.515 6.212 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccccc2CC)n1/N=C/c1ccc(Cl)cc1 1874504685 ZWUHECCVDZDPOY-ZVHZXABRSA-N 441.988 5.059 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccccc1Cl 1874517483 WDVXEHHTBUROAA-AUEPDCJTSA-N 439.799 6.536 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874528069 RDOVXCYHBNWYLK-DHRITJCHSA-N 447.435 6.619 30 10 IKEE COC(=O)c1ccc(COc2ccccc2/C=C/C(=O)c2ccc(Cl)cc2Cl)o1 1874573303 GXVZREQVPKKURF-UXBLZVDNSA-N 431.271 5.848 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2cc(C)ccc2C)cc1C 1874573869 JGWDTWRNNHGKPM-ACCUITESSA-N 429.516 5.534 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2c(C)cccc2C)cc1 1874579704 DGLAQXYPGIBHNF-SAPNQHFASA-N 443.543 6.006 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2cccc(C)c2)cc1F 1874582584 VNULCLMPABABHT-ZRDIBKRKSA-N 449.478 5.065 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(OC(=O)C(C)C)c(OC)cc2Br)cc1 1874701157 FDLXQKJBYRCIHX-DHZHZOJOSA-N 447.325 5.314 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)c1 1874704669 WOVIHPIIBCMJJP-CXYUPCIPSA-N 446.930 6.262 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(F)c(F)c3F)c2)cc1F 1874706974 IVZMNMLRQGERSM-WEVVVXLNSA-N 430.353 5.367 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OC(=O)c1ccc(F)c(F)c1F 1874709517 FMKQRFSAIQBISH-WTDSWWLTSA-N 430.353 5.367 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)c2cncc(C)c2)c1 1874711935 LNOXYPRBLIOMEH-VOTSOKGWSA-N 442.298 5.821 30 10 IKEE CCCCCCC(=O)Oc1cccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)c1 1874712609 IEDKUZDYCVGDIS-HMMYKYKNSA-N 428.528 7.251 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc1OC(=O)c1ccco1 1874714660 IIETYUBZTVLSRO-SOFGYWHQSA-N 426.852 5.374 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc(Cl)c2)c(Cl)c1)c1ccc2ccccc2c1 1875096387 LRDCYDKSQYRGDD-XYOKQWHBSA-N 447.317 7.262 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)ccc1OC(=O)c1ccc2c(c1)OCO2 1875102999 JQQDMUXJMOGYPF-KPKJPENVSA-N 444.483 5.492 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)Cc3cccs3)c(OC)c2)cc1 1875103485 AXCWUXFDZSQPHT-DHZHZOJOSA-N 440.948 6.017 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1cccnc1 1875105679 HDCRQIBEUJSLEZ-XBXARRHUSA-N 428.271 5.512 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc1Cl 1875108203 CYSUFRZWIWZDSF-SDNWHVSQSA-N 442.983 7.209 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc2c(c1)OCO2 1875110393 IRBFRUSSAIKYDO-RMKNXTFCSA-N 436.847 5.193 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)c(C)c1 1875131165 KRFSNWGGZVOZAA-UXBLZVDNSA-N 446.415 5.235 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)Cc1ccccc1[N+](=O)[O-] 1875134540 XIAQBSGIMSCVSD-FMIVXFBMSA-N 445.471 5.264 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1Br 1875139744 YEBFKGAROMGBOV-ACCUITESSA-N 443.381 6.838 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)c1cc(Cl)ccc1OC 1875159203 HDYMXKSJXCUZLF-XCVCLJGOSA-N 440.854 5.612 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)c1cc(C)cc(C)c1 1875175390 MTBWJEPELWWFEV-CSKARUKUSA-N 444.527 6.053 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1ccccc1OC 1875183597 JLZNDKGLIWQVQI-ACCUITESSA-N 444.527 6.134 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1cc(C)cc(C)c1 1875183771 RNGAUKMFNMRVFP-CSKARUKUSA-N 442.555 6.743 30 10 IKEE N#C[C@@]1([C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCC12CCC2 1875635937 YLXGVGMGFDTIPT-XRKRLSELSA-N 439.555 6.352 30 10 IKEE COc1ccc(NC(=O)CC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1C#N 1891266780 NSHNUUTVAMYSGO-UHFFFAOYSA-N 432.523 5.930 30 10 IKEE CC(C)N(CC#CCNC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(C)C 1891390420 CESLKGBAFKUIAO-UHFFFAOYSA-N 443.591 5.180 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@](C)(O)c1ccc(OCc2ccccc2)cc1 1922073071 ALUHHXDCCZZUNX-URLMMPGGSA-N 445.603 5.614 30 10 IKEE C=C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)(c1ccccc1)C(F)(F)C(=O)O 1927481640 HZFFBBSQBSOZAI-VWLOTQADSA-N 449.453 5.327 30 10 IKEE C=CCCCCC[C@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)NCCC 1947443397 VLEXMVBXDXCUOA-XMMPIXPASA-N 431.665 5.518 30 10 IKEE CC[C@H]1CC[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)CN1C(=O)OC(C)(C)C 1953238979 FTBYZVCFNCRUTL-NBGIEHNGSA-N 443.588 5.496 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CC[C@@H]1NC(=O)OCc1ccccc1 1959029913 IHGWYIWRGQQGBQ-OFVILXPXSA-N 435.524 5.088 30 10 IKEE C#CCCN(C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C)C(C)(C)C 1984724902 XNHMZLVZTCTQNZ-RUZDIDTESA-N 446.591 5.200 30 10 IKEE CC(C)(C)OC(=O)NC1(CC(=O)C=Cc2ccccc2)CCN(Cc2ccccc2)CC1 2028574710 ZQALDOVNBJOYMC-UHFFFAOYSA-N 434.580 5.219 30 10 IKEE Cc1cc(Br)c([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)s1 2029266491 DKPDMUOCMWCEKG-HNNXBMFYSA-N 425.323 5.965 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@](C)(C#N)[C@@H]1CCCSC1 2029445229 ZPRIQKKCQUTTNH-KUHUBIRLSA-N 425.392 5.616 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c3ccccc3)[C@H]2C1 2032058697 GEGHIVNIEHMGHD-KHOMTPLRSA-N 441.572 5.357 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(Cc3ccccc3)[C@@H](C)C2)c1 2037524450 AXIHTUTXLNSUBH-RXFWQSSRSA-N 435.568 5.384 30 10 IKEE CC1CC(=Cc2cccc(Cl)c2Cl)C(=O)C(=Cc2cccc(Cl)c2Cl)C1 2053621775 XTGHSTCJEVFVMM-UHFFFAOYSA-N 426.170 7.766 30 10 IKEE CC(C)N[C@]1(C#N)CCC[C@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)[C@@H]1C 2055575309 YIOMTCKGFVPZKK-WIRXVTQYSA-N 432.656 5.070 30 10 IKEE CCCc1ccc([C@H](C2CC2)n2nc(C(C)(C)C)c(C#N)c2I)cc1 2079880785 HHPQXYWYFFLFEH-GOSISDBHSA-N 447.364 5.609 30 10 IKEE CC(C)c1ccc([C@@H](C2CC2)n2nc(C3CC3)c(C=NO)c2I)cc1 2079938441 UKCNSJKHLFYOPG-IBGZPJMESA-N 449.336 5.296 30 10 IKEE Oc1c2c(nc3c(-c4cc(F)ccc4C(F)(F)F)c(C(F)(F)F)nn13)CCSC2 2081480383 TVCYLRGHRZFLBJ-UHFFFAOYSA-N 437.340 5.068 30 10 IKEE CC1(C)OB(c2cnc(N(Cc3ccccc3)CC3CCC3)c(C(F)(F)F)c2)OC1(C)C 2116147148 ZHWXGUZUKBJVLU-UHFFFAOYSA-N 446.322 5.206 30 10 IKEE CC1(C)C[C@@H](CNc2ccc(C#N)c(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2172550821 AETUJDMBGWSNMO-ZDUSSCGKSA-N 440.357 5.155 30 10 IKEE C[C@@H](NCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1ccc(C#N)cc1 2191232054 RJUKOTIKHOVJAL-HSZRJFAPSA-N 448.566 6.567 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(Nc2ccccc2Br)C[C@H]1C1CCC1 2194187597 LOIDPBMGNMPJMG-RXVVDRJESA-N 434.378 5.323 30 10 IKEE N#Cc1ccc(Br)cc1Oc1cc(Br)c(Br)cc1N 2225698003 PSSPBMNOCRKJGD-UHFFFAOYSA-N 446.924 5.220 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Br)ccc1[C@@H](N)C#Cc1cccc(Cl)c1 2231090256 VOJSXKZMOMRUJK-KRWDZBQOSA-N 435.749 5.501 30 10 IKEE CCc1ccc(C#CC(=O)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)cc1 2231140547 OEPOIRURQXIZAY-MUUNZHRXSA-N 447.575 5.014 30 10 IKEE CCCN(Cc1ccccc1)C(=O)c1ccc2cc(B3OC(C)(C)C(C)(C)O3)ccc2c1 2267506505 YYDKLKWAARQQIH-UHFFFAOYSA-N 429.369 5.191 30 10 IKEE C=CC[C@@]1(COc2nc(Cl)c(Cl)cc2Cl)CCCCN1C(=O)OC(C)(C)C 2287732190 RDCRGHYOMSCIAP-IBGZPJMESA-N 435.779 6.157 30 10 IKEE Cc1ccc(N2C(=O)C(=C3Sc4ccccc4N3C)SC2=NC2CCCCC2)cc1 2295165150 ORCVMQIXEABWQC-UHFFFAOYSA-N 435.618 6.175 30 10 IKEE COc1ccc(C=CC(=O)C[C@@H](Nc2ccc(C(=O)O)cc2)c2ccc(Cl)cc2)cc1 2295891389 OOPCCSFNEKSCOU-XMMPIXPASA-N 435.907 5.873 30 10 IKEE CN[C@H](C#Cc1ccc(Br)cc1)c1cccc(NC(=O)OC(C)(C)C)c1F 2296308876 NXLPYLCOYLNYPF-QGZVFWFLSA-N 433.321 5.247 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)CCCCCN(C)C(=O)OC(C)(C)C 2296310536 KWEIGMROEHHQSZ-HXUWFJFHSA-N 437.422 5.206 30 10 IKEE CCCCN(CCCC)C[C@H](O)Cn1cc(C=CC(=O)c2ccc(C)cc2)c2ccccc21 2297359304 HUVFCCVAOSDMDI-SANMLTNESA-N 446.635 6.109 30 10 IKEE O=C(C=Cc1ccco1)Nc1cccc(C(=O)C=Cc2ccc(-c3ccccc3Cl)o2)c1 2314523202 MLUNSYAIOXQYNN-UHFFFAOYSA-N 443.886 6.741 30 10 IKEE CCOc1ccc(C=C2SC(=Nc3nccs3)N(C3CCCCC3)C2=O)cc1OC 2314542943 RAGKHIJFUYQSCV-UHFFFAOYSA-N 443.594 5.487 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@H](C#N)[C@@]1(C)CCCCN1C(=O)OC(C)(C)C 2318946298 IGPRLFXNMAINKX-NBGIEHNGSA-N 449.636 6.018 30 10 IKEE COc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CC2)c(OC)c1 2320869770 SNKCAOGPFJLCKR-UHFFFAOYSA-N 444.560 5.500 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(C2CC2)n1N=Cc1cccc2ccccc12 2320922064 YWNQLEHKEZSNKF-UHFFFAOYSA-N 436.943 6.276 30 10 IKEE CC(C)(C)Cc1nnc(S)n1N=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 2321937236 DWCWQQXECRHQAX-UHFFFAOYSA-N 449.407 5.923 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc3c2CN(C2CCCCCCC2)CO3)C1=O 2322174715 IBSVNWWVYAEINS-UHFFFAOYSA-N 433.548 5.966 30 10 IKEE CCCCCN1COc2c(cc3c(c2C)OC(=Cc2ccc(Cl)cc2Cl)C3=O)C1 2322347014 VKWABPFWEJFOSD-UHFFFAOYSA-N 432.347 6.260 30 10 IKEE O=C(C=Cc1c(OCc2ccccc2)ccc2ccccc12)c1ccc(Cl)c(Cl)c1 2322583020 NDZJOYDXHXBSCK-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE Cc1ccc(C(=O)C=Cc2c(OCC(=O)N[C@H](C)c3ccccc3)ccc3ccccc23)cc1 2322586306 BKXPDLLBMIYRHH-JOCHJYFZSA-N 449.550 6.301 30 10 IKEE O=C(COc1ccccc1C=CC(=O)c1cc(Cl)ccc1Cl)Nc1ccccc1F 2322999417 BZSBUDBMXBTEMJ-UHFFFAOYSA-N 444.289 6.046 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1OCc1ccccc1C 2323044042 FUHXAGITOKFEJX-UHFFFAOYSA-N 434.535 7.146 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1OCC(=O)Nc1ccc(F)cc1 2323118411 RLCQOAWZJHBUNH-UHFFFAOYSA-N 439.870 5.401 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(=Cc2c(F)cccc2Cl)C3=O)cc1 2323190059 FQPHUFOZJPAYBH-UHFFFAOYSA-N 438.838 5.388 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2Cl)C3=O)cc1 2323200379 NSLBFHGPODSGFU-UHFFFAOYSA-N 434.875 5.557 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCc3cccc(Cl)c3)c2)cc1F 2323201706 GDCGZJVPUISTKK-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE CCCOC(=O)COc1cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)ccc1OC 2323231988 MCPOWOGGYOCSHC-UHFFFAOYSA-N 446.499 5.716 30 10 IKEE CCOc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1 2323511413 XDNKUNARKGSQHZ-UHFFFAOYSA-N 438.479 5.877 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2F)c(Cl)c1)c1ccc(Cl)cc1Cl 2323512315 BQVLWDDNSPHZLI-UHFFFAOYSA-N 435.709 7.261 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccccc1C 2323692302 LWIWLULINTZUBI-UHFFFAOYSA-N 443.499 6.115 30 10 IKEE C[C@H]1CN(Cc2c(O)ccc3c2OC(=Cc2ccc(-c4ccccc4)cc2)C3=O)C[C@@H](C)O1 2324017501 ZVLSSKKJLAAEFD-KDURUIRLSA-N 441.527 5.285 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(ccc(OCCc4ccccc4)c3C)C2=O)cc1 2324283553 MFVVMYIIXBRNKW-UHFFFAOYSA-N 427.544 6.079 30 10 IKEE CC(C)OC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2324304967 DKCTXHWWGRXAPH-SFHVURJKSA-N 428.484 5.689 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(O[C@H](C)C(=O)Nc3ccc(F)cc3)c2C)C1=O 2324319297 KSUVEXDFNXXPPB-QGZVFWFLSA-N 431.463 5.465 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OCCc3ccccc3)c(OC)c2)c1 2324404394 SJHKKYNNUILTJT-UHFFFAOYSA-N 446.543 6.010 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)c(C)c1 2324494070 NWVRVHGMFYSNTD-QGZVFWFLSA-N 447.918 5.979 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OCCOc4ccc(C)cc4)c3C)C2=O)c1OC 2324538592 ONWKKCRQFJAEBP-UHFFFAOYSA-N 446.499 5.395 30 10 IKEE CN(C)c1ccc(C=C2Oc3cc(OCCCCOc4ccccc4)ccc3C2=O)cc1 2324574751 GHIFOTVDLWPKCG-UHFFFAOYSA-N 429.516 5.607 30 10 IKEE C=C(C)COc1c(Cl)cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1OCC 2324581271 POGJLEDYFHBEJT-UHFFFAOYSA-N 426.984 7.196 30 10 IKEE CC(C)(C)c1ccc(OCCOc2ccc3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1 2324685037 SYZQYNGSSVKLNH-UHFFFAOYSA-N 432.491 6.197 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(C(C)(C)C)cc3)n2)c1C 2324718981 CMJOJJKIFINVPQ-QHCPKHFHSA-N 442.628 7.231 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OCc3cccc(Oc4ccccc4)c3)cc(C)c2C1=O 2325351303 NNIADZKWXWDYBU-UHFFFAOYSA-N 448.518 7.291 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)c(C)c1 2325736338 FATOGJQXBINJAI-UHFFFAOYSA-N 446.415 5.235 30 10 IKEE COc1cc(C(=O)Oc2cccc(C=CC(=O)c3ccc(C)cc3)c2)c([N+](=O)[O-])cc1OC 2325738484 SUZBZKIVDNTOLU-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OC(=O)c1cc2ccccc2n1C 2325741592 ZUSJXJJQAUTDMS-UHFFFAOYSA-N 443.474 5.750 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OC(=O)COc2cccc(C)c2C)c1 2325743426 RANUXSVRSZCIBP-UHFFFAOYSA-N 430.500 5.501 30 10 IKEE Cc1ccccc1C(=O)Oc1cccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)c1 2325754869 PKPFWGUGWIRAFF-UHFFFAOYSA-N 434.491 6.903 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(C)cc3)c2)c(OCC)c1 2325762630 DWNVKJBICOSHNJ-UHFFFAOYSA-N 444.527 5.837 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OC(=O)COc1ccccc1 2325764289 YLUXVCMCFZWGGH-UHFFFAOYSA-N 430.500 5.501 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)COc3ccccc3OC)c2)cc1C 2325771328 MYHUUEBYQPJKGQ-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc(Br)c1O 2325795060 WDZFFBSTLMSHBW-UHFFFAOYSA-N 433.342 5.890 30 10 IKEE CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1c[nH]c2ccccc12 2325904124 FCOLPENAETVUFF-UHFFFAOYSA-N 447.608 5.939 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCC=C)n1N=Cc1c[nH]c2ccccc12 2326470632 SIDRBFRDNMVOKY-UHFFFAOYSA-N 445.548 5.064 30 10 IKEE C=C(C)CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccc(C(C)C)cc1 2326908585 CRKWTYHFXMPTGI-UHFFFAOYSA-N 448.680 6.711 30 10 IKEE Cc1ccc(C)c(OCc2nnc(SCc3ccccc3)n2N=Cc2ccco2)c1C 2327272776 KBRQSLQALWSBLO-UHFFFAOYSA-N 432.549 5.550 30 10 IKEE CCCSc1nnc(COc2c(C)cccc2C)n1N=Cc1ccc(C(F)(F)F)cc1 2328559468 MGPYUHFNPBPPMX-UHFFFAOYSA-N 448.514 5.877 30 10 IKEE Cc1ccc(C)c(CSc2nnc(COCc3ccccc3)n2N=Cc2ccco2)c1 2329342943 PDVNQOZDMCHDDU-UHFFFAOYSA-N 432.549 5.379 30 10 IKEE Clc1ccc(CSc2nnc(COc3ccccc3)n2N=Cc2cccs2)cc1 2329921173 JVIOGJFCDVGNBD-UHFFFAOYSA-N 440.981 5.747 30 10 IKEE Fc1cccc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccccc2Cl)c1 2330275753 QIUZBCLKSKJKNX-UHFFFAOYSA-N 442.991 6.368 30 10 IKEE O=C(Cc1cccs1)Oc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl 2330625279 SFKRSJRZMQHMBT-UHFFFAOYSA-N 427.865 5.354 30 10 IKEE O=[N+]([O-])c1cccc(C=Nn2c(SCc3ccc(F)cc3)nnc2-c2ccccc2)c1 2330639984 FXDPVCLBXANONS-UHFFFAOYSA-N 433.468 5.167 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl 2330805457 REFXNTGROKHBDN-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3)c(OC)c2)cc1 2330846548 FVPVYJBGMTYKEB-UHFFFAOYSA-N 428.528 6.082 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)ccc1OC(=O)c1cccc(Cl)c1 2330950881 ZYMHFZZEPTYERW-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE Cc1cccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C2CCCC2)c1 2331094210 VILCEBLUIQDBDE-UHFFFAOYSA-N 445.419 6.725 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3C)c([N+](=O)[O-])c2)ccc1F 2331340092 RUDDEVUILLCMAC-UHFFFAOYSA-N 447.462 5.785 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)CC(C)(C)C)c(Br)c1 2331361423 STOULAFBPBHLSV-UHFFFAOYSA-N 445.353 6.004 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(F)c2)cc(OC)c1OC(=O)CC(C)(C)C 2331464560 RGRBAMKUVNWXPK-UHFFFAOYSA-N 440.511 5.809 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)cc(Cl)c1OC(=O)c1cnccn1 2331468613 DFJZLOYTVIBRMH-UHFFFAOYSA-N 444.874 5.407 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)c1ccncc1 2331488869 DLWXIYWNEFJGEI-UHFFFAOYSA-N 435.907 5.982 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 2331491867 SRPBIDXPSIWHMD-UHFFFAOYSA-N 426.556 7.223 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])cc1C 2331527525 FFANXRIICYXNES-UHFFFAOYSA-N 449.434 5.231 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc(F)c2)cc1)c1ccc(Oc2ccccc2)cc1 2331592257 LYJUKZMGDDBUKO-UHFFFAOYSA-N 438.454 6.733 30 10 IKEE CCc1ccc(C=Nn2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2C(C)C)cc1 2331684891 HVOGXOIHLKUGRY-UHFFFAOYSA-N 435.597 5.194 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(Br)cc3)cc2)cc1C 2331704461 QNOGVHQHKHWJLG-UHFFFAOYSA-N 449.344 6.110 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)COCc1ccccc1 2331711657 RHRIFEPDSQGUMK-UHFFFAOYSA-N 444.527 5.720 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OC(=O)C(F)(F)F)c(Cl)c1 2331743252 OEMGGOLRYIYUKB-UHFFFAOYSA-N 433.209 5.674 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)c1ccncc1 2331801018 IKFMRVNIGJJXNU-UHFFFAOYSA-N 443.543 6.202 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)cc(OC)c1OC(=O)CC(C)C 2331865934 PPAVSMIZNGSDRO-UHFFFAOYSA-N 448.515 5.713 30 10 IKEE CN[C@@H](C#CC1(SC)CCC1)c1cc(Cl)c(NC(=O)OC(C)(C)C)c(Cl)c1 2361357671 FFTPRFNZDMODBB-INIZCTEOSA-N 429.413 5.890 30 10 IKEE C=C([C@@H](OCCC(=O)O)c1sc(Cl)cc1I)C(C)(C)C 2366704477 NWZBPBZBBHCQIW-GFCCVEGCSA-N 428.719 5.141 30 10 IKEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(C)c(C)c(Br)c(C)c1C 2375346742 FGKZJWJNHPIEHZ-XLIONFOSSA-N 437.422 5.250 30 10 IKEE CCCCOc1ccc(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1OCC 2609120 VMIWGGRXIFYVRR-QGZVFWFLSA-N 440.609 5.893 30 10 IKEE O=C(C[C@H](/N=C/c1ccccc1Cl)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 3082505 JAVCPZROVXFRMI-CPHRPENTSA-N 434.106 5.679 30 10 IKEE C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O)C[C@@H]1CO 3798266 PHNIFGLIGXOIQV-PNPXQVCKSA-N 430.673 5.952 30 10 IKEE CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C)cc3)C2)[C@@H]1c1ccc(C)cc1 18119358 BLSOHRQWVXXHHO-BTYSJIOQSA-N 436.555 6.224 30 10 IKEE COc1cccc2cc(C(=O)Nc3sc4c(c3C#N)CCN(Cc3ccccc3)C4)oc12 20885938 ALNCDANUGSLTJE-UHFFFAOYSA-N 443.528 5.185 30 10 IKEE CCc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc3ccccc3c2)cc1 21225412 CQHWTNFZTRDXJC-NJHZRGNWSA-N 444.578 7.382 30 10 IKEE CC(C)Oc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(Cl)c(Cl)c1)C2 21233844 SCHZBCFZIPSMNW-NVXWUHKLSA-N 444.358 5.785 30 10 IKEE CCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(C(C)(C)C)cc2)C3)cc1OC 21258358 PEMKTDXSIIKAJE-PZJWPPBQSA-N 447.575 5.396 30 10 IKEE Cc1cccc(C(=O)/N=C(/NCCc2c[nH]c3ccccc23)Nc2ccc(C(C)C)cc2)c1 32943361 PVASWWLCJLBAEV-UHFFFAOYSA-N 438.575 6.040 30 10 IKEE COc1cc(/C=C2\S/C(=N/Cc3ccccc3)N(Cc3ccccc3)C2=O)ccc1O 33097098 YNYOPHJNYDOHFX-GTZNUUOLSA-N 430.529 5.074 30 10 IKEE COc1cc([C@@H]2c3sc(O)nc3SC[C@H]2C=O)ccc1OCc1cccc(Cl)c1 35531334 VNUPFPYZJDDZSF-KDOFPFPSSA-N 447.965 5.142 30 10 IKEE C=CCc1ccc(OCCCn2c(Cc3ccccc3Cl)nc3ccccc32)c(OC)c1 40225784 ZDHPMFSYVPMWNI-UHFFFAOYSA-N 446.978 6.487 30 10 IKEE CC(=O)C1=C(C)Nc2nc(SCc3ccccc3)nn2[C@@H]1c1cccc(OC(C)C)c1 54644514 ZUEBETWHAYUUKF-JOCHJYFZSA-N 434.565 5.236 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 100153184 RMWNPVWBNODTSJ-UHFFFAOYSA-N 444.597 5.073 30 10 IKEE CCN1C(=O)C[C@@H](C(=O)Nc2ccc(C)c(Cl)c2)S/C1=N\c1cccc(Cl)c1 100195819 BRQPBGDHMMMNGS-DJUDNFEDSA-N 436.364 5.282 30 10 IKEE CCn1cc(/C=C2/Oc3c(ccc(OC(=O)/C=C\c4ccccc4)c3C)C2=O)c2ccccc21 102738272 DQNPXMGSPSHECL-FTPXOBQYSA-N 449.506 6.205 30 10 IKEE C=CC(=O)OCC[N+](CC)(CC)C[C@@H](O)COCCCCCCCCCCCCCC 111900202 LUQANLJGQLAYCD-RUZDIDTESA-N 442.705 5.651 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1ccc(Cl)c(Cl)c1 138198182 XEDPQAFFFFRWKP-UYOCIXKTSA-N 446.190 6.375 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 169974766 AKOUUKXLWJIDMN-RUZDIDTESA-N 439.555 6.329 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1)c1c[nH]c2ccccc12 170062677 CXLSFCXUMAHWOD-JOCHJYFZSA-N 446.865 5.743 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1)c1c[nH]c2ccccc12 170062679 CXLSFCXUMAHWOD-QFIPXVFZSA-N 446.865 5.743 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)C)cc2)c(C)c1 170067004 CKOLNVATUPRPMG-XMMPIXPASA-N 445.515 5.499 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C(C)(C)C)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1C 170153590 NJOYWSCTWINMMI-UHFFFAOYSA-N 449.554 5.869 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1cccs1)c1cccc(Cl)c1 170166944 OVDYRBJZGFVKIR-LJQANCHMSA-N 427.884 5.319 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)[C@@H]2c2cccnc2)cc1 170189419 BEZBWRPFQKGOOH-QFIPXVFZSA-N 444.874 5.573 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccncc2)cc1 170205575 XRBIFLFHQNMNCL-DEOSSOPVSA-N 442.515 5.270 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1cccc2ccccc12 170221135 CHNCTSOGLXFRBU-VWLOTQADSA-N 443.543 5.863 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1 170223360 UPJJWIVSQUSIHH-JOCHJYFZSA-N 431.463 5.234 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2)c(OCC)c1 170226164 JHTCETUVGMFCGS-DEOSSOPVSA-N 443.499 5.267 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@H]1c1ccc(C(C)C)cc1 170245513 NXAPNYLHWDOVIO-OAQYLSRUSA-N 427.928 5.460 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@@H]1c1ccc(CC)cc1 170268147 FVYBNIKNHLIXBQ-QFIPXVFZSA-N 441.955 5.680 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(C)o2)cc1C 170299167 OXMLYQDOAGUNSF-JOCHJYFZSA-N 435.451 5.135 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2c[nH]c3ccccc23)cc1 170384015 TVWWWPBJYJSVKA-QFIPXVFZSA-N 444.512 5.411 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(C)c(C)c2)cc1 170453168 RBPHXDJOOYEAQH-RUZDIDTESA-N 434.580 5.665 30 10 IKEE CCCCCCCCCOc1ccc([C@H]2NN=C3CCN(C)C[C@H]32)cc1Br 217065835 GTNZMTSSBRPWOG-XMSQKQJNSA-N 436.438 5.531 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2 226853787 LMUCTJPXITUQHT-RRQZXNHTSA-N 430.419 8.169 30 10 IKEE Cc1cccc2c1N(C)C(=O)/C2=C1\SC(=Nc2ccccc2)N(c2ccccc2)C1=O 254567921 VPOZDOUCRJMOSM-ZYATYYCISA-N 425.513 5.150 30 10 IKEE COc1ccc(CSc2cccc(Br)c2)cc1B1OC(C)(C)C(C)(C)O1 312145972 VCLWQDKBAFMAFF-UHFFFAOYSA-N 435.192 5.049 30 10 IKEE CN(C)c1ccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccccc2)cc1 526800519 RXFSSVOUJLSSNT-DIBXZPPDSA-N 441.604 5.304 30 10 IKEE CCCCOc1ccc(/C=N\n2c(CCC)nnc2SCc2ccc(C)cc2C)cc1 526811486 LFVQDYQLMWTIHW-ONUIUJJFSA-N 436.625 6.201 30 10 IKEE CCCCCOc1ccc(/C=N\n2c(C)nnc2SCc2cccc(F)c2)cc1OC 526824935 BBIUGYWQMKKDFQ-MYYYXRDXSA-N 442.560 5.478 30 10 IKEE FC(F)(F)Sc1cc(C(F)(F)F)cc(C(F)(F)F)c1I 575340713 ZEXYVMJROLOMOY-UHFFFAOYSA-N 440.068 5.941 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)Nc3cccc(C)c3)C2)c1 585878690 GCQDNFAUGPQWAK-HSZRJFAPSA-N 434.584 5.259 30 10 IKEE C=C(C)[C@@H]1CC[C@@]2(CO)CC[C@@]3(C)[C@@H](CC[C@H]4[C@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@@]34C)[C@H]12 613815566 FVWJYYTZTCVBKE-NTHDVHDXSA-N 442.728 6.997 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCO[C@H](C(F)(F)F)C1 698488932 MRPWYWDDGSTWSI-WMLDXEAASA-N 449.267 5.194 30 10 IKEE CSc1cnc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)s1 712918763 DMVXSLNHZMINHN-ZDUSSCGKSA-N 440.388 5.634 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H]3C[C@@H](CN3Cc3ccccc3)C2)c1 716622123 SYYQYTYQHZLHLK-ZYVVXELTSA-N 447.579 5.384 30 10 IKEE CCCCCCCCCCOc1ccc(C(=O)ON=C2C(=O)N(C)c3ccccc32)cc1 1084212089 OBVKIDMSWVHBBI-UHFFFAOYSA-N 436.552 5.744 30 10 IKEE C=CC[C@H]1CCN(C(=O)[C@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)C1 1540089584 LSGPGVDCMYUETG-HOTGVXAUSA-N 439.606 5.110 30 10 IKEE CCC(CC)CN(CCC#N)C(=O)CNc1nc(C)nc2sc(-c3ccccc3)cc12 1585341971 FXRDXTLAIILGHM-UHFFFAOYSA-N 435.597 5.257 30 10 IKEE C=CCN1C(=O)/C(=C\c2cccc3ccccc23)S/C1=N/c1ccc(O)cc1C(=O)O 1614232676 FNOOBQCAAXRPIN-LSRULMOLSA-N 430.485 5.034 30 10 IKEE Cc1c(Cl)cccc1NC(=O)c1oc2c(c1C)C(=NNc1ccccc1)CC(C)(C)C2 1772728620 SBGFOFTTZNPACI-UHFFFAOYSA-N 435.955 6.591 30 10 IKEE COc1cc(/C=C2\SC(=Nc3nc(C)cs3)N(C3CCCCC3)C2=O)ccc1O 1772740220 WTGDPSODMPBWOT-DDOGFQLYSA-N 429.567 5.102 30 10 IKEE N#Cc1ccccc1NC(=O)c1nn(Cc2cccc(Cl)c2)c(-c2ccccc2)c1Cl 1859382785 QNFLEJWZSJYIIM-UHFFFAOYSA-N 447.325 6.029 30 10 IKEE CCCCCCCCNC(=O)c1ccc2nc(-c3cc(OC)c(OC)c(OC)c3)[nH]c2c1 1861876406 WQHQCFKQYRWSMH-UHFFFAOYSA-N 439.556 5.346 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C(C)C)cc1 1862380514 FGHXXPBKKBJWEP-FQEVSTJZSA-N 432.347 6.104 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2ccc(C)cc2)cc1C 1862400782 MQQNCGXVDVSZGN-RUZDIDTESA-N 441.527 5.399 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(F)cc1 1862413554 GJHSWNBZGZZLKB-AVRDEDQJSA-N 445.481 6.041 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccco2)cc1 1862434418 YIXUDDUETGJODM-NRFANRHFSA-N 437.879 5.110 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@@H]2c2cccc(O)c2)cc1 1862475024 BDUYQAHJIHXVBP-JOCHJYFZSA-N 433.891 5.133 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862483841 DYNCZJVLHYLLPU-YADARESESA-N 435.564 5.941 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2cccc(Br)c2)cc1 1862540430 NPEVFJZATZSXQB-JLTOFOAXSA-N 442.353 5.388 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(Cl)cc1 1862590859 AEFVKKZRWXZKGF-NYHFZMIOSA-N 433.891 5.385 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCC(C)C)c1 1862614367 AEIXUMBYWDDPCU-HSZRJFAPSA-N 435.564 5.617 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2[C@H](C)CC)c1 1862618705 HNGIAKHQMSWBMV-HXOBKFHXSA-N 435.564 5.760 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1CCCCN(C)C 1862648597 GCVPTQWGIKPPAP-VWLOTQADSA-N 442.559 5.068 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2[C@@H](C)c2ccccc2)c1 1862648784 JTDIZHUERWJEKI-CCLHPLFOSA-N 447.534 6.488 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C(C)C)cc3)[C@H]2c2ccccc2)cc1 1862660262 JILCGOXXSKDUSU-RUZDIDTESA-N 441.527 5.597 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2cccnc2)c1 1862660950 STXQCPVWAZKLKF-XMMPIXPASA-N 426.516 5.292 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(N(C)C)cc1 1862727005 UPNHQKTZYRVAQV-VWLOTQADSA-N 440.543 5.406 30 10 IKEE Cc1ccc(C)c(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3ccccc3C#N)C2=O)c1 1862804353 DZZBBBNKPWYLGE-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)c1ccc(OCC#N)cc1 1865940004 YFSFCSCWQUZLSL-UHFFFAOYSA-N 434.517 5.309 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(C)cc1)C(=O)O 1866029644 YICIGGABCZDNDU-SANMLTNESA-N 445.688 7.368 30 10 IKEE CCOC(=O)c1c(NC(=O)c2ccc(C#N)nc2)sc(C)c1-c1ccc(Cl)cc1 1866038518 HNPRFFQSPJIISI-UHFFFAOYSA-N 425.897 5.073 30 10 IKEE CC(C)N1CCN(c2cc(Nc3cccc(C#N)c3)nc(-c3cccnc3)n2)c2ccccc21 1868552900 FEMPKJIFGGLWTI-UHFFFAOYSA-N 447.546 5.520 30 10 IKEE N#Cc1nnn(-c2ccc(Cl)c(Cl)c2)c1NC(=O)c1cc(Cl)ccc1Cl 1870153971 LORKWMVAXMEHGO-UHFFFAOYSA-N 427.078 5.005 30 10 IKEE CCCCCCCOc1cn(CCCOCCCC)c(CN2C[C@@H](C)C[C@@H](C)C2)cc1=O 1870409226 MDJKVBAGMPEFQE-PSWAGMNNSA-N 448.692 5.882 30 10 IKEE CCCCCCCOc1cn(Cc2ccco2)c(CN2CCc3ccccc3C2)cc1=O 1870411461 ABEUDMBPRIQIHS-UHFFFAOYSA-N 434.580 5.397 30 10 IKEE C=CCOc1cn(Cc2ccccc2Cl)c(CNc2cccc(Cl)c2C)cc1=O 1870810113 MOJFJXZXPTXBFV-UHFFFAOYSA-N 429.347 5.689 30 10 IKEE C=CCn1cc(OCc2ccc(CC)cc2)c(=O)cc1CNc1cccc(C(F)(F)F)c1 1870889973 KFOVTPWLBPOLBB-UHFFFAOYSA-N 442.481 5.807 30 10 IKEE C=CCn1cc(OCc2cccc3ccccc23)c(=O)cc1CNc1ccc(C)c(Cl)c1 1870918893 VRCORBTVGNTDGE-UHFFFAOYSA-N 444.962 6.340 30 10 IKEE C#CCOc1cn(Cc2ccccc2C)c(CNc2ccc(-c3ccccc3C)cc2)cc1=O 1871007352 XYXYTDDHJBZZLF-UHFFFAOYSA-N 448.566 5.805 30 10 IKEE CCCCCCCCn1cc(OCCc2ccccc2)c(=O)cc1CNc1ccc(C)cc1 1871142990 PJXHDILRPITXIY-UHFFFAOYSA-N 446.635 6.751 30 10 IKEE COc1ccc(CCN2COc3cc(C)c4c(c3C2)O/C(=C\c2ccc(C)cc2)C4=O)cc1 1871345507 ASBGRLQFPZRYFH-MYYYXRDXSA-N 441.527 5.323 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccccc1Cl)C3=O)CN(Cc1ccccc1F)CO2 1871352687 XVMCZVWJUDSGPH-JJFYIABZSA-N 435.882 5.756 30 10 IKEE Cc1cc(OC(=O)/C=C/c2cccs2)cc2c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O2 1871381144 QBBLQMYFWDSQMU-PCAIFWSDSA-N 430.525 6.415 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871387774 NLTMAJGIWBLVRN-UCQKPKSFSA-N 434.875 5.964 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccc(Cl)cc4)ccc3C2=O)cc1 1871414867 QOUZEMAPAXSGIE-YOBACFSGSA-N 433.891 5.671 30 10 IKEE CCOc1ccccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1cccs1)C2=O 1871418485 WMOLGMGKGCWNPX-BKUYFWCQSA-N 435.501 5.089 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc5ccccc5c4)ccc3C2=O)c1 1871419188 CTSSNIWKXBOBTQ-WGARJPEWSA-N 435.479 5.782 30 10 IKEE CC(C)CCOC(=O)CCOc1ccc2c(c1)O/C(=C\c1cn(C)c3ccccc13)C2=O 1871429250 NKXKJBQGHZMNCS-OYKKKHCWSA-N 433.504 5.153 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)NCc4ccccc4Cl)cc(C)c3C2=O)cc1 1871445805 OJIXEZUBQZVVSK-FMCGGJTJSA-N 447.918 5.268 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3cccc4ccccc34)ccc2C1=O 1871452879 UTCYJVMLCOXJDU-YSMPRRRNSA-N 435.479 5.782 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(F)cc2)ccc2c1O/C(=C\c1ccc(Cl)cc1)C2=O 1871456685 QQIZJZNJUWRTRT-MTJSOVHGSA-N 437.854 5.421 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)c1 1871460635 XAKVSIFDYPCUPV-FMCGGJTJSA-N 433.891 5.591 30 10 IKEE CCCCCCCCN=c1nc(N(C)Cc2ccccc2)[nH]c(=Nc2cccc(C)c2)[nH]1 1871650474 ZYYSUSHZPKRECS-UHFFFAOYSA-N 432.616 5.176 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(C(C)C)cc1)c1ccccc1)S(=O)(=O)CCC 1871843695 JLSSFDXZQPUMJO-QHCPKHFHSA-N 428.598 5.108 30 10 IKEE CC(C)c1ccc(O[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 1872772824 IAZZGENWLOHHJY-WZONZLPQSA-N 446.616 6.875 30 10 IKEE Cc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1C 1872785529 PAEPVXYQMQDXHX-QFIPXVFZSA-N 432.589 6.288 30 10 IKEE COc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1 1872786249 FYJZBIGXVDTWHB-MBNRZODZSA-N 438.936 5.679 30 10 IKEE Cc1nc(SCc2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2)c(C#N)c(C)c1C 1872895107 CHSBKAFRIVIXQC-UHFFFAOYSA-N 439.943 6.216 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC2CC2)=C(c2ccc(-n3cccc3)cc2)C1=O 1873035515 YKNWXKMOLOYCTE-UHFFFAOYSA-N 433.596 5.450 30 10 IKEE CCCCCCCCNC1=C(c2ccc(OC)cc2)C(=O)N([C@H]2CCCC[C@@H]2C)C1=O 1873143121 WENJIQMESKBMLY-UGKGYDQZSA-N 426.601 5.304 30 10 IKEE C=C(C)Cn1c(-c2ccc(OCC(=O)N(CCC)CCC)c(OC)c2)nc2ccccc21 1873521246 ICGXTXRQMFHBIB-UHFFFAOYSA-N 435.568 5.315 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C(C)(C)C)cc2)cc2c(N3CCCCCC3)ncnc21 1873655693 REIQVKZLNSOZDG-UHFFFAOYSA-N 431.584 5.548 30 10 IKEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3cccc(OC(C)C)c3)c(=O)oc2c1 1873926525 KHWGHXONMUMVGB-UHFFFAOYSA-N 435.520 5.415 30 10 IKEE CCCCCCCCCCNC(=O)c1cnn(-c2cc(F)cc(F)c2)c1-n1cccc1 1873936576 JEEBCSJTWFKFEO-UHFFFAOYSA-N 428.527 5.812 30 10 IKEE CCSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1cccc(OC)c1 1874204804 UVXYSFTWVNGQOC-SSDVNMTOSA-N 437.352 5.167 30 10 IKEE C(=N/n1c(CCc2cccc3ccccc23)nnc1SCc1ccccc1)\c1ccncc1 1874231798 BGEUEUSQVRMKES-VUTHCHCSSA-N 449.583 5.786 30 10 IKEE C=CCSc1nnc(Cc2ccc(OC)c(OC)c2)n1/N=C/c1cccc2ccccc12 1874239171 SRPAPBZCIQRHKY-YZSQISJMSA-N 444.560 5.200 30 10 IKEE CCCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(OC)c(OC)c1 1874270227 LHFOEPSJVZNBGZ-YZSQISJMSA-N 446.576 5.424 30 10 IKEE CCCSc1nnc(Cc2ccc(OC)cc2)n1/N=C/c1ccc(Cl)cc1Cl 1874352144 UDFZUZKWVULHPQ-YDZHTSKRSA-N 435.380 5.569 30 10 IKEE Clc1ccccc1-c1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccco1 1874367467 DOPVZRVYIPTKIR-CVKSISIWSA-N 444.947 6.519 30 10 IKEE Cc1cccc(CSc2nnc(CCc3cccs3)n2/N=C/c2ccc(F)cc2)c1 1874370153 KJPMCUWSCIVBJC-MFKUBSTISA-N 436.581 5.747 30 10 IKEE Clc1ccc(/C=N/n2c(CCc3cccs3)nnc2SCc2ccccc2)cc1 1874371945 ZLSDGUQHLWKNNU-BUVRLJJBSA-N 439.009 5.953 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2ccccc2Cl)cc1 1874387580 UPHUWJWOJVRVIW-JVWAILMASA-N 447.007 6.314 30 10 IKEE Fc1cccc(CSc2nnc(Cc3cccs3)n2/N=C/c2ccccc2Cl)c1 1874411584 BIBVUBYOLOJBQP-ZMOGYAJESA-N 442.972 5.897 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2-c2cccs2)c(O)c1 1874422957 NCGSXBNFJJUJCU-SSDVNMTOSA-N 442.953 5.246 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2)n1/N=C/c1cc(Br)ccc1F 1874428101 RRLOXHVDCVHGHJ-SSDVNMTOSA-N 431.334 5.397 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(C(C)C)n1/N=C/c1cccc(Cl)c1 1874510543 SQEBMWKGUWAQPS-ZMOGYAJESA-N 441.988 5.230 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)N[C@@H](C)c2ccccc2)cc1 1874572216 BPDFGHJZKLGAGJ-PCYKQNFTSA-N 443.543 5.410 30 10 IKEE COc1cccc(/C=C/C(=O)c2cccc(Cl)c2)c1OCC(=O)Nc1ccc(C)c(C)c1 1874577253 FHUIUPFGDRXATM-ACCUITESSA-N 449.934 5.879 30 10 IKEE CCOC(=O)c1ccc(COc2c(/C=C/C(=O)c3ccc(F)c(F)c3)cccc2OC)o1 1874585600 ZNAIVKZIGAZTMX-DHZHZOJOSA-N 442.414 5.218 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2C)cc1C 1874587712 ADRPYPOIXRVSJR-ZRDIBKRKSA-N 433.935 6.179 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2cc(C)ccc2C)cc1Cl 1874590633 FWFWIOXNTMDCGG-ZRDIBKRKSA-N 449.934 5.879 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1OCc1cccc(C)c1 1874593414 IZOODATZKOLISF-UXBLZVDNSA-N 427.327 6.786 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OCC(=O)Nc1ccc(C)cc1C 1874596685 YIJYWKTUPDQXFH-MDWZMJQESA-N 429.516 5.534 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1OCc1cc(C)ccc1C 1874599328 HSKZMOJGXVVNME-PKNBQFBNSA-N 430.544 6.413 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1OCc1ccccc1Cl 1874599488 OTNOVHRVQGUKPE-PKNBQFBNSA-N 436.935 6.449 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 1874601796 DNNVPOOBQXIGJH-UXBLZVDNSA-N 438.823 5.632 30 10 IKEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1Cl 1874605944 NIMQPLJCRLZFPH-WEVVVXLNSA-N 440.754 5.790 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OC 1874608294 GUMTWLOVZRRONG-WYMLVPIESA-N 449.934 5.825 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)c2)cc1 1874701076 AEMAZZDMPPGYOC-VGWBUJCLSA-N 446.930 6.344 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OC(=O)Cc1ccc(F)cc1F 1874704051 UWWZQLOJFUSZGK-YCRREMRBSA-N 440.417 5.465 30 10 IKEE COc1cccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)c2)c1 1874710907 METWVJGNNAOCFF-OUKQBFOZSA-N 444.527 5.809 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(Cl)cc3)c(Cl)c2)cc1 1875100166 RCKSKRBKSJMKAS-NTUHNPAUSA-N 439.338 6.600 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(OCC)c(OC(=O)C3CC3)c([N+](=O)[O-])c2)cc1 1875106637 YBEMGCIMTOZQLX-NTEUORMPSA-N 437.492 5.548 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)CCCCCC 1875125351 DTGWWMYBPVAVBN-LFIBNONCSA-N 440.967 6.849 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)c3ccccc3)c([N+](=O)[O-])c2)cc1 1875129953 BKQXGYLGGDHGAW-IKFRKZOMSA-N 445.471 5.599 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2cccc3ccccc23)cc1 1875143787 QNOXVUKCVJMMHS-DTQAZKPQSA-N 436.507 6.201 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 1875149087 XSQLKEUSHUSECF-VCHYOVAHSA-N 442.555 6.427 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1)c1ccc(F)cc1 1875159354 ABZWEMLROVQVOC-LREOWRDNSA-N 449.478 5.752 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)cc2Cl)cc1 1875168687 PVKRUQHDEZZIFN-ZRDIBKRKSA-N 446.974 6.926 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(Cl)c3)cc2)cc1 1875187173 NUZLVHQZVALOIK-NTUHNPAUSA-N 436.891 5.401 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)CC3CCCCC3)c(OC)c2)cc1C 1875189963 NBDYPZKJOXHMFK-ZRDIBKRKSA-N 436.548 6.093 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1cc(F)cc(NC(=O)OC(C)(C)C)c1 1922073937 IXLDJBNVLCTWPN-QHCPKHFHSA-N 428.548 5.986 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](CNC(=O)OC(C)(C)C)C1CCCCC1 1922126341 TVHHURQAHLHHSN-JWQCQUIFSA-N 444.660 5.849 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)c1 1945525565 PLCWJCMLDLDPRM-MISYRCLQSA-N 429.561 5.274 30 10 IKEE CCCCCCCCCC[C@H](N)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1947480552 DOIQOOGZABIQSK-BJKOFHAPSA-N 434.665 6.345 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CCC[C@]2(C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)C1 2032060378 NWVBMABXNWCIIY-DMJCMNNJSA-N 447.620 5.486 30 10 IKEE CCc1ccc([C@@H](n2nc(C(F)(F)F)c(/C=N/O)c2Br)C2(C)CC2)cc1 2079139603 YHOAXXWCKHACNU-GQLBNTDBSA-N 430.268 5.424 30 10 IKEE COc1ccc([C@H](n2nc(C3CCC3)c(C#N)c2I)C2(C)CC2)cc1 2080053235 SEBVHZMVVONLNT-SFHVURJKSA-N 447.320 5.025 30 10 IKEE CC(C)Oc1ccc([C@H](n2nc(C3CC3)c(C=NO)c2Br)C(C)(C)C)cc1 2080127955 XPVYVGACJWPLCL-IBGZPJMESA-N 434.378 5.754 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Cl)cc(Br)c1 2081555143 NCWGVVSBKCTJFX-IAGOWNOFSA-N 431.802 5.613 30 10 IKEE CCc1cc(Br)c([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)s1 2089741530 NQUQXGSZBMIDPW-KRWDZBQOSA-N 441.435 6.598 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Br)ccc1Cl)NCC 2110498348 PPUXHTALDCXQME-QZTJIDSGSA-N 445.829 5.483 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@](C)(C#N)C(F)(F)C(F)(F)F 2126067005 BOGXZFOFAVMUAC-AWEZNQCLSA-N 443.210 5.670 30 10 IKEE Cc1cccc(N[C@@H](C#N)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)c1 2134725551 KXLTZBRXKMUNQT-MHZLTWQESA-N 434.539 6.830 30 10 IKEE CN1[C@H]2CC[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c1ccccc1Br)CC2 2154186422 JMGLKAFSMVHYTM-CKJXQJPGSA-N 434.378 5.100 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CC12CCC(Nc1ccc(C#N)c(Br)c1)CC2 2158250692 LQQJVDQRBNFMRV-FQWCMUAHSA-N 434.378 5.206 30 10 IKEE CCC[C@@]1(CNc2ccc(C#N)cc2Br)CCCCN1C(=O)OC(C)(C)C 2162409358 GKASTQBYBVFKAB-NRFANRHFSA-N 436.394 5.693 30 10 IKEE Cc1ccc(NC(=O)OC(C)(C)C)c(C(=O)Nc2ccc(Br)c(C#N)c2)c1 2180954570 OBFCYVAURQQDPT-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1sc(C)c(C)c1Br 2229305709 AAINOLHXMAHDFQ-DOTOQJQBSA-N 445.467 6.028 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)nn1C(C)C 2232458381 KNRPUOVWKSLEEU-YJBOKZPZSA-N 443.430 5.127 30 10 IKEE C#CCCN(C(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCC1 2243940225 XUTMJELWVVCCLR-UHFFFAOYSA-N 444.575 5.100 30 10 IKEE CC(C)(C)OC(=O)NC1(CC(=O)CC#CC2CCCC2)CCN(Cc2ccccc2)CC1 2261161605 KKENHRHWLAVOED-UHFFFAOYSA-N 438.612 5.089 30 10 IKEE C[C@H](N(Cc1ccccc1)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(C)(C)C 2267656383 RQTQLKKPYRSQCI-IBGZPJMESA-N 436.405 5.455 30 10 IKEE CCOC(=O)C1=C(Nc2ccc(Cl)cc2Cl)SC(=Cc2ccc(O)cc2)C1=O 2293253050 KFYQNHNBVNUTEK-UHFFFAOYSA-N 436.316 5.243 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)C1(NC(=O)OC(C)(C)C)CCCC1 2296218438 DTTGLOAHFKOKGX-LJQANCHMSA-N 435.406 5.006 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC 2296287212 UEIMTBDGBASIAT-PWIZWCRZSA-N 437.422 5.108 30 10 IKEE CN[C@@H](C#Cc1cccc(Br)c1)c1cc(NC(=O)OC(C)(C)C)ccc1F 2296289908 WZKKYSHEQGUTST-IBGZPJMESA-N 433.321 5.247 30 10 IKEE COc1cc(Br)c(C(=O)C=Cc2c3ccccc3cc3ccccc23)cc1OC 2297616663 GPGGMJQDYZPYIF-UHFFFAOYSA-N 447.328 6.669 30 10 IKEE Oc1ccccc1C=NN=c1cc(-c2ccccc2)[nH]c(-c2ccc(Br)cc2)n1 2297707913 ZCAMFPAAPBLIEH-UHFFFAOYSA-N 445.320 5.147 30 10 IKEE Brc1ccc(C=NN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 2297708906 CGYDWJBWWXJJQS-UHFFFAOYSA-N 434.381 5.190 30 10 IKEE C[C@@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@]43C)[C@@H]1CCC2=NN=CC=Cc1ccc([N+](=O)[O-])cc1 2313652952 PZDUXRAQOKZFJJ-KDYAEJOPSA-N 447.623 7.468 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cccc(OCc2ccccc2)c1 2314455761 RKUMRRULOYVIBD-LOSJGSFVSA-N 438.612 6.166 30 10 IKEE O=C1C(=Cc2ccc(O)cc2)SC(=NN=Cc2ccc(Cl)cc2)N1Cc1ccco1 2314818831 MQYMPGSWNVOAJK-UHFFFAOYSA-N 437.908 5.145 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(C)n2N=Cc2c(Cl)cccc2Cl)cc1 2321106623 RXQPFUVKEPZWPD-UHFFFAOYSA-N 448.379 5.069 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc2cc[nH]c2c1 2321796631 ZYJUAAHFTGRNSV-UHFFFAOYSA-N 427.936 5.679 30 10 IKEE COc1ccc(OC)c(C=C2Oc3c(ccc(OCc4ccc([N+](=O)[O-])cc4)c3C)C2=O)c1 2321851337 TYGBFDKYZCOMHH-UHFFFAOYSA-N 447.443 5.116 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(Cl)cc2C=CC(=O)c2ccccc2Cl)cc1 2322436924 KMAIIINVGNLVRY-UHFFFAOYSA-N 440.326 6.215 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2ccccc2OCc2ccc(Cl)cc2)cc1Cl 2322880846 BRIGTSRZTUPQHD-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OC(=O)c4cccc(C)c4)c3C)C2=O)c1OC 2322880851 CUDKOFZMTISROG-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE CCCOC(=O)COc1ccc(Cl)cc1C=CC(=O)c1cc(C)c(Cl)cc1OC 2322926361 KLWCFICXZINATD-UHFFFAOYSA-N 437.319 5.539 30 10 IKEE Cc1c(OC(=O)C=Cc2ccc(F)cc2)ccc2c1OC(=Cc1ccc(C(C)C)cc1)C2=O 2323045808 SKNHPUCIWJZPOI-UHFFFAOYSA-N 442.486 6.493 30 10 IKEE COC(=O)c1ccc(COc2cc(C=CC(=O)c3ccc(Cl)cc3)ccc2OC)o1 2323126462 UODPPIVAJQTETA-UHFFFAOYSA-N 426.852 5.203 30 10 IKEE O=C(C=Cc1ccco1)Oc1ccc2c(c1)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2323160975 WDFJSIYAWKKZON-UHFFFAOYSA-N 434.447 6.182 30 10 IKEE Cc1c(OC(=O)C=Cc2ccco2)ccc2c1OC(=Cc1c(Cl)cccc1Cl)C2=O 2323168619 NCFORAWOZPTMNP-UHFFFAOYSA-N 441.266 6.130 30 10 IKEE Cc1c(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc2c1OC(=Cc1ccccc1)C2=O 2323283194 BCHGMCQYGOHUJZ-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE CCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)C=Cc1ccc(Cl)cc1Cl 2323341714 FDRSLCMSGOCBLT-FQEVSTJZSA-N 425.400 5.474 30 10 IKEE CCCOc1c(Cl)cc(C=Nn2c(S)nnc2CCc2ccccc2)cc1Cl 2323510842 SEGGJSWASRJNOR-UHFFFAOYSA-N 435.380 5.330 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C)cc2)C3=O)cc1 2323627643 CVLLTNKXOHYFIE-UHFFFAOYSA-N 428.440 5.064 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(C(C)C)cc2)C3=O)c1 2323802693 AVNQZBSTQCPWGI-UHFFFAOYSA-N 442.511 6.353 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OC(=O)c4cccc(OC(C)C)c4)c3C)C2=O)cc1 2323812591 HRGWXQMNJLCFHU-UHFFFAOYSA-N 442.511 6.180 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cc(C)ccc3C)c(Cl)c2)c(C)c1 2323854740 UXGBVLDXIUIVHF-UHFFFAOYSA-N 447.962 6.487 30 10 IKEE CCOc1ccc(C=NNc2nc(-c3cccc(OC)c3)cs2)cc1Br 2323865116 JEPZYUUUCWGYOI-UHFFFAOYSA-N 432.343 5.426 30 10 IKEE COc1ccc(C=C2Oc3c(CN4CCCc5ccccc54)c(O)cc(C)c3C2=O)cc1 2324023850 VQUCEULGYGJGCI-UHFFFAOYSA-N 427.500 5.278 30 10 IKEE Cc1cccc(COc2ccc(C=CC(=O)c3ccc4c(c3)OCCO4)cc2[N+](=O)[O-])c1 2324041643 UYWNYTBATMZWLY-UHFFFAOYSA-N 431.444 5.150 30 10 IKEE CCOc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccccc4C)ccc3C2=O)cc1 2324406194 MFHAYVPVNPVEIZ-GOSISDBHSA-N 443.499 5.416 30 10 IKEE CCOc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1 2324521350 MAMRSOMCWHHZGP-INIZCTEOSA-N 447.462 5.247 30 10 IKEE CC(C)c1ccc(C=C2Oc3cc(OCCOc4ccc(Cl)cc4)ccc3C2=O)cc1 2324665841 KXDKRFSWFMGYSK-UHFFFAOYSA-N 434.919 6.537 30 10 IKEE CCn1cc(C=C2Oc3cc(OCc4cc(C)c(C)cc4C)ccc3C2=O)c2ccccc21 2324765127 GJRBOXIKIUQUFD-UHFFFAOYSA-N 437.539 6.782 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2cccs2)C3=O)cc1 2325621788 QACOKMDOWAMOHE-MRXNPFEDSA-N 447.556 6.204 30 10 IKEE COc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)CCCC4)c2)cc1 2325702114 XNKPXOXZQXZPHJ-UHFFFAOYSA-N 442.511 5.455 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OC(=O)Cc1ccccc1[N+](=O)[O-] 2325735144 YKWNGXXCLONUCX-UHFFFAOYSA-N 445.471 5.264 30 10 IKEE Cc1cc(C)c(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2)C3=O)c(C)c1 2325736712 FCDIPQQLSUMWIL-UHFFFAOYSA-N 427.500 5.554 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cccc(OC(=O)C3(c4ccc5c(c4)OCO5)CC3)c2)c1 2325740999 UKXABTSAVOANLD-UHFFFAOYSA-N 440.495 5.565 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2OC)cc1OC(=O)[C@H](C)c1ccccc1 2325742863 DOUXBZNXLQTSMF-LJQANCHMSA-N 430.500 5.617 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2cccc(OC(=O)c3ccc(OC)cc3)c2)c1 2325758208 SPVNYUPAPZYDJU-UHFFFAOYSA-N 446.499 5.608 30 10 IKEE CSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1c[nH]c2ccccc12 2325911091 DOTSWXNJSFIKOQ-UHFFFAOYSA-N 432.336 5.249 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccc(O)c(Br)c1 2326380088 IBLPGOHJLWUNAA-UHFFFAOYSA-N 445.386 5.182 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccc(C(C)C)cc1 2326541087 OPQQOTONCKGKRX-UHFFFAOYSA-N 441.000 6.103 30 10 IKEE COc1ccc(C=Nn2c(C)nnc2SCc2ccc(Cl)cc2Cl)c(OC)c1 2326701669 AHILEEZPHUDCQM-UHFFFAOYSA-N 437.352 5.085 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3F)n2N=Cc2cc(C)ccc2O)c1 2329717377 BNKUVSTZVFACNT-UHFFFAOYSA-N 446.551 5.505 30 10 IKEE Cc1ccc(C=Nn2c(COc3ccccc3)nnc2SCc2ccccc2F)cc1 2329919107 UZEFQAFUDKTLOL-UHFFFAOYSA-N 432.524 5.479 30 10 IKEE Cc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2[C@@H](C)c2ccccc2)cc1 2330132064 HQCMIZPVWFJGPU-IBGZPJMESA-N 447.007 6.566 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2ccccc2)c1 2330645511 JEQFZWBHGQWBMR-UHFFFAOYSA-N 441.560 5.175 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)[C@H]1[C@@H]2CCC(F)(F)[C@@H]21 2330652601 NZSZCUJGBCOPRO-JJXSEGSLSA-N 427.289 5.374 30 10 IKEE O=[N+]([O-])c1cccc(C=Nn2c(SCCc3ccccc3)nnc2-c2ccccc2)c1 2330675248 YGTVYOYLGBKLHN-UHFFFAOYSA-N 429.505 5.070 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)CCCC4)cc2)c1 2330680202 ACBOAEJBSABTPL-UHFFFAOYSA-N 426.512 6.079 30 10 IKEE CC(C)(C)C(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1Br 2330684740 SZEQWXZFUYZKFW-UHFFFAOYSA-N 441.365 6.176 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)cc3)c(Br)c2)cc1 2330747781 IGUZIZTXOJGPRQ-UHFFFAOYSA-N 449.344 6.435 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)cc1C 2330855571 WSUVYWYSSCARAW-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(F)(F)F)n2N=Cc2ccc(F)cc2F)c1 2331138458 RVDIJHZFGRJVCK-UHFFFAOYSA-N 426.414 5.366 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2Cl)c(OC)c1 2331165594 FKAIYZKVCAWVCT-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)c3ccccc3)c(OCC)c2)cc1 2331208265 FSNKLSOXFSZJOT-FQEVSTJZSA-N 444.527 6.089 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccco3)n2N=Cc2ccccc2OC(C)C)c1 2331208275 HHVGJGSXPUZYQV-UHFFFAOYSA-N 446.576 6.117 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)c(F)c3)c(OC)c2)cc1 2331212597 ZZSZUMJASBIAMP-UHFFFAOYSA-N 438.426 5.487 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 2331411036 GXFWAPDXBHMQET-UHFFFAOYSA-N 442.555 6.427 30 10 IKEE Cc1ccc(C=Nn2c(CC(C)C)nnc2SCC(=O)Nc2cc(C)cc(C)c2)cc1 2331440444 URHHKSNCPIKOEG-UHFFFAOYSA-N 435.597 5.015 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)C1CCCC1 2331500222 MRMOEYFCAXGGKW-UHFFFAOYSA-N 440.967 6.854 30 10 IKEE CC(=O)Oc1c(Br)cc(C=CC(=O)c2ccc(F)cc2)cc1Br 2331521164 HZACMSPANPZSLO-UHFFFAOYSA-N 442.078 5.172 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1cc(C)cc(C)c1 2331566158 MPCFRVFIVACMSP-UHFFFAOYSA-N 436.454 6.096 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccs3)c([N+](=O)[O-])c2)c(C)c1C 2331618246 ZWUPLOQIGBGWMU-UHFFFAOYSA-N 437.473 5.397 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCc3ccccc3)nnc2C(C)C)cc1OC 2331698447 ZEMOGFLIHSIANB-UHFFFAOYSA-N 438.597 5.764 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)ccc1OC(=O)C(F)(F)F 2331752243 FLDUUEWSBVNGPY-UHFFFAOYSA-N 428.790 5.029 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)CCCSC 2331802557 UNDLCVIUVPFZMW-UHFFFAOYSA-N 440.605 6.246 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)CCSc2nnc(NN=C3CCCCCC3)[nH]2)cc1 20837732 MAFZKMDLDJHGLR-INIZCTEOSA-N 428.606 5.561 30 10 IKEE COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(N(C)C)cc2)c1 20881547 LXPLNOJEHXGKEE-MMTVBGGISA-N 439.559 5.741 30 10 IKEE CCC(C)(C)[C@H]1CCc2sc3ncnc(N/N=C\c4ccc(OC)c(OC)c4)c3c2C1 33097091 XTGBMTDYYFWIIP-LNLSZRECSA-N 438.597 5.696 30 10 IKEE C=Cc1ccc(COc2ccc3c(c2)O/C(=C/c2cc(OC)c(OC)cc2OC)C3=O)cc1 33438786 DYSUGTCDMNCRCS-LGJNPRDNSA-N 444.483 5.551 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3cc(OCC(=O)c4ccc(Cl)cc4)ccc3C2=O)cc1 39754337 XHCMGQOFINEYHP-MXAYSNPKSA-N 432.903 6.341 30 10 IKEE Cc1cc2c(n1-c1ccccc1)CC(C)(C)C/C2=N\OC(=O)c1cc2ccccc2oc1=O 39853073 SNNATNWWRVZLSI-XAYXJRQQSA-N 440.499 5.426 30 10 IKEE CC[C@H](Sc1nnc2cc(C)c3cccc(C)c3n12)C(=O)Nc1sc(C)c(C)c1C#N 40170475 VGNNJUWBUXBLGB-SFHVURJKSA-N 449.605 5.559 30 10 IKEE C=C(CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]1CC[C@H]1[C@H]2CC[C@H]2C(C)(C)C(=O)CC[C@]12C 87493062 DFILFAVPSDARMK-QFNXUBQCSA-N 444.700 6.319 30 10 IKEE Cc1ccc2nc(-c3ccc(NC(=O)CSCc4ccc(C#N)cc4)cc3)sc2c1 96582319 JVZGAWJPUXASPS-UHFFFAOYSA-N 429.570 6.015 30 10 IKEE CCCCCCCCn1c(CCCCCNC(=O)COc2ccccc2)nc2ccccc21 102174898 UPZJJFZGQJRZPI-UHFFFAOYSA-N 449.639 6.305 30 10 IKEE CCCCOc1ccc([C@H]2C=C[C@@H](c3ccc(OCCCC)cc3)[C@H](C#N)[C@@H]2C#N)cc1 144649713 QKLHVENVSYUZRM-KMKVIZFGSA-N 428.576 6.761 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccc(OC)cc2)cc1 169926564 MPCGBGHAFRFBJM-XMMPIXPASA-N 443.499 5.185 30 10 IKEE CCOc1ccc(/C=N\Nc2nc(-c3ccc(C)cc3C)cs2)cc1Br 169942605 OHQOZSZRDVSQHW-JJFYIABZSA-N 430.371 6.034 30 10 IKEE COc1ccc(-c2csc(N/N=C\c3ccccc3OCc3ccc(C)cc3)n2)cc1 169942750 QVTOQKMNNOBIHB-YSMPRRRNSA-N 429.545 6.152 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2cccc(Cl)c2)c1 169970104 PVKKFTUHGQFZRC-QHCPKHFHSA-N 431.919 6.048 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(Cl)cc2)c1 170057433 FSNOSXISPBDVGD-QFIPXVFZSA-N 435.882 5.879 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1)c1cc2ccccc2o1 170062820 AGVIDXQSKKQNME-JOCHJYFZSA-N 447.849 6.008 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2cccc(O)c2)cc1 170080719 WAMRRKZTPAUJRY-DEOSSOPVSA-N 443.499 5.191 30 10 IKEE Cc1ccc(C2=C(Sc3ccc(Cl)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)c(C)c1 170097953 QOBCJXZRTODPPW-UHFFFAOYSA-N 444.943 5.905 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(C)o2)c1 170099550 HAFAXXIBQKAEOK-HSZRJFAPSA-N 443.455 5.516 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2cccs2)cc1C(C)C 170162805 GRGJTOBXUDNDIP-JOCHJYFZSA-N 448.544 5.054 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccncc1)c1cc2cc(Cl)ccc2o1 170209504 AXZTYKQZPKMEMF-OAQYLSRUSA-N 436.895 5.392 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCC)cc1 170216101 TUUVXCVSOPSEBJ-HSZRJFAPSA-N 437.536 5.253 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2OC)[C@@H]1c1ccc(Cl)cc1 170236756 OTTGFRJUDWIRHB-NRFANRHFSA-N 427.928 5.426 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccc(F)cc2)c(C)c1 170238785 DFEHCJOIFFQLPB-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1ccc(CC)cc1 170268413 VLJGEKHBPPXLHB-HSZRJFAPSA-N 447.531 5.772 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2C2CCCC2)cc1 170268733 PTEPHXBMECMXEE-HSZRJFAPSA-N 445.515 5.525 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccco2)c1 170282221 OOMRFLVIKFLUNZ-FQEVSTJZSA-N 441.842 5.254 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(OCC(C)C)cc2)c1 170344763 SJXUHRLUJGSUIN-XMMPIXPASA-N 442.515 5.208 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)[C@@H]1c1ccccc1F)c1ccco1 170382527 BPKWZRYASXHUJS-GOSISDBHSA-N 431.341 5.220 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2c(C)[nH]c3ccccc23)cc1 170403842 RNQGHOVPDQXQPH-DEOSSOPVSA-N 438.483 5.268 30 10 IKEE N#C[C@@H](Nc1cccc(Br)c1)c1ccc(Br)c(Br)c1 232455510 BPMOWVREIHRKKU-CQSZACIVSA-N 444.952 5.651 30 10 IKEE Cc1cc(C)cc(NS(=O)(=O)c2ccc(N=Cc3cc(Cl)cc(Cl)c3O)cc2)c1 252459951 AJVJHUVQPOKQCP-UHFFFAOYSA-N 449.359 5.867 30 10 IKEE COc1cccc(-c2nc3cc(N=Cc4ccc(OCc5ccccc5)cc4)ccc3o2)c1 254439750 YGNUWVNSNHDXQG-UHFFFAOYSA-N 434.495 6.833 30 10 IKEE C(=Nc1ccccc1)C1=C(c2ccccc2)S[C@@H](c2ccccc2)C(Cc2ccccc2)=C1 254842095 YNKQRWKIVXESQW-PMERELPUSA-N 443.615 8.457 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(Cl)cc2)cc1OC 526489883 UDWNGNDPLQFEKO-HSZRJFAPSA-N 446.890 5.286 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1cccc(OCC)c1 526818115 RDRPCRMAHLKQHN-CFRMEGHHSA-N 432.952 5.596 30 10 IKEE N#Cc1cccc(CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 586134364 SBOZSWILLZQLNW-UHFFFAOYSA-N 445.371 5.299 30 10 IKEE C=C1CC[C@H](O)C/C1=C/C=C1/CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@H](C)/C=C\[C@@](C)(O)C(C)(C)O 606302920 BPEQZNMKGFTMQE-RSOMDMMISA-N 428.657 5.871 30 10 IKEE C=C(C)CC[C@@H](NCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 708581506 CSMLGMPWCDZNPZ-RTBURBONSA-N 425.411 5.219 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@H](C#N)c1cccc(OCc2ccccc2)c1 710768465 REMPMFWMDTUEEL-XMMPIXPASA-N 448.950 6.925 30 10 IKEE COc1ccc(C2(C(=N)NOC(=O)Nc3cccc(C(F)(F)F)c3)CCCCC2)cc1 1088675711 BHLTZTALRSZOMN-UHFFFAOYSA-N 435.446 5.646 30 10 IKEE O=C(ON(Cc1ccccc1Cl)C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 1615216454 OQNHDITWDXNBAA-UHFFFAOYSA-N 434.706 6.061 30 10 IKEE CCOc1ccc(/C=C2/C[C@@](O)(C(F)(F)F)C/C(=C\c3ccc(OCC)cc3)C2=O)cc1 1615539757 VYWCULQYUXXSLQ-DEUXEYIPSA-N 446.465 5.607 30 10 IKEE COc1ccc(C)cc1NC(=O)c1oc2c(c1C)C(=NNc1ccccc1)CC(C)(C)C2 1772728532 MHNVNVZSVFRFJB-UHFFFAOYSA-N 431.536 5.946 30 10 IKEE Cc1c(N=Nc2cccc(C(F)(F)F)c2)c(O)n(CCc2ccccc2)c(=O)c1C#N 1772741339 HECMHKLLJYMRRE-UHFFFAOYSA-N 426.398 5.411 30 10 IKEE CO/N=C1\C[C@@H]2[C@H](CC[C@]3(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]23)[C@@]2(C)CC[C@H](O)C[C@@H]12 1848439896 UGTRJIWOVLGRJU-LDEGRLMDSA-N 431.705 7.081 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 1861125203 LIVCITFVXURODO-NBRGKURFSA-N 431.577 5.150 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)/C=C/c1ccc(Cl)c(Cl)c1 1861571609 ZDMPYAYYBVPNRF-UACNQURRSA-N 441.443 6.158 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)COc1ccc(Cl)c(C)c1 1861642251 AOBJWLXTHTTYKN-QFIPXVFZSA-N 437.024 5.275 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2ccccc2)cc1 1862390017 TVALLHYTEJHJER-SANMLTNESA-N 439.555 6.116 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2cccc(C)c2)cc1C 1862400420 DLYAWDBLRAEVHJ-RUZDIDTESA-N 447.575 6.003 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(F)cc2F)cc1C 1862403517 YDNPTUSPVDBHJX-QFIPXVFZSA-N 441.474 5.193 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@H]1c1cccc(O)c1)c1ccccc1Cl 1862430415 JXEBIYREUMKBAQ-QFIPXVFZSA-N 437.923 5.514 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccccn2)cc1 1862445134 PJYCBNRTVXBILS-JOCHJYFZSA-N 432.907 5.076 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2Cc2ccccc2)c1 1862456675 XKMOTANUOAQZAX-QFIPXVFZSA-N 437.417 5.191 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OCc2ccc(C)cc2)cc1 1862486055 SOSRHXOOVYFYDX-VWLOTQADSA-N 441.527 5.481 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2cccc(F)c2)ccc1F 1862501612 GPFQHFDLBLXMSK-HSZRJFAPSA-N 437.486 5.742 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2cccc(OC)c2)cc1 1862529966 LTAXQAIFVJGFNR-HSZRJFAPSA-N 447.556 5.140 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(N(C)C)cc2)cc1 1862532146 BELBJTJUHLDCCN-QHCPKHFHSA-N 446.572 5.155 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc2cc[nH]c2c1)c1cccc2ccccc12 1862651074 KQDKRZDPGAIBQN-RUZDIDTESA-N 448.478 5.693 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccc(O)cc2)cc1 1862713401 NWPJSTJNAGMFQJ-SANMLTNESA-N 449.506 5.632 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc2ccccc12 1862719185 IXQVBZAAGVDMMX-HHHXNRCGSA-N 449.550 6.762 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccccc1C 1862721648 HOUILJSOJAREQZ-RUZDIDTESA-N 425.528 6.040 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 1862746820 JSWUKTLFGHHEIQ-JOCHJYFZSA-N 434.492 5.286 30 10 IKEE Cc1ccc(NC2=C(c3ccc(OC(C)C)cc3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862991946 OCIGPFFCSJJQLB-UHFFFAOYSA-N 437.499 5.051 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(C)cc(C)c2)=C(c2cc(C)ccc2C)C1=O 1863393476 YJHKDLPBUFKHQN-UHFFFAOYSA-N 432.608 6.473 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccccc2C#N)=C(c2cccs2)C1=O 1863485894 OYHFPOYZRMZIPL-UHFFFAOYSA-N 435.593 5.952 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N[C@H](CC(=O)O)c1ccccc1 1866029666 AJHZHUXJHFNNGR-RUZDIDTESA-N 431.661 7.580 30 10 IKEE CC(C)[C@@H](CC(=O)N[C@H](C(=O)Nc1ccc(C#N)cc1)c1ccccc1)c1ccc(F)cc1 1866749754 YEOCBKRITZZTCS-RSXGOPAZSA-N 443.522 5.323 30 10 IKEE CC[C@@H]1Cc2cc(OC)ccc2N(c2cc(Nc3ccccc3C#N)nc(C(C)(C)C)n2)C1 1868350596 LLLPMKZWXITIDY-GOSISDBHSA-N 441.579 6.118 30 10 IKEE CCCc1nc(Nc2ccccc2C#N)cc(N2CCO[C@H](c3ccc(CC)cc3)C2)n1 1868398996 WZGHMFSWKZJNRU-QHCPKHFHSA-N 427.552 5.185 30 10 IKEE C=CCN(CC=C)c1cc(N2C[C@H](C)Cc3cc(OC)ccc32)nc(-c2ccccc2C)n1 1869148163 ISWXIAZGJUJJMZ-HXUWFJFHSA-N 440.591 5.969 30 10 IKEE CC(C)c1cc(C(C)C)cc(-n2nnc(C#N)c2NC(=O)c2ccc(-c3ccccc3)cc2)c1 1870139246 GWCONBMLIXZOQQ-UHFFFAOYSA-N 449.558 6.305 30 10 IKEE CC(C)c1ccc(-n2nnc(C#N)c2NC(=O)c2c(Cl)ccc(Cl)c2Cl)cc1 1870154512 VWVUOQGKEYUQQP-UHFFFAOYSA-N 434.714 5.475 30 10 IKEE CCCCCCCOc1cn(Cc2ccco2)c(CN(CCCC)CCCC)cc1=O 1870411609 HFSIUKPKZZCLLJ-UHFFFAOYSA-N 430.633 6.241 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OC(C)C)c(=O)cc1CN(CC)CCCC 1870478138 PVVQEZHRILPDTQ-UHFFFAOYSA-N 436.637 5.161 30 10 IKEE CCCCCCCOc1cn(CC(C)C)c(CNc2ccc(C(F)(F)F)cc2)cc1=O 1870831579 GATIPJKRLZORGC-UHFFFAOYSA-N 438.534 6.484 30 10 IKEE CCCCCCCOc1cn(Cc2cccc(C)c2)c(CNc2ccc(F)cc2)cc1=O 1870836544 ZQPVPXLCSFMSLZ-UHFFFAOYSA-N 436.571 6.305 30 10 IKEE C=CCn1cc(OCCCOc2ccc(C)cc2)c(=O)cc1CNc1ccc(CC)cc1 1871215957 AWIIVPTZUVCGTJ-UHFFFAOYSA-N 432.564 5.365 30 10 IKEE CCCCN1COc2c(cc3c(c2C)O/C(=C\c2cccc(Br)c2)C3=O)C1 1871352396 GLMKXIQTFZDAIE-GRSHGNNSSA-N 428.326 5.326 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871411747 QRSOPNLBQPVFLU-LIAPLOTISA-N 441.527 5.888 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCc4cc(C)c(C)cc4C)ccc3C2=O)c(OC)c1 1871417132 DFWCOWVHDKNEMK-ZRGSRPPYSA-N 430.500 5.824 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OCCOc4ccccc4F)ccc3C2=O)cc1 1871417383 RANYLVKPSFJOPZ-ONUIUJJFSA-N 447.506 5.746 30 10 IKEE CC(=O)c1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871422432 KOWKSASLMTVAQG-FMCGGJTJSA-N 447.874 5.176 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccc(N(C)C)cc2)C3=O)cc1 1871454312 IZHMTELLEFHJON-IWIPYMOSSA-N 442.515 5.003 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccccc1CC)S(=O)(=O)c1cccs1 1872475995 XVRNGSNKGOXOPK-HXUWFJFHSA-N 434.627 5.075 30 10 IKEE N#C[C@H](C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc3ccccc3c2)cs1 1872760717 WNMACPZGGPGLQC-JYNAJPCDSA-N 425.469 5.761 30 10 IKEE CCc1ccc(-c2csc([C@H](C#N)C(=O)c3c(Cl)ccc(Cl)c3OC)n2)cc1 1872761482 OEGOREVMDJNFGH-CQSZACIVSA-N 431.344 6.178 30 10 IKEE CCCCCCCCCCNC(=O)c1cccc(COc2cccc(C(F)(F)F)c2)c1 1872842116 UGWUWPNMIWHDEZ-UHFFFAOYSA-N 435.530 7.155 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(NC(C)=O)c2)=C(c2ccccc2C)C1=O 1873305788 VJNNJCNJVHAGGV-UHFFFAOYSA-N 447.579 5.506 30 10 IKEE C=CCN1C(=O)C(Nc2cc(Cl)c(Cl)cc2Cl)=C(c2ccc(OC)cc2)C1=O 1873370817 ODICETXZEWTBMH-UHFFFAOYSA-N 437.710 5.033 30 10 IKEE CCCCc1nnc(S)n1/N=C/c1ccc(OC)c(OCc2cccc(Cl)c2)c1 1873499217 KGYGERSEIVVJCY-YDZHTSKRSA-N 430.961 5.033 30 10 IKEE CCCCCCCCNC(=O)c1cc2c(N(CCCC)CCCC)ncnc2n1CCC 1873571953 MEKSALVLEGTANU-UHFFFAOYSA-N 443.680 6.338 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(Br)c(C)c1)n2CC(C)C 1873612803 LULWTLSJRKQVEY-UHFFFAOYSA-N 442.361 5.008 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(CCCC)cc1)n2CC=C 1873657128 ZAPKRGIFGZWRRA-UHFFFAOYSA-N 429.568 5.391 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C(C)(C)C)cc2)cc2c(N(CCC)CCCC)ncnc21 1873659261 JAIYBJNYLLJVAY-UHFFFAOYSA-N 447.627 6.184 30 10 IKEE N#Cc1ccccc1NC(=O)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 1873868988 ZLEQOGIKVQMIGW-VWLOTQADSA-N 435.527 5.644 30 10 IKEE CCCCCCCCNC(=O)CC1(CNS(=O)(=O)c2ccc(C)cc2)CCCCC1 1873891629 IIEOQYIWDNHNNK-UHFFFAOYSA-N 436.662 5.091 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCC=C)n1/N=C/c1c[nH]c2ccccc12 1874228615 SIDRBFRDNMVOKY-WGOQTCKBSA-N 445.548 5.064 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1cccc(C)c1 1874231896 HPYCLDXIUOKADE-WPWMEQJKSA-N 426.589 6.075 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1ccccc1Cl 1874254199 WBXUTPJCCFKQKA-LFVJCYFKSA-N 426.973 5.412 30 10 IKEE CCSc1nnc(COc2c(C)cccc2C)n1/N=C/c1ccc(Cl)cc1Cl 1874299787 SHVRKOLMHYRFKM-FOKLQQMPSA-N 435.380 5.775 30 10 IKEE Fc1cccc(/C=N/n2c(Cc3ccccc3F)nnc2SCc2cccc(F)c2)c1 1874374689 IXVGUXQTZNUTIF-MZJWZYIUSA-N 438.478 5.461 30 10 IKEE Oc1ccccc1/C=N/n1c(Cc2ccccc2F)nnc1SCc1cccc(F)c1 1874374839 PTMHFQKPGOAMLS-VULFUBBASA-N 436.487 5.027 30 10 IKEE CCc1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SCc2cccc(C)c2)cc1 1874374978 XUESCRFCFYVSFL-OGLMXYFKSA-N 444.579 6.053 30 10 IKEE Cc1ccccc1CSc1nnc(COc2ccccc2)n1/N=C/c1ccccc1Cl 1874382930 PTRQKCCYBDDPGQ-CVKSISIWSA-N 448.979 5.993 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2ccc(C(=O)O)cc2)cc1 1874389563 SKQADNFUAWUQMG-WGOQTCKBSA-N 442.544 5.050 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC3CCCCC3)n2/N=C/c2cccc(O)c2)c1 1874408494 ZWOIPWWIPOETFS-WGOQTCKBSA-N 434.609 5.898 30 10 IKEE Cc1cccc(CSc2nnc(-c3cccs3)n2/N=C/c2ccc(C(C)(C)C)cc2)c1 1874422024 PVVKXZDFMJBDEF-WGOQTCKBSA-N 446.645 6.787 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2cccc3ccccc23)nnc1[C@@H]1CCCO1 1874450313 YRQNIMQCZJNYOK-LRULAXNGSA-N 428.561 5.766 30 10 IKEE Cc1ccc(/C=N/n2c(SCC(=O)N[C@H](C)c3ccccc3)nnc2C2CCCC2)cc1 1874457169 DORTVWUCVBEXQQ-DZTFFZQKSA-N 447.608 5.096 30 10 IKEE CCOc1c(/C=N/n2c(SCc3cccc(F)c3)nnc2C(C)(C)C)cccc1OC 1874482534 FGUQZAQQLGWEAL-AFUMVMLFSA-N 442.560 5.297 30 10 IKEE Brc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2C2CC2)cc1 1874519784 LOCFJSUYJCMCAP-HYARGMPZSA-N 427.371 5.135 30 10 IKEE COc1cc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CC2)ccc1O 1874520974 UHJXXXANYTZRLR-AFUMVMLFSA-N 430.533 5.197 30 10 IKEE Cc1ccccc1CSc1nnc(C)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874528579 QSQDZZMIPUBGLZ-WGOQTCKBSA-N 442.544 5.289 30 10 IKEE CCOc1cc(/C=N/n2c(S)nnc2CC(C)(C)C)ccc1OCc1ccccc1C 1874560486 ZPHYHSYMSUHKSE-MFKUBSTISA-N 438.597 5.324 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2c(C)cccc2C)cc1C 1874573912 LMAXXYARFBRACY-WYMLVPIESA-N 429.516 5.534 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1 1874581396 LRBHYLQUKNIMOD-VQHVLOKHSA-N 427.327 6.786 30 10 IKEE CCCOc1c(/C=C/C(=O)c2ccc(OC)cc2OC)cc(Br)cc1OC 1874588226 WVMRKVXNHLKHRL-RMKNXTFCSA-N 435.314 5.160 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1OCc1ccc(F)cc1 1874593508 MUBJDOSUTBZTSP-ONNFQVAWSA-N 431.290 6.616 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3c(C)cccc3C)c2)c(C)c1C 1874598622 WBWHUAULDDCIJN-WYMLVPIESA-N 443.543 5.842 30 10 IKEE CCCN(CCC)C(=O)COc1cccc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)c1 1874600263 CKTPGYODXNCTPM-ZHACJKMWSA-N 443.971 5.581 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OCc1cccc(Cl)c1 1874623314 XDQAJVMCUWSBSC-FYWRMAATSA-N 442.942 7.367 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OCCc1ccccc1 1874630604 KNXYPLGAWDMEIZ-ACCUITESSA-N 430.544 6.228 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OC(=O)CCc1ccc(Cl)cc1 1874701590 ZXIWBDVZARADDR-NTUHNPAUSA-N 448.946 6.400 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OC(=O)Cc1ccc(F)cc1F 1874703345 LJLAPIASURPJSZ-UXBLZVDNSA-N 436.454 5.634 30 10 IKEE CCOc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3c(C)cc(C)cc3C)c2)cc1 1874716233 ITZNZKGZSGYPSU-NTEUORMPSA-N 444.527 5.891 30 10 IKEE CCCCCCCCC(=O)Oc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC 1874716522 WJJPHWXSYQPVJT-FYWRMAATSA-N 436.592 7.173 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(Br)c1OC(C)=O 1875095957 PMXDHHIYBDANPD-DHZHZOJOSA-N 439.305 5.822 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3Cl)cc2)cc1 1875111870 RIOFQHAXHPKBCB-SFQUDFHCSA-N 434.919 6.309 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OC(=O)c1sccc1C 1875112040 RWWNNUITZULYOL-CSKARUKUSA-N 426.921 6.224 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)cc3)cc2Cl)cc1 1875113913 FEPTZEHOGLMRLJ-LNKIKWGQSA-N 436.891 5.863 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)c1ccccc1 1875124897 HORRIPXVFSCBKT-DHZHZOJOSA-N 442.845 6.132 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)Cc1ccc(C)c(C)c1 1875134468 TULDNPFHNCRCPK-FMIVXFBMSA-N 428.528 5.973 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)CC3CCCCC3)c([N+](=O)[O-])c2)cc1 1875148379 MGMQTCFLBOFJJJ-OQLLNIDSSA-N 449.547 6.664 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 1875148909 OBNJSVKVWHLYBR-UFWORHAWSA-N 428.528 6.498 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc(Cl)ccc3OC)cc2)cc1F 1875152010 DKDVFLJUSUWTEK-BJMVGYQFSA-N 440.854 5.612 30 10 IKEE COc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1 1875155827 BXWUMSIEMVGJRA-LICLKQGHSA-N 430.500 5.699 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1875184878 VTFYCABKGZUJGR-LZYBPNLTSA-N 443.499 6.316 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccn3)c(Cl)c2)cc1Cl 1875188882 NWUWFULIZXYEAD-VMPITWQZSA-N 428.271 5.512 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCOC[C@@H]1C(F)(F)F 1916555611 VAJNBDCLCCJFOC-YOEHRIQHSA-N 449.267 5.052 30 10 IKEE C=C(COCc1ccccc1)C(=O)[C@H](O)c1ccc(-c2cccc(Br)c2)s1 1922101818 ZKXGLOOLEFSBMF-JOCHJYFZSA-N 443.362 5.553 30 10 IKEE CCC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1938168502 QXSJFTSIIRDLMM-SJLPKXTDSA-N 437.606 5.318 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1945530084 ZAXJINFNUXBOQM-ATZDWAIDSA-N 449.979 5.619 30 10 IKEE C#Cc1cccc([C@@H](CCC(=O)O)CNC(=O)OCC2c3ccccc3-c3ccccc32)c1 1952246688 XCZCLOKEZLBZOG-NRFANRHFSA-N 439.511 5.155 30 10 IKEE CC[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(C)c1 2014649573 ZBZOKRBMIOFJBF-CYFREDJKSA-N 429.561 5.418 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@H](C#N)[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2017953984 FBLXRTYMBADOHW-IEBWSBKVSA-N 429.561 5.356 30 10 IKEE CC(C)(C)OC(=O)NC1CCC([C@](C)(C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)CC1 2027941608 SMMBFUQSBZTXOD-BRVOVERQSA-N 449.636 5.922 30 10 IKEE CC(C)(C)OC(=O)Nc1ccccc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2031833098 YMUAYGXWKCLCBZ-FQEVSTJZSA-N 441.503 6.179 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2033847260 PCECMSGWOXOVFD-JBNMYPGFSA-N 431.580 5.826 30 10 IKEE O=C(/C=C/c1ccc(-c2ccc(Br)cc2Br)o1)c1ccccc1 2060405726 CGUWKGCEPDDHRP-JXMROGBWSA-N 432.111 6.368 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C2(CC2)C1 2065974039 UEHCVSBALVFZRV-DEOSSOPVSA-N 445.535 5.251 30 10 IKEE CCOC(=O)c1c(C(C)C)nn(Cc2cc(C(F)(F)F)ccc2F)c1C(F)(F)F 2079093734 ORTUOSINXLOPNS-UHFFFAOYSA-N 426.332 5.408 30 10 IKEE C[C@@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)(F)F)c(C=O)c1Br 2079957790 QTQRRNDPFNJWKG-LURJTMIESA-N 433.121 5.244 30 10 IKEE O=C(O)c1c(C(F)(F)F)nn([C@@H](c2ccc(C(F)(F)F)cc2F)C2CC2)c1Cl 2079970909 ZBLRTIYPJIWUPA-LLVKDONJSA-N 430.707 5.411 30 10 IKEE CC(C)(C)[C@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)(F)F)c(C(N)=O)c1Cl 2079978152 WNNFIGNBQGVFFN-LBPRGKRZSA-N 445.766 5.448 30 10 IKEE CC(C)Oc1ccc([C@@H](n2nc(C(C)C)c(C=NO)c2Br)C(C)(C)C)cc1 2080118156 PLAPBWXIMPMYCK-LJQANCHMSA-N 436.394 6.000 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2sc(C)cc2Br)c1 2089743413 KTDONYQTYKKURM-INIZCTEOSA-N 437.359 5.834 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Nc2ccc(C#N)c(Br)c2F)c(Cl)c1 2106103383 DZYVEEABCYZEPT-UHFFFAOYSA-N 440.700 6.204 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)C[C@H]2CC(F)(F)C[C@H]2C1 2160230396 MYBFGHRJRLBLTA-BDQBCWGISA-N 441.316 5.908 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](Nc2cccc(Br)c2C#N)Cc2ccccc21 2162387397 MQOKDLGCFUCTDE-OAHLLOKOSA-N 428.330 5.099 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@H](CSC(C)(C)C)NC(=O)OC(C)(C)C 2212713559 MLBMEJIWKXOKHM-LEWJYISDSA-N 436.662 5.163 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1CN(Cc2ccccc2)C(C)(C)C1 2235724340 LYVIJVXXJRDWHF-FYYLOGMGSA-N 425.414 5.079 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1CC[C@H](O)C#Cc1ccccc1Br 2235740173 NCTRUDYQEAMFDH-QWFCFKBJSA-N 436.390 5.025 30 10 IKEE C#CCCC[C@@H](NCCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237414383 XAPBJFMIKDSGKY-WOJBJXKFSA-N 437.422 5.057 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCC)c2ccc(Br)cc2CC)C1 2237538380 ACXAEEHWBFCMBM-IBGZPJMESA-N 437.422 5.523 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cccc(Cl)c1Br 2259399354 ZYRXBJXFWKVNPN-NVXWUHKLSA-N 431.802 5.613 30 10 IKEE CC(C)(C)OC(=O)NC1C[C@@H]2CCC[C@H](C1)C2(C#N)Nc1cccc(Br)c1 2285762510 PCTICRBKUZXSCX-CHLRHJHGSA-N 434.378 5.227 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@H](C#N)c1cc(Cl)c(O)c(Cl)c1 2296274008 RRMZZDIZEHTJBQ-MRXNPFEDSA-N 427.715 6.359 30 10 IKEE COc1cccc(C=C2Sc3ccccc3C2=O)c1OCc1ccc(Cl)cc1Cl 2297296970 BOLZBKPITIHMJR-UHFFFAOYSA-N 443.351 6.911 30 10 IKEE C=CCN1C(=O)C(=Cc2cccc(OCCCOc3cc(C)ccc3C)c2)SC1=S 2297624734 IUHFUTRHJDIBIU-UHFFFAOYSA-N 439.602 5.539 30 10 IKEE O[C@H](C#Cc1cccs1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2300845591 ZDZLULHNWJQPFS-RUZDIDTESA-N 426.537 5.991 30 10 IKEE C[C@@H]1[C@@H](C)[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)CCN1C(=O)OC(C)(C)C 2304201054 VNUPNNSFQLVEKO-QZTZHPFYSA-N 429.561 5.356 30 10 IKEE COc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(Cl)c(Cl)c2)C3=O)c1 2314437416 LWADKRGGUPZKDI-UHFFFAOYSA-N 441.266 5.837 30 10 IKEE CN1C(=O)C(=Cc2ccccc2OCc2ccc(Cl)cc2)SC1=Nc1nccs1 2314542435 LIZYYGSOIMDABG-UHFFFAOYSA-N 441.965 5.609 30 10 IKEE O=C1C(=Cc2c[nH]c3ccccc23)SC(=Nc2ccncc2Cl)N1C1CCCCC1 2314542913 QGTCFOITMUZGGB-UHFFFAOYSA-N 436.968 6.153 30 10 IKEE Cc1ccc(O)c(N=C2NC(=O)C(=Cc3ccc(-c4cc(Cl)ccc4Cl)o3)S2)c1 2314556898 BGLLWUXUVBUTGI-UHFFFAOYSA-N 445.327 6.159 30 10 IKEE CCCCCOc1ccc(C=Nn2c(C)nnc2SCCc2ccccc2)cc1OC 2321155251 DSRRTYJOHGFDTR-UHFFFAOYSA-N 438.597 5.381 30 10 IKEE Cc1cccc(CSc2nncn2N=Cc2ccccc2OCc2ccc(Cl)cc2)c1 2321250978 KSWYRSQOOJMPBG-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE Cc1c(OCc2ccc(F)cc2)ccc2c1OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2321802115 WSPDNRVGYIVABD-UHFFFAOYSA-N 429.274 6.636 30 10 IKEE Sc1nnc([C@H]2CCCO2)n1N=Cc1c(OCc2ccccc2)ccc2ccccc12 2321935496 RHFSPKRKDZRTKG-JOCHJYFZSA-N 430.533 5.033 30 10 IKEE CC[C@H](C)N1COc2cc(C)c3c(c2C1)OC(=Cc1cn(CC)c2ccc(OC)cc12)C3=O 2322092203 SENZENJXXQGELQ-KRWDZBQOSA-N 446.547 5.545 30 10 IKEE CC[C@H](C)N1COc2ccc3c(c2C1)OC(=Cc1cn(CC)c2ccc(OC)cc12)C3=O 2322092253 LNRUTZYDXDGIEN-INIZCTEOSA-N 432.520 5.236 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(Cl)cc1)C3=O)CN(CCCc1ccccc1)CO2 2322427175 GIHVMNNLSJWCCI-UHFFFAOYSA-N 445.946 6.049 30 10 IKEE Cc1cc(OC(=O)c2ccc3c(c2)OCO3)cc2c1C(=O)C(=Cc1ccc(C(C)C)cc1)O2 2322775653 KUPQQRRUPSBIEZ-UHFFFAOYSA-N 442.467 5.683 30 10 IKEE Cc1cccc(COc2ccc(Br)cc2C=CC(=O)c2ccc(F)c(F)c2)c1 2322779785 ILCGZPXOGXYYLY-UHFFFAOYSA-N 443.287 6.511 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2cccc(OC)c2OCCc2ccccc2)c1 2322863966 DXXSCLMZGNFKBF-UHFFFAOYSA-N 446.543 6.010 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2OC)cc1OCc1ccc(Cl)cc1Cl 2323099484 ISCKGKPRDDVBFU-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE CCOC(=O)c1ccc(COc2cc(C=CC(=O)c3ccc(Cl)cc3)ccc2OC)o1 2323126479 YTTCZVDQGIDXFN-UHFFFAOYSA-N 440.879 5.593 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1cccc(C)c1 2323379504 HGWSRCOEYMFZCL-UHFFFAOYSA-N 443.499 6.115 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)c1ccc2c(c1)CCCC2 2323422728 IYIZTQFQFVRSTA-UHFFFAOYSA-N 437.366 7.347 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)cc(Cl)c1OCc1ccccc1C 2323499414 DKIDCKXFSZCYSB-UHFFFAOYSA-N 436.935 6.531 30 10 IKEE C=C(C)COc1c(Br)cc(C=CC(=O)c2ccc(OC)c(C)c2)cc1OCC 2323579863 IYGRKVHKNPRJJY-UHFFFAOYSA-N 445.353 6.016 30 10 IKEE CCN(Cc1ccccc1)c1ccc(C=Nn2c(Cc3ccccc3)nnc2SC)cc1 2323581166 CJVGDKVFMXQRNW-UHFFFAOYSA-N 441.604 5.500 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2OC)cc(OC)c1OCc1ccc(C)cc1 2323718909 PRHVROQZJYRXER-UHFFFAOYSA-N 428.528 6.216 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OCC(=O)Nc1cccc(C)c1 2323865551 ROSRSEHBRRBTTN-UHFFFAOYSA-N 443.543 5.924 30 10 IKEE CCCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(F)cc2)C3=O)c1 2323917526 YZJZUPPZZHITMW-UHFFFAOYSA-N 446.430 5.367 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1 2324017590 RAUPGQLDWVLGKI-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)cc1F 2324107466 ILQQMZNYLLQMQZ-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE O=C(C=Cc1ccc(OCCc2ccccc2)c(Br)c1)c1ccc(F)c(F)c1 2324241650 FHWWRPVLQZPQHB-UHFFFAOYSA-N 443.287 6.245 30 10 IKEE C=CCOc1c(CC=C)cc(C=CC(=O)c2cc(Cl)c(OC)cc2OC)cc1OC 2324430168 RFDUCVQDHLYCKG-UHFFFAOYSA-N 428.912 5.555 30 10 IKEE O=C1C(=Cc2ccc3c(c2)OCO3)Oc2cc(OCCCCOc3ccccc3)ccc21 2324581240 ICTMIPGKFHJZJR-UHFFFAOYSA-N 430.456 5.270 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccccc3Cl)n2)c2ccccc12 2324840844 HIVHBHABXNSECG-HXUWFJFHSA-N 444.943 6.515 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccccc1C)C2=O 2325008718 CNQPZKKXVWRAIV-UHFFFAOYSA-N 441.527 5.808 30 10 IKEE CC(=O)c1cccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2C)C3=O)c1 2325384905 SUSJLFJEHGFETR-UHFFFAOYSA-N 441.483 5.140 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1OC(=O)c1cccs1 2325668942 VSBDHNLNDOBPBO-UHFFFAOYSA-N 440.520 6.539 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3ccc(Cl)c(C)c3)c2)cc1 2325719121 AOUKLCPRWHVQHV-UHFFFAOYSA-N 436.891 5.538 30 10 IKEE CCc1ccc(C(=O)Oc2cc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)ccc2OC)cc1 2325721597 DTYGBEVPEMDLOB-UHFFFAOYSA-N 431.444 5.281 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2cccc(C=CC(=O)c3ccc(C)cc3C)c2)c1 2325736476 OAYOVEWIQZACEA-UHFFFAOYSA-N 428.528 6.273 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccc(OC)c(OCC)c1 2326306280 GHKMIXZZYBJSAG-UHFFFAOYSA-N 438.597 5.511 30 10 IKEE CCCOc1cc(C=Nn2c(C)nnc2SCc2ccc(Cl)cc2)ccc1OC 2326350429 CXYGGFCBXMAISJ-UHFFFAOYSA-N 430.961 5.212 30 10 IKEE CCc1nnc(SCc2cccc(C(=O)OC)c2)n1N=Cc1cccc(Cl)c1Cl 2326756835 GQAMEUVWEIWVQU-UHFFFAOYSA-N 449.363 5.108 30 10 IKEE Fc1cccc(CSc2nnc(COc3ccc(Cl)cc3)n2N=Cc2ccco2)c1 2327527286 RKORNCUARGYOQV-UHFFFAOYSA-N 442.903 5.417 30 10 IKEE Cc1ccc(CSc2nnc(COc3cccc(C)c3C)n2N=Cc2ccccc2)cc1 2328818628 SCQLSWCEPHWAGF-UHFFFAOYSA-N 442.588 5.957 30 10 IKEE COc1ccc(C=NNc2ccnc(Cl)n2)cc1OCc1ccc(Cl)c(Cl)c1 2328841484 FYTMAAJNYRWPHJ-UHFFFAOYSA-N 437.714 5.470 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(Br)cc1 2329568782 UFDCRVFCWIXACK-UHFFFAOYSA-N 447.789 5.911 30 10 IKEE CSc1nnc(CCc2cccs2)n1N=Cc1cccc(OCc2ccccc2)c1 2329623141 ZZLAMWZAHURIBP-UHFFFAOYSA-N 434.590 5.308 30 10 IKEE Clc1ccccc1CSc1nnc(CCc2cccs2)n1N=Cc1ccncc1 2329667581 OCCHLNPQEKASGZ-UHFFFAOYSA-N 439.997 5.348 30 10 IKEE CCCCOc1ccc(C=Nn2c(Cc3ccccc3F)nnc2SC)cc1OCC 2329700668 FISKJGXGQRLNMO-UHFFFAOYSA-N 442.560 5.190 30 10 IKEE Cc1cccc(CSc2nnc([C@H](C)c3ccccc3)n2N=Cc2ccc(Cl)cc2)c1 2330074599 USYKAWJUBLBSPU-LJQANCHMSA-N 447.007 6.566 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCCc2ccccc2)n1N=Cc1cccc(Cl)c1 2330115098 CZTBJYNAYXXPGA-IBGZPJMESA-N 447.007 6.300 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)CCCSC)c(OC)c2)cc1 2330742783 SWPPAKKBTYKFLA-UHFFFAOYSA-N 428.550 5.211 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)ccc1OC(=O)Cc1cc(C)ccc1C 2330794760 XMAKPXLXERTSNV-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(Cl)c3)c(Cl)c2)cc1C 2330862993 BLLFDVZROUJQFW-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc(O)cc1 2330874260 GBAUXWXTUWTEKE-UHFFFAOYSA-N 449.407 6.054 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(Cl)cc3)c(Cl)c2)cc1 2330961064 DWGPLQYQXZFTAT-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCCc3ccccc3)nnc2[C@@H]2CCCO2)cc1 2330968082 WTDSDAZIKAKCSM-QHCPKHFHSA-N 449.624 5.193 30 10 IKEE C=CCSc1nnc(C2CCCC2)n1N=Cc1ccc(N(CC)Cc2ccccc2)cc1 2331081212 GVOJMKVNEYDVLW-UHFFFAOYSA-N 445.636 6.123 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)c1cncc(C)c1 2331319427 RQACSNCPSRZILW-UHFFFAOYSA-N 431.488 5.139 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)c1cnc(C)cn1 2331331727 JWWFWHFVYAUXPO-UHFFFAOYSA-N 440.858 5.010 30 10 IKEE CN(C)c1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C(C)(C)C)cc1 2331411024 FVRKOUJKUAXBIF-UHFFFAOYSA-N 428.005 5.470 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cccc4ccccc34)cc2Cl)cc1 2331472470 WSEDYFZUABJYPL-UHFFFAOYSA-N 426.899 6.917 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SCc3ccccc3C)nnc2C2CCC2)cc1 2331491920 WWKFZPDXQCLGIO-UHFFFAOYSA-N 448.636 6.598 30 10 IKEE CCc1ccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C2CCC2)cc1 2331541897 NZDAFTJPSCXEAD-UHFFFAOYSA-N 445.419 6.589 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2cccc3ccccc23)c1 2331684504 JUQGHQSFKWAVAH-UHFFFAOYSA-N 443.576 5.476 30 10 IKEE COc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C(C)C)cc1OC 2331705574 HUOJBFISLNPYLL-UHFFFAOYSA-N 446.576 5.746 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)ccc1OC(=O)C1CCC1 2331814479 FEBYYRAAUIUKFI-UHFFFAOYSA-N 449.330 6.002 30 10 IKEE COc1cc(C=NNc2oc(-c3cccs3)nc2C#N)ccc1OCc1ccc(C)cc1 2331938221 QZRKCGYWNIIOJI-UHFFFAOYSA-N 444.516 5.617 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NC)c2cc(Cl)cc(Br)c2F)C1 2337099755 YJNYGQCAFKHKBP-MRXNPFEDSA-N 447.776 5.363 30 10 IKEE CCc1csc(C#CC(=O)c2cc(Br)cc(NC(=O)OC(C)(C)C)c2)n1 2338649652 VKCIFUZZCYOGMO-UHFFFAOYSA-N 435.343 5.049 30 10 IKEE CC[C@H](C)[C@@H](COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339580662 FCHGBUTWATYSAF-PKOBYXMFSA-N 446.397 5.044 30 10 IKEE CC1(C)OB(/C=C/c2ccc(Nc3cccc(Br)c3Cl)nc2)OC1(C)C 2365105362 WKCHLUUIISPKIG-ZHACJKMWSA-N 435.558 5.886 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Oc2cc([N+](=O)[O-])ccc2C#N)ccc1Br 2370353820 VSAUHTZVFAJXOZ-UHFFFAOYSA-N 434.246 5.368 30 10 IKEE Cc1ccc(NC(=S)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1C 3041846 NOQVWQQECKDOKW-QYQHSDTDSA-N 448.979 5.194 30 10 IKEE CC1=C(CCO/N=C(/c2ccccc2)c2cccnc2)c2cccc(OCC(=O)O)c2CC1 14952425 VSVQEQDGOFPGAT-OHYPFYFLSA-N 442.515 5.124 30 10 IKEE in-vitro CC[C@@H](C)Oc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1cccs1)C2 21240549 PJPXODVMDIJUEQ-DLEQGYHRSA-N 444.600 6.905 30 10 IKEE Cc1cc(C)c2c(C)c(C(=O)c3c(C)c(C#N)c(=O)n([C@@H](C)c4ccccc4)c3O)oc2c1 38623501 VXCMKJBOPLERCX-SFHVURJKSA-N 440.499 5.246 30 10 IKEE O=C(O)c1ccc(/C=C2\S/C(=N/c3ccncc3Cl)N(C3CCCCC3)C2=O)cc1 39864606 XIHAFWRZBVOGMR-XOVMAZANSA-N 441.940 5.370 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccccc1F 40094204 NQYRJUIGIYWEJQ-QHCPKHFHSA-N 439.527 5.547 30 10 IKEE Cc1c(C(=O)Nc2ccccc2F)oc2c1/C(=N/NC(=S)Nc1ccccc1)CCC2 40825085 SSSFQWQNNYRVON-OVVQPSECSA-N 436.512 5.006 30 10 IKEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2sccc2C)C3=O)cc1OC 41289664 IJHOCAIAJUEDOH-NDENLUEZSA-N 436.485 5.218 30 10 IKEE COc1cccc(COc2ccc3c(c2C)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)c1 41503926 WFFOPZMWVQVUCE-XYGWBWBKSA-N 428.528 6.496 30 10 IKEE COc1c(Br)cc(Cl)cc1/C=C1/S/C(=N\c2ccc(F)cc2)NC1=O 96481755 JNNFIDMOJUQCPP-VGOFMYFVSA-N 441.709 5.142 30 10 IKEE CCCCCCCOc1ccc(NC(=O)CNc2cccc(OC[C@@H]3CCCO3)c2)cc1 100091048 FOFRCEXLXTWPIJ-VWLOTQADSA-N 440.584 5.644 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2 100348904 DOIJMOAFZJZRSY-JWZKTCGFSA-N 449.591 6.796 30 10 IKEE COc1cccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)(C)C)cc2)c1 102705129 ILMUDAQOQIFPLP-FEYWKWKCSA-N 442.515 5.014 30 10 IKEE CCCCCCCCCCOc1ccc(C2=N/C(=C/c3cccc(OC)c3)C(=O)O2)cc1 103378453 KRXMUTUJIGCAJY-LKUDQCMESA-N 435.564 6.559 30 10 IKEE Cc1cc(C)c(S(=O)(=O)N/N=C/c2cc(Cl)c(OCC(C)C)c(Cl)c2)c(C)c1 169904544 KZECSFKRWRLHES-AUEPDCJTSA-N 443.396 5.266 30 10 IKEE CCN1C(=S)N[C@@H](c2ccc(OCc3ccccc3Cl)cc2)C2=C1CCCC2=O 169932956 CRFNXKBEJSFBHH-QFIPXVFZSA-N 426.969 5.177 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccc(O)cc1 169961862 DBCYJLMSMKZWTL-QHCPKHFHSA-N 433.891 5.148 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2cccc(C)c2)c1 169972981 PQSAVEYQJWCTHM-SANMLTNESA-N 441.527 5.101 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2cccs2)cc1 169982972 YYCXPPFWVKFVKI-NRFANRHFSA-N 448.500 5.563 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccccc2)c1 170047048 AECHLWQGMCRNCU-QHCPKHFHSA-N 447.918 5.912 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(Cl)cc2)c1 170057503 LTQPSPUFYPPKQQ-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccc(F)cc1)c1ccc(F)cc1 170061014 MLCVSDLWWDOEBU-FQEVSTJZSA-N 427.353 5.026 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2cccc(O)c2)s1 170079661 FMWKKKTZCBVRQC-NRFANRHFSA-N 448.544 5.372 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccc(O)cc2)cc1 170133091 FHUBKIUIRVYKQR-VWLOTQADSA-N 435.479 5.637 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2cccc(C)c2)c1 170141193 KDBXROKDDCSHMI-DEOSSOPVSA-N 443.499 5.272 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCOC(C)C)c1 170148213 BWGJYNWMHZNMJP-NRFANRHFSA-N 427.928 5.042 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccccc1OC(C)C 170150890 CPHJKTLNYHWJSV-QFIPXVFZSA-N 425.500 5.300 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2cccs2)c1 170160632 HECYFEUNXOOXLD-JOCHJYFZSA-N 433.529 5.547 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2cccs2)cc1OC 170160690 OGYIBMGBEQJCNU-JOCHJYFZSA-N 449.528 5.165 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccccn1)c1cc2ccccc2o1 170173523 XIAPYHUVOQHOBA-NRFANRHFSA-N 430.847 5.264 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccncc2)c1 170202676 IJEYAVBFADVCLW-RUZDIDTESA-N 434.495 5.635 30 10 IKEE Cc1nc(-c2ccccc2)sc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccncc1 170212272 HAOGKEZTHRKSRF-FQEVSTJZSA-N 445.544 5.034 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccc2)c1 170222656 WJPSHWXMLGRVER-DEOSSOPVSA-N 445.490 5.643 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccccc2)cc1Cl 170225473 BURIRWAZSBHFGI-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccccc1F 170249338 YPBAQTUWQYYHFM-QHCPKHFHSA-N 445.490 5.542 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@@H]1c1ccccc1F 170252762 YRTLEULYZBPJAU-NRFANRHFSA-N 425.500 5.120 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1c1ccccc1 170272185 WLPAABKRKAFCKF-XMMPIXPASA-N 427.500 5.565 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@@H]1c1ccco1 170285475 JFZATGCNEZLIRU-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccco2)cc1 170290159 LENDTADHXIOEEZ-DEOSSOPVSA-N 445.515 5.940 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2c2ccccc2O)o1 170301168 BRYNFCYRLHBZTE-QHCPKHFHSA-N 447.487 5.172 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2sccc2C)cc1 170314305 BNLKGKKTFQUNNJ-OAQYLSRUSA-N 433.529 5.547 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2sccc2C)cc1C 170316437 SVDFNKFGEVWSSY-FQEVSTJZSA-N 437.517 5.053 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(OCC(C)C)cc2)c1 170344842 OQQZVRJYOLHBSZ-HSZRJFAPSA-N 431.488 5.406 30 10 IKEE CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]3c3cccs3)sc2c1 170477356 GKVPEVWKNHVISB-KRWDZBQOSA-N 442.562 5.272 30 10 IKEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c(OC)ccc3ccccc13)N2 226867375 XRCGKSRTXIDTJE-SWYRRKHMSA-N 446.572 5.139 30 10 IKEE CSc1ccc(C=Nc2cccc3c(N=Cc4ccc(SC)cc4)cccc23)cc1 254344912 BXEPJMKQNNEUTF-UHFFFAOYSA-N 426.610 7.785 30 10 IKEE CC(=NNc1nc(-c2cc(C)ccc2C)cs1)c1cc2c(ccc3ccccc32)oc1=O 254404271 PMHRVSSRXJGKHI-UHFFFAOYSA-N 439.540 6.523 30 10 IKEE O=[N+]([O-])c1ccc(C=NNc2nc(-c3ccc(Sc4ccccc4)cc3)cs2)cc1 254485548 DULLNSPGQIVGSQ-UHFFFAOYSA-N 432.530 6.316 30 10 IKEE Cc1c(C=Nc2sc3c(c2C(=O)NC2CCCCC2)CC[C@H](C(C)(C)C)C3)cnn1C 254487207 UPQWKMYKYNVFAW-SFHVURJKSA-N 440.657 5.754 30 10 IKEE CC(=NNc1cc(C(F)(F)F)ccn1)c1ccc(Oc2c(Cl)cncc2Cl)cc1 254558457 JRKZOUREDDMJQG-UHFFFAOYSA-N 441.240 6.431 30 10 IKEE CSc1nnc(CCCNc2cc(C#N)c3cc(Cl)ccc3n2)n1C1CCCC1 301523731 MJBCPSUTMHTSKR-UHFFFAOYSA-N 426.977 5.233 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccc(F)c2)cc1 526486688 NUWLBQKTHLZJNS-XMMPIXPASA-N 428.463 5.543 30 10 IKEE CC(C)COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(F)cc2)cc1 526605804 STBNIWUQYZRQLS-VWLOTQADSA-N 442.490 5.789 30 10 IKEE CC(C)COc1cccc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2ccccc2C#N)c1 526606959 QWEFVMIQGORNHK-QHCPKHFHSA-N 430.529 5.712 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2cccs2)[C@@H]1c1ccc(Cl)c(Cl)c1 526607524 XHCVJAZWGQPFJY-IBGZPJMESA-N 427.312 5.984 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccc(O)c(Cl)c1 526807366 XVDJXBCJFIOJDM-FMCGGJTJSA-N 435.380 5.808 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1ccc(OCC)c(Cl)c1 526818899 GHSXJEJGOTZJJE-QFEZKATASA-N 443.016 6.074 30 10 IKEE COc1cc(/C=N\n2cnnc2SCc2ccc(Cl)cc2Cl)cc(Cl)c1O 526823443 KWPHLBRNYXJJTL-HOEBFWFUSA-N 443.743 5.127 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c1 586002240 OPMKTIKXRMPSBV-JOCHJYFZSA-N 439.987 5.212 30 10 IKEE C#CCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586251633 ORJUTDVNYIILGH-UHFFFAOYSA-N 433.573 5.392 30 10 IKEE C=CCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(OC(C)C)cc1 586255931 ACKNHPJKAYKWMO-UHFFFAOYSA-N 437.561 5.434 30 10 IKEE COc1ccc(Br)c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(C)c2)c1 698421080 XVTJMFXRYSDVRA-LJQANCHMSA-N 431.330 5.773 30 10 IKEE Cc1cc(Cl)ccc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 698487722 GWWQHLBRKKYNQG-GOSISDBHSA-N 435.749 6.417 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)C1 699664536 ZAYYSAPPSGGOFR-OSPHWJPCSA-N 447.551 5.497 30 10 IKEE CC(C)(C)c1cc[n+](/C(C(=S)NCc2ccccc2)=C(/O)c2ccc(C#N)cc2)cc1 762445182 IODKQBRGNNBCHK-UHFFFAOYSA-O 428.581 5.144 30 10 IKEE O=C(Nc1cccc(Cl)c1)c1cccc(N=Cc2cccc(OCc3ccccc3)c2)c1 1084339407 TWGTZRNHWPBHJL-UHFFFAOYSA-N 440.930 6.922 30 10 IKEE CC(=NNc1nc(SCc2ccc(Cl)cc2)n[nH]1)c1ccc(Br)cc1 1084615421 SNIHATGJICXQPV-UHFFFAOYSA-N 436.766 5.349 30 10 IKEE CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@H]2/C=N/c1ccccc1/N=C/[C@H]1C(=O)[C@H]2CC[C@@]1(C)C2(C)C 1088651725 HXEWRZRCECTMFG-OLRXOCLZSA-N 432.608 6.374 30 10 IKEE C=CC1CCN(c2nnc(C(C)(C)C)n2Cc2ccnc(OCc3ccccc3)c2)CC1 1359172989 QDLJMAIJFSWIKW-UHFFFAOYSA-N 431.584 5.000 30 10 IKEE CCN(CC)CCOc1ccc(/C=N/c2ccc(Cl)c3ccccc23)c(Cl)c1Cl 1614266739 JKYMDTPMKUSVFO-JFLMPSFJSA-N 449.809 7.271 30 10 IKEE O=C1/C(=C\c2ccc(F)cc2)S/C(=N/N=C/C=C/c2ccccc2)N1Cc1ccco1 1615304575 IZTCHOWDWBLWMD-YUDUSWNBSA-N 431.492 5.590 30 10 IKEE O=C1/C(=C/c2ccncc2)SC(=Nc2nc(-c3ccccc3)cs2)N1c1ccccc1 1772733949 CMVPMBIYVYZCAH-QGNOBFDASA-N 440.553 6.014 30 10 IKEE Cc1cccc(N=C2S/C(=C/c3c(Cl)cccc3Cl)C(=O)N2c2ccccc2)n1 1772739845 ZNHWMAKQWLKQLF-ADKREUBMSA-N 440.355 6.505 30 10 IKEE N#Cc1cc(-c2c(F)c(F)c(F)c(F)c2F)nc(-c2c(F)c(F)c(F)c(F)c2F)c1 1848358399 DDUSMDDWJKZWQT-UHFFFAOYSA-N 436.208 5.678 30 10 IKEE CCCc1nc2sc(C)c(-c3cccc(OC)c3)c2c(=O)n1Cc1cccc(C#N)c1 1857803065 ZBUUBHFPTKNTND-UHFFFAOYSA-N 429.545 5.315 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)c2ccc(Cl)cc2)c(=O)cc1C(=O)O 1857891583 XYDXAPYOACXDQY-UHFFFAOYSA-N 447.959 5.602 30 10 IKEE N#Cc1ccccc1COc1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1 1860103275 AIPFPUZQJUZMBD-UHFFFAOYSA-N 427.287 5.462 30 10 IKEE C[C@@H](Sc1nc(O)c(C#N)c(-c2cccc(Cl)c2)n1)C(=O)Nc1ccccc1Cl 1860463666 MRGDGYWEAFKUOC-LLVKDONJSA-N 445.331 5.147 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1861028204 KQCOHQOMIWSKCE-IBGZPJMESA-N 437.968 5.110 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)CCCOc1ccc(Cl)cc1 1861715223 RZONCOIOLPPKCH-QFIPXVFZSA-N 439.040 5.651 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2F)cc1 1862390728 KUYQOKAWPLJCJB-DEOSSOPVSA-N 444.506 5.342 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1cccc(C)c1 1862400354 BTDQGRNUYSXBIY-DHLKQENFSA-N 449.591 6.249 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(OC)cc1 1862431390 GIVBMUQKLLUJDG-NRFANRHFSA-N 427.928 5.507 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCCCCO)cc1 1862446553 VKAQCVOMLVEHDW-QFIPXVFZSA-N 441.955 5.204 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@H]2c2ccccc2)c1 1862486827 MCNMBAXJKLNHOV-QHCPKHFHSA-N 431.919 5.735 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCc2ccc(F)cc2)c1 1862507184 GAOKBSUBWBVHER-DEOSSOPVSA-N 447.481 5.403 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(O)cc1 1862530039 MQLXJDXVWGSNBW-URXFXBBRSA-N 435.564 5.892 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862533304 IRUMYHZXFVHDQU-RUZDIDTESA-N 442.559 6.031 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cc(Cl)cc(Cl)c1 1862554215 XTWGFCQJOLZYDS-HXUWFJFHSA-N 430.331 5.470 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1cc(Cl)cc(Cl)c1)c1ccc2c(c1)CCCC2 1862554305 ZMXULKVJGKWVIO-OAQYLSRUSA-N 442.342 5.613 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2cccc3ccccc23)c1 1862561387 OZBZZMFNTCFJGG-VWLOTQADSA-N 440.543 5.723 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@H]1c1ccc2cc[nH]c2c1)c1cccc(O)c1 1862597557 ZZFIUPQHQJUROT-DEOSSOPVSA-N 442.515 5.342 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccccc1Cl 1862659995 DJGDADVAFAIABI-QFIPXVFZSA-N 441.955 5.467 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccccc1Cl)c1ccc(F)cc1 1862676011 YLFZORLWNLTLPB-OAQYLSRUSA-N 439.845 5.397 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862688122 RZSDQQKTGFJJHO-RUZDIDTESA-N 445.559 5.726 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc(C(C)C)cc2)c1 1862701640 JXZJJSLLGRVJSW-DVKBMCPXSA-N 447.575 5.976 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(CC)cc1 1862702290 APHVHQMSVKJZBN-RUZDIDTESA-N 449.591 6.196 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 1862735774 AYGLGIZXRMTHRT-JOCHJYFZSA-N 436.508 5.534 30 10 IKEE CCCCOc1ccccc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2cccs2)C1=O 1863117060 VJOCVVQWIYCYBV-UHFFFAOYSA-N 443.528 5.195 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(F)ccc2F)=C(c2ccc(Cl)cc2)C1=O 1863175148 BRLZVOPSOZOTOQ-UHFFFAOYSA-N 446.925 6.171 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C)c2C)=C(c2ccc(C)c(C)c2)C1=O 1863248206 JZUBMYYAEOWXKF-UHFFFAOYSA-N 432.608 6.473 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(Cl)c2)=C(c2ccc(F)cc2F)C1=O 1863311905 VOVSVLJPTFUVRP-UHFFFAOYSA-N 446.925 6.171 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(Nc3ccccc3C#N)=C(c3cc(C)ccc3C)C2=O)c1 1863408359 DVSMRDDANWNYMQ-UHFFFAOYSA-N 435.527 5.184 30 10 IKEE CCCCCCCCCCCC(=O)Nc1nc(C)c(C(=O)OCc2ccccc2)s1 1865986075 MIAAQUYEAKNLGD-UHFFFAOYSA-N 430.614 6.668 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N1CCc2cccc(OC)c2C1 1866342384 KCCBSUKOXKSORQ-UHFFFAOYSA-N 429.689 7.841 30 10 IKEE C=CCN(CC=C)c1cc(N(Cc2ccccc2)C(C)C)nc(-c2ccccc2Cl)n1 1867978383 XVJFQOUXLRPVEB-UHFFFAOYSA-N 432.999 6.390 30 10 IKEE CC(C)c1nc(Nc2cccc(C#N)c2)cc(N2CCN([C@@H](C)c3cccs3)CC2)n1 1868221448 MFSUBBWKCUHRBP-SFHVURJKSA-N 432.597 5.160 30 10 IKEE CCCc1nc(Nc2ccccc2C#N)cc(N2CCC[C@H]2c2nc3ccccc3s2)n1 1868398342 KIWBUBJRBUKZIW-FQEVSTJZSA-N 440.576 5.996 30 10 IKEE C[C@H]1Cc2ccccc2N(c2cc(Nc3ccccc3C#N)nc(-c3ccc(F)cc3)n2)C1 1868463185 NWRKHMOWXNZYCA-SFHVURJKSA-N 435.506 6.228 30 10 IKEE CC(C)CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(C(C)C)cc1 1871254940 MKHIJQAWHFLMRS-UHFFFAOYSA-N 443.591 6.081 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCCc4ccccc43)C2=O)cc1 1871395197 KIMJFHZWKCCRRF-QQXSKIMKSA-N 425.528 6.085 30 10 IKEE C[C@@H](Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O)C(=O)Nc1ccc(F)cc1 1871400906 OHPGRSHFDQGOBI-ICSXDGQRSA-N 429.447 5.404 30 10 IKEE CCc1ccc(OCCCOc2ccc3c(c2C)O/C(=C\c2ccccc2F)C3=O)cc1 1871412876 JGTAJUPTPAZEJL-UQQQWYQISA-N 432.491 6.161 30 10 IKEE COc1ccc(OCCCOc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871415491 FATOKTATQYDPDL-IWIPYMOSSA-N 436.891 5.813 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCc4cc(C)c(C)cc4C)cc(C)c3C2=O)c(OC)c1 1871417276 GEIMAUSPBAOZEV-ZRGSRPPYSA-N 444.527 6.133 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCCc4ccc(C)cc4)ccc3C2=O)c(OC)c1OC 1871437622 QFWMAHLJCWTIGD-IWIPYMOSSA-N 446.499 5.259 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCCc4ccc(C)cc4)cc(C)c3C2=O)cc1OC 1871437682 WKPJGYHMFNDIJA-MYYYXRDXSA-N 430.500 5.558 30 10 IKEE CCc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871454204 KLQHOWDKITZITH-UCQKPKSFSA-N 431.463 5.330 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)CCCC 1871795271 VDJKSQQOLZREAK-FQEVSTJZSA-N 429.026 5.010 30 10 IKEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1871888839 FUTLIDUOIIMXTL-QHCPKHFHSA-N 442.625 5.213 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1872027100 ZJQYGXXRMIRDDH-WMZHIEFXSA-N 442.625 5.214 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3Br)n2)cc1F 1872774724 AFPNTQGGNROSAR-ZDUSSCGKSA-N 431.286 5.210 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc2nc(Cc3ccc(Cl)cc3)[nH]c2c1 1872810786 CYSMOWDIRGKIQK-UHFFFAOYSA-N 426.004 6.678 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@@H](C)c2ccccc2)=C(c2ccccc2)C1=O 1873160066 VCFOFQBUOJWBPC-QFIPXVFZSA-N 432.608 6.258 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1c[nH]c2ccccc12 1874249932 OXWSMTMBSUNKFH-YZSQISJMSA-N 431.565 5.240 30 10 IKEE Cc1cccc(CSc2nnc(COc3c(C)ccc(C)c3C)n2/N=C/c2ccc[nH]2)c1 1874254778 SEUQLYBYVWAFPD-MZJWZYIUSA-N 445.592 5.593 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCCC)nnc1C1CCC(CCCC)CC1 1874287394 CGXNCRAEUMTHOV-LGUFXXKBSA-N 440.657 6.691 30 10 IKEE CCCSc1nnc(COc2cccc(C)c2C)n1/N=C/c1cc(Cl)ccc1O 1874324864 WNYDOGVZHRCXBG-FSJBWODESA-N 430.961 5.217 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3F)n2/N=C/c2cccc(O)c2)c1 1874376361 SCZVWZFYRQBTCR-JFLMPSFJSA-N 446.551 5.505 30 10 IKEE O=[N+]([O-])c1ccc(/C=N/n2c(Cc3cccs3)nnc2SCCc2ccccc2)cc1 1874413543 ZKIAOVQFHGUBGU-XQNSMLJCSA-N 449.561 5.056 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2)c(OC)c1 1874428103 RVTZKEMPIPSKRQ-PCLIKHOPSA-N 430.533 5.137 30 10 IKEE Cc1ccsc1/C=N/n1c(CC(C)(C)C)nnc1SCc1cccc2ccccc12 1874439948 BMEHEHCVFMRONG-MFKUBSTISA-N 434.634 6.564 30 10 IKEE COCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1sccc1C 1874473934 DVOTYLKFZSEFMG-UFFVCSGVSA-N 441.409 5.318 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(SCc2cccc(F)c2)nnc1C(C)(C)C 1874482336 ARTTYPXSMRTFFL-AFUMVMLFSA-N 426.561 5.676 30 10 IKEE COc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C(C)(C)C)cc1 1874486718 HHZNJCSWFJNEFU-WYMPLXKRSA-N 432.952 5.551 30 10 IKEE CCCSc1nnc(CCC)n1/N=C/c1ccc(OCc2ccc(C)cc2)c(OC)c1 1874508534 JHTBNAGAERXUIW-PCLIKHOPSA-N 438.597 5.511 30 10 IKEE C=C(C)CSc1nncn1/N=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 1874536919 CPJNXPRXJUNMFQ-BHGWPJFGSA-N 428.945 5.070 30 10 IKEE Cc1ccc(C(=O)/C=C/c2c(OCC(=O)Nc3ccc(C)cc3C)ccc3ccccc23)cc1 1874579652 ZYMSVTBXRFLOCV-JQIJEIRASA-N 449.550 6.679 30 10 IKEE CCc1ccccc1NC(=O)COc1c(/C=C/C(=O)c2ccc(C)cc2)cccc1OC 1874579696 CTYYHMZBINWLTJ-WUKNDPDISA-N 429.516 5.480 30 10 IKEE O=C(COc1cccc(/C=C/C(=O)c2ccc(Br)cc2)c1)Nc1ccccc1 1874595190 YQRHYEAKSDUCCQ-NTEUORMPSA-N 436.305 5.363 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1OCc1ccc(Cl)cc1 1874596679 YDGXVJQCZZXHQI-ONNFQVAWSA-N 447.745 7.131 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OCC(=O)Nc1ccccc1F 1874597698 ZXXWFUFYDGIGDK-RIYZIHGNSA-N 447.506 5.871 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OCc3ccccc3Cl)c2)cc1C(C)C 1874598543 RJRMQPHSRDPUKV-OUKQBFOZSA-N 434.963 7.256 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1cccc(OCC(=O)Nc2cccc(C)c2)c1 1874600623 VLEDNQPULMFRAT-ZHACJKMWSA-N 449.934 5.879 30 10 IKEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3cccc(Br)c3)cc2)o1 1874609647 CEHZACUWAJEUGQ-YRNVUSSQSA-N 441.277 5.304 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OCC(=O)Nc1cc(C)cc(C)c1 1874613114 CYDNNLQKDXFPGK-VQHVLOKHSA-N 449.934 5.879 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3c(C)cccc3C)c(Cl)c2)cc1 1874616124 KRMMUXHSVTUWQS-UKTHLTGXSA-N 433.935 6.179 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(C)cc3)c(OCC)c2)cc1 1874616945 BMGDOKREZMPHFY-MHWRWJLKSA-N 430.544 6.658 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)cc1F 1874621258 BLZCCNILNSDAOM-CSKARUKUSA-N 440.898 6.280 30 10 IKEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc1Cl 1874638083 IAYYTJHPJUTUMS-DHZHZOJOSA-N 437.923 5.303 30 10 IKEE CCCOc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(CC)cc3)c2)cc1 1874694819 VRAYKAVPFLAMKU-SFQUDFHCSA-N 428.528 6.082 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc(F)cc3F)ccc2OC)c1 1874699680 HWXVOGBXPCZPGR-YRNVUSSQSA-N 438.426 5.487 30 10 IKEE O=C(CC12CC3CC(CC(C3)C1)C2)Oc1cccc(/C=C/C(=O)c2ccc(Cl)cc2)c1 1874700991 WDHGQBFYPYONIF-RUDMXATFSA-N 434.963 6.748 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2cc(C)ccc2OC)cc1OC(=O)C(C)C 1874704373 LYASRWPVTOFXIF-BQYQJAHWSA-N 447.325 5.232 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cccc(C)c3)c2)c(OC)c1 1874714302 OOFVCKDVLNCRGL-XYOKQWHBSA-N 432.472 5.136 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(C)cc2C)CSc2nnc(C(C)C)n21 1874858311 WWXWZFCCSNMMQB-NRFANRHFSA-N 428.646 6.081 30 10 IKEE O=C(Cc1ccccc1F)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1Cl 1875097053 SKBCYMQDJARFKQ-UKTHLTGXSA-N 448.921 6.402 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(Br)c1OC(C)=O 1875098162 VPNRZFFDOPIAFV-DHZHZOJOSA-N 443.337 5.548 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3)c(Cl)c2)cc1 1875106977 UBIQMUZCAUEDRX-VIZOYTHASA-N 436.910 6.937 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3OC)cc2)cc1C 1875107578 XMLXIGKIQVRMOJ-XNTDXEJSSA-N 430.500 5.447 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])c(Cl)c1)c1cccc(Cl)c1 1875121619 YQHLLYPIGXFZGO-CSKARUKUSA-N 442.254 6.017 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)c1cccnc1 1875122404 ZPZVPARUFLPGDW-ZHACJKMWSA-N 433.891 5.587 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)Cc1ccccc1 1875123705 ZWWDFYVWYWFGBO-ZHACJKMWSA-N 441.310 6.046 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)c1cc(C)cc(C)c1 1875136136 YYOVIKWHIJJAIC-DHZHZOJOSA-N 448.946 6.779 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3cccc(Oc4ccccc4)c3)cc2)c1 1875138092 ONYQHVNBRWBBEX-OBGWFSINSA-N 448.518 7.211 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)c1cccnc1 1875140085 OXPXMGAYWXMTAO-VAWYXSNFSA-N 427.500 5.551 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])c(Cl)c2)ccc1F 1875141432 FCYVJZUCMUDHJL-UXBLZVDNSA-N 439.826 5.811 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OCC 1875142188 ONAMVSJXLUMFQD-JLHYYAGUSA-N 446.946 6.958 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc(OC)c1OC(=O)CCCC 1875166547 LULHJRJELSQXQP-WYMLVPIESA-N 436.548 6.041 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OC(=O)CC3CCCCC3)c(Cl)c2)c1C 1875168498 GFHCKOHFFGQEQD-ZRDIBKRKSA-N 438.995 7.346 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)ccc1OC(=O)CC(C)(C)C 1875180112 MKJJAKLHNFOMPI-CSKARUKUSA-N 444.955 6.293 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)[C@@H](C)c1ccccc1 1875183428 ALWBQZDKIJJZIM-VKXNWWILSA-N 442.555 6.616 30 10 IKEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1892768366 VQLDEPSOHOABAT-OSWQYVSFSA-N 443.588 5.351 30 10 IKEE CCC1(NC(=O)OC(C)(C)C)CC(C#N)(N(C(=O)OC(C)(C)C)c2ccc(C)cc2)C1 1947416841 DJIXMXUYMPQOEG-UHFFFAOYSA-N 429.561 5.466 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@H](NC(=O)OC(C)(C)C)C2(C)C)c1 2013407291 MVCZPFCGGSKGBJ-MHECFPHRSA-N 429.561 5.322 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@]1(C)CCCN1C(=O)OC(C)(C)C 2020804075 MEDWOZRJMALTLH-DVECYGJZSA-N 429.561 5.418 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@H](C(C)C)N(Cc3ccccc3)C2)c1 2029764091 OCXHXIMYQWGPNC-SQHAQQRYSA-N 433.596 5.929 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2CC(C#N)(N(C(=O)OC(C)(C)C)c3ccccc3F)C[C@H]2C1 2040988235 LOFZQKBVYJEHDN-IRXDYDNUSA-N 445.535 5.106 30 10 IKEE CCCCCCCCC[C@H](N)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2041896495 KETYMPCCUKQDJG-IGKIAQTJSA-N 446.676 6.298 30 10 IKEE C=CCN(CC[C@H](Cc1cc(Cl)cc(Br)c1)NC)C(=O)OC(C)(C)C 2047968723 UVIJNYMNAYJZKA-QGZVFWFLSA-N 431.802 5.046 30 10 IKEE CC1([C@@H](c2ccc(C3CC3)cc2)n2nc(C3CCC3)c(/C=N/O)c2Br)CC1 2079041740 YGFZVLOYIGQIKY-FINLKQIMSA-N 428.374 5.988 30 10 IKEE CC1([C@@H](c2ccc(C(F)(F)F)cc2F)n2nc(C(F)(F)F)c(C=NO)c2Cl)CC1 2079970803 XRUWYUUEDSJBMI-CYBMUJFWSA-N 443.750 5.911 30 10 IKEE Fc1ccc(-c2c(C(F)(F)F)nn(C3CCC3)c2Br)c(C(F)(F)F)c1 2080797283 LOIJYXLZBMGUNN-UHFFFAOYSA-N 431.149 6.214 30 10 IKEE C=CCCCCCC[C@@H](N)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2085842034 MTYZIDWDENQHAK-HHHXNRCGSA-N 429.604 7.371 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(Cc3ccccc3)C(C)(C)C2)cc1 2135155722 GBTIDGLRCFAHQQ-MHZLTWQESA-N 449.595 5.774 30 10 IKEE C=CCN(CC[C@@H](Cc1cc(F)ccc1Br)NCCC)C(=O)OC(C)(C)C 2155516264 IFKPZBDBJOYDBJ-SFHVURJKSA-N 443.401 5.312 30 10 IKEE CC(C)(C)OC(=O)NCC[C@@H]1CCC[C@@H](Nc2ccc(C#N)c(Br)c2F)C1 2162307870 CYSFBIMRPAOCFU-DZGCQCFKSA-N 440.357 5.345 30 10 IKEE C#C[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC 2210719661 GYMYNODNZARHNR-UNVFRBQDSA-N 446.591 5.104 30 10 IKEE C=CCCCCCCC[C@H](O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2227283190 YPDIXNRPWOKEIS-IBGZPJMESA-N 426.395 6.746 30 10 IKEE N[C@H](C#Cc1ccccc1Br)c1ccc(Br)cc1Br 2227469939 DXKJOCZUYGFCIE-OAHLLOKOSA-N 443.964 5.026 30 10 IKEE CCC#CC[C@@H](NCCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237405096 NDQUGSJAYUSSED-UXHICEINSA-N 437.422 5.057 30 10 IKEE C=C1CCC(CC(=O)[C@H](Cc2ccc(Br)cc2)NC(=O)OC(C)(C)C)CC1 2237415064 MELCAENWCGQSQY-IBGZPJMESA-N 436.390 5.591 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(OC)c(Br)s1 2263736304 QCROBGGHDVEIHB-WFASDCNBSA-N 433.412 5.029 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(F)c(C(=O)N(Cc2ccccc2)CC(C)(C)C)c1 2267166131 NUDXFPAYSPVHMJ-UHFFFAOYSA-N 439.380 5.122 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H](Nc2cc(Br)cc(C#N)c2)C(F)(F)CC1 2284579387 UBXXXJSAAXVMSB-INIZCTEOSA-N 444.320 5.158 30 10 IKEE CC(C)(C)OC(=O)N1CCc2cccc(Nc3c(Br)cccc3C#N)c2C1 2285241696 MALBAQCJVULZRS-UHFFFAOYSA-N 428.330 5.358 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@H](CC)CCNC(=O)OC(C)(C)C 2296302899 PDJVCBNOCCLANL-QUCCMNQESA-N 437.422 5.110 30 10 IKEE O=C1NC(=Nc2ccccc2)SC1=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 2297560288 LRAOFPDEFXCXNX-UHFFFAOYSA-N 431.473 5.065 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(OC)c(OCc3ccc(Cl)cc3)c2)SC1=S 2313507541 SECQZROKJZAXPP-UHFFFAOYSA-N 431.966 5.315 30 10 IKEE CCc1nnc(SCC(=O)Nc2ccccc2C)n1N=Cc1c(Cl)cccc1Cl 2320974049 PYFWHGQHNSMOMG-UHFFFAOYSA-N 448.379 5.069 30 10 IKEE Cc1cccc(COc2ccc(Cl)cc2C=CC(=O)c2ccc(Cl)cc2Cl)c1 2322391027 NIJGBCZNJQLPSD-UHFFFAOYSA-N 431.746 7.430 30 10 IKEE CCc1ccc([C@@H](C)N2COc3c(cc4c(c3C)OC(=Cc3ccncc3)C4=O)C2)cc1 2322455520 YBPCXQNHCVLVBC-GOSISDBHSA-N 426.516 5.482 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc(Cl)cc1 2322534965 IVZSBGHKDCAQRF-UHFFFAOYSA-N 440.326 6.215 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C(C)C)cc2)c1OCC(=O)Nc1nccs1 2322738071 CHHKAMZTSMBMNB-UHFFFAOYSA-N 436.533 5.189 30 10 IKEE COC(=O)COc1c(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc(Cl)cc1OC 2322799051 DVZUAUUVOFTEIP-UHFFFAOYSA-N 446.927 5.237 30 10 IKEE Cc1c(OC(=O)c2cc3cc(Cl)ccc3o2)ccc2c1OC(=Cc1cccnc1)C2=O 2322847275 SESUMLJRJPQSPN-UHFFFAOYSA-N 431.831 5.625 30 10 IKEE Cc1c(OC(=O)Cc2ccc(Cl)cc2)ccc2c1OC(=Cc1ccccc1Cl)C2=O 2322900989 VQCKRQAEIULLSO-UHFFFAOYSA-N 439.294 6.066 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1c(OCc2ccccc2)ccc2ccccc12 2322922988 YKYDLHYJCDYBEL-UHFFFAOYSA-N 442.942 7.285 30 10 IKEE Cc1cc(OC(=O)C=Cc2ccc(F)cc2)cc2c1C(=O)C(=Cc1ccc(N(C)C)cc1)O2 2323047438 LPUGECHJXVULSD-UHFFFAOYSA-N 443.474 5.435 30 10 IKEE O=C(C=Cc1ccco1)Oc1ccc2c(c1)OC(=Cc1ccc(Br)cc1)C2=O 2323161028 YUUIIYUNQJKIPP-UHFFFAOYSA-N 437.245 5.277 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OCC(=O)Nc2cccc(C)c2)c1 2323332226 LLENGGPXVBEZCV-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OCc1ccccc1Cl 2323404253 OTOMWYSPWAHHBK-UHFFFAOYSA-N 442.942 7.367 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2Cl)c(Cl)c1)c1ccc2c(c1)CCCC2 2323422676 CVOVKBBGYDSTQC-UHFFFAOYSA-N 437.366 7.347 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(=O)C(Cl)=Cc4ccccc4)ccc3C2=O)c1 2323438210 GANZKAODFVPGRD-UHFFFAOYSA-N 432.859 5.497 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1 2323627363 PUGHLEWPCUVASS-UHFFFAOYSA-N 442.467 5.571 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2OC)ccc1OCc1ccc(Cl)c(Cl)c1 2323719108 NALWJBSPUCYJPU-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OCc3ccc(F)cc3)c(Br)c2)ccc1F 2323972050 GDFPGZWLYAFQCZ-UHFFFAOYSA-N 443.287 6.511 30 10 IKEE Cc1cc(OC(c2ccccc2)c2ccccc2)cc2c1C(=O)C(=CC=Cc1ccccc1)O2 2325216588 ITBRBVKKAUKMNU-UHFFFAOYSA-N 444.530 7.336 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(F)c(F)c2)cc2c1C(=O)C(=Cc1ccc(F)cc1)O2 2325521949 FYIQCVNXRJAFHU-UHFFFAOYSA-N 439.389 5.046 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccccc1Cl 2325540990 CHSKCZRERDEKHJ-UHFFFAOYSA-N 437.371 6.241 30 10 IKEE CCCOc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(Cl)cc3)c2)cc1 2325730175 LHUBQQDIWCKJRV-UHFFFAOYSA-N 434.919 6.173 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(OC(=O)CC)c(OC)cc2Br)cc1 2325739153 HFIRCJRSEXXSIU-UHFFFAOYSA-N 447.325 5.458 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2cccc(C=CC(=O)c3ccc(F)cc3)c2)cc1 2325751332 DVSVYSMEEYIMGM-UHFFFAOYSA-N 432.491 6.049 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1OC(=O)c1cccc(Cl)c1 2325753257 LVCBCICTVGSBDK-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE CCc1ccccc1OCC(=O)Oc1cccc(C=CC(=O)c2c(C)cc(C)cc2C)c1 2325764762 CDEYLBJADRGPRO-UHFFFAOYSA-N 428.528 6.055 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)Cc2ccc(F)c(C)c2)c1 2325781684 GDBDHTRZDHGYJC-UHFFFAOYSA-N 438.882 5.840 30 10 IKEE CCCOc1c(Cl)cc(C=Nn2c(C)nnc2SCc2ccccc2)cc1Cl 2326211674 KKNQPNVDQAOARJ-UHFFFAOYSA-N 435.380 5.857 30 10 IKEE CCOc1cc(C=Nn2c(CC)nnc2SCc2ccccc2)cc(Cl)c1OCC 2326219337 HEJZWHXMFPVZLM-UHFFFAOYSA-N 444.988 5.466 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(OC(C)C)cc1 2326477243 OQRTWWYZMSWZJT-UHFFFAOYSA-N 443.016 6.236 30 10 IKEE Oc1ccc2ccccc2c1C=Nn1cnnc1SCc1ccc(Cl)c(Cl)c1 2326489205 WGJJEADYOUDAQE-UHFFFAOYSA-N 429.332 5.618 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@]12C[C@H](CCN1C(=O)OC(C)(C)C)C2 2326632435 YEFGGGIMPZYNIA-BSWQBHCVSA-N 441.572 5.418 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1N=Cc1cccc(OC(C)C)c1 2326736111 KOAHAZNQQIRZFE-UHFFFAOYSA-N 426.561 5.722 30 10 IKEE Clc1ccc(CCc2nnc(SCCc3ccccc3)n2N=Cc2cccnc2)cc1 2328065631 IYDDXKICJOULFB-UHFFFAOYSA-N 447.995 5.329 30 10 IKEE Cc1ccsc1C=Nn1c(COc2cccc(C)c2C)nnc1SCc1ccccc1 2328846874 DHULJMJBAWXMLO-UHFFFAOYSA-N 448.617 6.018 30 10 IKEE CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2330047348 TWTNEUZWJOTZAD-SFHVURJKSA-N 442.544 5.253 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1 2330747623 SRRNXGBJRBIFIV-UHFFFAOYSA-N 435.863 5.926 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)CCCSC 2330824173 SOZUFFMDMYNQQP-UHFFFAOYSA-N 439.360 5.947 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)c(F)c3F)cc2)cc1C 2330855451 ADQCNDOQRXIXIF-UHFFFAOYSA-N 426.390 5.536 30 10 IKEE CCCSc1nnc([C@@H]2CCCO2)n1N=Cc1ccc(OCc2ccc(C)cc2)cc1 2330979767 NEUYVLNVIUZWMI-QFIPXVFZSA-N 436.581 5.401 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)C(F)(F)F 2331104305 HEUINRWUSNALDP-UHFFFAOYSA-N 426.337 5.066 30 10 IKEE O=C(Cc1ccc(F)cc1F)Oc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1Cl 2331122886 YAERZXMEWYKBEU-UHFFFAOYSA-N 447.264 6.316 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(SCc2ccccc2)nnc1-c1ccco1 2331205342 IELSVQZXVSGWQM-UHFFFAOYSA-N 440.528 5.874 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2C(C)(C)C)c1 2331397444 DAORTWAJKWDELK-UHFFFAOYSA-N 436.625 6.156 30 10 IKEE CCOc1cc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CCC2)ccc1O 2331529185 NIQFFVZLKAPAOI-UHFFFAOYSA-N 442.972 5.478 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OC(=O)Cc1ccc(F)c(C)c1 2331569459 BKRXNYYNHXDPAD-UHFFFAOYSA-N 440.417 5.465 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1[N+](=O)[O-] 2331595549 GMHWIERXFZATOH-UHFFFAOYSA-N 445.471 6.379 30 10 IKEE COCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc(C(C)C)cc1 2331611969 LCLUTODKUKDHJF-UHFFFAOYSA-N 449.407 6.029 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1ccc(C)cc1 2331653412 ALVFBCLAUAHJSE-UHFFFAOYSA-N 442.555 6.743 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1cncc(C)c1 2331653768 JQWVWSJLCOOGPN-UHFFFAOYSA-N 443.543 6.138 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)Cc1ccc(C)cc1 2331708700 MAGJTUUAXRDBFU-UHFFFAOYSA-N 428.528 6.055 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)cc3)c(OC)c2)cc1C 2331854653 KCFPJZOFOFGVLK-UHFFFAOYSA-N 448.490 5.504 30 10 IKEE C=C1C[C@H](OC(=O)c2ccccc2)[C@@H]2[C@](C)(CO)CCC[C@]2(C)[C@@H]1CCC(C)=CCO 2333186704 WGSYIFPPMZUQAN-XCYZDHOTSA-N 426.597 5.312 30 10 IKEE CC(C)[C@](C)(CNC(=O)OC(C)(C)C)Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339537717 XGNAXZPRCDTWEN-DEOSSOPVSA-N 445.413 5.078 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)cc(COC)c1 2362290644 LFUYRTOEOBOQAH-RTBURBONSA-N 441.410 5.106 30 10 IKEE CC#CCN(C[C@@H](NCCC)c1c(F)cc(Br)cc1F)C(=O)OC(C)(C)C 2363122178 KDEVKZKBDLFQLP-QGZVFWFLSA-N 445.348 5.028 30 10 IKEE C=CCN(CC(=O)N(Cc1ccc(F)cc1)Cc1ccc(C)s1)C(=O)CC(C)(C)C 4806922 CQFIZFFEMRHTBS-UHFFFAOYSA-N 430.589 5.175 30 10 IKEE COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(O)c2)c1 20885924 SUFALLPTWOQKNW-CBZJRKILSA-N 442.515 5.389 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(F)ccc2F)cc1 21239715 QQMCVWVSURYBHU-CBZJRKILSA-N 446.497 6.343 30 10 IKEE CC(C)COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(C(C)(C)C)cc2)cc1 21260601 XBLRCKXUCVUEMN-QPPBQGQZSA-N 445.603 6.023 30 10 IKEE CCc1c(C(=O)Nc2cccc(C#Cc3ccccn3)c2)cnn1-c1cccc(Cl)c1 24876933 WBXBFSLJKUROHT-UHFFFAOYSA-N 426.907 5.135 30 10 IKEE Cc1ccc(/N=C2/NC(=O)S/C2=C\c2ccc(-c3cccc(Cl)c3Cl)o2)cc1C 33568042 NAWSXDJCCRKQLZ-ODLFYWEKSA-N 443.355 7.398 30 10 IKEE O=C1/C(=C\c2cc(Br)cs2)CCC/C1=C\c1cc(Br)cs1 34145388 KGCRDLSSNNHMBD-WIZYTBDYSA-N 444.213 6.555 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)c1ccc(-c2ccccc2)cc1 34954953 BJIMPLQEEVGIRP-UFWORHAWSA-N 438.910 7.122 30 10 IKEE Cc1occc1C(=O)Nc1cccc(C(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 39850958 CYLHDNQTQWAZLW-PKNBQFBNSA-N 442.427 5.905 30 10 IKEE Cc1cccc(/N=C2/S/C(=C\c3ccccc3OCc3ccccc3Cl)C(=O)N2C)n1 39863216 AFUCSRLFVLYWHN-WSUVFPRVSA-N 449.963 5.856 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2)[C@H]1c1cccc2ccccc12 40077856 ZOAASJQLDXXKQS-XMMPIXPASA-N 429.516 5.617 30 10 IKEE CCCCCn1c(O)c(C(=O)c2sc3cc(C)ccc3c2Cl)c(C)c(C#N)c1=O 40522428 MPNGHBWIIJZYSJ-UHFFFAOYSA-N 428.941 5.332 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3cccc(Cl)c3)n2)cc1 59019720 RMFSNSICHPWIMY-XMTZNVEYSA-N 442.976 5.148 30 10 IKEE O=C(Nc1ccc(F)cc1)[C@H]1CC(=O)N(Cc2cccs2)/C(=N/c2ccccc2)S1 59108893 MWRKCDNGVHFKEV-IPQBESIJSA-N 439.537 5.048 30 10 IKEE CCCCCCCCCCCCCCCCCCOC(=S)N[C@@H]1CCS(=O)(=O)C1 59568234 VLDCSFPNTXCRKY-JOCHJYFZSA-N 447.751 6.326 30 10 IKEE COc1ccc(-c2nc(SC)nc(Nc3ccc(Cl)cc3Cl)c2C#N)cc1OC 62039792 WHTYFJYCFAEABD-UHFFFAOYSA-N 447.347 5.805 30 10 IKEE C=CCOc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccc(OC)cc2)cc1 64796799 ODHZOJUKEUOJOL-GOSISDBHSA-N 435.501 5.161 30 10 IKEE CCCCn1c2ccccc2c2nnc(N/N=C/c3ccc(OCCC)c(OC)c3)nc21 64981356 PWAAREOIAFYJBA-PCLIKHOPSA-N 432.528 5.023 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)CNc1ccc(N(C)C(C)=O)cc1 100059239 PDDDTULUHPPPBU-UHFFFAOYSA-N 445.692 6.679 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2cccc(OCCc3ccccc3)c2)cc1 100253083 CORJAGGXVYLUGV-UHFFFAOYSA-N 431.576 6.910 30 10 IKEE CCCCCCCCn1c([C@H](C)NC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21 102223280 UJFRQGKNPVCZMX-IBGZPJMESA-N 437.584 5.905 30 10 IKEE CCCCCCCCCCCC(=O)Nc1sc(C(=O)OCC)c(C)c1C(=O)OCC 105628871 AXYSJLKFYFWVNW-UHFFFAOYSA-N 439.618 6.269 30 10 IKEE COc1cc(Br)c(Oc2cccc(SC)c2C#N)cc1Br 136721819 LQOXKOCJHQGTCB-UHFFFAOYSA-N 429.133 5.606 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(Oc3ccc(Cl)cc3)cc2)NC(=S)N1C 169935513 HUVZNUXYDHJWHT-QHCPKHFHSA-N 448.975 6.150 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccccc2OC)c1 169941211 IIWVFXBEDILUMK-XMMPIXPASA-N 443.499 5.104 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccc(O)cc2)c1C 169960791 XEPDSYTXPWTEOV-XMMPIXPASA-N 438.483 5.273 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@@H]1c1cccs1)c1cc2ccccc2o1 169983364 BEFUOCDQHYUBGT-OAQYLSRUSA-N 445.452 5.006 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2cccs2)s1 169984479 DWFIGEDTWIGRPR-QGZVFWFLSA-N 444.965 5.566 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1cccs1)c1cccc2ccccc12 169985414 HQZDFQYDSXHLEH-QFIPXVFZSA-N 445.927 6.338 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2cccs2)ccc1F 169989510 MNGZTRCAGFIEKD-OAQYLSRUSA-N 439.483 5.156 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)ccc4[nH]3)[C@@H]2c2ccccc2)cc1 170055947 UJWNCOBPIJADCL-HSZRJFAPSA-N 437.499 5.217 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2ccccc2F)cc1 170069537 DQDNGERCMCRSNC-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2c[nH]c3ccccc23)c(C)c1 170078160 GAPFYNVRCORUOW-XMMPIXPASA-N 444.531 5.396 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(O)cc2)cc1C 170133197 JLKNGKHNBMKXPL-XMMPIXPASA-N 443.499 5.191 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cccc(C)c1 170145209 KIPAXBJRMCWUKY-JOCHJYFZSA-N 439.939 5.568 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccc(OCC(C)C)cc1 170167170 MMFQQJXWGVLGEB-QHCPKHFHSA-N 432.520 5.191 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccccn1 170173466 XBMGPPBHRXFLHI-OAQYLSRUSA-N 448.906 5.143 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccccc2)cc1 170224815 VXRXFHWNVLHSCE-DEOSSOPVSA-N 443.499 5.265 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccc2)ccc1Cl 170228659 AIFWQTOMSQYDDV-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(F)cc1)c1cccc2ccccc12 170237364 XZHQPFMDNYZIHG-HSZRJFAPSA-N 443.499 5.819 30 10 IKEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(C4CCCC4)[C@H]3c3c[nH]c4ccccc34)ccc2O1 170256598 QGEHILPXZAMNGR-MYYSRTQBSA-N 442.515 5.012 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccc(O)c2)c1 170258479 VLQFCUHTQLZDFQ-HSZRJFAPSA-N 425.440 5.230 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2C2CCCC2)cc1 170268510 VQVFVRSBNJXNRJ-XMMPIXPASA-N 433.548 5.557 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@@H]1c1ccco1)c1ccc2c(c1)CCCC2 170287235 NQXHSYQOEUYXLO-AREMUKBSSA-N 449.506 6.095 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1c(C)[nH]c2ccccc12 170311875 VBPRMKOOXJQNIC-HSZRJFAPSA-N 428.488 5.601 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1C1CCCCC1 170317435 KGRFSAPXNSRBKL-OAQYLSRUSA-N 439.577 5.755 30 10 IKEE COc1cccc(C=NNc2ccc([N+](=O)[O-])cc2)c1OCCCOc1cc(C)cc(C)c1 254304139 UIXVBPAIQWXJRH-UHFFFAOYSA-N 449.507 5.514 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 526517765 VRXLXNVERJDYQQ-RUZDIDTESA-N 438.527 5.922 30 10 IKEE CCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccc(N(CC)CC)cc1 526811630 PGSLCKQIZJNBQI-IWIPYMOSSA-N 428.005 5.515 30 10 IKEE CCn1c(C)c(/C=N\n2cnnc2SCc2ccc(Cl)cc2Cl)c2ccccc21 526823715 OWKBGWOWOWNROZ-GATIEOLUSA-N 444.391 6.042 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(CC#N)c2ccc(OC(F)(F)F)cc2)cc1 586235905 HSUNGRCTFZEEKH-UHFFFAOYSA-N 440.487 5.427 30 10 IKEE C=CCN(CC=C)C(=O)Nc1cccc(C(=O)Nc2cccc(C(=O)OCCCC)c2)c1 586673244 NBYQXZLDCUFYQP-UHFFFAOYSA-N 435.524 5.102 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@]1(C#N)CCc2c(Br)cccc21 698850480 JSZBFZPLPVBKET-NRFANRHFSA-N 431.305 5.695 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698858040 VPYAVNIDKOHNRX-CJFMBICVSA-N 449.636 6.018 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@H](NC(=O)OC(C)(C)C)C1 724031477 XYJDQMPQLGLTAD-BXKMTCNYSA-N 445.560 5.166 30 10 IKEE CC(=Nn1c(-c2ccc([N+](=O)[O-])cc2)csc1=NC1CCCCC1)c1ccc(C#N)cc1 885859859 SCQWOICQRWYFGQ-UHFFFAOYSA-N 445.548 5.502 30 10 IKEE C/N=C1/S/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C(=O)N1C 1084055693 SCAJNEYVTVEYFR-AUNKUFDMSA-N 430.360 5.528 30 10 IKEE C/N=C1\S/C(=C\c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C(=O)N1C 1084055695 SCAJNEYVTVEYFR-XUYYCWMVSA-N 430.360 5.528 30 10 IKEE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cccc3ccccc13)CC2=NOC(=O)c1ccccc1 1772722336 DJJCCELWLYHBCA-IZLXSDGUSA-N 440.543 6.208 30 10 IKEE Cc1nnc(N=C2S/C(=C\c3cn(C)c4ccccc34)C(=O)N2C2CCCCC2)s1 1772734921 DQKSZJCEUSRYGI-OCFWRVAFSA-N 437.594 5.275 30 10 IKEE COc1cccc(/C(C)=C2/SC(=Nc3nc(C)cs3)N(C3CCCCC3)C2=O)c1 1772735902 HRXUUSVLSBSLRZ-VBBMDASPSA-N 427.595 5.787 30 10 IKEE N#Cc1ccc(COc2cccnc2NC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1 1858866725 WIQVCEGJZBPGCQ-UHFFFAOYSA-N 447.709 6.136 30 10 IKEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)Sc3nc(-c4cccs4)cs3)cc21 1860808011 ZMWNONBHBBKYNR-ZDUSSCGKSA-N 442.587 5.147 30 10 IKEE CN(C)c1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccccc2)cc1 1862433371 AKCFEFLDHHBDSW-QHCPKHFHSA-N 446.934 5.185 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862445505 XGJJKYGDWGGZLN-QHCPKHFHSA-N 431.919 5.681 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccccc1F)c1c(F)cc(F)cc1F 1862456996 FTSMNBWIEAYLFV-IBGZPJMESA-N 447.409 5.083 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(C(C)(C)C)cc1 1862461945 QYCREBYMLZHCGM-HXUWFJFHSA-N 429.438 5.166 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCCCCC2)cc1O 1862480267 BSLBROIYKVFHOY-XMMPIXPASA-N 449.547 5.400 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2cccc(F)c2)c1 1862489175 RALJFBCNIXPPJE-XMMPIXPASA-N 433.523 5.911 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(Br)cc1 1862496483 LKALUKQNKKQAFG-HXUWFJFHSA-N 442.353 5.444 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2ccc(F)cc2)cc1 1862529904 LACLESUTVUIKDX-DEOSSOPVSA-N 429.491 5.475 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(F)cc1 1862590623 MDIOWZFFNWWQHS-KNQAVFIVSA-N 425.500 5.469 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(N(C)C)cc1 1862617183 VDSGDBGAKBEWDU-HSZRJFAPSA-N 434.580 5.429 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C2CCCCC2)c1 1862682094 KOABJEKRPPPAQH-HSZRJFAPSA-N 437.511 5.526 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc(O)c1 1862687294 ITANNBIPBLINPV-AUSIDOKSSA-N 437.536 5.338 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 1862740997 JQFRTZYUNUVYFI-NRFANRHFSA-N 448.862 5.027 30 10 IKEE CCOc1ccccc1NC1=C(c2ccc(Cl)cc2)C(=O)N(c2cccc(C#N)c2)C1=O 1862798644 PHAALSMXTXGIJE-UHFFFAOYSA-N 443.890 5.007 30 10 IKEE Cc1cc(C)cc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3ccccc3C#N)C2=O)c1 1862803986 LFLAANPLHUQTFM-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE Cc1cccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(OC(C)C)cc3)C2=O)c1 1862984854 JSZNFJVOELGHPC-UHFFFAOYSA-N 437.499 5.051 30 10 IKEE Cc1ccc(C)c(NC2=C(c3ccccc3Cl)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1863076284 GHGUIIGYUAOPFV-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CCCC[C@H](NC(=O)C[C@H](c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1ccccc1C#N 1866723158 BUAPSPHXRALQEK-ZCYQVOJMSA-N 431.580 5.373 30 10 IKEE N#Cc1nnn(Cc2ccc(Cl)c(Cl)c2)c1NC(=O)c1ccc(-c2ccccc2)cc1 1870105426 SCHQQBSVCNBQRO-UHFFFAOYSA-N 448.313 5.424 30 10 IKEE CC(C)c1cc(C(C)C)cc(-n2nnc(C#N)c2NC(=O)c2cc(Cl)ccc2Cl)c1 1870153834 IQDQZTXPLQDIDF-UHFFFAOYSA-N 442.350 5.945 30 10 IKEE CCCCCCCCn1cc(OCc2c(C)cccc2C)c(=O)cc1CN(CC)CCO 1870490462 WVJUZMWVDAJYGG-UHFFFAOYSA-N 442.644 5.219 30 10 IKEE CCCCCCCCn1cc(OC)c(=O)cc1CN1CCN(c2ccccc2Cl)CC1 1870555174 SWQCXAYVFTYROA-UHFFFAOYSA-N 446.035 5.193 30 10 IKEE Cc1ccc(CCN2COc3c(cc4c(c3C)O/C(=C\c3sccc3C)C4=O)C2)cc1 1871359696 WEGHNOSNMRBUIT-XKZIYDEJSA-N 431.557 5.684 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4cccc(OC(C)C)c4)cc(C)c3C2=O)cc1 1871388511 ZOFFXAXYJMGKRI-CFRMEGHHSA-N 428.484 5.926 30 10 IKEE Cc1c(OC(=O)CCc2cccs2)ccc2c1O/C(=C\c1ccc(N(C)C)cc1)C2=O 1871392104 PFYZGYRKWRMWCI-JCMHNJIXSA-N 433.529 5.277 30 10 IKEE CC1(C)C[C@H]2C[C@@](C)(CN2Cc2c(O)ccc3c2O/C(=C\C=C\c2ccccc2)C3=O)C1 1871394083 BUBHXSBMIZKGCX-DRVKKLEQSA-N 429.560 5.965 30 10 IKEE Cc1ccc(OCCCCOc2cc(C)c3c(c2)O/C(=C\c2sccc2C)C3=O)cc1 1871404342 JFFGSDUTPAZJPO-KQWNVCNZSA-N 434.557 6.528 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871408779 TZRYAMOPAAPCCX-NQRZERFFSA-N 447.918 5.979 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccccc2)C3=O)c1 1871412684 ZBKXOMOEWQPVLR-YPFLROGLSA-N 427.500 5.634 30 10 IKEE CC(=O)c1cccc(NC(=O)COc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)c1 1871438855 VHAWGWBSVHKJJY-RDGJJYRMSA-N 439.467 5.079 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(F)c(F)c2)ccc2c1O/C(=C\c1cccc(F)c1)C2=O 1871442630 AUZKQHSFBBXWPH-FBHDLOMBSA-N 439.389 5.046 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O)NCc1ccccc1Cl 1871448068 JLPYRGKYVJLTDH-LMKPGGDOSA-N 445.902 5.208 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccc(C)c(C)c4)c3C)C2=O)c1 1871459964 NUCVLICDUOLSHJ-OYKKKHCWSA-N 427.500 5.554 30 10 IKEE CC(C)(C)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 1872759686 WIABPIZYIMMEPJ-XMMPIXPASA-N 436.580 7.265 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(F)cc3F)cs2)cc1OC 1872766087 BVVZZKFWNARUTL-IOMDMTNGSA-N 440.471 5.385 30 10 IKEE COc1ccc(OC)c(/C=C/C(=O)[C@H](C#N)c2nc(-c3cc(C)ccc3OC)cs2)c1 1872771445 UYSXHTCZWKKBEF-FNQPIQQGSA-N 434.517 5.034 30 10 IKEE N#C[C@H](C(=O)Cc1ccc(F)cc1F)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872779364 IGQYNDZCRXBJOY-OAQYLSRUSA-N 446.478 6.300 30 10 IKEE CCCOc1ccc(CC(=O)[C@H](C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc1 1872780407 HQCUQIGAOMTYEP-NRFANRHFSA-N 434.561 5.643 30 10 IKEE COc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1OC 1872785411 MIITWBDTKBBXCX-HXUWFJFHSA-N 448.588 5.852 30 10 IKEE CCCCCCCCNC(=O)c1cccc(COc2ccc(-c3ccc(C)cc3)cc2)c1 1872833749 YOSDUVKELULBFN-UHFFFAOYSA-N 429.604 7.331 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2Cl)C(=O)N([C@H]2CCCC[C@H]2C)C1=O 1873032391 QTYKKGXGLLOLJN-NQIIRXRSSA-N 431.020 5.949 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2[C@@H](C)CC)=C(c2cccs2)C1=O 1873405825 XWYJTLPFURFZQM-IBGZPJMESA-N 438.637 6.814 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(OC(C)C)cc2)=C(c2ccccc2)C1=O 1873415365 OLOKOVJZKFJXMH-UHFFFAOYSA-N 434.580 6.026 30 10 IKEE N#Cc1nc(-c2cccs2)oc1N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 1873461999 IZJPFVKWVMYRKN-DHRITJCHSA-N 434.908 5.953 30 10 IKEE CCOc1cc(/C=N/Nc2nc(C)cc(C)n2)ccc1OCc1ccc(Cl)cc1Cl 1873496892 BLNUIEBYNYBSHT-BRJLIKDPSA-N 445.350 5.824 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Br)cc2)cc2c(NCCC(C)C)ncnc21 1873611326 UTSNMTFLZLLENG-UHFFFAOYSA-N 442.361 5.090 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCC)n1/N=C/c1ccc(Cl)cc1 1874227000 OIXRIGDFFNULPV-OEAKJJBVSA-N 428.945 5.070 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(OC)cc2)n1/N=C/c1ccc(Cl)cc1 1874291942 DGAAESBSRDIIEK-FSJBWODESA-N 428.945 5.070 30 10 IKEE C=C(C)CSc1nnc(COc2c(C)cccc2C)n1/N=C/c1cn(C)c2ccccc12 1874299684 NKXQKXTUARNLSX-LGJNPRDNSA-N 445.592 5.516 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1c[nH]c2ccccc12 1874327269 FWCIRLHPJCYVCF-LGJNPRDNSA-N 431.565 5.506 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3F)n2/N=C/c2ccc(O)cc2)cc1 1874373341 OWEMRNLKEISLDK-CVKSISIWSA-N 432.524 5.197 30 10 IKEE CCc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccc(F)cc2)cc1 1874406811 WSOJYTAPPGVCPE-WPWMEQJKSA-N 436.600 6.277 30 10 IKEE O=C(O)c1ccccc1/C=N/n1c(CC2CCCCC2)nnc1SCCc1ccccc1 1874408233 MHSLOLNSFGHQHN-NLRVBDNBSA-N 448.592 5.316 30 10 IKEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(CC)cc3)nnc2C(C)(C)C)cc1 1874483953 WCHXIOZJQXTJET-WGOQTCKBSA-N 449.624 5.313 30 10 IKEE Cc1cccc(/C=N/n2c(CC(C)C)nnc2SCC(=O)Nc2cc(C)ccc2C)c1 1874486439 RMRQGEGQDBDTSN-AFUMVMLFSA-N 435.597 5.015 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2C2CCC2)cc1 1874494789 ZQARZYZZTNKSNO-WGOQTCKBSA-N 437.588 5.705 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(SCc2ccccc2F)nnc1C1CCC1 1874496120 WBSNVVBUQHNMJP-JFLMPSFJSA-N 446.551 6.021 30 10 IKEE COCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(C(C)C)cc1 1874505699 UOXMTLAIJUFOQX-BHGWPJFGSA-N 432.952 5.515 30 10 IKEE Cc1ccccc1CSc1nncn1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874536019 IIVAQGWGOOCZAB-MZJWZYIUSA-N 448.979 5.993 30 10 IKEE CSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccccc1F 1874542241 PYDWCKVNRGOUMO-ZMOGYAJESA-N 432.952 5.303 30 10 IKEE COc1cccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2c(C)cccc2C)c1 1874573527 SFRXRSCCJYLNNR-CCEZHUSRSA-N 445.515 5.234 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccccc2)c1OCC(=O)Nc1ccccc1C 1874578648 ZFVFIIOMFKPFCK-OUKQBFOZSA-N 435.907 5.571 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2c(OCc3ccccc3C)ccc3ccccc23)cc1 1874579826 KQLKCGJGBZOXPB-ISLYRVAYSA-N 436.551 7.412 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2cc(C)ccc2C)cc1F 1874582196 BIKQEFBMVODMHM-ZRDIBKRKSA-N 433.479 5.365 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCCc2ccccc2)c2ccccc12 1874591959 KREZIVMCPCIRFO-SDNWHVSQSA-N 442.942 7.019 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(OC)c1OCCc1ccccc1 1874609238 GJJSVANQULUQDN-LFIBNONCSA-N 428.528 5.950 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OCC(=O)N[C@H](C)c1ccccc1 1874617767 SKARQKPJISASAA-QGFLDLQWSA-N 443.543 5.464 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OCC(=O)Nc1ccccc1 1874622381 FDEWZZWFPUNHRN-MHWRWJLKSA-N 443.543 5.906 30 10 IKEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1[N+](=O)[O-] 1874634993 CIRWGHNLWIETKD-DHZHZOJOSA-N 438.524 5.002 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)C(F)(F)F)c2)cc1 1874708553 IYYDVCXHVSBVDR-XNTDXEJSSA-N 434.454 6.400 30 10 IKEE CCCOc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C(C)C)cc3)c2)cc1 1874709552 HCXWWBKBNWQYKE-LICLKQGHSA-N 442.555 6.643 30 10 IKEE CCCCCCCCC(=O)Oc1cccc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)c1 1874717095 YLJZNIYDEDWNBM-FYWRMAATSA-N 428.956 6.901 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCc3ccccc3)c2)c2ccccc12 1874718812 XPDVDVXYSORXLJ-SAPNQHFASA-N 436.507 6.283 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(OC)c1OC(=O)CCCSC 1875115131 NVKVAWSFKWKKDO-NTEUORMPSA-N 440.561 5.377 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccccc1Cl 1875122317 XRIRMEFVHCKFGY-ZRDIBKRKSA-N 441.310 6.507 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(OC)cc3)cc2)cc1 1875136261 GPNBXDPUIVHQEA-CAOOACKPSA-N 430.500 5.528 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)c1cccc(F)c1 1875141256 VHFODJBZSQTDGD-JXMROGBWSA-N 438.426 5.406 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)c1cc(Cl)ccc1Cl 1875159212 HLPDVGOGPCSFOA-WTDSWWLTSA-N 445.273 6.256 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cc(Cl)c(OC(=O)C(C)C)c(OC)c2)cc1C(C)C 1875163593 SORLOWGRXIVJFF-CMDGGOBGSA-N 444.955 6.247 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)c(OC)cc2OC)ccc1OC(=O)CC(C)C 1875174256 HXTAGGWBWCULFA-VQHVLOKHSA-N 446.927 5.604 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OC 1875184882 VXPHLQYVEWTCPD-ZRDIBKRKSA-N 444.527 5.673 30 10 IKEE CC[C@@H]1CC[C@@](C#N)([C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1 1875690002 OPOAPKQUMPFCCP-MXUAVAHLSA-N 441.571 6.598 30 10 IKEE C[C@@H]1CCC[C@@](C#N)([C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1 1875690581 WFHCOLOJTFWGCX-RNOQYBQRSA-N 441.571 6.598 30 10 IKEE Cc1sc(NS(=O)(=O)c2ccccc2C#N)nc1-c1ccc(-c2ccccc2)cc1 1892110791 ALZKYSNPVGXFFF-UHFFFAOYSA-N 431.542 5.458 30 10 IKEE C=C(COCc1ccccc1)[C@H](CCc1cnc(NC(=O)OC(C)(C)C)s1)NCC 1922104025 POUXNMBRDHWRPW-FQEVSTJZSA-N 431.602 5.174 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCCC2(CCC2)[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCC1 1924833155 UDQILQLEHQBZBK-IQGLISFBSA-N 447.620 5.533 30 10 IKEE C[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)CCN1Cc1ccccc1 1949367072 PADNQABCFULADU-KBMIEXCESA-N 439.987 6.028 30 10 IKEE CCCCCCC[C@H]1[C@@H](C(=O)O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21 1952782855 XGMNKVMTAVWSNR-ZCYQVOJMSA-N 435.564 6.071 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(CC)CCCCN1C(=O)OC(C)(C)C 2007550085 HFULMLPSFICTSP-OZXSUGGESA-N 430.633 5.697 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1ccc(Cl)c(Br)c1F 2035952944 GGKTVFVYUBKCQW-CJNGLKHVSA-N 435.765 5.362 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)C2(C#N)[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)C3)c1 2042140482 FKKHIUOYMDPDJA-OALUTQOASA-N 441.572 5.276 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CC[C@@H](C)C[C@@H]1OCc1ccccc1 2043774858 NIKNLXHUMQFHQP-MHLNXUHPSA-N 434.580 6.404 30 10 IKEE C=CCN(C[C@@H](Cc1cc(Cl)cc(Br)c1)NCC)C(=O)OC(C)(C)C 2047967415 JAHXAXLOSHILJQ-QGZVFWFLSA-N 431.802 5.046 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C2(CC2)C1 2065973337 MZYYTLKOEUWOPW-RUZDIDTESA-N 447.620 5.630 30 10 IKEE CCCCCCCC[C@H](N)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071266568 GHZQCMJPGJDHKH-MHZLTWQESA-N 431.620 7.595 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]2CN(C(=O)OC(C)(C)C)C(C)(C)C2)c1 2073119575 RZWQOZYHOXEEGH-AZUAARDMSA-N 443.588 5.664 30 10 IKEE CCCc1ccc([C@@H](C2CC2)n2nc(C(F)(F)F)c(C=NO)c2Br)cc1 2079907385 HKAPKRALBOUTGN-HNNXBMFYSA-N 430.268 5.424 30 10 IKEE CC[C@H](c1ccc(C(F)(F)F)cc1)n1nc(C(F)F)c(C=NO)c1Br 2079934992 MKIORZDAZKDPLJ-LLVKDONJSA-N 426.183 5.410 30 10 IKEE CCCN[C@@](C#N)(C[C@H](C)CC)CN(CCN(C)Cc1ccccc1)Cc1ccccc1 2086484959 SJTHCATYCDGEGT-LEAFIULHSA-N 434.672 5.319 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)c(Cl)c1 2103300371 OTAVNNRYAVDGQU-ZWKOTPCHSA-N 443.813 5.450 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Br)ccc1Cl)NCCC 2110500704 LIZNXILNMSGLDQ-MSOLQXFVSA-N 445.829 5.483 30 10 IKEE CC(C)(C)OC(=O)N1Cc2cccc(Nc3ccc(C#N)c(Br)c3F)c2C1 2162399436 IEWCDVZJNQVIIL-UHFFFAOYSA-N 432.293 5.454 30 10 IKEE N#Cc1ccc(Br)cc1N1CCCCN(Cc2ccccc2)CC(F)(F)C1 2164877218 TXVWBKKNFOGGEX-UHFFFAOYSA-N 434.328 5.058 30 10 IKEE CC(C)N(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cc(Br)cc(C#N)c1 2174812031 GEXNSDXUULHHJB-INIZCTEOSA-N 436.394 5.183 30 10 IKEE CC1(C)CCCN(Cc2ccccc2)[C@H]1CNc1ccc(C#N)c(Br)c1F 2184356823 YBNDFTLTHCWNAM-IBGZPJMESA-N 430.365 5.563 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCCC)c2ccc(Br)c(C)c2)C1 2192083474 MDSIQXARAVKTOO-LJQANCHMSA-N 437.422 5.659 30 10 IKEE C#CC[C@@H](CN(CCCNC(=O)OC(C)(C)C)c1cccc(Br)c1)C1CC1 2196731172 FFLUDQSVLCUTGJ-SFHVURJKSA-N 435.406 5.220 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(Cc2c(Br)sc3ccccc23)C1 2224755854 QVUPVVIECWAKHN-HXUWFJFHSA-N 435.387 5.747 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C#Cc1ccccc1Br)NCCC 2235733772 UTGKYMPNEPIEDY-WOJBJXKFSA-N 435.406 5.028 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)C[C@@H](CC)CNC(=O)OC(C)(C)C 2235747043 MXZSJGOEHTZAEW-MJGOQNOKSA-N 437.422 5.110 30 10 IKEE CN[C@@H](C#Cc1ccc(C)cc1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2239651376 ABEHIQUOKBEZIV-LJAQVGFWSA-N 447.578 6.465 30 10 IKEE C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1 2247909226 GXPKKSRYUYUZQB-SFHVURJKSA-N 425.403 5.854 30 10 IKEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N(Cc1ccccc1)[C@@H](C)C(C)(C)C 2267231058 WXNRGYRZSHCEKU-FQEVSTJZSA-N 435.417 5.371 30 10 IKEE CC1(C)CCC(NC(=O)OC(C)(C)C)(C(=O)C#Cc2ccc(Br)cc2)CC1 2296285717 DDNOWVATHOTWEH-UHFFFAOYSA-N 434.374 5.233 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CC[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2313030554 KBGQXZSQAGWLRP-OFHLLDISSA-N 447.620 5.532 30 10 IKEE CCN1C(=O)C(=C(C)c2ccc(Br)cc2)SC1=Nc1cccnc1Cl 2314539948 FLDRTYFNFLTZFQ-UHFFFAOYSA-N 436.762 5.512 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(F)c(C)c2)c1OCC(=O)OCC(C)C 2322634438 AMGZHYAUTXFEEV-UHFFFAOYSA-N 434.891 5.270 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(Cl)ccc1OCC(=O)Nc1nccs1 2322646563 UCBHEVNFOGUNTC-UHFFFAOYSA-N 442.924 5.027 30 10 IKEE O=C(C=Cc1cccc(OCc2c(Cl)cccc2Cl)c1)c1ccc2ccccc2c1 2323047546 SQKQMSXLCQXKNU-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE Cc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc2c1C(=O)C(=Cc1ccccc1Cl)O2 2323141856 QYJYTLOANJSXOR-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE Cc1c(OC(=O)Cc2cc(Cl)ccc2Cl)ccc2c1OC(=Cc1ccccc1)C2=O 2323404440 LNYWSBHGTDQAAO-UHFFFAOYSA-N 439.294 6.066 30 10 IKEE CCCCC(=O)Oc1ccc2c(c1C)OC(=Cc1cn(CC)c3ccc(OC)cc13)C2=O 2323743521 DODBSSFFOJJXEK-UHFFFAOYSA-N 433.504 5.690 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1OC 2323777591 KUEWSSWVCZTVQF-UHFFFAOYSA-N 429.944 5.272 30 10 IKEE COc1ccc(C=NNc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1Br 2323840123 NMSXULZKUYFZSU-UHFFFAOYSA-N 448.342 5.044 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Cl)c1OCC(=O)Nc1ccccc1 2323852182 OLDSCQQGZXGOEB-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OCC(=O)Nc1cc(C)ccc1C 2324196888 VHMVVBDAYGYUOZ-UHFFFAOYSA-N 447.506 5.755 30 10 IKEE CCCOC(=O)COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc1OC 2324234312 CJJPTDTTXYIQKE-UHFFFAOYSA-N 440.536 5.229 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2)c(Br)c1)c1ccc(F)c(F)c1 2324241712 UBIQSABAICUATQ-UHFFFAOYSA-N 429.260 6.202 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)c1 2324456047 OXXZWVLILGCERU-SFHVURJKSA-N 445.490 5.773 30 10 IKEE COc1ccc(OCCCOc2ccc3c(c2C)OC(=Cc2cccc(OC)c2)C3=O)cc1 2324706085 GHVAICGEVDGXBM-UHFFFAOYSA-N 446.499 5.476 30 10 IKEE CCCCCCCCCCOC(=O)COc1ccc2c(c1C)OC(=Cc1ccco1)C2=O 2325045401 MPAPBEIPSKOFHV-UHFFFAOYSA-N 440.536 6.267 30 10 IKEE COc1ccc(C=C2Oc3cc(OCC(=O)Nc4cccc(Cl)c4C)ccc3C2=O)cc1 2325051800 OIQSQSUUWWWTPI-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1OC(=O)Cc1ccccc1F 2325690490 KMNLARRYBGOYES-UHFFFAOYSA-N 440.470 6.032 30 10 IKEE O=C(C=Cc1cccc(OC(=O)[C@H]2C[C@H]2c2ccccc2Cl)c1)c1ccc(F)cc1F 2325726449 WADLHPYURPGDCY-SFTDATJTSA-N 438.857 6.223 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OC(=O)CCc1ccc(Cl)cc1 2325735518 ZXIWBDVZARADDR-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE Cc1cc(C)c(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)c(C)c1 2325736539 CKMCZRCHABPUIG-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OC(=O)c2ccc(OCC(C)C)cc2)c1 2325743430 SGHMCHULQFZRKP-UHFFFAOYSA-N 444.527 6.154 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(Br)cc2)c1)c1ccc(F)cc1 2325751449 BOCODUPQKAWKOZ-UHFFFAOYSA-N 425.253 5.704 30 10 IKEE CCCSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1ccc(CC)cc1 2326341679 DHLLMPKJWICBFH-UHFFFAOYSA-N 436.625 5.799 30 10 IKEE Cc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(OC(C)(C)C)cc1 2326637367 YJKDLIFZTXYNRT-UHFFFAOYSA-N 430.577 6.092 30 10 IKEE CSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc(Cl)c(Cl)c1 2327915546 JNPOTQMOICDKQJ-UHFFFAOYSA-N 425.772 5.628 30 10 IKEE C=C(C)CSc1nnc(COc2c(C)cccc2C)n1N=Cc1ccc(N(C)C)cc1 2328556608 AEENAMPRHJOBFR-UHFFFAOYSA-N 435.597 5.090 30 10 IKEE COc1ccc(CCc2nnc(SCc3cc(C)ccc3C)n2N=Cc2ccco2)cc1 2328577357 BYKDHSZVSWUGIR-UHFFFAOYSA-N 446.576 5.456 30 10 IKEE CCOc1cc(C=NNc2ccc3c(=N)[nH][nH]c3c2)ccc1OCc1cccc(Cl)c1 2328801361 ZWHUECXLZKETSL-UHFFFAOYSA-N 435.915 5.053 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OC)cc2)n1N=Cc1c(F)cccc1Cl 2329272035 MSQYIBJYLANANK-UHFFFAOYSA-N 430.936 5.220 30 10 IKEE Clc1ccc(C=Nn2c(COCc3ccccc3)nnc2SCc2ccccc2)cc1 2329341229 LFIAAHPQHMFWEJ-UHFFFAOYSA-N 448.979 5.823 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(F)cc2)n1N=Cc1ccc(Cl)cc1Cl 2329837349 CAPJSRQDZDFFFY-UHFFFAOYSA-N 435.355 5.865 30 10 IKEE CCc1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2[C@@H](C)c2ccccc2)cc1 2330050507 HHPRKJJKYHHQSJ-NRFANRHFSA-N 440.616 6.475 30 10 IKEE Cc1ccccc1C=Nn1c(SCCc2ccccc2)nnc1[C@H](C)c1ccccc1 2330110442 NBFVPYSVFZVCMC-OAQYLSRUSA-N 426.589 5.955 30 10 IKEE C(=Nn1c(CCc2ccccc2)nnc1SCc1cccc2ccccc12)c1ccccc1 2330206942 SIOORAVUSVBNJK-UHFFFAOYSA-N 448.595 6.391 30 10 IKEE Fc1cccc(CSc2nnc(Cc3cccs3)n2N=Cc2ccc(Cl)cc2)c1 2330358818 KQNKPHPHWSKEDW-UHFFFAOYSA-N 442.972 5.897 30 10 IKEE CSc1nnc(-c2cccs2)n1N=Cc1ccccc1OCc1ccccc1Cl 2330529584 MMPRSRKKUHHVSM-UHFFFAOYSA-N 440.981 5.843 30 10 IKEE C=CCSc1nnc(-c2ccccc2)n1N=Cc1ccc(OCCCC)c(OCC)c1 2330679575 HDVPYVYCYSGVPT-UHFFFAOYSA-N 436.581 5.683 30 10 IKEE Cc1cccc(CSc2nnc(C(F)(F)F)n2N=Cc2c(Cl)cccc2Cl)c1 2331123030 TUPNJJAYSFGFEW-UHFFFAOYSA-N 445.297 6.087 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(F)(F)F)n2N=Cc2cccc3ccccc23)c1 2331138358 VLPMYJOCHSZQKV-UHFFFAOYSA-N 440.494 6.241 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)CCOc3ccccc3)c(Cl)c2)c(C)c1 2331222511 LZFOLESSTKTQEP-UHFFFAOYSA-N 434.919 6.227 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3)cc2OCC)CC1 2331282000 RLXONDRBTQDCRP-UHFFFAOYSA-N 448.603 7.192 30 10 IKEE CCCCc1nnc(SCc2ccccc2C)n1N=Cc1ccc(Cl)cc1Cl 2331322772 OIFNTXWOCSKUFE-UHFFFAOYSA-N 433.408 6.410 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1ccccc1OC 2331377228 ZLPNXSFCROGQNY-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1 2331432008 KOHGJGXLBDPWAB-UHFFFAOYSA-N 436.463 5.613 30 10 IKEE Cn1c(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCO4)cc2)cc2ccccc21 2331434689 MZCJQWOOFNVLAK-UHFFFAOYSA-N 425.440 5.022 30 10 IKEE Fc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C2CCC2)c(F)c1 2331547773 SIQVSGUFLKKXMT-UHFFFAOYSA-N 436.890 5.791 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)[C@H](C)c1ccccc1 2331657814 RFMFQNQFKXXBIY-JOCHJYFZSA-N 442.555 6.534 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2cc(OCC)ccc2OCC)cc1OC 2331685233 YUIOSAMJTWEFDS-UHFFFAOYSA-N 426.509 5.484 30 10 IKEE CCOc1cc(C=Nn2c(SCC)nnc2C2CC2)ccc1OCc1ccc(C)cc1 2331738944 CEQBXTCTQSKPIF-UHFFFAOYSA-N 436.581 5.436 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccccc2)c(Cl)c1 2331792704 HAGKPUZZTFDPJG-UHFFFAOYSA-N 432.947 7.061 30 10 IKEE Clc1ccc(/C=C/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)cc1 1946594 PSOZKQIGMSJVFV-ZOMGDLOTSA-N 427.718 7.871 30 10 IKEE CC1C/C(=C\c2ccccc2Br)C(=O)/C(=C/c2ccccc2Br)C1 6172524 DPCPTISPIMFHIU-PWDIZTEBSA-N 446.182 6.678 30 10 IKEE COc1ccc(C(=O)C[C@H]2S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1 15055143 KEHBYNGCHFUSBQ-IHZKLZTASA-N 444.556 5.721 30 10 IKEE COc1ccccc1CSc1nnc(N/N=C/c2cccc(Oc3ccccc3)c2)[nH]1 20274882 VVIXGPBRZKRBEM-BUVRLJJBSA-N 431.521 5.344 30 10 IKEE CC1(C)[C@H]2CC[C@]1(C)/C(=N\N=C1/NC(=O)/C(=C\c3ccc(Br)cc3)S1)C2 20551678 OSOWLGLZNFHGQW-CYNNFEIVSA-N 432.387 5.211 30 10 IKEE CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(C(F)(F)F)cc2)cc1 21245571 MGQPRNGSQLABSM-XLIONFOSSA-N 441.493 6.007 30 10 IKEE CCn1nc(C)c(CN/C(=N/C(=O)c2ccc(C(C)(C)C)cc2)Nc2cccc(C)c2)c1C 32971635 CUAHRBPCUVPANJ-UHFFFAOYSA-N 445.611 5.524 30 10 IKEE Cc1ccc(COc2cccc(/C=C3\S/C(=N/c4ccncc4Cl)N(C)C3=O)c2)cc1 39864199 SMDQIOFRTNHNBN-NOPZMTQPSA-N 449.963 5.856 30 10 IKEE Cc1nnc(/N=C2/S/C(=C\C(Cl)=C\c3ccccc3)C(=O)N2c2ccccc2)s1 39866465 GPKSXRUIGUZCNT-FEMMPIHVSA-N 438.965 5.778 30 10 IKEE CNC(SCc1ccc(Cl)cc1Cl)=C(C(=O)c1ccco1)C(=O)c1ccco1 40570369 DFGQFKAJPMOPPJ-UHFFFAOYSA-N 436.316 5.609 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(OC)cc4)c3C)C2=O)cc1 41285181 AMYLAIICNGWRKC-HAHDFKILSA-N 430.456 5.238 30 10 IKEE CN(Cc1ccccc1)Cc1c(O)ccc2c1O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 41514709 BMZOEJGSVLWAFX-VEILYXNESA-N 447.534 6.307 30 10 IKEE CCCCn1c([C@@H](NC(=O)c2ccc(C#N)cc2)C(C)C)nc2cc(SCCC)ccc21 43255386 ZLZIQOUUBRCILP-DEOSSOPVSA-N 448.636 6.337 30 10 IKEE C=C(C)COc1ccc(NC(=O)CNc2cccc(OCCOc3ccccc3)c2)cc1 66063271 OCLVUJOJGNDMOB-UHFFFAOYSA-N 432.520 5.150 30 10 IKEE O=C1/C(=C/c2cccc(Br)c2)SC/C1=C/c1cccc(Br)c1 96448743 SRRKCHWZJUBXCB-NTIIHBMISA-N 436.168 5.952 30 10 IKEE CCCCCCCCCCCn1c([C@H](C)NC(=O)Cc2ccccc2)nc2ccccc21 102130995 GWBPVOOFYFBHRW-QHCPKHFHSA-N 433.640 6.987 30 10 IKEE CCCCCCCCCn1c(CCCNC(=O)c2ccc(Cl)cc2)nc2ccccc21 102155286 LOMRIXBKDTYNBP-UHFFFAOYSA-N 440.031 6.803 30 10 IKEE CCCCCCCN1C(=O)[C@@H](C)Oc2ccc(-c3csc(Cc4ccccc4)n3)cc21 103755251 TUDPJUJQBBYWKX-LJQANCHMSA-N 434.605 6.485 30 10 IKEE Cc1nc2ccc(N/N=C(\C(=O)Nc3c(C)cccc3C)C(=O)c3ccccc3)cc2s1 105814008 FCKZFSCPMDBEKX-FAJYDZGRSA-N 442.544 5.511 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccc(N(C)C)cc2)cc1 169953762 XLOGLSICEZCYQA-XMMPIXPASA-N 444.506 5.291 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(C)c1 169967268 MYVZTSONFWHCHD-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2cccs2)c1 169989448 OPVASTYPGFBUKT-JOCHJYFZSA-N 435.520 5.325 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@@H]2c2ccccn2)c1 169995903 FGGUQXSPWOXSNV-RUZDIDTESA-N 434.495 5.635 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2cccs2)=C(N2C[C@@H](C)O[C@H](C)C2)C1=O 170017650 SITCQJUPEFMSGB-RTBURBONSA-N 432.630 5.078 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2cccc(O)c2)cc1C 170081586 DADBHJGMDYJACC-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@H]1c1cccs1 170158506 LPHLHVKEKUFRRT-QFIPXVFZSA-N 449.528 5.165 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2cccs2)c1 170158696 YSIPDGNDWQRJTA-QHCPKHFHSA-N 447.556 5.937 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccn2)cc1C(C)C 170181990 QWSBFJHREDZXSZ-HSZRJFAPSA-N 434.536 5.043 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1cccnc1)c1ccc2ccccc2c1 170192033 KOVFXXXOFLGUNR-HSZRJFAPSA-N 442.421 5.296 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccncc2)c1 170200400 VVUSSRVGWPAZTC-RUZDIDTESA-N 434.495 5.635 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccncc2)cc1 170202023 GPFMZBUKGZSQAW-DEOSSOPVSA-N 436.467 5.026 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccccc2)cc1C 170228222 DDHXRBPUDVUZQR-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2ccc(CC)cc2)cc1 170267994 WJCWEYPYXWXTDO-DEOSSOPVSA-N 435.564 5.806 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccc2C)c(C)c1 170273005 FNVYHEUSQFOHLT-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@@H]1c1ccccc1C 170277563 UITIPMOUJFFNSE-NRFANRHFSA-N 441.955 5.734 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccco1 170280061 RGTVDQGBDMZXRB-XMMPIXPASA-N 439.467 5.220 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)[C@H]2c2ccco2)c1 170283120 ISAZZOYRSMOASA-OAQYLSRUSA-N 433.847 5.771 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1ccco1 170284105 BDNDXGKEQUCFQL-DMZKTXOQSA-N 449.890 5.348 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cc4cc(Cl)ccc4o3)=C(O)C(=O)N2c2ccccc2)o1 170302944 UBPLUBZTPPLVIN-NRFANRHFSA-N 433.847 5.771 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2ccc(Cl)cc2)o1 170303273 XHJNIBMHRZJCLJ-FPTDNZKUSA-N 449.890 5.348 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2sccc2C)cc1C 170317671 QEVLSUGQNAYSSR-NRFANRHFSA-N 439.577 5.593 30 10 IKEE Cc1ccc(NC(=O)C[C@@H]2SC(=NN=C(/C=C/c3ccccc3)C3CC3)N=C2O)cc1 252617209 KOOIHWWTGDBETJ-DBGNQFJWSA-N 432.549 5.231 30 10 IKEE COc1ccc(/C=C2\SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc1C(=O)O 254452131 PTZNNASOLAPDOE-AQAUNXFGSA-N 430.485 5.202 30 10 IKEE CCOc1ccc(NC(=O)c2c(N=Cc3ccc(OC)cc3)sc3c2CC[C@H](C)C3)cc1 254517637 CYZPROLUPJYXBY-KRWDZBQOSA-N 448.588 6.283 30 10 IKEE COc1ccc(N=C2[C@@H](N3CCCCC3)C3(CCCCC3)C(=O)N2c2ccccc2)cc1 254833016 BLELGNIPSPWMPO-XMMPIXPASA-N 431.580 5.577 30 10 IKEE C=CCn1c(SCc2noc(CCC)n2)nc2scc(-c3cccs3)c2c1=O 513242573 ULVRZGIRDYUOLS-UHFFFAOYSA-N 430.580 5.000 30 10 IKEE Cc1ccc([C@H]2C(c3cccc(OCC(C)C)c3)=C(O)C(=O)N2c2cccc(C#N)c2)o1 526516891 PMEXNXHRMDFCMC-DEOSSOPVSA-N 428.488 5.552 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526606531 LVCPKHOZBPPKOD-XMMPIXPASA-N 442.946 6.566 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1cccc(OCCC)c1 526809220 HALWCJYHKZZKNV-ONUIUJJFSA-N 436.625 6.201 30 10 IKEE C=CCN(c1ccc(Br)c(C)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586244111 SDSQXOIOBBYUJF-UHFFFAOYSA-N 435.170 5.446 30 10 IKEE N#Cc1ccccc1NC(=O)Nc1ccc(C(=O)Nc2ccc(Br)cc2)cc1 586721890 MNVJOSSLTWHBME-UHFFFAOYSA-N 435.281 5.217 30 10 IKEE C[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)CCN1C(=O)OC(C)(C)C 698897158 YEKMRCBYYNDVDY-QMHKHESXSA-N 433.524 5.249 30 10 IKEE CCN1C(=O)COc2ccc(/C(=N/OC(c3ccccc3)c3ccccc3)C3CC3)cc21 821233469 XLKLPOQIJIPAJU-BYCLXTJYSA-N 426.516 5.352 30 10 IKEE CCC(C)=NNc1nc2cc(C)c(NC(=O)c3cc4ccccc4cc3OC)c(C)c2s1 1081377937 FJFPQBXTNBLYIN-UHFFFAOYSA-N 446.576 6.525 30 10 IKEE Cc1ccc(NC(=O)[C@H]2CC(=O)N(C)C(=Nc3cc(Cl)cc(Cl)c3)S2)c(C)c1 1084064652 CVVJBSXSRJAWLL-QGZVFWFLSA-N 436.364 5.200 30 10 IKEE Cc1ccc(S(=O)(=O)Nc2ccccc2C=Nc2c(C)ccc3nccc(C)c23)cc1 1084557390 CCAKSPCTAOQVQS-UHFFFAOYSA-N 429.545 5.711 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=Nc1ccncc1Cl 1772734351 CQHVUQQLZRHAGJ-OXMFYWCOSA-N 434.746 5.288 30 10 IKEE COc1cc(/C=C2/SC(=Nc3ccncc3Cl)N(c3ccccc3)C2=O)ccc1O 1772738725 VWUCASCRJFLQIA-RLRFCYPDSA-N 437.908 5.258 30 10 IKEE CC(C)c1ccc(CCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1 1859650365 PYLSOCUNBQPTLM-UHFFFAOYSA-N 434.539 7.180 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)c1ccc(F)c(F)c1F 1861786865 XEGHYEYVJJIKHT-LJQANCHMSA-N 428.539 5.649 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C2CCCC2)cc1 1862380223 XMUMWPSWLAFBOT-HXUWFJFHSA-N 430.331 5.823 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)cc1 1862387373 IULWBXSQHLKBGZ-VWLOTQADSA-N 425.528 5.808 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(C)cc2)cc1 1862389316 CUOLRXKJEXHPJM-ISKFKSNPSA-N 433.548 5.095 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccccc1C 1862400896 PAWKLJWIKRNIRE-PXDATVDWSA-N 449.591 6.249 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1c(F)cccc1Cl 1862406227 YFFGGFMTPMPWKX-OAQYLSRUSA-N 445.918 5.565 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCc2ccccc2)c1 1862432190 YIOWERBAGGGGPU-HSZRJFAPSA-N 447.918 5.170 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(OCC)cc1 1862435643 AYDVQPUHEDOMLW-QFIPXVFZSA-N 441.955 5.897 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(Br)cc1 1862438747 PYVNEAJYFVYPNY-SFHVURJKSA-N 448.744 5.337 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccc(C)cc2)c1 1862474688 RTOXNRJGAXYZJD-DEOSSOPVSA-N 427.500 5.091 30 10 IKEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccccc2)cc1 1862475428 LJQUIISXJILDLS-HOYKHHGWSA-N 427.500 5.343 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc3c(c2)OCCO3)cc1 1862479980 VIFZRDZXRLPRNJ-DEOSSOPVSA-N 447.531 5.067 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)c1 1862489401 AXLHBRCRMVJPLN-XMMPIXPASA-N 447.481 5.403 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccccc2Cl)c1 1862490784 DJUVITIQKLZYMC-OAOOKAIFSA-N 437.967 6.114 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(C(C)(C)C)cc1 1862494098 FPRPYJYKUJQFFB-DEOSSOPVSA-N 449.591 5.606 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc3cc[nH]c3c2)ccc1F 1862504003 KNYQQFPNVWJLEG-PKAUSPCKSA-N 446.522 5.772 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cccc2ccccc12 1862506220 XOTRBWCBCUSRIS-RUZDIDTESA-N 445.534 6.446 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(OCCC)cc1 1862563577 GVHMJNLTXTXTLJ-QHCPKHFHSA-N 436.552 5.216 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc(F)c1 1862650255 RFNIADFOIBERCU-WSNNEZGNSA-N 443.518 6.136 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccc3c(c2)CCCN3C)cc1 1862667480 CDMJRYTXQYVCDZ-DEOSSOPVSA-N 432.564 5.179 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(N(CC)CC)cc1 1862668320 WGJVMZNYRRHBGU-DEOSSOPVSA-N 434.580 5.645 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862668352 XAYNAAVDEPYGHU-NRFANRHFSA-N 446.374 6.495 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2Cl)cc1 1862675792 UGLOHFBPASALRV-HSZRJFAPSA-N 449.909 5.609 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc(F)c1 1862715891 SXIULRGDIFLZBH-XMMPIXPASA-N 447.506 5.372 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccc(F)c1 1862723903 HFUWIQZCHNPYFJ-XMMPIXPASA-N 429.491 5.727 30 10 IKEE Cc1cccc(NC2=C(c3cccc4ccccc34)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1862850031 JDANVELVSQJOPR-UHFFFAOYSA-N 429.479 5.417 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3Cl)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1C 1862880107 WKDJUGRSTZRXRG-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CCCOc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(C)cc3)C2=O)cc1 1862891133 VYIAARZIHWNRSR-UHFFFAOYSA-N 437.499 5.052 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccccc2C)=C(c2cc(C)ccc2C)C1=O 1863401862 KJQMZROBUKPWHN-UHFFFAOYSA-N 446.635 6.945 30 10 IKEE Cc1ccc(-c2nc(Nc3ccc(C#N)cc3)cc(N3CCO[C@H](c4ccncc4)C3)n2)cc1 1868331081 XZCLQVGWWWYSMD-DEOSSOPVSA-N 448.530 5.040 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N2CCCCCC2)nn1-c1ccc(OC)cc1 1869993477 JRFUNSAQSLKEME-UHFFFAOYSA-N 427.593 5.345 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)Nc2ccc(OC)cc2)c(=O)cc1C 1870086443 TZFWUTKJKKIHDG-UHFFFAOYSA-N 428.573 5.324 30 10 IKEE C=CCn1cc(OCc2ccccc2C)c(=O)cc1CSc1nc2ccccc2s1 1870171780 WYASHUKTZVLRSZ-UHFFFAOYSA-N 434.586 5.824 30 10 IKEE CCCCCCCOc1cn(CCCn2ccnc2)c(CN(CCC)CCC)cc1=O 1870416543 CJGGZTMXJFMBMW-UHFFFAOYSA-N 430.637 5.106 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2c(Cl)cccc2Cl)cn1CCCC 1870602842 KULWCAHLLROBEL-UHFFFAOYSA-N 435.395 5.708 30 10 IKEE CCCCCCCCCCn1cc(OCC)c(=O)cc1CNc1ccc(F)c(Cl)c1 1870784964 IDDFGOCXUWYDCM-UHFFFAOYSA-N 436.999 6.792 30 10 IKEE C=CCOc1cn(CCCCCC)c(CNc2ccc(Cc3ccccc3)cc2)cc1=O 1870813426 KRKHTAFLIPVBDH-UHFFFAOYSA-N 430.592 6.196 30 10 IKEE C=CCOc1cn(Cc2ccccc2F)c(CNc2ccc(N(CC)CC)cc2)cc1=O 1870813688 WORQRPRZRRLNEN-UHFFFAOYSA-N 435.543 5.059 30 10 IKEE CCCCCCCOc1cn(CC(C)C)c(CNc2cccc(Br)c2)cc1=O 1870831545 DEFJAHVEKZOALP-UHFFFAOYSA-N 449.433 6.228 30 10 IKEE CCCCCCCOc1cn(CCCCCO)c(CNc2cccc(C)c2C)cc1=O 1870838288 XBNMQUMDSZYZGH-UHFFFAOYSA-N 428.617 5.589 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN([C@@H]1CCCC[C@H]1C)C3 1871350995 FBBMPWPZZHSXIJ-YPUWIVSWSA-N 433.548 5.741 30 10 IKEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2C)C3=O)c(OC)c1 1871386572 CDSSSAFTAFEWSG-FMCGGJTJSA-N 430.456 5.156 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C)c(Cl)c4)cc(C)c3C2=O)c1 1871456436 FLPDFVUITIILQB-KSEXSDGBSA-N 447.918 5.899 30 10 IKEE C=CCN=c1nc(Nc2ccc(-c3ccccc3C)cc2)[nH]c(N(C)Cc2ccccc2)n1 1871639472 JORWLQSCZVPDFM-UHFFFAOYSA-N 436.563 5.247 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cccc(C)c1)[C@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1872266951 ARHHHCZRRHQANK-XMSQKQJNSA-N 449.016 5.269 30 10 IKEE C[C@@H](Oc1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1872760401 NLDGSWOOPRYHOZ-SJKOYZFVSA-N 427.869 5.015 30 10 IKEE N#C[C@H](C(=O)/C(=C\c1ccccc1)c1ccccc1)c1nc(-c2cccc(Cl)c2)cs1 1872766639 MQBAEHGGPRKQCM-XUKJQLKWSA-N 440.955 6.881 30 10 IKEE N#C[C@H](C(=O)CCCOc1ccc(Cl)cc1Cl)c1nc(-c2cccs2)cs1 1872773919 BHNMNTVVYMUXPZ-CYBMUJFWSA-N 437.373 6.214 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@H](C#N)C(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)n1 1872781872 ZCVQFMAVGYHXQI-XMSQKQJNSA-N 448.588 6.203 30 10 IKEE CCCCCCCCCCNC(=O)c1cnn(-c2ccc(Cl)cc2)c1-n1cccc1 1873935064 GJUNUURVRYDOIR-UHFFFAOYSA-N 426.992 6.187 30 10 IKEE Oc1cccc(/C=N/n2c(CCCOc3ccccc3)nnc2SCc2ccccc2)c1 1874315978 VDWAQWYADZYTNR-NLRVBDNBSA-N 444.560 5.170 30 10 IKEE Oc1ccccc1/C=N/n1c(SCCc2ccccc2)nnc1-c1ccccc1Cl 1874365452 CJVDJCKGDDOVBJ-PCLIKHOPSA-N 434.952 5.521 30 10 IKEE C(=N/n1c(CCc2ccccc2)nnc1SCc1cccc2ccccc12)\c1ccccn1 1874404808 QGXKAGTWZYJUPN-VUTHCHCSSA-N 449.583 5.786 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2[C@@H]2CCCO2)cc1 1874451275 VQHMOLVBCKOLBT-NFCNUSAFSA-N 441.000 6.081 30 10 IKEE C=CCSc1nnc(C2CCCC2)n1/N=C/c1ccc(OCc2ccc(C)cc2)cc1 1874456988 UNRLNDFDCZRJQF-YZSQISJMSA-N 432.593 5.983 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccco2)cc1 1874465797 BPMIVQPXPXXVCV-ZVHZXABRSA-N 447.520 5.744 30 10 IKEE O=[N+]([O-])c1cccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CCC2)c1 1874496796 FQCLBMJOOPTEQS-WSDLNYQXSA-N 427.917 5.282 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1c[nH]c2ccccc12 1874508585 LQVZPZDZQCBGID-BRJLIKDPSA-N 444.391 6.193 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2sccc2C)cc1C 1874509974 FESOWHUVUKGASY-SSDVNMTOSA-N 427.599 5.001 30 10 IKEE CC(C)c1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(Br)cc1 1874517030 JPCJEIICJUYJCV-SSDVNMTOSA-N 449.805 5.992 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccccc1[N+](=O)[O-] 1874525682 ALVHFRMAPJDFIT-UFFVCSGVSA-N 436.324 5.230 30 10 IKEE CC(C)(C)Cc1nnc(S)n1/N=C/c1ccc(OCc2c(F)cccc2Cl)cc1 1874560266 OYEFVDLZGJKPDA-WYMPLXKRSA-N 432.952 5.409 30 10 IKEE Cc1ccc(OCc2nnc(S)n2/N=C/c2ccc(OCc3ccccc3)cc2)cc1C 1874563270 SKLFDIOWFDQJHU-CVKSISIWSA-N 444.560 5.224 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(Br)cc2)c1OCc1cccc(C)c1 1874574445 NELGSVZGMJAMSN-SDNWHVSQSA-N 437.333 6.241 30 10 IKEE COc1cc(Br)cc(/C=C/C(=O)c2ccc(F)cc2)c1OCc1ccccc1 1874583994 QMRSWKDDSFLAFL-FMIVXFBMSA-N 441.296 6.072 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cc(Cl)ccc1OCc1cccc(C)c1 1874585332 SPGBBTVYMXPNFJ-FMIVXFBMSA-N 448.990 7.430 30 10 IKEE CCCOC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1cc(Cl)cc(C)c1OC 1874588903 KPMUACDHBFMBMM-FNORWQNLSA-N 437.319 5.539 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccccc1OCC(=O)Nc1ccc(C)c(C)c1 1874592011 NQECGWNASSAFTM-FMIVXFBMSA-N 449.934 5.879 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OCC(=O)Nc1cc(C)cc(C)c1 1874596016 KGCOZDRABOBFTL-WEVVVXLNSA-N 447.506 5.673 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(OC)c1OCc1ccc(F)cc1 1874612021 XGBSSLVKHYJJGF-BJMVGYQFSA-N 428.406 5.596 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)ccc1F 1874618521 GDFPGZWLYAFQCZ-ONNFQVAWSA-N 443.287 6.511 30 10 IKEE C=CCOc1c(Cl)cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc1OCC 1874627634 YKOYWGRINYUZJP-MDZDMXLPSA-N 428.956 6.640 30 10 IKEE C=CCOc1c(OCC)cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc1[N+](=O)[O-] 1874638774 RCJYJRFAEJBHQV-ZRDIBKRKSA-N 433.460 5.616 30 10 IKEE COc1cccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc4cc(Cl)ccc4n3)c2)c1 1874695086 KCTDIGFEXKIQQI-MDWZMJQESA-N 443.886 6.012 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccc(F)cc3)c2)cc1 1874700156 DRYNLJPXTRRWIP-MKMNVTDBSA-N 434.463 5.277 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 1874706263 XTLMAJOAEPTCCZ-CAOOACKPSA-N 442.511 6.025 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2cccc(Oc3ccccc3)c2)c1)c1ccc(F)cc1 1874708823 WNTOLNPDFTZQHW-SFQUDFHCSA-N 438.454 6.733 30 10 IKEE C=CCN(CC=C)CCC(=O)c1cccc(OC(=O)CCCOc2ccccc2Cl)c1 1874733474 BRUTUGAUFYIFPT-UHFFFAOYSA-N 441.955 5.351 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3cccc(OC)c3)cc2OC)c1 1875104073 DWSLMOJCCCMSFG-JLHYYAGUSA-N 446.499 5.147 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OC(=O)COCc1ccccc1 1875110386 IJBQXOJYFKSWOQ-ACCUITESSA-N 436.891 5.367 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1Cl)c1ccc2c(c1)OCO2 1875120829 MHZVFBLSSNOVKC-LZCJLJQNSA-N 442.801 5.462 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)c(C)c1 1875131541 CSFDRWBXPFWVDV-MKMNVTDBSA-N 435.317 6.181 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)CC1CCCCC1 1875136019 SPWCLGVSNZMWME-SDNWHVSQSA-N 440.967 6.819 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)cc2)cc1 1875147116 PWTHUJZLYXPALU-MKMNVTDBSA-N 442.511 5.871 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)C(C)(C)C)c([N+](=O)[O-])c2)cc1C(C)C 1875162832 NBUZYDPYYQASGB-CSKARUKUSA-N 439.508 5.883 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1[N+](=O)[O-] 1875174937 QHRBQINTAHSPDE-NTCAYCPXSA-N 437.536 6.764 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)C1CCCC1 1875190943 TUFMLXQRMBOXIM-YRNVUSSQSA-N 433.331 6.384 30 10 IKEE Cc1sc(NS(=O)(=O)c2cccc(C#N)c2)nc1-c1ccc(-c2ccccc2)cc1 1892111696 ZSGPNQRCBNQAOX-UHFFFAOYSA-N 431.542 5.458 30 10 IKEE CC1(C)OB(c2ccc(NC(=O)OCC3c4ccccc4-c4ccccc43)cc2)OC1(C)C 1912665659 YLKGQKPYSURYKB-UHFFFAOYSA-N 441.336 5.347 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OC(C)(C)C 1922067503 BSPKRZJZXTXPKZ-AKIFATBCSA-N 448.648 5.225 30 10 IKEE C=C([C@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1)[Si](C)(C)C 1922982455 ILCSSRMGQXVKQL-NYVOZVTQSA-N 434.697 5.287 30 10 IKEE C[C@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1938773623 VMCYBDOUQCSDNS-IVZQSRNASA-N 435.952 5.373 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1CC(C)(C)CCN1C(=O)OC(C)(C)C 1948801877 XGEQFESPVMRMTO-XZOQPEGZSA-N 430.633 5.553 30 10 IKEE CC(C)(C)OC(=O)NCc1ccc([C@@](C)(C#N)N(C(=O)OC(C)(C)C)C2CCC2)cc1 2014216574 QVZWIXGHQILPGJ-XMMPIXPASA-N 429.561 5.240 30 10 IKEE CC(C)[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)CN1Cc1ccccc1 2029763798 NNUUOOMSDVBAKO-ZEQKJWHPSA-N 437.559 5.760 30 10 IKEE C=CCC1(NCc2sc(Br)cc2C)CCN(C(=O)OC(C)(C)C)CC1 2039284634 MSCCOMDLLDZZDS-UHFFFAOYSA-N 429.424 5.254 30 10 IKEE CCC(=Nc1sc(-c2ccccc2)nc1-c1ccc(C)cc1)N1CCc2ccccc2C1 2070808082 AAYYNRCULAGXRI-UHFFFAOYSA-N 437.612 7.284 30 10 IKEE Cc1ccc([C@H](C2CC2)n2nc(C(C)(C)C)c(C#N)c2I)cc1C 2078985025 DQGLGHOHVIXMIA-KRWDZBQOSA-N 433.337 5.273 30 10 IKEE Cc1ccc([C@@H](n2nc(C3CCC3)c(C=NO)c2Br)C(C)(C)C)c(F)c1F 2079906585 SEKPCUDHPPWOKR-GOSISDBHSA-N 440.332 5.943 30 10 IKEE ON=Cc1c(C2CCC2)nn([C@H](c2ccc(C3CCC3)cc2)C2CC2)c1Br 2079957265 JVVOBTJYITZAAS-OAQYLSRUSA-N 428.374 5.988 30 10 IKEE COc1ccc([C@H](C2CCC2)n2nc(C3CCC3)c(C#N)c2I)cc1 2080053963 XMONRNPAFPNWLF-IBGZPJMESA-N 447.320 5.025 30 10 IKEE C=CCN(CC[C@H](Cc1ccc(Br)cc1F)NCCC)C(=O)OC(C)(C)C 2155516337 JDGRDUZFEAMWTC-GOSISDBHSA-N 443.401 5.312 30 10 IKEE C=CCC1(Nc2cc(Br)c(C#N)cc2F)CCN(C(=O)OC(C)(C)C)CC1 2162328478 NWHIHDAQTXHLGO-UHFFFAOYSA-N 438.341 5.218 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1c1ccc(Nc2ccc(Br)cc2C#N)cc1 2162388593 ZXJAVTMHVWQLTJ-IEBWSBKVSA-N 428.330 5.445 30 10 IKEE CC(C)(C)OC(=O)NC[C@H](Nc1cc(Br)cc(F)c1C#N)C1CCCCC1 2163709111 SDKNCDRQBWDADJ-SFHVURJKSA-N 440.357 5.345 30 10 IKEE C#CCN(C(=O)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1)C1CCCCC1 2180035092 ANOMQAPVNTUJPE-UHFFFAOYSA-N 435.362 5.204 30 10 IKEE C#CCCN(CC(C)(C)C)C(=O)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2180044533 WCPASSWHVSJMJR-UHFFFAOYSA-N 437.378 5.308 30 10 IKEE C=CCC[C@H](C)[C@H](NC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229111079 HOOPUPGBJHZBBP-SNRMKQJTSA-N 425.411 5.075 30 10 IKEE CC1(C)OB(c2cccnc2Oc2ccc(Cl)c(Cl)c2Br)OC1(C)C 2232309071 DTIHILCSKDNPTA-UHFFFAOYSA-N 444.949 5.242 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)[C@@H](C(C)C)N(C)C(=O)OC(C)(C)C 2235734011 VTXRKEIVXDCFKZ-VQTJNVASSA-N 437.422 5.060 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)C[C@H]2CCCC[C@H]21 2259968127 LWNMPTVQHXAWAF-INADMSBESA-N 442.644 5.601 30 10 IKEE O[C@H](CC#CC1CCCC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2261162110 PWSQWXIZWRJQMU-HHHXNRCGSA-N 426.556 6.462 30 10 IKEE N#Cc1cccc(Br)c1NCc1cc(Br)ccc1Br 2269736855 BBGWCPJCXSUZEL-UHFFFAOYSA-N 444.952 5.458 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cccc(Cl)c1Br 2272011108 SMHIBXKKKDWXKA-SJLPKXTDSA-N 443.813 5.450 30 10 IKEE C=CC[C@@]1(COc2ncc(Br)cc2C)CCCCN1C(=O)OC(C)(C)C 2272079535 DULIQQFBMIECGL-FQEVSTJZSA-N 425.367 5.267 30 10 IKEE COc1ccc(CNc2c(Br)cccc2C#N)cc1NC(=O)OC(C)(C)C 2285171079 MNFUODVWCKSSKM-UHFFFAOYSA-N 432.318 5.288 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)[C@](C)(CC(C)C)NC(=O)OC(C)(C)C 2285415135 FJCBOMZJNAPXFH-UGKGYDQZSA-N 437.422 5.108 30 10 IKEE C=CC[C@]1(COc2cc(F)c(Br)cc2N)CCCN(C(=O)OC(C)(C)C)C1 2287851720 DATKNEXSBYPLRP-FQEVSTJZSA-N 443.357 5.143 30 10 IKEE C=CC[C@@]1(COc2ccc([N+](=O)[O-])c(Br)c2)CCCN1C(=O)OC(C)(C)C 2287854373 JHUINNCHWGIAMD-IBGZPJMESA-N 441.322 5.082 30 10 IKEE CCN[C@@H](C#CC1CCCCC1)c1cc(I)ccc1Br 2289682170 RGKVIPVRFYQUFR-KRWDZBQOSA-N 446.170 5.288 30 10 IKEE C=CCCCCC[C@@H](OCC(=O)O)c1scc(Br)c1Br 2291453784 SUCRKTUQDFBUEU-LLVKDONJSA-N 426.170 5.552 30 10 IKEE COCCN1C(=O)C(=Cc2cc(C)n(-c3ccccc3)c2C)SC1=Nc1ccccc1 2294137692 YAQQDEQVRJHYNY-UHFFFAOYSA-N 431.561 5.345 30 10 IKEE C[C@@]12CC[C@@]3(C)[C@@]4(C)CC(=Cc5ccncc5)C(=O)[C@@]4(C)CC[C@]3(C)[C@@]1(C)CC[C@H](O)C2 2294712152 GYTNBVPAHRXQRC-SBLJKQFISA-N 435.652 6.608 30 10 IKEE CC(C)c1ccc([C@H]2C(=C(O)c3ccc(Cl)cc3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1 2296132856 MZSMBVNVHXRFAN-UNMCSNQZSA-N 439.939 5.064 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CN(Cc2ccccc2)C(C)(C)C1 2296219809 RPZHGKHZECSXAW-FYYLOGMGSA-N 425.414 5.079 30 10 IKEE CCC1CCC(NC(=O)OC(C)(C)C)(C(=O)C#Cc2cccc(Br)c2)CC1 2296231612 GCTWBWRCTJHYNC-UHFFFAOYSA-N 434.374 5.233 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CCCN(Cc2ccccc2)C1 2296266490 JCDGCIDOADNHGX-ISKFKSNPSA-N 425.414 5.081 30 10 IKEE Cc1ccc2nc3c(cc2c1)CN(Cc1cccs1)C(=NCCc1ccccc1)S3 2297506919 RTMSJDWWPKHAOO-UHFFFAOYSA-N 429.614 6.311 30 10 IKEE CCCN1C(=O)C(=Cc2cc(Cl)c(O)c(Cl)c2)SC1=Nc1ccc(OC)cc1 2297558987 XQEHCVCZTGGBMR-UHFFFAOYSA-N 437.348 5.722 30 10 IKEE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)SC1=S 2314427825 UMAFKJYNSARIOH-UHFFFAOYSA-N 443.553 5.673 30 10 IKEE O=C1C(=Cc2c(Cl)cccc2Cl)Oc2cc(OCc3ccc(F)cc3Cl)ccc21 2314438052 GFDWTCRLQBKECH-UHFFFAOYSA-N 449.692 6.981 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2Cc2ccccc2)cc1 2314477287 DRQLKJYPUSEOMV-SANMLTNESA-N 439.511 5.263 30 10 IKEE COc1ccc(C=C2SC(=NN=CC=Cc3ccccc3)N(Cc3ccco3)C2=O)cc1 2314841352 WIDWOBGEDGILQO-UHFFFAOYSA-N 443.528 5.460 30 10 IKEE C[C@H](c1ccccc1)c1nnc(S)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2321962119 ONUJDNNBHKLNBC-QGZVFWFLSA-N 448.979 5.833 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc3c2CN(Cc2cccc(C)c2)CO3)C1=O 2322216107 ATYZXHAQXIBYJF-UHFFFAOYSA-N 427.500 5.362 30 10 IKEE CC(C)Oc1cccc(C=Nn2c(S)nnc2COc2ccc(Cl)cc2Cl)c1 2322260226 ZCDCXVODTCVXQW-UHFFFAOYSA-N 437.352 5.122 30 10 IKEE CCCCCCN1COc2c(cc3c(c2C)OC(=Cc2cccc(OC)c2OC)C3=O)C1 2322362597 AUVPMBJPLUFGJC-UHFFFAOYSA-N 437.536 5.361 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1c(F)cccc1Cl)C3=O)CN([C@H]1CCCC[C@H]1C)CO2 2322391810 OLVGWSOABWHPCH-SZNDQCEHSA-N 441.930 6.134 30 10 IKEE O=C(C=Cc1cc(Br)ccc1OCc1ccccc1F)c1ccc(Cl)cc1 2322528415 WNCAINRIIDQTIM-UHFFFAOYSA-N 445.715 6.717 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2ccc(C)cc2C)cc1 2322595995 LIWKWRSZTWUDSN-UHFFFAOYSA-N 433.935 6.179 30 10 IKEE Cc1c(OC(=O)c2ccc(Cl)cc2)ccc2c1OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2322703726 TVUKIGHWZXNVTO-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE CCCOC(=O)COc1ccc(Cl)cc1C=CC(=O)c1cc(C(C)C)c(OC)cc1C 2322799995 YXWZPCYIWHLISE-UHFFFAOYSA-N 444.955 6.009 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccccc2OCc2ccc(Cl)cc2)c1 2322860147 SSMWGNPPWLRUSN-UHFFFAOYSA-N 436.935 6.613 30 10 IKEE COC(=O)c1ccc(COc2ccccc2C=CC(=O)c2cc(C(C)(C)C)ccc2C)o1 2322952792 BNGLCXZAAJTSCQ-UHFFFAOYSA-N 432.516 6.147 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCc3ccc(Cl)c(Cl)c3)c2)cc1 2323094373 PPCHRSYEJPIXEO-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1OCC(=O)NCc1ccco1 2323188907 UROZLZPPLIZCMD-UHFFFAOYSA-N 447.531 5.177 30 10 IKEE Cc1cc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)ccc1[N+](=O)[O-] 2323273920 UOJNWIYNZGSIKX-UHFFFAOYSA-N 443.455 5.862 30 10 IKEE Cc1cc(OC(=O)c2ccc(C(F)(F)F)cc2)cc2c1C(=O)C(=Cc1ccccc1F)O2 2323352263 IAYFCKMIFVJOLJ-UHFFFAOYSA-N 442.364 5.988 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCC(=O)N(CC)CC)c([N+](=O)[O-])c2)cc1 2323540670 IDUKNTVACIWNQX-UHFFFAOYSA-N 438.524 5.081 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4ccc5nc(C)c(C)nc5c4)cc(C)c3C2=O)o1 2323557122 CFYKJLCTFCKMSE-UHFFFAOYSA-N 440.455 5.292 30 10 IKEE Cc1cc(OC(=O)c2cc(Cl)ccc2Cl)cc2c1C(=O)C(=Cc1ccccc1F)O2 2323582694 MJCBSFFOSPJPHF-UHFFFAOYSA-N 443.257 6.276 30 10 IKEE CCCOC(=O)COc1c(Br)cc(C=CC(=O)c2ccccc2)cc1OCC 2323813916 PHLTWPPSRADDBC-UHFFFAOYSA-N 447.325 5.076 30 10 IKEE CCCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2sccc2C)C3=O)c1 2323919599 OUFCLGIRAXCNER-UHFFFAOYSA-N 448.496 5.597 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(F)c(F)c3)cc2OC)o1 2324261402 FKLXIMPJJDMSPW-UHFFFAOYSA-N 442.414 5.218 30 10 IKEE CCc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4Cl)ccc3C2=O)cc1 2324388949 QMBWVVAPCQVLSN-INIZCTEOSA-N 447.918 5.925 30 10 IKEE Cc1ccccc1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)OC(=Cc1sccc1C)C2=O 2324416703 YHRBPTYOUWKZFD-KRWDZBQOSA-N 433.529 5.696 30 10 IKEE COc1ccc(C=C2Oc3cc(OCCOc4ccc(C)cc4)cc(C)c3C2=O)c(OC)c1 2324538489 VQLHKMLCRBYGCN-UHFFFAOYSA-N 446.499 5.395 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OCc2ccc(F)cc2)c([N+](=O)[O-])c1 2324581311 YUFBISULFOIOSP-UHFFFAOYSA-N 447.506 6.815 30 10 IKEE C=C(C)COc1ccc(C=CC(=O)c2ccc(OC)c(OC)c2OC)cc1Br 2324719150 GPPYIRZYGJAQLU-UHFFFAOYSA-N 447.325 5.326 30 10 IKEE COc1cc(C=CC(=O)[C@H](C#N)c2nc(C)cs2)ccc1OCc1ccc(Cl)cc1 2324815580 REJXFWCIIRQGSU-IBGZPJMESA-N 438.936 5.582 30 10 IKEE Fc1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2c[nH]c3ccccc23)cc1 2325471154 VKLRQVUQZAEMNP-UHFFFAOYSA-N 441.535 5.664 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4c(C)cccc4C)c3C)C2=O)cc1 2325494447 BAMJWASIULRAAW-UHFFFAOYSA-N 443.499 5.254 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1cccc(C=CC(=O)c2cccc(Cl)c2)c1 2325728482 HEBFOHDZNDUGCS-UHFFFAOYSA-N 434.919 6.309 30 10 IKEE COc1ccc(OCC(=O)Oc2cc(C=CC(=O)c3cc(C)ccc3C)ccc2OC)cc1 2325740072 KSJBPPQFDFMVFX-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(C=CC(=O)c3cc(C)ccc3OC)ccc2OC)c1 2325742876 ICOINYLBSOTOID-UHFFFAOYSA-N 446.499 5.526 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cccc(Cl)c3)c2)cc1Cl 2325769615 KHRUSMNMDYNEPP-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE CSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccc(C(C)C)cc1 2326037626 SDEZGLWFJLYLOV-UHFFFAOYSA-N 428.989 5.671 30 10 IKEE CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1cccc2ccccc12 2326099380 FIBVFONHZHBZEK-UHFFFAOYSA-N 436.968 5.885 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1N=Cc1ccc(OCC)c([N+](=O)[O-])c1 2326224857 LRYLYPSDANUKEA-UHFFFAOYSA-N 439.541 5.102 30 10 IKEE Cc1nnc(SCc2ccc(F)cc2)n1N=Cc1c(Cl)ccc(Cl)c1Cl 2326238437 OTHWDEWDQCLNHV-UHFFFAOYSA-N 429.735 5.860 30 10 IKEE CCOc1cccc(C=Nn2cnnc2SCc2ccc(Cl)c(Cl)c2)c1OC 2326489279 PMROOHQSOPQGSB-UHFFFAOYSA-N 437.352 5.167 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1cccc(OC)c1 2326540976 MEIUSLUOXHYMDX-UHFFFAOYSA-N 430.961 5.212 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc3ccccc23)n1N=Cc1sccc1C 2326596915 LJSHSFNKZGVBGC-UHFFFAOYSA-N 432.618 6.137 30 10 IKEE COc1ccccc1CCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccccc1 2328676194 INNKDFFNQMYFSN-UHFFFAOYSA-N 446.551 5.386 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2)n1N=Cc1ccc(F)cc1F 2328744558 NOIWTRDFYJHXIB-UHFFFAOYSA-N 428.508 5.118 30 10 IKEE Cc1cccc(C=Nn2c(Cc3ccc(Cl)cc3)nnc2SCc2cccc(C)c2)c1 2329082175 SBQVTTGEQFPPTN-UHFFFAOYSA-N 447.007 6.314 30 10 IKEE Fc1cccc(C=Nn2c(Cc3ccc(Cl)cc3)nnc2SCc2ccccc2)c1 2329100563 RYTKPPRAKLTLNE-UHFFFAOYSA-N 436.943 5.836 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccncc1 2329503283 KYSJJSPPVQDHPH-UHFFFAOYSA-N 447.995 5.595 30 10 IKEE Oc1ccc(C=Nn2c(Cc3ccccc3F)nnc2SCc2ccc(F)cc2)cc1 2329711089 YHGLKZBQDITOFD-UHFFFAOYSA-N 436.487 5.027 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2ccccc2Cl)n1N=Cc1cccnc1 2329745950 VRXTXPYTVFLRHQ-UHFFFAOYSA-N 437.931 5.231 30 10 IKEE Clc1ccc(CSc2nnc(Cc3cccs3)n2N=Cc2ccncc2)cc1 2330422825 FUNCQKBWYOUHNI-UHFFFAOYSA-N 425.970 5.153 30 10 IKEE Cn1cccc1C=Nn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1cccs1 2330609034 TXBYJTPCQRDVAW-UHFFFAOYSA-N 448.404 5.826 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)cc(Cl)c1OC(=O)c1ccccc1 2330786235 QUOJAPLZEYHZIA-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccn2)c(Cl)c1)c1cccc(Br)c1 2331002211 STUUMCBHKSYKQU-UHFFFAOYSA-N 442.696 5.613 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1Br)c1ccncc1 2331092823 KXIQJUHLDSBQOM-UHFFFAOYSA-N 444.231 5.238 30 10 IKEE Cc1ccc(CSc2nnc(C(F)(F)F)n2N=Cc2ccccc2OC(C)C)cc1 2331108612 BPOWUEZDYUEDJG-UHFFFAOYSA-N 434.487 5.567 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1OC 2331108769 MYJHNMWJWHFAEH-UHFFFAOYSA-N 430.491 6.526 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)Cc1ccccc1 2331118916 JMPKSBHEPILCJL-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE Cn1cc(C=Nn2c(SCc3ccccc3F)nnc2-c2ccco2)c2ccccc21 2331208263 DZFDDKVVKJDCJS-UHFFFAOYSA-N 431.496 5.343 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)Cc1cc(C)ccc1C 2331232837 QLTLGHRRWFYONN-UHFFFAOYSA-N 428.528 5.973 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3)cc2OCC)cc1 2331281409 UOJGRNSUSXMWAB-UHFFFAOYSA-N 444.527 5.837 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)Cc3cc(C)ccc3C)cc2)c1 2331378684 QDXGYWPCZNTGHD-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccccc1Cl 2331429832 KNSMDKCWLXHRNM-UHFFFAOYSA-N 448.946 6.761 30 10 IKEE Cc1ccc(O)c(C=Nn2c(CC(C)C)nnc2SCc2ccc(Cl)cc2Cl)c1 2331471903 QKBFJPHYYBZHDI-UHFFFAOYSA-N 449.407 5.972 30 10 IKEE CC(C)Cc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(C(=O)O)cc1 2331480480 WORZDQZZNVPGLZ-UHFFFAOYSA-N 446.935 5.142 30 10 IKEE CCc1ccc(C=Nn2c(COC)nnc2SCc2ccc(Cl)cc2Cl)cc1 2331612030 VOYCCCQEVFIPCP-UHFFFAOYSA-N 435.380 5.468 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)CCCSC)c(Cl)c1 2331664099 XMHALTNCGOFWSC-UHFFFAOYSA-N 432.969 5.910 30 10 IKEE C=CCSc1nnc(C(C)C)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2331704658 QFEQJRPPTUIDMG-UHFFFAOYSA-N 426.973 5.794 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc(Cl)c1OC(=O)C1CCC1 2331780477 VGORKBQCLRODKJ-UHFFFAOYSA-N 440.967 6.556 30 10 IKEE CCCCCCOc1ccc(-n2nnc(C#N)c2NC(=O)C=Cc2ccccc2Cl)cc1 2332189059 YPRWQEXPNCMBJQ-UHFFFAOYSA-N 449.942 5.403 30 10 IKEE CC1(C)CN(Cc2ccccc2)CC[C@H]1Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2365061070 PBFLZYWDMRYHIJ-LKVFMFGUSA-N 447.432 5.439 30 10 IKEE CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccc2C#N)[C@@H]1c1cccs1 9433264 ZPNSYCMRUOZQQI-PKTZIBPZSA-N 429.545 5.195 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc3c(c2)N(CCCCC)C(=O)[C@H](C)O3)c1 12236816 WYLKARKEIAXNRF-IBGZPJMESA-N 449.595 6.081 30 10 IKEE Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(Cl)ccc2O)cc1 21220609 QDVSBPSYIXDVCY-MRDQGFSESA-N 430.935 6.334 30 10 IKEE CCOc1c(OC)cccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccccc1)C2 21225750 VUOSLJZHEYGZCE-WINIVTDRSA-N 440.543 6.073 30 10 IKEE COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2)c1 21238220 SKIMPLFTDAXXHF-CLYVBNDRSA-N 426.516 5.683 30 10 IKEE Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(Cl)c2Cl)cc1 21252892 CAGFESZVJRYACO-QUGAMOGWSA-N 449.381 7.281 30 10 IKEE CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2C(F)(F)F)cc1 21258539 OCGNICZWCCUQJU-APWZRJJASA-N 441.493 6.007 30 10 IKEE COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2c(F)cccc2Cl)c1 21260354 GOOUKOOCYRUABL-AKJBCIBTSA-N 448.925 6.467 30 10 IKEE CC(=O)c1ccc(N2C(=S)N/C(=N\c3ccccc3C)C23CCC(C(C)(C)C)CC3)cc1 27471931 DNSSVUFIXPZXGV-UHFFFAOYSA-N 447.648 6.597 30 10 IKEE CCn1nc(C)c(CCN/C(=N/C(=O)c2ccc(C)c(F)c2)Nc2ccc(C)cc2C)c1C 32973225 JUCWFCLVLWSJNL-UHFFFAOYSA-N 449.574 5.025 30 10 IKEE COc1cc(/C=C\C(=O)c2ccc(O)cc2)ccc1OCc1cccc(C(F)(F)F)c1 33737311 YWQZRLNMGZBQLP-WZUFQYTHSA-N 428.406 5.895 30 10 IKEE C=CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccc(C)cn2)cc1 35514814 XNRJPQLBHUTUFA-DEOSSOPVSA-N 438.483 5.119 30 10 IKEE C=CCOc1cccc([C@@H]2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2CCCC)c1 39911924 NYYZYZPSQOLGBO-XMMPIXPASA-N 431.536 5.309 30 10 IKEE Cc1c(OC(=O)c2ccccc2)ccc2c1O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 41251059 KHABHDZOZLCETE-ITYLOYPMSA-N 432.475 6.497 30 10 IKEE COc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3cccs3)C4)C2=O)c(OC)c1 41587147 UKRRRRZPDJFWAL-YVNNLAQVSA-N 449.528 5.042 30 10 IKEE CCCOc1cccc([C@@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccccc4)nn32)c1 54644201 WECGPZKKBCUHSW-HSZRJFAPSA-N 446.576 5.381 30 10 IKEE Cc1ccc(/N=C2/SCCCN2C(=O)C2c3ccccc3Oc3ccccc32)cc1Cl 96545228 LKHMTSPNEWTBPV-IMVLJIQESA-N 448.975 6.539 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)CNc1cc(Cl)ccc1Cl 100072957 AKLIXARPXYZYSQ-UHFFFAOYSA-N 443.503 8.003 30 10 IKEE CCCCCCCC(=O)N[C@@H](C(=O)Nc1nnc(-c2ccc(OC)cc2)s1)[C@H](C)CC 102992759 VMKWGLNLSUTWAM-OXQOHEQNSA-N 446.617 5.044 30 10 IKEE C=CC/N=C1\S[C@H](CC(=O)Nc2ccc(Cl)cc2)C(=O)N1C1CCCCCCC1 103887181 YFSUMVLXPNFICS-MAVBTGMRSA-N 434.005 5.268 30 10 IKEE COC(=O)c1ccc(N2Cc3ccccc3/C2=N/C(=O)c2c(Cl)cccc2Cl)cc1 105538130 AEVFNYLEFIKKQP-QLYXXIJNSA-N 439.298 5.387 30 10 IKEE C=CCn1c(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)c(C)c2cc(C(C)C)ccc21 169874132 BWTIRFJKKHHBDK-UHFFFAOYSA-N 433.552 6.774 30 10 IKEE CSc1nnc(Cc2ccccc2)n1/N=C\c1ccc(OC(C)C)c(Br)c1 169916147 ALBOWSPTWIWOAM-XKZIYDEJSA-N 445.386 5.023 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCC)cc1 169976259 OCFORUXHBTWOSL-HXUWFJFHSA-N 442.581 5.317 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2ccccn2)cc1 169993939 BDNLMZWMIHUINM-JOCHJYFZSA-N 432.907 5.389 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccc(F)cc2)cc1C 170062428 QCAMYDRDOLSBBO-JOCHJYFZSA-N 435.882 5.879 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2ccccc2C)cc1 170089478 CJYPEPKRHCETRT-OAQYLSRUSA-N 448.544 5.250 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2sccc2C)c1 170105113 GORSGQGUJQWQLJ-IBGZPJMESA-N 439.920 5.501 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1cccc(C)c1 170140773 MVTOCMGRNCDPIO-JOCHJYFZSA-N 435.426 5.065 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@H]1c1ccc(C)o1 170309434 SDTKMOSQEXKFMK-LJQANCHMSA-N 436.533 5.398 30 10 IKEE C=CCOc1cccc([C@H]2C(C(=O)c3cccc(OCCC)c3)=C(O)C(=O)N2CCC)c1 170324273 WJXCFKLNIBMVLY-QHCPKHFHSA-N 435.520 5.029 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)c(F)c2)c1 170364472 DZLISVQNCCMDQQ-JOCHJYFZSA-N 435.426 5.146 30 10 IKEE CCCCCCCCCCCCN1C(=O)/C(=C\c2c(C)[nH]c3ccccc23)SC1=S 208363156 RRCMYCVUWSIDFC-PTGBLXJZSA-N 442.694 7.598 30 10 IKEE Sc1nnc(-c2ccccc2)n1N=Cc1ccc(-c2ccc(Br)cc2)o1 252615100 JOVGUMFGBVGINY-UHFFFAOYSA-N 425.311 5.139 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(OC)c(Br)c2)SC1=Nc1ccc(C)c(C)c1 252634793 WQVAFROCZAAHDK-SYVFOUEHSA-N 445.382 5.698 30 10 IKEE Cc1ccc2nc(-c3ccc(N=Cc4ccc(OCc5ccccc5)cc4)cc3)sc2c1 254344701 ZUWXIKJOOKNKBZ-UHFFFAOYSA-N 434.564 7.601 30 10 IKEE COc1cccc(N=Cc2c(O)c(C(=O)Nc3ccccc3OC)cc3ccccc23)c1 254853633 HAGWDUMLYVSLAY-UHFFFAOYSA-N 426.472 5.566 30 10 IKEE N#Cc1cc(Br)ccc1CNc1cc(Br)ccc1Br 311642197 RRTSUIVAHMRIPJ-UHFFFAOYSA-N 444.952 5.458 30 10 IKEE Cc1ccc(SC2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(F)cc3F)C2=O)cc1 526662704 IGJRZOUTMUFHHS-UHFFFAOYSA-N 447.466 5.134 30 10 IKEE CCCOc1ccccc1/C=N\n1c(CC)nnc1SCc1ccc(C(C)(C)C)cc1 526805882 MOMTWAKXBLWJHY-ONUIUJJFSA-N 436.625 6.101 30 10 IKEE Cc1cc(C)cc(CSc2nncn2/N=C\c2ccc(OCc3ccccc3)cc2)c1 526808447 JFBJFWCKOIQGPQ-DICXZTSXSA-N 428.561 5.648 30 10 IKEE CCOc1ccc(/C=N\n2c(C)nnc2SCc2c(F)cccc2Cl)cc1OCC 526817652 SRMOSUQOUIXCQW-MSXFZWOLSA-N 448.951 5.351 30 10 IKEE Cc1cc(N(CCCC#N)S(=O)(=O)c2ccc(C(C)(C)C)cc2)ccc1Br 586252270 WOHKHYWIBGNCDT-UHFFFAOYSA-N 449.414 5.554 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1cccc(C2CC2)c1 698456868 JMFCJJLYQLKTKU-FQEVSTJZSA-N 427.342 6.333 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(F)ccc1Br 698483164 ARPUUOSXKZTCLW-QGZVFWFLSA-N 435.293 5.603 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2ccc(Cl)cc2Br)cc1 698850007 GYWQDQNJKKIDNE-GOSISDBHSA-N 435.749 6.417 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]([C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)C1 699664533 ZAYYSAPPSGGOFR-BXKMTCNYSA-N 447.551 5.497 30 10 IKEE CCC(C)=NNc1nc2c(Cl)c3sc(NN=C(C)CC)nc3c(Cl)c2s1 1081379628 WJWKHKHXPHYXOC-UHFFFAOYSA-N 429.402 6.608 30 10 IKEE CN1C(=O)C[C@@H](C(=O)Nc2cccc(Cl)c2)SC1=Nc1ccc(Cl)c(Cl)c1 1084524016 NSCZDITUVZHZPQ-HNNXBMFYSA-N 442.755 5.237 30 10 IKEE Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N/N=C/c1cc(Cl)cc(Cl)c1Cl 1614348658 PRPAKNCGCOYCPT-SOWFKZHZSA-N 439.545 6.668 30 10 IKEE Cc1ccccc1C[C@@H]1SC(=Nc2ccc(C(=O)O)cc2)N(Cc2ccccc2)C1=O 1772728026 FRISNLNMXHFVFV-QFIPXVFZSA-N 430.529 5.068 30 10 IKEE Cc1c(N=Nc2cccc(Br)c2)c(O)n([C@H](C)c2ccccc2)c(=O)c1C#N 1772741330 GMAXUOGBTQWWGD-CQSZACIVSA-N 437.297 5.521 30 10 IKEE CC(C)(C)c1cc(C(=Nc2ccccc2)NN=Cc2ccc(F)cc2)cc(C(C)(C)C)c1O 1772742214 ATHPMEQBDUTZHU-UHFFFAOYSA-N 445.582 6.828 30 10 IKEE COc1ccc(-n2cc(/C=N\NC(=S)Nc3cccc(F)c3)c(-c3ccccc3)n2)cc1 1857808504 FARLNCLWRAYTHL-YSMPRRRNSA-N 445.523 5.008 30 10 IKEE N#Cc1ccccc1COc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 1860144714 RYZJKBSWJARSJB-UHFFFAOYSA-N 427.287 5.462 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCSC)NC(=O)c1ccccc1C(F)(F)F 1861045427 TXKQCYLTFWHCIV-SFHVURJKSA-N 432.552 5.034 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCSC)NC(=O)c1ccc(Cl)cc1 1861053679 NUKPJGCXLOYFPD-FQEVSTJZSA-N 427.054 5.448 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCC)NC(=O)/C=C/c1ccc(Cl)cc1Cl 1861555509 JBVAEGBLMRKBIA-CMQXMCPJSA-N 427.416 5.768 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862429287 JSQCIPKDARTLPP-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@@H]1c1ccc(O)cc1)c1cccc(Cl)c1 1862443790 TVEGHNSGRCUUNL-HSZRJFAPSA-N 447.918 5.257 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2c(F)cccc2Cl)cc1 1862480530 ITODUMZPLZROEH-HSZRJFAPSA-N 449.909 5.874 30 10 IKEE COc1cc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)ccc1O 1862491946 FJYNAMFLEZQVPM-GERBCZOESA-N 449.547 5.175 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccccc2)c1 1862493275 LYRILPDIDNJTHX-VWLOTQADSA-N 441.527 5.481 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1c(Cl)cccc1Cl 1862498584 LNLCNEKRXJQCSN-NRFANRHFSA-N 446.374 6.379 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2ccc(OC)cc2)cc1 1862535929 MWFDIWOMEZCURZ-VWLOTQADSA-N 441.527 5.345 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(F)cc1F 1862596078 RLRWWMYJGNYSTP-JTSKRJEESA-N 443.490 5.608 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc(F)cc1)c1cccc2ccccc12 1862650097 NJNOQVFNSKIWOP-VWLOTQADSA-N 437.470 5.757 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(C(=O)O)cc1 1862651680 XHLBMYLFANDSHE-HSZRJFAPSA-N 443.499 5.307 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862681772 BCAFHFCMHGPRMP-IBGZPJMESA-N 436.310 5.901 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccc(C)cc2)c1 1862698707 LNBDUPTUJXMJEY-XMMPIXPASA-N 433.548 5.695 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc(C)c1 1862712939 DCLRJEWMMQKRAU-VWLOTQADSA-N 427.544 6.307 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1 1862713186 JCWPZZDKMLQTEB-DPQOWFAMSA-N 425.528 5.997 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(OCC)cc2)C1=O 1863210889 SBLXTZCQUZHRBU-UHFFFAOYSA-N 445.563 5.509 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Oc3ccccc3)cc2)=C(c2ccccc2Cl)C1=O 1863443744 FUGIXJVCGIJZAK-UHFFFAOYSA-N 430.891 5.510 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(OC)cc2)=C(c2cccs2)C1=O 1863470731 VLBOJCQXABPHNT-UHFFFAOYSA-N 440.609 6.089 30 10 IKEE C=CCN(CC=C)c1cc(N(CCC)CCC(=O)OCC)nc(-c2ccc(Cl)cc2)n1 1867979923 AMWMZWADEAMLBY-UHFFFAOYSA-N 442.991 5.145 30 10 IKEE C[C@@H](NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ncc(-c2ccc(F)cc2)o1 1868038232 DMKLUAMEOMNFSE-SNVBAGLBSA-N 446.322 6.009 30 10 IKEE CC(C)c1nc(Nc2cccc(C#N)c2)cc(N2CCO[C@H](c3ccc(Cl)cc3)C2)n1 1868221105 DYUBOGKCANOXOH-NRFANRHFSA-N 433.943 5.447 30 10 IKEE CCCCCCCCCCn1cc(OCCCC)c(=O)cc1CSc1ncccn1 1870182400 JWXDYPURXIJIRS-UHFFFAOYSA-N 431.646 6.250 30 10 IKEE CCCCCCCOc1cn(Cc2cccnc2)c(CN(CCC)CCCC)cc1=O 1870410872 JCVWQXUJCKTASA-UHFFFAOYSA-N 427.633 5.653 30 10 IKEE CCCCCCCOc1cn(CCC(C)C)c(CNc2cccc(NC(C)=O)c2)cc1=O 1870833354 FOWMDXDQUHARRS-UHFFFAOYSA-N 441.616 5.814 30 10 IKEE CCCCCCN1COc2c(cc3c(c2C)O/C(=C\c2ccc(C(=O)OC)cc2)C3=O)C1 1871353429 QEUUAGOYWLEEBQ-XKZIYDEJSA-N 435.520 5.130 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 1871385822 OMXVCYGFPYPMRD-XKZIYDEJSA-N 439.294 6.148 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871387233 KYQXVGXIOOOPRO-HMAPJEAMSA-N 434.875 5.883 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2cccs2)C3=O)cc1 1871411455 OANUDWBOKWKDDV-LRSOKBAUSA-N 433.529 5.641 30 10 IKEE Cc1cccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2cccs2)C3=O)c1C 1871413799 OUPFBXVTYMWKRX-RIWZNOJBSA-N 433.529 5.696 30 10 IKEE Cc1cc(C)c(COc2ccc3c(c2C)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1C 1871417273 GBXVKWQAZCAWQP-DICXZTSXSA-N 426.556 7.239 30 10 IKEE CCOc1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O 1871417554 DLRPTAIFXLMGSQ-QRVIBDJDSA-N 449.890 5.372 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2)C3=O)cc1Cl 1871456421 DFSLKLGQYQCGHV-JJFYIABZSA-N 433.891 5.591 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1871763264 XDGHFGCYJZXGMG-HSZRJFAPSA-N 442.625 5.294 30 10 IKEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1871824427 JPERALKAQOVWPG-OAQYLSRUSA-N 442.625 5.329 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1cccs1 1872219138 CHEWENDCQDKINW-FQEVSTJZSA-N 448.654 5.420 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(C)cc1 1872412851 WCQRPYGBAHYKCL-QHCPKHFHSA-N 428.598 5.068 30 10 IKEE CCCc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 1872768934 FVNFZKXEHYFWMA-KRWDZBQOSA-N 445.371 6.325 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(Cl)ccc3Cl)n2)cc1 1872770298 PLZXZLNBEDGBSB-KRWDZBQOSA-N 431.344 6.396 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@H](C#N)C(=O)CCCOc2ccccc2C)n1 1872780294 FDVCAIDTHMHEJP-HXUWFJFHSA-N 434.561 5.779 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1OC 1872789776 UXRBPJHOLWWSSG-YVARQFDVSA-N 444.965 5.822 30 10 IKEE COc1ccc([C@H](C)NC(=O)c2cccc(CSc3nc(C)c(C)c(C)c3C#N)c2)cc1 1872893293 QEXFWESMMLIGRZ-IBGZPJMESA-N 445.588 5.670 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(C)ccc2OCC)=C(c2ccc(C)cc2)C1=O 1873367440 BNVCWEOUDCDTBG-UHFFFAOYSA-N 448.607 6.255 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(F)cc1 1874205338 WJJUSBBVGZFXMS-FOKLQQMPSA-N 437.327 5.463 30 10 IKEE CCCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccc(F)cc1 1874218159 XZEAZKZJEXXEMR-WYMPLXKRSA-N 432.952 5.651 30 10 IKEE COc1ccc(OCCCc2nnc(SC)n2/N=C/c2ccc(C(C)(C)C)cc2)cc1 1874219965 NSKZWCDRZVPQPC-KOEQRZSOSA-N 438.597 5.200 30 10 IKEE C=CCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc(OC)cc1 1874232097 BGVHCWMZGZRKEB-NLRVBDNBSA-N 428.561 5.385 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CCc2cccc3ccccc23)nnc1SCC 1874232347 UQAJWQRDHAJRMN-ZXVVBBHZSA-N 442.588 5.776 30 10 IKEE CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1cn(C)c2ccccc12 1874244203 SWJNMWLREQNULS-CVKSISIWSA-N 433.625 5.523 30 10 IKEE CCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccc(C(C)(C)C)cc1 1874255199 PFIXTAVJBWRTDB-CVKSISIWSA-N 436.625 6.074 30 10 IKEE Cc1cccc(/C=N/n2c(COc3ccccc3Cl)nnc2SCc2ccccc2)c1 1874266861 SRCHDYNQDDMVIQ-CVKSISIWSA-N 448.979 5.993 30 10 IKEE Cc1cccc(OCc2nnc(SCc3ccc(F)cc3)n2/N=C/c2cccn2C)c1C 1874321642 CBLJBHKUKVXDQM-VULFUBBASA-N 449.555 5.126 30 10 IKEE Fc1cccc(CSc2nnc(Cc3ccc(Cl)cc3)n2/N=C/c2cccnc2)c1 1874336361 KHOJSUQCJNOCSU-VULFUBBASA-N 437.931 5.231 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCOc3ccccc3)n2/N=C/c2ccncc2)c1 1874346409 NGSWRJDLTNNZSS-WPWMEQJKSA-N 443.576 5.086 30 10 IKEE CCc1ccc(/C=N/n2c(CCc3cccs3)nnc2SCCc2ccccc2)cc1 1874371220 OWVZMLBDWXVFSP-LGUFXXKBSA-N 446.645 5.904 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccccc3)n2/N=C/c2ccc(Cl)cc2)cc1 1874382792 IUQXNEABYHGOSX-CVKSISIWSA-N 448.979 5.993 30 10 IKEE Cc1cccc(/C=N/n2c(COc3ccccc3)nnc2SCc2ccccc2C)c1 1874383455 BCCLSFKAPDXGSM-WGOQTCKBSA-N 428.561 5.648 30 10 IKEE Cc1ccccc1/C=N/n1c(CC(C)(C)C)nnc1SCc1c(Cl)cccc1Cl 1874439448 BKEUHZJCJHLYSU-DHRITJCHSA-N 447.435 6.656 30 10 IKEE Cc1ccc(CSc2nnc([C@H]3CCCO3)n2/N=C/c2ccc(C(C)(C)C)cc2)cc1 1874441583 CPVFSJDOTLBXJC-XDEFOSFOSA-N 434.609 5.910 30 10 IKEE CN(C)c1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2[C@@H]2CCCO2)cc1 1874450610 GUFFPASPBJXKCN-PGLVWIQMSA-N 441.988 5.024 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2ccccc2F)o1 1874455019 XEIIWIYFCQDISQ-ZMOGYAJESA-N 442.516 5.019 30 10 IKEE COCCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874470916 DFNAASMJCPIVDG-MFKUBSTISA-N 426.561 5.078 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874475958 BFIVIZJYJFGKKY-WSDLNYQXSA-N 445.932 5.062 30 10 IKEE Cc1ccccc1/C=N/n1c(CC(C)C)nnc1SCC(=O)Nc1cccc(C)c1C 1874488674 DGGBGZKGIQRAJW-AFUMVMLFSA-N 435.597 5.015 30 10 IKEE CCCCC1CCC(c2nnc(S)n2/N=C/c2ccc(OCCC)c(OC)c2)CC1 1874563679 RKEICWYAEOJHHR-LFVJCYFKSA-N 430.618 5.710 30 10 IKEE C=C(C)COc1ccc(Br)cc1/C=C/C(=O)c1ccc(-c2ccccc2)cc1 1874570324 VZUBTABVDAEUFU-WYMLVPIESA-N 433.345 6.967 30 10 IKEE Cc1cc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)ccc1F 1874581271 FCVOWZKNVUSLOO-XBXARRHUSA-N 449.736 7.569 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c([N+](=O)[O-])c2)ccc1F 1874618846 VWTVAVOULRPTIW-ONNFQVAWSA-N 425.843 6.171 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)c(C)c1C 1874626737 UKMCNGNBJKPTEK-IZZDOVSWSA-N 441.354 7.094 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc4nc(C)c(C)nc4c3)c2)c1 1874703138 AJMFSEMTWRSYQZ-JLHYYAGUSA-N 436.511 5.979 30 10 IKEE CCOc1cccc(C(=O)Oc2cccc(/C=C/C(=O)c3cc(OC)ccc3OC)c2)c1 1874706541 NFCACAVVSLIYOV-ACCUITESSA-N 432.472 5.218 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)ccc1OC(=O)Cc1ccc(F)c(C)c1 1875102906 HANMIEFLPSQKLY-NTEUORMPSA-N 446.518 6.139 30 10 IKEE O=C(Cc1cccs1)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 1875125919 HTAMEBLTZSCIEG-YCRREMRBSA-N 427.865 5.354 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)C(F)(F)F)c(Br)c2)cc1 1875130190 MBTPXGYIHCPFDX-YCRREMRBSA-N 443.215 5.212 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OC(=O)C(C)(C)C 1875149550 WGEKYKJHGSVQOD-NTEUORMPSA-N 442.983 6.884 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1)c1ccc(F)c(F)c1 1875161768 GUMUWMXMDIYLBR-XCVCLJGOSA-N 443.789 5.642 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OC(=O)[C@H]1CCCO1 1875169885 CTGCMWBIGITJCX-UWHSVAFCSA-N 448.559 5.638 30 10 IKEE COc1cc(C(=O)/C=C/c2ccc(OC(=O)C(F)(F)F)c(Cl)c2)c(OC)cc1Cl 1875173718 MIGPQRPWMPLHJP-HWKANZROSA-N 449.208 5.374 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2ccc(OC(=O)c3ccco3)c(OC)c2)cc1Cl 1875175704 BVNABLBJFXMFGS-SOFGYWHQSA-N 442.851 5.074 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)ccc1OC(=O)c1ccccn1 1875181426 FYMIFCXAMNHWDD-VQHVLOKHSA-N 437.879 5.176 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)C3CCCC3)c(Cl)c2)c(OC)c1OC 1875194251 JHYXUARVLHESKX-DHZHZOJOSA-N 444.911 5.358 30 10 IKEE C#CCCCCC[C@@H](N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875646722 PKLCRBNKRNDCGK-GGXMVOPNSA-N 443.587 5.789 30 10 IKEE O=C(Nc1ccc(C(F)(F)F)c(F)c1)c1cc(Br)cc(OC(F)(F)F)c1 1889932288 BCMBZZFGXUPNCU-UHFFFAOYSA-N 446.116 5.758 30 10 IKEE CN(CC1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1)c1ncccc1C#N 1891620920 PGGRMVYHMJWCEG-UHFFFAOYSA-N 425.536 5.060 30 10 IKEE CC(C)[C@@H](CS)CSc1cc(I)ccc1Br 1900790873 ANSIGUZCQLRTFO-VIFPVBQESA-N 431.202 5.348 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@H](C#N)c1c(Cl)cccc1Br 1931397830 MDQHZKOZIIXYNB-QGZVFWFLSA-N 435.749 6.104 30 10 IKEE 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 1944417933 IOXZSQALANNUTC-PDOGEWKWSA-N 433.593 5.095 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@](C)(C#N)[C@H]1CCCSC1 2029444611 VKEAMUOXHAEXLO-IFXJQAMLSA-N 425.392 5.616 30 10 IKEE CC1=NN(c2ccccc2)C(=Cc2ccc(Cl)cc2)C1=Nc1ncc(Cl)cc1Cl 2040469245 GMZPGJVFAYPWTJ-UHFFFAOYSA-N 441.749 7.052 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(Br)ccc(Cl)c1F 2063089606 BRZMYBBOHPOWNC-XJKSGUPXSA-N 435.765 5.362 30 10 IKEE C=CCN1CC[C@H](NC)[C@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071343360 CIRDJHLLNFQWTL-LBNVMWSVSA-N 428.576 5.365 30 10 IKEE CC(C)c1nn([C@@H](c2ccc(C(F)(F)F)cc2)C2CCC2)c(Br)c1C#N 2079845108 PTIVALNUHXTISA-QGZVFWFLSA-N 426.280 6.049 30 10 IKEE CCCc1ccc([C@H](C2CCC2)n2nc(C3(C)CC3)c(C=NO)c2Br)cc1 2079876289 HCGSHSOZEPKLKR-IBGZPJMESA-N 430.390 5.847 30 10 IKEE CC1(c2nn([C@@H](c3ccc(C(F)(F)F)c(F)c3)C3CC3)c(Br)c2C#N)CC1 2080006683 RGFADSKIENAOJK-OAHLLOKOSA-N 442.254 5.726 30 10 IKEE CCCOc1ccc([C@@H](C2CC2)n2nc(C(F)(F)F)c(C#N)c2Br)cc1 2080078249 QKUADRVTWAPGKU-OAHLLOKOSA-N 428.252 5.324 30 10 IKEE CN[C@H](CC#CC1CCCCC1)c1cc(I)ccc1Br 2149863615 CLXYDGPUHKZZAG-QGZVFWFLSA-N 446.170 5.288 30 10 IKEE CC[C@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1c1cc(Cl)c(F)cc1C#N 2184423573 SNSVEMULHINHDW-RBUKOAKNSA-N 429.923 5.367 30 10 IKEE CCCN[C@H](CC#CC(C)(C)C)c1ccc(Br)cc1I 2207265511 RVMOWQGJVFVEEY-MRXNPFEDSA-N 448.186 5.534 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](CC[C@H](O)C#Cc2ccccc2Br)C1 2235729369 IYSWEOSPNCENCO-UHOSZYNNSA-N 436.390 5.025 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)C1(C#N)CCC(NC(=O)OCc2ccccc2)CC1 2244546585 NNMRQICNWRACSD-UHFFFAOYSA-N 449.551 5.559 30 10 IKEE C=C(C)CCCC[C@H](NCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2250146799 YFAZPNMXTGBPLY-QHCPKHFHSA-N 430.633 5.555 30 10 IKEE CCN[C@@H](CC#CC1CCCC1)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2251480328 BMJUJZBWRFSPRN-NKKJXINNSA-N 428.617 5.047 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCC(=O)O)c1sc(Cl)cc1Br 2252122588 LHNDPQUDVBRUHC-INIZCTEOSA-N 431.735 5.079 30 10 IKEE C=CCCCCCC[C@H](NCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2256699590 FDYQMFZHQOQJOX-DEOSSOPVSA-N 444.660 5.945 30 10 IKEE CC1(NC(=O)OCc2ccccc2)CCC(Nc2ccc(Br)cc2C#N)CC1 2258942700 WYXSYEFWKJAPME-UHFFFAOYSA-N 442.357 5.360 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cccc(Cl)c1Br 2259408878 UZALSKFQGOUXTC-RDJZCZTQSA-N 431.802 5.613 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1sc(Br)c(C)c1C 2265918388 HDDVGUDWPWFMJU-CVEARBPZSA-N 443.451 5.475 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)c1sc(CC)cc1Br 2275138109 UTLCLNYGUZITHA-IBGZPJMESA-N 439.371 5.378 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc(OCCNc2c(Br)cccc2C#N)c1 2285181157 QLTBDRZSVRUTTG-UHFFFAOYSA-N 432.318 5.159 30 10 IKEE CCN1C(=C2SC(=Nc3ccccc3)N(c3ccc(C)cc3)C2=O)Sc2ccccc21 2295170714 KFFIOYGIJRAKFE-UHFFFAOYSA-N 443.597 6.564 30 10 IKEE CN[C@H](C#Cc1ccccc1Cl)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2295221390 IXHMEOXSFQTQNI-GOSISDBHSA-N 449.776 5.762 30 10 IKEE CC(C)(C)OC(=O)N1CCC(CCCC(=O)C#Cc2cccc(Br)c2)CC1 2296224431 JUQYQIIXDHYOIM-UHFFFAOYSA-N 434.374 5.187 30 10 IKEE O=C(C=Cc1ccccc1)Oc1ccc2c(c1)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2296596616 XNCYFTINFGSUNZ-UHFFFAOYSA-N 444.486 6.589 30 10 IKEE CCCCCOc1ccc(C=C2CCC(=Cc3ccc(OCCCCC)cc3)C2=O)cc1 2297334180 LQPOYLDVQBSJKO-UHFFFAOYSA-N 432.604 7.655 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@H]2c2ccccc2F)cc1 2297735012 JUPPCYMDCKUKNV-XMMPIXPASA-N 429.447 5.017 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1ccc2c(c1)OC(=Cc1ccccc1Cl)C2=O 2314438111 HVOAPBFTOQNEEE-UHFFFAOYSA-N 436.847 5.193 30 10 IKEE O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(Cl)cc1 2314477157 BWQDHHWYEKOTTR-RUZDIDTESA-N 443.930 5.561 30 10 IKEE N#Cc1nc([C@@H]2C[C@@H]2c2ccccc2)oc1NN=Cc1ccc(OC(=O)c2ccccc2)cc1 2320837030 IBVIJOUYVVHZSP-DHIUTWEWSA-N 448.482 5.483 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CC2)c1 2320858341 OAPKNUGVWFICBX-UHFFFAOYSA-N 426.973 5.772 30 10 IKEE CCc1nnc(SCc2ccccc2F)n1N=Cc1cccc(OCc2ccccc2)c1 2321004453 LQOYLCGKILHCCG-UHFFFAOYSA-N 446.551 5.733 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Cl)cc(OC)c1OCc1ccc(F)cc1 2322481711 YUIGLNYFJSDOCL-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cc(Br)ccc2OCc2ccccc2F)c1 2322615764 WUXRLFJFSIOTJV-UHFFFAOYSA-N 439.324 6.680 30 10 IKEE COc1cccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)c1OCc1ccc(Cl)cc1 2322844901 SVKHKXBSSFHCFP-UHFFFAOYSA-N 434.963 7.057 30 10 IKEE C=C(C)COc1c(C=CC(=O)c2cc(OC)c(Cl)cc2OC)cc(Cl)cc1OC 2322872586 LCCZRHSHLNIWOE-UHFFFAOYSA-N 437.319 5.870 30 10 IKEE Cc1c(OC(=O)COc2ccccc2)ccc2c1OC(=Cc1c(F)cccc1Cl)C2=O 2322948767 NYNBHCKCFREKES-UHFFFAOYSA-N 438.838 5.388 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OCC(=O)Nc1ccc(F)cc1 2323138510 DJTIFYKHUGMOJI-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE CCN(CC)C(=O)COc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC 2323149346 LKOBGWKLGNGFDJ-UHFFFAOYSA-N 436.335 5.145 30 10 IKEE Cc1ccc(NC(=O)COc2cccc(C=CC(=O)c3ccc(C(C)C)cc3)c2)c(C)c1 2323211502 JBRGCZONEMURML-UHFFFAOYSA-N 427.544 6.340 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2cccc(OCc3ccc(F)cc3)c2)cc1Cl 2323279794 NQFHKSABWPDXRP-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1OCc1ccccc1C 2323303092 HFTKFZQISWZYLR-UHFFFAOYSA-N 428.572 7.085 30 10 IKEE CCOc1cc(C=NS(=O)(=O)c2ccc(C)cc2)ccc1OCc1cc(C)ccc1C 2323454015 WCENLUBRVAGSEH-UHFFFAOYSA-N 437.561 5.397 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc21 2323561815 UYPPAQWZOQCCMU-UHFFFAOYSA-N 444.826 5.282 30 10 IKEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(F)cc1 2323674710 UKFSBVNWWDKGCJ-UHFFFAOYSA-N 441.842 5.871 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2OC)cc(OC)c1OCc1ccccc1Cl 2323718586 FMNMTNALSJHRNG-UHFFFAOYSA-N 448.946 6.561 30 10 IKEE N#C[C@@H](C(=O)C=Cc1ccc(Cl)cc1Cl)c1nc(-c2c[nH]c3ccccc23)cs1 2324672805 PQZAXWYDENNYDL-INIZCTEOSA-N 438.339 6.488 30 10 IKEE O=C(COc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O)Nc1c(F)cccc1F 2325507327 YQUYJGNZPQMBGY-UHFFFAOYSA-N 433.410 5.155 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2Cl)cc1OC(=O)c1cccc([N+](=O)[O-])c1 2325717100 VEUHMRBUBSGTMK-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc(OCC(=O)Nc3cccc(C)c3)c2C)C1=O 2325727339 NHIFSYLFCDIWQG-UHFFFAOYSA-N 443.499 5.336 30 10 IKEE COc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1 2325732015 ACVDXVIKAVMGTN-UHFFFAOYSA-N 441.483 5.194 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1OC(=O)C1CCC1 2325754555 ZLBKFABIEYGLIH-UHFFFAOYSA-N 428.484 6.089 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1OC(=O)Cc1ccccc1F 2325756371 JYFIBOHITAMKCJ-UHFFFAOYSA-N 446.518 6.112 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3sccc3C)c2)c(OC)c1 2325760778 BVAZQULHVKDHSA-UHFFFAOYSA-N 438.501 5.198 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(F)cc3F)c2)c(OC)c1 2325761201 DEVGOLCMLMWISV-UHFFFAOYSA-N 438.426 5.026 30 10 IKEE CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccc(C(C)(C)C)cc1 2326099420 RWGMYLYMHMEWHF-UHFFFAOYSA-N 443.016 6.029 30 10 IKEE CCCOc1ccc(C=Nn2c(CC)nnc2SCc2ccc(F)cc2)cc1Cl 2326238567 BEMXHLJJUVLISQ-UHFFFAOYSA-N 432.952 5.596 30 10 IKEE CCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1cc(Br)ccc1O 2326442308 NGDPZIBGQUZXPX-UHFFFAOYSA-N 445.386 5.100 30 10 IKEE CCCOc1ccc(C=Nn2cnnc2SCc2ccccc2Cl)cc1OCC 2326532770 YWHNLGZXHZPESD-UHFFFAOYSA-N 430.961 5.294 30 10 IKEE CCn1cc(C=Nn2c(C)nnc2SCc2cccc3ccccc23)c2ccccc21 2326637336 LUGHHMGFLVNNDK-UHFFFAOYSA-N 425.561 5.889 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccc(Cl)cc3)n2N=Cc2ccco2)cc1 2327509120 NPFVVKFHMDCTFN-UHFFFAOYSA-N 438.940 5.586 30 10 IKEE C=CCSc1nnc(CCc2cccc(OC)c2)n1N=Cc1c(Cl)cccc1Cl 2328652952 SBBYHOUYRBDYJG-UHFFFAOYSA-N 447.391 5.539 30 10 IKEE C(=Nn1c(CCCOc2ccccc2)nnc1SCc1ccccc1)c1ccccc1 2328746249 BZKUYWFBOQYQKK-UHFFFAOYSA-N 428.561 5.464 30 10 IKEE COc1cccc(C=Nn2c(COCc3ccccc3)nnc2SCc2ccccc2)c1 2329341213 HZRMUALICLTKQT-UHFFFAOYSA-N 444.560 5.178 30 10 IKEE O=C(COc1ccccc1)Oc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1Cl 2330683634 AJOMVVCGWGDWRG-UHFFFAOYSA-N 446.930 6.099 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OC(=O)C(C)(C)C 2330701206 CZLFPBHEVQTTAA-UHFFFAOYSA-N 432.560 6.150 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(OC)c2)ccc1OC(=O)c1ccc(C)cc1 2330730249 FMCSAELHRHSKAE-UHFFFAOYSA-N 446.499 5.526 30 10 IKEE Cc1ccccc1C=Nn1c(CC(C)(C)C)nnc1SCC(=O)Nc1cccc(C)c1C 2330807768 XWVTVAOFNPELGO-UHFFFAOYSA-N 449.624 5.405 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc(Cl)ccc3OC)cc2)cc1C 2330855698 DZPMKDYOQYANQG-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE O=C(Cc1cc(Cl)ccc1Cl)Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1 2330910415 AWPFWVNJYFEOOQ-UHFFFAOYSA-N 445.729 6.691 30 10 IKEE Fc1ccccc1C=Nn1c(SCc2cccc3ccccc23)nnc1[C@H]1CCCO1 2330979602 KCZXHXVLLHHDSJ-JOCHJYFZSA-N 432.524 5.596 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccc(F)cc1F 2331084360 HLHGJEOUWAXWCC-UHFFFAOYSA-N 443.789 5.642 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)CCc1ccccc1 2331292970 CGJCSBXFDQEUQO-UHFFFAOYSA-N 440.539 6.166 30 10 IKEE COCCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1sccc1C 2331294263 IVVJMXPPGHNYMN-UHFFFAOYSA-N 441.409 5.318 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)c1cccc(C)c1 2331318597 FMICRZWLZMXODO-UHFFFAOYSA-N 430.500 5.744 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)cc3)c([N+](=O)[O-])c2)c1 2331320524 AECDPEDADHGGFE-UHFFFAOYSA-N 433.435 5.395 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1 2331362242 MWABVKPVWNFCKG-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C(C)(C)C)c1 2331385488 HVSOUGHDUUTVHE-UHFFFAOYSA-N 439.541 5.057 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C(C)(C)C)cc1 2331409131 YDHPVLKKSAMZKU-UHFFFAOYSA-N 443.016 6.192 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(C)c3C)cc2)cc1 2331612315 FJHIYIIXHLAXMF-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1OC(=O)c1ccncc1 2331640727 ULSXSXUEOGNWKM-UHFFFAOYSA-N 449.934 6.093 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3cc(C)cc(C)c3OC)cc2)cc1 2331659438 CKMCZKKHBVTWIH-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3sccc3C)cc2)c(OCC)c1 2331731250 UFLOYCJWFHFGHK-UHFFFAOYSA-N 436.529 5.969 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(F)cc2F)cc1 2331741370 DBRSJTFTKWNDPS-UHFFFAOYSA-N 442.845 6.051 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2cc(C)c(OC)cc2C)cc1Br 2331846098 OMWWPGJSLUCCLT-UHFFFAOYSA-N 445.353 6.066 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)ccc1OC(=O)C1CCC1 2331869823 WSBDBIVDECOVBX-UHFFFAOYSA-N 430.500 5.849 30 10 IKEE CC(C)(CCNC(=O)OC(C)(C)C)COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339574850 NYUNEZANQJZNGK-WYMLVPIESA-N 446.397 5.046 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1CNc1cc(Br)ccc1C#N 2358977242 SRXABXMZSBXTJK-YJLNNSPDSA-N 434.378 5.301 30 10 IKEE CC(C)Oc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(F)c2)cc1 21234698 UGLLYKIQIGPPAM-NGOKVRLYSA-N 442.534 6.592 30 10 IKEE C=CCc1ccccc1OCCCn1c(-c2ccc(OC)c(OC)c2)nc2ccccc21 40249860 VBBFFOWWYRYBNE-UHFFFAOYSA-N 428.532 5.918 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OCc4cc(C)ccc4C)c3C)C2=O)c1OC 41433545 XBHVPCKDYGILHE-OYKKKHCWSA-N 430.500 5.824 30 10 IKEE CCCCCCCCCCCCCCCCn1c(COc2ccccc2)nc2ccccc21 102184763 BPIGTRJLUFWPCQ-UHFFFAOYSA-N 448.695 9.097 30 10 IKEE COc1ccc(-c2nc(SC)nc(N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c2C#N)cc1OC 103876654 BYDJMJNHWJCWAP-GYCJOSAFSA-N 438.597 5.159 30 10 IKEE C=CCOc1ccc(/C=C2/S[C@H](Nc3ccc(CC)cc3)NC2=O)cc1Br 108757065 AMFZFKFGBQGKPC-UBXANZILSA-N 445.382 5.176 30 10 IKEE C=C(CC[C@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C)C(C)C 119225011 HUNLTIZKNQDZEI-FUFMKCHNSA-N 426.729 8.025 30 10 IKEE biogenic,in-man C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@]35CC[C@]12C)C(C)C 121236636 AEAWOMODYBIREN-ZVHUDZMGSA-N 438.740 8.623 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\n2c(S)nnc2[C@H]2CCCO2)cc1OC 169912779 XKGPUTOWMNGLRJ-JJWXFRNXSA-N 446.617 5.439 30 10 IKEE CCN1C(=S)N[C@H](c2ccc(Oc3ccccc3C)cc2)C(C(=O)c2ccccc2)=C1C 169931973 MSPCOZUJYZWQSJ-RUZDIDTESA-N 442.584 6.195 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccccc2)cc1 170048775 YQVJQGVXDITOQT-RUZDIDTESA-N 425.528 6.155 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@H]2c2ccccc2)cc1 170049247 DKWNIFKRCNTSMJ-VWLOTQADSA-N 439.555 6.329 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2ccc(C)cc2)=C(N(CC)c2ccccc2)C1=O 170076981 RDUGULWHXMQCAD-UHFFFAOYSA-N 446.635 6.742 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2ccccc2C)c1 170086775 GDJQFDKUFNLHRO-XMMPIXPASA-N 443.499 5.185 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(OC)cc2)cc1 170114793 MEKOYUIGMCIHBV-QHCPKHFHSA-N 435.520 5.005 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2OC)c1 170123664 OBJOWGPTYNQGPB-QHCPKHFHSA-N 435.520 5.005 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(O)cc1)c1cc2cc(Cl)ccc2o1 170132882 KHYKUWICBSGXPF-JOCHJYFZSA-N 445.858 5.575 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(O)cc1)c1cc2cc(Cl)ccc2o1 170138545 UUSCBACOKXNUPS-OAQYLSRUSA-N 437.879 5.313 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccccn2)c1 170172111 NTKCPGYPHOSRJN-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2cccnc2)c(C)c1 170190340 CFXHIMYHWHLLBI-VWLOTQADSA-N 438.527 5.360 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2ccccc2)c1 170221317 VPVSWOIGFNKSLP-XMMPIXPASA-N 443.499 5.267 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1)c1ccc2c(c1)CCCC2 170223394 RZCGIKUOVDCZQJ-DEOSSOPVSA-N 427.475 5.487 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccccc2)c1 170224808 MRLWHDOHMQEXII-DEOSSOPVSA-N 443.499 5.267 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@H]1c1ccccc1F 170252524 GXPQMTBSTIAKPH-JOCHJYFZSA-N 439.527 5.510 30 10 IKEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(C4CCCC4)[C@@H]3c3c[nH]c4ccccc34)ccc2O1 170256594 QGEHILPXZAMNGR-OYLFLEFRSA-N 442.515 5.012 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)c(C)c2)[C@@H]1c1cccc(O)c1 170263577 NSXQKQKHJDVOFP-QHCPKHFHSA-N 437.536 5.258 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 170266348 HGMFSZDAYHGKBD-DEOSSOPVSA-N 445.515 5.408 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(CC)cc2)cc1C 170268694 OBKMKKRHPDMBLP-DEOSSOPVSA-N 433.548 5.477 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccc2C)c1 170271396 YBHBZJOYHMSTLE-DEOSSOPVSA-N 427.500 5.485 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(C4CCCCC4)[C@@H]3c3ccccc3C)oc12 170275555 QLMNBBMFSLZSAI-HSZRJFAPSA-N 445.515 5.661 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc3ccccc23)c1 170369327 HLEQNOHGAPVXOI-AREMUKBSSA-N 449.506 5.940 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1cccc2ccccc12)c1cccs1 170369497 LKVRTOJKQAWFTE-QFIPXVFZSA-N 447.462 5.962 30 10 IKEE COc1cc(/C=C\C(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccc2)ccc1OCC#N 213674497 DPZVORPXVBAIDW-GFJACMPZSA-N 446.934 5.364 30 10 IKEE C=CCSc1ccccc1NC(=O)c1cc(Br)sc1Br 227266437 ZVXZIPZMISONTB-UHFFFAOYSA-N 433.190 5.804 30 10 IKEE CC(=NNc1nnc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1)c1ccccc1 254751811 OTYACJKZROBNFJ-UHFFFAOYSA-N 440.550 7.314 30 10 IKEE Cc1c(Br)c2ccccc2n1Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 306109539 SVXKUYIZDQBVLG-UHFFFAOYSA-N 426.163 5.060 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(Cl)cccc1Br 407160046 MTHDHRSZRYREQV-WBVHZDCISA-N 431.802 5.613 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3Cl)[C@H]2c2cccs2)cc1 526490324 MAIDXRKVDQUGJA-LJQANCHMSA-N 427.312 5.984 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1 526608217 GWGYHSHDQYRHTO-OAQYLSRUSA-N 439.273 6.061 30 10 IKEE CCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1c(C)n(CC)c2ccccc12 526825640 HSQVYPUSNRZZOK-YSMPRRRNSA-N 435.572 5.827 30 10 IKEE CCCCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1/N=C\c1ccccc1F 526831870 XUYYJPSHLWPTFC-CFRMEGHHSA-N 444.532 5.093 30 10 IKEE CC(C)(C)c1ccc(-c2c3ccccc3c(B3OC(C)(C)C(C)(C)O3)c3ccccc23)cc1 642881509 GYHKHUKTIVVSLA-UHFFFAOYSA-N 436.404 7.257 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)CN(C(=O)OC(C)(C)C)C(C)(C)C 698417751 HDCNUBLBVXUJBK-GOSISDBHSA-N 431.577 5.664 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)COCc2ccccc21 698445618 PMQSZQTXBLUIPM-NRFANRHFSA-N 429.314 5.140 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1cc(F)cc(Cl)c1 698452067 OPJZKQLXBDAWQR-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 698883998 IUCFHODTSCLIPT-WAIKUNEKSA-N 433.524 5.106 30 10 IKEE C=C1CCC(C[C@@H](NCC)c2ccc(I)c(Br)c2)CC1 724603304 UIWQJRPJIKCHHT-QGZVFWFLSA-N 448.186 5.841 30 10 IKEE CN(C)c1ccc(C=NN2CCN([C@@H]3Cc4ccccc4Sc4ccccc43)CC2)cc1 725430098 BFXFWBVVOHPTLH-RUZDIDTESA-N 442.632 5.153 30 10 IKEE C=C(C)[C@@H](O)CC[C@](C)(O)[C@H]1CC[C@@]2(C)[C@@H]1CC[C@H]1[C@H]2CC[C@@H]2C(C)(C)C(=O)CC[C@]12C 936069335 SCSPVSFAVCLWPP-HCJMWPKZSA-N 444.700 6.319 30 10 IKEE C[C@@H]1CCCC[C@@H]1N/C(=N/CCCN1CCCC1=O)Nc1cc(-c2ccccc2)ccc1O 1088709954 IBEVINIVDUIWAH-OFNKIYASSA-N 448.611 5.008 30 10 IKEE C=C1SC(=Nc2cc(C)c(C)cc2C)N(C(=O)c2cc3ccccc3oc2=O)C1(C)C 1088733731 BWVJDPDRFVPXJW-UHFFFAOYSA-N 432.545 5.887 30 10 IKEE COc1ccc(OC)c(/C=C2/SC(=Nc3nc(C)cs3)N(c3ccccc3)C2=O)c1 1772740103 WDNSBQIVGCENSG-VLTWACRQSA-N 437.546 5.277 30 10 IKEE C/C(C=NN=C1S/C(=C\c2ccccc2O)C(=O)N1Cc1ccco1)=C\c1ccccc1 1772758842 FUFQHHQTFBJBSE-BCUWXCOBSA-N 443.528 5.547 30 10 IKEE CCCOc1ccc(/C=C/C(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC 1860728231 CVWBQDVJOCDHTN-OQLLNIDSSA-N 445.515 5.284 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)c1c(Cl)ccc(Cl)c1OC 1861145829 ZVGFNNLWNHDGNR-GOSISDBHSA-N 445.431 5.767 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](C)NC(=O)/C=C/c1ccc(Cl)c(Cl)c1 1861567833 KZYGOKDEOSUFPA-VSOYFRJCSA-N 427.416 5.768 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C[C@@H]2CCCO2)c1 1862379721 JDKPCJAYHDPELW-OXJNMPFZSA-N 446.330 5.059 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862394160 CKCFCAUDZMNGHH-KBMIEXCESA-N 433.592 6.529 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@@H]2c2ccc(OCCC)cc2)cc1 1862397112 JTRFUMKAKJMZQP-RUZDIDTESA-N 449.591 6.196 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1cccc(Cl)c1 1862415938 BQWVXXWJYXSVLV-FQEVSTJZSA-N 449.881 5.012 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CCCC2)c1 1862419416 USWKVWONQXXVEW-JOCHJYFZSA-N 441.474 5.275 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1862431503 ISCAUOYCBOJIRU-RCDICMHDSA-N 449.890 5.091 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@@H]1c1cccc(O)c1)c1cccc(Cl)c1 1862442031 FRYKLJHKWNAVRB-JOCHJYFZSA-N 437.923 5.514 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc2cc[nH]c2c1 1862446061 KIGWRTKTSZTHIX-YCASGBEESA-N 448.950 5.978 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2c(F)cc(F)cc2F)=C(O)C(=O)N1C1CCCCCC1 1862455924 GCVRVXWYVPZDDQ-JOCHJYFZSA-N 443.465 5.713 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C)cc2)cc1 1862475860 WBZXCHWHWZQBRN-DEOSSOPVSA-N 427.500 5.091 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 1862481993 KZGCUIJIUHDVET-HXUWFJFHSA-N 432.347 6.070 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(Cl)cc2)c1 1862490802 DRJGGOSFCXNZIP-HSZRJFAPSA-N 437.967 6.258 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cccc(Br)c1 1862509686 NSJZNTKHJZURJP-ORAYPTAESA-N 446.316 5.273 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc3cc[nH]c3c2)cc1F 1862641334 RILSTJOFOGACMF-QHCPKHFHSA-N 448.494 5.227 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cccc2ccccc12)c1cccc2ccccc12 1862651690 ATYJQOSZTMJNFI-HHHXNRCGSA-N 447.534 6.514 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(C(C)C)cc3)[C@@H]2c2ccccc2)c1 1862660107 HVMQVIZKTFIWQK-SANMLTNESA-N 439.555 6.205 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(C(C)C)cc1 1862664742 QPJRREOZJLFFIZ-AREMUKBSSA-N 447.619 7.092 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(C)cc1 1862687892 QZUAZYBPVKBVMN-XUZZJYLKSA-N 435.564 5.941 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2Cc2ccc(C)cc2)cc1 1862687923 PXYPCHWHXQFRHY-VWLOTQADSA-N 441.527 5.345 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccc(F)cc2F)c1 1862700894 QYXFIIANEFKHHO-NPMXOYFQSA-N 449.453 5.313 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2C2CCCC2)cc1 1862707725 CLBRDCCQYVSPIQ-XMMPIXPASA-N 448.563 5.062 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862708188 OKAXGYUHGGYYFA-GAJHUEQPSA-N 437.536 5.251 30 10 IKEE CCCCCCCCNC1=C(c2cc(C)ccc2C)C(=O)N(CCc2cccs2)C1=O 1863741968 RYVVQORAZCYAJB-UHFFFAOYSA-N 438.637 5.638 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(N2CCCCC2)cc1 1866029901 NWPFYSLNUMWNSS-UHFFFAOYSA-N 442.732 8.877 30 10 IKEE Cc1cccc(-c2ccc3[nH]c(C(=O)Nc4sc5c(c4C#N)CCCC5)cc(=O)c3c2)c1 1866562935 SMUJESGYXUWRRF-UHFFFAOYSA-N 439.540 5.568 30 10 IKEE CCc1nc(Nc2ccccc2C#N)cc(N2CCC(Oc3ccc(Cl)cc3)CC2)n1 1868286183 AXHVJEDGMSMMBG-UHFFFAOYSA-N 433.943 5.355 30 10 IKEE CCCc1nc(Nc2cccc(C#N)c2)cc(N2CCO[C@H](c3ccc(Cl)cc3)C2)n1 1868378195 IAUNKMVYFKLERI-NRFANRHFSA-N 433.943 5.276 30 10 IKEE CC(C)c1ccc(/C=C/C(=O)Nc2c(C#N)nnn2-c2ccc(Nc3ccccc3)cc2)cc1 1870140976 UBAIFQDQTHOZIG-LICLKQGHSA-N 448.530 5.658 30 10 IKEE C=CCn1cc(OCc2ccc(C(=O)OC(C)C)cc2)c(=O)cc1CSC(C)(C)C 1870225377 YTKUGCOGNFAANU-UHFFFAOYSA-N 429.582 5.210 30 10 IKEE CCc1ccc(COc2cn(CC)c(CSc3nc(C)c(C)c(C)c3C#N)cc2=O)cc1 1870270072 VGZNVZSIFUKJHZ-UHFFFAOYSA-N 447.604 5.494 30 10 IKEE CCCCCCCOc1cn(CCC)c(CNc2ccc(Cc3ccccc3)cc2)cc1=O 1870832062 OMWHDWWMIVKGTH-UHFFFAOYSA-N 446.635 6.810 30 10 IKEE CCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CNc1ccc(F)c(F)c1 1871058422 DZXAYNPLVAYADU-UHFFFAOYSA-N 432.555 6.444 30 10 IKEE CCCCCCCCn1cc(OCCCO)c(=O)cc1CNc1cccc(C(C)(C)C)c1 1871266651 IOUNQXGKVORCNV-UHFFFAOYSA-N 442.644 5.880 30 10 IKEE Cc1cc(OC(=O)CCCOc2ccccc2)cc2c1C(=O)/C(=C/c1ccc(F)cc1)O2 1871371248 MCHANDHFFNWBKT-HAHDFKILSA-N 432.447 5.515 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O)c1ccc(Cl)c(Cl)c1 1871372264 IBYOXSKPFKXQEL-UKWGHVSLSA-N 445.685 6.482 30 10 IKEE O=C1/C(=C/c2ccccc2F)Oc2cc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])ccc21 1871373937 WHIJVEYVYAFBSY-UKWGHVSLSA-N 439.782 5.223 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(OCC)cc4)c3C)C2=O)cc1 1871387465 WOPPFFKNHSBTDF-JLPGSUDCSA-N 444.483 5.628 30 10 IKEE CCOc1ccccc1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1cccs1)C2=O 1871403142 SSVCDYJWUMRUNZ-VOMLJKFNSA-N 449.528 5.477 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2sccc2C)C3=O)cc1 1871411163 LXIIISXQBBUKTK-LRSOKBAUSA-N 433.529 5.641 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccccc1C)[C@H](C)CC)S(=O)(=O)c1c(C)cc(C)cc1C 1872441087 KEVOLXAMZFZEOH-WZONZLPQSA-N 442.625 5.150 30 10 IKEE N#C[C@H](C(=O)/C=C/c1ccc(Cl)c(Cl)c1)c1nc(-c2ccccc2Cl)cs1 1872764085 CWQKFVSOSADGCE-IZPAUZPXSA-N 433.747 6.660 30 10 IKEE N#C[C@@H](C(=O)/C=C/c1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(Cl)cc2)cs1 1872766788 OVOXSGKTXLBRMU-FTPZRKARSA-N 433.747 6.660 30 10 IKEE CC(=O)Oc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 1872769082 JAQFHZYUBYWCQN-HNNXBMFYSA-N 431.300 5.532 30 10 IKEE COc1cc(OC)c(-c2csc([C@@H](C#N)C(=O)C(Cl)(Cl)Cl)n2)cc1Cl 1872782135 FGOJOLILRLRMCV-QMMMGPOBSA-N 440.135 5.027 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)COc2c(C)ccc(C)c2C)n1 1872785013 CHDOXVLWCZQSMI-QFIPXVFZSA-N 446.616 6.597 30 10 IKEE C=CCc1ccccc1OCc1ccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 1872859596 YDBFNUZHSKJALA-UHFFFAOYSA-N 437.923 5.917 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCN(CC)CC)=C(c2ccccc2)C1=O 1873159579 AZYRXTVZFVSWSA-UHFFFAOYSA-N 441.660 5.229 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(F)c2)=C(c2cc(F)cc(F)c2)C1=O 1873318063 IMNTVGWFOZGGMS-UHFFFAOYSA-N 430.470 5.656 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2[C@H](C)CC)=C(c2cccc(Cl)c2Cl)C1=O 1873342063 QRHLMRYUFHTOIP-CQSZACIVSA-N 429.347 5.885 30 10 IKEE C=CCN1C(=O)C(Nc2cc(Cl)c(Cl)cc2Cl)=C(c2cc(C)ccc2C)C1=O 1873396375 HFUTXWWJIOWUPN-UHFFFAOYSA-N 435.738 5.642 30 10 IKEE Sc1nnc([C@@H]2CCCO2)n1/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1873504721 JALSJODPDHAMJJ-RIDKEVFESA-N 449.363 5.186 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(OCC)cc1)n2CC 1873619810 OOKUGFQOSSYQAG-UHFFFAOYSA-N 437.588 5.875 30 10 IKEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3ccc(Cl)cc3C)c(=O)oc2c1 1873903292 QRYSDQAYOGNJQC-UHFFFAOYSA-N 425.912 5.589 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccc(C)c(Cl)c3)c(=O)oc2c1C 1873903375 VBRWXYUXAIZZQR-UHFFFAOYSA-N 425.912 5.508 30 10 IKEE CCCOc1cccc(/C=N/n2c(COc3c(C)ccc(C)c3C)nnc2SCC)c1 1874255341 WMFLHHASFRJGFT-MFKUBSTISA-N 438.597 5.565 30 10 IKEE COc1ccc(CCc2nnc(SCCc3ccccc3)n2/N=C/c2cccs2)cc1 1874307142 HXJREJJBWVCZGD-XIEYBQDHSA-N 448.617 5.350 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CCc2ccc(C)c(C)c2)nnc1SCC=C 1874331263 DHKVQPZUHQNMQD-NLRVBDNBSA-N 432.593 5.405 30 10 IKEE Cn1cccc1/C=N/n1c(Cc2ccc(Cl)cc2)nnc1SCc1ccc(F)cc1 1874337367 RMUIESVVSDAIOM-AFUMVMLFSA-N 439.947 5.174 30 10 IKEE Cc1ccc(C)c(CSc2nnc(COc3ccccc3)n2/N=C/c2ccncc2)c1 1874384425 OIXFRZFNODSURG-CVKSISIWSA-N 429.549 5.043 30 10 IKEE Clc1cccc(/C=N/n2c(COc3ccccc3)nnc2SCCc2ccccc2)c1 1874385953 QVVUILUIHBHLBP-YZSQISJMSA-N 448.979 5.728 30 10 IKEE CCc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccccc2C)cc1 1874406053 CZHRGUBJHCSXCL-OVVQPSECSA-N 432.637 6.446 30 10 IKEE COc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccc(C)cc2)cc1O 1874415302 IXAIQDUIZAQHRM-WGOQTCKBSA-N 444.560 5.066 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccccc2)n1/N=C/c1cccc2ccccc12 1874425865 FCJFQDHZNVVJQY-MTDXEUNCSA-N 434.568 6.581 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2[C@@H]2CCCO2)cc1 1874450485 CKDRYESPGUXVAC-RIDKEVFESA-N 449.363 5.317 30 10 IKEE Clc1ccc(CSc2nnc([C@H]3CCCO3)n2/N=C/c2ccncc2)c(Cl)c1 1874451102 RCLHPPUTTBPCKM-TVSCDJBNSA-N 434.352 5.006 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C(F)(F)F)c(F)c1 1874462689 AWMMPNKYUBMBSD-KTZMUZOWSA-N 432.805 5.403 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccco3)n2/N=C/c2ccccc2C)c1 1874465500 MCNJBDVTDPRHHU-AFUMVMLFSA-N 445.548 5.076 30 10 IKEE CC(C)(C)c1nnc(SCCc2ccccc2)n1/N=C/c1ccc(Cl)cc1Cl 1874484639 GFRIUSYADJQHJN-ZVHZXABRSA-N 433.408 6.099 30 10 IKEE COc1cc(/C=N/n2c(CC(C)C)nnc2SCc2ccccc2Cl)ccc1O 1874489677 FHVHUSSYFVMZJD-FSJBWODESA-N 430.961 5.019 30 10 IKEE CCCN(CCC)C(=O)CSc1nnc(C2CCC2)n1/N=C/c1ccc(C(C)C)cc1 1874497014 POSYYXJFGXAXNP-PCLIKHOPSA-N 441.645 5.292 30 10 IKEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2C(C)C)cc1 1874509192 PJLYGGTVGYRZOI-AFUMVMLFSA-N 435.597 5.194 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1cccc(OCC)c1 1874511443 YKJDXZXOZODYSO-ZMOGYAJESA-N 449.407 6.111 30 10 IKEE CC(C)c1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccccc1C(=O)O 1874514526 BXIPICCPONUFJR-AUEPDCJTSA-N 432.908 5.067 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1cccc(Cl)c1 1874577242 FAZLFZJZZAYSFI-CSKARUKUSA-N 434.363 5.917 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C)cc2)c1OCc1nc(O)c2ccccc2n1 1874579683 BSKWZCMFXFLQTG-CCEZHUSRSA-N 426.472 5.128 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1OCC(=O)NCc1ccco1 1874597099 UROZLZPPLIZCMD-NTUHNPAUSA-N 447.531 5.177 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OCC(=O)NC2CCCCC2)c1 1874599775 CQWMWKPUHHKPON-JQIJEIRASA-N 433.592 6.016 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 1874604445 MVIOOBKEGVRYDK-NTEUORMPSA-N 436.935 6.395 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OCCc3ccccc3)cc2)cc1 1874625392 BYUKSOGBZITTQR-KGENOOAVSA-N 442.599 7.553 30 10 IKEE CCOc1c(Br)cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1Br 1874631733 RFCGKDKEHAATNC-SOFGYWHQSA-N 438.159 6.123 30 10 IKEE Cc1cccc(COc2ccc(/C=C/C(=O)c3cc(C(C)(C)C)ccc3C)cc2[N+](=O)[O-])c1 1874635308 KWPMYWDIPNWLGE-JLHYYAGUSA-N 443.543 6.984 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1OC(=O)c1ccccc1F 1874693629 ONTXHVUODKTYBP-GXDHUFHOSA-N 430.475 5.828 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1OC(=O)c1ccccc1F 1874695349 WHNIQHCRLRBHTN-UXBLZVDNSA-N 445.273 6.256 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)[C@H]2C[C@H]2c2ccccc2Cl)c1)c1ccccc1Cl 1874696775 LKCDMQORAVRLCO-TVTVEFKISA-N 437.322 6.599 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 1874701421 RUPHFZJDXFVVJB-IZZDOVSWSA-N 445.471 5.644 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc4cc(Cl)ccc4n3)c2)cc1 1874701667 DYZZEECFPSARDX-VGOFMYFVSA-N 427.887 6.312 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 1875142674 OPLHGHPHLBEXCF-UXBLZVDNSA-N 435.407 5.166 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3OC)cc2Cl)c1 1875143119 JZTWLLLBKRRDOW-CSKARUKUSA-N 436.891 5.781 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OC(=O)CC(C)C 1875150876 IWZHLQNWXMIEIL-FNORWQNLSA-N 430.884 5.315 30 10 IKEE CCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2cccc3ccccc23)cc1OC 1875154848 ZAOPWSYTXIJLBQ-VAWYXSNFSA-N 439.305 5.822 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1ccc(F)cc1 1875157111 UBHXKPMFAPPMPP-PJQLUOCWSA-N 432.491 6.463 30 10 IKEE Cc1cccc(C)c1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1Cl 1875158203 KPFPEMSPIGCPSU-WUXMJOGZSA-N 438.882 5.976 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2Br)cc1)c1ccc(F)c(F)c1 1875161679 BTGPHYSIIMAENC-KPKJPENVSA-N 443.243 5.843 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]12CCCN(C(=O)OC(C)(C)C)C[C@@H]1C2 1922108344 SWGPOFXYJGSMIO-FXSPECFOSA-N 428.617 5.165 30 10 IKEE CC1(C)CC[C@](C#N)(Nc2cccc(Br)c2)[C@H](CNC(=O)OC(C)(C)C)C1 1927167434 TWVLQSNFHPEMBA-YCRPNKLZSA-N 436.394 5.474 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)CC1(C)C 1934258100 OXSMXVGRNOSAPV-XMMPIXPASA-N 429.561 5.105 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@]1(C#N)CC(C)(C)[C@H]1OCc1ccccc1 1939565947 XBDNTQDSWFQENG-HYBUGGRVSA-N 426.582 5.763 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@]1(C#N)CN(Cc2ccccc2)C2(CCC2)C1 1949701947 NARBCTLGMVIRSL-VWLOTQADSA-N 437.609 5.576 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C1 1997235158 YJHNSABPZJTZHK-HXOBKFHXSA-N 449.617 5.415 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@@]1(C#N)CCCN(Cc2ccccc2)CC1 1997811209 CSHMNORUEYJWMW-VWLOTQADSA-N 439.987 6.030 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C)([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 2022137285 YXRLSGLXLBBOAK-MBSDFSHPSA-N 433.524 5.106 30 10 IKEE CC[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1OC 2067962083 FFVCUGFDYLCUHS-CYFREDJKSA-N 445.560 5.118 30 10 IKEE CCc1nn([C@H](c2ccc(C)cc2C)C(C)(C)C)c(I)c1/C=N/O 2079005743 PBUQDIWIFANVNJ-LASGFXPTSA-N 439.341 5.111 30 10 IKEE CC1(c2nn([C@@H](c3ccc(C4CCC4)cc3)C3(C)CC3)c(Br)c2C=NO)CC1 2079980813 JSSLSLVXQRVCQF-FQEVSTJZSA-N 442.401 6.162 30 10 IKEE Oc1cc(-c2ccc(F)c(C(F)(F)F)c2)nc2c(Br)c(C(F)(F)F)nn12 2080889478 ADJAGAZCHGOKLB-UHFFFAOYSA-N 444.104 5.041 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCCCC[C@H]1Nc1cc(Br)cc(F)c1C#N 2107451548 PQTSVVGWABOBST-CVEARBPZSA-N 426.330 5.098 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCCOC12CCCC2 2155126665 UPKKRPCHARCYIW-FQEVSTJZSA-N 435.362 5.576 30 10 IKEE COC[C@]1([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)CC=CCC1 2166533334 PGZPSTQZOKYYQF-RXVVDRJESA-N 435.362 5.456 30 10 IKEE C=CCC[C@@](C)(CO)N(CC(F)(F)F)C(=O)OCC1c2ccccc2-c2ccccc21 2209684165 XYCIIFQQGCBRPB-QHCPKHFHSA-N 433.470 5.517 30 10 IKEE CC[C@H](C)N(Cc1ccccc1)C(=O)c1sc(C)c(C)c1B1OC(C)(C)C(C)(C)O1 2247935178 VNOXVGZWTTZTOF-INIZCTEOSA-N 427.419 5.105 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)C[C@@H]2CCCC[C@H]21 2253872418 UPMRMBPKGKVMQP-NNPDTBDGSA-N 447.620 5.628 30 10 IKEE N[C@@H](C#Cc1ccc(Br)cc1)c1scc(Br)c1Br 2264175470 AWTXVRHREDEDOT-NSHDSACASA-N 449.993 5.087 30 10 IKEE CC(C)[C@@H](C)N(Cc1ccccc1)c1ccnc2ccc(B3OC(C)(C)C(C)(C)O3)cc12 2269894351 RZXNFZYLSRUFIH-HXUWFJFHSA-N 430.401 5.585 30 10 IKEE C=CCCC1([C@H](NCCC)c2ccccc2Br)CN(C(=O)OC(C)(C)C)C1 2281055733 KHQZXXRQBMBXEN-LJQANCHMSA-N 437.422 5.693 30 10 IKEE CCC[C@@]1([C@@H](O)C#Cc2ccc(Br)cc2)CCCCN1C(=O)OC(C)(C)C 2296292393 XXZOKIDQBJDCFL-UGKGYDQZSA-N 436.390 5.121 30 10 IKEE COc1ccc(N=Cc2cc(N=Nc3cccc(C(F)(F)F)c3)ccc2O)cc1OC 2297708263 RGNWKOXWJDMBQD-UHFFFAOYSA-N 429.398 6.594 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]12CCCC[C@@H]1N(C(=O)OC(C)(C)C)CC2 2308697549 FRTJBJUNERUZIQ-CLCZQPDDSA-N 442.644 5.697 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(C(=O)C=Cc2c(Cl)cccc2Cl)cc1 2314429639 LGKAYEJLHDQUHM-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc(Cl)cc1 2314477158 BWQDHHWYEKOTTR-VWLOTQADSA-N 443.930 5.561 30 10 IKEE O=C(C=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(NC(=O)c2cccs2)cc1 2314523374 SQMGXEUXDUTGPD-UHFFFAOYSA-N 444.468 6.065 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@]2(C)CCCCN2C(=O)OC(C)(C)C)c1 2318945696 BSXLONRVWGRSTJ-CJFMBICVSA-N 443.588 5.808 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCc4ccc(Cl)c(Cl)c4)c3C)C2=O)cc1 2321789696 MICORNTWPWKFGQ-UHFFFAOYSA-N 425.311 6.805 30 10 IKEE CC(=O)c1ccc(-c2ccc(C=Nn3c(C)nnc3SCc3cc(C)cc(C)c3)o2)cc1 2321817782 HAVDTYIZCRWJNA-UHFFFAOYSA-N 444.560 5.840 30 10 IKEE FC(F)(F)c1nnc(S)n1N=Cc1ccccc1OCc1ccc(Cl)cc1Cl 2321915034 JCMUXYIGWGVOHI-UHFFFAOYSA-N 447.269 5.354 30 10 IKEE CC(C)(C)Cc1nnc(S)n1N=Cc1ccc(OCc2c(F)cccc2Cl)cc1 2321936845 OYEFVDLZGJKPDA-UHFFFAOYSA-N 432.952 5.409 30 10 IKEE Cc1ccc(C)c(CN2COc3ccc4c(c3C2)OC(=Cc2ccccc2Cl)C4=O)c1 2322170776 SAMHLGCRXQXBKJ-UHFFFAOYSA-N 431.919 5.925 30 10 IKEE CCc1ccc([C@@H](C)N2COc3cc(C)c4c(c3C2)OC(=Cc2ccccc2F)C4=O)cc1 2322260099 VHUZAIOVGURQHQ-GOSISDBHSA-N 443.518 6.226 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2c(Cl)cccc2Cl)cc1 2322371054 KXIQCCMGKHUNMI-UHFFFAOYSA-N 441.354 7.040 30 10 IKEE COC(=O)c1ccc(C=C2Oc3c(cc4c(c3C)OCN([C@H]3CCCC[C@@H]3C)C4)C2=O)cc1 2322391848 WOXGDILIJKVGJU-AOMKIAJQSA-N 447.531 5.128 30 10 IKEE COc1ccccc1C(=O)C=Cc1c(OCc2c(F)cccc2Cl)ccc2ccccc12 2322477360 NKXHPMDEJJKRGX-UHFFFAOYSA-N 446.905 7.116 30 10 IKEE CC1(C)OB(C=C2CCN(Cc3sc(Cl)cc3Br)CC2)OC1(C)C 2322532595 HMHAYSKUPVOHHC-UHFFFAOYSA-N 432.620 5.318 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)c1 2322659933 HRFZUZXWOSZOSW-UHFFFAOYSA-N 442.486 6.471 30 10 IKEE Cc1ccc(NC(=O)COc2ccccc2C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1 2322681149 GISLKFFJQCXCEO-UHFFFAOYSA-N 427.544 6.206 30 10 IKEE Cc1ccc(NC(=O)COc2ccccc2C=CC(=O)c2ccc(C(C)C)cc2)cc1C 2322725021 PMSWSJVXEDAYHB-UHFFFAOYSA-N 427.544 6.340 30 10 IKEE CCCN(CCC)C(=O)COc1cc(C=CC(=O)c2ccc(OCC)cc2)ccc1OC 2323131040 WBXCSILYJWOLDF-UHFFFAOYSA-N 439.552 5.017 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OC(=O)c3ccc(Cl)c(Cl)c3)c2C)C1=O 2323260115 WWLXZAFXHXYEBD-UHFFFAOYSA-N 439.294 6.446 30 10 IKEE COc1ccc(OC)c(C=C2Oc3c(ccc(OC(=O)C=Cc4cccs4)c3C)C2=O)c1 2323524728 XSRRREZDNCBFEC-UHFFFAOYSA-N 448.496 5.309 30 10 IKEE Cc1c(OC(=O)C(C)(C)Oc2ccc(Cl)cc2)ccc2c1OC(=Cc1cccnc1)C2=O 2323710329 NOWZAQOTJKQQLI-UHFFFAOYSA-N 449.890 5.423 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1cc(C)cc(C)c1 2323802577 HZLLVFNJMDUANU-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2Cl)C3=O)cc1 2323829014 NGVDMRGFGCEDQA-UHFFFAOYSA-N 448.902 6.273 30 10 IKEE Cc1cc(O)c(CN2CCCC[C@@H]2C)c2c1C(=O)C(=Cc1ccc(-c3ccccc3)cc1)O2 2324010352 MQWZAJBWODUDHJ-FQEVSTJZSA-N 439.555 6.358 30 10 IKEE CN(C)c1ccc(C=C2Oc3c(ccc(O)c3CN3CCCc4ccccc43)C2=O)cc1 2324023767 XZGPWTLXPJODCX-UHFFFAOYSA-N 426.516 5.027 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 2324090827 UIKCAWUBMITFHH-UHFFFAOYSA-N 437.835 5.452 30 10 IKEE COc1cc(OC)c(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(F)cc3)n2)cc1Cl 2324745165 XPALTEUOBADVEB-MRXNPFEDSA-N 442.899 5.509 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3cc(OCc4cccc5ccccc45)ccc3C2=O)cc1 2325272264 JFFIRONHHUSZLC-UHFFFAOYSA-N 434.535 7.333 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2325512762 OWCGBOIBCVYOPA-UHFFFAOYSA-N 447.923 5.496 30 10 IKEE COc1ccc(C=C2Oc3cc(OCc4cccc(C)c4)ccc3C2=O)c(OC)c1OC 2325720359 AVRKDEATIOUTJD-UHFFFAOYSA-N 432.472 5.216 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1cccc(C=CC(=O)c2ccc(Cl)cc2)c1 2325730349 KEMKOLKGMFRCIY-UHFFFAOYSA-N 436.891 5.619 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OC(=O)COc2ccc(C)c(C)c2)c1 2325743395 CXQFUWZSYXVECD-UHFFFAOYSA-N 430.500 5.501 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1cccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)c1 2325746390 ZJYYWLDUMNLAOS-UHFFFAOYSA-N 448.946 6.761 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3cccc4ccccc34)c2)cc1 2325750578 LKRDIQBACKPKJW-UHFFFAOYSA-N 434.535 7.007 30 10 IKEE CCCSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1cccnc1 2325884116 ZMSNHHPTTHQCKO-UHFFFAOYSA-N 431.565 5.222 30 10 IKEE C=CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccc(Cl)cc1 2326140035 VKHKJRTWZXPUJW-UHFFFAOYSA-N 447.391 5.941 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccccc1C(F)(F)F 2326735869 MKPKWQQWGWCIQN-UHFFFAOYSA-N 436.478 5.953 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2ccccc2)cc1OC 2326752337 JOPVQNMVKQTLKT-UHFFFAOYSA-N 444.560 5.061 30 10 IKEE CCSc1nnc(CCCOc2ccccc2)n1N=Cc1ccc(Cl)c(Cl)c1 2328730335 PXGQFIQTCRNQLT-UHFFFAOYSA-N 435.380 5.591 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2)n1N=Cc1cccc(OCC)c1 2328745002 UEMIWJNSSPICOD-UHFFFAOYSA-N 436.581 5.239 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2)n1N=Cc1ccccc1OCCC 2328754110 HHBXVJKPHKIAGW-UHFFFAOYSA-N 436.581 5.239 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccc(C)c(C)c3)n2N=Cc2ccncc2)c1 2328781866 FXCDBRZWNZJXAL-UHFFFAOYSA-N 443.576 5.352 30 10 IKEE C=CCSc1nnc(COc2ccc(C)cc2C)n1N=Cc1ccc(Cl)c(Cl)c1 2328907103 QAJCODMNTIYLDG-UHFFFAOYSA-N 447.391 5.941 30 10 IKEE Clc1ccccc1CSc1nnc(-c2cccs2)n1N=Cc1c[nH]c2ccccc12 2330584422 OQARCIMWUMAVLL-UHFFFAOYSA-N 449.992 6.316 30 10 IKEE Cc1cccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2-c2cccs2)c1 2330620174 ASEIRVOBKLYOPX-UHFFFAOYSA-N 442.972 6.282 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)cc(Cl)c1OC(=O)C1CCCC1 2330752610 CGBHQKQZQWZWFL-UHFFFAOYSA-N 426.940 6.293 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc3ccccc23)c(Cl)c1)c1ccccc1Cl 2330919235 HKHKHQQAMPMJLR-UHFFFAOYSA-N 447.317 7.262 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)c2cccs2)c(Br)c1 2331065823 JJWKOEUFMURGGZ-UHFFFAOYSA-N 443.318 5.635 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCCc2ccccc2)nnc1C(F)(F)F 2331142835 AGZJGWAVHFKGEH-UHFFFAOYSA-N 434.487 5.303 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2Br)c(Cl)c1)c1ccccc1 2331165648 KZGJDNLNJTZYFM-UHFFFAOYSA-N 441.708 6.218 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc([N+](=O)[O-])c1OC(=O)[C@H](C)c1ccccc1 2331175082 QENAXVLIBZUOHU-GOSISDBHSA-N 445.471 5.599 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)c1ccccc1C 2331331518 JIZNFUSHFDVXHS-UHFFFAOYSA-N 438.882 6.220 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)c1cccs1 2331403920 SXGKGQJMSQSWRU-UHFFFAOYSA-N 436.485 5.033 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2Cl)cc1 2331414070 CKFPTYKLQWJEDP-UHFFFAOYSA-N 448.946 6.761 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)CC1CCCCC1 2331421648 GWJKXHXAIREPRL-UHFFFAOYSA-N 448.603 7.155 30 10 IKEE COC(=O)c1ccc(CSc2nnc(CC(C)C)n2N=Cc2ccc(C(C)C)cc2)o1 2331451123 PICPCAGTLKDQRR-UHFFFAOYSA-N 440.569 5.154 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2C2CCC2)cc1 2331498262 YWQJBNOFHXRXGO-UHFFFAOYSA-N 433.625 5.875 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccncc2)c(Br)c1)c1ccc(F)cc1 2331525551 BKHACFXIFOKPIY-UHFFFAOYSA-N 426.241 5.099 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(C)c3C)cc2)CC1 2331612105 GAICQTKNMMBDTA-UHFFFAOYSA-N 448.603 7.110 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)c1cncc(C)c1 2331762867 YPZZUBGSFYVTKA-UHFFFAOYSA-N 449.934 6.093 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3)c(Cl)c2)cc1Cl 2331818940 LECFRAOJVCDYRG-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE CC[C@H]1CCC[C@](C=O)(Cc2ccc(I)c(Br)c2)C1 2349912913 AJLNDGANFLDCNY-BLLLJJGKSA-N 435.143 5.382 30 10 IKEE CC(C)(C)NC(=S)N/N=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 8626556 HVYODSDVDRSCKW-FOKLQQMPSA-N 440.447 5.002 30 10 IKEE CCc1ccc(-c2n[nH]c3c2[C@H](c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 9597341 RRBLGNUYBZGXNA-HSZRJFAPSA-N 440.591 5.906 30 10 IKEE CC(C)Oc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccc(F)cc1)C2 21220353 KXWKWLAMEIIUQE-GDJIYFAZSA-N 442.534 6.592 30 10 IKEE COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(N(C)C)cc2)C3)cc1 21221451 VOTMQYGQQKGDHW-PIIWDFAUSA-N 439.559 5.741 30 10 IKEE COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2[N+](=O)[O-])c1 21225314 XPQWYQKWEFHHNF-QUGAMOGWSA-N 441.487 5.583 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(-c3ccccc3)cc2)cc1 21258129 BQXUEYPRNZDARQ-ILBGXUMGSA-N 437.539 5.757 30 10 IKEE C=CCC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1 36346093 TXDUALMVRYRHGF-HSZRJFAPSA-N 449.570 5.651 30 10 IKEE O=C(C[C@H]1S/C(=N/c2cccc3ccccc23)NC1=O)c1ccc(Br)cc1 39843297 BHADWHHDMCXMJL-LJQANCHMSA-N 439.334 5.094 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(-c4ccccc4)cc2)C3=O)cc1 41284278 RHAUETNKENBVON-IMRQLAEWSA-N 446.502 6.806 30 10 IKEE C/C=C/C=C\C(=O)Nc1ccc(Cc2ccc(NC(=O)/C=C\C=C\C)c(C#N)c2)cc1C#N 59383298 NEBKHYYLYUQIJR-UXXNSPMGSA-N 436.515 5.162 30 10 IKEE CCCCCCCCCCCCCCCCCC1=[N+](Cc2ccccc2)CCN1CCO 100307594 FDSJULQIPRIRKO-UHFFFAOYSA-N 443.740 7.167 30 10 IKEE C#CCOc1ccc(Br)cc1CNc1ccc(Cl)cc1Br 125064304 HUFJUZFKKTUACP-UHFFFAOYSA-N 429.539 5.489 30 10 IKEE COc1ccc(N/N=C/c2cc(OC)c(OCc3cc(C)ccc3C)c([N+](=O)[O-])c2)cc1 169885466 QRXJAQRLPVIIQG-AFUMVMLFSA-N 435.480 5.254 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(O)cc2)c1 169958900 OTLNKWJWOBCIMB-DEOSSOPVSA-N 439.467 5.538 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccc(O)cc2)cc1 169961367 CBJBBUAUJGJTGM-JOCHJYFZSA-N 449.890 5.227 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccc(O)cc2)cc1 169961752 SAVRTXSCZDEXIH-JOCHJYFZSA-N 449.890 5.227 30 10 IKEE CCCCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2ccccn2)cc1 169993524 XTPBINAZUBEGHX-VWLOTQADSA-N 440.543 5.824 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@@H]1c1cccc(OC)c1 170120568 SJRJRGTYWTXTOO-QHCPKHFHSA-N 437.536 5.206 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2OC)cc1 170123801 QUPYWEVYJXYATL-HSZRJFAPSA-N 435.520 5.005 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cccs1 170166208 UAZHXLOSZFFCRJ-QFIPXVFZSA-N 439.577 5.020 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1ccccn1)c1ccc2c(c1)CCCC2 170176555 XFNDQECGRGJWOC-HSZRJFAPSA-N 446.453 5.022 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccncc2)ccc1OC(C)C 170199394 HWFCXOJAMFUDLF-QHCPKHFHSA-N 446.478 5.099 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccccc1)c1ccc(Cl)c(Cl)c1 170230743 DGYOJUISGNTJQS-FQEVSTJZSA-N 439.298 5.167 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2F)c1 170249313 REOSDGRHJRJDCJ-HSZRJFAPSA-N 431.463 5.316 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2C2CCCCC2)cc1 170266725 DJAUKRHPZNFVJV-VWLOTQADSA-N 445.559 5.485 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1ccccc1C 170271746 YKXDGGYJWXYKFE-HSZRJFAPSA-N 443.499 5.109 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(Cl)ccc3OC)[C@@H]2c2ccco2)cc1 170283163 DSRGGQHYRCEDFU-NRFANRHFSA-N 437.879 5.287 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1ccco1 170289973 UKOQRKCYORLPKZ-HSZRJFAPSA-N 445.515 5.677 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@@H]1c1ccc(C)o1 170302267 SQEMCEAASFZTMW-JOCHJYFZSA-N 435.451 5.135 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1sccc1C 170315244 ZTLCBEPLJWOSAU-NRFANRHFSA-N 433.529 5.465 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2cn(C)c3ccccc23)cc1 170394866 QNQAPZSTWRSYSG-HSZRJFAPSA-N 426.472 5.117 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2cc(C)cc(C)c2)ccc1OC 170439570 JCSRAMJBQYPCMQ-XMMPIXPASA-N 437.536 5.226 30 10 IKEE CCCOC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]2c2cccc(C)c2)c1 170460345 GWFQHFYWCFEPLP-OAQYLSRUSA-N 435.520 5.077 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)CC(C)C)[C@H]1c1ccc(C(C)(C)C)cc1 170468615 IZISJCKTHPOFGM-HSZRJFAPSA-N 439.983 6.461 30 10 IKEE CCCN1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=Nc1ccc(OC)cc1 252603478 FSAKZRQTWREXPL-OUCYFQBSSA-N 447.354 5.177 30 10 IKEE C=CCOc1ccc(/C=C2/SC(=Nc3cccc(C)c3)N(c3cccc(C)c3)C2=O)cc1 252604828 GDWOIBUCYZPXAM-OFGWUVNBSA-N 440.568 6.677 30 10 IKEE CC(C)CCN1C(=O)C(=Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc21 254384519 BKHASKDTPWHZNH-UHFFFAOYSA-N 428.376 6.238 30 10 IKEE O=C(Oc1ccc2oc3c(c2c1C=Nc1ccccc1)CCCC3)c1ccc([N+](=O)[O-])cc1 254385645 QRXQCQHIIHMQNA-UHFFFAOYSA-N 440.455 6.190 30 10 IKEE COc1ccc(O)c(C(CCCCCCCCC(=NO)c2cc(OC)ccc2O)=NO)c1 254478275 BZKIPGUMZWNUNO-UHFFFAOYSA-N 444.528 5.293 30 10 IKEE O=C(ON=C(Cc1ccccc1)C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 254757934 CQPGCUFKSMXHIQ-UHFFFAOYSA-N 443.265 6.042 30 10 IKEE C=CCc1ccccc1OCCOc1cccc(C=NNc2nc3ccccc3s2)c1 254834317 YWHSNVZSSNRRRL-UHFFFAOYSA-N 429.545 5.929 30 10 IKEE C=C(CO)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]12 263584270 OJITVCSELYUHSE-FXBLUFLFSA-N 442.728 6.999 30 10 IKEE S=C(N/N=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)Nc1ccccc1 299828958 SOTHXVMXJQFBQJ-MYYYXRDXSA-N 431.952 5.513 30 10 IKEE CCCCCCCC[C@@H](NC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 406765306 RPWYPEQIGDMPCJ-GOSISDBHSA-N 427.427 6.807 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccc(OC)c2)c1 526604796 QASZLTFYELSLSE-VWLOTQADSA-N 440.499 5.413 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccc(C)c2)cc1OC 526604906 LWJNMYLTCFYRKY-VWLOTQADSA-N 440.499 5.331 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1cccc(Br)c1 526808476 KRCASSSFUYXSBX-UCQKPKSFSA-N 443.414 5.866 30 10 IKEE COc1ccc(/C=N\n2c(C)nnc2SCc2c(Cl)cccc2Cl)cc1OC 526814405 NQNICGTXGDGMCT-YVNNLAQVSA-N 437.352 5.085 30 10 IKEE CCCOc1ccc(/C=N\n2c(CC)nnc2SCc2cccc3ccccc23)cc1 526821200 GNMMCLVNIOGJDU-ONUIUJJFSA-N 430.577 5.957 30 10 IKEE Cc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2cccc3ccccc23)o1 526821769 JSTMBMRQAUCNLL-PKAZHMFMSA-N 438.556 6.098 30 10 IKEE CCCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1/N=C\c1cccc(Cl)c1 526828030 TZKNZJHGCNLCPT-OYKKKHCWSA-N 442.972 5.235 30 10 IKEE Cc1cccc(N(C(=O)c2cccc(C#N)c2)S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 586296648 WUUFMQPWNZWXNZ-UHFFFAOYSA-N 432.545 5.200 30 10 IKEE C[C@@H]1C[C@@H](C)CN(C(=O)Nc2cccc(C(=O)Nc3scc(C(C)(C)C)c3C#N)c2)C1 586681267 HNICKXMWCKKVDQ-HZPDHXFCSA-N 438.597 5.679 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1ccc(Cl)cc1F 698406903 LVQVYSMXBSBZSV-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@@]1(C#N)CCc2cc(Br)ccc21 698849443 DLZHVDPIECZGBN-OAQYLSRUSA-N 447.760 6.209 30 10 IKEE O=[N+]([O-])c1ccc(NN=Cc2cc(Br)ccc2OCc2ccccc2)cc1 1084236089 BMKMTJKVEHFOPK-UHFFFAOYSA-N 426.270 5.382 30 10 IKEE Cc1ccc(S(=O)(=O)ONC(=Nc2ccc(Cl)cc2Cl)c2ccccc2)cc1 1088700731 XJZYIWPYWRTMGQ-UHFFFAOYSA-N 435.332 5.290 30 10 IKEE CSc1nc(O)c(C(=O)N[C@@H](c2ccc(C)cc2)c2ccc(F)cc2Cl)cc1C#N 1336905223 LZKXUBZTWNSMGO-IBGZPJMESA-N 441.915 5.001 30 10 IKEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](C(C)C)C1 1690427996 AEQPCIBHFHFFJY-GOSISDBHSA-N 434.588 5.069 30 10 IKEE Cc1csc(N=C2S/C(=C/c3ccc(C(C)C)cc3)C(=O)N2C2CCCCC2)n1 1772734777 DHHCSZNPZNBSEC-UFDKDONYSA-N 425.623 6.512 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=Nc1nccs1 1772737167 WSQSEIHQJQIZQB-MJEQIIAOSA-N 427.938 5.847 30 10 IKEE C/C(=C1\SC(=Nc2ccncc2Cl)N(C2CCCCC2)C1=O)c1ccc(O)cc1 1772738745 VZXKXSHVTLIMHQ-ONWPUYBOSA-N 427.957 5.767 30 10 IKEE N#Cc1ncc(-c2c(F)c(F)c(F)c(F)c2F)cc1-c1c(F)c(F)c(F)c(F)c1F 1848358570 MKOROWBCCPMYTD-UHFFFAOYSA-N 436.208 5.678 30 10 IKEE C=CCN(CC=C)C(=O)Oc1cccc2c(NC(=O)Cc3ccc(OC)cc3)cccc12 1858948993 OYHHKEQKXWBXRQ-UHFFFAOYSA-N 430.504 5.202 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@@H]2c2ccc(F)cc2)cc1 1862430117 CIQYQRIEQFOHDW-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc(Cl)c1 1862432988 ROMQSWQIBBWOJU-MMACOIQUSA-N 444.358 6.150 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C(C)C)cc1 1862453643 FGLKPLIZLDJBQD-QFIPXVFZSA-N 441.955 5.896 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2cccc(C)c2)c1 1862489634 FBFOORHNARXPEJ-RUZDIDTESA-N 425.528 5.699 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862501700 IMQYDFBNRSJDPS-RUZDIDTESA-N 449.566 6.388 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2ccccc2)cc1 1862531790 BLJJWRSTKNXICA-RUZDIDTESA-N 425.528 5.644 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2cccc(F)c2)cc1 1862556262 RZVAXRYPKQFBLR-FYSMJZIKSA-N 444.506 5.310 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2cccc(Cl)c2)c1 1862560481 IOBYGDPIRNHBSH-QHCPKHFHSA-N 446.934 5.318 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CC(C)C)cc1 1862567296 OXMCSHOZGNSRQM-HSZRJFAPSA-N 436.552 5.072 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@H]1c1ccccc1)c1cccc2ccccc12 1862649045 PIQQNEFGWRPMOX-SANMLTNESA-N 437.539 6.309 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(C(F)(F)F)cc1 1862655505 JYMDLFBZOFJXNP-OAQYLSRUSA-N 437.417 5.623 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2ccccn2)cc1 1862659630 BLJALINQKKOYBO-DEOSSOPVSA-N 426.516 5.292 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2ccc(F)cc2)c1 1862703254 SFHLHPKQCUQPPI-DEOSSOPVSA-N 445.490 5.230 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccc(F)c1 1862724308 LHYREXRBOJPNJS-OSPHWJPCSA-N 429.491 5.870 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccc(Cl)c2)[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 1862748023 XZZHWGWLCPTACO-OAQYLSRUSA-N 448.862 5.027 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(Cl)cc2)C1=O 1862789875 VPVRRXDXDJJPPF-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE N#Cc1cccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3ccc4ccccc4c3)C2=O)c1 1862793677 UZVLLZMDDOEDHN-UHFFFAOYSA-N 449.897 5.761 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc4ccccc4c3)C2=O)cc1 1862889178 AJKQXESZERYABR-UHFFFAOYSA-N 429.479 5.417 30 10 IKEE CCCCCCCCNC1=C(c2cccc3ccccc23)C(=O)N(Cc2ccncc2)C1=O 1863576419 KDLPBEFOLSBAKN-UHFFFAOYSA-N 441.575 5.465 30 10 IKEE CCC[C@H](NC(=O)C[C@@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1ccc(C#N)cc1 1866777880 ZDVRWTJKTUYEPK-DQEYMECFSA-N 443.522 5.143 30 10 IKEE CCCN(CCCN(C)C)c1cc(Nc2cccc(C#N)c2)nc(-c2ccccc2Cl)n1 1868404100 PIBPBSVWEXOZHT-UHFFFAOYSA-N 449.002 5.580 30 10 IKEE COc1ccc2c(c1)C[C@@H](C)CN2c1cc(Nc2ccccc2C#N)nc(-c2cccnc2)n1 1868572931 VVDUMMNYZJWVIQ-GOSISDBHSA-N 448.530 5.493 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3ccc(OC)cc3[C@H]2c2ccccc2)nc(CC)n1 1869128208 PBEXRSDELWQMTA-MUUNZHRXSA-N 440.591 5.378 30 10 IKEE C=CCN(CC=C)c1cc(N2C[C@@H](CC)Cc3cc(OC)ccc32)nc(-c2ccccc2)n1 1869207518 GSPXZQMMPPTOIB-NRFANRHFSA-N 440.591 6.051 30 10 IKEE CCCCCCCCCCn1cc(OCC2CCCCC2)c(=O)cc1CN(C)CCO 1870485187 QJUWBDDFHDKVJH-UHFFFAOYSA-N 434.665 5.372 30 10 IKEE CCCCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CN1CCC[C@@H](C)C1 1870612383 ZNISEMPWUTUWIW-XMMPIXPASA-N 430.677 6.566 30 10 IKEE C=CCOc1cn(CCC2=CCCCC2)c(CNc2ccc(N3CCCC3)cc2)cc1=O 1870813235 CKWAICPPEMMQRG-UHFFFAOYSA-N 433.596 5.516 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc4c3CN(CCc3cccs3)CO4)C2=O)cc1 1871347294 MXZWBJYCCOPLLO-UCQKPKSFSA-N 433.529 5.158 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3c(ccc4c3CN([C@H]3CCCC[C@H]3C)CO4)C2=O)c1 1871350595 MDHKGTCUGRVCJV-HCKRQRIGSA-N 435.520 5.051 30 10 IKEE CC[C@H](C)N1COc2cc(C)c3c(c2C1)O/C(=C\c1cc(Cl)cc2c1OCOC2)C3=O 1871352000 LJLGYSICMHSHBX-MWUGMZIQSA-N 441.911 5.082 30 10 IKEE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1OC 1871366556 GGLJDGHJQZILAJ-DNUMDTLGSA-N 446.430 5.078 30 10 IKEE O=C(/C=C/c1cccs1)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O 1871380157 ZPWKPYWDKQDRCA-RQIKSRJSSA-N 443.307 6.290 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OC(=O)C(C)(C)Oc3ccc(Cl)cc3)ccc2C1=O 1871384856 MRJNNALSPVOVCN-UCQKPKSFSA-N 448.902 6.028 30 10 IKEE COc1ccc(OCCCOc2cc(C)c3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1 1871415600 KRKSELAMFIBTGV-XYGWBWBKSA-N 430.500 5.776 30 10 IKEE CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2cccs2)C3=O)c1 1871426575 SNRXSKROMZNGSL-NXUSMQHESA-N 447.512 5.281 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCc3cccc4ccccc34)cc(C)c2C1=O 1871433354 ABTHCLVIPCPRJI-YUMHPJSZSA-N 436.507 6.742 30 10 IKEE Cc1c(OCc2ccccc2C#N)ccc2c1O/C(=C\c1cccc(Br)c1)C2=O 1871437242 OAKIWKRLKKIMDF-UUYOSTAYSA-N 446.300 5.824 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OCc4ccc(C(=O)OC(C)C)o4)c3C)C2=O)c1 1871439361 VGECHZPXUORJAA-QRVIBDJDSA-N 448.471 5.357 30 10 IKEE CCc1cccc(CC)c1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(C)cc1)C2=O 1871455069 AGLORSQYKJLHGN-MYYYXRDXSA-N 441.527 5.754 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc(Cl)c4Cl)ccc3C2=O)o1 1871458680 YXUXHXWGRWNMLE-GRSHGNNSSA-N 444.270 5.529 30 10 IKEE CCCCCCCCN=c1nc(N2CCC[C@@H](C)C2)[nH]c(=Nc2cccc(Cl)c2)[nH]1 1871647941 QMJQEXLRPATOHB-GOSISDBHSA-N 431.028 5.121 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 1871764899 PTBFLNMOEUZTSO-VWLOTQADSA-N 448.588 5.250 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1cccs1 1872220614 PGLZEJHVWJVGII-FQEVSTJZSA-N 448.654 5.420 30 10 IKEE COc1ccc(C)cc1-c1csc([C@H](C#N)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 1872771298 RBOAUCSWQUDIDY-CQSZACIVSA-N 427.869 5.179 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3cc(Cl)ccc3Cl)n2)c(C)c1C 1872778499 MLYUJSSSFSSOHU-KRWDZBQOSA-N 445.371 6.161 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC(C)C)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873086286 DGSAJCOJUZLJKY-UHFFFAOYSA-N 446.635 6.572 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cc(F)ccc2F)=C(c2cccnc2)C1=O 1873265750 ZEXBTRPUWOJJBM-UHFFFAOYSA-N 441.522 5.693 30 10 IKEE CCCCCCCCN=c1nc2c(cnn2-c2ccccc2)c(Nc2ccccc2C#N)[nH]1 1873478436 XQNJUYJBVQMZLU-UHFFFAOYSA-N 439.567 5.625 30 10 IKEE C=CCn1c(C(=O)Nc2ccccc2)cc2c(NCCc3c[nH]c4ccccc34)ncnc21 1873610787 RCTUTWKEAGCMBB-UHFFFAOYSA-N 436.519 5.006 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccccc1C(C)C)n2CCCC 1873656852 OYFRWJJQGQXWPU-UHFFFAOYSA-N 431.584 5.786 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(C)cc1 1874203999 FCQHWENOQGZDBT-BHGWPJFGSA-N 447.391 6.023 30 10 IKEE CCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1cccc(Br)c1 1874283280 YRMPITXHSBMPNQ-LPYMAVHISA-N 449.805 5.473 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2ccccc2C)nnc1[C@H](C)c1ccccc1 1874392682 RNPHXPMALREQCD-AYQSFACRSA-N 442.588 5.921 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@H](C)c3ccccc3)n2/N=C/c2ccccc2)c1 1874394986 AMAPLCVATYGAGY-ADIMLFFHSA-N 426.589 6.221 30 10 IKEE Cc1ccccc1CSc1nnc(CC2CCCCC2)n1/N=C/c1ccccc1Cl 1874406477 PMBBICBZNGFKFP-WGOQTCKBSA-N 439.028 6.537 30 10 IKEE CCCOc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccccc2F)c1 1874438375 CCHWRWYDFQOGBK-WGOQTCKBSA-N 440.588 5.969 30 10 IKEE Cc1ccsc1/C=N/n1c(CC(C)(C)C)nnc1SCc1ccc([N+](=O)[O-])cc1 1874439012 FSIGJUKGSPPIFW-CIAFOILYSA-N 429.571 5.319 30 10 IKEE Fc1ccccc1/C=N/n1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccco1 1874468291 BHVUTTBAQZZHAX-BHGWPJFGSA-N 447.322 6.159 30 10 IKEE CC(C)c1nnc(SCc2cccc(F)c2)n1/N=C/c1cc(Br)ccc1O 1874511808 BQDIWENLPZSFGH-LSHDLFTRSA-N 449.349 5.183 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(SCc2ccccc2Cl)nnc1C(C)C 1874513717 MLFUUASEZLJMHI-ZMOGYAJESA-N 428.989 6.017 30 10 IKEE CCc1ccc(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc3ccccc3c2)cc1 1874571224 CAMITDJRKDNGMC-OBGWFSINSA-N 435.523 6.316 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)NCc2ccccc2)cc1 1874572987 PAFPHKRNGLPZJE-WYMLVPIESA-N 433.935 5.494 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2c(C)cccc2C)cc1 1874573456 PABCLJNUYYZUOG-VHEBQXMUSA-N 441.571 6.560 30 10 IKEE CCOc1c(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc(Br)cc1OC 1874585470 VONZSXVGXVMLRT-CMDGGOBGSA-N 447.369 6.193 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1OCc1ccccc1C 1874592409 XSXGNECEKQDDMS-JLHYYAGUSA-N 427.327 6.786 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OCc2nc(O)c3ccccc3n2)c1 1874600962 LPKWONWDPSBLFS-PKNBQFBNSA-N 446.890 5.473 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1Cl)NC1CCCCC1 1874602681 YSSAKHJQIWGNHN-GXDHUFHOSA-N 447.962 6.217 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc3ccccc23)c(Cl)c1)c1ccc2c(c1)OCO2 1874621130 LGWFCASNCMUBGQ-DHZHZOJOSA-N 442.898 6.697 30 10 IKEE C=CCOc1c(Br)cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)cc1OC 1874636366 XQAFSJXAPNVLPR-FNORWQNLSA-N 437.717 5.581 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OCc2cc(C)ccc2C)c(Cl)c1 1874639206 NYRMXJXDLXAUEX-RMKNXTFCSA-N 441.354 7.094 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cccc(Br)c3)c2)c(C)c1 1874701870 BXUJWABGTMCAIZ-ZRDIBKRKSA-N 435.317 6.181 30 10 IKEE O=C(CCCOc1ccccc1Cl)Oc1cccc(/C=C/C(=O)c2ccc(F)cc2)c1 1874708881 ZPFOCHCHCGPSGK-XNTDXEJSSA-N 438.882 6.140 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(F)cc3)c2)c(OCC)c1 1874714767 MVNXBDBUGVBAST-XNTDXEJSSA-N 448.490 5.667 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccccc2)CSc2nnc(-c3ccccc3)n21 1874931053 VWBRXJYITSPTLK-QFIPXVFZSA-N 434.609 6.007 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Br)c1OC(=O)C1CC1 1875111529 DVXUFVPHMKFYFE-RMKNXTFCSA-N 435.701 5.323 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(OC)c3)c(OC)c2)cc1 1875138926 JRGSMFYJEDAVCE-RIYZIHGNSA-N 446.499 5.608 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC(=O)C(C)(C)C 1875150223 CFPKVXJDJARTGX-LFIBNONCSA-N 434.576 6.569 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)CCc1ccccc1 1875157670 JFNUUQAXKXJYSA-NTUHNPAUSA-N 438.882 5.922 30 10 IKEE CSCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1Cl 1875184348 UWCAYEIRCLUNAI-FMIVXFBMSA-N 445.024 6.891 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1nc2ccccc2cc1Br 1922114081 ZULYMILVCOFOHS-QFIPXVFZSA-N 425.370 5.811 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1cscc1Cl 1942308470 AAFJBGOVZPGUJQ-HNNXBMFYSA-N 427.751 6.170 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1943898052 ZWAPEBAQZQUXJN-FDDCHVKYSA-N 449.979 5.811 30 10 IKEE CCCCCCCCC[C@@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NC 1947489319 KNIIVZLZJGWFBD-ZEQRLZLVSA-N 434.665 6.215 30 10 IKEE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCC#N)C(C)C 1985178607 BSZSPJOWPGWRDL-CLOONOSVSA-N 447.579 5.090 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2032218608 YREZQXYRRWLCEL-MZNJEOGPSA-N 447.551 5.544 30 10 IKEE C=CCC1(Nc2cc(NC(=O)OC(C)(C)C)ccc2N)CCN(C(=O)OC(C)(C)C)CC1 2044181109 OOHVCYWCQMRRQH-UHFFFAOYSA-N 446.592 5.374 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@H]2C[C@H]1C[C@@H]2NC(=O)OC(C)(C)C 2046020903 XYKMGLHAKOKUNN-ANWNFGLHSA-N 441.572 5.322 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C(C)(C)C1 2065978931 KUNAUCIBVZUMNT-DEOSSOPVSA-N 447.551 5.497 30 10 IKEE Cc1cc(C)c([C@@H](C(C)C)n2nc(C3CC3)c(C#N)c2I)cc1C 2078978754 ARCUWQYTGKVHKW-LJQANCHMSA-N 433.337 5.407 30 10 IKEE Cc1ccc([C@@H](n2nc(C(F)(F)F)c(/C=N/O)c2Br)C2(C)CC2)cc1C 2079016257 JXARDJBEYRKZFR-MJGXDETHSA-N 430.268 5.479 30 10 IKEE Cc1cc(C)c([C@H](n2nc(C(C)C)c(C#N)c2I)C2(C)CC2)cc1C 2079138885 MNBVSGCSQXZOBP-IBGZPJMESA-N 447.364 5.798 30 10 IKEE COc1ccc([C@@H](C2CCC2)n2nc(C(C)(C)C)c(C=NO)c2Br)cc1C 2080006297 KIJKCKKEEBVUJX-GOSISDBHSA-N 434.378 5.458 30 10 IKEE CC(C)Oc1ccc([C@@H](C2CC2)n2nc(C(F)F)c(C=NO)c2Br)cc1 2080069893 YMQVEHLGCDIYIZ-MRXNPFEDSA-N 428.277 5.178 30 10 IKEE CCOc1ccc([C@@H](n2nc(C(F)(F)F)c(C#N)c2Br)C(C)(C)C)cc1 2080107585 PRQYNUKZDFCIIG-OAHLLOKOSA-N 430.268 5.570 30 10 IKEE Cc1ccc(F)c(-c2c(C(F)(F)F)nn3c(Cl)c(C#N)cnc23)c1Br 2081421435 LKEDINPHYIQJHM-UHFFFAOYSA-N 433.590 5.150 30 10 IKEE C=CC[C@](C)(CNC(=O)OC(C)(C)C)COc1cc(Cl)c(Br)cc1N 2082207827 SYAIFMKIOQMGDU-GOSISDBHSA-N 433.774 5.171 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](CNc1ccc(C#N)c(Br)c1F)C2 2162290118 STSRCWFPMXKTFS-YOWGUQMCSA-N 438.341 5.050 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1cccc2c1OCO2 2233872803 NIBKWIZBYZKUHD-INIZCTEOSA-N 431.286 5.184 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Cl)cc(Cl)c1Cl 2235594295 MDVZCWVOJWSSIT-WMZOPIPTSA-N 433.807 5.994 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](CC(=O)C#Cc1ccccc1Br)C1CCCCC1 2235726508 FKGMWSCLVAAGKO-FQEVSTJZSA-N 434.374 5.233 30 10 IKEE COc1cc(Br)ccc1C(=O)C=Cc1ccc(NC(=O)OC(C)(C)C)cc1 2239645835 LFOFUVGLSUEMOK-UHFFFAOYSA-N 432.314 5.701 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1F)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2255269287 KWYROICNFZTIBY-XMMPIXPASA-N 438.587 5.763 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Oc2cccc(B3OC(C)(C)C(C)(C)O3)n2)ccc1Cl 2255348549 GPNGZPQKZOVGRF-UHFFFAOYSA-N 446.740 5.174 30 10 IKEE C=CC1(C[C@H](NCCC)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)CCC1 2256737476 AEXFDNRRPAIVLG-QHCPKHFHSA-N 442.644 5.555 30 10 IKEE CCCN(Cc1ccccc1)C(=O)c1cc(C(F)(F)F)ccc1B1OC(C)(C)C(C)(C)O1 2267508242 BMMBYMCWYSAIOK-UHFFFAOYSA-N 447.306 5.057 30 10 IKEE C=C(C)CCCC[C@@H](N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2271755767 XZCCINRFUWGYLG-UHSQPCAPSA-N 445.603 6.342 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Br)c([C@H](O)C#Cc2ccccc2Cl)c1 2277861027 WFJUBLZVYLVZPU-GOSISDBHSA-N 436.733 5.535 30 10 IKEE CC(C)N(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1c(Br)cccc1C#N 2285219854 BFJFIMOEKSFMNG-MRXNPFEDSA-N 436.394 5.183 30 10 IKEE CC(C)(C)OC(=O)NCC1CCC(CC(=O)C#Cc2ccc(Br)cc2)CC1 2296280569 AWFZGIFMNGMDNF-UHFFFAOYSA-N 434.374 5.091 30 10 IKEE CCOc1ccc(C(=O)C(=Cc2cc(OC)ccc2OC)c2nc3ccccc3s2)cc1 2296699132 VTXPLMDXKUBAQA-UHFFFAOYSA-N 445.540 6.136 30 10 IKEE O=C1C(=Cc2cccs2)Oc2cc(OC(=O)N(c3ccccc3)c3ccccc3)ccc21 2296871140 UZVVTXSERABMND-UHFFFAOYSA-N 439.492 6.701 30 10 IKEE O=C1N(c2ccccc2)C(=NC23CC4CC(CC(C4)C2)C3)[C@@H](N2CCCC2)C12CCCCC2 2297578434 WOMTWXKWWUQOJQ-NYKZCTJWSA-N 445.651 5.815 30 10 IKEE O=C(C=Cc1ccc(-c2ccccc2Cl)o1)c1cccc(NC(=O)c2cccs2)c1 2314523593 ZSFDMTIJSFVHBD-UHFFFAOYSA-N 433.916 6.810 30 10 IKEE CC[C@@]1(C)N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2315227682 DBYHPEQBHUXRKK-RPBOFIJWSA-N 449.636 6.018 30 10 IKEE CN[C@H](C#Cc1nccs1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2316308530 RDLCIHIGDBIVEP-XMMPIXPASA-N 440.568 5.613 30 10 IKEE COc1cc(C=Nn2c(SCc3ccccc3F)nnc2C2CC2)ccc1OC(C)C 2320853566 AZRPPFBQWWZEOO-UHFFFAOYSA-N 440.544 5.265 30 10 IKEE Cc1c(OCc2ccc(F)cc2)ccc2c1OC(=Cc1cccc(Br)c1)C2=O 2321802087 RGOZGASXIBHZMC-UHFFFAOYSA-N 439.280 6.092 30 10 IKEE Cc1cc(OCc2ccc([N+](=O)[O-])cc2)cc2c1C(=O)C(=Cc1ccc(N(C)C)cc1)O2 2321854462 BIVKCBFFDLFORP-UHFFFAOYSA-N 430.460 5.164 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1c(F)cccc1Cl)O3)CN([C@@H]1CCCC[C@@H]1C)CO2 2322153212 KSFAAOLTXYFSRA-VBKZILBWSA-N 441.930 6.134 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc3ccccc3c2C=CC(=O)c2ccccc2)c1 2322545588 IWOQUZWRLQXJLL-UHFFFAOYSA-N 435.523 6.370 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(Cl)cc2C=CC(=O)c2cc(C)ccc2C)o1 2322617495 YHRXAWQQXHDZJT-UHFFFAOYSA-N 438.907 6.202 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1cccc(Cl)c1)c1cccc2ccccc12 2322724625 RERDRPBYQQIBFL-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2ccccc2OCC(=O)OCC(C)C)cc1Cl 2322969271 MJTYRVVSZZZVJG-UHFFFAOYSA-N 437.319 5.476 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OC)c1OCc1cc(C)ccc1C 2323026631 KJCALNYDQALNPV-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE CCCOc1ccccc1C=CC(=O)Oc1ccc2c(c1C)OC(=Cc1ccc(C)o1)C2=O 2323345175 SAUVSMCYYLPTKB-UHFFFAOYSA-N 444.483 5.920 30 10 IKEE CC(C)c1ccc(C=C2Oc3cc(OC(=O)c4c(F)cccc4Cl)ccc3C2=O)cc1 2323353276 JLXAKMJNBMHNTC-UHFFFAOYSA-N 436.866 6.438 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1cccc(Cl)c1 2323378789 WJOYLQOZQACPHT-UHFFFAOYSA-N 437.879 6.122 30 10 IKEE Cc1c(OC(=O)c2cccc(Oc3ccccc3)c2)ccc2c1OC(=Cc1ccco1)C2=O 2323561084 UZRYBFYZWVEMPQ-UHFFFAOYSA-N 438.435 6.216 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)C=Cc4ccc([N+](=O)[O-])cc4)ccc3C2=O)cc1 2323594712 ANKFPHWPZQZPCZ-UHFFFAOYSA-N 427.412 5.138 30 10 IKEE Cc1c(OC(=O)C=Cc2ccc([N+](=O)[O-])cc2)ccc2c1OC(=Cc1cccc(F)c1)C2=O 2323597708 NDTOGBALOFXIPZ-UHFFFAOYSA-N 445.402 5.277 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2F)c(Br)c1)c1ccccc1Cl 2323603428 BTIYQZYEDOHTDV-UHFFFAOYSA-N 445.715 6.717 30 10 IKEE O=C(C=Cc1ccc(-c2ccccc2)cc1)Oc1ccc2c(c1)OC(=Cc1ccco1)C2=O 2323647503 PQNPZPPVVNRVIL-UHFFFAOYSA-N 434.447 6.182 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1cccc(C)c1 2323792144 VGLKZQQVWAHFLP-UHFFFAOYSA-N 449.934 5.961 30 10 IKEE C=C(C)COc1c(Br)cc(C=CC(=O)c2cc(C)ccc2OC)cc1OCC 2324010050 UWIXTNNGJDPTGH-UHFFFAOYSA-N 445.353 6.016 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc([N+](=O)[O-])c1OCc1ccccc1 2324169249 CGSICQYAKLRWCL-UHFFFAOYSA-N 445.515 6.592 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc(Br)c1OC 2324234427 BGASVVHAGYYUNY-UHFFFAOYSA-N 447.369 6.059 30 10 IKEE CCCOC(=O)COc1c(Cl)cc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1OC 2324292113 IDBYWTBNSAHULJ-UHFFFAOYSA-N 446.927 5.202 30 10 IKEE N#C[C@H](C(=O)C=Cc1ccc(Cl)cc1)c1nc(-c2ccc(Br)cc2)cs1 2324416483 AMCLAQMRIMORIF-QGZVFWFLSA-N 443.753 6.116 30 10 IKEE C=C(C)COc1c(Br)cc(C=CC(=O)c2ccc(C)c(C)c2)cc1OCC 2324455541 LXTAPWYMEQDYGB-UHFFFAOYSA-N 429.354 6.316 30 10 IKEE COc1ccc(OCCOc2ccc3c(c2C)OC(=Cc2ccccc2Cl)C3=O)cc1 2324683565 YALMDWHQLBWEIJ-UHFFFAOYSA-N 436.891 5.731 30 10 IKEE CCCOC(=O)[C@H](CC)Oc1ccc2c(c1)OC(=Cc1ccc(N(CC)CC)cc1)C2=O 2325081401 HOBZNTDZRMGTEO-QFIPXVFZSA-N 437.536 5.260 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccccc2)C3=O)cc1 2325614087 GVQGGRVSYOFGNJ-SFHVURJKSA-N 427.500 5.834 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(F)cc2)cc2c1C(=O)C(=Cc1ccc(C(C)C)cc1)O2 2325728467 DFWNWBHPTBCZNT-UHFFFAOYSA-N 445.490 5.891 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(C=CC(=O)c3ccc(C(C)C)cc3)ccc2OC)c1 2325750475 SXDQBBKKRRNCLC-UHFFFAOYSA-N 444.527 6.333 30 10 IKEE COc1cc(C(=O)C=Cc2cccc(OC(=O)c3cccc(F)c3)c2)c(OC)cc1Cl 2325759113 UVYJVOTYBYXXLJ-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(Cl)cc3)c2)cc1C 2325770897 MBHIAAYVNAFDAX-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)CCc3ccccc3C)c2)cc1C 2325771509 SCHVFFYNYTUBAF-UHFFFAOYSA-N 428.528 6.055 30 10 IKEE CC(C)Oc1c(Cl)cc(C=Nn2cnnc2SCc2ccccc2F)cc1Cl 2326258470 YPZNQWOGNTVEQQ-UHFFFAOYSA-N 439.343 5.686 30 10 IKEE CCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1ccc(OC)c(OC(C)C)c1 2326442499 LDSKYRAPYNOUDX-UHFFFAOYSA-N 438.597 5.428 30 10 IKEE CCOc1ccc(OCc2nnc(SCc3ccc(C)cc3)n2N=Cc2ccc[nH]2)cc1 2326632724 IATOEZWDUBBTJX-UHFFFAOYSA-N 447.564 5.067 30 10 IKEE Clc1ccccc1OCc1nnc(SCc2ccccc2)n1N=Cc1ccccc1 2327652618 DGHUABUXDNJQAI-UHFFFAOYSA-N 434.952 5.685 30 10 IKEE CCCSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1c(F)cccc1Cl 2328799251 SXHIOHWJJYCVNB-UHFFFAOYSA-N 432.952 5.651 30 10 IKEE Cc1ccccc1CSc1nnc(CCOc2ccccc2)n1N=Cc1ccc(F)cc1 2329157049 HIMKHVFFXHOGDT-UHFFFAOYSA-N 446.551 5.522 30 10 IKEE C=C(C)CSc1nnc(CCOc2ccccc2)n1N=Cc1ccc(C(C)(C)C)cc1 2329190036 IXWLAGMTSWPPMB-UHFFFAOYSA-N 434.609 5.748 30 10 IKEE Cc1ccc(C=Nn2c(CCOc3ccccc3)nnc2SCCc2ccccc2)cc1 2329200449 WIHBKVMXUXGGDB-UHFFFAOYSA-N 442.588 5.425 30 10 IKEE Cc1ccc(CSc2nnc(COCc3ccccc3)n2N=Cc2cccc(O)c2)cc1 2329302581 AHIWAYFWMNQHKY-UHFFFAOYSA-N 444.560 5.183 30 10 IKEE Fc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2-c2cccs2)c(F)c1 2330584065 YCNDTBFIJXZUAV-UHFFFAOYSA-N 446.935 6.113 30 10 IKEE CC(C)(C)C(=O)Oc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1Br 2331029804 BTXHVXVGGJWVIT-UHFFFAOYSA-N 432.270 5.205 30 10 IKEE O=C(COc1ccccc1)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1Cl 2331142799 RPINMHBMITVSIJ-UHFFFAOYSA-N 427.283 5.874 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc(Cl)ccc3Cl)cc2)cc1 2331189381 NXALGVJLZOZVCT-UHFFFAOYSA-N 441.310 6.507 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C(F)(F)F)cc3)cc2)cc1 2331189898 UQLGFMBACDQQLK-UHFFFAOYSA-N 440.417 6.219 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1cccc(F)c1 2331254346 AHIQQPAIBYGMMM-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(OC(C)=O)cc1 2331293341 YSHKUXILWODBPC-UHFFFAOYSA-N 430.456 5.044 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(C)c3)cc2OC)c1 2331350741 QEDUZHSEQIMKDH-UHFFFAOYSA-N 434.463 5.657 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(C=CC(=O)c3cccc4ccccc34)cc2)CC1 2331469945 PACWMXGDMYDISL-UHFFFAOYSA-N 440.583 7.638 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)[C@H](C)c1ccccc1 2331704459 QDVOOAJQQKEUQY-LJQANCHMSA-N 448.946 6.571 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)COc1ccccc1 2331705480 SQXFMKLNMXBQCN-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)[C@@H](C)c1ccccc1 2331780285 UZFSBZFMYDSYLG-NRFANRHFSA-N 428.528 6.226 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)cc3)c(OC)c2)cc1C 2331854696 VGYJLIVAJXDOTG-UHFFFAOYSA-N 444.527 5.673 30 10 IKEE N#Cc1cccc(CSc2cc(I)ccc2Br)c1F 2338412436 ALSAOFKFYWALNY-UHFFFAOYSA-N 448.098 5.357 30 10 IKEE CC1(C)C[C@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)[C@@H]1OCc1ccccc1 2339579050 PWUHNUQHNRVJFD-GMAHTHKFSA-N 434.389 5.522 30 10 IKEE CCCN[C@H](C#C[C@H]1CC1(C)C)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2365096066 MIJVXBRRSPUDAA-QFBILLFUSA-N 435.406 5.886 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@@H]2/C=C/c1ccccc1 8721447 MEBYLSQVZSCHEG-VRAYXWLRSA-N 448.566 6.484 30 10 IKEE COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(-c4ccccc4)c32)cc1OC 9152912 WJTMMYBVMOFQPO-NRFANRHFSA-N 429.520 5.295 30 10 IKEE N#Cc1ccccc1Cn1c(=O)c2ccccc2n2c(=S)sc(-c3ccc(F)cc3)c12 20378446 VRVREMBZSFHRSU-UHFFFAOYSA-N 443.528 5.771 30 10 IKEE CCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1Cl 21231265 BRDHMIQJXFOZFQ-UZTOHYMASA-N 444.962 6.718 30 10 IKEE CCOc1ccc(/C=C2\S/C(=N/c3ccccc3)N(CCOC)C2=O)c2ccccc12 33349044 QXBDYDYTACEPOV-CGINZGNNSA-N 432.545 5.489 30 10 IKEE COc1cc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(C)cc3)c2)cc(OC)c1OC 34954341 PZLPPAAWISQIFV-JLHYYAGUSA-N 432.472 5.136 30 10 IKEE C=CCn1c(SCc2cc(=O)oc3cc(C)c(Cl)cc23)nc2sccc2c1=O 36800633 BTCWBMRUDKXIIK-UHFFFAOYSA-N 430.938 5.005 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)c4ccc(Br)cc4)ccc3C2=O)cc1 39754356 SZFQRSXFMXSQJN-FMCGGJTJSA-N 449.300 5.635 30 10 IKEE C=CCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccc(C)cc2)c1 39879817 ZUEKFTKRWUDTFV-RUZDIDTESA-N 437.495 5.724 30 10 IKEE Oc1c(Br)cc(Br)cc1/C=N/c1ccc2[nH]c(=S)sc2c1 59387192 JPVNDZSBKGJREZ-UBKPWBPPSA-N 444.173 5.940 30 10 IKEE C=CCOc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccc(Cl)cc2)cc1 64795590 IENQCVKPSKCBTJ-QGZVFWFLSA-N 439.920 5.806 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1cc4ccccc4o1)O3)CN(Cc1cccs1)CO2 94993322 DEIGRDGTHRCEEB-JJFYIABZSA-N 429.497 5.771 30 10 IKEE Cc1sc2nc(-c3ccccc3)n(Cc3cccc(C#N)c3)c(=O)c2c1-c1ccccc1 96527349 FIWPILBNUGEBKA-UHFFFAOYSA-N 433.536 6.020 30 10 IKEE COc1ccc(C)cc1-c1c(C)sc2[nH]c(SCc3cccc(C#N)c3)nc(=O)c12 96534652 RHBOIEMRMYUPCM-UHFFFAOYSA-N 433.558 5.441 30 10 IKEE CCCCCCCOc1ccc(NC(=O)c2sc3cc(OC)ccc3c2Cl)cc1 100463569 SULCPOLZSVNDNM-UHFFFAOYSA-N 431.985 7.165 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S/C1=N/c1cccc(C)n1 101125548 TYRWQHDDZQUAGN-BBWXTVSKSA-N 434.477 5.182 30 10 IKEE CCN(CC)CCCN1C(=O)C(=O)/C(=C(\O)c2ccccc2)[C@@H]1c1ccc(C(C)(C)C)cc1 103228250 YJYCBCPJCLKPSR-MYXKAAJQSA-N 448.607 5.138 30 10 IKEE Cc1ccc(/N=C2/SCCCN2C(=O)/C=C/c2ccc(Br)o2)cc1Cl 104995547 WSHFDUWLVADLPY-DKLPTJQUSA-N 439.762 5.670 30 10 IKEE C=CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)[C@@H](C)CC 169678913 VIJBPICREKKJDO-JTHBVZDNSA-N 449.595 5.043 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2c2ccccc2)cc1 170032509 XVLIRHBXTKYHFV-RUZDIDTESA-N 441.527 5.821 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(O)c(Cl)c1)c1ccc(Cl)cc1 170043995 DDIRCHCOEXXSNB-IBGZPJMESA-N 432.303 5.220 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2cccc3ccccc23)ccc1F 170044770 CGZLMDHFGDGYRB-YADARESESA-N 445.490 5.045 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@@H]1c1cccc(C)c1 170147332 VETPAOMVHRURON-DEOSSOPVSA-N 449.591 6.070 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccs2)c1 170156345 WVPAJOSGXKUQCK-WAIKUNEKSA-N 445.540 5.471 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2cccs2)cc1 170158439 VWXBJGNMDQIQMP-QFIPXVFZSA-N 433.529 5.547 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1cccnc1)c1ccc2ccccc2c1 170183247 ISSLSFNRNFZRHG-JOCHJYFZSA-N 426.497 5.075 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccncc2)ccc1Cl 170206195 JQKLRRLLQNQEOL-QFIPXVFZSA-N 448.906 5.225 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(OCC)cc1 170214458 MDNHUDSEPSSTSS-QHCPKHFHSA-N 437.536 5.171 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccccc2)c(C)c1 170228122 NNNGDYBFBPQSDK-SANMLTNESA-N 433.507 6.240 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2ccccc2)cc1 170229196 UNAOHMPEPLMMFT-QHCPKHFHSA-N 449.453 5.535 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 170235160 NLPBTFKOLVDWJG-DEOSSOPVSA-N 443.930 6.002 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(C(C)C)cc1 170245836 YSLOJCWXHSDVOM-AREMUKBSSA-N 445.603 6.457 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2F)c(C)c1 170248084 XRYBCIHKSUEIHI-JOCHJYFZSA-N 435.426 5.065 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccco2)cc1 170281132 RPOOTAWRKWWABA-VOIUYBSRSA-N 443.499 5.509 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccc(C)o2)cc1C 170305615 QCBCVJFIAFSTQQ-HSZRJFAPSA-N 431.488 5.386 30 10 IKEE Cn1cc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccc(F)cc2)c2ccccc21 170424156 QNOSEMBYKPRHPF-XMMPIXPASA-N 440.474 5.096 30 10 IKEE CCCOC(=O)c1ccc(CN2C(=O)C(O)=C(C(=O)CC(C)C)[C@H]2c2cccc(C)c2)cc1 170459299 RVPQDCOQCXRLLQ-XMMPIXPASA-N 449.547 5.073 30 10 IKEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 170470708 JKNRXCAIUXCAGJ-VWLOTQADSA-N 449.591 5.546 30 10 IKEE CCOc1cc([N+](=O)[O-])cc(C=Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)c1O 254312524 MSVZVFYBFZUNLH-UHFFFAOYSA-N 431.448 5.875 30 10 IKEE COc1ccc2ccccc2c1C=Nc1ccc(N=Cc2c(OC)ccc3ccccc23)cc1 254865329 HHYXHLZMJNQUBY-UHFFFAOYSA-N 444.534 7.511 30 10 IKEE CCCCCC/C(C=Nn1c(O)nc2c([nH]c3ccc(F)cc32)c1=O)=C\c1ccccc1 254870362 VPINXZQWBLHRBQ-XGFVSPAISA-N 432.499 5.610 30 10 IKEE C=CCn1c(SCc2nc(O)c3oc4ccccc4c3n2)nnc1-c1ccc(C)cc1 489643172 JLMKQDSOEYYUEX-UHFFFAOYSA-N 429.505 5.127 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1/N=C\c1cccc(OC)c1OCCC 526799498 GCVOSVPTPZOKBR-UQQQWYQISA-N 438.597 5.593 30 10 IKEE CCOc1ccc(/C=N\n2c(C)nnc2SCc2ccc(F)cc2)cc1Br 526801298 JGNHQTWYUKERRG-JJFYIABZSA-N 449.349 5.061 30 10 IKEE CCOc1cc(/C=N\n2cnnc2SCc2ccc(C)cc2)cc(Cl)c1OCC 526803939 XBZKCGMZVDVMFY-MSXFZWOLSA-N 430.961 5.212 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1ccc(OC(C)C)cc1 526815209 YRTGVALJEKCPQC-MSXFZWOLSA-N 449.407 6.109 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2cccc(Cl)c2Br)c1 719725912 KONOIEIJXRTGHR-QGZVFWFLSA-N 435.749 6.417 30 10 IKEE CCN(CC)c1ccc(C=Nc2ccc(N=Cc3ccc(N(CC)CC)cc3)cc2)cc1 1084223371 MWEVDKDURCRSQM-UHFFFAOYSA-N 426.608 6.880 30 10 IKEE CCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=Nc1nc(-c2ccccc2)cs1 1772738175 OWRFMKNOPPWCHN-OKZFSLEBSA-N 436.518 5.342 30 10 IKEE CCCCCn1c(O)c(N=Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c(C)c(C#N)c1=O 1772741237 ARCMIXUICMAZLN-UHFFFAOYSA-N 437.378 5.267 30 10 IKEE C/C(C=NN=C1S/C(=C\c2ccc(F)cc2)C(=O)N1Cc1ccco1)=C\c1ccccc1 1772758781 DFZATLBSPNDLAM-FNDBNHCESA-N 445.519 5.981 30 10 IKEE Cc1cc(C(=O)C[C@H]2SC(=Nc3ccccc3)N(c3ccccc3)C2=O)ccc1Cl 1772759975 JBXDRPNKAFWALY-JOCHJYFZSA-N 434.948 6.058 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)c2cc(C(C)C)nc3ccccc23)nc2ccccc12 1859656810 DAEMQKFTDDLDEJ-UHFFFAOYSA-N 446.514 5.525 30 10 IKEE N#Cc1cnn(-c2ccc3ccccc3n2)c1NC(=O)c1csc(C2CCCCC2)n1 1859741926 IBZAKQCVMZCNCE-UHFFFAOYSA-N 428.521 5.049 30 10 IKEE N#Cc1cccc(C(=O)Nc2ccc(Cl)c(NC(=O)c3ccc(-n4cccc4)cc3)c2)c1 1860461548 GCKFLMYXKOEANN-UHFFFAOYSA-N 440.890 5.507 30 10 IKEE O=C(/C=C/c1ccc(Br)cc1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 1860725595 UVTMJDSWXSEMLK-ZZXKWVIFSA-N 433.516 5.630 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](C)NC(=O)COc1ccc(C)cc1C(C)(C)C 1861626490 RXURFFLCODOYJU-OAQYLSRUSA-N 432.649 5.433 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CCCCCCC2)c1 1862412087 WLIJSEVPKNTTBK-QHCPKHFHSA-N 439.502 5.964 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@H]1c1ccc(F)cc1)c1ccc(F)cc1F 1862413763 KNLBWPDEEBOBGZ-QFIPXVFZSA-N 441.449 5.573 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cc(Cl)cc(Cl)c1 1862451752 MUEHKLBDSLDGFH-GOSISDBHSA-N 438.738 5.881 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2cccc(F)c2)c1 1862489525 XEVXVTIJFUQETD-HSZRJFAPSA-N 433.454 5.360 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccc(F)cc2)ccc1F 1862502367 YANYALLQNOPNBY-MWTRTKDXSA-N 433.454 5.613 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2cc(C)ccc2C)cc1 1862507314 IUVZUCLJJFUXCW-RUZDIDTESA-N 443.518 5.838 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2cccc(Cl)c2)cc1 1862516888 ZORAFYYVCQNFIU-VFNWGFHPSA-N 427.928 5.506 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 1862520605 MEEVTVSQKDGGQZ-HXUWFJFHSA-N 445.437 5.235 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3cccc(Br)c3)=C(O)C(=O)N2C2CC2)cc1 1862526610 IDQRTMPMOCHXNZ-FQEVSTJZSA-N 440.337 5.313 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2cc(Cl)cc(Cl)c2)cc1 1862539016 TWDDJBBABGHEGR-RBZFPXEDSA-N 432.347 5.933 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2cccc(Cl)c2)c1 1862554647 HSXGHDMRGKPYBJ-QFIPXVFZSA-N 432.907 5.009 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cc(Cl)cc(Cl)c1)c1cccc(O)c1 1862597950 NWKHVWIXTZCSND-IBGZPJMESA-N 444.270 5.071 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(Cl)cc1Cl 1862598926 YNOVRDLEVJVGJG-FQEVSTJZSA-N 448.346 5.858 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(F)cc1F 1862615430 KMOVPRPUSYNHQY-LHSJRXKWSA-N 427.491 5.639 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(F)cc2)cc1F 1862639259 USHSMHFXZRJEEC-QFIPXVFZSA-N 441.474 5.275 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862644395 KBKLNEFEHIDBIO-NYHFZMIOSA-N 439.527 5.509 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2ccc(F)cc2)c1 1862703255 SFHLHPKQCUQPPI-XMMPIXPASA-N 445.490 5.230 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cccc2ccccc12 1862737039 CCHYZFDWBBYXRP-NYHFZMIOSA-N 430.460 5.125 30 10 IKEE C=CCN1C(=O)C(Nc2cccc3c(O)cccc23)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863283645 DUCKOJOIQGZVHE-UHFFFAOYSA-N 439.298 5.230 30 10 IKEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2CCC)[C@@H]1c1ccco1 1864460018 PMMZLEQGKCNURU-NRFANRHFSA-N 442.604 5.010 30 10 IKEE Cc1ccccc1-c1nc(Nc2ccccc2C#N)cc(N2CCc3ccc([N+](=O)[O-])cc32)n1 1868306480 DDDUHFGKTFASOE-UHFFFAOYSA-N 448.486 5.670 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](NC(=O)C[C@@H](c1ccc(C)c(C)c1)C1CC1)c1ccccc1 1868690437 WSPWQMYBAOYUMJ-XNMGPUDCSA-N 430.592 5.245 30 10 IKEE CCCCCCCOc1cn(CCC2=CCCCC2)c(CSc2ncccn2)cc1=O 1870259754 HJSBOKRPEAFNLW-UHFFFAOYSA-N 441.641 6.170 30 10 IKEE CCCCCCCOc1cn(CCCCCO)c(CNc2ccccc2C(C)C)cc1=O 1870838023 KNVYNWOVELSPKV-UHFFFAOYSA-N 442.644 6.096 30 10 IKEE C=CCn1cc(OCCCCOc2ccc(C)cc2)c(=O)cc1CNc1ccc(F)cc1 1871226518 VRVPXHJXJYBFQN-UHFFFAOYSA-N 436.527 5.332 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)c4cccc(OCC)c4)ccc3C2=O)cc1 1871386957 AVHXMXRSAJOTOT-OYKKKHCWSA-N 430.456 5.319 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCCCCOc4cccc(C)c4)cc(C)c3C2=O)cc1 1871403055 CBJFPOCWYHCHCJ-IMRQLAEWSA-N 442.555 6.720 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OCC(=O)Nc3ccccc3Cl)ccc2C1=O 1871455147 CMVADUCWWPHCOK-ODLFYWEKSA-N 425.893 5.344 30 10 IKEE C=CCN(CC=C)c1nc(=NCCC2=CCCCC2)[nH]c(=Nc2cccc3ccccc23)[nH]1 1871728193 RIKSNBIZFUNDNJ-UHFFFAOYSA-N 440.595 5.093 30 10 IKEE COc1cccc(-c2csc([C@@H](C#N)C(=O)c3cccc(Oc4ccccc4)c3)n2)c1 1872762489 OHKOVQOFYRPAAL-QFIPXVFZSA-N 426.497 6.101 30 10 IKEE N#C[C@@H](C(=O)c1cccc(Oc2ccccc2)c1)c1nc(-c2ccccc2Cl)cs1 1872764206 HBJQYXIOPKLBCU-FQEVSTJZSA-N 430.916 6.746 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1C 1872765785 WXGCUHIFEAWTIE-HNNXBMFYSA-N 427.869 5.179 30 10 IKEE CC(=O)Oc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 1872769083 JAQFHZYUBYWCQN-OAHLLOKOSA-N 431.300 5.532 30 10 IKEE CC(C)(C)c1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1 1872773850 ZGTXVJIPKLROKK-MRXNPFEDSA-N 439.924 6.159 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccccc3C)n2)c(C)c1C 1872778953 YFQYVKBQJNSEIL-FQEVSTJZSA-N 434.561 5.779 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@H](C#N)C(=O)Cc3ccc(F)cc3F)n2)c1 1872781344 SXZTXWSCMLNMTD-GOSISDBHSA-N 442.487 5.305 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(OC)c(OC)c3)n2)cc1C 1872788382 YXELCDSDWJZSBX-FNQPIQQGSA-N 448.544 5.342 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C(C)C)cc2)cc2c(N(CCC)CCCC)ncnc21 1873659144 CUSKSAMGNAGQCC-UHFFFAOYSA-N 433.600 6.010 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OCC)cc2)n1/N=C/c1ccc(F)cc1F 1874303644 KRRUHCCMFBQPPJ-DHRITJCHSA-N 428.508 5.096 30 10 IKEE COc1cc(/C=N/n2c(CCc3ccc(C)c(C)c3)nnc2SC)ccc1OC(C)C 1874329487 QXLCFCQYYCPQNV-MFKUBSTISA-N 438.597 5.080 30 10 IKEE C=CCSc1nnc(Cc2ccc(OC)cc2)n1/N=C/c1ccc(OCCCC)cc1 1874351702 FNWNKCXXNDEIPV-XIEYBQDHSA-N 436.581 5.217 30 10 IKEE C=CCSc1nnc(COCc2ccccc2)n1/N=C/c1ccc(N(CC)CC)cc1 1874355257 VCJGGDGNAYIWPV-KOEQRZSOSA-N 435.597 5.001 30 10 IKEE Cc1ccc(/C=N/n2c(CCc3ccccc3C)nnc2SCc2ccc(C)cc2)cc1 1874360133 PZATZYNMLQBGAJ-MTDXEUNCSA-N 440.616 6.163 30 10 IKEE COc1ccccc1/C=N/n1c(COc2ccccc2)nnc1SCc1ccc(C)cc1 1874382675 BSNMNCPDQRUWGL-WGOQTCKBSA-N 444.560 5.349 30 10 IKEE Cc1cccc(CSc2nnc([C@@H](C)c3ccccc3)n2/N=C/c2ccc(O)cc2O)c1 1874393578 QPYOVQOJIOWHJH-CMPFEXHJSA-N 444.560 5.324 30 10 IKEE Cc1ccccc1CSc1nnc(CC2CCCCC2)n1/N=C/c1ccc(N(C)C)cc1 1874406850 XTVUMAUYFNRKOT-OVVQPSECSA-N 447.652 5.950 30 10 IKEE CCSc1nnc(-c2cccs2)n1/N=C/c1ccc(OCc2ccccc2C)cc1 1874423565 RUJSGQCEUNEHJI-BUVRLJJBSA-N 434.590 5.888 30 10 IKEE CCCSc1nnc(-c2cccs2)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874423753 CPCRXZNAYLAWJR-LFVJCYFKSA-N 448.573 5.610 30 10 IKEE Fc1cccc(CSc2nnc(C(F)(F)F)n2/N=C/c2c(Cl)cccc2Cl)c1 1874461126 XKYPDCGHBZBVTB-KTZMUZOWSA-N 449.260 5.917 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1cccc(Br)c1 1874475686 MQSXXLGECSGSOH-OEAKJJBVSA-N 443.414 5.866 30 10 IKEE CC(C)Cc1nnc(SCc2ccccc2Cl)n1/N=C/c1c(F)cccc1Cl 1874490201 FAOKDQBRNIALCB-BHGWPJFGSA-N 437.371 6.097 30 10 IKEE CCSc1nnc(C2CCC2)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874492976 OXQGJYXMUUJGPU-ZVHZXABRSA-N 426.973 5.772 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2C(C)C)cc1OCC 1874509293 VMVYBPSZYQZDNT-MFKUBSTISA-N 438.597 5.682 30 10 IKEE CSc1nnc(C(C)C)n1/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1874509743 SIBJNXGDNXHSSZ-FOKLQQMPSA-N 435.380 5.891 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(C)c2)cc1 1874575898 MNAGVSFOLHGCGY-KPKJPENVSA-N 449.934 5.879 30 10 IKEE Cc1ccc(C(=O)/C=C/c2c(OCC(=O)Nc3ccccc3)ccc3ccccc23)cc1C 1874588361 IXDJBZSYQIASOQ-FOCLMDBBSA-N 435.523 6.370 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1 1874592347 KODXUWAUGMGYMA-VMPITWQZSA-N 447.745 7.131 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1OCc1cccc(F)c1 1874596699 ZFACRZXZGXMNRO-WEVVVXLNSA-N 431.290 6.616 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OCc1ccccc1F 1874601917 KFEYQIKHNXMADE-GZTJUZNOSA-N 438.498 6.976 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Cl)c1OCc1cccc(C)c1 1874612305 OATBGORSQKEUDH-ZHACJKMWSA-N 441.354 7.176 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OCc1ccc(Cl)cc1Cl 1874613426 SYUYNOPULGKDFB-WEVVVXLNSA-N 447.745 7.131 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OCC(=O)Nc1ccc(C)cc1 1874616030 HIAKZEWDKOMYIV-NTEUORMPSA-N 445.515 5.234 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OCc2ccccc2F)c([N+](=O)[O-])c1 1874629502 GKZQNDQGAFLDQN-CSKARUKUSA-N 435.451 5.834 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3C)cc2)cc1C 1874636917 ZLECKFNROQOEGS-SDNWHVSQSA-N 429.516 5.534 30 10 IKEE COc1cccc(C(=O)/C=C/c2cccc(OC(=O)c3[nH]c4ccc(C)cc4c3C)c2)c1 1874695398 YZCNLVHDKASEEG-ACCUITESSA-N 425.484 5.909 30 10 IKEE O=C(CCc1ccccc1)Oc1cccc(/C=C/C(=O)c2ccc(Br)cc2)c1 1874697483 ZTWBEPNPHFIYSQ-OQLLNIDSSA-N 435.317 5.883 30 10 IKEE O=C(CCCOc1ccc2ccccc2c1)Oc1cccc(/C=C/C(=O)c2ccccc2)c1 1874700369 OVYHNECPKRPOND-OBGWFSINSA-N 436.507 6.501 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1OC(=O)Cc1cccs1 1874702142 JAKKTOPOBYWODF-XBXARRHUSA-N 447.339 6.108 30 10 IKEE COc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(C)cc3C)c2)cc1[N+](=O)[O-] 1874702254 LVTQWUWSIRWXQG-DHZHZOJOSA-N 431.444 5.336 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1OC(=O)CCCSC 1874710403 AMJYODAORLFPHU-PKNBQFBNSA-N 426.578 5.874 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cccc(OC(=O)c3ccccc3OC)c2)c1 1874711795 KNXVXGXTOGYLIH-FYWRMAATSA-N 446.499 5.608 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccccc2)CSc2nnc(C(F)(F)F)n21 1874916563 DFOZUNDNPAJYKK-INIZCTEOSA-N 426.508 5.359 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1ccccc1Cl 1875095823 JNXLHDBKRCDJGZ-GXDHUFHOSA-N 442.898 6.617 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Br)c(OC(=O)CC)c(OC)c2)cc1 1875106177 GFCPDRFOULQSOK-JLHYYAGUSA-N 445.353 6.012 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc(OC)c1OC(=O)c1ccccc1 1875108981 QCIIBNKWYDTQGI-WYMLVPIESA-N 442.511 5.856 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(C)c3)cc2)c1 1875140920 FMXUCRWBBIEGQE-XNTDXEJSSA-N 432.491 6.103 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1 1875162051 UKGGVKUNHNGSQL-NTEUORMPSA-N 438.426 5.244 30 10 IKEE CCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1OC 1875166467 IBXONFPVPBNCPZ-VQHVLOKHSA-N 447.325 5.295 30 10 IKEE N#C[C@H]1CC12CCN(C(=O)c1cc(-c3ccccc3)nc3ccc(Br)cc13)CC2 1891256212 IZPWDOSNODCOKV-QGZVFWFLSA-N 446.348 5.430 30 10 IKEE Cc1c(C(=O)N2CCC(C#N)(c3ccccc3)CC2)sc2nc(-c3ccc(F)cc3)cn12 1891600605 MVZCKGSFJKFFDR-UHFFFAOYSA-N 444.535 5.208 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)OC(C)(C)C 1922086365 PPGOIBHWWVQDMH-SBFWRKJZSA-N 428.617 5.163 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)C(C)(C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1922091970 OKJUPOBEHMVZPA-DNQXCXABSA-N 444.660 5.801 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)C(C)(C)[C@H](NC(=O)OC(C)(C)C)C1CC1 2009342865 FLUMOFYORWZJJE-DHIUTWEWSA-N 430.633 5.457 30 10 IKEE C=CCCCCCCCCC[C@@H](CCN(Cc1ccccc1)C(=O)OC(C)(C)C)NC 2026312555 INEPDFKNSQJIEN-VWLOTQADSA-N 430.677 7.099 30 10 IKEE CC(C)(C)OC(=O)Nc1ccccc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2031834890 NVZBNCGALGPAFX-HXUWFJFHSA-N 441.503 6.179 30 10 IKEE Cc1nn2c3ccccc3n(C)c2c1C(=O)C=Cc1ccc(-n2cnc3ccccc32)cc1 2042448954 RCDAMWAUGBPBAE-UHFFFAOYSA-N 431.499 5.369 30 10 IKEE C[C@@H]1C[C@@](C#N)([C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CO1 2071349398 OAHFVZQEBAROOG-UIFDUCBYSA-N 429.516 5.197 30 10 IKEE CCc1nn([C@@H](c2ccc(C)c(C)c2)C(C)(C)C)c(I)c1/C=N/O 2079094466 UUZGPLDCBQASOK-RYFGYPJOSA-N 439.341 5.111 30 10 IKEE CC1(C)C[C@](C)(c2ccccc2)c2cc(F)cc3c2N1C(=O)/C3=C/C(=O)c1ccccc1 2087928571 ANSUJZXBEGRLOW-KUMKHWPZSA-N 425.503 5.927 30 10 IKEE CC[C@@H]1C[C@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)C[C@](C#N)(NC2CC2)C1 2118767341 RZKHUQPWAMSREE-OFQAEJFBSA-N 444.667 5.214 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@](C)(C#N)C1CCC(F)(F)CC1 2158480896 YJIKYDIZZFGGHU-IBGZPJMESA-N 443.332 6.298 30 10 IKEE COc1cc(Nc2ccc(C#N)cc2Br)ccc1CNC(=O)OC(C)(C)C 2192918108 IZHPPAWSGOBDMC-UHFFFAOYSA-N 432.318 5.098 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)C1(C#N)[C@H]2CC[C@H]3C[C@H]2CC[C@H]31 2205250019 JYNOPJMEFZDFDS-WKLPCMBPSA-N 431.374 5.909 30 10 IKEE Cc1sc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)c(C)c1Br 2226504537 XTIFIGWXLYSXMP-HNNXBMFYSA-N 439.350 6.273 30 10 IKEE C=CC[C@@H](C)[C@H](NCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2229170847 GTXXBKRJGMDREG-MNEFBYGVSA-N 425.411 5.075 30 10 IKEE CCCCCC#CC[C@@H](NC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248459169 UYVFAABIZVNUSE-HSZRJFAPSA-N 428.617 5.002 30 10 IKEE CCCCCCCCCCC(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2256715587 HZQJJXIGDZQRPY-UHFFFAOYSA-N 445.644 6.540 30 10 IKEE CCCN[C@@H](CC=CC#CC(C)(C)C)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256730385 DVNHROOXZLYINL-BJKOFHAPSA-N 442.644 5.461 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(Nc3c(Br)cccc3C#N)CCCCC[C@@H]12 2285171767 QKWCKRAJQZDKHT-DYESRHJHSA-N 434.378 5.445 30 10 IKEE C=CCN1C(=O)C(=Cc2cccc(OCc3c(Cl)cccc3Cl)c2)SC1=S 2293128387 UXGATXLGXPZDJJ-UHFFFAOYSA-N 436.385 5.960 30 10 IKEE Cc1cccc(N2C(=O)C(=C3Sc4ccccc4N3C)SC2=Nc2ccccc2O)c1 2295181946 LHVASEXWARVMIH-UHFFFAOYSA-N 445.569 5.879 30 10 IKEE CCN1C(=O)C(=C2Sc3ccc(OC)cc3N2C)SC1=N[C@@H](C)c1ccccc1 2295203843 MADKRYSQLQJOKH-AWEZNQCLSA-N 425.579 5.119 30 10 IKEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3ccccc3)[C@H]2c2ccc(Br)cc2)cc1 2297745554 NXUKRGQBLOKKPD-NRFANRHFSA-N 448.316 5.384 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OC(=O)N(c2ccccc2)c2ccccc2)cc1 2314429977 SVCLXXKSDFWBAB-UHFFFAOYSA-N 449.506 6.928 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(C3CC3)n2N=Cc2ccc(C(C)C)cc2)o1 2320849877 SZSSYJUZPPHCFF-UHFFFAOYSA-N 438.553 5.223 30 10 IKEE COc1cc(C=C2Oc3cc(OCc4ccc(C)cc4)cc(C)c3C2=O)cc(OC)c1OC 2321744082 QFHJNLMBBADEKG-UHFFFAOYSA-N 446.499 5.524 30 10 IKEE O=C1C(=Cc2cc(Cl)cc3c2OCOC3)Oc2cc(OCc3cccc(F)c3)ccc21 2321884513 VSEVSRZQROYOHH-UHFFFAOYSA-N 438.838 5.541 30 10 IKEE O=C1C(=Cc2ccco2)Oc2c1ccc1c2CN(Cc2cccc(C(F)(F)F)c2)CO1 2321908465 MVHLZFRGPHCCNR-UHFFFAOYSA-N 427.378 5.267 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C)cc2C)c1OCC(=O)Nc1cccc(C)c1 2322579918 ZFHDLQAAFLFGSI-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)COc4ccc(C)cc4)cc(C)c3C2=O)cc1 2323201550 JMYDKCRVRYEUOU-UHFFFAOYSA-N 428.484 5.466 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCc3ccc(Cl)c(Cl)c3)c2)c(C)c1C 2323247916 DKCQLWDUVUEWJP-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](C)NC(=O)C=Cc1ccc(Cl)cc1Cl 2323302836 GGPSWKCWTXAALL-KRWDZBQOSA-N 427.416 5.768 30 10 IKEE Cc1cc(OC(=O)C=Cc2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1ccccc1F)O2 2323327366 WVBWNZRDPURGKS-UHFFFAOYSA-N 434.850 6.023 30 10 IKEE CCCc1nnc(S)n1N=Cc1ccc(OCc2ccc(C(C)(C)C)cc2)c(OC)c1 2323486780 FIFZBUCIGSWWPP-UHFFFAOYSA-N 438.597 5.287 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 2323987313 QAOVSEAFYGMHGV-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3c(ccc(O)c3CN(C)C3CCCCC3)C1=O)cn2C 2324073569 ITKVZTKDEDLRCD-UHFFFAOYSA-N 446.547 5.273 30 10 IKEE CC1CCN(Cc2c(O)ccc3c2OC(=Cc2cccc(Br)c2)C3=O)CC1 2324151788 ICUBPLRYTDZWJY-UHFFFAOYSA-N 428.326 5.003 30 10 IKEE N#C[C@H](C(=O)C=Cc1ccc(Cl)cc1Cl)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2324339207 LTZXCMNQYIYONY-MRXNPFEDSA-N 444.299 5.915 30 10 IKEE CCc1cccc(CC)c1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1cccs1)C2=O 2324381095 IGLFPLNZLSRERT-MRXNPFEDSA-N 447.556 5.895 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccccc1Cl 2324434101 ODCRRZCZYCXPKP-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OCCc3ccccc3)c(OC)c2)c(OC)c1 2324465055 SMUORLZVMOHBSL-UHFFFAOYSA-N 448.515 5.239 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(C(C)(C)C)cc3)n2)cc1 2324545638 KRWOWPSAHHIRKZ-QHCPKHFHSA-N 444.600 6.786 30 10 IKEE COC(=O)c1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 2324612236 UIVMZBNZOITYDT-NRFANRHFSA-N 444.556 5.784 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(C=CC(=O)c3cc(C)c(OC)cc3C)cc2)cc1 2324627933 DEXONUDDFMBLSL-UHFFFAOYSA-N 443.543 5.788 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)ccc1OCc1cccc(F)c1 2324665868 PDZLGFSVFILTMD-UHFFFAOYSA-N 445.317 7.006 30 10 IKEE Cc1cc(OCCC(=O)Nc2ccccc2)cc2c1C(=O)C(=Cc1ccccc1Cl)O2 2325480005 GBQKPEATQKVPSA-UHFFFAOYSA-N 433.891 5.672 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1N=Cc1c(Cl)cccc1Cl 2325603954 ZFEOXLKBHQHDIV-UHFFFAOYSA-N 441.387 6.475 30 10 IKEE COc1cc(OC)c(OC)cc1C=C1Oc2cc(OCc3cccc(C)c3)ccc2C1=O 2325720383 HZYQQKRIRJLBNW-UHFFFAOYSA-N 432.472 5.216 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(Cl)c(Cl)c2)c1)c1cccc(Cl)c1 2325728324 DKWAWLXGBKUKOC-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C)c(Cl)c4)ccc3C2=O)c1 2325729264 XYHHCDOYWZUVNY-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3cccs3)c2)cc1 2325738752 PFUPPXOGSNEBAC-UHFFFAOYSA-N 436.529 5.590 30 10 IKEE CCCC(=O)Oc1cc(C=CC(=O)c2ccc(C)c(C)c2)c(Br)cc1OC 2325760271 UHHCQOHMLXTBMK-UHFFFAOYSA-N 431.326 5.676 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)[C@H]3C[C@H]3c3ccccc3Cl)c2)c(C)c1 2325764929 ORPFETWSYVOKOG-ZEQRLZLVSA-N 444.958 6.870 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccccc1 2326014547 RRKVTANKGOOZNM-UHFFFAOYSA-N 426.973 5.494 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(OC)c(OC)c2)n1N=Cc1sccc1C 2326190962 DLPHAICTOJKWFS-UHFFFAOYSA-N 442.610 5.001 30 10 IKEE Cc1cccc(CSc2nnc(Cc3cccc4ccccc34)n2N=Cc2ccncc2)c1 2327724224 SMXNXTNYIBDFBW-UHFFFAOYSA-N 449.583 5.900 30 10 IKEE C=CCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(C(C)C)cc1 2327771829 BDFXKSVRQLSTEL-UHFFFAOYSA-N 426.589 6.306 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccncc1 2328021354 RSTZZZOXSHFCGI-UHFFFAOYSA-N 447.995 5.595 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(OC)cc2)n1N=Cc1ccc(Cl)cc1 2328386342 DGAAESBSRDIIEK-UHFFFAOYSA-N 428.945 5.070 30 10 IKEE COc1cccc(CCc2nnc(SCc3cccc(C)c3)n2N=Cc2ccccc2)c1 2328618962 GCGBBBUGKLFGKD-UHFFFAOYSA-N 442.588 5.555 30 10 IKEE Cc1ccccc1C=Nn1c(Cc2ccc(Cl)cc2)nnc1SCc1ccccc1C 2329077025 IIVWQJDHNKQAKP-UHFFFAOYSA-N 447.007 6.314 30 10 IKEE Fc1ccc(CSc2nnc(Cc3ccc(Cl)cc3)n2N=Cc2ccco2)cc1 2329077753 LSRQHQXJWUSXOC-UHFFFAOYSA-N 426.904 5.429 30 10 IKEE CCCOc1c(C=Nn2c(Cc3ccc(F)cc3)nnc2SCCC)cccc1OC 2329853967 WVDWEPYRRPLXHO-UHFFFAOYSA-N 442.560 5.190 30 10 IKEE CCc1ccc(C=Nn2c(COc3ccccc3)nnc2SCc2ccc(C)cc2)cc1 2329872532 GUMOOOIHHVXISN-UHFFFAOYSA-N 442.588 5.902 30 10 IKEE CCc1ccc(C=Nn2c(Cc3cccs3)nnc2SCc2cccc(F)c2)cc1 2330360009 SVVNHRCEARLKTE-UHFFFAOYSA-N 436.581 5.806 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3cncc(C)c3)c(OC)c2)cc1 2330742724 FLYIUNKRCLYKCQ-UHFFFAOYSA-N 431.488 5.085 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2Cl)cc1)c1ccc(Cl)cc1Cl 2330804482 MAIPBWIPRALKIM-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)CC(C)(C)C)c(OC)c2)cc1C 2330854700 JTVTYPOBPYNWHZ-UHFFFAOYSA-N 430.928 5.903 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)cc1 2331051746 IPLVHMKDNYWGLK-FCHUYYIVSA-N 432.903 5.954 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SCc3ccccc3)nnc2C2CCCC2)cc1 2331070877 XUTVXSKWDUKMAK-UHFFFAOYSA-N 448.636 6.679 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OC(=O)CCc1ccccc1C 2331108775 OSMJKOMIDCUMSR-UHFFFAOYSA-N 436.454 5.716 30 10 IKEE CCc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C(F)(F)F)cc1 2331163317 VYGXIKBOWHEKJQ-UHFFFAOYSA-N 442.869 5.826 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(CC)cc3)c(Cl)c2)cc1 2331304112 LUCJQZRYVWKYNY-UHFFFAOYSA-N 448.946 6.807 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccccc3C)c(Br)c2)c1 2331320497 WXVOSLQJIVBMPN-UHFFFAOYSA-N 449.344 6.490 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OC 2331331119 UHYIBAVZZZSETG-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE CCOc1cc(C=Nn2c(SCc3ccccc3Cl)nnc2C(C)(C)C)ccc1O 2331398315 GXNNOWVODNCSRT-UHFFFAOYSA-N 444.988 5.508 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccncc1 2331424833 JKOPATQAXCDWQE-UHFFFAOYSA-N 429.516 5.893 30 10 IKEE CCSc1nnc(CC(C)C)n1N=Cc1cccc(OC)c1OCc1cccc(C)c1 2331445605 PQZQAVKBZYHZGL-UHFFFAOYSA-N 438.597 5.367 30 10 IKEE C=CCSc1nnc(CC(C)C)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2331462724 JJVYIXUNFUENKF-UHFFFAOYSA-N 441.000 5.869 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2ccc(Cl)cc2)nnc1C1CCC1 2331539645 BCKUGTTVISAAPD-UHFFFAOYSA-N 438.984 5.938 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2Br)cc1 2331706250 SAHWVXJKLYQDGT-UHFFFAOYSA-N 449.344 6.490 30 10 IKEE CCCN(CCC)C(=O)CSc1nnc(C(C)C)n1N=Cc1ccc(C(C)(C)C)cc1 2331706661 ICOOQEQOSVEWHM-UHFFFAOYSA-N 443.661 5.322 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)ccc1OC(=O)c1ccncc1 2331761505 YSDHATDPRRODME-UHFFFAOYSA-N 437.879 5.176 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)c1cnccn1 2331863811 MUVVUQPDYOKZRI-UHFFFAOYSA-N 443.286 5.297 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)cc(OC)c1OC(=O)CC(C)C 2331863910 GXUTVFRPUOZNIS-UHFFFAOYSA-N 447.358 6.578 30 10 IKEE COC(=O)c1ccc(COc2ccc3c(c2)O/C(=C/c2c(F)cccc2Cl)C3=O)cc1 2411839 QUZVRGOKRCQNPD-WSDLNYQXSA-N 438.838 5.461 30 10 IKEE CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2C#N)[C@H]1c1cccs1 9433265 ZPNSYCMRUOZQQI-XZOQPEGZSA-N 429.545 5.195 30 10 IKEE Cc1cc(C)c(C#N)c(SCC(=O)Nc2nsc(-c3ccc(C(C)(C)C)cc3)n2)n1 9591118 ZZRZQOQPKPMHSP-UHFFFAOYSA-N 437.594 5.117 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2)cc1 10109660 KMYDVOOPVXJAHJ-SYZQJQIISA-N 437.948 5.976 30 10 IKEE CCc1ccc(/C=C2\S/C(=N\c3cccc4ccccc34)N(Cc3ccccc3)C2=O)cc1 14358677 NHMYWLKXCPQTMO-OQJTVLEQSA-N 448.591 7.206 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(F)c2)cc1 21252127 IEZURXSMVYEDMV-PPHZAIPVSA-N 428.507 6.204 30 10 IKEE Cc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(Cl)c(Cl)c2)C3)cc1[N+](=O)[O-] 21252423 VINQBKVSMJMSBP-LSDHHAIUSA-N 445.302 5.214 30 10 IKEE CCOc1ccc2oc(C)c(C(=O)Oc3ccc(C(=O)/C=C\c4ccccc4F)cc3)c2c1 34955168 LUUXXBCDZCUNQJ-UVTDQMKNSA-N 444.458 6.394 30 10 IKEE COc1c(Br)cc(CNc2cc(Cl)ccc2C#N)cc1Br 37277825 GMBBWGLTFKJEAY-UHFFFAOYSA-N 430.527 5.357 30 10 IKEE Cc1c(C(=O)Nc2cccc3ncccc23)oc2c1/C(=N/Nc1ccc(F)cc1)CCC2 40823938 YRMJTCRFOLDSHZ-MWAVMZGNSA-N 428.467 5.680 30 10 IKEE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=S)Nc2ccccc2)CCC3)cc1 40825256 GRFAXEPMTWUYGC-ZXVVBBHZSA-N 432.549 5.176 30 10 IKEE C[C@H]1CCc2c(C#N)c(NC(=O)COc3ccccc3-c3ccccc3)sc(=S)c2C1 41016761 XOCZCOXBYNIQMC-INIZCTEOSA-N 446.597 6.159 30 10 IKEE Cn1cc(/C=C2\Oc3cc(OCc4ccc([N+](=O)[O-])cc4)ccc3C2=O)c2ccccc21 41501767 DGUNZPVCGBKVOQ-MSXFZWOLSA-N 426.428 5.282 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)CSc2n[nH]c(N/N=C(C)\C=C\c3ccccc3)n2)cc1 59023133 MGHIRDILGNCZOX-KOMZNBBTSA-N 448.596 5.550 30 10 IKEE CSc1nc2ccc(/N=C/c3ccc(-c4ccc(Br)cc4)o3)cc2s1 59392427 BASNHBZNMFCJLT-SRZZPIQSSA-N 429.364 6.791 30 10 IKEE COc1cc(/C=C2/S/C(=N\c3cccc(Cl)c3Cl)NC2=O)cc(Cl)c1O 59566838 RMSKLFRULTZDMJ-NTUHNPAUSA-N 429.712 5.253 30 10 IKEE COc1ccc(-c2nc(SC)nc(Nc3c(C)cc(C)cc3Cl)c2C#N)cc1OC 62039742 DHNMRMJFIJOIGI-UHFFFAOYSA-N 440.956 5.768 30 10 IKEE COc1cc(/C=C/C(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccc2)ccc1OCC#N 72001758 DPZVORPXVBAIDW-HTDGKCJNSA-N 446.934 5.364 30 10 IKEE CC[C@H](C)C[C@H](C)C[C@@H](C)C[C@@H](C)CCCCCCCCC1=C(C)C(=O)C=C(OC)C1=O 86029729 KHHZVKWVVWMRKC-ZJZGAYNASA-N 446.716 8.231 30 10 IKEE biogenic C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3cc(Cl)c(O)c(OCC)c3)c12 96925853 UIVYHMNIJIOCNH-KHPPLWFESA-N 435.911 5.437 30 10 IKEE CCCCCCCCn1c([C@H](C)NC(=O)COc2ccc(Cl)cc2)nc2ccccc21 102128817 XPDBXBFPMROGNT-IBGZPJMESA-N 442.003 6.306 30 10 IKEE C=CCn1c(C(=O)NC[C@@H](c2ccc(OC)cc2)N(C)C)c(C)c2cc(C(C)C)ccc21 169860634 ZWUWYLRZORUDAG-VWLOTQADSA-N 433.596 5.300 30 10 IKEE CCOc1ccccc1-c1nnc(S)n1/N=C\c1ccc(OCc2ccccc2)cc1 169912195 IUYYYASDFMHQSJ-XYGWBWBKSA-N 430.533 5.094 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2Cc2cccs2)cc1 169921150 QOOUQXVXPJDADF-JOCHJYFZSA-N 444.512 5.017 30 10 IKEE COc1cccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccccc2C)c1 169937229 VVVSKZCEIQLRTA-RUZDIDTESA-N 427.500 5.106 30 10 IKEE COc1cccc(/C=N\Nc2nc(-c3ccc(F)cc3)cs2)c1OCc1cccc(C)c1 169940227 QJQMGHJGIQYCRO-VYYCAZPPSA-N 447.535 6.291 30 10 IKEE CCCOc1c(OCC)cc(/C=N\Nc2nc(-c3ccccc3)c(C)s2)cc1[N+](=O)[O-] 169941280 GRTWPCVMMSOZSN-UCQKPKSFSA-N 440.525 5.660 30 10 IKEE CCCCCCCCCOc1ccc(C[C@H]2CN(CC)CC[C@@H]2O)cc1Br 169941323 MOETUNROMRYCEF-UNMCSNQZSA-N 440.466 5.824 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccc(O)cc2)c(C)c1 169963110 FRPANPMIWLVYGN-AREMUKBSSA-N 449.506 5.945 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2cccc(C)c2)cc1 169966060 WZRMONGQYFXJCC-XMMPIXPASA-N 427.500 5.349 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)C)cc2)ccc1F 170067123 BMUFIJDINNSEJO-QHCPKHFHSA-N 433.479 5.629 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(C)o2)cc1 170101288 SQVCMKOVXMHOGO-HSZRJFAPSA-N 447.487 5.087 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2sccc2C)cc1C 170106261 WBRXEEQTANSNST-FQEVSTJZSA-N 437.948 6.110 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C2CCCCC2)c1 170119237 XOAKOMQJUIDADP-VWLOTQADSA-N 445.559 5.485 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2cccc(C)c2)c1 170140061 HDVUSBYJKIJZDM-XMMPIXPASA-N 445.490 5.706 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@@H]1c1ccc(C(C)(C)C)cc1 170149971 TVPJPPMLIUNNLE-NRFANRHFSA-N 441.955 5.634 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2cccs2)c1 170153952 YWBLOGAKGBSXLK-JOCHJYFZSA-N 449.528 5.327 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2cccs2)cc1C 170157459 GJBZUEKUKOHLEP-JOCHJYFZSA-N 449.528 5.334 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(Cl)ccc3OC)[C@@H]2c2ccccn2)cc1 170170750 YKLXVOWWIJRVJL-QFIPXVFZSA-N 448.906 5.089 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccccc1)c1cccc2ccccc12 170226532 ZOQJOGIQYYUPED-DEOSSOPVSA-N 439.898 6.276 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1ccc(F)cc1 170242627 ZHMUHZTVILNCOL-QFIPXVFZSA-N 439.527 5.046 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2cccc(O)c2)cc1 170259577 HFGYGIPVEVXGDY-DEOSSOPVSA-N 443.499 5.271 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc(O)c1 170259866 ULRLURJTHFXKTO-RUZDIDTESA-N 435.479 5.637 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@@H]2c2ccco2)ccc1F 170287292 CESAJUZJAUBTCG-HSZRJFAPSA-N 427.431 5.663 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccc(C)o2)cc1Cl 170305482 MKTQFRPQLSSPCL-NRFANRHFSA-N 437.879 5.341 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1Cc1cccs1 170312545 RKUVXAGVZSGRJV-OAQYLSRUSA-N 449.597 5.775 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc(Cl)c(Cl)c2)=C(O)C(=O)N1C1CCCC1 170319653 GRDJDEJCOWZPFP-QGZVFWFLSA-N 436.360 5.884 30 10 IKEE CC(C)Oc1ccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(N(C)C)cc2)cc1 170472807 DLPBCGLXTHPFDD-QFIPXVFZSA-N 436.552 5.055 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@H]2c2cccc(OC(C)C)c2)c1 170474753 BMJLSAVFCVSOSC-XMMPIXPASA-N 437.536 5.388 30 10 IKEE C=CCn1c(SCCC(=O)NCc2ccccc2)nnc1-c1ccc2ccccc2c1 253570753 OAPOGACFFDAYQQ-UHFFFAOYSA-N 428.561 5.083 30 10 IKEE Cc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1ccc(Cl)c(Cl)c1 526806290 YYAXJIHTVPSKIB-MSXFZWOLSA-N 433.408 6.365 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccc(C)o2)c(C)c1 526811877 BMLLCFVTCIBSBN-QQXSKIMKSA-N 430.577 5.756 30 10 IKEE CCCCCCCCCCCC[C@H](O)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 696345294 MRYPGWKWTPQYTC-VWLOTQADSA-N 433.677 7.486 30 10 IKEE CC(C)CN1CCC(C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Br)CC1 698455499 KKEBUXGWUHQAIF-UHFFFAOYSA-N 436.394 5.205 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)CN(C(=O)OC(C)(C)C)C(C)(C)C)c1 698470198 IODBWCWGTMIQBW-LJQANCHMSA-N 431.577 5.664 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698858044 VPYAVNIDKOHNRX-NBGIEHNGSA-N 449.636 6.018 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@@H](C#N)c1cccc(F)c1Br 698982599 WEIVUVYJEOIXCG-INIZCTEOSA-N 439.712 6.248 30 10 IKEE CC(=NO[C@H](c1ccc(/C=C\c2ccc3ccccc3n2)cc1)C1CCCCC1)C(=O)O 725398764 NEANPAYVJXQOKF-QDNCAXOCSA-N 428.532 6.504 30 10 IKEE COc1ccc(CSc2n[nH]c(NN=Cc3c4ccccc4cc4ccccc34)n2)cc1 1084505970 ZSJNWPIBSITTOQ-UHFFFAOYSA-N 439.544 5.858 30 10 IKEE N#Cc1cc(Br)ccc1CSc1nc(O)c2c3c(sc2n1)CCCC3 1613096445 BTYWEYKFDQFUCG-UHFFFAOYSA-N 432.368 5.202 30 10 IKEE O=C1/C(=C\C=C\c2ccccc2)S/C(=N/N=C/c2ccc(O)cc2)N1Cc1ccco1 1615300564 HXFADCGQJDCLMI-MUKJVSISSA-N 429.501 5.048 30 10 IKEE CCCCCCCCCCn1ccc(=O)c(OCCCOc2ccc(N)cc2)c1CC 1857913374 FZEODMAAIDLBKB-UHFFFAOYSA-N 428.617 5.982 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc3c(OC(=O)Nc4cc(Cl)ccn4)cccc23)c1 1858779929 GNALLSHEDYVPGD-UHFFFAOYSA-N 442.862 5.623 30 10 IKEE CCCCOC(=O)c1cccc(NC(=O)Nc2ncccc2OCc2ccc(C#N)cc2)c1 1858866203 QALLHIIQWRDUCU-UHFFFAOYSA-N 444.491 5.133 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)c1c(C)ccc2ccccc12)[C@H](C)CC 1860989776 IRUGZVWPIMOCEI-QFQXNSOFSA-N 438.656 6.550 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(OCc2ccccc2)cc1 1862440295 LGZOHAXICMSICR-QHCPKHFHSA-N 447.918 5.517 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1 1862442381 RQTSQJKRPUVBQS-NRFANRHFSA-N 427.928 5.125 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1c(Cl)cccc1Cl 1862443518 MLNAXCQURWTLAP-VOJFVSQTSA-N 438.738 6.024 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(Br)c1 1862453194 UHTJOGSSJOSLKE-KRWDZBQOSA-N 434.717 5.089 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccc(O)cc1)c1c(F)cc(F)cc1F 1862457227 LJZOWALNDMHQAH-OAQYLSRUSA-N 445.437 5.111 30 10 IKEE COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCCCC2)ccc1O 1862480523 IOXOBHYFUUWIQA-QHCPKHFHSA-N 435.520 5.010 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862488933 LTHGWUBCZXTJNZ-FQRUVTKNSA-N 439.555 6.205 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc3ccccc23)c1 1862495376 XUFQSGGNNCJMMR-AREMUKBSSA-N 439.555 6.368 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2cccc(Cl)c2)cc1 1862535195 BPZRFEVHODJUGE-YTJPUZGESA-N 437.967 6.059 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccc(Cl)cc2)c1 1862588950 ANFKCXQCNWVBCL-JOCHJYFZSA-N 433.891 5.133 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1cccc(OC)c1 1862591680 LZVGNBNHCXMKIV-AUSIDOKSSA-N 437.536 5.338 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(Cl)c(Cl)c1 1862633156 GZEXDZNBPLRWMO-IBGZPJMESA-N 448.302 5.101 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(C(C)C)cc2)=C(O)C(=O)N1Cc1ccccn1 1862660520 NJCDDQSLOVSWAC-DEOSSOPVSA-N 426.516 5.292 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc2c(c1)CCCN2C 1862667530 DMSWCQOTGHONKJ-CJAUYULYSA-N 446.591 5.569 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccc(F)cc2F)cc1 1862690724 CLFNZCKFXUEYCF-NPMXOYFQSA-N 449.453 5.313 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2ccccc2C)c1 1862699798 YXKBZZVLORWTAA-RUZDIDTESA-N 441.527 5.399 30 10 IKEE Cc1ccc(NC2=C(c3ccc(F)cc3F)C(=O)N(c3cccc(C#N)c3)C2=O)cc1Cl 1862946191 BEAQRFAHLFWAIP-UHFFFAOYSA-N 449.844 5.195 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)cc2)=C(c2ccc(Cl)cc2)C1=O 1863166935 VIZNQMIPWOZERS-UHFFFAOYSA-N 428.935 6.032 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(OC)c(Cl)c2)=C(c2cccs2)C1=O 1863470726 RCLYONUZSGIUOK-UHFFFAOYSA-N 447.000 5.963 30 10 IKEE N#Cc1cccc(C(=O)N(c2ccc(F)c(Cl)c2)C2CCN(Cc3ccccc3)CC2)c1 1865845335 DLCMTHBLHIHNOI-UHFFFAOYSA-N 447.941 5.662 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](CCCC)NC(=O)c1ccc(-c2cc3ccccc3[nH]2)cc1 1868911674 HVJRVKOORMFODF-XMMPIXPASA-N 429.564 5.324 30 10 IKEE CCCCc1ccc(-n2nnc(C#N)c2NC(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)cc1 1870145775 ONHIAJMUOYXDAV-GOSISDBHSA-N 431.540 5.011 30 10 IKEE CC(C)(C)c1ccc(C(=O)Nc2c(C#N)nnn2-c2ccc(Oc3ccccc3)cc2)cc1 1870158276 YNVDYOBWPNFULN-UHFFFAOYSA-N 437.503 5.481 30 10 IKEE CCCCc1ccc(-n2nnc(C#N)c2NC(=O)CCCOc2ccccc2C(C)C)cc1 1870162048 JJHFUTWGQRNOJL-UHFFFAOYSA-N 445.567 5.403 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(O)cc2)c(CSc2ccccc2)cc1=O 1870259693 DAFYVAAFTFXIGB-UHFFFAOYSA-N 437.605 6.244 30 10 IKEE CCCCCCCOc1cn(CCCCCCO)c(CSc2ccccn2)cc1=O 1870259981 RYCSEQXWVXJCOL-UHFFFAOYSA-N 432.630 5.438 30 10 IKEE CCCCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CN(CCO)CCCC 1870612223 ROJLRADOEMUHKP-UHFFFAOYSA-N 448.692 5.928 30 10 IKEE C=CCOc1cn(Cc2ccccc2Cl)c(CNc2ccc(C)c(Cl)c2)cc1=O 1870810341 YFUQYWGTAIYRJZ-UHFFFAOYSA-N 429.347 5.689 30 10 IKEE CCCCCCCOc1cn(CCCOCC)c(CNc2ccc(C)cc2C)cc1=O 1870830205 HRZRYEZLCVERSK-UHFFFAOYSA-N 428.617 5.853 30 10 IKEE CCCCCCCCCCn1cc(OCCCO)c(=O)cc1CNc1ccc(OC)cc1 1871264937 BRLWRXLDDPOPQR-UHFFFAOYSA-N 444.616 5.371 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1 1871370136 QYFCIIPULONONO-MYYYXRDXSA-N 442.511 6.027 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2C)C3=O)cc1 1871387735 MIKANFVUJCGRBQ-JLPGSUDCSA-N 428.484 5.928 30 10 IKEE Cc1c(OCCOc2ccccc2F)ccc2c1O/C(=C\c1ccc(N(C)C)cc1)C2=O 1871417425 UEGJXKZCJDVOQU-JLPGSUDCSA-N 433.479 5.274 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C)cc4C)cc(C)c3C2=O)c1 1871418796 NVLLQHZMEXBAJL-CFRMEGHHSA-N 427.500 5.554 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OCC(=O)N[C@H](C)c3ccccc3)cc(C)c2C1=O 1871421864 PEFRXHVDAAFUSR-OJSPLJLUSA-N 433.529 5.237 30 10 IKEE Cc1c(OCC(=O)Nc2cccc(Cl)c2Cl)ccc2c1O/C(=C\c1ccco1)C2=O 1871458287 UIAMVQRTYMTODH-ZDLGFXPLSA-N 444.270 5.529 30 10 IKEE Cc1ccc2oc(=O)cc(COc3cc(C)c4c(c3)O/C(=C\c3ccc(C)o3)C4=O)c2c1 1871460750 CSNYBOKTOQLJMK-KSEXSDGBSA-N 428.440 5.506 30 10 IKEE C=CCN=c1nc(Nc2ccc(OCc3ccccc3)cc2)[nH]c(N(CCC)CCCC)n1 1871636180 UYBBZAACJVHTAH-UHFFFAOYSA-N 446.599 5.231 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1872027099 ZJQYGXXRMIRDDH-CVDCTZTESA-N 442.625 5.214 30 10 IKEE C=CCN([C@H](C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)[C@@H](C)CC)S(=O)(=O)C1CC1 1872339504 RRWAFZRGKROXIT-MBSDFSHPSA-N 434.646 5.267 30 10 IKEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccccc1CC)S(=O)(=O)c1cc(C)ccc1C 1872474872 VEGWZAWGLLBDDQ-HSZRJFAPSA-N 442.625 5.096 30 10 IKEE N#C[C@H](C(=O)CCCOc1ccc2ccccc2c1)c1nc(-c2ccccc2Cl)cs1 1872764299 JMKCHYPPHPWDAU-OAQYLSRUSA-N 446.959 6.652 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)COc2ccc(C)c(C)c2)n1 1872777870 YAQZIOAODZBLEX-OAQYLSRUSA-N 448.588 5.988 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(C)cc2)C(=O)N([C@H]2CCCC[C@H]2C)C1=O 1873143322 IGYKXJZIEWHDHI-VWNXMTODSA-N 438.656 6.384 30 10 IKEE CCCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccccc1C 1874213786 FWILJHAEFBZOBS-LFVJCYFKSA-N 428.989 5.636 30 10 IKEE CCCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccccc1OC 1874217642 FQLURCCWBNTZAF-ZMOGYAJESA-N 444.988 5.520 30 10 IKEE CCCSc1nnc(COc2ccccc2OCC)n1/N=C/c1cccc(Cl)c1 1874243281 WXTGBAULNYAQIP-OEAKJJBVSA-N 430.961 5.294 30 10 IKEE Clc1ccc(CSc2nnc(Cc3ccc(Cl)cc3)n2/N=C/c2ccc[nH]2)cc1 1874343552 WUUKYJBUJUYVFY-DHRITJCHSA-N 442.375 5.678 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3cccs3)n2/N=C/c2cccs2)c1 1874371507 CQIHPPPQSRTQBY-OEAKJJBVSA-N 438.647 5.978 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccccc3)nnc2[C@@H](C)c2ccccc2)cc1 1874395930 YPKFOFZHUXLWLB-OJWZXOLNSA-N 428.561 5.613 30 10 IKEE C=C(C)CSc1nnc(CC(C)(C)C)n1/N=C/c1cc(Br)ccc1F 1874438394 CUMJGFOTTQINBQ-UFFVCSGVSA-N 425.371 5.319 30 10 IKEE CN(C)c1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2[C@@H]2CCCO2)cc1 1874445726 JMHZPLSDVYFQCZ-PGLVWIQMSA-N 441.988 5.024 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2-c2ccco2)c1 1874467052 PLLKZSNPBKFHCM-WGOQTCKBSA-N 446.576 6.118 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)C)n2/N=C/c2ccc(Cl)c(Cl)c2)c1 1874489944 SMQGKBVALCWHKB-BRJLIKDPSA-N 447.435 6.575 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(C3CCC3)n2/N=C/c2ccc(CC)cc2)o1 1874495596 UNUUPOIFRPSCOC-ZVHZXABRSA-N 438.553 5.052 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2c[nH]c3ccccc23)c(C)c1 1874515279 UGAJPKARBPWAQI-LGJNPRDNSA-N 446.580 5.113 30 10 IKEE COC(=O)c1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C(C)C)cc1 1874515906 VWMAHEPOMZHCSK-FSJBWODESA-N 428.945 5.016 30 10 IKEE CCCCCOc1ccc(/C=N/n2cnnc2SCc2ccc(Cl)c(Cl)c2)cc1 1874540049 FZSFCLURNVYQKH-DHRITJCHSA-N 449.407 6.328 30 10 IKEE CCOC(=O)c1ccc(COc2c(/C=C/C(=O)c3ccc(Cl)cc3)cccc2OC)o1 1874578619 YAOZOZSLIKQNIM-UKTHLTGXSA-N 440.879 5.593 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(F)cc2)c1OCC(=O)Nc1c(C)cccc1C 1874584482 QBOCSGACEQVBBP-NTCAYCPXSA-N 433.479 5.365 30 10 IKEE COc1cc(Br)cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)c1OC 1874589042 PUELNGVBWCTKHK-AATRIKPKSA-N 425.706 5.333 30 10 IKEE CCc1ccccc1NC(=O)COc1ccccc1/C=C/C(=O)c1c(C)cc(C)cc1C 1874590086 RYWCKVGTWNHCFA-CCEZHUSRSA-N 427.544 6.088 30 10 IKEE Cc1ccc(NC(=O)COc2cccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1C 1874594500 NLLRWUACPDTXNX-NTUHNPAUSA-N 430.460 5.125 30 10 IKEE O=C(/C=C/c1cccc(OCc2cccc(Cl)c2)c1)c1ccc(Oc2ccccc2)cc1 1874598527 QEUXBZRYOXQBBK-SFQUDFHCSA-N 440.926 7.607 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)cc1OC 1874603200 PBFFNDLLBCMPDF-UKTHLTGXSA-N 445.515 5.234 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OCc1ccccc1Cl 1874613476 WIZRFDCDGRSUQK-ZRDIBKRKSA-N 427.327 6.867 30 10 IKEE C=CCOc1c(Cl)cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1OCC 1874628299 WMXOOJKRAIHXNS-XNTDXEJSSA-N 434.919 6.992 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OCc1ccc(Cl)cc1 1874630504 FVDGTODCZUEOEO-YRNVUSSQSA-N 436.935 6.449 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccccc2[N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 1874693641 PJUNYTSOAYFRLU-NTCAYCPXSA-N 427.456 5.589 30 10 IKEE COc1ccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c(OC)c3)c2)cc1 1874693986 GWCQBIQMMMIVTF-NTEUORMPSA-N 446.499 5.147 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(N(C)C)cc3)c2)cc1 1874694130 MVLBCFYLMUMRLK-LZYBPNLTSA-N 429.516 5.439 30 10 IKEE O=C(Cc1ccccc1F)Oc1cccc(/C=C/C(=O)c2ccc(Br)cc2)c1 1874696707 CTYILDQAWAVSBH-MDWZMJQESA-N 439.280 5.632 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2cccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)c2)c1 1874710617 GBTGDSXFAVHMJH-ZHACJKMWSA-N 444.527 6.053 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc1OC(=O)c1ccncc1 1874714754 MGQRUFPCTFLCAE-GQCTYLIASA-N 437.879 5.176 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(Cl)c(Cl)c2)CSc2nncn21 1874811384 FDYSEDMBKJUOAW-QGZVFWFLSA-N 427.401 5.647 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1OCC 1875098003 NTFBWPALQJDHCX-GHRIWEEISA-N 434.576 6.736 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3sccc3C)c(OC)c2)cc1OC 1875103643 IQUOLLQQGOXNEK-VMPITWQZSA-N 438.501 5.198 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cnccn2)c(Br)c1)c1ccc(Cl)cc1 1875126270 XZQVODOGYSZABU-LREOWRDNSA-N 443.684 5.008 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)c1cc(Cl)ccc1OC 1875136847 ZIWLDDFEXBMBMA-IZZDOVSWSA-N 436.891 5.781 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)c1cccnc1 1875141908 BSCURDDTJLRPTK-RMKNXTFCSA-N 439.870 5.697 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OC(=O)c1ccccc1F 1875156048 IKMCCBFXAFJJLP-FYWRMAATSA-N 426.443 6.103 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)COCc1ccccc1 1875156634 DWSNJHZHUWUDKY-OQLLNIDSSA-N 444.527 5.837 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3c(C)cc(C)cc3C)cc2OC)cc1 1875184810 RFVSBZXRHQXFNS-WUXMJOGZSA-N 430.500 5.744 30 10 IKEE C=CCN(CC=C)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)s1 1890144602 JVVRAGYHUQBNCK-UHFFFAOYSA-N 428.355 5.178 30 10 IKEE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCC#N)C(C)(C)CC 1901533866 CWAJOKDHRQZKMR-XMMPIXPASA-N 447.579 5.235 30 10 IKEE C=C(COCc1ccccc1)[C@@H](O)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 1922067609 CNNKZNOESZLAMZ-DEOSSOPVSA-N 425.569 5.338 30 10 IKEE C=C(COCc1ccccc1)[C@H](NC)c1cccn1C1CCN(C(=O)OC(C)(C)C)CC1 1922125264 MFHCTZMSZGSCID-DEOSSOPVSA-N 439.600 5.094 30 10 IKEE CCOC(=O)N1CCN(C2=C(C=Nc3ccccc3)CCC2=CNc2ccccc2)CC1 1933288712 LJJCVHFNCVEXHX-UHFFFAOYSA-N 430.552 5.207 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 1944568195 YQIQFZJWMVYLNB-UUOWRZLLSA-N 429.561 5.405 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]2CCCCN2C(=O)OC(C)(C)C)cc1 1944735901 IIPPSPLHGMUWNA-VQTJNVASSA-N 429.561 5.418 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1[C@@](C#N)(N(C(=O)OC(C)(C)C)c1ccccc1Cl)C2 1950067238 DRXDVHBOQGSMLQ-TUVUNVSASA-N 447.963 5.373 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CN(C(=O)OC(C)(C)C)CC[C@@H]2C)c1 1999937469 BHXUYMSLSHTADI-UUOWRZLLSA-N 429.561 5.276 30 10 IKEE CC(C)(C)[C@H](C#N)CNc1cc(Br)c(Br)c(Br)c1 2034336172 XGOYSTBFKAAPRZ-MRVPVSSYSA-N 438.989 5.572 30 10 IKEE CCN[C@]1(C#N)C[C@@H](CC)C[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)C1 2055024752 BDIMGQIMPMCLKS-HNPKZYAISA-N 432.656 5.071 30 10 IKEE CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2067959395 RKPVJHJXWHMHFS-NBGIEHNGSA-N 449.636 5.874 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCN(C(=O)OC(C)(C)C)C23CC3)c1 2070830233 SAWJCDLNUYXWKQ-VWLOTQADSA-N 441.572 5.562 30 10 IKEE O=C(C1=CCCCO1)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071356723 PUHCHEQQULBAJA-SANMLTNESA-N 430.500 5.141 30 10 IKEE Fc1ccc(Cn2nc(Cl)c(Br)c2C(F)(F)F)cc1C(F)(F)F 2079213263 BCFBNXODIVJPML-UHFFFAOYSA-N 425.529 5.524 30 10 IKEE COC(=O)c1c(C(F)(F)F)nn2c(Cl)cc(-c3cc(C(F)(F)F)ccc3F)nc12 2081275681 MUEYXXUTZVKAJG-UHFFFAOYSA-N 441.690 5.013 30 10 IKEE C=CCCCCCC[C@@H](NCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2085854615 QVVQABBTWUKNJC-SQHAQQRYSA-N 443.676 5.661 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H](CNc2ccc(Br)cc2C#N)C1 2162334375 PRMUTDXVVLYPRW-MRXNPFEDSA-N 434.378 5.160 30 10 IKEE N#Cc1c(Br)cccc1N1CCCCN(Cc2ccccc2)CC(F)(F)C1 2164877224 UAZJTQYHLRABBQ-UHFFFAOYSA-N 434.328 5.058 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)C1(C#N)C[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1 2174477907 NXOHLTDDYANGKV-DTTOXWODSA-N 433.346 5.040 30 10 IKEE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@H](CNc2ccc(C#N)c(Br)c2)CC1 2178646536 QZKVCJOLVMMLSK-OYOVHJISSA-N 440.357 5.156 30 10 IKEE Cc1cccc(C(=O)Nc2ccc(Br)c(C#N)c2)c1NC(=O)OC(C)(C)C 2180990375 WRSDJHLAMTVDAD-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE Cc1sc([C@@H](C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)c(Br)c1C 2215902852 SJJOJYYPFUGUDE-SNVBAGLBSA-N 427.286 5.492 30 10 IKEE Cc1ccc(Br)c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)c1 2228069570 JUYPAOARWJRPOG-GOSISDBHSA-N 435.749 6.417 30 10 IKEE CCC1CCC(NC(=O)OC(C)(C)C)([C@H](O)C#Cc2ccccc2Br)CC1 2235727626 GKZFDGRRXUSXAW-COFLGROHSA-N 436.390 5.025 30 10 IKEE COc1ccc(C#C[C@H](N)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1 2237754588 UNJWKDALEXBKRG-NDEPHWFRSA-N 449.550 5.905 30 10 IKEE CCCCCCCCCCCCOc1nc(Br)c(Br)s1 2239559896 VSBGVZLWRRTRJU-UHFFFAOYSA-N 427.246 6.968 30 10 IKEE CCCN[C@H](C#CC1CCCCC1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2251402474 XHIYMUDMJAAAIP-VWLOTQADSA-N 426.645 6.156 30 10 IKEE CC1(NC(=O)OCc2ccccc2)CCC(C#N)(Nc2cccc(Br)c2)CC1 2258956532 YKXBQTMCLPMNES-UHFFFAOYSA-N 442.357 5.382 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cccc(Cl)c1Br 2259408588 QVZLBXNNJSJILF-NVXWUHKLSA-N 429.786 5.060 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@@H](C#N)c1sc(Cl)cc1Br 2259914389 MRMVMTCDOGRLEB-ZDUSSCGKSA-N 445.741 6.309 30 10 IKEE C=CCCC1([C@H](O)c2ccc(Br)c(Cl)c2F)CN(C(=O)OC(C)(C)C)C1 2266316843 BOAQTQYMAWZUPK-MRXNPFEDSA-N 448.760 5.478 30 10 IKEE C[C@H](N(Cc1ccccc1)C(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2267451660 UPOWPIZDGBVFOC-SFHVURJKSA-N 439.380 5.202 30 10 IKEE Cc1ccc(C(=O)N(Cc2ccccc2)Cc2cccs2)c(B2OC(C)(C)C(C)(C)O2)c1 2267600603 JEXIWVJJUNDPQY-UHFFFAOYSA-N 447.409 5.198 30 10 IKEE N#Cc1cc(Br)ccc1COc1cc(I)ccc1Cl 2272662438 XWTYLQNLWKUXLC-UHFFFAOYSA-N 448.485 5.158 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCCC)c2cc(OC)c(Br)s2)C1 2278367090 XDIDTLAQJYBAMX-OAHLLOKOSA-N 445.423 5.173 30 10 IKEE CCCC[C@H](NC(=O)OC(C)(C)C)[C@H](C#Cc1cccc(Br)c1)NCCC 2296219945 SXFFNFDVXVGLAI-PMACEKPBSA-N 437.422 5.252 30 10 IKEE CCC[C@]1(C(=O)C#Cc2ccc(Br)cc2)CCCN(C(=O)OC(C)(C)C)C1 2296227051 LOTFVOLIJWEQHY-QFIPXVFZSA-N 434.374 5.187 30 10 IKEE Cc1ccc(C)c(N=Cc2ccccc2OC(=O)C=Cc2ccc(Br)cc2)c1 2296654019 UKPOBPHTUNYDDH-UHFFFAOYSA-N 434.333 6.435 30 10 IKEE C=C(C)CN(Cc1ccccc1)[C@](C)(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)O 2306616774 HUAPKYQCHKIWKM-SQJMNOBHSA-N 430.589 5.088 30 10 IKEE Cc1cc(OCc2c(F)cccc2Cl)cc2c1C(=O)C(=Cc1ccc(Cl)cc1)O2 2321802320 FVXMLXKHGSRRLP-UHFFFAOYSA-N 429.274 6.636 30 10 IKEE COc1ccc(C=C2Oc3c(ccc4c3CN(CCc3ccc(Cl)cc3)CO4)C2=O)cc1 2321927974 BJJFXTKUJIFEBG-UHFFFAOYSA-N 447.918 5.359 30 10 IKEE CCCCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(Cl)cc1Cl)C3=O 2322083216 LCDQKULJFRIDLS-UHFFFAOYSA-N 446.374 6.650 30 10 IKEE CCCCC1CCC(c2nnc(S)n2N=Cc2ccc(OCC)c(OCC)c2)CC1 2322106829 ZXIBQVVXNNPAQZ-UHFFFAOYSA-N 430.618 5.710 30 10 IKEE CCc1ccc([C@@H](C)N2COc3ccc4c(c3C2)OC(=Cc2ccc(OC)cc2)C4=O)cc1 2322259903 CUPRBEXYJJIDHM-GOSISDBHSA-N 441.527 5.787 30 10 IKEE CCc1ccc([C@H](C)N2COc3ccc4c(c3C2)OC(=CC=Cc2ccccc2)C4=O)cc1 2322260177 NYAFDENCJFPZRA-FQEVSTJZSA-N 437.539 6.335 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1cccc([N+](=O)[O-])c1)C3=O)CN(CCC1=CCCCC1)CO2 2322377309 ALXGPFFRRRRLQQ-UHFFFAOYSA-N 446.503 5.562 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2c(Cl)cccc2Cl)cc1 2322456937 XMGQAPCHMXQUDA-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE CCCOC(=O)COc1ccc2ccccc2c1C=CC(=O)c1cc(Cl)ccc1Cl 2322999263 SANIOTACLVYJFF-UHFFFAOYSA-N 443.326 6.375 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(OC(=O)CCc3ccc(Cl)cc3)c2C)C1=O 2323114460 GYEDDJYFDDQJSX-UHFFFAOYSA-N 438.932 6.173 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1OCC(=O)Nc1ccc(C)cc1 2323230720 ZEKQOXFHANNGPB-UHFFFAOYSA-N 437.442 5.195 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 2323370521 PFEOBRYHBNKGPK-UHFFFAOYSA-N 430.460 5.125 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1 2323627338 NFRVEPINOTXGPY-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)C=Cc1ccc(OCC)cc1 2323831275 OHNCVWJDFGMATO-SANMLTNESA-N 430.633 5.640 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OCc3cc(C)ccc3C)c(Cl)c2)c1 2324017347 CXNLVJRAKJFDEH-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cc(C)cc(C)c3)cc2)c(C)c1C 2324295042 ROZWFBMKTOSLJS-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE Cc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1C)OC(=Cc1ccccc1F)C2=O 2324412624 CJWSRFWABFPDRE-KRWDZBQOSA-N 431.463 5.465 30 10 IKEE Cc1c(OCC(=O)NC2CCCCC2)ccc2c1OC(=Cc1ccc(Cl)cc1)C2=O 2325327233 IDPYMTRNCBIEDG-UHFFFAOYSA-N 425.912 5.092 30 10 IKEE O=C(Cc1ccccc1F)Oc1cccc(C=CC(=O)c2ccc(Cl)cc2Cl)c1 2325709053 SBENUDOGYFFYOS-UHFFFAOYSA-N 429.274 6.177 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2cn(C)c4ccccc24)C3=O)cc1 2325715465 XFFNYUFICQANOK-UHFFFAOYSA-N 438.483 5.120 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4cccc(Cl)c4)cc(C)c3C2=O)cc1 2325717525 CQDWKZOGEVFJPI-UHFFFAOYSA-N 447.918 5.845 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OC(=O)CCc1ccccc1C 2325740093 TWHMDAKVOPFNSB-UHFFFAOYSA-N 428.528 6.055 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OC(=O)c2c(OC)cccc2OC)c1 2325743359 ZHUTXUVJDMWMFT-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE CCN(CC)C(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2325743434 SSZBVPQTXIJDOE-UHFFFAOYSA-N 434.319 5.165 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1OC(=O)Cc1ccccc1F 2325745783 NAVZPBTXURDPLZ-UHFFFAOYSA-N 446.518 6.176 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(F)c(F)c3F)c2)cc1F 2325748621 IVZMNMLRQGERSM-UHFFFAOYSA-N 430.353 5.367 30 10 IKEE COc1cc(C(=O)C=Cc2cccc(OC(=O)Cc3cccs3)c2)c(OC)cc1Cl 2325758868 HLDBTASRGLYHBG-UHFFFAOYSA-N 442.920 5.463 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(OC)cc2)n1N=Cc1ccc(CC)cc1 2326269384 LJCJEWSTJVLWOS-UHFFFAOYSA-N 436.581 5.021 30 10 IKEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C12CCCC2 2326274995 PIVLZSHPRRKLLP-AREMUKBSSA-N 442.600 5.232 30 10 IKEE CCc1ccc(OCCCc2nnc(SC)n2N=Cc2ccc(Cl)c(Cl)c2)cc1 2326295239 BSHKIAUKIRVULG-UHFFFAOYSA-N 449.407 5.763 30 10 IKEE Cc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1ccc(Cl)c(Cl)c1 2326323894 YYAXJIHTVPSKIB-UHFFFAOYSA-N 433.408 6.365 30 10 IKEE CCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1cccc(OCC(C)C)c1 2326468038 FYLSGLLKFJXRNT-UHFFFAOYSA-N 428.989 5.703 30 10 IKEE CCOc1ccc2ccccc2c1C=Nn1c(CC)nnc1SCc1ccc(C#N)cc1 2326667248 DZDPTOAPGCJCMB-UHFFFAOYSA-N 441.560 5.439 30 10 IKEE CCSc1nnc(COc2cc(F)ccc2F)n1N=Cc1ccc(C(C)(C)C)cc1 2327458033 YURAKFPNCFUVMW-UHFFFAOYSA-N 430.524 5.427 30 10 IKEE C=C(C)CSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccccc1[N+](=O)[O-] 2327745668 HHEUKSFARBIPLK-UHFFFAOYSA-N 443.532 5.481 30 10 IKEE CC(C)c1ccc(C=CC(=O)[C@H]2C[C@H](NC(=O)c3cc(Cl)cc(Cl)c3)CCN2)cc1 2328343788 WVJBCMQAAJWWQD-FGZHOGPDSA-N 445.390 5.250 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2cccnc2)c(C)c1 2328897917 WVAPCHKTSMWPRN-UHFFFAOYSA-N 429.549 5.043 30 10 IKEE O=C(C=Cc1cccc(OCc2ccccc2)c1)ON=C1CCN(Cc2ccccc2)C1 2329923743 IARGZBOLZZICJB-UHFFFAOYSA-N 426.516 5.084 30 10 IKEE CCOc1ccc(C=Nn2c(Cc3ccc(C)cc3)nnc2SCc2ccccc2)cc1 2329992674 WWTSUDPZANEKIM-UHFFFAOYSA-N 442.588 5.751 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1ccccc1F 2330671237 NIHQEWAFFCBCGQ-UHFFFAOYSA-N 440.470 6.493 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc(C)cc(C)c3)c(OC)c2)cc1OC 2330736184 NYVOCAAHKMEEMI-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-])c1ccccc1 2330810512 JHLZXBBMEFLYAO-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1cccnc1 2330874377 DLWGFRIKMWGDQU-UHFFFAOYSA-N 434.396 5.743 30 10 IKEE CCc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2c(F)cccc2Cl)cc1 2330881339 YWCLKUVBRANUFE-UHFFFAOYSA-N 445.007 6.396 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2C2CCCC2)cc1 2331045486 YXIZPLIBNLTXDA-UHFFFAOYSA-N 448.636 6.598 30 10 IKEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)CCc1ccccc1 2331048455 IBRXWMGDAOTXSD-UHFFFAOYSA-N 431.444 5.038 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)c1cc2ccccc2n1C 2331182612 MAKYNWSMTHGAKP-UHFFFAOYSA-N 425.484 5.692 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)c3cccs3)c(Br)c2)c1 2331320445 OGYLCPHNMATHQS-UHFFFAOYSA-N 441.346 6.243 30 10 IKEE CCCCc1nnc(SCC)n1N=Cc1ccc(OCc2ccc(C)cc2)c(OC)c1 2331331673 BZILPHHMLKPKSP-UHFFFAOYSA-N 438.597 5.511 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)c3ccc4cc(Cl)ccc4n3)cc2)ccc1F 2331333065 SWCKQHQJEXYJAE-UHFFFAOYSA-N 445.877 6.451 30 10 IKEE CC(C)Cc1nnc(SCc2ccccc2)n1N=Cc1cccc(Br)c1 2331453878 UZZAKNCSGPBATL-UHFFFAOYSA-N 429.387 5.414 30 10 IKEE CC(C)Cc1nnc(SCCc2ccccc2)n1N=Cc1ccc(Cl)cc1Cl 2331457739 CMRIFQMAKJSKRA-UHFFFAOYSA-N 433.408 6.000 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1Cl 2331472218 AXTGHVFEAXCRJL-UHFFFAOYSA-N 444.889 6.677 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(F)c3)cc2[N+](=O)[O-])cc1C 2331562338 MTKDILPSFZPSCO-UHFFFAOYSA-N 437.398 5.605 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1ccc(F)cc1 2331565459 DDAQOSIIQIQIRL-UHFFFAOYSA-N 426.390 5.618 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)CCCSC)cc2)c1 2331674013 UZXLNSIOZXIFJL-UHFFFAOYSA-N 428.550 5.429 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)CC(C)C)c(OC)c2)c1 2331684705 KRKRRYSMKQRNSX-UHFFFAOYSA-N 426.509 5.340 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)c1ccccn1 2331762638 XRKNORAWDJYJBH-UHFFFAOYSA-N 435.907 5.784 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(Cl)c3)cc2)cc1Cl 2331818716 ATSROLDWYRQQDG-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE CC1(C)OB(/C=C/c2ccc(Nc3ccc(I)cc3)nc2)OC1(C)C 2339537048 SOJSJFOLANWDAB-VAWYXSNFSA-N 448.113 5.074 30 10 IKEE CC(C)[C@H](Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)[C@@H](C)NC(=O)OC(C)(C)C 2339578445 HDJFFCJJVHBGAZ-XLIONFOSSA-N 446.397 5.043 30 10 IKEE CC[C@H](Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)[C@@H](CC)NC(=O)OC(C)(C)C 2339597362 QEKKSUSBKXDKRO-MOPGFXCFSA-N 446.397 5.187 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)c1c(C)c(C)c(Br)c(C)c1C 2345947142 UMCDWQQQLXJCLZ-QFBILLFUSA-N 426.395 5.576 30 10 IKEE COc1ccc(CN2C(=O)/C(=C/c3ccc(SC)cc3)S/C2=N\c2ccccc2)cc1 13939744 BONVVIFJTJKCFX-JTUXUYRKSA-N 446.597 6.221 30 10 IKEE CC(C)c1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccccc4)nn32)cc1 17097182 TUPMRFYKVIUXDC-QHCPKHFHSA-N 430.577 5.716 30 10 IKEE O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@H](c1cccc3ccccc13)Nc1ccccc1N2 20885696 ONRXGPTXKMIGMC-OLILMLBXSA-N 434.514 6.958 30 10 IKEE O=C1/C(=C/c2ccc(Br)cc2)Oc2cc(OCc3cccc(Cl)c3)ccc21 33370463 NWFVTEQRVSZDKR-NHDPSOOVSA-N 441.708 6.298 30 10 IKEE CCCCN(C)Cc1c(O)ccc2c1O/C(=C/c1cc(Br)ccc1OC)C2=O 37857878 SNSAQKHQFIFODM-UDWIEESQSA-N 446.341 5.011 30 10 IKEE Cc1cc2oc(C(=O)c3c(C)c(C#N)c(=O)n(C4CCCCC4)c3O)c(C)c2cc1Cl 38618433 LTLPGNOZLUSPSL-UHFFFAOYSA-N 438.911 5.487 30 10 IKEE C[C@@H](Nc1oc(-c2ccc(OCc3ccc(Cl)cc3)cc2)nc1C#N)c1ccccc1 39841559 GKUXDJJPFRUFEF-QGZVFWFLSA-N 429.907 6.619 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccc(F)cc3)CO4)C2=O)cc1 41655051 NREVTHWHYLYQON-MXAYSNPKSA-N 429.491 5.917 30 10 IKEE C=CCn1c(CNc2cccc3ccccc23)nnc1SCc1nnc(C2CCC2)o1 59877787 MNKCIEHXCAPUAU-UHFFFAOYSA-N 432.553 5.172 30 10 IKEE Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C\c1ccnc2ccccc12 96134083 QYNPXBBHIZVBNV-KAMYIIQDSA-N 434.926 7.308 30 10 IKEE C[C@@H]1CSC(N(C(=O)/C=C\c2cn(CCC#N)c3ccccc23)c2ccc(Cl)cc2)=N1 96557699 HJXRDGQFLUOQQG-UUKWBXHYSA-N 448.979 5.746 30 10 IKEE CC1CCN(c2ccc(NC(=O)/C=C/C(=O)c3ccc(Br)cc3)cc2)CC1 96580348 RQDBUEVYSIWEJJ-ZHACJKMWSA-N 427.342 5.063 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)CNc1ccc(F)c(Cl)c1 100071960 DSHNHKDITUBPTF-UHFFFAOYSA-N 427.048 7.489 30 10 IKEE Cc1ccc(SC2=C/C(=N/S(=O)(=O)c3ccc(C)cc3)c3ccccc3C2=O)cc1 103746808 KDPFSKFPHBXNGJ-LVWGJNHUSA-N 433.554 5.354 30 10 IKEE Cc1ccc(C)c(/N=C2/S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2ccccc2)c1 106917274 BUQZDLRNSVBBNH-QPRJYHLLSA-N 443.597 6.482 30 10 IKEE COc1cc(/C=N\n2c(S)nnc2C2CCCCC2)ccc1OCc1ccc(C)cc1 169909971 RKVABINUFVOMKU-MYYYXRDXSA-N 436.581 5.393 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(OC)cc2)cc1 169922089 PCKUIPIPRJPRQF-HSZRJFAPSA-N 447.462 5.016 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2cccc(C)c2)cc1 169922867 SMVRIGYGCUVXCU-DEOSSOPVSA-N 439.467 5.533 30 10 IKEE COc1cc(Br)cc(/C=N\Nc2nc(-c3ccc(C)c(C)c3)cs2)c1OC 169940384 PGSJGSGKIABYQF-YVNNLAQVSA-N 446.370 5.653 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc(C)c2)cc1 169968871 KUYNRKMUQHFLFO-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(OC(C)C)c2)cc1 169981482 LXZXSUNIZGTURS-DEOSSOPVSA-N 449.547 5.393 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2cccs2)cc1 169983148 DJQBXJPRJXBKBI-QHCPKHFHSA-N 445.540 5.589 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C2CCCCC2)cc1 170031775 YHGZEYOMAQLRTI-QFIPXVFZSA-N 439.939 5.650 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccccc2)cc1 170032633 LRZJGYMPENUBQL-DEOSSOPVSA-N 445.490 5.706 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@H]2c2ccccc2)s1 170049499 MJWPIFYLFAZCOG-NRFANRHFSA-N 446.572 5.840 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2sccc2C)cc1C 170106374 LZBVETCKZBQSEB-QFIPXVFZSA-N 445.540 5.391 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1ccccc1OC 170125455 VSNAXUHYWORSHS-FQEVSTJZSA-N 425.868 5.083 30 10 IKEE CCCOc1cccc(NC2=C(c3ccc(C)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 170140860 HORFWBDWOVSOSU-UHFFFAOYSA-N 437.499 5.052 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccn2)cc1 170179338 CXKFIIDYHDSMTR-QHCPKHFHSA-N 434.536 5.027 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccccc2)c1 170225421 QBSQKUPTYPJBIS-XMMPIXPASA-N 443.499 5.104 30 10 IKEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)cc4F)[C@@H]3c3ccccc3)ccc2O1 170229285 LVHIOTXMLCVWEV-LFVRLGFBSA-N 447.437 5.071 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(Cl)cc1 170236792 GYACUCGOEBHRJA-HSZRJFAPSA-N 433.935 6.262 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@@H]1c1ccc(F)cc1 170243155 IPYVSWZAUOTICO-QFIPXVFZSA-N 425.500 5.239 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(F)cc2)c1 170244043 LPTXQSDJJZWJDZ-OAQYLSRUSA-N 443.902 5.399 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@H]1c1ccccc1F 170253383 AUEKDJPOGDRHER-JOCHJYFZSA-N 425.500 5.220 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(CC)cc2)cc1 170265493 KZKAGLOIFJGSGL-VWLOTQADSA-N 441.527 5.821 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccc2C)cc1OC 170271439 CIGFKFZLAVLZON-XMMPIXPASA-N 443.499 5.104 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@H]2c2ccco2)c(C)c1 170287156 MUMGDDMKVZDAQN-DEOSSOPVSA-N 439.467 5.533 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C(C)C)cc2)c1 170364006 AEPSNIZIVPBQFI-HSZRJFAPSA-N 431.488 5.585 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1F)c1ccccc1 170381395 OXGLHSFZGIWKIJ-FQEVSTJZSA-N 442.273 5.915 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)cc1 170391496 HNCDIERNXWZGDS-OAQYLSRUSA-N 436.870 5.219 30 10 IKEE CCCOc1ccccc1N1C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]1c1ccc(N(C)C)cc1 170445552 SOBPAJGEKXYCGU-DEOSSOPVSA-N 436.552 5.057 30 10 IKEE C=CCCCCCSC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 236436615 MTRRSKCSJFRTOK-HSZRJFAPSA-N 439.577 5.458 30 10 IKEE C=CCn1c(-c2ccccc2)c(NC(=O)c2ccccc2)sc1=Nc1ccccc1OC 254404603 DDQNIFKJTLUBNI-UHFFFAOYSA-N 441.556 5.896 30 10 IKEE Cn1c(=NN=CC2=C(Sc3nc4ccccc4s3)CCCC2)sc2ccccc21 254759431 MUWSONHCBBJBFQ-UHFFFAOYSA-N 436.631 6.356 30 10 IKEE CCN(CC)c1ccc(C=Nc2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)s2)cc1 254870530 UHPFATMSXBVRQZ-UHFFFAOYSA-N 437.918 7.079 30 10 IKEE N#Cc1c(Cl)cccc1Nc1cc(Br)ccc1I 385376739 QNNBDGYOHZPGIW-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(OC(C)C)cc2)c1 526487823 AEDQISQSUFNGSB-VWLOTQADSA-N 440.499 5.411 30 10 IKEE CCOc1cc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)ccc1OC 526489869 TWBISQFLCNQBAP-XMMPIXPASA-N 444.462 5.162 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1cc(Cl)c(O)c(OC)c1 526809234 HPDZSMXZNBLOIC-MSXFZWOLSA-N 444.988 5.390 30 10 IKEE CCOc1ccc(/C=N\n2cnnc2SCc2c(F)cccc2Cl)cc1OCC 526817522 WTGIJHNZZTXQQL-MYKKPKGFSA-N 434.924 5.043 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1cccc(C(F)(F)F)c1 526819087 OJSDXNHRWANISO-VYYCAZPPSA-N 446.542 6.431 30 10 IKEE N#Cc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccc(Cl)cc2)cc1 526823850 WSHMYUSXOCEIRU-YUMHPJSZSA-N 443.963 5.568 30 10 IKEE N#Cc1cccc(C(=O)NC2CCC(OC(=O)/C=C/c3ccc(Cl)cc3Cl)CC2)c1 586509435 FISVBVXPVFGVBU-VZUCSPMQSA-N 443.330 5.163 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCN(C(=O)OC(C)(C)C)[C@H]2C)c1 710776913 LKEUVBPRUYRCMK-MHECFPHRSA-N 429.561 5.418 30 10 IKEE Cc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)c(C)c1Br 719631273 DCKOKVXRLAPKLZ-GOSISDBHSA-N 449.776 6.726 30 10 IKEE O=[N+]([O-])c1ccc(C=Nc2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 1084598135 GOARBTJLMPIARI-UHFFFAOYSA-N 430.445 6.044 30 10 IKEE S=C(N/N=C\c1cn(-c2cccc(Cl)c2)nc1-c1ccccc1)Nc1ccccc1 1857810976 GOMGSHACBJWTBD-MYYYXRDXSA-N 431.952 5.513 30 10 IKEE C=C(C)Cn1nc(C)c(CCC(=O)Nc2ccc3c(ccn3Cc3ccccc3)c2)c1C 1860322570 UTYLTONBHGBMMY-UHFFFAOYSA-N 426.564 5.650 30 10 IKEE O=C(/C=C/c1cccc2ccccc12)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1 1860728051 UFVPZTSNDOUHEE-LICLKQGHSA-N 441.914 6.293 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)Cc1c[nH]c2ccccc12)c1ccccc1 1861389302 ZWOWIZZETHWMJG-MHZLTWQESA-N 447.623 5.825 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(CC)cc2)cc1 1862390798 MIZUARDKIYTYJR-RUZDIDTESA-N 431.576 6.113 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccccc1C 1862411284 CYUGDYPNMGFGPT-FDDCHVKYSA-N 441.518 6.210 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 1862433118 VIHAWOHAOIEBKP-AVRDEDQJSA-N 439.939 5.221 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(C(C)(C)C)cc1 1862434952 KUMYBXQSLGLYHH-NRFANRHFSA-N 425.956 6.016 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(Br)cc1 1862438274 KLWWCIBPBVBGIN-KPZWWZAWSA-N 448.744 5.479 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCc2ccccc2)c1 1862444245 YXARZLLDDOGABX-QHCPKHFHSA-N 431.919 5.469 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862445186 QJNFBUUUMXDVAM-HSZRJFAPSA-N 437.967 6.204 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccccc1Cl 1862490716 CBZMVZIYHCMVFG-JOCHJYFZSA-N 425.956 6.115 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(N(CC)CC)cc2)cc1 1862539375 WUVOPAFXEWEKSG-VWLOTQADSA-N 446.591 5.616 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1Cl 1862583683 IGWOLZZCMBORSB-ZMZPIMSZSA-N 438.738 6.024 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc(Cl)c2)cc1F 1862640546 JFMFMMBZPUHFEW-NRFANRHFSA-N 443.902 5.399 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1ccc(Cl)cc1Cl 1862646007 VFPVYFPXZNDWJU-SFHVURJKSA-N 438.282 5.129 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CCCC2)cc1 1862668639 DHRHVTRTZSDQHP-VWLOTQADSA-N 447.575 6.120 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccccc2Cl)cc1 1862672953 IHBHGOHSSSCWKM-QHCPKHFHSA-N 449.909 5.820 30 10 IKEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(F)c2)cc1 1862674007 RDEOIAWVOQLSLH-IQMFZBJNSA-N 449.453 5.313 30 10 IKEE N#Cc1ccccc1N1C(=O)C(Nc2cccc3ccccc23)=C(c2ccc(F)cc2)C1=O 1862777287 VSJXDUJHVINKNO-UHFFFAOYSA-N 433.442 5.247 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Br)cc2C)=C(c2cccc3ccccc23)C1=O 1863226827 TWACRYNJISIJFQ-UHFFFAOYSA-N 447.332 5.289 30 10 IKEE C=CCN1C(=O)C(Nc2cc(Cl)ccc2Oc2ccccc2)=C(c2ccc(C)cc2)C1=O 1863270806 WJCOELOFLOWRIG-UHFFFAOYSA-N 444.918 5.819 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)cc2)=C(c2ccccc2Cl)C1=O 1863437442 DEPYNOKIPRILHB-UHFFFAOYSA-N 428.935 6.032 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(C)cc(C)c2)=C(c2ccccc2Cl)C1=O 1863438330 QZZDUDRXQOMGIE-UHFFFAOYSA-N 438.999 6.509 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(OC)cc2)=C(c2c[nH]c3ccccc23)C1=O 1863487692 XUTHBPOXZMLXRD-UHFFFAOYSA-N 445.563 5.729 30 10 IKEE CCCCCCCCCCNC1=C(c2c[nH]c3ccccc23)C(=O)N(CCC(C)C)C1=O 1863821659 KNIZDBKCCASVGH-UHFFFAOYSA-N 437.628 6.024 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)nc(CCC)n1 1869227964 XBQVXCXEZPSPRU-HXUWFJFHSA-N 430.518 5.968 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)c2cccc(OCC(C)C)c2)n(-c2ccc(C)cc2)n1 1870001449 FGFMTOLXXPHQEX-UHFFFAOYSA-N 445.567 5.041 30 10 IKEE N#Cc1nnn(Cc2c(Cl)ccc(Cl)c2Cl)c1NC(=O)c1cc2ccccc2o1 1870110736 GQPODEOBGJMXCM-UHFFFAOYSA-N 446.681 5.157 30 10 IKEE C=CCn1cc(OCc2ccccc2F)c(=O)cc1CSCCc1nc2ccccc2[nH]1 1870231348 APIDHGSCMMDGTF-UHFFFAOYSA-N 449.551 5.105 30 10 IKEE C#CCOc1cn(CCc2ccc(C)cc2)c(CSc2nc3ccccc3s2)cc1=O 1870298919 OZQIHVMTKVRWIG-UHFFFAOYSA-N 446.597 5.313 30 10 IKEE CCCCCCCOc1cn(CCCN(CC)CC)c(CN2CCC(C)CC2)cc1=O 1870411493 BKXWFRBFQMOKMM-UHFFFAOYSA-N 433.681 5.161 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OC(C)(C)C)c(=O)cc1CN1CCCCCC1 1870445838 NLPJDKJFJOHYIE-UHFFFAOYSA-N 448.648 5.305 30 10 IKEE C=CCn1cc(OCc2ccc(F)cc2)c(=O)cc1CNc1ccc(OC(F)(F)F)cc1 1871073636 NSZAGFQULVCGCI-UHFFFAOYSA-N 448.416 5.263 30 10 IKEE CCCCCCCCn1cc(OCCCCC)c(=O)cc1CNc1ccc2cc[nH]c2c1 1871130405 PZGIMXPWABCTAN-UHFFFAOYSA-N 437.628 6.871 30 10 IKEE C=CCn1cc(OCCCc2ccccc2)c(=O)cc1CNc1ccc(OCCCC)cc1 1871137705 LJVNVMWHXZRFFC-UHFFFAOYSA-N 446.591 5.837 30 10 IKEE C=CCn1cc(OCCCc2ccccc2)c(=O)cc1CNc1cccc(C(C)(C)C)c1 1871137931 YGGIAHJQOORZHM-UHFFFAOYSA-N 430.592 5.956 30 10 IKEE Cn1cc(CCN2COc3ccc4c(c3C2)O/C(=C\c2cccs2)C4=O)c2ccccc21 1871344934 JSJNARDJNGNNSV-CFRMEGHHSA-N 442.540 5.251 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(C)c(-c4ccc(Cl)cc4)c(=O)oc3c2)c1 1871388948 QKOWXPJDSKBPEO-UHFFFAOYSA-N 446.886 6.206 30 10 IKEE Cc1c(OCCCOc2ccccc2)ccc2c1O/C(=C\c1cn(C)c3ccccc13)C2=O 1871397362 PINUEVNAIINPMK-ONUIUJJFSA-N 439.511 5.951 30 10 IKEE Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2cccs2)C3=O)c(C)c1 1871402920 PNANPZVFPKOMGO-QLTNSANVSA-N 447.556 6.004 30 10 IKEE CC(C)(C)c1ccc(/C=C2\Oc3cc(OCCOc4ccccc4F)ccc3C2=O)cc1 1871418191 PMMBUIAJDWJGQZ-XYGWBWBKSA-N 432.491 6.197 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc3ccccc3c2)cc2c1C(=O)/C(=C/c1ccccc1)O2 1871419190 CUPLGKHLRPLUIB-QFEZKATASA-N 435.479 5.782 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OCC(=O)N[C@H](C)c3ccccc3)c2C)C1=O 1871424750 VOERPEFGFXHOTM-YPFLROGLSA-N 427.500 5.176 30 10 IKEE CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)c1 1871425640 HYAKAACXPIMTGT-BMLZXRGUSA-N 441.483 5.220 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OCC(=O)Nc3ccc(Cl)cc3)c2C)C1=O 1871441119 YUBCUFCMFMZERN-XKZIYDEJSA-N 433.891 5.591 30 10 IKEE C=CCN(CC=C)c1nc(=NCCC2=CCCCC2)nc(Nc2ccc(OCCC)cc2)[nH]1 1871726483 BOYRFLGPLQZVQQ-UHFFFAOYSA-N 448.615 5.307 30 10 IKEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1872007383 GWSHYJJNBMUDNR-HXUWFJFHSA-N 442.625 5.195 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cc(C)ccc1C)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872549867 JCXOESZRALSGCY-DEOSSOPVSA-N 442.625 5.150 30 10 IKEE N#C[C@H](C(=O)COc1cc(Cl)ccc1Cl)c1nc(-c2ccc3c(c2)OCO3)cs1 1872773791 YHHHHMQQOBIWQF-CYBMUJFWSA-N 447.299 5.101 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccccc3Cl)n2)c2ccccc12 1872787751 QQYIWYPOYWWPQP-LJQANCHMSA-N 432.932 6.044 30 10 IKEE COC(=O)c1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)cc1 1872788062 WGFAVFKATOWHBF-JRMCHAMMSA-N 446.528 5.112 30 10 IKEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)Nc3cccc(Cl)c3)cc2[nH]1 1872806682 ZZMSMIVVUHMLHC-UHFFFAOYSA-N 433.895 5.612 30 10 IKEE C=CCN(CC=C)c1nc(Nc2cccc(OC(C)C)c2)c2cnn(-c3ccccc3)c2n1 1873481709 LLMGEDWEKNMWEO-UHFFFAOYSA-N 440.551 5.525 30 10 IKEE CCCCCOc1ccc(/C=N/Nc2ncnc3c2[nH]c2cc(OC)c(OC)cc23)cc1 1873795543 PKVFUJMGAPEWCI-MZJWZYIUSA-N 433.512 5.143 30 10 IKEE CCOc1ccccc1OCc1nnc(SCc2cccc(C)c2)n1/N=C/c1ccco1 1874240477 JLWITRWQSDOYJQ-MFKUBSTISA-N 448.548 5.332 30 10 IKEE C=C(C)CSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1ccccc1Cl 1874247124 NFGLNALMGQYZEA-MFKUBSTISA-N 441.000 5.802 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2ccccc2F)nnc1-c1ccccc1Cl 1874367365 YPUPVKFCQYUJJK-VULFUBBASA-N 436.943 6.221 30 10 IKEE Cc1cccc(/C=N/n2c(CCc3cccs3)nnc2SCc2cccc(F)c2)c1 1874370167 KXFAGAFQDUGODS-MFKUBSTISA-N 436.581 5.747 30 10 IKEE Cc1cccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2cc(C)ccc2C)c1 1874402849 LUPDYZRPYSQSPB-MTDXEUNCSA-N 440.616 6.163 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3cccc(F)c3)nnc2-c2cccs2)c1 1874421427 LWFFVARCXFGYBM-ZVHZXABRSA-N 438.553 5.719 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(-c3cccs3)n2/N=C/c2ccccc2C)c1 1874422193 ZFYFFTGYYHPNMN-ZVHZXABRSA-N 447.589 5.236 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccccc3)n2/N=C/c2ccccc2C(=O)O)c1 1874427276 ZYALKXQKNDEVCJ-MFKUBSTISA-N 428.517 5.126 30 10 IKEE Fc1ccccc1CSc1nnc(C2CCCC2)n1/N=C/c1ccc2c(c1)OCCO2 1874456045 XXZORHMNVYLKFM-AFUMVMLFSA-N 438.528 5.021 30 10 IKEE Cc1ccccc1NC(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1ccc(C(C)C)cc1 1874482616 ISQJKBAOIPWZGE-CVKSISIWSA-N 449.624 5.620 30 10 IKEE CCCCCOc1ccccc1/C=N/n1c(S)nnc1CC12CC3CC(CC(C3)C1)C2 1874567079 DQLZXVYGKIZDRV-YZSQISJMSA-N 438.641 5.777 30 10 IKEE COc1cc(C(=O)/C=C/c2ccc(OC)c(OCc3ccccc3)c2)c(OC)cc1Cl 1874598765 DAFUFJOPSLQZMX-PKNBQFBNSA-N 438.907 5.841 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc1OCc1ccccc1C 1874600303 FHYRSGGUULJSNG-PKNBQFBNSA-N 436.935 6.449 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1)c1ccc2c(c1)CCCC2 1874603751 CVOVKBBGYDSTQC-UKTHLTGXSA-N 437.366 7.347 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3C)c(Cl)c2)cc1C 1874606836 JAAPBRIWTDBQQM-DHZHZOJOSA-N 449.934 5.879 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc3ccccc23)c([N+](=O)[O-])c1)c1ccc(F)cc1F 1874611819 SNFKORJTFAKNEF-XYOKQWHBSA-N 445.421 6.501 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C 1874625780 VSBWXYUKBJXPRK-LFYBBSHMSA-N 433.479 5.365 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1C 1874637645 KLQYMHOIZKDKGQ-YRNVUSSQSA-N 447.487 5.704 30 10 IKEE CCCOc1c(Br)cc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc1OC 1874639142 KPFVTDVOFJQCPW-FNORWQNLSA-N 439.733 5.805 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cccc(OC(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)c1 1874698512 AETCYNMTMRUPSL-KEWOFRHOSA-N 444.527 6.088 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1OC(=O)C1CCCC1 1874712777 QDTBINMHAKRCBE-GZTJUZNOSA-N 442.511 6.479 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OC(=O)CCOc1ccccc1 1874716573 YTKNTPTZMWFUPW-ZRDIBKRKSA-N 444.527 5.891 30 10 IKEE Cc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3cc(Cl)ccc3Cl)c2)cc1C 1874719039 XKTYZKJWXJTWSL-YRNVUSSQSA-N 425.311 6.726 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3OC)cc2)cc1 1875105591 CMMPNZYATBEYLI-XMHGGMMESA-N 428.528 6.082 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)CCc2ccccc2C)c(Cl)c1 1875118613 FYMZSGPOXCAOGT-SDNWHVSQSA-N 434.919 6.091 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3Cl)c([N+](=O)[O-])c2)c(C)c1 1875134697 GSQHDKMHGYSIGG-DHZHZOJOSA-N 449.890 5.909 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3)c(OC)c2)c1 1875147565 ZRIHSXAUGCKOJL-UKTHLTGXSA-N 446.499 5.147 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1cnc(C)cn1 1875157353 UIWLDLVWTNBGQV-WUXMJOGZSA-N 430.504 5.422 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)Cc1ccc(C)cc1 1875158918 TUNNPGVYHKWQJO-XNTDXEJSSA-N 444.502 5.915 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccncc3)c(Cl)c2)cc1C(C)C 1875163174 YRRAXXGHAZDBCR-FNORWQNLSA-N 449.934 6.291 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)C2CC2)c(Cl)c1 1875167797 KBUZZTIKGFXLER-QHHAFSJGSA-N 425.695 5.867 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)c3ccncc3)c(OC)c2)c1 1875173009 RYQQBNMPGLXZEO-RMKNXTFCSA-N 447.487 5.003 30 10 IKEE C[C@@H]1CCC[C@@](C#N)([C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1 1875690580 WFHCOLOJTFWGCX-MXUAVAHLSA-N 441.571 6.598 30 10 IKEE C#CC[C@@H](C[C@H](NC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C1CC1 1887464980 QNWLTRIQQUDAMX-XCZPVHLTSA-N 439.599 6.545 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1ccc(I)c(Cl)c1 1922091504 KAJMZIQRNWCZDY-LJQANCHMSA-N 441.740 5.368 30 10 IKEE C=C([C@@H](NCCC)[C@@H](O)c1scc(Br)c1Br)[Si](C)(C)C 1922918657 PUKCJGLUWPCCOH-CHWSQXEVSA-N 441.305 5.108 30 10 IKEE C=C[C@](CCC)(NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCC)C(=O)O 1927514224 QVQBUNQEHFJAOK-RPLLCQBOSA-N 435.564 6.141 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCCCC[C@@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1929587978 VJPSJISNMGKELG-CPJSRVTESA-N 443.588 5.543 30 10 IKEE C[C@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1938773808 WZVHXCGLMXUDDC-QRQCRPRQSA-N 435.952 5.373 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)C1 1944696674 BNUSNWZWAVYKGH-LPHOPBHVSA-N 433.524 5.106 30 10 IKEE CCCCCCCCCC[C@@H](N)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1947488132 DOIQOOGZABIQSK-DNQXCXABSA-N 434.665 6.345 30 10 IKEE C=CCCCCCCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1995329083 XVSQXPJBOZHXOG-SANMLTNESA-N 449.591 6.675 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC[C@]2(C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 2009499619 KVXRQLAYPPODOG-HSZRJFAPSA-N 447.963 5.375 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(CC2CC2)C(=O)OC(C)(C)C)C[C@H]1C1CCC1 2018419917 MXOFATBBGQJZLQ-YADARESESA-N 433.593 5.095 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C)([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)C1 2022134685 LYUZOWDQWLDSMX-JPYJTQIMSA-N 449.979 5.621 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C)([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 2022136322 TWJLMECEDSZGSN-JPYJTQIMSA-N 433.524 5.106 30 10 IKEE CCCN[C@@](C#N)(CCCN(CCN(C)Cc1ccccc1)Cc1ccccc1)C(C)C 2034740226 VPPQYZLPOCSUHK-MUUNZHRXSA-N 434.672 5.319 30 10 IKEE CC(C)(C)OC(=O)NCC[C@@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C1 2038869259 LUDIZAGTJNACMF-UQBPGWFLSA-N 443.588 5.795 30 10 IKEE C=C(CO)[C@@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@@H](O)CC[C@@]34C)[C@H]12 2054325757 ZNUAKACHFYTNFX-ZWPFISNSSA-N 442.728 6.997 30 10 IKEE Cc1ccc([C@H](n2nc(C3CC3)c(/C=N/O)c2I)C2(C)CC2)cc1C 2079126412 XHMRIOBDWACXLI-QPHXDFOYSA-N 449.336 5.180 30 10 IKEE C=CCCCCCC[C@@H](NC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2085854611 QVSXPPGCWQIGTD-XMMPIXPASA-N 443.676 5.661 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)c(Br)c1)NCC 2110501335 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2296596513 ASMRQDHESBTGRW-ZIAGYGMSSA-N 432.347 5.793 30 10 IKEE Cc1ccccc1N=C1SC(=Cc2ccc(C(C)C)cc2)C(=O)N1c1ccccc1C 2296826749 MRDUCHUHMFQMJK-UHFFFAOYSA-N 426.585 7.235 30 10 IKEE C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)C(=Cc3ccnn3C3CCCC3)C[C@H]12 2297124293 NDZYXAXWOZOQAQ-QSTCFATMSA-N 434.624 5.884 30 10 IKEE O=C1C(=Cc2cccn2-c2ccccc2)SC(=Nc2ccccc2)N1Cc1ccccc1 2313545885 MHDNRHSNOVFZEB-UHFFFAOYSA-N 435.552 6.282 30 10 IKEE Cc1nnc(N=C2SC(=CC=Cc3ccccc3[N+](=O)[O-])C(=O)N2c2ccccc2)s1 2314547395 GQIGNMRUBKPGJC-UHFFFAOYSA-N 449.517 5.120 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](CSc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2317313011 PWGUVUCCZOBGEQ-GOSISDBHSA-N 446.422 5.075 30 10 IKEE CCCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccccc1OCC(C)C 2318571902 VOXGXOYDLFUZOY-UHFFFAOYSA-N 426.561 5.579 30 10 IKEE Sc1nnc(CC2CCCCC2)n1N=Cc1cccc(OCc2ccc(Cl)cc2)c1 2321958546 NAJKJEBZZVMAJY-UHFFFAOYSA-N 441.000 5.804 30 10 IKEE CCc1ccc(C(=O)C=Cc2c(OCc3cccc(Cl)c3)ccc3ccccc23)cc1 2322353607 SFFYRMFBMYWZHQ-UHFFFAOYSA-N 426.943 7.531 30 10 IKEE COc1cccc(C=CC(=O)c2cccc(Cl)c2)c1OCC(=O)Nc1ccccc1C 2322528108 PONYFTPUWVJHGU-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE COc1cccc(C=CC(=O)c2cccc(Cl)c2)c1OCC(=O)Nc1ccc(C)cc1 2322528152 ZTNZIRAPKJRDQW-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCC(=O)OCC(C)C)cc1 2322557223 ZQZXLHWXIKJEIH-UHFFFAOYSA-N 446.927 5.221 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccc(C)cc2C)c(C)c1C 2322810052 GLPFLYHYHUMMPW-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccccc1OCC(=O)Nc1cccc(C)c1C 2323022276 MXHSRSGPPSBKAG-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)c1C 2323259437 GVPSDVPMHJMLDG-UHFFFAOYSA-N 439.382 7.702 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c2C)C1=O 2323310211 CCQCQHHJFFUFEM-UHFFFAOYSA-N 445.427 5.137 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)CC4CCCCC4)cc(C)c3C2=O)cc1OC 2323485558 XNTMHCWHPQQNJU-UHFFFAOYSA-N 436.504 5.504 30 10 IKEE C=CCOc1c(Br)cc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1OC 2323529714 TVGOPSYIHZEXRM-UHFFFAOYSA-N 442.136 6.225 30 10 IKEE Cc1cc(OC(=O)c2cccc(OCC(C)C)c2)cc2c1C(=O)C(=Cc1ccc(F)cc1)O2 2323580111 SXHOXGKYCDAWTE-UHFFFAOYSA-N 446.474 6.004 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OC(=O)c3ccc(-n4cccc4)cc3)cc(C)c2C1=O 2323676618 PSESQKHIMCKILX-UHFFFAOYSA-N 441.508 5.991 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2)C3=O)c(OCC)c1 2323790128 LZDYWCLUKISWSM-UHFFFAOYSA-N 444.483 5.628 30 10 IKEE C=CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2323865350 QNWXRWYVXMUUMM-UHFFFAOYSA-N 446.886 6.049 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3Cl)c([N+](=O)[O-])c2)cc1 2323900855 GHAZSNXNRWOZGV-UHFFFAOYSA-N 442.298 6.685 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(OC)c(OCc2ccc(F)cc2)c(OC)c1 2323992365 USLNWAUPWZZTDX-UHFFFAOYSA-N 436.479 5.635 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccc(F)cc4)c3C)C2=O)cc1 2324319246 CAKRIKFXUKFMKZ-KRWDZBQOSA-N 445.490 5.719 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OCc1cc(C)ccc1C 2324356604 AAMMSHDKSHETRF-UHFFFAOYSA-N 428.572 7.021 30 10 IKEE COc1cccc(-c2csc([C@@H](C#N)C(=O)C(=Cc3ccccc3)c3ccccc3)n2)c1 2324383482 PAOQNEPKXQIUFS-DEOSSOPVSA-N 436.536 6.236 30 10 IKEE Cc1cccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccc(C)cc4C)ccc3C2=O)c1 2324494324 SWYMCJFBXGZHCD-IBGZPJMESA-N 427.500 5.634 30 10 IKEE COc1ccc(C=C2Oc3cc(OCCCOc4ccc(Cl)cc4)ccc3C2=O)cc1 2324545935 DSSJQUJYGYQVMD-UHFFFAOYSA-N 436.891 5.813 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc(OCCCCOc3ccc(C)cc3)c2C)C1=O 2324588921 WEOGIRLIMHHVDV-UHFFFAOYSA-N 444.527 6.166 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc(OC)c1OCC(=C)C 2324599302 QICQUNIJRMSOOW-UHFFFAOYSA-N 447.358 6.590 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccc(Cl)cc4)cc(C)c3C2=O)o1 2324620615 NWKIZHVNUIMOIC-HNNXBMFYSA-N 437.879 5.572 30 10 IKEE CCCOc1c(OCC)cc(C=CC(=O)c2ccc(OC)c3ccccc23)cc1[N+](=O)[O-] 2324684981 HXVRTBJCEGHWON-UHFFFAOYSA-N 435.476 5.840 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OCc2ccccc2C)c([N+](=O)[O-])c1 2324704135 YPNAHIIRMOLLJF-UHFFFAOYSA-N 437.879 6.040 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(c4ccccc4)c4ccccc4)ccc3C2=O)cc1 2325215667 RBLRMEVMYVVLBL-UHFFFAOYSA-N 434.491 6.480 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccc(C(C)C)cc3)ccc2C1=O 2325318289 OLTVHJPCWGUVHG-UHFFFAOYSA-N 427.500 5.752 30 10 IKEE Cc1cc(OCc2ccccc2C#N)cc2c1C(=O)C(=Cc1ccccc1Br)O2 2325352690 ALYLHPAYXIADHU-UHFFFAOYSA-N 446.300 5.824 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccc2c(c1)OC(=Cc1ccc(N(C)C)cc1)C2=O 2325493255 ZGDRUZZBSWLOAE-UHFFFAOYSA-N 442.515 5.003 30 10 IKEE CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1c(Cl)cccc1Cl 2325589545 DDPNZKWCBXIUCF-UHFFFAOYSA-N 436.324 5.230 30 10 IKEE COc1ccc(CCOc2ccc3c(c2C)OC(=Cc2c(F)cccc2Cl)C3=O)cc1 2325631768 YAIIDAFYUWOVBD-UHFFFAOYSA-N 438.882 6.034 30 10 IKEE Cc1cc(OCCN2CCCCC2)cc2c1C(=O)C(=Cc1c(Cl)cccc1Cl)O2 2325701643 ICBPZVCFVLOUNI-UHFFFAOYSA-N 432.347 5.783 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(F)cc2)cc2c1C(=O)C(=Cc1cccc(Cl)c1)O2 2325727949 DXEBRNIPBSFTIP-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2)cc1OC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 2325731383 HNUOJRUQPCPQDJ-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccc(Cl)cc1 2326018054 OUKFXEMSWBHDQG-UHFFFAOYSA-N 447.391 5.757 30 10 IKEE CCCOc1cc(C=Nn2c(CCC)nnc2SCc2cccc(C)c2)ccc1OC 2326382531 VQXHNMDIYPDEIM-UHFFFAOYSA-N 438.597 5.511 30 10 IKEE CCCc1nnc(SCc2ccc(Br)cc2)n1N=Cc1ccc(CC)cc1 2326620245 AUMSWALUTLRYJO-UHFFFAOYSA-N 443.414 5.730 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2F)n1N=Cc1ccccc1O 2330108739 NQORAQUMKXYMKW-KRWDZBQOSA-N 432.524 5.449 30 10 IKEE Cc1ccccc1CSc1nnc(-c2cccs2)n1N=Cc1ccc(N(C)C)cc1 2330539591 WOXFIJSBGVWTCP-UHFFFAOYSA-N 433.606 5.556 30 10 IKEE Fc1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2c[nH]c3ccccc23)cc1 2330639975 DRTWBTLJWHADNE-UHFFFAOYSA-N 427.508 5.740 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2-c2ccccc2)c1 2330673076 WEMDSGUNSUCHSR-UHFFFAOYSA-N 442.588 6.135 30 10 IKEE CC(C)COC(=O)CSc1nnc(-c2ccccc2)n1N=Cc1cccc2ccccc12 2330692791 XOCXNIAEBANNAB-UHFFFAOYSA-N 444.560 5.272 30 10 IKEE Fc1cccc(CSc2nnc([C@@H]3CCCO3)n2N=Cc2c(F)cccc2Cl)c1 2330935666 AGBWSYVCZUGNJC-SFHVURJKSA-N 434.899 5.236 30 10 IKEE Oc1ccccc1C=Nn1c(SCc2ccc(Cl)cc2Cl)nnc1[C@@H]1CCCO1 2330999201 PUZZLKKFZHXCKM-SFHVURJKSA-N 449.363 5.317 30 10 IKEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1cc(C)cc(C)c1 2331048495 OYKOCRJKMFWTGD-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)Cc1ccc(F)cc1 2331076229 YKFPPPHGSISZDD-UHFFFAOYSA-N 434.463 5.277 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)cc(Br)c1OC(=O)C1CC1 2331079493 RSTWIIHRFUXENP-UHFFFAOYSA-N 445.309 5.068 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)cc3)c(Cl)c2)cc1 2331300828 RILYLFCCSXFNEK-UHFFFAOYSA-N 434.919 6.553 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(C(F)(F)F)cc2)cc1 2331352365 MZNCHUPDAROBNC-UHFFFAOYSA-N 440.417 6.138 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3OC)cc2)cc1 2331352408 RZORFHGFDIKSOK-UHFFFAOYSA-N 428.528 6.000 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1cncc(C)c1 2331373139 DPXIHQZMIABVQW-UHFFFAOYSA-N 431.488 5.221 30 10 IKEE COc1ccccc1C=Nn1c(SCc2ccc(Cl)cc2Cl)nnc1C(C)(C)C 2331411018 FGESIZMQMFDKOD-UHFFFAOYSA-N 449.407 6.066 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)Cc1ccccc1F 2331429811 HPABURISWMAATI-UHFFFAOYSA-N 446.518 6.176 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)cc2)cc1 2331491484 KECAWSIHEJTKHR-RPBOFIJWSA-N 444.958 7.069 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3F)c([N+](=O)[O-])c2)cc1 2331497816 DTHBZYJQSWEIMR-UHFFFAOYSA-N 447.462 5.902 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C2CCC2)cc1 2331501226 YMLBTHTVIHRWCX-UHFFFAOYSA-N 437.525 5.027 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)Cc1ccccc1Cl 2331508656 MHBMNVGMNADZBK-UHFFFAOYSA-N 448.946 6.516 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2[N+](=O)[O-])c(Cl)c1)c1ccc(F)cc1 2331523378 UBXXGUYZCSSTGD-UHFFFAOYSA-N 425.799 5.503 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)Cc1ccc(F)cc1F 2331540010 SFGUBRJXAOFUJK-UHFFFAOYSA-N 426.390 5.157 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2c(F)cccc2Cl)cc1 2331875119 QYBDAPFVJVYXBD-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE CC(C)c1ccc(C=CC(=O)Nc2c(C#N)nnn2-c2ccc(Nc3ccccc3)cc2)cc1 2332187586 UBAIFQDQTHOZIG-UHFFFAOYSA-N 448.530 5.658 30 10 IKEE CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339597196 PEOIDQOZOYWGHY-IEBWSBKVSA-N 446.397 5.044 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)[C@@H]1C[C@H]1C1CCCCC1 2357746228 RZOKDHOWNOZAFX-ZCNNSNEGSA-N 433.390 6.299 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)[C@@H]1C[C@H]1C1CCOCC1 2357746856 CINLWTSECSKIBF-FCEWJHQRSA-N 435.362 5.145 30 10 IKEE CC1(C)OB(c2ccc(Nc3ccc(Br)c(Cl)c3)c(C#N)c2)OC1(C)C 2364758339 RXZOPGLZHSGXQV-UHFFFAOYSA-N 433.542 5.017 30 10 IKEE CC(C)(C#Cc1ccc([C@H]2SCCN2C(=S)Nc2cccc(Cl)c2)s1)CO 2727621 IKMGCZBQJGTCBL-GOSISDBHSA-N 437.055 5.216 30 10 IKEE COc1cc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccc(Cl)cc2)ccc1O 33321097 LLUMZAUJCNOVHZ-QRQCRPRQSA-N 436.895 5.309 30 10 IKEE C[C@H]1Oc2ccccc2C=C1/C=C1/Oc2cc(OC(=O)c3ccccc3F)ccc2C1=O 33490374 KYAGIFOYOBVIJX-GMJSKMFWSA-N 428.415 5.368 30 10 IKEE Cc1cccc2cc(/C=C\C(=O)c3c(-c4ccccc4)c4ccccc4[nH]c3=O)c(=O)[nH]c12 35104849 ARSYGIBJUNUGFR-PFONDFGASA-N 432.479 5.241 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCc4ccc(Cl)c(Cl)c4)ccc3C2=O)cc1 39754134 VKPMNVKVYBGXRK-FMCGGJTJSA-N 441.310 6.587 30 10 IKEE Cc1ccc2c(c1)C(=O)/C(=C/c1cn(-c3ccccc3)nc1-c1ccc(OC(C)C)cc1)O2 39842442 VQXHFTBNGZQFNR-QQXSKIMKSA-N 436.511 6.251 30 10 IKEE COc1ccc(CN2COc3c(cc4c(c3C)O/C(=C\c3ccc(F)cc3)C4=O)C2)cc1 41586782 RABQLGUQHGVZOM-KSEXSDGBSA-N 431.463 5.111 30 10 IKEE CC(=O)C1=NN(c2ccc(C)cc2)[C@]2(S1)SC(C(C)=O)=C(C)N2Cc1ccccc1 59121844 YDJYOZUTDKVVRZ-QHCPKHFHSA-N 437.590 5.132 30 10 IKEE CCCCCNc1c(C#N)nc(Cc2ccccc2)c2c1CN(NCc1ccccc1)CC2 96562369 HSYGUTADXPIRIZ-UHFFFAOYSA-N 439.607 5.209 30 10 IKEE COc1ccc(-n2c(-c3ccc(F)cc3)cc(/C(C)=N/OCc3ccccc3C)c2C)cc1 97632279 VKMXGHLDNVKVKR-TWKHWXDSSA-N 442.534 6.850 30 10 IKEE O=S(=O)(c1ccc(/N=C/c2cccc(Cl)c2Cl)cc1)N1CCc2ccccc21 100037685 IWDMYOKWNOKWMO-ZVHZXABRSA-N 431.344 5.495 30 10 IKEE CCCCCCCCCCCCCCCC(=O)[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C 103635482 SMAWUTBOJBVYFQ-JOCHJYFZSA-N 439.681 7.409 30 10 IKEE CC(C)/C(Cl)=N/OC(NC(=O)Nc1ccc(Cl)cc1)(C(F)(F)F)C(F)(F)F 103912534 UDEMUCNRHRKLCJ-MRUKODCESA-N 440.171 5.507 30 10 IKEE COc1cccc(/C=N\n2c(S)nnc2C2CCCCC2)c1OCc1cccc(C)c1 169910173 DNTIUQOJGYKXTP-MYYYXRDXSA-N 436.581 5.393 30 10 IKEE COc1cc(/C=N\Nc2nc(-c3cccs3)c(C)s2)ccc1OCc1ccccc1 169941923 IUJQEMPHLOMQPF-OYKKKHCWSA-N 435.574 6.214 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccc(O)cc1)c1cccc(Cl)c1 169958520 DJPCDOFIWISYKA-HXUWFJFHSA-N 441.817 5.107 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@@H]2c2cccs2)s1 169987188 ABGDEBPGKFJWFK-QGZVFWFLSA-N 444.965 5.566 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@@H]2c2ccccc2)ccc1F 170050458 DBHCKVBAAAQQRX-OAQYLSRUSA-N 439.845 5.710 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(Cl)cc2)cc1C 170057409 FRWKZWIOPLRUCT-JOCHJYFZSA-N 435.882 5.879 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccc(F)cc2)ccc1F 170061019 SHAPVNDERQAXGZ-NRFANRHFSA-N 441.380 5.334 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@H]1c1ccc(OC)cc1 170116587 JZOIADRTPYOWIV-JOCHJYFZSA-N 437.536 5.089 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@H]1c1ccc(OCC)cc1 170213536 FOBHUDARHMSCAL-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@H]1c1cccc2ccccc12 170220740 FHYZTSQMLHRYSO-XMMPIXPASA-N 443.543 5.844 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(CCOC(C)C)[C@H]1c1ccccc1 170222483 UEXUXYDWHIJBHD-QHCPKHFHSA-N 435.564 5.296 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@H]1c1ccc(Cl)cc1 170236570 QWCIEUAVJGMPNC-HXUWFJFHSA-N 448.346 5.771 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@H]1c1ccc(C(C)C)cc1 170245521 CDBOTEFFADFGOJ-XMMPIXPASA-N 435.564 5.930 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2C)cc1C(C)C 170278279 ZIJARPBUIKEJTC-VWLOTQADSA-N 447.575 6.038 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2ccco2)cc1C 170297176 DNQNVJFZTIIEBV-DEOSSOPVSA-N 445.515 5.382 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(F)c(F)c2)cc1 170360969 LCCRYMMUOGDCCX-HSZRJFAPSA-N 449.453 5.455 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCO4)[C@@H]2c2ccc(Cl)cc2)cc1 170374916 GNXVRBXXXKPEEA-JOCHJYFZSA-N 447.874 5.160 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2ccc(CC)cc2)c1 170389926 YEEREALUOAQZNH-XMMPIXPASA-N 442.515 5.216 30 10 IKEE CC(C)(c1ccccc1)c1ccc(OCCn2cc(C=Nn3cnnc3)c3ccccc32)cc1 254296564 VKMPUIGLVJRCNG-UHFFFAOYSA-N 449.558 5.520 30 10 IKEE O=C1N(c2ccc(C(F)(F)F)cc2)C(=Nc2ccc(C(F)(F)F)cc2)SC12CC2 254490745 FZDIGQGSMQACPZ-UHFFFAOYSA-N 430.373 6.024 30 10 IKEE C[C@@H](Nc1ccc(Br)c(I)c1)c1ccc(C#N)cc1 311614074 GCKMZWUXOUTBBG-SNVBAGLBSA-N 427.083 5.098 30 10 IKEE CCOc1cc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2sccc2C)ccc1OC 526515109 IKBXXGWVTAIDLO-JOCHJYFZSA-N 446.528 5.393 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526518589 ZQSOKSAVKIGRES-DEOSSOPVSA-N 442.946 6.566 30 10 IKEE COc1ccc2c(c1)c([C@@H]1C(c3ccc(C)cc3)=C(O)C(=O)N1c1ccccc1C#N)cn2C 526609665 XQZVXEHEATXFKL-AREMUKBSSA-N 449.510 5.424 30 10 IKEE CCCCOc1cccc(/C=N\n2c(CC)nnc2SCc2ccc(Cl)cc2)c1 526807376 YEGWWPJNJQVVKQ-IWIPYMOSSA-N 428.989 5.847 30 10 IKEE Cc1ccc(COc2ccccc2/C=N\n2cnnc2SCc2cc(C)ccc2C)cc1 526818519 NCGZQKMINDGEQA-MBTHVWNTSA-N 442.588 5.957 30 10 IKEE CCOc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(C#N)cc2)cc1 586148328 WAWZDFGGHQFHGG-UHFFFAOYSA-N 440.952 5.001 30 10 IKEE C=C(C)CN(c1ccc(N2CCC(C)CC2)cc1)S(=O)(=O)c1cc(C)c(C)cc1OC 586215401 WUVHZBKFPTUFKS-UHFFFAOYSA-N 442.625 5.320 30 10 IKEE Cc1cc(Cl)cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)c1 698450525 FCXRKQUEKJFOIH-SFHVURJKSA-N 435.749 6.417 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1ccc(F)cc1Cl 698457705 QSYDPLXXBYSDBH-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE C[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)CN1Cc1ccccc1 698900354 FMYQJUAXGFGTQG-HOYKHHGWSA-N 425.960 5.638 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@H](C#N)c1cccc(Br)c1Cl 706527899 RRSILZCGYGRMSS-MRXNPFEDSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@@H](C#N)c1cccc(Cl)c1Br 719687047 VPRNBAUASQSJGX-ZDUSSCGKSA-N 428.718 5.605 30 10 IKEE O=C(Nc1ccc(Cl)cc1)ON=C(c1ccc(Cl)cc1Cl)N1CCCCC1 1084045672 UFRMODBNEVPMEA-UHFFFAOYSA-N 426.731 6.043 30 10 IKEE CC(C)(C)c1ccc(N=Cc2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 1084149834 DWWQAMAFWKAJNP-UHFFFAOYSA-N 448.813 7.895 30 10 IKEE CCN(CC)c1ccc(C=NNc2nc(SCc3ccc(C(C)(C)C)cc3)n[nH]2)cc1 1084382339 BYRZNCHMWWWDCO-UHFFFAOYSA-N 436.629 5.687 30 10 IKEE COC(=O)c1c(N=Cc2ccc(OC)c3ccccc23)sc(Cc2ccccc2)c1C 1084459130 PMSPEAGOLXREPP-UHFFFAOYSA-N 429.541 6.346 30 10 IKEE Fc1cccc(NC(=S)N/N=C\c2cn(-c3cccc(Cl)c3)nc2-c2ccccc2)c1 1857810656 AXULQOYOSSIBKS-WGARJPEWSA-N 449.942 5.652 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2cccc(NC(=O)c3cccc(C#N)c3)c2)cc1Cl 1860132838 IUZLSJHYNOLSJP-MRXNPFEDSA-N 433.895 5.178 30 10 IKEE CCCCCCCCNC(=O)C(C)(C)NC(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1 1861422913 DQGNAXXEWIDNKM-UHFFFAOYSA-N 434.584 5.215 30 10 IKEE CCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)COc1cc(C)c(Cl)c(C)c1 1861639426 ASSSGPYZWZLRMY-HSZRJFAPSA-N 425.013 5.097 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(Cl)ccc1Cl 1861764164 GAABHOHUUKCKTP-QFIPXVFZSA-N 449.422 5.811 30 10 IKEE CCCCCCCCNC(=O)c1cc(CCc2ccccc2)n(Cc2ccccc2F)n1 1862318723 NMDPVDJMNPMXST-UHFFFAOYSA-N 435.587 5.946 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 1862396799 HKWJTLWTAKBICY-OAQYLSRUSA-N 445.481 6.036 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(F)cc2F)=C(O)C(=O)N1[C@@H](C)c1ccccc1 1862412238 ZOWHNJZKUFJMAE-HJPURHCSSA-N 433.454 5.613 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1c(F)cccc1Cl 1862420935 SIYFJMRCLYTDMS-LJQANCHMSA-N 437.845 5.382 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1[N+](=O)[O-])c1ccccc1Cl 1862436038 KFZYCTIURDTSLR-NRFANRHFSA-N 448.862 5.027 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2c(F)cccc2Cl)cc1 1862480797 PEJFDKUIFJYNPJ-QFIPXVFZSA-N 441.930 6.089 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862488626 FAEDETNJQQPCKP-AREMUKBSSA-N 445.603 6.557 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2cccc(C)c2)cc1 1862490057 MWQBCIHAQOMNJI-VWLOTQADSA-N 425.528 5.699 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2cccs2)c1 1862493790 XZPLBUBWCJSYGZ-HSZRJFAPSA-N 447.556 5.542 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(C(F)(F)F)cc2)ccc1F 1862509070 WPIVMNWVFCMQIB-FQEVSTJZSA-N 447.428 5.674 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2cccc(F)c2)cc1 1862529301 DSDXSDBSORSJMK-QFIPXVFZSA-N 435.520 5.271 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccccc2Cl)cc1 1862535752 JZKVXROFXNCNIC-DEOSSOPVSA-N 445.946 5.723 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2cc(Cl)cc(Cl)c2)cc1 1862538555 NIXPKHIQOJPROL-OAQYLSRUSA-N 446.374 6.180 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1C(=O)O 1862582425 DIGWVLWCFQOXQG-BBATYDOGSA-N 448.302 5.068 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(F)cc1F 1862661101 OLMMSRGIBGVFBT-QFIPXVFZSA-N 443.490 5.092 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1cccc(F)c1 1862702941 PKSBIOMDGIATOE-QHCPKHFHSA-N 439.527 5.773 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccccc1Cl 1862725482 JXSZTGMFPXESFB-HSZRJFAPSA-N 431.919 5.994 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 1862727838 NLJYZNVUNVFPGX-HSZRJFAPSA-N 442.471 5.250 30 10 IKEE CSc1cccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(Cl)cc3)C2=O)c1 1862801707 BZTZCIGPFXXXPK-UHFFFAOYSA-N 445.931 5.330 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(Cl)cc2)C(=O)N(C[C@H]2CCCO2)C1=O 1863528876 CPOMUFQKSQSGMJ-OAQYLSRUSA-N 447.019 5.329 30 10 IKEE CCCCCCCCNC1=C(c2ccc(C)cc2)C(=O)N(Cc2ccc(OC)cc2)C1=O 1863613036 NYHGPOWOWSTXMF-UHFFFAOYSA-N 434.580 5.234 30 10 IKEE CC[C@H]1Cc2cc(OC)ccc2N(c2cc(Nc3ccc(C#N)cc3)nc(CCOC)n2)C1 1868267201 JQDDBXDANZJJBC-SFHVURJKSA-N 443.551 5.010 30 10 IKEE COc1cccc(-c2nc(Nc3ccccc3C#N)cc(N3CC(C)(C)c4ccccc43)n2)c1 1868511537 VQNZURILBVXRNY-UHFFFAOYSA-N 447.542 6.197 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)C[C@@H](c1ccc(C)c(C)c1)C1CC1)c1ccccc1 1868690436 WSPWQMYBAOYUMJ-VPUSJEBWSA-N 430.592 5.245 30 10 IKEE CC(C)c1cc(C(C)C)cc(-n2nnc(C#N)c2NC(=O)CCCOc2ccccc2)c1 1870144917 NONWZASIUAFWRU-UHFFFAOYSA-N 431.540 5.183 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2C)c(CSc2ncccn2)cc1=O 1870251950 YKIKKZVTNARSLU-UHFFFAOYSA-N 437.609 5.637 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)c4c(F)cccc4Cl)cc(C)c3C2=O)cc1 1871375662 WSZVSLXZMMUDIM-MTJSOVHGSA-N 436.866 6.185 30 10 IKEE CCCOc1ccccc1/C=C/C(=O)Oc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O 1871375843 GOFCRQPWLUXGIU-RQAATEJQSA-N 426.468 5.710 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(C(C)C)cc2)ccc2c1O/C(=C\c1cccs1)C2=O 1871435563 RVOLJHJPKZHRHS-XKZIYDEJSA-N 433.529 5.814 30 10 IKEE Cc1ccc2oc(=O)cc(COc3ccc4c(c3C)O/C(=C\c3ccccc3C)C4=O)c2c1 1871460650 XVOZDWKSIYSVFD-MXAYSNPKSA-N 438.479 5.913 30 10 IKEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccs1 1871792862 QUWXBQHBZPLXLH-MRXNPFEDSA-N 447.409 5.039 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872230704 VQIRRYPRHHNOHT-QFIPXVFZSA-N 449.016 5.331 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccccc1 1872233701 USSCUQXJRWCZIE-OAQYLSRUSA-N 434.989 5.104 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1cccs1 1872447280 ZNRMRVIESVTQQN-FQEVSTJZSA-N 434.627 5.246 30 10 IKEE COc1ccc(Cl)cc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872762699 UQLAQFJZBJWSFO-CQSZACIVSA-N 437.735 6.269 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3Br)n2)cc1C 1872765872 YNCWKCQLLQSKBH-HNNXBMFYSA-N 427.323 5.380 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(Oc4ccccc4)c3)n2)cc1F 1872775711 YGMPDQYCRMSNMF-FQEVSTJZSA-N 444.487 6.240 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3cccc([N+](=O)[O-])c3)n2)c(C)c1C 1872778287 ICOBOQDEZSYOGR-QRBZPYHOSA-N 433.489 5.233 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccccc3Cl)n2)c(OCC)c1 1872783756 HDWVKUXRGCCPPQ-GOSISDBHSA-N 440.952 5.680 30 10 IKEE CC(=O)Oc1ccc(C(=O)[C@H](C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1 1872785488 OAQXEYHRWHQYIW-NRFANRHFSA-N 432.545 5.831 30 10 IKEE C=CCNC1=C(c2ccccc2[N+](=O)[O-])C(=O)N(C2CCCCCCCCCCC2)C1=O 1873140158 SVZYHHQMTMKXCE-UHFFFAOYSA-N 439.556 5.124 30 10 IKEE CCCCCOc1ccc(/C=N/Nc2oc([C@H]3C[C@@H]3c3ccccc3)nc2C#N)cc1OC 1873470490 JFXKWLZLXMVNFS-JNWIWMBKSA-N 444.535 5.841 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(CC)cc2)cc2c(NCCCCCCCC)ncnc21 1873621203 KQKGRDQVGRDRDG-UHFFFAOYSA-N 433.600 6.204 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1cccs1 1874204021 FQYSZPXNOOJQJR-KEBDBYFISA-N 425.366 5.386 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2OCC)n1/N=C/c1sccc1C 1874241214 UVLAWZMBOYZMHB-WSDLNYQXSA-N 428.583 5.176 30 10 IKEE Clc1ccccc1OCc1nnc(SCCc2ccccc2)n1/N=C/c1ccco1 1874267838 RRPKSZODKUUEKY-BUVRLJJBSA-N 438.940 5.321 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2cccn2C)cc1C 1874357722 WKAYQBVNSLTMFU-WGOQTCKBSA-N 429.593 5.307 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3C)n2/N=C/c2cccs2)c1 1874362614 NLUPFWKCMBFWNA-WGOQTCKBSA-N 446.645 6.225 30 10 IKEE CCSc1nnc(CCc2ccccc2C)n1/N=C/c1cc(Br)ccc1F 1874363348 ZWIDYNSXPMMHFD-YDZHTSKRSA-N 447.377 5.268 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3F)n2/N=C/c2ccccc2C)c1 1874373771 QJMMGBGMLRZONX-JVWAILMASA-N 430.552 5.799 30 10 IKEE Cc1ccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccc(C(=O)O)cc2)cc1 1874405387 VPVYBAMCBDRUES-WGOQTCKBSA-N 448.592 5.582 30 10 IKEE Fc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2cccc(F)c2)cc1 1874406196 DFUVAUPPHSPGCV-CVKSISIWSA-N 426.536 5.854 30 10 IKEE C(=N/n1c(CC2CCCCC2)nnc1SCc1cccc2ccccc12)\c1cccs1 1874409351 SGBRXRSMVBYUBK-YZSQISJMSA-N 446.645 6.790 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2ccc([N+](=O)[O-])cc2)cc1 1874425419 IFAUMKHGULRSEO-BUVRLJJBSA-N 429.505 5.336 30 10 IKEE CCCSc1nnc(-c2ccccc2)n1/N=C/c1ccc(OCc2ccccc2C)cc1 1874428843 FDOALGKRSLLEAF-OVVQPSECSA-N 442.588 6.217 30 10 IKEE C=C(C)CSc1nnc([C@H]2CCCO2)n1/N=C/c1ccc(OCc2ccccc2C)cc1 1874447179 UZDAJTXMRJCSDV-OJLHXUGZSA-N 448.592 5.567 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2ccccc2F)nnc1C(F)(F)F 1874461260 FKIYSKZTWRFYEB-BRJLIKDPSA-N 436.434 5.175 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccco3)n2/N=C/c2ccc(Cl)cc2Cl)cc1 1874464133 SSCXSWNQATXILM-WYMPLXKRSA-N 443.359 6.328 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccco3)n2/N=C/c2c[nH]c3ccccc23)cc1 1874467695 XFPMNHFYCGNDFK-DHRITJCHSA-N 433.924 5.847 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(-c2ccco2)n1/N=C/c1ccc(Cl)cc1 1874469823 YZHIQVKSAFUUDC-BHGWPJFGSA-N 447.322 6.159 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2ccc(Cl)cc2)c1 1874509164 OIAYUBLHFGIZFA-WYMPLXKRSA-N 441.988 5.285 30 10 IKEE CCOc1c(/C=N/n2cnnc2SCc2c(Cl)cccc2Cl)cccc1OC 1874539557 LHNAUTLOLJSWBC-AUEPDCJTSA-N 437.352 5.167 30 10 IKEE CCSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1/N=C/c1cccs1 1874540395 NDZDHWBQOWYEKK-CIAFOILYSA-N 441.409 5.652 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc3ccccc3c2)c1 1874571394 KTZIGJGKWBWJEC-BUHFOSPRSA-N 435.523 6.370 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCc2cccc(F)c2)c1 1874572499 QGBHFTQVLBFICB-MDZDMXLPSA-N 426.871 5.971 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccccc1Cl 1874574835 IFNUDKJLHXNXFB-CCEZHUSRSA-N 449.978 6.417 30 10 IKEE Cc1ccccc1COc1ccc(Br)cc1/C=C/C(=O)c1ccccc1Cl 1874575033 RKSROSUNHFZATJ-ZRDIBKRKSA-N 441.752 6.886 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(Cl)cc2/C=C/C(=O)c2ccccc2OC)o1 1874576787 GICMJXIODXGYOK-DHZHZOJOSA-N 440.879 5.593 30 10 IKEE CCOc1c(Br)cc(Br)cc1/C=C/C(=O)c1cccc(Cl)c1 1874577565 URVJTRHVROGHGL-VOTSOKGWSA-N 444.550 6.160 30 10 IKEE O=C(/C=C/c1c(OCc2ccccc2F)ccc2ccccc12)c1ccc2c(c1)OCCO2 1874582034 SKNNYQFMDVKIKB-VAWYXSNFSA-N 440.470 6.225 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(F)c(F)c2)c1 1874584908 HMTOHHYPOAWTRN-RMKNXTFCSA-N 441.861 5.840 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1c(OCc2ccccc2C)ccc2ccccc12 1874586177 ZJMODMZGTNMFTK-CCEZHUSRSA-N 436.551 7.249 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C)c(C)c2)c1OCC(=O)Nc1ccccc1C 1874588305 ZVCOBXXNEVFDKF-CCEZHUSRSA-N 429.516 5.534 30 10 IKEE CCN(CC)C(=O)COc1ccc(Br)cc1/C=C/C(=O)c1ccc(C)c(C)c1 1874588671 XXYJPBDWSAQUJW-PKNBQFBNSA-N 444.369 5.209 30 10 IKEE CCCN(CCC)C(=O)COc1ccccc1/C=C/C(=O)c1cc(Cl)cc(C)c1OC 1874588910 KUVPXNQDQLSRFJ-VAWYXSNFSA-N 443.971 5.581 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2OCC)o1 1874616714 OXGJGKZCNAYVAS-MDWZMJQESA-N 434.488 5.639 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc(Cl)c2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 1874621344 SVXXPRGTQJQFHO-QPJJXVBHSA-N 437.835 5.452 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2Cl)c1 1874631769 SXTPROWDGULAKQ-RMKNXTFCSA-N 447.962 6.487 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(C)c3)c([N+](=O)[O-])c2)c(OC)c1 1874632499 GXTSPMYPKYYSIW-YRNVUSSQSA-N 433.460 5.396 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OCc1ccccc1C 1874633125 MWUQMXNMHMSDFN-FYWRMAATSA-N 426.556 6.824 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874634580 JPASRLJHQJNCGR-KPKJPENVSA-N 427.327 6.786 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1Cl 1874637166 LSHGINVOIHKYRY-JXMROGBWSA-N 447.745 7.131 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(OC(=O)CC(C)C)c(OC)cc2Br)c1 1874695090 KGHMMDLRIMXYCP-CMDGGOBGSA-N 447.325 5.314 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)CSc3ccccc3)c2)c1 1874695172 NPYIGQPXJIBIPK-ACCUITESSA-N 434.513 5.298 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(OCC)cc3)c2)cc1 1874695801 SMNNNHSFIGCEJB-XDHOZWIPSA-N 428.528 6.543 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C)cc3C)c2)c1 1874702152 JKNJSDZJMXJCMK-FMIVXFBMSA-N 430.500 5.365 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OC(=O)c1[nH]c2ccc(C)cc2c1C 1874709329 BBRJFTQQXGBOAX-LFYBBSHMSA-N 443.474 6.048 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc(F)c(F)c3)ccc2OC)c1 1874709989 SJICDYVMZKXSGB-YRNVUSSQSA-N 438.426 5.487 30 10 IKEE COc1ccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C(C)C)cc3)c2)cc1 1874710006 OCKJHHSBRMARAP-RQZCQDPDSA-N 428.528 6.253 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1OC(=O)CCc1ccccc1 1874710495 DFQVUCIXVFGNJA-SDNWHVSQSA-N 442.555 6.363 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)c2cccc(Cl)c2)c([N+](=O)[O-])c1 1875119467 WEBKHDWOJNCNEM-PKNBQFBNSA-N 437.835 5.372 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3cccc(Cl)c3)cc2Cl)cc1 1875121597 XMTTXTOSZASXDU-PKNBQFBNSA-N 425.311 6.346 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)CCOc1ccccc1 1875142709 QGNMNRHXRTYIHI-UKTHLTGXSA-N 448.490 5.803 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)CCCSC)c(Cl)c2)c1 1875146029 ZURFPFNWOKASFZ-RMKNXTFCSA-N 434.941 5.302 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1 1875154148 QZTWUDFTBXBIJE-XDJHFCHBSA-N 436.507 6.283 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(F)c3)cc2Cl)c1 1875162000 RIEOMOZLZOVNRN-WEVVVXLNSA-N 440.873 6.279 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1ccc(F)cc1 1875170150 JSJZENFDXBMCHM-NTUHNPAUSA-N 446.518 6.573 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3cncc(C)c3)c([N+](=O)[O-])c2)cc1C 1875187877 IOAMYRORJLMXNK-FNORWQNLSA-N 446.459 5.039 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2c(F)cccc2Cl)cc1 1875192040 QYBDAPFVJVYXBD-YRNVUSSQSA-N 445.273 6.256 30 10 IKEE C=CCn1c(C(=O)N(CCCC)CCCC)cc2c(NCCCCCCCC)ncnc21 1875230400 XVNOYRMYUIENQU-UHFFFAOYSA-N 441.664 6.432 30 10 IKEE N[C@H](CC#CC1CCCCC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875648724 CQGONTARNIJBHI-MUUNZHRXSA-N 439.599 6.818 30 10 IKEE C=C(C[C@H](NCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)OC 1875649243 AKWWQJRZMBKQKG-LBNVMWSVSA-N 447.575 5.406 30 10 IKEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1cccc(Oc2ccccc2)c1 1891678095 IODWYVVXZGDBAI-UHFFFAOYSA-N 425.406 5.310 30 10 IKEE CCCCCCC[C@@](C)(CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 1927490267 DTZPZHUKMFYRCI-MHZLTWQESA-N 437.580 6.509 30 10 IKEE C=CCCCCC[C@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 1947487534 JIJKDDYOKTWOTF-RPWUZVMVSA-N 432.649 5.991 30 10 IKEE Cc1cc(C#N)cc([C@@H](CCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 1951866141 DHBIYFMYVMFDIH-RUZDIDTESA-N 440.499 5.311 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)C1(C#N)[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2 1953384116 XENQKSSIUONIAP-DQEYMECFSA-N 445.607 5.618 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)C1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1997637873 JTXANHMCSLEIKF-IAGOWNOFSA-N 449.617 5.270 30 10 IKEE CCc1ccc(N=C2NC(=O)C(=Cc3ccc(Sc4ccc(Cl)cc4)o3)S2)cc1 2040470357 VXRKAEJOVJUQQA-UHFFFAOYSA-N 440.977 6.538 30 10 IKEE C=C1C[C@@H]1C[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCCC 2040846171 JDVMGDMKFLOWEP-RPWUZVMVSA-N 441.660 5.270 30 10 IKEE C#CCCCC[C@H](NCCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2053263346 DSQPAGHSMKRKEV-IGKIAQTJSA-N 442.644 5.392 30 10 IKEE C=C1CC[C@H](O)CC1=CC=C1CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@@H](C)C=C[C@](C)(O)C(C)(C)O 2053621864 BPEQZNMKGFTMQE-TZWXRNKOSA-N 428.657 5.871 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 2074137381 ADUUIEZKSDBQBP-UQBPGWFLSA-N 449.636 6.018 30 10 IKEE Cc1ccc([C@H](n2nc(C3CCC3)c(C#N)c2I)C2(C)CC2)c(O)c1 2078999730 URIGHWKYGNIPSX-SFHVURJKSA-N 447.320 5.030 30 10 IKEE Cc1cc(C)c([C@@H](C(C)C)n2nc(C(C)C)c(C#N)c2I)cc1C 2079137945 FELHNOLLLWGDEV-LJQANCHMSA-N 435.353 5.653 30 10 IKEE CC[C@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)(F)F)c(CO)c1Br 2079843760 IRSUMDBHUINUDF-LLVKDONJSA-N 449.164 5.314 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)c(Cl)c1 2103300016 MXWUXAFMYVOYTO-ZWKOTPCHSA-N 443.813 5.450 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(C)(C)Nc1ccc(C#N)c(Br)c1F 2106000304 JYWXWFNJCHUXBH-CQSZACIVSA-N 426.330 5.050 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1Nc1cc(Br)c(C#N)cc1F 2106037963 HDYGYHOXEQCPAE-JKSUJKDBSA-N 426.330 5.098 30 10 IKEE N#Cc1cc(NC(=O)C2CC3(CC(OCc4ccccc4)C3)C2)ccc1Br 2160285365 GNSDLENPSHBYIW-UHFFFAOYSA-N 425.326 5.035 30 10 IKEE N#Cc1ncc(Br)cc1N[C@@H]1CN(Cc2ccccc2)C2(CCCCC2)C1 2167613630 NXERLYQYHHUMNL-IBGZPJMESA-N 425.374 5.105 30 10 IKEE CCOc1cc([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCC2)cc(Br)c1O 2187807140 VVXSOPJIMHPMSO-INIZCTEOSA-N 439.350 5.298 30 10 IKEE CC(C)(C)OC(=O)NC1(c2ccc(Nc3cc(Br)ccc3C#N)cc2)CC1 2206282877 ORZVURCEZUOMTG-UHFFFAOYSA-N 428.330 5.578 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)CCCCN(CC)C(=O)OC(C)(C)C 2235724783 GORJTKGCYMCBSI-IBGZPJMESA-N 437.422 5.206 30 10 IKEE CN[C@H](CC=CC#CC(C)(C)C)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2248472358 ABCBOBRFMUQKFY-MZYLBHOOSA-N 428.617 5.069 30 10 IKEE CC1(NC(=O)OCc2ccccc2)CCC(C#N)(Nc2ccc(Br)cc2)CC1 2258960970 NCRCWVLTDFIVEE-UHFFFAOYSA-N 442.357 5.382 30 10 IKEE CC(C)c1cc(Br)cc([C@H](C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)c1 2266017168 ILKFOLBFINNJBL-HNNXBMFYSA-N 435.284 5.937 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](CNc2c(Br)cccc2C#N)CC12CCC2 2285156427 QWLPEQLNRXTQGG-OAHLLOKOSA-N 434.378 5.302 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)C(C)(C)CCNC(=O)OC(C)(C)C 2296299846 ZUAAVADUJOIPCG-LJQANCHMSA-N 437.422 5.110 30 10 IKEE Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl 2296925676 UWMZZDQZVQILKT-NRFANRHFSA-N 448.862 5.183 30 10 IKEE CC(=NNc1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1)c1ccc(F)c(C)c1 2297730832 XBEKWRSLVQAXRD-UHFFFAOYSA-N 435.955 7.414 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccccc2Cl)c1)c1ccc(Br)cc1 2314429488 IKCXYLVHBDHHAT-UHFFFAOYSA-N 441.708 6.218 30 10 IKEE CN[C@@H](C#C[C@@H]1CC1(F)F)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2318518972 NIHIFAYOTBRABH-RPWUZVMVSA-N 433.498 5.764 30 10 IKEE CCOCCCN1COc2c(cc3c(c2C)OC(=Cc2ccc(Cl)c(Cl)c2)C3=O)C1 2322391587 ZGMZXMPYNWNKAV-UHFFFAOYSA-N 448.346 5.497 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc4c(c1)OCO4)C3=O)CN([C@@H]1CCCC[C@@H]1C)CO2 2322391649 LKHJUWMNFFEARM-MGPUTAFESA-N 433.504 5.071 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)cc(C)c3C2=O)c1 2322736714 KEQBGMLWEYQMOU-UHFFFAOYSA-N 442.511 6.137 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C(C)C)cc2)c1OCC(=O)NCc1ccccc1 2322738013 NJVLZXUCDKYIMF-UHFFFAOYSA-N 443.543 5.410 30 10 IKEE COC(=O)c1ccc(COc2cccc(C=CC(=O)c3ccc(-c4ccccc4)cc3)c2)o1 2323044265 ZYPVVVBODPZIDN-UHFFFAOYSA-N 438.479 6.208 30 10 IKEE Cc1cc(OC(=O)C(Cl)=Cc2ccccc2)cc2c1C(=O)C(=Cc1ccccc1F)O2 2323441121 ADXWZTNAORPRTK-UHFFFAOYSA-N 434.850 5.936 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1OCCCO 2323520566 GDVTXMXMIKTDLH-UHFFFAOYSA-N 429.727 5.703 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)cc(Cl)c1OCc1cccc(F)c1 2323635203 QHKZBALKMNFWFN-UHFFFAOYSA-N 440.898 6.362 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OCc1ccc(Cl)cc1 2323733480 SKIYPWZHIOAMIE-UHFFFAOYSA-N 428.862 6.492 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OCC(=O)Nc1cc(C)cc(C)c1 2323777383 CYDNNLQKDXFPGK-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE COc1ccccc1C=C1Oc2cc(OC(=O)c3cccc(OC(C)C)c3)ccc2C1=O 2323808023 RNFGCBRCHFXFQB-UHFFFAOYSA-N 430.456 5.318 30 10 IKEE Cc1c(OC(=O)c2cccc(OC(C)C)c2)ccc2c1OC(=Cc1ccccc1Cl)C2=O 2323812668 RCFCAAKDUXGHPH-UHFFFAOYSA-N 448.902 6.271 30 10 IKEE Cc1c(OC(=O)CCc2cccs2)ccc2c1OC(=Cc1ccc(C(C)C)cc1)C2=O 2323978953 POBJZQILWIAXNX-UHFFFAOYSA-N 432.541 6.334 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OCC(=O)NC2CCCCC2)c(Cl)c1 2323992443 POZKNIMYESBFEW-UHFFFAOYSA-N 441.955 5.381 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc3ccccc23)cc(OC)c1OCc1cccc(C)c1 2324141407 DNLHXIZTYUMJPK-UHFFFAOYSA-N 448.562 7.360 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OCc3ccccc3)c(Br)c2)c1C 2324345710 GRDWVVPRGOVQOB-UHFFFAOYSA-N 449.388 7.158 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc(OC)c1OCCc1ccccc1 2324363862 MGROXMDIXDYPOZ-UHFFFAOYSA-N 446.543 5.847 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2)cc2c1C(=O)C(=Cc1ccc(N(C)C)cc1)O2 2324406031 LJPIEBWOTOMLRD-SFHVURJKSA-N 442.515 5.083 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3)cc2)cc1Cl 2324422464 BPHIXUUPBFCHBM-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE C[C@H](Oc1ccc2c(c1)OC(=Cc1ccco1)C2=O)C(=O)Nc1cc(Cl)cc(Cl)c1 2324422588 ZPVWMTFYVMXDBU-LBPRGKRZSA-N 444.270 5.609 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OCC(=O)Nc1ccccc1C 2324567847 RQANBKNFRDYXGL-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)c(OC)cc2C)ccc1OCCc1ccccc1 2324644559 VHLLUTZQHSVTRE-UHFFFAOYSA-N 430.544 6.228 30 10 IKEE COc1ccc(C=C2Oc3cc(OCCCOc4ccc(OC)cc4)cc(C)c3C2=O)cc1 2324704130 XXKIDHPNCLYNSY-UHFFFAOYSA-N 446.499 5.476 30 10 IKEE CCCOc1c(Br)cc(C=CC(=O)c2cc(Cl)ccc2OC)cc1OC 2324705935 KPFVTDVOFJQCPW-UHFFFAOYSA-N 439.733 5.805 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OCc4ccc(C#N)cc4)c3C)C2=O)c1OC 2324757114 QZGLKPCJWXGHMK-UHFFFAOYSA-N 427.456 5.079 30 10 IKEE CCc1ccc(NC(=O)[C@H](CC)Oc2ccc3c(c2)OC(=Cc2ccccc2C)C3=O)cc1 2324816801 CWAUVQRSOHJFKQ-DEOSSOPVSA-N 441.527 5.970 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccc(Cl)cc4C)c3C)C2=O)cc1 2325716626 OQMVPXQIISYJQZ-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1ccccc1Cl)C2=O)Nc1ccccc1Cl 2325717804 PWQOVYCVAANDQX-UHFFFAOYSA-N 440.282 5.627 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc([N+](=O)[O-])cc1 2325722523 GTJMXXILXYGJPC-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE COc1ccc(CC(=O)Oc2cc(C=CC(=O)c3ccc(F)cc3F)ccc2OC)cc1 2325724878 QFWAGCGKJMYMDT-UHFFFAOYSA-N 438.426 5.026 30 10 IKEE COc1ccc(C(=O)Oc2cc(C=CC(=O)c3ccc(C(C)C)cc3)ccc2OC)cc1 2325750241 UIYVVXCMZSNAGU-UHFFFAOYSA-N 430.500 5.943 30 10 IKEE CCCSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1cccc(F)c1 2326339658 ATVAMNIULZRHPA-UHFFFAOYSA-N 426.561 5.376 30 10 IKEE CCCSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1cccc(OC)c1 2326339718 LLVGKVNDDPZZFK-UHFFFAOYSA-N 438.597 5.245 30 10 IKEE CCOc1cc(C=Nn2c(CC)nnc2SCc2c(F)cccc2Cl)ccc1OC 2326569902 SCLNWWZJVCWSHZ-UHFFFAOYSA-N 448.951 5.215 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2cccs2)n1N=Cc1ccccc1O 2329636068 PVOXVVSJARJKJY-UHFFFAOYSA-N 434.590 5.313 30 10 IKEE Clc1cccc(CSc2nnc(CCc3cccs3)n2N=Cc2ccccc2)c1 2329687407 LAWUXGUZYREFQE-UHFFFAOYSA-N 439.009 5.953 30 10 IKEE Cc1cccc(C=Nn2c(SCc3ccccc3C)nnc2[C@@H](C)c2ccccc2)c1 2330056447 JIBFDCLWOOQIBG-NRFANRHFSA-N 426.589 6.221 30 10 IKEE Cn1cc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccc(F)cc2)c2ccccc21 2330812563 FLTRMLGWMOTEJZ-UHFFFAOYSA-N 435.572 5.672 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)c1ccncc1 2330935206 HOLGJUKBZPMVFT-UHFFFAOYSA-N 442.298 5.902 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC(=O)C(F)(F)F 2331031608 DVQNWMGOQFHYRW-UHFFFAOYSA-N 443.761 5.011 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1 2331084279 OFWBFEHODPHRNV-UHFFFAOYSA-N 428.434 6.162 30 10 IKEE Fc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CCCC2)c(F)c1 2331092751 BVDVMTGJQCDVFD-UHFFFAOYSA-N 432.927 6.042 30 10 IKEE Fc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C(F)(F)F)c(F)c1 2331149776 PDGKRHWJEJFOSO-UHFFFAOYSA-N 448.420 5.903 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(Br)c3)cc2)c(C)c1 2331216003 NZQDOSIFXLMTQA-UHFFFAOYSA-N 435.317 6.181 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccs2)c(Cl)c1)c1ccc2c(c1)OCCO2 2331398809 NELNYWNGROELMI-UHFFFAOYSA-N 426.877 5.288 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)cc(OC)c1OC(=O)CC(C)(C)C 2331471985 XLMQSEJWRPVJIY-UHFFFAOYSA-N 432.516 6.095 30 10 IKEE Cc1ccc(C=Nn2c(CC(C)C)nnc2SCC(=O)Nc2ccc(C)cc2C)cc1 2331474320 XWRILSIFHQLUDG-UHFFFAOYSA-N 435.597 5.015 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3C)cc2)c(C)c1C 2331612311 FAMKXYUFDFJHHM-UHFFFAOYSA-N 428.528 6.055 30 10 IKEE Cc1cccc(CSc2nnc(C(C)C)n2N=Cc2cc(Br)ccc2O)c1 2331685631 WELJMFBNMFRWJL-UHFFFAOYSA-N 445.386 5.353 30 10 IKEE CCCOc1c(C=Nn2c(SCc3ccc(F)cc3)nnc2C2CC2)cccc1OC 2331726630 LMICLWVUDWACNR-UHFFFAOYSA-N 440.544 5.267 30 10 IKEE CCCC(=O)Oc1c(OCC)cc(C=CC(=O)c2c(C)cc(C)cc2C)cc1[N+](=O)[O-] 2331774095 LLFOQJRAKGJHTD-UHFFFAOYSA-N 425.481 5.520 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@@H]2/C=C/c1ccccc1 1409521 FOHXMBOUDUWYPM-DRUFCSCSSA-N 440.465 5.733 30 10 IKEE CCOC(=O)C1=C(Nc2cccc3ccccc23)S/C(=C\c2ccccc2OC)C1=O 6378681 RAYLBJICONGNLU-QNGOZBTKSA-N 431.513 5.392 30 10 IKEE C=CCN(C(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1)c1ccccc1 9433154 SNTCFGIOXNQWRE-DQEYMECFSA-N 444.600 5.904 30 10 IKEE COCCCN1C(=O)/C(=C\c2cccc(F)c2)S/C1=N/c1ccc(OC)c(Cl)c1 15910490 DDVLEDHVUAGQDR-LVKIEVKJSA-N 434.920 5.128 30 10 IKEE O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1cc(Cl)cc(Cl)c1O)c1c(O)n[nH]c1N2 18196357 SBOCGPAZOOCTHW-AYVTZFPOSA-N 448.331 5.147 30 10 IKEE CCCOc1c(OC)cccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(CC)cc1)C2 20883529 PTISLLUCHYMLES-CTNGQTDRSA-N 433.548 5.051 30 10 IKEE C=CCn1c(C)cc(C(=O)CSc2nnc(-c3ccoc3C)n2-c2ccccc2)c1C 21182552 FYSYKWYDCXDODF-UHFFFAOYSA-N 432.549 5.415 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2C(F)(F)F)cc1 21259913 GGKMICAREQAZDU-CRAIPNDOSA-N 429.438 5.108 30 10 IKEE CC(=O)/N=C1\NC(=O)/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)S1 33285995 JOTJXTUQXLFDJK-UFWORHAWSA-N 444.343 5.103 30 10 IKEE CCOc1c(Cl)cc(C(=O)c2c(C)c(C#N)c(=O)n(C3CCCCC3)c2O)cc1Cl 40522885 IVQPFDNTCPZNHM-UHFFFAOYSA-N 449.334 5.176 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)c4c(OC)cccc4OC)cc(C)c3C2=O)cc1 41290077 ZQGNVKVDYCYQAA-UCQKPKSFSA-N 444.483 5.410 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OCc4ccc(C(=O)OC)cc4)c3C)C2=O)cc1 41501989 YSSBFZSIGMRXCG-IWIPYMOSSA-N 428.484 5.539 30 10 IKEE Cc1ccc(CN2COc3cc(C)c4c(c3C2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C4=O)cc1 41648349 AJXUAFPIJVANNM-FMCGGJTJSA-N 442.471 5.180 30 10 IKEE CC(/C=C1\S/C(=N/N=C\c2ccccc2O)N(Cc2ccco2)C1=O)=C\c1ccccc1 47138142 DQGIMOIJYALVHJ-VNXZMMBDSA-N 443.528 5.438 30 10 IKEE COCCc1nc2scc(-c3ccc(C(C)C)cc3)c2c(=O)n1Cc1cccc(C#N)c1 96528441 OMDXZRQZGLZLKN-UHFFFAOYSA-N 443.572 5.357 30 10 IKEE Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C\c3cccc(C(F)(F)F)c3)cc2)cc1 97993200 BXHSEJWQNJEJHL-AUWJEWJLSA-N 445.462 5.711 30 10 IKEE CCCCCCCOc1cccc(NC(=O)[C@H](CC)Oc2ccccc2[C@@H](C)CC)c1 100260726 URNCFDVOIJJMDA-OFVILXPXSA-N 425.613 7.345 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1cccc(OCCOC)c1 100444064 GCOZZCGTUGVMON-UHFFFAOYSA-N 436.662 6.226 30 10 IKEE CCCCCCCCCCCn1c(CCCCCNC(=O)C2CC2)nc2ccccc21 102165210 UYYABHRBJPSSRT-UHFFFAOYSA-N 425.661 6.806 30 10 IKEE CCO/C(=N\C(=N/S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccc(C)cc1 104602614 TZCUUCVASQVFQS-DMSNGARESA-N 440.952 5.267 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(NC(=O)c4ccco4)cc3)n2)cc1 108978586 JPHBJBCSTWMQNX-LJQANCHMSA-N 443.484 5.154 30 10 IKEE CCCOc1ccccc1/C=N\n1c(CCC)nnc1SCc1ccc(Cl)cc1 135880392 LWNWNYDFWFZAOQ-IWIPYMOSSA-N 428.989 5.847 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1c1ccc(C)cc1 169944885 JMYCOGQVZVFHMQ-AREMUKBSSA-N 449.506 5.940 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(F)c(C)c2)=C(O)C(=O)N1c1ccccc1C 169946205 JMZKNTMOJZNECN-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@H]2c2cccc(C)c2)cc1 169967159 NCMPVRGBJVHMFK-VWLOTQADSA-N 441.527 5.345 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(OC(C)C)c1 169981075 MCIMVPHKCMVCIC-QFIPXVFZSA-N 441.955 5.896 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2C2CCCCC2)cc1 170031705 ZZPRVOOEWHHDAG-DEOSSOPVSA-N 445.515 5.743 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1c[nH]c2ccccc12 170075414 WKGPKRMGDSMVDB-RUZDIDTESA-N 447.494 5.741 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2sccc2C)cc1C 170105400 OHFVBHXOIKFNPD-FQEVSTJZSA-N 439.483 5.734 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(N(C)C)cc1 170128962 PHNMGRWLGFHBOJ-FQEVSTJZSA-N 447.362 5.438 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1cccc(C)c1 170140989 REWTWRTWUBUCEF-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccc2)cc1Cl 170224019 OWCGGWMUXNKJNA-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@@H]1c1ccc(Cl)cc1 170236817 SQNQNDCHUPBPKD-QFIPXVFZSA-N 439.939 5.434 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(F)cc2)cc1C 170238675 WYNIRSOOAVKISF-QHCPKHFHSA-N 449.453 5.455 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 170243805 JQPFGUCMNQCKMX-IBGZPJMESA-N 446.316 5.357 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccc2C)cc1 170271526 XRLMRVASCBATLW-RUZDIDTESA-N 441.527 5.875 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1c1ccccc1O 170271817 XWNMAKKIPCXSEV-RUZDIDTESA-N 435.479 5.637 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2ccc(F)cc2)o1 170299785 AAIZCIPSKSCZIN-QHCPKHFHSA-N 427.431 5.663 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1CCc1ccc(Cl)cc1 170425212 PIUSOUDMFNSAQQ-FQEVSTJZSA-N 437.948 5.531 30 10 IKEE COc1ccc2nc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@H]3c3cccc(C)c3)sc2c1 170461939 KTBVKYAPVVXDFJ-OAQYLSRUSA-N 436.533 5.129 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 170462642 JEALYUBPFVHBLD-HXUWFJFHSA-N 440.952 5.773 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(Cl)cc2C)ccc1O 170465084 XOAKWZBTTNPQFQ-HXUWFJFHSA-N 443.927 5.268 30 10 IKEE Cc1nc(Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc(-c2ccccc2)n1 170542361 YZYXYRQSJQIHDQ-UHFFFAOYSA-N 428.495 6.994 30 10 IKEE N#CCCn1cc(/C=C\C(=O)Nc2nnc(SCc3ccccc3)s2)c2ccccc21 212511704 UDRVMAISIICZCY-QXMHVHEDSA-N 445.573 5.351 30 10 IKEE Cc1ccc2c(c1)S/C(=C1\C[C@@H]3[C@@H]4CC[C@H]5CCCC[C@@]5(C)[C@@H]4CC[C@@]3(C)C1=O)S2 253578536 YMDSWPZYGHRYGY-JXJLQADASA-N 438.702 8.016 30 10 IKEE C=CCn1c(-c2ccc(C)cc2)c(NC(C)=O)sc1=Nc1cccc(C(F)(F)F)c1 254527124 CMYDKTBWKIVQDK-UHFFFAOYSA-N 431.483 5.921 30 10 IKEE CCCCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)SC1=Nc1ccc(F)cc1 254699254 MREGOTUAWRGDTP-KNOSKDQYSA-N 443.569 5.609 30 10 IKEE Cc1ccc(N2C(=O)C3(CCCCC3)[C@@H](N3CCCC3)C2=Nc2c(C)cc(C)cc2C)cc1 254737265 MHQBTGSCKXEFFD-SANMLTNESA-N 443.635 6.412 30 10 IKEE O=C(Oc1ccc(C=NNC(=S)Nc2ccccc2)cc1)c1cccc2ccccc12 254842474 KTXMQIHTBDFOMA-UHFFFAOYSA-N 425.513 5.380 30 10 IKEE COc1cc(/C=N\n2cnnc2SCc2ccc(F)cc2)ccc1OCc1ccccc1 526801633 XYROXIHJHKRJIJ-VYYCAZPPSA-N 448.523 5.179 30 10 IKEE CCCOc1ccc(/C=N\n2c(CCC)nnc2SCc2ccc(F)cc2)cc1OC 526803314 UVCQULZQKGLBKA-MYYYXRDXSA-N 442.560 5.342 30 10 IKEE CCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccccc2Cl)cc1OCC 526816755 MOPGLMKLJUXMID-OYKKKHCWSA-N 444.988 5.466 30 10 IKEE CCCCCCCCC[C@H](CCOC(=O)c1ccccc1)S(=O)(=O)Nc1ccccc1 585667970 CDVOMUMBOLPTFU-XMMPIXPASA-N 445.625 6.185 30 10 IKEE N#Cc1cccc(CN(c2cccc3ccccc23)S(=O)(=O)c2ccccc2Cl)c1 586225880 PAOOROVCMCGYAD-UHFFFAOYSA-N 432.932 5.760 30 10 IKEE C=CCCN(c1ccc(OCC)c(OCC)c1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586251019 DROZLXCJZHUNIE-UHFFFAOYSA-N 431.598 5.553 30 10 IKEE CC(C)(C)c1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2cccc(Cl)n2)cc1 586251395 NCOOKZSTSQQMSG-UHFFFAOYSA-N 439.968 5.300 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)c(F)c1)NCCC 721962487 ODAQRTWJOGHXNV-RTBURBONSA-N 443.401 5.358 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCC[C@H](NC(=O)OC(C)(C)C)C2)c1 724031101 WIYMJKFXNMADAP-UUOWRZLLSA-N 429.561 5.466 30 10 IKEE CC(C)(C)NC(=S)/C(=C(/O)c1ccc(C#N)cc1)[n+]1ccc(Cc2ccccc2)cc1 762441599 UXZAHNCDOOGBMT-UHFFFAOYSA-O 428.581 5.036 30 10 IKEE O=C1/C(=C\c2cccn2-c2ccccc2)SC(=Nc2ccccc2)N1Cc1ccccc1 1083931549 MHDNRHSNOVFZEB-QVHQMSOGSA-N 435.552 6.282 30 10 IKEE Cc1ccc(NC(=O)CCSc2n[nH]c(NN=Cc3cccc4ccccc34)n2)cc1C 1084144025 LFMDFFWQCHGXJV-UHFFFAOYSA-N 444.564 5.142 30 10 IKEE Cc1ccc(NC(=O)[C@@]23CC[C@@](C)(C(=NOC(=O)c4ccc(Cl)cc4)C2)C3(C)C)cc1 1772722284 CSKIRTNFWLXTSX-LOSJGSFVSA-N 438.955 6.016 30 10 IKEE Cc1cc2c(n1-c1ccc(Br)cc1)CC(C)(C)CC2=NOC(=O)c1ccco1 1772728343 ITNKYEVQPCILFS-UHFFFAOYSA-N 441.325 5.675 30 10 IKEE CC(/C=C1\SC(=NN=Cc2ccc(F)cc2)N(Cc2ccco2)C1=O)=C\c1ccccc1 1772758395 UJKPMUGWBHKUAV-FNDBNHCESA-N 445.519 5.872 30 10 IKEE Cc1cccc(OCCCCSc2nc(O)c(C#N)c(-c3ccccc3Cl)n2)c1 1860825109 NFBUASUXDNTTBL-UHFFFAOYSA-N 425.941 5.634 30 10 IKEE CCCCCCCCNC(=O)C(C)(C)NC(=O)CCCOc1ccc2ccccc2c1 1861696471 WSFOYGNKFNOTFG-UHFFFAOYSA-N 426.601 5.370 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 1862392777 GGWQFHYIFREKNP-KSFYIVLOSA-N 436.508 5.314 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccccc1[N+](=O)[O-] 1862419294 QJASWGCPSVAUHF-FQEVSTJZSA-N 444.434 5.032 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc3ccccc23)cc1 1862481200 ZFLJWIXTUADVJI-RUZDIDTESA-N 434.495 5.322 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc(N(C)C)cc2)cc1 1862532040 APOWZFZLSSZHLI-DVKBMCPXSA-N 446.591 5.472 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(OC)cc2)cc1 1862535152 AQBZJKJUSCWLNZ-DEOSSOPVSA-N 427.500 5.036 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(C(C)C)cc1 1862595744 PITWDMDJRTYESI-VWLOTQADSA-N 449.591 6.454 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1cccc(F)c1)c1cccc2ccccc12 1862649613 CEAFZFKBDKXMHS-XMMPIXPASA-N 438.458 5.152 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 1862668431 YTWXTJGKMHRCOP-HXUWFJFHSA-N 432.347 6.105 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1 1862675310 HIRBFSRETUFNGU-JOCHJYFZSA-N 441.499 5.176 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccccc1C 1862687082 GMBOGJSLPBXHPN-GBXCKJPGSA-N 435.564 5.941 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2ccccc2Cl)cc1 1862689675 WTFOVKUTQMNBGG-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccc(Cl)c1 1862725975 WFQAXPZPFJPGEC-QHCPKHFHSA-N 431.919 5.995 30 10 IKEE CSc1cccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(Cl)cc3)C2=O)c1 1862802139 XVDGIWFHVRLSLY-UHFFFAOYSA-N 445.931 5.330 30 10 IKEE Cc1cc(C2=C(Nc3ccccc3C#N)C(=O)N(c3cccc(Cl)c3)C2=O)ccc1F 1863088703 MDBGILOIIASVMF-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2Sc2ccccc2)=C(c2ccc(C)c(C)c2)C1=O 1863253371 GNFFQKAYRWALBV-UHFFFAOYSA-N 440.568 5.833 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccc(F)cc2)=C(c2ccc(Cl)cc2)C1=O 1863535461 GIAANXQHXWARLF-UHFFFAOYSA-N 442.962 5.709 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccco2)=C(c2ccc(OC)cc2)C1=O 1863672084 ALJICGAXVORGFB-UHFFFAOYSA-N 438.568 5.299 30 10 IKEE C=CCN1C(=O)C(N[C@@H](C)c2ccc(CC)cc2)=C(c2cc(Cl)ccc2Cl)C1=O 1863727394 PTTFWAFEQOECNO-AWEZNQCLSA-N 429.347 5.173 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H](C)CC)=C(c2cc(Cl)ccc2Cl)C1=O 1863730216 QYYITSGDGNMPDI-HNNXBMFYSA-N 425.400 5.822 30 10 IKEE COc1ccc(C#N)c(NC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)c1 1865929992 RELCQFOOLKTBJG-UHFFFAOYSA-N 445.357 5.425 30 10 IKEE CCCCCCCOc1cn(Cc2cccc(C)c2)c(CN(CCO)CCCC)cc1=O 1870413163 UGNOXDRBFMQJSV-UHFFFAOYSA-N 442.644 5.149 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OC(C)(C)C)c(=O)cc1CN1CCC(C)CC1 1870445413 CXKUCCHIIDFMRV-UHFFFAOYSA-N 448.648 5.161 30 10 IKEE CCCCCCCOc1cn(CC(C)C)c(CNc2ccc(N(CC)CC)cc2)cc1=O 1870831541 CYTLBYGMLFECTQ-UHFFFAOYSA-N 441.660 6.312 30 10 IKEE CCCCCCCOc1cn(CCCC)c(CNc2ccc(Cl)c(Cl)c2)cc1=O 1870831978 LAONGUDVHWFQSR-UHFFFAOYSA-N 439.427 6.917 30 10 IKEE C=CCn1cc(OCCOc2cccc(C)c2)c(=O)cc1CNc1ccccc1C(C)C 1871209851 PORHAEAENMRZGL-UHFFFAOYSA-N 432.564 5.536 30 10 IKEE COc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(Cc1cccc(Cl)c1)C3 1871348227 ZCFTZXPBMHFXTC-FMCGGJTJSA-N 447.918 5.625 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3c(ccc4c3CN(CCC3=CCCCC3)CO4)C2=O)cc1 1871349437 LYTYHVGKQZVCRC-QQXSKIMKSA-N 429.560 6.469 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2OC)C3=O)cc1 1871375441 LOULPCJJINKSPE-JLPGSUDCSA-N 444.483 5.167 30 10 IKEE CCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871379601 GGPYJFZFVQTCIA-NFOYZZEQSA-N 446.886 5.974 30 10 IKEE COc1ccc(OC)c(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)c1 1871380656 ZZOJOHGNYWWISB-DFXNZHSVSA-N 446.430 5.078 30 10 IKEE Cc1c(OC(=O)c2ccc(OCC(C)C)cc2)ccc2c1O/C(=C\c1cccs1)C2=O 1871382723 CLMZELHXGTXNHE-XKZIYDEJSA-N 434.513 5.927 30 10 IKEE CCN(CCc1ccncc1)Cc1c(O)ccc2c1O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871394140 GMEOQAMXCTUYFF-ONUIUJJFSA-N 442.559 5.591 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OCCCCOc3ccccc3C)cc(C)c2C1=O 1871405437 RFKZNJADSRZYNW-ONUIUJJFSA-N 444.527 6.166 30 10 IKEE CC(C)=C1Oc2cc(O[C@H](C)C(=O)Nc3cc(C(F)(F)F)ccc3Cl)ccc2C1=O 1871407075 MBGFFKRCNKTKJM-LLVKDONJSA-N 439.817 5.634 30 10 IKEE Cc1oc2cc(OCc3ccc(C#N)cc3)ccc2c(=O)c1-c1ccc(Br)cc1 1871417110 CBVRVNHKURSCQO-UHFFFAOYSA-N 446.300 5.982 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O)Nc1ccc(F)c(F)c1 1871440697 CFWSKTOFTWEWMV-HEYHWPDRSA-N 433.410 5.155 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(F)c(F)c2F)cc2c1C(=O)/C(=C/c1ccccc1)O2 1871443497 TZHGNIYBMMELFQ-GRSHGNNSSA-N 439.389 5.046 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCCC(=O)Nc3ccccc3)ccc2C1=O 1871446363 AEDJLYDMBIPGAE-JLPGSUDCSA-N 429.472 5.109 30 10 IKEE CCc1ccccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 1871459626 USXHTMYQJOAAQT-USQUCKOTSA-N 439.511 5.747 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 1871763295 YKFACHPYONBFMZ-QFIPXVFZSA-N 449.016 5.413 30 10 IKEE Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccccc3Cl)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1872764502 OPYSQJXRPQOPKG-AWEZNQCLSA-N 442.840 5.078 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccccc3OCC)n2)cc1 1872764960 CKULCUZZZLMQBT-HXUWFJFHSA-N 434.561 5.807 30 10 IKEE CC(C)c1ccc(O[C@H](C)C(=O)[C@H](C#N)c2nc(-c3cccc4ccccc34)cs2)cc1 1872775608 VNQLVPXMIYFYDS-KOSHJBKYSA-N 440.568 6.730 30 10 IKEE CC(C)c1ccccc1O[C@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc(F)c(F)c2)cs1 1872779388 IRRCHRRQSWJBHU-RHSMWYFYSA-N 426.488 5.855 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc1OC 1872780106 ZUCWLCLOFXGADQ-YCOJEUHLSA-N 440.471 5.385 30 10 IKEE COc1cc(OC)c(-c2csc([C@@H](C#N)C(=O)Cc3ccc(F)c(C)c3)n2)cc1Cl 1872782016 BEFXUPVWYXSAMJ-HNNXBMFYSA-N 444.915 5.347 30 10 IKEE N#C[C@H](C(=O)CN1CCc2ccccc2C1)c1nc(-c2ccccc2)c(-c2ccccc2)s1 1872799772 KJBGJNKPEFEKCS-XMMPIXPASA-N 449.579 5.712 30 10 IKEE CCCCCCCCN1C(=O)C(NCCc2ccc(Cl)cc2)=C(c2cccnc2)C1=O 1873073683 DUACKMFUKOBSMX-UHFFFAOYSA-N 439.987 5.008 30 10 IKEE C=CCN(CC=C)C(=O)c1ccc2nc(-c3cccc(OCc4ccc(F)cc4)c3)[nH]c2c1 1873503864 AWDOHLLGGRXLNE-UHFFFAOYSA-N 441.506 5.762 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccccc1Cl 1874230880 HLSAOKVRQLYQQF-FSJBWODESA-N 433.364 5.633 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccc(Cl)cc3)n2/N=C/c2ccncc2)cc1 1874262702 MGUTXCJFSZEKEH-VULFUBBASA-N 449.967 5.388 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SC)nnc2-c2ccccc2Cl)cc1OC 1874364937 BYEKBAQWEHIQRP-BUVRLJJBSA-N 444.988 5.780 30 10 IKEE Fc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2/N=C/c2ccccc2)cc1 1874381824 KOLLABOJXGDQOQ-CVKSISIWSA-N 436.943 5.836 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccco1 1874397616 DZXJEUOSRXVVGB-SQAVSUBZSA-N 440.931 5.990 30 10 IKEE C=C(C)CSc1nnc(Cc2ccccc2)n1/N=C/c1cccc(OC)c1OCCC 1874418091 YIDCJIZBDISHPK-PCLIKHOPSA-N 436.581 5.217 30 10 IKEE Oc1ccc(Cl)cc1/C=N/n1c(SCc2ccccc2)nnc1-c1cccs1 1874422391 JPBIOKUHPCHMAA-WSDLNYQXSA-N 426.954 5.540 30 10 IKEE Clc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2-c2ccccc2)cc1 1874428756 ZYLQHKRORCRCGF-AFUMVMLFSA-N 439.371 6.426 30 10 IKEE CC(C)Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1cn(C)c2ccccc12 1874488364 STDQOQPNEFPPHV-ZMOGYAJESA-N 448.552 5.051 30 10 IKEE COc1cccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CCC2)c1O 1874496933 LZSIXXDAYBTKGD-CVKSISIWSA-N 444.560 5.588 30 10 IKEE COCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccccc1Cl 1874505593 OZHLWVUTWBDUPH-LSFURLLWSA-N 425.316 5.045 30 10 IKEE CCN(Cc1ccccc1)c1ccc(/C=N/n2cnnc2SCc2ccccc2C)cc1 1874536065 KRRPEFJISMIABZ-OGLMXYFKSA-N 441.604 5.788 30 10 IKEE Cc1ccc(COc2ccc(/C=N/n3c(S)nnc3COCc3ccccc3)cc2)cc1 1874562839 VATGSKORJHQNJD-CVKSISIWSA-N 444.560 5.053 30 10 IKEE CCc1ccc(OCCCc2nnc(S)n2/N=C/c2ccc(Cl)c(Cl)c2)cc1 1874567996 BXGFQTIONFAETM-YDZHTSKRSA-N 435.380 5.330 30 10 IKEE CCCCOc1ccccc1/C=N/n1c(S)nnc1COc1ccc(Cl)c(C)c1 1874568363 UYROLNCDAFVYCI-YDZHTSKRSA-N 430.961 5.169 30 10 IKEE Sc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccc(Cl)cc1Cl 1874568599 HJDZFDIEOWRMGU-SSDVNMTOSA-N 441.771 5.421 30 10 IKEE Cc1ccc(C(=O)/C=C/c2c(OCC(=O)NC3CCCCC3)ccc3ccccc23)cc1 1874579217 BYYQTAVLISVJHZ-WUKNDPDISA-N 427.544 5.872 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(F)cc2)cc1C 1874583704 BMNHXXNOHHOUJU-IZZDOVSWSA-N 437.898 6.010 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cccc(OCc3c(Cl)cccc3Cl)c2)c(C)c1 1874600612 VBVXHXPHHCRXDQ-ZHACJKMWSA-N 425.355 7.394 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1cccc(OCC(=O)NC2CCCCC2)c1 1874600689 XZHKSKAZCVDDJV-VAWYXSNFSA-N 441.955 5.381 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(OC)c(OCC(=O)OCCC)c(OC)c2)cc1 1874606533 SZMWPZANPZHKPX-SDNWHVSQSA-N 440.536 5.275 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OCc1ccccc1 1874623966 FHKLITKBLIWQLE-XNTDXEJSSA-N 434.963 7.337 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)cc2)o1 1874629188 QDPUDJCHHCEVIX-UKTHLTGXSA-N 432.516 6.165 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1Cl 1874636711 OKOOYPROXJZHJC-BJMVGYQFSA-N 443.326 6.486 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1OC(=O)CCc1ccccc1C 1874704486 RBFFAXWWUDZBKN-JLHYYAGUSA-N 444.527 5.755 30 10 IKEE CCCCCCCCC(=O)N1[C@H](C(C)(C)C)CSc2nnc(-c3ccccc3Cl)n21 1875003445 ACPWKNIRBBOILN-IBGZPJMESA-N 449.064 6.334 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4ccccc4c3)cc2)c1 1875095038 VPQKHMKWWYOJFZ-NTEUORMPSA-N 438.479 5.972 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1cc(C)cc(C)c1 1875116292 UOZGCXMIVYQVGV-VZUCSPMQSA-N 445.471 5.726 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)[C@H]1C[C@@H]1c1ccccc1Cl 1875129051 IQKVDISIVOSQPM-DYEAYBGSSA-N 432.903 5.954 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2)cc1 1875137903 KILHKEDRNPEJOS-CXUHLZMHSA-N 430.500 5.583 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(N(C)C)cc3)c(Cl)c2)cc1 1875155302 BFMFZMWJQMZFAH-PJQLUOCWSA-N 447.962 6.645 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc([N+](=O)[O-])c1OC(C)=O 1875161070 WWMVBETUKICOED-CSKARUKUSA-N 441.480 5.121 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])c(Cl)c1)c1ccc(F)c(F)c1 1875162208 CFDJAVDRGBZJGW-WEVVVXLNSA-N 443.789 5.642 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(CC)cc3)cc2)c1 1875171998 YLGNDKCCJNBVQB-GZTJUZNOSA-N 444.527 6.162 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(C)=O)c(Br)c2)c1 1875172047 ASRFOFIZKCAXIE-RMKNXTFCSA-N 433.298 5.068 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3Cl)c([N+](=O)[O-])c2)cc1C 1875174661 CIGSRDMTUPJKJY-DHZHZOJOSA-N 449.890 5.909 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc([N+](=O)[O-])c1OC(=O)CC(C)(C)C 1875174989 TXUDHFVONGDSGL-PKNBQFBNSA-N 439.508 5.848 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1Cl 1875175587 XDRGQZUEKGQDBD-FMIVXFBMSA-N 434.919 6.010 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@H](C#N)[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 1880391778 QASOVNWDKHFAOE-PMACEKPBSA-N 443.588 5.351 30 10 IKEE C=C(COCc1ccccc1)[C@@H](N)[C@@H](O)c1ccc(-c2ccccc2Br)s1 1922066145 ROWNHICLXNWPNM-YADHBBJMSA-N 444.394 5.311 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(C)CCCC[C@H]1NC(=O)OC(C)(C)C 1922103357 MEHOYNONIWXIDX-MVERNJQCSA-N 430.633 5.601 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1926492686 LYXFKENMWJQHQH-NYHFZMIOSA-N 435.952 5.231 30 10 IKEE Cc1cc(Br)c(F)c([C@@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)c1 1927528378 LFIGEHAMFLXPEJ-GOSISDBHSA-N 433.321 5.899 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1929535720 RLADQCKNULZYRB-DVECYGJZSA-N 429.561 5.153 30 10 IKEE CC[C@H](NC(=O)OC(C)(C)C)[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1936068222 YDQAAENDBXBYEU-JTSKRJEESA-N 437.968 5.667 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CN(Cc2ccccc2)C2(CCCCC2)C1 1950346402 DRIZDJNYTVIKRS-HFZDXXHNSA-N 425.617 5.893 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C)([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 2022136320 TWJLMECEDSZGSN-FDDCHVKYSA-N 433.524 5.106 30 10 IKEE CC(C)[C@H](C)N(Cc1ccccc1)c1ncc(B2OC(C)(C)C(C)(C)O2)c2ccsc12 2052608932 OUBZWAATXNGVHQ-SFHVURJKSA-N 436.430 5.647 30 10 IKEE Cc1ccc(C=CC(=O)c2c(O)nc3ccc(Br)cc3c2-c2ccccc2)o1 2053472057 XLGJFDCEFSNHSL-UHFFFAOYSA-N 434.289 6.167 30 10 IKEE Cc1cc(C)c([C@@H](n2nc(C(F)(F)F)c(C#N)c2Br)C2(C)CC2)c(C)c1 2079844661 OBTOALAUEUCTDK-MRXNPFEDSA-N 426.280 5.851 30 10 IKEE Fc1cc(C(F)(F)F)ccc1-c1c(C(F)F)nn(C(F)(F)F)c1Br 2080750747 CEXMKVSWLCOGRS-UHFFFAOYSA-N 427.064 5.884 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)c(Cl)c1 2103300368 OTAVNNRYAVDGQU-MSOLQXFVSA-N 443.813 5.450 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CC[C@H](P(C)(C)=O)C1 2104501438 UMNNQRNCMBYQAQ-LPHOPBHVSA-N 441.306 5.628 30 10 IKEE CC(C)(C)NCC1(CCC#CBr)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2114273978 IEMINNKGUSTQKV-QRTHJKPMSA-N 427.427 5.059 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cccc(Br)c1C 2138851572 LARMGLLBJVGJQU-MOPGFXCFSA-N 425.411 5.658 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1cccn2ccnc12 2151632720 BFDRIEDZPVFWIT-QGZVFWFLSA-N 427.302 5.103 30 10 IKEE CC(C)(C)OC(=O)N1CCCc2ccc(Nc3cccc(Br)c3C#N)cc21 2162423987 USJHMBIMZDSKGG-UHFFFAOYSA-N 428.330 5.752 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H](Nc2cc(Br)cc(F)c2C#N)CC12CCCC2 2163690585 VXSLHMAZWLVLNH-AWEZNQCLSA-N 438.341 5.194 30 10 IKEE CC1(C)C[C@@H](CNc2cc(Br)c(C#N)cc2F)CN(C(=O)OC(C)(C)C)C1 2172554989 UDYHNQRKFAESLA-ZDUSSCGKSA-N 440.357 5.155 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](CNc2ccc(Br)cc2C#N)CC12CCC2 2176862175 FUDXACYQOVGSJE-OAHLLOKOSA-N 434.378 5.302 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCCC)c2cc(Br)ccc2F)C1 2183006583 OQJDGTOMAKDKQM-GOSISDBHSA-N 441.385 5.490 30 10 IKEE Cc1cc(Oc2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)c(C)cc1Cl 2193338215 WXRVLRHUISYHSF-UHFFFAOYSA-N 438.558 5.206 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)C1(C#N)[C@H]2CC[C@H]3C[C@H]2CC[C@H]31 2205250864 WDGQIARCXBMBBD-WKLPCMBPSA-N 431.374 5.909 30 10 IKEE CC#CCCCC[C@@H](NC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237412353 OELAIMWMWVBEFJ-UXHICEINSA-N 437.422 5.057 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@H](NC(=O)OCc1ccccc1)c1ccccc1 2243597664 YTQQSAKELTYNSI-RRPNLBNLSA-N 444.575 5.405 30 10 IKEE CN[C@@H](C#Cc1ccccc1Cl)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2245951039 RCGQMHXNMQSOSA-JOCHJYFZSA-N 426.988 5.497 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)C(C)(C)C)cc1Cl 2255543532 KNEUDNZBIWBHHX-UHFFFAOYSA-N 441.808 5.389 30 10 IKEE CCN[C@@H](C#Cc1cccc(Br)c1)C1(C)CCN(Cc2ccccc2)CC1 2296223639 BXBGDYUFQUBTDP-QHCPKHFHSA-N 425.414 5.081 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)CC1(NC(=O)OC(C)(C)C)CCCC1 2296271440 DOADRSFQIFIKAZ-LJQANCHMSA-N 435.406 5.006 30 10 IKEE CC(C)(C)OC(=O)NC1(CCC(=O)C#Cc2ccc(Br)cc2)CCCCC1 2296276273 GDSAPDJTUYTBOX-UHFFFAOYSA-N 434.374 5.378 30 10 IKEE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)SC1=S 2296707912 XTVKCSWGBRAPIZ-UHFFFAOYSA-N 447.585 5.244 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(Br)c2)C3=O)cc1 2314437880 ZFZPECINWGIAED-UHFFFAOYSA-N 435.273 5.593 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)C=Cc2ccc(Cl)cc2)nc2c(C)cccc12 2320450725 KZWNXMBRPWTVPV-UHFFFAOYSA-N 427.895 5.214 30 10 IKEE C=Cc1ccc(COc2ccc3c(c2C)OC(=Cc2cn(CC)c4ccccc24)C3=O)cc1 2321869633 ZHHZOLAYNMYDIQ-UHFFFAOYSA-N 435.523 6.808 30 10 IKEE COc1cc(OC)c(OC)cc1C=C1Oc2cc(OCc3cccc(F)c3)ccc2C1=O 2321885966 WJXFZGBMFRYQED-UHFFFAOYSA-N 436.435 5.047 30 10 IKEE CC(C)(C)c1nnc(S)n1N=Cc1ccccc1OCc1ccc(Br)cc1 2321908641 VHQPBRCMXCSJAT-UHFFFAOYSA-N 445.386 5.088 30 10 IKEE CCCCCOc1ccc(C=Nn2c(S)nnc2-c2ccccc2Cl)cc1OC 2321990942 IBRVWJNYQRQKDF-UHFFFAOYSA-N 430.961 5.347 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccccc1Cl)O3)CN([C@@H](C)c1ccccc1)CO2 2322092347 KQMUGXXQBPHFDM-KRWDZBQOSA-N 431.919 6.178 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(Br)cc2)c1OCc1cccc(C)c1 2322430187 NELGSVZGMJAMSN-UHFFFAOYSA-N 437.333 6.241 30 10 IKEE O=C(COc1ccc2ccccc2c1C=CC(=O)c1ccc(F)cc1F)Nc1ccccc1 2322498599 NTABWFJNNPSCJQ-UHFFFAOYSA-N 443.449 6.032 30 10 IKEE Cc1ccc(C(=O)C=Cc2c(OCc3nc(O)c4ccccc4n3)ccc3ccccc23)cc1 2322586336 IOGIBKHSZFJDRP-UHFFFAOYSA-N 446.506 6.272 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(OC(=O)Cc4cccs4)c3C)C2=O)c2ccccc21 2322864063 YWOQWQMWCBQOPD-UHFFFAOYSA-N 443.524 5.795 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C)c(C)c2)c1OCC(=O)Nc1cc(C)cc(C)c1 2322901024 HMAGURVGXDHQBC-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3c(C)cccc3C)c2)cc1 2323076329 QGWZPVGHDLNVSH-UHFFFAOYSA-N 441.571 6.560 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 2323076345 USJNYEPQYVDCPW-UHFFFAOYSA-N 439.382 7.811 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)c(Br)c1OCCCO 2323208221 QVUIEVYRBZQOAO-UHFFFAOYSA-N 433.342 5.238 30 10 IKEE Cc1cc(C(=O)Oc2ccc3c(c2C)OC(=CC=Cc2ccccc2)C3=O)ccc1[N+](=O)[O-] 2323280097 NVMABJXADNRTKF-UHFFFAOYSA-N 441.439 5.603 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3C)C2=O)cc1 2323332201 HGXWASSXWJCMHM-UHFFFAOYSA-N 443.455 5.609 30 10 IKEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1cccc(C)c1 2323370829 YACKCQAIYDETDD-UHFFFAOYSA-N 433.460 5.396 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Br)c2)ccc1OCc1cccc(C)c1 2323673122 AKFVUQMFBJAGIE-UHFFFAOYSA-N 437.333 6.241 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1Cl 2323720680 WFVBDKMUHQCSJJ-UHFFFAOYSA-N 435.898 5.542 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2Cl)c1 2323854770 YOMMDYQEGZDCTK-UHFFFAOYSA-N 447.962 6.487 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C 2323915144 WVGZIVJLKSUTFL-UHFFFAOYSA-N 443.543 5.924 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc(O)c2CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)C1=O 2324097521 LPIGZJGZTHQJIS-CLYVBNDRSA-N 433.548 5.418 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OCc1cc(C)ccc1C 2324151980 OFLYLPZFLPBKMN-UHFFFAOYSA-N 448.990 7.564 30 10 IKEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3cc(C(C)C)c(OC)cc3C)cc2)o1 2324261914 UQKCXYMXZMVKRW-UHFFFAOYSA-N 448.515 5.982 30 10 IKEE COc1ccc(C=C2Oc3cc(OCCCc4ccccc4)cc(C)c3C2=O)c(OC)c1 2324269570 WLIAUYDRSDZVBL-UHFFFAOYSA-N 430.500 5.640 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)ccc1OCc1ccccc1C 2324522216 FHQAPDMXHXXDHP-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C(C)=O)cc4)ccc3C2=O)cc1 2324982725 USCQJFTYANPLHQ-UHFFFAOYSA-N 441.483 5.085 30 10 IKEE O=C1C(=Cc2cccc(F)c2)Oc2cc(OCc3c(Cl)ccc(Cl)c3Cl)ccc21 2325168615 NMECVUADIKZKAA-UHFFFAOYSA-N 449.692 6.981 30 10 IKEE CCOc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(-c4ccccc4)cc3)c2)cc1 2325669249 CNDAHRDITHWLDX-UHFFFAOYSA-N 448.518 6.868 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(Cl)c(Cl)c3)c2)cc1 2325705508 SOWZADJFTDUCCN-UHFFFAOYSA-N 425.311 6.671 30 10 IKEE O=C(COc1cc(F)ccc1F)Oc1cccc(C=CC(=O)c2ccc(F)cc2F)c1 2325726453 WXYRIAXHEWYLQQ-UHFFFAOYSA-N 430.353 5.124 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(CC)cc3)c2)c(OCC)c1 2325762955 PZDUNXSWHWYHFU-UHFFFAOYSA-N 444.527 6.162 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OC(=O)[C@@H](C)c1ccccc1 2325764397 ISGSJAALUGPYGA-NRFANRHFSA-N 428.528 6.226 30 10 IKEE CCOc1cccc(C(=O)Oc2cccc(C=CC(=O)c3cc(Cl)ccc3OC)c2)c1 2325783467 LMQUFQMQCVARIC-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1ccccc1C 2325909972 GATQPNDLIBWEGC-UHFFFAOYSA-N 435.380 5.857 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1ccc(OCCC)cc1 2326417806 ITSXGUDCWAEGHX-UHFFFAOYSA-N 436.625 6.201 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3cccc(C)c3)n2N=Cc2cccs2)cc1 2328564545 PBAQMVLJNBSCLX-UHFFFAOYSA-N 448.617 5.812 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2ccc(F)cc2)cc1 2329277962 PCYAASKSOMIJGA-UHFFFAOYSA-N 432.524 5.191 30 10 IKEE Fc1ccccc1C=Nn1c(Cc2ccccc2F)nnc1SCc1ccccc1F 2329745756 AZDWXYVSOYCTMA-UHFFFAOYSA-N 438.478 5.461 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(F)cc3)n2N=Cc2cccc(C)c2)cc1 2329796314 ZYFNGDIOCHDMAA-UHFFFAOYSA-N 430.552 5.799 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2cccc(F)c2)n1N=Cc1ccccc1F 2330078436 AZBACLSXAKIYLH-QGZVFWFLSA-N 434.515 5.883 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccccc3F)nnc2[C@@H](C)c2ccccc2)c1 2330104963 RVMRHRPHHXBOSW-SFHVURJKSA-N 446.551 5.752 30 10 IKEE Oc1cccc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccc(Cl)cc2)c1 2330282987 LBGNZSJHTSIDOI-UHFFFAOYSA-N 441.000 5.934 30 10 IKEE Fc1ccc(CSc2nnc(Cc3cccs3)n2N=Cc2ccccc2Cl)cc1 2330342336 HQYMIKRHJTWTPB-UHFFFAOYSA-N 442.972 5.897 30 10 IKEE Cc1ccc(C=Nn2c(SCC(=O)Nc3ccc(C)cc3)nnc2-c2cccs2)cc1 2330551674 GJKIDCGQPIOXGW-UHFFFAOYSA-N 447.589 5.236 30 10 IKEE COc1ccc(OC)c(C=Nn2c(SCc3ccccc3C)nnc2-c2ccccc2)c1 2330636154 MRHZZTGFPICBLC-UHFFFAOYSA-N 444.560 5.445 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)cc3F)c(OC)c2)cc1 2330769963 KDICDUBMFYZVBN-UHFFFAOYSA-N 436.454 5.580 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc2c(c1)OCO2 2330805313 NZCJSJJBVKCLCH-UHFFFAOYSA-N 441.266 5.837 30 10 IKEE CCc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccc(Cl)cc2)cc1 2330867425 OTLGZMOZHZJFKX-UHFFFAOYSA-N 427.017 6.257 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)cc3)cc2Cl)cc1 2330961587 RETDSJBIELPZOL-UHFFFAOYSA-N 448.946 6.345 30 10 IKEE Cc1ccccc1CSc1nnc(C2CCCC2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2331030200 GMJUNMADNZXCID-UHFFFAOYSA-N 437.525 5.032 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccccc1Cl 2331136142 QYQATRJFWRLGLZ-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)CC(C)(C)C 2331156126 RGRXJEVFXYFJGS-UHFFFAOYSA-N 426.940 6.315 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](CCCC)NC(=O)C=Cc1ccc(OCc2ccccc2)cc1 2331163351 ZRIGJTILEMMHGL-AREMUKBSSA-N 446.591 5.154 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1 2331239987 BZZCJWSBPMOSMV-UHFFFAOYSA-N 433.375 7.546 30 10 IKEE COc1ccc(C(=O)Oc2c(Cl)cc(C=CC(=O)c3ccc(C)cc3)cc2OC)cc1 2331255978 LQYDWDDDCFWWLP-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)c3cc4ccccc4n3C)c(Cl)c2)c1 2331320173 SUUXXGRNSUDPDX-UHFFFAOYSA-N 443.930 6.564 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(F)c(C)c2)cc1OCC 2331341727 ONAMVSJXLUMFQD-UHFFFAOYSA-N 446.946 6.958 30 10 IKEE CCOc1c(C=Nn2c(SCc3cccc(F)c3)nnc2C(C)(C)C)cccc1OC 2331382760 FGUQZAQQLGWEAL-UHFFFAOYSA-N 442.560 5.297 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(F)c2)ccc1OC(=O)CCc1ccccc1 2331464011 PJPMIUPMOIPLTL-UHFFFAOYSA-N 448.490 5.667 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1cccc(Cl)c1 2331566119 HOXPRCAKQIDKEK-UHFFFAOYSA-N 442.845 6.132 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)COc2cccc(C)c2C)cc1 2331659326 JEUVAHJYNQQTNH-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE COc1cc(C=Nn2c(SCc3ccc(C)cc3)nnc2C2CC2)ccc1OC(C)C 2331717226 IWVRLRGNLKBYLC-UHFFFAOYSA-N 436.581 5.434 30 10 IKEE COC(=O)c1nc(-c2ccc(C)cc2)oc1NN=Cc1cccc(Oc2ccccc2)c1 2331937644 LVNUJJYJVQYSOL-UHFFFAOYSA-N 427.460 5.675 30 10 IKEE Cc1cc(I)c(Oc2ncc(Br)cc2C#N)cc1Cl 2336543573 LHTIDHIZUPVYDU-UHFFFAOYSA-N 449.473 5.075 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)[C@@H]1C[C@H]1C1CCCCC1 2357746524 XRKQTACOADNWGV-QKLQHJQFSA-N 433.390 6.299 30 10 IKEE N#Cc1cc(F)c(Nc2ccc(Cl)c(Br)c2Cl)cc1Br 2362190311 CMADVEQDIOTGHK-UHFFFAOYSA-N 438.909 6.273 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2c(Cl)ccc(Cl)c2Cl)c1 2364579477 AYNFUBVEQDRKCQ-INIZCTEOSA-N 425.743 6.962 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H](Nc2cc(Br)ccc2C#N)[C@@H]1C(F)(F)F 2370056230 DECDYMRZDLXFQI-UKRRQHHQSA-N 448.283 5.063 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C/c2ccc(-c4ccccc4)cc2)C3=O)cc1 2420228 FPHSGYSTLOCTAV-WPWMEQJKSA-N 448.474 6.198 30 10 IKEE COc1ccc(Nc2nc(N/N=C/C=C/c3ccccc3)nc(Nc3ccccc3)n2)cc1 3660089 AROHLYUXTQFJPZ-QJBYRTJNSA-N 437.507 5.479 30 10 IKEE O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)C(F)(F)C(F)(F)C(F)(F)F 13953463 DWLCHVKTHOAAEH-UHFFFAOYSA-N 441.155 5.888 30 10 IKEE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)Nc1cc(Cl)ccc1Cl 14092508 YLULEWRQLYGZRB-UHFFFAOYSA-N 447.391 5.287 30 10 IKEE Cc1cccc(C2C3=C(C[C@H](c4ccco4)CC3=O)NC3=C2C(=O)C[C@H](c2ccco2)C3)c1 19629699 LUOONSUCHMOYNB-ULZZTYQWSA-N 439.511 5.669 30 10 IKEE C=CCc1ccccc1OCCCCn1c(CCCCCNC(C)=O)nc2ccccc21 35146704 BPQIQTLXAVTTIF-UHFFFAOYSA-N 433.596 5.473 30 10 IKEE C=CCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@@H]1c1cccc(Br)c1 39913377 LAJMFZNCYRIFJW-SFHVURJKSA-N 444.712 5.249 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccc(Cl)cc1 40080961 XDOKVZAZPICRFE-JOCHJYFZSA-N 441.955 5.753 30 10 IKEE CCn1cc(/C=C2\Oc3c(ccc4c3CN(Cc3ccco3)CO4)C2=O)c2ccccc21 41662150 LHFVZJVVDBTVPN-MSXFZWOLSA-N 426.472 5.223 30 10 IKEE C=CC[C@@H](Sc1nc(-c2ccc(Br)cc2)n(CC=C)n1)c1ccccc1 72264411 QEMMIEQIZLCUEY-LJQANCHMSA-N 426.383 6.303 30 10 IKEE C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@@H]2CC[C@@H]3[C@@H](C)/C=C/[C@@H](C)C(C)(C)O)C[C@H](O)C[C@@H]1O 96030318 ZGLHBRQAEXKACO-ODBQQZSBSA-N 428.657 5.727 30 10 IKEE CCCCCCCOc1ccc(NCCNc2ccc(OCCCCCC)cc2)cc1 100054184 AJRMRUPAPAIISC-UHFFFAOYSA-N 426.645 7.519 30 10 IKEE Cc1ccc(N2C(=O)/C(=C/Nc3sc4c(c3C#N)CCC4)c3ccccc3C2=O)cc1C 105323247 NUSQONFVJCOGOE-HYARGMPZSA-N 439.540 5.365 30 10 IKEE CC(C)COc1c(Cl)cc(/C=N\n2c(S)nnc2C2CCCCC2)cc1Cl 169910105 FRSNTGYSJGFXLW-YVNNLAQVSA-N 427.401 5.838 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc(C)cc2)=C(O)C(=O)N1c1ccc(C)cc1C 169945262 QHXDMUKHBKLPHN-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccc(N(C)C)cc2)c1 169952981 MQQIHAKNFCDBBC-XMMPIXPASA-N 444.506 5.291 30 10 IKEE CCCCCCCCN1C(=O)C(Sc2ccc(Cl)cc2)=C(c2ccccc2)C1=O 170042223 XEZUVWVGYKTSJO-UHFFFAOYSA-N 427.997 6.573 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(F)ccc3OC)[C@H]2c2ccccc2)c1 170047722 FWVDJAPNEJZISX-HSZRJFAPSA-N 447.462 5.016 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)[C@@H]2c2ccccc2)cc1C 170053662 NBQQINLVJVQNNI-RUZDIDTESA-N 441.527 5.874 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccc(F)cc2)cc1 170062480 YFLKNDOOELOAQU-DEOSSOPVSA-N 445.490 5.624 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@H]1c1ccc(F)cc1 170062655 ZTENZHMBARTDLI-QHCPKHFHSA-N 449.453 5.373 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1)c1cccc(Cl)c1 170063176 RIVQGLQFBRUXOT-FQEVSTJZSA-N 442.273 5.915 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)C)cc2)[C@@H]1c1cccc(O)c1 170079285 SEORGZJBNMQLGB-XMMPIXPASA-N 443.499 5.307 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@H]1c1cccc(OC(C)C)c1 170153240 RUMRSXGPJJMVMU-XMMPIXPASA-N 449.547 5.177 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccs1 170155030 YDCCNUSLZDHVOV-QGZVFWFLSA-N 440.348 5.058 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)c(OC)cc3C)[C@H]2c2cccs2)cc1 170157863 GIFWSWXWHCAGSN-JOCHJYFZSA-N 449.528 5.165 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2O)[C@@H]1c1cccs1 170160283 ATUSBZFILWMFKZ-OAQYLSRUSA-N 449.528 5.170 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@H]1c1cccc2ccccc12 170221253 SACAMTTXQSAOTO-XMMPIXPASA-N 429.516 5.454 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2)ccc1OC(C)C 170221876 WIANYDQJBAZYPQ-QHCPKHFHSA-N 447.556 5.622 30 10 IKEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@H]1c1ccccc1)c1cccc2ccccc12 170234622 HCIWDTFIJMQEJN-DEOSSOPVSA-N 445.478 5.499 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@@H]1c1ccc(Cl)cc1 170236304 WAXHCULFLDKKMJ-NRFANRHFSA-N 441.955 5.634 30 10 IKEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(C(C)C)cc1 170244468 NJQUGFYNKHXBOF-HXUWFJFHSA-N 448.346 5.342 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)cc(Cl)c2OC)[C@@H]1c1ccc(CC)cc1 170267883 OVOFZVXJXCXTMZ-IBGZPJMESA-N 448.346 5.553 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(OC)c3)[C@H]2c2ccco2)cc1 170283184 SFXPZSFEADIWQL-OAQYLSRUSA-N 437.879 5.287 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccco2)cc1Cl 170284949 GZJCJLFPIXVLFX-NRFANRHFSA-N 437.879 5.341 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccc(C)o2)cc1 170300572 JIBNOMTUYZMMLO-QHCPKHFHSA-N 426.472 5.415 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@H]2c2ccc(C)o2)cc1 170303918 JSCZFEQARWTSRU-XMMPIXPASA-N 445.515 5.775 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccc(F)cc2)o1 170311246 PZHFXMLWFIVMTM-HXUWFJFHSA-N 425.843 5.159 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3c(c2)CCCO3)=C(O)C(=O)N1c1ccc(F)cc1 170314053 LAEAAAGYGSSTJL-OAQYLSRUSA-N 449.503 5.304 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2sccc2C)cc1 170315310 MKAJASBFLXMCAP-NRFANRHFSA-N 431.513 5.083 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1cccc(OCCC)c1 170323258 JYMKFPCRIDBYSH-HSZRJFAPSA-N 432.520 5.335 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(C(C)C)cc2)c1 170377965 ZDYNTABDCCWMBP-RUZDIDTESA-N 441.527 5.992 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Nc3ccccc3)cc2)[C@H]1c1ccco1)c1cccs1 170400408 LSBJHCXRTZFLBY-QFIPXVFZSA-N 442.496 5.868 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2cccc3ccccc23)[C@H]1c1ccc(C(C)(C)C)cc1 170469653 AZLCTAHYALKJHV-SANMLTNESA-N 441.571 6.653 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(O[C@H](C)CC)cc2)cc1 253563435 FKQYBTOOMGJBKI-DHJUGAMNSA-N 433.548 5.267 30 10 IKEE O=[N+]([O-])c1cccc(-c2ccc(C=NNc3c(F)c(F)c(C(F)(F)F)c(F)c3F)o2)c1 254626314 DEXHNMVTDNITDK-UHFFFAOYSA-N 447.266 5.876 30 10 IKEE CC1CCN(S(=O)(=O)c2ccc(N=Cc3ccc(OCc4ccccc4)cc3)cc2)CC1 257352782 NKCITKHYUNEISH-UHFFFAOYSA-N 448.588 5.437 30 10 IKEE CCCCCCCCCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)C(=O)CC[C@H]32)C1 504629779 YSSYRCSUIQKJPD-UMTSKBKTSA-N 444.700 7.651 30 10 IKEE CCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1cc(Cl)c(OC)c(Cl)c1 526802806 NTXAEQBMUUBAFN-RMORIDSASA-N 439.343 5.470 30 10 IKEE CCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1cccc(Cl)c1 526806495 YDMUBZKOHBJVII-MYYYXRDXSA-N 427.017 6.356 30 10 IKEE CCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1ccc([N+](=O)[O-])cc1 526806551 ZUCJZUGRQNNOEP-IWIPYMOSSA-N 437.569 5.611 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccc(OC)c(O)c1 526807333 WATKLZAKDDZPAV-QRVIBDJDSA-N 430.961 5.163 30 10 IKEE CCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1cccc(Br)c1 526809819 VRBHCMZDGJDISK-UUYOSTAYSA-N 429.387 5.394 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccc(O)c(OC)c1 526818223 WTEZSVXJXLYBJP-MSXFZWOLSA-N 448.951 5.302 30 10 IKEE O=C(O)[C@H]1CC[C@H](C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC1 585669555 OYZREMJZZYHBTI-IZLXSQMJSA-N 446.203 5.616 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N(C(=O)/C=C/c2cccc(F)c2)C2CCNCC2)c1 585849471 FZPQASUKGULKEQ-VAWYXSNFSA-N 449.570 5.098 30 10 IKEE CCCCCCCCC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 686790974 BRHXUSLUFWVVIM-FQEVSTJZSA-N 437.580 6.509 30 10 IKEE CSc1cccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)c1 686952484 LTVPIUNISZLOJI-SFHVURJKSA-N 433.371 6.177 30 10 IKEE N#Cc1cc(F)c(NC[C@@H]2CN(Cc3ccccc3)CC23CCC3)cc1Br 693754135 XSEATEMHWXACEJ-GOSISDBHSA-N 428.349 5.174 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)S/C1=N/c1ccccc1C(=O)O 1614234374 LKPFJIKQVNCARE-MDRWVBAWSA-N 433.316 5.482 30 10 IKEE N#Cc1ccc(CN(Cc2cccc(OC(F)(F)F)c2)c2ccc3nc(O)[nH]c3c2)cc1 1653642478 DVBGNFRYOKIASB-UHFFFAOYSA-N 438.409 5.246 30 10 IKEE Cc1occc1C(=O)Nc1ccc(C(=O)/C=C\c2c[nH]nc2-c2cccc([N+](=O)[O-])c2)cc1 1772728039 GQJFJPZYAOHJOH-YFHOEESVSA-N 442.431 5.035 30 10 IKEE CCCCc1ccc(NC(=O)c2oc3c(c2C)C(=NNc2ccccc2)CC(C)(C)C3)cc1 1772728376 BEEWFKXXSOISLN-UHFFFAOYSA-N 443.591 6.972 30 10 IKEE O=C1/C(=C/c2ccc[nH]2)SC(=Nc2nc(-c3ccccc3)cs2)N1c1ccccc1 1772734945 FXZSKEMOQIHKGK-QNPCYTEQSA-N 428.542 5.947 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)SC1=Nc1cccnc1Cl 1772735399 HCALKWMLEUWABF-JLFKZYKSSA-N 444.343 6.272 30 10 IKEE CCCCCCCCCCCCCC[C@@H](C)O[S@@](=O)(=S)CCCCCCCC 1848349915 VWJIXEVUJAFBAX-UFHPHHKVSA-N 434.796 8.505 30 10 IKEE N#CCc1nc(-c2cccc(OC(F)(F)F)c2)ccc1-c1cccc(OC(F)(F)F)c1 1848362067 ZJTXTTFZKPYIEX-UHFFFAOYSA-N 438.327 6.279 30 10 IKEE C=CCNC(=O)Oc1cccc2c(NC(=O)c3ccc(Br)cc3)cccc12 1858935432 SYICIIWAOGFGEG-UHFFFAOYSA-N 425.282 5.129 30 10 IKEE C=CCN(C(=O)CCCOc1ccc(Cl)cc1Cl)[C@H]1CCN(Cc2ccccc2)C1 1860031540 XWVKCHSLJRLXGE-NRFANRHFSA-N 447.406 5.442 30 10 IKEE N#Cc1c(NC(=O)CSc2nc(-c3ccc(F)c(F)c3)cs2)sc2c1CCCC2 1860817225 KWJZTRHYSXXISD-UHFFFAOYSA-N 447.557 5.631 30 10 IKEE CCCCCCCCNC(=O)[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)c1ccccc1 1861669036 IROSPSHEWWXJCZ-CVDCTZTESA-N 445.003 5.442 30 10 IKEE COc1cc(-c2nc3ccc(C(=O)Nc4cccc(C#N)c4)cc3[nH]2)cc(Cl)c1OC 1861860292 UMWCDPHZWIGRJJ-UHFFFAOYSA-N 432.867 5.024 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(F)cc2F)cc1 1862393947 AQLUPFNOHMQNJM-HSZRJFAPSA-N 439.502 5.828 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862395589 TWULQVCNGHMEPW-XMMPIXPASA-N 446.547 5.125 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc(OCC)c1 1862434249 VEVWDLQMAPIUQR-QFIPXVFZSA-N 441.955 5.897 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1c(F)cccc1Cl)c1cccc(Cl)c1 1862449236 GIFFIQJHASUAJH-IBGZPJMESA-N 434.294 5.653 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC(C)C)cc1 1862484292 LNZDHWBJFHYGKG-RUZDIDTESA-N 449.591 6.188 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)c1 1862488808 IPVQTKMOJHHRBX-KUWBRRTOSA-N 433.548 5.469 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(O)cc1 1862490610 ZOQZTYAALMEPNZ-DEOSSOPVSA-N 435.564 5.948 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1c(F)cccc1Cl 1862494557 NLPBSJIXBWDBHH-QFIPXVFZSA-N 443.946 6.255 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cccc(OCC)c1 1862506689 UFDAZTULIMWAKN-QHCPKHFHSA-N 439.527 5.691 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@@H]2c2ccccc2)ccc1F 1862508206 YRZFVTLVGFVDAH-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(C)cc1 1862508321 ZJCIPCMWLPSCDA-XMMPIXPASA-N 445.490 5.230 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(N(CC)CC)cc1 1862509595 MDVIAMUFDLSFFC-HXOBKFHXSA-N 438.543 5.357 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(OC)cc1 1862557963 RVZSBELBNVRTQB-NZQKXSOJSA-N 436.552 5.215 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862562444 GAEXCBQXIZZNSM-IBGZPJMESA-N 433.335 5.344 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(C(C)C)cc2)=C(O)C(=O)N1Cc1cccs1 1862659746 DQIIECIOKNJFKB-HSZRJFAPSA-N 431.557 5.958 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(Cl)c2)cc1 1862660175 GDBBTHOSMHXIIE-QFIPXVFZSA-N 435.907 5.835 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccc(C)cc2)cc1 1862676287 GABZLBWSHAECAP-XMMPIXPASA-N 445.490 5.311 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc3cc[nH]c3c2)c1 1862702110 VBVBGDXOJHKPDY-IGUJJWBZSA-N 444.531 5.334 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(O)c(OC)c1 1862727829 NBMSVHSCGWWTIR-XMMPIXPASA-N 443.499 5.056 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C(C)(C)C)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862897267 FUALIWXSEGUIJC-UHFFFAOYSA-N 435.527 5.561 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccccc2Cl)C1=O 1863067799 BJGVFDBJXOONAB-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE CCCCCCCCN1C(=O)C(NCC)=C(c2ccc(OCc3ccccc3)cc2)C1=O 1863707413 NFHLYZMENSMDJS-UHFFFAOYSA-N 434.580 5.316 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2OC)C(=O)N(Cc2ccc(F)cc2)C1=O 1863763316 OEQDDGLJACCXIT-UHFFFAOYSA-N 438.543 5.065 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1cc(NC(C)=O)ccc1C 1866029763 GIQSXONNKWFHRO-UHFFFAOYSA-N 430.677 8.153 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)c2ccc3cc(Cl)ccc3n2)c1 1866052978 PKXCLEUOAZKULZ-UHFFFAOYSA-N 425.875 5.552 30 10 IKEE CC(C)c1cc(C(C)C)cc(-n2nnc(C#N)c2NC(=O)c2ccc3c(c2)C(=O)CCC3)c1 1870157988 LHWCWVLYTKQYIR-UHFFFAOYSA-N 441.535 5.157 30 10 IKEE CCCCCCCOc1cn(CCC)c(CNc2cc(OC)c(OC)c(OC)c2)cc1=O 1870832233 TYGITXMFXMIJKX-UHFFFAOYSA-N 446.588 5.245 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCCCCOc4ccccc4C)ccc3C2=O)cc1 1871404674 NQGCERGCZGOFEX-IMRQLAEWSA-N 444.527 6.248 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871409154 YOHFHDMAXBEGRR-SUVVMJBMSA-N 447.918 5.979 30 10 IKEE Cc1cc(OCC(C)C)cc2c1C(=O)/C(=C/c1cc(Br)cc3c1OCOC3)O2 1871410142 RLNFZCNMYUXLHS-GXHLCREISA-N 445.309 5.275 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccc(C)cc4C)ccc3C2=O)cc1 1871411764 RCAYCTYNQKYJOO-PKFJFBDISA-N 441.527 5.888 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1ccc2c(c1C)O/C(=C\c1cccc(C)c1)C2=O 1871429073 HIMQLZOWLHYWSX-QYJRXKHCSA-N 436.548 6.201 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1ccc2c(c1C)O/C(=C\c1ccccc1C)C2=O 1871429313 OUSDNRVBHKCDEW-YMLINEMLSA-N 436.548 6.201 30 10 IKEE Cc1ccc(CCOc2ccc3c(c2)O/C(=C\c2c(Cl)cccc2Cl)C3=O)cc1 1871437538 GPAYGDHQIKSSEB-UCQKPKSFSA-N 425.311 6.540 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OCCc4ccc(C)cc4)c3C)C2=O)cc1OC 1871437651 UAQAFKIFBSBPJQ-XYGWBWBKSA-N 430.500 5.558 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4C(C)=O)ccc3C2=O)cc1 1871441669 HHHJDUYHGLPVLK-QFEZKATASA-N 441.483 5.085 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OCC(=O)Nc3cccc(C)c3C)c2C)C1=O 1871458913 FTLJZDBKVJJAIF-OYKKKHCWSA-N 427.500 5.554 30 10 IKEE C=CCN([C@@H](C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)C(C)C)S(=O)(=O)CCCC 1872324316 DFRNJFLTUSWGDI-HSZRJFAPSA-N 436.662 5.514 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccccc1C(C)C)C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1872435532 OAORYHAQOJIDHH-JOCHJYFZSA-N 449.016 5.303 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cccc(Cl)c1C)[C@H](C)CC)S(=O)(=O)CCCC 1872440226 WDQXPHSVGYBFGX-OXQOHEQNSA-N 429.026 5.010 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cccc(Cl)c1C)[C@H](C)CC)S(=O)(=O)CCCC 1872440228 WDQXPHSVGYBFGX-UZLBHIALSA-N 429.026 5.010 30 10 IKEE CC(C)c1ccc(O[C@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 1872760768 XKDWJFWTOGAWJR-KOSHJBKYSA-N 440.568 6.730 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccc(CC)cc3)n2)cc1 1872765058 GCMYUXMDCJEUHJ-XMMPIXPASA-N 446.616 6.751 30 10 IKEE CC(C)c1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 1872773643 TWSFFUTVDHLFNU-RJVUUZSNSA-N 428.601 7.121 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)COc3ccc(Cl)c(C)c3)n2)cc1C 1872787986 UTVFLFBZLYEAQI-GOSISDBHSA-N 440.952 5.653 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2cccs2)=C(c2cc(F)cc(F)c2)C1=O 1873108137 HJRAZDUARUOQNF-UHFFFAOYSA-N 432.536 5.257 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccccc2)=C(c2c(C)cc(C)cc2C)C1=O 1873116134 ZQCGHDBPWVTBPK-UHFFFAOYSA-N 432.608 5.842 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCOC(C)C)=C(c2ccccc2)C1=O 1873158319 SXXBPHINSKBUFC-UHFFFAOYSA-N 428.617 5.312 30 10 IKEE C=CCn1c(C(=O)Nc2ccccc2C(C)C)cc2c(N(CCC)CCCC)ncnc21 1873659683 ZEJHYQWIJHIWJQ-UHFFFAOYSA-N 433.600 6.010 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1ccccc1C(=O)O 1874287763 VXARBJLTEONBJI-LFVJCYFKSA-N 426.586 5.601 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3)n2/N=C/c2ccc(O)cc2)cc1C 1874330224 NYWSRASGOJJHNR-WPWMEQJKSA-N 442.588 5.560 30 10 IKEE CCc1ccc(/C=N/n2c(CCc3cccs3)nnc2SCc2ccccc2C)cc1 1874369103 KNNQPWSNXXPQGE-YZSQISJMSA-N 446.645 6.170 30 10 IKEE CCCSc1nnc(Cc2ccccc2F)n1/N=C/c1ccc(N(CC)CC)cc1 1874376809 PNFNWSUJSVLDSZ-KOEQRZSOSA-N 425.577 5.239 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(F)cc3)n2/N=C/c2cccc(F)c2)c1 1874378062 CIDYQSMGOGPBNU-JFLMPSFJSA-N 434.515 5.630 30 10 IKEE Cc1ccc(C)c(CSc2nnc(COc3ccccc3)n2/N=C/c2ccccc2)c1 1874384491 RUDCECFPBKCRKI-WGOQTCKBSA-N 428.561 5.648 30 10 IKEE Fc1cccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2ccccc2Cl)c1 1874417342 IKDAFMLBKBQJIM-CVKSISIWSA-N 436.943 5.836 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2-c2ccccc2)c1 1874426717 WWYHMXQQZGWOMT-WPWMEQJKSA-N 446.551 6.048 30 10 IKEE CCSc1nnc([C@H]2CCCO2)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1874445551 ZNKFJHYAAKRQNE-LSCMLXDISA-N 442.972 5.356 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C(F)(F)F)cc1 1874461333 ITTMPSQLROCJNF-OPEKNORGSA-N 438.906 6.248 30 10 IKEE C=CCSc1nnc(C(F)(F)F)n1/N=C/c1ccc(OCCCCCC)c(OC)c1 1874462569 ZTLDCPUVHDLEQW-ZVHZXABRSA-N 442.507 5.425 30 10 IKEE CCOc1cc(/C=N/n2c(SC)nnc2-c2ccco2)ccc1OCc1ccc(C)cc1 1874464177 VHWHKMVKZGKGRC-MFKUBSTISA-N 448.548 5.428 30 10 IKEE CSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1/N=C/c1ccccc1F 1874540147 FVOOJLPCDBIAQQ-FSJBWODESA-N 439.343 5.340 30 10 IKEE Fc1ccc(COc2ccc3ccccc3c2/C=N/n2c(S)nnc2C2CCC2)cc1 1874559405 PVDQEOPQAXKISN-VULFUBBASA-N 432.524 5.588 30 10 IKEE CCCCC1CCC(c2nnc(S)n2/N=C/c2cccc(OC)c2OCCC)CC1 1874563472 DWIOYDMUVVKKMG-LFVJCYFKSA-N 430.618 5.710 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)c1ccc2ccccc2c1 1874571459 OHMBKAHXCXCFMV-ZRDIBKRKSA-N 433.334 7.622 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cccc(OC)c1OCC(=O)Nc1ccc(C)cc1C 1874576713 BVBLRBUBNNEUNS-FYWRMAATSA-N 445.515 5.234 30 10 IKEE O=C(/C=C/c1c(OCc2cccc(F)c2)ccc2ccccc12)c1cccc2ccccc12 1874583507 QVPIFKDSCUQREW-WUKNDPDISA-N 432.494 7.607 30 10 IKEE CCCOc1c(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(Br)cc1OC 1874587045 RLYGHNKGNBLXHQ-CMDGGOBGSA-N 431.370 6.376 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccc(C)cc3C)c2)cc1C 1874599798 DTYMHPMBJPLPRV-ZRDIBKRKSA-N 443.543 5.842 30 10 IKEE CCc1ccccc1NC(=O)COc1cccc(/C=C/C(=O)c2ccc(OC)cc2OC)c1 1874600220 AAHJZKLABYHWAQ-NTCAYCPXSA-N 445.515 5.180 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Cl)c1OCc1cccc(C)c1 1874620396 YGFHCXHLPCSLIT-DHZHZOJOSA-N 438.926 6.970 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)c(C)c1 1874634069 JXCNBULZFIJRBY-CSKARUKUSA-N 425.355 7.394 30 10 IKEE Cc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3cc(C(C)(C)C)ccc3C)c2)cc1C 1874715862 PHZLSFRZZDTGET-NTCAYCPXSA-N 426.556 7.025 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1C 1875108997 RAOCIKBEZZOFFC-NYYWCZLTSA-N 447.443 5.036 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3cccc(F)c3)c(OC)c2)cc1 1875112834 QRWNMUVFTXCGIP-IZZDOVSWSA-N 440.854 5.612 30 10 IKEE O=C(Cc1ccccc1F)Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1Cl 1875113568 NREADJQSYHGMKC-PKNBQFBNSA-N 429.274 6.177 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccc(OC)cc3)cc2)cc1 1875129866 XPIVVPANQDUUKK-QGMBQPNBSA-N 430.500 5.528 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 1875137539 REMDUOHFBRNPQF-OVCLIPMQSA-N 431.444 5.499 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)[C@@H](C)c1ccccc1 1875148712 LOOMSDBAIKXVNO-MZEUMTGBSA-N 444.483 5.072 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1OCC 1875149207 DNZTUILEYNDWLW-NTEUORMPSA-N 428.956 6.638 30 10 IKEE COCCC(=O)Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1Br 1875154958 GBXYMOZIVBTEAP-PKNBQFBNSA-N 439.305 5.440 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccc(F)cc1 1875157861 RSXWVDGZWBRYQO-KGVSQERTSA-N 425.799 5.503 30 10 IKEE CCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1Br 1875189406 OSMQRWGUJFSMFC-XBXARRHUSA-N 442.136 6.358 30 10 IKEE C#CCCCCCC(=O)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875673622 WHODYUJVJLCKCH-LJAQVGFWSA-N 442.555 6.031 30 10 IKEE N#Cc1ccnc(OCC2CCN(C(=O)[C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 1891449630 WEEXZQUPGSEUCD-RUZDIDTESA-N 445.950 5.056 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](CNC(=O)OC(C)(C)C)CC1CCCC1 1922086190 OIYDWNVFMADTAQ-RPBOFIJWSA-N 444.660 5.849 30 10 IKEE CC1(C)CN(C(=O)OC(C)(C)C)C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 1922770006 UANRCSVHSLYISU-DEOSSOPVSA-N 447.551 5.497 30 10 IKEE C=CCC1(NCc2cc(Br)c(C)s2)CCN(C(=O)OC(C)(C)C)CC1 1924524902 VOISYYYRRDLNAZ-UHFFFAOYSA-N 429.424 5.254 30 10 IKEE C=CCC1(NCc2cc(Cl)cc(Br)c2)CCN(C(=O)OC(C)(C)C)CC1 1924530088 OGXQQYDFNZCQLX-UHFFFAOYSA-N 443.813 5.538 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1999942428 JFZUFRVDVWSNFO-WAIKUNEKSA-N 449.979 5.621 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@@](C)(NC(=O)OC(C)(C)C)C1CCC1)NCCC 2013736599 YKZUDJPLXITQAU-JYFHCDHNSA-N 430.633 5.601 30 10 IKEE CC(C)(C)OC(=O)NCC[C@@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C1 2037234834 ZZHRTUCYLMNXGA-BXKMTCNYSA-N 447.551 5.544 30 10 IKEE COc1ccc2c(c1)CCC(=Cc1csc(N(C(C)=O)c3c(C)cccc3C)n1)C2=O 2040484006 QMLKSVOOSAMSHZ-UHFFFAOYSA-N 432.545 5.666 30 10 IKEE C=CCC1(C(=O)Cc2ccc(Cl)c(Br)c2)CN(C(=O)OC(C)(C)C)C1 2047915723 MRSRSJFNAIKDKC-UHFFFAOYSA-N 428.754 5.027 30 10 IKEE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)[C@@H]1C[C@H](c2ccccc2)CC[C@H]1C#N 2054197702 UCGRVJPDVNJUPV-DSNGMDLFSA-N 433.596 5.489 30 10 IKEE CC(C)(C)c1nn(-c2ccc(C(F)(F)F)c(F)n2)c(C(F)(F)F)c1Br 2078896209 MZUTXSAGKUJBJD-UHFFFAOYSA-N 434.153 5.504 30 10 IKEE N#Cc1c(C2CCCCC2)nn(-c2ccc(F)cc2Br)c1Br 2080316244 GBFYMTUANUXEKN-UHFFFAOYSA-N 427.115 5.456 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](Nc2cc(Br)c(C#N)cc2F)CC1(C)C 2106004739 RIJHZKZQQWZKTA-ZDUSSCGKSA-N 426.330 5.050 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(C)cc(Br)c1 2134102892 DCQLKLISFDWUBC-MOPGFXCFSA-N 425.411 5.658 30 10 IKEE C=CCCCCCC[C@H](NC)c1cc(Br)ccc1I 2141907213 BSCPKZLYXZDSRW-INIZCTEOSA-N 436.175 5.841 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)C1(C#N)C[C@H]2CC(F)(F)C[C@@H]2C1 2160232151 UJIQXUPGTDVSHF-KBPBESRZSA-N 441.316 5.908 30 10 IKEE Cc1cccc(NC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2Br)c1C#N 2181045523 NFLQAVTWCKUVTC-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(Nc2ccccc2Br)C(F)(F)CC1 2196975851 GECHSKSNZJYQFT-GOSISDBHSA-N 444.320 5.180 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@@H](O)C#Cc2cccc(Br)c2)cc1Cl 2278725308 LYACQNHQQZZVPT-SFHVURJKSA-N 436.733 5.535 30 10 IKEE C=CCCC1([C@H](NC)c2cc(C)c(Br)cc2C)CN(C(=O)OC(C)(C)C)C1 2281049111 XBLWNMRYLUIFSV-LJQANCHMSA-N 437.422 5.530 30 10 IKEE CCCCCCC[C@@H](NC)[C@](C)(O)c1cc(Br)c(Br)s1 2281285124 FGMNBLBXSLPWEQ-DOMZBBRYSA-N 427.246 5.429 30 10 IKEE C=C(COCc1ccccc1)[C@@](C)(OCCC(=O)O)c1ccc(F)cc1Br 2291122721 XHPOPZXHWGNOPW-OAQYLSRUSA-N 437.305 5.068 30 10 IKEE CC(C)(C)OC(=O)N[C@@](C)(C1CCCCC1)[C@@H](O)C#Cc1cccc(Br)c1 2296223782 CXRYRROXVBZUSB-UGKGYDQZSA-N 436.390 5.025 30 10 IKEE CC1(C)CCC(NC(=O)OC(C)(C)C)([C@H](O)C#Cc2ccc(Br)cc2)CC1 2296271512 DZBHQZYYFWJPEC-GOSISDBHSA-N 436.390 5.025 30 10 IKEE O=[N+]([O-])c1ccc(NCCCN=Cc2cc(Cl)cc(Br)c2O)c(Cl)c1 2297534204 IANUQNUGASGKDB-UHFFFAOYSA-N 447.116 5.291 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCc3ccc(Cl)c(Cl)c3)ccc2C1=O 2314438030 FMUMUZCZGQRNRX-UHFFFAOYSA-N 441.310 6.587 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=Nc1ccccn1 2314542269 UBQGJJSXUNPIQR-UHFFFAOYSA-N 432.461 5.040 30 10 IKEE N#Cc1cccc(NC(=O)c2cccc(NC(=O)C=Cc3ccc(Cl)cc3Cl)n2)c1 2320956658 YVKSCWYUKIBHED-UHFFFAOYSA-N 437.286 5.164 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3c(ccc(OCc4cccc(F)c4)c3C)C1=O)cn2C 2321888595 YRDXZWLRVQBTLN-UHFFFAOYSA-N 443.474 5.830 30 10 IKEE CCOc1cccc(C=Nn2c(S)nnc2CCCOc2ccc(C(C)(C)C)cc2)c1 2322278354 MRDWJEMBBANVDF-UHFFFAOYSA-N 438.597 5.157 30 10 IKEE COc1ccccc1C=C1Oc2c(cc3c(c2C)OCN([C@@H](C)c2ccccc2)C3)C1=O 2322371173 OOAWKHMISLMDBA-SFHVURJKSA-N 427.500 5.533 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C)cc2)c1OCc1nc(O)c2ccccc2n1 2322601310 BSKWZCMFXFLQTG-UHFFFAOYSA-N 426.472 5.128 30 10 IKEE CCOc1c(Br)cc(Br)cc1C=CC(=O)c1cc(C)ccc1C 2322617334 ZVFSTWSAQZCHNT-UHFFFAOYSA-N 438.159 6.123 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@H]3CC[C@H]2N(C(=O)OC(C)(C)C)C3)c1 2322625137 GWYHDFWZCFBARS-BSWQBHCVSA-N 441.572 5.418 30 10 IKEE Cc1c(OC(=O)C=Cc2ccc(F)cc2)ccc2c1OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2323045782 OQOOROXIHCBJJJ-UHFFFAOYSA-N 445.402 5.277 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3c(C)cccc3C)c2)cc1 2323063380 PCLAZTGFERYQQM-UHFFFAOYSA-N 443.543 5.788 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Cl)cc1Cl 2323511738 KSIUZOYWOSPJHS-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE CSc1nnc(Cc2ccccc2)n1N=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 2323581240 JVRYRORKBVZPLO-UHFFFAOYSA-N 436.625 5.774 30 10 IKEE C=C(C)COc1c(Br)cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC 2323686630 XDQOVQWPCICZOC-UHFFFAOYSA-N 446.297 5.607 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OCc1nc(O)c2ccccc2n1 2323777420 FDPDJPBNABWPSA-UHFFFAOYSA-N 446.890 5.473 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(F)c2)ccc1OCc1ccccc1Cl 2324120538 PEYBLKFEMTWZJG-UHFFFAOYSA-N 440.898 6.362 30 10 IKEE COc1cc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc(OC)c1OC 2324756601 QWJNYYPNMNKFLL-LJQANCHMSA-N 448.544 5.342 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2C)C3=O)c(C)c1 2324893416 XLOHREOSTWHJMG-UHFFFAOYSA-N 427.500 5.554 30 10 IKEE CCCCCCOC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccccc1Cl)C2=O 2325027836 FSGUQOCYWARTMM-UHFFFAOYSA-N 428.912 5.767 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)c2)cc1 2325738486 UABNAVVBIWBUQV-UHFFFAOYSA-N 446.415 5.235 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2cccc(C=CC(=O)c3ccc(C(C)C)cc3)c2)cc1 2325750695 GDYSMZPQHQMGMX-UHFFFAOYSA-N 442.555 6.779 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cccc(OC(=O)Cc2ccc(F)cc2F)c1 2325757472 RIEPIRWMMNPSIA-UHFFFAOYSA-N 436.454 5.634 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1cccc(C)c1 2326014349 CQMPGASEJBWZTR-UHFFFAOYSA-N 441.000 5.802 30 10 IKEE C=CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccccc1F 2326141898 BQJMSKSIVVNAJJ-UHFFFAOYSA-N 430.936 5.427 30 10 IKEE CCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccccc1Cl 2326932921 YDDBIAIKRAOMHF-UHFFFAOYSA-N 429.033 6.075 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1sccc1C 2327186969 RKEGFJROAJSAAI-UHFFFAOYSA-N 426.611 5.518 30 10 IKEE CCCCC1CCC(c2nnc(SC)n2N=Cc2c(OC)ccc3ccccc23)CC1 2328106502 IWFYWYHFWBBFER-UHFFFAOYSA-N 436.625 6.508 30 10 IKEE Cc1cccc(CSc2nnc(COc3c(C)cccc3C)n2N=Cc2ccc[nH]2)c1 2328552115 NEPBBUHMGBTXMU-UHFFFAOYSA-N 431.565 5.285 30 10 IKEE CCOc1ccc(C=Nn2c(Cc3ccc(C)c(C)c3)nnc2SCC)cc1OCC 2329416113 YEAZEKQJIPMPNC-UHFFFAOYSA-N 438.597 5.277 30 10 IKEE CCc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCc2cccc(C)c2)cc1 2330246215 RJCGHUWPCSQYBU-UHFFFAOYSA-N 432.637 6.446 30 10 IKEE O=C(CC12CC3CC(CC(C3)C1)C2)Oc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1 2330621858 HUNJVPHKLZBELY-UHFFFAOYSA-N 445.515 6.003 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(Br)c1OC(C)=O 2330692947 DNLHFZIEZCLCBE-UHFFFAOYSA-N 429.310 5.158 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3c(C)ccc(C)c3C)cc2)cc1 2330740704 IMODKHHYKBYNET-UHFFFAOYSA-N 428.528 6.055 30 10 IKEE CC(C)(C)CC(=O)Oc1ccc(C=CC(=O)c2cccc(Br)c2)cc1[N+](=O)[O-] 2331004401 STFNFUZZNCSRFD-UHFFFAOYSA-N 446.297 5.595 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)CCc1ccccc1C 2331331160 VBYRIMHQXGFIFU-UHFFFAOYSA-N 428.528 6.055 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)cc(OC)c1OC(=O)C(C)(C)C 2331405476 LFSYSUQGOMYCBC-UHFFFAOYSA-N 436.504 5.043 30 10 IKEE Cc1ccccc1NC(=O)CSc1nnc(C2CCC2)n1N=Cc1ccccc1Cl 2331500252 OIPWRYFILOGMHW-UHFFFAOYSA-N 439.972 5.120 30 10 IKEE Clc1ccc(C=Nn2c(SCCc3ccccc3)nnc2C2CCC2)c(Cl)c1 2331529030 ADCOOKSWDFIINF-UHFFFAOYSA-N 431.392 6.069 30 10 IKEE O=[N+]([O-])c1cc(C=Nn2c(SCc3ccc(F)cc3)nnc2C2CC2)ccc1Cl 2331726575 CAAOFUUTSCMOHZ-UHFFFAOYSA-N 431.880 5.031 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c4ccccc34)cc2)c1 2331864267 IRCSETCHVREGOK-UHFFFAOYSA-N 438.479 5.972 30 10 IKEE CC[C@](C)(CCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339579714 ZYGISTOANRJBNH-DQRYEYLNSA-N 446.397 5.189 30 10 IKEE CC(C)(C)OC(=O)Nc1ncccc1Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339584641 DOIFKKWUYUDAFA-OUKQBFOZSA-N 438.337 5.212 30 10 IKEE CC1(C)CCC(C#N)(Cc2ccc(I)c(Br)c2)CC1 2349898828 QXZICRGOYVYDLG-UHFFFAOYSA-N 432.143 5.706 30 10 IKEE CC1(C)OB(c2ccc(CSC[C@H]3CC[C@H](C)CC3)cc2Br)OC1(C)C 2377316729 MSCFENJNOPKZFS-WKILWMFISA-N 439.268 5.808 30 10 IKEE COc1cc(/C=N/Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc(OC)c1O 3961023 NLRWKQMNEFGWES-MFKUBSTISA-N 431.517 5.646 30 10 IKEE N#Cc1c(SCC(=O)N2CCCC2)nc2c(c1-c1ccco1)CC/C2=C/c1ccco1 9580336 RYVCBNHFYMOMAT-SSZFMOIBSA-N 431.517 5.008 30 10 IKEE N#Cc1c(-c2ccccc2)cc(-c2cccs2)nc1SC[S@](=O)Cc1ccccc1 9993103 ZNWZQLDLWBXZEE-PMERELPUSA-N 446.622 6.347 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)c1 32555277 SZNSITIPYNDCNE-LJQANCHMSA-N 427.378 5.390 30 10 IKEE Cc1ccccc1C(=O)/N=C(/NCCc1c[nH]c2ccccc12)Nc1ccc(F)c(Cl)c1 32943459 HRBYBVVWBRVADM-UHFFFAOYSA-N 448.929 5.709 30 10 IKEE N#Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1 33169030 KUAKICQVDSRRMZ-UHFFFAOYSA-N 425.922 5.289 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCC(=O)c4ccc(Cl)cc4)ccc3C2=O)cc1 39754343 AXVJAHGJZUJVOE-CFRMEGHHSA-N 434.875 5.617 30 10 IKEE O=C(O)c1cccc(/N=C2/S/C(=C\c3cccc(Cl)c3)C(=O)N2C2CCCCC2)c1 39866842 DUFPFOCMVKKHQE-DMDNQVQLSA-N 440.952 5.975 30 10 IKEE Cc1c(/N=N/c2cccc(Br)c2)c(O)n([C@@H](C)c2ccccc2)c(=O)c1C#N 39871514 GMAXUOGBTQWWGD-OWSVEQCWSA-N 437.297 5.521 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1cccs1 40094265 MBLBPXWUMINQQQ-OAQYLSRUSA-N 427.566 5.470 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3ccc(C)cc3)C4)C2=O)cc1 41587356 IFOMQTCFJADCDM-MXAYSNPKSA-N 441.527 5.670 30 10 IKEE Cc1ccccc1/C=C1\S/C(=N/N=C\c2ccc(Cl)cc2)N(Cc2ccco2)C1=O 47137897 XWSIPQHPGJUCKC-ZJHZAIRNSA-N 435.936 5.748 30 10 IKEE O=[N+]([O-])c1ccc(Oc2ccc(/C=N/Nc3cc(Cl)ccc3Cl)cc2)c([N+](=O)[O-])c1 59146333 BGKSPEWEYZHFKF-SSDVNMTOSA-N 447.234 6.048 30 10 IKEE CC/C(C)=N/Nc1nc2c(Cl)c3sc(N/N=C(\C)CC)nc3c(Cl)c2s1 78400678 WJWKHKHXPHYXOC-KVJLFNRQSA-N 429.402 6.608 30 10 IKEE COc1c(Cl)cc(Cl)cc1/C=C\C(=O)/C=C/c1cc(Cl)cc(Cl)c1OC 97402283 XZWYIFJCMITUSW-CIIODKQPSA-N 432.130 6.613 30 10 IKEE CCCCCCCCC(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccc(C)c(F)c2)cc1 98022934 VXNVHNQTCVOTEH-VWLOTQADSA-N 442.600 6.602 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1ccc(OC)c(Cl)c1 100443802 ATOUCQIGTVDEPO-UHFFFAOYSA-N 427.054 6.863 30 10 IKEE CCCCCCCCOc1ccc(C(NC(=O)C(C)(C)C)NC(=O)C(C)(C)C)cc1OC 101118253 KHEKSSYNZAAGIZ-UHFFFAOYSA-N 448.648 5.758 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)S/C1=N/c1cccnc1 101124808 SVDAVDMSJIDYNU-SRWYGHAPSA-N 434.477 5.182 30 10 IKEE Cc1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccc(Cl)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 102609741 CKNKAYBXZNYPSZ-SADKCHQCSA-N 448.862 5.183 30 10 IKEE COc1ccc(-c2cc(NC(=O)[C@@H](C)Oc3cccc(C#N)c3)ccc2OC(F)F)cc1 108986280 LQMRAMNLNXLHQI-OAHLLOKOSA-N 438.430 5.241 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\n2c(S)nnc2-c2ccco2)cc1OC 169913286 ISFKKFPFVIIWIN-ULJHMMPZSA-N 442.585 5.847 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccc(F)cc2)c1 169929391 DGOJGXLETVJOJY-HSZRJFAPSA-N 443.430 5.363 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccc(C)cc2)c1 169934597 HIISSLSFRTZFLR-XMMPIXPASA-N 427.500 5.403 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(OCc3cc(C)ccc3C)cc2)NC(=S)N1 169938218 DEJJBMXMYDBYKL-VWLOTQADSA-N 442.584 5.558 30 10 IKEE COc1cc(Br)cc(/C=N\Nc2nc(-c3ccc(C)cc3C)cs2)c1OC 169940380 CVXXVLCWHLUUHV-YVNNLAQVSA-N 446.370 5.653 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2cccnc2)c1 170006001 SDDIUPJQVBXLFI-JOCHJYFZSA-N 448.906 5.225 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2ccncc2)ccc1F 170019460 DAGWULNYCAWWOG-NRFANRHFSA-N 436.870 5.274 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccccc2)cc1 170048654 WKAWFGXGIRILNJ-VWLOTQADSA-N 436.511 6.074 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2ccccc2)s1 170052498 DGJINHGWYGJRGO-IBGZPJMESA-N 438.936 5.505 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(OC)cc1 170116658 DILVVDFDXCAQEW-DEOSSOPVSA-N 429.516 5.617 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2C[C@H]2CCCO2)c1 170143550 XQYYKBJISRKUFR-ZJSXRUAMSA-N 447.575 5.358 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccnc2)cc1C(C)C 170194173 PQXQUWMVNRIQPR-HSZRJFAPSA-N 434.536 5.125 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2)c1 170223497 ZDNYXVWLTBDUEH-NRFANRHFSA-N 437.854 5.271 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@@H]1c1ccc(Cl)cc1 170236323 OGUYEQKTVJTTMC-NRFANRHFSA-N 427.928 5.363 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@@H]1c1ccc(F)cc1 170243220 NNXJFJHQNMLYIE-QFIPXVFZSA-N 425.500 5.336 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)C[C@H](C)O3)=C(O)C(=O)N1c1ccccc1 170272268 XYZZVHWIYLESHD-BXKMTCNYSA-N 425.484 5.101 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OCC)c3)[C@H]2c2ccco2)cc1 170279104 RERXLLMKCBBDFU-QHCPKHFHSA-N 447.487 5.250 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccco1 170288046 NVYWJJCVIQWZBP-HSZRJFAPSA-N 425.440 5.224 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccco2)cc1C 170289513 RVRIFSYGEFRPHH-XMMPIXPASA-N 445.515 5.777 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2ccco2)c1 170296982 PZWKFEBAIMHBMA-HSZRJFAPSA-N 431.488 5.074 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@H]1c1sccc1C 170319192 NTIUFXZPFNSKFS-SFHVURJKSA-N 433.957 5.487 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@H]1c1sccc1C 170319314 KXMWPHLQFJKFQI-NRFANRHFSA-N 441.593 5.957 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1cccc(Oc2ccccc2)c1 170456326 BEUKIYBVETXQPD-HSZRJFAPSA-N 443.499 5.700 30 10 IKEE CCOc1ccc(Cl)cc1C=Nc1sc2c(c1C(=O)NC1CCCCC1)CCCC2 252608303 HIJAXYPXZLERBN-UHFFFAOYSA-N 445.028 6.492 30 10 IKEE CCCCc1ccc(N=C2C=C(Nc3ccc(CCCC)cc3)C(=O)c3ccccc32)cc1 252636151 XFHRUCDNXCSWNQ-UHFFFAOYSA-N 436.599 7.685 30 10 IKEE CCCCCCCCCCCCCCCCNc1ccc(N=Nc2ccc(C#N)cc2)cc1 254295505 VWVBMGVPJZJOFW-UHFFFAOYSA-N 446.683 9.867 30 10 IKEE Cc1ccc(N=C2c3ccccc3C3=NC(=O)N[C@](c4ccccc4)(C(F)(F)F)N32)c(C)c1 254304028 UUOIXSUFCIKXRN-DEOSSOPVSA-N 448.448 5.582 30 10 IKEE CC(=Nn1c(-c2cccc(Cl)c2)csc1=NC(C)C)c1ccc(-n2ccnc2)cc1 254492713 ITWFAPDOMCBEKM-UHFFFAOYSA-N 435.984 5.637 30 10 IKEE CC(=O)C1=CC[C@@H]2[C@H]3CC[C@H]4C[C@H](OC(=O)CCN5CCCC5)CC[C@]4(C)[C@@H]3CC[C@@]12C 504599441 LCHQKKCWNVVBHJ-BVLYJJDASA-N 441.656 5.552 30 10 IKEE FC(F)(F)Sc1c(I)ccc(C(F)(F)F)c1C(F)(F)F 514260026 VJCAGLFBRXCXKM-UHFFFAOYSA-N 440.068 5.941 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(OC)cc2)c1 526516200 OISLWWVXBTXSOW-RUZDIDTESA-N 440.499 5.413 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccnc2)c1 526517272 QYQZAKGTIVKQMU-XMMPIXPASA-N 425.488 5.189 30 10 IKEE CC(C)COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccncc2)c1 526604867 KTNUMNLWVZWPNI-DEOSSOPVSA-N 425.488 5.045 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2c(C)[nH]c3ccccc23)c1 526607435 WDRGKOGQRFPVLY-VWLOTQADSA-N 435.483 5.414 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 724031569 YRVSVWFHMNLDGA-HXOBKFHXSA-N 433.524 5.297 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)NC(=O)Nc2ccc(Oc3ccccc3)cc2)c1 821201391 VVCXMFSJFIYVTQ-UHFFFAOYSA-N 429.520 6.278 30 10 IKEE O=[N+]([O-])c1ccc(NN=Cc2ccc(-n3nncc3C34CC5CC(CC(C5)C3)C4)cc2)cc1 886012588 LKGXJJIBINYLSI-UHFFFAOYSA-N 442.523 5.089 30 10 IKEE Cc1cc(N=Cc2ccc(-c3ccc(C)c(C(=O)O)c3)o2)ccc1I 1083853554 SQFRKXWBIUFRSD-UHFFFAOYSA-N 445.256 5.617 30 10 IKEE C(=NC1=N[C@H](c2ccco2)[C@H](c2ccco2)S1)c1ccc(OCc2ccccc2)cc1 1084169838 FVGCLJVNGAORAS-RPWUZVMVSA-N 428.513 6.456 30 10 IKEE COc1ccccc1CNN=Cc1ccc(OCc2cccc3ccccc23)c(OC)c1 1084236411 HKJMCKMZQBTOHS-UHFFFAOYSA-N 426.516 5.560 30 10 IKEE COc1ccc(OC)c(C=Nc2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)c1 1084601949 IZXKOJJHQIGXCA-UHFFFAOYSA-N 445.500 6.153 30 10 IKEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CCCC(C)(C)C 1705481477 HFMXHYJNPJEBEW-HNNXBMFYSA-N 433.394 5.000 30 10 IKEE Cc1c(C(=O)Sc2nc3ccccc3o2)oc2c1C(=NNc1ccccc1)CC(C)(C)C2 1772729461 PDOSVGLRABOLCW-UHFFFAOYSA-N 445.544 6.450 30 10 IKEE COc1cccc(/C=C2\SC(=Nc3nc(C)cs3)N(c3ccccc3)C2=O)c1OC 1772737585 LMAVLSLHMAXNAQ-IWNQXXOGSA-N 437.546 5.277 30 10 IKEE N#Cc1ccccc1NC(=O)c1ccc(NC(=O)c2c(Cl)ccc(Cl)c2Cl)cc1 1860862932 RBFWGSIVBFLJGC-UHFFFAOYSA-N 444.705 6.023 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@H]2c2ccc(O)c(OC)c2)cc1 1862395861 ADESZOYLVUJLOM-QHCPKHFHSA-N 437.536 5.122 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@@H]1c1cccc(F)c1)c1ccccc1Cl 1862430594 NKXBRYKXERUMPX-JOCHJYFZSA-N 439.914 5.948 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccc(Cl)c1)c1ccccc1Cl 1862432428 DUPSUKDTDKAQIS-IBGZPJMESA-N 428.271 5.365 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(OCCC)cc1 1862450884 RIPUQZZVEMBETO-JOCHJYFZSA-N 441.955 5.897 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1c(Cl)cccc1Cl 1862467853 VSYCDYBROFTGLT-MRXNPFEDSA-N 430.209 5.009 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cccc(F)c1)c1ccc(Br)cc1 1862468034 GZKHKOHNSVCUML-IBGZPJMESA-N 444.300 5.109 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCC2)cc1 1862481513 BSLJIQQSYSFWKG-XMMPIXPASA-N 432.564 5.362 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(Cl)cc1 1862548586 VWRZFJDJRUQROX-HSZRJFAPSA-N 437.967 5.843 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccc(Cl)cc2)c1 1862588951 ANFKCXQCNWVBCL-QFIPXVFZSA-N 433.891 5.133 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1cc(Cl)cc(Cl)c1 1862622225 BVEZQNGZZTWQBS-HXUWFJFHSA-N 446.374 6.278 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccccc2)cc1 1862649170 RQMVWUZJORAPKP-HHHXNRCGSA-N 447.534 5.969 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc2c(c1)CCCN2C 1862667531 DMSWCQOTGHONKJ-IQGLISFBSA-N 446.591 5.569 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C(C)C)cc1 1862667552 FADZMRMEOOGMML-DEOSSOPVSA-N 434.580 5.643 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc2cc[nH]c2c1 1862691519 OOXIASVLBHLLRM-QHCPKHFHSA-N 432.520 5.335 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccccc2Cl)c1 1862700427 FVQDPDMKCDRAEA-QHCPKHFHSA-N 447.918 5.170 30 10 IKEE N#Cc1ccccc1NC1=C(c2cccc3ccccc23)C(=O)N(c2ccc(Cl)cc2)C1=O 1862844046 SWAHMYPHGGZQAN-UHFFFAOYSA-N 449.897 5.761 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(C)c(C)c3)C2=O)cc1 1863253360 FTUSXSQVAZPRJG-HXUWFJFHSA-N 449.554 5.691 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3cc(C)ccc3C)C2=O)cc1 1863401546 ASBQMJVOJMYVKE-FQEVSTJZSA-N 449.554 5.691 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCC)=C(c2cccc3ccccc23)C1=O 1863583307 UQTYESMHWWTPMR-UHFFFAOYSA-N 434.624 6.450 30 10 IKEE CCCCCCCCNC1=C(c2ccc(Cl)c(Cl)c2)C(=O)N([C@@H](C)CC)C1=O 1863633761 BMVNTIOJEONUFQ-HNNXBMFYSA-N 425.400 5.822 30 10 IKEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CC(C)C)[C@H]1c1cccs1 1864477831 QIMAEQHAYYEFSL-HXUWFJFHSA-N 444.645 5.080 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2)c(CSc2nccn2C)cc1=O 1870251434 JGEMLTXLAMENLP-UHFFFAOYSA-N 425.598 5.272 30 10 IKEE CCCCCCCOc1cn(CCN(CC)CC)c(CNc2cc(C)ccc2C)cc1=O 1870837435 GDFQXUHTQQSDQM-UHFFFAOYSA-N 441.660 5.768 30 10 IKEE CCCCCCCCn1cc(OCCOC(C)C)c(=O)cc1CNc1cccc(C)c1C 1870987168 UVEOXEGOIJVLKP-UHFFFAOYSA-N 442.644 6.242 30 10 IKEE N#Cc1ccc(NC(=O)Cc2csc(-c3ccc(Oc4ccc(F)cc4)cc3)n2)cc1 1871274932 JRHYEKVLQQZFEL-UHFFFAOYSA-N 429.476 5.794 30 10 IKEE Cc1cc(OC(=O)/C=C/c2cccs2)cc2c1C(=O)/C(=C/c1ccc3c(c1)OCO3)O2 1871380918 JHJRBPZHOSTLEZ-CRPDUPBSSA-N 432.453 5.020 30 10 IKEE Cc1c(OC(=O)c2ccc(/C=C/C(=O)O)cc2)ccc2c1O/C(=C\c1cccc(F)c1)C2=O 1871382141 OCZBVTROFWDIGO-BWXIOLLUSA-N 444.414 5.067 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)CC1 1871383244 LNCUUYRHMGUKCV-IWIPYMOSSA-N 438.951 6.858 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871387519 ZTZKCGXDBCSHEU-YSNDTTCLSA-N 426.468 5.785 30 10 IKEE Cc1cc(O[C@H](C)C(=O)Nc2ccc(F)cc2)cc2c1C(=O)/C(=C/c1cccc(F)c1)O2 1871400668 HXZJLETVIFCTNY-SRMCNWIXSA-N 435.426 5.295 30 10 IKEE Cc1cccc(OCCOc2ccc3c(c2C)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)c1 1871406862 LBDOZDJJNYHTJI-HAHDFKILSA-N 431.444 5.286 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)o2)C3=O)c1 1871410947 DZNDKYISPWRDEP-QRAWFLTRSA-N 431.488 5.535 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCCOc4ccc(OC)cc4)cc(C)c3C2=O)cc1 1871414145 AJHVYCORHNKOKW-XYGWBWBKSA-N 446.499 5.476 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(O[C@H](C)C(=O)Nc4ccc(C)cc4C)c3C)C2=O)c1 1871414932 XVVWJAJIWOBPME-UQEONJGVSA-N 441.527 5.942 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCCOc4cccc5ccccc45)cc(C)c3C2=O)cc1 1871415668 NRJMBSFAGTWKBE-PKAZHMFMSA-N 436.507 6.531 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OCc4ccc(C(=O)OC(C)C)o4)c3C)C2=O)c1 1871439318 SFWAVOSSMRWJAG-QRVIBDJDSA-N 432.472 5.657 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(Cl)c(C)c2)[nH]c(N2CCCCCC2)n1 1871663524 BRSOYPPIILWGJL-UHFFFAOYSA-N 445.055 6.152 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccccc1CC)[C@@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872494614 LUTPQAKCKGSYKQ-MBSDFSHPSA-N 446.588 5.008 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)/C=C/c2cccc(Cl)c2)n1 1872787032 ZHHYKLLARBOAKN-DKFQHHCZSA-N 443.355 6.324 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@@H](C#N)C(=O)/C=C/c2cccc([N+](=O)[O-])c2)n1 1872788833 RFVGAHVARUGGKU-UABRLCRWSA-N 439.880 5.270 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc([N+](=O)[O-])cc2)=C(c2ccccc2C)C1=O 1873305719 RGXDWXVWKDYYNF-UHFFFAOYSA-N 435.524 5.456 30 10 IKEE CCCCCOc1ccc(/C=N/Nc2oc(-c3cccs3)nc2C(=O)OC)cc1OC 1873463420 JDVNWJWADJZYPE-OEAKJJBVSA-N 443.525 5.213 30 10 IKEE COc1cc(/C=N/Nc2ccc(Br)cc2)ccc1OCc1cccc(Cl)c1 1873498884 OZFUGKBMRXKCBX-ZMOGYAJESA-N 445.744 6.136 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1ccccc1OC 1874258333 VXJOYCJULGUUIR-MFKUBSTISA-N 436.581 5.369 30 10 IKEE CCCCC1CCC(c2nnc(SC)n2/N=C/c2cc(Cl)c(O)c(OC)c2)CC1 1874284054 MWKLACFOMQRDMX-YDZHTSKRSA-N 437.009 5.714 30 10 IKEE COc1ccc(CCc2nnc(SCc3ccccc3F)n2/N=C/c2ccccc2)cc1 1874305621 GRUTVJQUMFEWLO-WPWMEQJKSA-N 446.551 5.386 30 10 IKEE CCSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874326840 IRLZUWFGRJUOLT-SSDVNMTOSA-N 445.932 5.030 30 10 IKEE CCSc1nnc(-c2cccs2)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874423688 YYEWQPIWBQYWPD-HZHRSRAPSA-N 434.546 5.220 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(-c2ccco2)n1/N=C/c1cccnc1 1874468184 WIENYCWSEASSSB-FOKLQQMPSA-N 430.320 5.414 30 10 IKEE CC(C)Cc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(O)cc1O 1874490685 DYJMAVLPCGXURE-AFUMVMLFSA-N 432.549 5.216 30 10 IKEE CN(C)c1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CCC2)cc1 1874497008 PJTJBAOGOGSADQ-ZVHZXABRSA-N 425.989 5.440 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2)nnc1C(C)C 1874514626 CSBXZKFIIKNOTK-ZMOGYAJESA-N 428.989 6.017 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SCC(=O)OCC(C)C)nnc2C(C)C)cc1 1874515881 URQZAVWXUBJSKE-ZVHZXABRSA-N 446.617 5.144 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl)c1cccc([N+](=O)[O-])c1 1874571469 PBGUKIMRVIZGSE-VQHVLOKHSA-N 446.261 6.516 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Br)ccc2OCc2ccc(F)cc2)cc1 1874572797 GKOUABVTCYHLCS-UKTHLTGXSA-N 439.324 6.626 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2ccccc2Cl)cc1OC 1874573085 VAGRNLKWZJLWBW-ACCUITESSA-N 438.907 5.841 30 10 IKEE O=C(/C=C/c1c(OCc2cccc(Cl)c2)ccc2ccccc12)c1ccccc1Cl 1874575067 UAEPNIZCYOYMOZ-BUHFOSPRSA-N 433.334 7.622 30 10 IKEE C[C@@H](NC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccccc1)c1ccccc1 1874578340 IPXWSEYQSIHPIO-RURFIKTLSA-N 435.523 5.992 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C(C)C)cc2)c1OCC(=O)Nc1cccc(C)c1 1874583807 HHJRRFVHYRYWMC-FOCLMDBBSA-N 443.543 6.041 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C)c(C)c2)c1OCC(=O)Nc1cc(C)cc(C)c1 1874587835 HMAGURVGXDHQBC-VAWYXSNFSA-N 443.543 5.842 30 10 IKEE Cc1ccc(C(=O)/C=C/c2c(OCC(=O)Nc3ccccc3C)ccc3ccccc23)cc1C 1874588608 VLBOMELIXIKAPL-FOCLMDBBSA-N 449.550 6.679 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(OC)c1OCc1ccc(C)cc1 1874605164 RSSGCFGHQNZEAT-SAPNQHFASA-N 426.556 6.770 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 1874607341 JEXNIPNUVTYGMA-GZTJUZNOSA-N 448.990 7.556 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OCc1ccc(C)cc1 1874618529 GKZFSCZTCRLUKI-CCEZHUSRSA-N 426.556 6.824 30 10 IKEE CCN(CC)C(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OC 1874623010 HRRGZRORBJNUIC-MDWZMJQESA-N 443.971 5.615 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OCC 1874633071 KVABKKLRKUEOFY-JLHYYAGUSA-N 437.580 5.626 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OCc2cccc(C)c2)c(Cl)c1 1874634592 KDUNGFAOMOSQSR-VQHVLOKHSA-N 441.354 7.094 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)CCc3ccccc3OC)c2)cc1 1874694517 HNZGXXXRWOYSMA-LFIBNONCSA-N 444.527 5.701 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)c1)c1ccc(F)cc1F 1874699981 WADLHPYURPGDCY-AZHXHMFBSA-N 438.857 6.223 30 10 IKEE C[C@H](Oc1ccc(Cl)cc1)C(=O)Oc1cccc(/C=C/C(=O)c2ccc(Cl)cc2)c1 1874700820 OMOGOJLTYPMKOH-RNDAEWJDSA-N 441.310 6.262 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc1OC(=O)CC(C)(C)C 1874715069 BSVFQWPZPPNVHB-VQHVLOKHSA-N 430.928 5.903 30 10 IKEE CCCCCCCCC(=O)N1[C@H](C)CSc2nnc(COc3ccc(CCC)cc3)n21 1875065738 VPZGLFCWOALZOF-LJQANCHMSA-N 444.645 5.519 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc(OC)c1OC(=O)c1ccccn1 1875109072 UVJIITSWMHQUEL-ZRDIBKRKSA-N 443.499 5.251 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1Cl 1875121224 FSQZCGUHVFVQHE-WYMLVPIESA-N 433.375 7.546 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2[N+](=O)[O-])c1 1875127298 XXFKDVLJQVYNGY-WYMLVPIESA-N 445.471 5.564 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)c(C)c1 1875131947 WWUUJONEZMZYBR-WUXMJOGZSA-N 435.863 5.980 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)COCc3ccccc3)c([N+](=O)[O-])c2)c(C)c1 1875135048 XGPLNNVYJVAKPF-FMIVXFBMSA-N 445.471 5.230 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)CSc3ccccc3)cc2)c1 1875145560 MQYBJQMSOLZACF-GXDHUFHOSA-N 434.513 5.298 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)CSc3ccccc3)cc2)cc1 1875148704 KYWIDTFZOZNNHZ-WOJGMQOQSA-N 430.569 6.578 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1cccnc1 1875149616 ZANCEAYHRBJYQX-RIYZIHGNSA-N 429.516 5.893 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)CCc1ccccc1 1875151682 XPWIMTHHCNWOKS-XYOKQWHBSA-N 444.483 5.248 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)c1cccc2ccccc12 1875158885 RSKJIHGTVQVYAK-MHWRWJLKSA-N 440.470 6.493 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)c1cccc(C)c1 1875158910 SVJDTNNMYXYKTJ-NTEUORMPSA-N 430.475 5.987 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(C)c([N+](=O)[O-])c1 1875159539 TUFSQTGEUSCMEI-NYYWCZLTSA-N 435.407 5.166 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)ccc1OC(=O)c1cccc(F)c1 1875190628 YIGSWURTJPUQGH-PKNBQFBNSA-N 448.490 5.965 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(Cl)ccc3Cl)cc2)cc1 1875191290 GVFLFNKBACUXEE-VGOFMYFVSA-N 425.311 6.671 30 10 IKEE CCCCCCCCC[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875584113 RFAHEPBXFCQWRO-MUUNZHRXSA-N 446.631 8.019 30 10 IKEE Cc1c(C(=O)N2CCC(COc3ncccc3C#N)CC2)sc2ccc(Cl)cc12 1891235956 JJLHRHCSJZLNDD-UHFFFAOYSA-N 425.941 5.061 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](Cc2cccc(Cl)c2Br)NCC)C1 1892684197 JNUVVBQBECLIMK-INIZCTEOSA-N 443.813 5.237 30 10 IKEE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCC#N)C(C)(C)CC 1901533865 CWAJOKDHRQZKMR-DEOSSOPVSA-N 447.579 5.235 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)C(C)(C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1922123503 AOFAXBXNVVPKOV-GOTSBHOMSA-N 430.633 5.411 30 10 IKEE CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 1941060595 CPGNEVSXOLBMSK-NTKDMRAZSA-N 437.625 5.778 30 10 IKEE CC[C@@](C#N)(CCNC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)c1cccc(OC)c1 1942387487 DUIFRCFYDCPPAU-QHCPKHFHSA-N 433.549 5.024 30 10 IKEE C=C([C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NC)C(C)(C)C 1947494975 XZXOWBQDSNVLCA-QFIPXVFZSA-N 429.649 5.126 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@]2(CC[C@]2(C#N)N(C(=O)OC(C)(C)C)C2CCCC2)C1 2013353825 FVQDKGLAASMWGU-BJKOFHAPSA-N 433.593 5.240 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1 2022132370 BZWUZYYAGDZAOU-DVECYGJZSA-N 429.561 5.276 30 10 IKEE Cc1ccc(N=C2SCC(C)(C)N2C(=O)C=Cc2c(Cl)nc3sccn23)c(C)c1 2040436346 LWTUKQQBTRGLFZ-UHFFFAOYSA-N 445.013 5.721 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CCC2(CCC2)N(C(=O)OC(C)(C)C)C1 2067079871 UZRCOAIGBVFMJR-RPWUZVMVSA-N 442.644 5.697 30 10 IKEE N#C[C@@H]1CCCC[C@@H]1NCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071263974 BUKDMIVOQQAYAU-UIOOFZCWSA-N 426.560 6.017 30 10 IKEE C=C1C[C@H]1C[C@@H](NCCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071267884 USUNVPCZNVHQQI-RRPNLBNLSA-N 427.588 6.852 30 10 IKEE CC#CCCC[C@H](NCCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2073676310 LKVAHJMBBBITBB-RPLLCQBOSA-N 442.644 5.392 30 10 IKEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@H]1CN(Cc2ccccc2)C2(CCCCCC2)C1 2076346996 OBEKGDVMPJJBSF-DEOSSOPVSA-N 441.660 5.415 30 10 IKEE CC[C@H](c1ccc(C2CC2)cc1)n1nc(C2CCC2)c(C#N)c1I 2079040941 ULZDVQVORZLGRA-GOSISDBHSA-N 431.321 5.504 30 10 IKEE CC1(c2nn(Cc3cc(C(F)(F)F)ccc3F)c(Br)c2C(F)(F)F)CC1 2079827085 GDIMEJANKRLHPU-UHFFFAOYSA-N 445.176 5.922 30 10 IKEE CC[C@H](c1ccc(C(C)C)cc1)n1nc(C(C)C)c(C=NO)c1I 2079907523 ZDURYQQUINMFQC-QGZVFWFLSA-N 439.341 5.542 30 10 IKEE CC(C)c1ccc([C@H](n2nc(C(F)F)c(C=NO)c2Br)C2(C)CC2)cc1 2080007142 NJWJXGXTICOQAS-INIZCTEOSA-N 426.305 5.904 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C1(NC(=O)OC(C)(C)C)CCC(C)(C)CC1 2082394710 ZTNFONUUHPIODX-QHCPKHFHSA-N 444.660 5.991 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Br)c1Cl)NCC 2110495449 PWEXUUAPZOBMIN-IAGOWNOFSA-N 445.829 5.483 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@@](C#N)(Nc3ccccc3Br)C[C@H]21 2166974114 PPJLOTPDRDCVJU-FQELHTAISA-N 434.378 5.323 30 10 IKEE C[C@H](Nc1ccc(C#N)c(Br)c1F)[C@@H](NC(=O)OC(C)(C)C)c1ccco1 2172876161 CPYMEGZBTIKAJB-APPDUMDISA-N 438.297 5.119 30 10 IKEE CC(C)(C)OC(=O)NCC1(F)CCC(CNc2cc(Br)ccc2C#N)CC1 2178646852 ZAHIEEQNSLNADW-UHFFFAOYSA-N 440.357 5.156 30 10 IKEE C#CC[C@H](C[C@@H](NCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C)C1CC1 2196849778 RKMLWDJKGJWSIY-VQIMIIECSA-N 435.406 5.886 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1cccc2c1OCO2 2233875149 WHKNVDDHYJDUJY-INIZCTEOSA-N 431.286 5.184 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](CCC(=O)C#Cc2ccccc2Br)C1 2235717267 IYWMLQQZHGJRRL-WMZOPIPTSA-N 434.374 5.233 30 10 IKEE COc1cccc(C#CC(=O)c2ccc(NC(=O)OC(C)(C)C)c(Br)c2)c1 2237854742 SXUGNSRCYDJPRC-UHFFFAOYSA-N 430.298 5.039 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@H]1C[C@@H]2C[C@H](C1)CN(C(=O)OC(C)(C)C)C2 2249752655 DQDOZKVDMXVRIA-UEQSERJNSA-N 428.617 5.021 30 10 IKEE Cc1c(NC(=O)OC(C)(C)C)cccc1NC(=O)[C@H]1C[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2255610931 DUJKYLPIBAFPOL-IYBDPMFKSA-N 430.354 5.153 30 10 IKEE Cc1cc(C(=O)N(Cc2ccccc2)c2ccccc2)c(B2OC(C)(C)C(C)(C)O2)s1 2255634315 PDOAUCSSYWWYOZ-UHFFFAOYSA-N 433.382 5.203 30 10 IKEE Cc1c(Cl)cc(C(=O)N(Cc2ccccc2)C(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255816064 YMMFABPAQXCOMS-UHFFFAOYSA-N 441.808 5.389 30 10 IKEE C=CCCC1(C(=O)Cc2cc(Cl)ccc2Br)CN(C(=O)OC(C)(C)C)C1 2266232635 FKUATWRRKHYPNZ-UHFFFAOYSA-N 442.781 5.417 30 10 IKEE C=CCCCC[C@@H](OCCC(=O)O)c1scc(Br)c1Br 2291485924 VNFXTNIZGKBZAL-LLVKDONJSA-N 426.170 5.552 30 10 IKEE C=CCN1C(=O)SC(=Cc2cc(Cl)c(OCc3ccc(F)cc3)c(OCC)c2)C1=O 2294013999 QSMHDNDAYHFFEK-UHFFFAOYSA-N 447.915 5.679 30 10 IKEE Cn1cc(C=C2Oc3cc(OCc4ccc(F)cc4Cl)ccc3C2=O)c2ccccc21 2296592346 PDIMBRULMIXPCZ-UHFFFAOYSA-N 433.866 6.166 30 10 IKEE CC(C)c1ccc(C=C2Oc3c(ccc4c3CN(CCc3ccccc3)CO4)C2=O)cc1 2321937216 ZYHONHVHDBLLAV-UHFFFAOYSA-N 425.528 5.821 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1cccc(Cl)c1)O3)CN([C@H](C)c1ccccc1)CO2 2322092337 HFRMFMIJHIHISE-QGZVFWFLSA-N 431.919 6.178 30 10 IKEE O=C(C=Cc1c(OCc2ccccc2Cl)ccc2ccccc12)c1ccc([N+](=O)[O-])cc1 2322474528 FMWWZDOMNWJWSI-UHFFFAOYSA-N 443.886 6.877 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)c1OCCc1ccccc1 2322585684 FPKNKBVBRDBMSX-UHFFFAOYSA-N 427.327 6.520 30 10 IKEE CCN(CC)C(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccc(C(C)(C)C)cc1 2322685612 RJYTWQGERSPIPL-UHFFFAOYSA-N 443.587 6.281 30 10 IKEE Cc1cccc(COc2ccc(Br)cc2C=CC(=O)c2ccc(C)c(C)c2)c1 2322884741 HJSXGTUHRTZOLK-UHFFFAOYSA-N 435.361 6.849 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cc(Cl)ccc1OCCc1ccccc1 2322926416 YCPCFNWDFYLVBY-UHFFFAOYSA-N 441.354 6.828 30 10 IKEE CCc1ccccc1NC(=O)COc1cccc(C=CC(=O)c2cc(C)c(OC)cc2C)c1 2323323519 KXPKAIOGKDJOHH-UHFFFAOYSA-N 443.543 5.788 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)ccc2OC)cc1OCc1ccccc1F 2323331684 BMEVDOPNQKJXJX-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(OC)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 2323461702 MVIOOBKEGVRYDK-UHFFFAOYSA-N 436.935 6.395 30 10 IKEE N#C[C@H](C(=O)C=Cc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc3ccccc3c2)cs1 2324352118 KWZXJNJYTUVRSO-OAQYLSRUSA-N 425.469 5.761 30 10 IKEE COc1cccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccccc4)cc(C)c3C2=O)c1 2324404231 KBICJWBTFPZVCY-QGZVFWFLSA-N 429.472 5.026 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc([N+](=O)[O-])c1OCCc1ccccc1 2324451822 GOAUBGLOWURDBI-UHFFFAOYSA-N 445.515 6.128 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OCc1c(Cl)cccc1Cl 2324456111 XDYHIFACHPEQIY-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE Cc1cc(C)c(COc2ccc3c(c2C)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)cc1C 2324765360 KHJKBRIZPQXTSG-UHFFFAOYSA-N 429.472 6.024 30 10 IKEE Cc1cccc(C(C)C)c1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccco1)C2=O 2324990031 ZHEQAHWLNLLUFR-UHFFFAOYSA-N 431.488 5.654 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1ccc2c(c1C)OC(=Cc1cccc(F)c1)C2=O 2325093011 NFCQSOGMKIGFLQ-NRFANRHFSA-N 440.511 6.031 30 10 IKEE Cc1c(OCCC(=O)OCCC(C)C)ccc2c1OC(=Cc1cn(C)c3ccccc13)C2=O 2325103836 YKMVYZHHRQEXLX-UHFFFAOYSA-N 447.531 5.461 30 10 IKEE CCCCCCCCCOc1cc(C)c2c(c1)OC(=Cc1cccc(OC)c1OC)C2=O 2325185377 XRSMTPGIHLYDBW-UHFFFAOYSA-N 438.564 6.758 30 10 IKEE COc1cc(C=CC(=O)C(=O)NC2CCCCCCCCCCC2)cc(OC)c1OC 2325709259 RCEYSKMRJXAUNW-UHFFFAOYSA-N 431.573 5.084 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)CCCOc3ccccc3)c2)cc1C 2325714754 GREJSUZLNDLANQ-UHFFFAOYSA-N 430.500 5.664 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc(OCC(=O)Nc3ccccc3Cl)c2C)C1=O 2325718151 LXOFLSUOGWAWGO-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE C=CCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccco1 2325812291 YLLGRWLQGVKBQJ-UHFFFAOYSA-N 430.961 5.313 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1ccc[nH]1 2325883365 DVSSEXBUWGEQHM-UHFFFAOYSA-N 431.565 5.321 30 10 IKEE CCCSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1ccccc1 2325884201 DKAFHJDDEQOQBH-UHFFFAOYSA-N 430.577 5.827 30 10 IKEE CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1cn(C)c2ccccc12 2326103628 ZDZCFRFSBLBLCU-UHFFFAOYSA-N 439.972 5.223 30 10 IKEE C=C(C)CSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1sccc1C 2326388856 ZGJQRBVHEHOYSL-UHFFFAOYSA-N 440.638 5.827 30 10 IKEE Cc1ccccc1OCCCc1nnc(SCCc2ccccc2)n1N=Cc1ccco1 2327107926 UJGNZEDWGGKWHR-UHFFFAOYSA-N 446.576 5.408 30 10 IKEE CCCCC1CCC(c2nnc(SCCO)n2N=Cc2cn(C)c3ccccc23)CC1 2328202707 FZEFGBVKVYPJOI-UHFFFAOYSA-N 439.629 5.200 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3[N+](=O)[O-])n2N=Cc2cccs2)c1 2328453872 DUHASDCMDKNLKV-UHFFFAOYSA-N 449.561 5.322 30 10 IKEE COc1ccccc1C=Nn1c(COCc2ccccc2)nnc1SCc1ccccc1 2329339670 XBOYYYIWXGXYSY-UHFFFAOYSA-N 444.560 5.178 30 10 IKEE Cc1ccc(C=Nn2c(CCc3cccs3)nnc2SCCc2ccccc2)cc1 2329668891 QZKLUESKKQRTCS-UHFFFAOYSA-N 432.618 5.650 30 10 IKEE COc1ccccc1C=Nn1c(Cc2cccs2)nnc1SCc1ccccc1F 2330390657 RCDUBORTLNEQIP-UHFFFAOYSA-N 438.553 5.253 30 10 IKEE Clc1ccccc1C=Nn1c(SCc2ccccc2Cl)nnc1-c1cccs1 2330587815 SRSLDYZGUKDHCN-UHFFFAOYSA-N 445.400 6.488 30 10 IKEE O=[N+]([O-])c1cccc(C=Nn2c(SCc3cccc(F)c3)nnc2-c2ccccc2)c1 2330651690 IZXHTWDUYOXFKC-UHFFFAOYSA-N 433.468 5.167 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(OC)c1OC(=O)CC(C)(C)C 2330657569 AFMNDDWXQLNVAN-UHFFFAOYSA-N 432.516 6.095 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3ccccc3c2)cc([N+](=O)[O-])c1OC(=O)C(C)C 2330669754 REZNDQWPVGEOPI-UHFFFAOYSA-N 433.460 5.604 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3cccc(OC)c3)c(OC)c2)cc1 2330742485 XVAVNPCXHWMEDT-UHFFFAOYSA-N 446.499 5.390 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2Cl)n1N=Cc1ccccc1Cl 2330850975 RTFPBELUAMFYRZ-UHFFFAOYSA-N 433.408 6.348 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)Oc3ccc(Cl)cc3)cc2)cc1 2330952304 OEICHCLQXDMXIR-QGZVFWFLSA-N 436.891 5.618 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3OC)cc2Cl)cc1 2331358478 BARUAHKELDPINU-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])c1 2331530127 BUFRLBROQUVXRD-UHFFFAOYSA-N 449.434 5.177 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C2CCC2)cc1 2331546352 PZMGATZIVWVOHO-UHFFFAOYSA-N 444.963 5.911 30 10 IKEE Cc1cccc(CSc2nnc(C(C)C)n2N=Cc2ccc(Cl)c([N+](=O)[O-])c2)c1 2331684788 SWNZVEFURUMCEC-UHFFFAOYSA-N 429.933 5.446 30 10 IKEE CC(C)c1ccc(C=CC(=O)Nc2c(C#N)nnn2Cc2c(Cl)cccc2Cl)cc1 2332147541 JVJKULPLOYYASO-UHFFFAOYSA-N 440.334 5.280 30 10 IKEE CC1(C)OB(c2ccc(CSc3cc(F)ccc3F)cc2Br)OC1(C)C 2377293952 JZNUIDUJKIWFIX-UHFFFAOYSA-N 441.146 5.319 30 10 IKEE CCCCCCCCOc1ccc(/C=C2/N=C(c3ccc(Cl)cc3Cl)OC2=O)cc1 2026938 JDEQYODCVVCOEX-PXLXIMEGSA-N 446.374 7.077 30 10 IKEE C=CCN(C(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1)c1ccccc1 9433151 SNTCFGIOXNQWRE-JWQCQUIFSA-N 444.600 5.904 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)CCSc2n[nH]c(N/N=C(\C)c3cccs3)n2)cc1 20835857 GHWLHJHPYOVNQQ-CXQBGCSHSA-N 442.614 5.337 30 10 IKEE N#Cc1ccc(C(=O)N(Cc2ccco2)c2nc3ccc(Br)cc3s2)cc1 22896975 WRASDPWJPKVBFF-UHFFFAOYSA-N 438.306 5.370 30 10 IKEE Cc1ccc(-c2ccc(CCC(=O)NCCOC(C)C)n2-c2ccc(CC#N)cc2)c(C)c1 23336260 NSEVSEFWKBPWPK-UHFFFAOYSA-N 443.591 5.301 30 10 IKEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(OCc2c(C)noc2C)c(OC)c1 32503585 LVLOQRZLSQNYDR-UHFFFAOYSA-N 446.956 5.422 30 10 IKEE Cc1cc(C)cc(-c2cc(/C=C\c3cccc(Cl)c3)c(C#N)c3nc4ccccc4n23)c1 33620947 GNZUKEZCCBPZTM-KHPPLWFESA-N 433.942 7.467 30 10 IKEE COc1ccc(C(=O)COc2ccc3c(c2)O/C(=C/C=C/c2ccccc2OC)C3=O)cc1 33888817 KOFWIWVSKFDSOD-WTAFZHOCSA-N 442.467 5.138 30 10 IKEE CC(=O)Nc1cccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c1 39851024 YVZWYVSASOJPOG-NTCAYCPXSA-N 441.918 6.047 30 10 IKEE Cc1ccc([C@H](CNc2oc(-c3ccccc3[N+](=O)[O-])nc2C#N)N2CCCCCC2)cc1 40374083 IJXVKRMLKNTEHV-QHCPKHFHSA-N 445.523 5.459 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OCc4cc(C)ccc4C)cc(C)c3C2=O)c2ccccc21 41433661 PLEOCUGSVKNHCZ-VYYCAZPPSA-N 437.539 6.782 30 10 IKEE COc1cccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3ccc(C)cc3)C4)C2=O)c1 41587505 NYQPAGATCSHCTD-MSXFZWOLSA-N 427.500 5.280 30 10 IKEE CCCCCCCNC(=O)c1ccc2c(c1)nc(C)n2-c1ccc(Br)cc1 50861915 KNKQDUJBCIIGCW-UHFFFAOYSA-N 428.374 5.797 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(F)cc4)ccc3C2=O)cc1 62883612 REANZDPMBVLADF-IWIPYMOSSA-N 431.463 5.507 30 10 IKEE CCCCOc1cccc(C(=O)Nc2c(C)cc3nc(N/N=C(\C)CC)sc3c2C)c1 78400561 HPVFNCOLFIFGEB-JVWAILMASA-N 438.597 6.542 30 10 IKEE Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C\c1ccc(N(C)C)cc1 98008753 CCHQAHAGXCKWPP-WJDWOHSUSA-N 426.947 6.826 30 10 IKEE C=CCOc1ccc(NC(=O)CNCCCCCCCCCCCCCCCC)cc1 100055687 LYHFOODFUFZXNA-UHFFFAOYSA-N 430.677 7.261 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c(O)ccc3ccccc13)N2 100372808 HTSIDBQSLJNPIE-NDIVSWGXSA-N 427.588 7.721 30 10 IKEE CCN1C(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)S/C1=N/c1ccccn1 101124053 FEEPCHFXMHZGMJ-AGEIGWASSA-N 449.963 5.938 30 10 IKEE CCCCCCCCCCn1c([C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)nc2ccccc21 102103833 OHGZOMALSLDCHS-ILBGXUMGSA-N 445.651 7.254 30 10 IKEE CCC(=N/N=c1\[nH]c2ccccc2n1Cc1ccccc1)/N=N/c1ccc([N+](=O)[O-])cc1O 102754843 HHXQGKWNHWLSFT-MBGKTMOUSA-N 443.467 5.040 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\n2c(S)nnc2C(F)(F)F)cc1Cl 169914487 OOKUZVSUIGHWGH-CFRMEGHHSA-N 448.942 6.251 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccc(OC)cc2)cc1 169924282 VJNVRQDIYZSFCV-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 169975305 XZFZUIVOAAINRZ-NRFANRHFSA-N 441.955 5.252 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2ccccc2)cc1 170051889 GSSCIBVCASVZTF-QHCPKHFHSA-N 431.919 5.994 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1c1ccc(Cl)cc1 170106588 IJDDMYWRHUCOJL-GOSISDBHSA-N 444.339 6.146 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2sccc2C)c1 170106944 UKPILDHVNGODNM-FQEVSTJZSA-N 437.948 6.110 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2Cc2cccs2)c1 170138956 WWKPDJGZKRMOBG-QFIPXVFZSA-N 428.513 5.316 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2cccc(F)c2)c1 170140335 SWLNUAMBERIQGD-GYCJOSAFSA-N 443.474 5.240 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(OCC(C)C)cc1 170167291 KNUNBSOYBULGKU-QHCPKHFHSA-N 433.504 5.456 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccccn2)cc1C 170172227 QGBIDCADJKCNIE-DEOSSOPVSA-N 442.515 5.107 30 10 IKEE Cc1ccc(-c2nc(C3=C(N)N(c4ccc(C(F)(F)F)cc4)CC3=O)sc2C)cc1 170179465 MRTVSXPRCURFDE-UHFFFAOYSA-N 429.467 5.162 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccnc2)ccc1OCC(C)C 170194318 AYUMYHSQZHKQLP-DEOSSOPVSA-N 448.563 5.336 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccncc2)cc1C 170199400 WYUFPRLJNCWHKJ-HSZRJFAPSA-N 446.478 5.101 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccncc2)c1 170204012 QVVIVBDTKVURCE-JOCHJYFZSA-N 448.906 5.305 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccccc2)cc1C 170229320 LWTDCSRWKRDVBT-HSZRJFAPSA-N 449.453 5.373 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccccc1 170231049 PZLCIFCXABQXBM-XMMPIXPASA-N 440.543 5.466 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(CC)cc1 170268270 OUBWUYDOGJGMAO-VWLOTQADSA-N 427.544 6.171 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccc2C)cc1 170270874 RNFISWPYSXZJEL-QHCPKHFHSA-N 431.463 5.316 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1ccco1)c1ccc2ccccc2c1 170296836 ZRNZNDVATULJQL-XMMPIXPASA-N 441.458 5.393 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@@H]1c1c(C)[nH]c2ccccc12 170312075 HLWOTGMPQJENTJ-QFIPXVFZSA-N 436.483 5.002 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1sccc1C 170314196 SJFWNJGKJCUHLU-NRFANRHFSA-N 447.556 5.773 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]2c2ccc(OC(C)C)cc2)c1 170472640 HVTQYEZURKRQLU-DEOSSOPVSA-N 437.536 5.388 30 10 IKEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]3c3ccc(OC(C)C)cc3)nc2c1 170474567 SJKHHJVZHMIUKV-OAQYLSRUSA-N 447.535 5.174 30 10 IKEE CC(C)CN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)SC1=Nc1ccccc1 252605153 GGPQGDDEVVCVMA-OTGOLFGCSA-N 446.528 5.905 30 10 IKEE COc1cccc(/C=C2\SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)c1O 252632447 VTQQBIKOGKYPLQ-JXJWTFEASA-N 430.529 5.826 30 10 IKEE C[C@H](Nc1ccc(C#N)c(Br)c1)c1ccc(I)cc1 312035494 ZNMMSANPPOXFFT-JTQLQIEISA-N 427.083 5.098 30 10 IKEE O=C(OCc1ccccc1)N1C[C@@H](CS)[C@H](c2ccc(Br)cc2Cl)C1 382717713 LNILPHFUUQLZIM-WMLDXEAASA-N 440.790 5.385 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1c(F)ccc(Br)c1F)NCC 407324256 DPKHOKITEKVDQI-SJORKVTESA-N 447.364 5.107 30 10 IKEE Cc1cccc(CSc2nncn2/N=C\c2ccc(OCCCc3ccccc3)cc2)c1 526808515 NGQIPXULCOYJJJ-VEILYXNESA-N 442.588 5.773 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)Nc3ccccc3C)C2)c1 585880970 TYINLFZZWMZLTG-JOCHJYFZSA-N 434.584 5.259 30 10 IKEE Cc1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(OC(C)C)cc2)c(F)c1 586256622 ZPZHQKSJESOPOZ-UHFFFAOYSA-N 438.524 5.189 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCc2ncccc2C1 698449878 ACYKCXWLDMHPGS-NRFANRHFSA-N 428.330 5.037 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1ccc(F)c(C#N)c1 698455512 CTKBWQMUUZCESU-GOSISDBHSA-N 430.277 5.466 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@@H]3C[C@@H](CN3Cc3ccccc3)C2)c1 716619830 IOCCKUMCSRFAAJ-RWCIVJTCSA-N 431.580 5.683 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 724093894 VKOWRXHXZHKQNX-CLOONOSVSA-N 449.636 5.924 30 10 IKEE COc1ccccc1CNN=Cc1ccccc1OCc1ccc(Br)cc1 1083981452 NAKWUYHMETWDKQ-UHFFFAOYSA-N 425.326 5.160 30 10 IKEE Oc1ccccc1C=Nc1cc(C(F)(F)F)ccc1Oc1ccccc1-c1ccccc1 1084162874 VJFDDNFLIOKMDM-UHFFFAOYSA-N 433.429 7.621 30 10 IKEE Cc1ccc(N=C2S/C(=C/c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)C(=O)N2C)cc1 1084265583 XYLRHVASCIVPNR-HBAYPHMUSA-N 445.544 5.335 30 10 IKEE Brc1cccc(C=Nc2ccc(N=Cc3cccc(Br)c3)cc2)c1 1565517339 TWSDGKLFGHULOB-UHFFFAOYSA-N 442.154 6.713 30 10 IKEE CC(C)(C)c1ccc(OCCOc2cccnc2NC(=O)Nc2cccc(C#N)c2)cc1 1858857098 IIMOEILLMDZYKO-UHFFFAOYSA-N 430.508 5.353 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc3c(OC(=O)/C=C/c4ccc(F)cc4)cccc23)c1 1858930073 QNTLBNYIIXDTEH-NTCAYCPXSA-N 436.442 5.722 30 10 IKEE Cc1cccc(OCC(=O)Nc2ccc(Cl)c(NC(=O)c3cccc(C#N)c3)c2)c1C 1860452578 OSMPFJXCKMYAJP-UHFFFAOYSA-N 433.895 5.098 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)/C=C/c1ccc(Cl)c(Cl)c1 1861571608 ZDMPYAYYBVPNRF-AXDNMFEOSA-N 441.443 6.158 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(F)cc1F 1862381017 PRXJLABCDKEGFO-MLCYQJTMSA-N 440.273 5.648 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCc2cccs2)cc1 1862412909 QBOMKVHNDKGWLE-OAQYLSRUSA-N 439.483 5.156 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccccc1Cl 1862432281 AWUQZUCADNLNLZ-HXUWFJFHSA-N 432.347 6.152 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)cc1Cl 1862451269 ARMHWPHWTGWKQX-SFHVURJKSA-N 438.738 5.881 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCc2ccccc2)c1 1862490367 UGTGLBBJCOQGNN-VWLOTQADSA-N 425.528 5.433 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 1862522013 WWIHEUUCYJFKHL-HXUWFJFHSA-N 446.330 5.523 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)cc1 1862532771 GEMCEQDBAYRMND-VVMVZBAXSA-N 447.575 5.805 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(O)c2)=C(O)C(=O)N1Cc1ccc(Cl)cc1 1862589732 RWCXRFXNQGRFEV-JOCHJYFZSA-N 433.891 5.133 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(Cl)cc1Cl)c1cccc(O)c1 1862598969 ZIJVHKWJTFKISK-LJQANCHMSA-N 432.303 5.220 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(F)cc2F)cc1 1862660220 HDEGGZPALZWJBX-HSZRJFAPSA-N 439.502 5.999 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2ccc(O)cc2)cc1 1862663326 RRQWAXSEXWXTDE-HSZRJFAPSA-N 447.556 5.398 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccc(C)cc2)cc1 1862713702 UOMDGTALXBRJNQ-HHHXNRCGSA-N 447.534 6.235 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(F)cc2F)C1=O 1862936331 HZXUVZZGMJCEBQ-UHFFFAOYSA-N 449.844 5.195 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(F)c(C)c3)C2=O)c1 1863086381 MZWYADYZDNGHNE-UHFFFAOYSA-N 425.463 5.019 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2Sc2ccccc2)=C(c2ccc(Cl)cc2)C1=O 1863174264 ZGYIWBXMIXIFOY-UHFFFAOYSA-N 446.959 5.869 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(Cl)cc2)=C(c2ccccc2F)C1=O 1863292172 DLXLMEOPUKENNF-UHFFFAOYSA-N 428.935 6.032 30 10 IKEE CC[C@@](C)(NC(=O)C[C@@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1cccc(C#N)c1 1866781396 IPOLRKWMJABEBG-RPLLCQBOSA-N 443.522 5.143 30 10 IKEE CCCCCCOc1ccc(C(=O)Nc2c(C#N)nnn2Cc2c(C)cc(C)cc2C)cc1 1870107525 MNXWRCMVANGUJO-UHFFFAOYSA-N 445.567 5.335 30 10 IKEE Cc1cc(Cl)ccc1-n1nnc(C#N)c1NC(=O)c1cccc(Oc2ccccc2)c1 1870153651 DZJITAORFQLMHP-UHFFFAOYSA-N 429.867 5.145 30 10 IKEE C=CCn1cc(OCCCc2ccccc2)c(=O)cc1CSCc1nc2ccccc2[nH]1 1870190506 ZKZHLKHUHFQEGI-UHFFFAOYSA-N 445.588 5.356 30 10 IKEE CCCCCCCOc1cn(CCC2=CCCCC2)c(CN(CC)CCCC)cc1=O 1870416856 SADZDFPCHNFELW-UHFFFAOYSA-N 430.677 6.710 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2C)c(CNc2cccc(F)c2)cc1=O 1870836199 IHGHYLJYJYPYCF-UHFFFAOYSA-N 436.571 6.305 30 10 IKEE CCCCCCCCn1cc(OCCCCC)c(=O)cc1CNc1ccc(C(C)C)cc1 1871130205 IFLVWFJZVKVAKN-UHFFFAOYSA-N 440.672 7.513 30 10 IKEE Cc1cccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2Cc2ccccc2C)c1 1871250460 GFEZAQYLRIXICC-UHFFFAOYSA-N 449.554 5.576 30 10 IKEE N#Cc1ccc(COc2cn(Cc3ccccc3)c(CNc3ccc(F)cc3)cc2=O)cc1 1871252117 LIYPMPKTBQDHRJ-UHFFFAOYSA-N 439.490 5.098 30 10 IKEE CCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CNc1ccc(OC)cc1 1871257559 HOIOHTWNIGWNLW-UHFFFAOYSA-N 428.617 6.254 30 10 IKEE C=CCOc1cccc(C(=O)Nc2ccc3c(C)c(C(=O)c4cccc(OC)c4)oc3c2)c1 1871359308 ZZCIKZYSCJZIRN-UHFFFAOYSA-N 441.483 5.798 30 10 IKEE Cc1ccc(CCC(=O)Oc2ccc3c(c2)O/C(=C\c2cn(C)c4ccccc24)C3=O)cc1 1871366251 AIAWDKHFDNLYJH-YSMPRRRNSA-N 437.495 5.641 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4c(F)cccc4Cl)c3C)C2=O)cc1 1871375613 UYMDAFMFHZZSBS-BKUYFWCQSA-N 436.866 6.185 30 10 IKEE CC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(C)c2)C3=O)c1 1871390402 UVTLXUASTWYCPL-FMCGGJTJSA-N 428.440 5.064 30 10 IKEE CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1sccc1C)C2=O 1871403384 WXDDLTZEHYALFQ-VOMLJKFNSA-N 449.528 5.477 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OCCCCOc4ccccc4)c3C)C2=O)cc1 1871403666 SZZXCVKGTFQPIC-BWAHOGKJSA-N 430.500 5.858 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871407143 MUXRTNFRBDCUEP-SNNLMFDCSA-N 429.472 5.026 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871409082 WVHGZIXODGBTEY-SUVVMJBMSA-N 431.463 5.465 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccccc4C)cc(C)c3C2=O)cc1 1871409503 PNAQJYRSIYSQFM-MGKUZBKYSA-N 441.527 5.888 30 10 IKEE COC(=O)c1cccc(COc2cc(C)c3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)c1 1871417369 KHLURBYLAKUJML-LZNIEJQKSA-N 426.468 5.533 30 10 IKEE N#Cc1ccc(COc2ccc3c(=O)c(-c4ccc(Br)cc4)coc3c2)cc1 1871417801 RDQICPWNGWKLIU-UHFFFAOYSA-N 432.273 5.673 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O)Nc1ccc2ccccc2c1 1871419138 ANKQSDQNSHFBEL-MXAYSNPKSA-N 439.442 5.613 30 10 IKEE CCCCCCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 1871422133 TYCMCLRBVGOXIA-MTJSOVHGSA-N 449.330 6.112 30 10 IKEE CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1C)O/C(=C\c1cn(CC)c3ccccc13)C2=O 1871434362 RTMNIAOEVMYDKS-HRXKUDGMSA-N 447.531 5.696 30 10 IKEE CCCCCCCCCCN=c1nc(N(CC)CC)[nH]c(=Nc2ccccc2CC)[nH]1 1871558526 LEXVOTIMHUXMGP-UHFFFAOYSA-N 426.653 5.420 30 10 IKEE C=CCN=c1nc(Nc2ccc(Nc3ccccc3)cc2)[nH]c(N(CCCC)CCCC)n1 1871606202 QBGCUHNGVWTXTP-UHFFFAOYSA-N 445.615 5.785 30 10 IKEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1872077876 CRXZRMCBZAEBBN-DEOSSOPVSA-N 442.625 5.096 30 10 IKEE CCCCCCCCCOc1ccc(-c2nc3ccc(C(=O)NCC)cc3[nH]2)cc1Cl 1872729748 CGEHESSCJOZTLJ-UHFFFAOYSA-N 442.003 6.762 30 10 IKEE CC(C)(C)c1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 1872763867 XTBGLXPSTAJSGT-QARGNGGGSA-N 431.517 5.905 30 10 IKEE COc1cc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc(OC)c1OC 1872783076 QWJNYYPNMNKFLL-QRBZPYHOSA-N 448.544 5.342 30 10 IKEE Cc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(C)c(C)c3)cs2)c(C(C)(C)C)c1 1872783397 YWHQIFHHPNEVFU-HXUWFJFHSA-N 432.589 6.288 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)n1 1872784984 BUHXIBIEZYCZBC-APWZRJJASA-N 437.609 5.239 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc2nc(Cc3ccc(OC(C)C)cc3)[nH]c2c1 1872811318 PGIFGDYZRQZPBT-UHFFFAOYSA-N 449.639 6.811 30 10 IKEE CCCCCCCCCCNc1ncnc2c1ccc(=O)n2-c1ccc(NC(C)=O)cc1 1873537206 GNOJDSLHCRLEQG-UHFFFAOYSA-N 435.572 5.292 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1/N=C/c1ccccc1 1874194710 CYKWZRUZWOQKDN-OVVQPSECSA-N 448.636 6.138 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccccc1 1874213043 RRKVTANKGOOZNM-BUVRLJJBSA-N 426.973 5.494 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(COc3ccc(Cl)c(C)c3)nnc2SC)cc1 1874229719 YLKRBPDRIGTSMU-ZVHZXABRSA-N 444.004 5.269 30 10 IKEE CCCOc1ccc(/C=N/n2c(COc3ccc(Cl)cc3)nnc2SCCC)cc1 1874264788 PKUMQEJRDLZLNX-BUVRLJJBSA-N 444.988 5.684 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2/N=C/c2ccccc2OC(C)C)CC1 1874287512 JAAMOTYVBCZTLN-NLRVBDNBSA-N 442.673 6.914 30 10 IKEE Clc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2/N=C/c2ccco2)cc1 1874343530 VUDWHIFXPOJKDK-ZMOGYAJESA-N 443.359 5.943 30 10 IKEE Cc1cccc(CSc2nnc(CCOc3ccccc3)n2/N=C/c2ccc(F)cc2)c1 1874344795 GEZQXJNEQCRSRH-WPWMEQJKSA-N 446.551 5.522 30 10 IKEE CCCSc1nnc(CCOc2ccccc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874346784 GHGYMGJPPLEMJD-OEAKJJBVSA-N 435.380 5.591 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2ccccc2C)cc1C 1874355864 FXOSAFMLMSIOSQ-OGLMXYFKSA-N 440.616 6.277 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccccc1 1874362070 MMZVUKMQEPEZLJ-WPWMEQJKSA-N 447.007 6.200 30 10 IKEE Cc1cccc(CSc2nnc(CCc3cccs3)n2/N=C/c2ccccc2F)c1 1874369977 AWCCXDINWQAQMI-MFKUBSTISA-N 436.581 5.747 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2ccc(C)cc2)nnc1[C@H]1CCCO1 1874441704 HBGWXGASPQWYKB-NJRDNMGOSA-N 434.565 5.177 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(C3CCC3)n2/N=C/c2ccccc2Cl)o1 1874495296 DNYLIDFPILUMRS-FSJBWODESA-N 444.944 5.143 30 10 IKEE Sc1nnc(-c2cccs2)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874559112 WZALYWVWJWMXHT-WSDLNYQXSA-N 426.954 5.410 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(F)c(C)c2)c1OCc1ccc(Cl)cc1 1874581651 ZCBMNEANGGHSKF-UXBLZVDNSA-N 445.317 6.925 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(F)cc2)c1OCC(=O)Nc1cccc(C)c1C 1874584360 KGOGITTUUNOLKJ-NTCAYCPXSA-N 433.479 5.365 30 10 IKEE CCCOc1c(OC)ccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)c1Br 1874598679 YUZATNODUPXCEL-JXMROGBWSA-N 433.342 5.768 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OCCCO 1874602030 QGWAOZYYIKIMSY-LFIBNONCSA-N 428.528 5.748 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OC 1874602745 CBFXUFFVKDQUPQ-VZUCSPMQSA-N 443.326 6.486 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OCC(=O)Nc1cccc(C)c1 1874618746 QVVDBSZSGBECDR-ZRDIBKRKSA-N 429.516 5.534 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OCc1ccccc1Cl 1874629234 SHIMQURKUXPUBC-ACCUITESSA-N 448.990 7.447 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)ccc1OCc1ccc(F)cc1 1874635016 CUYXTCPRIFHTDJ-NTEUORMPSA-N 432.535 6.915 30 10 IKEE Cc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(Cl)cc3Cl)c2)cc1C 1874695789 RZAAILVVQVASII-YRNVUSSQSA-N 425.311 6.726 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OC(=O)Cc1ccccc1Cl 1874696755 FRVOXVNYUMWJCW-ZRDIBKRKSA-N 441.310 6.046 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OC(=O)CCOc1ccccc1 1874701065 ZWSISAVYBTTZCD-NTUHNPAUSA-N 436.891 5.619 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)OCO4)c2)cc1 1874707495 IMGSKKMEACGBIS-UKTHLTGXSA-N 444.483 5.384 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C(F)(F)F)c(Cl)c1)c1ccc(-c2ccccc2)cc1 1875078532 PLHCHXAQIOFCTD-WUXMJOGZSA-N 430.809 6.371 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccnc2)c(Cl)c1)c1ccc(Br)cc1 1875109813 GNFPHIDTQPXBDM-YCRREMRBSA-N 442.696 5.613 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Br)cc2)cc(OC)c1OC(=O)C(C)C 1875110937 KVNLMLQHACOFCT-KPKJPENVSA-N 443.337 5.644 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1OC(=O)CCCSC 1875136981 PUGUUYLTCHKSJB-FMIVXFBMSA-N 443.521 5.247 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc([N+](=O)[O-])c1OC(=O)c1ccccc1 1875141981 FZVRCQMQBGUWAM-FMIVXFBMSA-N 449.434 5.556 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc(OC)c1OC(=O)CCCC 1875147912 RQFNNUNYIQFNEK-PKNBQFBNSA-N 436.504 5.187 30 10 IKEE Cc1ccccc1CCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1 1875148351 BRNLBLUQTXPOOI-YBFXNURJSA-N 426.556 6.727 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1)c1ccc(F)cc1 1875157922 VKFSYPWURSIWJT-AWNIVKPZSA-N 425.253 5.704 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)CSc2ccccc2)cc1 1875169935 UXUVGCGNHWUNQE-SDNWHVSQSA-N 432.541 5.906 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc4c(c3)OCO4)c(Cl)c2)cc1C 1875175541 VDMGLTNALMWNRI-XBXARRHUSA-N 434.875 5.801 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)Cc1ccccc1 1875181816 YWKLSIQIIIFFSE-ZHACJKMWSA-N 448.946 6.318 30 10 IKEE C=C(COC(C)C)C(=O)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875685461 DKUHJIMVQIGZIK-NDEPHWFRSA-N 446.543 5.428 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1(C)C 1880059623 ROWPGDDWFMMSBE-HOYKHHGWSA-N 429.561 5.009 30 10 IKEE C[C@@H]1[C@@H](C)[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C 1892768367 VQLDEPSOHOABAT-RRQZXNHTSA-N 443.588 5.351 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CCCC[C@@]1(C)NC(=O)OC(C)(C)C 1922078578 XTYXLIPWKFPOEN-JCYRPKCISA-N 430.633 5.601 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)C12CCC(NC(=O)OC(C)(C)C)(CC1)CC2 1922095501 VEOFPWIRZAUARY-OMXGPXTPSA-N 442.644 5.745 30 10 IKEE CC(C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CN(Cc2ccccc2)C2(CCCCCC2)C1 1950505100 RTKYUWWODAGNNQ-SANMLTNESA-N 425.617 5.893 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](Cc1cccs1)NC(=O)OC(C)(C)C 2004743768 FMGCZLWWCPBISI-PKTZIBPZSA-N 444.641 5.325 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCC23CN(C(=O)OC(C)(C)C)C3)cc1 2009509237 IWMNORQNGBIOMF-XMMPIXPASA-N 427.545 5.030 30 10 IKEE C[Si](C)(C)C#CCOc1c(Br)cc(Br)cc1Br 2014171433 SBGKUYMPSYGCLH-UHFFFAOYSA-N 441.033 5.234 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2016232138 ZIWIOZZFGARWOE-KOSHJBKYSA-N 435.609 5.486 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@]2(C)CCCN2C(=O)OC(C)(C)C)cc1 2020803090 RZAFPXFMWCSPMA-DVECYGJZSA-N 429.561 5.418 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@@H](C#N)[C@]1(C)CCCN1C(=O)OC(C)(C)C 2020804267 NSWFCUVYIDVAQL-MBSDFSHPSA-N 449.979 5.763 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C1 2041560868 VWMOGYJRNRFMMY-BXKMTCNYSA-N 447.551 5.497 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)[C@H]2CCCC[C@@H]21 2058930099 QLEJZBJUFGRGAJ-RLSLOFABSA-N 447.620 5.628 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)cc1 2066218163 LSSBMCGRUXCKGJ-HOYKHHGWSA-N 445.560 5.022 30 10 IKEE CC[C@H](c1ccc(C2CCC2)cc1)n1nc(C2CC2)c(C#N)c1I 2079945543 JCGCCWNTTFTPPG-GOSISDBHSA-N 431.321 5.504 30 10 IKEE COc1ccc([C@@H](n2nc(C(F)F)c(C=NO)c2Br)C(C)(C)C)c(C)c1 2079950428 FIBXPHYXPXCPOF-OAHLLOKOSA-N 430.293 5.344 30 10 IKEE Fc1ccc(-c2c(C(F)(F)F)nn(C(F)(F)F)c2Br)cc1C(F)(F)F 2080829601 OQKCRYUHRIBNLW-UHFFFAOYSA-N 445.054 5.966 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@@H]1Nc1cccc(Br)c1C#N 2162335053 NXDMBCLQGAJHLO-RDTXWAMCSA-N 434.378 5.206 30 10 IKEE Cc1cc(C(=O)Nc2cc(Br)ccc2C#N)ccc1NC(=O)OC(C)(C)C 2181132623 IPVKGKPZKYUBNY-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE CC(C)(C)OC(=O)NCc1ccc([C@](C)(C#N)Nc2ccccc2Br)cc1 2187539777 CGMMURMZOBTANY-NRFANRHFSA-N 430.346 5.325 30 10 IKEE O=C(C#Cc1ccccc1Br)c1cc(Br)sc1Br 2220272984 NZXGJWNYHXQLRD-UHFFFAOYSA-N 448.961 5.270 30 10 IKEE CCCCCCCC[C@@H](N)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237410643 YBYHJXCYYYTCBE-UXHICEINSA-N 441.454 5.963 30 10 IKEE Cc1cc(C(=O)N(Cc2ccccc2)c2ccccc2)sc1B1OC(C)(C)C(C)(C)O1 2255872876 FUGYWSLTKYDNEV-UHFFFAOYSA-N 433.382 5.203 30 10 IKEE CC1(C)OB(c2ccc(C(=O)N(Cc3ccccc3)c3ccccc3)cc2Cl)OC1(C)C 2267415159 XVCKHCBTCTWCHX-UHFFFAOYSA-N 447.771 5.486 30 10 IKEE C=CCC1(COc2cc(C)c(N)cc2Br)CCN(C(=O)OC(C)(C)C)CC1 2287842654 RVZLFAXMFUUGAQ-UHFFFAOYSA-N 439.394 5.312 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H](CCC)CNC(=O)OC(C)(C)C 2296310647 MCVBECRLTYQTNE-ICSRJNTNSA-N 437.422 5.110 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1c(F)cccc1Cl)C2=O)c1ccc(Cl)cc1 2296867431 OVXVSIRWDWSKLO-UHFFFAOYSA-N 443.257 6.010 30 10 IKEE CSC1=NC(=Nc2ccc(C)cc2)C2(CCC(C(C)(C)C)CC2)N1c1ccc(O)cc1 2297727371 NFFYEENYLFGDQW-UHFFFAOYSA-N 435.637 6.945 30 10 IKEE C=Cc1ccc(COc2cc(C)c3c(c2)OC(=Cc2ccc(C(=O)OC)cc2)C3=O)cc1 2321876181 YAAKXEJZSNNERO-UHFFFAOYSA-N 426.468 5.620 30 10 IKEE Cc1cc(OCc2cc(Cl)cc3c2OCOC3)cc2c1C(=O)C(=Cc1ccccc1)O2 2321876676 KCNMKPFBXQNHFC-UHFFFAOYSA-N 434.875 5.710 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(N(C)C)cc1)O3)CN(Cc1ccc(F)cc1)CO2 2322052241 YCWHXNVIDPPTJR-UHFFFAOYSA-N 444.506 5.168 30 10 IKEE CC[C@@H](C)N1COc2cc(C)c3c(c2C1)OC(=Cc1cc(Cl)cc2c1OCOC2)C3=O 2322092252 LJLGYSICMHSHBX-CQSZACIVSA-N 441.911 5.082 30 10 IKEE Cc1ccc(C(=O)C=Cc2c(OCC(=O)Nc3cc(C)ccc3C)ccc3ccccc23)cc1 2322591576 LCGMZDRNJFANLZ-UHFFFAOYSA-N 449.550 6.679 30 10 IKEE Cc1c(OC(=O)c2ccncc2)ccc2c1OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2322828465 HLUYYXLZJVRPLM-UHFFFAOYSA-N 426.255 5.532 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1OCC(=O)Nc1ccccc1C 2323126470 XCZJCHHKTNTFLH-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc3C2=O)cc1 2323153215 MOOCZNSTFGFHJW-UHFFFAOYSA-N 443.455 5.728 30 10 IKEE COc1ccc(-c2cc(O)nc(NN=Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)n2)cc1 2323260261 NHTHXNSUMXFNRJ-UHFFFAOYSA-N 448.567 5.604 30 10 IKEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@@H](C2CCC2)C1 2323474398 OMJZZYNYNQVOQQ-GJZUVCINSA-N 442.600 5.088 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Cl)c(OCC(=O)OCCC)c(OC)c2)cc1 2323533056 ORHMDJHCRDFMIR-UHFFFAOYSA-N 444.955 5.919 30 10 IKEE CCN(CC)C(=O)COc1c(Cl)cc(C=CC(=O)c2ccccc2Cl)cc1OC 2323602416 MUMUXVXJBRZQNM-UHFFFAOYSA-N 436.335 5.145 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 2323701332 DQGCBKGYKAEPQI-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE C=C(C)COc1c(Br)cc(C=CC(=O)c2cccc(Cl)c2)cc1OCC 2323768204 ZESVBDMZTZPIJZ-UHFFFAOYSA-N 435.745 6.352 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc4c(c2)OCO4)C3=O)cc1 2323823395 CKXUQUFMQSRBHM-UHFFFAOYSA-N 444.439 5.040 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 2324154504 XZWGFQGNVHUNKU-UHFFFAOYSA-N 425.355 7.592 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccc(F)cc2)C3=O)c1 2324455805 AHYSMWSXMXTREP-SFHVURJKSA-N 445.490 5.773 30 10 IKEE COc1ccc(C=C2Oc3cc(OCCCCOc4ccccc4C)cc(C)c3C2=O)cc1 2324598623 VOQTYWQGNMCFKF-UHFFFAOYSA-N 444.527 6.166 30 10 IKEE N#C[C@H](C(=O)C=Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc3c(c2)OCO3)cs1 2324623451 YOBCMJDIBOJLAM-CQSZACIVSA-N 443.311 5.735 30 10 IKEE CCN(CC)C(=O)COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1Cl 2324653704 DRSHPWJGGWILMD-UHFFFAOYSA-N 440.754 5.790 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1cc(C)c2c(c1)OC(=Cc1ccc(C)cc1)C2=O 2325092811 RVRMLJHOPJARAJ-JOCHJYFZSA-N 436.548 6.201 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)NCc4ccccc4Cl)ccc3C2=O)cc1 2325633123 NDFSNUYGHMBENB-UHFFFAOYSA-N 447.918 5.214 30 10 IKEE COc1ccccc1CCC(=O)Oc1cccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)c1 2325690169 NDQMCFMCRYZYNI-UHFFFAOYSA-N 431.444 5.038 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OCC(=O)Nc4cccc(Cl)c4)c3C)C2=O)c1 2325717321 PPFXKRCHNQUNQT-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE O=C(C=Cc1cccc(OC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)c1)c1ccc(Cl)cc1 2325730916 QXAXFCNPSLAFLQ-YADHBBJMSA-N 437.322 6.599 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1OC(=O)C(F)(F)F 2325766032 SIPZDOFWGLSXBC-UHFFFAOYSA-N 449.208 5.374 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)COc3ccc(C)c(C)c3)c2)cc1C 2325770947 SBZZYSCYYKHZCR-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1cccc(C(F)(F)F)c1 2326251933 FIJFOTUUGXZHSS-UHFFFAOYSA-N 436.478 5.953 30 10 IKEE CCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1ccccc1C(=O)O 2326331568 NPVFRIUBFFICPB-UHFFFAOYSA-N 436.581 5.401 30 10 IKEE CCOc1ccc2ccccc2c1C=Nn1c(C)nnc1SCc1ccc(Cl)cc1 2326350351 JMBQMCNIJXKERE-UHFFFAOYSA-N 436.968 5.966 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1ccc(OC(C)=O)cc1 2326417749 NFWFXTZJIGHBGU-UHFFFAOYSA-N 436.581 5.337 30 10 IKEE CCCCOc1ccc(C=Nn2c(CCCC)nnc2SCc2ccc(C#N)cc2)cc1 2326681456 SSSQCGJTBKOEFJ-UHFFFAOYSA-N 447.608 5.846 30 10 IKEE Cc1ccsc1C=Nn1c(CCCOc2ccccc2)nnc1SCc1ccccc1 2328744533 DGEMYSRFNBURHH-UHFFFAOYSA-N 448.617 5.834 30 10 IKEE Cc1ccc(CSc2nnc(COc3cccc(C)c3C)n2N=Cc2ccc[nH]2)cc1 2328818385 DBNRJZNGQCQVDR-UHFFFAOYSA-N 431.565 5.285 30 10 IKEE CCCSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1ccc(OC)cc1OC 2328964724 HKZXBDUUDOBTTA-UHFFFAOYSA-N 438.597 5.082 30 10 IKEE Clc1ccc(CSc2nnc(Cc3ccc(Cl)cc3)n2N=Cc2ccco2)cc1 2329129151 PHABNPHAJOWMAC-UHFFFAOYSA-N 443.359 5.943 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1ccc(OCCCC)cc1 2329421927 HKRMZPNNAVGUFN-UHFFFAOYSA-N 448.636 6.215 30 10 IKEE C=CCSc1nnc(Cc2ccccc2F)n1N=Cc1cc(Br)ccc1F 2329758495 IKDVJWRJRMWFRN-UHFFFAOYSA-N 449.324 5.070 30 10 IKEE C=C(C)CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1cc(Cl)c(O)c(OC)c1 2330101827 WTPLMKIHIZWHIZ-OAHLLOKOSA-N 442.972 5.348 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2Cl)n1N=Cc1cccnc1 2330109737 VSBHJRGIMIUHNC-KRWDZBQOSA-N 433.968 5.653 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2)n1N=Cc1ccc(C(F)(F)F)cc1 2330193721 HVXAWQUCDRNMQF-UHFFFAOYSA-N 430.499 5.633 30 10 IKEE C[C@@H](C(=O)Oc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1Cl)c1ccccc1 2330663263 PFJOVEQEOIBORG-LJQANCHMSA-N 440.926 7.098 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccc2c(c1)CCCC2 2330679671 ROPMBGAJYFVNPV-UHFFFAOYSA-N 427.456 5.589 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2cccc(OC)c2)cc1Cl 2330782993 NPRRZAMOEVQOLB-UHFFFAOYSA-N 428.956 6.901 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3cc(C)cc(C)c3)c(OC)c2)cc1 2330959163 PSZPZLGNSVKTRC-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE COC(=O)c1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2C2CCCC2)cc1 2331017956 YTKDBEICMLREHQ-UHFFFAOYSA-N 434.565 5.205 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(C=CC(=O)c2ccccc2OC)cc1Cl 2331059276 BOELAPYYOWEUIK-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2-c2ccco2)cc1 2331183584 ITAISTMZEKOSRP-UHFFFAOYSA-N 446.576 6.200 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3ccc(Cl)cc3)cc2)c(C)c1 2331215971 GZKFXQIUZWZWMO-UHFFFAOYSA-N 448.946 6.618 30 10 IKEE COc1ccccc1C(=O)Oc1c(OC)cc(C=CC(=O)c2ccc(C)cc2C)cc1OC 2331218575 LGQPPAWLTSGISE-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c(Cl)c2)c(C)c1 2331222539 SBICONADDINSPJ-UHFFFAOYSA-N 449.890 6.289 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)CC34CC5CC(CC(C5)C3)C4)c(Cl)c2)cc1 2331265822 FGTYPQOHIPRBCU-UHFFFAOYSA-N 448.990 7.056 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1Cl 2331319959 GKOJZQLHRVAWSW-UHFFFAOYSA-N 426.984 7.509 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2[N+](=O)[O-])cc1 2331322554 LNTVGHXWGAIVJK-UHFFFAOYSA-N 429.472 5.564 30 10 IKEE C=CCSc1nnc(CCCC)n1N=Cc1ccc(N(CC)Cc2ccccc2)cc1 2331343008 MXGLOONDNFBPNQ-UHFFFAOYSA-N 433.625 5.808 30 10 IKEE CCSc1nnc(CC(C)C)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2331445752 JAJBAJHMVGTEAQ-UHFFFAOYSA-N 428.989 5.703 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1)c1c(F)cccc1Cl 2331470190 QVQKOEWZPHOWJN-UHFFFAOYSA-N 430.862 6.748 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)Cc1ccccc1 2331503907 ULKSBSOHZBPVLG-UHFFFAOYSA-N 428.528 6.253 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)C3CCCC3)c(OC)c2)c(C)c1C 2331611948 FOVJTLKWVDAZDR-UHFFFAOYSA-N 442.939 5.966 30 10 IKEE CCCCC(=O)Oc1c(OC)cc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1OC 2331613005 HPILQMUZMINSNQ-UHFFFAOYSA-N 426.509 5.321 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3ccco3)c(OC)c2)cc1Cl 2331819036 COZYDTUTVGDULV-UHFFFAOYSA-N 442.851 5.074 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)cc(OC)c1OC(=O)CC(C)C 2331859843 SNFMRHQBHDSHGJ-UHFFFAOYSA-N 437.319 5.858 30 10 IKEE CN[C@H](C#CC1(SC)CCC1)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2336243150 INVQLBRVTRQQFV-QGZVFWFLSA-N 439.419 5.346 30 10 IKEE N#Cc1cc(Br)ccc1COc1cc(Br)cc(Br)c1 2338764042 XBAXTVLGIWWFSF-UHFFFAOYSA-N 445.936 5.425 30 10 IKEE CO[C@]1(C)C[C@@H]2C[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2356217905 BCYKYHBRSFRDEJ-YJPXFSGGSA-N 435.362 5.288 30 10 IKEE COC1(C#C[C@H](N)c2ccc(Br)cc2NC(=O)OC(C)(C)C)CCCCC1 2363725048 JWFIWVQTDJFBCZ-KRWDZBQOSA-N 437.378 5.149 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H](Nc2cc(Br)cc(C#N)c2)[C@@H]1C(F)(F)F 2370171539 CPQRXLDURZZFHF-LSDHHAIUSA-N 448.283 5.063 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccnc2)cc1 9861075 CFHUCWZHPCKDJB-JOCHJYFZSA-N 432.907 5.641 30 10 IKEE CCOc1ccc(C(=O)/C(=C\c2c[nH]c3ccccc23)c2nc3ccccc3[nH]2)cc1OC 12619744 FDOJQKQQIGJHAO-XSFVSMFZSA-N 437.499 5.875 30 10 IKEE Cc1ccc2sc(-c3ccc(/N=C/c4ccc(-c5cccc(C(=O)O)c5)o4)cc3)nc2c1 20072795 QUMWPALXBUTWAE-JFLMPSFJSA-N 438.508 6.981 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(O)c2)cc1 21229203 QGVODNOAAAPHNC-NGOKVRLYSA-N 440.543 6.161 30 10 IKEE COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(C(C)C)cc1 21252236 AAHZSZKCYHXWCV-KCWXNJEJSA-N 438.571 6.798 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(C(C)C)cc1 33762040 KKZWXOAHQIMZTA-HSZRJFAPSA-N 433.504 5.171 30 10 IKEE CCOC(=O)C1=C(Nc2ccc(Cl)cc2Cl)S/C(=C/c2ccc(O)cc2)C1=O 35404592 KFYQNHNBVNUTEK-CXUHLZMHSA-N 436.316 5.243 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)C)cc2)s1 39760499 CDAAGUSQHHIEMS-OAQYLSRUSA-N 447.560 5.057 30 10 IKEE C=CCc1ccccc1OCCCCn1c(COc2ccc(Cl)cc2)nc2ccccc21 40232492 BECJXAWXKLWWAA-UHFFFAOYSA-N 446.978 6.856 30 10 IKEE C[C@@H](c1ccccc1)N1COc2ccc3c(c2C1)O/C(=C\c1ccc([N+](=O)[O-])cc1)C3=O 41659416 NNAPGSBKMAYVAQ-YOBACFSGSA-N 428.444 5.124 30 10 IKEE CC(/C=C1\S/C(=N/N=C\c2ccccc2C)N(Cc2ccco2)C1=O)=C\c1ccccc1 47138653 PYRWDHQGFOLKPZ-FKYSNVPSSA-N 441.556 6.041 30 10 IKEE CC(=O)C1=C(C)Nc2nc(SCc3ccccc3)nn2[C@@H]1c1ccc(OC(C)C)cc1 54642220 RKNBIWNANTWKSW-JOCHJYFZSA-N 434.565 5.236 30 10 IKEE C=CCOc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccccc2)cc1OCC 64795336 WIBNHOXAPBOXKT-KRWDZBQOSA-N 449.528 5.551 30 10 IKEE C=C(C)COc1ccccc1NCC(=O)Nc1ccc(C(=O)N(CC)c2ccccc2)cc1 66062906 DSOTUYKKQDONIS-UHFFFAOYSA-N 443.547 5.359 30 10 IKEE O=C1/C(=C/c2cccs2)S/C(=N/N=C\c2cc(Cl)ccc2O)N1Cc1ccco1 101917965 LRTIVFMWJQSZIR-OWPNISLFSA-N 443.937 5.207 30 10 IKEE CCCCCCCCCn1c([C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)nc2ccccc21 102105827 MUGOELCCWDVQCI-HXUWFJFHSA-N 447.579 6.036 30 10 IKEE O=C(/C=C\Nc1ccc(Oc2cccc(N/C=C\C(=O)C(F)(F)F)c2)cc1)C(F)(F)F 102429140 BVCVSVJXLFKRJQ-WGEIWTTOSA-N 444.331 5.593 30 10 IKEE C=CCC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)[C@H](C)CC 105007527 VGRZRQZVQQUTOX-GGAORHGYSA-N 433.596 5.807 30 10 IKEE CCOc1ccc2oc(C(=O)N3/C(=N\[C@@H]4CCCC[C@@H]4C)SCC3(C)C)c(C)c2c1 105359641 PQJDUCOVWJQBMP-UWNVAPPFSA-N 428.598 6.042 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc(C)c2)c1 169966144 QGJXGZSVOLCORZ-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc3c(c2)OCO3)=C(c2ccc(F)cc2)C1=O 169986211 LWWMLZKNAYJDLC-UHFFFAOYSA-N 438.499 5.107 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2ccncc2)c(C)c1 170018659 UXHFQBBGGJYACS-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@@H]1c1ccncc1 170019109 KBLKRSDUPWPWIE-QHCPKHFHSA-N 432.907 5.145 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2cccc(C)c2)cc1 170028576 GIVHIOLWQXYKSF-NRFANRHFSA-N 448.544 5.250 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C)cc2)c1 170036907 GBYSJGWCFOJUKB-HSZRJFAPSA-N 447.918 5.830 30 10 IKEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccccc2)cc1 170047746 OMCCBHYBPJGXHT-XMMPIXPASA-N 437.499 5.017 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccccc2F)cc1 170071357 KYYOYUPLWZEJJD-QHCPKHFHSA-N 438.414 5.226 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@@H]1c1ccccc1OC 170125217 LVAKSEHYPWDHIG-QHCPKHFHSA-N 437.536 5.124 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2cccc(OC(C)C)c2)cc1 170153547 ARULRIPBWJQLKV-QHCPKHFHSA-N 437.536 5.251 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccc(OCC(C)C)cc1 170167472 HYPOWQCBTXKARG-BXKMTCNYSA-N 449.547 5.033 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccncc2)cc1 170200438 GYFIXESYSIODTH-XMMPIXPASA-N 442.515 5.270 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccccc2)cc1C 170227002 ZNPMKWWJCSNHPO-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2c[nH]c3ccccc23)cc1C 170255807 OUURBSZTZLYNIP-HSZRJFAPSA-N 432.520 5.253 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)CCCO3)=C(O)C(=O)N1c1ccc(F)cc1 170271276 IFAGHWOGYDCGQR-DEOSSOPVSA-N 443.474 5.242 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1c1ccccc1C 170273080 CWSRKRMPRRXPPG-SANMLTNESA-N 437.539 5.965 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)cc2OC)[C@H]1c1ccccc1C 170276663 BBYYJUAXDVMPGT-OAQYLSRUSA-N 443.927 5.044 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2ccco2)ccc1F 170283994 PWZRADSDCRLYMV-HXUWFJFHSA-N 425.843 5.472 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2ccco2)cc1 170284341 KAGHVSXVAQXZRR-NRFANRHFSA-N 437.879 5.423 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC(C)C)cc3)[C@@H]2c2ccco2)c1C 170285999 LWJABIQXIYXSAB-DEOSSOPVSA-N 445.515 5.714 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccco2)c1 170286014 TZVUMOPYKLVJPK-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccco2)cc1C 170286717 QZVFLAKAIPFPJO-OAQYLSRUSA-N 437.879 5.423 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1sccc1C 170315486 MAJIZBDLSAQYLC-IBGZPJMESA-N 434.473 5.056 30 10 IKEE CCN(CC)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(O)cc2)cc1 170339033 FIBMBAZRLBUGMD-QFIPXVFZSA-N 448.544 5.083 30 10 IKEE CCOc1ccccc1C=Nc1ccc(-c2ccc(N=Cc3ccccc3OCC)cc2)cc1 254850747 CSDMZJYOJGBKIW-UHFFFAOYSA-N 448.566 7.652 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@H]2Nc1ccc(Br)cc1C#N 312150788 OYZRENDEJDNKJT-LJQANCHMSA-N 428.330 5.767 30 10 IKEE Cc1cccc([C@H]2C(c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2c2ccccc2C#N)c1 526605468 QDUBZOMGVQMYIQ-SANMLTNESA-N 438.527 5.959 30 10 IKEE CCCCOc1cccc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2ccccc2C#N)c1 526606217 JDBUASMDAGLBQJ-HSZRJFAPSA-N 430.529 5.856 30 10 IKEE CC(C)c1ccc([C@H]2C(c3cccc4ccccc34)=C(O)C(=O)N2c2ccccc2C#N)cc1 526610755 PUOBJNGNXCBOGH-NDEPHWFRSA-N 444.534 6.892 30 10 IKEE CCc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccc(C)cc2C)cc1 526812014 FTLSXOFSXGNSEM-VEILYXNESA-N 440.616 6.223 30 10 IKEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1cccc(Cl)c1Cl 526814033 IZLJRCQVUAWMAJ-UYOCIXKTSA-N 446.190 6.375 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1ccccc1Cl 526815014 YFYVHZJJOGMBMA-KSEXSDGBSA-N 439.799 6.365 30 10 IKEE CCOc1cc(/C=N\n2c(CC)nnc2SCc2cc(C)ccc2C)cc(Cl)c1O 526819226 PDQSJXZYRBJGOA-MSXFZWOLSA-N 444.988 5.390 30 10 IKEE CCc1nnc(SCc2ccc(Br)cc2)n1/N=C\c1ccc(C(C)C)cc1 526820810 JUCOJSDLJIMQAL-QRVIBDJDSA-N 443.414 5.901 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1ccc(C)cc1 526824521 GWOFAUHHVIQMDJ-CFRMEGHHSA-N 433.408 6.410 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CC[C@H](C)N(C(=O)OC(C)(C)C)C1 698375826 VFOBUQLFWUQNFF-XDHUDOTRSA-N 445.560 5.118 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCc2cc(Cl)ccc21 698497119 KWVNIIFTGMLTDN-OAQYLSRUSA-N 447.760 6.209 30 10 IKEE C=C(C)CC[C@@H](NCCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 708565680 IOKKUFDUXYIVER-WOJBJXKFSA-N 439.438 5.609 30 10 IKEE C=CCC1([C@@H](Cc2ccsc2Br)NCCC)CN(C(=O)OC(C)(C)C)C1 722920542 NOJFGNCOXRMCDO-MRXNPFEDSA-N 443.451 5.235 30 10 IKEE CCOc1cccc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2ccccc2CC)c1 762437847 DWGCFKXNEMCYMX-UHFFFAOYSA-O 430.553 5.130 30 10 IKEE N#Cc1c(N=C2C(=O)c3ccccc3N2Cc2ccccc2Cl)sc2c1CCCC2 1084454833 NHGZQCHJHBXWGU-UHFFFAOYSA-N 431.948 6.085 30 10 IKEE Cc1cc2c(c(/C=N\c3ccc(Cl)cc3)c1)O[C@]1(C=C2)Oc2ccccc2C(=O)N1C 1084616864 WVPSOJOJSDUJAW-ALUKBCMLSA-N 430.891 5.623 30 10 IKEE O=C1/C(=C\c2ccccc2)SC(=Nc2nc(-c3ccccc3)cs2)N1c1ccccc1 1772733526 BYRFUNKNXLMOIT-OORCVBGGSA-N 439.565 6.619 30 10 IKEE COc1ccc(/C=C2/SC(=Nc3ccncc3Cl)N(C3CCCCC3)C2=O)cc1 1772737550 PEAUWXIYDOSCFI-RLPJPJOASA-N 427.957 5.680 30 10 IKEE CCc1nc2sc(C)c(-c3cc(C)ccc3OC)c2c(=O)n1Cc1cccc(C#N)c1 1857802997 VRJQARHTNFMUBH-UHFFFAOYSA-N 429.545 5.233 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccc2OCCOc2ccc(C)cc2)c1 1858743597 NQKRGWNTHHROOG-UHFFFAOYSA-N 445.563 5.938 30 10 IKEE CCOC(=O)c1sc(NC(=O)c2cccc(-c3nc4cc(F)ccc4o3)c2)c(C#N)c1C 1859735967 FUYQVDAERNRVSL-UHFFFAOYSA-N 449.463 5.305 30 10 IKEE CC(C)CSc1ccc(C(=O)Nc2c(C#N)cnn2-c2ccc3ccccc3n2)cc1 1859742220 WSRLBOCMZIWNEU-UHFFFAOYSA-N 427.533 5.293 30 10 IKEE CCCCCCCOc1cccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)c1 1860114198 FCJSSHNHJUIEGR-UHFFFAOYSA-N 438.395 7.140 30 10 IKEE CCOc1ccc(/C=N/NC(=S)NC2CCCCCCCCCCC2)cc1OCC 1860499458 MCZWRPMEMBUNOA-NCELDCMTSA-N 433.662 5.955 30 10 IKEE N#Cc1cccc(C(=O)N2CCC(c3ccc(OC(=O)c4ccccc4Cl)cc3)CC2)c1 1860705728 FJKGPFHBDQAKQR-UHFFFAOYSA-N 444.918 5.451 30 10 IKEE Cc1ccc2nc(-c3ccc(NC(=O)C(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3)sc2c1 1860727128 FLFQMTFYWMQKSZ-WUXMJOGZSA-N 443.484 5.401 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1sccc1C 1861742380 FVFINXUWYAZBRV-QFIPXVFZSA-N 428.642 5.655 30 10 IKEE N#Cc1ccccc1NC(=O)c1cc(CCc2ccccc2)n(Cc2ccccc2Cl)n1 1862327675 GAMIBZVCTJDKKS-UHFFFAOYSA-N 440.934 5.494 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2cccc3ccccc23)n(Cc2ccccc2Cl)n1 1862371191 LKCWFFXEGICUJI-UHFFFAOYSA-N 441.962 6.219 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc(OC)c2)cc1 1862390441 CZBJAYKFMGGFOL-VWLOTQADSA-N 447.575 5.949 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccccc2Cl)c1 1862474829 WFWZDLUIWLYXKW-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)c1 1862479278 CJRVZTGFQJUMBB-HFRGRHLUSA-N 447.575 5.941 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 1862482020 LLNIEXHGQJXZRQ-FQEVSTJZSA-N 431.454 5.638 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 1862492356 PQRKRXMPLSNNPM-NRFANRHFSA-N 448.500 5.052 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CC(C)C)cc1 1862499071 XMRLEEHEYWFSKH-XMMPIXPASA-N 434.580 5.384 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(OCc2ccccc2)cc1 1862499421 HHHAUHBCOVSGGO-VWLOTQADSA-N 441.527 5.481 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2cccc(Cl)c2)ccc1F 1862502494 BIBNIFPVNOAMSV-JOCHJYFZSA-N 441.930 6.089 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862516528 QNWIPRRGLRFHHM-MHECFPHRSA-N 435.564 5.976 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cccc([N+](=O)[O-])c1 1862547132 NJVQUMYFOCHDIY-HSZRJFAPSA-N 448.519 5.098 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccccc2Cl)c1 1862555274 TVTOMRXBVARMSG-JOCHJYFZSA-N 432.907 5.009 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(C)cc1 1862580376 IHKULHNVNQGDPY-FQEVSTJZSA-N 448.346 5.307 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C2CC2)cc1 1862584976 LWARQQIIYLZCPN-FQEVSTJZSA-N 444.358 6.032 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CC)cc1 1862586621 YCTAIRCBPMSNRK-LJQANCHMSA-N 434.319 5.380 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(C(C)(C)C)cc2)=C(O)C(=O)N1Cc1cccnc1 1862614020 VWPIDNQRWFJGLP-DEOSSOPVSA-N 440.543 5.466 30 10 IKEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 1862620373 QRCPQANOJINGIU-UZUQRXQVSA-N 449.591 5.241 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C(C)C)cc3)[C@H]2c2cccc(O)c2)cc1 1862663751 WGAHKKUKVOHVPR-RUZDIDTESA-N 441.527 5.603 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2C2CCCCCC2)c1 1862694528 LZOWXLXOQBSDKR-DEOSSOPVSA-N 449.547 5.395 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2C2CC2)cc1 1862726948 SNAJXVBRKWQCQB-RUZDIDTESA-N 439.511 5.493 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(Nc2ccccc2C#N)=C(c2ccccc2Cl)C1=O 1863074532 SGQKMXKEQIBODZ-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2OCCC)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863281950 DGYJSXGEVBIRIJ-UHFFFAOYSA-N 431.319 5.160 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2Cl)C(=O)N(Cc2ccc(C)cc2)C1=O 1863772741 YVJFOFJRNBYVPG-UHFFFAOYSA-N 438.999 5.879 30 10 IKEE C[C@H]1CN(c2cc(Nc3ccc(C#N)cc3)nc(C(C)(C)C)n2)C[C@H](c2ccc(F)cc2)O1 1868355215 BIQFSQHGSLFBIQ-HTAPYJJXSA-N 445.542 5.495 30 10 IKEE CCCc1nc(Nc2ccc(C#N)cc2)cc(N2C[C@H](C)O[C@H](c3ccc(F)cc3)C2)n1 1868401419 YZNUEPBMWAUZFT-JTSKRJEESA-N 431.515 5.150 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(C)cc2)c(CN(CCO)CCCC)cc1=O 1870416556 DBWBZZGKMLBQOM-UHFFFAOYSA-N 442.644 5.149 30 10 IKEE CCCCCCCCn1cc(OCCC)c(=O)cc1CN(CC)CCc1ccncc1 1870658919 YDJJXWWOILLOOO-UHFFFAOYSA-N 427.633 5.457 30 10 IKEE C=CCOc1cn(Cc2ccc(C)cc2)c(CNc2ccc(OCCCC)cc2)cc1=O 1870813889 IXHKUFFQZBONCQ-UHFFFAOYSA-N 432.564 5.561 30 10 IKEE C#CCOc1cn(Cc2ccccc2C)c(CNc2ccc(OCCCC)cc2)cc1=O 1871007297 UYIOHFATULQYHQ-UHFFFAOYSA-N 430.548 5.008 30 10 IKEE Cc1ccc(-c2nc(C#N)c(S(=O)(=O)NC3CCCCCCCCCCC3)o2)cc1 1871288256 DZMQHROCHMOJQA-UHFFFAOYSA-N 429.586 5.473 30 10 IKEE COc1ccc2c(c1)c(/C=C1\Oc3c(ccc4c3CN(C3CCCCC3)CO4)C1=O)cn2C 1871346226 PZGLOFZYEVCWDG-ROTLSHHCSA-N 444.531 5.288 30 10 IKEE C=CCOc1ccc(C(=O)Nc2ccc3c(=O)cc(-c4ccccc4OCC)oc3c2)cc1 1871359303 ZUPNWWKVMVBBJY-UHFFFAOYSA-N 441.483 5.676 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OC(=O)c4cc(Cl)ccc4Cl)ccc3C2=O)c1 1871381205 NKLMAIJQUZFMEJ-FBHDLOMBSA-N 425.267 6.137 30 10 IKEE CC(C)C(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871390619 FVZQWHNCLQKYIE-QRVIBDJDSA-N 446.430 5.223 30 10 IKEE Cc1c(OC(=O)CCc2cccs2)ccc2c1O/C(=C\c1c(F)cccc1Cl)C2=O 1871392224 QFFTVNAIVOXMJO-NDENLUEZSA-N 442.895 6.003 30 10 IKEE Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccco2)C3=O)c(C)c1 1871402923 PQGLERNNWUYRLV-FPJJECCMSA-N 431.488 5.535 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2sccc2C)C3=O)cc1 1871410898 CHWLYBMZPYJKHN-RDPIHGLISA-N 449.528 5.396 30 10 IKEE CCCCCCCCCOc1ccc2c(c1C)O/C(=C\c1ccc(Cl)cc1Cl)C2=O 1871429865 QTOPPHHYAWLNLB-HAHDFKILSA-N 447.402 8.047 30 10 IKEE CCCOC(=O)[C@H](CC)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O 1871434928 WFNOMLANJPEEBU-VNAJSCGASA-N 449.330 6.029 30 10 IKEE CCc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871454775 XHPANURDQAJQKV-MCBOVYRESA-N 439.511 5.747 30 10 IKEE N#C[C@H](C(=O)COc1cc(Cl)ccc1Cl)c1nc(-c2ccc(Cl)cc2)cs1 1872766636 MPXKZTAYLUCTTB-CQSZACIVSA-N 437.735 6.026 30 10 IKEE CC(C)c1ccccc1O[C@@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(F)c(F)c2)cs1 1872779390 IRRCHRRQSWJBHU-YOEHRIQHSA-N 426.488 5.855 30 10 IKEE COc1cccc(OC)c1C(=O)[C@@H](C#N)c1nc(-c2cc(Cl)cc(C)c2OC)cs1 1872786681 PPTCXDBWWXDIBU-OAHLLOKOSA-N 442.924 5.288 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc2cc[nH]c2c1 1873503240 DTIBWDQICSGXCW-BRJLIKDPSA-N 444.391 6.193 30 10 IKEE C=CCN(CC=C)C(=O)c1ccc2[nH]c(-c3ccc(OCc4ccc(F)cc4)cc3)nc2c1 1873503774 AEUCHQGBSOHRDX-UHFFFAOYSA-N 441.506 5.762 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccc(C(C)C)c(C)c3)c(=O)oc2c1C 1873913881 NPISEHHBIGRIHK-UHFFFAOYSA-N 433.548 5.978 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1/N=C/c1ccc[nH]1 1874194555 VUDWIQZHXBSAHP-DHRITJCHSA-N 439.585 5.042 30 10 IKEE C=CCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874270045 BRALGINRPDUYAX-LFVJCYFKSA-N 429.505 5.091 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(CCc3ccccc3Cl)nnc2SC)cc1 1874275720 DTAOCWINUQYFPY-LFVJCYFKSA-N 428.005 5.167 30 10 IKEE Cc1ccsc1/C=N/n1c(SCc2ccc(F)cc2)nnc1-c1ccccc1Cl 1874364799 VMILNRGBLYNNHF-WYMPLXKRSA-N 442.972 6.282 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2ccc(F)cc2)nnc1-c1ccccc1Cl 1874364859 YROBXSXFTRQUHT-VULFUBBASA-N 436.943 6.221 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@H](C)c3ccccc3)n2/N=C/c2cccc(F)c2)c1 1874395092 CYWDDHPVSFALMT-HXLYRSSUSA-N 444.579 6.360 30 10 IKEE Cc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2cccc(C)c2)cc1 1874402405 YAJZEBNIRMAJSJ-OVVQPSECSA-N 426.589 5.855 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2-c2cccs2)c(O)c1 1874424215 AECACFONQBFCEZ-SSDVNMTOSA-N 442.953 5.246 30 10 IKEE Oc1ccc(Cl)cc1/C=N/n1c(SCc2cccc(F)c2)nnc1C1CCCC1 1874454848 XUNIRUNDWCGCJI-WYMPLXKRSA-N 430.936 5.608 30 10 IKEE Fc1ccccc1CSc1nnc(C2CCCC2)n1/N=C/c1cccc2ccccc12 1874455658 DBEZCLZUAZJJLX-JVWAILMASA-N 430.552 6.403 30 10 IKEE CCCSc1nnc(CC(C)C)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874490626 BHIKOLZFWMDPHS-MFKUBSTISA-N 443.016 6.093 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CCC2)cc1O 1874497648 UFWLKQWNJXGVMR-FSJBWODESA-N 428.945 5.088 30 10 IKEE CCCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(N(CC)CC)cc1 1874503428 HDGACTFDQJFMNQ-PCLIKHOPSA-N 425.577 5.390 30 10 IKEE CCCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1/N=C/c1ccc(C(C)C)cc1 1874511262 QXBMKOGNIKXIOV-DZTFFZQKSA-N 449.624 5.206 30 10 IKEE CC(C)c1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(C(=O)O)cc1 1874514554 DGIONECLBLVULN-AUEPDCJTSA-N 432.908 5.067 30 10 IKEE CCCCCCOc1ccc(/C=N/n2cnnc2SCc2ccccc2F)cc1OC 1874538681 RHIKWWDAXOPETO-CVKSISIWSA-N 442.560 5.559 30 10 IKEE O=C(/C=C/c1c(OCc2cccc(F)c2)ccc2ccccc12)c1ccc2c(c1)CCCC2 1874572173 ZHZIYYCJPQHTCF-FOCLMDBBSA-N 436.526 7.333 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1OCc1ccccc1 1874591483 NJAXYELOFNAFHL-JXMROGBWSA-N 447.745 7.131 30 10 IKEE CCOC(=O)c1ccc(COc2cccc(/C=C/C(=O)c3ccc4ccccc4c3)c2)o1 1874593006 NEHWSKUJEQZICN-GXDHUFHOSA-N 426.468 6.085 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc1OCc1cccc(F)c1 1874598076 SHDUOYWFGLDVHO-FMIVXFBMSA-N 448.534 6.616 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)cc2)cc1 1874614036 ZZHHDQDWOWQCDE-VGOFMYFVSA-N 429.516 5.616 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1 1874623992 GPYGFSMGXFCMEN-WLRTZDKTSA-N 435.907 6.847 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OCc1cc(C)ccc1C 1874625467 GUXXQIOGHZFNRM-NTEUORMPSA-N 430.519 6.655 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OCC(=O)Nc1cccc(C)c1 1874625681 QWWJDYJIRQWUFF-NTUHNPAUSA-N 433.479 5.446 30 10 IKEE CCCC(=O)Oc1cc(/C=C/C(=O)c2ccc(CC)cc2)c(Br)cc1OC 1874694816 VLBIBSOOWOFLMY-VAWYXSNFSA-N 431.326 5.622 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3c(F)cccc3Cl)c2)cc1 1874696472 CXAYJNOYPSUNIA-WUXMJOGZSA-N 440.854 5.612 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3cc(Cl)ccc3Cl)c2)cc1 1874697740 NIIHWQWMGMMFKQ-LFYBBSHMSA-N 441.310 6.046 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OC(=O)COc3c(C)cccc3C)c2)c1 1874706488 KTDQRIMHVPLGBF-ACCUITESSA-N 446.499 5.201 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCCSC)c2)c(OCC)c1 1874714599 FFSKFEWZBHVZGX-SDNWHVSQSA-N 428.550 5.429 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1OC(=O)CCCSC 1874718973 UKOKKQGFQGPZNQ-WEVVVXLNSA-N 439.360 5.947 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2cccs2)CSc2nnc(-c3ccco3)n21 1874915513 NMGVGRKBBJANMF-INIZCTEOSA-N 430.599 5.662 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(F)cc2)CSc2nnc([C@@H]3CCCO3)n21 1874947088 VLIXDBZCRIYCKE-UXHICEINSA-N 446.592 5.331 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1cccc(F)c1 1875094108 AVUNTBSAVCNAPT-PKNBQFBNSA-N 435.407 5.248 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(Cl)c1OC(=O)c1ccncc1 1875094681 DJBCADTYTPWPKJ-RMKNXTFCSA-N 443.886 6.012 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)ccc1OC(=O)CCCSC 1875099674 SNXVDCKUZAYIKD-DHZHZOJOSA-N 444.549 5.047 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)ccc1OC(=O)c1ccc(OC)cc1 1875101714 YEMZKTCWLGRSSI-RIYZIHGNSA-N 432.472 5.218 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2OC)cc(OC)c1OC(=O)c1ccc(C)cc1 1875119671 GUJVQOARCKHGQT-DTQAZKPQSA-N 442.511 5.856 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)c1cc2ccccc2n1C 1875120343 PIWBTJMIYXMANZ-WYMLVPIESA-N 441.483 5.311 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)c1ccccc1C 1875121065 XWRLDSVMMNNVJX-DHZHZOJOSA-N 438.426 5.406 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)CC1CCCCC1 1875122997 RLPHECMHRACYGB-MDWZMJQESA-N 442.939 6.129 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)c(Cl)c2)cc1 1875133428 UQNWLJREVSEXOO-XBXARRHUSA-N 434.963 6.666 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1 1875137331 HTZYBGZYDSZNQS-VIZOYTHASA-N 445.471 5.807 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)c3c(F)cccc3Cl)c(Cl)c2)ccc1F 1875141603 MDPYHBHKMXKQAI-WEVVVXLNSA-N 447.264 6.695 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC(=O)c1ccccc1 1875148430 DGQOQQLUFSRGJT-LFIBNONCSA-N 444.527 6.117 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C2CCCC2)c(Br)c1)c1ccc2c(c1)OCO2 1875151099 UVJPSDKRHAWMJD-VMPITWQZSA-N 443.293 5.170 30 10 IKEE CCCCCCC(=O)Oc1c(OCC)cc(/C=C/C(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 1875160003 VLDJYNJYHUJEGB-NTEUORMPSA-N 443.471 5.905 30 10 IKEE O=C(COc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1Cl 1875161864 LBYSWWMEFBFTOQ-UXBLZVDNSA-N 428.818 5.499 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1C 1875176101 WQPBWEPNODUKNV-WUXMJOGZSA-N 425.311 6.726 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2ccc(OC(=O)C3CC3)c([N+](=O)[O-])c2)cc1Cl 1875187678 GHQRQKZPDYNYQP-QHHAFSJGSA-N 436.247 5.122 30 10 IKEE Cc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(Cl)ccc3Cl)cc2Cl)c1 1875189471 RSAZQFBKJAAQPT-WEVVVXLNSA-N 445.729 7.071 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1880357496 QAPMEYABPSYPCV-DFBJGRDBSA-N 443.588 5.353 30 10 IKEE C=CCCN(Cc1ccccc1)C(=O)c1cc(Br)c(Br)s1 1886639053 KNDIOLXVLTYHDG-UHFFFAOYSA-N 429.177 5.492 30 10 IKEE N#Cc1ccnc(O[C@H]2CCN(C(=O)c3[nH]c4ccc(Cl)cc4c3-c3ccccc3)C2)c1 1891718928 ISNFKNGIIFZOIS-IBGZPJMESA-N 442.906 5.048 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)C1(CNC(=O)OC(C)(C)C)CC(F)(F)C1 1922104447 RJOKPFSDAFCUJJ-HXUWFJFHSA-N 438.559 5.068 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)[C@@H]2CCC[C@H]21 1926543293 WAEYGUFCVFTQHH-IECBHUPTSA-N 433.593 5.238 30 10 IKEE COc1cccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)c1Br 1927306955 VWSBZYKKHYVZIT-MRXNPFEDSA-N 435.293 5.603 30 10 IKEE CC(C)(C)OC(=O)Nc1ccccc1[C@@H](C#N)N(C[C@H]1CCCO1)C(=O)OC(C)(C)C 1944208194 UUKPUCVVBVDVDM-VQIMIIECSA-N 431.533 5.014 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@H](C#N)[C@H]1CCCCN1C(=O)OC(C)(C)C 1944736973 SOMIGEMJQRJLIA-RTBURBONSA-N 449.979 5.763 30 10 IKEE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)C1=CC[C@H](C(C)(C)C)CC1 2010744445 RJJVUIHYRSPAHT-NYVOZVTQSA-N 429.601 5.827 30 10 IKEE CC(C)[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)CN1Cc1ccccc1 2029761516 GCRHWCJKRXGWIY-BVAGGSTKSA-N 437.559 5.760 30 10 IKEE C=CCN(CC[C@@H](N)Cc1cc(Cl)c(C)c(Br)c1)C(=O)OC(C)(C)C 2048650923 ZPQKIAZDBKTGDF-OAHLLOKOSA-N 431.802 5.094 30 10 IKEE C[C@H](c1cccs1)N(Cc1ccccc1)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2052553866 MTDFTGJVAYTSCT-QGZVFWFLSA-N 438.377 5.349 30 10 IKEE COc1ccc(Oc2ccc(C=CC(=O)c3ccccc3OC(F)F)cc2[N+](=O)[O-])cc1 2053614326 LZOJAUBIMREAQP-UHFFFAOYSA-N 441.386 5.893 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@H]2CC[C@H]21 2057587097 UWHUGQKXHUDOGH-AOUJKTHWSA-N 441.572 5.418 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2)C2(CCC2)C1 2075894902 IZCOGNVTRPZDER-WOJBJXKFSA-N 441.572 5.357 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)[C@H]1C(C)(C)C 2076161352 MGFVJUAFQDMTQI-KOSHJBKYSA-N 447.551 5.495 30 10 IKEE Cc1ccc([C@@H](n2nc(C(C)(C)C)c(C#N)c2I)C2(C)CC2)c(C)c1 2079072600 VVBBTJAPTOUZSB-GOSISDBHSA-N 447.364 5.663 30 10 IKEE CC[C@H](c1c(C)cc(C)cc1C)n1nc(C(F)F)c(C#N)c1I 2079856425 RVLJWSWGXPHOAI-CYBMUJFWSA-N 429.252 5.222 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCCC[C@@]12CCNC2 2156247141 IGRLECVJHVFESM-LEWJYISDSA-N 434.378 5.007 30 10 IKEE CCCN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(C#N)cc1Br 2174814338 HBJNTRPTGPEIBB-KRWDZBQOSA-N 436.394 5.184 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NC)c2sc(C)c(Br)c2C)C1 2219017530 NBPXGSZZPVDIIF-MRXNPFEDSA-N 429.424 5.249 30 10 IKEE C=CCCCCCCC[C@H](O)c1cc(Br)ccc1I 2227284550 RJNNGPSWJIKILT-INIZCTEOSA-N 437.159 6.004 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Cl)cc1C(=O)C#Cc1ccccc1Br 2232119281 UEGZEWMYNDGTTK-UHFFFAOYSA-N 434.717 5.684 30 10 IKEE Cc1c(Br)sc([C@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)c1C 2241381679 YMOAYLDCZVHUIJ-INIZCTEOSA-N 435.387 6.129 30 10 IKEE C=CCCC1([C@@H](O)c2ccc(Br)cc2Cl)CN(C(=O)OC(C)(C)C)C1 2254993085 BHMJXVWSAZKSKG-INIZCTEOSA-N 430.770 5.339 30 10 IKEE N#Cc1cc(F)c(Nc2cc(Cl)c(Br)cc2Cl)cc1Br 2295475946 AKMRBJICZLZGBZ-UHFFFAOYSA-N 438.909 6.273 30 10 IKEE CC(C)(C)[C@@H](CS)COc1cc(Br)cc(I)c1 2301131695 OZFPMDMCMCNPTC-SECBINFHSA-N 429.161 5.025 30 10 IKEE C=CCOc1ccccc1C=C1SC(=Nc2nnc(C)s2)N(C2CCCCC2)C1=O 2314548007 OEQCKFNHGXDLHL-UHFFFAOYSA-N 440.594 5.348 30 10 IKEE Cc1c(OCc2c(F)c(F)c(F)c(F)c2F)ccc2c1OC(=Cc1cccs1)C2=O 2321810839 UXMHSCJOPUDASB-UHFFFAOYSA-N 438.373 5.947 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(S)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2321962600 UVKSHMVIMIVNPA-KRWDZBQOSA-N 448.979 5.833 30 10 IKEE CCCCCOc1ccc(C=Nn2c(S)nnc2CCc2ccccc2C)cc1OC 2321993847 XMXPLZAQJMBPBC-UHFFFAOYSA-N 438.597 5.120 30 10 IKEE COc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccccc2F)C4)cc1 2322056762 GRFBBQBAIHXTGU-UHFFFAOYSA-N 431.463 5.111 30 10 IKEE CC(C)c1ccc(C=C2Oc3c(ccc4c3CN(C3CCCCCCC3)CO4)C2=O)cc1 2322177612 RYCHNEXTRPTDRI-UHFFFAOYSA-N 431.576 6.691 30 10 IKEE Cc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCCCc2ccccc2)C4)o1 2322252271 XUTWRNSGKOGVOU-UHFFFAOYSA-N 429.516 5.687 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(Cl)c(Cl)c1)C3=O)CN(C[C@@H]1CCCO1)CO2 2322307671 GOBJWNWMJTUJDD-INIZCTEOSA-N 446.330 5.249 30 10 IKEE CCOc1ccc(C=C2Oc3c(cc4c(c3C)OCN(CCc3cccs3)C4)C2=O)cc1 2322416633 JMFBMIBIQSGZNY-UHFFFAOYSA-N 447.556 5.466 30 10 IKEE Cc1cc(OC(=O)c2ccccc2Cl)cc2c1C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)O2 2322724925 WCIXOGULAJDZJJ-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE COc1ccccc1C=C1Oc2cc(OC(=O)c3cc4cccc(OC)c4o3)ccc2C1=O 2322856975 VPNXGQPNXBGAQA-UHFFFAOYSA-N 442.423 5.285 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OC)c1OCc1cccc(Cl)c1 2323026675 WHAYOGOSCGKYFH-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE Cc1ccc(CCC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)cc1 2323081519 MRNNGWIRNWDSJR-UHFFFAOYSA-N 443.455 5.366 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC)c(OC)c1Br 2323230134 NRKVSVYDUIDSQN-UHFFFAOYSA-N 433.342 5.669 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)NC3CCCCC3)c2)cc1Cl 2323310369 ZIQVWTCJILNJLB-UHFFFAOYSA-N 427.928 5.072 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OC(=O)c3cccc4ccccc34)cc(C)c2C1=O 2323481766 ORLLDXZRIINOFH-UHFFFAOYSA-N 426.493 6.354 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OC(=O)COc4ccc(Cl)cc4)c3C)C2=O)c1 2323536339 LSAKXTDXSLIWSG-UHFFFAOYSA-N 434.875 5.557 30 10 IKEE Cc1nc2ccc(C(=O)Oc3ccc4c(c3)OC(=Cc3cccc(F)c3)C4=O)cc2nc1C 2323555057 NWVIALFJKXOTFR-UHFFFAOYSA-N 440.430 5.221 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)cc2)cc(OC)c1OCc1ccccc1Cl 2323647958 JYMAVUQTWYWDFF-UHFFFAOYSA-N 448.946 6.561 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)Oc1ccc2c(c1)OC(=Cc1ccncc1)C2=O 2323666025 IRGLNCQCSSLBIL-UHFFFAOYSA-N 442.254 5.232 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OCC(=O)Nc1cccc(C)c1 2323743254 IQWAVDDTALCHQL-UHFFFAOYSA-N 437.442 5.195 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1)c1ccccc1 2323812578 DZTJGPSLOWPZGB-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)C=Cc1ccc(OCC)c(OC)c1 2323879555 BSLKJJGAXUNGQG-JOCHJYFZSA-N 446.632 5.259 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OCc1ccccc1Cl 2323919596 ORRRNGGVZZQFBO-UHFFFAOYSA-N 432.947 6.861 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Cl)c1OCC(=O)N(CC)CC 2323959214 XVLWBFLBUJIMGG-UHFFFAOYSA-N 443.971 5.499 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3C)c(Cl)c2)ccc1F 2323970539 PWXWAJKLJOQVPB-UHFFFAOYSA-N 437.898 6.010 30 10 IKEE COc1cccc(C=C2Oc3c(CN4CCCc5ccccc54)c(O)cc(C)c3C2=O)c1 2324023821 MIHHODOLCYCPCA-UHFFFAOYSA-N 427.500 5.278 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)c1 2324035014 JIRJCFIZZKWQCE-UHFFFAOYSA-N 449.459 5.096 30 10 IKEE CCCCOc1ccc2c(c1C)OC(=Cc1cc(Br)cc3c1OCOC3)C2=O 2324260499 MTHRXLOKWWBARK-UHFFFAOYSA-N 445.309 5.419 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2cccs2)C3=O)c(C)c1 2324494697 XCYLBXDBWNWUEK-KRWDZBQOSA-N 433.529 5.696 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCCc3ccccc3)c(OC)c2)c(OCC)c1 2324498846 URHNYBADAVBDKI-UHFFFAOYSA-N 446.543 6.010 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1Cl 2324609782 FTOLIXYCPCCNAW-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE Cc1ccc(NC(=O)CCOc2cc(C)c3c(c2)OC(=Cc2sccc2C)C3=O)cc1 2325234703 XHJAXXLHWIEOJD-UHFFFAOYSA-N 433.529 5.697 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1N=Cc1cccc([N+](=O)[O-])c1 2325528825 OLSVSOZHQZVZMV-UHFFFAOYSA-N 429.933 5.357 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1cccc([N+](=O)[O-])c1 2325610520 FETGSPLOLQECSZ-UHFFFAOYSA-N 436.324 5.230 30 10 IKEE CCOc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc4ccccc4c3)c2)cc1 2325700066 SRBKQFDLSYDABS-UHFFFAOYSA-N 436.507 6.283 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cc(C)cc(C)c3)c2)cc1OC 2325702880 ILSRFYDBIUNSDT-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)CCc3ccc(OC)cc3)c2)cc1 2325704730 YZGIWIBGDLGWEO-UHFFFAOYSA-N 444.527 5.701 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(OCC(C)C)cc3)c2)cc1 2325705803 DFJKZLYWEFQJLW-UHFFFAOYSA-N 428.528 6.399 30 10 IKEE CCCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccccc1F 2326026149 MYFYPDRETDOULU-UHFFFAOYSA-N 432.952 5.467 30 10 IKEE Cc1cccc(C)c1OCCCc1nnc(SCc2ccccc2)n1N=Cc1ccc[nH]1 2326388708 JQNJFTKANLEBTO-UHFFFAOYSA-N 445.592 5.409 30 10 IKEE CCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1ccc(OC(C)C)c(Cl)c1 2326667306 LPLJYDYSOBNRCJ-UHFFFAOYSA-N 439.972 5.327 30 10 IKEE CCOc1cccc(C=Nn2cnnc2SCc2ccc(Cl)cc2Cl)c1OC 2326697630 RTZGPLVICIBKRI-UHFFFAOYSA-N 437.352 5.167 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2)n1N=Cc1ccc(Cl)cc1 2328744534 DGIPRGJOVMEUQH-UHFFFAOYSA-N 426.973 5.494 30 10 IKEE Oc1cccc(C=Nn2c(COCc3ccccc3)nnc2SCc2ccc(F)cc2)c1 2329313473 NZKRRGZUQHYXDY-UHFFFAOYSA-N 448.523 5.014 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccc3Cl)n2N=Cc2ccccc2)cc1 2329559947 LNKMIHXPURTOQX-UHFFFAOYSA-N 449.923 5.681 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)cc2)n1N=Cc1ccc(Br)cc1 2329984780 PCBMYNOYFTWNAC-UHFFFAOYSA-N 441.398 5.490 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2F)n1N=Cc1cccc(F)c1 2330108507 OIGILDQSAYPIKI-QGZVFWFLSA-N 434.515 5.883 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2)n1N=Cc1cccc(Cl)c1 2330108558 UHZAWOAQZJTSTE-GOSISDBHSA-N 432.980 6.258 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3)n2N=Cc2cc(C)ccc2O)c1 2330178004 MAYZHEPDVCJKIT-UHFFFAOYSA-N 442.588 5.560 30 10 IKEE CCOc1cc(C=Nn2c(SCc3cccc(F)c3)nnc2-c2ccccc2)ccc1O 2330653812 LKRVOEIVRMAHCK-UHFFFAOYSA-N 448.523 5.363 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccc(Cl)c(C)c3)cc2)cc1 2330740749 RUAGGWXVLPWCFA-UHFFFAOYSA-N 434.919 6.091 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3ccc(C)cc3)c(OC)c2)cc1 2330742480 WMBNZZSLRZAELE-UHFFFAOYSA-N 430.500 5.690 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccccc3OC)c(OC)c2)cc1 2330770490 VLZLGXDOALZRPB-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)c2cccc(Br)c2)cc1 2331051363 DVVNKCMCXNUYMS-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3F)cc2[N+](=O)[O-])cc1 2331093000 PNZGSBPVPIKSDS-UHFFFAOYSA-N 437.398 5.226 30 10 IKEE CCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccccc2)cc1Br 2331165333 ZWIZJIHFWZEWRB-UHFFFAOYSA-N 438.115 5.423 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)Cc1ccc(C)c(C)c1 2331182797 OQIBLAJPSFCFRP-UHFFFAOYSA-N 440.539 6.085 30 10 IKEE COc1cccc(C(=O)Oc2c(OC)cc(C=CC(=O)c3ccc(C)cc3C)cc2OC)c1 2331216462 YONBTTFLPUSOKH-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)C)n2N=Cc2cc(Cl)ccc2O)c1 2331455881 VEYCQUGYODHCDQ-UHFFFAOYSA-N 428.989 5.627 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(C2CCC2)n1N=Cc1ccc(Cl)cc1 2331547914 RAIDYPRWZOELOE-UHFFFAOYSA-N 435.355 6.166 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)C=Cc2ccc(C(C)C)cc2)n(-c2ccc(C)cc2)n1 2331660132 KSEBNARZOGXYHB-UHFFFAOYSA-N 441.579 5.529 30 10 IKEE C=C(C)CSc1nnc(C(C)C)n1N=Cc1ccccc1OCc1ccccc1Cl 2331696308 OTYSHEWMYUVQMP-UHFFFAOYSA-N 441.000 6.184 30 10 IKEE Cc1ccccc1CCC(=O)Oc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1 2331859833 QHUMLQHCOVFTMF-UHFFFAOYSA-N 439.338 6.736 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)c(F)c3)cc2)c2ccccc12 2331866082 YRDRPQXKWYLLHR-UHFFFAOYSA-N 444.433 6.242 30 10 IKEE CCN[C@@H](C#C[C@H]1CC1(C)C)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2339567636 PPXYPVWLJTUCNC-SVBPBHIXSA-N 439.599 6.545 30 10 IKEE C[C@@H](CC(C)(C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339604813 VAZGGDVZWZYZFE-CLVCIHKQSA-N 446.397 5.187 30 10 IKEE CO[C@@]1(C)C[C@H]2C[C@@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2356214880 BCYKYHBRSFRDEJ-RPQNVMPDSA-N 435.362 5.288 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Oc2cc(C(C)(C)C#N)ccn2)ccc1Br 2370349153 MOIAHAQFAMFSFM-UHFFFAOYSA-N 432.318 5.785 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CCC(=O)C#Cc2ccc(Br)cc2)C1(C)C 2370410603 FBGBCRSWMIMFHA-APWZRJJASA-N 434.374 5.089 30 10 IKEE C=CCC1([C@@H](N)c2c(C)c(C)c(Br)c(C)c2C)CN(C(=O)OC(C)(C)C)C1 2372272679 UZSKAXLKSJWFRL-IBGZPJMESA-N 437.422 5.496 30 10 IKEE O=C(/C=C/c1ccc(-c2c(Cl)cccc2Cl)o1)c1ccc(-c2ccccc2Cl)o1 33568500 RKBGJQUIRCXJQS-CSKARUKUSA-N 443.713 8.063 30 10 IKEE C=CCNC(=O)[C@H](C)Oc1ccc2c(c1)[C@@H](c1ccccc1)N(Cc1ccc(C)cc1)CC2 34671790 CUBSDPUTKIWKAF-RBISFHTESA-N 440.587 5.212 30 10 IKEE CCCCN(CCCC)Cc1c(O)ccc2c1O/C(=C/c1c(Cl)cccc1Cl)C2=O 37857957 RWQVKVXQJZLEOR-HYARGMPZSA-N 448.390 6.717 30 10 IKEE CC(/C=C1\S/C(=N/c2cccc(C(=O)O)c2)N(C2CCCCC2)C1=O)=C\c1ccccc1 39866864 SJTJAXRHZHWPDL-SJOXRXNFSA-N 446.572 6.268 30 10 IKEE CCn1cc(/C=C2\Oc3c(ccc4c3CN(CC(C)C)CO4)C2=O)c2cc(OC)ccc21 41662636 XFLZQIHUZFMFOW-VROXFSQNSA-N 432.520 5.094 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/C=C/c3ccccc3)n2)cc1 59016247 OFVPVLZWFHBXQU-JJQYSVHHSA-N 434.569 5.160 30 10 IKEE C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3cc4c(cc3OCC)C[C@H](C)O4)c12 96925858 NQHLJROAYVULNT-CPFIRTDXSA-N 441.531 5.402 30 10 IKEE CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)C)cc2)cc1 102734619 COKJKTOCEYAQRT-UGUGFTGJSA-N 446.503 5.131 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)/C(=C(\O)c4cccs4)[C@H]3c3ccccc3)sc2c1 102737953 GRWWAAGOCUTIDK-GOBJLOIFSA-N 446.553 5.547 30 10 IKEE C=CCn1c(Sc2nccc(Oc3ccc(F)cc3)n2)nnc1-c1ccccc1OC 111194073 KHGNTNTZXMNFNA-UHFFFAOYSA-N 435.484 5.012 30 10 IKEE COc1cc(/C=N\n2cnnc2SCc2ccccc2)ccc1OCc1ccccc1F 138214518 YMJSIINNXDQSDU-VYYCAZPPSA-N 448.523 5.179 30 10 IKEE Cc1c(CO/N=C(/c2ccc(OC(F)(F)F)cc2)C2CC2)cccc1-c1ccccc1 145218064 OSLMVCSTZHVHBY-RMLRFSFXSA-N 425.450 6.892 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OCC(=O)Nc1ccccc1C 165443004 CBFXIJXHZVOKSQ-FYWRMAATSA-N 445.515 5.316 30 10 IKEE CCCN1C(=S)N[C@@H](c2ccc(Oc3ccc(C(C)(C)C)cc3)cc2)C2=C1CCCC2=O 169930257 ZBFJCAGXYKULEZ-VWLOTQADSA-N 448.632 6.425 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2cccs2)s1 169984481 DWFIGEDTWIGRPR-KRWDZBQOSA-N 444.965 5.566 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(Cl)cc2)s1 170059954 XUQUAVCLGSTAQJ-SFHVURJKSA-N 430.957 5.324 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(Cl)cc3)[C@H]2c2ccco2)cc1 170096689 HGXFTWOBKFAVBD-QFIPXVFZSA-N 435.907 5.316 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccccn2)cc1 170171781 PHHRKTCDQGGXBM-XMMPIXPASA-N 436.467 5.026 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccccn2)ccc1Cl 170172271 SZRUSLSVMHBKGZ-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccn2)cc1 170179340 YLOMVWBKPBVRHO-XMMPIXPASA-N 448.563 5.562 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@H]1c1ccccc1 170225361 ZVVSUOUKMUPHSS-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC(C)C)cc3)[C@@H]2c2ccccc2)cc1 170227190 UPLYZXRZZFBMMQ-VWLOTQADSA-N 441.527 5.813 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(F)cc2)cc1C(C)C 170244124 NSLYYTJGDLELDY-HSZRJFAPSA-N 437.511 5.479 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccccc1F)c1ccc(Cl)cc1 170247895 QKXWLWGYUDRZBS-HXUWFJFHSA-N 425.818 5.401 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccc(O)c2)cc1 170259902 YYEYTXSCGGSRGI-DEOSSOPVSA-N 443.499 5.272 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccc2C)c1 170273173 HLHBKOCUCFNWQK-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1sccc1C 170317379 ZJQACQURPVVFHH-IBGZPJMESA-N 445.968 5.630 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1cccc(OCc2ccccc2)c1 170457453 HHFCVDMVYDSLDF-SANMLTNESA-N 441.527 5.781 30 10 IKEE C=CCOc1cccc(NC(=O)c2ccc3c(=O)n(-c4ccccc4F)c(=S)[nH]c3c2)c1 195624762 XZCHPYXEBDNFTP-UHFFFAOYSA-N 447.491 5.004 30 10 IKEE O=C(/C=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(NC(=O)c2cccs2)cc1 210044023 SQMGXEUXDUTGPD-QBFSEMIESA-N 444.468 6.065 30 10 IKEE Cc1cc2c(cc1C)C(=O)/C(=C\c1cn(-c3ccccc3)nc1-c1cccc([N+](=O)[O-])c1)O2 214010337 CMOJIHPDYMODPW-ZVHZXABRSA-N 437.455 5.681 30 10 IKEE CC(C)c1ccc(C=NNc2nc(Nc3ccc(F)cc3)nc(N3CCCCC3)n2)cc1 252611033 IGFFUMXCISPLTO-UHFFFAOYSA-N 433.535 5.314 30 10 IKEE COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\SC(=Nc3ccccc3)N(C)C2=O)o1 252623719 OXUQISYJXBUFNT-APOQOXIPSA-N 435.461 5.097 30 10 IKEE CC(C)(C)C(=O)OCCCCSc1nnc(N/N=C/c2ccc(Cl)cc2Cl)[nH]1 253576100 VKIMTWKPCVUGMB-SRZZPIQSSA-N 444.388 5.019 30 10 IKEE COc1ccc(OC)c(/C=C2\SC(=Nc3c(C)cccc3C)N(c3ccccc3)C2=O)c1 254876045 OLVQEPYPKVCBKT-MLSYBWHESA-N 444.556 6.129 30 10 IKEE N#CCc1ccc(OCc2cccc(NC(=O)CCc3cc4ccccc4nc3O)c2)cc1 502351687 KAMYSRHUTVALGL-UHFFFAOYSA-N 437.499 5.157 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(Cl)cc2)cc1OC 526489885 UDWNGNDPLQFEKO-QHCPKHFHSA-N 446.890 5.286 30 10 IKEE Cc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccc(OC(C)C)c(Cl)c1 526812053 YFJFLPSOVCJYSJ-KSEXSDGBSA-N 435.380 5.855 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1cccc(Br)c1 526818837 CMGTZZAINIOIOD-QRVIBDJDSA-N 443.414 5.784 30 10 IKEE C=C(C)CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586242301 WSJCINFIHBLGQM-UHFFFAOYSA-N 448.371 6.557 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)cc(Br)cc1F 689351713 RYJKRCAMERKLRB-RDJZCZTQSA-N 433.337 5.237 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Br)c(F)c1F 689628837 RYPLEBZJXSBLFE-PBHICJAKSA-N 433.337 5.237 30 10 IKEE C[C@@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)CN1C(=O)OC(C)(C)C 698831506 ZYLTYLDXHBGYRX-MWTRTKDXSA-N 433.524 5.249 30 10 IKEE COc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)cc1Br 698853807 UQGXLVPCOISVCC-KRWDZBQOSA-N 435.293 5.603 30 10 IKEE CCOc1ccccc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 710798884 ZIHZBAXATPLONR-SFHVURJKSA-N 431.330 5.854 30 10 IKEE C=CCC1([C@H](N)c2ccc(Br)c(Cl)c2F)CN(C(=O)OC(C)(C)C)C1 722916967 ORXIBPDTADHKCS-OAHLLOKOSA-N 433.749 5.055 30 10 IKEE CC(=O)C(=NNc1ccc(C)cc1)Sc1ncc(-c2ccccc2)n1-c1ccccc1 1084622092 JKGMDLYOIVIYLA-UHFFFAOYSA-N 426.545 5.954 30 10 IKEE CCCCCC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@]4(C)[C@H]3CC[C@]21C 1565538678 XDVHIXRJLWUKRR-AKYQICMWSA-N 440.624 6.136 30 10 IKEE C/C(=C1\SC(=Nc2cccnc2Cl)N(C2CCCCC2)C1=O)c1ccc(O)cc1 1772734054 OTPQHYVROSZEES-NLEVOZIKSA-N 427.957 5.767 30 10 IKEE C/C(=C1/SC(=Nc2ccncc2Cl)N(C2CCCCC2)C1=O)c1cccc(N)c1 1772736561 LRSSHIRMNBFYSU-NKFJNAIASA-N 426.973 5.644 30 10 IKEE CC(=C\c1ccccc1)/C=C1/SC(=NN=Cc2cccnc2)N(Cc2ccco2)C1=O 1772758301 QWXKTRALIQPCKW-MJZSXXDOSA-N 428.517 5.128 30 10 IKEE COc1ccc(/C=C2\SC(=NN=C/C=C/c3ccccc3)N(Cc3ccco3)C2=O)cc1 1772759680 WIDWOBGEDGILQO-LPRUVNQBSA-N 443.528 5.460 30 10 IKEE CCCCCCCCc1ccc(CC[C@@](CO)(COC(C)=O)NC(=O)OC(C)(C)C)cc1 1848439599 NWOXCGCDMOUENH-AREMUKBSSA-N 449.632 5.341 30 10 IKEE Cc1ccccc1OCCCCSc1nc(O)c(C#N)c(-c2cccc(Cl)c2)n1 1860465984 AFBFPSYHBBQUDE-UHFFFAOYSA-N 425.941 5.634 30 10 IKEE O=C(/C=C/c1ccc(Cl)cc1Cl)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 1860727376 ZZWIJNWTJNJJKO-JXMROGBWSA-N 446.717 6.660 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCC)NC(=O)CCc1ccc(Br)cc1 1861103986 VBIFWBKGAIYNGZ-HXUWFJFHSA-N 439.438 5.143 30 10 IKEE CCCCCCCCCCNC(=O)CCCOc1ccc(Br)cc1Cl 1861876829 TUNGZQCQXTVUPZ-UHFFFAOYSA-N 432.830 6.518 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1cccc2ccccc12 1862381985 DIZBPVZCCNXTEO-OAQYLSRUSA-N 440.326 6.135 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 1862396909 LPPPVYGMPCLACE-XMMPIXPASA-N 431.576 6.091 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@H]2c2cccc(OCCC)c2)cc1 1862398638 WKYPAAGEPWCTEU-VWLOTQADSA-N 449.591 6.196 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCCc2ccccc2)cc1 1862413095 VBWIZNIIDSIEGY-XMMPIXPASA-N 447.481 5.484 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCc3ccccc3)[C@H]2c2ccccc2)cc1 1862475325 IVKLRKXZERFJJU-VWLOTQADSA-N 425.528 5.596 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(C(=O)OC)cc1 1862536621 CHHGZEGTJUYBPL-QHCPKHFHSA-N 449.547 5.194 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(Cl)cc2Cl)c1 1862562828 OPRHIRVADFVHEN-FQEVSTJZSA-N 445.346 5.487 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CCCCCO)c1 1862580410 JDUVUQJJDXQVJC-FQEVSTJZSA-N 448.346 5.043 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(F)c1 1862581376 GRFKOXCJXJCFFX-IBGZPJMESA-N 436.310 5.757 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1C1CCCCCC1 1862649317 VORPPCXTKLGXQE-SANMLTNESA-N 439.555 6.449 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccccc2)cc1 1862660711 PJRKDFAFMWQXHS-VWLOTQADSA-N 429.560 6.279 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862688061 ROUGAWXTXAUNHL-DEOSSOPVSA-N 433.548 5.559 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 1862690171 JGAJAJBMQCUNIR-LJQANCHMSA-N 433.426 5.092 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2cccc(Cl)c2)c1 1862700317 DPQIATZPEJMUGE-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3cccc4c3CCCC4)C2=O)cc1 1862904637 YEZKCQUHOPEVLH-UHFFFAOYSA-N 433.511 5.142 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)cc2F)=C(c2ccc(F)cc2F)C1=O 1863317216 DENMWXUQFQGTLE-UHFFFAOYSA-N 448.460 5.796 30 10 IKEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2CCC)[C@@H]1c1cccs1 1864493864 BJANLHQQFYZLCG-FQEVSTJZSA-N 444.645 5.088 30 10 IKEE C[C@H](CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc(C#N)c1)c1cccc(Cl)c1 1867184468 KCGJIAJNBMCCGL-HOYKHHGWSA-N 445.950 5.071 30 10 IKEE Cc1ccc(-c2nc(Nc3cccc(C#N)c3)cc(N3CCO[C@@H](c4cccnc4)C3)n2)cc1 1868312314 IPUNXUYHNZBERA-XMMPIXPASA-N 448.530 5.040 30 10 IKEE C=CCn1cc(OCC(=O)Nc2cc(C)ccc2C)c(=O)cc1CSCc1ccccc1 1870214931 KBROMNPCTAYRLE-UHFFFAOYSA-N 448.588 5.102 30 10 IKEE C=CCn1cc(OCc2cccc(Cl)c2)c(=O)cc1CN(CCCC)CCCCCC 1870407156 PGKVJCYLGOOFGW-UHFFFAOYSA-N 445.047 6.449 30 10 IKEE C=CCn1cc(OCCOc2ccc(C)cc2)c(=O)cc1CN(CCCC)CCCC 1870772966 PZOUPEGRSMCXTN-UHFFFAOYSA-N 426.601 5.203 30 10 IKEE CCCCCCCOc1cn(CCCOC)c(CNc2ccc(CCCC)cc2)cc1=O 1870830413 NKQZHIWVQLACKB-UHFFFAOYSA-N 442.644 6.189 30 10 IKEE CCCCCCCOc1cn(C[C@H]2CCCO2)c(CNc2ccc(C)c(Cl)c2)cc1=O 1870833799 UEDXMNMYFRYBBS-JOCHJYFZSA-N 447.019 5.950 30 10 IKEE C=CCn1cc(OCC(=O)OCCCCCC)c(=O)cc1CNc1ccccc1C(C)C 1870840160 QOWUIOGFFASBLM-UHFFFAOYSA-N 440.584 5.272 30 10 IKEE CCN(CC)CCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccccc1C)C3=O 1871349528 VTDWYBNICHJEDO-JLPGSUDCSA-N 434.580 5.194 30 10 IKEE Cc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCCCc2ccccc2)C4)o1 1871354683 XUTWRNSGKOGVOU-IWIPYMOSSA-N 429.516 5.687 30 10 IKEE CCCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871378320 GJJJERIOICCMQI-AYSARKQPSA-N 440.495 6.019 30 10 IKEE CCOc1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2)C3=O)cc1 1871380128 XTJLVKPVHADAIE-VVTYEFPJSA-N 426.468 5.629 30 10 IKEE COc1ccc(OC)c(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2C)C3=O)c1 1871380384 LQVXVPFOVYYGAQ-QXXZEVIWSA-N 442.467 5.247 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871389078 IVEJOGFBQDXTLM-UCQKPKSFSA-N 428.440 5.146 30 10 IKEE CCCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2)C3=O)cc1 1871390604 DXQOSMVEYGQZMQ-HAHDFKILSA-N 428.440 5.228 30 10 IKEE COc1cccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccc(C)cc4)ccc3C2=O)c1 1871406331 GPTZXNJVHXALBC-PDESAOGPSA-N 429.472 5.026 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)c(C)c1 1871410857 IYEWBSWFLUJIOX-QODTYRDMSA-N 439.511 5.882 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OCCOc3cccc4ccccc34)ccc2C1=O 1871415814 UUYYNIMBJNKRGP-JLPGSUDCSA-N 428.509 6.284 30 10 IKEE Cc1cc(OCc2ccc(C#N)cc2)cc2c1C(=O)/C(=C/c1ccc(Br)cc1)O2 1871417322 IOYSTORTFJIGRR-JJFYIABZSA-N 446.300 5.824 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)c(Cl)c1 1871436226 RDCPCDNNXQOUIG-JJFYIABZSA-N 437.854 5.421 30 10 IKEE CCc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871454647 VXTMBCOEARDTRU-QRVIBDJDSA-N 431.463 5.330 30 10 IKEE Cc1cccc(C)c1OCCCC(=O)[C@H](C#N)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872760252 KTFCSFPWDQFZCK-QHCPKHFHSA-N 444.600 6.341 30 10 IKEE Cc1cc(OCC(=O)[C@H](C#N)c2nc(-c3ccccc3Cl)cs2)cc(C)c1Cl 1872764200 GPTGVABQTLYUDV-INIZCTEOSA-N 431.344 5.989 30 10 IKEE N#C[C@H](C(=O)/C=C/c1ccc(Cl)cc1Cl)c1nc(-c2ccc(F)cc2F)cs1 1872767548 UXDMJYMYXZBCAY-OYLQIYHASA-N 435.282 6.285 30 10 IKEE CC(C)c1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(Oc4ccccc4)c3)n2)cc1 1872776749 WPJDFFCRZJPVOS-DEOSSOPVSA-N 438.552 7.216 30 10 IKEE COc1c(Cl)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)C(Cl)(Cl)Cl)n1 1872778095 DAWBHXDZKFGBSD-MRVPVSSYSA-N 444.554 5.672 30 10 IKEE C=CCOc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2ccc(OC)c(C)c2C)cs1 1872778374 JWLHAASVGUXMFD-LJQANCHMSA-N 448.544 5.256 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccc(Cl)cc3)n2)cc1Cl 1872785966 YBSOUSVXKXLYQF-BLLLJJGKSA-N 447.343 5.769 30 10 IKEE CC(C)c1ccccc1O[C@@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)s2)cs1 1872789604 OEBOAISZSARNMO-DZGCQCFKSA-N 430.982 6.292 30 10 IKEE N#Cc1ccc(NC2=C(c3ccc(-c4ccccc4)cc3)C(=O)N(C3CCCCC3)C2=O)cc1 1873274962 PGPCHHOILJPTCV-UHFFFAOYSA-N 447.538 5.750 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C(C)=O)cc2)=C(c2ccc(OC)cc2)C1=O 1873370311 FPNKHVGJOGWSJV-UHFFFAOYSA-N 448.563 5.450 30 10 IKEE CCCCCCCCNC(=O)c1cc2c(N(CCC)CCCC)ncnc2n1CCOC 1873589047 AMFGRQCKEQZHFH-UHFFFAOYSA-N 445.652 5.185 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C(C)(C)C)c2)cc2c(NCCCCCC)ncnc21 1873639017 RBLVGDMBEWCKKN-UHFFFAOYSA-N 433.600 6.159 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1cccc(C(C)(C)C)c1)n2CC=C 1873661798 DLRIWIQHCWJLPQ-UHFFFAOYSA-N 429.568 5.346 30 10 IKEE CCCCCCCCCCNC(=O)C[C@@H](CN1Cc2ccccc2C1=O)c1ccccc1 1873936888 REFJDSREYYVACC-VWLOTQADSA-N 434.624 6.073 30 10 IKEE Cc1ccccc1CSc1nnc(CCOc2ccccc2)n1/N=C/c1ccccc1O 1874344675 ACMLSSWRDPGUKS-YZSQISJMSA-N 444.560 5.088 30 10 IKEE COc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccccc2F)cc1OC 1874438564 HCNYMYMHAKQRPA-AFUMVMLFSA-N 442.560 5.198 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccccc1OC(C)C 1874478226 UYNGCSDBSJBOPZ-MFKUBSTISA-N 426.561 5.722 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C(C)(C)C)c1O 1874485136 GRJOWFVAJKRXKX-FSJBWODESA-N 430.961 5.118 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccc(CC)cc2)n1/N=C/c1ccccc1Cl 1874504072 IVLIBTNXBPUYGX-ZVHZXABRSA-N 441.988 5.059 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1/N=C/c1cccc(Cl)c1 1874505259 SSNDNLSUQKYAJK-ZMOGYAJESA-N 441.988 5.114 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2cccc(C)c2C)cc1 1874577710 BIKIJBFMJWDLFY-SAPNQHFASA-N 429.516 5.616 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(F)cc2)c1 1874583827 IMJYDXKGXRZALN-WEVVVXLNSA-N 437.898 6.010 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cc(Br)cc(OC)c1OC 1874589120 UULCLONAWKUJMK-AATRIKPKSA-N 425.706 5.333 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC)c(OCc3c(F)cccc3Cl)c2)c1 1874594006 MWGLKKRNJUAZRW-PKNBQFBNSA-N 426.871 5.971 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OCc1ccc(Cl)cc1Cl 1874596276 KZIIMBLLAMBPAX-BJMVGYQFSA-N 441.354 7.094 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccc(C)cc3C)c2)c(C)c1C 1874598470 NNCXQXPZTNZCOB-JLHYYAGUSA-N 443.543 5.842 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(OC)c1OCc1cc(C)ccc1C 1874608712 CSWGRLLXLNWHQI-VAWYXSNFSA-N 436.935 6.449 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OCc1ccccc1Cl 1874617620 LEKNLBPSTRUZEU-WYMLVPIESA-N 446.974 7.169 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3cccc(C)c3C)c2)cc1OC 1874693883 AXSXFFGIJSMPTG-ACCUITESSA-N 446.499 5.201 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccccc2Cl)c1 1874718708 TZUBBOHFWHAREZ-PKNBQFBNSA-N 427.283 6.117 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1Cl)c1ccccc1 1875104635 HETWEWWNNLALTE-UXBLZVDNSA-N 431.702 6.762 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1cccc(F)c1 1875105852 PIJIQDZCHGIQEM-WEVVVXLNSA-N 445.273 6.256 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc(Br)c3)cc2)cc1C 1875114237 FXYQRJHQOBNXCA-UKTHLTGXSA-N 435.317 6.181 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)c1cccs1 1875120961 SITVUOPNDMRMKL-VMPITWQZSA-N 430.428 5.159 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccn3)cc2)cc1OCCC 1875124007 OQKDLSVPQVUEOL-GXDHUFHOSA-N 445.515 5.775 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc([N+](=O)[O-])c1OC(=O)c1ccco1 1875124125 BFVBMTNEMPKEMC-CMDGGOBGSA-N 441.823 5.355 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(OCC)c(OC(=O)CC(C)C)c([N+](=O)[O-])c2)cc1 1875130117 KGFOBHXTOLMIIL-KPKJPENVSA-N 441.480 5.240 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1c(F)cccc1Cl 1875142517 HEVRXFPBVUPPPW-UXBLZVDNSA-N 442.845 6.051 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3OC)cc2)CC1 1875143656 KNLCUAJOUJSZCB-SFQUDFHCSA-N 434.576 6.802 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1ccc(C)c(C)c1 1875144241 LUCHWESVARWLLL-DHZHZOJOSA-N 430.500 5.744 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2)cc1 1875156217 PKPRDKNCYBIFSG-VXLYETTFSA-N 442.555 6.643 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc1OCC 1875187808 HSCDDFUBGBRZGG-ZHACJKMWSA-N 444.955 6.356 30 10 IKEE CN(CC1CCN(C(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)CC1)c1ncccc1C#N 1891000892 JYMPATGAPOSNIC-UHFFFAOYSA-N 446.639 5.537 30 10 IKEE N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)[C@@H](c3ccccc3)c3ccc(Cl)cc3)C2)c1 1891449203 GQQWKIGKENMSAA-NLFFAJNJSA-N 445.950 5.056 30 10 IKEE CC1=C(B2OC(C)(C)C(C)(C)O2)CCN(C(=O)c2ccccc2OCc2ccccc2)C1 1892828226 YGGNMJMRDWPDND-UHFFFAOYSA-N 433.357 5.059 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](O)c1sc(CC)cc1Br 1922053714 DXROFLHHTXKVLJ-UXHICEINSA-N 438.431 5.248 30 10 IKEE C=CCC1([C@H](NCC)c2cc(C)cc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 1926713419 UKXRILPHHKKHST-GOSISDBHSA-N 441.385 5.360 30 10 IKEE CN(C[C@@](C#N)(N(C(=O)OC(C)(C)C)C1CCCCC1)C(C)(C)C)C(=O)OC(C)(C)C 1944385283 GMMROGWJCYUQNR-XMMPIXPASA-N 437.625 5.732 30 10 IKEE C#CCCN(C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C)C(C)(C)C 1984726168 XNHMZLVZTCTQNZ-RUZDIDTESA-N 446.591 5.200 30 10 IKEE CC(C)(COc1cc(C#N)cc(Cl)n1)CN(Cc1ccccc1)C(=O)OC(C)(C)C 1986492936 MSYWRDVOCZQPAS-UHFFFAOYSA-N 429.948 5.449 30 10 IKEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](N(CCNC(=O)OC(C)(C)C)Cc2ccccc2)C1 2006128862 LJSZJGZCNMKGHZ-YTFSRNRJSA-N 427.633 5.758 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@](C)(C#N)C1CCSCC1 2029439397 OKYVAARNRNIGFP-LJQANCHMSA-N 425.392 5.616 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2)NCCC 2054642098 ZWJXPKMXDLBSAA-KMDXXIMOSA-N 442.644 5.601 30 10 IKEE CC(C)(C)c1nn([C@H](c2ccc(C(F)(F)F)cc2)C2CCC2)c(Br)c1C#N 2079895636 WNXVGYAXJZAXQA-INIZCTEOSA-N 440.307 6.223 30 10 IKEE CCCc1ccc([C@@H](C2CCC2)n2nc(C(F)F)c(C=NO)c2Br)cc1 2079927905 YKKPHYKNKAWPCV-QGZVFWFLSA-N 426.305 5.733 30 10 IKEE CCCOc1ccc([C@H](C2CCC2)n2nc(C3(C)CC3)c(C=NO)c2Br)cc1 2080070263 BUTWYUGGVRABKD-IBGZPJMESA-N 446.389 5.684 30 10 IKEE N#Cc1c(C2CCCC2)nn2c(Cl)cc(-c3ccc(C(F)(F)F)cc3Cl)nc12 2081395700 WMQGUMISOYZEHT-UHFFFAOYSA-N 425.241 6.251 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(C)c1Br)NCCC 2087876435 DVIQIVINRUPZMU-ROUUACIJSA-N 425.411 5.138 30 10 IKEE CC(C)(C)OC(=O)N1CCCc2cc(Nc3cc(Br)cc(C#N)c3)ccc21 2162420020 PIDQJNZQRZYRNR-UHFFFAOYSA-N 428.330 5.752 30 10 IKEE N#Cc1ccc(N2CCCCN(Cc3ccccc3)CC(F)(F)C2)c(Br)c1 2164876819 MERGKLGEOOTCMS-UHFFFAOYSA-N 434.328 5.058 30 10 IKEE C#Cc1ccc(NC(=O)c2cc(NC(=O)OC(C)(C)C)c(C)cc2Br)cc1 2180073683 LUQLECROEFOAMK-UHFFFAOYSA-N 429.314 5.338 30 10 IKEE Cc1cc(Cl)c(Br)cc1NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2202843254 OCSOGNVBCLWWPE-UHFFFAOYSA-N 436.586 5.322 30 10 IKEE O[C@H](C#Cc1ccccc1Br)c1ccc(Br)cc1Br 2227481594 LEIUVDPIKQBQMF-OAHLLOKOSA-N 444.948 5.059 30 10 IKEE C=CC1(C[C@H](NC)[C@@H](Cc2ccccc2Br)NC(=O)OC(C)(C)C)CCC1 2237420147 OMEAIZNCOYFDFX-MOPGFXCFSA-N 437.422 5.219 30 10 IKEE Cc1cc(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)ccc1NC(=O)OC(C)(C)C 2255531425 ZNPOJWILMIZMIZ-UHFFFAOYSA-N 430.354 5.297 30 10 IKEE CC1(C)OB(c2cc(C(=O)N(Cc3ccccc3)c3ccccc3)ccc2Cl)OC1(C)C 2266988728 SNSDBMWXGHBLPB-UHFFFAOYSA-N 447.771 5.486 30 10 IKEE C=CCC(CC=C)[C@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)NCCC 2301036149 DBVJTIVUFNGRGV-DEOSSOPVSA-N 429.649 5.150 30 10 IKEE CSc1ccc(C=CC(=O)c2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2)cc1 2313521247 TYVDRZMIXWGZCL-UHFFFAOYSA-N 444.468 5.013 30 10 IKEE N#Cc1c(NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)sc2c1CCCC2 2313724720 WRXWUXXBYUJOSH-UHFFFAOYSA-N 443.355 6.717 30 10 IKEE COc1cccc(C(=O)Oc2ccccc2C=CC(=O)c2ccc(-c3ccccc3)cc2)c1 2314430010 UEXOFDPRBBJRDC-UHFFFAOYSA-N 434.491 6.478 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O 2314437986 DAEKYBZPTHBASL-UHFFFAOYSA-N 436.847 5.193 30 10 IKEE CSC1(C#C[C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCC1 2314637372 VVLZSHZPYBRYOB-VWLOTQADSA-N 444.596 6.167 30 10 IKEE COc1cc(C=CC(=O)C(=O)Nc2cccc3ccccc23)ccc1OCc1ccccc1 2318788778 RIIHGSYOYMSQRD-UHFFFAOYSA-N 437.495 5.648 30 10 IKEE Cc1ccccc1COc1ccc(C=Nn2cnnc2SCc2cccc(F)c2)cc1 2321254334 UQISQPDOEZGSBB-UHFFFAOYSA-N 432.524 5.479 30 10 IKEE CCn1cc(C=C2Oc3cc(OCc4cc(C)ccc4C)cc(C)c3C2=O)c2ccccc21 2321757988 PLEOCUGSVKNHCZ-UHFFFAOYSA-N 437.539 6.782 30 10 IKEE CC(C)Cc1nnc(S)n1N=Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1 2321907998 COKDBLHOGMUAGN-UHFFFAOYSA-N 435.380 5.533 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1cccc(F)c1)O3)CN(Cc1ccccc1Cl)CO2 2321958511 YLPCUOILGBJSGF-UHFFFAOYSA-N 435.882 5.756 30 10 IKEE O=C(COc1ccccc1C=CC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccccc1 2322288877 PXNOIBNIFWLOGT-UHFFFAOYSA-N 433.507 6.267 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCc3cccc(F)c3)ccc3ccccc23)cc1OC 2322348181 YSGRHBLNANAJQP-UHFFFAOYSA-N 442.486 6.471 30 10 IKEE O=C(C=Cc1cc(Br)ccc1OCc1ccccc1)c1ccc(F)cc1F 2322487797 QVJAESXPBRNMFW-UHFFFAOYSA-N 429.260 6.202 30 10 IKEE COc1cccc(C=CC(=O)c2cccc3ccccc23)c1OCc1ccccc1Cl 2322724721 IZOADJDLZKUZBW-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1OCC(=O)Nc1cccc(C)c1C 2323218280 VFMUTWKIZJTLQK-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1 2323792109 NSUNWDYJQRRTDK-UHFFFAOYSA-N 435.907 5.652 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OCC(=O)Nc1ccccc1 2323823806 NGCPROSHKLPKIT-UHFFFAOYSA-N 427.500 5.337 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OCC(=O)NC3CCCCC3)c(Cl)c2)c1 2323943819 WDWLJTFEXQPPSJ-UHFFFAOYSA-N 425.956 5.681 30 10 IKEE CCCOC(=O)COc1c(Cl)cc(C=CC(=O)c2cc(C)ccc2C)cc1OCC 2323949436 DZQQSEZDDVNXEY-UHFFFAOYSA-N 430.928 5.584 30 10 IKEE C=CCOc1c(Br)cc(C=CC(=O)c2cccc3ccccc23)cc1OCC 2324141143 TXYJEYBXXRSOTG-UHFFFAOYSA-N 437.333 6.462 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(O[C@H](C)C(=O)Nc3ccccc3C)c2C)C1=O 2324413008 WXYXAMVNRQSMRU-LJQANCHMSA-N 427.500 5.634 30 10 IKEE Cc1cccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccc(C)cc4C)cc(C)c3C2=O)c1 2324494555 AUFAIEXTOJFNAH-FQEVSTJZSA-N 441.527 5.942 30 10 IKEE CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1 2324521312 HBXVBSYCSWADFO-MRXNPFEDSA-N 447.462 5.247 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccc(Cl)cc4)cc(C)c3C2=O)cc1 2324611610 LDWINZSKSSUDPE-KRWDZBQOSA-N 447.918 5.979 30 10 IKEE CCc1ccc(OCCCOc2ccc3c(c2C)OC(=Cc2ccc(OC)cc2)C3=O)cc1 2324658261 OHTQEEVPWPZKFC-UHFFFAOYSA-N 444.527 6.030 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccc(C(=O)O)cc2)cc1 2325470892 DCSXJLBCDHWTRV-UHFFFAOYSA-N 442.544 5.050 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O)Nc1ccc(F)c(Cl)c1 2325592689 HSSIRBZOJOTASB-UHFFFAOYSA-N 441.817 5.252 30 10 IKEE CCOc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccc(C)cc2)C3=O)cc1 2325705485 OOANWAAUDHCNKV-UHFFFAOYSA-N 443.499 5.336 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1OC(=O)c1ccc(F)c(F)c1F 2325725169 DULXYNVAWVFHEG-UHFFFAOYSA-N 448.343 5.506 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OC(=O)C12CC3CC(CC(C3)C1)C2 2325740007 UNKCCJCFKCDAPR-UHFFFAOYSA-N 444.571 6.330 30 10 IKEE CCc1ccc(C(=O)Oc2cc(C=CC(=O)c3cc(OC)ccc3OC)ccc2OC)cc1 2325744077 YJBGODSLOJMGLS-UHFFFAOYSA-N 446.499 5.390 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)Cc3cc(C)ccc3C)c2)cc1C 2325770898 MNFWRCYWTHSKIC-UHFFFAOYSA-N 428.528 5.973 30 10 IKEE CCOc1ccc(C=Nn2c(COc3ccc(C)cc3C(C)(C)C)nnc2SC)cc1 2325901986 JNNPGMSMZDYFDK-UHFFFAOYSA-N 438.597 5.466 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccc(OCC)c(Cl)c1 2326303361 OXYGTIDLQSSWBX-UHFFFAOYSA-N 428.989 5.766 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1cccc(Cl)c1Cl 2326474967 LVKPWEWFWLIGAT-UHFFFAOYSA-N 439.799 6.365 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1ccc(Cl)c(Cl)c1 2326683360 GBVAQJVCIOEXLE-UHFFFAOYSA-N 444.391 5.974 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3C)n2N=Cc2ccco2)c(C)c1 2328880153 URXRWPIRGAJTBV-UHFFFAOYSA-N 432.549 5.550 30 10 IKEE CCSc1nnc(COc2ccc(C)cc2C)n1N=Cc1ccc(N(CC)CC)cc1 2328889987 LTXQPGYQJJGIIU-UHFFFAOYSA-N 437.613 5.314 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2ccncc2)cc1C 2329433980 VCKJKGQUFAPAAL-UHFFFAOYSA-N 427.577 5.098 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2C)n1N=Cc1ccc(O)cc1 2329470053 GYWARFCMXHALID-UHFFFAOYSA-N 442.588 5.560 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3F)n2N=Cc2cccc(F)c2)c1 2329717139 LPWUQXSOIGFTER-UHFFFAOYSA-N 434.515 5.630 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccc(F)cc2)n1N=Cc1ccccc1F 2329805491 ZXHITOJFINYJOS-UHFFFAOYSA-N 434.515 5.630 30 10 IKEE Cc1ccc(C=Nn2c(COc3ccccc3)nnc2SCc2ccc(C)cc2)cc1 2329874210 LFGWQARHPGUQMJ-UHFFFAOYSA-N 428.561 5.648 30 10 IKEE COc1ccccc1C=Nn1c(Cc2ccc(C)cc2)nnc1SCc1ccccc1C 2329940002 TYUJCKIARCFLMQ-UHFFFAOYSA-N 442.588 5.669 30 10 IKEE Clc1cccc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccccc2)c1 2330210982 SRIPONIRMYGCSR-UHFFFAOYSA-N 432.980 5.891 30 10 IKEE COc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccccc2)cc1O 2330271324 DNNTXUAXMUYQSM-UHFFFAOYSA-N 436.581 5.290 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1 2330651620 ADBUZPMPSFSJCO-UHFFFAOYSA-N 442.898 6.617 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)CCCC4)cc2OC)cc1 2330705136 FNFFISGNLCMPIT-UHFFFAOYSA-N 442.511 5.698 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(Br)cc3)cc2)cc1 2330738751 WBULSBSFUBKDJF-UHFFFAOYSA-N 449.344 6.056 30 10 IKEE Oc1ccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2[C@@H]2CCCO2)cc1 2331004507 ICGQRNQGZGXORK-SFHVURJKSA-N 449.363 5.317 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)[C@@H](C)c1ccccc1 2331077968 ZTGGAFCVGYMNII-IBGZPJMESA-N 430.500 5.699 30 10 IKEE Cc1ccsc1C=Nn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccco1 2331225713 RZBPRRDRQZZCLQ-UHFFFAOYSA-N 449.388 6.389 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1OCC 2331246027 UFQYFERFSYSRPO-UHFFFAOYSA-N 441.738 6.647 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)[C@H](C)c1ccccc1 2331327393 AFRQWHMECWJIPF-OAQYLSRUSA-N 428.528 6.307 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(Cl)c(OC(=O)c2cccnc2)c(OC)c1 2331351059 NMKDLVJQONPDFM-UHFFFAOYSA-N 437.879 5.176 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(F)cc1F 2331358583 OKUCTZJNTAPHQK-UHFFFAOYSA-N 438.906 5.866 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2ccc(C(C)C)cc2)c1 2331684844 WTYDGSAJTXKWSV-UHFFFAOYSA-N 449.624 5.755 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2)cc1 2331704579 FUJVEAPUQUBTMB-UHFFFAOYSA-N 442.555 6.527 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(OCC)cc2OCC)cc1OC 2331731003 GAJBTDILUKJXRY-UHFFFAOYSA-N 446.927 5.748 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)c1ccccc1C 2331802401 JQJIDYDPPVIPBZ-UHFFFAOYSA-N 442.555 6.725 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3cc(Cl)ccc3Cl)cc2)c1 2331859130 PYRXCKMHUMWMCY-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE CC#CCN(C[C@@H](NCCC)c1cc(F)cc(Br)c1F)C(=O)OC(C)(C)C 2363129521 GJSDDQFNBNCGMT-QGZVFWFLSA-N 445.348 5.028 30 10 IKEE CO[C@H](C#C[C@@H](N)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1)C1CCCC1 2369630785 CJCMQSLRXBBZRP-IEBWSBKVSA-N 437.378 5.005 30 10 IKEE CCOc1ccccc1[C@H]1C2=C(CCCC2=O)Nc2nc(SCc3ccccc3C)nn21 9856592 IWUCKSFKRGXOJQ-QHCPKHFHSA-N 446.576 5.300 30 10 IKEE CCc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(F)c(Br)c2)cc1 20882123 JEMRPNBVPLZGNG-DLBZAZTESA-N 442.328 5.155 30 10 IKEE COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(SC)cc1 21240283 OJWAGNAQTDWKRM-MYUZEXMDSA-N 442.584 6.397 30 10 IKEE CCc1ccccc1N/C(=N\C(=O)c1cc(C)cc(C)c1)NCCc1c(C)nn(CC)c1C 32973336 OIKWPQWRQSPRJZ-UHFFFAOYSA-N 445.611 5.140 30 10 IKEE O=C1N/C(=N\N=C\c2ccccc2)S/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 33568020 VREQQQYKZOCYHW-KWVIKTSMSA-N 441.434 5.559 30 10 IKEE C=CCNC(=O)c1csc(-c2ccc(OCc3cccc(C(F)(F)F)c3)c(OC)c2)n1 34712487 JCNAQYILLZPUKT-UHFFFAOYSA-N 448.466 5.332 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)cc3)c(OC)c2)c1 34954249 IOACNQPPBYRLQM-KPKJPENVSA-N 432.472 5.136 30 10 IKEE COc1cccc(/C=C2\S/C(=N/c3cccc(C(=O)O)c3)N(C3CCCCC3)C2=O)c1 39866808 JPHIDVWUGNMUHK-YCBMQGOFSA-N 436.533 5.330 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@H]1c1ccc(Cl)cc1 40078194 AJWMOGGSBPLRJF-OAQYLSRUSA-N 427.928 5.507 30 10 IKEE C=CCc1ccccc1OCCCCn1c(CCNC(=O)C(CC)CC)nc2ccccc21 40198179 ZMILQGLYLOFHIE-UHFFFAOYSA-N 447.623 5.719 30 10 IKEE COc1cccc2cc(C(=O)Oc3cc(C)c4c(c3)O/C(=C\c3cccc(F)c3)C4=O)oc12 41354053 NYZDZLCBNYKQBT-NHDPSOOVSA-N 444.414 5.724 30 10 IKEE CCOc1ccc(/N=C2/NC(=O)/C(=C/c3cc(C)n(-c4cccc(F)c4)c3C)S2)cc1 59137322 KZGKXDOJGGZEJH-XKZIYDEJSA-N 435.524 5.524 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(ccc(OC(=O)Cc4ccccc4)c3C)C2=O)cc1 62926584 VQWWSKGQVSLOAR-UQQQWYQISA-N 441.527 5.606 30 10 IKEE Cn1c(=O)c(C(=O)/C=C\c2ccccc2)c(-c2ccccc2)c2cc(Br)ccc21 96265920 TZAOISQLDLBPLV-QINSGFPZSA-N 444.328 5.864 30 10 IKEE O=C(Nc1cccc(Cl)c1)[C@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2ccccc2)S1 100404119 DHQCSNGHWQFJRY-LQUAGZSJSA-N 449.963 5.501 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)c1ccc(-n2nc(C)cc2C)cc1 100960570 WYTRWOFZTXZRSU-UHFFFAOYSA-N 439.688 7.700 30 10 IKEE CCN1C(=O)/C(=C(\C)c2ccc(Br)cc2)S/C1=N/c1cccnc1Cl 101126639 FLDRTYFNFLTZFQ-ZLOINBNRSA-N 436.762 5.512 30 10 IKEE CCCCCCCCn1c(CCNC(=O)Cc2ccc(Cl)cc2)nc2ccccc21 102143313 IVGYDTRAFRHYBL-UHFFFAOYSA-N 426.004 5.952 30 10 IKEE Cc1nc(COc2cccc(/C=C\C(=O)Nc3cccc(OCCCC#N)c3)c2)cs1 108295322 PKHOWFGEVUCIQE-KHPPLWFESA-N 433.533 5.365 30 10 IKEE CCCN1C(=S)N[C@@H](c2cccc(OCc3ccccc3Cl)c2)C(C(C)=O)=C1C 169930139 IEKUYQDTLNWXNK-QFIPXVFZSA-N 428.985 5.423 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2cccnc2)c1 170005309 STMXEBHMIKQZSI-QFIPXVFZSA-N 448.906 5.225 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(F)ccc3OC)[C@H]2c2ccccc2)cc1 170052877 XSMKVJFONVSLHV-HSZRJFAPSA-N 447.462 5.016 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2ccccc2C)cc1 170089476 CJYPEPKRHCETRT-NRFANRHFSA-N 448.544 5.250 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1c1cccc(Cl)c1 170106958 ZKBZDZKTOVKMQY-HXUWFJFHSA-N 449.915 6.239 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(OC)c3)=C(O)C(=O)N2c2ccccc2)cc1 170113383 OKRHNHPAQAXSFJ-JOCHJYFZSA-N 449.890 5.140 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccs2)ccc1OC(C)C 170159335 JACZUMPHRBWUET-QFIPXVFZSA-N 433.529 5.627 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccccn2)cc1C 170172048 QUZIHBDCGJXYLT-VWLOTQADSA-N 434.495 5.635 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1cccnc1)c1ccc2c(c1)CCCC2 170191480 JUNGBCUDVKMZQT-QHCPKHFHSA-N 446.453 5.022 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccccc2)c1 170226430 SBQCEARRZUWCTL-QHCPKHFHSA-N 447.918 5.912 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccccc1)c1ccc2c(c1)CCCC2 170226810 CNTZADBGKFVAFL-DEOSSOPVSA-N 443.930 6.002 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccccc2)cc1 170228159 XHUVEPSXXYBLQB-VWLOTQADSA-N 441.527 5.875 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(Cl)c(Cl)c1 170246630 JJAYUPDPEHUBES-NRFANRHFSA-N 440.326 6.135 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1cccc(O)c1)c1ccc(Cl)c(Cl)c1 170259230 NEEJEGZFOGKHGX-FQEVSTJZSA-N 440.282 5.482 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(CC)cc2)c1 170266515 KVOGWWCOKQNDBY-VWLOTQADSA-N 447.575 5.949 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4C)[C@@H]3c3ccco3)oc12 170290260 AYEYPBRAJHPMAC-OAQYLSRUSA-N 429.428 5.126 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H](C)C2(c3ccc(Br)cc3)CC2)c1 170294901 XDLZHRLSYRXIRM-QGZVFWFLSA-N 441.413 6.137 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(O)c(Cl)c2)c1 170366785 QDOZMZPUDJZTFC-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccncc2)=C(O)C(=O)N1c1cccc(C(F)(F)F)c1 170399292 ABYOYFCMHAKALH-HXUWFJFHSA-N 438.405 5.192 30 10 IKEE CC(=O)Oc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)cc(C)c2)cc1 170406730 VNCLOVZAZJEETB-JOCHJYFZSA-N 447.512 5.073 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1)c1ccccc1 170421092 WIKZRNNWLXGFCV-OAQYLSRUSA-N 437.417 5.484 30 10 IKEE 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)C[C@@H](O)C[C@@H]1O 220317388 ODZFJAXAEXQSKL-CLRXVPQNSA-N 428.657 5.727 30 10 IKEE in-vitro N=C(NN=C1C(=O)N(Cc2ccccc2)c2ccccc21)SCc1ccc(Cl)cc1 252625106 QDLCINIVFFODFR-UHFFFAOYSA-N 434.952 5.049 30 10 IKEE C=CCN1C(=O)/C(=C2\Sc3ccccc3N2C)SC1=Nc1cccc2ncccc12 254353442 XHBNXJZTCBXPRU-CVJJEBQVSA-N 430.558 5.395 30 10 IKEE CC1=NN(c2ccccc2)/C(=C/c2ccc(Cl)cc2)C1=Nc1ncc(Cl)cc1Cl 254494629 GMZPGJVFAYPWTJ-NUSWOBFYSA-N 441.749 7.052 30 10 IKEE CCCCCOc1ccc(C(=O)Oc2ccc(C=Nc3ccc(C(C)=O)cc3)cc2)cc1 254513127 ZHBYWPJVGXBQLM-UHFFFAOYSA-N 429.516 6.428 30 10 IKEE CCOc1cccc(-c2n[nH]c(=S)n2N=Cc2ccc(OCc3ccccc3)cc2)c1 254531861 BERAVWHCSNSSSR-UHFFFAOYSA-N 430.533 5.468 30 10 IKEE COc1ccc(CON=C(C)c2cc(-c3ccc(F)cc3)n(-c3ccc(C)cc3)c2C)cc1 254698125 NTUVJUWCMMABBB-UHFFFAOYSA-N 442.534 6.850 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)ccc(Br)c1F 407415970 MYKRGZWCSWVGOW-MAUKXSAKSA-N 447.364 5.628 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(Cl)cccc1Br 407519991 NPHQGRVKHDLYJT-AEFFLSMTSA-N 445.829 6.003 30 10 IKEE CCOc1cc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2ccc(C#N)cc2)ccc1OC 526487926 BILVIQKZMOFKES-JOCHJYFZSA-N 432.501 5.084 30 10 IKEE CC(C)Oc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)c(F)c2)c1 526709256 FBFIEWPOPMRIDU-QHCPKHFHSA-N 449.453 5.535 30 10 IKEE COc1ccc2ccccc2c1/C=N\n1cnnc1SCc1ccc(Cl)c(Cl)c1 526813142 WWZKHKICQDWXAX-GATIEOLUSA-N 443.359 5.921 30 10 IKEE C=CCNC(=O)c1ccc(NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 586686938 LAMNDUPSQDURCP-UHFFFAOYSA-N 431.336 5.284 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]2[C@H]1C(C)(C)[C@@H]2Nc1ccc(C#N)c(Br)c1 693666559 KUXABNOJMCULTM-NXHRZFHOSA-N 434.378 5.157 30 10 IKEE CCCCCCC[C@@](C)(C(N)=O)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 698451331 JWIQXZRLDZADPI-NRFANRHFSA-N 441.410 5.795 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2ccc(Br)c(F)c2)c1 698474339 FCIZOQGGWPKRHD-GOSISDBHSA-N 435.293 5.603 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)CC1 704044616 SSOXIJLFSMIYSA-QHCPKHFHSA-N 449.979 5.765 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@H](C#N)c1cc(F)cc(Br)c1 710779038 TVANPQLIAVMQGU-MRXNPFEDSA-N 425.323 5.652 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)Cc2ccc(Cl)cc2C1 710830555 LXLLIJBWDJOOOB-OAQYLSRUSA-N 447.760 5.905 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CC[C@@H]2COCC[C@@H]2C1 723660609 ATTJTFNDUVHDKR-WHSLLNHNSA-N 435.362 5.290 30 10 IKEE C#Cc1cccc(NC(=S)/C(=C(/O)c2cccc(OC)c2)[n+]2ccc3c(c2)CCCC3)c1 726572801 PCMGWDSPOUVRHD-UHFFFAOYSA-O 441.576 5.166 30 10 IKEE CCOC(=O)Cc1ccc(N=Cc2cc([N+](=O)[O-])ccc2N(CC(C)C)CC(C)C)cc1 1083918203 YMUOBILIZMXZTB-UHFFFAOYSA-N 439.556 5.569 30 10 IKEE Fc1cccc(Cl)c1C=Nc1ccc2nc(SCc3ccc(Cl)cc3)sc2c1 1084403676 UOIKRVRCIVMZCI-UHFFFAOYSA-N 447.387 7.785 30 10 IKEE COc1ccccc1CNN=Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 1084653925 UQLXJVTWUOOFQN-UHFFFAOYSA-N 438.358 6.129 30 10 IKEE CCN1C(=O)/C(=C\c2cccc(OCc3ccc(C)cc3)c2)SC1=Nc1cccnc1 1772731774 QDVCHOORNYNVNU-ZRAGWZJNSA-N 429.545 5.593 30 10 IKEE C=CCOc1ccc(/C=C2/SC(=Nc3nccs3)N(C3CCCCC3)C2=O)cc1 1772733184 IBCRPDRTUOLZAN-VBBMDASPSA-N 425.579 5.645 30 10 IKEE O=C1/C(=C\c2cccc(Cl)c2)SC(=Nc2cccnc2Cl)N1c1ccccc1 1772734717 QQBIAGPMULMEQJ-MRKXPFMVSA-N 426.328 6.197 30 10 IKEE CCCCCCCCc1ccc(CC[C@@]2(CO)CN[C@@H](c3ccc(OC)cc3)O2)cc1 1848434889 YMEALZCJALPJPV-SXOMAYOGSA-N 425.613 5.581 30 10 IKEE CCCCCCCCCCn1cc(O[C@H](CC)C(=O)OCC(C)C)c(=O)cc1C(=O)O 1857891547 WMLATIKIWOIFRA-OAQYLSRUSA-N 437.577 5.044 30 10 IKEE CCSc1ccc(C(=O)Nc2c(C#N)cnn2-c2cc(C)c3cccc(C)c3n2)cc1 1859750391 ZNIFCKOILPBXIK-UHFFFAOYSA-N 427.533 5.273 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 1861032715 VHSYXKWKCKIISA-HSZRJFAPSA-N 439.556 5.323 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc(C)cc2)cc1C 1862401360 ZIXGXVGBYVRJIH-UQJUWTFNSA-N 433.548 5.469 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@@H](C)c2ccccc2)c1 1862413268 YYSXHOWTABTDPE-HJPURHCSSA-N 433.454 5.613 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2[C@H](C)CC)cc1OC 1862439245 JZEITIQRTUTDSB-SZNDQCEHSA-N 443.927 5.124 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(Cl)c(Cl)c1 1862442869 HFKFPPZCZUZGSA-SFHVURJKSA-N 438.738 5.881 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccccc2C)cc1 1862475826 VPAZYWXCLJHZCC-HSZRJFAPSA-N 431.919 5.735 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 1862476134 CMOXBUOAOZNSHC-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862489679 YDBZWCJYMYVHBF-XMMPIXPASA-N 445.490 5.230 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1cccc(O)c1 1862597566 KWFYERWPODCUIA-HXUWFJFHSA-N 446.330 5.610 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(C)cc1 1862625813 OABCHSQHRCJIDW-YKSBVNFPSA-N 449.547 5.661 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862669867 HIHBAJHEPWTWTK-HXUWFJFHSA-N 442.899 5.360 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc(O)c1 1862688418 XDOQEYAAKQIRNT-QHCPKHFHSA-N 437.536 5.340 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@@H]2c2cccc(C)c2)c1 1862699568 VZFBINFCLYGIKT-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc(C(F)(F)F)cc2)c1 1862706256 RSYOGMGYVMHBLF-FQEVSTJZSA-N 447.453 5.338 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 1862724838 VKUGDWPDJSYRSV-DEOSSOPVSA-N 429.491 5.727 30 10 IKEE CCCCc1ccc(NC2=C(c3ccc(C)c(C)c3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862879348 OYRHMQPGGHDOAA-UHFFFAOYSA-N 449.554 5.914 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(OC(C)C)cc3)C2=O)cc1 1862986919 MNEFHVCIDJJYRZ-UHFFFAOYSA-N 437.499 5.051 30 10 IKEE Cc1ccccc1NC1=C(c2ccc(OC(C)C)cc2)C(=O)N(c2cccc(C#N)c2)C1=O 1862989466 ARXGTPJKFCDDFD-UHFFFAOYSA-N 437.499 5.051 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)OC(C)(C)C 1866029625 WRMFTTIZFSTDSL-UHFFFAOYSA-N 426.686 6.889 30 10 IKEE CC[C@@H](C(=O)N[C@H](C(=O)Nc1ccccc1C#N)c1ccccc1)c1ccc(Cl)cc1 1866950500 OUVKHDCPRSCQTO-GGAORHGYSA-N 431.923 5.201 30 10 IKEE COc1ccc2c(c1)C[C@@H](C)CN2c1cc(Nc2cccc(C#N)c2)nc(-c2cccnc2)n1 1868552919 FVRTZSOHEVULDT-GOSISDBHSA-N 448.530 5.493 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3cc(C)ccc3[C@@H]2CC(C)C)nc(C(C)(C)C)n1 1869181022 FCGPVXPLVZUZHH-DEOSSOPVSA-N 432.656 6.411 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N2CCCC2)nn1-c1ccc(Br)cc1 1869971459 IKUJTYSLGRCAEF-UHFFFAOYSA-N 448.409 5.319 30 10 IKEE CCCCCCCOc1cn(Cc2ccncc2)c(CSc2ccc(C)cc2)cc1=O 1870251680 QCSXAWDJVRIVAQ-UHFFFAOYSA-N 436.621 6.242 30 10 IKEE CCCCCCCOc1cn(C[C@@H]2CCCO2)c(CN(C)Cc2ccccc2)cc1=O 1870410767 FEAOTZPSGJCIQX-DEOSSOPVSA-N 426.601 5.009 30 10 IKEE CCCCCCCCn1cc(OCCO)c(=O)cc1CNc1cccc(C(C)(C)C)c1 1870789982 GIFPNXZWXMAOFL-UHFFFAOYSA-N 428.617 5.490 30 10 IKEE C=CCOc1cn(CCCCC)c(CNc2cccc(OCc3ccccc3)c2)cc1=O 1870811120 JUEOKPOOXUHXFG-UHFFFAOYSA-N 432.564 5.794 30 10 IKEE C=CCOc1cn(CCC2=CCCCC2)c(CNc2cccc(Br)c2)cc1=O 1870813364 IMWZEFNUUKIHLY-UHFFFAOYSA-N 443.385 5.678 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(ccc4c3CN([C@@H]3CCCC[C@H]3C)CO4)C2=O)cc1 1871351049 IBLMHGMXZTYJSH-IKJMYFCHSA-N 446.591 5.880 30 10 IKEE Cc1cc(OCCCOc2ccccc2)cc2c1C(=O)/C(=C/c1cn(C)c3ccccc13)O2 1871398446 PPIUPPNLFCDXRF-QQXSKIMKSA-N 439.511 5.951 30 10 IKEE Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2)C3=O)c(C)c1 1871402093 DXGCZBHEKINONA-QCYAWUEASA-N 427.500 5.634 30 10 IKEE COc1ccccc1/C=C1\Oc2c(ccc(OCCOc3ccc(Cl)cc3)c2C)C1=O 1871413021 QIAGKTDMLMVSBC-HAHDFKILSA-N 436.891 5.731 30 10 IKEE COc1ccccc1/C=C1\Oc2c(ccc(OC(c3ccccc3)c3ccccc3)c2C)C1=O 1871430849 HCVYHVQILQOMGB-DIBXZPPDSA-N 448.518 6.788 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4nc5ccccc5s4)ccc3C2=O)cc1 1871442292 JYYZPXMSHXGIBD-MTJSOVHGSA-N 442.496 5.238 30 10 IKEE CCCCCCCCN=c1nc(N(C)Cc2ccccc2)[nH]c(=Nc2ccccc2C)[nH]1 1871480016 KXBUPAJLSMTZJP-UHFFFAOYSA-N 432.616 5.176 30 10 IKEE CCCCCCCCN=c1nc(N(C)CCCC)[nH]c(=Nc2cccc(Cl)c2C)[nH]1 1871492041 TZKWMWLXHLIVAK-UHFFFAOYSA-N 433.044 5.430 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(CCCC)cc1)C(C)C)S(=O)(=O)c1ccc(F)cc1 1871818102 CUTYIMZDWGLFLM-HSZRJFAPSA-N 446.588 5.008 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(Cl)cc1)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1871872969 YJGDLUOGTPKZQR-QFIPXVFZSA-N 449.016 5.187 30 10 IKEE C=CCN([C@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 1872562517 SISZCCVYJBVOLT-VWLOTQADSA-N 448.588 5.169 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(C(=O)OC)cc3)n2)cc1 1872765183 JHIRZWIDAWOBOP-NCSHYYEOSA-N 444.556 5.829 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(Cl)cc3Cl)n2)cc1C 1872765442 OWWJDLZLHFUDJT-OAHLLOKOSA-N 447.343 5.689 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)cc3)n2)c1 1872780215 CHURYCDMBHDIKN-GOSISDBHSA-N 426.925 5.751 30 10 IKEE CCCc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc1 1872781647 XBOCFCRYRRWSPY-NRFANRHFSA-N 434.561 5.643 30 10 IKEE CCc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872787089 ASQGNENNIYETGT-MRXNPFEDSA-N 431.344 5.935 30 10 IKEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)Nc3ccc(Cl)cc3C)cc2[nH]1 1872809159 KCGIZZRYDHUMTG-UHFFFAOYSA-N 447.922 5.921 30 10 IKEE CCCCCCCCN1C(=O)C(NCC(C)C)=C(c2c(Cl)cccc2Cl)C1=O 1873095231 JMRCVGGUMVLQNZ-UHFFFAOYSA-N 425.400 5.679 30 10 IKEE CCCCCCCCCCNC(=O)c1cc2c(N3CCCCCC3)ncnc2n1CC 1873570662 COPDDGJQMRBRLL-UHFFFAOYSA-N 427.637 5.702 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(CC)cc2)cc2c(NCCc3ccc(C)cc3)ncnc21 1873617129 ZOLNANOPHCJROB-UHFFFAOYSA-N 439.563 5.395 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1/N=C/c1cccc(C)c1 1874194854 KRKQCNXLAUFJLZ-ZXVVBBHZSA-N 448.636 6.056 30 10 IKEE O=[N+]([O-])c1ccccc1Cc1nnc(SCc2ccccc2)n1/N=C/c1cccc(F)c1 1874297214 PTGBTLNSCHSMDX-MFKUBSTISA-N 447.495 5.091 30 10 IKEE CCCSc1nnc(CCc2ccc(OC)cc2)n1/N=C/c1cccc2ccccc12 1874307613 GDQKZBNHRXYGRP-NLRVBDNBSA-N 430.577 5.609 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2-c2ccccc2Cl)cc1 1874364700 QLGLGYZHGOGSRL-LGJNPRDNSA-N 440.906 6.051 30 10 IKEE CCCOC(=O)CSc1nnc(CC(C)(C)C)n1/N=C/c1ccc(Cl)c(Cl)c1 1874442055 RBGXDPLAXLICQN-SSDVNMTOSA-N 443.400 5.101 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2C2CCCC2)cc1O 1874455771 KGBFKFQCCMAIHK-AFUMVMLFSA-N 436.581 5.441 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C(C)(C)C)cc1 1874485842 OXHZGOYYEAIFSD-ZVHZXABRSA-N 428.989 5.802 30 10 IKEE CCCOc1ccc(/C=N/n2c(S)nnc2COc2ccc(Cl)cc2Cl)cc1 1874569098 HDIYUVBOFLTMHF-SSDVNMTOSA-N 437.352 5.124 30 10 IKEE O=C(COc1cccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1)NC1CCCCC1 1874596613 UBJZNPRGNQRFPY-FMIVXFBMSA-N 432.347 5.717 30 10 IKEE CCCOC(=O)COc1cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OC 1874598532 QQNCUFZOFVHDRX-CSKARUKUSA-N 440.536 5.364 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cc(C)ccc3C)c(Cl)c2)c1 1874605248 KJNSIBCFEQESPD-PKNBQFBNSA-N 449.934 5.879 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl 1874611039 YTAAADPVSXNZOJ-VZUCSPMQSA-N 444.915 5.172 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1OC(=O)Cc1ccc(F)cc1 1874693763 UXZFUNUHUYPTFW-RIYZIHGNSA-N 444.502 5.757 30 10 IKEE O=C(CCOc1ccccc1)Oc1cccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1 1874703063 XKNHRRLVOLSKCM-FMIVXFBMSA-N 441.310 6.264 30 10 IKEE COc1cccc(CCC(=O)Oc2cc(/C=C/C(=O)c3cc(C)ccc3C)ccc2OC)c1 1874703643 ZMSOMCLHNDTIEE-JLHYYAGUSA-N 444.527 5.755 30 10 IKEE CCc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc4c(c3)OCO4)ccc2OC)cc1 1874707639 PBMFILHKWVPODW-IZZDOVSWSA-N 430.456 5.102 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC(=O)c1ccccc1 1875094215 HKXIOQBMFBSTJB-BUHFOSPRSA-N 443.455 5.447 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OC(=O)C1CCC1 1875105953 UGJWCDBEBGTZNG-DHZHZOJOSA-N 445.342 6.332 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1Cl)c1cccc(Cl)c1 1875113709 UIROAPDGCPGSDY-CSKARUKUSA-N 431.702 6.762 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OC(=O)COCc1ccccc1 1875115127 NQVCWAAEKLMMQT-OQLLNIDSSA-N 446.499 5.112 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)c1ccc(C)cc1 1875122728 JOQVANBWYNTIPV-LFYBBSHMSA-N 441.310 6.426 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)[C@H]1CCCO1 1875126750 VZUWDHPLZGCSFK-CEQQRPIWSA-N 435.303 5.373 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2Cl)cc1 1875128112 NYPVZHYTEHBPMX-RVDMUPIBSA-N 434.919 6.309 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3cccc(C)c3)cc2)cc1 1875129810 UZNMIDKTQYCPMV-WOJGMQOQSA-N 444.527 6.054 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)CCc1ccccc1 1875131434 YIGLDCRQXRBRKP-JLHYYAGUSA-N 448.946 6.400 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)c1cccc(F)c1 1875147617 CATSHEMNAMZFLW-RMKNXTFCSA-N 448.446 5.111 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)c1ccccc1F 1875171874 QWSJXFZWQLWYJT-PKNBQFBNSA-N 434.463 5.575 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 1875182020 IRVKWJGDMAOWLE-FMIVXFBMSA-N 441.310 6.426 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)COCc3ccccc3)c(Cl)c2)c(C)c1 1875183243 QXQNLPYMTHOAJM-PKNBQFBNSA-N 448.946 6.284 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc(Cl)c1OC(=O)C(C)C 1875185280 PNLHEDXKVYCWGD-ZRDIBKRKSA-N 442.983 6.802 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2cc(C)ccc2C)cc1 1875191955 MQLSKEHDSXGLCG-XYOKQWHBSA-N 434.919 6.010 30 10 IKEE CN[C@@H](CC#CC1CC1)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875685169 AEASACZEHNXRRG-WNJJXGMVSA-N 441.571 5.270 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)[C@H](c3ccccc3)C3CCCC3)ccc21 1890605154 BCDVDANHILFVFW-XMMPIXPASA-N 432.564 5.537 30 10 IKEE CC(C)(C)c1cc(CCC(=O)NCC#CCN2CCc3ccccc3C2)cc(C(C)(C)C)c1 1891179170 FHXYOYCZWOUSQU-UHFFFAOYSA-N 444.663 5.392 30 10 IKEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1c2ccccc2nc2ccccc12 1891771460 YFSOVQVLVXHWIR-UHFFFAOYSA-N 434.417 5.219 30 10 IKEE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1(C#N)CCCCCC1 1901535354 SJRUSUZNSFTDAP-DEOSSOPVSA-N 445.563 5.036 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1coc([C@H](C)NC(=O)OC(C)(C)C)n1 1922110265 BGSZRMCJBBFGHE-RXVVDRJESA-N 429.561 5.074 30 10 IKEE CC1(C)CN(C(=O)OC(C)(C)C)C[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 1922771789 NTJDXNKUIBAWPO-DEOSSOPVSA-N 447.551 5.497 30 10 IKEE CCCCCCCCCC[C@@H](N)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1947488133 DOIQOOGZABIQSK-RPWUZVMVSA-N 434.665 6.345 30 10 IKEE C#CCN(CC(C)C)C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)CC 1984779070 OUMMZBHGBQLPQR-FQRUVTKNSA-N 446.591 5.058 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)[C@@H]1CCSC1(C)C 2033644455 AUKJNICKNFBAIV-JKSUJKDBSA-N 425.392 5.614 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)CC12CC2 2037539061 CNKDEGDJMMLICR-XMMPIXPASA-N 445.535 5.393 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1(C)C 2053054737 VPGWIBQLVYQRLM-UPCLLVRISA-N 447.551 5.400 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2073117751 FZGLHDWZPMCVHG-ICSRJNTNSA-N 443.588 5.664 30 10 IKEE C=C[C@]1(Oc2cc(Br)c(Cl)cc2N)CCCN(C(=O)OC(C)(C)C)C1 2078231603 QYSXFVCWGWJNCM-SFHVURJKSA-N 431.758 5.019 30 10 IKEE CC(C)(C)[C@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)F)c(C=NO)c1Cl 2079984808 LIWMTANZIFUNLR-ZDUSSCGKSA-N 427.776 6.076 30 10 IKEE CCOc1ccc([C@H](n2nc(C3CCC3)c(C=NO)c2Br)C(C)(C)C)cc1 2080106055 SNVZOGXVSLTAOE-IBGZPJMESA-N 434.378 5.755 30 10 IKEE C=CCCCCCCCCC[C@@H](NC)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2086263478 HXMAMIZWQPMMFR-RPBOFIJWSA-N 446.676 6.381 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(Cc3ccccc3)CC2(C)C)cc1 2098717028 ZXGITAGUEIPQON-MHZLTWQESA-N 449.595 5.631 30 10 IKEE C=CCN(CC[C@H](NCC)c1ccc(Br)c(Cl)c1F)C(=O)OC(C)(C)C 2099293024 OEOUAEBLGUSFEQ-HNNXBMFYSA-N 449.792 5.705 30 10 IKEE Cc1c(Cl)cc(CN2CCC[C@H](B3OC(C)(C)C(C)(C)O3)C2)cc1Br 2111258820 LPVPWXKPKKHCDR-HNNXBMFYSA-N 428.607 5.469 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2cc(Br)cc(F)c2C#N)CCC1(C)C 2131948064 TZRAGGSUVOCGFL-ZDUSSCGKSA-N 426.330 5.050 30 10 IKEE CC(C)C[C@@H]1CNCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2149840312 DGJBJDQYCYUZDP-IERDGZPVSA-N 436.394 5.109 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](Nc2ccc(C#N)c(Br)c2)CC12CCCCC2 2155308649 YMPFPSJWDSULTQ-QGZVFWFLSA-N 434.378 5.445 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCCC)c2cc(F)ccc2Br)C1 2198483397 QVLLNCYMNCHHAM-GOSISDBHSA-N 441.385 5.490 30 10 IKEE C[C@@H](CC1CCN(c2ccc(Br)cc2C#N)CC1)N(C)C(=O)OC(C)(C)C 2203596385 UKHKPNWMWDUXDY-HNNXBMFYSA-N 436.394 5.183 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(C(=O)OC(C)(C)C)CC23CC3)cc1 2215219864 WIRRTPYHJHJAAQ-XMMPIXPASA-N 427.545 5.030 30 10 IKEE CCCN[C@H](C#Cc1ccc(OC)cc1)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 2221923586 UBEZGLDWODMXDS-XMMPIXPASA-N 436.596 5.242 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Br)cc([C@@H](N)C#Cc2ccc(Cl)cc2)c1 2230998310 CCFPHLCWUFTGRV-SFHVURJKSA-N 435.749 5.501 30 10 IKEE C=C(C(=O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)c1ccccc1 2237418520 NQVSUPQBWSCCDL-LJQANCHMSA-N 430.342 5.167 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@H]1C[C@@H]2C[C@H](C1)CN(C(=O)OC(C)(C)C)C2 2249752654 DQDOZKVDMXVRIA-NAVOZUGXSA-N 428.617 5.021 30 10 IKEE CC(C)(C)OC(=O)NCc1ccc(Nc2ccc(C#N)c(Br)c2)cc1Cl 2266924766 RLMOBURPQSTNPY-UHFFFAOYSA-N 436.737 5.742 30 10 IKEE CC(C)(C)C#CC=CC[C@@H](N)c1cc(I)ccc1Br 2268813468 LJUZBVZTZFLFBU-OAHLLOKOSA-N 432.143 5.049 30 10 IKEE COc1cc(C=C2SC(=Nc3ccccc3)N(c3ccccc3)C2=O)ccc1OC(C)=O 2296736243 LCIYFIZWHQTBJU-UHFFFAOYSA-N 444.512 5.429 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(OCc4cccc(Cl)c4)c3C)C2=O)c2ccccc21 2296872140 WCOWGGOSYCTFAU-UHFFFAOYSA-N 443.930 6.818 30 10 IKEE COc1ccc(C=CC(=O)c2c(O)nc3ccc([N+](=O)[O-])cc3c2-c2ccccc2)cc1 2296932588 CAMUSEPURBNFJG-UHFFFAOYSA-N 426.428 5.420 30 10 IKEE O=C(C=CNc1ccc(Oc2ccc(NC=CC(=O)C(F)(F)F)cc2)cc1)C(F)(F)F 2297317574 WCMMLZJYHFELTI-UHFFFAOYSA-N 444.331 5.593 30 10 IKEE CCCCCCCCCCCOC(=O)CCN1C(=O)C(=Cc2ccccc2)SC1=S 2297456571 HMIYTFZPSNTEIO-UHFFFAOYSA-N 447.666 6.352 30 10 IKEE COc1ccc([C@@H](CNc2oc(C=Cc3ccc(F)cc3)nc2C#N)N2CCCCC2)cc1 2297679776 LCCACSIATSEXFO-XMMPIXPASA-N 446.526 5.503 30 10 IKEE CC[C@H](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 2303929838 GCWMZOCKEPPNDZ-MDOVXXIYSA-N 449.514 5.246 30 10 IKEE C=CCn1c(-c2c(C)oc3ccccc23)csc1=NS(=O)(=O)c1ccc(Cl)cc1 2314397113 UTCJYCWYUISUCC-UHFFFAOYSA-N 444.965 5.400 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2Cl)Oc2cc(OCc3cccc(Cl)c3)ccc21 2314438170 JYUARSDMWUQXFT-UHFFFAOYSA-N 431.702 6.842 30 10 IKEE Oc1ccc2ccccc2c1C=Nn1cnnc1SCc1c(Cl)cccc1Cl 2318572065 ZIITWLHSVUUYLG-UHFFFAOYSA-N 429.332 5.618 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(N(C)C)cc1)O3)CN([C@H]1CCCC[C@H]1C)CO2 2322153260 RUAZZHCHHKOTNP-VGSWGCGISA-N 432.564 5.408 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(Cl)cc2C=CC(=O)c2ccc(F)c(C)c2)cc1 2322634823 RIUUDEQQYPZQRC-UHFFFAOYSA-N 437.898 6.010 30 10 IKEE C[C@@H](NC(=O)COc1ccccc1C=CC(=O)c1cccc2ccccc12)c1ccccc1 2322712016 WCFKUVHSJZAESJ-OAQYLSRUSA-N 435.523 5.992 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OCc3ccccc3C)c2)cc1OCCC 2323118173 ZRLWRRCCBRURPN-UHFFFAOYSA-N 444.571 7.048 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1cccc(C=CC(=O)c2ccc(C(C)C)cc2)c1 2323211499 IRGUVNZPGDHYQU-UHFFFAOYSA-N 427.544 6.340 30 10 IKEE Cc1cc(OC(=O)c2cccc([N+](=O)[O-])c2C)cc2c1C(=O)C(=Cc1ccc(Cl)cc1)O2 2323260681 MWJCGJPGGRYPGF-UHFFFAOYSA-N 449.846 5.700 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)c(OC)c1 2323283126 QXQJWLPBCYBIKD-UHFFFAOYSA-N 449.459 5.096 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCc3c(F)cccc3Cl)c2)c2ccccc12 2323331414 DLJSLANENIPELB-UHFFFAOYSA-N 446.905 7.116 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OC(=O)C(Cl)=Cc4ccccc4)c3C)C2=O)c1 2323441380 HXQQAZUWWNJYCI-UHFFFAOYSA-N 446.886 5.805 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)cc([N+](=O)[O-])c1OCc1ccccc1 2323476260 DSZGIYGORPMOFJ-UHFFFAOYSA-N 431.488 6.031 30 10 IKEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccccc3Cl)cc2[N+](=O)[O-])o1 2323606867 IFZVZXFTEBEBKS-UHFFFAOYSA-N 441.823 5.103 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Cl)c1OCc1cccc(Cl)c1 2323756281 FYKDDLYAUIFXIJ-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE CN(Cc1c(O)ccc2c1OC(=Cc1ccccc1Br)C2=O)C1CCCCC1 2324074410 BRBNYUXNLHMCPB-UHFFFAOYSA-N 442.353 5.535 30 10 IKEE Cc1cc(O)c(CN2CCc3ccccc3C2)c2c1C(=O)C(=Cc1ccc(C(C)C)cc1)O2 2324115690 OJSJKUWVXPKCPW-UHFFFAOYSA-N 439.555 5.999 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1Cl)Nc1ccccc1F 2324184206 GKSVVBJMCAUZDC-UHFFFAOYSA-N 427.834 5.532 30 10 IKEE COc1cccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(Cl)c(Cl)c3)n2)c1 2324383511 SVZZYSMFPDLWML-INIZCTEOSA-N 429.328 6.015 30 10 IKEE C=CCOc1c(OCC)cc(C=CC(=O)c2cc(Cl)c(OC)cc2OC)cc1[N+](=O)[O-] 2324428628 AJWUFIGWXGVDEW-UHFFFAOYSA-N 447.871 5.125 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2sccc2C)C3=O)c1 2324455682 FRHQCADTOYKSNP-QGZVFWFLSA-N 433.529 5.696 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2sccc2C)C3=O)c(C)c1 2324494968 HNRLJSUYGVVAKI-GOSISDBHSA-N 447.556 6.004 30 10 IKEE CCOC(COc1cc(C)c2c(c1)OC(=Cc1cccc(Br)c1)C2=O)OCC 2324741462 FMCIZGCGXAQMBO-UHFFFAOYSA-N 447.325 5.152 30 10 IKEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1c(F)cccc1Cl 2325513893 QLKKQLQUGUETFE-UHFFFAOYSA-N 447.923 5.496 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(OCC)c(OC)c1 2325558883 BYTRDFSXMIUTIP-UHFFFAOYSA-N 444.988 5.466 30 10 IKEE COc1ccc(CCOc2cc(C)c3c(c2)OC(=Cc2cccc(OC)c2OC)C3=O)cc1 2325631461 XSDKGLLSWXOHAF-UHFFFAOYSA-N 446.499 5.259 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3c(C)cccc3C)c2)cc1OC 2325703973 JZKCUAYCXVIPFN-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE COc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)c1ccc(Cl)cc1 2325721225 MLKKYKGEOCWSAI-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OC(=O)c1ccccc1[N+](=O)[O-] 2325735691 CNPLRTCBASRWBG-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1OC(=O)COc1c(C)cccc1C 2325751066 FIMNJOONYMBGOY-UHFFFAOYSA-N 434.463 5.332 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3cccc(C)c3)n2N=Cc2ccccc2)cc1 2328564629 NNFHUYXDYLFUCO-UHFFFAOYSA-N 442.588 5.751 30 10 IKEE CCSc1nnc(COc2cccc(C)c2C)n1N=Cc1ccc(C(F)(F)F)cc1 2328841367 XZPHOCNTACMTJJ-UHFFFAOYSA-N 434.487 5.487 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1cccs1 2329077071 SUAOGSJZBDOXRU-UHFFFAOYSA-N 439.009 6.067 30 10 IKEE Fc1ccc(C=Nn2c(CCOc3ccccc3)nnc2SCc2ccccc2)cc1 2329190006 WBOBPOJCYBQTEQ-UHFFFAOYSA-N 432.524 5.213 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2ccccc2O)cc1C 2329430357 RJXNSDZCEZHAHE-UHFFFAOYSA-N 442.588 5.408 30 10 IKEE C=CCSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1ccc(OCC)c(OC)c1 2329437895 SAPVWTHUALSJJC-UHFFFAOYSA-N 436.581 5.053 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccccc1O 2330129400 LEKFIFZRXJKNQN-KRWDZBQOSA-N 448.979 5.963 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(OC)c2)cc(OC)c1OC(=O)Cc1ccccc1 2330798720 LPVPVHVVAKGWMP-UHFFFAOYSA-N 442.511 5.477 30 10 IKEE Cc1cccc(CSc2nnc(CC(C)(C)C)n2N=Cc2cc(Cl)ccc2O)c1 2330822252 MWYKQTWHSQSYIJ-UHFFFAOYSA-N 428.989 5.709 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)cc3F)cc2)cc1 2330824493 ZWWVSYNFPILALJ-UHFFFAOYSA-N 434.482 6.352 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3)c(OC)c2)cc1 2330846549 GCQZNFMZHASRIR-UHFFFAOYSA-N 432.491 6.292 30 10 IKEE CCc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2[C@H]2CCCO2)cc1 2330994072 PXXHHXMRLSZYLK-HXUWFJFHSA-N 426.973 5.520 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)c1cccc(C)c1 2331104240 URXAARHBDDLTMP-UHFFFAOYSA-N 448.465 6.126 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(OC)cc1 2331130030 FIAZTWASMLOICB-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCc3ccccc3Cl)nnc2C(F)(F)F)c1 2331141277 ICYZQFFCNOIUAA-UHFFFAOYSA-N 426.851 5.139 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c(Cl)c2)c(C)c1 2331224323 KUAUJQSSWDUUSB-UHFFFAOYSA-N 435.863 5.980 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)CCc1ccccc1 2331256761 YIGNMBAETGTKIL-UHFFFAOYSA-N 434.919 6.091 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)cc2)c1 2331318536 WLSNPTZWTSBYHC-DNQXCXABSA-N 430.931 6.562 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)CCCSC 2331329847 NDCGWLKEOKHNAG-UHFFFAOYSA-N 438.589 5.985 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CCC2)c1O 2331527611 KMFARHJILIBPBH-UHFFFAOYSA-N 428.945 5.088 30 10 IKEE O=C(C#C[C@@H]1CC1(F)F)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2341017897 GWGNOFCHEFZTPL-ATIYNZHBSA-N 448.465 5.106 30 10 IKEE CO[C@H](C#CC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Br)C1CCCC1 2369584297 BIQWHQYECITJPU-LJQANCHMSA-N 436.346 5.187 30 10 IKEE COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C/c2ccc(C(C)(C)C)cc2)C3=O)c1 2428594 RGXDPWPMEUFKPN-ZVHZXABRSA-N 428.484 5.828 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(-c3ccccc3)c1[C@H]2c1cccc(Br)c1 9152906 XKEPVSNMDWHMTM-IBGZPJMESA-N 448.364 6.040 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1sccc1C)N2 14455890 KXWPJCHNTNUVFP-CNNODRBYSA-N 426.607 5.246 30 10 IKEE N#Cc1ccc(Cn2c(=O)c3ccccc3n3c(=S)sc(-c4ccc(F)cc4)c23)cc1 20378450 NWJIEEKYMLAQBA-UHFFFAOYSA-N 443.528 5.771 30 10 IKEE CCc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(F)ccc2F)cc1 21223100 IZFAWUQJQBFAFF-XRHLQHRESA-N 430.498 6.507 30 10 IKEE O=C1c2ccccc2C(=O)c2c1ccc1c2C(=O)/C(=C2/C(=O)c3cccc4cccc2c34)S1 33397633 HVUVNUIHNRKCDW-SLMZUGIISA-N 444.467 5.511 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccc(OCCC)c1 40097551 LATGDOYEKLPJDH-QHCPKHFHSA-N 433.504 5.600 30 10 IKEE COc1cccc2cc(C(=O)Oc3cc(C)c4c(c3)O/C(=C\c3ccccc3F)C4=O)oc12 41354009 NZZISFPLAVDNDF-NHDPSOOVSA-N 444.414 5.724 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(Cc1ccccc1)C3 41646456 XSJAKDWITBLTOL-OYKKKHCWSA-N 427.500 5.362 30 10 IKEE COc1ccccc1CN1COc2ccc3c(c2C1)O/C(=C\C=C\c1ccccc1)C3=O 41660565 HGIRXZFMANDTMK-HWFVTPCDSA-N 425.484 5.220 30 10 IKEE Cn1c2ccc(Br)cc2c2nnc(N/N=C/c3ccc(C(C)(C)C)cc3)nc21 64981301 CELGPJTXLWIXNZ-FSJBWODESA-N 437.345 5.023 30 10 IKEE O=C(O)c1ccc(N/C(=N\Cc2ccc(F)cc2)NCCC23CC4CC(CC(C4)C2)C3)cc1 65304889 OEMOYPFMFSUUHB-UHFFFAOYSA-N 449.570 5.688 30 10 IKEE CCCCCCCCCCCC[n+]1c2ccc(N(C)C)cc2cc2c(N(C)C)cccc21 95713259 FXMWUDYENSJDDH-UHFFFAOYSA-N 434.692 7.333 30 10 IKEE C#CCOc1c(Cl)cc(/C=C2/S/C(=N\c3ccc(C)c(C)c3)NC2=O)cc1OCC 96840774 JLJBDKOIWVARKS-DEDYPNTBSA-N 440.952 5.259 30 10 IKEE CCCCCCCC(=O)NC(=S)Nc1cccc(NC(=O)CCc2ccccc2)c1 100308210 CTHBTTZKQWELQQ-UHFFFAOYSA-N 425.598 5.431 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1ccccc1C(=O)NCC 100443835 KFLIDAHWAQPHMO-UHFFFAOYSA-N 433.662 5.950 30 10 IKEE CCCCCCCCCCCCCCCCCC(CC)(CC)NC(=O)CN(CC)CC 103612608 LWJZTBNWUAFDEV-UHFFFAOYSA-N 438.785 8.265 30 10 IKEE Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N[C@H](C#N)c1ccc(F)cc1F 111029622 NDBNVQYYVQBMSD-MRXNPFEDSA-N 437.393 5.410 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccc(OC)cc2)cc1 169925825 YHAGCWTTXOBVFX-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCN1C(=S)N[C@@H](c2ccc(OCc3ccccc3)c(Cl)c2)C2=C1CCCC2=O 169932929 OPLCZWPUZSKZLO-QFIPXVFZSA-N 426.969 5.177 30 10 IKEE CCN1C(=S)N[C@H](c2ccc(OCc3c(F)cccc3Cl)cc2)C(C(C)=O)=C1C 169933171 ZUUOZITXXNQHTJ-OAQYLSRUSA-N 432.948 5.172 30 10 IKEE COc1ccc(/C=N\Nc2nc(-c3cccs3)c(C)s2)c(Br)c1OC 169941676 LTKIHIWERTVPSO-OCKHKDLRSA-N 438.372 5.406 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1cccs1)c1c[nH]c2ccccc12 169989332 IRRCNJHEDYAXPN-JOCHJYFZSA-N 446.503 5.190 30 10 IKEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccccn1)c1cccc(Cl)c1 169998989 COFTZRYHJQKBHE-LJQANCHMSA-N 447.903 5.128 30 10 IKEE Cn1cc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2ccccc2)c2ccccc21 170083777 VIIGDTZBPVKBMB-RUZDIDTESA-N 447.494 5.443 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cn(C)c3ccccc23)ccc1F 170085760 JYBHPXROTCJRPD-HSZRJFAPSA-N 432.495 5.147 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC)c3)[C@@H]2c2ccco2)c1 170089583 KVPOXZIYVDDOGA-QHCPKHFHSA-N 447.487 5.250 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2Cc2cccs2)c1 170139118 ZHVVYSRWZAMFAX-DEOSSOPVSA-N 439.536 5.988 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1cccc(C)c1 170147623 XRNMWSVHFOEBPP-QFIPXVFZSA-N 433.504 5.518 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccncc2)c1 170200453 SXSKBYXYFTVYJR-XMMPIXPASA-N 442.515 5.269 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccccc2)c1 170221330 JFDDNXCMULIKMG-DEOSSOPVSA-N 443.499 5.265 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccc(F)cc1)c1ccc2c(c1)CCCC2 170238216 IEASTAMQEAQLNL-DEOSSOPVSA-N 445.465 5.627 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1ccc(C(C)C)cc1 170245680 MLWWBJFZFJSGAF-JOCHJYFZSA-N 437.923 6.198 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccccc1F)c1ccc2c(c1)CCCC2 170246845 DKFDWSSWRRKXMQ-QHCPKHFHSA-N 447.531 5.545 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc(O)c2)cc1 170261892 LTMYTKCKHIIJNP-HSZRJFAPSA-N 435.520 5.090 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccco2)cc1C(C)C 170289730 OVONIVKFHGQUGL-HSZRJFAPSA-N 442.471 5.066 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1ccco1)c1ccc2c(c1)CCCC2 170296708 LAZSJKCCBOZRHH-DEOSSOPVSA-N 445.490 5.119 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1sccc1C 170313643 UEJIQDUJXBICPH-HXUWFJFHSA-N 437.492 5.296 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)c(C)c2)[C@@H]1c1sccc1C 170318811 GYVIQBOUXXBVDE-HXUWFJFHSA-N 427.566 5.532 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1ccc(Cl)c(Cl)c1 170397513 VNPHBEBCBGMWHB-NRFANRHFSA-N 438.310 6.085 30 10 IKEE O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(F)c(Cl)c1 170401672 QXNQYXLKLMAPBE-UHFFFAOYSA-N 428.691 5.094 30 10 IKEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 170471412 VHTSGXLMGWLQHY-VWLOTQADSA-N 449.591 5.894 30 10 IKEE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC(=NO)[C@H]4CC(=NO)CC[C@]4(C)[C@@H]3CC[C@]12C 254287175 MXIKNOBYVNLDDR-KMKDBZSOSA-N 430.677 7.378 30 10 IKEE CCCCCCCCCCCCS(=O)(=O)Nc1ccccc1C(=NO)c1ccccc1 254794106 BMSHMTIZGLXLTA-UHFFFAOYSA-N 444.641 6.576 30 10 IKEE CCCCN=c1scc(-c2ccc(Br)s2)n1N=Cc1ccc(C#N)cc1 254817502 YMKLTRVBKMWHLI-UHFFFAOYSA-N 445.411 5.495 30 10 IKEE COc1ccc2cc(C=NNc3ncnc4scc(-c5ccccc5)c34)c(O)nc2c1 254852714 LSIUAXAWVZWLGJ-UHFFFAOYSA-N 427.489 5.067 30 10 IKEE Cc1ccc(I)cc1Nc1ccc(C#N)c(Br)c1F 311598686 ZMKQFYVNQKTNSS-UHFFFAOYSA-N 431.046 5.117 30 10 IKEE COc1cccc(/C=N/C[C@]2(O)CC[C@@H]3[C@H]4CC[C@@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]32C)c1O 504255764 PFLCXOYUUHWAGR-MXCGBLKASA-N 439.640 5.984 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(OC)cc2)c1 526516202 OISLWWVXBTXSOW-VWLOTQADSA-N 440.499 5.413 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccc(F)c2)c1 526516317 MLEHTXDCRRGPDR-RUZDIDTESA-N 442.490 5.933 30 10 IKEE Cc1c([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)c2ccccc2n1C 526522842 TUCBWFOVFFDXJS-RUZDIDTESA-N 437.474 5.555 30 10 IKEE CC(C)(C)c1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2ccc(Cl)cc2)cc1 586252104 SBQWFZMLKHLGBU-UHFFFAOYSA-N 438.980 5.905 30 10 IKEE C=CCNC(=O)Nc1cccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1 586621905 LNARMFMIOHOLOW-UHFFFAOYSA-N 442.544 5.832 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1ccc(F)c(C#N)c1 698444175 LVKAKXKEQZGPOJ-GOSISDBHSA-N 430.277 5.466 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)CN(C(=O)OC(C)(C)C)C(C)(C)C)c1 698470196 IODBWCWGTMIQBW-IBGZPJMESA-N 431.577 5.664 30 10 IKEE CC(C)(C)OC(=O)N(C[C@H]1CCCO1)[C@H](C#N)c1ccc(Cl)c(Br)c1 698472080 PXVGKRPVFKVXJL-CZUORRHYSA-N 429.742 5.083 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2ccc(Br)cc2F)c1 698479588 XCNPHVOSHDMFCT-SFHVURJKSA-N 435.293 5.603 30 10 IKEE CCC[C@@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Br)c2)CC1 698496828 KKLTUZTXCGWOKT-VGSWGCGISA-N 435.406 6.833 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@@]1(C#N)CCc2c(Br)cccc21 698832133 PUYRAKAUIKTYGF-OAQYLSRUSA-N 447.760 6.209 30 10 IKEE Cc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)c(C)c1Br 719633835 OHLRRSBJYVDHFR-SFHVURJKSA-N 433.321 6.211 30 10 IKEE COC(=O)c1cccc(-c2ccc(/C=C3\SC(=Nc4ccc(F)cc4)NC3=O)o2)c1C 1084480609 ZXEFWOSGAUOWFX-NDENLUEZSA-N 436.464 5.072 30 10 IKEE C=CCOc1ccccc1/C=C1\SC(=Nc2nccs2)N(C2CCCCC2)C1=O 1772732831 DIDSIXXXECXMRC-XUAJVFRHSA-N 425.579 5.645 30 10 IKEE C/C(=C1/SC(=Nc2cccnc2Cl)N(C2CCCCC2)C1=O)c1ccc(C)c(C)c1 1772733187 KZHJXVPOCUYJCN-FODUTYMCSA-N 440.012 6.679 30 10 IKEE CCCCCCCCCCn1c(C)cc(OCc2ccc(C(=O)OCC)cc2)cc1=O 1860784776 FNHWPACGAKCRNU-UHFFFAOYSA-N 427.585 6.053 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)[C@@H](C)Oc1ccccc1C(C)C 1861653077 LACOXDNZWHBRGY-ISKFKSNPSA-N 446.676 6.119 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)Cc1ccc(OC)cc1)c1ccccc1 1861847550 JTFBICYNKGWFLM-SANMLTNESA-N 438.612 5.352 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)cc1 1862402210 SYZODWPYQXDULZ-QVJSAIJNSA-N 449.547 5.169 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(F)cc1 1862413894 NBUOFSMBSSHTFH-JOCHJYFZSA-N 445.481 6.043 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(Br)c1 1862452907 MXTIEPUXVYUULC-XIKOKIGWSA-N 448.744 5.479 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2[C@H](C)CC)cc1OC 1862453040 QJYFSTLFTMGQMJ-SPLOXXLWSA-N 443.927 5.124 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCc2ccc(F)cc2)cc1 1862474765 UOAJOVKFHHAYPA-VWLOTQADSA-N 443.518 5.518 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cc(Cl)cc(Cl)c2)cc1 1862481455 ALAQOMVGIULLSH-OAQYLSRUSA-N 444.358 6.213 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccc(C)cc2)cc1 1862486727 KEQDEZHOXOOKCQ-VWLOTQADSA-N 441.527 5.399 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccc(O)c(O)c2)c1 1862489235 SKZCZOVVSRQPAH-XDHUDOTRSA-N 443.499 5.054 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 1862520293 DWSRITRHRSOEAM-HXUWFJFHSA-N 447.453 5.483 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccc(F)cc2)cc1 1862529788 JZSYYXIICMCWFL-XMMPIXPASA-N 433.523 5.857 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2cccc(C)c2)cc1 1862533371 LYJHGEZIKTUGHN-RUZDIDTESA-N 425.528 5.644 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2cccc(Cl)c2)cc1 1862536382 XBQLSECDQGIRCC-DEOSSOPVSA-N 445.946 5.989 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccc(Cl)cc2)c1 1862557564 NIGWZFMOGGAFFH-JOCHJYFZSA-N 436.939 5.391 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862560945 KDEGTABHCHPLED-XMMPIXPASA-N 446.591 5.867 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862562838 OSHHEFBKYPYOGI-IBGZPJMESA-N 433.335 5.200 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1cc(Cl)cc(Cl)c1 1862563103 VPKLTELVTOHJCT-HXUWFJFHSA-N 447.362 5.734 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1C(=O)O 1862582424 DIGWVLWCFQOXQG-ADLMAVQZSA-N 448.302 5.068 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccc(O)c2)cc1 1862614097 XRALXFXBPPGWQF-QFIPXVFZSA-N 447.556 5.530 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C2CCCC2)cc1 1862631482 PWRKCSRLJMNSGX-QHCPKHFHSA-N 447.531 5.234 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(C(=O)O)cc1 1862664192 GIGPMBWWDHGOMM-JOCHJYFZSA-N 435.520 5.133 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(N(C)C)cc2)cc1 1862664225 GUSRTDUWOLUGMR-XMMPIXPASA-N 432.564 5.397 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 1862668131 RFBJIGYPRNJNJW-HXUWFJFHSA-N 430.331 5.858 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1cccc2ccccc12)c1ccc(F)cc1 1862678135 ONWQDRYRGMZNFG-VWLOTQADSA-N 443.518 6.280 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2cccc(Cl)c2)cc1 1862689526 SNPKWQIOTWQJCW-RBQRDFNRSA-N 439.939 5.506 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCC(C)C)=C(c2ccccc2[N+](=O)[O-])C1=O 1863593656 JRKHDMTVAOLTBM-UHFFFAOYSA-N 443.588 5.451 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(OC)cc1C(=O)O 1866029899 NVEACCYPJPSKFO-UHFFFAOYSA-N 433.633 7.593 30 10 IKEE Cc1ccc(C(C)(C)CCC(=O)N[C@H](C(=O)Nc2ccc(C#N)cc2)c2ccccc2)cc1 1866794923 OEUWTBYXESRRQK-SANMLTNESA-N 439.559 5.421 30 10 IKEE CCCCc1ccc(-n2nnc(C#N)c2NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 1870140896 PFKQSRBLDPBTOV-SFQUDFHCSA-N 427.552 5.431 30 10 IKEE CCCCCCCCn1cc(OCC(=O)Nc2ccc(C)cc2)c(=O)cc1CSCC 1870199253 WXBJANLKURPZRP-UHFFFAOYSA-N 444.641 5.788 30 10 IKEE CCn1cc(OCc2c(C)cccc2C)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870278967 YXZXOCYXTNFEIG-UHFFFAOYSA-N 447.604 5.548 30 10 IKEE CCCCCCCOc1cn(CCCN(CC)CC)c(CN(CCC)CCC)cc1=O 1870411662 JAMLXLODOROVDF-UHFFFAOYSA-N 435.697 5.551 30 10 IKEE C=CCOc1cn(CCC)c(CNc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1=O 1870808120 LXYDATXKVHYBNE-UHFFFAOYSA-N 445.588 6.020 30 10 IKEE C=CCOc1cn(C[C@@H](O)c2ccc(Cl)cc2)c(CNc2ccc(Cl)cc2)cc1=O 1870812825 KSDOTELSKSIAMG-JOCHJYFZSA-N 445.346 5.066 30 10 IKEE CCCCCCCOc1cn(CCCOCC)c(CNc2ccc(C)c(Cl)c2)cc1=O 1870830699 WTWWDIXZLBILDU-UHFFFAOYSA-N 449.035 6.198 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2)c(=O)cc1CNc1ccc(F)cc1 1870898301 MNUGIGDMIHLNSR-UHFFFAOYSA-N 436.571 6.539 30 10 IKEE CCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(Cl)c(Cl)c1 1871251711 SJLYFUCTQPUVFM-UHFFFAOYSA-N 442.346 5.628 30 10 IKEE CCCCCCCCCCN1COc2ccc3c(c2C1)O/C(=C\C=C\c1ccccc1)C3=O 1871349515 VDNOLMVMDSHABC-YFVWSXJHSA-N 445.603 7.152 30 10 IKEE CCCCN(CC)Cc1c(O)ccc2c1O/C(=C\c1ccc(Br)cc1)C2=O 1871395842 VOSGYCABAMVUDD-MOSHPQCFSA-N 430.342 5.393 30 10 IKEE COC(=O)c1ccc(/C=C2\Oc3c(ccc(OCCOc4ccc(C)cc4)c3C)C2=O)cc1 1871404617 ALCYPFXVKMODOT-JLPGSUDCSA-N 444.483 5.164 30 10 IKEE Cc1ccc(OCCOc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2Cl)C3=O)cc1 1871405958 OIMRLKXGRQJFTC-FMCGGJTJSA-N 441.310 6.376 30 10 IKEE Cc1ccc(OCCCOc2ccc3c(c2C)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1 1871406559 RFBLNWKSJCJOJH-IMRQLAEWSA-N 442.555 6.891 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2)C3=O)c(Cl)c1 1871435882 FSBOCVBDLYALHD-UUYOSTAYSA-N 433.891 5.591 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccc(Cl)cc3F)ccc2C1=O 1871447613 ZNBNMPBZAYMUIS-YVNNLAQVSA-N 437.854 5.421 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1cccs1 1872226158 UWYWOXLNCAKWNH-GOSISDBHSA-N 441.018 5.022 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1ccccc1 1872297639 JFCJWAFFULHJJL-QFIPXVFZSA-N 449.016 5.269 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(OC(C)C)cc3)n2)cc1 1872762903 ZFHOQGFTSMHRQD-QHCPKHFHSA-N 432.589 6.359 30 10 IKEE N#C[C@H](C(=O)Cc1cccc2ccccc12)c1nc(-c2ccc(Br)cc2)cs1 1872764994 DJILRBTXKXVBKK-HXUWFJFHSA-N 447.357 6.145 30 10 IKEE CCc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872770380 RKOJXXFTCAZNHV-HNNXBMFYSA-N 431.344 5.935 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)COc3c(C)ccc(C)c3C)n2)cc1 1872770422 SXSVXKJIWHCIRA-NRFANRHFSA-N 434.561 5.779 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3c(C)cccc3C)n2)cc1F 1872775769 ZHIWFWDYXPDKPG-GOSISDBHSA-N 438.524 5.610 30 10 IKEE CCOc1ccc(CC(=O)[C@H](C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1 1872777913 ZEIHGTAWSQQXSU-NRFANRHFSA-N 448.588 5.934 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@H](C#N)C(=O)c2ccc(OCC(C)C)cc2)n1 1872780394 HJHIRLNBBUBTIL-OAQYLSRUSA-N 434.561 5.960 30 10 IKEE CCCOc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc1 1872780408 HQCUQIGAOMTYEP-OAQYLSRUSA-N 434.561 5.643 30 10 IKEE Cc1cc(C)c(-c2csc([C@H](C#N)C(=O)COc3ccc(Cl)cc3Cl)n2)c(C)c1 1872786641 OVTGPLFDYCVGOM-MRXNPFEDSA-N 445.371 6.297 30 10 IKEE C=CCN1C(=O)C(Nc2cc(C)ccc2OC(C)C)=C(c2cccc3ccccc23)C1=O 1873183723 QLPSSARMRYNEOO-UHFFFAOYSA-N 426.516 5.313 30 10 IKEE CCCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccccc1 1874194071 WLRBYWPFZBGLSM-PCLIKHOPSA-N 443.016 5.944 30 10 IKEE COc1ccccc1OCc1nnc(SCc2ccccc2)n1/N=C/c1cccs1 1874288635 MVTDCVWXOWPZGT-OEAKJJBVSA-N 436.562 5.102 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2Cl)cc1 1874349685 YKDNGMWCUZFNMX-WGOQTCKBSA-N 448.979 5.705 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc[nH]1 1874362581 LVVVPPDRDNNINI-CVKSISIWSA-N 435.984 5.528 30 10 IKEE Oc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2-c2ccccc2Cl)cc1 1874365433 BPYYTDLXVLSYHV-PCLIKHOPSA-N 434.952 5.521 30 10 IKEE COc1ccccc1/C=N/n1c(CCc2cccs2)nnc1SCc1cccc(C)c1 1874370449 ZVRRKCXCHQBCIG-PCLIKHOPSA-N 448.617 5.616 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2cccc(F)c2)nnc1[C@H](C)c1ccccc1 1874393016 AUOLYHBGUQMAKO-BWJYWGHISA-N 430.552 6.052 30 10 IKEE Clc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C/c2ccncc2)cc1 1874404608 HAKNNMFGZLYYLP-WGOQTCKBSA-N 433.968 5.286 30 10 IKEE Fc1ccccc1/C=N/n1c(CC2CCCCC2)nnc1SCc1ccccc1Cl 1874408215 LRDNEDILGKBNAM-CVKSISIWSA-N 442.991 6.368 30 10 IKEE CN(C)c1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccccc2)cc1 1874408303 PTNVUGYTNNWEJJ-NLRVBDNBSA-N 433.625 5.641 30 10 IKEE CCOc1cc(/C=N/n2c(SCc3ccccc3F)nnc2C2CCCC2)ccc1O 1874455601 ANWFVEYQRZGSGH-AFUMVMLFSA-N 440.544 5.354 30 10 IKEE Cc1ccsc1/C=N/n1c(SCC(=O)Nc2cccc(C)c2C)nnc1C(C)(C)C 1874483362 RQBNYZYGKUIRSP-FSJBWODESA-N 441.626 5.175 30 10 IKEE CC(C)Cc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc2c(c1)OCCO2 1874489998 UYVIDTMVVAWCMM-ZMOGYAJESA-N 442.972 5.076 30 10 IKEE Cc1ccc(CSc2nnc(C3CC3)n2/N=C/c2ccc(Br)cc2)cc1 1874516494 AHBGBTPSPBBIJD-WSDLNYQXSA-N 427.371 5.401 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1cccc(Cl)c1 1874516878 GKYTYGMSMIBRJB-AUEPDCJTSA-N 439.799 6.536 30 10 IKEE CCCOc1ccccc1/C=N/n1c(CC)nnc1SCc1ccc(Cl)c(Cl)c1 1874528187 WJUBWFVKNBTAJT-ZMOGYAJESA-N 449.407 6.111 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)N(CC)CC)cc1 1874574020 QNCCLESUYUBWIE-FYWRMAATSA-N 427.972 5.826 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1 1874597003 OUHNRRZNXFBNOY-RIYZIHGNSA-N 439.382 7.766 30 10 IKEE COC(=O)COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1Br 1874606103 VYPOTWQVAZVZDE-QHHAFSJGSA-N 444.108 5.204 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OCc2ccccc2F)c(Br)c1 1874611167 FASDLZHWZMIMQD-ZRDIBKRKSA-N 441.296 6.072 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1OCc1cc(C)ccc1C 1874616867 XOYDWRWLIASJIV-JLHYYAGUSA-N 445.515 6.394 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCCc3ccccc3)c(Cl)c2)cc1C(C)C 1874627589 VYPASQWGFVFQBQ-ZRDIBKRKSA-N 448.990 7.298 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c(OCC)c1 1874632185 OYYVFCSSPXHVMQ-CXUHLZMHSA-N 436.935 6.613 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)CC34CC5CC(CC(C5)C3)C4)c2)cc1 1874701198 GQCXSBVQZFZXMT-IZZDOVSWSA-N 444.571 6.493 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2cccc(OC(=O)c3cccc(C)c3)c2)cc1Cl 1874713810 OQOYGUHNUMIGBJ-ZHACJKMWSA-N 436.891 5.781 30 10 IKEE CCCCC(=O)Oc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)c(Br)cc1OC 1874713844 QRYXKDBYXBJQKS-ZHACJKMWSA-N 445.353 6.066 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3sccc3C)c2)c(OC)c1 1874714058 BVAZQULHVKDHSA-WEVVVXLNSA-N 438.501 5.198 30 10 IKEE O=C(COc1cc(F)ccc1F)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1 1875097011 QICXTVFTQPPULB-VGOFMYFVSA-N 448.465 5.724 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3ccccc3)c(Cl)c2)cc1 1875100046 LGKUFPJQJMAYCC-FOWTUZBSSA-N 448.946 6.563 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1Cl)c1ccccc1F 1875104613 GCGVXWOPHLMUBO-WEVVVXLNSA-N 449.692 6.901 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Br)c1OC(=O)c1ccco1 1875128241 AEMOEGYOSTTXLI-ZHACJKMWSA-N 441.277 5.556 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Br)c1OC(=O)C(C)(C)C 1875136713 IEOQMURTGKOITR-DHZHZOJOSA-N 431.326 5.614 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccccc2C)cc1 1875161418 OJPNWXJVLUGJFS-FOWTUZBSSA-N 428.528 6.416 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1OCC 1875167184 SUMAWXNVWRJPBV-ZRDIBKRKSA-N 444.955 6.356 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OC(=O)CC(C)C)c([N+](=O)[O-])c1 1875180005 CMPODBAVYMSMBH-FNORWQNLSA-N 431.872 5.413 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3c(C)cc(C)cc3C)cc2)cc1 1875182518 HJLVZILAJYVUHG-OQLLNIDSSA-N 428.528 6.055 30 10 IKEE CC1(C)OB([C@@]23C[C@H]2CCN(Cc2cc(Cl)ccc2Br)C3)OC1(C)C 1879794453 LWXXCKBHGCILGF-AUUYWEPGSA-N 426.591 5.161 30 10 IKEE C=CCn1c(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C(=O)O)sc1=S 1887597052 LXISCEXVADZSAA-UHFFFAOYSA-N 438.530 5.524 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@H]1c2ccccc2CCN1C(=O)OC(C)(C)C 1922094017 HWRYSJCWGKLGDT-JWQCQUIFSA-N 436.596 5.272 30 10 IKEE COc1cccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(C)c2)c1Br 1927303277 HOOMVOMCPFGAAW-QGZVFWFLSA-N 431.330 5.773 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 1944586999 AIZLODUYVQGFOG-WAIKUNEKSA-N 433.524 5.154 30 10 IKEE COc1cc(C=C2SC(=Nc3cccc(C)c3)NC2=O)ccc1OCc1ccccc1 2040446001 BQKKHJKNYDBMDG-UHFFFAOYSA-N 430.529 5.474 30 10 IKEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1C 2045239489 HDTVVNBKYDBRMB-CLOONOSVSA-N 443.588 5.666 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)C1(C#N)CCC(N(C)C(=O)OC(C)(C)C)CC1 2048953657 QWSGRCOLEWIDBZ-UHFFFAOYSA-N 443.588 5.808 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)cc1 2076316166 FETVEWRKVIYMJX-DFBJGRDBSA-N 443.588 5.666 30 10 IKEE CC[C@@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)(F)F)c(CO)c1Br 2079843761 IRSUMDBHUINUDF-NSHDSACASA-N 449.164 5.314 30 10 IKEE CCc1nn([C@@H](c2ccc(C(F)(F)F)cc2)C(C)C)c(I)c1C#N 2080053056 RHZCURFVRBQVQM-OAHLLOKOSA-N 447.242 5.186 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@]1(C#N)CN(Cc2ccccc2)C2(CCCC2)C1 2100067323 MOSYEIFDCLJYFR-HHHXNRCGSA-N 449.570 6.048 30 10 IKEE C#Cc1ccc(CNCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1 2134727655 JUEWXKVVRFOQFH-UHFFFAOYSA-N 433.551 6.116 30 10 IKEE C=CC[C@H](C)[C@H](NCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2229122599 GTXXBKRJGMDREG-SNRMKQJTSA-N 425.411 5.075 30 10 IKEE CC1(C)OB(c2ccc(Oc3cc(Cl)c(Br)cc3Cl)nc2)OC1(C)C 2232315517 GXEBHGBCVMOJBX-UHFFFAOYSA-N 444.949 5.242 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@@H](C#N)c1c(F)ccc(Br)c1F 2239732520 RDOAOPRYVWKXFF-HNNXBMFYSA-N 441.247 5.873 30 10 IKEE C=C(C)CCCCSC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2241941481 WMVLHPUGZNBGJL-QHCPKHFHSA-N 439.577 5.458 30 10 IKEE C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1cc(Cl)cc(B2OC(C)(C)C(C)(C)O2)c1 2255824735 NMVCBZJKWFEEFM-KRWDZBQOSA-N 439.792 5.080 30 10 IKEE C=CCCC1([C@@H](O)c2cc(C)cc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2266307180 FHRXHAKAGRBGCR-KRWDZBQOSA-N 428.342 5.133 30 10 IKEE C=C(Cl)C[C@](C)(OCCC(=O)O)c1cc(Br)c(Br)s1 2275320012 IGHVAJFLSCVCQX-LBPRGKRZSA-N 432.561 5.122 30 10 IKEE CC(C)(C)OC(=O)Nc1ccccc1OCCNc1c(Br)cccc1C#N 2285180015 ZXGSRZGYRFPUAC-UHFFFAOYSA-N 432.318 5.159 30 10 IKEE C=CCN1C(=O)C(=Cc2cc(Cl)ccc2OCc2ccccc2Cl)SC1=S 2293226921 UYMAFEQIEITCKE-UHFFFAOYSA-N 436.385 5.960 30 10 IKEE COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)C(=Cc3ccc(OC)c(OC)c3)C[C@@H]12 2297109886 SZBWKZHLROZHJQ-DFIMXKNXSA-N 432.560 5.831 30 10 IKEE CC(C)(C)[C@@H](CS)CSc1cc(I)ccc1Br 2300805375 NPRJMXDXAXOBKP-VIFPVBQESA-N 445.229 5.738 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O)c1ccccc1Cl 2314437392 LIUBCTWVXWZQST-UHFFFAOYSA-N 445.685 6.482 30 10 IKEE Cc1nnc(N=C2SC(=Cc3cccc4ccccc34)C(=O)N2c2ccccc2)s1 2314547452 IRJNAGJHQYHJKM-UHFFFAOYSA-N 428.542 5.808 30 10 IKEE CC#CCN(C[C@H](NCC)c1sc(C)c(Br)c1C)C(=O)OC(C)(C)C 2316104313 WFEUFRBQFVTKMI-HNNXBMFYSA-N 429.424 5.038 30 10 IKEE O=[N+]([O-])c1ccccc1C=Nn1c(SCc2cccc3ccccc23)nnc1C1CC1 2320868063 VCHMDFGROQCFPC-UHFFFAOYSA-N 429.505 5.391 30 10 IKEE CC(C)[C@@H]1C[C@@](C#N)(Nc2ccccc2Br)CN1C(=O)OCc1ccccc1 2321532927 QUBYSWNQBFEDEO-UNMCSNQZSA-N 442.357 5.190 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(OCc4ccc(F)cc4Cl)c3C)C2=O)cc1 2321863004 JKJFUALTSDFHMJ-UHFFFAOYSA-N 438.882 6.381 30 10 IKEE Cc1cccc(OCc2nnc(S)n2N=Cc2cccc(Oc3ccccc3)c2)c1C 2322052267 GIAREGCFQUYTPL-UHFFFAOYSA-N 430.533 5.437 30 10 IKEE CCCCCCN1COc2ccc3c(c2C1)OC(=Cc1cccc(Br)c1)C3=O 2322082969 HKFRMSMRHCMBLI-UHFFFAOYSA-N 442.353 5.798 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc4c3CN(Cc3cccc(Cl)c3)CO4)C2=O)cc1 2322211693 HORVKCSKDVKIDE-UHFFFAOYSA-N 431.919 5.871 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1cccc([N+](=O)[O-])c1)C3=O)CN([C@H]1CCCC[C@H]1C)CO2 2322391870 YUZOMVBSYNKBGC-VFNWGFHPSA-N 434.492 5.250 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1ccccc1)c1ccc(Br)cc1 2322426705 DJMFYKPRXSQGST-UHFFFAOYSA-N 427.725 6.578 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)c1OCc1cccc(F)c1 2322474668 GOGONUCNJOHKQV-UHFFFAOYSA-N 441.842 5.871 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)c1OCc1cc(C)ccc1C 2322687707 ZFJBZFZPYLTKRE-UHFFFAOYSA-N 428.572 7.085 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cc(Cl)ccc1OCc1ccccc1C 2322775391 XCOOFQLFBJNVNW-UHFFFAOYSA-N 448.990 7.430 30 10 IKEE COc1cc(C(=O)C=Cc2ccccc2OCc2ccccc2F)c(OC)cc1Cl 2322867212 PAUCDNKMUFXGOJ-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(OC(=O)C=Cc4ccco4)c3C)C2=O)c2ccccc21 2323163259 DHNWQLWVNCDRBL-UHFFFAOYSA-N 439.467 5.798 30 10 IKEE CCc1cc(O)nc(NN=Cc2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)n1 2323231276 FPYLVIWWMLWBMC-UHFFFAOYSA-N 447.322 5.085 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1 2323370627 YJKQDYODXGIPLF-UHFFFAOYSA-N 430.460 5.071 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(OC)c1OCc1ccccc1F 2323799656 DCTBIRGEBQXUMQ-UHFFFAOYSA-N 436.910 6.691 30 10 IKEE CCCOc1c(Cl)cc(C=NNc2nc(-c3ccc(OC)cc3)cs2)cc1OCC 2323840479 INLPNJYRBVEVBQ-UHFFFAOYSA-N 445.972 6.106 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2OCC)C3=O)c1 2323854394 UOSCSMHZJZEZEN-UHFFFAOYSA-N 442.467 5.486 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OCc1cccc(Cl)c1 2323866004 HBANGAFWIPWQAR-UHFFFAOYSA-N 446.974 7.169 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OCc1ccc(F)cc1 2324141038 BZCLNSVEJSNINR-UHFFFAOYSA-N 426.487 6.853 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OCc3ccc(C)cc3)cc2)cc1 2324208768 LAMPIUBCGJJHAA-UHFFFAOYSA-N 442.599 7.819 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OCc2ccccc2Cl)cc1 2324220104 NBVBMCFOZLXCJJ-UHFFFAOYSA-N 434.963 7.121 30 10 IKEE COC(=O)c1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 2324355930 GBDSUTHJHCYERD-JOCHJYFZSA-N 438.508 5.640 30 10 IKEE C=C(C)COc1c(Br)cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1OC 2324378613 ODXGNDPUAISQJG-UHFFFAOYSA-N 445.353 5.934 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)OCC(C)C)c(Br)c2)cc1C 2324448914 DHFWUDJUIPZJFW-UHFFFAOYSA-N 445.353 5.540 30 10 IKEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3cc(C)c(Cl)cc3OC)cc2)o1 2324505024 UQMQCULLNKNBCJ-UHFFFAOYSA-N 440.879 5.512 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)C=Cc2ccccc2Cl)n1 2324794748 MVHFZMUSSSJQAQ-FQEVSTJZSA-N 434.992 6.959 30 10 IKEE CCCCCCCCCOc1ccc2c(c1)OC(=Cc1cn(C)c3ccc(OC)cc13)C2=O 2325185351 SOPNTUJSDKLZBU-UHFFFAOYSA-N 447.575 6.933 30 10 IKEE CCc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccccc2F)cc1 2325448842 RQFDJSJJNIZOSV-UHFFFAOYSA-N 444.579 5.939 30 10 IKEE CCOc1cccc(C=Nn2c(Cc3ccccc3)nnc2SCc2cccc(F)c2)c1 2325474507 LYZRWSZDKRFDSJ-UHFFFAOYSA-N 446.551 5.581 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccncc2)C3=O)cc1 2325620001 BSQYGTDESMZOBZ-QGZVFWFLSA-N 442.515 5.537 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cccc(Oc4ccccc4)c3)c2)cc1 2325705703 PCSRRYNRWIDAMZ-UHFFFAOYSA-N 448.518 7.157 30 10 IKEE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Oc1cccc(C=CC(=O)c2ccccc2)c1 2325732922 FPDWLBDXNCWOKD-INIZCTEOSA-N 441.310 6.262 30 10 IKEE CCCOc1ccc(CC(=O)Oc2cc(C=CC(=O)c3ccc(C)cc3)ccc2OC)cc1 2325737479 KXFVXXSTZHXMDP-UHFFFAOYSA-N 444.527 5.837 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2cccc(Cl)c2)C3=O)cc1C 2325738871 AYJULDUULFVUBJ-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE COc1ccc(C=CC(=O)c2cccc3ccccc23)cc1OC(=O)Cc1ccc(C)cc1 2325748927 IAFAHBVWMBYEIR-UHFFFAOYSA-N 436.507 6.201 30 10 IKEE C=CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1sccc1C 2326137636 QGPOAMIBJMQKHC-UHFFFAOYSA-N 433.002 5.658 30 10 IKEE CCCSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1ccc(F)cc1 2326341731 SXSJSKLZTDHZFB-UHFFFAOYSA-N 426.561 5.376 30 10 IKEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1cccc(Cl)c1Cl 2326514656 IZLJRCQVUAWMAJ-UHFFFAOYSA-N 446.190 6.375 30 10 IKEE Cc1cccc(CSc2nnc(CCCOc3ccccc3C)n2N=Cc2ccco2)c1 2327065881 WVARFCWFWRBGNW-UHFFFAOYSA-N 446.576 5.674 30 10 IKEE CCCSc1nnc(COc2cc(F)ccc2F)n1N=Cc1ccc(C(C)C)cc1 2327480642 KDRXOCVPMGNXHD-UHFFFAOYSA-N 430.524 5.643 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3C)n2N=Cc2cccn2C)cc1C 2328774888 LIHPTCAKVOLHJN-UHFFFAOYSA-N 445.592 5.295 30 10 IKEE Cc1ccc(CSc2nnc(CCc3cccs3)n2N=Cc2ccccc2F)cc1 2329631808 NLJKQHPICSEYPP-UHFFFAOYSA-N 436.581 5.747 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(OC)c1OC(=O)C1CCCC1 2330658785 AOBFPBMPCOMTSG-UHFFFAOYSA-N 430.500 5.849 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4ccccc4c3)cc2[N+](=O)[O-])cc1 2330664823 HIVUXCFYDPSIQL-UHFFFAOYSA-N 437.451 6.172 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CC(C)(C)C)nnc1SCc1ccc(C)cc1 2330804358 ARHHKOXHIDQWKJ-UHFFFAOYSA-N 434.609 5.914 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3Cl)cc2)c1 2330804403 FKJYUMUPYPXJAL-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2)cc1 2331138335 OQMJYEXMJLZMOA-UHFFFAOYSA-N 434.919 6.173 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1-c1ccccc1 2331183780 LYXWXUGFBGQFMQ-UHFFFAOYSA-N 434.491 6.478 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)Cc1ccccc1 2331276530 KLDROOYVRCAWEW-UHFFFAOYSA-N 434.919 6.091 30 10 IKEE CCc1ccc(C=Nn2c(CCOC)nnc2SCc2ccc(Cl)c(Cl)c2)cc1 2331311571 XRXSEULKIKXZPV-UHFFFAOYSA-N 449.407 5.511 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)c1cccc(C)c1 2331312440 WGXJQHGUQSRLRF-UHFFFAOYSA-N 434.919 6.389 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1cccnc1 2331421880 ZANCEAYHRBJYQX-UHFFFAOYSA-N 429.516 5.893 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccncc2)c(Br)c1)c1ccc(F)c(F)c1 2331558845 JABGAEFYIKMRGI-UHFFFAOYSA-N 444.231 5.238 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)[C@H](C)c1ccccc1 2331632353 DTJUPVVZLRODAP-HXUWFJFHSA-N 444.527 5.926 30 10 IKEE COc1cc(C(=O)C=Cc2ccc(OC(=O)Cc3cccs3)cc2)c(OC)cc1Cl 2331687193 RQSONWHDNPQJOM-UHFFFAOYSA-N 442.920 5.463 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2OC)cc1 2331712784 KKLXWGYJPJBNHM-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3cncc(C)c3)c([N+](=O)[O-])c2)cc1C 2331851085 IOAMYRORJLMXNK-UHFFFAOYSA-N 446.459 5.039 30 10 IKEE CC(C)[C@H](Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)[C@H](C)NC(=O)OC(C)(C)C 2339580916 HDJFFCJJVHBGAZ-UMHOCLNPSA-N 446.397 5.043 30 10 IKEE N#Cc1ccc(OCc2ccc(I)c(Br)c2)cc1Cl 2349924840 GCZSTWWKXMIDOB-UHFFFAOYSA-N 448.485 5.158 30 10 IKEE C=CCc1ccccc1OCC(=O)Nc1scc(-c2ccc(F)cc2)c1C(=O)OCC 2610020 ODQBEGGUHZDKKU-UHFFFAOYSA-N 439.508 5.477 30 10 IKEE C=CCNC(=O)c1cccc2c1N[C@@H](c1ccccc1OCc1ccccc1)[C@@H]1CC=C[C@H]21 14476561 GTKFYTJGJSGTTP-OREGWCPLSA-N 436.555 6.008 30 10 IKEE CC1(C)[C@H]2CC[C@]1(C)/C(=N\N=C1/NC(=O)/C(=C\c3cccc(Br)c3)S1)C2 20551686 XGBYPXJUPDRINW-CYNNFEIVSA-N 432.387 5.211 30 10 IKEE C=CCN(CC(=O)N(Cc1ccccc1)Cc1ccc(C)s1)C(=O)CCCCCC 35798866 WUDARSKMRJYNOV-UHFFFAOYSA-N 426.626 5.570 30 10 IKEE CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1c2ccccc2cc2ccccc12 58949842 AJFHAHVRUCBMJK-DEOSSOPVSA-N 441.527 5.483 30 10 IKEE O=C(Nc1ccccc1)c1c(/N=C/c2ccc(N3CCOCC3)o2)sc2c1CCCC2 59245885 QFIATTOSPZKVMN-PCLIKHOPSA-N 435.549 5.059 30 10 IKEE C=C(C)COc1ccc(NCC(=O)Nc2ccc(NC(=O)CCc3ccccc3)cc2)cc1 66062241 HBIHNVNSTWYUGR-UHFFFAOYSA-N 443.547 5.263 30 10 IKEE CCCCCCCOc1ccc(NC(=O)[C@@H](CC)Oc2ccc(-c3ccccc3)cc2)cc1 100213409 BHCABKXKKPQCNY-MUUNZHRXSA-N 445.603 7.499 30 10 IKEE CCCCCCCCCn1c([C@@H](C)NC(=O)c2cccc(Cl)c2)nc2ccccc21 102225175 QFFYUOXWPNUHEO-LJQANCHMSA-N 426.004 6.931 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc3C2=O)c2ccccc21 103024647 NWXLOKJZBBIWKV-CFRMEGHHSA-N 443.886 6.150 30 10 IKEE C=CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1ccc([N+](=O)[O-])cc1 103860888 HPFLMCQXCXPFDO-QHQVFXOCSA-N 438.534 5.145 30 10 IKEE Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 107648749 OOGMSBAHOVKWDJ-IBGZPJMESA-N 444.947 6.075 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc(C)cc2)=C(O)C(=O)N1c1cccc(C)c1C 169944211 WRXJSTABWAFSQL-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1cccc(C)c1 169971115 ZVIYGCOPGOTHDG-QFIPXVFZSA-N 435.426 5.065 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccncc1 170018845 AQUSXNJQJZBKPH-JOCHJYFZSA-N 444.874 5.573 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@@H]2c2ccncc2)cc1 170022257 VMIKJCSLVHUCEM-JOCHJYFZSA-N 448.906 5.225 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccccc2F)cc1 170071391 SEFNWYULDHBSSO-RUZDIDTESA-N 448.453 5.633 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2c[nH]c3ccccc23)c1 170073629 DLHUQVDYNPSCGF-XMMPIXPASA-N 440.474 5.707 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(OC)cc1 170116704 VGRXLXFQDRHNOC-QHCPKHFHSA-N 437.536 5.251 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2cccs2)c1C 170158870 MELOXBCJLMBOHE-QHCPKHFHSA-N 447.556 5.935 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2cccnc2)ccc1Cl 170187634 MVZMIOSJBPCCIQ-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@H]1c1ccc(C(C)C)cc1 170245373 ARPZKVHMEGXUIT-JOCHJYFZSA-N 425.500 5.336 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@H]1c1ccccc1F 170253256 FUMUKMXYCFZYKH-JOCHJYFZSA-N 425.500 5.383 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccco2)c1C 170285920 BZRMNIUQGHQTRB-XMMPIXPASA-N 427.500 5.558 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@@H]1c1ccco1 170294758 MNFNUPNTVYEORR-SFHVURJKSA-N 432.314 5.119 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2ccc(OCC(C)C)cc2)cc1 170350307 UFLYJQLEXBTNDV-DEOSSOPVSA-N 442.515 5.208 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)CC(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 170470885 IGVJLJXTCHNWCT-XMMPIXPASA-N 435.564 5.504 30 10 IKEE COc1cc2sc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3cccs3)nc2cc1C 170477532 HWCMERROGGUJGI-IBGZPJMESA-N 442.562 5.190 30 10 IKEE COc1cc(Br)cc(C=Nc2ccc3oc(-c4ccccc4F)nc3c2)c1O 252600218 DOXSPKCVVIJEHS-UHFFFAOYSA-N 441.256 5.861 30 10 IKEE C[C@@H]1CC/C(=C/C=C\c2ccccc2[N+](=O)[O-])C(=O)/C1=C/C=C\c1ccccc1[N+](=O)[O-] 252625347 QHSOFLQDNNTTDE-NAADTMHKSA-N 430.460 6.081 30 10 IKEE CSC1=NC(=Nc2cccc(C)c2)C2(CCCCC2)N1c1ccc(Br)cc1 252625552 QMMYSSIOPBBGDF-UHFFFAOYSA-N 442.426 6.730 30 10 IKEE COc1ccc(C(C)=NN=c2scc(-c3ccc(OC)cc3)n2-c2ccccc2)cc1 252626558 RBDSDDFEIBTPGD-UHFFFAOYSA-N 429.545 5.548 30 10 IKEE COc1ccc(/C=C2\C[C@@H]3[C@H]4CC=C5C[C@H](OC(C)=O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cc1 253534368 RZZSYQOCHYTRMK-QVCQDIFUSA-N 448.603 6.152 30 10 IKEE CCCCN1C(=O)/C(=C2/Sc3ccccc3N2CC)SC1=Nc1ccc(OC)cc1 254762942 UAVDEMZBOXQRKS-JSYGVCDLSA-N 439.606 5.860 30 10 IKEE O=C(Nc1sc(NN=C/C=C\c2ccccc2)nc1-c1ccccc1)c1ccc(F)cc1 254844132 WUEHLAZWAATKHX-JAGUFZAFSA-N 442.519 6.313 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccc(Cl)c2)cc1 526486272 NYLPFFDGWVPXKQ-HSZRJFAPSA-N 430.891 5.668 30 10 IKEE CCOc1cccc([C@H]2C(c3ccc(OC)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 526486480 LQEUGJQEDCROOR-DEOSSOPVSA-N 426.472 5.023 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526520958 JHBPSNPCWHGJHK-AREMUKBSSA-N 437.543 5.770 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1cc(Cl)c(O)c(OCC)c1 526803330 VHRCBWGZPRJLRS-MSXFZWOLSA-N 448.951 5.302 30 10 IKEE CCOc1cc(/C=N\n2c(C)nnc2SCc2cccc(C)c2)cc(Cl)c1OC 526808353 SFWGJDVICBWQEN-FMCGGJTJSA-N 430.961 5.130 30 10 IKEE CC(C)(C)Oc1ccc(/C=N\n2cnnc2SCc2ccc(Cl)c(Cl)c2)cc1 526814928 QZLCUQNMDMLTNS-MYKKPKGFSA-N 435.380 5.937 30 10 IKEE CCN(CC)c1ccc(/C=N\n2cnnc2SCc2ccc(Br)cc2)cc1 526820250 YJBFONWIVBFNIH-QRVIBDJDSA-N 444.402 5.061 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)C[C@@H]2CCCO2)cc1 586179691 FNOJRFRIUZQFIM-DEOSSOPVSA-N 440.609 5.051 30 10 IKEE N#Cc1cccc(C(=O)N(c2cccc(F)c2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 586268971 RKHYQEOPUCIIEO-UHFFFAOYSA-N 449.290 5.040 30 10 IKEE CCCCCCC[C@](C)(CN)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 698234654 VOKRYENRKMSZOD-OAQYLSRUSA-N 427.427 6.269 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@H](C#N)c1cc(Br)c2c(c1)OCO2 698428479 ZPWXZQGWIHEQIN-KRWDZBQOSA-N 445.313 5.180 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCO[C@@H](C(F)(F)F)C1 698497632 NHIQSERFDLQCTF-RHSMWYFYSA-N 449.267 5.194 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@@H](C#N)CN(C(=O)OC(C)(C)C)C(C)(C)C 698938178 DNOCGPZZVFUNKY-INIZCTEOSA-N 435.540 5.495 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)c(F)c1)NCCC 721962477 ODAQRTWJOGHXNV-OALUTQOASA-N 443.401 5.358 30 10 IKEE Cn1c2ccccc2c2nnc(NN=Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nc21 1082989807 QAGKAHXYKVJKQE-UHFFFAOYSA-N 430.556 5.263 30 10 IKEE C=CCOc1ccc(C=NNc2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)cc1 1084401266 NHNPLTAYKYQWFJ-UHFFFAOYSA-N 445.975 7.141 30 10 IKEE CC(C)c1nnc([C@@H](C)Sc2n[nH]c(NN=Cc3cccc(Oc4ccccc4)c3)n2)o1 1084613034 LLIBMMIJVIZAFQ-OAHLLOKOSA-N 449.540 5.403 30 10 IKEE C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@@]43C)[C@H]1CC/C2=N/N=C/c1ccccc1C(F)(F)F 1613971508 FHIHDASURXFVSB-VIOGFYMJSA-N 444.585 7.913 30 10 IKEE CCCCCCCCNC(=O)[C@H](CC)NC(=O)Cc1cc(Cl)ccc1SCC 1861007106 QAAMWBJKJGLGMZ-IBGZPJMESA-N 427.054 5.366 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccccc1 1861133402 NODVSRJHOWFOKW-VWLOTQADSA-N 443.031 5.997 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc2nc(C)c(C)nc2c1 1861394349 DQOLNNHWWGHCOH-DEOSSOPVSA-N 438.616 5.108 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)c1ccccc1 1862144881 QCYNYKLJSJOUFD-UFSNDUKISA-N 429.347 5.065 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@@H]2c2cccc(O)c2)cc1 1862430385 JHYKMGXVCAYVGR-QHCPKHFHSA-N 447.918 5.175 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1Cl 1862432029 ULQNHODZZQRLRJ-HXUWFJFHSA-N 439.298 5.167 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(Cl)cc1 1862458676 SSEPBAMJMYMQNY-IBGZPJMESA-N 437.845 5.526 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(F)cc2F)cc1 1862476979 HDNWQWYQLWXFGM-QHCPKHFHSA-N 433.454 5.094 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 1862492627 WEZVRNXYLLAZOL-QHCPKHFHSA-N 448.519 5.513 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCC2)cc1OC 1862496529 MCZRZQFVAFGHKE-XMMPIXPASA-N 449.547 5.232 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccccc2F)c1 1862501799 KZJLRHGFMCWIGV-QHCPKHFHSA-N 449.453 5.060 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C2CC2)c1 1862623829 XKUOHWBBXMWCIM-HSZRJFAPSA-N 433.548 5.514 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(OCCC)cc1 1862669418 VVSSJUQVQGYKIS-RUZDIDTESA-N 449.591 6.367 30 10 IKEE Cc1cccc(NC2=C(c3ccc(Cl)c(Cl)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1862913120 DAVYEBWBXCSXJD-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE N#Cc1ccccc1N1C(=O)C(Nc2cccc3ccccc23)=C(c2ccccc2Cl)C1=O 1863083153 KOQVUIJIEDVHHE-UHFFFAOYSA-N 449.897 5.761 30 10 IKEE CCCCCCCCNC1=C(c2ccc(OCc3ccccc3)cc2)C(=O)N(CC)C1=O 1863708018 IXGWNMJZEDOUCR-UHFFFAOYSA-N 434.580 5.316 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3ccc(OC)cc3[C@@H]2c2ccccc2)nc(C)n1 1869290672 CWJFPFUHTGMXKC-MHZLTWQESA-N 426.564 5.124 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2)c(CN(CCC)CCCC)cc1=O 1870410864 IWYNGZKGFPUGJB-UHFFFAOYSA-N 426.645 6.258 30 10 IKEE C=CCOc1cn(CCCCc2ccccc2)c(CNc2ccc(C(C)C)cc2)cc1=O 1870809639 NNAURARLOHNAKF-UHFFFAOYSA-N 430.592 6.172 30 10 IKEE C=CCOc1cn(CCCOC(C)C)c(CNc2ccc(Cl)c(Cl)c2)cc1=O 1870811272 RFRMQDSIICJDJK-UHFFFAOYSA-N 425.356 5.147 30 10 IKEE CCCCCCCCn1cc(OCCCCC)c(=O)cc1CNc1ccc(N(C)C)cc1 1871130304 LSCTZGBWJRXWHA-UHFFFAOYSA-N 441.660 6.456 30 10 IKEE CCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CNc1cc(C)cc(C)c1 1871257598 IMBATHJDFRKKTL-UHFFFAOYSA-N 426.645 6.863 30 10 IKEE COc1ccc(CCN2COc3cc(C)c4c(c3C2)O/C(=C\c2ccccc2)C4=O)cc1 1871345563 MDAQNLAKSRJIDA-IWIPYMOSSA-N 427.500 5.014 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3cc(OC(=O)c4cccc5ccccc45)ccc3C2=O)cc1 1871377901 JXKGYMYAZIIZMW-YUMHPJSZSA-N 434.491 6.799 30 10 IKEE Cc1cc(OCCc2ccccc2)cc2c1C(=O)/C(=C/c1ccc(Cl)cc1Cl)O2 1871400219 PIQFHQNUHYLIFE-UUYOSTAYSA-N 425.311 6.540 30 10 IKEE Cc1cccc(OCCOc2ccc3c(c2C)O/C(=C\c2ccc(C(C)C)cc2)C3=O)c1 1871407939 RIXPCESLANPSGQ-ONUIUJJFSA-N 428.528 6.501 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4cc(C)ccc4C)ccc3C2=O)cc1 1871410758 BNUQIXDWQVPVFG-PKFJFBDISA-N 441.527 5.888 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(Cl)c(C)c2)[nH]c(N2CCC(C)CC2)n1 1871663754 MBOZTROSSWTEDV-UHFFFAOYSA-N 445.055 6.008 30 10 IKEE C=CCN(CC=C)c1nc(=NCCCCCC)nc(Nc2ccc(C(F)(F)F)cc2)[nH]1 1871681480 QDJMFNNVGAJHQM-UHFFFAOYSA-N 434.510 5.227 30 10 IKEE C=CCN([C@@H](C(=O)Nc1cccc(Cl)c1)[C@@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872249614 XTHAIOGNNXIMEG-HTAPYJJXSA-N 449.016 5.187 30 10 IKEE CCOc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2ccc3ccccc3c2)cs1 1872760663 UURZWUAMMKBGNH-FQEVSTJZSA-N 428.513 5.617 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(Br)cc3)n2)c(C)c1 1872769612 WPSPVAVXNZIMTQ-GOSISDBHSA-N 425.351 5.608 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2OC)C(=O)N([C@@H]2CCCC[C@@H]2C)C1=O 1873152805 NBOPBTCXKOBABX-PZJWPPBQSA-N 426.601 5.304 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(CCCC)cc2)=C(c2cccc(Cl)c2Cl)C1=O 1873341782 QYIUKPKLOMCRKT-UHFFFAOYSA-N 429.347 5.714 30 10 IKEE COc1ccc(OCc2nnc(SCc3ccccc3F)n2/N=C/c2ccccc2)cc1 1874292298 WOJUGDCVYPERCC-CVKSISIWSA-N 448.523 5.179 30 10 IKEE C=CCSc1nnc(COc2cccc(C)c2C)n1/N=C/c1cccc2ccccc12 1874324431 DYTUNLPQCZZFPC-WGOQTCKBSA-N 428.561 5.787 30 10 IKEE Cc1ccsc1/C=N/n1c(SCc2ccccc2F)nnc1-c1ccccc1Cl 1874368035 LDLCJMAARKEONW-WYMPLXKRSA-N 442.972 6.282 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2cccs2)n1/N=C/c1ccc(F)cc1 1874368780 RWKBHOFCZFKVFD-MFKUBSTISA-N 436.581 5.747 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2)n1/N=C/c1cccc2ccccc12 1874395839 WVDWHVUMSRAXMG-LBGKPPMZSA-N 448.595 6.758 30 10 IKEE CCCSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1cc(Br)ccc1F 1874399425 PBJLVYWLLVXVIW-WQEJZQBCSA-N 447.377 5.716 30 10 IKEE CCCCOc1ccc(/C=N/n2c(Cc3cccs3)nnc2SC)cc1OCC 1874411335 OJKFQLPRFLHIFI-PXLXIMEGSA-N 430.599 5.112 30 10 IKEE CCOc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2F)cc1 1874416883 NADVDUPVLXFDEU-WPWMEQJKSA-N 446.551 5.581 30 10 IKEE CSc1nnc(-c2ccccc2)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874425477 LGSDNZYYJBRTGD-MFKUBSTISA-N 434.952 5.782 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2-c2ccccc2)c1 1874430289 BGNDMRMLJSTERF-WGOQTCKBSA-N 448.979 6.172 30 10 IKEE CCCOc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2cccc(C)c2)cc1 1874437855 WVVYKACPNCSHOF-YZSQISJMSA-N 436.625 6.138 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1cccs1 1874440560 HVEYVHZOWDFHGS-SSDVNMTOSA-N 439.437 6.410 30 10 IKEE Fc1cccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2[C@H]2CCCO2)c1 1874451815 QCQCZVPKZVJHCX-SFQCIDFKSA-N 434.899 5.236 30 10 IKEE Oc1cccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2-c2ccco2)c1 1874469203 SFQFGKUTBFZVJP-FOKLQQMPSA-N 428.876 5.211 30 10 IKEE COCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(C)cc1 1874474334 YKTDHVCXCSEIJZ-FSJBWODESA-N 435.380 5.257 30 10 IKEE CCCSc1nnc(CC)n1/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1874526426 ZYESFJFKEFXZLO-ZMOGYAJESA-N 449.407 6.111 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1cccc(OC)c1O 1874527818 GWLXWRHHCRQACT-LSHDLFTRSA-N 437.352 5.036 30 10 IKEE Cc1cccc(CSc2nnc(C)n2/N=C/c2cccc(OCc3ccccc3)c2)c1 1874530740 YUMKVLNXJZKDAG-WGOQTCKBSA-N 428.561 5.648 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 1874578221 BWYSPKPCAVRMOT-VZUCSPMQSA-N 428.271 6.377 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cc(Cl)ccc1OCc1cc(C)ccc1C 1874586009 REOAUXWTIVVEMD-CSKARUKUSA-N 434.963 7.057 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3cc(C)ccc3C)c2)cc1F 1874597581 VAYDWSUSOBVORM-PKNBQFBNSA-N 433.479 5.365 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)c(OC)c2)cc1 1874605209 SRKVDROLWDJAOV-GRFAERAESA-N 443.543 5.410 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc(OC)c1OCc1cccc(C)c1 1874606803 HQLNIOCQLHXXKP-ACCUITESSA-N 442.555 6.524 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OCc1ccc(F)cc1 1874622597 LHUPXHHNUAAWBF-XBXARRHUSA-N 440.854 5.692 30 10 IKEE O=C(CC1CCCCC1)Oc1cccc(/C=C/C(=O)c2ccc(Br)cc2)c1 1874697450 YVWKCMRPOUSNKC-NTEUORMPSA-N 427.338 6.221 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1OC(=O)C1CCC1 1874712974 ZLBKFABIEYGLIH-MHWRWJLKSA-N 428.484 6.089 30 10 IKEE O=C(CCc1ccccc1)Oc1cccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1 1874718195 DHWKQUADIHWPGL-UKTHLTGXSA-N 425.311 6.428 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)CC3CCCCC3)c(OC)c2)cc1 1875100324 YXGKXSMTISXWJN-NTCAYCPXSA-N 436.548 6.038 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(CCCC)cc2)cc(OC)c1OC(=O)CC(C)C 1875107871 NKRJOYWMQGEZQH-DTQAZKPQSA-N 434.576 6.614 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OC(=O)Cc1ccc(Cl)cc1 1875110432 KSTDUIZFIVJUEO-XYOKQWHBSA-N 441.310 6.046 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 1875116817 UMQTWQFACDQQBZ-RQZCQDPDSA-N 429.472 5.592 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)cc(Br)c1OC(=O)C1CC1 1875119891 RSTWIIHRFUXENP-DHZHZOJOSA-N 445.309 5.068 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)c(F)c2)c([N+](=O)[O-])c1)c1cccc(Cl)c1 1875124485 NLOSXDGMIUUQTF-XBXARRHUSA-N 443.789 5.642 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3-c3ccccc3)cc2)c(C)c1 1875130984 BGXUMOOLXBIXDZ-XDJHFCHBSA-N 432.519 7.086 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)c(C)c3)c(Cl)c2)c(C)c1 1875131928 VYBPUHAGTYKWFU-UXBLZVDNSA-N 436.910 6.449 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(C)c3)cc2[N+](=O)[O-])c1 1875141866 ZMSXHDBVGDQPJS-UXBLZVDNSA-N 435.407 5.166 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2Cl)cc1C 1875148873 YGWXSEGHTLISIW-VGOFMYFVSA-N 446.974 7.370 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1OCC 1875149583 XQUJNDXJGFWALL-XNTDXEJSSA-N 442.983 7.028 30 10 IKEE CC(C)(C)OC(=O)NC1([C@@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)CCCCC1 1889836253 RNJBQINTSMHCQQ-HXUWFJFHSA-N 443.588 5.543 30 10 IKEE O=C(Nc1ccc(C(F)(F)F)c(F)c1)c1cc(C(F)(F)F)ccc1Br 1890744683 FIGNFBRHHRYTGN-UHFFFAOYSA-N 430.117 5.878 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1ccc(OC)cc1NC(=O)OC(C)(C)C 1922081577 YPFISLHICIYEKI-XMMPIXPASA-N 440.584 5.856 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]2CCCCN2C(=O)OC(C)(C)C)c1 1944734957 DLAZFVJIOCVMCJ-VQTJNVASSA-N 429.561 5.418 30 10 IKEE Cc1cc(NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)ccc1C#N 1959289055 FUUROKNJIHKWOJ-UHFFFAOYSA-N 427.504 5.139 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1[C@@H](NC(=O)OC(C)(C)C)[C@@H]2CCC[C@H]21 2005466102 MVTBCFNEFAHMBV-DJCPXJLLSA-N 428.617 5.067 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@H](C#N)[C@@]1(C)CCCN1C(=O)OC(C)(C)C 2020805001 VYRZHPYDGYDGPY-WZONZLPQSA-N 433.524 5.249 30 10 IKEE CC(C)N[C@]1(C#N)CCC[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)[C@@H]1C 2055575308 YIOMTCKGFVPZKK-VCTRFXNDSA-N 432.656 5.070 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C[C@H]1C1CC1 2073784201 XSRIVFPBIILJKW-CPJSRVTESA-N 447.620 5.628 30 10 IKEE CCCc1ccc([C@@H](C2CC2)n2nc(C(C)C)c(C#N)c2I)cc1 2080036606 WTAVUJVVZHKVEP-IBGZPJMESA-N 433.337 5.435 30 10 IKEE Cc1ccc(-c2c(C(F)(F)F)nn(C(F)(F)F)c2I)cc1F 2080821765 WWXPSSWCUPDFNU-UHFFFAOYSA-N 438.084 5.097 30 10 IKEE CCc1nn2c(Cl)cc(-c3ccc(C(F)(F)F)cc3Br)nc2c1C#N 2081396402 MHVHELDTFFHZJB-UHFFFAOYSA-N 429.627 5.265 30 10 IKEE C=CCCCCCCCC[C@@H](NC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2086261691 NPMCMRKOAJJOAV-ICDZXHCJSA-N 446.676 6.380 30 10 IKEE C=CCCCCCCCCC[C@H](O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2086264683 WJCFTYYNMQETMV-RPBOFIJWSA-N 446.676 6.070 30 10 IKEE C=CCC1([C@@H](NCC)c2c(C)sc(C)c2Br)CN(C(=O)OC(C)(C)C)C1 2087630060 SUYLPVBHPBTOQV-KRWDZBQOSA-N 443.451 5.591 30 10 IKEE CCc1cc(Br)c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(C)c2)s1 2089744187 UDVSQRWFRFNSKR-QGZVFWFLSA-N 435.387 6.388 30 10 IKEE N#Cc1ccc(N[C@@H]2CN(Cc3ccccc3)CC3(CCC3)C2)c(F)c1Br 2151115652 AEILRACEXZULGN-SFHVURJKSA-N 428.349 5.317 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@@H]2Nc2ccc(C#N)c(Br)c2)C1 2156235485 BMPMCBCSZYXGCA-GHTZIAJQSA-N 434.378 5.302 30 10 IKEE CC(C)N(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1cc(Br)ccc1C#N 2174809951 GLZODKOZJIREBP-SFHVURJKSA-N 436.394 5.325 30 10 IKEE CCN(c1cc(Br)ccc1C#N)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2174814717 KRRGLBJNBCLGFR-JWTNVVGKSA-N 434.378 5.078 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C(=O)C#Cc2ccccc2Br)cc1Cl 2227464367 SYYLMNYAHKHHQC-UHFFFAOYSA-N 434.717 5.684 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)c1cscc1OCc1ccccc1 2227493821 RUXSXVIBISXSJS-OAQYLSRUSA-N 426.379 5.792 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)cc(F)cc1Br 2233954896 IBFFDXDJFSZQDR-FUHWJXTLSA-N 445.348 5.075 30 10 IKEE COc1cc(Cl)c([C@@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)cc1Cl 2281483221 SKBOCKHVYMXVCV-MRXNPFEDSA-N 427.353 6.065 30 10 IKEE CCCCCCC[C@H](OCC(=O)O)c1cc(Br)c(Br)s1 2290916754 CAHZHTQMYFAUJG-NSHDSACASA-N 428.186 5.776 30 10 IKEE O=C1NC(=Nc2cccc(Cl)c2Cl)SC1=Cc1ccccc1Br 2313541670 TXWRIGVZTOCFIS-UHFFFAOYSA-N 428.138 5.648 30 10 IKEE O=C1C(=Cc2cccs2)SC(=Nc2nc(-c3ccccc3)cs2)N1c1ccccc1 2314544117 UFNGQDCODMTXLU-UHFFFAOYSA-N 445.594 6.680 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2cccc(F)c2)cc1 2318582103 RMHVSFYIYWTCHK-UHFFFAOYSA-N 447.495 5.091 30 10 IKEE Cc1cc(OCC=Cc2ccccc2)cc2c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O2 2321817835 YPLNYBKRDZHKLS-UHFFFAOYSA-N 437.322 7.010 30 10 IKEE Sc1nnc(CCc2ccccc2)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2321900024 INPUDFBOFXBWFF-UHFFFAOYSA-N 448.979 5.467 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(N(C)C)cc1)C3=O)CN(Cc1ccc(F)cc1)CO2 2322347601 ZNDIRWXDPBEKEF-UHFFFAOYSA-N 444.506 5.168 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2cccc(C)c2C)cc1 2322371189 QFADZDKRJSUYPV-UHFFFAOYSA-N 443.543 5.788 30 10 IKEE Cc1ccc(CCN2COc3c(cc4c(c3C)OC(=Cc3ccccc3C)C4=O)C2)cc1 2322436578 VYZRJDPBTCTVDC-UHFFFAOYSA-N 425.528 5.623 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)c4cc5cc(Cl)ccc5o4)c3C)C2=O)o1 2322851567 MSKSEUIWBNLDHI-UHFFFAOYSA-N 434.831 6.131 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3cc(C)ccc3C)c2)cc1 2323094482 YRIGAGZRLRPJAQ-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2)c(Br)c1OCc1ccccc1C 2323127258 DVSITXFWNDNBIG-UHFFFAOYSA-N 437.333 6.241 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2cccc(OC)c2)cc1OC 2323511225 DQTHDSYQDLQWFD-UHFFFAOYSA-N 445.515 5.180 30 10 IKEE Cc1cc(OC(=O)CCc2ccccc2)cc2c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O2 2323724277 UOJTYHUAAHBJGD-UHFFFAOYSA-N 440.539 6.447 30 10 IKEE CCOc1c(Br)cc(C=CC(=O)c2ccc(F)c(C)c2)cc1Br 2323969266 CYPWTEPMGXXEAQ-UHFFFAOYSA-N 442.122 5.954 30 10 IKEE CCn1cc(C=C2Oc3cc(OC(=O)CCc4cccs4)ccc3C2=O)c2ccccc21 2323974832 BCRIXFCAAZIWEJ-UHFFFAOYSA-N 443.524 5.877 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OCc1cc(C)ccc1C 2324140906 HTPHRITXWRNZGC-UHFFFAOYSA-N 436.551 7.330 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2cccc(C)c2)C3=O)cc1 2324378390 BIJUWURPKCKCAZ-LJQANCHMSA-N 427.500 5.634 30 10 IKEE CCCOc1c(OCC)cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc1[N+](=O)[O-] 2324518234 JNSHWHUAWKEGIF-UHFFFAOYSA-N 433.888 5.649 30 10 IKEE Cc1ccc(OCCCOc2cc(C)c3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2324545433 KHAZUZGBPTWAMH-UHFFFAOYSA-N 434.919 6.421 30 10 IKEE Cc1cc(OCc2nc(O)c3ccccc3n2)cc2c1C(=O)C(=Cc1cccc(Cl)c1)O2 2325204007 HMZXOTJPPDZSFX-UHFFFAOYSA-N 444.874 5.492 30 10 IKEE COc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2)cc1OC 2325481679 WFUNWHOKBOMGNG-UHFFFAOYSA-N 444.560 5.061 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC)c(OC(=O)[C@H](C)c3ccccc3)c2)cc1C 2325770726 XLLCDGLOJOJXQW-HXUWFJFHSA-N 444.527 5.926 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)c2ccccc2[N+](=O)[O-])c1 2325783483 WSLRDGVZFPHLLO-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE CCCSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1ccncc1 2325884090 GNLNPZJLTJZPDV-UHFFFAOYSA-N 431.565 5.222 30 10 IKEE CCc1nnc(SCc2cccc(F)c2)n1N=Cc1cc(Cl)c(O)c(Cl)c1 2326731199 MZGYTUZJZOIVNE-UHFFFAOYSA-N 425.316 5.167 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CCCOc2ccc(C)cc2)nnc1SCC 2327177439 SIUCCCRZRPLALN-UHFFFAOYSA-N 436.581 5.157 30 10 IKEE CCCCC1CCC(c2nnc(SCc3cccc(C)c3)n2N=Cc2ccco2)CC1 2328133574 YBGOADNCTCFTIC-UHFFFAOYSA-N 436.625 6.818 30 10 IKEE CCSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1ccc(C(F)(F)F)cc1 2328784538 IBNUWADAKTVGEB-UHFFFAOYSA-N 434.487 5.487 30 10 IKEE C=C(C)CSc1nnc(COc2cccc(C)c2C)n1N=Cc1cccc(Cl)c1 2328846821 SBBOTCQRDLOCNW-UHFFFAOYSA-N 426.973 5.678 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2N=Cc2cccs2)cc1 2329249704 MVJLZMQXVRJFFU-UHFFFAOYSA-N 438.553 5.253 30 10 IKEE CCCSc1nnc(Cc2ccccc2F)n1N=Cc1cccc(Br)c1 2329761595 ADQARVLJRAFKOI-UHFFFAOYSA-N 433.350 5.155 30 10 IKEE CCCSc1nnc([C@H](C)c2ccccc2)n1N=Cc1ccc(Br)cc1 2330122109 SDBRPBAZXSARFU-OAHLLOKOSA-N 429.387 5.577 30 10 IKEE Clc1ccc(CSc2nnc(CC3CCCCC3)n2N=Cc2ccco2)c(Cl)c1 2330296227 XVBBDLWOZOIMJM-UHFFFAOYSA-N 449.407 6.475 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(-c2cccs2)n1N=Cc1ccccc1 2330592010 NHSZALRNGVIOCC-UHFFFAOYSA-N 445.400 6.488 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2cccc(C)c2)cc1 2330646929 LZIDHTUPVWYLRU-UHFFFAOYSA-N 441.560 5.175 30 10 IKEE CSCCCC(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1Cl 2330684641 SDMHIFROARIDRU-UHFFFAOYSA-N 428.981 6.164 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccccc3CC)c(Cl)c2)cc1 2330743901 PLTFRCUKMZIBGN-UHFFFAOYSA-N 448.946 6.345 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCSC)c(Br)c2)cc1 2330748032 SHAFACBROSFCKP-UHFFFAOYSA-N 447.394 5.956 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(OC)cc3)c([N+](=O)[O-])c2)cc1 2330749877 WCQWSWLNMIGXRN-UHFFFAOYSA-N 431.444 5.281 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)c1ccccc1 2331150042 ZVPDQKCIDQSUHP-UHFFFAOYSA-N 441.310 6.507 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCc3ccccc3C)nnc2-c2ccco2)cc1 2331174268 BMMZDMNGELJVAJ-UHFFFAOYSA-N 446.576 6.200 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)CC12CC3CC(CC(C3)C1)C2 2331180239 LLUSUGOJLBJODO-UHFFFAOYSA-N 444.571 6.493 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3Cl)c([N+](=O)[O-])c2)c(C)c1 2331225515 GSQHDKMHGYSIGG-UHFFFAOYSA-N 449.890 5.909 30 10 IKEE O=[N+]([O-])c1cc(C=Nn2c(SCc3cccc(F)c3)nnc2C2CCC2)ccc1Cl 2331500554 WBYSFJFAFQEZOK-UHFFFAOYSA-N 445.907 5.421 30 10 IKEE CCc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CCC2)cc1 2331535577 XABRSDYQWFTLOL-UHFFFAOYSA-N 426.589 6.436 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(SCc2cccc(Cl)c2)nnc1C1CCC1 2331541654 UNZRXJWTSVKIPS-UHFFFAOYSA-N 441.000 6.161 30 10 IKEE CCCCOc1ccc(C=Nn2c(COC)nnc2SCc2cc(C)ccc2C)cc1 2331577696 ADEJEIKLOWKZMC-UHFFFAOYSA-N 438.597 5.395 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)[C@H](C)c1ccccc1 2331779672 ALWBQZDKIJJZIM-JOCHJYFZSA-N 442.555 6.616 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C)c(OC)cc3C)cc2OC)cc1 2331854647 JDIOMAQPHGXRLC-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(C=CC(=O)c2cc(Cl)ccc2OC)cc1 2331871431 LNJZMCYAOFRNGS-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE CC#CCN(C[C@@H](NCCC)c1cc(C)cc(Br)c1F)C(=O)OC(C)(C)C 2363127752 BTCXAWHWFWHQGZ-GOSISDBHSA-N 441.385 5.198 30 10 IKEE Cc1ccc(OCc2ccc(B3OC(C)(C)C(C)(C)O3)c(Br)c2)c(Cl)c1 2377305416 UVUJVGDUKGEYNP-UHFFFAOYSA-N 437.570 5.289 30 10 IKEE C=C(C)COc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc3c(c1)c1ccccc1n3CC)N2 13642940 DDLSFWQYCHTJTL-RVVHDCIOSA-N 434.583 7.596 30 10 IKEE CO/C(=N\[C@@H](NC(=S)Nc1ccc(C)cc1)C(Cl)(Cl)Cl)c1ccccc1 15774712 LCRUATFDLCXSNI-VBHMAFOESA-N 430.788 5.071 30 10 IKEE O=C(Nc1ccc(Cl)c(Cl)c1)N1C(/N=C(\O)c2ccccc2)=N[C@@H]2CCCC[C@H]21 17097384 RGKZSIHTECTEAU-QZTJIDSGSA-N 431.323 5.513 30 10 IKEE COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(N(C)C)cc1 20886394 ZBFQKBQRSMLCJU-VKGTZQKMSA-N 439.559 5.741 30 10 IKEE CCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)cc1 21252473 HSWJGNBPKXSFBN-UZTOHYMASA-N 428.507 6.204 30 10 IKEE CCCOc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccc(C)cc1)C2 21256545 SOPDDOPYQDWSTE-PBBNMVCDSA-N 438.571 6.763 30 10 IKEE CCc1ccc(NC(=O)CN2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)cc1 21355744 XFARLUOGFIBODQ-MHZLTWQESA-N 441.531 5.461 30 10 IKEE Cc1ccc(N/C(=N/C(=O)c2cccc(Cl)c2)NCCc2c[nH]c3ccccc23)c(C)c1 32943053 VTYZZSIVAWWSPQ-UHFFFAOYSA-N 444.966 5.879 30 10 IKEE C=CCNC(=O)c1csc(-c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)n1 34712589 FZYWFYOZFWNXJK-UHFFFAOYSA-N 449.359 5.620 30 10 IKEE CN(C)c1ccc(/C=C2\S/C(=N/c3cccc(C(=O)O)c3)N(C3CCCCC3)C2=O)cc1 39866859 CTUPRIGJQDVAQJ-INCSMEFSSA-N 449.576 5.388 30 10 IKEE CCOc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1 59535684 OISDJJMMUZORAP-ZVHZXABRSA-N 425.872 5.672 30 10 IKEE CCCCCCCOc1ccc(CNCC2CCCCC2)c(OCCCCCCC)c1 100045844 ZMTIEAXVAYRGLU-UHFFFAOYSA-N 431.705 8.055 30 10 IKEE CCCCCCCOc1cccc(NC(=S)NC(=O)c2ccccc2OCCC)c1 100246711 MMKXNHZEVNPVKZ-UHFFFAOYSA-N 428.598 5.951 30 10 IKEE CCCCCCCCCCCCCC(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1 100442357 UNMAVYVRUNLQDC-UHFFFAOYSA-N 428.661 7.198 30 10 IKEE Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1/C(=N\Nc1ccccc1)CC(C)(C)C2 101108962 GYZORFQUKVGYMB-SXBRIOAWSA-N 437.543 6.782 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(N[C@@H](C)CC)c1[N+](=O)[O-] 101479459 PANYDLABQLIMQC-NRFANRHFSA-N 435.657 7.488 30 10 IKEE COc1cccc(N/C=C\c2nc3c(c(-c4ccccc4F)c2C#N)C(=O)c2ccccc2-3)c1 102655546 XMJADWCYIUFSKA-YPKPFQOOSA-N 447.469 6.062 30 10 IKEE CCCCCCCCN(CCCCCCCC)C(=O)c1sc2ccccc2c1Cl 104777763 XEWNOCXVTUTXMF-UHFFFAOYSA-N 436.105 8.718 30 10 IKEE CCCCCCCCCCOc1ccc(NC(=O)NCCCP(=O)(OC)OC)cc1 105425228 ORDVTNZUCPHAJJ-UHFFFAOYSA-N 442.537 6.204 30 10 IKEE CCCCCCCCCCCCCCCCC[C@@H]1Nc2ccccc2N1Cc1ccccc1 111488425 AJATUGKHKMBOFD-WJOKGBTCSA-N 448.739 9.706 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(OCc3ccccc3F)cc2)NC(=S)N1C 169935399 UOKIIUKNDGWIAJ-DEOSSOPVSA-N 446.547 5.423 30 10 IKEE COc1ccc(-c2csc(N/N=C\c3cc(Cl)c(OC)c(Cl)c3OC)n2)cc1 169941690 KFYHZBZMFYPHIR-AFPJDJCSSA-N 438.336 5.589 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cccc(C)c1 169967263 HVDPHKBPWMJAIT-XMMPIXPASA-N 445.490 5.230 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccs1 169984690 RCEINTUIBCCYEO-IBGZPJMESA-N 427.884 5.632 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2ccncc2)c1 170018826 IKBAGJRDGXTDJT-QFIPXVFZSA-N 432.907 5.443 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(OCC)cc2)cc1 170028951 FQZZPPVVFUZSNX-XMMPIXPASA-N 443.499 5.267 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2ccc(OC)cc2)=C(N2CCCCC2)C1=O 170029866 MIIIFIYWKJVUSS-UHFFFAOYSA-N 426.601 5.402 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C2CCCC2)cc1 170116981 PVDRHLMJEAGJIM-DEOSSOPVSA-N 431.532 5.095 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1C1CCCCC1 170123617 GKCPOISYPHDXDW-HSZRJFAPSA-N 430.504 5.088 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2cccs2)cc1OC 170158349 IDSHAXBYHGBWRC-QFIPXVFZSA-N 449.528 5.165 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccs2)cc1C 170161231 JMHADQSUBGGSBB-JOCHJYFZSA-N 444.512 5.110 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@H]1c1ccccn1 170171962 BTFMUWKCVNZKGC-QHCPKHFHSA-N 442.515 5.107 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@H]1c1cccc2ccccc12 170220843 BRYWBVXKTCLOMS-HSZRJFAPSA-N 449.934 5.880 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@@H]1c1cccc2ccccc12 170221252 SACAMTTXQSAOTO-DEOSSOPVSA-N 429.516 5.454 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(F)cc2)cc1 170238622 RRJHJMPDBWLSKN-QHCPKHFHSA-N 449.453 5.535 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(C(C)C)cc2)cc1C 170246306 WSYNIWQDJWXSSU-VWLOTQADSA-N 447.575 6.038 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1c1ccc(F)cc1 170271210 FNRLUSMPGCETMI-XMMPIXPASA-N 445.490 5.704 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2cccc(Cl)c2)o1 170303609 KBUBFFJJZLOXBW-FPTDNZKUSA-N 449.890 5.348 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2sccc2C)c1 170314402 IUFMAMCGQDYKKH-ZHRRBRCNSA-N 445.540 5.471 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccccc2OC)c1 170332876 ZKGZIGKIGOIHCA-QFIPXVFZSA-N 449.528 5.328 30 10 IKEE CSc1ccc([C@@H]2[C@H](C(=O)C(C)(C)C)N3C=Cc4ccccc4[C@H]3C2(C#N)C#N)cc1 229809227 LHQXQIFPZWYZJA-ZLNRFVROSA-N 427.573 5.551 30 10 IKEE CCOc1ccc(-c2nc3cc(N=Cc4cc5c(cc4[N+](=O)[O-])OCO5)ccc3o2)cc1 252594797 BUOBPTIRIAHSKR-UHFFFAOYSA-N 431.404 5.281 30 10 IKEE C=CCn1c(SCC(=O)OCCCCCC)nnc1-c1ccc(Br)cc1 253575984 VGTTWCGFXUNGAT-UHFFFAOYSA-N 438.391 5.109 30 10 IKEE C=C1SC(=Nc2cccc(OC)c2)N(C(=O)c2c(F)cccc2F)C12CCCCC2 254556434 PNAWPTPDCQXDPU-UHFFFAOYSA-N 428.504 6.067 30 10 IKEE CCOC(=O)c1c(-c2ccccc2)csc1N=Cc1c(O)ccc2oc3c(c12)CCCC3 254607794 WCYAVJNHHMCZKO-UHFFFAOYSA-N 445.540 6.673 30 10 IKEE CSc1nnc(-c2ccco2)n1N=Cc1ccc(COc2cc(C)c(Cl)c(C)c2)o1 254738331 UWQGHWNIPWWCEW-UHFFFAOYSA-N 442.928 5.584 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)cc1)NCCC 406439175 JVKWHVUHMMUIPU-RBUKOAKNSA-N 425.411 5.219 30 10 IKEE C=C(C)[C@@H](NC(=O)c1cc(O)nc2ccc(Br)cc12)c1ccc(F)c(F)c1 475676003 XQIITCJDXHQLMV-LJQANCHMSA-N 433.252 5.028 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1ccc(C(F)(F)F)cc1 526803379 WZWQGXJTKSARPP-ZMFRSBBQSA-N 436.478 5.953 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1cn(C)c2ccccc12 526815165 POWBLSHEMPLWGT-MYKKPKGFSA-N 444.391 5.814 30 10 IKEE CCc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccc(OC)c(OC(C)C)c1 526816564 JNOSDJPIHMSHQW-CFRMEGHHSA-N 444.988 5.464 30 10 IKEE CCCOc1c(/C=N\n2c(CCC)nnc2SCc2cccc(F)c2)cccc1OC 526825372 UDWVRJSXGYLJLR-MYYYXRDXSA-N 442.560 5.342 30 10 IKEE C=C(C)CN(CCc1ccc(OC)cc1)S(=O)(=O)c1ccc(CCCCCC)cc1 586179482 CINQRWJSBDOMND-UHFFFAOYSA-N 429.626 5.628 30 10 IKEE CCCCS(=O)(=O)N(Cc1cccc(C#N)c1)c1ccc(OCc2ccccc2)cc1 586192293 LSZCFECOIHACSV-UHFFFAOYSA-N 434.561 5.274 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(CCCC#N)c2ccc(OCC)cc2)cc1 586209833 FWJYPZQNCILTEV-UHFFFAOYSA-N 428.598 5.707 30 10 IKEE C=CCCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1cc(Cl)ccc1OC 586258094 FOLJRWMVXQDZFZ-UHFFFAOYSA-N 443.952 5.912 30 10 IKEE C[C@@H]1C[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C 698373074 DDAJKCSFVYDHRT-KOSHJBKYSA-N 429.561 5.105 30 10 IKEE C=CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccc(Br)c(Br)c1 698949260 ZTOHFJBBMMPQAO-AWEZNQCLSA-N 430.140 5.199 30 10 IKEE C=CCc1cc(C=Nc2ccc(Br)c(Cl)c2)cc(OC)c1OCC(=O)O 1084428855 TUXNHMDTDZVWLA-UHFFFAOYSA-N 438.705 5.054 30 10 IKEE CC(=NNc1nc(S[C@@H](C)c2nnc(C(C)C)o2)n[nH]1)C12CC3CC(CC(C3)C1)C2 1084465857 AFCGBIAOQTUFAF-MPKHZURXSA-N 429.594 5.169 30 10 IKEE N#Cc1cccc(COc2ccc(NC(=O)c3cc(O)nc4c3CCCC4)cc2Cl)c1 1464760027 DPMAMUKLBIPUOO-UHFFFAOYSA-N 433.895 5.022 30 10 IKEE COc1cccc([C@@H]2N(Cc3ccccc3)CC(=O)N2N=C(C)c2ccc(Cl)cc2)c1 1565519501 VMYZJPARAUDTQL-RUZDIDTESA-N 433.939 5.116 30 10 IKEE C=CCOc1ccccc1CN(C(=O)c1ccc2nc(O)[nH]c2c1)c1ccc(C)c(C)c1 1616627658 VKSHMVIXOJCXCR-UHFFFAOYSA-N 427.504 5.297 30 10 IKEE CCN1C(=O)/C(=C(/C)c2ccc(Cl)cc2)SC1=Nc1nc(-c2ccccc2)cs1 1772735689 HVKIFOBCFKNBCR-NLEVOZIKSA-N 439.993 6.478 30 10 IKEE CCN1C(=O)/C(=C/c2cn(C)c3ccccc23)SC1=Nc1nc(-c2ccccc2)cs1 1772738457 PQPULIOAFATMMG-AFKZWVQSSA-N 444.585 5.926 30 10 IKEE CN1C(=O)/C(=C\c2c(Cl)cccc2Cl)SC1=Nc1nc(-c2ccccc2)cs1 1772740553 ZFCAHPJPNLEDFV-PWSGBSGUSA-N 446.384 6.351 30 10 IKEE Fc1cccc(NC(=S)N/N=C\c2cn(-c3ccc(Cl)cc3)nc2-c2ccccc2)c1 1857811400 SQOKITZWWGRINF-WGARJPEWSA-N 449.942 5.652 30 10 IKEE CCCCCCCCCCN1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)SC1=S 1858586738 RAUMACNDWWLILB-NBVRZTHBSA-N 430.466 7.335 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)c1ccc(Br)cc1 1861335254 CUSFXQTUIAAOSD-IBGZPJMESA-N 425.411 5.214 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(-c3ccccc3)cc2)n(Cc2ccccc2)n1 1862378438 KDFLHOHOCBYDPF-UHFFFAOYSA-N 433.555 6.080 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1)c1ccc(Cl)cc1Cl 1862379569 FKLDCPDRLRMVAL-NRFANRHFSA-N 438.310 5.772 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(C(C)(C)C)cc1 1862382798 KPXSNBOSLWISHX-FQEVSTJZSA-N 444.358 6.055 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccccc2)cc1OCCC 1862425489 YKLWYEDDZCLVFP-QHCPKHFHSA-N 435.520 5.005 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@H]2c2ccc(F)cc2)cc1 1862430116 CIQYQRIEQFOHDW-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CC2)cc1 1862438945 SASGXNYCMOGDSC-QFIPXVFZSA-N 439.939 5.650 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccccc2)c1 1862447970 ZULGYXDNYFOSEW-HSZRJFAPSA-N 447.918 5.517 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCC(C)C)cc1 1862450926 SEBLMIURPAWBDB-JOCHJYFZSA-N 441.955 5.753 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc2c(c1)CCCN2C 1862452035 SIOAVZKEUPVWQZ-QRQCRPRQSA-N 438.955 5.099 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@H]1c1ccccc1)c1c(F)cc(F)cc1F 1862456272 OMZRSTPUAGIZER-NRFANRHFSA-N 441.380 5.022 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccc(Cl)cc2)cc1 1862474779 UXCCDHAEUQPRQY-XMMPIXPASA-N 445.946 5.989 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(C)cc1 1862486838 MIFOMBYWYCIAAD-DHLKQENFSA-N 433.592 6.549 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccc(F)cc2F)c1 1862490970 IXAHBVMBDXIRTE-DEOSSOPVSA-N 447.481 5.669 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(F)cc1F 1862503438 XRPZJUSOBHGXCT-NRFANRHFSA-N 431.454 5.571 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCC(C)C)c1 1862506832 WJQRFSVJNWEYRV-QFIPXVFZSA-N 425.500 5.157 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 1862531256 JSBSBZLFCUKJRI-DEOSSOPVSA-N 431.576 6.067 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1c(F)cccc1Cl 1862549094 IAJSGZLZUCZCJQ-PEBXRYMYSA-N 441.930 5.735 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862550091 CRRSPQNKMOVWIZ-BVZFJXPGSA-N 447.575 5.731 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccccc1Cl 1862561077 PQKLFIMODBLEGI-XMSQKQJNSA-N 440.971 5.859 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2)cc1 1862617333 YBYKHTGXUXSTGK-HSZRJFAPSA-N 426.516 5.158 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc2cc[nH]c2c1 1862617677 ZCWRMMVRLVSHPJ-QHCPKHFHSA-N 430.548 5.700 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2cc(Cl)cc(Cl)c2)cc1 1862690846 VAAOZRGBKLUWKL-FQEVSTJZSA-N 448.346 5.626 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1Br 1862719370 NPUVCRPRSNKNCU-NRFANRHFSA-N 448.316 5.367 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(Cl)cc1 1862726064 XXHPAKKPIYTAJA-HSZRJFAPSA-N 431.919 5.994 30 10 IKEE CCCn1cc(OCc2cccc(C)c2)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870168133 UJTFJHJOZOYJBT-UHFFFAOYSA-N 447.604 5.630 30 10 IKEE C=CCOc1cn(CCc2ccc(C)cc2)c(CSc2ccc(Cl)cc2)cc1=O 1870244232 GFBYFOLCBWOVBJ-UHFFFAOYSA-N 425.981 5.910 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2)c(CNc2ccccc2C(C)C)cc1=O 1870833805 UNJQQCVNJCHYDF-UHFFFAOYSA-N 446.635 6.981 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(C)cc2)c(CNc2ccc(CC)cc2)cc1=O 1870839542 OVAJDELXQFMNBN-UHFFFAOYSA-N 446.635 6.729 30 10 IKEE C=CCn1cc(OCc2c(F)cccc2Cl)c(=O)cc1CNc1ccc(OC)cc1C 1871089314 FRMDHABTTNWQOL-UHFFFAOYSA-N 442.918 5.335 30 10 IKEE CCCCC[C@@H](CC)N1COc2ccc3c(c2C1)O/C(=C\c1ccc(C(C)C)cc1)C3=O 1871347518 DWBIRXURXWTEKC-JMTCZITHSA-N 433.592 6.937 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN([C@@H]2CCCC[C@H]2C)C4)c1 1871351317 UMJLATCJXAWEOB-VOMFCJEISA-N 449.547 5.359 30 10 IKEE CCc1ccc([C@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2ccc(F)cc2)C4=O)cc1 1871354066 FYYDAHWHLMMJTR-MQKZQLNTSA-N 429.491 5.917 30 10 IKEE COc1ccc([C@@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2ccccc2C)C4=O)cc1 1871354405 PNXHSCLSOIQUQS-DBXOKZBGSA-N 427.500 5.533 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc(OC(=O)C(Cl)(Cl)Cl)c3C)C2=O)cc1 1871366072 QPWIMFMBIVUZJM-YBEGLDIGSA-N 441.694 5.286 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)CCc4ccc(Cl)cc4)cc(C)c3C2=O)cc1 1871368704 OWJYJWVYCDBHAW-UCQKPKSFSA-N 432.903 6.111 30 10 IKEE Cc1c(OC(=O)c2ccc(F)c(F)c2F)ccc2c1O/C(=C\c1cccc(F)c1)C2=O 1871370636 WLIXDUDJZNYGTN-ZDLGFXPLSA-N 428.337 5.387 30 10 IKEE CCCOc1ccccc1/C=C/C(=O)Oc1ccc2c(c1)O/C(=C\c1ccncc1)C2=O 1871376117 UTQBJJWEYLHMAS-IRDHKZPBSA-N 427.456 5.105 30 10 IKEE CCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871379348 CRBVPUCPQFMHJM-XPGPHDSVSA-N 444.458 5.768 30 10 IKEE Cc1c(OC(=O)COc2ccc(Cl)cc2)ccc2c1O/C(=C\c1cccs1)C2=O 1871381537 ZMRGCCQIICEFEX-ODLFYWEKSA-N 426.877 5.311 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCCCOc4ccc(Cl)cc4)c3C)C2=O)cc1 1871405773 PSYREDBYROUGBT-JLPGSUDCSA-N 434.919 6.421 30 10 IKEE O=C1/C(=C/c2cccc(Cl)c2)Oc2cc(OC(c3ccccc3)c3ccccc3)ccc21 1871431962 VPLCWOGWCQAMMM-ONUIUJJFSA-N 438.910 7.125 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccccc4C(C)C)c3C)C2=O)c1 1871455916 CAJKLSUBYDFWNJ-MYYYXRDXSA-N 441.527 6.061 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(F)cc2)ccc2c1O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871456395 BXBZGUGXPQPDJW-OYKKKHCWSA-N 445.490 5.891 30 10 IKEE C=C(C)CN([C@H](CC)C(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1cccs1 1871949715 VAFGIDVHLVEWOO-MRXNPFEDSA-N 447.409 5.039 30 10 IKEE C=CCN([C@H](CCC)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(=O)(=O)CCCC 1872209813 NEXOXDOLGSMOKQ-XMMPIXPASA-N 442.625 5.387 30 10 IKEE C=CCNC(=O)c1ccc2nc(-c3ccc(OC)c(OCc4ccc(C)cc4)c3)[nH]c2c1 1872731464 VRQRSHUANQMMHQ-UHFFFAOYSA-N 427.504 5.042 30 10 IKEE N#C[C@H](C(=O)c1ccccc1Br)c1nc(-c2ccc3ccccc3c2)cs1 1872760441 ONFORRHOKUBILV-GOSISDBHSA-N 433.330 6.216 30 10 IKEE CCCCCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1 1872777511 PLWKHWRVSBPKDO-NRFANRHFSA-N 443.572 6.741 30 10 IKEE Cc1cc(CC(=O)[C@H](C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)ccc1F 1872779318 HATYHZMSJDRDMQ-QFIPXVFZSA-N 442.515 6.469 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)c3cccc(OCC(C)C)c3)n2)cc1C 1872788055 WECOLGGEFRKRIY-OAQYLSRUSA-N 434.561 5.960 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccccc2)=C(c2cc(F)c(F)cc2F)C1=O 1873058081 RCFZJMAWEJVQRF-UHFFFAOYSA-N 444.497 5.334 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCC)=C(c2cccc(Cl)c2Cl)C1=O 1873126990 SSOAGDYZSNVECP-UHFFFAOYSA-N 425.400 5.824 30 10 IKEE N#Cc1nc(-c2ccc(Br)o2)oc1N/N=C/c1c(Cl)cccc1Cl 1873462028 KIIPXPFXSBHLRO-IFRROFPPSA-N 426.057 5.322 30 10 IKEE CCCCCCCCN=c1nc2c(cnn2-c2ccccc2)c(Nc2cccc(Cl)c2)[nH]1 1873478314 RAYQQQWGSNXMEQ-UHFFFAOYSA-N 449.002 6.407 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(OCCCCCC)cc2)cc2c(NCCC)ncnc21 1873601415 YJFFNYUSFFWTFR-UHFFFAOYSA-N 435.572 5.651 30 10 IKEE Cc1ccccc1CSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccccc1 1874262594 GZOUZZYEDYBMOJ-CVKSISIWSA-N 448.979 5.993 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccccc1OC 1874278775 CJMQAZHYWRJYNA-ZVHZXABRSA-N 426.973 5.276 30 10 IKEE C=CCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1ccc(C(C)(C)C)cc1 1874296513 FDYCNNDGRVSKJJ-LFVJCYFKSA-N 435.553 5.235 30 10 IKEE C=CCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1cccc2ccccc12 1874296520 FKDLFLAGKWALMJ-LFVJCYFKSA-N 429.505 5.091 30 10 IKEE CCSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1cccc(Br)c1 1874326793 GMIYJTWBBZIPHW-WSDLNYQXSA-N 445.386 5.231 30 10 IKEE Oc1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCc2cccc(F)c2)cc1 1874377896 TWBMEGKYFWMANR-VULFUBBASA-N 436.487 5.027 30 10 IKEE Cc1ccc(CSc2nnc([C@H](C)c3ccccc3)n2/N=C/c2ccccc2O)cc1 1874391339 DJCNUHCMMLXCDS-DZTFFZQKSA-N 428.561 5.618 30 10 IKEE Cc1cccc(CSc2nnc([C@H](C)c3ccccc3)n2/N=C/c2cccc(F)c2)c1 1874394358 KNDNBSGTJBZJAC-BWJYWGHISA-N 430.552 6.052 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2ccccc2Cl)nnc1[C@@H](C)c1ccccc1 1874400155 JZAQJAUSPAHVIP-FQNOVECQSA-N 447.007 6.566 30 10 IKEE Fc1ccc(CSc2nnc(Cc3cccs3)n2/N=C/c2cccc(F)c2)cc1 1874410551 ZLCCMYMWPPKQPW-ZMOGYAJESA-N 426.517 5.383 30 10 IKEE CCSc1nnc(Cc2ccccc2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874417485 LWCPECUJKUVMHA-NLRVBDNBSA-N 428.561 5.442 30 10 IKEE COc1cccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2Cl)c1 1874418179 CKPKOHALNSRSOO-WGOQTCKBSA-N 448.979 5.705 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2cccs2)cc1 1874421475 NPMJDDMYCQNNLB-LPYMAVHISA-N 435.534 5.398 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2ccc(N(C)C)cc2)cc1 1874425484 LMMZEUJLOFATBV-YZSQISJMSA-N 427.577 5.494 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2C2CCCC2)cc1 1874455832 MZGMEEYAEDCUTQ-NHFJDJAPSA-N 448.636 6.332 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2C(C)(C)C)cc1 1874483567 BQOXBIBUGMDGTE-YZSQISJMSA-N 435.641 5.905 30 10 IKEE COC(=O)c1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C(C)(C)C)cc1 1874485992 WKIGCTHPBIGYOP-ZMOGYAJESA-N 442.972 5.190 30 10 IKEE Cc1ccccc1/C=N/n1c(CC(C)C)nnc1SCc1c(Cl)cccc1Cl 1874490603 ZRMMPEYUBXYFAM-WYMPLXKRSA-N 433.408 6.266 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CCC2)cc1 1874496958 MXTBDBRXWAQZOK-AFUMVMLFSA-N 425.001 6.497 30 10 IKEE CC(C)c1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccccc1[N+](=O)[O-] 1874515018 MZLKTTJYGWCXBQ-ZVHZXABRSA-N 431.521 5.637 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C(C)C)cc1OC 1874515761 OVECFPFFKUEUFQ-FSJBWODESA-N 430.961 5.247 30 10 IKEE Cc1nnc(SCCc2ccccc2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874531457 KGAAZPWWKLXWIU-NLRVBDNBSA-N 428.561 5.383 30 10 IKEE CC(C)COC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(-c2ccccc2)cc1 1874570164 QLHJTPVXNLGMGT-WYMLVPIESA-N 448.946 6.481 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)N(CC)CC)cc1 1874580004 SKBHZVNNRSMSHX-UKTHLTGXSA-N 429.944 5.272 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1)c1cccc2ccccc12 1874583344 JLSHHIVBSWOCPI-GXDHUFHOSA-N 433.334 7.622 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccccc2)c1 1874585853 IROURGJGOJBFPB-JQIJEIRASA-N 445.515 5.398 30 10 IKEE Cc1ccccc1COc1ccc2ccccc2c1/C=C/C(=O)c1c(C)c(C)cc(C)c1C 1874587172 YYHDLBZMOJIVSP-FOCLMDBBSA-N 434.579 7.857 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3cc(C)cc(C)c3)c2)cc1OC 1874594238 ZSRPOQYQSZEHJJ-CSKARUKUSA-N 445.515 5.234 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(OC)c(OCc2ccccc2Cl)c(OC)c1 1874610096 ABWGYMPEQRHORX-OUKQBFOZSA-N 438.907 5.841 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2)c(Br)c1)c1cccc(Cl)c1 1874612392 RUTDTKWNJGDGTC-PKNBQFBNSA-N 427.725 6.578 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OCc1nc(O)c2ccccc2n1 1874613139 FDPDJPBNABWPSA-PKNBQFBNSA-N 446.890 5.473 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OCc1c(F)cccc1Cl 1874619964 BTJFUMUCSDTQJC-UXBLZVDNSA-N 428.862 6.410 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c1C 1874628935 DFFRFMDKTIHPSN-VGOFMYFVSA-N 431.507 5.973 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 1874629635 MWNVSPPBEOGJQU-FFXXTYGZSA-N 443.543 5.464 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OCC(=O)Nc2nccs2)cc1 1874635028 DKQIJHCSASGJEE-XYOKQWHBSA-N 434.561 5.663 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3F)cc2)cc1C 1874636627 KEWHKZJFMLIQTM-JLHYYAGUSA-N 433.479 5.365 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccccc3Cl)c2)cc1 1874694114 MBZYPKMONYKCJG-GXDHUFHOSA-N 434.919 5.955 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)c2)cc1 1874701634 CJUXVKPMEQBEJO-NTEUORMPSA-N 430.460 5.085 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OC(=O)COc2cc(F)ccc2F)c1 1874704750 YUUQINWPSGYNCB-JXMROGBWSA-N 438.426 5.162 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@@H](C)Oc3ccc(Cl)cc3)c2)cc1 1874709596 JCHMIPJBGWDICL-MERDRXRJSA-N 448.946 6.732 30 10 IKEE COc1cccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C(C)C)cc3)c2)c1 1874709872 MJOUQVBDZUQQDI-XNTDXEJSSA-N 430.500 5.699 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc(OC)c(OC)c3)c2)cc1C 1874717702 JWIBPJAVRQPOEE-PKNBQFBNSA-N 446.499 5.445 30 10 IKEE C=CCN(CC=C)CCC(=O)c1ccc(NC(=O)CCCOc2ccc(CC)cc2)cc1 1874751269 ALSCOWJQHOBFBY-UHFFFAOYSA-N 434.580 5.294 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(OC)c(OC(=O)[C@H](C)c3ccccc3)c(OC)c2)c1 1875103068 WEBALBJOHXEIAQ-KAUXGEHWSA-N 446.499 5.318 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3OC)cc2)cc1 1875106816 LZLYPHGFBQILSU-XSFVSMFZSA-N 442.555 6.472 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3cccs3)c(OC)c2)cc1C 1875107454 QSVYONVKOXLICX-VQHVLOKHSA-N 438.501 5.198 30 10 IKEE CC(C)(C)C(=O)Oc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 1875109816 GPSUFERUCDRXRB-ONNFQVAWSA-N 432.270 5.205 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1 1875156203 OPSYLPAHWNJUJT-MKMNVTDBSA-N 434.919 6.587 30 10 IKEE O=C(Cc1ccccc1[N+](=O)[O-])Oc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1Cl 1875158428 VZYQFZLPAYENRC-VZUCSPMQSA-N 439.826 5.432 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccnc2)c(Br)c1)c1ccc(F)c(F)c1 1875162248 DVQSXBKIBXSMQW-XVNBXDOJSA-N 444.231 5.238 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)c1cccnc1 1875183396 YPEZIVDFQZBAML-CMDGGOBGSA-N 449.934 6.174 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)CCc3cc(Cl)ccc3Cl)ccc21 1890677173 IBVLAJOZMNMCMV-UHFFFAOYSA-N 447.362 5.502 30 10 IKEE C[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)CN1C(=O)OC(C)(C)C 1900089537 SEMBLLIPBIDBLV-OYHNWAKOSA-N 435.952 5.373 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1Cc2ccccc2N1C(=O)OC(C)(C)C 1922076206 CSMQNJNYRYYCLP-RPBOFIJWSA-N 436.596 5.494 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C 1922094640 MYBQLMZNGXFSIL-RUZDIDTESA-N 436.596 5.798 30 10 IKEE CC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1938158429 XVMLQARPHGRAER-MAUKXSAKSA-N 437.968 5.525 30 10 IKEE CCCCCCCC[C@@H](N)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997454551 FEIDTKIVMRIGAE-ZEQKJWHPSA-N 432.649 5.908 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)C(C)(C)NC(=O)OC(C)(C)C)c1 2020516659 ASQLOXDTISEFDH-QHCPKHFHSA-N 433.549 5.022 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C12CC2 2070832332 LMJBZUQHDRPEFE-DEOSSOPVSA-N 445.535 5.393 30 10 IKEE CCCc1ccc([C@H](C2CC2)n2nc(C(F)(F)F)c(C=NO)c2Br)cc1 2079907386 HKAPKRALBOUTGN-OAHLLOKOSA-N 430.268 5.424 30 10 IKEE CCCCCC#CC[C@@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 2083432757 CUBADPUJGSDGGM-DQEYMECFSA-N 444.660 5.829 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)C1CC(C(F)(F)F)C1 2105184915 YKURLQFPCTZNRS-KOHJWAIASA-N 433.268 5.671 30 10 IKEE CC(C)C[C@H]1CNCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2149843181 NXVURISCCJYDSG-HRAATJIYSA-N 436.394 5.109 30 10 IKEE CC(C)C[C@@H]1CNCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2149843185 NXVURISCCJYDSG-IIBYNOLFSA-N 436.394 5.109 30 10 IKEE CCN[C@H](C#Cc1ccc(OC)cc1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2221918145 ZCLFCRPTQUSHFS-DEOSSOPVSA-N 436.596 5.242 30 10 IKEE C=CC[C@H](C)[C@@H](NCCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237408858 BTETVLJCYZJXAD-FFZOFVMBSA-N 439.438 5.465 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Cl)CN(Cc1ccccc1)C(=O)OC(C)(C)C 2245950238 GOBZHXODDDBCNR-JOCHJYFZSA-N 426.988 5.497 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)C1(NC(=O)OC(C)(C)C)CC2(CC(F)C2)C1 2260767275 BUGVWPBCAAKQTH-ZAJYRWFTSA-N 446.607 5.303 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)c1sccc1CNC(=O)OC(C)(C)C 2296309544 WZPSDEMZYSMAAR-GOSISDBHSA-N 449.414 5.238 30 10 IKEE CCCOc1ccc(C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)c2nc3ccccc3o2)cc1 2296696343 ABCRYPSTNJZXLR-UHFFFAOYSA-N 428.444 5.948 30 10 IKEE Cc1ccc(-n2c(NC(=O)C=Cc3ccccc3)c(C#N)c3nc4ccccc4nc32)cc1 2297453105 VDBKQFZDVAWQSD-UHFFFAOYSA-N 429.483 5.406 30 10 IKEE C=CCc1ccccc1OCCOc1ccc(C=C2SC(=S)NC2=O)cc1Cl 2297625035 JJETVQLONZOSPM-UHFFFAOYSA-N 431.966 5.015 30 10 IKEE C=C(C)C[C@@H](NCCC)c1sc(Br)c(Br)c1Br 2302871163 HKZUUBOUEREGAM-MRVPVSSYSA-N 446.046 6.043 30 10 IKEE Cc1c(OCc2ccc(Cl)c(Cl)c2)ccc2c1OC(=Cc1ccccc1F)C2=O 2321787478 XPFZOQFTUIRWIS-UHFFFAOYSA-N 429.274 6.636 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(Cl)cc1)O3)CN(CCOc1ccccc1)CO2 2322038193 ILGKIDUNUORTQF-UHFFFAOYSA-N 447.918 5.496 30 10 IKEE COc1ccc(OC)c(C=C2Oc3c(cc4c(c3C)OCN([C@@H]3CCCC[C@@H]3C)C4)C2=O)c1 2322391643 KFPCLAHVMHMLHM-KSFYIVLOSA-N 449.547 5.359 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OC)c2OCc2ccccc2Cl)c1 2322667164 DNNVBVDVHXDNGR-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)c1OCC(=O)NCc1ccco1 2322687710 ZPRTXNSVYGGVJL-UHFFFAOYSA-N 447.531 5.177 30 10 IKEE Cc1c(OC(=O)c2ccc(Cl)cc2)ccc2c1OC(=Cc1ccc3c(c1)OCO3)C2=O 2322698943 UHVFTGMGSRKASB-UHFFFAOYSA-N 434.831 5.213 30 10 IKEE Cc1cc(OC(=O)Cc2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1ccccc1Cl)O2 2322894412 FOCDGYDKWYETDY-UHFFFAOYSA-N 439.294 6.066 30 10 IKEE C[C@H](NC(=O)COc1cccc(C=CC(=O)c2cccc3ccccc23)c1)c1ccccc1 2323202984 GZGXEENRELIIOM-NRFANRHFSA-N 435.523 5.992 30 10 IKEE COC(=O)COc1c(Cl)cc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1OC 2323511317 NJGXVPKHXRWNDC-UHFFFAOYSA-N 429.683 5.103 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2sccc2C)C3=O)c1 2323896133 PPBWKGOSKZNZCT-UHFFFAOYSA-N 448.496 5.516 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCc3nc(O)c4ccccc4n3)c(Cl)c2)cc1 2323900440 NTBXGTQBTLUFTN-UHFFFAOYSA-N 430.891 5.772 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1cccc(Cl)c1 2324077562 GGWNDQDSSOVLPO-UHFFFAOYSA-N 434.963 7.121 30 10 IKEE CCCCN(CCCC)Cc1c(O)cc(C)c2c1OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2324080746 ZDSHGUCZAPNRGX-UHFFFAOYSA-N 449.635 7.017 30 10 IKEE COc1cccc(C=C2Oc3c(CN4C[C@@]5(C)C[C@H]4CC(C)(C)C5)c(O)cc(C)c3C2=O)c1 2324097680 UBXDIZICFSXFAF-GDJIYFAZSA-N 447.575 5.726 30 10 IKEE CCCOc1c(Br)cc(C=CC(=O)c2cccc3ccccc23)cc1OC 2324140817 VLNAXNOEOWFROI-UHFFFAOYSA-N 425.322 6.296 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(O[C@@H](C)C(=O)Nc3ccccc3)cc(C)c2C1=O 2324405801 BGVFSCCOJDUZJM-SFHVURJKSA-N 443.499 5.416 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)c1OCC(=O)N(CC)CC 2324451711 SQRYLKGEJJPWAI-UHFFFAOYSA-N 443.971 5.499 30 10 IKEE CC(=O)c1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2sccc2C)C3=O)cc1 2324989516 DNTJERIVGZFJQP-UHFFFAOYSA-N 447.512 5.201 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccccc3[N+](=O)[O-])c2)cc1 2325704109 JUGWAJJOEFDRCU-UHFFFAOYSA-N 445.471 5.210 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(OC(=O)C3CC3)c(OC)cc2Br)cc1 2325734333 LDPFDWQBKLQAOG-UHFFFAOYSA-N 445.309 5.068 30 10 IKEE CCCc1nnc(SCc2ccccc2)n1N=Cc1ccc(OC)c(OC)c1Cl 2326220735 FQTLPDXTPJDDSH-UHFFFAOYSA-N 430.961 5.076 30 10 IKEE N#Cc1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2cccc(F)c2)cc1 2326689132 NWUINKLNUYHHJV-UHFFFAOYSA-N 427.508 5.054 30 10 IKEE CCCc1ccc(OCc2nnc(SCCc3ccccc3)n2N=Cc2ccco2)cc1 2327378609 QBGWDHLGFLUFPX-UHFFFAOYSA-N 446.576 5.620 30 10 IKEE CCCSc1nnc(CCc2ccc(OC)cc2)n1N=Cc1ccc(C(F)(F)F)cc1 2328585109 JUGVBOURUILWTM-UHFFFAOYSA-N 448.514 5.475 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2N=Cc2cccn2C)cc1C 2329398076 MBOQHSDFOPYQCF-UHFFFAOYSA-N 433.556 5.138 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCCc2ccccc2)n1N=Cc1ccc(O)cc1O 2330115117 FXNYGBQWJDMEBJ-SFHVURJKSA-N 444.560 5.058 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccccn1 2330135661 POFBJRKOVPXJSC-KRWDZBQOSA-N 433.968 5.653 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3ccccc3c2)cc([N+](=O)[O-])c1OC(=O)CC(C)C 2330668104 ZVIMUNIDXADRGP-UHFFFAOYSA-N 447.487 5.994 30 10 IKEE CCOc1cccc(C=Nn2c(SCCc3ccccc3)nnc2-c2ccccc2)c1 2330676112 PCRMFYLRZLGXOI-UHFFFAOYSA-N 428.561 5.561 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)c1ccc2c(c1)CCCC2 2330680229 ICWDYHDDSQDNHE-UHFFFAOYSA-N 427.456 5.589 30 10 IKEE COc1cccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccccc2C)c1OC 2330808144 RWPWXFUNCROFRH-UHFFFAOYSA-N 438.597 5.367 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2F)n1N=Cc1cccc2ccccc12 2330845671 JZGPTAJXQSTDAY-UHFFFAOYSA-N 432.568 6.334 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1 2330961712 YCFGRFDWQVXLNP-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)c1cccc(Cl)c1 2331078050 QYGANAHWMGYDCF-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)[C@H]1C[C@H]1c1ccccc1Cl 2331183761 IQKVDISIVOSQPM-SFTDATJTSA-N 432.903 5.954 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc(OC)cc(OC)c3)cc2)cc1 2331188572 YSLRENPLVURFOY-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1N=Cc1cccc(C)c1 2331320537 BTVXMVLCSONXMR-UHFFFAOYSA-N 435.597 5.159 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)Oc3ccc(Cl)cc3)cc2)ccc1F 2331332876 XLYYVJZHPWDESW-QGZVFWFLSA-N 438.882 6.057 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2C(C)(C)C)cc1 2331360189 NERDYTXZQDZKGX-UHFFFAOYSA-N 436.625 6.237 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(F)c3)cc2)c1 2331555145 BZGLBFSRFWWKGI-UHFFFAOYSA-N 436.454 5.934 30 10 IKEE CC(C)c1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1ccc(C(C)(C)C)cc1 2331673565 VHGRRGZGEDRECL-UHFFFAOYSA-N 435.597 5.312 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2)c1 2331704840 OEZIWYRCXPGBCU-UHFFFAOYSA-N 428.528 6.273 30 10 IKEE C=CC[C@@H](Oc1nc2ccc(Br)cc2s1)[C@H]1CCN1C(=O)OC(C)(C)C 2335884145 PEJLAKCOIFHJFL-HUUCEWRRSA-N 439.375 5.392 30 10 IKEE CC[C@@H](N[C@H]1CN(Cc2ccccc2)C(C)(C)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363835549 DXTCHXAGBWAASP-JWQCQUIFSA-N 448.460 5.080 30 10 IKEE C[C@H](c1cccs1)N(Cc1ccccc1)Cc1ccc(C#CCO)c(Br)c1 2377436828 JIKLVDZGMOSLFO-GOSISDBHSA-N 440.406 5.618 30 10 IKEE Cc1[nH]c2ccc(Cl)cc2c1CC/N=C(\S)Nc1ccc(OC(F)(F)F)cc1 16977227 BSHOGHKHSCCABH-UHFFFAOYSA-N 427.879 5.969 30 10 IKEE COc1cccc(/C=C2/CN(Cc3ccccc3)C/C(=C\c3cccc(OC)c3)C2=O)c1 33681921 AIQWHIYOLDHKFR-WJVNUPORSA-N 425.528 5.256 30 10 IKEE CCN(CC)[C@H](CNc1oc(-c2ccccc2[N+](=O)[O-])nc1C#N)c1ccc(C(C)C)cc1 40374033 NDIOAHYFNVEOSK-HSZRJFAPSA-N 447.539 5.740 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccccc3OC)CO4)C2=O)cc1 41656158 VSLBKEHVPCHOHR-QFEZKATASA-N 443.499 5.062 30 10 IKEE N#Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2)c1 59263370 OFYLKABPHDOHRM-UHFFFAOYSA-N 445.935 5.190 30 10 IKEE C=CCSC1=N/C(=C\c2ccc(C(F)(F)F)cc2)C(=O)N1c1ccc(OCC)cc1 96448877 XLCMABIRQLBQIG-RGEXLXHISA-N 432.467 5.767 30 10 IKEE CCCCCCCCOc1ccc(/C=C2\N=C(/C=C\c3cccc([N+](=O)[O-])c3)OC2=O)cc1 100168192 TWAURIMGBNRVSE-VLXIVUMVSA-N 448.519 6.344 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1cccc(O[C@H](C)CC)c1 100444059 FLMXHTBQCLZFGR-OAQYLSRUSA-N 434.690 7.378 30 10 IKEE CCCCCCCCCCCCCCCc1ccc(OC[C@H](O)CN2CCNCC2)cc1 100890638 SIEOWLKLQKITPC-HHHXNRCGSA-N 446.720 5.965 30 10 IKEE CCOC(=O)C1=C(Nc2ccc(Cl)cc2)S/C(=C\c2ccc(OCC)cc2)C1=O 101441773 RVVCUTSUDHDJGC-AQTBWJFISA-N 429.925 5.282 30 10 IKEE CCCCCCCCCCCCn1c(CNC(=O)c2ccccc2OC)nc2ccccc21 102218128 FZBZJMNHNNWNDL-UHFFFAOYSA-N 449.639 6.896 30 10 IKEE N#CC1(C#N)[C@H](c2ccccc2)[C@H](C(=O)c2ccccc2)N2c3ccc(Cl)cc3C=C[C@H]21 169616358 VMZONVWPTOGZEA-ISJGIBHGSA-N 435.914 5.624 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccccc2OC)cc1 169944104 LWZGJZZSMWJNMC-VWLOTQADSA-N 441.527 5.657 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)CCc2ccccc2)=C(O)C(=O)N1c1ccc(C)cc1 169944953 HREPDDJDDIBQLT-RUZDIDTESA-N 427.500 5.106 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccc(O)cc2)cc1 169958857 OUJJLQPSNBDOMS-XMMPIXPASA-N 427.500 5.354 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@]2(C=C(B3OC(C)(C)C(C)(C)O3)c3ccccc3O2)CC1 170023253 MYWAKBYNAISWEY-RUZDIDTESA-N 441.377 5.254 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc3ccccc23)cc1 170045424 JVKWUKKWNBKZAA-VWLOTQADSA-N 437.495 5.774 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C2CCCC2)cc1 170117114 LKXJGPKCHXEMGB-DEOSSOPVSA-N 427.500 5.369 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(N(C)C)cc2)c1 170129827 ZPMRVJFBJZBQDW-DEOSSOPVSA-N 448.563 5.062 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2)[C@@H]1c1cccc(OC(C)C)c1 170153143 UHFAAAPVFUALCW-QHCPKHFHSA-N 437.536 5.251 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccccn2)ccc1Cl 170170047 YXKSOTDLODMKOX-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccccn2)ccc1Cl 170172651 AWCICQDLDQTEBW-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2c(OC)cccc2OC)[C@@H]1c1cccc2ccccc12 170220866 XKFMWNARQWHQLP-DEOSSOPVSA-N 445.515 5.235 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccccc2)cc1Cl 170228089 HHHMNQJGFQDNMB-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(Cl)cc1 170235488 KLWVSSLECKZEGX-OAQYLSRUSA-N 437.879 5.029 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C2CCCC2)cc1 170246297 OQSRXLGKXYBMBT-AREMUKBSSA-N 439.555 6.484 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccc(O)c2)c1 170259092 UZNJFEDEZISGQE-QFIPXVFZSA-N 449.890 5.227 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@H]1c1ccc(CC)cc1 170267878 QWUSCUQSYWEYRB-OAQYLSRUSA-N 427.928 5.289 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccco2)cc1 170284639 XQJDSNNANORAGC-HSZRJFAPSA-N 425.440 5.224 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccco2)c1 170296659 LJPCCBWTZQFUAQ-HSZRJFAPSA-N 449.478 5.027 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(C)cc4)[C@H]3c3ccc(C)o3)oc12 170303958 SAFPDHWHCZRMGN-QFIPXVFZSA-N 443.455 5.434 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2Cc2ccncc2)o1 170307914 SIUHJRPJTVCRHJ-LJQANCHMSA-N 443.286 5.068 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc(OCCC)c1 170323415 IRBPIHHBXRCURE-RUZDIDTESA-N 443.543 6.007 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(OCC(C)C)cc2)c1 170349798 OKOJFUZCGPSZIE-QHCPKHFHSA-N 447.556 5.874 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(OC)c(OC)c2)cc1 170391039 YODMJNGGTXDELE-QFIPXVFZSA-N 449.528 5.111 30 10 IKEE O=[N+]([O-])c1cccc(-c2ccc(C=NNc3ncnc4scc(-c5ccccc5)c34)o2)c1 254440159 FNRUVQPSEKXRTD-UHFFFAOYSA-N 441.472 5.973 30 10 IKEE C=C(CC[C@@H](C)[C@@H]1[C@H](O)C[C@@H]2[C@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 257549903 TYAFBMTZMSJDIO-NMERMHAFSA-N 430.673 5.496 30 10 IKEE CCCN[C@H](CC#CC(C)(C)C)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 407604381 KNNSWSKDEOCBLF-LJQANCHMSA-N 437.422 6.276 30 10 IKEE Cc1ccc(NC2=C(SCc3ccco3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1Cl 526645971 YGAMCUCWJUMGFC-UHFFFAOYSA-N 449.919 5.243 30 10 IKEE CCCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1ccc(Cl)cc1 526806203 QUXAKNXHGPOFTD-QQXSKIMKSA-N 441.044 6.746 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1ccc(O)c(OCC)c1 526809485 MEVSRFWLSKDGEN-MYYYXRDXSA-N 438.597 5.516 30 10 IKEE COc1ccc(OC)c(/C=N\n2c(C)nnc2SCc2c(Cl)cccc2Cl)c1 526814409 NRHVTYPATKWPOR-YVNNLAQVSA-N 437.352 5.085 30 10 IKEE C=CCCCN(C)C(=O)[C@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 609908811 XBFXIPXDUUJTNS-HNNXBMFYSA-N 427.595 5.110 30 10 IKEE COc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)cc1C 698448378 WMUTUTNPCSFDLO-GOSISDBHSA-N 431.330 5.773 30 10 IKEE COc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)cc1Br 698851719 AJBDTUDPIRUYBU-SFHVURJKSA-N 437.378 5.982 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@H](C#N)c1cc(Cl)ccc1Br 698866856 NUYRDMSKPGVKHS-MRXNPFEDSA-N 441.778 6.166 30 10 IKEE CC(C)[C@@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698908461 IDQYNZLZVYTRBX-UXHICEINSA-N 437.625 5.635 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@@H](C#N)c1cccc(Br)c1Cl 706527897 RRSILZCGYGRMSS-INIZCTEOSA-N 439.712 6.248 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@@H](NC(=O)OC(C)(C)C)C1 724031480 XYJDQMPQLGLTAD-MZNJEOGPSA-N 445.560 5.166 30 10 IKEE COc1ccc(-n2cc(/C=C3\COc4ccc(F)cc4C3=O)c(-c3ccc(F)cc3)n2)cc1 725328637 LLZMCZXOPNOECQ-LDADJPATSA-N 444.437 5.485 30 10 IKEE COc1cc(C=Nc2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cc(Cl)c1O 1084385190 LQJZTJBZWHJNOY-UHFFFAOYSA-N 447.000 5.808 30 10 IKEE COc1cc(C=Nc2ccc(Br)cc2)ccc1OCc1cccc(C(=O)O)c1 1084546504 JEOXETBEGNEULT-UHFFFAOYSA-N 440.293 5.486 30 10 IKEE CC(=O)O/N=C(\C)[C@]12C[C@@H]1C[C@@H]1[C@H]3CC=C4C[C@H](OC(C)=O)CC[C@@]4(C)[C@H]3CC[C@]12C 1565534846 GGQIDQJAIYDGEX-LNUTZQGGSA-N 427.585 5.436 30 10 IKEE C=CCCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCc2c(ccnc2O)C1 1722601789 VTEZLYUWNULKAL-HXUWFJFHSA-N 447.583 5.055 30 10 IKEE O=C1/C(=C\c2cccc3ccccc23)SC(=Nc2cccnc2Cl)N1c1ccccc1 1772733020 IVMRVTSJVHUEPY-WOIBEVDJSA-N 441.943 6.697 30 10 IKEE CCOc1ccc(/C=C2/SC(=Nc3cccc(C(=O)O)c3)N(c3ccccc3)C2=O)cc1 1772734762 GRJZKYFEYYXBFT-XKEFNESHSA-N 444.512 5.592 30 10 IKEE CCN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=Nc1nc(-c2ccccc2)cs1 1772737074 LVYNAAQSNLNGQC-JRRXTTBFSA-N 430.558 5.915 30 10 IKEE CC(C)(C)c1ccc(-c2nn(-c3ccc(C(C)(C)C)cc3)cc2/C=N\NC(N)=S)cc1 1857806667 HQUGSXOBLFISFK-DICXZTSXSA-N 433.625 5.301 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccccc2C)cc1 1862389380 DUFGIESQJZJBSU-HQCZVFHSSA-N 445.603 6.495 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@H]2c2cccc(OCC)c2)cc1 1862392906 IWUCLPCHZBENDH-DEOSSOPVSA-N 435.564 5.806 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862401588 FHDXKXLGRHUBKH-DEOSSOPVSA-N 449.547 5.313 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@@H]1c1ccccc1F)c1ccc(F)cc1F 1862411304 DOTKEWXQWUMPKG-JOCHJYFZSA-N 441.449 5.573 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862478098 YVDSTMQOXYIOSU-JOCHJYFZSA-N 428.513 5.316 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccc(F)cc2)c1 1862490233 QJFKWJTYKDYPNC-XMMPIXPASA-N 433.523 5.911 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CC(C)C)cc1 1862497626 PDUIZXUPSSOOLG-RUZDIDTESA-N 449.591 6.107 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2C2CC2)cc1OCC 1862541049 BRUWUXFHENNYRD-XMMPIXPASA-N 449.547 5.177 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)c1 1862543206 AOUZWEJLKWMKHS-YQIFXUADSA-N 443.587 6.031 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(CC)cc1 1862628083 VDWDEUMTOAVERX-QHCPKHFHSA-N 435.520 5.136 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cccc(Cl)c1)c1cccc2ccccc12 1862652279 FPHIWNKCDRMILW-QHCPKHFHSA-N 431.919 6.014 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2)cc1 1862673058 BFTQXTJDLKZUHC-OSPHWJPCSA-N 429.491 5.728 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2F)cc1 1862673505 LZXDCFLADSTNRH-UPCLLVRISA-N 447.481 5.867 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(Cl)c2)cc1 1862675776 TYXZSHOQWWIQRN-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1Br 1862681086 RFUXFBAPIKGYBJ-IBGZPJMESA-N 446.316 5.357 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2ccccc2C)cc1 1862687889 QZMIFURCYZQWIV-VWLOTQADSA-N 441.527 5.215 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2ccc(F)cc2F)cc1 1862691925 YWBSZZSUXYHIAP-QHCPKHFHSA-N 449.453 5.060 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(OCCC)cc1 1862697003 WTKOELHYUFXVGO-QHCPKHFHSA-N 437.536 5.253 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccc2ccccc12 1862728260 XGSVVGJEJHTTEI-HHHXNRCGSA-N 447.534 6.495 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccc(Cl)c1 1862751443 MPSWSJUOKWSRPD-HXUWFJFHSA-N 442.899 5.407 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(Cl)cc2)C1=O 1863173447 KZLFYLCVQRJXDK-INIZCTEOSA-N 427.891 5.165 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(OC)cc2)C1=O 1863331426 LDPMCKQRGMXPSJ-UHFFFAOYSA-N 431.536 5.119 30 10 IKEE CC(C)Oc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 1863357353 IUMZZLYYDNSLBQ-MBSDFSHPSA-N 443.547 5.116 30 10 IKEE CCCCCCCCNC1=C(c2cccc3ccccc23)C(=O)N(C[C@H]2CCCO2)C1=O 1863577386 DVZROBFGAVUNLU-OAQYLSRUSA-N 434.580 5.049 30 10 IKEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2CC)[C@H]1c1sccc1C 1864512511 WZXUJDQCSMNQPJ-LJQANCHMSA-N 444.645 5.007 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)c2cc(C)cc(Br)c2N)c1 1866210165 BCZAMSVAUICERW-UHFFFAOYSA-N 448.320 5.003 30 10 IKEE CC[C@](C)(NC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1ccccc1C#N 1866992947 BJARUVJUIVGPSH-OFNKIYASSA-N 446.378 5.528 30 10 IKEE CC(C)[C@@H]1c2[nH]cnc2CCN1c1cc(Nc2cccc(C#N)c2)nc(Cc2ccccc2)n1 1868201427 ZBNCLAAOGDDMAF-HHHXNRCGSA-N 449.562 5.166 30 10 IKEE Cc1ccc(-c2nc(Nc3cccc(C#N)c3)cc(N3C[C@@H](C)Cc4ccccc43)n2)cc1 1868313079 VSWACMJRTGBSBO-FQEVSTJZSA-N 431.543 6.398 30 10 IKEE COc1ccc2c(c1)CCN(c1cc(Nc3ccc(C#N)cc3)nc(-c3cccnc3)n1)[C@H]2C 1868576530 UXPZNRIMQPQIIG-SFHVURJKSA-N 448.530 5.286 30 10 IKEE Cc1ccc2nc(-c3ccc(-n4nnc(C#N)c4NC(=O)CC(C)(C)C)cc3)sc2c1 1870148835 CKDWDFYPJMLHHJ-UHFFFAOYSA-N 430.537 5.099 30 10 IKEE CCCCCCCOc1cn(CCC)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870252057 AZOCPNRJXTWUBE-UHFFFAOYSA-N 441.641 6.092 30 10 IKEE CCCCCCCOc1cn(CCCOCCCC)c(CN2CCC[C@@H](C)C2)cc1=O 1870408916 CTVGRBQZPMMOAD-HSZRJFAPSA-N 434.665 5.636 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OC(C)(C)C)c(=O)cc1CN1CCC[C@@H](C)C1 1870446022 QOSVPMVCAGNPDH-OAQYLSRUSA-N 448.648 5.161 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2)c(=O)cc1CN(CC)CCCC 1870468441 FJDQDTREDUIPAL-UHFFFAOYSA-N 426.645 6.410 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)cc2)c(=O)cc1CNc1cccc(C(C)(C)C)c1 1870861465 CYPBLYDWOQQHHE-UHFFFAOYSA-N 436.983 6.176 30 10 IKEE CCCCCCCCN=c1nc2c(cnn2C)c(Nc2ccc(C)cc2Br)[nH]1 1871295323 LSYJBGAIHFEKNK-UHFFFAOYSA-N 445.409 5.372 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc(C)c2C1=O 1871373719 GLUTYHHHLLZXMJ-FBHDLOMBSA-N 449.846 5.700 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1 1871387213 KGPJSZHVRFVRHE-HMAPJEAMSA-N 445.427 5.137 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(OC)c2)C3=O)cc1 1871387960 QXYDKGAEWRSHGK-JLPGSUDCSA-N 444.483 5.628 30 10 IKEE CCCC[C@@H](Oc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O)C(=O)O 1871422922 IKOLHUGVBLXXTJ-TXUMJUCDSA-N 428.484 5.992 30 10 IKEE CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1C)O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 1871434959 WPQVBWZFQRAKAO-RGNNIMSVSA-N 436.548 6.019 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(Nc2ccccc2)cc1)S(=O)(=O)CC 1872145427 PIAYXECQCABDQQ-QHCPKHFHSA-N 443.613 5.011 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccccc1CC)S(=O)(=O)c1ccc(Cl)cc1 1872472381 BKEZZGWHGQJNJK-QFIPXVFZSA-N 449.016 5.277 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NS(=O)(=O)c1c(C)cc(C)cc1C 1872613159 MJQWKIOOBGNLOD-QFIPXVFZSA-N 438.678 5.316 30 10 IKEE CCCOc1ccccc1N1CC(=O)C(c2nc(-c3ccc(OCC)cc3)c(C)s2)=C1N 1872726052 IAIZTZZVRZMMME-UHFFFAOYSA-N 449.576 5.023 30 10 IKEE C=CCNC(=O)c1ccc2[nH]c(-c3ccc(OCc4c(F)cccc4Cl)cc3)nc2c1 1872729699 ACEKKCIMGXYXRI-UHFFFAOYSA-N 435.886 5.517 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-n4cccc4)cc3)n2)cc1OC 1872761835 WUTJSOLWJGHKFK-LJQANCHMSA-N 429.501 5.108 30 10 IKEE CC(C)(C)c1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3Br)n2)cc1 1872772210 AYOZJEVWCWINPJ-QGZVFWFLSA-N 439.378 6.360 30 10 IKEE CCc1cccc(C)c1N1C[C@@H](C(=O)[C@H](C#N)c2nc(-c3ccc(F)cc3)cs2)CC1=O 1872775940 DVGAUMILFVRVTI-ICSRJNTNSA-N 447.535 5.049 30 10 IKEE Cc1cccc(C)c1OCCCC(=O)[C@H](C#N)c1nc(-c2ccc(C(C)C)cc2)cs1 1872776362 OCDCUMQKPNYZIZ-QFIPXVFZSA-N 432.589 6.586 30 10 IKEE COc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)cc1OC 1872778105 DDDRMZAUJSVIFB-AIADIJKESA-N 448.544 5.342 30 10 IKEE C=CCN1C(=O)C(NCCCCCC)=C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O 1873134011 LSZMPFJDVBXJCH-UHFFFAOYSA-N 448.407 5.160 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C)c2C)=C(c2c(C)cc(C)cc2C)C1=O 1873331484 MMZDMJXLZQNBSI-UHFFFAOYSA-N 446.635 6.781 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(C)c(C)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422527 BTRSUTRXBFDMDX-UHFFFAOYSA-N 425.532 5.089 30 10 IKEE Cc1ccc(-n2ncc(N/N=C/c3ccc(OCc4ccccc4)cc3)c(Cl)c2=O)cc1 1873525603 MTUCBQPNZXQMJV-JFLMPSFJSA-N 444.922 5.219 30 10 IKEE CCOc1ccc(/C=N/n2c(COc3ccc(C)cc3C(C)(C)C)nnc2SC)cc1 1874201586 JNNPGMSMZDYFDK-MFKUBSTISA-N 438.597 5.466 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1ccccc1F 1874203991 DUZCZRZNVFBWTF-FOKLQQMPSA-N 437.327 5.463 30 10 IKEE CCSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1ccc(OC)cc1 1874206160 NCPQWFVXKLXJCI-SSDVNMTOSA-N 437.352 5.167 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCC=C)n1/N=C/c1ccc(CC)cc1 1874228646 UPSKXVVQSCYAJD-KOEQRZSOSA-N 434.565 5.145 30 10 IKEE CCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccccc1OC(C)C 1874233215 WYBYENUBASYLMT-OVVQPSECSA-N 444.604 5.998 30 10 IKEE Fc1ccc(CSc2nnc(COc3ccccc3Cl)n2/N=C/c2ccco2)cc1 1874266107 GPOYXLSXUAPGKK-WYMPLXKRSA-N 442.903 5.417 30 10 IKEE CCSc1nnc(COc2cccc(C)c2C)n1/N=C/c1c(OC)ccc2ccccc12 1874324031 UPSREOSCCQPRMK-CVKSISIWSA-N 446.576 5.630 30 10 IKEE Cc1cccc(OCc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccco2)c1C 1874324038 UZRFNSQUULTDMY-DHRITJCHSA-N 436.512 5.381 30 10 IKEE Cc1ccc(CSc2nnc(COCc3ccccc3)n2/N=C/c2cccc(C)c2)cc1 1874352515 NXIROSJDRIFYTR-JVWAILMASA-N 442.588 5.786 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccccc3)nnc2[C@H](C)c2ccccc2)cc1 1874395931 YPKFOFZHUXLWLB-VKELSTCCSA-N 428.561 5.613 30 10 IKEE C(=N/n1c(CCc2ccccc2)nnc1SCc1ccccc1)\c1cccc2ccccc12 1874402512 FFSGVLMAGGAVLW-ZTKZIYFRSA-N 448.595 6.391 30 10 IKEE O=[N+]([O-])c1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2cccc(F)c2)cc1 1874417432 LBLXLZRJRITUKR-MFKUBSTISA-N 447.495 5.091 30 10 IKEE Cc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1 1874418009 YTLALXVTULPUDY-PCLIKHOPSA-N 443.532 5.260 30 10 IKEE Cc1ccccc1CSc1nnc(-c2cccs2)n1/N=C/c1c[nH]c2ccccc12 1874420981 OIVKJLQESPRKJS-AFUMVMLFSA-N 429.574 5.971 30 10 IKEE Cc1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2cc(Cl)ccc2O)cc1 1874451732 NHGDDUCKJVOSNQ-ZMOGYAJESA-N 426.973 5.778 30 10 IKEE CCCCc1nnc(SCCC)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1874479410 ZCPLEVDCWGCXOJ-PCLIKHOPSA-N 443.016 6.237 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc2c(c1)OCCO2 1874485142 GZXDCPUSGOUDGC-ZMOGYAJESA-N 442.972 5.175 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2cccc(Cl)c2)c1 1874488139 YOOIQAXADMDXIT-ZMOGYAJESA-N 441.988 5.051 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc(N(C)C)cc1 1874511246 QGTNVRBJUDQOIU-ZMOGYAJESA-N 448.423 5.778 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(C)C)n2/N=C/c2ccc(C(F)(F)F)cc2)c1 1874513600 HIPJUWCGOOJNBA-RPPGKUMJSA-N 432.515 6.212 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2ccc(C(C)(C)C)cc2)cc1 1874518309 NFMCXEGXDNEVMO-CVKSISIWSA-N 447.608 5.374 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(C)nnc2SCc2cccc3ccccc23)cc1 1874533468 KEBATZGAGJNSOB-OVVQPSECSA-N 444.604 6.483 30 10 IKEE CCCN(CCC)C(=O)COc1c(/C=C/C(=O)c2cccc(Cl)c2)cccc1OC 1874577320 IPWCWXVPOGZLNW-OUKQBFOZSA-N 429.944 5.272 30 10 IKEE CCCOc1c(OC)ccc(/C=C/C(=O)c2cccc3ccccc23)c1Br 1874597556 SUMHTWFPZJDUFN-ACCUITESSA-N 425.322 6.296 30 10 IKEE C=C(C)COc1c(Cl)cc(/C=C/C(=O)c2cc(OC)c(Cl)cc2OC)cc1OC 1874629999 FRINCKALWBFTBR-VOTSOKGWSA-N 437.319 5.870 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1OC(=O)c1ccccn1 1874693206 SMPMNLDEQMXVMS-MHWRWJLKSA-N 435.479 5.873 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2)cc1OC(=O)[C@@H](C)Oc1ccc(C(C)C)cc1 1874701060 ZPQPDYYWPACFBL-NXZBIGBUSA-N 444.527 6.088 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cccc(F)c3)c2)cc1 1874701657 DMYLPSPOJONFSN-NTUHNPAUSA-N 434.463 5.738 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2cccc(OC)c2)CSc2nnc(C(C)C)n21 1874851745 GZPGRUIGAQOJHO-FQEVSTJZSA-N 430.618 5.472 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)C1CCCC1 1875082876 RAIQPFBUPNLJCH-GZTJUZNOSA-N 426.512 6.354 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(C)c3)cc2)c1 1875107330 KUFUJZUPABURJA-YRNVUSSQSA-N 432.472 5.136 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccco2)c([N+](=O)[O-])c1)c1cccc(Br)c1 1875115700 QQUYFOKYEQHGOB-SOFGYWHQSA-N 442.221 5.066 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)cc3)c(Cl)c2)cc1 1875129497 FQJHYGQAICAXKZ-WLRTZDKTSA-N 438.882 5.922 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3cccc(C)c3C)c(Cl)c2)cc1 1875133044 AZQAEAWQTBJGTF-UKTHLTGXSA-N 434.919 6.146 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)Cc1ccc(Cl)cc1 1875157222 SZJNYPRKUBWESE-MKMNVTDBSA-N 448.946 6.516 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc1OCC 1875190615 XZWYSKBKAYTDRJ-WYMLVPIESA-N 438.564 6.483 30 10 IKEE C=CCn1c(C(=O)N2CCC[C@@H](C)C2)cc2c(NCCCCCCCCCC)ncnc21 1875228752 CABFSWMOJSSZKF-OAQYLSRUSA-N 439.648 6.042 30 10 IKEE C=CCN(CC[C@H](NCCC)c1ccc(Br)c(C)c1)C(=O)OC(C)(C)C 1876854852 XHFYUECCCIIOGP-IBGZPJMESA-N 425.411 5.611 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)[C@@H]2CC[C@H]21 1880190842 MZKHEYBDKFWBJN-UMEGOILYSA-N 441.572 5.105 30 10 IKEE N#Cc1ccc(OC2CCN(C(=O)c3ccc4ccccc4c3Br)CC2)cc1 1890868978 IVOAFIVWIWUISI-UHFFFAOYSA-N 435.321 5.158 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCCC)c2cccc(Br)c2F)C1 1892692381 XEPXCMOMBMAIIO-QGZVFWFLSA-N 427.358 5.242 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)C1(C#N)CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 1950144465 ANQIKGVJIXEUHP-UHFFFAOYSA-N 435.609 5.343 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)C1(NC(=O)OC(C)(C)C)CC(C2CCC2)C1 2001888414 JDLHUMZPNRNLCM-SBRHDKPSSA-N 428.617 5.211 30 10 IKEE C=CCCCCCC[C@H](NCC)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2026015767 WLXKEJWXAPATMD-XWGVYQGASA-N 432.649 5.990 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)NCC 2039333862 HEXIAFOSBBACPK-RPBOFIJWSA-N 438.612 5.264 30 10 IKEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2045241770 ULEVNZGZNRWZDM-XDHUDOTRSA-N 447.551 5.497 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1ccc(Br)c(Cl)c1F 2045780953 ZLWCLYARINLNPY-HXUWFJFHSA-N 426.757 6.055 30 10 IKEE Cc1cc(C)c([C@H](C(C)C)n2nc(C(F)F)c(C#N)c2I)c(C)c1 2079857439 AKJCCEODBSVAJZ-INIZCTEOSA-N 443.279 5.468 30 10 IKEE Cc1cc(C)c([C@@H](C(C)C)n2nc(C(C)C)c(C#N)c2I)c(C)c1 2079993386 QVDJTNAIZIXCTA-LJQANCHMSA-N 435.353 5.653 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@]1(C#N)CN(Cc2ccccc2)C2(CCCCC2)C1 2100076611 XRRNLYQMALQKAG-MUUNZHRXSA-N 445.607 6.299 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)C1(C#N)C[C@@H]2CCCCC[C@H]2C1 2153401166 XYFWTRWAUQZYHC-IRXDYDNUSA-N 433.390 6.443 30 10 IKEE C[C@@H](NC(=O)OC(C)(C)C)c1cccc(Nc2cc(Br)cc(F)c2C#N)c1 2163690587 VXYYUGKFSIUNCE-GFCCVEGCSA-N 434.309 5.789 30 10 IKEE C=C(COCc1ccccc1)[C@H](NC)[C@H]1CC2(CCCC2)CCN1C(=O)OC(C)(C)C 2215583704 BITFWRRWPUGIHM-PKTZIBPZSA-N 428.617 5.307 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Br)cc1Cl 2222730229 HENBZKKKOIOJMI-DLBZAZTESA-N 429.786 5.060 30 10 IKEE CCCCCC#CC[C@H](O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237393228 XYPQLQQEKLBXLY-PMACEKPBSA-N 438.406 5.220 30 10 IKEE C#CCCCC[C@H](NCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237403921 AHDHDOSHEDBPJI-VQTJNVASSA-N 437.422 5.057 30 10 IKEE C#C[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C 2243926499 JWWXWHBQDBMGGF-RPBOFIJWSA-N 446.591 5.104 30 10 IKEE C=C(C)CCCC[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NC 2259165226 YZXMVPYSISRGQQ-XMMPIXPASA-N 443.676 5.661 30 10 IKEE Cc1cc(C(=O)N(Cc2ccccc2)[C@H](C)C(C)C)cc(C)c1B1OC(C)(C)C(C)(C)O1 2267577398 RNCQHWCGNLPEMZ-OAQYLSRUSA-N 435.417 5.290 30 10 IKEE CN(Cc1ccccc1CNc1c(Br)cccc1C#N)C(=O)OC(C)(C)C 2285183496 ZJTBHURTESCKJW-UHFFFAOYSA-N 430.346 5.300 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CCC[C@H](C1)[C@@H]2Nc1ccc(C#N)cc1Br 2285782464 OKVMXMJLNGSBPL-HEBPQOSZSA-N 434.378 5.205 30 10 IKEE CN[C@@H](C#Cc1ccc(Br)cc1)c1cc(Cl)cc(NC(=O)OC(C)(C)C)c1 2296309698 ZHQCDWZFTHCKPN-IBGZPJMESA-N 449.776 5.762 30 10 IKEE N#Cc1nc(C=Cc2ccccc2)oc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 2296788667 PBPZPECVMADTSF-UHFFFAOYSA-N 446.554 5.628 30 10 IKEE Cc1c(OC(=O)c2ccccc2Cl)ccc2c1OC(=Cc1cn(C)c3ccccc13)C2=O 2296871737 AADFMXWZGNGALF-UHFFFAOYSA-N 443.886 5.976 30 10 IKEE CCCCCCCCOc1ccc(C=C2SC(=S)N(Nc3ccccc3)C2=O)cc1 2296881984 FPAHKPIGHJWKQI-UHFFFAOYSA-N 440.634 6.654 30 10 IKEE CCN[C@@H](C#CC1(OC)CCCC1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2300733186 LZKYATZVPJWZLD-HSZRJFAPSA-N 428.617 5.145 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2308983663 KDRFGMIUHBBLLS-JIYWGDOCSA-N 445.535 5.153 30 10 IKEE C(=Nn1c(SCc2ccccc2)nnc1C1CC1)c1ccc(OCc2ccccc2)cc1 2320851398 WESGEGGKXUODIV-UHFFFAOYSA-N 440.572 5.909 30 10 IKEE Cc1ccc(COc2ccc(C=Nn3c(C)nnc3SCCc3ccccc3)cc2)cc1 2321157799 KNRKPLSVBRSVCH-UHFFFAOYSA-N 442.588 5.691 30 10 IKEE Sc1nnc([C@H]2CCCO2)n1N=Cc1cccc(OCc2c(Cl)cccc2Cl)c1 2321935023 PBARLVSYZSSGSY-GOSISDBHSA-N 449.363 5.186 30 10 IKEE CCCCC[C@H](CC)N1COc2cc(C)c3c(c2C1)OC(=Cc1ccccc1OCC)C3=O 2322075877 TUNYUNFSLLKROX-NRFANRHFSA-N 449.591 6.521 30 10 IKEE CCOc1c(Br)cc(Br)cc1C=CC(=O)c1ccc(F)cc1F 2322501304 MLUBZUCTFORKTB-UHFFFAOYSA-N 446.085 5.785 30 10 IKEE O=C(COc1ccc(Br)cc1C=CC(=O)c1ccccc1)NC1CCCCC1 2322542552 GGSGEZREFNGSII-UHFFFAOYSA-N 442.353 5.173 30 10 IKEE Cc1ccc(COc2ccc3ccccc3c2C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1 2322582968 RKKBJBOWKGBWHM-UHFFFAOYSA-N 447.361 7.930 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccccc1OC(F)F)C2=O)c1ccccc1F 2322788551 QKHFJIAADMUWSZ-UHFFFAOYSA-N 426.346 5.263 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OCC(=O)Nc3c(C)cccc3C)c2)c1 2323178161 QFCBCCUMBXYNOM-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE Cc1c(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)cccc1[N+](=O)[O-] 2323260135 AERARSGJCGQHNT-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE CCCCCCCOc1ccccc1C=Nn1c(S)nnc1Cc1ccc(F)cc1 2323544033 INZSMQNFSICXJO-UHFFFAOYSA-N 426.561 5.528 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Br)cc2)cc(Cl)c1OCCCO 2323585131 GQGFFMSJXFYJEA-UHFFFAOYSA-N 439.733 5.159 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc3ccccc23)cc1)c1cccc(Br)c1 2323651930 VUNLORYKVLCHRM-UHFFFAOYSA-N 443.340 7.077 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1C 2323675521 VBGQNXDLYIMOMP-UHFFFAOYSA-N 430.460 5.125 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)cc(OC)c1OCc1ccccc1F 2323720200 VQKGLXSCYQBMAK-UHFFFAOYSA-N 428.406 5.596 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OCCc3ccccc3)c(OC)c2)cc1F 2324108178 HQSLXVNTFRZWHE-UHFFFAOYSA-N 436.479 5.369 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1F 2324110867 IXQIDOWJOSTHDX-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE CC(=O)c1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2cccc(C)c2)C3=O)cc1 2324989462 LLUXBFJWRQYCQP-UHFFFAOYSA-N 441.483 5.140 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1ccco1)C2=O)Nc1c(Cl)cccc1Cl 2325129377 SGMFLEJECJJCAK-UHFFFAOYSA-N 430.243 5.220 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cccc(C)c3)c2)cc1 2325710574 XBANOIHURBCXQD-UHFFFAOYSA-N 428.528 6.462 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc4c(c3)OCO4)c2)cc1 2325712609 DMWNAZULKSJSMX-UHFFFAOYSA-N 428.484 5.873 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1C 2325713226 WGQHWSWUEBDOEX-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE CCCCCCCCC(=O)Oc1cc(C=CC(=O)c2ccccc2Cl)ccc1OC 2325717229 VANWYTIVHUXRCE-UHFFFAOYSA-N 428.956 6.901 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2cccc(C=CC(=O)c3cccc(Br)c3)c2)c1 2325720925 CKCVYTXAZQQZTC-UHFFFAOYSA-N 435.317 6.181 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(C=CC(=O)c3ccccc3OC)ccc2OC)c1 2325723440 RLELGPBSOSILJP-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2)cc1OC(=O)[C@@H](C)Oc1ccc(Cl)cc1 2325731221 JYRSDKHAUIZDTE-QGZVFWFLSA-N 436.891 5.618 30 10 IKEE CCCCC1CCC(C(=O)Oc2cccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)c2)CC1 2325746436 VWFMUDLXTQSYCU-UHFFFAOYSA-N 446.631 7.782 30 10 IKEE CCCc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc(F)c(F)c3)c2)cc1 2325753534 PLMFMMGGHQEDKE-UHFFFAOYSA-N 436.454 5.798 30 10 IKEE CCCc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc(C)c(C)c3)c2)cc1 2325760439 WVRHJBKIIUNHJZ-UHFFFAOYSA-N 428.528 6.136 30 10 IKEE CCCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1N=Cc1cccs1 2325812597 HYVOYQWNDWINEC-UHFFFAOYSA-N 449.045 6.006 30 10 IKEE CCOc1cc(C=Nn2cnnc2SCc2ccccc2F)cc(Cl)c1OCC 2326256466 JFXBCHQFEJGIDV-UHFFFAOYSA-N 434.924 5.043 30 10 IKEE CCCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1ccccc1Cl 2326331903 GVYVHWUPZGDRBY-UHFFFAOYSA-N 441.044 6.746 30 10 IKEE CCCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccc(F)cc1F 2327300229 SHAYDCACDVXVIG-UHFFFAOYSA-N 430.524 5.445 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1cc(Cl)ccc1O 2327557835 WQBXTILXMSDMPT-UHFFFAOYSA-N 449.363 5.420 30 10 IKEE Cc1cccc(CSc2nnc(COc3c(C)cccc3C)n2N=Cc2cccnc2)c1 2328552223 GVPKQCLRUQBAOG-UHFFFAOYSA-N 443.576 5.352 30 10 IKEE C=CCSc1nnc(CCc2cccc(OC)c2)n1N=Cc1ccc(Cl)cc1Cl 2328652925 DHGAAJWDDQZLDU-UHFFFAOYSA-N 447.391 5.539 30 10 IKEE C=CCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc(OCC)c(OC)c1 2329121038 LBTPWPHCUOCFIK-UHFFFAOYSA-N 442.972 5.090 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1 2330910732 SKYLNTFPAXSACN-UHFFFAOYSA-N 425.311 6.428 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3F)cc2)c1 2331084224 CWDDHHAJYULRBA-UHFFFAOYSA-N 438.426 5.026 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)C(C)(C)C)c(Br)c2)cc1 2331197288 VVDZQZRPPITSMJ-UHFFFAOYSA-N 431.326 5.695 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc(Cl)c2)n1N=Cc1cccc([N+](=O)[O-])c1 2331408978 FNAJGVVEOLWULZ-UHFFFAOYSA-N 429.933 5.312 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc(Cl)c2)n1N=Cc1c(F)cccc1Cl 2331410949 WCZIWGGTMMVYDO-UHFFFAOYSA-N 437.371 6.196 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1 2331489943 MVKTXEVVYGOHRF-UHFFFAOYSA-N 439.338 7.232 30 10 IKEE Fc1ccc(CSc2nnc(C3CCC3)n2N=Cc2ccc(Br)cc2)cc1 2331491479 KCTCSZGSHROBOL-UHFFFAOYSA-N 445.361 5.622 30 10 IKEE CCCCOc1ccc(C=Nn2c(COC)nnc2SCc2ccccc2Cl)cc1 2331578013 BEVMXHXBVZXNMI-UHFFFAOYSA-N 444.988 5.431 30 10 IKEE CCCC(=O)Oc1ccc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)cc1OCC 2331639477 FMIPYRGYZSDIQM-UHFFFAOYSA-N 437.319 6.002 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1Cl 2331706208 LSQGUCDWYWIJEA-UHFFFAOYSA-N 426.984 7.509 30 10 IKEE COc1ccccc1C=Nn1c(SCc2ccc(Cl)cc2Cl)nnc1C(C)C 2331708573 XROWJZYMLIXVEG-UHFFFAOYSA-N 435.380 5.891 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(C3CC3)n2N=Cc2ccc(C(C)C)cc2)c1 2331717612 RKVDPVUIMMPQPX-UHFFFAOYSA-N 447.608 5.509 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)cc2OC)cc(OC)c1OC(=O)c1ccco1 2331728977 ZAVMXKVSJKNGHW-UHFFFAOYSA-N 448.471 5.149 30 10 IKEE CCc1csc(C#C[C@@H](O)c2cc(Cl)c(NC(=O)OC(C)(C)C)c(Cl)c2)n1 2363954468 JVTXUSXSXMALQT-OAHLLOKOSA-N 427.353 5.444 30 10 IKEE CC(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@@H]3c2cccnc2)cc1 17098990 NSRVIXAUPIXADV-KDYSTLNUSA-N 434.543 5.970 30 10 IKEE COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C)cc2)c1 21218650 HYHJIBPKZSDJOQ-GDJIYFAZSA-N 440.543 5.992 30 10 IKEE CC(C)Oc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccncc2)cc1 21240043 NVTVRGSKPDTNKJ-HRFSGMKKSA-N 425.532 5.848 30 10 IKEE C=CCc1ccccc1OCCn1c(COc2cccc3ccccc23)nc2ccccc21 40238084 XFVSTUAJYGWLAO-UHFFFAOYSA-N 434.539 6.576 30 10 IKEE CCOc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccc(F)cc2)C4)cc1 41646275 SMDIRDGUURFKNJ-CFRMEGHHSA-N 445.490 5.501 30 10 IKEE CC(=O)C1=C(C)N(Cc2ccccc2)[C@]2(SC(C)=NN2c2ccc([N+](=O)[O-])cc2)S1 59121830 BAUYVDKAVXMCSM-NRFANRHFSA-N 440.550 5.162 30 10 IKEE Cc1ccc(Oc2ccc(C(F)(F)F)cc2/N=C/c2cc(Cl)cc(Cl)c2O)cc1 59463059 WWQFKNRIFUDNGF-LUOAPIJWSA-N 440.248 7.569 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)COc1ccc(Cl)cc1Cl 100061191 NXCIYVTWSROXPY-UHFFFAOYSA-N 444.487 7.970 30 10 IKEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccccc2)cc1 102542094 PSLUQRXRSBXHTG-SADKCHQCSA-N 444.487 5.370 30 10 IKEE CCCCCCCCCCCC(=O)Nc1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1 103000134 ACDLHDCLBBCCMN-UHFFFAOYSA-N 440.540 6.673 30 10 IKEE O=c1c(Cl)c(N/N=C\c2c(Cl)ccc(Cl)c2Cl)cnn1-c1ccccc1 169895096 NOSYALAZOVPHQR-UYOCIXKTSA-N 428.106 5.292 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2ccc(F)cc2)cc1 169921912 RNUAWVGYUBBGCI-QHCPKHFHSA-N 442.446 5.099 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccc(Cl)cc2)c1 169969951 OGEXJPIDGAINGZ-LJQANCHMSA-N 438.936 5.505 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@H]2c2cccnc2)cc1C 170003311 CIMWPIPNXCQNHQ-DEOSSOPVSA-N 440.543 5.779 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@H]2c2ccccc2)c1 170047571 MQJXFMLSSGCTNT-XMMPIXPASA-N 443.499 5.185 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(C)o2)c1 170099548 HAFAXXIBQKAEOK-QHCPKHFHSA-N 443.455 5.516 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2sccc2C)c1 170104931 DUEQVFHDOWVLAX-NRFANRHFSA-N 444.512 5.329 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccc(C)c2)c1 170140993 NHEBXHRWCUSFIW-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C2CCCCC2)c1 170145329 BBZUDBPEZMLGDS-RUZDIDTESA-N 429.560 5.785 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccncc2)c1 170202356 GSMBJYSRLKGHNA-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccncc2)cc1Cl 170202641 IEOBOXRIDTYCEQ-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1ccc(OCC)cc1 170214095 HSRUQCRBTNSCRV-HSZRJFAPSA-N 437.536 5.169 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2)ccc1OCC(C)C 170234054 KTZCEEQVGXJGDS-XMMPIXPASA-N 433.548 5.551 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1ccc(F)cc1)c1cc2ccccc2o1 170239205 KQZGJCZSWGSNGI-JOCHJYFZSA-N 429.403 5.060 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1ccc(C(C)C)cc1 170245315 BZQMIKARMIINBA-VWLOTQADSA-N 447.619 6.794 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)(C)C)c2)[C@@H]1c1cccc(O)c1 170263011 VCSOGBNDEOAHRG-QFIPXVFZSA-N 437.536 5.077 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccco1 170288671 PGKLTYUCFRLJET-HSZRJFAPSA-N 443.886 6.178 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccc(F)c(F)c2)o1 170299362 SRRPRLIXOQZSID-HXUWFJFHSA-N 427.378 5.097 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2C2CCCCC2)o1 170308304 CSGBABZWANVMNG-HSZRJFAPSA-N 435.564 6.105 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 170342166 YOQNIOUCNOZVEA-QHCPKHFHSA-N 446.572 5.686 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccc(OC(C)C)c2)cc1 170348100 FXYWYODKOCDQTM-QFIPXVFZSA-N 449.528 5.327 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Nc3ccccc3)cc2)[C@@H]1c1ccco1)c1ccccc1 170400431 NFEHVCVSLSCXCW-XMMPIXPASA-N 436.467 5.806 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1ccc(O)cc1 170451594 ZAGGKEMAQULVGE-LJQANCHMSA-N 442.924 5.171 30 10 IKEE Cc1cccc([C@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2ccc(Nc3ccccc3)cc2)c1 170460699 CDEFSDOBMBGXPH-DEOSSOPVSA-N 426.516 5.864 30 10 IKEE C=CCc1ccc(OCCCCn2c(/C=C\c3ccccc3)nc3ccccc32)c(OC)c1 205749708 DODGXMBZTWUDEW-ZPHPHTNESA-N 438.571 6.803 30 10 IKEE CCOc1ccc(-c2csc(=NN=C(C)c3ccc(Br)cc3)n2C)cc1 252626162 QXTMKZXSDMTSPV-UHFFFAOYSA-N 430.371 5.240 30 10 IKEE CCOc1ccc(C(C)=NNc2ncnc3sc4c(c23)C[C@@H](C(C)(C)CC)CC4)cc1 254844273 DAYFHCCTDUYHQJ-SFHVURJKSA-N 436.625 6.467 30 10 IKEE O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cc(C(F)(F)F)ccc1Br 326951331 JSQSCTUULZAANO-UHFFFAOYSA-N 430.117 5.878 30 10 IKEE CC(C)COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccnc2)c1 526517622 SMPLFBRALSRFSI-XMMPIXPASA-N 425.488 5.045 30 10 IKEE Cc1cccc([C@@H]2C(c3cccc(OCC(C)C)c3)=C(O)C(=O)N2c2ccccc2C#N)c1 526604895 LPEWCDISGSNFFY-AREMUKBSSA-N 438.527 5.959 30 10 IKEE Clc1ccccc1/C=N\n1c(CCc2ccccc2)nnc1SCc1ccccc1 526800854 YLWVABSBTAFXFM-ONUIUJJFSA-N 432.980 5.891 30 10 IKEE Fc1ccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccccc2F)cc1 526803733 KODBROYVXKXLKC-YUMHPJSZSA-N 434.515 5.516 30 10 IKEE Cc1ccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccc(C)cc2)cc1 526804977 BXEVCQHEEMFUMW-IMRQLAEWSA-N 426.589 5.855 30 10 IKEE CCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1c(F)cccc1Cl 526805159 BKUDDOROQAPHHK-WGARJPEWSA-N 445.007 6.495 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccccc1COc1ccccc1 526806753 SPWCXMGLNKMXMJ-YSMPRRRNSA-N 448.979 5.993 30 10 IKEE COc1ccc(/C=N\n2c(C)nnc2SCc2ccc(C)cc2C)c(Cl)c1OC 526810557 AGGKXNKDNLRYKB-KSEXSDGBSA-N 430.961 5.048 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1cccc(C(F)(F)F)c1 526823385 JLWRASFFGOSCEL-OPVMPGTRSA-N 445.297 6.087 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1ccc([N+](=O)[O-])cc1 526824044 HORGZMJHTOZBSB-FBHDLOMBSA-N 436.324 5.230 30 10 IKEE CC(C)Oc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2cccc(Cl)c2)cc1 586256222 GCTADOLGZBCOMX-UHFFFAOYSA-N 440.952 5.394 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@H](C#N)CN(C(=O)OC(C)(C)C)C(C)(C)C 698381587 VXQQYAYWCLXZHQ-LJQANCHMSA-N 431.577 5.351 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)COCc2ccccc21 698460250 VAPIJGVJGFZKOE-NRFANRHFSA-N 429.314 5.140 30 10 IKEE CCCCCCCCC[C@H](NC)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 705501606 JIGNDAYTOYMXFD-NHTMILBNSA-N 434.665 6.214 30 10 IKEE Cc1ccc(NC(=O)[C@H]2CC(=O)N(C)C(=Nc3ccc(Cl)c(Cl)c3)S2)c(C)c1 1084447065 PCWHAXHRRKPYKP-QGZVFWFLSA-N 436.364 5.200 30 10 IKEE CCOC(=O)/C(=C/Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C(=O)c1ccccc1 1088686239 RCDNWWFYABDERW-PLPWKKLYSA-N 444.918 5.737 30 10 IKEE CC(=C/c1ccccc1)/C=C1\SC(=Nc2cccnc2Cl)N(c2ccccc2)C1=O 1772732034 BUQOWYFZFGSFKK-OXGLPNRZSA-N 431.948 6.490 30 10 IKEE C/C(=C1/SC(=Nc2cccc(C(=O)O)c2)N(c2ccccc2)C1=O)c1ccc(C)c(C)c1 1772738998 ZNEJYVVOQKQHDP-HMVJOEOJSA-N 442.540 6.200 30 10 IKEE CCCCn1c2ccccc2c2nnc(NN=Cc3ccc(OCCC)c(OC)c3)nc21 1772765042 PWAAREOIAFYJBA-UHFFFAOYSA-N 432.528 5.023 30 10 IKEE O=c1c(-c2c(F)c(F)c(F)c(F)c2F)c[nH]cc1-c1c(F)c(F)c(F)c(F)c1F 1848358515 JNGAKILUEVYYNJ-UHFFFAOYSA-N 427.197 5.100 30 10 IKEE Cc1ccc(-n2cc(/C=N\NC(=S)Nc3ccccc3)c(-c3ccc(F)cc3)n2)cc1C 1857809274 PWAGEZHNJHOIPV-DICXZTSXSA-N 443.551 5.616 30 10 IKEE Cc1cccc(-n2cc(/C=N\NC(=S)Nc3ccc(Cl)cc3)c(-c3ccccc3)n2)c1 1857809804 AIQIOZXRQQSPMR-YSMPRRRNSA-N 445.979 5.822 30 10 IKEE COc1ccc(C(=O)Nc2cccc3c(OC(=O)Nc4ccccc4C#N)cccc23)cc1 1858771531 YPLCCZKXSXCQKI-UHFFFAOYSA-N 437.455 5.583 30 10 IKEE CCOC(=O)c1sc(NC(=O)c2ccc3nc(-c4ccc(C)cc4)oc3c2)c(C#N)c1C 1859736272 UGHWHSMNBQHWIJ-UHFFFAOYSA-N 445.500 5.474 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)c2ccc(CSC(C)C)o2)nc2ccccc12 1859763764 UINWQJRBSYKUDZ-UHFFFAOYSA-N 431.521 5.088 30 10 IKEE N#Cc1c(O)nc(SCCCOc2ccc(Cl)cc2)nc1-c1ccccc1Cl 1860825119 NPYRTJXKJIBCQY-UHFFFAOYSA-N 432.332 5.589 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCC)NC(=O)c1c(Cl)ccc(Cl)c1OC 1861144020 GQHIMMBZNIVXPQ-KRWDZBQOSA-N 431.404 5.377 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1cccc(O)c1 1862381586 DBAYJJMBFZXTMY-IBGZPJMESA-N 434.319 5.468 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc(F)cc1F)c1cccc(Cl)c1 1862446478 TVUNJCUINYJLAX-NRFANRHFSA-N 439.845 5.397 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1c(F)cccc1Cl 1862459869 FKYBAKOKPVFFOP-SFHVURJKSA-N 441.808 5.275 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862488257 UTJXPVUCJSTFKV-HXUWFJFHSA-N 442.899 5.325 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2c(Cl)cccc2Cl)cc1 1862521989 WIXRAOCVPZMPLR-HXUWFJFHSA-N 448.346 5.771 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2ccc(F)cc2)cc1 1862529886 KWVUPKITRGTBBW-VWLOTQADSA-N 443.518 5.783 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2cccs2)cc1 1862593702 XCVIHMCCNHXBKI-JOCHJYFZSA-N 447.556 5.530 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2ccccc2C)cc1F 1862639339 WDOZLKVBUOAVTM-XMMPIXPASA-N 445.490 5.230 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(Cl)cc1 1862652156 FIIUJDFVUYQVRX-HSZRJFAPSA-N 449.934 5.498 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C(C)C)cc3)[C@H]2c2ccccc2F)c1 1862660986 AOKNHDGQHIMAIJ-RUZDIDTESA-N 443.518 6.036 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc(Cl)c1 1862675383 JIWQBHONQBLTPW-YFZFPPMRSA-N 427.903 5.636 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc(Cl)c2)cc1 1862688752 AAXKJGLNEVEUPC-NRFANRHFSA-N 425.912 5.260 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc2ccccc12 1862692838 VFCXNIFHUWCYGH-DEOSSOPVSA-N 429.516 5.617 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 1862705456 YWMLIKKZEUSEAY-HSZRJFAPSA-N 433.548 5.514 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCc2ccccc2)c1 1862713033 FZTUFGKZYZXNQB-MHZLTWQESA-N 447.534 5.969 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3cccc4ccccc34)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1863029828 XEPYTCSSQYDBTF-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(OCC)cc2)=C(c2ccc(C)c(C)c2)C1=O 1863248270 MZVDWDYTOOQFJP-UHFFFAOYSA-N 448.607 6.255 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(Nc2cccc(C#N)c2)=C(c2cc(C)ccc2C)C1=O 1863403196 VDEJPSXDKHMBPX-QFIPXVFZSA-N 429.564 5.726 30 10 IKEE CCCc1nc(Nc2ccc(C#N)cc2)cc(N2CCC(Oc3cccc(CC)c3)CC2)n1 1868401019 MEMSDEUUIODMNR-UHFFFAOYSA-N 441.579 5.655 30 10 IKEE CCCCCCCOc1cn(CCC2=CCCCC2)c(CN(CCC)CCCC)cc1=O 1870416582 FMXAJIKIPGMEKO-UHFFFAOYSA-N 444.704 7.100 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)cc2)c(=O)cc1CNc1ccc(Cl)c(C)c1 1870861600 KSCLYTWPTDZEQZ-UHFFFAOYSA-N 429.347 5.841 30 10 IKEE C=CCn1cc(OCC(=O)Nc2ccc([C@@H](C)CC)cc2)c(=O)cc1CNc1ccccc1 1871107200 NTFOOJZCZRJXSL-FQEVSTJZSA-N 445.563 5.177 30 10 IKEE CCCCCCCCCCn1cc(OCCCC)c(=O)cc1CNc1ccc(C)c(C)c1 1871112579 KDEBDIPCKPUOSP-UHFFFAOYSA-N 440.672 7.397 30 10 IKEE C=CCn1cc(OCCCOc2ccc(C)cc2)c(=O)cc1CNc1ccc(C)c(C)c1 1871216395 SPXBOUFFOQEUAJ-UHFFFAOYSA-N 432.564 5.420 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2)Oc2c1ccc1c2CN(Cc2nc3ccccc3[nH]2)CO1 1871348573 HAGYXYAHOFUTIR-JJFYIABZSA-N 443.890 5.185 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(Cl)cc1Cl)C3=O)CN(CCOC(C)C)CO2 1871351630 KQOJIVJADLKRTE-UKWGHVSLSA-N 448.346 5.495 30 10 IKEE Cc1cc(OC(=O)c2cccc([N+](=O)[O-])c2)cc2c1C(=O)/C(=C/c1ccccc1Cl)O2 1871374241 ZFJDXSGPBUIRGU-JAIQZWGSSA-N 435.819 5.392 30 10 IKEE CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871407892 QBIIVCRPNBDDPL-SDPDQUOZSA-N 443.499 5.416 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccco1)C2=O 1871413850 PPIBPPVEGCOSIE-ZGFXFUDXSA-N 437.879 5.572 30 10 IKEE CCOc1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 1871417935 GMXVXEOJFLEZCM-GXWRHTCTSA-N 441.483 5.275 30 10 IKEE Cc1c(OCc2cccc3ccccc23)ccc2c1O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871435023 YPWAPRLZPYOXSI-QRQIAZFYSA-N 434.535 7.467 30 10 IKEE CC(C)=C1Oc2cc(O[C@@H](C)C(=O)Nc3nc(-c4ccccc4)cs3)cc(C)c2C1=O 1871444313 XKHRAGYBDNIQIT-HNNXBMFYSA-N 434.517 5.394 30 10 IKEE CCc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2C)C3=O)cc1 1871454199 KLCQWEGHPQOTHE-IWIPYMOSSA-N 427.500 5.500 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(CCCC)cc1)C(C)C)S(=O)(=O)c1ccc(C)cc1 1871818522 OIGLFQZALTZKBH-DEOSSOPVSA-N 442.625 5.178 30 10 IKEE CCc1ccc(-c2csc([C@H](C#N)C(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1 1872761562 QEIHACDACSUAHG-OAQYLSRUSA-N 445.588 5.276 30 10 IKEE COc1ccc(OC)c(-c2csc([C@H](C#N)C(=O)CCc3ccc(Cl)cc3)n2)c1 1872770749 DDGZFUALMJQFJM-GOSISDBHSA-N 426.925 5.290 30 10 IKEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCCCNC(=O)c3ccccc3)n2)cc1C 1872783987 MVZFGNWQAMRQPM-QFIPXVFZSA-N 445.588 5.594 30 10 IKEE CCCCC1CCC(C(=O)[C@H](C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)CC1 1872785869 BCFBJNYHUDSPDD-TVPLGVNVSA-N 445.028 6.953 30 10 IKEE COc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2cc(C)c(Cl)cc2OC)cs1 1872786309 HHOWIBGUZZDRDN-OAHLLOKOSA-N 442.924 5.044 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(F)ccc2F)=C(c2ccccc2C)C1=O 1873305542 JWDRDLWEFQIWSC-UHFFFAOYSA-N 426.507 5.826 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C(F)(F)F)c2)cc2c(N3CCCCCC3)ncnc21 1873655275 ANYCHKJIWWBDHR-UHFFFAOYSA-N 443.473 5.269 30 10 IKEE CSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1ccc(F)cc1F 1874201520 GHIZDBJKPAGWFR-BRJLIKDPSA-N 430.524 5.345 30 10 IKEE CSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccc(Cl)cc1Cl 1874262646 JMZSZLOJRGKFID-ZVBGSRNCSA-N 427.744 5.421 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1ccc(OCCC)cc1 1874358116 PKLUABGOSWFAAY-WGOQTCKBSA-N 434.609 5.825 30 10 IKEE CCCSc1nnc(CCc2cccs2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874372296 RGZFOHDGKAEVOG-UDWIEESQSA-N 435.962 5.071 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(F)cc3)n2/N=C/c2sccc2C)cc1 1874379342 NAIVQTQPWRKVIF-AFUMVMLFSA-N 436.581 5.861 30 10 IKEE Cc1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2cccc([N+](=O)[O-])c2)cc1 1874420535 QPYZHYIQMQQBMZ-LPYMAVHISA-N 435.534 5.398 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccncc1 1874440778 SBLHDYKIIDBGLG-WYMPLXKRSA-N 434.396 5.743 30 10 IKEE COc1cccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C(C)(C)C)c1 1874486964 SEPIJDDNWQAJRN-WYMPLXKRSA-N 432.952 5.551 30 10 IKEE CC(C)Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1c(F)cccc1Cl 1874487594 FYMFIHCOIJDJEY-FOKLQQMPSA-N 447.923 5.352 30 10 IKEE CCOc1c(/C=N/n2c(CC(C)C)nnc2SCc2ccccc2C)cccc1OC 1874488706 FTZSNODBWUWFFV-MFKUBSTISA-N 438.597 5.367 30 10 IKEE O=[N+]([O-])c1cc(/C=N/n2c(SCc3ccccc3)nnc2C2CCC2)ccc1Cl 1874495696 ZWLGMVYPLHIFAJ-WSDLNYQXSA-N 427.917 5.282 30 10 IKEE C=CCSc1nnc(CCC)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874508314 WOIHRYZYSJCGPU-BUVRLJJBSA-N 426.973 5.623 30 10 IKEE Cc1ccc(Cc2nnc(S)n2/N=C/c2ccccc2OCc2ccccc2Cl)cc1 1874561044 BQXRDGNFIRTTQT-CVKSISIWSA-N 448.979 5.581 30 10 IKEE Cc1ccc(Cc2nnc(S)n2/N=C/c2ccc(OCc3ccccc3C)cc2)cc1C 1874562114 CNBWBJQQHAPLAA-JVWAILMASA-N 442.588 5.544 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(S)nnc1COc1ccc(Cl)cc1Cl 1874569247 NUHWVABZYDHYMD-LSHDLFTRSA-N 437.352 5.122 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCc3cccc(F)c3)ccc3ccccc23)cc1C 1874574073 SUOGXVMVLZENEC-OUKQBFOZSA-N 426.487 6.771 30 10 IKEE CCCN(CCC)C(=O)COc1c(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)cc1OC 1874583690 APRVLRPMKKACJH-DHZHZOJOSA-N 447.934 5.411 30 10 IKEE CCCOc1ccc(Br)cc1/C=C/C(=O)c1cc(C(C)(C)C)ccc1OC 1874584202 BRDVFLYDIBRECL-JXMROGBWSA-N 431.370 6.440 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OCC(=O)Nc1ccccc1F 1874595803 DYTMKDWOIFVOPT-YRNVUSSQSA-N 437.442 5.195 30 10 IKEE CCN(CC)C(=O)COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC 1874599854 HKYDMLGMJHFPKG-SDNWHVSQSA-N 437.580 5.444 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c([N+](=O)[O-])c2)cc1 1874615865 BRWCTSIDFRIXJU-KPKJPENVSA-N 444.487 5.434 30 10 IKEE O=C(/C=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)c1ccc2c(c1)OCCO2 1874620865 XMTWHSDRHSTWOG-UXBLZVDNSA-N 441.310 6.240 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc1 1874621504 HDFNCCYEYITGLJ-GXDHUFHOSA-N 433.479 5.310 30 10 IKEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 1874622709 QWAAPXVWIMNCSS-WUXMJOGZSA-N 425.481 5.120 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2cccc(OC(=O)CCc3ccc(Cl)cc3)c2)cc1 1874706130 QKTJJJBMRUEGAX-RQZCQDPDSA-N 446.974 7.072 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1OC(=O)c1cccc(Cl)c1 1874708366 ZCLNPWJJYPCJNT-WYMLVPIESA-N 442.898 6.617 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OC(=O)Cc1ccc(F)cc1 1875112943 NXROBTRXVGCUFV-MKMNVTDBSA-N 434.463 5.277 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)c(C)c3)c(OC)c2)cc1 1875115292 WKUQYBBWRUSWGJ-NTUHNPAUSA-N 430.500 5.365 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3)c([N+](=O)[O-])c2)c(C)c1 1875134614 BKJFQJKPTGLAOD-UKTHLTGXSA-N 429.472 5.646 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)c1cccs1 1875134845 OBVUHXZBUAIVHT-CSKARUKUSA-N 440.948 6.532 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)C(C)(C)C)c(Br)c2)cc1 1875138779 WWJDFRQPWPBUDE-WUXMJOGZSA-N 445.353 6.086 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OCCC)cc2)cc(OC)c1OC(=O)CC(C)C 1875138965 LADNMSFOMXORNK-NTEUORMPSA-N 436.548 6.060 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)c3cc(Cl)ccc3Cl)cc2)ccc1F 1875141094 NGOYWDHBPXYLPJ-NYYWCZLTSA-N 429.274 6.556 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1cccc(F)c1 1875145852 WKHRDXVTGKHWIA-PKNBQFBNSA-N 434.463 5.657 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2-c2ccccc2)cc1)c1ccc2c(c1)OCO2 1875149832 JXXUQALKCLDCQZ-FOWTUZBSSA-N 448.474 6.198 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(Cl)cc3)cc2)cc1 1875156065 JCKIXMWCBVBFFX-FZSIALSZSA-N 434.919 6.344 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2)c1 1875156169 MZMTUYCPNMQAOP-VIZOYTHASA-N 444.527 5.871 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1Cl 1875162034 SVAPTMBPYNECQM-UXBLZVDNSA-N 442.845 5.671 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc(OC)c1OC(=O)C1CCCC1 1875169148 CDQXWFWMKBUQQN-ZHACJKMWSA-N 438.520 5.321 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1ccccc1 1875170163 KEGCUNXLOYDNPM-WYMLVPIESA-N 428.528 6.434 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)c1ccccn1 1875182730 RPMOQLNNXVWZRN-MDZDMXLPSA-N 431.488 5.139 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)CCCSC 1875185894 UNDLCVIUVPFZMW-JLHYYAGUSA-N 440.605 6.246 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3sccc3C)cc2)c(OC)c1OC 1875194539 VEOPZLPWIVSUTI-YRNVUSSQSA-N 438.501 5.198 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)[C@H]2CC[C@@H]21 1880190844 MZKHEYBDKFWBJN-ZYLNGJIFSA-N 441.572 5.105 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 1922065858 PKDFFBCQKMDORK-SMIHKQSGSA-N 430.633 5.459 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](O)c1c(Cl)ccc(Cl)c1Cl 1922074592 OPTAOKJMGUWEKO-NHCUHLMSSA-N 428.787 5.821 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)C1[C@H]2CC[C@H]1CN(C(=O)OC(C)(C)C)C2 1922074852 RCQMBUSPZBCCDN-WPFOTENUSA-N 428.617 5.021 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)C(C)(C)C1CCN(C(=O)OC(C)(C)C)CC1 1922107272 KOAOAGYBZIWHAJ-QHCPKHFHSA-N 430.633 5.411 30 10 IKEE C=C(COCc1ccccc1)[C@H](NC)c1cc(Br)c(Br)s1 1922116182 OCPMTWWQSFWYGN-HNNXBMFYSA-N 431.193 5.307 30 10 IKEE C=C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C1CC1)[C@@H](CC(C)C)C(=O)O 1927550285 KESGPCQUBBCPLH-RPLLCQBOSA-N 433.548 5.607 30 10 IKEE O=C(O)CCC[C@H](CC1(CS)CC1)NC(=O)OCC1c2ccccc2-c2ccccc21 1952078640 BDWUKIOVOOZITL-QGZVFWFLSA-N 439.577 5.249 30 10 IKEE CC[C@@H]1CC[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)CN1C(=O)OC(C)(C)C 1953238977 FTBYZVCFNCRUTL-CJFMBICVSA-N 443.588 5.496 30 10 IKEE C=CCC[C@H](C)[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NC 1996481745 PNXJIYXUBIQCBU-GMAHTHKFSA-N 429.649 5.126 30 10 IKEE CC1(C)OB(c2cnc(N(Cc3ccccc3)C3CCCCC3)c(Cl)c2)OC1(C)C 2004976223 KEXHJXUJVQBLLN-UHFFFAOYSA-N 426.797 5.374 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1)NCCC 2006570596 JYPCKWXFGDBRFO-XZOQPEGZSA-N 430.633 5.553 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1(C)C 2013409363 YCXNWEDLMALTPM-HXOBKFHXSA-N 433.524 5.153 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCC2)C2(CCC2)C1 2019922393 VETGHKUTIGLIDM-MOPGFXCFSA-N 433.593 5.095 30 10 IKEE C=CCCCCCCCC[C@H](CCCN(Cc1ccccc1)C(=O)OC(C)(C)C)NC 2026313448 NJXGNVSSPGDHGR-RUZDIDTESA-N 430.677 7.099 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)cn1 2050054298 OVNALULTAUTVKI-SFHVURJKSA-N 442.491 5.574 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 2059075464 XNUUKIPCPPIANZ-SQJMNOBHSA-N 438.612 6.086 30 10 IKEE C=CCCCC[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCC 2059116910 DKXQUNFLOSHWDD-DEOSSOPVSA-N 443.676 5.661 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1cnn(C(C)C)c1NC(=O)OC(C)(C)C 2068668775 WQRLCUYNRCIPKT-JOCHJYFZSA-N 442.604 5.625 30 10 IKEE CC#CCC[C@H](NC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071359366 VRZFWYCPUJSYOJ-LBNVMWSVSA-N 429.560 5.270 30 10 IKEE CC#CCCC[C@H](NCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2073663955 DDADSIIOLUOEEP-MHZLTWQESA-N 427.588 6.689 30 10 IKEE CC(C)c1nn(Cc2cc(C(F)(F)F)ccc2F)c(Br)c1C(F)(F)F 2079800031 ODKSHWKLAPZMLM-UHFFFAOYSA-N 433.165 5.994 30 10 IKEE CCCc1ccc([C@H](C2CCC2)n2nc(C3CC3)c(C#N)c2I)cc1 2079836779 KFLFIGLBMLKYIL-FQEVSTJZSA-N 445.348 5.579 30 10 IKEE N#Cc1cnc2c(-c3cc(Br)ccc3F)c(C3CCCCC3)nn2c1Cl 2081550152 RXUMUSPENRBDFM-UHFFFAOYSA-N 433.712 5.871 30 10 IKEE C=CCN(CC[C@H](Cc1ccccc1Br)NCCC)C(=O)OC(C)(C)C 2099288755 UZRNNBBYXNDIKT-GOSISDBHSA-N 425.411 5.173 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(Cc3ccccc3)C3(CCCC3)C2)c1 2100067487 NORNJEDTYFOKAV-MUUNZHRXSA-N 445.607 6.218 30 10 IKEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(Cc2cccc(Br)c2Cl)CC1 2137177314 LAQMMJNSBYLJRY-UHFFFAOYSA-N 426.591 5.256 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)C1(C#N)C[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1 2174480655 VUQJBFMGYSZAJO-BRSBDYLESA-N 433.346 5.040 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCCN1c1ccc(C#N)c(Br)c1 2174812497 LMFYVHIRAFPEIR-MOPGFXCFSA-N 434.378 5.079 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc2c1CCN(c1cccc(Br)c1C#N)C2 2174813813 ANHABDBNKHXOOS-UHFFFAOYSA-N 428.330 5.230 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2cc(Br)ccc2C#N)C[C@@H]1C1CCC1 2194110717 DRQYQIMHRTXEOU-IEBWSBKVSA-N 434.378 5.301 30 10 IKEE C=CCC[C@H](C)[C@@H](NC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229111078 HOOPUPGBJHZBBP-KFKAGJAMSA-N 425.411 5.075 30 10 IKEE CCCCCCCC[C@H](O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237393141 VVPSZMKVRNOKPW-PMACEKPBSA-N 442.438 5.996 30 10 IKEE CCc1ccc(C#C[C@@H](N)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1 2239625532 AHIAGHCKFOEKRB-GDLZYMKVSA-N 447.578 6.459 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)C1CCCN(C(=O)OC(C)(C)C)CCC1 2251345125 NJZSACMKOQLAOX-XMMPIXPASA-N 430.633 5.555 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cccc(Cl)c1Br 2272011106 SMHIBXKKKDWXKA-AEFFLSMTSA-N 443.813 5.450 30 10 IKEE N[C@H](C#Cc1cccc(Br)c1)c1cccc(Br)c1Br 2278735721 RXRYMPBQTHXXQF-CQSZACIVSA-N 443.964 5.026 30 10 IKEE C=CC[C@@](C)(CNC(=O)OC(C)(C)C)COc1nc2ccc(Br)cc2s1 2278951606 DVJGZABFKQPMRP-IBGZPJMESA-N 441.391 5.545 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1c(F)cccc1Br)NCCC 2289742224 ZGUUCAHLKDWZJZ-RTBURBONSA-N 443.401 5.358 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@@](C)(CC)CNC(=O)OC(C)(C)C 2296216425 KICLEOJIGQUUQY-UGKGYDQZSA-N 437.422 5.110 30 10 IKEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1CN(Cc2ccccc2)C(C)(C)C1 2296282980 BCZLIWJJDOENIO-GMAHTHKFSA-N 425.414 5.079 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)CN(C(=O)OC(C)(C)C)[C@@H](C)CC 2296299724 YSXAGWKEEWZXSZ-FXAWDEMLSA-N 437.422 5.204 30 10 IKEE COc1ccc(N=C2SC(=Cc3ccc(O)cc3)C(=O)N2c2ccc(OC)cc2)cc1 2297293639 TZTPTHOIVTXCFJ-UHFFFAOYSA-N 432.501 5.218 30 10 IKEE O=C1C(=C2Sc3c(ccc4cccc(Cl)c34)C2=O)Nc2ccc(Br)cc21 2297453573 MJURASYNFLAELQ-UHFFFAOYSA-N 442.721 6.064 30 10 IKEE CN1C(=O)C(=Cc2ccc(-c3cccc(Cl)c3)o2)SC1=Nc1cccc(C(=O)O)c1 2314548851 XQHOITCUPSUYQG-UHFFFAOYSA-N 438.892 5.532 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@@H](C#N)C12CC(CCN1C(=O)OC(C)(C)C)C2 2318806239 ZTZCBLCUBVXRHS-CBRQFWLQSA-N 445.535 5.249 30 10 IKEE CCCCOc1ccc(C=NNc2oc([C@@H]3C[C@@H]3c3ccccc3)nc2C#N)cc1OCC 2320837245 QUZSXLWIMDWMQF-NHCUHLMSSA-N 444.535 5.841 30 10 IKEE C=C(C)CSc1nnc(CC)n1N=Cc1cccc(OC)c1OCc1cccc(C)c1 2321000255 JOSDHZGRERRLEX-UHFFFAOYSA-N 436.581 5.287 30 10 IKEE CCc1nnc(SCc2ccccc2)n1N=Cc1ccc(OCc2ccccc2C)cc1 2321004339 XPRSLRTVFURNOZ-UHFFFAOYSA-N 442.588 5.902 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccccc2C=CC(=O)c2cccc3ccccc23)c1 2322714708 IYKADIYXOAGIGX-UHFFFAOYSA-N 435.523 6.370 30 10 IKEE Cc1ccc(C)c(COc2ccc(Cl)cc2C=CC(=O)c2cccc3ccccc23)c1 2322724650 GJANVSABAAVRNG-UHFFFAOYSA-N 426.943 7.585 30 10 IKEE O=C(C=Cc1cc(Br)ccc1OCc1cccc(Cl)c1)c1ccc(F)cc1 2322738353 XQWGHYBTBLXWIN-UHFFFAOYSA-N 445.715 6.717 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2ccc(Cl)cc2)c(OC)c1 2322907189 RDQKAZPLZBXYDY-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE Cc1cc(O)nc(NN=Cc2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)n1 2323117148 CMYUMXOTXMKFQV-UHFFFAOYSA-N 446.514 5.456 30 10 IKEE Cc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc2c1C(=O)C(=Cc1cccs1)O2 2323302551 VCTSJRBNCIZUSH-UHFFFAOYSA-N 441.848 5.454 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cccc(OCC(=O)Nc3cc(C)ccc3C)c2)c(C)c1 2323303014 YAQWNVNZOIPPKM-UHFFFAOYSA-N 427.544 6.142 30 10 IKEE CCCCCCCCNC(=O)[C@@H](NC(=O)C=Cc1ccc(C(C)(C)C)cc1)c1ccccc1 2323441792 NSCVDVZCUQYRNC-MHZLTWQESA-N 448.651 6.332 30 10 IKEE CCCCCCCCCOc1ccc(C=Nn2c(SC)nnc2C(C)C)cc1OCC 2323580467 UROXYKMVYQTDQP-UHFFFAOYSA-N 446.661 6.534 30 10 IKEE CCOc1cc(C=NNc2nc(-c3c(C)cc(C)cc3C)cs2)cc([N+](=O)[O-])c1OC 2323854344 NPQOKYCRNQPQAA-UHFFFAOYSA-N 440.525 5.497 30 10 IKEE CC(C)C(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(F)cc2)C3=O)c1 2323908835 CIHPJEGQRXVJDH-UHFFFAOYSA-N 446.430 5.223 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc(OCC(=O)OCc3ccccc3)c2C)C1=O 2324233678 CYWXZHNONCFWSH-UHFFFAOYSA-N 444.483 5.132 30 10 IKEE CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1ccccc1C)C2=O 2324325181 ZSQLIVKYGCOSQZ-GOSISDBHSA-N 443.499 5.416 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4cccc(Cl)c4C)ccc3C2=O)o1 2324430274 JFLQVZYOBPZZOG-HNNXBMFYSA-N 437.879 5.572 30 10 IKEE CC(C)c1csc([C@H](C#N)C(=O)C=Cc2ccc(OCc3ccccc3Cl)cc2)n1 2324598874 VKJPYEFDPBYGFS-HXUWFJFHSA-N 436.964 6.389 30 10 IKEE Cc1cc(C)c(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(Cl)c(Cl)c3)n2)c(C)c1 2324787884 SOGLKSVMBNLRRX-KRWDZBQOSA-N 441.383 6.932 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)C=Cc2ccc(C(C)C)cc2)n1 2324794819 PHQSOXWKDXJTQB-XMMPIXPASA-N 442.628 7.429 30 10 IKEE CC(C)c1ccccc1NC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O 2325725890 JWGFZVDXXCIGNW-UHFFFAOYSA-N 431.463 5.583 30 10 IKEE O=C(COc1ccccc1)Oc1cccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)c1 2325737251 DYHUQZBTZXDCLV-UHFFFAOYSA-N 427.283 5.874 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OC(=O)[C@H]1C[C@@H]1c1ccccc1Cl 2325737857 ZTEXAEFSCBDZCO-YADHBBJMSA-N 446.930 6.262 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1OC(=O)Cc1ccc(C)c(C)c1 2325746583 FVBUWCLFGVLENE-UHFFFAOYSA-N 444.483 5.085 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)C(C)(C)C)c2)c(OCC)c1 2325762383 FXJYOUTYOTWWHE-UHFFFAOYSA-N 426.509 5.340 30 10 IKEE C=CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccc(OC)cc1 2326136869 ZNYMHJYFMVPFJA-UHFFFAOYSA-N 442.972 5.296 30 10 IKEE CCOc1ccc(C=Nn2c(C)nnc2SCc2ccc(F)cc2)cc1Br 2326238135 JGNHQTWYUKERRG-UHFFFAOYSA-N 449.349 5.061 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccccc1OCC(C)C 2326250299 DLIOISVBTOQTJM-UHFFFAOYSA-N 426.561 5.579 30 10 IKEE CCOc1ccccc1OCc1nnc(SCc2ccccc2C)n1N=Cc1ccc[nH]1 2326807374 YZFIPQAQMHQKMD-UHFFFAOYSA-N 447.564 5.067 30 10 IKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)C1(C#N)CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 2327975668 RTTKDJDTSUCGHI-FWWRBODZSA-N 449.636 5.732 30 10 IKEE CCOc1ccc(C=Nn2c(CCc3ccc(Cl)cc3)nnc2SCC)cc1OC 2328051330 PSAFOYLUONOAHL-UHFFFAOYSA-N 444.988 5.118 30 10 IKEE Cc1ccc(OCc2nnc(SCCc3ccccc3)n2N=Cc2cccnc2)cc1C 2328794490 VNTZRFFYOIJMQX-UHFFFAOYSA-N 443.576 5.086 30 10 IKEE CSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1ccc(Br)cc1 2328920720 GYWIAPNFGDKQNM-UHFFFAOYSA-N 429.387 5.047 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccco1 2329622884 GUDLRSCCEPLVNQ-UHFFFAOYSA-N 447.322 6.159 30 10 IKEE C=C(C)CSc1nnc(Cc2ccccc2F)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2329740591 XSEJMJPRUOFSKW-UHFFFAOYSA-N 445.907 5.120 30 10 IKEE Cc1cccc(CSc2nnc([C@H](C)c3ccccc3)n2N=Cc2ccccc2O)c1 2330073629 VTJLUCKUQRQAMB-LJQANCHMSA-N 428.561 5.618 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1Cl 2330683773 WMMZURSGEZANFM-UHFFFAOYSA-N 446.930 6.343 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(F)(F)F)n2N=Cc2cn(C)c3ccccc23)c1 2331141306 NYQURZZAZJOZPG-UHFFFAOYSA-N 443.498 5.580 30 10 IKEE Cc1cccc(C=Nn2c(SCC(=O)Nc3cccc(C)c3C)nnc2-c2ccco2)c1 2331174022 FANKJJWWHGASBX-UHFFFAOYSA-N 445.548 5.076 30 10 IKEE CCCCCCC(=O)Oc1c(OCC)cc(C=CC(=O)c2ccccc2)cc1[N+](=O)[O-] 2331175074 NQUINULOWMPPMQ-UHFFFAOYSA-N 425.481 5.765 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)c1cnc(C)cn1 2331232372 GAKXJVCLFABDNR-UHFFFAOYSA-N 442.515 5.254 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc3c(c2)OCO3)cc1)c1ccc(Cl)c(Cl)c1 2331239619 OFBIPDCMKOKOFQ-UHFFFAOYSA-N 441.266 5.837 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)[C@@H](C)c1ccccc1 2331312759 WBGWGABTXSHBMJ-IBGZPJMESA-N 448.946 6.571 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)cc2)ccc1F 2331332776 LPNHSVHQWGYXKY-FQEVSTJZSA-N 446.518 6.527 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(OCC)c(OC)c1 2331337755 YAMUZJZXRQWNOX-UHFFFAOYSA-N 442.560 5.342 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC(=O)Cc1ccc(C)c(C)c1 2331376614 YKFNBFQELWELGJ-UHFFFAOYSA-N 444.527 5.673 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(OC)ccc2OC)ccc1OC(=O)CCCSC 2331392369 WVQFGWRMNGBGFN-UHFFFAOYSA-N 444.549 5.047 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3OC)cc2)cc1F 2331451210 BLSFPIWCKAZTIP-UHFFFAOYSA-N 434.463 5.277 30 10 IKEE CC(C)Cc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(N(C)C)cc1 2331477452 SDKZHXHTPVJLLI-UHFFFAOYSA-N 445.995 5.510 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)Cc1ccc(C)c(C)c1 2331508582 FHLNDPKAOBAWAM-UHFFFAOYSA-N 442.555 6.480 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1ccc(C)c(C)c1 2331566125 IECFNHBZQMLSSW-UHFFFAOYSA-N 436.454 6.096 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)cc2Cl)cc1C 2331646701 WUJHGEOMIPJPCO-UHFFFAOYSA-N 446.974 7.306 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2N=Cc2ccc(C(C)(C)C)cc2)cc1 2331734141 NFMCXEGXDNEVMO-UHFFFAOYSA-N 447.608 5.374 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)ccc1OC(=O)CC(C)(C)C 2331753180 FHUUTOARUPTUDY-UHFFFAOYSA-N 430.928 5.903 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2cccs2)c(Cl)c1 2331876635 UKWYOBZUPHKYTJ-UHFFFAOYSA-N 433.312 6.179 30 10 IKEE N#Cc1nc(-c2cccs2)oc1NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2331938091 CXODXJATBFNHQE-UHFFFAOYSA-N 434.908 5.953 30 10 IKEE Cc1cc(Br)c(C)c(Oc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)c1 2364930485 WUFCINVPAZFUDG-UHFFFAOYSA-N 438.558 5.206 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1snnc1C1CCC1 2377629087 VYKCENMPMQGWLL-OAHLLOKOSA-N 449.374 5.574 30 10 IKEE COc1cc(Br)c(OC[C@](C)(CS)C(C)(C)C)cc1Br 2380187221 PGUSEAJXDPWFJM-OAHLLOKOSA-N 426.214 5.581 30 10 IKEE CCOc1ccccc1[C@H]1C2=C(CCCC2=O)Nc2nc(SCc3cccc(C)c3)nn21 9856596 WSGBRJIXRZQUHN-QHCPKHFHSA-N 446.576 5.300 30 10 IKEE CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=N\Nc1ccc(Cl)c(Cl)c1 13576774 XJSRPZJVDRIRBZ-ULJHMMPZSA-N 430.320 5.308 30 10 IKEE CCc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(SCc4ccccc4)nn32)cc1 19642028 OUZSHBZFICVFJJ-QHCPKHFHSA-N 444.604 5.791 30 10 IKEE CN(C)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)cc1 21239498 CAXKNLYITGJPFL-DNOBIOAJSA-N 443.978 6.386 30 10 IKEE N#Cc1cccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccc(Br)cc2)c1 23460578 ANIBIOVKHVDNOG-UHFFFAOYSA-N 443.304 5.426 30 10 IKEE COc1ccc(-n2nc(-c3ccc(Cl)cc3)cc2NC(=O)c2cccc(C#N)c2)cc1 23461242 UUMGMTNGDDBUCR-UHFFFAOYSA-N 428.879 5.325 30 10 IKEE C=CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cccc(OC)c2)c1 39872814 CKBNRVVGWJZBNH-XMMPIXPASA-N 439.467 5.116 30 10 IKEE CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)ccc1OC 59198983 FVYHJEVDMRMKIM-WGOQTCKBSA-N 434.561 6.037 30 10 IKEE CCCCN1C(=O)/C(=C2/S/C(=N/c3ccc(C)c(Cl)c3)N=C2O)c2ccccc21 96576494 FGSBTRALSWEUPG-VHEBQXMUSA-N 425.941 5.897 30 10 IKEE CCCCCCCCCCS[C@@H](C(C)C)N(Cc1ccccc1)Cc1ccccc1 100000891 LCQDQCVCYQBKRY-NDEPHWFRSA-N 425.726 8.545 30 10 IKEE CCN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2O)S/C1=N/c1cccc(C(=O)O)c1 100939764 AJQOZUPTBBNQJD-LJLXHGTCSA-N 437.304 5.021 30 10 IKEE CCCCCCCSc1nc(-c2ccc(OC(F)F)cc2)cc(C(F)(F)F)c1C#N 101115100 AUPWQRGUXOPQDQ-UHFFFAOYSA-N 444.469 7.303 30 10 IKEE Cc1cc2cc(-c3ccccc3)[nH]c2cc1N/C(=C\C(=O)c1ccccc1)c1ccccc1 102783065 WMKDYMSVKYWUOV-BRPDVVIDSA-N 428.535 7.479 30 10 IKEE O=C(c1cc(-c2cccs2)nc2ccccc12)N1CCS/C1=N/Cc1ccccc1 105094300 JXMSAJLELJCKCQ-OCOZRVBESA-N 429.570 5.709 30 10 IKEE CC/N=C1\S/C(=C/c2cn(CCOc3ccccc3F)c3ccccc23)C(=O)N1CC 106646274 RMTUHCAVCPTPNJ-GCXIQGEKSA-N 437.540 5.172 30 10 IKEE CCCOc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SC)cc1Br 169916151 YWRQJCXZZKFOGY-HMAPJEAMSA-N 445.386 5.024 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccc(OC)cc2)cc1 169922535 AXQGAAYZTSJBDI-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccccc2C)c1 170037369 YKSQEEJZLICKOG-QHCPKHFHSA-N 447.918 5.830 30 10 IKEE Cn1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C2CCCC2)c2ccccc21 170085765 ZBGFLUZWMSSSKS-JOCHJYFZSA-N 434.923 5.353 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(F)(F)F)cc3)[C@@H]2c2ccco2)s1 170095526 IMOCHYLHEGQVCK-MRXNPFEDSA-N 448.422 5.155 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(OC)cc2)cc1 170114791 MEKOYUIGMCIHBV-HSZRJFAPSA-N 435.520 5.005 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(OC(C)C)c(C)c2)=C(O)C(=O)N1C1CCCC1 170126142 SXFFNAIFNYTIPL-XMMPIXPASA-N 449.547 5.312 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2cccs2)c1 170157942 JTZODIOXXGNIDS-HSZRJFAPSA-N 447.556 5.937 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2cccs2)c1C 170158930 NPSCREJFJWXVBW-XMMPIXPASA-N 439.536 6.301 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(O)c(Cl)c1 170219666 GSNWDLNKPCHLJZ-HXUWFJFHSA-N 425.868 5.170 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)c(OC)cc3C)[C@H]2c2ccccc2)cc1 170224466 GVOUPNZDXIBFJA-RUZDIDTESA-N 441.527 5.657 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2ccccc2)c1 170225620 XWOAEAGPBBIAQO-RUZDIDTESA-N 439.511 5.411 30 10 IKEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(Cl)cc4)[C@H]3c3ccccc3)ccc2O1 170226657 CRIVYVLEVDKMNF-CMJOXMDJSA-N 445.902 5.446 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1OC 170235149 YSPAANMICFLJKJ-QFIPXVFZSA-N 449.890 5.140 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 170238277 IAOBRXOKVYGFLN-FQEVSTJZSA-N 425.818 5.401 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2c(OC)cccc2OC)[C@H]1c1ccc(C(C)C)cc1 170245313 FAZNMFWNVZDAQA-HSZRJFAPSA-N 437.536 5.206 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2F)cc1C 170251762 BXWDRTDCPCHNPU-HSZRJFAPSA-N 437.511 5.362 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccco1)c1ccc(Cl)c(Cl)c1 170279758 DXIPDSISAHPPJR-KRWDZBQOSA-N 434.300 5.426 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccco2)cc1C 170287721 POTJAQPZCCRHIE-QHCPKHFHSA-N 431.488 5.468 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccc(C)o2)c(C)c1 170303021 LMTNEVMGUNLPSS-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2c2ccc(C#N)cc2)o1 170305133 YRGLRLQPYFQTKK-DEOSSOPVSA-N 438.483 5.121 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCCOC(C)C)o1 170310544 BMPAJXDBPMWGCC-HSZRJFAPSA-N 433.504 5.135 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c(Cl)cccc1Cl)N2 226897615 XTSJLIXIXIFJGB-WYEJZRMESA-N 430.419 8.169 30 10 IKEE C(=Nc1cc2c3c(c1)[C@@H](c1ccccc1)CCN3CC[C@@H]2c1ccccc1)c1ccccc1 252621911 NJYHHTCFAHCIPJ-VSGBNLITSA-N 428.579 7.315 30 10 IKEE CC(=Nc1cc([N+](=O)[O-])ccc1C)N1CCN(C(c2ccccc2)c2ccccc2)CC1 254569256 PDSPHFYWCGATNH-UHFFFAOYSA-N 428.536 5.360 30 10 IKEE COc1ccc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)c(OC)c1 526514016 AILJOVLMTVGKEF-HSZRJFAPSA-N 446.890 5.286 30 10 IKEE Cc1nnc(SCc2ccccc2F)n1/N=C\c1c(Cl)ccc(Cl)c1Cl 526802871 MJGOFDLXTVXAEN-UYOCIXKTSA-N 429.735 5.860 30 10 IKEE CCCOc1ccccc1/C=N\n1c(CC)nnc1SCc1ccc(Cl)c(Cl)c1 526815267 WJUBWFVKNBTAJT-CFRMEGHHSA-N 449.407 6.111 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1cccc(OCC(C)C)c1 526823688 NQFUUCOZUOGEGQ-MYKKPKGFSA-N 449.407 6.103 30 10 IKEE C=C(C)CN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(OCC)cc1 586254525 CWHHPYJHTMXUCD-UHFFFAOYSA-N 437.561 5.436 30 10 IKEE CCCCCCCNc1cc(I)cc(I)c1 690416684 JXZDCOMEKAEGFM-UHFFFAOYSA-N 443.110 5.278 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCc2ncccc2C1 698409726 VVCYSHDYMODAOF-NRFANRHFSA-N 428.330 5.037 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@H](C#N)CN(C(=O)OC(C)(C)C)C(C)(C)C 698907944 DSTVEGYQDKBKQO-INIZCTEOSA-N 437.606 5.413 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2ccc(C)c(Br)c2)cc1 698961318 ZCXVTKWZWUZENA-IBGZPJMESA-N 431.330 5.773 30 10 IKEE Cc1ccccc1NC(=S)/C(=C(/O)c1ccc(C#N)cc1)[n+]1c(C)ccc(O)c1Cl 777511346 PODPHMOSRFASME-UHFFFAOYSA-O 436.944 5.145 30 10 IKEE COC(=O)c1ccc(OCCCO/N=C(/c2ccc(-c3ccccc3)cc2)C2CC2)cc1 821229771 ZIDIQGVRAJSUAG-SGEDCAFJSA-N 429.516 5.740 30 10 IKEE COc1cccc(/C=C2\SC(=Nc3cccc(C)c3)N(c3cccc(C)c3)C2=O)c1OC 1082989850 JAXRSSMZBUXJTA-MLSYBWHESA-N 444.556 6.129 30 10 IKEE CCN1C(=O)C[C@@H](C(=O)Nc2ccc(C)cc2C)SC1=Nc1cccc(C(F)(F)F)c1 1084120606 MNFKKEKEUVRFTC-SFHVURJKSA-N 449.498 5.302 30 10 IKEE O=C(Nc1ccccc1)[C@H]1CC(=O)N(Cc2ccccc2)C(=Nc2ccc(Cl)cc2)S1 1084612279 SIZYZTYBBTTWPZ-OAQYLSRUSA-N 449.963 5.501 30 10 IKEE Cc1ccc(COc2cccc(/C=C3/SC(=Nc4ccncc4Cl)N(C)C3=O)c2)cc1 1772735383 SMDQIOFRTNHNBN-VXWJBAAHSA-N 449.963 5.856 30 10 IKEE Cc1ccc(NC(=S)N/N=C\c2cn(-c3ccc(Cl)cc3)nc2-c2ccccc2)cc1 1857811227 PRXISQONCPSDPB-YSMPRRRNSA-N 445.979 5.822 30 10 IKEE CCCOc1ccc(/C=C/C(=O)C(=O)Nc2ccccc2Oc2ccccc2)cc1OCC 1860728597 HCDFWNJTEBOQSN-JQIJEIRASA-N 445.515 5.887 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CC(C)C)NC(=O)c1c(Cl)ccc(Cl)c1OC 1861149395 UETRYDVRILLTAB-GOSISDBHSA-N 445.431 5.623 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@H]2c2ccc(C(=O)O)cc2)cc1 1862395629 UUFZISDAMCURLZ-QFIPXVFZSA-N 435.520 5.106 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccccc1F 1862431036 YGQFDSYTAUUFOF-IVZQSRNASA-N 435.882 5.819 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(Cl)cc2)[C@@H]1c1ccccc1)c1cccc(Cl)c1 1862441299 DYOZNLSHAYYHHM-OAQYLSRUSA-N 438.310 5.772 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862442776 VEYGIZQSDKHFFL-GAJHUEQPSA-N 431.919 5.988 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)c1 1862478529 JGVUEPQZMCJDLB-DFBJGRDBSA-N 441.527 5.733 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccccc2C)c1 1862490439 VTIJTSBWPZWINO-VWLOTQADSA-N 429.560 6.081 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)cc1 1862501720 IWNZHJNXCTZXNI-UIDQEFQQSA-N 435.539 5.854 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(OCCC)c(OCC)c1 1862541454 LSZFZXQHUVQHIU-DEOSSOPVSA-N 449.547 5.201 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccccc1 1862544125 WXZSOGVZIQKROR-DVKBMCPXSA-N 429.560 5.722 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc2cc[nH]c2c1 1862583524 CZSRAEXOJCNJEE-IBGZPJMESA-N 427.287 5.239 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2cccc(C)c2)cc1 1862589009 BZGMXWDVNOUMKT-BVZFJXPGSA-N 441.527 5.603 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(C(=O)O)cc1 1862616021 OOUVNCICSPXATK-QFIPXVFZSA-N 449.547 5.307 30 10 IKEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1cccc2ccccc12 1862620080 KDIHIEUIXROELF-OSPHWJPCSA-N 443.543 5.096 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CCCCC2)c1 1862664534 LEVUKRPXNPAJNZ-RUZDIDTESA-N 447.575 6.120 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc2ccccc12)c1ccc(F)cc1 1862678099 NZHUBEJWGFSEHK-XMMPIXPASA-N 438.458 5.152 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)cc1 1862686925 CSKLVDJGFKNLGJ-OUPRXKBMSA-N 433.548 5.415 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 1862693189 YZJMVFCAJMGAHK-QHCPKHFHSA-N 433.548 5.514 30 10 IKEE Cc1cc(C2=C(Nc3ccc(Cl)cc3C)C(=O)N(c3ccc(C#N)cc3)C2=O)ccc1F 1863093642 YRZXKPAJSWCEKK-UHFFFAOYSA-N 445.881 5.364 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)c(Cl)c2)=C(c2ccccc2F)C1=O 1863294802 WXJWGTLRTPIVNR-UHFFFAOYSA-N 446.925 6.171 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(CC)cc2Br)=C(c2ccccc2Cl)C1=O 1863449729 GBIANLXNTHZIFU-UHFFFAOYSA-N 445.744 5.043 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)c(F)c2)=C(c2ccc(F)c(C)c2)C1=O 1863462882 DILPAZMJAZMANT-UHFFFAOYSA-N 444.497 5.965 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(CC)c([N+](=O)[O-])c1 1866029884 NGYKBWCVAWMNCU-UHFFFAOYSA-N 432.649 8.357 30 10 IKEE CC(C)c1nc(Nc2cccc(C#N)c2)cc(N2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)n1 1868221457 MTLMIJWOCQVYLR-VGSWGCGISA-N 431.515 5.321 30 10 IKEE CCCCCCCOc1cn(Cc2cccnc2)c(CN2C[C@@H](C)C[C@@H](C)C2)cc1=O 1870410674 ATTQTMQPDTXYNM-SZPZYZBQSA-N 425.617 5.119 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OC(C)C)c(=O)cc1CN(CCC)CCC 1870478006 KKYRMOUPHRLUKQ-UHFFFAOYSA-N 436.637 5.161 30 10 IKEE C#CCOc1cn(CCCCN(CC)CC)c(CN(CCCC)CCCCCC)cc1=O 1870563745 NJGNCSQYSYFFQF-UHFFFAOYSA-N 445.692 5.165 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(F)cc2)c(=O)cc1CN1CCCCCC1 1870625363 BACUMUBEJLGCTR-UHFFFAOYSA-N 442.619 6.303 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCCCCC)cn1CCCCCCCCCC 1870673316 FEKKGNSGGROUNN-UHFFFAOYSA-N 444.704 7.122 30 10 IKEE C=CCOc1cn(CCCCCCCC)c(CNc2ccc(Br)cc2)cc1=O 1870812650 YLJWWXZLKNMCGD-UHFFFAOYSA-N 447.417 6.148 30 10 IKEE CCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CNc1ccc2[nH]ncc2c1 1871059211 YQFKWEFXULUUHQ-UHFFFAOYSA-N 436.600 6.042 30 10 IKEE C=CCn1cc(OCCCc2ccccc2)c(=O)cc1CNc1ccc(C(F)(F)F)cc1 1871137928 XZJFFVOFPDPLJP-UHFFFAOYSA-N 442.481 5.677 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc3c2CN(Cc2ccccc2F)CO3)C1=O 1871347087 XIICTRMWBBAFHY-CFRMEGHHSA-N 431.463 5.193 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OC(=O)CCCOc4ccccc4C)ccc3C2=O)c1 1871369536 PXISRWQZACWKAJ-XYGWBWBKSA-N 444.483 5.384 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O)c1ccc(C(F)(F)F)cc1 1871375788 DCRILMZFQAVEIK-KACMKLLYSA-N 436.385 6.097 30 10 IKEE Cc1cc(OC(=O)CCc2ccccc2)cc2c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O2 1871385673 GWNKJSLQIYEEPL-HMAPJEAMSA-N 429.428 5.058 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc(OC(=O)CCc3ccccc3)c2C)C1=O 1871385965 WEXNHEJMJXQPLU-ULJHMMPZSA-N 428.484 5.548 30 10 IKEE Cc1cccc(OCCCCOc2ccc3c(c2C)O/C(=C\c2cccc(F)c2)C3=O)c1 1871403281 JFEQDGGGUWQOCU-UQQQWYQISA-N 432.491 6.297 30 10 IKEE COc1ccccc1/C=C1\Oc2c(ccc(O[C@@H](C)C(=O)Nc3ccc(C)cc3)c2C)C1=O 1871406967 KQIVTQLSTNZJHD-XHFXOGKZSA-N 443.499 5.334 30 10 IKEE CCCC[C@H](Oc1cc(C)c2c(c1)O/C(=C\c1cccc(Br)c1)C2=O)C(=O)O 1871423632 VTINBAXECVZEIN-BEWREHSGSA-N 445.309 5.396 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4Cl)cc(C)c3C2=O)c1 1871455498 PFUFASSPXQVAGQ-UUYOSTAYSA-N 449.890 5.291 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3cccc(Cl)c3)cc(C)c2C1=O 1871455850 YTUOEWWONDVQOD-JJFYIABZSA-N 433.891 5.591 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(C(C)C)cc2)[nH]c(N2CCC[C@H](C)C2)n1 1871505132 RSNPAFXERDYXQP-NRFANRHFSA-N 438.664 6.169 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 1871763348 ZRWBDYCZIPRDTR-NRFANRHFSA-N 434.989 5.023 30 10 IKEE C=CCN([C@H](CCC)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1ccc(F)cc1 1871822054 MVASYQIDRNHLPO-HSZRJFAPSA-N 446.588 5.152 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 1871989873 CMVZZMCUEBXQDS-QFIPXVFZSA-N 449.016 5.331 30 10 IKEE C=CCN([C@H](CC(C)C)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1ccccc1 1872212412 ADXYKOVQCBQIBK-HSZRJFAPSA-N 442.625 5.214 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1cccs1 1872556706 MRFGHUIJYHVNHY-FQEVSTJZSA-N 434.627 5.129 30 10 IKEE O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nonc1OCc1ccccc1F 1872693001 HDZMVLPZGRPILP-UHFFFAOYSA-N 449.282 5.078 30 10 IKEE CN(C)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 1872764306 JSNLNXYCSAXWFX-KRWDZBQOSA-N 426.339 5.129 30 10 IKEE CCCCCCCCCCNC1=C(c2c(C)cc(C)cc2C)C(=O)N([C@H](C)CC)C1=O 1873119778 NHXSSECYHYSNPS-JOCHJYFZSA-N 426.645 6.221 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2[C@H](C)CC)=C(c2ccccc2Br)C1=O 1873253715 MDOLHAQRPWWHSZ-OAHLLOKOSA-N 439.353 5.341 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(OC)cc2)=C(c2cc(F)cc(F)c2)C1=O 1873318429 QQAACIMUIYREKH-UHFFFAOYSA-N 442.506 5.526 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1c[nH]c2cc(Cl)ccc12 1873500315 PWTONMUWOCHZFR-BRJLIKDPSA-N 444.391 6.193 30 10 IKEE CC(C)n1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc2cccc(C#N)c2)c2ccccc21 1873867388 VOJDERMAKFBEBT-QFIPXVFZSA-N 446.551 5.168 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](C)Oc1cc(C)cc2oc(=O)cc(CCCC)c12 1873937062 YAXCTZXAMGORTI-NRFANRHFSA-N 443.628 6.468 30 10 IKEE CCCSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1ccc(Cl)cc1 1874212678 ZIITWMWLRSZAAH-LPYMAVHISA-N 449.805 5.669 30 10 IKEE CCCOc1ccccc1/C=N/n1c(COc2cc(C)c(Cl)c(C)c2)nnc1SC 1874215358 ITOAUALQNMZHKW-ZMOGYAJESA-N 444.988 5.520 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccc(F)cc1F 1874231204 YGPRXGFKMZABSK-BHGWPJFGSA-N 434.899 5.257 30 10 IKEE CCCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccc(F)cc1F 1874255990 SHAYDCACDVXVIG-BRJLIKDPSA-N 430.524 5.445 30 10 IKEE CCCCC1CCC(c2nnc(SCC(=O)OCCC)n2/N=C/c2ccco2)CC1 1874287286 XBYCSYMFQAGVOA-HZHRSRAPSA-N 432.590 5.263 30 10 IKEE C=C(C)CSc1nnc(CCc2cccs2)n1/N=C/c1ccc(Cl)cc1Cl 1874371600 HVCGRRSLWGOQKB-SSDVNMTOSA-N 437.421 5.982 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cc(C)ccc3C)n2/N=C/c2cccnc2)cc1 1874389162 JICWRDSBPVENKY-JVWAILMASA-N 427.577 5.364 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2cccc(F)c2)nnc1[C@@H](C)c1ccccc1 1874393125 DJVVHDMRUWMZOK-NLTKLDOMSA-N 446.551 5.752 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2)nnc1[C@H](C)c1ccccc1 1874399402 OQJSMSKTXKDTGN-BWJYWGHISA-N 447.007 6.566 30 10 IKEE Clc1cccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2[C@@H]2CCCO2)c1 1874451126 RXHOZORDLOGQFM-KCDOPAPYSA-N 433.364 5.611 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(O)c(O)c1 1874485146 HCUGDFSXOLCWRQ-AFUMVMLFSA-N 432.549 5.315 30 10 IKEE CCCc1nnc(SCC(=O)N(CCC)CCC)n1/N=C/c1cccc2ccccc12 1874510238 ISRBKHAPUAXMEL-KOEQRZSOSA-N 437.613 5.007 30 10 IKEE COc1cc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C(C)C)ccc1OC(C)C 1874511721 LYWYWGSJAKMRRE-DHRITJCHSA-N 442.560 5.511 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C(C)C)c1 1874515835 ROWUHUPSOFDMOX-ZVHZXABRSA-N 428.989 6.018 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccccc1C(=O)O 1874517325 QFWQAYXZIBUOCU-AUEPDCJTSA-N 449.363 5.581 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(C2CC2)n1/N=C/c1c[nH]c2ccccc12 1874522720 HWTIPGLDMGLBBU-OPEKNORGSA-N 425.920 5.604 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2c(OCc3cccc(F)c3)ccc3ccccc23)cc1 1874581868 JXYGXCISVWYMDS-WUKNDPDISA-N 438.542 7.752 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(F)c(F)c2)c1OCC(=O)Nc1ccc(F)cc1 1874585125 NLVVPWBRYWOAIU-WUXMJOGZSA-N 441.405 5.026 30 10 IKEE CCCNC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1cc(C(C)C)c(OC)cc1C 1874585642 YIWNRRNBQVUEEZ-VQHVLOKHSA-N 443.971 5.582 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2ccccc2OCCc2ccccc2)cc1Cl 1874590512 MBJOWBBANOAVMW-VAWYXSNFSA-N 427.327 6.520 30 10 IKEE O=C(COc1ccccc1/C=C/C(=O)c1cc(Cl)ccc1Cl)Nc1ccc(F)cc1 1874591721 YNUSZKRFUXUUOR-LFYBBSHMSA-N 444.289 6.046 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1OCc1cc(C)ccc1C 1874596618 UGSAVNGONTYWKT-UXBLZVDNSA-N 441.354 7.094 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OCC(=O)N[C@@H](C)c2ccccc2)c1 1874596916 KAHYPZJLKAQANZ-AIGDTVQASA-N 429.516 5.156 30 10 IKEE C=CCOc1c(OC)ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c1Br 1874597105 UYGVSNASPKOCGI-UKTHLTGXSA-N 429.354 6.216 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc1OCc1ccc(C)cc1 1874598291 DXHABUJCSJPLLO-ACCUITESSA-N 444.571 6.919 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccc(F)cc3)c2)c1C 1874599282 FOSPTGMQXGWVDK-MDWZMJQESA-N 431.507 5.973 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1cccc(C)c1 1874602172 YACKCQAIYDETDD-ZHACJKMWSA-N 433.460 5.396 30 10 IKEE O=C(/C=C/c1ccc(OCCc2ccccc2)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 1874615926 UUSXKFYIWKRTBX-UXBLZVDNSA-N 442.298 6.419 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc(Br)c1OCC 1874630330 CECMVCLDOJSQER-CMDGGOBGSA-N 433.342 5.768 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OCc2ccccc2C)c(Cl)c1 1874633459 CWOHLBYTNVBKPT-CSKARUKUSA-N 441.354 7.094 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3cc(C)ccc3OC)c2)c(OC)c1 1874704173 ABRLZAICYQACDM-FMIVXFBMSA-N 446.499 5.065 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)C23CC4CC(CC(C4)C2)C3)c1)c1cccc2ccccc12 1874708273 UROPIZPKPFSJRZ-VAWYXSNFSA-N 436.551 6.858 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(Br)cc3)c2)cc1C 1874713697 KIINMTSKONBYKK-UKTHLTGXSA-N 449.344 6.110 30 10 IKEE CCc1ccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3c(C)cc(C)cc3C)c2)cc1 1874716546 XPTAVQOBDHVAEM-FYWRMAATSA-N 426.556 6.609 30 10 IKEE O=C(CSc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1 1875104628 GURVNGBDWRPRJM-MDWZMJQESA-N 443.351 6.587 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3OC)cc2)cc1 1875117398 DEIAJMXKDZNTNI-QGOAFFKASA-N 430.500 5.528 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)CCCOc2ccccc2C)cc1 1875117413 DRUVKIGJQXLAMI-OBGWFSINSA-N 430.500 5.664 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)CCCSC 1875123109 WBBDJDIXGGZAFN-BJMVGYQFSA-N 439.360 5.947 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)c1ccc(C)cc1 1875123172 DUEAIOCXKUTFEC-DHZHZOJOSA-N 441.310 6.426 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)Cc3ccccc3)c(OC)c2)cc1 1875129868 XTKCYFHISKMYJJ-XNTDXEJSSA-N 446.499 5.147 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3)c(Cl)c2)cc1 1875137289 FVASDHLIYDINGL-OVCLIPMQSA-N 448.946 6.563 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)COc1ccccc1 1875157791 OPJWVHAKSPONTP-KPKJPENVSA-N 440.854 5.368 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2Cl)c1 1875158482 YCSAURDYBMQNOO-YCRREMRBSA-N 440.854 5.612 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)c1cc2ccccc2n1C 1875158711 JPYSVMFESISUOR-RIYZIHGNSA-N 443.474 5.831 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(C)=O)c(Br)c1 1875160779 JDJZRBIDLJBMRQ-RMKNXTFCSA-N 431.326 5.577 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N1CCCCCC1)n2CCCC 1875213460 YILJUOXYKVLGNY-UHFFFAOYSA-N 427.637 6.020 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1CC2(CCC2)CN1C(=O)OC(C)(C)C 1922108273 SIHQPJLTPANDCN-DHIUTWEWSA-N 428.617 5.307 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 1950026844 QLVKDSPLPUCBHH-ROMRWMGNSA-N 427.545 5.028 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@](C)(C#N)[C@@]1(C)CCN1C(=O)OC(C)(C)C 1999895392 AZCAWXAPMFAEFW-DHIUTWEWSA-N 449.979 5.763 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)[C@@H]1C(C)(C)C 2020139391 MHBYORQVSGVVIT-MHECFPHRSA-N 429.561 5.356 30 10 IKEE C=CCCCCCCCC[C@@H](CCCN(Cc1ccccc1)C(=O)OC(C)(C)C)NC 2026313452 NJXGNVSSPGDHGR-VWLOTQADSA-N 430.677 7.099 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CCC2 2037014687 DNUYNHRJTPHRKS-ONBPZOJHSA-N 442.644 5.697 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)CC12CCCC2 2037755154 BFSVMQYPPCVKNI-VWLOTQADSA-N 441.572 5.644 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CN(C(=O)OC(C)(C)C)C(C)(C)C2)c1 2037765577 GEAHDXQNVUOROD-DEOSSOPVSA-N 445.560 5.118 30 10 IKEE CSc1ccc(C=C2SC(=Nc3ccccc3)N(CCCn3ccnc3)C2=O)cc1 2040469699 IPJLVLOUQNCZQN-UHFFFAOYSA-N 434.590 5.299 30 10 IKEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2045241166 PZZTVLFTGJRYDR-DFBJGRDBSA-N 449.636 5.876 30 10 IKEE C=C1CC(C[C@H](NCCC)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)C1 2061657346 PJRFHQZWHMSRFE-IGKIAQTJSA-N 442.644 5.555 30 10 IKEE CCCCCC#CC[C@@H](NCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2083443519 RQHSOSPMJCHBCB-SHQCIBLASA-N 441.660 5.108 30 10 IKEE CN(C(=O)OC(C)(C)C)[C@H]1CC[C@@H](Nc2cc(Br)cc(F)c2C#N)CC1 2107444349 RQXJQBLKDNLFOJ-OKILXGFUSA-N 426.330 5.050 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CCC2)C[C@H]1CNc1cc(Br)cc(F)c1C#N 2163689444 GEHLDPGXJYADKY-AWEZNQCLSA-N 438.341 5.051 30 10 IKEE CCC#C[C@@H](NCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2218458313 PEMASRFCSRPXDM-LEAFIULHSA-N 429.560 5.270 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Br)cc1Cl 2222730230 HENBZKKKOIOJMI-IAGOWNOFSA-N 429.786 5.060 30 10 IKEE CCCCCCC[C@H](O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2229101617 FMGAFFNLTXEZOB-OALUTQOASA-N 428.411 5.606 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)nn1C(C)C 2232458380 KNRPUOVWKSLEEU-QAPCUYQASA-N 443.430 5.127 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(F)c([C@@H](O)C#Cc2ccccc2Br)c1F 2235739960 LICNRJUTWWXVMY-INIZCTEOSA-N 438.268 5.159 30 10 IKEE CCN[C@H](C#Cc1cccc(Cl)c1)c1csc(Br)c1Br 2239467872 MYMSQLRCLVNGQY-CYBMUJFWSA-N 433.596 5.629 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)c1 2241478782 LGQLXWKHKNRUEL-UHFFFAOYSA-N 441.380 5.137 30 10 IKEE C#CCC1(NC(=O)C(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)CCCCC1 2243906243 YIEWNUCINAACIR-UHFFFAOYSA-N 444.575 5.146 30 10 IKEE CC[C@@H](C)N(Cc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2247964562 AAHMETKXKUXBPW-QGZVFWFLSA-N 427.781 5.080 30 10 IKEE CCCCCCCCC(=O)[C@](C)(O)c1cc(Br)c(Br)s1 2281277287 RKGOBIDLVIBLEK-HNNXBMFYSA-N 426.214 5.800 30 10 IKEE Cc1cccc(N=C2SC(=C3Sc4ccccc4N3C)C(=O)N2C2CCCCC2)c1 2295172679 XBHTYHCLKUPMKQ-UHFFFAOYSA-N 435.618 6.302 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)[C@](C)(CC(C)C)NC(=O)OC(C)(C)C 2296283447 GZNFWVZRRQIOTA-KNQAVFIVSA-N 437.422 5.108 30 10 IKEE Cc1cc(Cl)cc([C@@H](N)C#Cc2ccc(Br)cc2)c1NC(=O)OC(C)(C)C 2296307633 WYJXZDDJRZHLEJ-SFHVURJKSA-N 449.776 5.809 30 10 IKEE COc1ccc(COc2ccc3c(c2C)OC(=Cc2cn(C)c4ccccc24)C3=O)cc1 2296604994 SSXRZBWBNNBAIX-UHFFFAOYSA-N 425.484 5.691 30 10 IKEE O=C(Nc1sc(NN=CC=Cc2ccccc2)nc1-c1ccc(Cl)cc1)c1ccco1 2296857822 QCQHVTRWMGDZHH-UHFFFAOYSA-N 448.935 6.420 30 10 IKEE Cc1ccc(C(C=Cc2ccc(Cl)cc2)=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 2296970492 IUDKJALZZXTDRG-UHFFFAOYSA-N 436.855 5.994 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CC2)cc1 2320892159 XTKOKHADCOSSET-UHFFFAOYSA-N 433.364 5.645 30 10 IKEE COc1ccc(C=NNc2ccc(Br)cc2)cc1OCc1ccccc1Cl 2321717911 IYFNQQBTVXUXSB-UHFFFAOYSA-N 445.744 6.136 30 10 IKEE Cc1ccc(COc2ccc3c(c2C)OC(=Cc2ccc(Cl)c(Cl)c2)C3=O)cc1 2321745730 QXGNZKQWWZQTMW-UHFFFAOYSA-N 425.311 6.805 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OCc4ccc(C)cc4)cc(C)c3C2=O)cc1 2321749003 XAOZEPVMIRCOHP-UHFFFAOYSA-N 427.544 6.345 30 10 IKEE Cc1ccc(Cc2nnc(S)n2N=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 2321968502 VCVZLJZNBZRVKG-UHFFFAOYSA-N 436.625 5.649 30 10 IKEE CC(C)c1ccc(C=C2Oc3c(ccc4c3CN([C@@H](C)c3ccccc3)CO4)C2=O)cc1 2322092186 NNIXWPIZJYLODI-IBGZPJMESA-N 425.528 6.339 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc4c3CN(C[C@@H](O)c3ccc(Cl)cc3)CO4)C2=O)cc1 2322234258 HDTLZRJXVAXKKV-JOCHJYFZSA-N 447.918 5.150 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1ccc(F)cc1)c1cccc(Br)c1 2322464760 FOZYJQDKRYKICZ-UHFFFAOYSA-N 445.715 6.717 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OC)c1OCC(=O)Nc1cccc(C)c1 2322657710 MGPPDJSMWVSOJL-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE Cc1c(OC(=O)c2cc3ccccc3o2)ccc2c1OC(=Cc1cccc(Cl)c1)C2=O 2322842793 VNBLUOHUXGHUQC-UHFFFAOYSA-N 430.843 6.230 30 10 IKEE COc1cc(C=NNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1Cl 2322969000 HXJBXPIBAULJKO-UHFFFAOYSA-N 446.290 5.935 30 10 IKEE Cn1cc(C=C2Oc3cc(OC(=O)c4ccc(F)c(F)c4F)ccc3C2=O)c2ccccc21 2323126931 BMRONIAEBLHDDE-UHFFFAOYSA-N 449.384 5.431 30 10 IKEE Cc1c(OC(=O)c2ccc([N+](=O)[O-])cc2)ccc2c1OC(=Cc1cccc(Cl)c1)C2=O 2323149415 VBNWYHSAGYFBRK-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OCC(=O)Nc1cc(C)ccc1C 2323153425 PNZYFTPTEVYMDQ-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE Cc1c(OC(=O)Cc2ccc(F)cc2)ccc2c1OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2323228656 AQPZZFQMZBKVDK-UHFFFAOYSA-N 444.502 6.196 30 10 IKEE O=C(C=Cc1ccc(Br)cc1F)C(=O)N(Cc1ccccc1)c1ccccc1 2323248378 JKMFMRAMEYUABD-UHFFFAOYSA-N 438.296 5.404 30 10 IKEE Cc1nnc(S)n1N=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 2323464867 WGBXQLOCKZJUKU-XMMPIXPASA-N 438.560 5.113 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc3ccccc23)c([N+](=O)[O-])c1)c1cccc(Cl)c1 2323766941 VIEWOLDIKGVXQL-UHFFFAOYSA-N 443.886 6.877 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OCC(=O)Nc2cc(C)ccc2C)cc1 2323991018 PRJLRFHOFQJVMU-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE CC(C)c1ccc(C=C2Oc3c(ccc(O)c3CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)C2=O)cc1 2324097499 IGMFZPXGSPMGKS-PBBNMVCDSA-N 445.603 6.532 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OCc1ccccc1F 2324190813 QUGINSQOSTZHPY-UHFFFAOYSA-N 428.862 6.492 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OCCc1ccccc1 2324545298 LUDCMFCBUGKHSH-UHFFFAOYSA-N 434.963 6.791 30 10 IKEE COc1ccc(OC)c(C=CC(=O)[C@@H](C#N)c2nc(-c3c[nH]c4ccccc34)cs2)c1 2324673168 GMOXQIHQWNRXOL-GOSISDBHSA-N 429.501 5.198 30 10 IKEE O=C1C(=Cc2ccc3c(c2)OCO3)Oc2cc(OC(c3ccccc3)c3ccccc3)ccc21 2325215921 BQYLNLAKWDVBOO-UHFFFAOYSA-N 448.474 6.200 30 10 IKEE Cc1cc(OC(c2ccccc2)c2ccccc2)cc2c1C(=O)C(=Cc1cccc(F)c1)O2 2325216087 BAEZYSGQPJDQIT-UHFFFAOYSA-N 436.482 6.919 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(Cl)cc4F)ccc3C2=O)o1 2325490153 IPNIZXKDUCZPQO-UHFFFAOYSA-N 427.815 5.014 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccc(F)cc4)c3C)C2=O)cc1 2325728369 NDZAMIDQLWYMAS-UHFFFAOYSA-N 447.462 5.167 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)c2)cc1C 2325760413 BAXBYNLFOHASTL-QFIPXVFZSA-N 442.555 6.696 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cccc(Cl)c3)c2)c2ccccc12 2325778101 VZKMOPKVHRFVNS-UHFFFAOYSA-N 442.898 6.617 30 10 IKEE CCCc1nnc(SCc2ccccc2)n1N=Cc1cc(Cl)c(OC)c(Cl)c1 2326220707 ZFTXVBLGLYODDU-UHFFFAOYSA-N 435.380 5.721 30 10 IKEE CCCc1nnc(SCc2ccc(Br)cc2)n1N=Cc1ccccc1Cl 2326620336 BRRDRAWGZDVKGW-UHFFFAOYSA-N 449.805 5.821 30 10 IKEE CCCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccccc1[N+](=O)[O-] 2327771910 UWLYXUOZJGFWQD-UHFFFAOYSA-N 431.521 5.315 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3)n2N=Cc2ccc(O)cc2)cc1C 2328945786 NYWSRASGOJJHNR-UHFFFAOYSA-N 442.588 5.560 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCCC)nnc2-c2ccccc2Cl)cc1 2329603095 VLCUOQQOUGPAPC-UHFFFAOYSA-N 428.989 6.162 30 10 IKEE CC(C)c1ccc(C=CC(=O)[C@@H]2C[C@@H](NC(=O)Nc3ccc(C(C)(C)C)cc3)CCN2)cc1 2329669009 QWNQCDOYCOTQDX-DQEYMECFSA-N 447.623 5.632 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2)n1N=Cc1ccc(O)cc1O 2330108451 JAAMYJKTTKYWNO-QGZVFWFLSA-N 430.533 5.016 30 10 IKEE Fc1ccccc1C=Nn1c(Cc2cccs2)nnc1SCc1ccccc1F 2330393553 RSSBTYYWFBCSGV-UHFFFAOYSA-N 426.517 5.383 30 10 IKEE Clc1ccccc1CSc1nnc(Cc2cccs2)n1N=Cc1cccnc1 2330396066 FEXWSHAPNCDSEQ-UHFFFAOYSA-N 425.970 5.153 30 10 IKEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1Cl 2330645887 NAHDEGNYUZFWBR-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C2CC2)c(Br)c1)c1ccc2c(c1)CCCC2 2330684731 RWTVYCVIBJUEIN-UHFFFAOYSA-N 425.322 5.539 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccccc1OC 2330943926 WGSJUZKPUSRYCI-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)c2ccccc2-c2ccccc2)cc1 2331051796 MJJIGHYKXDKUDA-UHFFFAOYSA-N 434.491 6.478 30 10 IKEE C=C(C)CSc1nnc(C2CCCC2)n1N=Cc1ccc(OCc2ccccc2)cc1 2331069194 IPFVNRMSSBXUMK-UHFFFAOYSA-N 432.593 6.065 30 10 IKEE CCCOc1cccc(C=Nn2c(SCCc3ccccc3)nnc2C2CCCC2)c1 2331077768 LAVSOPXRCFIKLU-UHFFFAOYSA-N 434.609 5.942 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Br)c1OC(=O)CC(C)(C)C 2331177856 GEXHKGLEMWPWGA-UHFFFAOYSA-N 431.326 5.695 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2c(F)cccc2Cl)nnc1-c1ccco1 2331232404 HIGNGAGCOCGOJM-UHFFFAOYSA-N 426.904 5.814 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)c1ccccc1F 2331318702 RSEAAUWIOVLJKO-UHFFFAOYSA-N 434.463 5.575 30 10 IKEE CCCCCOc1ccc(C=Nn2c(CCCC)nnc2SCCC)cc1OCC 2331343543 AORXIGXGDJXQEX-UHFFFAOYSA-N 432.634 5.973 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OC 2331349460 UUYVOCGWKJSXRS-UHFFFAOYSA-N 448.490 5.586 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1F 2331453747 FGIRAXBACWDTGO-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE CCOc1c(C=Nn2c(SCc3ccccc3C)nnc2C2CCC2)cccc1OC 2331491844 RCNCNNMAOJPZAK-UHFFFAOYSA-N 436.581 5.436 30 10 IKEE CCOc1cccc(C=Nn2c(COC)nnc2SCc2cccc3ccccc23)c1 2331595100 NAZRNPUGPWYOCV-UHFFFAOYSA-N 432.549 5.151 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)[C@H](C)c2ccccc2)cc1 2331753559 JBNQDWFOSBGGGI-GOSISDBHSA-N 434.919 6.262 30 10 IKEE CCCCCCC[C@](C)(N)Cc1ccc(I)c(Br)c1 2349823045 WZIZCGOREPXHEK-INIZCTEOSA-N 438.191 5.674 30 10 IKEE CCN[C@H](C#Cc1cccc(Cl)c1)c1sc(Cl)cc1I 2366652045 DSGDGWDXCXLICW-CYBMUJFWSA-N 436.145 5.362 30 10 IKEE CC1=C(C(=O)Nc2cc(C)ccn2)[C@@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N1 1010065 NBXXVQZRWGQZNE-OAQYLSRUSA-N 441.453 5.015 30 10 IKEE C=CCOc1ccc(/C=C2/N=C(c3cc(F)c(F)cc3Cl)OC2=O)c(OCC=C)c1 6073534 LCNDWZKLFJMSFO-DJKKODMXSA-N 431.822 5.092 30 10 IKEE O=C1CCCC2=C1[C@@H](c1ccc(F)cc1)n1nc(SCc3cccc(Cl)c3)nc1N2 9856565 JSRJIODJVUDTAP-HXUWFJFHSA-N 440.931 5.385 30 10 IKEE CCCC[S@@](=O)CSc1nc(-c2ccc(OC)cc2)cc(-c2ccccc2)c1C#N 9993077 FSCYKXRZYATRJC-PMERELPUSA-N 436.602 5.894 30 10 IKEE N#CCc1ccc(NC(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 23332325 UPSHCNCZQNNDHQ-VWLOTQADSA-N 444.966 5.345 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccccc2OC(=O)N(c2ccccc2)c2ccccc2)cc1 34954559 MCJGQSVUMQFHPM-QZQOTICOSA-N 433.507 7.228 30 10 IKEE C=CCOc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2nccs2)cc1 35513000 DAFHVONEIIDCEV-NRFANRHFSA-N 444.512 5.181 30 10 IKEE O=C1/C(=C/c2ccc(F)cc2)Oc2cc(OCc3c(F)c(F)c(F)c(F)c3F)ccc21 39754219 MMOFHRWSMPXJQA-APSNUPSMSA-N 436.307 5.716 30 10 IKEE Cc1c(/N=N/c2cccc(Cl)c2Cl)c(O)n([C@H](C)c2ccccc2)c(=O)c1C#N 39870643 HYDQMMVYPKLCCA-NKYKXMNPSA-N 427.291 6.066 30 10 IKEE C=CCc1ccc(OCCn2c([C@@H](C)NC(=O)C(CC)CC)nc3ccccc32)c(OC)c1 40189410 XHNDDEINPMORFC-LJQANCHMSA-N 449.595 5.466 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1ccc2c(c1C)O/C(=C\c1cccc(C)c1)C2=O 41289928 XNZNNKHXVPLAPP-HMAPJEAMSA-N 430.456 5.156 30 10 IKEE COc1ccc(CN2COc3c(cc4c(c3C)O/C(=C\c3ccc(C)cc3)C4=O)C2)cc1 41586749 GJFPMEUJDPRMFE-MSXFZWOLSA-N 427.500 5.280 30 10 IKEE O=C1N/C(=N\c2ccccc2)S/C1=C/c1cc(/N=N\c2ccccc2Cl)ccc1O 59514451 KQJVRDNZUUHOOF-AOJTVCKGSA-N 434.908 6.353 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)CNc1cc(Cl)cc(Cl)c1 100061319 PLEQTZCHCPSZOF-UHFFFAOYSA-N 443.503 8.003 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2ccc(OC(C)C)cc2)cc1 100182405 ZDEYHWAOTAUCCR-UHFFFAOYSA-N 428.598 5.950 30 10 IKEE COc1ccc(/C=N\n2c(S)nnc2-c2cccs2)cc1OCc1ccc(C)cc1 169912472 JGQWABBWWZFSHY-QRVIBDJDSA-N 436.562 5.074 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2cccc(C)c2C)cc1 169925039 WEWGSPNDPAWKCP-XMMPIXPASA-N 445.490 5.542 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2c2ccc(C)cc2)c1 169934438 APWGFPURIXXARZ-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(OCc3ccc(C)cc3)cc2)NC(=S)N1 169937915 ZRIUXARHDLYUSL-XMMPIXPASA-N 428.557 5.250 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@H](c2cccc(OCc3cccc(Cl)c3)c2)NC(=S)N1 169938402 XMXCXWSIUGBSOX-QHCPKHFHSA-N 448.975 5.595 30 10 IKEE CCN(Cc1ccccc1)c1ccc(/C=N\Nc2nc(-c3cccc(OC)c3)cs2)cc1 169940916 HJYIZKXQNWEVGI-PKAZHMFMSA-N 442.588 6.291 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccc(O)cc2)cc1C 169961073 OSMCLCHKFFLZCZ-DEOSSOPVSA-N 443.499 5.109 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccc(O)cc2)c(C)c1 169963156 FBPNIZULPAUNJG-RUZDIDTESA-N 427.500 5.111 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)C)cc2)[C@H]1c1ccccn1 169992060 VNWPOVLAIRBTDA-QHCPKHFHSA-N 446.478 5.136 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2C2CCCCC2)c1 170039130 FCFMUVHBJGDFSH-DEOSSOPVSA-N 449.547 5.313 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2ccc(F)cc2)cc1 170061932 FMBMDBIXTJUVQK-HXUWFJFHSA-N 436.508 5.244 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2cccc(C)c2)c1 170141072 RQPVFUOPYUHJCS-BVZFJXPGSA-N 439.511 5.410 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccc(C(C)(C)C)cc1 170150281 YGZXBSGIUAOQKB-WAIKUNEKSA-N 433.548 5.296 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1cccc(OC(C)C)c1 170153561 PTTRUKPYUIDUMY-QHCPKHFHSA-N 437.536 5.249 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2cccs2)c1 170156139 OKQJRXUNWQKEDZ-XMMPIXPASA-N 443.568 6.027 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@@H]1c1cccnc1 170185144 WTBQVTMJZQFYGU-HSZRJFAPSA-N 442.515 5.107 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2)cc1C 170223550 JJMXQHARKJXVGU-DEOSSOPVSA-N 445.490 5.706 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1ccccc1 170228699 OVUITUYQQCQHDB-DEOSSOPVSA-N 427.500 5.565 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccccc2)c1 170229046 RLUFYPVVNFWUTA-HSZRJFAPSA-N 449.453 5.535 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@@H]1c1ccc(Cl)cc1 170236334 CTMMJLTUFIWSHL-IBGZPJMESA-N 434.319 5.380 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccc(F)cc2)cc1 170240244 JKQKNSJSCQNLDU-XMMPIXPASA-N 445.490 5.706 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(CC)cc2)cc1 170266638 RLQYSJIETGIXQS-DEOSSOPVSA-N 433.548 5.559 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1C 170272226 CJNFHMSBZQACBL-VWLOTQADSA-N 439.555 6.384 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cc3cc(Cl)ccc3o2)=C(O)C(=O)N1c1ccccc1 170272275 FAJPHOKJQNRUOH-HSZRJFAPSA-N 443.886 6.178 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2C)cc1C(C)(C)C 170278301 GVZNYVLIYGENDG-DEOSSOPVSA-N 447.575 5.822 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccco2)cc1 170283228 DDDFTUPZJNIMPP-HSZRJFAPSA-N 431.488 5.412 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2ccco2)s1 170284472 MQHPSUVRUDKKJN-KRWDZBQOSA-N 428.897 5.098 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(C)o2)c1 170299744 BZGZETIFQXHQCS-FQEVSTJZSA-N 441.842 5.172 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@@H]1c1ccc(C)o1 170309857 CCRCYRYPCDERDK-FQEVSTJZSA-N 431.916 5.409 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1c(C)[nH]c2ccccc12 170312034 XERZLZCAULNONB-IZHWHUGBSA-N 444.531 5.178 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2sccc2C)cc1 170317245 XPCSGZMNEZGMBH-OAQYLSRUSA-N 448.544 5.019 30 10 IKEE C[C@@H]1C[C@@H](C)CN(Cc2c(O)ccc3c2O/C(=C/c2ccc(Cl)cc2Cl)C3=O)C1 229043102 ASMRQDHESBTGRW-CYUUGMIWSA-N 432.347 5.793 30 10 IKEE CCOc1ccc(N=C2S/C(=C/c3cc(Cl)cc(Cl)c3O)C(=O)N2CC)cc1 252641563 ZEWMQOOSMCAZQP-ZZYMSUEGSA-N 437.348 5.722 30 10 IKEE CC(C)(C)c1ccc(CSc2nnc(N/N=C/c3cccc(Cl)c3Cl)[nH]2)cc1 253563439 FKWQSDYYDZEJPZ-FOKLQQMPSA-N 434.396 6.147 30 10 IKEE C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C/c1cccc(Cl)c1Cl)C2=O 253578366 YGBQOUNQDOEMKJ-XMGORJNDSA-N 445.430 6.880 30 10 IKEE Cc1ccc2c(c1)C(=NNc1ncnc3sc4c(c13)CCCC4)C[C@@H](c1ccccc1)O2 254506355 XTDFSYOBMUEUFA-QFIPXVFZSA-N 440.572 6.219 30 10 IKEE O=C(CON=Cc1ccc(Cl)cc1Cl)Nc1ccccc1Sc1ccccc1 254737185 VHFNYIOGAYJDOI-UHFFFAOYSA-N 431.344 6.134 30 10 IKEE CCCCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2C)SC1=Nc1ccccc1C 254839023 RSWJBZHXCCEBMG-QLMUGPIMSA-N 439.606 5.778 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1ccccc1N=Cc1cccnc1Cl 254841263 PGTXYAHKAXNBKU-HNNXBMFYSA-N 444.387 6.567 30 10 IKEE N#CC[C@@H](Nc1cc(Br)ccc1I)c1ccccc1 311717551 LICLRICRHICLHF-CQSZACIVSA-N 427.083 5.121 30 10 IKEE COc1ccccc1[C@@H]1C(c2cccc3ccccc23)=C(O)C(=O)N1c1ccc(C#N)cc1 526489973 CKPISHHXCFZAMR-AREMUKBSSA-N 432.479 5.777 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccs2)cc1OC 526518086 VDXGTBYINDWLMY-HSZRJFAPSA-N 446.528 5.474 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2cccc3ccccc23)[C@@H]1c1ccc(Cl)cc1 526610059 IWIYIALNVNNQOC-VWLOTQADSA-N 436.898 6.422 30 10 IKEE C=CCN(c1cccc(Br)c1)S(=O)(=O)c1ccc(CCCCCC)cc1 586231994 ZTIWXGBMLRRCKY-UHFFFAOYSA-N 436.415 5.953 30 10 IKEE COCc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)cc1 698454764 XQDBUMHOGZGFSZ-LJQANCHMSA-N 431.330 5.602 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1ccc(C(F)F)cc1 698457709 QWKXTQKJMOSMRB-KRWDZBQOSA-N 437.284 6.393 30 10 IKEE C[C@H]1CC(=Nc2ccc(C(F)(F)F)cc2)c2cc(F)ccc2N1C(=O)c1ccc(F)cc1 1088670928 PIAXDIHRDQGADK-AWEZNQCLSA-N 444.403 6.543 30 10 IKEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1507919032 KLYLLIOSGNOHJR-UHFFFAOYSA-N 448.615 5.288 30 10 IKEE CN1[C@H](c2ccccc2)C[C@H](/N=C/c2ccccc2)[C@@H](c2ccccc2)[C@H]1c1ccccc1 1613962658 VOXJOUOUCQMCPD-FHVQDNORSA-N 430.595 7.076 30 10 IKEE O=C1N=C(NN=Cc2ccccc2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccccc1 1772724034 BSXDHRGRFCACGD-WCYATWDFSA-N 449.539 5.133 30 10 IKEE Cc1csc(N=C2S/C(=C/c3ccc4c(c3)OCO4)C(=O)N2C2CCCCC2)n1 1772733838 AROXGNFJPAURIG-QWQVIQCHSA-N 427.551 5.117 30 10 IKEE COc1ccc(OC)c(/C=C2/SC(=Nc3nccs3)N(C3CCCCC3)C2=O)c1 1772734981 OZSHSUWYCXRMQJ-RVNILFKFSA-N 429.567 5.097 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)SC1=Nc1ccncc1Cl 1772736841 ZZBRGQONLFWMFW-XRRPQMRDSA-N 444.343 6.272 30 10 IKEE O=C1/C(=C/c2ccccc2F)SC(=NN=C/C=C/c2ccccc2)N1Cc1ccco1 1772759030 KABWHWKATCWJBJ-SFLFBNFKSA-N 431.492 5.590 30 10 IKEE CC(C)c1nc2scc(-c3ccc(C(C)(C)C)cc3)c2c(=O)n1Cc1cccc(C#N)c1 1857802542 YCXRAXLGCJFDEZ-UHFFFAOYSA-N 441.600 6.466 30 10 IKEE CCCOc1ccc(-c2nc3ccc(C(=O)Nc4cccc(C#N)c4)cc3[nH]2)cc1OCC 1861860341 XEYUXUNSPCQOOO-UHFFFAOYSA-N 440.503 5.541 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1cccc(F)c1)c1ccccc1Cl 1862430319 ICNDFMCNFHWIQL-QFIPXVFZSA-N 435.882 5.300 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(OC)c(OC)c1 1862437102 JLYBGWHVXQILSK-NRFANRHFSA-N 443.927 5.126 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CC)cc1 1862438776 QWYKPMOWRKOLNG-NRFANRHFSA-N 427.928 5.507 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(C(F)(F)F)cc1 1862466811 BBHBXJYCWJKSPO-QGZVFWFLSA-N 443.343 5.111 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2ccc(F)cc2F)cc1 1862478063 YCLHIHHGRXEBPN-XMMPIXPASA-N 447.481 5.669 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 1862533197 JJQGPNJDMGJEMV-LERMDLETSA-N 448.519 5.314 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccccc1Cl)c1ccc2c(c1)CCCC2 1862546148 QUUGARKOLRMIKM-HSZRJFAPSA-N 435.951 5.740 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)cc1 1862561642 VZNJINPQLUEVHU-OZWPHOJSSA-N 432.564 5.549 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C2CCCCCC2)c1 1862625397 FDKMKBJPNGYIDZ-QHCPKHFHSA-N 433.504 5.025 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(F)cc2)=C(O)C(=O)N1Cc1cccc(Cl)c1 1862674169 KYCQTZMXOKVPTP-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(F)c2)c1 1862674404 VVXMZMRHRYBIJH-HSZRJFAPSA-N 433.454 5.360 30 10 IKEE COc1cc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCC(C)C)ccc1O 1862720252 UHWLUXIUPQMUKH-DEOSSOPVSA-N 445.515 5.178 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(OCC)cc2)=C(c2ccc(C)cc2)C1=O 1863262252 UHTPXESFDPDTIN-UHFFFAOYSA-N 434.580 5.946 30 10 IKEE Cc1cc(C2=C(Nc3ccccc3C#N)C(=O)N(Cc3cccc(Cl)c3)C2=O)ccc1F 1863469800 ZAQZNWBLFIDLNX-UHFFFAOYSA-N 445.881 5.051 30 10 IKEE CCCCCCCCNC1=C(c2ccc(F)c(C)c2)C(=O)N([C@H](C)c2ccccc2)C1=O 1863794370 VREURCKAEISTIY-HXUWFJFHSA-N 436.571 5.925 30 10 IKEE Cc1cccc2cc3c(nc12)N(c1cc(Nc2ccc(C#N)cc2)nc(C(C)(C)C)n1)CC3 1868355959 SWPGBACOPUFPTD-UHFFFAOYSA-N 434.547 5.940 30 10 IKEE CCOc1ccc(-c2nc(Nc3ccc(C#N)cc3)cc(N3C[C@@H](C)OCC3(C)C)n2)cc1 1868535193 GIWHXKZJVPZLOI-GOSISDBHSA-N 443.551 5.161 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N2CCC(C)CC2)nn1-c1ccc(Cl)cc1 1869939899 OSSCCTRNBMDTGL-UHFFFAOYSA-N 432.012 5.846 30 10 IKEE CCCCCCCOc1cn(CC)c(CN(Cc2ccccc2)Cc2ccccc2)cc1=O 1870410916 KVUGMRFGQQQENX-UHFFFAOYSA-N 446.635 6.420 30 10 IKEE C#CCOc1cn(CCCCC)c(CN(Cc2ccccc2)Cc2ccccc2)cc1=O 1870561965 LFWOYDLVAPMUJN-UHFFFAOYSA-N 428.576 5.253 30 10 IKEE CCCCCCCOc1cn(CCCOCC)c(CNc2ccc3cc[nH]c3c2)cc1=O 1870830767 YJVZWHOBBRTMBE-UHFFFAOYSA-N 439.600 5.718 30 10 IKEE CCCCCCCOc1cn(Cc2cccnc2)c(CNc2ccc(F)c(F)c2)cc1=O 1870833906 ZHSHZICPHDRYSO-UHFFFAOYSA-N 441.522 5.531 30 10 IKEE C#CCOc1cn(CCC2=CCCCC2)c(CNc2ccc(OC(F)(F)F)cc2)cc1=O 1871008938 VWKGDJVKOVUKQI-UHFFFAOYSA-N 446.469 5.262 30 10 IKEE C[C@H]1CCCC[C@H]1N1COc2ccc3c(c2C1)O/C(=C\c1cn(C)c2ccccc12)C3=O 1871351179 OLOSKOBDZHUJAJ-OKBFXZSESA-N 428.532 5.525 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc([N+](=O)[O-])cc1)C3=O)CN(Cc1ccccc1F)CO2 1871352546 PHJPXOFOWYHRDD-YVNNLAQVSA-N 446.434 5.011 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc(C)c3C2=O)cc1 1871374767 CIRJOIKHLNTNJB-JJFYIABZSA-N 429.428 5.355 30 10 IKEE CCn1cc(/C=C2\Oc3c(CN(C)C4CCCCC4)c(O)cc(C)c3C2=O)c2ccccc21 1871393616 ZMCPXKPUHVWWPI-MYYYXRDXSA-N 444.575 6.056 30 10 IKEE CCc1ccc(NC(=O)[C@H](CC)Oc2ccc3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871425865 RORDZBFLNBXGPB-XPRKOMQSSA-N 441.527 5.970 30 10 IKEE Cc1c(OCc2c(Cl)ccc(Cl)c2Cl)ccc2c1O/C(=C\c1ccncc1)C2=O 1871428415 ZUWQHOFXIIOGEH-GRSHGNNSSA-N 446.717 6.545 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O 1871431855 PDGIHCQVWXXIFP-ICODJCHTSA-N 431.463 5.465 30 10 IKEE COc1ccc(CCOc2cc(C)c3c(c2)O/C(=C\c2ccc(OC)cc2OC)C3=O)cc1 1871448718 XLESZCODPHFVOG-QFEZKATASA-N 446.499 5.259 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccccc4Cl)c3C)C2=O)c1 1871455835 YBHHRTOCBHAJJD-XKZIYDEJSA-N 449.890 5.291 30 10 IKEE C=CCN([C@H](C(=O)Nc1cc(C)ccc1C)[C@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872572049 OWOUMLOWJCFUJT-KOSHJBKYSA-N 442.625 5.150 30 10 IKEE N#C[C@@H](C(=O)Cc1cc(Cl)ccc1Cl)c1nc(-c2ccc3ccccc3c2)cs1 1872760209 JMAUVYYFUVUTGS-IBGZPJMESA-N 437.351 6.689 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@@H](C#N)C(=O)c2ccccc2Br)n1 1872781501 VMXCJPSKMHIHAI-INIZCTEOSA-N 441.350 5.688 30 10 IKEE COc1cc(OC)c(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(C)cc3)n2)cc1Cl 1872782866 OTEVTQLPUGYWTI-IJDCCNJMSA-N 438.936 5.679 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccccc3)n2)cc1Cl 1872785735 VALAEFUQCGXAPJ-QGZVFWFLSA-N 426.925 5.508 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)Cc3ccc(Cl)c(Cl)c3)n2)cc1C 1872787503 KYLQSLXWLGZKEQ-MRXNPFEDSA-N 445.371 6.161 30 10 IKEE N#C[C@@H](C(=O)/C(=C\c1ccccc1)c1ccccc1)c1nc(-c2ccc(Cl)s2)cs1 1872789639 PJVSJBBEBORRNY-LJLZWOEMSA-N 446.984 6.942 30 10 IKEE CCCCCCCCCCNC(=O)c1cccc(COc2cc(C)ccc2C(C)(C)C)c1 1872833496 MHKXARKHKXLMTL-UHFFFAOYSA-N 437.668 7.742 30 10 IKEE C=CCn1c(C(=O)Nc2ccc3cc[nH]c3c2)cc2c(NCCC3=CCCCC3)ncnc21 1873639083 FMWKZYIHAXIEDZ-UHFFFAOYSA-N 440.551 5.653 30 10 IKEE CN1C(=O)C[C@@H](C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1c1cccc(F)c1 1874181147 JHXOIHZCQPTMSE-WBVHZDCISA-N 448.338 5.021 30 10 IKEE C=CCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1cn(C)c2ccccc12 1874247048 JLCIMMQTGWLPPO-YZSQISJMSA-N 445.592 5.250 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccc(OC)cc1 1874263111 HXVFYCNGRGIJQS-FSJBWODESA-N 428.945 5.070 30 10 IKEE CCCOc1cccc(/C=N/n2c(Cc3ccc(OCC)cc3)nnc2SCCC)c1 1874304173 LNJQDQIFGWCJLX-XIEYBQDHSA-N 438.597 5.441 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc(OC)c2)n1/N=C/c1cccc2ccccc12 1874310239 LOVDHPSVZHRIKP-WPWMEQJKSA-N 442.588 5.776 30 10 IKEE Cc1cccc(OCc2nnc(SCCc3ccccc3)n2/N=C/c2ccccn2)c1C 1874324758 LTKBPYMTSKJYNO-WPWMEQJKSA-N 443.576 5.086 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccccc3)n2/N=C/c2ccccc2C)cc1 1874382411 OEVAFBLGLMMJEA-WGOQTCKBSA-N 428.561 5.648 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)cc3)n2/N=C/c2ccc(O)c(O)c2)cc1 1874387198 ACLZMGSKTJPVPO-CVKSISIWSA-N 444.560 5.071 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3cccs3)n2/N=C/c2ccccc2O)c1 1874412116 CVTXMBXFEFWNJZ-ZVHZXABRSA-N 434.590 5.427 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2-c2cccs2)cc1 1874423961 NOTSYUDMQVATCO-ZVHZXABRSA-N 439.009 6.397 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C(C)(C)C)c1 1874484521 ZVZVEDHTCOAQCI-MFKUBSTISA-N 443.016 6.192 30 10 IKEE C=CCSc1nnc(C2CCC2)n1/N=C/c1ccc(OCc2ccccc2)c(OCC)c1 1874496386 JJHMQARWXXZKJB-YZSQISJMSA-N 448.592 5.684 30 10 IKEE CCCSc1nnc(C(C)C)n1/N=C/c1ccc(OCCc2ccccc2)c(OC)c1 1874515408 WSTGNWKRDARTBN-KOEQRZSOSA-N 438.597 5.416 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc(Br)cc1 1874515448 XYHBJIAFGAQSHS-SSDVNMTOSA-N 449.805 5.992 30 10 IKEE CSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1/N=C/c1cccc(C)c1 1874542243 PZEXIUVDFZLJNP-ZVHZXABRSA-N 428.989 5.472 30 10 IKEE CCc1ccc(C(=O)/C=C/c2c(OCC(=O)Nc3ccc(C)cc3)ccc3ccccc23)cc1 1874572708 AYVPRKKQLPRHPK-ISLYRVAYSA-N 449.550 6.624 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccccc2Cl)c1OCCc1ccccc1 1874574920 LLRKEOOJOWNRQO-VAWYXSNFSA-N 427.327 6.520 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(F)cc2)o1 1874584049 TZJOQCQHYDCIND-BJMVGYQFSA-N 428.843 5.724 30 10 IKEE CCc1ccccc1NC(=O)COc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC 1874596222 PEGGTDXNFHDSCA-WYMLVPIESA-N 443.543 5.788 30 10 IKEE Cc1cccc(COc2ccc(/C=C/C(=O)c3ccc(Cl)c(Cl)c3)cc2[N+](=O)[O-])c1 1874615805 RESOYIJNDOYXPC-WEVVVXLNSA-N 442.298 6.685 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OCc2cccc3ccccc23)c(Cl)c1 1874619791 SQDGHINFDKULDO-ACCUITESSA-N 442.942 7.285 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1OC(=O)c1ccncc1 1874695161 NGUBIAXFLKSAEL-QHHAFSJGSA-N 428.271 5.512 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cc(C)cc(C)c3)c2)cc1 1874702038 QHIDILDWXKGJLL-WUXMJOGZSA-N 444.527 6.216 30 10 IKEE COc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3cccc4ccccc34)c2)cc1OC 1874708378 ZWGPLMACVZNORR-FYWRMAATSA-N 438.479 5.972 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)c1)c1ccc(F)c(F)c1 1874710779 JHUHQBJARJWTNZ-FZTBYCBGSA-N 438.857 6.223 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)Cc2ccccc2Cl)c1 1874717929 GIIFVYGTSMGNPW-PKNBQFBNSA-N 441.310 6.046 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(Cl)cc2)CSc2nnc(CCCC)n21 1874892885 DLEQHGKGPHMNAW-FQEVSTJZSA-N 449.064 6.336 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)c1 1875088586 VTAIUTQGEXOESR-SOFGYWHQSA-N 435.863 5.980 30 10 IKEE O=C(Cc1ccc(Cl)c(Cl)c1)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1 1875120255 KIKHGBWXFYTFJM-ONNFQVAWSA-N 447.264 6.316 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 1875126022 LYXSBKUDMLOJPH-QQDOKKFESA-N 442.254 6.017 30 10 IKEE CCCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2cc(C)ccc2C)cc1OC 1875140757 WGPHRSAUEZSMOK-MDZDMXLPSA-N 431.326 5.676 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1 1875156241 QREUXDRSAATUQW-WOJGMQOQSA-N 444.527 6.089 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 1875179039 PTHDBAJNBYNWDM-LFYBBSHMSA-N 431.444 5.336 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3c(C)cc(C)cc3C)cc2Cl)cc1 1875182672 OXUMGBZOKTWGEP-WUXMJOGZSA-N 448.946 6.779 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2ccc(OC(=O)CCCSC)cc2)cc1Cl 1875185454 DSQIIWFDLKVZJR-JXMROGBWSA-N 439.360 5.947 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1875191989 OJGSYABAAQFTLI-UUILKARUSA-N 437.835 5.372 30 10 IKEE Cc1ccc(C(=O)NCCSc2cn(Cc3ccccc3)c3ccccc23)cc1C#N 1891755241 DZDZPXGRTCUHQI-UHFFFAOYSA-N 425.557 5.392 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)[C@H]2CCC[C@@H]21 1926544843 HSSFCDCDAUQDRF-JXQFQVJHSA-N 445.535 5.249 30 10 IKEE CC[C@H]1N(C(=O)OC(C)(C)C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1991578995 MSAJRQKDCUNOJE-VGSWGCGISA-N 435.952 5.373 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H]1CCC[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C 2005267132 IGDLHWRRFXQWCG-KEZOAJOQSA-N 428.617 5.163 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C)([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 2022136903 XBQPGAKJHTXWPY-FDDCHVKYSA-N 449.979 5.621 30 10 IKEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@H](C#N)[C@@]1(C)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2022144049 HFNKUWCKJYFZHO-JLTOFOAXSA-N 449.514 5.104 30 10 IKEE CCN[C@@]1(C#N)C[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)CCC1(C)C 2037862995 KVOHWMYYKQJUND-XTEPFMGCSA-N 432.656 5.071 30 10 IKEE Cn1c(=O)c(C(=O)C=Cc2ccc3c(c2)OCO3)c(-c2ccccc2)c2cc(Cl)ccc21 2042449327 JMWNMWSRARGPOF-UHFFFAOYSA-N 443.886 5.484 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@@H]1C(C)C 2067959635 WOYPTIVYSAFEMT-CJFMBICVSA-N 443.588 5.664 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@H](C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2077947526 IRYCRMDZBOUDHE-UXHICEINSA-N 449.636 5.874 30 10 IKEE C[C@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)(F)F)c(C=NO)c1Br 2079846734 HTVBGRZWUOXQIY-ZCFIWIBFSA-N 448.136 5.240 30 10 IKEE CC[C@@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)F)c(C=NO)c1Br 2079992479 DQSHNZYTAOFPLH-NSHDSACASA-N 444.173 5.549 30 10 IKEE C=CCC1([C@H](Cc2ccc(Cl)cc2Br)NC)CN(C(=O)OC(C)(C)C)C1 2088513131 WEZXZDYOAAFJOC-KRWDZBQOSA-N 443.813 5.046 30 10 IKEE Cc1cc(F)c([C@@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)c(Br)c1 2116785901 CQUPWMMOFZEPDM-MRXNPFEDSA-N 439.350 5.960 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(CNc3cc(Br)cc(F)c3C#N)CCC[C@H]12 2163692772 QQNGJUOOBLFBAO-FXAWDEMLSA-N 438.341 5.051 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCC(F)(F)CC1(C)C 2165014544 IIDANDFBUAWNIU-IBGZPJMESA-N 443.332 6.298 30 10 IKEE COc1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)ccc1F 2166599720 NOAYSOFEJQRPII-QGZVFWFLSA-N 435.293 5.603 30 10 IKEE N#Cc1ncc(Br)cc1N[C@H]1CN(Cc2ccccc2)C2(CCCCC2)C1 2167613632 NXERLYQYHHUMNL-LJQANCHMSA-N 425.374 5.105 30 10 IKEE CCN(Cc1ccc(Nc2cccc(Br)c2C#N)cc1)C(=O)OC(C)(C)C 2169056043 FMCRYKQSIKOOTP-UHFFFAOYSA-N 430.346 5.821 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2c(F)cc(C)cc2Br)cc1 2173405476 QJYHJGKSACQJJC-GOSISDBHSA-N 433.321 6.211 30 10 IKEE Cc1cc(C(=O)Nc2ccc(Br)c(C#N)c2)ccc1NC(=O)OC(C)(C)C 2180963503 YXPLUMQINROYCJ-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCCC)c2cc(C)cc(Br)c2F)C1 2197747076 BHGFJLFGKVZVEE-SFHVURJKSA-N 441.385 5.551 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(F)c(C(=O)C#Cc2ccccc2Br)c1F 2235730052 URUFYDSCSZNIAK-UHFFFAOYSA-N 436.252 5.309 30 10 IKEE C=CCCCCC[C@H](NC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237425955 ZLKUUOSWIWVNKZ-VQTJNVASSA-N 439.438 5.609 30 10 IKEE Cc1c(Br)sc([C@@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)c1C 2241381680 YMOAYLDCZVHUIJ-MRXNPFEDSA-N 435.387 6.129 30 10 IKEE CC(C)(C)N(Cc1ccccc1)C(=O)c1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2247778444 BYQZLMJKKVDXJS-UHFFFAOYSA-N 427.781 5.080 30 10 IKEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)[C@@H](C)C(C)C 2247915819 KEBHSEWPTFSVSL-KRWDZBQOSA-N 427.419 5.043 30 10 IKEE C=CC1(C[C@@H](NCC)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)CCC1 2248460562 LBZPPWPTXGTEQG-JOCHJYFZSA-N 428.617 5.165 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)C1C[C@@H]2C[C@H](C1)CN(C(=O)OC(C)(C)C)C2 2258602654 XNLKXJMIPMCEKE-DVMHTGGUSA-N 442.644 5.411 30 10 IKEE CN(Cc1ccccc1NC(=O)OC(C)(C)C)C(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1 2266996993 AYEQASZLWCXWMV-UHFFFAOYSA-N 444.381 5.009 30 10 IKEE C=CCC1(COc2ncc(Br)cc2C)CCN(C(=O)OC(C)(C)C)CC1 2272148495 IFPVIHNEXKYZLW-UHFFFAOYSA-N 425.367 5.125 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2cccc(Br)c2C#N)C[C@H]1C(F)(F)F 2279229006 UJZMNGNXKCWOIP-ABAIWWIYSA-N 448.283 5.063 30 10 IKEE COc1ccc(CN2C(=O)C(=Cc3ccccc3[N+](=O)[O-])SC2=Nc2ccccc2)cc1 2293976817 QSHQBXVYRIWIJZ-UHFFFAOYSA-N 445.500 5.408 30 10 IKEE O=C(C=Cc1ccc(-c2ccccc2OC(F)(F)F)o1)c1cccc(OC(F)(F)F)c1 2294965778 GPHUZZNZWRVTQO-UHFFFAOYSA-N 442.311 6.640 30 10 IKEE CCCCCCCCCCOc1ccc(C2=NC(=Cc3ccc(OCC)cc3)C(=O)O2)cc1 2297182761 LHYNERIHICUYKK-UHFFFAOYSA-N 449.591 6.949 30 10 IKEE CCN1C(=O)C(=C2Sc3ccc(OC)cc3N2C)SC1=Nc1ccc2ccccc2c1 2297707782 LCILTPXBLZCMHB-UHFFFAOYSA-N 447.585 5.842 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 2302797069 XKJASCHSVODGCJ-QRVBRYPASA-N 449.979 5.667 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@](C#N)(N(C(=O)OC(C)(C)C)c3ccccc3)C[C@@]2(C)C1 2309552687 KQSMBMFHZVBJNO-YWWLGCSWSA-N 441.572 5.357 30 10 IKEE COc1ccccc1C=Nn1c(SCc2ccc(Cl)cc2Cl)nnc1C1CC1 2320909377 QRLWBDQNPZBESU-UHFFFAOYSA-N 433.364 5.645 30 10 IKEE COc1ccc(CCc2nnc(S)n2N=Cc2cccc(Oc3ccccc3)c2)cc1 2322078825 LZEPQCBTGFNYCL-UHFFFAOYSA-N 430.533 5.035 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(Cl)cc2)c1OCC(=O)N[C@H](C)c1ccccc1 2322542303 WPYSGNRGWYLRIG-GOSISDBHSA-N 449.934 5.501 30 10 IKEE CCc1ccccc1NC(=O)COc1c(C=CC(=O)c2ccc(C)cc2C)cccc1OC 2322579694 ALUOBTZPTWBEPG-UHFFFAOYSA-N 443.543 5.788 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccccc1OCC(=O)Nc1cc(C)ccc1C 2322845637 PNPQWCDOVXRJND-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OC(=O)c4cccc(C)c4)ccc3C2=O)cc1 2322880967 TYBOJEKMJUHSAN-UHFFFAOYSA-N 427.500 5.677 30 10 IKEE COc1ccc(CC(=O)Oc2ccc3c(c2C)OC(=CC=Cc2ccccc2)C3=O)cc1 2322904337 DJDXBVAEDLXAJK-UHFFFAOYSA-N 426.468 5.324 30 10 IKEE O=C(C=Cc1cccc(OCc2c(F)cccc2Cl)c1)c1ccc(Cl)c(Cl)c1 2323149837 YFWLZOSUMGYGRJ-UHFFFAOYSA-N 435.709 7.261 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1)NCc1ccco1 2323341798 NTVCRZMWCQYEJP-UHFFFAOYSA-N 437.495 5.538 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(CC)cc3)cc2OCC)o1 2323481471 BXDYUACWTPZIHP-UHFFFAOYSA-N 448.515 5.893 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 2323481485 FKEXKAJNEYHACN-UHFFFAOYSA-N 443.543 5.870 30 10 IKEE CCCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C)cc2)C3=O)c1 2323919642 ZTVILJMWRZMSDV-UHFFFAOYSA-N 442.467 5.536 30 10 IKEE Cc1cc(O)c(CN2CCC(Cc3ccccc3)CC2)c2c1C(=O)C(=Cc1ccco1)O2 2324029862 LMHAWHMQNWHBMG-UHFFFAOYSA-N 429.516 5.365 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3)c([N+](=O)[O-])c2)cc1 2324169481 QWMUOXDPNLWCJZ-UHFFFAOYSA-N 444.487 5.632 30 10 IKEE COc1ccccc1C=C1Oc2cc(O[C@@H](C)C(=O)Nc3ccc(F)cc3)cc(C)c2C1=O 2324312725 WFNOSOUHZUOWGJ-INIZCTEOSA-N 447.462 5.165 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)c(C)c1 2324494199 ATCITYMUMFEWPO-QGZVFWFLSA-N 447.918 5.979 30 10 IKEE Cc1ccc(COc2ccc(C=CC(=O)c3cc(C(C)(C)C)ccc3C)cc2[N+](=O)[O-])cc1 2324581241 IIORARVTJMXRJV-UHFFFAOYSA-N 443.543 6.984 30 10 IKEE Cc1cc(OCCCCOc2ccccc2)cc2c1C(=O)C(=Cc1cccc(Cl)c1)O2 2324582550 HVBHVUDLTQPZNF-UHFFFAOYSA-N 434.919 6.503 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)C=Cc2ccc(Cl)cc2)n1 2324781156 GSUCYVSIGNNKJP-SFHVURJKSA-N 443.355 6.324 30 10 IKEE CCN(CC)CCOc1ccc2c(c1C)OC(=Cc1ccccc1Br)C2=O 2325703618 JMXLYJCXJJHIGX-UHFFFAOYSA-N 430.342 5.094 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2cccc(C=CC(=O)c3cccc(OC)c3)c2)cc1 2325707582 XECOPEZLFIWJQZ-UHFFFAOYSA-N 444.527 5.918 30 10 IKEE O=C(Oc1cccc(C=CC(=O)c2ccc(Cl)cc2Cl)c1)c1cccc(Cl)c1 2325709922 WPAREVXZXDVFRM-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2OC)cc1OC(=O)Cc1ccc(F)cc1F 2325722674 BNZPRNFWGBHFAZ-UHFFFAOYSA-N 438.426 5.026 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1OC(=O)c1ccc(Cl)cc1 2325724830 KDLVTIDVQRONPF-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)C=Cc1cc(OC)ccc1OC 2325731969 XNRSIUCDTPYBCF-SANMLTNESA-N 446.632 5.259 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc(OCC(=O)Nc3ccccc3F)c2C)C1=O 2325739435 JOTXRSRRCZHULE-UHFFFAOYSA-N 447.462 5.167 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2cccc(C=CC(=O)c3cc(C)ccc3C)c2)cc1 2325740428 BQYLXDKCJYVLPD-UHFFFAOYSA-N 428.528 6.273 30 10 IKEE CCc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(Oc4ccccc4)cc3)c2)cc1 2325754947 ZDWZPEAGRRQDQF-UHFFFAOYSA-N 448.518 7.157 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1OC(=O)c1ccccc1OC 2325756555 MXDXTWTZZIWHKE-UHFFFAOYSA-N 444.527 6.053 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccc(OCC)cc1 2326545786 GCHWTGRWYNGQIA-UHFFFAOYSA-N 444.988 5.602 30 10 IKEE C=CCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccccc1OCCC 2327768131 YKAJWTLEPNYCNP-UHFFFAOYSA-N 442.588 5.971 30 10 IKEE CCCSc1nnc(CCOc2ccccc2)n1N=Cc1ccc(Br)cc1 2329207893 IEJQCKDNKUWQPN-UHFFFAOYSA-N 445.386 5.046 30 10 IKEE C(=Nn1c(CCc2cccs2)nnc1SCc1cccc2ccccc12)c1ccco1 2329674758 NMYLTGFMFOTQRX-UHFFFAOYSA-N 444.585 6.046 30 10 IKEE CCCCOc1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SC)cc1OCC 2329793678 GIMDJVLROAEOHJ-UHFFFAOYSA-N 442.560 5.190 30 10 IKEE COc1ccccc1C=Nn1c(COc2ccccc2)nnc1SCc1cccc(F)c1 2329897334 IMYPSRVTMNIGTF-UHFFFAOYSA-N 448.523 5.179 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@@H](C)c3ccccc3)n2N=Cc2cccc(F)c2)c1 2330109568 CYWDDHPVSFALMT-FQEVSTJZSA-N 444.579 6.360 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2Cl)n1N=Cc1ccccc1 2330110645 YKEDEJBUBBMTAM-GOSISDBHSA-N 432.980 6.258 30 10 IKEE Fc1ccc(CSc2nnc(CC3CCCCC3)n2N=Cc2ccccc2F)cc1 2330234285 VLKSHVFLLXLSRV-UHFFFAOYSA-N 426.536 5.854 30 10 IKEE Fc1ccc(C=NNC(=S)NC(c2ccccc2)c2ccccc2)cc1Br 2330441149 LEYJYXUXOANPRF-UHFFFAOYSA-N 442.357 5.176 30 10 IKEE Cn1cc(C=Nn2c(SCc3cccc(F)c3)nnc2-c2cccs2)c2ccccc21 2330556616 NFPUQKCPIXLKIA-UHFFFAOYSA-N 447.564 5.812 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3F)c(OCC)c2)cc1 2330842385 BRLCWDRKHIKCIG-UHFFFAOYSA-N 446.518 6.682 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2[C@H]2CCCO2)cc1 2330910518 PBFPGTSRENPASX-OAQYLSRUSA-N 440.544 5.232 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2cc(C)ccc2C)nnc1[C@@H]1CCCO1 2330993961 MXWLEPYIJMSJJD-QHCPKHFHSA-N 448.592 5.486 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)c1ccc(OC(C)=O)cc1 2331330004 IYBJUUQAZNCSCE-UHFFFAOYSA-N 444.483 5.353 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2OC)cc1 2331430645 OKCICDLWDMDEBD-UHFFFAOYSA-N 442.555 6.670 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(Br)cc1 2331434249 LYOPZEFDHGRSRL-UHFFFAOYSA-N 447.377 5.553 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2Cl)cc1 2331520943 SGNJTDXKBNDBCL-UHFFFAOYSA-N 438.882 5.922 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)COc1ccc(C)c(C)c1 2331540057 ADONJITZMNVTQM-UHFFFAOYSA-N 434.463 5.332 30 10 IKEE COc1cc(C=Nn2c(SCc3ccc(F)cc3)nnc2C(C)C)ccc1OC(C)C 2331685443 LYWYWGSJAKMRRE-UHFFFAOYSA-N 442.560 5.511 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2cccc(Cl)c2)nnc1C(C)C 2331708101 APEVHYWHXPKOOC-UHFFFAOYSA-N 426.973 5.794 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C)c(Cl)cc3OC)cc2)cc1 2331741434 VTCVLWYRVIMYOE-UHFFFAOYSA-N 434.919 6.335 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1 2331764592 PYGNOABPMYPVOJ-UHFFFAOYSA-N 444.527 5.891 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2ccc(OC(=O)C3CC3)c(Cl)c2)cc1Cl 2331808413 LFIGCEDCOQIXJB-UHFFFAOYSA-N 425.695 5.867 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)ccc1OC(=O)C(C)(C)C 2331814781 KKMLYADVENMIJE-UHFFFAOYSA-N 437.319 5.858 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)cc3)c(OC)c2)cc1C 2331854613 AYTFQYULZCFILT-UHFFFAOYSA-N 430.500 5.744 30 10 IKEE CC1(C)[C@@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C[C@H]1OCc1ccccc1 2339574997 QGYFLSOGLSYHON-NPTPTYOFSA-N 434.389 5.522 30 10 IKEE Cc1cc(COc2cccc(OCc3ccccc3)c2)ccc1B1OC(C)(C)C(C)(C)O1 2343655878 ILLNLLAULHLSBT-UHFFFAOYSA-N 430.353 5.452 30 10 IKEE Cc1cc(Nc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)c(C)cc1Br 2364915700 IWSJGTBOUZOGEH-UHFFFAOYSA-N 437.574 5.157 30 10 IKEE CC1(C)CCN(Cc2ccccc2)CCN1c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2365061626 YABVAEBNKLNWQJ-UHFFFAOYSA-N 447.432 5.217 30 10 IKEE CC1(C)OB(C=Cc2ccc(NC[C@H]3CCCCN(Cc4ccccc4)C3)nc2)OC1(C)C 2365116105 UICWTKVBUGVPAP-XMMPIXPASA-N 447.432 5.440 30 10 IKEE Clc1ccc(CSc2n[nH]c(NN=C(Cc3ccccc3)Cc3ccccc3)n2)cc1 20908529 SXWGCKSDWNAOJP-UHFFFAOYSA-N 447.995 6.004 30 10 IKEE COc1ccccc1/C=C1/CN(Cc2ccccc2)C/C(=C\c2ccccc2OC)C1=O 33696097 QETQTKNXDBHZSW-DRPBVWSQSA-N 425.528 5.256 30 10 IKEE C=CCn1c(SCc2cc(=O)oc3ccc4ccccc4c23)nc2sccc2c1=O 36800627 HERJTGSKYIOADE-UHFFFAOYSA-N 432.526 5.196 30 10 IKEE COc1cccc(/C(C)=C2\S/C(=N/c3cccnc3Cl)N(c3ccccc3)C2=O)c1 39864082 WEPJQTNUELOXDH-PKPRBZMYSA-N 435.936 5.942 30 10 IKEE COc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3ccc(C)cc3)C4)C2=O)cc1 41587476 FGZIBWUMGFCRFG-MSXFZWOLSA-N 427.500 5.280 30 10 IKEE COc1ccc(CN2COc3cc(C)c4c(c3C2)O/C(=C\c2cccc(C)c2)C4=O)cc1 41647695 IEPMWIURLWJLTN-CFRMEGHHSA-N 427.500 5.280 30 10 IKEE CC[C@H](C)c1ccc(N/C(=N/C(=O)c2ccc(OC)c(OC)c2)NCc2ccncc2)cc1 45940377 NZUGZJNIBOSLPW-SFHVURJKSA-N 446.551 5.010 30 10 IKEE CN(c1ccccc1)c1ccc(/C=N/Nc2ccc(I)cc2)cc1 59159929 GTDVKDZRPMVWSG-PXLXIMEGSA-N 427.289 5.505 30 10 IKEE CCCCCCn1c2ccccc2c2nnc(N/N=C/c3ccccc3OCCC)nc21 65002976 MQWOODPUFVTRKY-NLRVBDNBSA-N 430.556 5.795 30 10 IKEE C=C1S/C(=N/c2cccc(OC)c2)N(C(=O)c2c(F)cccc2F)C12CCCCC2 100369372 PNAWPTPDCQXDPU-XTCLZLMSSA-N 428.504 6.067 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1cccc(O[C@@H](C)CC)c1 100444056 FLMXHTBQCLZFGR-NRFANRHFSA-N 434.690 7.378 30 10 IKEE CCCCCCCCCCCCn1c(CCNC(=O)c2ccccc2)nc2ccccc21 102138113 KVTSHTKDCFMMRK-UHFFFAOYSA-N 433.640 6.930 30 10 IKEE COc1cc(/C=C2/Oc3cc(OC/C=C/c4ccccc4)ccc3C2=O)cc(OC)c1OC 103023464 ZTGBLCKWTGTTRV-FCDISAAASA-N 444.483 5.421 30 10 IKEE O=C1C=C(Cl)[C@@H]2C=C(Nc3ccccc3)[C@@H]3C(=O)C=C(Cl)c4cc(Cl)c1c2c43 103693179 DKTMGOWAHFWZTD-AMXDTQDGSA-N 428.702 5.998 30 10 IKEE Cc1nn(-c2nc(-c3ccccc3)cs2)c(O)c1[C@@H](c1ccc(Cl)cc1)C(C#N)C#N 105573022 WPAPOSCLPSSEFF-NRFANRHFSA-N 445.935 5.458 30 10 IKEE CCOc1ccccc1/C=C1/Oc2cc(OC(=O)c3ccc(C(C)(C)C)cc3)ccc2C1=O 110520764 SUDZWMJMOPRIQD-PCLIKHOPSA-N 442.511 6.218 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)NC1CC(C)(C)N(O)C(C)(C)C1 136737771 UHBHLTPCCYNHDF-UHFFFAOYSA-N 438.741 7.775 30 10 IKEE N#C[C@@H](C(=O)c1cc(Br)ccc1Br)c1ccc(Cl)cc1Cl 160719392 CYDJETMSTLVNQZ-GFCCVEGCSA-N 447.941 6.008 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OCC(=O)Nc1ccccc1 164030900 XLQDTUAYWHXBDO-MHWRWJLKSA-N 443.543 6.122 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccc(OC)cc2)cc1 169923302 NINBIOPNDWFWBR-RUZDIDTESA-N 441.527 5.657 30 10 IKEE CCN(Cc1ccccc1)c1ccc(/C=N\Nc2nc(-c3ccc(F)cc3)cs2)cc1 169942563 YTOJCKFUFWYKJN-YUMHPJSZSA-N 430.552 6.422 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(O)cc2)c1 169960582 CPARYYWLNLUZEE-JOCHJYFZSA-N 433.891 5.445 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC)c3)[C@@H]2c2cccs2)cc1 169984933 YKEHJVXWFJVCHA-QFIPXVFZSA-N 449.528 5.328 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2cccs2)c(C)c1 169988105 BPLZACCEOAJNCF-FQEVSTJZSA-N 441.455 5.126 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccccc2)cc1 170048991 GUOJCMKJFABTFY-DEOSSOPVSA-N 427.500 5.602 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccccc2F)c1 170069185 NWKVZUZMXXWYNW-JOCHJYFZSA-N 435.426 5.065 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(C)o1 170100314 WBUNUBRXHLVCIW-OAQYLSRUSA-N 437.879 5.029 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2sccc2C)c1 170105247 JNKJXXOSOUUGCD-QFIPXVFZSA-N 433.529 5.167 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@@H]1c1ccc(O)cc1 170136687 RXQJZBOLUSVSAN-QFIPXVFZSA-N 437.536 5.077 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccc(C)c2)cc1C 170143006 RHMHVBSEAYNLQJ-RUZDIDTESA-N 441.527 5.712 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2OC)[C@@H]1c1ccc(CC)cc1 170268192 OOZSASGUTRZPLS-QHCPKHFHSA-N 437.536 5.035 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1CCCOC(C)C 170278056 SEOBVRIGSOFDTI-QHCPKHFHSA-N 433.504 5.135 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2C)ccc1Cl 170278283 XFDUDXPRGJQGBA-NRFANRHFSA-N 425.912 5.178 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccco2)cc1Cl 170285600 OULRGGYRFHCXMX-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccco2)cc1Cl 170288410 DWUDRGYGJYOSPX-QHCPKHFHSA-N 443.886 6.178 30 10 IKEE CCN(CC)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2cccc(C)c2)cc1 170342994 NNFNYVCAASMJNB-QHCPKHFHSA-N 430.504 5.217 30 10 IKEE COc1ccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2cccc(OC(F)(F)F)c2)cc1 170426195 XOYRUPOUZWEASG-FQEVSTJZSA-N 449.425 5.109 30 10 IKEE CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C/C(=C/c5cn(C)nc5C)C(=O)[C@@]4(C)CC[C@H]32)C1 254656114 DXRJBJUDWMWZPC-PPNPWPBBSA-N 436.596 5.185 30 10 IKEE O=C(ON=Cc1c(F)cccc1Cl)c1ccc(Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1 254763485 GZBZSICRMJAYEZ-UHFFFAOYSA-N 449.221 6.024 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccsc1Br)NCCC 406225587 HLGICVFJUCXKFT-JKSUJKDBSA-N 431.440 5.281 30 10 IKEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)c(Cl)c1F 407166066 AQMCLNQWUJTMKX-PBHICJAKSA-N 447.776 5.199 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Br)ccc1C)NCCC 407531420 QTOBTMZFSOUDPB-OALUTQOASA-N 425.411 5.138 30 10 IKEE CC(C)COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccs2)c1 526514369 ATTONGVLWPHXMB-HSZRJFAPSA-N 430.529 5.712 30 10 IKEE CC(C)COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(O)cc2)c1 526514742 CSHPNPHGMMPSRX-VWLOTQADSA-N 440.499 5.356 30 10 IKEE CN(C)c1ccc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526605605 CWOQAABXUFUDPK-QHCPKHFHSA-N 429.907 5.335 30 10 IKEE Cc1ccc(SC2=C(Nc3ccc(F)c(F)c3)C(=O)N(c3ccccc3C#N)C2=O)cc1 526663221 JKXRGAZSMGHCCP-UHFFFAOYSA-N 447.466 5.134 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1ccccc1OCCC 526809309 IJWKFUGTXBAMHN-ONUIUJJFSA-N 436.625 6.201 30 10 IKEE CCOc1cc(/C=N\n2c(C)nnc2SCc2cc(C)cc(C)c2)cc(Cl)c1OC 526809601 IWRPVSFIBXCEGN-MSXFZWOLSA-N 444.988 5.439 30 10 IKEE CCCCCCCCCC/C=C/[C@H]1CC(=O)N(CCC[N+](C)(C)Cc2ccccc2)C1=O 575629761 LRCMLWDZKDANJH-WFTVZMDTSA-N 441.680 6.115 30 10 IKEE 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)c1cccc(F)c1 698832070 PKEBPCCBJPYDHS-QILBDFMCSA-N 445.535 5.105 30 10 IKEE CCCCCCCCCC[C@@H](O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 702385017 RVLDOJLGYWUOOI-SQHAQQRYSA-N 446.676 6.048 30 10 IKEE C=CCCCCC[C@@H](NC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 708581544 GBFOJMANCAWAAS-WOJBJXKFSA-N 439.438 5.609 30 10 IKEE C=CCC1(C(=O)c2ccc(Br)c(Cl)c2F)CN(C(=O)OC(C)(C)C)C1 722949541 FPGNZADLHXEEBQ-UHFFFAOYSA-N 432.717 5.238 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCC[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C1 724033164 OYRQJUSUCRCLNM-AOMKIAJQSA-N 435.590 5.215 30 10 IKEE Cc1ccc(C)n1-c1ccc(N=Cc2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)cc1 1084402835 OKWZJUVKVGQGMQ-UHFFFAOYSA-N 445.950 6.604 30 10 IKEE CC(=C\c1ccccc1)/C=C1/SC(=NN=Cc2ccc(O)cc2)N(Cc2ccco2)C1=O 1772757520 GWPCDCHUSNSEHY-BPTPUJEQSA-N 443.528 5.438 30 10 IKEE CCc1nc2cc(C(=O)Nc3c(C#N)cnn3-c3ccccc3)ccc2n1C1CCCCC1 1859761234 WBDAZCFNUDPAIJ-UHFFFAOYSA-N 438.535 5.414 30 10 IKEE CC(C)(C)c1ccc(NC(=O)COc2cccc(NC(=O)c3cccc(C#N)c3)c2)cc1 1860133448 URAABZLFCGKGRS-UHFFFAOYSA-N 427.504 5.126 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)CCc1ccc(OC)cc1 1861081099 XVWOIDJNXVYYEI-DEOSSOPVSA-N 432.649 5.560 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 1861121216 YBXIDMIMICJFGG-WQEMPZKUSA-N 431.577 5.150 30 10 IKEE COc1cc(-c2nc3ccc(C(=O)Nc4cccc(C#N)c4)cc3[nH]2)ccc1OCC(C)C 1861859990 FFIVMKDQZOPNBZ-UHFFFAOYSA-N 440.503 5.397 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCc2cccs2)cc1 1862478952 VGZPDXHXOCWGSW-HSZRJFAPSA-N 447.556 5.276 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2cccc3ccccc23)cc1 1862480196 AESIKWWFNRLQBX-DEOSSOPVSA-N 429.516 5.152 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccc3cc[nH]c3c2)c1 1862491252 ONECBWOUXOXQLL-DEOSSOPVSA-N 446.547 5.178 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2cccc([N+](=O)[O-])c2)c1 1862491777 BOKCNRHXLZXIRG-ODOSVJCGSA-N 448.519 5.369 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2c(F)cccc2Cl)c1 1862495367 XMRYUTBHBUXHEZ-QHCPKHFHSA-N 449.909 5.874 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862515835 FYMJJFVDRCVQNZ-QMHKHESXSA-N 432.520 5.334 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(C(C)(C)C)cc1 1862549665 UNZJRUXTFFHWCS-VWLOTQADSA-N 445.603 6.097 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1cccc(F)c1 1862591052 UCCQAJWEQQJMJW-SIKLNZKXSA-N 425.500 5.469 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)cc1 1862596440 NTSAYRYZAFPWRT-OZWPHOJSSA-N 449.547 5.338 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(O)cc2)cc1 1862662695 KIDOQIDBQUYTAD-QFIPXVFZSA-N 433.529 5.356 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc(F)c1 1862672319 AGNIYDJBAYRXLF-UNMCSNQZSA-N 427.491 5.902 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc(OC)c1 1862672558 CXFYMKBAZKLCNG-HSZRJFAPSA-N 439.527 5.773 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc(Cl)c1 1862675797 UGTYMRQSZOTIGY-QRQCRPRQSA-N 435.882 5.819 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cc(Cl)cc(Cl)c1)c1ccc(F)cc1 1862679921 QFJKHFRWNOBPRC-LJQANCHMSA-N 446.261 5.504 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862691948 ZITUVLQEJDVKPP-RUZDIDTESA-N 447.575 6.120 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCC(C)C)cc1 1862711707 ASGUDDZNTFZCCZ-XMMPIXPASA-N 429.516 5.473 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862715573 PCTOJLSDXZEFAI-MHZLTWQESA-N 447.534 6.181 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccc(Cl)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1863029577 PTOXAFWJZDJXLP-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(CC)cc2)=C(c2ccc(C)cc2)C1=O 1863262149 PEXVZBAPIAQZQB-UHFFFAOYSA-N 446.635 6.890 30 10 IKEE N#Cc1ccc(Nc2cc(N3CCc4ccc([N+](=O)[O-])cc43)nc(Cc3ccccc3)n2)cc1 1868220200 YBEXMEQLQVHEOB-UHFFFAOYSA-N 448.486 5.285 30 10 IKEE CN1CCN(c2cc(Nc3ccccc3C#N)nc(C(C)(C)C)n2)C[C@@H]1c1ccc(F)cc1 1868351161 RAZHONQDIYDCLV-JOCHJYFZSA-N 444.558 5.022 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3ccc([N+](=O)[O-])cc32)nc(-c2ccc(C)cc2)n1 1869157761 MBRIRBKPSTUOMY-UHFFFAOYSA-N 427.508 5.233 30 10 IKEE CCCCCCCCn1cc(OCC(=O)Nc2c(Cl)cccc2Cl)c(=O)cc1C 1870091355 FMRIRUUTGOVHDY-UHFFFAOYSA-N 439.383 5.842 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2)c(=O)cc1CSc1ccccn1 1870271436 KBMDLIWJXCOMBP-UHFFFAOYSA-N 436.621 6.475 30 10 IKEE C=CCOc1cn(CCC)c(CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1=O 1870808320 VTRDZHOJHNVSDR-UHFFFAOYSA-N 434.380 5.473 30 10 IKEE CCCCCCCOc1cn(C[C@H]2CCCO2)c(CNc2ccccc2C(C)C)cc1=O 1870833403 HIYBIJDMFPWBKV-HSZRJFAPSA-N 440.628 6.112 30 10 IKEE C=CCn1cc(OCC2CCCCC2)c(=O)cc1CNc1ccc(Oc2ccccc2)cc1 1870913560 SCOSYNULSNMPHD-UHFFFAOYSA-N 444.575 6.398 30 10 IKEE C#CCOc1cn(CCC2=CCCCC2)c(CNc2ccc(C(F)(F)F)cc2)cc1=O 1871008565 BTVSPKRGZGMAQQ-UHFFFAOYSA-N 430.470 5.382 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OC(=O)/C(Cl)=C/c3ccccc3)c2C)C1=O 1871377301 FCKFGRNUJKRHJO-NNCOSQCDSA-N 430.887 6.105 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)ccc3C2=O)c1 1871383086 CAYWNFOLCNBUCV-FBHDLOMBSA-N 435.819 5.392 30 10 IKEE Cc1cc(OC(=O)/C=C/c2ccccc2)cc2c1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O2 1871385434 SECQDFJGPLPHIE-LAUHTZEZSA-N 427.412 5.138 30 10 IKEE CC(C)=C1Oc2cc(OCC(=O)N3c4ccccc4Sc4ccccc43)ccc2C1=O 1871443073 YNAIFANHAKZGBN-UHFFFAOYSA-N 429.497 5.764 30 10 IKEE COc1ccc(CCOc2ccc3c(c2C)O/C(=C\c2ccc(OC)c(OC)c2)C3=O)cc1 1871447691 BTFXEHYHBFEJSL-XYGWBWBKSA-N 446.499 5.259 30 10 IKEE Cc1c(OCCN2CCCCC2)ccc2c1O/C(=C\c1cccc(Br)c1)C2=O 1871451339 QBSHENYSYUYZIS-QNGOZBTKSA-N 442.353 5.238 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(C)c(C)c1)[C@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1871911133 NXOZAQQKLPQXFJ-ZHRRBRCNSA-N 449.016 5.187 30 10 IKEE C=CCN([C@@H](CC(C)C)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1cc(C)ccc1C 1871983791 KJVMFQFRRYPYJW-QHCPKHFHSA-N 442.625 5.150 30 10 IKEE C=CCN([C@@H](C(=O)Nc1cc(C)cc(C)c1)[C@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1871998717 VGCQSWZIZVIISH-HYBUGGRVSA-N 442.625 5.150 30 10 IKEE N#C[C@@H](C(=O)CCOc1ccccc1)c1nc(-c2cccc(Br)c2)cs1 1872763442 MHQJEPHVCZPDHP-KRWDZBQOSA-N 427.323 5.218 30 10 IKEE CCOC(=O)Oc1ccc(C(=O)[C@H](C#N)c2nc(-c3cc(C)ccc3OC)cs2)cc1 1872772230 LTIDDFYSNBAQOC-SFHVURJKSA-N 436.489 5.153 30 10 IKEE CC(C)c1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(Cl)c(Cl)c3)n2)cc1 1872776688 UYOZEGBMPPDWHU-YDMXYTAQSA-N 441.383 7.130 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)cc1 1872778136 DYERWDQBYOAYGW-NBILRRPASA-N 432.545 5.724 30 10 IKEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2[nH]1 1872809179 LDJOCNPWGBAGGP-UHFFFAOYSA-N 447.922 5.921 30 10 IKEE COC(=O)c1cccc(NC(=O)c2ccc(CSc3nc(C)c(C)c(C)c3C#N)cc2)c1 1872895325 OKPDHOFJDOGYLA-UHFFFAOYSA-N 445.544 5.210 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(Cl)cc1)n2CC 1873619550 HQJSQGVOBKTTHX-UHFFFAOYSA-N 427.980 6.129 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)c(C)c2)cc2c(N(C)Cc3ccccc3)ncnc21 1873661186 ZUJJRIOTUFYYCJ-UHFFFAOYSA-N 445.954 5.468 30 10 IKEE CCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1/N=C/c1cccs1 1874196640 UKSDFWOYVADYEB-LPYMAVHISA-N 430.599 5.219 30 10 IKEE CCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1cccc2ccccc12 1874232175 PWNZPJWYBYMWKR-TURZUDJPSA-N 436.584 6.364 30 10 IKEE CCCCC1CCC(c2nnc(SCC(=O)OC)n2/N=C/c2sccc2C)CC1 1874287831 ZMPMTPBDRMDVML-LPYMAVHISA-N 434.631 5.259 30 10 IKEE C=C(C)CSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1cccc(OC)c1O 1874287875 BQNBAPCSWYPTAR-MFKUBSTISA-N 442.629 6.007 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2)cc1 1874303702 NNHPYUVXRYNJJR-NLRVBDNBSA-N 428.561 5.442 30 10 IKEE COc1ccc(CCc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2)cc1 1874305611 GIVSYIIWRVCKQG-NLRVBDNBSA-N 428.561 5.246 30 10 IKEE CCc1ccc(/C=N/n2c(CCc3ccccc3C)nnc2SCc2ccccc2)cc1 1874362618 NQVOPOZBUCNFDP-TURZUDJPSA-N 440.616 6.109 30 10 IKEE Fc1cccc(Cl)c1/C=N/n1c(CC2CCCCC2)nnc1SCc1ccccc1 1874407985 ZHXXXFWXVOGLJH-CVKSISIWSA-N 442.991 6.368 30 10 IKEE Cc1ccccc1/C=N/n1c(Cc2ccccc2)nnc1SCc1cccc2ccccc12 1874418767 HTAUHCIAMYCZLY-VUTHCHCSSA-N 448.595 6.505 30 10 IKEE O=C(CSc1nnc(-c2ccccc2)n1/N=C/c1ccc(Cl)cc1)Nc1ccccc1 1874426179 UVXJTPLCQWPEQF-MFKUBSTISA-N 447.951 5.212 30 10 IKEE COc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccc(Cl)cc2)c1O 1874440115 JSCZWYWDNBMYQX-ZMOGYAJESA-N 444.988 5.409 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CCC2)c1 1874497213 AKRKMCMHFISACP-BHGWPJFGSA-N 447.391 6.041 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccccc2C)n1/N=C/c1cccc2ccccc12 1874503677 UWKAYLGQVKUWFE-WGOQTCKBSA-N 443.576 5.305 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(N(C)C)cc1 1874509629 MUGBSQOKBGWZRM-ZMOGYAJESA-N 431.968 5.264 30 10 IKEE CCCSc1nnc(CC)n1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1874526118 QOKFKDYPPCPRMV-YZSQISJMSA-N 430.577 5.957 30 10 IKEE O=C(/C=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccc(F)c(F)c1 1874585103 LWNWEQXOGAGDDN-ACCUITESSA-N 434.869 7.247 30 10 IKEE C=C(C)COc1c(OC)ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)c1Br 1874599515 QBMKHNVUVQWMBB-CSKARUKUSA-N 443.381 6.542 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1Cl 1874612414 UATDTEKBVMJIDS-CSKARUKUSA-N 434.363 5.917 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OCC(=O)Nc1cccc(C)c1 1874633386 ZQIPJBHCAQEPCK-JLHYYAGUSA-N 443.543 5.924 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1Cl 1874636217 PTYYORMCJFDELJ-NTUHNPAUSA-N 435.907 5.571 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1OC(=O)[C@H](C)c1ccccc1 1874710861 LEIAMWZEPVDFGG-VSFZPWCASA-N 444.527 5.926 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2Cl)c(Cl)c1)c1ccc2ccccc2c1 1875096393 MBSCJDCTKLFYAZ-UKTHLTGXSA-N 447.317 7.262 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)ccc1OC(=O)Cc1ccccc1F 1875100685 IUDKAPJNCAAGJO-ACCUITESSA-N 434.463 5.277 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1 1875104922 VCMUCVLBMLLGOO-RIYZIHGNSA-N 425.311 6.428 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2Cl)cc1 1875116863 WPAYGRSYFKBXHD-SWGQDTFXSA-N 437.835 5.372 30 10 IKEE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc(/C=C/C(=O)c3cccc(Cl)c3)cc2)cc1 1875123424 KWHZHCKNGLBGIX-SCFJZMLDSA-N 448.946 6.732 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1[N+](=O)[O-] 1875126986 JNQQJBYEINTKJW-FYWRMAATSA-N 437.451 5.792 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@@H]2CCCO2)c(Cl)c1)c1ccc(Cl)c(Cl)c1 1875135523 VCKQETOGCBPBNX-CZXUKVBWSA-N 425.695 5.627 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)c1c(F)cccc1Cl 1875140011 LOEITROGCNMEJU-PKNBQFBNSA-N 438.882 6.220 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)CC(C)(C)C)c(OC)c2)cc1F 1875153045 YUTGBPCVISWNSF-SOFGYWHQSA-N 434.891 5.734 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2OC)cc1 1875153056 ZCNKJLOSQPLACL-IZZDOVSWSA-N 430.456 5.102 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)C3CCC3)c(Br)c2)cc1 1875155523 HNNCSKHQEFIQLS-WUXMJOGZSA-N 427.338 6.174 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)c1sccc1C 1875159024 YMKPIHMMGDNIJV-IZZDOVSWSA-N 436.504 6.048 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1Cl 1875162697 QCAAVTXHDXGAER-IZZDOVSWSA-N 426.846 6.053 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(C)cc2)cc1 1875167657 GFHXNAQCLIUSMC-KPKJPENVSA-N 441.310 6.426 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccnc3)c(Cl)c2)c2ccccc12 1875189998 FLPNYLAMNXDKOA-DHZHZOJOSA-N 443.886 6.012 30 10 IKEE C=CCn1c(C(=O)N2CCC(Cc3ccccc3)CC2)cc2c(NCCC(C)C)ncnc21 1875227557 DWEDHINNRMLTAB-UHFFFAOYSA-N 445.611 5.170 30 10 IKEE C=CCn1c(C(=O)N2CCC[C@H](C)C2)cc2c(NCCCCCCCCCC)ncnc21 1875228751 CABFSWMOJSSZKF-NRFANRHFSA-N 439.648 6.042 30 10 IKEE C=CCCC[C@@H](NCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875645924 IQMPBAPNAJMYQI-GGXMVOPNSA-N 445.603 6.212 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@](C)(C#N)C(C)(C)C(F)(F)F 1878631562 CJTJDSGZKQUPKK-QGZVFWFLSA-N 435.284 6.061 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@@](C#N)(N(CC1CC1)C(=O)OC(C)(C)C)C2 1949540515 RYIMVZXNWLBTNK-XMMPIXPASA-N 433.593 5.097 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C1 1981722489 GMXSKKBIPPMDEJ-JOCHJYFZSA-N 435.590 5.169 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H]([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 1993188653 OUULTTYMOJVMBT-MAUKXSAKSA-N 435.952 5.231 30 10 IKEE C=C(COCc1ccccc1)[C@H](N)c1ccc(NC(=O)OC(C)(C)C)c(C(F)(F)F)c1 2005294387 CRKOITZQBOMHTG-FQEVSTJZSA-N 436.474 5.825 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@H](C#N)[C@]1(C)CCCN1C(=O)OC(C)(C)C 2020802530 NSWFCUVYIDVAQL-JPYJTQIMSA-N 449.979 5.763 30 10 IKEE CC(C)[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)CN1Cc1ccccc1 2029760964 DWMPMXYUCVJTLM-RPLLCQBOSA-N 439.644 6.139 30 10 IKEE CCC[C@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1OC 2033623465 LFDWKWDLQZOLAK-MJGOQNOKSA-N 447.576 5.270 30 10 IKEE C=C([C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCC)C(C)(C)C 2035474943 FUJXJZPOZRMXEN-QHCPKHFHSA-N 443.676 5.516 30 10 IKEE CCCCCCCCC[C@H](N)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2041896496 KETYMPCCUKQDJG-RPLLCQBOSA-N 446.676 6.298 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)Cc2cc(Cl)ccc2Br)C1 2062978919 JLJODJHZDYYGSS-UHFFFAOYSA-N 428.754 5.075 30 10 IKEE C=CCC[C@@H](NCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071348055 GDYZZHWWRKOHQW-LEAFIULHSA-N 431.576 5.822 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2sc(C)cc2Br)cc1 2089742996 GKHJFKBMEBKBEL-INIZCTEOSA-N 437.359 5.834 30 10 IKEE C=CCCCCC[C@@H](NCC)[C@H](O)c1cc(Br)c(Br)s1 2147717284 GYSBUEFOPSRZMO-OCCSQVGLSA-N 425.230 5.421 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCC(F)(F)CC1(C)C 2165014545 IIDANDFBUAWNIU-LJQANCHMSA-N 443.332 6.298 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc2c1CCN(c1ccc(Br)cc1C#N)C2 2174814463 IHZZTWJPBLQGLI-UHFFFAOYSA-N 428.330 5.230 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(Br)cc2C#N)cc1F 2181134889 LRNVHIFHNYYAHL-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE Cc1sc([C@H](C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)c(C)c1Br 2214022238 HQBKAGYPEUPDAF-JTQLQIEISA-N 427.286 5.492 30 10 IKEE C=CCCCCCCC[C@H](O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2214620087 DXDHOTOGHFQWHZ-OZXSUGGESA-N 430.633 5.433 30 10 IKEE CSCC1(NC(=O)OC(C)(C)C)CC(C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C1 2216808644 RZFHEJMDLVRWJF-UHFFFAOYSA-N 447.601 5.111 30 10 IKEE C=CCN(CC[C@@H](NCCC)c1cc(Br)nn1C(C)C)C(=O)OC(C)(C)C 2232464091 HXEWMNLJGFTABL-MRXNPFEDSA-N 443.430 5.080 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCCC)c2cc(C)c(Br)c(C)c2)C1 2235608269 IWARIFROPXYHOD-LJQANCHMSA-N 437.422 5.720 30 10 IKEE CC#CCC[C@H](NCCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237400419 OEJHZLIUQFSWOB-PMACEKPBSA-N 437.422 5.057 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(NC(=O)[C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)c(Cl)c1 2247944386 OIYWTDUSRLCCQF-UONOGXRCSA-N 436.745 5.108 30 10 IKEE CC[C@@H](C)N(Cc1ccccc1)C(=O)c1cccc(Cl)c1B1OC(C)(C)C(C)(C)O1 2248079209 RNEAXQHQKDQFHL-QGZVFWFLSA-N 427.781 5.080 30 10 IKEE C=C(COCc1ccccc1)[C@]1(OCCCN)CCC(F)(F)C[C@H]1OCc1ccccc1 2262618294 GOUYTGNEPSMWNJ-AOYPEHQESA-N 445.550 5.268 30 10 IKEE C=C(C)CCCC[C@@H](N)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2271749848 HSNPJJDHSFXGEL-RTBURBONSA-N 425.411 5.349 30 10 IKEE CCC[C@H](CCNC(=O)OC(C)(C)C)CC[C@@H](O)C#Cc1cccc(Br)c1 2296227118 MCCFPFQNPZYGEG-FXAWDEMLSA-N 438.406 5.273 30 10 IKEE CCN=C1SC(=Cc2cn(CCOc3ccccc3F)c3ccccc23)C(=O)N1CC 2297560147 RMTUHCAVCPTPNJ-UHFFFAOYSA-N 437.540 5.172 30 10 IKEE N#Cc1nc(C=Cc2ccccc2)oc1NC[C@H](c1ccc(Cl)cc1)N1CCCCC1 2297576216 FIAPKYDADLZZIE-HSZRJFAPSA-N 432.955 6.009 30 10 IKEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)CCC(F)(F)C[C@@H]1OCc1ccccc1 2305403277 MSHAXPBXORNIGJ-DHLKQENFSA-N 429.507 5.293 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1c(Cl)cccc1Cl)C2=O)c1ccccc1Cl 2314438022 FFFVITKACHGKQS-UHFFFAOYSA-N 445.685 6.482 30 10 IKEE Cc1cc2c(cc1C)C(=O)C(=Cc1cn(-c3ccccc3)nc1-c1ccc(Cl)cc1)O2 2314519332 JJPUKALPNBWFME-UHFFFAOYSA-N 426.903 6.426 30 10 IKEE CCN1C(=O)C(=Cc2ccc(-c3c(Cl)cccc3Cl)o2)SC1=Nc1ccccn1 2314541462 MDKHQMKGJLGPQO-UHFFFAOYSA-N 444.343 6.272 30 10 IKEE C=CCc1ccc(OCCn2c(C=Cc3ccc(OC)cc3)nc3ccccc32)c(OC)c1 2314899046 MJSHNZNJNIYSAM-UHFFFAOYSA-N 440.543 6.031 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 2321305932 VFRAOZGEUCSEDY-PMACEKPBSA-N 441.572 5.418 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1cccc(F)c1)O3)CN(CCc1ccc(F)cc1)CO2 2321937044 LAYIQVQBBBPQJW-UHFFFAOYSA-N 433.454 5.284 30 10 IKEE COc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(C2CCCCCC2)C4)c(OC)c1 2322079602 DXZFWWTUEZAWHP-UHFFFAOYSA-N 449.547 5.503 30 10 IKEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1cccc(Cl)c1)NC1CCCCC1 2322527739 CQKFEFOIOLQVON-UHFFFAOYSA-N 432.347 5.717 30 10 IKEE Cc1cccc(NC(=O)COc2ccccc2C=CC(=O)c2ccc(Cl)c(Cl)c2)c1 2322580809 IKWYEYZOCADFNK-UHFFFAOYSA-N 440.326 6.215 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccccc2OCC(=O)Nc2cc(C)cc(C)c2)c1 2322659512 JTXWHKWCUIKOPJ-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE Cc1cc(OC(=O)c2ccncc2)cc2c1C(=O)C(=Cc1c(Cl)cccc1Cl)O2 2322828446 AHLXZLUPZZBWQU-UHFFFAOYSA-N 426.255 5.532 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1c(OCc2cccc(C)c2)ccc2ccccc12 2323022444 ONMNAWLXOPOXSA-UHFFFAOYSA-N 442.942 7.285 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)CCCOc4ccccc4)cc(C)c3C2=O)c1 2323178364 SUUBCCMUNQWCAH-UHFFFAOYSA-N 428.484 5.684 30 10 IKEE O=C(C=Cc1cccc(OCc2ccccc2)c1)C(=O)N1CCC(Cc2ccccc2)CC1 2323230515 FIIAPJPILWHCFN-UHFFFAOYSA-N 439.555 5.329 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1OCc1ccc([N+](=O)[O-])cc1 2323247772 LWGTWSZPVQVFDB-UHFFFAOYSA-N 447.487 5.704 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OCC(=O)Nc3cc(C)ccc3C)c2)cc1C 2323323717 YMCGHHREYWRJCD-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc(Cl)c1OCCCO 2323353003 UECRQHJUROZCGU-UHFFFAOYSA-N 436.935 6.063 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(=O)c4cc(Cl)ccc4Cl)ccc3C2=O)c1 2323581312 STPOUQXEWCHTOE-UHFFFAOYSA-N 441.266 5.837 30 10 IKEE Cc1c(OC(=O)c2ccc(OCC(C)C)cc2)ccc2c1OC(=Cc1ccccc1)C2=O 2323635316 JUVPZIUUXZZXIF-UHFFFAOYSA-N 428.484 5.865 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(OC)cc2)C3=O)CC1 2323648569 ROUXCULGVHYHOM-UHFFFAOYSA-N 434.532 6.213 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C)o2)C3=O)c(OCC)c1 2323783493 VNADDSRUFZVIND-UHFFFAOYSA-N 434.444 5.221 30 10 IKEE Cc1c(OC(=O)c2ccc(OC(C)C)cc2)ccc2c1OC(=Cc1cccc(F)c1)C2=O 2323813582 DDPHKRWSLAQAMX-UHFFFAOYSA-N 432.447 5.757 30 10 IKEE Cc1cc(O)c(CN2CCC(C)CC2)c2c1C(=O)C(=Cc1ccccc1Br)O2 2324152007 SPKIBWKKZOGMBF-UHFFFAOYSA-N 442.353 5.311 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2)cc1C 2324155817 WPESDKLQVRNFLD-UHFFFAOYSA-N 427.544 6.340 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc(Br)c1OC 2324269010 VIKORDRQPGDUQR-UHFFFAOYSA-N 447.369 6.193 30 10 IKEE Cc1c(O[C@@H](C)C(=O)Nc2ccc(F)cc2)ccc2c1OC(=Cc1ccccc1F)C2=O 2324319674 AHLXUHSPRYYHEL-HNNXBMFYSA-N 435.426 5.295 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4C)cc(C)c3C2=O)cc1 2324407116 JRMZDAIMECYKIF-IBGZPJMESA-N 427.500 5.634 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc(OCCCOc3ccc(C)cc3)c2C)C1=O 2324545611 HXFILZQXEKPMHB-UHFFFAOYSA-N 430.500 5.776 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1ccc2c(c1C)OC(=Cc1ccc(C)cc1)C2=O 2325093229 SKCOKHFGAZCCOG-QFIPXVFZSA-N 436.548 6.201 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)OC(=Cc1cccc(F)c1)C2=O 2325142110 JFZRVJCMCNXOGR-GOSISDBHSA-N 445.490 5.773 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)[C@H]3C[C@H]3c3ccccc3Cl)c2)cc1 2325719724 ZMFBJBGQUGGRJR-GOTSBHOMSA-N 432.903 5.954 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2)cc1OC(=O)c1ccc(Br)cc1 2325731593 LRHBLTABTKOLDQ-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1C 2325738646 KEBAWXUJMMXEHF-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OC(=O)c1cc2ccccc2n1C 2325740171 YJFVPICLPHNUJK-UHFFFAOYSA-N 439.511 5.919 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2cccc(C=CC(=O)c3cccc4ccccc34)c2)cc1 2325750055 JPSHQIKZKAUAQG-UHFFFAOYSA-N 434.535 7.253 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)c2)cc1C 2325760412 BAXBYNLFOHASTL-JOCHJYFZSA-N 442.555 6.696 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cccc(OC(=O)CCc2ccccc2)c1 2325763516 RKKYAFFJXOKUPW-UHFFFAOYSA-N 434.919 6.091 30 10 IKEE CC(C)COc1ccccc1C=Nn1cnnc1SCc1ccc(Cl)c(Cl)c1 2326489192 RVLRTUIECAITNV-UHFFFAOYSA-N 435.380 5.794 30 10 IKEE CCn1c(C)c(C=Nn2cnnc2SCc2ccc(Cl)c(Cl)c2)c2ccccc21 2326489330 LZNOUGVTQWIEOJ-UHFFFAOYSA-N 444.391 6.042 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc(C(C)C)cc1 2328056565 GWHFQWULDBXEPO-UHFFFAOYSA-N 439.028 6.391 30 10 IKEE CCCSc1nnc(COCc2ccccc2)n1N=Cc1c(OC)ccc2ccccc12 2329354504 FKMDQOLFRPSSNE-UHFFFAOYSA-N 446.576 5.541 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2ccc(F)cc2F)cc1C 2329421968 GEVVBVILRAIPAO-UHFFFAOYSA-N 448.542 5.938 30 10 IKEE Cc1ccsc1C=Nn1c(CCc2cccs2)nnc1SCc1cccc(F)c1 2329645210 PQRZDNWNFMQLJZ-UHFFFAOYSA-N 442.610 5.808 30 10 IKEE CN(C)c1ccc(C=Nn2c(COc3ccccc3)nnc2SCc2ccccc2)cc1 2329918913 IZKUHNDMJDAHQC-UHFFFAOYSA-N 443.576 5.098 30 10 IKEE Cc1cncc(C(=O)Oc2ccc(C=CC(=O)c3ccc4ccccc4c3)cc2Cl)c1 2330663141 MUBCDXMGHVWDHD-UHFFFAOYSA-N 427.887 6.312 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc3c(c2)OCO3)cc1)c1ccc2c(c1)CCCC2 2330679599 JBAACZBRNVOBOS-UHFFFAOYSA-N 426.468 5.409 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3ccccc3F)c(OC)c2)c1 2330773225 ROBLIFUCSRFVIH-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)CCOC)c(OCC)c2)cc1 2330839729 UGNFRHGSUSEPOI-UHFFFAOYSA-N 444.955 5.919 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@H]3CCCO3)n2N=Cc2cn(C)c3ccccc23)c1 2330965689 REKLOQIODBLGDZ-HSZRJFAPSA-N 445.592 5.413 30 10 IKEE COc1cccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CCCC2)c1 2331092696 ZBFJSTTYGLZBTL-UHFFFAOYSA-N 426.973 5.772 30 10 IKEE C=C(C)CSc1nnc(C(F)(F)F)n1N=Cc1cccc(OCc2ccccc2)c1 2331135840 GHKMUPDXEFVVGI-UHFFFAOYSA-N 432.471 5.426 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2-c2ccco2)cc1 2331183520 YZWMFYURXKGJRC-UHFFFAOYSA-N 432.549 5.810 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(OCC)c(OC(=O)CC(C)C)c([N+](=O)[O-])c2)cc1 2331201945 KGFOBHXTOLMIIL-UHFFFAOYSA-N 441.480 5.240 30 10 IKEE C[C@@H](C(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1)c1ccccc1 2331240071 LWLJIWMBVKGMTB-MRXNPFEDSA-N 425.311 6.599 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 2331282226 SPUMBZWMCZVVCL-UHFFFAOYSA-N 431.444 5.417 30 10 IKEE CCCCc1nnc(SCc2ccccc2C)n1N=Cc1ccc(OCC)c(OC)c1 2331322615 SWJNTUDNGIORCV-UHFFFAOYSA-N 438.597 5.511 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(OC)ccc2OC)cc(OC)c1OC(=O)C1CCC1 2331394013 SOQZJDSZIWIRSE-UHFFFAOYSA-N 436.504 5.043 30 10 IKEE COc1cc(C=CC(=O)N[C@H](C#N)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 2331473804 DOOJGCCXHQXMGF-HSZRJFAPSA-N 446.934 5.630 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCC3)n2N=Cc2ccc(Cl)cc2Cl)c1 2331523723 UEIKEMNVMWCFJM-UHFFFAOYSA-N 445.419 6.644 30 10 IKEE COCc1nnc(SCc2cccc3ccccc23)n1N=Cc1cccc2ccccc12 2331595190 XSGYVAWXUDQZBF-UHFFFAOYSA-N 438.556 5.905 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1 2331704703 WQVLWRMAKNDSHM-UHFFFAOYSA-N 430.500 5.583 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc1OCC 2331752103 UXCCKHJYENQLSU-UHFFFAOYSA-N 430.928 6.047 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)c1cccs1 2331762571 NWHGGUYXZRZQQV-UHFFFAOYSA-N 440.948 6.451 30 10 IKEE COCC(=O)Oc1c(Cl)cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1OC 2331780472 UAMVOANZCJHVCT-UHFFFAOYSA-N 430.928 5.402 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3)c([N+](=O)[O-])c2)cc1Cl 2331823531 RXUGKSIQWMAJIO-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)CCc3ccc(Cl)cc3)cc2)cc1C 2331835503 BWROGXRPZVWIRD-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE C=C(C)[C@H]1CCC(C)=C[C@@H]1C1=C(O)C(NCc2ccccc2)=C(CCCCC)C(=O)C1=O 2333299632 CGGGAXJIRQSRPH-GGAORHGYSA-N 433.592 6.123 30 10 IKEE C[C@H](Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCN(Cc2ccccc2)C1 2339537643 WOEQDXBCBNCCNX-CNRLFXKBSA-N 433.405 5.049 30 10 IKEE CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339537718 XGNAXZPRCDTWEN-XMMPIXPASA-N 445.413 5.078 30 10 IKEE CC1(C)OB(/C=C/c2ccc(N[C@H]3CCCN(Cc4ccccc4)CC3)nc2)OC1(C)C 2339538033 VAPHCGPYXVAMBF-INJZMFEXSA-N 433.405 5.193 30 10 IKEE CCCN(CCCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2339591047 WGKHNRQXPVMWLU-UHFFFAOYSA-N 446.397 5.142 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Br)c(Oc2cc(C#N)sc2[N+](=O)[O-])c1 2344224539 VMOSDCOGADRHDP-UHFFFAOYSA-N 440.275 5.430 30 10 IKEE COc1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(C)cc2)c(Br)cn1 2362198813 MZOBVCBOLVBLNV-QGZVFWFLSA-N 432.318 5.168 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(OCC)cc2)cc1 5927257 QMRZZYAVGDEQQN-QFIPXVFZSA-N 449.528 5.328 30 10 IKEE Cc1cc(C)c(NS(=O)(=O)c2ccc(/N=C/c3ccc4ccccc4c3)cc2)c(C)c1 12583367 GZVTYKSXCINEAZ-WPWMEQJKSA-N 428.557 6.316 30 10 IKEE O=C1N[C@@](c2ccccc2)(C(F)(F)F)S/C(=N/c2ccccc2)N1c1ccccc1 12620360 BKVSGKFSOGKEMG-NBHLSZMOSA-N 427.451 6.052 30 10 IKEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2 14477046 TVVZGBKXERMXOP-PDSXEYIOSA-N 435.376 5.284 30 10 IKEE C[C@H]1CC[C@@]2(/N=C/c3ccccc3O)Oc3ccccc3[C@@H](/N=C/c3ccccc3O)[C@@H]2C1 16608749 OWYKDRRRWCDWCE-DPBTWHEKSA-N 440.543 5.902 30 10 IKEE O=C(/C=C/c1ccccc1OC(=O)c1ccccc1Cl)c1ccc(-c2ccccc2)cc1 34954955 OHUZDVBMHGJXJP-VHEBQXMUSA-N 438.910 7.122 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccccc2C)c1 169936993 DMFGXOVRZQMOCN-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccc(O)cc2)ccc1F 169958137 FBEYJUHUJRQPRE-XMMPIXPASA-N 445.490 5.746 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2cccnc2)cc1 170002419 ZDBGPSHLTWQGGI-XMMPIXPASA-N 437.499 5.469 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccncc1 170022240 PZZXWCUZEQTXRQ-FQEVSTJZSA-N 439.298 5.480 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2Cc2ccco2)cc1 170031239 RNWQDEDVNZQGLA-QHCPKHFHSA-N 431.488 5.074 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2C2CCCC2)cc1 170033713 VQATYHKGFFHGNO-DEOSSOPVSA-N 449.547 5.313 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccc(F)cc2)cc1C 170061462 LSHNSQJIVOENEO-DEOSSOPVSA-N 445.490 5.542 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@H]1c1ccc(F)cc1 170061562 PXCVNYDGUOCWHT-QHCPKHFHSA-N 449.453 5.373 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1)c1cc2ccccc2o1 170063166 PDAAZQFXMGCVCC-JOCHJYFZSA-N 447.849 6.008 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccc(C(C)C)cc2)ccc1F 170067481 BAMNTGIYDYEWET-XMMPIXPASA-N 444.506 5.431 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 170068134 SNMCIWQQNYHASV-QHCPKHFHSA-N 430.479 5.123 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OCC)c3)[C@@H]2c2ccc(C)o2)cc1 170099606 MRSNBIYVEWNUFS-HSZRJFAPSA-N 447.487 5.168 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2sccc2C)cc1 170105022 LEZPLRCYDZYGRR-OAQYLSRUSA-N 433.529 5.410 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2sccc2C)cc1C 170106348 UXQHSFKLXLRAAF-JOCHJYFZSA-N 447.556 5.773 30 10 IKEE N#Cc1ccc(N2C(=O)C(Nc3cccc4ccccc34)=C(c3ccc(Cl)cc3)C2=O)cc1 170169362 QGIALTNMTRVJLR-UHFFFAOYSA-N 449.897 5.761 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccnc1 170189766 XOHLXKREOZFMRB-XMMPIXPASA-N 436.467 5.026 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@H]1c1cccnc1 170190310 OSLIPLAOQQNTFN-QHCPKHFHSA-N 442.515 5.107 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccncc2)ccc1OC(C)C 170198314 YGFGPBRQRLDKEP-JOCHJYFZSA-N 448.544 5.017 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccncc2)cc1 170201240 OSYFHGUITZXONC-XMMPIXPASA-N 442.515 5.214 30 10 IKEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3)ccc2O1 170237160 OWZMLQYNNPRBPH-FPTDNZKUSA-N 437.923 5.184 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(F)cc1)c1cccc2ccccc12 170237366 XZHQPFMDNYZIHG-QHCPKHFHSA-N 443.499 5.819 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccc(F)cc1 170238307 BODDAFUSQBMXPV-QFIPXVFZSA-N 435.426 5.065 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2cccc(O)c2)c1 170257727 DIDDYFHFJBLMLR-HSZRJFAPSA-N 447.462 5.101 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@@H]1c1ccccc1C 170277284 PPIAOPMUTMIXOL-QFIPXVFZSA-N 441.955 5.816 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccco2)cc1C 170281163 CWSJIDPLWNQOOQ-XMMPIXPASA-N 445.515 5.811 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccco2)c1 170290892 VMUHPHIZBPCYOT-IBGZPJMESA-N 445.805 5.003 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccc(C)o2)c1 170302351 QDDPPCOOUFJDHE-QHCPKHFHSA-N 447.487 5.005 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@H]1c1c(C)[nH]c2ccccc12 170312066 AJFPBXXRDYZABX-XMMPIXPASA-N 446.547 5.480 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(C(C)(C)C)cc2)c1 170329807 AYSOEDIPVNSIND-HSZRJFAPSA-N 442.515 5.171 30 10 IKEE CC(=O)Oc1ccc(-c2ccc(C=Nc3ccc4c(c3)nc(C)n4-c3ccccc3)cc2)cc1 252616664 KDBLRYRHQDNAKV-UHFFFAOYSA-N 445.522 6.677 30 10 IKEE CCN1C(=O)/C(=C2\Sc3ccccc3N2C)SC1=Nc1ccccc1-c1ccccc1 254506308 UZRPAGIHXDKHQS-CJKMRZRNSA-N 443.597 6.348 30 10 IKEE Cc1ccc(N(C(=O)c2ccc([N+](=O)[O-])cc2)C(=Nc2ccccc2)c2ccccc2)cc1 254597631 LDYUNXLGMNCTAS-UHFFFAOYSA-N 435.483 6.329 30 10 IKEE CCc1ccc(N=C2C(=O)N(CN3CCC(Cc4ccccc4)CC3)c3ccccc32)cc1 254877922 NVVNULYIJWROEX-UHFFFAOYSA-N 437.587 5.629 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(OC)cc2)cc1 526517988 XPEPUTWUWXPKJL-DEOSSOPVSA-N 426.472 5.023 30 10 IKEE CC(C)COc1ccc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526605968 HMPKJFNTGMODHS-QHCPKHFHSA-N 430.529 5.712 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1ccc(O)c([N+](=O)[O-])c1 526818803 ASTFZLHLWFSGEF-QRVIBDJDSA-N 439.541 5.026 30 10 IKEE N#Cc1ccc(C(=O)N(C[C@H]2CCCO2)c2nc3c(C(F)(F)F)cccc3s2)cc1 585177143 ZHEIGWYGNDCAAA-OAHLLOKOSA-N 431.439 5.013 30 10 IKEE CC(C)Oc1ccc(S(=O)(=O)N(CCCC#N)C(c2ccccc2)c2ccccc2)cc1 586151700 VPSUEFRSWIWJRM-UHFFFAOYSA-N 448.588 5.558 30 10 IKEE C=CCN(CC=C)C(=O)Nc1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1 586663917 OZGPQNULVUOART-UHFFFAOYSA-N 426.520 5.888 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@](C)(C#N)C(c1ccccc1)c1ccccc1 698408419 RNJZIDDESXNEIO-NDEPHWFRSA-N 426.560 6.538 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@H](C#N)c1cc(Br)ccc1Cl 698423679 IOLZKCJEOJWJEH-GOSISDBHSA-N 435.749 6.104 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@H](C#N)c1cc(Br)ccc1Cl 698819601 NHWROSLKVLZJCU-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE COc1ccc([C@@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)c(Br)c1 698825205 NSAUBGMCJOGBIJ-QGZVFWFLSA-N 437.359 5.521 30 10 IKEE Cc1c(/C=C2\S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=O)c2ccccc2n1C 1084148807 IJHRKCPPOUTLAB-HXNPFYCNSA-N 435.637 6.424 30 10 IKEE Cc1cccc(/C=C2\SC(=Nc3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)c1 1088691896 FYBHJQSTZOTPNA-RNJGGXIZSA-N 439.367 7.110 30 10 IKEE CCOC(=O)c1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1-c1ccc(F)cc1 1614705591 CWFRSHKLISMMFB-UHFFFAOYSA-N 446.322 5.893 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3ccccc3)o2)SC1=Nc1cccc2ccccc12 1772724973 GMDLQAYZBLCWAR-OFGWUVNBSA-N 436.536 6.890 30 10 IKEE O=C1/C(=C/c2c(Cl)cccc2Cl)SC(=Nc2ccccn2)N1C1CCCCC1 1772731565 PKBGSWUNRNATQX-LCQIMXFNSA-N 432.376 6.325 30 10 IKEE C=CCOc1ccccc1/C=C1/SC(=Nc2nc(-c3ccccc3)cs2)N(CC)C1=O 1772740415 XRAZNEOERMRGDB-LLLXPECQSA-N 447.585 5.999 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc3c(OC(=O)Nc4cccc(F)c4)cccc23)c1 1858779948 HMPHBJFYYPPQRM-UHFFFAOYSA-N 425.419 5.714 30 10 IKEE CCCOc1ccc(-c2nc3ccc(C(=O)Nc4ccc(C#N)cc4)cc3[nH]2)cc1OC 1859441061 ZZKDYBZKTHBPKX-UHFFFAOYSA-N 426.476 5.151 30 10 IKEE CC(C)c1ccnc(Nc2cccc(-c3csc(-c4ccccc4Cl)n3)c2)c1C#N 1859862838 SRLJWBIPVURWOV-UHFFFAOYSA-N 430.964 7.264 30 10 IKEE CCCOc1ccc(/C=C/C(=O)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1OCC 1860729032 SPHCNGPAUOVQDG-VQHVLOKHSA-N 431.916 5.066 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 1861015545 CYNDRZSDKYBBFL-QHCPKHFHSA-N 429.004 6.068 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CCC)cc1 1862385939 BOPUUBVYLLLVFL-HXUWFJFHSA-N 448.346 5.771 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2ccc(C(=O)O)cc2)cc1 1862393229 QIOKKDCAENVRFZ-ZHRRBRCNSA-N 435.520 5.104 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(C(=O)O)cc2)cc1 1862394167 CMYWBPZXLOTBFB-QHCPKHFHSA-N 447.531 5.248 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862413672 ILDGBYBJDJUMQT-NPMXOYFQSA-N 449.453 5.313 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1c(F)cccc1Cl)c1ccc(F)cc1F 1862420481 LYWWFFDYLTYHPQ-LJQANCHMSA-N 435.829 5.278 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(N(CC)CC)cc1 1862421752 OYAHHNDNUGMUSC-IVZQSRNASA-N 442.506 5.188 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CCCCCC2)cc1 1862431296 DLPNMZKRRUTHKD-JOCHJYFZSA-N 439.939 5.650 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862451353 CRDPJFHLHDYUCY-ZHRRBRCNSA-N 441.955 5.896 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862473858 HMHXBUFODVSKNG-DEOSSOPVSA-N 429.491 5.475 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(F)cc2F)cc1 1862477782 RNSZOIMMPSUQHP-FQEVSTJZSA-N 425.456 5.113 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862477912 VLZJHAZOSLIMMK-DEOSSOPVSA-N 428.532 5.777 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cccc(C)c1 1862489415 BGBMRXYFXJAIIG-XMMPIXPASA-N 435.564 5.397 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862619432 VGMLCZPTOJVDTB-NRFANRHFSA-N 436.508 5.127 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(O)c(OC)c1 1862620444 RWFNRKNMRCZILP-JOCHJYFZSA-N 437.536 5.077 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1c(F)cccc1Cl 1862666591 HTIQZZCODAZGMC-OAQYLSRUSA-N 429.919 5.837 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(C(=O)OC)cc1 1862667262 WZLVBKJLABKGIZ-HSZRJFAPSA-N 449.547 5.365 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2ccc(Cl)cc2Cl)cc1 1862667817 KUWRQPSTDSBYTR-RNODOKPDSA-N 448.346 5.076 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1)c1ccc(F)cc1 1862674121 SRIRJADVVNBSBL-NRFANRHFSA-N 439.845 5.397 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@H]2c2ccccc2C)cc1 1862688473 YEUPMGDHTSEIBL-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE CCCCCCCCNC1=C(c2ccc(OC(C)C)cc2)C(=O)N(Cc2ccccc2)C1=O 1863690873 MFCFZSFYVWKFKO-UHFFFAOYSA-N 448.607 5.704 30 10 IKEE Cc1nc(C2CCN(c3cc(Nc4ccc(C#N)cc4)nc(C(C)(C)C)n3)CC2)sc1C 1868355916 RODBLJZHPCGVOE-UHFFFAOYSA-N 446.624 5.847 30 10 IKEE N#Cc1nnn(-c2cccc(OCc3ccccc3)c2)c1NC(=O)c1cccc2ccccc12 1870152784 KVNVMQITNSSZIX-UHFFFAOYSA-N 445.482 5.123 30 10 IKEE CCCCCCCOc1cn(CCc2ccccc2)c(CN(CC)CCCC)cc1=O 1870408957 FAKUXPZRSBYICH-UHFFFAOYSA-N 426.645 6.062 30 10 IKEE CCCCCCCCn1cc(OCC(C)C)c(=O)cc1CN(CC)CCc1ccncc1 1870435945 CKPZQRLFEJMNAT-UHFFFAOYSA-N 441.660 5.703 30 10 IKEE C=CCOc1cn(Cc2ccc(F)cc2)c(CNc2ccc(Cl)c(Cl)c2)cc1=O 1870808747 AREFSRMQMCQBDB-UHFFFAOYSA-N 433.310 5.519 30 10 IKEE C=CCOc1cn(CCCCCCCCCC)c(CNc2ccc3[nH]ncc3c2)cc1=O 1870812703 GZWZJBCZGJZIGE-UHFFFAOYSA-N 436.600 6.042 30 10 IKEE CCCCCCCOc1cn(CCCn2ccnc2)c(CNc2cccc(F)c2)cc1=O 1870839218 AVKMSCDQEMVRHH-UHFFFAOYSA-N 440.563 5.236 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc(F)cc4)ccc3C2=O)c(OC)c1 1871365971 LIGBCXPSXJPEIE-DFXNZHSVSA-N 446.430 5.078 30 10 IKEE Cc1c(OC(=O)C(Cl)(Cl)Cl)ccc2c1O/C(=C\c1ccc(Cl)cc1)C2=O 1871366133 UCOJMKHNWPCLKT-ZSOIEALJSA-N 432.086 5.540 30 10 IKEE CC(C)=C1Oc2c(ccc(OC(=O)c3ccccc3C(=O)c3ccc(Cl)cc3)c2C)C1=O 1871373305 YHWCRXTZNWCYHK-UHFFFAOYSA-N 446.886 5.968 30 10 IKEE Cc1cc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)ccc1[N+](=O)[O-] 1871373329 ACIHZNHITMIOHX-NHDPSOOVSA-N 435.819 5.392 30 10 IKEE Cc1cc(OC(=O)/C=C/c2cccs2)cc2c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O2 1871380896 IOIYMXQSQDNCAX-YFHATWHHSA-N 444.552 6.589 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(=O)c(-c4ccccc4OC)coc3c2)cc1 1871389829 QDDGVTUDJBFGEL-UHFFFAOYSA-N 428.440 5.253 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(O)c3CN(CC)CCc3ccncc3)C2=O)cc1 1871394329 RABVSEKUWFGCPQ-UQQQWYQISA-N 428.532 5.030 30 10 IKEE CCc1cccc(CC)c1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O 1871408724 SJHJBNJYOFDSLK-ZGWJWYQGSA-N 431.488 5.427 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C)cc4C)cc(C)c3C2=O)cc1 1871418614 CCQHYNMRXSFYHR-CFRMEGHHSA-N 427.500 5.554 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc(OCC(=O)Nc3ccc(C(C)C)cc3)c2C)C1=O 1871435367 HMSKZJUARYCQNM-XKZIYDEJSA-N 447.556 6.122 30 10 IKEE CCc1cccc(CC)c1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 1871455440 MSGBXDAYIONHRE-OYKKKHCWSA-N 445.490 5.584 30 10 IKEE C=CCN(CC=C)c1nc(=NCCCCCCCC)nc(Nc2ccc(Cl)c(C)c2)[nH]1 1871663788 NRGZGEJAYJBHGG-UHFFFAOYSA-N 443.039 5.950 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(Cl)c(Cl)c3)n2)cc1C 1872765204 JXEMKLVSHYXWTD-OAHLLOKOSA-N 431.344 5.853 30 10 IKEE N#C[C@@H](C(=O)COc1cc(Cl)ccc1Cl)c1nc(-c2ccc(F)cc2F)cs1 1872767581 VYAYECCZBUVNLY-ZDUSSCGKSA-N 439.270 5.650 30 10 IKEE COc1ccccc1C(=O)[C@@H](C#N)c1nc(-c2cc(Cl)c(OC)c(Cl)c2)cs1 1872785392 LUHQBFVFTJBELL-CYBMUJFWSA-N 433.316 5.624 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(Cl)c(C)c3)n2)cc1Cl 1872785594 QRRUHSVWNCEILV-HNNXBMFYSA-N 447.343 5.689 30 10 IKEE C=CCN1C(=O)C(Nc2cccc(Cl)c2C)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873276998 ZCVZOBSXBQUEDF-UHFFFAOYSA-N 428.919 5.693 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)c(C)c2)cc2c(NCCCCCC)ncnc21 1873638989 QBLCNHIMLHJXAK-UHFFFAOYSA-N 425.964 5.824 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)c(C)c2)cc2c(N(CCC)CCC)ncnc21 1873665850 LQISTLQKTJFTPA-UHFFFAOYSA-N 425.964 5.458 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc(O)c(OCC)c1 1874342316 KHRANYCQNATMKB-ZMOGYAJESA-N 442.972 5.177 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2sccc2C)cc1C 1874358779 ZDGAZABOUUGJRG-YZSQISJMSA-N 446.645 6.073 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2ccccc2)n1/N=C/c1ccc(Cl)cc1 1874375733 KSDGYAIQZWBTLT-CVKSISIWSA-N 436.943 5.836 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccccn1 1874375735 KXCUIADIRIQAEJ-VULFUBBASA-N 437.931 5.231 30 10 IKEE Fc1cccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccc(F)cc2F)c1 1874406952 XZSINVXFFZEBBN-MZJWZYIUSA-N 444.526 5.993 30 10 IKEE Cn1cccc1/C=N/n1c(SCc2c(F)cccc2Cl)nnc1-c1cccs1 1874425582 PVQUTKOLMWXFGG-SSDVNMTOSA-N 431.949 5.312 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCC)cc1OCC 1874439131 LNTGMFFDFNVCBN-JJIBRWJFSA-N 432.634 5.829 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1cccc(OC)c1O 1874479904 XSKREOPQYINZLM-YDZHTSKRSA-N 430.961 5.163 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(OC)cc1 1874480596 FANPVFNMGIXMOF-ZMOGYAJESA-N 432.952 5.596 30 10 IKEE CCCCCOc1ccc(/C=N/n2cnnc2SCc2cccc(F)c2)cc1OCC 1874538106 NQEOGIOZWCTPSH-CVKSISIWSA-N 442.560 5.559 30 10 IKEE CCOc1cc(/C=N/n2c(S)nnc2C2CCCC2)ccc1OCc1ccc(F)cc1 1874559897 VWUYTOMKQMSILM-AFUMVMLFSA-N 440.544 5.223 30 10 IKEE CC(C)(C)Cc1nnc(S)n1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1874560270 PBWDWSXUNOPCSD-WGOQTCKBSA-N 430.577 5.770 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2c(F)cccc2Cl)cc1 1874575815 IDLHPEKNDBEFDU-YRNVUSSQSA-N 431.290 6.616 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccccc2)c1OCC(=O)Nc1ccc(F)cc1 1874578491 QISSFCVPQCJOOC-KPKJPENVSA-N 439.870 5.401 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(C)cc1 1874579246 DJFAQQPIGHZBTA-FOCLMDBBSA-N 429.560 6.072 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccccc1OCc1ccc(Cl)cc1Cl 1874585989 QFKKYSPDERTQTI-PKNBQFBNSA-N 441.354 7.094 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc(OC)c1OCC(=O)OC 1874616042 HPKJOYSAPSNKCW-RMKNXTFCSA-N 435.303 5.178 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OCC(=O)Nc1ccc(F)cc1 1874635224 JRPKQRWLKSETMK-VZUCSPMQSA-N 447.506 5.673 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3cc(Cl)ccc3OC)cc2)cc1 1874638781 RPTVYCZCNVGXEN-RIYZIHGNSA-N 449.934 5.825 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)[C@H]2C[C@H]2c2ccccc2Cl)c1)c1ccc(Cl)cc1 1874700882 QXAXFCNPSLAFLQ-BKPMOURTSA-N 437.322 6.599 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)c2cnc(C)cn2)c1 1874712417 WQLWIESGNUCKRZ-VOTSOKGWSA-N 443.286 5.216 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(F)cc2)c1)c1ccc(Oc2ccccc2)cc1 1874712688 LOLWNLUVDTTZJZ-GIJQJNRQSA-N 438.454 6.733 30 10 IKEE C=CCN(CC=C)CCC(=O)c1ccc(OC(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)cc1 1874744469 DSDXLPDZMJCMRA-OAQYLSRUSA-N 435.564 5.430 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(OC)c(OC(=O)CC3CCCCC3)c(OC)c2)c1 1875102480 JRXVRWZRLARLNF-OUKQBFOZSA-N 438.520 5.484 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(OC)cc2)cc1OC 1875112624 MKZUWOBFDLWARQ-NTEUORMPSA-N 430.928 6.129 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(F)c3)c(Br)c2)cc1 1875133188 IWZFNTDSTKETJO-YRNVUSSQSA-N 439.280 6.012 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)Cc1ccccc1OC 1875136505 BUGFWCURSWJZGE-RVDMUPIBSA-N 430.500 5.447 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)CCCOc2ccc(C)cc2)cc1 1875143815 SBTAGLAETIOYSS-LFIBNONCSA-N 444.527 5.973 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)Cc1ccccc1[N+](=O)[O-] 1875158799 NOHLHYZFMXOBAF-NTUHNPAUSA-N 449.434 5.177 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cc(Cl)c(OC(=O)C3CC3)c(OC)c2)cc1C(C)C 1875163723 ZCWROYIGGYMNCU-RMKNXTFCSA-N 442.939 6.001 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(F)c(F)c2F)cc1 1875169734 QBXIHWFJTDQERX-IZZDOVSWSA-N 440.417 5.845 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3c(C)cc(C)cc3C)cc2)cc1OC 1875182726 ROHNAYVKXUAAGY-XYOKQWHBSA-N 430.500 5.744 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2ccc(OC(=O)CC(C)C)c(Cl)c2)cc1Cl 1875185727 LRLRJNYHSAEYQX-GQCTYLIASA-N 441.738 6.503 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)c1ccccc1 1875190344 GDFYRUAPVQBRBM-XYOKQWHBSA-N 441.310 6.507 30 10 IKEE Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N2CCC(C#N)(c3ccccc3)CC2)cc1 1892387329 GSVJCEKMCRZWBW-UHFFFAOYSA-N 448.570 5.245 30 10 IKEE CC1(C)C[C@@H]([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2)N(C(=O)OC(C)(C)C)C1 1945908248 OWITXFAKPCAJDN-RBUKOAKNSA-N 429.561 5.356 30 10 IKEE C#Cc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)(C)C(=O)O)cc1 1951785454 XXZAYXSFZMHIFJ-VWLOTQADSA-N 439.511 5.359 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(CC2CC2)C(=O)OC(C)(C)C)CC12CCCC2 2018643301 QTLGCTKVZKKCCW-DEOSSOPVSA-N 433.593 5.240 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2cccc(NC(=O)OC(C)(C)C)c2)c1 2031660031 JNQKTHDWWKZLMM-NRFANRHFSA-N 437.540 6.348 30 10 IKEE N#CCCn1cc(C=CC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c2ccccc21 2040440068 VLEYJOXJXIIDKX-HXUWFJFHSA-N 440.572 5.584 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(C)sc(C)c1Br 2041204586 UFMDJPOOMNQEKJ-YOEHRIQHSA-N 429.424 5.085 30 10 IKEE CC1(C)OB(C=C2CCN(C(=O)c3cscc3OCc3ccccc3)CC2)OC1(C)C 2045309213 YZVQYTRTBHLYPU-UHFFFAOYSA-N 439.386 5.121 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](O)c2ccc(Cl)c(Br)c2F)C1 2063050566 WEABKXIWQOJTBQ-OAHLLOKOSA-N 434.733 5.136 30 10 IKEE C=CC[C@H](NCCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071348500 XDRVWDVOSWCGPJ-LBNVMWSVSA-N 431.576 5.822 30 10 IKEE CC1([C@H](c2ccc(C(F)(F)F)cc2F)n2nc(C3CCC3)c(C=NO)c2Cl)CC1 2079927875 XTTCKTAHLYYYOL-KRWDZBQOSA-N 429.845 6.160 30 10 IKEE CC[C@@H](c1ccc(OC(C)C)cc1)n1nc(C(C)C)c(C#N)c1I 2080114646 WXGMNJWNFYWPRX-KRWDZBQOSA-N 437.325 5.269 30 10 IKEE N#Cc1c(C2CCCCC2)nn(Cc2cc(F)cc(C(F)(F)F)c2)c1Br 2080303619 ISTPPYBXAHODHF-UHFFFAOYSA-N 430.243 5.771 30 10 IKEE Cc1nn(C(F)(F)F)c(I)c1-c1c(F)cccc1C(F)(F)F 2080775430 HXPHYDKFLCQPKI-UHFFFAOYSA-N 438.084 5.097 30 10 IKEE Fc1cc(-c2c(C(F)(F)F)nn(C3CCCC3)c2Br)cc(C(F)(F)F)c1 2080845451 JODWZOYGZMGFGW-UHFFFAOYSA-N 445.176 6.604 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)cc1Br)NCCC 2088508949 CMISZKYXBQCGBO-ZWKOTPCHSA-N 445.829 5.483 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1nc(C2CC2)cs1 2093265578 YTVIAEKCGKANPZ-MRXNPFEDSA-N 434.359 5.789 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2cc(Br)c(C#N)cc2F)CC1(C)C 2106004738 RIJHZKZQQWZKTA-CYBMUJFWSA-N 426.330 5.050 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)cc(Br)c1)NCCC 2110500022 FYSOARNSXDBZSE-ROUUACIJSA-N 445.829 5.483 30 10 IKEE C[C@H](C1CC1)N(Cc1ccccc1)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1C(F)(F)F 2116145958 SEAYWVMOUJRFJK-MRXNPFEDSA-N 446.322 5.205 30 10 IKEE C[C@@H](NC(=O)OC(C)(C)C)c1cccc(Nc2cc(Br)c(C#N)cc2F)c1 2162306073 KBKMFUYKJCPMBG-GFCCVEGCSA-N 434.309 5.789 30 10 IKEE CC(C)(C)OC(=O)NCC[C@H]1CCC[C@H](Nc2ccc(C#N)c(Br)c2F)C1 2162307872 CYSFBIMRPAOCFU-HIFRSBDPSA-N 440.357 5.345 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H](CNc2cccc(Br)c2C#N)C1 2162332157 AJAZBRWFHAPCHS-HNNXBMFYSA-N 434.378 5.160 30 10 IKEE COc1cc(Br)ccc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1C 2165550890 GGJPANGQCWBIGJ-GOSISDBHSA-N 431.330 5.773 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@@H](Nc3ccc(Br)cc3C#N)C[C@@H]21 2166983206 OFDBVVPXJQUDNA-BJZITVGISA-N 434.378 5.301 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CC[C@]2(CCCOC2)C1 2185136375 XSAIFOFYYFQQIB-RTWAWAEBSA-N 435.362 5.434 30 10 IKEE CCCCCCCCN(C)[C@@H](CN)c1scc(Br)c1Br 2196742353 WTILOTDQMWPIKS-ZDUSSCGKSA-N 426.262 5.565 30 10 IKEE CCCCCCC[C@H](CO)N(C(=O)OCc1ccccc1)c1ccc(Br)cc1 2219992862 YHCCBFHJROSGMR-JOCHJYFZSA-N 448.401 6.314 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCC3(CC3)N(C(=O)OC(C)(C)C)C2)cc1 2220211989 ACNIUZSSWBHNBW-RUZDIDTESA-N 441.572 5.562 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2ccc(C#N)c(Br)c2F)CCC12CCC2 2233909575 ZSFWVSGTARNAAM-AWEZNQCLSA-N 438.341 5.194 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)CCN(CCC)C(=O)OC(C)(C)C 2235727660 YYXVLNKFCFLSNT-LJQANCHMSA-N 437.422 5.206 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2cc(C)ccc2Br)cc1 2236338427 GXMYFHCIIUHLFL-LJQANCHMSA-N 431.330 5.773 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1c(F)ccc(F)c1F 2239740078 XKUONCSZJGHECK-OAHLLOKOSA-N 441.247 5.873 30 10 IKEE Cc1sc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2241478194 ZXGWHAKYQQFDFE-UHFFFAOYSA-N 447.409 5.198 30 10 IKEE Cc1cc(NC(=O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)cc(C)c1C#N 2243936711 IYPJDKUKLVJVKF-UHFFFAOYSA-N 439.515 5.042 30 10 IKEE CC1(C)OB(c2ccc(C(=O)N(Cc3ccccc3)C3CCCC3)cc2Cl)OC1(C)C 2255542166 NXLJFTYKYHQXFA-UHFFFAOYSA-N 439.792 5.224 30 10 IKEE CC1(C)OB(c2ccc(C(=O)N(Cc3ccccc3)CC3CCC3)c(Cl)c2)OC1(C)C 2255952986 BKXHCXULSUVHSH-UHFFFAOYSA-N 439.792 5.082 30 10 IKEE CCn1cc(C=C2Oc3cc(OCc4cccc(Cl)c4)ccc3C2=O)c2ccccc21 2296872137 VYMNHCMOLIBZQP-UHFFFAOYSA-N 429.903 6.510 30 10 IKEE COc1cc(C=C2N=C(SCc3ccccc3)SC2=O)ccc1OCc1ccccc1 2297366928 IDHVZPHIXKUNDK-UHFFFAOYSA-N 447.581 6.178 30 10 IKEE C=CCN1C(=O)C(=Cc2ccccc2OCc2ccc(C)cc2)SC1=Nc1nccs1 2314542553 LWXLFSFIVXAOIY-UHFFFAOYSA-N 447.585 5.821 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc2c(c1)OCCO2 2321048228 CVCVNWKRGQMOLF-UHFFFAOYSA-N 449.363 5.093 30 10 IKEE Cc1ccc(CN2COc3cc(C)c4c(c3C2)OC(=Cc2ccccc2Cl)C4=O)cc1 2321958711 NSDRJVPSWNKOBP-UHFFFAOYSA-N 431.919 5.925 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccc(C)c(C)c2)cc1OC 2322346805 LKEICDCDBLMPRZ-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(Cl)cc2)c1OCC(=O)NC1CCCCC1 2322542274 OLMWJJNZGFCEQY-UHFFFAOYSA-N 427.928 5.072 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Br)ccc2OCCc2ccccc2)c(C)c1 2322569006 UORDLUSQIVTQPT-UHFFFAOYSA-N 435.361 6.584 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C)cc2)c1OCc1ccc(Cl)c(Cl)c1 2322601339 GGXNXAIWBIAPQB-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE CCOc1cc(C=NNc2ccc(OC)c(Cl)c2)ccc1OCc1cccc(Cl)c1 2322926392 TYINGZNCGBJGON-UHFFFAOYSA-N 445.346 6.426 30 10 IKEE Cc1cccc(NC(=O)COc2cccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)c2)c1C 2323047407 BGSJHTVZJDUJJY-UHFFFAOYSA-N 430.460 5.125 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc3C2=O)cc1 2323057449 UXTXOENQEJAMJK-UHFFFAOYSA-N 426.468 5.629 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2Cl)cc1OCC(=O)NC1CCCCC1 2323087220 VAHZOAITUWDQBU-UHFFFAOYSA-N 427.928 5.072 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2Cl)cc1OCC(=O)Nc1cccc(C)c1 2323087648 OOXARFQVCVZGPG-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OC(=O)c3ccc(F)c(F)c3F)ccc2C1=O 2323126528 HRHZZVAEQPJQNL-UHFFFAOYSA-N 440.373 5.338 30 10 IKEE Cc1ccc(COc2ccccc2C=NNc2cnn(-c3ccccc3)c(=O)c2Cl)cc1 2323229909 KTLALGVDNCGNIA-UHFFFAOYSA-N 444.922 5.219 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OC(=O)Cc3ccc(F)cc3)cc(C)c2C1=O 2323229962 SLMONOGXIWYFKU-UHFFFAOYSA-N 432.447 5.297 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cccc(OCC(=O)Nc2ccc(C)c(C)c2)c1 2323260384 AKLXDWUYTSYHLL-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)C=Cc1ccc(C(C)C)cc1 2323261663 DPTSMBJEYBHQEQ-RUZDIDTESA-N 426.645 6.071 30 10 IKEE Cc1c(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2Cl)C3=O)cccc1[N+](=O)[O-] 2323261796 OXOQVPMIUMXBTR-UHFFFAOYSA-N 449.846 5.700 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1 2323536437 WBGKAVOTPXXFSL-UHFFFAOYSA-N 439.382 7.811 30 10 IKEE CCCCCCCCCOc1ccc(C=Nn2c(S)nnc2-c2ccco2)cc1OC 2323536949 ISFKKFPFVIIWIN-UHFFFAOYSA-N 442.585 5.847 30 10 IKEE CCOc1c(Cl)cc(C=NNc2nc(-c3ccc(Cl)cc3)cs2)cc1Cl 2323872882 NJYWWEBICBDUFS-UHFFFAOYSA-N 426.756 6.615 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCc3cc(C)ccc3C)c([N+](=O)[O-])c2)cc1 2323933568 JPFJPBTZCLTZSP-UHFFFAOYSA-N 445.515 6.476 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(Br)c1OCCO 2324563683 LZDWYZYGBIFQTL-UHFFFAOYSA-N 433.342 5.040 30 10 IKEE CC(C)(C)c1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1 2324672820 RKFUSHADMXDDNG-HXUWFJFHSA-N 425.557 6.479 30 10 IKEE CC(C)(C)c1ccc(OCCOc2ccc3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1 2324685767 OXHNLXDKXHZAEP-UHFFFAOYSA-N 432.491 6.197 30 10 IKEE Cc1c(OCCOc2cccc3ccccc23)ccc2c1OC(=Cc1cccc(F)c1)C2=O 2324694099 PCSHGYZVMAXHIG-UHFFFAOYSA-N 440.470 6.361 30 10 IKEE CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1)OC(=Cc1ccccc1Br)C2=O 2325079269 ROZKYMFUIOJFGZ-GOSISDBHSA-N 445.309 5.176 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OCC(=O)Nc3c(C)cccc3C)cc(C)c2C1=O 2325501044 ITXPRCYFOIVYGA-UHFFFAOYSA-N 433.529 5.615 30 10 IKEE Cc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(Br)cc1 2325631550 VHHIHSMVLJGFGZ-UHFFFAOYSA-N 437.366 5.677 30 10 IKEE O=C(C=Cc1cccc(OC(=O)C(c2ccccc2)c2ccccc2)c1)c1ccc(F)cc1 2325751279 HVUBSWWCHTZGGD-UHFFFAOYSA-N 436.482 6.459 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2cccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)c2)c1 2325756756 GBTGDSXFAVHMJH-UHFFFAOYSA-N 444.527 6.053 30 10 IKEE C=CCOc1ccccc1C=Nn1c(COc2ccccc2Cl)nnc1SCC=C 2327674319 FLZNRUNDZXVOQJ-UHFFFAOYSA-N 440.956 5.236 30 10 IKEE COc1ccc(C=Nn2c(COCc3ccccc3)nnc2SCc2ccccc2)cc1 2329339486 MUBWYCOWWIRUEI-UHFFFAOYSA-N 444.560 5.178 30 10 IKEE Clc1cccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2-c2cccs2)c1 2330603972 YXFQFXOPNDRMAV-UHFFFAOYSA-N 445.400 6.488 30 10 IKEE COc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)C1CCCC1 2330616310 RAIQPFBUPNLJCH-UHFFFAOYSA-N 426.512 6.354 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccccc3)n2N=Cc2cccc(Cl)c2)c1 2330674713 OMHCDGVIYZLUHK-UHFFFAOYSA-N 432.980 6.390 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3c(C)cccc3C)c(Cl)c2)cc1 2330747723 UBRPYAOLJHNQGL-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3Cl)c(OC)c2)c1 2330799799 DXEKCVXXDXCOAS-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE Cc1cccc(CSc2nnc(CC(C)(C)C)n2N=Cc2ccc(C(F)(F)F)cc2)c1 2330821351 ZYYQTSNNTUQBMG-UHFFFAOYSA-N 446.542 6.368 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2Cl)cc(OC)c1OC(=O)c1ccc(C)cc1 2330947142 UQXOCGMJOSFPCE-UHFFFAOYSA-N 446.930 6.501 30 10 IKEE Clc1ccc(CSc2nnc([C@@H]3CCCO3)n2N=Cc2cccnc2)c(Cl)c1 2330999170 JRBFVHVIBAWIIH-KRWDZBQOSA-N 434.352 5.006 30 10 IKEE CC(C)CC(=O)Oc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1Br 2331029958 ITEVUTYFPKXTGP-UHFFFAOYSA-N 432.270 5.205 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2cccs2)cc1 2331037097 CLYJQGQOYTXVMU-UHFFFAOYSA-N 439.610 5.173 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)cc2F)c([N+](=O)[O-])c1)c1cccc(Cl)c1 2331129068 AGROPMLPBOICCC-UHFFFAOYSA-N 443.789 5.642 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C(F)(F)F)c1 2331164171 JIZAMPKXJHOMBR-UHFFFAOYSA-N 444.841 5.278 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCCc3ccccc3)nnc2-c2ccco2)cc1 2331211170 HFCGOKCNZPJKDB-UHFFFAOYSA-N 445.592 5.601 30 10 IKEE Cc1ccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2-c2ccco2)cc1 2331226588 UNQKRAYCYBMKHV-UHFFFAOYSA-N 443.359 6.328 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3OC)cc2)cc1 2331295749 ZUZOJYKRBYOIBH-UHFFFAOYSA-N 444.527 5.918 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)Cc1ccc(C)cc1 2331333985 UTRMXGSWXCGPIT-UHFFFAOYSA-N 448.490 5.504 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc3ccccc23)n1N=Cc1ccccc1C(=O)O 2331402713 IOIXKNWBOSKRBI-UHFFFAOYSA-N 444.560 5.602 30 10 IKEE O=C(Cc1ccccc1Cl)Oc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1Cl 2331557127 ZXIMRUXUJFHUJT-UHFFFAOYSA-N 447.264 6.316 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3)cc2)cc1C(C)C 2331571381 BGBSUKRNCYQBFA-UHFFFAOYSA-N 432.491 6.381 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3F)c([N+](=O)[O-])c2)cc1C 2331707673 MTSIBOXXCUZGNK-UHFFFAOYSA-N 437.398 5.605 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCC(=O)Nc3ccccc3F)nnc2C2CC2)cc1 2331721961 FRNXDCDSCMFLTD-UHFFFAOYSA-N 437.544 5.031 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)C3CCCC3)c(Cl)c2)c(OCC)c1 2331734351 ROLPJTSIBYLVQN-UHFFFAOYSA-N 442.939 6.129 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3)c(OC)c2)cc1Cl 2331835246 YIJAHPHPQQWCNV-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE CC(C)N[C@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)[C@@H]1CC12CCC2 2344981310 SIEUFIIGEIRMFA-XRKRLSELSA-N 444.667 5.071 30 10 IKEE CCCCCCCC[C@H](NCC)c1cc(Br)ccc1OCc1ccccc1 2361177901 ZCTGOXYNFTUAQL-QHCPKHFHSA-N 432.446 7.429 30 10 IKEE CCN[C@@H](C#Cc1cccc(Cl)c1)c1sc(Cl)cc1I 2366652046 DSGDGWDXCXLICW-ZDUSSCGKSA-N 436.145 5.362 30 10 IKEE C=C(C)CCCC[C@@H](OCCCN)c1sc(Cl)cc1I 2366692793 WGWOUKDDIBJXPF-CYBMUJFWSA-N 427.779 5.549 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(Br)cccc2C#N)[C@@H]1C(F)(F)F 2370175721 SLFNJSQPVUIESV-UKRRQHHQSA-N 448.283 5.063 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Br)c(Oc2ccc([N+](=O)[O-])c(C#N)c2)c1 2370354531 GYRLWGSLZGRSQA-UHFFFAOYSA-N 434.246 5.368 30 10 IKEE C=C(C)COc1cccc(NC(=O)c2cc(Br)ccc2OCCC(C)C)c1 9824344 HMJKDTKLBHMHJV-UHFFFAOYSA-N 432.358 6.081 30 10 IKEE C(=N/Nc1n[nH]c(SCCOc2ccccc2)n1)\c1ccccc1OCc1ccccc1 21080753 NPDZJFLHPVRIKQ-KOEQRZSOSA-N 445.548 5.001 30 10 IKEE COc1ccc(/C=C\C(=O)c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)c(OC)c1 33246241 TZRSXQYFWJBVNN-UVTDQMKNSA-N 443.930 6.777 30 10 IKEE CCc1ccc(/N=C2\S/C(=C\c3ccc(OCc4ccccc4)cc3)C(=O)N2C)cc1 38535130 LZGBADTYMHYUER-HXNPFYCNSA-N 428.557 6.062 30 10 IKEE Cc1ccc(-n2c(C)cc3c2CC(C)(C)C/C3=N\OC(=O)c2ccc([N+](=O)[O-])cc2)cc1C 39853139 JCIPXQSSMFIGLJ-SLEBQGDGSA-N 445.519 5.844 30 10 IKEE C=CCc1ccccc1OCCCCn1c(CCCNC(=O)/C=C\C)nc2ccccc21 40210339 POKADGYEISXHBV-PQMHYQBVSA-N 431.580 5.249 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3cc(OCc4ccc([N+](=O)[O-])cc4)cc(C)c3C2=O)c1 41501602 AMKIORQQNMRJBP-FMCGGJTJSA-N 447.443 5.116 30 10 IKEE COc1cccc(COc2cc(C)c3c(c2)O/C(=C\c2cccc(OC)c2OC)C3=O)c1 41504137 BVMIGQJJPDUNSP-QRVIBDJDSA-N 432.472 5.216 30 10 IKEE Cc1ccc(CSc2nc3ccc(/N=C/c4cc(Cl)ccc4O)cc3s2)c(C)c1 59505907 SMWQQYQRVXJNQK-BRJLIKDPSA-N 439.005 7.315 30 10 IKEE Cc1cccc(N/C(=N\C(=O)c2cccc(F)c2)NCCc2c[nH]c3ccccc23)c1C 85581400 JWWZQYODFIKTDU-UHFFFAOYSA-N 428.511 5.364 30 10 IKEE CCCCCCCOc1ccc(NC(=O)CNc2ccc(OCCOCC)cc2)cc1 100085872 BCFPEAYVDXGURY-UHFFFAOYSA-N 428.573 5.502 30 10 IKEE CCCCCCCCCCCCCCCCN(C)c1ccc(/C=C/c2ccncc2)cc1 100309762 JIRBOUICAIYRMY-ISLYRVAYSA-N 434.712 9.170 30 10 IKEE COC(=O)C1=C(C)N(c2ccc(F)cc2)/C(=C/c2cc(C)n(-c3ccccc3)c2C)C1=O 101651365 IJBHQMFLZRYIRY-HZHRSRAPSA-N 430.479 5.110 30 10 IKEE CCCCCCCCCCCC(=O)N[C@H](C)C(=O)Nc1nnc(-c2ccccc2)s1 102999933 AVZXDVYUGXMUGP-GOSISDBHSA-N 430.618 5.569 30 10 IKEE CCCCCCCCCCCCCCCCN1C(=O)c2ccc3c4c(ccc(c24)C1=O)CC3 103679229 GNPBCUGDAUQWNH-UHFFFAOYSA-N 447.663 8.016 30 10 IKEE Cc1cc(C)c(-c2csc(N/N=C\c3cc(Cl)c(OC(C)C)c(Cl)c3)n2)c(C)c1 169940103 YADQWTQMJZUPJI-MRUKODCESA-N 448.419 7.275 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3ccc(OC)cc3)cs2)cc(Cl)c1OCC 169942368 MMGDYKDDSNCEFN-FMCGGJTJSA-N 431.945 5.716 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccc(O)cc2)cc1C 169963113 GJOGSTYTRRIRRJ-XMMPIXPASA-N 443.499 5.109 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@H]1c1ccccc1 170050618 LRMUJHJBZIRESE-QHCPKHFHSA-N 435.882 5.581 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2c[nH]c3ccccc23)cc1 170075131 YUIIUCNMJKVUEX-RUZDIDTESA-N 436.511 5.876 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cn(C)c3ccccc23)c1 170085704 MDDSELZOHZISFJ-XMMPIXPASA-N 428.532 5.316 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 170142553 ILGJCPFFWORHSZ-SANMLTNESA-N 444.490 5.803 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccs2)cc1C(C)C 170166568 JEVPGJSQUIQHNL-NRFANRHFSA-N 425.550 5.401 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccccn2)c1 170172482 QCJDRTUOCOSYCN-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE Cc1ccc(-c2nc(C3=C(N)N(c4ccc(N5CCCCC5)cc4)CC3=O)sc2C)cc1 170179223 BQXZTEFBTLIPKW-UHFFFAOYSA-N 444.604 5.134 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccncc2)cc1 170201915 MTOFAURFHZVGEC-DEOSSOPVSA-N 436.467 5.026 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccncc2)ccc1Cl 170205368 OPIIKODJNICVDD-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(Cl)ccc3OC)[C@@H]2c2ccccc2)cc1 170224764 BPSMRYQJSWYJRU-QFIPXVFZSA-N 449.890 5.140 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccccc2)c1C 170225952 CVPVJXDSSIKFSE-AREMUKBSSA-N 433.507 6.240 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccccc1)c1cccc2ccccc12 170234285 VECSQNADQHVSQO-VWLOTQADSA-N 437.470 5.757 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1 170236704 ZRZVKLGSKPIHPV-IBGZPJMESA-N 428.872 5.017 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2C2CCCC2)cc1 170246097 GJJYECMUGJWXPU-DEOSSOPVSA-N 447.531 5.102 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(C(C)C)cc2)c(OC)c1 170246155 UEYLZHMQVMQPTI-XMMPIXPASA-N 449.547 5.348 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 170246638 JHJIIJOZCOSSPV-FQEVSTJZSA-N 448.346 5.689 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccco2)c1 170285754 PFTREBDSWUGVRP-HJPURHCSSA-N 429.472 5.003 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2C)[C@H]1c1ccco1 170288725 XNPBLULTOWARKX-NRFANRHFSA-N 437.879 5.341 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2cccc(C)c2C)o1 170302581 SRZQRZJPPGGESV-UPCLLVRISA-N 443.499 5.311 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2sccc2C)cc1 170315228 ADOCWEVQGUUAOP-NRFANRHFSA-N 433.529 5.547 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(C(=O)OC(C)C)cc2)c1 170460002 WMGVALHDVGVRFC-HSZRJFAPSA-N 435.520 5.075 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(N(C)C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 170466855 PXAPFCFKXRMIBL-DEOSSOPVSA-N 434.580 5.565 30 10 IKEE CCC(C)(C)[C@H]1CCc2sc3ncnc(NN=Cc4c(C)[nH]c5ccccc45)c3c2C1 254867774 HFPUONVHCJBZDV-INIZCTEOSA-N 431.609 6.468 30 10 IKEE C=CCN(C[C@@H](NCCC)c1c(Cl)cccc1Br)C(=O)OC(C)(C)C 407150880 HZSCJIOIUXIYLP-MRXNPFEDSA-N 431.802 5.566 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(F)cc2)cc1OC 526604275 GLCKCAYZGJBNKU-DEOSSOPVSA-N 444.462 5.162 30 10 IKEE Cc1ccc(SC2=C(Nc3cccc(C#N)c3)C(=O)N(c3cc(C)cc(C)c3)C2=O)cc1 526660001 JINXPSZIMBGVAW-UHFFFAOYSA-N 439.540 5.473 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccc([N+](=O)[O-])cc1 526821683 FMJYYWINQLBHOL-XYGWBWBKSA-N 445.548 5.857 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1cn(C)c2ccccc12 526824340 WJAMILKGJRYKES-MYKKPKGFSA-N 444.391 5.814 30 10 IKEE Cc1ccc(COc2ccccc2/C=N\n2cnnc2SCc2cccc(F)c2)cc1 526824638 MTFOFARBVJPLHT-VYYCAZPPSA-N 432.524 5.479 30 10 IKEE N#Cc1ccc(COCC2CCN(Cc3ccc(OCc4ccccc4)cc3)CC2)cc1 585222329 YIYHJNUFZMFFSK-UHFFFAOYSA-N 426.560 5.566 30 10 IKEE CCCCCCCCC[S@](=O)CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 586333795 MABYCTOSLXEPMJ-PMERELPUSA-N 448.028 6.009 30 10 IKEE CCCCCCCCC[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 698497653 NKXMXBCWGFYZHU-HXUWFJFHSA-N 437.422 7.223 30 10 IKEE CC(C)[C@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698908458 IDQYNZLZVYTRBX-PMACEKPBSA-N 437.625 5.635 30 10 IKEE COc1ccc(-c2ccc(/C=C3/SC(=Nc4ccccc4C)NC3=O)o2)c([N+](=O)[O-])c1 1084053445 FQTMIJISXZIVGT-UDWIEESQSA-N 435.461 5.063 30 10 IKEE COc1ccc(C=Nc2ccccc2N=Cc2ccc(OC)c3ccccc23)c2ccccc12 1084359538 UWADMMWJZHVSPY-UHFFFAOYSA-N 444.534 7.511 30 10 IKEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(CC(C)C)CC1 1538992401 QQIXJSNVAWYCED-MRXNPFEDSA-N 445.405 5.000 30 10 IKEE CCCCC/C=C/C/C=C/CCCCCCCC(=O)ON1C(=O)c2ccccc2C1=O 1772791270 AIDWYSIDDZLALT-AVQMFFATSA-N 425.569 6.554 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)CCSc2ccccc2)nc2c(C)cccc12 1859656965 LJNURBUHAPLBAZ-UHFFFAOYSA-N 427.533 5.030 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCC)NC(=O)c1c(Cl)ccc(Cl)c1Cl 1861140417 YBRFZRRMIYUYTQ-INIZCTEOSA-N 435.823 6.022 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)c1ccc2nc(C(C)(C)C)[nH]c2c1 1861446024 DGQJFACJDYMLMQ-NRFANRHFSA-N 442.648 5.626 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(F)cc2F)n(Cc2cccc(Cl)c2)n1 1862341322 XROUGULNFCKVDI-UHFFFAOYSA-N 427.882 5.344 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CC(C)C)cc1 1862421728 OMGUCPIKZBXDKV-JOCHJYFZSA-N 442.506 5.045 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(F)cc1F)c1ccccc1Cl 1862432956 QVPHRCXMBYQVGE-IBGZPJMESA-N 445.874 5.458 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1[C@H](C)c1ccccc1 1862443977 VCLQPINQWXOASR-HXOBKFHXSA-N 431.919 5.988 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccccc1Br 1862496395 JKJMULMQCYHJQH-HXUWFJFHSA-N 442.353 5.444 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(N(CC)CC)cc1 1862498182 BWNYCNFDQDKFLX-NTKDMRAZSA-N 434.580 5.526 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(C)cc1 1862533036 KAECTNACIAWVRV-UKILVPOCSA-N 433.592 6.495 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(N)c2)=C(O)C(=O)N1Cc1cccc(Cl)c1 1862554698 IYPPMYPQUUMGNU-JOCHJYFZSA-N 432.907 5.009 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C23CC4CC(CC(C4)C2)C3)cc1 1862589860 VTZRVUMCKNRSKV-GETQMSEISA-N 443.543 5.248 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(F)cc1 1862615998 NZOVKFLWFIMPKX-JOCHJYFZSA-N 439.527 5.127 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 1862676300 GJAQJIAWADIIPZ-NRFANRHFSA-N 438.455 5.035 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862679020 UEPSQHZLPFGEQD-XMMPIXPASA-N 435.539 6.250 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862716764 NPPRUYNMMVKRMG-NRFANRHFSA-N 437.417 5.623 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2C2CC2)cc1 1862726753 NYNNECHYKASDEQ-SANMLTNESA-N 437.539 6.218 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 1862746821 JSWUKTLFGHHEIQ-QFIPXVFZSA-N 434.492 5.286 30 10 IKEE Cc1cc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cccc(C)c3C)C2=O)ccc1F 1863086727 VJGQFNROLRZOCM-UHFFFAOYSA-N 425.463 5.019 30 10 IKEE N#Cc1ccc(N2C(=O)C(Nc3cc(Cl)ccc3Cl)=C(c3cccs3)C2=O)cc1 1863110579 VYXDFNQKYSILOG-UHFFFAOYSA-N 440.311 5.323 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2[N+](=O)[O-])C(=O)N([C@H](C)c2ccccc2)C1=O 1863595784 FNTDQJRRUPOSJZ-LJQANCHMSA-N 449.551 5.386 30 10 IKEE CCC[C@@H](NC(=O)C[C@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccccc1C#N 1866738659 GHBQNWGFYOYPDH-UKILVPOCSA-N 433.596 5.735 30 10 IKEE CC[C@](C)(NC(=O)C[C@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1ccccc1C#N 1866784372 VPDQTIMLPFGREW-KCWPFWIISA-N 443.522 5.143 30 10 IKEE CCC[C@H](NC(=O)[C@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1ccccc1C#N 1866990467 JAQPNDCEHLWXGI-SFTDATJTSA-N 446.378 5.528 30 10 IKEE C=CCN(CC=C)c1cc(N2C[C@@H](C)Cc3c(C)ccc(C)c32)nc(Cc2ccccc2)n1 1869076856 UWUDNGJVRIDEMW-NRFANRHFSA-N 438.619 6.193 30 10 IKEE Cc1ccc(C)c(OCC(=O)Nc2c(C#N)nnn2-c2cc(C(C)C)cc(C(C)C)c2)c1C 1870146141 FUBILASCXVIACF-UHFFFAOYSA-N 445.567 5.329 30 10 IKEE C=CCn1cc(OCCCCOc2ccccc2C)c(=O)cc1CSc1ccc(C)cc1 1870224578 NYUPKNWNSTYULW-UHFFFAOYSA-N 449.616 6.181 30 10 IKEE CCCCCCCOc1cn(Cc2cccc(C)c2)c(CNc2ccc(C)c(C)c2)cc1=O 1870835697 FBJAJUVFQZBILI-UHFFFAOYSA-N 446.635 6.783 30 10 IKEE Cc1ccc(CCN2COc3cc(C)c4c(c3C2)O/C(=C\c2ccccc2F)C4=O)cc1 1871348230 ZGAXEJGMVIJXPL-OYKKKHCWSA-N 429.491 5.453 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1c(F)cccc1Cl)C3=O)CN([C@H]1CCCC[C@@H]1C)CO2 1871355956 OLVGWSOABWHPCH-TUQYMNGQSA-N 441.930 6.134 30 10 IKEE CCOCCCN1COc2c(cc3c(c2C)O/C(=C\c2c(Cl)cccc2Cl)C3=O)C1 1871356000 PXVQGVCMNBZVEW-JAIQZWGSSA-N 448.346 5.497 30 10 IKEE CCc1ccc([C@@H](C)N2COc3c(cc4c(c3C)O/C(=C\c3ccccc3F)C4=O)C2)cc1 1871359930 KXRFPOBFZIWIDA-DBXOKZBGSA-N 443.518 6.226 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(OC)cc2)C3=O)c1 1871387152 HGMOQGYFBGXKSQ-QRVIBDJDSA-N 430.456 5.238 30 10 IKEE Cn1cc(/C=C2\Oc3c(ccc(O)c3CN3CCc4ccccc4C3)C2=O)c2ccccc21 1871394638 ILTDUDMFLHXTLW-WGARJPEWSA-N 436.511 5.058 30 10 IKEE C[C@H](Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O)C(=O)Nc1ccc(F)cc1 1871401240 XINUJJNEUKOXSF-ZDXHCBJDSA-N 437.854 5.501 30 10 IKEE CC(C)OC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871404167 FPOJNWCXMZHAPX-CFRMEGHHSA-N 448.902 6.100 30 10 IKEE COC(=O)c1cccc(COc2ccc3c(c2C)O/C(=C\c2ccccc2Cl)C3=O)c1 1871416248 SRGKLYJCMDHOAB-XKZIYDEJSA-N 434.875 5.630 30 10 IKEE CC(=O)c1cccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccc(C)cc2)C3=O)c1 1871438843 UUYVUMRAQINLDA-CFRMEGHHSA-N 441.483 5.140 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O)Nc1cccc2ccccc12 1871452466 HHVNRLLVRBRDFR-QFEZKATASA-N 439.442 5.613 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)COc1ccc2c(c1)O/C(=C\c1cccs1)C2=O 1871457751 WTQRKGSCBWCKND-JAIQZWGSSA-N 425.893 5.344 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 1872529269 FBOAGDDGZHQOLB-XMMPIXPASA-N 442.625 5.376 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(Cl)cc3Cl)n2)cc1 1872763972 BRBNKFYRRXWOSF-MPNRVQBSSA-N 429.328 6.015 30 10 IKEE N#C[C@H](C(=O)CCCOc1ccccc1)c1nc(-c2ccc(Br)cc2)cs1 1872765381 NRJOKCUWJMGQKE-GOSISDBHSA-N 441.350 5.608 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1 1872765504 QPCKBBZXVKAAEN-SFHVURJKSA-N 439.924 6.204 30 10 IKEE CC(C)Oc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 1872769258 NOQAQCRNBMXHSI-KRWDZBQOSA-N 445.371 6.323 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccc(CC)cc3)n2)cc1 1872770006 GNDZZBGUXCRCOI-HSZRJFAPSA-N 448.588 6.197 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(C(C)C)cc3)n2)c1C 1872778086 CUUBWSWLRVIUGM-SRLUVNLFSA-N 428.601 7.057 30 10 IKEE CCc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2cc(C)c(Cl)cc2OC)cs1 1872786363 IGLAMFKZPLODHK-QGZVFWFLSA-N 440.952 5.598 30 10 IKEE CCN(CC)CCCCNC(=O)c1ccc(CSc2nc(C)c(C)c(C)c2C#N)cc1 1872895335 OUAZAKJEIXGTQF-UHFFFAOYSA-N 438.641 5.023 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2C(F)(F)F)=C(c2cccc(Cl)c2Cl)C1=O 1873341819 RZIOLUXCNCSMOU-UHFFFAOYSA-N 441.236 5.390 30 10 IKEE COc1ccc(N2CC(=O)C(c3nc(-c4ccccc4)c(-c4ccccc4)s3)=C2N)cc1 1873527557 FWHPZWFUFBMGIH-UHFFFAOYSA-N 439.540 5.202 30 10 IKEE C=CCn1c(C(=O)Nc2ccc3nc[nH]c3c2)cc2c(NCCCCCCCC)ncnc21 1873621195 KKGBFLFFVLWNNT-UHFFFAOYSA-N 445.571 5.518 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(C(C)C)cc1)n2CCCOC 1873656684 HHDNBFYJAVKGBW-UHFFFAOYSA-N 447.583 5.022 30 10 IKEE CCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1/N=C/c1ccccc1O 1874195108 YDXRZWOGFCDQTO-KOEQRZSOSA-N 438.597 5.287 30 10 IKEE CSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1c(Cl)cccc1Cl 1874245769 VMYIRHLCAOYCDV-YDZHTSKRSA-N 435.380 5.509 30 10 IKEE CCCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1ccc(F)cc1F 1874247404 COBQDGKEEBHDQN-MFKUBSTISA-N 430.524 5.261 30 10 IKEE CCCSc1nnc(COc2ccc(OC)cc2)n1/N=C/c1ccccc1OC(C)C 1874294101 LKWRSMUDTYEWMQ-BUVRLJJBSA-N 440.569 5.037 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3F)n2/N=C/c2ccccc2)cc1 1874349541 RLEBOWIAELLGOI-WGOQTCKBSA-N 432.524 5.191 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1ccc(OCCCC)cc1 1874379798 MXRWKBQADOQKRW-WGOQTCKBSA-N 438.572 5.737 30 10 IKEE C=C(C)CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1cccc(OC)c1OCC 1874395229 HUEZAYLQRQOZLZ-BIKZULFDSA-N 436.581 5.388 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874479498 CUSIKXAIRHGXFV-LPYMAVHISA-N 429.933 5.357 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2ccc(Cl)cc2)c1 1874483807 OKMFPVQZLCYVGL-ZMOGYAJESA-N 441.988 5.150 30 10 IKEE CC(C)Cc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874488798 JYXLHLUUNRWSOJ-WGOQTCKBSA-N 449.624 5.387 30 10 IKEE CC(C)Cc1nnc(SCc2ccccc2F)n1/N=C/c1c(Cl)cccc1Cl 1874490094 ZFYPYJPBPMNTNU-BHGWPJFGSA-N 437.371 6.097 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 1874577888 KMXANPYDKDWKDP-GXDHUFHOSA-N 427.327 6.867 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(C(C)C)cc2)c1OCc1ccc(F)cc1 1874583949 OFZIMRZVOBPIBL-JLHYYAGUSA-N 438.926 7.086 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)c1OCc1cccc(F)c1 1874592177 QVIQVLFRNGHHOB-FYWRMAATSA-N 442.486 6.471 30 10 IKEE Cc1cccc(NC(=O)COc2cccc(/C=C/C(=O)c3ccc(Cl)cc3Cl)c2)c1 1874593289 BWVQWARKGFCJID-DHZHZOJOSA-N 440.326 6.215 30 10 IKEE CCc1ccc(NC(=O)COc2cc(/C=C/C(=O)c3ccc(CC)cc3)ccc2OC)cc1 1874593916 IHNQMAKFNZDHCY-MHWRWJLKSA-N 443.543 5.734 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OCC(=O)Nc1c(C)cccc1C 1874595439 LKDVZQMGILVUSD-ZRDIBKRKSA-N 449.934 5.879 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc([N+](=O)[O-])c1OCc1ccccc1Cl 1874614701 PIOLHWZJZRLCOH-OUKQBFOZSA-N 437.879 6.122 30 10 IKEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1Br 1874618419 ZTPKOXJXOQOVJI-VQHVLOKHSA-N 431.326 5.294 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc(/C=C/C(=O)c3cccc4ccccc34)cc2)c1 1874623665 PDEZXIFSKWWTKQ-NTCAYCPXSA-N 435.523 6.370 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)c(OC)c1 1874632368 FRHQAOHBIHTJMV-YRNVUSSQSA-N 443.326 6.486 30 10 IKEE Cc1cccc(COc2ccc(/C=C/C(=O)c3c(C)cc(C)cc3C)cc2Br)c1 1874634025 HYZQTDHFSJINLK-CSKARUKUSA-N 449.388 7.158 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(F)c(F)c2F)c1)c1ccc2c(c1)CCCC2 1874693681 QWIHMXNJPWMYEP-MDWZMJQESA-N 436.429 6.098 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1OC(=O)c1ccc(C)cc1 1874695214 PONOPUUFTFHOLC-VZUCSPMQSA-N 441.310 6.426 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2)c(C)c1 1874702284 MPVNJSHWKQMRGH-YRNVUSSQSA-N 435.863 5.980 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OC(=O)c2c(OC)cccc2OC)c1 1874704765 ZHUTXUVJDMWMFT-OUKQBFOZSA-N 432.472 5.136 30 10 IKEE CCCC(=O)Oc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)c(Br)cc1OC 1874713912 UHHCQOHMLXTBMK-MDZDMXLPSA-N 431.326 5.676 30 10 IKEE C=CCN(CC=C)CCC(=O)c1ccc(OC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 1874740811 GDSYGVKZTFCBAW-UHFFFAOYSA-N 441.955 5.188 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc([N+](=O)[O-])c1OC(=O)C1CC1 1875097910 JPCKIXAJRIPXDJ-KPKJPENVSA-N 435.476 5.084 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)c1ccccc1F 1875111273 BZLMUHVZOVLUTD-ZHACJKMWSA-N 445.273 6.256 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Br)c1OC(=O)C1CC1 1875125395 HEPLDDVUPLLJDH-XCVCLJGOSA-N 449.728 5.713 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccnc2)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 1875135335 LMYBUDAAUCMSKY-XVNBXDOJSA-N 443.242 5.412 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c(Cl)c2)c1 1875139776 ZKHICAHQLCDOLS-CSKARUKUSA-N 435.863 5.980 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2ccccc2)cc1 1875168346 YHNBEWAXOXZQJK-FMIVXFBMSA-N 441.310 6.046 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)CCCSC)c(Cl)c2)cc1C 1875187493 BXUJJUKMYLYJLF-VQHVLOKHSA-N 432.969 5.910 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N(CCCC)CCCC)n2CC 1875199548 DQCNEYGPDNQDPI-UHFFFAOYSA-N 429.653 6.266 30 10 IKEE C#CC[C@@H](C)C[C@H](NCCC)c1ccc(I)c(Br)c1 1887452210 JTGKCJCKUXXLQT-WBMJQRKESA-N 434.159 5.144 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Cl)cc1Br 1898823215 DLKHHLXDKWZBCY-MSOLQXFVSA-N 443.813 5.450 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1CC2(CCC2)CN1C(=O)OC(C)(C)C 1922108276 SIHQPJLTPANDCN-XZOQPEGZSA-N 428.617 5.307 30 10 IKEE C=CCC1(NCc2sc(CC)cc2Br)CCN(C(=O)OC(C)(C)C)CC1 1924533252 MQDJNEAELCXRAR-UHFFFAOYSA-N 443.451 5.508 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C12CC2 1925722223 NRCCWJTVDDZZKO-HSZRJFAPSA-N 431.508 5.003 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@]1(C#N)CN(Cc2ccccc2)C2(CCCCC2)C1 1950339496 RSMORKFWKHVROM-AREMUKBSSA-N 425.617 5.751 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@](C)(C#N)[C@]1(C)CCN1C(=O)OC(C)(C)C 1978218116 KJOGKDPFVOFKBL-FCHUYYIVSA-N 435.590 5.167 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)C1(C)C 2013407800 OXYLPOUWKZEPPR-GAJHUEQPSA-N 449.979 5.667 30 10 IKEE CC[C@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2014644658 JJYSOIRVODFTQO-JPYJTQIMSA-N 433.524 5.249 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1)NCCC 2025161147 FTQBAQMRZHOYHZ-QTJGBDASSA-N 430.633 5.601 30 10 IKEE CCCCCCCCCCCC[C@H](O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2034423933 AOKNJSBPPQFWGL-DQEYMECFSA-N 449.676 6.768 30 10 IKEE COc1cc(C(=O)C(=Cc2ccccc2F)c2nc3ccccc3o2)cc(OC)c1OC 2040779944 DWZYPQBSDMJMFJ-UHFFFAOYSA-N 433.435 5.416 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@]1(C)CCN1C(=O)OC(C)(C)C 2045194313 YKCMDYIDJWPUHG-ZEQRLZLVSA-N 445.560 5.118 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1N(C(=O)OC(C)(C)C)CCC12CCCC2 2058786596 MYNCMBCCRUWOTK-BJKOFHAPSA-N 442.644 5.697 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21 2070325486 FDXXIQDBUNTIMS-TZKYFUQOSA-N 432.564 6.014 30 10 IKEE CC#CCCC[C@H](N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2073675662 GVKCBNXNFMOTKG-LBNVMWSVSA-N 429.560 5.399 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCC)c2c(Cl)cccc2Br)C1 2077079314 DDQCDRYRRNIAPB-INIZCTEOSA-N 429.786 5.367 30 10 IKEE Cc1ccc([C@H](n2nc(C3CC3)c(C#N)c2I)C2(C)CC2)c(F)c1 2079061642 ZNNBRQXGDPYWEI-KRWDZBQOSA-N 435.284 5.074 30 10 IKEE CC[C@@H](c1ccc(C)c(F)c1F)n1nc(C2CCC2)c(C#N)c1I 2079896445 IYWYEQHMQKPKKN-AWEZNQCLSA-N 441.263 5.213 30 10 IKEE N#Cc1c(C2CC2)nn([C@@H](c2ccc(C(F)(F)F)cc2F)C2CC2)c1Br 2079906199 XZNNSFHKZSKMNA-MRXNPFEDSA-N 428.227 5.552 30 10 IKEE CC(C)Oc1ccc([C@@H](C2CCC2)n2nc(C(C)(C)C)c(C=NO)c2Br)cc1 2080059455 ABZFFQKQFGSSDE-LJQANCHMSA-N 448.405 5.928 30 10 IKEE CCCOc1ccc([C@H](n2nc(C(C)(C)C)c(C#N)c2Br)C(C)(C)C)cc1 2080077455 FJOVPKSUTFHBHX-IBGZPJMESA-N 432.406 6.239 30 10 IKEE Fc1ccc(C(F)(F)F)cc1-c1c(C(F)(F)F)nn(C2CCCC2)c1Br 2080877049 JSQDBZBXCRRTPK-UHFFFAOYSA-N 445.176 6.604 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1cnn(C(F)F)c1 2120855399 ODVSSISRTPEIQM-CQSZACIVSA-N 427.249 5.047 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1cccc2c1COC2 2156055115 QLWKWDWHLZMXLE-LJQANCHMSA-N 429.314 5.486 30 10 IKEE C[C@H](c1cc(Br)cs1)N(C)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2186595473 RGUHTKFTFSDKTH-CQSZACIVSA-N 436.224 5.003 30 10 IKEE CN(c1ccc(Br)cc1C#N)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1 2197458485 LCIWVVCCYKPZOG-LJQANCHMSA-N 430.346 5.023 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[C@]2(C#N)N(C(=O)OC(C)(C)C)C2CCC2)C1 2213335980 LFFSQMCLKJQUHV-ROMRWMGNSA-N 433.593 5.095 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](Nc3ccc(Br)cc3C#N)CCC[C@H]2C1 2233764575 SABXLLDOFLNTGE-YJLNNSPDSA-N 434.378 5.158 30 10 IKEE CC(C)(C)OC(=O)NCCC1([C@@H](O)C#Cc2ccccc2Br)CCCCC1 2235740092 MMVWAYWUOCMQTB-IBGZPJMESA-N 436.390 5.027 30 10 IKEE CC1(C)OB(c2ccc(Cl)c(C(=O)N(Cc3ccccc3)c3ccccc3)c2)OC1(C)C 2267015207 KRWNMBROGKTYRN-UHFFFAOYSA-N 447.771 5.486 30 10 IKEE CCCN[C@H](C#CC1CCCC1)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2289694040 SCIUPZBRIBURQT-LJQANCHMSA-N 435.406 6.030 30 10 IKEE CCCCCCC[C@H](OCCCN)c1scc(Br)c1Br 2293647786 JXWLWSKZVJTRDN-ZDUSSCGKSA-N 427.246 6.040 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)C[C@@H](NC(=O)OC(C)(C)C)C(C)C 2296311598 YYIJFEZQHKHPHZ-VQTJNVASSA-N 437.422 5.108 30 10 IKEE O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccc(Cl)c(Cl)c2)C1=C(O)c1cccs1 2297747621 LIPAXNJFABKUHE-GOSISDBHSA-N 445.327 5.072 30 10 IKEE Cc1cc(C=C2SC(=Nc3ccc(F)cc3)NC2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 2313558351 YSNMKKWOURIHEJ-UHFFFAOYSA-N 436.468 5.033 30 10 IKEE Cc1ccc(C)c(COc2ccc3c(c2C)OC(=Cc2ccccc2Br)C3=O)c1 2321758163 YTAWLTBYWZOUJU-UHFFFAOYSA-N 449.344 6.570 30 10 IKEE CCn1cc(C=C2Oc3c(ccc4c3CN(Cc3ccco3)CO4)C2=O)c2ccccc21 2321962552 LHFVZJVVDBTVPN-UHFFFAOYSA-N 426.472 5.223 30 10 IKEE CCCCOCCCN1COc2ccc3c(c2C1)OC(=Cc1c(F)cccc1Cl)C3=O 2322145473 OUOKKAXCRTUFNN-UHFFFAOYSA-N 445.918 5.454 30 10 IKEE COc1ccccc1C(=O)C=Cc1cccc(OC)c1OCC(=O)Nc1cccc(C)c1C 2322485494 OGTUTDOGYBAEPZ-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE CCc1ccc(NC(=O)COc2c(C=CC(=O)c3ccc(Cl)cc3)cccc2OC)cc1 2322542348 DMWUMZSJMJILNL-UHFFFAOYSA-N 449.934 5.825 30 10 IKEE Cc1c(OC(=O)c2ccccc2F)ccc2c1OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2322795544 UKFQAZLWKQHVJA-UHFFFAOYSA-N 443.257 6.276 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C)c(C)c2)c1OCC(=O)Nc1ccc(F)cc1 2322901010 CQYQEQFXGRSICI-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC)c2OCCc2ccccc2)c(OCC)c1 2322922651 PFVCZGVJBYQQIW-UHFFFAOYSA-N 446.543 6.010 30 10 IKEE O=C(C=Cc1cccc(OCc2nc(O)c3ccccc3n2)c1)c1ccc2c(c1)CCCC2 2323054815 DTFVRXNOSRQDJC-UHFFFAOYSA-N 436.511 5.689 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3ccccc3F)c2)cc1 2323157755 KGNQUBZJIRPPIA-UHFFFAOYSA-N 433.479 5.528 30 10 IKEE Cc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1[N+](=O)[O-] 2323331695 CPESPYLIWYISLE-UHFFFAOYSA-N 433.391 5.186 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OCc2c(Cl)cccc2Cl)c(Cl)c1 2323701552 WUAXXWLFFYFKQJ-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2OC)cc(OC)c1OCc1cccc(C)c1 2323718975 XOCDBKJLRYYJFX-UHFFFAOYSA-N 428.528 6.216 30 10 IKEE CCCCCCCCCCN1C(=O)C(=Cc2ccc(OCC)c(OC)c2)SC1=S 2323720926 VAQQSPLPEMYLBM-UHFFFAOYSA-N 435.655 6.436 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OCC(=O)Nc1ccc(C)cc1 2323743320 MTVBGXZQXRAZHV-UHFFFAOYSA-N 437.442 5.195 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(F)c2)C3=O)c1 2323858057 YPFWVBGNPVAYND-UHFFFAOYSA-N 430.431 5.534 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(OC)c1OCc1ccc(Cl)cc1 2324241246 DVQZFVUUDWNKPN-UHFFFAOYSA-N 444.861 6.111 30 10 IKEE CCCOc1c(Br)cc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1OC 2324305758 XZYICIIEMPFKDF-UHFFFAOYSA-N 433.342 5.768 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2cccc(F)c2)C3=O)cc1 2324451841 IWELFGUUQDXMBZ-MRXNPFEDSA-N 447.462 5.165 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)ccc1OCc1cccc(F)c1 2324588764 UUJAPFDCIWRXJO-UHFFFAOYSA-N 432.535 6.915 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1N=Cc1cccc(Br)c1 2325522823 AJPFEVNVJICPNZ-UHFFFAOYSA-N 447.377 5.697 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O)Nc1nccs1 2325586960 YEDBZHUTGBIVJV-UHFFFAOYSA-N 447.299 5.084 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2)cc1OC(=O)c1ccc(OCC(C)C)cc1 2325731197 HFYWOFZYLFRNGQ-UHFFFAOYSA-N 430.500 5.845 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2cccc(C=CC(=O)c3cc(C)ccc3C)c2)cc1 2325740539 BDMWUOKEGMTCAW-UHFFFAOYSA-N 442.555 6.527 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1OC(=O)[C@H]1CCCO1 2325754445 VPCLWZYLQNGACJ-RUZDIDTESA-N 444.483 5.468 30 10 IKEE CCSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1ccc(CC)cc1 2325912069 UDPDNLVLXOIHLV-UHFFFAOYSA-N 435.380 5.721 30 10 IKEE CCOc1cc(C=Nn2c(C)nnc2SCc2cccc(C)c2)cc(Cl)c1OCC 2326377389 ZYEIXLBIFHMENZ-UHFFFAOYSA-N 444.988 5.520 30 10 IKEE CCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1ccc(Br)cc1 2326442691 IXQFZNUCCHZSQP-UHFFFAOYSA-N 429.387 5.394 30 10 IKEE Cc1ccc(OCCCc2nnc(SCc3cccc(C)c3)n2N=Cc2ccco2)cc1 2327169462 PXONHPJNOKWGEF-UHFFFAOYSA-N 446.576 5.674 30 10 IKEE Fc1ccc(CSc2nnc(CCc3ccc(Cl)cc3)n2N=Cc2ccco2)cc1 2328024891 AZNURIOITVAZGF-UHFFFAOYSA-N 440.931 5.623 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3F)n2N=Cc2cccnc2)c(C)c1 2328899011 BLNAKMHRPOWHHA-UHFFFAOYSA-N 447.539 5.183 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccco2)cc1C 2328940884 OCYVLEUGNRCSKQ-UHFFFAOYSA-N 434.540 5.587 30 10 IKEE Fc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2N=Cc2cccnc2)cc1 2329862092 MQQBGCLAKDZJAB-UHFFFAOYSA-N 437.931 5.231 30 10 IKEE Cc1ccccc1CSc1nnc(COc2ccccc2)n1N=Cc1sccc1C 2329879895 RSCCYYBFRZMKNW-UHFFFAOYSA-N 434.590 5.710 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2N=Cc2cccs2)cc1 2329966337 GDQKUYYNKXQYIZ-UHFFFAOYSA-N 449.561 5.322 30 10 IKEE COc1cc(C=Nn2c(SCc3cccc(C)c3)nnc2-c2ccccc2)ccc1O 2330645677 KSUFYAJFBSQANC-UHFFFAOYSA-N 430.533 5.142 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SCCC)nnc2-c2ccccc2)cc1OC 2330682933 JCOZVVGEGMRKQZ-UHFFFAOYSA-N 438.597 5.907 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)CCOc3ccccc3)c(Cl)c2)c1 2330781177 XEIRVFWIAXWGRQ-UHFFFAOYSA-N 436.891 5.619 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3C)cc2)cc1 2330825696 PGGHGJFWCLGJBG-UHFFFAOYSA-N 426.556 6.772 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)c(C)c3)c(Cl)c2)cc1C 2330862815 PPLCVGKYXFWONK-UHFFFAOYSA-N 434.919 6.389 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cccc(Cl)c1 2330867301 OYWSEERKQBEUKE-UHFFFAOYSA-N 433.408 6.348 30 10 IKEE CCCCCCC(=O)Oc1c(OC)cc(C=CC(=O)c2ccc(OC)cc2)cc1OC 2330959072 AKVRXROJTNGJHS-UHFFFAOYSA-N 426.509 5.484 30 10 IKEE Cc1cccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2[C@H]2CCCO2)c1 2330975581 AVAMLDSTOWYZGG-LJQANCHMSA-N 447.391 5.919 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@H]2CCCO2)c(Br)c1)c1ccc(Cl)cc1 2331145418 PAFIMUPCGPGUDL-LJQANCHMSA-N 435.701 5.083 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccc(Cl)c(Cl)c1 2331239537 HORNOEMLYIWMMN-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3ccco3)c(OC)c2)cc1 2331293775 AVEQLMSGBKFLBV-UHFFFAOYSA-N 440.879 5.846 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccccc2C)n1N=Cc1c[nH]c2ccccc12 2331327649 CDSSKVWZMTVITH-UHFFFAOYSA-N 446.580 5.023 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3ccccc3)c(OC)c2)cc1F 2331450678 MLRXBAVKBPTFED-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE CCc1ccc(C=Nn2c(SCC(=O)Nc3cccc(C)c3C)nnc2C2CCC2)cc1 2331488882 FCRMHKDRLHXUHO-UHFFFAOYSA-N 447.608 5.338 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1OC 2331611932 CDQQFNSUDGHSRO-UHFFFAOYSA-N 430.928 5.966 30 10 IKEE COc1cc(C=Nn2c(SCc3ccc(C)cc3)nnc2C(C)C)ccc1OC(C)C 2331669832 AYSBCIYCNAEQPL-UHFFFAOYSA-N 438.597 5.680 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H]3CCCO3)c(Br)c2)cc1C 2331706925 SHNKYNIGUCRAAE-NRFANRHFSA-N 429.310 5.046 30 10 IKEE C=CCN(C[C@H](NC)c1c(C)c(C)c(Br)c(C)c1C)C(=O)OC(C)(C)C 2348299946 KZOCBTDMRMMBCO-KRWDZBQOSA-N 425.411 5.366 30 10 IKEE C=CC[C@@H](C)[C@H](Cc1ccc(I)c(Br)c1)NCCC 2349779795 YEAJAZAWFGYFKK-WBMJQRKESA-N 436.175 5.177 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2cc(Br)cc(F)c2C#N)C[C@@H]2CCC[C@@H]21 2360224420 DTZUNNHHNONNNM-YEWDVWPNSA-N 438.341 5.050 30 10 IKEE CCCCCCCC[C@@H](NCC)c1ccc(OCc2ccccc2)cc1Br 2361179737 XWNVBCFAICDKCV-XMMPIXPASA-N 432.446 7.429 30 10 IKEE C[C@@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@]43C)[C@H]1CC/C2=N\N=C\c1ccccc1C(F)(F)F 20275657 FHIHDASURXFVSB-VANODWABSA-N 444.585 7.913 30 10 IKEE COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(O)cc2)c1 21248934 SZGDCJMVPUWPOY-SOKVYYICSA-N 442.515 5.389 30 10 IKEE COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(C)c2)c1 21254679 DGMASYICSSTOMJ-WHLCRQNOSA-N 440.543 5.992 30 10 IKEE O=C(/C(=C\c1cc([N+](=O)[O-])ccc1OC(F)F)c1nc2ccccc2[nH]1)c1ccccc1 34882943 SQKCLJXHIMONIT-GHRIWEEISA-N 435.386 5.496 30 10 IKEE C=CCc1ccc(OCCCn2c(-c3ccc(Cl)cc3)nc3ccccc32)c(OC)c1 40249457 CSXKATACXPBCLG-UHFFFAOYSA-N 432.951 6.563 30 10 IKEE COc1ccc(C(=O)[C@@H]2[C@@H](c3ccsc3)C(C#N)(C#N)[C@H]3c4ccccc4C=CN23)cc1 96592688 APCLDDMGYLAZJK-GIFXNVAJSA-N 437.524 5.167 30 10 IKEE CCCCCCCOc1c(Cl)cc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl 101138322 XEHBDXYWHZMHCA-UHFFFAOYSA-N 449.205 7.902 30 10 IKEE CCCCCCCCCCCCCC(=O)N(CC(=O)Nc1cc(C)on1)C[C@H]1CCCO1 103000679 CSBDKMOBKAWYRC-JOCHJYFZSA-N 449.636 5.630 30 10 IKEE COc1cc(/C=N\Nc2nc3ccccc3s2)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 169890376 JZFWGISDCJWNNM-CFRMEGHHSA-N 448.504 5.547 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2ccccc2OC)cc1 169942148 ULVOUWSGGUAZFQ-RUZDIDTESA-N 441.527 5.657 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccncc1 170018842 AQUSXNJQJZBKPH-QFIPXVFZSA-N 444.874 5.573 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2cccc3ccccc23)cc1 170044542 USCNSQYAVYDINV-SQJMNOBHSA-N 441.527 5.160 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(OCCC)cc2)=C(N2CCC[C@H](C)C2)C1=O 170089243 QCDOPXDMHGRULA-NRFANRHFSA-N 440.628 5.648 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(O)cc2)cc1 170133128 AXBRZGBBDOVIGM-DEOSSOPVSA-N 443.499 5.272 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(C(C)(C)C)cc1 170150169 CAPUUCFKZBYWJA-HXUWFJFHSA-N 446.374 6.279 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccs2)c1 170154166 JANKVRIAXRWNKV-HXUWFJFHSA-N 439.558 5.377 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC(C)C)c3)[C@@H]2c2cccs2)cc1 170159489 NYAAPCVXCLYXCU-QHCPKHFHSA-N 447.556 5.874 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2cccnc2)c1C 170187824 ABVNOJUDICZSAC-DEOSSOPVSA-N 442.515 5.269 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(F)cc1 170243867 BCFYBUQSLRMUMV-JOCHJYFZSA-N 425.500 5.381 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2C)ccc1Cl 170278331 QUWDALUBIKMTRF-JOCHJYFZSA-N 439.939 5.568 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2c2cccc(Cl)c2)o1 170303598 CKGVKNKPKJSPRL-QFIPXVFZSA-N 449.890 5.349 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccc(C)o2)c1 170304587 OXEOOZSITYDCKL-DEOSSOPVSA-N 439.467 5.538 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(OCC)c2)c1 170363237 CAAGFJVYRPGMPT-DEOSSOPVSA-N 443.499 5.267 30 10 IKEE CCc1ccc(N=C2S/C(=C/c3cccc(OC)c3)C(=O)N2c2ccc(CC)cc2)cc1 252622931 OGDLPSCUKHXIFJ-OFGWUVNBSA-N 442.584 6.629 30 10 IKEE CCCCOc1ccc(/C=C2/C[C@H](C)C/C(=C\c3ccc(OCCCC)cc3)C2=O)cc1 253574477 SQTMGMBLJHAWKX-NQFHZVDGSA-N 432.604 7.510 30 10 IKEE Cc1ccc2oc(-c3cc(N=Cc4ccc(OCc5ccccc5)cc4)ccc3O)nc2c1 254808832 PQDNFSRPUPGFFE-UHFFFAOYSA-N 434.495 6.838 30 10 IKEE COc1c(Cl)cc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccco2)cc1Cl 526491520 PCUFRXACFDKXRZ-IBGZPJMESA-N 441.270 5.524 30 10 IKEE Cc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1ccc(Cl)cc1Cl 526806003 UPUIFBGWSIHHGR-MSXFZWOLSA-N 433.408 6.365 30 10 IKEE CC(C)(C)OC(=O)N(C[C@H]1CCCO1)[C@@H](C#N)c1ccc(Cl)c(Br)c1 698472078 PXVGKRPVFKVXJL-CJNGLKHVSA-N 429.742 5.083 30 10 IKEE C[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 698884584 LHDCMZSWALUMIS-QMHKHESXSA-N 433.524 5.249 30 10 IKEE COc1ccc(N=C2C(=O)N3c4c(cc(C)cc42)C(CN2CCCCC2)=CC3(C)C)cc1 1081156864 NLTZDBXYBAORLK-UHFFFAOYSA-N 429.564 5.133 30 10 IKEE CC(=Nn1c(S)nnc1-c1ccc(C(C)(C)C)cc1)c1cccc(Br)c1 1084125089 NYAKYIVABMVZKZ-UHFFFAOYSA-N 429.387 5.566 30 10 IKEE Cc1ccccc1/C=C1/SC(=Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C1=O 1088692004 PWGUPOWBRFQKPY-OMYHDSEFSA-N 439.367 7.110 30 10 IKEE C[P@](=O)(Nc1ccccc1)O[C@@H](c1ccccc1)C(F)(F)C(F)(F)OC(F)(F)F 1088749448 OWWRQOUZYINNQG-MLNJSSBLSA-N 445.271 6.444 30 10 IKEE C=CC[C@@H](Cc1ccccc1)NC(=O)N(CCC)Cc1nc(O)c2ccc(Cl)cc2n1 1681942905 ULPDZUQXZXRVIA-IBGZPJMESA-N 438.959 5.098 30 10 IKEE O=C1/C(=C/c2ccccc2Cl)SC(=Nc2cccnc2Cl)N1C1CCCCC1 1772734172 PBLLTDNSGPYLDL-LCQIMXFNSA-N 432.376 6.325 30 10 IKEE C/C(=C1\SC(=Nc2ccncc2Cl)N(c2ccccc2)C1=O)c1ccc(Cl)cc1 1772738815 WHTUOZFAEOXNKH-RDJYZGLESA-N 440.355 6.587 30 10 IKEE CCc1ccc(NC(=S)N/N=C\c2cn(-c3ccccc3F)nc2-c2cccs2)cc1 1857810557 NYVAMZNNYACQCK-QFEZKATASA-N 449.580 5.623 30 10 IKEE CC(C)c1c(Cl)c(C(=O)Nc2ccc(C#N)cc2)nn1Cc1c(F)cccc1Cl 1859380800 ZERANHVYZJICMO-UHFFFAOYSA-N 431.298 5.625 30 10 IKEE CCOc1cccc(CCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c1 1859650528 SZWPRLYSSCYFON-UHFFFAOYSA-N 436.511 6.455 30 10 IKEE CC(C)(C)c1nc2ccc(C(=O)Nc3ccc(C(=O)Nc4ccc(C#N)cc4)cc3)cc2[nH]1 1860854268 XTSZEVPNSKPEKX-UHFFFAOYSA-N 437.503 5.237 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@@H]2c2ccccc2C)cc1 1862389226 AVEFLJCHQSNBPX-RUZDIDTESA-N 448.607 5.258 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2cccc(Cl)c2)cc1 1862392159 QTTNPZZRMGJDAU-QHCPKHFHSA-N 439.983 6.307 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2cccc(Cl)c2)cc1C 1862403207 PXRCLEFAOAKJJO-OAQYLSRUSA-N 427.928 5.281 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)cc1 1862431916 RHKSDRIZABVHNO-UPKQVVFYSA-N 439.939 5.506 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(Br)cc1 1862452549 FJRROSXBZAAZTD-QGZVFWFLSA-N 434.717 5.089 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(Br)cc1 1862452998 OSHYOEHKTXJMCC-SGTLLEGYSA-N 448.744 5.479 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)c1 1862456406 QZZCHNKRVFOWRM-OSGPJOMKSA-N 443.465 5.569 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(N(C)C)cc1 1862504501 VUSBWODVFUQUQH-QHCPKHFHSA-N 438.543 5.359 30 10 IKEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccccc2)cc1 1862507432 LEFYUPVNVUBSJT-BXKMTCNYSA-N 445.490 5.482 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccc(Cl)c1 1862660422 JBJSDECRXMPZRE-JOCHJYFZSA-N 441.955 5.467 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(F)cc2)cc1 1862662390 JCNAOSITEVSCDK-DEOSSOPVSA-N 429.491 5.728 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccc(O)c2)cc1 1862663643 VJHFAEJSABWWKR-QFIPXVFZSA-N 433.529 5.356 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862670483 VFIWXTYSCSSVCL-HXUWFJFHSA-N 440.883 5.136 30 10 IKEE CC(C)(C)c1ccc(/C=C/C(=O)Nc2c(C#N)nnn2Cc2cccc3ccccc23)cc1 1870106383 KCCDLQRVXFPPHH-DTQAZKPQSA-N 435.531 5.301 30 10 IKEE CC(C)c1cc(C(C)C)cc(-n2nnc(C#N)c2NC(=O)C23CC4CC(CC(C4)C2)C3)c1 1870160676 DZCTXUSGBBJNKW-UHFFFAOYSA-N 431.584 5.541 30 10 IKEE C=CCn1cc(OCC(=O)Nc2ccc(Nc3ccccc3)cc2)c(=O)cc1CSCC 1870309524 CTBFVPNQSXIJQF-UHFFFAOYSA-N 449.576 5.049 30 10 IKEE CCCCCCCCn1cc(OCc2c(Cl)cccc2Cl)c(=O)cc1CN(C)C 1870602275 URCPFLIQAPHUSI-UHFFFAOYSA-N 439.427 6.156 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(C)cc2)cn1Cc1ccc(Cl)cc1 1870769942 PGACRCBHPKWOJV-UHFFFAOYSA-N 448.994 5.611 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(F)cc1)O3)CN(C13CC4CC(CC(C4)C1)C3)CO2 1871352789 CKCFKGLNAXAXFL-VROXFSQNSA-N 445.534 5.871 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(C3CCCCCC3)C4)C2=O)cc1 1871353737 YTZYMIFIPFEIDI-OYKKKHCWSA-N 433.548 5.885 30 10 IKEE CCN(CC)CCCN1COc2c(cc3c(c2C)O/C(=C\c2ccc(C(C)C)cc2)C3=O)C1 1871355118 SMXAZTHFQJYBFR-MYYYXRDXSA-N 448.607 5.618 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OC(=O)CCCOc3ccccc3)ccc2C1=O 1871370851 CERTYOOORUSSNM-JLPGSUDCSA-N 430.456 5.076 30 10 IKEE Cc1cc(OC(=O)CC2CCCCC2)cc2c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O2 1871380254 FCHRGKZWIUGHKI-IWIPYMOSSA-N 432.560 6.785 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(CC)cc2)C3=O)CC1 1871383143 LODWKHOVWISIGT-ONUIUJJFSA-N 432.560 6.767 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(CC)cc2)C3=O)c1 1871388709 JLNFIWITDCFVAF-MYYYXRDXSA-N 426.468 5.649 30 10 IKEE CCn1cc(/C=C2\Oc3cc(O[C@@H](C)C(=O)OC(C)C)ccc3C2=O)c2cc(OC)ccc21 1871401077 SUHIDBLRGZGARQ-PDHRUYIUSA-N 449.503 5.005 30 10 IKEE COC(=O)c1ccc(/C=C2\Oc3cc(OCCOc4ccc(C)cc4)cc(C)c3C2=O)cc1 1871405338 JTYHJNGDISDAQW-IWIPYMOSSA-N 444.483 5.164 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccc(F)cc2)C3=O)c1 1871412110 OXXZWVLILGCERU-YNJLWJOVSA-N 445.490 5.773 30 10 IKEE CCc1ccc(OCCCOc2cc(C)c3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871413156 VKISNKCVJNHNDM-XYGWBWBKSA-N 432.491 6.161 30 10 IKEE CCOC(=O)c1ccc(COc2cc(C)c3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)o1 1871439344 UJCABNNVLJTQBP-MPWPSHSKSA-N 430.456 5.516 30 10 IKEE COc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1Cl 1871453148 JKRIJRNCKIWIIR-KSEXSDGBSA-N 449.890 5.291 30 10 IKEE CCCCCCCCCCN=c1nc(N(C)CCCC)[nH]c(=Nc2cccc(Cl)c2)[nH]1 1871647237 MYZCLYDVSOKTQJ-UHFFFAOYSA-N 447.071 5.901 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1871763279 XQPOAAJXPAOPGZ-XMMPIXPASA-N 442.625 5.376 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Cl)cc1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1871892670 QIZOJTZMRCCLLW-PGRDOPGGSA-N 449.016 5.269 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1ccc(C)cc1 1872065698 CVSQJWDBZFOHMM-HSZRJFAPSA-N 446.588 5.207 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)S(=O)(=O)C1CC1 1872333116 PCTYSDHYFKTWHT-HSZRJFAPSA-N 434.646 5.411 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccccc1C)c1ccccc1)S(=O)(=O)c1cc(C)ccc1C 1872421964 JUMHRCKXQWRFLU-RUZDIDTESA-N 448.588 5.169 30 10 IKEE COc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3ccccc3Cl)cs2)cc1 1872764732 WMNFCTOSEGMTEW-SFHVURJKSA-N 426.925 5.508 30 10 IKEE Cc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(F)cc3F)cs2)c(C(C)(C)C)c1 1872766658 JCFZFSRMTSAYOZ-QGZVFWFLSA-N 440.515 5.950 30 10 IKEE COc1cc(OC)cc(C(=O)[C@H](C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)c1 1872785582 QJNRZBFOQWVSJN-NRFANRHFSA-N 434.561 5.923 30 10 IKEE CCCCCCCCCCNC(=O)c1cc(-c2c[nH]c3ccccc23)nc2ccccc12 1873935212 LTZILZNUWCGOKU-UHFFFAOYSA-N 427.592 7.254 30 10 IKEE CCOc1ccc(OCc2nnc(SC)n2/N=C/c2ccc(Cl)cc2Cl)cc1 1874234477 JYXOQQSJINLMJK-SSDVNMTOSA-N 437.352 5.167 30 10 IKEE Cc1ccccc1OCCCc1nnc(SCCc2ccccc2)n1/N=C/c1ccc[nH]1 1874250007 QXRBGVBXDFLLQH-ZXVVBBHZSA-N 445.592 5.143 30 10 IKEE COc1cccc(CCc2nnc(SCc3cc(C)ccc3C)n2/N=C/c2ccco2)c1 1874310459 WYRUUNNHLMUUOW-WGOQTCKBSA-N 446.576 5.456 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(COc2ccc(C)c(C)c2)nnc1SC 1874318811 KJJYMKKLYKSAIL-AFUMVMLFSA-N 432.549 5.240 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccc(C)c(C)c3)n2/N=C/c2ccco2)cc1 1874328771 FJKSROCENGJKAT-WGOQTCKBSA-N 430.577 5.756 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccccc1OC(C)C 1874367293 VNHJWJSERBDSJQ-ZMOGYAJESA-N 426.973 5.936 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2[C@H](C)c2ccccc2)cc1 1874394568 PTGMUPQKJCEAAC-AXNZHVIBSA-N 446.551 5.752 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2cccs2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874410671 GIGOGTGHZMOKPQ-OEAKJJBVSA-N 449.561 5.322 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CC(C)(C)C)nnc1SCc1ccc(F)cc1 1874437191 OOZLIULYRIKIAI-WGOQTCKBSA-N 438.572 5.745 30 10 IKEE Clc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2[C@@H]2CCCO2)c(Cl)c1 1874448368 ACTOSEDWBVZLID-OEBVFIGYSA-N 447.391 5.653 30 10 IKEE COc1cc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CCCC2)ccc1O 1874457377 NELUUVHOVHXBBU-ZMOGYAJESA-N 442.972 5.478 30 10 IKEE Oc1ccccc1/C=N/n1c(SCc2c(Cl)cccc2Cl)nnc1C(F)(F)F 1874462313 ROJUMYLEDGWKFT-LIMNOBDPSA-N 447.269 5.484 30 10 IKEE Cc1ccccc1CSc1nnc(CC(C)C)n1/N=C/c1ccc(C(F)(F)F)cc1 1874488982 UDOMZQFPDCAUJE-LGJNPRDNSA-N 432.515 5.978 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C(C)C)cc1 1874513684 LCVKYSBDMJICAV-MFKUBSTISA-N 443.016 6.408 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc(O)c(O)c1 1874517344 QLFNZGYMKUDFPZ-LSFURLLWSA-N 437.352 5.294 30 10 IKEE Fc1ccc(CSc2nnc(C3CC3)n2/N=C/c2cc(Br)ccc2F)cc1 1874517897 PXSFULWQMDHWBZ-AUEPDCJTSA-N 449.324 5.371 30 10 IKEE CC(C)(C)c1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C2CC2)cc1 1874522864 PBNMBBZVZUJJTO-LGJNPRDNSA-N 442.991 6.420 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(C(C)C)cc2)c1OCc1cc(C)ccc1C 1874583213 CCNUZGDMVZRVOA-OUKQBFOZSA-N 448.990 7.564 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cccc(C)c3C)c(OC)c2)cc1 1874604846 IHLYPVABKLIVTF-RVDMUPIBSA-N 443.543 5.788 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(Cl)c2)c1 1874604951 BBLWQVGMMVIJOP-DHZHZOJOSA-N 449.934 5.879 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 1874613376 QUGVBFBZFXKGDR-VZUCSPMQSA-N 444.915 5.172 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1 1874616010 WZPSYWSAHYSDGM-AWNIVKPZSA-N 440.326 6.215 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OCc3ccccc3F)c(Br)c2)ccc1F 1874618494 DFNPQZRLWXCVPN-UXBLZVDNSA-N 443.287 6.511 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OCCCO)c(Br)c1 1874624838 XVFDCKWVZNQAJT-RMKNXTFCSA-N 447.369 5.413 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(C)c3)cc2)cc1 1874625750 UQISLEGHQYDLRX-DEDYPNTBSA-N 442.599 7.819 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OCc1ccc(Cl)cc1 1874633094 LTZIKOUYAWIBFM-GXDHUFHOSA-N 446.974 7.169 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Br)c1OCCCO 1874635067 FSAHJNCLHXHCFL-BQYQJAHWSA-N 447.369 5.430 30 10 IKEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc1OCC 1874638448 AFILROAYOVBOCR-JLHYYAGUSA-N 447.531 5.048 30 10 IKEE Cc1cccc(C)c1OCC(=O)Oc1cccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c1 1874707354 BEKNAPYDOXONAZ-SFQUDFHCSA-N 442.555 6.481 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(Cl)c(Cl)c2)c1)c1ccc2c(c1)OCO2 1874707371 BZKMSWJJSAIEOX-XBXARRHUSA-N 441.266 5.837 30 10 IKEE COc1cccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3cc(C)c(OC)cc3C)c2)c1 1874718364 VSZHVUWOCDIPIV-ACCUITESSA-N 444.527 5.755 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(C)c3)c(OCC)c2)cc1 1875130139 ABDNVDQQAAHMCZ-OQLLNIDSSA-N 430.500 5.908 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccco3)c(Br)c2)cc1 1875130566 WIGSFAZOSOYFQP-VZUCSPMQSA-N 441.277 5.556 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)c1cnc(C)cn1 1875137815 GGXYTEYYFFWWLG-BQYQJAHWSA-N 436.895 5.179 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2)cc1 1875138436 WBXKOGXZLVKZSA-QGOAFFKASA-N 442.555 6.527 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(C)c3)cc2[N+](=O)[O-])cc1 1875141855 YRFOMLXYZVPMMC-VZUCSPMQSA-N 449.434 5.095 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2OC)cc1 1875158754 LEVGFGJUIRSKMY-MKMNVTDBSA-N 448.490 5.667 30 10 IKEE COc1cc(C(=O)/C=C/c2ccc(OC(=O)c3sccc3C)cc2)c(OC)cc1Cl 1875172796 LSCRTVSREWVECZ-RMKNXTFCSA-N 442.920 5.842 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCOC[C@H]1C(F)(F)F 1916555850 VWDGMOGLQRHQOV-PBHICJAKSA-N 449.267 5.052 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@@H](N(C)C(=O)OC(C)(C)C)C(F)(F)F)NCCC 1922115446 HNTGRAPGWVNOKC-WOJBJXKFSA-N 444.538 5.316 30 10 IKEE CCCCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(F)(F)C(=O)O 1927480410 QOOZELBLDDXJIJ-QFIPXVFZSA-N 445.506 5.974 30 10 IKEE CC[C@@H](NC(=O)OC(C)(C)C)[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1OC 1941062325 UHRCCABGXFPBEP-JPYJTQIMSA-N 433.549 5.022 30 10 IKEE CC(C)(C)OC(=O)N1CCC([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)CC1 1944711467 CFAARBSMVZITSG-IBGZPJMESA-N 449.979 5.621 30 10 IKEE C=CCC[C@@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](CC(C)C)C(=O)O 1958048924 WAQOGHWFSRPYAP-SHQCIBLASA-N 435.564 5.997 30 10 IKEE C#Cc1ccc(NC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)cc1 1984725719 NNYWFURJZNKNFS-SANMLTNESA-N 438.527 5.170 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)C12CCC2 2005325489 KHVNQMBEVVDMME-BXKMTCNYSA-N 433.593 5.143 30 10 IKEE CCCCCC#CC[C@H](N)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2024369792 JHMWOHAFFHIKNL-JYFHCDHNSA-N 428.617 5.132 30 10 IKEE CCCCCC#CCC(=O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2024424764 VNQFUAQOVOICBM-SANMLTNESA-N 427.585 5.373 30 10 IKEE CCc1cc(Br)c([C@H](C#N)N(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)s1 2029268428 SJPMCESAMRHWPL-WFASDCNBSA-N 429.380 5.054 30 10 IKEE CCOc1ccc2oc(C(=O)N3C(=N[C@H]4CCCC[C@H]4C)SCC3(C)C)c(C)c2c1 2040469846 PQJDUCOVWJQBMP-BEFAXECRSA-N 428.598 6.042 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Cl)c1Br)NCCC 2063091036 YMGDVYLRMOHOLY-HOTGVXAUSA-N 431.802 5.093 30 10 IKEE CC(C)(C)[C@@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)(F)F)c(C#N)c1Cl 2080054308 OKPDJARWHGZBGN-CYBMUJFWSA-N 427.751 6.220 30 10 IKEE Fc1ccc(C(F)(F)F)cc1-c1c(C(F)F)nn(C(F)(F)F)c1Br 2080876968 HEQMNWODHDUMPF-UHFFFAOYSA-N 427.064 5.884 30 10 IKEE CCCCCCCCN(C(=O)OCc1ccccc1)[C@H](C)c1ccc(Br)cc1 2081067031 UATUPXBWFUYEPI-HXUWFJFHSA-N 446.429 7.509 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCC[C@@H]2CSC[C@@H]21 2087834388 SAFKTBKYLJDOGA-LIVBEALHSA-N 437.403 5.616 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1cnn(C(F)F)c1 2120857215 ZDQNBEYRTVBZSA-AWEZNQCLSA-N 427.249 5.047 30 10 IKEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(Cc2ccc(Br)cc2Cl)CC1 2137177519 NOXPFTSBKQFSRK-UHFFFAOYSA-N 426.591 5.256 30 10 IKEE C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNc2cc(Br)ccc2C#N)cc1 2162321661 YFIAXGQUQLRAMW-AWEZNQCLSA-N 430.346 5.519 30 10 IKEE CCC[C@@]1(CNc2cc(Br)ccc2C#N)CCCCN1C(=O)OC(C)(C)C 2162408898 BSWNHVTVPUCVGW-NRFANRHFSA-N 436.394 5.693 30 10 IKEE C[C@H](CC(C)(C)C#N)N(CCCNC(=O)OC(C)(C)C)c1cccc(Br)c1 2165171424 OECPCKNCFUNIFT-MRXNPFEDSA-N 438.410 5.499 30 10 IKEE CC#CCCCC[C@@H](NC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2196175052 UNGAMZUBDOTFRC-WOJBJXKFSA-N 437.422 5.057 30 10 IKEE C=C(c1ccccc1)[C@H](NCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2197155134 MWTJFANMUZMGLT-FQEVSTJZSA-N 431.374 6.160 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCC[C@@H](C(C)(C)C)C1 2238182914 YLMHBENFMGTRLI-OPAMFIHVSA-N 435.406 6.689 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCC[C@@H](C(C)(C)C)C1 2238182915 YLMHBENFMGTRLI-ZHRRBRCNSA-N 435.406 6.689 30 10 IKEE C#CCCCC[C@H](NCCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248486160 INVFAMJAYSPBBK-QHCPKHFHSA-N 428.617 5.002 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)C1C[C@@H]2C[C@H](C1)CN(C(=O)OC(C)(C)C)C2 2249745021 DQDOZKVDMXVRIA-MBDJBHLASA-N 428.617 5.021 30 10 IKEE CC(C)(C)OC(=O)NC[C@@]1(C)CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2249886254 RNDIYXUXZBPCIM-DNQXCXABSA-N 435.609 5.533 30 10 IKEE C=CCCC1([C@@H](N)c2sc(Br)c(C)c2C)CN(C(=O)OC(C)(C)C)C1 2254993662 IFHKYLJJYYSSFH-HNNXBMFYSA-N 429.424 5.331 30 10 IKEE CN[C@H](C#CC1CCCCC1)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2260990359 PKZKJHPGYMPAFJ-SHQCIBLASA-N 440.628 5.002 30 10 IKEE C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)C(=Cc3ccc(OC(F)F)cc3)C[C@H]12 2297736519 PXDOMWMSMCFAEF-QHPFEIKZSA-N 444.562 6.254 30 10 IKEE CCCCCCCOc1ccccc1C=Nn1cnnc1SCc1ccccc1F 2318574146 FPCFXQPTWXFKHO-UHFFFAOYSA-N 426.561 5.941 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)cc1 2321297540 MPWRVGZPCFLOJY-UXHICEINSA-N 441.572 5.418 30 10 IKEE Sc1nnc(C2CCC2)n1N=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 2321901778 XUNJTTCGMKEOLX-UHFFFAOYSA-N 433.364 5.602 30 10 IKEE Cc1ccc(Cc2nnc(S)n2N=Cc2cccc(OCc3ccc(F)cc3)c2)cc1C 2321998532 RLOZKFPWZBAKNC-UHFFFAOYSA-N 446.551 5.375 30 10 IKEE COc1cccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(C2CCCCCC2)C4)c1OC 2322078841 QHZUWTXGKPACAO-UHFFFAOYSA-N 449.547 5.503 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1c(F)cccc1Cl)C3=O)CN(Cc1ccccn1)CO2 2322312009 MZCNKRGXEIVRFN-UHFFFAOYSA-N 436.870 5.151 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(cc4c(c3C)OCN(C3CCCCC3)C4)C2=O)cc1 2322328642 SWRIKKDXXFOXQH-UHFFFAOYSA-N 446.591 5.942 30 10 IKEE CCc1ccccc1NC(=O)COc1c(C=CC(=O)c2ccc(OC)cc2)cccc1OC 2322457368 NJWSZXXDRWQMOZ-UHFFFAOYSA-N 445.515 5.180 30 10 IKEE CCN(CC)C(=O)COc1c(C=CC(=O)c2cccc(Cl)c2)cc(Cl)cc1OC 2322525062 VGGWIGYQVJTGKP-UHFFFAOYSA-N 436.335 5.145 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)ccc2OC)cc1OCc1cccc(F)c1 2323331843 SGSWAGCLMKZRCD-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3C)c(Cl)c2)cc1 2323464795 JKLBFZYCPOWMDQ-UHFFFAOYSA-N 433.935 6.124 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)ccc1OCC(=O)Nc1cccc(C)c1 2323620237 NSZHWKGUGPWSPI-UHFFFAOYSA-N 449.934 5.961 30 10 IKEE Cc1cc(OC(=O)c2ccc(OCC(C)C)cc2)cc2c1C(=O)C(=Cc1ccc(F)cc1)O2 2323635128 GWCGBKQHOHLYOY-UHFFFAOYSA-N 446.474 6.004 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)cc2)cc(OC)c1OCc1cccc(Cl)c1 2323647956 JODLCFYKQCBNNS-UHFFFAOYSA-N 448.946 6.561 30 10 IKEE O=C1C(=Cc2ccco2)Oc2cc(OC(=O)c3c(Cl)ccc(Cl)c3Cl)ccc21 2323656490 LRCNOEBDPOAXQR-UHFFFAOYSA-N 435.646 6.075 30 10 IKEE CCCOc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=CC=Cc2ccccc2)C3=O)c1 2323839786 YYAFAHGNVBXNSW-UHFFFAOYSA-N 440.495 6.175 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(C)c2)C3=O)c1 2323890150 LZNAKXZVNPCFSH-UHFFFAOYSA-N 428.440 5.146 30 10 IKEE Cc1cc(O)c(CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c2c1C(=O)C(=Cc1cccc(F)c1)O2 2324097768 NTTMOAURZNFFPD-WINIVTDRSA-N 435.539 5.857 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OCc2ccccc2Cl)cc1 2324522630 VJBWCTXLBXMOEZ-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE Cc1ccc(OCCCCOc2ccc3c(c2C)OC(=CC=Cc2ccccc2)C3=O)cc1 2324589142 TVOHITXFXYPJOB-UHFFFAOYSA-N 440.539 6.714 30 10 IKEE Cc1ccccc1OCCCCOc1cc(C)c2c(c1)OC(=Cc1cccc(F)c1)C2=O 2324598800 FTUMGNZQZCNGCD-UHFFFAOYSA-N 432.491 6.297 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OCC(=O)N[C@H](C)c3ccccc3)cc(C)c2C1=O 2325020289 XRSILMHYOIJHBV-LJQANCHMSA-N 427.500 5.176 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccc(C#N)cc4)c3C)C2=O)cc1 2325306952 SIHUGXPUTQLENO-SFHVURJKSA-N 438.483 5.197 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OCC(=O)Nc3ccc(Cl)cc3F)ccc2C1=O 2325490164 KFBLGDDOMUMEHQ-UHFFFAOYSA-N 443.883 5.483 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(C(F)(F)F)cc1 2325511806 WZWQGXJTKSARPP-UHFFFAOYSA-N 436.478 5.953 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccc(C(C)(C)C)cc1 2325522938 WWOBRTGHGDAJDD-UHFFFAOYSA-N 434.653 6.710 30 10 IKEE CCCCOc1ccc(C=Nn2c(CCC)nnc2SCc2cccc(F)c2)cc1 2325551089 ITIPUSKYXWDCRH-UHFFFAOYSA-N 426.561 5.723 30 10 IKEE CCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(OCc2ccccc2)cc1 2325592486 CUVKJHXOVHPCMW-UHFFFAOYSA-N 446.551 5.733 30 10 IKEE CCOc1ccc(C=Nn2c(CC)nnc2SCc2cccc3ccccc23)cc1OC 2325603791 JXEFPILGAHFBBM-UHFFFAOYSA-N 446.576 5.576 30 10 IKEE COc1cccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)CCCC4)c2)c1 2325702175 AEKXYNSZNUXKBZ-UHFFFAOYSA-N 442.511 5.455 30 10 IKEE COc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccc(Cl)cc3C)ccc2C1=O 2325716326 ZPSBBWJZRYVATJ-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1OC(=O)Cc1ccc(Cl)cc1 2325724931 ZVXDDBLKFJEWGN-UHFFFAOYSA-N 442.845 5.671 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4F)cc(C)c3C2=O)cc1 2325739541 OKRQESQAAAZAIW-UHFFFAOYSA-N 431.463 5.330 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3c(C)cccc3C)c2)c(OC)c1 2325761950 ZCHFEPOJSHLDFL-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1N=Cc1cccnc1 2325847124 ALXUFCNLIOXBMB-UHFFFAOYSA-N 449.624 5.533 30 10 IKEE COc1cc(C=Nn2cnnc2SCc2ccc(C(C)(C)C)cc2)cc(Cl)c1OC 2326315233 PKVRHHNGECZTOH-UHFFFAOYSA-N 444.988 5.421 30 10 IKEE CCCSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1cn(C)c2ccccc12 2327386132 WRTOZJZTEFRQNU-UHFFFAOYSA-N 447.608 5.686 30 10 IKEE CC(C)c1ccc(C=Nn2c(CCc3ccc(Cl)cc3)nnc2SCCCO)cc1 2328089853 SXJBJRPBJOTQLS-UHFFFAOYSA-N 443.016 5.197 30 10 IKEE Fc1cccc(C=Nn2c(CCc3cccs3)nnc2SCc2cccc(F)c2)c1 2329644908 VMRFIAYOWNSHJP-UHFFFAOYSA-N 440.544 5.578 30 10 IKEE CCCOc1ccc(C=Nn2c(CCc3cccs3)nnc2SCC)cc1OCC 2329655773 ULIHDWXXWFHEAK-UHFFFAOYSA-N 444.626 5.307 30 10 IKEE CCOc1ccc(C=Nn2c(CCc3cccs3)nnc2SCc2ccccc2)cc1 2329663471 FAUDQSCDLIDHLP-UHFFFAOYSA-N 448.617 5.698 30 10 IKEE Fc1ccc(CSc2nnc(COc3ccccc3)n2N=Cc2cccc(F)c2)cc1 2329883439 LOVGLJNYOJSRGY-UHFFFAOYSA-N 436.487 5.310 30 10 IKEE CCCCCCOc1ccc(C=Nn2c(SCC)nnc2-c2ccccc2)cc1OC 2330663288 SHXWBFBFTJKJBH-UHFFFAOYSA-N 438.597 5.907 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)CCCC4)cc2)cc1 2330678661 NSBKNUJLUYTLNE-UHFFFAOYSA-N 426.512 5.618 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3ccco3)c(OC)c2)cc1OC 2330705562 QALJLRZRYOLVSG-UHFFFAOYSA-N 442.851 5.074 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C2CCCC2)c([N+](=O)[O-])c1)c1ccc(Br)cc1 2330889168 QWMBETLULCMRFJ-UHFFFAOYSA-N 444.281 5.349 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(OC)c1OC(=O)c1cccc(F)c1 2330911358 SLTKMBIBQSYOCI-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(OC)c1OC(=O)c1ccccc1C 2330911560 FDJMKZIIPWYMBO-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1Br)c1ccncc1 2330929403 JFEFYIAWIHIURW-UHFFFAOYSA-N 442.696 5.613 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1[N+](=O)[O-])c1cccc(F)c1 2330934075 QWQDIBFDTXMCOM-UHFFFAOYSA-N 425.799 5.503 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)cc(Cl)c1OC(=O)c1ccccn1 2330972245 YADMMRXQSWZWKE-UHFFFAOYSA-N 437.879 5.258 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)c1cccc(C)c1 2331232630 PFVKQBRGNFAYRZ-UHFFFAOYSA-N 440.539 6.464 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1ccc(F)c(F)c1 2331377143 OEUMEJSRIAHSRG-UHFFFAOYSA-N 438.426 5.406 30 10 IKEE CC(C)(C)c1nnc(SCc2ccccc2)n1N=Cc1ccc(Br)cc1 2331396261 DEJKVGNGIXHKCS-UHFFFAOYSA-N 429.387 5.513 30 10 IKEE CC(C)Cc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(O)cc1O 2331467335 DYJMAVLPCGXURE-UHFFFAOYSA-N 432.549 5.216 30 10 IKEE O=C(CCCOc1ccc(Cl)cc1)Oc1ccc(C=CC(=O)c2ccc(F)cc2)cc1 2331512568 LTBXCOICGFUTHE-UHFFFAOYSA-N 438.882 6.140 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccncc3)cc2)cc1 2331541596 KDHAAGIDDIEOFE-UHFFFAOYSA-N 443.543 6.546 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccco2)c(Cl)c1 2331547939 VXHQVQYVYMNADU-UHFFFAOYSA-N 438.907 6.354 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OC(=O)CC(C)(C)C 2331645399 QGKJEWUCCKQYDM-UHFFFAOYSA-N 438.564 6.175 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2OC)ccc1OC(=O)c1ccccc1C 2331727319 ZVHWZFCKQASBNR-UHFFFAOYSA-N 446.499 5.526 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc(Cl)c1OC(=O)CC 2331757383 OWUSNMTZEGEVGG-UHFFFAOYSA-N 437.319 5.921 30 10 IKEE CN[C@@H](C#CC1CCC1)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2337416647 DKNSPXXPELIGIG-LITSAYRRSA-N 441.571 5.270 30 10 IKEE CC(C)(C#N)CCCCOCc1cc(I)ccc1Br 2341550791 VWPVTULOPFUXGN-UHFFFAOYSA-N 436.131 5.290 30 10 IKEE CCCN[C@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)C1CC2(CC2)C1 2344927630 AAZLSZJNMKTZIL-GDLZYMKVSA-N 444.667 5.073 30 10 IKEE COc1cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(C)c2)c(Br)cn1 2362112502 NYMRUVJGUWCWSK-KRWDZBQOSA-N 432.318 5.168 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@H](C#N)c1c(Cl)ccc(Cl)c1Cl 2364578900 SCPGAOMQMFISNQ-MRXNPFEDSA-N 431.791 7.171 30 10 IKEE CCc1cc(Br)ccc1Oc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2364940675 FQTFWLFRDIQTMR-UHFFFAOYSA-N 438.558 5.151 30 10 IKEE COc1ccc(OC)c(/C=C2/S/C(=N\C(=O)c3ccccc3)N(c3ccccc3)C2=O)c1 20228821 NRYFYXKZUIUJRO-HNEFAFEWSA-N 444.512 5.021 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(Cl)c2Cl)cc1 21225698 IRXUPLHPEIHOKD-PBHICJAKSA-N 430.331 5.396 30 10 IKEE CCCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccc(C)cc1)C2 21256548 SOPDDOPYQDWSTE-ONOMSOESSA-N 438.571 6.763 30 10 IKEE CCCn1cc(CN/C(=N/C(=O)c2ccc(C)c(C)c2)Nc2cccc(C)c2C)c(C)n1 32973023 PRPYKOINHFNPGM-UHFFFAOYSA-N 431.584 5.233 30 10 IKEE C=CCN(CC=C)c1nc(Cl)nc2sc(CC)c(-c3ccc(Br)cc3)c12 40703069 GDWBFRSSHSHPQO-UHFFFAOYSA-N 448.817 6.515 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2nc(-c3ccc4[nH]c(=O)oc4c3)cs2)c1 96469334 VHPJPEMPAJWBQV-UHFFFAOYSA-N 434.521 5.335 30 10 IKEE CCCCCCCCC[C@@H](CCCCCCCC(=O)OCCCC)OS(=O)(=O)O 100057295 AVTJBWDHTDGIIG-NRFANRHFSA-N 436.655 6.389 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1cccc(Br)c1 100444269 IYMIRYQRHFBCBA-UHFFFAOYSA-N 441.479 6.963 30 10 IKEE O=C(/C=C\Nc1ccc(Oc2ccc(N/C=C\C(=O)C(F)(F)F)cc2)cc1)C(F)(F)F 103822057 WCMMLZJYHFELTI-HWAYABPNSA-N 444.331 5.593 30 10 IKEE Cc1c(Cl)cccc1/N=C1/SCCN1C(=O)CCc1ncc(-c2ccccc2)o1 104782650 JABZEWDOYBYTAT-YYDJUVGSSA-N 425.941 5.499 30 10 IKEE COc1ccc([C@@H](NC(=O)/C=C/c2cn(CCC#N)c3ccccc23)c2ccccc2)cc1 104824647 SGZZULVRCVEFDC-QUEMPRKLSA-N 435.527 5.483 30 10 IKEE CC(C)c1ccc(/C=C\C(=O)c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 108103835 FAIZMZIJZZOFNF-UWVJOHFNSA-N 426.556 7.223 30 10 IKEE CCCN1C(=S)N[C@H](c2ccc(OC)c(OC)c2Cl)C(C(=O)c2ccccc2)=C1C 169929015 CJTHOWROPRWLMB-HXUWFJFHSA-N 444.984 5.155 30 10 IKEE CCCCCCOc1ccc([C@H]2NC(=S)N(CCC)C3=C2C(=O)CCC3)cc1OC 169929841 RHCHIFXQQQHFCN-HSZRJFAPSA-N 430.614 5.303 30 10 IKEE CCN1C(=S)N[C@H](c2ccc(OC)c(OCc3ccccc3Cl)c2)C(C(C)=O)=C1C 169933347 PBBAFRQALRUICO-JOCHJYFZSA-N 444.984 5.042 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(F)c(F)c2)c1 169968441 NYMPQUAUTRSYKI-OAQYLSRUSA-N 439.845 5.710 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccs2)cc1 169985013 IIHRHFXOJLKSCJ-JOCHJYFZSA-N 445.496 5.676 30 10 IKEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc(Cl)cc1)c1cccc2ccccc12 170058331 RMPSBWUEJBFEOF-CVDCTZTESA-N 447.918 5.251 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2ccccc2)c1 170141819 DICCKHRRVNATCC-MZNJEOGPSA-N 425.484 5.101 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccs2)cc1 170159754 JHPZWUMORCROKU-IVZQSRNASA-N 431.513 5.163 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2cccs2)cc1 170160027 NXUMLYJBBCKBLG-QFIPXVFZSA-N 449.528 5.328 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccccn2)c(C)c1 170175577 PAQQRBFHEGCBNC-DEOSSOPVSA-N 442.515 5.269 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1cccc(OCC)c1 170218488 LMZQOUKFSZKTBR-HSZRJFAPSA-N 437.536 5.171 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccc(O)c(Cl)c1 170220156 BYHCKZIHXATZLY-OAQYLSRUSA-N 443.927 5.069 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(C(C)C)cc1 170245651 XUYJIFXTMLZOOG-RUZDIDTESA-N 449.591 6.142 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccccc1F 170247800 WYYKKXOHHUGVQD-QFIPXVFZSA-N 449.453 5.373 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@H]1c1c[nH]c2ccccc12 170255658 DFXPRUJYNKKLGO-HSZRJFAPSA-N 432.520 5.288 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2C)cc1 170272177 QCKRTOVVQDOPAJ-DEOSSOPVSA-N 427.500 5.567 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccccc1C 170277428 UMGDKKGDQWIVSG-DEOSSOPVSA-N 435.564 5.798 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1c1ccc(C(F)(F)F)cc1 170406214 BEEPZKZWVACIFH-INIZCTEOSA-N 449.475 5.920 30 10 IKEE Cc1cccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(OC(F)(F)F)cc2)c1 170458585 NPZBOZWHWJJMST-SFHVURJKSA-N 433.426 5.409 30 10 IKEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)c1ccc(OCc2ccccc2)cc1 204362553 KRRBOZKEBPPNIT-UHFFFAOYSA-N 443.352 5.126 30 10 IKEE Cc1cccc(C)c1N=C1S/C(=C\c2ccc(C(C)C)cc2)C(=O)N1c1ccccc1 252630642 VBXBPAYKTGQHJF-HRCCQFLKSA-N 426.585 7.235 30 10 IKEE CCSc1nnc(C(F)F)n1N=Cc1ccc(COc2cccc(Cl)c2Cl)o1 254865754 TUELZRCBPNVTDF-UHFFFAOYSA-N 447.294 5.689 30 10 IKEE C=C(C)[C@@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@]21C 255225773 LFPVZIIPFONRSW-TXHKNKHWSA-N 426.729 8.025 30 10 IKEE C=C1CC[C@]2(C)[C@H](O)C[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2[C@H]1C 257446863 IOPDFSGGBHSXSV-PYLZBDOISA-N 442.728 6.996 30 10 IKEE endogenous,in-man C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(F)c(Br)c1)NCCC 406712687 PUIBTUXTMVLHIA-RTBURBONSA-N 443.401 5.358 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccc(Cl)c2)cc1 526605085 UBXALRQTYMRETO-HSZRJFAPSA-N 430.891 5.668 30 10 IKEE CCCCOc1ccc(/C=N\n2c(CCC)nnc2SCc2ccccc2F)cc1 526802628 JEGQKYKGVPSYKE-XYGWBWBKSA-N 426.561 5.723 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccccc2O)c(C)c1 526812384 RTSIOUKGYZMFIS-PKAZHMFMSA-N 442.588 5.560 30 10 IKEE Cc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2ccc(OCC(C)C)cc2)cc1 586201886 YZJMAFRJUDPYCM-UHFFFAOYSA-N 434.561 5.297 30 10 IKEE CC(=O)ON=C1C=C2CC[C@H]3[C@H](CC[C@@]4(C)[C@@H]3C[C@H]3CCCC[C@]34C(C)=O)[C@@]2(C)CC1 607747287 LQJAXDXIQDWPOB-KWCHKHDGSA-N 425.613 6.244 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2ccc(Cl)cc2Br)c1 698419960 RBOXJBRXEDNGMG-SFHVURJKSA-N 435.749 6.417 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1ccc(F)cc1Cl 698455065 ZJMFIRBSOHUZSM-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)N(C[C@H]1CCCO1)[C@@H](C#N)c1ccc(Br)cc1Cl 698467295 BQIORSAMFODRLC-CJNGLKHVSA-N 429.742 5.083 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2cccc(F)c2Br)cc1 698968096 UHNVZFYCXVOWRX-QGZVFWFLSA-N 435.293 5.603 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@@](C)(C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)C1 699663762 ICNPQDGOEYEZRK-UZUQRXQVSA-N 449.617 5.415 30 10 IKEE Cc1cc(C)c(CSc2n[nH]c(NN=Cc3ccc(Br)cc3)n2)c(C)c1 1084581080 XGNZCCLWCBPFID-UHFFFAOYSA-N 430.375 5.231 30 10 IKEE C=CCOc1ccccc1CN(C(=O)Cn1c(O)nc2ccccc21)c1ccc(C)c(C)c1 1443637518 ZCTXNYILURHWSG-UHFFFAOYSA-N 441.531 5.157 30 10 IKEE Cc1ccc(C)c(NC(=O)c2oc3c(c2C)C(=NNC(=S)Nc2ccccc2)CCC3)c1 1772750586 XXKNHPPCKVWNFL-UHFFFAOYSA-N 446.576 5.484 30 10 IKEE COc1ccc(C(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N(c3cccc(C)c3)C2=O)cc1 1772760219 ZSJQBFVSEIWLAF-DEOSSOPVSA-N 444.556 5.721 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(C(=O)OC(C)C)cc2)c(=O)cc1C(=O)O 1857891372 SWBMQJBNFICAJC-UHFFFAOYSA-N 443.540 5.051 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccc2OCc2ccc(C#N)cc2)c1 1858753916 WNCFXSFJTCPKHB-UHFFFAOYSA-N 426.520 5.622 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCC)NC(=O)CCCOc1ccccc1Cl 1861702737 GHUBUIVIRHTLFA-HXUWFJFHSA-N 425.013 5.261 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)CCCOc1ccc(CC)cc1 1861710722 QQKQSSCFSJLRLM-RUZDIDTESA-N 446.676 5.950 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(Cl)cc2Cl)n(-c2ccccc2Cl)n1 1862331986 WPPFRSKHXAMSCB-UHFFFAOYSA-N 446.765 6.314 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2cccc(F)c2)cc1C 1862401548 DEOHCJOGTXQCCV-DEOSSOPVSA-N 445.490 5.230 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2C(C)C)cc1 1862408410 LKBIDBXATPWJJD-HSZRJFAPSA-N 437.536 5.169 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@@H]2c2cccc(O)c2)c1 1862411911 RCYFVAWJLBNECO-QHCPKHFHSA-N 449.453 5.066 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccccc1 1862429712 SWTPEGYYUFDQIX-PGRDOPGGSA-N 425.956 6.277 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccco2)cc1 1862432903 POKYOBMQHLZNRG-QFIPXVFZSA-N 435.907 5.835 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccccc1 1862455667 ACLJBVGEFTYDMV-XMLVGPMBSA-N 429.438 5.261 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2c(Cl)cccc2Cl)cc1 1862481315 CDTQMOPKIVSZFF-MGPUTAFESA-N 446.330 5.059 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(C(C)C)cc1 1862534154 PKGHZNJUZPKZCX-RUZDIDTESA-N 433.592 6.531 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C23CC4CC(CC(C4)C2)C3)cc1 1862554714 JJEASLLSLLPOGX-GETQMSEISA-N 442.559 5.124 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccc(Cl)c1 1862660423 JBJSDECRXMPZRE-QFIPXVFZSA-N 441.955 5.467 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(C(C)(C)C)cc1 1862737765 LJWVTZCWYBWBBL-QVKFZJNVSA-N 436.508 5.269 30 10 IKEE Cc1ccccc1NC1=C(c2cccc3ccccc23)C(=O)N(c2ccccc2C#N)C1=O 1862853907 HSKFLUYKHVRKMY-UHFFFAOYSA-N 429.479 5.417 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C)c2)=C(c2cccc3ccccc23)C1=O 1863220854 SBJCMNLTHHXBCY-UHFFFAOYSA-N 440.587 6.701 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(F)cc2F)C1=O 1863321124 ODQOPXLUJPVPOT-GOSISDBHSA-N 437.490 5.387 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(N(C)C)cc2)=C(c2cc(C)ccc2C)C1=O 1863399419 SWUHJKSOMVHSKO-UHFFFAOYSA-N 447.623 5.922 30 10 IKEE CCCCCCCCN1C(=O)C(NCCc2cccs2)=C(c2ccc(C)c(C)c2)C1=O 1863608129 TVDBLNMKPSYAAW-UHFFFAOYSA-N 438.637 5.638 30 10 IKEE CCOC(=O)c1c(NC(=O)CCCC#N)sc(C)c1-c1ccc(Br)cc1 1866184985 DAQVPXWVMUHJSG-UHFFFAOYSA-N 435.343 5.295 30 10 IKEE CC[C@H](C(=O)N[C@H](C(=O)Nc1cccc(C#N)c1)c1ccccc1)c1ccc(Cl)cc1 1866947416 BSBFITQZIQMSSH-GOTSBHOMSA-N 431.923 5.201 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3cc(OC)ccc3[C@@H]2C)nc(Cc2ccccc2)n1 1869073501 KBRNYFQOCXIHFI-NRFANRHFSA-N 440.591 5.378 30 10 IKEE N#Cc1nnn(Cc2cccc(Cl)c2)c1NC(=O)/C(=C\c1ccccc1)c1ccccc1 1870106387 KFFUSIAHUUIZDL-JCMHNJIXSA-N 439.906 5.031 30 10 IKEE CCCCCCCCCCn1cc(OCCCO)c(=O)cc1CN(CCC)CCCC 1870360304 ZJIXMXKOBCHMST-UHFFFAOYSA-N 436.681 5.762 30 10 IKEE CCCCCCCCn1cc(OCC)c(=O)cc1CNc1ccc(OCC)c(OCC)c1 1870784111 CBBSQECVFQSPTI-UHFFFAOYSA-N 444.616 6.017 30 10 IKEE CCCCCCN1COc2c(cc3c(c2C)O/C(=C\c2cn(C)c4ccccc24)C3=O)C1 1871353438 QLNLNEZRECFHDH-OYKKKHCWSA-N 430.548 5.835 30 10 IKEE COc1cccc(/C=C2\Oc3c(cc4c(c3C)OCN([C@@H]3CCCC[C@H]3C)C4)C2=O)c1OC 1871355962 ORGKQXNMWKEVLL-FCXSKUKRSA-N 449.547 5.359 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OC(=O)c3cccc(Br)c3)ccc2C1=O 1871363995 BCROPZULEYQLMV-WQRHYEAKSA-N 441.302 5.654 30 10 IKEE Cc1ccc(OCC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1 1871369721 GHLIMMKIZIRZRE-QFEZKATASA-N 442.511 6.027 30 10 IKEE Cc1cc(OC(=O)Cc2ccccc2[N+](=O)[O-])cc2c1C(=O)/C(=C/C=C/c1ccccc1)O2 1871376322 FLSOIJGSJYNVFP-JEUHMODBSA-N 441.439 5.224 30 10 IKEE Cc1c(OC(=O)c2ccc(OCC(C)C)cc2)ccc2c1O/C(=C\c1ccncc1)C2=O 1871383271 NHOOAJJLUQLNFW-UCQKPKSFSA-N 429.472 5.260 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871387568 CJQOLOFRFCAAJU-JLPGSUDCSA-N 428.484 5.928 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871410532 DCKFHKFRROIUIA-SGMWPGOQSA-N 447.918 5.925 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2)C3=O)c(C)c1 1871413277 CVERSDXTTAFWLZ-QCYAWUEASA-N 427.500 5.634 30 10 IKEE C[C@@H](NC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O)c1ccccc1 1871424533 MPGXRFPYBHERGT-GEWRUKCFSA-N 433.891 5.212 30 10 IKEE CCCCCCCCCCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O 1871427171 RHNWFQDUCMFAMB-BWAHOGKJSA-N 436.548 6.366 30 10 IKEE CCCOC(=O)[C@H](CC)Oc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 1871432605 DSKNKYKZQFYJON-XGPRFBRNSA-N 442.511 6.080 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OCCc4ccc(C)cc4)ccc3C2=O)cc1 1871437613 OTGLJSFSLGWQNQ-IMRQLAEWSA-N 427.544 6.079 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(F)c(F)c2)cc2c1C(=O)/C(=C/c1ccc(F)cc1)O2 1871442924 FYIQCVNXRJAFHU-NKVSQWTQSA-N 439.389 5.046 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@@H](C)CC)S(=O)(=O)CCC 1871854792 BWKGIUYAOVETPJ-WMZHIEFXSA-N 444.597 5.060 30 10 IKEE C=CCN([C@@H](C(=O)Nc1cccc(C(C)(C)C)c1)[C@@H](C)CC)S(=O)(=O)c1cccs1 1872234241 JSUBPQJDJNGZJD-LAUBAEHRSA-N 448.654 5.276 30 10 IKEE C=CCN([C@@H](CC)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1872303988 LNYSYDMLBDGAFS-NRFANRHFSA-N 449.016 5.168 30 10 IKEE C=CCN([C@H](CC)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1872303989 LNYSYDMLBDGAFS-OAQYLSRUSA-N 449.016 5.168 30 10 IKEE CCOc1ccc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(F)cc3F)cs2)cc1OC 1872766535 HZXSKYHYMPXDNV-QGZVFWFLSA-N 442.487 5.305 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 1872768400 RNEFNMHPDHPOSL-INIZCTEOSA-N 427.869 5.260 30 10 IKEE CC[C@@H](C)N1C(=O)c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)cc2C1=O 1872770370 REGSBLNINOAQJA-QRWLVFNGSA-N 443.528 5.003 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@@H](C#N)C(=O)c3ccc4nc(C)c(C)nc4c3)n2)c1C 1872781875 ZKBBSMZKFKXQBJ-FQEVSTJZSA-N 440.572 6.094 30 10 IKEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(Cl)cc3Cl)n2)cc1C 1872782618 LMQHPPBJGXBKRL-IWHGQQBYSA-N 427.356 6.623 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4cc[nH]c4c3)n2)c(OCC)c1 1872784041 OEMAAPJOXSXGHL-LJQANCHMSA-N 431.517 5.579 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@H](C#N)C(=O)c2ccc(Cl)c(Cl)c2)n1 1872788728 PAMMDRVTMDJQHZ-CYBMUJFWSA-N 437.735 6.269 30 10 IKEE CCCCCCCCNC(=O)c1ccc2nc(CCCOc3c(C)cccc3C)[nH]c2c1 1872807907 KVGVKVAUKCFIGZ-UHFFFAOYSA-N 435.612 6.282 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2cccc(Cl)c2)=C(c2ccccc2C)C1=O 1873106820 XAINXZMILNNBOA-UHFFFAOYSA-N 438.999 5.879 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccccc2C)=C(c2ccccc2C)C1=O 1873302976 MOQOTARRADKOPA-UHFFFAOYSA-N 432.608 6.636 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2C#N)=C(c2cc(F)cc(F)c2)C1=O 1873318267 NFQTZVSHKVUKHE-UHFFFAOYSA-N 437.490 5.389 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(OCC)c2)=C(c2cccs2)C1=O 1873405847 ZATADADLUIQSIW-UHFFFAOYSA-N 426.582 5.699 30 10 IKEE COc1cc(/C=N/Nc2ccccc2Cl)ccc1OCc1ccc(Cl)cc1Cl 1873496332 MOUXLXYAHLEDMW-BRJLIKDPSA-N 435.738 6.680 30 10 IKEE CCCCCCCCCCNC(=O)c1cc2c(N(CCC)CCC)ncnc2n1CC 1873570990 RMXCWUOYAQIMDP-UHFFFAOYSA-N 429.653 5.948 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C)c2C)cc2c(NCc3ccc(F)cc3)ncnc21 1873611478 CAZGUOTUHZCZBK-UHFFFAOYSA-N 429.499 5.238 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)cc2C)cc2c(NCc3cccc(C)c3)ncnc21 1873617922 OZNDBDYWWMDPOP-UHFFFAOYSA-N 425.536 5.407 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(N(CC)CC)cc2)cc2c(N(CCC)CCC)ncnc21 1873666397 XPTKSRRXVGZHAZ-UHFFFAOYSA-N 448.615 5.342 30 10 IKEE CC(C)n1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc(C#N)cc2)c2ccccc21 1873867088 KYZNHXWSWYMYIQ-QFIPXVFZSA-N 446.551 5.168 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccc(O)cc1 1874230711 YETQNLRCMICYDP-FOKLQQMPSA-N 428.945 5.075 30 10 IKEE CSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(Cl)cc1Cl 1874268472 YXXYFPOIZTZUPN-ZMOGYAJESA-N 427.360 5.933 30 10 IKEE C=CCSc1nnc(Cc2ccc(OCC)cc2)n1/N=C/c1ccc(Cl)cc1Cl 1874304151 KQCWUGUEUROCJX-ZVHZXABRSA-N 447.391 5.735 30 10 IKEE Cc1ccc(CSc2nnc(COc3cccc(C)c3C)n2/N=C/c2cccs2)cc1 1874322290 KCGFRUOXWPUNKJ-AFUMVMLFSA-N 448.617 6.018 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2-c2ccccc2Cl)cc1 1874364525 HPYQNAHAEUTWTI-VULFUBBASA-N 436.943 6.221 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874367021 GPFSHMSPXALRBL-LSHDLFTRSA-N 448.335 5.711 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccccc3Cl)n2/N=C/c2ccncc2)cc1 1874368266 RUVLRQPQSDMSLE-DHRITJCHSA-N 440.359 5.821 30 10 IKEE Clc1ccccc1CSc1nnc(Cc2cccs2)n1/N=C/c1cccnc1 1874413142 FEXWSHAPNCDSEQ-YDZHTSKRSA-N 425.970 5.153 30 10 IKEE Fc1ccccc1CSc1nnc(-c2cccs2)n1/N=C/c1c[nH]c2ccccc12 1874422218 AIYNMBUQVQQNPZ-DHRITJCHSA-N 433.537 5.802 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(-c2cccs2)n1/N=C/c1ccccc1 1874423947 NHSZALRNGVIOCC-FSJBWODESA-N 445.400 6.488 30 10 IKEE Clc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2-c2cccs2)cc1 1874424387 IRHQHJSCHQYAIP-FSJBWODESA-N 445.400 6.488 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1ccccc1 1874426521 MJPVQZQMFOMKOO-YZSQISJMSA-N 441.560 5.121 30 10 IKEE COc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccc(Cl)cc2)cc1 1874440576 JAWPGZMTWNOYFU-ZVHZXABRSA-N 428.989 5.703 30 10 IKEE CCCCc1nnc(SCCc2ccccc2)n1/N=C/c1ccc(OCC)c(OC)c1 1874478708 NUHXNTARVPERHD-XIEYBQDHSA-N 438.597 5.245 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1cccc(OC)c1 1874479130 KEVPAPPVGIBDDA-YZSQISJMSA-N 430.577 5.957 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(O)cc1O 1874479244 QJNCNNUCWOWRDL-MFKUBSTISA-N 432.549 5.360 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(SCc2cccc(F)c2)nnc1C(C)(C)C 1874482776 NFWYIKCZJRSZNX-JFLMPSFJSA-N 448.567 6.051 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C(C)(C)C)cc1O 1874485075 CROZGJKVYHKZSS-CVKSISIWSA-N 446.576 5.618 30 10 IKEE COc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2c(F)cccc2Cl)cc1 1874491685 DSNLOFJNDUZWGO-WYMPLXKRSA-N 432.952 5.452 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCC3)n2/N=C/c2ccc(Cl)cc2Cl)c1 1874496067 UEIKEMNVMWCFJM-BRJLIKDPSA-N 445.419 6.644 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1cc(Br)ccc1O 1874504080 JEIVKORRGBTUEN-SSDVNMTOSA-N 449.349 5.012 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1/N=C/c1ccc(CC)cc1 1874505389 UVYXTGPJHKXLHH-MFKUBSTISA-N 435.597 5.023 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccc(C(C)C)cc1 1874508699 QQJDGBIETQHIHD-DHRITJCHSA-N 447.435 6.835 30 10 IKEE C[C@H](NC(=O)COc1ccccc1/C=C/C(=O)c1ccc2c(c1)CCCC2)c1ccccc1 1874572070 VFOQAZHPSRHBGC-APOCOGJHSA-N 439.555 5.718 30 10 IKEE Cc1cc(C(=O)/C=C/c2c(OCc3c(F)cccc3Cl)ccc3ccccc23)ccc1F 1874580612 WYQCFJHBKQCCCR-ACCUITESSA-N 448.896 7.555 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c1OCc1cccc(C)c1 1874582757 GDXGYPBKGFXEBL-SDNWHVSQSA-N 448.990 7.430 30 10 IKEE CC(C)COC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1cccc2ccccc12 1874583641 YLBZXNZSWQIYRA-FOCLMDBBSA-N 438.523 6.467 30 10 IKEE Cc1ccccc1NC(=O)COc1cccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1 1874593510 MXQBVQSUBKVVDD-FMIVXFBMSA-N 440.326 6.215 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2cccc(/C=C/C(=O)c3cccc4ccccc34)c2)c1 1874597227 AODAZRZMBCMLKB-BUHFOSPRSA-N 435.523 6.370 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC)c(OCc3ccc(Cl)cc3)c2)cc1C 1874599880 JBMWJJNCBIBKCP-YRNVUSSQSA-N 436.935 6.449 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OCc1ccccc1Cl 1874608235 CQRBFMVDCNUHEP-ACCUITESSA-N 427.327 6.867 30 10 IKEE Cc1ccc(C)c(COc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2[N+](=O)[O-])c1 1874622643 NMFWXUQJXXZNDF-RIYZIHGNSA-N 443.543 6.984 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OCC)c(Br)c2)cc1 1874625408 CTNMOHAXQHHRPH-OQLLNIDSSA-N 445.397 7.093 30 10 IKEE CCCCCCCOc1ccc(C(=O)CCN2CCN(c3ccccc3OC)CC2)cc1 1874689861 DXJBAGIKKLQVDI-UHFFFAOYSA-N 438.612 5.439 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OC(=O)Cc1ccc(F)cc1F 1874699136 GJZLGIDRLAJDJD-WTDSWWLTSA-N 442.845 5.671 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cccc(OC(=O)COc2ccc(C)c(C)c2)c1 1874713242 NBANMAJOIBVSBC-ZRDIBKRKSA-N 444.527 5.809 30 10 IKEE COc1ccc(CCC(=O)Oc2cc(/C=C/C(=O)c3ccc(C)c(C)c3)ccc2OC)cc1 1874713791 NWMZJPZPFZTLLA-RIYZIHGNSA-N 444.527 5.755 30 10 IKEE C=CCN(CC=C)CCC(=O)c1cccc(OC(=O)CCCOc2ccccc2C(C)C)c1 1874738367 LVZIHZBIVPIBIY-UHFFFAOYSA-N 449.591 5.821 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1 1875080821 UNFYLJSPCAIDLK-UFFVCSGVSA-N 448.518 6.868 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)ccc1OC(=O)Cc1ccccc1 1875099535 MWQSYOKRDWJXML-JLHYYAGUSA-N 446.499 5.147 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)c1ccccc1C 1875120325 OKYKJYRFMMFOMC-JXMROGBWSA-N 442.845 6.051 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Br)c1OC(=O)C1CCCC1 1875137038 SLMPNOQYZJLRMH-FMIVXFBMSA-N 443.337 5.758 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(F)c3)c([N+](=O)[O-])c2)cc1 1875138778 WUINEFIFFVJQQI-WUXMJOGZSA-N 449.434 5.638 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OC(=O)CC(C)C 1875148938 QBIYUOBHMBVFDC-KPKJPENVSA-N 428.956 6.494 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OC(=O)Cc1cccs1 1875164036 PJFRLFCWQVWNNX-WEVVVXLNSA-N 428.456 5.469 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)cc(Cl)c1OC(C)=O 1875188207 PZNLTLAZZWEWEI-AATRIKPKSA-N 443.710 5.876 30 10 IKEE COc1cc([C@@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)ccc1Br 1883182900 YVBSKNUNFFEAPS-GOSISDBHSA-N 431.330 5.460 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 1922056757 ZKKGQUVAGKHEIZ-LOSJGSFVSA-N 438.612 5.264 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](O)c1ccc(Br)cc1Cl 1922056759 ZKYUWKZGYVWIJE-LEWJYISDSA-N 438.793 5.277 30 10 IKEE C=C(C)CC[C@H](NCCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997457444 XENHUPPADXFNNN-OZXSUGGESA-N 430.633 5.555 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@](C)(C#N)CCCN(C)C(=O)OC(C)(C)C 2002713580 ZJTPVTNAYKQIFJ-DEOSSOPVSA-N 431.577 5.666 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(C)C 2004154629 GMKDYDCBTVQGNF-VXNXHJTFSA-N 430.633 5.267 30 10 IKEE C=CCC1([C@H](O)c2c(Br)ccc(Cl)c2F)CN(C(=O)OC(C)(C)C)C1 2037644545 CYWCIPIUHGESBD-OAHLLOKOSA-N 434.733 5.088 30 10 IKEE COc1cc(C(=O)C(=Cc2ccc(C)cc2)c2nc3ccccc3o2)cc(OC)c1OC 2040779951 XGLXGSZNGFDZKV-UHFFFAOYSA-N 429.472 5.586 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@]1(C#N)CCN(Cc2ccccc2)C2(CC2)C1 2042191280 WKCSQJMKDJLSBR-AREMUKBSSA-N 435.543 5.658 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCC[C@H]2OCc2ccccc2)c1 2043763167 QEVNBZLLXDYVHO-BVAGGSTKSA-N 436.552 5.858 30 10 IKEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@]1(C#N)CC[C@H](C)C[C@H]1OCc1ccccc1 2043776927 TWRFSPQCIPLNOH-SYVJQLTCSA-N 443.632 5.233 30 10 IKEE CC1(C)OB(c2cnc(N(Cc3ccccc3)CC3CCC3)c3sccc23)OC1(C)C 2052608320 HSXVBZARPMKTEU-UHFFFAOYSA-N 434.414 5.402 30 10 IKEE CC(=O)Oc1ccc([C@@H](n2nc(C(F)F)c(C#N)c2Br)C(C)(C)C)cc1 2080104738 HRDNCSKHMZTJCU-OAHLLOKOSA-N 426.261 5.016 30 10 IKEE CC(C)Oc1ccc([C@@H](C2CCC2)n2nc(C3CCC3)c(C#N)c2Br)cc1 2080126688 QDECIBFSSUWMNN-OAQYLSRUSA-N 428.374 5.961 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(Cl)cccc1Br 2089287633 ZHODBBYNPVAZIJ-AEFFLSMTSA-N 443.813 5.450 30 10 IKEE CCCCCC#CC[C@@H](NC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2139010117 ZSYSXASGESIHPR-MUUNZHRXSA-N 441.615 7.079 30 10 IKEE CC(C)(C)OC(=O)N1Cc2ccc(CNc3ccc(C#N)cc3Br)cc2C1 2162414447 JXECISBJNSWEBU-UHFFFAOYSA-N 428.330 5.184 30 10 IKEE C[C@@H]1[C@H](Nc2cc(Br)cc(F)c2C#N)CC(C)(C)CN1Cc1ccccc1 2163690219 QBIGXACZFLVWBU-QVKFZJNVSA-N 430.365 5.561 30 10 IKEE C[C@@H]1[C@@H](Nc2cc(Br)cc(F)c2C#N)CC(C)(C)CN1Cc1ccccc1 2163690220 QBIGXACZFLVWBU-VFNWGFHPSA-N 430.365 5.561 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2cc(Br)ccc2c1 2180890715 JIOUEUDAPYYAKJ-SFHVURJKSA-N 433.346 5.400 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1OCc1ccc(Cl)cc1Br 2197493870 ISSPLAOZQFPHOM-UHFFFAOYSA-N 437.570 5.289 30 10 IKEE C=CCC1([C@H](NCC)c2cc(F)c(Br)c(F)c2)CN(C(=O)OC(C)(C)C)C1 2207141352 DWXCVJSZTXLZIG-QGZVFWFLSA-N 445.348 5.191 30 10 IKEE C=CCCC[C@@H](NCC)c1sc(Br)c(Br)c1Br 2216492044 HGPRLSXFOGRYGA-MRVPVSSYSA-N 446.046 6.043 30 10 IKEE C=CCC[C@H](NCCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229122438 GAKUNNZGGVVSDX-RBUKOAKNSA-N 425.411 5.219 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)c1ccc(CNC(=O)OC(C)(C)C)s1 2235734277 WGKISKQEGQXBGE-GOSISDBHSA-N 449.414 5.238 30 10 IKEE CC(C)[C@H](CCNC(=O)OC(C)(C)C)CC[C@@H](N)C#Cc1ccccc1Br 2235746947 MBJQMMMMXLYCSM-PKOBYXMFSA-N 437.422 5.095 30 10 IKEE CCCN[C@@H](C#CC1CCCCC1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2251402473 XHIYMUDMJAAAIP-RUZDIDTESA-N 426.645 6.156 30 10 IKEE Cc1cc(C(=O)N(Cc2ccccc2)[C@@H](C)C(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2255837852 WMTDAPWGPXGIRX-SFHVURJKSA-N 441.446 5.433 30 10 IKEE C=CC[C@@]1(COc2ncc(C)cc2Br)CCCCN1C(=O)OC(C)(C)C 2272079000 AEJIFKXADKGBEG-FQEVSTJZSA-N 425.367 5.267 30 10 IKEE C=CCN(C[C@@H](NCCC)c1cc(Br)cc(C(C)C)c1)C(=O)OC(C)(C)C 2280717610 IZFGAQAJRONNOP-HXUWFJFHSA-N 439.438 6.036 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CCC[C@H](C1)[C@@]2(C#N)Nc1cccc(Br)c1 2285814957 PCTICRBKUZXSCX-XXNZZRGYSA-N 434.378 5.227 30 10 IKEE CCOC(=O)C1=C(Nc2cccc3ccccc23)SC(=Cc2ccc(O)c(OC)c2)C1=O 2293591219 FZLDJJMDDDSASE-UHFFFAOYSA-N 447.512 5.098 30 10 IKEE Cc1cccc(N=C2NC(=O)C(=Cc3ccc(Sc4ccc(Cl)cc4)o3)S2)c1 2294009807 CBSRRWYSANEKAR-UHFFFAOYSA-N 426.950 6.284 30 10 IKEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)C#Cc2cccc(Br)c2)cc1 2296223669 CBWMCVQJCWZJOU-OAHLLOKOSA-N 428.326 5.269 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)CCCCN(C)C(=O)OC(C)(C)C 2296304695 KGPXRKBDOLYDIG-FQEVSTJZSA-N 437.422 5.206 30 10 IKEE CN[C@H](C#Cc1ccc(Br)cc1)c1ccc(Cl)c(NC(=O)OC(C)(C)C)c1 2296306563 IULZSEXZWQFUKH-GOSISDBHSA-N 449.776 5.762 30 10 IKEE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)SC1=S 2296711381 UHBOETHASHIRCZ-UHFFFAOYSA-N 435.549 5.374 30 10 IKEE COc1ccc(C=C(C(=O)c2ccc(OC)c(OC)c2)c2nc3ccccc3o2)c(OC)c1 2297471575 AYWGLLXWKRHNOW-UHFFFAOYSA-N 445.471 5.286 30 10 IKEE C=CCOc1c(Br)cc(C=C2C=C(c3ccc(C)cc3)OC2=O)cc1OC 2297550944 RSUUGFSWVFDJQF-UHFFFAOYSA-N 427.294 5.312 30 10 IKEE COc1cc(C=CC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)ccc1OCCC(C)C 2314770328 PCOWLCVVTCKPRQ-KRWDZBQOSA-N 438.593 5.830 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)C23CC(CCN2C(=O)OC(C)(C)C)C3)cc1 2318802634 DNADKEZAGKSYDZ-PSWPWZSKSA-N 441.572 5.418 30 10 IKEE CCCCCCCCCOc1ccc(C=Nn2c(S)nnc2C2CCC2)cc1Cl 2321901772 WULLSFANJCJIEZ-UHFFFAOYSA-N 435.037 6.499 30 10 IKEE CC[C@@H](C)N1COc2ccc3c(c2C1)OC(=Cc1cc(Br)ccc1OC)C3=O 2322092069 KHHSJXOMGQWTLE-CYBMUJFWSA-N 444.325 5.024 30 10 IKEE O=C(COc1ccccc1C=CC(=O)c1ccc(-c2ccccc2)cc1)NC1CCCCC1 2322286975 VNZPRLOJHVIJTJ-UHFFFAOYSA-N 439.555 6.077 30 10 IKEE CCc1ccc([C@@H](C)N2COc3c(cc4c(c3C)OC(=Cc3cccc(C)c3)C4=O)C2)cc1 2322455534 ZQWCMTYKGLFFNC-HXUWFJFHSA-N 439.555 6.395 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(Cl)cc2C=CC(=O)c2ccc(F)cc2F)c1 2322502102 OPQZWWLYTBGLJG-UHFFFAOYSA-N 441.861 5.840 30 10 IKEE CCc1ccccc1NC(=O)COc1c(C=CC(=O)c2ccc(C)cc2)cccc1OC 2322601321 CTYYHMZBINWLTJ-UHFFFAOYSA-N 429.516 5.480 30 10 IKEE COc1cccc2cc(C(=O)Oc3cc(C)c4c(c3)OC(=Cc3ccccc3F)C4=O)oc12 2322860352 NZZISFPLAVDNDF-UHFFFAOYSA-N 444.414 5.724 30 10 IKEE CCCOc1c(OC)ccc(C=CC(=O)c2ccc(OC)c(Cl)c2)c1Br 2323310625 SODZDNUQFGCSTE-UHFFFAOYSA-N 439.733 5.805 30 10 IKEE CC(C)c1ccc(C=C2Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc3C2=O)cc1 2323532417 WUGPRZHMDNYTFD-UHFFFAOYSA-N 448.902 6.064 30 10 IKEE C=C(C)COc1ccc(C=CC(=O)c2ccc(OCCC)c(OCCC)c2)cc1[N+](=O)[O-] 2323745313 UQNLZVYHNLTUJF-UHFFFAOYSA-N 439.508 6.023 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Cl)c1OCCc1ccccc1 2323758645 UONFHOOUJGKFHJ-UHFFFAOYSA-N 427.327 6.520 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)c1 2324023478 FOGAGXZKAHLHIO-UHFFFAOYSA-N 437.423 5.226 30 10 IKEE Cc1cc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(Cl)c(Cl)c3)n2)ccc1F 2324563928 IMZUEWTXDMXJID-HNNXBMFYSA-N 431.319 6.454 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)C=Cc2ccc(C)cc2)n1 2324677006 DIMFRBFFKBMMHZ-NRFANRHFSA-N 430.573 6.314 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(Cl)cc4)cc(C)c3C2=O)cc1 2325513511 UIBWKRPJEBPQOB-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)CCc3ccccc3)c2)cc1 2325738985 JYZAAZZZAOZRCG-UHFFFAOYSA-N 444.527 5.918 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc3c(c2C)OC(=Cc2sccc2C)C3=O)c1 2325741117 LDNBXMVTDBHXLT-UHFFFAOYSA-N 433.529 5.615 30 10 IKEE CCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1c[nH]c2ccccc12 2326005044 NZJSMUJVLDOVIU-UHFFFAOYSA-N 439.972 5.419 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1cc(Cl)c(OC)c(Cl)c1 2326303342 KMEXWTGNGKNTCB-UHFFFAOYSA-N 449.407 6.029 30 10 IKEE CCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1cccc(Cl)c1 2326930991 BYCHAMHVKWCWQE-UHFFFAOYSA-N 429.033 6.075 30 10 IKEE CCCSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1cccc([N+](=O)[O-])c1 2327385651 YTHSTBFILGXWJZ-UHFFFAOYSA-N 439.541 5.102 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1cccc(OCC)c1 2328790116 YXLPGBALSPOXQF-UHFFFAOYSA-N 436.581 5.423 30 10 IKEE CCCSc1nnc(CCc2ccccc2C)n1N=Cc1c(Cl)cccc1Cl 2329502970 VCBXHKMHAOMJJS-UHFFFAOYSA-N 433.408 6.063 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3[N+](=O)[O-])c(OC)c2)cc1 2330770014 SKAKDXDQLGJKQD-UHFFFAOYSA-N 445.471 5.210 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccccc1 2330873393 NFJIKWXGGZQFAB-UHFFFAOYSA-N 433.408 6.348 30 10 IKEE C[C@@H](Oc1ccc(Cl)cc1)C(=O)Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1 2330910664 JGHPFZLJBYKCMW-MRXNPFEDSA-N 441.310 6.262 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Cl)c(OC(=O)c2cccs2)c(OC)c1 2331049783 VLLWJPJRWVTCPP-UHFFFAOYSA-N 428.893 5.534 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1Cl)c1ccc(Cl)cc1 2331089745 KJUDKJUAYFVPRF-UHFFFAOYSA-N 433.237 6.387 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1)c1ccccc1 2331162020 JGKDHSYRIKSTQU-UHFFFAOYSA-N 442.471 5.310 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OC(=O)Cc1ccc(C)cc1 2331174031 HEKUSPPJTOBADZ-UHFFFAOYSA-N 434.919 6.091 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(-c2ccco2)n1N=Cc1cccs1 2331215973 HPRKULPBYYJZGW-UHFFFAOYSA-N 435.361 6.081 30 10 IKEE CCCOc1ccccc1C=Nn1c(CCOC)nnc1SCc1cc(C)ccc1C 2331282346 IGTJWZBPCUBFSM-UHFFFAOYSA-N 438.597 5.047 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C(C)(C)C)cc1 2331405355 IUABMUUVJBZAHR-UHFFFAOYSA-N 427.017 6.527 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OC(=O)CC(C)C 2331418157 NCHFCZALRSEEAI-UHFFFAOYSA-N 442.983 6.884 30 10 IKEE O=C(CSc1ccccc1)Oc1ccc(C=CC(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 2331530371 ZFIPTUDXLZGXHA-UHFFFAOYSA-N 437.448 5.328 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 2331535449 GPHGGBLCKGFZHJ-UHFFFAOYSA-N 448.534 6.242 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3c(OC)cccc3OC)cc2)c(C)c1C 2331612113 GTZNHBHDLDJYCZ-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)COc3ccccc3)cc2)c1 2331673775 GHJRPIBRNLOSOD-UHFFFAOYSA-N 446.499 5.365 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)cc1C 2331835529 IDGSUEVOCLGVMQ-UHFFFAOYSA-N 445.471 5.644 30 10 IKEE C[C@H](Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCN(Cc2ccccc2)C1 2339545455 WOEQDXBCBNCCNX-REWPJTCUSA-N 433.405 5.049 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C(C)(C)C 2339574853 NZPYUQIILVEIKJ-JKGDOXCYSA-N 446.397 5.044 30 10 IKEE C=CC[C@@H](CN[C@H](C)CC)Cc1ccc(I)c(Br)c1 2349918010 SZCGCWJTNLLXOR-TZMCWYRMSA-N 436.175 5.177 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@]2(CCNc3ccc(C#N)c(Br)c3F)CC[C@H]1C2 2363705337 AJRXXZJINXYMRC-VBKZILBWSA-N 438.341 5.051 30 10 IKEE Cc1c(Br)ccc(Nc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)c1C 2364867628 JPKYYUXQOPWSHO-UHFFFAOYSA-N 437.574 5.157 30 10 IKEE C[C@H](Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)c1nscc1Br 2365111748 JWLPYGBAKAKKBO-BCPZQOPPSA-N 436.184 5.118 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3Cl)nn1[C@@H]2c1ccco1 1283470 UWMZCMIGDIZMJN-LJQANCHMSA-N 440.956 5.475 30 10 IKEE O=C1/C(=C\c2cccc(Br)c2)CCCC/C1=C\c1cccc(Br)c1 2549095 CNSXFVWMPXOOIB-MJZABRMRSA-N 446.182 6.822 30 10 IKEE Cc1sc2ncn(Cc3ccccc3C#N)c(=O)c2c1-c1ccc(Br)cc1 8898829 HVBDRPPZRRQUIJ-UHFFFAOYSA-N 436.334 5.116 30 10 IKEE CCCCCSc1nc2n(n1)[C@H](c1ccc(Br)cc1)C1=C(CCCC1=O)N2 9942364 KQQLEXWUKMHFIH-GOSISDBHSA-N 447.402 5.345 30 10 IKEE Cc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3F)C(C#N)(C#N)[C@@H]3C=Cc4ccccc4N23)cc1 20071678 ORDAQYJPJNSNSJ-GSDHBNRESA-N 433.486 5.418 30 10 IKEE COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc(C2(C#N)CCCC2)cc1 30826312 IOTPDWZQXILHJV-UHFFFAOYSA-N 429.545 5.311 30 10 IKEE O=C(/C=C\c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccc(-c2ccccc2)cc1 34955618 YOYVQEZMQNPRND-NVMNQCDNSA-N 449.462 6.377 30 10 IKEE C=CCC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C1CC1 36307625 LYRIZRDVHLADLC-QFIPXVFZSA-N 435.543 5.310 30 10 IKEE C=C(C)C(=O)NCCCCCc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 40219752 ODOGNFLYYKAFBI-UHFFFAOYSA-N 430.379 5.797 30 10 IKEE O=[N+]([O-])c1ccc(/C(CSc2nc3ccccc3o2)=N\Nc2cccc([N+](=O)[O-])c2)cc1 59460575 KQPAYTBBXWAWEX-CLCOLTQESA-N 449.448 5.253 30 10 IKEE O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)S/C(=N/Cc2ccccc2)N1Cc1ccccc1 83311805 IZVJAXDYUKJUCR-UQRBVYKBSA-N 429.501 5.268 30 10 IKEE CCCCCCCCC(=O)N1CCN(c2nc(-c3cccc(C)c3)nc(C)c2CC)CC1 98021465 YBUGDFFUKKZGJM-UHFFFAOYSA-N 436.644 5.722 30 10 IKEE CCCCCCCOc1ccc(NC(=O)COc2ccc(CC)cc2Br)cc1 100155354 ZAXZNMZMAWWFLV-UHFFFAOYSA-N 448.401 6.378 30 10 IKEE CCCCCCCC(=O)NC(=S)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 100286606 CRELJSUQAVCXAP-UHFFFAOYSA-N 438.037 5.576 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)cc1 100466728 JHSCESUUCCGMIT-UHFFFAOYSA-N 436.596 6.807 30 10 IKEE CCCCCCCOc1c(Cl)cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl 101138298 VSMNMQUGFIGTMR-UHFFFAOYSA-N 425.312 6.503 30 10 IKEE Clc1ccc(CSc2nncn2/N=C\c2c(Cl)ccc(Cl)c2Cl)cc1 138692563 OOXKEAGHDRJVFW-HOEBFWFUSA-N 432.163 6.066 30 10 IKEE CCOc1cc(/C=N\S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1 169908345 OOIFXMAILMSLNE-IWIPYMOSSA-N 429.925 5.126 30 10 IKEE COc1cc(/C=N\Nc2nc(-c3ccccc3)cs2)ccc1OCc1cc(C)ccc1C 169940813 DGKDXBVCYHXGTJ-DICXZTSXSA-N 443.572 6.461 30 10 IKEE CCN(Cc1ccccc1)c1ccc(/C=N\Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1 169941183 CAOAKNDVHHPNIP-QRQIAZFYSA-N 440.616 6.899 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2cccc(C)c2)cc1 169968675 BRHASORRBOZJED-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2cccc(C)c2)c1 169969660 JNZWXEKGGUYEPM-QHCPKHFHSA-N 447.918 5.830 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1cccc(OC(C)C)c1 169979532 OFYXRTXBBFPDNF-XMMPIXPASA-N 443.499 5.265 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccccn2)cc1 169992006 HJFOUBMEEGAHDS-VWLOTQADSA-N 426.516 5.307 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@H]2c2ccccn2)ccc1F 169995984 PBJHJZMAFVPXRC-DEOSSOPVSA-N 438.458 5.465 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@H]2c2ccccn2)ccc1F 169996879 DUNLARLNMPIJRI-NRFANRHFSA-N 436.870 5.274 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2ccncc2)cc1C 170018791 GEOKMROOVYBPLF-QFIPXVFZSA-N 432.907 5.443 30 10 IKEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2ccccc2)cc1 170054035 FMEFGZYZLCJMPF-VWLOTQADSA-N 441.527 5.133 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)c(Cl)c3)[C@H]2c2ccco2)cc1 170092143 GZGZENGSFZGRPV-NRFANRHFSA-N 437.879 5.287 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccccn1 170169211 IAUPCBSCHJSDRM-HSZRJFAPSA-N 444.506 5.610 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccn2)cc1C(C)C 170173076 DNLLRBJMADHOLI-DEOSSOPVSA-N 442.515 5.305 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1cccc2ccccc12 170221223 ILNWXJBZPYKXTK-VOIUYBSRSA-N 427.500 5.152 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1ccc(Cl)cc1 170236488 DHOCFCUBVKSOPG-OAQYLSRUSA-N 425.956 5.934 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccc(O)c2)cc1Cl 170259504 PKQWTUOBIZSZDG-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2ccco2)cc1C 170284073 WGYDRTAWUVJWGY-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2ccco2)cc1C 170285098 WXDQIANZAXVREX-HSZRJFAPSA-N 429.472 5.004 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2sccc2C)cc1C 170314371 ABLCOFZWESGVGG-NRFANRHFSA-N 433.529 5.465 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2sccc2C)cc1 170315525 XNQPRFBOUKCMAP-QFIPXVFZSA-N 447.556 5.937 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cccc(C)c2)cc1OC 170362932 UBOZYLSADQYDJP-JOCHJYFZSA-N 449.528 5.247 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2c[nH]c3ccccc23)cc1Cl 170384337 VMNPDSSGWJGNPE-NRFANRHFSA-N 448.931 5.974 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2cccc(Oc3ccccc3)c2)c1 170456150 UOCKUJWPVJLBMK-DEOSSOPVSA-N 441.527 6.303 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc(Oc2ccccc2)c1 170457006 QDBSDPBLKADELQ-RUZDIDTESA-N 442.515 5.385 30 10 IKEE COc1ccc2nc(N3C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]3c3cccc(C)c3)sc2c1 170461928 JLQLMDLPFMMNNL-IBGZPJMESA-N 436.533 5.129 30 10 IKEE CSc1nc(Nc2ccc(Br)cc2C)c(C#N)c(-c2cccc(Cl)c2)n1 244218605 VYMOGCMBURWTMX-UHFFFAOYSA-N 445.773 6.205 30 10 IKEE Cc1ccccc1N=C1S/C(=C/c2ccc3c(c2)OCO3)C(=O)N1c1ccccc1C 252603614 FSNQOLKXMCXULO-YZWRYSEFSA-N 428.513 5.841 30 10 IKEE Cc1ccc(N=C2/C(=C/Nc3ccc(C)cc3)CCc3c2c(C)nn3-c2ccccn2)cc1 252624763 PUPPBZVRWXBMAI-MUJIUASLSA-N 433.559 6.256 30 10 IKEE Cc1cccc(N=Cc2c(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc3ccccc23)c1 254403673 TXNFZBHCIPYLBO-UHFFFAOYSA-N 446.484 5.575 30 10 IKEE CCCCCCCCC[C@@H](NC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 406739870 ZMCYAMHARFILEP-LJQANCHMSA-N 441.454 7.197 30 10 IKEE C=C(COCC)[C@@H](NCCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 407084254 DKSDCJRWGBTADA-GOSISDBHSA-N 427.383 5.430 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(OC)c(Cl)c2)c1 526489044 OSERSDBEDHWILQ-HSZRJFAPSA-N 446.890 5.286 30 10 IKEE CCc1nnc(SCc2ccccc2)n1/N=C\c1ccccc1OCc1ccc(C)cc1 526799432 JEAGNHWJUZTBHM-PKAZHMFMSA-N 442.588 5.902 30 10 IKEE CCOc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 526803343 YMOZUDBKYBWZMX-PKAZHMFMSA-N 446.551 5.581 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1cc(Cl)c(O)c(Cl)c1O 526806849 XQRLIJODNLTTBI-YXSASFKJSA-N 443.743 5.132 30 10 IKEE COc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2cc(C)cc(C)c2)cc1 526809909 XKBPSELYCPZWMO-PKAZHMFMSA-N 442.588 5.669 30 10 IKEE Cc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccc(Cl)cc1Cl 526816711 CFKBQDARKGJMTI-UYOCIXKTSA-N 429.735 5.860 30 10 IKEE COc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccccc2Cl)cc1 526817270 QMBATGPYWQPSFO-QQXSKIMKSA-N 448.979 5.705 30 10 IKEE CCc1ccccc1N(Cc1ccc(C#N)cc1)S(=O)(=O)c1cc(Cl)ccc1OC 586255684 BUTXKQCXHVADTR-UHFFFAOYSA-N 440.952 5.178 30 10 IKEE CCN(CC)c1ccc(N=c2c(CCC(C)C)c(C)c(C#N)c3[nH]c4ccccc4n23)cc1 607736513 IAYJTHPNZWDPFO-UHFFFAOYSA-N 439.607 6.268 30 10 IKEE CCCCCCCCCCSc1ccccc1COC(=O)Cn1cnc2cncnc21 642775642 FJQGYKIRZCCIMN-UHFFFAOYSA-N 440.613 5.803 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]([C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)C1 698884532 LCOVBAHWDNCIOL-WAIKUNEKSA-N 449.979 5.621 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)CC1(C)C 698886162 SCVUFAVOZVHXOZ-DEOSSOPVSA-N 447.551 5.639 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@H](C#N)c1cccc(Cl)c1Br 719727613 ZIVNDTNOFNWCPK-INIZCTEOSA-N 427.770 6.237 30 10 IKEE Cc1cc(C=Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(I)cc1 1084135576 DKFXMEFSOQGJLG-UHFFFAOYSA-N 445.260 5.358 30 10 IKEE COc1cc(C=Nc2cc(C(=O)O)ccc2Cl)ccc1OCc1cccc(C(=O)O)c1 1084317971 XVTFSOADJLFLTI-UHFFFAOYSA-N 439.851 5.075 30 10 IKEE CC/N=C1/S/C(=C/c2ccc(Br)cc2)C(=O)N1N=Cc1ccc(C)cc1 1084437708 UVFWNRVHTCTAGT-QTIXBKCSSA-N 428.355 5.084 30 10 IKEE CCOc1cc(C=Nc2nc3c(s2)Cc2cc(OC)ccc2-3)cc(Br)c1O 1084527216 GPRTVQKJQYWQKK-UHFFFAOYSA-N 445.338 5.340 30 10 IKEE O=C1C(=Nc2ccc(F)cc2)c2ccccc2N1CN(C1CCCCC1)C1CCCCC1 1084634004 ZQKFZXWDKYYPBB-UHFFFAOYSA-N 433.571 6.218 30 10 IKEE CC(C)(C)C(=O)Nc1ccc(C#Cc2ccc(C#Cc3cc4ccccc4s3)s2)cc1 1615217637 YHUMFKBYKBXXJE-UHFFFAOYSA-N 439.605 6.747 30 10 IKEE O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC(F)(F)Sc1ccccc1 1616172420 WDKAOLVGORVIPS-UHFFFAOYSA-N 430.320 6.188 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)SC1=Nc1ccccn1 1772732407 WTZVEFQYFOOPPW-HOMYTQLHSA-N 434.477 5.182 30 10 IKEE N#Cc1cccc(Cn2c(-c3ccncc3)nc3scc(-c4cccs4)c3c2=O)c1 1857805079 ZVFQUOIDEANGFR-UHFFFAOYSA-N 426.526 5.168 30 10 IKEE CC(C)COc1ccc(NC(=O)Oc2ccc(CNC(=O)c3cccc(C#N)c3)cc2)cc1 1858912920 HSAMWOZLBUQPLE-UHFFFAOYSA-N 443.503 5.134 30 10 IKEE Cc1nn(-c2ccc(Cl)cc2)c2ncc(C(=O)Nc3sc4c(c3C#N)CCCC4)cc12 1859743109 YUWCGDJLVKBFDD-UHFFFAOYSA-N 447.951 5.447 30 10 IKEE N#Cc1cccc(C(=O)Nc2ccc(Cl)c(NC(=O)c3ccc(F)c(F)c3F)c2)c1 1860461515 DVUOAHSPYFSDEY-UHFFFAOYSA-N 429.785 5.134 30 10 IKEE C[C@H]1CCc2c(sc(NC(=O)CSc3nc(-c4ccc(F)cc4)cs3)c2C#N)C1 1860798182 CMGMYOOFMKZJNI-LBPRGKRZSA-N 443.594 5.738 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)[C@H](C)Oc1ccc(Cl)cc1 1861670404 OTQCKEDOEMLLGM-RXVVDRJESA-N 425.013 5.259 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(OCCC)cc1 1862386440 NKQUEQRXBOPEDY-FQEVSTJZSA-N 446.330 5.547 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2cc(C)ccc2C)cc1 1862412919 QJNLXQJOULOBPF-XMMPIXPASA-N 447.481 5.669 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1c(Cl)cccc1Cl 1862452202 XDFLVLOJNFJCGD-ADLMAVQZSA-N 438.738 6.024 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(Br)cc1 1862453330 XKALPNPEAANAFG-KRWDZBQOSA-N 434.717 5.091 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@@H]2c2cccc(C)c2)cc1 1862475158 FODXAGYUTUHTMJ-HSZRJFAPSA-N 431.919 5.735 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 1862479683 NLBRUSHKKGJDBJ-RZPHLTDDSA-N 445.603 6.450 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2C(C)C)cc1 1862510689 CEQUPUDPVMLJQA-QHCPKHFHSA-N 439.527 5.690 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2cccc(F)c2)cc1 1862517902 XRUJBQMTSMRQDG-DEOSSOPVSA-N 445.490 5.393 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(CC)cc2)cc1 1862530166 NQPGZAKNKQCSFR-SANMLTNESA-N 439.555 5.632 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 1862535935 NCCGFUKWHUVKJA-XMMPIXPASA-N 445.946 5.723 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cccc(OC)c1 1862548746 ZIDDJOWCNTWXKM-RUZDIDTESA-N 447.575 5.733 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCC(C)C)c1 1862654718 QLSKZGSHJFKCCG-RUZDIDTESA-N 443.543 5.863 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccc2ccccc12 1862666696 KEYRXNTWOSTDGY-AVRWGWEMSA-N 427.544 6.340 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CCCC2)c1 1862669572 ZIPZDSRXIDCQET-RUZDIDTESA-N 447.575 6.120 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCC)cc1 1862671254 NLEAOLJOAQSVCE-RUZDIDTESA-N 449.591 6.367 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2ccc(F)cc2)cc1 1862688718 ZEXBNQLFFCMEEC-DEOSSOPVSA-N 445.490 5.045 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@H]2c2ccccc2)c1 1862698799 NNMVPEAQZNINGH-QFIPXVFZSA-N 433.891 5.127 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2Cc2ccccn2)cc1 1862712879 BPBBEHMBQYGLQR-VWLOTQADSA-N 434.495 5.322 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1F 1862714974 IWWUCVHUSFVJRF-HGMMTPDKSA-N 443.518 6.136 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1ccc(Br)cc1)c1ccc2ccccc2c1 1862719992 VMASTMNJSLCDGE-NRFANRHFSA-N 448.316 5.343 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(C(=O)OC)cc1 1862720105 SKHFAEPYVXZGAN-MWTRTKDXSA-N 443.499 5.003 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2CC)c1 1862727042 VNTMWJQVRGSAFK-DEOSSOPVSA-N 427.500 5.351 30 10 IKEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccccc2)cc1 1862730901 HWEOWQRTGVJSIY-XMMPIXPASA-N 435.564 6.023 30 10 IKEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@@H]2c2ccc(C)cc2)cc1 1862731659 YZTLDHFRBRERLN-XMMPIXPASA-N 435.564 5.942 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3OC(C)C)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862896241 DPHKPWKZLSTBHI-UHFFFAOYSA-N 437.499 5.051 30 10 IKEE CC(C)c1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccccc3F)C2=O)cc1 1862926034 RWNSNEITPPFUJF-UHFFFAOYSA-N 425.463 5.217 30 10 IKEE CCOc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccccc3Cl)C2=O)cc1 1863068460 TYCZNPAXDRHYQM-UHFFFAOYSA-N 443.890 5.007 30 10 IKEE Cc1cccc(N(Cc2cccnc2)c2cc(Nc3cccc(C#N)c3)nc(C(C)C)n2)c1 1868221351 KBQQUIIMIKQHGZ-UHFFFAOYSA-N 434.547 6.257 30 10 IKEE COCCc1nc(Nc2cccc(C#N)c2)cc(N2CCC[C@H]2Cc2ccc(Cl)cc2)n1 1868247297 ZMZXGQQOLZAUSV-QFIPXVFZSA-N 447.970 5.146 30 10 IKEE COc1ccc(N(C)c2cc(Nc3ccc(C#N)cc3)nc(-c3ccccc3)n2)cc1OC 1868377339 ZWMVPGHWOSUXHI-UHFFFAOYSA-N 437.503 5.544 30 10 IKEE COc1ccc([C@H]2c3ccccc3CCN2c2cc(Nc3ccccc3C#N)nc(C)n2)cc1 1868490263 BRLOHNAXXRXKLT-NDEPHWFRSA-N 447.542 5.561 30 10 IKEE C=CCN(CC=C)c1cc(N2C[C@@H](c3ccccc3)Cc3ccccc32)nc(CCOC)n1 1869114699 LTKWPRAMKOAUHZ-DEOSSOPVSA-N 440.591 5.322 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC(N3CCCCCC3)CC2)nc(-c2ccccc2)n1 1869204555 DOHVGZJOMFWJIW-UHFFFAOYSA-N 431.628 5.167 30 10 IKEE C=CCN(CC=C)c1cc(N2CC(C)(C)c3ccccc32)nc(-c2ccc(Cl)cc2)n1 1869259809 RZDOJSGHSZBPTB-UHFFFAOYSA-N 430.983 6.405 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3ccccc3[C@@H]2c2cccc(OC)c2)nc(C)n1 1869290702 DMXIIHZCJAZILS-MHZLTWQESA-N 426.564 5.124 30 10 IKEE C=CCOc1cn(CCC2=CCCCC2)c(CSc2nc3ccccc3s2)cc1=O 1870246271 WAFBVJMDJPBGRI-UHFFFAOYSA-N 438.618 6.206 30 10 IKEE CCCCCCCCn1cc(OCCCCCCC)c(=O)cc1CN1CCCCCC1 1870412617 FJXVZNYIDAJOGL-UHFFFAOYSA-N 432.693 6.934 30 10 IKEE CCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CNc1ccc2cc[nH]c2c1 1871058775 MAXYOAGOWPFXKG-UHFFFAOYSA-N 435.612 6.647 30 10 IKEE CCCCCCCCn1cc(OCCCC)c(=O)cc1CNc1cccc(NC(C)=O)c1 1871110929 KOLULPJALUBKEU-UHFFFAOYSA-N 441.616 5.958 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc4c3CN(CCCCN(CC)CC)CO4)C2=O)cc1 1871348450 GOOQOWSUKWVQQI-UQQQWYQISA-N 434.580 5.139 30 10 IKEE CCc1ccc([C@@H](C)N2COc3cc(C)c4c(c3C2)O/C(=C\c2cccc(C)c2)C4=O)cc1 1871354146 IOIKWQKQSJTKQR-RWTUPJDWSA-N 439.555 6.395 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(C)c(C)c4)cc(C)c3C2=O)cc1OC 1871372596 AFDOKUIJBSRYGF-CFRMEGHHSA-N 444.483 5.464 30 10 IKEE O=C(Cc1cc(Cl)ccc1Cl)Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O 1871376304 DRDCFQSLWHPNKF-NKVSQWTQSA-N 443.257 5.897 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O)/C(Cl)=C/c1ccccc1 1871377657 WPXQXLLWLYRCTI-FFOWACNVSA-N 437.278 6.142 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(F)c(Cl)c4)cc(C)c3C2=O)o1 1871441378 LPAXREBQTNMZCB-UKWGHVSLSA-N 441.842 5.323 30 10 IKEE C=CCN=c1nc(Nc2ccc(-c3ccccc3C)cc2)[nH]c(N2CCc3ccccc3C2)n1 1871639938 UUMDSHLJWGNRNK-UHFFFAOYSA-N 448.574 5.173 30 10 IKEE C=CCN([C@H](CC)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872451092 SRJOUVIEVWJPHK-JOCHJYFZSA-N 428.598 5.021 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@@H](C#N)C(=O)c3c(F)cccc3Cl)n2)c1 1872781267 QZAAMESBYSRRQW-HNNXBMFYSA-N 444.915 5.890 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)c3ccc4nc(C)c(C)nc4c3)n2)cc1C 1872787599 NIQZSDZOHVHIKU-LJQANCHMSA-N 442.544 5.486 30 10 IKEE CCCCOC(=O)c1ccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)cc2)cc1 1872869853 WNECWMDMSXOUCD-UHFFFAOYSA-N 428.488 5.346 30 10 IKEE CC(=O)Nc1cccc(NC(=O)c2ccc(CSc3nc(C)c(C)c(C)c3C#N)cc2)c1 1872895306 NLYUNDJGKFJXRH-UHFFFAOYSA-N 444.560 5.382 30 10 IKEE CCN1C(=O)C(Nc2ccc(F)cc2)=C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O 1873350267 FJRADLBEXYCCHO-UHFFFAOYSA-N 446.322 5.075 30 10 IKEE CCCCCCCCNC(=O)[C@@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 1873892139 UCTXUWCQIOWCEK-SANMLTNESA-N 446.635 6.216 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3cccc(OC(F)(F)F)c3)c(=O)oc2c1 1873972365 HPCRWWGBFSXDNF-UHFFFAOYSA-N 447.409 5.136 30 10 IKEE O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1874181049 FSPSYCXKBIDDJH-UHFFFAOYSA-N 448.363 6.168 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1cc(C)ccc1O 1874204300 UJGNYOYJXWYYKK-FOKLQQMPSA-N 449.363 5.338 30 10 IKEE CCOc1cccc(/C=N/n2c(Cc3ccc(Br)cc3)nnc2SCC)c1 1874207687 SQQPIPHLQOUJJT-HYARGMPZSA-N 445.386 5.024 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(COc2cc(C)c(Cl)c(C)c2)nnc1SC 1874216833 HNLYDXDMOYHDSI-ZMOGYAJESA-N 442.972 5.296 30 10 IKEE C=CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874245211 YRSDGGREUSUKTH-BUVRLJJBSA-N 437.569 5.106 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874287451 FWVHTEGYNVVQLM-ZXVVBBHZSA-N 438.685 7.200 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCC=C)nnc1C1CCC(CCCC)CC1 1874287543 KMABQGZBNUGVEG-LGUFXXKBSA-N 438.641 6.467 30 10 IKEE Cc1ccc(CCc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccncc2)cc1C 1874331055 RYYBWHRWASSWDU-LQKURTRISA-N 445.567 5.389 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccc(C)c(C)c3)n2/N=C/c2ccco2)c1 1874331129 WSALLWWNGVWYSL-WGOQTCKBSA-N 430.577 5.756 30 10 IKEE CCc1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2F)cc1 1874379617 CFQUXGHCTXMMOL-LQKURTRISA-N 448.542 5.884 30 10 IKEE CCCOc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCC)cc1OCC 1874402835 JOIALXYGVCFUSN-XIEYBQDHSA-N 438.597 5.245 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3)n2/N=C/c2sccc2C)c1 1874402905 OHYKVRNFMDPNGX-WGOQTCKBSA-N 446.645 6.225 30 10 IKEE Cn1cccc1/C=N/n1c(CC(C)(C)C)nnc1SCc1ccc(Cl)c(Cl)c1 1874440568 IPLIJUHMMZDNAF-FSJBWODESA-N 436.412 5.687 30 10 IKEE Cc1ccccc1CSc1nnc([C@@H]2CCCO2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874444277 VMLUALCYAHYWGM-OGBFJMLUSA-N 447.391 5.919 30 10 IKEE CC(C)(C)c1nnc(SCc2ccccc2)n1/N=C/c1cccc(Br)c1 1874481946 QXHIUKADBFURKA-LPYMAVHISA-N 429.387 5.513 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(F)cc1F 1874517394 RIFUTUQHTUKCMO-PGGKNCGUSA-N 441.334 6.161 30 10 IKEE CCCOc1ccc(/C=N/n2c(C)nnc2SCc2cc(C)ccc2C)cc1OCC 1874531743 YPDVNYIPIPUZDX-MFKUBSTISA-N 438.597 5.565 30 10 IKEE CCCOc1c(/C=N/n2c(C)nnc2SCc2cccc(Cl)c2)cccc1OC 1874535818 YCMMGUSAHCPSIU-YDZHTSKRSA-N 430.961 5.212 30 10 IKEE CCc1ccccc1NC(=O)COc1ccccc1/C=C/C(=O)c1ccc2ccccc2c1 1874571189 AIXFVEWJFLUWHI-ISLYRVAYSA-N 435.523 6.316 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Br)ccc2OCc2cccc(F)c2)cc1 1874574798 GYIMXZBGARIVRU-YRNVUSSQSA-N 441.296 6.072 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(F)cc2F)cc1 1874576376 KJHTWXDRAWQMKT-ONNFQVAWSA-N 441.861 5.840 30 10 IKEE C[C@H](NC(=O)COc1ccccc1/C=C/C(=O)c1cccc2ccccc12)c1ccccc1 1874582593 WCFKUVHSJZAESJ-KCQYIYACSA-N 435.523 5.992 30 10 IKEE CCCNC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(OC)c2ccccc12 1874591973 LOZLXESLNAFBFU-DHZHZOJOSA-N 437.923 5.303 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1OCc1cccc(F)c1 1874594811 DXGJQSPKTLLPFZ-CSKARUKUSA-N 441.296 6.072 30 10 IKEE CCCOc1c(OC)ccc(/C=C/C(=O)c2ccc(OC)cc2OC)c1Br 1874598727 BAEKRAJFSCMTEE-UXBLZVDNSA-N 435.314 5.160 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)cc([N+](=O)[O-])c1OCc1ccccc1C 1874605514 SCLFQKLZUCPHRT-OUKQBFOZSA-N 447.487 5.786 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(OC)c1OCc1cc(C)ccc1C 1874613478 WNBGXVSMGUWHMB-OUKQBFOZSA-N 446.974 7.169 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OCc2ccc(C)cc2)c(Cl)c1 1874624812 WXBPMYOEGZTZTA-JLHYYAGUSA-N 448.990 7.430 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)cc(OC)c1OCc1ccccc1 1874636245 QYBLEHRWHZOARI-ACCUITESSA-N 448.946 6.561 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC(=O)C3(c4ccc5c(c4)OCO5)CC3)c2)cc1 1874694826 WAIMQZAIZCGEJZ-XYOKQWHBSA-N 440.495 5.511 30 10 IKEE COc1ccccc1CCC(=O)Oc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC 1874698931 VNHOKYADGVDTIK-NTCAYCPXSA-N 446.499 5.147 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 1874701290 KVLKFXGHNZJLHD-GIJQJNRQSA-N 428.528 6.498 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)C3(c4ccc5c(c4)OCO5)CC3)c2)c(C)c1 1874702021 FYHQKKOCCRWLTQ-JXMROGBWSA-N 440.495 5.565 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(/C=C/C(=O)c3cc(C)ccc3C)ccc2OC)c1 1874703134 ACGKFIYRRNWGLM-ACCUITESSA-N 430.500 5.826 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OC(=O)COc1cccc(C)c1C 1874709324 AWDKFOCHEPGPCS-NTUHNPAUSA-N 434.463 5.332 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(C)cc3)c2)c(OCC)c1 1874714912 TYMQNNZOTBOOBV-LFIBNONCSA-N 430.500 5.908 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3C)c(Cl)c2)cc1 1875106715 HUNAQSUSCMEDMH-FOWTUZBSSA-N 432.947 7.106 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3Cl)cc2)c1 1875111278 CANNCXHKZYQWMT-DTQAZKPQSA-N 434.919 6.309 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@H]2CCCO2)c(Br)c1)c1cccc(Cl)c1 1875121583 XCKIBAKHHBLJPN-ZLQZBKBYSA-N 435.701 5.083 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2)c(OC)c1 1875130969 AKNXKQNOHRKWMZ-RIYZIHGNSA-N 430.500 5.365 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)c(C)c3)c([N+](=O)[O-])c2)cc1 1875135798 IGHKTCGJVBVBSL-IZZDOVSWSA-N 433.435 5.395 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)c1ccc2c(c1)OCO2 1875150333 IBFYIFJNNHLBFS-YCRREMRBSA-N 441.266 5.837 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1Cl 1875154041 LGNFLUXPENIZLM-FYWRMAATSA-N 442.898 6.617 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])cc1 1875159686 JXAQGBYDCCIBMZ-YIXHJXPBSA-N 449.434 5.177 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2[N+](=O)[O-])cc1 1875174663 CJLPGBODXKWUDU-MDWZMJQESA-N 429.472 5.889 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c(Cl)c2)c(C)c1 1875182762 UHTZNSVRDPTQEG-VQHVLOKHSA-N 449.890 6.289 30 10 IKEE O=C(Cc1cc(C(F)(F)F)ccc1F)Nc1cccc(-c2ccc(C(F)(F)F)cc2)c1 1890676502 OHEBOWIBOFBZPN-UHFFFAOYSA-N 441.346 6.712 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](NC(=O)OC(C)(C)C)C1CC(F)(F)C1 1922087560 ZKSRTCQMJKIRAB-NHCUHLMSSA-N 438.559 5.066 30 10 IKEE N#Cc1cccc([C@@H](CCCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 1951532805 QBNTVIPOSRVRPY-RUZDIDTESA-N 440.499 5.393 30 10 IKEE CC[C@H]1N(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1991578994 MSAJRQKDCUNOJE-VGOFRKELSA-N 435.952 5.373 30 10 IKEE CC(C)(C)OC(=O)N1CC(C)(C)[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 1996508491 UVOANYZQUDIWHO-QHCPKHFHSA-N 449.979 5.621 30 10 IKEE C=CCCCCCC[C@@H](O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2026023717 JDHHDSSGNKGRLR-ZEQKJWHPSA-N 431.617 5.718 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CN(C(=O)OC(C)(C)C)CC2(CC2)C1 2037318075 MIRMSETXICZEFF-RUZDIDTESA-N 441.572 5.420 30 10 IKEE CC[C@@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)CN1C(=O)OC(C)(C)C 2040670193 GHVVZZIYHBBIGV-HOYKHHGWSA-N 447.551 5.639 30 10 IKEE ON=Cc1c(C2CC2)nn([C@H](c2ccc(C3CCC3)cc2)C2CCC2)c1Br 2079952502 JIHWHAWVRQRVAQ-NRFANRHFSA-N 428.374 5.988 30 10 IKEE Cc1ccc([C@H](n2nc(C(F)F)c(C=NO)c2Br)C(C)(C)C)c(F)c1F 2079958996 XKRNCNFCQDLSMB-AWEZNQCLSA-N 436.247 5.613 30 10 IKEE Cc1ccc(-c2c(C(F)(F)F)nn(C(F)(F)F)c2I)c(F)c1 2080702579 GWBTVHQTZIKCPV-UHFFFAOYSA-N 438.084 5.097 30 10 IKEE CCCCCC#CC[C@@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)NCCC 2083432679 CFPXOVOJEVYCSK-VWLOTQADSA-N 443.676 5.355 30 10 IKEE C=CCC[C@H](C)[C@H](NCCC)c1ccc(I)c(Br)c1 2102109699 AUJZSCIFMYDVQX-LRDDRELGSA-N 436.175 5.697 30 10 IKEE CCCC1(CNc2ccc(C#N)cc2Br)CCN(C(=O)OC(C)(C)C)CC1 2162415784 URFQULRAYSRHLT-UHFFFAOYSA-N 436.394 5.550 30 10 IKEE CN(C(=O)OC(C)(C)C)[C@@H](CNc1cc(Br)ccc1C#N)c1ccccc1 2175022770 OXUAJWFREWUHEP-IBGZPJMESA-N 430.346 5.341 30 10 IKEE C[C@](C#N)(c1ccccc1)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2191345672 FKBSKWOLTPRWEN-IHLOFXLRSA-N 449.550 6.359 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)[C@H](CCC(C)C)NC(=O)OC(C)(C)C 2235732493 SHVXAXQWTAOELV-PMACEKPBSA-N 437.422 5.108 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(C)ccc1Br 2236339104 NXXZSVOHRBCEJG-SFHVURJKSA-N 431.330 5.773 30 10 IKEE CCCCCCCC[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2240625006 DWBIDPXPBNSJDU-QFIPXVFZSA-N 437.422 7.223 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Br)ccc1[C@H](N)C#Cc1ccccc1Cl 2277841746 RGEBSEWYYYKVKH-QGZVFWFLSA-N 435.749 5.501 30 10 IKEE COc1cc(O)ccc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2282819069 MDQVIZHNYNNYDL-QGZVFWFLSA-N 433.302 5.170 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(F)cc(Br)c1F 2288348933 KENIMVFQHLLKJV-SJLPKXTDSA-N 447.364 5.628 30 10 IKEE CN[C@@H](C#Cc1cccc(Br)c1)[C@@H](CCC(C)(C)C)NC(=O)OC(C)(C)C 2296219323 MTIPJTIYKGMVGD-RBUKOAKNSA-N 437.422 5.108 30 10 IKEE CC(C)c1ccc(C=C2Oc3cc(OCc4ccc(Cl)cc4Cl)ccc3C2=O)cc1 2296867482 SFCXPZLWKWLWTE-UHFFFAOYSA-N 439.338 7.312 30 10 IKEE Cc1nc(N2C(=O)C(=O)C(=C(O)c3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)sc1C 2296930207 GYBJYOPLFFSZRR-GOSISDBHSA-N 442.899 5.179 30 10 IKEE CCCCCCCCOc1ccc(C=C2N=C(c3ccc(Cl)cc3Cl)OC2=O)cc1 2297411989 JDEQYODCVVCOEX-UHFFFAOYSA-N 446.374 7.077 30 10 IKEE CCCCCCCCOc1ccc(C=C2N=C(C=Cc3ccc(Cl)cc3)OC2=O)cc1 2297413045 NJLKJPDFTKJZSY-UHFFFAOYSA-N 437.967 7.089 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 2302797067 XKJASCHSVODGCJ-IPMKNSEASA-N 449.979 5.667 30 10 IKEE CC(C)(C)[C@H]1CCc2c(sc(NC(=O)C=Cc3ccc(Cl)cc3Cl)c2C#N)C1 2313513840 SQNXLBNMMMSKFA-AWEZNQCLSA-N 433.404 6.729 30 10 IKEE COC1(C#CC(=O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCC1 2315732766 WDORGXWEBQPYMK-UHFFFAOYSA-N 426.512 5.600 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 2318878233 USTYXWTYHOBBFY-JENIJYKNSA-N 445.560 5.022 30 10 IKEE Cc1c(OCc2ccc(Cl)cc2Cl)ccc2c1OC(=Cc1ccccc1Cl)C2=O 2321784486 NYAGVYFUTWJFJG-UHFFFAOYSA-N 445.729 7.150 30 10 IKEE Cc1cc(OCc2ccc(F)cc2)cc2c1C(=O)C(=Cc1cccc(Br)c1)O2 2321799259 HERPTCJNMNNEGK-UHFFFAOYSA-N 439.280 6.092 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccccc1F)O3)CN(CCc1ccc(F)cc1)CO2 2321937105 YNGNPRRQSWWVKC-UHFFFAOYSA-N 433.454 5.284 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O3)CN(C[C@@H]1CCCO1)CO2 2321961923 KZHWSHPCOVEKEX-FQEVSTJZSA-N 433.548 5.240 30 10 IKEE COc1cccc(C=CC(=O)c2cc(C)ccc2C)c1OCC(=O)Nc1ccc(F)cc1 2322624120 SWWZZDWANZIDJR-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccccc1OCC(=O)Nc1cccc(C)c1C 2322638157 HGFUEFWVIROAPS-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE Cc1cc(OC(=O)Cc2ccccc2)cc2c1C(=O)C(=Cc1ccccc1Br)O2 2322884531 DPVVKIBJWFIJDI-UHFFFAOYSA-N 449.300 5.522 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(CC)cc2)cc(OC)c1OCC(=O)N(CC)CC 2323485369 XIFMACFUBJXSQI-UHFFFAOYSA-N 435.564 5.129 30 10 IKEE CCCCCCOc1ccc(C=Nn2c(S)nnc2CCc2ccccc2)cc1OC 2323510674 CFARYDYIWWWTCH-UHFFFAOYSA-N 438.597 5.202 30 10 IKEE CCCCC1CCC(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2C)C3=O)CC1 2323653167 NRCPJCOSNRDYHC-UHFFFAOYSA-N 432.560 6.822 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1F 2323721284 GNHFSUDGFSFPSF-UHFFFAOYSA-N 429.806 6.002 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1Cl 2323792048 DKYSXVARAWFJDZ-UHFFFAOYSA-N 427.327 6.867 30 10 IKEE CCCCCOc1ccc(C=NNc2nc(-c3ccc(OC)cc3)cs2)cc1OCC 2323854571 VZBKTFHJPUIROA-UHFFFAOYSA-N 439.581 6.232 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)cc1 2323887439 AYMRGIVUTLRNKN-UHFFFAOYSA-N 446.430 5.285 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OCc1ccc(C(=O)OC)o1 2323985153 RYZHGSRSGZWAAH-UHFFFAOYSA-N 438.451 5.388 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)cc(OC)c1OCc1cccc(C)c1 2324035475 IBIZVPXIAADWOH-UHFFFAOYSA-N 446.499 5.259 30 10 IKEE N#C[C@H](C(=O)C(=Cc1ccccc1)c1ccccc1)c1nc(-c2c[nH]c3ccccc23)cs1 2324672576 AGDMWMDRPFCNJF-HSZRJFAPSA-N 445.547 6.708 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2)Oc2cc(OCCOc3cccc4ccccc34)ccc21 2324693739 OHDOHWVPHMJVRL-UHFFFAOYSA-N 442.898 6.567 30 10 IKEE Cc1cc(OCc2cccc(Oc3ccccc3)c2)cc2c1C(=O)C(=Cc1ccccc1)O2 2325348322 QEZVCUKODXNCTG-UHFFFAOYSA-N 434.491 6.983 30 10 IKEE CCN(CC)c1ccc(C=Nn2cnnc2SCc2c(Cl)cccc2Cl)cc1 2325659394 MRWNNCKENLJPTD-UHFFFAOYSA-N 434.396 5.606 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cccc4ccccc34)c2)cc1OC 2325703542 YRMSCYRNXCDMHV-UHFFFAOYSA-N 438.479 5.972 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccc(CC)cc4)c3C)C2=O)cc1 2325723041 UTOYYMOIAKIVDF-UHFFFAOYSA-N 441.527 5.754 30 10 IKEE C[C@H](Oc1ccc(Cl)cc1)C(=O)Oc1cccc(C=CC(=O)c2ccc(F)cc2F)c1 2325726025 QVSILHCEAIXVSL-HNNXBMFYSA-N 442.845 5.887 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCCC)n1N=Cc1ccc(Cl)cc1 2326477237 NPGRBSWWUGZDIF-UHFFFAOYSA-N 442.972 5.460 30 10 IKEE CCCc1ccc(OCc2nnc(SC)n2N=Cc2c(Cl)cccc2Cl)cc1 2327320705 LISPGRKLSGDKEN-UHFFFAOYSA-N 435.380 5.721 30 10 IKEE CCOc1ccc(C=Nn2c(Cc3cccc4ccccc34)nnc2SC)cc1OCC 2327705040 OSTIJTYFLMKIKX-UHFFFAOYSA-N 446.576 5.424 30 10 IKEE CCCCC1CCC(c2nnc(SCCCO)n2N=Cc2ccc(CC)cc2)CC1 2328194027 XROBDTCSRHNMBY-UHFFFAOYSA-N 428.646 5.661 30 10 IKEE CCCSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1ccc(O)c(OCC)c1 2328964762 BTYOQJANOJFALQ-UHFFFAOYSA-N 438.597 5.169 30 10 IKEE C=CCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc(Cl)cc1Cl 2329112715 VXLNCFXLTMZWAN-UHFFFAOYSA-N 437.783 5.989 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2N=Cc2ccco2)cc1C 2329446483 RYRRCUQRNUMNNJ-UHFFFAOYSA-N 436.968 5.907 30 10 IKEE Fc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCCc2ccccc2)c(F)c1 2330199783 FSLHXHPUFAUWEA-UHFFFAOYSA-N 448.542 5.559 30 10 IKEE C(=Nn1c(Cc2cccs2)nnc1SCc1cccc2ccccc12)c1ccccc1 2330421844 GLEFODXPQDQZGP-UHFFFAOYSA-N 440.597 6.258 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2N=Cc2ccccc2)cc1 2330546136 ANWTUIDDRLGWMP-UHFFFAOYSA-N 447.589 5.182 30 10 IKEE C=C(C)CSc1nnc(-c2cccs2)n1N=Cc1cccc(OCc2ccccc2)c1 2330578467 UMZJZNOXWWAOJR-UHFFFAOYSA-N 446.601 6.136 30 10 IKEE Clc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2-c2cccs2)cc1 2330584219 GBLHSZZLJNJCLL-UHFFFAOYSA-N 445.400 6.488 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@H]2C[C@H]2c2ccccc2Cl)cc1)c1cccc([N+](=O)[O-])c1 2330622006 WPKANUCYCOIIIX-VXKWHMMOSA-N 447.874 5.853 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(Cl)c1OC(=O)c1ccncc1 2330676938 YJEFNKKPPCKWBK-UHFFFAOYSA-N 447.918 5.738 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2)ccc1OC(=O)c1ccccc1C 2330874561 ULEZSYAASFANAI-UHFFFAOYSA-N 430.500 5.826 30 10 IKEE Cc1ccccc1CSc1nnc([C@H]2CCCO2)n1N=Cc1ccc(Cl)cc1Cl 2330894639 SKNWAVXTHOXUJN-LJQANCHMSA-N 447.391 5.919 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@@H]3CCCO3)n2N=Cc2cccc3ccccc23)c1 2330961591 RMAMLNRHXJATGJ-DEOSSOPVSA-N 442.588 6.074 30 10 IKEE COC(=O)c1ccc(CSc2nnc(C3CCCC3)n2N=Cc2cccc(Cl)c2)o1 2331066018 FMQJNGJXACYCOY-UHFFFAOYSA-N 444.944 5.143 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2ccc(Cl)c(Cl)c2)nnc1C1CCCC1 2331093972 WMWRGIZTOJZYED-UHFFFAOYSA-N 445.419 6.725 30 10 IKEE C=CCSc1nnc(C(F)(F)F)n1N=Cc1ccc(N(CC)Cc2ccccc2)cc1 2331142732 DLVLKUSVGFQRNC-UHFFFAOYSA-N 445.514 5.484 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)c1[nH]c2ccc(C)cc2c1C 2331180324 ZCZBWAAEJIUWHV-UHFFFAOYSA-N 439.511 6.299 30 10 IKEE CCOc1c(C=Nn2c(SCc3ccccc3F)nnc2C(C)(C)C)cccc1OC 2331396955 RDGDQZYANSUOED-UHFFFAOYSA-N 442.560 5.297 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(OCC(C)C)cc3)cc2)cc1F 2331451394 YWBXXHYBAUCBJO-UHFFFAOYSA-N 448.490 5.984 30 10 IKEE CCCCCCOc1ccc(C=Nn2c(CC(C)C)nnc2SCCC)cc1OC 2331463610 VEDUBMRZVFKRCS-UHFFFAOYSA-N 432.634 5.829 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cccc4ccccc34)cc2Cl)cc1 2331473310 YBEJWSDCSDDVFJ-UHFFFAOYSA-N 440.926 7.171 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)Oc3ccc(Cl)cc3)cc2)cc1 2331489919 LAJRXVNYJVKUSM-LJQANCHMSA-N 448.946 6.732 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(N(C)C)cc3)cc2)c(C)c1C 2331612310 DXSLYFVBHFKTMI-UHFFFAOYSA-N 429.516 5.493 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1OC(=O)c1ccccn1 2331640679 NWMRNRSKQIFKEP-UHFFFAOYSA-N 449.934 6.093 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3)c([N+](=O)[O-])c2)c1C 2331648898 WCVLOJSCDYFMFR-UHFFFAOYSA-N 443.499 5.873 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc(Cl)cc1 2331665066 HTALMDLJOCMNEJ-UHFFFAOYSA-N 439.799 6.365 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccco2)c([N+](=O)[O-])c1 2331747140 WMIFCFGSARXFMF-UHFFFAOYSA-N 441.823 5.274 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc(C=CC(=O)c3c(C)cc(C)cc3C)cc2)c1 2331762773 MUIMSSAGJNVPEZ-UHFFFAOYSA-N 430.500 5.744 30 10 IKEE CC(C)(C)c1cccc(-n2nnc(C#N)c2NC(=O)C=Cc2ccc(Cl)cc2Cl)c1 2332187681 ZAYVNLUICQMUEY-UHFFFAOYSA-N 440.334 5.395 30 10 IKEE COC1(C#C[C@H](N)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCCC1 2338298804 XBETYVLXKBASBV-SANMLTNESA-N 441.571 5.807 30 10 IKEE Cc1cccc(NC(=O)OC(C)(C)C)c1C(=O)N1CC[C@@](C)(B2OC(C)(C)C(C)(C)O2)C1 2342478221 UDEZNGSZDZAYIM-XMMPIXPASA-N 444.381 5.040 30 10 IKEE C=CC[C@@H]1CCCCN(Cc2ccc(I)c(Br)c2)C1 2349780747 IKZJODFPYYAWLN-CYBMUJFWSA-N 434.159 5.232 30 10 IKEE C=CCCCCCC[C@H](OCCN)c1sc(Cl)cc1I 2366681606 JBDMVFVTPQUXFW-ZDUSSCGKSA-N 427.779 5.549 30 10 IKEE C=CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCc2ccccc2)c1 2380545 YXNKOSIZAVHBPI-RUZDIDTESA-N 437.495 5.146 30 10 IKEE O=C(Nc1ccc(Cl)c(Cl)c1)N1C(/N=C(\O)c2ccccc2)=N[C@H]2CCCC[C@H]21 17097382 RGKZSIHTECTEAU-ZWKOTPCHSA-N 431.323 5.513 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(O)cc2)cc1 20882746 SBPCEQFWRGDIGQ-NGOKVRLYSA-N 440.543 6.161 30 10 IKEE Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1[N+](=O)[O-] 21243427 BORALWHZHFQPMK-GYCJOSAFSA-N 431.517 5.944 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc21 22509652 UAVFGGFOZNVOIP-UHFFFAOYSA-N 434.323 5.575 30 10 IKEE O=C(/C=C\c1ccccc1[N+](=O)[O-])Oc1ccccc1/C=C/C(=O)c1cc2ccccc2o1 33376027 LFWRPHQHEBULBX-ZNOBWPMYSA-N 439.423 5.856 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)C)cc2)c1 33697724 UREMOTCZBAASEW-DEOSSOPVSA-N 429.516 5.798 30 10 IKEE Cc1cc(Cl)ccc1NC(=O)[C@@]12CC[C@@](C)(/C(=N\OC(=O)c3ccccc3)C1)C2(C)C 38288288 SIFLQCWNGLPFSO-VPJVKGEQSA-N 438.955 6.016 30 10 IKEE C/C(=C1/S/C(=N/c2cccnc2Cl)N(C2CCCCC2)C1=O)c1ccc(C)c(C)c1 39864173 KZHJXVPOCUYJCN-DNBRKGDOSA-N 440.012 6.679 30 10 IKEE COc1cccc2cc(C(=O)Oc3ccc4c(c3)O/C(=C\c3ccc(F)cc3)C4=O)oc12 41354113 IHIJNZIISMZHTD-NHDPSOOVSA-N 430.387 5.416 30 10 IKEE C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(C(C)(C)C)cc1 59265959 QRYUHPHXBDWDRK-UHFFFAOYSA-N 436.581 5.071 30 10 IKEE C=C(C)COc1ccc(NCC(=O)Nc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)cc1 66062282 OGOIOCUOYHVFEW-FQEVSTJZSA-N 443.547 5.183 30 10 IKEE C=C(C)COc1ccc2ccccc2c1[C@@H]1Nc2ccccc2C(=O)N1C[C@@H]1CCCO1 66133065 IQGXRZWUWIMCQW-RXFWQSSRSA-N 428.532 5.540 30 10 IKEE C[C@@H]1CCc2c(sc(NC(=O)COc3ccc(OCc4ccccc4)cc3)c2C#N)C1 96537709 BAFQNDUODXACEU-QGZVFWFLSA-N 432.545 5.341 30 10 IKEE O=C(/C=C\c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(C2CCCCC2)cc1 96766577 QJJLAWDQDJZGRS-AQTBWJFISA-N 443.974 7.536 30 10 IKEE CCCCCCCOc1cccc(NCC(=O)Nc2ccc(OCCC(C)C)cc2)c1 100089933 ULUQCYTUILWDAV-UHFFFAOYSA-N 426.601 6.511 30 10 IKEE CCCCCCCCCCC(=O)OCC#CC#CCOC(=O)CCCCCCCCCC 100301516 GQFQOHGEHJTKMI-UHFFFAOYSA-N 446.672 7.141 30 10 IKEE O=C(Nc1ccc(Cl)cc1)[C@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2ccccc2)S1 100401208 GZMDMBUDQUVXMJ-LQUAGZSJSA-N 449.963 5.501 30 10 IKEE CN1/C(=C/C(=O)CSc2nnc(Nc3ccccc3F)s2)C(C)(C)c2ccccc21 102405918 FBJQGLPGOXQIQO-XDHOZWIPSA-N 440.569 5.394 30 10 IKEE S=C1/C(=N\c2ccccc2)N(c2ccccc2)/C(=N/c2ccccc2)N1c1ccccc1 103711720 DCWAWJOUIVROSI-FARCZNLOSA-N 432.552 6.759 30 10 IKEE COc1cc(/C=N/N/C=C2\Sc3ccccc3N2Cc2ccccc2)cc(OC)c1OC 105672138 DVQLRTIESSYDEM-PVZYVIAXSA-N 447.560 5.247 30 10 IKEE CCCc1nnc(S)n1/N=C\c1ccc(OCc2ccccc2Cl)c(OCC)c1 169910636 VTNDJRKFTYQLOZ-QRVIBDJDSA-N 430.961 5.033 30 10 IKEE COc1ccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2cc(C)ccc2C)cc1 169924809 LRNABURATPMKJL-SANMLTNESA-N 441.527 5.414 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2sc(C)nc2C)=C(O)C(=O)N1c1cc(C)ccc1C 169943948 WMMLCRMGIFZSQJ-NRFANRHFSA-N 448.544 5.168 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccc(N(C)C)cc2)c1 169967009 BRCJPSJFMPUNFE-AREMUKBSSA-N 440.543 5.163 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCC)cc1 169976261 OCFORUXHBTWOSL-FQEVSTJZSA-N 442.581 5.317 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2cccs2)c1 169982007 JJJFPAGORDPWLK-SFHVURJKSA-N 440.546 5.003 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@@H]2c2ccccn2)ccc1F 169995981 PBJHJZMAFVPXRC-XMMPIXPASA-N 438.458 5.465 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccccc2)cc1 170052664 DIXAXHAPTXSNBG-JOCHJYFZSA-N 433.891 5.522 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2c[nH]c3ccccc23)cc1 170074123 GVOCACLPBROPJP-QHCPKHFHSA-N 442.446 5.099 30 10 IKEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4cccc(Cl)c4)[C@H]3c3ccc(C)o3)nc2c1 170103602 IMJXOVOCVPMWJY-HXUWFJFHSA-N 447.878 5.209 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1cccs1)c1ccc(Cl)c(Cl)c1 170163519 SBQQCEIESNAXMM-GOSISDBHSA-N 445.327 5.228 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2)ccc1Cl 170231391 JOVUUARAGJMKOA-JOCHJYFZSA-N 439.939 5.650 30 10 IKEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@@H]1c1ccccc1)c1cc2ccccc2o1 170234593 XHZSPHNWBBVUGP-JOCHJYFZSA-N 435.439 5.092 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccc(F)cc1)c1c[nH]c2ccccc12 170238117 YGROWCUDXUPCPO-QFIPXVFZSA-N 430.410 5.229 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccc(O)c2)c1 170256716 ICDXCROFAQSPCI-JOCHJYFZSA-N 449.528 5.021 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(OCC(C)C)c3)=C(O)C(=O)N2C2CCCC2)cc1 170268507 OSKICBUKEOAYEX-RUZDIDTESA-N 447.575 5.805 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccco2)cc1 170282027 CXHQGVNTAJGDPX-OAQYLSRUSA-N 439.414 5.130 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2c2cccc(F)c2)o1 170299107 DHGVAVFSXMXKLI-QHCPKHFHSA-N 449.478 5.606 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccc(C)o2)cc1 170301357 IXUNMQLLTGHZTH-DEOSSOPVSA-N 443.499 5.258 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@@H]1c1ccc(C)o1 170309861 VFVYXUOKXBHVKA-QHCPKHFHSA-N 439.552 5.797 30 10 IKEE CC(C)OC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)c1 170372649 MYPUIQSOTDHSEE-QHCPKHFHSA-N 441.483 5.035 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(Cl)cc2)c1 170374448 QDBAKODUBXROHQ-FQEVSTJZSA-N 439.920 5.583 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(Cl)c(Cl)c2)c1 170388326 VBSIYHAEHXIOTJ-HXUWFJFHSA-N 439.298 5.480 30 10 IKEE CC1CCN(c2ccc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccco3)cc2)CC1 170400123 QTSVNXTXCIJIPB-XMMPIXPASA-N 442.515 5.299 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(Cc2ccc3c(c2)OCO3)[C@H]1c1ccc(C(C)(C)C)cc1 170471755 PATCWQGEGYRYJK-QFIPXVFZSA-N 449.547 5.224 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2nc3cc(F)c(F)cc3s2)[C@H]1c1cccs1 170477041 LVKCIQNEHMNJPZ-KRWDZBQOSA-N 434.489 5.151 30 10 IKEE CCCC[C@@H]1S/C(=N/N=C/c2ccc(OC)cc2OC)N(Cc2ccccc2C)C1=O 229295656 RGFJLHSGFCIJKQ-SNPIYUIBSA-N 439.581 5.037 30 10 IKEE O=C(/C=C/c1ccc(Br)cc1)Oc1ccc(C=Nc2ccc(Cl)cc2)cc1 252596311 CIHHNIOZHNJFRI-CTTWKOHPSA-N 440.724 6.472 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccc2ccccc2c1 253575938 VFLUBGDVAXWQLQ-UHFFFAOYSA-N 430.533 5.024 30 10 IKEE C[C@]12CC[C@H](O)CC1=CC[C@H]1[C@H]2CC[C@@]2(C)C(=NN=Cc3ccc([N+](=O)[O-])s3)CC[C@H]12 254341019 BKFIBDWKIPCPQA-KDIHGVKJSA-N 441.597 5.755 30 10 IKEE CC(=NNc1nc(-c2ccccc2)cc(-c2ccc(F)cc2)n1)c1ccc([N+](=O)[O-])cc1 254441421 OTFDOAQIYKSQAL-UHFFFAOYSA-N 427.439 5.694 30 10 IKEE Cc1ccc(C)c(N=C2S/C(=C3/Sc4ccccc4N3C)C(=O)N2c2ccccc2)c1 254704525 BUQZDLRNSVBBNH-CJKMRZRNSA-N 443.597 6.482 30 10 IKEE C[C@@H]1CN(c2ccc(C=Nc3ccc(O)c(-c4nc5ccccc5s4)c3)o2)C[C@@H](C)O1 254865163 WWXYEDMQPPLPMT-HZPDHXFCSA-N 433.533 5.626 30 10 IKEE O=C1/C(=C\c2cccc(F)c2)SC(=Nc2cccc3ccccc23)N1C[C@@H]1CCCO1 263629033 PUHJTEZAQSLHBG-RFWNXKSOSA-N 432.520 5.762 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(Br)cnn1C(C)C 407148342 KISIMNXKAIVDMW-IAGOWNOFSA-N 443.430 5.127 30 10 IKEE CSc1nc(O)c(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCCC2)cc1C#N 440055983 WIAOVOORVQIRDN-UHFFFAOYSA-N 449.498 5.031 30 10 IKEE Cc1ccc([C@@H]2C(c3ccc(Cl)cc3Cl)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526521376 LYABEDZYQVSADX-JOCHJYFZSA-N 435.310 6.231 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3cccc4ccccc34)[C@@H]2c2ccccc2C(=O)O)c1 526523105 ZWSROANGUBSGFC-VWLOTQADSA-N 446.462 5.467 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2sccc2C)cc1OC 526604277 GMAHYOXUPHYFRM-JOCHJYFZSA-N 446.528 5.393 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2c[nH]c3ccccc23)cc1 526805887 UTPXKWHRIKEWLC-QRQIAZFYSA-N 437.572 5.833 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1cccc(OC)c1OC 526811337 HURMPINIUQOCGN-MYYYXRDXSA-N 438.597 5.429 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccccc1[N+](=O)[O-] 526817050 NTTIQZQMAWZPMM-XKZIYDEJSA-N 429.933 5.357 30 10 IKEE Clc1cccc(Cl)c1/C=N\n1cnnc1SCc1ccc(Br)cc1 526819642 JXQMXYNSVNFFGB-WNFQYIGGSA-N 442.169 5.522 30 10 IKEE CCCCCCCCC[S@](=O)[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 586290060 UWAXLAMTZMGHAA-ASHKIFAZSA-N 425.944 6.185 30 10 IKEE CCCCCCCCC[C@@H](O)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 697002693 IZFADOPGODQRID-LJQANCHMSA-N 428.411 6.970 30 10 IKEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 698396477 GQPGUBXVXRTGBA-DEOSSOPVSA-N 437.584 5.409 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@](C)(C#N)Cc1cccc(F)c1 698481521 INGNENFDWSJXIV-OAQYLSRUSA-N 433.321 5.855 30 10 IKEE Cc1cc(C)c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)cc1C 698482222 NKGNZYAEOZNQOM-HXUWFJFHSA-N 429.358 6.381 30 10 IKEE CCCCCCCC[C@@H](NCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 707885160 HXGUIGPWBKWFSW-QPTUXGOLSA-N 434.665 6.214 30 10 IKEE CC(C)(C)OC(=O)NC1CCC(C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)CC1 724077184 BYCUMEMIXHIOBE-UHFFFAOYSA-N 435.609 5.676 30 10 IKEE CC(C)CCSc1n[nH]c(NN=Cc2ccccc2OCc2ccc(Cl)cc2)n1 1084324900 WKENFFPNNDAIMA-UHFFFAOYSA-N 429.977 5.621 30 10 IKEE CC1(C)[C@H]2CC[C@@]1(C)[C@H](O)[C@@H]2C=Nc1ccccc1N=C[C@@H]1[C@H](O)[C@H]2CC[C@@]1(C)C2(C)C 1565517592 PUXWGFKLGBSUCF-SUJITBKTSA-N 436.640 5.958 30 10 IKEE CC(C)N(C)c1cc(Cl)cc(C(=O)O/C(=N/C2CCCCC2)NC2CCCCC2)c1 1615947529 JZTLQTLPYONXIG-UHFFFAOYSA-N 434.024 5.952 30 10 IKEE Cc1ccc(C[C@@H]2SC(=Nc3ccc(C(=O)O)cc3)N(CCc3ccccc3)C2=O)cc1 1772728058 IDCNDIGOHLGVHI-QHCPKHFHSA-N 444.556 5.110 30 10 IKEE CCOc1cc(/C=C2\SC(=Nc3cccc(C)n3)N(C3CCCCC3)C2=O)ccc1O 1772737900 PZHYSEULPMCPML-POLMPROESA-N 437.565 5.431 30 10 IKEE Cc1cc(NC(=O)c2oc3c(c2C)C(=NNc2cccc(C(F)(F)F)c2)CCC3)no1 1772750598 DSZUPWNSPSCSDI-UHFFFAOYSA-N 432.402 5.308 30 10 IKEE Cc1sc2nc(O)n(Cc3cccc(C#N)c3)c(=O)c2c1-c1ccc(C(C)(C)C)cc1 1857805463 UWWOXNYLJUZXAY-UHFFFAOYSA-N 429.545 5.357 30 10 IKEE N#Cc1cccc(C(=O)Oc2ccc(CNC(=O)CCCc3ccc(Cl)cc3)cc2)c1 1859031652 UBSDGESKUPFJRZ-UHFFFAOYSA-N 432.907 5.070 30 10 IKEE N#Cc1ccccc1NC(=O)c1cc(CCc2ccccc2)n(-c2ccc(Cl)cc2)n1 1862327758 KREWWKYLPINENV-UHFFFAOYSA-N 426.907 5.435 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2cc(OC)ccc2OC)n(-c2cccc(Cl)c2)n1 1862351177 GETIJWKTJXEFCX-UHFFFAOYSA-N 437.927 5.024 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOCC)[C@@H]2c2ccccc2C)cc1 1862389231 AXHJJADIFMRCHN-XMMPIXPASA-N 435.564 5.343 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(C(C)C)cc1 1862406938 BWHYQIXBNOBBRT-RUZDIDTESA-N 449.591 6.286 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862412324 BNCMDQXWXLPTPI-JOCHJYFZSA-N 437.417 5.191 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccccc1C 1862428974 CJWMUBJKVZQALK-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCC)cc1 1862440175 ULMDBGFBARZMHB-OAQYLSRUSA-N 427.928 5.507 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862507492 MFRXIDAOXVBFIC-DEOSSOPVSA-N 429.491 5.529 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccccc2)cc1 1862515181 TVTPEWAAKBAQHT-VWLOTQADSA-N 445.559 5.944 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1cccc(C)c1 1862531876 DMOWEPOABQVMLQ-UKILVPOCSA-N 433.592 6.495 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccccc1 1862544127 WXZSOGVZIQKROR-MQVPCNEGSA-N 429.560 5.722 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCC(C)C)cc1 1862547213 OWIUMEWKPXUDQC-VWLOTQADSA-N 447.575 5.589 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(O)c(O)c1 1862618113 PJQLETQNTBPYQT-QFIPXVFZSA-N 437.536 5.164 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1cccc(Br)c1 1862623915 FRAXWSISSBYWKA-IBGZPJMESA-N 442.353 5.345 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C2CCCCCC2)cc1 1862626249 YUZINUAZPOPTAS-QHCPKHFHSA-N 433.504 5.025 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(Cl)cc1Cl 1862632589 RVDHFRHJDPETNQ-NSPYISDASA-N 448.302 5.099 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(C(=O)OC)cc1 1862652866 OAXMGFAQKKVCGU-QMHKHESXSA-N 443.499 5.003 30 10 IKEE COc1cc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CC2)ccc1OC(C)C 1862671060 ITIWYZRJVWTWBQ-DEOSSOPVSA-N 449.547 5.347 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cccc(Cl)c2)cc1 1862674853 VOQUHDGFKQFTMT-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccccc2)cc1 1862687291 IQQSFFYQNIHHFI-IQGLISFBSA-N 441.527 5.597 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccccc2F)cc1 1862688436 WKJSSZSYDSQGGY-QHCPKHFHSA-N 435.495 5.303 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)cc1 1862703531 WBWFZTGNEJOGPQ-VXWZWFMZSA-N 433.548 5.415 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C(C)C)cc1 1862717264 ZNNCVBNZTLDMGZ-DEOSSOPVSA-N 429.516 5.615 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C(C)C)cc1 1862717265 ZNNCVBNZTLDMGZ-XMMPIXPASA-N 429.516 5.615 30 10 IKEE Cc1ccc(C2=C(Nc3cccc4cccnc34)C(=O)N(c3ccccc3C#N)C2=O)cc1C 1862885434 UCQVSKDPNBULQE-UHFFFAOYSA-N 444.494 5.120 30 10 IKEE Cc1cccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3cc(Cl)ccc3Cl)C2=O)c1 1863012888 JFWMGINUGMSNTO-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3cc(Cl)ccc3C)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1863029233 DGZPLVISLRPTKI-UHFFFAOYSA-N 441.918 5.534 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(Cl)cc2)C1=O 1863179786 GQKZBMIRXJIEHF-INIZCTEOSA-N 427.891 5.165 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H](C)CC)=C(c2ccc(Br)cc2)C1=O 1863558981 FJOIAOOBNOJEEZ-MRXNPFEDSA-N 435.406 5.278 30 10 IKEE CCCC[C@H](NC(=O)C[C@H](CC(C)C)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)cc1 1867105630 WQAINWCCVPZUJP-URXFXBBRSA-N 437.559 5.531 30 10 IKEE CC(C)c1nc(Nc2cccc(C#N)c2)cc(N2CCC(=O)c3cc(C(C)(C)C)ccc32)n1 1868221490 OCTKUUNHAQDPPL-UHFFFAOYSA-N 439.563 6.237 30 10 IKEE CCCCCCCCn1cc(OCC(=O)Nc2ccc(OC)c(Cl)c2)c(=O)cc1C 1870084453 FFFVAKFUUXWJBH-UHFFFAOYSA-N 434.964 5.197 30 10 IKEE CCCCCCCOc1cn(C[C@@H]2CCCO2)c(CNc2cc(C)cc(C)c2)cc1=O 1870833440 IYYPBMLSBQLVCE-DEOSSOPVSA-N 426.601 5.605 30 10 IKEE C#CCOc1cn(Cc2ccc(Cl)cc2)c(CNc2ccc(C(F)(F)F)cc2)cc1=O 1871010667 ODPCENMMMZLRHU-UHFFFAOYSA-N 446.856 5.193 30 10 IKEE CCCCCCCCCCn1cc(OCCCO)c(=O)cc1CNc1ccc(C)cc1 1871266005 ZZMZPDPNPBQXHG-UHFFFAOYSA-N 428.617 5.671 30 10 IKEE Cc1cccc(CN2COc3ccc4c(c3C2)O/C(=C\c2ccc(C(C)C)cc2)C4=O)c1 1871347876 ATBJWUBAKGCOKS-WGARJPEWSA-N 425.528 6.087 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc4c3CN(C[C@@H](O)c3ccc(Cl)cc3)CO4)C2=O)c1 1871353231 NRPJSLXRSYEYMS-CBOXRNDFSA-N 447.918 5.150 30 10 IKEE C[C@@H](N1COc2ccc3c(c2C1)O/C(=C\c1cccs1)C3=O)C12CC3CC(CC(C3)C1)C2 1871354510 SLHGFGAAWCZPBG-ROBOKPCWSA-N 447.600 6.121 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OC(=O)COc4ccccc4)ccc3C2=O)c2ccccc21 1871364492 OSOINRJDMQQVNK-QFEZKATASA-N 439.467 5.262 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OC(=O)Cc4cccc5ccccc45)c3C)C2=O)cc1 1871376731 VENLHFPICWIOAF-PKAZHMFMSA-N 448.518 6.475 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2sccc2C)C3=O)cc1 1871389351 RBNFYAOXFAQRCW-MOSHPQCFSA-N 434.469 5.207 30 10 IKEE Cc1c(O[C@H](C)C(=O)Nc2ccccc2)ccc2c1O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871405142 OBLOLHRVUQMTDP-UFAQQFSPSA-N 441.527 6.141 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OCc3ccc(C(=O)OC(C)C)cc3)cc(C)c2C1=O 1871415166 VCZZVOHRHDXYJW-QFEZKATASA-N 442.511 6.064 30 10 IKEE Cc1c(OCc2nc(O)c3ccccc3n2)ccc2c1O/C(=C\c1cccc(Cl)c1)C2=O 1871430194 COUWPVNJZVAHET-MTJSOVHGSA-N 444.874 5.492 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(O[C@@H](C)C(=O)Nc4c(C)cccc4C)c3C)C2=O)c1 1871430267 GITALBOUHSFRJO-ORQKMDSUSA-N 441.527 5.942 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc(OCC(=O)Nc3ccc(Cl)cc3)c2C)C1=O 1871440960 PTRZEYYJGHNWAK-ODLFYWEKSA-N 439.920 5.652 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1ccccc1 1872302083 ARDAZWZDVLTFIB-OAQYLSRUSA-N 434.989 5.023 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1C(C)C)c1ccccc1)S(=O)(=O)CCCC 1872455573 CWDCFBQHSUQABT-XMMPIXPASA-N 442.625 5.498 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cccc(C)c1C)[C@@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872523334 GLATWIPDOGVCKX-SBUREZEXSA-N 446.588 5.063 30 10 IKEE CCc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3ccc(F)cc3F)cs2)cc1 1872766105 CCLKDGIUBJCZAP-IBGZPJMESA-N 426.488 5.686 30 10 IKEE N#C[C@@H](C(=O)c1ccc(-c2ccccc2)cc1)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872774173 JIZJBBATWPRIGT-NRFANRHFSA-N 438.508 5.738 30 10 IKEE Cc1cc(C)c(-c2csc([C@H](C#N)C(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)n2)c(C)c1 1872786561 NFQMLEQQILXLMK-QGZVFWFLSA-N 434.521 5.200 30 10 IKEE CCCCCCCCNC1=C(c2c(C)cc(C)cc2C)C(=O)N(CCCOCC)C1=O 1873121157 QGOGESNEJKVNIF-UHFFFAOYSA-N 428.617 5.068 30 10 IKEE C=CCn1c(C(=O)N2CCc3ccccc3C2)cc2c(N(CCCC)CCCC)ncnc21 1873561920 FWEJQNACTSUJSN-UHFFFAOYSA-N 445.611 5.222 30 10 IKEE CCCCCCCCNC(=O)c1cc2c(N(CCCC)CCCCCC)ncnc2n1C 1873566284 LFBGWONQLZSQOK-UHFFFAOYSA-N 443.680 6.245 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc2c(NCCCC)ncnc21 1873604344 VRKZWICEYLVPAS-UHFFFAOYSA-N 441.535 5.874 30 10 IKEE COc1cccc(/C=N/n2c(CCCOc3ccc(C(C)(C)C)cc3)nnc2SC)c1 1874195327 IYJYYAWFQPJUOZ-KOEQRZSOSA-N 438.597 5.200 30 10 IKEE C=CCSc1nnc(COc2ccc(OCC)cc2)n1/N=C/c1cccc(Cl)c1 1874236556 OMAXKDJYHXLDQU-OEAKJJBVSA-N 428.945 5.070 30 10 IKEE CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1cc(OC)ccc1OC 1874243886 DNHJQIVISXDNNE-MFKUBSTISA-N 440.613 5.048 30 10 IKEE CCCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1cc(Cl)ccc1O 1874247792 XCOVBBDMBIJYHJ-BUVRLJJBSA-N 444.988 5.341 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1cccc(Cl)c1 1874258176 NJZSRHVCDKZGMY-AFUMVMLFSA-N 441.000 6.013 30 10 IKEE CCCc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2cccs2)cc1 1874258219 PZYCEGYGLNQGKV-PCLIKHOPSA-N 448.617 6.046 30 10 IKEE C=CCSc1nnc(CCc2ccccc2OC)n1/N=C/c1ccccc1OCCC 1874313595 BYQBYMOEBPONIQ-XIEYBQDHSA-N 436.581 5.021 30 10 IKEE Cc1ccc(OCc2nnc(SCCc3ccccc3)n2/N=C/c2cccn2C)cc1C 1874320675 DHEUGANJYPQXKD-YZSQISJMSA-N 445.592 5.029 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3)n2/N=C/c2cccc(F)c2)cc1C 1874329699 AGNIIALRBIDQHD-OGLMXYFKSA-N 444.579 5.994 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccccc2F)cc1C 1874357435 HZEJMQSDUDPYJT-RWPZCVJISA-N 448.542 5.938 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCC)nnc2-c2ccccc2Cl)cc1OC 1874366861 YNZVMBUCOSEQQY-BUVRLJJBSA-N 444.988 5.780 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC3CCCCC3)n2/N=C/c2cccc(F)c2)c1 1874408052 DEVKWLAYULCBDC-JVWAILMASA-N 436.600 6.331 30 10 IKEE CC(C)COC(=O)CSc1nnc(CC2CCCCC2)n1/N=C/c1ccc(Cl)cc1 1874408716 MEOOOJWCSVAQPS-ZMOGYAJESA-N 449.020 5.228 30 10 IKEE C=CCSc1nnc(Cc2ccccc2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874418256 HDGSRIHLDOTBNI-ZXVVBBHZSA-N 440.572 5.608 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccccc2)n1/N=C/c1c(F)cccc1Cl 1874426194 VWZWKJBURVKWLJ-VULFUBBASA-N 436.943 6.221 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2[C@@H]2CCCO2)c1 1874442908 NMNYQNNXGGGJAH-XAOCGEIJSA-N 440.544 5.232 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2Cl)nnc1[C@@H]1CCCO1 1874450683 HYIADKSCUZHUFN-OGBFJMLUSA-N 447.391 5.919 30 10 IKEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3C)nnc2-c2ccco2)cc1 1874466102 RQFQALBWYDXENR-MFKUBSTISA-N 445.548 5.022 30 10 IKEE CC(C)Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1c[nH]c2ccccc12 1874487749 GTWFRHJUSUCZMO-ZMOGYAJESA-N 434.525 5.041 30 10 IKEE COc1cccc(/C=N/n2c(CC(C)C)nnc2SCc2ccccc2Cl)c1O 1874489697 GGVDDWYXCGEINQ-FSJBWODESA-N 430.961 5.019 30 10 IKEE CCCCCCOc1ccc(/C=N/n2c(CC(C)C)nnc2SCCC)cc1OC 1874491000 VEDUBMRZVFKRCS-JJIBRWJFSA-N 432.634 5.829 30 10 IKEE Cn1cc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CCC2)c2ccccc21 1874497027 QAVSXYMKSBCCTA-DHRITJCHSA-N 435.984 5.865 30 10 IKEE C=CCSc1nnc(C2CC2)n1/N=C/c1cccc(OC)c1OCc1cccc(C)c1 1874521076 ABKQYGQBZVKKDT-MFKUBSTISA-N 434.565 5.212 30 10 IKEE CCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1cc(Br)ccc1F 1874521690 GQHHOIVRBMIUDA-SSDVNMTOSA-N 433.350 5.225 30 10 IKEE CCc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874526582 VYMRNRMMDISYJI-UFFVCSGVSA-N 436.324 5.230 30 10 IKEE COc1cccc(/C=N/n2c(S)nnc2C2CCCC2)c1OCc1ccccc1Cl 1874559838 RNQMMKABTKHCRT-ZMOGYAJESA-N 442.972 5.348 30 10 IKEE Cc1ccccc1COc1ccccc1/C=N/n1c(S)nnc1Cc1ccc(F)cc1 1874561741 GUUUJQPFMIUQNE-CVKSISIWSA-N 432.524 5.066 30 10 IKEE Cc1ccc(OCc2nnc(S)n2/N=C/c2cccc(OCc3ccccc3)c2)c(C)c1 1874562942 AWKUYYMVZHMWAZ-CVKSISIWSA-N 444.560 5.224 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c1OCc1cccc(Cl)c1 1874571777 GBJKLKCKPNVBDH-CCEZHUSRSA-N 432.947 6.703 30 10 IKEE CCCNC(=O)COc1c(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(Cl)cc1OC 1874571900 MFNDCXWZLLNAIB-ZHACJKMWSA-N 441.955 5.029 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(F)cc2F)c1OCc1ccc(Cl)c(Cl)c1 1874576568 SYNMADYMWRVGKP-UXBLZVDNSA-N 449.280 6.755 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)c1 1874580166 ACRBXBNDXSHVDT-CCEZHUSRSA-N 426.943 7.585 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(Cl)ccc1OCC(=O)Nc1ccc(C)cc1 1874580683 BDULUMHPHWOAHO-YRNVUSSQSA-N 449.934 5.879 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(F)c(C)c2)c1OCc1cc(C)ccc1C 1874581605 WRYXRWXOOOJZQP-CSKARUKUSA-N 438.926 6.888 30 10 IKEE CCCNC(=O)COc1c(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Cl)cc1OC 1874589777 CGDZWQBXXZXRJO-BQYQJAHWSA-N 429.944 5.075 30 10 IKEE O=C(/C=C/c1ccc(OCCc2ccccc2)c(Br)c1)c1ccccc1Cl 1874609099 XUDCUVJWALPFME-ZRDIBKRKSA-N 441.752 6.620 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Cl)c(OCc2cc(C)ccc2C)c(OC)c1 1874610222 HIMRBGRDBDCOOR-VAWYXSNFSA-N 436.935 6.449 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)c(Cl)c2)cc1 1874615835 BJOHJMAHACDLSA-ATEOEAFZSA-N 433.935 5.801 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(OC)c1OCc1ccccc1F 1874621326 SEIFAYUGSJUCKB-VQHVLOKHSA-N 436.435 5.047 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2)cc1 1874624193 QNJBUZRUAUVLTC-GIJQJNRQSA-N 427.544 6.286 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2c(F)cccc2Cl)c1)c1cccc([N+](=O)[O-])c1 1874692704 UDVCBOONBZBNOM-ZHACJKMWSA-N 425.799 5.503 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)c1ccc(C)c(C)c1 1874692897 CJERHDCFRSWQHW-DHZHZOJOSA-N 431.444 5.336 30 10 IKEE COc1cc(C(=O)Oc2cccc(/C=C/C(=O)c3cc(C)ccc3C)c2)cc(OC)c1OC 1874703157 BJURPVAHBGWBKA-VAWYXSNFSA-N 446.499 5.445 30 10 IKEE Cc1cc(C(=O)/C=C/c2cccc(OC(=O)COc3c(C)ccc(C)c3C)c2)ccc1F 1874703834 JMBBZGDSZTUSPF-JLHYYAGUSA-N 432.491 5.940 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(C(F)(F)F)cc2)c1)c1ccc(F)c(F)c1 1874710527 COLPBBZJLSRQBI-NYYWCZLTSA-N 432.344 6.099 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cccc(OC(=O)c3sccc3C)c2)c1 1874713087 FWQMJEFORRMHDJ-PKNBQFBNSA-N 436.529 5.969 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)ccc1OC(=O)c1ccc(C)cc1 1875109370 KUHOWYLNDNYAHM-MDWZMJQESA-N 430.500 5.826 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3Cl)c(Cl)c2)c(C)c1 1875131665 JEPLTNJAEKMXSB-DHZHZOJOSA-N 439.338 6.654 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)Cc1ccc(F)cc1 1875131941 WRXBWSJKHJYUKO-XYOKQWHBSA-N 448.490 5.504 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccs3)c([N+](=O)[O-])c2)cc1 1875138357 NONMKIDBRLYDNK-VZUCSPMQSA-N 437.473 5.560 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)CCc1ccccc1C 1875140197 VBYRIMHQXGFIFU-SDNWHVSQSA-N 428.528 6.055 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)ccc1F 1875141159 QFXYTOBYOLPTTL-VZUCSPMQSA-N 443.301 6.485 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OCC(C)C)cc3)cc2)cc1F 1875153047 YWBXXHYBAUCBJO-MKMNVTDBSA-N 448.490 5.984 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(OCC)ccc2OCC)cc1[N+](=O)[O-] 1875172438 ULAHOXNGDAEGMR-FMIVXFBMSA-N 441.480 5.384 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3Cl)cc2)c(OC)c1 1875178875 GUDXHQWJJJBURA-NTEUORMPSA-N 436.891 5.401 30 10 IKEE N#C[C@]1([C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCC12CCC2 1875635936 YLXGVGMGFDTIPT-PXJZQJOASA-N 439.555 6.352 30 10 IKEE C=C([C@@H](NC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(C)(C)C 1875647020 RYLILHJHJXKYAU-VSGBNLITSA-N 445.603 6.068 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H]1CCN(C(=O)OC(C)(C)C)c2ccccc21 1922116559 RHDGYBKCGUVWGD-NOZRDPDXSA-N 436.596 5.667 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 1945519746 AGMPTPMTPFRTEW-AYOQOUSVSA-N 433.524 5.105 30 10 IKEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@]1(C#N)CCC(F)(F)C[C@@H]1OCc1ccccc1 1998814220 LQCHEYOVHYBBTF-LPHOPBHVSA-N 448.432 5.453 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NC)c1c(Br)ccc(Cl)c1F 2037655044 WCGFKSVEXPIQAT-BBRMVZONSA-N 435.765 5.362 30 10 IKEE O=C1C(=Cc2ccc(F)c(F)c2)CN(Cc2ccccc2)CC1=Cc1ccc(F)c(F)c1 2040455132 PDYHCWPXGVXJJG-UHFFFAOYSA-N 437.436 5.795 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)c(C)c(Br)c1)NC 2048642622 KMNHEONIWLJBDT-SJORKVTESA-N 431.802 5.011 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCC)c2scc(Br)c2C)C1 2062968976 DTPRHVRSBZCOAM-INIZCTEOSA-N 429.424 5.331 30 10 IKEE FC(F)(F)c1cc(N=C2N[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2)cc(C(F)(F)F)c1 2069376668 ZAQVVEJYDAQVNB-BGYRXZFFSA-N 449.398 6.387 30 10 IKEE CC#CCCCC[C@@H](NCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2075361506 ZFNJNJNDIBEJNN-SQHAQQRYSA-N 442.644 5.392 30 10 IKEE CCCc1ccc([C@H](n2nc(C3CCC3)c(C=NO)c2Br)C(C)(C)C)cc1 2079857159 YPMYHLWTWCIORQ-FQEVSTJZSA-N 432.406 6.309 30 10 IKEE CC(C)c1nn([C@@H](c2ccc(C(F)(F)F)cc2F)C2CC2)c(Br)c1C#N 2079878841 UEHWBPZKOBEGQZ-MRXNPFEDSA-N 430.243 5.798 30 10 IKEE COc1ccc([C@@H](n2nc(C(F)(F)F)c(C#N)c2Br)C(C)(C)C)cc1C 2080005529 GYAKAAWFGFCVSU-OAHLLOKOSA-N 430.268 5.489 30 10 IKEE Oc1c2c(nc3c(-c4cc(F)cc(C(F)(F)F)c4)c(C(F)(F)F)nn13)CCCCC2 2081508417 BPSQGNXJOYXAKS-UHFFFAOYSA-N 433.327 5.548 30 10 IKEE CC(C)[C@@H](C)N(Cc1ccccc1)c1ncc(C(F)(F)F)cc1B1OC(C)(C)C(C)(C)O1 2116140664 PNFXVLBTGJNAGE-QGZVFWFLSA-N 448.338 5.451 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)[C@H]1[C@@H]2[C@@H]1CCC2(F)F 2119358276 GMWIFQPVNCMAGA-FWYOQMDTSA-N 427.289 5.374 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2cc(C)c(Br)s2)cc1 2137591774 AANYXCSLDASKNU-HNNXBMFYSA-N 437.359 5.834 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@]2(C#N)Nc2cccc(Br)c2)C1 2156250026 FBSVDBCRJATUJR-NHCUHLMSSA-N 434.378 5.325 30 10 IKEE CC(C)(C)OC(=O)NC(C)(C)c1ccc(Nc2ncc(Br)cc2C#N)cc1 2162298379 YVDWZXGJQRHYSB-UHFFFAOYSA-N 431.334 5.219 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1ccc(-c2ccccc2Br)s1 2164108674 WQHQGUTZESYKFD-HSZRJFAPSA-N 442.422 6.601 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@]2(CNc3ccc(Br)cc3C#N)CCC[C@H]12 2165298706 CATCDRIDSPSXJB-GHTZIAJQSA-N 434.378 5.302 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2ccccc2c1Br 2180892031 SUDKKWXMVDFWFU-QGZVFWFLSA-N 433.346 5.400 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)[C@H]1C[C@H]1C1CCCCC1 2200284836 XRKQTACOADNWGV-ABSDTBQOSA-N 433.390 6.299 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccc(C#N)c(Br)c2)C12CCCC2 2204294836 WZKPZSDQNWBCRK-GOSISDBHSA-N 434.378 5.445 30 10 IKEE CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)C(=O)C#Cc1ccccc1Br 2235725266 IZRNQNPBHJUKSJ-LJQANCHMSA-N 434.374 5.233 30 10 IKEE C=CCC1([C@@H](NCC)c2ccc(Br)cc2CC)CN(C(=O)OC(C)(C)C)C1 2237548214 URIUEPRFIXZLSO-IBGZPJMESA-N 437.422 5.475 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Br)c([C@H](N)C#Cc2ccccc2Cl)c1 2277843904 BLQMOHXKPDPIKP-GOSISDBHSA-N 435.749 5.501 30 10 IKEE CC1(C)OB(c2cc(C(=O)Nc3cc(Cl)c(Cl)cc3Cl)cs2)OC1(C)C 2282204788 XDGNIFWQKFRHHN-UHFFFAOYSA-N 432.565 5.260 30 10 IKEE CN[C@@H](C#Cc1cccc(Br)c1)CCC[C@@H](NC(=O)OC(C)(C)C)C(C)C 2296278545 FRMQKBFRWJHVTA-WOJBJXKFSA-N 437.422 5.108 30 10 IKEE N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SC=C(O)c1cc2ccccc2o1 2297565048 VXFVTVJZTIWEBV-UHFFFAOYSA-N 438.430 7.034 30 10 IKEE C#CCOC(=O)C=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 2314013668 CCKGAOHTUAAOHH-UHFFFAOYSA-N 440.120 5.525 30 10 IKEE COc1ccccc1C=CC(=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 2314430266 ZYHRPUKANFPDRQ-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@@H](C#N)[C@]1(C)CCCCN1C(=O)OC(C)(C)C 2318947189 RJSFVEOHXDXXAO-CYFREDJKSA-N 447.551 5.639 30 10 IKEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccccc1OC(C)C 2321184578 QKYUZONBWYAURR-UHFFFAOYSA-N 435.380 5.855 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc([N+](=O)[O-])cc1)C3=O)CN([C@@H]1CCCC[C@@H]1C)CO2 2322391884 ZUKXCNBBOYRBHU-YCRPNKLZSA-N 434.492 5.250 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2c(OCC(=O)OC)ccc3ccccc23)c1 2322860288 ZZYINJCBIXLWAY-UHFFFAOYSA-N 434.488 5.085 30 10 IKEE Cc1c(OC(=O)Cc2cccs2)ccc2c1OC(=Cc1ccc(Cl)cc1Cl)C2=O 2322872225 JPRSUIFYMOIKLC-UHFFFAOYSA-N 445.323 6.128 30 10 IKEE Cc1ccc(C(=O)C=Cc2c(OCC(=O)Nc3ccccc3)ccc3ccccc23)cc1C 2322890008 IXDJBZSYQIASOQ-UHFFFAOYSA-N 435.523 6.370 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C)c(C)c2)c1OCC(=O)Nc1cc(C)ccc1C 2322901576 SWJGERNICUUGGS-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cc(Cl)ccc1OCc1ccc(F)cc1 2322959228 UBCDEAQVRPAYJG-UHFFFAOYSA-N 436.954 7.560 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1 2323157617 ACCJQOLHTUCFBG-UHFFFAOYSA-N 443.543 6.006 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OC(=O)Cc4ccc(F)cc4)ccc3C2=O)cc1 2323226307 UUSOHBAMOMHHCO-UHFFFAOYSA-N 445.490 5.436 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)ccc1OCc1ccccc1 2323353354 ULZSQBBVSWHWIW-UHFFFAOYSA-N 434.535 7.227 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OC(=O)C=Cc3cccs3)cc(C)c2C1=O 2323530623 RFNMIFUJYFBWMY-UHFFFAOYSA-N 432.497 5.690 30 10 IKEE Cc1c(OC(=O)CC(C)C)ccc2c1OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O 2323767462 ZRAXDWPAJNUFHL-UHFFFAOYSA-N 428.868 5.083 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C)cc2)C3=O)c1 2323889927 QRBQJUZNTNHDLW-UHFFFAOYSA-N 428.440 5.146 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)c(Cl)c2)cc1 2323900376 BJOHJMAHACDLSA-LJQANCHMSA-N 433.935 5.801 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1ccc(C)cc1 2324073519 FEIPQOCSSWVXCK-UHFFFAOYSA-N 428.572 7.166 30 10 IKEE COc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O 2324471118 XPFPMHMYIAHSFK-GOSISDBHSA-N 441.483 5.274 30 10 IKEE Cc1cc(OCc2ccccc2C#N)cc2c1C(=O)C(=Cc1ccc(Br)cc1)O2 2325352753 MTDYMHYBKVOATE-UHFFFAOYSA-N 446.300 5.824 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(OC)c(O)c1 2325528932 WXECYIVNTBFIRI-UHFFFAOYSA-N 430.961 5.163 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2c(F)cccc2Cl)c1)c1ccc2ccccc2c1 2325700476 BVROCKDNIZPHLW-UHFFFAOYSA-N 430.862 6.748 30 10 IKEE O=C(Cc1ccc(F)cc1F)Oc1cccc(C=CC(=O)c2ccc3c(c2)CCCC3)c1 2325701613 BMBBGTSPIWXDOB-UHFFFAOYSA-N 432.466 5.888 30 10 IKEE COc1ccccc1C(=O)Oc1cccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)c1 2325737247 DAIXOJZUFSNLKZ-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE CCc1ccccc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccccc1C)C2=O 2325737669 XVLYAOGACBJMFW-UHFFFAOYSA-N 427.500 5.500 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OC(=O)c1ccc(F)c(F)c1F 2325740026 YDHGETGMWPVWEV-UHFFFAOYSA-N 440.417 5.845 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(C)cc3)c2)c1 2325743744 XCFKDHLEYPXGAK-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC(=O)COc2ccccc2)c1 2325752686 IGYVILYMGAXVEB-UHFFFAOYSA-N 444.527 5.873 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2cccc3ccccc23)c1)c1cc(Cl)ccc1Cl 2325774094 NVIGKSVTGQPLTO-UHFFFAOYSA-N 447.317 7.262 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1ccc(C)cc1 2325909974 GHRHQZMOTXTUKU-UHFFFAOYSA-N 433.364 5.633 30 10 IKEE CCOc1cc(C=Nn2c(CC)nnc2SCc2cccc(C)c2)cc(Cl)c1O 2326380002 RNRWXOZWQZVKRP-UHFFFAOYSA-N 430.961 5.081 30 10 IKEE CCCOc1ccc(C=Nn2c(CC)nnc2SCc2ccc(C)cc2C)cc1OC 2326442261 AVYALNBHPMZKRO-UHFFFAOYSA-N 438.597 5.429 30 10 IKEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(OCC(C)C)cc1 2326513694 DJRFEZIVMIIXFT-UHFFFAOYSA-N 449.407 6.103 30 10 IKEE CCCSc1nnc(COc2ccccc2OCC)n1N=Cc1cn(C)c2ccccc12 2326848538 AGOIPPLXQVRJBE-UHFFFAOYSA-N 449.580 5.132 30 10 IKEE C=CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1c(F)cccc1Cl 2326924387 UHXHZGJXRYVHML-UHFFFAOYSA-N 445.007 5.990 30 10 IKEE CCOc1c(C=Nn2c(CCc3ccccc3Cl)nnc2SCC)cccc1OC 2327946981 CKALCZKSJNWQQZ-UHFFFAOYSA-N 444.988 5.118 30 10 IKEE Oc1cccc(C=Nn2c(CCc3ccc(Cl)cc3)nnc2SCc2ccccc2)c1 2328056611 AUIHIGAMHQISNB-UHFFFAOYSA-N 448.979 5.597 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccccn2)cc1C 2328776865 GDNLQVIHPDNCNS-UHFFFAOYSA-N 447.539 5.183 30 10 IKEE C=CCNC(=O)Oc1cccc2c(NC(=O)C=Cc3ccccc3OCCC)cccc12 2329917668 QPBANYDYNKKNFI-UHFFFAOYSA-N 430.504 5.555 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2ccccc2)n1N=Cc1cccc(F)c1 2330164660 JBLNFJFXOHCVJS-UHFFFAOYSA-N 430.552 5.685 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCSC)NC(=O)C=Cc1ccc(F)cc1 2330538211 CQEGEEJCWNYNKY-QFIPXVFZSA-N 436.637 5.334 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)cc1C 2330624063 MAJLIUKVKXJPPF-UHFFFAOYSA-N 449.890 5.909 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(Cl)c1OC(=O)C1CCC1 2330667740 LVLYISQOWOBIAL-UHFFFAOYSA-N 434.919 6.494 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4ccccc4c3)cc2OC)cc1 2330676086 KLOYZMSSZNNCPD-UHFFFAOYSA-N 436.507 6.526 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc([N+](=O)[O-])cc1 2330812636 XSWDGMVPPNMABP-UHFFFAOYSA-N 427.505 5.089 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cncc(C)c3)c(OC)c2)cc1 2330850933 CRFMCGHUZKGZNR-UHFFFAOYSA-N 429.516 5.857 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1C 2330860371 YFDBBPPLAOTIMH-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE Fc1ccccc1CSc1nnc(C(F)(F)F)n1N=Cc1ccc(Cl)cc1Cl 2331136525 SMLVAAQXPXYBAW-UHFFFAOYSA-N 449.260 5.917 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)c(F)c3)c([N+](=O)[O-])c2)c1 2331322971 OUHCPVOQPVBZGG-UHFFFAOYSA-N 437.398 5.605 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2cc(C)ccc2OC)cc1OCC 2331364070 JAAIBBPVTXQSIM-UHFFFAOYSA-N 430.928 6.047 30 10 IKEE Cc1ccc(CSc2nnc(C3CCC3)n2N=Cc2c(Cl)cccc2Cl)cc1 2331484714 NHTAWAHUDHSUHP-UHFFFAOYSA-N 431.392 6.335 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)c(F)c2F)c(Cl)c1)c1ccc(F)cc1 2331523097 ZYEABIDXCDUIJJ-UHFFFAOYSA-N 434.772 6.012 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1OC(=O)C(C)(C)C 2331641705 VSGPXRWFNKFXCU-UHFFFAOYSA-N 428.956 6.430 30 10 IKEE C=CCCCCCC[C@@H](OCCN)c1sc(Cl)cc1I 2366681602 JBDMVFVTPQUXFW-CYBMUJFWSA-N 427.779 5.549 30 10 IKEE CCc1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c(Br)c1 1984356 ZGACTQYLVGZTQK-GFCCVEGCSA-N 433.371 5.087 30 10 IKEE CCc1c(C)sc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccco2)N3)c1C#N 2475870 HRCMLIAHSZCVTI-XJKSGUPXSA-N 449.458 5.193 30 10 IKEE CN1/C(=C\C(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)C(C)(C)c2ccccc21 9637035 LUYWJQQYLDXVEF-HMAPJEAMSA-N 448.567 5.392 30 10 IKEE CN(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2O)cc1 21225241 SKPYJJGGBHDNKB-XRHLQHRESA-N 425.532 5.438 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccn2)cc1 21228157 ZFRFXBDXOHSVIR-UZTOHYMASA-N 425.532 5.850 30 10 IKEE CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)cc1 21246726 WTJVUYYHLNYZPH-CLYVBNDRSA-N 444.962 6.718 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(-c3ccccc3)cc2)cc1 21258124 BQXUEYPRNZDARQ-UKILVPOCSA-N 437.539 5.757 30 10 IKEE N#Cc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)c2cccc(C(F)(F)F)c2)cc1 25142324 WGAVJVFXPCOSDK-UHFFFAOYSA-N 432.405 5.682 30 10 IKEE CC[C@@H](Sc1cc(C)c2cc(C)cc(C)c2n1)C(=O)Nc1sc2c(c1C#N)CCCC2 32529576 URXRUFBHYDAADG-HXUWFJFHSA-N 449.645 6.481 30 10 IKEE CCC[C@@H]1S/C(=N/N=C/c2ccc(Br)cc2)N(Cc2ccccc2)C1=O 33561109 OOFYOLZPPLKISU-MWDTWODRSA-N 430.371 5.083 30 10 IKEE C=CCN(Cc1csc(COc2cc(C)cc(C)c2C)n1)C(=O)c1ccc(Cl)cc1 36106157 AJRPGYYFZADRNF-UHFFFAOYSA-N 440.996 6.129 30 10 IKEE CNC(SCc1ccc(Br)cc1)=C(C(=O)c1ccco1)C(=O)c1ccco1 40570372 CKTWBIXNXLGISL-UHFFFAOYSA-N 446.322 5.065 30 10 IKEE Cc1c(C(=O)NCc2ccccc2Cl)oc2c1/C(=N/Nc1ccc(F)cc1)CCC2 40823793 WSJMYPDBJBZVLO-TURZUDJPSA-N 425.891 5.463 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(C)cc4)cc(C)c3C2=O)cc1OC 41284332 AJOIWRDICFRISP-QRVIBDJDSA-N 430.456 5.156 30 10 IKEE C/C(=N\n1c(-c2ccc(C(C)(C)C)cc2)n[nH]c1=S)c1ccc(-c2ccccc2)cc1 59168454 WLQRHTIJOIWLAO-RDRPBHBLSA-N 426.589 6.844 30 10 IKEE O=C1/C(=C\c2cccn2-c2ccccc2)S/C(=N/Cc2ccccc2)N1Cc1ccccc1 59248557 ZEAHKDYFVSRCJH-JMENAVADSA-N 449.579 6.150 30 10 IKEE C=CCn1c(COc2ccccc2)nnc1SCCC(=O)Nc1cccc2ccccc12 59266021 GEWZTTVVIFHFDU-UHFFFAOYSA-N 444.560 5.317 30 10 IKEE O=S(=O)(/N=C(\N=C(/Oc1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 100488368 KSAJPVALNWFCIF-VMLCCZMXSA-N 440.524 5.348 30 10 IKEE CCCC[C@@H]1O[C@@H]1CCCCCCCCCCCCCC1=C(O)C(=O)C(C)=C(O)C1=O 100502371 CQYLCXGDVUAPIN-FCHUYYIVSA-N 434.617 6.811 30 10 IKEE CCCCCCCOc1c(Cl)cc(C(=O)Nc2cc(OC)ccc2OC)cc1Cl 101138406 KZMUAZJDPIVQAO-UHFFFAOYSA-N 440.367 6.612 30 10 IKEE CN1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)S/C1=N/c1ccc(N2CCOCC2)cc1 101631810 UHNDKKPQBIPCFW-SANDBKKGSA-N 435.593 5.055 30 10 IKEE Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)O/C(=C/c2cccc(Cl)c2)C3=O)cc1 102729481 WIEOBCKVSNPFEZ-CIAFOILYSA-N 426.877 5.032 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)/C(=C(\O)c4ccccc4)[C@@H]3c3ccco3)sc2c1 102911753 HGMBSJAACADSDG-LCPUNJGISA-N 430.485 5.078 30 10 IKEE CN(C)c1ccc(/C=C2/S/C(=N/c3ccccc3)N(c3ccccc3)C2=O)cc1[N+](=O)[O-] 108184639 NQVOCPLHSSXKQA-XAFFKLEKSA-N 444.516 5.469 30 10 IKEE CCCOc1c(Cl)cc(/C=N\Nc2nc(-c3ccc(C)cc3C)cs2)cc1OCC 169940747 OCYKOZIZGBHBJV-MXAYSNPKSA-N 444.000 6.714 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccc2OC)c(C)c1 169941557 IRSWXSBFJPOFLY-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCCCCCCCCOc1ccc(-c2nc3cc(OC)c(OC)cc3[nH]2)cc1Cl 169942521 QOQLLYRXFYEKDE-UHFFFAOYSA-N 430.976 7.030 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccc(O)cc2)cc1 169958099 KHNIQIXQXPSCDB-HSZRJFAPSA-N 447.918 5.952 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccc(F)cc2)c1 169972477 KXCZSPZCJKEFCG-QHCPKHFHSA-N 433.454 5.360 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(OC(C)C)cc2)c1 169977378 NXPLILRXILVASC-VWLOTQADSA-N 441.527 5.874 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cccc(OC(C)C)c1 169981267 YYRFJNAQQASMEL-HSZRJFAPSA-N 435.520 5.003 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccs1 169987017 USRUCMOLKBXWGS-IBGZPJMESA-N 427.884 5.632 30 10 IKEE CCCCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2ccccn2)cc1 169993526 XTPBINAZUBEGHX-RUZDIDTESA-N 440.543 5.824 30 10 IKEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccncc2)cc1 170015610 HWGGKNOYSAXWBK-VWLOTQADSA-N 449.510 5.084 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccncc1 170019398 NEHGWBHORJJBGH-JOCHJYFZSA-N 444.874 5.573 30 10 IKEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc(Cl)cc1)c1cccc2ccccc12 170058327 RMPSBWUEJBFEOF-WMZHIEFXSA-N 447.918 5.251 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@@H]2c2ccc(F)cc2)c1 170061635 LGIJPEOAIGLLDI-XMMPIXPASA-N 445.490 5.570 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccccc2F)cc1 170070114 NLXWBJREGKCEQB-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccco2)c1 170089553 MXCWPEXVWJXHIC-HSZRJFAPSA-N 447.487 5.168 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@@H]2c2ccco2)c1 170092446 HPTKKKNFEROPAR-HXUWFJFHSA-N 441.842 5.254 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2ccc(OC)cc2)cc1 170116351 CZSCBWJZPQUUQR-HSZRJFAPSA-N 437.536 5.253 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc(OC)c2)cc1C 170119381 GQFIEGCRHOPGFL-XMMPIXPASA-N 449.547 5.313 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1Cc1ccco1 170123438 WKQLHXUWYAWMKK-XMMPIXPASA-N 439.467 5.220 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1C1CCCCC1 170123722 POYIFVGTMSHQML-RUZDIDTESA-N 445.559 5.485 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(C(C)(C)C)cc1 170150242 OPZNIZNLPQVESZ-XMMPIXPASA-N 427.544 6.126 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccccn1 170181207 WLSWZEVSXJSKED-QHCPKHFHSA-N 436.552 5.193 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccncc2)c1 170205161 VKMQKNOEHPTLDE-DEOSSOPVSA-N 436.467 5.032 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@@H]1c1ccncc1 170210949 XUJWFFGMGYLEKS-QFIPXVFZSA-N 436.552 5.156 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(Cl)cc1 170236168 XITMTHZUPZBTIO-SFHVURJKSA-N 438.738 6.025 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccc(F)cc2)c1 170238801 JKJCHYVNFLLQCR-XMMPIXPASA-N 445.490 5.706 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(F)cc1 170242227 DCGSTHDNJGIQOF-QFIPXVFZSA-N 437.511 5.362 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccco1 170281831 SXISKJXBXUAVJU-LJQANCHMSA-N 441.842 5.172 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccco1 170288669 PGKLTYUCFRLJET-QHCPKHFHSA-N 443.886 6.178 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccco1 170293422 PCFJRZGGGJJDCH-LJQANCHMSA-N 429.900 5.161 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@@H]2c2ccc(C)o2)cc1 170303920 JSCZFEQARWTSRU-DEOSSOPVSA-N 445.515 5.775 30 10 IKEE COc1cccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(OCC(C)C)cc2)c1 170430311 XSOQWHRLHJFWFA-DEOSSOPVSA-N 437.536 5.245 30 10 IKEE CCOc1ccc(N=C2S/C(=C\c3cc(C)n(-c4ccccc4)c3C)C(=O)N2CC)cc1 252595876 CETBOSDRFADZJF-SIFMURAYSA-N 445.588 6.117 30 10 IKEE Oc1ccccc1C=Nc1cc2c3c(c1)[C@@H](c1ccccc1)CCN3CC[C@H]2c1ccccc1 254386177 BRGJIRDEULZHNL-MKPDMIMOSA-N 444.578 7.020 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)SC1=Nc1ccc(F)cc1 254394297 MJXLWSRHRRLPKK-UFDKDONYSA-N 436.464 5.408 30 10 IKEE COc1cc(C=NNc2ccc([N+](=O)[O-])cc2)ccc1OCCCOc1ccccc1C 254705604 DMCHLOMNJQQCDA-UHFFFAOYSA-N 435.480 5.206 30 10 IKEE Cc1ccc(C(=O)Nc2sc(=NN=Cc3ccccc3)n(C)c2-c2ccccc2)cc1 254813961 PVLYLXPPNYOSTE-UHFFFAOYSA-N 426.545 5.249 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Br)c(Cl)c1F 407151409 IFPATLSFDSBDOI-YOEHRIQHSA-N 449.792 5.752 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2c[nH]c3ccccc23)cc1 526516810 RUVSEIVDMNSVDA-SANMLTNESA-N 449.510 5.886 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc3ccccc23)cc1 526710302 MLQWZLGODZSUTH-AREMUKBSSA-N 449.506 6.021 30 10 IKEE CC(C)Oc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Cl)cc2)cc1 526710532 QDMXUSAFJVONIY-HSZRJFAPSA-N 447.918 5.910 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1cccc(Br)c1 526805462 MQSXXLGECSGSOH-UCQKPKSFSA-N 443.414 5.866 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccc(OC(C)(C)C)cc1 526821391 QETQFTFNXWEWKL-PKAZHMFMSA-N 444.604 6.346 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2cccc(OCc3ccccc3)c2)c1 698486742 QPEJWSPZXHEMLX-RUZDIDTESA-N 444.531 6.281 30 10 IKEE CCCCCCCCC[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 698490363 UBWVKGVTNFXUEC-HXUWFJFHSA-N 437.422 7.223 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCC[C@H](C(F)(F)F)C1 698491650 ZUWVOATXCRGKGA-UGSOOPFHSA-N 447.295 6.205 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 698876394 UGKOIABLNKSMKR-MHECFPHRSA-N 435.609 5.486 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2cc(Cl)ccc2Br)cc1 710726860 SJQKTMQQLSWITG-SFHVURJKSA-N 435.749 6.417 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(C)ccc(Br)c1F 721200502 QUTIBHNYVLUUMG-CRAIPNDOSA-N 429.374 5.407 30 10 IKEE CCCCCCCCCCCCOc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2N)cc1 725428944 RVKHBKCZOBFWCK-DQEYMECFSA-N 446.676 6.648 30 10 IKEE Cc1csc(N=C2S/C(=C\c3cn(C)c4ccccc34)C(=O)N2C2CCCCC2)n1 1772735186 FZOXDZJNYHOLIN-OBBBTXPFSA-N 436.606 5.880 30 10 IKEE O=C(O)c1cccc(N=C2S/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccccc2)c1 1772736559 MWOYWWDUQBMZJD-KHSCPFDSSA-N 445.456 5.102 30 10 IKEE CCOc1ccc(/C=C2/SC(=Nc3nc(-c4ccccc4)cs3)N(CC)C2=O)cc1 1772739938 WQEOIIPCQYXUJY-SKYIDQJDSA-N 435.574 5.833 30 10 IKEE N#Cc1ccccc1NC(=O)Oc1ccc(CNC(=O)c2ccc(Cl)c(Cl)c2)cc1 1858897229 OMNJSWYHAGOJHU-UHFFFAOYSA-N 440.286 5.406 30 10 IKEE CCCCCCCCCNC(=O)[C@@H](C)Oc1ccc2c3c(c(=O)oc2c1C)CCCC3 1860253684 MDMLAHFLNRLEOW-LJQANCHMSA-N 427.585 5.614 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccc(O)cc2)cc1C 1862400502 GIOBSZXZNCDHAP-DEOSSOPVSA-N 449.547 5.400 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccccc2F)cc1C 1862401771 JDMFCXXZUHOHPD-XMMPIXPASA-N 449.522 5.612 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2ccccc2)cc1OCCC 1862425193 RTCLBHNDTSLRAH-QHCPKHFHSA-N 437.536 5.253 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc(C)c1 1862429221 IRGCIDXXMGWEMY-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc2cc[nH]c2c1)c1ccccc1Cl 1862433030 SNPVPOOCQJERTO-HSZRJFAPSA-N 442.902 5.600 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(F)c1 1862444915 KAHXCIZYSGQQJY-RFVSGWPVSA-N 427.903 5.636 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2cccc(Cl)c2)cc1 1862476549 LUMLYYDLIWDNFH-UZUQRXQVSA-N 431.919 5.988 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(Cl)cc1 1862490680 AXCIFVDLJIRNTD-JOCHJYFZSA-N 425.956 6.115 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(Cl)cc1 1862502473 ARLZZMIZBFZRDG-OAQYLSRUSA-N 429.919 5.946 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(C)cc2)cc1 1862514530 JKJPRFFYYOTOEC-HSZRJFAPSA-N 447.556 5.624 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(C)cc1 1862580971 WHPNLJAKDMOILQ-OAQYLSRUSA-N 446.374 6.460 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862581387 GXUUSDABLAUGJQ-RNODOKPDSA-N 432.347 5.933 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862584599 CFZXLAUBIRLJKE-ZMZPIMSZSA-N 449.290 5.278 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(C(C)(C)C)cc1 1862651977 CXEAFMKYMRWHKJ-XMMPIXPASA-N 427.544 6.124 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2cccc(F)c2)cc1 1862662948 OBZZSVPKRWPRQA-RUZDIDTESA-N 443.518 5.770 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2cccc(C)c2)cc1 1862687086 GMEDXAJEQAHROL-HOYKHHGWSA-N 427.500 5.343 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc(C)c1 1862687868 QRYRKSPDXGEPCD-XUZZJYLKSA-N 435.564 5.941 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2ccc(C)cc2)c1 1862699360 TVLHGSOQYDOFGO-DEOSSOPVSA-N 427.500 5.091 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCCO)cc1 1862720213 SPAOJOPPYCNNCZ-XMMPIXPASA-N 443.543 5.098 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccc(F)cc2)=C(c2ccccc2F)C1=O 1863647886 CYKYZZIIYQQSCM-UHFFFAOYSA-N 426.507 5.195 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(F)c(C)c2)C(=O)N(C[C@H]2CCCO2)C1=O 1863787068 ZKORISSDCCOIDX-OAQYLSRUSA-N 444.591 5.123 30 10 IKEE CCc1cccc(OC2CCN(c3cc(Nc4ccccc4C#N)nc(CC)n3)CC2)c1 1868286591 ODJBYDORXRBVLS-UHFFFAOYSA-N 427.552 5.264 30 10 IKEE CCCc1nc(Nc2ccccc2C#N)cc(N2CCc3cc(C)ccc3[C@H]2CC(C)C)n1 1868397831 GTEBWOFNPMBYCZ-RUZDIDTESA-N 439.607 6.503 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](NC(=O)C[C@@H](CC(C)C)c1ccc(F)cc1)c1ccccc1 1868945564 DLVAKUMFXAMSRT-ZEQKJWHPSA-N 436.571 5.404 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3cc4ccc(C)cc4nc32)nc(-c2ccccc2)n1 1869193719 MTEWSFQKCVTVJQ-UHFFFAOYSA-N 433.559 5.873 30 10 IKEE CCCCCCCCCCn1cc(OCCCCCCC)c(=O)cc1CN(CC)CC 1870412016 VVGRBTODMGANMU-UHFFFAOYSA-N 434.709 7.180 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)OC(C)(C)C)c(=O)cc1CN1CCCC1 1870444823 VTWAZRMXHZARLN-UHFFFAOYSA-N 448.648 5.305 30 10 IKEE C=CCn1cc(OCc2ccc(C(C)C)cc2)c(=O)cc1CNc1ccc(Cl)c(C)c1 1870897645 LKZMSOVDTGXNDC-UHFFFAOYSA-N 436.983 6.311 30 10 IKEE C#CCOc1cn(CCCCCCCC)c(CNc2ccc(N(CC)CC)cc2)cc1=O 1871007176 PVCGDZWRAVPQMV-UHFFFAOYSA-N 437.628 5.679 30 10 IKEE CCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1cccc(Cl)c1C 1871254433 VYYCNZYGTFSULI-UHFFFAOYSA-N 449.982 6.063 30 10 IKEE CCN(CC)CCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1cccc(C)c1)C3=O 1871348263 AULMKJRSUJUWBA-JLPGSUDCSA-N 434.580 5.194 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3c(ccc4c3CN(C3CCCCCCC3)CO4)C2=O)c1 1871348433 FBTKQOYHHVJGCA-MYYYXRDXSA-N 449.547 5.585 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc(F)cc4)ccc3C2=O)cc1 1871365883 IWBKVACWUUDBCM-DTAINRSBSA-N 430.431 5.459 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OC(=O)CCc3ccc(Cl)cc3)cc(C)c2C1=O 1871368686 NZHYYVRNMHBDMQ-UCQKPKSFSA-N 432.903 6.111 30 10 IKEE O=C(CCCOc1ccccc1)Oc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O 1871371209 KNMUMDSBSBKLRX-HAHDFKILSA-N 434.875 5.721 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2sccc2C)C3=O)cc1 1871389816 POBRBFWHJSTYSV-STZFKDTASA-N 432.497 5.765 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871389832 QFGXVYNMGNJSSK-UCQKPKSFSA-N 432.859 5.740 30 10 IKEE O=C1/C(=C/c2cccc(F)c2)Oc2c1ccc(O)c2CN(C1CCCCC1)C1CCCCC1 1871393271 ZXFWHAIOQUUFJN-ONUIUJJFSA-N 449.566 6.615 30 10 IKEE CCCCN(CC)Cc1c(O)ccc2c1O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O 1871394617 HCUIWJAOIGILBD-NHDPSOOVSA-N 443.927 5.150 30 10 IKEE Cc1cc(OCCCc2ccccc2)cc2c1C(=O)/C(=C/c1ccc(Br)cc1)O2 1871399964 YBHFWTYSPXYNPQ-HAHDFKILSA-N 449.344 6.385 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871408513 WXFXDDNKFMHJBA-KSJDGYIASA-N 449.890 5.371 30 10 IKEE Cc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1sccc1C)C2=O 1871410331 YHRBPTYOUWKZFD-OJSPLJLUSA-N 433.529 5.696 30 10 IKEE Cc1c(OCCOc2ccc(Cl)cc2)ccc2c1O/C(=C\c1ccccc1Cl)C2=O 1871413121 UGALTPLJWQKOLD-HMAPJEAMSA-N 441.310 6.376 30 10 IKEE Cc1ccc(NC(=O)CCOc2cc(C)c3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871432913 RLMGUXIDAIVXOV-AJRXITOCSA-N 439.511 5.883 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccc(C#N)cc4)c3C)C2=O)cc1 1871436262 SIHUGXPUTQLENO-SMNNTEATSA-N 438.483 5.197 30 10 IKEE CCCCCCCCN=c1nc(N2CCC[C@@H](C)C2)[nH]c(=Nc2cccc3ccccc23)[nH]1 1871729599 KLCGCXVQCXDJNS-OAQYLSRUSA-N 446.643 5.621 30 10 IKEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1cccs1 1871819412 KULKFMZBKOHKSF-NRFANRHFSA-N 448.654 5.321 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1cccs1 1872556707 MRFGHUIJYHVNHY-HXUWFJFHSA-N 434.627 5.129 30 10 IKEE CC(C)c1ccccc1O[C@@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc3ccccc3c2)cs1 1872760073 GTRUQVYXXMCDHE-FDDCHVKYSA-N 440.568 6.730 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(Cl)c(C)c3)n2)cc1 1872768150 KTQGIAYZXPMGOM-GOSISDBHSA-N 426.925 5.426 30 10 IKEE N#C[C@@H](C(=O)/C=C/c1ccc(Cl)c(Cl)c1)c1nc(-c2ccc3c(c2)OCO3)cs1 1872773803 YOBCMJDIBOJLAM-IWZWCOEHSA-N 443.311 5.735 30 10 IKEE N#C[C@@H](C(=O)Cc1ccc(Cl)c(Cl)c1)c1nc(-c2cccc3ccccc23)cs1 1872775632 WCXQUVSACYLCGF-SFHVURJKSA-N 437.351 6.689 30 10 IKEE Cc1c([N+](=O)[O-])cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1[N+](=O)[O-] 1872787836 SNZUTUTZDODQKO-JTQLQIEISA-N 448.869 5.140 30 10 IKEE Cc1cc(OCc2nc3ccc(C(=O)Nc4ccccc4C#N)cc3[nH]2)cc(C)c1Cl 1872804650 DVFZZZDXLXNGMK-UHFFFAOYSA-N 430.895 5.536 30 10 IKEE CCCCCCCCNC1=C(c2ccc(-c3ccccc3)cc2)C(=O)N(CC(C)C)C1=O 1873088470 JFSJNDYHNITVNV-UHFFFAOYSA-N 432.608 6.040 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2C)C(=O)N(CCCOCCCC)C1=O 1873103979 JVHSWGJSQZWFHS-UHFFFAOYSA-N 428.617 5.232 30 10 IKEE C=CCN1C(=O)C(NC2CCCCCCCCCCC2)=C(c2cc(F)cc(F)c2)C1=O 1873111874 XHKPWPVQUUZMLN-UHFFFAOYSA-N 430.539 5.494 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccccc2OC)=C(c2cccnc2)C1=O 1873265368 GQBODLUDUMYCGO-UHFFFAOYSA-N 435.568 5.423 30 10 IKEE C=CCn1c(C(=O)NCCC2=CCCCC2)cc2c(N(CCCC)CCCC)ncnc21 1873595560 ISAZFVVQEMTEGB-UHFFFAOYSA-N 437.632 5.644 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccc(Br)cc3)c(=O)oc2c1 1873966123 OVOBQIGEZZXQTL-UHFFFAOYSA-N 442.309 5.000 30 10 IKEE CCSc1nnc(CCCOc2ccccc2)n1/N=C/c1c(OC)ccc2ccccc12 1874317103 WCKYSPVZIAUMGU-NLRVBDNBSA-N 446.576 5.446 30 10 IKEE COc1ccccc1/C=N/n1c(CCc2cccs2)nnc1SCc1ccc(C)cc1 1874369362 WZTXNSBIPMDEFS-PCLIKHOPSA-N 448.617 5.616 30 10 IKEE CSc1nnc(CCc2ccccc2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874397819 KWWODGRJJZEKLM-NLRVBDNBSA-N 428.561 5.246 30 10 IKEE Cc1ccsc1/C=N/n1c(CC2CCCCC2)nnc1SCc1ccc(F)cc1 1874406133 GYKLUFLTVKNXSN-ZVHZXABRSA-N 428.602 6.084 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(C(=O)O)cc1 1874440563 ICWXRDFMTLTYDS-ZMOGYAJESA-N 442.972 5.393 30 10 IKEE Cc1cccc(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2ccc(C(F)(F)F)cc2)c1 1874447615 HBBKAXGQSIGESI-JMJNUIHMSA-N 446.498 5.631 30 10 IKEE CCc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2c(F)cccc2Cl)cc1 1874493373 JBORLRSVKXCHMN-DHRITJCHSA-N 430.980 6.006 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C(C)C)cc1 1874515198 REWBTJKMHKWIRC-WPWMEQJKSA-N 444.604 6.518 30 10 IKEE Cc1cccc(C)c1NC(=O)CSc1nnc(C2CC2)n1/N=C/c1ccccc1Cl 1874519312 MSGYLKGGHYHOPV-WYMPLXKRSA-N 439.972 5.039 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccccc1Cl 1874575107 VYRCFLFPVXGTSC-PKNBQFBNSA-N 434.363 5.917 30 10 IKEE O=C(COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(Cl)cc1)NCc1ccco1 1874577523 SBABIMZPPSHWGJ-OUKQBFOZSA-N 445.902 5.678 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)c(C)c1 1874590171 WRCHVPDCIWMBKD-VQHVLOKHSA-N 425.355 7.394 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OCC(=O)Nc1ccccc1C 1874598540 QYBRMRARWQWERQ-YRNVUSSQSA-N 437.442 5.195 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2cccc(OCCc3ccccc3)c2)cc1Cl 1874599903 KCUJOSZDEWGZMD-ZHACJKMWSA-N 427.327 6.520 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OCc1ccccc1Cl 1874603902 KLBNITRKXHOREN-RVDMUPIBSA-N 446.974 7.093 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(Cl)c1OCc1ccc(C)cc1 1874605353 MVWYEODYWRPTKR-OUKQBFOZSA-N 436.935 6.531 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)c(Cl)c2)c(C)c1 1874615378 UZOIURFZPGDTNV-XEDBTPMOSA-N 447.962 6.109 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c([N+](=O)[O-])c2)c(C)c1 1874633967 DUNJUYPUKKRCJW-UXBLZVDNSA-N 435.907 6.649 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OC(=O)Cc1ccc(F)cc1 1875096079 VMCSHHMLIZDJTB-RIYZIHGNSA-N 440.470 6.032 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)cc3)cc2OC)cc1 1875115288 WFHIANGPONFDMC-VIZOYTHASA-N 446.499 5.147 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)[C@H](C)c1ccccc1 1875120063 ZTGGAFCVGYMNII-JRJUITNWSA-N 430.500 5.699 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)c1sccc1C 1875121580 WXYMYGSLECKJAG-BQYQJAHWSA-N 442.920 5.842 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)Cc1cccs1 1875123063 UUIGFWVKKOQIFD-BJMVGYQFSA-N 442.920 5.463 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)cc3F)c(Cl)c2)cc1 1875133454 VOSMZJMQZGSKQL-ONNFQVAWSA-N 426.846 5.971 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)CC(C)(C)C)c(OC)c2)c(C)c1C 1875168160 VUBIYXZBBSNCHU-CSKARUKUSA-N 444.955 6.212 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2ccc(OC(=O)CC(C)(C)C)c(OC)c2)cc1Cl 1875176029 SKJPLMWGGTXKSG-VQHVLOKHSA-N 446.927 5.604 30 10 IKEE CCCC[Sn](CCCC)(CCCC)c1cnc(C2CC2)cc1C#N 1885687626 MYZHTDADOATZTC-UHFFFAOYSA-N 433.228 5.887 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)CCc3ccc(C(F)(F)F)cc3)ccc21 1890620342 HFVFVEVJROWHFR-UHFFFAOYSA-N 446.469 5.214 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CC[C@H](C2CC2)N1C(=O)OC(C)(C)C 1922091852 NESWFBOHCOZAKD-SGNDLWITSA-N 428.617 5.306 30 10 IKEE CCCCCCC[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)C(=O)O 1927449158 FGQXDJLQFGJKMM-PPHZAIPVSA-N 437.580 6.365 30 10 IKEE CC[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)CN1Cc1ccccc1 1942581099 QFKBKLQBHJSHNA-NLFFAJNJSA-N 439.987 6.028 30 10 IKEE CC1(C)C[C@@H]([C@@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C1 1945903308 XTVDNZVXKKMZLM-ZWKOTPCHSA-N 449.617 5.413 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CN(C(=O)OC(C)(C)C)CC1(C)C 1996502582 CTNMPIYQPBINRA-XMMPIXPASA-N 429.561 5.276 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@]1(C#N)CC[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C1 2001955984 OBXUIGXCGOIEJR-AXHZCLLHSA-N 435.609 5.341 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2c(F)cccc2Cl)o1 2033813060 FSCLNTROJQQVJN-SFHVURJKSA-N 431.872 5.221 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CC[C@H](C)C[C@H]2OCc2ccccc2)cc1 2043779050 ZUUXYLXRCOITJP-WBWMCNGVSA-N 434.580 6.404 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2046018757 KLQLDNPXNFYFJA-YUIYBGGXSA-N 445.535 5.153 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@]2(CC[C@@]2(C#N)N(C(=O)OC(C)(C)C)c2ccccc2)C1 2066137755 DKZPHIRVPCUSDN-RPBOFIJWSA-N 441.572 5.502 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)CC12CCCC2 2074132807 DZVURUOVYCKEGL-QFIPXVFZSA-N 448.568 5.140 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCCCC[C@H]1Nc1cc(Br)c(C#N)cc1F 2106037951 HDYGYHOXEQCPAE-CVEARBPZSA-N 426.330 5.098 30 10 IKEE CCN[C@H](CC#C[Si](C)(C)C)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2130925200 MVDGXEVYNRKCFG-GOSISDBHSA-N 439.470 5.718 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@@H]2Nc2ccc(Br)cc2C#N)C1 2156236684 NAYXPKNEAQDNRU-RXVVDRJESA-N 434.378 5.302 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(C)ccc(Br)c1F 2159120519 ILMDODOKNWQHTE-APWZRJJASA-N 441.385 5.244 30 10 IKEE CN(Cc1cc(Br)ccc1Cl)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2166769398 RAVKZYVUFBBRNG-UHFFFAOYSA-N 436.586 5.038 30 10 IKEE C=CCCCCCCC[C@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)NC 2214620208 XNHKTKZUUYOOAI-XMMPIXPASA-N 431.665 5.518 30 10 IKEE C=C(Cl)C[C@H](NCCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2229115932 IQDDUZGUZJMXIH-ROUUACIJSA-N 445.829 5.396 30 10 IKEE C#CCCC[C@@H](NCCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237401400 XAPBJFMIKDSGKY-UXHICEINSA-N 437.422 5.057 30 10 IKEE CC(C)(C)CN(Cc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(Cl)c1 2255542007 LOOODNHUKNOFQM-UHFFFAOYSA-N 441.808 5.328 30 10 IKEE C=CCCC1([C@@H](NCC)c2scc(Br)c2C)CN(C(=O)OC(C)(C)C)C1 2266310971 VMQXRXQZOJWXBW-KRWDZBQOSA-N 443.451 5.673 30 10 IKEE CC1(C)OB(c2sccc2C(=O)Nc2c(Cl)cc(Cl)cc2Cl)OC1(C)C 2282015477 XVENYQLLPKEWLY-UHFFFAOYSA-N 432.565 5.260 30 10 IKEE CCCCCCCCC=CCCCCCCCC(=O)N=C1CC(=O)N(c2ccccc2)N1 2293344067 KIZIRRWZTGNUCT-UHFFFAOYSA-N 439.644 6.891 30 10 IKEE C=CCN1C(=O)C(=Cc2cc(Cl)ccc2OCCOc2ccc(C)cc2)SC1=S 2293531499 QXFNKSZJMXWNEQ-UHFFFAOYSA-N 445.993 5.493 30 10 IKEE CCOc1c(Br)cc(C=C2SC(=Nc3ccccc3C)NC2=O)cc1OC 2294009800 BCTYUNKGZWFLNH-UHFFFAOYSA-N 447.354 5.056 30 10 IKEE CN[C@H](C#Cc1ccc(Br)cc1)[C@H](CCC(C)(C)C)NC(=O)OC(C)(C)C 2296297981 FKKSNLFGMKLUGO-MOPGFXCFSA-N 437.422 5.108 30 10 IKEE CCc1ccccc1N=C1SC(=Cc2ccc(C)cc2)C(=O)N1c1ccccc1CC 2297455916 VXHMWLUKQHOKRS-UHFFFAOYSA-N 426.585 6.928 30 10 IKEE COc1c2c(cc3c1[C@@H](CC(C=C[C@@H]1C(C)=CCCC1(C)C)=NO)N(C)CC3)OCO2 2297731148 SVSPODGIYWQUSW-WOJBJXKFSA-N 426.557 5.112 30 10 IKEE CC[C@]1(C)N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2300008224 SCRZKBNEQXJRJU-BJKOFHAPSA-N 435.609 5.628 30 10 IKEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CCC(F)(F)C[C@H]1OCc1ccccc1 2305322839 PFWYJRRQGLNHQN-RCZVLFRGSA-N 429.507 5.293 30 10 IKEE Cc1ccccc1N=C1NC(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)S1 2313514076 XJBQCMMZLVEPGN-UHFFFAOYSA-N 439.880 5.708 30 10 IKEE CN1C(=O)C(=Cc2cccc(OCc3ccc(Cl)cc3)c2)SC1=Nc1cccnc1 2314541280 IYNXXYVDQKBJGB-UHFFFAOYSA-N 435.936 5.548 30 10 IKEE CC(=Cc1ccccc1)C=C1SC(=NN=Cc2ccc(F)cc2)N(Cc2ccco2)C1=O 2314819160 UJKPMUGWBHKUAV-UHFFFAOYSA-N 445.519 5.872 30 10 IKEE COc1ccc(C=Nn2c(S)nnc2CC(C)(C)C)cc1OCc1ccc(Cl)cc1 2321937327 ZGTBWLLREQUQJK-UHFFFAOYSA-N 444.988 5.279 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3c(ccc4c3CN(Cc3ccc(F)cc3)CO4)C2=O)cc1 2322051938 FGIIFEPHGFSSFG-UHFFFAOYSA-N 443.518 6.092 30 10 IKEE Cc1cccc(C=C2Oc3c(cc4c(c3C)OCN(CCOc3ccccc3)C4)C2=O)c1 2322339019 FYKJCTUTJHQATF-UHFFFAOYSA-N 427.500 5.151 30 10 IKEE CCN(CC)C(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccc(OC)c(OC)c1 2322348109 DCVXAOPCRYLQIE-UHFFFAOYSA-N 447.531 5.000 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1c(F)cccc1Cl)c1ccc2c(c1)OCO2 2322698897 VABITSIQZKWUFY-UHFFFAOYSA-N 445.273 6.336 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cc(Cl)ccc2OCc2ccccc2Cl)c(C)c1 2322948978 GPZCGROECAPXJU-UHFFFAOYSA-N 425.355 7.394 30 10 IKEE CCN(CC)C(=O)COc1ccccc1C=CC(=O)c1cc(Cl)c(OC)c(Cl)c1 2322969205 RDSZFDRNWKSZBU-UHFFFAOYSA-N 436.335 5.145 30 10 IKEE CCCOc1c(OC)ccc(C=CC(=O)c2ccc(Cl)cc2Cl)c1Br 2323073192 WNUNKPZJBYNOPU-UHFFFAOYSA-N 444.152 6.449 30 10 IKEE CCCN(CCC)C(=O)COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC 2323203474 OSBGDSVFJRWFID-UHFFFAOYSA-N 437.580 5.742 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc(OC(=O)C=Cc3cccs3)c2C)C1=O 2323530656 VMCVCXINYAJNRN-UHFFFAOYSA-N 432.497 5.690 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCc3cccc(C)c3)c([N+](=O)[O-])c2)cc1 2323540629 DJJVACUEDDRQDZ-UHFFFAOYSA-N 429.516 6.721 30 10 IKEE CC(C)(Oc1ccc(Cl)cc1)C(=O)Oc1ccc2c(c1)OC(=Cc1cccnc1)C2=O 2323702552 UDJYGCPKSGPVJK-UHFFFAOYSA-N 435.863 5.114 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccccc3)cc2[N+](=O)[O-])c(C)c1 2323812606 JWNPMRHWIIYJOM-UHFFFAOYSA-N 430.460 5.125 30 10 IKEE CCOc1cc(C=NNc2nc(-c3ccc(C)cc3)cs2)cc(Cl)c1OC(C)C 2323865594 XCVAXZFAIMYOOL-UHFFFAOYSA-N 429.973 6.404 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1Cl 2323895878 FHZJQFKKKIKWLU-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE CC(C)C(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2F)C3=O)c1 2323908845 CPOZYVDFDDCCNA-UHFFFAOYSA-N 446.430 5.223 30 10 IKEE C=CCN(CC=C)Cc1c(O)cc(C)c2c1OC(=Cc1ccc(Br)cc1)C2=O 2324082580 NTMICDBHOQQGBO-UHFFFAOYSA-N 440.337 5.253 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(OC)c1OCc1ccccc1Cl 2324241235 CCYUPCWPIXMTGM-UHFFFAOYSA-N 444.861 6.111 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OCCc1ccccc1 2324455670 DXBXEYDBZBFKII-UHFFFAOYSA-N 426.556 6.558 30 10 IKEE N#C[C@H](C(=O)C=Cc1ccc(Cl)cc1Cl)c1nc(-c2ccc(F)cc2F)cs1 2324465065 UXDMJYMYXZBCAY-OAHLLOKOSA-N 435.282 6.285 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OCc1ccccc1 2324561108 RRCWFPONLMNALZ-UHFFFAOYSA-N 434.963 7.139 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OCc3ccc(C(=O)OC(C)C)cc3)cc(C)c2C1=O 2324608462 VCZZVOHRHDXYJW-UHFFFAOYSA-N 442.511 6.064 30 10 IKEE COc1cc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(C)c(C)c3)cs2)ccc1OC(C)=O 2324756607 RHVWUNZKJIKCTP-HXUWFJFHSA-N 446.528 5.251 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccccc1F)C2=O 2325141992 MJJZZIYKJGQBHC-GOSISDBHSA-N 445.490 5.773 30 10 IKEE CCCCCCCCCOc1cc(C)c2c(c1)OC(=Cc1ccc(OC)cc1OC)C2=O 2325185353 SZMFLXGGXJUBRO-UHFFFAOYSA-N 438.564 6.758 30 10 IKEE CCOC(=O)c1sc(NC(=O)C(=Cc2ccc(OC)cc2)c2ccccc2)c(C#N)c1C 2325345467 NYJPIIKFWQMCSL-UHFFFAOYSA-N 446.528 5.293 30 10 IKEE CC(C)OC(=O)c1ccc(COc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)o1 2325385221 UUAQMFKCVCQSFZ-UHFFFAOYSA-N 438.863 5.693 30 10 IKEE COc1ccccc1C=Nn1c(Cc2ccccc2)nnc1SCc1cccc(C)c1 2325471329 DRIYEEGFJHFZAH-UHFFFAOYSA-N 428.561 5.360 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3cccc(C=CC(=O)c4cccc([N+](=O)[O-])c4)c3)c(C)c2c1 2325690524 PLOFLEOYLDRHAG-UHFFFAOYSA-N 440.455 5.808 30 10 IKEE COc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C)c(Cl)c4)ccc3C2=O)cc1 2325728881 WBRVKPKPTQOJMB-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE CCCc1ccc(OCC(=O)Oc2cc(C=CC(=O)c3ccccc3)ccc2OC)cc1 2325731176 COUJFBLTGGWZOF-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccccc3)c2)cc1 2325738829 RBVLXLMEWQHGCV-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2OC)cc1OC(=O)c1cccc(Cl)c1 2325742952 WQLBWCPXWCKDJE-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE CCCCCCOc1ccc(C=Nn2c(C)nnc2SCc2ccccc2)cc1OC 2326211874 XJJDKFUMMPVGFW-UHFFFAOYSA-N 438.597 5.729 30 10 IKEE CCCCOc1ccc(C=Nn2c(CCC)nnc2SCc2ccc(C)cc2C)cc1 2326446322 LFVQDYQLMWTIHW-UHFFFAOYSA-N 436.625 6.201 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1cccc(OCC)c1O 2326638866 HPYPFTYJSRZZGE-UHFFFAOYSA-N 446.576 5.663 30 10 IKEE CCc1nnc(SCc2ccc(C(=O)OC)cc2)n1N=Cc1ccc(Cl)cc1Cl 2326793701 FZQVWYMYSUWRQN-UHFFFAOYSA-N 449.363 5.108 30 10 IKEE CCCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1c[nH]c2ccccc12 2327026499 MIUOOODMJXEFMH-UHFFFAOYSA-N 433.581 5.464 30 10 IKEE Fc1ccccc1CSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccc[nH]1 2327557944 PKOGLCMBOSIGBJ-UHFFFAOYSA-N 441.919 5.152 30 10 IKEE COc1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCCc2ccccc2)cc1 2329848852 LAQKPYOMVSTATH-UHFFFAOYSA-N 446.551 5.234 30 10 IKEE Cc1ccc(O)c(C=Nn2c(COc3ccccc3)nnc2SCc2ccccc2)c1 2329918668 GZYJORRQJXVEEY-UHFFFAOYSA-N 430.533 5.046 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@H](C)c3ccccc3)n2N=Cc2ccccc2)c1 2330110228 AMAPLCVATYGAGY-OAQYLSRUSA-N 426.589 6.221 30 10 IKEE Clc1ccc(CSc2nnc(CC3CCCCC3)n2N=Cc2ccco2)cc1Cl 2330296203 UTUSJUIXRZKYDW-UHFFFAOYSA-N 449.407 6.475 30 10 IKEE C(=Nn1c(SCc2cccc3ccccc23)nnc1-c1cccs1)c1cccs1 2330596261 LFEKHWRWRPVMLB-UHFFFAOYSA-N 432.599 6.396 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)[C@H](C)c2ccccc2)c([N+](=O)[O-])c1 2331069314 ZZRJSHFUDNSLJK-QGZVFWFLSA-N 431.444 5.209 30 10 IKEE COc1ccc(OC)c(C=Nn2c(SCc3ccccc3F)nnc2C2CCCC2)c1 2331071756 OFMKJLBQPSHHSF-UHFFFAOYSA-N 440.544 5.267 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CCCC2)cc1 2331087194 BQVUUIJRQRJKCL-UHFFFAOYSA-N 439.028 6.887 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccco2)n1N=Cc1c(Cl)cccc1Cl 2331175152 VPTIJEXYWBEYFZ-UHFFFAOYSA-N 443.359 6.328 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)c1ccccn1 2331340460 FRHASASAHFGBMI-UHFFFAOYSA-N 439.870 5.697 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccc(F)cc1 2331421671 IQQHYHLYJNOEPJ-UHFFFAOYSA-N 446.518 6.637 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)c(F)c3F)cc2)cc1F 2331451346 UJIUEYQEOHCDBI-UHFFFAOYSA-N 430.353 5.367 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(F)c2)ccc1OC(=O)c1sccc1C 2331462762 NLJJOTJIOAGXNP-UHFFFAOYSA-N 440.492 5.718 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc(F)cc1F 2331662051 VQHDOTPLTXCUMJ-UHFFFAOYSA-N 441.334 5.990 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)c(OC)c1 2331717098 POAQMQPRJURKKP-UHFFFAOYSA-N 438.479 5.972 30 10 IKEE CO[C@@]1(C)C[C@@H]2C[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2356220615 XOUSCIQRPDEWQL-PBFVBANWSA-N 435.362 5.288 30 10 IKEE C=CCN(CC[C@@H](NCCC)c1cc(Br)ccc1OC)C(=O)OC(C)(C)C 2364627692 ZJVWEACUOHVOLZ-GOSISDBHSA-N 441.410 5.312 30 10 IKEE CC1(C)OB(C=Cc2ccc(Oc3cc(Cl)cc(Br)c3)nc2)OC1(C)C 2365135296 ONRARQPRKPAXLE-UHFFFAOYSA-N 436.542 5.934 30 10 IKEE Cc1cc(CSc2ccc(Br)cc2C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369736089 VHCPFOVZENTITI-UHFFFAOYSA-N 433.220 5.657 30 10 IKEE C=CCn1c(COc2ccc3c(c2)CCCC3)nnc1S[C@@H](C)C(=O)Nc1ccccc1 17973129 AGKGWKIGGQLAOE-SFHVURJKSA-N 448.592 5.041 30 10 IKEE CCCCOc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(OC(C)C)cc1)C2 21246698 OUASMXLGAJHLGT-NZQKXSOJSA-N 447.575 5.657 30 10 IKEE Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)NC2CCCC2)cc1 21722113 RSGYACKTUAFCNT-AREMUKBSSA-N 443.591 6.264 30 10 IKEE C[C@H]1CCc2c(C#N)c(NC(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)sc(=S)c2C1 41017928 RBJBHXORDYBTEH-LSDHHAIUSA-N 440.634 6.178 30 10 IKEE CCn1cc(/C=C2\Oc3c(ccc(OCc4cccc(F)c4)c3C)C2=O)c2ccccc21 41509621 GQSDRFHUCJXGGS-QFEZKATASA-N 427.475 6.304 30 10 IKEE CCOC(=O)[C@@H](C)Sc1n[nH]c(N/N=C/c2ccc3ccc4cccc5ccc2c3c45)n1 59310318 NRKNBMMCXZZPOH-AZRQGOPLSA-N 443.532 5.192 30 10 IKEE CCCCCCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(Cl)cc1 101285106 NCCJNVWWEFQHKA-QHCPKHFHSA-N 437.971 6.492 30 10 IKEE Cc1cccc(NC(=O)C[C@H]2S/C(=N/c3ccccc3)N(CCc3ccccc3)C2=O)c1 101656053 DBYDZGCAIPUUFW-ZKZPFDSASA-N 443.572 5.198 30 10 IKEE Cc1cc(C)cc(N/C=C\c2nc3c(c(-c4ccccc4F)c2C#N)C(=O)c2ccccc2-3)c1 102655550 YVRRLGLZKDJPAI-QXMHVHEDSA-N 445.497 6.670 30 10 IKEE COc1cc(/C=N\S(=O)(=O)c2ccc(C)cc2)ccc1OCc1cccc(Cl)c1 169908902 XPWFPBMOLWDINI-OYKKKHCWSA-N 429.925 5.044 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 169925491 MYVMNVJHQUZNPI-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccccc2C)cc1 169926514 DQMGOOZGYBTQNJ-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE CCCN1C(=S)N[C@@H](c2cccc(OCc3ccccc3Cl)c2)C2=C1CCCC2=O 169930144 RJIAUFHTUHKPPJ-QHCPKHFHSA-N 440.996 5.567 30 10 IKEE CN1C(=S)N[C@H](c2ccccc2OCc2ccc(Cl)cc2Cl)C2=C1CCCC2=O 169936913 TZLSRWACCGEAAQ-OAQYLSRUSA-N 447.387 5.441 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccc(O)cc2)cc1 169959172 KPEKAKXIQURBEC-XMMPIXPASA-N 438.483 5.219 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(O)cc1)c1cc2ccccc2o1 169964469 XNLOCDFABKHIDE-QHCPKHFHSA-N 443.430 5.056 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2cccnc2)cc1 170002723 HZSLHAJNPFCMFB-SANMLTNESA-N 448.522 6.141 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccccc2C)c(C)c1 170087976 FLZKEGGRDWPCGT-QHCPKHFHSA-N 449.453 5.373 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2ccco2)c1 170093881 WTFYXOXJVGNAQB-FQEVSTJZSA-N 441.405 5.698 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)[C@@H]2c2ccco2)cc1 170094925 MSNJCDWVGXXTIK-HSZRJFAPSA-N 431.488 5.412 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@H]2c2sccc2C)c1 170105152 ZFVPSFLLRKINRR-NRFANRHFSA-N 449.528 5.165 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2sccc2C)cc1 170106684 DVNRBJMCWJCEKS-IBGZPJMESA-N 439.920 5.501 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(OC)cc2)cc1C 170117132 HWELPIHHCCBCOI-XMMPIXPASA-N 449.547 5.313 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccc(O)cc2)cc1C 170132137 SWSRNYPXYOISLS-XMMPIXPASA-N 443.499 5.191 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2cccs2)ccc1OC(C)C 170157453 FJAXAKYJQMENLQ-QFIPXVFZSA-N 449.528 5.332 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2OC)[C@@H]1c1ccc(OCC(C)C)cc1 170167383 ZOTGGJIVFVREJQ-QHCPKHFHSA-N 437.536 5.027 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccncc1 170209226 JRQHZXCFBUDTSB-QHCPKHFHSA-N 448.563 5.299 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1ccc(O)c(Cl)c1 170220212 QKWFPCIHHYSPBW-OAQYLSRUSA-N 441.955 5.640 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(F)c4)[C@H]3c3ccccc3)oc12 170222888 VWTKTXMLTYBRGA-QFIPXVFZSA-N 443.430 5.363 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccco1)c1ccc2c(c1)CCCC2 170296055 KPCXVSWDQFNHRS-QHCPKHFHSA-N 431.463 5.076 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1c(C)[nH]c2ccccc12 170312000 KIFONIUOCJVJCU-HSZRJFAPSA-N 432.520 5.172 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1c1ccccc1 170314907 FIOAJMUFHXUHCL-JOCHJYFZSA-N 425.509 5.993 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2OCC)[C@H]1c1sccc1C 170318666 UUKSPFACQWZMKV-FQEVSTJZSA-N 443.565 5.232 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(OCC(C)C)cc2)c1 170344844 OQQZVRJYOLHBSZ-QHCPKHFHSA-N 431.488 5.406 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1cccc2ccccc12)c1ccco1 170369702 JWRUYGFVVNVRTF-JOCHJYFZSA-N 431.394 5.494 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2nc3ccc(C(C)C)cc3s2)c1 170462458 OZBPUVJDPCJRAX-OAQYLSRUSA-N 434.561 5.853 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1Cl 170469997 QTFZWKGOUKEKDC-OAQYLSRUSA-N 425.956 6.071 30 10 IKEE CC(C)(C)c1ccc(/C=N/N=C2/S/C(=C/c3cccnc3)C(=O)N2Cc2ccco2)cc1 210541336 PJNOLZRIJFFJPP-LYPPLLESSA-N 444.560 5.479 30 10 IKEE N#Cc1ccc(Br)cc1NCc1ccc(Br)c(Br)c1 232476635 MODZNAGYFFSDBK-UHFFFAOYSA-N 444.952 5.458 30 10 IKEE COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=Nc3ccccc3)N(C)C2=O)o1 252623720 OXUQISYJXBUFNT-FTEWTSQZSA-N 435.461 5.097 30 10 IKEE C=CCN=c1scc(-c2ccc(-c3ccccc3)cc2)n1NC(=O)Nc1ccccc1 254409771 RTWIZDYABLYMER-UHFFFAOYSA-N 426.545 5.746 30 10 IKEE CC(C)Cc1ccc(S(=O)(=O)NN=Cc2cn(Cc3ccccc3)c3ccccc23)cc1 254843737 LXAPIBVDKDUBHI-UHFFFAOYSA-N 445.588 5.201 30 10 IKEE Cc1cc([N+](=O)[O-])c(C)cc1-c1ccc(C=Nc2c(-c3ccco3)nc3ccccn23)o1 254851714 OIPJDCSZNVUBDF-UHFFFAOYSA-N 426.432 6.130 30 10 IKEE Cc1ccc(N=C2S/C(=C\c3ccc(N(C)C)cc3)C(=O)N2c2ccc(C)cc2)cc1 254865675 JREWQHTZTNRSCL-SIFMURAYSA-N 427.573 6.178 30 10 IKEE N#Cc1c(Cl)cccc1Nc1ccc(I)c(Br)c1 306065681 YAVSAOKIANMDRD-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3cccc4ccccc34)[C@@H]2c2ccc(Cl)cc2)cc1 526489939 BVHDMANLRQPKMV-VWLOTQADSA-N 436.898 6.422 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccc(Cl)c2)c(OC)c1 526491843 XYBYDSBELOWAGN-QHCPKHFHSA-N 446.890 5.286 30 10 IKEE COc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccc(C)cc2C)cc1 526812495 XZSKKJLJDXAJPH-PKAZHMFMSA-N 442.588 5.669 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1cccc(Cl)c1Cl 526818963 JGEBAWVFBLLEAM-MXAYSNPKSA-N 447.435 6.719 30 10 IKEE FC(F)(F)Sc1cc(I)cc(C(F)(F)F)c1C(F)(F)F 575340594 PMTVUGAZZPXKLY-UHFFFAOYSA-N 440.068 5.941 30 10 IKEE N#Cc1cc(Br)ccc1Nc1cc(Cl)ccc1I 690211552 GKCAWZBJOQSFGV-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE CC(C)(C)OC(=O)N1CCC([C@](C)(C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)CC1 698380645 ZTTWSVFLFFMDED-VWLOTQADSA-N 443.588 5.353 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@H](C#N)c1ccc(Cl)c(Br)c1 698833714 VFZDRLQNKTVMGA-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@H](C#N)c1ccc(Br)s1 698901626 KDTNFRVHHXGVBZ-CYBMUJFWSA-N 427.751 6.170 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@]1(C#N)CCc2ccc(Br)cc21 698906278 YETNBPQNHDOZRS-NRFANRHFSA-N 447.760 6.209 30 10 IKEE C=CC[C@@H](C)[C@@H](NCCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 715762570 RFNFCEXVGGHWLV-FYYLOGMGSA-N 429.649 5.126 30 10 IKEE CCC(C)=NNc1nc2cc(C)c(NC(=O)c3ccc(OC)c(Cl)c3)c(C)c2s1 1081377948 KXYJAMVQCBIQOU-UHFFFAOYSA-N 430.961 6.025 30 10 IKEE COc1ccccc1C/N=C(/Nc1cc(-c2ccccc2)ccc1O)N1C[C@@H](C)C[C@@H](C)C1 1088684504 ZZAWXQOSWPQKPE-OYRHEFFESA-N 443.591 6.014 30 10 IKEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCCC(C)(C)C 1689842280 XNXKKUZPCRQIDY-OAHLLOKOSA-N 433.394 5.000 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3ccccc3)o2)SC1=Nc1ccc(OCC)cc1 1772725123 YGQAKRRBEDEGJF-SUOSWRNOSA-N 430.529 6.135 30 10 IKEE Cc1ccccc1C[C@H]1SC(=Nc2ccc(C(=O)O)cc2)N(CCc2ccccc2)C1=O 1772728240 ZHBUQMXLVIGPOM-HSZRJFAPSA-N 444.556 5.110 30 10 IKEE Cc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=S)Nc1ccccc1)CCC2 1772750500 VFUBHFRFSDYBAX-UHFFFAOYSA-N 432.549 5.176 30 10 IKEE Cc1ccc(NC(=S)N/N=C\c2cn(-c3ccccc3F)nc2-c2cccs2)cc1 1857810347 CLHOHYNRYBXMKJ-CFRMEGHHSA-N 435.553 5.369 30 10 IKEE CCc1ccc(CCC(=O)Nc2c(C#N)cnn2-c2cc(C)c3cc(C)cc(C)c3n2)cc1 1859657009 NKPJBEPNAPGLJO-UHFFFAOYSA-N 437.547 5.351 30 10 IKEE CCOc1ccc(CC(=O)Nc2cc(NC(=O)c3cccc(C#N)c3)ccc2Cl)cc1 1860461813 SXDFEHMCIDBVGY-UHFFFAOYSA-N 433.895 5.044 30 10 IKEE O=C(CCNCc1ccc(F)cc1F)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1860711541 AQNQURMGUFKCFY-UHFFFAOYSA-N 426.307 5.121 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)Cc1cc(OC)ccc1Cl 1860978431 JZRCJGPEHCKMLE-OAQYLSRUSA-N 425.013 5.043 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)c1ccc2nc(CCC)[nH]c2c1 1861453340 HSOYYDQCQQPIHY-JOCHJYFZSA-N 442.648 5.671 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)/C=C/c1cccc(Cl)c1 1861548111 IFNROVUIUIRKNK-GQRCBVMOSA-N 441.015 5.557 30 10 IKEE O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CCCN(Cc2ccccc2F)C1 1861858169 GHXHJKDQQHZHRN-CQSZACIVSA-N 448.382 5.714 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(F)cc1)c1cccc(Br)c1 1862524472 GCHMKACUFFSVTC-IBGZPJMESA-N 444.300 5.109 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc(O)c2)cc1 1862613629 LQHVKHWAMDGJHV-QHCPKHFHSA-N 433.548 5.601 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(OC)cc1 1862618819 YZGYDQOBVFJAES-XMMPIXPASA-N 449.591 6.151 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCCO)cc1 1862651736 BPXHXKZGZXPGJU-DEOSSOPVSA-N 443.543 5.098 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc3cc[nH]c3c2)c1 1862702111 VBVBGDXOJHKPDY-OAEOJWKDSA-N 444.531 5.334 30 10 IKEE O=C(C1=C(O)C(=O)N(CCOc2ccccc2)[C@@H]1c1ccccc1)c1ccc2ccccc2c1 1862712968 DWTSGRXKFGHZQA-AREMUKBSSA-N 449.506 5.497 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(Cl)cc2)C1=O 1863173449 KZLFYLCVQRJXDK-MRXNPFEDSA-N 427.891 5.165 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCCc2ccccc2)=C(c2ccc(C)cc2)C1=O 1863621033 BZXIEABPYGSVHJ-UHFFFAOYSA-N 446.635 6.048 30 10 IKEE CCCCCCCCNC1=C(c2ccc(OC(C)C)cc2)C(=O)N(Cc2ccncc2)C1=O 1863690645 UMGJASPEULDMBP-UHFFFAOYSA-N 449.595 5.099 30 10 IKEE CCC[C@@H](NC(=O)[C@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1ccccc1C#N 1866990465 JAQPNDCEHLWXGI-RTWAWAEBSA-N 446.378 5.528 30 10 IKEE Cc1ccccc1-c1nc(Nc2ccc(C#N)cc2)cc(N2CCc3ccc([N+](=O)[O-])cc32)n1 1868311190 LXEBOWGSFUTPDB-UHFFFAOYSA-N 448.486 5.670 30 10 IKEE CCCCCCCOc1cn(CCc2nc(-c3ccc(OC)cc3)cs2)c(C)cc1=O 1870093941 YBIXVPBMAUOIIO-UHFFFAOYSA-N 440.609 5.881 30 10 IKEE CCCCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CN1C[C@H](C)C[C@@H](C)C1 1870353035 NFMZWYWBGOIGHO-JWQCQUIFSA-N 446.720 6.892 30 10 IKEE CCCCCCCCn1cc(OCCCCCCC)c(=O)cc1CN1C[C@H](C)O[C@H](C)C1 1870413252 XAVBQDYFJBXFNF-PSWAGMNNSA-N 448.692 6.167 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OC(C)(C)C)c(=O)cc1CN1CCC[C@H](C)C1 1870446021 QOSVPMVCAGNPDH-NRFANRHFSA-N 448.648 5.161 30 10 IKEE C=CCn1cc(OCc2cccc(OC)c2)c(=O)cc1CN(CCCC)CCCCCC 1870606225 DTEUGDLEOXUYAF-UHFFFAOYSA-N 440.628 5.804 30 10 IKEE CCCCCCCCCCn1cc(OCCO)c(=O)cc1CNc1ccc(C)c(F)c1 1870791834 OUIHCDJENIVLAC-UHFFFAOYSA-N 432.580 5.420 30 10 IKEE C=CCn1cc(OCc2cccc(Cl)c2)c(=O)cc1CNc1cccc(C(F)(F)F)c1 1870827909 WLGANGVJRBLXPZ-UHFFFAOYSA-N 448.872 5.898 30 10 IKEE O=C1/C(=C/c2ccc(-c3ccccc3)cc2)Oc2c1ccc1c2CN(CCc2cnc[nH]2)CO1 1871347424 XGABXULLUFQRLS-WGARJPEWSA-N 449.510 5.088 30 10 IKEE CCCCC[C@H](CC)N1COc2ccc3c(c2C1)O/C(=C\c1ccc([N+](=O)[O-])cc1)C3=O 1871347526 FFYXTIPVWQPKAH-PVFDWLMNSA-N 436.508 5.722 30 10 IKEE COc1ccc([C@@H](C)N2COc3c(cc4c(c3C)O/C(=C\c3ccc(F)cc3)C4=O)C2)cc1 1871359614 SKPKCMCTZNYNEM-SAMUYDCASA-N 445.490 5.672 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2)C3=O)cc1Cl 1871402183 RTNHYTIUZMRXLP-GGNAWJQTSA-N 433.891 5.671 30 10 IKEE Cc1ccc(OCCCCOc2ccc3c(c2C)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871405515 TVOHITXFXYPJOB-LQVNUGMESA-N 440.539 6.714 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccc4ccccc4c3)ccc2C1=O 1871419704 OSVNSHDNRLFOPC-YSMPRRRNSA-N 435.479 5.782 30 10 IKEE CC[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1cc(Br)cc3c1OCOC3)C2=O 1871421498 PTDOJSPSZOQNBI-AOPUEWEHSA-N 445.309 5.418 30 10 IKEE CCCCCOC(=O)COc1ccc2c(c1C)O/C(=C\c1c(Cl)cccc1Cl)C2=O 1871427251 VAYTYFSVZHJWOW-NDENLUEZSA-N 449.330 6.030 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc(Cl)c4)cc(C)c3C2=O)cc1 1871454154 CJHDTQYRDNRZID-JJFYIABZSA-N 433.891 5.591 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1C 1871459241 NDOSOHZXHTXRJU-QRVIBDJDSA-N 447.918 5.899 30 10 IKEE CCN(CC)C(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 1871460803 FTTHVLURWJMVOA-ODLFYWEKSA-N 434.319 5.165 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(OC(C)C)cc2)[nH]c(N2CCCC2)n1 1871722381 DJYNMLVDJQCPLK-UHFFFAOYSA-N 426.609 5.197 30 10 IKEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1ccccc1 1871819621 QMRNJVNQZPVICG-XMMPIXPASA-N 442.625 5.259 30 10 IKEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1cccs1 1871827393 NFVCMECDAPTOEB-HXUWFJFHSA-N 434.627 5.075 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1 1872427455 KIYLBNAEVCRNPG-QFIPXVFZSA-N 449.016 5.331 30 10 IKEE NC1=C(c2nc(-c3ccccc3)c(-c3ccccc3)s2)C(=O)CN1c1cc(F)ccc1F 1872726078 JCBZNXWKYSLIFC-UHFFFAOYSA-N 445.494 5.472 30 10 IKEE CC(C)(C)c1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 1872760007 FHRYRHQMVQPROG-RLMNYEENSA-N 436.580 7.150 30 10 IKEE COc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1OC 1872760220 JWTUNSUDTWBHKS-FTUXVVSKSA-N 440.524 5.870 30 10 IKEE CC(=O)Oc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 1872762351 KDPKVMABJOAHNO-MRXNPFEDSA-N 431.300 5.532 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccccc3OC)cs2)cc1OC 1872763901 YCGQNXHPRBNEJG-SXAWMYDMSA-N 434.517 5.116 30 10 IKEE CCOc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2c(C)c(C)cc(C)c2C)cs1 1872778301 IOONXPSOHXMGRJ-IBGZPJMESA-N 434.561 5.698 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(N(C)C)cc3)n2)c(OCC)c1 1872783775 HQTSNILQHZEAMI-HXUWFJFHSA-N 435.549 5.164 30 10 IKEE Cc1ccc(N2CC(=O)C(c3nc(-c4ccccc4)c(-c4ccccc4)s3)=C2N)cc1F 1872796013 IDOIAAYTACXUCT-UHFFFAOYSA-N 441.531 5.641 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@@H]2CCCC[C@H]2C)=C(c2ccccc2C)C1=O 1873104867 MEJPEZAKEGYYRK-ISKFKSNPSA-N 438.656 6.384 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)cc2)cc2c(NCc3ccc(OC)cc3)ncnc21 1873636597 RYNHMSOOKAXHRY-UHFFFAOYSA-N 447.926 5.144 30 10 IKEE Cc1cccc(CSc2nnc(CCCOc3ccccc3C)n2/N=C/c2ccco2)c1 1874249294 WVARFCWFWRBGNW-YZSQISJMSA-N 446.576 5.674 30 10 IKEE C=CCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1cccc(OC)c1OC 1874270315 PVHAQDCMYHVPQJ-YZSQISJMSA-N 444.560 5.200 30 10 IKEE Cc1ccccc1CSc1nnc(COc2c(C)cccc2C)n1/N=C/c1ccc[nH]1 1874297454 COWWZIFVFQOGRB-VULFUBBASA-N 431.565 5.285 30 10 IKEE CCCSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1ccc(Cl)c(Cl)c1 1874327604 BLQNDDFYOYTPGL-WYMPLXKRSA-N 449.407 6.165 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2/N=C/c2ccc(F)cc2)c1 1874357758 XQGNJCLHTIMHSY-LQKURTRISA-N 444.579 6.108 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cc(C)ccc3C)n2/N=C/c2ccccc2)cc1 1874389260 LNLZKRLNDQALQI-WPWMEQJKSA-N 426.589 5.969 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(O)cc1O 1874394904 YOKQFBRXVXHODP-HEOQCTJZSA-N 448.523 5.155 30 10 IKEE CCOc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCc2ccccc2C)cc1 1874410679 GVDTXQVMIFNJER-PCLIKHOPSA-N 448.617 5.812 30 10 IKEE Fc1cccc(CSc2nnc(Cc3cccs3)n2/N=C/c2ccccc2F)c1 1874411857 ORLXEDXHSHZNDC-ZMOGYAJESA-N 426.517 5.383 30 10 IKEE O=C(CSc1nnc(C2CCCC2)n1/N=C/c1ccc(Cl)cc1)Nc1ccccc1 1874452258 MQKYUNSYAGCYNE-ZVHZXABRSA-N 439.972 5.202 30 10 IKEE COC(=O)c1ccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2C(C)(C)C)cc1 1874484344 QZAUULNOXPBQPR-AFUMVMLFSA-N 436.581 5.154 30 10 IKEE COc1cc(/C=N/n2c(SC)nnc2C2CCC2)ccc1OCCCc1ccccc1 1874491795 JOJKOTJBXIXMSF-KOEQRZSOSA-N 436.581 5.170 30 10 IKEE CC(C)Cc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(N(C)C)cc1 1874491980 SDKZHXHTPVJLLI-DHRITJCHSA-N 445.995 5.510 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(C2CCC2)n1/N=C/c1c[nH]c2ccccc12 1874499766 ZQGOGCYJYZLKBJ-RPPGKUMJSA-N 439.947 5.994 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccccc2CC)n1/N=C/c1cccc(Cl)c1 1874504083 JGZPEFYHAXISHD-ZVHZXABRSA-N 441.988 5.059 30 10 IKEE COCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874506012 JWOQJXSBIOTYKX-LSFURLLWSA-N 441.771 5.559 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/n2c(S)nnc2-c2ccco2)cc1OC 1874559702 ISFKKFPFVIIWIN-JJIBRWJFSA-N 442.585 5.847 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2ccc(Cl)c(Cl)c2)cc1 1874572304 GQBVYPWPVKQMMR-WYMLVPIESA-N 441.354 7.040 30 10 IKEE Cc1cccc(COc2ccc(Br)cc2/C=C/C(=O)c2ccc(C)cc2C)c1 1874578727 DCSRLHYBYBUPMK-DHZHZOJOSA-N 435.361 6.849 30 10 IKEE Cc1ccc(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c(C)c1 1874582056 UBUCDFBSRYVZPD-GHRIWEEISA-N 441.571 6.515 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2)cc1 1874583761 FJEQBLYCRUPNHC-WYMLVPIESA-N 433.935 6.377 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cc(Br)ccc1OCCCO 1874590209 ZAZFEZBNZWXRQI-JXMROGBWSA-N 431.370 5.712 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1OCc1ccccc1Cl 1874597031 QFLNGSYBEZQINR-OQLLNIDSSA-N 434.963 7.121 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)NC3CCCCC3)c2)cc1Cl 1874600205 ZIQVWTCJILNJLB-ZRDIBKRKSA-N 427.928 5.072 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3cccc(C)c3)c(OC)c2)cc1 1874606369 KIKBHHYIRRJJLE-DTQAZKPQSA-N 444.571 6.830 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OCCC)c(OCCC)c2)cc(OC)c1OCC 1874612585 BOFLDONFQJVAKZ-ACCUITESSA-N 438.564 6.296 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OCc3ccccc3)c(OCC)c2)cc1 1874613758 LUNQGZXIGWOBPI-XNTDXEJSSA-N 436.935 6.613 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCc3cc(C)ccc3C)c(OC)c2)cc1C 1874637478 BFBFIYSCRTZFKR-PKNBQFBNSA-N 430.544 6.413 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)ccc1OCc1ccccc1F 1874637603 IRGHNKFAAMAAOP-ZRDIBKRKSA-N 434.507 6.325 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OCc1ccccc1 1874638145 KHPYKJZSJDWBMQ-XYOKQWHBSA-N 427.327 6.867 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2cccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 1874692655 REXCOTXONGVAML-NTCAYCPXSA-N 445.471 5.564 30 10 IKEE CCCCCCCCC(=O)Oc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)ccc1OC 1874696301 RAQRIYSOPQMHQT-NTCAYCPXSA-N 438.564 6.564 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)[C@H]2C[C@H]2c2ccccc2Cl)c1)c1cccc(Cl)c1 1874699055 BKVWQHFSUOZFJA-KFDAMUOLSA-N 437.322 6.599 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OC(=O)c1ccc(F)c(F)c1F 1874701242 IECXWWOCFUWZCI-BJMVGYQFSA-N 440.417 5.845 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)c1 1874704671 WOVIHPIIBCMJJP-LVIAPQIJSA-N 446.930 6.262 30 10 IKEE CCc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(Oc4ccccc4)cc3)c2)cc1 1874712966 ZDWZPEAGRRQDQF-DEDYPNTBSA-N 448.518 7.157 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC(=O)c2cccc3ccccc23)c1 1874715944 UGBROTVPMNVDTD-FBMGVBCBSA-N 448.562 7.561 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1sccc1C 1875094412 QOZNGPXTZAFKLP-VQHVLOKHSA-N 437.473 5.479 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)Oc3ccc(Cl)cc3)cc2)c1 1875102634 KWQOMKYIOPZYGC-YBYKNVHQSA-N 436.891 5.618 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Br)c2)ccc1OC(=O)c1ccco1 1875117322 OBTZBLFSGBCEDJ-VQHVLOKHSA-N 427.250 5.166 30 10 IKEE O=C(CC12CC3CC(CC(C3)C1)C2)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1 1875120191 HGBMGPRYYKYTNO-FPYGCLRLSA-N 436.498 6.373 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)CCCSC 1875123170 DSOXQGVJKSLGJT-CMDGGOBGSA-N 439.360 5.947 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cnc(C)cn3)c(OCC)c2)cc1 1875139255 ZTBJSPMYEKYJEJ-WUXMJOGZSA-N 446.503 5.088 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1ccc(CC)cc1 1875151708 ZCFPFDIEAUVSPN-KPKJPENVSA-N 444.483 5.492 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1cccc(OC)c1 1875157250 VPHGBWPUBATYKO-OQLLNIDSSA-N 444.527 6.333 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)Cc1cc(C)ccc1C 1875157867 SEMGABUOZAUGBZ-KPKJPENVSA-N 448.490 5.504 30 10 IKEE COc1cc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3C)cc2)c(OC)cc1Cl 1875173264 UTGRURJFKRPMLA-JLHYYAGUSA-N 436.891 5.781 30 10 IKEE C=CCn1c(C(=O)N(CCC)CCCC)cc2c(NCCc3ccc(C)cc3)ncnc21 1875227652 ILRCHDGFOCJGHH-UHFFFAOYSA-N 433.600 5.233 30 10 IKEE N#Cc1cncc(C2=CCN(C(=O)c3cc(-c4ccc(-c5ccccc5)cc4)on3)CC2)c1 1891039703 CNYOWGYEZIBNOV-UHFFFAOYSA-N 432.483 5.205 30 10 IKEE CCN(CC)c1cccc(OCC#CCNC(=O)C2(c3ccc(Cl)cc3)CCCC2)c1 1891195441 NPAGFRQDIQYWLE-UHFFFAOYSA-N 438.999 5.197 30 10 IKEE Cc1ccc2c(C(=O)N3CCC(Oc4ncccc4C#N)CC3)cc3c(C)cccc3c2c1 1891768799 UOOBSPMJJOZLIT-UHFFFAOYSA-N 435.527 5.560 30 10 IKEE CC(C)(C)OC(=O)NCCC1CC(C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 2007655752 GTVDLTJUTUBNKS-UHFFFAOYSA-N 435.609 5.533 30 10 IKEE CC(C)[C@](C#N)(CCCN(CCN(C)Cc1ccccc1)Cc1ccccc1)NC1CC1 2034738771 ANCZXZLJKQOJLF-MUUNZHRXSA-N 432.656 5.071 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)C2(C#N)[C@H]3CC[C@H]2CN(Cc2ccccc2)C3)cc1 2037935370 KRXNOZOVXRVIAF-GOTSBHOMSA-N 431.580 5.541 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2046019660 PKJSPCOKTGOPMV-KWCZIXHQSA-N 445.535 5.153 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@H]1C(C)C 2067959636 WOYPTIVYSAFEMT-CPJSRVTESA-N 443.588 5.664 30 10 IKEE CCCCCCCCCCCCCC1(CC(=O)OCc2ccccc2)OCC(C)(C)CO1 2070241165 QFMUXKOSENTTSU-UHFFFAOYSA-N 446.672 7.590 30 10 IKEE CC(C)(C)c1nn([C@@H](c2ccc(C3CC3)cc2)C(C)(C)C)c(Br)c1/C=N/O 2079068786 DKFQZKJQPRILQZ-BBMHEYIBSA-N 432.406 6.264 30 10 IKEE CC(=O)Oc1ccc([C@@H](n2nc(C3CCC3)c(C=NO)c2Br)C2(C)CC2)cc1 2080079355 GFNXUJHBBGSBLX-LJQANCHMSA-N 446.345 5.036 30 10 IKEE COc1c2c(nc3c(-c4ccc(C(F)(F)F)c(F)c4)c(C(F)(F)F)nn13)CCCCC2 2081462690 VQKJCLXFHSCOCB-UHFFFAOYSA-N 447.354 5.851 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Br)c(Cl)c1F 2089288959 LUONDAYGUYHEFL-YOEHRIQHSA-N 447.776 5.199 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCCOC12CCCC2 2155126666 UPKKRPCHARCYIW-HXUWFJFHSA-N 435.362 5.576 30 10 IKEE Cc1ccc2c(c1)CC[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2163706820 QAMQSZMQJAYLAP-QFIPXVFZSA-N 427.342 5.864 30 10 IKEE CCN(c1cccc(Br)c1C#N)[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 2174807889 HVXVMIZEYDWOAQ-CRAIPNDOSA-N 436.394 5.231 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](Cc2cc(F)ccc2Br)NCCC)C1 2197757945 YAHVTLYFOLOPPD-GOSISDBHSA-N 441.385 5.112 30 10 IKEE Cc1cc(Br)cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)c1 2228980443 BGCAAPZLOFWRDY-SFHVURJKSA-N 435.749 6.417 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1sc(C)c(C)c1Br 2229299137 DBWHRQWTWAMBMT-NVXWUHKLSA-N 443.451 5.475 30 10 IKEE C[C@H](N(Cc1ccccc1)C(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2247774154 TYGJGNZTFXJTNX-KRWDZBQOSA-N 427.419 5.124 30 10 IKEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)Cc2cccs2)c1 2267231312 AGTYOZHZALHEON-UHFFFAOYSA-N 447.409 5.198 30 10 IKEE CC1(C)OB(c2ccc(C(=O)N(Cc3ccccc3)c3ccccc3)c(Cl)c2)OC1(C)C 2267692387 SCJGFDLRSOLFEY-UHFFFAOYSA-N 447.771 5.486 30 10 IKEE C#CCC[C@@H](OCCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2274762411 RFAFRQRGXXMWTN-RUZDIDTESA-N 444.527 5.790 30 10 IKEE C[C@@H](N(Cc1ccccc1)c1ccnc2ccc(B3OC(C)(C)C(C)(C)O3)cc12)C(C)(C)C 2285398616 SVWRCSXWYSEHSB-HXUWFJFHSA-N 444.428 5.975 30 10 IKEE CC(C)(C)OC(=O)NC1C[C@@H]2CCC[C@H](C1)C2Nc1ccc(Br)cc1C#N 2285780575 ULTDPKPVNPVEAJ-BQIGGSFXSA-N 434.378 5.205 30 10 IKEE O=C1NC(=Nc2cccc(Cl)c2Cl)SC1=Cc1cccn1-c1ccc(O)cc1 2293841550 OKAFQPQYKNPOSU-UHFFFAOYSA-N 430.316 5.381 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)C(CC)(CC)NC(=O)OC(C)(C)C 2296220455 YIFVTTSBUVTAPC-LJQANCHMSA-N 437.422 5.252 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)CC[C@@H](C)CNC(=O)OC(C)(C)C 2296286521 MERUOERIJMOVGI-XLIONFOSSA-N 437.422 5.110 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCc3c(Cl)cccc3Cl)ccc2C1=O 2296867356 JWZJAEWAIXGUFI-UHFFFAOYSA-N 441.310 6.587 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Br)cc2)ccc1OC(=O)c1cccs1 2314430078 VSKAHNCGFCIRRX-UHFFFAOYSA-N 443.318 5.635 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c3ccccc3F)C2)C1 2317524975 JVSAXOORBIYTSS-XMMPIXPASA-N 445.535 5.251 30 10 IKEE CCCCCCCOc1ccccc1C=Nn1c(C)nnc1SCc1ccc(C#N)cc1 2318571839 UGVATKSZSCBYLL-UHFFFAOYSA-N 447.608 5.982 30 10 IKEE COc1cc(C=Nn2c(SCCc3ccccc3)nnc2C2CC2)ccc1OC(C)C 2320859332 ASMAQIJJEFEAMM-UHFFFAOYSA-N 436.581 5.168 30 10 IKEE O=C1C(=Cc2ccc(Cl)c(Cl)c2)Oc2c1ccc1c2CN(Cc2ccccn2)CO1 2321968306 KJYAAUJZSIRBBC-UHFFFAOYSA-N 439.298 5.357 30 10 IKEE O=C1C(=Cc2ccc([N+](=O)[O-])cc2)Oc2c1ccc1c2CN(CCC2=CCCCC2)CO1 2322107144 NMZPNQQTXNSGQE-UHFFFAOYSA-N 432.476 5.253 30 10 IKEE C[C@H](c1cccs1)N(Cc1ccccc1)c1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2322306872 PYGKVCXKDGDJKJ-QGZVFWFLSA-N 438.377 5.349 30 10 IKEE Cc1cc(C(=O)C=Cc2c(OCC(=O)Nc3nccs3)ccc3ccccc23)ccc1F 2322630869 IJADIBZSWPKTSK-UHFFFAOYSA-N 446.503 5.657 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(N)=O)cc1 2322762954 GMMVTPMTLJGVOT-UHFFFAOYSA-N 429.944 5.449 30 10 IKEE COc1ccc(OC)c(C=C2Oc3c(ccc(OC(=O)c4cccc(C)c4)c3C)C2=O)c1 2322880892 RPNZWFJRXYIHCB-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE COc1cc(C=NNc2ccc(C)c(C)c2)ccc1OCc1ccc(Br)cc1 2322922321 HEUAEBCLRFAPOB-UHFFFAOYSA-N 439.353 6.100 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2c(OCCc3ccccc3)ccc3ccccc23)cc1C 2322985699 WCDABABXLBRBDJ-UHFFFAOYSA-N 436.551 6.983 30 10 IKEE COc1ccc(C=CC(=O)c2cccc3ccccc23)c(Br)c1OCCCO 2323202722 FCLUQPPQUOJNPZ-UHFFFAOYSA-N 441.321 5.268 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 2323461142 CSRHADMKJATLAM-UHFFFAOYSA-N 441.354 7.040 30 10 IKEE CCCOc1c(Cl)cc(C=NNc2nc(-c3cccs3)c(C)s2)cc1Cl 2323870432 ANTFASHTDKFVOI-UHFFFAOYSA-N 426.394 6.722 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OCc3ccc(C)cc3)c([N+](=O)[O-])c2)c1 2324023576 YKEWNJVIRNDRCC-UHFFFAOYSA-N 433.460 5.396 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OCc1ccccc1C 2324055039 LPXOFEIHXXXLJJ-UHFFFAOYSA-N 448.990 7.430 30 10 IKEE COc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4C)ccc3C2=O)cc1 2324406019 IGFDINOUWYYRST-KRWDZBQOSA-N 429.472 5.026 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCCCOc4ccc(Cl)cc4)cc(C)c3C2=O)cc1 2324555041 NPJZGCQKCQIEFG-UHFFFAOYSA-N 434.919 6.421 30 10 IKEE Cc1ccc(OCCCCOc2ccc3c(c2C)OC(=Cc2cccc(C)c2)C3=O)cc1 2324588982 KQDAMOVXMVIYJI-UHFFFAOYSA-N 428.528 6.466 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc([N+](=O)[O-])c1OC 2324598912 DOCASGXIYQVYGY-UHFFFAOYSA-N 426.252 5.214 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OCc2cccc(F)c2)c([N+](=O)[O-])c1 2324704132 YMPQIQIUXIPFJV-UHFFFAOYSA-N 441.842 5.871 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(C(C)C)cc3)n2)cc1C 2324825637 WQRDSVGXHZSVRF-JOCHJYFZSA-N 430.573 6.449 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O 2325005109 DXMMFIYAHVWVPW-UHFFFAOYSA-N 431.463 5.330 30 10 IKEE CCCOC(=O)[C@H](CC)Oc1cc(C)c2c(c1)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2325092364 FWZXRZWQVIJKLX-SFHVURJKSA-N 449.330 6.029 30 10 IKEE CCCOc1ccc(C=Nn2c(CC)nnc2SCc2cccc3ccccc23)cc1 2325603777 GNMMCLVNIOGJDU-UHFFFAOYSA-N 430.577 5.957 30 10 IKEE O=C(C=Cc1cccc(OC(=O)C23CC4CC(CC(C4)C2)C3)c1)c1cccc([N+](=O)[O-])c1 2325690118 COCOFQDYNJSDQU-UHFFFAOYSA-N 431.488 5.613 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1cccc(C=CC(=O)c2cccc(Br)c2)c1 2325720454 WABUPNUPZJQFDA-UHFFFAOYSA-N 439.280 5.632 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2OC)cc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 2325723136 MSNOORNGQVLZEX-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE COc1cccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc(C(C)C)cc3)c2)c1 2325750799 MJOUQVBDZUQQDI-UHFFFAOYSA-N 430.500 5.699 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)c(C)c1C 2325755565 PYCJSGCKRMBQMJ-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1ccncc1 2325904675 XCQYCUCUXVYBSO-UHFFFAOYSA-N 435.597 5.408 30 10 IKEE CCCOc1ccc(C=Nn2c(CC)nnc2SCc2cc(C)cc(C)c2)cc1OC 2326409416 VEQBDQPMRAOKMY-UHFFFAOYSA-N 438.597 5.429 30 10 IKEE CCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(OC)c(OC(C)C)c1 2326546468 JNOSDJPIHMSHQW-UHFFFAOYSA-N 444.988 5.464 30 10 IKEE CCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(OC)c(O)c1Cl 2326546477 KYUIISLMEPJNHD-UHFFFAOYSA-N 437.352 5.036 30 10 IKEE C=CCSc1nnc(COc2ccccc2OCC)n1N=Cc1ccc(Cl)cc1 2326848414 ZOTLPBFGBYEKBW-UHFFFAOYSA-N 428.945 5.070 30 10 IKEE COc1ccccc1CCc1nnc(SCc2ccccc2)n1N=Cc1cccs1 2328691600 HZSZZABEOQCGEA-UHFFFAOYSA-N 434.590 5.308 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccc(C)cc3C)n2N=Cc2ccc[nH]2)cc1 2328875149 LQVXASHFFCKOLR-UHFFFAOYSA-N 431.565 5.285 30 10 IKEE Cc1ccccc1C=Nn1c(CCOc2ccccc2)nnc1SCc1cccc(F)c1 2329175546 KQXWBLKBQUHTPW-UHFFFAOYSA-N 446.551 5.522 30 10 IKEE COc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2ccc(C)cc2)cc1 2329280931 YQBMGVHQXUWOAN-UHFFFAOYSA-N 442.588 5.403 30 10 IKEE Fc1ccc(C=Nn2c(Cc3cccs3)nnc2SCc2ccccc2Cl)cc1 2330393440 DMJCYKYMKHPEBZ-UHFFFAOYSA-N 442.972 5.897 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3ccc(OC)cc3)cc2)cc1 2330741172 NSMFFOOWDHXCDI-UHFFFAOYSA-N 444.527 5.918 30 10 IKEE CC(C)(C)Cc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1cccc(O)c1 2330883161 VMEIPZIPXSKRFM-UHFFFAOYSA-N 432.952 5.539 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)c1ccncc1 2331128558 KVRWIERPPVOBIG-UHFFFAOYSA-N 442.298 5.902 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3ccncc3)c(OC)c2)cc1 2331187302 SGMRRZQKNQFTHW-UHFFFAOYSA-N 437.879 5.258 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccccc3)c(Cl)c2)cc1 2331195206 DPDREXSIYBKXSE-UHFFFAOYSA-N 436.891 5.619 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CC(C)(C)C)c(Br)c2)cc1 2331198715 KKOPFMDRTAOZSQ-UHFFFAOYSA-N 445.353 6.086 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccco3)n2N=Cc2ccccc2Cl)cc1 2331224489 VWDRLYOMOSQEKC-UHFFFAOYSA-N 429.332 6.019 30 10 IKEE Cc1cc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2)ccc1F 2331411214 ZQWIWUSCCLNRPB-UHFFFAOYSA-N 430.519 6.476 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc3ccccc23)cc(OC)c1OC(=O)CCOC 2331484025 DLEVGIVOSAQPKS-UHFFFAOYSA-N 430.500 5.415 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C(F)(F)F)cc3)cc2)cc1 2331491560 RECKCVLXSDUHBB-UHFFFAOYSA-N 438.445 6.944 30 10 IKEE C=CCc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)c1ccccc1 2331780003 LUIKNGPIHGLERK-UHFFFAOYSA-N 440.539 6.464 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)c(C)c3)cc2)cc1Cl 2331814945 DXEUNDJNHZKUCD-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc(Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)c1 2339601671 ZNELHWGREGKYOD-UHFFFAOYSA-N 438.333 5.866 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Nc1ccc(F)cc1)[C@@H]2c1ccco1 21722206 AUEIMCPMWHAKJR-XMMPIXPASA-N 445.494 6.267 30 10 IKEE C=CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)SC1=S 33923445 XTVKCSWGBRAPIZ-KGENOOAVSA-N 447.585 5.244 30 10 IKEE COc1ccc2c(c1)c(/C=C1\Oc3cc(OC(=O)c4ccccc4)cc(C)c3C1=O)cn2C 41251242 FBPDUMSUTJAZCO-MSXFZWOLSA-N 439.467 5.331 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(C)cc4)cc(C)c3C2=O)c(OC)c1 41284341 NJGPLYIHYZRWAO-FMCGGJTJSA-N 430.456 5.156 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OC(=O)c3ccc(C(C)(C)C)cc3)c2C)C1=O 41288471 GQSJJOUDSUPXTJ-JLPGSUDCSA-N 426.512 6.436 30 10 IKEE Cc1c(OCC(=O)OC(C)(C)C)ccc2c1O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 41432296 SDOGCTPOYHBTMQ-JLPGSUDCSA-N 442.511 5.999 30 10 IKEE CCCCN(CCCC)CN1C(=O)/C(=N\c2ccc(-c3ccccc3)cc2)c2ccccc21 59379003 VXIIZMBHIDRLLA-HYOGKJQXSA-N 439.603 6.681 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)CNc1ccc(C(=O)N(C)C)cc1 100106131 SKOKBFJTXUIEKL-UHFFFAOYSA-N 445.692 6.398 30 10 IKEE CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N/c1cccc2ncccc12 103627816 OOZYLMDLLGLYEG-CCSRSWJSSA-N 448.573 5.237 30 10 IKEE COc1ccc2c(c1)CC[C@@H]1C2=NN(/C(C)=C\C(C)=O)[C@H]1c1ccc(Br)cc1 103971333 ZXOVSPPEKNYKJJ-MHDUUTITSA-N 439.353 5.274 30 10 IKEE CCCCCCCC[C@H](NCCC)c1cc(Br)sc1Br 115856864 UVPKWWBCSYTSEF-AWEZNQCLSA-N 425.274 7.064 30 10 IKEE C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1C/C(=C/c1cccc(Br)c1)C2=O 118915811 OMJIZRMQBBHMOY-QHIVSHTQSA-N 441.453 7.444 30 10 IKEE CN(C)c1ccc(/C=C/C=N/N=C2\CC[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]23C)cc1 118919623 KJCIEPRMJJUJPF-GIHJZHDFSA-N 445.695 7.625 30 10 IKEE CCCCCCOc1ccc(C(=O)Oc2ccc(CCCCC)cc2Cl)cc1C#N 148060293 ZJSJTVFMRJCKSD-UHFFFAOYSA-N 427.972 7.123 30 10 IKEE COc1cccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2cc(C)cc(C)c2)c1 169930311 ZGXRBLWGTMCYOM-SANMLTNESA-N 441.527 5.414 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2cccs2)cc1C 169982129 GYLQVKTVWNGNLH-QFIPXVFZSA-N 432.545 5.214 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2cccs2)c1 169983016 VRAVYYWUMCXYNN-QFIPXVFZSA-N 433.529 5.663 30 10 IKEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccncc2)cc1 170015456 RWQLPXSVQSNCCW-VWLOTQADSA-N 449.510 5.084 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(O)c(Cl)c1)c1ccc(Cl)cc1 170043992 DDIRCHCOEXXSNB-LJQANCHMSA-N 432.303 5.220 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2cccc(O)c2)c(C)c1 170081343 IOOCUMQWYLURKF-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2c2ccccc2)cc1 170113496 MFAQRZBERYUSNR-QFIPXVFZSA-N 449.890 5.140 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(OC)c1 170121114 COADIMQAZZBYQP-HXUWFJFHSA-N 448.346 5.771 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccc(O)cc2)cc1 170133139 OOFMTSQBJUBFGV-DEOSSOPVSA-N 443.499 5.271 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC)c2)[C@H]1c1ccc(OC(C)C)cc1 170151886 TYVAVJRRRXVQSG-HSZRJFAPSA-N 437.536 5.251 30 10 IKEE CC(C)(C)c1ccc(NC2=C(c3cccs3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170157454 URBOWUMBVJXCBH-UHFFFAOYSA-N 427.529 5.314 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1cccs1 170161317 QBEYYFMMXRFKLJ-HXUWFJFHSA-N 439.920 5.501 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccs2)cc1Cl 170161461 JNBABLALJNFBOQ-HXUWFJFHSA-N 439.920 5.501 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)c(OC)cc3C)[C@H]2c2ccccc2)cc1 170225022 OPTWKDUIQQFOBE-XMMPIXPASA-N 443.499 5.104 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccccc2)c(C)c1 170228001 WBHMRRKGXPZJAK-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@H]1c1ccccc1 170233201 CMLGOAGFKFIASH-OAQYLSRUSA-N 446.572 5.887 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(F)cc2)cc1C 170244253 UOJAYABIVYCZND-QHCPKHFHSA-N 437.511 5.444 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2c[nH]c3ccccc23)cc1C 170256565 VUAXNPVHONHRES-DEOSSOPVSA-N 444.531 5.396 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2C2CCCC2)cc1 170268641 WVBJCABTABXIAI-XMMPIXPASA-N 433.548 5.557 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccco2)c1C 170285871 ZKHBVZKANHRLOQ-HSZRJFAPSA-N 431.488 5.467 30 10 IKEE CCCCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(CC)cc2)cc1 170391879 RPDNCRVIEQZWGE-DEOSSOPVSA-N 429.516 5.968 30 10 IKEE Cc1oc(NC(=O)CCCCCCCCCCN2C(=O)c3ccccc3C2=O)c(C#N)c1C 170528060 IIKZBXKVKGMBTC-UHFFFAOYSA-N 449.551 5.514 30 10 IKEE Cc1ccc2oc(-c3ccc(C(=O)Nc4sc5c(c4C#N)CCC5)cc3)cc(=O)c2c1 170578044 GYUOAEWRBBJWDM-UHFFFAOYSA-N 426.497 5.443 30 10 IKEE CCCCCc1ccc(-c2ccc(C(=O)Oc3ccc(CCCC)cc3C#N)cc2)cc1 198675158 KWMCUQZXFYMOTB-UHFFFAOYSA-N 425.572 7.520 30 10 IKEE N#Cc1ccccc1C=NNc1nc(-c2ccccc2)c2cc(Br)ccc2n1 252598787 DDYZKPVBNJSCGY-UHFFFAOYSA-N 428.293 5.377 30 10 IKEE aggregator CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](C(C#N)C#N)CC[C@]4(C)[C@@H]3CC[C@@]12C 253609153 CCXNGZZZEMMYFL-YIJRJBKMSA-N 436.728 8.387 30 10 IKEE CCSc1nnc(-c2ccco2)n1N=Cc1ccc(COc2ccc(Cl)cc2)o1 254739984 HIOQHIZYNSATGO-UHFFFAOYSA-N 428.901 5.358 30 10 IKEE COc1ccc(C=Nn2c(SC)nnc2C(F)F)cc1COc1cccc(Cl)c1 254756738 DWMQKAJHVBLBHB-UHFFFAOYSA-N 438.887 5.061 30 10 IKEE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3C(=N[N+](=O)[O-])C[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C 254789617 VIIVBTDLDAKMPX-MAXWFTLSSA-N 430.677 7.740 30 10 IKEE N#Cc1ccc(-c2ccc(Cl)cc2)nc1SCC(=O)Nc1cccc2ncccc12 261526799 LLDKXIDMPYPGAN-UHFFFAOYSA-N 430.920 5.553 30 10 IKEE CCCCCCCCCCCCCCCC[C@@H](C=O)/C(=N/N)c1ccc(C(=O)OC)cc1 514277812 FULIOPXNTAVLNY-XLPMDEKGSA-N 444.660 6.823 30 10 IKEE Fc1ccc(CSc2nncn2/N=C\c2ccc(OCCCc3ccccc3)cc2)cc1 526801278 IKCPWXVVLDPDJA-QRQIAZFYSA-N 446.551 5.603 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1ccc(OCC(C)C)cc1 526809581 OOVLJHKOAQRLTE-YSMPRRRNSA-N 436.625 6.057 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1sccc1C 526814585 UBIHYQDCIOADBN-FBHDLOMBSA-N 425.410 6.082 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@@H](C#N)c1cccc(OCc2ccccc2)c1 698849009 DPNREOIRAYTIMS-DEOSSOPVSA-N 432.495 6.411 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 698883992 IUCFHODTSCLIPT-HJPURHCSSA-N 433.524 5.106 30 10 IKEE CCCCCCCCCC[C@H](N)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 702533108 SNKYWHIMNHUEPW-ZEQRLZLVSA-N 433.681 5.870 30 10 IKEE Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2cc(O)cc(Cl)c2)c1C 762439427 SDDPGQWOCFILLJ-UHFFFAOYSA-O 436.944 5.145 30 10 IKEE Cc1ccc(NN=C2C(=O)N(Cc3ccc(F)cc3)c3ccc(Br)cc32)cc1 1084242562 CLRDIYFPFGNIIU-UHFFFAOYSA-N 438.300 5.260 30 10 IKEE C/N=C1\S/C(=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)C(=O)N1C 1084449898 XHEPKAKKBFBYBJ-IFUUTMBKSA-N 443.775 5.379 30 10 IKEE N[C@H]1CCCC[C@@H]1N/C(=N/Cc1cccs1)Nc1ccc(OCc2ccccc2)cc1 1088703112 DBOKAHZMZRTPPB-ZEQRLZLVSA-N 434.609 5.155 30 10 IKEE C=CCC[C@@H](NC(=O)N[C@H](COC(=N)O)Cc1ccccc1)c1ccc(C(F)(F)F)cc1 1469492096 SIPMEJFZHLOOPQ-VQTJNVASSA-N 449.473 5.133 30 10 IKEE C=CCCC1(CNC(=O)CCc2nc(O)c3c4c(sc3n2)C[C@@H](C)CC4)CCCC1 1557474763 INQZUQODNROSGK-INIZCTEOSA-N 427.614 5.097 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=Nc1cccc(C)n1 1772739206 VNGKYZXBUVIKJO-VASVRFFCSA-N 446.488 5.348 30 10 IKEE CC(/C=C1\SC(=NN=Cc2ccc(O)cc2)N(Cc2ccco2)C1=O)=C\c1ccccc1 1772757519 GWPCDCHUSNSEHY-BCUWXCOBSA-N 443.528 5.438 30 10 IKEE Cc1ccc(-c2c(C)sc3nc(-c4cccnc4)n(Cc4cccc(C#N)c4)c(=O)c23)cc1 1857804109 SLMNSSVYSKXGLG-UHFFFAOYSA-N 448.551 5.724 30 10 IKEE CS(=O)(=O)c1ccccc1C(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N 1859650152 KEDBUQGRQYCIGK-UHFFFAOYSA-N 442.496 5.141 30 10 IKEE N#Cc1c(NC(=O)c2cnc(-c3cccnc3)s2)oc(-c2ccccc2)c1-c1ccccc1 1859743978 NTLCSUFYBIUNID-UHFFFAOYSA-N 448.507 6.256 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc(OCc3ccc(Br)cc3F)c2)c1 1860133446 ULEUJENJWAVPNF-UHFFFAOYSA-N 425.257 5.291 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)c1c(C)ccc2ccccc12)[C@@H](C)CC 1860989775 IRUGZVWPIMOCEI-LVXARBLLSA-N 438.656 6.550 30 10 IKEE CCCCCCCCNC(=O)[C@@H](NC(=O)c1ccccc1C(F)(F)F)c1ccccc1 1861042275 KQXVFWRBBOSYKM-NRFANRHFSA-N 434.502 5.653 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(F)cc2F)=C(O)C(=O)N1[C@H]1CCCC[C@@H]1C 1862412162 YANSEVCBJNQTLQ-GJULWVSJSA-N 425.475 5.430 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CCCCC2)cc1 1862419777 WRJLDUZGROSGLO-QFIPXVFZSA-N 441.474 5.275 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCC2=CCCCC2)c1 1862428963 BTUCMTPCZNKIBZ-QHCPKHFHSA-N 435.951 6.117 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccs2)cc1 1862479086 YGKMRIDTCFUTJM-JOCHJYFZSA-N 433.529 5.234 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc(N(C)C)cc2)c1 1862492833 BDKOREZDFBGMLJ-DNVKUUNQSA-N 446.591 5.526 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2cc(Br)ccc2F)cc1 1862541325 JIMQCPUTHMPNCB-LJQANCHMSA-N 446.316 5.137 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccccc1 1862544224 YVECDHMLSIXKEK-AFMDSPMNSA-N 437.539 5.905 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862584598 CFZXLAUBIRLJKE-VOJFVSQTSA-N 449.290 5.278 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccccc1F 1862590086 AQXBBVRDOZUZHI-VGOFRKELSA-N 425.500 5.469 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1cccc(O)c1 1862613383 HGKHKFOLSBUXKX-UWSIMGETSA-N 447.575 5.847 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccccc1Cl 1862617490 HMFKPXHXRVGOGP-QFIPXVFZSA-N 439.983 6.406 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 1862619892 FVVNORAMEJXSDN-HSZRJFAPSA-N 433.592 6.270 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCC(C)C)cc1O 1862653062 ONDHSTHPXNFVGQ-DEOSSOPVSA-N 445.515 5.178 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(Cl)cc1Cl 1862658749 UDTDJHSEBUTGGO-OAQYLSRUSA-N 438.310 5.911 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862669022 MQMURZUXYUDETC-BTYIYWSLSA-N 445.481 6.206 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@@H]1c1ccc2cc[nH]c2c1)c1ccc(F)cc1 1862679363 ZAUYVOYZRABZAM-XMMPIXPASA-N 446.522 5.998 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(CC)cc1 1862716037 WTHSEDAFBDPOCN-VWLOTQADSA-N 443.543 5.407 30 10 IKEE C=CCN1C(=O)C(Nc2cccc(Cl)c2Cl)=C(c2ccc(OCCC)cc2)C1=O 1863346437 GEEPQIXBUNVFCF-UHFFFAOYSA-N 431.319 5.160 30 10 IKEE C[C@H]1CN(c2cc(Nc3cccc(C#N)c3)nc(-c3ccc(Cl)cc3)n2)C(C)(C)CO1 1868424057 NLHSYLKJSPDKRM-INIZCTEOSA-N 433.943 5.416 30 10 IKEE Cc1ccc2[nH]c(C(=O)Nc3c(C#N)nnn3-c3ccc(Nc4ccccc4)cc3)c(C)c2c1 1870159165 IQAFGUNVJHIMBO-UHFFFAOYSA-N 447.502 5.233 30 10 IKEE CCCCCOc1cn(CCC(C)C)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870189122 UJHBKBRQAKLOQN-UHFFFAOYSA-N 441.641 5.948 30 10 IKEE C#CCOc1cn(CCc2ccc(C)cc2)c(CNc2cc(Cl)cc(Cl)c2)cc1=O 1871004559 LMTWMMSUQYOVGF-UHFFFAOYSA-N 441.358 5.330 30 10 IKEE Cc1cc(OC(=O)/C=C/c2ccc(F)cc2)cc2c1C(=O)/C(=C/c1ccc(N(C)C)cc1)O2 1871365976 LPUGECHJXVULSD-NFOYZZEQSA-N 443.474 5.435 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4cccc(Oc5ccccc5)c4)ccc3C2=O)cc1 1871379287 PMOOLPHBWZJMGM-YUMHPJSZSA-N 448.474 6.623 30 10 IKEE Cc1c(OC(=O)c2ccc(/C=C/C(=O)O)cc2)ccc2c1O/C(=C\c1ccc(F)cc1)C2=O 1871381714 DIDRSQLRFVBPDT-ZSFYTNPESA-N 444.414 5.067 30 10 IKEE COc1ccccc1/C=C1\Oc2c(ccc(O)c2CN(Cc2ccccc2)C(C)C)C1=O 1871393868 OPUSNAVJLYVVQG-MYYYXRDXSA-N 429.516 5.428 30 10 IKEE O=C1/C(=C/c2ccc(Cl)c(Cl)c2)Oc2c1ccc(O)c2CN1CCCC[C@@H]1CCO 1871395994 HCWIFLCXTVTQSL-OFNOZLENSA-N 448.346 5.052 30 10 IKEE COc1cccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)c1 1871442006 VNSAABBHWQOXNK-QFHNRLETSA-N 441.483 5.194 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 1871993412 ZSWKNIPMWZQSTB-DEOSSOPVSA-N 442.625 5.376 30 10 IKEE Cc1sc([C@H](C#N)C(=O)CSCc2nc3ccccc3[nH]2)nc1-c1ccc(F)cc1 1872727967 IRAFONLRKPYPBR-MRXNPFEDSA-N 436.537 5.244 30 10 IKEE N#C[C@H](C(=O)Cc1ccc(Cl)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872759493 QKEDPUREVLNHPX-JOCHJYFZSA-N 428.944 6.549 30 10 IKEE CCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1 1872777037 DXEKTWMJVXZLBG-FQEVSTJZSA-N 434.561 6.005 30 10 IKEE N#C[C@@H](C(=O)/C=C\c1ccc2c(c1)OCCO2)c1nc(-c2ccc(Cl)s2)cs1 1872789573 NHLUQQRQXWWODF-MTMQSLQUSA-N 428.922 5.186 30 10 IKEE C=CCc1ccccc1OCc1cccc(C(=O)NCc2ccc(C(=O)OCC)cc2)c1 1872834230 QXOJUOLBBVABSZ-UHFFFAOYSA-N 429.516 5.101 30 10 IKEE C=CCc1ccccc1OCc1cccc(C(=O)Nc2ccc(C(=O)O[C@H](C)CC)cc2)c1 1872834547 ZKABQGDICVWKNP-HXUWFJFHSA-N 443.543 6.202 30 10 IKEE CCCCCCCCCCNC1=C(c2cccnc2)C(=O)N(CCCCCCCC)C1=O 1873077021 MBPJWZSCOLYEFH-UHFFFAOYSA-N 441.660 6.252 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCOCC)=C(c2c(C)cc(C)cc2C)C1=O 1873119835 QBUHPUVQDREHGQ-UHFFFAOYSA-N 428.617 5.068 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1cccc(N(C)C)c1)n2CC 1873619533 GOFVXRRGKKXTTP-UHFFFAOYSA-N 436.604 5.542 30 10 IKEE O=C(N[C@@H]1CCCc2c1[nH]c1ccc(F)cc21)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1873708110 FYLJJMGIGOMWMT-QGZVFWFLSA-N 444.350 6.152 30 10 IKEE OCCCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(Cl)cc1 1874271426 VKAIEMBAJPTMGC-PCLIKHOPSA-N 436.968 5.032 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3F)n2/N=C/c2ccc[nH]2)cc1C 1874329731 BUSGENSQBCSQKJ-JFLMPSFJSA-N 433.556 5.322 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3)n2/N=C/c2ccncc2)cc1C 1874329733 BWAFEYZNPXNTAG-WPWMEQJKSA-N 427.577 5.250 30 10 IKEE COc1ccccc1/C=N/n1c(Cc2ccc(F)cc2)nnc1SCc1ccccc1 1874380153 ZDMNTBLBYFBLCI-WGOQTCKBSA-N 432.524 5.191 30 10 IKEE COc1ccccc1/C=N/n1c(CCc2ccccc2)nnc1SCc1cccc(C)c1 1874399037 VVSUDSQBBOCTEE-OVVQPSECSA-N 442.588 5.555 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CCCC2)cc1 1874457502 RNEYXIFGTUBCKM-CVKSISIWSA-N 439.028 6.887 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(-c2ccco2)n1/N=C/c1cccc(Cl)c1 1874469637 PMAQGXRWAZIQDO-BHGWPJFGSA-N 447.322 6.159 30 10 IKEE CC(C)COC(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1ccc(C(C)(C)C)cc1 1874486066 ZHRXZLFMDIPVQA-ZMOGYAJESA-N 430.618 5.047 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C(C)C)cc1OC 1874511987 GDRAYLQIBLNUSG-ZMOGYAJESA-N 428.533 5.122 30 10 IKEE CCN(CC)c1ccc(/C=N/n2cnnc2SCc2ccc(Cl)c(Cl)c2)cc1 1874540306 MIVHNUZFJZDPAZ-WYMPLXKRSA-N 434.396 5.606 30 10 IKEE CCOc1ccccc1/C=N/n1c(S)nnc1CCCOc1ccc(C(C)(C)C)cc1 1874570952 PUQSSOIKBCZAIP-KOEQRZSOSA-N 438.597 5.157 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccccc2OCc2c(Cl)cccc2Cl)cc1 1874579950 PXFHXBBZJWBKEK-NTCAYCPXSA-N 441.354 7.257 30 10 IKEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(F)c(F)c1)Nc1ccccc1F 1874584762 FLCYRFXCRXCKPS-RMKNXTFCSA-N 445.824 5.671 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCCc3ccccc3)ccc3ccccc23)c(C)c1C 1874586446 NULJKKRFRFFIQH-JQIJEIRASA-N 436.551 6.983 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)c1OCc1ccccc1F 1874591769 AYLPODNGHFRKPP-JQIJEIRASA-N 442.486 6.471 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1 1874592705 XPNQTVMZUOWMPG-RUDMXATFSA-N 447.745 7.131 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2cccc(OCC(=O)N[C@@H](C)c3ccccc3)c2)cc1 1874597997 NUSQTYYFIRKQQX-RKCQOLGWSA-N 427.544 5.962 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3ccc(F)cc3)c(OC)c2)cc1C 1874606826 IQUOXGYJADGCHD-YRNVUSSQSA-N 436.479 5.635 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1Cl 1874611185 AXHNWUQAWFEEIX-UXBLZVDNSA-N 441.861 5.840 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OC)c(OCC)c2)cc1OCCC 1874612794 MGHNTKOKBNQUTG-CSKARUKUSA-N 432.944 6.221 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OCc1ccccc1Cl 1874620952 BQGGRZQGXLUOGQ-JXMROGBWSA-N 436.891 5.943 30 10 IKEE C=CCOc1c(Cl)cc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)cc1OCC 1874628799 WQOPPWCAZILJAA-VOTSOKGWSA-N 441.738 6.515 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc([N+](=O)[O-])c1OCc1cccc(F)c1 1874633099 LXHGZJFMFHIKAC-PKNBQFBNSA-N 449.478 6.225 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OCC(=O)NC1CCCCC1 1874633266 UNDFJYIALZUBGM-SDNWHVSQSA-N 435.564 5.426 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)COc3cccc(C)c3C)c2)cc1 1874694197 QRYLHEDNQIFVQZ-RVDMUPIBSA-N 444.527 5.755 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2)cc1OC(=O)COc1c(C)ccc(C)c1C 1874700588 AVEONDAMEFTYBS-WYMLVPIESA-N 430.500 5.501 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)cc2[N+](=O)[O-])cc1 1875097268 CAQFOVHNMVOXFT-RIYZIHGNSA-N 441.483 5.897 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)CCCSC)c(Br)c2)c1 1875102180 OKIFWTJWAMMVIQ-CSKARUKUSA-N 449.366 5.402 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(Br)cc3)cc2)c1 1875108831 IRJLXYBRILFCMV-VGOFMYFVSA-N 449.344 6.110 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cccs3)c(Cl)c2)cc1 1875129863 XNOTUWXLNPXFEP-VZUCSPMQSA-N 426.921 5.844 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(CC)cc3)c(OCC)c2)cc1 1875130243 BYGQMDANROTQRX-RQZCQDPDSA-N 444.527 6.162 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)c1cc(C)cc(C)c1 1875131561 DINWUTMQOCSIKZ-CSKARUKUSA-N 444.527 6.053 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3C)c(Br)c2)c(C)c1 1875134742 INLAZPPVLQTVRJ-FMIVXFBMSA-N 449.344 6.490 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1cncc(C)c1 1875169411 KWXUFDRNJNOPNL-VQHVLOKHSA-N 429.516 5.748 30 10 IKEE Cc1cc(Nc2ccc(NC(=O)Nc3cccc(C#N)c3)cc2)nc(NC2CCCCC2)n1 1891682403 FUSGZQIMQKAJLO-UHFFFAOYSA-N 441.539 5.789 30 10 IKEE N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)CCc3c4ccccc4cc4ccccc34)C2)c1 1891821198 QYXMHGVMNWUQGM-JOCHJYFZSA-N 449.554 5.510 30 10 IKEE Cc1cc(Br)c([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)s1 2029266070 BENVAMZYQNOLCS-INIZCTEOSA-N 427.408 6.344 30 10 IKEE CC[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(OC)c2)CN1Cc1ccccc1 2029749950 HXBBJKVLPIPIBW-RLWLMLJZSA-N 435.568 5.384 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2032044952 QFUQYFRQWWHSDA-MHPIHPPYSA-N 441.572 5.276 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)[C@H]1CCSC1(C)C 2033645865 OJBVACVRRGAZHM-CZUORRHYSA-N 425.392 5.614 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CC(C)(C)[C@H]2OCc2ccccc2)cc1 2038723536 DHSPLOHEVZKBAS-ATIYNZHBSA-N 436.552 5.714 30 10 IKEE C=CCOc1c(Br)cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC 2053511480 VFJFICFGMPMJPG-UHFFFAOYSA-N 432.270 5.217 30 10 IKEE C=C(C(=O)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)[Si](C)(C)C 2071349695 RIJBPIQKPGLVOQ-HHHXNRCGSA-N 446.619 5.881 30 10 IKEE Cc1ccc([C@H](n2nc(C3CCC3)c(/C=N/O)c2I)C2(C)CC2)cc1 2079015716 ZBBMYAPZELYKBT-YPKZHZFPSA-N 449.336 5.261 30 10 IKEE CCc1ccc([C@H](n2nc(C(C)(C)C)c(C#N)c2I)C(C)(C)C)cc1 2079106032 AITRBQYAARWWAM-SFHVURJKSA-N 449.380 5.855 30 10 IKEE CCc1nn([C@H](c2ccc(C)c(F)c2F)C(C)(C)C)c(I)c1C#N 2079857335 ZJLKWYPWKYLMEN-MRXNPFEDSA-N 443.279 5.144 30 10 IKEE CC1(c2nn([C@@H](c3ccc(C(F)(F)F)cc3)C3(C)CC3)c(Br)c2C#N)CC1 2079883604 CXNIJYJPOSFUHJ-INIZCTEOSA-N 438.291 5.977 30 10 IKEE CCc1nn([C@H](c2ccc(C(C)C)cc2)C(C)C)c(I)c1C=NO 2079905296 XBZLYPYHKRDCFN-SFHVURJKSA-N 439.341 5.227 30 10 IKEE CC(C)Oc1ccc([C@@H](C2CC2)n2nc(C(C)(C)C)c(C=NO)c2Br)cc1 2080057396 IMTRKWXQVANVII-GOSISDBHSA-N 434.378 5.538 30 10 IKEE COc1ccc([C@@H](n2nc(C(C)(C)C)c(C=NO)c2Br)C2(C)CC2)c(F)c1 2080074074 JFQRTZDETOJHGG-QGZVFWFLSA-N 438.341 5.288 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Br)c(Cl)c1F 2102884541 VUVHIAMMZLAVEM-WMLDXEAASA-N 447.776 5.199 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)C1(C#N)CC(C2CCCCC2)C1 2151221205 FHYKFZXYJDJTNF-UHFFFAOYSA-N 433.390 6.443 30 10 IKEE C=CCN(CC[C@@H](NCCC)c1ccc(Br)c(F)c1F)C(=O)OC(C)(C)C 2155516185 HPBYDICOYUCRHQ-MRXNPFEDSA-N 447.364 5.581 30 10 IKEE CCC[C@]1(Nc2ccc(C#N)c(Br)c2F)CCCN(C(=O)OC(C)(C)C)C1 2162303077 IEXLQXWJTBCDHU-FQEVSTJZSA-N 440.357 5.442 30 10 IKEE CCCC1(CNc2ccc(C#N)c(Br)c2)CCN(C(=O)OC(C)(C)C)CC1 2162415035 PYBZAMOVRNPQFN-UHFFFAOYSA-N 436.394 5.550 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2cc(Br)ccc2C#N)c2ccccc21 2174810735 POYGVKNPCMMEIS-QGZVFWFLSA-N 428.330 5.428 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2ccc(Br)cc2C#N)c1F 2181134992 MWAIDYQCFHJWEF-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(C#N)cc2Br)C[C@H]1C1CCC1 2194111404 JWXLDZWCJZKYEL-APWZRJJASA-N 434.378 5.301 30 10 IKEE C=CCCCCCCC[C@@H](NCC)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2214615772 RGJSNLHTZNZSJB-DNQXCXABSA-N 432.649 5.991 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Br)cc1Cl 2222745770 YSGPMRFGPJMNCJ-DLBZAZTESA-N 429.786 5.060 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@@H](C#N)c1sc(Cl)cc1Br 2250677974 AORDQKQDDZPHRI-ZDUSSCGKSA-N 427.751 6.170 30 10 IKEE C=CCC1([C@@H](NC)c2cccc(Cl)c2Br)CN(C(=O)OC(C)(C)C)C1 2259399820 AWCVFIMQUVIIKW-INIZCTEOSA-N 429.786 5.176 30 10 IKEE C=CCCC1([C@@H](NC)c2sc(C)c(C)c2Br)CN(C(=O)OC(C)(C)C)C1 2266319599 FBFAKJJBCWTTPV-KRWDZBQOSA-N 443.451 5.591 30 10 IKEE CC1(C)OB(c2cnc(SC[C@@H]3CCCCC3(F)F)c(Br)c2)OC1(C)C 2283108653 XOXRLAQVVCBGKB-LBPRGKRZSA-N 448.182 5.061 30 10 IKEE C=CCN(CC[C@@H](Cc1c(F)cccc1Br)NCCC)C(=O)OC(C)(C)C 2289747939 KQUZYYPHYHQUTI-INIZCTEOSA-N 443.401 5.312 30 10 IKEE COc1cccc(C=C2SC(=NCc3ccccc3)N(Cc3ccccc3)C2=O)c1O 2293792139 UXMMXGQLBIVVGJ-UHFFFAOYSA-N 430.529 5.074 30 10 IKEE CC(C)(C)OC(=O)NCC1(C(=O)C#Cc2ccc(Br)cc2)CCCCCC1 2296290960 JEXLEQKEIBRQRG-UHFFFAOYSA-N 434.374 5.235 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)C(C)(C)C(C)(C)NC(=O)OC(C)(C)C 2296309759 AFAGXPCFPTUXKK-GOSISDBHSA-N 437.422 5.108 30 10 IKEE O=C1NC(=NN=Cc2ccc(Cl)cc2Cl)SC1=Cc1ccc(Cl)cc1Cl 2296739213 FXLZAUNOGBCPEM-UHFFFAOYSA-N 445.158 5.894 30 10 IKEE COc1ccc(C=C2CC[C@]3(C[C@H]4CCCC[C@@]4(O)O[C@H]3c3ccc(OC)cc3)C2=O)cc1 2297473625 LHZZMHLXKOFUGQ-CSZVXOJQSA-N 448.559 5.477 30 10 IKEE C=CCC(CC=C)[C@@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2301010445 PRMZASSDWNWVNY-TUACAJSNSA-N 430.633 5.622 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CCC2 2308411821 DNUYNHRJTPHRKS-OASJLCFRSA-N 442.644 5.697 30 10 IKEE COc1ccccc1C=CC(=O)c1ccc(OC(=O)c2ccccc2Br)cc1 2314429399 GJTQOBPRXLPKPJ-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1c(O)ccc2ccccc12 2318574283 JGHIZRIDLHIIMZ-UHFFFAOYSA-N 444.604 6.271 30 10 IKEE CCOC(=O)[C@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2321841179 PNAMZDZRKZHGQD-SFHVURJKSA-N 428.484 5.609 30 10 IKEE COc1ccc([C@@H](C)N2COc3ccc4c(c3C2)OC(=Cc2ccccc2OC)C4=O)cc1 2322238804 RZXZRHVZPSAVFM-QGZVFWFLSA-N 443.499 5.233 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2ccc(Cl)c(Cl)c2)cc1 2322371037 GQBVYPWPVKQMMR-UHFFFAOYSA-N 441.354 7.040 30 10 IKEE CCOc1ccccc1C=C1Oc2c(cc3c(c2C)OCN([C@H](C)c2ccccc2)C3)C1=O 2322371227 BUDYXGFUQQRIEL-LJQANCHMSA-N 441.527 5.923 30 10 IKEE Cc1ccsc1C=C1Oc2c(cc3c(c2C)OCN(CCCc2ccccc2)C3)C1=O 2322427729 PCDUUKXRZMUTIH-UHFFFAOYSA-N 431.557 5.766 30 10 IKEE CCc1ccc([C@H](C)N2COc3c(cc4c(c3C)OC(=Cc3ccncc3)C4=O)C2)cc1 2322455521 YBPCXQNHCVLVBC-SFHVURJKSA-N 426.516 5.482 30 10 IKEE O=c1c(Cl)c(NN=Cc2cccc3ccccc23)cnn1-c1ccc(Cl)c(Cl)c1 2322617433 GFSQAFHGSXNZLB-UHFFFAOYSA-N 443.721 5.792 30 10 IKEE Cc1c(OC(=O)C2CCCCC2)ccc2c1OC(=Cc1ccccc1Br)C2=O 2322747884 BTQJSHIBHHAGRH-UHFFFAOYSA-N 441.321 5.859 30 10 IKEE COc1cccc(C=CC(=O)c2cc(C)cc(C)c2OC)c1OCc1ccc([N+](=O)[O-])cc1 2322856993 ZAOGEUIYGHTDMT-UHFFFAOYSA-N 447.487 5.704 30 10 IKEE CCN(CC)C(=O)COc1c(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)cc1OC 2322894456 WVMHYZDKTWYSQH-UHFFFAOYSA-N 429.944 5.109 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2cc(C)ccc2C)cc1Cl 2322974881 FWFWIOXNTMDCGG-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE Cc1ccc(C(C)(C)C)cc1S(=O)(=O)NN=Cc1c(Cl)ccc(Cl)c1Cl 2323352841 ASNFHWKXEOXHJI-UHFFFAOYSA-N 433.788 5.565 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(OC)c1OCc1ccc(C)cc1 2323396223 KGBOQJJZCMZEEN-UHFFFAOYSA-N 438.523 6.641 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OCC(=O)N(CC)CC 2323404522 WHCQJSTWGSVOSR-UHFFFAOYSA-N 431.532 5.382 30 10 IKEE CCCOC(=O)COc1c(Cl)cc(C=CC(=O)c2ccc(CC)cc2)cc1OCC 2323471406 XVWFGQLFDSQQPT-UHFFFAOYSA-N 430.928 5.529 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cc(C)cc(C)c3)c(OC)c2)cc1 2323485722 ZKIISEQZUXEUCX-UHFFFAOYSA-N 443.543 5.788 30 10 IKEE C=C(C)COc1c(Cl)cc(C=CC(=O)c2ccc(Br)cc2)cc1OCC 2323585122 FNBFQUDDGOYRAZ-UHFFFAOYSA-N 435.745 6.352 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Cl)c1OCc1ccc(Cl)cc1 2323937436 MYJCHMGRFRTOFE-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE CCc1ccc(C=C2Oc3c(CN4CCCc5ccccc54)c(O)cc(C)c3C2=O)cc1 2324025527 LEDAOZRESLTUBJ-UHFFFAOYSA-N 425.528 5.832 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OCc1ccccc1 2324055049 NMFHSBVOKJOHIU-UHFFFAOYSA-N 434.963 7.121 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OCc3cccc(Cl)c3)c([N+](=O)[O-])c2)cc1 2324066254 QWFPMJUGCQZTGR-UHFFFAOYSA-N 449.934 7.021 30 10 IKEE C=CCOc1c(Cl)cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc1OCC 2324221089 XOKOCQNXXPFSNR-UHFFFAOYSA-N 428.956 6.506 30 10 IKEE Cc1c(O[C@H](C)C(=O)OC(C)C)ccc2c1OC(=Cc1cccc(Br)c1)C2=O 2324305512 XDVZVADCVAUGJR-CQSZACIVSA-N 445.309 5.093 30 10 IKEE CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1C)OC(=Cc1ccco1)C2=O 2324325254 MSYVRRYHXZLKMH-INIZCTEOSA-N 433.460 5.009 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OCC(=O)OCC(C)C 2324353663 GHRPFKJYNBGXFY-UHFFFAOYSA-N 438.564 5.793 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OCc3ccccc3)c(OC)c2)c1 2324404402 UQSOBLCXXSRPAP-UHFFFAOYSA-N 432.516 5.968 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3)c([N+](=O)[O-])c2)c(C)c1 2324561024 BUPJSHRZCVBESO-UHFFFAOYSA-N 444.487 5.434 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OCc1c(F)cccc1Cl 2324567773 ZXRLWKNMKBBXIK-UHFFFAOYSA-N 438.926 6.888 30 10 IKEE Cc1cc(OCCOc2ccccc2F)cc2c1C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)O2 2324857674 AITZNJFVKLEFME-UHFFFAOYSA-N 435.407 5.116 30 10 IKEE COc1ccccc1CC(=O)Oc1cccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)c1 2325669157 KFPOBHWPDNICMD-UHFFFAOYSA-N 448.518 6.406 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccccc1OC)C2=O 2325737505 WKFUSEDKZSRGMQ-UHFFFAOYSA-N 443.499 5.200 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3cccc(C=CC(=O)c4ccc5c(c4)OCO5)c3)c(C)c2c1 2325747673 FLWAURZZSSBOLE-UHFFFAOYSA-N 439.467 5.629 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2cccc(C=CC(=O)c3ccc(C(C)C)cc3)c2)c1 2325750561 AKMJDUOGEKHCRU-UHFFFAOYSA-N 444.527 5.871 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(F)c(F)c1 2325753625 IILQVLVMVDFKCJ-UHFFFAOYSA-N 433.237 6.387 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2cccc(C=CC(=O)c3c(C)cc(C)cc3C)c2)cc1 2325764670 DVIJKISOQBTCLL-UHFFFAOYSA-N 442.555 6.581 30 10 IKEE CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccccc1OC(C)C 2326099392 JFMFMEYNVFWKRB-UHFFFAOYSA-N 444.988 5.519 30 10 IKEE Clc1ccccc1OCc1nnc(SCc2ccccc2)n1N=Cc1ccncc1 2327656210 FALJGOZAEZAGPQ-UHFFFAOYSA-N 435.940 5.080 30 10 IKEE CCCSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(Br)cc1 2329599768 VIKCKQRAAHBCGN-UHFFFAOYSA-N 435.778 5.745 30 10 IKEE CCSc1nnc(CCc2cccs2)n1N=Cc1cc(Br)ccc1F 2329654463 MQVVUOSAIWKTAI-UHFFFAOYSA-N 439.379 5.021 30 10 IKEE Oc1ccc(Cl)cc1C=Nn1c(CC2CCCCC2)nnc1SCc1ccccc1 2330271516 XHGVTFQHPKXUOT-UHFFFAOYSA-N 441.000 5.934 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3cccs3)n2N=Cc2ccccc2O)c1 2330393153 CVTXMBXFEFWNJZ-UHFFFAOYSA-N 434.590 5.427 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccccc2)n1N=Cc1cc(Cl)ccc1O 2330459194 UHNLXCMUZMZKBL-UHFFFAOYSA-N 448.979 5.711 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1ccc(F)cc1 2330705143 ITYBYEAFORQUDI-UHFFFAOYSA-N 430.475 5.828 30 10 IKEE Cc1ccc(CSc2nnc([C@H]3CCCO3)n2N=Cc2c(Cl)cccc2Cl)cc1 2330888731 RBGIFQUIDKLKMI-LJQANCHMSA-N 447.391 5.919 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Br)c2)ccc1OC(=O)c1ccccc1 2331009351 ZUIJTIPUSZVMAX-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc3c(c2)OCO3)c(Cl)c1)c1ccc(Cl)cc1 2331144003 ZEJBKTNUDIYGMI-UHFFFAOYSA-N 441.266 5.837 30 10 IKEE FC(F)(F)c1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(Cl)cc1 2331149861 HVICRHHYDDNBLL-UHFFFAOYSA-N 446.885 6.278 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)c1sccc1C 2331279310 HMCNZQSJPRSWKF-UHFFFAOYSA-N 440.948 6.532 30 10 IKEE COCCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccccc1C 2331295588 FGZIAJQIGTXNKE-UHFFFAOYSA-N 435.380 5.257 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3OC)cc2OC)cc1 2331376636 AWVJYKVCIVUHFE-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 2331376845 CJHRBCIAEJYLCG-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE CCCSc1nnc(CC(C)C)n1N=Cc1ccc(OCc2ccccc2)c(OC)c1 2331463984 MDWRGSIBIXTICB-UHFFFAOYSA-N 438.597 5.449 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)c1ccc(F)cc1F 2331521127 FMNCCZKWDPKWDC-UHFFFAOYSA-N 442.389 5.236 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CC(C)(C)C)c([N+](=O)[O-])c2)c(C)c1C 2331618156 OFFWABSTEVHXLF-UHFFFAOYSA-N 425.481 5.458 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2ccc(C(C)C)cc2)c1 2331684611 ZSPDKHQHEOOGCM-UHFFFAOYSA-N 435.597 5.446 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3ccccc3)nnc2C(C)C)cc1OCC 2331698191 MGFIJJOBBQYDEC-UHFFFAOYSA-N 438.597 5.764 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)cc3OC)cc2)cc1 2331716885 ISGTULOCABCWQQ-UHFFFAOYSA-N 444.527 5.701 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C3CC3)n2N=Cc2ccc(C(C)C)cc2)c1C 2331725084 OQASQIMCTWQHDT-UHFFFAOYSA-N 447.608 5.509 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc(Br)c1OC(C)=O 2331801082 DXGOQTTYRMOBIJ-UHFFFAOYSA-N 445.353 5.885 30 10 IKEE CC(C)[C@@](C)(COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339585140 KVYIBZOHRDMOFJ-XMMPIXPASA-N 446.397 5.044 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1C(C)(C)C(=O)C#Cc1cccc(Br)c1 2363498949 LSELNEIBBSWJMY-GOSISDBHSA-N 434.374 5.186 30 10 IKEE CC(C)(C)OC(=O)N[C@@]1(C)C[C@H]2CC[C@H]1C[C@@H]2Nc1ccc(C#N)cc1Br 2380855854 KZDRCPYABQIFJP-DQTJMLIDSA-N 434.378 5.205 30 10 IKEE COc1ccccc1/C=N/c1ccc(Cc2ccc(/N=C/c3ccccc3OC)cc2)cc1 1952293 XDCSJIINVFSPAY-OQIGUVFWSA-N 434.539 6.796 30 10 IKEE N#CC1(c2ccccc2)C/C(=C/c2ccc(Cl)cc2)C(=O)/C(=C/c2ccc(Cl)cc2)C1 3322946 YSGMUAQEMWZWRI-BILXGNRESA-N 444.361 7.285 30 10 IKEE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccn1)C1=C(C[C@H](c3cccs3)CC1=O)N2 18199856 FWIDXZPEWAYOTL-SSOJOUAXSA-N 438.556 5.595 30 10 IKEE O=C1CCCC2=C1[C@@H](c1cccs1)N(S(=O)(=O)c1ccccc1)c1ccccc1N2 21722849 JAXVMSWGKWXILJ-HSZRJFAPSA-N 436.558 5.117 30 10 IKEE COc1cc(/C=N\Nc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1O 31854521 JXWCVHWRPIREDC-ZBKNUEDVSA-N 438.734 5.386 30 10 IKEE O=C(/N=C(/NCCc1c[nH]c2ccccc12)Nc1ccc(F)c(Cl)c1)c1ccccc1 32943460 CJRJAFLKKHQNHP-UHFFFAOYSA-N 434.902 5.401 30 10 IKEE CCCCSc1nc(-c2ccc(OCCC(C)C)c(C)c2)cc(C(F)(F)F)c1C#N 39858411 JCJFBPUDRFHMLJ-UHFFFAOYSA-N 436.543 7.265 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)S/C1=N/c1cccc(C)n1 39863436 VNGKYZXBUVIKJO-YJECAWTJSA-N 446.488 5.348 30 10 IKEE CCCCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/Nc2ccc(F)cc2)CCC3)cc1 40823857 WYZHFTPBRGQCAN-JBASAIQMSA-N 449.526 6.311 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCc4cccc(F)c4)ccc3C2=O)c(OC)c1OC 41509975 UTCJNCXGVKOREM-UUYOSTAYSA-N 436.435 5.047 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(N(C)C)cc1)C3=O)CN(Cc1ccccc1)CO2 41589384 ORYADLHPTMAKIM-CFRMEGHHSA-N 426.516 5.029 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)CSc2n[nH]c(N/N=C(/C)c3ccc(C)cc3)n2)cc1 59021224 SNZDJJMAVWFAGW-CCZPVOIUSA-N 436.585 5.194 30 10 IKEE O=C1/C(=N/NC(=S)Nc2ccccc2)c2ccccc2N1Cc1cccc2ccccc12 59147931 NYTRQCAAOYQENJ-ZZIIXHQDSA-N 436.540 5.077 30 10 IKEE CCCCCCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc([N+](=O)[O-])cc1 59503808 KOOQSRKTRUFHRG-QHCPKHFHSA-N 448.523 5.747 30 10 IKEE C=CCn1c(SCc2nnc(-c3ccc(F)cc3)o2)nnc1-c1cccc(Cl)c1 59794871 QLJDGCFWRJGYQP-UHFFFAOYSA-N 427.892 5.266 30 10 IKEE COc1ccc(-c2nc(SC)nc(Nc3ccc(Cl)c(Cl)c3)c2C#N)cc1OC 62039743 VIDGQIOJMQXPOH-UHFFFAOYSA-N 447.347 5.805 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(ccc(OC(=O)c4cccs4)c3C)C2=O)cc1 62851177 WVOQALKJSUQJDN-QNGOZBTKSA-N 433.529 5.738 30 10 IKEE CCCCCCCCCCCCCCCCNCC(=O)Nc1ccc(O[C@H](C)CC)cc1 100055821 PPLYJAWRJOBBDK-RUZDIDTESA-N 446.720 7.873 30 10 IKEE CCCCCCCCCCCCn1c([C@H](C)NC(=O)c2ccccc2)nc2ccccc21 102113720 AKFLZCFZOVZLAW-QHCPKHFHSA-N 433.640 7.448 30 10 IKEE CCOc1ccc(C(=O)/C(=C/c2cccc(OC)c2OC)c2nc3ccccc3s2)cc1 102858811 WRYNQFBHUANZOU-SILNSSARSA-N 445.540 6.136 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)NCCOc1ccc(C)c(C)c1 105432742 MPWQMLHCTOSSOT-UHFFFAOYSA-N 431.705 8.060 30 10 IKEE C=CCn1c(C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)c(C)c2cc(C(C)C)ccc21 169869960 QGEKWGRAGMMHED-UHFFFAOYSA-N 448.519 5.085 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1cc(C)ccc1C 169943731 OMUNFXRYOCJMPU-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1c1ccc(C)cc1 169944659 BEMIJFAEWGLSNN-DEOSSOPVSA-N 439.467 5.533 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(OC(C)C)c1 169981038 ZQYPQTGEBGBGGH-JOCHJYFZSA-N 441.955 5.896 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2c[nH]c3ccccc23)c1 170074383 BJHGCVLOHAWUNX-VWLOTQADSA-N 436.511 5.876 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccc(C)c2)c1 170140848 JZNLJMAFXDDQHT-XMMPIXPASA-N 443.499 5.104 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2cccs2)c(C)c1 170160800 CAJLYKYYURQFBP-QHCPKHFHSA-N 447.556 5.935 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)c(Cl)c2)[C@H]1c1cccs1 170164970 DDHJJDVYVOFTSL-MRXNPFEDSA-N 440.348 5.442 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1F)c1ccc(Cl)c(Cl)c1 170249137 UHRAPZMKMVGFRE-HXUWFJFHSA-N 442.273 5.915 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cc(Cl)ccc3OC)=C(O)C(=O)N2C2CCCC2)cc1 170268453 YUKYCDPPSPOGHV-QFIPXVFZSA-N 439.939 5.432 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(OCC(C)C)c3)=C(O)C(=O)N2C2CCCC2)cc1 170268508 OSKICBUKEOAYEX-VWLOTQADSA-N 447.575 5.805 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccccc1C 170276151 LWZKGQDAEZSTPO-DEOSSOPVSA-N 448.607 5.131 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccco2)cc1 170281054 CPEQMWAGQLUTCP-XMMPIXPASA-N 445.515 5.973 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccco1)c1ccc2ccccc2c1 170287035 MYYJJCHOMQQZPD-JOCHJYFZSA-N 429.859 5.869 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2ccc(C)o2)c1 170297637 HBSFVJOXLQFPGL-HSZRJFAPSA-N 447.487 5.168 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1Cc1ccco1 170316382 QNNXVMMIAFRCFD-NRFANRHFSA-N 429.497 5.581 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3cc(Cl)ccc3OC)=C(O)C(=O)N2CCC)c1 170323469 UEYMEXGOFIMQCB-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE C=CCOc1cccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2CCCC)c1 170324014 JDSJZKZFVOZPTQ-HSZRJFAPSA-N 430.504 5.111 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(C(C)C)cc2)cc1 170452289 SLROJYBWRDJPSE-SANMLTNESA-N 448.607 6.171 30 10 IKEE CCOc1cc([N+](=O)[O-])cc(C=Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c1O 254518443 DJNZEVGQICJWKW-UHFFFAOYSA-N 431.448 5.875 30 10 IKEE CN=c1scc(-c2ccc(-c3ccccc3)cc2)n1N=Cc1cccc(Br)c1 263629536 SMSUDGMFUARESX-UHFFFAOYSA-N 448.389 6.059 30 10 IKEE N#Cc1c(Br)cccc1Nc1cc(I)ccc1Cl 310690986 QKFRLNFFDWOHAH-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(F)cc2)c1 526603391 DLSKDFHOIAARQX-XMMPIXPASA-N 428.463 5.543 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Cl)cc2)c1 526744985 VYCAMNZYGLNFCP-HSZRJFAPSA-N 447.918 5.912 30 10 IKEE Cc1nnc(SCc2ccccc2)n1/N=C\c1ccc(OC(C)C)c(Br)c1 526799474 LLAWCSIIHUEJJY-UUYOSTAYSA-N 445.386 5.311 30 10 IKEE CCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1cc(Cl)c(OC)c(Cl)c1 526809469 GLJUMOIKUDFJAA-MYKKPKGFSA-N 449.407 5.947 30 10 IKEE Cc1cc(C)cc(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccccc2Cl)c1 526811044 ZLYQSFDYNCGZDS-YUMHPJSZSA-N 447.007 6.314 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1ccc(C(F)(F)F)cc1 526812146 ZUUPGBYGENUGNI-ZMFRSBBQSA-N 432.515 6.041 30 10 IKEE C=C(C)CN(c1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586243770 VHPKVYSDKJQWDG-UHFFFAOYSA-N 439.408 5.755 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@H](C#N)c1c(F)cccc1Br 698991762 VCRRJFFPHRNNJU-MRXNPFEDSA-N 439.712 6.248 30 10 IKEE O=C(/C=C\c1ccc(OCCN2CCC(C(F)(F)F)CC2)cc1)c1ccc(Cl)cc1 725420558 VAXFYLAHNCUINE-KMKOMSMNSA-N 437.889 5.889 30 10 IKEE CC(C)[C@@H]1CC[C@H](C)/C(=C/Nc2ccccc2N/C=C2/C(=O)[C@@H](C(C)C)CC[C@H]2C)C1=O 820728993 DKFUOMWETOKXBE-NUZJKQTDSA-N 436.640 6.821 30 10 IKEE C=C1CC[C@H](O)C/C1=C/[C@H](O)[C@@]1(O)CCC[C@@]2(C)[C@H]([C@@H](C)/C=C/[C@@H](C)C(C)C)CC[C@@H]21 1084294704 KXILCRGOVVVVRF-COXBYDAHSA-N 430.673 5.807 30 10 IKEE Cn1cc(C(Cc2ccccc2)=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21 1084311965 LRQSMSLRTBSDOL-UHFFFAOYSA-N 429.436 5.054 30 10 IKEE COc1ccc(Oc2ccc(N=Cc3cc(Br)c(N4CCCC4)o3)cc2)cc1 1084388513 BJKMJRVZKGWLPZ-UHFFFAOYSA-N 441.325 6.194 30 10 IKEE COc1ccc(C(CSc2nc3ccccc3o2)=NNc2cccc([N+](=O)[O-])c2)cc1 1084470702 ZLZUWEZMHZYLOK-UHFFFAOYSA-N 434.477 5.353 30 10 IKEE CN1C(=O)C[C@H](C(=O)Nc2cccc(Cl)c2)SC1=Nc1ccc(Cl)c(Cl)c1 1084524017 NSCZDITUVZHZPQ-OAHLLOKOSA-N 442.755 5.237 30 10 IKEE Cc1c(OC(=O)c2ccccc2F)ccc2c1CCCC2=NOC(=O)c1ccccc1F 1084613940 OUNIBEULZABPSK-UHFFFAOYSA-N 435.426 5.390 30 10 IKEE Cc1ccccc1/C=N/N=C1/S/C(=C/C=C/c2ccccc2)C(=O)N1Cc1ccco1 1615304291 DPYAJECKBJBKRU-YRPRNYERSA-N 427.529 5.651 30 10 IKEE CC(C)c1ccc(C[C@@H]2SC(=Nc3ccc(C(=O)O)cc3)N(Cc3ccco3)C2=O)cc1 1772728222 XHRACSRRSIVRHI-QFIPXVFZSA-N 448.544 5.476 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=Nc1ccccn1 1772730542 BRVXUQNYRRAPAQ-JLFKZYKSSA-N 444.343 6.272 30 10 IKEE O=C1/C(=C/c2ccc(O)c(O)c2)SC(=Nc2cccnc2Cl)N1C1CCCCC1 1772732433 DZHQTKBFMQNWCB-YIFJCWOOSA-N 429.929 5.083 30 10 IKEE N#Cc1cccc(C(=O)Nc2cc(C(=O)N(Cc3ccccc3)Cc3ccccc3)ccn2)c1 1860541135 KCJQKFMHMHFKAM-UHFFFAOYSA-N 446.510 5.048 30 10 IKEE N#Cc1cccc(C(=O)N2CC=C(c3ccc(OC(=O)/C=C/c4ccccc4)cc3)CC2)c1 1860685176 WGYNUWZSLYZGFC-NTEUORMPSA-N 434.495 5.107 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Sc2nc(O)c(C#N)c(-c3ccccc3Cl)n2)cc1 1860827625 WPDICPHVMMQORP-ZDUSSCGKSA-N 438.940 5.056 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2ccc(CC)cc2)cc1 1862390560 GTXTUKFRANLQDP-RUZDIDTESA-N 449.591 5.333 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(C(C)(C)C)cc1 1862449005 ABFCYBDUTCTPHC-YCRPNKLZSA-N 425.956 6.014 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2[C@@H](C)CC)c1 1862450028 XZYMMQAWDNODHM-BTYIYWSLSA-N 427.928 5.506 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(Cl)cc1)c1c(F)cc(F)cc1F 1862458978 ZFQSIKGNPRBMIO-IBGZPJMESA-N 447.796 5.129 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2cccc(OC)c2)cc1 1862530528 RUSBJUQVLUUCFH-BVZFJXPGSA-N 441.527 5.597 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCCCN(C)C)c1 1862613686 NEARFLMVBYCBLQ-DEOSSOPVSA-N 448.607 5.213 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862659648 BYUODMDLMLVWKM-IBVKSMDESA-N 439.555 6.458 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(C(C)C)cc2)=C(O)C(=O)N1CCc1cccs1 1862662148 IOIXDOMWTMJCKY-DEOSSOPVSA-N 445.584 6.001 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1 1862663524 SOZCTGUTHIZDSG-RUZDIDTESA-N 448.607 5.293 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(OC)c(OC)c1 1862669404 VPQRMXYVCTZFCJ-HJPURHCSSA-N 437.536 5.204 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc3cc[nH]c3c2)c1 1862701633 JTZSPVPSFYSESO-QHCPKHFHSA-N 430.504 5.088 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)cc1 1862746877 KISWLWMFZOICDZ-SAWYMBPVSA-N 434.492 5.060 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(F)c(C)c2)C(=O)N(CCC(C)C)C1=O 1863797029 VZWRUEYTKZCMJZ-UHFFFAOYSA-N 430.608 5.990 30 10 IKEE CC(C)c1cc(C(=O)Nc2c(C#N)c(-c3ccccc3F)nn2C)c2cc(F)ccc2n1 1866279662 AYWXBFDGXVFYQN-UHFFFAOYSA-N 431.446 5.161 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)c2cccc3ccccc23)n(-c2ccccc2Cl)n1 1870004155 WTDDHJGXXUOBIS-UHFFFAOYSA-N 443.938 5.505 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2F)c(=O)cc1CN1CCC[C@@H](C)C1 1870342397 SSGNEVASCPPAHZ-JOCHJYFZSA-N 442.619 6.159 30 10 IKEE CCCCCCCCCCn1cc(OCCCC)c(=O)cc1CN(CCO)CCCC 1870662941 DCSSOKXKSDVBQG-UHFFFAOYSA-N 436.681 5.762 30 10 IKEE CCCCCCCOc1cn(C[C@H]2CCCO2)c(CNc2ccccc2CC)cc1=O 1870833904 ZGXYIWQDFUSOLE-HSZRJFAPSA-N 426.601 5.551 30 10 IKEE CCCCCCCOc1cn(Cc2ccco2)c(CNc2ccc(F)c(Cl)c2)cc1=O 1870836412 MZMHHEGBPSWYNS-UHFFFAOYSA-N 446.950 6.243 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2F)c(CNc2ccc(F)cc2)cc1=O 1870838711 QBRKWCIXUWAMFT-UHFFFAOYSA-N 440.534 6.136 30 10 IKEE CCCCCCCCCCn1cc(OCC(C)C)c(=O)cc1CNc1ccc(F)c(F)c1 1870858423 JCGPMGNNXOGRQN-UHFFFAOYSA-N 448.598 6.914 30 10 IKEE CCCCCCCCCCn1cc(OCC(C)C)c(=O)cc1CNc1ccc(CC)cc1 1870858593 PPJMBLICIZLVQF-UHFFFAOYSA-N 440.672 7.198 30 10 IKEE Cc1cccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCc2ccccc2)c1 1871250980 HHASHTDUBWTZKZ-UHFFFAOYSA-N 449.554 5.462 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3c(ccc4c3CN(C3CCCCCCC3)CO4)C2=O)cc1 1871349401 RYCHNEXTRPTDRI-QQXSKIMKSA-N 431.576 6.691 30 10 IKEE CCCCC[C@@H](CC)N1COc2c(cc3c(c2C)O/C(=C\c2ccc(OC)cc2)C3=O)C1 1871353177 ILUNZDNYTBBWRU-ZPZBNPFISA-N 435.564 6.131 30 10 IKEE COc1ccc([C@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2ccc(C)cc2)C4=O)cc1 1871354451 QUMOTJMMECJDGG-BDFPJNNISA-N 427.500 5.533 30 10 IKEE CCOc1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871379991 QQNXJNJFOKBSKI-QIIGYZROSA-N 440.495 5.937 30 10 IKEE COc1ccc(OC)c(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)c1 1871380400 MTMOLDFBRPGLDK-IWUWHTKDSA-N 446.430 5.078 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2cccc(F)c2)C3=O)c1 1871411873 LBADYRMSUZXOAU-SMNNTEATSA-N 445.490 5.773 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCCOc4ccc(C(C)(C)C)cc4)ccc3C2=O)cc1 1871415020 RMOKOBUGKYVJFV-ONUIUJJFSA-N 428.528 6.367 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871454276 GNJNUYNMWGOHEI-XKZIYDEJSA-N 433.891 5.591 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4C(C)C)ccc3C2=O)cc1 1871455981 GUNBTDMUQZSTII-QFEZKATASA-N 443.499 5.452 30 10 IKEE COc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871457079 OEFULKJXWQNOGV-XKZIYDEJSA-N 449.890 5.291 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4cc(Cl)ccc4C)c3C)C2=O)o1 1871457735 WHGKTBMKTHEDKY-NHDPSOOVSA-N 437.879 5.492 30 10 IKEE C=CCN(CC=C)c1nc(=NCCCCCCCCCC)nc(Nc2ccc(F)cc2)[nH]1 1871516184 PVGGENVVZVEQQL-UHFFFAOYSA-N 440.611 5.907 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1871876248 HZMWSSBBPPQPKK-JOCHJYFZSA-N 449.016 5.331 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4nc(C)c(C)nc4c3)n2)cc1 1872767839 BBHUZNWXLDVNEO-LJQANCHMSA-N 428.517 5.259 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)n2)cc1 1872768119 JQOJNFUIIBAQHW-VGSWGCGISA-N 434.561 5.976 30 10 IKEE CC(C)(C)c1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 1872773455 OBAFMTSSCDIOLI-CBFKJKJLSA-N 442.628 7.295 30 10 IKEE N#C[C@H](C(=O)c1cccc(Oc2ccccc2)c1)c1nc(-c2cccc3ccccc23)cs1 1872775377 PCROAUNIFVZLDP-RUZDIDTESA-N 446.531 7.246 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)Cc2cccc3ccccc23)n1 1872785212 INBPYGZKYVUIHK-DEOSSOPVSA-N 438.596 6.988 30 10 IKEE Cc1cc(OCc2nc3ccc(C(=O)Nc4ccc(C#N)cc4)cc3[nH]2)cc(C)c1Cl 1872804663 FFDZAZZYTYOMAK-UHFFFAOYSA-N 430.895 5.536 30 10 IKEE O=C(Nc1ccc(F)c(F)c1)c1ccc(COc2c(F)c(F)c(F)c(F)c2F)cc1 1872864948 WLUDMCJPCHNGDC-UHFFFAOYSA-N 429.291 5.492 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2OCC(C)C)=C(c2ccc(Cl)c(Cl)c2)C1=O 1873187613 SWFBQYOQPOJMDB-UHFFFAOYSA-N 445.346 5.406 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(OCCC)cc2)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873276928 VSNQGJGDKMNMKM-UHFFFAOYSA-N 438.527 5.520 30 10 IKEE O=c1c(Cl)c(N/N=C/c2ccc(Cl)c(Cl)c2)cnn1-c1cccc(Cl)c1 1873526687 RDUMHNNKAFRAPD-GZIVZEMBSA-N 428.106 5.292 30 10 IKEE C=CCn1c(C(=O)Nc2cc(C)ccc2C)cc2c(NCCc3ccccc3)ncnc21 1873607164 LEQQQEQTNCFAGN-UHFFFAOYSA-N 425.536 5.141 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3cc(C)ccc3OCCC)c(=O)oc2c1C 1873959505 KZECPEQCEJQNIK-UHFFFAOYSA-N 449.547 5.643 30 10 IKEE CCCSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1ccc(OC)cc1 1874226457 LVCQHBVUEZCPOT-KOEQRZSOSA-N 438.597 5.299 30 10 IKEE Fc1ccccc1CSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccc[nH]1 1874267976 ZEJMFBIUMCCSGF-BRJLIKDPSA-N 441.919 5.152 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1ccc(C(=O)O)cc1 1874287372 BHJVHQNAXFQVOO-LFVJCYFKSA-N 426.586 5.601 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2C)n1/N=C/c1cc(Cl)ccc1O 1874362611 NKMIPCDXTNSONQ-ZMOGYAJESA-N 426.973 5.281 30 10 IKEE C=CCSc1nnc(Cc2ccccc2F)n1/N=C/c1c(OC)ccc2ccccc12 1874376665 HQKBCDPJXVHFFG-WGOQTCKBSA-N 432.524 5.330 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2)n1/N=C/c1c(OC)ccc2ccccc12 1874384191 DAWQYLARFRFFDA-CVKSISIWSA-N 444.560 5.569 30 10 IKEE COc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2Cl)cc1 1874418460 QMBATGPYWQPSFO-WGOQTCKBSA-N 448.979 5.705 30 10 IKEE CSc1nnc(-c2cccs2)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874420439 MMPRSRKKUHHVSM-YDZHTSKRSA-N 440.981 5.843 30 10 IKEE Oc1cccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2-c2cccs2)c1 1874425474 LDZNPSKVSWPPBL-FOKLQQMPSA-N 444.944 5.679 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2ccccc2F)nnc1[C@@H]1CCCO1 1874446072 RXKVMIIZWHECNE-XAOCGEIJSA-N 438.528 5.008 30 10 IKEE Cc1cccc(CSc2nnc([C@H]3CCCO3)n2/N=C/c2cn(C)c3ccccc23)c1 1874448061 RVPILXKXJWDAEP-FDCKDHBTSA-N 431.565 5.104 30 10 IKEE COCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1c(F)cccc1Cl 1874472460 HAJUEBXCCHAANB-FOKLQQMPSA-N 439.343 5.087 30 10 IKEE Cc1cccc(CSc2nnc(C(C)(C)C)n2/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 1874484016 ZRPSGVOQNXJLLS-FSJBWODESA-N 443.960 5.620 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2cccc(Cl)c2)c1C 1874517615 CORNRZBOSGHTKR-WYMPLXKRSA-N 439.972 5.039 30 10 IKEE CCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccc(F)cc1 1874542154 MFJSHFVMVLQDFK-AFUMVMLFSA-N 446.979 5.693 30 10 IKEE CCc1ccc(/C=N/n2c(CCCOc3cc(C)c(Cl)c(C)c3)nnc2SC)cc1 1874542228 POMASXAESLVGPP-MFKUBSTISA-N 443.016 5.726 30 10 IKEE CCOc1cc(/C=N/n2c(S)nnc2C(C)(C)C)ccc1OCc1ccccc1Cl 1874559278 IINGOERERHSFGQ-ZMOGYAJESA-N 444.988 5.378 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2cccc3ccccc23)cc1 1874572799 GLNBZPLBCIQNEM-JQIJEIRASA-N 426.943 7.531 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OCc1nc(O)c2ccccc2n1 1874596468 WPHCIVFZMNGEFD-ZRDIBKRKSA-N 440.499 5.436 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)c1ccc2ccccc2c1 1874602247 BPELEKSGIORKGD-NTUHNPAUSA-N 433.334 7.622 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3C)c(Cl)c2)c1 1874605606 WNIAQPIDDYIMEN-ZRDIBKRKSA-N 435.907 5.571 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OCC(=O)Nc1nccs1 1874617860 XEMISCROAGCUDE-RMKNXTFCSA-N 436.533 5.072 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Cl)c1OCC(=O)OCC(C)C 1874625948 FBPSDPLDFHBWMB-QPJJXVBHSA-N 438.854 5.101 30 10 IKEE CCCc1ccc(OCC(=O)Oc2cc(/C=C/C(=O)c3ccccc3)ccc2OC)cc1 1874700621 COUJFBLTGGWZOF-FOWTUZBSSA-N 430.500 5.528 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OC(=O)c1cccc2ccccc12 1874700627 CWEHREXLYGQKDY-OQLLNIDSSA-N 442.898 6.617 30 10 IKEE CCOc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(Cl)cc3)c2)cc1 1874701022 XUYTXWQVMPHQRV-GIDUJCDVSA-N 436.891 5.619 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(Br)cc3)c2)cc1 1874702993 UIXKYQRIDTVHEA-NTEUORMPSA-N 435.317 5.802 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1OC(=O)c1ccc(C)c(C)c1 1874704780 ZNPLHNRFQKYYKM-DHZHZOJOSA-N 430.500 5.744 30 10 IKEE COc1cc(C(=O)/C=C/c2cccc(OC(=O)c3cccc(C)c3)c2)c(OC)cc1Cl 1874711878 MGNORTSCUSWYBG-ZHACJKMWSA-N 436.891 5.781 30 10 IKEE Cc1cc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)cc2)ccc1F 1875096830 HNMVSLSYLWEHSN-OQLLNIDSSA-N 428.503 6.057 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)c(C)c3)c([N+](=O)[O-])c2)cc1 1875100540 GJWDPDLBWIZGGA-KPKJPENVSA-N 447.462 5.649 30 10 IKEE COCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1OC 1875134500 VEXLQNQCRDVMPX-ZZXKWVIFSA-N 443.710 5.493 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc(OC)cc(OC)c3)cc2)cc1 1875137256 DICXWPVWMUOOQW-VGOFMYFVSA-N 446.499 5.608 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Br)c1OC(=O)CC(C)C 1875140351 BMMABAOFKYXKNP-CMDGGOBGSA-N 445.353 5.922 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccccc2Cl)c(Cl)c1 1875143159 LMQNHBPSISFRBK-CSKARUKUSA-N 441.310 6.426 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)C(C)(C)C)c(Br)c2)c(C)c1C 1875167342 ZUFNRPZIHFSBBO-JXMROGBWSA-N 445.353 5.922 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cc(Cl)ccc3Cl)cc2)cc1C 1875176180 ZUOVWMVXPJKORY-WUXMJOGZSA-N 439.338 6.654 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)[C@H](C)Oc3cccc4ccccc34)ccc21 1891250858 KLNKLDUYNXXUNF-SFHVURJKSA-N 444.531 5.183 30 10 IKEE N#Cc1ccnc(OCC2CCN(C(=O)[C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 1891449631 WEEXZQUPGSEUCD-VWLOTQADSA-N 445.950 5.056 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@]1(C#N)Nc1ccc(Br)cc1 1924920277 KJFDSPBSOOWVDA-QVKFZJNVSA-N 434.378 5.228 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1926494076 PSBBLELRVYLWKE-NYHFZMIOSA-N 435.952 5.231 30 10 IKEE Cc1cc(Br)c(F)c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)c1 1927537447 GCHDDPRRSWHFLF-QGZVFWFLSA-N 437.284 6.042 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1944587230 BITFQKHCNYDTNF-MWTRTKDXSA-N 449.979 5.669 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@@]1(C#N)CCCC[C@H]1OCc1ccccc1 1998813183 GEGLDWPPSBBGJO-RCZVLFRGSA-N 440.971 6.503 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@@H](C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2021497965 PDGITEZCJOEEAY-MOPGFXCFSA-N 429.561 5.356 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)cc1Br)NCC 2028184813 PUYHSJGCZMYSCJ-SJORKVTESA-N 431.802 5.093 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(Cc3ccccc3)C[C@@H]2C)c1 2037425924 ICSKCJBZWXBKEG-FNZWTVRRSA-N 435.568 5.241 30 10 IKEE C=CCN(CC[C@H](Cc1cc(Cl)ccc1Br)NC)C(=O)OC(C)(C)C 2037971008 YAJXNGAYWWXKPV-MRXNPFEDSA-N 431.802 5.046 30 10 IKEE CC(=O)N(c1nc(C=CC(=O)c2ccccc2C(F)(F)F)cs1)c1c(C)cccc1C 2041078004 LPDAQFYGEIOTBQ-UHFFFAOYSA-N 444.478 6.359 30 10 IKEE CC[C@@]1(Nc2ccc(Br)cc2C#N)CCCN(C(=O)OCc2ccccc2)C1 2043970306 ILJNRJFYZSRAAS-JOCHJYFZSA-N 442.357 5.314 30 10 IKEE Cc1ccc([C@H](n2nc(C(F)(F)F)c(/C=N/O)c2Br)C2(C)CC2)c(C)c1 2079088384 BJDMKCBWEIISPY-RRDOOKONSA-N 430.268 5.479 30 10 IKEE CCCc1ccc([C@H](C)n2nc(C(C)(C)C)c(C=NO)c2I)cc1 2079886003 WRVYZOTUICRXFD-ZDUSSCGKSA-N 439.341 5.155 30 10 IKEE C[C@H](c1ccc(C2CCC2)cc1)n1nc(C(F)F)c(C#N)c1I 2080002507 YNOFYHSCBMTCED-SNVBAGLBSA-N 427.236 5.174 30 10 IKEE CCOc1ccc(C(F)(F)F)cc1-n1nc(C2CCCC2)c(C#N)c1Br 2080305986 FBLCPCLEENPDTN-UHFFFAOYSA-N 428.252 5.582 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1sc(C)cc1Br 2089744067 SHJXHZSXPUISBI-OAHLLOKOSA-N 437.359 5.834 30 10 IKEE C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2134990296 WOJQDMOIORPNEZ-IBGZPJMESA-N 447.409 5.451 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CC[C@@H](Nc3cccc(Br)c3C#N)C2)CC1 2162329648 SZBXVPAJRGRGAQ-OAHLLOKOSA-N 434.378 5.302 30 10 IKEE CC(C)(C)OC(=O)N1CCN(c2cccc(Br)c2C#N)C2(CCCCC2)C1 2174807324 AHQVBZKRMVIUKA-UHFFFAOYSA-N 434.378 5.081 30 10 IKEE C=CCCCC[C@H](NCCC)[C@H](O)c1scc(Br)c1Br 2179675881 AWVLTVOEUDEOBF-JSGCOSHPSA-N 425.230 5.421 30 10 IKEE Cc1cccc(C(=O)Nc2ccc(Br)cc2C#N)c1NC(=O)OC(C)(C)C 2181108827 XJPFWRNTUHTGJF-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE C=CCCCCC[C@H](O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229101587 PVBZGDGURJGAIL-OALUTQOASA-N 426.395 5.382 30 10 IKEE Cc1ccc(SC2=CC(=NS(=O)(=O)c3ccc(C)cc3)c3ccccc3C2=O)cc1 2293092017 KDPFSKFPHBXNGJ-UHFFFAOYSA-N 433.554 5.354 30 10 IKEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H](CCC(C)(C)C)NC(=O)OC(C)(C)C 2296297984 FKKSNLFGMKLUGO-RTBURBONSA-N 437.422 5.108 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 2296762201 JGSXFYJLSDWPHZ-XMMPIXPASA-N 440.455 5.086 30 10 IKEE O=C1C(=CC2=Cc3ccccc3OC2)Oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc21 2296868535 RKKCASPPSLYVJF-UHFFFAOYSA-N 427.412 5.109 30 10 IKEE CCOc1ccc(N=C2NC(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)S2)cc1 2297556110 ASXBIXZWZVABNI-UHFFFAOYSA-N 449.488 5.454 30 10 IKEE CC(C)c1ccc(C=C2Oc3c(ccc4c3[C@@H](c3ccc(O)cc3)CC(=O)O4)C2=O)cc1 2297591919 OMHSTCAJNFYUBR-OAQYLSRUSA-N 426.468 5.573 30 10 IKEE CC[C@@]1(C)N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2315231262 LBQXJYCWLBNOAN-RPWUZVMVSA-N 447.551 5.639 30 10 IKEE Cc1c(C=Nn2cnnc2SCc2c(Cl)cccc2Cl)c2ccccc2n1C 2318571329 HWAKZHQDIYFTCJ-UHFFFAOYSA-N 430.364 5.560 30 10 IKEE Cc1cc(OCC=Cc2ccccc2)cc2c1C(=O)C(=Cc1ccccc1Br)O2 2321813889 YCHLVHNNDUVBSJ-UHFFFAOYSA-N 447.328 6.466 30 10 IKEE CCOc1cc(C=Nn2c(S)nnc2-c2ccccc2)ccc1OCc1ccccc1C 2321944839 IZTUICXWEWSGHS-UHFFFAOYSA-N 444.560 5.402 30 10 IKEE O=C1C(=Cc2cccc(Cl)c2)Oc2c1ccc1c2CN(Cc2ccc(Cl)cc2)CO1 2321957278 FNDNUAMGOMMSQJ-UHFFFAOYSA-N 438.310 5.962 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1c(Cl)cccc1Cl)O3)CN(C[C@@H]1CCCO1)CO2 2321961832 ZHWHGUQQPHTNLB-AWEZNQCLSA-N 446.330 5.249 30 10 IKEE COc1ccc([C@H](C)N2COc3c(cc4c(c3C)OC(=Cc3ccc(C)cc3)C4=O)C2)cc1 2322437235 RTBXNVILTIPGCA-IBGZPJMESA-N 441.527 5.841 30 10 IKEE O=C(C=Cc1c(OCc2cccc3ccccc23)ccc2ccccc12)c1ccc(Cl)cc1 2322528460 INVFVTRTGCIKHZ-UHFFFAOYSA-N 448.949 8.122 30 10 IKEE Cc1c(OC(=O)c2ccccc2)ccc2c1OC(=Cc1ccc(Cl)cc1Cl)C2=O 2322662907 RXVXJRULDMAQRC-UHFFFAOYSA-N 425.267 6.137 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(Cl)cc2C=CC(=O)c2ccc(C(C)C)cc2)cc1 2322737746 DXILEZUFLAILSX-UHFFFAOYSA-N 447.962 6.685 30 10 IKEE CCCN(CCC)C(=O)COc1c(C=CC(=O)c2ccc(F)cc2)cc(Cl)cc1OC 2322748218 APRVLRPMKKACJH-UHFFFAOYSA-N 447.934 5.411 30 10 IKEE CCCOC(=O)COc1c(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)cc1OC 2322842662 KYMPZNRMKLCDGB-UHFFFAOYSA-N 444.955 5.810 30 10 IKEE Cc1cccc(NC(=O)COc2cccc(C=CC(=O)c3cccc4ccccc34)c2)c1C 2323203377 BBBVOLQWXUMCSD-UHFFFAOYSA-N 435.523 6.370 30 10 IKEE CCOC(=O)c1ccc(COc2cccc(C=CC(=O)c3ccc(OC)c(C)c3C)c2)o1 2323248003 PQGRAYUVNLZTQZ-UHFFFAOYSA-N 434.488 5.557 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OCC(=O)Nc2ccc(F)cc2)c1 2323332284 RTDQUZSFFGUQTB-UHFFFAOYSA-N 439.870 5.401 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1 2323395570 KPPQLIAFGCYOML-UHFFFAOYSA-N 435.523 6.370 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCCc3ccccc3)c(Br)c2)cc1 2323465019 WGSFNIQADVVDDS-UHFFFAOYSA-N 435.361 6.529 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Br)cc2)ccc1OCc1ccc(C)cc1 2323602037 WAWOEMCZCRMWIY-UHFFFAOYSA-N 437.333 6.241 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(OC)c2)cc1 2323648510 LWOGZGIENHADNC-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(Cl)c(OCC(=O)OCC(C)C)c(OC)c1 2323986057 NPJFOARUPBXUKV-UHFFFAOYSA-N 446.927 5.140 30 10 IKEE Cc1cc(O)c(CN(C)Cc2ccccc2)c2c1C(=O)C(=Cc1c(F)cccc1Cl)O2 2324077651 XGBREWPRXVORLP-UHFFFAOYSA-N 437.898 5.741 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(O[C@H](C)C(=O)Nc3ccc(F)cc3)ccc2C1=O 2324305788 FQGXFSNPTBLCCL-MRXNPFEDSA-N 447.462 5.247 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc2c(c1C)OC(=Cc1ccccc1)C2=O 2324514693 BWJYUUKZDJVGDT-KRWDZBQOSA-N 447.918 5.979 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OCc3ccc(C(=O)OC(C)C)o3)cc(C)c2C1=O 2325389372 MOQZGMPVHNHZAR-UHFFFAOYSA-N 438.501 5.718 30 10 IKEE CCOc1cccc(C=Nn2c(Cc3ccccc3)nnc2SCc2cccc(C)c2)c1 2325471481 GYDIBTIZUJWBQB-UHFFFAOYSA-N 442.588 5.751 30 10 IKEE CCCCCOc1ccc(C=Nn2c(CCCC)nnc2SCc2ccccc2)cc1 2325517772 PTBPDQORHGUCHF-UHFFFAOYSA-N 436.625 6.364 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccc(F)c(F)c4)c3C)C2=O)cc1 2325525861 BWWCDMUHWCCSEM-UHFFFAOYSA-N 435.426 5.215 30 10 IKEE COc1cccc(C(=O)C=Cc2cccc(OC(=O)c3cc(Cl)ccc3Cl)c2)c1 2325707664 MOVGEJCLIRLEMV-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE COc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(C)cc2)C3=O)cc1Cl 2325710989 VFEMGMKNAFDKGP-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE CCCCc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2cccs2)C3=O)cc1 2325719860 OCJUNMXRLBCGLM-UHFFFAOYSA-N 447.556 6.033 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2cccc(C=CC(=O)c3ccc(Cl)cc3)c2)c1 2325730745 OGSKMBAAHPULEY-UHFFFAOYSA-N 434.919 6.309 30 10 IKEE CN(C)c1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 2325746487 KUKZYYBIXIIVJU-UHFFFAOYSA-N 427.544 6.165 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2cccc(OC(=O)c3cc4ccccc4n3C)c2)c1C 2325756980 GURQCMYDSFYQNC-UHFFFAOYSA-N 437.539 6.527 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)COc3ccc(C)c(C)c3)c2)c(C)c1 2325764691 NJPIVHZTHYIENB-UHFFFAOYSA-N 428.528 6.109 30 10 IKEE C=CCSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1ccc(C(C)C)cc1 2326398998 XLPNYMKLXHDTKY-UHFFFAOYSA-N 448.636 6.190 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1cccc(OC)c1 2327186006 KUIWMSYHRFOIAA-UHFFFAOYSA-N 436.581 5.157 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3Cl)n2N=Cc2ccc[nH]2)cc1 2327919819 AIZUFHPCZPEAHB-UHFFFAOYSA-N 435.984 5.528 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccc(C)c(C)c3)n2N=Cc2cccn2C)c1 2328782182 NXIVRQLDIIUIOF-UHFFFAOYSA-N 445.592 5.295 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2N=Cc2ccc(O)cc2)cc1 2329385977 BHAITPSVRFSRIK-UHFFFAOYSA-N 442.588 5.674 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2ccccc2F)cc1C 2329395605 RXNWPSVGDIYULD-UHFFFAOYSA-N 444.579 6.108 30 10 IKEE CCCSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(OC(C)C)c(OC)c1 2329596589 SVKZLEPHVJOUDL-UHFFFAOYSA-N 444.988 5.779 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(CC2CCCCC2)n1N=Cc1ccncc1 2330310150 FVTWBIJVUKPOGI-UHFFFAOYSA-N 443.979 5.763 30 10 IKEE S=C(NN=Cc1cn(CCOc2ccc(Cl)cc2)c2ccccc12)NC1CCCC1 2330448785 YPORAFJEVCZVDI-UHFFFAOYSA-N 441.000 5.114 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@@H]2CCCO2)c(Cl)c1)c1ccc(-c2ccccc2)cc1 2330599824 ZXQHOHWRNJLMLI-VWLOTQADSA-N 432.903 5.988 30 10 IKEE COc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccccc2F)c(OC)c1 2330848086 CZCOTVZFEGSHMR-UHFFFAOYSA-N 442.560 5.198 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2[N+](=O)[O-])c1 2331030828 ZDDNRXATMXYQHH-UHFFFAOYSA-N 446.415 5.235 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc(F)cc1F 2331084401 QHGWUAQKCCVSTN-UHFFFAOYSA-N 433.237 6.387 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(Cl)cc2)c(Br)c1)c1ccccc1 2331167916 QOCRPTNGYDYPSC-UHFFFAOYSA-N 441.708 6.218 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)c1ccccc1 2331340642 MFRKOGHPFKNJQB-UHFFFAOYSA-N 438.882 6.302 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)C(F)(F)F)c(Br)c1 2331360190 NFXANNQZFKGTLV-UHFFFAOYSA-N 443.215 5.130 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)cc(Cl)c1OC(=O)C(F)(F)F 2331362649 JWTRNBGWDRIOME-UHFFFAOYSA-N 442.817 5.420 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CC(C)(C)C)c(Cl)c2)c(OCC)c1 2331734169 QLJHYPIVOBUPBG-UHFFFAOYSA-N 444.955 6.375 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(N(C)C)cc2)cc1 2331786993 PSPYUPHEKAOMFL-UHFFFAOYSA-N 441.571 6.474 30 10 IKEE CCCC(=O)Oc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1Br 2331860630 OSMQRWGUJFSMFC-UHFFFAOYSA-N 442.136 6.358 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c4ccccc34)cc2)cc1 2331865981 AYNDVBDKHNGKEO-UHFFFAOYSA-N 436.507 6.526 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c(OC)c2OC)cc1OCC 2331894695 BHLJPGFOVIDHSN-UHFFFAOYSA-N 442.508 5.103 30 10 IKEE CC1(C)C[C@@H]1C#CC(=O)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2339568387 OFNXTPZBVBFNRQ-RBJSKKJNSA-N 440.539 5.497 30 10 IKEE Clc1cc(-c2ccc(/N=C/c3ccccc3)c(Cl)c2)ccc1/N=C/c1ccccc1 2169617 PXPMURPRMMGGBR-YAGSLNJISA-N 429.350 8.162 30 10 IKEE CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)c(Cl)c1 9861342 VMKGWHZLRLLONO-XMMPIXPASA-N 443.374 6.691 30 10 IKEE O=C(/C=C\c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O 33775555 QTPQJWDEWHKIOE-LKWVZKKSSA-N 447.284 5.684 30 10 IKEE O=C1C[C@H](c2ccccc2Cl)CC2=C1[C@H]1c3ccccc3C(=O)N1c1ccccc1N2 58866565 VICLPBTVNZPSRU-SGANQWHYSA-N 426.903 5.868 30 10 IKEE C=C(C)COc1cccc(NCC(=O)Nc2ccc(OCCOc3ccccc3)cc2)c1 66063036 RGKLTKCYPZEKNV-UHFFFAOYSA-N 432.520 5.150 30 10 IKEE C(#Cc1ccccc1)CSc1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1 72262433 GESNWHVTNOQIOW-UHFFFAOYSA-N 442.587 7.350 30 10 IKEE C=C(CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]1CC[C@H]1[C@H]2CC[C@@H]2C(C)(C)C(=O)CC[C@]12C 87493064 DFILFAVPSDARMK-NEDWKSGSSA-N 444.700 6.319 30 10 IKEE C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@@](C)(F)C(C)(C)O)C[C@@H](O)C[C@H]1O 96347660 NYQPKLHIAIIMRX-JOAOIOGNSA-N 446.647 5.819 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1 100153234 ORNFCISIFJHZTE-UHFFFAOYSA-N 446.613 5.365 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2 100359940 ASJJSQLKZJXIRK-OHUGHZGNSA-N 430.419 8.169 30 10 IKEE CCCCCCCCCCCCCC(=O)Nc1cccc(C(=O)Nc2cccc(C)c2)c1 100442601 NSAAPDRMXVJEFS-UHFFFAOYSA-N 436.640 7.887 30 10 IKEE CCCCCCCCc1c(C)nn(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c1C 100458801 BGJAHISNIPIWNE-UHFFFAOYSA-N 445.607 6.652 30 10 IKEE CCCCCCCSc1nnc2c(n1)O[C@@H](c1ccccc1OC)Nc1ccccc1-2 101007381 HAUGGIOPWFPKPH-QFIPXVFZSA-N 436.581 6.113 30 10 IKEE CCCCCCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccccc1OCC 101285168 AIUDAQDZMIUZIS-VWLOTQADSA-N 447.579 6.238 30 10 IKEE CCCCCCCn1c(CCCNC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21 102152929 HRMMUCVZKGRNGH-UHFFFAOYSA-N 437.584 5.387 30 10 IKEE Cc1ccc(-c2cc3c(nn2)-c2ccccc2/C3=N\OCc2ccc(Cl)cc2Cl)cc1 102669038 LYNJBAONZIQJKE-QCWLDUFUSA-N 446.337 6.708 30 10 IKEE COc1cc(/C=N\Nc2nc3ccccc3s2)cc([N+](=O)[O-])c1OCc1cccc(C)c1 169890375 MXGSHKDWJWFFEC-CFRMEGHHSA-N 448.504 5.547 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/Nc2nc(=O)[nH]nc2C(C)(C)C)cc1OC 169899399 BQESBNLJDGTSPD-KOEQRZSOSA-N 443.592 5.046 30 10 IKEE CCCCCCCOc1ccccc1/C=N\n1c(S)nnc1-c1ccccc1OCC 169912290 TZXBNSMTUOWJSC-BWAHOGKJSA-N 438.597 5.864 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2cc(C)ccc2C)=C(O)C(=O)N1c1cccc(F)c1 169940044 VCNKOZSQQANARM-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE CCCCCOc1c(OC)cc(/C=C2\CN(Cc3ccccc3)CCC2=O)cc1[N+](=O)[O-] 169941645 DBYBLEVGKHSHAE-KGENOOAVSA-N 438.524 5.031 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@H]2c2cccc(C)c2)c1 169966181 VNNMGACVHQFVSV-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccncc2)cc1 170016767 JFQQAVOBCFLADY-RUZDIDTESA-N 426.516 5.307 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@@H]2c2ccncc2)ccc1F 170018344 NBBNZLSSZCGLEW-HXUWFJFHSA-N 440.833 5.105 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(F)cc1)c1cccc(Cl)c1 170065291 SBVGEMDYMIYQPV-OAQYLSRUSA-N 439.845 5.397 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2ccc(C)cc2C)=C(N2CCC[C@H](C)C2)C1=O 170094579 DYUBKRKNEKVQAP-QFIPXVFZSA-N 438.656 6.256 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2ccccc2)c1 170118083 PSLTZLGYGVRLOI-DEOSSOPVSA-N 443.499 5.265 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccc(C)c2)c(C)c1 170141945 CNRNPOWEIYJLGX-XMMPIXPASA-N 427.500 5.403 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@H]1c1ccc(C(C)(C)C)cc1 170149961 LNIYQSKIAVUWRM-JOCHJYFZSA-N 439.527 5.510 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccs2)cc1 170155825 FZZKOXDNQKOFPI-OAQYLSRUSA-N 437.492 5.459 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2cccnc2)cc1Cl 170187742 DCAVFXRHQHZBSN-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1cccnc1)c1cccc(Cl)c1 170188500 BEGIZHPIPSPVBM-LJQANCHMSA-N 425.271 5.171 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccnc2)ccc1Cl 170191058 TVLSTEABVFFOQO-QFIPXVFZSA-N 448.906 5.225 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@@H]1c1ccc(OCCC)cc1 170215512 KAHVVJBELNBBMY-QFIPXVFZSA-N 441.499 5.002 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC)cc1 170216203 UYXCRDRRRSSULN-MZNJEOGPSA-N 449.547 5.177 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccccc2)c1 170222990 QFKUFCFKVGWKQT-HSZRJFAPSA-N 449.453 5.535 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2F)cc1Cl 170249099 QTLLLDXSKXIQKA-NRFANRHFSA-N 437.854 5.271 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2F)c1 170253460 NAPUMILCCSVRTJ-HSZRJFAPSA-N 437.511 5.381 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2cccc(O)c2)cc1 170259622 PFOSLGJJPMITAY-RUZDIDTESA-N 435.479 5.637 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2ccccc2)cc1 170265580 HBPGPTAFXZIHTR-CRICUBBOSA-N 439.511 5.355 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@@H]1c1ccc(CC)cc1 170267879 ZWBLJYYBOZBEQX-DEOSSOPVSA-N 435.564 5.678 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2C)c1 170278469 OPVTWRLDRZZLJJ-NRFANRHFSA-N 425.912 5.178 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@H]1c1ccco1)c1ccc2c(c1)CCO2 170287402 KWHLSAQRHIJSBO-DEOSSOPVSA-N 437.451 5.151 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2sccc2C)cc1C 170315040 CKQPOHLAPBLBLJ-NRFANRHFSA-N 433.529 5.465 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(F)c(F)c2)c1 170364597 LLKWRJVRFVCDNA-HSZRJFAPSA-N 449.453 5.455 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(Cl)c(Cl)c2)c1 170380085 ZGCZVUOLOICQDL-IBGZPJMESA-N 444.339 6.146 30 10 IKEE CCOC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccccc2C)c1 170398850 AYTLMRCNLQESSM-OAQYLSRUSA-N 447.512 5.016 30 10 IKEE O=C(C1=C(O)C(=O)N(c2nc3cc(F)c(F)cc3s2)[C@@H]1c1cccs1)c1ccco1 170477042 FZEPAKFIHWSUJU-MRXNPFEDSA-N 444.440 5.012 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2nc3ccc(C(C)(C)C)cc3s2)[C@@H]1c1ccccn1 170479598 MHQPCTKKULQAHG-OAQYLSRUSA-N 449.576 5.504 30 10 IKEE COCCN1C(=O)/C(=C\c2c(OC)ccc3ccc(OC)cc23)SC1=Nc1ccccc1 252619433 LPEWYPMWXQNSGF-MPVWDOOLSA-N 448.544 5.107 30 10 IKEE CCC(N=Nc1ccccc1C(=O)O)=NNc1nc2ccccc2n1Cc1ccccc1 254752762 OPDKSQJQEHFIOH-UHFFFAOYSA-N 426.480 5.702 30 10 IKEE COc1cccc(-n2c(-c3ccccc3)cc(C(C)=NOCc3ccccc3OC)c2C)c1 254869076 JBYAAEMNKXFSEL-UHFFFAOYSA-N 440.543 6.411 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(OC)cc2)cc1 526487460 YTMAYLVEJGGEKX-RUZDIDTESA-N 440.499 5.413 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccncc2)cc1Cl 526521720 NUKVAXHFYANJMR-QFIPXVFZSA-N 431.879 5.063 30 10 IKEE CCOc1ccc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2ccccc2C#N)cc1Cl 526606707 NQEGITHLYIDKAM-NRFANRHFSA-N 436.920 5.729 30 10 IKEE CCCOc1ccc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2ccccc2C#N)cc1OC 526606970 QYQJGLACMNDRHN-HSZRJFAPSA-N 446.528 5.474 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccc(O)cc2)c1 526808972 SVHGLQZDQPUJEB-ONUIUJJFSA-N 428.561 5.252 30 10 IKEE FC(F)(F)c1ccc(/C=N\n2cnnc2SCc2c(Cl)cccc2Cl)cc1 526814326 LPMWHAWHTSAKER-GYRAYZOKSA-N 431.270 5.778 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1ccc(C(C)C)cc1 526815303 QQJDGBIETQHIHD-MXAYSNPKSA-N 447.435 6.835 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@@H](NC(=O)CCc3ccc(C)cc3)C2)c1 586019888 REPUNGLZFSRWEA-RUZDIDTESA-N 447.623 5.186 30 10 IKEE COc1cc(C)c(C)cc1S(=O)(=O)N(Cc1cccc(C#N)c1)c1cc(C)ccc1C 586218482 GOYYMOBMSDFDIX-UHFFFAOYSA-N 434.561 5.196 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]2[C@H]1C(C)(C)[C@@H]2Nc1ccc(C#N)cc1Br 693666290 JTXUYUUFWPIIDH-OLMNPRSZSA-N 434.378 5.157 30 10 IKEE CCC[C@@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Br)c2)CC1 698496827 KKLTUZTXCGWOKT-VGOFRKELSA-N 435.406 6.833 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)cc1 698897692 ZPEJCAAIEKAVOC-XVIHEJCXSA-N 441.572 5.274 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@H](C#N)c1csc(Br)c1 710784054 GGNDIIADTSVYOK-CQSZACIVSA-N 427.751 6.170 30 10 IKEE C=CC[C@H](C)SCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 715731793 ASECYJFRNOOAGJ-KSFYIVLOSA-N 425.550 5.066 30 10 IKEE C=CCC1([C@H](NCC)c2cccc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 722924335 XIVSMKRKUFCESO-QGZVFWFLSA-N 427.358 5.052 30 10 IKEE CCCCCCCN1C(=O)C[C@@H](C(=O)Nc2ccc(F)cc2)SC1=Nc1ccccc1 725419691 LCVNENOKFIBKDE-NRFANRHFSA-N 441.572 5.756 30 10 IKEE O=C(O)c1ccc(COc2ccccc2C=NN(Cc2ccccc2)c2ccccc2)cc1 1084131431 XTEWSOCMDXHQAK-UHFFFAOYSA-N 436.511 6.005 30 10 IKEE Cc1cccc(N=C2C(=O)N(CN(C3CCCCC3)C3CCCCC3)c3ccccc32)c1C 1084387203 BKWBVSQOHJQCCB-UHFFFAOYSA-N 443.635 6.696 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(Br)cc2)S/C1=N/c1ccc(C)cc1O 1614236863 WYDHOFRWWJPAHJ-LMDBJESCSA-N 429.339 5.253 30 10 IKEE COc1cccc(/C=C2/SC(=Nc3nc(C)cs3)N(C3CCCCC3)C2=O)c1OC 1772740045 VXAGDQCCAJBGDK-RFWMEDTCSA-N 443.594 5.405 30 10 IKEE Cc1sc(NC(=O)c2c3c(nc4c(Br)cccc24)CCCC3)c(C#N)c1C 1859647246 CCDPXBBJFPSUPQ-UHFFFAOYSA-N 440.366 5.678 30 10 IKEE Cc1oc(NC(=O)c2cc(C(C)(C)C)nc3ccc(Br)cc23)c(C#N)c1C 1859649620 YARDYGQHGJPBBD-UHFFFAOYSA-N 426.314 5.629 30 10 IKEE CC[C@@H](C)N(C(=O)c1ccc(F)cc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1859899627 QUQPXEURQMFYLO-SNVBAGLBSA-N 425.319 6.448 30 10 IKEE CCC(CC)N(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(C)c(F)c1 1859988263 AHMDXFQLKFCJBV-UHFFFAOYSA-N 435.383 7.007 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(F)cc2F)n(Cc2c(F)cccc2Cl)n1 1862341342 YKHJDQYATGKILG-UHFFFAOYSA-N 445.872 5.483 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CCCO)cc1 1862380524 FJCQPEHFDORZGU-FQEVSTJZSA-N 448.346 5.078 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(Cl)cc1 1862385696 VRQKIDPNHMDPFW-VOJFVSQTSA-N 438.738 6.024 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2ccccc2[N+](=O)[O-])cc1 1862393611 ZDUFRXZWRQANRC-ZHRRBRCNSA-N 436.508 5.314 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2ccc(F)cc2)cc1C 1862402320 WOPFBHGPHMZOQD-DEOSSOPVSA-N 445.490 5.230 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@@H]2c2ccccc2C)cc1 1862412201 YSXGXRDCJKCESO-QHCPKHFHSA-N 449.453 5.060 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(Cl)cc1 1862416547 HGQNWERDCWKCDO-FQEVSTJZSA-N 449.881 5.012 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2[C@@H](C)c2ccccc2)c1 1862429656 RNCNQECDOGWFDC-SBUREZEXSA-N 431.919 5.988 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@@H]2c2ccc(O)cc2)cc1 1862430841 TWYLWAXMPRXSFM-QHCPKHFHSA-N 447.918 5.175 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1862431500 ISCAUOYCBOJIRU-FPTDNZKUSA-N 449.890 5.091 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccc(O)c(O)c2)cc1 1862476797 ONFXHXKJUBIMKK-QHCPKHFHSA-N 435.520 5.097 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2Cl)ccc1F 1862502755 IHFZBEDOFNCYHL-OAQYLSRUSA-N 427.903 5.699 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(F)cc1 1862544357 BJBMROCXZGEFBH-LAMXGVLKSA-N 447.550 5.862 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862567755 ZTFZSCFXNXUOPS-UZUQRXQVSA-N 436.552 5.215 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccccc1 1862616628 VBRUKUNQRGKUDE-DEOSSOPVSA-N 449.591 5.769 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(OCCC)cc1 1862623675 VKGKFEZQEGLQHP-QHCPKHFHSA-N 433.548 5.537 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CC)cc1 1862624344 WOFJXAOHZBSUPW-HSZRJFAPSA-N 435.564 5.761 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2Cc2ccccn2)cc1 1862648564 FIVXFSPIKZLGDG-RUZDIDTESA-N 434.495 5.322 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccc(F)cc1F)c1ccc(F)cc1 1862675943 XCNVDWOEDRMJDQ-OAQYLSRUSA-N 429.438 5.405 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 1862691206 YSIDMRKUPIKJCG-HXUWFJFHSA-N 446.330 5.523 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(C(C)C)cc1 1862715553 WWOHGABPPUEAMI-SANMLTNESA-N 441.571 6.588 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC2CCCC2)=C(c2cccc3ccccc23)C1=O 1863580915 JRMKHAOGNADLRM-UHFFFAOYSA-N 446.635 6.593 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@H](C)CC)=C(c2cccc3ccccc23)C1=O 1863582877 DHAIXRJPKGCAGT-OAQYLSRUSA-N 434.624 6.449 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccccc2F)=C(c2ccc(OC)cc2)C1=O 1863671581 UQMQXICDJMCYST-UHFFFAOYSA-N 438.543 5.065 30 10 IKEE COc1ccc([C@H]2c3ccccc3CCN2c2cc(Nc3cccc(C#N)c3)nc(C)n2)cc1 1868466840 FXGFTHJLDDZFML-NDEPHWFRSA-N 447.542 5.561 30 10 IKEE C=CCOc1cn(Cc2cccc(C)c2)c(CNc2ccc(N(CC)CC)cc2)cc1=O 1870809675 PPYPEXCXNAPCAR-UHFFFAOYSA-N 431.580 5.228 30 10 IKEE C=CCn1cc(OCCCCCCC)c(=O)cc1CNc1cc(C(C)C)cc(C(C)C)c1 1870836548 ZRTBEYRJPAWAIB-UHFFFAOYSA-N 438.656 7.242 30 10 IKEE CCCCCCCOc1cn(CCCCCC)c(CNc2cccc(Cl)c2C)cc1=O 1870839241 CMGPOQJCWYAUSD-UHFFFAOYSA-N 447.063 7.352 30 10 IKEE C=CCn1cc(OCCCOc2ccc(C)cc2)c(=O)cc1CNc1ccc(OC)cc1C 1871215967 BEWIFGYABQYWSN-UHFFFAOYSA-N 448.563 5.120 30 10 IKEE Cc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCC(C)C)cc1Cl 1871254858 HWWMVEQICIFWTE-UHFFFAOYSA-N 449.982 5.919 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1cccc(Cl)c1)O3)CN(CCOc1ccccc1)CO2 1871346445 GJTQECWYUGFCRS-UCQKPKSFSA-N 447.918 5.496 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc3c2CN(C[C@@H](O)c2ccc(Cl)cc2)CO3)C1=O 1871352963 JKJWEORNOKUFFK-CBOXRNDFSA-N 447.918 5.150 30 10 IKEE Cc1cc(OC(=O)c2cccc(OCC(C)C)c2)cc2c1C(=O)/C(=C/c1cccs1)O2 1871381208 NLVSSPJXFRCXCE-XKZIYDEJSA-N 434.513 5.927 30 10 IKEE CCCN(CCC)Cc1c(O)cc(C)c2c1O/C(=C\c1cccc(Br)c1)C2=O 1871394427 XJKLNORAYXETHG-MOSHPQCFSA-N 444.369 5.701 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(O[C@H](C)C(=O)Nc4cccc(C)c4C)c3C)C2=O)o1 1871414392 UQFGIKCFFCUIDT-VLZFXTDASA-N 431.488 5.535 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(Cl)cc4)cc(C)c3C2=O)cc1 1871441057 VQRFZIIFSSWXPC-UUYOSTAYSA-N 449.890 5.291 30 10 IKEE CCc1cccc(CC)c1N1C[C@@H](C(=O)[C@@H](C#N)c2nc(-c3cccs3)cs2)CC1=O 1872774400 PUTJOCBIRGHOHD-ZWKOTPCHSA-N 449.601 5.226 30 10 IKEE CC(C)c1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(Cl)cc3Cl)n2)cc1 1872775790 ADCUVEYGDVBCOL-QGZVFWFLSA-N 445.371 6.496 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccc(C(C)C)cc3)n2)c(C)c1C 1872778775 UASCMONWBLRPPY-AVRDEDQJSA-N 448.588 6.203 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@@H](C#N)C(=O)CCc2ccc(Cl)cc2)n1 1872786310 HJEDTIDNCBNQSR-KRWDZBQOSA-N 445.371 6.243 30 10 IKEE C=CCc1ccccc1OCc1cccc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c1 1872833871 FFYBUBWITLLWOM-FWMRXGEISA-N 429.604 6.329 30 10 IKEE CCCCCCCCCCNC(=O)c1cc2c(N3C[C@H](C)C[C@@H](C)C3)ncnc2n1CC 1873570813 JTHBAISITRFWKF-NHCUHLMSSA-N 441.664 5.804 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc2c(NCC(C)C)ncnc21 1873602804 NYHWSMYMHXHWRE-UHFFFAOYSA-N 440.551 5.681 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc2c(N3CCCC3)ncnc21 1873650160 FIMOYKOPXMIKDX-UHFFFAOYSA-N 438.535 5.213 30 10 IKEE C=CCn1c(C(=O)Nc2cc(Cl)cc(Cl)c2)cc2c(N3CCC[C@H](C)C3)ncnc21 1873657836 QQYRAJAHRNBNMO-AWEZNQCLSA-N 444.366 5.413 30 10 IKEE CSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(C(C)C)cc1 1874203951 YTSSNCMOZIWJHE-FOKLQQMPSA-N 435.380 5.891 30 10 IKEE CCCSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1ccccc1OC 1874224130 UDHPFKUWUIVQMU-XIEYBQDHSA-N 438.597 5.245 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(OCC)cc2)n1/N=C/c1c[nH]c2ccccc12 1874235404 HIDAXTOITIILHV-VULFUBBASA-N 447.564 5.288 30 10 IKEE C=C(C)CSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1cc(C)ccc1O 1874287971 HGPJEXYWBIMXOB-MFKUBSTISA-N 426.630 6.307 30 10 IKEE Cc1ccc(/C=N/n2c(COc3c(C)cccc3C)nnc2SCc2ccccc2)cc1 1874299649 LSSWMAWDVKZASY-JVWAILMASA-N 442.588 5.957 30 10 IKEE Cc1cccc(OCc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccccn2)c1C 1874323694 COGBTUWTZAJMCI-MZJWZYIUSA-N 447.539 5.183 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(COCc3ccccc3)nnc2SCc2ccccc2)c1 1874355531 OOSMUPCAGGGDKS-CVKSISIWSA-N 444.560 5.183 30 10 IKEE Cc1ccc(C)c(CSc2nnc(COCc3ccccc3)n2/N=C/c2cccs2)c1 1874355596 RRCYLAJXOXXJMH-AFUMVMLFSA-N 448.617 5.848 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2/N=C/c2cccn2C)cc1C 1874357521 MBOQHSDFOPYQCF-CVKSISIWSA-N 433.556 5.138 30 10 IKEE C=C(C)CSc1nnc(Cc2ccccc2F)n1/N=C/c1ccc(Br)cc1 1874375570 COSLXBWFMWXEFM-FSJBWODESA-N 445.361 5.321 30 10 IKEE Cc1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2C)cc1 1874379193 GGXYELJSMHXPMZ-JVWAILMASA-N 430.552 5.799 30 10 IKEE CCc1ccc(/C=N/n2c(Cc3ccc(C)cc3)nnc2SCc2ccccc2)cc1 1874389573 TWDUUYVHXCNGLP-OVVQPSECSA-N 426.589 5.914 30 10 IKEE Oc1cccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccc(Cl)cc2)c1 1874419085 XVPLAOJUUDBQHG-MFKUBSTISA-N 434.952 5.402 30 10 IKEE COc1cccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2-c2ccccc2)c1O 1874428598 QRKPQSJMQIJFDZ-CVKSISIWSA-N 444.560 5.451 30 10 IKEE Fc1cccc(CSc2nnc(C(F)(F)F)n2/N=C/c2ccc(Cl)c(Cl)c2)c1 1874461084 VLSSDXYEAYAWEZ-KTZMUZOWSA-N 449.260 5.917 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccccc1OCCC 1874476073 BUYIUSOMPOHSPX-PCLIKHOPSA-N 426.561 5.723 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1/N=C/c1ccc(C)cc1 1874476887 XYXCROCFVFYHLE-MFKUBSTISA-N 435.597 5.159 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1cccc(O)c1 1874480111 IOCZWPDKNLWWNT-FSJBWODESA-N 435.380 5.808 30 10 IKEE CCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(Cl)cc1Cl 1874528152 VKCIBVMLQFTQLB-LSHDLFTRSA-N 425.772 5.975 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1OC 1874572110 WMTPVFAESKDTJZ-DHZHZOJOSA-N 443.326 6.486 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCC)cc1OCCC 1874576315 HPHHYTVHSJDLDE-CSKARUKUSA-N 432.944 6.221 30 10 IKEE Cc1ccc(COc2ccc(Br)cc2/C=C/C(=O)c2cccc(Cl)c2)cc1 1874577477 PERJNTWBDLVKNZ-PKNBQFBNSA-N 441.752 6.886 30 10 IKEE Cc1cccc(COc2ccc3ccccc3c2/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1 1874578785 GUZLVTUIENOVTL-ACCUITESSA-N 447.361 7.930 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2cccc(OCc3nc(O)c4ccccc4n3)c2)cc1 1874597020 PSBLKAJMSZUXGD-LFIBNONCSA-N 438.527 6.108 30 10 IKEE CCCOc1c(Br)cc(/C=C/C(=O)c2ccc3ccccc3c2)cc1OCC 1874603254 MFRYCIGQRRBTJV-FMIVXFBMSA-N 439.349 6.686 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)cc1OC 1874603511 ZXWCLPCMEVZDLG-GXDHUFHOSA-N 445.515 5.234 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(F)cc1 1874610951 UKFSBVNWWDKGCJ-NYYWCZLTSA-N 441.842 5.871 30 10 IKEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(F)c(C)c3)cc2Cl)o1 1874618896 YFMKGRTWBCCMAX-FPYGCLRLSA-N 428.843 5.642 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1OC(=O)Cc1cccs1 1874695200 PBNHOAJHYSZZAU-XBXARRHUSA-N 447.339 6.108 30 10 IKEE CCCCCCC(=O)Oc1cc(/C=C/C(=O)c2ccc(Br)cc2)ccc1OC 1874696869 GRHFNVINGVGQPV-RIYZIHGNSA-N 445.353 6.230 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)[C@H]2C[C@H]2c2ccccc2Cl)c1)c1ccc(F)cc1F 1874699983 WADLHPYURPGDCY-GEDDFEBSSA-N 438.857 6.223 30 10 IKEE CCOc1ccc(OCC(=O)Oc2cc(/C=C/C(=O)c3ccc(C)cc3)ccc2OC)cc1 1874703011 UUNFBFWZCDTTPS-VIZOYTHASA-N 446.499 5.283 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cccc(OC(=O)C(c3ccccc3)c3ccccc3)c2)c1 1874703574 WGDJAIBPTDUIBK-VHEBQXMUSA-N 446.546 6.937 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(C(F)(F)F)cc2)c1)c1ccc2c(c1)OCO2 1874707474 HEAQUNKKZCWHJW-ONNFQVAWSA-N 440.373 5.549 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2cccc(OC(=O)c3cc4ccccc4n3C)c2)c1C 1874710650 GURQCMYDSFYQNC-BUHFOSPRSA-N 437.539 6.527 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@@H]2CCCO2)c([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 1875078290 IQMPZPWEHZRKAC-RARRKCLYSA-N 443.455 5.242 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1Cl 1875098864 ROOVQDVDLLREAV-FMIVXFBMSA-N 430.928 6.129 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)ccc1OC(=O)c1ccccc1Cl 1875100662 IBWXMBGJTVRNAQ-ACCUITESSA-N 436.891 5.863 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)ccc1OC(=O)Cc1ccc(OC)cc1 1875103325 TXSHMBQVUQWHIS-MHWRWJLKSA-N 444.527 5.701 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2Cl)cc(OC)c1OC(=O)c1cncc(C)c1 1875110219 AFFIZTZPBUDVLA-ZHACJKMWSA-N 447.918 5.896 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC(=O)CC(C)(C)C 1875117200 DHBXEMXBFCMPSF-IZZDOVSWSA-N 445.899 5.885 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(C)c3)cc2)cc1 1875141012 JAELSUNJTHVPFH-CXUHLZMHSA-N 432.491 5.967 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(Cl)cc3)cc2)c1 1875144011 BHKIFRONFNMZHU-NTUHNPAUSA-N 436.891 5.401 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)[C@H](C)c1ccccc1 1875156638 DYLYEXRDULXTGU-NXZBIGBUSA-N 428.528 6.424 30 10 IKEE Cc1cc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(F)c3)cc2)ccc1Cl 1875161687 BZRAXOJTDSYOAR-NYYWCZLTSA-N 442.845 5.807 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)c1ccccn1 1875162994 ZNFBXRWUFFEOSO-RMKNXTFCSA-N 443.833 5.527 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2cc(OCC)ccc2OCC)cc1OC 1875171775 MQDABZXNSTTZSU-PKNBQFBNSA-N 446.927 5.748 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc(OC)c1OC(=O)CCOC 1875190887 REVBBINGJRSQLE-RMKNXTFCSA-N 449.330 5.569 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N(C)CCCC)n2Cc1ccccc1 1875216990 TZQFYHYDZWOBMH-UHFFFAOYSA-N 449.643 6.124 30 10 IKEE Cc1c(S(=O)(=O)N2CCC(C#N)(c3ccccc3)CC2)sc2ccc(Cl)cc12 1891457549 JFKLNWDNHUAKIG-UHFFFAOYSA-N 430.982 5.109 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(CCC)CCCN1C(=O)OC(C)(C)C 1922077167 LHIMWLLDTSZRMV-JYFHCDHNSA-N 430.633 5.697 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[C@H]1C 1922121822 ZUNOTXYPWCIKJZ-MHHVOYGZSA-N 430.633 5.409 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@]1(C#N)CC(C)(C)[C@@H]1OCc1ccccc1 1939565944 XBDNTQDSWFQENG-GBXCKJPGSA-N 426.582 5.763 30 10 IKEE CCC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 1945808607 OETDTJMTMAYSJO-UYAOXDASSA-N 437.625 5.779 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CC(C)(C)CCN1C(=O)OC(C)(C)C 1948801876 XGEQFESPVMRMTO-PKTZIBPZSA-N 430.633 5.553 30 10 IKEE C=C1CC(C[C@H](NCC)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)C1 2011042202 RTFCZLHRPSTHQF-JYFHCDHNSA-N 428.617 5.165 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C2(CC2)C1 2013251246 WHWNIXKCXXQGMP-XMMPIXPASA-N 427.545 5.111 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)C1(C#N)[C@H](C)CN(C(=O)OC(C)(C)C)C[C@H]1C 2042149082 OGRSSPAZUWCQDW-RTBURBONSA-N 443.588 5.522 30 10 IKEE C#CCCCC[C@H](NCCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2053263349 DSQPAGHSMKRKEV-RPLLCQBOSA-N 442.644 5.392 30 10 IKEE N#C[C@]1([C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCCSC1 2073862648 HSFJWVZLPLRIOR-RRPNLBNLSA-N 445.584 5.915 30 10 IKEE C#CC[C@H](C)C[C@H](N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2076074054 SJBPZYRYYRFTNC-HPKXWHFBSA-N 429.560 5.255 30 10 IKEE Cc1ccc([C@@H](C2CCC2)n2nc(C3CCC3)c(C#N)c2I)cc1 2079002811 OQIFANVUHJNYOC-LJQANCHMSA-N 431.321 5.325 30 10 IKEE Cc1ccc([C@H](C2CCC2)n2nc(C(F)F)c(C#N)c2I)c(F)c1 2079137911 RKXAJQBCQAGEKK-HNNXBMFYSA-N 445.226 5.134 30 10 IKEE N#Cc1c(C2CCC2)nn([C@H](c2ccc(C(F)(F)F)cc2)C2CCC2)c1Br 2079873546 QIWIRZPOKKZXCW-SFHVURJKSA-N 438.291 6.193 30 10 IKEE CCc1nn([C@H](c2ccc(C3CCC3)cc2)C2(C)CC2)c(I)c1C#N 2079903932 OVIJABXTXJAZHT-LJQANCHMSA-N 445.348 5.579 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1nc(C2CC2)cs1 2093264343 SHAGAOCUAIPQDC-MRXNPFEDSA-N 434.359 5.789 30 10 IKEE CC[C@@H](C)[C@@H]1CSC(=Nc2ccc(Cl)c(I)c2Cl)N1 2136530577 HVFFGYPCHKRAMN-XCBNKYQSSA-N 429.154 5.337 30 10 IKEE COC[C@@]1([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)CC=CCC1 2166536055 ZPCGMYBZXSNAHR-WIYYLYMNSA-N 435.362 5.456 30 10 IKEE CC(C)CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cc(Br)ccc1C#N 2174807570 DDUOTKVOWNYNBX-SFHVURJKSA-N 436.394 5.183 30 10 IKEE Cc1c(Cl)cc(CN2CC[C@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)cc1Br 2194166167 CHGCTSWUIDEYKF-YWZLYKJASA-N 440.618 5.469 30 10 IKEE Cc1sc([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)c(Br)c1C 2221774449 QDUOSUYNHVLLJY-OAHLLOKOSA-N 427.408 6.262 30 10 IKEE C=CCN(C[C@H](NCCC)c1cc(C)c(Br)c(C)c1)C(=O)OC(C)(C)C 2227362141 KUOKEDCEOCOSHR-SFHVURJKSA-N 425.411 5.530 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)[C@@H]1CN(Cc2ccccc2)C(C)(C)C1 2235724344 LYVIJVXXJRDWHF-GMAHTHKFSA-N 425.414 5.079 30 10 IKEE C=C1CCC(C[C@@H](O)[C@@H](Cc2ccccc2Br)NC(=O)OC(C)(C)C)CC1 2237396915 SIZWAFWEYKGKFU-WOJBJXKFSA-N 438.406 5.382 30 10 IKEE CC[C@@H]1CC=C(C(=O)[C@@H](Cc2cccc(Br)c2)NC(=O)OC(C)(C)C)CC1 2237408649 IXYLOVVHIJAXBG-DNVCBOLYSA-N 436.390 5.591 30 10 IKEE CCCC#CC[C@H](NCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237428201 JWNNQPZXLZUMCN-PMACEKPBSA-N 437.422 5.057 30 10 IKEE CCc1ccc(C#C[C@H](O)c2cc(Br)cc(NC(=O)OC(C)(C)C)c2)cc1 2239657978 LNBRHAKSYRMNBI-FQEVSTJZSA-N 430.342 5.444 30 10 IKEE Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1 2255540901 TZAXTTZZXVSASU-UHFFFAOYSA-N 430.354 5.297 30 10 IKEE CC(C)[C@@H](C)N(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2255769349 LABDRUFLJKLQQZ-GOSISDBHSA-N 441.808 5.326 30 10 IKEE C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1cc(Cl)cc(B2OC(C)(C)C(C)(C)O2)c1 2255824736 NMVCBZJKWFEEFM-QGZVFWFLSA-N 439.792 5.080 30 10 IKEE C=C1C[C@@H]1C[C@@H](OCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2275878702 QRDBMROWVOPIRU-AOYPEHQESA-N 444.527 5.953 30 10 IKEE CN[C@@H](CC=CC#CC(C)(C)C)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2284127693 BBROYFIDEMKKIS-SFHVURJKSA-N 435.406 6.052 30 10 IKEE C=CCc1ccccc1OCCOc1ccccc1C=C1SC(=S)N(CC=C)C1=O 2293462058 HZDFMFHDPFRAHV-UHFFFAOYSA-N 437.586 5.260 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)C1(NC(=O)OC(C)(C)C)CCCC1 2296311241 UQUNXSWUMSFEOC-LJQANCHMSA-N 435.406 5.006 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2O)cc1COc1ccc(Cl)cc1Cl 2296907897 SRBZODNUWJWOPZ-UHFFFAOYSA-N 429.299 6.183 30 10 IKEE C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC(=Cc1ccc(OC(F)F)cc1)C2=O 2297329627 UILXPFRZQGQVFT-ONQKQBGVSA-N 442.546 6.174 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cn(C[C@H](O)CN3CCCCCC3)c3ccccc23)cc1 2297359417 REJABDIKGFAATL-XMMPIXPASA-N 446.591 5.173 30 10 IKEE CC(=O)Oc1ccc(Br)c(C=C2N=C(SCc3ccccc3)SC2=O)c1 2297366853 WJOHGQVRNTZRNN-UHFFFAOYSA-N 448.363 5.278 30 10 IKEE CCN1C(=O)C(=Cc2ccc(OCc3ccc(C)cc3)cc2)SC1=Nc1nccs1 2314542375 KAHRAFWEXDFVPA-UHFFFAOYSA-N 435.574 5.654 30 10 IKEE CCCCCCCCn1c(CCCCCNC(=O)C=Cc2ccccc2)nc2ccccc21 2314884512 SQIPOSSPNQPRSO-UHFFFAOYSA-N 445.651 6.939 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)C2(NC(=O)OC(C)(C)C)CCCCC2)c1 2318920229 HZKKZUXKFCJBQJ-HXUWFJFHSA-N 443.588 5.856 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C2CC2)c1O 2320892319 HBMZGVOXFOKYMF-UHFFFAOYSA-N 449.363 5.351 30 10 IKEE Cc1nnc(SCc2ccccc2F)n1N=Cc1cccc(OCc2ccccc2)c1 2321152228 HKEQRQFAACLZNH-UHFFFAOYSA-N 432.524 5.479 30 10 IKEE Cc1ccc(CCN2COc3cc(C)c4c(c3C2)OC(=Cc2ccccc2C)C4=O)cc1 2322223668 QHKYJXWXATZPNC-UHFFFAOYSA-N 425.528 5.623 30 10 IKEE Cc1ccc(CN2COc3c(cc4c(c3C)OC(=Cc3ccc([N+](=O)[O-])cc3)C4=O)C2)cc1 2322307601 PHRVXVYKYMNSRX-UHFFFAOYSA-N 442.471 5.180 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCc2ccc(Cl)cc2)cc1 2322356678 AIPDKOGRXYTOQU-UHFFFAOYSA-N 441.354 7.040 30 10 IKEE Cc1ccccc1NC(=O)COc1ccccc1C=CC(=O)c1ccc(Cl)cc1Cl 2322379324 XBOMAPDGIPHWNQ-UHFFFAOYSA-N 440.326 6.215 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3ccccc3c2C=CC(=O)c2ccc(C)cc2)cc1 2322591513 JLDCSYAGANOPHG-UHFFFAOYSA-N 435.523 6.370 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccccc2OCc2c(F)cccc2Cl)c1 2322657649 CFVNNIYKIYRCLF-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cccc(OC)c1OCc1cccc(F)c1 2322926471 LMKMDMGIBUPLNR-UHFFFAOYSA-N 440.898 6.280 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc(C)c3C2=O)cc1 2323279448 KILNLZHKHSPHMA-UHFFFAOYSA-N 445.427 5.056 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)C=Cc3cccc([N+](=O)[O-])c3)cc(C)c2C1=O 2323437932 UIGNPTCAXWYPPR-UHFFFAOYSA-N 441.439 5.447 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Cl)c1OCCc1ccccc1 2323858477 CCVCTZGHEGRYSR-UHFFFAOYSA-N 434.963 6.873 30 10 IKEE CCCOc1c(OC)cc(C=NNc2nc(-c3ccc(C)cc3)cs2)cc1[N+](=O)[O-] 2323870716 RJJWVCHXOMHBJD-UHFFFAOYSA-N 426.498 5.270 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(C)c2)C3=O)c1 2323896080 KRSGEVSLNIUYGD-UHFFFAOYSA-N 442.467 5.454 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCc3cccc(F)c3)c([N+](=O)[O-])c2)cc1 2323933574 LOTXSPOFMGIEBX-UHFFFAOYSA-N 435.451 5.998 30 10 IKEE CCCCN(CCCC)Cc1c(O)cc(C)c2c1OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2324077806 ATGJXVUDMSZZAI-UHFFFAOYSA-N 438.524 5.627 30 10 IKEE COc1ccc(C=C2Oc3cc(OCCCOc4ccccc4)ccc3C2=O)c(OC)c1 2324234391 UECSNHBBYVSZHY-UHFFFAOYSA-N 432.472 5.168 30 10 IKEE CCCCOc1cc(C)c2c(c1)OC(=Cc1cc(Br)cc3c1OCOC3)C2=O 2324260514 OJWUASTWAYTSBT-UHFFFAOYSA-N 445.309 5.419 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2324475212 GCXAIZTWEHSDDR-MRXNPFEDSA-N 447.918 5.925 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCCCOc4ccc(C)cc4)cc(C)c3C2=O)cc1 2324545796 JOBAFBGLWOGQLO-UHFFFAOYSA-N 444.527 6.166 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCCCOc4ccc(Cl)cc4)c3C)C2=O)cc1 2324561344 PSYREDBYROUGBT-UHFFFAOYSA-N 434.919 6.421 30 10 IKEE Cc1cc(OCc2ccc(C(=O)OC(C)C)cc2)cc2c1C(=O)C(=Cc1ccccc1F)O2 2324605973 FDPSPDDWHZIRBL-UHFFFAOYSA-N 446.474 5.895 30 10 IKEE Cc1cccc(COc2ccc(C=CC(=O)c3cc(Cl)ccc3Cl)cc2[N+](=O)[O-])c1 2324662206 BCKSXDIGAZXLNY-UHFFFAOYSA-N 442.298 6.685 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3cccc(Cl)c3)cc2)c2ccccc12 2324673166 GJEQWKMSNQHUPG-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(OC(c3ccccc3)c3ccccc3)c2C)C1=O 2325216550 AXLWWXPXHCLEJS-UHFFFAOYSA-N 438.548 7.150 30 10 IKEE CCCOc1ccc(C=Nn2c(CC)nnc2SCc2ccc(Cl)c(Cl)c2)cc1 2325610471 RVPCOSJYILPFSG-UHFFFAOYSA-N 449.407 6.111 30 10 IKEE O=C(COc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O)Nc1cccc2ccccc12 2325706967 DGRILZMDEPPMRF-UHFFFAOYSA-N 447.490 6.030 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)[C@@H](C)c3ccccc3)c2)cc1C(C)C 2325754129 IMGNKLVBEHPBQS-NRFANRHFSA-N 442.555 6.732 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccccc2F)c1)c1ccc(Oc2ccccc2)cc1 2325754856 KHCKREOUSZGYPN-UHFFFAOYSA-N 438.454 6.733 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(Cl)cc3Cl)c2)cc1C 2325760564 GPGKSOGLQCPKEM-UHFFFAOYSA-N 425.311 6.726 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1cccc(OC(C)C)c1 2326681512 IOPAXFHBYLVBIH-UHFFFAOYSA-N 433.581 5.454 30 10 IKEE Clc1ccccc1CCc1nnc(SCc2ccccc2)n1N=Cc1ccncc1 2327956815 QNQYOKWGOICKQJ-UHFFFAOYSA-N 433.968 5.286 30 10 IKEE Cc1ccc(N=CC2=C3NC4=C(C=Nc5ccc(C)cc5)CCC[C@]4(C#N)C=C3CCC2)cc1 2328662912 KBBVYRQYYZVFGL-SSEXGKCCSA-N 446.598 7.324 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2)n1N=Cc1cc(Cl)ccc1O 2328754325 SDLNBDYNQHQQIF-UHFFFAOYSA-N 430.961 5.033 30 10 IKEE Clc1ccccc1-c1nnc(SCc2ccccc2)n1N=Cc1c[nH]c2ccccc12 2329568833 ZZHSHXRWINHWDM-UHFFFAOYSA-N 443.963 6.254 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc3c(OC(=O)C=Cc4cccc(F)c4)cccc23)c1 2329745715 JFBAZLHTNGMCEX-UHFFFAOYSA-N 436.442 5.722 30 10 IKEE Cc1ccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2[C@@H](C)c2ccccc2)cc1 2330110253 CIOZHEKKFLFOBN-QFIPXVFZSA-N 440.616 6.530 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCSC)c([N+](=O)[O-])c2)cc1 2330835012 DVNXHKUESVYPGG-UHFFFAOYSA-N 441.549 5.882 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1cccc(C)c1 2331292823 LTRMGWJFAMGZFD-UHFFFAOYSA-N 426.512 6.156 30 10 IKEE COCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1cccc2ccccc12 2331306099 JSUWLTUTJCDKOC-UHFFFAOYSA-N 436.968 5.448 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)[C@H](C)c1ccccc1 2331312760 WBGWGABTXSHBMJ-LJQANCHMSA-N 448.946 6.571 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)COc3ccc(Cl)c(C)c3)cc2)c1 2331315990 MBUZIOSKKFVYOE-UHFFFAOYSA-N 434.919 6.146 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccccc1F 2331471001 CTQTYRULFINZDO-UHFFFAOYSA-N 437.371 6.097 30 10 IKEE CCSc1nnc(C2CCC2)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2331509895 RLVPOMROUKWOHV-UHFFFAOYSA-N 426.973 5.772 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1ccc(F)cc1 2331520960 UBPKIDIWMNZDOG-UHFFFAOYSA-N 425.799 5.503 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2Cl)cc1[N+](=O)[O-] 2331523116 BLDALGWBIRTXPS-UHFFFAOYSA-N 439.826 5.811 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(C=CC(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 2331530167 GANRCSQFXVNCLQ-UHFFFAOYSA-N 449.434 5.177 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)c1cccc(C)c1 2331632309 WLUDLFXETZZAMG-UHFFFAOYSA-N 430.500 5.744 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1ccncc1 2331653667 RYDCMCOAMYCKTA-UHFFFAOYSA-N 429.516 5.829 30 10 IKEE N#Cc1ccc(CSc2cc(I)ccc2Br)c(F)c1 2338414288 SESKZQHXHTYIQH-UHFFFAOYSA-N 448.098 5.357 30 10 IKEE CC1(C)OB(/C=C/c2ccc(NC[C@H]3CCCCN3Cc3ccccc3)nc2)OC1(C)C 2339578928 OCYFXNHSYIPOFV-POICXBNUSA-N 433.405 5.193 30 10 IKEE CCN[C@@H](C#C[C@@H]1CC1(F)F)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2341023632 YTEMSLKYKNBGTH-RPBOFIJWSA-N 447.525 6.154 30 10 IKEE CC#CCN(C[C@H](NCCC)c1ccc(Br)c(F)c1F)C(=O)OC(C)(C)C 2363122515 LAAAOUUAIYVUIM-INIZCTEOSA-N 445.348 5.028 30 10 IKEE CC[C@H](NC[C@]1(C)CCCN1Cc1ccccc1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363828963 ICONIWQRBDCBRE-LSYYVWMOSA-N 448.460 5.081 30 10 IKEE COc1c(O)cccc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2367227732 TUFROADEFZRLTE-INIZCTEOSA-N 433.302 5.170 30 10 IKEE Cc1c(C#N)c(NC(=O)CSc2ccc(C(F)(F)F)cn2)n(-c2ccccc2)c1C 10320855 ZFSGAKFDBJUTOX-UHFFFAOYSA-N 430.455 5.110 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OCCC)cc2)C3)cc1 21237819 OXMLNWFVXAIPDW-OFNKIYASSA-N 433.548 5.269 30 10 IKEE O=C(Oc1ccc(F)cc1C(=O)/C=C\c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 33442353 OOVWIWHLUZYJGQ-XFFZJAGNSA-N 425.799 5.503 30 10 IKEE O=C(/C=C\c1ccc(Cl)cc1)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 34720109 AAXBJIIEUWCKJE-KMKOMSMNSA-N 438.232 7.096 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C(=O)/C=C/c3c(F)cccc3Cl)cc2)cc1OC 34954973 FFAUJZBNCMWUJJ-VAWYXSNFSA-N 440.854 5.612 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cccc2ccccc12 40096158 BLKJKLOTPAZZLX-GKVSMKOHSA-N 441.527 5.542 30 10 IKEE Cc1occc1C(=O)Nc1cccc(C(=O)/C=C/c2c[nH]nc2-c2cccc([N+](=O)[O-])c2)c1 40464923 PVGVXEPCJPFWNE-CMDGGOBGSA-N 442.431 5.035 30 10 IKEE Cc1ccccc1/C=C\C(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2n(C(C)C)c1=O 96265917 UTNIVIKWTXGUOG-SSZFMOIBSA-N 441.958 7.107 30 10 IKEE N#Cc1c(-c2ccc(Br)cc2)c(/C=C\c2ccccc2)nn1-c1ccccc1 97475226 VINKLNLSNHREPZ-WJDWOHSUSA-N 426.317 6.344 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)c1coc(-c2ccc(N)cc2)n1 102453230 HLAJDMOUGYVMPP-UHFFFAOYSA-N 427.633 7.135 30 10 IKEE COc1cc(Br)c(OCc2ccc(C#N)cc2Cl)cc1Br 162994856 CFJACUYACPOEJB-UHFFFAOYSA-N 431.511 5.324 30 10 IKEE CCCN1C(=S)N[C@@H](c2ccc(OCc3ccccc3)c(OCC)c2)C(C(C)=O)=C1C 169930304 IZALQGLLFIWROW-DEOSSOPVSA-N 438.593 5.169 30 10 IKEE CCCOc1ccc(/C=N\Nc2nc(-c3ccc(OC)cc3OC)cs2)cc1Cl 169942374 UEUBIYLWJMSQMI-FMCGGJTJSA-N 431.945 5.716 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2cccc(C)c2)cc1C 169972571 GXUKCTSLTJPWNT-DEOSSOPVSA-N 445.490 5.230 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCC)cc1 169976081 APTKDUHWEVKBPQ-HSZRJFAPSA-N 439.527 5.691 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(OC(C)C)cc2)s1 169977736 LESKPUIYMYIARD-OAQYLSRUSA-N 448.544 5.330 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@H]2c2ccncc2)c1 170022149 QJRVHYDKAGUBFK-QFIPXVFZSA-N 432.907 5.443 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccco2)c1 170089773 XMPGPXVUZHIHHE-NRFANRHFSA-N 437.879 5.505 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@H]1c1ccc(OC)cc1 170116713 PECRJIGNCAVPEM-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(N(C)C)cc1 170129677 GXZZKIPVYFGWCA-VWLOTQADSA-N 442.559 5.674 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)c(Cl)c2)[C@H]1c1ccccc1 170232381 KNYNASFGIBPQJW-GOSISDBHSA-N 434.319 5.380 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccccc1 170234126 IDSALSINJNYNPH-FQEVSTJZSA-N 425.912 5.178 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2C2CCCC2)cc1 170246095 GJJYECMUGJWXPU-XMMPIXPASA-N 447.531 5.102 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2c2ccccc2)cc1 170265574 VRBRRBZWSYRCDN-VWLOTQADSA-N 439.511 5.357 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccco2)c(C)c1 170289352 JPIODRKGWQMOQE-XMMPIXPASA-N 427.500 5.558 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(C)o1 170299533 VASZHKDXTAKUMZ-FQEVSTJZSA-N 441.842 5.172 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccc(C)o2)c1 170304734 IQCJCOBTLYOKGQ-DEOSSOPVSA-N 445.515 5.777 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@@H]1c1sccc1C 170319305 BPBXFTRGJLXPMA-GOSISDBHSA-N 433.957 5.487 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@@H]1c1ccc(Cl)cc1)c1ccncc1 170375247 INJIOTJMAYPJPR-LJQANCHMSA-N 443.261 5.310 30 10 IKEE Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]3c3ccc(N(C)C)cc3)sc2c1 170447100 LXTDWVYIKWYURI-FQEVSTJZSA-N 449.576 5.186 30 10 IKEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3ccc(C(C)(C)C)cc3)nc2c1 170472288 KSNGXMZTWWENJH-QHCPKHFHSA-N 445.563 5.684 30 10 IKEE C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)nnc1-c1ccc(Cl)cc1 251558392 MCUVABNDLBQYEC-CGENQQAYSA-N 445.032 5.206 30 10 IKEE Cc1cccc(C)c1N=C1S/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1 252590208 ARBUPTTYLSOIQS-QGJBXVFPSA-N 429.501 6.020 30 10 IKEE CN1/C(=C2\SC(=Nc3ccccc3)N(CCc3ccccc3)C2=O)Sc2ccccc21 254463415 PTORMSCEGKEQOG-CJKMRZRNSA-N 443.597 5.903 30 10 IKEE C=CCN=c1scc(-c2cccc(Br)c2)n1N=Cc1ccc(SC)cc1 254624991 RBKGVSVXOFIHPS-UHFFFAOYSA-N 444.423 5.670 30 10 IKEE CSCCCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=Nc1cc(C)ccc1C 254771058 LEPXUNDDOVPBMB-GXTKKWAKSA-N 441.578 5.569 30 10 IKEE N#Cc1cc(N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)nc2ccc(Cl)cc12 301267519 IMBKMIFDRGIEGC-UHFFFAOYSA-N 429.829 5.276 30 10 IKEE N#Cc1cc(Sc2nnc(COc3ccc(Cl)cc3)o2)nc2ccc(Cl)cc12 301932980 PWBXXPFHXPYNPI-UHFFFAOYSA-N 429.288 5.526 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Br)c1)NCCC 406782918 CCMPFPMWLWNYCL-RBUKOAKNSA-N 425.411 5.219 30 10 IKEE Nc1cc(-c2c(F)c(F)c(F)c(F)c2F)nc(-c2c(F)c(F)c(F)c(F)c2F)c1 514260480 PHHJGVDPDIOESR-UHFFFAOYSA-N 426.213 5.389 30 10 IKEE CC(C)COc1cccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 526489283 QFRABIKYNKYTNN-RUZDIDTESA-N 442.490 5.789 30 10 IKEE Cc1cc(C)cc(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccc(O)cc2)c1 526809823 VSZPTCASWRDOEJ-QQXSKIMKSA-N 428.561 5.366 30 10 IKEE CCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1ccc(Br)cc1 526819351 UNSWRGQLWGGBPF-UUYOSTAYSA-N 429.387 5.394 30 10 IKEE N#Cc1ccc(C(=O)N2CCC3(CC2)CN(c2cccc(F)c2)[C@H]3c2ccccc2)cc1 575317284 IMTWGQHVJFBHJF-VWLOTQADSA-N 425.507 5.181 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)Nc3cccc(C)c3)C2)c1 585878693 GCQDNFAUGPQWAK-QHCPKHFHSA-N 434.584 5.259 30 10 IKEE C=C(C)CN(C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(OC(C)C)cc1 586151294 SJJFDEPGRXXQHQ-UHFFFAOYSA-N 435.589 5.830 30 10 IKEE C=CCCN(c1ccc(OCC(C)C)cc1)S(=O)(=O)c1ccc(CCCCCC)cc1 586233159 KCVZJPOULDXWDX-UHFFFAOYSA-N 443.653 6.616 30 10 IKEE COc1ccc(C)cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)c1cccc2ccccc12 586245623 OETBTQMEJIZJPY-UHFFFAOYSA-N 442.540 5.424 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 698900308 DYIFCAJVKFWUDB-QMHKHESXSA-N 449.979 5.621 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 699659809 MPJLBYZDXXGKTG-DFBJGRDBSA-N 443.588 5.666 30 10 IKEE CCCCCCC[C@H](N)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 708572045 BRXPIUIZFNGLLE-RBUKOAKNSA-N 427.427 5.573 30 10 IKEE Cc1ccc([C@@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)c(C)c1Br 719632330 HSJKFCAAZYYLDI-LJQANCHMSA-N 429.358 6.068 30 10 IKEE O=C1/C(=C/c2cccc(Cl)c2Cl)SC(=Nc2ccccc2)N1C1CCCCC1 1083911819 KTSKKESYSNAFSS-ZQFCNSAKSA-N 431.388 6.930 30 10 IKEE CCCCCCCCNC(=O)c1c2c(nc3ccc(Br)cc13)CCN(CC)C2 1859575206 NDOODIWNQAOWBQ-UHFFFAOYSA-N 446.433 5.466 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1)[C@H](C)CC 1861107282 UJFMQIXNNWEZCN-ZLEXTBCKSA-N 435.052 6.141 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(-c2ccccc2)cc1 1861481390 YUUGRCURQMRJJX-SANMLTNESA-N 434.624 6.215 30 10 IKEE CCCCCCCCNC(=O)[C@](C)(CC)NC(=O)c1ccc(OCCCCCC)cc1 1861526603 SCVCCTUDMTYJKX-SANMLTNESA-N 432.649 6.021 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1cccc([N+](=O)[O-])c1 1862383834 NQIWZRHHMWTBTK-ADLMAVQZSA-N 449.290 5.278 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccccc1F 1862411798 PIRAABDUZCOLDR-PEBXRYMYSA-N 437.417 5.443 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(F)cc1F)c1ccccc1Cl 1862432738 LVFWZKCVXZFVJK-FQEVSTJZSA-N 431.866 5.529 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cccc(OC)c1 1862488558 CDIQGDFSKIXKPD-PXDATVDWSA-N 449.591 6.249 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccccc2F)c1 1862490477 WJOKOODAYIBJHX-XMMPIXPASA-N 429.491 5.529 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1cccc(O)c1)c1ccc2c(c1)CCCC2 1862544488 FDSSNQCXMHOSSJ-RUZDIDTESA-N 439.511 5.050 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc2cc[nH]c2c1 1862626546 DMBHOPMDCTWTMG-HSZRJFAPSA-N 446.503 5.055 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1CCCCN(C)C 1862648596 GCVPTQWGIKPPAP-RUZDIDTESA-N 442.559 5.068 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@@H]2c2ccccc2)cc1 1862659691 CHOUPFJQAFSKGY-XMMPIXPASA-N 445.946 6.242 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccccc2C)cc1 1862686846 DLKGTZDZUOWTIJ-DEOSSOPVSA-N 431.532 5.472 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccc(F)cc2F)cc1 1862690725 CLFNZCKFXUEYCF-WNSKOXEYSA-N 449.453 5.313 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccccc2Cl)c1 1862700491 HTIPUQGXBAXAAT-QFIPXVFZSA-N 439.939 5.650 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccccc1)c1ccc2ccccc2c1 1862713215 JONOUDYTEHFWGL-VWLOTQADSA-N 425.528 6.141 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1c(Cl)cccc1Cl 1862744275 LNIUPGCNWCJZQK-SFHVURJKSA-N 449.290 5.136 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3Cl)C(=O)N(c3ccccc3C#N)C2=O)cc1C 1862885233 NXDZADGTKITTKG-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C(C)=O)c2)=C(c2ccccc2F)C1=O 1863297200 QZLQKJSJJOXBSQ-UHFFFAOYSA-N 436.527 5.581 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2cccs2)=C(c2c[nH]c3ccccc23)C1=O 1863817990 SKMUOHIVALIXRC-UHFFFAOYSA-N 435.593 5.460 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)C[C@H](C)C(=O)c2cccc(F)c2)c1 1866036739 NJZNUFARJVEQRV-KRWDZBQOSA-N 428.463 5.084 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)c2cc(C)nc3ccc(Cl)cc23)c1 1866271069 LRJFKBPXZKILDP-UHFFFAOYSA-N 439.902 5.860 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC(c3nc(C)c(C)s3)CC2)nc(C(C)(C)C)n1 1869179631 GPXQITLYBMUECD-UHFFFAOYSA-N 425.646 5.410 30 10 IKEE CCCCCCCOc1cn(CCC2=CCCCC2)c(CSc2ccccc2)cc1=O 1870260057 WZNMKFBQBLRMKN-UHFFFAOYSA-N 439.665 7.380 30 10 IKEE CCCCCCCCn1cc(OCC(=O)N[C@H](C)CC)c(=O)cc1CSC(C)(C)C 1870291970 ORTHCUIVTDEDQH-LJQANCHMSA-N 438.678 5.534 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)Nc2ccccc2)c(=O)cc1CN(C)C 1870759036 AXUGBHQAXZSLMR-UHFFFAOYSA-N 441.616 5.068 30 10 IKEE C=CCn1cc(OCCCCCCC)c(=O)cc1CNc1ccc(Br)c(C)c1 1870833756 RGPRYAXKFFJCSE-UHFFFAOYSA-N 447.417 6.067 30 10 IKEE N#Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(Cl)c(Cl)c3)n2)cc1 1871318745 FEJPVGGAVCFUHC-UHFFFAOYSA-N 434.286 5.365 30 10 IKEE COc1cccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(C2CCCCCC2)C4)c1OC 1871347692 QHZUWTXGKPACAO-UCQKPKSFSA-N 449.547 5.503 30 10 IKEE CCCCC[C@H](CC)N1COc2c(cc3c(c2C)O/C(=C\c2ccc(Cl)cc2)C3=O)C1 1871353092 DOCRBPSDOYSZCP-DHJMFLCTSA-N 439.983 6.775 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3c(ccc(O)c3CN(Cc3ccccc3)C(C)C)C2=O)cc1 1871394029 ZGRRYMZBLVRYBW-YUMHPJSZSA-N 441.571 6.542 30 10 IKEE COc1ccccc1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccccc1C)C2=O 1871411421 MWQHNPUSYFLAGE-SMNNTEATSA-N 443.499 5.334 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4c(C)cccc4C)ccc3C2=O)cc1 1871432150 WJOQHXPDVRVIIG-QCYAWUEASA-N 427.500 5.634 30 10 IKEE CC(=O)Nc1ccc(C(=O)COc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871432482 HKGUDQFXZUVMMC-MSXFZWOLSA-N 447.874 5.176 30 10 IKEE COc1ccc(C)cc1NC(=O)CCOc1ccc2c(c1)O/C(=C\c1sccc1C)C2=O 1871446268 HVNRRZSJRRHTGH-HMAPJEAMSA-N 449.528 5.397 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1 1871450703 NOEADWLMLPMNLZ-OMTSMLQXSA-N 441.527 6.142 30 10 IKEE CCCCCCCCN=c1nc(N2CCC[C@@H](C)C2)[nH]c(=Nc2ccc(C)c(Cl)c2)[nH]1 1871490704 RRUPLIWWYHBPCX-GOSISDBHSA-N 445.055 5.430 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(OC)cc2)[nH]c(N(C)Cc2ccccc2)n1 1871561630 PGDTXIDEZDKWNE-UHFFFAOYSA-N 448.615 5.455 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(CC)cc2)[nH]c(N(CC)CC)n1 1871585020 KPRZRIOMMUEQBB-UHFFFAOYSA-N 426.653 5.998 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(CC)cc2)[nH]c(N2C[C@@H](C)C[C@@H](C)C2)n1 1871585879 UYONFSKZGYFAHJ-OYRHEFFESA-N 438.664 5.854 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C(C)C)cc1)[C@H](C)CC)S(=O)(=O)c1cccs1 1871851163 LSHYUWDADJXWFV-XMSQKQJNSA-N 448.654 5.492 30 10 IKEE N#C[C@@H](C(=O)CCCOc1ccccc1Cl)c1nc(-c2ccc3ccccc3c2)cs1 1872760403 NODONRHXUSWVLS-FQEVSTJZSA-N 446.959 6.652 30 10 IKEE Cc1ccc(C)c(-c2csc([C@H](C#N)C(=O)COc3cc(Cl)ccc3Cl)n2)c1 1872772227 LTAHLNHQGPBOML-MRXNPFEDSA-N 431.344 5.989 30 10 IKEE N#C[C@@H](C(=O)COc1cc(Cl)ccc1Cl)c1nc(-c2c[nH]c3ccccc23)cs1 1872777031 DTJAQNYMFOTQSB-AWEZNQCLSA-N 442.327 5.853 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@H](C#N)C(=O)c3ccc(N(C)C)cc3)n2)c1 1872781357 TYTHRQQZGOJPIS-HXUWFJFHSA-N 435.549 5.164 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(Cl)c(C)c3)n2)cc1Cl 1872785595 QRRUHSVWNCEILV-OAHLLOKOSA-N 447.343 5.689 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1 1872785596 QWASSDKVSHMPCE-HTDGKCJNSA-N 444.600 6.704 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@@H](C#N)C(=O)/C=C\c2ccc(Cl)cc2)n1 1872787942 BMILMQLYFLDKPC-LYLYKKCESA-N 429.328 6.015 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc3cc[nH]c3c1)n2CC 1873619536 GRNIPAXYDSYHDU-UHFFFAOYSA-N 432.572 5.957 30 10 IKEE CCCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1ccc(C(C)C)cc1 1874247770 VFXJWFNIBIXRKI-NLRVBDNBSA-N 436.625 6.106 30 10 IKEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc(OCCC)cc1 1874283397 FGQDYYNRCLIFKO-KOEQRZSOSA-N 441.000 5.666 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccc(C)c(C)c3)n2/N=C/c2cccn2C)c1 1874319379 NXIVRQLDIIUIOF-CVKSISIWSA-N 445.592 5.295 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3)n2/N=C/c2ccc(Cl)cc2)c1 1874416939 POCIPOATJQNSBI-JVWAILMASA-N 447.007 6.314 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CCC2)c1O 1874495892 KMFARHJILIBPBH-FSJBWODESA-N 428.945 5.088 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCC3)n2/N=C/c2ccc(C(F)(F)F)cc2)c1 1874496034 RYFBQTNBGSUZLE-UVHMKAGCSA-N 444.526 6.356 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(C2CCC2)n1/N=C/c1ccccc1Cl 1874498383 GDHVNRPNTTYXKF-BHGWPJFGSA-N 435.355 6.166 30 10 IKEE CCCOc1c(/C=N/n2c(SCc3cccc(F)c3)nnc2C(C)C)cccc1OC 1874512319 RFOWZGMUEQNSDX-AFUMVMLFSA-N 442.560 5.513 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C(C)C)c1 1874517301 QDBSQUGEDUSZRI-AUEPDCJTSA-N 435.380 5.897 30 10 IKEE Cc1ccccc1CSc1nnc(C)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874528738 YGUATOQIJBNTRE-WGOQTCKBSA-N 428.561 5.648 30 10 IKEE Fc1ccc(Br)cc1/C=N/n1cnnc1SCc1cccc(Cl)c1 1874540795 ZJOMUJLBXHDNBS-ODCIPOBUSA-N 425.714 5.008 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc3ccccc3c2)c1 1874571566 USDHASCBHUOXDY-FOCLMDBBSA-N 435.523 6.370 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C/C(=O)c2cccc(OC)c2)cc1 1874572263 DPSFMXTZUPKHMT-UKTHLTGXSA-N 449.934 5.825 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2ccccc2)cc1 1874578146 YZOYVZSJCYPEBE-SAPNQHFASA-N 431.488 5.008 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2)cc1 1874582861 KKTVWNZFXHCZTN-RVDMUPIBSA-N 447.962 6.551 30 10 IKEE CCc1ccc(NC(=O)COc2ccccc2/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1 1874586902 KMFMSDPYZSKAIG-DTQAZKPQSA-N 441.571 6.396 30 10 IKEE O=C(/C=C/c1cccc(OCc2c(Cl)cccc2Cl)c1)c1ccc2c(c1)CCCC2 1874593012 NJRMOHZOUSRPPR-SDNWHVSQSA-N 437.366 7.347 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OCc2c(Cl)cccc2Cl)c1 1874596755 BOEMDCKWRUUMGR-ZHACJKMWSA-N 427.327 6.786 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc4ccccc4c3)cc2)c1 1874602461 NFWNVNVYGTWAGJ-NTEUORMPSA-N 435.523 6.370 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(C(=O)OCC)o3)cc2)cc1 1874606267 FVSOQYDXACCWSQ-GZTJUZNOSA-N 432.516 6.274 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OCc1ccc(Cl)cc1 1874618875 XCPIDQLEPHSTCT-SDNWHVSQSA-N 446.974 7.169 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cc(OC)c(OCc3cccc(C)c3)c(OC)c2)c1 1874618968 BYMXDCWHOSEUSV-PKNBQFBNSA-N 448.515 5.505 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(Cl)c1OCc1ccccc1 1874623034 IYUDYIGFMHGCDS-FOCLMDBBSA-N 442.942 7.367 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OCC(=O)Nc1c(C)cccc1C 1874625546 KASZPYRHZBZUMA-NTUHNPAUSA-N 433.479 5.365 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1ccc(F)c(F)c1 1874626004 HNZXLAHHKLVJBL-YCRREMRBSA-N 447.250 6.342 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)cc1C 1874637579 HVWSKXGEXDYCQC-ZRDIBKRKSA-N 445.515 5.234 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)ccc1OCc1ccccc1 1874638920 YVXRPXLZLASOFI-DTQAZKPQSA-N 438.523 6.722 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3cccc4ccccc34)c2)cc1C 1874696196 MUBBDJCTHKYJSO-FYWRMAATSA-N 436.507 6.201 30 10 IKEE Cc1cc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(-c4ccccc4)cc3)c2)ccc1F 1874703929 OECJFRBXBGVBOO-LICLKQGHSA-N 436.482 6.916 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(-n3cccc3)cc2)cc1)c1ccc2c(c1)CCCC2 1875096729 BZSRANIVBIGQKF-GIJQJNRQSA-N 447.534 6.471 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)cc2)cc1 1875097184 YKTBMTAWVQTKNS-VXLYETTFSA-N 438.567 6.978 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)cc3)cc2OC)cc1 1875115161 PJJZSDMHXMHQSD-GIDUJCDVSA-N 446.499 5.147 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)Cc1cccs1 1875120195 HHSPWTXWVGWSOB-QPJJXVBHSA-N 448.874 5.733 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(N(C)C)cc1 1875122310 XJVXEHSKYCQWCV-RIYZIHGNSA-N 449.934 5.920 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(Oc4ccccc4)c3)cc2)c(C)c1 1875131215 MPUAKRYWDGRFGE-NBVRZTHBSA-N 448.518 7.211 30 10 IKEE O=C(Cc1ccccc1F)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1Cl 1875149965 QPZXKYRVTOGDRX-VMPITWQZSA-N 438.838 5.252 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H]3CCCO3)cc2)cc1 1875159705 WEWDWFUTTAHWKD-KJHJDATOSA-N 436.548 6.016 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 1875162210 CNIXNHDLGJJLEV-XLUWADSXSA-N 443.789 5.642 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)CC(C)(C)C)c([N+](=O)[O-])c1 1875181159 QTGYPSPITSWTIC-SOFGYWHQSA-N 445.899 5.803 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c(C)c1 1875182493 GEUSCZFYHIKRJD-XYOKQWHBSA-N 429.472 5.944 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)[C@H]2CCCO2)c([N+](=O)[O-])c1 1875184155 KWCZCZFFDAYPNA-OXHGWOFKSA-N 437.492 5.181 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1csc([C@H](C)NC(=O)OC(C)(C)C)n1 1922079896 JNFCOOCQODDSJO-FXAWDEMLSA-N 431.602 5.152 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@H]1CC2(CCCC2)CN1C(=O)OC(C)(C)C 1922115630 IYEPVYLLYZVNOC-PKTZIBPZSA-N 428.617 5.307 30 10 IKEE CN(C[C@@](C#N)(N(Cc1ccccc1)C(=O)OC(C)(C)C)C(C)(C)C)C(=O)OC(C)(C)C 1929982674 ORGKNUMQZZDAGY-RUZDIDTESA-N 445.604 5.599 30 10 IKEE N#Cc1ccc(NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)c(Cl)c1 1959290173 RBALLHSPMMHFMM-UHFFFAOYSA-N 447.922 5.484 30 10 IKEE C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2020301635 YUOHCVKAYOLBBB-UUOWRZLLSA-N 435.609 5.486 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(Cc3ccccc3)C[C@H]2C)c1 2037425926 ICSKCJBZWXBKEG-IBVKSMDESA-N 435.568 5.241 30 10 IKEE C=C([C@H](N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(F)(F)F 2071353682 CBOYJQGQJFEWAC-ZEQRLZLVSA-N 443.465 5.324 30 10 IKEE Cc1ccc([C@H](C(C)C)n2nc(C(F)F)c(/C=N/O)c2I)cc1C 2079024251 AGTBFXXJFUXSKB-SJTXTDJHSA-N 447.267 5.096 30 10 IKEE CCc1nn([C@H](c2ccc(C(F)(F)F)cc2F)C2(C)CC2)c(Br)c1C=NO 2079878817 TVCAGMPPEAQOFR-OAHLLOKOSA-N 448.258 5.564 30 10 IKEE CCCc1ccc([C@@H](C2CC2)n2nc(C3(C)CC3)c(C#N)c2I)cc1 2079879734 IAXYOOQYZORPHF-SFHVURJKSA-N 445.348 5.363 30 10 IKEE COc1ccc([C@H](n2nc(C3CCC3)c(C#N)c2I)C(C)(C)C)cc1 2080052920 FCJWRYCVQQVCFO-SFHVURJKSA-N 449.336 5.271 30 10 IKEE Cc1nn(-c2ccccc2)c2c1-c1nc(/N=C/c3ccc(Br)cc3)sc1CC2 2080385614 SKXYPEZLUBKEIB-ZMOGYAJESA-N 449.377 5.916 30 10 IKEE C=CCC1([C@H](NCC)c2c(C)sc(C)c2Br)CN(C(=O)OC(C)(C)C)C1 2087630061 SUYLPVBHPBTOQV-QGZVFWFLSA-N 443.451 5.591 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](Nc2cc(Br)cc(F)c2C#N)CC1 2133508331 JXBSXZZNMAOUEX-KGLIPLIRSA-N 426.330 5.098 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@H]2Nc2cc(Br)ccc2C#N)C1 2156236668 MYSWDEUEQJJDEY-NQIIRXRSSA-N 434.378 5.302 30 10 IKEE C=CCN(CC(=C)Br)C(=O)C(C)(C)c1ccc(NC(=O)OC(C)(C)C)cc1 2180918260 VZMKUOXKZVSWIN-UHFFFAOYSA-N 437.378 5.234 30 10 IKEE C#C[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)CC 2210719659 GYMYNODNZARHNR-KYTVRQNUSA-N 446.591 5.104 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Br)cc1Cl 2222745773 YSGPMRFGPJMNCJ-SJORKVTESA-N 429.786 5.060 30 10 IKEE CC1(C)OB(c2cc(Cl)ccc2C(=O)N(Cc2ccccc2)c2ccccc2)OC1(C)C 2267007575 YHTBYGRFSBBCDY-UHFFFAOYSA-N 447.771 5.486 30 10 IKEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)Nc1cccc(OCc2ccccc2)c1 2267105454 MKSPQXFKCAJXNT-UHFFFAOYSA-N 449.381 5.187 30 10 IKEE CC(C)(C)C#CC=CC[C@@H](O)c1ccc(I)c(Br)c1 2268829612 IFYSFNNFPJJJFK-OAHLLOKOSA-N 433.127 5.083 30 10 IKEE C#CCOc1ccc(C=C2C(=O)N(c3cc(Cl)cc(Cl)c3)N=C2C)cc1OCC 2294623613 IBBXSOAAYSHZEW-UHFFFAOYSA-N 429.303 5.210 30 10 IKEE Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(Cl)cc2)cc1 2296235678 SIZHNAVGSGBRMV-OAQYLSRUSA-N 448.862 5.183 30 10 IKEE CC1(C)CC(N=C2C=CC3=N[C@]45CCCC[C@H]4CC4=C(CCCC4)N5C3=C2)CC(C)(C)N1 2297450321 VSDVPTFEBFDIBD-MMTVBGGISA-N 432.656 6.065 30 10 IKEE COc1ccc(N=Cc2ccccc2OC(=O)C=Cc2ccc(Br)cc2)cc1 2297710412 GHBNZLSCLDANPD-UHFFFAOYSA-N 436.305 5.827 30 10 IKEE O=C1NC(=Nc2ccc(F)cc2)SC1=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 2313557284 ZHTXANYGQNAAHG-UHFFFAOYSA-N 449.463 5.205 30 10 IKEE CCOc1cc(C=C2SC(=Nc3nc(C)cs3)N(C3CCCCC3)C2=O)ccc1O 2314543627 IZTISWMXRRGXMX-UHFFFAOYSA-N 443.594 5.493 30 10 IKEE COc1cccc(C=C2SC(=Nc3nc(C)cs3)N(C3CCCCC3)C2=O)c1OC 2314544184 VXAGDQCCAJBGDK-UHFFFAOYSA-N 443.594 5.405 30 10 IKEE COc1cc(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CC2)ccc1O 2320873771 UHJXXXANYTZRLR-UHFFFAOYSA-N 430.533 5.197 30 10 IKEE CN(C)c1ccc(C=C2Oc3cc(OCc4ccc(Cl)cc4Cl)ccc3C2=O)cc1 2321780220 YXEQGZRAABOCLX-UHFFFAOYSA-N 440.326 6.255 30 10 IKEE CC(C)c1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc2cc[nH]c2c1 2321842162 LFOWJGMZEFLYKG-UHFFFAOYSA-N 427.936 5.850 30 10 IKEE CCN(CC)CCCN1COc2cc(C)c3c(c2C1)OC(=CC=Cc1ccccc1)C3=O 2322115108 OLZACDLQZKQUCO-UHFFFAOYSA-N 432.564 5.051 30 10 IKEE C[C@@H]1CCCC[C@H]1N1COc2ccc3c(c2C1)OC(=Cc1ccc(Cl)cc1Cl)C3=O 2322145970 HVOXMRJCAFSKAJ-JLTOFOAXSA-N 444.358 6.340 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCc3ccc(C)cc3)ccc3ccccc23)cc1OC 2322348180 YENNTZXDESBVKF-UHFFFAOYSA-N 438.523 6.641 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)N[C@H](C)c2ccccc2)c1 2322617387 PQQGYALSIPQOSM-HXUWFJFHSA-N 447.962 6.109 30 10 IKEE COC(=O)c1ccc(COc2c(C=CC(=O)c3c(C)c(C)cc(C)c3C)cccc2OC)o1 2322844891 MHWPKVDCGQGQCU-UHFFFAOYSA-N 448.515 5.784 30 10 IKEE CCc1ccc(NC(=O)COc2ccccc2C=CC(=O)c2ccc(OC)cc2OC)cc1 2322904173 OPRKEXYGKFUHBY-UHFFFAOYSA-N 445.515 5.180 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccccc1OCC(=O)Nc1ccccc1F 2322952827 INCKTOJCPAIREM-UHFFFAOYSA-N 445.534 6.345 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OCC(=O)Nc1cccc(C)c1C 2323153409 NHEBPOCWNGFODT-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE Cc1cc(OC(=O)c2ccccc2[N+](=O)[O-])cc2c1C(=O)C(=Cc1ccc(Cl)cc1)O2 2323153578 GHLBPKXCRUTIHR-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1cccc(OCC(=O)OCC(C)C)c1 2323258775 JWUGUVKWYYGOHN-UHFFFAOYSA-N 437.319 5.476 30 10 IKEE CCc1ccccc1NC(=O)COc1cccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)c1 2323259712 VGSGVEMJDZEULA-UHFFFAOYSA-N 441.571 6.396 30 10 IKEE C=CCOc1c(Br)cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1OCC 2323379069 CWESSIFJLUQPLG-UHFFFAOYSA-N 432.270 5.217 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)cc1OC 2323438024 GQVVZBIILBSCSQ-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1 2323844177 GDYBODYZZIGBQO-UHFFFAOYSA-N 445.515 5.316 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(O[C@@H](C)C(=O)Nc3ccc(C)cc3)ccc2C1=O 2324370238 BBPBPMDUOJVJIX-SFHVURJKSA-N 443.499 5.416 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2sccc2C)C3=O)cc1 2324492521 DRJHKIXDSJUNMM-QGZVFWFLSA-N 447.556 5.950 30 10 IKEE Cc1cc(OCCCOc2ccc(Cl)cc2)cc2c1C(=O)C(=CC=Cc1ccccc1)O2 2324561202 OFQHXVYIJREBCI-UHFFFAOYSA-N 446.930 6.669 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)c(C)c1 2324890793 JEGOMEUFMWMZTE-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C)cc4Cl)cc(C)c3C2=O)c1 2325299066 HPAIKHDFKWPEMI-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccccc2F)cc1 2325435512 NTCQPSUJAGULEE-UHFFFAOYSA-N 430.552 5.685 30 10 IKEE Cc1c(OCC(=O)Nc2c(F)cccc2F)ccc2c1OC(=Cc1ccccc1F)C2=O 2325511831 YRBPFYHGBLCAHB-UHFFFAOYSA-N 439.389 5.046 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1cccc(OC)c1OC 2325571973 NELXZNZWUNXWAP-UHFFFAOYSA-N 448.951 5.215 30 10 IKEE COc1ccccc1CC(=O)Oc1cccc(C=CC(=O)c2ccc3c(c2)CCCC3)c1 2325701620 CNGKIQHVABHANP-UHFFFAOYSA-N 426.512 5.618 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1OC(=O)Cc1ccc(C)cc1 2325756984 KNYCLIFSQZYGJU-UHFFFAOYSA-N 444.527 5.673 30 10 IKEE Fc1ccc(CSc2nncn2N=Cc2ccc(OCCCc3ccccc3)cc2)cc1 2326235038 IKCPWXVVLDPDJA-UHFFFAOYSA-N 446.551 5.603 30 10 IKEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@H](C2CCC2)C1 2326266077 ZUKHAABETLJKFT-BKMJKUGQSA-N 442.600 5.088 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1cccc(OC)c1 2328056496 OCCQTSWGVYPXFN-UHFFFAOYSA-N 426.973 5.276 30 10 IKEE CCCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1cccc(OC)c1OC 2328081353 WCUQZKGWUOCGAW-UHFFFAOYSA-N 444.988 5.118 30 10 IKEE CC(C)c1ccc(C=CC(=O)[C@@H]2C[C@@H](NC(=O)c3cc(Cl)cc(Cl)c3)CCN2)cc1 2328343789 WVJBCMQAAJWWQD-VXKWHMMOSA-N 445.390 5.250 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2N=Cc2cccs2)cc1 2329383702 QTZACRAPEADMDS-UHFFFAOYSA-N 432.618 6.030 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccc(F)cc3)n2N=Cc2ccc(F)cc2)c1 2329842684 ILBHFHFYJRODIX-UHFFFAOYSA-N 448.542 5.938 30 10 IKEE Fc1ccc(Cc2nnc(SCc3c(F)cccc3Cl)n2N=Cc2ccc[nH]2)cc1 2329867077 JDBJWLGDFUSGKO-UHFFFAOYSA-N 443.910 5.303 30 10 IKEE Cc1ccccc1CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1ccc(F)cc1 2330057412 SFPWNCDCZJOICU-LJQANCHMSA-N 430.552 6.052 30 10 IKEE O=[N+]([O-])c1cccc(C=Nn2c(Cc3cccs3)nnc2SCCc2ccccc2)c1 2330399126 LHTBGUPRUIGQNH-UHFFFAOYSA-N 449.561 5.056 30 10 IKEE CSCCCC(=O)Oc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1[N+](=O)[O-] 2330665752 CKWPQUQLFUCESG-UHFFFAOYSA-N 435.501 5.693 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)CCCC4)cc2Cl)cc1C 2330683735 PWAUMNRXHZRZGI-UHFFFAOYSA-N 444.958 6.951 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3)c(Br)c2)cc1 2330747837 SKBIWYHQGNJRMW-UHFFFAOYSA-N 449.344 6.056 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2Cl)cc(OC)c1OC(=O)Cc1ccccc1 2330946933 AGBYUHOJMVGPLB-UHFFFAOYSA-N 446.930 6.121 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)ccc1OC(=O)c1ccc(Cl)cc1 2330979609 GFGJRCDCIJTTTN-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC(=O)CC(C)(C)C 2331032775 DHBXEMXBFCMPSF-UHFFFAOYSA-N 445.899 5.885 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Br)c(OC(=O)C2CCC2)c(OC)c1 2331076176 MOFZLEUYYYLOGC-UHFFFAOYSA-N 445.309 5.068 30 10 IKEE O=C(COc1cc(F)ccc1F)Oc1ccc(C=CC(=O)c2ccccc2)cc1Cl 2331167781 USRBMAZNXVXAAV-UHFFFAOYSA-N 428.818 5.499 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)c1c(F)cccc1Cl 2331282153 JUUNMFYKKVKXMH-UHFFFAOYSA-N 438.882 6.302 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 2331349068 NWVDHWGAQUAIFK-UHFFFAOYSA-N 435.407 5.166 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(C(C)(C)C)n1N=Cc1sccc1C 2331373281 VDMJVDAMZIYMAR-UHFFFAOYSA-N 441.626 5.121 30 10 IKEE CC(C)(C)c1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1cccc2ccccc12 2331399759 UPCIPXQVNHLMTL-UHFFFAOYSA-N 449.624 5.152 30 10 IKEE COc1cccc(C=Nn2c(CC(C)C)nnc2SCc2cccc(Cl)c2)c1O 2331470684 CXDHJHADTLICLH-UHFFFAOYSA-N 430.961 5.019 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)ccc1OC(=O)CC(C)C 2331757762 MXJOADSFRVTPFO-UHFFFAOYSA-N 430.928 5.903 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)COc3ccc(C)cc3C)cc2)cc1C 2331835549 MVZYPVJJKMFSHA-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(C)cc2)c(Cl)c1 2331876665 ANTSEOIVUKGPSS-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE COc1ccc(C#N)c(Sc2cc(I)ccc2Br)c1 2338300440 GMBCJHWBKQSDQO-UHFFFAOYSA-N 446.107 5.085 30 10 IKEE Cc1cc(Br)c(CNc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)s1 2365106733 QNIRRXLSDWCIAB-UHFFFAOYSA-N 435.196 5.471 30 10 IKEE C=C(C)COc1cccc(NC(=O)CCCCC(=O)Nc2cccc(OCC(=C)C)c2)c1 9826355 NVVJVLMWBFVPLX-UHFFFAOYSA-N 436.552 5.734 30 10 IKEE CN(C)c1ccc([C@H]2CC(c3cccc(/N=C/c4ccccc4)c3)=NN2c2ccccc2)cc1 15772760 PVEPRPBPZKCGHR-ZBISPMLPSA-N 444.582 6.859 30 10 IKEE CCOc1ccc(/N=C2/SC[C@H](C)N2C(=O)CCCOc2ccc(OCC)cc2)cc1 16044525 OHRGRPRIIFNRBB-GEJZQBIKSA-N 442.581 5.295 30 10 IKEE COc1ccc(/N=C(/Nc2cc(-c3ccc(OC)c(OC)c3)[nH]n2)SC)cc1Cl 20440117 NDYPMFIPWMAGFR-UHFFFAOYSA-N 432.933 5.219 30 10 IKEE Cc1ccc(C(=O)/N=C(/NCc2c(C)nn(C)c2C)Nc2ccc(Cl)cc2C)cc1C 32972414 IIMVWFHAGWMJOS-UHFFFAOYSA-N 437.975 5.014 30 10 IKEE CCCn1cc(CN/C(=N/C(=O)c2ccc(C)c(C)c2)Nc2ccccc2OCC)c(C)n1 32972775 GLFPUZYFJCTTPU-UHFFFAOYSA-N 447.583 5.015 30 10 IKEE CC(=O)Nc1c(-c2ccc(C)cc2)c(C)nn1-c1ccc(C(=O)Nc2cccc(C#N)c2)cc1 33037208 PFTIPUXIQAYFHP-UHFFFAOYSA-N 449.514 5.239 30 10 IKEE O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)c1ccc(-c2ccc(F)cc2)o1 33567699 YIOWZMRGLDMUQV-FNORWQNLSA-N 427.258 7.549 30 10 IKEE CCCOc1ccc(/C=N/Nc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)n2)c(O)c1 38168012 SXSJPVXGWQMVCH-OGLMXYFKSA-N 442.494 5.890 30 10 IKEE O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)Oc2ccc(Cl)cc21 39842462 IFGXVQYLHNTCRM-UUYOSTAYSA-N 433.294 6.462 30 10 IKEE Cc1occc1C(=O)Nc1cccc(C(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)c1 39850984 CWNYCHQKAFJQRG-PKNBQFBNSA-N 431.875 6.650 30 10 IKEE Cc1c(OC(=O)c2ccc(F)cc2)ccc2c1O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 41291965 FIZCREIYONHDOB-HAHDFKILSA-N 430.475 6.267 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O3)CN(Cc1ccncc1)CO2 41648301 AWSDVCCMPKVVAN-OYKKKHCWSA-N 440.543 5.656 30 10 IKEE CCCOc1c(Cl)cc(/C=C/C(=O)Nc2cccc(OCCCC#N)c2)cc1OC 59770855 LJFOAXLJFBTBRI-MDZDMXLPSA-N 428.916 5.472 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(C)cc4)cc(C)c3C2=O)cc1 62883563 AVTVUYGWLPUUTF-XYGWBWBKSA-N 441.527 5.985 30 10 IKEE CCCCCCCCCCCCCCCCNC(=S)NC(=O)c1ccc(C(C)C)cc1 100280738 VBRBGELLKLMCCD-UHFFFAOYSA-N 446.745 7.896 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2cccc(NC(=O)Cc3ccccc3)c2)cc1 100323702 IGCNTOQDXYRIKN-UHFFFAOYSA-N 444.575 6.469 30 10 IKEE CCN1/C(=C\C=C2/CC/C(=C/C=C3\C=Cc4ccccc4N3CC)C2=O)C=Cc2ccccc21 101399735 CKZJFOIJQOLTJP-ZECWEZEUSA-N 446.594 7.077 30 10 IKEE CCOc1ccc([C@@H]2/C(=C(/O)c3ccc(C)cc3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc1 102486483 UJMDAPKVKFTMSA-SADKCHQCSA-N 448.544 5.093 30 10 IKEE CCCc1nc2sc(C)c(-c3ccc(C)c(C)c3)c2c(=O)n1Cc1cccc(C#N)c1 169904434 JIKOQUQLWKERBA-UHFFFAOYSA-N 427.573 5.923 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2cccs2)cc1 169921329 DTTJVWLESIMYMX-HXUWFJFHSA-N 439.920 5.189 30 10 IKEE Cc1ccc(-c2csc(N/N=C\c3ccc(OC(C)C)c(Br)c3)n2)c(C)c1 169940682 AHYIDJFKTHMQKQ-KSEXSDGBSA-N 444.398 6.423 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccs2)cc1 169985011 IIHRHFXOJLKSCJ-QFIPXVFZSA-N 445.496 5.676 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2C)[C@@H]1c1cccnc1 170009516 MSGMNNNEEWHDSE-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccccc2)c(C)c1 170048677 IWXRISMQMBXBKC-RUZDIDTESA-N 441.527 5.910 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(C)cc4)[C@H]3c3cccs3)oc12 170159768 TXHBSZRPYDXAOY-NRFANRHFSA-N 445.496 5.594 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cccs1 170166784 XCWJZHCDXVQXRR-SFHVURJKSA-N 431.941 5.239 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1ccccc1)c1cccc2ccccc12 170229144 HUAYTCUPGVLGIO-XMMPIXPASA-N 441.433 5.901 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(Cl)cc2)c1 170235100 RFTRBSXJAKGGGX-QHCPKHFHSA-N 447.918 5.912 30 10 IKEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4)[C@@H]3c3ccc(Cl)cc3)ccc2O1 170235313 AGKPPDCKVMMSLQ-NPMXOYFQSA-N 445.902 5.446 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)(C)C)c2)[C@H]1c1ccccc1F 170252745 UEKQRIVVPNVUCW-JOCHJYFZSA-N 439.527 5.510 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccc2C)cc1Cl 170271464 CYMZDPWQLCNIOP-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccco2)cc1 170281002 LVKINUMFKWTUIF-NRFANRHFSA-N 432.432 5.094 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccco1 170284110 BDNDXGKEQUCFQL-WHEQGISXSA-N 449.890 5.348 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccco2)cc1C 170286779 FTIMDUVPEWJTNG-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2ccco2)c1 170296980 NZZWZNMUOGEWKK-DEOSSOPVSA-N 445.515 5.464 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)c(Cl)cc2OC)[C@H]1c1ccc(C)o1 170309875 PFJOGCINDNPSPU-HXUWFJFHSA-N 447.915 5.027 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 170345570 WXFHUPFCQBSAOU-QFIPXVFZSA-N 447.556 5.837 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccncc2)=C(O)C(=O)N1c1ccc(Cl)c(Cl)c1 170397621 JWYMKBGURDOFHC-HXUWFJFHSA-N 439.298 5.480 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccco2)=C(O)C(=O)N1c1cccc(C(F)(F)F)c1 170406156 BRTQCSBDXWAGHG-INIZCTEOSA-N 433.407 5.451 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(Cl)cc2)cc1 170421669 AVJLJGLSSYBGFH-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc(OCc2ccccc2)c1 170457600 VQSPCBGYGHQPLV-HSZRJFAPSA-N 445.515 5.369 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)NC[C@@H]1CCCC[C@@H]1C(=O)OC 170506423 HLHLGLYWCAIJOU-DQEYMECFSA-N 437.709 7.344 30 10 IKEE CSc1nc(Nc2ccc(Br)cc2)c(C#N)c(-c2cccc(Cl)c2)n1 243499362 NUNROFARDRLYDL-UHFFFAOYSA-N 431.746 5.897 30 10 IKEE CC(=NNc1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1ccc(Br)cc1 252643158 ZSXWMYUORRBFDB-UHFFFAOYSA-N 443.348 6.409 30 10 IKEE CCN(CC)c1ccc(/C=C2/SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc1 254444416 OGHFRPVDZHCOGX-YUPKMSNSSA-N 427.573 6.341 30 10 IKEE Cc1ccc(S(=O)(=O)O[C@@H]2C[C@@]3(C)CCC[C@@H]3[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]23)cc1 254475834 VBLKGSKRRMCRKY-JFPMRZOWSA-N 444.637 5.681 30 10 IKEE COc1cc([C@@H]2CC(=O)N(c3ccccc3)C(=Nc3ccccc3)S2)cc(OC)c1OC 254625303 PCIGBRMWJUUTNV-QFIPXVFZSA-N 448.544 5.611 30 10 IKEE Cc1cc(C)c2c(c1)C(=NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl)CCC2 254735038 RUJLNBFWTAAFHG-UHFFFAOYSA-N 425.907 6.003 30 10 IKEE C=C(COC(C)C)[C@@H](NCCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 407133000 WLKARVROFSTZFY-LJQANCHMSA-N 441.410 5.818 30 10 IKEE CCN[C@@H](C#Cc1ccccc1)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 407403099 ITXWBZYHDYIZJG-FQEVSTJZSA-N 429.358 5.498 30 10 IKEE COc1ccc(/C=N\n2c(C)nnc2SCc2cc(C)ccc2C)c(Cl)c1OC 526818426 IONZKMMBXFGVMY-KSEXSDGBSA-N 430.961 5.048 30 10 IKEE CCCCN=c1scc(-c2ccc3c(c2)NC(=O)CO3)n1N=C1CCCCCCC1 588015851 QDXIBALUAZJIQH-UHFFFAOYSA-N 426.586 5.197 30 10 IKEE CCCCCCCCCCCC[C@H](CN(Cc1ccccc1)C(=O)OC(C)(C)C)NC 692559830 QSLWKGBGLSMAQF-RUZDIDTESA-N 432.693 7.323 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@@H](C#N)c1cccc(F)c1Br 698853584 BLTKZSJNESDRLF-INIZCTEOSA-N 439.712 6.248 30 10 IKEE COc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)c(Br)c1 698889538 DFNFJXOHZQJQNU-SFHVURJKSA-N 435.293 5.603 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@@H](C#N)c1ccc(Br)cc1Cl 698941616 DKQJKMPGQVJQKG-AWEZNQCLSA-N 428.718 5.605 30 10 IKEE C=C(Cl)C[C@H](NCCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 710718333 FZUASVZMOGAQEV-NRFANRHFSA-N 436.040 5.057 30 10 IKEE CC(=NO[C@H](c1ccc(/C=C/c2ccc3ccccc3n2)cc1)C1CCCCC1)C(=O)O 725398763 NEANPAYVJXQOKF-DZQMWOSNSA-N 428.532 6.504 30 10 IKEE C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc3c(c2)COC3)[n+]2ccc(CCC)cc2)c1 726573208 QXBGVCKDTYWIIY-UHFFFAOYSA-O 441.576 5.261 30 10 IKEE CCOc1cccc(/C=C2\SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)c1O 1082990355 OJDAQGFZWLUUEA-MLSYBWHESA-N 444.556 6.216 30 10 IKEE O=C(CSc1nc2ccc(N=Cc3ccc([N+](=O)[O-])cc3)cc2s1)Nc1ccccc1 1084008230 LMZMYPLHFCRFAN-UHFFFAOYSA-N 448.529 5.686 30 10 IKEE CCOc1ccc(C=Nc2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1OCC 1084063953 UYFUZLDJVAUPOA-UHFFFAOYSA-N 448.588 6.427 30 10 IKEE Cc1cc(C=Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 1084397086 AVIFRPZAIJRAFU-UHFFFAOYSA-N 431.275 5.548 30 10 IKEE C=CCc1cc(/C=C2\SC(=Nc3ccc(F)cc3)NC2=O)cc(OCC)c1OCC 1084444613 UUVGVJXRMZIXQL-ZHZULCJRSA-N 426.513 5.243 30 10 IKEE C=C(CSc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-])C(=O)O 1088709375 VSEVNUJSMZILQR-UHFFFAOYSA-N 433.791 5.792 30 10 IKEE N#Cc1cccc(NC(=O)Oc2cccc3c(NC(=O)Cc4cccs4)cccc23)c1 1858770607 TXAUJNIEAGBZOT-UHFFFAOYSA-N 427.485 5.565 30 10 IKEE Cc1sc(NC(=O)c2cc(C(C)(C)C)nc3ccc(Br)cc23)c(C#N)c1C 1859647384 MIRAGPVLVDHOIC-UHFFFAOYSA-N 442.382 6.097 30 10 IKEE CCCOc1ccc(/C=C/C(=O)C(=O)Nc2ccc(N(CC)CC)cc2C)cc1OCC 1860728995 RBGVOGMLGZFDAW-GXDHUFHOSA-N 438.568 5.250 30 10 IKEE CCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)CCCOc1ccc(C(C)(C)C)cc1 1861692478 QTCFNKROTZKZOO-HHHXNRCGSA-N 446.676 5.905 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCc2cccs2)c1 1862412172 YDAANBMIVONKSQ-NRFANRHFSA-N 439.483 5.156 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(O)c1 1862443402 PCRAUYUNLBKEON-XWRIVVANSA-N 425.912 5.203 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(C(C)C)cc1 1862464049 NKQIVTSAKMLNAG-QFIPXVFZSA-N 445.481 5.852 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862477643 ZIWUTZLKBFYGPJ-KOSHJBKYSA-N 427.500 5.343 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cccc(O)c1 1862506923 BWLFNLACZFGMBJ-CVDCTZTESA-N 439.527 5.777 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccccc2Cl)cc1 1862535157 AQFCNRHMCBNUIX-YTJPUZGESA-N 437.967 6.059 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2Cl)cc1 1862536449 YGXZJFGAPRWWFX-QFIPXVFZSA-N 432.907 5.076 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2[C@H](C)CC)cc1OC 1862537743 CGRBIVMUIGBOPK-MWTRTKDXSA-N 437.536 5.033 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2C2CCCC2)cc1 1862538631 OYNVHHUINAQFOF-VWLOTQADSA-N 447.575 5.949 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(Cl)cc1Cl)c1cccc(O)c1 1862597428 KIRQYFYQHKASBD-HXUWFJFHSA-N 446.330 5.610 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C2CCCCC2)cc1 1862613576 KOOOSFYYVYRGFV-DEOSSOPVSA-N 431.576 6.204 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(Cl)cc1 1862618803 YTSQMKAUNJKXBS-QFIPXVFZSA-N 439.983 6.262 30 10 IKEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc(Cl)c1 1862651770 ANVGOTRQUNDTJJ-HSZRJFAPSA-N 448.950 5.023 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc2cc[nH]c2c1 1862660800 MLGXOGPXZLDZMA-RUZDIDTESA-N 444.575 6.450 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccccc1 1862721044 AQQFOBADECSJEK-RUZDIDTESA-N 425.528 6.122 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(O)cc1 1862723472 ANQMXESPTFZPDO-RUZDIDTESA-N 441.527 5.684 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)c1 1862747353 PUITYQGTPWBSTE-SAWYMBPVSA-N 434.492 5.060 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(Cl)c1 1862758949 IIEXHZURIOYGAD-ADLMAVQZSA-N 449.290 5.278 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N(CCC(=O)OC)c1ccccc1 1866342554 PIAWPINBKXZLSG-UHFFFAOYSA-N 445.688 7.844 30 10 IKEE Cc1ccc([C@H](C(=O)N[C@@H](C(=O)Nc2ccccc2C#N)c2ccccc2)C(C)C)cc1 1866958822 BEZXGGNOAOHHLT-JWQCQUIFSA-N 425.532 5.103 30 10 IKEE CCc1nc(Nc2ccc(C#N)cc2)cc(N2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)n1 1868291233 LVHGTXKZHPGLJL-HXUWFJFHSA-N 437.469 6.015 30 10 IKEE CCCc1nc(Nc2ccc(C#N)cc2)cc(N2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)n1 1868401418 YZNUEPBMWAUZFT-HTAPYJJXSA-N 431.515 5.150 30 10 IKEE CCCCCCOc1ccc(-n2nnc(C#N)c2NC(=O)/C=C/c2ccc(C)cc2)cc1 1870141411 PUVFLIBSHFDXNL-LFIBNONCSA-N 429.524 5.058 30 10 IKEE C=CCn1cc(OCC(=O)Nc2ccc(CC)cc2)c(=O)cc1CSc1ccc(C)cc1 1870202076 GKFLYQLKBRYKQD-UHFFFAOYSA-N 448.588 5.215 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc(F)c2)cn1CCCCCCCC 1870614299 GBNZXPJOGTWLOG-UHFFFAOYSA-N 440.603 6.101 30 10 IKEE CCCCCCCCn1cc(OCCc2ccccc2)c(=O)cc1CN(CCC)CCC 1870692032 YRXDOTGOQWBKKY-UHFFFAOYSA-N 440.672 6.452 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCC)c(=O)cc1CN(CCC)CCCC 1870694880 VYHWOYDFXPMQOY-UHFFFAOYSA-N 436.637 5.163 30 10 IKEE CCCCCCCOc1cn(CCCOCC)c(CNc2ccc(OC)cc2C)cc1=O 1870830127 DMCSVIJVJDAYPG-UHFFFAOYSA-N 444.616 5.553 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2)c(=O)cc1CNc1ccccc1CC 1870898535 WWSHTFJSXHUGFM-UHFFFAOYSA-N 446.635 6.962 30 10 IKEE C#CCOc1cn(CCCCCC)c(CNc2ccc(Oc3ccccc3)cc2)cc1=O 1871009003 YPRQUPMXAOZSCZ-UHFFFAOYSA-N 430.548 5.845 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc4c3CN(Cc3cccc(Cl)c3)CO4)C2=O)c1 1871348024 LIJMAFYUAFFMTE-FMCGGJTJSA-N 433.891 5.317 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(ccc4c3CN([C@@H]3CCCC[C@@H]3C)CO4)C2=O)cc1 1871351048 IBLMHGMXZTYJSH-FXESJEBNSA-N 446.591 5.880 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OC(=O)CCc4ccc(Cl)cc4)cc(C)c3C2=O)c1 1871368845 RAMWTEOHCPMHHS-UCQKPKSFSA-N 432.903 6.111 30 10 IKEE Cc1c(OC(=O)c2ccc(Cl)c(Cl)c2)ccc2c1O/C(=C\c1cccs1)C2=O 1871372146 BTFIQLLEVWDYOT-ZDLGFXPLSA-N 431.296 6.199 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc([N+](=O)[O-])cc4Cl)c3C)C2=O)o1 1871374162 UXNNIXNTFILYOS-GRSHGNNSSA-N 439.807 5.293 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCCCCOc4ccccc4C)ccc3C2=O)c1 1871405458 RUPBFXIZSKDEET-ONUIUJJFSA-N 430.500 5.858 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4cc(C)ccc4C)ccc3C2=O)cc1 1871411917 MCDWOGADGSZIIC-ILRHRSLTSA-N 427.500 5.634 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4cc(Cl)ccc4C)ccc3C2=O)cc1 1871413611 LHIGFULTRUYDQX-SAMUYDCASA-N 447.918 5.979 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccc(Cl)cc4)ccc3C2=O)c1 1871415119 SZNHXKZXDCJRMP-GEWRUKCFSA-N 433.891 5.671 30 10 IKEE CCCC[C@H](Oc1ccc2c(c1C)O/C(=C\c1ccc(Cl)cc1Cl)C2=O)C(=O)O 1871423104 MNOWQNRWMUKQHZ-LTUPMRBCSA-N 435.303 5.940 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(c4ccccc4)c4ccccc4)cc(C)c3C2=O)cc1 1871431233 KPMJIQOLOQRPMQ-USHMODERSA-N 446.546 7.342 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(F)c(Cl)c4)ccc3C2=O)o1 1871441778 XMASGIKQVMKOLR-JMIUGGIZSA-N 427.815 5.014 30 10 IKEE Cc1cc(OCCN2CCCCC2)cc2c1C(=O)/C(=C/c1ccc(-c3ccccc3)cc1)O2 1871451210 JSNVTMRCYPXLQL-DIBXZPPDSA-N 439.555 6.143 30 10 IKEE C=CCNC(=O)c1ccc2nc(-c3ccc(OCc4ccccc4C)c(OCC)c3)[nH]c2c1 1872731478 WMZNWRICDHBKLB-UHFFFAOYSA-N 441.531 5.432 30 10 IKEE COc1ccc(Cl)cc1C(=O)[C@H](C#N)c1nc(-c2ccc(Br)cc2)cs1 1872765475 PPUOZRNMMKTKMG-HNNXBMFYSA-N 447.741 5.725 30 10 IKEE Cc1cc(OCC(=O)[C@@H](C#N)c2nc(-c3cccc(Cl)c3)cs2)cc(C)c1Cl 1872766389 IKZDGDUTDAPLPG-QGZVFWFLSA-N 431.344 5.989 30 10 IKEE N#C[C@H](C(=O)Cc1cccc2ccccc12)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872768814 COAJXZWNPOAMGW-GOSISDBHSA-N 437.351 6.689 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)n2)c(C)c1C 1872778665 QCGKJWMOXHKWEF-IUYMFKLXSA-N 433.489 5.233 30 10 IKEE CC(=O)Nc1cccc(NC(=O)c2cccc(CSc3nc(C)c(C)c(C)c3C#N)c2)c1 1872893528 YZGUTDRIGUKYCB-UHFFFAOYSA-N 444.560 5.382 30 10 IKEE C=CCOc1ccccc1OCC(=O)Nc1nc(-c2c(C)[nH]c3cc(C)ccc23)cs1 1873749001 FIBBNTAQEUNZGS-UHFFFAOYSA-N 433.533 5.491 30 10 IKEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3cccc(Cl)c3Cl)c(=O)oc2c1 1873943867 GRPJRPWVWJAZOM-UHFFFAOYSA-N 446.330 5.934 30 10 IKEE CCCSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1ccc(N(C)C)cc1 1874259321 UEQUIJJNKIQDEE-KOEQRZSOSA-N 437.613 5.260 30 10 IKEE CCSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1ccc(C(F)(F)F)cc1 1874261736 PVVNOLLJJLUKEN-KIBLKLHPSA-N 442.413 5.148 30 10 IKEE CCCCC1CCC(c2nnc(SCCO)n2/N=C/c2ccc(C(C)C)cc2)CC1 1874287085 MZGSXRIGEVNDDI-KOEQRZSOSA-N 428.646 5.832 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2/N=C/c2cn(C)c3ccccc23)CC1 1874287709 STYXUAKDJPLDFQ-YZSQISJMSA-N 437.657 6.618 30 10 IKEE CCCOc1cccc(/C=N/n2c(CCc3ccc(OC)cc3)nnc2SCCC)c1 1874307645 HOMFEZDVEBWPPU-XIEYBQDHSA-N 438.597 5.245 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccc(C)cc3)n2/N=C/c2ccccc2)cc1 1874348031 RUVOAXJFQXNTTM-YZSQISJMSA-N 428.561 5.360 30 10 IKEE COc1ccc(Cc2nnc(SCc3cccc(C)c3)n2/N=C/c2ccccc2F)cc1 1874350619 VTNNHUCTUXGSLZ-JVWAILMASA-N 446.551 5.500 30 10 IKEE Cc1ccc(/C=N/n2c(SCC(=O)OCC(C)C)nnc2-c2ccccc2Cl)cc1 1874367790 FOMPGSDWPKLVJB-WYMPLXKRSA-N 442.972 5.080 30 10 IKEE COc1ccccc1/C=N/n1c(CC2CCCCC2)nnc1SCc1ccc(C)cc1 1874405013 BAPDJCDUVSLQFP-YZSQISJMSA-N 434.609 5.892 30 10 IKEE CSc1nnc(Cc2ccccc2)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1874415055 WCGRUAZBUXKJGI-WGOQTCKBSA-N 448.979 5.705 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2ccc(C(C)C)cc2)cc1 1874425332 CGLYWMXKPPLSTO-WPWMEQJKSA-N 426.589 6.551 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(-c2cccs2)n1/N=C/c1cccs1 1874425544 ODBGNQJWXHWHIY-UFFVCSGVSA-N 434.974 6.035 30 10 IKEE CC(C)(C)c1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2-c2ccco2)cc1 1874465772 AOGJEBDBQZVEAR-CVKSISIWSA-N 434.540 6.149 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874479606 IPSFIYSGACYQAT-WGOQTCKBSA-N 441.044 6.746 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCc3cccc4ccccc34)nnc2C(C)(C)C)c1 1874485389 RQOSROPZFRTRAE-CVKSISIWSA-N 430.577 5.917 30 10 IKEE COc1cc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CC2)cc(Cl)c1O 1874520533 IYQZEIQKIPMUOC-AUEPDCJTSA-N 449.363 5.351 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C2CC2)c(O)c1 1874523621 XZGGTMXJQRYUJM-LSFURLLWSA-N 435.336 5.048 30 10 IKEE Cc1ccc(COc2cccc(/C=N/n3c(S)nnc3CCc3cccs3)c2)cc1 1874561735 GRGFBWWDCIOGTO-BUVRLJJBSA-N 434.590 5.183 30 10 IKEE CC(C)COC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc2c(c1)CCCC2 1874571788 GPMPVOLNBWKOFQ-PKNBQFBNSA-N 426.940 5.693 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c1OCc1ccc(C)cc1 1874572058 ULVFFMVQCZNQCK-BUHFOSPRSA-N 446.974 7.011 30 10 IKEE COc1ccccc1C(=O)/C=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12 1874576794 GWGWLNLKOYWNTM-FOCLMDBBSA-N 439.467 6.232 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(Cl)cc2)c1OCC(=O)Nc1cccc(C)c1C 1874578314 HLNYYYUAAZNLEW-NTCAYCPXSA-N 449.934 5.879 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C)cc2)c1OCC(=O)Nc1cccc(C)c1C 1874579718 FCRWNSAQOPTEOU-FOCLMDBBSA-N 429.516 5.534 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2cc(C)ccc2C)c1OCC(=O)OCC(C)C 1874580181 BAVSDWQORKFENE-CMDGGOBGSA-N 430.928 5.440 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2cc(Br)ccc2OCC)cc1 1874584462 PDPOMERIJUTLCH-RVDMUPIBSA-N 445.397 7.093 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2cccc(Cl)c2)c(OC)c1 1874587781 DESSNHDRSGJUBT-JLHYYAGUSA-N 438.907 5.841 30 10 IKEE CCCOc1c(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc(Br)cc1OC 1874590967 ZDNZGDGTNWKUIK-PKNBQFBNSA-N 445.397 6.749 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OCc1ccc(Cl)cc1Cl 1874596389 NFAKIHVXBDYOAN-VZUCSPMQSA-N 427.327 6.786 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OCC(=O)N[C@H](C)c1ccccc1 1874598956 OCWYTGOBSQJIFS-QGFLDLQWSA-N 443.543 5.464 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OCCc3ccccc3)c2)c(OCC)c1 1874600538 RCSBDDIVSSKEMQ-RVDMUPIBSA-N 446.543 6.010 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OCCc3ccccc3)c(Br)c2)c1 1874605224 JZFIRTUQYTUYRS-ZRDIBKRKSA-N 437.333 5.975 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(C)cc1C 1874613244 KHXAWLHUZWRENK-DHZHZOJOSA-N 449.934 5.879 30 10 IKEE C=CCOc1c(Cl)cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc1OCC 1874624831 XOKOCQNXXPFSNR-PKNBQFBNSA-N 428.956 6.506 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)c(C)c1C 1874628251 TVFFPLRIZPFXSX-NTEUORMPSA-N 443.543 5.842 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cc4ccccc4n3C)c2)cc1 1874695954 ARMUMJLSNJBARD-OBGWFSINSA-N 437.539 6.636 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(Cl)cc3Cl)c2)cc1 1874701161 FEOKBONQSKXJCE-AWNIVKPZSA-N 441.310 6.507 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)Oc1cccc(/C=C/C(=O)c2ccc(C)cc2)c1 1874702051 QLMOGOWKMLWPGV-MDWZMJQESA-N 441.310 6.426 30 10 IKEE CCc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)ccc2OC)cc1 1874705901 FZLGHMLEYXSNPR-RQZCQDPDSA-N 442.555 6.670 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(Cl)cc3Cl)c2)cc1F 1874707222 VFWFJZPFOBEZIE-WEVVVXLNSA-N 445.273 6.256 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cccc(C)c3)c2)c(OCC)c1 1874714570 CPWSUCWVQLVBKP-NTCAYCPXSA-N 430.500 5.908 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2cccs2)CSc2nnc(-c3cccs3)n21 1874953569 GRGPKEHTZLUAPF-INIZCTEOSA-N 446.667 6.130 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl 1875111505 DCMTUIVIJHQCCY-ACCUITESSA-N 441.310 6.507 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)[C@@H]1C[C@H]1c1ccccc1Cl 1875128711 QQYQMYIUPKPIHE-HNSSNFPDSA-N 446.930 6.344 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)c1ccccc1F 1875131188 LKSCBMSPMJECBT-PKNBQFBNSA-N 438.882 6.220 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)[C@@H](C)c1ccccc1 1875133221 KPRBSLOHVFQAJI-QZEGLACASA-N 430.500 5.617 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1Br 1875155367 FEJVIGQEPMMCTD-NTUHNPAUSA-N 429.354 6.564 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1cccc(F)c1 1875163900 JFWFCPZONJGTMV-UXBLZVDNSA-N 426.390 5.618 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)cc2)cc1 1875168675 PEISDHSJYMZZGP-GHRIWEEISA-N 440.583 6.917 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1ccccc1OC 1875169882 CQYFUFKJDMHNMF-ACCUITESSA-N 444.527 6.053 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC3CCCCC3)cc2)c(OCC)c1 1875178115 UPSFWUHNKCHARD-SFQUDFHCSA-N 436.548 6.256 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1ccc(NC(=O)OC(C)(C)C)c(OC)c1 1924323336 BZDXQAGKSBPNCD-DEOSSOPVSA-N 440.584 5.856 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(C(=O)OC(C)(C)C)[C@@H]3CCC[C@@H]32)cc1 1926547066 WWYQAHXWZPFJLV-WZOHSFFVSA-N 441.572 5.418 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 1944698930 WBGJYFLBVUOSDO-QUCCMNQESA-N 429.561 5.276 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]1(C)[C@](C)(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1978218118 KJOGKDPFVOFKBL-VXKWHMMOSA-N 435.590 5.167 30 10 IKEE C=CCC[C@H](C)[C@H](NCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 1996467090 MYPONGLPFDCMIZ-GMAHTHKFSA-N 429.649 5.126 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@](C#N)(N(Cc1cccs1)C(=O)OC(C)(C)C)C2 1997335977 QYHSHMLEMFWICJ-GPVSGQMNSA-N 447.601 5.309 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)C1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 1997653042 PQPYFBKZDHHBFQ-QZTJIDSGSA-N 429.561 5.213 30 10 IKEE O=C(C(=Cc1ccc(N2CCOCC2)cc1)c1nc2ccccc2[nH]1)c1cccc(Cl)c1 2040459710 XPVLVQSVOHDDCB-UHFFFAOYSA-N 443.934 5.476 30 10 IKEE CCOC(=O)c1cc(Cl)c(OCC(=O)C=C2N(C)c3ccccc3C2(C)C)c(Cl)c1 2040463515 BTMOOIHWOSPSKB-UHFFFAOYSA-N 448.346 5.430 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCC[C@@H]1OCc1ccccc1 2043761021 FHZYIGPBXJOBKS-OZXSUGGESA-N 436.552 5.858 30 10 IKEE Cc1cnc(N(Cc2ccccc2)[C@H](C)c2cccs2)c(B2OC(C)(C)C(C)(C)O2)c1 2052554994 CNAFGIUIURVFMA-LJQANCHMSA-N 434.414 5.519 30 10 IKEE C#CCCC[C@H](NCCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071269187 ZKDWIXMBHDITFA-MHZLTWQESA-N 427.588 6.689 30 10 IKEE C=C1CC(C[C@H](N)[C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1 2071360027 XKSXQUNPDDVFOI-LSYYVWMOSA-N 429.560 5.562 30 10 IKEE CC(C)(C)c1nn(Cc2ccc(F)cc2C(F)(F)F)c(Br)c1C(F)(F)F 2079834032 AAFOQUSRAQMTRW-UHFFFAOYSA-N 447.192 6.168 30 10 IKEE CC(C)c1nn([C@@H](c2ccc(C(F)(F)F)cc2)C2(C)CC2)c(Br)c1C#N 2079843765 ITVCMTZAKKVISK-INIZCTEOSA-N 426.280 6.049 30 10 IKEE CC[C@@H](c1ccc(C(F)(F)F)cc1F)n1nc(C2(C)CC2)c(C=NO)c1Br 2079946505 WTXYDPLJMCKEPF-AWEZNQCLSA-N 448.258 5.663 30 10 IKEE CC(C)c1ccc([C@H](C2CC2)n2nc(C(C)(C)C)c(C#N)c2I)cc1 2079971349 GBINXRGZSIOESX-GOSISDBHSA-N 447.364 5.780 30 10 IKEE N#Cc1c(C(F)(F)F)nn([C@@H](c2ccc(C(F)(F)F)c(F)c2)C2CCC2)c1Cl 2080051894 FXYQWPPYFFFSGX-CYBMUJFWSA-N 425.735 5.974 30 10 IKEE CC(C)Oc1ccc([C@@H](C2CC2)n2nc(C3CC3)c(C#N)c2I)cc1 2080120060 UTYDNCYRYSYRFU-LJQANCHMSA-N 447.320 5.023 30 10 IKEE C=CCCCCCCCCC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2086280530 IJKWXBOPFYDITN-HHHXNRCGSA-N 442.644 6.032 30 10 IKEE CN[C@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)C1CCCCCC1 2086676140 MEABODCRCUJMCP-MUUNZHRXSA-N 432.656 5.073 30 10 IKEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1c(Cl)cccc1Br 2094994731 LABUZJZPGNNTEA-MRXNPFEDSA-N 444.801 5.246 30 10 IKEE N#Cc1c(F)cc(Br)cc1NC[C@]12CCC[C@@H]1CN(Cc1ccccc1)C2 2163689631 INRMIQJEDXWOQI-VGSWGCGISA-N 428.349 5.174 30 10 IKEE C=C1CC(C[C@@H](NCC)[C@@H](Cc2ccc(Br)cc2)NC(=O)OC(C)(C)C)C1 2182134631 GSNDOMVRNUITKW-WOJBJXKFSA-N 437.422 5.219 30 10 IKEE CCCCCCC[C@@H](N)c1sc(Br)c(Br)c1Br 2216554156 DOHSKNIQHPSLMD-MRVPVSSYSA-N 448.062 6.396 30 10 IKEE C=CCC[C@H](C)[C@H](NC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229131305 ZIAOYJXVLJDOAK-SNRMKQJTSA-N 425.411 5.075 30 10 IKEE Cc1cc(Br)c(C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)cc1Cl 2239528079 GJVJPPXLDTXANX-UHFFFAOYSA-N 442.590 5.109 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@H](C#N)c1c(F)ccc(Br)c1F 2239731617 JFHUYDQUIWOZLC-OAHLLOKOSA-N 441.247 5.873 30 10 IKEE C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)[C@H]1C[C@H](B2OC(C)(C)C(C)(C)O2)C1 2247817398 UBQKXUITERWHFE-IHPCNDPISA-N 425.403 5.710 30 10 IKEE C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(Cl)c1 2255784680 QHVLXMUEBFVLPY-QGZVFWFLSA-N 439.792 5.080 30 10 IKEE CC(C)N(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(F)(F)F)c1 2267128330 PVTGZFAHGWTDAJ-UHFFFAOYSA-N 447.306 5.055 30 10 IKEE Cc1cc(C(=O)N(Cc2ccccc2)Cc2ccco2)cc(C)c1B1OC(C)(C)C(C)(C)O1 2281944391 RPZXNIMMDADLRE-UHFFFAOYSA-N 445.368 5.038 30 10 IKEE CN[C@@H](CC=CC#CC(C)(C)C)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2284137617 QGDOWHHPUZZWHS-SFHVURJKSA-N 435.406 6.052 30 10 IKEE C[C@@H](CC1CCN(c2c(Br)cccc2C#N)CC1)N(C)C(=O)OC(C)(C)C 2285187960 KYNGIZUEJWJELJ-HNNXBMFYSA-N 436.394 5.183 30 10 IKEE CCN[C@H](C#CC1CCCCC1)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2289679778 BGKCVFQZIAUUDL-LJQANCHMSA-N 435.406 6.030 30 10 IKEE CCN[C@@H](CC#CC1CCCC1)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2289849474 JCPCAKHWPIOJEY-IBGZPJMESA-N 435.406 6.030 30 10 IKEE Cc1cc(C=C2SC(=Nc3ccc(F)cc3)NC2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 2293990386 WDLXOKWWOKRWLN-UHFFFAOYSA-N 447.579 6.422 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(O)c3CN3C[C@@H](C)C[C@@H](C)C3)C2=O)c2ccccc21 2296603257 NZJVEMLDYNICJQ-HDICACEKSA-N 430.548 5.461 30 10 IKEE COc1cc(C=C2SC(=Nc3c(C)cccc3C)N(c3ccccc3)C2=O)ccc1O 2296737817 WOBPYWLILPGBNJ-UHFFFAOYSA-N 430.529 5.826 30 10 IKEE N#Cc1nc(C=Cc2ccccc2)oc1NC[C@@H](c1ccc(Cl)cc1)N1CCCCC1 2297576217 FIAPKYDADLZZIE-QHCPKHFHSA-N 432.955 6.009 30 10 IKEE Cc1ccc(-c2nc3cc(N=Cc4ccc(-c5cc(Cl)ccc5Cl)o4)ccc3o2)cc1 2297710442 IUFAPFHCQSRGAP-UHFFFAOYSA-N 447.321 8.121 30 10 IKEE Fc1ccc(-c2nc(-c3ccccc3)c(N=C(c3ccccc3)N3CCOCC3)s2)cc1 2297748645 TWSWNMOVSBZTMG-UHFFFAOYSA-N 443.547 6.027 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC[C@](C#N)(N(Cc3cccs3)C(=O)OC(C)(C)C)C2)C1 2301580194 NQGWAQMGMRSIPV-QHCPKHFHSA-N 447.601 5.169 30 10 IKEE COc1cccc(COc2ccc3c(c2)OC(=Cc2ccccc2Br)C3=O)c1 2314437366 KUJLYCSSIMGWFH-UHFFFAOYSA-N 437.289 5.653 30 10 IKEE CCCCCCCCCCn1c(C=Cc2c(Cl)cccc2Cl)nc2ccccc21 2314591594 TWBVXYZRFMLPJD-UHFFFAOYSA-N 429.435 8.654 30 10 IKEE C(=Nn1c(SCc2ccccc2)nnc1C1CC1)c1cccc(OCc2ccccc2)c1 2320850086 SWAHQXAGAZZCHG-UHFFFAOYSA-N 440.572 5.909 30 10 IKEE Cc1ccc(CN2COc3cc(C)c4c(c3C2)OC(=Cc2ccc3c(c2)OCO3)C4=O)cc1 2321958796 PVYFIGHTMONKKN-UHFFFAOYSA-N 441.483 5.000 30 10 IKEE CCc1ccccc1NC(=O)COc1c(C=CC(=O)c2ccccc2Cl)cccc1OC 2322437156 WHZYEWXRWCBQPF-UHFFFAOYSA-N 449.934 5.825 30 10 IKEE COc1ccc([C@H](C)N2COc3c(cc4c(c3C)OC(=Cc3ccc(F)cc3)C4=O)C2)cc1 2322437240 SKPKCMCTZNYNEM-KRWDZBQOSA-N 445.490 5.672 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(OC)c3ccccc23)c1OCc1cccc(C)c1 2323020019 LVMCVDZMFORGNN-UHFFFAOYSA-N 438.523 6.641 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc3c(c2C)OC(=Cc2cccs2)C3=O)cc1 2323076276 YYNRRMAAHXCIIP-UHFFFAOYSA-N 436.485 5.056 30 10 IKEE Cc1ccc(CCC(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(N(C)C)cc2)C3=O)cc1 2323087122 JNRKSAFUPJZFNJ-UHFFFAOYSA-N 441.527 5.524 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCc3c(Cl)cccc3Cl)c2)cc1 2323094396 VXLLGLVZTIOBSU-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE O=C(COc1cccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)c1)NCc1ccco1 2323150687 GLXRDQJITJKKCY-UHFFFAOYSA-N 430.287 5.178 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cccc(OCC(=O)Nc3c(C)cccc3C)c2)c(C)c1 2323302940 PEIYBVNLSNIUED-UHFFFAOYSA-N 427.544 6.142 30 10 IKEE Cc1c(OC(=O)c2cccc([N+](=O)[O-])c2)ccc2c1OC(=Cc1cccc(Cl)c1)C2=O 2323310200 ARGCRLSQXZHIEA-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC)c(OCc3ccccc3Cl)c2)cc1C 2323310661 COCSOPCKJZVGCU-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1 2323370816 WCTIDLRPRZPJSR-UHFFFAOYSA-N 426.468 5.406 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)c3ccc(OC(C)C)cc3)cc(C)c2C1=O 2323814163 WFLXRBVMYGOVHZ-UHFFFAOYSA-N 428.484 5.926 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OC 2323985398 PZLBQPQTWFDNBT-UHFFFAOYSA-N 427.516 5.066 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 2324244890 PIHXJWPFKPJCBR-UHFFFAOYSA-N 440.358 5.256 30 10 IKEE COc1cccc(C=C2Oc3cc(OCCCCOc4ccccc4)ccc3C2=O)c1OC 2324574766 ILWBDODJIGKXFC-UHFFFAOYSA-N 446.499 5.558 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)cc1C 2324649251 PGGXOFJKSCRBAQ-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE CCCOc1c(Br)cc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1OC 2324665552 JXFGLXHEVVWCQU-UHFFFAOYSA-N 444.152 6.449 30 10 IKEE CCCCCCCCCOc1ccc2c(c1C)OC(=Cc1ccc(N(CC)CC)cc1)C2=O 2325196477 HLOXFCUKJSHJIZ-UHFFFAOYSA-N 449.635 7.587 30 10 IKEE O=C(C=Cc1ccc(F)c(Br)c1)C(=O)Nc1ccc(Nc2ccccc2)cc1 2325610309 ZYCFUAOPVXSKFT-UHFFFAOYSA-N 439.284 5.553 30 10 IKEE CCCOc1ccc(C=CC(=O)C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1OC 2325649280 IUOOFIAQSUJMOX-UHFFFAOYSA-N 430.504 5.449 30 10 IKEE O=C(COc1cc(F)ccc1F)Oc1cccc(C=CC(=O)c2ccc(F)c(F)c2)c1 2325753636 KQEIANKHVWBNKS-UHFFFAOYSA-N 430.353 5.124 30 10 IKEE CCc1ccc(CCC(=O)Oc2cc(C=CC(=O)c3ccc(C)c(C)c3)ccc2OC)cc1 2325760008 XLLVNZZOFYYGRA-UHFFFAOYSA-N 442.555 6.309 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(OCC(C)C)cc3)c2)cc1C 2325760493 GMWVBFXCPGLLDD-UHFFFAOYSA-N 428.528 6.454 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC(=O)Cc2ccc(Cl)cc2)c1 2325765556 NPCHSBZXDCBXOV-UHFFFAOYSA-N 446.974 6.990 30 10 IKEE CCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1cccc(Cl)c1 2326063641 XPSJYIKQYFUXET-UHFFFAOYSA-N 435.380 5.591 30 10 IKEE CCOc1cc(C=Nn2c(C)nnc2SCc2cccc(C)c2)cc(Cl)c1OC 2326377365 SFWGJDVICBWQEN-UHFFFAOYSA-N 430.961 5.130 30 10 IKEE C=CCSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1ccccc1Cl 2326398957 RKHMOQWMFIYJAC-UHFFFAOYSA-N 441.000 5.720 30 10 IKEE Cc1c(C=Nn2cnnc2SCc2ccc(Cl)c(Cl)c2)c2ccccc2n1C 2326489340 POMQJPLBHZPBEE-UHFFFAOYSA-N 430.364 5.560 30 10 IKEE Clc1ccc(OCc2nnc(SCCc3ccccc3)n2N=Cc2ccc[nH]2)cc1 2327559764 BXQJLUFZWLQJCH-UHFFFAOYSA-N 437.956 5.056 30 10 IKEE Cc1cccc(C=Nn2c(COc3cccc(C)c3C)nnc2SCc2ccccc2)c1 2328846854 NLIDLEFTXRJAGU-UHFFFAOYSA-N 442.588 5.957 30 10 IKEE C=CCSc1nnc(Cc2ccc(OC)cc2)n1N=Cc1ccc(Cl)cc1Cl 2329282952 IYKWZLQZSUFGQH-UHFFFAOYSA-N 433.364 5.345 30 10 IKEE Cc1ccc(C(=CC(=O)N[C@H](C(=O)Nc2ccc(C#N)cc2)c2ccccc2)C2CC2)cc1C 2329603841 NJBWLIJGJTZKHQ-NDEPHWFRSA-N 449.554 5.465 30 10 IKEE CC(=Cc1ccccc1Cl)C(=O)N[C@@H](C(=O)Nc1cccc(C#N)c1)c1ccccc1 2330473536 KTCXKPRBQRLYHS-HSZRJFAPSA-N 429.907 5.111 30 10 IKEE C=CCSc1nnc(CC(C)(C)C)n1N=Cc1ccc(N(CC)Cc2ccccc2)cc1 2330855789 YBFHZMFKHDRYPD-UHFFFAOYSA-N 447.652 6.054 30 10 IKEE Cc1cccc(CSc2nnc([C@@H]3CCCO3)n2N=Cc2ccc(Cl)cc2Cl)c1 2330929450 QQRMPQCZFVRRIV-IBGZPJMESA-N 447.391 5.919 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H](C)Oc3ccc(Cl)cc3)cc2)cc1 2330952303 OEICHCLQXDMXIR-KRWDZBQOSA-N 436.891 5.618 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3)c([N+](=O)[O-])c2)cc1 2330970877 RXKNKNBNUSEFFB-UHFFFAOYSA-N 431.444 5.038 30 10 IKEE Cc1ccc(C=Nn2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2-c2ccco2)cc1 2331183543 CJLBBOJFVKOXBA-UHFFFAOYSA-N 445.548 5.076 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(C)c3)cc2Cl)cc1C 2331337296 PMZHCBKQNSMTGD-UHFFFAOYSA-N 436.910 6.449 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3F)c([N+](=O)[O-])c2)ccc1F 2331339800 AAVVBDNOMGZYCB-UHFFFAOYSA-N 441.361 5.436 30 10 IKEE CCc1ccc(C=Nn2c(SCC(=O)Nc3ccc(C)cc3)nnc2C(C)(C)C)cc1 2331381175 SAEMQSWXCLKDLL-UHFFFAOYSA-N 435.597 5.059 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2c[nH]c3ccccc23)cc1C 2331673993 QQFUGZZSACYGEN-UHFFFAOYSA-N 446.580 5.113 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2cccnc2)c(Cl)c1 2331755363 GLVUHZIPYTZXTJ-UHFFFAOYSA-N 442.298 5.821 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)cc3)cc2)c2ccccc12 2331864214 BSGHGQCAMBGKOK-UHFFFAOYSA-N 440.470 6.032 30 10 IKEE C=C(C)[C@@H]1CCC(C)=C[C@H]1C1=C(O)C(NCc2ccccc2)=C(CCCCC)C(=O)C1=O 2333299634 CGGGAXJIRQSRPH-JTHBVZDNSA-N 433.592 6.123 30 10 IKEE C[C@@H]1CCN(Cc2ccccc2)C[C@H]1Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339590241 KIOJYSXRLYFELY-NFBKMPQASA-N 433.405 5.049 30 10 IKEE C=CCc1ccc(OCCOc2ccccc2/C=C2/SC(=S)N=C2O)c(OC)c1 2978342 GSRJYVNVWVNXPT-XSFVSMFZSA-N 427.547 5.211 30 10 IKEE O=C1CCCC2=C1[C@@H](c1cccs1)n1nc(SCc3cccc(Cl)c3)nc1N2 9608556 IVRVANVSQNUEOW-GOSISDBHSA-N 428.970 5.307 30 10 IKEE C=CCNC(=O)c1ccccc1NC(=O)c1cc(Br)ccc1OCCC(C)C 14650552 AHOGEGKKHOGALI-UHFFFAOYSA-N 445.357 5.042 30 10 IKEE Cc1ccc(/N=C/c2ccc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccccc3)cc2)cc1 15772840 BOOALDUAVCPFPA-LXXHRJRASA-N 429.567 7.410 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(O[C@@H](C)CC)cc2)cc1 20884474 YCNRAJRIUCOYCI-SNYIIPAISA-N 447.575 5.657 30 10 IKEE COc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(C(C)(C)C)cc2)C3)cc1Cl 21218143 GHRDGMCHBSBIBH-HKUYNNGSSA-N 437.967 5.650 30 10 IKEE O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1cc(F)ccc1F)Nc1ccccc1N2 21238500 KBIRASIJDDYZDU-MQNRADLISA-N 436.889 6.598 30 10 IKEE COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(OC)c2O)cc1 21246628 KSVMEUICVNDMHB-WGDIFIGCSA-N 442.515 5.389 30 10 IKEE COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2F)c1 21251517 JYVASCSBDWQVMO-CHAGWJKLSA-N 444.506 5.822 30 10 IKEE Cc1ccc(C(=O)/N=C(/NCc2c(C)nn(C)c2C)Nc2cccc(Cl)c2C)cc1C 32972394 JSMONFRBGOMDAA-UHFFFAOYSA-N 437.975 5.014 30 10 IKEE Cc1noc2c1[C@H](c1ccc(Cl)cc1Cl)C1=C(C[C@H](c3ccccc3O)CC1=O)N2 33026456 CEDOFBNGFVTUKT-QKVFXAPYSA-N 441.314 5.954 30 10 IKEE N#Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccc(Cl)cc4s3)cc2)cc1 33169233 ZAMYOWBJLXSHAN-UHFFFAOYSA-N 425.922 5.289 30 10 IKEE O=C1NC(=N/c2ccc(O)cc2)/C(=C/c2ccc(-c3c(Cl)cccc3Cl)o2)S1 33568353 MTUFYLIIXKOCRJ-YVLHZVERSA-N 431.300 6.487 30 10 IKEE CCn1c(-c2ccc(C(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)s2)nc2ccccc21 35553995 XLHIVKANPLMTCX-UHFFFAOYSA-N 449.535 6.543 30 10 IKEE Cc1cc(OCC(=O)OCc2ccccc2)cc2c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O2 41432598 OVKSFUSPQWGWCH-QFEZKATASA-N 442.511 5.857 30 10 IKEE Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)S2)cc1C 59224049 XNOKXFABQVUTMD-STZFKDTASA-N 436.537 5.094 30 10 IKEE CCCCCCCCCCn1c([C@@H](C)Oc2ccc(Cl)c(C)c2)nc2ccccc21 102189895 RUDFMTQKWPZQQW-OAQYLSRUSA-N 427.032 8.279 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OC(=O)c4cccc(OC)c4)ccc3C2=O)c2ccccc21 102727972 UYMBDJMZLHKKOW-QFEZKATASA-N 439.467 5.505 30 10 IKEE CCOC(=O)C1=C(Nc2ccccc2)S/C(=C/c2cc(Cl)c(O)c(Cl)c2)C1=O 103771613 WHQNNZJURZYMPD-XNTDXEJSSA-N 436.316 5.243 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2cc(C)ccc2C)=C(O)C(=O)N1c1cccc(C)c1C 169944133 JSGMZENFLYNFAM-RUZDIDTESA-N 441.527 5.712 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(OC(C)C)c1 169981036 ZQYPQTGEBGBGGH-QFIPXVFZSA-N 441.955 5.896 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccccc2)cc1 170048887 GZXKFZZBNWVTPF-HHHXNRCGSA-N 447.534 6.746 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc(O)c2)cc1C 170080698 PVYHDOQSBJUXBD-QFIPXVFZSA-N 433.891 5.445 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccccc2C)cc1 170088847 RJVQSWCIXHDENH-AREMUKBSSA-N 449.506 5.940 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2cccs2)cc1 170158859 HLIXOMRFXZGDME-QHCPKHFHSA-N 447.556 5.937 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(OCC(C)C)cc1 170167435 SFTQKANFFIFUEZ-QHCPKHFHSA-N 437.536 5.027 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1cccnc1)c1ccc2ccccc2c1 170184590 CQLXLBNPENEMPZ-QHCPKHFHSA-N 442.421 5.296 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2cccnc2)ccc1Cl 170187636 MVZMIOSJBPCCIQ-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccncc1 170206328 YXSFYWSOKPFTEL-XMMPIXPASA-N 442.515 5.208 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(OCC)cc1 170214008 DOFQLCRNCUMFCW-LJQANCHMSA-N 434.319 5.380 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C2CCCC2)c1 170218740 MHKQVKBHBUDRRK-OAQYLSRUSA-N 425.912 5.260 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@@H]1c1ccccc1 170228912 SDQGTFHYEQIQAC-DEOSSOPVSA-N 425.484 5.103 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1ccccc1)c1ccc2ccccc2c1 170229247 YVSNXOZTOFFNKY-DEOSSOPVSA-N 441.433 5.901 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(F)cc1)c1cccc2ccccc12 170241732 LQWJAKGVYZPCNR-DEOSSOPVSA-N 438.458 5.152 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccc(Cl)c(Cl)c1 170246399 RQZVOFBLQOIENO-IBGZPJMESA-N 429.303 5.463 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3cc(C(C)(C)C)ccc3C)[C@H]2c2ccco2)c1 170285720 ZEGBQDWXTXERKP-XMMPIXPASA-N 443.543 6.285 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC(C)C)c3)[C@@H]2c2ccco2)cc1 170287514 HEGWBACVMPCVMN-QHCPKHFHSA-N 431.488 5.406 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccco2)cc1C(C)C 170287531 NZPJAYDRARCJPD-DEOSSOPVSA-N 445.515 5.811 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2sccc2C)c1 170313833 USXWIGAVUIDNBZ-HXUWFJFHSA-N 437.492 5.377 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1sccc1C 170314761 QWJKZAGKFQWLNM-IBGZPJMESA-N 439.920 5.501 30 10 IKEE O=C(O/C(=N/n1nnc(-c2ccccc2)c1-c1ccccc1)c1ccccc1)c1ccccc1 195762919 IALORDXWAAKPFB-KDJFERLWSA-N 444.494 5.679 30 10 IKEE CO[C@H]1N/C(=C\c2ccc(Cl)cc2Cl)C(=O)N1/N=C/c1ccc(Cl)cc1Cl 195865444 LZFKFSFKYVMANY-XTOHISPASA-N 445.133 5.037 30 10 IKEE C=C(CC)CSCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 230025070 BDNJWMMEAXYTKO-JOCHJYFZSA-N 425.550 5.068 30 10 IKEE C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)C(=O)/C(=C\c3ccc(C(F)(F)F)cc3)C[C@H]12 253575074 UELTYJDTQILMTO-YTBWUBMTSA-N 446.553 6.671 30 10 IKEE Cc1cc(OCc2ccc(C=Nn3c(S)nnc3-c3cccs3)o2)ccc1Cl 254742607 LGMOIRFOJJBBIQ-UHFFFAOYSA-N 430.942 5.311 30 10 IKEE CC(=NOCc1cccc(C)c1)c1cc(-c2ccc(F)cc2)n(-c2ccccc2F)c1C 254759481 XCJZOJHUHJDEGQ-UHFFFAOYSA-N 430.498 6.980 30 10 IKEE CC[C@H](C)C[C@H](C)C[C@@H](C)C[C@H](C)CCCCCCCCC1=C(C)C(=O)C=C(OC)C1=O 257463320 KHHZVKWVVWMRKC-KIHHCIJBSA-N 446.716 8.231 30 10 IKEE CCOc1ccc2c(c1)/C(=C1/SC(=Nc3ccccc3)N(c3ccccc3)C1=O)C(=O)N2 263629993 ALQBXPSBGNDKSG-ZDYVTZELSA-N 441.512 5.216 30 10 IKEE CCCCCCCCC[C@H](N)c1cc(NC(=O)OC(C)(C)C)ccc1Br 406727789 VBZVVJXFUDEMQH-IBGZPJMESA-N 427.427 6.937 30 10 IKEE C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)OC)[C@@H]1CCc1ccoc1CN1CCCCC1 504499630 FSLAVQGJZYEXIY-PPKJMBTNSA-N 427.629 6.150 30 10 IKEE biogenic CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(OCC)cc2)cc1 526515329 JFPGAPCCHRXRMG-VWLOTQADSA-N 440.499 5.413 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(C(C)C)cc2)c1 526518428 XXSLCVJGLYMBJX-AREMUKBSSA-N 438.527 6.138 30 10 IKEE COc1ccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1Cl 526607794 WPZKOCCDQVWJRO-JOCHJYFZSA-N 434.854 5.417 30 10 IKEE CCCCOc1ccc(/C=N\n2c(CCCC)nnc2SCc2ccc(C#N)cc2)cc1 526823196 SSSQCGJTBKOEFJ-IMRQLAEWSA-N 447.608 5.846 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 699658886 LBANDZILHBDERD-MZNJEOGPSA-N 447.551 5.497 30 10 IKEE Cc1nc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)sc1Br 719322130 NZKJPRMVOAFUTQ-ZDUSSCGKSA-N 442.766 5.874 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 724079761 RUJDPJXEUHKLDZ-HOYKHHGWSA-N 435.609 5.533 30 10 IKEE Cc1cccc(/N=C2/S/C(=C/C=C/c3ccco3)C(=O)N2c2cccc(C)c2C)c1C 1614808330 ZSSOKLHEPSQENH-KPTRWJCSSA-N 428.557 6.878 30 10 IKEE N#CCc1ncc(-c2ccc(OC(F)(F)F)cc2)cc1-c1ccc(OC(F)(F)F)cc1 1848362056 YNPRUJOTGUACNC-UHFFFAOYSA-N 438.327 6.279 30 10 IKEE CCCCCCCCCSc1nc(Cl)c2c(C)c(C(=O)OCCC)sc2n1 1857801287 BULHJWJLYJASNB-UHFFFAOYSA-N 429.051 7.063 30 10 IKEE COc1cccc(-n2cc(/C=N\NC(=S)Nc3cccc(C)c3)c(-c3cccs3)n2)c1 1857808469 AHBPKSGARPUPPI-OYKKKHCWSA-N 447.589 5.238 30 10 IKEE Cc1ccc(NC(=S)N/N=C\c2cn(-c3ccc(C)cc3)nc2-c2ccccc2)cc1 1857812194 YJMZDVHBKOPFCF-QQXSKIMKSA-N 425.561 5.477 30 10 IKEE N#Cc1ccc(COc2cccnc2NC(=O)NC2CCCCCCCCCCC2)cc1 1858810531 RCTSCACOMUYASS-UHFFFAOYSA-N 434.584 6.327 30 10 IKEE C[C@H]1C[C@@H](C)CN(C(=O)Oc2cccc3c(NC(=O)c4cccc(C#N)c4)cccc23)C1 1858954409 MCHHRRHPFXUTKR-HDICACEKSA-N 427.504 5.440 30 10 IKEE CC(C)Oc1cccc(/C=C/C(=O)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1 1860730030 WUWZFYVTINNRAX-ACCUITESSA-N 435.907 6.141 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)Cc1ccc(F)cc1 1861479553 MWEQHHXXTZSWBB-RUZDIDTESA-N 440.603 5.353 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862395430 RHBDQTGXCFZDQP-DEOSSOPVSA-N 430.548 5.745 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 1862396083 DCNKVYDTFGUNSK-XMMPIXPASA-N 449.591 5.551 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862401589 FHDXKXLGRHUBKH-XMMPIXPASA-N 449.547 5.313 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc(F)c1 1862430286 HNRANNYCFZANPV-NRFANRHFSA-N 445.918 5.264 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(C(F)(F)F)cc1 1862443866 QFDAYWPTVCMKOY-GOSISDBHSA-N 437.845 5.737 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccc(F)cc2F)cc1 1862478147 ZVUWUUOMSYDYIZ-WAIKUNEKSA-N 433.454 5.613 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(Cl)c(Cl)c1 1862498443 IUJXSFMNLPEMQI-VBKZILBWSA-N 432.347 5.987 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(C(C)(C)C)cc1 1862528249 ROQRLCHEBBXFQI-LJQANCHMSA-N 442.353 5.345 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(F)cc2)cc1 1862530204 OICZRFQHTMBPTA-DEOSSOPVSA-N 429.491 5.209 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2ccccc2F)cc1 1862530415 QKDWYXOHBNLVBU-RUZDIDTESA-N 443.518 5.599 30 10 IKEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2ccccc2C)cc1 1862589599 OIANXPTZINTGTL-XDHUDOTRSA-N 443.499 5.049 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCc2ccccc2)cc1 1862594591 GQWWZXYDUYIRMH-VWLOTQADSA-N 441.527 5.337 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1ccccc1C 1862638945 NMULNFGFCQJKEO-QFIPXVFZSA-N 425.500 5.301 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C(C)C)cc3)[C@@H]2c2ccccc2)cc1 1862662049 ZRGFGYRCDDWAJA-SANMLTNESA-N 439.555 5.939 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc(Br)c1 1862681323 XTAJQALVZHNKKM-LJQANCHMSA-N 446.316 5.213 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2c(Cl)cccc2Cl)cc1 1862690233 KFXKQAVLTNALFC-HXUWFJFHSA-N 448.346 5.626 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862747645 UFSOHZOQNZWERT-GAJHUEQPSA-N 442.471 5.243 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862759997 CYUUAPASEJKCEV-VOJFVSQTSA-N 449.290 5.278 30 10 IKEE CCCOc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N([C@H]3CCCC[C@H]3C)C2=O)cc1 1863348604 JHWXQSCMWRKVEX-JPYJTQIMSA-N 443.547 5.118 30 10 IKEE CC(C)c1nc(Nc2ccc(C#N)cc2)cc(N2CCN([C@@H](C)c3cccs3)CC2)n1 1868242280 LXDZYFCTMCNUOC-SFHVURJKSA-N 432.597 5.160 30 10 IKEE C=CCN(CC=C)c1cc(N2C[C@H](C)Cc3c(C)ccc(C)c32)nc(-c2ccc(C)cc2)n1 1869167590 XQMXSRDMZGGTGR-OAQYLSRUSA-N 438.619 6.578 30 10 IKEE C=CCN(CC=C)c1cc(N2C[C@H](C)N(c3ccccc3)[C@@H](C)C2)nc(-c2ccccc2)n1 1869203580 KWCCNARMQDDOAN-GOTSBHOMSA-N 439.607 5.426 30 10 IKEE CCCCCCn1cc(OCC(C)C)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870260298 JNOQCWWRHZAONM-UHFFFAOYSA-N 441.641 5.948 30 10 IKEE Cc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCC(C)C)c(C)c1 1871254996 OWCAGQLXOMGWQD-UHFFFAOYSA-N 429.564 5.574 30 10 IKEE CCCCCCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1sccc1C)C3=O 1871349684 XYDHVRRTMWLJMO-STZFKDTASA-N 425.594 6.494 30 10 IKEE C[C@H](c1ccc2c(c1)CCCC2)N1COc2ccc3c(c2C1)O/C(=C\c1ccco1)C3=O 1871354570 UMBZZHKUAPMODG-YMKHCOABSA-N 427.500 5.688 30 10 IKEE CCc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3cccc(Cl)c3)C4)C2=O)cc1 1871355569 NICZTEHHDARDEO-MSXFZWOLSA-N 445.946 6.179 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3C)cc(C)c2C1=O 1871373603 ORXDWKNLCOXXDW-UUYOSTAYSA-N 429.428 5.355 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O)c1ccc([N+](=O)[O-])cc1Cl 1871374188 WPAXKHDJMYTHED-KACMKLLYSA-N 447.830 5.640 30 10 IKEE Cc1c(OC(=O)Cc2ccc(Cl)c(Cl)c2)ccc2c1O/C(=C\c1ccco1)C2=O 1871376947 MTTWIJAAZXUUHZ-ODLFYWEKSA-N 429.255 5.659 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(O[C@@H](C)C(=O)Nc3ccccc3C)ccc2C1=O 1871404403 LGZDNBLQNHWQHX-PDESAOGPSA-N 429.472 5.026 30 10 IKEE CC(C)OC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 1871406279 ZXEXAKWZYYRENJ-CFRMEGHHSA-N 432.447 5.586 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)o2)C3=O)c(C)c1 1871413194 BRCAJORDWRWZLK-VLZFXTDASA-N 431.488 5.535 30 10 IKEE CCCCCCCCCOc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O 1871429344 CPEFIGZQXLIKBF-UCQKPKSFSA-N 433.375 7.739 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(O[C@@H](C)C(=O)Nc4c(C)cccc4C)c3C)C2=O)o1 1871430976 OPSBKLHXEHUIBT-FPJJECCMSA-N 431.488 5.535 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccc(Cl)cc4)c3C)C2=O)c1 1871440805 IWCWPWOXJCRDAF-XKZIYDEJSA-N 433.891 5.591 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(C(C)C)cc2)[nH]c(N2CCC[C@@H](C)C2)n1 1871505133 RSNPAFXERDYXQP-OAQYLSRUSA-N 438.664 6.169 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1cccc(F)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1871973404 UPMWTRIVSYZQSJ-JOCHJYFZSA-N 446.588 5.125 30 10 IKEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccccc1 1872010914 DASQHHPEPGZEFZ-QHCPKHFHSA-N 442.625 5.214 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1ccccc1 1872428049 PCYRTEHRKOEJHD-QFIPXVFZSA-N 449.016 5.413 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(F)cc1 1872530365 WXZOMGVTYSLLNM-QHCPKHFHSA-N 446.588 5.207 30 10 IKEE COc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1OC 1872760219 JWTUNSUDTWBHKS-AKERNLMBSA-N 440.524 5.870 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4nc(C)c(C)nc4c3)n2)cc1 1872770012 GSOMSTVZAFWBRH-FQEVSTJZSA-N 442.544 5.649 30 10 IKEE CC(C)N1C[C@H](C(=O)[C@H](C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)CC1=O 1872779758 QTTSLXKYAIESGF-NQIIRXRSSA-N 445.544 5.036 30 10 IKEE Cc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1 1872780431 IDIZKYANCAIIQR-JOCHJYFZSA-N 432.589 6.388 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@@H](C#N)C(=O)c2ccc(F)c(F)c2F)n1 1872786053 CNYLTEIIHGXTSS-LBPRGKRZSA-N 436.842 5.688 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H](CC)CCCCC)=C(c2cccc(OC)c2)C1=O 1873046004 MANUBILTHDGYNJ-JOCHJYFZSA-N 442.644 6.084 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2[C@@H](C)CC)=C(c2ccc(Br)cc2)C1=O 1873177064 BASOOTACDUNIJV-HNNXBMFYSA-N 439.353 5.341 30 10 IKEE CCCCCN1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873275576 OADOADPUEJNXKA-UHFFFAOYSA-N 435.527 5.607 30 10 IKEE COc1ccc(/C=N/Nc2oc(-c3cccs3)nc2C#N)cc1OCc1ccccc1 1873462289 XNUWMLASLDDIGJ-AFUMVMLFSA-N 430.489 5.308 30 10 IKEE CCOc1cccc(/C=N/n2c(COc3cc(Cl)ccc3Cl)nnc2SC)c1 1874205880 YIDCDTUREKOGEO-SSDVNMTOSA-N 437.352 5.167 30 10 IKEE CCSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1cccc(F)c1 1874206193 OXJYOXYTPHFKGZ-LSHDLFTRSA-N 425.316 5.297 30 10 IKEE CCCOc1cccc(/C=N/n2c(CCCOc3ccc(CC)cc3)nnc2SC)c1 1874223339 GPXNEWRWPXRYAU-XIEYBQDHSA-N 438.597 5.245 30 10 IKEE CCCOc1cccc(/C=N/n2c(Cc3cccc4ccccc34)nnc2SCCC)c1 1874271169 IEKGQSKQVQAZNL-ZXVVBBHZSA-N 444.604 6.195 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1cccc2ccccc12 1874287810 YTRJRQVRSWVVBZ-ZXVVBBHZSA-N 432.637 7.056 30 10 IKEE COc1ccccc1CCc1nnc(SCc2ccccc2C)n1/N=C/c1ccco1 1874311486 LOFCHFRVXVOPAK-PCLIKHOPSA-N 432.549 5.148 30 10 IKEE CCCOc1ccc(/C=N/n2c(CCCOc3ccccc3)nnc2SCCC)cc1 1874317823 MRNMKWWIDUSLST-NCELDCMTSA-N 438.597 5.463 30 10 IKEE Fc1ccc(CSc2nnc(Cc3ccc(Cl)cc3)n2/N=C/c2cccnc2)cc1 1874336572 JGTFZOGOFFOVJG-VULFUBBASA-N 437.931 5.231 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCCc3ccccc3)nnc2[C@H](C)c2ccccc2)c1 1874400705 XRCWSFXVCSTBJG-QZCBGFPPSA-N 442.588 5.661 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(CCc3ccccc3)n2/N=C/c2cccs2)cc1 1874402063 GRIFJYAVATZVRI-HZHRSRAPSA-N 449.561 5.208 30 10 IKEE Cc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccccc2F)cc1 1874402841 LNALJOAOWCGDIL-WPWMEQJKSA-N 430.552 5.685 30 10 IKEE Fc1ccccc1/C=N/n1c(SCc2c(F)cccc2Cl)nnc1-c1ccccc1 1874429987 MTXVTVDEHJDMCH-LGJNPRDNSA-N 440.906 6.051 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1/N=C/c1ccccc1Cl 1874476168 FKGQUZYLEMSLKJ-ZVHZXABRSA-N 441.988 5.196 30 10 IKEE CCCCc1nnc(SCCc2ccccc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874478656 LAZINZRQQKCCPR-WGOQTCKBSA-N 432.515 5.857 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccccc1OC(C)C 1874487511 NVSUQJXZFIDCMO-AFUMVMLFSA-N 426.561 5.577 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccccc1C(=O)O 1874491238 GSVNIBLBEXMHKE-FSJBWODESA-N 428.945 5.003 30 10 IKEE CC(C)Cc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccccc1Cl 1874491647 CAIDEPFVDZLPMY-BHGWPJFGSA-N 437.371 6.097 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc2c(c1)OCCO2 1874508473 FPSRLRMLCURKGE-WGOQTCKBSA-N 444.560 5.330 30 10 IKEE C=CCSc1nnc(CCC)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874508629 NLHSACSQHLYQEJ-BUVRLJJBSA-N 426.973 5.623 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1c[nH]c2ccccc12 1874526156 RTQVSXYXKLOUQG-BHGWPJFGSA-N 430.364 5.803 30 10 IKEE CC(C)(C)c1nnc(S)n1/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 1874559539 XNFTWTRJBKJRJJ-WSDLNYQXSA-N 445.386 5.088 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2cc(C)cc(C)c2)cc1 1874575992 RKKJBCLSXTYQOY-UXBLZVDNSA-N 449.934 5.879 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(F)cc2F)c1OCc1ccccc1Cl 1874576417 MCKPWEJXZRBEEF-RMKNXTFCSA-N 449.280 6.755 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)c1 1874580895 LCJVKYHUEVNSEM-DHZHZOJOSA-N 443.326 6.486 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Cl)c1OCc1cccc(F)c1 1874612365 QMDOKEMQYPGYGQ-CMDGGOBGSA-N 431.290 6.616 30 10 IKEE C=C(C)COc1c(Br)cc(/C=C/C(=O)c2ccccc2)cc1Br 1874614269 BILUKUHADUMWQA-CMDGGOBGSA-N 436.143 6.063 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OCC(=O)NC1CCCCC1 1874614787 YWLLYESJZZVAMN-RIYZIHGNSA-N 441.955 5.463 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3ccc(C)cc3)c(OC)c2)c(C)c1C 1874626471 GWORMUQFRKBMAS-ACCUITESSA-N 446.543 6.113 30 10 IKEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1Cl 1874635140 GMKKVLHTODWHMF-DHZHZOJOSA-N 428.956 6.174 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc4ccccc4c3)c2)c1 1874692780 XAXPKUMTBKTEMS-JLHYYAGUSA-N 438.479 5.972 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2)cc1OC(=O)c1[nH]c2ccc(C)cc2c1C 1874700140 DBBKSBADDLGIPJ-JLHYYAGUSA-N 425.484 5.909 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OC(=O)c1ccc(OC(C)=O)cc1 1874702821 LNHFVIDIDVINOC-MKMNVTDBSA-N 430.456 5.044 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)Cc3cccc4ccccc34)c2)c(C)c1 1874716168 FCRRIULWQIPMRT-CCEZHUSRSA-N 434.535 6.809 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(Cl)cc1 1875094847 LNSFFWFXPYTMGA-VZUCSPMQSA-N 437.835 5.372 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3c(C)cccc3C)c(Cl)c2)cc1 1875100215 UBRPYAOLJHNQGL-GXDHUFHOSA-N 448.946 6.400 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])c(OC)c2)cc1 1875101379 MYPRIXICDZCOPF-GXDHUFHOSA-N 431.444 5.281 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC(=O)CCc1ccccc1 1875122656 SWCYQRMHHZMRIM-MDWZMJQESA-N 436.454 5.798 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1ccccc1OC 1875163821 FEUCQRHTMFVJLN-XYOKQWHBSA-N 438.426 5.487 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1Cl 1875167041 LRKBYDHYXMWUAP-JLHYYAGUSA-N 428.956 6.737 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3c(C)cccc3C)cc2)cc1C 1875176146 YHXUYLWGRXFCJL-GHRIWEEISA-N 442.555 6.581 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)C2CCCC2)c([N+](=O)[O-])c1 1875181236 VRKNUSVZNIJGNV-VQHVLOKHSA-N 443.883 5.557 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@]2(C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)C1 1918265113 RQYXQQDIIHSSPW-JWQCQUIFSA-N 447.620 5.630 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C)NCCC 1922056050 WJWMUXOUXHLGGV-SDHOMARFSA-N 444.660 5.991 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@]1(CCC)CCN(C(=O)OC(C)(C)C)C1 1922068433 IORCYVGKOSGDRM-ZEQKJWHPSA-N 430.633 5.555 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@H](CCc1ccccc1)NC(=O)OC(C)(C)C 1922075983 AXRPYDPDMTVXGV-JWQCQUIFSA-N 438.612 5.264 30 10 IKEE CCC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 1945774737 WHQAFCVLMXVVKA-LPHOPBHVSA-N 435.540 5.400 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1949112963 SPWSGWDHZHVNFJ-PMAPCBKXSA-N 447.963 5.373 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@]1(C#N)CCCC[C@H]1OCc1ccccc1 1977479035 FYBBBPIECOFECD-QPPBQGQZSA-N 426.582 5.907 30 10 IKEE CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2014634279 FOEQNVUPKXKIBU-NTKDMRAZSA-N 435.609 5.484 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1nc(Cl)cs1 2020255745 XHESZGUPPGHLRK-LBPRGKRZSA-N 428.739 5.565 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@](C#N)(N(C(=O)OC(C)(C)C)C3CCCCC3)CC[C@@H]21 2027455718 CXDXNRQMWRHHJK-AOUJKTHWSA-N 447.620 5.628 30 10 IKEE CC1(C)CC[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)[C@@H](OCc2ccccc2)C1 2043779277 CDEBADPXLGASNO-RDPSFJRHSA-N 441.576 5.982 30 10 IKEE C=CCC1([C@H](NC)c2ccc(Cl)cc2Br)CN(C(=O)OC(C)(C)C)C1 2077806328 RAUVRWRCPUZUME-MRXNPFEDSA-N 429.786 5.176 30 10 IKEE Cc1ccc([C@H](n2nc(C3CC3)c(/C=N/O)c2I)C(C)(C)C)cc1 2079004830 VAPHLXNJGUZKFL-RYFGYPJOSA-N 437.325 5.117 30 10 IKEE CC(C)c1nn([C@@H](C)c2ccc(C3CCC3)cc2)c(I)c1C=NO 2079936355 LKLVZQCHFCXDJE-ZDUSSCGKSA-N 437.325 5.296 30 10 IKEE CCCOc1ccc([C@@H](n2nc(C3CC3)c(C=NO)c2Br)C(C)(C)C)cc1 2080061487 NHKABMASDBGJAI-LJQANCHMSA-N 434.378 5.755 30 10 IKEE Fc1cc(C(F)(F)F)ccc1-c1c(C(F)(F)F)nn2c(Cl)c3c(nc12)CSC3 2081280156 QSSXRWZONOYFII-UHFFFAOYSA-N 441.759 5.973 30 10 IKEE CCCCC#CC[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NC 2083434378 RCPUQZZAYQLSDT-XMMPIXPASA-N 441.660 5.108 30 10 IKEE N#Cc1cc(Br)ccc1NCc1cc(Br)ccc1Br 2088093644 UZHQGZJFHBBXOR-UHFFFAOYSA-N 444.952 5.458 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(Br)ccc(Cl)c1F 2102880899 UXQYTPQEESZRFD-YOEHRIQHSA-N 447.776 5.199 30 10 IKEE Cc1cccc(C(=O)N2CCC[C@H](B3OC(C)(C)C(C)(C)O3)C2)c1NC(=O)OC(C)(C)C 2124534180 HQMSPUYKCKTZME-KRWDZBQOSA-N 444.381 5.040 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](N)Cc2cc(Cl)c(C)c(Br)c2)C1 2126684704 JXUGQXWKSHGIHC-QGZVFWFLSA-N 443.813 5.142 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1ccc2c(c1)CCC2 2152737549 HBSFYSMUVLUWOZ-HXUWFJFHSA-N 427.342 5.944 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1OCc1cccc(Cl)c1Br 2197477747 ZYDQEQPSLISXEZ-UHFFFAOYSA-N 437.570 5.289 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2ccc(C#N)cc2Br)C[C@@H]2CCCC[C@@H]21 2240957470 JCOAXYAIIWYEEA-BXWFABGCSA-N 434.378 5.301 30 10 IKEE CC(C)(C)CN(Cc1ccccc1)C(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2255645886 KJPCDQKZEGKWRB-UHFFFAOYSA-N 441.808 5.328 30 10 IKEE C=CCCC1([C@@H](NC)c2cc(C)c(Br)c(C)c2)CN(C(=O)OC(C)(C)C)C1 2281057215 ZFOMSABMOPGGEM-IBGZPJMESA-N 437.422 5.530 30 10 IKEE C=CCN1C(=O)C(=Cc2cc(OC)c(OC(C)C)cc2Cl)N(c2ccccc2)C1=S 2297505110 HYWBRNUFGZTPBS-UHFFFAOYSA-N 442.968 5.296 30 10 IKEE CC[C@@]1(C)N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2315231261 LBQXJYCWLBNOAN-DNQXCXABSA-N 447.551 5.639 30 10 IKEE Clc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CC2)cc1Cl 2320858336 LPISMYNTFBUUDH-UHFFFAOYSA-N 437.783 6.290 30 10 IKEE CC(C)(C)Cc1nnc(S)n1N=Cc1ccccc1OCc1ccc(Cl)cc1Cl 2321937224 BNSXZQBTNCRZFQ-UHFFFAOYSA-N 449.407 5.923 30 10 IKEE COc1ccc([C@@H](C)N2COc3ccc4c(c3C2)OC(=Cc2ccc(C)cc2)C4=O)cc1 2322239880 QUMOTJMMECJDGG-GOSISDBHSA-N 427.500 5.533 30 10 IKEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1ccc2ccccc2c1)NC1CCCCC1 2322326380 FONYNDUVRFJVBS-UHFFFAOYSA-N 447.962 6.217 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccccc1Cl)C3=O)CN(CCOc1ccccc1)CO2 2322339169 PUNJVAHGQXDCMB-UHFFFAOYSA-N 447.918 5.496 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2cc(C)cc(C)c2)cc1C 2322408270 FUVCDEHXGMLRAU-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1ccccc1Cl)Nc1nccs1 2322436868 UHILHWULMXQTAS-UHFFFAOYSA-N 433.316 5.364 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(Cl)cc2)c1OCc1ccccc1C 2322532116 KNDKKYZJVBDIRE-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE Cc1cc(OC(=O)c2ccc(C(C)(C)C)cc2)cc2c1C(=O)C(=Cc1ccccc1Cl)O2 2322736768 UNKONCZKBHDWDA-UHFFFAOYSA-N 446.930 6.781 30 10 IKEE COC(=O)c1ccc(COc2ccccc2C=CC(=O)c2cc(C)c(Cl)cc2OC)o1 2322922783 YDMURVQHQNPEKG-UHFFFAOYSA-N 440.879 5.512 30 10 IKEE C=C(C)COc1ccc(Br)cc1C=CC(=O)c1cc(Cl)cc(C)c1OC 2322927185 YINDEOTUETXZDS-UHFFFAOYSA-N 435.745 6.271 30 10 IKEE CCCOc1ccc(Br)cc1C=CC(=O)c1ccc(OC)c(OC)c1OC 2323032411 KSSPHTNZRAQEME-UHFFFAOYSA-N 435.314 5.160 30 10 IKEE Cc1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1 2323063554 GELONDMRRUBXSE-UHFFFAOYSA-N 438.523 6.662 30 10 IKEE COc1ccccc1C=C1Oc2cc(OC(=O)CCc3ccc(C)cc3)cc(C)c2C1=O 2323081287 JNIQGUCBWJBEBE-UHFFFAOYSA-N 428.484 5.466 30 10 IKEE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1 2323631053 NNUBZWNTORGFFG-UHFFFAOYSA-N 432.447 5.696 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2OCC)C3=O)c1 2323802820 RMTYNRDFVKFTAI-UHFFFAOYSA-N 444.483 5.628 30 10 IKEE Cc1cc(O)c(CN2CCC(Cc3ccccc3)CC2)c2c1C(=O)C(=Cc1ccccc1)O2 2324029845 HAJJHCFEBBKOTR-UHFFFAOYSA-N 439.555 5.772 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(Cl)c2)cc(OC)c1OCc1ccccc1 2324623791 QYBLEHRWHZOARI-UHFFFAOYSA-N 448.946 6.561 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1C 2324627981 JCDFDEQBEFVRDS-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE O=[N+]([O-])c1ccccc1C=Nn1c(Cc2ccccc2)nnc1SCc1ccc(F)cc1 2325471185 CALLJXIXLHCZNO-UHFFFAOYSA-N 447.495 5.091 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(C(C)(C)C)cc2)ccc2c1OC(=Cc1ccccc1)C2=O 2325552524 HKVWSIIYXVHSRD-UHFFFAOYSA-N 441.527 5.926 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4nc5ccccc5s4)cc(C)c3C2=O)o1 2325592593 HDAOIECPPNZDAU-UHFFFAOYSA-N 446.484 5.140 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1 2325614007 MVOJWTJOVIDSGV-KRWDZBQOSA-N 445.490 5.973 30 10 IKEE CCOc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(CC)cc2)C3=O)cc1 2325705037 INONBALDVOOHES-UHFFFAOYSA-N 443.499 5.281 30 10 IKEE CCCOc1ccc(C=CC(=O)C(=O)NC2CCCCCCCCCCC2)cc1OC 2325717106 WPIIUGKCJSDCCA-UHFFFAOYSA-N 429.601 5.856 30 10 IKEE O=C(C=Cc1cccc(OC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)c1)c1ccc(Cl)cc1 2325730913 QXAXFCNPSLAFLQ-FCHUYYIVSA-N 437.322 6.599 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OC(=O)c1ccc([N+](=O)[O-])cc1 2325735233 RDUDNFZOFGCXQU-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OC(=O)c2[nH]c3ccc(C)cc3c2C)c1 2325743558 GAGLPJIVOQBRIV-UHFFFAOYSA-N 439.511 6.217 30 10 IKEE C=CCSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1ccc(CC)cc1 2325913607 BSYSANPLXSKXPS-UHFFFAOYSA-N 447.391 5.887 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(OC(C)(C)C)cc1 2326356935 RLWFITDYYNWCND-UHFFFAOYSA-N 428.989 5.846 30 10 IKEE Cc1nnc(SCc2ccc(Br)cc2)n1N=Cc1cn(C)c2ccccc12 2326618117 JTUSTSIWPMLCAF-UHFFFAOYSA-N 440.370 5.015 30 10 IKEE Cc1ccc(C)c(OCc2nnc(SCc3ccccc3)n2N=Cc2ccncc2)c1C 2327272844 MVQOPTUMPSXBSE-UHFFFAOYSA-N 443.576 5.352 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccccc3)n2N=Cc2cccs2)CC1 2328158128 HFIDFVDMBMNYAK-UHFFFAOYSA-N 438.666 6.978 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1ccc([N+](=O)[O-])cc1 2328179567 CLMWCJMLJUNZBO-UHFFFAOYSA-N 427.574 5.811 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2OC)n1N=Cc1ccccc1Cl 2328275955 LCWBFTOKDKLTMI-UHFFFAOYSA-N 428.945 5.070 30 10 IKEE COc1cccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2)c1 2329837223 GYBJKMVARHZPOK-UHFFFAOYSA-N 432.524 5.191 30 10 IKEE Cc1ccsc1C=Nn1c(Cc2ccc(F)cc2)nnc1SCc1ccccc1F 2329837463 YUDIFEPBWPEWNS-UHFFFAOYSA-N 440.544 5.692 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(-c2cccs2)n1N=Cc1cccnc1 2330620501 TVXCLUNIMPLRBF-UHFFFAOYSA-N 429.933 5.369 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1cnc(C)cn1 2330671163 DEOQKSGEHXPGKZ-UHFFFAOYSA-N 438.483 5.452 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OC(=O)c1ccncc1 2330681477 XGHCCOJFOXWUMV-UHFFFAOYSA-N 443.499 5.093 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3)c([N+](=O)[O-])c2)c1 2330785923 TVWCEULFODEWNT-UHFFFAOYSA-N 431.444 5.038 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)c3ccccc3)c([N+](=O)[O-])c2)c1 2330786108 MORURVMOSPFRSQ-KRWDZBQOSA-N 431.444 5.209 30 10 IKEE CCCCC(=O)Oc1c(OC)cc(C=CC(=O)c2ccc(Br)cc2)cc1OC 2330886094 PAQYZWFUQPGIMX-UHFFFAOYSA-N 447.325 5.458 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Cl)c(OC(=O)c2sccc2C)c(OC)c1 2331049715 KQIVDDSGHMRCFN-UHFFFAOYSA-N 442.920 5.842 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1Cl)c1ccc2c(c1)OCO2 2331092513 MHZVFBLSSNOVKC-UHFFFAOYSA-N 442.801 5.462 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1 2331138364 VZPBLUAAAAPEKL-UHFFFAOYSA-N 426.899 6.537 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC(=O)Cc1cccs1 2331152707 BMJHNQVTNYRIKN-UHFFFAOYSA-N 426.921 5.844 30 10 IKEE CCCCCCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3)cc2)cc1 2331259526 RIHWCXMHMVGAJG-UHFFFAOYSA-N 442.555 7.069 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 2331349399 PPHDKUZUXLGXIZ-UHFFFAOYSA-N 449.434 5.475 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2cc(C)ccc2C)nnc1C(C)(C)C 2331396594 SXOPBLGQHFTZFS-UHFFFAOYSA-N 436.625 6.156 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cc(C)ccc3C)c(OC)c2)cc1F 2331467458 UKJOSOAFDRLMGL-UHFFFAOYSA-N 448.490 5.504 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2C2CCC2)cc1OC 2331501082 MLVPSRVMNJXUIE-UHFFFAOYSA-N 440.544 5.267 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3c(C)cc(C)cc3C)cc2)cc1 2331762835 VHVICONRUHECCL-UHFFFAOYSA-N 442.555 6.445 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2ccc(OC(=O)c3ccncc3)cc2)cc1Cl 2331804825 OTDHJIGOWCHUJZ-UHFFFAOYSA-N 428.271 5.512 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3cncc(C)c3)c(Cl)c2)cc1C 2331847449 BXXQURHABOGNHR-UHFFFAOYSA-N 435.907 5.784 30 10 IKEE CCCCCCCCCOc1cc(NC(=O)OC(C)(C)C)c(C)cc1Br 2344302574 KODIOEVHMSNYKA-UHFFFAOYSA-N 428.411 7.234 30 10 IKEE CC1(C)OB(C=Cc2ccc(N[C@@H]3C[C@@H]4C[C@@H](OCc5ccccc5)C[C@@H]43)nc2)OC1(C)C 2365054666 XFXYPNYSXUYUEV-UARRHKHWSA-N 446.400 5.522 30 10 IKEE C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(NC=C2C(=O)CC(C)(C)CC2=O)cc1 20119043 AMUYVJPJYTVOPY-HNNXBMFYSA-N 440.927 5.000 30 10 IKEE CC(C)COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccco2)cc1 20882245 RADVMUWFAJGTMW-UZTOHYMASA-N 428.532 6.294 30 10 IKEE COc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(Cl)c(Cl)c2)C3)c(OC)c1 20882808 MMJDZMSTIUXNHY-CZUORRHYSA-N 446.330 5.015 30 10 IKEE CCCOc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(OCC(C)C)cc1)C2 21252042 XVWJTRFOVYVIQB-NFBKMPQASA-N 447.575 5.515 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2ccco2)cc1 33378900 QCGHQIJGFFROCT-HSZRJFAPSA-N 427.456 5.367 30 10 IKEE O=C(/C=C/c1ccco1)Nc1cccc(C(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)c1 39850977 MLUNSYAIOXQYNN-WZDZGYJVSA-N 443.886 6.741 30 10 IKEE O=C1/C(=C/c2cccc(Cl)c2)S/C(=N/c2cccnc2Cl)N1C1CCCCC1 39864134 QMXHCVAWFCUREF-OQJKFJKISA-N 432.376 6.325 30 10 IKEE C=CCN1C(=O)c2[nH]nc(-c3cc(C)cc(C)c3O)c2[C@H]1c1cccc(OCCCC)c1 39912126 DKADHZBQJBWRFL-XMMPIXPASA-N 431.536 5.309 30 10 IKEE Cc1ccc(CN2COc3cc(C)c4c(c3C2)O/C(=C\c2ccc3c(c2)OCO3)C4=O)cc1 41650094 PVYFIGHTMONKKN-MYKKPKGFSA-N 441.483 5.000 30 10 IKEE Cc1ccc([C@H]2C3=C(CCCC3=O)Nc3c(C(=O)Nc4ccc(Cl)cc4)cnn32)cc1 64874083 XQSGFJVHESHMTG-QFIPXVFZSA-N 432.911 5.119 30 10 IKEE CCCCN(CCCC)C[C@H](O)Cn1cc(/C=C\C(=O)c2cccs2)c2ccccc21 96498770 DPWWHDCODBZROS-MBWOQUJGSA-N 438.637 5.862 30 10 IKEE CN1C(=O)C[C@H](C(=O)Nc2ccccc2Cl)S/C1=N\c1cc(Cl)cc(Cl)c1 100263010 IRZMROUNKLKNKJ-VGLIXDPASA-N 442.755 5.237 30 10 IKEE CCCCCCCCCn1c(CCCNC(=O)c2ccc(OC)cc2)nc2ccccc21 102154222 FXLPIHDRPQJYND-UHFFFAOYSA-N 435.612 6.158 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2cccc(F)c2)c1 169928878 HWISUJVCRDIYNV-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccc(O)cc1)c1ccc(Cl)cc1 169958562 ZHMBIFMEJSXAIJ-HXUWFJFHSA-N 441.817 5.107 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(OCC)cc2)=C(N2C[C@H](C)C[C@@H](C)C2)C1=O 169993759 APDNSMOXGNEOMO-NHCUHLMSSA-N 440.628 5.504 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2c2ccccc2)cc1 170028645 YYXKAUBOUHIWSF-XMMPIXPASA-N 443.499 5.185 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(OC)cc2)=C(N(C)Cc2ccccc2)C1=O 170030508 ZLBFLGCACGSOQF-UHFFFAOYSA-N 434.580 5.268 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(O)c(Cl)c1)c1cccc(Cl)c1 170040833 LLIVOIQMTZCPDL-FQEVSTJZSA-N 440.282 5.482 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)c1 170060669 PLHJWVFTSKYDKN-NRFANRHFSA-N 437.854 5.271 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2Cc2ccco2)cc1 170067104 IRYUQCFYWBMMEB-QFIPXVFZSA-N 446.459 5.090 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2c[nH]c3ccccc23)c1 170073706 RYFHUAYOWGWRSB-HSZRJFAPSA-N 442.446 5.099 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(N(C)C)cc1 170129595 ZDUMCNXMHVKYGU-NRFANRHFSA-N 426.944 5.175 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccccc1OC(C)C 170150981 IDDNPICNNJTMOP-HSZRJFAPSA-N 437.536 5.169 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@@H]1c1ccccc1OC(C)C 170151212 SZZQTVOPCKWBAR-NRFANRHFSA-N 443.927 5.124 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccn2)cc1C(C)C 170176222 IFYLCHKLZHHUPR-XMMPIXPASA-N 442.515 5.305 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2)cc1 170223477 RFAKUBKOAIPMNR-DEOSSOPVSA-N 445.490 5.643 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccccc1 170226581 MSGGSVLRKRVTEK-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2)ccc1OC(C)C 170231538 UGLRYQSKKDKDQG-DEOSSOPVSA-N 433.548 5.693 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccccc1 170232995 ZEGGJSOSYFTYSN-LJQANCHMSA-N 428.326 5.218 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)c(Cl)c2)=C(O)C(=O)N1c1ccccc1 170272165 MIEGEENIEWVVKA-OAQYLSRUSA-N 438.310 6.085 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@H]1c1ccccc1C 170277362 MUZFGTHXIJVABF-OAQYLSRUSA-N 427.928 5.426 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@H]1c1ccc(C)o1 170299958 XLUWPGFZCNDWOM-QHCPKHFHSA-N 445.515 5.613 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cc4cc(Cl)ccc4o3)=C(O)C(=O)N2C2CCCCC2)o1 170308351 GTSWNWUKTLANOX-OAQYLSRUSA-N 439.895 5.899 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2sccc2C)cc1C 170315581 FUXZMJIMOOHIPM-QFIPXVFZSA-N 447.556 5.855 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2sccc2C)c1 170317426 QNGZVVWHYXVFNO-FQEVSTJZSA-N 425.550 5.366 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2sccc2C)ccc1Cl 170319556 GTGDINPFTIPWMC-IBGZPJMESA-N 445.968 5.630 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc(OCCC)c1 170323358 BPUUJKBYJPZIJW-VWLOTQADSA-N 443.543 6.007 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cn(C)c3ccccc23)cc1C 170395309 XAMNYNISIIZLDT-RUZDIDTESA-N 436.511 5.578 30 10 IKEE CC(=O)Oc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(C)cc(C)c2)cc1 170406744 SNWRRWAQWNEJRN-XMMPIXPASA-N 441.483 5.012 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1c[nH]c2ccccc12)c1cccs1 170423274 UKERMPUIMRNULB-JOCHJYFZSA-N 446.503 5.190 30 10 IKEE COc1cccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)c1 170430992 AGUPORYLTZGURZ-GOSISDBHSA-N 433.426 5.229 30 10 IKEE Cc1ccc(N=Cc2ccc(OCc3ccccc3)cc2)cc1I 252462487 SQECGMGRURQSPK-UHFFFAOYSA-N 427.285 5.929 30 10 IKEE Oc1ccc(N=C/C=C/c2ccc(Cl)cc2Cl)cc1-c1nc2ccccc2s1 254406656 FSCVJISZUKFERC-BLHKWVJFSA-N 425.340 7.391 30 10 IKEE CC(=NOCc1ccccc1F)c1cc(-c2ccc(F)cc2)n(-c2cccc(C)c2)c1C 254488507 VTIODPHLUKWRFN-UHFFFAOYSA-N 430.498 6.980 30 10 IKEE COc1ccc2nc(/C=C\c3ccccc3)cc(NN=Cc3c(O)ccc4ccccc34)c2c1 254560658 ZSJJEMZWZZGXEN-XKSJKNKUSA-N 445.522 6.719 30 10 IKEE CCCCN1C(=O)/C(=C2\Sc3ccccc3N2CC)SC1=Nc1cc(C)ccc1C 254751785 OEGIXPLFORDYJK-CSFSZXLXSA-N 437.634 6.468 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(C)c(Br)c1)NCCC 407919774 BFBSYTBMGIKQHG-OALUTQOASA-N 425.411 5.138 30 10 IKEE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2sccc2C)c1 526607319 PFUZBHAZIZXESE-OAQYLSRUSA-N 432.501 5.003 30 10 IKEE Cn1cc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccccc2)c2ccccc21 526800151 ODNLYMNOWYVILS-PKAZHMFMSA-N 437.572 5.535 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1/N=C\c1cc(Cl)c(O)c(Cl)c1 526803223 SMCQBGSJYFNJPG-RMORIDSASA-N 439.343 5.557 30 10 IKEE CCCCOc1cccc(/C=N\n2c(CCC)nnc2SCc2cc(C)cc(C)c2)c1 526809686 RFGFPRCMFFNMDV-ONUIUJJFSA-N 436.625 6.201 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1c(F)cccc1Cl 526815254 VOVJBPWYGVIPKA-AQHIEDMUSA-N 443.762 6.114 30 10 IKEE Fc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccccc2Cl)cc1 526816644 HGYWHZCWOOKNGN-YSMPRRRNSA-N 436.943 5.836 30 10 IKEE COc1ccccc1/C=N\n1c(CCc2ccccc2)nnc1SCc1cccc(F)c1 526825903 OSRBSBVQYFBHMD-PKAZHMFMSA-N 446.551 5.386 30 10 IKEE N#Cc1cc(Br)cc(Nc2cc(Cl)ccc2I)c1 690211521 FRQOUOYMAWTDQC-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE CN(C(=O)OC(C)(C)C)C(C)(C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 698889540 DGYWTVMSASSNLO-QGZVFWFLSA-N 437.968 5.619 30 10 IKEE CCCc1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2cc(C)ccc2C)cc1 726569491 AWILKANJNLBQGK-UHFFFAOYSA-O 446.596 5.050 30 10 IKEE Cc1ccc(N2/C(=N/CC(=O)c3ccccc3)S[CH][C@@H]2c2ccc([N+](=O)[O-])cc2)c(C)c1 1614418746 JVIIOEVBSFWFBL-KFLFGZTGSA-N 444.536 5.907 30 10 IKEE Cc1c(N=Nc2cc(Cl)ccc2Cl)c(O)n([C@@H](C)c2ccccc2)c(=O)c1C#N 1772740156 CFCBDGVLDWNJMA-ZDUSSCGKSA-N 427.291 6.066 30 10 IKEE Cn1cccc1/C=C1\SC(=Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C1=O 1772742867 DUYSCDJGEZLWET-YNUQAMOLSA-N 428.344 6.141 30 10 IKEE O=C1/C(=C/C=C\c2ccccc2)SC(=NN=C/C=C\c2ccccc2)N1Cc1ccco1 1772758716 CBOKNSSSMLRPNE-GPKIVNOMSA-N 439.540 6.008 30 10 IKEE Cc1ccc(CCC(=O)Nc2cccc3c(OC(=O)Nc4cccc(C#N)c4)cccc23)cc1 1858775158 PNXUODPXQYRDCM-UHFFFAOYSA-N 449.510 6.202 30 10 IKEE N#Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)n(Cc3ccccc3)n2)cc1 1859407084 NJVKYGFCGLLKGK-UHFFFAOYSA-N 447.325 6.029 30 10 IKEE COc1c(Cl)cc(-c2nc3ccc(C(=O)Nc4ccc(C#N)cc4)cc3[nH]2)cc1Cl 1859443616 PRWGTJSIWKIMAL-UHFFFAOYSA-N 437.286 5.669 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2c(F)cccc2Cl)cc1 1862398090 VIZALNAFOZFTHY-IVZQSRNASA-N 443.946 6.199 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2cccc(OCCC)c2)cc1 1862398312 SYWMWZAYQLUUTL-DEOSSOPVSA-N 435.564 5.806 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862445489 WYGWQPSGMKNPNR-QHCPKHFHSA-N 449.909 5.820 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2cccc(Cl)c2)cc1 1862476242 GKLHNDAIRXNZSN-NRFANRHFSA-N 437.948 5.531 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCCCCC2)c1 1862476826 PCSYJDXAMRFKHN-XMMPIXPASA-N 433.548 5.695 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccc(F)cc2)c1 1862490040 MMPNDEZYWNNPQV-HOYKHHGWSA-N 429.491 5.782 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2ccc(F)cc2)ccc1F 1862501370 BDWIFXUFJTZLTP-NRFANRHFSA-N 439.483 5.156 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccccc1C 1862507759 SUANJBBFOFQULH-HYBUGGRVSA-N 437.555 6.380 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2cccc(F)c2)cc1 1862517903 XRUJBQMTSMRQDG-XMMPIXPASA-N 445.490 5.393 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc(O)cc1)c1ccc2c(c1)CCCC2 1862544349 BFPHCWMKPCASLD-VWLOTQADSA-N 439.511 5.050 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1cccc(OCC)c1 1862619141 OJMARKWUVAVTMF-QHCPKHFHSA-N 435.564 5.761 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCCc2ccccc2)[C@H]1c1ccc(O)cc1)c1ccc(F)cc1 1862673088 BWYWKFRZEARMQY-DEOSSOPVSA-N 445.490 5.133 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc2ccccc12 1862692977 VXSQZXBPSWHBBQ-VWLOTQADSA-N 443.543 6.007 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCCCO)[C@@H]1c1cccc(Cl)c1)c1ccc2ccccc2c1 1862712544 TYWMORDGVUBTPJ-HSZRJFAPSA-N 449.934 5.234 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc(O)c1 1862713564 QZMGUQCEQMJYKN-WQWSHVPRSA-N 441.527 5.702 30 10 IKEE N#Cc1cccc(NC2=C(c3cccc4ccccc34)C(=O)N(c3cccc(F)c3)C2=O)c1 1862840186 BCAZHAYNGROLTE-UHFFFAOYSA-N 433.442 5.247 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(NC(C)=O)cc2)=C(c2cccs2)C1=O 1863472393 AKXNQUWCUYXYEG-UHFFFAOYSA-N 439.581 5.259 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N(CC)[C@H]1CCS(=O)(=O)C1 1866342399 KOBMSJVZWXDPOX-QHCPKHFHSA-N 429.711 6.284 30 10 IKEE C=CCOc1cn(Cc2ccco2)c(CNc2ccc(OCc3ccccc3)cc2)cc1=O 1870811066 GANKNLCMTJCVAG-UHFFFAOYSA-N 442.515 5.246 30 10 IKEE CCCCCCCCn1cc(OCC(C)C)c(=O)cc1CNc1ccc2c(c1)OCO2 1870857909 LONHALMQDVBRLB-UHFFFAOYSA-N 428.573 5.584 30 10 IKEE C#CCOc1cn(Cc2ccc(F)cc2)c(CNc2cc(C(C)C)cc(C(C)C)c2)cc1=O 1871006399 DKPJQPVPQACOOH-UHFFFAOYSA-N 446.566 5.907 30 10 IKEE Cc1cc(OC(=O)c2ccc(Cl)c(Cl)c2)cc2c1C(=O)/C(=C/c1ccccc1)O2 1871372503 VWPPZGGILGBRLX-JMIUGGIZSA-N 425.267 6.137 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCCCCOc4cccc(C)c4)cc(C)c3C2=O)cc1 1871403458 MUVBBWOQRJMZTG-ONUIUJJFSA-N 444.527 6.166 30 10 IKEE COc1ccc(OCCCOc2ccc3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)cc1 1871415807 UFKOGUPFHFAOGO-IWIPYMOSSA-N 447.443 5.068 30 10 IKEE CCn1cc(/C=C2\Oc3c(ccc(OCC(=O)C(C)(C)C)c3C)C2=O)c2cc(OC)ccc21 1871419250 HAPJLQLJZGFAGR-FMCGGJTJSA-N 447.531 5.588 30 10 IKEE CCCCCCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccccc1OCC)C2=O 1871422102 SQULNJPQIRJTES-HAHDFKILSA-N 438.520 5.512 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(Nc3ccccc3)cc2)[nH]c(N(C)C)n1 1871605887 CYESLPDQIKHQIJ-UHFFFAOYSA-N 433.604 5.619 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)n2)cc1F 1872775300 NCNMMUWEJRHENM-DNVCBOLYSA-N 438.524 5.725 30 10 IKEE COc1ccc(Cl)cc1C(=O)[C@@H](C#N)c1nc(-c2cc(C)cc(C)c2OC)cs1 1872780951 NTFOMPPZHCAHOQ-QGZVFWFLSA-N 426.925 5.588 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)C(Cl)(Cl)Cl)n2)c2ccccc12 1872788700 ONCOLBGGHTVXBP-CYBMUJFWSA-N 425.724 5.518 30 10 IKEE CCCOc1ccc(/C=N/n2c(CCC)nnc2SCc2ccccc2)cc1OCC 1873500745 BHHIWHDSTFEIKG-KOEQRZSOSA-N 438.597 5.593 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(Cl)cc1C)n2CC 1873619995 QSEPLXBQOFZVOA-UHFFFAOYSA-N 442.007 6.438 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(F)c(F)c2)cc2c(NCCC3=CCCCC3)ncnc21 1873639109 GVBDZDSUUVGSMM-UHFFFAOYSA-N 437.494 5.450 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccc(OC)cc1 1874214678 ZMBNCMSQMUFADL-LFVJCYFKSA-N 442.972 5.112 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc(OC)c2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874310070 CSEBWWILRMHSNA-WPWMEQJKSA-N 448.636 5.920 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2Cl)n1/N=C/c1cccc(O)c1 1874400171 KGBUJRXCJSFYEV-CIRUFVMISA-N 448.979 5.963 30 10 IKEE C(=N/n1c(Cc2ccccc2)nnc1SCCc1ccccc1)\c1c[nH]c2ccccc12 1874417014 UCNFJADDICRHAX-TURZUDJPSA-N 437.572 5.567 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccccc3)n2/N=C/c2ccc(C(C)C)cc2)c1 1874426649 RSKVINUOYOTMBC-WPWMEQJKSA-N 426.589 6.551 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(CC(C)(C)C)n2/N=C/c2cccc(C)c2)o1 1874438261 RPDAPSNDUJZAER-ZVHZXABRSA-N 440.569 5.119 30 10 IKEE CCSc1nnc([C@@H]2CCCO2)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874444802 LHYQTNUFPKALDW-PGLVWIQMSA-N 442.972 5.356 30 10 IKEE CSc1nnc(C2CCCC2)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874451888 TWPDSXPDBWMZNQ-ZVHZXABRSA-N 426.973 5.772 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccco3)n2/N=C/c2cccs2)cc1Cl 1874468706 VBHRZKSGNVFZFF-UFFVCSGVSA-N 435.361 6.081 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc(OC)cc1 1874479679 LZBBNBATCMJVCC-ZMOGYAJESA-N 449.407 6.111 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccccc1OC(C)C 1874479887 WZFSJSBMSJHWFF-MFKUBSTISA-N 443.016 6.236 30 10 IKEE C=C(C)CSc1nnc(C2CCC2)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874495469 MRESCSDVMFKEDT-MFKUBSTISA-N 432.549 5.315 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C2CCC2)cc1O 1874497405 IXJXCYZXRPKOBX-AUEPDCJTSA-N 449.363 5.438 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(C(C)(C)C)cc1 1874508654 OULVUPGWUIJLGF-MTDXEUNCSA-N 442.632 6.856 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1cc(C)ccc1O 1874508799 VZQNJCSIUVMGDZ-FOKLQQMPSA-N 435.380 5.726 30 10 IKEE COc1cc(/C=N/n2c(SCc3cccc(C)c3)nnc2C2CC2)cc(Cl)c1O 1874516403 VZPGPDOAXYNNSY-FOKLQQMPSA-N 428.945 5.006 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2c(OCc3cc(C)ccc3C)ccc3ccccc23)cc1 1874574185 ZIDGQOONYWVAKW-VHEBQXMUSA-N 448.606 8.274 30 10 IKEE COC(=O)c1ccc(COc2ccc3ccccc3c2/C=C/C(=O)c2ccccc2Cl)o1 1874574850 IYOWFINCZBSPGM-OUKQBFOZSA-N 446.886 6.348 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c1OCc1c(F)cccc1Cl 1874575433 NEPGNLKCKXHKBP-JLHYYAGUSA-N 441.842 5.871 30 10 IKEE CCCOc1ccc(Br)cc1/C=C/C(=O)c1cc(C(C)C)c(OC)cc1C 1874585031 JDOZNSRMYZLLFS-VQHVLOKHSA-N 431.370 6.574 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCc2ccc(Cl)cc2)c(OC)c1OC 1874592648 UXXRZMSBPZZCDA-GXDHUFHOSA-N 438.907 5.841 30 10 IKEE O=C(COc1cccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1)Nc1ccccc1F 1874601129 VSRUICWLONUEQP-DHZHZOJOSA-N 444.289 6.046 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1cccc([N+](=O)[O-])c1 1874601760 BLTBPPPBXZUPRO-IZZDOVSWSA-N 428.271 6.377 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 1874622142 NUOLBZBRKAXHDB-VIZOYTHASA-N 439.382 7.766 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OCc1ccccc1 1874622499 GMCALGNJUWYOKZ-QGOAFFKASA-N 440.583 7.196 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c([N+](=O)[O-])c2)cc1 1874624157 OOHKQYZWQBEZMC-WLRTZDKTSA-N 446.459 6.102 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OCCc1ccccc1 1874628883 AOYOZZKMGGNYNP-WYMLVPIESA-N 428.572 6.837 30 10 IKEE CCOc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(F)c(C)c3)c2)cc1 1874704016 SRLHKIXJSGWBBL-VGOFMYFVSA-N 434.463 5.413 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OC(=O)c1cccc2ccccc12 1874710122 UHHBLMIRFROYDZ-UKTHLTGXSA-N 444.433 6.242 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC(=O)c1cccc(F)c1 1875122453 OKMNGEAWSCDBCP-UXBLZVDNSA-N 426.390 5.618 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)Cc1ccc(C)cc1 1875142317 VNDAZCJSHLHCHA-UKTHLTGXSA-N 432.491 5.885 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1Cl 1875146058 BNDJDUVDUUADRK-JXMROGBWSA-N 428.912 5.883 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1OC(=O)CC(C)C 1875166380 YHLODYWWCDVRJF-CMDGGOBGSA-N 428.956 6.430 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3cccs3)c([N+](=O)[O-])c2)cc1C 1875188198 QFFPPSOTFFFLGI-SOFGYWHQSA-N 437.473 5.397 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC(C)(C)C 1922067507 BSPKRZJZXTXPKZ-PUHATCMVSA-N 448.648 5.225 30 10 IKEE C=CCC1(NCc2cc(Cl)ccc2Br)CCN(C(=O)OC(C)(C)C)CC1 1924543616 XJHRLSLKAHDXSR-UHFFFAOYSA-N 443.813 5.538 30 10 IKEE CC(C)(C)OC(=O)NCCN(CC(=O)C1=CC[C@@H](C(C)(C)C)CC1)Cc1ccccc1 2010728475 GEAHLMHPWXWALR-JOCHJYFZSA-N 428.617 5.355 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)[C@@H]1C1CC1 2014633895 PTCYXLZEVSQTTC-MBSDFSHPSA-N 447.601 5.167 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c1 2032042457 GJNREELXPQOTJE-KHOMTPLRSA-N 441.572 5.276 30 10 IKEE CCN[C@H](CC#CC1CCCCC1)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2035468092 HVUORYVKJMVFMJ-RPBOFIJWSA-N 442.644 5.439 30 10 IKEE CC(C)(C)OC(=O)N[C@]1(C(=O)C2=CC[C@@H](C(C)(C)C)CC2)CCN(Cc2ccccc2)C1 2061119217 NLTKCNCKOLMJOM-AJTFRIOCSA-N 440.628 5.498 30 10 IKEE C=CCCCCCCCCCC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2086262084 RXVLGAVIUSCCIK-RCZVLFRGSA-N 445.644 6.751 30 10 IKEE CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)Nc1ccc(C#N)c(Br)c1F 2106039161 MWYMSIOUKUULIP-LJQANCHMSA-N 428.346 5.201 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)c(Br)c1F)NCC 2110508247 AMXSPKJQVVFKCB-LSDHHAIUSA-N 449.792 5.232 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H](Nc2cc(Br)cc(F)c2C#N)C1(C)C 2138972808 LTIXCAYZXNGSFO-MRXNPFEDSA-N 426.330 5.050 30 10 IKEE CC(C)(C)OC(=O)N1CCc2cccc(Nc3ccc(C#N)cc3Br)c2C1 2162418211 OBWOCHMUEILLEJ-UHFFFAOYSA-N 428.330 5.358 30 10 IKEE N#Cc1c(F)cc(Br)cc1NCC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2163709846 YYKDTXIHDAQQQV-JLYLLQBASA-N 428.349 5.315 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CC[C@@H]2CCCN[C@H]2C1 2166985295 SSQNXCSZKJVAGN-UQASEVPWSA-N 434.378 5.005 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1sc(C)c(C)c1Br 2221817353 GGCJLYUWOYJAHO-GOEBONIOSA-N 431.440 5.638 30 10 IKEE O=C(OCc1ccccc1)N(CC(F)(F)F)[C@H](CO)c1cccc(C(F)(F)F)c1F 2235306012 PLCIGQSUXRSJFW-OAHLLOKOSA-N 439.327 5.079 30 10 IKEE CCCC#C[C@@H](NCCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237425650 VFKBXTPGUFJWJQ-WOJBJXKFSA-N 437.422 5.057 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)c1cc(Br)cc(C(C)(C)C)c1 2273000462 FDFDMWURZSXNID-ROUUACIJSA-N 426.395 5.640 30 10 IKEE CC(C)(C)C#C[C@@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2276877777 NQLAHDGBBGJMTO-AREMUKBSSA-N 443.587 5.911 30 10 IKEE C=CCCC1(C(=O)Cc2c(F)ccc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2280952741 JSNPQYIQGMLOAC-UHFFFAOYSA-N 444.316 5.042 30 10 IKEE CCN[C@H](C#CC1CCCCC1)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2289684538 OGDFJOMRWFDKPU-HXUWFJFHSA-N 435.406 6.030 30 10 IKEE C=CCc1cc(C=C2SC(=O)N(C(C)C)C2=O)cc(OC)c1OCc1ccccc1C#N 2293344031 PVCJOXXOGQHQPR-UHFFFAOYSA-N 448.544 5.319 30 10 IKEE C[C@H]1Oc2ccccc2C=C1C=C1Oc2cc(OC(=O)c3ccc(F)cc3)ccc2C1=O 2296362850 AELSKUVTZRNISM-OAHLLOKOSA-N 428.415 5.368 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3cc(OC(=O)c4ccccc4)ccc3C1=O)cn2C 2296597346 MNFBGVXLSMDJHY-UHFFFAOYSA-N 425.440 5.022 30 10 IKEE Cc1ccc(C(=O)C=Cc2cn(C[C@H](O)CN(CC(C)C)CC(C)C)c3ccccc23)cc1 2297359338 KENONSNWMMABQW-AREMUKBSSA-N 446.635 5.821 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(=Cc1ccccc1Br)C2=O 2314437407 LOCKJBHVSHLSFQ-UHFFFAOYSA-N 435.273 5.593 30 10 IKEE CC(=C1SC(=Nc2ccncc2Cl)N(C2CCCCC2)C1=O)c1ccc(Cl)cc1 2314542372 JZQIVZUELZTUPA-UHFFFAOYSA-N 446.403 6.715 30 10 IKEE COc1cccc(C=C2SC(=Nc3cccc(C(=O)O)c3)N(C3CCCCC3)C2=O)c1 2314547516 JPHIDVWUGNMUHK-UHFFFAOYSA-N 436.533 5.330 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1N=Cc1cn(CC)c2ccccc12 2318571152 DFMWJCDQBPTHLF-UHFFFAOYSA-N 435.572 5.909 30 10 IKEE CCCCOc1ccc(C=Nn2c(C)nnc2SCc2cccc(F)c2)cc1OC 2321121996 DZRVWXRBGOCWLT-UHFFFAOYSA-N 428.533 5.088 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(Cl)cc2C=CC(=O)c2ccc(F)c(F)c2)c1 2322781856 HMTOHHYPOAWTRN-UHFFFAOYSA-N 441.861 5.840 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)NC2CCCCC2)cc1Cl 2322974802 BAFXDOCDSYMOQU-UHFFFAOYSA-N 427.928 5.072 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3ccc(C)cc3)c2)cc1 2323134674 JTWLMOOZBRCXRV-UHFFFAOYSA-N 445.515 5.316 30 10 IKEE CCOC(=O)c1ccc(COc2cc(C=CC(=O)c3ccc(C)cc3C)ccc2OC)o1 2323138746 NZZZSMCDCFVSLB-UHFFFAOYSA-N 434.488 5.557 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc2c(c1)OC(=Cc1c(Cl)cccc1Cl)C2=O 2323222630 WLXPJGWNYFTAJK-UHFFFAOYSA-N 443.257 5.897 30 10 IKEE COc1ccccc1C=C1Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)cc(C)c2C1=O 2323323511 KIZUWQWXPAQIMV-UHFFFAOYSA-N 446.886 5.892 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OCc3ccc(C)cc3)c(OC)c2)cc1OC 2323441192 JRYWPMQYFJNOAR-UHFFFAOYSA-N 448.515 5.505 30 10 IKEE COc1cccc(C=Nn2c(S)nnc2-c2cccs2)c1OCc1cccc(C)c1 2323532780 REKYZNGAMBAWSP-UHFFFAOYSA-N 436.562 5.074 30 10 IKEE O=C(CCOc1ccccc1)Oc1ccc2c(c1)OC(=Cc1c(F)cccc1Cl)C2=O 2323679901 LGLBMICJQIKKBH-UHFFFAOYSA-N 438.838 5.470 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccccc4C)c3C)C2=O)cc1 2324412986 SPEHAOQULWMWMD-IBGZPJMESA-N 441.527 5.888 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccccc2F)C3=O)c1 2324455971 CODHDFFQFZJPPK-SFHVURJKSA-N 445.490 5.773 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OCCCO)c(Br)c1 2324574717 XUQLHFWJXNUXKP-UHFFFAOYSA-N 431.370 5.712 30 10 IKEE Cc1cc(OCCCCOc2ccccc2)cc2c1C(=O)C(=Cc1ccc(Cl)cc1)O2 2324582596 QLBKKVIKAMPFNQ-UHFFFAOYSA-N 434.919 6.503 30 10 IKEE Cc1ccccc1OCCCCOc1cc(C)c2c(c1)OC(=Cc1sccc1C)C2=O 2324599191 ODDDHUITXZNHJZ-UHFFFAOYSA-N 434.557 6.528 30 10 IKEE N#C[C@@H](C(=O)C=Cc1ccc(Cl)c(Cl)c1)c1nc(-c2c[nH]c3ccccc23)cs1 2324672839 VNAXRCCEQDZBKF-HNNXBMFYSA-N 438.339 6.488 30 10 IKEE COc1ccc(OC)c(C=C2Oc3cc(OCc4cc(C)c(C)cc4C)ccc3C2=O)c1 2324762492 NOZMJAJYTPWMQI-UHFFFAOYSA-N 430.500 5.824 30 10 IKEE CCOc1ccccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1cccs1)C2=O 2324895221 DLVUYAZMCXHTBR-UHFFFAOYSA-N 435.501 5.089 30 10 IKEE CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2)C3=O)cc1 2325427662 HSNWLIMRSKUIHY-GOSISDBHSA-N 441.483 5.220 30 10 IKEE Oc1cccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccc(Cl)cc2)c1 2325461842 HZOWESJEYIXEJC-UHFFFAOYSA-N 448.979 5.597 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1cccc(C=CC(=O)c2ccc3c(c2)CCCC3)c1 2325701514 CRFNWXUOQKVHCC-UHFFFAOYSA-N 446.546 6.763 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)cc1 2325706017 TUNAFYFWGKPQAB-UHFFFAOYSA-N 435.863 5.926 30 10 IKEE CCc1ccccc1OCC(=O)Oc1cc(C=CC(=O)c2ccccc2OC)ccc1OC 2325723133 LZNBQZZIDMLGMR-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE CCOc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3cccc(Cl)c3)c2)cc1 2325728802 GZIXCDGAYRPCBU-UHFFFAOYSA-N 436.891 5.619 30 10 IKEE CCc1ccccc1OCC(=O)Oc1cccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)c1 2325756878 XWJCLPPLYHEOSX-UHFFFAOYSA-N 442.555 6.363 30 10 IKEE CSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccc(Cl)cc1Cl 2326500797 DEECHQMQAKIFDG-UHFFFAOYSA-N 441.771 5.730 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1N=Cc1cccc(OCC)c1OC 2326551383 KODMIRYWGVUKSQ-UHFFFAOYSA-N 444.988 5.466 30 10 IKEE CCOc1ccc(OCc2nnc(SCCc3ccccc3)n2N=Cc2ccco2)cc1 2326681442 OTTCGUWQQALUOU-UHFFFAOYSA-N 448.548 5.066 30 10 IKEE CSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc(Br)cc1 2327915480 WGTDAVAJVPEGNT-UHFFFAOYSA-N 435.778 5.083 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2ccccc2)cc1 2328567452 NNHPYUVXRYNJJR-UHFFFAOYSA-N 428.561 5.442 30 10 IKEE Fc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2N=Cc2ccccn2)cc1 2329862055 BQLJSISWJWQBGC-UHFFFAOYSA-N 437.931 5.231 30 10 IKEE CCCOC(=O)CSc1nnc(-c2cccs2)n1N=Cc1ccc(C(C)C)cc1 2330619541 JNYHELLYJQOJJY-UHFFFAOYSA-N 428.583 5.058 30 10 IKEE COc1cc(C=Nn2c(SC)nnc2-c2ccccc2)ccc1OCc1ccc(C)cc1 2330623343 IPYBTNUZJZOQEE-UHFFFAOYSA-N 444.560 5.445 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1OCC 2330643057 KRFLGUZDGBYESC-UHFFFAOYSA-N 425.481 5.765 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)c(OC)c2)cc1 2330770400 FUAZSBFRIJALFA-UHFFFAOYSA-N 442.555 6.670 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cccc(OC)c3)cc2Cl)cc1 2330778279 PTBUAZXNHGLAHA-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(OC)c1OC(=O)CC1CCCCC1 2330911040 NVXIBVFAWUWHOY-UHFFFAOYSA-N 442.939 6.129 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)[C@@H]1CCCO1 2331155277 LONXEXUMHVRTMN-NRFANRHFSA-N 426.896 5.058 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccccc3OCC)cc2)cc1 2331189493 PSADXAMHSJTMEG-UHFFFAOYSA-N 446.499 5.365 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(C)c3)c(Br)c2)cc1 2331271505 RMLCSZUVWNDIBJ-UHFFFAOYSA-N 435.317 6.181 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)c1ccc(C)cc1 2331276495 FNCZUSCHRIEYSF-UHFFFAOYSA-N 434.919 6.471 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OC(=O)c1ccc(F)cc1 2331479042 QPPAVKYAORFOQU-UHFFFAOYSA-N 440.470 6.493 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccn2)c(Br)c1)c1ccc(F)cc1 2331525900 PKIGIECJWZMTKZ-UHFFFAOYSA-N 426.241 5.099 30 10 IKEE COc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CCC2)cc1O 2331535592 YGZHAMDXXWXXTD-UHFFFAOYSA-N 444.560 5.588 30 10 IKEE CCCc1nnc(SCc2nc(O)c3ccccc3n2)n1N=Cc1ccc(C(C)C)cc1 2331659253 WLPOYPGGOAAGQA-UHFFFAOYSA-N 446.580 5.177 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(Br)c3)cc2)cc1C 2331704636 OKCJLIKFIPBHIV-UHFFFAOYSA-N 435.317 6.181 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(OCC(C)C)cc3)cc2)cc1C 2331704755 CINWCTYCEXMTFC-UHFFFAOYSA-N 428.528 6.454 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccccc1C(=O)O 2331708394 JQGAOCQJNAGUJA-UHFFFAOYSA-N 449.363 5.581 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1)c1ccc([N+](=O)[O-])cc1 2331859073 HPHUSVKRGCWWRB-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE CC#CCN(C[C@H](NCCC)c1cc(C)cc(Br)c1F)C(=O)OC(C)(C)C 2363127759 BTCXAWHWFWHQGZ-SFHVURJKSA-N 441.385 5.198 30 10 IKEE CC#CCN(C[C@@H](NC)c1c(C)c(C)c(Br)c(C)c1C)C(=O)OC(C)(C)C 2375340530 XLHYXYVFDJQQEX-GOSISDBHSA-N 437.422 5.204 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(C)c(C)c(Br)c(C)c1C 2375352691 UMYZSTIUFZKDRK-PXNSSMCTSA-N 439.438 5.803 30 10 IKEE CCCCP(=O)(CCCC)Oc1ccc(CC(F)(F)C(F)(F)C(F)(F)F)cc1 3636352 UKLAQVBZLGYWDP-UHFFFAOYSA-N 436.348 7.319 30 10 IKEE CC(C)Oc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccc(F)cc1)C2 21220357 KXWKWLAMEIIUQE-WHLCRQNOSA-N 442.534 6.592 30 10 IKEE CC(C)COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc3ccccc3c2)cc1 21252379 MJBVACDQQVSYAQ-ILBGXUMGSA-N 439.555 5.879 30 10 IKEE CCCn1cc(CN/C(=N/C(=O)c2ccc(C(C)(C)C)cc2)Nc2ccccc2)c(C)n1 32972748 SPJGYPDOBCFQGZ-UHFFFAOYSA-N 431.584 5.297 30 10 IKEE O=C1/C(=C/c2ccccc2Br)Oc2cc(OCc3ccccc3F)ccc21 33368878 AJKGQSAGMAOIDX-NHDPSOOVSA-N 425.253 5.783 30 10 IKEE O=C(/C=C\c1cccs1)c1ccc(OC(=O)N(c2ccccc2)c2ccccc2)cc1 34954036 UTJGCDBUUQPYBX-ZCXUNETKSA-N 425.509 6.981 30 10 IKEE Cc1nn(Cc2ccccc2Cl)c(C)c1/C=N/Nc1c2ccccc2nc2ccccc12 39557588 YVWPAUWDCXVQJT-RWPZCVJISA-N 439.950 6.349 30 10 IKEE Cc1ccc(-n2c(C)cc3c2CC(C)(C)C/C3=N\OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 39853102 XGBCXJWCHLMSKF-XTCLZLMSSA-N 431.492 5.536 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@H]1c1ccc(Cl)cc1 40085833 CTVQNCYEQWXMHL-OAQYLSRUSA-N 427.928 5.426 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cccc(OCCC)c1 40096006 WGYPXSHLDDWHAB-OSPHWJPCSA-N 449.547 5.177 30 10 IKEE Cn1cc(/C=C2\Oc3c(ccc4c3CN(Cc3ccc(F)cc3)CO4)C2=O)c2ccccc21 41661767 NGOBRDHKNBNBCI-ROTLSHHCSA-N 440.474 5.286 30 10 IKEE Clc1ccc(Sc2oc(/C=N/c3ccccc3Cl)cc2Br)cc1 59248296 VOWNLCMPCUREMU-UFFVCSGVSA-N 427.150 7.251 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3cccs3)CO4)C2=O)cc1 62993118 FVZFWRCGDNFTRZ-OYKKKHCWSA-N 446.572 5.563 30 10 IKEE N#Cc1cccc(CSc2nc(=O)c3c(-c4ccc5ccccc5c4)csc3[nH]2)c1 96534420 RUCHZMVTNVXBDH-UHFFFAOYSA-N 425.538 5.969 30 10 IKEE CCCCCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccccc2OCC)c1 98021393 RDTAJBYGPLLMLO-RUZDIDTESA-N 440.609 6.163 30 10 IKEE COc1ccc(/N=C2\S/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)N2C)cc1 100347004 ICOCMJQUQQWCPW-DYEBMTOPSA-N 435.461 5.097 30 10 IKEE CCCCCCCOc1ccc(C(=O)NCc2ccc(OCCC(C)C)c(OC)c2)cc1 100407045 VBFMWWACEXLWQU-UHFFFAOYSA-N 441.612 6.399 30 10 IKEE O=C1/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)S/C(=N/c2ccccc2)N1c1ccccc1 100971005 JSBIVTUUISRGHS-PJCBNKFBSA-N 445.456 5.132 30 10 IKEE CCCCCCCSc1nnc2c(n1)O[C@@H](c1ccc([N+](=O)[O-])o1)Nc1ccccc1-2 101007428 SLECBSBYIZHXMC-IBGZPJMESA-N 441.513 5.605 30 10 IKEE CCCCCCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccccc1[N+](=O)[O-] 101285176 GGPNJRMHXXUPKQ-QHCPKHFHSA-N 448.523 5.747 30 10 IKEE O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@@H](c2ccc(F)cc2)/C1=C(/O)c1ccccc1 102506624 ZAYNSVPITQDRCW-LCPUNJGISA-N 448.450 5.201 30 10 IKEE CC(C)c1ccc([C@@H]2/C(=C(/O)c3ccc(Cl)cc3)C(=O)C(=O)N2Cc2ccco2)cc1 102607553 KKJNQEZOLFNTKR-RKKARLDVSA-N 435.907 5.678 30 10 IKEE Cc1ccc(CN2c3ccccc3C(=O)/C(=C/Nc3ccc(C)cc3C)S2(=O)=O)cc1 105285806 YFIMCRXSVKJXEP-IWIPYMOSSA-N 432.545 5.098 30 10 IKEE CCCc1nnc(SCc2ccc(Br)cc2)n1/N=C\c1ccc(OC)cc1 135883431 SDPVFTWNANSCQE-XKZIYDEJSA-N 445.386 5.176 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2Cc2cccs2)cc1 169921152 QOOUQXVXPJDADF-QFIPXVFZSA-N 444.512 5.017 30 10 IKEE CCCN1C(=S)N[C@H](c2cccc(OCc3ccc(Cl)cc3)c2)C2=C1CCCC2=O 169930126 WZNKKKWFGNKLDR-HSZRJFAPSA-N 440.996 5.567 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccc(O)cc2)c1 169961293 QTQUGHPXDXFSGV-JOCHJYFZSA-N 433.891 5.445 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2cccs2)cc1Cl 169986758 PZOPEYJUDYLTKN-QFIPXVFZSA-N 437.948 5.812 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccncc2)cc1 170016607 DQVIGKXETIOFKM-DEOSSOPVSA-N 442.515 5.387 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2ccccc2)cc1 170052252 ZAMKAFDALMDYLE-QHCPKHFHSA-N 431.919 5.994 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)[C@H]2c2ccccc2)c1 170053763 BUXZUQBBNYURHV-DEOSSOPVSA-N 443.499 5.265 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@H]2c2ccc(C)o2)c1 170101006 SBBAISREKMNKRM-NRFANRHFSA-N 439.870 5.780 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1cccc(Cl)c1 170107007 UKYXKNFHKPLWDF-GOSISDBHSA-N 444.339 6.146 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccncc2)c1C 170202936 QJNPGCNOFSBHJY-DEOSSOPVSA-N 442.515 5.269 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C2CCCC2)cc1 170214669 CEEXQCSMDNNMCD-RUZDIDTESA-N 445.559 5.485 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2)cc1C(C)C 170221738 CTHWVONQKBQFRT-QHCPKHFHSA-N 447.556 5.659 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2)cc1C 170221884 VYARHCBGQXPDBC-QHCPKHFHSA-N 447.556 5.624 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1ccccc1 170228701 OVUITUYQQCQHDB-XMMPIXPASA-N 427.500 5.565 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(F)cc1)c1c[nH]c2ccccc12 170237223 CMUSRCFSCZWSLX-OAQYLSRUSA-N 432.476 5.147 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2c2ccccc2)cc1 170265338 LKTXOPACFIPQAN-XMMPIXPASA-N 427.500 5.349 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(CC)cc1 170268319 QMBYBNSXVQDALZ-XMMPIXPASA-N 435.564 5.805 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(C)o2)c(C)c1 170304965 YIJKBXRXTFRCDX-OSPHWJPCSA-N 443.499 5.311 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1sccc1C 170315576 LLHFCTKPAWLLTH-HSZRJFAPSA-N 439.536 6.301 30 10 IKEE CC(=O)c1c(C)oc(NC(=O)c2ccc(-c3cc(=O)c4cc(C)cc(C)c4o3)cc2)c1C#N 170573819 PMKUBPHBRYOPDE-UHFFFAOYSA-N 440.455 5.305 30 10 IKEE CCOc1cccc2sc(NC(=NC)Nc3nc4c(OCC)cccc4s3)nc12 195987151 YONBNZJIHIBKJX-UHFFFAOYSA-N 427.555 5.213 30 10 IKEE CCCCCCCCC[C@@H](O)c1cc(I)ccc1Br 232950742 SRGMMCSRQTVIEG-MRXNPFEDSA-N 439.175 6.228 30 10 IKEE CCOc1cc(N(CC)CC)ccc1/C=C1/SC(=Nc2ccc(OC)cc2)N(C)C1=O 252596229 CHLBOIBYKICALE-LAJNNLEESA-N 439.581 5.174 30 10 IKEE CC(C)(C)c1cc(Cl)c(O)c(N=Cc2cc([N+](=O)[O-])cc(Br)c2O)c1 252606176 GQEJWEPVGQONAL-UHFFFAOYSA-N 427.682 5.470 30 10 IKEE CCOc1ccc(Cl)cc1/C=C1/SC(=Nc2ccccc2)N(C[C@H]2CCCO2)C1=O 252628825 SYSLHZGKUNLUIS-BRLVIBBESA-N 442.968 5.522 30 10 IKEE COc1ccc(-c2oc(N=Cc3ccc(F)cc3)c(C#N)c2-c2ccc(OC)cc2)cc1 254394607 GATIHYPMFNRQGI-UHFFFAOYSA-N 426.447 6.392 30 10 IKEE Cc1ccccc1NC(=O)c1ccsc1N=Cc1cn(Cc2ccccc2)c2ccccc12 254478274 BYECETBAQSGJOK-UHFFFAOYSA-N 449.579 7.062 30 10 IKEE CN1/C(=C2/SC(=Nc3ccccc3)N(c3ccc(O)cc3)C2=O)Sc2ccccc21 254904889 HWWXRDDOQICNPQ-JSYGVCDLSA-N 431.542 5.571 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1sccc1Br)NCCC 406498359 LEBSQNVTZCRXBT-HZPDHXFCSA-N 431.440 5.281 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(O)c(Cl)c2)c1 526514044 ASOHZJNCETWTPL-QHCPKHFHSA-N 446.890 5.373 30 10 IKEE CCOc1ccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1Cl 526523521 ZFURXBWASCHZGA-HSZRJFAPSA-N 448.881 5.807 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526605702 DWYYFWLHZVYNOL-HSZRJFAPSA-N 429.545 5.523 30 10 IKEE N#Cc1cccc(N2C(=O)C(Nc3cccc4ccccc34)=C(Sc3ccccc3)C2=O)c1 526636271 LSYXBPVGRXDBEO-UHFFFAOYSA-N 447.519 5.701 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)c(F)c2)cc1 526709048 CIVCZQLAQOQNPJ-HSZRJFAPSA-N 449.453 5.537 30 10 IKEE COc1cccc(/C=N\n2cnnc2SCc2cccc(C)c2)c1OCc1ccccc1 526807811 CUYGFMQEOHFNQG-DICXZTSXSA-N 444.560 5.349 30 10 IKEE C=C(C)CN(c1ccc(OCC)c(OCC)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586243802 LFSVDOACBWBLMJ-UHFFFAOYSA-N 444.380 5.562 30 10 IKEE Cc1ccc(C)c(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 586249052 HQWGYGFTDNSGAM-UHFFFAOYSA-N 432.589 5.868 30 10 IKEE C=CCN(CC=C)C(=O)c1cccc(NC(=O)Nc2ccc(Cc3ccncc3)cc2)c1 586716312 NNTTYTPRPGIUEO-UHFFFAOYSA-N 426.520 5.131 30 10 IKEE CC(C)(C)OC(=O)N(C[C@H]1CCCO1)[C@@H](C#N)c1cc(Br)c(Cl)s1 698350334 IZHBMFCTIZMQRH-PWSUYJOCSA-N 435.771 5.145 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@](C)(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 698883598 CUFUUHKTVNQPSW-WZONZLPQSA-N 449.617 5.557 30 10 IKEE CCCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2cc(C)n(C)c2C)cc1 917612034 CBWSRMBVQRVYTI-UHFFFAOYSA-O 431.585 5.077 30 10 IKEE Cc1c(Cc2ccccc2)sc(N=Cc2cccc(OCc3ccccc3)c2)c1C(N)=O 1084405138 ZZCFGFSVRLJLKO-UHFFFAOYSA-N 440.568 6.076 30 10 IKEE C=C(C)[C@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)/C(=N\O)CC[C@@]34C)[C@@H]12 1614467718 IBHLVHLIYYDTRV-RQYYAQOOSA-N 439.728 8.494 30 10 IKEE Cc1cc2c(n1-c1ccccc1)CC(C)(C)CC2=NOC(=O)c1ccc(Cl)cc1Cl 1772728282 CZLBFHNNMIOMFE-UHFFFAOYSA-N 441.358 6.626 30 10 IKEE Cc1cccc(N=C2S/C(=C\c3ccccc3OCc3ccc(Cl)cc3)C(=O)N2C)n1 1772731510 OJQLSDHNLYRGCV-PAMLCIOASA-N 449.963 5.856 30 10 IKEE O=C1/C(=C\c2cccs2)SC(=NN=Cc2cc(Cl)ccc2O)N1Cc1ccco1 1772759111 LRTIVFMWJQSZIR-ZRYNEFLPSA-N 443.937 5.207 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)C1CCN(Cc2ccccc2)CC1 1861163877 LWMWPYCNBFCECR-VWLOTQADSA-N 443.676 5.050 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)COc1ccc(CCC)cc1 1861655217 FEEORSVMSRFXCI-RUZDIDTESA-N 446.676 5.950 30 10 IKEE CCCCCCCCNC(=O)[C@@H](NC(=O)c1ccc(-n2cccc2)cc1)c1ccccc1 1861773390 FZHGBLUOFGTILV-VWLOTQADSA-N 431.580 5.425 30 10 IKEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc2ccccc12 1862435246 REHXZWVMQGAXFR-HSZRJFAPSA-N 448.950 5.023 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccccc1Br 1862440374 WQTOONMOLLEPSZ-KRWDZBQOSA-N 434.717 5.089 30 10 IKEE CCN(CC)CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc(C)c1 1862475011 AXLPFYMSYICYNV-XMMPIXPASA-N 434.580 5.004 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@H]2c2cccc(O)c2)c1 1862489919 KFBNDFTYNGIGQF-QHCPKHFHSA-N 447.918 5.441 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccccc2Cl)c1 1862491160 MZXQYDZIRKAPLI-HSZRJFAPSA-N 437.967 6.258 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cccc(F)c1 1862501463 CTARAKQBGXDURM-REWPJTCUSA-N 441.518 6.210 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2C2CCCCCC2)c1 1862502275 VQBZSTDSIDFGDF-QHCPKHFHSA-N 437.511 5.444 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc(C(F)(F)F)cc2)ccc1F 1862507917 BRYYPPBSXNQKGP-LJQANCHMSA-N 435.417 5.387 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CC(C)C)cc1 1862509619 MLLZZSMCRCATPY-QHCPKHFHSA-N 438.543 5.215 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 1862538103 DCKFSWVEXHOMJZ-HXUWFJFHSA-N 431.454 5.646 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862619024 MBEXJAMZHJVMTO-NRFANRHFSA-N 436.508 5.271 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862623001 QHCHOZDUMGVJBO-KOSHJBKYSA-N 449.591 6.150 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc(Cl)c1 1862654140 VZJPSOIUSCSOIK-QHCPKHFHSA-N 449.934 5.498 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccc1 1862713279 LLAVXUYGSCBSGJ-AOYPEHQESA-N 441.571 6.777 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)cc1 1862740605 FNXFPECGZBUQHX-POCHDABASA-N 448.519 5.314 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1c(Cl)cccc1Cl 1862760567 RDAQIDYHRNSIOW-ADLMAVQZSA-N 449.290 5.278 30 10 IKEE CC(C)c1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(F)cc3F)C2=O)cc1 1862944919 MMLJYBUROLRXSD-UHFFFAOYSA-N 443.453 5.356 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(-c2ccccc2C)cc1 1866029754 FPFMQLAPLPQJGZ-UHFFFAOYSA-N 449.723 9.862 30 10 IKEE Cn1nc(-c2ccccc2F)c(C#N)c1NC(=O)c1c2c(nc3c(Cl)cccc13)CCC2 1866276628 DLFIIBVMYKSOKH-UHFFFAOYSA-N 445.885 5.040 30 10 IKEE Cc1nc(Nc2cccc(C#N)c2)cc(N2CCc3ccccc3[C@H]2c2cccc(F)c2)n1 1868466868 GVJOFEUUOCFAGJ-HHHXNRCGSA-N 435.506 5.692 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(O)cc2)c(CN2C[C@@H](C)C[C@@H](C)C2)cc1=O 1870416910 VFTKGYGMCXXKFA-SZPZYZBQSA-N 440.628 5.429 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)cc2)c(=O)cc1CN(CCCC)CCCCCC 1870439089 MFBKCQUWSTXBBZ-UHFFFAOYSA-N 445.047 6.449 30 10 IKEE C=CCn1cc(OCCCOc2ccc(OC)cc2)c(=O)cc1CNc1ccc(CC)cc1 1871041460 BSMZQPQGPMISJR-UHFFFAOYSA-N 448.563 5.065 30 10 IKEE C=CCn1cc(OCc2cccc(OC)c2)c(=O)cc1CNc1cccc(C(C)(C)C)c1 1871054818 OCCXWUQPEFBYBP-UHFFFAOYSA-N 432.564 5.532 30 10 IKEE C[C@@H]1CCCC[C@H]1N1COc2ccc3c(c2C1)O/C(=C\c1cn(C)c2ccccc12)C3=O 1871351180 OLOSKOBDZHUJAJ-SJSVFJFWSA-N 428.532 5.525 30 10 IKEE CCCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871390820 KWMMKJQIKAFABV-IWIPYMOSSA-N 442.467 5.536 30 10 IKEE Cc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1cccc(F)c1)C2=O 1871409066 INTLFWNWIDHADW-PGECNJAHSA-N 431.463 5.465 30 10 IKEE COc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccccc1F)C2=O 1871412605 WQKADIVPODNZOU-GEWRUKCFSA-N 447.462 5.165 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4cccc(Cl)c4C)c3C)C2=O)c1 1871427552 JQLVSJIRTZRDPC-QRVIBDJDSA-N 447.918 5.899 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCc4cccc(Oc5ccccc5)c4)cc(C)c3C2=O)c1 1871436603 HFGRNQYHAKMMHA-QRQIAZFYSA-N 448.518 7.291 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(Cl)cc1)C2=O 1871453524 CQUDBQIEHMKGFV-XKZIYDEJSA-N 433.891 5.591 30 10 IKEE COc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871457075 OANUPIFEOAKTLA-UUYOSTAYSA-N 449.890 5.291 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccccc1CC)S(=O)(=O)c1ccc(C)c(C)c1 1872472588 FIBVTCDKGVIBGN-DEOSSOPVSA-N 442.625 5.240 30 10 IKEE CCCc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 1872760397 NIBNGBXLVHWOQG-HSZRJFAPSA-N 430.573 5.897 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccccc3C(C)C)n2)cc1 1872765155 IRHZDVWKPWOXHT-AUSIDOKSSA-N 446.616 6.920 30 10 IKEE N#C[C@H](C(=O)/C=C\c1ccc2c(c1)OCCO2)c1nc(-c2cccc3ccccc23)cs1 1872775512 SCCXOEREQXZDNR-IZUALYBUSA-N 438.508 5.624 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)c(C)c2)cc2c(NCCc3ccccc3)ncnc21 1873606974 ILYABNTZTMLNNN-UHFFFAOYSA-N 445.954 5.486 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(N3CCCCC3)cc2)cc2c(NCCC(C)C)ncnc21 1873610722 FCDPAOHTKMMYRF-UHFFFAOYSA-N 446.599 5.318 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)c(C)c2)cc2c(NCc3ccccc3C)ncnc21 1873618639 FHKMIXUCDRUVQP-UHFFFAOYSA-N 445.954 5.752 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)c(Cl)c2)cc2c(N3C[C@@H](C)C[C@@H](C)C3)ncnc21 1873666561 PYVSVDSIQNHIFM-IYBDPMFKSA-N 437.975 5.314 30 10 IKEE CCCSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1cccc(C)c1 1874209153 FPCMWYSBWZGBGJ-HYARGMPZSA-N 429.387 5.324 30 10 IKEE Cc1cccc(/C=N/n2c(CCCOc3ccccc3)nnc2SCc2ccccc2)c1 1874316039 YGCHVPOXQBPVHE-ZXVVBBHZSA-N 442.588 5.773 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1c[nH]c2ccccc12 1874329774 FERGWXQTYBRGGO-JFLMPSFJSA-N 429.593 5.712 30 10 IKEE CSc1nnc(Cc2ccccc2F)n1/N=C/c1ccc(OCc2ccc(C)cc2)cc1 1874372904 XKOZAKWQTZZVJF-JVWAILMASA-N 446.551 5.500 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2/N=C/c2ccccc2C)cc1 1874390723 BHXMJKSGFMGZDQ-JVWAILMASA-N 447.007 6.314 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2)n1/N=C/c1ccccc1Cl 1874395124 DUIMLRMOQNRLDM-CVLFLDGLSA-N 432.980 6.258 30 10 IKEE C=C(C)CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1ccc(N(CC)CC)cc1 1874395641 RDFXHDXZRSXPNG-ZFOBRQHDSA-N 433.625 5.827 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2[C@H](C)c2ccccc2)cc1 1874399008 HQCMIZPVWFJGPU-BWJYWGHISA-N 447.007 6.566 30 10 IKEE Fc1ccccc1CSc1nnc(CC2CCCCC2)n1/N=C/c1c[nH]c2ccccc12 1874408410 VOJQHHVWLSFHNA-LQKURTRISA-N 447.583 6.196 30 10 IKEE CC(C)c1ccc(/C=N/n2c(Cc3cccs3)nnc2SCCc2ccccc2)cc1 1874413337 OKDIOXJRNHWINR-NLRVBDNBSA-N 446.645 6.271 30 10 IKEE CC(C)c1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2F)cc1 1874416879 MUFHSQQDJNWSFI-OGLMXYFKSA-N 444.579 6.306 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2[C@@H]2CCCO2)cc1 1874453373 ICGQRNQGZGXORK-RIDKEVFESA-N 449.363 5.317 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1ccc(C(F)(F)F)cc1 1874478909 YPEPEFWVQQXXCO-MZJWZYIUSA-N 446.542 6.431 30 10 IKEE Fc1ccc(CSc2nnc(C3CCC3)n2/N=C/c2cccc(Br)c2)cc1 1874494674 CZGUROCUMLCWKU-FSJBWODESA-N 445.361 5.622 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCc3ccccc3F)nnc2C(C)C)cc1 1874513697 LOYVQEWQJDENTN-MFKUBSTISA-N 425.577 5.561 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc(O)c(OC)c1 1874528166 VSTZJTHDXWBVGT-LSHDLFTRSA-N 437.352 5.036 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2cc(C)ccc2C)cc1 1874573716 BNJPVFOJQJMJDE-FYWRMAATSA-N 432.991 7.775 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2C)cc1C 1874574524 QQJWKNJZOQBXRM-DHZHZOJOSA-N 449.934 5.879 30 10 IKEE O=C(/C=C/c1ccccc1OCc1cccc2ccccc12)c1cccc(Br)c1 1874576018 SUMMVEJUCVBEEQ-FOCLMDBBSA-N 443.340 7.077 30 10 IKEE CCN(CC)C(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(Cl)c(Cl)c1 1874579610 XRBGEQZQTFESRZ-RMKNXTFCSA-N 440.754 5.790 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1cc(Cl)ccc1OCc1ccc(C)cc1 1874588939 MFSDSPCLUPECCE-CSKARUKUSA-N 441.354 7.094 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OCC(=O)NC1CCCCC1 1874613274 LYKLOZFHSPAPJG-ZRDIBKRKSA-N 427.928 5.072 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OCc1cccc(Cl)c1 1874617543 HBANGAFWIPWQAR-ACCUITESSA-N 446.974 7.169 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(OC)c1OCc1ccccc1 1874622902 BQVSDKLDPODZTM-ISLYRVAYSA-N 434.535 7.052 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OCCc1ccccc1 1874624185 PZQSFYSULHTJFP-XNTDXEJSSA-N 448.990 7.380 30 10 IKEE O=C(/C=C/c1ccc(OCc2c(F)cccc2Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 1874625358 ZLIAGOVKBWBUDK-ONNFQVAWSA-N 429.806 6.002 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(Cl)cc3Cl)c2)cc1 1874694472 FDZRXNUGXHVVEA-MDWZMJQESA-N 425.311 6.671 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)CCc3cccc(OC)c3)c2)cc1 1874696379 ARPNTIDIXJDESA-VGOFMYFVSA-N 446.499 5.147 30 10 IKEE O=C(Cc1cc(Cl)ccc1Cl)Oc1cccc(/C=C/C(=O)c2ccc(F)cc2)c1 1874710381 ZHMVTTHKXFOFAZ-NYYWCZLTSA-N 429.274 6.177 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(C)cc3)c2)c(OC)c1 1874714437 VZPHBCWCVOAPGX-NTUHNPAUSA-N 432.472 5.136 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)CSc2ccccc2)c1 1874718045 JPRUZORYWXJABF-ZRDIBKRKSA-N 438.932 5.942 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OC(=O)c1cccc(Cl)c1 1875110734 ZYMHFZZEPTYERW-PKNBQFBNSA-N 427.283 6.117 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1Cl 1875133039 AXSREMMAFORHQA-BJMVGYQFSA-N 441.310 6.426 30 10 IKEE Cc1cc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2Cl)ccc1F 1875158370 SGCACJVZEZRRSV-XCVCLJGOSA-N 426.846 5.971 30 10 IKEE CCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)cc2OC)cc1Br 1875178707 XTQLQCMJCIIUAM-UXBLZVDNSA-N 433.298 5.068 30 10 IKEE CSCCCC(=O)Oc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1[N+](=O)[O-] 1875183102 KTRSFCBCBCVBQG-VQHVLOKHSA-N 427.522 5.465 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)c1ccc(F)cc1 1875185104 GYOBWWSUAIQKRB-VGOFMYFVSA-N 446.518 6.556 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc4ccccc4n3C)cc2)cc1Cl 1875186749 AVSRFVNOCQATJD-UKTHLTGXSA-N 445.902 5.956 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)cc1Cl 1875188617 AVWKZENYWVNDFK-DHZHZOJOSA-N 435.347 6.774 30 10 IKEE N#Cc1ccc(CNC(=O)c2cc(-c3ccccc3)nc3ccc(Br)cc23)s1 1890918862 DPLMONQXVWOXHE-UHFFFAOYSA-N 448.345 5.527 30 10 IKEE O=C(Cc1ccc(F)c(C(F)(F)F)c1)N1CC[C@@H](Cc2ccc(C(F)(F)F)cc2)C1 1891247092 NRKMBOYKVFRALA-HNNXBMFYSA-N 433.367 5.497 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(C(=O)OC(C)(C)C)CC(C)(C)C2)c1 1922770116 VFCUFYUNYVMBKZ-RUZDIDTESA-N 443.588 5.666 30 10 IKEE CN(C[C@](C#N)(N(Cc1ccccc1)C(=O)OC(C)(C)C)C(C)(C)C)C(=O)OC(C)(C)C 1929982675 ORGKNUMQZZDAGY-VWLOTQADSA-N 445.604 5.599 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 1943911156 JYGTVUBYNHCKJJ-CYFREDJKSA-N 435.609 5.676 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 1945519747 AGMPTPMTPFRTEW-LZQZEXGQSA-N 433.524 5.105 30 10 IKEE C#CCCN(C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC)C(C)C 1984779833 YMERAEUKOCRSJM-FNZWTVRRSA-N 446.591 5.200 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C1(CCNC(=O)OC(C)(C)C)CCCC1 1999584156 XDDNPNDXZDGCIM-QHCPKHFHSA-N 430.633 5.603 30 10 IKEE CC(C)(C)OC(=O)N1CCC(C[C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)CC1 2000205320 JXRKUVWAJCVBJE-FQEVSTJZSA-N 435.609 5.486 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@](C)(C#N)[C@H]1CCCSC1 2029443082 KKVSBQHAUGNLIL-LIRRHRJNSA-N 425.392 5.616 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C 2032000331 NZTWFXITTHVGEV-CEYNDMKZSA-N 443.588 5.664 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Cl)cc1Br 2077810931 WLBLAJLCCLUIBG-IAGOWNOFSA-N 429.786 5.060 30 10 IKEE CC(C)c1ccc([C@H](n2nc(C3CC3)c(C#N)c2I)C(C)(C)C)cc1 2079930671 AIKZVHYZKOGQGS-IBGZPJMESA-N 447.364 5.996 30 10 IKEE Cc1cc(O)c([C@H](C2CCC2)n2nc(C(F)F)c(C=NO)c2Br)cc1C 2080054089 MYPYKXZYURKBAI-INIZCTEOSA-N 428.277 5.103 30 10 IKEE CC(C)(C)n1nc(C(F)(F)F)c(-c2cc(C(F)(F)F)ccc2F)c1Br 2080875500 OLOUBDDFCJVQPV-UHFFFAOYSA-N 433.165 6.244 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)ccc1C 2137760678 HYPBPBWJRXYCRY-OALUTQOASA-N 425.411 5.658 30 10 IKEE CN(c1cc(Br)c(C#N)cc1F)[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2151258197 RIAPYMCDLLRTJL-BWTSREIZSA-N 428.349 5.092 30 10 IKEE CC1(C)CC[C@H](Nc2cccc(Br)c2C#N)[C@H](CNC(=O)OC(C)(C)C)C1 2162313845 YVLRELBVAGPNRP-YOEHRIQHSA-N 436.394 5.452 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1cc(OC)c(OC)cc1Br 2164264793 LGAARTNEKQVIDR-QFIPXVFZSA-N 434.374 5.280 30 10 IKEE CC(C)(C)OC(=O)NCCN(c1ccc(C#N)c(Br)c1F)C1CCCCC1 2186665673 BMLPRYSKNXOSKF-UHFFFAOYSA-N 440.357 5.124 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@@H](N)C#Cc2ccc(Cl)cc2)cc1Br 2231103009 JZMNVTDSNJEQNX-KRWDZBQOSA-N 435.749 5.501 30 10 IKEE CCCN[C@H](C#Cc1ccc(CCC)cc1)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 2231227908 HUYFEBWHJPBJSV-HHHXNRCGSA-N 448.651 6.186 30 10 IKEE CCCCCCCC[C@H](C)Nc1ccc(I)cc1Br 2231923986 OEVWPWIHDXNCBK-ZDUSSCGKSA-N 438.191 6.605 30 10 IKEE C=C(c1ccccc1)[C@H](NCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2256696422 LDNZOLXMDRZZBH-DEOSSOPVSA-N 436.596 5.132 30 10 IKEE C=CCN(C[C@@H](NCCC)c1cccc(Cl)c1Br)C(=O)OC(C)(C)C 2259396980 OOLXKJCCELOSNE-MRXNPFEDSA-N 431.802 5.566 30 10 IKEE C=C(C)CCCC[C@@H](NCCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2287383249 MCUMPAVPBICLSI-HXUWFJFHSA-N 439.438 6.973 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Br)cc(C(C)(C)C)c1 2288666429 UAIHAUHZNJCPMT-RTBURBONSA-N 439.438 5.867 30 10 IKEE Cc1cccc(N2C(=O)C(=C3Sc4ccccc4N3C)SC2=Nc2ccccc2C)c1 2295178742 UTIRDWYKPIHXFQ-UHFFFAOYSA-N 443.597 6.482 30 10 IKEE C=C(C)COc1ccc(C=C2N=C(c3ccccc3Br)OC2=O)cc1OCC 2297453184 WIQOQWWTANIOJY-UHFFFAOYSA-N 442.309 5.147 30 10 IKEE COc1ccc(C=C2SC(=NN=Cc3ccccc3)N(N=Cc3ccccc3)C2=O)cc1 2313526832 NSYKGOPTNMOUEH-UHFFFAOYSA-N 440.528 5.036 30 10 IKEE O=C(C=Cc1c(Cl)cccc1Cl)c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 2314429762 OEUFCRMHVAJTDG-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE Cc1ccc(COc2ccc(C=C3SC(=Nc4cccnc4Cl)N(C)C3=O)cc2)cc1 2314540474 QQBUHAXNKRZWNT-UHFFFAOYSA-N 449.963 5.856 30 10 IKEE O=C1C(=Cc2ccncc2)SC(=Nc2nc(-c3ccccc3)cs2)N1c1ccccc1 2314543402 CMVPMBIYVYZCAH-UHFFFAOYSA-N 440.553 6.014 30 10 IKEE COc1ccc(OC)c(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CC2)c1 2320887005 FXTYFMOYYLJAQW-UHFFFAOYSA-N 428.945 5.001 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Br)ccc2OCc2ccc(F)cc2)cc1 2322442875 CBQSBULDTAQJPJ-UHFFFAOYSA-N 441.296 6.072 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccccc2OCc2cccc(C)c2)cc1OCCC 2322502417 DLRYHFWTKZRVJX-UHFFFAOYSA-N 444.571 7.048 30 10 IKEE CCCOC(=O)COc1ccc(Br)cc1C=CC(=O)c1ccc(Cl)cc1 2322528330 XVSIEJYHUJZTPL-UHFFFAOYSA-N 437.717 5.331 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccccc2)c1OCC(=O)N[C@@H](C)c1ccccc1 2322545717 WJFJMOWMLJWEHB-SFHVURJKSA-N 449.934 5.501 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2cc(C)ccc2C)c(OC)c1 2322904490 YLZDHBCULPHNNK-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)c3cccc(Br)c3)ccc2C1=O 2322930396 WPVHMWNVTGXGJJ-UHFFFAOYSA-N 435.273 5.593 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCc3nc(O)c4ccccc4n3)c2)c(C)c1C 2323247883 AIODSIHHYYGMGQ-UHFFFAOYSA-N 440.499 5.436 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1OCc1ccccc1C 2323327204 JMLTYTANRLLSDC-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)cc([N+](=O)[O-])c1OCc1ccccc1F 2323476311 HNHXNZNCEBSERZ-UHFFFAOYSA-N 449.478 6.170 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1 2323485669 PQOLCSCUDUGZIQ-UHFFFAOYSA-N 429.516 5.480 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCCc3ccccc3)cc2)cc1OCCC 2323743888 GNLHMVOYNVKAQZ-UHFFFAOYSA-N 444.571 6.782 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(OCC)c(OC)c([N+](=O)[O-])c2)cc1OCCC 2323749993 PZGSOYPFUBTQIM-UHFFFAOYSA-N 443.496 5.476 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)c1 2323854282 FJBPAZAMFDGVKY-UHFFFAOYSA-N 432.859 5.740 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OCC(=O)Nc1ccc(C)cc1C 2323959860 RQCJHIOHNFTLJI-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE Cc1cc(O)c(CN(C2CCCCC2)C2CCCCC2)c2c1C(=O)C(=Cc1ccco1)O2 2324044772 NNAMGNVOLRGLAV-UHFFFAOYSA-N 435.564 6.377 30 10 IKEE CCOc1ccccc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc(F)cc1)C2=O 2324895244 JKPJPVBXHGHNDG-UHFFFAOYSA-N 447.462 5.167 30 10 IKEE CCCOC(=O)[C@H](CC)Oc1ccc2c(c1)OC(=Cc1cn(CC)c3ccccc13)C2=O 2325079465 YNFRYOOUHPIHOZ-QFIPXVFZSA-N 433.504 5.388 30 10 IKEE Cc1ccc(NC(=O)CCOc2ccc3c(c2C)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2325232194 RFUYPODNOUSCIW-UHFFFAOYSA-N 447.918 5.981 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCCC(=O)Nc4ccccc4)c3C)C2=O)cc1 2325477248 OWOJAJOSNGDILY-UHFFFAOYSA-N 429.472 5.027 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(Cl)cc2F)cc2c1C(=O)C(=Cc1ccccc1)O2 2325490332 CDPTVEQLMFRVMZ-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2325532634 WTYREKQRQRFOLT-UHFFFAOYSA-N 445.932 5.062 30 10 IKEE Cc1cc(OCC(=O)Nc2cccc(Cl)c2)cc2c1C(=O)C(=Cc1cccc(F)c1)O2 2325717165 GDHVRYJIYFSUCX-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)CCc3ccccc3OC)c2)cc1 2325739511 FGZZFGOJDJYNMJ-UHFFFAOYSA-N 444.527 5.918 30 10 IKEE COc1ccc(CCC(=O)Oc2cccc(C=CC(=O)c3ccc(OC)cc3OC)c2)cc1 2325761788 WJKLDOMSALOOEV-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE CCSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1ccccc1C 2325883209 QLAOHXCABVQOMD-UHFFFAOYSA-N 430.577 5.746 30 10 IKEE CCCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1cc(C)ccc1O 2326142015 NSPUDRYVIOVUDA-UHFFFAOYSA-N 444.988 5.526 30 10 IKEE CCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2326442674 BYRGJJBTSSQGOU-UHFFFAOYSA-N 429.933 5.193 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)cc2)n1N=Cc1ccc(Cl)c(Cl)c1 2329986321 XHRRLRSNUYQCOG-UHFFFAOYSA-N 431.392 6.035 30 10 IKEE CCc1ccc(C=Nn2c(Cc3ccc(C)cc3)nnc2SCCc2ccccc2)cc1 2330004170 DBAMMVHWEFUJLE-UHFFFAOYSA-N 440.616 5.957 30 10 IKEE Cc1ccc(CSc2nnc([C@H](C)c3ccccc3)n2N=Cc2ccc(Cl)cc2)cc1 2330052651 YNBSVFAHJFXTCU-LJQANCHMSA-N 447.007 6.566 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2)n1N=Cc1ccc(C(=O)O)cc1 2330103963 VHPOVTCGNOBORI-GOSISDBHSA-N 442.544 5.303 30 10 IKEE Fc1cccc(CSc2nnc(CC3CCCCC3)n2N=Cc2ccccc2F)c1 2330251757 RDLCAPWISNIRMH-UHFFFAOYSA-N 426.536 5.854 30 10 IKEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)Cc1cc(C)ccc1C 2330645647 DYYXUDRNMYJMTL-UHFFFAOYSA-N 445.471 5.264 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccccc3)n2N=Cc2ccccc2Cl)c1 2330672859 AMMIYKSMQYAZDF-UHFFFAOYSA-N 432.980 6.390 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Br)cc2)ccc1OC(=O)c1ccco1 2330894567 FEBMXUDDGHWADI-UHFFFAOYSA-N 427.250 5.166 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1Cl 2330919457 WZAXXBQFEIQPLE-UHFFFAOYSA-N 425.311 6.428 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCCC)nnc2[C@@H]2CCCO2)cc1OCC 2330977218 XAGSBTUYICTOHJ-IBGZPJMESA-N 432.590 5.092 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)c2ccc(C(F)(F)F)cc2)cc1 2331051704 DFWRSUMGXOPTQJ-UHFFFAOYSA-N 426.390 5.829 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3ccccc3Cl)nnc2-c2ccco2)c1 2331210442 FTPKUDDCKXXTSU-UHFFFAOYSA-N 438.940 5.765 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)c3cccc(Cl)c3)c([N+](=O)[O-])c2)c1 2331323043 XOQBLTOONHNUMM-UHFFFAOYSA-N 435.863 5.980 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)c1ccc(C)cc1 2331330731 DVGFSQXRYOSOCW-UHFFFAOYSA-N 438.882 6.220 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(C)c3)cc2Cl)cc1 2331336875 FXYIRXLRNZZTQW-UHFFFAOYSA-N 438.882 6.302 30 10 IKEE CC(C)Cc1nnc(SCc2ccccc2F)n1N=Cc1c(Cl)cccc1Cl 2331453921 ZFYPYJPBPMNTNU-UHFFFAOYSA-N 437.371 6.097 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1 2331592222 HTAFAUCJYWZLRW-UHFFFAOYSA-N 434.491 6.903 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)C(C)(C)C)c(OC)c2)c(OCC)c1 2331741109 SEICQWYIUOXSCK-UHFFFAOYSA-N 426.509 5.340 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)c(C)c1 2331764142 DZVUZOBHLRLJNK-UHFFFAOYSA-N 442.599 7.020 30 10 IKEE C=CC[C@H](CNC(C)(C)C)Cc1ccc(I)c(Br)c1 2349816757 NDAIHFPTTYBEEI-ZDUSSCGKSA-N 436.175 5.177 30 10 IKEE Cc1cc(Br)ccc1Sc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2365053644 LWPXLTJXLUZLLN-ZHACJKMWSA-N 432.192 5.948 30 10 IKEE Cc1cc(CNc2ccc(Cl)c(Br)c2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369675610 KDGQYCCFRZIHGU-UHFFFAOYSA-N 436.586 5.322 30 10 IKEE O=C1C(c2ccccc2)=C(c2ccccc2)[C@]2(c3ccccc3)C=NN[C@@]12c1ccccc1 1584198 PUVLZQLQKKEMNT-IHLOFXLRSA-N 426.519 5.603 30 10 IKEE O=C(Oc1ccc(/C=N/c2ccc(F)c(Cl)c2)cc1)c1ccc(Br)cc1 3116156 CSYHHNSIDQNLKY-WYMPLXKRSA-N 432.676 6.211 30 10 IKEE Cc1c(-n2cccc2)cc2c(c1/N=C/c1cc(Cl)cc(Cl)c1O)C(C)(C)CC2(C)C 8629796 YHJZIHIXZJCBGR-XODNFHPESA-N 441.402 7.508 30 10 IKEE C=CCn1c(COc2ccc(Cl)cc2C)nnc1SCC(=O)Nc1cccc(C)c1 14088893 IJHYNTRYJDBWIO-UHFFFAOYSA-N 442.972 5.044 30 10 IKEE CCn1c2ccccc2c2cc(NC(=O)/C=C/c3ccc(OCC#N)c(OC)c3)ccc21 15568296 LFJPMHOETGFQHN-UKTHLTGXSA-N 425.488 5.377 30 10 IKEE CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C)cc3)C2)[C@@H]1c1ccc(C)cc1 18151796 BLSOHRQWVXXHHO-IADCTJSHSA-N 436.555 6.224 30 10 IKEE CC(C)(C)[C@@H]1CCc2nc(SCc3ccccc3C#N)c(C#N)c(C(F)(F)F)c2C1 27751085 JPAFBPCTZXJVOR-MRXNPFEDSA-N 429.511 6.287 30 10 IKEE Cc1ccc(Sc2ccc(/C=C\C(=O)c3ccc(C(C)(C)C)cc3)cc2[N+](=O)[O-])cc1 33750389 LZMHAEJBDAGNDI-CHHVJCJISA-N 431.557 7.248 30 10 IKEE COc1cc([C@@H]2c3sc(O)nc3SC[C@H]2C=O)ccc1OCc1ccc(Cl)cc1 35531309 MJZKPHKXIPBTSD-KDOFPFPSSA-N 447.965 5.142 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCc4ccc(Cl)cc4Cl)ccc3C2=O)cc1 39754100 MXJYNYQTUBYLGS-YVNNLAQVSA-N 427.283 6.197 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1cn(C)c4ccccc14)C3=O)CN(Cc1cccs1)CO2 41588969 YZQUWAQLJWUGIV-KSEXSDGBSA-N 442.540 5.517 30 10 IKEE C=CCn1c([C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccco2)nc2ccc(OC)cc21 43255474 IJERZFBMIQRCEL-QFIPXVFZSA-N 440.503 5.019 30 10 IKEE C=C(C)COc1ccccc1NC(=O)CNc1cccc(NC(=O)CCc2ccccc2)c1 66091186 NAWOJNZIUBGJLO-UHFFFAOYSA-N 443.547 5.263 30 10 IKEE C=CCSC1=N/C(=C/c2ccc(OC)cc2OC)C(=O)N1c1ccc(F)c(Cl)c1 96449002 ZJUJBIUOAOEXMO-VCHYOVAHSA-N 432.904 5.159 30 10 IKEE CCCCCCCOc1ccc([C@H]2Nc3ccccc3C(=O)N2CCOC)cc1OC 100138311 DVTWOUNYSLGQJP-DEOSSOPVSA-N 426.557 5.257 30 10 IKEE C=CCN1C(=O)C[C@@H](C(=O)Nc2ccc(Cl)cc2)S/C1=N/c1cccc(Cl)c1 101232929 FGWAHUJFZHMURR-OVJLLXBISA-N 434.348 5.140 30 10 IKEE CCCCCCCCCCCCCCCC(=O)O[C@@H](c1ccccc1)[C@H](N)C(=O)OCC 106796047 OUVBUIRXQDERDF-UIOOFZCWSA-N 447.660 6.643 30 10 IKEE C=C(C)[C@H]1CC[C@@]2(C=O)CC[C@@]3(C)[C@@H](CC[C@H]4[C@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12 118917449 MHAVMNJPXLZEIG-VNLAKWDISA-N 438.696 7.412 30 10 IKEE CCCN1C(=S)N[C@@H](c2ccc(OCc3cccc(Cl)c3)cc2)C(C(C)=O)=C1C 169930105 QOPMXINYUDPQPS-QFIPXVFZSA-N 428.985 5.423 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccc(OC)c2)cc1 169936916 UUNPGUXRZRRIDT-XMMPIXPASA-N 427.500 5.349 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(O)c(Cl)c2)c1 170041396 JMQBGNTYLOLQDW-NRFANRHFSA-N 437.879 5.034 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2c[nH]c3ccccc23)ccc1F 170074065 PENXRVPBWJQBPX-QHCPKHFHSA-N 444.437 5.537 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@@H]1c1cccc(OC(C)C)c1 170153694 IMUYQTXQRJOMTG-QHCPKHFHSA-N 437.536 5.088 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccnc2)cc1C(C)(C)C 170188035 RWMBUBBIWAYMSD-QHCPKHFHSA-N 442.515 5.171 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccccc1)c1ccc2c(c1)CCCC2 170226809 CNTZADBGKFVAFL-XMMPIXPASA-N 443.930 6.002 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)cc(C)c3OC)[C@@H]2c2ccco2)c1 170278998 QFURWUKHKFSBFU-QFIPXVFZSA-N 447.487 5.087 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)c(C)c3)[C@H]2c2ccco2)cc1 170285393 ZFHURSQXHRSKAJ-HSZRJFAPSA-N 447.487 5.168 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccco2)c1 170285859 ZRQJRPQCAOKQIA-QHCPKHFHSA-N 431.488 5.468 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(C)o2)c1 170297711 WMZAXDBRPYMCNJ-QFIPXVFZSA-N 429.428 5.126 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccc(C)o2)cc1C(C)C 170301041 YAGSRAXUUQEQNV-QHCPKHFHSA-N 447.487 5.209 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2ccccc2O)o1 170301155 ZTYZWAGHFHVUPT-HSZRJFAPSA-N 425.440 5.230 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(OC)cc(OC)c2)cc1 170390135 PCCFZUAGMVJHFZ-XMMPIXPASA-N 443.499 5.049 30 10 IKEE CC(C)Oc1ccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2CCc2ccc(F)cc2)cc1 170474214 XWAOJXBIFJMORS-JOCHJYFZSA-N 439.527 5.166 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2nc3ccc(C(C)(C)C)cc3s2)[C@H]1c1cccnc1 170482023 HVUCDDKPLZXWSJ-NRFANRHFSA-N 449.576 5.504 30 10 IKEE CCOC(=O)CN1C(=S)N(c2ccccc2)C(=Nc2ccccc2)C1=Nc1ccccc1 252603969 FVUYCJKZSKFUJQ-UHFFFAOYSA-N 442.544 5.117 30 10 IKEE C/C(=N\Nc1nnc(SCc2ccc(C(C)(C)C)cc2)[nH]1)C12CC3CC(CC(C3)C1)C2 253574191 SGXPLZVLYDALOB-JVWAILMASA-N 437.657 6.399 30 10 IKEE CCCOc1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526488124 FLFJMBJPZWHATB-DEOSSOPVSA-N 428.463 5.543 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2sccc2C)cc1OC 526516130 NCORTBIESWXSRD-NRFANRHFSA-N 432.501 5.003 30 10 IKEE CC(C)Oc1ccccc1[C@@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1cccc(Cl)c1 526710706 RYTKPNDRJBUYJY-HSZRJFAPSA-N 447.918 5.910 30 10 IKEE CCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1cccc([N+](=O)[O-])c1 526805308 DGPSELNWXGSZAT-IWIPYMOSSA-N 437.569 5.611 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3)n2/N=C\c2cccc(F)c2)c1 526818898 GGVRQIVTOLMDJR-QRQIAZFYSA-N 444.579 5.994 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccccc1OC 526821657 DSIHXKPAILGNNB-ONUIUJJFSA-N 430.577 5.957 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@H](NC(=O)c3ccccc3Cl)C2)c1 586004282 GXVPBROUJVHNCK-FQEVSTJZSA-N 439.987 5.212 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCCc2sccc21 698450787 GXCWCNIUPWEPPA-HXUWFJFHSA-N 433.371 6.007 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCc2c(F)cccc21 698481255 FOJUFSXMJFETBH-OAQYLSRUSA-N 431.305 5.695 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 698830381 VHCMTNRAZQTSDT-MWTRTKDXSA-N 433.524 5.106 30 10 IKEE CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)C1=CCCCCCC1 708573308 YGZBHNQKJPWDMC-LJQANCHMSA-N 436.390 5.735 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@@]1(C#N)CCc2c(Br)cccc21 710810837 CNHSZLJQONEZQB-OAQYLSRUSA-N 431.305 5.695 30 10 IKEE COc1ccc(Cl)cc1NC(=S)/C(=C(/O)c1ccc(C#N)cc1)[n+]1ccc(C)cc1 792568124 CVUHGOHIBQXTFE-UHFFFAOYSA-O 436.944 5.140 30 10 IKEE Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2cc(C)n(-c3ccc(F)cc3)c2C)S1 1084212083 MGVLEFXSEMOPFK-CIAFOILYSA-N 439.943 6.087 30 10 IKEE Cc1ccccc1NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 1084316462 ZNIFLTJNNFVAQL-UHFFFAOYSA-N 438.300 5.260 30 10 IKEE Cc1ccc(C(=O)C[C@H]2SC(=Nc3ccc(O)cc3)N(c3ccc(O)cc3)C2=O)cc1C 1772759835 ABQCZJJMDXUSNV-HSZRJFAPSA-N 446.528 5.124 30 10 IKEE N#Cc1c(NC(=O)CCCSc2ccccc2)oc(-c2ccccc2)c1-c1ccccc1 1859760516 HXSWVYKOVBMQOR-UHFFFAOYSA-N 438.552 6.996 30 10 IKEE C=CCN(C(=O)CC(c1ccccc1)c1ccccc1)C1CCN(Cc2ccccc2)CC1 1860027787 ITYDCTNKWCOQSQ-UHFFFAOYSA-N 438.615 5.888 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)CCCOc1ccc(OC)cc1 1861719810 DPMCULYUVBERJW-SANMLTNESA-N 448.648 5.396 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(Cl)cc1 1862385697 VRQKIDPNHMDPFW-ZMZPIMSZSA-N 438.738 6.024 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@@H]2c2ccc(F)cc2F)cc1 1862395798 YTLHWRBIYLPXIL-JOCHJYFZSA-N 427.491 5.686 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccc(F)cc2)cc1C 1862402482 ZRIUTWGNGJYBEJ-DEOSSOPVSA-N 449.522 5.612 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(Cl)cc1Cl 1862416632 QRQMQMDBRWDGLX-XTZNXHDOSA-N 440.273 5.648 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccccc1C 1862429424 MQXUKUIBTXJIFZ-JOCHJYFZSA-N 441.955 5.434 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1cccc(Cl)c1)c1cccc(Cl)c1 1862446598 WJLNQTTZJJVRMI-NRFANRHFSA-N 438.310 5.772 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(C(C)(C)C)cc1 1862505014 IKVRAIOIDHKFMD-HSZRJFAPSA-N 437.555 6.200 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2cccc(Cl)c2)cc1 1862535759 KCOWTTZDYABHEP-QFIPXVFZSA-N 432.907 5.076 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccccc2F)cc1F 1862639310 VQHIHICELHWXLA-JSVDNDDVSA-N 441.474 5.130 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@H]2c2ccccc2)cc1 1862660100 HSLPTQMXYCSVOA-DEOSSOPVSA-N 445.946 6.242 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccccc1Cl 1862661802 SELWJPXCLLONIW-QHCPKHFHSA-N 439.983 6.622 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 1862662797 LELZEJGLVYASGG-VWLOTQADSA-N 440.543 5.546 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@@H]2c2ccccc2C)cc1 1862687030 GAQBPOVMJARCCT-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2C2CCCCC2)c1 1862696082 MRZCDRUEWLOMNK-DEOSSOPVSA-N 449.547 5.395 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(N(C)C)cc1 1862714510 KTTBPHYTSPYDBO-OSPHWJPCSA-N 428.532 5.283 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(F)ccc2F)=C(c2ccc(C)cc2)C1=O 1863272005 KYGSXLUDAPVKCL-UHFFFAOYSA-N 426.507 5.826 30 10 IKEE Cc1cc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(C3CCCCCCC3)C2=O)ccc1F 1863460773 DMDQVAASTGTOCX-UHFFFAOYSA-N 431.511 5.311 30 10 IKEE C=CCN1C(=O)C(N[C@H](C)c2ccc3c(c2)CCCC3)=C(c2cccc3ccccc23)C1=O 1863583019 JAJMCIUCIQGTQS-LJQANCHMSA-N 436.555 5.335 30 10 IKEE CCCCCCCCNC1=C(c2ccc(C)cc2)C(=O)N(CCCOCCCC)C1=O 1863619574 CUMVUMWJOGAIPF-UHFFFAOYSA-N 428.617 5.232 30 10 IKEE CCCCCCCCNC1=C(c2ccc(OC)cc2)C(=O)N([C@@H](C)c2ccccc2)C1=O 1863675276 XGFYABSPFVQSNO-FQEVSTJZSA-N 434.580 5.486 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2OC)C(=O)N(Cc2ccccn2)C1=O 1863760853 SJWRLBUUSXWGHY-UHFFFAOYSA-N 449.595 5.101 30 10 IKEE CCCCCCCCN1C(=O)C(NCCc2ccccc2)=C(c2ccccc2Cl)C1=O 1863778194 DAMLSTZHLURYRD-UHFFFAOYSA-N 438.999 5.613 30 10 IKEE CCCC[C@H](NC(=O)[C@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccccc1C#N 1866964417 VIPJOODVMUHWSX-DQEYMECFSA-N 433.596 5.735 30 10 IKEE CC(C)c1nc(Nc2ccccc2C#N)cc(N2CCC(Oc3ccc(Cl)cc3)CC2)n1 1868238747 VIMSERCVPMFADR-UHFFFAOYSA-N 447.970 5.916 30 10 IKEE C=CCn1cc(OCc2ccc(F)cc2)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870169539 LRVTZDDZLLYSSG-UHFFFAOYSA-N 449.551 5.237 30 10 IKEE CCCCCCCCn1cc(OCCCCCCC)c(=O)cc1CN1CCC(O)CC1 1870412902 MUTBPZDORVPFPT-UHFFFAOYSA-N 434.665 5.515 30 10 IKEE C=CCn1cc(OCc2c(C)cc(C)cc2C)c(=O)cc1CNc1ccc(Cl)cc1C 1870802892 OVKSNRJOGPTQGH-UHFFFAOYSA-N 436.983 6.112 30 10 IKEE C=CCn1cc(OCCOC(C)C)c(=O)cc1CNc1cc(C(C)C)cc(C(C)C)c1 1870986577 CUTSSUGNWAOLGY-UHFFFAOYSA-N 426.601 5.697 30 10 IKEE CC(C)Cn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1cccc(C(C)(C)C)c1 1871251447 FPWFEWHABVPOTK-UHFFFAOYSA-N 443.591 5.865 30 10 IKEE CCc1ccc([C@H](C)N2COc3cc(C)c4c(c3C2)O/C(=C\c2cccc(C)c2)C4=O)cc1 1871354147 IOIKWQKQSJTKQR-YIRYVTQCSA-N 439.555 6.395 30 10 IKEE Cc1cc(OC(=O)c2ccc3nc(C)c(C)nc3c2)cc2c1C(=O)/C(=C/c1ccccc1)O2 1871379759 YUPFQJOEAYOBBG-MSXFZWOLSA-N 436.467 5.390 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)/C=C/c4cccs4)c3C)C2=O)c(OC)c1 1871380736 FCJIJRWNEJZCDX-YAWPGIFISA-N 448.496 5.309 30 10 IKEE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1 1871388394 SZLFIPDDWDLZGE-QRVIBDJDSA-N 445.427 5.217 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccccc2C)C3=O)cc1 1871412659 YGPSQDAYEQXTRO-BEXDPUPVSA-N 443.499 5.334 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871453544 DKQORCBPGBAWQB-MYYYXRDXSA-N 441.527 6.061 30 10 IKEE COc1ccccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccccc1Cl)C2=O 1871458140 BDLFJVXTDDARGD-XKZIYDEJSA-N 449.890 5.291 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(Cl)c(C)c2)[nH]c(N2CCC[C@H](C)C2)n1 1871664003 WLCQOSIVHQDYFS-SFHVURJKSA-N 445.055 6.008 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(F)cc1 1871892156 MBVOVFYUMIJGDL-HSZRJFAPSA-N 446.588 5.063 30 10 IKEE C=CCN([C@H](C(=O)Nc1cccc(C)c1)[C@@H](C)CC)S(=O)(=O)c1c(C)cc(C)cc1C 1872268137 QIDYWQSCMPCZQQ-CVDCTZTESA-N 442.625 5.150 30 10 IKEE C=CCN([C@@H](CC(C)C)C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)S(=O)(=O)CCC 1872324810 OXIZVWKTSWRCRZ-QHCPKHFHSA-N 436.662 5.514 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(C)c(C)c1 1872407831 OBSVJFBAWZMRAA-XMMPIXPASA-N 442.625 5.232 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1 1872497586 DRIGPONLRNYQFP-NRFANRHFSA-N 434.989 5.023 30 10 IKEE CC(C)COc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 1872762256 HKOQJIGPDKTAKG-GOSISDBHSA-N 445.371 6.642 30 10 IKEE CC(=O)Oc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 1872762350 KDPKVMABJOAHNO-INIZCTEOSA-N 431.300 5.532 30 10 IKEE N#C[C@@H](C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872762742 VQMQCZLYQQUHBF-ICFOYXHFSA-N 444.299 5.915 30 10 IKEE N#C[C@H](C(=O)Cc1ccccc1Cl)c1nc(-c2cccc(Br)c2)cs1 1872764525 OYFCZXATUNYBED-OAHLLOKOSA-N 431.742 5.645 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)[C@@H](C#N)c1nc(-c2ccccc2Cl)cs1 1872764775 XQHMPNCSDJLFFY-LLVKDONJSA-N 437.735 6.269 30 10 IKEE COc1ccccc1-c1csc([C@@H](C#N)C(=O)CCCOc2ccccc2Cl)n1 1872767340 QUWARXCWZRBLQR-INIZCTEOSA-N 426.925 5.508 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4nc(C)c(C)nc4c3)n2)cc1F 1872774747 AVGHZDJNQLHLFX-INIZCTEOSA-N 432.480 5.008 30 10 IKEE N#C[C@H](C(=O)c1c(F)cccc1Cl)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872778027 BRLKYISRRJLCSE-GOSISDBHSA-N 448.906 6.885 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)c2cccc(OCC(C)C)c2)n1 1872785360 LHJVBDZOQFLIHF-HSZRJFAPSA-N 446.616 6.941 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)c2ccc(C(C)(C)C)cc2)n1 1872785915 BUDGHZSGZLZALS-LJQANCHMSA-N 438.980 6.568 30 10 IKEE CCCn1c(SCc2cccc(C(=O)Nc3ccc(C#N)cc3)c2)nc2ccccc21 1872891643 IWAOVRCBTZXFLP-UHFFFAOYSA-N 426.545 5.863 30 10 IKEE C=CCn1c(C(=O)NCc2ccc(F)cc2)cc2c(N(CCCC)CCCC)ncnc21 1873594010 KYYDRKVDANGPNW-UHFFFAOYSA-N 437.563 5.093 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc3nc[nH]c3c1)n2CC 1873620135 VOKYWFURAZUNJU-UHFFFAOYSA-N 433.560 5.352 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(O)cc1 1874204173 NAJQLUDVGZSAKG-AUEPDCJTSA-N 449.363 5.420 30 10 IKEE CCOc1ccc(OCc2nnc(SCc3ccccc3C)n2/N=C/c2ccco2)cc1 1874235039 OATUWYDDMCUXPH-MFKUBSTISA-N 448.548 5.332 30 10 IKEE Cc1ccccc1CSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccccc1 1874266129 HNTVQVVZLNEIFM-CVKSISIWSA-N 448.979 5.993 30 10 IKEE C=CCSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1ccc(N(CC)CC)cc1 1874359479 JBAWWCDTAGWFDR-NLRVBDNBSA-N 433.625 5.492 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2ccccc2)nnc1[C@@H](C)c1ccccc1 1874395750 UVGVOHYCYKYODV-OJWZXOLNSA-N 428.561 5.613 30 10 IKEE Oc1ccc(Cl)cc1/C=N/n1c(Cc2cccs2)nnc1SCc1ccccc1 1874412402 MSGWRUHRHLABAX-YDZHTSKRSA-N 440.981 5.464 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2cccc(C)c2)nnc1-c1ccccc1 1874426983 LBRFFSBIRORNPQ-OVVQPSECSA-N 442.588 6.217 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccccc3F)nnc2-c2ccccc2)c(OC)c1 1874428277 APCRYZKRMSFAHJ-CVKSISIWSA-N 448.523 5.276 30 10 IKEE Cc1ccsc1/C=N/n1c(SCc2cccc3ccccc23)nnc1-c1ccccc1 1874429567 PROAWWIZLZVOCJ-WGOQTCKBSA-N 440.597 6.643 30 10 IKEE Clc1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2cccc(Cl)c2)cc1 1874456176 FDYYMPGQVQJDSP-ZMOGYAJESA-N 431.392 6.417 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C2CCCC2)cc1 1874459057 VDASQHZCXAFPEP-DHRITJCHSA-N 428.964 6.211 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccco3)n2/N=C/c2ccccc2Cl)cc1 1874467677 VWDRLYOMOSQEKC-FSJBWODESA-N 429.332 6.019 30 10 IKEE CCCCc1nnc(SCCc2ccccc2)n1/N=C/c1ccc(Cl)cc1Cl 1874478713 ODGBMTAUPITNRM-BUVRLJJBSA-N 433.408 6.145 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc2c(c1)OCCO2 1874479774 QMBNLZSTDCMAID-ZVHZXABRSA-N 442.972 5.220 30 10 IKEE CCOc1cc(/C=N/n2c(SC)nnc2C(C)(C)C)ccc1OCc1ccccc1C 1874480727 JHWHOZMAPZOHRC-MFKUBSTISA-N 438.597 5.466 30 10 IKEE COCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccc(F)cc1 1874502380 FDDMOUWJCVLVJJ-LSFURLLWSA-N 425.316 5.045 30 10 IKEE O=C(/C=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccccc1Cl 1874575018 QPVKQNKYGZUIJG-CCEZHUSRSA-N 433.334 7.622 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2cc(C)ccc2C)c(OC)c1 1874588276 YLZDHBCULPHNNK-YRNVUSSQSA-N 436.935 6.449 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc1OCc1ccccc1C 1874597882 JDIWEEDQGNNBHR-SDNWHVSQSA-N 444.571 6.785 30 10 IKEE Cc1cccc(COc2ccc(/C=C/C(=O)c3cccc(Br)c3)cc2Cl)c1 1874609971 UKJAPODSIGPSKT-CSKARUKUSA-N 441.752 6.886 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(OC)c1OCc1ccccc1F 1874613137 FAANOSOSPUOITQ-KPKJPENVSA-N 426.871 5.971 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OC(=O)COc1cccc(C)c1C 1874701425 RXLIDNLORIQUKB-JLHYYAGUSA-N 444.527 5.809 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC(=O)c2cccc(Cl)c2)c1 1874715756 KQTFURRZZQKBQD-WYMLVPIESA-N 432.947 7.061 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cc4ccccc4n3C)c2)cc1Cl 1874716648 BMNSXNUGLDHBCL-ZRDIBKRKSA-N 445.902 5.956 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 1875085221 VQFVFHKTGQXZHV-XNTDXEJSSA-N 431.444 5.038 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)c(C)c3)c(Cl)c2)cc1 1875106722 IBSUOLDKAXFQTD-XNTDXEJSSA-N 446.974 7.415 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 1875117000 DEJUBPJVGZCSNR-FRKPEAEDSA-N 431.444 5.038 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccnc2)c(Br)c1)c1cccc(Cl)c1 1875121371 MFJZPOAUOAYAAM-SOFGYWHQSA-N 442.696 5.613 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(F)cc1F 1875121974 ORAOJMOYJAWIRO-UXBLZVDNSA-N 442.845 6.132 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)Cc1ccccc1 1875132225 LOJNJNAXYJRPPZ-YRNVUSSQSA-N 441.310 6.046 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)c1sccc1C 1875140855 BDJCECDSHADBGR-QPJJXVBHSA-N 444.911 6.281 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)ccc1OC(=O)c1cccc(C)c1 1875152293 RDLMWOJXNDACBO-DHZHZOJOSA-N 434.463 5.657 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1)c1ccc(Cl)c(Cl)c1 1875153939 GIAIOMMCRICNBC-XNTDXEJSSA-N 447.317 7.262 30 10 IKEE COc1ccc(C(=O)Oc2c(Cl)cc(/C=C/C(=O)c3ccc(F)cc3)cc2OC)cc1 1875157621 GJURFOBWCCPCCU-KGVSQERTSA-N 440.854 5.612 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1 1875169782 SACGZXDPBWNWIY-NTCAYCPXSA-N 444.527 5.755 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3F)cc2)c1 1875171890 RXHANMTUHBAACH-RVDMUPIBSA-N 434.463 5.738 30 10 IKEE CCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(OC)c(Cl)cc2OC)cc1OCC 1875173949 TXJFVWCKZAMJJG-CSKARUKUSA-N 432.900 5.358 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2ccc(C)c(C)c2)cc1 1875179556 POYMSHXQRCEOBC-FMIVXFBMSA-N 448.946 6.318 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(C)cc2)c(Cl)c1 1875192759 ANTSEOIVUKGPSS-BJMVGYQFSA-N 441.310 6.426 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)[C@H](C)c3ccc(CC(C)C)cc3)cc21 1890677351 KLDGTJZJKDLGEM-LJQANCHMSA-N 434.580 5.565 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3nc(-c4cccs4)cs3)ccc21 1891395910 KREGGMOWFCZXAK-UHFFFAOYSA-N 439.562 5.062 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CC1(N(C)C(=O)OC(C)(C)C)CCCCC1)NCC 1922106197 AQSSAEPOZYPYFU-HSZRJFAPSA-N 430.633 5.697 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]2CCCCN2C(=O)OC(C)(C)C)c1 1944734958 DLAZFVJIOCVMCJ-WOJBJXKFSA-N 429.561 5.418 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1CCN(C(=O)OC(C)(C)C)C2(CC2)C1 1949347481 GKCCUDVQIXNJFX-XZOQPEGZSA-N 428.617 5.307 30 10 IKEE N#Cc1csc([C@@H](CCNC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)O)c1 1952157024 GEOIUWBKNGGSRD-KRWDZBQOSA-N 446.528 5.107 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1C[C@]2(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1953300257 XXFVVEBFILEUGR-PBQROFAYSA-N 441.572 5.009 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CC1CC2(C1)CN(C(=O)OC(C)(C)C)C2)NCCC 2001190472 KPXRGCBKZYYMKK-HSZRJFAPSA-N 428.617 5.165 30 10 IKEE CN(CCC[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1)C(=O)OC(C)(C)C 2002696607 QEXMHXZAMFHTKD-HSZRJFAPSA-N 435.540 5.497 30 10 IKEE COc1cc(C)ccc1C(=O)C=Cc1csc(N(C(C)=O)c2ccc(F)cc2F)n1 2040489417 LOCQZOXURFYCBK-UHFFFAOYSA-N 428.460 5.319 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CN(C(=O)OC(C)(C)C)CC12CCCC2 2054785275 ACTQMRNXEKDBAH-RPWUZVMVSA-N 442.644 5.555 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)[C@H]2CC[C@@H]21 2057587409 WJDVHWQQVUFJLM-AXHZCLLHSA-N 445.535 5.249 30 10 IKEE C#CCCCCCCCCCCCCNC(=O)OCC1c2ccccc2-c2ccccc21 2060432619 MYHYQXYAGIJIRS-UHFFFAOYSA-N 431.620 7.449 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCN(C(=O)OC(C)(C)C)C[C@H]1C 2070605723 RJVHENNEUJSUPC-CLOONOSVSA-N 443.588 5.666 30 10 IKEE Cc1ccc([C@H](C(C)C)n2nc(C3(C)CC3)c(C#N)c2I)c(C)c1 2079042725 PCFRXVSZBLUGBJ-KRWDZBQOSA-N 433.337 5.273 30 10 IKEE CC[C@H](c1ccc(C(F)(F)F)cc1F)n1nc(C2(C)CC2)c(C#N)c1Br 2079933771 JGJXNFYTEHNLEL-CQSZACIVSA-N 430.243 5.726 30 10 IKEE N#Cc1ccc(Br)cc1NCc1c(Br)cccc1Br 2094101318 BTSKCPIQOLXPPV-UHFFFAOYSA-N 444.952 5.458 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)C2(C#N)[C@H]3CC[C@H]2CN(Cc2ccccc2)C3)cc1 2099266408 PKXUNPLDDSRXJS-VXKWHMMOSA-N 447.579 5.241 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C#N)(Cc1ncc(Br)cc1Cl)C2 2127208163 UUCKWKAGCWWOHY-KBPBESRZSA-N 440.769 5.112 30 10 IKEE N#C[C@@H](C(=O)c1cscc1OCc1ccccc1)c1ccc(F)cc1Br 2128736337 GSMPTEPLGSKPNW-MRXNPFEDSA-N 430.298 5.719 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1cccn2ccnc12 2151635938 JMMRHGNBJOTDPX-QGZVFWFLSA-N 427.302 5.103 30 10 IKEE C#CC[C@H](CN(CCCNC(=O)OC(C)(C)C)c1cccc(Br)c1)C1CC1 2196731171 FFLUDQSVLCUTGJ-GOSISDBHSA-N 435.406 5.220 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](O)c1sc(C)c(Br)c1C 2226504964 JKCDKIFQMONLTK-PMACEKPBSA-N 438.431 5.302 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)CC[C@H](C)CNC(=O)OC(C)(C)C 2235747873 UHHJPPUEXRKHRZ-HKUYNNGSSA-N 437.422 5.110 30 10 IKEE C=CCCC1([C@@H](NCCC)c2ccncc2Br)CN(C(=O)OC(C)(C)C)C1 2281054859 BMTAFMAHHGVDSL-SFHVURJKSA-N 438.410 5.088 30 10 IKEE COc1cccc(C=C2SC(=Nc3ccc(C)cc3)N(CCc3ccccc3)C2=O)c1 2293603143 RZNALYVPKBLOEL-UHFFFAOYSA-N 428.557 5.850 30 10 IKEE Cc1ccc(N=C2SC(=C3Sc4ccccc4N3C)C(=O)N2c2cccc(C)c2)cc1 2295178774 YVQQMXWUYNEEDA-UHFFFAOYSA-N 443.597 6.482 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1Cl)C2=O 2296865808 IPTDFEOIBFRHDS-UHFFFAOYSA-N 425.267 6.137 30 10 IKEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2cccc(Cl)c2)cc1 2297056928 AIPXHOOUQFXYBZ-IBGZPJMESA-N 438.936 5.348 30 10 IKEE CCOC1=CC(=C2C=CC(=O)C(OC)=C2)C=C(Nc2ccc(C)cc2)c2c(C)oc(C)c21 2297469586 OYFFFEZXIFESOA-UHFFFAOYSA-N 429.516 6.015 30 10 IKEE O=C1C(=Cc2ccccc2F)Oc2cc(OCc3ccc(Br)cc3)ccc21 2314438192 KWZSDTCXZGDMIG-UHFFFAOYSA-N 425.253 5.783 30 10 IKEE COc1cc(C=NNc2ccc([N+](=O)[O-])cc2)ccc1OCc1c(Cl)cccc1Cl 2318413821 WQWNDBZURBFGSP-UHFFFAOYSA-N 446.290 5.935 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2321296835 HRAVUSKTUCLIAW-MOPGFXCFSA-N 445.535 5.249 30 10 IKEE Sc1nnc(Cc2ccccc2)n1N=Cc1cccc(OCc2cccc(Cl)c2)c1 2321883939 LXKDDLBCEUPBCD-UHFFFAOYSA-N 434.952 5.272 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccccc1Cl)C3=O)CN([C@@H](C)c1ccccc1)CO2 2322371285 OMKXEASLLQZLOX-KRWDZBQOSA-N 431.919 6.178 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(Cl)ccc1OCc1cccc(Cl)c1 2322646527 LRBHYLQUKNIMOD-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE COc1cc(Br)cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)c1OCCCO 2322687584 OOSSIGOVLCPJKE-UHFFFAOYSA-N 447.369 5.413 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C(C)C)cc2)c1OCC(=O)Nc1ccc(F)cc1 2322738123 QLDUNLCBIUFGSB-UHFFFAOYSA-N 447.506 5.871 30 10 IKEE O=C(COc1ccc2ccccc2c1C=CC(=O)c1ccc(F)c(F)c1)NCc1ccco1 2322781627 FZQBXCOZGRSLEJ-UHFFFAOYSA-N 447.437 5.302 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC)c2OCc2ccccc2F)cc1C(C)C 2322801292 TVLHQHWLSWWVKZ-UHFFFAOYSA-N 448.534 6.750 30 10 IKEE COc1cccc(C=CC(=O)c2cc(Cl)cc(C)c2OC)c1OCc1ccccc1C 2322942040 UWMVRBXADJCNSL-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE CC(=O)Nc1cccc(C(=O)Oc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)c1 2322953411 RYHGPJSGTQZVEX-UHFFFAOYSA-N 425.440 5.037 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OC(=O)C=Cc3ccc(F)cc3)cc(C)c2C1=O 2323046809 XROHUWNULQCGFW-UHFFFAOYSA-N 444.458 5.768 30 10 IKEE Cc1ccc(OCC(=O)Oc2cc(C)c3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1 2323201672 ZSJMFMJMBDIDAM-UHFFFAOYSA-N 426.468 5.460 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1Cl)NCc1ccco1 2323396501 QPCLUIDMHDFRKD-UHFFFAOYSA-N 445.902 5.678 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)ccc1OCC(=O)OCC(C)C 2323532672 DLZLIJLDCGIGDE-UHFFFAOYSA-N 437.319 5.476 30 10 IKEE Cc1cc(OC(=O)c2c(Cl)ccc(Cl)c2Cl)cc2c1C(=O)C(=Cc1ccco1)O2 2323656115 FGVCKUAKETWAFS-UHFFFAOYSA-N 449.673 6.384 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OCc2ccc(C)cc2)c(Br)c1 2323701923 JTKPLROWZSHALG-UHFFFAOYSA-N 437.333 6.241 30 10 IKEE Cc1ccc(-c2csc(NN=Cc3cc(Cl)c(OCC(C)C)c(Cl)c3)n2)cc1 2323858612 SGCGRVCHYAEAQX-UHFFFAOYSA-N 434.392 6.906 30 10 IKEE COc1c(Cl)cc(C=NNc2nc(-c3ccc(F)cc3)cs2)c(OC)c1Cl 2323870956 ZLWXXUZGKXZYMP-UHFFFAOYSA-N 426.300 5.719 30 10 IKEE Cc1cc(OCCCc2ccccc2)cc2c1C(=O)C(=Cc1cccc(Br)c1)O2 2324269512 KRRLKHMAHBGJDE-UHFFFAOYSA-N 449.344 6.385 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(C(C)(C)C)cc3)n2)cc1 2324505068 ZDACGXGZDOZMJT-JOCHJYFZSA-N 430.573 6.396 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(O[C@@H](C)C(=O)Nc4cccc(C)c4C)c3C)C2=O)c1 2324505460 AIUHOHBOOPFSLL-FQEVSTJZSA-N 441.527 5.942 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 2324505678 IOIKGXIYLYNBSZ-UHFFFAOYSA-N 437.879 6.040 30 10 IKEE Cc1cccc(OCCCCOc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)c1 2324567951 OYNBDGOUDVBDHY-UHFFFAOYSA-N 434.919 6.503 30 10 IKEE Cc1c(OCCCCOc2ccccc2)ccc2c1OC(=Cc1ccc(Cl)cc1)C2=O 2324584871 IQNJKNXHUNMRNC-UHFFFAOYSA-N 434.919 6.503 30 10 IKEE COc1c(Cl)cc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(F)cc3)n2)cc1Cl 2324803811 FHZPJLHMOUZCSX-HNNXBMFYSA-N 447.318 6.154 30 10 IKEE COc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccc(C)cc3C)cc(C)c2C1=O 2324890761 DMIIDSXXSSWSPS-UHFFFAOYSA-N 443.499 5.254 30 10 IKEE COC(=O)c1ccc(COc2cc(C)c3c(c2)OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)o1 2325382766 SOLJJEMAFPDEPF-UHFFFAOYSA-N 446.499 5.867 30 10 IKEE CCCOc1ccc(C=Nn2c(CCC)nnc2SCc2cccc(Cl)c2)cc1 2325571489 GSJJLJHDLQRONF-UHFFFAOYSA-N 428.989 5.847 30 10 IKEE Cc1cc(OCCN2CCCC2)cc2c1C(=O)C(=Cc1ccc(-c3ccccc3)cc1)O2 2325669404 JRTCAYNCSLUENA-UHFFFAOYSA-N 425.528 5.753 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(F)c(F)c3F)c2)cc1OC 2325703682 ZFXJONPBMGHGLC-UHFFFAOYSA-N 442.389 5.236 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1cccc(C=CC(=O)c2ccccc2Cl)c1 2325717683 OZZOGISIQTXVDU-UHFFFAOYSA-N 436.891 5.619 30 10 IKEE Cc1cc(OCC(=O)Nc2ccccc2C(C)C)cc2c1C(=O)C(=Cc1ccccc1F)O2 2325726243 JTNXMAYUZYACIT-UHFFFAOYSA-N 445.490 5.891 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cccc(OC(=O)CCCOc3ccc(Cl)cc3)c2)c1 2325740679 YJDPKSLMVJIBLW-UHFFFAOYSA-N 448.946 6.618 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2cccc(OC(=O)CCCOc3ccccc3)c2)c1C 2325756775 ODAXMNQZVOTLRR-UHFFFAOYSA-N 442.555 6.581 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OC(=O)COCc1ccccc1 2325760069 ZKPCOIOQPRDFSB-UHFFFAOYSA-N 430.500 5.330 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1OC(=O)C1CCC1 2325766372 WIMAXWXFQZKDKA-UHFFFAOYSA-N 435.303 5.612 30 10 IKEE CCCOc1ccccc1C=Nn1c(CCCOc2ccc(Cl)cc2)nnc1SC 2325974672 AUZRXTLUIXBYLV-UHFFFAOYSA-N 444.988 5.336 30 10 IKEE CCCOc1cccc(C=Nn2c(COc3cc(C)c(Cl)c(C)c3)nnc2SC)c1 2326094547 PTXNDIRVPYEGOG-UHFFFAOYSA-N 444.988 5.520 30 10 IKEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@@H](C2CCC2)C1 2326266078 ZUKHAABETLJKFT-GJZUVCINSA-N 442.600 5.088 30 10 IKEE CCCOc1ccccc1C=Nn1c(COc2ccc(Cl)c(C)c2)nnc1SCC 2326514696 ZJDLCTVMERATPW-UHFFFAOYSA-N 444.988 5.602 30 10 IKEE CCOc1ccccc1OCc1nnc(SCCc2ccccc2)n1N=Cc1ccco1 2326838832 DHEYRIQGVQKOTL-UHFFFAOYSA-N 448.548 5.066 30 10 IKEE CCSc1nnc(CCCOc2ccccc2C)n1N=Cc1c(Cl)cccc1Cl 2327082653 CAUFCBFUSXGVCT-UHFFFAOYSA-N 449.407 5.899 30 10 IKEE COc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2ccc(C)cc2)cc1 2328386501 GDVKCMWEUCOQNV-UHFFFAOYSA-N 444.560 5.349 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2)n1N=Cc1ccc(C(C)(C)C)cc1 2328745102 ZJNHJQQNXSEMDS-UHFFFAOYSA-N 448.636 6.138 30 10 IKEE Cc1cccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCc2cccc(C)c2)c1 2329816371 KOPRUHDRBMIKKY-UHFFFAOYSA-N 430.552 5.799 30 10 IKEE C=C(C)CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1cc(Cl)c(O)c(OC)c1 2330101826 WTPLMKIHIZWHIZ-HNNXBMFYSA-N 442.972 5.348 30 10 IKEE Cc1ccc(O)c(C=Nn2c(CCc3ccccc3)nnc2SCc2ccccc2)c1 2330196887 STIGQZICCTVUBX-UHFFFAOYSA-N 428.561 5.252 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2cccc(C)c2)nnc1-c1cccs1 2330551726 NELWREQWCBEOES-UHFFFAOYSA-N 448.617 6.278 30 10 IKEE C(=Nn1c(SCCc2ccccc2)nnc1-c1cccs1)c1cccc2ccccc12 2330586572 USJHJWJDENOKGE-UHFFFAOYSA-N 440.597 6.377 30 10 IKEE Clc1cccc(CSc2nnc(-c3cccs3)n2N=Cc2ccccc2Cl)c1 2330607515 HYFMPIMYWFLTGA-UHFFFAOYSA-N 445.400 6.488 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3ccccc3)cc2)cc1OC 2330707351 XBIDDXLWWRILRR-UHFFFAOYSA-N 446.499 5.365 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 2330742386 XWSIOQPMARRTIA-UHFFFAOYSA-N 425.311 6.671 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)c(Cl)c2)cc1 2330747621 SHHIEKNWCBVBLM-UHFFFAOYSA-N 448.990 6.920 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc(F)cc1F 2330944326 LSMKJSAJNLEDQV-UHFFFAOYSA-N 442.845 6.132 30 10 IKEE Oc1cccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C2CCCC2)c1 2331081539 XJKMSLUUNPHJAT-UHFFFAOYSA-N 447.391 6.123 30 10 IKEE C[C@H](C(=O)Oc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-])c1ccccc1 2331129101 KIOZHPAEXKJFEB-INIZCTEOSA-N 435.863 5.853 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C(F)(F)F)cc1 2331155221 ACXXUKBGJLVDNV-UHFFFAOYSA-N 438.906 6.248 30 10 IKEE FC(F)(F)c1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1cccnc1 2331156638 QHJUJNHVOFYKKV-UHFFFAOYSA-N 432.258 5.173 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)c1ccc(Cl)cc1 2331183062 GYTIIRVLCDDWLM-UHFFFAOYSA-N 432.903 6.192 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccco3)n2N=Cc2cccc3ccccc23)cc1 2331224289 GMTRDZWOWQQIKZ-UHFFFAOYSA-N 444.947 6.519 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)Cc1ccccc1 2331430480 YWNMFGOTEZZFDD-UHFFFAOYSA-N 428.528 6.037 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2ccc(Cl)cc2)c(C)c1 2331712783 KKBFTLSBSSCGBT-UHFFFAOYSA-N 441.988 5.285 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)Cc1ccc(Cl)cc1 2331712812 OPNKTJPLGOWMSQ-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C(C)C)c1 2331716340 SPQGUZAXNOAVLS-UHFFFAOYSA-N 446.979 6.157 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3Cl)cc2)c2ccccc12 2331864376 VQVQJBZMBDTUHD-UHFFFAOYSA-N 442.898 6.617 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NC)c2cc(Cl)cc(Br)c2F)C1 2337099754 YJNYGQCAFKHKBP-INIZCTEOSA-N 447.776 5.363 30 10 IKEE CCCOc1ccccc1/C=N\n1c(C)nnc1SCc1ccc(Br)cc1 2611281 IQBQQMCAXKVOLI-XKZIYDEJSA-N 445.386 5.312 30 10 IKEE COc1ccc(-c2cc3n(n2)[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 21658647 XNTUUJSWAIEBTQ-DEOSSOPVSA-N 433.939 5.870 30 10 IKEE CCCn1cc(CN/C(=N/C(=O)c2ccc(C)c(C)c2)Nc2ccc(OCC)cc2)c(C)n1 32972764 QEOAJPSFLOSQIU-UHFFFAOYSA-N 447.583 5.015 30 10 IKEE COc1ccc(C(=O)Nc2cccc(/C=C\C(=O)c3ccc(C4CCCCC4)cc3)c2)cc1 33480506 XTFSPLAWAJLSRN-GRSHGNNSSA-N 439.555 6.891 30 10 IKEE C=C[C@](C)(O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1 36308769 WSHKUHMMUVGEAG-VWLOTQADSA-N 439.987 5.775 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OCc3ccc(Cl)c(Cl)c3)ccc2C1=O 39754117 CAADHEUFRNSBQW-JJFYIABZSA-N 427.283 6.197 30 10 IKEE C=CCN1C(=O)c2[nH]nc(-c3cc(Cl)c(C)cc3O)c2[C@@H]1c1ccc(SC)cc1 39914578 CXUNSOQDTBCKOI-NRFANRHFSA-N 425.941 5.197 30 10 IKEE COc1cccc2cc(C(=O)Oc3cc(C)c4c(c3)O/C(=C\c3ccccc3C)C4=O)oc12 41354062 IKFLAAADPYRXNN-UUYOSTAYSA-N 440.451 5.894 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/C=C/c1ccccc1)O3)CN(CCc1ccc(F)cc1)CO2 41649268 RNWVXUJAXGWGOY-CLMGESTGSA-N 441.502 5.701 30 10 IKEE CC(/C=C/c1ccccc1)=N/Nc1nc(SCC(=O)Nc2cccc3ccccc23)n[nH]1 59022953 OPCWAIRDTYGLFY-BOLIKQRZSA-N 442.548 5.190 30 10 IKEE CCCCCCCOc1ccc(NCC(=O)Nc2cccc(C(=O)N[C@@H](C)CC)c2)cc1 100077689 QOZGFBYNOXNPQC-FQEVSTJZSA-N 439.600 5.615 30 10 IKEE CCCCCCCCCCCCCC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 100441999 PAAXFOWGVKDLCB-JOCHJYFZSA-N 430.633 6.235 30 10 IKEE CCOc1ccccc1NC(=O)c1oc2c(c1C)/C(=N\Nc1ccccc1)CC(C)(C)C2 101108827 KUKSUGUAABWESX-BRPDVVIDSA-N 431.536 6.028 30 10 IKEE CCCCCCCCCC(=O)Nc1ccc2[nH]cc(CCN(CCC)CC3CC3)c2c1 102998525 OTPZXODKEQMSGS-UHFFFAOYSA-N 425.661 6.912 30 10 IKEE COc1ccc(N/C(=C/C(=O)/C(O)=C\C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1 104976020 CBGOOYIXKSWEGF-XBVXLEFASA-N 433.891 5.696 30 10 IKEE Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCC(=O)c1ccc(Cl)s1 108470336 SRCOKNUTWUNSBQ-UHFFFAOYSA-N 425.897 5.371 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1c1cc(C)ccc1C 169943677 GBTPTCIDIADYPH-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccc(C(C)C)cc2)c1 169967573 KUAJNAJDDRIEIW-AREMUKBSSA-N 439.555 6.518 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1cccs1)c1ccc(Cl)cc1 169985826 NYBRARLFYTXPBU-SFHVURJKSA-N 430.312 5.838 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1cccs1)c1cccc(Cl)c1 169988218 BJPQSZQLTTXMPJ-GOSISDBHSA-N 431.847 5.463 30 10 IKEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccccc2)cc1 170047887 UJEBIDITYIWKOA-XMMPIXPASA-N 438.483 5.282 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccco2)cc1 170098189 ZIBGPMZYPJQIPP-FQEVSTJZSA-N 446.484 5.071 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2cccs2)cc1C(C)C 170157287 JECYGWIQGPNLOD-JOCHJYFZSA-N 449.528 5.369 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccs2)ccc1Cl 170159115 WRWACRIHILTZTF-HXUWFJFHSA-N 439.920 5.583 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccs2)c(C)c1 170160885 FPKZZPWAIDCOKB-HJPURHCSSA-N 445.540 5.471 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccnc2)cc1C(C)C 170194174 PQXQUWMVNRIQPR-QHCPKHFHSA-N 434.536 5.125 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@@H]1c1ccc(OCC)cc1 170213635 UBOXHPFKCNXWOL-NRFANRHFSA-N 443.927 5.126 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@H]1c1cccc2ccccc12 170221027 OJVRFGCILFVRDG-HSZRJFAPSA-N 429.516 5.454 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccccc1 170223140 QRZNUTFBWAYRHU-JOCHJYFZSA-N 435.426 5.065 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccccc2)cc1C 170223850 HHNGUTMWNZMNTO-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCCC)c2)[C@@H]1c1ccccc1F 170253120 RHWLGWNVLIIHQP-QFIPXVFZSA-N 425.500 5.383 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@@H]1c1ccc(C)o1 170309845 NDAMYTOUPAWOJS-QFIPXVFZSA-N 425.525 5.391 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cccc(C)c2)cc1Cl 170343099 VXLMGJWYTUYYHH-HXUWFJFHSA-N 439.920 5.501 30 10 IKEE COc1cccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(OC(F)(F)F)cc2)c1 170429596 QKLKKWSCOFKLCE-GOSISDBHSA-N 449.425 5.109 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/Oc3cc(C)c(C)cc3C2=O)cc1C 214010985 HSWOAVMBSQEUAI-CVKSISIWSA-N 436.511 6.089 30 10 IKEE Cc1cccc(CN2C(=O)C(=NNC(=S)Nc3c(C)cc(C)cc3C)c3ccccc32)c1 254736946 ULIBXWZEXJXZGS-UHFFFAOYSA-N 442.588 5.158 30 10 IKEE COc1cc([N+](=O)[O-])cc(C=Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1O 254843037 USXUFXFHCDCRAD-UHFFFAOYSA-N 431.404 5.058 30 10 IKEE Cc1ccc(Nc2cc(Br)c(C#N)cc2F)cc1I 311521102 UDBCHWRWKUIWNL-UHFFFAOYSA-N 431.046 5.117 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccc(F)c2)c1 526488899 RSERZFSRNMHJHS-VWLOTQADSA-N 442.490 5.933 30 10 IKEE CC(C)COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)cc2)c1 526743687 CRHHQIQYSKTYJL-XMMPIXPASA-N 445.490 5.643 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1c(C)n(CC)c2ccccc12 526807124 IWJXCUWKDFDLPX-QFEZKATASA-N 438.000 5.951 30 10 IKEE CCOc1c(Cl)cc(/C=N\n2c(C)nnc2SCc2cccc(F)c2)cc1Cl 526825013 FKZLUCFFGVYYBC-RMORIDSASA-N 439.343 5.606 30 10 IKEE CCCCc1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(C)c(C)c2)cc1 586212210 AGGGUSCLNXBCFY-UHFFFAOYSA-N 432.589 5.913 30 10 IKEE COc1nsc([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)c1Br 690136450 KBWUHENSWJBTDF-LBPRGKRZSA-N 430.368 5.049 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2ccc(Br)cc2C)c1 698483530 CCLBHOLIXSYJNC-LJQANCHMSA-N 431.330 5.773 30 10 IKEE O=c1c2cc(Br)ccc2nc(/C=C/c2ccccc2)n1N=Cc1ccccc1 1083896609 QULIQMXCWCBNKO-ZCVVIHDUSA-N 430.305 5.212 30 10 IKEE Cc1cc(C)cc(NS(=O)(=O)c2ccc(N=Cc3ccc(Br)cc3)cc2)c1 1083960279 BTLVUZPRWCDNMS-UHFFFAOYSA-N 443.366 5.617 30 10 IKEE CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)O[C@H](C#N)c1cccc(/C=C/c2ccccc2)c1 1614381245 ZBZHTGMFIGHSJW-IDRPRQNDSA-N 426.343 6.556 30 10 IKEE O=C1/C(=C\c2ccccc2Cl)SC(=Nc2cccnc2Cl)N1C1CCCCC1 1772734174 PBLLTDNSGPYLDL-MRKXPFMVSA-N 432.376 6.325 30 10 IKEE C=CCN1C(=O)/C(=C(/C)c2ccc(F)cc2)SC1=Nc1nc(-c2ccccc2)cs1 1772739931 WLUJZDPZCUKQLA-SUYASHRRSA-N 435.549 6.129 30 10 IKEE C=CCN1C(=O)/C(=C/C(Cl)=C/c2ccccc2)SC1=Nc1ccc(C(=O)O)c(O)c1 1772760940 JAIVANUZWQTNGR-KRRCEEQHSA-N 440.908 5.003 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC(C)C)NC(=O)c1ccc2nc(CC)[nH]c2c1 1860963957 INLUTVOMPQACFY-HSZRJFAPSA-N 442.648 5.527 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CC)NC(=O)Cc1cc(Cl)ccc1SCC 1861007107 QAAMWBJKJGLGMZ-LJQANCHMSA-N 427.054 5.366 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@@H]2c2ccc(C)cc2)cc1 1862413263 YPEQMJQWORNEDR-QHCPKHFHSA-N 449.453 5.060 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc(F)cc1F)c1ccc(F)cc1F 1862416732 JVOJCDXIXYVVFK-NRFANRHFSA-N 441.380 5.022 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@@H]1c1ccc(F)cc1)c1ccccc1Cl 1862430789 RTXJXYKECDUJGC-OAQYLSRUSA-N 439.845 5.397 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2cccc(C)c2)c1 1862431426 GYEFCAUYKTYABW-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1cccc(F)c1)c1cccc(Cl)c1 1862445565 YRHGJSPGDHQYNQ-OAQYLSRUSA-N 427.903 5.780 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(Cl)c1 1862446289 OUTVJKXVAOAWMT-RFVSGWPVSA-N 444.358 6.150 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2cccc(Cl)c2)cc1 1862476711 NHEBRJCPYOSPOB-XMMPIXPASA-N 445.946 5.860 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2cccc(F)c2)c1 1862489694 YWZOTQJOZFSVCK-JOCHJYFZSA-N 435.520 5.325 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccccc2F)cc1 1862530451 QSBMXHFKXYGLOW-DEOSSOPVSA-N 435.539 6.079 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(N(CC)CC)cc1 1862538357 LLVQMQDRZWZUMH-VWLOTQADSA-N 448.607 5.864 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccc3ccccc23)c1 1862562078 XGQPBNZNFOLSCN-HSZRJFAPSA-N 440.524 5.262 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccc(F)c2)cc1 1862617757 YBIDAHSHWOUIGE-QFIPXVFZSA-N 449.547 5.963 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1CCc1ccccc1 1862648774 JONVZAYXMCCTKW-HHHXNRCGSA-N 447.534 5.969 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(F)cc1F 1862675183 DCASCNXAZCKAPB-WHIIXXIBSA-N 429.438 5.261 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1cccc2ccccc12)c1ccc(F)cc1 1862678134 ONWQDRYRGMZNFG-RUZDIDTESA-N 443.518 6.280 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccccc1F 1862703911 ZWILBAQWSMHTNU-JPYJTQIMSA-N 439.527 5.772 30 10 IKEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccccc1Cl)c1ccc2ccccc2c1 1862712052 ISMWLLIWIKPITG-AUSIDOKSSA-N 447.918 5.251 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc(Cl)c1 1862712106 JLXDUDXKOKAOSZ-HSZRJFAPSA-N 433.935 6.262 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc([N+](=O)[O-])cc1 1862718392 ZOSBFSFMERLUIH-JOCHJYFZSA-N 430.460 5.126 30 10 IKEE Cc1ccc(C2=C(Nc3cccc4c(O)cccc34)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862905474 PEZQHZLOSMFGLN-UHFFFAOYSA-N 445.478 5.122 30 10 IKEE Cc1cc(NC2=C(c3ccccc3F)C(=O)N(c3cccc(C#N)c3)C2=O)ccc1C(C)C 1862926805 BPXUFYJLHORCQV-UHFFFAOYSA-N 439.490 5.526 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(F)cc2F)C1=O 1863314468 QVUVFWHYUYHRRK-IBGZPJMESA-N 437.490 5.387 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2cccs2)=C(c2cccs2)C1=O 1863808158 HMVHNBMWNCAHHK-UHFFFAOYSA-N 430.639 5.820 30 10 IKEE C=CCN(CC=C)c1cc(N2CCN(c3ccccc3F)CC2)nc(-c2ccc(C)cc2)n1 1867966457 YSYIVEPBWJTORW-UHFFFAOYSA-N 443.570 5.096 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)Nc2ccc(C(C)=O)cc2)c(=O)cc1C 1870093805 SFLSZCNAPDPVDU-UHFFFAOYSA-N 440.584 5.518 30 10 IKEE C=CCOc1cn(CCc2ccccc2)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870244454 PZBJHTDEPGNNQP-UHFFFAOYSA-N 445.588 5.140 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)OCC(C)C)c(=O)cc1CSCC 1870256341 NFCAMABTBLMSBW-UHFFFAOYSA-N 439.662 5.820 30 10 IKEE C=CCn1cc(OCc2ccc(CC)cc2)c(=O)cc1CSc1nc2ccccc2s1 1870269527 FWXAIIAVZTVMAJ-UHFFFAOYSA-N 448.613 6.078 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCC2CCCCC2)cn1CCCCCCCC 1870483033 KBZLNMYVCNENNZ-UHFFFAOYSA-N 428.661 6.342 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)OC2CCCCC2)c(=O)cc1CN(C)C 1870573711 JEGCKNMWSKGGBN-UHFFFAOYSA-N 448.648 5.305 30 10 IKEE C=CCn1cc(OCc2c(C)cc(C)cc2C)c(=O)cc1CNc1ccc(N(C)C)cc1 1870802817 LLDHXNVTNTYWER-UHFFFAOYSA-N 431.580 5.217 30 10 IKEE CCCCCCCOc1cn(Cc2ccccn2)c(CNc2ccc(CC)cc2)cc1=O 1870837900 DGHXJBHPGPGKDH-UHFFFAOYSA-N 433.596 5.815 30 10 IKEE Cc1ccccc1Cn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccccc1C 1871250846 ZDAXPYUPMAUJJA-UHFFFAOYSA-N 449.554 5.576 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc3c2CN(Cc2cccc(Cl)c2)CO3)C1=O 1871347964 HJMDEKTZRKTOBC-CFRMEGHHSA-N 447.918 5.707 30 10 IKEE CCc1ccc([C@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2ccc(Cl)cc2)C4=O)cc1 1871354288 MJNDVOYCOXERAS-MQKZQLNTSA-N 445.946 6.432 30 10 IKEE CC(=O)Nc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)c1 1871364425 CCCZFBWJHVSMHU-JJFYIABZSA-N 433.847 5.134 30 10 IKEE Cc1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc4c(c2)OCO4)C3=O)cc1 1871366428 FGOHOBZWEWARCO-DNUMDTLGSA-N 440.451 5.267 30 10 IKEE CN(C)c1ccc(/C=C2\Oc3cc(OC(=O)CCc4ccc(Cl)cc4)ccc3C2=O)cc1 1871369000 UUXMJTAYFQBXSM-IWIPYMOSSA-N 447.918 5.560 30 10 IKEE CCCOc1ccccc1/C=C/C(=O)Oc1cc(C)c2c(c1)O/C(=C\c1cccs1)C2=O 1871376132 VLGPYLRHZRACSX-ZYJFADMJSA-N 446.524 6.080 30 10 IKEE CC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)c1 1871390268 NPOOLDASUYUHRD-JJFYIABZSA-N 434.831 5.101 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OCCOc4ccccc4)cc(C)c3C2=O)cc1 1871397032 GHPHLALXCPDKDQ-ITYLOYPMSA-N 443.543 5.915 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(O[C@H](C)C(=O)Nc3ccc(F)cc3)c2C)C1=O 1871400778 KSUVEXDFNXXPPB-NQRZERFFSA-N 431.463 5.465 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)OC(C)C)cc2c1C(=O)/C(=C/c1ccc(Br)cc1)O2 1871401069 SPSBOJNEXVBFET-VAODSVERSA-N 445.309 5.093 30 10 IKEE Cc1ccccc1OCCCCOc1ccc2c(c1C)O/C(=C\c1sccc1C)C2=O 1871404120 CBMSCXSWZQPXAR-KQWNVCNZSA-N 434.557 6.528 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCCCCOc4ccc(C)cc4)c3C)C2=O)cc1 1871405543 UUCYCHATJLSWTI-ITYLOYPMSA-N 428.528 6.466 30 10 IKEE C[C@H](Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1)C(=O)Nc1ccc(C#N)cc1 1871436022 KFWMXNXXFIUWLQ-HNNXBMFYSA-N 444.874 5.391 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OCc4cc(=O)oc5ccc(C)cc45)c3C)C2=O)c1 1871460234 BIEHLHZHYZQJNC-MXAYSNPKSA-N 438.479 5.913 30 10 IKEE N#C[C@H](C(=O)Cc1ccc(F)cc1F)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872759175 GOLPAMSDPBHGQT-OAQYLSRUSA-N 430.479 6.174 30 10 IKEE N#C[C@H](C(=O)/C(=C\c1ccccc1)c1ccccc1)c1nc(-c2ccc(F)cc2F)cs1 1872767566 VGQBTHQMCQZTAD-WCCCRJGXSA-N 442.490 6.505 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccccc3C(C)C)n2)cc1 1872768703 ZYOZHGKBYMIXIZ-UWJYYQICSA-N 434.561 5.976 30 10 IKEE COc1ccc(OC)c(-c2csc([C@H](C#N)C(=O)COc3c(C)ccc(C)c3C)n2)c1 1872771592 XNQJSBCWKADFRA-LJQANCHMSA-N 436.533 5.008 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@@H](C#N)C(=O)Cc3ccc(F)c(C)c3)n2)c1 1872780157 BMHJWXSCQOGJQW-IBGZPJMESA-N 438.524 5.474 30 10 IKEE CC(C)(C)c1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1 1872789536 MKZQKHSJGWQFNF-FSNWXROXSA-N 426.994 6.712 30 10 IKEE Sc1nnc(CCc2ccccc2)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1873502569 PGYLLCAOAKPSGX-WGOQTCKBSA-N 448.979 5.467 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/Nc2cnn(C)c(=O)c2Cl)cc1OCC 1873526234 UIZGRYSHBZPHQU-PCLIKHOPSA-N 448.995 5.408 30 10 IKEE CCCCCCCCNc1ncnc2c1ccc(=O)n2-c1ccc(Br)cc1C 1873541942 AVDCRHQSJLFSDF-UHFFFAOYSA-N 443.389 5.624 30 10 IKEE C=CCN(CC=C)C(=O)c1cc2c(N(CCCC)CCCC)ncnc2n1CCCC 1873553226 NIQLMFSZSKDYEA-UHFFFAOYSA-N 425.621 5.452 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)cc2)cc2c(NCCCOCCCC)ncnc21 1873607919 ANVPMVPDYYLUQQ-UHFFFAOYSA-N 441.963 5.142 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc3cc[nH]c3c1)n2CCC 1873620185 YBEVKVSWAHNPCG-UHFFFAOYSA-N 446.599 6.347 30 10 IKEE C=CCn1c(C(=O)Nc2ccc3cc[nH]c3c2)cc2c(N(CCCC)CCCC)ncnc21 1873662255 ILYJNELDRGJJPF-UHFFFAOYSA-N 444.583 5.758 30 10 IKEE CCCCCCc1c(C)c2ccc(O[C@@H](C)C(=O)Nc3ccccc3C#N)c(C)c2oc1=O 1873866299 AWJPVQMKDCXPSW-IBGZPJMESA-N 446.547 5.810 30 10 IKEE CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccc(OC)cc1 1874216947 MNNQDYGQAKJKKP-FSJBWODESA-N 430.961 5.130 30 10 IKEE CCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1cccc2ccccc12 1874230514 NERWZUGQMLPWAG-AFUMVMLFSA-N 436.968 5.966 30 10 IKEE C=CCSc1nnc(COc2ccc(OCC)cc2)n1/N=C/c1ccc(Cl)cc1 1874236299 AZHMQMDVTUQXRK-OEAKJJBVSA-N 428.945 5.070 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874317908 QIZXOJDZWXWEHC-LGUFXXKBSA-N 434.609 5.748 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2cccc(F)c2)n1/N=C/c1cccnc1 1874361483 MHYIDVROSPROML-JVWAILMASA-N 431.540 5.080 30 10 IKEE COc1cccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2)c1 1874379692 GYBJKMVARHZPOK-WGOQTCKBSA-N 432.524 5.191 30 10 IKEE Cc1ccccc1CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1ccc(Cl)cc1 1874392951 ZCUIVLNOXROXGH-FQNOVECQSA-N 447.007 6.566 30 10 IKEE CCCSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1c(OC)ccc2ccccc12 1874398722 CMCPGKCNRBXDED-WNIQNGNASA-N 430.577 5.976 30 10 IKEE CCCN(CCC)C(=O)CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1ccccc1 1874399195 JCRDZQRQNGFFIS-VIHXGXMLSA-N 449.624 5.053 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2)n1/N=C/c1c(OC)ccc2ccccc12 1874402511 FDNDUWGCBKPVHB-WPWMEQJKSA-N 442.588 5.776 30 10 IKEE Cc1cccc(/C=N/n2c(Cc3cccs3)nnc2SCc2ccc(Cl)cc2)c1 1874413938 SUFCZRYMGXYFDJ-ZVHZXABRSA-N 439.009 6.067 30 10 IKEE O=[N+]([O-])c1ccccc1/C=N/n1c(Cc2ccccc2)nnc1SCc1ccc(F)cc1 1874416172 CALLJXIXLHCZNO-MFKUBSTISA-N 447.495 5.091 30 10 IKEE CSc1nnc(-c2cccs2)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874420179 FGYPPCABKRQWGJ-YDZHTSKRSA-N 440.981 5.843 30 10 IKEE CC(C)(C)c1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1cccc(Cl)c1 1874486467 SSIYZHZBZPVVMJ-BHGWPJFGSA-N 437.371 6.196 30 10 IKEE C=CCSc1nnc(C2CCC2)n1/N=C/c1ccc(OCCCCCC)c(OC)c1 1874496468 NVNLNMBBMZVHJW-JJIBRWJFSA-N 428.602 5.674 30 10 IKEE CCCSc1nnc(C2CCC2)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874496575 UCRWITSFTCWESI-MFKUBSTISA-N 441.000 6.162 30 10 IKEE CCCOc1c(/C=N/n2c(CCC)nnc2SCCc2ccccc2)cccc1OC 1874507993 HBOWIVABHBNKHU-XIEYBQDHSA-N 438.597 5.245 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccccc1OC(C)C 1874508703 QZDVLJCADJRLEP-WPWMEQJKSA-N 444.604 6.346 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(C(C)C)n1/N=C/c1ccc(C(C)C)cc1 1874510164 JVPMBRFVTNRCPY-CVKSISIWSA-N 449.624 5.700 30 10 IKEE CCOc1ccc(/C=N/n2c(C)nnc2SCc2c(F)cccc2Cl)cc1OCC 1874535147 SRMOSUQOUIXCQW-WYMPLXKRSA-N 448.951 5.351 30 10 IKEE COc1cccc(/C=N/n2c(CCCOc3cc(C)c(Cl)c(C)c3)nnc2SC)c1 1874542271 RFUFJOMDXDXGOV-ZVHZXABRSA-N 444.988 5.173 30 10 IKEE Sc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874566374 UUXOZBKNWMUSOC-WGOQTCKBSA-N 448.979 5.467 30 10 IKEE CC(C)COC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccc2ccccc2c1 1874571232 CIUVJVPFMCLHJP-CCEZHUSRSA-N 438.523 6.467 30 10 IKEE Cc1cccc(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc(Cl)cc2Cl)c1 1874573652 YSEKNDOMERPKLV-FMIVXFBMSA-N 440.326 6.215 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3ccccc3C)c2)cc1F 1874597531 RKRUPMWAZSIJQP-DHZHZOJOSA-N 449.478 5.065 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OCC(=O)Nc1ccc(F)cc1 1874598976 OTZUIOKCMGJDBM-LFYBBSHMSA-N 433.479 5.365 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCc3cccc4ccccc34)c2)c2ccccc12 1874600961 LPFPVSYEUIPSNO-FBMGVBCBSA-N 444.530 7.477 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1F 1874601828 FUYDZWQQIWKMNJ-MDZDMXLPSA-N 441.842 5.871 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Br)c(OCCO)c(OCC)c2)cc1 1874607288 GURHFWLSQUBNCH-FMIVXFBMSA-N 447.369 5.458 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc(Br)c1OC 1874615985 WBJOHVAYJYUZNG-QPJJXVBHSA-N 430.125 6.059 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OCc1cccc(Cl)c1 1874638152 KLZWWSWNWYCGKO-WEVVVXLNSA-N 447.745 7.131 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cnc(C)cn3)c2)cc1 1874695814 TZRPELOFUHHPKU-UKTHLTGXSA-N 430.504 5.252 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc1OC(=O)C(F)(F)F 1874715317 NLJGGZSWLPHJKI-GQCTYLIASA-N 428.790 5.029 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C2CCCC2)c(Cl)c1)c1ccc(-c2ccccc2)cc1 1875078527 PEHWKGXTRCMSMJ-MHWRWJLKSA-N 430.931 6.999 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(C)c3)cc2[N+](=O)[O-])c1 1875108577 VNNRXECSXAVRGA-JXMROGBWSA-N 447.443 5.036 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccco3)c(Br)c2)cc1 1875114527 UAKBNKRAVMGKGN-ONNFQVAWSA-N 427.250 5.166 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1)c1ccc(Cl)cc1 1875122551 GCJJZWSPTNHPSC-QDEBKDIKSA-N 446.886 5.602 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)[C@@H]1C[C@H]1c1ccccc1Cl 1875129050 IQKVDISIVOSQPM-BCYJJVOOSA-N 432.903 5.954 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC(=O)C(C)(C)C 1875135298 JYEUTNYTWIHTNB-RMKNXTFCSA-N 437.319 5.858 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1OC 1875149024 UVOJKUFGEFKOGK-LZYBPNLTSA-N 444.527 6.117 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc(Cl)c1OC(=O)CC(C)(C)C 1875152313 RSVPJHUYIKZOBE-VQHVLOKHSA-N 448.918 6.124 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 1875157459 ZFJITWQYIQWUQV-LNKIKWGQSA-N 445.471 5.842 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2-c2ccccc2)cc1)c1ccc(F)c(F)c1 1875161866 LFCFKOLOSRYDMP-SFQUDFHCSA-N 440.445 6.747 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)c1cccnc1 1875174951 QTPMIMZJBWREBK-CSKARUKUSA-N 435.907 5.866 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)c1cccc(F)c1 1875176158 YUJXGPHYZRKGTK-CSKARUKUSA-N 438.882 6.220 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3cc(C)ccc3C)c(Cl)c2)c(C)c1 1875182850 XXQIKMNHLKBTRW-CSKARUKUSA-N 446.974 6.926 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(Cl)c3)cc2)cc1 1875187230 PQABEDIGOBBWRP-MKMNVTDBSA-N 436.891 5.863 30 10 IKEE CC1(C)CCC[C@]1(C#N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875631828 BNCJBMPZGCJFRX-YTMVLYRLSA-N 441.571 6.598 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@H](C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 1880471990 YTJAKWHUNWPBCX-WOJBJXKFSA-N 443.588 5.351 30 10 IKEE Cc1c(CC(=O)O)cc(N=[N+]=[N-])cc1NC(=O)OCC1c2ccccc2-c2ccccc21 1887520760 INQXMITYGIGQTE-UHFFFAOYSA-N 428.448 5.925 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1[C@H](C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1890295715 VYODSAJKXXKRIE-HBMCJLEFSA-N 443.588 5.399 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1csc([C@@H](C)NC(=O)OC(C)(C)C)n1 1922080523 OVBIPPYYQJZEPL-NQIIRXRSSA-N 445.629 5.543 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)CC12CCC2 1934505256 QGKRSCUGIMSQOH-RUZDIDTESA-N 441.572 5.250 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1949112965 SPWSGWDHZHVNFJ-STSQHVNTSA-N 447.963 5.373 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C1(C)C 2005327272 DUKRYIRMYUHXLV-XDHUDOTRSA-N 435.609 5.389 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCC2)C[C@H]1C1CCC1 2018419650 LTPJWPFDQZOSBC-CYFREDJKSA-N 433.593 5.238 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1 2032043813 MWXHHULSDLXMQD-NNPDTBDGSA-N 441.572 5.276 30 10 IKEE CC(C)(C)[C@@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)(F)F)c(C=O)c1Cl 2079977018 GOTZNPDGBGRDNY-CYBMUJFWSA-N 430.751 6.161 30 10 IKEE CCCOc1ccc([C@H](CC)n2nc(C3(C)CC3)c(C#N)c2I)cc1 2080075081 OHNXDQBKAHTARD-KRWDZBQOSA-N 449.336 5.199 30 10 IKEE CCOc1ccc(C(F)(F)F)cc1-c1cc(=O)n2nc(C3CCCCC3)c(C#N)c2[nH]1 2081021610 CZDPVDQXGYBHCD-UHFFFAOYSA-N 430.430 5.026 30 10 IKEE C#CCCCC[C@@H](NCCC)c1cc(I)ccc1Br 2116842714 NYSSNBSGFCCXLC-MRXNPFEDSA-N 434.159 5.288 30 10 IKEE C#CCCCCC[C@H](NCC)c1ccc(Br)cc1I 2142279599 SBCQKDFJWORFFF-INIZCTEOSA-N 434.159 5.288 30 10 IKEE N#Cc1cc(F)c(NC[C@]23CC[C@@H]2CCCN3Cc2ccccc2)cc1Br 2145618217 QKXUXBWELNFHEU-PGRDOPGGSA-N 428.349 5.317 30 10 IKEE N#Cc1cc(F)c(NC[C@]23CCC[C@@H]2CCN3Cc2ccccc2)cc1Br 2197382560 PDQANSBCJGCIJZ-XMSQKQJNSA-N 428.349 5.317 30 10 IKEE COc1cc(F)ccc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2204543937 UPKTVAIJZCUWJA-QGZVFWFLSA-N 435.293 5.603 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@](C)(CNC(=O)OC(C)(C)C)C(F)F)NCCC 2216261735 JTHIGMXTNASOIG-HYBUGGRVSA-N 440.575 5.314 30 10 IKEE CCN[C@H](C#CP(C)(C)=O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2218428550 RXLRRNOEBMLXSN-RUZDIDTESA-N 447.515 6.079 30 10 IKEE N[C@H](C#Cc1ccccc1Br)c1csc(Br)c1Br 2220261100 WUBFTEOJQPTXPY-LLVKDONJSA-N 449.993 5.087 30 10 IKEE C=CCCCC[C@@H](NC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229132641 VUEPTJDMHYYRQA-MOPGFXCFSA-N 425.411 5.219 30 10 IKEE O=C(OCc1ccccc1)N(CC(F)(F)F)[C@@H](CO)c1ccc(F)c(C(F)(F)F)c1 2235303478 STKWFSPTCBXHHR-INIZCTEOSA-N 439.327 5.079 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)[C@H](CCC)CNC(=O)OC(C)(C)C 2235734828 XFZLQFSSILLZTB-UYAOXDASSA-N 437.422 5.110 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)[C@H]2CCC[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 2249372451 XSKDFZUIASWZDV-APLYEEPTSA-N 435.609 5.388 30 10 IKEE CC(C)(C)CN(Cc1ccccc1)C(=O)c1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1 2255544746 FCXBPKPMPLORGH-UHFFFAOYSA-N 441.808 5.328 30 10 IKEE CCCN[C@H](C#CC1CCCCC1)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2260987966 GIBZEKXHOXNIIG-JWQCQUIFSA-N 442.644 5.439 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CN[C@@H]2CCCC[C@H]2C1 2279720732 XHYFNVQHZODHNT-LUQKVYGDSA-N 434.378 5.005 30 10 IKEE CCN(C(=O)OC(C)(C)C)c1ccc(CNc2c(Br)cccc2C#N)cc1 2285239928 JOEKLLCZKWVLAO-UHFFFAOYSA-N 430.346 5.694 30 10 IKEE C=CCCC1(C(=O)Nc2cc(F)cc(Br)c2C)CN(C(=O)OC(C)(C)C)C1 2287984482 YFLCEBLFISMDKZ-UHFFFAOYSA-N 441.341 5.038 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@](C)(CCC)NC(=O)OC(C)(C)C 2296281848 PAVQIDJUBGAVQH-KNQAVFIVSA-N 437.422 5.252 30 10 IKEE Cc1ccc2nc(N3C(=O)C(=O)C(=C(O)c4ccc(F)cc4)[C@@H]3c3ccccc3)sc2c1 2296930164 DDQXZYQKEWLMJM-NRFANRHFSA-N 444.487 5.370 30 10 IKEE O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1Cl 2297465961 AYRZFHJNKMIXRS-XMMPIXPASA-N 429.903 5.518 30 10 IKEE CN(C)c1ccc(C=C2CCCC(=Cc3ccc(N(C)C)cc3Cl)C2=O)c(Cl)c1 2297563789 JYXJLAFLYANCKO-UHFFFAOYSA-N 429.391 6.345 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2302796360 RDKWVHQCROMTEM-WDYCEAGBSA-N 433.524 5.153 30 10 IKEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CCC(F)(F)C[C@@H]1OCc1ccccc1 2305403280 MSHAXPBXORNIGJ-WIOPSUGQSA-N 429.507 5.293 30 10 IKEE O=C(C=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cccc(NC(=O)c2ccco2)c1 2314523234 NMCWFBMGVGZEON-UHFFFAOYSA-N 428.400 5.596 30 10 IKEE CN1C(=O)C(=Cc2ccccc2OCc2ccc(Cl)cc2)SC1=Nc1ccccn1 2314542544 WWKSZISTKQMHIY-UHFFFAOYSA-N 435.936 5.548 30 10 IKEE N#Cc1nc(-c2ccccc2)oc1NN=Cc1ccc(OC(=O)c2ccc(F)cc2)cc1 2320833957 HYXCHYMESWTCBX-UHFFFAOYSA-N 426.407 5.018 30 10 IKEE Cc1ccc(COc2ccc(C=Nn3c(S)nnc3Cc3ccc(C)c(C)c3)cc2)cc1 2321998553 ZHOJGKDZUNHQCU-UHFFFAOYSA-N 442.588 5.544 30 10 IKEE CN(C)CCCN1COc2ccc3c(c2C1)OC(=Cc1ccc(-c2ccccc2)cc1)C3=O 2322031919 OUDONQGZBMKVBU-UHFFFAOYSA-N 440.543 5.073 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1c(Cl)cccc1Cl)C3=O)CN(CCOC(C)C)CO2 2322328443 MPAGYWKNDQQHDR-UHFFFAOYSA-N 448.346 5.495 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl 2322436986 XPWVXKKQMMIPLR-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE CCCN(CCC)C(=O)COc1c(C=CC(=O)c2ccc(C)cc2)cc(Cl)cc1OC 2322593528 CXEDJURWILMYGR-UHFFFAOYSA-N 443.971 5.581 30 10 IKEE Cc1cc(OC(=O)c2ccccc2Br)cc2c1C(=O)C(=Cc1cccs1)O2 2322708641 BKPBUXPYMDGTFI-UHFFFAOYSA-N 441.302 5.654 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(C(C)C)cc2)c1OCc1ccccc1C 2322736482 HNKGYFYDFHGDGM-UHFFFAOYSA-N 434.963 7.256 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OC(=O)CCc4ccc(C)cc4)c3C)C2=O)c1 2323081503 FIPYXWHUGQWIOI-UHFFFAOYSA-N 428.484 5.466 30 10 IKEE Cc1c(OC(=O)c2ccc(F)c(F)c2F)ccc2c1OC(=Cc1ccccc1F)C2=O 2323126994 KJFDZLQETJEOKR-UHFFFAOYSA-N 428.337 5.387 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OCc1c(F)cccc1Cl 2323985044 MARCLMFHLUBRPB-UHFFFAOYSA-N 442.889 6.800 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(O)c2CN2CCC(Cc3ccccc3)CC2)C1=O 2324029745 LHFAAFXKZUWIIV-UHFFFAOYSA-N 445.584 5.833 30 10 IKEE Cc1cc(O)c(CN2CCCCCC2)c2c1C(=O)C(=Cc1c(Cl)cccc1Cl)O2 2324070559 NJDLQBVTMODNKA-UHFFFAOYSA-N 432.347 6.000 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OCc3ccccc3F)c(OC)c2)cc1F 2324108171 FQQSBMPWNPVHRU-UHFFFAOYSA-N 440.442 5.466 30 10 IKEE COc1cc(OC)c(OC)cc1C=C1Oc2c(ccc(OCCc3ccccc3)c2C)C1=O 2324282940 KUXNDEZIBWVGBJ-UHFFFAOYSA-N 446.499 5.259 30 10 IKEE C=C(C)COc1c(OCC)cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1[N+](=O)[O-] 2324379247 OKFBFGAYIUIGRH-UHFFFAOYSA-N 425.481 5.470 30 10 IKEE CCc1ccc(NC(=O)[C@H](CC)Oc2ccc3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1 2324816686 MQBBMBUFSGGXQB-QHCPKHFHSA-N 445.490 5.800 30 10 IKEE Cc1c(OCC(=O)Nc2c(Cl)cccc2Cl)ccc2c1OC(=Cc1ccco1)C2=O 2325129548 DHLSTQNRBDXYCB-UHFFFAOYSA-N 444.270 5.529 30 10 IKEE CC(C)c1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2325318243 HNQZYLTUGFANGX-UHFFFAOYSA-N 447.918 6.097 30 10 IKEE COc1cc(C=Nn2cnnc2SCc2cccc3ccccc23)ccc1OC(C)C 2325666226 PXALKRCLIAYDOA-UHFFFAOYSA-N 432.549 5.402 30 10 IKEE COc1ccc(C=C2Oc3cc(OCC(=O)Nc4c(C)cc(C)cc4C)ccc3C2=O)cc1 2325736455 DYRBAIMORUCLNW-UHFFFAOYSA-N 443.499 5.254 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1ccccc1F 2326324079 ZFTNMNSMBBABJM-UHFFFAOYSA-N 438.572 5.542 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCC)n1N=Cc1ccccc1Cl 2326458335 YFJJDFFMYIGHAU-UHFFFAOYSA-N 428.945 5.070 30 10 IKEE CCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1cccc(Cl)c1Cl 2326681293 RCNGTSOQCIEDER-UHFFFAOYSA-N 430.364 5.584 30 10 IKEE CSc1nnc(COc2cc(F)ccc2F)n1N=Cc1c(Cl)cccc1Cl 2327410531 YUOPHJDRIPYSBP-UHFFFAOYSA-N 429.279 5.046 30 10 IKEE CCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc(Br)cc1 2329086745 RHVOBJLJGLLATI-UHFFFAOYSA-N 435.778 5.279 30 10 IKEE Cc1ccccc1CSc1nnc(COc2ccccc2)n1N=Cc1ccccc1O 2329878971 GVQSNUWPIRNRFH-UHFFFAOYSA-N 430.533 5.046 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(OC)c1OC(=O)c1ccco1 2330654045 ZERVKXPMCPKEON-UHFFFAOYSA-N 428.440 5.565 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3)c(OCC)c2)cc1 2330842224 SBJWDTXXDMWCDE-UHFFFAOYSA-N 442.555 6.472 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2Cl)cc(OC)c1OC(=O)[C@H]1CCCO1 2330949338 YQDJKDHGGTYPSJ-OAQYLSRUSA-N 426.896 5.058 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)cc(Cl)c1OC(=O)c1ccncc1 2330972116 IELZHPUWRHLMHP-UHFFFAOYSA-N 437.879 5.258 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2ccc(Cl)c(Cl)c2)nnc1[C@@H]1CCCO1 2331002094 GXLHJMHLSLLDCF-IBGZPJMESA-N 447.391 5.919 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(CC)cc1 2331042449 AWKARIDUHBXYNG-UHFFFAOYSA-N 445.471 5.671 30 10 IKEE C=C(C)CSc1nnc(C2CCCC2)n1N=Cc1ccc(OCCCC)c(OC)c1 2331069390 NAVQGTJKYWRJKV-UHFFFAOYSA-N 428.602 5.674 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(SCc2ccccc2)nnc1C1CCCC1 2331071088 YHRLYGWZAHHKBF-UHFFFAOYSA-N 442.588 6.272 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3cccc(Cl)c3)cc2)cc1 2331117840 QOELLWNLJZXBBT-UHFFFAOYSA-N 436.891 5.619 30 10 IKEE CCCOc1cccc(C=Nn2c(SCCc3ccccc3)nnc2C(F)(F)F)c1 2331142476 ZVXVGZOSWHNSKB-UHFFFAOYSA-N 434.487 5.303 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)[C@H](C)Oc1ccc(Cl)cc1 2331183576 ICIGJWBDDASCQC-KRWDZBQOSA-N 436.891 5.618 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2Cl)cc1 2331219065 JIIIMYCXZXJIEL-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3[N+](=O)[O-])c(Cl)c2)c(C)c1 2331224314 JQLVELSPTXCTJJ-UHFFFAOYSA-N 435.863 5.980 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccco2)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 2331245062 REVLFPMMDVJSBP-UHFFFAOYSA-N 432.215 5.610 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1cncc(C)c1 2331293066 NCAZYIJYACKGNA-UHFFFAOYSA-N 427.500 5.551 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3OC)cc2)cc1 2331294199 AXDYBRLRHPGNIL-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)[C@@H](C)c1ccccc1 2331327392 AFRQWHMECWJIPF-NRFANRHFSA-N 428.528 6.307 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cccc(OC)c1O 2331346077 XSKREOPQYINZLM-UHFFFAOYSA-N 430.961 5.163 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCC(=O)NC3CCCCC3)nnc2C(C)(C)C)cc1 2331400212 WEJPDOKWSRMLAM-UHFFFAOYSA-N 441.645 5.122 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)cc3)c([N+](=O)[O-])c2)cc1F 2331456731 YONGMXIZFBOAJU-UHFFFAOYSA-N 435.407 5.166 30 10 IKEE CC(C)Cc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc([N+](=O)[O-])cc1 2331477318 HWMABRYRGGWANI-UHFFFAOYSA-N 447.923 5.352 30 10 IKEE COc1cc(C=Nn2c(SCc3ccccc3)nnc2C2CCC2)ccc1OC(C)C 2331519627 IKVVMSAZXNOCHQ-UHFFFAOYSA-N 436.581 5.516 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2cccc3ccccc23)nnc1C(C)C 2331705741 HNEMNQPKRHNPRF-UHFFFAOYSA-N 444.604 6.518 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)[C@@H]1CCCO1 2331770784 CDNJEGSTUVDCAK-NRFANRHFSA-N 442.939 5.644 30 10 IKEE COCC(=O)Oc1ccc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1Cl 2331812448 ZEGYCJUASRDNHQ-UHFFFAOYSA-N 429.683 5.103 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)c1ccccc1 2331863777 GDFYRUAPVQBRBM-UHFFFAOYSA-N 441.310 6.507 30 10 IKEE CC[C@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2333108749 ICFXJOAKQGDRCT-GHZBUWTKSA-N 428.701 7.204 30 10 IKEE CCN[C@H](C#Cc1cccs1)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2338248680 LMLARXGNJAGNQR-GOSISDBHSA-N 435.387 5.560 30 10 IKEE C=CCC(CC=C)[C@H](N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2338699574 OVRTWWQMYQVGKY-VMPREFPWSA-N 443.587 5.974 30 10 IKEE CC1(C)OB(C=Cc2ccc(N[C@H]3CCCCN(Cc4ccccc4)C3)nc2)OC1(C)C 2339585719 TTZDOUJBHKOGKT-QHCPKHFHSA-N 433.405 5.193 30 10 IKEE CC(C)(C)OC(=O)Nc1nc2cc(Nc3ncc(Br)cc3C#N)ccc2s1 2382209247 RCPPVPXPDOVFPF-UHFFFAOYSA-N 446.330 5.416 30 10 IKEE Cc1c(C)c(C)c(C(=O)c2ccc(/N=C/c3cc(Cl)cc(Cl)c3O)cc2)c(C)c1C 3161632 ZWJZYGYAGPZXBU-KVSWJAHQSA-N 440.370 7.223 30 10 IKEE C=C(C)COc1cccc(NC(=S)NC(=O)c2cccc(OCCc3ccccc3)c2)c1 10333707 VQQDCRPAFWQACX-UHFFFAOYSA-N 446.572 5.390 30 10 IKEE N#Cc1ccc(-c2ccc(Cl)cc2Cl)nc1Sc1ccc([N+](=O)[O-])cc1C=O 13573834 YCVZQCKVMHPEFH-UHFFFAOYSA-N 430.272 5.799 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)CCSc2n[nH]c(N/N=C/C=C/c3ccccc3)n2)cc1 20834063 CJZNKPPDMIVHKI-SPPKMBGOSA-N 448.596 5.550 30 10 IKEE Oc1c(Cl)cc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1Oc1ccccc1F 22022847 DJWSKQNJVUAYMW-YPXUMCKCSA-N 444.211 7.400 30 10 IKEE Cc1ccc(C(=O)/N=C(/NCCc2c[nH]c3ccccc23)Nc2ccccc2C)cc1F 32943215 FHLFTOJVXPRJGL-UHFFFAOYSA-N 428.511 5.364 30 10 IKEE CCc1ccccc1N/C(=N\C(=O)c1cc(C)cc(C)c1)NCc1c(C)nn(CC)c1C 32972042 RHFUJYTXYBAUQT-UHFFFAOYSA-N 431.584 5.097 30 10 IKEE Cc1ccc(C(=O)/C=C\c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1 33395527 AXWIXMAJZRTHCP-DOBFYZOKSA-N 442.562 7.247 30 10 IKEE C=CCOC(=O)C1=C(C)N(Cc2cc(F)cc(F)c2)C(=O)C[C@@H]1c1ccccc1Cl 37280086 BVGPGOCUWCICKK-LJQANCHMSA-N 431.866 5.138 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(C(C)C)cc1 40079473 FARNMQAJTZASGA-XMMPIXPASA-N 435.564 5.976 30 10 IKEE COc1ccc(CN2COc3c(cc4c(c3C)O/C(=C\c3cccs3)C4=O)C2)cc1OC 41587012 KBQHKTWGVXGODK-JJFYIABZSA-N 449.528 5.042 30 10 IKEE CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]4[C@H]3C[C@H]3O[C@]32C1 48533193 VEEBKUQFPONGGR-WHIDIKHZSA-N 444.700 7.171 30 10 IKEE O=C(O)c1ccc(N/C(=N/CCc2ccccc2)NCC23CC4CC(CC(C4)C2)C3)cc1 65304882 QJOXCQIISNGEIT-UHFFFAOYSA-N 431.580 5.201 30 10 IKEE CCCCCCCOc1ccc(C(=O)Oc2ccc3ccccc3c2Br)cc1 100219585 ZUETXLDGNMFBNP-UHFFFAOYSA-N 441.365 7.171 30 10 IKEE CCCCCCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(N(C)C)cc1 101285120 DQHQGHHKZDCYJW-RUZDIDTESA-N 446.595 5.905 30 10 IKEE CN1/C(=C2/S/C(=N/CCc3ccccc3)N(C3CCCCC3)C2=O)Sc2ccccc21 102148122 XXKXHEMQEIRIBP-QPRJYHLLSA-N 449.645 5.904 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)/C(=C(\O)c4ccco4)[C@H]3c3ccccc3F)sc2c1 102904870 XZQOAGHGJHTIHM-GOBJLOIFSA-N 448.475 5.217 30 10 IKEE Cc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccccc3)N(c3ccccc3)C2=O)c(C)c1 102963933 LFPHMBOIEXIZCV-VQAHOFKPSA-N 429.545 5.468 30 10 IKEE CCN(CC)CCN1C(=O)C(=O)/C(=C(\O)c2ccc(C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 103107521 MPXDNGCESKKRIU-MYXKAAJQSA-N 448.607 5.056 30 10 IKEE COc1ccc(N/N=C/c2cc(Br)c(O)c(Br)c2)cc1Cl 169877181 RCOWMUUJKMDFFL-CNHKJKLMSA-N 434.515 5.025 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccc(OC)cc2)cc1 169922804 LXFYAECBISJSMV-XMMPIXPASA-N 427.500 5.349 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccc(Cl)cc2)c1 169969727 QWTYOKYTESIZFZ-HSZRJFAPSA-N 431.919 6.048 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccccc2)cc1 170049464 YKUGKMJAHBCNAV-SANMLTNESA-N 439.555 6.086 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccc(Cl)cc1)c1cccc(Cl)c1 170057456 ANEDRPLGVFDIHV-FQEVSTJZSA-N 442.273 5.915 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2ccc(Cl)cc2)=C(N2CCC[C@H](C)C2)C1=O 170069320 SGLFSRHIWGPOAY-FQEVSTJZSA-N 445.047 6.293 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cccc(OCC(C)C)c3)=C(O)C(=O)N2C2CCCC2)c1 170121354 FTKBGFHYSIHAQC-DEOSSOPVSA-N 449.547 5.251 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1ccccc1OC 170125760 OENSMCISZFMAHN-XMMPIXPASA-N 449.591 6.070 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc(C)c2)cc1C 170145543 LKWBABPVNSWGDH-XMMPIXPASA-N 433.548 5.531 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccs2)cc1C 170158192 ZLKNCKFFZBWGJV-QMHKHESXSA-N 445.540 5.471 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC(C)C)cc3)[C@H]2c2ccccn2)cc1 170174368 SKMFUQKDGLGVOQ-XMMPIXPASA-N 442.515 5.208 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccccc2)cc1OC 170225453 ODAQOQYKVPUPIT-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCCC)c2)[C@@H]1c1c[nH]c2ccccc12 170255187 AVUBWKJBMJJSPU-QHCPKHFHSA-N 432.520 5.335 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1c[nH]c2ccccc12 170256174 WDXONQYTGFUELG-QHCPKHFHSA-N 432.520 5.253 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2c[nH]c3ccccc23)c1 170256335 UDJQISURMOTMJG-HSZRJFAPSA-N 430.504 5.088 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1c1cccc(F)c1 170270886 KYRREINLDRIQDZ-XMMPIXPASA-N 445.490 5.704 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccc(C)o2)c(C)c1 170304884 UZGIHPYFMBNPTG-DEOSSOPVSA-N 445.515 5.775 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@@H]1c1sccc1C 170318592 TWNVSRXAMRKYQS-QGZVFWFLSA-N 448.382 5.506 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(C(C)(C)C)cc2)c1 170345594 WMWHOTOLHMQFOQ-XMMPIXPASA-N 441.527 5.776 30 10 IKEE CCN(CC)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2C)cc1 170396561 CWXLWIJIJDLLGW-RUZDIDTESA-N 440.543 5.624 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(Cl)cc2)ccc1OC 170440616 VRMSGBWWGFSXMO-HXUWFJFHSA-N 443.927 5.263 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2nc3cc(F)ccc3[nH]2)[C@H]1c1ccc(C(C)(C)C)cc1 170472465 KDOPOKCNRIHXDR-QFIPXVFZSA-N 449.526 5.515 30 10 IKEE Cc1ccc(N=C2C(=S)N(c3ccc(C)cc3)C(=N)N2N=Cc2ccc(Cl)cc2)cc1 252625560 QMQNOQWCKYAACP-UHFFFAOYSA-N 445.979 6.105 30 10 IKEE Cc1ccsc1/C=C1\SC(=Nc2ccccc2)N(Cc2ccc(C(=O)O)cc2)C1=O 252636744 XLZSHPBJWPABFW-KHSCPFDSSA-N 434.542 5.559 30 10 IKEE COc1ccc(-c2nc3cc(N=C/C=C/c4ccc(Br)cc4)ccc3o2)cc1 254399887 DNAKIAZHCDTYCD-OKBFCTOBSA-N 433.305 6.682 30 10 IKEE Cc1ccc(S(=O)(=O)O[C@H]2C[C@@]3(C)CCC[C@@H]3[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]23)cc1 254475839 VBLKGSKRRMCRKY-YSERCGEGSA-N 444.637 5.681 30 10 IKEE C=C(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@H](C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 257398172 CPAQRHKQDWNSMI-RFDHYITESA-N 426.729 8.479 30 10 IKEE endogenous,in-man C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(F)c1Br)NCCC 407894142 SVQABQYNVSJTOZ-QZTJIDSGSA-N 443.401 5.358 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1/N=C\c1ccc(OC(C)C)c(OC)c1 526800403 QGTTVSVCCQYIKO-XYGWBWBKSA-N 438.597 5.591 30 10 IKEE CCOc1cccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)c1 698443593 KCGLALUWPVVKSE-LJQANCHMSA-N 431.330 5.854 30 10 IKEE CCCCCCC[C@H](C(N)=O)N(C(=O)OC(C)(C)C)c1ccccc1Br 698490233 SPWHLFULDMRXER-QGZVFWFLSA-N 427.383 5.405 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@]1(C#N)C[C@@H]2C[C@@H](CN2Cc2ccccc2)C1 716632196 UIRZVDGBJGYQSU-SHQBLQIYSA-N 437.628 5.893 30 10 IKEE C[C@@H](CCc1ccccc1)/N=C(/Nc1ccccc1O)N1CCN(C2CCCCC2)CC1 1088736272 RAZXAVODZJIOKR-QFIPXVFZSA-N 434.628 5.132 30 10 IKEE COc1ccc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)c(OC)c1 1565518666 VIRQWYGGWLVQLB-ARKVWGHASA-N 430.529 5.508 30 10 IKEE Cc1ccc(NC(=O)[C@@]23CC[C@@](C)(C(=NOC(=O)c4ccccc4Cl)C2)C3(C)C)cc1 1772722879 ZYYHSQFPNBIBGU-LOSJGSFVSA-N 438.955 6.016 30 10 IKEE O=C1/C(=C\c2ccccc2[N+](=O)[O-])SC(=Nc2ccncc2Cl)N1c1ccccc1 1772737344 OOBKRBXJLDGDEK-DGIAZZNKSA-N 436.880 5.452 30 10 IKEE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1C(=NNc1ccccc1)CCC2 1772750787 LSVKNBPUDHVZMT-UHFFFAOYSA-N 428.319 6.300 30 10 IKEE N#Cc1ccccc1NC(=O)Oc1cccc2c(NC(=O)c3cccnc3Cl)cccc12 1858780954 WNQUNWQHUUNBFZ-UHFFFAOYSA-N 442.862 5.623 30 10 IKEE N#Cc1cccc(C(=O)Oc2ccc(C3=CCN(C(=O)c4ccc5cc[nH]c5c4)CC3)cc2)c1 1860684151 MRSXDSGFIZVCDN-UHFFFAOYSA-N 447.494 5.188 30 10 IKEE CCCCOc1ccc(NC(=O)C(=O)/C=C/c2ccc(OCCC)c(OCC)c2)cc1 1860728500 OJVNPUUBODQRLQ-RIYZIHGNSA-N 425.525 5.274 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(Cl)cc1 1861105243 HJJTYZCHBCRHJW-MMYRTMNYSA-N 441.015 5.557 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)CCCOc1ccc(CC)cc1 1861711758 JCSIGNRRPXVYBU-DEOSSOPVSA-N 432.649 5.560 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 1862393337 TULWPOKYFWSZLD-QFIPXVFZSA-N 436.508 5.316 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2cccc3ccccc23)cc1 1862396173 FJLFKWFAPVYAMM-BCHFMIIMSA-N 441.571 6.559 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccccc2F)cc1C 1862401770 JDMFCXXZUHOHPD-DEOSSOPVSA-N 449.522 5.612 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc(Cl)c1 1862433287 YMDUEYFJTYKWTH-HXUWFJFHSA-N 448.346 5.387 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1 1862441668 BNTZQXKTTCKZPX-OYHNWAKOSA-N 435.882 5.819 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(OCCCCC)cc1 1862454512 ZHNQVHBSDVJGMV-JOCHJYFZSA-N 439.939 5.673 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2C(C)C)cc1 1862510688 CEQUPUDPVMLJQA-HSZRJFAPSA-N 439.527 5.690 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc2cc[nH]c2c1)c1ccc2c(c1)CCCC2 1862545792 IXXDHPIZZXFVSL-RUZDIDTESA-N 440.543 5.568 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccccc1)c1cccc2ccccc12 1862648717 IRYXZHOESURAQL-SANMLTNESA-N 433.507 5.661 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 1862681953 DFTVSIBKWZRLAL-LJQANCHMSA-N 435.417 5.613 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(O)cc1 1862698295 FTZZDUICCZZMTB-CVDCTZTESA-N 437.536 5.338 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc(C)c1 1862712938 DCLRJEWMMQKRAU-RUZDIDTESA-N 427.544 6.307 30 10 IKEE CCCCCCCOc1cn(CCCCc2ccccc2)c(CSC(C)(C)C)cc1=O 1870251664 PJCLZLHJQLIGKY-UHFFFAOYSA-N 443.697 7.252 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(CC)cc2)c(=O)cc1CSC(C)(C)C 1870271132 VMZLXSZVTJCVIT-UHFFFAOYSA-N 443.697 7.382 30 10 IKEE CCCCCCCCCCn1cc(OCc2ccccc2)c(=O)cc1CN(CC)CCO 1870470850 MEMUJUVJXSTSCQ-UHFFFAOYSA-N 442.644 5.382 30 10 IKEE C=CCn1cc(OCCCOc2ccc(C)cc2)c(=O)cc1CN(CCC)CCCC 1870776106 GSVUCQBSCGMKSS-UHFFFAOYSA-N 426.601 5.203 30 10 IKEE C=CCOc1cn(Cc2ccc(C)cc2)c(CNc2cc(C(C)C)cc(C(C)C)c2)cc1=O 1870813972 NWQXTWVQJQPUKB-UHFFFAOYSA-N 444.619 6.629 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(OC)cc2)c(CNc2cccc(C)c2)cc1=O 1870838442 DNQCXQXAPAVWMZ-UHFFFAOYSA-N 448.607 6.175 30 10 IKEE C#CCOc1cn(CCCCc2ccccc2)c(CNc2ccc(Cl)c(C)c2)cc1=O 1871007089 LMOOSOVRSXCOGS-UHFFFAOYSA-N 434.967 5.457 30 10 IKEE CCCCCCCCCCNC(=O)/C=C/c1ccc(Oc2ccc(Cl)cc2)cc1Cl 1871275665 CNJDJKPRRARZHH-GZTJUZNOSA-N 448.434 8.056 30 10 IKEE CCCCCCCCCCN=c1[nH]c(Nc2ccc(C(C)(C)C)cc2)ncc1[N+](=O)[O-] 1871304226 MAQKPTVDALNUFB-UHFFFAOYSA-N 427.593 6.400 30 10 IKEE COc1cccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccc(F)cc4)cc(C)c3C2=O)c1 1871400382 AGZDXDINGXXLCA-YOBACFSGSA-N 447.462 5.165 30 10 IKEE Cc1cc(O[C@H](C)C(=O)Nc2ccccc2)cc2c1C(=O)/C(=C/c1ccc(N(C)C)cc1)O2 1871404424 LJPIEBWOTOMLRD-BEXDPUPVSA-N 442.515 5.083 30 10 IKEE COC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\c2c(Cl)cccc2Cl)C3=O)o1 1871438944 ZDSOCIIJNGPURC-JMIUGGIZSA-N 445.254 5.568 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871454663 QRCRRRJQSIDVJH-XKZIYDEJSA-N 433.891 5.591 30 10 IKEE CCCCCCCCN=c1nc(N2C[C@H](C)C[C@@H](C)C2)[nH]c(=Nc2ccc3cc[nH]c3c2)[nH]1 1871588000 MDGRAVUYEQWAAD-WOJBJXKFSA-N 449.647 5.195 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccccc1C)[C@@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1872440849 HGUFJDRQKHUNPC-JTSKRJEESA-N 449.016 5.269 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(C)c(C)c1 1872557138 XQEFQCRWAFSFSN-DEOSSOPVSA-N 442.625 5.294 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)/C=C/c2ccccc2Cl)n1 1872785431 MVHFZMUSSSJQAQ-ZAHGZRRWSA-N 434.992 6.959 30 10 IKEE Cc1cc(C)c(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccccc3C(C)C)n2)c(C)c1 1872786981 YDMVIHAQIQAYGU-FPOVZHCZSA-N 432.589 6.503 30 10 IKEE CCCCCCCCNC1=C(c2cc(F)cc(F)c2)C(=O)N(Cc2ccccc2)C1=O 1873112989 HQYKNSUVLWZYJL-UHFFFAOYSA-N 426.507 5.195 30 10 IKEE C=CCN(CC=C)C(=O)c1cc2c(N(CCCC)CCCC)ncnc2n1Cc1ccco1 1873564372 SBXXVQZUQIYJIW-UHFFFAOYSA-N 449.599 5.293 30 10 IKEE C=CCn1c(C(=O)Nc2ccc3cc[nH]c3c2)cc2c(NCc3ccc(F)cc3)ncnc21 1873611775 RHVNHZAEUISLFM-UHFFFAOYSA-N 440.482 5.102 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1cccc([N+](=O)[O-])c1)n2CC 1873620225 ZSKGMYIGNMGMCS-UHFFFAOYSA-N 438.532 5.384 30 10 IKEE Cc1ccc(CSc2nnc(CCCOc3cccc(C)c3)n2/N=C/c2ccc[nH]2)cc1 1874245652 PBVMAYISAIBINU-WPWMEQJKSA-N 445.592 5.409 30 10 IKEE Fc1cccc(CSc2nnc(COc3ccc(Cl)cc3)n2/N=C/c2ccco2)c1 1874263812 RKORNCUARGYOQV-WYMPLXKRSA-N 442.903 5.417 30 10 IKEE C=C(C)CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1ccc(C(C)(C)C)cc1 1874297188 OMOQKHMICXQVBE-MFKUBSTISA-N 449.580 5.625 30 10 IKEE C=CCSc1nnc(CCc2cccc(OC)c2)n1/N=C/c1ccc(OCCC)cc1 1874310826 PLPPHNWOTGSEAP-XIEYBQDHSA-N 436.581 5.021 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccccn1 1874362225 USRHRZFMJWLGJV-JVWAILMASA-N 447.995 5.595 30 10 IKEE Cc1ccccc1CSc1nnc(COc2ccccc2)n1/N=C/c1ccccc1O 1874382752 GVQSNUWPIRNRFH-MFKUBSTISA-N 430.533 5.046 30 10 IKEE C=C(C)CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874395332 KAHWTVYCESPGSR-NLOAGFHQSA-N 430.499 5.999 30 10 IKEE COCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1sccc1C 1874502733 WWTNQJNZCANCQZ-DNTJNYDQSA-N 427.382 5.276 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CC2)cc1OC 1874520641 RXJNUFADTKIWMM-ZMOGYAJESA-N 442.972 5.391 30 10 IKEE CCOC(=O)c1ccc(COc2c(/C=C/C(=O)c3ccccc3)cc(Cl)cc2OC)o1 1874578191 ATJYAOKBPLJCQB-PKNBQFBNSA-N 440.879 5.593 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1OCc1cc(C)ccc1C 1874591705 XVUDBMIAFMECCQ-FMIVXFBMSA-N 441.354 7.094 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccccc2Cl)c1)c1ccc(Oc2ccccc2)cc1 1874598315 GKSSGGBSEOBOGR-QGOAFFKASA-N 440.926 7.607 30 10 IKEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1OC 1874601805 DTUQKELQLOCLAZ-OQLLNIDSSA-N 429.516 5.163 30 10 IKEE C=C(C)COc1ccc(/C=C/C(=O)c2ccc(OCCC)c(OCCC)c2)cc1[N+](=O)[O-] 1874612957 UQNLZVYHNLTUJF-JXMROGBWSA-N 439.508 6.023 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3Cl)c([N+](=O)[O-])c2)cc1 1874613921 UIVBJYGUKZGTPS-NTUHNPAUSA-N 437.879 6.122 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1C 1874615988 GKMOCDNQHACLTG-YRNVUSSQSA-N 427.327 6.786 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1874619943 AXCLOWHYDAWCSU-IZZDOVSWSA-N 427.327 6.786 30 10 IKEE CCCOc1c(Br)cc(/C=C/C(=O)c2cc(OC)ccc2OC)cc1OCC 1874620568 IDVCKORNTROCEG-VQHVLOKHSA-N 449.341 5.550 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1cccc(C)c1 1874622694 QAWNMIHEJKHCGO-MHWRWJLKSA-N 428.572 7.166 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OCc1cccc(C)c1 1874623146 OFVQEKYIMVCIKE-MDWZMJQESA-N 434.963 7.256 30 10 IKEE C=CCOc1c(CC=C)cc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)cc1OC 1874628392 BCOFDBWIGQNMBT-CMDGGOBGSA-N 433.331 6.200 30 10 IKEE COc1ccccc1CCC(=O)Oc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC 1874702787 JVCZYDPOTYMBLF-XNTDXEJSSA-N 430.500 5.447 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cccc(OC(=O)CCCOc3ccccc3C)c2)c1 1874703156 BJKLRSCAIONFFE-FOCLMDBBSA-N 428.528 6.273 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1OC(=O)COc1ccccc1 1874712539 HEBXUYLQLOOQLB-JLHYYAGUSA-N 446.499 5.201 30 10 IKEE O=C(CSc1ccccc1)Oc1cccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1 1874718509 IUOQAXOXMKHRDS-FMIVXFBMSA-N 443.351 6.587 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(F)cc1 1875094589 ZLFCFCDSXCSREA-WUXMJOGZSA-N 435.407 5.248 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc3c(c2)OCO3)cc1)c1ccc2c(c1)CCCC2 1875096868 JBAACZBRNVOBOS-NTUHNPAUSA-N 426.468 5.409 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1Cl 1875113240 CDXOVIRCBBZNHJ-ZRDIBKRKSA-N 441.310 6.046 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC(=O)Cc1ccc(F)c(C)c1 1875121979 ORUKSWBZUXRHKD-JXMROGBWSA-N 438.882 5.840 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)CC(C)(C)C 1875126670 SUHDLNSIMOAMTP-IZZDOVSWSA-N 435.347 6.630 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)c1ccc(F)c(F)c1 1875132675 YHIIFCJSGOOAAS-BJMVGYQFSA-N 442.845 6.051 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2)c1 1875138161 PGSCEEWSQHXADK-UKTHLTGXSA-N 430.500 5.365 30 10 IKEE COCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OC 1875156666 IEMFTQBXLGXEMP-BJMVGYQFSA-N 447.325 5.029 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc(F)c2)c(Br)c1)c1ccc(F)cc1 1875158278 NWDJOEGBXDSLHA-ONNFQVAWSA-N 443.243 5.843 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)cc2)cc1 1875168411 BDYZXYKYQMKQIT-CXUHLZMHSA-N 428.528 6.434 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(OC)c(Cl)cc2OC)cc1Cl 1875173743 NVGLJCQGKPDQOB-VQHVLOKHSA-N 437.319 6.002 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc1 1875180415 METDBMRMHLFGFS-DTQAZKPQSA-N 442.983 7.209 30 10 IKEE C=C(C)C[C@@H](NCCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875659929 GRQPBQPNRLGRIU-GGXMVOPNSA-N 445.603 6.212 30 10 IKEE N#Cc1cncc(C2=CCN(C(=O)c3ccc(OCc4ccc5ccccc5n4)cc3)CC2)c1 1890969271 RTNYDDIUWCXGKT-UHFFFAOYSA-N 446.510 5.010 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCC12CN(C(=O)OC(C)(C)C)C2 1918323540 VXCYGSPFBJYKOZ-RUZDIDTESA-N 441.572 5.420 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@](O)(CC)c1ccc(Br)cc1 1922075823 ZXUVVOKDMNKIPY-DHIUTWEWSA-N 432.402 5.188 30 10 IKEE CC[C@H](NC(=O)OC(C)(C)C)[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1936065972 GVDNDQCEEGAOJG-HTAPYJJXSA-N 437.968 5.667 30 10 IKEE CCCCCCCCCC[C@@H](NC)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1946540020 KYXWOUALXOSZGS-DNQXCXABSA-N 434.665 6.215 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)C1=CCC=CC1 1949760150 YCEQKDCFQSDSTR-ZEQRLZLVSA-N 426.601 5.297 30 10 IKEE CCCCCCC[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H]1C(=O)O 1951575547 BZUPYQGQSWAVFG-CYFREDJKSA-N 435.564 5.929 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)[C@H]1C[C@@H]2C[C@@H]2C1 2004668378 PUZDBZLUPRAJCA-HTUFRPJOSA-N 428.617 5.067 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]2CC(C)(C)CN2C(=O)OC(C)(C)C)c1 2033715012 DDNZRYBGQQSZPO-VQTJNVASSA-N 443.588 5.664 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 2041560373 RENWTOCEOCMDNX-OSPHWJPCSA-N 447.551 5.497 30 10 IKEE N#CCOc1ccc(C(=O)C=Cc2cccc(C=CC(=O)c3ccc(OCC#N)cc3)c2)cc1 2052133491 QEZFZUZRAWQWGP-UHFFFAOYSA-N 448.478 5.284 30 10 IKEE Cc1ccc([C@H](C(C)C)n2nc(C(C)(C)C)c(/C=N/O)c2I)cc1 2079037367 HXLXKFKMKXHSFW-XYHOIZSOSA-N 439.341 5.147 30 10 IKEE CC(C)Oc1ccc([C@H](C(C)C)n2nc(C(F)F)c(C=NO)c2Br)cc1 2080069737 WAWVYRZUAMYSKP-INIZCTEOSA-N 430.293 5.424 30 10 IKEE CCOc1ccc([C@H](C2CC2)n2nc(C(C)(C)C)c(C#N)c2I)cc1 2080103685 MGHXHLXMCICVEH-KRWDZBQOSA-N 449.336 5.055 30 10 IKEE CC(C)Oc1ccc([C@@H](C(C)C)n2nc(C3CCC3)c(C=NO)c2Br)cc1 2080127946 XOJMBKSFRKJEEP-HXUWFJFHSA-N 434.378 5.754 30 10 IKEE C=CCC[C@H](C)[C@@H](NCCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2102113011 WRVYAESNHXZJDP-HNAYVOBHSA-N 425.411 6.439 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1cccc(F)c1Cl 2119569656 VQJHODMHNWMUQU-MRXNPFEDSA-N 439.712 6.248 30 10 IKEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN(C)[C@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2156383630 SVRFVQYWICMEHF-LOSJGSFVSA-N 449.444 5.110 30 10 IKEE CC(C)CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)c1cccc(Br)c1C#N 2174807728 FSMOTPOKAYGGIQ-MRXNPFEDSA-N 436.394 5.183 30 10 IKEE CCCCN(C[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(C#N)c(Br)c1 2174814405 HPMCSYFKQPHNTE-GOSISDBHSA-N 436.394 5.327 30 10 IKEE CN(C(=O)OC(C)(C)C)c1ccc(CNc2cc(Br)cc(F)c2C#N)cc1 2175702030 REZZBIDAGRFYCZ-UHFFFAOYSA-N 434.309 5.443 30 10 IKEE CO[C@]1(C)C[C@H]2C[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2185286200 XOUSCIQRPDEWQL-REABXYAWSA-N 435.362 5.288 30 10 IKEE CN(Cc1ccc(Br)cc1C#N)[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21 2190469122 OMOWECNKBOBSSJ-JBJBFBLISA-N 425.370 5.136 30 10 IKEE C=C([C@@H](NC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)C(C)(C)C 2229119130 AMPACWLJBSLAJP-ZWKOTPCHSA-N 425.411 5.075 30 10 IKEE CCCN[C@@H](C#Cc1ccc(CC)cc1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2231226565 TVBOJWRIBGXQKU-HHHXNRCGSA-N 448.651 6.186 30 10 IKEE Cc1ccc(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)c(C)c1NC(=O)OC(C)(C)C 2232316988 WEZKLHIFIUVZHR-UHFFFAOYSA-N 440.349 5.137 30 10 IKEE CCCCCCCC[C@@H](O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237404720 JXIKFDAKMHKRRR-VQTJNVASSA-N 442.438 5.996 30 10 IKEE Cc1sc(C(=O)N(Cc2ccccc2)[C@H](C)C2CC2)c(B2OC(C)(C)C(C)(C)O2)c1C 2255862371 HOVSVLODUZXBBF-QGZVFWFLSA-N 439.430 5.105 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CSc1cc(Br)cc(F)c1C#N 2260369055 SDXQTCRZWXRMMH-ABAIWWIYSA-N 429.355 5.197 30 10 IKEE C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)cc1 2267251524 KFYMIYQDQRQQSG-INIZCTEOSA-N 444.381 5.227 30 10 IKEE C=CCC[C@H](C)[C@H](NCC)[C@@](C)(O)c1cc(Br)c(Br)s1 2281280726 AYDGJDYKJCYYTP-XEGUGMAKSA-N 425.230 5.061 30 10 IKEE CCN[C@@H](C#Cc1cccc(Br)c1)c1csc(CNC(=O)OC(C)(C)C)c1 2296219019 KENCOEZNUALJBH-IBGZPJMESA-N 449.414 5.238 30 10 IKEE CN[C@@H](C#Cc1ccc(Br)cc1)c1cc(F)ccc1NC(=O)OC(C)(C)C 2296288244 DTJDWSCCMNEXRJ-SFHVURJKSA-N 433.321 5.247 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)CC1(NC(=O)OC(C)(C)C)CCCC1 2296307998 BLJBVHNELDZNMH-LJQANCHMSA-N 435.406 5.006 30 10 IKEE CN1C(=O)C(=Cc2ccc(OCc3ccccc3Cl)cc2)SC1=Nc1nccs1 2314542766 OCGNTOJWHUNHPN-UHFFFAOYSA-N 441.965 5.609 30 10 IKEE CCOc1ccc(C=Nn2c(CC)nnc2SCc2ccccc2Cl)cc1OCC 2318571528 MOPGLMKLJUXMID-UHFFFAOYSA-N 444.988 5.466 30 10 IKEE COc1cccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccccc2Cl)C4)c1 2321958507 XMXBCUQWKURFFP-UHFFFAOYSA-N 447.918 5.625 30 10 IKEE CCOc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(CCc1cccs1)C3 2322197171 YFIMHRFDFDOSAE-UHFFFAOYSA-N 447.556 5.466 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc(F)cc1F 2322502126 VILJHGMWUNIVMN-UHFFFAOYSA-N 441.861 5.840 30 10 IKEE Cc1c(OC(=O)c2cccs2)ccc2c1OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2322667469 JLQUQYNLESJVKN-UHFFFAOYSA-N 438.504 6.559 30 10 IKEE Cc1c(OC(=O)c2ccc(Cl)cc2)ccc2c1OC(=Cc1ccccc1Cl)C2=O 2322703755 WKPVYECOPLZJRE-UHFFFAOYSA-N 425.267 6.137 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)cc(C)c3C2=O)cc1 2322736699 HKQWFLFHDXBHCB-UHFFFAOYSA-N 426.512 6.436 30 10 IKEE C[C@H](NC(=O)COc1cccc(C=CC(=O)c2ccc3c(c2)CCCC3)c1)c1ccccc1 2323054949 SFVHBUMFEYYCTI-NRFANRHFSA-N 439.555 5.718 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc(C)c2C1=O 2323280251 QERNKTNQFWRXSM-UHFFFAOYSA-N 429.428 5.355 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1)NCc1ccccc1 2323511543 OYBGVGYAVSDNMW-UHFFFAOYSA-N 440.326 5.585 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(C)c2)cc(OC)c1OCc1ccccc1C 2323580274 RVESOFBXPWGSEC-UHFFFAOYSA-N 442.555 6.524 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(Cl)c1OCc1ccc(F)cc1 2323602157 IHUKDZLVGXWLTR-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE C=CCOc1c(OCC)cc(C=CC(=O)c2cccc(Br)c2)cc1[N+](=O)[O-] 2323659521 WVHZWIGRJNNGPW-UHFFFAOYSA-N 432.270 5.217 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(OC)c1OCc1ccc(F)cc1 2323789875 CTPOXHBSHCEWLQ-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Cl)c1OCC(=O)N(CC)CC 2323864818 NHRIOKRDGWMTKU-UHFFFAOYSA-N 443.971 5.499 30 10 IKEE CCCCCOc1ccc(C=NNc2nc(-c3ccc(OC)cc3OC)cs2)cc1 2323874000 FGXOQUUDJGPFQI-UHFFFAOYSA-N 425.554 5.842 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(OC)c(OCc3ccc(C)cc3)c(OC)c2)cc1 2323922542 WRCJEVOWEVNKOD-UHFFFAOYSA-N 446.543 6.276 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(O)c3CN(C)C3CCCCC3)C2=O)c2ccccc21 2324073490 BEHMTRVMLQXMFC-UHFFFAOYSA-N 430.548 5.748 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2cc(OC)c(OCCO)c(OC)c2)cc1 2324208744 FZQRQAHLVJHQCC-UHFFFAOYSA-N 442.552 5.320 30 10 IKEE Cc1ccccc1C=C1Oc2cc(O[C@@H](C)C(=O)Nc3ccc(Cl)cc3)ccc2C1=O 2324610102 OQIMFARAJNQPCZ-INIZCTEOSA-N 433.891 5.671 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2OC)ccc1OCc1cccc(F)c1 2324709402 ZVBLYFXHYNDABQ-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE COc1ccc(OC)c(C=C2Oc3cc(OCc4ccc(C#N)cc4)cc(C)c3C2=O)c1 2324757023 PXIPASCCQKQJCX-UHFFFAOYSA-N 427.456 5.079 30 10 IKEE COc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4c(C)cccc4C)ccc3C2=O)cc1 2325141660 YLJKIEWLDHREBD-SFHVURJKSA-N 443.499 5.334 30 10 IKEE O=C1C(=Cc2c(F)cccc2Cl)Oc2cc(OCc3cccc4ccccc34)ccc21 2325272355 ZUFIXBBSEUOCMU-UHFFFAOYSA-N 430.862 6.828 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(C(C)C)cc1 2325541102 XSFILRMRCOAXOO-UHFFFAOYSA-N 445.007 6.711 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1OC(=O)c1ccncc1 2325708421 NGUBIAXFLKSAEL-UHFFFAOYSA-N 428.271 5.512 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2ccccc2OC)cc1OC(=O)C(C)(C)C 2325723823 RELVBJABINOCDJ-UHFFFAOYSA-N 447.325 5.314 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)C3(c4ccc5c(c4)OCO5)CC3)c2)cc1 2325738617 BBTQXEZHNBIPMP-UHFFFAOYSA-N 426.468 5.257 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 2325746293 CFBXCOKMWBEBBF-UHFFFAOYSA-N 429.472 6.008 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1cccs1 2325904761 WACMJYPNYLQPQD-UHFFFAOYSA-N 440.638 6.075 30 10 IKEE CCCSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1cccc(C)c1 2325913768 VOZCPGZIGPYHQB-UHFFFAOYSA-N 435.380 5.857 30 10 IKEE Cc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1cccc(Br)c1 2326323825 IKFIKFMUFAIINP-UHFFFAOYSA-N 443.414 5.821 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cccc(OCC)c1O 2326358211 RBKKOPBIIVHLBH-UHFFFAOYSA-N 430.961 5.163 30 10 IKEE Cc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccccc1OCc1ccccc1 2326467655 SHAGHZKRAKXTJF-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE CCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(OC(C)C)c(Cl)c1 2326467968 IANZBNBNAXAUEI-UHFFFAOYSA-N 449.407 6.109 30 10 IKEE COc1ccccc1OCc1nnc(SCc2ccccc2)n1N=Cc1ccccc1C 2328303154 ADISCMJYQPBBEV-UHFFFAOYSA-N 444.560 5.349 30 10 IKEE COc1cccc(CCc2nnc(SCc3ccccc3)n2N=Cc2ccc(C)cc2)c1 2328640506 CFZQMJPNNVKUAU-UHFFFAOYSA-N 442.588 5.555 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2)n1N=Cc1ccc(Cl)cc1Cl 2328754274 RFNIQRSIKCIZLA-UHFFFAOYSA-N 449.407 5.981 30 10 IKEE Oc1ccccc1C=Nn1c(COCc2ccccc2)nnc1SCc1ccc(F)cc1 2329312303 GEBRHPKJIKAVCA-UHFFFAOYSA-N 448.523 5.014 30 10 IKEE C=CCSc1nnc(CCc2ccccc2C)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2329490075 CUAPJQDMFMJTTC-UHFFFAOYSA-N 441.944 5.094 30 10 IKEE CCCSc1nnc(-c2ccccc2Cl)n1N=Cc1cc(OC)c(OC)cc1OC 2329591213 BCZXJOWONPWZKV-UHFFFAOYSA-N 446.960 5.009 30 10 IKEE CCc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccccc2F)cc1 2330271471 MRHJYFOEUSMFCS-UHFFFAOYSA-N 436.600 6.277 30 10 IKEE Oc1ccc(Cl)cc1C=Nn1c(Cc2ccccc2)nnc1SCc1ccccc1 2330492246 DRYFGSJHFUVWCS-UHFFFAOYSA-N 434.952 5.402 30 10 IKEE CCN(CC)C(=O)CSc1nnc(-c2cccs2)n1N=Cc1cccc2ccccc12 2330537319 BSSHTNCBWAKZPA-UHFFFAOYSA-N 449.605 5.003 30 10 IKEE Cc1cccc(CSc2nnc(-c3cccs3)n2N=Cc2ccc(N(C)C)cc2)c1 2330549625 ZQFCPSQLEOEHJH-UHFFFAOYSA-N 433.606 5.556 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4ccccc4c3)cc2Cl)cc1 2330663297 UNTVVBSMWKGWAL-UHFFFAOYSA-N 440.926 7.171 30 10 IKEE C[C@@H](C(=O)Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1[N+](=O)[O-])c1ccccc1 2330933856 AUIKAWZQFWLZSG-MRXNPFEDSA-N 435.863 5.853 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)cc3)cc2Cl)cc1 2330961210 FEPTZEHOGLMRLJ-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE CC(C)(C)CC(=O)Oc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1Br 2331123521 KCVNNRNZGOLOGT-UHFFFAOYSA-N 435.745 6.340 30 10 IKEE C=C(C)CSc1nnc(CCCC)n1N=Cc1ccc(OCc2ccccc2C)cc1 2331337425 YHZJZZPFOKIZJF-UHFFFAOYSA-N 434.609 6.059 30 10 IKEE Cc1ccccc1C=Nn1c(SCC(=O)Nc2cccc(C)c2C)nnc1C(C)(C)C 2331364467 FSGXBHSDWMCIGU-UHFFFAOYSA-N 435.597 5.114 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(C)(C)C)n2N=Cc2cccc3ccccc23)c1 2331398024 VLRMQQJCCAUFTJ-UHFFFAOYSA-N 428.605 6.520 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1cnc(C)cn1 2331430302 CLNLTWPFQDZLLV-UHFFFAOYSA-N 430.504 5.206 30 10 IKEE COC(=O)c1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CCC2)cc1 2331525886 OGHKMRWOSCMREI-UHFFFAOYSA-N 440.956 5.160 30 10 IKEE C=CCSc1nnc(C2CCC2)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2331532528 QQPJYWIMKYXXBT-UHFFFAOYSA-N 438.984 5.938 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CCC2)c1 2331535301 HAYKMTCWDYCYDO-UHFFFAOYSA-N 428.561 5.887 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OC(=O)c1ccco1 2331550034 DYGHYHLWRJRSGV-UHFFFAOYSA-N 448.515 6.100 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1cccc2ccccc12 2331659085 VRXPKXAQGGYJOC-UHFFFAOYSA-N 436.584 6.712 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1 2331872699 HGSDAGHUKOVMIU-UHFFFAOYSA-N 442.898 6.617 30 10 IKEE C[C@@H](Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCN(Cc2ccccc2)C1 2339537651 WOEQDXBCBNCCNX-ITTSFCMDSA-N 433.405 5.049 30 10 IKEE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2365102160 ZAUWBPKPAFLOIY-NHCUHLMSSA-N 447.432 5.295 30 10 IKEE CN(Cc1ccccc1)C1(CNc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCCC1 2365110614 SOTZLCQQAQACCB-OBGWFSINSA-N 447.432 5.583 30 10 IKEE COc1cccc(COc2ccc3c(c2)O/C(=C/C2=Cc4ccccc4O[C@@H]2C)C3=O)c1 2130911 KLOVVVTVQKMDMX-OXVLKEGXSA-N 426.468 5.598 30 10 IKEE CCc1c(C)sc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)c1C#N 2475873 HRCMLIAHSZCVTI-CJNGLKHVSA-N 449.458 5.193 30 10 IKEE Cc1cc(C)nc(N/C(=N\C(=S)Nc2ccc(F)cc2)Nc2cnc3ccccc3c2)n1 14159340 XKSGKRRAIFSUAE-UHFFFAOYSA-N 445.527 5.058 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(O)cc2)cc1 21226862 OZBLUESEQWINFN-PPHZAIPVSA-N 426.516 5.770 30 10 IKEE COc1ccccc1NC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1 21355933 ZJXSAIKIUPADPQ-DEOSSOPVSA-N 429.476 5.501 30 10 IKEE CCOC(=O)c1ccc2c(c1)nc(SCc1ccccc1C#N)n2Cc1cccc(F)c1 25143885 JWDRXYJELIQBJC-UHFFFAOYSA-N 445.519 5.564 30 10 IKEE COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1c2ccccc2cc2ccccc12 58949772 MLZIUNWMAZURMC-HSZRJFAPSA-N 427.500 5.093 30 10 IKEE Cc1ccc(-n2nc(C)c(/C=N/N=C(\O)C(F)(F)C(F)(F)C(F)(F)F)c2C)cc1C 59148263 GMJWDLJKPYUJFC-MWRNPHMMSA-N 438.347 5.229 30 10 IKEE CCCCn1c2ccccc2c2nnc(N/N=C/c3ccc(OC(C)C)c(OC)c3)nc21 64981471 IMYOCPCXGKUWRS-MFKUBSTISA-N 432.528 5.021 30 10 IKEE Cc1ccc(C(=O)/C=C\c2cn(C[C@@H](O)CN(CC(C)C)CC(C)C)c3ccccc23)cc1 96498609 KENONSNWMMABQW-VMPOVSTKSA-N 446.635 5.821 30 10 IKEE Cn1cc(/C=C2\Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc3C2=O)c2ccccc21 103024676 CTEWFGVGVMEDSK-FMCGGJTJSA-N 429.859 5.667 30 10 IKEE CCCCCCCCCCCCCCCCCCCC(=O)OCC(=O)c1ccccc1 108970098 OGMQFXDIIZMSRG-UHFFFAOYSA-N 430.673 8.454 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccc(F)cc2)cc1 169922045 XCORERGHIAFLLJ-NRFANRHFSA-N 437.854 5.271 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2c2cccc(C)c2)cc1 169922718 RHCWKOLVMBMDLG-XMMPIXPASA-N 443.499 5.104 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2cccs2)cc1C 169988176 RVOBPJBAYYLIGC-FQEVSTJZSA-N 425.456 5.426 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1 170048419 LDXPKLDWGKGCID-JOCHJYFZSA-N 433.891 5.127 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccc(Cl)cc3)[C@H]2c2ccco2)c1 170096712 QZODLNYVUUFOJS-QFIPXVFZSA-N 435.907 5.371 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccs2)cc1C 170159344 VRUDIJACYLPZDD-QFIPXVFZSA-N 433.529 5.628 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1cccs1 170161653 PLHSFWZFTQPOIS-IVZQSRNASA-N 431.513 5.163 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OCC(C)C)cc1 170167339 ZGIJGGNRLJMOEM-NRFANRHFSA-N 427.928 5.363 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(OCC(C)C)cc1 170167433 JKFYEBPVJAAGOS-RUZDIDTESA-N 443.543 5.863 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccncc2)cc1C 170202844 CRHGWJSLBJFWDL-XMMPIXPASA-N 442.515 5.107 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccccc2)c1 170226428 SBQCEARRZUWCTL-HSZRJFAPSA-N 447.918 5.912 30 10 IKEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)cc4F)[C@@H]3c3ccccc3)ccc2O1 170229283 LVHIOTXMLCVWEV-QKFKETGDSA-N 447.437 5.071 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccc(F)cc1)c1cc2ccccc2o1 170238231 MVZFUDBRGMKMFV-QFIPXVFZSA-N 431.394 5.494 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(C(C)C)cc1 170245272 HNSITIGPZVXRNY-OAQYLSRUSA-N 446.374 6.495 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2F)cc1C 170248283 XTWHCCLYBFJQCY-JOCHJYFZSA-N 435.426 5.065 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1c1cccc(F)c1 170270706 JSOIQYBBELIBPI-HSZRJFAPSA-N 426.447 5.398 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2C)cc1C(C)C 170275398 IYCZIGRKIVSMHU-VWLOTQADSA-N 447.575 6.038 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccc(C)o2)c(C)c1 170299907 CUIXAPSYKAYGRS-QHCPKHFHSA-N 431.488 5.305 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2sccc2C)c1 170317574 FDRDRNDOULLYFN-IBGZPJMESA-N 445.968 5.630 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)cc1)c1ccccc1 170339666 QRNGSZOYKVJOMA-FQEVSTJZSA-N 440.282 5.482 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1)c1cccs1 170376658 ZRSWJZQHEIHUNA-SFHVURJKSA-N 448.302 5.977 30 10 IKEE C=CCn1c(SCC(=O)NCc2cccc(Cl)c2)nnc1-c1ccc2ccccc2c1 253572423 QDRVBTBVHBDWEE-UHFFFAOYSA-N 448.979 5.346 30 10 IKEE Clc1ccc(N=Cc2c(-c3ccccc3)n(-c3ccccc3)c3ccccc23)cc1Cl 254761787 IDMNDYAUJUKNBW-UHFFFAOYSA-N 441.361 8.355 30 10 IKEE Cc1cccc(N=C2S/C(=C3/Sc4ccccc4N3C)C(=O)N2c2ccc(F)cc2)c1 254813194 FSSNWONTRIYKEH-GAUWVFOVSA-N 447.560 6.313 30 10 IKEE Cc1cc(Br)cc(Cl)c1OCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 302652464 WFDAYEYQLIGSMP-UHFFFAOYSA-N 437.570 5.289 30 10 IKEE Cc1cc(NC(=O)c2ccccc2OCc2ccccc2)cc(B2OC(C)(C)C(C)(C)O2)c1 405027157 KGKKHTMEZSUCPP-UHFFFAOYSA-N 443.352 5.126 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(C)o2)c1 526515631 IXPRJNNDXUXJMJ-DEOSSOPVSA-N 428.488 5.696 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccc(C)c2)cc1OC 526515821 KMKUXGRTGBTXDT-RUZDIDTESA-N 440.499 5.331 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1ccc(Br)cc1 526745007 WIVIVCZRXXLICQ-NRFANRHFSA-N 448.316 5.540 30 10 IKEE CCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1ccc(C(C)(C)C)cc1 526805420 FWPIIXWKTWBFDM-VEILYXNESA-N 448.680 7.000 30 10 IKEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1ccccc1C(F)(F)F 526814012 IOQBCBZYLMFEEI-OPVMPGTRSA-N 445.297 6.087 30 10 IKEE CC[C@H](/C=C/[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 616581914 FFKIQLXJMQUBQZ-HMUUIRRXSA-N 426.685 6.980 30 10 IKEE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@H](C#N)c1cc(Br)ccc1Cl 698469165 GFYBVTSHCSTNFI-XJKSGUPXSA-N 429.742 5.083 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 724070737 VPOUTXDWOXYGDW-MZNJEOGPSA-N 445.560 5.024 30 10 IKEE C=C1CCC(C[C@@H](NCC)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)CC1 724611070 PPHZZZDUBLCIOF-SQHAQQRYSA-N 441.660 5.270 30 10 IKEE C[N+](C)=C1C=CC(=CC2=C3SC(c4cccs4)=CC(c4cccs4)=C3CC2)C=C1 1082889331 IWSULYSQTNHRIO-UHFFFAOYSA-N 432.659 7.165 30 10 IKEE CCCCCCCCOc1ccc(C=NN=c2c3ccccc3[nH]c3ccccc23)cc1 1083940643 CRPFRXQULFSBSB-UHFFFAOYSA-N 425.576 6.995 30 10 IKEE CCOC(=O)c1ccc(-n2c(C)cc(C=Nc3sc4c(c3C#N)CCCC4)c2C)cc1 1084486064 GTRAFJCGTKMPJE-UHFFFAOYSA-N 431.561 5.833 30 10 IKEE C=CCCCn1c([C@@H](CC)c2ccccc2)nnc1N(C)Cc1nc(O)c2sccc2n1 1507942033 AZVJFGYBQOZSCV-SFHVURJKSA-N 448.596 5.133 30 10 IKEE Cc1ccc(C(=O)N2c3ccc(F)cc3/C(=N\c3ccc(F)cc3F)C[C@H]2C)cc1F 1615948470 NMNWJGNZSAXEDD-ZSBBBTQYSA-N 426.413 6.111 30 10 IKEE CCN1C(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)SC1=Nc1cccnc1 1772731913 RTSBYUYQQZCYST-NEAWXCLQSA-N 449.963 5.938 30 10 IKEE O=C1/C(=C\c2cccc(Br)c2)SC(=Nc2nccs2)N1C1CCCCC1 1772732990 GGWZDUYQFUUVQH-KBQFJHCTSA-N 448.411 5.842 30 10 IKEE CCN(CC)c1ccc(NC(=O)CSc2nc3cc(OC)ccc3cc2C#N)c(C)c1 1858204684 JYKLQALMFHAPGC-UHFFFAOYSA-N 434.565 5.001 30 10 IKEE Cc1ccc(/C=C/C(=O)Nc2cccc3c(OC(=O)c4cccc(C#N)c4)cccc23)cc1 1858923158 FHVKDQIFNSUGQB-FOCLMDBBSA-N 432.479 5.891 30 10 IKEE N#Cc1ccccc1NC(=O)c1cc(-c2cccc3c2CCCC3)n(Cc2ccccc2)n1 1859393998 ZJPFLSZFIAIAJX-UHFFFAOYSA-N 432.527 5.601 30 10 IKEE N#Cc1c(NC(=O)c2ccc3oc(-c4ccccc4Cl)nc3c2)sc2c1CCCC2 1859743083 XIRPDQBQFPARED-UHFFFAOYSA-N 433.920 6.212 30 10 IKEE O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(c1ccc(F)cc1F)C1CCCC1 1860416435 HRXNZUGUPXHYPA-UHFFFAOYSA-N 437.330 6.592 30 10 IKEE CCc1cccc(OCC(=O)Nc2cc(NC(=O)c3cccc(C#N)c3)ccc2Cl)c1 1860461934 ZOJWMKJVCLVRKX-UHFFFAOYSA-N 433.895 5.044 30 10 IKEE N#Cc1cccc(NC(=O)c2ccnc(NC(=O)CC(c3ccccc3)c3ccccc3)c2)c1 1860506550 FUBODUKOQGSCMS-UHFFFAOYSA-N 446.510 5.366 30 10 IKEE N#Cc1cccc(C(=O)Oc2ccc(C3=CCN(C(=O)c4ccc(Cl)s4)CC3)cc2)c1 1860682920 GFAREPKSQYYXHA-UHFFFAOYSA-N 448.931 5.422 30 10 IKEE CCCCCCCCNC(=O)[C@@H](NC(=O)c1c(Cl)ccc(Cl)c1OC)[C@H](C)CC 1861146014 AMFLQERXTIRLKM-BEFAXECRSA-N 445.431 5.623 30 10 IKEE CCCCCCCCNC(=O)[C@](C)(CC)NC(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1 1861425809 AEXZDJKFLJRWLF-MHZLTWQESA-N 448.611 5.605 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOCC)[C@@H]2c2cccc(F)c2)cc1 1862390538 GHKHUQJBWQJQIP-HSZRJFAPSA-N 439.527 5.173 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(O)cc1 1862412182 YIFGDECAMNLNAF-JOCHJYFZSA-N 443.490 5.609 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)cc1 1862414129 SHODXBJEDYQDII-PRPYNDMISA-N 441.474 5.130 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(Br)cc1 1862438906 GKNPMGAOXDSNMF-GOSISDBHSA-N 448.744 5.481 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1c(Cl)cccc1Cl 1862482762 SXLSWWHNBOTFCC-FQEVSTJZSA-N 448.346 5.307 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(N(C)C)cc2)c1 1862493297 MMUHIFHCWQJAQX-VWLOTQADSA-N 446.591 5.671 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(C(C)C)cc1 1862503756 FAVPZXGTGHCYIJ-HSZRJFAPSA-N 439.527 5.262 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862508558 LDJQYZOJUDRXMI-BLVKFPJESA-N 436.310 5.818 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2ccc(O)cc2)cc1 1862529033 BEDHFSNRPNFLLS-DEOSSOPVSA-N 427.500 5.042 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C23CC4CC(CC(C4)C2)C3)c1 1862589356 JUSJMNIQBIEINB-GETQMSEISA-N 443.543 5.248 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(Cl)cc1 1862591102 CXRXYNBRRFLGKA-JOCHJYFZSA-N 441.955 5.984 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2cccc(O)c2)cc1 1862661042 BWTIECLBIPQTAQ-HSZRJFAPSA-N 447.556 5.398 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2cc(Cl)cc(Cl)c2)cc1 1862667411 AHEKPUADUPWMOL-ZUOKHONESA-N 448.346 5.076 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C23CC4CC(CC(C4)C2)C3)cc1 1862674130 JZCHXBBCXSQBRI-GETQMSEISA-N 445.534 5.681 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cc(Cl)cc(Cl)c1 1862680201 WGIQJMCCHZAFFS-LJQANCHMSA-N 436.310 5.901 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccccc2Cl)c1 1862700467 GYLAWCMIIYTBRU-MWTRTKDXSA-N 447.918 5.688 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2C2CCCC2)cc1 1862707724 CLBRDCCQYVSPIQ-DEOSSOPVSA-N 448.563 5.062 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CC)cc1 1862718837 GVVJYMYLJRURHK-RUZDIDTESA-N 443.543 6.007 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccc(O)c1 1862721840 JWFLWQGWKKMLIK-RUZDIDTESA-N 441.527 5.828 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccccc2F)C1=O 1862917113 HOEHOVXGHXNURA-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE CCCCCCCCCCNC1=C(c2cc(C)ccc2C)C(=O)N(Cc2ccccn2)C1=O 1863735711 ALEWPIPAMYCHIF-UHFFFAOYSA-N 447.623 5.709 30 10 IKEE Cc1nc(Nc2ccccc2C#N)cc(N2CCC[C@H](C(=O)CCCc3ccccc3)C2)n1 1868490599 MINRJZXAIBGEDB-QHCPKHFHSA-N 439.563 5.209 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](CCCC)NC(=O)[C@@H](c1ccc(Cl)cc1)C1CCCC1 1868880288 ZNYQLBKGDGTKNO-XZOQPEGZSA-N 431.020 5.489 30 10 IKEE N#Cc1nnn(-c2ccc(Cc3ccccc3)cc2)c1NC(=O)c1ccc(C(F)(F)F)cc1 1870149284 PUDIUQLAKOKOQE-UHFFFAOYSA-N 447.420 5.001 30 10 IKEE Cc1ccc(SCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCC(C)C)cc1 1870233152 CVDUYWGXPRTOSD-UHFFFAOYSA-N 432.589 5.946 30 10 IKEE CCCCCCCOc1cn(Cc2cccnc2)c(CSCc2ccccc2)cc1=O 1870252182 HKWZGJZSALOYDX-UHFFFAOYSA-N 436.621 6.074 30 10 IKEE CCCCN(CC)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCC1=CCCCC1 1870350578 MONZSBFOQYLJJF-UHFFFAOYSA-N 447.623 5.811 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)N(CCC)CCC)c(=O)cc1CN(C)C 1870463125 BSMVXGQKIJVYDP-UHFFFAOYSA-N 449.680 5.078 30 10 IKEE CCCCCCCOc1cn(Cc2cccnc2)c(CNc2ccc3nc[nH]c3c2)cc1=O 1870833787 STTABCRCQSNAJB-UHFFFAOYSA-N 445.567 5.129 30 10 IKEE CCCCCCCCN=c1[nH]c(Nc2cc(C(C)C)cc(C(C)C)c2)ncc1[N+](=O)[O-] 1871308907 MBMQLFQSUAJJQH-UHFFFAOYSA-N 427.593 6.570 30 10 IKEE COc1ccc([C@@H](C)N2COc3c(cc4c(c3C)O/C(=C\c3ccc(C)o3)C4=O)C2)cc1 1871359664 UWMLDNLWGBZHOL-NSTHGIQOSA-N 431.488 5.434 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc(C)c3C2=O)cc1 1871373860 ILSQZRSNNSWZFS-FBHDLOMBSA-N 449.846 5.700 30 10 IKEE Cc1c(OC(=O)c2cccc(OC(C)C)c2)ccc2c1O/C(=C\c1ccc(Cl)cc1)C2=O 1871387893 DEXXGQWTYXRQAH-QRVIBDJDSA-N 448.902 6.271 30 10 IKEE Cc1cc(O)c(CN2C[C@H](C)O[C@@H](C)C2)c2c1C(=O)/C(=C/c1c(Cl)cccc1Cl)O2 1871395289 NBFQKWBWTISMIZ-OOGPTDTPSA-N 448.346 5.233 30 10 IKEE Cc1c(OCCCCOc2ccccc2)ccc2c1O/C(=C\c1ccc(Cl)cc1)C2=O 1871403272 IQNJKNXHUNMRNC-ULJHMMPZSA-N 434.919 6.503 30 10 IKEE CCc1cccc(CC)c1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccco1)C2=O 1871409101 XIKPFEGGCSDJQY-NQRZERFFSA-N 445.515 5.735 30 10 IKEE CN(C)c1ccc(/C=C2\Oc3cc(OCCOc4ccc(Cl)cc4)ccc3C2=O)cc1 1871413268 XDJHJKPHZXLCDH-IWIPYMOSSA-N 435.907 5.480 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OCC(=O)Nc3c(F)cccc3F)cc(C)c2C1=O 1871440669 AXATYWFYEUKBPD-ZDLGFXPLSA-N 441.455 5.277 30 10 IKEE CCCCCCCCCCN=c1nc(N(CC)CC)[nH]c(=Nc2ccc3cc[nH]c3c2)[nH]1 1871589224 LAWMWNLIPJVMMW-UHFFFAOYSA-N 437.636 5.339 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccc(C)cc1 1872445880 PFVZHQSWLIFMLV-DEOSSOPVSA-N 442.625 5.493 30 10 IKEE Cc1cc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)ccc1F 1872759304 KBYBCNRXMBEEDX-JOCHJYFZSA-N 426.516 6.344 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4nc(C)c(C)nc4c3)n2)cc1C 1872765437 OWIHTEUFXSUZDA-GOSISDBHSA-N 428.517 5.177 30 10 IKEE Cc1ccc(C)c(-c2csc([C@H](C#N)C(=O)/C(=C\c3ccccc3)c3ccccc3)n2)c1 1872771895 FNWCNVXORSMZCF-HZRUTDPJSA-N 434.564 6.844 30 10 IKEE N#C[C@@H](C(=O)c1ccc(-c2ccccc2)cc1)c1nc(-c2cccc3ccccc23)cs1 1872775578 URKRRXAHAJZFQE-VWLOTQADSA-N 430.532 7.120 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)c2ccc(F)c(F)c2F)n1 1872786720 QJXCYBOFCIPJCV-CYBMUJFWSA-N 436.842 5.688 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(F)c(C)c3)n2)c2ccccc12 1872787224 DWBGJWKCQMPOJL-FQEVSTJZSA-N 430.504 5.838 30 10 IKEE CCCCCCCCNC(=O)c1ccc2nc(CCCOc3ccc(Cl)cc3)[nH]c2c1 1872808064 RGSKKRIQXZLENE-UHFFFAOYSA-N 442.003 6.318 30 10 IKEE Cc1ccc(COc2ccc(/C=N/Nc3oc([C@@H]4C[C@H]4c4ccccc4)nc3C#N)cc2)cc1 1873470447 IFAOSZGUAQCAFJ-SMKWBROGSA-N 448.526 6.151 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)C12CCCC2 1873936714 OTTYRGJFUHYVNV-RUZDIDTESA-N 440.672 6.452 30 10 IKEE CCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccc(Cl)cc1 1874244392 CUUHNJVDQUPNDG-MFKUBSTISA-N 429.033 6.075 30 10 IKEE CCCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1cn(C)c2ccccc12 1874284629 PZZLSDWSZDKACJ-MFKUBSTISA-N 438.000 5.593 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3C)n2/N=C/c2ccc(O)cc2)cc1 1874359811 ADRPKJAVHNVROC-WPWMEQJKSA-N 442.588 5.560 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCc3ccccc3C)nnc2-c2ccccc2Cl)c1 1874364864 YUJUXMCCLHLCNU-VULFUBBASA-N 448.979 6.095 30 10 IKEE Fc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCCc2ccccc2)c(F)c1 1874416692 CTWSQUBIWVDIQO-WPWMEQJKSA-N 434.515 5.364 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2-c2ccccc2)c1 1874429681 WHCDMLLRPJOKMJ-AFUMVMLFSA-N 434.952 5.787 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CCCC2)c(F)c1 1874457131 BVDVMTGJQCDVFD-BRJLIKDPSA-N 432.927 6.042 30 10 IKEE Cc1cccc(CSc2nnc(C3CC3)n2/N=C/c2cc(Br)ccc2F)c1 1874515993 AKNYGWCQEUWEAV-FOKLQQMPSA-N 445.361 5.540 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl 1874576991 QDAIQOVECVAVDL-JXMROGBWSA-N 447.745 7.131 30 10 IKEE Cc1ccc(C(=O)/C=C/c2c(OCc3nc(O)c4ccccc4n3)ccc3ccccc23)cc1 1874579325 IOGIBKHSZFJDRP-FOCLMDBBSA-N 446.506 6.272 30 10 IKEE CCN(CC)C(=O)COc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1OC 1874596300 LKOBGWKLGNGFDJ-UXBLZVDNSA-N 436.335 5.145 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1OCc1ccccc1 1874602401 KCGXEABNUYTBME-VAWYXSNFSA-N 448.431 5.377 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2OC)cc(OC)c1OCc1ccccc1C 1874611527 MZXOTCRNVOOXHK-FOCLMDBBSA-N 428.528 6.216 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OCC(=O)OCC(C)C 1874633243 SMKUSXZKVAGCKR-CSKARUKUSA-N 444.955 5.830 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1 1874634169 OEAWCDDHCZPIJG-NTCAYCPXSA-N 427.544 6.088 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(C)c(C)c3)c2)cc1OC 1874693869 AFFPAYJLFGZNJA-YRNVUSSQSA-N 446.499 5.445 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cc(Cl)ccc3Cl)c2)cc1 1874694626 MQQOSDZYUSBRDC-MDWZMJQESA-N 425.311 6.671 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1)c1cccc(Cl)c1 1874699330 PNWOSUDSUZZVLO-JXMROGBWSA-N 442.254 6.017 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccccc2OCC)CSc2nnc(CC)n21 1874835395 RZMXLWLZBDKGOC-IBGZPJMESA-N 430.618 5.301 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)CCC)c(OCC)c2)cc1 1875106350 OKABXSPJUVMSCY-NTCAYCPXSA-N 428.956 6.683 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(C)c3)cc2)c1 1875107193 FILYOICONBXUQQ-KPKJPENVSA-N 446.499 5.065 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)c2cccs2)c(Br)c1 1875118695 JJWKOEUFMURGGZ-CSKARUKUSA-N 443.318 5.635 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)Cc1ccc(Cl)cc1 1875142910 ZLIWQEPMXPBVIR-VZUCSPMQSA-N 438.882 5.840 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc([N+](=O)[O-])c1OC(=O)C(C)C 1875149405 OOVFVBCYGUVVJF-MDWZMJQESA-N 439.508 5.749 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccco3)c(Br)c2)cc1F 1875153121 QQZHSQXBXPOMPA-QPJJXVBHSA-N 445.240 5.305 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OC(=O)CCc3ccc(Cl)cc3)cc2)c1C 1875168508 GQAISWZOPATONW-OQLLNIDSSA-N 446.974 7.008 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)c(C)c3)c(OC)c2)c(OC)c1 1875178116 URJGHFHRMWNZFD-KPKJPENVSA-N 446.499 5.445 30 10 IKEE O=C(CCc1cc(Cl)ccc1Cl)NCC#CCOc1cccc(C(F)(F)F)c1 1891124991 KKLWIHQFCIYPRU-UHFFFAOYSA-N 430.253 5.143 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](O)c1sc(CC)cc1Br 1922053716 DXROFLHHTXKVLJ-WOJBJXKFSA-N 438.431 5.248 30 10 IKEE CCCC[C@@H](CC)Cn1c(O)c(N=Nc2ccc(Cl)cc2[N+](=O)[O-])c(C)c(C#N)c1=O 1933225815 VKDCANFUZVSDJA-CQSZACIVSA-N 445.907 5.927 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@]1(C(C)(C)C)CCN(C(=O)OC(C)(C)C)C1 2008767636 KAOXQYAVOPURMB-BKMJKUGQSA-N 430.633 5.411 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCCC[C@H]2NC(=O)OC(C)(C)C)cc1 2031500753 YIDWBUQJGCBMEK-NLFFAJNJSA-N 443.588 5.856 30 10 IKEE C=CCN(CC[C@@H](NC)c1ccc(Cl)c(Br)c1F)C(=O)OC(C)(C)C 2037957370 DNJXTMTYPQZBLV-CQSZACIVSA-N 435.765 5.315 30 10 IKEE Cc1ccc(-c2cc(C=Cc3ccc(C(=O)O)cc3)c(C#N)c3nc4ccccc4n23)cc1C 2040461420 OZKQIXBIGIKXMP-UHFFFAOYSA-N 443.506 6.512 30 10 IKEE CCCN[C@]1(C#N)C[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)CC[C@H]1C 2055581781 BFQUESOGRMXNNW-KGPYPHOUSA-N 432.656 5.071 30 10 IKEE COC(=O)c1c(C(C)(C)C)nn(Cc2c(F)cccc2C(F)(F)F)c1C(F)(F)F 2079024807 HZVJHLZSYYLGEY-UHFFFAOYSA-N 426.332 5.192 30 10 IKEE Fc1cc(-c2c(C(F)(F)F)nn(C3CCCC3)c2Br)ccc1C(F)(F)F 2080792135 GQZYAWLKLQUEPE-UHFFFAOYSA-N 445.176 6.604 30 10 IKEE CCCC#CC[C@@H](NCCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2083443775 SVDGXZPHSKFLCQ-XMMPIXPASA-N 441.660 5.108 30 10 IKEE C=CCN(CC[C@@H](Cc1ccc(Br)cc1Cl)NCC)C(=O)OC(C)(C)C 2099293260 QRVIDGRUHMYGNI-KRWDZBQOSA-N 445.829 5.436 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@@]1(C#N)CN(Cc2ccccc2)C2(CCCC2)C1 2100067324 MOSYEIFDCLJYFR-MHZLTWQESA-N 449.570 6.048 30 10 IKEE CN1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Br)c2)CC12CCCC2 2156880287 RCIOBJGMNMABBF-NRFANRHFSA-N 434.378 5.101 30 10 IKEE CCC[C@@]1(CNc2cc(Br)c(C#N)cc2F)CCCN1C(=O)OC(C)(C)C 2162409772 JCWBBDRFNSFGSL-FQEVSTJZSA-N 440.357 5.442 30 10 IKEE CC(C)(C)OC(=O)N1Cc2ccc(CNc3ccc(C#N)c(Br)c3)cc2C1 2162412673 BFDZVKCNQNHKLW-UHFFFAOYSA-N 428.330 5.184 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@@](C#N)(Nc3ccc(Br)cc3)C[C@@H]21 2166974207 PRDWQOAUDBYIIM-FYINFDKHSA-N 434.378 5.323 30 10 IKEE CCc1cc(Oc2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)ccc1Cl 2172631166 ZXPUMIMECPCTPV-UHFFFAOYSA-N 438.558 5.151 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)Nc1ccc(C#N)c(F)c1 2181046739 MLPWGZBMUCNVOX-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(C(=O)OC(C)(C)C)CC23CC3)c1 2215217904 MPYQSWKUUPGTHW-XMMPIXPASA-N 427.545 5.030 30 10 IKEE Cc1sc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)c(Br)c1C 2229239426 PZHXYGKHIFLPTI-HNNXBMFYSA-N 439.350 6.273 30 10 IKEE CCC[C@H](CCNC(=O)OC(C)(C)C)CCC(=O)C#Cc1ccccc1Br 2235719111 FMUXOAJIEBUBKS-KRWDZBQOSA-N 436.390 5.481 30 10 IKEE CC[C@H](C)N(Cc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(Cl)c1 2247768408 QZVBZRQQUSMBEE-KRWDZBQOSA-N 427.781 5.080 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1cc(F)c(Br)cc1Cl 2256017249 QBWFFJHFDGLZNK-HXUWFJFHSA-N 426.757 6.055 30 10 IKEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CSc1cc(Br)c(C#N)cc1F 2260367788 JXCGOPZUEJKUHN-NHYWBVRUSA-N 429.355 5.197 30 10 IKEE N[C@@H](CC#CC1CCCC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2261156662 QTPRFZOQTPWHTE-MHZLTWQESA-N 425.572 6.428 30 10 IKEE C=CCCC1([C@@H](N)c2c(Br)ccc(Cl)c2F)CN(C(=O)OC(C)(C)C)C1 2266307973 NXCACAFOXBHMQH-INIZCTEOSA-N 447.776 5.445 30 10 IKEE C=CCCC1([C@@H](NC)c2c(F)ccc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2281037487 JYVNDDUXAAQAIJ-KRWDZBQOSA-N 445.348 5.191 30 10 IKEE C=CCCCCC[C@@H](NC)[C@@](C)(O)c1cc(Br)c(Br)s1 2281234891 GCEIRSXWGUSGAQ-IUODEOHRSA-N 425.230 5.205 30 10 IKEE CCN1C(=O)C(=C2Sc3ccccc3N2CC)SC1=Nc1cccc(C(F)(F)F)c1 2295201981 XEPZYMMCFVOVPS-UHFFFAOYSA-N 449.523 6.090 30 10 IKEE CN1C(=C2SC(=Nc3ccc(O)cc3)N(c3ccc(O)cc3)C2=O)Sc2ccccc21 2295203898 UPPQVMCUFAJDIF-UHFFFAOYSA-N 447.541 5.277 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(CC[C@@H](N)C#Cc2cccc(Br)c2)cc1 2296217696 XJMUUYDWVZVADB-LJQANCHMSA-N 429.358 5.108 30 10 IKEE O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccc(Cl)cc2)C1=C(O)c1ccc(Cl)cc1 2296931581 WWDCRQJPUJPTGX-HXUWFJFHSA-N 439.298 5.010 30 10 IKEE COc1ccc2c(c1)CC[C@@H]1C2=NN(C(C)=CC(C)=O)[C@@H]1c1ccc(Br)cc1 2297320997 ZXOVSPPEKNYKJJ-FYYLOGMGSA-N 439.353 5.274 30 10 IKEE COc1ccc(N=C(C)c2c(C(F)(F)F)nn(-c3nc4ccccc4s3)c2O)cc1 2297747976 ZYYBQHCYIVTKJW-UHFFFAOYSA-N 432.427 5.356 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@@H]3C[C@@H](OCc4ccccc4)C[C@@H]32)c1 2310843315 AIPUTIOSGREJRR-WCJVPVSSSA-N 432.564 6.014 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(OCc2ccccc2)cc1 2314469570 BUDKIZJHFSTLIH-RPBOFIJWSA-N 436.596 5.613 30 10 IKEE CN1C(=O)C(=Cc2ccc(-c3cccc(Cl)c3)o2)SC1=Nc1cccnc1Cl 2314540066 HZTKXAVQUGYQJY-UHFFFAOYSA-N 430.316 5.882 30 10 IKEE Cc1ccccc1COc1cc(C)c2c(c1)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2321742676 ZLLYOHJLDXRETP-UHFFFAOYSA-N 425.311 6.805 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(C(C)C)cc1)O3)CN(Cc1ccccn1)CO2 2321968647 XQZCKLSSGHWWCW-UHFFFAOYSA-N 426.516 5.482 30 10 IKEE Cc1ccc(C)c(CN2COc3ccc4c(c3C2)OC(=Cc2c(F)cccc2Cl)C4=O)c1 2322170882 YIUQUZGPSGJYHC-UHFFFAOYSA-N 449.909 6.064 30 10 IKEE O=C(C=Cc1c(OCCc2ccccc2)ccc2ccccc12)c1ccc2c(c1)CCCC2 2322331019 RARFPFUFBDRXIQ-UHFFFAOYSA-N 432.563 7.236 30 10 IKEE CCCCN1COc2c(cc3c(c2C)OC(=Cc2ccc(Br)cc2)C3=O)C1 2322346790 IFLUYGWIMCSBJH-UHFFFAOYSA-N 428.326 5.326 30 10 IKEE COc1cccc(C(=O)C=Cc2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)c1 2322371624 FDJKASGPZULAMI-UHFFFAOYSA-N 439.467 6.232 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc2c(c1C)OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2322684172 DEUSRIGLUFMEKP-UHFFFAOYSA-N 426.512 6.436 30 10 IKEE COc1ccccc1C(=O)Oc1ccc2c(c1C)OC(=Cc1ccc(C(C)C)cc1)C2=O 2322698427 PGDISJYAYQWRSG-UHFFFAOYSA-N 428.484 5.962 30 10 IKEE COc1cccc(C=CC(=O)c2cc(Cl)ccc2Cl)c1OCC(=O)OCC(C)C 2323005132 JCNPYZQIOLFOAS-UHFFFAOYSA-N 437.319 5.476 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OCC(=O)Nc1ccc(C)cc1C 2323153321 YIJYWKTUPDQXFH-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3cc(C)cc(C)c3)c2)c(C)c1C 2323248406 NFHJHOKRCYGFJP-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2cccc(OCc3ccccc3C)c2)cc1Cl 2323310043 CQRMZXPYGJPCFU-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OC(=O)c4cccc(OC(C)C)c4)ccc3C2=O)cc1 2323808040 TUZMICHWHHOWQJ-UHFFFAOYSA-N 444.483 5.708 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 2323908883 FILQMSMVRLXQGP-UHFFFAOYSA-N 441.354 7.176 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3c(F)cccc3Cl)c(OC)c2)cc1F 2324123964 RVGTUVYFYDYUFG-UHFFFAOYSA-N 444.861 6.111 30 10 IKEE COc1ccc(OC)c(C=C2Oc3cc(OCCOc4ccc(C)cc4)cc(C)c3C2=O)c1 2324538391 BAZCBIJTNSWUKY-UHFFFAOYSA-N 446.499 5.395 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)c(C)c1 2324545451 MHYQRILXFNTMEC-JOCHJYFZSA-N 427.544 5.764 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@H](C#N)C(=O)C=Cc3cccc([N+](=O)[O-])c3)n2)c1C 2324718983 CMTXCJLAYFUOKJ-HXUWFJFHSA-N 431.517 5.842 30 10 IKEE COc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc1OC 2324725722 JWWGHCDFHRBMHD-IBGZPJMESA-N 448.544 5.342 30 10 IKEE CCCCCOC(=O)COc1ccc2c(c1)OC(=Cc1c(Cl)cccc1Cl)C2=O 2325041198 MACZKZXWNJIREQ-UHFFFAOYSA-N 435.303 5.722 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1OC(=O)Cc1ccccc1 2325668241 KWNAMOCGQPMLCV-UHFFFAOYSA-N 448.518 6.406 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4F)ccc3C2=O)cc1 2325739097 ZCNPVCVPHOWEKO-UHFFFAOYSA-N 445.490 5.757 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OC(=O)c1cc(C)cc(C)c1 2325750388 BKTWMZIWRSTAJJ-UHFFFAOYSA-N 428.528 6.551 30 10 IKEE CCCOc1c(Cl)cc(C=Nn2cnnc2SCc2cccc(F)c2)cc1Cl 2326725898 KCDMYVOYXLPEBU-UHFFFAOYSA-N 439.343 5.687 30 10 IKEE C=CCSc1nnc(COc2ccccc2Cl)n1N=Cc1ccccc1OCCC 2327663996 DKBBRXJCNBRBGU-UHFFFAOYSA-N 442.972 5.460 30 10 IKEE Fc1cccc(CSc2nnc(CCc3ccccc3Cl)n2N=Cc2ccc[nH]2)c1 2327936698 DMMOQXDGPYIORQ-UHFFFAOYSA-N 439.947 5.358 30 10 IKEE Cc1ccccc1CSc1nnc(COc2c(C)cccc2C)n1N=Cc1cccs1 2328546888 OHJZSMMWBLCOGI-UHFFFAOYSA-N 448.617 6.018 30 10 IKEE C=CCSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1cccc(OCCC)c1 2328796575 CEQLKYOIHCVQER-UHFFFAOYSA-N 436.581 5.423 30 10 IKEE Cc1cccc(CSc2nnc([C@H](C)c3ccccc3)n2N=Cc2ccc(F)cc2)c1 2330073501 JSYLOWJBKIZLGY-LJQANCHMSA-N 430.552 6.052 30 10 IKEE C=C(C)CSc1nnc(CC2CCCCC2)n1N=Cc1ccc(OC(C)C)c(OC)c1 2330268267 SFHBIIVIYOFFST-UHFFFAOYSA-N 442.629 5.747 30 10 IKEE CCN(Cc1ccccc1)c1ccc(C=Nn2c(Cc3cccs3)nnc2SC)cc1 2330310220 PVQPSZPMDRPEAX-UHFFFAOYSA-N 447.633 5.561 30 10 IKEE Cc1cnc(C(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3Cl)cc2Cl)cn1 2330807740 OORXARJWAXZQMJ-UHFFFAOYSA-N 447.705 5.861 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)[C@@H]3CCCO3)c(OC)c2)cc1 2330824372 UBZMJBFGZWGQKD-QFIPXVFZSA-N 442.939 5.672 30 10 IKEE CCc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2cccc3ccccc23)cc1 2330862753 BWIDZKOHLYOKAQ-UHFFFAOYSA-N 442.632 6.757 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1 2330910658 JBISENAGBBBLOM-UHFFFAOYSA-N 434.919 6.309 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(SCCc3ccccc3)nnc2[C@H]2CCCO2)cc1 2330970085 PNNAMVGWFZMQCV-JOCHJYFZSA-N 434.609 5.644 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)[C@@H]1CCCO1 2331135856 JTVZAEWSLNJPFU-NRFANRHFSA-N 426.896 5.058 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)CCCOc3ccccc3C)cc2)ccc1F 2331332770 KOUWLHNWXGFRIS-UHFFFAOYSA-N 432.491 6.103 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1N=Cc1cccc2ccccc12 2331339069 DBRQWRRVHQXPEH-UHFFFAOYSA-N 434.996 6.602 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)c3ccccc3)c([N+](=O)[O-])c2)ccc1F 2331339941 KLVMGNJPHJVKAC-KRWDZBQOSA-N 433.435 5.648 30 10 IKEE CCCCc1nnc(SCCc2ccccc2)n1N=Cc1ccc(N(CC)CC)cc1 2331340156 UQXFRJUKVVIMTN-UHFFFAOYSA-N 435.641 5.684 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)c1sccc1C 2331519263 JZJFNZITXIWBAT-UHFFFAOYSA-N 426.465 5.328 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)CC(C)C)c(Br)c1 2331664047 SNLWDUDLEXDYRE-UHFFFAOYSA-N 445.353 5.922 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)[C@H](C)c1ccccc1 2331673285 ADUJSOVJGXRQTJ-HXUWFJFHSA-N 444.527 5.926 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1Cl 2331818746 LRVJIUKLJQYZGC-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)ccc1OC(=O)C(F)(F)F 2331869866 FKUOWYSCVFTESF-UHFFFAOYSA-N 430.378 5.221 30 10 IKEE N#Cc1nnn(Cc2cccc3ccccc23)c1NC(=O)C=Cc1ccc(Cl)c(Cl)c1 2332148971 UFZOOADCLKQBQF-UHFFFAOYSA-N 448.313 5.310 30 10 IKEE Cc1cc(CN(Cc2ccccc2)CC2CCCCC2)ccc1B1OC(C)(C)C(C)(C)O1 2343685961 GLKLEXYVFOHUAI-UHFFFAOYSA-N 433.445 5.877 30 10 IKEE CC1(C)OB(C=Cc2ccc(Nc3ccc(Br)cc3Cl)nc2)OC1(C)C 2365107226 SJJUEEIWEAARET-UHFFFAOYSA-N 435.558 5.886 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@H](C#N)c1cc(F)c(Cl)cc1Cl 2377420356 QAYOZWHMKKNUIA-QGZVFWFLSA-N 429.706 6.792 30 10 IKEE CC(C)(C)c1cc(/C=N/Nc2c3ccccc3nc3ccccc23)cc(C(C)(C)C)c1O 6950558 PZXQMTQFILOPAJ-STBIYBPSSA-N 425.576 7.135 30 10 IKEE CCCN1C(=O)/C(=C\c2cccc(Cl)c2Cl)S/C1=N\c1cccc2ccccc12 14359163 MPRHKGIDUIXRRP-OYJZPLNUSA-N 441.383 7.161 30 10 IKEE O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1ccc(O)c([N+](=O)[O-])c1)Nc1ccccc1N2 21238793 YFIUNLUYPHKXAU-QKFKETGDSA-N 433.489 5.341 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc3ccccc3c2)cc1 21257784 WPQBDNYUSKCVGT-ISKFKSNPSA-N 425.528 5.633 30 10 IKEE Cc1cc(C)c2c(c1)/C(=N/Nc1ccc(C(=O)N(CCC(C)C)CCC(C)C)cc1)C(=O)N2 22656329 FTQMWTQHIWEKTO-UHFFFAOYSA-N 448.611 5.606 30 10 IKEE C=C(C)C(=O)NCCCc1nc2ccccc2n1CCCCOc1cc(C)ccc1C(C)C 35144705 YSUFHEVKPGVTNL-UHFFFAOYSA-N 447.623 5.952 30 10 IKEE COc1cc([C@H]2c3sc(O)nc3SC[C@H]2C=O)ccc1OCc1ccccc1Cl 35531277 UOSQZMZRVCQEBD-RDTXWAMCSA-N 447.965 5.142 30 10 IKEE C=CCc1ccccc1OCCCn1c(CCCCCNC(=O)CCC)nc2ccccc21 40211304 WMWFNVLKCGBTCA-UHFFFAOYSA-N 447.623 5.863 30 10 IKEE C=C(C)C(=O)NCCCCCc1nc2ccccc2n1Cc1ccc(Br)cc1 40219754 CHAYTZZXUSUEEX-UHFFFAOYSA-N 440.385 5.252 30 10 IKEE Cc1cc(OCc2ccc([N+](=O)[O-])cc2)cc2c1C(=O)/C(=C/c1ccc(N(C)C)cc1)O2 41501743 BIVKCBFFDLFORP-QRVIBDJDSA-N 430.460 5.164 30 10 IKEE CC(=O)N1CCC[C@@H](C(=O)Nc2cc(Cl)c([C@@H](C#N)c3ccc(Cl)cc3)cc2C)C1 59747634 OAZIYIXJQWOOJQ-XLIONFOSSA-N 444.362 5.154 30 10 IKEE CCN1C(=O)C[C@@H](C(=O)Nc2ccccc2F)S/C1=N\c1cc(Cl)cc(Cl)c1 100195492 JSJQRIJDOIETPW-JJXNMMKVSA-N 440.327 5.113 30 10 IKEE CCCCCCCCCCCCCC(=O)Nc1cccc(C(=O)NC[C@H]2CCCO2)c1 100442447 XSFLBGOCHNMFFV-XMMPIXPASA-N 430.633 6.235 30 10 IKEE Cc1ccc([C@@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2c2cccc(Br)c2)cc1 102553282 SQPCACGGUYLTEZ-SADKCHQCSA-N 448.316 5.384 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2cccc(OC)c2)c1 169932711 NVQHWKKSYSYDEW-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1cccc(F)c1 169940136 PHTIHFMIIXVROE-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1cccs1)c1c[nH]c2ccccc12 169988078 SXDKKQNAJBEYSQ-HXUWFJFHSA-N 436.439 5.291 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccs2)cc1C(C)C 170159184 SSHKCLVMBUSHAK-JOCHJYFZSA-N 433.529 5.663 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2cccs2)c(C)c1 170160848 PYUHDNXVMIUYOD-XMMPIXPASA-N 439.536 6.301 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2cccs2)cc1C 170160855 CTFKPTUAGRPTKF-HSZRJFAPSA-N 447.556 5.855 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2)c1 170227205 LKKSCENCCPDTDI-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(F)cc2)cc1C 170238734 YAGQUCHYBDVSEO-QHCPKHFHSA-N 449.453 5.373 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(F)cc1 170239409 DQGMAMZAJWCLNP-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccccc1F)c1cc2ccccc2o1 170247847 DFWBMDCKLDEWHK-JOCHJYFZSA-N 431.394 5.494 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccco2)cc1Cl 170286913 AXSPXFWRFCCZPV-LJQANCHMSA-N 444.270 5.378 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2c2ccccc2O)o1 170301153 VTKOEXWJOYOSRA-QHCPKHFHSA-N 445.515 5.682 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(C)o2)cc1C(C)C 170302777 GDYGSXDQDFUVCH-QHCPKHFHSA-N 431.488 5.503 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cc4cc(Cl)ccc4o3)=C(O)C(=O)N2Cc2cccnc2)o1 170307725 KCLCLHJGLQMSNC-NRFANRHFSA-N 448.862 5.161 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@@H]1c1sccc1C 170318900 LPEICUHBWBVRMY-LJQANCHMSA-N 427.566 5.351 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(Cl)c(Cl)c2)c1 170388408 DGBSOTRQPPPYHA-IBGZPJMESA-N 428.271 5.678 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(N3CCCCC3)cc2)o1 170401661 AIISTZSZPQWIQL-JOCHJYFZSA-N 448.544 5.423 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(OCc2ccccc2)cc1 170438078 AXVCLWCKDIGGDN-RUZDIDTESA-N 445.515 5.369 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(Cl)cc2)ccc1OC 170440626 WXGYPQWVPMMSFX-JOCHJYFZSA-N 443.927 5.263 30 10 IKEE Cc1c(C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cnn1-c1ccccc1 170494072 OZBNZTOVAFJIMB-UHFFFAOYSA-N 444.494 6.232 30 10 IKEE CC(C)(C)c1ccc(OCCCNC(=O)Nc2ccccc2C#N)c(Br)c1 217298431 SINHCXBYSVKRQQ-UHFFFAOYSA-N 430.346 5.209 30 10 IKEE N#C[C@H](Nc1cccc(Br)c1)c1ccc(Br)c(Br)c1 232455192 BPMOWVREIHRKKU-AWEZNQCLSA-N 444.952 5.651 30 10 IKEE CC1=NN(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)C1=NNc1ccc2ccccc2c1 252463169 ZJEHKTWLLIMQRQ-UHFFFAOYSA-N 445.935 5.807 30 10 IKEE CCc1ccccc1N=C1S/C(=C/c2ccccc2OC)C(=O)N1c1ccccc1CC 252642206 ZJXFXNJPTOKNLR-OFGWUVNBSA-N 442.584 6.629 30 10 IKEE CCCC[C@H](CC)OC(=O)CSc1nnc(N/N=C(\C)C23CC4CC(CC(C4)C2)C3)[nH]1 253579362 ZNRZQMOUZFSXTG-LSIOFFOCSA-N 447.649 5.413 30 10 IKEE CCOc1ccc(NC(=O)c2c(N=Cc3cccc(F)c3)sc3c2CCCCC3)cc1 254567081 OUWRLHSEXYEVHV-UHFFFAOYSA-N 436.552 6.558 30 10 IKEE CCCCCCCOc1ccc(C=c2sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1 254769401 MQKSSKISGXYPIP-GSOGFDJBSA-N 445.588 5.218 30 10 IKEE Cc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccc(C(F)(F)F)c2)cc1 526490185 FDERASZIRQCMPH-QFIPXVFZSA-N 434.417 5.943 30 10 IKEE CC(C)Oc1ccc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526606195 IPTCXWZVQWRNJM-DEOSSOPVSA-N 444.918 6.056 30 10 IKEE CCCCOc1ccc(/C=N\n2c(CCCC)nnc2SCc2cccc(C)c2)cc1 526808702 OKGBVLCFHKESHL-ITYLOYPMSA-N 436.625 6.283 30 10 IKEE CCCCCCCCC[C@H](CN)N(C(=O)OC(C)(C)C)c1ccccc1Br 698282859 WPXQHOSGFNCOEG-GOSISDBHSA-N 441.454 6.659 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@@H](C#N)c1cccc(OCc2ccccc2)c1 698989685 NFSQOKOPVISZMU-DEOSSOPVSA-N 448.950 6.925 30 10 IKEE C=CC[C@@H](C)[C@H](NCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 715786521 GTXXBKRJGMDREG-LZQZEXGQSA-N 425.411 5.075 30 10 IKEE CCCCN(CCCC)CN1C(=O)/C(=C/C=C\c2ccccc2)SC1=Nc1ccccc1 725413832 VZCYVBBKKJLBOR-DCHHSYNGSA-N 447.648 6.707 30 10 IKEE N#Cc1cc(Br)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 953068305 FOLQZNPDJNSHSS-UHFFFAOYSA-N 435.930 5.969 30 10 IKEE C=C(CC[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)[C@H]1CC[C@H]1[C@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]12C 1082881190 HKRMRIDUAZDXGO-XPMRFLBSSA-N 440.712 7.754 30 10 IKEE Cc1ccc(NC(=O)CCSc2n[nH]c(NN=Cc3cccc4ccccc34)n2)c(C)c1 1084154017 NVLYVMCIUOWMNS-UHFFFAOYSA-N 444.564 5.142 30 10 IKEE CC(=O)C(=NNc1ccc(Cl)cc1)Sc1ncc(-c2ccccc2)n1-c1ccccc1 1084308612 PEEFFZNNQWQUSA-UHFFFAOYSA-N 446.963 6.299 30 10 IKEE CC(CC(C)C)=NNc1nc(SCCC(=O)Nc2cc(Cl)ccc2Cl)n[nH]1 1084387985 OZMHDGARIMPPMW-UHFFFAOYSA-N 429.377 5.066 30 10 IKEE CC1(C)[C@@H](C(=O)Nc2ccccc2N=C/C=C/c2ccc([N+](=O)[O-])cc2)CC[C@]1(C)C(=O)O 1084468316 SQGJAJWFORJZOI-XFBZLEACSA-N 449.507 5.476 30 10 IKEE O=C1C(=NN(c2ccccc2)c2ccccc2)c2ccccc2N1C/C=C/c1ccccc1 1084559329 SNSVMOINPWECOM-HPLOHQKDSA-N 429.523 6.289 30 10 IKEE Cc1cccc(/C=C2/SC(=Nc3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)c1 1088691895 FYBHJQSTZOTPNA-OMYHDSEFSA-N 439.367 7.110 30 10 IKEE COc1ccc(/C=C\C(=O)[C@@H]2CC[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]23C)cc1 1088741840 PEGAPZRVEJMUDP-FCTFWODUSA-N 434.620 6.217 30 10 IKEE C=CCOc1ccccc1CN(C(=O)c1nnc2ccccc2c1O)c1ccc(C)c(C)c1 1443636952 YBEJAAUWVOJKHO-UHFFFAOYSA-N 439.515 5.364 30 10 IKEE COc1ccc(-n2cc(/C=N\NC(=S)Nc3ccccc3)c(-c3ccc(F)cc3)n2)cc1 1857808517 FOLQCHQPWKVPBF-YSMPRRRNSA-N 445.523 5.008 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 1861815721 RDDLGONNQJFTHB-OAQYLSRUSA-N 433.593 5.449 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 1862393268 RIEIRNZJWRCQSZ-JOCHJYFZSA-N 436.508 5.172 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(C)cc1 1862412292 AXHBZSZGONOBMI-JOCHJYFZSA-N 443.490 5.058 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CCCC2)cc1 1862421129 UXWVDIZFGSDKTG-QFIPXVFZSA-N 439.502 5.783 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc(O)c1 1862430261 GXGAXUYYECORRC-JTSKRJEESA-N 441.955 5.983 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1CCc1ccc(F)cc1 1862443439 PLJJTLBUONPGPA-QHCPKHFHSA-N 449.909 5.609 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCC2)cc1OCC 1862485005 UXGLQHLEXDVCQM-DEOSSOPVSA-N 449.547 5.313 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(C)cc1 1862487170 USWIBFJSGWKFGJ-RUZDIDTESA-N 433.592 6.551 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@H](C)CC)cc1 1862496761 SAJIKBFELBNQHV-DVECYGJZSA-N 435.564 5.859 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862510573 CBZVBMGQJZIKJG-BUXKBTBVSA-N 446.862 5.073 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(F)cc1F 1862583693 ILSJEPPCMNCLOW-YPMLDQLKSA-N 440.273 5.648 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1cccc2ccccc12)c1cccc(O)c1 1862592434 CTJMZCUOJDSPMB-RUZDIDTESA-N 441.527 5.847 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862597096 LSPWNVPOPBOZRA-XDHUDOTRSA-N 443.499 5.130 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(Cl)cc1 1862617111 FTEMDAULBHSPSW-YCRPNKLZSA-N 425.956 6.014 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccccc1 1862617402 YYILHVUXAVTGFF-QHCPKHFHSA-N 435.564 5.378 30 10 IKEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccc1 1862649359 WMDWNFZWLAMFMX-VWLOTQADSA-N 442.559 5.150 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccc(O)cc2)cc1 1862661296 CVUOLTSKALJSJU-RUZDIDTESA-N 447.575 6.207 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2cccs2)c1 1862663289 QOQLHFVVCFHQTQ-QHCPKHFHSA-N 447.556 5.659 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C(C)C)cc1 1862684357 UVECKTAITLVXEK-QFIPXVFZSA-N 425.500 5.381 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cccc(Cl)c1)c1ccc2ccccc2c1 1862712739 YLFUKTAHNJLRLM-QHCPKHFHSA-N 431.919 6.014 30 10 IKEE Cc1ccc(NC2=C(c3cc(Cl)ccc3Cl)C(=O)N(c3ccccc3C#N)C2=O)cc1 1863018711 WOTAQOGLPZBPRU-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE Cc1cc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc4ccccc4c3)C2=O)ccc1F 1863089416 MMXGGVIDYSPAOB-UHFFFAOYSA-N 447.469 5.556 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2OC)=C(c2ccc(C)c(C)c2)C1=O 1863251572 BUCLOTVLJRFPNF-UHFFFAOYSA-N 434.580 5.865 30 10 IKEE CCCCCCN1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863288103 QLCOEYIJYWVPMT-UHFFFAOYSA-N 442.346 5.637 30 10 IKEE Cc1cc([C@@H](CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(C)C)ccc1F 1868172192 HNNZTUGWZZYDIO-KRWDZBQOSA-N 435.383 6.940 30 10 IKEE CCc1nc(Nc2cccc(C#N)c2)cc(N2CCc3cc(C)ccc3[C@@H]2CC(C)C)n1 1868268798 WXTAFXWQPJFIAO-DEOSSOPVSA-N 425.580 6.113 30 10 IKEE CC(C)(C)c1nc(Nc2ccc(C#N)cc2)cc(N2CCC[C@@H]2c2nc3c([nH]2)CCCC3)n1 1868356231 VWZRXQLLQKUKTP-OAQYLSRUSA-N 441.583 5.333 30 10 IKEE CC(C)[C@@H]1c2ccccc2CCN1c1cc(Nc2ccccc2C#N)nc(-c2ccccc2)n1 1868372074 ATIUFSRELFAQIW-MUUNZHRXSA-N 445.570 6.519 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](CCSC)NC(=O)C[C@H](c1ccc(C(C)C)cc1)C(C)C 1868704518 JXIZLEYDVICEFY-BJKOFHAPSA-N 444.685 5.378 30 10 IKEE C=CCN(CC=C)c1cc(N2CCN(c3ccc(Oc4ccccc4)cc3)CC2)nc(C)n1 1869288111 AKRRBCAMODSIMV-UHFFFAOYSA-N 441.579 5.082 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N2CCC[C@@H](C)C2)nn1-c1cccc(Cl)c1 1869985000 JBLOTTNYXGUZLQ-GOSISDBHSA-N 432.012 5.846 30 10 IKEE CCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN(CCCC)CCCC 1870349482 PERZVIMVVDOJSR-UHFFFAOYSA-N 437.628 5.891 30 10 IKEE CCCCCCCCn1cc(OCCCCCCC)c(=O)cc1CN(CCC)CCCC 1870412609 FBWATTPCLJJAIQ-UHFFFAOYSA-N 448.736 7.570 30 10 IKEE C=CCOc1cn(Cc2ccc(C)cc2)c(CNc2ccc(OC(F)(F)F)cc2)cc1=O 1870814137 XZHNTLMSXLQFSK-UHFFFAOYSA-N 444.453 5.281 30 10 IKEE CCCCCCCCn1cc(OCCCCC)c(=O)cc1CNc1ccc(OCC)cc1 1871130038 DVFNULFEVNIMDX-UHFFFAOYSA-N 442.644 6.789 30 10 IKEE CCCCC[C@H](CC)N1COc2ccc3c(c2C1)O/C(=C\c1ccc(Cl)cc1)C3=O 1871347539 GIVAYRVXQPGOFG-CSMVZQPBSA-N 425.956 6.467 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])cc(C)c3C2=O)cc1 1871369732 VSKWAYLUUXJLON-XKZIYDEJSA-N 429.428 5.301 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])cc(C)c3C2=O)cc1 1871369796 YWSJIMJDFODSNR-XKZIYDEJSA-N 445.427 5.137 30 10 IKEE Cc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2c(F)cccc2Cl)C3=O)cc1C 1871372350 MOSUXNYOAKCCNK-UUYOSTAYSA-N 436.866 6.240 30 10 IKEE Cc1cc(OC(=O)c2cccc(OCC(C)C)c2)cc2c1C(=O)/C(=C/c1cccnc1)O2 1871380801 CHRYNICQOVSJKA-KSEXSDGBSA-N 429.472 5.260 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(C)c(C)c2)[nH]c(N2CCCCC2)n1 1871528805 UWMIYRFMGHELOH-UHFFFAOYSA-N 438.664 6.197 30 10 IKEE CCCCCCCCN=c1nc(N(CC)CC)[nH]c(=Nc2cc(Cl)cc(Cl)c2)[nH]1 1871540645 ZLDLCQGVFPMDSF-UHFFFAOYSA-N 439.435 5.384 30 10 IKEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(Cc2ccccc2)cc1)S(=O)(=O)CCCC 1872284838 DTTVOGZGJFVFCX-DEOSSOPVSA-N 442.625 5.003 30 10 IKEE Cc1cccc(C)c1OCCCC(=O)[C@@H](C#N)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872760251 KTFCSFPWDQFZCK-HSZRJFAPSA-N 444.600 6.341 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)/C=C\c3ccc4c(c3)OCCO4)n2)cc1 1872770101 JWPMSWXCGAHYAG-KCGXFEIVSA-N 446.528 5.260 30 10 IKEE N#C[C@H](C(=O)/C=C/c1ccc(Cl)cc1Cl)c1nc(-c2cccc3ccccc23)cs1 1872775342 OFKWSDGMNBVLAM-WAEYIKQSSA-N 449.362 7.160 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(Cl)cc3)n2)c(C)c1C 1872778184 FYOKQXSGCLYTOH-SFHVURJKSA-N 426.925 5.344 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)N(CCCC)CCCC)n2CCCC 1873554158 JHJMCIZDMDUTRV-UHFFFAOYSA-N 425.621 5.452 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1cccc(Cl)c1C)n2CC 1873619763 MGRLUJVXQHSEEP-UHFFFAOYSA-N 442.007 6.438 30 10 IKEE C=C(C)CSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1ccncc1 1874206014 GBYBCYVBKSVHRS-AUEPDCJTSA-N 434.352 5.109 30 10 IKEE Cc1cccc(CSc2nnc([C@@H](C)c3ccccc3)n2/N=C/c2ccc(F)cc2)c1 1874394325 JSYLOWJBKIZLGY-FQNOVECQSA-N 430.552 6.052 30 10 IKEE Clc1ccc(CSc2nnc(Cc3cccs3)n2/N=C/c2ccccn2)cc1 1874413916 RVAOCOBLRJBCDH-YDZHTSKRSA-N 425.970 5.153 30 10 IKEE Fc1cccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2[C@@H]2CCCO2)c1 1874450110 UDHAGTHYLVJNAJ-WGLQLPMYSA-N 432.524 5.596 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCc3ccccc3)nnc2C(F)(F)F)cc1 1874460233 OGJQGRARRFBJGL-AFUMVMLFSA-N 433.503 5.318 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C(F)(F)F)cc1 1874461687 AQKWJMFMSRNGKE-LGJNPRDNSA-N 442.466 5.633 30 10 IKEE COCCc1nnc(SCc2ccccc2C)n1/N=C/c1ccc(Cl)c(Cl)c1 1874469920 DUFOKWWFGMHJIB-FSJBWODESA-N 435.380 5.257 30 10 IKEE CCCCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1/N=C/c1ccc(CC)cc1 1874480154 KOZHHJRAOMYSEQ-VKELSTCCSA-N 449.624 5.035 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(SCc2ccc(F)cc2)nnc1C(C)(C)C 1874483191 IWUMWQDLYAOLCB-AFUMVMLFSA-N 426.561 5.676 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(SCc2cccc(F)c2)nnc1C1CCC1 1874494539 RKYDDAIOOLVHJJ-JFLMPSFJSA-N 446.551 6.021 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/n2c(S)nnc2CC(C)(C)C)cc1OC 1874560289 PWDZOCMRQMNSCF-XIEYBQDHSA-N 446.661 6.176 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2cccc3ccccc23)cc1 1874575724 DFXQQRBBTNKZAM-RVDMUPIBSA-N 428.915 6.977 30 10 IKEE COc1cccc(/C=C/C(=O)c2cccc3ccccc23)c1OCC(=O)NC1CCCCC1 1874583306 HGSGCYHEAJSYCE-ISLYRVAYSA-N 443.543 5.572 30 10 IKEE C=C(C)COc1ccc(Br)cc1/C=C/C(=O)c1cc(OCC)ccc1OCC 1874585996 QMTVIUSHKXVSBZ-JXMROGBWSA-N 445.353 6.098 30 10 IKEE CCN(CC)C(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1cc(C)c(OC)cc1C 1874590468 CAWLXSPKJOKTKH-BUHFOSPRSA-N 445.559 5.609 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OCC(=O)Nc1cccc(C)c1 1874595747 BOGAODNOYLPESD-ZRDIBKRKSA-N 429.516 5.534 30 10 IKEE CCc1ccc(NC(=O)COc2cccc(/C=C/C(=O)c3cc(OC)ccc3OC)c2)cc1 1874596982 NYLNQJDITXKVCU-GXDHUFHOSA-N 445.515 5.180 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1 1874597897 JURIQFUEEZAUGS-NTUHNPAUSA-N 425.355 7.592 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1OC 1874603211 POPOCFRUEZTNQQ-RMKNXTFCSA-N 443.326 6.486 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)ccc1OCc1cccc(F)c1 1874604499 QFFPXRMMJLKVIB-DHZHZOJOSA-N 436.479 5.717 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3ccccc3Cl)c(OC)c2)cc1 1874608262 FIQPSKRFUQSNSQ-MDWZMJQESA-N 438.907 5.841 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OCCc1ccccc1 1874625980 GDEYRPVRVNNIKX-SDNWHVSQSA-N 444.571 6.519 30 10 IKEE C=CCOc1c(OCC)cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc1[N+](=O)[O-] 1874634689 OWVCQPWEVPVJQL-BQYQJAHWSA-N 431.872 5.425 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(-c4ccccc4)cc3)c2)c1 1874693163 QMJOOMAJUYTLGH-QGOAFFKASA-N 446.546 7.015 30 10 IKEE O=C(Oc1cccc(/C=C/C(=O)c2ccccc2Cl)c1)c1ccc(-c2ccccc2)cc1 1874697059 SGFLCVRVLKOZOP-QGOAFFKASA-N 438.910 7.122 30 10 IKEE CCOc1ccc(CC(=O)Oc2cc(/C=C/C(=O)c3cc(C)ccc3C)ccc2OC)cc1 1874703495 STWAQHWKSPASCK-GXDHUFHOSA-N 444.527 5.755 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2cccc(OC(=O)c3ccccc3F)c2)cc1Cl 1874716712 GBYJVDSLVDDCDO-MDZDMXLPSA-N 445.273 6.256 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1C 1875085119 QBVSGQWIWRXQDA-UKTHLTGXSA-N 431.444 5.092 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccncc1 1875105585 CGDGFTGHRVYZLD-QHHAFSJGSA-N 428.271 5.512 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)cc1)c1ccc(Cl)cc1 1875123236 YBQZOKMWUIIYSF-OTRDLXLWSA-N 437.322 6.599 30 10 IKEE Cc1ccsc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1[N+](=O)[O-] 1875125165 VAZJOOXAQBWQBC-QHHAFSJGSA-N 429.400 5.358 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1[N+](=O)[O-] 1875126868 FPPNJIOXBDBBJW-SDNWHVSQSA-N 431.444 5.038 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(Cl)c3)c([N+](=O)[O-])c2)c(C)c1 1875134872 OURBZNNGFDWBAX-JXMROGBWSA-N 435.863 5.980 30 10 IKEE O=C(Cc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1Cl 1875135621 ZMIRSBRSDBHCGV-UXBLZVDNSA-N 445.729 6.691 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)COc1ccccc1 1875171666 HUOAEKATYPGSFF-ZRDIBKRKSA-N 446.499 5.201 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)COCc3ccccc3)cc2)cc1C 1875186617 FCSWQOWPLQWHRT-SDNWHVSQSA-N 430.500 5.330 30 10 IKEE CCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc1Br 1875192805 CZYXPDDPQZYLOS-VMPITWQZSA-N 437.717 5.713 30 10 IKEE CC(C)(C)c1cc(C(=O)NCC#CCOc2cccc(C(F)(F)F)c2)cc(C(C)(C)C)c1 1891186538 WSTQHEPYRFJLAX-UHFFFAOYSA-N 445.525 6.113 30 10 IKEE N#CC1(c2ccccc2)CCN(C(=O)CCc2cccc(Oc3ccc(F)cc3)c2)CC1 1892380980 NTESEBDCSILMPB-UHFFFAOYSA-N 428.507 5.635 30 10 IKEE CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 1941060310 ADLIESGZHYRKQK-JPYJTQIMSA-N 435.540 5.399 30 10 IKEE C=CCC[C@H](C)[C@H](NCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997469555 PSOUGXYXUCHTHY-KJOQGJGQSA-N 430.633 5.411 30 10 IKEE CC1(C)CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)[C@H](OCc2ccccc2)C1 1998840030 NAIWTJDYSYOTMK-ATIYNZHBSA-N 426.601 6.224 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1C(C)(C)[C@@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 2007090647 NQEMQBXUSXVBPS-GGUMNFRJSA-N 433.593 5.094 30 10 IKEE CC[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2014648236 TXFPUIYZFNWSPN-FDDCHVKYSA-N 433.524 5.249 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]12CC[C@@](C)(CN1C(=O)OC(C)(C)C)C2 2022160336 RFYWTWMBMHSBHC-RCXJIHSJSA-N 428.617 5.307 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@]12CC[C@H]1CN(C(=O)OC(C)(C)C)C2)NCCC 2026367953 YLPYHOVAFCNZQN-FXSPECFOSA-N 428.617 5.165 30 10 IKEE CC[C@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2C)CN1C(=O)OC(C)(C)C 2040669134 XNXLQVGREVHCBJ-UQBPGWFLSA-N 443.588 5.808 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H]3C[C@H](OCc4ccccc4)C[C@H]32)cc1 2070328076 OTWOIRBNFVMCJV-NEGYVOTHSA-N 432.564 6.014 30 10 IKEE CC1([C@H](c2ccc(C3CC3)cc2)n2nc(C(F)(F)F)c(/C=N/O)c2Br)CC1 2079081380 SYLAYWPWGCHDME-CRUCUMJDSA-N 442.279 5.739 30 10 IKEE O=C(O)c1c(C(F)(F)F)nn([C@@H](c2ccc(C(F)(F)F)c(F)c2)C2CC2)c1Cl 2080034179 BKYSXQASMXWOBO-LLVKDONJSA-N 430.707 5.411 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCCCC(F)(F)C1 2112643543 MDIUASIIZWHVLH-SFHVURJKSA-N 429.305 6.052 30 10 IKEE N#C[C@H](C(=O)c1cscc1OCc1ccccc1)c1ccc(Br)cc1F 2141244969 BRPZUAPQLIHKMC-INIZCTEOSA-N 430.298 5.719 30 10 IKEE Cc1ccc(CN(C)[C@@H]2CC(C)(C)[C@@H]2OCc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2156384143 XBFCFDWFKPBXIP-JWQCQUIFSA-N 449.444 5.110 30 10 IKEE C=C1C[C@H]1C[C@H](NCCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2158690300 XAMHJFFNSAXSCM-YSIASYRMSA-N 437.422 5.219 30 10 IKEE COC[C@@]1([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)CC=CCC1 2166535762 YWLVJRSPWPXGOM-GHTZIAJQSA-N 435.362 5.456 30 10 IKEE C=CCN(C[C@@H](NCCC)c1sc(Br)c(C)c1C)C(=O)OC(C)(C)C 2254706540 ZBWYEHKEAXBMMQ-OAHLLOKOSA-N 431.440 5.591 30 10 IKEE C=CC[C@@]1(COc2ncc(Cl)cc2Br)CCN(C(=O)OC(C)(C)C)C1 2259525215 ALBCBZHQWKTSAC-GOSISDBHSA-N 431.758 5.080 30 10 IKEE C=CCCC1([C@@H](N)Cc2cc(Br)ccc2Cl)CN(C(=O)OC(C)(C)C)C1 2266319823 GYYRSJPPJKECQX-KRWDZBQOSA-N 443.813 5.176 30 10 IKEE N#Cc1cccc(Br)c1N1CCCCN(Cc2ccccc2)CC(F)(F)C1 2285190335 RVXUCNFVUJKHIG-UHFFFAOYSA-N 434.328 5.058 30 10 IKEE CCCCN1C(=O)C(=C2Sc3ccccc3N2CC)SC1=Nc1ccccc1Cl 2295178737 UFFOEMVHWHKKIE-UHFFFAOYSA-N 444.025 6.504 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@@](C)(CCC)NC(=O)OC(C)(C)C 2296281849 PAVQIDJUBGAVQH-SIKLNZKXSA-N 437.422 5.252 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)C(C)(C)N(CC)C(=O)OC(C)(C)C 2296310196 GIJMUDZPQDLGPF-IBGZPJMESA-N 437.422 5.204 30 10 IKEE COc1cc(OC)c(OC)cc1C=C1Oc2cc(OCc3cc(C)ccc3C)ccc2C1=O 2296844926 VTCLAYRVPPCBBN-UHFFFAOYSA-N 446.499 5.524 30 10 IKEE c1ccc(N=C2SC(=NC3CCCCC3)N(C3CCCCC3)C2=Nc2ccccc2)cc1 2297460584 TXPDBMSODBCQAQ-UHFFFAOYSA-N 444.648 7.517 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CC[C@H](C)CC1 2300363430 KSYORRLTKAYEPK-CHZKFRDHSA-N 430.633 5.601 30 10 IKEE CCOc1ccc2oc(C)c(C(=O)Oc3cccc(C=CC(=O)c4ccc(C)cc4)c3)c2c1 2314429547 JPBLHVPJDQPDPR-UHFFFAOYSA-N 440.495 6.564 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CC2)cc1 2320887023 NQLKDGABRUXYIT-UHFFFAOYSA-N 441.000 6.162 30 10 IKEE COc1cccc(C=C2Oc3c(ccc4c3CN(CCc3ccc(C)cc3)CO4)C2=O)c1 2322218207 OXRXNIKIBLFYLL-UHFFFAOYSA-N 427.500 5.014 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc3c2CN(C24CC5CC(CC(C5)C2)C4)CO3)C1=O 2322238601 ODXPUNIAPHYRGU-UHFFFAOYSA-N 427.544 5.732 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2ccc(C)c(C)c2)cc1 2322457336 BZPCMAHIBZOEJE-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccccc1OCc1cccc(Cl)c1 2322926735 UJZBIUUXPNTFHV-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OC(=O)C=Cc4cccs4)c3C)C2=O)cc1OC 2323519200 YQFJBOUPTWGRGU-UHFFFAOYSA-N 448.496 5.309 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(C)cc2)C3=O)cc1 2323628030 DLGBVTFOHUWTKX-UHFFFAOYSA-N 428.440 5.064 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OCc2cccc3ccccc23)c(Cl)c1 2323701348 FXFSUWIKAXKCIB-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE C=CCN1C(=O)C(=Cc2c(C(C)C)nc3c(Cl)cc(C(F)(F)F)cn23)SC1=S 2323720188 UHYCOWBAAZOXIM-UHFFFAOYSA-N 445.919 5.517 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)c(Cl)c2)c1 2323944080 NXXQQEIUSTULGJ-HXUWFJFHSA-N 447.962 6.109 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccccc2F)C3=O)cc1 2324451865 MAQHDZKUDWHDNU-MRXNPFEDSA-N 447.462 5.165 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)c(OC)c1 2324478053 MCWHSXWZVRIVRJ-UHFFFAOYSA-N 449.459 5.096 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cc(OC)c(OCc3ccc(C)cc3)c(OC)c2)cc1C 2324630940 WMCJIOZIZGGOGC-UHFFFAOYSA-N 446.543 6.113 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1ccc2c(c1C)OC(=Cc1ccccc1C)C2=O 2325093206 OUSDNRVBHKCDEW-JOCHJYFZSA-N 436.548 6.201 30 10 IKEE CCc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2cccc(C)c2)cc1 2325471556 XHXHCIHNCMHJEI-UHFFFAOYSA-N 426.589 5.914 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1sccc1C 2325535484 IIFHSEFGEXEBLP-UHFFFAOYSA-N 439.437 6.472 30 10 IKEE CCN(CC)CCOc1ccc2c(c1C)OC(=Cc1cccc(Br)c1)C2=O 2325703681 ZEYUGAQTUMSOGU-UHFFFAOYSA-N 430.342 5.094 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(F)c(F)c3F)c2)cc1 2325718419 WQMCVHBVUVQCOD-UHFFFAOYSA-N 442.389 5.236 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OC(=O)c1ccc(N(C)C)cc1 2325735471 RQIHDEFRQVWDAJ-UHFFFAOYSA-N 429.516 5.493 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2cccc(C=CC(=O)c3ccc(F)c(C)c3)c2)cc1 2325741954 LNDDEUFFHHKHRY-UHFFFAOYSA-N 446.518 6.357 30 10 IKEE CCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1ccc(OC)cc1OC 2326327791 GUGFAAUJDKFJHD-UHFFFAOYSA-N 438.597 5.330 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3Cl)n2N=Cc2cccnc2)cc1 2327919842 SKOBHCITTMPZGV-UHFFFAOYSA-N 447.995 5.595 30 10 IKEE CCSc1nnc(COc2ccc(OC)cc2)n1N=Cc1c(Cl)cccc1Cl 2328371986 KWRIFVDCDYBGMC-UHFFFAOYSA-N 437.352 5.167 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccccc2)cc1 2328563840 HFWOSXSMYFTGMR-UHFFFAOYSA-N 446.551 5.581 30 10 IKEE COc1ccc(C=NN=C2CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)cc1OC 2328654114 KJCBMTPITIADGL-LAWREARLSA-N 432.564 5.741 30 10 IKEE Clc1cccc(CSc2nnc(-c3ccccc3Cl)n2N=Cc2ccccn2)c1 2329610914 LDBDHUIRPIUJJP-UHFFFAOYSA-N 440.359 5.821 30 10 IKEE Fc1ccc(Cc2nnc(SCc3cccc(F)c3)n2N=Cc2ccccc2F)cc1 2329823408 FISNCBHRIKWUBY-UHFFFAOYSA-N 438.478 5.461 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2)n1N=Cc1cccc(OC)c1OCC 2330193583 FAYVFGLZGUPSDI-UHFFFAOYSA-N 436.581 5.021 30 10 IKEE C=C(C)CSc1nnc(CC2CCCCC2)n1N=Cc1ccc(OCC)c(OC)c1 2330269705 DFODGJOSVOCYLP-UHFFFAOYSA-N 428.602 5.359 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)CCOC 2330609126 CJNLRJLYAFKLIR-UHFFFAOYSA-N 430.500 5.590 30 10 IKEE CCN(CC)C(=O)CSc1nnc(CC(C)(C)C)n1N=Cc1ccc(C(C)(C)C)cc1 2330800318 VBWKAADYGDUAOJ-UHFFFAOYSA-N 443.661 5.007 30 10 IKEE CCCC(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1Br 2330808729 ANPWVTACZQZOPR-UHFFFAOYSA-N 442.136 6.358 30 10 IKEE CCCCOc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCCC)cc1OCC 2330862862 ZHUFLJSATNZATI-UHFFFAOYSA-N 432.634 5.829 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(Br)cc3)cc2)cc1C 2330881192 PIQBISWXOABQGL-UHFFFAOYSA-N 449.344 6.110 30 10 IKEE Cc1cccc(CSc2nnc(C(F)(F)F)n2N=Cc2cn(C)c3ccccc23)c1 2331122638 NPSZWDJKUDHNOQ-UHFFFAOYSA-N 429.471 5.272 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccccc1OC 2331131617 YSRFILWSYMJSDE-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1ccc(C=CC(=O)c2ccccc2)cc1Cl 2331165928 SHEPIAXVXZLQAE-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H]3CCCO3)c(Br)c2)c(C)c1 2331224848 TWOIZBOCEGXQMP-OAQYLSRUSA-N 429.310 5.046 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)Cc1ccc(C)cc1 2331286775 JJPIJHXNTWLLHX-UHFFFAOYSA-N 440.539 6.085 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)c1cccc(F)c1 2331318726 VKPHTZZLCOZTKL-UHFFFAOYSA-N 434.463 5.575 30 10 IKEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1cc(Cl)ccc1O 2331329102 ZENGUPITDVWTKW-UHFFFAOYSA-N 445.932 5.062 30 10 IKEE C=C(C)CSc1nnc(CCCC)n1N=Cc1ccc(OCCCCC)c(OCC)c1 2331336910 IVSINYZLEJIYRL-UHFFFAOYSA-N 444.645 6.139 30 10 IKEE CCCCc1nnc(SCCC)n1N=Cc1ccc(OCc2ccccc2)c(OC)c1 2331343939 FJHFXQYRZVPSIZ-UHFFFAOYSA-N 438.597 5.593 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(F)c3)cc2Cl)c1 2331453794 LDWWVDIDXHAJMK-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE C=CCc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OC(=O)CC(C)(C)C 2331656553 RHHVMCFYTQUCAC-UHFFFAOYSA-N 448.603 6.895 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)[C@@H](C)c2ccccc2)c(Cl)c1 2331664033 RMLVQLACNNLXJR-IBGZPJMESA-N 448.946 6.571 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)cc2OC)cc(OC)c1OC(=O)CCCC 2331729281 YXDLEQLAMIUBMX-UHFFFAOYSA-N 438.520 5.433 30 10 IKEE CC[C@H](NCc1cscc1Br)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363841666 QEULLCYTECOIKW-SFHVURJKSA-N 436.224 5.051 30 10 IKEE C=CCC(CC=C)[C@@H](NCCC)c1cc(I)ccc1Br 2364095806 PWKFHGXRXVFZTL-QGZVFWFLSA-N 448.186 5.863 30 10 IKEE COc1ccc2c(c1)/C(=C1\SC(C(C)=O)=C(c3ccccc3)S1)C(=S)C(C)(C)N2 2270494 CEGRGVVMJBBEEU-PYCFMQQDSA-N 439.627 6.376 30 10 IKEE C=C(C)COc1ccccc1NC(=S)NC(=O)c1ccc(OCCc2ccccc2)cc1 9697392 RZEWUCFJOAWHDG-UHFFFAOYSA-N 446.572 5.390 30 10 IKEE O=C(COc1ccc2ccccc2c1)/N=C1\N=C2C=CC(Cl)=CN2Cc2ccccc21 15906705 WQMFEVZEJFTCCU-FVDSYPCUSA-N 427.891 5.056 30 10 IKEE Brc1cccc(CSc2n[nH]c(N/N=C/c3cccc4ccccc34)n2)c1 20905262 AKHHFICXLZOLLL-WSDLNYQXSA-N 438.354 5.459 30 10 IKEE CN(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(O)c2)cc1 21252201 DRHOVXVFKRINFN-WINIVTDRSA-N 425.532 5.438 30 10 IKEE CCCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)cc1 21252778 YJKJEEQZRXPUQH-NGOKVRLYSA-N 442.534 6.594 30 10 IKEE CCc1n[nH]c(=S)n1/N=C\c1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 33346085 QIFAYUWFFXCKEL-YVNNLAQVSA-N 437.352 5.280 30 10 IKEE O=C(/C=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(NC(=O)c2ccco2)cc1 34807164 BNBFJTGHJVKGIV-QBFSEMIESA-N 428.400 5.596 30 10 IKEE C=CCn1c(SCc2ccc(C(=O)NCc3ccc(F)cc3)cc2)nnc1-c1ccco1 37397726 XSUJBKUSYXXFSN-UHFFFAOYSA-N 448.523 5.086 30 10 IKEE C=CCc1ccccc1OCCCCn1c([C@H](C)N2CCCCCC2)nc2ccccc21 39917263 QUTHVFFGDZWNBI-QHCPKHFHSA-N 431.624 6.561 30 10 IKEE C=CCc1ccccc1OCCn1c([C@H](C)NC(=O)c2cccc(C)c2)nc2ccccc21 40185542 AZWNUCHGFWMAAK-NRFANRHFSA-N 439.559 5.643 30 10 IKEE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/Nc2ccc([N+](=O)[O-])cc2)CCC3)cc1C 40814713 SZATZLMWZZMIHZ-NHFJDJAPSA-N 432.480 5.518 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OC(=O)c4cc5ccccc5o4)cc(C)c3C2=O)c1 41352573 HEOJGYPHVILVMU-UUYOSTAYSA-N 426.424 5.585 30 10 IKEE CCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1OCC 59676377 UYFUZLDJVAUPOA-WPWMEQJKSA-N 448.588 6.427 30 10 IKEE CC/C(C)=N/Nc1nc2cc(C)c(NC(=O)c3cc4ccccc4cc3OC)c(C)c2s1 78400540 FJFPQBXTNBLYIN-RWPZCVJISA-N 446.576 6.525 30 10 IKEE CCCCCCCCCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccccc2F)c1 98021294 BLVPXYUPLGJUBI-VWLOTQADSA-N 442.600 6.684 30 10 IKEE O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1ccc(-c3ccccc3)cc1)c1c(O)n[nH]c1N2 98036775 SLQSBFMATHCORO-PGRDOPGGSA-N 439.540 5.802 30 10 IKEE CCCCCCCOc1ccc(NCC(=O)Nc2ccccc2OCCOCC)cc1 100077548 QYFZDPAEQAQJOV-UHFFFAOYSA-N 428.573 5.502 30 10 IKEE CCCCCCCOc1cccc(NC(=O)c2cccc(OCCc3ccccc3)c2)c1 100246517 CJAPLZIHZQOXNK-UHFFFAOYSA-N 431.576 6.910 30 10 IKEE CCCCCCCCCCCCCC(=O)N1CCS[C@@H]1c1cc(OC)ccc1OC 103000776 BLPSQMIHQCCWPL-RUZDIDTESA-N 435.674 6.979 30 10 IKEE CCCCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCCCCC 111881256 IFHCVUJSBCYBGF-UHFFFAOYSA-N 444.653 5.325 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/Nc2nnc(C(C)(C)C)c(=O)[nH]2)cc1OC 169898095 PAZKMODCGRYXQK-KOEQRZSOSA-N 443.592 5.046 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2cc(C)ccc2C)cc1 169924625 ICJMMMUFXSQUAF-VWLOTQADSA-N 441.527 5.712 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccc(O)cc1)c1cccc(Cl)c1 169961701 DRAZVWMKTDMICV-FQEVSTJZSA-N 440.282 5.482 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@@H]2c2cccc(C)c2)cc1 169973129 YNBASXPVYDSPQM-HSZRJFAPSA-N 437.499 5.217 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccncc2)cc1Cl 170021631 ZRCGJWUQPDVSES-JOCHJYFZSA-N 444.874 5.573 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2ccccc2)c1 170036498 OGLWZKGCXSNKTF-AREMUKBSSA-N 449.506 6.021 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 170066329 LFTVRFFIPZEPMW-NTKDMRAZSA-N 444.531 5.049 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2c[nH]c3ccccc23)cc1 170075162 FJJFWNFHHLMDBE-VWLOTQADSA-N 448.478 6.005 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2ccco2)ccc1F 170093940 SJPHWUOVKFLIJI-IBGZPJMESA-N 445.368 5.529 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(O)cc2)cc1 170131720 STZBNANTTWSPDK-QHCPKHFHSA-N 447.462 5.101 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2c2ccc(F)cc2)c1 170140723 JCDQJMVXZRLYFA-DEOSSOPVSA-N 443.474 5.242 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2cccc(C)c2)c1 170140986 UOFXKXIPWKUXNP-VWLOTQADSA-N 441.527 5.874 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@@H]1c1cccc(C)c1 170147658 JJEAZIATGJYFSR-NRFANRHFSA-N 441.955 5.734 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@H]1c1ccc(C(C)(C)C)cc1 170150316 LSDKQHBQRLSJQD-HSZRJFAPSA-N 435.564 5.598 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccs2)ccc1OCC(C)C 170159337 GOYAJIXAQRNCGT-HSZRJFAPSA-N 447.556 5.874 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@H]1c1cccs1 170165548 LXJYOQHYGSSZFX-LJQANCHMSA-N 433.957 5.569 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccccc2)cc1 170223119 GTQLQNFJKJYIBV-JOCHJYFZSA-N 435.426 5.146 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccc2)cc1C 170224137 IJTRQOLBWAAVRW-VWLOTQADSA-N 441.527 5.875 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2OCC)[C@@H]1c1ccccc1 170232960 YMIOZADQQDBXAT-QHCPKHFHSA-N 437.536 5.253 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(F)cc1)c1ccc2c(c1)CCCC2 170241108 ZOWOLZDAQRVJEE-QHCPKHFHSA-N 431.463 5.076 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(F)cc2)cc1C 170242396 IBJABVAXDKGQRC-HSZRJFAPSA-N 437.511 5.444 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2F)cc1 170249418 OTOITDPTKUVHOX-HSZRJFAPSA-N 431.463 5.316 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(CC)cc2)cc1C 170266394 XXHGARMGXCARBS-DEOSSOPVSA-N 445.515 5.328 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C(C)C)c3)=C(O)C(=O)N2C2CCCC2)cc1 170268574 YXQLZEYWPBGYDK-RUZDIDTESA-N 447.575 5.902 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(CC)cc2)cc1C 170268704 CNSCMANWAUVIAE-RUZDIDTESA-N 447.575 5.867 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccco2)c1 170280923 XXJPPIOFQBRDCX-HSZRJFAPSA-N 447.487 5.203 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccco2)cc1C(C)C 170282188 LOXXCJJOCPHDLG-HSZRJFAPSA-N 449.478 5.724 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccco2)c1 170285686 VBQVPOWBHWUTRO-NRFANRHFSA-N 437.879 5.341 30 10 IKEE COc1c(Cl)cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccco2)cc1Cl 170286254 FFOVYGGKKUDYTK-GOSISDBHSA-N 444.270 5.378 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@H]1c1ccco1)c1ccc([N+](=O)[O-])cc1 170287266 LNFGGCTVFRDXDX-QFIPXVFZSA-N 440.411 5.124 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2c2ccccc2)o1 170302892 KWOIMSJUBNVTSK-HSZRJFAPSA-N 429.516 5.977 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 170468956 GNOFSVJLCDUIJI-DEOSSOPVSA-N 435.564 5.898 30 10 IKEE COc1ccc(-c2cc(C(=O)NCc3ccc(Cl)c(Cl)c3)nc(C)c2C#N)cc1 198863614 WYCMUHZDVMLNLQ-UHFFFAOYSA-N 426.303 5.174 30 10 IKEE N#Cc1cc(Br)ccc1Nc1c(Br)cccc1Br 232130082 SAOUWGJOXSFJLL-UHFFFAOYSA-N 430.925 5.589 30 10 IKEE Oc1c(Br)cc(Br)cc1C=Nc1ccc2c3c(cccc13)CC2 252463038 YIEPMKFHDLEAOB-UHFFFAOYSA-N 431.127 5.920 30 10 IKEE O=[N+]([O-])c1cccc(/C=C\C=Nc2ccc3oc(-c4cccc(Br)c4)nc3c2)c1 252628698 SVVNCOSUAMKAGP-NDHAVUBYSA-N 448.276 6.581 30 10 IKEE C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C/c1ccc(OC(F)F)cc1)C2=O 253572194 PXDOMWMSMCFAEF-PVWCXCGBSA-N 444.562 6.254 30 10 IKEE CCc1nnc(S)n1N=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 254765918 NJQGLEMIZLJEQA-UHFFFAOYSA-N 444.560 5.169 30 10 IKEE Cc1ccc(/C=C2/SC(=Nc3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)s1 254849137 PGYRRRXXHPHWPZ-ZRAGWZJNSA-N 443.597 6.385 30 10 IKEE CCCCOc1ccc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526488730 MMENKIJRVNYONQ-QHCPKHFHSA-N 430.529 5.856 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(Cl)ccc2C)cc1O 526743890 GMEYFJZKBDGPOB-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE Cc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1c(C)n(C)c2ccccc12 526817596 PPWUVSGTFFBTGU-MYKKPKGFSA-N 427.936 5.354 30 10 IKEE CC(C)(C)c1ccc(S(=O)(=O)N(CCC2=CCCCC2)Cc2ccc(C#N)cc2)cc1 586144483 OBMYNYAEWVBDAF-UHFFFAOYSA-N 436.621 5.937 30 10 IKEE COc1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 586250167 ZRPMHANUUWCSRQ-UHFFFAOYSA-N 434.561 5.260 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@](C)(C#N)CCCC(F)(F)F 698460425 ZDPCWERNCTYYGL-KRWDZBQOSA-N 435.284 6.205 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@H](C#N)c1cccc(F)c1Br 698853587 BLTKZSJNESDRLF-MRXNPFEDSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 698869709 MWPMLXDPPNFTEM-JPYJTQIMSA-N 433.524 5.249 30 10 IKEE N#C[C@@H](C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)C1CCCCC1 700310196 GOJCBHLIRYJADW-KOSHJBKYSA-N 432.520 5.088 30 10 IKEE CCCCCCCCCCCNC(=O)[C@H]1C[C@H]1C(=O)NCCCCCCCCCCC 725238173 LRVUMAAYXSBIAQ-PLQXJYEYSA-N 436.725 6.917 30 10 IKEE Oc1c(Cl)cc(Cl)cc1C=Nc1ccc(N2CCOCC2)c(Br)c1 1081111563 VVQVMASNFFURGK-UHFFFAOYSA-N 430.129 5.049 30 10 IKEE Cc1csc(N=C2S/C(=C\c3cccc4ccccc34)C(=O)N2C2CCCCC2)n1 1772736276 IUFAFPPWGBBSJE-UDYULTBOSA-N 433.602 6.541 30 10 IKEE N#Cc1cccc(C(=O)Oc2cccc3c(NC(=O)c4ccc([N+](=O)[O-])cc4)cccc23)c1 1858924670 ROBTWEALNWUONZ-UHFFFAOYSA-N 437.411 5.091 30 10 IKEE CC(C)c1c(Cl)c(C(=O)Nc2ccccc2C#N)nn1Cc1c(F)cccc1Cl 1859380818 ZVNGEAMDTYKZQL-UHFFFAOYSA-N 431.298 5.625 30 10 IKEE N#Cc1ccc(COc2cccc(NC(=O)CC(c3ccccc3)c3ccccc3)c2)cc1 1860098749 AWFLQUGTNLTDBX-UHFFFAOYSA-N 432.523 6.298 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1Br 1861024718 BNMSWQLCSSFSAP-FQEVSTJZSA-N 437.422 5.311 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)c1cc(OC)cc(OC)c1 1861486290 BAJPKBIKLHFEMG-HSZRJFAPSA-N 434.621 5.249 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(F)cc2)cc1 1862391401 ZKWMGNAUYMCCBL-XMMPIXPASA-N 444.506 5.342 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1F 1862417317 QMYDYFOPVKEPLJ-NRFANRHFSA-N 439.845 5.397 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccccc2)cc1 1862441429 IBXKKKOBWVLJNX-XDHUDOTRSA-N 445.946 6.242 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(F)cc1)c1c(F)cc(F)cc1F 1862457450 PJXCDJUFQBRADM-FQEVSTJZSA-N 433.401 5.154 30 10 IKEE COc1cc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C(C)C)ccc1OC(C)C 1862497681 QEMLSFRHCACUMJ-QHCPKHFHSA-N 437.536 5.086 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2cccc(C)c2)cc1 1862507474 LZMGJLZACILYDL-DEOSSOPVSA-N 429.491 5.529 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1c(Cl)cccc1Cl 1862509170 ZOTONKVIUUFSIF-BLVKFPJESA-N 436.310 5.818 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C2CCCCC2)cc1 1862543560 JXHPPBVNOZQULC-RUZDIDTESA-N 429.560 5.785 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1ccccc1C 1862576673 ZGHBNJTVEZEIJQ-QHCPKHFHSA-N 437.536 5.171 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cccc(F)c1)c1ccc(Cl)c(Cl)c1 1862581948 SIAXRIMCGPOJID-IBGZPJMESA-N 434.294 5.653 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(Cl)c1 1862583619 GGOAJHOLPPETHK-BBATYDOGSA-N 438.738 6.024 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCc2ccccc2)cc1 1862594590 GQWWZXYDUYIRMH-RUZDIDTESA-N 441.527 5.337 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2Cc2ccccc2)c1 1862612723 ABVZQENSWDTPEX-RUZDIDTESA-N 439.555 6.071 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(OC)cc1 1862616778 FCABMKRMRLGDGI-HSZRJFAPSA-N 435.564 5.761 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1ccc(C(C)C)cc1 1862641355 ZKEUJBRKXAHXSB-QFIPXVFZSA-N 425.500 5.336 30 10 IKEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccccc1 1862660348 KZWSTDRPMNZKAH-DEOSSOPVSA-N 434.580 5.120 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(OCCC)cc1 1862681511 BMNMWHMGFZXECJ-QHCPKHFHSA-N 439.527 5.773 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCc2cccs2)cc1 1862687198 IAZMTXQJFHUEQC-HSZRJFAPSA-N 447.556 5.140 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1F)c1ccc2ccccc2c1 1862715802 RVUKUNFQYQVMGC-RUZDIDTESA-N 437.470 5.757 30 10 IKEE CCOc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 1862830163 ZRFAQPNDPKWDKH-UHFFFAOYSA-N 443.890 5.007 30 10 IKEE CCCOc1ccccc1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(C)cc2)C1=O 1862892528 TXJAHOHCSRRHLI-UHFFFAOYSA-N 437.499 5.052 30 10 IKEE Cc1cc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(F)c(Cl)c3)C2=O)ccc1F 1863085688 ARQAZNMMPZPELF-UHFFFAOYSA-N 449.844 5.195 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2F)C(=O)N(Cc2cccc(Cl)c2)C1=O 1863646765 IMVHTVJHTYEDKJ-UHFFFAOYSA-N 442.962 5.709 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(OC(C)C)cc2)C(=O)N(CC(C)C)C1=O 1863694062 YRFKNDBAHCCZRF-UHFFFAOYSA-N 442.644 5.940 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N1CCNC(=O)[C@@H]1c1ccccc1 1866342683 UUXRVJWNNDTQGI-MHZLTWQESA-N 442.688 6.948 30 10 IKEE C[C@H]1CN(c2cc(Nc3cccc(C#N)c3)nc(C(C)(C)C)n2)C[C@@H](C)N1c1ccccc1 1868333705 RKOWLAUHJUFLKZ-BGYRXZFFSA-N 440.595 5.493 30 10 IKEE CCCCCCCOc1cn(CCCCCC)c(CNc2ccc(C)c(F)c2)cc1=O 1870839509 NEMAXVKBNMNNHC-UHFFFAOYSA-N 430.608 6.837 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OC(C)C)c(=O)cc1CNc1cccc(C)c1 1870907173 HHVPHDASYFEAMY-UHFFFAOYSA-N 442.600 5.460 30 10 IKEE CCCCCCCCCCn1cc(OC)c(=O)cc1CNc1ccc(OC)c(OC)c1 1870998180 LUOMEESCHOEZTJ-UHFFFAOYSA-N 430.589 5.627 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)cc2Cl)c(=O)cc1CNc1ccc(C)c(C)c1 1871248898 HEUJUSQFJUBZKI-UHFFFAOYSA-N 443.374 6.149 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc(F)cc4)cc(C)c3C2=O)c1 1871366239 ZSDIOZPVAZNWDB-LABNAMAPSA-N 430.431 5.378 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc(C)c2C1=O 1871382005 JORVDWCUMCXYBA-FDTILGBMSA-N 441.439 5.447 30 10 IKEE Cc1c(OC(=O)c2ccc(OC(=O)C(C)C)cc2)ccc2c1O/C(=C\c1cccs1)C2=O 1871390642 GWFVHNGHVLSCJS-BKUYFWCQSA-N 448.496 5.453 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCCOc4cccc(C)c4)cc(C)c3C2=O)cc1 1871407527 PBHUHMYBWXBGBM-XYGWBWBKSA-N 430.500 5.776 30 10 IKEE COc1ccccc1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccccc1F)C2=O 1871412606 WQKADIVPODNZOU-YOBACFSGSA-N 447.462 5.165 30 10 IKEE CCOc1ccccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccccc1)C2=O 1871417540 CYMZROGOIGJDOJ-UCQKPKSFSA-N 429.472 5.027 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1cccs1)C2=O)Nc1ccc2ccccc2c1 1871419455 HKQFBSDVXJUKLY-UCQKPKSFSA-N 427.481 5.535 30 10 IKEE CCCCCCOC(=O)COc1ccc2c(c1C)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 1871422372 XYJBNRTYRQHQOV-STZFKDTASA-N 439.464 5.022 30 10 IKEE CC(C)CCOC(=O)CCOc1ccc2c(c1)O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 1871429032 FVSJDZXYDAAXMH-JLPGSUDCSA-N 436.548 5.959 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)cc2c1C(=O)/C(=C/c1ccco1)O2 1871443161 RZTDDTUTILTXPZ-GRSHGNNSSA-N 443.377 5.241 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2cccs2)C3=O)cc1 1871450145 CXLVDRVRTCBADW-GMPVXANTSA-N 433.529 5.895 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3cc(Cl)ccc3C)ccc2C1=O 1871457357 BJHBCZFEPZSBGM-KSEXSDGBSA-N 433.891 5.591 30 10 IKEE CCc1ccccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 1871458420 IWMJLGCWGISOET-QRVIBDJDSA-N 431.463 5.330 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872244742 JEVWGSYMPMCPQA-DEOSSOPVSA-N 442.625 5.232 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cc(C)ccc1C)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872549540 GDLXVUUCGLUJGI-DEOSSOPVSA-N 442.625 5.150 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)n2)cc1 1872765939 ZWNLSVCDWNYJQZ-ZGQNHIEXSA-N 431.517 5.951 30 10 IKEE N#C[C@H](C(=O)c1cc(Cl)ccc1Cl)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872768848 DGNAXZLBOPVSRQ-GFCCVEGCSA-N 442.154 6.914 30 10 IKEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)c(C)c1 1872769254 NKQFFPHAUPDMPT-INIZCTEOSA-N 436.449 5.042 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2Cl)C(=O)N([C@@H]2CCCC[C@H]2C)C1=O 1873032393 QTYKKGXGLLOLJN-WIYYLYMNSA-N 431.020 5.949 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/Nc2cnn(C)c(=O)c2Cl)c(Cl)c1 1873526073 LMXBDOVOCPXXIC-ZVHZXABRSA-N 439.387 5.663 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(-c3ccccc3C)cc1)n2CC(C)C 1873613030 UEIUNKMMHRURNB-UHFFFAOYSA-N 439.563 5.913 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)cc2C)cc2c(NCc3ccc(Cl)cc3)ncnc21 1873637683 LFEYERKBIBKUNZ-UHFFFAOYSA-N 445.954 5.752 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(N(CC)CC)cc2)cc2c(NCCCCCC)ncnc21 1873639200 WKCWHDOEKQGOFW-UHFFFAOYSA-N 448.615 5.708 30 10 IKEE CSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1ccccc1Cl 1874201842 WVBGUYIISWDZFV-ZMOGYAJESA-N 428.989 5.721 30 10 IKEE CCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccccc1OC(C)C 1874263017 CONQHBORMGHUEU-YDZHTSKRSA-N 430.961 5.292 30 10 IKEE Cc1cccc(CSc2nnc(CCOc3ccccc3)n2/N=C/c2ccccc2F)c1 1874344621 WYNKACMGDSTOKG-WPWMEQJKSA-N 446.551 5.522 30 10 IKEE COc1ccc(Cc2nnc(SCc3cccc(C)c3)n2/N=C/c2cccc(O)c2)cc1 1874350265 CRBTYDQVMAKPQR-WGOQTCKBSA-N 444.560 5.066 30 10 IKEE Cc1ccccc1/C=N/n1c(COCc2ccccc2)nnc1SCc1ccccc1F 1874355085 BDIHMMCQCJULOS-JFLMPSFJSA-N 446.551 5.617 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccccc3Cl)n2/N=C/c2ccccc2C)c1 1874366132 MICPSMAHDQKKCN-CVKSISIWSA-N 432.980 6.390 30 10 IKEE Cc1ccc(C)c(CSc2nnc(COc3ccccc3)n2/N=C/c2cccs2)c1 1874384224 FOTDVUNCHHCUBQ-ZVHZXABRSA-N 434.590 5.710 30 10 IKEE COc1cccc(/C=N/n2c(SCc3cccc(C)c3)nnc2[C@H](C)c2ccccc2)c1 1874394856 XQFFWLIFGWCVDS-AYQSFACRSA-N 442.588 5.921 30 10 IKEE COc1cccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccccc2)c1 1874402879 NMDZYMIJQRXKJV-NLRVBDNBSA-N 428.561 5.246 30 10 IKEE Cc1cccc(CSc2nnc(CC(C)(C)C)n2/N=C/c2ccc(Cl)cc2Cl)c1 1874437884 YJQYFHDZXJPSAB-DHRITJCHSA-N 447.435 6.656 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2ccccc2)c1C 1874452370 RNYUBJNGVVWKFH-MFKUBSTISA-N 433.581 5.166 30 10 IKEE Fc1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2c(Cl)cccc2Cl)cc1 1874452570 BQRIABGHVWJDOL-BRJLIKDPSA-N 449.382 6.556 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1cccc(Br)c1 1874476879 XICOJXICTUXNNA-YDZHTSKRSA-N 447.377 5.697 30 10 IKEE COc1cc(/C=N/n2c(SCc3ccc(C)cc3)nnc2C(C)C)cc(Cl)c1O 1874509241 RXUIKKZKOZAWFL-FOKLQQMPSA-N 430.961 5.252 30 10 IKEE CCCCCCOc1ccc(/C=N/n2cnnc2SCc2cccc(F)c2)cc1OC 1874537852 AKQIRLPEDCJTQS-CVKSISIWSA-N 442.560 5.559 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2c(C)cc(C)cc2C)c1OCc1ccccc1C 1874589794 CYWYOFDSRWSEOP-ZHACJKMWSA-N 434.963 7.057 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(C)cc3)c(Br)c2)cc1 1874605421 ZAWMOUPTUQOEGO-GXDHUFHOSA-N 435.361 6.795 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccc(Cl)cc1Cl 1874605924 MPHSPFJWOMQVHT-XNTDXEJSSA-N 433.334 7.622 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OCc3cccc(C)c3)c(OC)c2)c1 1874630033 GZHQWCNNUDCPEO-JLHYYAGUSA-N 446.543 6.276 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)NC3CCCCC3)c(Cl)c2)cc1C 1874631595 KRRKGKKUFHRPQH-FMIVXFBMSA-N 425.956 5.681 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OCCCO)c(Br)c1 1874635877 XUQLHFWJXNUXKP-JXMROGBWSA-N 431.370 5.712 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc(Cl)c(Cl)c3)c2)c1 1874703150 BDHXOGAWOMARCI-DHZHZOJOSA-N 425.311 6.726 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OC(=O)c1ccc2c(c1)OCO2 1874703444 QDXQKCDANBFNLO-RMKNXTFCSA-N 430.456 5.156 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)c2)cc1 1874705840 CHGZSZZVDQIZMM-NTUHNPAUSA-N 442.511 5.871 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccs2)c(Cl)c1)c1ccc(-c2ccccc2)cc1 1875078306 JOSJVSFSXUEEFM-RIYZIHGNSA-N 444.939 7.184 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccncc1 1875105246 KVLUUQZNLBTTDJ-XVNBXDOJSA-N 442.298 5.902 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(-n3cccc3)cc2)c([N+](=O)[O-])c1)c1ccccc1 1875127309 YGHSWEQUEDRYBN-RIYZIHGNSA-N 438.439 5.501 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Br)c1OC(=O)c1ccccc1 1875128242 AGCUTXOCEJSMIH-OUKQBFOZSA-N 437.289 5.573 30 10 IKEE CCCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccc(C)cc2C)cc1OC 1875133710 IHRHMGGSBOEWCJ-CSKARUKUSA-N 431.326 5.676 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OC(=O)c1ccccc1 1875148740 MCPVGZFCGULLAQ-XNTDXEJSSA-N 448.946 6.761 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C(C)(C)C)ccc3OC)cc2)cc1 1875161439 PTKKDIDAZDEWOA-LZYBPNLTSA-N 444.527 6.117 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)CCc1ccccc1C 1875178897 IFYMHDGKEJNQCB-GXDHUFHOSA-N 428.528 6.055 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)c(C)c1 1875182751 SUAFPHHKWVZVGX-CXUHLZMHSA-N 426.556 7.025 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)c1ccncc1 1875190045 AJBODHJCOOJUBY-QHHAFSJGSA-N 428.271 5.512 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3F)c(OC)c2)cc1C 1875191585 UUCJEBVMSMZTDG-PKNBQFBNSA-N 434.463 5.575 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1[C@H](C)C[C@@H](C)CN1C(=O)OC(C)(C)C 1922080603 PMRFBXXAQADEEN-CHOVIJNXSA-N 430.633 5.409 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C1(C)C 1938774211 AJJBOSCGPHRSQU-QFIPXVFZSA-N 435.590 5.167 30 10 IKEE CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 1941060309 ADLIESGZHYRKQK-FDDCHVKYSA-N 435.540 5.399 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 1943911159 JYGTVUBYNHCKJJ-YADARESESA-N 435.609 5.676 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1c(F)cccc1Cl)c1cccs1 2033813033 FAAXOABFNLAJJQ-KRWDZBQOSA-N 433.913 5.381 30 10 IKEE C=CCn1c2ccccc2n2nc(C)c(C(=O)C=Cc3cc(C)n(-c4cc(C)on4)c3C)c12 2040488498 SGRBVKQBDGAQEO-UHFFFAOYSA-N 439.519 5.383 30 10 IKEE CC[C@@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(C)cc2)CN1C(=O)OC(C)(C)C 2040670588 JSUUVENMPKMIFH-KBMIEXCESA-N 443.588 5.808 30 10 IKEE N#C[C@]1([C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCCSC1 2073862647 HSFJWVZLPLRIOR-KAYWLYCHSA-N 445.584 5.915 30 10 IKEE Cc1ccc([C@H](C2CCC2)n2nc(C(C)(C)C)c(C#N)c2I)c(C)c1 2079070630 BGQDCIBMJCFXGA-SFHVURJKSA-N 447.364 5.663 30 10 IKEE C[C@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)(F)F)c(C(=O)O)c1Br 2080053172 RTZAYRFTSXJJRC-RXMQYKEDSA-N 449.120 5.130 30 10 IKEE Cc1ccc(F)c(-c2c(C3CCCCC3)nn3c(N)c(C#N)cnc23)c1Br 2081234963 ZNWZYHBSTHZLBG-UHFFFAOYSA-N 428.309 5.108 30 10 IKEE C=C1CC(C[C@H](NCCC)c2cc(I)ccc2Br)C1 2125736126 RJOHGNZUPUIPFN-INIZCTEOSA-N 434.159 5.451 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)C1CC2(C1)CC(F)(F)C2 2158848737 ZMADUCGRFQHCQQ-MRXNPFEDSA-N 441.316 5.908 30 10 IKEE CC(C)(C)OC(=O)N1CCc2cc(Nc3ccc(C#N)c(Br)c3F)ccc21 2162348441 KPZVRKPUSWTLKQ-UHFFFAOYSA-N 432.293 5.501 30 10 IKEE C[C@@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)Oc1cc(Br)cnc1C#N 2198815913 RDVNNVJHTVIYPE-HOCLYGCPSA-N 438.366 5.053 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)[C@H](CC(C)C)NC(=O)OC(C)(C)C 2235728422 LNWGXJCQFANCCP-UXHICEINSA-N 437.422 5.108 30 10 IKEE CCCC#C[C@@H](NCCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237418912 VFKBXTPGUFJWJQ-UXHICEINSA-N 437.422 5.057 30 10 IKEE CC[C@H](C)N(Cc1ccccc1)C(=O)c1cccc(Cl)c1B1OC(C)(C)C(C)(C)O1 2248079208 RNEAXQHQKDQFHL-KRWDZBQOSA-N 427.781 5.080 30 10 IKEE C=CCN(CC[C@H](NCC)c1cccc(Cl)c1Br)C(=O)OC(C)(C)C 2259401849 VCUPLJFIMYDWPD-INIZCTEOSA-N 431.802 5.566 30 10 IKEE O[C@H](C#CC1CCCCC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2261069331 LBWVNMBDGFXWQI-HHHXNRCGSA-N 426.556 6.462 30 10 IKEE CN[C@H](CC#CC1CCCC1)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2261106898 KYXKSGQUVIWZDG-SQHAQQRYSA-N 440.628 5.002 30 10 IKEE C=CCC1(COc2ccc(Br)cc2N)CCN(C(=O)OC(C)(C)C)CC1 2272230504 VICJVIHTLOFBIW-UHFFFAOYSA-N 425.367 5.004 30 10 IKEE C=C(C)CCCC[C@@H](NC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2287381651 ZGCVRFIECFQYJX-WOJBJXKFSA-N 439.438 5.609 30 10 IKEE COc1cc(C=C2SC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccccc1C#N 2294746206 AYNZBADDFOWZNC-UHFFFAOYSA-N 442.496 5.387 30 10 IKEE Cc1cc(Oc2cccc(C(F)(F)F)c2)nc(C2CCN(c3ccnc(C#N)c3)CC2)n1 2296586835 HTDKDNZLQCVRPZ-UHFFFAOYSA-N 439.441 5.247 30 10 IKEE CCCCN(C)Cc1c(O)ccc2c1OC(=Cc1cn(CC)c3ccc(OC)cc13)C2=O 2296590687 BNCBZIGIGYJUDJ-UHFFFAOYSA-N 434.536 5.224 30 10 IKEE O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccc(Cl)cc2Cl)C1=C(O)c1ccccc1 2296925521 KTVQIUIZLKMUFG-FQEVSTJZSA-N 439.298 5.010 30 10 IKEE Cc1ccc2c(c1)SC(=C1C[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]3(C)C1=O)S2 2297464325 YMDSWPZYGHRYGY-FGZLSURMSA-N 438.702 8.016 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(C(C)(C)C)cc3)c2)c(OC)c1 2314429312 DEMQYWGTSKJVIH-UHFFFAOYSA-N 444.527 6.117 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1OC 2314429457 HQSFQEVDSCFOJC-UHFFFAOYSA-N 444.527 6.117 30 10 IKEE C=CCC(CC=C)[C@@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2316714364 GJMMUXPYNGPZBW-SQHAQQRYSA-N 441.660 5.292 30 10 IKEE CCCN(CCC)C(=O)CSc1nnc(C2CC2)n1N=Cc1ccc(C(C)(C)C)cc1 2320886529 ZVEYTXITNJHUTL-UHFFFAOYSA-N 441.645 5.076 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1cn(C)c4ccccc14)C3=O)CN(C1CCCCCC1)CO2 2322359568 CWSYYTXRBWHQMQ-UHFFFAOYSA-N 442.559 5.978 30 10 IKEE COc1ccc(C=C2Oc3c(cc4c(c3C)OCN([C@H]3CCCC[C@H]3C)C4)C2=O)cc1OC 2322391622 GDWZXYZRAFXVGS-IERDGZPVSA-N 449.547 5.359 30 10 IKEE COc1ccc([C@@H](C)N2COc3c(cc4c(c3C)OC(=Cc3ccccc3F)C4=O)C2)cc1 2322437263 YNWGZPZVNYFAOA-QGZVFWFLSA-N 445.490 5.672 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OC(=O)c4ccccc4F)cc(C)c3C2=O)cc1 2322798954 LYXYEBQZCMZYJF-UHFFFAOYSA-N 445.490 5.816 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc(OC(=O)CCCOc3ccccc3)c2C)C1=O 2323178369 UDTYNYRCIUPPPY-UHFFFAOYSA-N 444.483 5.384 30 10 IKEE COc1ccc(C=CC(=O)c2cccc3ccccc23)cc1OCc1cccc2ccccc12 2323202179 OKSLTKDXWSTLKI-UHFFFAOYSA-N 444.530 7.477 30 10 IKEE Cc1c(OC(=O)c2cc3ccccc3oc2=O)ccc2c1OC(=Cc1cccc(F)c1)C2=O 2323569405 UFEDJPSLHNBCPB-UHFFFAOYSA-N 442.398 5.076 30 10 IKEE CC(C)COc1cccc(C(=O)Oc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)c1 2323579814 CJPWQRMFGGFTRS-UHFFFAOYSA-N 440.495 6.113 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)c4ccc(C=CC(=O)O)cc4)cc(C)c3C2=O)c1 2323620099 UIUFCXMIJIUGMT-UHFFFAOYSA-N 440.451 5.237 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OCC(=O)NCc1ccccc1 2323816269 TVDNRABPLOWGPG-UHFFFAOYSA-N 441.527 5.015 30 10 IKEE CCOc1cc(C=NNc2nc(-c3ccc(C)c(C)c3)cs2)cc(Br)c1O 2323840563 RUWNCXPUOZKACV-UHFFFAOYSA-N 446.370 5.740 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCc3c(F)cccc3Cl)c(Cl)c2)c(C)c1 2323854576 XCNFXXLOCAGUQQ-UHFFFAOYSA-N 429.318 7.224 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OCc1ccccc1C 2324080708 QMHHNJXJRWIMRG-UHFFFAOYSA-N 436.891 5.861 30 10 IKEE CC1CCN(Cc2c(O)ccc3c2OC(=Cc2ccccc2Br)C3=O)CC1 2324151809 LRANSBDLDKVZTE-UHFFFAOYSA-N 428.326 5.003 30 10 IKEE Cc1cc(OCCOc2ccccc2F)cc2c1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)O2 2324857717 PBHRKOJJGBFOTJ-UHFFFAOYSA-N 435.407 5.116 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(c4ccccc4)c4ccccc4)ccc3C2=O)c1 2325215729 BSYDMVIUUWEDPF-UHFFFAOYSA-N 434.491 6.480 30 10 IKEE Cc1c(OCCC(=O)Nc2ccccc2)ccc2c1OC(=Cc1ccc(Cl)cc1)C2=O 2325481559 MHDNWBAFRHCYHM-UHFFFAOYSA-N 433.891 5.672 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(OC(C)C)c(OC)c1 2325553852 BCILFCIHTSNRAV-UHFFFAOYSA-N 442.560 5.340 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(C)o2)C3=O)cc1 2325614064 BPHPOULKCHHQGE-MRXNPFEDSA-N 431.488 5.735 30 10 IKEE CCc1ccc(CCC(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c(F)c3)c2)cc1 2325748830 HYOXFEVMVYKSHZ-UHFFFAOYSA-N 432.491 5.831 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccc(F)cc1 2326006552 CPWBPVQWUOKHED-UHFFFAOYSA-N 444.963 5.633 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1N=Cc1cccc(OCC(C)C)c1 2326272692 ARKINMDUXSXBIP-UHFFFAOYSA-N 440.588 5.969 30 10 IKEE CCOc1ccc(C=Nn2c(CC)nnc2SCc2ccccc2Cl)cc1Cl 2326545989 MMQPRDUOVQPDDO-UHFFFAOYSA-N 435.380 5.721 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1cccc(Cl)c1Cl 2326570178 UTDAKLWZBYOCRI-UHFFFAOYSA-N 443.762 6.114 30 10 IKEE CCCOc1ccc(C=Nn2c(COc3c(C)ccc(C)c3C)nnc2SCC)cc1 2327266127 VPUQRWLBTHRMCS-UHFFFAOYSA-N 438.597 5.565 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccccc1OC 2328056487 KIQSIDZWNWJDKL-UHFFFAOYSA-N 426.973 5.276 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2cccc(F)c2)n1N=Cc1cccnc1 2328552526 ZPBQGDZRRXCUBN-UHFFFAOYSA-N 447.539 5.183 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc(OC)c2)n1N=Cc1ccc(C(C)(C)C)cc1 2328636528 CSEBWWILRMHSNA-UHFFFAOYSA-N 448.636 5.920 30 10 IKEE Cc1ccc(OCc2nnc(SCc3cccc(F)c3)n2N=Cc2cccnc2)cc1C 2328782183 OWNILKYMQMMOHI-UHFFFAOYSA-N 447.539 5.183 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccco1 2329777670 MPOQGFUWHWKJTM-UHFFFAOYSA-N 426.904 5.429 30 10 IKEE Fc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccccc2F)c(F)c1 2330269939 CFMWFAUVFHYUOQ-UHFFFAOYSA-N 444.526 5.993 30 10 IKEE COc1cc(C=Nn2c(SCc3ccc(F)cc3)nnc2-c2cccs2)ccc1O 2330539505 LIDHVNQJWJNHPT-UHFFFAOYSA-N 440.525 5.034 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2ccccc2)c1C 2330632706 FUXQOKHSKGRHKW-UHFFFAOYSA-N 441.560 5.175 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2Cl)c(Cl)c1)c1ccccc1Cl 2330913284 FBPZAYKCIUMYQL-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCCC3)n2N=Cc2ccc(C(C)(C)C)cc2)c1 2331077627 KZHGNZDSLWRQDL-UHFFFAOYSA-N 446.664 7.025 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)c1ccc(C)c(C)c1 2331279394 TXKOEWUVOFWVFH-UHFFFAOYSA-N 448.946 6.779 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1N=Cc1cccc(Cl)c1 2331327743 OOTYHSMDIMXCDC-UHFFFAOYSA-N 441.988 5.196 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)c1ccccc1C 2331329001 MNOWXFNAABMBJM-UHFFFAOYSA-N 440.539 6.464 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)c1cccs1 2331331474 DJEGVZUTFAZSHH-UHFFFAOYSA-N 430.884 5.973 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)C(C)(C)C)c(Br)c2)c(C)c1C 2331616687 ZUFNRPZIHFSBBO-UHFFFAOYSA-N 445.353 5.922 30 10 IKEE COc1cc(C=Nn2c(SCc3cc(C)ccc3C)nnc2C(C)C)cc(Cl)c1O 2331699405 LKRJZPWZTJMQMY-UHFFFAOYSA-N 444.988 5.560 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)cc3)cc2)c(OC)c1OC 2331885492 UQYGIUOLYPYNSH-UHFFFAOYSA-N 446.499 5.065 30 10 IKEE CC1(C)OB(C=Cc2ccc(Nc3ccc(I)cc3)nc2)OC1(C)C 2339577443 SOJSJFOLANWDAB-UHFFFAOYSA-N 448.113 5.074 30 10 IKEE CSc1cccc(Oc2ccc(Br)c(NC(=O)OC(C)(C)C)c2)c1C#N 2344225255 NEAGRWFRBMLGOG-UHFFFAOYSA-N 435.343 6.182 30 10 IKEE CCCN[C@H](C#Cc1cccs1)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2363633227 GOCPGSFAICGBQC-LJQANCHMSA-N 449.414 5.950 30 10 IKEE N#CC1(C#N)[C@@H](c2ccc(Br)cc2F)[C@H]1C(=O)C12CC3CC(CC(C3)C1)C2 16037717 SPHGPQZGQGWSKW-KPMSJEMISA-N 427.317 5.121 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3F)nn1[C@H]2c1cccs1 17242669 HROHJEXCQGKFLP-IBGZPJMESA-N 440.569 5.429 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)cc2Cl)cc1 20881563 FFTYQWGZIRBFIU-KXBFYZLASA-N 444.358 5.787 30 10 IKEE O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@H](c1cc(Cl)ccc1O)Nc1ccccc1N2 20884120 MWXTWWWTFPPAGZ-BZQUYTCOSA-N 434.898 6.164 30 10 IKEE O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@H](c1ccccc1[N+](=O)[O-])Nc1ccccc1N2 21254741 FQQJTOGKYRPJBR-LMKMVOKYSA-N 429.451 5.713 30 10 IKEE Cc1ccc2c(C)c(C(=O)c3c(C)c(C#N)c(=O)n([C@H](C)c4ccccc4)c3O)oc2c1C 38623512 LQELWCFAKKRQOD-GOSISDBHSA-N 440.499 5.246 30 10 IKEE COc1cccc(/C(C)=C2\S/C(=N/c3cccc(C(=O)O)c3)N(c3ccccc3)C2=O)c1 39866791 PDMGQNBCONFEPN-QRPQPOARSA-N 444.512 5.592 30 10 IKEE CC(C)c1ccc(/C=C2\S/C(=N/c3cccc(C(=O)O)c3)N(C3CCCCC3)C2=O)cc1 39866835 RNWLYUVPKLDDNB-LXIZZWGISA-N 448.588 6.445 30 10 IKEE COc1ccc(/N=C(/Nc2ccc(OC)cc2OC)SCc2ccccc2)c(OC)c1 59449736 MUMWEHHFHXOOGU-UHFFFAOYSA-N 438.549 5.754 30 10 IKEE Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C\c1ccc2cccnc2c1 96904525 PWYPCMVWQCPFOW-UVTDQMKNSA-N 434.926 7.308 30 10 IKEE COc1cccc(/C=N/c2ccc(Cc3ccc(/N=C/c4cccc(OC)c4)cc3)cc2)c1 100042472 QZDBGEPMGMBZKT-OQIGUVFWSA-N 434.539 6.796 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2Cl)cc1 100154127 KIHHURSQFZWAOK-UHFFFAOYSA-N 439.408 6.469 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1ccc(C(=O)NCC)cc1 100444256 OCQDIQZABCCXTK-UHFFFAOYSA-N 433.662 5.950 30 10 IKEE CCCCCCCCCCCCOc1ccc(/N=C/c2ccc(C(=O)O)cc2)cc1Cl 101006122 MIGPQQYAHDUEGP-VFCFBJKWSA-N 444.015 8.089 30 10 IKEE C=CCOc1ccc(/C=C2\S/C(=N/c3nc(-c4ccccc4)cs3)N(C)C2=O)cc1 101130079 PVSIIFPUAXJXCA-QJYUKRAPSA-N 433.558 5.609 30 10 IKEE CCCCCCCCOc1ccc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)cc1 103037930 OERNSJQCJYSDMU-PTGBLXJZSA-N 439.646 7.140 30 10 IKEE N#C[C@H](C(=O)c1cc(Br)ccc1Br)c1ccc(Cl)cc1Cl 160719517 CYDJETMSTLVNQZ-LBPRGKRZSA-N 447.941 6.008 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C)cc2C)c1 169935550 FXVSDFXBZWAMLM-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccc(OC)c2)cc1 169937073 RRSQSGWABQZSRE-XMMPIXPASA-N 443.499 5.185 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3ccc(Cl)cc3)cs2)cc([N+](=O)[O-])c1OCC 169940329 ZUZXMFJPBGECQE-JJFYIABZSA-N 446.916 5.615 30 10 IKEE CCOc1cc(OCC)c([N+](=O)[O-])cc1/C=N\Nc1nc(-c2ccc(C)c(C)c2)cs1 169941307 CGWRZUFGLGELOX-FMCGGJTJSA-N 440.525 5.579 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@H]2c2cccnc2)cc1 170009355 RBACPTGACDUENW-QFIPXVFZSA-N 432.907 5.389 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccc(C)cc2)c1 170037145 NFWYUMZGDCIOCP-NRFANRHFSA-N 448.544 5.250 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccccc2C)cc1 170089328 MQWILRCLRMKRRW-XMMPIXPASA-N 443.499 5.185 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(CC)cc3)[C@H]2c2ccco2)c1 170089645 YNYYCRNHQBXVIB-HSZRJFAPSA-N 431.488 5.414 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2C2CCCCC2)cc1 170114602 BZLNCMODKOAQJF-QHCPKHFHSA-N 430.504 5.088 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1cccc(C)c1 170146884 QUMGUJYRMCDZAK-XMMPIXPASA-N 435.564 5.717 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccncc1)c1cccc(Cl)c1 170203716 CEYNPMURNFTYRL-LJQANCHMSA-N 425.271 5.171 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(F)cc2)cc1 170239986 KUVVNKIANNOWMY-VOIUYBSRSA-N 443.474 5.240 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccccc1F)c1cccc(Cl)c1 170246869 FPGVTUNTFGWJRR-IBGZPJMESA-N 427.884 5.319 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@@H]1c1c(C)[nH]c2ccccc12 170312107 MRGZIUVXGZKGTI-NRFANRHFSA-N 438.911 5.127 30 10 IKEE CC(C)C(=O)C1=C(O)C(=O)N(c2nc3ccc(C(C)(C)C)cc3s2)[C@H]1c1cccnc1 170482015 DJAWWSLTVQFECD-IBGZPJMESA-N 435.549 5.114 30 10 IKEE CC1(C)CC[C@]2(C=O)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 257545802 STHRNDDZYFUIDO-KRFXKDPMSA-N 440.712 7.348 30 10 IKEE endogenous,in-man Cc1ccsc1[C@@H]1C(c2ccc(Cl)c(Cl)c2)=C(O)C(=O)N1c1ccc(C#N)cc1 526491916 ZKZDAFBTORJJTH-IBGZPJMESA-N 441.339 6.292 30 10 IKEE COc1ccc([C@H]2C(c3cccc4ccccc34)=C(O)C(=O)N2c2cccc(C#N)c2)cc1O 526523249 VAAXFWOHVAASSR-SANMLTNESA-N 448.478 5.483 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccc(O)c2)c1 526603780 CHTRWVJOKYAYLC-VWLOTQADSA-N 440.499 5.500 30 10 IKEE CCc1nnc(SCc2cccc(C)c2)n1/N=C\c1c(Cl)ccc(Cl)c1Cl 526807815 GQRQZOLZFLOEKE-RMORIDSASA-N 439.799 6.284 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1c(OC)ccc2ccccc12 526811339 HUYGBZJZNIYVJK-YUMHPJSZSA-N 444.604 6.184 30 10 IKEE C=CCCC[C@H](NCCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 693664128 UCZXWRICBXVOON-QHCPKHFHSA-N 429.649 5.270 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)COc2ccccc2C1 698458207 NYBBODKMDKOIFM-NRFANRHFSA-N 429.314 5.088 30 10 IKEE CCOc1ccccc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 698483421 VYPYSDQMAFZZCH-GOSISDBHSA-N 431.330 5.854 30 10 IKEE Clc1ccc(-n2c(-c3ccccc3)cc(C=Nc3ccccc3)c2-c2ccccc2)cc1 1084131209 CDKCUANIRFMBFJ-UHFFFAOYSA-N 432.954 8.215 30 10 IKEE O=C(O)c1cc(Cl)cc(N=C/C=C\Nc2cc(Cl)cc(C(=O)O)c2Cl)c1Cl 1088706440 UMNBEUNGSACYIC-MQYIUMHBSA-N 448.089 6.025 30 10 IKEE CCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=Nc1nc(-c2ccccc2)cs1 1772738169 OWRFMKNOPPWCHN-AQEWOIMGSA-N 436.518 5.342 30 10 IKEE C=CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=Nc1nc(-c2ccccc2)cs1 1772739808 VODSQKPVTNJECU-LAOXNMEFSA-N 429.570 6.156 30 10 IKEE COc1ccc(OC)c(/C=C2/SC(=Nc3nc(C)cs3)N(C3CCCCC3)C2=O)c1 1772740216 WRZMYKGDDZGKHE-VLTWACRQSA-N 443.594 5.405 30 10 IKEE C/C(C=NN=C1S/C(=C\c2cccs2)C(=O)N1Cc1ccco1)=C/c1ccccc1 1772758988 IVZXFHNYNAOJMB-DBGGFVBTSA-N 433.558 5.903 30 10 IKEE Cc1ccc(NC(=S)N/N=C\c2cn(-c3ccc(F)cc3)nc2-c2ccccc2)cc1 1857808320 BKPQLJUGXUTRFE-YSMPRRRNSA-N 429.524 5.307 30 10 IKEE C=CCN(CC=C)C(=O)Oc1cccc2c(NC(=O)COc3c(C)cccc3C)cccc12 1858947188 AVOODLISHPNFPH-UHFFFAOYSA-N 444.531 5.647 30 10 IKEE CC(C)C[C@@H](C)N(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(F)c1 1859940491 ILVVTURDTKYPNZ-CYBMUJFWSA-N 435.383 6.945 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2Cl)=C(O)C(=O)N1C1CCCCC1 1862379731 JGURTHUCGLAMIW-NRFANRHFSA-N 444.358 6.213 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@H]2c2ccc(C)cc2)cc1 1862412679 KPNWDHLKHJNKSW-XMMPIXPASA-N 447.481 5.403 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@H]2c2cccc(C)c2)cc1 1862429491 ORNHORBCWXLVCO-XMMPIXPASA-N 445.946 5.778 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@H]1c1ccc(F)cc1)c1ccccc1Cl 1862430763 RDVGAMYOCIODBV-QHCPKHFHSA-N 449.909 5.690 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(OCC)c(OCC)c1 1862454022 NWFWNHLJWVLUQD-NRFANRHFSA-N 443.927 5.126 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2ccccc2F)cc1 1862474599 PQCLISOGWKXZPA-XMMPIXPASA-N 429.491 5.345 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@@H](C)CC)cc1OCC 1862484500 OCZGADJYXVTZIL-GAJHUEQPSA-N 437.536 5.169 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@H](C)c2ccccc2)c1 1862489909 JZSXVCIQAXEKES-NLFFAJNJSA-N 425.528 5.951 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccccc2[N+](=O)[O-])c1 1862492189 LLUVQPOSSBXJLO-LLBVYWAGSA-N 448.519 5.369 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862497309 GVQQDFWXTDMLNK-XOBRGWDASA-N 442.899 5.242 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862560855 NLRLVSGPWABGLO-XMMPIXPASA-N 426.516 5.171 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccccc2)cc1F 1862636384 GBTLSXJDDFJCJH-HSZRJFAPSA-N 437.511 5.526 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2[C@H](C)CC)cc1 1862655739 OKYRWVSTJORNAG-IQGLISFBSA-N 443.543 6.005 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(F)cc1F 1862676091 ZTXJGLIRBTWFOT-XMSQKQJNSA-N 445.481 6.041 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2cccc(O)c2)cc1 1862687816 QFEMBQUDWYSGHL-HSZRJFAPSA-N 435.520 5.092 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccc(O)cc2)c1 1862698393 HDDKQVSNCRFATO-QHCPKHFHSA-N 435.520 5.092 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2cccc(Cl)c2)c1 1862700121 BGUFDTNYJXPDBP-ZAOYMGCJSA-N 439.939 5.506 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(Cl)cc2)[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 1862747434 MISVFVUGPKCDEN-OAQYLSRUSA-N 448.862 5.027 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C(=O)N1[C@@H](C)c1ccccc1 1862747674 USJARXVANWDEKX-SBUREZEXSA-N 442.471 5.243 30 10 IKEE Cc1cccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(Cl)c(Cl)c3)C2=O)c1 1862909482 QHEYKSZULWNPEP-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE CCCCCCN1C(=O)C(Nc2ccccc2C#N)=C(c2cc(Cl)ccc2Cl)C1=O 1863391831 BZNXPNFXEOWOKO-UHFFFAOYSA-N 442.346 5.637 30 10 IKEE CCCCCCCCNC1=C(c2cccc3ccccc23)C(=O)N(Cc2ccccc2)C1=O 1863576532 OYYLVILFEWCJBV-UHFFFAOYSA-N 440.587 6.070 30 10 IKEE CN(CC(C)(C)c1ccccc1)c1cc(Nc2cccc(C#N)c2)nc(-c2ccccc2)n1 1868354911 RCLGLZIQAOTZOA-UHFFFAOYSA-N 433.559 6.173 30 10 IKEE Cc1ccc(C)c2c1C[C@H](C)CN2c1cc(Nc2cccc(C#N)c2)nc(-c2ccccc2)n1 1868355059 XIAVNPIKTDOXHQ-IBGZPJMESA-N 445.570 6.706 30 10 IKEE CCCc1nc(Nc2ccccc2C#N)cc(N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)n1 1868397750 DHNGQGMDJSNTQD-XMMPIXPASA-N 439.607 6.683 30 10 IKEE CC(C)(C)c1ccc(-c2nc(Nc3ccc(C#N)cc3)cc(N3CCOCC3(C)C)n2)cc1 1868553419 WDGUJEWMTIGZIV-UHFFFAOYSA-N 441.579 5.672 30 10 IKEE C=CCN(CC=C)c1cc(N2C[C@@H](C)Cc3ccccc32)nc(-c2ccc(Cl)cc2)n1 1869259056 VPBLIRCRVBDDQI-IBGZPJMESA-N 430.983 6.306 30 10 IKEE CCCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN(CCC)CCCC 1870350603 NSYMSYQAKBIGIL-UHFFFAOYSA-N 437.628 5.891 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(OC)cc2)c(CN(CCC)CCC)cc1=O 1870414033 DGQWXPIPGBPIDP-UHFFFAOYSA-N 442.644 5.876 30 10 IKEE CCCCCCCCn1cc(OCCC(=O)OCC)c(=O)cc1CN(CCC)CCC 1870452626 OJYPWPQQJPCJMY-UHFFFAOYSA-N 436.637 5.163 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O3)CN(Cc1ccccc1F)CO2 1871346894 GYULSDMEZHVNJV-JJFYIABZSA-N 446.434 5.011 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc2c(c1C)O/C(=C\c1cccc(F)c1)C2=O 1871371545 WGAZKAMVGRERRW-JLPGSUDCSA-N 446.474 5.823 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(Cl)cc4[N+](=O)[O-])ccc3C2=O)cc1 1871373798 UKHBRHVTVFJICE-JJFYIABZSA-N 449.846 5.646 30 10 IKEE Cc1cc(OC(=O)Cc2cccc3ccccc23)cc2c1C(=O)/C(=C/c1ccc(F)cc1)O2 1871376441 KWOJYENEGZHWJI-QFEZKATASA-N 438.454 6.052 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2OC)C3=O)cc1 1871386993 CKMKIRZFDQPRLM-HAHDFKILSA-N 430.456 5.238 30 10 IKEE COc1cccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccc(F)cc4)cc(C)c3C2=O)c1 1871400381 AGZDXDINGXXLCA-GEWRUKCFSA-N 447.462 5.165 30 10 IKEE Cc1ccc(OCCCOc2ccc3c(c2C)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1 1871404766 FJCHXYACEBABPV-JLPGSUDCSA-N 445.471 5.676 30 10 IKEE COc1ccc(CCOc2ccc3c(c2C)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1 1871447936 IBQNJADWALCCBI-HAHDFKILSA-N 431.444 5.150 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2sccc2C)C3=O)cc1 1871450100 BCQFZLNWYUMPAP-ZGWJWYQGSA-N 447.556 6.204 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1ccco1)C2=O)Nc1cc(Cl)ccc1Cl 1871457748 WPWTXGHZFWFRAW-GRSHGNNSSA-N 430.243 5.220 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(Cl)cc2C)[nH]c(N2CCC[C@H](C)C2)n1 1871568478 WRIUXLRELPKNMS-SFHVURJKSA-N 445.055 6.008 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(CCCC)cc1)[C@H](C)CC)S(=O)(=O)c1cccs1 1871830943 ARBGXHQJOLZXGC-GCJKJVERSA-N 448.654 5.321 30 10 IKEE N#C[C@@H](C(=O)CCc1ccc(Cl)cc1)c1nc(-c2cccc(Br)c2)cs1 1872763212 HDVXGTSYPUQVHV-KRWDZBQOSA-N 445.769 6.035 30 10 IKEE CCOc1ccc(CCC(=O)[C@H](C#N)c2nc(-c3ccccc3OC)cs2)cc1OC 1872766811 KLJSPDOIZNUKIF-SFHVURJKSA-N 436.533 5.035 30 10 IKEE COc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 1872768835 DAFUOYROMJAWLF-VCIFKONDSA-N 429.328 6.015 30 10 IKEE N#C[C@@H](C(=O)CCCOc1ccccc1Cl)c1nc(-c2ccc3c(c2)OCO3)cs1 1872773809 YTCSIZPHANVBOB-HNNXBMFYSA-N 440.908 5.228 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@H](C#N)C(=O)Cc3cc(C)ccc3C)n2)c1 1872780120 AELGAEHYRSHHAN-OAQYLSRUSA-N 434.561 5.643 30 10 IKEE N#C[C@@H](C(=O)c1ccccc1C(=O)c1ccccc1)c1nc(-c2ccc(Cl)s2)cs1 1872789452 JJBSPCQAKVNPPT-KRWDZBQOSA-N 448.956 6.246 30 10 IKEE C=CCc1ccccc1OCc1cccc(C(=O)NCc2ccc(C(=O)OC(C)C)cc2)c1 1872834403 VLMFLKWUKCYVDT-UHFFFAOYSA-N 443.543 5.489 30 10 IKEE CCCn1c(SCc2cccc(C(=O)Nc3ccccc3C#N)c2)nc2ccccc21 1872891994 KQGPXGHWWPOWDW-UHFFFAOYSA-N 426.545 5.863 30 10 IKEE CCCCCCCCN1C(=O)C(NCCc2cccs2)=C(c2cc(F)cc(F)c2)C1=O 1873113482 UMXJLQQYBVVYIY-UHFFFAOYSA-N 446.563 5.299 30 10 IKEE CCCCCCCCNC(=O)c1cc2c(N3CCC[C@H](C)C3)ncnc2n1CC(C)C 1873577607 ZWGROFWJJGSKCI-FQEVSTJZSA-N 427.637 5.414 30 10 IKEE C=CCn1c(C(=O)NCCCCCC)cc2c(N(CCCC)CCCCCC)ncnc21 1873595429 CALZVMHTHJWQKO-UHFFFAOYSA-N 441.664 6.114 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)cc2)cc2c(NCCc3ccc(C)cc3)ncnc21 1873616940 OOIDKLAHBYKQLU-UHFFFAOYSA-N 425.536 5.141 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(N3CCCCC3)cc2)cc2c(NCCCCC)ncnc21 1873623053 RGOUBQYBYZQRLK-UHFFFAOYSA-N 446.599 5.462 30 10 IKEE C=CCn1c(C(=O)Nc2ccccc2C(C)C)cc2c(NCCC3=CCCCC3)ncnc21 1873639542 YIFGAZFECWUXFQ-UHFFFAOYSA-N 443.595 6.295 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](C)Oc1cc(C)cc2oc(=O)cc(CCCC)c12 1873937063 YAXCTZXAMGORTI-OAQYLSRUSA-N 443.628 6.468 30 10 IKEE C=CCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccc(F)cc1F 1874256294 SWPNQEWFCRPBGN-BRJLIKDPSA-N 428.508 5.221 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2/N=C/c2cccs2)c1 1874357129 RMAIRNXZIKRPNQ-MFKUBSTISA-N 432.618 6.030 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccccc3Cl)n2/N=C/c2cccnc2)cc1 1874368130 WHJSWQSKAWTSHZ-DHRITJCHSA-N 440.359 5.821 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccco1 1874397617 DZXJEUOSRXVVGB-VSRRSJTHSA-N 440.931 5.990 30 10 IKEE CC(C)c1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCCc2ccccc2)cc1 1874408012 AYKHBRRMJHLAAC-VFCFBJKWSA-N 446.664 6.741 30 10 IKEE Clc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCCc2ccccc2)cc1 1874413156 FPNIMZIRVMQHPD-LFVJCYFKSA-N 439.009 5.801 30 10 IKEE CCc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 1874416278 ICGDOXXNHFUMLP-WPWMEQJKSA-N 430.552 5.745 30 10 IKEE CCOc1cc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2)ccc1O 1874428596 QOSDWMAHCNNHKZ-PCLIKHOPSA-N 430.533 5.224 30 10 IKEE O=[N+]([O-])c1ccccc1/C=N/n1c(SCc2cccc(F)c2)nnc1C1CCCC1 1874454439 LYQNJNGTBWIVRO-YDZHTSKRSA-N 425.489 5.158 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SCCC)nnc2C2CCCC2)cc1OC 1874456942 RVRVUZFDIDQYMP-JJIBRWJFSA-N 430.618 5.898 30 10 IKEE C=C(C)CSc1nnc(C2CC2)n1/N=C/c1ccc(OCc2ccccc2)c(OCC)c1 1874519868 PIERTSJTZKLEQF-CVKSISIWSA-N 448.592 5.684 30 10 IKEE C=CCSc1nnc(C2CC2)n1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1874521089 APPRBFSRXKDDBY-WPWMEQJKSA-N 440.572 6.048 30 10 IKEE Clc1cccc(Cl)c1CSc1nncn1/N=C/c1ccc(Br)cc1 1874539283 WTKUDHQZOYPVAF-ODCIPOBUSA-N 442.169 5.522 30 10 IKEE Sc1nnc(C2CCCC2)n1/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1 1874559783 OEHAWZAIUUASSL-WYMPLXKRSA-N 447.391 5.992 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc3ccccc3c2)c1OCc1ccccc1 1874571289 FWDDSOKFHRLYDA-BUHFOSPRSA-N 428.915 6.977 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2c(C)cccc2C)c1 1874572534 SCLYKQQPVSDXIT-ZRDIBKRKSA-N 449.934 5.879 30 10 IKEE CCc1ccc(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1 1874575606 WNDMKWBIFTVCOD-LFIBNONCSA-N 430.460 5.071 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2cc(C)ccc2C)c1OCc1ccc(Cl)cc1 1874580647 YUFBQSFYBGAYHJ-DHZHZOJOSA-N 441.354 7.094 30 10 IKEE CCc1ccc(NC(=O)COc2ccccc2/C=C/C(=O)c2cccc3ccccc23)cc1 1874582485 PWKPZZRSHOVCQT-KNTRCKAVSA-N 435.523 6.316 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)c1OCc1ccc(Cl)cc1 1874585732 CHZSHQDPDGDREH-JLHYYAGUSA-N 436.935 6.449 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1OCc1cc(C)ccc1C 1874593226 YPLOQBNSPRAMCA-GXDHUFHOSA-N 426.556 6.666 30 10 IKEE CCCOc1c(OC)ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)c1Br 1874599981 MVTLLRNCYCTBEP-FMIVXFBMSA-N 445.397 6.749 30 10 IKEE COc1c(Br)cc(/C=C/C(=O)c2ccc3ccccc3c2)cc1Br 1874602439 MJLGSTNGCURPFY-RMKNXTFCSA-N 446.138 6.270 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 1874610559 ZEMHJLWQKHUPNO-WLRTZDKTSA-N 448.431 5.377 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCC(=O)N[C@@H](C)c1ccccc1 1874616564 IDXSJWHOUIXTQK-AUFJSOOLSA-N 443.543 5.546 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)c1OCCc1ccccc1 1874618335 VNPURXLAWXQENR-OUKQBFOZSA-N 434.963 6.873 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3)c(Br)c2)cc1 1874622297 AHVPXNFNFOYFCW-OQLLNIDSSA-N 449.388 7.222 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)ccc2OC)cc1 1874693102 NDVRQUANEYNYJW-NTUHNPAUSA-N 447.443 5.117 30 10 IKEE O=C(Oc1cccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(F)c(F)c1 1874695562 IEZNBYVFGCBUJZ-RUDMXATFSA-N 433.237 6.387 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1OC(=O)c1cccc(Cl)c1 1874704676 WQLBWCPXWCKDJE-CSKARUKUSA-N 436.891 5.781 30 10 IKEE CCCCCCC(=O)Oc1cccc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)c1 1874711908 KZQOUKGLGQJDOB-VAWYXSNFSA-N 435.347 6.774 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc1OC(=O)C(F)(F)F 1874719033 XEUNMNTVXANOTO-JXMROGBWSA-N 430.378 5.221 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OC)c([N+](=O)[O-])c3)cc2)cc1 1875099987 ISHCIRINSJLOLO-RIYZIHGNSA-N 431.444 5.281 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc(OC)cc(OC)c3)cc2)cc1 1875105957 URRAPPZQPQYSIV-LFIBNONCSA-N 444.527 6.162 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3)c([N+](=O)[O-])c2)cc1C 1875108636 YIFCZXOMIYACJV-XYOKQWHBSA-N 445.471 5.346 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1 1875134409 RKKBCPKKNOBWAO-MDWZMJQESA-N 425.311 6.346 30 10 IKEE O=C(CCOc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 1875159808 LXDGKTXFEVOOTC-WUXMJOGZSA-N 435.407 5.005 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(Cl)cc(C)c3OC)cc2)cc1 1875181934 DHGRDCJNSZKWCN-AWNIVKPZSA-N 436.891 5.781 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3F)c([N+](=O)[O-])c2)c(C)c1 1875183160 NDEHCVZTFKGZKL-CSKARUKUSA-N 433.435 5.774 30 10 IKEE CCCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc1OC 1875193159 VMWMIZMAPXCBNR-CSKARUKUSA-N 432.900 5.358 30 10 IKEE O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(Oc2ccccc2F)CC1 1890132910 WIRVRDIUERZANZ-UHFFFAOYSA-N 435.339 5.547 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)CCCc3ccc(C(C)C)cc3)cc21 1890718580 JKJSSCQSIQQRPF-UHFFFAOYSA-N 434.580 5.709 30 10 IKEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 1912177440 DYLOBGUKOGMKTO-SJORKVTESA-N 438.573 5.003 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)C1(CNC(=O)OC(C)(C)C)CCCCCC1 1922126294 SKTUYRPJTCOXCB-HSZRJFAPSA-N 430.633 5.603 30 10 IKEE CCC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(C)c1 1945774758 WROCWUZUIVUKTE-UYAOXDASSA-N 431.577 5.570 30 10 IKEE N#Cc1ccccc1[C@H](CCCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 1951669099 SSNUHEWZQWFKBV-VWLOTQADSA-N 440.499 5.393 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 1953170063 DWFMDIBDVZGCEP-DEOSSOPVSA-N 429.561 5.107 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)C1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 1997652682 OJTHNYUTSXQQTD-QZTJIDSGSA-N 435.609 5.341 30 10 IKEE C/C=C1/C(=O)[C@@H]2[C@H](CC[C@]3(C)[C@H]([C@@H](C)CCC(=O)OC)CC[C@@H]23)[C@@]2(C)CC[C@H](O)C[C@H]12 2037854501 SXDZXAFUWCERDJ-FOAASSCRSA-N 430.629 5.331 30 10 IKEE O=C(C(=Cc1c[nH]c2ccccc12)c1nc2ccccc2[nH]1)c1ccc(OC(F)F)cc1 2040479990 FJJQMFYEXUTOTN-UHFFFAOYSA-N 429.426 6.069 30 10 IKEE COc1cc(OC)c(OC)cc1C=C(C(=O)c1ccc(C)cc1)c1nc2ccccc2o1 2040515957 ATVSEIKSHPXOSM-UHFFFAOYSA-N 429.472 5.586 30 10 IKEE Cc1cc(F)c([C@@H](C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)c(Br)c1 2053189764 SSVXFGJMVCLDBU-GFCCVEGCSA-N 425.220 5.261 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Cl)c1Br)NCCC 2063091037 YMGDVYLRMOHOLY-HZPDHXFCSA-N 431.802 5.093 30 10 IKEE Fc1ccc(Cn2nc(Br)c(Cl)c2C(F)(F)F)cc1C(F)(F)F 2079143566 KLYWMLSNSPKWRM-UHFFFAOYSA-N 425.529 5.524 30 10 IKEE CC(C)(C)c1nn2c(Cl)c(C#N)cnc2c1-c1cc(F)c(F)cc1Br 2081245570 WFYYJPGKDJJUOZ-UHFFFAOYSA-N 425.664 5.260 30 10 IKEE CCCCC#CC[C@@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2083449493 ZCAGNRPSFRQXIS-SQHAQQRYSA-N 441.660 5.108 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@H](C#N)c1cc(O)ccc1Br 2088247401 YIABNXZTUOFQBF-QGZVFWFLSA-N 437.721 5.814 30 10 IKEE N#Cc1cc(NCc2ccc(Br)cc2Br)ccc1Br 2092162939 IQNHIDYIBAIGQP-UHFFFAOYSA-N 444.952 5.458 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H](C2(Nc3cc(Br)cc(F)c3C#N)CC2)C1 2163690762 YMCYDHHKRMOSFJ-ZDUSSCGKSA-N 438.341 5.051 30 10 IKEE CCCCC#CC[C@H](NCCC)c1ccc(Br)cc1I 2207270697 CYLVAKCMNLVUDH-KRWDZBQOSA-N 448.186 5.678 30 10 IKEE CCN[C@H](C#Cc1cccc(OC)c1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2221918316 ANNFGOZCIZNTEL-DEOSSOPVSA-N 436.596 5.242 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)C[C@@H](CCC)NC(=O)OC(C)(C)C 2235717336 JFLOVWSFWJLKGE-RTBURBONSA-N 437.422 5.252 30 10 IKEE CC(C)(C)OC(=O)NCc1cccc(Cl)c1Nc1ncc(Br)cc1C#N 2269407584 ACMWCXYLLMZBMQ-UHFFFAOYSA-N 437.725 5.137 30 10 IKEE CCCN1C(=O)C(=Cc2ccc(OCc3ccccc3C#N)c(OCC)c2)SC1=S 2293826937 SVGKAHYTYKIKCU-UHFFFAOYSA-N 438.574 5.147 30 10 IKEE Cc1cc2cc(-c3ccccc3)[nH]c2cc1NC(=CC(=O)c1ccccc1)c1ccccc1 2296651279 WMKDYMSVKYWUOV-UHFFFAOYSA-N 428.535 7.479 30 10 IKEE C=CCNC(=S)N1N=C2C(=Cc3ccc(OC)cc3)CCC[C@H]2[C@H]1c1ccc(OC)cc1 2296792959 KUDIFHJEAAEZSH-ILBGXUMGSA-N 447.604 5.361 30 10 IKEE Cc1cccc(N=C2SC(=C3C(=O)Nc4ccccc43)C(=O)N2c2cccc(C)c2)c1 2296880139 SQTBLSXUCCSCNY-UHFFFAOYSA-N 425.513 5.434 30 10 IKEE Fc1ccc(N2C(=S)C3(CCCCC3)[C@H](N3CCCCC3)C2=NC2CCCCC2)cc1 2297382633 VVWRIFLZGXTUFT-HSZRJFAPSA-N 441.660 6.509 30 10 IKEE COC(=N[C@@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl)c1ccc(C)cc1 2297453265 NTSSBJCZIZYUSP-INIZCTEOSA-N 430.788 5.071 30 10 IKEE Cc1ccc(N=CC=C2C=C(c3ccccc3)OC(C)(C)O2)cc1NC(=O)c1ccccc1 2297709174 FASAZHMWKWQXKQ-UHFFFAOYSA-N 438.527 6.658 30 10 IKEE CC(C)[C@@H]1C[C@@](C#N)(Nc2cccc(Br)c2)CN1C(=O)OCc1ccccc1 2321365171 MRTBSUNEFBWYDE-UNMCSNQZSA-N 442.357 5.190 30 10 IKEE Sc1nnc(Cc2cccs2)n1N=Cc1ccccc1OCc1ccccc1Cl 2321958272 YCZITYQHXHYGPF-UHFFFAOYSA-N 440.981 5.334 30 10 IKEE CCCCCCOc1ccc(C=Nn2c(S)nnc2CC2CCCCC2)cc1OC 2321958569 VOJVCKNZYCCEPG-UHFFFAOYSA-N 430.618 5.540 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccccc2OCc2cccc(F)c2)cc1OCCC 2322502490 SYMXXFIFQBFSAR-UHFFFAOYSA-N 448.534 6.878 30 10 IKEE CCOC(=O)c1ccc(COc2ccccc2C=CC(=O)c2ccc(Cl)c(Cl)c2)o1 2322580392 YDZKKAGEJVHLSR-UHFFFAOYSA-N 445.298 6.238 30 10 IKEE CCCOC(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc(OCC)cc1OCC 2322922397 BPSSCTFQXNFNPQ-UHFFFAOYSA-N 446.927 5.366 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccccc1OCc1cccc(Cl)c1 2322922533 ONUKYRVOJLKPCD-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3ccc(C)cc3C)c2)cc1 2323094369 OPPGPQXCUKOCHZ-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE Cc1cc(OC(=O)c2cnccn2)cc2c1C(=O)C(=Cc1ccc(-c3ccccc3)cc1)O2 2323203220 HNRFGLRPXGDJKZ-UHFFFAOYSA-N 434.451 5.287 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OCC(=O)OCC(C)C)c(OC)c2)cc1C 2323557527 XAEIBZUTHXAUJG-UHFFFAOYSA-N 446.927 5.140 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)cc1C 2323561050 PYHMMKGAYYFPCQ-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE Cc1cc(OC(=O)CCOc2ccccc2)cc2c1C(=O)C(=Cc1ccccc1Cl)O2 2323680963 ZJTZDRVRBNFECK-UHFFFAOYSA-N 434.875 5.639 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2sccc2C)C3=O)c(OC)c1 2323777642 NVRSMRAHOZHSCU-UHFFFAOYSA-N 436.485 5.218 30 10 IKEE Cc1c(OC(=O)c2ccc(OC(C)C)cc2)ccc2c1OC(=Cc1ccc(Cl)cc1)C2=O 2323813981 YFNJDDAFRHMERR-UHFFFAOYSA-N 448.902 6.271 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)c1 2323832191 VNOOQDMBIKQOTC-UHFFFAOYSA-N 445.427 5.219 30 10 IKEE COc1cccc(-c2csc(NN=Cc3cc(Br)c(OC)c(OC)c3)n2)c1 2323840412 ZTPKSAXMHZZXJC-UHFFFAOYSA-N 448.342 5.044 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCc3c(F)cccc3Cl)c([N+](=O)[O-])c2)cc1 2323900909 NYEMARIIXZNKOR-UHFFFAOYSA-N 425.843 6.171 30 10 IKEE O=C1C(=Cc2ccc(Cl)c(Cl)c2)Oc2cc(OCCOc3ccccc3)ccc21 2324220015 AOQPMJXNMASCLK-UHFFFAOYSA-N 427.283 6.067 30 10 IKEE CCCOc1c(Br)cc(C=CC(=O)c2ccc(OC)cc2OC)cc1OC 2324474579 SCRFDMFJAJDNGC-UHFFFAOYSA-N 435.314 5.160 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccccc2)C3=O)c(C)c1 2324494557 BNABSEWKWCJHJY-IBGZPJMESA-N 427.500 5.634 30 10 IKEE COc1ccc(C=C2Oc3cc(OCCCCOc4ccccc4)cc(C)c3C2=O)cc1 2324581259 NCFUAUCMMPSQNP-UHFFFAOYSA-N 430.500 5.858 30 10 IKEE CCOc1c(Br)cc(C=CC(=O)c2ccc(OC)c(Cl)c2)cc1OC 2324623168 AAUKRGWIZPELIK-UHFFFAOYSA-N 425.706 5.415 30 10 IKEE N#C[C@@H](C(=O)C(=Cc1ccccc1)c1ccccc1)c1nc(-c2ccc(F)c(F)c2)cs1 2324688375 ZQHNHUSZVMZCSJ-NRFANRHFSA-N 442.490 6.505 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)ccc1OCCc1ccccc1 2324691132 AXGQRRMKSHZFLS-UHFFFAOYSA-N 438.523 6.375 30 10 IKEE Cc1cc(OCc2ccc(C#N)cc2)cc2c1C(=O)C(=Cc1c(Cl)cccc1Cl)O2 2324760625 GDFYBFKVSPRHKQ-UHFFFAOYSA-N 436.294 6.369 30 10 IKEE COc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1OC 2324817354 UPKAAZJMMMQPGR-CYBMUJFWSA-N 430.938 5.432 30 10 IKEE Cc1c(OCc2cccc(Oc3ccccc3)c2)ccc2c1OC(=Cc1ccccc1)C2=O 2325349338 VEPJKAMNHKSPGB-UHFFFAOYSA-N 434.491 6.983 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O)Nc1c(F)cccc1F 2325507160 PORSMHNXFUSASO-UHFFFAOYSA-N 441.817 5.252 30 10 IKEE CCCCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(O)cc1 2325530417 SXZCLVBTQRBPBS-UHFFFAOYSA-N 435.380 5.808 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1OC(=O)c1ccc(F)c(F)c1 2325729518 BJZKHIJYDQUSBS-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(F)c(F)c3F)c2)cc1 2325734912 NMXBDJZNBTXEGX-UHFFFAOYSA-N 426.390 5.618 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OC(=O)C12CC3CC(CC(C3)C1)C2 2325735636 VCXAZLGPTHHWJL-UHFFFAOYSA-N 444.571 6.330 30 10 IKEE CCOc1ccc(CC(=O)Oc2cc(C=CC(=O)c3ccc(C)cc3)ccc2OC)cc1 2325737503 VERJMCDNAYLEEE-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SC)n1N=Cc1ccc(C(F)(F)F)cc1 2326422022 NAJNFKBDNSJJCT-UHFFFAOYSA-N 448.470 5.045 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1c(C)n(C)c2ccccc12 2326603461 MZCXROPVDGGCJV-UHFFFAOYSA-N 445.636 6.212 30 10 IKEE CCCSc1nnc(COc2ccc(OCC)cc2)n1N=Cc1ccc(Cl)cc1 2326691322 VUTXRZLUWRGWKJ-UHFFFAOYSA-N 430.961 5.294 30 10 IKEE CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2326867882 MQVGPZDZLQJYAI-UHFFFAOYSA-N 445.976 5.203 30 10 IKEE C=CCSc1nnc(COc2ccc(OC)cc2)n1N=Cc1ccc(Cl)c(Cl)c1 2328403517 VOXNKLHJEDFTQM-UHFFFAOYSA-N 449.363 5.333 30 10 IKEE CCCCCOc1ccc(C=Nn2c(CCc3ccc(OC)cc3)nnc2SC)cc1 2328570327 OGAALDUQJXGFBD-UHFFFAOYSA-N 438.597 5.245 30 10 IKEE Oc1ccc(C=Nn2c(SCCc3ccccc3)nnc2-c2ccccc2Cl)cc1 2329587211 BPYYTDLXVLSYHV-UHFFFAOYSA-N 434.952 5.521 30 10 IKEE CCSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1cc(Br)ccc1F 2330089850 XOMDSMDQWXGQBR-ZDUSSCGKSA-N 433.350 5.326 30 10 IKEE Cc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCc2cccc(Cl)c2)cc1 2330290229 JHEWRUHNOBREDD-UHFFFAOYSA-N 439.028 6.537 30 10 IKEE Cc1ccc(C=Nn2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2cccs2)cc1 2330560140 NPMJDDMYCQNNLB-UHFFFAOYSA-N 435.534 5.398 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(C)c3)cc2OC)cc1 2330881079 MPRDUKVGMYXUFY-UHFFFAOYSA-N 430.500 5.690 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1 2331216065 YYJOEGYWRUZYDY-UHFFFAOYSA-N 430.500 5.583 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)CSc3ccccc3)c([N+](=O)[O-])c2)c(C)c1 2331225314 KYAITAVDLMUZSZ-UHFFFAOYSA-N 447.512 5.805 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)Cc1ccccc1Cl 2331230071 JPFTYOFFBISPNZ-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3OC)cc2OC)cc1 2331376711 KSSZHVNSHXUMBI-UHFFFAOYSA-N 446.499 5.526 30 10 IKEE Cc1ccsc1C(=O)Oc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1Cl 2331414641 VRKQKZCXZMQKLJ-UHFFFAOYSA-N 438.976 7.123 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1cc(C)cc(C)c1 2331430615 NFIRAKNZGRQQNW-UHFFFAOYSA-N 442.555 6.725 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(F)c3)cc2OC)cc1 2331569510 JSLTWWRHQNELDY-UHFFFAOYSA-N 438.426 5.487 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)c1cccs1 2331571099 NVODCWHGBLKPCC-UHFFFAOYSA-N 440.467 5.879 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)c1cc(C)cc(C)c1 2331673139 DXTLGWIRTQVBIN-UHFFFAOYSA-N 444.527 6.053 30 10 IKEE Cc1cnc(C(=O)Oc2ccc(C=CC(=O)c3cc(C(C)(C)C)ccc3C)cc2Cl)cn1 2331792765 NWOJPKQWYROLPZ-UHFFFAOYSA-N 448.950 6.160 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc(Cl)c1OC(=O)C(C)C 2331798511 PNLHEDXKVYCWGD-UHFFFAOYSA-N 442.983 6.802 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(Oc2cc(F)c(Br)cc2Cl)n1 2362179656 HMTXLGYBBVMOEC-UHFFFAOYSA-N 442.521 5.037 30 10 IKEE CC1(C)OB(C=Cc2ccc(Oc3cccc(Br)c3Cl)nc2)OC1(C)C 2365111280 CUFKZIBDRZTOGE-UHFFFAOYSA-N 436.542 5.934 30 10 IKEE NC(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)=N\OC(=O)/C=C\c1ccccc1 33381518 GIGPKEDHIRTCTB-VRHVFUOLSA-N 428.332 5.266 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C/C1=Cc3ccccc3OC1)C2=O)c1ccc(Cl)cc1 33576371 FFTUHMVWENSXFN-FSJBWODESA-N 430.843 5.494 30 10 IKEE C=CCc1ccccc1OCc1nc2ccccc2n1CCCCOc1ccc(C)cc1 39907176 KHOSOFQNYXAMSK-UHFFFAOYSA-N 426.560 6.511 30 10 IKEE O=C1/C(=C/C=C/c2ccccc2)S/C(=N/N=C\c2ccc(O)cc2)N1Cc1ccco1 47137386 HXFADCGQJDCLMI-YWAANZIZSA-N 429.501 5.048 30 10 IKEE C(=N/Nc1nc(SCc2ccccn2)n[nH]1)\c1ccc2ccc3cccc4ccc1c2c34 59310268 XIHOZWRGOVVHFF-MZJWZYIUSA-N 434.528 5.835 30 10 IKEE COc1cc(Cl)c(C)cc1NC(=O)C1CCN(c2c(C#N)cnc3ccc(C)cc23)CC1 64473920 FYKAUHPJXYCUIM-UHFFFAOYSA-N 448.954 5.240 30 10 IKEE C=C(C)COc1ccc(NCC(=O)Nc2cccc(C(=O)N[C@@H](C)c3ccccc3)c2)cc1 66062258 HOUZGIRLMZPWOC-FQEVSTJZSA-N 443.547 5.183 30 10 IKEE C=CCN1C(=O)c2ccccc2N[C@@H]1c1c(OCCCc2ccccc2)ccc2ccccc12 66133160 DKRXKEZYKNODLO-LJAQVGFWSA-N 448.566 6.604 30 10 IKEE O=C1/C(=C\c2ccc(N3CCCCC3)o2)S/C(=N/c2ccccc2)N1Cc1ccccc1 103854150 MMFYTTVLFROKTD-OVEFUCHESA-N 443.572 6.074 30 10 IKEE O=C1/C(=C\C=C/c2ccccc2[N+](=O)[O-])CCCC/C1=C\C=C/c1ccccc1[N+](=O)[O-] 108573642 UVZRGIGWZSLUIN-BNPRWQMMSA-N 430.460 6.226 30 10 IKEE CCOc1cc(/C=N\n2c(Cc3ccccc3)nnc2SC)cc(Cl)c1OC(C)C 169916137 HHOGZSUMIUICTQ-OYKKKHCWSA-N 444.988 5.312 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2OC)c1 169944533 IUQFOLDMSVIYNK-XMMPIXPASA-N 443.499 5.185 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccc(O)cc2)cc1C 169960254 HSXQQKIXGIQJOP-AREMUKBSSA-N 449.506 5.945 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C 169974774 CVNXOKIDNAVYGP-VWLOTQADSA-N 439.555 6.384 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2C2CCCCC2)c1 170039078 CLXLKBSWVCNRPX-QHCPKHFHSA-N 435.520 5.005 30 10 IKEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc(Cl)cc1)c1ccc2ccccc2c1 170058464 UXQCCKFLTXYNGG-FYYLOGMGSA-N 447.918 5.251 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1 170063207 NMYLBGUULXVUDJ-HXUWFJFHSA-N 425.818 5.401 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2ccc(F)cc2)cc1 170064259 AZXSHCBSPONLPX-JOCHJYFZSA-N 437.417 5.449 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1cccc(O)c1 170081540 SGLYHACSFUVLDY-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cn(C)c3ccccc23)c1 170083934 XYDJZRJGYVZZPD-VWLOTQADSA-N 436.511 5.578 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccccc2C)ccc1F 170088200 DMFZMRGURFAWLV-QFIPXVFZSA-N 437.417 5.504 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2cccnc2)c1 170187470 DYWIGZOVYCIAAC-DEOSSOPVSA-N 442.515 5.269 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccnc2)cc1C 170194322 RNFMUEGWRNGMNU-QHCPKHFHSA-N 434.536 5.090 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(C(C)C)cc1 170244732 MOXRDDZDENZWPG-VWLOTQADSA-N 443.543 5.578 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccccc1F)c1cc2cc(Cl)ccc2o1 170253692 ONYMCCROBVMMRG-OAQYLSRUSA-N 439.870 5.746 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cccc(O)c1 170264172 IGDUVPAGHCRDJP-QHCPKHFHSA-N 449.547 5.219 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cc(C)cc(C)c3OC)=C(O)C(=O)N2Cc2ccco2)cc1 170266253 KOIKZFCOVAYJET-HSZRJFAPSA-N 445.515 5.246 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccccc2C)cc1 170272434 XPGWDWZAQZSFTQ-SANMLTNESA-N 437.539 5.965 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1c1ccccc1C 170273033 KZBZEIDAELXDEP-VWLOTQADSA-N 441.527 5.874 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2sccc2C)c1 170314393 FVAXGYSGBMLSKC-QFIPXVFZSA-N 445.540 5.473 30 10 IKEE CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccccc2C)cc1 170398493 GNEYRBGIIVZDTN-OAQYLSRUSA-N 447.512 5.016 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Nc3ccccc3)cc2)[C@@H]1c1ccco1)c1ccncc1 170400536 RGRVFOQNCRAXMP-HSZRJFAPSA-N 437.455 5.201 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 170421668 AVJLJGLSSYBGFH-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE N#Cc1c(Br)cccc1Nc1c(Br)cccc1Br 232130080 SUZHBTFWCWRZGP-UHFFFAOYSA-N 430.925 5.589 30 10 IKEE Cc1ccc(N=C2SCCCN2C(=O)C2c3ccccc3Oc3ccccc32)cc1Cl 254668036 LKHMTSPNEWTBPV-UHFFFAOYSA-N 448.975 6.539 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1c(F)ccc(Br)c1F)NCC 407324255 DPKHOKITEKVDQI-IRXDYDNUSA-N 447.364 5.107 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccc(O)c(OC)c1 526809088 XHRVQGNPKXZDFC-QRVIBDJDSA-N 430.961 5.163 30 10 IKEE N#Cc1ccc(CN(c2ccccc2F)S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 586241109 KRWXWHMOQPOXSQ-UHFFFAOYSA-N 435.307 5.400 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1cc2cscc2s1 693967608 AUSIEXRJSSRXFT-OAHLLOKOSA-N 449.395 6.732 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H]1CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CC1 698876942 JWAIXVMPJZMMRK-IECBHUPTSA-N 433.593 5.238 30 10 IKEE CCc1ccccc1N=C1S/C(=C\c2ccccc2O)C(=O)N1c1ccccc1CC 1082990452 SHSNUAACVIOKOU-SIFMURAYSA-N 428.557 6.326 30 10 IKEE C(=NNc1nc(SCc2nc3ccccc3[nH]2)n[nH]1)c1cccc(Oc2ccccc2)c1 1084122054 SCKHEZNHACAFPL-UHFFFAOYSA-N 441.520 5.212 30 10 IKEE C(=NNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)c1cccc2ccccc12 1084434042 DAMCVOWUYMLPHB-UHFFFAOYSA-N 431.503 5.958 30 10 IKEE O=C1/C(=C\c2c(Cl)cccc2Cl)SC(=Nc2ccccn2)N1c1ccccc1 1772732647 YKHJNXWBXUUUBF-MRKXPFMVSA-N 426.328 6.197 30 10 IKEE N#Cc1ccccc1S(=O)(=O)Nc1ccc(Nc2ccccc2Oc2ccccc2)nc1 1858437543 FFWMDSCAOFWIJI-UHFFFAOYSA-N 442.500 5.290 30 10 IKEE N#Cc1ccc(COc2cccnc2NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 1858865269 ARAZXPZTUYKGOA-UHFFFAOYSA-N 446.816 5.848 30 10 IKEE CCOc1ccc(/C=C/C(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1OC 1860729623 LZLVYPSPDPSUAV-GQCTYLIASA-N 428.699 5.275 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccccc1Cl)c1ccc(F)cc1F 1862417781 ZWKHAQTUVSUVSB-OAQYLSRUSA-N 445.893 5.919 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2[C@H](C)CC)cc1 1862461360 CVKCGLFQLKRJDB-ASSNKEHSSA-N 447.453 5.270 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccccc2)cc1 1862515026 ONSMCZARXNRKEJ-ANJVHQHFSA-N 433.548 5.632 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2cccc(O)c2)cc1 1862534167 RBCMGVKDKKLBOI-BXKMTCNYSA-N 427.500 5.294 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2ccc(OC)cc2)cc1 1862535757 KBUKPVUTSYWKBK-VWLOTQADSA-N 441.527 5.345 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2ccc(Cl)cc2Cl)cc1 1862538255 FAZNFELXIPKKKQ-ZUOKHONESA-N 432.347 5.933 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1ccc(C(C)C)cc1 1862640252 MJKXWKKKQSRQSG-IVZQSRNASA-N 425.500 5.335 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1cccc(OCCC)c1 1862644260 HBTWXBOFQZHQRT-JOCHJYFZSA-N 441.499 5.002 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@H]1c1ccccc1)c1cccc2ccccc12 1862648646 HGAPHMFYKNOIFR-DEOSSOPVSA-N 439.536 5.722 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2Cc2ccccc2)cc1 1862653516 QXTQHXLAKZQAAT-AREMUKBSSA-N 449.506 5.627 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CCCCCC2)c1 1862662686 KWLUAPJUDBWYAG-RUZDIDTESA-N 447.575 6.120 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccc(F)cc2)cc1 1862663382 SXXGNFHXESUXFQ-HSZRJFAPSA-N 430.479 5.123 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 1862668806 HZGDKMIOIOVDTA-FQEVSTJZSA-N 429.438 5.570 30 10 IKEE CCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1 1862674127 JVPJDQSVDNFGDL-XMMPIXPASA-N 437.555 6.545 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2ccc(Cl)cc2)cc1 1862689408 QBNZGQCTIAYTIV-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2ccc(Cl)cc2)c1 1862701245 ZADBEXXGPQZXAS-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2[C@H](C)CC)c1 1862720462 WQKHIWFMUJSDGS-CJAUYULYSA-N 443.543 6.005 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(Cl)cc1 1862725901 UTOQBVIGCZAQJW-XMMPIXPASA-N 445.946 6.241 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccccc3F)C2=O)cc1 1862920004 CBJIEBCNYSPUSS-UHFFFAOYSA-N 439.490 5.391 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(OCCCC)cc2)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863287457 WYYVHQMLIDEINJ-UHFFFAOYSA-N 445.346 5.550 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@H](C)CC)=C(c2ccccc2[N+](=O)[O-])C1=O 1863593794 OUADDDNYLNELEV-GOSISDBHSA-N 429.561 5.204 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)c2cc3ccc(Cl)cc3s2)c1 1866263322 ZJMCKYPZRMQABN-UHFFFAOYSA-N 430.916 6.218 30 10 IKEE CC[C@](C)(NC(=O)C[C@@H](c1ccc(Cl)cc1)C(C)C)C(=O)Nc1ccccc1C#N 1866754392 HXZBQCKJWMFZHT-YKSBVNFPSA-N 425.960 5.265 30 10 IKEE Cc1ccc([C@H](C(=O)N[C@H](C(=O)Nc2ccccc2C#N)c2ccccc2)C(C)C)cc1 1866958824 BEZXGGNOAOHHLT-RPBOFIJWSA-N 425.532 5.103 30 10 IKEE CC[C@H](NC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866989867 FVJNSQVVTBKVNC-VQTJNVASSA-N 432.351 5.138 30 10 IKEE CC[C@@H]1Cc2cc(OC)ccc2N(c2cc(Nc3ccccc3C#N)nc(CCOC)n2)C1 1868262260 PHFRCHUERHZTGH-GOSISDBHSA-N 443.551 5.010 30 10 IKEE C[C@@H]1Cc2ccccc2N(c2cc(Nc3ccccc3C#N)nc(-c3ccc(F)cc3)n2)C1 1868463184 NWRKHMOWXNZYCA-GOSISDBHSA-N 435.506 6.228 30 10 IKEE C=CCn1cc(OCc2c(C)cccc2C)c(=O)cc1CSc1ccc(Cl)cc1 1870278884 VIXPLCACWGXORO-UHFFFAOYSA-N 425.981 6.176 30 10 IKEE C=CCn1cc(OCCCCOc2cccc(C)c2)c(=O)cc1CN(C)Cc1ccccc1 1870315675 OMMQCSAMQPTQNC-UHFFFAOYSA-N 446.591 5.213 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCCCCCC)cn1CCc1ccc(C)cc1 1870413307 ZIUZLLNQNLKKQN-UHFFFAOYSA-N 436.640 5.923 30 10 IKEE C=CCn1cc(OCc2c(C)cc(C)cc2C)c(=O)cc1CNc1ccc(OC)cc1C 1870802796 KHMDOFIZRYRFSY-UHFFFAOYSA-N 432.564 5.468 30 10 IKEE CCCCCCCOc1cn(CCCCCCO)c(CNc2cccc(F)c2)cc1=O 1870839746 XIPQAZSSAHOORR-UHFFFAOYSA-N 432.580 5.501 30 10 IKEE CCOc1ccc(CC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1 1871374597 SPJPVUGAXIZLHR-IWIPYMOSSA-N 428.484 5.466 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(-n5cccc5)cc4)cc(C)c3C2=O)o1 1871383479 CFHKRQUCBCCQHP-UCQKPKSFSA-N 425.440 5.523 30 10 IKEE O=C1/C(=C/c2ccc(F)cc2)Oc2c1ccc(O)c2CN1CCC(Cc2ccccc2)CC1 1871395127 HGCUVICGFVHYND-ONUIUJJFSA-N 443.518 5.602 30 10 IKEE O=C1/C(=C/c2cccnc2)Oc2c1ccc(O)c2CN(Cc1ccccc1)Cc1ccccc1 1871396393 CYJMDBJQDOJAOF-YUMHPJSZSA-N 448.522 5.606 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O 1871413631 LULFLYUDQUFVGO-GGNAWJQTSA-N 433.891 5.671 30 10 IKEE Cc1c(OCCOc2ccc(Cl)cc2)ccc2c1O/C(=C\c1cccc(Cl)c1)C2=O 1871414488 KAYAPUGCADLMNP-HMAPJEAMSA-N 441.310 6.376 30 10 IKEE CCCCCCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 1871421456 FPJKAGQRZXHAGT-BKUYFWCQSA-N 439.464 5.022 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3nc4ccccc4s3)ccc2C1=O 1871443066 YGFBTDXQKKCCQA-MTJSOVHGSA-N 442.496 5.238 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OCC(=O)Nc3ccccc3C(C)C)c2C)C1=O 1871455925 CRINCNNCSLHNAT-MYYYXRDXSA-N 441.527 6.061 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1cccc(Cl)c1)C2=O 1871458551 BYVWOPIGFDFDIE-UCQKPKSFSA-N 447.918 5.845 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2Cl)C3=O)c1 1871460236 BJAQYSKZAKSFDN-QRVIBDJDSA-N 447.918 5.899 30 10 IKEE CCCCCCCCCCN=c1nc(N(C)Cc2ccccc2)[nH]c(=Nc2ccccc2)[nH]1 1871601415 GBMXTNRJDSRMEJ-UHFFFAOYSA-N 446.643 5.648 30 10 IKEE C=CCN(CC=C)c1nc(=NCC(C)C)nc(Nc2ccc(-c3ccccc3C)cc2)[nH]1 1871637420 WDNHVFKQVTZKSU-UHFFFAOYSA-N 428.584 5.259 30 10 IKEE C=CCN([C@H](CCC)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872444322 BELSQANJEKZYGC-HSZRJFAPSA-N 442.625 5.411 30 10 IKEE CC(C)c1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 1872760876 ZSXPPHFPOMYESK-WXQAMHPUSA-N 426.585 6.702 30 10 IKEE CCc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872762831 XPJRUUBPEYDUFD-MRXNPFEDSA-N 431.344 5.935 30 10 IKEE COc1ccccc1-c1csc([C@@H](C#N)C(=O)/C(=C\c2ccccc2)c2ccccc2)n1 1872763366 KLTMDZUZLXKBQZ-AEUZFIIDSA-N 436.536 6.236 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1 1872767911 DQWCUJMUHIMYJU-OAHLLOKOSA-N 427.869 5.260 30 10 IKEE CCc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 1872773785 YGHGBUGMSUKIFD-IBGZPJMESA-N 434.517 5.137 30 10 IKEE COc1c(Cl)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)Cc2ccc(C)cc2)n1 1872778362 JTWWGNLFFSQMNQ-MRXNPFEDSA-N 431.344 5.853 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)s3)n2)c1 1872780250 DIEHVRBKYRBZOB-CQSZACIVSA-N 432.954 5.812 30 10 IKEE COc1ccc(C(=O)[C@H](C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1 1872785016 CLMXLBSBBDYJKG-AWEZNQCLSA-N 433.316 5.624 30 10 IKEE COc1cc(OC)cc(C(=O)[C@@H](C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)c1 1872785583 QJNRZBFOQWVSJN-OAQYLSRUSA-N 434.561 5.923 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc(CSCc2nc3ccccc3[nH]2)cc1 1872893851 YWMNDAYSNWYUQF-UHFFFAOYSA-N 437.653 6.867 30 10 IKEE C=CCN1C(=O)C(NC2CCCCCCCCCCC2)=C(c2cccc3ccccc23)C1=O 1873026495 FHURXSWPYZUBGN-UHFFFAOYSA-N 444.619 6.369 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H]2CCCC[C@@H]2C)=C(c2ccccc2[N+](=O)[O-])C1=O 1873139839 GEHBPFUHSCSURJ-ICSRJNTNSA-N 441.572 5.204 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1cccc(C)c1)n2CCOC 1873621176 JBXNFPCEDRELFN-UHFFFAOYSA-N 437.588 5.411 30 10 IKEE Cc1cc(=O)c2cccc(F)c2n1CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1874180724 MVCOUFMZTGIXQP-UHFFFAOYSA-N 446.322 5.125 30 10 IKEE C=CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1ccccc1C 1874203089 KPTIHDGOMIKCTP-WGOQTCKBSA-N 434.609 5.932 30 10 IKEE CCCSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1ccccc1F 1874226688 XIRROVZWKDRZPE-PCLIKHOPSA-N 426.561 5.430 30 10 IKEE Clc1ccc(OCc2nnc(SCCc3ccccc3)n2/N=C/c2ccc[nH]2)cc1 1874264817 BXQJLUFZWLQJCH-MFKUBSTISA-N 437.956 5.056 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccccc1 1874299095 IGIRVDNMLLZFMZ-JFLMPSFJSA-N 446.551 5.788 30 10 IKEE CCCSc1nnc(CCc2ccccc2)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874404847 RVOHOTQKQPVMQR-KOEQRZSOSA-N 438.597 5.243 30 10 IKEE Cc1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2ccc([N+](=O)[O-])cc2)cc1 1874420194 GEGZUWGRVCLLHA-LPYMAVHISA-N 435.534 5.398 30 10 IKEE Cc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCC(=O)Nc2c(C)cccc2C)cc1 1874438509 ZHJOPAALMHSDEO-CVKSISIWSA-N 449.624 5.405 30 10 IKEE CC(C)(C)Cc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccccc1 1874440230 PUVHXGCEIVQAIT-ZMOGYAJESA-N 433.408 6.348 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc(O)cc1O 1874440295 SLZZIOSWCDPHFA-FSJBWODESA-N 430.961 5.106 30 10 IKEE CC(C)(C)Cc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1cccc(O)c1 1874440360 WWWFHMMTSQPDFY-WYMPLXKRSA-N 449.407 6.054 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CCCC2)cc1 1874457219 GVGVZFIUAAEMFD-ZVHZXABRSA-N 426.973 5.772 30 10 IKEE CCOc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2-c2ccco2)cc1OC 1874467861 FZONDYUCNBEOPT-KOEQRZSOSA-N 448.548 5.162 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(CC(C)C)n2/N=C/c2ccc(Cl)cc2)o1 1874488448 XLLGIYFDWZJREG-FSJBWODESA-N 446.960 5.074 30 10 IKEE Cc1ccsc1/C=N/n1c(CC(C)C)nnc1SCc1c(Cl)cccc1Cl 1874490400 OQLRAFPMCRFMKE-LSHDLFTRSA-N 439.437 6.328 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2C(C)C)cc1 1874512455 YOKFQXGNXUYUPT-YZSQISJMSA-N 436.625 6.453 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1/N=C/c1ccncc1 1874541847 UUQNUJAVPSGKLP-ZVHZXABRSA-N 448.379 5.152 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c1OCc1ccc(F)cc1 1874569603 ALCKTNNAXWPZII-KNTRCKAVSA-N 438.498 6.976 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCc3cccc(F)c3)ccc3ccccc23)cc1OC 1874573163 YSGRHBLNANAJQP-OUKQBFOZSA-N 442.486 6.471 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Cl)ccc1OCC(=O)N[C@H](C)c1ccccc1 1874576821 HUGFDOWVMPOKTO-QIXNEVBVSA-N 449.934 5.501 30 10 IKEE Cc1ccc(C(=O)/C=C/c2c(OCC(=O)Nc3c(C)cccc3C)ccc3ccccc23)cc1 1874579390 LBRFTFAKBPHIDM-WUKNDPDISA-N 449.550 6.679 30 10 IKEE CCOC(=O)c1ccc(COc2c(/C=C/C(=O)c3ccc(C)c(C)c3)cccc2OC)o1 1874587851 IAECZSJEHWSRJU-ACCUITESSA-N 434.488 5.557 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cccc(OC)c1OCc1cccc(F)c1 1874588924 LMKMDMGIBUPLNR-ZHACJKMWSA-N 440.898 6.280 30 10 IKEE CCc1ccc(NC(=O)COc2cccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 1874593235 YWENLYWJDNXHEM-SDNWHVSQSA-N 430.460 5.071 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1OCc1c(F)cccc1Cl 1874596361 UEVXXSQJZYFTQM-CSKARUKUSA-N 440.898 6.280 30 10 IKEE CCCCCCCCC(=O)Nc1cccc(C(=O)CCN(CCO)Cc2ccccc2)c1 1874728982 XTUORNOLNLPDDV-UHFFFAOYSA-N 438.612 5.443 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC(=O)C1CC1 1875083014 ZKONHQTZNJMRNV-LICLKQGHSA-N 438.523 6.302 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(Br)c2)cc(OC)c1OC(=O)CCC 1875117584 RBJPXZTYTNMXSZ-VAWYXSNFSA-N 443.337 5.788 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)c1cccs1 1875120126 CRQARUVKTLIJID-QPJJXVBHSA-N 434.847 5.804 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3OC)cc2OC)cc1 1875120161 FLOLXNVIRULVGU-XNTDXEJSSA-N 446.499 5.147 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3F)c(OC)c2)cc1 1875139118 RRZQBMHVUAGIQR-RIYZIHGNSA-N 448.490 5.667 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)C3CCCC3)c(OC)c2)c(OCC)c1 1875179416 JGFSASXRXHWFGO-GXDHUFHOSA-N 438.520 5.484 30 10 IKEE O=C(Cc1ccccc1F)Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1 1875191656 XPDGWOBKRAYXNA-KPKJPENVSA-N 429.274 6.177 30 10 IKEE CCCCCCCCC[C@H](N)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875688919 ZPLMTRNKNSGVCC-NDEPHWFRSA-N 445.647 7.985 30 10 IKEE CC(C)N(CC#CCNC(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)C(C)C 1891098584 UJBVSYZMLGHSTM-UHFFFAOYSA-N 432.486 5.350 30 10 IKEE C=C([C@@H](NCC)c1ccc(I)c(Br)c1)[Si](C)(C)C 1923046052 NLCCJWRMOKRHLP-CQSZACIVSA-N 438.223 5.138 30 10 IKEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@H](C#N)c1cc(Cl)cc(Br)c1 1940927996 CSULUAKYOGJEAG-GFCCVEGCSA-N 427.648 5.467 30 10 IKEE C=C([C@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)C(C)(C)C 1947455837 VPZYXSHZKNOVAN-NVQXNPDNSA-N 429.649 5.126 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@](C#N)(N(C(=O)OC(C)(C)C)c1cccc(Cl)c1)C2 1950026204 MZEOOHPCSHSDQR-FMKFIRIRSA-N 447.963 5.373 30 10 IKEE CC1(C)CC[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)[C@@H](OCc2ccccc2)C1 1953558575 RXLUPAVHYZEROX-RBJSKKJNSA-N 448.607 6.482 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@](C#N)(N(C(=O)OC(C)(C)C)C3CCCC3)C[C@]2(C)C1 2005134819 KXKFCCPLJCMMFV-VWMXVWASSA-N 433.593 5.095 30 10 IKEE C=CCCCC[C@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2009485668 XSDWDLFDNAQRCC-OZXSUGGESA-N 429.649 5.270 30 10 IKEE CCCN(C(=O)OC(C)(C)C)C1(C#N)CC2(C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)C1 2012874108 WTSUXJLMHCPAEX-ISVJADKWSA-N 433.593 5.238 30 10 IKEE C=CCCCCCCCC[C@@H](CN(Cc1ccccc1)C(=O)OC(C)(C)C)NCCC 2026310664 SKBGFKRPTXNTLK-VWLOTQADSA-N 430.677 7.099 30 10 IKEE Cc1cccc(N=C2NC(=O)C(=Cc3c(C)nn(-c4cc(C)ccc4C)c3Cl)S2)c1 2040445954 BBAAQSDNGXTPAX-UHFFFAOYSA-N 436.968 5.651 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2076325113 ICUGGMFFGCOQFG-KBMIEXCESA-N 449.636 5.876 30 10 IKEE CCc1ccc([C@@H](C(C)C)n2nc(C3CCC3)c(C#N)c2I)cc1 2079081897 XFBHUGLIGVYLIL-LJQANCHMSA-N 433.337 5.435 30 10 IKEE C[C@H](Nc1ccc(C#N)c(Br)c1F)c1csc(NC(=O)OC(C)(C)C)n1 2114324717 MULPTGVWJKFURL-VIFPVBQESA-N 441.326 5.436 30 10 IKEE CCc1ccc(C#N)c(Nc2cc(I)ccc2Br)c1 2132317606 LJUSAPHFTFISLW-UHFFFAOYSA-N 427.083 5.231 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)C1(C#N)C[C@@H]2CC(F)(F)C[C@H]2C1 2160230401 MYBFGHRJRLBLTA-ZIAGYGMSSA-N 441.316 5.908 30 10 IKEE CC(C)(C)OC(=O)NC(C)(C)c1ccc(Nc2ccc(C#N)cc2Br)cc1 2162294707 BFBUFDCLZQITIH-UHFFFAOYSA-N 430.346 5.824 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H](CNc2cc(Br)ccc2C#N)C1 2162332960 IFJABPGQDCGZAF-MRXNPFEDSA-N 434.378 5.160 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCC[C@@H]2Nc2cc(Br)ccc2C#N)CC1 2162397238 GBVNBOJIGZNNPP-SFHVURJKSA-N 434.378 5.302 30 10 IKEE COc1cc(Nc2cccc(Br)c2C#N)ccc1CNC(=O)OC(C)(C)C 2192917810 HIHLBJCZOTUJMW-UHFFFAOYSA-N 432.318 5.098 30 10 IKEE C=CCC1([C@@H](NCC)c2cc(Cl)c(Cl)cc2Cl)CN(C(=O)OC(C)(C)C)C1 2201282085 VJUGBIKUIZZDSD-KRWDZBQOSA-N 433.807 6.111 30 10 IKEE CCCCCCCCC[C@H](CO)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2235390066 YBYBLFIPULNEKE-HXUWFJFHSA-N 442.438 6.692 30 10 IKEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CSc1cc(Br)cc(F)c1C#N 2260369057 SDXQTCRZWXRMMH-NHYWBVRUSA-N 429.355 5.197 30 10 IKEE C=C(C)[C@@H](OCCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2261609248 PYDDAHRFWZYQEA-HHHXNRCGSA-N 432.516 5.953 30 10 IKEE O=C(C#Cc1ccc(Br)cc1)c1csc(Br)c1Br 2264174264 UWBKGVGRORKNEH-UHFFFAOYSA-N 448.961 5.270 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)cc(C(C)C)c1 2265993660 ZEFSEKFIWBQMLZ-RBUKOAKNSA-N 425.411 5.693 30 10 IKEE Cc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)[C@H](C)C(C)C 2270443755 DHOXEHKXGCUZED-LJQANCHMSA-N 439.380 5.120 30 10 IKEE CCOc1ccc2ccccc2c1C=C1SC(=Nc2cccc(C(F)(F)F)c2)NC1=O 2295499485 VNVBIXCRPPKJLE-UHFFFAOYSA-N 442.462 6.149 30 10 IKEE CC(C)[C@@H](CCNC(=O)OC(C)(C)C)CC[C@H](N)C#Cc1cccc(Br)c1 2296215881 FLFWSWHOCPYEJO-UYAOXDASSA-N 437.422 5.095 30 10 IKEE O=[N+]([O-])C(C=Nc1cccc(Br)c1)=CNc1cccc(Br)c1 2296376901 UENBASIZYBEXNQ-UHFFFAOYSA-N 425.080 5.144 30 10 IKEE CCCN(CCC)Cc1c(O)ccc2c1OC(=Cc1cn(CC)c3ccc(OC)cc13)C2=O 2296601271 YQNUFVWNSQQJSQ-UHFFFAOYSA-N 448.563 5.614 30 10 IKEE Cc1ccc([C@H]2C(=C(O)c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc1 2296926924 CTHXWBFZDBUQQK-IBGZPJMESA-N 438.936 5.348 30 10 IKEE CC1=CC(C)(C)NC(=S)N1c1ccc(C(=O)C=Cc2ccc(Cl)cc2Cl)cc1 2297322333 CSDFWDDSRJQBNW-UHFFFAOYSA-N 431.388 6.266 30 10 IKEE O=C1ON=C(c2ccccc2)C1=Cc1ccc(OC(=O)c2ccccc2Br)cc1 2297576876 OIGMGGFEPVJKJE-UHFFFAOYSA-N 448.272 5.013 30 10 IKEE C=CCn1c(SCC(=O)OCC=Cc2ccccc2)nnc1-c1ccc2ccccc2c1 2314006454 XAPHJKLDVAWBMU-UHFFFAOYSA-N 441.556 5.633 30 10 IKEE COc1ccc(C=CC(=O)Nc2sc(=S)c3c(c2C#N)CC[C@@H](C)C3)c(OC)c1 2314793611 VESHYIXGUZTNJB-CYBMUJFWSA-N 426.563 5.143 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)CC(C#N)(N(C(=O)OC(C)(C)C)c1ccccc1)C2 2316035445 MLSOOURKAJXMLH-OOEJVQDLSA-N 441.572 5.357 30 10 IKEE COc1cc(C=NNc2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)c(Cl)c1 2318413703 SRNODJXAQDYCTP-UHFFFAOYSA-N 429.347 6.644 30 10 IKEE O=[N+]([O-])c1cccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccccc2)c1 2318574416 KFFMZRHETTYSCX-UHFFFAOYSA-N 443.532 5.146 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CC)nnc1SCc1c(F)cccc1Cl 2321061683 OONHLILEHSEXIE-UHFFFAOYSA-N 430.936 5.372 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OCc4ccccc4Cl)cc(C)c3C2=O)cc1 2321762329 DVWBBKNJGYTSKJ-UHFFFAOYSA-N 447.962 6.690 30 10 IKEE CCCCCCCCCCN1COc2ccc3c(c2C1)OC(=CC=Cc1ccccc1)C3=O 2322131502 VDNOLMVMDSHABC-UHFFFAOYSA-N 445.603 7.152 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(S)nnc1COc1ccc(Cl)cc1Cl 2322260174 NUHWVABZYDHYMD-UHFFFAOYSA-N 437.352 5.122 30 10 IKEE CCOc1ccc(C=C2Oc3c(cc4c(c3C)OCN([C@@H](C)c3ccccc3)C4)C2=O)cc1 2322371335 YABGYVOMNFDDEF-IBGZPJMESA-N 441.527 5.923 30 10 IKEE COc1cccc(C(=O)C=Cc2cccc(OC)c2OCc2ccc(Cl)cc2Cl)c1 2322377409 DEMPPYSNTBWCCK-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2C)C3=O)c1 2322806878 DJRKZXHSHPUVKZ-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O)c1cc2cc(Cl)ccc2o1 2322844888 KQNHFKGXZBWZRL-UHFFFAOYSA-N 434.806 6.061 30 10 IKEE Cc1c(OC(=O)c2cc3cc(Cl)ccc3o2)ccc2c1OC(=Cc1ccc(F)cc1)C2=O 2322847270 QRHKDIUUEPCCTD-UHFFFAOYSA-N 448.833 6.369 30 10 IKEE Cc1cc(OC(=O)Cc2ccccc2)cc2c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O2 2322884730 DKYZRACYADJJLW-UHFFFAOYSA-N 439.294 6.066 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1OCCc1ccccc1 2323081440 QDORYBRRAYZEPU-UHFFFAOYSA-N 437.333 5.975 30 10 IKEE C=CCOc1c(OC)ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)c1Br 2323190385 UYGVSNASPKOCGI-UHFFFAOYSA-N 429.354 6.216 30 10 IKEE C=C(C)COc1c(OC)ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)c1Br 2323190426 YYZMDNGPZMAZBJ-UHFFFAOYSA-N 443.381 6.606 30 10 IKEE CCCOc1c(Br)cc(C=CC(=O)c2ccc3ccccc3c2)cc1OCC 2323404448 MFRYCIGQRRBTJV-UHFFFAOYSA-N 439.349 6.686 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OCc1cccc(C)c1 2323421371 BNCDDKDEZIXXGS-UHFFFAOYSA-N 442.555 6.366 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1)Nc1ccc(F)cc1 2323511716 IAWVCTWBIXFZAD-UHFFFAOYSA-N 444.289 6.046 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2Cl)cc(OC)c1OCC(=O)N(CC)CC 2323626957 LWEVNGQQKRUNOD-UHFFFAOYSA-N 441.955 5.220 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OCC(=O)NC1CCCCC1 2323815972 HMZSGCPVIHPMFK-UHFFFAOYSA-N 433.548 5.148 30 10 IKEE CCN(CC)C(=O)COc1c(Cl)cc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OC 2324154297 HRRGZRORBJNUIC-UHFFFAOYSA-N 443.971 5.615 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OCc3nc(O)c4ccccc4n3)cc2)c1C 2324332831 RSPRMEKSLCBAAG-UHFFFAOYSA-N 438.527 6.044 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OCc1cccc(C)c1 2324335580 MNEFORCPVDZVMO-UHFFFAOYSA-N 444.571 6.721 30 10 IKEE CCc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccc(CC)cc4)ccc3C2=O)cc1 2324478100 RRSKFLKPVKMYQD-GOSISDBHSA-N 441.527 5.834 30 10 IKEE Cc1ccc(OCCOc2ccc3c(c2)OC(=Cc2cn(C)c4ccccc24)C3=O)cc1 2324538418 GXBNZIVSFZSHNU-UHFFFAOYSA-N 425.484 5.561 30 10 IKEE CC(C)(C)c1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc([N+](=O)[O-])cc3)n2)cc1 2324612215 QYJKDUUQZCLHFA-HXUWFJFHSA-N 431.517 5.905 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(Cl)cc1Cl 2325512651 WOANRFDXWXPCQJ-UHFFFAOYSA-N 437.371 6.241 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccc(Cl)cc1Cl 2325512670 ACMVNJGZJDESFL-UHFFFAOYSA-N 433.408 6.410 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccccc1OC 2325559093 IYCXCMSGHMVUSC-UHFFFAOYSA-N 435.380 5.721 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OCC(=O)Nc3ccc(F)c(Cl)c3)ccc2C1=O 2325592845 WXHZNDSWOCJGOW-UHFFFAOYSA-N 443.883 5.483 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCCc4ccc(OC)cc4)cc(C)c3C2=O)cc1 2325631834 NKNWWGLWOWCRAK-UHFFFAOYSA-N 430.500 5.640 30 10 IKEE COc1ccccc1CC(=O)Oc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC 2325741124 LUUIFGGEZAAWKQ-UHFFFAOYSA-N 434.463 5.196 30 10 IKEE Cc1cc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc(C(C)C)cc3)c2)ccc1Cl 2325750628 INLCNDWFBLJWLA-UHFFFAOYSA-N 448.946 6.652 30 10 IKEE Cc1ccc(COc2ccccc2C=Nn2cnnc2SCc2ccc(F)cc2)cc1 2326234360 XUOMJFRDQAQINM-UHFFFAOYSA-N 432.524 5.479 30 10 IKEE CSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccc(Cl)cc1Cl 2327238951 VAHLDDCLKWOXKT-UHFFFAOYSA-N 435.380 5.693 30 10 IKEE Cc1cccc(CSc2nnc(CCCOc3ccccc3)n2N=Cc2ccncc2)c1 2328723929 YDJMMYXSDXVMJC-UHFFFAOYSA-N 443.576 5.168 30 10 IKEE Cc1cccc(C=Nn2c(CCOc3ccccc3)nnc2SCc2ccccc2)c1 2329190010 AONZPFIUVKGBCV-UHFFFAOYSA-N 428.561 5.383 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCOc3ccccc3)n2N=Cc2cccn2C)c1 2329200205 WJIVCWHIAUZOPV-UHFFFAOYSA-N 445.592 5.029 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3C)n2N=Cc2ccncc2)c1 2329488496 RQNAHFSVMBFILS-UHFFFAOYSA-N 441.604 5.558 30 10 IKEE C=CCSc1nnc(-c2ccccc2Cl)n1N=Cc1cc(Br)ccc1O 2329590672 RYMJPMNLHODJDH-UHFFFAOYSA-N 449.761 5.227 30 10 IKEE Cc1cccc(C=Nn2c(Cc3ccccc3F)nnc2SCc2ccc(F)cc2)c1 2329710950 FDOREKBSZPPCPE-UHFFFAOYSA-N 434.515 5.630 30 10 IKEE Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1N=Cc1sccc1C 2330651584 SMOBFIAEJKGWKO-UHFFFAOYSA-N 447.589 5.236 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1 2330651806 ZCXCMTAJIHWMND-UHFFFAOYSA-N 438.479 5.972 30 10 IKEE CCOc1cc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccccc2F)ccc1O 2330844890 OPNGZNZJBLRQEL-UHFFFAOYSA-N 442.560 5.285 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2ccc(C)cc2)nnc1[C@H]1CCCO1 2330889719 VRBCYDFAOGRMQV-JOCHJYFZSA-N 436.581 5.401 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3ccc(F)cc3)nnc2[C@@H]2CCCO2)c1 2330910502 NMNYQNNXGGGJAH-NRFANRHFSA-N 440.544 5.232 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2[C@H]2CCCO2)cc1 2330961202 DFDAXXQMLSXKHC-JOCHJYFZSA-N 436.581 5.320 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl 2331025505 CJNNWGDZXQOTSA-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SCc3ccccc3)nnc2-c2ccco2)cc1 2331205288 ZOALKMRABOYIHV-UHFFFAOYSA-N 446.576 6.282 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Br)c(OC(C)=O)c(OCC)c2)cc1 2331208436 LJOMFYHBNYXRJA-UHFFFAOYSA-N 433.298 5.068 30 10 IKEE COCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(C(C)(C)C)cc1 2331306305 VGXMNKFMSRYOQA-UHFFFAOYSA-N 443.016 5.592 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1N=Cc1c[nH]c2ccccc12 2331327397 BGJAVIQZVIBKDP-UHFFFAOYSA-N 446.580 5.023 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)c1ccccc1F 2331328992 LVSSLYJDMUQLIC-UHFFFAOYSA-N 444.502 6.295 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)[C@@H](C)c1ccccc1 2331408236 LOOMSDBAIKXVNO-SFHVURJKSA-N 444.483 5.072 30 10 IKEE Cc1ccc(O)c(C=Nn2c(CC(C)C)nnc2SCc2c(F)cccc2Cl)c1 2331478347 ASTUHCVJWNFTTB-UHFFFAOYSA-N 432.952 5.458 30 10 IKEE COCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1c(Cl)cccc1Cl 2331595686 CZKZQCQZJAWDFC-UHFFFAOYSA-N 441.771 5.559 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)C2CCC2)c(Cl)c1 2331636769 ZWOKPLGEBCSLLR-UHFFFAOYSA-N 439.722 6.257 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1ccc(F)cc1F 2331711560 BSNLSRODNKJRAD-UHFFFAOYSA-N 436.454 6.096 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc(C)cc(C)c3)c(OC)c2)c(OC)c1 2331729984 IJRRPUUHXHOIII-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)c(C)c3)c(OC)c2)c(OC)c1 2331730139 URJGHFHRMWNZFD-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OC(=O)CCc2ccccc2C)cc1 2331741425 UIJMPBHOFQDDCV-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3cccc(F)c3)c([N+](=O)[O-])c2)c(C)c1 2331769773 RRTWERJLXNYYBR-UHFFFAOYSA-N 433.435 5.774 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)c(C)c3)cc2)c2ccccc12 2331866087 ZUSZPMJSXWYRDA-UHFFFAOYSA-N 436.507 6.581 30 10 IKEE CC[C@H](C[C@H](C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339596959 MTVOOFSDOVOIKR-PKOBYXMFSA-N 446.397 5.187 30 10 IKEE Cc1sc(C(=O)N2CC(B3OC(C)(C)C(C)(C)O3)=CCC2(C)C)cc1Br 2362676044 HYDFHMCCRBUZHB-UHFFFAOYSA-N 440.212 5.001 30 10 IKEE C=C(C)CN1C(=O)[C@H](C)Oc2cc(NC(=O)C(c3ccccc3)c3ccccc3)ccc21 12167446 UGFPDOQMSZTKOQ-IBGZPJMESA-N 426.516 5.147 30 10 IKEE C=CCN1C(=O)[C@@H](C)Oc2ccc(NC(=O)CC(c3ccccc3)c3ccccc3)cc21 12169918 PXSQFSVORSZQOJ-LJQANCHMSA-N 426.516 5.147 30 10 IKEE CC(C)=CCC/C(C)=C/CC/C(C)=C/CCCN(C)CC/C=C(\C)CC[C@@H]1OC1(C)C 13524785 QVSSLEUYYYXQOL-RZMYASGSSA-N 429.733 8.412 30 10 IKEE Cc1cc(C)nc(NC(=NC(=O)Nc2ccc(Cl)c(Cl)c2)NC2CCCCC2)n1 14156493 RWPIUVJKMJQGQP-UHFFFAOYSA-N 435.359 5.323 30 10 IKEE Cc1cc(C)c(/N=C2\[C@@H](N3CCCCC3)C3(CCCCC3)C(=O)N2c2ccccc2)c(C)c1 15729254 BYFFSGOEORCNAM-XWGMSIGLSA-N 443.635 6.494 30 10 IKEE CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)c(Cl)c2)cc1 21229726 BPKKQCARDRVVHD-FUHWJXTLSA-N 442.386 6.295 30 10 IKEE C=CCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1cc(F)ccc1F 35844946 DXKGUBAPCZMGBL-UHFFFAOYSA-N 438.518 5.126 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)c(C)c2)[C@H]1c1ccc(F)cc1 40091726 VUMISZCQJOLCQT-JOCHJYFZSA-N 425.500 5.301 30 10 IKEE Cc1cc(OC(=O)c2ccc3c(c2)OCO3)cc2c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O2 41291472 KUPQQRRUPSBIEZ-MYKKPKGFSA-N 442.467 5.683 30 10 IKEE Cc1ccc(-c2csc3ncnc(/N=C4\NN=C(c5ccccc5)CS4)c23)c(C)c1 62041369 HPLWFHYNOMZQGL-UHFFFAOYSA-N 429.574 5.703 30 10 IKEE O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)n1nc(SCc3ccccc3F)nc1N2 97964546 XWQOACQKCFUJMI-HXUWFJFHSA-N 440.931 5.385 30 10 IKEE O=C(Nc1ccccc1Cl)[C@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2ccccc2)S1 100391962 FXUROMYZTXFDIL-MONKAWABSA-N 449.963 5.501 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2cccc(N(C)C(C)=O)c2)cc1 100405937 BQYDACZTGBNCJK-UHFFFAOYSA-N 441.597 5.145 30 10 IKEE N#Cc1cccc(Cn2c(Cc3ccc(Cl)cc3)nc3sc4c(c3c2=O)CCCC4)c1 169905892 AJFMHXDDWGFETF-UHFFFAOYSA-N 445.975 5.501 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(N(C)C)cc2)c1 169952983 GDJIWRNACBSIQU-QHCPKHFHSA-N 446.934 5.497 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccc(O)cc2)cc1C 169960134 LSJZJUDOFYWARH-JOCHJYFZSA-N 433.891 5.445 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@H]2c2cccnc2)cc1 170008822 BAXYNBDUZYEKOX-QFIPXVFZSA-N 432.907 5.389 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)c1 170060671 PLHJWVFTSKYDKN-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)cc1 170061780 ICSLJURMZGXEEQ-QFIPXVFZSA-N 435.882 5.824 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccccc2F)cc1C 170069975 FBJYMRIEKABBLX-QFIPXVFZSA-N 435.882 5.879 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)o1 170101235 MBKJIIZIQIIUJZ-KRWDZBQOSA-N 446.887 5.237 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1ccccc1OC 170125054 HZEYWVDVBYSUBF-QHCPKHFHSA-N 435.564 5.680 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2C2CCCCC2)c1 170145417 MNGHOUGYHBEDIQ-VWLOTQADSA-N 447.575 5.941 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1ccc(C(C)(C)C)cc1 170150238 GJAHYNBNUAWHRU-XMMPIXPASA-N 447.619 6.578 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccn2)cc1 170173215 WHTOITGYOZSUOD-XMMPIXPASA-N 442.515 5.434 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@H]1c1ccccn1 170181000 YCQDAEWEHPKYHJ-JOCHJYFZSA-N 436.552 5.156 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCC)cc1 170216103 TUUVXCVSOPSEBJ-QHCPKHFHSA-N 437.536 5.253 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@@H]1c1cccc2ccccc12 170220939 SQGLDCPDZKMBPU-QFIPXVFZSA-N 435.907 5.490 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccccc2)cc1C 170224972 GABAAFAATVSJRE-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@@H]1c1c[nH]c2ccccc12 170256246 IUDCAEWWNIUSDE-DEOSSOPVSA-N 446.547 5.562 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2C)c(C)c1 170269772 TXWMGJJOEBRFMH-JOCHJYFZSA-N 433.529 5.152 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2C)cc1C 170275573 OOYJBMWHYYBRSO-XMMPIXPASA-N 433.548 5.531 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccco2)cc1 170281701 JERUYTZWOLMICA-QFIPXVFZSA-N 435.451 5.236 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccc(C)o2)c1 170301992 AYCFZYGWQHPSSL-QHCPKHFHSA-N 447.487 5.005 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cc4cc(Cl)ccc4o3)=C(O)C(=O)N2c2ccccc2C)o1 170305654 HVJZSFMIMFVASB-JOCHJYFZSA-N 447.874 6.079 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1ccc(F)c(Cl)c1 170333836 ZTKDGERDVAAOLE-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE Cc1cc(C)c2nc(-n3ncc(C#N)c3Nc3ccc(-c4ccc(F)cc4)nn3)cc(C)c2c1 170547174 YQPVADBZQAOZLG-UHFFFAOYSA-N 449.493 5.557 30 10 IKEE CCOc1ccc(/C=C2/CC(C)C/C(=C/c3ccc(OCC)c(OC)c3)C2=O)cc1OC 208631412 BJDCCWRIZUGCMN-HHQODBOJSA-N 436.548 5.967 30 10 IKEE CC(C)CC(=O)N[C@@H](Oc1ccc(C=NNc2ccccc2)cc1)C(Cl)(Cl)Cl 254415896 UYHXWYVNRQDRFM-IBGZPJMESA-N 442.774 5.370 30 10 IKEE CC(=Nn1c(-c2ccc(OC(F)F)cc2)csc1=NC(C)C)c1cccc([N+](=O)[O-])c1 254583724 SECJMDYJNIWDSY-UHFFFAOYSA-N 446.479 5.308 30 10 IKEE COc1ccc(OC)c(-c2csc(=NC3CCCCC3)n2N=Cc2ccc(C#N)cc2)c1 254863237 IOHJFCRXWIJIJB-UHFFFAOYSA-N 446.576 5.221 30 10 IKEE C=C(CC[C@H](C)[C@@H]1[C@H](O)C[C@@H]2[C@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 257549905 TYAFBMTZMSJDIO-NXFDESTESA-N 430.673 5.496 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccs2)cc1Cl 526489645 ALIJHTYTOFJPHQ-OAQYLSRUSA-N 436.920 5.729 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccccc2C)c(C)c1 526812079 GIXFRITWKQWWLU-VEILYXNESA-N 440.616 6.163 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1ccc(O)c(O)c1 526813666 GWPPFHDVRKBBCJ-YVNNLAQVSA-N 437.352 5.123 30 10 IKEE CCc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccccc2Cl)cc1 526817555 YGCDDPBERXKHQG-PKAZHMFMSA-N 447.007 6.259 30 10 IKEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1ccccc1OCC 526829749 YNSPJDSHEKXSBU-HAHDFKILSA-N 439.541 5.102 30 10 IKEE N#Cc1cccc(C(=O)Oc2ccc(NC(=O)NC3CCCCCCCCCCC3)cc2)c1 586535015 DRUJLSRNHQOPIU-UHFFFAOYSA-N 447.579 6.572 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1cc(F)c(F)c(F)c1 698497699 NSXWKWDONLYUPK-MRXNPFEDSA-N 441.247 5.873 30 10 IKEE Cc1ccc(C)c(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2cc(O)cc(Cl)c2)c1 762445605 VGNKAPFWMHHFGI-UHFFFAOYSA-O 436.944 5.145 30 10 IKEE Cc1ccc2c(c1)S/C(=C1/C[C@@H]3[C@@H]4CC[C@@H]5CCCC[C@@]5(C)[C@H]4CC[C@@]3(C)C1=O)S2 1074653298 YMDSWPZYGHRYGY-NWLFOCIBSA-N 438.702 8.016 30 10 IKEE Cc1cc(N=Cc2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)ccc1Br 1084112308 XRADOILYLANOQF-UHFFFAOYSA-N 445.744 6.267 30 10 IKEE O=C(CSc1n[nH]c(NN=Cc2c3ccccc3cc3ccccc23)n1)c1ccccc1 1084419711 FGTBAYFVKKJXNW-UHFFFAOYSA-N 437.528 5.532 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=Nc1ccccn1 1772731188 JPSAYLVLSYVKNM-NSMWAFFQSA-N 432.461 5.040 30 10 IKEE O=C1/C(=C/c2ccncc2)SC(=Nc2nc(-c3ccccc3)cs2)N1C1CCCCC1 1772738649 QVLPZFJWPXAYQW-QGNOBFDASA-N 446.601 6.142 30 10 IKEE Cc1c(C(=O)N2c3ccccc3C[C@H]2C)oc2c1C(=NNc1ccc([N+](=O)[O-])cc1)CCC2 1772747587 NBQCLTJXPXJOKN-OAHLLOKOSA-N 444.491 5.240 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccc2O[C@@H](C)C(=O)OCC(C)C)c1 1858734928 FVYHLGRDZOVGLA-SFHVURJKSA-N 439.556 5.138 30 10 IKEE N#Cc1ccc(COc2cccnc2NC(=O)Nc2ccc(N3CCCCC3)cc2)cc1 1858866231 QZTMKCSQCWDEKO-UHFFFAOYSA-N 427.508 5.167 30 10 IKEE CC(C)Oc1ccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)nn2Cc2ccccc2)cc1 1859408816 SNZSEGZLLPGTLB-UHFFFAOYSA-N 436.515 5.510 30 10 IKEE CC(C)c1cc(C(=O)Nc2c(C#N)cnn2-c2ccc3ccccc3n2)c2ccccc2n1 1859649608 XDNVDCWBEVCEKY-UHFFFAOYSA-N 432.487 5.216 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(N(C)C)cc1 1862381315 XCLHABWWYPOGKP-LJQANCHMSA-N 433.335 5.048 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(C(=O)O)cc1 1862384591 VVVJRGJRKVAOFH-BBATYDOGSA-N 448.302 5.068 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2ccc(Cl)cc2)cc1 1862391883 KOLOSCXDYYTEBX-ZHRRBRCNSA-N 425.956 6.059 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1cccc(F)c1)c1ccccc1Cl 1862431087 ZBTVGACYZOWTDW-LJQANCHMSA-N 427.884 5.319 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCc2ccccc2)cc1 1862431531 JFXWIBWHZZFYFF-XMMPIXPASA-N 445.946 5.723 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1cccc2ccccc12 1862460042 HFSZRHRNSBAPCF-DMZKTXOQSA-N 439.433 5.634 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccccc1 1862465196 OXORQGONTBVKII-FQEVSTJZSA-N 442.353 5.608 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccc(C(=O)O)cc2)cc1 1862479005 WHDSPOABDHCOES-HXOBKFHXSA-N 441.483 5.033 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(OCC)c(OCC)c1 1862497422 JTEIYIPZPSYGQP-HSZRJFAPSA-N 437.536 5.089 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2cccc(OC)c2)cc1 1862530299 PHAVEISRBRGLPU-VWLOTQADSA-N 441.527 5.345 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccc(F)cc2F)cc1 1862535374 YQEOQYYDVAXAFH-FYSMJZIKSA-N 447.481 5.867 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1cccc2ccccc12 1862644088 CCNRXRCNKBMAMM-CMJOXMDJSA-N 433.479 5.364 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(N(C)C)cc1 1862664920 UQJNABDVASCPBG-DEOSSOPVSA-N 434.580 5.645 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCc2ccccc2)cc1 1862675625 POOBLEVJMXEEOE-XMMPIXPASA-N 445.490 5.045 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc(Cl)cc2)cc1 1862689272 MKMKVDNUGJQGIK-GNSUPJDDSA-N 439.939 5.506 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862718349 YNSYHECUODSSSW-QHCPKHFHSA-N 444.487 5.372 30 10 IKEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862718588 AEIGVYACLGDTQD-OSPHWJPCSA-N 443.543 5.096 30 10 IKEE COc1ccccc1NC1=C(c2cccc3ccccc23)C(=O)N(c2ccc(C#N)cc2)C1=O 1862849599 WEPRTBYHFOJPSZ-UHFFFAOYSA-N 445.478 5.117 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccccc3Cl)C2=O)cc1C 1863069540 SZWGDWOABUCCCT-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CC(C)(C)c1ccc(C(=O)Nc2c(C#N)nnn2-c2ccc(Cl)c(C(F)(F)F)c2)cc1 1870157440 CTUKCSHPPXSELM-UHFFFAOYSA-N 447.848 5.361 30 10 IKEE CCCCN(CC)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1Cc1cccc(C)c1 1870348105 JJRYCWPVHJISAR-UHFFFAOYSA-N 443.591 5.278 30 10 IKEE C=CCOc1cn(CCc2ccc(F)cc2)c(CNc2ccc(C(F)(F)F)cc2)cc1=O 1870809656 ONTQWIUXDMXUFW-UHFFFAOYSA-N 446.444 5.426 30 10 IKEE C=CCOc1cn(Cc2ccco2)c(CNc2ccc(-c3ccccc3C)cc2)cc1=O 1870811176 MNPSEHIHBGTTHZ-UHFFFAOYSA-N 426.516 5.642 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)OC)c(=O)cc1CNc1ccccc1 1870875047 MLAZDCDYWZPOAS-UHFFFAOYSA-N 428.573 5.153 30 10 IKEE CC(C)CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccccc1C(C)C 1871252041 IIHNHMSMDCGSEN-UHFFFAOYSA-N 443.591 6.081 30 10 IKEE CCCCCCCCN=c1[nH]c(Nc2ccc(Cl)c(C(F)(F)F)c2)ncc1[N+](=O)[O-] 1871305495 IEJMUPKXAYBHOX-UHFFFAOYSA-N 445.873 5.995 30 10 IKEE COC(=O)c1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871382009 JTEIUXWXPSSQBZ-NFOYZZEQSA-N 440.451 5.017 30 10 IKEE Cc1cc(O)c(CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c2c1C(=O)/C(=C/c1ccc(F)cc1)O2 1871394233 MGEICIOFFPEMTH-MEDFTETOSA-N 435.539 5.857 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCc4ccc(C#N)cc4)cc(C)c3C2=O)c(OC)c1 1871417852 UABUCPIQSHZPEZ-MYKKPKGFSA-N 427.456 5.079 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O 1871432154 WLPICRHZJHMSAW-SUVVMJBMSA-N 447.918 5.979 30 10 IKEE Cc1ccccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 1871453772 QRNMZPVDZMQQTK-AQDYPACCSA-N 425.484 5.493 30 10 IKEE COc1ccccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1sccc1C)C2=O 1871458178 DGRMOYQCRBZKSO-NDENLUEZSA-N 435.501 5.007 30 10 IKEE COc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)c(OC)c1 1872760293 LHFZUXVLOHEOJE-RSNBEDGSSA-N 440.524 5.870 30 10 IKEE CC(C)c1ccc(O[C@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 1872763384 KWYODRPAPWVYJI-QRWLVFNGSA-N 435.505 5.485 30 10 IKEE COc1ccc(C)cc1-c1csc([C@@H](C#N)C(=O)/C=C/c2ccc(C(C)(C)C)cc2)n1 1872771664 ZBYUUHHQYIKNRL-ZRFOIIEFSA-N 430.573 6.314 30 10 IKEE CCc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(C(C)C)cs2)c(Br)c1 1872774396 PSSYGVIGNWNENT-OAHLLOKOSA-N 435.387 5.627 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@H](C#N)C(=O)/C=C/c2ccc(C(C)(C)C)cc2)n1 1872781114 PAHHOWWNSWJQJG-RUCTVCJSSA-N 444.600 6.623 30 10 IKEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)NCCC3=CCCCC3)cc2[nH]1 1872806428 MYSADVFZIYUSLU-UHFFFAOYSA-N 431.536 5.327 30 10 IKEE N#Cc1cccc(NC2=C(c3ccc(-c4ccccc4)cc3)C(=O)N(C3CCCCC3)C2=O)c1 1873274470 AERSMRZTDCWZSG-UHFFFAOYSA-N 447.538 5.750 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1cc(Cl)cc(Cl)c1)n2CC=C 1873657072 WIUJRNHOGBNMLC-UHFFFAOYSA-N 442.350 5.355 30 10 IKEE CCCCCCCCNC(=O)[C@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 1873886464 WNJJSISUEBNOHA-AREMUKBSSA-N 446.635 6.610 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)NCCCCCCCCCC)c(=O)oc2c1C 1873935732 XMCTXTQKJALHIE-UHFFFAOYSA-N 441.612 6.164 30 10 IKEE CCCCOc1ccc(/C=N/n2c(COc3ccccc3Cl)nnc2SCC)cc1 1874266966 DJEWRSBECILUJJ-BUVRLJJBSA-N 444.988 5.684 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(Cc3cccc4ccccc34)nnc2SC)cc1 1874268068 FJZYAHZFCFJZPC-ZXVVBBHZSA-N 444.604 6.195 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CCc2ccc(Cl)cc2)nnc1SCC 1874282806 AJWWROBCMZEYCN-LFVJCYFKSA-N 426.973 5.276 30 10 IKEE C=CCSc1nnc(CCc2cccc(OC)c2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874310666 HYYKMROZSPFNDK-NLRVBDNBSA-N 434.609 5.530 30 10 IKEE CCCOc1ccc(/C=N/n2c(COc3ccc(C)cc3C)nnc2SCCC)cc1 1874327857 KRQJKWLFZIPXNZ-PCLIKHOPSA-N 438.597 5.647 30 10 IKEE Cc1ccc(OCc2nnc(SCCc3ccccc3)n2/N=C/c2ccccn2)c(C)c1 1874328077 VJESUQAZPFMRJN-WPWMEQJKSA-N 443.576 5.086 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(Cl)cc3)n2/N=C/c2ccc(O)cc2)cc1 1874339324 RFIUPVCGVZYMKF-CVKSISIWSA-N 448.979 5.711 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(Cc3ccccc3)nnc2SCc2cc(C)ccc2C)c1 1874416660 BBUATAUSGUWCCF-JVWAILMASA-N 442.588 5.674 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C2CCCC2)c1 1874454857 YNPZTRHREUNBFU-YDZHTSKRSA-N 437.525 5.032 30 10 IKEE CC(C)(C)c1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3)nnc2C(C)(C)C)cc1 1874481333 SLRNMHWREVESSH-WGOQTCKBSA-N 449.624 5.486 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874485486 YFFHAZSQQHOENS-WSDLNYQXSA-N 429.933 5.312 30 10 IKEE COc1ccccc1/C=N/n1c(CC(C)C)nnc1SCc1ccc(Cl)cc1Cl 1874492125 ALLKIIGPJVWVIX-WYMPLXKRSA-N 449.407 5.967 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874508717 RNWJPRZSTDKCKF-ZVHZXABRSA-N 447.520 5.172 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CC2)cc1O 1874522985 SZLMLUDHEFWZAA-LSFURLLWSA-N 435.336 5.048 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/n2c(S)nnc2C(F)(F)F)c(Cl)c1 1874559893 VSWKUHGIRVFKGL-ZMOGYAJESA-N 448.942 6.251 30 10 IKEE Cc1ccc(COc2ccccc2/C=N/n2c(S)nnc2CCc2ccccc2C)cc1 1874562475 YXFBRAHMNZXLEU-WPWMEQJKSA-N 442.588 5.430 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2c(OCc3ccccc3F)ccc3ccccc23)cc1 1874577769 FFOAKVWUHFEJCT-WUKNDPDISA-N 426.487 6.853 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(Cl)cc2)c1OCC(=O)Nc1cccc(C)c1 1874578300 GXNBPNUQCQOTFV-SDNWHVSQSA-N 435.907 5.571 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)OCC(C)C)c([N+](=O)[O-])c2)cc1 1874607609 WDMJWFOOJGIKDK-UKTHLTGXSA-N 439.508 5.412 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3F)c(OC)c2)cc1C 1874608124 XOGQWCZVABIGPK-DHZHZOJOSA-N 449.478 5.065 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(OC)c1OCc1cccc(F)c1 1874609500 UXSFMUFMQQAXCE-NTEUORMPSA-N 432.491 6.047 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 1874613792 NLOPLNNKYCPXJT-NTUHNPAUSA-N 427.327 6.867 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OCc1nc(O)c2ccccc2n1 1874614865 UPWROMKTYZKLJE-WYMLVPIESA-N 426.472 5.209 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)c1ccc(F)cc1 1874625051 JQVDUQNCUGPQIF-XNWCZRBMSA-N 435.709 7.261 30 10 IKEE C=CCOc1c(Cl)cc(/C=C/C(=O)c2cc(OCC)ccc2OCC)cc1OCC 1874630098 KKFVSLDEUJLGEX-PKNBQFBNSA-N 430.928 5.997 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OCc1c(F)cccc1Cl 1874635911 ZXRLWKNMKBBXIK-CSKARUKUSA-N 438.926 6.888 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(C(F)(F)F)cc2)c1)c1cccc([N+](=O)[O-])c1 1874692592 OKRTVZOQQXGLJR-KPKJPENVSA-N 441.361 5.729 30 10 IKEE Cc1cccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)c2)c1C 1874693568 LKUJDAHBQLWMDP-DTQAZKPQSA-N 440.539 6.063 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1OC(=O)c1ccc(F)c(F)c1F 1874699623 DULXYNVAWVFHEG-KRXBUXKQSA-N 448.343 5.506 30 10 IKEE Cc1cc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)c2)ccc1F 1874706217 WFETUQNOPVPFSS-OQLLNIDSSA-N 430.519 6.476 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)c2)c1 1874706305 ZLTXKLWUXOIMEG-LFIBNONCSA-N 426.556 6.645 30 10 IKEE CCCc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C)c(C)c3)c2)cc1 1874714456 WVRHJBKIIUNHJZ-FOWTUZBSSA-N 428.528 6.136 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Cl)c(OC(=O)c2cncc(C)c2)c(OC)c1 1875118233 RYQQQKZDZBHZPB-CMDGGOBGSA-N 437.879 5.176 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)CC1CCCCC1 1875120338 PEAXXDBFOCULJR-DHZHZOJOSA-N 444.474 5.754 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3C)c([N+](=O)[O-])c2)cc1 1875135664 BGVWCVOIIFEXLY-NTEUORMPSA-N 429.472 5.646 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(OCCC)cc2)cc1OC 1875136208 CVBUQYKVWAOSHW-MDWZMJQESA-N 430.928 6.129 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(Cl)c(OC(=O)c2ccccc2)c(OC)c1 1875143468 BAZRGVSUMOBEGD-ZHACJKMWSA-N 436.891 5.781 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1cccc(Cl)c1 1875144161 HTCFBNNOGHYTTG-CSKARUKUSA-N 436.891 5.781 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)C1CCCC1 1875156872 MRMOEYFCAXGGKW-NTEUORMPSA-N 440.967 6.854 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2cccs2)cc1 1875167524 CPDRYZCDRPUKDW-RMKNXTFCSA-N 447.339 6.108 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)c1ccccc1C 1875185682 JQJIDYDPPVIPBZ-NTCAYCPXSA-N 442.555 6.725 30 10 IKEE C=C1CC(CSCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)C1 1885753726 QLCISWKNUBVCTQ-QHCPKHFHSA-N 437.561 5.068 30 10 IKEE N#CC1(c2ccccc2)CCN(C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)CC1 1891717889 PJKPRXUNPVMSNS-UHFFFAOYSA-N 435.502 5.738 30 10 IKEE CCCCCCC[C@@H](NCCC)c1c(Br)sc(Br)c1Cl 1923079929 ONXASIAUPMTRNL-LLVKDONJSA-N 445.692 7.328 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 1944566010 NOPPWCKGRPLAGX-HOYKHHGWSA-N 435.609 5.533 30 10 IKEE C=CC1(C[C@H](C[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)NCCC)CCC1 2002635278 XMBJOLJNSQFZRF-GOTSBHOMSA-N 430.633 5.601 30 10 IKEE C=CCCCCCC[C@@H](N)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2026019525 NOLLXDIXTFRAOA-HSZRJFAPSA-N 429.649 5.400 30 10 IKEE O=C(C=Cc1ccc(Cl)c(Cl)c1)OCC(=Nc1ccccc1)Nc1ccccc1 2040469910 SQQTYZPTOSEOCV-UHFFFAOYSA-N 425.315 6.392 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)cc1Cl)NCCC 2063095317 QGPACODIUQMTCT-IAGOWNOFSA-N 431.802 5.093 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C12CCC2 2076643673 CUKHPRGXEJTBRZ-RUZDIDTESA-N 447.620 5.772 30 10 IKEE CC(C)(C)OC(=O)c1nn(-c2c(F)cccc2C(F)(F)F)c(C(F)(F)F)c1Cl 2079183160 MBYCTPYTOJLLEK-UHFFFAOYSA-N 432.723 5.658 30 10 IKEE Fc1ccc(C(F)(F)F)c(-c2c(C(F)(F)F)nn([C@H]3CCOC3)c2Br)c1 2080825207 IAKLJACNWARKMO-QMMMGPOBSA-N 447.148 5.451 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)C2(C#N)C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc1 2094883954 BAJQJGLGFFQPCS-APBVPVKBSA-N 447.579 5.526 30 10 IKEE CCCN[C@]1(C#N)C[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)CCC1(C)C 2099190027 SKQAPSAKQHTKLW-YTMVLYRLSA-N 446.683 5.461 30 10 IKEE C=CCN(CC[C@@H](NCCC)c1c(Cl)cccc1Br)C(=O)OC(C)(C)C 2099292928 NGYCMKGMPCAEKL-QGZVFWFLSA-N 445.829 5.956 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](O)Cc2ccc(Cl)c(Br)c2F)C1 2126684654 JMFWMEMHAQFKFX-CQSZACIVSA-N 448.760 5.006 30 10 IKEE C=CCC[C@@H](NCCC)c1sc(Br)c(Br)c1Br 2216487337 IMLCJNTXGYYLNU-MRVPVSSYSA-N 446.046 6.043 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCC12CC(F)(F)C2 2230725371 WLMPPJQVAADMOM-SFHVURJKSA-N 427.289 5.662 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)[C@@H](NC(=O)OC(C)(C)C)c1cccs1 2235734830 XZZMWJDFTQJIRW-IEBWSBKVSA-N 449.414 5.106 30 10 IKEE C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2255685205 XFMSOBHOYGUXCW-KRWDZBQOSA-N 439.792 5.080 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2257337335 FDVJHXYMFULBNR-NOEFBULQSA-N 441.572 5.404 30 10 IKEE C=CCCC1([C@@H](O)Cc2cc(Cl)ccc2Br)CN(C(=O)OC(C)(C)C)C1 2266213306 GCVFFRPSRCEVKB-KRWDZBQOSA-N 444.797 5.209 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)CN(C(=O)OC(C)(C)C)C(C)(C)C 2296218245 BVZGWSOWSFJCPD-LJQANCHMSA-N 437.422 5.204 30 10 IKEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc([C@@H](N)C#Cc2cccc(Br)c2)cc1 2296223665 CBAPMKIAIJWKAV-QRWLVFNGSA-N 429.358 5.086 30 10 IKEE O=C1C(=Cc2cccc(Cl)c2Cl)SC(=Nc2ccccc2)N1c1ccccc1 2296684728 UKBNRNSJEYFUED-UHFFFAOYSA-N 425.340 6.802 30 10 IKEE Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccccc3)[C@@H]2c2ccc(N(C)C)cc2)cc1Cl 2297745669 VOMFAYTUGPHXMZ-QHCPKHFHSA-N 446.934 5.341 30 10 IKEE O=C1N=C(NN=Cc2ccccc2)SC1=Cc1cn(-c2ccccc2)nc1-c1ccccc1 2314480501 BSXDHRGRFCACGD-UHFFFAOYSA-N 449.539 5.133 30 10 IKEE C=CCN1C(=O)C(=Cc2cccc3ccccc23)SC1=Nc1ccc(O)cc1C(=O)O 2314926282 FNOOBQCAAXRPIN-UHFFFAOYSA-N 430.485 5.034 30 10 IKEE COc1ccccc1-c1csc(NN=Cc2ccc(OC(C)C)c(Br)c2)n1 2318417733 DLGULUBJGQWVFJ-UHFFFAOYSA-N 446.370 5.814 30 10 IKEE Cc1ccc(CSc2nncn2N=Cc2ccccc2OCc2ccccc2)c(C)c1 2318574738 SBXBVQCESDOOEA-UHFFFAOYSA-N 428.561 5.648 30 10 IKEE CCc1ccc([C@H](C)N2COc3ccc4c(c3C2)OC(=Cc2cccc(C)c2)C4=O)cc1 2322260227 ZKXGAPCXXIJZIR-IBGZPJMESA-N 425.528 6.087 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2ccccc2Cl)cc1 2322401975 GSGSWXVKJCOPBX-UHFFFAOYSA-N 434.963 7.166 30 10 IKEE COc1ccc([C@H](C)N2COc3c(cc4c(c3C)OC(=Cc3cccc(F)c3)C4=O)C2)cc1 2322437247 VTBHTFITWFPGOO-KRWDZBQOSA-N 445.490 5.672 30 10 IKEE CCOC(=O)c1ccc(COc2c(C=CC(=O)c3ccccc3)cc(Cl)cc2OC)o1 2322545727 ATJYAOKBPLJCQB-UHFFFAOYSA-N 440.879 5.593 30 10 IKEE Cc1ccccc1C(=O)Oc1cc(C)c2c(c1)OC(=Cc1ccc(Cl)cc1Cl)C2=O 2322685546 BIWCKPIKHWHSFZ-UHFFFAOYSA-N 439.294 6.446 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc3c(c2)OC(=Cc2ccc(CC)cc2)C3=O)cc1 2323075990 IRYNLUZPQCFDTD-UHFFFAOYSA-N 444.483 5.248 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OC(=O)CCc4ccc(C)cc4)ccc3C2=O)cc1 2323078728 CRRJHFDDLOYRLR-UHFFFAOYSA-N 428.484 5.548 30 10 IKEE COc1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2323423690 YJMIIXGNEYUAMG-UHFFFAOYSA-N 446.886 5.892 30 10 IKEE Cc1c(OC(=O)CCOc2ccccc2)ccc2c1OC(=CC=Cc1ccccc1)C2=O 2323688220 UPTYEVQVHPPKPN-UHFFFAOYSA-N 426.468 5.542 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)C=Cc1ccc(OCC)c(OC)c1 2323888924 RZXYZJGRQXWESQ-QFIPXVFZSA-N 446.632 5.259 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3cc(OC(=O)CCc4cccs4)ccc3C2=O)cc1 2323972035 CMKILLZIMRRNCE-UHFFFAOYSA-N 432.541 6.200 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1cccc2ccccc12 2324129932 MHUIEEYKCSLNAL-UHFFFAOYSA-N 443.886 6.877 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2)c1 2324155744 KGRHJIZLDUFXPI-UHFFFAOYSA-N 427.544 6.340 30 10 IKEE Cc1cc(OCC(=O)OCc2ccccc2)cc2c1C(=O)C(=Cc1cccc(Cl)c1)O2 2324221085 WVBXQXIVQKYZMC-UHFFFAOYSA-N 434.875 5.387 30 10 IKEE CCN(CC)C(=O)COc1ccc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)cc1 2324324721 RBXOBPRMYBGHFI-UHFFFAOYSA-N 436.335 5.145 30 10 IKEE CCOc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3cccc(OC)c3)cs2)cc1OC 2324383520 VENFCBSJTRBJDN-IBGZPJMESA-N 434.517 5.116 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2cccc(F)c2)C3=O)c1 2324456018 LBADYRMSUZXOAU-SFHVURJKSA-N 445.490 5.773 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)ccc1OCc1ccc(F)cc1 2324588674 CUYXTCPRIFHTDJ-UHFFFAOYSA-N 432.535 6.915 30 10 IKEE COC(=O)c1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3cccc4ccccc34)cs2)cc1 2324640329 YDDKKFSOYCKQTJ-QFIPXVFZSA-N 438.508 5.640 30 10 IKEE Cc1cccc(C(C)C)c1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1cccs1)C2=O 2324990011 SCVSFMDKDBPPKJ-UHFFFAOYSA-N 447.556 6.122 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1cccc(C=CC(=O)c2ccc(F)cc2F)c1 2325725978 DAOBSZBDJFZBPY-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE COc1cccc(C(=O)Oc2cc(C=CC(=O)c3cc(C)ccc3OC)ccc2OC)c1 2325742445 XBVMYEQNFNEQPK-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE Cc1cccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)c2)c1C 2325746357 IPVGPDIORJZHLK-UHFFFAOYSA-N 442.555 6.481 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1OC(=O)C(F)(F)F 2325754365 YHIQVTKWBVAWDO-UHFFFAOYSA-N 442.389 5.851 30 10 IKEE CSCCCC(=O)Oc1cccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)c1 2325754995 UJILDJTTZFUGAD-UHFFFAOYSA-N 432.541 6.424 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Br)c(O)c(Br)c2)cc1Cl 2325797298 JLFPSFNQRKFIOH-UHFFFAOYSA-N 446.522 5.475 30 10 IKEE COc1ccc2ccccc2c1C=Nn1cnnc1SCc1ccc(Cl)cc1Cl 2326695967 MZQADGUTSKPJHS-UHFFFAOYSA-N 443.359 5.921 30 10 IKEE C=C(C)CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1cc(C)ccc1O 2326911237 PEJIPXJDKITGST-UHFFFAOYSA-N 436.625 5.601 30 10 IKEE Cc1ccccc1OCCCc1nnc(SCCc2ccccc2)n1N=Cc1ccc[nH]1 2327107234 QXRBGVBXDFLLQH-UHFFFAOYSA-N 445.592 5.143 30 10 IKEE C=CCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1cn(C)c2ccccc12 2327771860 WAHWBOYNFYANAZ-UHFFFAOYSA-N 437.572 5.674 30 10 IKEE Clc1ccc(CCc2nnc(SCc3ccccc3)n2N=Cc2ccccn2)cc1 2328056533 KVWZPUSXCXAACG-UHFFFAOYSA-N 433.968 5.286 30 10 IKEE CCCSc1nnc(CCc2cccc(OC)c2)n1N=Cc1ccc(C(F)(F)F)cc1 2328653638 VEFMLKSFJLJQCR-UHFFFAOYSA-N 448.514 5.475 30 10 IKEE Cc1ccc(CCc2nnc(SCc3cccc(F)c3)n2N=Cc2cccnc2)cc1C 2328936415 FSLIDVYSNSZDSB-UHFFFAOYSA-N 445.567 5.389 30 10 IKEE COc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2N=Cc2ccncc2)cc1 2329292444 UULMCZDQPNEWCH-UHFFFAOYSA-N 449.967 5.100 30 10 IKEE Oc1cccc(C=Nn2c(CCc3cccs3)nnc2SCc2ccccc2F)c1 2329665537 XCCLQMWIAOPZTC-UHFFFAOYSA-N 438.553 5.144 30 10 IKEE Cn1cccc1C=Nn1c(CCc2cccs2)nnc1SCc1ccc(Cl)cc1 2329686884 JVHINGWOIWIXKO-UHFFFAOYSA-N 442.013 5.291 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)cc3)n2N=Cc2ccccc2F)cc1 2329936282 RCOCSDIFPCUQDU-UHFFFAOYSA-N 430.552 5.799 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccccc2C)cc1 2329943628 KMPFUWJXBWCSBP-UHFFFAOYSA-N 430.552 5.799 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3Cl)n2N=Cc2ccncc2)cc1 2330002144 JHKNWKGWPDQOCP-UHFFFAOYSA-N 433.968 5.400 30 10 IKEE Fc1ccccc1CSc1nnc(-c2cccs2)n1N=Cc1cccc2ccccc12 2330583840 YTHIHNVWXURINU-UHFFFAOYSA-N 444.560 6.473 30 10 IKEE O=C(CCOc1ccccc1)Oc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1 2330595196 JZGJDPUGTOJNCL-UHFFFAOYSA-N 448.518 6.624 30 10 IKEE CCCOC(=O)CSc1nnc(-c2cccs2)n1N=Cc1cccc2ccccc12 2330620160 ADBWKEYZJYQHJB-UHFFFAOYSA-N 436.562 5.087 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccccc2)n1N=Cc1ccc(C(C)C)cc1 2330638258 SNBIHTXZKDZQFF-UHFFFAOYSA-N 426.589 6.551 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1Cl 2330662080 ONEWNJABDHYEIC-UHFFFAOYSA-N 442.898 6.617 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccccc3F)nnc2-c2ccccc2)c(OC)c1 2330671973 APCRYZKRMSFAHJ-UHFFFAOYSA-N 448.523 5.276 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1ccc(Cl)cc1 2330705113 AINUAKUAPMTNRL-UHFFFAOYSA-N 446.930 6.343 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)CCCSC)c(OC)c2)cc1 2330738683 CFCFVCPTQHDQMV-UHFFFAOYSA-N 432.969 5.856 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 2331077630 LNDIXMUYSKCOTL-UHFFFAOYSA-N 447.443 5.117 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2OC)cc(OC)c1OC(=O)c1ccccc1F 2331079799 DTWGWNKEJKCKEO-UHFFFAOYSA-N 446.474 5.687 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cc(Cl)ccc2Cl)cc1)c1cccc(Cl)c1 2331116146 PPVHNUGEOSWQJV-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OC(=O)[C@H](C)c1ccccc1 2331132478 GXBXBWPQHXKGBW-GOSISDBHSA-N 434.919 6.344 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)c1cncc(C)c1 2331232448 MZJAEWBIMYOOGN-UHFFFAOYSA-N 441.527 5.859 30 10 IKEE CC(C)[C@H](CN(C)Cc1ccccc1)Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339574601 KGLDITZUJRLVSN-QHCPKHFHSA-N 435.421 5.295 30 10 IKEE C=C(C)CCCC[C@@H](OCC(=O)O)c1sc(Cl)cc1I 2366682233 ZZOIVQMEZUANED-LLVKDONJSA-N 428.719 5.285 30 10 IKEE CC(=O)Oc1c(Br)cc(/C=N/c2ccc(Cl)cc2)cc1Br 3082666 ROJMMKPSSUBOJQ-UFWORHAWSA-N 431.511 5.541 30 10 IKEE COc1ccc(N/C=C\C(=O)c2cccc(OCc3c(F)cccc3Cl)c2)cc1Cl 8782087 XBKFIHCFQHXZOM-KHPPLWFESA-N 446.305 6.529 30 10 IKEE C=C(C)CN1C(=O)[C@H](C)Oc2cc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc21 12082056 NOFBILSIMGYXAD-KVEVGEHQSA-N 431.319 5.335 30 10 IKEE Cc1cc(C)cc(/N=C2\C(=O)N(CN3CCC(Cc4ccccc4)CC3)c3ccccc32)c1 16268941 JROKBDYPFBQXLA-HYOGKJQXSA-N 437.587 5.683 30 10 IKEE Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(SCc4cccc(F)c4)nn32)cc1 20850487 FCTGPFJVYUOKLL-JOCHJYFZSA-N 448.567 5.676 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)c(Cl)c2)cc1 21220515 PHGXEUIVOGBBDD-RDJZCZTQSA-N 430.331 5.396 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(O)cc2)cc1 21226866 OZBLUESEQWINFN-WINIVTDRSA-N 426.516 5.770 30 10 IKEE Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(Cl)c(Cl)c2)cc1 21227289 LEMTYAUWXDMEOD-HFJWLAOPSA-N 449.381 7.281 30 10 IKEE COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1Cl 21258239 JMKQPZPKJUSTDK-OWJWWREXSA-N 436.964 6.390 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\Oc3ccc(Cl)cc3C2=O)cc1 39842455 LBALSCOQRMYEBQ-QRVIBDJDSA-N 428.875 5.818 30 10 IKEE Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)COc1ccccc1 59240523 VQLUBQKFDJUPRS-FQEVSTJZSA-N 425.315 5.975 30 10 IKEE CCOc1ccccc1/C=C(\C(=O)c1ccc(OC)c(OC)c1)c1nc2ccccc2o1 97514710 XWMNOIHRMLZFIL-XDJHFCHBSA-N 429.472 5.667 30 10 IKEE Cc1nc(COc2ccccc2/C=C/C(=O)Nc2ccccc2SCCC#N)cs1 97553829 KJLXMKIFWXWVRR-VAWYXSNFSA-N 435.574 5.688 30 10 IKEE CCCCCCCN1C(=O)C[C@H](C(=O)Nc2cccc(C)c2)S/C1=N\c1ccccc1 100171404 PUXQZESGIRYIGC-MCMRFMRISA-N 437.609 5.926 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)NCc1ccc(Cl)cc1Cl 100444406 CTGJMNHCJLKYGP-UHFFFAOYSA-N 445.500 7.185 30 10 IKEE CCCCCCCCCCCCn1c([C@@H](C)NC(=O)C2CCCCC2)nc2ccccc21 102117350 ZLKJMUFQGDULTQ-HSZRJFAPSA-N 439.688 7.715 30 10 IKEE O=C1/C(=C\c2ccccc2Br)Oc2cc(OC/C=C/c3ccccc3)ccc21 102727909 BVTITMCTPLJMCT-WPOVIADYSA-N 433.301 6.158 30 10 IKEE O=C1/C(=C\c2ccc3c(c2)OCO3)Oc2cc(OCc3ccc(Cl)cc3Cl)ccc21 102761799 XVOMTHXRTYKHDW-GZIVZEMBSA-N 441.266 5.917 30 10 IKEE CCCCCCCCCCN(/N=N/c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 103750178 LZHQECWXVIFHLO-WCWDXBQESA-N 427.505 7.149 30 10 IKEE CCCCO[C@H]1Oc2ccc(Cl)cc2C(=O)/C1=C\Nc1nc2c(Cl)cccc2s1 109847407 SKSDCHASVYFOLE-IXDOJHRFSA-N 449.359 6.317 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\n2c(S)nnc2CCCC)c(Cl)c1 169910964 BQVGACDFYFWQSY-ULJHMMPZSA-N 437.053 6.574 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3ccc(C)cc3)cs2)cc([N+](=O)[O-])c1OCC 169943287 QPCNGZPHOCREJP-UUYOSTAYSA-N 426.498 5.270 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3O)[C@@H]2c2cccs2)cc1 169987322 KQCKRVZITCBNTL-HXUWFJFHSA-N 439.920 5.452 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@H]2c2cccnc2)cc1C 170004697 SUXKRDFTCMVUDS-NRFANRHFSA-N 436.870 5.274 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cn(C)c3ccccc23)c1 170084392 RBMYFSXTBWEJMY-XMMPIXPASA-N 440.499 5.167 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cc(Cl)ccc3OC)=C(O)C(=O)N2c2ccccc2)cc1 170113360 CJXWZYNYXHOJRI-QFIPXVFZSA-N 449.890 5.140 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2C2CCCC2)c1 170121500 WXFCSBZSJWDXBB-HSZRJFAPSA-N 435.520 5.003 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(O)cc2)c1 170132627 LHUDSYFJLPISBH-QFIPXVFZSA-N 449.890 5.227 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@H]1c1ccc(O)cc1 170137598 NFVMLNVOICFFDD-HXUWFJFHSA-N 443.927 5.131 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2ccccc2C)c1 170142823 DPJNZJJGXPKMRB-AREMUKBSSA-N 433.507 6.240 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccc2)ccc1Cl 170223945 YXHIFRCJCRHESY-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)cc4F)[C@H]3c3ccccc3)ccc2O1 170229288 LVHIOTXMLCVWEV-PSLXWICFSA-N 447.437 5.071 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@H]1c1ccccc1 170232895 GAGHKADOAITRHT-OAQYLSRUSA-N 427.928 5.507 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@@H]1c1ccc(Cl)cc1 170236134 MCCRDEZTPNAYPK-IBGZPJMESA-N 434.319 5.380 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)cc1C 170238669 DQKFCIZTOQPPEU-JOCHJYFZSA-N 435.426 5.065 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2c[nH]c3ccccc23)c1 170254136 BAFNJODRUTUNRK-XMMPIXPASA-N 438.483 5.350 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccc(O)c2)c1 170258049 NKAKPLXFBRWOHG-QHCPKHFHSA-N 447.462 5.103 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@H]1c1cccc(O)c1 170262832 QCHLTPRXLASWLK-HSZRJFAPSA-N 437.536 5.293 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)c(Cl)cc2OC)[C@@H]1c1ccccc1C 170276658 DRYFCYIOYXZAKU-NRFANRHFSA-N 443.927 5.044 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccco1 170286543 UVQUYEKQSFAUJH-FQEVSTJZSA-N 437.879 5.341 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@H]1c1ccc(C)o1 170309256 FKQBDLTWCDMKMK-JOCHJYFZSA-N 425.525 5.407 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2sccc2C)c1 170314263 BRELNAGGBXGYBR-IBGZPJMESA-N 434.473 5.056 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1sccc1C 170315568 BZKBFXZTXOTIGP-OAQYLSRUSA-N 449.528 5.165 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1cccc2ccccc12)c1ccncc1 170370562 JMUHWJCZKFNXDM-QHCPKHFHSA-N 440.886 5.671 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)cc1OCC 170371732 WFDYTKOSTUAJKK-XMMPIXPASA-N 443.499 5.267 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Nc3ccccc3)cc2)[C@H]1c1ccco1)c1ccco1 170400613 RGQGXCVOYUHSGC-QFIPXVFZSA-N 426.428 5.399 30 10 IKEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c(Cl)cccc1Cl)N2 226891684 YINVJIVHPQUNSK-WIEQDCTASA-N 435.376 5.284 30 10 IKEE CCN(C(=O)/C=C\c1ccc(OCC#N)c(OC)c1)[C@H](C)c1cccc(C(F)(F)F)c1 230024636 UUZNZZUHYZFWCO-HGPCXVNDSA-N 432.442 5.239 30 10 IKEE CCCCCCCCCOc1ccc(C=Nc2ccc(O[C@H]3COCC=C3C)cc2)cc1 254631991 SDTKHWMFHXSCKR-NDEPHWFRSA-N 435.608 7.291 30 10 IKEE Cc1ccc2nc(-c3ccc(N=C4SCCCN4C(=O)C4CCCC4)cc3)sc2c1 254825999 RQAFYESHWVJJON-UHFFFAOYSA-N 435.618 6.415 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Br)ccc1C)NCC 407593997 NFZGOQIZUXHCPJ-RTBURBONSA-N 425.411 5.138 30 10 IKEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H]1c1ccc(C)c(C)c1 460386330 IDYMEOCISYCXSW-QFIPXVFZSA-N 440.551 5.128 30 10 IKEE N#Cc1cccc(NC2=C(Sc3ccccc3)C(=O)N(c3cccc4ccccc34)C2=O)c1 526658331 FEEQNNXZCVPHNG-UHFFFAOYSA-N 447.519 5.701 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(Nc2ccccc2C#N)=C(SCc2ccco2)C1=O 526668051 OPHNCCVDZQBVFZ-UHFFFAOYSA-N 449.919 5.243 30 10 IKEE CCOc1cc(/C=N\n2c(CC)nnc2SCc2ccc(F)cc2)ccc1OC(C)C 526801670 ZAAZLWKEWFLGEZ-QFEZKATASA-N 442.560 5.340 30 10 IKEE CCCOc1c(Cl)cc(/C=N\n2cnnc2SCc2ccccc2F)cc1Cl 526803333 YAUGSDYYEFRAHB-VROXFSQNSA-N 439.343 5.687 30 10 IKEE CCc1nnc(SCc2ccccc2F)n1/N=C\c1ccc(OC(C)C)c(Cl)c1 526803522 XKVPIZGAZCXXQX-MSXFZWOLSA-N 432.952 5.595 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1ccc(OC(C)=O)cc1 526809530 NFWFXTZJIGHBGU-MYYYXRDXSA-N 436.581 5.337 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1cccc(Cl)c1Cl 526821492 VNHQZWYIKUGOLA-MXAYSNPKSA-N 441.387 6.475 30 10 IKEE N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2cc(Br)cnc2O)c1 609725121 GLACSTCIZLAVBP-UHFFFAOYSA-N 444.672 5.119 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)C(C)(C)C2)c1 698468641 JVLVVMAPJVTCMV-RUZDIDTESA-N 443.588 5.808 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1cccc(C(F)F)c1 698480721 BIOMBROWZDZYQR-QGZVFWFLSA-N 437.284 6.393 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@@](C)(C#N)c1cc(Br)ccc1F 698952698 LDVKYKVEPPQMBN-KRWDZBQOSA-N 426.290 5.264 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@@H](C#N)c1cc(F)ccc1Br 698966598 OQGDHNQDOINLHV-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE C=CCC1([C@@H](NCC)c2c(F)ccc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 722924174 WIDDMMGQAGRALR-KRWDZBQOSA-N 445.348 5.191 30 10 IKEE C[C@@]12CC[C@@]3(C)[C@@](C)(CC[C@]4(C)C(=O)/C(=C\c5ccncc5)C[C@@]43C)[C@@]1(C)CC[C@H](O)C2 1082488535 GYTNBVPAHRXQRC-GNEDNYLMSA-N 435.652 6.608 30 10 IKEE CCc1ccc(N=C2NC(=O)/C(=C\c3cc(Br)c(N4CCCC4)o3)S2)cc1 1084353726 HBNXLMZSTPNCMX-SFQUDFHCSA-N 446.370 5.096 30 10 IKEE Cc1ccc(-c2cc(N=Cc3cc(Br)ccc3O)n(Cc3ccccc3)n2)cc1 1084539761 KSYAVXYCUSOMTF-UHFFFAOYSA-N 446.348 6.126 30 10 IKEE CC(C)=CC(=O)NC1=CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4CC[C@@H]([C@@H](C)N(C)C)[C@@]4(C)CC[C@H]32)C1=O 1615811130 FPBGDMGTAHIUMI-JKYBJULCSA-N 440.672 5.351 30 10 IKEE Cc1cccc(NC(=O)[C@@]23CC[C@@](C)(C(=NOC(=O)c4ccc(Cl)cc4)C2)C3(C)C)c1 1772722776 SVVCUKRDOCONHS-LOSJGSFVSA-N 438.955 6.016 30 10 IKEE Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N\NC(=S)Nc2ccccc2)cc1C 1857810643 ARNDZCHEXHQAEW-QQXSKIMKSA-N 425.561 5.477 30 10 IKEE CCc1ccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)nn2-c2ccc(Cl)cc2)cc1 1859398184 KIWFYKBQDFTTFF-UHFFFAOYSA-N 426.907 5.879 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)c1ccc(-n2cccc2)cc1 1861772559 KZZPQNBXLBSUDI-XMMPIXPASA-N 425.617 5.633 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2cccc(C)c2)cc1 1862389215 AOMCOSONBZHGCM-ZOSUSCCZSA-N 445.603 6.495 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(CC)cc2)cc1 1862390712 KOILKQIBTUBICX-ILBGXUMGSA-N 447.575 5.349 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc(OC)cc2)cc1 1862392391 WOFZTEVHSYRLGE-XMMPIXPASA-N 435.564 5.662 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccccc1 1862429924 XSGHOLQSCVOILJ-JOCHJYFZSA-N 425.956 6.279 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1c(F)cccc1Cl)c1ccccc1Cl 1862435069 NOADPWNMDSNYNT-LJQANCHMSA-N 434.294 5.653 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862437029 IATSBERTSGEUHA-YCRPNKLZSA-N 427.928 5.506 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc2c(c1)CCCN2C 1862442605 FZFCSLQAMGDXGP-QRQCRPRQSA-N 438.955 5.099 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)c1 1862444535 AJMXZCQAUVUYPP-MWTRTKDXSA-N 447.918 5.688 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(Br)c1 1862452866 MAPXMJKESVOXQY-GOSISDBHSA-N 448.744 5.337 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccccc1F 1862457230 LKADZVMWSTVDIZ-ICNNEYJISA-N 447.428 5.400 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@@H](C)c2ccccc2)c1 1862489907 JZSXVCIQAXEKES-CPJSRVTESA-N 425.528 5.951 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2cccc(O)c2)c1 1862490152 OQFQIGSATYGSIQ-RUZDIDTESA-N 441.527 5.404 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2cc(C)ccc2C)c1 1862507585 OTUCLMFENFPGSS-VWLOTQADSA-N 443.518 5.838 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2Cc2cccs2)cc1 1862543346 FCNINJNLXUMZCQ-DEOSSOPVSA-N 443.568 5.714 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(N(C)C)cc1 1862546147 QTSCCCVZHNHEMF-XDHUDOTRSA-N 432.564 5.008 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(F)cc1F 1862616068 PQJLNKZOEDPRLZ-NRFANRHFSA-N 427.491 5.641 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)OCO3)=C(O)C(=O)N1[C@@H](C)c1ccccc1 1862625792 NTKBYBDXQXSSQM-BXKMTCNYSA-N 441.483 5.063 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862678842 SRUZJQJYDTWIGO-AVRWGWEMSA-N 443.518 6.289 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC(C)C)cc1 1862679639 ITUXZZLLYWIHTI-QHCPKHFHSA-N 438.543 5.296 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1[C@@H](C)c1ccccc1 1862713830 XXRBBBXVDFBVBM-CCLHPLFOSA-N 447.534 6.488 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862728027 RKLCRTITOIWUCC-QHCPKHFHSA-N 442.471 5.249 30 10 IKEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2ccccc2)cc1 1862731001 KBIDKHXWPWWBRO-NLFFAJNJSA-N 449.591 6.413 30 10 IKEE Cc1ccc(C)c(NC2=C(c3cccc4ccccc34)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1862850263 PQDSCRGMRQBOFA-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE CCCCc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccccc3F)C2=O)cc1 1862918865 JRSIXJIGAVSCLF-UHFFFAOYSA-N 439.490 5.437 30 10 IKEE Cc1ccc(-c2nc(Nc3cccc(C#N)c3)cc(N3CCc4ccc([N+](=O)[O-])cc43)n2)cc1 1868312935 RYDNBKMOVSYIIU-UHFFFAOYSA-N 448.486 5.670 30 10 IKEE C=CCN(CC=C)c1cc(N(C)c2ccc(OC)c(OC)c2)nc(-c2ccc(F)cc2)n1 1869278971 HCCYWFBANITJAN-UHFFFAOYSA-N 434.515 5.246 30 10 IKEE C=CCn1cc(OCCCCOc2ccc(C)cc2)c(=O)cc1CSCc1ccccc1 1870225224 LYWQZHHUYVBURY-UHFFFAOYSA-N 449.616 6.014 30 10 IKEE CCCCCCCCn1cc(OCCCCOc2ccccc2C)c(=O)cc1CN(C)C 1870322954 RWXVAGMGKAWICM-UHFFFAOYSA-N 442.644 5.817 30 10 IKEE C=CCn1cc(OCC=C(C)C)c(=O)cc1CNc1cccc(OCc2ccccc2)c1 1871058529 DNFVERVVFQVGAC-UHFFFAOYSA-N 430.548 5.570 30 10 IKEE C=CCn1cc(OCc2ccccc2C)c(=O)cc1CNc1ccc(N(CC)CC)cc1 1871079307 FCPZKKINKRGCCE-UHFFFAOYSA-N 431.580 5.380 30 10 IKEE C=CCn1cc(OCc2ccccc2Cl)c(=O)cc1CNc1ccc(OC)c(Cl)c1 1871241934 HLMKISLTMRGYLA-UHFFFAOYSA-N 445.346 5.541 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1cccc(Cl)c1)O3)CN(Cc1ccccc1F)CO2 1871346831 AONYZMMFDMYKGW-JJFYIABZSA-N 435.882 5.756 30 10 IKEE CC[C@@H](C)N1COc2cc(C)c3c(c2C1)O/C(=C\c1cc(Cl)cc2c1OCOC2)C3=O 1871351999 LJLGYSICMHSHBX-CJGNEJFASA-N 441.911 5.082 30 10 IKEE Cc1c(OC(=O)c2cccc([N+](=O)[O-])c2)ccc2c1O/C(=C\c1ccccc1Cl)C2=O 1871374140 SXLBDYWUZJJEPZ-NDENLUEZSA-N 435.819 5.392 30 10 IKEE Cc1cc(OC(=O)Cc2cc(Cl)ccc2Cl)cc2c1C(=O)/C(=C/c1cccnc1)O2 1871376734 VIMQEAQIUGOKEP-ZBKNUEDVSA-N 440.282 5.461 30 10 IKEE Cc1c(OC(=O)c2cccc(OCC(C)C)c2)ccc2c1O/C(=C\c1ccncc1)C2=O 1871380985 HTVQYRIKJUBDRF-QRVIBDJDSA-N 429.472 5.260 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCCCOc4cccc(C)c4)cc(C)c3C2=O)cc1 1871405013 KYRMLQLPVNKDOO-ONUIUJJFSA-N 444.527 6.166 30 10 IKEE Cc1cccc(OCCOc2cc(C)c3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)c1 1871407410 MXDAEMYLTZIPIH-UCQKPKSFSA-N 431.444 5.286 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 1871409132 XXLHVEPYJNYCGC-SUVVMJBMSA-N 431.463 5.465 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871411228 GYKWPKZENHTEGD-YNJLWJOVSA-N 443.499 5.334 30 10 IKEE Cc1cc(OCC(=O)N[C@H](C)c2ccccc2)cc2c1C(=O)/C(=C/c1ccccc1F)O2 1871424437 JOVJSRJEIMMPGC-SUVVMJBMSA-N 431.463 5.007 30 10 IKEE CC(=O)c1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 1871441967 SWBWRJOECXXAJP-OBJYXWAWSA-N 439.467 5.079 30 10 IKEE CCN(CC)CCOc1ccc2c(c1C)O/C(=C\c1ccc(Br)cc1)C2=O 1871451575 CGEPEAWDONYJSH-ZHZULCJRSA-N 430.342 5.094 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1cccs1 1871820691 BWFJIYZKPLKRNY-OAQYLSRUSA-N 448.654 5.465 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)c(C)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1871912412 VMXCZNHHDPBXIX-GAJHUEQPSA-N 446.588 5.063 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)cc1C)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872519084 AYUJJZPXSXTQHH-DEOSSOPVSA-N 442.625 5.150 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@H](C)CC 1872613327 OLLXCILEBIHQIU-WIYYLYMNSA-N 445.069 5.290 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(Br)c3)n2)cc1 1872768144 KPGABXCDWNQTSX-KRWDZBQOSA-N 427.323 5.461 30 10 IKEE Cc1ccc(C)c(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)c1C 1872773708 VRTJDHXZXBSLFL-OAQYLSRUSA-N 432.589 6.288 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)Cc3ccc(F)cc3F)n2)cc1C(C)C 1872779071 AVMOKYFCSFANOO-IBGZPJMESA-N 440.515 5.948 30 10 IKEE N#C[C@H](C(=O)/C=C/c1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(F)c(F)c2)cs1 1872779530 LTDRVMVISQZFCZ-ZABGRMTBSA-N 435.282 6.285 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@H](C#N)C(=O)c2cccc3ccccc23)n1 1872786807 STDTXWIRGUCGPN-LJQANCHMSA-N 432.932 6.424 30 10 IKEE CCCCCCCCCCNC(=O)c1cccc(COc2cc(Cl)cc(Cl)c2)c1 1872842576 BIGIREBLQAFPRQ-UHFFFAOYSA-N 436.423 7.443 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccccc1CC)n2CCCC 1873621445 RBCIPWAFQAPRQI-UHFFFAOYSA-N 449.643 6.819 30 10 IKEE C=CCSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1ccccc1OC 1874226592 RXPWFRLWQFEQGC-KOEQRZSOSA-N 436.581 5.075 30 10 IKEE Cc1ccsc1/C=N/n1c(Cc2ccccc2[N+](=O)[O-])nnc1SCc1ccccc1 1874297343 WQIDPKXQLRWLFT-OEAKJJBVSA-N 449.561 5.322 30 10 IKEE Cc1ccc(CSc2nnc(COc3cccc(C)c3C)n2/N=C/c2cccnc2)cc1 1874322495 TXHUUNYUVKTAHV-JFLMPSFJSA-N 443.576 5.352 30 10 IKEE Cc1ccc(/C=N/n2c(COCc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 1874353165 VLWPQQOWIKORPQ-JFLMPSFJSA-N 446.551 5.617 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2cccc(F)c2)cc1C 1874357316 AJGPBPUIOLEHGL-LQKURTRISA-N 444.579 6.108 30 10 IKEE C(=N/n1c(COc2ccccc2)nnc1SCc1cccc2ccccc12)\c1ccco1 1874385439 PGUVMTUWAOZJEJ-WGOQTCKBSA-N 440.528 5.778 30 10 IKEE Clc1ccc(CSc2nnc([C@H]3CCCO3)n2/N=C/c2ccccc2Cl)cc1 1874450979 OZBFJWQJFLZDDC-BYWZACNXSA-N 433.364 5.611 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCc3ccccc3C)nnc2C(F)(F)F)cc1 1874458521 SJKOFUGYVWRNMD-VULFUBBASA-N 448.514 5.959 30 10 IKEE Fc1cccc(CSc2nnc(C(F)(F)F)n2/N=C/c2c(F)cccc2Cl)c1 1874460808 HHOSBNYKUHYHPM-KTZMUZOWSA-N 432.805 5.403 30 10 IKEE COc1cccc(/C=N/n2c(CC(C)C)nnc2SCc2cccc(Cl)c2)c1OC 1874491174 CUBJTIFSTPPCGL-ZMOGYAJESA-N 444.988 5.322 30 10 IKEE COCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1c(F)cccc1Cl 1874505637 QUOCTINIGBHCRI-LIMNOBDPSA-N 443.306 5.184 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(SCc2ccc([N+](=O)[O-])cc2)nnc1C(C)C 1874512200 LYFZIEWFOKACIJ-YDZHTSKRSA-N 439.541 5.271 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)OCCC)cc1 1874584405 MWLUTUWGILPUBO-OBGWFSINSA-N 438.564 6.264 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1OCCc1ccccc1 1874591557 RAXBWYROYOPPAJ-JLHYYAGUSA-N 427.327 6.520 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OCc1c(F)cccc1Cl 1874612187 HBKVFCAYTRFJNV-PKNBQFBNSA-N 445.317 7.006 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 1874620371 WUNHEGOZRDYSQA-JXMROGBWSA-N 440.898 6.280 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 1874622184 QDYPRISQCKGHRO-OVCLIPMQSA-N 441.571 6.515 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)c(OC)cc2OC)cc(Cl)c1OCC 1874631442 BTINPEKFDAYSDS-BQYQJAHWSA-N 425.308 5.704 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)ccc1OCc1cccc(C)c1 1874637755 PYMKKIWRZKYGNO-ZRDIBKRKSA-N 430.544 6.494 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 1874639244 PPMKZCGCEQRNFK-RMKNXTFCSA-N 447.745 7.131 30 10 IKEE O=C(Oc1cccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(Cl)cc1 1874695806 SXXUVCXYQXLDQB-NYYWCZLTSA-N 431.702 6.762 30 10 IKEE CCc1ccc(CCC(=O)Oc2cc(/C=C/C(=O)c3ccccc3OC)ccc2OC)cc1 1874698901 SOVQILMZUSPWTL-DTQAZKPQSA-N 444.527 5.701 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2cccc(/C=C/C(=O)c3cc(C(C)(C)C)ccc3C)c2)c1 1874715879 PZYBPIIZNDKFHF-ACCUITESSA-N 426.556 7.025 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc(OC)c1OC(=O)c1ccncc1 1875108758 FAPYFQAGZXKVHI-VQHVLOKHSA-N 443.499 5.251 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)c1cccc(Cl)c1 1875129229 QJQMKTILQHMCGD-BUHFOSPRSA-N 432.903 6.192 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)C(C)(C)C)c(OCC)c2)cc1 1875130554 VTLCJGCZTNNSNV-MDWZMJQESA-N 430.928 5.985 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)CCOc3ccccc3)c([N+](=O)[O-])c2)c1 1875139498 LOKFZNXFNCTGPO-ZRDIBKRKSA-N 445.471 5.482 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2Br)cc1)c1ccc(F)cc1 1875157871 SIOHCOZGICTWFM-VGOFMYFVSA-N 425.253 5.704 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2ccc(C)cc2)c(Cl)c1 1875170816 RFKWOPHNOFAUPY-PKNBQFBNSA-N 448.946 6.318 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1C 1875175689 BFEWPSZUYCRURZ-MKMNVTDBSA-N 435.317 6.181 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc(OC)c1OC(=O)C(C)(C)C 1875181883 BISREWAEGDZBPE-CMDGGOBGSA-N 446.927 5.522 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(/C=C/C(=O)c3c(C)cc(C)cc3C)cc2)CC1 1875182436 DATKOXJSRXKTOE-SFQUDFHCSA-N 432.604 7.410 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)c1ccccn1 1875183775 RRPGRBPYBOHULL-VAWYXSNFSA-N 441.527 5.859 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3cncc(C)c3)c(Cl)c2)cc1C 1875187496 BXXQURHABOGNHR-FNORWQNLSA-N 435.907 5.784 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2cccs2)c([N+](=O)[O-])c1 1875193530 NWCPBGTYWIPUEO-QPJJXVBHSA-N 443.864 5.434 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N1C[C@H](C)O[C@@H](C)C1)n2CC 1875201865 ZBAQJRUDXGCFIX-PMACEKPBSA-N 443.636 5.253 30 10 IKEE N#Cc1cccc(NC(=O)c2ccc(C3CCN(C(=O)OCc4ccccc4)CC3)cc2)c1 1892393940 LPLNIFWYLLLHAE-UHFFFAOYSA-N 439.515 5.327 30 10 IKEE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(CC#N)cc1 1901534558 KORZIBWHGXDQJE-VWLOTQADSA-N 439.515 5.008 30 10 IKEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN(Cc1ccccc1)Cc1cccs1 1915409738 GQAHQKLZSLIBPO-UHFFFAOYSA-N 433.426 5.558 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CN(C(=O)OC(C)(C)C)CCC12CCC2 1922087498 ZAYQBLPHZOEXGP-RPWUZVMVSA-N 442.644 5.555 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1ccc(CN(C)C(=O)OC(C)(C)C)cc1 1922102287 GKTHPJWXVUMDQI-RUZDIDTESA-N 438.612 5.867 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1ccccc1CCN(C)C(=O)OC(C)(C)C 1922125773 PMCVVBMCVRCMMA-RUZDIDTESA-N 438.612 5.520 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@](C#N)(N(CC1CC1)C(=O)OC(C)(C)C)C2 1949540511 RYIMVZXNWLBTNK-DEOSSOPVSA-N 433.593 5.097 30 10 IKEE C#CCC1(NC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](C)CC)CCC1 1984779079 OWKVSELMIWVISV-KBMIEXCESA-N 444.575 5.002 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 1993189115 OUULTTYMOJVMBT-CRAIPNDOSA-N 435.952 5.231 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCC[C@@H]2CNC(=O)OC(C)(C)C)c1 2032225066 PRPIDEWNDDIFFG-OSPHWJPCSA-N 445.560 5.024 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CC(C)(C)[C@H]1OCc1ccccc1 2038724282 ITHVKMFFIVIHCS-ATIYNZHBSA-N 436.552 5.714 30 10 IKEE Cc1ccc([C@@H](n2nc(C(F)F)c(C#N)c2I)C(C)(C)C)c(F)c1 2079136860 DQAKJDLUUUNSKN-CQSZACIVSA-N 447.242 5.380 30 10 IKEE Cc1cc(C)c([C@H](n2nc(C3CCC3)c(C=NO)c2Br)C(C)(C)C)c(C)c1 2080029847 FJHZBPJDHDUWMV-FQEVSTJZSA-N 432.406 6.282 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]([C@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 2082162549 SZXOUZLROOPOQW-GXYVPTEVSA-N 447.551 5.543 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Cl)c(Br)c1F 2097182888 ZIPGNFXPVBFMRB-PBHICJAKSA-N 449.792 5.752 30 10 IKEE CCCCCCC[C@@H](NCC)[C@@H](O)c1scc(Br)c1Br 2150562462 ASKVGSSQGJAFTJ-TZMCWYRMSA-N 427.246 5.645 30 10 IKEE C=C([C@@H](NCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)C(C)(C)C 2152976937 KYULJMWHRMGCRY-RTBURBONSA-N 439.438 5.465 30 10 IKEE CC(C)(C)OC(=O)N1CCc2ccc(Nc3cc(Br)cc(C#N)c3)cc2C1 2162416418 XRCHESPZYKBVRH-UHFFFAOYSA-N 428.330 5.358 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)[C@@H]1C[C@H]1C1CCOCC1 2200290299 CINLWTSECSKIBF-FRQCXROJSA-N 435.362 5.145 30 10 IKEE COc1cc(C)cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)c1 2201258121 URPYVIPFGCVWKX-IBGZPJMESA-N 431.330 5.773 30 10 IKEE C=CCC1(NCc2sc(C)c(Br)c2C)CCN(C(=O)OC(C)(C)C)CC1 2226508320 XXCJGRPELFTFPX-UHFFFAOYSA-N 443.451 5.563 30 10 IKEE C=C(COCc1ccccc1)[C@H](CN(CC1CCCCC1)C(=O)OC(C)(C)C)NCCC 2259738899 YZTLOHAZHSKWFR-VWLOTQADSA-N 444.660 5.945 30 10 IKEE CC(C)(C)OC(=O)N1CCC(C(C)(C)C(=O)C#Cc2cccc(Br)c2)CC1 2296228826 CQQCGRWUKSCWSN-UHFFFAOYSA-N 434.374 5.043 30 10 IKEE COc1cccc(NC(=O)OC(C)(C)C)c1C(=O)C#Cc1ccc(Br)cc1 2296291589 QFJGDNNXZRGDIR-UHFFFAOYSA-N 430.298 5.039 30 10 IKEE CCCCN=C1Sc2nc3cc4c(cc3cc2CN1Cc1ccc(OC)cc1)OCO4 2297553878 XHSXYDQNMFBYDI-UHFFFAOYSA-N 435.549 5.236 30 10 IKEE O=C1NC(=Nc2ccccc2)SC1=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 2313507510 QOZRVZAIUBCNLW-UHFFFAOYSA-N 425.853 5.400 30 10 IKEE COC(=O)c1ccc(-c2ccc(C=C3SC(=Nc4ccc(F)cc4)NC3=O)o2)c(C)c1 2313557825 MUHUQPFSPMHKBP-UHFFFAOYSA-N 436.464 5.072 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCCC)c2cccc(OCc3ccccc3)c2)C1 2314445677 SAVIPMRGEBUNRJ-DEOSSOPVSA-N 436.596 5.920 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cccc(OCc2ccccc2)c1 2314467410 OMNHGVQTFMNRPZ-LOSJGSFVSA-N 436.596 5.613 30 10 IKEE O=C1NC(=Nc2ccc(Cl)cc2)C(=Cc2ccc(-c3nc4ccccc4s3)o2)S1 2314487864 TVKKFCBPPLYVPJ-UHFFFAOYSA-N 437.933 6.737 30 10 IKEE CCCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(Br)cc1)C3=O 2322051013 NPTYRDUDRFPODT-UHFFFAOYSA-N 442.353 5.716 30 10 IKEE O=C1C(=Cc2ccc([N+](=O)[O-])cc2)Oc2c1ccc1c2CN(C2CCCCCCC2)CO1 2322177617 SSUQVIZYCVELCH-UHFFFAOYSA-N 434.492 5.476 30 10 IKEE COc1ccc(CCN2COc3c(cc4c(c3C)OC(=Cc3ccccc3C)C4=O)C2)cc1 2322290810 MMWWDDUPIOTMJX-UHFFFAOYSA-N 441.527 5.323 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1cn(C)c4ccccc14)C3=O)CN(Cc1cccs1)CO2 2322308012 YZQUWAQLJWUGIV-UHFFFAOYSA-N 442.540 5.517 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1c(F)cccc1Cl)C3=O)CN(Cc1cccnc1)CO2 2322312095 MHYMUHOIJWWDMN-UHFFFAOYSA-N 436.870 5.151 30 10 IKEE CCCCC[C@@H](CC)N1COc2c(cc3c(c2C)OC(=Cc2ccc4c(c2)OCO4)C3=O)C1 2322356677 AAHBPPKJTHZNDZ-HXUWFJFHSA-N 449.547 5.851 30 10 IKEE Cc1ccc(C=C2Oc3c(cc4c(c3C)OCN(C35CC6CC(CC(C6)C3)C5)C4)C2=O)cc1 2322437130 QLEKSJXGSOGMRJ-UHFFFAOYSA-N 441.571 6.040 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C)cc2C)c1OCC(=O)Nc1ccc(C)c(C)c1 2322579896 TXMOMCIAPOUBSA-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCc2ccc(Cl)cc2Cl)cc1F 2322703710 QPVJCRIPZSWDLY-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE COc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cn(C)c4ccccc24)C3=O)c1 2322722501 SELJJCXRBWBRPL-UHFFFAOYSA-N 439.467 5.331 30 10 IKEE CCN(CC)C(=O)COc1ccc(Cl)cc1C=CC(=O)c1cc(Cl)ccc1OC 2323022894 ZTFFJUIZLAXNAE-UHFFFAOYSA-N 436.335 5.145 30 10 IKEE Cc1cc(OC(=O)c2ccc(Cl)c(Cl)c2)cc2c1C(=O)C(=Cc1cccc(F)c1)O2 2323259463 KSHZKPBZEYUNCB-UHFFFAOYSA-N 443.257 6.276 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(CC)cc2)cc(OC)c1OCc1ccccc1F 2323482776 HSUMMAVTCGQTBN-UHFFFAOYSA-N 430.519 6.600 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3c(F)cccc3Cl)c(Cl)c2)cc1C 2323561435 REMDWZSAIHJKCX-UHFFFAOYSA-N 445.317 6.925 30 10 IKEE CCCCCCCCCCN1C(=O)C(=Cc2ccc(C(F)(F)F)cc2)SC1=S 2323720927 VAXATRPNKFEYMV-UHFFFAOYSA-N 429.573 7.047 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2OC)C3=O)c1 2323832155 QULTZFOIGGUKMN-UHFFFAOYSA-N 430.456 5.319 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCc3cccc(Cl)c3)c(OC)c2)cc1 2323936918 DRKLCHDUISHQLF-UHFFFAOYSA-N 436.935 6.613 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OCc1ccccc1 2324234527 CTOKDMYJEZFWPP-UHFFFAOYSA-N 430.544 6.476 30 10 IKEE COc1ccccc1C=C1Oc2cc(O[C@H](C)C(=O)Nc3cc(C)ccc3C)ccc2C1=O 2324455515 IJHAFBMKZBJRTM-GOSISDBHSA-N 443.499 5.334 30 10 IKEE CCCOc1c(Cl)cc(C=CC(=O)c2ccc(OCC)cc2OCC)cc1OCC 2324494456 LUNLKWXEVXGABD-UHFFFAOYSA-N 432.944 6.221 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)ccc1OCc1cc(C)ccc1C 2324672597 CKOMLRQPIWPDOM-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE COc1ccc(C)cc1NC(=O)COc1ccc2c(c1C)OC(=Cc1cccc(C)c1)C2=O 2325119189 PSOSLYQCDWYVCK-UHFFFAOYSA-N 443.499 5.254 30 10 IKEE Cc1cc(OCc2cccc3ccccc23)cc2c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O2 2325279426 SYEFULKISPGYLC-UHFFFAOYSA-N 448.562 7.641 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3)n2N=Cc2ccccc2C)c1 2325448878 BOTVDVXOBZOGOY-UHFFFAOYSA-N 440.616 6.163 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1N=Cc1ccc(OCC)c(OCC)c1 2325514083 AFIVYJOWDMDZHJ-UHFFFAOYSA-N 438.597 5.593 30 10 IKEE CCCOc1cccc(C=Nn2c(CC)nnc2SCc2c(F)cccc2Cl)c1 2325610779 ZVVQMWBVBSEXDX-UHFFFAOYSA-N 432.952 5.596 30 10 IKEE COc1ccccc1OCC(=O)Oc1cccc(C=CC(=O)c2ccc3ccccc3c2)c1 2325700500 GKNRJFLPYNSJAK-UHFFFAOYSA-N 438.479 5.729 30 10 IKEE COc1cccc(OCC(=O)Oc2cc(C=CC(=O)c3ccc(C)cc3C)ccc2OC)c1 2325735731 VAKFJJBAIDLGQU-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OC(=O)c1ccc2c(c1)OCO2 2325750409 NHZZHLHWYCOKCQ-UHFFFAOYSA-N 444.483 5.663 30 10 IKEE C=CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccc(C)cc1 2326136980 SQCGZNPQHASXRS-UHFFFAOYSA-N 426.973 5.596 30 10 IKEE CC(C)Oc1cccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2)c1 2326231948 XGNBMPDYCSDYMX-UHFFFAOYSA-N 442.588 5.831 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(OC(C)(C)C)cc1 2326637658 QETQFTFNXWEWKL-UHFFFAOYSA-N 444.604 6.346 30 10 IKEE C=C(C)CSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1cccc(Cl)c1 2327001019 VLECFSVJYGCAHZ-UHFFFAOYSA-N 441.000 5.802 30 10 IKEE CCOc1ccc(Cc2nnc(SCC)n2N=Cc2c(Cl)cccc2Cl)cc1 2328566295 LKZJMBVXKCUNPH-UHFFFAOYSA-N 435.380 5.569 30 10 IKEE C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1CCC2=NN=CC=Cc1ccc([N+](=O)[O-])cc1 2328661857 PZDUXRAQOKZFJJ-WPOXTWMDSA-N 447.623 7.468 30 10 IKEE Fc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2ccccc2F)cc1 2329846284 ZPDWMLHUIGLGPE-UHFFFAOYSA-N 434.515 5.364 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccccc3)nnc2[C@@H](C)c2ccccc2)cc1 2330108489 NGYASLBBODVZIV-FQEVSTJZSA-N 442.588 6.003 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@H](C)c3ccccc3)n2N=Cc2ccc(F)cc2)c1 2330109713 TUSBETCGIWSJMB-HXUWFJFHSA-N 444.579 6.360 30 10 IKEE Cc1cccc(CSc2nnc(CC3CCCCC3)n2N=Cc2c[nH]c3ccccc23)c1 2330249268 PEAMWGHJXJIEBO-UHFFFAOYSA-N 443.620 6.365 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(CCCC)cc2)cc(OC)c1OC(=O)CC(C)C 2330845004 NKRJOYWMQGEZQH-UHFFFAOYSA-N 434.576 6.614 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OC(=O)c1cccc(Cl)c1 2331101211 AMIHNFQYMKYFNC-UHFFFAOYSA-N 442.845 6.132 30 10 IKEE CSc1nnc(C(F)(F)F)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2331104254 WMDCMRBWUIZURW-UHFFFAOYSA-N 426.851 5.133 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2N=Cc2ccccc2C)cc1 2331182908 IATXTGOSXKKLDB-UHFFFAOYSA-N 445.548 5.022 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccc(CC)cc2)n1N=Cc1ccc(CC)cc1 2331326367 ZQSWJVDFSAGWMJ-UHFFFAOYSA-N 449.624 5.359 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)COc2c(C)cccc2C)cc1 2331352203 RVUQPUGQEXQYAL-UHFFFAOYSA-N 430.500 5.501 30 10 IKEE CC(C)c1nnc(SCc2cccc(F)c2)n1N=Cc1cc(Br)ccc1O 2331687926 BQDIWENLPZSFGH-UHFFFAOYSA-N 449.349 5.183 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)cc2)c(C)c1 2331764612 RIRCAWMMTBUBKJ-UHFFFAOYSA-N 428.572 6.630 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)[C@H]1CCCO1 2331770785 CDNJEGSTUVDCAK-OAQYLSRUSA-N 442.939 5.644 30 10 IKEE C=CCC(CC=C)[C@@H](NCC)c1cc(Br)ccc1I 2338742067 SRKOFZUWBYJGDM-MRXNPFEDSA-N 434.159 5.473 30 10 IKEE C[C@H](CCCNC(=O)OC(C)(C)C)COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339596591 KYHSIDYBPRZAEY-GOSISDBHSA-N 446.397 5.046 30 10 IKEE Cc1ccc(Nc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)c(Br)c1C 2364911248 GFIMNZXLIUIOJZ-UHFFFAOYSA-N 437.574 5.157 30 10 IKEE FC(F)(F)c1cccc(/N=C/c2c(Sc3ccc(Cl)cc3)nc3sccn23)c1 1035794 QYOGQHJBSMLSAT-BHGWPJFGSA-N 437.899 6.970 30 10 IKEE CCCOc1ccc(/C=N\n2c(C)nnc2SCc2ccc(Br)cc2)cc1 2611458 DMTFRPCIAFTORG-XKZIYDEJSA-N 445.386 5.312 30 10 IKEE COc1ccc(Oc2cccc3c2C(=O)/C(=C/c2ccc(F)cc2)[C@@H]3c2ccccc2)cc1 3133489 DBZUMVUNZTXCPW-NTWBUQQASA-N 436.482 7.038 30 10 IKEE O=C(/C=C\Nc1ccc(I)cc1)c1cnc(-c2ccccc2)s1 8781982 NXDDUILOTWHCFG-KHPPLWFESA-N 432.286 5.223 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c(C)cc(C)cc1C)N2 14457851 OQSPCMZGJHCODQ-QHWMMSMNSA-N 448.632 5.801 30 10 IKEE C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(NC=C2C(=O)CC(C)(C)CC2=O)cc1 20119041 AMUYVJPJYTVOPY-OAHLLOKOSA-N 440.927 5.000 30 10 IKEE CCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OCC(C)C)cc2)C3)cc1 20885956 HTTOMADLMMCEBC-NFBKMPQASA-N 433.548 5.124 30 10 IKEE O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@H](c1c(F)cccc1Cl)Nc1ccccc1N2 21258427 HDCLNFPEROVSAP-MQNRADLISA-N 436.889 6.598 30 10 IKEE C=CCN(CC(=O)N1N=C(c2ccc(C)cc2C)C[C@H]1c1ccc(C)cc1)C1CCCC1 36342502 QXKLBYOKTHZJST-MHZLTWQESA-N 429.608 5.720 30 10 IKEE C[C@H]1CCc2c(C#N)c(NC(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)sc(=S)c2C1 41017934 RBJBHXORDYBTEH-GJZGRUSLSA-N 440.634 6.178 30 10 IKEE Cn1ccnc1Sc1ccc(/C=N/c2ccc3c(c2)oc2ccccc23)cc1[N+](=O)[O-] 59462454 DUUCXYMPAYSPLO-AFUMVMLFSA-N 428.473 6.130 30 10 IKEE CCCCCCCCCCCCCCCCCCNC(=O)N[C@H]1C=CS(=O)(=O)C1 59568203 VKMHLLWAKCBRPO-QFIPXVFZSA-N 428.683 5.858 30 10 IKEE CCCCCCCC(=O)NC(=S)Nc1cccc(C(=O)N[C@H](C)c2ccccc2)c1 59854540 NZFZOVLIZPCLQF-GOSISDBHSA-N 425.598 5.351 30 10 IKEE Cc1sc2ncnc(NCCCC(=O)Nc3cccc(C#N)c3)c2c1-c1ccccc1 71529303 ZDFZUBFQLGFEBG-UHFFFAOYSA-N 427.533 5.369 30 10 IKEE CCc1ccccc1N=C1S/C(=C\c2ccc(O)c(O)c2)C(=O)N1c1ccccc1CC 83313489 FAEGEQUQYWQHDI-GCNWNYGFSA-N 444.556 6.031 30 10 IKEE CCCCCCCCOc1ccc(/C=C2\N=C(c3ccc(OC)c(OC)c3)OC2=O)cc1 97997921 DCYBJPHMUGGQAJ-XLNRJJMWSA-N 437.536 5.788 30 10 IKEE biogenic CCCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccccc1OC 100462040 ZQAMPHXVRDNDIU-UHFFFAOYSA-N 445.732 9.456 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)S/C1=N\c1ccc(C)c(C)c1 101026872 OVQFSPIYGSAIGZ-WBYAUDGUSA-N 446.528 5.886 30 10 IKEE Cc1ccc2nc(N3C(=O)C(=O)/C(=C(\O)c4ccccc4)[C@@H]3c3ccc(F)cc3)sc2c1 102507229 XXNYGLZRWUNMGI-AGGMBTAESA-N 444.487 5.370 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1c1cccc(C)c1 169941750 OBKAPNVKDOZFQZ-SANMLTNESA-N 449.506 5.940 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@H]2c2ccc(O)cc2)cc1 169959389 YTZDVZHUBMWKPW-DEOSSOPVSA-N 443.499 5.136 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccc(O)cc2)cc1C 169961441 VQCMSYQNVOFDFZ-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2cccc(C)c2)c(C)c1 169968250 XBOIKRMIIAMKRR-QHCPKHFHSA-N 449.453 5.373 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccc(Cl)cc2)c1 169969750 IAKBKDFHXOCZBD-NRFANRHFSA-N 438.310 6.085 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1cccc(C)c1 169972514 KBTBXRRZKLTXOJ-XMMPIXPASA-N 445.490 5.230 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2cccs2)c1 169982009 JJJFPAGORDPWLK-GOSISDBHSA-N 440.546 5.003 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccccn1 169993980 YYVLTQMVCNREAM-QFIPXVFZSA-N 444.874 5.573 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2cccc(C)c2)c1 170035579 KRTYXXKSFLWKGW-XMMPIXPASA-N 443.499 5.185 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc3c(c2)OCO3)=C(c2ccc(C)cc2C)C1=O 170095035 TWDOXNYANMNUGI-UHFFFAOYSA-N 448.563 5.585 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(O)cc2)cc1Cl 170133060 FHPXRNUBBDGDDS-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2cccs2)c1C 170158811 GYZNULBAGMFGMP-XMMPIXPASA-N 439.536 6.301 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccccn2)cc1 170172835 UXZJJMPQGMVMHH-DEOSSOPVSA-N 442.515 5.270 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccn2)cc1 170178024 ZZISZMPNBGFGQO-QHCPKHFHSA-N 446.503 5.022 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2cccnc2)cc1C 170184239 YGHGTEGSYITCAQ-QHCPKHFHSA-N 446.478 5.101 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccncc2)cc1C(C)C 170206259 QUKBIUKMDBMOQR-XMMPIXPASA-N 442.515 5.305 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccccc2)c1 170228517 MJGVFGKLULHITH-QFIPXVFZSA-N 444.874 5.003 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@H]1c1ccc(Cl)cc1 170236306 WAXHCULFLDKKMJ-OAQYLSRUSA-N 441.955 5.634 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccco2)cc1C 170285108 JXGXJHWEPLVDJN-WAIKUNEKSA-N 429.472 5.003 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)[C@H]2c2ccco2)cc1C 170285118 VJFZOJGKTYRPRR-JOCHJYFZSA-N 447.874 6.079 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccc(C)o2)c1 170297825 FCONOQUHOMSUHN-DEOSSOPVSA-N 439.467 5.533 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccc(C)o2)c(OC)c1 170302033 MTHGIWCHCDMOKE-QHCPKHFHSA-N 447.487 5.005 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCC)c1 170323567 YVGDOMDWHQHIBQ-XMMPIXPASA-N 433.548 5.343 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)[C@H]1c1ccccc1F)c1ccco1 170382529 BPKWZRYASXHUJS-SFHVURJKSA-N 431.341 5.220 30 10 IKEE COc1ccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2cc(Cl)ccc2C)cc1OC 170434449 DAVGWUIWNPQYKX-QFIPXVFZSA-N 443.927 5.181 30 10 IKEE Cc1oc(NC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)c(C#N)c1C 170528139 ASTUZQPGULOZBK-UHFFFAOYSA-N 433.346 5.626 30 10 IKEE Cc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1B1OC(C)(C)C(C)(C)O1 196162381 MBGOKTANAMDPCL-UHFFFAOYSA-N 439.670 5.219 30 10 IKEE CC(C)(C)c1ccc(/C=C2\S/C(=N\N=C/c3cccs3)N(Cc3ccco3)C2=O)cc1 210559379 OMLNVWQJWLTZNF-IRQPWQSJSA-N 449.601 6.145 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(N(CC)CC)cc1)N2 226715496 CYQPRXLJKOIFKT-UWPQIUOOSA-N 432.652 7.709 30 10 IKEE CC[C@H](C)Oc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 253573197 RDMIUSADMAGBOC-REZFCLSBSA-N 438.571 6.843 30 10 IKEE Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)ON=Cc1cccc([N+](=O)[O-])c1 254699885 QCJVGYXXCQENKL-UHFFFAOYSA-N 435.223 5.448 30 10 IKEE CC(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(OCCCCCC(C)C)cc1 254834225 VZPIYBMYVKNQKG-UHFFFAOYSA-N 428.489 5.934 30 10 IKEE c1ccc([C@@H]2CC(=NN=C3C[C@@H](c4ccccc4)Oc4ccccc43)c3ccccc3O2)cc1 254874431 YRRHIUDRTJZIPK-KYJUHHDHSA-N 444.534 6.928 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)c(Cl)c1F 407262092 RULVRPRSPBESJY-PBHICJAKSA-N 449.792 5.752 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2c(C)[nH]c3ccccc23)cc1 526515466 KFWXUJGOOWGEGF-AREMUKBSSA-N 449.510 5.804 30 10 IKEE COc1c(Cl)cc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccco2)cc1Cl 526521322 LRMHSLZCLBSJRE-IBGZPJMESA-N 441.270 5.524 30 10 IKEE Cc1cc(C)cc(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccccc2O)c1 526809754 SWAZIUNHAZUZKY-PKAZHMFMSA-N 442.588 5.560 30 10 IKEE CCCCOc1cccc(/C=N\n2c(CCC)nnc2SCc2ccc(C)cc2C)c1 526811364 IUPFYKZITCYQKO-ONUIUJJFSA-N 436.625 6.201 30 10 IKEE Oc1ccc2ccccc2c1/C=N\n1cnnc1SCc1ccc(Cl)c(Cl)c1 526813114 WGJJEADYOUDAQE-VROXFSQNSA-N 429.332 5.618 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1cccc(Cl)c1 526814209 HMEVTDBPSVCBJV-YVNNLAQVSA-N 425.772 5.975 30 10 IKEE CCCOc1ccccc1/C=N\n1c(C)nnc1SCc1ccc(Cl)c(Cl)c1 526815335 YMWDARPBFFYWJR-FMCGGJTJSA-N 435.380 5.857 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1c[nH]c2ccccc12 526818187 VNGPEGIJTQFTSB-ZMFRSBBQSA-N 441.963 6.069 30 10 IKEE CCOc1c(/C=N\n2c(C)nnc2SCc2cccc3ccccc23)cccc1OC 526821127 CCSVXWGBXWCOKP-MYYYXRDXSA-N 432.549 5.322 30 10 IKEE CCC[C@@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Br)CC1 698459177 VMSOQIONRIAHAG-VGSWGCGISA-N 435.406 6.833 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@H](C#N)c1ncc(Br)cc1Br 698827065 LNTIOJZSCDUAFZ-CYBMUJFWSA-N 447.171 5.064 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 698918886 TYEGYADYMSKNFL-DEOSSOPVSA-N 448.950 6.925 30 10 IKEE Cc1cc(Br)ccc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 698975856 AURQBUNBSJWNJN-SFHVURJKSA-N 435.749 6.417 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 724025252 DZYVKMYNHXIZNB-MZNJEOGPSA-N 445.560 5.166 30 10 IKEE O=C1/C(=C\c2ccc(N3CCCCC3)o2)SC(=Nc2ccccc2)N1C1CCCCC1 1084027232 AVFRQZBQMXLKRN-JRJJZIQSSA-N 435.593 6.207 30 10 IKEE N[C@H]1CCCC[C@@H]1NC(=Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCCC1 1088684133 BAQZJPVAGNWWNF-IRXDYDNUSA-N 436.444 5.057 30 10 IKEE CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C[C@@H]([C@H](C)[N+](=O)[O-])[C@@H](C(C)=NO)[C@@]4(C)CC[C@H]32)C1 1565517365 VOETZVYTDQTIBX-WRFNCRETSA-N 446.588 5.239 30 10 IKEE Cc1cc(Cl)ccc1NC(=O)[C@@]12CC[C@@](C)(C(=NOC(=O)c3ccccc3)C1)C2(C)C 1772722760 SIFLQCWNGLPFSO-LOSJGSFVSA-N 438.955 6.016 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(OCc3ccc(C)cc3)cc2)SC1=Nc1nccs1 1772736328 KAHRAFWEXDFVPA-SKYIDQJDSA-N 435.574 5.654 30 10 IKEE CC(C)(C)c1ccc(NC(=O)c2nc(C(=O)Nc3cccc(C#N)c3)n3ccccc23)cc1 1858242127 QPHFBROBUMVSCU-UHFFFAOYSA-N 437.503 5.008 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1c(Cl)cccc1Cl 1862451429 FWWMVAXTSVQAGF-SFHVURJKSA-N 438.738 5.881 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 1862471499 NJLQQYUSILQABL-LJQANCHMSA-N 442.353 5.345 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@@H](C)CC)cc1OCC 1862484502 OCZGADJYXVTZIL-SBUREZEXSA-N 437.536 5.169 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccc(F)cc2)cc1 1862490590 ZECZQJYGFYDJLB-DEOSSOPVSA-N 445.490 5.230 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCCCC2)cc1O 1862492344 PCVLZYHOTTXGNC-DEOSSOPVSA-N 449.547 5.319 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccccc2F)cc1 1862530004 MGYREGPUWFZEAI-QHCPKHFHSA-N 433.454 5.306 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(O)c(OC)c1 1862531198 IKQOYILILBSJKK-HSZRJFAPSA-N 437.536 5.122 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccc(Cl)c2)cc1 1862535758 KCOWTTZDYABHEP-JOCHJYFZSA-N 432.907 5.076 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(C(C)C)cc1 1862546504 YZXMPYUYOPUXQP-AREMUKBSSA-N 445.603 6.313 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(CC)cc1 1862556231 RJURHSHADPVEIV-VWNXMTODSA-N 434.580 5.768 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(OC)cc1 1862591664 LSXUOAJVRSQBMR-WMZHIEFXSA-N 437.536 5.338 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(O)c2)cc1 1862612861 BMVZDMSADPSGOK-QFIPXVFZSA-N 431.488 5.061 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2Cl)cc1 1862618798 YRXPGHJUMXYMSS-JOCHJYFZSA-N 437.967 6.158 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccc(C)cc2)cc1F 1862636220 BJSQRPYPBLVZER-OSPHWJPCSA-N 445.490 5.482 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1ccccc1Cl 1862640195 FPFFSVSUCFPRFC-OAQYLSRUSA-N 445.918 5.646 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1c(F)cccc1Cl 1862667219 VVYJQBJKVFELQV-QFIPXVFZSA-N 443.946 6.227 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 1862667994 OBXPIVBXSSPEBQ-FQEVSTJZSA-N 448.346 5.078 30 10 IKEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2)cc1 1862673621 FTKARQFLUHEDCP-MWTRTKDXSA-N 431.463 5.174 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccc(C)cc2)cc1 1862686882 FBARIKAYCPLOGQ-DEOSSOPVSA-N 433.548 5.695 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862701164 XOLZFJJZGQSMRH-DEOSSOPVSA-N 447.531 5.173 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(Cl)c3C)C(=O)N(c3ccccc3C#N)C2=O)cc1C 1862885439 UHQRQFSLQBJISM-UHFFFAOYSA-N 441.918 5.534 30 10 IKEE N#Cc1ccc(NC2=C(c3cc(Cl)ccc3Cl)C(=O)N(c3ccccc3)C2=O)cc1 1863011589 VUUQUAZPIUTOKA-UHFFFAOYSA-N 434.282 5.262 30 10 IKEE N#Cc1ccc(N2C(=O)C(Nc3ccc(Cl)c(Cl)c3)=C(c3cccs3)C2=O)cc1 1863110395 MPLADXYNQSZDQE-UHFFFAOYSA-N 440.311 5.323 30 10 IKEE CCCCCCCCNC1=C(c2cc(Cl)ccc2Cl)C(=O)N(CC(C)C)C1=O 1863728149 RUSCMVMWTFBVPN-UHFFFAOYSA-N 425.400 5.679 30 10 IKEE CC(C)Oc1ccc(/C=C(/C(=O)Nc2sc3c(c2C#N)CCCC3)c2ccccc2)cc1 1865905122 LMGHPTKMHYUOLC-XQNSMLJCSA-N 442.584 6.465 30 10 IKEE CC(C)[C@H](CC(=O)N[C@@H](C(=O)Nc1ccc(C#N)cc1)c1ccccc1)c1ccc(F)cc1 1866749753 YEOCBKRITZZTCS-AZGAKELHSA-N 443.522 5.323 30 10 IKEE C=CCn1cc(OCc2ccccc2F)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870231776 MHOXCDJFUVXOEO-UHFFFAOYSA-N 449.551 5.237 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCCCCCC)c(=O)cc1CSCC 1870253752 XRIGLFRIBKPVOF-UHFFFAOYSA-N 439.662 5.964 30 10 IKEE C=CCn1cc(OCCCOc2ccc(CC)cc2)c(=O)cc1CSc1ccccc1 1870267334 AFKBXIPZDWMRLM-UHFFFAOYSA-N 435.589 5.737 30 10 IKEE C=CCn1cc(OCCCCOc2ccccc2C)c(=O)cc1CN(CCC)CCCC 1870321820 LAQYZQWIYOXVKD-UHFFFAOYSA-N 440.628 5.593 30 10 IKEE CCCCCCCOc1cn(Cc2ccccn2)c(CNc2cccc(C)c2C)cc1=O 1870838011 KFMQSSRXINSUTL-UHFFFAOYSA-N 433.596 5.870 30 10 IKEE C#CCOc1cn(Cc2ccccc2Cl)c(CNc2cc(Cl)ccc2C)cc1=O 1871005595 OFCVCESKHGOIHE-UHFFFAOYSA-N 427.331 5.136 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)NC)c(=O)cc1CNc1ccc(C)cc1 1871017102 LQQJRAPRNXOCDN-UHFFFAOYSA-N 441.616 5.034 30 10 IKEE O=C1/C(=C/C=C/c2ccccc2)Oc2c1ccc1c2CN(Cc2cccc(Cl)c2)CO1 1871348005 KFUOJDNVKPOYQV-OVRLPHASSA-N 429.903 5.865 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(cc3c(c2C)OCN(Cc2cccc(Cl)c2)C3)C1=O 1871358840 CZMOGMNTCDVVNF-JMIUGGIZSA-N 437.948 5.987 30 10 IKEE CCOc1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccnc2)C3=O)cc1 1871380015 RTNUFBXTVHAWLX-LABNAMAPSA-N 427.456 5.024 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871382079 MEVDIZLURPUTJT-UUYOSTAYSA-N 434.831 5.101 30 10 IKEE Cc1cc(O)c(CN2CCOc3ccccc32)c2c1C(=O)/C(=C/C=C/c1ccccc1)O2 1871396094 NCRIHNVHODPNQQ-OBJYXWAWSA-N 425.484 5.272 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(C)o1)C2=O 1871403530 YNTDVQOTQJPTLO-PGECNJAHSA-N 431.488 5.481 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\C=C\c2ccccc2)C3=O)c(C)c1 1871418934 VEYIPNQOKULGNF-BDUSHXLBSA-N 439.511 5.802 30 10 IKEE CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccccc2)C3=O)c1 1871426762 YANKXPLSBHDKTN-SMNNTEATSA-N 441.483 5.220 30 10 IKEE CCOC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)o1 1871439414 YCUPRXUSAVAXCG-OYKKKHCWSA-N 446.499 5.949 30 10 IKEE N#C[C@@H](C(=O)c1cccc(Br)c1)c1nc(-c2ccc3ccccc3c2)cs1 1872760361 MRPWQPSKARZGTJ-IBGZPJMESA-N 433.330 6.216 30 10 IKEE C[C@H](c1ccccc1)N1C[C@@H](C(=O)[C@@H](C#N)c2nc(-c3ccccc3Cl)cs2)CC1=O 1872764237 IFDFNWHYPOGGGP-HHXXYDBFSA-N 449.963 5.249 30 10 IKEE N#C[C@H](C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872768845 DDICUFVBDYUOAE-WEJQMCOXSA-N 444.299 5.915 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@H](C#N)C(=O)/C=C/c2cccc([N+](=O)[O-])c2)n1 1872788832 RFVGAHVARUGGKU-QQOXCAACSA-N 439.880 5.270 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc2nc(COc3ccc(CCC)cc3)[nH]c2c1 1872810794 DGXVDMCGHPRYLP-UHFFFAOYSA-N 449.639 6.965 30 10 IKEE C=CCN1C(=O)C(Nc2cc(Cl)cc(Cl)c2)=C(c2cccc(Cl)c2Cl)C1=O 1873341859 TVYXEELEEFVCQA-UHFFFAOYSA-N 442.129 5.678 30 10 IKEE Cc1ccccc1COc1ccc(/C=N/Nc2oc([C@H]3C[C@H]3c3ccccc3)nc2C#N)cc1 1873470261 DMJQITRMLOZLON-JTYSEGSDSA-N 448.526 6.151 30 10 IKEE CCCCCCOc1ccc(N2CC(=O)C(c3nc(-c4ccccc4)c(C)s3)=C2N)cc1 1873527914 XQXRHVCAXORMPU-UHFFFAOYSA-N 447.604 5.794 30 10 IKEE N#Cc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(Cc3ccco3)C23CCCCC3)cc1 1873866578 BGVZKTUNIGYLRU-DEOSSOPVSA-N 439.515 5.232 30 10 IKEE CCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccc(C)cc1 1874192502 BXZFHDUJLIJTRU-MFKUBSTISA-N 443.016 5.863 30 10 IKEE Clc1cccc(CSc2nnc(CCc3cccs3)n2/N=C/c2ccc[nH]2)c1 1874374239 NKJMHJNULSMERS-YDZHTSKRSA-N 427.986 5.281 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3F)n2/N=C/c2ccccc2C)c1 1874375891 SKJPENMKAIBFMC-LQKURTRISA-N 444.579 6.108 30 10 IKEE Oc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2cccc(F)c2)cc1O 1874407454 YDWOISHZCMZMLO-AFUMVMLFSA-N 440.544 5.126 30 10 IKEE CCOc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCc2cccc(C)c2)cc1 1874410096 BXLHJNVSZDHDOH-PCLIKHOPSA-N 448.617 5.812 30 10 IKEE Fc1cccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2c[nH]c3ccccc23)c1 1874416038 VHPJWVGBTLYEOP-LQKURTRISA-N 441.535 5.664 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(CC(C)(C)C)n2/N=C/c2cccs2)c1C 1874436842 SFKWWCSJMZXXMX-YDZHTSKRSA-N 441.626 5.158 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCCc3ccccc3)nnc2[C@@H]2CCCO2)c1 1874448819 MMIICAXBENRUNJ-BOJFNEGLSA-N 436.581 5.135 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1c(F)cccc1Cl 1874478457 AUBWINHEIFERFV-WYMPLXKRSA-N 437.371 6.241 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(CCCC)nnc2SCCC)cc1OCC 1874478950 AORXIGXGDJXQEX-HKOYGPOVSA-N 432.634 5.973 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(SCc2ccc(C)cc2)nnc1C(C)(C)C 1874480877 GIGNDGFQBPVKGW-JVWAILMASA-N 444.604 6.220 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(C(C)C)cc1 1874508877 ZSPLSODGDDMPOG-WPWMEQJKSA-N 428.605 6.682 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(CC)nnc2SCc2cc(C)ccc2C)cc1 1874526920 OEMXRBSGDWCTGC-YZSQISJMSA-N 436.625 6.201 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccccc2OCc2c(Cl)cccc2Cl)cc1 1874577837 IDHKIPLNMHWDNP-NTCAYCPXSA-N 427.327 6.867 30 10 IKEE CCCOc1c(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc(Br)cc1OC 1874579302 HGVCHDFKZMPQTL-FNORWQNLSA-N 444.152 6.449 30 10 IKEE CC(C)COC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(C(C)C)cc1 1874583599 WDOAJWGDAZCLEI-CCEZHUSRSA-N 430.544 6.437 30 10 IKEE COc1cc(C(=O)/C=C/c2ccccc2OCc2cccc(F)c2)c(OC)cc1Cl 1874587412 LJAUXUBSFYZCPO-ZHACJKMWSA-N 426.871 5.971 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 1874596678 YCHMLDSYUSSSLS-AWNIVKPZSA-N 427.327 6.867 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(C)cc3)cc2)cc1OCCC 1874613043 ZTTNHQFYFKBTPX-FOWTUZBSSA-N 444.571 7.048 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1Cl 1874625618 NOMXIRPVWHBCTA-QDEBKDIKSA-N 445.317 7.006 30 10 IKEE CCCOC(=O)COc1c(Cl)cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OCC 1874635403 NXZLRPGJLVHOCE-CMDGGOBGSA-N 444.955 5.892 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1OC(=O)Cc1ccc(F)c(C)c1 1874699002 YMVDJNKKINGKCS-RUDMXATFSA-N 440.417 5.465 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OC(=O)CSc1ccccc1 1874703904 NJDHPTUUNYUCAE-XYOKQWHBSA-N 436.504 5.737 30 10 IKEE Cc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C(C)C)cc3)c2)cc1C 1874709334 BGGDBWBTBSWJQJ-OQLLNIDSSA-N 428.528 6.307 30 10 IKEE CCOc1cccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c(Cl)c3)c2)c1 1874716820 LAAQTWUSGAYESO-ZRDIBKRKSA-N 436.891 5.863 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc1OC(=O)c1ccc(C)cc1 1874718538 OZIYRKKAEMVWAB-IZZDOVSWSA-N 436.891 5.781 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)COc2c(C)ccc(C)c2C)cc1 1875117698 IIIBLWLYKICUJR-DTQAZKPQSA-N 430.500 5.501 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc4c(c3)OCO4)c([N+](=O)[O-])c2)c1 1875139349 DOSFKKHLACGCGQ-VMPITWQZSA-N 445.427 5.056 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 1875148214 GSWDQYFWGOXZIX-OQLLNIDSSA-N 443.499 6.316 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C)cc(C)c3OC)cc2OC)cc1 1875171907 SSWNVUHBYJCNHP-UKTHLTGXSA-N 444.527 5.998 30 10 IKEE N#CC1(c2ccccc2)CCN(C(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)CC1 1891718193 XNKRZHBPDGUTPE-UHFFFAOYSA-N 439.946 6.186 30 10 IKEE COc1ccc(-c2cc(C(=O)N3CCC(C#N)(c4ccccc4)CC3)c3ccccc3n2)cc1 1891798430 KDMCZCIRYQQHMY-UHFFFAOYSA-N 447.538 5.608 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](Cc2ccc(Br)cc2Cl)NCC)C1 1892691209 ITCMGWLFUFQTQH-KRWDZBQOSA-N 443.813 5.237 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCC)c2ccc(Cl)c(Br)c2F)C1 1892694658 GPLLKCCOAKIZAU-INIZCTEOSA-N 447.776 5.506 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@H](CNC(=O)OC(C)(C)C)CC1CCCC1 1922085529 JCKMTXJEOUEGMZ-ZEQRLZLVSA-N 430.633 5.459 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1[C@](C#N)(N(C(=O)OC(C)(C)C)C1CCCCCC1)C2 1950074256 IGBPSUATKPYDOJ-PDOGEWKWSA-N 433.593 5.238 30 10 IKEE C#CCCC[C@H](NCCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997454918 INGBHKDGVQYGNK-JYFHCDHNSA-N 428.617 5.002 30 10 IKEE C[C@@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)[C@@H](OCc2ccccc2)C1 1998819098 QQKAARZSXXUQPF-UVWWXKGLSA-N 426.601 6.224 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)C1CCC(F)(CNC(=O)OC(C)(C)C)CC1 2008941398 APZCHXHJRMHYKW-SMCIBBBJSA-N 434.596 5.161 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)CC12CCCCC2 2037750514 ZJKHSSZHMIFBGT-RUZDIDTESA-N 447.620 5.772 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@@]1(C)CCN1C(=O)OC(C)(C)C 2045194311 YKCMDYIDJWPUHG-DNQXCXABSA-N 445.560 5.118 30 10 IKEE CC(C)[C@@H](c1ccc(C2CC2)cc1)n1nc(C(F)F)c(C#N)c1I 2079092283 CCXSVHVLPXXVNF-INIZCTEOSA-N 441.263 5.420 30 10 IKEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)c2cccc(OCc3ccccc3)c2)CC1 2095905145 XCOALAAMBMHZKF-UHFFFAOYSA-N 433.357 5.059 30 10 IKEE CC1(C)CC[C@@H](Nc2cc(Br)cc(C#N)c2)[C@@H](CNC(=O)OC(C)(C)C)C1 2162313221 QVQSSYMLRWNVBK-CRAIPNDOSA-N 436.394 5.452 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@]2(CNc3cc(Br)ccc3C#N)CCC[C@@H]12 2165309374 WEEWIKAKHIAQSX-WIYYLYMNSA-N 434.378 5.302 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@](Nc3ccc(C#N)c(Br)c3F)(C2)C1 2203545252 VHDPNWANLDTSAA-RNODOKPDSA-N 438.341 5.051 30 10 IKEE C[C@H](CC1CCN(c2ccc(C#N)c(Br)c2)CC1)N(C)C(=O)OC(C)(C)C 2203591145 FQJKEVIIPFQYOE-OAHLLOKOSA-N 436.394 5.183 30 10 IKEE C=C(F)C[C@@H](NCCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229120548 PHVIYAYABWWJPO-QZTJIDSGSA-N 429.374 5.126 30 10 IKEE Cc1cnc(Nc2cccc(NC(=O)OC(C)(C)C)c2C)c(B2OC(C)(C)C(C)(C)O2)c1 2232307298 OSQCZNRVQUMMSE-UHFFFAOYSA-N 439.365 5.088 30 10 IKEE CCCCCCCCC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237411471 AXSPNKNALCMIQB-IBGZPJMESA-N 440.422 6.205 30 10 IKEE O=C(C#Cc1cccc(Br)c1)c1scc(Br)c1Br 2264121782 YRIIGOFNJDRXOX-UHFFFAOYSA-N 448.961 5.270 30 10 IKEE C[C@H](N(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F)C(C)(C)C 2267409452 UUWRGJGGMGJKBR-SFHVURJKSA-N 439.380 5.202 30 10 IKEE CC(C)(C)C#CC=CCC(=O)c1ccc(I)c(Br)c1 2268768241 ISQKBIYEEMAGAI-UHFFFAOYSA-N 431.111 5.232 30 10 IKEE C=C(C[C@H](OCCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)OC 2277094948 QYXOZVAUFBWOGP-MHZLTWQESA-N 447.575 5.801 30 10 IKEE O[C@H](C#Cc1ccc(Br)cc1)c1c(Br)cccc1Br 2278815487 GSTCAFJDYOPYMS-CQSZACIVSA-N 444.948 5.059 30 10 IKEE CC(C)(C)OC(=O)N[C@](C)(C1CCCCC1)[C@@H](O)C#Cc1cccc(Br)c1 2296223781 CXRYRROXVBZUSB-SIKLNZKXSA-N 436.390 5.025 30 10 IKEE CCC[C@H](CCNC(=O)OC(C)(C)C)CC[C@H](O)C#Cc1cccc(Br)c1 2296227119 MCCFPFQNPZYGEG-PXNSSMCTSA-N 438.406 5.273 30 10 IKEE Cc1c(NC(=O)OC(C)(C)C)ccc([C@@H](N)C#Cc2cccc(Br)c2)c1C 2296282522 XVGCSNHBIOWULD-IBGZPJMESA-N 429.358 5.464 30 10 IKEE CCCCCCCCOc1ccc(C=C2N=C(c3cccc4ccccc34)OC2=O)cc1 2297412119 DCBYIRUBXMRJLX-UHFFFAOYSA-N 427.544 6.924 30 10 IKEE C=CCOc1ccc(C=C2S[C@H](Nc3ccc(CC)cc3)NC2=O)cc1Br 2297533642 AMFZFKFGBQGKPC-OAQYLSRUSA-N 445.382 5.176 30 10 IKEE Cc1ccc(N=C2NC(=O)C(=Cc3cc(Br)c(N4CCCC4)o3)S2)cc1C 2313545733 BJLUGQROZGLGAQ-UHFFFAOYSA-N 446.370 5.151 30 10 IKEE C=CCN1C(=O)C(=C(C)c2ccc(F)cc2)SC1=Nc1nc(-c2ccccc2)cs1 2314544223 WLUJZDPZCUKQLA-UHFFFAOYSA-N 435.549 6.129 30 10 IKEE COc1cccc(C=NNc2oc(-c3ccccc3)nc2C#N)c1OCc1ccccc1F 2320833995 VLLGDYIPNWCMKG-UHFFFAOYSA-N 442.450 5.386 30 10 IKEE Cc1cc(Br)c(Oc2nc(Cl)c(C#N)s2)cc1NC(=O)OC(C)(C)C 2321005113 GQMLTNQANDFYKS-UHFFFAOYSA-N 444.738 5.878 30 10 IKEE C=Cc1ccc(COc2ccc3c(c2)OC(=Cc2cn(C)c4ccc(OC)cc24)C3=O)cc1 2321869616 WEZMUHUGHYYVBD-UHFFFAOYSA-N 437.495 6.025 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OCc3cc(Cl)cc4c3OCOC4)ccc2C1=O 2321876830 JUMZCMALATWRRR-UHFFFAOYSA-N 434.875 5.710 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O3)CN(Cc1cccnc1)CO2 2321973050 JPZYUZPGCUGIFD-UHFFFAOYSA-N 440.543 5.656 30 10 IKEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1ccc(F)cc1F)Nc1ccc(F)cc1 2322502129 XFCAGEJEXYEHMY-UHFFFAOYSA-N 445.824 5.671 30 10 IKEE O=C(COc1ccc2ccccc2c1C=CC(=O)c1cccc(Cl)c1)Nc1ccccc1 2322524866 PQDALUSLJJQDDY-UHFFFAOYSA-N 441.914 6.407 30 10 IKEE COc1cc(Br)cc(C=CC(=O)c2ccccc2)c1OCc1ccccc1C 2322547042 URKNUJYPMMQOSI-UHFFFAOYSA-N 437.333 6.241 30 10 IKEE C=C(C)COc1c(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc(Cl)cc1OC 2322807461 NZZAUGPLUBWSEL-UHFFFAOYSA-N 434.919 6.992 30 10 IKEE Cc1cc(OC(=O)c2cc3ccccc3o2)cc2c1C(=O)C(=Cc1cccc(Cl)c1)O2 2322842621 VNIDXFOXDNLFGL-UHFFFAOYSA-N 430.843 6.230 30 10 IKEE Cc1c(OC(=O)CCCOc2ccccc2)ccc2c1OC(=Cc1ccccc1Cl)C2=O 2323181849 JXAGQTCXCUGLNK-UHFFFAOYSA-N 448.902 6.029 30 10 IKEE Cc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)cc1C 2323258746 FVCFDJUTJMNJOZ-UHFFFAOYSA-N 440.539 6.745 30 10 IKEE CCCCCCCCCOc1ccc(C=NNc2nnc(C(C)(C)C)c(O)n2)cc1Cl 2323280024 AXPICBOOTYXUQA-UHFFFAOYSA-N 448.011 6.104 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)C=Cc1ccc(C(C)(C)C)cc1 2323460762 IPSQHYFOHPIMSK-HSZRJFAPSA-N 446.701 5.712 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 2323627382 SGLBUJWDZWESHA-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Br)c2)ccc1OCc1ccc(F)cc1 2323673139 BHZRFUSIOGULKN-UHFFFAOYSA-N 441.296 6.072 30 10 IKEE CCCOc1ccc(C=NNc2nc(-c3ccc(C)cc3)cs2)cc1Br 2323865439 BJJHFPHLANRQCR-UHFFFAOYSA-N 430.371 6.116 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OCc3cccc4ccccc34)c(Cl)c2)c1 2323944065 JWCRPMNTKFZGNU-UHFFFAOYSA-N 426.943 7.585 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2324356994 FPFMPVJFISWTIG-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE COc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)OC(=Cc1cccc(C)c1)C2=O 2324473794 HFLXMNIXHOORKA-GOSISDBHSA-N 443.499 5.334 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(O[C@@H](C)C(=O)Nc3c(C)cccc3C)c2C)C1=O 2325145532 RNNTZCLCDUNAKF-FQEVSTJZSA-N 441.527 5.942 30 10 IKEE Cc1cc(OCC(=O)Nc2cccc3ccccc23)cc2c1C(=O)C(=Cc1ccccc1)O2 2325707162 TUSXNDBXIZQBIN-UHFFFAOYSA-N 435.479 5.782 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2Cl)cc1OC(=O)Cc1ccc(F)cc1F 2325716766 WRVALSKTDSCELC-UHFFFAOYSA-N 442.845 5.671 30 10 IKEE CC(C)c1ccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4Cl)ccc3C2=O)cc1 2325717797 NRBOLGLSDYESDU-UHFFFAOYSA-N 447.918 6.097 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3c(C)cccc3C)c2)cc1 2325739644 ZKPXQZZWHYEQMA-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE COc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3cccc4ccccc34)c2)cc1 2325750191 VJGCKPIXIBHRNS-UHFFFAOYSA-N 438.479 5.729 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1OC(=O)c1ccc(C)c(C)c1 2325756545 FMAFMCRJTLZKBB-UHFFFAOYSA-N 442.555 6.661 30 10 IKEE CCCOc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(C)c(C)c3)c2)cc1 2325760387 VFQLTUKXCOTBJQ-UHFFFAOYSA-N 428.528 6.136 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1OC(=O)c1ccccc1F 2325765239 NSHJAPRDXXUHLJ-UHFFFAOYSA-N 446.518 6.556 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCCC)n1N=Cc1ccc(CC)cc1 2326477229 LGERRVAVQBSRHM-UHFFFAOYSA-N 436.581 5.369 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1cccc(O)c1 2326525938 DMNMQFKJDMJUSU-UHFFFAOYSA-N 428.945 5.075 30 10 IKEE CCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc(Cl)cc1Cl 2328051443 HRRKSIYJBBOLEX-UHFFFAOYSA-N 439.799 6.018 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccc(C)c(C)c3)n2N=Cc2ccccn2)cc1 2328922148 NDZANPJPVKHZHC-UHFFFAOYSA-N 441.604 5.558 30 10 IKEE C(=Nn1c(Cc2cccs2)nnc1SCc1ccccc1)c1cccc2ccccc12 2330392356 WNZLSOZKQUXVOH-UHFFFAOYSA-N 440.597 6.258 30 10 IKEE CCOc1ccc(C=NNC(=S)NC(c2ccccc2)c2ccccc2)cc1OCC 2330450697 RZHUYLRXXNBLJU-UHFFFAOYSA-N 433.577 5.072 30 10 IKEE C=C(C)CSc1nnc(-c2cccs2)n1N=Cc1ccc(OCC)c(OCC)c1 2330578565 TULNIMUSWDCXMP-UHFFFAOYSA-N 428.583 5.354 30 10 IKEE Clc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2-c2cccs2)cc1 2330603812 IGQRYIZKGDVLHK-UHFFFAOYSA-N 445.400 6.488 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2Cl)n1N=Cc1ccccc1C(=O)O 2330849454 OVSGGGGGDWOABW-UHFFFAOYSA-N 442.972 5.393 30 10 IKEE C[C@@H](C(=O)Oc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl)c1ccccc1 2331029239 QQLGVTDRNADUQO-MRXNPFEDSA-N 435.863 5.853 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)c1ccccc1F 2331084085 CNBFALACKXQCAA-UHFFFAOYSA-N 446.808 5.881 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)cc([N+](=O)[O-])c1OC(=O)CC(C)(C)C 2331100297 KVCBOOBZRXBERC-UHFFFAOYSA-N 447.434 5.509 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1cc(C)cc(C)c1 2331371943 UUMWLBHBIRPUPM-UHFFFAOYSA-N 444.527 6.134 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)c(C)c3)cc2)c1 2331378681 PIKFOENFINHVDM-UHFFFAOYSA-N 434.463 5.196 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C(C)(C)C)c1 2331410786 DCIJFVWPOWIFRI-UHFFFAOYSA-N 428.989 5.802 30 10 IKEE C[C@@H](C(=O)Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1Cl)c1ccccc1 2331473083 PQRQYIVLCPCIOF-LJQANCHMSA-N 440.926 7.098 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)CCCSC 2331493178 FQFPCFAEPYNQLW-UHFFFAOYSA-N 442.577 5.772 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1ccccc1Cl 2331509936 VZJYYENYLJJKBI-UHFFFAOYSA-N 434.919 6.587 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(F)c3)cc2Cl)cc1 2331556976 HSBVJVJHNMDPRJ-UHFFFAOYSA-N 426.846 5.971 30 10 IKEE COCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccccc1OC(C)C 2331601819 YVINVTIVHJKIBU-UHFFFAOYSA-N 430.961 5.040 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)cc3F)cc2)c(C)c1C 2331611937 CJSCPCXVJKMEDS-UHFFFAOYSA-N 436.454 5.634 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3[N+](=O)[O-])cc2)c1C 2331641690 TXGCGIFXQREVHT-UHFFFAOYSA-N 443.499 5.873 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc(OC)c1OC(=O)CCC 2331759168 YUKLIMREDYIQKT-UHFFFAOYSA-N 442.939 5.996 30 10 IKEE CC[C@H](C[C@@H](C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339578817 MTVOOFSDOVOIKR-DEWHONNTSA-N 446.397 5.187 30 10 IKEE O=C[C@]1(Cc2ccc(I)c(Br)c2)CCCC12CCC2 2349920504 JUCOIIOACMBUOS-MRXNPFEDSA-N 433.127 5.136 30 10 IKEE C[C@H]1CN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)[C@H](C)[C@H](C)N1Cc1ccccc1 2365059354 PACQSMIBNPYWKD-ZJQNQJPSSA-N 447.432 5.214 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NC)c1c(C)c(C)c(Br)c(C)c1C 2375344045 IRNQITRBXSWHAW-PXNSSMCTSA-N 439.438 5.803 30 10 IKEE C=CCN(C(=O)Cn1c(SCc2ccc(F)cc2)nc2ccncc21)c1ccccc1 8913079 RTKRXRHBSLSALX-UHFFFAOYSA-N 432.524 5.082 30 10 IKEE C=C(C)COc1ccccc1NC(=O)COc1ccc2ccccc2c1Br 9822501 CNBLAGDXDMWIMB-UHFFFAOYSA-N 426.310 5.575 30 10 IKEE COCC/N=c1\scc(-c2ccc(Cl)cc2Cl)n1/N=C/c1sccc1C 15910256 FMYCXBPCOAHEDI-HNRAKDTKSA-N 426.394 5.323 30 10 IKEE CC(C)COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccn2)cc1 20883118 VYXDUGHIDHLRFJ-WTYVLRPYSA-N 439.559 6.096 30 10 IKEE CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(-c3ccccc3)cc2)cc1 21249804 ZEQXHWJUCUWZNM-AHWVRZQESA-N 449.594 6.655 30 10 IKEE COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc3ccccc3c2)c1 21255476 SCIHKMGQMHBFCL-JHOBJCJYSA-N 446.550 6.828 30 10 IKEE O=C1/C(=C/c2cccc(Cl)c2Cl)Oc2cc(OCc3ccc(Cl)cc3)ccc21 33513954 BVPVGJQQIQNLGF-JMIUGGIZSA-N 431.702 6.842 30 10 IKEE CCN1C/C(=C/c2ccc(Cl)cc2Cl)C(=O)/C(=C\c2ccc(Cl)cc2Cl)C1 33716248 PNRCZERKCUVEHU-DUGOVBPYSA-N 441.185 6.672 30 10 IKEE CCOc1ccc2oc(C)c(C(=O)Oc3ccc(C(=O)/C=C/c4ccccc4)cc3)c2c1 34954043 RNSZYVNRTCSJAJ-OQLLNIDSSA-N 426.468 6.255 30 10 IKEE O=C(O)c1ccc(/C=C2\S/C(=N/c3cccnc3Cl)N(C3CCCCC3)C2=O)cc1 39864128 XQAFLINRIMMFOV-ZXHAZXQISA-N 441.940 5.370 30 10 IKEE C/C(=C1/S/C(=N/c2cccnc2Cl)N(C2CCCCC2)C1=O)c1ccc(F)cc1 39864171 SJPRJEBNVQIGIH-DNSQYUDISA-N 429.948 6.201 30 10 IKEE C=CCc1ccccc1OCCCn1c(CCCCCNC(=O)C=C)nc2ccccc21 40219640 GMBIWBFYVPGISS-UHFFFAOYSA-N 431.580 5.249 30 10 IKEE Cc1ccc(OC(=O)c2oc3c(c2C)/C(=N/Nc2cccc(C(F)(F)F)c2)CCC3)cc1 40824084 BSIROFFRGDVWEI-VUTHCHCSSA-N 442.437 6.287 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2cc(OC)c(C(=O)OCC)cc2Cl)c1 41013831 ILUSQDJTSKQBDH-UHFFFAOYSA-N 430.932 5.615 30 10 IKEE Cc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(CCc3ccc(F)cc3)C4)C2=O)cc1 41586713 XSZTYGQAQZIVDM-CFRMEGHHSA-N 429.491 5.453 30 10 IKEE CC(/C=N\N=C1\S/C(=C\c2ccccc2)C(=O)N1Cc1ccco1)=C\c1ccccc1 47138788 PNBVSPVBFBENEO-KAOOWNJMSA-N 427.529 5.841 30 10 IKEE COc1cc(/C=C\C(=O)c2ccc(Cl)s2)ccc1OCC(=O)Nc1ccc(C)cc1 96576924 XLIAOARFORVNGW-UITAMQMPSA-N 441.936 5.632 30 10 IKEE CCCC/N=C(/c1ccccc1)c1sc2nc(C)cc(C)c2c1NC(=O)c1ccccc1 102883739 PQDCVACEIDDUBM-NFFVHWSESA-N 441.600 6.803 30 10 IKEE C=CCn1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)c(C)c2cc(C(C)C)ccc21 169863417 FXJYYMMODWENNZ-UHFFFAOYSA-N 436.599 7.102 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccc(C)cc2C)cc1 169925709 WZXYRBZBYDDZMN-VWLOTQADSA-N 441.527 5.712 30 10 IKEE COc1ccc(/C=N\Nc2nc(-c3ccccc3)c(C)s2)cc1OCc1ccc(C)cc1 169940794 ATRRRAQUNQINFB-YUMHPJSZSA-N 443.572 6.461 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccc(O)cc2)cc1C 169961274 RHYPZHJQKQPJCL-QFIPXVFZSA-N 433.891 5.445 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@H]1c1cccc(C)c1 169970655 VFDVEEPDJQBSDL-RUZDIDTESA-N 427.500 5.106 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccccc2)cc1 169974822 CHCSPJKGLDXBJZ-HSZRJFAPSA-N 445.946 6.420 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(O)c(Cl)c1)c1c[nH]c2ccccc12 170043716 FJZHNNJYMQOHAS-NRFANRHFSA-N 436.895 5.048 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]2c2ccco2)cc1 170094002 QRERRNCHUUVCJV-LJQANCHMSA-N 443.377 5.090 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1cccc(OC)c1 170121135 OHJHLODKOHIENF-QHCPKHFHSA-N 437.536 5.251 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1cccc(C)c1 170142000 NIYZQBPLFLAXBH-DEOSSOPVSA-N 441.527 5.712 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1cccc(OC(C)C)c1 170152963 XSSRZTRAVCMVDB-HSZRJFAPSA-N 432.520 5.334 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3OC)[C@H]2c2cccs2)cc1 170156904 QPIHQWPRXQFWQD-JOCHJYFZSA-N 449.528 5.111 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2cccs2)cc1 170157083 URRQHXMMIMVFOJ-JOCHJYFZSA-N 431.513 5.028 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@@H]1c1cccs1 170158105 ZALBVJIBJWOEEM-JOCHJYFZSA-N 433.529 5.465 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccs2)cc1C 170161617 WWMHYXWRNRDZEQ-JOCHJYFZSA-N 433.529 5.547 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccs2)ccc1Br 170166464 PWAJDVOAJILQKK-SFHVURJKSA-N 446.366 5.340 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 170226577 APRUCSADDWTPSN-QHCPKHFHSA-N 447.918 5.910 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(F)cc1 170239482 WRGMCLJRCNRWAO-JOCHJYFZSA-N 431.463 5.234 30 10 IKEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(C4CCCCC4)[C@@H]3c3ccc(F)cc3)ccc2O1 170242423 PSXBIRFYBBIENZ-NPMXOYFQSA-N 435.495 5.060 30 10 IKEE COCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1ccc(C(C)C)cc1 170244519 KQGZOGRZJYUOLE-DEOSSOPVSA-N 449.591 5.641 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@@H]1c1ccccc1F 170253381 AUEKDJPOGDRHER-QFIPXVFZSA-N 425.500 5.220 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@H]2c2ccco2)cc1C 170288774 MFLBZMDGXOFEPG-NRFANRHFSA-N 437.879 5.341 30 10 IKEE C=CCOc1cccc([C@@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2CCCC)c1 170324043 NLRKITHGTZGPQV-XMMPIXPASA-N 449.547 5.417 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccc(OC(C)C)c2)c1 170347822 VFPKHANHZMMFQD-RUZDIDTESA-N 441.527 5.874 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2c(C)[nH]c3ccccc23)c1 170402890 KFAZDAGGKSPHEO-JOCHJYFZSA-N 444.512 5.329 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1 170427577 BUXIRFAEJVXNSV-IBGZPJMESA-N 443.377 5.090 30 10 IKEE Cc1cccc(Oc2ccc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3cccs3)cc2)c1 170476512 JAEOIBLADUXSLX-DEOSSOPVSA-N 447.556 6.364 30 10 IKEE Cc1cc(Br)ccc1NC(=S)NN=Cc1cc(Cl)cc(Cl)c1O 254606598 BDWKCGPLWRHMIJ-UHFFFAOYSA-N 433.158 5.090 30 10 IKEE CC(C)Oc1cccc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 526488437 ONOZVBVUDPNZHQ-XMMPIXPASA-N 444.918 6.056 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(OC)cc2)cc1 526603651 GMTJGYWQPLKBIC-RUZDIDTESA-N 440.499 5.413 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)cc1 526709487 GOEIELCYRZILBD-QHCPKHFHSA-N 447.918 5.912 30 10 IKEE Oc1ccccc1/C=N\n1c(CCc2ccccc2)nnc1SCc1ccc(F)cc1 526802815 NXJGAOZBAKBVKX-QQXSKIMKSA-N 432.524 5.083 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1cccc(OC)c1OCC 526812058 YHNSMRXLXUFTLE-OYKKKHCWSA-N 444.988 5.466 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccc([N+](=O)[O-])cc1 526812577 BCWALZGQLRHIJN-XKZIYDEJSA-N 429.933 5.357 30 10 IKEE Cc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1/N=C\c1ccc(C(C)C)cc1 526831272 KLGQTVMINPEJKU-FMCGGJTJSA-N 426.542 5.043 30 10 IKEE C=C(C)CN(C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586135485 ZQECDGSQOTWNSL-UHFFFAOYSA-N 446.399 6.350 30 10 IKEE C[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 698862232 UVYDBQHVVNHMSE-QMHKHESXSA-N 433.524 5.249 30 10 IKEE CC(C)(C)OC(=O)N1CCC([C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)CC1 698866861 CINQOAZOIWDMIQ-XMMPIXPASA-N 447.551 5.497 30 10 IKEE N#C[C@H](C(=O)CCc1cccc(C(F)(F)F)c1)c1nc(O)c2c3c(sc2n1)CCCC3 766836621 ANUOAIXIZJZPMP-OAHLLOKOSA-N 445.466 5.104 30 10 IKEE CCCCCCCC/C=C/CCCCCCCC(=O)[C@](O)(CC(=O)O)C[N+](C)(C)C 888085252 VLILKHJVUOOJEJ-SDQWYYNMSA-O 426.662 5.505 30 10 IKEE CC1(C)[C@H](/C=C(/Cl)C(F)(F)F)[C@@H]1C(=O)O[C@H](c1ccc(C#N)cc1)C(F)(F)F 1615216752 JCFCFHCAYVNVHL-MSMVHNDYSA-N 425.756 5.662 30 10 IKEE CCN1C(=O)/C(=C(\C)c2ccc(OC)cc2)SC1=Nc1nc(-c2ccccc2)cs1 1772740300 ZPSJELFZYXSKBK-LJVHWXJXSA-N 435.574 5.833 30 10 IKEE N#Cc1cccc(Cn2c(-c3ccccn3)nc3scc(-c4ccc(F)cc4)c3c2=O)c1 1857803830 CNJOOJOXKOKOQN-UHFFFAOYSA-N 438.487 5.246 30 10 IKEE CCCCCCCCCCn1cc(OCc2cc(Cl)ccc2F)c(=O)cc1C(=O)O 1857891188 PXLXCRGIASTEGK-UHFFFAOYSA-N 437.939 6.059 30 10 IKEE Cc1ccc(CNC(=O)Oc2cccc3c(NC(=O)c4cccc(C#N)c4)cccc23)cc1 1858944610 IZMGRMLTTRADRC-UHFFFAOYSA-N 435.483 5.561 30 10 IKEE N#Cc1c(NC(=O)c2c3c(nc4c(Br)cccc24)CCC3)oc2c1CCCC2 1859662513 MLPBLNZGONUUEW-UHFFFAOYSA-N 436.309 5.082 30 10 IKEE CC(=O)c1c(C)oc(NC(=O)CCc2ncc(-c3ccc(Cl)c(Cl)c3)o2)c1C#N 1859748343 LCZQJBQPXLYCRN-UHFFFAOYSA-N 432.263 5.195 30 10 IKEE O=C(CCNCc1cc(F)ccc1F)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1860658212 RLJXJCSDULWCIC-UHFFFAOYSA-N 426.307 5.121 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)[C@@H](C)Oc1ccc(C(C)C)cc1 1861682612 JQZLOUNKAILHQH-AMGIVPHBSA-N 446.676 6.119 30 10 IKEE CCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)CCCOc1ccc2ccccc2c1 1861699782 NCODKPQCCJLWSO-HHHXNRCGSA-N 440.628 5.760 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CC)cc1 1862385901 AWFUKFUXTAGBBX-LJQANCHMSA-N 434.319 5.380 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2cccc(F)c2)cc1C 1862402461 YYAOMKBYMDCFHD-MZNJEOGPSA-N 445.490 5.482 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccccc2)cc1OCCC 1862425488 YKLWYEDDZCLVFP-HSZRJFAPSA-N 435.520 5.005 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCCCCO)cc1 1862433486 DARLRKIZCULEBA-JOCHJYFZSA-N 441.955 5.204 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCC(C)C)c1 1862446920 DOAIJMUPGJIDKX-NRFANRHFSA-N 427.928 5.363 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccccc1F)c1c(F)cc(F)cc1F 1862457362 NUSXUKODGDHWRH-FQEVSTJZSA-N 433.401 5.154 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccc(F)cc2F)cc1 1862477764 RGLXCJZFWPBOFH-HSZRJFAPSA-N 439.502 5.964 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)c1 1862479276 CJRVZTGFQJUMBB-BFMBIBTESA-N 447.575 5.941 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2c(Cl)cccc2Cl)cc1 1862481739 HUDWWGNZWDLBBA-HXUWFJFHSA-N 430.331 5.823 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cc(Cl)cc(Cl)c2)cc1 1862482091 JMURZTOUAPSKBL-HXUWFJFHSA-N 430.331 5.823 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccc(C)cc2)cc1 1862487158 UMEWFVMFNIOGRF-RUZDIDTESA-N 425.528 5.699 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2ccc(F)cc2)c1 1862490437 VSZGETTWNUQELF-QFIPXVFZSA-N 435.520 5.325 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@H]2c2ccc(F)cc2)c1 1862490532 YAELINOOYQSOTR-DEOSSOPVSA-N 445.490 5.100 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccccc2F)ccc1F 1862501850 LVAUFQSOSKSNPI-JOCHJYFZSA-N 437.417 5.191 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C2CCCC2)cc1 1862599269 BCPWDXSIDVITIX-QHCPKHFHSA-N 435.520 5.092 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(F)c2)cc1 1862614427 APLCKHFUMLEJMA-QHCPKHFHSA-N 444.506 5.297 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccccc2F)cc1 1862662731 LMNUQVZXKLMBSH-XMMPIXPASA-N 447.481 5.867 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CCCCC2)cc1 1862665204 BHDGNWSGFLUHJW-RUZDIDTESA-N 447.575 6.120 30 10 IKEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1c(Cl)cccc1Cl 1862667976 NSHOMGPTRASVOD-FQEVSTJZSA-N 448.346 5.342 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccc(C)cc2)cc1 1862687518 MAQOPQWKIUMOKO-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc3cc[nH]c3c2)c1 1862701471 FVAOEZNDGPJQCR-XMMPIXPASA-N 444.531 5.478 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(N(C)C)c2)=C(c2cccs2)C1=O 1863479247 XQXINZSBNHENBF-UHFFFAOYSA-N 425.598 5.367 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(Nc3ccccc3C#N)=C(c3cccs3)C2=O)cc1 1863485386 AUHJFNFDRRQPTG-MRXNPFEDSA-N 427.529 5.135 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccccc2)=C(c2c[nH]c3ccccc23)C1=O 1863489362 NIPXKOXDXVFXMQ-UHFFFAOYSA-N 443.591 6.501 30 10 IKEE CCCCCCCCNC1=C(c2ccc(F)c(C)c2)C(=O)N(Cc2cccs2)C1=O 1863785786 OPRNHVOGXGVMJT-UHFFFAOYSA-N 428.573 5.426 30 10 IKEE CC(C)(C)c1nc(Nc2ccccc2C#N)cc(N2CCC[C@@H]2c2nc3c([nH]2)CCCC3)n1 1868349512 VGXJKMLPKUQLPO-OAQYLSRUSA-N 441.583 5.333 30 10 IKEE COc1cccc([C@H]2c3ccccc3CCN2c2cc(Nc3ccccc3C#N)nc(C)n2)c1 1868490989 ZUSZNTRDTSDNAW-NDEPHWFRSA-N 447.542 5.561 30 10 IKEE CCCCN(CCC)c1nc(NC(=O)c2cccc(C#N)c2)n(-c2cccc(Cl)c2)n1 1870011221 OUTKPWCFWSYDFD-UHFFFAOYSA-N 436.947 5.061 30 10 IKEE C=CCn1cc(OCc2cccc(C)c2)c(=O)cc1CNc1ccc(N2CCCC2)cc1 1871069981 IOZKGDFVJPDPNT-UHFFFAOYSA-N 429.564 5.134 30 10 IKEE Cc1cccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCOc2ccccc2)C4)c1 1871346705 RZTJFJMQPRUYIA-IWIPYMOSSA-N 427.500 5.151 30 10 IKEE CCOCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(Cl)c(Cl)c1)C3=O 1871350682 PKJMYLNOBGSNNS-JAIQZWGSSA-N 448.346 5.497 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)Cc4ccc(Cl)c(Cl)c4)ccc3C2=O)cc1 1871376631 AJFYTZUTTUZAOV-JJFYIABZSA-N 439.294 6.066 30 10 IKEE CCCCC1CCC(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(CC)cc2)C3=O)CC1 1871383217 PNBXNLMSURCWFE-ONUIUJJFSA-N 446.587 7.076 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)CC1 1871383566 RYKLYTRBXZELPD-QFEZKATASA-N 448.515 5.934 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(O[C@H](C)C(=O)Nc3ccccc3Cl)c2C)C1=O 1871403793 ABSJEMIIUAQISG-NQRZERFFSA-N 447.918 5.979 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCCCCOc4ccc(C)cc4)ccc3C2=O)cc1 1871406262 ZFEVMIYLWKFNPO-IMRQLAEWSA-N 428.528 6.412 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccc(Cl)cc4)c3C)C2=O)c1 1871413943 FDUCTADLGFKVKW-PGECNJAHSA-N 447.918 5.979 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O 1871432153 WLPICRHZJHMSAW-ICODJCHTSA-N 447.918 5.979 30 10 IKEE C[C@@H](Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1)C(=O)Nc1ccc(C#N)cc1 1871436023 KFWMXNXXFIUWLQ-OAHLLOKOSA-N 444.874 5.391 30 10 IKEE Cc1ccc(CCOc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2Cl)C3=O)cc1 1871437631 RCLOPCBWLFFANW-FMCGGJTJSA-N 425.311 6.540 30 10 IKEE C=CCN([C@H](C(=O)Nc1cccc(C)c1C)[C@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1872522395 YKZSFUDVTTVAQP-ZHRRBRCNSA-N 449.016 5.187 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)cc1OC 1872765223 KENHSPBOCZUADF-AIADIJKESA-N 448.544 5.424 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccc(Cl)cc3)n2)cc1 1872765635 TTWWUXKESBZQBU-HRAATJIYSA-N 438.980 6.450 30 10 IKEE CCCOc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(OCCC)cc3)cs2)cc1 1872770213 NGUPKSNMWPJVRO-QFIPXVFZSA-N 434.561 5.807 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3cc(OC)ccc3OC)cs2)cc1 1872771498 WDMPVVKMQFRMKP-WUTDNEBXSA-N 434.517 5.116 30 10 IKEE CC(C)(C)c1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3cccc([N+](=O)[O-])c3)n2)cc1 1872772874 IZUHIEMUCOIXSP-BESKYLIDSA-N 431.517 5.905 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(C)c(C)c3)n2)cc1Cl 1872784926 AIQNBYVMLAZAEZ-KRWDZBQOSA-N 426.925 5.344 30 10 IKEE Cc1cc(C)c(-c2csc([C@@H](C#N)C(=O)COc3cc(Cl)ccc3Cl)n2)c(C)c1 1872786276 GQWHFHMCODSJIX-INIZCTEOSA-N 445.371 6.297 30 10 IKEE CCCCCCCCNC(=O)c1ccc2nc(COc3ccc(Cl)c(C)c3)[nH]c2c1 1872807717 BBLNOTZZYPGLGZ-UHFFFAOYSA-N 427.976 6.194 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2cccnc2)C1=O 1873265661 VNOHQVASHKPPKJ-UHFFFAOYSA-N 430.552 5.286 30 10 IKEE C=CCN1C(=O)C(Nc2cccc(OCC(C)C)c2)=C(c2cc(Cl)ccc2Cl)C1=O 1873390625 UXLLWZJYPOZSHL-UHFFFAOYSA-N 445.346 5.406 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc([N+](=O)[O-])cc2)=C(c2cccs2)C1=O 1873405800 WUZLNDQQLOPSMS-UHFFFAOYSA-N 427.526 5.209 30 10 IKEE C=C(C)CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccccc1F 1874217505 NOZDJERWDIDOSM-OPEKNORGSA-N 444.963 5.817 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccccc1O 1874230528 NXIAEGLLYHCIPQ-FOKLQQMPSA-N 428.945 5.075 30 10 IKEE C=CCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1ccc(OCC)cc1 1874247703 ROBHYDHSHNSXIY-XIEYBQDHSA-N 436.581 5.157 30 10 IKEE C=CCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1c(Cl)cccc1Cl 1874296457 CESDIEYRLZJNAZ-WSDLNYQXSA-N 448.335 5.244 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(CCOc3ccccc3)nnc2SCC)cc1 1874345414 NGHUIQFTSWTMSW-NCELDCMTSA-N 438.597 5.463 30 10 IKEE Cc1cccc(/C=N/n2c(CCOc3ccccc3)nnc2SCc2ccccc2F)c1 1874346492 RNQKNTJVHIKOKT-WPWMEQJKSA-N 446.551 5.522 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2cccc(F)c2)n1/N=C/c1cccn1C 1874361737 SMNNIZXOSZQURQ-WGOQTCKBSA-N 433.556 5.024 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@@H](C)c3ccccc3)n2/N=C/c2cccnc2)c1 1874399126 HVIKEERSIQCOIW-BJRSOBTISA-N 427.577 5.616 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@H](C)c3ccccc3)n2/N=C/c2cccnc2)c1 1874399127 HVIKEERSIQCOIW-CSWGWEJPSA-N 427.577 5.616 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccccc2)cc1 1874427063 OQMDNDZJNCCHOL-BUVRLJJBSA-N 445.504 5.036 30 10 IKEE Clc1ccc(/C=N/n2c(SCc3ccccc3)nnc2[C@H]2CCCO2)c(Cl)c1 1874446031 QVBUSSMBTBGEOX-BYWZACNXSA-N 433.364 5.611 30 10 IKEE C=C(C)CSc1nnc(C(F)(F)F)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874459822 BQBACWBOBYFTOF-BRJLIKDPSA-N 432.471 5.426 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(F)(F)F)n2/N=C/c2ccccc2OC(C)C)c1 1874461263 FOJRUFWFUSLMNW-RPPGKUMJSA-N 448.514 5.875 30 10 IKEE COCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc(C)cc1 1874474161 PQWODIMIGJVJDX-FSJBWODESA-N 435.380 5.257 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874491257 HTOXBEXVBRLQSR-WSDLNYQXSA-N 429.933 5.213 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2cccc(Cl)c2)c1 1874509222 RBCRMZUMLLMAOR-WYMPLXKRSA-N 441.988 5.285 30 10 IKEE CC(C)c1nnc(SCCc2ccccc2)n1/N=C/c1cccc(Br)c1 1874514012 BSGSRBAXAYLVOD-HYARGMPZSA-N 429.387 5.381 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2ccccc2Cl)c1 1874516231 MTMBEEUCWNXFHU-WYMPLXKRSA-N 439.972 5.039 30 10 IKEE C(=N/n1c(SCc2ccccc2)nnc1C1CC1)\c1ccc(OCc2ccccc2)cc1 1874519987 WESGEGGKXUODIV-WPWMEQJKSA-N 440.572 5.909 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1OCC(=O)Nc1nccs1 1874593215 YDNQGNLUODFUTD-UXBLZVDNSA-N 444.512 5.219 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1cc(C)ccc1C 1874610305 LRSRJQAMXBHGRC-NTUHNPAUSA-N 431.488 6.085 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Cl)c1OCc1cc(C)ccc1C 1874625862 ARCMKJKJWNVCSD-RMKNXTFCSA-N 442.889 6.719 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)cc([N+](=O)[O-])c1OC 1874628499 GZZTZWSKEWVADP-AATRIKPKSA-N 426.252 5.214 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)cc(OC)c1OCCO 1874628607 LWHVVLWEQYBQBE-VOTSOKGWSA-N 437.319 5.006 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)c1 1874630084 JVAYMFCIONEYJZ-JLHYYAGUSA-N 447.487 5.867 30 10 IKEE CCCCCCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 1874654874 MEJRIUWAKOXERW-AREMUKBSSA-N 447.623 5.305 30 10 IKEE Cn1c(C(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)OCO4)c2)cc2ccccc21 1874707831 YUXLEUVZHFVEKA-PKNBQFBNSA-N 425.440 5.022 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1Cl 1875097658 WMMZURSGEZANFM-GXDHUFHOSA-N 446.930 6.343 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccco2)c(Cl)c1)c1ccc(Br)cc1 1875110122 VEJHMJDYZKTHPZ-YCRREMRBSA-N 431.669 5.811 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)cc([N+](=O)[O-])c1OC(=O)CC(C)(C)C 1875111398 AMUWZYDDMZPQEJ-ZHACJKMWSA-N 445.899 5.885 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OCCC)cc2)cc(OC)c1OC(=O)c1ccco1 1875138613 BIHUWSVZGLURMR-NTEUORMPSA-N 446.499 5.921 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1[N+](=O)[O-] 1875141570 KNOMRVQIBAUWCC-YRNVUSSQSA-N 435.407 5.166 30 10 IKEE Cc1cccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3cccc4ccccc34)cc2)c1C 1875153965 HRXYWSKPAQKBNC-OBGWFSINSA-N 436.507 6.337 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1Cl 1875187164 NHEDMNOJHSFMRU-UUILKARUSA-N 437.835 5.372 30 10 IKEE C=CCC1(NCc2cccc(OCc3ccccc3)c2)CCN(C(=O)OC(C)(C)C)CC1 1924554707 YBOGVLAZKQGOEN-UHFFFAOYSA-N 436.596 5.701 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@H]1Nc1cc(Br)ccc1C#N 1924914647 OTWVUMQQQGJSPO-QAPCUYQASA-N 434.378 5.206 30 10 IKEE CCCCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](F)C(=O)O 1927456430 VJNSQFAIIRSPPI-DHIUTWEWSA-N 427.516 5.677 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@](C)(C#N)[C@@]1(C)CCN1C(=O)OC(C)(C)C 1999896363 ICDDZJJKMXYCKC-DHIUTWEWSA-N 433.524 5.249 30 10 IKEE CC[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(OC)cc2)CN1Cc1ccccc1 2029759361 LVIYOWOFYIKDRY-LVXARBLLSA-N 435.568 5.384 30 10 IKEE Cc1ccc([C@H](C2CCC2)n2nc(C3CCC3)c(C#N)c2I)c(O)c1 2079005829 QLKMIAFSRDOMKC-IBGZPJMESA-N 447.320 5.030 30 10 IKEE CCc1ccc([C@H](C2CCC2)n2nc(C3CC3)c(/C=N/O)c2I)cc1 2079078482 LUJIWXAKNWNXAW-OZNZCJATSA-N 449.336 5.125 30 10 IKEE COC(=O)c1c(C(F)(F)F)nn([C@@H](c2ccc(C(F)(F)F)cc2F)C(C)(C)C)c1N 2079970376 QZWDIVJMASSSRA-ZDUSSCGKSA-N 441.347 5.064 30 10 IKEE CC(C)c1nn2c(Cl)cc(-c3ccc(C(F)(F)F)c(Br)c3)nc2c1C#N 2081163320 KBMIPJRRQBKIFC-UHFFFAOYSA-N 443.654 5.826 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1c1cc(Cl)n2nc(C3CCCC3)c(C#N)c2n1 2081190840 SYRMAJVGRNYQCG-KRWDZBQOSA-N 429.952 5.374 30 10 IKEE CCc1nn2c(Cl)cc(-c3ccc(C(F)(F)F)c(Br)c3)nc2c1C#N 2081397450 LGUAWPYGAGQOLN-UHFFFAOYSA-N 429.627 5.265 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCC)c2cc(Cl)cc(Br)c2)C1 2081565508 GOXPKSNSBLAUCZ-MRXNPFEDSA-N 429.786 5.367 30 10 IKEE CCCCCC#CCNc1cc(Br)c(Br)c(Br)c1 2083404196 WBHSKXQYTZYUFR-UHFFFAOYSA-N 438.001 5.970 30 10 IKEE C=CCC[C@H](C)[C@H](NCCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2102110315 FHTVOJXLENYNBN-KXBFYZLASA-N 425.411 6.439 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)cc(Br)cc1F 2159124588 IUHDRTZKIRKLKO-FUHWJXTLSA-N 445.348 5.075 30 10 IKEE Cc1cc(Br)c(N=C2N[C@@](C)(C(F)(F)F)CS2)c(Br)c1 2161365011 KVPHSXSMZIVZGO-LLVKDONJSA-N 432.103 5.165 30 10 IKEE C[C@@H](CC(C)(C)C#N)N(CCCNC(=O)OC(C)(C)C)c1cccc(Br)c1 2165171423 OECPCKNCFUNIFT-INIZCTEOSA-N 438.410 5.499 30 10 IKEE CCCCCCC[C@@H](O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229097041 WTVOVHCXSAUMCF-RBUKOAKNSA-N 428.411 5.606 30 10 IKEE C=C1CCC(CC(=O)[C@@H](Cc2ccccc2Br)NC(=O)OC(C)(C)C)CC1 2237433442 GJAQCJGUQOLYBQ-LJQANCHMSA-N 436.390 5.591 30 10 IKEE CCc1ccc(C#C[C@H](O)c2ccc(NC(=O)OC(C)(C)C)c(Br)c2)cc1 2239668692 IZYVFVFPDXTMNT-FQEVSTJZSA-N 430.342 5.444 30 10 IKEE Cc1cnc(Oc2cc(F)c(Cl)cc2Br)c(B2OC(C)(C)C(C)(C)O2)c1 2241078033 BTOIBSFPBDOGJV-UHFFFAOYSA-N 442.521 5.037 30 10 IKEE CC[C@@H](C)N(Cc1ccccc1)C(=O)c1cc(Cl)cc(B2OC(C)(C)C(C)(C)O2)c1 2247782053 QIKCZICOBYQQEL-QGZVFWFLSA-N 427.781 5.080 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@]1(C)CNC(=O)OC(C)(C)C 2258853782 FOIGHBGHBRSJQH-RPBOFIJWSA-N 443.588 5.714 30 10 IKEE Cc1cccc(NC(=O)OC(C)(C)C)c1C(=O)Nc1ccc(C#N)c(Br)c1 2283396880 UTNWBRMUEGDQKJ-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)CCCCN(CC)C(=O)OC(C)(C)C 2296219797 RMJJERPNPQEOSV-FQEVSTJZSA-N 437.422 5.206 30 10 IKEE COc1ccc(OC)c(C=C2SC(=Nc3ccc(Cl)c(C(F)(F)F)c3)NC2=O)c1 2296882493 WXRZJEQIJYBMNA-UHFFFAOYSA-N 442.846 5.268 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 2314429963 SLOKSQVDOOWFQA-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=Nc1nccs1 2314489574 SNLQKMSYFDMQRE-UHFFFAOYSA-N 438.490 5.101 30 10 IKEE O=C1C(=Cc2ccc(Br)o2)SC(=Nc2nccs2)N1c1ccccc1 2314542955 RFQDOMVQPXLCFB-UHFFFAOYSA-N 432.324 5.307 30 10 IKEE CCCCCCOc1ccc(C=Nn2cnnc2SCc2ccccc2F)cc1OC 2318574715 RHIKWWDAXOPETO-UHFFFAOYSA-N 442.560 5.559 30 10 IKEE CCc1nnc(SCc2cccc(F)c2)n1N=Cc1cccc(OCc2ccccc2)c1 2320974326 PVQGQOSJNATQRK-UHFFFAOYSA-N 446.551 5.733 30 10 IKEE Cc1ccc(COc2ccc(C=Nn3c(C)nnc3SCc3ccccc3C)cc2)cc1 2321761197 WARYNPZRBBODQS-UHFFFAOYSA-N 442.588 5.957 30 10 IKEE CCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(-c2ccccc2)cc1)C3=O 2322042426 KEZMUKSHLPBAPE-UHFFFAOYSA-N 425.528 6.230 30 10 IKEE CC(C)(C)c1ccc(C=CC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1 2322145962 FUAOLZOOTWRIRF-UHFFFAOYSA-N 446.550 7.435 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc4c3CN(C3CCCCCCCCCCC3)CO4)C2=O)o1 2322166902 RCKBGGIETAUZQI-UHFFFAOYSA-N 449.591 7.029 30 10 IKEE CCCCCCCCN1COc2ccc3c(c2C1)OC(=Cc1ccc(OCC)cc1)C3=O 2322183691 FRLNGKUODICENA-UHFFFAOYSA-N 435.564 6.214 30 10 IKEE COc1cccc(C=CC(=O)c2ccccc2Cl)c1OCC(=O)NC1CCCCC1 2322437108 MRCVWTRODMYMIH-UHFFFAOYSA-N 427.928 5.072 30 10 IKEE CC(C)COC(=O)COc1ccc2ccccc2c1C=CC(=O)c1cccc2ccccc12 2322723007 YLBZXNZSWQIYRA-UHFFFAOYSA-N 438.523 6.467 30 10 IKEE Cc1cc(OC(=O)c2cccnc2)cc2c1C(=O)C(=Cc1c(Cl)cccc1Cl)O2 2322810096 RRJPAUDUVGBUHE-UHFFFAOYSA-N 426.255 5.532 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OC(=O)c4ccncc4)cc(C)c3C2=O)cc1 2322828473 KQCRNEXWERJHEM-UHFFFAOYSA-N 428.488 5.072 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)Cc4ccc(OC)cc4)cc(C)c3C2=O)cc1 2322904371 NWHJNKAUHRVAMT-UHFFFAOYSA-N 428.484 5.330 30 10 IKEE Cc1c(OC(=O)c2cccc(Cl)c2)ccc2c1OC(=Cc1cn(C)c3ccccc13)C2=O 2322910785 BLZWBLQGPXMVEV-UHFFFAOYSA-N 443.886 5.976 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4cccc(Br)c4)ccc3C2=O)cc1 2322930264 MMPCWDFLJCZBJR-UHFFFAOYSA-N 435.273 5.593 30 10 IKEE CC(=O)Nc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(C)cc2)C3=O)c1 2322969305 WBMHRLLFUTWWGK-UHFFFAOYSA-N 427.456 5.097 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2c(OCc3ccccc3F)ccc3ccccc23)cc1C 2322985799 YGCPITWJIITLQB-UHFFFAOYSA-N 440.514 7.079 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)c3C)C2=O)o1 2323232464 INLLGLFZKDTUKS-UHFFFAOYSA-N 439.807 5.293 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1OCC(=O)Nc1ccccc1 2323247521 HKZULTFQSVXJGF-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OCCc3ccccc3)c(Br)c2)cc1 2324162591 CRPOSJBAKMOGTK-UHFFFAOYSA-N 449.388 7.090 30 10 IKEE CCCCCCOc1ccc2c(c1C)OC(=Cc1cc(OC)c(OC)cc1OC)C2=O 2324261858 LEPRNJCZBUSKEH-UHFFFAOYSA-N 426.509 5.596 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2Cl)Oc2cc(OCCCc3ccccc3)ccc21 2324266130 XKVDNDXTRMALPY-UHFFFAOYSA-N 425.311 6.621 30 10 IKEE Cc1cc(C)c(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2cccs2)C3=O)c(C)c1 2324331905 ZKCXRBJTOBKRNT-SFHVURJKSA-N 447.556 6.004 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(Cl)c2)ccc1OCc1cccc(F)c1 2324623346 IAVVMJOVNDKUOP-UHFFFAOYSA-N 440.898 6.362 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cc(OC)c(OCc3cccc(C)c3)c(OC)c2)cc1C 2324628608 UTEFRJRPOLWTMT-UHFFFAOYSA-N 446.543 6.113 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)cc(Br)c1OC 2324688319 TYZMZZLVFDYJGT-UHFFFAOYSA-N 427.294 5.524 30 10 IKEE Cc1cc(C)c(COc2ccc3c(c2C)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1C 2324765339 GBXVKWQAZCAWQP-UHFFFAOYSA-N 426.556 7.239 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OCC(=O)N[C@H](C)c3ccccc3)c2C)C1=O 2325019965 VOERPEFGFXHOTM-LJQANCHMSA-N 427.500 5.176 30 10 IKEE COc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 2325471174 APUXWDKNIAEJRV-UHFFFAOYSA-N 432.524 5.191 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(O)c(O)c1 2325564617 AUYCZXNYANELLY-UHFFFAOYSA-N 437.352 5.123 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(Cl)cc1Cl 2325565399 UTMYBUUUBDYAOM-UHFFFAOYSA-N 439.799 6.365 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(OC(=O)C(C)(C)C)c(OC)cc2Br)c1 2325707325 WQGTYYBVFPOXFM-UHFFFAOYSA-N 447.325 5.314 30 10 IKEE Cc1cc(OCC(=O)Nc2ccccc2C(C)C)cc2c1C(=O)C(=Cc1cccs1)O2 2325726179 ZVKATINRFVGBOQ-UHFFFAOYSA-N 433.529 5.814 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3c(c2)OC(=Cc2c(F)cccc2Cl)C3=O)c1 2325726883 ADHIVBNVVXMGJG-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cccc(C)c3)c2)c(OC)c1OC 2325787079 XERFKZAZJUMGIB-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE CCCSc1nnc(CCc2ccc(OC)c(OC)c2)n1N=Cc1ccc(CC)cc1 2326211760 BBAPGXYTIIKLRC-UHFFFAOYSA-N 438.597 5.027 30 10 IKEE CCCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1ccc(OC)cc1 2326331712 DYOCNZCOTKTOHN-UHFFFAOYSA-N 436.625 6.101 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1ccc(N(CC)CC)cc1 2326442612 MGFCSTFHPHGZHN-UHFFFAOYSA-N 435.641 5.868 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@]23C[C@H](CCN2C(=O)OC(C)(C)C)C3)c1 2326631799 OWAAPBCCXNEVKZ-JVFUWBCBSA-N 441.572 5.418 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2OC)n1N=Cc1cccc(Cl)c1 2328689889 ZNPUAQLXOALHNH-UHFFFAOYSA-N 426.973 5.276 30 10 IKEE Clc1cccc(CSc2nnc(CCOc3ccccc3)n2N=Cc2cccnc2)c1 2329225177 XBWSBZRQAFNZDH-UHFFFAOYSA-N 449.967 5.123 30 10 IKEE CCc1ccc(C=Nn2c(SCc3ccccc3)nnc2-c2ccccc2Cl)cc1 2329572989 MUXDTHYLIADOAN-UHFFFAOYSA-N 432.980 6.335 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCCc3ccccc3)nnc2-c2ccccc2Cl)c1 2329587372 NTAGHIPSESATPA-UHFFFAOYSA-N 448.979 5.830 30 10 IKEE CSc1nnc(Cc2ccc(C)cc2)n1N=Cc1cccc(OCc2ccccc2)c1 2329930010 RUOHEILNENQQDE-UHFFFAOYSA-N 428.561 5.360 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2-c2cccs2)cc1 2330530902 HPZIXKRYAQNNOL-UHFFFAOYSA-N 434.590 5.888 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OC(=O)Cc1cccs1 2330671103 VZZBQAWFZLWAJK-UHFFFAOYSA-N 442.536 6.344 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)c(OC)c2)cc1 2330772797 SXAMVKCJFRQIIS-UHFFFAOYSA-N 445.471 5.590 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(OC)c(OC(=O)CCc3ccccc3)c(OC)c2)c1 2330778062 SJVUSWURJBTTQO-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 2331030175 CNJNYOUGOYLCSH-UHFFFAOYSA-N 438.436 5.275 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Br)c1OC(=O)C(C)C 2331100731 XAVXSHYLJJXMHX-UHFFFAOYSA-N 439.252 5.193 30 10 IKEE Fc1cccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C(F)(F)F)c1 2331143911 ISIVTQYLAMJRKX-UHFFFAOYSA-N 449.260 5.917 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc(Br)c1OC(=O)C(C)(C)C 2331182949 NRDIITSQHRXNFR-UHFFFAOYSA-N 431.326 5.695 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)c1cc(C)cc(C)c1 2331218398 DINWUTMQOCSIKZ-UHFFFAOYSA-N 444.527 6.053 30 10 IKEE COc1cccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2C(C)(C)C)c1OC 2331397734 ZOXYHDGUGCPZAJ-UHFFFAOYSA-N 438.597 5.384 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC(=O)C(C)(C)C 2331429513 CFPKVXJDJARTGX-UHFFFAOYSA-N 434.576 6.569 30 10 IKEE Cc1ccccc1C=Nn1c(CC(C)C)nnc1SCC(=O)Nc1c(C)cccc1C 2331450414 FRPZRXOVSPTTGZ-UHFFFAOYSA-N 435.597 5.015 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3C)c([N+](=O)[O-])c2)cc1F 2331457785 HPIFMMVPPFTNKK-UHFFFAOYSA-N 435.407 5.166 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2)CC1 2331491838 QPHHUBMOTFMGMJ-UHFFFAOYSA-N 432.604 7.608 30 10 IKEE CCc1ccc(C=Nn2c(SCC(=O)Nc3cccc(C)c3)nnc2C2CCC2)cc1 2331493397 FTJHFCGZRZEBQR-UHFFFAOYSA-N 433.581 5.029 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 2331535375 SNLDHPUGWUUAJT-UHFFFAOYSA-N 435.407 5.248 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)[C@@H]3CCCO3)c(Cl)c2)cc1C(C)C 2331575284 KKZFPWFMUCNERI-QHCPKHFHSA-N 442.939 5.761 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(C)c3C)cc2)c1 2331612466 AFBHWLRRZGDUHV-UHFFFAOYSA-N 430.500 5.826 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)cc2)CC1 2331644862 VXQVIRZRTQHQPM-UHFFFAOYSA-N 446.631 7.718 30 10 IKEE C=C1C[C@@H]2CCC[C@H](C1)N2Cc1ccc(I)c(Br)c1 2349797262 PAYVREOIHALEKV-OKILXGFUSA-N 432.143 5.127 30 10 IKEE Brc1cc(COCC#CC2CCCCC2)ccc1I 2349923634 QZWBQGJMEOHIKV-UHFFFAOYSA-N 433.127 5.154 30 10 IKEE CCN[C@@H](C#CC1(SC)CC1)c1cc(Cl)c(NC(=O)OC(C)(C)C)c(Cl)c1 2361363136 VAHMHJZATOIXRL-INIZCTEOSA-N 429.413 5.890 30 10 IKEE CC[C@H](N[C@H](C)c1cnn(Cc2ccccc2)c1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363830780 PYNUKOKWCHCKAA-NLFFAJNJSA-N 445.416 5.033 30 10 IKEE CCCN[C@H](C#C[C@@H]1CC1(C)C)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2365096067 MIJVXBRRSPUDAA-VQIMIIECSA-N 435.406 5.886 30 10 IKEE CCOc1ccc(-c2nc3cc(/N=C/c4cc(Br)ccc4O)ccc3o2)cc1 1511727 ZPFQYCYUIYGTPD-ZMOGYAJESA-N 437.293 6.112 30 10 IKEE CN1/C(=C\C=N\c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)C(C)(C)c2ccccc21 6179471 BQHRFMDHWZGRAH-QRCKZWJJSA-N 442.403 6.013 30 10 IKEE C=CCn1c(SCc2ccccc2C#N)nc2scc(-c3ccc(C)cc3)c2c1=O 8950460 SEHVTUZPUWGEMR-UHFFFAOYSA-N 429.570 5.783 30 10 IKEE COc1ccc(/C=N/c2ccc3cc4ccc(/N=C/c5ccc(OC)cc5)cc4nc3c2)cc1 12576328 MTHIMCQWVKDCCK-GFTXTJKWSA-N 445.522 6.906 30 10 IKEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSc3nc4ccccc4o3)c2C#N)C1 14067311 HMRQUVOVIRORPI-CQSZACIVSA-N 439.606 6.033 30 10 IKEE Oc1ccc(/C=N/c2cccc(C3=NN(c4ccccc4)[C@H](c4ccc(F)cc4)C3)c2)cc1 15773317 HZVUVUIDJLQNPY-KPPCDNTDSA-N 435.502 6.638 30 10 IKEE O=C1CCCC2=C1[C@@H](c1cccs1)N(C(=O)Nc1ccc(F)cc1)c1ccccc1N2 21722356 UXMJPCZSTGZVAR-HSZRJFAPSA-N 433.508 6.100 30 10 IKEE C[C@@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OC(=O)/C=C\c3ccccc3)ccc2C1=O 33489429 REVLGCJWUCABLD-YMRLZPLKSA-N 436.463 5.629 30 10 IKEE COc1cccc(CO/N=C(/C)c2cc(-c3ccccc3)n(-c3ccc(F)cc3)c2C)c1 35843365 JMZKNSPDSZCKBS-CEUNXORHSA-N 428.507 6.541 30 10 IKEE COc1cc(/C=C2\S/C(=N/c3cccnc3Cl)N(C3CCCCC3)C2=O)ccc1O 39864143 VMXWSYNTLWYRSG-SFLUQZEPSA-N 443.956 5.386 30 10 IKEE O=C1/C(=C/c2ccc(Br)cc2)S/C(=N/c2nccs2)N1C1CCCCC1 39865102 UKNVBSGRDZJOFX-ADXGTRPZSA-N 448.411 5.842 30 10 IKEE O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 59426443 BNYROLXUEPTYQK-WOJGMQOQSA-N 425.853 5.400 30 10 IKEE O=C(Nc1cccc(Cl)c1)c1cccc(/N=C/c2c3ccccc3cc3ccccc23)c1 95082139 NNEWHKGHARUMGS-UXHLAJHPSA-N 434.926 7.649 30 10 IKEE C=CCn1c(SCc2nc(O)c3oc4ccccc4c3n2)nnc1-c1cccc(C)c1 96946707 PJQNAFYACWUDHH-UHFFFAOYSA-N 429.505 5.127 30 10 IKEE CCCCCCCCc1c(C)nn(C(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)c1C 100458786 BZEIPIZQVTZBTO-UHFFFAOYSA-N 445.607 6.652 30 10 IKEE CCCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCN(CC)C3 101141918 PNQCCBHKMIBLPK-UHFFFAOYSA-N 441.666 5.888 30 10 IKEE C=C(C)C(=O)NCCCCCc1nc2ccccc2n1CCCCCCCCCCC 102173678 CRXHFTTZFHDZFN-UHFFFAOYSA-N 425.661 6.972 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)/C(=C(\O)c4ccco4)[C@@H]3c3ccc(C)cc3)sc2c1 102911044 FLFRERCQPCCDRT-AGGMBTAESA-N 444.512 5.386 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)c(C)c2cc(C(C)C)ccc21 169870208 JMLCSTXQMHVEAD-UHFFFAOYSA-N 429.608 6.748 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(OCc3cccc(Cl)c3)cc2)NC(=S)N1 169938378 FWUWCOBTIROFEX-HSZRJFAPSA-N 448.975 5.595 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2cccc(C)c2)cc1 169966871 XKJRWOXNLIQEED-XMMPIXPASA-N 426.516 5.152 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@@H]1c1cccc(OC(C)C)c1 169981187 UMDQEQOLDZBEHC-DEOSSOPVSA-N 449.547 5.177 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3O)[C@H]2c2cccs2)cc1 169987400 BMSXDJGSGALQFL-IBGZPJMESA-N 425.893 5.198 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccccn2)ccc1F 169991866 ZXWXCTGQPGQWJF-HSZRJFAPSA-N 430.479 5.435 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]2c2cccnc2)c(C)c1 170008677 DZGLDXORZMCDPO-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2ccccc2C)c1 170037167 NUQJAHPENLNECR-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccccc2C)c1 170037412 OALQEFYYDZSEKC-DEOSSOPVSA-N 427.500 5.485 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccccc2)cc1 170049299 JNJUNCQXESDRBD-HSZRJFAPSA-N 445.946 6.420 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccccc2)cc1 170052787 JGZYAWHYNQXDLE-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2c[nH]c3ccccc23)cc1C 170073976 XMGJYWPFASZGAI-XMMPIXPASA-N 440.474 5.707 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2c[nH]c3ccccc23)s1 170074225 MBJYENCGZZZJSY-HXUWFJFHSA-N 447.491 5.163 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2sccc2C)c1 170105203 ZZCVFDOQAQSLRL-OAQYLSRUSA-N 449.528 5.165 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(OC)cc2)c1 170114650 VQGVYILZLLHCHU-QHCPKHFHSA-N 435.520 5.005 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cc(Cl)ccc3OC)=C(O)C(=O)N2c2ccccc2)c1 170117855 MVGHYGIJKIGMCC-JOCHJYFZSA-N 449.890 5.140 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccccn1 170168141 JZTBPVOHBBNHDH-QFIPXVFZSA-N 446.572 5.528 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccccn1)c1ccc2c(c1)CCCC2 170169427 ZYHSMMIJFPOFFX-QHCPKHFHSA-N 446.453 5.022 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccccc2)c1 170225556 RXJNIHZSEGVBPH-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)cc(Cl)c2OC)[C@H]1c1ccccc1F 170252816 BRKQCXGPHJXFQF-QGZVFWFLSA-N 438.282 5.129 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1c1cccc(F)c1 170270931 NLVQMOZJNJOOPA-VWLOTQADSA-N 437.470 6.070 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccco2)c1 170285528 ZSDKRMRZWPCLNF-QHCPKHFHSA-N 431.488 5.468 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC)c2)[C@@H]1c1c(C)[nH]c2ccccc12 170311799 QWLSGQXTUOCQBH-QHCPKHFHSA-N 432.520 5.253 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1c1ccccc1O 170314551 ADCYVJHNTDBYJB-QFIPXVFZSA-N 445.540 5.424 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2cccc(OC(C)C)c2)cc1C 170348565 IPXRPPCMWOMVIN-DEOSSOPVSA-N 442.515 5.269 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1cccc2ccccc12)c1ccccc1 170370136 HGAXIJOMBQFGKR-XMMPIXPASA-N 439.898 6.276 30 10 IKEE C/C=C\C(=O)NCCCCCc1nc2ccccc2n1CCCCCCCCCCC 205735690 VRDOUSUOYJKHOA-LMXLVEHLSA-N 425.661 6.972 30 10 IKEE Cc1ccc(/N=C2/SCCCN2C(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)cc1Cl 221966367 JGQAOZIPUQAQIF-WOQPXAMISA-N 437.436 6.179 30 10 IKEE CC(C)(C)c1cc(N=C/C=C/C2=C3N(CCC2)c2ccccc2C3(C)C)cc(C(C)(C)C)c1 254402996 PQNSURMKLICNHT-OVBBHXOFSA-N 440.675 8.386 30 10 IKEE CCOC(=O)c1ccc(N=Cc2ccc(C=Nc3ccc(C(=O)OCC)cc3)cc2)cc1 254486242 XXNPRFBDAFEAHG-UHFFFAOYSA-N 428.488 5.541 30 10 IKEE COc1ccccc1C=Nn1c(COc2cc(C)ccc2C(C)C)nc2ccccc2c1=O 254506174 MUKPMFXFAQAFRS-UHFFFAOYSA-N 441.531 5.298 30 10 IKEE COc1ccc(C=NN=C2CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)cc1OC 254824739 KJCBMTPITIADGL-ANAFOTAVSA-N 432.564 5.741 30 10 IKEE CCc1nnc(SCc2ccccc2)n1/N=C\c1ccccc1OCc1ccccc1 526799729 OFEAKBKTSUAGCB-ONUIUJJFSA-N 428.561 5.594 30 10 IKEE CCOc1c(OC)cc(/C=N\n2cnnc2SCc2cccc3ccccc23)cc1OC 526820500 SKTPWWLWZDZQIR-WGARJPEWSA-N 448.548 5.022 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2cccs2)cc1 526829392 GRIFJYAVATZVRI-HAHDFKILSA-N 449.561 5.208 30 10 IKEE CC(C)(C)c1csc(NC(=O)c2cccc(NC(=O)NC3CCCCCC3)c2)c1C#N 586636512 AHTOIJOLPONXRD-UHFFFAOYSA-N 438.597 6.014 30 10 IKEE CC(C)C1CCC([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)CC1 698453181 DIPGRFXINYXTCE-UHYCVJNDSA-N 435.406 6.545 30 10 IKEE CC(C)[C@@H]1CC[C@@H](C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 698459213 VSRJUWUMJPSPBF-HYFFOGBASA-N 435.406 6.545 30 10 IKEE COc1ccc(F)cc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 698482494 OOYRTMCMVOKXGV-KRWDZBQOSA-N 435.293 5.603 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCc3ccc(Br)cc32)cc1 698905918 VUXFPJJVTDZTQC-QFIPXVFZSA-N 427.342 5.864 30 10 IKEE C[C@H]1Oc2ccc(/C(=N/OC(c3ccccc3)c3ccccc3)C3CC3)cc2N(C)C1=O 821228738 QPWCJBMJHVVHNP-CMWIXCNKSA-N 426.516 5.351 30 10 IKEE O=C1/C(=C/c2ccc(N3CCCC3)o2)SC(=Nc2ccccc2)N1Cc1ccccc1 1084110660 ZSAKKLPUNVREFP-IYAWTGHFSA-N 429.545 5.684 30 10 IKEE CC(C)(C)[C@H]1CCc2c(sc(N=Cc3ccc(F)cc3)c2C(=O)Nc2ccccc2)C1 1084227515 MDAYYFUJQRQZSO-SFHVURJKSA-N 434.580 7.041 30 10 IKEE O=C(O)c1ccc(COc2ccccc2C=NN=c2c3ccccc3[nH]c3ccccc23)cc1 1084478615 YZFQOKZQRNSCCA-UHFFFAOYSA-N 447.494 5.533 30 10 IKEE CC(/C=N/N=C1/S/C(=C/c2ccc(O)cc2)C(=O)N1Cc1ccco1)=C\c1ccccc1 1615304821 RYZFYQVDBCMFPR-LOZFHOQXSA-N 443.528 5.547 30 10 IKEE CN(C)c1ccc(/C=C2/SC(=Nc3cccnc3Cl)N(c3ccccc3)C2=O)cc1 1772733397 NGRQXENZPCLJJM-SUYASHRRSA-N 434.952 5.610 30 10 IKEE CCc1ccc(-n2cc(/C=N\NC(=S)Nc3ccccc3)c(-c3ccc(C)cc3)n2)cc1 1857810247 XPLYWKYESTZOBS-PKAZHMFMSA-N 439.588 5.731 30 10 IKEE Cc1ccc(-c2cc(C(=O)Nc3ccccc3C#N)nn2Cc2cccc(Cl)c2)cc1C 1859395432 NZYKGWYVWVWJAU-UHFFFAOYSA-N 440.934 5.993 30 10 IKEE CC(=O)c1c(C)oc(NC(=O)c2ccc(-c3ccc(Br)cc3)nc2C)c1C#N 1859759937 YBUPVXJODUHSJP-UHFFFAOYSA-N 438.281 5.048 30 10 IKEE CCCCCCC(=O)Nc1cccc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c1 1860129907 PJJGBQNHFGQKIP-UHFFFAOYSA-N 425.554 5.035 30 10 IKEE N#Cc1cccc(C(=O)N2CC=C(c3ccc(OC(=O)c4cccc(Cl)c4)cc3)CC2)c1 1860685083 RPNQBPGUKBBQPE-UHFFFAOYSA-N 442.902 5.360 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)COc1ccc(Cl)c(C)c1 1861642466 GEPIJFTYBUOPBT-DEOSSOPVSA-N 439.040 5.569 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)c1cc([N+](=O)[O-])ccc1Cl 1861835552 OGKXOOURXPWLQK-LJQANCHMSA-N 425.957 5.014 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@H]1c1cccc(F)c1 1862391017 QSDYNSCVIJCDKZ-XMMPIXPASA-N 437.555 6.327 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2cccc(OCCC)c2)cc1 1862398640 WLCCNGDHXRXVNL-RUZDIDTESA-N 449.591 6.052 30 10 IKEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@H]2c2ccccc2)cc1 1862413258 YORMHZWCSCTQLC-NPMXOYFQSA-N 449.453 5.313 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(O)cc2)cc1 1862474870 XNBCFSOITFARRL-AVRWGWEMSA-N 441.527 5.603 30 10 IKEE COc1cc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)ccc1O 1862491947 FJYNAMFLEZQVPM-VWQFJMCTSA-N 449.547 5.175 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccccc1Cl 1862502571 DIIWVEPPSAKZNP-OAQYLSRUSA-N 429.919 5.946 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccccc1 1862543916 RETXIZYRKCZOCE-AREMUKBSSA-N 445.603 6.504 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCC2=CCCCC2)c1 1862559554 QUEQNFJUDVBJAN-DEOSSOPVSA-N 446.547 5.136 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc2cc[nH]c2c1 1862596942 XECSDHGALMXFRU-XFEVJDRUSA-N 430.504 5.031 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc(O)c1 1862650280 RTKIEVNLAAFHDG-WQWSHVPRSA-N 441.527 5.702 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@@H]2c2ccccc2)cc1 1862661965 YJSSGTDJFWRYAX-RUZDIDTESA-N 441.527 5.467 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(O)c(O)c2)cc1 1862662639 JSRLBQDVNFGZDT-JOCHJYFZSA-N 449.528 5.061 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 1862664303 HNDFVAXHYJKNIM-DEOSSOPVSA-N 445.515 5.580 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 1862667679 IDGMPNZJOKNKQC-RNODOKPDSA-N 448.346 5.076 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1Cl 1862675875 VQPRYQLIFUYWHK-OAQYLSRUSA-N 445.918 5.264 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2cccc(Cl)c2)cc1 1862689407 PYRVILYVLZQTDE-WAIKUNEKSA-N 447.918 5.688 30 10 IKEE Cc1c(Cl)cccc1NC1=C(c2ccc(F)cc2F)C(=O)N(c2ccc(C#N)cc2)C1=O 1862945128 YDLFRSCDTHXEOB-UHFFFAOYSA-N 449.844 5.195 30 10 IKEE Cc1cc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1F 1863090914 CAYOUTYONYJFQD-UHFFFAOYSA-N 445.881 5.364 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCc2ccccc2)=C(c2ccc(C)cc2)C1=O 1863619783 HCGZVCRYDJELKM-UHFFFAOYSA-N 446.635 6.048 30 10 IKEE CC(C)c1nc(Nc2ccccc2C#N)cc(N2CCN([C@@H](C)c3cccs3)CC2)n1 1868237665 BSAQRKWICDQRQJ-SFHVURJKSA-N 432.597 5.160 30 10 IKEE C=CCn1cc(OCC(=O)Nc2c(C)cccc2C(C)C)c(=O)cc1CSC(C)C 1870249294 LUONWHQSXKWAHK-UHFFFAOYSA-N 428.598 5.125 30 10 IKEE CCCCCCCCn1cc(OCc2cccc(F)c2)c(=O)cc1CN(C)CCCC 1870614445 LZASMRFJXDTOGU-UHFFFAOYSA-N 430.608 6.159 30 10 IKEE CCCCCCCOc1cn(CCCC)c(CNc2ccc(OC)c(Cl)c2)cc1=O 1870830187 HIMBPMRVVOSWFW-UHFFFAOYSA-N 435.008 6.272 30 10 IKEE CCCCCCCOc1cn(CCC)c(CNc2cccc(Br)c2)cc1=O 1870832274 VPPRNCHLNWIXTQ-UHFFFAOYSA-N 435.406 5.982 30 10 IKEE C=CCn1cc(OCc2c(C)cccc2C)c(=O)cc1CNc1ccc(OC)c(Cl)c1 1870920253 KMXRCWUSJDZHJP-UHFFFAOYSA-N 438.955 5.504 30 10 IKEE C#CCOc1cn(Cc2ccccc2C)c(CNc2ccc(Cc3ccccc3)cc2)cc1=O 1871007375 ZWCJAYPVUUSHPB-UHFFFAOYSA-N 448.566 5.420 30 10 IKEE C#CCOc1cn(Cc2ccc(Cl)cc2)c(CNc2ccc(Cl)cc2C)cc1=O 1871010957 UTLGMZDPWLWNBA-UHFFFAOYSA-N 427.331 5.136 30 10 IKEE C=CCn1cc(OCc2ccccc2C)c(=O)cc1CNc1ccc(C(F)(F)F)cc1 1871079502 MJVFIWCPRAQZKQ-UHFFFAOYSA-N 428.454 5.553 30 10 IKEE CC(C)CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(C(C)C)cc1 1871252137 MKHIJQAWHFLMRS-UHFFFAOYSA-N 443.591 6.081 30 10 IKEE Cc1cc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCC(C)C)ccc1Cl 1871252351 WQJXTAPYNJEYRE-UHFFFAOYSA-N 449.982 5.919 30 10 IKEE O=C1/C(=C/c2ccc(Cl)c(Cl)c2)Oc2c1ccc1c2CN(C2CCCCCC2)CO1 1871347589 JEINRFVBZGYOTN-UUYOSTAYSA-N 444.358 6.484 30 10 IKEE Cc1ccc(CCN2COc3c(cc4c(c3C)O/C(=C\c3cccc(F)c3)C4=O)C2)cc1 1871358686 ALLGOMDPDMDETP-CFRMEGHHSA-N 429.491 5.453 30 10 IKEE C=CCOc1cccc(C(=O)Nc2ccc3oc(-c4ccccc4Cl)cc(=O)c3c2)c1 1871359294 ZFJZSKJZMWMCRS-UHFFFAOYSA-N 431.875 5.931 30 10 IKEE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O 1871381185 MJWQRDOOODZATK-CDSBARFGSA-N 447.830 5.483 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871381674 BMUKZUHYQNNLEY-UCQKPKSFSA-N 428.440 5.064 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)c(OC)c1 1871386425 ULWZEDFABMQCDO-MXAYSNPKSA-N 444.483 5.663 30 10 IKEE COc1ccc(/C=C2\Oc3c(CN4CCCc5ccccc54)c(O)cc(C)c3C2=O)cc1 1871395537 VQUCEULGYGJGCI-IWIPYMOSSA-N 427.500 5.278 30 10 IKEE COc1ccc2c(c1)c(/C=C1\Oc3cc(OCCc4ccccc4)ccc3C1=O)cn2C 1871400346 YKIGHYIMAZFLOR-WGARJPEWSA-N 425.484 5.425 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(O[C@H](C)C(=O)Nc3ccc(C)cc3)ccc2C1=O 1871405012 BBPBPMDUOJVJIX-SDPDQUOZSA-N 443.499 5.416 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)c1 1871412610 WSWGAGMNEOYBML-WGGCHOPXSA-N 439.511 5.882 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1cc(C)c2c(c1)O/C(=C\c1cccc(C)c1)C2=O 1871429742 WMOOLYXCZZGFAA-RRDPUDRWSA-N 436.548 6.201 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(Cl)cc4)cc(C)c3C2=O)c1 1871440970 QFPJXZZLHQRPJW-UUYOSTAYSA-N 449.890 5.291 30 10 IKEE Cc1cc(OCC(=O)Nc2nccs2)cc2c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O2 1871442139 BFMULNXXZRPMJZ-JAIQZWGSSA-N 434.517 5.209 30 10 IKEE CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2cccs2)C3=O)cc1 1871449025 REJWCTBBMXSDBG-NXUSMQHESA-N 447.512 5.281 30 10 IKEE Cc1cccc(COc2ccc3c(c2C)O/C(=C\c2ccc(Br)cc2)C3=O)c1 1871455000 GJPOEXNVMXPPIK-XKZIYDEJSA-N 435.317 6.261 30 10 IKEE CCCCCCCCN=c1nc(N(CCC)CCCC)[nH]c(=Nc2ccc(C)c(F)c2)[nH]1 1871580327 KYJLMJAKCWDUJU-UHFFFAOYSA-N 444.643 5.695 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc3n[nH]cc3c2)[nH]c(N(CCC)CCC)n1 1871629472 MRSPHACDIRFIJW-UHFFFAOYSA-N 438.624 5.312 30 10 IKEE C=CCN=c1nc(N(CCCC)CCCC)[nH]c(=Nc2cc(C(C)C)cc(C(C)C)c2)[nH]1 1871673513 BMZWDTIHUBHVII-UHFFFAOYSA-N 438.664 5.710 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872064869 IDOFNDMVJGPVHU-QHCPKHFHSA-N 446.588 5.125 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)C(C)C)S(=O)(=O)CCC 1872325305 OKLRPEYOLHSSRY-QHCPKHFHSA-N 436.662 5.514 30 10 IKEE Cc1ccc(C)c(CC(=O)[C@@H](C#N)c2nc(-c3cccc(Br)c3)cs2)c1 1872764170 FNTRKKFTJCNORP-GOSISDBHSA-N 425.351 5.608 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3cc(OC)ccc3OC)n2)cc1 1872768504 VDRHGJAFWXGGAQ-OEMHODTASA-N 434.517 5.116 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@@H](C#N)C(=O)COc2ccc(Cl)cc2)n1 1872781909 ZXTIOHMQUHGTMT-SFHVURJKSA-N 426.925 5.344 30 10 IKEE N#C[C@H](C(=O)Cc1ccccc1[N+](=O)[O-])c1nc(-c2cc(Cl)ccc2Cl)cs1 1872787979 UNBNICUZIKPACC-CQSZACIVSA-N 432.288 5.444 30 10 IKEE CCCCCCCCCCNC(=O)c1cccc(COc2ccccc2Br)c1 1872836536 FASUOBYGKOKZER-UHFFFAOYSA-N 446.429 6.899 30 10 IKEE CCSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1ccccc1Cl 1874225247 ARVNKFCIRPKHGH-BUVRLJJBSA-N 428.989 5.554 30 10 IKEE CSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874229260 ANZAAVLRYGSLNT-YSURURNPSA-N 440.878 5.442 30 10 IKEE C=CCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1cc(OC)ccc1OC 1874270406 USSZXXLRNOWJSZ-YZSQISJMSA-N 444.560 5.200 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccccc1OC 1874282996 KIQSIDZWNWJDKL-ZVHZXABRSA-N 426.973 5.276 30 10 IKEE CCCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc(N(C)C)cc1 1874284727 VIRLFSAIEUFQNK-LFVJCYFKSA-N 428.005 5.167 30 10 IKEE Cc1cccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2cccnc2)c1C 1874323601 YHEXYBHGDNLCLP-CVKSISIWSA-N 429.549 5.043 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccc(C)cc2)cc1 1874349111 VPEFZMZFWLFCEV-JVWAILMASA-N 446.551 5.500 30 10 IKEE CCCSc1nnc(COCc2ccccc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874355251 UWKDTDBEADSAKP-FSJBWODESA-N 435.380 5.686 30 10 IKEE Cc1cccc(/C=N/n2c(COCc3ccccc3)nnc2SCc2ccccc2F)c1 1874355344 JVSKRMYFBWBSEL-JFLMPSFJSA-N 446.551 5.617 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2/N=C/c2ccncc2)cc1C 1874360483 IZYXHNAGULIUCY-JFLMPSFJSA-N 447.995 5.709 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2)n1/N=C/c1cc(Cl)ccc1O 1874395815 WJZOSOWGRJEOPW-CIRUFVMISA-N 448.979 5.963 30 10 IKEE Cc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 1874399038 WBVIBVOPPOANGT-WPWMEQJKSA-N 430.552 5.685 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2)n1/N=C/c1cccc(Br)c1 1874402869 MWXWEUJYPXACRQ-OEAKJJBVSA-N 441.398 5.376 30 10 IKEE Fc1ccc(CSc2nnc(Cc3cccs3)n2/N=C/c2ccc(Cl)cc2)cc1 1874410559 ZUNCJEXXUQHPAT-ZMOGYAJESA-N 442.972 5.897 30 10 IKEE O=[N+]([O-])c1ccccc1/C=N/n1c(SCc2cccc(F)c2)nnc1-c1cccs1 1874421694 ZISAMEIUCCFZGG-WSDLNYQXSA-N 439.497 5.228 30 10 IKEE CCCN(CCC)C(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1ccc(CC)cc1 1874429440 JXLVDRCKEHVSKK-NLRVBDNBSA-N 449.624 5.130 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CCCC2)c(F)c1 1874456489 VFMBZIAOZYQDHW-BRJLIKDPSA-N 432.927 6.042 30 10 IKEE Fc1cccc(Cl)c1/C=N/n1c(SCc2ccccc2Cl)nnc1C(F)(F)F 1874461466 OLSRIPQUUXBPNS-KTZMUZOWSA-N 449.260 5.917 30 10 IKEE FC(F)(F)c1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccccc1Cl 1874462515 XMSLEYQSJJTLDL-RPPGKUMJSA-N 446.885 6.278 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1/N=C/c1ccc(Cl)cc1Cl 1874475954 AWYRHKGVIMCGDH-WYMPLXKRSA-N 437.371 6.241 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(OC)cc1 1874480185 LYSBAZKTKVSBDF-ZMOGYAJESA-N 449.407 6.111 30 10 IKEE Cc1ccsc1/C=N/n1c(SCC(=O)Nc2c(C)cccc2C)nnc1C(C)(C)C 1874481992 TWQFECMHTSEDQB-FSJBWODESA-N 441.626 5.175 30 10 IKEE Cc1ccc(CSc2nnc(C3CCC3)n2/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1874493662 YBXZGXGCJMNCQT-FSJBWODESA-N 441.944 5.590 30 10 IKEE COc1cc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2C(C)C)cc(Cl)c1O 1874513691 LKRJZPWZTJMQMY-BHGWPJFGSA-N 444.988 5.560 30 10 IKEE CCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874527841 HMFFLXLAUMSSCW-LSHDLFTRSA-N 437.352 5.036 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2cc(C)ccc2C)cc1OC 1874572852 JAQINOKDHIETDK-JXMROGBWSA-N 436.935 6.449 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccccc1OCc1c(Cl)cccc1Cl 1874581325 HYOALGBVOFETMK-VAWYXSNFSA-N 427.327 6.786 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1C(C)C 1874598396 KGRGJBQKRIRVBS-JLHYYAGUSA-N 434.963 7.256 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cccc(OCC(=O)Nc2cc(C)cc(C)c2)c1 1874599567 SPDHVDBFMZDPOI-MDZDMXLPSA-N 443.543 5.842 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cccc(OCC(=O)Nc2ccccc2)c1 1874600269 COAJXQPJOZETKU-VAWYXSNFSA-N 435.907 5.571 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1OCc1cccc(C)c1 1874606209 CGQVAXHUUKPZFF-UXBLZVDNSA-N 427.327 6.786 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(F)cc1 1874613129 DKXMYWJLFDHEEL-NYYWCZLTSA-N 431.290 6.616 30 10 IKEE C=C(C)COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1Br 1874615539 CYSWDGCQMJSGOU-XVNBXDOJSA-N 426.137 6.607 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OCc2ccccc2Cl)cc1 1874634804 UXMZLWFIDUKTLC-FMIVXFBMSA-N 427.327 6.786 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OC(=O)c1ccc(F)c(F)c1F 1874713764 MWKGKKLJKHRUMA-BJMVGYQFSA-N 440.417 5.845 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(OC)cc2)CSc2nnc(C3CCC3)n21 1874880756 QQMAIXAPOQGALR-OAQYLSRUSA-N 442.629 5.616 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 1875100295 XWSIOQPMARRTIA-VGOFMYFVSA-N 425.311 6.671 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)c1ccc(CC)cc1 1875133589 BVQZPDGNOFRVLP-XNTDXEJSSA-N 428.528 6.380 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)c3ccccc3)c(OC)c2)c1 1875146938 HUEHHXZWFIYWGG-LVMGUKCRSA-N 446.499 5.318 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2[N+](=O)[O-])c1 1875151104 VBLUGKHTQZYLLW-ZZXKWVIFSA-N 445.427 5.056 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)c1ccccc1 1875156549 AOUQDLPSOOGAFD-SFQUDFHCSA-N 440.539 6.662 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3c(C)cc(C)cc3C)cc2[N+](=O)[O-])cc1 1875183206 PBUINNNWOJPITO-PKNBQFBNSA-N 443.499 5.873 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)c1ccccc1 1875185867 SGQLOTULWNMICI-NTCAYCPXSA-N 428.528 6.416 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc1OCC 1875192237 AHPXMIGBPRLKIW-NTCAYCPXSA-N 432.516 6.239 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N(CCO)CCCC)n2CC(C)C 1875209890 FKSJXOBTNXSGGK-UHFFFAOYSA-N 445.652 5.094 30 10 IKEE C=C1C[C@@H]1C[C@@H](NCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875650359 GYNQNWONMXULSM-GEBXHLAXSA-N 443.587 5.822 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@@](C)(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)cc1 1912168087 RNUZEHMVOAHWMS-OAQYLSRUSA-N 430.509 5.320 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](O)c1ccc(NC(=O)OC(C)(C)C)cc1 1922056367 DKVPOZFNIGEQJM-BJKOFHAPSA-N 440.584 5.208 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1csc(CNC(=O)OC(C)(C)C)c1 1922126313 SPKLLMRQOIRMIF-QFIPXVFZSA-N 430.614 5.587 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@@]1(C#N)N(CC1CC1)C(=O)OC(C)(C)C 1924938701 FEJJLWJVRVXIKK-KOSHJBKYSA-N 433.593 5.001 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 1944736436 NKHDNYMAWHNSTH-MOPGFXCFSA-N 433.524 5.249 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)cc1Br)NCC 2028184806 PUYHSJGCZMYSCJ-IAGOWNOFSA-N 431.802 5.093 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H](CNC(=O)OC(C)(C)C)CC(C)C)c1 2033648794 IUHANJVNDWRSNA-TZIWHRDSSA-N 445.604 5.816 30 10 IKEE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2037935827 MVPZPLPOACBALH-WOJBJXKFSA-N 437.559 5.618 30 10 IKEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@]1(C#N)CC[C@@H](C)C[C@@H]1OCc1ccccc1 2043776923 TWRFSPQCIPLNOH-JJTGBXKASA-N 443.632 5.233 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2)cc1)c1ccc(OC(F)F)cc1OC(F)F 2053614242 ICFWZBMJTGHPOY-UHFFFAOYSA-N 446.396 6.365 30 10 IKEE CCOc1ccc([C@@H](n2nc(C(F)F)c(C=NO)c2Br)C(C)(C)C)cc1 2080120377 ZTLMYTFZRLZBMX-OAHLLOKOSA-N 430.293 5.426 30 10 IKEE Fc1cc(-c2c(C3CCC3)nn(C(F)(F)F)c2Br)ccc1C(F)(F)F 2080784914 DSTUQDOYQXNCAY-UHFFFAOYSA-N 431.149 6.214 30 10 IKEE C=CCN(CC[C@H](NCCC)c1cc(Br)ccc1F)C(=O)OC(C)(C)C 2099286753 BZSQNEISPOYFCK-SFHVURJKSA-N 429.374 5.442 30 10 IKEE CC(C)[C@H](C)N(Cc1ccccc1)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(F)(F)F 2116144159 CNDGIPIUBMTCBL-SFHVURJKSA-N 447.350 6.056 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)C1(C#N)CC(C2CCCCC2)C1 2151221461 GPWDXGLWXIZFMZ-UHFFFAOYSA-N 433.390 6.443 30 10 IKEE C=CCC[C@H](C)[C@@H](NCCC)[C@@H](O)c1cc(Br)c(Br)s1 2158322726 DWRQZQWPVWYBSQ-GDLCADMTSA-N 425.230 5.277 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H](Nc1ccc(C#N)c(Br)c1F)C1CCCCC1 2162410626 PQTNQLGWBCDHMY-MRXNPFEDSA-N 440.357 5.345 30 10 IKEE Cc1cc(Br)c(C(=O)N(CCC#N)CC(C)C)cc1NC(=O)OC(C)(C)C 2181047570 PDKGTJRYKQJEAO-UHFFFAOYSA-N 438.366 5.116 30 10 IKEE Cc1ccc(NC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2Br)cc1C#N 2199375362 VWXHBZLMNPFHRK-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE C=CCCC[C@H](NCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229119311 BRRBYQKJSXMIOX-RBUKOAKNSA-N 425.411 5.219 30 10 IKEE Cc1ccc(C#C[C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1 2231169919 AQIDQNHQRMKRGO-MUUNZHRXSA-N 434.535 6.238 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Cl)c(Cl)c(Cl)c1 2232514552 VCCXTMINLQMDOW-AEFFLSMTSA-N 435.823 6.547 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)[C@H]([C@H](C)CC)N(C)C(=O)OC(C)(C)C 2235721689 BFKMGVINIKQMRN-AHRSYUTCSA-N 437.422 5.060 30 10 IKEE CN[C@H](C#Cc1ccccc1Br)c1cc(NC(=O)OC(C)(C)C)ccc1C 2237309454 AJVXGQNFHDCJPE-HXUWFJFHSA-N 429.358 5.417 30 10 IKEE CCCN[C@H](C#CC1CCCCC1)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2260981973 QQSFNDZJMBDWKK-SDUSCBPUSA-N 442.644 5.437 30 10 IKEE C=CCC1(COc2ccc(N)cc2Br)CCN(C(=O)OC(C)(C)C)CC1 2272144707 XYXJYJFPYRKMBJ-UHFFFAOYSA-N 425.367 5.004 30 10 IKEE C=CC[C@]1(COc2nccc(C)c2Br)CCCCN1C(=O)OC(C)(C)C 2272233827 IALPNNMASARDSO-HXUWFJFHSA-N 425.367 5.267 30 10 IKEE CN[C@H](CC=CC#CC(C)(C)C)c1cc(I)ccc1Br 2284158973 MUJIDJUSLKBCCE-MRXNPFEDSA-N 446.170 5.310 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)c2cc(Br)cc(C(C)(C)C)c2)C1 2288787126 UQSHOJHKYLKAJS-UHFFFAOYSA-N 436.390 5.790 30 10 IKEE C=CCN1C(=O)C(=Cc2cc([N+](=O)[O-])ccc2OCc2ccccc2Cl)SC1=S 2293250196 JIUOZIIBMSTVIA-UHFFFAOYSA-N 446.937 5.214 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(Nc2ccc(Br)cc2)C[C@H]1C(F)(F)F 2294636980 PPKMJXSWVZKOAU-YOEHRIQHSA-N 448.283 5.085 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]([C@@H](C)CC)N(C)C(=O)OC(C)(C)C 2296221363 HYLICYZNVJCQEY-DBVUQKKJSA-N 437.422 5.060 30 10 IKEE CC[C@@H](CCNC(=O)OC(C)(C)C)CC[C@@H](C#Cc1ccc(Br)cc1)NC 2296307488 VEGRAEVBSDTMIU-XLIONFOSSA-N 437.422 5.110 30 10 IKEE COc1ccc(C(O)=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)C)cc2)cc1C 2296608265 IJKRRXXQVUBBKI-HSZRJFAPSA-N 446.503 5.050 30 10 IKEE O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@H](c2ccccc2)C1=C(O)c1ccccc1 2296928132 SBBXHXHFEBWASW-HXUWFJFHSA-N 430.460 5.062 30 10 IKEE O=C1C(=Cc2cccc(Cl)c2)CN(Cc2ccccc2)CC1=Cc1cccc(Cl)c1 2297333956 MFHOLABOFBYEGK-UHFFFAOYSA-N 434.366 6.545 30 10 IKEE CC(C)(C)OC(=O)NC1([C@@H](C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)CCCCC1 2302436464 AIJMBSWNQGYFBN-MRXNPFEDSA-N 436.557 5.044 30 10 IKEE C=CC[C@@](C)(CC)[C@@H](O)c1sc(Br)c(Br)c1Br 2304124225 BSVZJKUXVHRMGF-CMPLNLGQSA-N 447.030 6.061 30 10 IKEE O=C(Nc1cccc(C#CC=Cc2cccc(NC(=O)c3ccccc3)c2)c1)c1ccccc1 2313534812 CGIFFCNABVBOSQ-UHFFFAOYSA-N 442.518 6.256 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C)n2N=Cc2ccc(Cl)cc2Cl)c1C 2321086077 AIZLPWCGICIVLZ-UHFFFAOYSA-N 448.379 5.123 30 10 IKEE COc1ccc(C=C2Oc3c(ccc4c3CN([C@@H]3CCCC[C@H]3C)CO4)C2=O)c(OC)c1 2322145950 DYMFQPCQRZFFMV-IIBYNOLFSA-N 435.520 5.051 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1cccc(Cl)c1)O3)CN(C1CCCCCCC1)CO2 2322178976 YIEUTHXQXTUHKA-UHFFFAOYSA-N 437.967 6.529 30 10 IKEE CCc1ccc([C@H](C)N2COc3c(cc4c(c3C)OC(=Cc3ccc(C)o3)C4=O)C2)cc1 2322456898 LYGXBIZHSHDESA-SFHVURJKSA-N 429.516 5.988 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccccc2C=CC(=O)c2ccc([N+](=O)[O-])cc2)c1 2322467067 WBHUCCHRPYHOHF-UHFFFAOYSA-N 430.460 5.125 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2c(OCc3ccccc3C)ccc3ccccc23)cc1 2322607372 KQLKCGJGBZOXPB-UHFFFAOYSA-N 436.551 7.412 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2cccc3ccccc23)cc1 2322737801 RTGXSTHWNASRSA-UHFFFAOYSA-N 440.970 8.092 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc(OC)c(OC)c4)c3C)C2=O)cc1 2322748652 OTLOVYHKXFZEON-UHFFFAOYSA-N 444.483 5.410 30 10 IKEE O=C(Cc1cccs1)Oc1ccc2c(c1)OC(=Cc1ccccc1OC(F)F)C2=O 2322864025 KNJFDCYPFTZVRN-UHFFFAOYSA-N 428.412 5.114 30 10 IKEE CC(C)Oc1c(Br)cc(C=NNc2ccc(Cl)cc2)cc1Br 2322953101 BBSLLPNZGFDVKA-UHFFFAOYSA-N 446.570 6.098 30 10 IKEE C=CCOc1c(C=CC(=O)c2cc(Cl)ccc2OC)cc(Br)cc1OC 2323022819 NJSBZONIAWBODF-UHFFFAOYSA-N 437.717 5.581 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)cc(Cl)c1OCc1ccc(F)cc1 2323608920 SXHILOAJVDYMTH-UHFFFAOYSA-N 445.317 7.006 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3cc(OC(=O)CCc4ccccc4)ccc3C2=O)cc1 2323720428 VKYVFSVROLAAME-UHFFFAOYSA-N 426.512 6.139 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(OC)c1OCc1cccc(F)c1 2323800666 KVRMYADGUNTTEE-UHFFFAOYSA-N 436.910 6.691 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(C)c2)C3=O)cc1 2323828904 GHBSAGUFYXAXHF-UHFFFAOYSA-N 428.484 5.928 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3cc(C)ccc3C)c(OC)c2)c(OC)c1 2324478145 YKZCAIUYQOBLDF-UHFFFAOYSA-N 432.516 5.804 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCCCOc3ccc(OC)cc3)ccc2C1=O 2324697048 KUGDNOKWCJWJTO-UHFFFAOYSA-N 446.499 5.558 30 10 IKEE N#Cc1ccc(COc2ccc3c(c2)OC(=Cc2cccc(Br)c2)C3=O)cc1 2324756837 JTLPPYRSLTTXKW-UHFFFAOYSA-N 432.273 5.516 30 10 IKEE COc1ccc(C=C(C(=O)Nc2c(C#N)cnn2-c2ccccc2F)c2ccccc2)cc1 2325348326 QOIGTHAUCHKTOP-UHFFFAOYSA-N 438.462 5.071 30 10 IKEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1c(Cl)cccc1Cl 2325631313 GRISVEZVJDRSIE-UHFFFAOYSA-N 446.190 6.375 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OC(=O)c1ccc(F)cc1F 2325741552 ISDVTBBRDMWOTP-UHFFFAOYSA-N 426.390 5.536 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC(=O)c2cncc(C)c2)c1 2325752786 LGBQJLVVICYFTG-UHFFFAOYSA-N 429.516 5.811 30 10 IKEE CCCc1nnc(SCc2ccccc2)n1N=Cc1ccc(OC(C)C)c(Cl)c1 2326220691 VVYWXRBYGPUDBW-UHFFFAOYSA-N 428.989 5.846 30 10 IKEE COc1cc(C=Nn2c(C)nnc2SCc2ccc(Cl)cc2)cc(Cl)c1OC 2326350156 LGTWGKHQFAJIOG-UHFFFAOYSA-N 437.352 5.085 30 10 IKEE CCCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc(OCC)cc1 2328075566 OXMZBOPFJQBDBQ-UHFFFAOYSA-N 428.989 5.500 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2)n1N=Cc1cccc2ccccc12 2328754371 SQHKGKJPQPTZOH-UHFFFAOYSA-N 430.577 5.827 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2N=Cc2ccccc2C)cc1 2329383692 OQMZZGDKAXXJFN-UHFFFAOYSA-N 440.616 6.277 30 10 IKEE CCSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1cc(Br)ccc1F 2329416064 JCBFPSHBYZRCKK-UHFFFAOYSA-N 447.377 5.382 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2Cl)n1N=Cc1cccc(OC)c1OCC 2329576955 ZMPXCPCOHMRDJE-UHFFFAOYSA-N 442.972 5.556 30 10 IKEE Cc1ccc(C=CC(=O)Nc2cccc3c(OC(=O)c4cccc(C#N)c4)cccc23)cc1 2329654150 FHVKDQIFNSUGQB-UHFFFAOYSA-N 432.479 5.891 30 10 IKEE O=C(CCCOc1ccccc1)Oc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1 2330621459 OAZNVZZCPDJPQE-UHFFFAOYSA-N 431.444 5.256 30 10 IKEE Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1N=Cc1ccc(F)cc1 2330651417 VKMWXJJKHOEDNS-UHFFFAOYSA-N 445.523 5.006 30 10 IKEE COc1ccccc1C=Nn1c(SCc2ccccc2Cl)nnc1-c1ccccc1 2330674772 BASDDATUXVIAKH-UHFFFAOYSA-N 434.952 5.782 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)c(C)c3)c(Cl)c2)cc1 2330743617 DIQWDVZPIDQZNA-UHFFFAOYSA-N 432.947 6.563 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1cccs1 2330824077 XVKRVHUPWYUSNC-UHFFFAOYSA-N 433.312 6.179 30 10 IKEE Cc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2c(Cl)cccc2Cl)cc1 2330858160 ATEUSACEGOROTQ-UHFFFAOYSA-N 447.435 6.656 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(C=CC(=O)c3ccccc3Cl)cc2Cl)c1 2330919456 WTIUZNGPFTUEBL-UHFFFAOYSA-N 425.311 6.726 30 10 IKEE C=CCN(C(=O)C=Cc1ccc(OCc2ccccc2)cc1)C1CCC(C(C)(C)C)CC1 2330949115 MPDFPDVTBZOWRM-UHFFFAOYSA-N 431.620 6.898 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2331018010 GXGFOLZIQKUBCX-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)c2ccc(-c3ccccc3)cc2)cc1 2331051249 NGFUNRHTRCLGRE-UHFFFAOYSA-N 434.491 6.478 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)c(Cl)c1 2331061373 JUBCOBDBKPTOLE-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC(=O)CCc1ccccc1 2331154686 IGZUOBSDPSNBHR-UHFFFAOYSA-N 434.919 6.173 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)c1ccc(F)cc1 2331232121 WGLJULGIOVOJOF-UHFFFAOYSA-N 444.502 6.295 30 10 IKEE Cc1ccc(C=Nn2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2C(C)(C)C)cc1 2331377253 BVGPADNPLQFPGW-UHFFFAOYSA-N 435.597 5.114 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccc(Cl)cc3)cc2)cc1 2331491775 LOHOWOMIEIANDE-UHFFFAOYSA-N 432.947 6.898 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc1[N+](=O)[O-] 2331549995 VQOAGVAPISXNNM-UHFFFAOYSA-N 439.508 5.893 30 10 IKEE C=C(C)CSc1nnc(C(C)C)n1N=Cc1ccc(N(CC)Cc2ccccc2)cc1 2331698003 FYUGBVGNKWPHJP-UHFFFAOYSA-N 433.625 5.978 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc(OC)c1OC(=O)C(C)(C)C 2331801450 XKBGXRKAMNLJSW-UHFFFAOYSA-N 448.603 6.877 30 10 IKEE CC(C)C[C@@H](COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339600011 PQCFLGSUQUCENZ-HYSAVQALSA-N 446.397 5.044 30 10 IKEE Cc1ccc(C(=O)N2CC[C@](C)(B3OC(C)(C)C(C)(C)O3)C2)cc1NC(=O)OC(C)(C)C 2342474817 WZYRGOWQFPLAJN-DEOSSOPVSA-N 444.381 5.040 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)[C@@H]1C[C@H]1C1CCOCC1 2357747945 YNUSDLDFJMFZHR-OTWHNJEPSA-N 435.362 5.145 30 10 IKEE CCCCCCCCC[C@@H](NC)c1ccc(OCc2ccccc2)cc1Br 2361195696 RBTKJBJKLJKXSX-XMMPIXPASA-N 432.446 7.429 30 10 IKEE C=CCN(C[C@H](NCCC)c1cc(Br)cc(COC)c1)C(=O)OC(C)(C)C 2362281437 NOOSQYDGFSEHBR-IBGZPJMESA-N 441.410 5.059 30 10 IKEE C=CCn1c(S[C@@H](C)C(=O)OC(C)C)nc2scc(-c3ccc(C)cc3)c2c1=O 8950555 KRRKOOXXVUPGKR-HNNXBMFYSA-N 428.579 5.052 30 10 IKEE C/C(=N\Nc1nc(SCC(=O)N(c2ccccc2)c2ccccc2)n[nH]1)c1ccccc1 21081360 NCQIEINKCZNBTA-NLRVBDNBSA-N 442.548 5.098 30 10 IKEE COc1ccccc1-n1c(SCc2cccc(C#N)c2)nc2cc(Cl)ccc2c1=O 21135620 SPHSWOQCPIUIJQ-UHFFFAOYSA-N 433.920 5.212 30 10 IKEE COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2OC)c1 21218830 WDGCUGFWJBGAGP-MYUZEXMDSA-N 426.516 5.683 30 10 IKEE CC(C)Oc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(Cl)c(Cl)c2)C3)cc1 21219602 FBHBALWZTZWJOQ-SJLPKXTDSA-N 444.358 5.785 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2F)cc1 21238856 FCZNGMWZIUOPOR-HMILPKGGSA-N 442.534 6.594 30 10 IKEE O=C1CCCC2=C1[C@H](c1cccs1)N(S(=O)(=O)c1ccccc1)c1ccccc1N2 21722852 JAXVMSWGKWXILJ-QHCPKHFHSA-N 436.558 5.117 30 10 IKEE C=C(C)CN/C(S)=C(/C(=O)c1ccccc1Br)[n+]1ccc(C(C)(C)C)cc1 22796660 ZNKGICRVRJRCRF-UHFFFAOYSA-O 446.434 5.139 30 10 IKEE C=CCC[C@@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1 36305549 HMZISNBDPKLXJD-JOCHJYFZSA-N 449.595 5.427 30 10 IKEE COC(=O)c1ccc(/C=C2\S/C(=N/c3nc(C)cs3)N(c3ccccc3)C2=O)cc1 39865507 WRRMHILDJGSHSS-FRYIGISESA-N 435.530 5.047 30 10 IKEE COc1ccc(CCn2c(O)c(/N=N/c3cccc4ccccc34)c(C)c(C#N)c2=O)cc1 39870959 GKVPGPYRUVIDFO-ZQHSETAFSA-N 438.487 5.554 30 10 IKEE C=CCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2[C@H]1c1cccc(OCCC(C)C)c1 39910816 PNHPRVJLGHFEAV-HSZRJFAPSA-N 431.532 5.566 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(C(C)(C)C)cc1 40096753 NXJCHIKTXINGCB-QHCPKHFHSA-N 449.547 5.134 30 10 IKEE C=C(C)Cn1c(CCCCCNC(=O)c2cccc(Br)c2)nc2ccccc21 40213643 ZAAXMYXAOKAQEU-UHFFFAOYSA-N 440.385 5.518 30 10 IKEE COc1ccc(OCCCC(=O)Nc2sc(=S)c3c(c2C#N)CC[C@@H](C)C3)cc1 41015609 DWOVZTICPVFUPW-CQSZACIVSA-N 428.579 5.280 30 10 IKEE Cc1cccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCCc2ccccc2)C4)c1 41647598 MFTLFZSMMGVVMY-XYGWBWBKSA-N 425.528 5.704 30 10 IKEE C=CCn1c(SCCC(=O)Nc2ccc(OC(F)(F)F)cc2)nnc1-c1ccccc1 59776340 XRAWURAFFPVBOJ-UHFFFAOYSA-N 448.470 5.151 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/N=C2\C[C@H]3CC[C@@]2(C)C3(C)C)cc1 101933444 QVYSZSMDRFLBPE-AJAAFDEASA-N 426.564 6.169 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)/C(=C(\O)c4ccco4)[C@@H]3c3cccs3)sc2c1 102909502 SMGNDBIWXRKMJC-VZCCSQPZSA-N 436.514 5.140 30 10 IKEE CCCCCCCCCCCC(=O)N1CCC2(CC1)NC(=O)c1ccc(Cl)cc1N2 102999836 KLGJQHXSQTZZKY-UHFFFAOYSA-N 434.024 5.735 30 10 IKEE O=C1ON=C(c2ccccc2)/C1=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12 103446171 QNJCHTIBPTZZFL-LFVJCYFKSA-N 439.898 6.417 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@@H]2c2ccc(OC)cc2)cc1 169923135 AQRQRBXJEIBVFD-DEOSSOPVSA-N 443.499 5.049 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2CCC)cc1 169975995 MTKAVIVGYFOKDR-XMMPIXPASA-N 435.564 5.861 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@H]2c2cccnc2)ccc1F 170004864 OOFNLPSRJHUZFS-FQEVSTJZSA-N 440.833 5.105 30 10 IKEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1sccc1C 170107347 NIMFWOLHDWKWRI-QFIPXVFZSA-N 448.588 5.130 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2C2CCCC2)c1 170121556 LQNBDKVKARTQFD-XMMPIXPASA-N 449.547 5.312 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccc(O)cc2)c1 170131930 QIBAWIICWHSFEA-XMMPIXPASA-N 443.499 5.271 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@H]1c1ccc(O)cc1 170136699 LBYFFXWSNZBHRZ-JOCHJYFZSA-N 437.536 5.077 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccs2)c(OCC)c1 170159159 WHTOQAPNSSIZDP-JOCHJYFZSA-N 449.528 5.328 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@H]1c1cccs1 170164890 UNYMSGKIHRIUBO-HXUWFJFHSA-N 427.566 5.433 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccncc2)cc1C(C)C 170199247 DQNJIPIFIFLMAF-HSZRJFAPSA-N 446.478 5.136 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccccc2)cc1 170230075 WGXJVTUVXWWHKU-VWNXMTODSA-N 449.547 5.013 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2)cc1C(C)C 170231396 BISJGIZEYJENKI-VWLOTQADSA-N 447.575 6.038 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1cccc(O)c1)c1ccc2c(c1)CCCC2 170256786 ULPBFUCFSJYZDV-HSZRJFAPSA-N 445.540 5.111 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccc(C)o2)c(OC)c1 170299978 YYDIGHWKXOERGX-HSZRJFAPSA-N 447.487 5.005 30 10 IKEE Cc1[nH]c2ccccc2c1[C@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1c1ccc(Cl)cc1 170404438 QPSIEYAVESAQSX-NRFANRHFSA-N 448.931 5.974 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(Cl)cc2)cc1O 170409098 IAINEEOSYGAQBK-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1cccs1 170422468 YNTUSTBIPNOHHG-GOSISDBHSA-N 445.327 5.228 30 10 IKEE CC(C)c1ccccc1/N=C1/SCCCN1C(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 221966454 VVBWSYMUQVRZET-VGMKZIJQSA-N 431.045 6.341 30 10 IKEE N#Cc1ccc(Nc2ccc(I)cc2Cl)cc1Br 232150827 QKKJDWQBDMOSAG-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE O=C(N=C1N=C2C=CC(Br)=CN2Cc2ccccc21)c1cc2ccccc2o1 254790738 JFXQORZHSVIAOP-UHFFFAOYSA-N 432.277 5.040 30 10 IKEE C=C(C)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@]3(C)CC[C@H](O)C(=C)[C@@H]3[C@@H](O)C[C@]21C 257545310 SSBVUUVGCIMTCL-GNCLZEOWSA-N 426.685 6.526 30 10 IKEE biogenic CC(C)(C)OC(=O)N1CCC2(C=C(B3OC(C)(C)C(C)(C)O3)c3ccccc3C2)CC1 382636972 GFFHNHMVORTUIU-UHFFFAOYSA-N 425.378 5.275 30 10 IKEE CC(C)c1ccc([C@H]2C(c3cccc4ccccc34)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526492437 XOCOZKKGQZLVMM-NDEPHWFRSA-N 444.534 6.892 30 10 IKEE CCOc1ccc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2ccccc2C#N)cc1OCC 526605926 GWXRKFZHTJZZKP-QHCPKHFHSA-N 446.528 5.474 30 10 IKEE Cc1nnc(SCc2ccccc2)n1/N=C\c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 526800269 YPWAMOIBYDCKAW-YSMPRRRNSA-N 436.625 6.062 30 10 IKEE Clc1ccc(CSc2nncn2/N=C\c2ccccc2COc2ccccc2)cc1 526806659 PFSOUQYIGCYOMX-WGARJPEWSA-N 434.952 5.685 30 10 IKEE CCOc1ccc(/C=N\n2c(C)nnc2SCc2cccc3ccccc23)cc1OC 526821220 HKOQGCWWDDJZES-MYYYXRDXSA-N 432.549 5.322 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)/C=C/c3cccc(F)c3)C2)c1 586005086 KJNXPXJVXZGFHT-XXFRDUSWSA-N 449.570 5.098 30 10 IKEE C=CCN(Cc1ccc(Br)cc1F)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586142340 GUBDUEDCJYYDPS-UHFFFAOYSA-N 440.378 5.263 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)C[C@H]2CCCO2)cc1 586179693 FNOJRFRIUZQFIM-XMMPIXPASA-N 440.609 5.051 30 10 IKEE CC(C)COc1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(F)cc2)cc1 586203714 CLBSNWFCEYKGAH-UHFFFAOYSA-N 438.524 5.128 30 10 IKEE CC(C)OCCCNC(=O)Nc1ccc(C(=O)Nc2scc(C(C)(C)C)c2C#N)cc1 586637107 YTRKIWFPVDJHII-UHFFFAOYSA-N 442.585 5.106 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)cc1 698897689 ZPEJCAAIEKAVOC-UJAPCULTSA-N 441.572 5.274 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@@H]3C[C@@H](CN3C(=O)OC(C)(C)C)C2)c1 709362131 HHUVVAPMWDAMQD-KNOQFWTLSA-N 441.572 5.418 30 10 IKEE N#Cc1nc(-c2ccc(Br)cc2)c(-c2ccc(Br)cc2)nc1Cl 725331969 ACAJMJQDTQSHNN-UHFFFAOYSA-N 449.533 5.861 30 10 IKEE CCOc1ccc(NS(=O)(=O)c2ccc(N=Cc3ccc(Cl)cc3Cl)cc2)cc1 1083981510 JPTPSJLLIYSWIT-UHFFFAOYSA-N 449.359 5.944 30 10 IKEE C=C1CCC(CNC(=O)CSCc2nc(O)c3c(-c4ccccc4)csc3n2)CC1 1597397747 JDXCLYWFTJMZML-UHFFFAOYSA-N 439.606 5.160 30 10 IKEE CC(=C\c1ccccc1)/C=C1/S/C(=N/N=C/c2ccccc2O)N(Cc2ccco2)C1=O 1615301646 DQGIMOIJYALVHJ-LOZFHOQXSA-N 443.528 5.438 30 10 IKEE O=C1/C(=C/c2ccc3c(c2)OCO3)SC(=Nc2ccncc2Cl)N1C1CCCCC1 1772733606 ACJDRQVCUUTNQI-GCXSFWCZSA-N 441.940 5.400 30 10 IKEE C/C(=C1/SC(=Nc2cccnc2Cl)N(c2ccccc2)C1=O)c1ccc(C)c(C)c1 1772736150 XCDPASYMIMHMHO-FODUTYMCSA-N 433.964 6.551 30 10 IKEE CCCCCCCCCOc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 1860143970 GBVJUOBJFMRHLC-UHFFFAOYSA-N 429.557 6.094 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 1862395329 XNJUXZCFTQUJEU-OAQYLSRUSA-N 446.374 6.324 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1cccc(C)c1 1862400925 POSKVVYLPQXBCA-VWLOTQADSA-N 449.591 6.251 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862429543 PMKNSGVHJVMLKM-UZUQRXQVSA-N 431.919 5.988 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCCCO)[C@@H]1c1cccc2ccccc12)c1ccccc1Cl 1862435436 WHJBUUPUFRVORB-HSZRJFAPSA-N 449.934 5.234 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccc(F)cc1)c1cccc(Cl)c1 1862444190 XNEHRTYMIVIWQU-NRFANRHFSA-N 427.903 5.780 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc2cc[nH]c2c1 1862476918 GMRFEYQBQUVCQZ-XMMPIXPASA-N 446.547 5.261 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(C(F)(F)F)cc1 1862495884 XDTCFUZMQGUMJX-NRFANRHFSA-N 445.481 6.091 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2cccc(Cl)c2)ccc1F 1862503164 RMBPXMCKUOJRCB-UPNLOYSTSA-N 441.930 5.945 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1ccccc1 1862513887 BBYDDRQVZPXNLY-VWLOTQADSA-N 449.591 6.414 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(O)c(OC)c1 1862531199 IKQOYILILBSJKK-QHCPKHFHSA-N 437.536 5.122 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1C 1862580720 QJXUYESRJKFVFK-FQEVSTJZSA-N 448.346 5.307 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CC)c1 1862585943 IOEBQGNLPMZAGI-LJQANCHMSA-N 434.319 5.380 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2ccccc2F)cc1 1862590219 DMIPXJJSKVWJSN-GYCJOSAFSA-N 445.490 5.433 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(C(F)(F)F)cc1 1862595945 BLRDDVLJCHSFSV-LJQANCHMSA-N 433.426 5.035 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)c1 1862598065 QXRRUCATQGNGAX-OSPHWJPCSA-N 443.499 5.130 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(O)c(OC)c1 1862620445 RWFNRKNMRCZILP-QFIPXVFZSA-N 437.536 5.077 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2cc(Cl)cc(Cl)c2)cc1 1862667408 AHEKPUADUPWMOL-RBZFPXEDSA-N 448.346 5.076 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CCc2cccs2)cc1 1862703849 ZCKAEOMORKYHSO-QHCPKHFHSA-N 447.556 5.140 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(O)cc1 1862712815 AHRMWTSFSHQCCM-WXTAPIANSA-N 449.506 5.885 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc(Br)c1 1862718489 BKTDKLXAVVHBLF-OAQYLSRUSA-N 448.316 5.367 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(OC)cc1 1862725228 DESPDYBIHLLCSH-DEOSSOPVSA-N 427.500 5.351 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2)=C(c2ccc(OC)c(OC)c2)C1=O 1863156547 XJIYIYVLHFVHOL-UHFFFAOYSA-N 436.552 5.256 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)C[C@@H]2CCCC[C@H]2c2ccccc2)c1 1866151088 HCVDEEKEDAEHGZ-ZCYQVOJMSA-N 436.555 6.400 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC(C)C)c1ccc(OC)c(Br)c1 1868196439 IROYXLFFWQMIJP-FQEVSTJZSA-N 440.466 6.844 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)c2ccccc2)n(-c2ccc(Cl)c(Cl)c2)n1 1870003715 HDGPTBULZICURV-UHFFFAOYSA-N 428.323 5.005 30 10 IKEE Cc1ccccc1-c1ccc(-n2nnc(C#N)c2NC(=O)/C=C/c2cccc(Cl)c2)cc1 1870143725 YLVFZKYCONMZFQ-NTEUORMPSA-N 439.906 5.420 30 10 IKEE CCCCCCCCn1cc(OCc2cccc(F)c2)c(=O)cc1CSC(C)(C)C 1870167461 RLBBIXRRKYIOCQ-UHFFFAOYSA-N 433.633 6.959 30 10 IKEE C=CCn1cc(OCCC(C)C)c(=O)cc1CSc1nc2ccc(OC(F)F)cc2[nH]1 1870234026 SNYISHWBYDTRFK-UHFFFAOYSA-N 449.523 5.229 30 10 IKEE C=CCOc1cn(Cc2ccccn2)c(CNc2ccc(Cc3ccccc3)cc2)cc1=O 1870812420 UAMSQILRAVAEHR-UHFFFAOYSA-N 437.543 5.059 30 10 IKEE COc1ccccc1/C=C1\Oc2c(ccc(OC(=O)/C=C/c3ccc(F)cc3)c2C)C1=O 1871366007 NCIBHSJQSATALO-DYAARSSKSA-N 430.431 5.378 30 10 IKEE CCOc1ccc(CCC(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2)C3=O)cc1OC 1871368848 RFKPXEBMIYPCNV-XYGWBWBKSA-N 444.483 5.248 30 10 IKEE Cc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)cc1C 1871372212 FVCFDJUTJMNJOZ-MYYYXRDXSA-N 440.539 6.745 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccncc1)C2=O)c1cccc(OCc2ccccc2)c1 1871388854 MNKNAFSXULGTLN-YSMPRRRNSA-N 449.462 5.496 30 10 IKEE CC(C)C(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2)C3=O)cc1 1871390821 KXUSFWFAUDQDDF-UCQKPKSFSA-N 428.440 5.083 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(O[C@H](C)C(=O)Nc3cccc(C)c3C)ccc2C1=O 1871413179 BIKUVGCPTHYLIQ-DBXOKZBGSA-N 443.499 5.334 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2cccc(F)c2)C3=O)c(C)c1 1871414355 TVUGDTRWLYEMTA-SMNNTEATSA-N 445.490 5.773 30 10 IKEE CC(=O)c1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2sccc2C)C3=O)cc1 1871421954 DNTJERIVGZFJQP-MTJSOVHGSA-N 447.512 5.201 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccc(C#N)cc4)cc(C)c3C2=O)cc1 1871436205 QEUWIZBZKWKRNA-WTZXFZKGSA-N 438.483 5.197 30 10 IKEE Cc1c(OCCC(=O)Nc2ccccc2)ccc2c1O/C(=C\c1ccc(N(C)C)cc1)C2=O 1871447170 OKWAZHBIZOEXPL-ULJHMMPZSA-N 442.515 5.085 30 10 IKEE C=C(C)CN([C@@H](CC)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1cccs1 1872221676 QFDFYDLCTREYID-IBGZPJMESA-N 434.627 5.030 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(Cl)c(C)c1)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1872316217 WXOVRUSTKHQIAK-JTSKRJEESA-N 449.016 5.269 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1 1872427080 GHHDKIIWAQIGOO-JOCHJYFZSA-N 449.016 5.331 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(C)C 1872613864 WPSOWJYQDZYKTJ-QFIPXVFZSA-N 438.678 5.172 30 10 IKEE N#Cc1ccc(NC(=O)c2ccc3nc(-c4ccccc4OCc4ccccc4)[nH]c3c2)cc1 1872735122 GPVOSSUMXZUCRH-UHFFFAOYSA-N 444.494 5.933 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1 1872770377 RHWVIRWUZVXJBA-MRXNPFEDSA-N 441.896 5.651 30 10 IKEE Cc1cc(-c2csc([C@H](C#N)C(=O)c3c(Cl)ccc(Cl)c3Cl)n2)ccc1F 1872772761 SDUGAFMZSKNVOD-LLVKDONJSA-N 439.726 6.708 30 10 IKEE N#C[C@@H](C(=O)Cc1ccc(Br)cc1)c1nc(-c2c[nH]c3ccccc23)cs1 1872777101 GSAYMAWPVYGNMG-INIZCTEOSA-N 436.334 5.473 30 10 IKEE N#C[C@H](C(=O)Cc1ccc(Cl)cc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872779305 GXPIOACIJRECFR-JOCHJYFZSA-N 444.943 6.675 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@@H](C#N)C(=O)Cc2ccc(F)c(C)c2)n1 1872783646 FGCVTOHIAWJGPK-INIZCTEOSA-N 428.916 5.647 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@H](C#N)C(=O)c2ccc3nc(C)c(C)nc3c2)n1 1872789099 YBYLAZNVVZNJKL-QGZVFWFLSA-N 448.935 5.522 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(OCC)c(OCC)c2)=C(c2cccc3ccccc23)C1=O 1873182732 AZEUGPPUFATPCD-UHFFFAOYSA-N 442.515 5.015 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2C)=C(c2c(C)cc(C)cc2C)C1=O 1873331352 GWFKELADVQCHDP-UHFFFAOYSA-N 432.608 6.473 30 10 IKEE N#Cc1cccc(Nc2[nH]c(=NCCC3=CCCCC3)nc3c2cnn3-c2ccccc2)c1 1873477198 HEUSUUMCOIZEOG-UHFFFAOYSA-N 435.535 5.155 30 10 IKEE CCCCCCCCCCNC(=O)c1cc2c(N3CCC[C@H](C)C3)ncnc2n1CC 1873570939 PMTYXMUYVJUYAN-FQEVSTJZSA-N 427.637 5.558 30 10 IKEE C=CCn1c(C(=O)Nc2cc(Cl)cc(Cl)c2)cc2c(N3CCCCCC3)ncnc21 1873655508 HONYNJPRLXHBBM-UHFFFAOYSA-N 444.366 5.557 30 10 IKEE C=CCn1c(C(=O)Nc2cc(Cl)cc(Cl)c2)cc2c(N3CCCCC3)ncnc21 1873669000 KCYOEDNJLXAMRP-UHFFFAOYSA-N 430.339 5.167 30 10 IKEE CCCCCCCCNC(=O)COc1ccc(-c2cc3cccc(OC)c3oc2=O)cc1 1873891836 MIHKARYEBCXZSP-UHFFFAOYSA-N 437.536 5.324 30 10 IKEE CCCOc1cccc(/C=N/n2c(CCc3ccccc3Cl)nnc2SCCC)c1 1874279618 MVNFKNYMLRSTDQ-KOEQRZSOSA-N 443.016 5.890 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1ccccc1Cl 1874327224 CSSAXTULLLFOSJ-WYMPLXKRSA-N 426.973 5.678 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3C)n2/N=C/c2ccccn2)c1 1874362517 IWFAFJLPWHWTAX-OGLMXYFKSA-N 441.604 5.558 30 10 IKEE CCCOC(=O)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(CC)cc1 1874369533 FJBHWKIVJYJLMB-ZVHZXABRSA-N 442.972 5.088 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(CC2CCCCC2)nnc1SCc1ccccc1 1874407964 YLBWNNIMSAGQGY-OVVQPSECSA-N 448.636 6.363 30 10 IKEE Cn1cccc1/C=N/n1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1 1874430677 SVWCKYNPQHDWCO-ZMOGYAJESA-N 442.375 5.765 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2ccc(F)cc2)nnc1[C@@H]1CCCO1 1874442804 LKBRBHCZQHWIBT-XAOCGEIJSA-N 440.544 5.232 30 10 IKEE Cc1ccsc1/C=N/n1c(SCc2cccc3ccccc23)nnc1[C@H]1CCCO1 1874449499 DKZVEZRSICMWGC-LSCMLXDISA-N 434.590 5.827 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C(C)(C)C)cc1 1874485097 DXHVBGNRNMPALS-WPWMEQJKSA-N 444.604 6.302 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc(Br)cc1 1874511108 KRKFGNDLYPCKAK-WSDLNYQXSA-N 449.805 5.821 30 10 IKEE CC(C)c1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(Br)cc1 1874511860 DZJAUVNIFXESIQ-SSDVNMTOSA-N 433.350 5.478 30 10 IKEE Cc1ccccc1COc1ccc(/C=N/n2cnnc2SCc2cccc(Cl)c2)cc1 1874540296 MBUAKGQPPIMNIS-MZJWZYIUSA-N 448.979 5.993 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Cl)cc(OC)c1OCc1cc(C)ccc1C 1874576911 MSQJKLKSHQYGPM-VAWYXSNFSA-N 436.935 6.449 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl)c1cccc(Cl)c1 1874577451 OBEDGYULYKLYTO-VQHVLOKHSA-N 435.709 7.261 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OCC(=O)Nc1c(C)cccc1C 1874594768 BTQBSGLIQHSRER-ACCUITESSA-N 449.934 5.879 30 10 IKEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-] 1874601416 KFTNJHAXZKJDTN-RIYZIHGNSA-N 445.471 5.490 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3ccccc3F)c(OC)c2)cc1 1874606441 NVDCJQBQUWNCRQ-DTQAZKPQSA-N 448.534 6.661 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 1874624773 UXCSAWVNKNBKRT-OQLLNIDSSA-N 445.515 6.376 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(Cl)c(OC)cc2OC)cc(OC)c1OCCC 1874631684 PDSMNBFOVWZQMF-MDZDMXLPSA-N 430.928 5.779 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccccc3[N+](=O)[O-])c2)cc1 1874695838 UZKZGENUKNZDLO-SAPNQHFASA-N 443.499 5.982 30 10 IKEE CCOc1ccc(CC(=O)Oc2cc(/C=C/C(=O)c3ccc(OC)cc3)ccc2OC)cc1 1874696659 KSGPXAWNQBXKHH-VIZOYTHASA-N 446.499 5.147 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cccc(OC(=O)CC23CC4CC(CC(C4)C2)C3)c1 1874698850 QRVLXIPGRKKYFM-MDZDMXLPSA-N 430.544 6.103 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(F)cc3F)c2)cc1OC 1874699745 KYOYWHPRPLIIFI-UXBLZVDNSA-N 438.426 5.026 30 10 IKEE CCCC(=O)Oc1cc(/C=C/C(=O)c2cc(C)ccc2C)c(Br)cc1OC 1874703591 XAYWVDOBGJPTTJ-MDZDMXLPSA-N 431.326 5.676 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccccc3-c3ccccc3)c2)cc1 1874709541 GQWJNFUOSASUEI-HMMYKYKNSA-N 446.546 7.592 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC(=O)c1ccco1 1874710583 FFBBSYLKFXNUFQ-CSKARUKUSA-N 434.488 5.844 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccccc3Cl)c2)c(OC)c1 1874714246 LSUNXEXSQDWTML-JLHYYAGUSA-N 436.891 5.401 30 10 IKEE CCCCCCCCC(=O)Nc1ccc(C(=O)CCN2CCN(c3ccccc3)CC2)cc1 1874757541 ZHANCLWBBFZBHA-UHFFFAOYSA-N 449.639 5.771 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(OC(C)C)cc2)CSc2nnc(C)n21 1874825730 SWYVFSKXBYUKHJ-OAQYLSRUSA-N 430.618 5.436 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(OC)c1OC(=O)c1ccncc1 1875096166 AAZLNLXWTJDGCL-JXMROGBWSA-N 439.467 5.367 30 10 IKEE O=C(COc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1[N+](=O)[O-] 1875113495 KBRCZEZXSLRCCR-ZRDIBKRKSA-N 437.835 5.129 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1Br)c1cccnc1 1875120836 MOPZVVDPLVDPPE-XVNBXDOJSA-N 444.231 5.238 30 10 IKEE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2)cc1 1875123106 WAHGDBOXRGEIJW-KCCVMSORSA-N 448.946 6.732 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1cccc(Cl)c1 1875125661 ULDXSTCRNXPWNA-WUXMJOGZSA-N 441.310 6.507 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(Cl)c3)c(Cl)c2)ccc1F 1875141713 QLWBRPNCSJOUTL-WEVVVXLNSA-N 429.274 6.556 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 1875149052 WBPZZQJZAOLODZ-CNHKJKLMSA-N 442.511 6.025 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)COc1c(C)cccc1C 1875159334 NSYXFCKJDYLZOF-NTUHNPAUSA-N 434.463 5.332 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)CCCOc1ccccc1C 1875159531 STXVRUMAMFEIKQ-OQLLNIDSSA-N 448.490 5.803 30 10 IKEE CCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)cc1Cl 1875167901 NWXJKMTXERHIJA-FNORWQNLSA-N 427.711 6.257 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1OCC 1875169922 FPCDHHKRCRXXNA-FYWRMAATSA-N 436.592 7.091 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)c1ccncc1 1875175032 VUOJUNSQOFMWRX-SOFGYWHQSA-N 435.907 5.866 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC(C)C)c(OCC)c2)c(OCC)c1 1875179364 GXBZRRPRIMUCGJ-UKTHLTGXSA-N 440.536 5.730 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)cc21 1891274653 NCGWVNWZTRYEPR-UHFFFAOYSA-N 449.429 5.167 30 10 IKEE C#CCOC1CCN(C(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)CC1 1891834798 PGQJEMSXZCDNCA-UHFFFAOYSA-N 447.538 5.218 30 10 IKEE CCCCCCCCC[C@@H](NCC)c1sc(Br)cc1Br 1922908856 HLJXPXZANOACPB-CQSZACIVSA-N 425.274 7.064 30 10 IKEE CC(C)[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)CN1Cc1ccccc1 1942593626 MLJZASNFEWNDIH-BVAGGSTKSA-N 425.617 5.749 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)CC12CC2 1949375434 YKBQBXWKWFVPTQ-XMMPIXPASA-N 427.545 5.254 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)CC12CCC2 1949850227 JVSOKBYSCHUBIE-XMMPIXPASA-N 433.593 5.382 30 10 IKEE C=CC1(C[C@H](NC)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)CCC1 2002639341 PAJATNBJSYFFAB-NVQXNPDNSA-N 428.617 5.165 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@H]1CN(C(=O)OC(C)(C)C)CC12CCCC2 2006547442 NIHKZZXJURTNMK-XZOQPEGZSA-N 428.617 5.165 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC[C@]2(C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)C1 2009512008 YPYCJGHLIFTPJU-HSZRJFAPSA-N 447.963 5.375 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C12CCCCC2 2017320706 KRIGGPWJFCYGDN-HXUWFJFHSA-N 447.498 5.002 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)CC2CCN(C(=O)OC(C)(C)C)CC2)c1 2045574554 IEMZVWVWJXRLBP-NRFANRHFSA-N 443.588 5.666 30 10 IKEE N#C[C@H](Nc1ccc(Br)cc1)c1cc(Br)ccc1Br 2088098925 ZYRJEMOEEKDTCQ-AWEZNQCLSA-N 444.952 5.651 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Br)c(Cl)c1F 2089288957 LUONDAYGUYHEFL-RHSMWYFYSA-N 447.776 5.199 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@@]1(C#N)CN(Cc2ccccc2)C2(CCCC2)C1 2100065992 CZGHUVROOAOOJJ-MHZLTWQESA-N 449.570 6.048 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCCCCCC1(F)F 2152778116 LQJFQPFUGYFRBG-IBGZPJMESA-N 443.332 6.442 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H](Nc2cc(Br)ccc2C#N)CC12CCCCC2 2155304822 HODDBJYAQRYMHS-KRWDZBQOSA-N 434.378 5.445 30 10 IKEE CCC[C@]1(CNc2ccc(Br)cc2C#N)CCCCN1C(=O)OC(C)(C)C 2162410794 QVYIPQOLDPSGNW-OAQYLSRUSA-N 436.394 5.693 30 10 IKEE CC[C@H]1CN(c2ccc(C#N)c(Br)c2F)[C@H](CC)CN1C(=O)OC(C)(C)C 2174808895 SZYSIHBZKBFQEI-CABCVRRESA-N 440.357 5.074 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)C1(C(F)(F)F)CCCC1 2177880263 PPFTXKQVCWSNLW-HNNXBMFYSA-N 447.295 6.205 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(F)c(Br)cc1F 2198179800 HGUINESXZYSTAN-MSOLQXFVSA-N 447.364 5.628 30 10 IKEE CCCCC#CC[C@@H](NCCC)c1cc(I)ccc1Br 2203826108 YQFPCNUSMGYFAU-QGZVFWFLSA-N 448.186 5.678 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCC)c2ccc(Br)cc2Cl)C1 2222752380 SQSAPDVLQGMSFQ-INIZCTEOSA-N 429.786 5.367 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)C#Cc2ccc(Cl)cc2)c1 2230998274 BPRAJGREBWNLCX-UHFFFAOYSA-N 434.717 5.684 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCC[C@H](C(C)(C)C)C1 2238177520 GNGOYKOLHMJOBB-KSFYIVLOSA-N 435.406 6.689 30 10 IKEE C=CCCCCCCCC[C@H](N)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2256735349 KTSMZCGHNICLPI-DEOSSOPVSA-N 444.660 6.074 30 10 IKEE C[C@H](NC(=O)OC(C)(C)C)c1cccc(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)c1 2267002452 ZJLZGIJZJJAXKL-INIZCTEOSA-N 444.381 5.227 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1cc(F)ccc1Cl 2268129842 LZGPUFMIYZGWLT-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2cccc(F)c2)cc1 2296091582 VEXIJUURWJQFRF-OAQYLSRUSA-N 444.487 5.370 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@H](CCC)CNC(=O)OC(C)(C)C 2296284863 VJVRVHOAGSTLJX-QUCCMNQESA-N 437.422 5.110 30 10 IKEE Cc1ccc(NC(=S)NN=Cc2cn(-c3cccc(C)c3)nc2-c2cccs2)cc1 2296405247 SWCDDHWKOUOMFS-UHFFFAOYSA-N 431.590 5.538 30 10 IKEE CC[C@]1(C)N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2300005701 AFWYBTQSICKMHU-ZEQRLZLVSA-N 429.561 5.500 30 10 IKEE CCOc1cc(C=Nn2cnnc2SCc2cccc3ccccc23)ccc1OC(C)C 2318571352 IOPYBMXJYHRJRL-UHFFFAOYSA-N 446.576 5.792 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccccc1OC(C)C 2321028619 YWGDVYSYXNZRJC-UHFFFAOYSA-N 430.577 5.955 30 10 IKEE CCSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1N=Cc1ccccc1C 2321359295 SUDZUXTZDSTQAK-UHFFFAOYSA-N 449.407 5.899 30 10 IKEE O=C1C(=Cc2c(Cl)cccc2Cl)Oc2c1ccc1c2CN(Cc2ccncc2)CO1 2321978861 MLDRYWPHABMXEY-UHFFFAOYSA-N 439.298 5.357 30 10 IKEE Cc1ccccc1COc1ccc(Cl)cc1C=CC(=O)c1ccc(Cl)c(Cl)c1 2322585851 LIKZGENMIGLVKI-UHFFFAOYSA-N 431.746 7.430 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(C)cc2)c1OCC(=O)NC1CCCCC1 2322593436 KFZSGWKBSGMSAD-UHFFFAOYSA-N 441.955 5.381 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc(Cl)cc4)c3C)C2=O)cc1 2322703680 GUHHJEFWEFFZCB-UHFFFAOYSA-N 434.875 5.883 30 10 IKEE CCCOC(=O)COc1c(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cccc1OC 2322775346 NMKUQHYAOSTWHA-UHFFFAOYSA-N 440.536 5.229 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OCC(=O)Nc1c(C)cccc1C 2323138784 UCZSXKCVKJPSGK-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OCc2cccc3ccccc23)c1 2323303428 ZPQQBCRODKHSEB-UHFFFAOYSA-N 434.579 7.921 30 10 IKEE COc1ccccc1C=C1Oc2cc(OC(=O)c3c(F)cccc3Cl)cc(C)c2C1=O 2323353556 OMZXEOGDXMMVHW-UHFFFAOYSA-N 438.838 5.632 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)ccc1OCc1cccc2ccccc12 2323620120 YHXJHMRIXRCMDA-UHFFFAOYSA-N 442.942 7.367 30 10 IKEE COc1cc(Br)cc(C=NNc2nc(-c3ccc(C)cc3C)cs2)c1OC 2323840636 CVXXVLCWHLUUHV-UHFFFAOYSA-N 446.370 5.653 30 10 IKEE CCN(Cc1ccccc1)c1ccc(C=NNc2nc(-c3ccc(C)c(C)c3)cs2)cc1 2323852546 CAOAKNDVHHPNIP-UHFFFAOYSA-N 440.616 6.899 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2OC)cc(OC)c1OCc1ccccc1F 2324010088 CDUBVPRJZKHUOF-UHFFFAOYSA-N 446.518 6.355 30 10 IKEE Cc1cc(OCCc2ccccc2)cc2c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O2 2324283572 PIQFHQNUHYLIFE-UHFFFAOYSA-N 425.311 6.540 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1 2324332170 HDKOQQQNGKRZCH-UHFFFAOYSA-N 441.571 6.396 30 10 IKEE CCOc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 2324366267 JKKXUMFDISXKLF-LJQANCHMSA-N 434.517 5.116 30 10 IKEE C[C@@H](Oc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O)C(=O)Nc1ccccc1Cl 2324388888 COLQAZFHIOWGJP-QGZVFWFLSA-N 445.902 5.918 30 10 IKEE CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccco2)C3=O)cc1 2324521483 DLOCAKBVIOUFLQ-MRXNPFEDSA-N 433.460 5.009 30 10 IKEE COc1cccc(C(=O)C=Cc2cccc(OC(=O)C(c3ccccc3)c3ccccc3)c2)c1 2325707367 BQCLZIMSYPNSRD-UHFFFAOYSA-N 448.518 6.329 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc3c(c2C)OC(=Cc2cccc(Cl)c2)C3=O)c1 2325740908 CVMJSKUASRALJE-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2cccc(OC(=O)Cc3cccs3)c2)cc1Cl 2325766515 SLKFEPLEWPBXSX-UHFFFAOYSA-N 447.339 6.108 30 10 IKEE CSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1N=Cc1ccc(F)cc1 2325829126 TXLVWXXECWHQJV-UHFFFAOYSA-N 426.561 5.330 30 10 IKEE C=CCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1ccc(Cl)cc1Cl 2328499603 DESTXACZYVFMAT-UHFFFAOYSA-N 448.335 5.244 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2cccnc2)cc1C 2328791249 VLWRBKSGPQZWTD-UHFFFAOYSA-N 429.549 5.043 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2cccs2)c(C)c1 2328898884 KHPFAMLELRGMCZ-UHFFFAOYSA-N 434.590 5.710 30 10 IKEE CCCSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1ccc(C(C)(C)C)cc1 2328965510 SGUVPZGACHOXPP-UHFFFAOYSA-N 434.653 6.362 30 10 IKEE Fc1cccc(CSc2nnc(COCc3ccccc3)n2N=Cc2cccs2)c1 2329317347 CBWSRQQDNZXWFD-UHFFFAOYSA-N 438.553 5.370 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2cccn2C)cc1C 2329430401 CAOLZTLZQDCMMO-UHFFFAOYSA-N 429.593 5.041 30 10 IKEE Cc1ccc(Cc2nnc(SCCCO)n2N=Cc2c(Cl)cccc2Cl)cc1C 2329453201 VRLJDFAEIKNDDS-UHFFFAOYSA-N 449.407 5.149 30 10 IKEE CSc1nnc(CCc2ccccc2)n1N=Cc1ccc(OCc2ccccc2)cc1 2330154819 QGBZASMZYGOCQP-UHFFFAOYSA-N 428.561 5.246 30 10 IKEE Clc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2-c2ccccc2)cc1 2330675000 ZYLQHKRORCRCGF-UHFFFAOYSA-N 439.371 6.426 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(F)cc1F 2330873184 MQKUIEANJJXIJM-UHFFFAOYSA-N 434.943 5.973 30 10 IKEE FC(F)(F)c1ccc(C=Nn2c(SCCc3ccccc3)nnc2[C@@H]2CCCO2)cc1 2330967866 HTASTNYCMDTSPU-IBGZPJMESA-N 446.498 5.365 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(SCCc3ccccc3)nnc2C2CCCC2)cc1 2331086532 GMADFQIAQVEXML-UHFFFAOYSA-N 432.637 6.450 30 10 IKEE FC(F)(F)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1cccs1 2331155085 VFAJQASFLWNUGL-UHFFFAOYSA-N 437.299 5.840 30 10 IKEE Fc1ccccc1C=Nn1c(SCc2c(F)cccc2Cl)nnc1-c1ccco1 2331232165 AJEYTVAXYDIJKL-UHFFFAOYSA-N 430.867 5.644 30 10 IKEE Fc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2-c2ccco2)c(F)c1 2331237146 WQXJHADWHHXJFT-UHFFFAOYSA-N 448.857 5.783 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCSC)c(Cl)c2)cc1 2331304849 KNGSYMOOMDHWGQ-UHFFFAOYSA-N 432.969 6.074 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3C)c(Cl)c2)ccc1F 2331336099 MYNAJLYHQODKDF-UHFFFAOYSA-N 436.910 6.530 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccccc2F)c([N+](=O)[O-])c1 2331362941 WHXQFZPFYPZQEN-UHFFFAOYSA-N 435.407 5.166 30 10 IKEE CC(C)(C)c1nnc(SCc2ccccc2F)n1N=Cc1ccc(Br)cc1 2331397120 KDTPWZFTUITRIC-UHFFFAOYSA-N 447.377 5.652 30 10 IKEE Cc1ccccc1C=Nn1c(CC(C)C)nnc1SCc1ccc(Cl)cc1Cl 2331471143 QQXQZDPIJQZXOV-UHFFFAOYSA-N 433.408 6.266 30 10 IKEE CCOc1cc(C=Nn2c(SCc3cc(C)ccc3C)nnc2C2CCC2)ccc1O 2331526153 YTBOKWUMZVQNJL-UHFFFAOYSA-N 436.581 5.441 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CCC2)cc1 2331547821 AGCJMYSRTWMNBM-UHFFFAOYSA-N 426.973 5.772 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OC(=O)C(F)(F)F 2331589536 RQHUDIYKWJHUOD-UHFFFAOYSA-N 436.426 5.499 30 10 IKEE CCCc1nnc(SCc2ccccc2C)n1N=Cc1cccc(Br)c1 2331633419 XSCMYGQVLQSBTD-UHFFFAOYSA-N 429.387 5.476 30 10 IKEE Cc1ccccc1NC(=O)CSc1nnc(C2CC2)n1N=Cc1ccc(C(C)(C)C)cc1 2331734246 AOSTWUUISXXTNY-UHFFFAOYSA-N 447.608 5.374 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OCC)cc2OCC)cc1OCC 2331736608 NEZWPFLIKWYRCX-UHFFFAOYSA-N 440.536 5.874 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)CC2CCCCC2)cc1 2331752462 KQPIRRZWWBIAKM-UHFFFAOYSA-N 426.940 6.429 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)cc(OC)c1OC(=O)CCCC 2331864026 JOMSOJSHUNIYML-UHFFFAOYSA-N 447.358 6.722 30 10 IKEE C[C@H]1C[C@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN1Cc1ccccc1 2339578141 CNVSKGMBAQHOBJ-NZQKXSOJSA-N 433.405 5.191 30 10 IKEE CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339606312 PEOIDQOZOYWGHY-DEWHONNTSA-N 446.397 5.044 30 10 IKEE Cc1cc(Br)c(OCc2cc(F)cc(C#N)c2)cc1NC(=O)OC(C)(C)C 2370459085 AREBLPLNNITZMG-UHFFFAOYSA-N 435.293 5.694 30 10 IKEE CN(C)c1ccc(-c2nc3n(n2)[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 9602021 IOCCMMVEIYNIQY-QFIPXVFZSA-N 447.970 5.323 30 10 IKEE Cc1cc(Br)cc(C)c1/N=C1/C(=O)N(CN2CCC(C)CC2)c2ccccc21 16269353 XVMMKGVONVJACC-YYDJUVGSSA-N 440.385 5.223 30 10 IKEE COc1cc(/C=C/c2nc(C#N)c(NCc3ccccc3Cl)o2)cc(OC)c1OC 16768457 QUARWADSSIQRPM-CMDGGOBGSA-N 425.872 5.008 30 10 IKEE CCCOc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccc(C)cc1)C2 21256536 SOPDDOPYQDWSTE-LGGPFLRQSA-N 438.571 6.763 30 10 IKEE O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(NC(=O)c2ccco2)cc1 28357360 ZVAPKOOOZKQPFZ-ACCUITESSA-N 428.400 5.596 30 10 IKEE Cc1ccccc1N/C(=N\C(=O)c1ccc(F)c(Cl)c1)NCCc1c[nH]c2ccccc12 32943207 BAEMNWRXTRYYPV-UHFFFAOYSA-N 448.929 5.709 30 10 IKEE CN1C/C(=C/c2ccc(Br)cc2)C(=O)/C(=C/c2ccc(Br)cc2)C1 33305342 CSEWJOXSVCTUKZ-VRNBXGKJSA-N 447.170 5.193 30 10 IKEE Cc1nn(-c2ccccc2)c(Cl)c1/C=N/N=C(\C(=O)c1ccccc1)c1ccccc1 33429444 CRNWIYMYGTZZOE-KEXPZAGPSA-N 426.907 5.540 30 10 IKEE C=C(Br)Cn1c(CCCCCNC(=O)c2cccs2)nc2ccccc21 40223579 KPHRDSCMYHLDIS-UHFFFAOYSA-N 432.387 5.149 30 10 IKEE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/Nc2ccc(F)cc2)CCC3)cc1Cl 40823835 LUPTVGXPRGHQIW-TURZUDJPSA-N 425.891 6.094 30 10 IKEE C[C@@H](Sc1n[nH]c(N/N=C/c2cccc(Cl)c2Cl)n1)c1nnc(C2CCC2)o1 59879243 JOGGXKZICWRIPO-GCYXGZDWSA-N 438.344 5.061 30 10 IKEE CCCCCCCCCCOc1ccc2ccccc2c1CN1CCN(CCC#N)CC1 100156527 HXKRUOVKBOAUDD-UHFFFAOYSA-N 435.656 6.391 30 10 IKEE CCCCCCCCCCCCCCCCCCC[C@H](O)CCCCCC[C@@H](O)CC 100308034 AZCAOVQLYUGFIV-VMPREFPWSA-N 440.797 9.501 30 10 IKEE CCC[C@H]1S/C(=N/N=C/c2ccc(Br)cc2)N(Cc2ccccc2)C1=O 102659159 OOFYOLZPPLKISU-CRFHEJAGSA-N 430.371 5.083 30 10 IKEE C[C@@H]1CC/C(=C/c2c(Cl)cccc2Cl)C(=O)/C1=C/c1c(Cl)cccc1Cl 108489612 OMNFGJKJTUMWAP-TYTLWMJMSA-N 426.170 7.766 30 10 IKEE Cc1c(NC(=O)c2cccc(/N=C3\C=C(O)CC(C)(C)C3)c2)c(=O)n(-c2ccccc2)n1C 111079910 DWLLHJVYPWEKEE-NHFJDJAPSA-N 444.535 5.071 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\Nc2cnn(C)c(=O)c2Cl)cc1OCC 169894541 UIZGRYSHBZPHQU-XYGWBWBKSA-N 448.995 5.408 30 10 IKEE CCOc1cc(/C=N\S(=O)(=O)c2ccc(C)cc2)ccc1OCc1cc(C)ccc1C 169908767 WCENLUBRVAGSEH-QQXSKIMKSA-N 437.561 5.397 30 10 IKEE CCOc1cc(/C=N\n2c(S)nnc2-c2ccccc2)ccc1OCc1ccc(C)cc1 169911887 JOKYYDDRNBIPAV-QQXSKIMKSA-N 444.560 5.402 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccc(O)cc1)c1cccc(Cl)c1 169961312 RZVMNXCBNYPXOM-HXUWFJFHSA-N 440.282 5.482 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc([N+](=O)[O-])cc2)=C(N(CC)c2ccccc2)C1=O 169979174 QPCWOAVEFJHZLD-UHFFFAOYSA-N 449.551 5.562 30 10 IKEE CCCCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccn2)cc1 169993600 STOWOIMFRDSAPJ-QHCPKHFHSA-N 430.479 5.346 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2ccncc2)cc1C 170019612 MSBLMRSRFTZRBG-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccco2)c1 170089680 VSIYBGHCELZZBU-QHCPKHFHSA-N 431.488 5.468 30 10 IKEE CC(C)Oc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccco2)cc1 170095015 XIXXJCPFAZAPMK-OAQYLSRUSA-N 437.879 5.503 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1cccc(OC)c1 170121123 IZRVZSKNSLRSKV-QHCPKHFHSA-N 437.536 5.253 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(O)cc2)cc1 170135659 YYXHBCPYZJCJBS-HSZRJFAPSA-N 435.520 5.090 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1cccc(C)c1 170140383 KSDAQDHDIGODDM-QFIPXVFZSA-N 435.426 5.065 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccc(C)c2)c1 170141574 PPOAYOQYYUSNTF-DEOSSOPVSA-N 427.500 5.567 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1cccs1 170155488 HBYZTDUMBKJNCD-QFIPXVFZSA-N 449.547 6.276 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2cccs2)c1 170156635 OYDMBCGVZMNDJX-JOCHJYFZSA-N 433.529 5.627 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@@H]2c2ccccn2)c1 170170801 KMHHNGQBBILPBY-XMMPIXPASA-N 442.515 5.216 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@@H]1c1ccc(Cl)cc1 170236312 AZLNMQXBVUHFHU-IBGZPJMESA-N 434.319 5.380 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1ccc(F)cc1 170243732 JUUYYHQHOIMVEQ-JOCHJYFZSA-N 425.500 5.381 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1ccc(C(C)C)cc1 170245317 BZQMIKARMIINBA-RUZDIDTESA-N 447.619 6.794 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2F)c1 170249051 OYFWFGJMWRJSPL-HSZRJFAPSA-N 431.463 5.396 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2c2ccccc2)cc1 170265430 UEVZGZLDXRLEKU-QHCPKHFHSA-N 447.918 5.694 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2C2CCCC2)cc1 170268569 LNAVWHZHNHUHCF-QFIPXVFZSA-N 439.939 5.432 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1CCOC(C)C 170270607 XVXACBVMVWZGLZ-DEOSSOPVSA-N 429.516 5.152 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccco1)c1ccc2c(c1)CCCO2 170287061 KXWCUJWQGORHQO-OAQYLSRUSA-N 435.863 5.041 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2cccc(Cl)c2)o1 170303480 FPGBQLBATZJJJJ-QHCPKHFHSA-N 443.886 6.178 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2sccc2C)cc1 170317243 XPCSGZMNEZGMBH-NRFANRHFSA-N 448.544 5.019 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(C(C)(C)C)cc2)cc1 170326308 RFOOQBIDLPCVTB-JOCHJYFZSA-N 447.556 5.837 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(C(C)(C)C)cc2)c1 170345572 WXFHUPFCQBSAOU-JOCHJYFZSA-N 447.556 5.837 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(Cl)cc2)c1 170374450 QDBAKODUBXROHQ-HXUWFJFHSA-N 439.920 5.583 30 10 IKEE Cc1ccc2c(c1)C(=O)/C(=C\c1cn(-c3ccccc3)nc1-c1ccc3c(c1)C[C@@H](C)O3)O2 213993774 GWFZLJVDHZOYSN-GTPWMTBTSA-N 434.495 5.787 30 10 IKEE O=C1C(=NNc2ccc(Cl)c(C(F)(F)F)c2)C(c2ccccc2)=NN1c1ccccc1 252617716 KYVLZMDRHXGDNK-UHFFFAOYSA-N 442.828 5.578 30 10 IKEE COc1ccc(OC)c(/C=C2/SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)c1 252642741 ZPCSONYMHSEOKG-GUGSDYAWSA-N 444.556 6.129 30 10 IKEE C(=NNc1nnc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1)c1ccccc1 254521885 AJNCIWHBAOHXFQ-UHFFFAOYSA-N 426.523 6.924 30 10 IKEE C(=NNc1nc(-c2ccccc2)cs1)c1c(OCc2ccccc2)ccc2ccccc12 254700222 JSIXWYSIJCQBSD-UHFFFAOYSA-N 435.552 6.988 30 10 IKEE Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)ON=Cc1c(F)cccc1Cl 254759541 UOXQCOOMSBDYAD-UHFFFAOYSA-N 442.661 6.332 30 10 IKEE CCCC(C#N)(CCC)C(=O)Nc1cc(Br)ccc1I 380230468 LJNNEGDARFZISQ-UHFFFAOYSA-N 449.130 5.102 30 10 IKEE COc1ccc2c(c1)c([C@H]1C(c3ccc(C)cc3)=C(O)C(=O)N1c1ccc(C#N)cc1)cn2C 526492289 WLCKIDIAOAGNQP-SANMLTNESA-N 449.510 5.424 30 10 IKEE CCN(CC)c1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526517529 UKHCTWMTBHIQKB-VWLOTQADSA-N 441.506 5.601 30 10 IKEE CCOc1cccc([C@@H]2C(c3cccc4ccccc34)=C(O)C(=O)N2c2cccc(C#N)c2)c1 526521414 RSDYXYHEDSHFOT-HHHXNRCGSA-N 446.506 6.167 30 10 IKEE Cc1cc(Cl)ccc1NC1=C(Sc2ccccc2)C(=O)N(c2ccc(C#N)cc2)C1=O 526636486 RJRXIDGMMDZXHS-UHFFFAOYSA-N 445.931 5.509 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(F)ccc2F)cc1 526707555 HSWYHXARCCOBDL-QHCPKHFHSA-N 447.481 6.045 30 10 IKEE CC(C)COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2F)cc1 526744806 YOVQEUXQJGHBAG-XMMPIXPASA-N 445.490 5.643 30 10 IKEE CCCCCCCCCC[C@H](O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 702446761 YUSWSOWZFCWVJQ-RPWUZVMVSA-N 434.665 5.903 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(C)ccc(Br)c1F 721200512 QUTIBHNYVLUUMG-YJBOKZPZSA-N 429.374 5.407 30 10 IKEE Cc1c(Cl)cccc1N=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1 1083917481 KBHFXRIFBFJHDK-UHFFFAOYSA-N 441.177 7.559 30 10 IKEE Cc1ccccc1C=Nc1cc2c3c(c1)[C@@H](c1ccccc1)CCN3CC[C@H]2c1ccccc1 1083923944 ADUWLHJXDRIDLW-ISILISOKSA-N 442.606 7.623 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(OCc3ccc(C)cc3)cc2)SC1=Nc1nccs1 1772736124 RUFQOFQZMICEOF-LLLXPECQSA-N 447.585 5.821 30 10 IKEE O=C1NC(=NN=Cc2ccc(-c3ccc(Cl)cc3)o2)S[C@@H]1Cc1ccccc1Cl 1772742355 NGZSUQOUZITYGC-LJQANCHMSA-N 444.343 5.418 30 10 IKEE CCCCCCOc1ccc(C=NNc2nnc3c(n2)[nH]c2ccc(C)cc23)cc1OC 1772765007 ODWBGYRLLXAFAQ-UHFFFAOYSA-N 432.528 5.228 30 10 IKEE C[C@H]1CCCC[C@H]1NC(=O)Oc1cccc2c(NC(=O)c3cccc(C#N)c3)cccc12 1858944925 WKIBWHDYSPKOPA-HTAPYJJXSA-N 427.504 5.631 30 10 IKEE CCCCCCCCCNC(=O)[C@@H](C)Oc1cc2oc(=O)cc(CCC)c2cc1Cl 1860267280 MULGDUHJPGFDIO-QGZVFWFLSA-N 435.992 6.033 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 1861565341 NMQXGMYNQVFTQH-BFKDBJQSSA-N 442.688 6.539 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1cccc(F)c1 1862413749 KEBIEALWIZJYJQ-QFIPXVFZSA-N 445.481 6.043 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc3ccccc23)c1 1862495377 XUFQSGGNNCJMMR-SANMLTNESA-N 439.555 6.368 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc(F)cc2)cc1 1862516992 CENJOTZUNQIIRH-JOCHJYFZSA-N 425.500 5.239 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2cccc(F)c2)cc1 1862530726 WRJGJXOKQNHBSP-DEOSSOPVSA-N 447.481 5.348 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccccc1Cl)c1ccc2c(c1)CCCC2 1862546149 QUUGARKOLRMIKM-QHCPKHFHSA-N 435.951 5.740 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cccc2ccccc12 1862549560 RJADYHRINGAVGP-RUZDIDTESA-N 425.528 5.705 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cccc2ccccc12)c1ccc2c(c1)OCO2 1862631113 KEBQFSKRAPATLL-XMMPIXPASA-N 441.483 5.089 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2c(F)cccc2Cl)cc1F 1862644971 XNEFFICXQPBNBE-HXUWFJFHSA-N 449.881 5.251 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccccc2F)cc1 1862661712 FYFRYBNHKQUQRH-DEOSSOPVSA-N 429.491 5.728 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2ccccn2)cc1 1862664099 WAUHIROZTQSYAZ-VWLOTQADSA-N 440.543 5.546 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1Cl 1862675481 LVLZXCZSZSEYHU-YFZFPPMRSA-N 427.903 5.636 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccccc1 1862722673 WQTAGQMSUPHYHX-VWLOTQADSA-N 441.527 5.359 30 10 IKEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccc(C)cc2)cc1 1862731471 UQDMLBCQKKYVET-VWLOTQADSA-N 447.575 6.085 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc4ccccc4c3)C2=O)cc1C 1862875546 UBYHEBYGWSMAAR-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE Cc1cc(C2=C(Nc3cc(Cl)ccc3C)C(=O)N(c3ccc(C#N)cc3)C2=O)ccc1F 1863093047 HZFTZGZVJFXWNQ-UHFFFAOYSA-N 445.881 5.364 30 10 IKEE CC(C)(C)c1ccc(NC2=C(c3cccs3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1863120128 XTYQEDPWBGBOPV-UHFFFAOYSA-N 427.529 5.314 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccccc2C)=C(c2ccc(OC)cc2)C1=O 1863329975 QVMHEFQAIWRBSX-UHFFFAOYSA-N 448.607 6.336 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccncc2)=C(c2ccc(F)cc2)C1=O 1863507420 PBQRZAFWWKMLPN-UHFFFAOYSA-N 437.559 5.231 30 10 IKEE CCCCCCCCNC1=C(c2ccc(C)cc2)C(=O)N(CCc2ccc(OC)cc2)C1=O 1863612575 GORUQKSLKLOCIO-UHFFFAOYSA-N 448.607 5.276 30 10 IKEE N#C[C@@H](c1cccs1)N1CCC(C(=O)Nc2cccc(OCc3ccccc3)c2)CC1 1868171653 OXDGIYKEVRPECZ-QHCPKHFHSA-N 431.561 5.242 30 10 IKEE CC(C)c1nc(Nc2ccc(C#N)cc2)cc(N2CCO[C@H](c3cccc(Cl)c3)C2)n1 1868242779 ROBRRFFHSKFULV-NRFANRHFSA-N 433.943 5.447 30 10 IKEE COc1ccc(Cl)cc1C(=O)Nc1c(C#N)nnn1-c1ccc(-c2ccccc2C)cc1 1870143428 LNIBWGAKYWHABI-UHFFFAOYSA-N 443.894 5.029 30 10 IKEE C=CCOc1cn(CCCCCC)c(CNc2ccc(N3CCC(C)CC3)cc2)cc1=O 1870813732 YXLDFIHGJSJZNJ-UHFFFAOYSA-N 437.628 5.842 30 10 IKEE CCCCCCCCCCn1cc(OCCC)c(=O)cc1CNc1ccccc1CC 1871106173 MCRSWRATQOKCIO-UHFFFAOYSA-N 426.645 6.952 30 10 IKEE CCCCC[C@H](CC)N1COc2cc(C)c3c(c2C1)O/C(=C\c1cccc(OC)c1)C3=O 1871347543 GMUWYRXCCRHUOJ-ORQKMDSUSA-N 435.564 6.131 30 10 IKEE Cc1ccc(C)c(CN2COc3c(cc4c(c3C)O/C(=C\c3cccc(Cl)c3)C4=O)C2)c1 1871355788 VOEKDHHFTHOACO-MYKKPKGFSA-N 445.946 6.234 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(cc3c(c2C)OCN(CCCCc2ccccc2)C3)C1=O 1871359962 MLMWUJULKYZUDQ-HAHDFKILSA-N 445.584 6.156 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O 1871369570 RMIVHEOEZAZOMI-IWIPYMOSSA-N 448.902 6.029 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OC(=O)CCCOc3ccccc3)cc(C)c2C1=O 1871371261 NAFBHRIHVGWNOA-QNGOZBTKSA-N 434.513 5.746 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3cc(OC(=O)/C(Cl)=C/c4ccccc4)ccc3C2=O)cc1 1871377636 VMEUBIQSXXKKNI-REWGPEIWSA-N 444.914 6.612 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(CC)cc2)C3=O)c1 1871389057 HVYAWFPYZQIJKG-OYKKKHCWSA-N 442.467 5.400 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCCCCOc4ccccc4)ccc3C2=O)cc1 1871403234 HADTZQIHRUZBFO-ITYLOYPMSA-N 430.500 5.940 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccc(C)cc4)c3C)C2=O)cc1 1871404989 AUVNNUYKTAMFTP-OQLNFPPLSA-N 427.500 5.634 30 10 IKEE Cc1ccc(OCCCOc2ccc3c(c2)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)cc1 1871405306 ITGWUCYZWQFBIG-IMRQLAEWSA-N 442.555 6.757 30 10 IKEE COC(=O)c1ccc(/C=C2\Oc3cc(OCc4cccc5ccccc45)ccc3C2=O)cc1 1871435113 ZZGHYZLWUZEOME-YSMPRRRNSA-N 436.463 5.822 30 10 IKEE CCOC(=O)c1ccc(COc2cc(C)c3c(c2)O/C(=C\c2ccc(CC)cc2)C3=O)o1 1871439359 VEVHECGZXYYDPI-QRVIBDJDSA-N 432.472 5.522 30 10 IKEE C=CCN([C@H](C)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1871816217 FSCWRMFGBXCRGB-OAQYLSRUSA-N 442.625 5.158 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(C)c(C)c1)C(C)C)S(=O)(=O)c1c(C)cc(C)cc1C 1871885755 DBCJDIGRJANJFS-QHCPKHFHSA-N 442.625 5.069 30 10 IKEE C=C(C)CN([C@@H](C)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872448773 UFYKAGSZNCYJEE-IBGZPJMESA-N 449.016 5.168 30 10 IKEE N#C[C@H](C(=O)C12CC3CC(CC(C3)C1)C2)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872759601 UCWRZUOFGZLSST-RTUAHOQCSA-N 438.596 6.870 30 10 IKEE COC(=O)c1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 1872760443 ONLPRQJMEKCINO-MKGTUJQCSA-N 442.540 5.365 30 10 IKEE N#C[C@@H](C(=O)/C=C/c1cccc(Cl)c1)c1nc(-c2cccc(Br)c2)cs1 1872763019 CCFFYLKPYPIOOH-OZSKJFCKSA-N 443.753 6.116 30 10 IKEE N#C[C@@H](C(=O)c1ccccc1Br)c1nc(-c2cccc3ccccc23)cs1 1872774720 AEAIKCAABAGBCQ-SFHVURJKSA-N 433.330 6.216 30 10 IKEE CCOc1ccc(CCC(=O)[C@H](C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1OC 1872777806 WRBAZAFVZCJIPF-SFHVURJKSA-N 445.544 5.508 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@@H](C#N)C(=O)c3cccc(NC(C)=O)c3)n2)c1 1872781497 VLXXBKDHMZWXQK-FQEVSTJZSA-N 449.532 5.056 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(N(C)C)cc3)n2)c2ccccc12 1872788153 FIGIZVFARXBVEE-OAQYLSRUSA-N 427.529 5.528 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2C(=O)OCC)=C(c2ccccc2)C1=O 1873413773 ONUKMJMPGUWZGZ-UHFFFAOYSA-N 448.563 5.416 30 10 IKEE C=CCn1c(C(=O)Nc2ccccc2CC)cc2c(NCc3ccccc3C)ncnc21 1873618926 ONFQTDNHBUXRFF-UHFFFAOYSA-N 425.536 5.353 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(F)c(Cl)c2)cc2c(N3CCCCCC3)ncnc21 1873655595 LTCHODSKFNZUCJ-UHFFFAOYSA-N 427.911 5.043 30 10 IKEE COc1ccc(OCc2nnc(SC)n2/N=C/c2ccc(F)cc2F)c(C(C)(C)C)c1 1874193918 NYWMCDBLUPYJKK-BRJLIKDPSA-N 446.523 5.046 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc(F)cc1F 1874283294 ZVMJJMOBOSCLLV-BRJLIKDPSA-N 432.927 5.545 30 10 IKEE Cc1cccc(CSc2nnc(COc3c(C)cccc3C)n2/N=C/c2cccn2C)c1 1874299022 FKEAAJAEVCNGCO-CVKSISIWSA-N 445.592 5.295 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(CCc3ccc(C)c(C)c3)nnc2SC)cc1 1874329476 QJCWEEJCMXPZDD-NLRVBDNBSA-N 436.625 5.853 30 10 IKEE C=CCSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1ccc(Cl)cc1Cl 1874331660 XRHZUBPPEODZKM-AFUMVMLFSA-N 445.419 6.147 30 10 IKEE C=CCSc1nnc(CCOc2ccccc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874346941 NPAWGBZSQNZPJI-MFKUBSTISA-N 432.471 5.079 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(COCc3ccccc3)nnc2SCC)cc1 1874353637 TWLOIJYFTPFOBB-KOEQRZSOSA-N 438.597 5.558 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(C(=O)O)cc1 1874480131 JQFSSUQYTJFECF-YDZHTSKRSA-N 428.945 5.147 30 10 IKEE Cc1cccc(CSc2nnc(C(C)(C)C)n2/N=C/c2cccc(Br)c2)c1 1874483675 HMRQCMKMKBKGHV-YDZHTSKRSA-N 443.414 5.821 30 10 IKEE CCSc1nnc(C2CCC2)n1/N=C/c1ccc(OCCc2ccccc2)c(OC)c1 1874493129 WWUFQFLMTZSYIE-KOEQRZSOSA-N 436.581 5.170 30 10 IKEE CN(C)c1ccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CC2)cc1 1874522755 JJJZMGLAAYIIDO-WYMPLXKRSA-N 446.407 5.703 30 10 IKEE COc1cc(/C=N/n2cnnc2SCc2cccc(F)c2)ccc1OCc1ccccc1 1874538160 QDPUVAFLWZKNQT-MZJWZYIUSA-N 448.523 5.179 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1ccc(F)cc1)c1ccc(Cl)cc1Cl 1874573551 UBROAPSLMZSVRZ-YCRREMRBSA-N 435.709 7.261 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2cccc(C)c2)cc1 1874577799 GOMZTNSATIZLLU-DTQAZKPQSA-N 445.515 5.316 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccccc1OCC(=O)Nc1ccc(F)cc1 1874585748 CXOZCJXWOOSNOO-MDWZMJQESA-N 433.479 5.365 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCc3c(Cl)cccc3Cl)c2)cc1Cl 1874600031 PDOQVBLYXRPYFZ-CSKARUKUSA-N 447.745 7.131 30 10 IKEE CCCOc1c(Cl)cc(/C=C/C(=O)c2cc(OC)c(Cl)cc2OC)cc1OCC 1874630935 BKSGYOMGKZHKRE-BQYQJAHWSA-N 439.335 6.094 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1 1874634519 GGKHKODEMGKQQU-SOFGYWHQSA-N 445.317 6.925 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3cccc(/C=C/C(=O)c4ccccc4Cl)c3)c(C)c2c1 1874697207 WQBLMQWSCPMQMT-ACCUITESSA-N 429.903 6.553 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccccc3Br)c2)c(C)c1 1874702085 HJKUWVHFKMIVSE-ACCUITESSA-N 435.317 6.181 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2cccc(/C=C/C(=O)c3cc(C)ccc3C)c2)cc1 1874703162 BQYLXDKCJYVLPD-DTQAZKPQSA-N 428.528 6.273 30 10 IKEE Cc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C 1874705991 KGXVLVLCGUKWJJ-MHWRWJLKSA-N 442.555 6.481 30 10 IKEE Cc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3c(C)cc(C)cc3C)c2)c(C)c1 1874716331 NDHKSOFNZBRIKL-ZHACJKMWSA-N 428.528 6.109 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2c(F)cccc2Cl)c1)c1cc(Cl)ccc1Cl 1874718937 RRNYERQIJPODDZ-JXMROGBWSA-N 449.692 6.901 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cccs3)c(OCC)c2)cc1 1875106114 CFQHGGNUOISRDB-RVDMUPIBSA-N 448.584 6.534 30 10 IKEE C[C@H](C(=O)Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1Cl)c1ccccc1 1875113467 IZICUFMXFGSDEK-BYIUCRAPSA-N 425.311 6.599 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OC(=O)CC1CCCCC1 1875127100 OGEZQZJOQDSVNI-BUHFOSPRSA-N 426.940 6.511 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)ccc1F 1875141015 JBGQBWPFTDJMPL-NYYWCZLTSA-N 439.826 5.811 30 10 IKEE Cc1ccsc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1Br 1875158333 QDAAMKQJDDOOND-KRXBUXKQSA-N 445.309 6.073 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3F)c([N+](=O)[O-])c2)c(C)c1C 1875166672 DCMIOPZGIBTEJC-DHZHZOJOSA-N 449.434 5.475 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OC(=O)c3cccc(F)c3)c(Cl)c2)c1C 1875168785 UHXPKJQRBOCEMK-CSKARUKUSA-N 436.910 6.828 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)c1cccc(F)c1 1875172007 YVUMVIIBZSAZIG-CSKARUKUSA-N 434.463 5.575 30 10 IKEE C[C@@H](C(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1)c1ccccc1 1875191675 YFYRZWPFAXUWLX-SCZPIIQISA-N 425.311 6.599 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C12CC2 1880382284 HPAGIERWDWOLGI-RUZDIDTESA-N 441.572 5.250 30 10 IKEE SC[C@H](CSc1cc(I)ccc1Br)C1CC1 1900790865 AHFZBDRXOOXGIN-SECBINFHSA-N 429.186 5.102 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](O)c1ccc(C)c(Br)c1C 1922070251 XTMCBAXQXQKUQB-PKTZIBPZSA-N 432.402 5.241 30 10 IKEE CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 1941062070 RKUJPZFXKWSCGI-FDDCHVKYSA-N 435.540 5.399 30 10 IKEE CC(C)(C)OC(=O)NCC[C@@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)C1 1950510464 COTDQIYBERIRTG-MHECFPHRSA-N 435.609 5.533 30 10 IKEE CCCCCCCC1(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)CC1 1952074548 ZTOIQFHFQQYPMG-VWLOTQADSA-N 449.591 6.509 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(Br)ccc(Cl)c1F 2037657416 RTZTXZZGKATCEE-BBRMVZONSA-N 435.765 5.362 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)cc1 2040979399 ZTLVAPWUTWLMDV-HBNMSFMJSA-N 441.572 5.276 30 10 IKEE C#CC[C@H](CNc1c(Br)cc(Br)cc1Br)C1CC1 2076092848 RZGKFKOWYUNFBC-SNVBAGLBSA-N 435.985 5.436 30 10 IKEE Cc1ccc([C@H](C2CC2)n2nc(C(C)(C)C)c(C#N)c2I)cc1F 2078978182 RYQHIYLNXNYQCJ-INIZCTEOSA-N 437.300 5.104 30 10 IKEE Cc1cc(C)c([C@@H](n2nc(C(C)(C)C)c(C=NO)c2Br)C2(C)CC2)c(C)c1 2079845635 TZVRQNRYZOVXAT-LJQANCHMSA-N 432.406 6.066 30 10 IKEE C[C@H](c1ccc(C2CCC2)cc1)n1nc(C2CCC2)c(C#N)c1I 2079950795 KAAQYLOHARHETE-CYBMUJFWSA-N 431.321 5.504 30 10 IKEE CC1(c2nn([C@@H](c3ccc(C4CCC4)cc3)C(C)(C)C)c(Br)c2C#N)CC1 2079956278 JARKKMNFGLQXIE-FQEVSTJZSA-N 426.402 6.472 30 10 IKEE CCCOc1ccc([C@H](n2nc(C(F)F)c(C=NO)c2Br)C(C)(C)C)cc1 2080089332 VPRRSZSMHZARFR-INIZCTEOSA-N 444.320 5.816 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H](n2nc(C3CCCCC3)c(C#N)c2Br)C1 2080311434 MKRZYGVKCGMMNM-OAHLLOKOSA-N 437.382 5.137 30 10 IKEE C[C@@H](C[C@@H](O)[C@H]1OC1(C)C)C1=C2C[C@@H](O)[C@@H]3[C@]4(C)CCC(=O)C[C@H]4CC[C@@]3(C)[C@]2(C)CC1 2085138241 XOWUWSRAQZUPJP-LLQFHACJSA-N 444.656 5.204 30 10 IKEE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@H](C#N)c1ccc(Br)c(Cl)c1F 2098121236 PCHXWCDEGJKIAL-SMDDNHRTSA-N 447.732 5.222 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)c(Cl)c1 2103300369 OTAVNNRYAVDGQU-QZTJIDSGSA-N 443.813 5.450 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CC[C@@H](P(C)(C)=O)C1 2104501440 UMNNQRNCMBYQAQ-VQIMIIECSA-N 441.306 5.628 30 10 IKEE C[C@@H]1CCCN(c2cc(Br)cc(C#N)c2)[C@@H]1CCCNC(=O)OC(C)(C)C 2174807936 IHZGLONMUKDPGK-DNVCBOLYSA-N 436.394 5.231 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(Br)cc2C#N)C[C@H]1C1CCC1 2194114629 ZSUNLRMPNSHIAM-MJGOQNOKSA-N 434.378 5.301 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)cc(OC)c1 2201000062 PYDCHJFXJOHORI-RBUKOAKNSA-N 441.410 5.358 30 10 IKEE C=CCN(CC[C@H](NCCC)c1sc(C)c(C)c1Br)C(=O)OC(C)(C)C 2229303972 JMSINWSKGCDXFW-INIZCTEOSA-N 445.467 5.981 30 10 IKEE CCCC[C@H](NC(=O)OC(C)(C)C)[C@@H](C#Cc1ccccc1Br)NCCC 2235730238 OALVNNXBEOFJCX-UXHICEINSA-N 437.422 5.252 30 10 IKEE CN[C@@H](C#Cc1ccccc1Br)c1cccc(NC(=O)OC(C)(C)C)c1F 2235732772 ZCBORCITRCPSSH-KRWDZBQOSA-N 433.321 5.247 30 10 IKEE CCCC#C[C@H](NCCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237416033 KQYXOYIBXZSJEA-VQTJNVASSA-N 437.422 5.057 30 10 IKEE CCN[C@H](CC#CC1CCCC1)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2251480326 BMJUJZBWRFSPRN-AGILITTLSA-N 428.617 5.047 30 10 IKEE CCN[C@H](CC#CC1CCCC1)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2251480329 BMJUJZBWRFSPRN-TUACAJSNSA-N 428.617 5.047 30 10 IKEE CCCN[C@@]1(C#N)CCCC[C@@H]1CCN(CCN(C)Cc1ccccc1)Cc1ccccc1 2273176693 ASKORTHTOMWIBG-FQLXRVMXSA-N 446.683 5.463 30 10 IKEE C=CCCC1([C@H](NC)c2c(C)ccc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2281037801 MWNRZUUBKYEEPA-GOSISDBHSA-N 441.385 5.360 30 10 IKEE CC1(C)OB(c2cnc(SC[C@H]3CCCCC3(F)F)c(Br)c2)OC1(C)C 2283108652 XOXRLAQVVCBGKB-GFCCVEGCSA-N 448.182 5.061 30 10 IKEE CCCc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)cc1 2283523743 SBHLKIDTADEMMU-HXUWFJFHSA-N 429.358 6.408 30 10 IKEE Cc1c(Cl)cccc1NC=C1C(=O)c2sccc2N(Cc2ccccc2)S1(=O)=O 2297378286 LSPXRAHSWSJAFG-UHFFFAOYSA-N 444.965 5.196 30 10 IKEE CCCCCCCCC=CCCCCCCCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 2297748801 XIPFMGYXSZQUGV-QHCPKHFHSA-N 431.661 7.183 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)OC(C)(C)C 2298230025 HPEACXAWAYFCPA-CJRSTVEYSA-N 428.617 5.306 30 10 IKEE Cc1cc(C=C2SC(=Nc3cccc(Cl)c3)NC2=O)c(C)n1-c1ccc(F)cc1 2313560531 WQFBGJYVTLUCBF-UHFFFAOYSA-N 425.916 5.778 30 10 IKEE Cc1cccc(N=C2SC(=CC=Cc3ccccc3[N+](=O)[O-])C(=O)N2c2ccccc2)n1 2314540522 RYEXVQYMQXWBNB-UHFFFAOYSA-N 442.500 5.663 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(OCC(C)C)cc1 2318574244 IIBVOXABTOJCBY-UHFFFAOYSA-N 440.588 5.969 30 10 IKEE O=[N+]([O-])c1ccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CC2)cc1 2320892132 MZWXQNRRQWHFQH-UHFFFAOYSA-N 448.335 5.545 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCc4c(Cl)cccc4Cl)cc(C)c3C2=O)c1 2321774114 DFBYKMHYEYVFQS-UHFFFAOYSA-N 425.311 6.805 30 10 IKEE CCCCC[C@@H](CC)N1COc2ccc3c(c2C1)OC(=Cc1ccc(Cl)cc1)C3=O 2322071731 GIVAYRVXQPGOFG-LJQANCHMSA-N 425.956 6.467 30 10 IKEE CCCOC(=O)COc1c(C=CC(=O)c2ccc(OCCC)cc2)cc(Cl)cc1OC 2322607412 XDEPNPVOYAMXLB-UHFFFAOYSA-N 446.927 5.366 30 10 IKEE Cc1c(OC(=O)c2cccs2)ccc2c1OC(=Cc1ccc(Cl)cc1Cl)C2=O 2322667633 OPVNMNQKTUITEE-UHFFFAOYSA-N 431.296 6.199 30 10 IKEE Cc1ccc(NC(=O)COc2ccccc2C=CC(=O)c2ccc(C(C)(C)C)cc2)c(C)c1 2322681110 UBUCDFBSRYVZPD-UHFFFAOYSA-N 441.571 6.515 30 10 IKEE COC(=O)c1ccc(COc2ccccc2C=CC(=O)c2cc(C(C)(C)C)ccc2OC)o1 2322766994 OCYAGMNDKMRVAS-UHFFFAOYSA-N 448.515 5.847 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OC(=O)c4ccc(F)cc4)cc(C)c3C2=O)cc1 2322781854 HHMOBWBJMHIKLC-UHFFFAOYSA-N 445.490 5.816 30 10 IKEE Cc1cc(OC(=O)c2cccc(Cl)c2)cc2c1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)O2 2322914357 MUPCLSBTPAYWCX-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE Cc1cc(OC(=O)COc2ccccc2)cc2c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O2 2322948850 FVFVVCKLUNDNGD-UHFFFAOYSA-N 442.511 5.893 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2ccccc2)cc1C 2322995549 IFCDBKWLWPOSKJ-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCOc1ccc(C=CC(=O)C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1OCC 2323218768 KMBBOHDKXYJOAV-UHFFFAOYSA-N 443.543 5.295 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc3C2=O)cc1 2323318317 DZGQDDSUVUXSOC-UHFFFAOYSA-N 432.859 5.584 30 10 IKEE Cc1cc(OC(=O)c2ccc(C(F)(F)F)cc2)cc2c1C(=O)C(=Cc1ccccn1)O2 2323352495 FZZBVVZWYDYVBM-UHFFFAOYSA-N 425.362 5.244 30 10 IKEE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1 2323630898 BPPJDZOGJZSJAC-UHFFFAOYSA-N 448.902 6.210 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 2323674880 KHNKPZVTJRPOIN-UHFFFAOYSA-N 430.460 5.071 30 10 IKEE Cc1cccc(COc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2Br)c1 2323790663 BIZXYTSDYGIXGG-UHFFFAOYSA-N 441.752 6.886 30 10 IKEE COc1ccc(C=NNc2nc(-c3ccc(C)cc3C)cs2)c(Br)c1O 2323864629 AFPKNBNCKFGGPG-UHFFFAOYSA-N 432.343 5.350 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc(Cl)c2)c([N+](=O)[O-])c1)c1cccc2ccccc12 2324139870 DRLFOQDGSDSWAW-UHFFFAOYSA-N 443.886 6.877 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1 2324366150 TXMRUTIAQUIPRY-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE Cc1c(Cl)cccc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1ccco1)C2=O 2324431088 DEKDZEVVOSPEAV-OAHLLOKOSA-N 437.879 5.572 30 10 IKEE CCc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4OC)ccc3C2=O)cc1 2324472513 RRFFQIKOOYULJO-KRWDZBQOSA-N 443.499 5.280 30 10 IKEE COc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4cccc(C)c4C)ccc3C2=O)cc1 2324494770 GSQOQXSLYZKMSL-GOSISDBHSA-N 443.499 5.334 30 10 IKEE Cc1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)c1C 2324498629 UQAFLJHSTNCMQQ-QGZVFWFLSA-N 447.918 5.979 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCCCOc4ccc(CC)cc4)ccc3C2=O)cc1 2324653851 PLNRDFNXJLCDST-UHFFFAOYSA-N 444.527 6.112 30 10 IKEE N#C[C@H](C(=O)C(=Cc1ccccc1)c1ccccc1)c1nc(-c2ccc(F)c(F)c2)cs1 2324688376 ZQHNHUSZVMZCSJ-OAQYLSRUSA-N 442.490 6.505 30 10 IKEE CCOc1ccccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1cccc(F)c1)C2=O 2324896930 FBDULHJJBZKNOI-UHFFFAOYSA-N 447.462 5.167 30 10 IKEE Cc1ccc(CCOc2cc(C)c3c(c2)OC(=Cc2ccc(Cl)c(Cl)c2)C3=O)cc1 2325372726 RXHXNHPHAXXFNI-UHFFFAOYSA-N 439.338 6.848 30 10 IKEE COc1ccc(CCC(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)CCCC4)c2)cc1 2325702097 SAZBXOKUIKUKSZ-UHFFFAOYSA-N 440.539 6.008 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccc(N(C)C)cc2)C3=O)cc1 2325715733 IZHMTELLEFHJON-UHFFFAOYSA-N 442.515 5.003 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1cccc(C=CC(=O)c2ccc(F)cc2F)c1 2325725779 IXCZUVGTBVSRJG-UHFFFAOYSA-N 428.434 6.162 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1Cl)C2=O 2325737185 PLMNKWHORMBWHE-UHFFFAOYSA-N 433.891 5.536 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2OC)cc1OC(=O)c1ccccc1OC 2325742787 TYTRBEGUIPPYLG-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE Cc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)OCCO4)c2)cc1C 2325745264 BHPYFQBIOQDZNU-UHFFFAOYSA-N 428.484 5.119 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1OC(=O)Cc1ccc(C)cc1 2325745758 ABGLFXMLIRJQSF-UHFFFAOYSA-N 442.555 6.345 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2cccc(OC(=O)CCOc3ccccc3)c2)cc1 2325746490 LMJWXFNAGPAYTE-UHFFFAOYSA-N 428.528 6.255 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)CC2CCCCC2)c1 2325763951 OEYWKZZSSSERMD-UHFFFAOYSA-N 426.940 6.429 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCc2ccccc2)n1N=Cc1ccco1 2326466110 BHWYEEMWMZYUMY-UHFFFAOYSA-N 446.532 5.189 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc([N+](=O)[O-])cc1 2327950963 QAXUCCZUIOOBPU-UHFFFAOYSA-N 441.944 5.175 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccccc1OC 2327951077 CJMQAZHYWRJYNA-UHFFFAOYSA-N 426.973 5.276 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2N=Cc2ccc(OC)cc2OC)CC1 2328180741 XPEYQRHOZARGAH-UHFFFAOYSA-N 444.645 6.144 30 10 IKEE COc1ccccc1OCc1nnc(SCc2ccccc2)n1N=Cc1ccc(F)cc1 2328276275 UPTCPHOYODAKHW-UHFFFAOYSA-N 448.523 5.179 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1ccc(C(C)(C)C)cc1 2328567106 ONOJJXXYONXCDN-UHFFFAOYSA-N 448.636 6.116 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2)n1N=Cc1c(Cl)cccc1Cl 2328754173 URNRKPDMZSDZMQ-UHFFFAOYSA-N 447.391 5.757 30 10 IKEE C=CCSc1nnc(COc2cccc(C)c2C)n1N=Cc1ccc(Cl)cc1Cl 2328857469 JSGRRBOJGMADSZ-UHFFFAOYSA-N 447.391 5.941 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2C)n1N=Cc1sccc1C 2329473216 GSSROTNFZFKPKK-UHFFFAOYSA-N 446.645 6.225 30 10 IKEE C=CCSc1nnc(CCc2cccs2)n1N=Cc1ccc(OCCCCC)cc1 2329673683 PCGLHIZZVHATPA-UHFFFAOYSA-N 440.638 5.854 30 10 IKEE Cc1ccccc1CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1ccc(O)c(O)c1 2330057765 NPLALGHUDNNBOT-SFHVURJKSA-N 444.560 5.324 30 10 IKEE Cc1ccc(CSc2nnc(Cc3cccs3)n2N=Cc2cccc([N+](=O)[O-])c2)cc1 2330316906 YFHTZRPLMWDGND-UHFFFAOYSA-N 449.561 5.322 30 10 IKEE CCCCC(=O)Oc1c(OC)cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1OC 2330596973 OCZHFTDYRXUFCD-UHFFFAOYSA-N 444.527 6.363 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C2CCCC2)c(Br)c1)c1cccc([N+](=O)[O-])c1 2330631876 RNMKURANHFGJAA-UHFFFAOYSA-N 444.281 5.349 30 10 IKEE CC(C)(C)CC(=O)Oc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 2330889122 KBJBVSAFNIRGLO-UHFFFAOYSA-N 446.297 5.595 30 10 IKEE Fc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2[C@H]2CCCO2)c(F)c1 2330990086 GIRRWOSCNGXHFC-GOSISDBHSA-N 434.899 5.236 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@H]3CCCO3)n2N=Cc2cc(Cl)ccc2O)c1 2330994170 UOXWEWLFBQVWEM-HXUWFJFHSA-N 442.972 5.280 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3ccc(F)cc3)nnc2C2CCCC2)c1 2331040583 JINOJTMJDWGKJU-UHFFFAOYSA-N 438.572 6.038 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3ccc(C=CC(=O)c4cccc(Cl)c4)cc3)c(C)c2c1 2331117783 KLBLRTQGCMJYHU-UHFFFAOYSA-N 429.903 6.553 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)[C@H]1CCCO1 2331135857 JTVZAEWSLNJPFU-OAQYLSRUSA-N 426.896 5.058 30 10 IKEE CCCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccc(Cl)cc2)cc1OC 2331152824 ZQLXAJKNLRJDGX-UHFFFAOYSA-N 437.717 5.713 30 10 IKEE Cc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2-c2ccco2)cc1 2331232418 MOTJDVWNSMULHB-UHFFFAOYSA-N 426.904 5.814 30 10 IKEE COc1cc(C=Nn2c(CC(C)C)nnc2SCc2cccc(F)c2)cc(Cl)c1O 2331443689 IIDFAOYOFHMHGG-UHFFFAOYSA-N 448.951 5.158 30 10 IKEE CCCOc1ccccc1C=Nn1c(CC(C)C)nnc1SCc1ccccc1Cl 2331456752 AYEJSDAMEUOAEA-UHFFFAOYSA-N 443.016 6.093 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc3ccccc23)cc(OC)c1OC(=O)CCCC 2331484915 BOIKPOHQLJGGIJ-UHFFFAOYSA-N 428.528 6.569 30 10 IKEE C=C(C)CSc1nnc(C2CCC2)n1N=Cc1ccc(OCCCCCC)c(OC)c1 2331519540 UTJFEBHRTQFGHD-UHFFFAOYSA-N 442.629 6.064 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C(C)C)cc1OC 2331707146 OPMPTEJYCMEXTB-UHFFFAOYSA-N 444.988 5.637 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Br)c1OC(=O)C(C)(C)C 2331708760 VBNXNRPMRMTUJB-UHFFFAOYSA-N 445.353 5.922 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)ccc1OC(=O)c1cccs1 2331761495 XDKCBSVXPOUBGF-UHFFFAOYSA-N 442.920 5.842 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(C=CC(=O)c3cc(C(C)(C)C)ccc3C)cc2)c1 2331786945 HARVJFQVCMYGSW-UHFFFAOYSA-N 426.556 7.025 30 10 IKEE C[C@@H](CCC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CCC(=O)C=C1C[C@H]3O)C(=O)O 2333314528 SATGKQGFUDXGAX-XOXWAERHSA-N 430.629 5.632 30 10 IKEE CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccs1 9775614 SRKLCQBRBPAJHI-UHFFFAOYSA-N 449.591 6.777 30 10 IKEE Cc1ccc(NS(=O)(=O)c2ccc(/N=C/c3cc([N+](=O)[O-])ccc3Cl)cc2)c(C)c1 12482296 WYHNABXEVMPBAF-YDZHTSKRSA-N 443.912 5.416 30 10 IKEE Cn1cccc1/C=C1/S/C(=N\c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C1=O 27229824 GPVIUJYRJXIINV-ZFGFYEEASA-N 428.344 6.141 30 10 IKEE COc1ccc(/C=C\C(=O)c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)cc1OC 33405969 WLDYFJUQIJMPEP-WQLSENKSSA-N 445.902 5.762 30 10 IKEE C=CCNC(=O)[C@H](C)Oc1ccc2c(c1)[C@@H](c1ccccc1)N(Cc1cccc(C)c1)CC2 34671849 KDWPIOPOLORVBC-RBISFHTESA-N 440.587 5.212 30 10 IKEE Cc1ccc(-c2ccc(/C=C\C(=O)c3cccc(NC(=O)c4ccco4)c3)o2)c([N+](=O)[O-])c1 35568753 ZUXMKFNYNGIPFF-FLIBITNWSA-N 442.427 5.905 30 10 IKEE C=C(C)C(=O)NCCCCCc1nc2ccccc2n1CCOc1ccccc1Cl 40219781 CIUVJGPTDIEAKG-UHFFFAOYSA-N 425.960 5.174 30 10 IKEE CC1=C(C)SC([C@@H]2SC(NN=C(c3ccccc3)c3ccccc3)=NC2=O)S1 51329732 FTWFZLHLYBBVRR-GOSISDBHSA-N 425.604 5.084 30 10 IKEE CCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CC)/C(=N/c3cccc(Cl)c3)S2)cc1 100184681 MNJBOTGNBQJOHR-NWIBBQCFSA-N 445.972 5.109 30 10 IKEE CCCCCCCOc1ccc(NC(=O)[C@H](CC)Oc2ccc(-c3ccccc3)cc2)cc1 100213412 BHCABKXKKPQCNY-NDEPHWFRSA-N 445.603 7.499 30 10 IKEE CCCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@@H](C)C3 101140114 BORQBRXLVMHNDF-QGZVFWFLSA-N 426.651 6.635 30 10 IKEE CCCCCCCCCCn1c([C@@H]2CC(=O)N(c3ccccc3CC)C2)nc2ccccc21 101322138 LNESAVNBYNAIOM-XMMPIXPASA-N 445.651 7.260 30 10 IKEE CCCCCCCCCn1c([C@H](C)NC(=O)COc2cc(C)ccc2C)nc2ccccc21 102129642 OKIMJEQYCFONDJ-QHCPKHFHSA-N 449.639 6.660 30 10 IKEE COc1ccc2c(c1)c(/C=C1\Oc3cc(OC(=O)c4ccc(C)cc4)ccc3C1=O)cn2C 103024440 IFUWCPPNCLLQCD-ROTLSHHCSA-N 439.467 5.331 30 10 IKEE C[C@@H]1CCc2c(sc3nc(Cc4ccccc4)n(Cc4cccc(C#N)c4)c(=O)c23)C1 169906042 XALRMWBYSNKWTE-QGZVFWFLSA-N 425.557 5.094 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2cccc(OC)c2)cc1 169931287 BMXPHVCTJJTARV-RUZDIDTESA-N 441.527 5.657 30 10 IKEE CCOc1c(Cl)cc(/C=N\Nc2nc(-c3ccccc3)c(C(=O)OC)s2)cc1OC 169940484 BIWAWORMRZIFHF-FMCGGJTJSA-N 445.928 5.103 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3c(C)cc(C)cc3C)cs2)cc([N+](=O)[O-])c1O 169943300 QAKKJIAIHKKRSJ-YVNNLAQVSA-N 426.498 5.194 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(F)c(C)c2)=C(O)C(=O)N1c1cc(C)ccc1C 169943723 BJHGIAXINLUBSW-XMMPIXPASA-N 445.490 5.542 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(N(C)C)cc2)cc1 169957015 LFXKLEKZBJMBPV-DEOSSOPVSA-N 448.563 5.062 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccc(O)cc2)c1 169960709 QOHZBRLHWCLSBW-VWLOTQADSA-N 427.500 5.111 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1cccs1)c1c[nH]c2ccccc12 169985268 PFJHFAANZKKBNB-FQEVSTJZSA-N 434.904 5.666 30 10 IKEE Cc1ccc(C2=C(Sc3ccc(Cl)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1C 170007196 JQJWSNIINJYORB-UHFFFAOYSA-N 444.943 5.905 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cccc3ccccc23)[C@H]1c1cccnc1 170007898 SDUCYRGAEFCAIF-DEOSSOPVSA-N 436.467 5.026 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccccc2)c1 170047526 IMBOHOBREDTTDE-QHCPKHFHSA-N 431.463 5.316 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2cccc(F)c2)c1 170140156 AKVVHIYJMHVILT-QHCPKHFHSA-N 427.431 5.663 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cc4cc(Cl)ccc4o3)=C(O)C(=O)N2c2ccccc2)c1 170141843 KAPSLEQTQURJDA-HSZRJFAPSA-N 443.886 6.178 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccs2)ccc1Cl 170154130 DEYRYZYJRWVZKV-GOSISDBHSA-N 445.949 5.250 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccccn2)cc1C 170171941 MOMIBRBRIWCDQP-XMMPIXPASA-N 442.515 5.269 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)c(Cl)c2)[C@@H]1c1ccccn1 170181077 OXOMFHUKQNZWAH-SFHVURJKSA-N 449.334 5.166 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1cccnc1)c1cc2ccccc2o1 170188491 BDOYSNLPRJXBRM-OAQYLSRUSA-N 430.847 5.264 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccccc2)c1 170224031 SAPWESFFGJSAQR-NRFANRHFSA-N 448.316 5.540 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(F)cc2)cc1C 170239698 YHJHLXRHWISLAA-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1F)c1cc2ccccc2o1 170248172 XKDZLVICFOEMJL-QFIPXVFZSA-N 431.394 5.494 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@H]1c1ccccc1F 170252813 OYNAZIBVTKOAJS-JOCHJYFZSA-N 425.500 5.254 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1c1ccc(C#N)cc1 170272884 WLEFGFSPKIDQDV-SANMLTNESA-N 444.490 5.803 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@H]3c3ccccc3C)oc12 170274233 PYKRYERVWPWQEI-QFIPXVFZSA-N 443.455 5.121 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(C)o2)ccc1Cl 170297934 GBXPCAJULAIMJT-IBGZPJMESA-N 443.908 5.090 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2sccc2C)cc1C(C)C 170319611 MWWDNMVYNSBUBW-NRFANRHFSA-N 439.577 5.709 30 10 IKEE COc1ccc(Cl)cc1C(=O)Nc1c(C#N)cnn1-c1cc(C)c2cc(C)cc(C)c2n1 170536262 NBQWQGIJMXLRMH-UHFFFAOYSA-N 445.910 5.132 30 10 IKEE Brc1cccc(-c2nc3cc(N=C/C=C/c4ccc5c(c4)OCO5)ccc3o2)c1 252624252 PKDUHMHSMTVTIK-MMFJBHRBSA-N 447.288 6.402 30 10 IKEE Cc1[nH]c2ccccc2c1C=Nn1c(-c2ccc(OC(F)F)cc2)csc1=NC1CC1 254736896 ILXJSESKBLJVHZ-UHFFFAOYSA-N 438.503 5.553 30 10 IKEE N#C[C@@H](Nc1cccc(Br)c1)c1c(Br)cncc1Br 394516276 DSZYDBKROIQRSO-GFCCVEGCSA-N 445.940 5.046 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)cc1Cl)NC 406217335 KJXZSBBZNUTYRE-IRXDYDNUSA-N 431.802 5.093 30 10 IKEE COC(=O)c1ccc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526487867 GVQBXRGQTHASML-JOCHJYFZSA-N 444.874 5.055 30 10 IKEE CCOc1cc([C@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)ccc1OC 526520551 HHMBFJFDVRIQCT-VWLOTQADSA-N 440.499 5.331 30 10 IKEE Cc1ccc(COc2ccccc2/C=N\n2cnnc2SCc2ccc(C)cc2C)cc1 526810747 KMGKYHUYEROBQZ-MBTHVWNTSA-N 442.588 5.957 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1cccc(O)c1 526813756 IOCZWPDKNLWWNT-FMCGGJTJSA-N 435.380 5.808 30 10 IKEE CCCCOc1cccc(/C=N\n2c(CC)nnc2SCc2ccccc2Cl)c1 526816568 JOPBHAXUFDHPTB-IWIPYMOSSA-N 428.989 5.847 30 10 IKEE C=C(C)CN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586135904 HVAKYDFDZNWBGA-UHFFFAOYSA-N 438.298 5.779 30 10 IKEE CC(C)COc1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2cccs2)cc1 586216374 MAIOZVIKZCKMSO-UHFFFAOYSA-N 426.563 5.050 30 10 IKEE C=CCCCCC[C@H](N)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 686829428 UZLVEZCUEMPPJV-QHCPKHFHSA-N 429.649 5.400 30 10 IKEE Cc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)c(Cl)c1 698458475 PFLGTVPNMRVYHC-GOSISDBHSA-N 435.749 6.417 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@H](C#N)c1ccc(Br)c(Br)c1 698829561 SRLZGFVJPVYMQY-OAHLLOKOSA-N 446.183 5.669 30 10 IKEE Cc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)cc1Br 698961187 XQEJTILBKILVKF-GOSISDBHSA-N 435.749 6.417 30 10 IKEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@@H](C#N)c1cccc(Cl)c1Br 719686474 SXNJHUWPOHYCOA-NSHDSACASA-N 427.648 5.467 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@H](C#N)c1cccc(Cl)c1Br 719724903 GUMOGVYFNJUSNJ-KRWDZBQOSA-N 435.749 6.104 30 10 IKEE C=C1CC[C@H](O)C/C1=C/[C@@H](O)[C@]1(O)CCC[C@@]2(C)[C@H]([C@@H](C)/C=C/[C@@H](C)C(C)C)CC[C@@H]21 1084294707 KXILCRGOVVVVRF-SOQLCUCTSA-N 430.673 5.807 30 10 IKEE CCCCCCN(CCCCCC)CN1C(=O)C(=Nc2ccc(C)cc2)c2ccccc21 1084553171 GQZFUNDQRVDGDZ-UHFFFAOYSA-N 433.640 6.883 30 10 IKEE CC(=O)O[C@H]1CC[C@@]2(C)[C@@H]3CC[C@]4(C)[C@H](C[C@@H]5CCCC[C@@]54C(C)=O)[C@@H]3C[C@H]3O[C@]32C1 1565538505 UOCUEIOMIAYZNI-IGMAXDIMSA-N 428.613 5.468 30 10 IKEE COc1ccc(/C=C2\SC(=Nc3ccncc3Cl)N(C3CCCCC3)C2=O)cc1 1772737548 PEAUWXIYDOSCFI-MJBUPYINSA-N 427.957 5.680 30 10 IKEE CC(C)(C)c1csc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)s3)C2)c1C#N 1860659546 QGLIAJZQJGYMQQ-LBPRGKRZSA-N 436.002 5.123 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 1861670405 OTQCKEDOEMLLGM-WIYYLYMNSA-N 425.013 5.259 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 1862379429 BLVJXNMEQVKRPH-JXFKEZNVSA-N 446.330 5.059 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(C)cc2)cc1 1862390088 VLWJJASJZXMMDE-AREMUKBSSA-N 445.603 6.639 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2c(F)cccc2Cl)cc1 1862395904 AXUYKJVRRVMLLU-JOCHJYFZSA-N 443.946 6.056 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccccc1F)c1ccc(F)cc1F 1862411417 HPDOFWQJGQKKMT-OAQYLSRUSA-N 441.380 5.022 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CCCC2)cc1 1862437105 JNIJBZKEKKILHT-QFIPXVFZSA-N 439.939 5.650 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCCOC(C)C)cc1 1862441217 CCVLQVOVQSDJOF-OAQYLSRUSA-N 427.928 5.042 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 1862448979 ZQGSPQQHVRHFRN-OAQYLSRUSA-N 448.862 5.027 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(CC)cc1 1862474602 PSZVBCXQGZSGOU-ILBGXUMGSA-N 433.592 6.495 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccc(C(=O)O)cc2)cc1 1862478235 BSFUBSBXJRCNIY-QHCPKHFHSA-N 447.531 5.384 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@H]2c2cccc3ccccc23)cc1 1862480595 KFXUZBJRIQQMMW-VWLOTQADSA-N 442.559 5.068 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCCCC2)cc1 1862488628 FBBDVSXYHRYNQG-DEOSSOPVSA-N 433.548 5.613 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccccc2C)cc1 1862507441 LNCNCABSVDBEAK-XMMPIXPASA-N 445.490 5.230 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C2CC2)c1 1862582907 PBIAZOIXIUGDJQ-LJQANCHMSA-N 432.303 5.133 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCCc2ccccc2)cc1 1862590393 HZCBXWQCSLGPDS-VWLOTQADSA-N 441.527 5.166 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccccc2F)cc1F 1862638386 ADIMOFZKYKVYEE-JOCHJYFZSA-N 441.474 5.275 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C(C)C)cc3)[C@@H]2c2ccc(C)cc2)cc1 1862659949 GQJOEFQFARUGKB-SANMLTNESA-N 439.555 6.205 30 10 IKEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)cc1 1862674032 RLMBCAMEYSDODI-CMJOXMDJSA-N 449.453 5.313 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1F 1862676089 ZTXJGLIRBTWFOT-GCJKJVERSA-N 445.481 6.041 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862676377 HZRAKGCNTMHABT-QHCPKHFHSA-N 449.453 5.142 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C34CC5CC(CC(C5)C3)C4)[C@@H]2c2ccccc2)cc1 1862686705 CGMNCMSSHPUYAK-RZNVFEIWSA-N 443.543 5.242 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc(O)c1 1862687296 ITANNBIPBLINPV-WMZHIEFXSA-N 437.536 5.338 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)c1 1862705119 QOKHAHGRQQUFLJ-QHCPKHFHSA-N 435.564 5.617 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc(OC)c1 1862715777 RGKYSOUFSWWYKM-VWLOTQADSA-N 443.543 6.007 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccc1[N+](=O)[O-] 1862717298 ADEPTZILTZPCBH-IVZQSRNASA-N 430.460 5.125 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cccc(F)c1 1862735264 GSVGZYBOIVIAFJ-OYHNWAKOSA-N 446.434 5.073 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1c(Cl)cccc1Cl 1862760310 LULQCFYATXVURK-SFHVURJKSA-N 449.290 5.280 30 10 IKEE Cc1ccc(Cl)cc1NC1=C(c2ccc(F)cc2F)C(=O)N(c2ccccc2C#N)C1=O 1862952910 CFZPNFDYWAQZQF-UHFFFAOYSA-N 449.844 5.195 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(Cl)c2)=C(c2ccccc2OC)C1=O 1863425588 PYSLTBZWEXZZTP-UHFFFAOYSA-N 440.971 5.901 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C)c2)=C(c2c[nH]c3ccccc23)C1=O 1863490114 JVIXZTXKJDPIOB-UHFFFAOYSA-N 429.564 6.029 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccccn2)=C(c2ccc(C)cc2)C1=O 1863620101 MXQWTJNEIVSYMB-UHFFFAOYSA-N 433.596 5.400 30 10 IKEE N#Cc1cccc(Nc2cc(N3CCC[C@@H](Oc4ccccc4)C3)nc(-c3cccnc3)n2)c1 1868553766 VHNBANOWBFIWIL-XMMPIXPASA-N 448.530 5.202 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N(C)Cc2ccccc2)nn1-c1ccc(OC)cc1 1870014460 ZINMBPVIGXVASO-UHFFFAOYSA-N 449.599 5.601 30 10 IKEE CCCCCCCOc1cn(C[C@H](C)O)c(CSc2nc3ccccc3s2)cc1=O 1870251581 LSHXVLKLCJSPMQ-KRWDZBQOSA-N 446.638 5.480 30 10 IKEE C=CCOc1cn(C[C@@H](O)c2ccc(Cl)cc2)c(CN(CCCC)CCCC)cc1=O 1870387098 PXKDMJGOKFQHJP-XMMPIXPASA-N 447.019 5.202 30 10 IKEE CCCCCCCOc1cn(CCCCCCO)c(CN2C[C@@H](C)C[C@H](C)C2)cc1=O 1870416969 XKXOGZHWQZRUHE-GOTSBHOMSA-N 434.665 5.228 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(F)cc2)cn1CCC1=CCCCC1 1870624169 HKUWVWKCVZQAGZ-UHFFFAOYSA-N 436.571 5.631 30 10 IKEE CCCCCCCCCCn1cc(OCCO)c(=O)cc1CNc1ccc(C)cc1C 1870792050 XUSSQPOBJKOTKK-UHFFFAOYSA-N 428.617 5.589 30 10 IKEE C=CCn1cc(OCCOc2ccc(C(C)(C)C)cc2)c(=O)cc1CNc1ccc(C)cc1 1871039604 ISDBJQZXNZXBFM-UHFFFAOYSA-N 446.591 5.710 30 10 IKEE CCCCCCCCn1cc(OCC(N)=O)c(=O)cc1CNc1ccc(CCCC)cc1 1871117865 TXBPTHJCQURYGG-UHFFFAOYSA-N 441.616 5.028 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc3c2CN(C2CCCCCCC2)CO3)C1=O 1871348590 IBSVNWWVYAEINS-XYGWBWBKSA-N 433.548 5.966 30 10 IKEE CCn1cc(/C=C2\Oc3c(ccc4c3CN([C@@H]3CCCC[C@@H]3C)CO4)C2=O)c2ccccc21 1871351336 VUHFDPMBDMOUEU-PVJSPLJHSA-N 442.559 6.008 30 10 IKEE CC(=O)Nc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(Cl)c2)C3=O)c1 1871365137 PAIMEMPJDIRKGD-UUYOSTAYSA-N 447.874 5.442 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2C)C1=O 1871373162 JPHLBTBRNCQAMB-NHDPSOOVSA-N 449.846 5.700 30 10 IKEE CCCOc1ccccc1/C=C/C(=O)Oc1ccc2c(c1C)O/C(=C\c1ccc(C)o1)C2=O 1871376086 SAUVSMCYYLPTKB-ZOOSRWFRSA-N 444.483 5.920 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4cccc5ccccc45)c3C)C2=O)cc1 1871378087 USIVAEKYBCEHOM-XYGWBWBKSA-N 436.463 5.992 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3cc(OC(=O)CCc4ccccc4)cc(C)c3C2=O)c1 1871385559 AGWBBBZVFPIANS-IWIPYMOSSA-N 444.483 5.167 30 10 IKEE CC(C)(C)c1ccc(/C=C2\Oc3cc(OC(=O)CCc4cccs4)ccc3C2=O)cc1 1871391660 CMKILLZIMRRNCE-HAHDFKILSA-N 432.541 6.200 30 10 IKEE COc1cccc(/C=C2\Oc3c(CN(Cc4ccccc4)C(C)C)c(O)cc(C)c3C2=O)c1 1871393667 CNBSSSOWWKPVRI-MYYYXRDXSA-N 443.543 5.736 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871410660 GUASMHFKHJWRCO-UFAQQFSPSA-N 441.527 5.888 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccc(C)cc4C)ccc3C2=O)c1 1871411998 SWYMCJFBXGZHCD-LPANUZLBSA-N 427.500 5.634 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2F)C3=O)c1 1871412685 ZDDIRXHIXFQAAU-DNNAEVNTSA-N 445.490 5.773 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCc3cc(C)c(C)cc3C)cc(C)c2C1=O 1871422873 GTURDUCIQUTQSQ-WGARJPEWSA-N 428.528 6.514 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[C@H](C)CC)S(=O)(=O)CCCC 1871958476 BRDUPGCSMWGVBS-BEFAXECRSA-N 449.444 5.355 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(C)cc1C)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 1872533568 NIDOULNCBMPMFW-RUZDIDTESA-N 448.588 5.169 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@H](C#N)C(=O)Cc3ccc(OC(C)C)cc3)n2)c1C 1872777957 AATCESFUPWHZQQ-JOCHJYFZSA-N 432.589 6.250 30 10 IKEE CCCCCCCCNC1=C(c2ccc(-n3cccc3)cc2)C(=O)N(C2CCCC2)C1=O 1873038552 OJIYYPSZNGWMCG-UHFFFAOYSA-N 433.596 5.450 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(C)c(C)c2)C(=O)N(C2CCCCC2)C1=O 1873141135 LTTUQRBNAZWJKV-UHFFFAOYSA-N 438.656 6.446 30 10 IKEE C=CCn1c(C(=O)Nc2ccc3cc[nH]c3c2)cc2c(N(CCC)CCCC)ncnc21 1873659305 LBFVREKIOQBOBK-UHFFFAOYSA-N 430.556 5.367 30 10 IKEE N#Cc1cccc(NC(=O)[C@H](NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)c1 1873867613 VKUJLCUDWIPXCE-HHHXNRCGSA-N 445.522 5.186 30 10 IKEE COc1cc(/C=N/n2c(Cc3cccc4ccccc34)nnc2SC)ccc1OC(C)C 1874268299 QIONKVFVBVNZRH-WGOQTCKBSA-N 446.576 5.422 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2/N=C/c2cccnc2)cc1C 1874357348 BXPFPLZUIVUUKJ-JFLMPSFJSA-N 431.540 5.194 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccccc3Cl)n2/N=C/c2cccnc2)c1 1874365541 HVBXYHMWDWPGAO-VULFUBBASA-N 433.968 5.785 30 10 IKEE Cc1ccccc1/C=N/n1c(COc2ccccc2)nnc1SCc1ccccc1C 1874382876 MVCVSLCTFZVXIX-WGOQTCKBSA-N 428.561 5.648 30 10 IKEE Cc1ccccc1CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1ccc(F)cc1F 1874392143 FMZMTQXZCHIRCC-UEYIPHHSSA-N 448.542 6.191 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1cccs1 1874392490 NQEDJGBWPXPBOO-HIQXPHMNSA-N 447.589 5.104 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2ccc(F)cc2)nnc1[C@@H](C)c1ccccc1 1874394789 VUGCZFNDCBEQFJ-FQNOVECQSA-N 430.552 6.052 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCCc2ccccc2)nnc1-c1ccccc1 1874428732 ZBIURMLWNWRNBI-NHFJDJAPSA-N 440.572 5.727 30 10 IKEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3cccc(C)c3C)nnc2C(C)(C)C)cc1 1874483152 HGTHBWIQWVQSNF-AFUMVMLFSA-N 435.597 5.114 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(Br)cc1 1874483447 WUCLSJMPYQWXJN-FSJBWODESA-N 447.377 5.652 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(F)cc2)n1/N=C/c1c(Cl)cccc1Cl 1874483486 YMBSVQLHFZUUIV-BHGWPJFGSA-N 437.371 6.196 30 10 IKEE COCc1nnc(SCc2ccccc2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874501575 NZFPPMXXGOGWFO-WGOQTCKBSA-N 444.560 5.178 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(C2CC2)n1/N=C/c1ccc(C(C)C)cc1 1874517645 DYJJGQJHPWZMJG-CVKSISIWSA-N 447.608 5.454 30 10 IKEE CCOc1ccc(/C=N/n2c(CC)nnc2SCc2ccc(Cl)cc2)cc1OCC 1874527663 ZSTJENHMUOZOFT-ZVHZXABRSA-N 444.988 5.466 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(F)cc2F)c1OCc1ccc([N+](=O)[O-])cc1 1874576597 VOFVBGFNQCYVKG-KPKJPENVSA-N 425.387 5.357 30 10 IKEE CCCN(CCC)C(=O)COc1c(/C=C/C(=O)c2ccc(Cl)cc2)cccc1OC 1874578486 QEEMDDSQWDCHSS-SDNWHVSQSA-N 429.944 5.272 30 10 IKEE C=C(C)COc1c(/C=C/C(=O)c2ccc(OC)cc2OC)cc(Br)cc1OC 1874587809 GHPNOWSDBFZOAW-RMKNXTFCSA-N 447.325 5.326 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccccc2)cc1Cl 1874588612 VOSYJDQYVZUUGZ-CSKARUKUSA-N 443.326 6.486 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccccc1OCC(=O)Nc1nccs1 1874589089 SJPBQMHTCJLIPA-BQYQJAHWSA-N 442.924 5.027 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccc(C)c(C)c2)c(C)c1 1874589972 MJTSPNTWUAPWRU-ACCUITESSA-N 427.544 6.142 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2c(OCc3cccc(C)c3)ccc3ccccc23)cc1C 1874590738 ICMPJNVWUDWRHG-BUHFOSPRSA-N 436.551 7.249 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1OCc1ccc(C)cc1 1874593728 YVDPXKLNMOCPQJ-NTUHNPAUSA-N 437.333 6.241 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OCc1c(F)cccc1Cl 1874617778 SVCBHJVPOVPWKO-FMIVXFBMSA-N 438.926 6.970 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1ccc(Oc2ccccc2)cc1 1874627186 LAFIOAMPHNLTBC-WOJGMQOQSA-N 440.926 7.607 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OCc1cccc(F)c1 1874634121 MBCKUUGUEIEXLA-CMDGGOBGSA-N 438.926 6.888 30 10 IKEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1Cl 1874635875 XQSBFVFMPAIHLU-JLHYYAGUSA-N 441.999 6.089 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)[C@@H](C)c3ccccc3)c2)cc1OC 1874694382 ZYTQFZFINHILGL-HGZMWJMZSA-N 446.499 5.318 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2)cc1OC(=O)Cc1ccc(Cl)c(Cl)c1 1874700668 GEVWUHLYJSEMCK-DHZHZOJOSA-N 441.310 6.046 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1OC(=O)CC1CCCCC1 1874712939 XPJSTRXKTVAXBB-JLHYYAGUSA-N 436.548 6.093 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccc(F)cc3)c2)cc1C 1874716841 LTIZZYBSPYVCEK-YRNVUSSQSA-N 448.490 5.504 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3c(C)cccc3C)cc2)cc1OC 1875099130 SQYAERAKKUWVHD-GXDHUFHOSA-N 446.499 5.201 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1ccccc1C 1875099219 WUVBRVMNBWMIRB-RVDMUPIBSA-N 426.512 5.998 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3)c([N+](=O)[O-])c2)cc1 1875106528 UVARZQRXKDXSRF-FOWTUZBSSA-N 443.499 5.982 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(Br)cc3)cc2)cc1 1875108717 CBHFOZPAKXGAKQ-OVCLIPMQSA-N 435.317 5.802 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC(=O)[C@@H](C)c1ccccc1 1875121765 GXBXBWPQHXKGBW-SZEUEKNRSA-N 434.919 6.344 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)c1ccccc1F 1875126077 OQWXKBVGLFMBBY-KPKJPENVSA-N 440.854 5.612 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cc(OC)ccc3OC)cc2)cc1 1875129556 IOFUPOGARCEONB-VIZOYTHASA-N 446.499 5.147 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3OC)c([N+](=O)[O-])c2)cc1 1875130533 UYLFXXVHYPBFGP-RIYZIHGNSA-N 447.443 5.117 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1 1875134033 JKTJVHKQHBAFFX-LFYBBSHMSA-N 429.274 6.177 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)[C@H]3C[C@H]3c3ccccc3Cl)cc2)ccc1F 1875141230 UKNLXAXCGLEBDH-BKPMOURTSA-N 434.894 6.393 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC(=O)[C@H](C)c1ccccc1 1875145479 NQXUISSYCWEOEX-CMQXMCPJSA-N 444.527 6.008 30 10 IKEE COCC(=O)Oc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1Br 1875169260 MHSPAXPUOYXDCA-SOFGYWHQSA-N 431.326 5.131 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1ccc(Cl)cc1 1875176975 UJWQUFKGPXHGJC-AWNIVKPZSA-N 434.919 6.471 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)c1cccnc1 1875182867 YULUSIYGNLFBHD-CMDGGOBGSA-N 431.488 5.139 30 10 IKEE C=CCn1c(C(=O)N(CCCC)CCCCCC)cc2c(NCCC(C)C)ncnc21 1875227968 TUKUUZGPEIBXKL-UHFFFAOYSA-N 427.637 5.898 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)NCC 1922054206 INJUDYSVKONXLU-KMDXXIMOSA-N 430.633 5.601 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1C[C@@]12CCCN(C(=O)OC(C)(C)C)C2 1922101847 ZORWFMOKIHMNHP-JCYRPKCISA-N 428.617 5.165 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC[C@@H](CCNC(=O)OC(C)(C)C)C(C)(C)C)NCC 1922108106 RDQDDLLHKXORIR-ZEQRLZLVSA-N 446.676 6.095 30 10 IKEE CC(C)[C@H](C#N)COc1c(Br)cc(Br)cc1Br 1925856507 GVOYXPILLOPPPI-MRVPVSSYSA-N 425.946 5.149 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 1944735975 IWXHRHDHZQCCMF-RBUKOAKNSA-N 433.524 5.249 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 1945529735 YUIFKEUCLKJITO-HOJAQTOUSA-N 435.609 5.484 30 10 IKEE C#Cc1ccc([C@@H](CCCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 1951580326 CNKRFKGKLZSIAI-AREMUKBSSA-N 439.511 5.503 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1C(C)(C)[C@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 2007090648 NQEMQBXUSXVBPS-QZTZHPFYSA-N 433.593 5.094 30 10 IKEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1C 2032559913 BLVHVOMIIKGECC-CLOONOSVSA-N 443.588 5.666 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)C1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2042148986 NTKSBGNSIFSJGY-IRXDYDNUSA-N 447.551 5.352 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CC[C@@H](C)C[C@H]2OCc2ccccc2)cc1 2043779040 ZUUXYLXRCOITJP-DBTWGZIYSA-N 434.580 6.404 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)C2(CCC2)C1 2075895678 NZSNDAVTRVCJAK-VQTJNVASSA-N 447.620 5.486 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@]1(C)CCCN1C(=O)OC(C)(C)C 2076987156 SNQBQPDKIIKCRI-YADARESESA-N 445.560 5.118 30 10 IKEE Cc1cc(C)c([C@H](C2CC2)n2nc(C(C)(C)C)c(C#N)c2I)c(C)c1 2080053563 UVWAKGHSWJNDSV-SFHVURJKSA-N 447.364 5.582 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Br)c1C)NCCC 2087429119 HWXJPVVZXCJHHA-MOPGFXCFSA-N 425.411 5.138 30 10 IKEE CCC[C@]1(CNc2cccc(Br)c2C#N)CCCN(C(=O)OC(C)(C)C)C1 2162412458 AISYYSCJLJDWSX-OAQYLSRUSA-N 436.394 5.550 30 10 IKEE CC(C)(C)OC(=O)N1CCCc2cc(Nc3cccc(Br)c3C#N)ccc21 2162419598 JEWVNTFGENVNCE-UHFFFAOYSA-N 428.330 5.752 30 10 IKEE CN(Cc1cccc(NC(=O)OC(C)(C)C)c1)c1cc(Br)cc(F)c1C#N 2174813376 VJZAZTOTWJKYLY-UHFFFAOYSA-N 434.309 5.443 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2ccc(CC#N)cc2)ccc1Br 2181055333 HLHIXNJRJBLGIM-UHFFFAOYSA-N 430.302 5.114 30 10 IKEE CCCCCC#CC[C@@H](NCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2203811315 VNTGBGJYDRLQFZ-HXUWFJFHSA-N 437.422 6.421 30 10 IKEE Cc1sc([C@@H](C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)c(C)c1Br 2219356682 LSWNXNRSVZHMSH-GFCCVEGCSA-N 428.356 5.630 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](Nc2cc(Br)ccc2C#N)C[C@H]1C(F)(F)F 2279226988 DKMIJAHTUYHPBY-ZFWWWQNUSA-N 448.283 5.063 30 10 IKEE CC(C)(C)OC(=O)N1CCc2c(cccc2Nc2c(Br)cccc2C#N)C1 2285241715 MJARSXPJDURBBP-UHFFFAOYSA-N 428.330 5.358 30 10 IKEE C[C@H](CN(CCC(C)(C)C)C(=O)OC(C)(C)C)Oc1cc(Br)cnc1C#N 2288108517 LXPIXPLPUUKGFJ-CQSZACIVSA-N 440.382 5.156 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)C(C)(C)[C@H](C)NC(=O)OC(C)(C)C 2296222039 ONBBCBTZGFQCPD-QFBILLFUSA-N 437.422 5.108 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)C[C@@H](NC(=O)OC(C)(C)C)C(C)C 2296284043 MTDXGKWHWGHBOF-WOJBJXKFSA-N 437.422 5.108 30 10 IKEE COc1ccc(C=C2SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1O 2297460387 CMKSGDKULPPFME-UHFFFAOYSA-N 430.529 5.826 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1cccc(Cl)c1Cl)C2=O)c1ccc(F)cc1 2314437535 OYGFLYMSTHKVMZ-UHFFFAOYSA-N 429.230 5.968 30 10 IKEE O=[N+]([O-])c1cc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CC2)ccc1Cl 2320886516 YTQAPJSQQPMXKW-UHFFFAOYSA-N 448.335 5.545 30 10 IKEE Cc1cc(C)cc(CSc2nnc(C)n2N=Cc2ccc(-c3ccccc3Cl)o2)c1 2321817818 RXPDIBSPUBZYNE-UHFFFAOYSA-N 436.968 6.291 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1cccc(F)c1)C3=O)CN(CCc1ccc(F)cc1)CO2 2322286723 QTNBJPMATKUDNP-UHFFFAOYSA-N 433.454 5.284 30 10 IKEE CCCCOc1ccc(C=NNc2cnn(-c3cccc(Cl)c3)c(=O)c2Cl)cc1 2322607239 VCOKVQQAGMOBND-UHFFFAOYSA-N 431.323 5.164 30 10 IKEE COc1ccc2ccccc2c1C=NNc1cnn(-c2cccc(Cl)c2)c(=O)c1Cl 2322607259 BDXXPBSHHGXAEE-UHFFFAOYSA-N 439.302 5.147 30 10 IKEE Cc1cc(C(=O)C=Cc2cc(Br)ccc2OCc2cccc(F)c2)ccc1F 2322627589 IYDZITILJCMJIH-UHFFFAOYSA-N 443.287 6.511 30 10 IKEE CCCNC(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc(Oc2ccccc2)cc1 2322807555 DQNFOMCFZRUZBJ-UHFFFAOYSA-N 449.934 5.933 30 10 IKEE O=C(Cc1ccccc1)Oc1ccc2c(c1)OC(=Cc1c(Cl)cccc1Cl)C2=O 2322884392 CMSLFQDDPHQMLY-UHFFFAOYSA-N 425.267 5.758 30 10 IKEE COc1cc(C=NNc2ccc(F)cc2)cc(Br)c1OCc1ccccc1 2322953369 JSJOBNGYNQLRFD-UHFFFAOYSA-N 429.289 5.622 30 10 IKEE O=C(C=Cc1cccc(OCc2c(Cl)cccc2Cl)c1)c1ccc2c(c1)OCO2 2323201504 DQGCRDIKGXABDK-UHFFFAOYSA-N 427.283 6.197 30 10 IKEE Cc1c(OC(=O)C=Cc2ccc(Cl)cc2)ccc2c1OC(=CC=Cc1ccccc1)C2=O 2323327623 DZBAZWCXVGUBKU-UHFFFAOYSA-N 442.898 6.440 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc3c(c2C)OC(=CC=Cc2ccccc2)C3=O)cc1 2323374638 PPEUFAZLEUCZGJ-UHFFFAOYSA-N 440.495 5.714 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccccc3Cl)cc2Cl)cc1 2323603314 NGTIBFFZFNBMNW-UHFFFAOYSA-N 440.326 6.215 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 2323987308 OPPASMJPLVZCSC-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OCc1ccc(C)cc1 2324059077 SAUPYJAPGOFTPJ-UHFFFAOYSA-N 444.571 6.785 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1F 2324124235 IWPWDKTUIIJRGC-UHFFFAOYSA-N 449.478 5.065 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccc(C=CC(=O)c2cccc3ccccc23)cc1 2324128158 JMCCFJQMRXFUPL-UHFFFAOYSA-N 435.523 6.370 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2F)C3=O)cc1 2324451585 BCQQAASPLMWJSB-INIZCTEOSA-N 447.462 5.165 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2sccc2C)C3=O)cc1 2324455414 LTUJXINVSZQUOI-MRXNPFEDSA-N 449.528 5.396 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OCc1ccccc1F 2324545252 CXIVFHXJPNBJEK-UHFFFAOYSA-N 438.926 6.888 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)c(OC)cc2C)ccc1OCc1ccccc1F 2324644499 IRGHNKFAAMAAOP-UHFFFAOYSA-N 434.507 6.325 30 10 IKEE CC(=O)c1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccc(C)cc2)C3=O)cc1 2324983589 QWIVYFOPLIUMHI-UHFFFAOYSA-N 441.483 5.140 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(c4ccccc4)c4ccccc4)cc(C)c3C2=O)cc1 2325216601 KPMJIQOLOQRPMQ-UHFFFAOYSA-N 446.546 7.342 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccccc2Cl)cc1 2325471165 YPFAULZKRDJWRT-UHFFFAOYSA-N 432.980 6.005 30 10 IKEE O=C(Oc1cccc(C=CC(=O)c2ccc(F)cc2F)c1)c1ccc(C(F)(F)F)cc1 2325726256 NOIAHBSSGXXCAP-UHFFFAOYSA-N 432.344 6.099 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1ccccc1)C2=O)Nc1ccc(Cl)c(Cl)c1 2325733628 YAMVTPSVFYIHBG-UHFFFAOYSA-N 440.282 5.627 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OC(=O)COc1c(C)cccc1C 2325740137 INASEBWNDGPWLV-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cccc(C)c3)c2)c(OCC)c1 2325762752 CPWSUCWVQLVBKP-UHFFFAOYSA-N 430.500 5.908 30 10 IKEE CCCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccc(C)cc1 2326031480 ZFSMVSCDZJCCPX-UHFFFAOYSA-N 428.989 5.636 30 10 IKEE CSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1cccc2ccccc12 2326037624 RJJBMDFFOHLFMC-UHFFFAOYSA-N 436.968 5.700 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2sccc2C)c(C)c1 2326460814 BWJFPJACWMEAOM-UHFFFAOYSA-N 432.618 6.030 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1ccccc1OCC(C)C 2326681542 RVFMRSJRDIGPJE-UHFFFAOYSA-N 447.608 5.702 30 10 IKEE CCCCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1N=Cc1cccs1 2326881221 CPPIGMJLANLDIU-UHFFFAOYSA-N 432.571 5.015 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2sccc2C)cc1 2328567405 ZOXXBJXBYCLUMO-UHFFFAOYSA-N 448.617 5.812 30 10 IKEE CCCSc1nnc(COc2cccc(C)c2C)n1N=Cc1ccccc1OC(C)C 2328863559 GYYMHTDBSQIYKR-UHFFFAOYSA-N 438.597 5.645 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccc(C)cc3C)n2N=Cc2ccccc2)cc1 2328877414 QQYWYVFBSXTWHQ-UHFFFAOYSA-N 442.588 5.957 30 10 IKEE CSc1nnc(CCOc2ccccc2)n1N=Cc1cccc(OCc2ccccc2)c1 2329144588 BRYZVOWUJUKQEV-UHFFFAOYSA-N 444.560 5.083 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2cccc(F)c2)nnc1-c1ccccc1Cl 2329551692 FQCHESHMOJHQSS-UHFFFAOYSA-N 436.943 6.221 30 10 IKEE CCCCCOc1ccc(C=Nn2c(CCc3cccs3)nnc2SC)cc1OC 2329625736 STVZNYANUPUIQK-UHFFFAOYSA-N 444.626 5.307 30 10 IKEE COc1ccccc1C=Nn1c(CCc2cccs2)nnc1SCCc1ccccc1 2329668004 ZOMHCZYRNOTPGT-UHFFFAOYSA-N 448.617 5.350 30 10 IKEE Cc1cccc(CSc2nnc(CC3CCCCC3)n2N=Cc2ccc(N(C)C)cc2)c1 2330246216 RJHNXDAANSBBBS-UHFFFAOYSA-N 447.652 5.950 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2-c2cccs2)cc1 2330540901 JZMIYSDYVUESKT-UHFFFAOYSA-N 438.553 5.719 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(CC)cc3)cc2)cc1 2330742376 USBLHUJZEHJIHN-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3)c(OCC)c2)cc1 2330840731 CGHYYFHQOSGCEG-UHFFFAOYSA-N 446.518 6.682 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccccc2C)n1N=Cc1cccc(Cl)c1 2331327706 KIJNKRCFNZPWKJ-UHFFFAOYSA-N 441.988 5.196 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)COc2ccc(C)cc2C)cc1 2331351903 LESWVKQDRMABOZ-UHFFFAOYSA-N 430.500 5.501 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)[C@H](C)c2ccccc2)c([N+](=O)[O-])c1 2331362443 KRDGQGZLZNNUCD-GOSISDBHSA-N 445.471 5.517 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(O)cc1 2331411032 GMXWTENREQBAMQ-UHFFFAOYSA-N 435.380 5.763 30 10 IKEE CCOc1c(C=Nn2c(CC(C)C)nnc2SCc2ccccc2C)cccc1OC 2331431438 FTZSNODBWUWFFV-UHFFFAOYSA-N 438.597 5.367 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)CC2CCCCC2)c(Cl)c1 2331876705 NNRHRSSQTFFSGH-UHFFFAOYSA-N 447.358 6.774 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c(OC)c2OC)cc1 2331885588 UTMJHTSMZYYILA-UHFFFAOYSA-N 426.509 5.484 30 10 IKEE C=CC[C@H](C)[C@H](Cc1ccc(I)c(Br)c1)NCCC 2349779793 YEAJAZAWFGYFKK-LRDDRELGSA-N 436.175 5.177 30 10 IKEE C=CCn1c(S[C@@H](C(=O)Nc2cccc(C(C)=O)c2)c2ccccc2)nnc1C1CC1 21143710 UFSXKRLTDPWACE-OAQYLSRUSA-N 432.549 5.016 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccs2)cc1 21226771 MKBAHUZRQGVOGO-QYBDOPJKSA-N 430.573 6.516 30 10 IKEE Cc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC(C)C)cc2)C3)c1 21242668 ZSEMWDAUPJCYNF-ZTOMLWHTSA-N 438.571 6.762 30 10 IKEE C=C(C)C(=O)NCCc1nc2ccccc2n1CCCCOc1ccc([C@@H](C)CC)cc1 35144695 UKACFJDHQQQQDP-NRFANRHFSA-N 433.596 5.644 30 10 IKEE COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OC(=O)c1c(C)cc(C)cc1C 40844598 QRCJGABRSQIMEH-UHFFFAOYSA-N 426.468 5.302 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OC(=O)c4ccc(F)cc4)cc(C)c3C2=O)c2ccccc21 41292160 MSXXGAAAPOSPQV-CFRMEGHHSA-N 441.458 5.944 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OC(=O)Cc4cccs4)ccc3C2=O)c2ccccc21 41354786 QYRBNVZEGMIWGS-FMCGGJTJSA-N 429.497 5.487 30 10 IKEE Cc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)c1 41355248 AYXISZWBTUIYHK-IWIPYMOSSA-N 426.512 6.436 30 10 IKEE CC[C@H](C)c1ccc(N/C(=N/C(=O)c2ccc(C(C)(C)C)cc2)NCc2ccncc2)cc1 45940373 ZWKLITMFTURPIY-FQEVSTJZSA-N 442.607 6.291 30 10 IKEE CCCCCCC[C@](O)(c1ccc(OCC)cc1)[C@H](CN1CCCCC1)c1ccccc1 49767082 UDPZQYXIOHNEEG-WDYNHAJCSA-N 437.668 6.903 30 10 IKEE CCCCCCCCC(=O)N1CCN(c2nc(C)nc(C)c2Cc2ccccc2F)CC1 98021297 AVSLVHUCXSIMBW-UHFFFAOYSA-N 440.607 5.223 30 10 IKEE CCCCCCCCCC(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc(F)cc2)cc1 98021313 BBFGQDJEHFMWER-RUZDIDTESA-N 442.600 6.684 30 10 IKEE CN1C/C(=C/c2ccc(Cl)cc2Cl)C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)C1 98064396 KWBRNOSZNAIKEZ-PYIQRHLKSA-N 427.158 6.282 30 10 IKEE CCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)OC)cc2Br)cc1 100159193 VSRXTLDHLBGRBC-UHFFFAOYSA-N 449.341 5.804 30 10 IKEE CCCCCCCOc1cccc(NC(=O)C(C)(C)CCCOc2cc(C)ccc2C)c1 100425267 LBOMELBODWWBCW-UHFFFAOYSA-N 439.640 7.477 30 10 IKEE CCCCCCCCc1c(C)nn(C(=O)CCC(=O)Nc2cccc(Cl)c2C)c1C 100458744 ADQGERVMNDFZRB-UHFFFAOYSA-N 432.008 6.424 30 10 IKEE CCCCCCCCCn1c(CNC(=O)COc2ccc(Cl)cc2)nc2ccccc21 102126423 MVVVOMIALLECHR-UHFFFAOYSA-N 442.003 6.136 30 10 IKEE CCCCCCCCCCCCn1c(CCNC(=O)[C@H]2CCCO2)nc2ccccc21 102137306 JJZUFJATVADHFN-XMMPIXPASA-N 427.633 5.795 30 10 IKEE COc1c(Cl)cc(/C=N\Nc2nc(-c3ccc(C)cc3C)cs2)c(OC)c1Cl 169941886 LEFVXEVLMSWRNP-AQHIEDMUSA-N 436.364 6.197 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2ccc(Cl)cc2)c1 169969758 HCIUTYLAIFOYOZ-NRFANRHFSA-N 448.862 5.340 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@H]1c1cccs1)c1ccc(Cl)cc1 169986253 UKDUFBYBJJAJJM-QFIPXVFZSA-N 445.927 6.338 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccccn2)cc1 169998916 HFJVFTNHRSLUIZ-NRFANRHFSA-N 441.512 5.037 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc2ccccc12)c1ccc(F)cc1 170045540 SGPOXXXEXRNYEG-HSZRJFAPSA-N 427.431 5.350 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1ccccc1)c1c[nH]c2ccccc12 170055067 CEQTZECPGXQYQX-XMMPIXPASA-N 440.474 5.128 30 10 IKEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccco2)cc1 170097067 DNAZKXPBIZRWGA-HSZRJFAPSA-N 431.488 5.074 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccc(O)cc2)c1 170132028 MAVKPKDCQMTJHA-RUZDIDTESA-N 435.479 5.637 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(OC(C)C)cc1 170151968 GTHOLAITRKKETE-HSZRJFAPSA-N 433.504 5.598 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2cccs2)cc1C 170160543 KCDJAIXGIGZQPQ-JOCHJYFZSA-N 449.528 5.170 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccs2)ccc1OC(C)C 170161621 PJDZWWMOESHPBD-HSZRJFAPSA-N 447.556 5.935 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@@H]1c1ccncc1 170210965 TYWQWDZSMVGMDB-QFIPXVFZSA-N 436.552 5.156 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2)cc1 170221810 HHKMPUOIWFXBHY-JOCHJYFZSA-N 433.529 5.314 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(Cl)c3)[C@H]2c2ccccc2)cc1 170228487 VYGOZPHJDCZHIB-OAQYLSRUSA-N 449.293 5.648 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccc(F)cc1 170243857 BTZHJFQAGGDKQS-QHCPKHFHSA-N 439.527 5.629 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@H]1c1ccc(CC)cc1 170267586 RVJTYDDKIQUQPD-RUZDIDTESA-N 449.591 6.150 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccco2)cc1C(C)C 170289967 WZQQQJIVNAUAFL-DEOSSOPVSA-N 445.515 5.893 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4)[C@H]3c3ccc(C)o3)oc12 170302948 SKZIIYNEJQMPBF-NRFANRHFSA-N 429.428 5.126 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccc(C)o2)cc1C 170304999 BCGNPORBCAZFCE-XMMPIXPASA-N 445.515 5.613 30 10 IKEE COc1cc(C=Nc2cccc3c(N=Cc4ccc(O)c(OC)c4)cccc23)ccc1O 252461291 LVVWFLKLTXIKCR-UHFFFAOYSA-N 426.472 5.769 30 10 IKEE CCC(C)(C)[C@H]1CCc2sc3ncnc(NN=Cc4c(Cl)cccc4Cl)c3c2C1 253810839 ZMUWKRLESJFUPP-ZDUSSCGKSA-N 447.435 6.985 30 10 IKEE CN(C)c1ccc(/C=C2\SC(=Nc3ccccc3)N(CCc3ccccc3)C2=O)cc1 254391894 CUIUOADXVJYRCI-VDJURDQESA-N 427.573 5.599 30 10 IKEE CCCCN1C(=O)/C(=C2/Sc3ccccc3N2CC)SC1=Nc1ccccc1OC 254594395 DKCQYUSNMOSDKC-JSYGVCDLSA-N 439.606 5.860 30 10 IKEE CCc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccc(C)cc2)cc1 526805789 SGWQBHYNEFXXSX-IMRQLAEWSA-N 426.589 5.914 30 10 IKEE CCn1c(C)c(/C=N\n2c(C)nnc2SCc2ccc(C(C)(C)C)cc2)c2ccccc21 526805949 SRNJXIWHMLQTRQ-YUMHPJSZSA-N 445.636 6.342 30 10 IKEE CCCOc1cc(/C=N\n2c(CCC)nnc2SCc2cccc(C)c2)ccc1OC 526808562 VQXHNMDIYPDEIM-XYGWBWBKSA-N 438.597 5.511 30 10 IKEE Cc1nnc(SCc2cccc3ccccc23)n1/N=C\c1c(Cl)cccc1Cl 526821566 ZCHVDLMKRBETST-MSXFZWOLSA-N 427.360 6.221 30 10 IKEE CC(C)(C)c1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 586261161 ODICCVSZUIVUHK-UHFFFAOYSA-N 438.980 5.905 30 10 IKEE COc1ccc(/C=C2\C[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]3(C)C2=O)c(OC)c1OC 606629794 IHDHMAPCNXWQRB-LHFLNOFSSA-N 448.559 5.537 30 10 IKEE CC(C)[C@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698908464 IDQYNZLZVYTRBX-VQTJNVASSA-N 437.625 5.635 30 10 IKEE N#C[C@H](C(=O)c1scc(Br)c1Br)c1ccc(F)cc1Cl 705468014 FLTBRQBOEJZZOM-QMMMGPOBSA-N 437.515 5.556 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H]1CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCC1 712372755 JHAFZBQOOHTQEX-FHAGJXEFSA-N 447.620 5.628 30 10 IKEE N#Cc1ccc(OCc2csc(COc3ccc(C4SCCS4)cc3)n2)cc1 1088740851 XLVPVJDIYQCELX-UHFFFAOYSA-N 426.588 5.651 30 10 IKEE Cc1c(Cl)cccc1NC(=O)[C@@]12CC[C@@](C)(C(=NOC(=O)c3ccccc3)C1)C2(C)C 1772722751 RVKPYANTJUSMNC-LOSJGSFVSA-N 438.955 6.016 30 10 IKEE O=C1/C(=C\c2c[nH]c3ccccc23)SC(=Nc2ccncc2Cl)N1c1ccccc1 1772739201 YVMCJRSBJBXZFM-RGXDOQKYSA-N 430.920 6.025 30 10 IKEE COc1cccc(/C=C2\SC(=Nc3nc(C)cs3)N(C3CCCCC3)C2=O)c1OC 1772740041 VXAGDQCCAJBGDK-IWNQXXOGSA-N 443.594 5.405 30 10 IKEE CCCCCCCSc1nc(Cl)c2c(-c3ccc(Cl)cc3)c(C)sc2n1 1857801277 YMNHOXSUSOZVAN-UHFFFAOYSA-N 425.450 8.036 30 10 IKEE CCCCCCCCCCn1cc(OCc2ccc(C(C)C)cc2)c(=O)cc1C(=O)O 1857891543 WLEPAXJRLZJNCE-UHFFFAOYSA-N 427.585 6.390 30 10 IKEE C=CCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](C)CCc1ccccc1 1860037018 PUPVYOQESDQSSI-HNNXBMFYSA-N 429.404 6.374 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc(F)c2)cc1 1862391196 VLWKXRHCLZNSME-DEOSSOPVSA-N 435.539 6.079 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc(F)cc2)cc1 1862391272 XEAUXZLCHXFASW-DVKBMCPXSA-N 449.566 6.325 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2c(Cl)cccc2Cl)cc1 1862393810 DNRCJJBPHDJVCH-NRFANRHFSA-N 444.358 6.077 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCc2ccccc2)cc1 1862431530 JFXWIBWHZZFYFF-DEOSSOPVSA-N 445.946 5.723 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccccc2C)cc1 1862443103 NHQLXRGBDSPBQX-XMMPIXPASA-N 445.946 5.778 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1cccc(F)c1)c1cccc(Cl)c1 1862445534 XZHHAVRQRRTUEB-IBGZPJMESA-N 427.884 5.319 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccccc1Cl 1862470087 FOBOOSSRMCMGKT-QGZVFWFLSA-N 434.717 5.089 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1Cl 1862482458 NTJCQCBWWILHPX-FQEVSTJZSA-N 432.347 6.070 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@H]1c1cccc(F)c1 1862517938 YTEFPDKQOQADQD-JOCHJYFZSA-N 425.500 5.383 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(N(C)C)cc1 1862583211 VQNYUTIRBNODCG-ZUOKHONESA-N 447.362 5.436 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(F)cc1F 1862595501 MYXPDHBIFJIIDJ-QFIPXVFZSA-N 443.490 5.609 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1c(F)cccc1Cl 1862644231 GRGUPEIZFWWGFK-NSPYISDASA-N 435.854 5.004 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(F)cc1F)c1ccc2ccccc2c1 1862712631 WBXKJACEEWJKRH-QHCPKHFHSA-N 433.454 5.639 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)c1 1862737033 RGHNANMKIJCHLJ-XUEUYAKLSA-N 434.492 5.060 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cccc4ccccc34)C2=O)c1 1863025704 BPTFLTJUWZEWSW-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE Cc1cc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1F 1863084952 OZEVLECPEKLBHG-UHFFFAOYSA-N 445.881 5.364 30 10 IKEE C=CCN1C(=O)C(Nc2cc(C)ccc2C)=C(c2ccc(OCc3ccccc3)cc2)C1=O 1863363905 WBWPTJLUHAGVNA-UHFFFAOYSA-N 438.527 5.260 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C(C)=O)c2)=C(c2cc(C)ccc2C)C1=O 1863399750 AODOMDXNMRUUIK-UHFFFAOYSA-N 446.591 6.059 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccccc3Cl)C2=O)c1 1863446885 KLUNJCDZTFFIPE-UHFFFAOYSA-N 441.918 5.221 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccncc2)=C(c2ccc(C)cc2)C1=O 1863620446 UBBFBDGSLCADDR-UHFFFAOYSA-N 433.596 5.400 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2Cl)C(=O)N([C@@H](C)c2ccccc2)C1=O 1863779237 JQULGKCVLCUTJL-IBGZPJMESA-N 438.999 6.131 30 10 IKEE CCCCCCCCCCNC(=O)c1ccccc1SCC(=O)NCC1CCCCC1 1868185109 WIQQJNISOPNZFQ-UHFFFAOYSA-N 446.701 6.346 30 10 IKEE Cc1cccc2cc3c(nc12)N(c1cc(Nc2cccc(C#N)c2)nc(C(C)(C)C)n1)CC3 1868332859 NSYFBTVMUGGGBW-UHFFFAOYSA-N 434.547 5.940 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](CCCC)NC(=O)C[C@@H](c1ccccc1)c1cccc(F)c1 1868722711 CLYPAOSHDWROMT-DQEYMECFSA-N 436.571 5.223 30 10 IKEE C=CCN(CC=C)c1cc(N(CCC)CCCN(C)C)nc(-c2ccc(Cl)cc2)n1 1869265096 RKMNFBIIPWBQAK-UHFFFAOYSA-N 428.024 5.144 30 10 IKEE CC(C)(C)c1ccc(-n2nnc(C#N)c2NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1 1870141497 UGEZSFXNFPGYRL-VZUCSPMQSA-N 440.334 5.395 30 10 IKEE CCSCc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCCCc1ccccc1 1870232592 AHIBDTPUFVMSSS-UHFFFAOYSA-N 432.589 5.575 30 10 IKEE CCCCCCCOc1cn(CCCOCCCC)c(CN2C[C@H](C)C[C@@H](C)C2)cc1=O 1870409224 MDJKVBAGMPEFQE-DNQXCXABSA-N 448.692 5.882 30 10 IKEE C=CCn1cc(OCc2cccc3ccccc23)c(=O)cc1CNc1ccc2cc[nH]c2c1 1870918873 UQDSSOGBQQSHKZ-UHFFFAOYSA-N 435.527 5.860 30 10 IKEE C#CCOc1cn(Cc2ccc(O)cc2)c(CNc2cc(C(C)C)cc(C(C)C)c2)cc1=O 1871008784 NOZRYQMEEULJEO-UHFFFAOYSA-N 444.575 5.473 30 10 IKEE COc1ccc([C@@H](C)N2COc3cc(C)c4c(c3C2)O/C(=C\c2ccccc2)C4=O)cc1 1871354650 WMBFHZBJPRGYKB-YNJLWJOVSA-N 427.500 5.533 30 10 IKEE COc1ccc2c(c1)c(/C=C1\Oc3cc(OC(=O)/C=C/c4ccco4)ccc3C1=O)cn2C 1871369300 DWQFFBVGKIGRQD-RVWHPDPQSA-N 441.439 5.015 30 10 IKEE CCCOc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1 1871388201 YWHJTCOOUDUSHO-IWIPYMOSSA-N 428.484 5.928 30 10 IKEE CC(C)(C)c1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCCc4ccccc43)C2=O)cc1 1871395533 VNZMGNVRFSTMNZ-ONUIUJJFSA-N 439.555 6.259 30 10 IKEE Cc1cccc(OCCCCOc2ccc3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)c1 1871403410 KNWIRBRISCFFOS-XYGWBWBKSA-N 445.471 5.757 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(O[C@H](C)C(=O)Nc3ccccc3Cl)cc(C)c2C1=O 1871403804 AMYDNKOVBZQMCR-SUVVMJBMSA-N 447.918 5.979 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OCCCOc4ccc(Cl)cc4)c3C)C2=O)c1 1871406438 VJSUBNZDSGUTOJ-JLPGSUDCSA-N 434.919 6.421 30 10 IKEE COc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1cccc(C)c1)C2=O 1871412265 PXBBXXNMBIVJNS-BEXDPUPVSA-N 443.499 5.334 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(O[C@H](C)C(=O)Nc3cccc(C)c3C)ccc2C1=O 1871413208 BWUUFKDTDCCFOF-LPANUZLBSA-N 427.500 5.634 30 10 IKEE Cc1c(OCCOc2ccc(C(C)(C)C)cc2)ccc2c1O/C(=C\c1cccc(F)c1)C2=O 1871414420 FYWFKVNLERUUIZ-UQQQWYQISA-N 446.518 6.506 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OCC(=O)Nc3ccc(C(C)C)cc3)c2C)C1=O 1871435340 GDGXQAYPEZVGOE-MYYYXRDXSA-N 441.527 6.061 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCc4ccc(C(=O)OC(C)C)o4)cc(C)c3C2=O)cc1 1871439416 YECSYWOMQYQIIO-CFRMEGHHSA-N 446.499 5.911 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2cccc(Cl)c2)C3=O)c1 1871454373 MIRJACBEFCZBJV-QRVIBDJDSA-N 447.918 5.899 30 10 IKEE Cc1ccc2oc(=O)cc(COc3ccc4c(c3C)O/C(=C\c3ccccc3F)C4=O)c2c1 1871460331 HIRKCRZHRGREID-MSXFZWOLSA-N 442.442 5.744 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)COc3cc(C)c(Cl)c(C)c3)n2)cc1C 1872765077 GOWUWAKFJHRJDX-GOSISDBHSA-N 440.952 5.653 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(Oc4ccccc4)c3)n2)cc1 1872768231 NDQJEOJJMKAAIL-QHCPKHFHSA-N 440.524 6.491 30 10 IKEE Cc1nc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(C(C)(C)C)cc4)cs3)cc2nc1C 1872772847 INZKJYZSYMXRQG-FQEVSTJZSA-N 440.572 6.158 30 10 IKEE N#C[C@H](C(=O)Cc1ccc(F)cc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872779815 RTFHXAKROUEDNS-JOCHJYFZSA-N 428.488 6.160 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccco2)=C(c2cccc(OC)c2)C1=O 1873041545 JGQXSBRRVIIEFN-UHFFFAOYSA-N 438.568 5.299 30 10 IKEE C=CCN1C(=O)C(NCCCCCCCCCC)=C(c2cccc(Cl)c2Cl)C1=O 1873127236 FXNZSEAWCVTXAH-UHFFFAOYSA-N 437.411 5.990 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(C)ccc2OCC)=C(c2cccnc2)C1=O 1873269199 OTFKWMFRDFILCK-UHFFFAOYSA-N 435.568 5.341 30 10 IKEE C=CCN1C(=O)C(Nc2cc(C)ccc2OCCC)=C(c2cc(Cl)ccc2Cl)C1=O 1873390340 HMGGRGICMTVQDA-UHFFFAOYSA-N 445.346 5.469 30 10 IKEE C=CCN(CC=C)c1nc(Nc2ccc(F)cc2Cl)c2cnn(-c3ccccc3)c2n1 1873481695 KQLZKGTUESCQFU-UHFFFAOYSA-N 434.906 5.530 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C)c2)cc2c(NCCCCc3ccccc3)ncnc21 1873619844 VDEJLGIFLAWKAS-UHFFFAOYSA-N 439.563 5.613 30 10 IKEE C=CCn1c(C(=O)Nc2ccccc2CC)cc2c(NCc3ccc(Cl)cc3)ncnc21 1873638048 UVUBVBIAHFLXOK-UHFFFAOYSA-N 445.954 5.698 30 10 IKEE C=CCn1c(C(=O)Nc2cc(Cl)cc(Cl)c2)cc2c(NCCCCCC)ncnc21 1873638628 CSKQEPOBQYBHGR-UHFFFAOYSA-N 446.382 6.169 30 10 IKEE CCCCCCCCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 1873886141 IRSOKDFFYSMYIW-RUZDIDTESA-N 438.656 6.348 30 10 IKEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3ccc(CCCC)cc3)c(=O)oc2c1 1873912536 KFCIXUXNVXHALL-UHFFFAOYSA-N 433.548 5.970 30 10 IKEE CCCSc1nnc(COc2ccc(OCC)cc2)n1/N=C/c1cccc2ccccc12 1874236646 SFNWIERFJKEQFY-YZSQISJMSA-N 446.576 5.793 30 10 IKEE Cc1cccc(OCCCc2nnc(SCc3ccccc3C)n2/N=C/c2ccc[nH]2)c1 1874245456 GEVASADKHPELOC-WPWMEQJKSA-N 445.592 5.409 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2)n1/N=C/c1c(F)cccc1Cl 1874317761 JWMPVDJLOQWDPS-BUVRLJJBSA-N 432.952 5.467 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccccc1F 1874361616 PAUCZBAPTRKMDI-LQKURTRISA-N 448.542 5.824 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccccc3Cl)n2/N=C/c2sccc2C)cc1 1874365093 KVFXZPLDYVGWOY-ZMOGYAJESA-N 439.009 6.451 30 10 IKEE Fc1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SCCc2ccccc2)cc1 1874376104 FRXZIYSTHXSJBP-WPWMEQJKSA-N 434.515 5.364 30 10 IKEE Cc1ccc(/C=N/n2c(COc3ccccc3)nnc2SCc2ccccc2F)cc1 1874384538 UZEFQAFUDKTLOL-CVKSISIWSA-N 432.524 5.479 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SC)cc1OCC 1874415463 QYYBDKKQHWZGAT-XIEYBQDHSA-N 438.597 5.441 30 10 IKEE Fc1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2ccccc2Cl)cc1 1874420718 AMNGLILXKIFCCY-FSJBWODESA-N 428.945 5.974 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccccc3F)nnc2-c2cccs2)cc1 1874422246 BTLNGGQEGRXIQO-ZVHZXABRSA-N 438.553 5.719 30 10 IKEE CCCCCCOc1ccc(/C=N/n2c(SCCC)nnc2C(C)(C)C)cc1OC 1874485010 ZHKQDWJINAVHRU-JJIBRWJFSA-N 432.634 5.928 30 10 IKEE Cc1ccccc1/C=N/n1c(CC(C)C)nnc1SCc1ccc(Cl)cc1Cl 1874492518 QQXQZDPIJQZXOV-WYMPLXKRSA-N 433.408 6.266 30 10 IKEE Sc1nnc(CC2CCCCC2)n1/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 1874560652 ITWSXGUJEKJISY-MFKUBSTISA-N 441.000 5.804 30 10 IKEE CCc1ccc(OCCCc2nnc(S)n2/N=C/c2c(OC)ccc3ccccc23)cc1 1874568042 DTUROJXITPAGBN-YZSQISJMSA-N 446.576 5.185 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2c(OCC(=O)N(CC)CC)ccc3ccccc23)cc1 1874578034 RPIMXGIBMLBWIZ-WUKNDPDISA-N 431.532 5.382 30 10 IKEE C=C(C)COc1ccc(Br)cc1/C=C/C(=O)c1ccc(Cl)c(Cl)c1 1874578857 KHMLIVREHWGWJP-QPJJXVBHSA-N 426.137 6.607 30 10 IKEE Cc1ccc(C)c(COc2ccc3ccccc3c2/C=C/C(=O)c2c(C)c(C)cc(C)c2C)c1 1874586755 CXSSPCOSMCNNSW-CCEZHUSRSA-N 448.606 8.165 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1)NC1CCCCC1 1874601673 WSKGPMRNNOFCAJ-DEDYPNTBSA-N 439.555 6.077 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OCc1ccc([N+](=O)[O-])cc1 1874603375 URRSVLSGAKYFPR-RIYZIHGNSA-N 443.499 5.957 30 10 IKEE C=C(C)COc1c(Br)cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC 1874610514 XDQOVQWPCICZOC-BJMVGYQFSA-N 446.297 5.607 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OCc1c(F)cccc1Cl 1874611588 MADRGOJLKJYVFT-UXBLZVDNSA-N 446.852 6.631 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(OC)c1OCc1cccc(F)c1 1874612657 GGMYZHKSTGNOJC-DHZHZOJOSA-N 438.445 6.316 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OCC(=O)Nc1cccc(C)c1 1874613220 IWTCGQPYLVLSRV-PKNBQFBNSA-N 435.907 5.571 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)c1OCc1cc(C)ccc1C 1874617291 UMRYIQAOXLZKFU-ZHACJKMWSA-N 434.963 7.057 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(OC)ccc2OC)ccc1OCc1cccc(F)c1 1874620871 XXRHGKBTFCXHSE-DHZHZOJOSA-N 436.479 5.717 30 10 IKEE C=CCOc1c(Cl)cc(/C=C/C(=O)c2ccc(OCC)cc2OCC)cc1OCC 1874632056 JAQDVBXQBHJSNZ-FMIVXFBMSA-N 430.928 5.997 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 1874693866 ACNLBMMROOHKBE-RQZCQDPDSA-N 442.555 6.670 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3cc(OC)ccc3OC)c2)cc1 1874694671 OPTWMSYNPAESQW-GXDHUFHOSA-N 430.500 5.310 30 10 IKEE COc1cccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(Cl)c(Cl)c3)c2)c1 1874694922 BETIPTBKXOTBLA-PKNBQFBNSA-N 441.310 6.046 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)[C@H](C)c3ccccc3)c2)cc1 1874695764 QQLXOLSTJUBDPU-IYYMRFBLSA-N 442.555 6.643 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCCOc3c(C)cccc3C)c2)cc1 1874697734 NARPVSVZEBMATR-SFQUDFHCSA-N 444.527 5.973 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCCOc3ccc(Cl)cc3)c2)c(C)c1 1874702445 QOUZWVMGRSSEQL-OQLLNIDSSA-N 448.946 6.618 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1OC(=O)c1cccc(C)c1 1874705953 ITVVLYUVLVXWRV-OQLLNIDSSA-N 428.528 6.416 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3cccc(C)c3C)c2)cc1F 1874706865 CVSSKGWOQJSXLD-ZRDIBKRKSA-N 434.463 5.332 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccccc2Br)c1)c1ccc(F)cc1 1874708692 POJUHSBXPZPANI-MDWZMJQESA-N 425.253 5.704 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(C)c(C)c3)c2)c(C)c1C 1874712450 XLOLSFXVNFJVCX-ACCUITESSA-N 428.528 5.973 30 10 IKEE CCc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3cc(Cl)cc(C)c3OC)c2)cc1 1874716457 SQRYYZAVLFTXLX-JLHYYAGUSA-N 434.919 6.335 30 10 IKEE C=CCN(CC=C)CCC(=O)c1ccc(OC(=O)COc2ccc(Cl)cc2Cl)cc1 1874744706 OZHIKXWYFHXFFX-UHFFFAOYSA-N 448.346 5.225 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(Br)c2)cc(OC)c1OC(=O)C1CC1 1875117037 GBINNVWTZNWPHS-DHZHZOJOSA-N 441.321 5.398 30 10 IKEE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2)cc1 1875123108 WAHGDBOXRGEIJW-LDCDQMDXSA-N 448.946 6.732 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3cc(F)ccc3F)c(Cl)c2)cc1 1875133539 ZNWZWSLUWQDGOL-ONNFQVAWSA-N 442.845 5.807 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)CCCSC 1875137755 CMVLQNNCDZTBBG-ZHACJKMWSA-N 428.550 5.265 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OC(=O)C(F)(F)F 1875148538 HFIFECOKQUFULK-BJMVGYQFSA-N 440.845 6.010 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)C(C)C)c([N+](=O)[O-])c1 1875166122 RDFZRVCFRAGGON-GQCTYLIASA-N 438.263 5.368 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OC(=O)C1CCC1 1875170437 XYAPPULWIIDYOF-OUKQBFOZSA-N 432.560 6.259 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)ccc1OC(=O)C1CCCC1 1875186142 GLTVGLAQWLLJTF-DHZHZOJOSA-N 428.912 5.739 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)cc1Cl 1875194268 JTFOZEVTOFTIAA-DHZHZOJOSA-N 432.900 5.358 30 10 IKEE O=C(Nc1ccc(SC(F)(F)F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1889870653 BHZLZBBSBRODHF-UHFFFAOYSA-N 433.295 6.588 30 10 IKEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)Nc3ccc(Br)cc3Cl)n[nH]2)c1C 1890620852 HDXXHHDOVAJMHK-UHFFFAOYSA-N 448.752 5.134 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cccc(Oc4ccccc4)c3)cc21 1891317313 MTQPEMIDMKAOOW-UHFFFAOYSA-N 442.515 5.669 30 10 IKEE C=C(COCc1ccccc1)[C@H](C=Cc1ccc(NC(=O)OC(C)(C)C)cc1)NCCC 1922074407 MSOIGNWZEBJMQQ-VWLOTQADSA-N 436.596 6.188 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1[C@@H]2CCC[C@@H]2CN1C(=O)OC(C)(C)C 1922113028 PPGOIBHWWVQDMH-MOUTVQLLSA-N 428.617 5.163 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CCC(C#N)(N(C(=O)OC(C)(C)C)c3ccccc3)CC2)C1 1923323648 SBQGCLUAMKZWPY-UHFFFAOYSA-N 441.572 5.502 30 10 IKEE Cc1cc(C#N)ccc1[C@](C)(CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 1952067169 BIHCHPTXURTWCU-MHZLTWQESA-N 440.499 5.095 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)C(C)(C)NC(=O)OC(C)(C)C)c1 2020516650 ASQLOXDTISEFDH-HSZRJFAPSA-N 433.549 5.022 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@@H](C#N)[C@@]1(C)CCCN1C(=O)OC(C)(C)C 2020805064 WYOZSKJKJABOHW-FDDCHVKYSA-N 449.979 5.763 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1c(Cl)cccc1Cl)c1ccccc1 2033814131 MAKMHXVMYDRISB-IBGZPJMESA-N 444.339 5.833 30 10 IKEE O=C(C=Cc1c(-c2ccccc2)c2c3n(c(-c4ccccc4)cn13)CCCC2)C(F)(F)F 2040465500 RHFHGBLEWWKYRX-UHFFFAOYSA-N 434.461 6.556 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@]1(O)CCC(C)(C)C[C@H]1OCc1ccccc1 2043836728 KHNZQMOELWGSMU-PBWSGDRGSA-N 437.624 5.264 30 10 IKEE Cc1ccccc1N=C1c2ccccc2C2=NC(=O)N[C@](c3ccccc3)(C(F)(F)F)N21 2059612046 QGYNENHHFQBMHD-QHCPKHFHSA-N 434.421 5.274 30 10 IKEE C#C[C@H](C)[C@H](NCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071346431 TUMYQXNLZMFWNE-YNOBPPCASA-N 429.560 5.125 30 10 IKEE C#CC[C@@H](C)C[C@@H](NCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2076084394 KLZAGRCFUXQOAG-YIXXDRMTSA-N 427.588 6.545 30 10 IKEE COc1ccc([C@@H](n2nc(C(F)(F)F)c(C#N)c2Br)C2(C)CC2)c(F)c1 2080070564 FAMQLNMGDCFKPT-CQSZACIVSA-N 432.215 5.073 30 10 IKEE N#Cc1c(-c2ccccc2)nn(Cc2ccc(C(F)(F)F)cc2Br)c1Cl 2080308174 QEDLZIPNNPHDRO-UHFFFAOYSA-N 440.650 5.905 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CC[C@H]2[C@@H](C1)C2(F)F 2090785848 UYMZCRFCCGDCQY-VEVIJQCQSA-N 427.289 5.518 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)C1(C#N)C[C@H]2CCCCC[C@@H]2C1 2153400511 RKBUEXXTNZIZMZ-IAGOWNOFSA-N 433.390 6.443 30 10 IKEE C#Cc1cccc(N(C)C(=O)c2cc(NC(=O)OC(C)(C)C)ccc2Br)c1 2180049602 UCRSEDHDPRACRX-UHFFFAOYSA-N 429.314 5.054 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)[C@H]1C[C@H]1C1CCCCC1 2200286076 ZHWHVOJEKXERBO-SLFFLAALSA-N 433.390 6.299 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(NC(=O)OC(C)(C)C)cc2)c(C)cc1Br 2201065973 VRSLPWNFAZUTIQ-UHFFFAOYSA-N 430.342 6.309 30 10 IKEE C=C([C@H](NC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)C(C)(C)C 2229117849 FGADKHQVDJMENJ-ROUUACIJSA-N 425.411 5.075 30 10 IKEE Cc1cc(NC(=O)OC(C)(C)C)cc(Oc2ncc(C)cc2B2OC(C)(C)C(C)(C)O2)c1 2232304999 BJEWCRUQQAKNNE-UHFFFAOYSA-N 440.349 5.137 30 10 IKEE CCC#CC[C@H](NCCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237424407 IKHHIHGUUDWDBS-VQTJNVASSA-N 437.422 5.057 30 10 IKEE CC(C)c1cc(Br)cc([C@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)c1 2241401760 MCJCVDXJDYKLCJ-NRFANRHFSA-N 443.385 6.574 30 10 IKEE C#CCCN(CCC)C(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2243919929 ZXZGFESXEUZIHT-AREMUKBSSA-N 446.591 5.202 30 10 IKEE CCN[C@@H](CC#CC1CCCC1)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2251481773 WKOOWROGVSYEQP-ZEQRLZLVSA-N 428.617 5.048 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@@H]2Nc2c(Br)cccc2C#N)C1 2285239921 JNJHZHQWHNAHTK-LAUBAEHRSA-N 434.378 5.302 30 10 IKEE C=C([C@H](OCCC(=O)O)c1cc(Br)c(Br)s1)[Si](C)(C)C 2292255942 IUIDIGZQHTUWFN-LBPRGKRZSA-N 442.245 5.239 30 10 IKEE CN1C(=C2SC(=NCc3ccccc3)N(c3ccc(O)cc3)C2=O)Sc2ccccc21 2295203927 YCTLPJOYWKAKGX-UHFFFAOYSA-N 445.569 5.439 30 10 IKEE CCN[C@@H](C#Cc1cccc(Br)c1)C[C@H](NC(=O)OC(C)(C)C)[C@H](C)CC 2296287213 UEIMTBDGBASIAT-UXPWSPDFSA-N 437.422 5.108 30 10 IKEE CC=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C#Cc1ccc(Br)cc1)NCCC 2296300641 KVJNUYJHFFIKJP-VQTJNVASSA-N 435.406 5.028 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(OCc3ccc(Br)cc3)cc2)SC1=S 2297559056 HXDMYYUKHZJCCI-UHFFFAOYSA-N 446.391 5.415 30 10 IKEE O=C(C=Cc1cccc([N+](=O)[O-])c1)c1ccc(C(=O)C=Cc2cccc([N+](=O)[O-])c2)cc1 2313538656 XWHZJYRQVLXHNM-UHFFFAOYSA-N 428.400 5.295 30 10 IKEE COc1cc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C2CC2)ccc1O 2320892242 XIXHMQVIANMXLS-UHFFFAOYSA-N 449.363 5.351 30 10 IKEE CCCc1nnc(SCc2ccccc2)n1N=Cc1ccc(OC(=O)c2ccco2)cc1 2321766866 ZHGHKSGPNFUETF-UHFFFAOYSA-N 446.532 5.217 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCc4c(F)c(F)c(F)c(F)c4F)c3C)C2=O)cc1 2321811077 OQHIXZNPANPKJQ-UHFFFAOYSA-N 446.371 6.194 30 10 IKEE O=C1C(=Cc2c(F)cccc2Cl)Oc2c1ccc1c2CN(CCc2ccccc2)CO1 2321937114 BNDMHRHAMWZMAA-UHFFFAOYSA-N 435.882 5.490 30 10 IKEE COc1cccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2c(C)cccc2C)c1 2322377482 SFRXRSCCJYLNNR-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2ccc([N+](=O)[O-])cc2)cc1C 2322416232 DUSNPVSPIVWECA-UHFFFAOYSA-N 433.460 5.396 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccccc2Cl)cc1 2322611824 XVFWAGKWFCRNOC-UHFFFAOYSA-N 441.354 7.257 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3ccccc3c2C=CC(=O)c2cc(C)ccc2C)cc1 2322617007 FRLFJYVBBXROOM-UHFFFAOYSA-N 449.550 6.679 30 10 IKEE Cc1c(OC(=O)c2cccs2)ccc2c1OC(=Cc1ccc(Br)cc1)C2=O 2322667676 XWZJYINUCMTJGC-UHFFFAOYSA-N 441.302 5.654 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccccc2OCC(=O)NC2CCCCC2)cc1C(C)C 2322788593 XXGHQXLRJMQGSR-UHFFFAOYSA-N 449.591 5.851 30 10 IKEE COc1cccc(C=CC(=O)c2cc(C)cc(C)c2OC)c1OCc1cc(C)ccc1C 2322856732 GQIVLQXUKBIDEN-UHFFFAOYSA-N 430.544 6.413 30 10 IKEE COc1cccc2cc(C(=O)Oc3ccc4c(c3C)OC(=Cc3sccc3C)C4=O)oc12 2322860570 SZEPXNXHNQYVOG-UHFFFAOYSA-N 446.480 5.955 30 10 IKEE C=C(C)COc1c(OC)ccc(C=CC(=O)c2ccc3c(c2)OCCO3)c1Br 2323178362 SJRWVWSGLYOICM-UHFFFAOYSA-N 445.309 5.080 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)cc1F 2323201966 MSNHOZMQFZBMPC-UHFFFAOYSA-N 437.423 5.226 30 10 IKEE CCOc1cc(C=NNc2nc(O)cc(-c3ccccc3)n2)cc(Cl)c1OCC(C)C 2323259683 PYFMTJQNOYBJKT-UHFFFAOYSA-N 440.931 5.382 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OCC(=O)NCc2ccccc2)c1 2323303258 CCPWKEYZKKDSOV-UHFFFAOYSA-N 441.571 5.884 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OCc1cccc(Cl)c1 2323404305 UIZFDDROYRQSAZ-UHFFFAOYSA-N 442.942 7.367 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OCc1ccccc1Cl 2323437752 VAOOWULIEFARSK-UHFFFAOYSA-N 432.947 6.703 30 10 IKEE Cc1cc(OC(=O)c2cc3ccccc3oc2=O)cc2c1C(=O)C(=Cc1ccc(F)cc1)O2 2323562361 HGSLJAYQGTVXLM-UHFFFAOYSA-N 442.398 5.076 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(CC)cc2)C3=O)CC1 2323652866 KPKAPOQYWGSLBT-UHFFFAOYSA-N 446.587 7.076 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1Cl 2323790261 DEHCMSZJEWQHOV-UHFFFAOYSA-N 440.326 6.215 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(N(C)C)cc2)C3=O)cc1 2323791865 TXHJCQLBURBWSC-UHFFFAOYSA-N 443.499 5.295 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 2323854396 VFRWBHHDJHGWFK-UHFFFAOYSA-N 447.487 5.704 30 10 IKEE CCOc1c(OC)cc(C=NNc2nc(-c3c(C)cc(C)cc3C)cs2)cc1OC 2323874575 ZAUJNJFDSZHEIB-UHFFFAOYSA-N 425.554 5.597 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1 2324055282 JBXMRZFVTMVLQP-UHFFFAOYSA-N 427.544 6.206 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OCC(=O)Nc1cccc(C)c1C 2324195052 VKABWYOTKQIWKP-UHFFFAOYSA-N 447.506 5.755 30 10 IKEE Cc1cc(OCCCOc2ccccc2)cc2c1C(=O)C(=Cc1ccc3c(c1)OCO3)O2 2324241299 RQOIFIGVPWGVTP-UHFFFAOYSA-N 430.456 5.188 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccc(C)cc4)cc(C)c3C2=O)cc1 2324375951 ROFZBSPDAKAZBU-IBGZPJMESA-N 427.500 5.634 30 10 IKEE Cc1c(O[C@H](C)C(=O)Nc2ccccc2Cl)ccc2c1OC(=Cc1ccccc1)C2=O 2324392576 VFPRBPWCKUHOBB-MRXNPFEDSA-N 433.891 5.671 30 10 IKEE CCOc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4)ccc3C2=O)cc1 2324400461 FYGJHLINEFHLJN-KRWDZBQOSA-N 429.472 5.108 30 10 IKEE COc1cccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccccc4C)ccc3C2=O)c1 2324406356 KXJARSLFIDEYED-QGZVFWFLSA-N 429.472 5.026 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3c(C)cccc3C)c(Cl)c2)cc1C 2324447180 INFJZSBSAKBUFH-UHFFFAOYSA-N 447.962 6.487 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)c(C)c1 2324494198 ATCITYMUMFEWPO-KRWDZBQOSA-N 447.918 5.979 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(C(C)C)cc3)n2)cc1 2324545723 XRNZFDWTYUCYQQ-HSZRJFAPSA-N 430.573 6.612 30 10 IKEE CC[C@H](C)Oc1ccc2c(c1)OC(=Cc1cc(Br)cc3c1OCOC3)C2=O 2324706468 MQFXSGPDLNXLBE-LBPRGKRZSA-N 431.282 5.109 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(O[C@H](C)C(=O)Nc4c(C)cccc4C)c3C)C2=O)o1 2325145519 OPSBKLHXEHUIBT-GOSISDBHSA-N 431.488 5.535 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2c(c1C)OC(=Cc1c(F)cccc1Cl)C2=O 2325198585 XDCFLGVNTJQJHI-UHFFFAOYSA-N 445.918 5.431 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccc(C(=O)O)cc2)c1 2325471562 YZFIWAPZLBZMLH-UHFFFAOYSA-N 442.544 5.050 30 10 IKEE O=C(COc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O)Nc1ccc(F)c(F)c1 2325517679 CFWSKTOFTWEWMV-UHFFFAOYSA-N 433.410 5.155 30 10 IKEE CCOc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc(F)cc3F)c2)cc1 2325726224 GJESUDIMGNJGCC-UHFFFAOYSA-N 438.426 5.244 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OC(=O)Cc1ccccc1F 2325750228 LNHKBJPXNWIVOG-UHFFFAOYSA-N 432.491 6.002 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cccc(OC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 2325757744 HWEHBWYIJQLLSR-UHFFFAOYSA-N 445.471 5.644 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1cc(OC)ccc1OC 2328179572 DPSNXLPOOLQKMD-UHFFFAOYSA-N 442.629 5.920 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc(OC)cc1OC 2329100570 USZNXOIJSWNDEO-UHFFFAOYSA-N 442.972 5.090 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3C)n2N=Cc2cccs2)cc1 2329465507 BQPTXCLIWOTJSA-UHFFFAOYSA-N 432.618 5.916 30 10 IKEE CCc1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2-c2ccccc2Cl)cc1 2329523349 LYXCTOVIPVKUEU-UHFFFAOYSA-N 447.007 6.644 30 10 IKEE COc1cccc(C=CC(=O)Nc2cccc3c(OC(=O)c4cccc(C#N)c4)cccc23)c1 2329660614 AGZQXJXBSZEKOP-UHFFFAOYSA-N 448.478 5.591 30 10 IKEE CC(C)c1ccc(C=CC(=O)[C@H]2C[C@@H](NC(=O)Nc3ccc(C(C)(C)C)cc3)CCN2)cc1 2329669011 QWNQCDOYCOTQDX-LOSJGSFVSA-N 447.623 5.632 30 10 IKEE CSc1nnc(COc2ccccc2)n1N=Cc1ccc(OCc2ccc(C)cc2)cc1 2329869224 SCWDHVYBSSWVAT-UHFFFAOYSA-N 444.560 5.349 30 10 IKEE Cc1ccccc1CSc1nnc(CC2CCCCC2)n1N=Cc1ccc(F)cc1F 2330232651 NPNCPKLTFVZBKF-UHFFFAOYSA-N 440.563 6.162 30 10 IKEE Fc1ccc(CSc2nnc(-c3cccs3)n2N=Cc2c[nH]c3ccccc23)cc1 2330539381 VQUZLPAIEQFIQC-UHFFFAOYSA-N 433.537 5.802 30 10 IKEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OC(=O)CC(C)(C)C 2330619565 LZVFVHVMGKLTRP-UHFFFAOYSA-N 431.872 5.495 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2ccccc2)nnc1-c1ccccc1 2330671336 AJIJVCFFHDZWNV-UHFFFAOYSA-N 426.545 5.684 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3cccc4ccccc34)c(Cl)c2)c1 2330778374 MYZJFFGTYIYHQQ-UHFFFAOYSA-N 442.898 6.617 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccc(F)cc1 2330824553 LDPCFPKZRDJIDT-UHFFFAOYSA-N 427.505 5.089 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1Cl)c1cccc(Cl)c1 2331092588 YTOOQOHGUKPMSK-UHFFFAOYSA-N 433.237 6.387 30 10 IKEE Cn1cc(C=Nn2c(SCc3ccc(F)cc3)nnc2C(F)(F)F)c2ccccc21 2331115895 JJONXBNQOSGMID-UHFFFAOYSA-N 433.434 5.102 30 10 IKEE COc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C(F)(F)F)cc1 2331146828 AQKWJMFMSRNGKE-UHFFFAOYSA-N 442.466 5.633 30 10 IKEE COc1ccc(OC)c(C=Nn2c(SCc3ccccc3C)nnc2-c2ccco2)c1 2331174353 YKMGFAIKETVELI-UHFFFAOYSA-N 434.521 5.038 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)[C@H]1C[C@H]1c1ccccc1Cl 2331293632 JIKLVTDFFZTCFZ-VXKWHMMOSA-N 446.930 6.262 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)cc3F)cc2)cc1 2331294236 GLDPUASRBPYFHI-UHFFFAOYSA-N 436.454 5.798 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2[N+](=O)[O-])cc1 2331322570 NBRYFDBOUFDRIC-UHFFFAOYSA-N 445.471 5.726 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3OC)cc2OC)cc1 2331376913 JJSZUKCXAVZSMN-UHFFFAOYSA-N 430.500 5.690 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)c(F)c3)c(OC)c2)cc1F 2331467610 KOTLAXLFFNKFRH-UHFFFAOYSA-N 442.389 5.236 30 10 IKEE CCOc1cccc(C=Nn2c(CC(C)C)nnc2SCc2c(F)cccc2Cl)c1 2331477368 LZYXKGRZLZIZFY-UHFFFAOYSA-N 446.979 5.842 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccco2)c(Cl)c1)c1ccc(Oc2ccccc2)cc1 2331594834 GXAABAVZOLAERR-UHFFFAOYSA-N 444.870 6.841 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)CSc2ccccc2)cc1 2331660207 UXUVGCGNHWUNQE-UHFFFAOYSA-N 432.541 5.906 30 10 IKEE C=CCSc1nnc(C(C)C)n1N=Cc1ccccc1OCc1ccccc1Cl 2331704835 NPYKZNOEJOYFNK-UHFFFAOYSA-N 426.973 5.794 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccco3)c(Br)c2)cc1C 2331706826 GYWQMEDTJZJLQN-UHFFFAOYSA-N 425.278 5.774 30 10 IKEE CC(C)c1cc(C(C)C)cc(-n2nnc(C#N)c2NC(=O)C=Cc2ccccc2Cl)c1 2332188471 CMATYTNBUYVNNB-UHFFFAOYSA-N 433.943 5.691 30 10 IKEE CC[C@@H](C)N(CCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2339586424 FTEKESATWDZZFM-GOSISDBHSA-N 446.397 5.141 30 10 IKEE CC1(C)CN(Cc2ccccc2)CCN(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2365050475 NUJMSXMHRVGKTK-UHFFFAOYSA-N 447.432 5.075 30 10 IKEE Cc1cc(Br)cc(C)c1OCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 1930445 CQKXKWRHXMCSBY-NSHDSACASA-N 433.371 5.141 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cn(C[C@@H](O)CN3CCc4ccccc43)c3ccccc23)cc1 8611811 SACYANIVAVEYTE-MIFWMJNYSA-N 436.555 5.269 30 10 IKEE C=CCn1c(SCc2cc(=O)oc3c(C)c(C)ccc23)nc2cc(Cl)ccc2c1=O 9085577 OPWNNFIVLZBTER-UHFFFAOYSA-N 438.936 5.251 30 10 IKEE COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(F)ccc2F)c1 20885526 AZYOXAYXKGRIQV-DXPJPUQTSA-N 432.470 5.953 30 10 IKEE CC(C)c1ccccc1NC(=O)CSc1nc(O)c(C#N)c(-c2ccc(Cl)cc2)n1 28616576 DBCFXSICCAXDFS-UHFFFAOYSA-N 438.940 5.228 30 10 IKEE Cc1ccc(N/C(=N\C(=O)c2ccccc2F)NCCc2c[nH]c3ccccc23)c(C)c1 32943085 PZMGVKWRGMXZJC-UHFFFAOYSA-N 428.511 5.364 30 10 IKEE C/C(=N\N(C)c1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1ccc(Cl)c(Cl)c1 33391062 XGEQYKKCOQNCMG-OCSSWDANSA-N 447.369 6.978 30 10 IKEE O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)c1ccc(-c2ccccc2Cl)o1 33567701 MVURGOZKZZURJN-FNORWQNLSA-N 443.713 8.063 30 10 IKEE O=C1/C(=N/N(c2ccccc2)c2ccccc2)c2ccccc2N1Cc1cccc([N+](=O)[O-])c1 59158382 PECXDARZTCAFFI-BYCLXTJYSA-N 448.482 5.684 30 10 IKEE Cc1cccc(CSc2nc3ccc(/N=C/c4ccc(Cl)cc4Cl)cc3s2)c1 59517198 HQPPCGAVCVJHNF-BRJLIKDPSA-N 443.424 7.954 30 10 IKEE CCCCCCn1c2ccccc2c2nnc(N/N=C/c3ccc(OC)c(OC)c3)nc21 64981342 ZMSUCGGWZWDAQG-PCLIKHOPSA-N 432.528 5.023 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1nc(-c2ccccc2)cs1 95740514 CSHQOPQWHVGQFQ-UHFFFAOYSA-N 442.713 9.010 30 10 IKEE C=CC/N=c1/scc(-c2ccc(-c3ccccc3)cc2)n1NC(=O)Nc1ccccc1 100060944 RTWIZDYABLYMER-OCEACIFDSA-N 426.545 5.746 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c(Cl)cccc1Cl)N2 100371049 XTSJLIXIXIFJGB-XHNVNVPESA-N 430.419 8.169 30 10 IKEE CCOc1ccc(C(=O)/C(=C/C=C\c2ccccc2OC)c2nc3ccccc3o2)cc1 102734715 UKKTUGDMLZWILI-IHESBTCNSA-N 425.484 6.215 30 10 IKEE CCOc1ccc(/N=C2\NC(=O)S\C2=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)cc1 110569024 YOPXWPGDGDDAAF-DEDYPNTBSA-N 434.473 5.571 30 10 IKEE C=CCNC(=S)N/N=C/c1ccc(OCCCCCCCCC)c(Br)c1 169883867 JYHMRRQIKBIPQC-XQNSMLJCSA-N 440.451 5.563 30 10 IKEE CCCCCCCOc1ccccc1[C@H]1NC(=S)N(C)C(C)=C1C(=O)c1ccccc1 169934981 BLWDJLORDMPLEW-XMMPIXPASA-N 436.621 6.054 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2cc(C)ccc2O)c1 169970878 JJERWHKRMUEDMZ-DEOSSOPVSA-N 439.467 5.538 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 170052339 VGYFKBIWCSQJEI-NRFANRHFSA-N 438.310 6.085 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2c[nH]c3ccccc23)c1 170074451 SINPAKLDHLYARA-QHCPKHFHSA-N 442.902 5.913 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccs1)c1ccc(Cl)c(Cl)c1 170163213 RXAUYGTVTSNYMG-GOSISDBHSA-N 445.327 5.228 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccn2)cc1C 170176370 GEDFGEOLSAYVOB-DEOSSOPVSA-N 442.515 5.270 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@@H]1c1ccc(OCC)cc1 170213956 VDNSDUYRFKSVDX-QHCPKHFHSA-N 437.536 5.206 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccccc1)c1ccc2ccccc2c1 170221862 JZGISZWEAPMQAW-QHCPKHFHSA-N 425.509 5.680 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@@H]1c1c[nH]c2ccccc12 170255882 AXGJTVGXTAEEPP-FQEVSTJZSA-N 438.911 5.127 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1ccc(CC)cc1 170268373 JQUFSUMNFKJYPN-VWLOTQADSA-N 449.591 6.113 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)cc4)[C@H]3c3ccc(C)o3)oc12 170299835 KBTKTTKYEFYRJK-NRFANRHFSA-N 447.418 5.265 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccc(C)o2)cc1OC 170299974 HEMTZJLTYFXIHE-HSZRJFAPSA-N 447.487 5.005 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(C)o1 170311064 TZHIUTNACDSMPM-LJQANCHMSA-N 429.900 5.079 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(Cl)cc(Cl)c2)[C@@H]1c1ccc(O)cc1)c1ccco1 170340165 RFJXFAUXQXHERF-GOSISDBHSA-N 430.243 5.075 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccc(C)c2)cc1Cl 170343123 ANKXHVRNQMYLBL-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(OCC(C)C)cc2)c1 170344635 LXUILZABGSVXBL-HSZRJFAPSA-N 447.556 5.874 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1cccc(OC(C)C)c1 170475809 DNACADUAQVUPHB-DEOSSOPVSA-N 439.527 5.166 30 10 IKEE CC(C)CCOC(=O)CSc1nnc(N/N=C/c2c3ccccc3cc3ccccc23)[nH]1 253572940 QUQGOCCBAOROGO-AFUMVMLFSA-N 447.564 5.239 30 10 IKEE CCOC(=O)c1ccc(NC(=O)c2c(N=Cc3ccc(OC)cc3)sc3c2CCC3)cc1 254305087 KUZGLUDFUVUONE-UHFFFAOYSA-N 448.544 5.425 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cccc(Br)c1F 407332272 ATOVJJHFJHOCID-SJLPKXTDSA-N 429.374 5.488 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1c(F)cccc1Cl 526814704 KPPORCCGUIVSEN-AQHIEDMUSA-N 443.762 6.114 30 10 IKEE CCCCOc1ccc(/C=N\n2c(C)nnc2SCc2ccc(C#N)cc2)cc1OCC 526821975 CAUKLQOKLKHTNB-QQXSKIMKSA-N 449.580 5.210 30 10 IKEE N#CCCCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccccc1Cl 586225851 MNSKRHIOJBPVHU-UHFFFAOYSA-N 440.952 5.418 30 10 IKEE COc1ccccc1N(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586252422 KEXXQGVMLBIPSZ-UHFFFAOYSA-N 434.561 5.260 30 10 IKEE C[C@@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)Nc1ccc(Br)c(C#N)c1 690216406 IQEJYFFTJPJOTE-YJBOKZPZSA-N 436.394 5.691 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCCC12CCOCC2 698498028 QUEGYAIHATXZPT-NRFANRHFSA-N 435.362 5.434 30 10 IKEE CN(C(=O)OC(C)(C)C)C(C)(C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 698889539 DGYWTVMSASSNLO-KRWDZBQOSA-N 437.968 5.619 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@H](C#N)c1ccc(Br)cc1Cl 710775612 FWHVIKUQFKQLDN-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C1 724088445 NMCVKBBOCQKDHR-OSPHWJPCSA-N 447.551 5.544 30 10 IKEE COC(=O)c1cccc(N=Cc2cccc(OC(=O)c3sc4ccccc4c3Cl)c2)c1 1084252542 PVDAMNVRAOQMAP-UHFFFAOYSA-N 449.915 6.311 30 10 IKEE O=C(Nc1cccc(Cl)c1)c1cccc(N=Cc2ccccc2OCc2ccccc2)c1 1084289714 DNDAJWIXHLGMFL-UHFFFAOYSA-N 440.930 6.922 30 10 IKEE COc1cc(C=Nc2sc3c(c2C(=O)Nc2ccccc2)CCCC3)ccc1OC(C)C 1084328764 RXTSFXWIALKMTC-UHFFFAOYSA-N 448.588 6.426 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)CCSc2n[nH]c(NN=C/C=C/c3ccccc3)n2)cc1 1084655487 CJZNKPPDMIVHKI-RYDOMXIJSA-N 448.596 5.550 30 10 IKEE NC1CCC(CC2CCC(/N=C(/Nc3ccc(Cl)cc3Cl)NC3CC3)CC2)CC1 1088735531 UWCYXMFFOAMFII-UHFFFAOYSA-N 437.459 5.980 30 10 IKEE CCCCCCCCCCN1C(=O)/C(=C\c2ccccc2C(F)(F)F)SC1=S 1858586450 JRLSQSLSGQVBAE-OBGWFSINSA-N 429.573 7.047 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc3c(OC(=O)Nc4ccc(F)cc4)cccc23)c1 1858780271 RSVOUEBFTYQYDF-UHFFFAOYSA-N 425.419 5.714 30 10 IKEE N#Cc1ccccc1NC(=O)c1nn(Cc2ccccc2F)c(-c2ccccc2)c1Cl 1859382715 NITGWWVAPSWUNO-UHFFFAOYSA-N 430.870 5.515 30 10 IKEE CC[C@@H](C)N(C(=O)c1cccc(C#N)c1)c1ccc(-c2nc3ccc(C)cc3s2)cc1 1859904011 GIVSYGDMCRVPTO-GOSISDBHSA-N 425.557 6.589 30 10 IKEE CC1CCC(N(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cn2)CC1 1859935050 LFXYRQVKZBTPCL-UHFFFAOYSA-N 448.382 6.484 30 10 IKEE CCCCCCCOc1cccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 1860110064 BDIFTOJJGQULNS-UHFFFAOYSA-N 447.419 7.326 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)Cc1ccc(OCCC)c(C)c1 1860980984 FWVLTLMHLNZCLL-DEOSSOPVSA-N 446.676 5.868 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 1861032716 VHSYXKWKCKIISA-QHCPKHFHSA-N 439.556 5.323 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)c1c(Cl)ccc(Cl)c1OC 1861143762 CRHABRPPMHPEED-GOSISDBHSA-N 445.431 5.767 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)c1c(Cl)ccc(Cl)c1Cl 1861144864 LPQQQCDHDFVMKL-KRWDZBQOSA-N 449.850 6.412 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1Cl 1862379734 JJJXTIIIRGLAFO-HXUWFJFHSA-N 439.298 5.167 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@H]2c2c(Cl)cccc2Cl)cc1 1862394872 RDKBOEKNRZEONJ-FQEVSTJZSA-N 432.347 5.934 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccccc1F 1862411963 SOHWPOSBLIFYJN-QFIPXVFZSA-N 445.481 6.043 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccc(OCc2ccccc2)c1 1862499423 HIACAMATBQAOCZ-VWLOTQADSA-N 441.527 5.481 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2cccc(OCC)c2)cc1 1862519581 NLOBXEZVIYWKQF-UZUQRXQVSA-N 437.536 5.251 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc(Br)c3)=C(O)C(=O)N2C2CCCC2)c1 1862523823 QAZAWLAPENAVAT-HXUWFJFHSA-N 440.337 5.278 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccccc1C(=O)O 1862616435 RLDIEPLXPUICRV-QFIPXVFZSA-N 449.547 5.451 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cccc(C)c1 1862625604 KPPYIKMRFBCRQN-GBXCKJPGSA-N 449.547 5.661 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCC(C)C)c1 1862654719 QLSKZGSHJFKCCG-VWLOTQADSA-N 443.543 5.863 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(O)cc2)cc1 1862662154 IQJKTLKPOCWJKQ-DEOSSOPVSA-N 433.548 5.817 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1 1862664371 IGAKVCLCHXOZNE-DEOSSOPVSA-N 434.580 5.073 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862666026 UDHSYIDWOZEZGL-JOCHJYFZSA-N 434.492 5.239 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862688278 UQZSDTCCLQFMDL-DEOSSOPVSA-N 445.490 5.175 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccccc3OC(C)C)C2=O)cc1 1862892384 LMBXRAPJLTWITO-UHFFFAOYSA-N 437.499 5.051 30 10 IKEE CCCCc1ccc(NC2=C(c3ccc(C)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862896385 LNOKVLUVZHHNEA-UHFFFAOYSA-N 435.527 5.606 30 10 IKEE Cc1cc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(C(C)C)cc3)C2=O)ccc1F 1863093631 YJOZAEWEZFUNSQ-UHFFFAOYSA-N 439.490 5.526 30 10 IKEE CCCCCCCCNC1=C(c2ccc(Br)cc2)C(=O)N([C@@H](C)CC)C1=O 1863558887 YZZXUWGILIWZRM-INIZCTEOSA-N 435.406 5.278 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC(C)C)=C(c2cc(Cl)ccc2Cl)C1=O 1863727631 XXSNDVHSMUDHDN-UHFFFAOYSA-N 439.427 6.212 30 10 IKEE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)Nc1scc(C(C)(C)C)c1C#N 1865739902 ASXJZIRPSNDWKC-UHFFFAOYSA-N 444.387 6.847 30 10 IKEE COc1cccc(-c2nc3cc(C(=O)Nc4scc(C(C)(C)C)c4C#N)ccc3o2)c1 1865786013 QHNXXOZIPIMEHR-UHFFFAOYSA-N 431.517 5.986 30 10 IKEE CCCCCCCCCCNC(=O)C[C@@H](c1ccc(F)cc1)c1ccc(OC)c(OC)c1 1868195903 BZUGJWBNEUYHFQ-DEOSSOPVSA-N 443.603 6.622 30 10 IKEE Cc1ccc(-c2nc(Nc3ccccc3C#N)cc(N(C)CC(C)(C)c3ccccc3)n2)cc1 1868326827 HMSXFHXAXMPNKT-UHFFFAOYSA-N 447.586 6.481 30 10 IKEE C=CCN(CC=C)c1cc(N2C[C@H](C)Cc3ccccc32)nc(-c2cccc(OC)c2)n1 1869307953 XAWUHCCOJJTOPV-HXUWFJFHSA-N 426.564 5.661 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccccc2F)cn1CCc1ccc(C)cc1 1870342477 WEWNJVKBHYKIIP-UHFFFAOYSA-N 446.566 5.292 30 10 IKEE CCCCCCCOc1cn(CCc2ccccc2)c(CNc2ccccc2CC)cc1=O 1870830444 OZGTUDQLJMNPNN-UHFFFAOYSA-N 446.635 6.615 30 10 IKEE C#CCOc1cn(CCCCCCCC)c(CNc2ccc(Br)cc2)cc1=O 1871007343 XPHYMKWIAGSQIE-UHFFFAOYSA-N 445.401 5.595 30 10 IKEE CCCCCCCCCCn1cc(OCCC)c(=O)cc1CNc1ccc2nc[nH]c2c1 1871106652 UCEGAHCIYOZKKM-UHFFFAOYSA-N 438.616 6.266 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc(C)c3C2=O)o1 1871372911 QWNJDXVDGVJDKZ-OCKHKDLRSA-N 439.807 5.293 30 10 IKEE Cc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2sccc2C)C3=O)cc1[N+](=O)[O-] 1871376203 YQMNRSZEQONCBB-ODLFYWEKSA-N 435.457 5.417 30 10 IKEE Cc1c(OC(=O)/C(Cl)=C/c2ccccc2)ccc2c1O/C(=C\c1cccc(F)c1)C2=O 1871377526 OVKRSSWWWOKQBK-JPOLKSPQSA-N 434.850 5.936 30 10 IKEE Cc1cc(OC(=O)COc2ccc(Cl)cc2)cc2c1C(=O)/C(=C/c1cccs1)O2 1871380901 IVFYEVPXNHIYBE-ODLFYWEKSA-N 426.877 5.311 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(OC)cc4OC)cc(C)c3C2=O)cc1 1871386748 LBYJSLUUCHNORS-CFRMEGHHSA-N 444.483 5.410 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2Cl)Oc2cc(OCCCOc3ccccc3)ccc21 1871397311 LPUHQPBDFOPQAZ-QRVIBDJDSA-N 441.310 6.458 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCCCc4ccccc4)cc(C)c3C2=O)c(OC)c1 1871399925 WLIAUYDRSDZVBL-MYYYXRDXSA-N 430.500 5.640 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O 1871403586 ZZHYQXZVBBLMFE-SNNLMFDCSA-N 445.490 5.719 30 10 IKEE C[C@H](Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O)C(=O)Nc1ccccc1 1871404012 GIWRSNVYDXNYSD-CRRPLPBISA-N 437.854 5.501 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(O[C@H](C)C(=O)Nc4ccccc4C)c3C)C2=O)cc1 1871409834 SPEHAOQULWMWMD-UFAQQFSPSA-N 441.527 5.888 30 10 IKEE COc1ccc(Br)cc1/C=C1\Oc2cc(OCC(=O)C(C)(C)C)ccc2C1=O 1871420239 WJVPCXQOAGCFTE-GRSHGNNSSA-N 445.309 5.068 30 10 IKEE Cc1cc(OCC(=O)Nc2cccc(Cl)c2C)cc2c1C(=O)/C(=C/c1cccs1)O2 1871427426 DGFWZCJFMURVLW-JAIQZWGSSA-N 439.920 5.652 30 10 IKEE COc1ccc(C)cc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccccc1C)C2=O 1871428528 GNFGQQKTTNBPST-CFRMEGHHSA-N 443.499 5.254 30 10 IKEE Cc1cc(OCC(=O)Nc2nc3ccccc3s2)cc2c1C(=O)/C(=C/c1cccs1)O2 1871442198 FAGIZBGGICEKHH-WQRHYEAKSA-N 448.525 5.300 30 10 IKEE N#C[C@@H](C(=O)Cc1ccccc1Cl)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872779789 RGUCLWUJBDZNSP-NRFANRHFSA-N 444.943 6.675 30 10 IKEE CCCCCCCCNC(=O)c1ccc(COc2c(F)c(F)c(F)c(F)c2F)cc1 1872864720 PNIYOWPBMPBQNC-UHFFFAOYSA-N 429.429 6.051 30 10 IKEE Cc1nc(SCc2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2)c(C#N)c(C)c1C 1872895525 ZFASQBCLVLBWTJ-UHFFFAOYSA-N 429.589 6.547 30 10 IKEE N#Cc1ccccc1NC1=C(c2ccc(-c3ccccc3)cc2)C(=O)N(C2CCCC2)C1=O 1873274491 BDERHCSRWVBTEN-UHFFFAOYSA-N 433.511 5.360 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C(C)C)cc2)=C(c2ccccc2C)C1=O 1873305675 PGYUEIYCBXOGPF-UHFFFAOYSA-N 432.608 6.671 30 10 IKEE CCOc1cc(/C=N/Nc2ccccc2Cl)ccc1OCc1ccc(Cl)cc1Cl 1873496273 KSTXXLSJGCVVET-LGJNPRDNSA-N 449.765 7.071 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1c[nH]c2ccc(OC)cc12 1873500217 KHKYAMRUTAEOCM-DHRITJCHSA-N 439.972 5.548 30 10 IKEE C=CCn1c(C(=O)Nc2ccccc2C(C)C)cc2c(NCc3ccccc3F)ncnc21 1873637165 QDUKWUBEOIZTKP-UHFFFAOYSA-N 443.526 5.744 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCCC)n1/N=C/c1c[nH]c2ccccc12 1874229189 XDMKSPXLJRDCDW-WGOQTCKBSA-N 447.564 5.288 30 10 IKEE CCOc1ccc(/C=N/n2c(COc3ccc(Cl)c(C)c3)nnc2SCC)cc1 1874230301 CKUQSYUMNGLBJX-YDZHTSKRSA-N 430.961 5.212 30 10 IKEE Cc1ccc(CSc2nnc(COc3c(C)cccc3C)n2/N=C/c2cccnc2)cc1 1874298599 JFPRUORSXDYXOC-JFLMPSFJSA-N 443.576 5.352 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2)cc1C 1874329922 HUNNHPXFKSLJBM-OVVQPSECSA-N 426.589 5.855 30 10 IKEE C=CCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc(OCCCC)cc1 1874342905 OPQGLNKJTLEFNW-KOEQRZSOSA-N 441.000 5.862 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2/N=C/c2ccccc2)cc1C 1874360364 CRSLXOHVSQDFIW-JVWAILMASA-N 447.007 6.314 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3F)n2/N=C/c2cccn2C)c1 1874375582 DBPHHUJYBFHJGH-CVKSISIWSA-N 433.556 5.138 30 10 IKEE CCCSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1cccc(Br)c1 1874399973 YTGUFVMHWXAKJF-WXUSHSQQSA-N 429.387 5.577 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(-c2cccs2)n1/N=C/c1ccncc1 1874425661 TUIDRHMBWTYCSK-FOKLQQMPSA-N 429.933 5.369 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2ccccc2)nnc1-c1ccccc1 1874428018 NCRQKMTWHVWLKP-NLRVBDNBSA-N 428.561 5.908 30 10 IKEE Clc1cccc(Cl)c1/C=N/n1c(SCCc2ccccc2)nnc1[C@@H]1CCCO1 1874448760 LFTFHJABFUCBLI-OEBVFIGYSA-N 447.391 5.653 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C2CCCC2)cc1 1874457707 CIVQFCWHUONKSJ-VULFUBBASA-N 442.991 6.465 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccccc3C)nnc2-c2ccco2)cc1OC 1874464324 CUVJHUGVDKTUEF-MFKUBSTISA-N 448.548 5.428 30 10 IKEE CCOc1c(/C=N/n2c(SCc3cccc(C)c3)nnc2-c2ccco2)cccc1OC 1874465638 SQPUDHGHHCXVRA-MFKUBSTISA-N 448.548 5.428 30 10 IKEE Cc1cccc(/C=N/n2c(CC(C)C)nnc2SCC(=O)Nc2ccc(C)c(C)c2)c1 1874488886 OEAWCWRASUQUEX-AFUMVMLFSA-N 435.597 5.015 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(CC(C)C)nnc2SCc2cccc(F)c2)cc1 1874489482 UWSKZZLYNKZTDS-WGOQTCKBSA-N 439.604 5.636 30 10 IKEE CCCSc1nnc(C2CCC2)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1874496501 PHOOCKIMOJCUEI-MFKUBSTISA-N 441.000 6.162 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1cccc2ccccc12 1874504649 XQHVJJMJFMUAOJ-CVKSISIWSA-N 447.539 5.136 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C/C(=O)c2ccccc2Cl)cc1 1874574887 KMAIIINVGNLVRY-XYOKQWHBSA-N 440.326 6.215 30 10 IKEE COC(=O)c1ccc(COc2ccc3ccccc3c2/C=C/C(=O)c2ccc(Cl)cc2)o1 1874577591 VYKMGCRFEUYFSO-OUKQBFOZSA-N 446.886 6.348 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C)cc2C)c1OCC(=O)N[C@@H](C)c1ccccc1 1874578796 HJFLDURZJCTUAF-OZIPEELISA-N 443.543 5.464 30 10 IKEE COc1cc(Br)cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c1OCCO 1874583163 ZSXZDJPPJOOOJW-JXMROGBWSA-N 433.342 5.022 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1OCc1ccccc1Cl 1874591281 CEVYCHXCFGTSLX-FMIVXFBMSA-N 447.745 7.131 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3c(C)cccc3C)c2)cc1F 1874597301 FHWWAVVDPVPPHX-ZRDIBKRKSA-N 433.479 5.365 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1C 1874601027 PAIDGXDXGDBMTC-ZRDIBKRKSA-N 443.543 5.842 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3F)c(Cl)c2)cc1OC 1874602905 GCYYXWAEMFETOJ-JXMROGBWSA-N 426.871 5.971 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OCc1ccc(C(=O)OC)o1 1874608388 LTMOBKRDFSRGQV-DHZHZOJOSA-N 440.879 5.593 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OCc2nc(O)c3ccccc3n2)c(Cl)c1 1874610173 FCTSSCLTQWXRTR-ZRDIBKRKSA-N 446.890 5.473 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OCC(=O)Nc1ccccc1 1874613785 NGCPROSHKLPKIT-FOCLMDBBSA-N 427.500 5.337 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OCc1cccc2ccccc12 1874619725 PFHWEWDVXKIFIP-WYMLVPIESA-N 438.523 6.641 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(OC)ccc2OC)ccc1OCc1ccc(F)cc1 1874620882 YNCCJTPIUDWRCZ-KPKJPENVSA-N 436.479 5.717 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccc(F)c(C)c3)c2)c1 1874694841 WQAXGEQQISZFQA-DHZHZOJOSA-N 434.463 5.196 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3cccc(OC)c3)c2)cc1 1874695977 BWFTVYLITQAEMA-SAPNQHFASA-N 444.527 5.918 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1cccc(/C=C/C(=O)c2ccc(F)cc2F)c1 1874699780 MXQLKRIOAZPUFH-WUXMJOGZSA-N 426.846 6.053 30 10 IKEE CCc1ccc(CCC(=O)Oc2cc(/C=C/C(=O)c3cc(C)ccc3C)ccc2OC)cc1 1874703649 ZVLUGTGEPFGHIX-NTCAYCPXSA-N 442.555 6.309 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OC(=O)CCCOc2ccccc2C)c1 1874704412 NOLGGMOZKCBZPF-CCEZHUSRSA-N 444.527 5.973 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1cccc(/C=C/C(=O)c2cccc3ccccc23)c1 1874708014 IMKXRURCUHHQCJ-WYMLVPIESA-N 442.898 6.617 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccncc2)c1 1874712465 XYTPCPFFEBXHJY-AATRIKPKSA-N 428.271 5.512 30 10 IKEE C=CCN(CC=C)CCC(=O)c1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1 1874723302 BHHSUQDVBHBGCX-UHFFFAOYSA-N 447.362 5.258 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)cc2F)cc1)c1ccc(Br)cc1 1875110174 YFMSBNPUEJHQBN-KGVSQERTSA-N 443.243 5.843 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Br)c2)ccc1OC(=O)C1CCCC1 1875115692 QEOYLIGHTGDWJL-ZRDIBKRKSA-N 443.337 5.840 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)c1sccc1C 1875120292 MBQAHCQDHDIREC-ZZXKWVIFSA-N 448.874 6.112 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC(=O)Cc1cc(C)ccc1C 1875121800 IJLMCOJFTSYKGC-ZRDIBKRKSA-N 448.946 6.400 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc(Cl)cc1 1875123043 UHBBEPZLQCSUHA-KGVSQERTSA-N 431.702 6.762 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)Cc1cccs1 1875123544 RMCPLXNZRFRNTQ-BQYQJAHWSA-N 447.339 6.108 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1 1875148940 QFJGDHCKICLZSP-WOJGMQOQSA-N 444.527 6.117 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1ccccc1F 1875157134 PBJDMLVFKOTAEZ-OQLLNIDSSA-N 432.491 6.463 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)cc3)cc2)cc1C(C)C 1875163462 LVLAAUWQXRNYTD-NTCAYCPXSA-N 442.555 6.480 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1cncc(C)c1 1875183509 FFBMDKQHKBUFDV-VQHVLOKHSA-N 429.516 5.829 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc(OC)c1OC(=O)C(C)C 1875194298 PFKFMCSNQBMXKC-CSKARUKUSA-N 428.912 5.543 30 10 IKEE CC1(C)OB([C@]23C[C@@H]2CCN(Cc2cc(Cl)ccc2Br)C3)OC1(C)C 1879794461 LWXXCKBHGCILGF-LIRRHRJNSA-N 426.591 5.161 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C(F)(F)[C@H](NC(=O)OC(C)(C)C)C1CC1 1922067558 CDXINOMFLWRYML-LEWJYISDSA-N 438.559 5.066 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2cc(C)cc(Br)c2F)c1 1927529565 YYYRMUOMNJPIQY-SFHVURJKSA-N 433.321 6.211 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 1943909053 BLJJQZSWXWYZHM-JPYJTQIMSA-N 433.524 5.297 30 10 IKEE CCCCCCCCCC[C@@H](O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1947481794 UKXUGYKMRXAKLI-BJKOFHAPSA-N 435.649 6.378 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CN(C(=O)OC(C)(C)C)C2(CCC2)C1 2038092030 KYUNHDPORQNXFP-VWLOTQADSA-N 441.572 5.562 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])C1(C#N)[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2 2048813117 HMWAPYBKWVBMJA-SFTDATJTSA-N 438.576 5.118 30 10 IKEE COC(=O)c1ccc(COc2ccccc2C=CC(=O)c2ccc(Cl)cc2Cl)cc1 2053611154 GGDNSPPZWFAFMK-UHFFFAOYSA-N 441.310 6.255 30 10 IKEE CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2067958516 SJCRREDOTVVNBU-YADARESESA-N 447.551 5.495 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1(C)C 2068177739 HNCGOVZCRWYFJY-VWLOTQADSA-N 449.636 6.018 30 10 IKEE C=C([C@@H](N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(C)(C)C 2071357962 SFFBQMBDFCOHNG-KAYWLYCHSA-N 431.576 5.808 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CN(C(=O)OC(C)(C)C)C12CCCC2 2072185835 QQFUGKCSRUAOOM-RUZDIDTESA-N 441.572 5.562 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(CC2CC2)C(=O)OC(C)(C)C)CC12CCCCC2 2074139252 QEUXONWSDDPBTK-RUZDIDTESA-N 447.620 5.630 30 10 IKEE CC(C)(C)[C@H](c1ccc(C(F)(F)F)cc1F)n1nc(C2CC2)c(C#N)c1Br 2079903755 JWGHKQFOZLPLTA-INIZCTEOSA-N 444.270 6.188 30 10 IKEE CCc1nn([C@H](c2ccc(C(F)(F)F)c(F)c2)C(C)(C)C)c(Br)c1C#N 2079950839 KNZVEKRGCMEWGH-OAHLLOKOSA-N 432.259 5.873 30 10 IKEE N#Cc1c(C2CC2)nn([C@@H](c2ccc(C(F)(F)F)c(F)c2)C2CC2)c1Br 2079983703 FSZSBSWWLXENNO-MRXNPFEDSA-N 428.227 5.552 30 10 IKEE CCOc1ccc([C@H](n2nc(C(C)(C)C)c(C=NO)c2Br)C2(C)CC2)cc1 2080106590 ALHAACSUQXRWNQ-SFHVURJKSA-N 434.378 5.539 30 10 IKEE CC(C)Oc1ccc([C@H](C2CCC2)n2nc(C3CCC3)c(C#N)c2Br)cc1 2080126687 QDECIBFSSUWMNN-NRFANRHFSA-N 428.374 5.961 30 10 IKEE N#Cc1c(C2CC2)nn2c(Cl)cc(-c3ccc(C(F)(F)F)c(Br)c3)nc12 2081399565 WHZXWRJLYIGEFA-UHFFFAOYSA-N 441.638 5.580 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCC)c2cccc(Br)c2Cl)C1 2081410245 YLSVMMQGEXAPQK-INIZCTEOSA-N 429.786 5.367 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2cc(Br)cc(F)c2C#N)CC1(C)C 2107449345 GZQVAIXJCMYOMX-CYBMUJFWSA-N 426.330 5.050 30 10 IKEE C=CCN(CC[C@H](Cc1cc(F)cc(Br)c1)NCCC)C(=O)OC(C)(C)C 2155517537 VSEXTBQEIZWIRW-LJQANCHMSA-N 443.401 5.312 30 10 IKEE COC1(C(F)(F)F)CC(C#N)(N(C(=O)OC(C)(C)C)c2cccc(Br)c2)C1 2156340955 ZWRXGKJJFQJQAG-UHFFFAOYSA-N 449.267 5.194 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(Nc2ccc(C#N)cc2Br)cc1 2162387427 MYDMCCALWVNPBW-QFBILLFUSA-N 428.330 5.445 30 10 IKEE CC(C)(C)OC(=O)NCC(C)(C)C1CCN(c2cccc(Br)c2C#N)CC1 2174807974 IQRZDJPNJXUKII-UHFFFAOYSA-N 436.394 5.088 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)CCN(C(=O)OC(C)(C)C)C(C)C 2235732893 SPVWCDJYMLTETD-LJQANCHMSA-N 437.422 5.204 30 10 IKEE C=CCCC1([C@H](NCCC)C(=C)COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2247410652 HALOHPPYMVKEHK-HSZRJFAPSA-N 428.617 5.331 30 10 IKEE CC#CCCCC[C@H](NCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248456702 TVKKRZDFUMMTCN-QHCPKHFHSA-N 428.617 5.002 30 10 IKEE CCN[C@H](C#CC1CCCCC1)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2251406972 KCXKJVLEHFKZJQ-HUVFLSCGSA-N 428.617 5.047 30 10 IKEE CC(C)(C)OC(=O)NCc1cccc(Cl)c1Nc1cc(Br)cc(C#N)c1 2269407589 AGUDXKYJYHOISL-UHFFFAOYSA-N 436.737 5.742 30 10 IKEE CN(CCN(CC[C@@H]1CCCC[C@@]1(C#N)NC1CC1)Cc1ccccc1)Cc1ccccc1 2273194026 JPMBHYYASPIHLU-YTMVLYRLSA-N 444.667 5.215 30 10 IKEE CC1(C)OB(c2cccc(NC(=O)Nc3cccc(OCc4ccccc4)c3)c2)OC1(C)C 2282744538 DCGLTPPHSAGNRP-UHFFFAOYSA-N 444.340 5.209 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 2297333533 HJWJEHRGWLNEIU-DEOSSOPVSA-N 440.455 5.086 30 10 IKEE CN1CC(=Cc2ccccc2Br)C(=O)C(=Cc2ccccc2Br)C1 2297334120 FAVOOEYXDNBGBH-UHFFFAOYSA-N 447.170 5.193 30 10 IKEE NCCCCCCC#Cc1sc(Br)c(Br)c1Br 2301103031 RIALIEPWDCJIDX-UHFFFAOYSA-N 444.030 5.296 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@H](C#N)[C@]12C[C@H](CCN1C(=O)OC(C)(C)C)C2 2306790835 WDSFVOCDOGBDAM-YJLYGGOZSA-N 433.593 5.238 30 10 IKEE O=C1NC(=Nc2cccc(Cl)c2Cl)SC1=Cc1ccc(-c2ccc(F)cc2)o1 2313541586 PJDDKCPEYFHWLP-UHFFFAOYSA-N 433.291 6.284 30 10 IKEE CCOC(=O)c1sc(NC(=O)C=Cc2cc(Cl)cc(Cl)c2OC)c(C#N)c1C 2313656999 JFFZBJHSAPMGJG-UHFFFAOYSA-N 439.320 5.072 30 10 IKEE CN1C(=O)C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=Nc1ccccn1 2314541081 DXADMNYEJSWZGF-UHFFFAOYSA-N 430.316 5.882 30 10 IKEE Cc1ccc(COc2cccc(C=C3SC(=Nc4cc(C)ccc4C)NC3=O)c2)cc1 2314557435 GJBRYTGXJXVFMP-UHFFFAOYSA-N 428.557 6.082 30 10 IKEE N#Cc1ccc(Sc2cc(I)ccc2Br)c(F)c1 2316384609 MVVJKXHCGBUKDG-UHFFFAOYSA-N 434.071 5.216 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(ccc(OCc4ccc(F)cc4)c3C)C2=O)cc1 2321802056 LCMOURZRCZPJRF-UHFFFAOYSA-N 431.507 6.176 30 10 IKEE CCCCC[C@H](CC)N1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(Cl)cc1)C3=O 2322072593 BTXZKESORLCAQB-FQEVSTJZSA-N 439.983 6.775 30 10 IKEE CCCCC[C@H](CC)N1COc2cc(C)c3c(c2C1)OC(=CC=Cc1ccccc1)C3=O 2322075775 DXXQAGCMIODBNJ-QFIPXVFZSA-N 431.576 6.678 30 10 IKEE Cc1cccc(CN2COc3ccc4c(c3C2)OC(=Cc2cn(C)c3ccccc23)C4=O)c1 2322217908 VIZSGNKXIQADRY-UHFFFAOYSA-N 436.511 5.455 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OC(=O)c4ccc(C)c(C)c4)c3C)C2=O)c1OC 2323247962 KNHWUMCXWDZUSE-UHFFFAOYSA-N 444.483 5.464 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc(C)c2C1=O 2323303085 GLUTYHHHLLZXMJ-UHFFFAOYSA-N 449.846 5.700 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1OC 2323438194 DDDYSNKYJUFOMB-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc(C)cc3)c(Br)c2)cc1 2323630936 HEKJVOMEURAXQR-UHFFFAOYSA-N 437.333 6.241 30 10 IKEE COc1cc(C=NNc2nc(-c3cccs3)c(C)s2)ccc1OCc1ccc(C)cc1 2323840000 YLXAWYDAFMXAIU-UHFFFAOYSA-N 449.601 6.522 30 10 IKEE C=CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C)cc2)C3=O)c1 2323854624 FMGDLINHHSIUEI-UHFFFAOYSA-N 426.468 5.704 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OCc1cc(C)ccc1C 2324009821 BSECPTIDOXSGER-UHFFFAOYSA-N 430.544 6.494 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)cc(Cl)c1OCCc1ccccc1 2324124794 NOONPRJCWCVSMY-UHFFFAOYSA-N 442.942 7.019 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2C)C3=O)cc1 2324492580 NLEQUYDOQMNSHS-LJQANCHMSA-N 441.527 5.888 30 10 IKEE CC(C)c1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 2324606030 MDTGSSCJOSMGMH-HXUWFJFHSA-N 430.529 5.594 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)cc1Cl 2324608469 WIHULNLGVQGNCG-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(OCCOc4ccc(OC)cc4)c3C)C2=O)cc1 2324683557 XBTMUAVVXCWSAP-UHFFFAOYSA-N 446.499 5.476 30 10 IKEE CCCOc1ccc(C=Nn2c(C)nnc2SCc2cc(C)cc(C)c2)cc1OCC 2324966928 BMUATTCSFWOKIH-UHFFFAOYSA-N 438.597 5.565 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(O[C@H](C)C(=O)Nc4ccc(C#N)cc4)c3C)C2=O)c1 2325306973 WBBWWACOLUMSRS-GOSISDBHSA-N 438.483 5.197 30 10 IKEE Cc1c(OCc2ccc(C(=O)OC(C)C)o2)ccc2c1OC(=Cc1ccc(F)cc1)C2=O 2325387914 VUPZEUMNFWPNDP-UHFFFAOYSA-N 436.435 5.488 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1N=Cc1cccc(OCCC)c1 2325528859 ZHEBZPZKIDLBNC-UHFFFAOYSA-N 443.016 6.237 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3[nH]c4ccc(C)cc4c3C)c2)cc1 2325719658 JXHJMSPQVCDUAO-UHFFFAOYSA-N 425.484 5.909 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)c2)cc1 2325719726 ZMFBJBGQUGGRJR-XZOQPEGZSA-N 432.903 5.954 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cc4ccccc4n3C)c2)cc1 2325735123 QOETXGMCLFMBFH-UHFFFAOYSA-N 425.484 5.692 30 10 IKEE COc1ccc(CCC(=O)Oc2cccc(C=CC(=O)c3ccc(C(C)C)cc3)c2)cc1 2325750801 OCKJHHSBRMARAP-UHFFFAOYSA-N 428.528 6.253 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)CC3CCCCC3)c2)c(OC)c1OC 2325786287 SYCHBDAFYWTFLR-UHFFFAOYSA-N 438.520 5.484 30 10 IKEE C=CCSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1cccc(O)c1 2325884109 RNWZVACQCYXTFK-UHFFFAOYSA-N 444.560 5.309 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(OC(C)C)c(Cl)c1 2326350298 USBQMCOHVYEDNB-UHFFFAOYSA-N 435.380 5.855 30 10 IKEE Cc1ccc(CSc2nncn2N=Cc2cc(Cl)c(OC(C)C)c(Cl)c2)c(C)c1 2326432506 MYVSZFSFTPTPJZ-UHFFFAOYSA-N 449.407 6.163 30 10 IKEE CCCc1nnc(SCc2ccc(Br)cc2)n1N=Cc1cccc(Cl)c1 2326621021 SDHKTLVRPFITJO-UHFFFAOYSA-N 449.805 5.821 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2Cl)n1N=Cc1cccc(Cl)c1 2327956831 YBRGUXVHHNUJLA-UHFFFAOYSA-N 431.392 5.921 30 10 IKEE Clc1ccc(CSc2nnc(CCOc3ccccc3)n2N=Cc2ccncc2)cc1 2329210027 YVDMOHSWSPUROA-UHFFFAOYSA-N 449.967 5.123 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)C=Cc1ccc([N+](=O)[O-])cc1 2330576088 YBXIDMIMICJFGG-JOCHJYFZSA-N 431.577 5.150 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc(Cl)c2)c(Cl)c1)c1ccc2ccccc2c1 2330663133 LRDCYDKSQYRGDD-UHFFFAOYSA-N 447.317 7.262 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OC(=O)Cc1ccc(C)cc1 2330674903 HXVPSVAWQBAOIZ-UHFFFAOYSA-N 436.507 6.201 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(OC)c2)cc(Cl)c1OC(=O)C(C)(C)C 2330726918 IJWYPSCFYJLMNX-UHFFFAOYSA-N 446.927 5.604 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3cccc(OC)c3)c(Cl)c2)cc1 2330747561 FDKCEBWZHDCIND-UHFFFAOYSA-N 448.946 6.345 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(C=CC(=O)c3cccc(OC)c3)cc2OC)c1 2330800213 DWSLMOJCCCMSFG-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2)ccc1OC(=O)[C@H](C)c1ccccc1 2330874531 PIUSKZWOQLRMMD-HXUWFJFHSA-N 444.527 6.008 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2[C@@H]2CCCO2)cc1 2330929399 IVECGXUMXVZCRU-QFIPXVFZSA-N 436.581 5.401 30 10 IKEE FC(F)(F)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccncc1 2331154833 NXKTZNURYBQOQQ-UHFFFAOYSA-N 432.258 5.173 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(OCC)cc2)cc1OCC 2331202052 YMCJNFMDQRKWNR-UHFFFAOYSA-N 430.928 6.129 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2[N+](=O)[O-])cc1 2331225524 INAMWIBAZKVKJR-UHFFFAOYSA-N 445.471 5.726 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3-c3ccccc3)cc2)ccc1F 2331333032 NSDFCNRVVOLYKS-UHFFFAOYSA-N 436.482 6.916 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccccc2-c2ccccc2)cc1 2331352347 LDCAXTGFIOZRMN-UHFFFAOYSA-N 448.518 6.786 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2cc(OCC)ccc2OCC)cc1OC 2331673655 MQDABZXNSTTZSU-UHFFFAOYSA-N 446.927 5.748 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)cc1C 2331704877 RZUBHSAPWZGFKX-UHFFFAOYSA-N 428.572 6.711 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3Cl)c(Cl)c2)cc1C 2331705858 VYPWHAWZJODIJN-UHFFFAOYSA-N 425.311 6.726 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)c1cccc(C)c1 2331802460 UWBBOCLLWGCMIA-UHFFFAOYSA-N 442.555 6.725 30 10 IKEE C[C@H]1CCc2c(sc(NC(=O)COc3ccc(Cl)cc3Br)c2C#N)C1 1984357 QQIGYFPJQUFMKG-JTQLQIEISA-N 439.762 5.178 30 10 IKEE O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)Oc2cc(OCc3ccc(Cl)c(Cl)c3)ccc21 2377615 CHKJOJMHQCIEMY-FBHDLOMBSA-N 442.254 6.097 30 10 IKEE CC(C)CCSc1nnc(N/N=C/c2ccccc2OCc2ccccc2Cl)[nH]1 21083250 YGQDIXBCXDYKTN-YDZHTSKRSA-N 429.977 5.621 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O3)CN(Cc1ccc(F)cc1)CO2 41648367 PNIKADOFDJETAQ-JJFYIABZSA-N 446.434 5.011 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccccc3Cl)n2)cc1 59015110 VCJKOBJAUDBIKU-XMTZNVEYSA-N 442.976 5.148 30 10 IKEE C=CCCC(=O)Nc1ccc2nc(SCc3ccc(Br)cc3)sc2c1 59721051 ATRSBDRDBVGGOR-UHFFFAOYSA-N 433.396 6.256 30 10 IKEE CCCn1c(=O)c(C(=O)/C=C\c2ccccc2)c(-c2ccccc2)c2cc(Cl)ccc21 96265918 LXGVUNIFUCHRLA-SSZFMOIBSA-N 427.931 6.628 30 10 IKEE COc1ccc(Oc2ccc(/C=C\C(=O)c3ccc(OC)cc3OC)cc2[N+](=O)[O-])cc1 97992933 KUBBNCXFWHQVPJ-QCDXTXTGSA-N 435.432 5.309 30 10 IKEE CCCCCCCOc1cccc(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)c1 100434631 LTBLDUOXNVOAQF-UHFFFAOYSA-N 428.642 6.065 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1ccc(C(=O)OCCC)cc1 100443380 OCUNFEXUZDEQBV-UHFFFAOYSA-N 448.673 6.768 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1ccc(C(=O)NC(C)C)cc1 100444274 OJPKZPMQLMIFRC-UHFFFAOYSA-N 447.689 6.339 30 10 IKEE O=C(/C=C\Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)cc1Cl 101956254 CHZLDNRUXDPLCO-ARJAWSKDSA-N 428.159 6.840 30 10 IKEE CCCCCCCCCCCn1c(CNC(=O)c2ccc(OC)cc2)nc2ccccc21 102220096 KLVBLMWJSLWKTN-UHFFFAOYSA-N 435.612 6.506 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)/C(=C(\O)c4ccc(C)o4)[C@@H]3c3ccc(C)o3)sc2c1 102693931 FBLPMMQKFOSGMI-LCPUNJGISA-N 448.500 5.288 30 10 IKEE CCCCCCOC1=CC(=O)/C(=C2/N=C(c3ccccc3)N=C(c3ccccc3)N2)C=C1 103656117 IZBALBWMCYVJSI-UHFFFAOYSA-N 425.532 5.315 30 10 IKEE CC(C)(C)/N=C1/[C@@H](N2CCCCC2)C(C)(C)C(=S)N1c1cccc(C(F)(F)F)c1 105421525 XQBATRZSDFTKDC-XUOUEFSESA-N 425.564 5.931 30 10 IKEE CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N/c1ccc(N(CC)CC)cc1 105879724 UNEJTHSEQQPIHS-VHPLVOQASA-N 438.622 5.527 30 10 IKEE Oc1ccc2cc(Br)ccc2c1/C=N\n1c(S)nnc1C1CCCCC1 169910049 GCZXNVDCXWCZOG-NHDPSOOVSA-N 431.359 5.118 30 10 IKEE CCOc1ccc(/C=N\Nc2nc(-c3ccc(OC)cc3OC)cs2)c(OCC)c1 169943103 ULAPLTHEZZOLOB-QRVIBDJDSA-N 427.526 5.071 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2cccc(C)c2)c(C)c1 169971148 QZRGKJRUADKGTB-QHCPKHFHSA-N 449.453 5.373 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@H]2c2ccccn2)cc1C 169995878 WUISSFLUILMFHF-VWLOTQADSA-N 434.495 5.635 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(C)o2)c1 170102550 BVLSKMDBORICNJ-OAQYLSRUSA-N 437.879 5.029 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2sccc2C)c1 170104952 OXGBQRGCVQXCGA-NRFANRHFSA-N 449.528 5.165 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1ccc(N(C)C)cc1 170129001 XLNXMEQTOOQGFB-DEOSSOPVSA-N 448.607 5.737 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(N(C)C)cc1 170129575 WUVSRTIZQQSQQG-RUZDIDTESA-N 442.559 5.674 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(O)cc1)c1ccc2c(c1)CCCC2 170132693 NYOREYSKWJLHKO-DEOSSOPVSA-N 425.484 5.054 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1ccc(O)cc1 170137509 VYUKXXOPWUPGAB-HSZRJFAPSA-N 435.564 5.767 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2cccs2)c1 170153732 MLIJQMHAGMQBEB-NRFANRHFSA-N 430.485 5.021 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2cccs2)c(OC)c1 170158752 IZGVKJQDZIBRKA-QFIPXVFZSA-N 449.528 5.165 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2cccnc2)c1 170190440 HSMQRJHQOLCHSG-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccccc1)c1cc2cc(Cl)ccc2o1 170231297 PLKILSMXTQQIAI-JOCHJYFZSA-N 444.874 5.260 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccccc1)c1ccc2c(c1)CCCC2 170234243 FSYHPSYAGMRVGP-VWLOTQADSA-N 441.502 5.483 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2C)ccc1OCC(C)C 170278521 IKZWKTJZMVBNRY-VWLOTQADSA-N 447.575 5.859 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccco2)c1 170282788 UQRHGMJEGWVTJZ-WAIKUNEKSA-N 429.472 5.003 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1ccco1 170288095 NRYYTNWQAXREPH-OAQYLSRUSA-N 449.846 5.471 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1sccc1C 170314835 QXTZGHLFNIOVSE-FQEVSTJZSA-N 433.529 5.465 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@H]1c1sccc1C 170315603 OACROMNTBLEFIG-NRFANRHFSA-N 431.513 5.083 30 10 IKEE CC(=O)Oc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)c(C)c2)c1 170408328 PUHKTLOADRCWLH-XMMPIXPASA-N 441.483 5.012 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(Cl)cc2)cc1O 170409099 IAINEEOSYGAQBK-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE Cc1[nH]c2ccccc2c1[C@@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1Cc1ccc(F)cc1 170424860 DPGBPNAAPAMQMI-XMMPIXPASA-N 440.474 5.394 30 10 IKEE COc1cccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2Cc2cccc(C(F)(F)F)c2)c1 170431520 FGRGCGJRXKLJIW-LJQANCHMSA-N 447.453 5.225 30 10 IKEE Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@H]3c3ccc(N(C)C)cc3)sc2c1 170447109 PILXRUUMCFYGFT-JOCHJYFZSA-N 449.576 5.186 30 10 IKEE COc1ccc(/C=N\N=C2/S/C(=C\c3ccccc3C)C(=O)N2Cc2ccco2)cc1 210532742 KSBDLNSVEQVEEV-DOSRWIIRSA-N 431.517 5.103 30 10 IKEE CSc1nc(Nc2ccc(Cl)c([N+](=O)[O-])c2)c(C#N)c(-c2cccc(Cl)c2)n1 244034916 SVEJKFLNBSTZKP-UHFFFAOYSA-N 432.292 5.696 30 10 IKEE C[C@@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@]43C)[C@@H]1CC/C2=N\N=C\C=C\c1ccc([N+](=O)[O-])cc1 253572268 PZDUXRAQOKZFJJ-KCXIKZTNSA-N 447.623 7.468 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)SC1=Nc1ccc(C)c(C)c1 254615560 OVQFSPIYGSAIGZ-OTGOLFGCSA-N 446.528 5.886 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccs2)c1 526490108 ZLEDRZJGDKLKIV-HSZRJFAPSA-N 430.529 5.856 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(O)cc2)cc1Cl 526490893 JYRKXTCJLIRJMI-QHCPKHFHSA-N 446.890 5.373 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2ccc(Cl)cc2Cl)[C@@H]1c1cccc(O)c1 526608211 GVSDLKQOHBCCTD-NRFANRHFSA-N 437.282 5.628 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Cl)cc2)cc1 526710667 QZJLZHJKTNCDSJ-HSZRJFAPSA-N 447.918 5.912 30 10 IKEE Cc1cccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccccc2F)c1 526803734 KOQZOBIUHDAYNZ-PKAZHMFMSA-N 430.552 5.685 30 10 IKEE CCCCCOc1ccc(/C=N\n2cnnc2SCc2c(F)cccc2Cl)cc1 526817696 VWBUMZVDCLEKKF-MXAYSNPKSA-N 432.952 5.814 30 10 IKEE CCN(CC)c1ccc(/C=N\n2cnnc2SCc2ccc(Cl)cc2Cl)cc1 526823406 KBAZELUFVGFNMK-MSXFZWOLSA-N 434.396 5.606 30 10 IKEE C[C@H]1c2ccccc2C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 698968581 YOBJYYJPQAMOQJ-NYHFZMIOSA-N 427.342 5.813 30 10 IKEE CC(=NO[C@@H](c1ccc(/C=C/c2ccc3ccccc3n2)cc1)C1CCCCC1)C(=O)O 725398761 NEANPAYVJXQOKF-AMQXVUALSA-N 428.532 6.504 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=Nc1ccc(O)cc1C(=O)O 1772760827 BFOYLUVLRWXRTR-FFJDBXNVSA-N 449.315 5.187 30 10 IKEE CCCCCCCCCOc1cccnc1NC(=O)CCc1ccc(OC)c(OC)c1 1858750348 XHBCKVFVMOTBFT-UHFFFAOYSA-N 428.573 5.800 30 10 IKEE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ncccc1OCc1cccc(C#N)c1 1858754242 LLSFJVUEEQPCHG-CQSZACIVSA-N 442.302 5.245 30 10 IKEE COc1ccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)nn2-c2ccc(Cl)cc2)cc1 1859400747 GHXHJFVRJDXOCX-UHFFFAOYSA-N 428.879 5.325 30 10 IKEE N#Cc1ccc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n(-c3ccc(Cl)cc3)n2)cc1 1859411224 UULIACBUBLIGRM-UHFFFAOYSA-N 443.850 5.225 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1 1861059842 PABYLPYVSOEJEL-DEOSSOPVSA-N 443.031 5.938 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2cccc3ccccc23)cc1 1862397795 SLUDHPFOTNCHLP-VWLOTQADSA-N 443.543 5.407 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccccc1F)c1ccc(F)cc1F 1862411235 CCMSGZZWNYVEQQ-OAQYLSRUSA-N 429.438 5.405 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@@H]2c2ccccc2F)cc1 1862411713 NLFLDBNYFZJNOY-QFIPXVFZSA-N 437.417 5.191 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1F 1862416124 CWQCZPVBHKOJNG-NRFANRHFSA-N 445.893 5.919 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CC2)cc1 1862423271 YGWWNXCTQOVLSF-QFIPXVFZSA-N 441.474 5.275 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccc(F)cc2)c1 1862429739 UBGTZMJHYBPCEE-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccco2)cc1 1862432902 POKYOBMQHLZNRG-JOCHJYFZSA-N 435.907 5.835 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccccc2C)cc1 1862443606 RGRFICXNCBRLDH-HSZRJFAPSA-N 431.919 5.735 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)ccc1O 1862481559 GHLREFUNCWNLLF-VWQFJMCTSA-N 449.547 5.256 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC)cc1OC 1862483733 GOMCIYFZXGBJFE-QHCPKHFHSA-N 437.536 5.171 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC(C)C)cc1OCC 1862485258 YXXIUGZWZIEXTF-HSZRJFAPSA-N 437.536 5.027 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@@H]2c2ccc(F)cc2)c1 1862490533 YAELINOOYQSOTR-XMMPIXPASA-N 445.490 5.100 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2cc(Cl)cc(Cl)c2)cc1 1862521897 TZDDLDDLMRABCC-HXUWFJFHSA-N 448.346 5.769 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@@H]2c2ccc(F)cc2)cc1 1862530690 WCHPRWSQPOYUFO-HSZRJFAPSA-N 449.909 5.820 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 1862539725 WMINZMBDBADBSV-HXUWFJFHSA-N 432.347 5.790 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862645139 BALPTMJCCRILIC-SFHVURJKSA-N 438.282 5.129 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc(Br)c1 1862681088 RHZPTSGIJUCIMB-IBGZPJMESA-N 446.316 5.357 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(F)cc1 1862688210 TVEZUTQHZWHMMT-REWPJTCUSA-N 439.527 5.772 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccc(F)cc2)c1 1862702722 KEDXGBNGJMQGJY-HJPURHCSSA-N 431.463 5.174 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1CCc1ccccc1 1862713180 JAYAEBYDJOWWEJ-HHHXNRCGSA-N 447.534 5.969 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccc(OC)c1 1862724600 PTLYIQKGWTZBCA-CJAUYULYSA-N 441.527 5.739 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862746410 FXERCRZHFMQLBA-HSZRJFAPSA-N 446.503 5.372 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 1862890322 JTUNYCQVZGXLTA-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE C=CCNC1=C(c2cccc3ccccc23)C(=O)N([C@@H](C)C23CC4CC(CC(C4)C2)C3)C1=O 1863590842 CCPJLSOXZFRHMD-PGGMPKIUSA-N 440.587 5.300 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(C)cc2)C(=O)N(Cc2ccc(C)cc2)C1=O 1863615344 PXHVZGZFYXWICW-UHFFFAOYSA-N 446.635 6.314 30 10 IKEE CCCCCCCCn1cc(OCc2cccc(C)c2)c(=O)cc1CSC(C)(C)C 1870168913 LFDXVGKTDLHARN-UHFFFAOYSA-N 429.670 7.128 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCc2ccccc2)cn1CCc1ccc(F)cc1 1870690337 BYQFMCJKKGWEHO-UHFFFAOYSA-N 446.566 5.026 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2)c(CNc2ccc(C)c(F)c2)cc1=O 1870833374 GMHJNJWZPNZWMZ-UHFFFAOYSA-N 436.571 6.305 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(C)cc2)c(CNc2cccc(OC)c2)cc1=O 1870839251 CZDFZBFHIQMKJE-UHFFFAOYSA-N 448.607 6.175 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2)c(=O)cc1CNc1cccc(C)c1 1870898483 UIFAQUDULPDJSE-UHFFFAOYSA-N 432.608 6.708 30 10 IKEE C#CCOc1cn(Cc2ccc(Cl)cc2)c(CNc2cc(Cl)ccc2C)cc1=O 1871010814 UIYACAUXTKEUPZ-UHFFFAOYSA-N 427.331 5.136 30 10 IKEE Cc1cc(C)cc(OCCN2COc3c(cc4c(c3C)O/C(=C\c3ccco3)C4=O)C2)c1 1871355847 ZNZPIJIUIZKQES-QRVIBDJDSA-N 431.488 5.052 30 10 IKEE C=CCOc1ccc(C(=O)Nc2ccc3c(C)c(C(=O)c4ccc(OC)cc4)oc3c2)cc1 1871358193 HGVWRYYOBMXFNS-UHFFFAOYSA-N 441.483 5.798 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc(C)c3C2=O)cc1 1871370963 KIGSJSYLRZKVQI-XKZIYDEJSA-N 445.427 5.137 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)c4cccc(OCC(C)C)c4)ccc3C2=O)cc1 1871379807 WUSNJHJCDOIVAY-WGARJPEWSA-N 442.511 6.119 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(ccc(O[C@@H](C)C(=O)OC(C)C)c3C)C2=O)cc1 1871400947 PXXQAENEBFUGPM-JYBCESJWSA-N 437.536 5.176 30 10 IKEE CCc1cccc(CC)c1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O 1871406476 IGLFPLNZLSRERT-AJIWAEEYSA-N 447.556 5.895 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O 1871414030 QRRIMYHQQXIKLE-LQFJMUIISA-N 439.920 5.732 30 10 IKEE Cc1c(OCc2ccc(C#N)cc2)ccc2c1O/C(=C\c1ccc(Br)cc1)C2=O 1871417152 FBRQKPJFPGGWIU-UUYOSTAYSA-N 446.300 5.824 30 10 IKEE Cc1c(OCC(=O)C(C)(C)C)ccc2c1O/C(=C\c1cccc(Br)c1)C2=O 1871419269 HPXLWWZGBHBLOD-WQRHYEAKSA-N 429.310 5.368 30 10 IKEE Cc1cc(OCC(=O)Nc2cccc(Cl)c2)cc2c1C(=O)/C(=C/c1ccc(F)cc1)O2 1871454656 QASQHGCTPFNRKG-FBHDLOMBSA-N 437.854 5.421 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(OC)cc2)[nH]c(N2CCC[C@H](C)C2)n1 1871562084 ZYURBRILDHUPEH-IBGZPJMESA-N 426.609 5.054 30 10 IKEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1ccc(F)cc1 1871822055 MVASYQIDRNHLPO-QHCPKHFHSA-N 446.588 5.152 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 1871835369 LQWHFAKBQDHBJQ-QHCPKHFHSA-N 428.598 5.184 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(Cl)cc1)c1ccccc1)S(=O)(=O)CCCC 1871884872 NEKJVLVGEYOYRR-NRFANRHFSA-N 434.989 5.028 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(Cl)cc1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1871889812 FKBYXRWNCIFUEB-KSFYIVLOSA-N 449.016 5.187 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)cc1C)[C@@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872549986 XOBOYVUQMBFHRM-MBSDFSHPSA-N 446.588 5.063 30 10 IKEE CCCCCCCCNC(=O)[C@H](NS(=O)(=O)c1c(C)cc(C)cc1C)c1ccccc1 1872605038 KXFIFGGJZHQFGR-HSZRJFAPSA-N 444.641 5.108 30 10 IKEE N#C[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872759230 HSWQYPFPOFFDBX-OAQYLSRUSA-N 425.469 5.875 30 10 IKEE N#C[C@H](C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nc(-c2ccc3ccccc3c2)cs1 1872760082 GWGPXGAOKVFRPL-LJQANCHMSA-N 444.428 5.270 30 10 IKEE N#C[C@H](C(=O)CCCOc1ccc(Cl)cc1)c1nc(-c2ccc3ccccc3c2)cs1 1872760449 OSRFPSGDMLGCRY-JOCHJYFZSA-N 446.959 6.652 30 10 IKEE Cc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c(C(C)(C)C)c1 1872763096 DPUJVXFMXJBWIJ-GOSISDBHSA-N 449.532 5.580 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)cc3)n2)c(OCC)c1 1872783604 DNXVFYXBUCPHHE-GOSISDBHSA-N 426.925 5.751 30 10 IKEE N#C[C@H](C(=O)c1ccc(Cl)c(Cl)c1)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872787810 ROCQBFHSYNDKKO-GFCCVEGCSA-N 442.154 6.914 30 10 IKEE CCCCCCCCNC1=C(c2cccc(Br)c2)C(=O)N(CC(C)C)C1=O 1873055426 HKMADCJVWDNJFZ-UHFFFAOYSA-N 435.406 5.135 30 10 IKEE N#Cc1ccc(Nc2nc(N3CCCc4ccccc43)nc3c2cnn3-c2ccccc2)cc1 1873484438 OYTVAKNSLUONOZ-UHFFFAOYSA-N 443.514 5.515 30 10 IKEE C=CCn1c(C(=O)Nc2ccccc2CC)cc2c(N(C)Cc3ccccc3)ncnc21 1873660597 PIHRCSRXOQKYLS-UHFFFAOYSA-N 425.536 5.068 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc(C(C)C)cc1 1874282918 GWHFQWULDBXEPO-CVKSISIWSA-N 439.028 6.391 30 10 IKEE CCCCC1CCC(c2nnc(SCc3cccc(C)c3)n2/N=C/c2cccn2C)CC1 1874285243 AUSZRTYJWAVWNW-OVVQPSECSA-N 449.668 6.564 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3)n2/N=C/c2ccc(F)cc2)c1 1874398447 HMFHNJNMYZIGBX-WPWMEQJKSA-N 430.552 5.685 30 10 IKEE CCOc1cccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2)c1 1874416919 ORVXVGZXQLFZNA-NLRVBDNBSA-N 428.561 5.442 30 10 IKEE Cc1ccccc1/C=N/n1c(Cc2ccccc2)nnc1SCc1ccc([N+](=O)[O-])cc1 1874417906 WFFPKZVECMSBOG-PCLIKHOPSA-N 443.532 5.260 30 10 IKEE CC(C)Cc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(F)cc1F 1874490638 BQXNLRRWRAATPK-MZJWZYIUSA-N 436.531 6.083 30 10 IKEE Fc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C2CCC2)c1 1874497716 XAAWDFIBULKDCZ-BHGWPJFGSA-N 435.355 6.166 30 10 IKEE COCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1cccc(Cl)c1 1874506196 RIOFZPXLQMLKMM-LSFURLLWSA-N 441.771 5.559 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874509813 WGDDGTXCKGXIAV-SSDVNMTOSA-N 433.896 5.106 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C(C)C)cc1OC 1874515541 DLRMWWWCPAVGAC-FSJBWODESA-N 430.961 5.247 30 10 IKEE CCCCCCOc1ccc(/C=N/n2c(S)nnc2CC2CCCCC2)cc1OC 1874560907 VOJVCKNZYCCEPG-JJIBRWJFSA-N 430.618 5.540 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1OCc1cccc2ccccc12 1874595965 JZXQMBBHOLNPDR-WYMLVPIESA-N 438.523 6.641 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OCC(=O)Nc1cccc(C)c1C 1874598112 VFMUTWKIZJTLQK-NTUHNPAUSA-N 433.479 5.365 30 10 IKEE CCCOc1c(Br)cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1OCC 1874602635 WOBANZWKJWOBJV-CMDGGOBGSA-N 434.286 5.441 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Br)c(OC)c(Br)c2)c1 1874605429 OPZFZPXJEBLOBW-VOTSOKGWSA-N 426.104 5.125 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1cccc(Cl)c1 1874612112 CGVVCZURKXNSCU-UXBLZVDNSA-N 428.271 6.377 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 1874614102 DYIMILRKFJCJMS-CSKARUKUSA-N 447.745 7.131 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Br)c1OCc1cccc(C)c1 1874614708 PTTPCQIPAXOULK-VAWYXSNFSA-N 437.333 6.241 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(Br)c(OCCC)c(OC)c2)cc1 1874617234 RKDWVSGCMCGLOQ-IZZDOVSWSA-N 433.342 5.931 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3C)c(Cl)c2)c(C)c1 1874617756 RRQWROCCYKWGLE-FMIVXFBMSA-N 433.935 6.179 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OCc1c(F)cccc1Cl 1874618046 HLQHOOXZLQWAGQ-ZRDIBKRKSA-N 438.926 6.970 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1Cl)Nc1ccccc1F 1874625894 BVSBSHRJZWGJPS-WEVVVXLNSA-N 445.824 5.671 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OC 1874635770 XVCWPKOMFZIUIL-PKNBQFBNSA-N 437.580 5.544 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OC(=O)Cc1ccc(F)c(C)c1 1874699103 DMEMMPMMUULHPO-JXMROGBWSA-N 438.882 5.840 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(F)c(F)c2)CSc2nnc(C3CCC3)n21 1874879595 LVYRDOUTBANQKL-HXUWFJFHSA-N 448.583 5.886 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccnc2)c(Cl)c1)c1ccc(-c2ccccc2)cc1 1875078319 KBWPQDGDWXVIDP-RIYZIHGNSA-N 439.898 6.517 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)c1cccnc1 1875126303 ABUVXAIXMNRSQA-BJMVGYQFSA-N 442.298 5.902 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OCCC)cc2)cc(OC)c1OC(=O)CCOC 1875139170 VFAWEMIKTGBDSL-MDWZMJQESA-N 438.520 5.051 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])c(Cl)c2)c1 1875139653 UCHSRGMFAAFTDR-PKNBQFBNSA-N 435.863 5.980 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc4ccccc34)cc2)cc1 1875154162 RMQJWWSUXWOKKZ-WOJGMQOQSA-N 436.463 5.880 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2)c(OC)c1 1875156118 LCBPHLOKSSSYID-FRKPEAEDSA-N 444.527 5.871 30 10 IKEE CCCCCCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(F)cc2)cc1OC 1875157668 JDTWYYWZFFWEHF-XNTDXEJSSA-N 446.946 7.040 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc(Cl)c1OC(C)=O 1875163168 YPIYAVJRJHRXLK-CMDGGOBGSA-N 430.928 6.001 30 10 IKEE CC(C)(C)OC(=O)NC1([C@@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)CCCC1 1902180795 AXGOWRWJDWJALR-QGZVFWFLSA-N 435.590 5.215 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NC)c1cc2ccccc2cc1NC(=O)OC(C)(C)C 1922125486 NHUDCGAOAPVONA-RUZDIDTESA-N 432.564 6.220 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1cccc2c1OCCN2C(=O)OC(C)(C)C 1922125550 NZWFOIAXRFKGTE-QHCPKHFHSA-N 438.568 5.244 30 10 IKEE CC(C)(C)OC(=O)Nc1ccccc1[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 1944208613 ZOQGJBAQIXOHAW-HXUWFJFHSA-N 429.561 6.168 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 1944735973 IWXHRHDHZQCCMF-MOPGFXCFSA-N 433.524 5.249 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H]1[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1978209483 KLORVQYIAGDFMZ-JTSKRJEESA-N 435.952 5.373 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)NCCC 2009732412 PZSFEUGIXITEHQ-UXHICEINSA-N 444.538 5.221 30 10 IKEE CCCCCCCCC[C@@H](CN)N(Cc1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 2018791055 YGMCXWUZFKIPRW-QHCPKHFHSA-N 431.665 5.576 30 10 IKEE C[C@H](N(Cc1ccccc1)C(=O)OC(C)(C)C)C(C)(C)Oc1c(N)ccc(F)c1C#N 2021603571 KSNBQXFWBHIUFU-INIZCTEOSA-N 427.520 5.263 30 10 IKEE CC(C)NCc1ccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)c(C#N)c1 2034744696 AZDRXHWAUQBHOD-UHFFFAOYSA-N 426.608 5.195 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Br)c(Cl)c1 2041573582 GDXNHEMCNPIEEB-IRXDYDNUSA-N 429.786 5.060 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)cn1 2050055802 YJGJNSRJPIQDQZ-SFHVURJKSA-N 442.491 5.574 30 10 IKEE N#Cc1c(/N=C/c2cc(C34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)ccc2O)sc2c1C1CCN2CC1 2059017158 JOKKUEFGUMAAPB-IWNIRXOJSA-N 443.616 6.241 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2071502215 WKTKHLVAIGWLPK-LNZPYGSCSA-N 445.535 5.249 30 10 IKEE CC[C@H](c1c(C)cc(C)cc1C)n1nc(C(F)(F)F)c(C#N)c1I 2079849152 SPZKVWCTTFNAJM-CYBMUJFWSA-N 447.242 5.303 30 10 IKEE N#Cc1c(-c2ccccc2)nn(Cc2cccc(F)c2Br)c1Br 2080351847 BGAURAXNMCLYDR-UHFFFAOYSA-N 435.094 5.134 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](Nc2ccc(Br)c(C#N)c2)CC12CCCCC2 2155293446 FNHMGNPKSFMJOW-QGZVFWFLSA-N 434.378 5.445 30 10 IKEE CC(C)(C)OC(=O)NCc1cccc(CNc2ccc(C#N)c(Br)c2F)c1 2162390113 RTQVBTAZPHARQM-UHFFFAOYSA-N 434.309 5.097 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@](C)(C#N)c1ccc(CN)cc1 2187551491 LECWANUFYUORHA-NRFANRHFSA-N 430.346 5.088 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1OCc1ccc(Cl)c(Br)c1 2197495304 WZYBATFPVCSXMX-UHFFFAOYSA-N 437.570 5.289 30 10 IKEE C=CC[C@@](C)(CO)N(C(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(OC)c1 2211052289 PITYOFXUHMQRAX-NDEPHWFRSA-N 443.543 5.778 30 10 IKEE C=C1CCC(C[C@@H](N)[C@@H](Cc2cccc(Br)c2)NC(=O)OC(C)(C)C)CC1 2237400326 WGEVROCBYYXXQA-WOJBJXKFSA-N 437.422 5.349 30 10 IKEE CCCCCCCCCNC1CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C1 2250308444 VLXPGQQJIZDSJM-UHFFFAOYSA-N 441.657 5.183 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Br)c([C@@H](N)C#Cc2ccccc2Cl)c1 2277843905 BLQMOHXKPDPIKP-SFHVURJKSA-N 435.749 5.501 30 10 IKEE C=CCCC1([C@@H](NCCC)c2cccc(Br)c2)CN(C(=O)OC(C)(C)C)C1 2281038797 WIYVRLYMYFYTTO-IBGZPJMESA-N 437.422 5.693 30 10 IKEE C=C(CC)C[C@H](NCCC)[C@@](C)(O)c1cc(Br)c(Br)s1 2281291400 IDKMPCAUALSMJK-SWLSCSKDSA-N 425.230 5.205 30 10 IKEE CN[C@H](C#Cc1cccc(Br)c1)c1cc(Cl)cc(NC(=O)OC(C)(C)C)c1 2296271897 IBXRNFDROSFROU-LJQANCHMSA-N 449.776 5.762 30 10 IKEE CC(C)(C)OC(=O)NC1([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)CCCC1 2302600558 IULVSGQXNUGSRJ-SFHVURJKSA-N 449.979 5.811 30 10 IKEE CCOc1ccc2oc(C)c(C(=O)Oc3ccc4c(c3)OC(=Cc3ccc(C)o3)C4=O)c2c1 2314437175 FIEYEWIVRJRQNH-UHFFFAOYSA-N 444.439 5.877 30 10 IKEE C[C@@H]1[C@@H](C)[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)CCN1C(=O)OC(C)(C)C 2321321314 MMUGEFJLYPORBW-RRQZXNHTSA-N 449.636 5.874 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1cccc(F)c1)O3)CN(Cc1ccc(Cl)cc1)CO2 2321958246 MXFCMBIGTLULSQ-UHFFFAOYSA-N 435.882 5.756 30 10 IKEE CCCCC[C@@H](CC)N1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(OC)cc1)C3=O 2322072589 BNNPVBFBJCGGJZ-HXUWFJFHSA-N 435.564 6.131 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)c1OCc1ccccc1C 2322307563 DOIPSABFTMLPHG-UHFFFAOYSA-N 434.535 7.146 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCC(=O)OCC(C)C)ccc3ccccc23)cc1OC 2322346994 PFVFIRNQONBPJD-UHFFFAOYSA-N 448.515 5.331 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2c(Cl)cccc2Cl)cc1 2322359605 RCDFHSRNWIEZLA-UHFFFAOYSA-N 445.773 7.684 30 10 IKEE CCOc1c(Br)cc(Br)cc1C=CC(=O)c1ccc(Cl)cc1 2322528563 NZJLNNATOLGSCB-UHFFFAOYSA-N 444.550 6.160 30 10 IKEE Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)C=Cc3cccc(Cl)c3)cc(C)c2c1 2322528587 VUFIVMIVRRVYKA-UHFFFAOYSA-N 441.922 5.523 30 10 IKEE CCOC(=O)c1ccc(COc2ccc3ccccc3c2C=CC(=O)c2ccccc2)o1 2322545621 WYGBBBTUBJWGKY-UHFFFAOYSA-N 426.468 6.085 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccccc2OCC(=O)N[C@@H](C)c2ccccc2)cc1 2322724851 BRZMICKYMLPWBA-NRFANRHFSA-N 427.544 5.962 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1OCc1nc(O)c2ccccc2n1 2323230455 YVCYPVXHJBLBSE-UHFFFAOYSA-N 448.425 5.097 30 10 IKEE Cc1cc(OC(=O)c2cccc([N+](=O)[O-])c2C)cc2c1C(=O)C(=Cc1ccccc1Cl)O2 2323260728 WJPOFYJOILZSKZ-UHFFFAOYSA-N 449.846 5.700 30 10 IKEE CCCOc1ccccc1C=CC(=O)Oc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O 2323341346 RGJPNOXBRIHFNT-UHFFFAOYSA-N 444.458 5.850 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 2323485258 HCSZFLMCYAZPKP-UHFFFAOYSA-N 441.354 7.040 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Br)cc2)ccc1OCc1cccc(F)c1 2323601863 CBDVUCDKUDJTNO-UHFFFAOYSA-N 441.296 6.072 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OC(=O)CCc4ccccc4)c3C)C2=O)cc1OC 2323720788 GGPSMMWVHIWNBY-UHFFFAOYSA-N 444.483 5.167 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OCC(=O)Nc1ccc(C)cc1 2323865565 TZIRJRVQSUGFFI-UHFFFAOYSA-N 443.543 5.924 30 10 IKEE Cc1cc(O)c(CN2C[C@@H](C)O[C@H](C)C2)c2c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O2 2324017864 BJCIPTIQYVJXTJ-QZTJIDSGSA-N 435.564 5.224 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc(Cl)c1OCCCO 2324221002 DJEJQZJTQBPEQV-UHFFFAOYSA-N 446.971 5.702 30 10 IKEE CCCCOC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccccc1Br)C2=O 2324293582 CWUNXTWXEFEQLA-UHFFFAOYSA-N 445.309 5.096 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C)cc2)C3=O)cc1 2324451625 HIEQWQUBHMVRQG-GOSISDBHSA-N 443.499 5.334 30 10 IKEE CCCOC(=O)COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1OCC 2324665688 DWBFUIIBJVVJNH-UHFFFAOYSA-N 437.319 5.620 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@H](C#N)C(=O)C=Cc2cccc(Cl)c2)n1 2324773992 LDIUSUIFAAYBEN-QGZVFWFLSA-N 443.355 6.324 30 10 IKEE COc1ccc(CCOc2ccc3c(c2C)OC(=Cc2cn(C)c4ccccc24)C3=O)cc1 2325631501 KETLOQYRHMLLFE-UHFFFAOYSA-N 439.511 5.733 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2cc(Cl)ccc2Cl)c1)c1ccccc1Cl 2325717777 JVOIEWOURYUMGP-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE COc1cccc(C(=O)Oc2cccc(C=CC(=O)c3cccc(Br)c3)c2)c1 2325720514 CQDNCOMSUPPFKC-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1C 2325738622 CQCMYTULTLOKSH-UHFFFAOYSA-N 431.463 5.385 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cccc(OC(=O)Cc3cc(Cl)ccc3Cl)c2)c1 2325740384 USLIHFSJHVXVLZ-UHFFFAOYSA-N 439.338 6.654 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2cccc(OC(=O)c3ccccc3F)c2)cc1Cl 2325759579 SIBFGPPOFISKJS-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE Cc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3cc(C(C)(C)C)ccc3C)c2)cc1 2325765586 WFBMCIKSOHTANS-UHFFFAOYSA-N 426.556 6.645 30 10 IKEE CCCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1N=Cc1ccncc1 2325860201 LLMDNCOYKTXGCO-UHFFFAOYSA-N 437.613 5.367 30 10 IKEE CCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1ccc(OC(C)C)c(Cl)c1 2326401318 OXVIIADCIDLFPN-UHFFFAOYSA-N 443.016 6.072 30 10 IKEE Cc1ccccc1OCCCc1nnc(SCc2ccccc2F)n1N=Cc1ccc[nH]1 2327098467 GIAVUFYOFLFRJH-UHFFFAOYSA-N 449.555 5.240 30 10 IKEE CCSc1nnc(COc2c(C)cccc2C)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2328554336 DNAAZBGBGWFAHR-UHFFFAOYSA-N 445.932 5.030 30 10 IKEE Fc1ccc(CSc2nnc(CC3CCCCC3)n2N=Cc2ccc(F)cc2F)cc1 2330234577 ZZWGBCHXIAEDPV-UHFFFAOYSA-N 444.526 5.993 30 10 IKEE Oc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2-c2ccccc2)cc1O 2330674887 FLQWULRFQHSKFG-UHFFFAOYSA-N 436.924 5.184 30 10 IKEE CCCSc1nnc(-c2ccccc2)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2330680293 XLKLVPHWDWAHDV-UHFFFAOYSA-N 442.544 5.549 30 10 IKEE Cc1ccsc1C(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1[N+](=O)[O-] 2330687367 HMJVBXPHSAJIPL-UHFFFAOYSA-N 447.512 5.959 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)c1 2330776959 RHUKZYIAHUCJEA-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCc3ccccc3C)nnc2C2CCCC2)cc1 2331030695 BUOMSGCIJFUZES-UHFFFAOYSA-N 447.652 6.265 30 10 IKEE COc1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2C2CCCC2)c(OC)c1 2331048552 ZSSPYCIOSLBZBZ-UHFFFAOYSA-N 440.544 5.267 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccco2)n1N=Cc1ccc(C(C)(C)C)cc1 2331174358 YYRRHIRBTQPAJD-UHFFFAOYSA-N 430.577 6.319 30 10 IKEE C(=Nn1c(SCc2cccc3ccccc23)nnc1-c1ccco1)c1c[nH]c2ccccc12 2331216366 FRUZCMXDPBKDKE-UHFFFAOYSA-N 449.539 6.347 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)Cc1ccccc1F 2331318300 VEXHZPWQLVTPHN-UHFFFAOYSA-N 448.490 5.504 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2cccc(C)c2)c([N+](=O)[O-])c1 2331362940 WEWAGSRNCODETR-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1Br)c1ccco1 2331473253 LEFNEZTYRGTBER-UHFFFAOYSA-N 447.284 6.311 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)C1CCCC1 2331489263 NUUTWQSRAJBKPZ-UHFFFAOYSA-N 426.940 6.464 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)CCc1ccccc1C 2331519482 FOJPDNZPBIBESM-UHFFFAOYSA-N 448.490 5.586 30 10 IKEE COc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CCC2)cc1 2331535564 VUSKYVNGIZEQJH-UHFFFAOYSA-N 428.561 5.882 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Br)c1OC(=O)C(C)C 2331565007 WXGBBWPETYIMBG-UHFFFAOYSA-N 439.252 5.193 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2ccc(OC(=O)c3cncc(C)c3)cc2)cc1Cl 2331695802 CRRYKLOQOMRSLN-UHFFFAOYSA-N 437.879 5.176 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2OC)cc1 2331715502 XDNNTNXPEVSRBJ-UHFFFAOYSA-N 442.555 6.309 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)cc2OC)cc1[N+](=O)[O-] 2331724938 AVAYODCVHSDDNR-UHFFFAOYSA-N 441.480 5.384 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c(Cl)c2)cc1[N+](=O)[O-] 2331833544 FBQKVDJRKTUIJZ-UHFFFAOYSA-N 445.899 6.029 30 10 IKEE Cc1cccc(NC(=O)N(Cc2ccccc2)C2CCCC2)c1B1OC(C)(C)C(C)(C)O1 2352767284 FRYFXRROEUXVLU-UHFFFAOYSA-N 434.389 5.271 30 10 IKEE CCc1ccc(-c2nc3cc(/N=C/C=C/c4cccc(Br)c4)ccc3o2)cc1 1922382 OUAPJIBRTUQZDN-OVMGZERMSA-N 431.333 7.235 30 10 IKEE CCc1ccc(NC(=S)N/N=C2\C(=O)N(Cc3cc(C)ccc3C)c3ccccc32)cc1 3041722 IIOQULHHIKEEGA-COOPMVRXSA-N 442.588 5.103 30 10 IKEE C/C(=C\CC1=CC(=O)c2ccccc2C1=O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C 4654839 UDYIPZFWVJJQJF-KQPZCCJBSA-N 436.680 8.768 30 10 IKEE endogenous,in-man COc1ccc(C(=O)C[C@@H]2S/C(=N\c3ccccc3C)N(c3ccccc3C)C2=O)cc1 15055266 ONBUMALGHNFBDT-QWEPBSKHSA-N 444.556 5.721 30 10 IKEE O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1)NC1CCCCCC1 15867223 AMNUINMVOITLRY-SANMLTNESA-N 433.552 5.099 30 10 IKEE O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccccc1)n1c(nc3ccccc31)N2 17094636 NFDFMDOJNZSNTL-AVRWGWEMSA-N 425.919 6.105 30 10 IKEE CCn1nc(C)c(CN/C(=N/C(=O)c2ccc(C)c(C)c2)Nc2cc(C)cc(C)c2)c1C 32971774 LEPARVJZIBLSCY-UHFFFAOYSA-N 431.584 5.152 30 10 IKEE Cc1cccc(C(=O)Oc2ccc(/C=C3\S/C(=N\c4ccccc4Cl)NC3=O)cc2)c1 33753117 NCAJCPAGPUCZPF-STZFKDTASA-N 448.931 5.759 30 10 IKEE COc1cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2)cc(OC)c1OC 34954343 LMQATKHEJLNIQV-NTEUORMPSA-N 432.472 5.136 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1)c1ccc(Br)cc1 34954983 GIIBFLRKEQZXNC-YIXHJXPBSA-N 441.708 6.218 30 10 IKEE N#Cc1cccc(CSc2nnc(C3CCCCC3)n2-c2ccc(Cl)c(Cl)c2)c1 35847444 BELAOEBKOINLNG-UHFFFAOYSA-N 443.403 6.786 30 10 IKEE O=C1/C(=C/c2c(Cl)cccc2Cl)Oc2cc(OCc3ccc(F)cc3Cl)ccc21 38321038 GFDWTCRLQBKECH-FBHDLOMBSA-N 449.692 6.981 30 10 IKEE Brc1ccc(COc2ccc(/C=N\Nc3nc4ccccc4s3)cc2)cc1 59386985 BSBOXZDQMDRFCE-QRVIBDJDSA-N 438.350 6.084 30 10 IKEE CCCCCCCCCCCCCCCCOc1cc(O)c(NC(C)=O)cc1C(C)(C)C 59520488 BOMDYWWCQBJGDU-UHFFFAOYSA-N 447.704 8.508 30 10 IKEE Cc1cccc(OCCSc2nc3ccc(/N=C/c4cccc([N+](=O)[O-])c4)cc3s2)c1 59855003 ADOJVXFSLRBOCM-BUVRLJJBSA-N 449.557 6.435 30 10 IKEE CCCCCCCCCCCCCCCCNCc1cccc(OC[C@@H]2CCCO2)c1 100125277 IMPZPBWPKVLGGW-NDEPHWFRSA-N 431.705 7.815 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c(O)ccc3ccccc13)N2 100372813 HTSIDBQSLJNPIE-NDDXJGTKSA-N 427.588 7.721 30 10 IKEE CCCCCCCCOc1ccc(/C=C2/C(=O)ON=C2c2ccc(OC)c(OC)c2)cc1 101662335 IHKZVALHEDMESF-OQKWZONESA-N 437.536 5.788 30 10 IKEE CCCCCCCCCCCCCCCCCCn1c(CO)nc2cc(C)c(C)cc21 102247224 FFTUMGOFURKIQM-UHFFFAOYSA-N 428.705 8.407 30 10 IKEE Cc1ccc(/N=c2/scc(-c3ccccc3F)n2/N=C/c2ccc3c(c2)OCCO3)cc1 102960573 RHIFBNWBUCGKQG-HMFCGGGJSA-N 445.519 5.550 30 10 IKEE CCC(NC1Cc2ccccc2C1)=C1C(=O)CC(c2ccc(Cl)c(Cl)c2)CC1=O 104047350 NOEHLCNNDZAUFB-UHFFFAOYSA-N 428.359 5.430 30 10 IKEE O=C1/C(=C\Nc2ccccc2F)S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccsc21 105336699 QALWZCUVRFWZPP-WOJGMQOQSA-N 448.928 5.027 30 10 IKEE CCCCCCCCCCCCCCCC(=O)N[C@H](CCC(=O)O)C(=O)OC(C)(C)C 117643375 LXTVAOWDMLOIBO-OAQYLSRUSA-N 441.653 6.159 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(OC)cc2)cc1 169921713 SFKBVTXBVQGPMO-HSZRJFAPSA-N 447.462 5.016 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C)c(C)c2)c1 169932698 RLPOZFFKUFPWEW-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2cccc(C)c2)c1 169966104 QAFBNHUVLNNACU-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2cccc(C)c2)cc1C 169971019 PHJOLGSPZCFGRQ-DEOSSOPVSA-N 443.499 5.109 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 169974947 PLDQFJRUINHDDN-DEOSSOPVSA-N 441.527 5.776 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccccn2)cc1 169991775 UETMHLWPPFMDLE-XMMPIXPASA-N 426.516 5.550 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccnc1 170005546 YXTVIWDIXWLZCM-FQEVSTJZSA-N 439.298 5.480 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2cccs2)=C(N2CCc3ccccc32)C1=O 170017676 JTQLAFQSVHHCGR-UHFFFAOYSA-N 436.621 6.031 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(OC)c3)[C@H]2c2ccccc2)cc1 170054757 KTTKIXIIDWOGML-DEOSSOPVSA-N 427.500 5.036 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)cc1C 170057784 LNCQBHFZPCSVGV-QFIPXVFZSA-N 435.882 5.879 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccc(C(C)C)cc1 170065926 KHBRPTKESIRENW-DEOSSOPVSA-N 446.547 5.295 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccccc2F)cc1C 170069841 REPGTARJQMMIBC-DEOSSOPVSA-N 440.474 5.707 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccc(O)c2)cc1C 170080638 UYOUMMZLRMYYDP-DEOSSOPVSA-N 439.467 5.538 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C2CCCC2)cc1 170116979 PVDRHLMJEAGJIM-XMMPIXPASA-N 431.532 5.095 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2Cc2ccco2)c1 170143813 IBQKMAVNFCFDDC-HSZRJFAPSA-N 431.488 5.154 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccc(OC(C)C)cc1 170152146 XXWYATHAOALSCZ-MZNJEOGPSA-N 449.547 5.176 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2cccs2)c1 170153771 YKIKGKXIWLQDPD-QFIPXVFZSA-N 449.528 5.328 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(F)cc1 170240162 VOHFDXNLHMCARM-VWLOTQADSA-N 441.502 5.796 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2C)c1 170269791 BMIXRVNQPFJUCK-HSZRJFAPSA-N 447.556 5.624 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccc2C)cc1C 170271582 YHHSSBNKVPDOPK-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccco2)c1 170279634 ZXWROPWZOFYEPH-OAQYLSRUSA-N 437.517 5.154 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccc(C)o2)c1 170305569 ACOSVBQMHVTLPY-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2sccc2C)c(C)c1 170315088 OOCRRCPTTZUUNH-OAQYLSRUSA-N 433.529 5.465 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2sccc2C)c(C)c1 170317405 IODVFLGABYGLGR-FQEVSTJZSA-N 425.550 5.285 30 10 IKEE CC(C)C(=O)C1=C(O)C(=O)N(c2cc(Cl)ccc2O)[C@H]1c1ccc(C(C)(C)C)cc1 170470349 PFIISZMZEQREMQ-FQEVSTJZSA-N 427.928 5.468 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c(C)cc(C)cc1C)N2 226644599 OQSPCMZGJHCODQ-KHVXQDHOSA-N 448.632 5.801 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc(Cl)cc(Cl)c1O)N2 226739834 YVJKBHYLMIKQLY-IECBHUPTSA-N 446.418 7.875 30 10 IKEE CCCCCCCOc1ccccc1C=Nc1cc(-c2ccccc2)nn1-c1ccccc1 254672430 HHLQQURILQTTOH-UHFFFAOYSA-N 437.587 7.639 30 10 IKEE O=C1/C(=C/c2ccc(Cl)c(Cl)c2)SC(=Nc2ccccc2)N1Cc1ccccc1 254806554 ZRWUUPHGWIYMQT-RNJGGXIZSA-N 439.367 6.798 30 10 IKEE COc1cc([N+](=O)[O-])cc(C=Nc2cc(-c3nc4cc(C)cc(C)c4o3)ccc2C)c1O 254816432 PHUWLDGKBMQGNV-UHFFFAOYSA-N 431.448 5.793 30 10 IKEE SC[C@@H]1CN(Cc2ccccc2)C[C@@H]1c1cc(Cl)ccc1I 382735732 WVLXSEBHRMAJSK-YOEHRIQHSA-N 443.781 5.090 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(/C=C\C(=O)Cc2ccc(F)cc2Br)cc1 405923677 HZAAUMDWDNFZHL-WDZFZDKYSA-N 434.305 5.760 30 10 IKEE CCCCCOc1ccc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526489345 QZIQKYQXYXATAW-DEOSSOPVSA-N 444.556 6.246 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2c(C)[nH]c3ccccc23)c1 526607593 YWKKBAZLOXZUHS-AREMUKBSSA-N 449.510 5.804 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1ccc(OC)c(O)c1Cl 526805400 LWBUGOROJVWCEC-FMCGGJTJSA-N 430.961 5.081 30 10 IKEE CCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1c(OC)ccc2ccccc12 526809558 IBWKXOOSOLMMRD-YSMPRRRNSA-N 430.577 5.794 30 10 IKEE COc1cccc(/C=N\n2cnnc2SCc2cccc(F)c2)c1OCc1ccccc1 526824596 KOSDLAXHPHNVRM-VYYCAZPPSA-N 448.523 5.179 30 10 IKEE C=CCCN(c1ccc(N2CCC(C)CC2)cc1)S(=O)(=O)c1cc(C)c(C)cc1OC 586215435 YUCLIWZPFIFHLQ-UHFFFAOYSA-N 442.625 5.320 30 10 IKEE O=C1C(=NNc2ccc(Br)cc2)c2ccccc2N1C/C=C\c1ccccc1 1083891138 ISWZINMHQBIZFB-SHXORBHXSA-N 432.321 5.325 30 10 IKEE Cc1ccc(-c2nc(NN=Cc3cc([N+](=O)[O-])ccc3O)sc2-c2ccccc2)cc1 1084551655 ZFKSRGWFXVNJFT-UHFFFAOYSA-N 430.489 5.845 30 10 IKEE Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)Cc1cc2ccccc2c(O)n1 1464963276 HHYOZGSSDOLARQ-UHFFFAOYSA-N 425.463 5.036 30 10 IKEE C=CCN(Cc1cccs1)C(=O)CNc1nc(C)nc2sc(-c3ccccc3)cc12 1540009724 HZPQWHYQLNJCLK-UHFFFAOYSA-N 434.590 5.355 30 10 IKEE N#Cc1ccc(-n2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2C(=O)O)cc1 1614814033 LYJCONFEEBYWJP-UHFFFAOYSA-N 425.288 5.147 30 10 IKEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C(C)C)CC1 1705791030 MLLBNLVLNWNOFG-UHFFFAOYSA-N 434.588 5.069 30 10 IKEE C/C(=C1\SC(=Nc2nc(C)cs2)N(C2CCCCC2)C1=O)c1ccc(C)c(C)c1 1772739809 VAZHJIUEEXXRMZ-ONGZRQCDSA-N 425.623 6.395 30 10 IKEE CCc1ccc(-n2cc(/C=N\NC(=S)Nc3ccc(F)cc3)c(-c3cccs3)n2)cc1 1857810160 SSHIXBDXXVMODQ-QFEZKATASA-N 449.580 5.623 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccc2OCC(=O)c2ccc(F)cc2)c1 1858743647 VXAVOJQEVDOVKS-UHFFFAOYSA-N 447.510 5.572 30 10 IKEE Cc1ccc(Cn2nc(C(=O)Nc3ccccc3C#N)cc2-c2cccc3ccccc23)cc1 1859392547 ACJBHIHIGNGVTB-UHFFFAOYSA-N 442.522 6.184 30 10 IKEE CC(C)c1ccc2oc(-c3cccc(C(=O)Nc4sc5c(c4C#N)CCCC5)c3)nc2c1 1859742765 BBVPCPFPIUKOLG-UHFFFAOYSA-N 441.556 6.682 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 1861562175 JTTMLLQCLFDSDY-BKWQBPKISA-N 428.661 6.149 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 1861815720 RDDLGONNQJFTHB-NRFANRHFSA-N 433.593 5.449 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2C)cc1 1862389905 QAIITWKOKVTEGO-XMMPIXPASA-N 429.516 5.709 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccccc2C)cc1C 1862400427 DRPMDCVUYDJMSB-XMMPIXPASA-N 445.490 5.230 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1cccc(Cl)c1 1862402977 LSVTXBQNWQUQEU-OAQYLSRUSA-N 427.928 5.426 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(F)cc1F 1862432714 LGCWFCFDBXPQNS-XFPJRNFQSA-N 445.893 5.775 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@@H]2c2cccc(C)c2)cc1 1862474998 AQXMZEYTRLBZQG-HSZRJFAPSA-N 431.919 5.735 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccc(F)cc2)c1 1862490189 PNAPJSCOVFFBST-XMMPIXPASA-N 435.539 6.134 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@H]2c2ccccc2F)c1 1862490327 STVSNYBTTCQSCL-QHCPKHFHSA-N 449.909 5.874 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(Cl)c2)ccc1F 1862502790 JBACAXISCQQNTH-FQEVSTJZSA-N 425.843 5.159 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(O)cc1 1862544500 FMLXXQYFUKXBPE-DEOSSOPVSA-N 433.548 5.430 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C2CC2)c1 1862550207 FNGWOWZCHILZQC-XMMPIXPASA-N 431.532 5.095 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccccc1C(=O)O 1862616879 UICKUWLTKIQVTD-QFIPXVFZSA-N 449.547 5.307 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(Cl)cc1 1862661525 QZMDXWCVAKIXMY-QFIPXVFZSA-N 425.956 6.088 30 10 IKEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCC(C)C)cc1 1862667335 YOTWCPBUBXMHSV-QHCPKHFHSA-N 449.547 5.221 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CC(C)C)cc1 1862668534 BGQASLFHDUTMNH-DEOSSOPVSA-N 435.564 5.833 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(CC)cc1 1862687252 IOUYEXWRLCVVQM-RDGATRHJSA-N 449.591 6.195 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(C)cc1 1862713269 LDIFMJZBGOGKIU-VWLOTQADSA-N 427.544 6.307 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2C(C)C)cc1 1862726361 DUOWCRRBDTYQSS-VWLOTQADSA-N 441.527 5.739 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 1862736446 YGFQXPZLXLVSKX-OYHNWAKOSA-N 446.434 5.073 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(Cl)cc2)C(=O)N(CCCCCO)C1=O 1863534680 GMPDEZDZVABDSI-UHFFFAOYSA-N 449.035 5.313 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(OC(C)C)cc2)C(=O)N(C(C)C)C1=O 1863693621 FCZGIRPACJPZES-UHFFFAOYSA-N 428.617 5.692 30 10 IKEE CCCCCCCCNC1=C(c2ccc(F)c(C)c2)C(=O)N(Cc2ccc(C)cc2)C1=O 1863786652 NNXPULUTADYYNL-UHFFFAOYSA-N 436.571 5.673 30 10 IKEE CCCCCCCCCCCC(=O)NC[C@H](c1ccccc1)S(=O)(=O)c1ccccc1 1865984730 CWRMGNSHZMSMHZ-RUZDIDTESA-N 443.653 6.239 30 10 IKEE C/C(=C\c1ccccc1Cl)C(=O)N[C@H](C(=O)Nc1cccc(C#N)c1)c1ccccc1 1866819725 KTCXKPRBQRLYHS-IOUNIBQOSA-N 429.907 5.111 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N2C[C@H](C)C[C@@H](C)C2)nn1-c1cccc(Cl)c1 1870017915 NXUQXBSTKFTXGW-RTBURBONSA-N 446.039 6.092 30 10 IKEE CCCCC1CCC(C(=O)Nc2c(C#N)nnn2-c2ccc(N(CC)CC)cc2C)CC1 1870154546 XIABXFUWSIBLKZ-UHFFFAOYSA-N 436.604 5.229 30 10 IKEE C=CCOc1cn(CCc2ccc(OCC)c(OCC)c2)c(CSC(C)(C)C)cc1=O 1870245781 DQTSYOAFNMJXFR-UHFFFAOYSA-N 445.625 5.485 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)OC(C)C)c(=O)cc1CSC(C)C 1870274991 BJQUAOOAVVXFFZ-UHFFFAOYSA-N 439.662 5.961 30 10 IKEE CCCCCCCOc1cn(CC)c(CNc2ccc(-c3ccccc3C)cc2)cc1=O 1870836539 ZHXBXMPSVMYROY-UHFFFAOYSA-N 432.608 6.805 30 10 IKEE CCCCCCCCn1cc(OCCOC(C)C)c(=O)cc1CNc1ccc(OC)cc1 1870986839 OIEHQBFTLJNMAF-UHFFFAOYSA-N 444.616 5.633 30 10 IKEE C=CCn1cc(OCc2cccc(F)c2)c(=O)cc1CNc1cccc(C(F)(F)F)c1 1871062898 RKYVUXGWLGDXCN-UHFFFAOYSA-N 432.417 5.383 30 10 IKEE Cc1cc(OC(=O)c2c(F)cccc2Cl)cc2c1C(=O)/C(=C/c1ccccc1F)O2 1871375599 UKVMUFKLAGMECG-GRSHGNNSSA-N 426.802 5.762 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc(C(C)C)cc4)cc(C)c3C2=O)o1 1871379971 PJOASVHYZQVKJN-DNUMDTLGSA-N 428.484 6.255 30 10 IKEE CC(C)=C1Oc2c(ccc(OC(=O)c3cccc(OC(=O)c4cccs4)c3)c2C)C1=O 1871392450 XLVZZVBIKYLDIT-UHFFFAOYSA-N 434.469 5.364 30 10 IKEE Cc1c(OCCc2ccccc2)ccc2c1O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 1871400322 WGDNKMYOCZBQFK-RRAHZORUSA-N 432.519 6.900 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2cccs2)C3=O)c1 1871410910 COVBKXWNDTXTGG-VYZAVGSRSA-N 433.529 5.696 30 10 IKEE COc1ccc(OCCCOc2ccc3c(c2C)O/C(=C\c2ccccc2F)C3=O)cc1 1871415533 HIZUKLFGCDLFRZ-JLPGSUDCSA-N 434.463 5.607 30 10 IKEE CC(=O)Nc1ccc(C(=O)COc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871432261 AMDZTWHSVPRXMN-PRUYFSNSSA-N 439.467 5.079 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@H](C)CC)S(=O)(=O)CCC 1871854794 BWKGIUYAOVETPJ-XXBNENTESA-N 444.597 5.060 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(CC)cc3)cs2)cc1OC 1872761570 QKHDYPJFDCTZJV-MEJUDOHFSA-N 432.545 5.669 30 10 IKEE CCc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)cc1 1872765140 IJTKBYWGSMLMAF-OAQYLSRUSA-N 434.561 5.725 30 10 IKEE N#C[C@H](C(=O)COc1cc(Cl)ccc1Cl)c1nc(-c2cccc(Cl)c2)cs1 1872767279 WHLKUTNAJUYIOX-CQSZACIVSA-N 437.735 6.026 30 10 IKEE CCCCC1CCC(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)CC1 1872769517 UBYIQBUDRTVDHZ-VMBOVVBDSA-N 435.420 7.290 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@H](C#N)C(=O)/C=C/c2ccc(F)cc2)n1 1872786907 VWKLQKWVMMEPBO-ZGRWHYIRSA-N 426.900 5.809 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@@H](C#N)C(=O)c2cc([N+](=O)[O-])ccc2Cl)n1 1872788996 WFYSJSFOCPIIHP-AWEZNQCLSA-N 448.287 5.524 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)CCOc3ccccc3)n2)c2ccccc12 1872789011 WLWVRWLLTFQYHA-OAQYLSRUSA-N 428.513 5.617 30 10 IKEE CCCCCCCCNC1=C(c2ccc(OC)c(OC)c2)C(=O)N(CCCCCC)C1=O 1873019445 FFTXTSADOKOQTN-UHFFFAOYSA-N 444.616 5.314 30 10 IKEE C=CCN1C(=O)C(NC2CCCCCCCCCCC2)=C(c2cc(F)c(F)cc2F)C1=O 1873063972 XMQUTDGWWAGUTH-UHFFFAOYSA-N 448.529 5.633 30 10 IKEE CCCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1cccc(F)c1 1874213885 JZXDKDUYRZZOIH-BUVRLJJBSA-N 432.952 5.467 30 10 IKEE Cc1ccc(OCCCc2nnc(SCc3ccccc3)n2/N=C/c2cccnc2)cc1 1874251935 CEJVMBOQNXJFBC-OVVQPSECSA-N 443.576 5.168 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2/N=C/c2cccc3ccccc23)CC1 1874287427 DUOCDYKJCFLTKN-ZXVVBBHZSA-N 434.653 7.280 30 10 IKEE COc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2F)cc1 1874292014 HJUQKVWEXBRMQR-CVKSISIWSA-N 448.523 5.179 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1cccn1C 1874360886 CMJHKIZIBYVTSW-WGOQTCKBSA-N 433.556 5.024 30 10 IKEE CCSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874366353 DWIQHHICEONEBV-WGOQTCKBSA-N 448.979 6.172 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(C)c3)n2/N=C/c2cccc(Cl)c2)cc1 1874388395 KHDGQABWKCJPEA-JVWAILMASA-N 447.007 6.314 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2[C@H](C)c2ccccc2)cc1 1874393304 JCUFDPPOXYCSMT-WKTMJKCCSA-N 444.579 6.306 30 10 IKEE Fc1ccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2cccc(F)c2)cc1 1874406484 PXBQGDOVJORDJQ-CVKSISIWSA-N 426.536 5.854 30 10 IKEE CN(C)c1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2)cc1 1874416987 RZSRFLFVWPJIBC-NLRVBDNBSA-N 427.577 5.109 30 10 IKEE CC(C)(C)c1ccc(/C=N/n2c(SCCc3ccccc3)nnc2-c2cccs2)cc1 1874423207 ZYGYQOOVGYQDIF-NLRVBDNBSA-N 446.645 6.521 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccccc3)n2/N=C/c2cn(C)c3ccccc23)c1 1874426691 VSXKKGRDLNAXDF-JVWAILMASA-N 437.572 5.920 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(O)c(O)c1 1874440145 LEPPHXAXURGZDX-CVKSISIWSA-N 446.576 5.606 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2[C@H]2CCCO2)c1 1874441877 LMTFZFYYHCDOCJ-NJRDNMGOSA-N 436.581 5.401 30 10 IKEE C=C(C)CSc1nnc(C2CCCC2)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874454552 JULAJATZULPAKG-WGOQTCKBSA-N 446.576 5.705 30 10 IKEE Cc1ccccc1CSc1nnc(C(F)(F)F)n1/N=C/c1ccc(C(C)(C)C)cc1 1874458481 QNSFJSJLQGGMRY-LGJNPRDNSA-N 432.515 6.077 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCCc2ccccc2)nnc1C(F)(F)F 1874461681 AGZJGWAVHFKGEH-MFKUBSTISA-N 434.487 5.303 30 10 IKEE CC(C)Cc1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1cccc2ccccc12 1874490443 QUGRZPSITXQQPW-WGOQTCKBSA-N 449.624 5.053 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C(C)C)c1 1874515788 PXHFVEIEACHYSS-AUEPDCJTSA-N 435.380 5.897 30 10 IKEE Clc1ccc(CSc2nncn2/N=C/c2cccc(Br)c2)cc1Cl 1874540432 OQQPGQRLHMIQQN-ODCIPOBUSA-N 442.169 5.522 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(Cl)cc2)c1OCc1cccc2ccccc12 1874578378 KWPQQWQGDPVUGV-SAPNQHFASA-N 428.915 6.977 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OCC(=O)Nc1ccc(C)c(C)c1 1874595584 SYZKGSVBMZAGJC-LFYBBSHMSA-N 449.934 5.879 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cccc(OCC(=O)N[C@@H](C)c3ccccc3)c2)c(C)c1 1874600401 KLHQRFGMFGFOMC-TWLJRWAQSA-N 427.544 5.764 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)c(Cl)c2)cc1 1874609178 CAPZCEKSRFVFRI-ODHXBGJQSA-N 449.934 5.501 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OCc1ccc(C)cc1 1874627416 RSVOATWWPLYGIJ-ACCUITESSA-N 444.571 6.919 30 10 IKEE COc1cccc(CCC(=O)Oc2cc(/C=C/C(=O)c3cccc(OC)c3)ccc2OC)c1 1874694902 ZTBWEXBUDYVVNI-JLHYYAGUSA-N 446.499 5.147 30 10 IKEE Cc1ccc(C)c(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(F)cc3F)c2)c1C 1874699871 QSWNTHGTZIZTBH-FMIVXFBMSA-N 436.454 5.771 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(Cl)cc3)c2)c1 1874700964 VFCJAKIVAJZMSA-WUXMJOGZSA-N 436.891 5.401 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(C(F)(F)F)cc3)c2)cc1 1874701536 XWHUFUDKZZHZBS-GIDUJCDVSA-N 440.417 6.219 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OC(=O)Cc1cccc2ccccc12 1874702902 PBSJSVHQUBEZPO-FOWTUZBSSA-N 436.507 6.201 30 10 IKEE O=C(Cc1ccccc1[N+](=O)[O-])Oc1cccc(/C=C/C(=O)c2cccc3ccccc23)c1 1874708276 UUSUEVKPUYAAPY-FOCLMDBBSA-N 437.451 5.792 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc1OC(=O)CCCSC 1874715064 BDLYJYNESSTLQQ-VQHVLOKHSA-N 448.968 5.610 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OC(=O)CCc1ccccc1 1875095653 AJRUOSRHUDGXKC-LFIBNONCSA-N 436.507 6.283 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc4ccccc4c3)cc2)cc1 1875096271 FYMFYNLABUCVDK-CPNJWEJPSA-N 434.535 6.837 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2)c(Cl)c1)c1ccc(Br)cc1 1875110088 SPYPLFSSYQRVAW-WUXMJOGZSA-N 441.708 6.218 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC(=O)c1ccco1 1875117510 IVTWPHZUKMBRPF-BJMVGYQFSA-N 441.823 5.355 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OC(=O)c1ccc([N+](=O)[O-])cc1 1875127714 UKSKGOVKIGQCPD-KPKJPENVSA-N 437.835 5.372 30 10 IKEE CC(C)COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2)cc1 1875150419 MRCJWGYZCHALOQ-WLRTZDKTSA-N 444.483 5.565 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2Cl)cc1 1875158195 KCEDECVURMKUJD-LNKIKWGQSA-N 436.910 6.892 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)CCOc1ccccc1 1875158587 CSHSNBIFBPOSPV-RIYZIHGNSA-N 434.463 5.495 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)C3CCC3)c(Br)c2)cc1C 1875187644 FCWPTUICAHRBQX-VQHVLOKHSA-N 443.337 5.676 30 10 IKEE O=C(Nc1ccc(C(F)(F)F)c(F)c1)c1ccccc1-c1ccc(C(F)(F)F)cc1 1890641947 AHYQEHPIMKGEJX-UHFFFAOYSA-N 427.319 6.783 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C)NCCC 1922114296 XHOUOEUJDHQIEX-XZOQPEGZSA-N 430.633 5.553 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@](C)(C#N)[C@@]1(C)CCN1C(=O)OC(C)(C)C 1999898828 XIWIJEJZKNACDC-RPWUZVMVSA-N 435.609 5.628 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(Cc3ccccc3)C[C@H]2C)cc1 2037426393 LBECQXSDMHBXDH-IBVKSMDESA-N 435.568 5.241 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C12CCC2 2057186366 WUKLKPPPDPRRLL-XMMPIXPASA-N 445.535 5.393 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)NCCC 2069864764 MYQUOYXXIRKFCA-LSQMVHIFSA-N 444.660 5.849 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@]1(C#N)C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 2070328611 ROFOKUDQVUWSJT-SURPGJSWSA-N 436.527 5.845 30 10 IKEE C=CCCCC[C@@H](N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071357756 RKVHFBQVRPTXQG-LEAFIULHSA-N 431.576 5.952 30 10 IKEE CC(C)[C@@H](c1ccc(C(F)(F)F)cc1)n1nc(C2CCC2)c(C=NO)c1Br 2079876818 OWTGJQONMAXQDJ-KRWDZBQOSA-N 444.295 5.985 30 10 IKEE CC[C@@H](c1ccc(C)c(F)c1F)n1nc(C(F)(F)F)c(C=NO)c1Br 2079954279 KBQGZBSGSKXOBK-JTQLQIEISA-N 426.183 5.059 30 10 IKEE Cc1cc(-c2cc(Cl)n3nc(C4CCCCC4)c(C#N)c3n2)ccc1Br 2081395576 USRQLVIPNXORMI-UHFFFAOYSA-N 429.749 6.040 30 10 IKEE CSc1ccc(CN2CCN(CCC(C#N)(c3ccccc3)c3ccccc3)CC2)cc1 2087926961 PGWNSDVMHDVSHU-UHFFFAOYSA-N 441.644 5.426 30 10 IKEE C=CCCCCCC[C@@H](NC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2141922550 PZTYNSJNSXQDQZ-GOSISDBHSA-N 425.411 6.583 30 10 IKEE C=CC1(C[C@@H](NCC)c2ccc(Br)cc2I)CCC1 2142285536 QOHMELDZIDKEIL-OAHLLOKOSA-N 434.159 5.451 30 10 IKEE CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)Nc1cccc(Br)c1 2149841021 GGNRQONTSQVMDV-IIBYNOLFSA-N 436.394 5.426 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(C)cc(Br)c1F 2159127572 HURKSNGWZHNKAA-PKOBYXMFSA-N 441.385 5.244 30 10 IKEE CC(C)(C)OC(=O)NCC1CCC(CNc2cc(Br)c(C#N)cc2F)CC1 2162294155 WHJGVSBAJKUMLA-UHFFFAOYSA-N 440.357 5.203 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCCN(C(=O)OC(C)(C)C)CC2)cc1 2259676956 YTCQVUDQRHDTQW-VWLOTQADSA-N 443.588 5.810 30 10 IKEE C=C(COCc1ccccc1)[C@@]1(OCC(=O)O)CCC(C)(C)C[C@H]1OCc1ccccc1 2261826638 COZIKOMHEIBIDU-SQHAQQRYSA-N 438.564 5.395 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Br)cc(C(C)(C)C)c1 2273002263 ALGOXSQYHRBARQ-ROUUACIJSA-N 425.411 5.477 30 10 IKEE CCCCN1C(=O)C(=C2Sc3ccccc3N2CC)SC1=Nc1ccc(C)c(C)c1 2295178745 UYKMZNFOAILKAG-UHFFFAOYSA-N 437.634 6.468 30 10 IKEE CC(C)c1ccc([C@@H]2C(=C(O)c3ccc(Cl)cc3)C(=O)C(=O)N2C[C@H]2CCCO2)cc1 2296132853 MZSMBVNVHXRFAN-IFMALSPDSA-N 439.939 5.064 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](C#Cc1cccc(Br)c1)NCCC 2296219055 KMDXVXRJHNJGLY-UXHICEINSA-N 435.406 5.028 30 10 IKEE CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)C(=O)C#Cc1cccc(Br)c1 2296231172 ASHCXQGZJBAANC-LJQANCHMSA-N 434.374 5.233 30 10 IKEE Cc1cccc(N=Cc2ccc(OC(=O)C=Cc3ccc(Br)cc3)cc2)c1C 2296653983 ABOSHFVVARWTRU-UHFFFAOYSA-N 434.333 6.435 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(I)cc2)SC1=Nc1ccccc1 2296737812 WHFMYQWZAVJVBL-UHFFFAOYSA-N 446.313 5.081 30 10 IKEE C[C@H]1CCCN(C(=Nc2sc(-c3ccccc3)nc2-c2ccccc2)c2ccccc2)C1 2297748603 FYZDLNUGRYSMSA-NRFANRHFSA-N 437.612 7.287 30 10 IKEE COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=Cc2ccc(OCc3ccccc3)cc2)C1=O 2313510680 DPFPZCVCEARJKA-UHFFFAOYSA-N 439.511 5.451 30 10 IKEE COc1cc(C=C2SC(=Nc3cccnc3Cl)N(c3ccccc3)C2=O)ccc1O 2314539981 GFLQXCCHBXJFJB-UHFFFAOYSA-N 437.908 5.258 30 10 IKEE Cn1cc(C=C2Oc3cc(OCc4ccc([N+](=O)[O-])cc4)ccc3C2=O)c2ccccc21 2321851223 DGUNZPVCGBKVOQ-UHFFFAOYSA-N 426.428 5.282 30 10 IKEE COc1ccc(CCN2COc3ccc4c(c3C2)OC(=Cc2cccc(Cl)c2)C4=O)cc1 2321937492 VUFPTBMIQLBWEI-UHFFFAOYSA-N 447.918 5.359 30 10 IKEE CCCCC[C@H](CC)N1COc2ccc3c(c2C1)OC(=Cc1ccc(OCC)cc1)C3=O 2322071812 RBKVBFCTKSHRCN-FQEVSTJZSA-N 435.564 6.212 30 10 IKEE CCc1ccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3ccccc3OC)C4)C2=O)cc1 2322319010 YPLKSDXPACPGIY-UHFFFAOYSA-N 441.527 5.534 30 10 IKEE COc1cccc(C(=O)C=Cc2c(OCc3cccc4ccccc34)ccc3ccccc23)c1 2322371549 PULARUZQZJMNFL-UHFFFAOYSA-N 444.530 7.477 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(Cl)cc2C=CC(=O)c2cccc(OC)c2)o1 2322371941 CLOGTFUMFIHMLG-UHFFFAOYSA-N 440.879 5.593 30 10 IKEE Cc1ccc(C)c(CN2COc3c(cc4c(c3C)OC(=CC=Cc3ccccc3)C4=O)C2)c1 2322415082 WRJXOACNTVFKTB-UHFFFAOYSA-N 437.539 6.136 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccccc1)C3=O)CN(C[C@H](O)c1ccc(Cl)cc1)CO2 2322436625 GUSKMHQHHJJFMD-QFIPXVFZSA-N 447.918 5.150 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccccc1)C3=O)CN(CCCCc1ccccc1)CO2 2322443066 ZOPKOTYHPDAEDG-UHFFFAOYSA-N 425.528 5.786 30 10 IKEE O=C(C=Cc1cc(Br)ccc1OCc1ccccc1)c1cccc2ccccc12 2322720695 XPNZYNUMHCFAET-UHFFFAOYSA-N 443.340 7.077 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(OC(=O)c4cc5ccccc5o4)c3C)C2=O)cc1 2322842781 NEOAGXOVIOKZCD-UHFFFAOYSA-N 440.451 5.975 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccccc1OCC(=O)Nc1c(C)cccc1C 2322845636 NVZDTZOFBLVCRA-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccccc2)c(OC)c1OC 2323035144 OZRZQBZATMUSRF-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE Cc1c(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(F)c2)C3=O)cccc1[N+](=O)[O-] 2323260909 UYIKRJVAUZTEBP-UHFFFAOYSA-N 433.391 5.186 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1cccc(OCc2cccc3ccccc23)c1 2323299921 LRGSBHLBGJDMBU-UHFFFAOYSA-N 442.942 7.285 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cccc(OCC(=O)N[C@H](C)c3ccccc3)c2)c(C)c1 2323302468 KLHQRFGMFGFOMC-JOCHJYFZSA-N 427.544 5.764 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)Cc3cccc4ccccc34)cc(C)c2C1=O 2323400738 RMGALJKRNSZCHH-UHFFFAOYSA-N 434.491 6.221 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(OC)c(OCc3cccc(Cl)c3)c(OC)c2)cc1 2323461804 WEDAFUVIOGXIBD-UHFFFAOYSA-N 436.935 6.395 30 10 IKEE COc1ccccc1-c1csc(NN=Cc2cc(Br)cc(OC)c2OC)n1 2323840093 KGYPTKFXXSMBSL-UHFFFAOYSA-N 448.342 5.044 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OCC(=O)Nc1c(C)cccc1C 2323873206 XVGLJNNTCXBJOI-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCc3cccc(F)c3)c(OCC)c2)cc1 2323934295 QHEDIQAYYSNANB-UHFFFAOYSA-N 434.507 6.488 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1F 2324107414 WURURUAVWBSGAX-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(OC)c1OCC(=O)NCCC 2324172903 NEDHFDYDXVDSPK-UHFFFAOYSA-N 435.564 5.348 30 10 IKEE COc1ccccc1C=C1Oc2cc(O[C@@H](C)C(=O)Nc3ccccc3C)ccc2C1=O 2324406180 LGZDNBLQNHWQHX-KRWDZBQOSA-N 429.472 5.026 30 10 IKEE COc1ccccc1C=C1Oc2cc(O[C@H](C)C(=O)Nc3ccccc3C)ccc2C1=O 2324406181 LGZDNBLQNHWQHX-QGZVFWFLSA-N 429.472 5.026 30 10 IKEE Cc1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2cccc(F)c2)C3=O)c1C 2324498862 WMZKSSNHHSPNKT-QGZVFWFLSA-N 431.463 5.465 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCCCCOc4ccc(C)cc4)cc(C)c3C2=O)cc1 2324589136 RXWXVTDBOHTDFK-UHFFFAOYSA-N 442.555 6.720 30 10 IKEE O=C(C=Cc1ccc(OCCc2ccccc2)c([N+](=O)[O-])c1)c1cc(Cl)ccc1Cl 2324662211 BQGXSOKIUHBWDM-UHFFFAOYSA-N 442.298 6.419 30 10 IKEE C=CCOc1c(OCC)cc(C=CC(=O)c2ccc(OC)c3ccccc23)cc1[N+](=O)[O-] 2324685779 RCJYJRFAEJBHQV-UHFFFAOYSA-N 433.460 5.616 30 10 IKEE CCCC[C@@H](Oc1ccc2c(c1C)OC(=Cc1c(Cl)cccc1Cl)C2=O)C(=O)O 2324781259 BWJRVTDPHMVFHJ-GOSISDBHSA-N 435.303 5.940 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)c(C)c1 2324882637 FLTHISLEHWAUSP-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=CC=Cc2ccccc2)C3=O)c(C)c1 2324893366 MEQGZSYYABFCQJ-UHFFFAOYSA-N 439.511 5.802 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccc(C)c(C)c3)c2)cc1C 2325712911 LFDVUBSQTMJUBP-UHFFFAOYSA-N 444.527 5.673 30 10 IKEE COc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccc(C)c(Cl)c3)ccc2C1=O 2325729022 NBCVMMHCGUQNSO-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3cccc(C=CC(=O)c4ccc(Cl)cc4)c3)c(C)c2c1 2325730706 FLOXTMRXHGBPHW-UHFFFAOYSA-N 429.903 6.553 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCc4cc(=O)oc5ccc(C)cc45)cc(C)c3C2=O)c1 2325741642 UEKODWNITQAOTF-UHFFFAOYSA-N 438.479 5.913 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)cc1OC(=O)C1CCCC1 2325755957 FPTUYNISOJRQMT-UHFFFAOYSA-N 449.330 6.002 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2cccc(OC(=O)Cc3ccccc3F)c2)c1 2325758126 FSGPHOFDMFPJFA-UHFFFAOYSA-N 448.490 5.667 30 10 IKEE CCOc1ccc(C=Nn2cnnc2SCc2ccc(C(C)(C)C)cc2)cc1OCC 2326315277 CIVXJMNAIHJCIW-UHFFFAOYSA-N 438.597 5.548 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccccc3)n2N=Cc2ccc(C)cc2)CC1 2328160511 JCNCDGXVDVLKOR-UHFFFAOYSA-N 446.664 7.225 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2N=Cc2ccccc2OCCC)CC1 2328179998 NUYYNIUQMCNVJE-UHFFFAOYSA-N 442.673 6.915 30 10 IKEE Cc1ccc(C)c(CSc2nnc(COc3ccccc3)n2N=Cc2ccc(O)cc2)c1 2329919268 FXCIJSWGXDENSV-UHFFFAOYSA-N 444.560 5.354 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccccn1 2330129477 QWQZQFHEPZZGJM-QGZVFWFLSA-N 433.968 5.653 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)c(F)c3F)c(OC)c2)cc1 2330990494 PTUKCMOXCAGQBW-UHFFFAOYSA-N 442.389 5.236 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2F)c(Br)c1)c1ccccc1 2331168068 VSPCWPABZZBTGC-UHFFFAOYSA-N 425.253 5.704 30 10 IKEE C=C(C)CSc1nnc(C(C)(C)C)n1N=Cc1ccc(OCCCC)c(OCC)c1 2331394607 BFEULALPGOQRLN-UHFFFAOYSA-N 430.618 5.704 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2ccccc2Cl)nnc1C(C)(C)C 2331397966 NKNBLJKYGSZAMS-UHFFFAOYSA-N 443.016 6.192 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)c1ccc(OC)cc1 2331539424 GHWZEPVZOJGHCL-UHFFFAOYSA-N 446.474 5.687 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1ccccc1OC 2331566090 FEUCQRHTMFVJLN-UHFFFAOYSA-N 438.426 5.487 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3sccc3C)cc2)cc1C(C)C 2331571822 UKMDYTQBIRCCEP-UHFFFAOYSA-N 434.557 6.612 30 10 IKEE O=C(CSc1nnc(C2CC2)n1N=Cc1cccc2ccccc12)Nc1ccc(F)cc1 2331728926 UTJOCEDHGFNKJG-UHFFFAOYSA-N 445.523 5.061 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)cc(Cl)c1OC(=O)COC 2331860967 NTIXTFPSPSWBKR-UHFFFAOYSA-N 443.710 5.493 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)c1cccnc1 2331864075 VLWLRWNJNPRITI-UHFFFAOYSA-N 428.271 5.512 30 10 IKEE CN[C@@H](C#CC1(SC)CCC1)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2336243149 INVQLBRVTRQQFV-KRWDZBQOSA-N 439.419 5.346 30 10 IKEE CC[C@@H](C)[C@@H](COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339580660 FCHGBUTWATYSAF-IEBWSBKVSA-N 446.397 5.044 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1c(C)c(C)c(Br)c(C)c1C 2345961351 IKHBJHAIKROXSW-QFBILLFUSA-N 425.411 5.413 30 10 IKEE CCCCCCCCC[C@H](NCC)c1sc(Cl)cc1I 2363958271 MADPZFCDZJEXNE-AWEZNQCLSA-N 427.823 6.797 30 10 IKEE CC(C)(C)OC(=O)N[C@@]1(C)C[C@H]2CC[C@H]1C[C@@]2(C#N)Nc1ccc(Br)cc1 2381196029 HLXQNDNBQLFUHG-YQMDMEMYSA-N 434.378 5.227 30 10 IKEE COc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2Cl)C2=C(CC(C)(C)CC2=O)N3)cc1 9597382 YVUYQXCLOWMDBF-HXUWFJFHSA-N 433.939 5.939 30 10 IKEE CC(C)Oc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 20884732 JZQSIDRYOJUUBD-NZQKXSOJSA-N 431.576 5.776 30 10 IKEE C/C(CCc1oc2c(Br)cc(C)cc2c1-c1ccc(C)o1)=N\NC(N)=S 27572237 DLNADPOIODKSMT-SSDVNMTOSA-N 434.359 5.214 30 10 IKEE CC(C)[C@H](C(=O)O[C@@H](C#N)c1ccc(O)c(Oc2ccccc2)c1)c1ccc(Cl)cc1 31502253 GMAXTTBMQATUEV-ZEQRLZLVSA-N 435.907 6.386 30 10 IKEE CCCn1cc(CN/C(=N/C(=O)c2cc(C)cc(C)c2)Nc2cccc(C)c2C)c(C)n1 32973025 WSKRQVABBASWJS-UHFFFAOYSA-N 431.584 5.233 30 10 IKEE O=C1N/C(=N\N=C\c2ccccc2)S/C1=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 33567724 SYJDLAVALMEKLP-UGWHWXBPSA-N 442.327 5.847 30 10 IKEE COc1cc(/C=C2\C(=O)ON=C2c2ccccc2)ccc1OCc1c(F)cccc1Cl 35174614 KBOOIAOTRZIBMM-ATVHPVEESA-N 437.854 5.411 30 10 IKEE CCn1cc(C(=O)Nc2sc3c(c2C#N)CCCC3)c(=O)c2ccc(Cl)c(C)c21 40359795 SEUUNDSXAZNZKM-UHFFFAOYSA-N 425.941 5.048 30 10 IKEE CCCCCCCCCC(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccc(F)cc2)cc1 98021314 BBFGQDJEHFMWER-VWLOTQADSA-N 442.600 6.684 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(N2CCN(CC)CC2)c1N 101512253 BVXYFIALSGJDJZ-UHFFFAOYSA-N 446.728 6.094 30 10 IKEE C=C(C)C(=O)NCc1nc2ccccc2n1CCCCCCCCCCCCCCCC 102130677 CEUSQXHOQQMICY-UHFFFAOYSA-N 439.688 7.710 30 10 IKEE CCc1ccccc1N/C=C1\C(=O)c2sccc2N(Cc2ccc(C)cc2)S1(=O)=O 105336561 FHUUYNQOKCRINH-KGENOOAVSA-N 438.574 5.105 30 10 IKEE COc1cccc(/C=C2/Oc3cc(OCc4c(F)c(F)c(F)c(F)c4F)ccc3C2=O)c1 110527338 GHJGGWLYXIKVLF-CAOOACKPSA-N 448.343 5.586 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2cc(C)ccc2C)c1 169932943 LTWNQSHRTXSWOW-XMMPIXPASA-N 443.499 5.104 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccc(OC(C)C)c2)ccc1F 169979718 LDTLYIRVUUAMSH-XMMPIXPASA-N 445.490 5.704 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccccc2C)c1 170037602 RRDWWPLAAAVPTD-AREMUKBSSA-N 441.527 5.496 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(F)cc2)cc1C 170062434 UTRVBQVCKPTUFK-QFIPXVFZSA-N 446.434 5.134 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2Cc2ccco2)cc1 170067220 HKNLUPIJCNDBAU-DEOSSOPVSA-N 443.499 5.116 30 10 IKEE CCOc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccco2)c1 170097782 AMHOSADTLXMFMT-NRFANRHFSA-N 437.879 5.110 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C2CCCCC2)cc1 170114856 OKHVDVTYLZFHHW-VWLOTQADSA-N 441.527 5.759 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(C(C)(C)C)cc1 170149903 UOLVQTSUKXHAJC-RUZDIDTESA-N 441.571 6.516 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@@H]1c1cccs1 170158875 PSUZFJVZPBQAIT-JOCHJYFZSA-N 433.529 5.465 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccccn2)c1 170170081 MMGUIMGGYQICTQ-DEOSSOPVSA-N 442.515 5.270 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccc2)cc1C 170222842 DBCOJUSUFMEUIN-QHCPKHFHSA-N 431.463 5.316 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(F)cc2)cc1C 170238416 MWOCPQPSXYILTG-QHCPKHFHSA-N 449.453 5.373 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccccc1F)c1ccc2ccccc2c1 170251424 JJSHEVNOCLLHJG-DEOSSOPVSA-N 438.458 5.152 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3OC)=C(O)C(=O)N2c2ccccc2)cc1 170265411 BURSJWLRCFSKQP-XMMPIXPASA-N 443.499 5.049 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccco2)c1 170282572 YBDNWVOOUWGREL-HSZRJFAPSA-N 431.488 5.467 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@H]1c1ccco1 170295048 DQNPOXMUYXNFAN-LJQANCHMSA-N 436.533 5.480 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(C)o2)c1 170300507 UAAKAADXROHAQD-QMHKHESXSA-N 429.472 5.003 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2sccc2C)cc1 170315204 YKCHBIJSYHSLAX-HSZRJFAPSA-N 439.536 6.301 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2sccc2C)c1 170319540 UQDSYZZWNSYMFI-LJQANCHMSA-N 445.968 5.630 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2c[nH]c3ccccc23)cc1 170383367 IIWGJZHNWAXYFZ-RUZDIDTESA-N 436.511 6.074 30 10 IKEE Cc1ccc(C(=O)CCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1C 170494098 WYRRFAWZGYEAGX-UHFFFAOYSA-N 448.522 6.704 30 10 IKEE C=C(C)CN(CC)C(=O)CSc1nnc(-c2cccs2)n1[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 249883323 BHBBCUOJRSLMCH-CADBVGFASA-N 444.670 5.521 30 10 IKEE O=C1CCCC/C1=C1\SC(=Nc2ccccc2)C(=Nc2ccccc2)N1c1ccccc1 252629912 UQFVZTVHLXGIEC-LJKYRGLPSA-N 437.568 7.055 30 10 IKEE Cc1ccc(N=C2Sc3nc4cc(C)cc(C)c4cc3CN2CCN2CCOCC2)cc1 254705791 CHGRYVDOMCDAOT-UHFFFAOYSA-N 446.620 5.088 30 10 IKEE Cc1cc(C)c2oc(-c3cccc(N=Cc4cc([N+](=O)[O-])cc([N+](=O)[O-])c4O)c3)nc2c1 254824924 OSNCSIKUXNSGCE-UHFFFAOYSA-N 432.392 5.384 30 10 IKEE COc1cc(/C=C2/SC(=Nc3ccccc3)N(c3ccccc3)C2=O)ccc1OC(C)=O 254852706 LCIYFIZWHQTBJU-MPVWDOOLSA-N 444.512 5.429 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=S)NC2CCCCC2)cc1 263632567 TZUCEZLTSYQAKJ-UHFFFAOYSA-N 445.588 5.498 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3Cl)[C@@H]2c2ccc(F)cc2)c1 526522647 RGCWREQUEYOUJV-NRFANRHFSA-N 439.273 6.061 30 10 IKEE COc1cc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccco2)ccc1OCC(C)C 526610008 ZUOSXPJECIXESF-DEOSSOPVSA-N 444.487 5.252 30 10 IKEE Cc1ccccc1NC1=C(Sc2ccc(Cl)cc2)C(=O)N(c2ccc(C#N)cc2)C1=O 526665529 MEACURGTRQAZBS-UHFFFAOYSA-N 445.931 5.509 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1/N=C\c1ccc(OCC)cc1OCC 526802869 MFKJCKHTOBPAJH-MYYYXRDXSA-N 442.560 5.342 30 10 IKEE C=C(C)CN(c1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccc(OC(C)C)cc1 586256421 JXGDRWVJGQMSBP-UHFFFAOYSA-N 428.598 5.236 30 10 IKEE C[C@H]1C[C@@H](C)CN(C(=O)Nc2ccc(C(=O)Nc3scc(C(C)(C)C)c3C#N)cc2)C1 586681031 VCJVFUVOABKTLB-IYBDPMFKSA-N 438.597 5.679 30 10 IKEE C#CCCCCC[C@@H](NCCC)c1cc(Br)ccc1I 686694475 AOKJUKRVWHYZAE-QGZVFWFLSA-N 448.186 5.678 30 10 IKEE COc1ccc([C@@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)cc1Br 698410637 ZXMVWCDKGLLVGO-GOSISDBHSA-N 431.330 5.460 30 10 IKEE COc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)c(Br)c1 698889537 DFNFJXOHZQJQNU-GOSISDBHSA-N 435.293 5.603 30 10 IKEE Cc1ccc(C)n1-c1ccc(N=Cc2cc(Br)c(N3CCOCC3)o2)cc1 1084575202 FVVLWYRXVMYWRV-UHFFFAOYSA-N 428.330 5.037 30 10 IKEE CCCCC(C)=NNc1nc(SCCC(=O)Nc2c(Cl)cccc2Cl)n[nH]1 1084657434 VRAUKNLLIQTFDB-UHFFFAOYSA-N 429.377 5.210 30 10 IKEE CCc1ccc([C@@H](C#N)NC(=O)CNc2nc(C)nc3sc(-c4ccccc4)cc23)cc1 1160225995 NVDVVLRNDREORW-OAQYLSRUSA-N 441.560 5.022 30 10 IKEE C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@@]2(C)[C@@H]1CCc1ccoc1CNC1CCCCC1 1565535276 UOIHMGVGVVIAEA-VXGLHPTQSA-N 441.656 6.586 30 10 IKEE COC(=O)c1ccccc1C(=O)ON=C1CC(C)(C)Cc2c1cc(C)n2-c1ccccc1 1772728258 BCAORGBRNNQKRZ-UHFFFAOYSA-N 430.504 5.106 30 10 IKEE O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=Nc2ccccn2)N1C1CCCCC1 1772730613 DQLHOGKIFYNBKR-SCORJZKRSA-N 432.376 6.325 30 10 IKEE O=Cc1cnc(-c2c(F)c(F)c(F)c(F)c2F)c(-c2c(F)c(F)c(F)c(F)c2F)c1 1848358479 HSRCVXZTKVMRIB-UHFFFAOYSA-N 439.208 5.619 30 10 IKEE C[C@@]12CC[C@@H](OS(C)(=O)=O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)C(c3cccnc3)=CC[C@@H]12 1857788220 LSAACYNNLMENON-GUQVHUPFSA-N 427.610 5.383 30 10 IKEE Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2/C=N\NC(=S)Nc2cccc(C)c2)cc1 1857808673 IZJKLXJAJHDUCW-DICXZTSXSA-N 443.551 5.616 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc3c(OC(=O)c4ccc(Cl)cc4)cccc23)c1 1858930255 ZQPHOMVNQDUIRT-UHFFFAOYSA-N 426.859 5.836 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)c1ccc2nc(CC)[nH]c2c1)[C@@H](C)CC 1860963435 FOYDUVYGLUUDDD-CYFREDJKSA-N 442.648 5.527 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@H]1c1ccccc1F 1862390667 JKAAEYSFEYTQFE-XMMPIXPASA-N 437.555 6.327 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@H]2c2ccccc2[N+](=O)[O-])cc1 1862392901 IQSKYMWOFVPCHF-QFIPXVFZSA-N 436.508 5.316 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2ccc(F)cc2)c1 1862413127 WGMOLNAUBWIIBV-QFIPXVFZSA-N 437.417 5.191 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(C)cc1 1862456591 VRBIDSKSXYGPLT-OAQYLSRUSA-N 431.454 5.571 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc3ccccc23)cc1 1862481201 ZFLJWIXTUADVJI-VWLOTQADSA-N 434.495 5.322 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccccc2C)ccc1F 1862507160 FLWKDTFJAALBRD-HSZRJFAPSA-N 433.454 5.360 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1C 1862580274 GBWBXURRXUSCJV-NRFANRHFSA-N 446.374 6.460 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(N(C)C)cc1 1862582602 IQPPMOHZEYJDKQ-IBGZPJMESA-N 433.335 5.046 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1c(F)cccc1Cl 1862593414 SXUXJIDTLJOJBZ-HXUWFJFHSA-N 431.891 5.343 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1c(Cl)cccc1Cl 1862624226 USUIVLBWSXKUSI-FQEVSTJZSA-N 444.358 6.055 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccccc2)cc1F 1862637256 WBDONZSPJVZRFS-MWTRTKDXSA-N 431.463 5.174 30 10 IKEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccccc1Cl)c1cccc2ccccc12 1862654190 WSCVOYUWYPCYFP-SBUREZEXSA-N 447.918 5.251 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862660728 PTAIOCYLORNOKM-AREMUKBSSA-N 439.555 6.205 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2cccc(F)c2)cc1 1862686945 DFINXDJMKFABRE-MWTRTKDXSA-N 431.463 5.174 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862691061 XISMXGVPWFHWTL-BUXKBTBVSA-N 434.319 5.379 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc2cc[nH]c2c1 1862691518 OOXIASVLBHLLRM-HSZRJFAPSA-N 432.520 5.335 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1cccc(C)c1 1862699189 RPWLDDRAPKDDQU-ZJSXRUAMSA-N 435.564 5.941 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862702275 AIRUWHRDFWAXND-IQGLISFBSA-N 441.527 5.597 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862713296 MAQNDCBFWMOMSM-AREMUKBSSA-N 433.507 5.927 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1Cl 1862760217 JDHKRLYSPISAME-GOSISDBHSA-N 449.290 5.280 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3c[nH]c4ccccc34)C2=O)cc1C 1863121753 KOJWVXSUIQUCDG-UHFFFAOYSA-N 432.483 5.053 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)c(Cl)c2)=C(c2ccc(C)cc2)C1=O 1863263649 DJBRGTNVKXUBIX-UHFFFAOYSA-N 442.962 6.340 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)CCCOc2ccccc2Cl)c1 1865934565 AQSAOEXROPAKBL-UHFFFAOYSA-N 432.907 5.549 30 10 IKEE CCCCCCCCCCn1cc(OCC2CCCCC2)c(=O)cc1CSC(C)C 1870276563 WTGGFCDLFCSFBW-UHFFFAOYSA-N 435.718 7.590 30 10 IKEE CCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN(C)Cc1ccccc1 1870349430 NRVKYKLDVIEHBB-UHFFFAOYSA-N 429.564 5.121 30 10 IKEE CCCCCCCOc1cn(CCCOCC)c(CNc2cc(C)cc(C)c2)cc1=O 1870830370 KYUSGFAZLMUMPU-UHFFFAOYSA-N 428.617 5.853 30 10 IKEE N#Cc1cccc(NC(=O)Cc2csc(-c3ccc(Oc4ccc(F)cc4)cc3)n2)c1 1871278296 UYAWDROFRNVGRP-UHFFFAOYSA-N 429.476 5.794 30 10 IKEE CCCCC[C@@H](CC)N1COc2c(cc3c(c2C)O/C(=C\c2cccc(OC)c2)C3=O)C1 1871353545 SAHPLSOISKKBBQ-ZPZBNPFISA-N 435.564 6.131 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(F)c(F)c4F)cc(C)c3C2=O)cc1 1871370686 ZKUKKGYVUAFIOI-GRSHGNNSSA-N 440.373 5.256 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(OC)c2)C3=O)c1 1871387507 ZANYGUZTWLGFBJ-UCQKPKSFSA-N 430.456 5.238 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc(OC(=O)CCc4cccs4)c3C)C2=O)cc1 1871392463 YBYGUWBDNVBVCD-JCMHNJIXSA-N 434.513 5.610 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCCCOc3ccccc3)cc(C)c2C1=O 1871398084 IABWTQMJSBSIPO-UQQQWYQISA-N 430.500 5.858 30 10 IKEE Cc1c(OCCOc2cccc3ccccc23)ccc2c1O/C(=C\c1cccs1)C2=O 1871415797 SZZYJAJCHWPWBF-JLPGSUDCSA-N 428.509 6.284 30 10 IKEE Cc1cc(OCC(=O)Nc2cccc3ccccc23)cc2c1C(=O)/C(=C/c1ccccc1)O2 1871452862 TUSXNDBXIZQBIN-MYYYXRDXSA-N 435.479 5.782 30 10 IKEE CCN(CC)C(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(Cl)cc1Cl)C2=O 1871460882 JLHGZXJGBUDLEB-GRSHGNNSSA-N 434.319 5.165 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 1871878908 HVJBKHIEIKBPFI-JOCHJYFZSA-N 449.016 5.413 30 10 IKEE C=CCN([C@H](CCC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1871888838 FUTLIDUOIIMXTL-HSZRJFAPSA-N 442.625 5.213 30 10 IKEE N#C[C@H](C(=O)/C=C/c1ccc(Cl)cc1Cl)c1nc(-c2cccc(Cl)c2)cs1 1872766508 KLIUHBPFKVJKCF-BIENSFFJSA-N 433.747 6.660 30 10 IKEE N#C[C@H](C(=O)C(c1ccccc1)c1ccccc1)c1nc(-c2cccc(Cl)c2)cs1 1872767701 YITYFOMKJSROIC-OAQYLSRUSA-N 428.944 6.472 30 10 IKEE COc1c(Cl)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)COc2ccccc2)n1 1872778774 UAHWSLKBPYTDRO-OAHLLOKOSA-N 433.316 5.381 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@H](C#N)C(=O)Cc2ccc(Cl)cc2)n1 1872784849 YXJOVZLIJPIXOV-MRXNPFEDSA-N 431.344 5.853 30 10 IKEE COc1c(Cl)cc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)nc3)n2)cc1Cl 1872785687 SWIGYJFIPSIEKA-NSHDSACASA-N 438.723 5.664 30 10 IKEE C=CCNC1=C(c2ccc(-n3cccc3)cc2)C(=O)N(CCCCCCCCCC)C1=O 1873037253 HXDAYUFTCLWLJU-UHFFFAOYSA-N 433.596 5.474 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(Cl)c2C)cc2c(NCCCOC(C)C)ncnc21 1873628445 BWEIJYFSSBVYGB-UHFFFAOYSA-N 441.963 5.058 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)c(Cl)c2)cc2c(N(C)CCCC)ncnc21 1873665972 WNAVGZPHFZXWCD-UHFFFAOYSA-N 432.355 5.413 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1c[nH]c2ccccc12 1874230825 DSOYWGJQXPADLM-DHRITJCHSA-N 437.956 5.461 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2ccc(O)cc2)cc1C 1874358435 HVXMXSKWAUEFFS-OVVQPSECSA-N 442.588 5.408 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2cccc(Cl)c2)cc1 1874415552 WBHRYISQUDNJCZ-WGOQTCKBSA-N 432.980 6.005 30 10 IKEE Fc1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2ccc(Cl)cc2)cc1 1874420744 BRULASDHBDRWGV-FSJBWODESA-N 428.945 5.974 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SCC)nnc2-c2cccs2)cc1OC 1874423664 XYSROHWMXASJOY-PXLXIMEGSA-N 430.599 5.578 30 10 IKEE CCOc1cc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C(C)(C)C)ccc1O 1874485874 QKVGWJLWBMXDRR-ZMOGYAJESA-N 444.988 5.508 30 10 IKEE CC(C)Cc1nnc(SCc2ccccc2)n1/N=C/c1cc(Br)ccc1O 1874490018 VUCLMLIMQLKADN-WSDLNYQXSA-N 445.386 5.119 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C2CCC2)cc1 1874495059 RUEBRCUMHWZETE-WGOQTCKBSA-N 437.588 5.705 30 10 IKEE CC(C)c1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1cccc([N+](=O)[O-])c1 1874515097 PRLUBKDWNCSNOA-LSHDLFTRSA-N 433.896 5.277 30 10 IKEE CCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1/N=C/c1ccc(C(C)(C)C)cc1 1874521755 KDFRZBIJBTZVGA-CVKSISIWSA-N 449.624 5.368 30 10 IKEE O=C(/C=C/c1c(OCc2ccccc2)ccc2ccccc12)c1ccc(-c2ccccc2)cc1 1874570157 QBLVRMFBVVNOFY-QZQOTICOSA-N 440.542 7.982 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c1OCC(=O)NCc1ccco1 1874583161 ZPRTXNSVYGGVJL-NTCAYCPXSA-N 447.531 5.177 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC)c1OCc1ccccc1C 1874584720 CFDHONSXBBIZRC-JQIJEIRASA-N 444.571 6.785 30 10 IKEE C=CCOc1c(OC)ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c1Br 1874592779 BMRUSYHKZKFRQV-FYWRMAATSA-N 449.344 6.586 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OCC(=O)Nc1ccccc1C 1874596423 VKIMQJQJRJBMRJ-ACCUITESSA-N 429.516 5.534 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 1874600067 QWVVXWSQJIFPMR-RVDMUPIBSA-N 429.516 6.676 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)c1OCc1ccc(F)cc1 1874618171 NIAVEWOECJBPMW-FMIVXFBMSA-N 438.926 6.970 30 10 IKEE C=CCOc1ccc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)cc1Br 1874628524 IGQAFWRAFCCUQF-GQCTYLIASA-N 442.136 6.225 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OCC(=O)Nc1ccccc1 1874629782 UKFUSFHHHUSYDI-ACCUITESSA-N 443.543 5.842 30 10 IKEE COc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc(C)cc3C)ccc2OC)cc1OC 1874701339 NNBGLQPUOAVINO-YRNVUSSQSA-N 446.499 5.445 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc4cc(Cl)ccc4n3)c2)c(C)c1 1874702549 WSMYLNXUQVMKAS-NTUHNPAUSA-N 441.914 6.620 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(OC)c1OC(=O)c1cnc(C)cn1 1875101366 MJSAQMWTEVAFEF-JLHYYAGUSA-N 442.515 5.200 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1)c1ccc(Br)cc1 1875111283 CFDURHJVQLUGNJ-VGOFMYFVSA-N 441.708 6.218 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] 1875124546 QCDRVHVYQVEPSR-PKNBQFBNSA-N 437.835 5.372 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OC(=O)[C@@H](C)c1ccccc1 1875126968 IQEFSOZWTJLOKZ-JJJPLKNQSA-N 434.919 6.344 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2Br)cc1 1875128459 ZRGSYUACLMZCQJ-ACCUITESSA-N 435.317 5.802 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2OC)cc1 1875136286 HPSUKAIZDZIRFG-VIZOYTHASA-N 446.499 5.283 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(C(F)(F)F)cc2)c(Cl)c1)c1ccc(F)cc1 1875158154 IAWGWWKBCAEHHB-QQDOKKFESA-N 448.799 6.613 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2OC)cc(Cl)c1OC(=O)C(C)C 1875176812 RRYAKAUNUUWRLF-JXMROGBWSA-N 432.900 5.213 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cc(C)ccc3C)cc2)c(OC)c1 1875179065 QZPLSFBFGBLEJW-NTEUORMPSA-N 430.500 5.365 30 10 IKEE Cc1ccc(Oc2ccc(S(=O)(=O)N3CCC(C#N)(c4ccccc4)CC3)cc2)cc1 1891744524 XNOPEFOMGZCPGL-UHFFFAOYSA-N 432.545 5.033 30 10 IKEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1c2ccccc2cc2ccccc12 1891915633 MYADQKZIWCWPLL-UHFFFAOYSA-N 433.429 5.824 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)OC(C)(C)C 1922085269 HPEACXAWAYFCPA-SBFWRKJZSA-N 428.617 5.306 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)C1 1944696673 BNUSNWZWAVYKGH-APWZRJJASA-N 433.524 5.106 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1C[C@H]2CCC[C@@H]2N1C(=O)OC(C)(C)C 2000626235 LAEQMGWYFFYOBH-SBFWRKJZSA-N 428.617 5.306 30 10 IKEE C=C1CC(C[C@H](NCC)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)C1 2011042203 RTFCZLHRPSTHQF-OZXSUGGESA-N 428.617 5.165 30 10 IKEE CCCCCCCCCCCC[C@H](O)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2034423936 AOKNJSBPPQFWGL-RPBOFIJWSA-N 449.676 6.768 30 10 IKEE O=C1NC(=NC2CCCC2)SC1=Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 2053514519 OVLAHWVJHUASEP-UHFFFAOYSA-N 427.457 5.029 30 10 IKEE COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CCC(=NO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 2055457296 UKXCLLYLCRBBDH-WSVQCUFFSA-N 441.656 6.765 30 10 IKEE C=C(C)CC[C@H](NCCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071266736 HXSAQXVRBSMOPI-MHZLTWQESA-N 429.604 7.242 30 10 IKEE C=C1C[C@H]1C[C@H](NCCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071267885 USUNVPCZNVHQQI-SVBPBHIXSA-N 427.588 6.852 30 10 IKEE Cc1ccc([C@H](n2nc(C(C)C)c(C#N)c2I)C(C)(C)C)c(F)c1 2079042069 DGWDFRGCRYVCQX-KRWDZBQOSA-N 439.316 5.566 30 10 IKEE CCCCCC#CC[C@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 2083432758 CUBADPUJGSDGGM-JWQCQUIFSA-N 444.660 5.829 30 10 IKEE COc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)c(C)c1 2143772210 XPCGAVWNDSZBFM-IBGZPJMESA-N 431.330 5.773 30 10 IKEE CC(C)C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1Nc1ccc(Br)cc1C#N 2149853417 UFFLAQIUZCKWET-QFBILLFUSA-N 436.394 5.404 30 10 IKEE C=CCN(CC[C@H](Cc1ccc(C)c(Br)c1)NCCC)C(=O)OC(C)(C)C 2155517092 QJNQKDIZFLELQQ-LJQANCHMSA-N 439.438 5.481 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@@H]2Nc2ccc(Br)c(C#N)c2)C1 2156240991 FVQQQNHMLOIQKZ-RXVVDRJESA-N 434.378 5.302 30 10 IKEE C=CCN(CC(=C)Br)C(=O)[C@H](CNC(=O)OC(C)(C)C)CC1CCCCC1 2180912446 NIIIAAXSZJITPX-SFHVURJKSA-N 443.426 5.021 30 10 IKEE CCC#CC[C@@H](NCCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237415112 NDQUGSJAYUSSED-WOJBJXKFSA-N 437.422 5.057 30 10 IKEE C#CCCN(C(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 2243924774 LNVHSGZRWNBMLO-AREMUKBSSA-N 446.591 5.200 30 10 IKEE O=C(C=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)cc1Cl 2294737345 CHZLDNRUXDPLCO-UHFFFAOYSA-N 428.159 6.840 30 10 IKEE CCc1ccc(NC(=O)OC(C)(C)C)c(C(=O)C#Cc2cccc(Br)c2)c1 2296231963 JGYSEGBZLUUDBZ-UHFFFAOYSA-N 428.326 5.593 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O)c1cccs1 2296872138 WAXGYPVOTDROEF-UHFFFAOYSA-N 440.860 5.103 30 10 IKEE COc1ccc(-c2nc3cc(N=CC=Cc4ccccc4)ccc3o2)cc1Br 2297096209 CAUNZQPNEDHVSW-UHFFFAOYSA-N 433.305 6.682 30 10 IKEE O=C(C=Cc1ccc(COc2ccccc2Br)o1)C12CC3CC(CC(C3)C1)C2 2297549481 KCOGYQPRQBOSCW-UHFFFAOYSA-N 441.365 6.420 30 10 IKEE CCCN[C@H](C#Cc1nc(C)cs1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2300824167 KVHNOYFVKCGHIS-QFIPXVFZSA-N 441.641 5.389 30 10 IKEE C=CC[C@@H](C)[C@H](NCC)c1sc(Br)c(Br)c1Br 2304046783 VJKPYGAFDTXTKJ-XCBNKYQSSA-N 446.046 5.898 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)cc3)c(OC)c2)c1 2314429498 IOACNQPPBYRLQM-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE CCOc1ccc2oc(C)c(C(=O)Oc3ccc(C(=O)C=Cc4ccc(C)cc4)cc3)c2c1 2314429874 QSURDJDUPASDEO-UHFFFAOYSA-N 440.495 6.564 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2319198592 BAPMKSNHSRMQEU-POAQFYNOSA-N 447.551 5.543 30 10 IKEE COC(=O)c1ccc(C=C2Oc3c(ccc(OCc4cc(C)ccc4C)c3C)C2=O)cc1 2321758143 VUCPGIYFZBRIDY-UHFFFAOYSA-N 428.484 5.594 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(Cl)cc1)O3)CN([C@@H](C)c1ccccc1)CO2 2322092409 ZAHWHFCMOXLQSM-KRWDZBQOSA-N 431.919 6.178 30 10 IKEE CCCCOc1ccccc1C=Nn1c(S)nnc1COc1ccc(Cl)c(C)c1 2322211066 UYROLNCDAFVYCI-UHFFFAOYSA-N 430.961 5.169 30 10 IKEE COc1cccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2ccc(C)cc2C)c1 2322377490 SWFXVLLFNNWKFM-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(F)cc2F)c1OCc1ccc(F)cc1 2322501909 VRSKXRISFSTDHW-UHFFFAOYSA-N 432.825 6.241 30 10 IKEE O=C(C=Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1)c1ccc([N+](=O)[O-])cc1 2323098234 DQCWVDHLJRXVER-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2)Oc2cc(OC(=O)c3c(F)cccc3Cl)ccc21 2323353073 DNRYHRQNNTYTLK-UHFFFAOYSA-N 429.230 5.968 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2OCC)C3=O)cc1 2323370606 WLJFTPCATUMSNX-UHFFFAOYSA-N 444.483 5.248 30 10 IKEE Cc1c(OC(=O)c2cccc3ccccc23)ccc2c1OC(=Cc1ccc(N(C)C)cc1)C2=O 2323481688 XRQGSUMASWEKLH-UHFFFAOYSA-N 449.506 6.050 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccc(C)cc1 2323692143 HHHIGTPXMYSHSR-UHFFFAOYSA-N 443.499 6.115 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 2323896035 DLEICYJOXRUIFH-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(OC)c1OCC(=O)N(CC)CC 2323985371 LIKCESAUCBZLDX-UHFFFAOYSA-N 439.527 5.015 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccc(OCC(=O)OCC(C)C)cc1 2324319303 MFHCWFZPZPTJJD-UHFFFAOYSA-N 437.319 5.476 30 10 IKEE COc1cccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccc(C)cc4)ccc3C2=O)c1 2324372144 GPTZXNJVHXALBC-KRWDZBQOSA-N 429.472 5.026 30 10 IKEE COc1ccc(OC)c(C=C2Oc3c(ccc(OCCOc4ccc(C)cc4)c3C)C2=O)c1 2324538525 DDOIRSGETMMYJV-UHFFFAOYSA-N 446.499 5.395 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)C=Cc2ccccc2Cl)n1 2324781178 MWNXZWHUJNRDMZ-KRWDZBQOSA-N 443.355 6.324 30 10 IKEE CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccccc2)C3=O)c1 2324825817 YANKXPLSBHDKTN-SFHVURJKSA-N 441.483 5.220 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4cccc(Cl)c4C)cc(C)c3C2=O)cc1 2325054846 RAOCAYJHBXXCGY-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE Cc1ccccc1C=Nn1c(Cc2ccccc2)nnc1SCc1cccc2ccccc12 2325490762 HTAUHCIAMYCZLY-UHFFFAOYSA-N 448.595 6.505 30 10 IKEE CCN(Cc1ccccc1)c1ccc(C=Nn2cnnc2SCc2ccc(C)cc2)cc1 2325648443 BRHCOYWZHPBZED-UHFFFAOYSA-N 441.604 5.788 30 10 IKEE COc1cccc(C(=O)Oc2cccc(C=CC(=O)c3cc(C)c(Cl)cc3OC)c2)c1 2325763379 PXIHYTUOMFANKV-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE C=CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1ccc(F)cc1 2325905603 GKIVNVOXQYRMCG-UHFFFAOYSA-N 438.572 5.762 30 10 IKEE CC(C)COc1c(Cl)cc(C=Nn2cnnc2SCc2ccccc2)cc1Cl 2326208096 ALVUWMONAMQQDY-UHFFFAOYSA-N 435.380 5.794 30 10 IKEE CCCOc1ccc(C=Nn2c(CC)nnc2SCc2ccc(C(C)(C)C)cc2)cc1 2326323691 CQSDGLPQZCHKFI-UHFFFAOYSA-N 436.625 6.101 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2ccccc2)n1N=Cc1ccccc1F 2328558353 QDLRDVVPYNYLCU-UHFFFAOYSA-N 446.551 5.788 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1cn(C)c2ccccc12 2328567057 GOSHPCWQNOLERF-UHFFFAOYSA-N 445.592 5.310 30 10 IKEE Oc1ccc(C=Nn2c(Cc3ccc(Cl)cc3)nnc2SCc2ccccc2)cc1 2329101118 IBHUXTOOJUFTME-UHFFFAOYSA-N 434.952 5.402 30 10 IKEE Cc1ccc(Cc2nnc(SCCCO)n2N=Cc2ccc(Cl)cc2Cl)cc1C 2329453131 MCLUCTZPWXPMST-UHFFFAOYSA-N 449.407 5.149 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2-c2ccccc2Cl)cc1 2329523384 RQSXNGAXKOLAQM-UHFFFAOYSA-N 448.979 6.090 30 10 IKEE Cc1ccsc1C=Nn1c(Cc2ccccc2F)nnc1SCc1ccccc1F 2329743435 JGHDXMQWQWMTCW-UHFFFAOYSA-N 440.544 5.692 30 10 IKEE Cc1ccc(C=Nn2c(COc3ccccc3)nnc2SCc2ccccc2Cl)cc1 2329919388 PCBXWSOHZBDOLG-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2)n1N=Cc1ccc(OCCCC)cc1 2330193665 UQBRZEJSDCAYQS-UHFFFAOYSA-N 434.609 5.793 30 10 IKEE CCCCOc1ccc(C=Nn2c(Cc3cccs3)nnc2SCC)cc1OCC 2330367228 GFBQGXSQASDNIX-UHFFFAOYSA-N 444.626 5.502 30 10 IKEE CCN(CC)C(=O)CSc1nnc(-c2ccccc2)n1N=Cc1ccc(C(C)(C)C)cc1 2330625024 JYQVQRLHFWBVKT-UHFFFAOYSA-N 449.624 5.085 30 10 IKEE O=C(CSc1nnc(-c2ccccc2)n1N=Cc1ccccc1Cl)Nc1ccccc1 2330627663 BMHITTKHOPEXBT-UHFFFAOYSA-N 447.951 5.212 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)cc1OC 2330707517 PEEFUQQDORUSFA-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2ccc(C)cc2)nnc1C(F)(F)F 2331108713 BKRQSVRYZKTGOU-UHFFFAOYSA-N 432.471 5.345 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(OCC)c3)c(OC)c2)cc1 2331212941 RZHZKMPQAWZOGB-UHFFFAOYSA-N 446.499 5.608 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2Cl)cc1 2331222480 GMRRDSIIFYLBED-UHFFFAOYSA-N 448.902 5.997 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)c(C)c3)c(Cl)c2)cc1 2331304115 LYPUHUUFBFARSI-UHFFFAOYSA-N 448.946 6.861 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3Cl)c(Cl)c2)ccc1F 2331337144 BSMGFOGXMZRHEI-UHFFFAOYSA-N 429.274 6.556 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3OC)cc2)cc1 2331352387 PMKOALBKEULGEW-UHFFFAOYSA-N 446.499 5.283 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)c1cccc(C)c1 2331489055 UQVDPCBFVGMYHF-UHFFFAOYSA-N 448.946 6.896 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2ccccn2)cc1 2331635334 MXBDHMOCYLDXTP-UHFFFAOYSA-N 428.271 5.512 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3-c3ccccc3)cc2)cc1C 2331704890 UMGGQLWARDZWIF-UHFFFAOYSA-N 432.519 7.086 30 10 IKEE Cc1cc(I)c(Oc2ccc(C#N)c(Br)c2)cc1Cl 2336544282 SOILPOYDSIXBBA-UHFFFAOYSA-N 448.485 5.680 30 10 IKEE C[C@H](Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C(C)(C)CNC(=O)OC(C)(C)C 2339595930 FNORGVAYSSBIFA-CLVCIHKQSA-N 446.397 5.044 30 10 IKEE COCc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)s1 2352086369 BMSVCAGQQCDFJX-INIZCTEOSA-N 437.359 5.663 30 10 IKEE C[C@H](C#N)Sc1nc2sc3c(c2c(=O)n1-c1ccccc1C(F)(F)F)CCCC3 9334254 YNUZYKWWFQHTLP-LLVKDONJSA-N 435.496 5.349 30 10 IKEE COc1cccc(C(=O)/N=C(/OC(C)C)N(CCc2ccccc2)Cc2ccccc2)c1 16531103 KEZJSSBTKOLQKF-BYYHNAKLSA-N 430.548 5.361 30 10 IKEE C=CCn1c(S[C@@H](C)C(=O)O[C@H](C)CC)nc2scc(-c3ccccc3)c2c1=O 19651124 VOBPOODRQPTNFJ-CABCVRRESA-N 428.579 5.133 30 10 IKEE CCc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc3ccccc23)cc1 21229414 VLVLAOGUZNCACB-GTYOFVGBSA-N 444.578 7.382 30 10 IKEE N#Cc1cccc(C(=O)N2CCC(n3nc(-c4ccccc4)cc3-c3ccccc3)CC2)c1 23458031 KYTNHLFQDVXIDY-UHFFFAOYSA-N 432.527 5.566 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@@H]2c1cccc(Oc2ccccc2)c1 24543976 SAZSFFYOJFOQRI-NDEPHWFRSA-N 445.562 7.833 30 10 IKEE CCn1nc(C)c(CN/C(=N/C(=O)c2ccccc2F)Nc2ccc(C(C)C)cc2)c1C 32971799 YBSSUWXXCZWUPI-UHFFFAOYSA-N 435.547 5.180 30 10 IKEE Cc1ccc(-c2ccc(/C=C\C(=O)c3ccc(NC(=O)c4ccco4)cc3)o2)c([N+](=O)[O-])c1 33470737 LLERUYMPMICCLO-XFXZXTDPSA-N 442.427 5.905 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccccc2OC(=O)c2ccc(C(C)(C)C)cc2)c1 34955191 HUJZXPWSRODJEA-FOWTUZBSSA-N 444.527 6.117 30 10 IKEE Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1Nc1ncnc(NC(C)C)c1N 40688623 XNEDBXQIUACHDB-KRWDZBQOSA-N 441.366 5.893 30 10 IKEE COC(=O)c1ccccc1/N=C(/Nc1ccccc1C(=O)OC)SCc1ccccc1 59449677 WJBOJYWLNDXMCB-UHFFFAOYSA-N 434.517 5.293 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2O[C@H](C)CC)cc1 59530928 HUKXAHMBWTVVAI-SFGWALBWSA-N 433.548 5.267 30 10 IKEE CCCCCCCCCCCCCCCCCCOC(=O)NC[C@H]1CCS(=O)(=O)C1 59568248 HYSUTHJXDRCECK-HSZRJFAPSA-N 445.710 6.409 30 10 IKEE C[C@@H](Sc1n[nH]c(N/N=C/c2ccc(Cl)cc2Cl)n1)c1nnc(C2CCC2)o1 59878970 NZZZEZCTLJMVNU-GCYXGZDWSA-N 438.344 5.061 30 10 IKEE COc1ccc(/C=C\C(=O)c2ccccc2O)cc1CSc1nc2ccccc2s1 96576879 LRTHJUUMRZOLAX-BENRWUELSA-N 433.554 6.199 30 10 IKEE CCCCCCCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1OC 100133473 DZIRVTRHWSRBRZ-AREMUKBSSA-N 448.563 6.404 30 10 IKEE C=CCN1C(=O)/C(=C\c2cccc(OCCSc3ccc(Cl)cc3)c2)SC1=S 103433846 KKLJDZZSEAAHFU-XMHGGMMESA-N 448.034 5.898 30 10 IKEE CCCc1nnc(SCc2ccc(Br)cc2)n1/N=C\c1ccccc1F 135882086 AMKILXXLKAQSJZ-UUYOSTAYSA-N 433.350 5.307 30 10 IKEE COc1cc(/C=N/Nc2ccccn2)ccc1OCc1c(Cl)ccc(Cl)c1Cl 169877737 WDVNLNBPGPMSHK-OPEKNORGSA-N 436.726 6.075 30 10 IKEE CCOc1cc(/C=N\n2c(S)nnc2C(C)C)ccc1OCc1cccc(Cl)c1 169909703 CBRNMQXBZVHCDN-FMCGGJTJSA-N 430.961 5.204 30 10 IKEE COc1cc(/C=N\Nc2nc(-c3ccc(F)cc3)cs2)cc(Br)c1OC 169941896 JYCAMVAGIIIALX-NKVSQWTQSA-N 436.306 5.175 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2cccc(C)c2)c1 169968705 QKTWERDLCNNPJJ-XMMPIXPASA-N 443.499 5.185 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1cccc(C)c1 169972657 CQQMABROFQRTOS-HSZRJFAPSA-N 449.453 5.060 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2cccs2)cc1 169988587 OYPIPNOFEGZIDM-QFIPXVFZSA-N 433.529 5.152 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(F)(F)F)cc3)[C@H]2c2ccco2)c1 170095310 BECLFJJCCXJACC-FQEVSTJZSA-N 441.405 5.698 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@@H]1c1ccc(OC)cc1 170115988 BLWWROZPJLGTNZ-QHCPKHFHSA-N 437.536 5.206 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(O)cc2)c1 170131563 FCBBKJGEMHIAEX-HSZRJFAPSA-N 447.462 5.101 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2c2ccccc2C)c1 170142778 TWRMMKUHDBOTIQ-SANMLTNESA-N 437.539 5.965 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2cccs2)cc1 170156945 WHQGOSIFFMKVSX-FQEVSTJZSA-N 434.473 5.002 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccs1 170166253 QGOSXZLVVIBWKR-JOCHJYFZSA-N 435.545 5.295 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@@H]2c2cccnc2)c1 170185700 WERBHPIFUWGTOO-DEOSSOPVSA-N 442.515 5.269 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccncc2)cc1C 170202192 GKXHZDVMZFAXGJ-XMMPIXPASA-N 442.515 5.269 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccccc2)ccc1Cl 170223633 VVRMMWSDOSMQFE-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1c1ccc(C#N)cc1 170272765 WSFVBFSJVCUZMV-XMMPIXPASA-N 434.451 5.396 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1Cc1cccnc1 170274721 AIGVJNYQUIBQCB-RUZDIDTESA-N 438.527 5.047 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccco2)cc1C 170283098 QNNXMKPCUXDKNT-QHCPKHFHSA-N 431.488 5.468 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(Cl)c3)[C@H]2c2ccco2)c1 170285657 SRHKFZHOOBQXEV-HXUWFJFHSA-N 442.298 5.986 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccco2)c1 170286854 WPCYGKMPRVNMJZ-OAQYLSRUSA-N 437.879 5.503 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@H]1c1sccc1C 170318947 KOSJTHJLOKSVQD-FQEVSTJZSA-N 427.566 5.485 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1sccc1C 170319502 UCXBLWXCXCGOEM-GOSISDBHSA-N 431.941 5.239 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc3ccccc23)cc1 170369941 HVXMBNZCPRRKIC-SANMLTNESA-N 449.506 5.940 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2ccc(Cl)cc2)cc1 170453689 ZOJCDTPFMLTKQN-NRFANRHFSA-N 426.944 5.311 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1cccc(OCc2ccccc2)c1 170457442 BVMUWLGFJCAWKJ-XMMPIXPASA-N 441.527 5.781 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]1c1ccc(C(C)(C)C)cc1 170468604 NXZBSPPXTADHNQ-NRFANRHFSA-N 439.983 6.461 30 10 IKEE COc1cc2sc(N3C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]3c3cccs3)nc2cc1C 170477523 QDNRXXCSZJVKHW-QGZVFWFLSA-N 442.562 5.190 30 10 IKEE Fc1ccc(COc2ccc3ccccc3c2C=NNC(=S)NC2CCCCC2)cc1 254697083 KDGCRHRJPRVANC-UHFFFAOYSA-N 435.568 5.689 30 10 IKEE CCCCN(CCCC)CN1C(=O)C(=Nc2cccc(C(F)(F)F)c2)c2ccccc21 263627497 IDAINOIWKMGRKQ-UHFFFAOYSA-N 431.502 6.033 30 10 IKEE CC(C)(C)OC(=O)/C=C\[C@@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C 514268748 ZKSDXGULOGNJAQ-QVRHYYSPSA-N 447.531 5.757 30 10 IKEE CCOc1cccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccccc2)c1 526800173 ORVXVGZXQLFZNA-ITYLOYPMSA-N 428.561 5.442 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1ccc(OCC)c(Cl)c1 526803159 SYGBEQNXGDOSCP-QFEZKATASA-N 446.979 5.986 30 10 IKEE COc1c(Cl)cc(/C=N\n2cnnc2SCc2ccc(Cl)cc2)cc1Cl 526806861 YGNDEBZEZPUMBD-UYOCIXKTSA-N 427.744 5.421 30 10 IKEE Cc1cccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2cccc(C)c2)c1 526808939 RTQAELSZGXCLIK-IMRQLAEWSA-N 426.589 5.855 30 10 IKEE CCCOc1ccc(/C=N\n2c(C)nnc2SCc2c(Cl)cccc2Cl)cc1 526813923 GROJHENHUWTYBQ-FMCGGJTJSA-N 435.380 5.857 30 10 IKEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1cccc(OC(C)C)c1 526815201 YGGOVKDEIQABDK-KSEXSDGBSA-N 435.380 5.855 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccc(Br)cc1 526816674 KRKFGNDLYPCKAK-UUYOSTAYSA-N 449.805 5.821 30 10 IKEE N#Cc1ccccc1NC(=O)Nc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1 586688648 JWCNDSCSHSCUAQ-UHFFFAOYSA-N 438.409 5.151 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@H](C#N)c1ccc(I)cc1 698407687 OBNFDHJAHGTFAB-GOSISDBHSA-N 448.304 5.293 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2ccc(Br)cc2Cl)cc1 698852686 RRRBPWKJFINLOY-GOSISDBHSA-N 435.749 6.417 30 10 IKEE Oc1ccc2ccccc2c1C=Nc1ccc(OCC(F)(F)C(F)F)c(C(F)(F)F)c1 1083988481 FVYFRDUXBIQJLP-UHFFFAOYSA-N 445.334 6.594 30 10 IKEE CN(Cc1ccccc1)S(=O)(=O)c1ccc(N=Cc2c(O)ccc3ccccc23)cc1 1084450916 WXFXJMNTZIFMSV-UHFFFAOYSA-N 430.529 5.117 30 10 IKEE C=CC(C)(C)CCNC(=O)[C@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 1131401146 TYPGRZVHTZFHET-HNNXBMFYSA-N 441.622 5.404 30 10 IKEE CCc1ccc([C@H](C#N)NC(=O)CNc2nc(C)nc3sc(-c4ccccc4)cc23)cc1 1160225994 NVDVVLRNDREORW-NRFANRHFSA-N 441.560 5.022 30 10 IKEE Cc1ccc(Cc2sc(NC(=O)CN(Cc3ccc(C#N)cc3)CC(C)C)nc2C)cc1 1473127845 DEGGZKRGZSTQCM-UHFFFAOYSA-N 446.620 5.319 30 10 IKEE C=CCN1C(=O)/C(=C\c2c(Cl)cccc2Cl)S/C1=N/c1ccc(O)cc1C(=O)O 1614232673 DNAYTPNSAWSYDP-MDRWVBAWSA-N 449.315 5.187 30 10 IKEE Oc1c(Cl)cc(Cl)cc1/C=N/NC(=S)SCc1c(Cl)cccc1Cl 1615950621 YGUFKBCALXELMX-CGOBSMCZSA-N 440.204 6.148 30 10 IKEE O=C1/C(=C/C=C/c2ccccc2[N+](=O)[O-])SC(=Nc2ccccn2)N1c1ccccc1 1772731783 QDXGURQBQTVSMR-MCXFOZLXSA-N 428.473 5.355 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(O)c(OC)c2)SC1=Nc1nc(-c2ccccc2)cs1 1772737112 LYAIYUYYFFJTBY-VLTWACRQSA-N 437.546 5.148 30 10 IKEE CCc1ccc(NC(=S)N/N=C\c2cn(-c3ccc(F)cc3)nc2-c2cccs2)cc1 1857809203 QWFDNYGFQUWMRF-QFEZKATASA-N 449.580 5.623 30 10 IKEE CCCCCCCCCOc1cccc(NC(=O)c2ccc(CS(C)(=O)=O)cc2)c1 1860129178 JAGRBLWACWQWGT-UHFFFAOYSA-N 431.598 5.613 30 10 IKEE N#Cc1ccc(NC(=O)c2cccc(NC(=O)CCc3ccc(Br)cc3)c2)cc1 1860910071 WHTBFFKPRUBGMH-UHFFFAOYSA-N 448.320 5.144 30 10 IKEE CCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)CCc1ccc(Br)cc1 1861110081 NNXDCDFOOFRGDP-JOCHJYFZSA-N 439.438 5.143 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc(C)c1 1862429524 PGLCMHJAEKMRDV-WMZHIEFXSA-N 439.983 6.586 30 10 IKEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccc2ccccc12)c1ccccc1Cl 1862435578 ZEIYIPLKLMABAL-SBUREZEXSA-N 447.918 5.251 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@@H]1c1cccc(F)c1)c1cccc(Cl)c1 1862445315 SJLHXGAVJYTAST-HXUWFJFHSA-N 441.911 5.362 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccccc1Cl 1862445789 DGQFOZYWQYRSTR-HXUWFJFHSA-N 432.347 6.152 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(Br)cc2)=C(O)C(=O)N1CCC(C)C 1862468476 PWLQZIVQZHFXCE-FQEVSTJZSA-N 442.353 5.382 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(Cl)cc1 1862470169 HBKIHDOLWJGXQH-QGZVFWFLSA-N 434.717 5.089 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2cc(Cl)cc(Cl)c2)cc1 1862481904 HJNDXVQJSWHSOS-FQEVSTJZSA-N 432.347 5.926 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(CC)cc1 1862524772 MXMMLRSKYYDVTE-FQEVSTJZSA-N 442.353 5.390 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2ccccc2Cl)cc1 1862560850 NIIROACRMSGJCD-HSZRJFAPSA-N 446.934 5.052 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cc(Cl)cc(Cl)c1 1862631764 GLXQSHDGXHLBAJ-LJQANCHMSA-N 448.302 5.101 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862670225 OOKWGFQSTLTWON-UQBPGWFLSA-N 449.591 6.366 30 10 IKEE CCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccccc1 1862698245 DSTKYQRGKGRRDD-VWLOTQADSA-N 449.591 6.414 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 1862725042 ZQYLNZCQOLKYCT-OSPHWJPCSA-N 429.491 5.870 30 10 IKEE CCOc1ccc(C2=C(Nc3cccc(Cl)c3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862835860 ZNUKCWCBVONACI-UHFFFAOYSA-N 443.890 5.007 30 10 IKEE N#Cc1ccccc1NC1=C(c2cccc3ccccc23)C(=O)N(c2ccccc2Cl)C1=O 1862851328 ILWLGADIOOWCNV-UHFFFAOYSA-N 449.897 5.761 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccccc2OC)=C(c2ccc(C)c(C)c2)C1=O 1863607441 BKGVPXBSJXJRDX-UHFFFAOYSA-N 448.607 5.542 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(O)cc2)c(CSc2ncccn2)cc1=O 1870259906 OKDSXOOFFOKJEI-UHFFFAOYSA-N 439.581 5.034 30 10 IKEE CCCCCCCOc1cn(CCc2ccccc2)c(CN(C)Cc2ccccc2)cc1=O 1870409423 RPVAFDAFEFNZFS-UHFFFAOYSA-N 446.635 6.072 30 10 IKEE C=CCn1cc(OCCc2ccc(OC)cc2)c(=O)cc1CN(CCCC)CCCC 1870604845 CKMFXBQUEKIHNA-UHFFFAOYSA-N 426.601 5.067 30 10 IKEE CCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CNc1ccc2c[nH]nc2c1 1871059146 UWXAVVRCQAAEDF-UHFFFAOYSA-N 436.600 6.042 30 10 IKEE CCCCCCCCCCn1cc(OCCC)c(=O)cc1CNc1cccc(OC)c1 1871105657 CWSCFIAZLSCWSM-UHFFFAOYSA-N 428.617 6.399 30 10 IKEE C=CCn1cc(OCCOc2ccc(C)cc2)c(=O)cc1CNc1cccc(Cl)c1C 1871213045 JFRCREFVVVBUSP-UHFFFAOYSA-N 438.955 5.374 30 10 IKEE C=CCn1cc(OCc2ccc(C(=O)OC(C)C)cc2)c(=O)cc1CNc1ccccc1C 1871230342 BYWYSSMJQRPRLR-UHFFFAOYSA-N 446.547 5.099 30 10 IKEE Cc1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cn(C)c4ccccc24)C3=O)cc1 1871366357 AQILBVBFVCXFLR-VFURJRJASA-N 449.506 6.030 30 10 IKEE O=C1/C(=C/c2ccccc2)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc21 1871372006 UWXUUFYRDVPLGP-ITYLOYPMSA-N 432.475 6.040 30 10 IKEE CCOc1ccc(CC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871375333 GLZNXYUQPVZVEQ-QRVIBDJDSA-N 448.902 5.811 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OC(=O)c3ccc(OCC(C)C)cc3)cc(C)c2C1=O 1871382951 HPMFOGRPTNYSQJ-XKZIYDEJSA-N 448.540 6.235 30 10 IKEE Cc1ccc(OCCCCOc2cc(C)c3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871404144 DGHQSKBFBOCPRE-XYGWBWBKSA-N 432.491 6.297 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 1871404819 BCQQAASPLMWJSB-GEWRUKCFSA-N 447.462 5.165 30 10 IKEE Cc1cc(OCc2ccc(C(=O)OC(C)C)cc2)cc2c1C(=O)/C(=C/c1ccccc1F)O2 1871413941 FDPSPDDWHZIRBL-CFRMEGHHSA-N 446.474 5.895 30 10 IKEE Cc1cc(OCCOc2ccc(Cl)cc2)cc2c1C(=O)/C(=C/c1ccc(N(C)C)cc1)O2 1871414761 NWGMIPZHQNZCOX-IWIPYMOSSA-N 449.934 5.788 30 10 IKEE Cc1cc(C)c(COc2ccc3c(c2)O/C(=C\c2ccc(Cl)c(Cl)c2)C3=O)cc1C 1871417603 LUVDFRYFGIWBOB-MYKKPKGFSA-N 439.338 7.114 30 10 IKEE Cc1c(Cl)cccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccccc1)C2=O 1871427678 OUEPAAHYYCQWOF-XKZIYDEJSA-N 433.891 5.591 30 10 IKEE COc1ccc2c(c1)c(/C=C1\Oc3cc(OCc4ccccc4C#N)ccc3C1=O)cn2C 1871437409 WHZUJWPXEWCTFO-RAWMCFOBSA-N 436.467 5.254 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1cccc(F)c1)C2=O 1871458139 BCAMJOAVLRMAOS-UCQKPKSFSA-N 431.463 5.330 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)c(F)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872087622 PNTNKSKQDADXBM-MBSDFSHPSA-N 446.588 5.063 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(=O)(=O)CC 1872205535 VJZHVCSQFGAPOT-XMMPIXPASA-N 442.625 5.243 30 10 IKEE C=CCN([C@@H](C(=O)Nc1cccc(C(C)(C)C)c1)[C@H](C)CC)S(=O)(=O)c1ccccc1 1872233360 BWZOFTIKRUUITG-AUSIDOKSSA-N 442.625 5.214 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccccc1C(C)C)c1ccccc1)S(=O)(=O)CCCC 1872457753 YDECEYXPQGJYEG-QHCPKHFHSA-N 428.598 5.108 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1cc(C)ccc1C 1872513571 VACWNJDNGAEHAZ-QHCPKHFHSA-N 442.625 5.294 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cc(C)ccc1C)[C@@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872571162 DQHDPCMVOSVIKA-MBSDFSHPSA-N 446.588 5.063 30 10 IKEE N#C[C@H](C(=O)Cc1ccc(F)cc1F)c1nc(-c2cccc(Br)c2)cs1 1872764157 FBVOETJULWQAOM-OAHLLOKOSA-N 433.277 5.270 30 10 IKEE COc1ccc(C)cc1-c1csc([C@H](C#N)C(=O)c2cccc(Br)c2)n1 1872771212 ORMRNPURRUEMTA-MRXNPFEDSA-N 427.323 5.380 30 10 IKEE Cc1cccc(C)c1OCCCC(=O)[C@@H](C#N)c1nc(-c2ccc(F)c(F)c2)cs1 1872779252 FNZNFVQTDPTKAL-QGZVFWFLSA-N 426.488 5.741 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)COc2cccc(C)c2C)n1 1872785861 BBHVJAWSOCLVFF-SFHVURJKSA-N 440.952 5.653 30 10 IKEE CCSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874252027 BKPWQYBKBCGHJK-CVKSISIWSA-N 448.514 5.611 30 10 IKEE CCCOc1cccc(/C=N/n2c(CCc3cccc(OC)c3)nnc2SCCC)c1 1874310924 USSBRGGUKPIYOK-XIEYBQDHSA-N 438.597 5.245 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccc(Cl)cc3)n2/N=C/c2ccc[nH]2)c1 1874342163 BYTPKJFZIKZCBL-VULFUBBASA-N 435.984 5.642 30 10 IKEE Cc1ccccc1CSc1nnc(COc2ccccc2)n1/N=C/c1ccccc1F 1874382900 NWDNVXNIGPSBQZ-CVKSISIWSA-N 432.524 5.479 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(C)c3)n2/N=C/c2ccc(O)c(O)c2)cc1 1874388568 SCYAQIZCBVIMHN-CVKSISIWSA-N 444.560 5.071 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2ccccc2F)nnc1[C@@H](C)c1ccccc1 1874395853 XBSJTFODKPFQJH-NLTKLDOMSA-N 446.551 5.752 30 10 IKEE C=CCSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1c(OC)ccc2ccccc12 1874400283 NAZBFYQTUKTQDS-WYZSWBMLSA-N 428.561 5.752 30 10 IKEE CSc1nnc(CC2CCCCC2)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874405501 AQRMSMORVZGFCU-KOEQRZSOSA-N 434.565 5.224 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccco2)cc1 1874407132 GSWWLAKVAVKBBX-HYARGMPZSA-N 425.514 5.077 30 10 IKEE COc1ccc(OC)c(/C=N/n2c(SCc3ccccc3C)nnc2-c2ccccc2)c1 1874426010 MRHZZTGFPICBLC-WGOQTCKBSA-N 444.560 5.445 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccccc2)cc1 1874438500 FETSTLRGXUQZJS-NLRVBDNBSA-N 436.625 6.220 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1cccc(OC)c1OCC 1874476934 ZZNLRSMLWOGZRQ-MFKUBSTISA-N 442.560 5.342 30 10 IKEE CCCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccccc1O 1874479038 FNYXLRUXLGSUAT-FSJBWODESA-N 435.380 5.808 30 10 IKEE C=CCSc1nnc(CCCC)n1/N=C/c1ccc(OCc2ccccc2)c(OC)c1 1874479091 IKTDCNLJKNPOKM-KOEQRZSOSA-N 436.581 5.369 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1cccc(OC)c1OCC 1874510424 NBRLDIIQHNZMCB-ZVHZXABRSA-N 444.988 5.466 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2cccc(Cl)c2)nnc1C(C)C 1874516701 COHJKVZXSONDKY-ZVHZXABRSA-N 428.989 6.018 30 10 IKEE Fc1ccc(Br)cc1/C=N/n1c(SCc2ccccc2)nnc1C1CC1 1874519842 OJEQFAKCDOKWSM-SSDVNMTOSA-N 431.334 5.232 30 10 IKEE CCCN(CCC)C(=O)CSc1nnc(C2CC2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874520871 ZVEYTXITNJHUTL-PCLIKHOPSA-N 441.645 5.076 30 10 IKEE CCOc1c(/C=N/n2c(CC)nnc2SCc2cccc3ccccc23)cccc1OC 1874525814 HBVYZEUEWIBRCZ-WGOQTCKBSA-N 446.576 5.576 30 10 IKEE Cc1ccc(COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1 1874573513 RTRPRZYZVDHZGB-UXBLZVDNSA-N 431.746 7.430 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccccc2OCC(=O)Nc2cc(C)ccc2C)c1 1874581117 XTJVTYXGDPCZSD-ACCUITESSA-N 445.515 5.234 30 10 IKEE C=C(C)COc1c(OC)ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2)c1Br 1874593844 DSYJJKRNKRFGBE-RMKNXTFCSA-N 447.325 5.326 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OCC(=O)Nc1cc(C)ccc1C 1874598953 NYNRGSOOMJDVGP-FMIVXFBMSA-N 443.543 5.842 30 10 IKEE CCCOc1c(OC)ccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)c1Br 1874599629 WMRPWFNGPJGTBJ-VQHVLOKHSA-N 433.342 5.768 30 10 IKEE CCCOc1c(Br)cc(/C=C/C(=O)c2cc(C)ccc2OC)cc1OCC 1874619765 RIZAQHDWPNXZMI-CMDGGOBGSA-N 433.342 5.850 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Cl)c1OCc1ccc(C)cc1 1874620157 LVOCIDMGEGOEKR-FMIVXFBMSA-N 438.926 6.970 30 10 IKEE C=C(C)COc1c(Cl)cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1OCC 1874628073 KMWOBENDJQFIIB-XNTDXEJSSA-N 448.946 7.382 30 10 IKEE CCCCCCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccc(C)c1 1874659131 UKDXNJRHAVFLPV-AREMUKBSSA-N 447.623 5.571 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCCC1 1874663796 VIKVMGJUJLTOTK-VWLOTQADSA-N 439.644 5.642 30 10 IKEE CCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1CC 1874690140 DPZCIGMDRHRLEK-SANMLTNESA-N 447.623 6.147 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1OC(=O)c1ccc(Cl)cc1 1874693470 HDELNXXYOFDYCW-MKMNVTDBSA-N 446.930 6.343 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC(=O)CSc3ccccc3)c2)cc1 1874696000 DCJPWYNJQPGSNV-OBGWFSINSA-N 430.569 6.623 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2cccc(Cl)c2)c1)c1ccc(Br)cc1 1874697275 QRLHZFPXIYBBAS-KPKJPENVSA-N 441.708 6.218 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OC(=O)COc1cccc(C)c1C 1874704073 VXKRZDOHYHBIQZ-XYOKQWHBSA-N 448.490 5.640 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc(C(C)(C)C)cc3)c2)c1C 1874710429 BRIQUOKRFIPUFT-LFIBNONCSA-N 440.583 7.333 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc(Br)cc3)c2)c(C)c1 1874716306 MKDMIPQMJCZQBM-KPKJPENVSA-N 449.344 6.490 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 1874717783 CUJRJSFIVBTVQS-VZUCSPMQSA-N 427.283 6.117 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OC(=O)c1ccco1 1875097848 GCNXTLLYIBTJOY-SDNWHVSQSA-N 442.511 6.011 30 10 IKEE C[C@H](C(=O)Oc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl)c1ccccc1 1875116754 QQLGVTDRNADUQO-UDYBNVKDSA-N 435.863 5.853 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3F)cc2Cl)cc1 1875120867 NZUHSNDWDRSSRR-UXBLZVDNSA-N 426.846 5.971 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2Cl)c1 1875126116 QPPCNJSAEVUGKA-VZUCSPMQSA-N 439.338 6.654 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3ccco3)c(OC)c2)cc1 1875136175 AVEQLMSGBKFLBV-IZZDOVSWSA-N 440.879 5.846 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccc(Cl)cc3)cc2)cc1 1875137365 IXTQFYXYOIJUMN-REZTVBANSA-N 448.946 6.563 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2ccccc2F)c(Cl)c1 1875143219 PJHLLCVULSYWBW-CSKARUKUSA-N 438.882 5.840 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3ccc(/C=C/C(=O)c4ccc5c(c4)OCO5)cc3)c(C)c2c1 1875150059 VZZRHRGBNKQZQT-IZZDOVSWSA-N 439.467 5.629 30 10 IKEE Cc1ccsc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] 1875156490 CVAJTPNCVUXKOM-ONNFQVAWSA-N 435.501 6.203 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)Cc1ccccc1Cl 1875158572 CEEOCHSQNODBNC-NTUHNPAUSA-N 438.882 5.922 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)c1ccc(C)cc1 1875159577 GSOIYFFCFXEBEG-AWNIVKPZSA-N 438.882 6.302 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc(Cl)c1OC(=O)CCOC 1875167100 PAJKMOPGFUXBML-VQHVLOKHSA-N 446.927 5.202 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)COCc2ccccc2)cc1 1875169542 MMTJFRUPXQOIPV-SDNWHVSQSA-N 430.500 5.330 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccccc2)c(Cl)c1 1875180593 OWMHZBCYVUZFLZ-CSKARUKUSA-N 441.310 6.426 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1C 1875186815 KZYYKJFIXNJWTP-XYOKQWHBSA-N 445.471 5.644 30 10 IKEE CC1(C)OB([C@]23C[C@@H]2CCN(Cc2ccc(Cl)cc2Br)C3)OC1(C)C 1879794437 OONSRJXLFFMFEI-LIRRHRJNSA-N 426.591 5.161 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1csc(CCNC(=O)OC(C)(C)C)n1 1922079742 IMXMAPYKXBSGSF-QFIPXVFZSA-N 445.629 5.024 30 10 IKEE N#Cc1cccc([C@H](CCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 1951638355 DLOGUFXKGGSDHN-DEOSSOPVSA-N 426.472 5.003 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@H](C#N)[C@@]1(C)CCCN1C(=O)OC(C)(C)C 2020798801 NSWFCUVYIDVAQL-WZONZLPQSA-N 449.979 5.763 30 10 IKEE CCCNCc1ccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)c(C#N)c1 2034744922 FLGKRLNIECNYEO-UHFFFAOYSA-N 426.608 5.196 30 10 IKEE Cc1ccc([C@H](n2nc(C(C)C)c(C=NO)c2Br)C(C)(C)C)c(F)c1F 2079882547 YBEKTXYEZMHJCD-KRWDZBQOSA-N 428.321 5.799 30 10 IKEE CC(C)(C)c1nn([C@@H](c2ccc(C(F)(F)F)cc2)C2CC2)c(Br)c1C=NO 2079907330 GHXLWUDPJVAOJB-OAHLLOKOSA-N 444.295 5.769 30 10 IKEE CC(C)c1ccc([C@@H](C2CC2)n2nc(C(C)C)c(C#N)c2I)cc1 2079926693 GKBAKPUGRYVWPE-IBGZPJMESA-N 433.337 5.606 30 10 IKEE CC(C)(C)c1nn([C@H](c2ccc(C(F)(F)F)c(F)c2)C2(C)CC2)c(Cl)c1C=NO 2080052492 AUEHMVLRVASMAG-MRXNPFEDSA-N 431.861 6.190 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(F)c(NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c1 2094849009 JVHXZWPNDQCNEG-UHFFFAOYSA-N 442.340 5.084 30 10 IKEE C=CCCCC[C@H](NCCC)c1cc(I)ccc1Br 2123089781 VYSNTEZIJARUBG-INIZCTEOSA-N 436.175 5.841 30 10 IKEE CC(C)N(C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cc(Br)c(C#N)cc1F 2174810489 NDWUUJRFAPRQHD-HNNXBMFYSA-N 440.357 5.074 30 10 IKEE CC[C@@H]1CC=C(C(=O)[C@H](Cc2ccc(Br)cc2)NC(=O)OC(C)(C)C)CC1 2237408412 FYUSSGYDIRGYPS-BEFAXECRSA-N 436.390 5.591 30 10 IKEE CC(C)(C)C#CC=CC[C@@H](N)c1ccc(I)c(Br)c1 2268828234 UIIVXIYXBDZBSZ-OAHLLOKOSA-N 432.143 5.049 30 10 IKEE C=CCC[C@H](C)[C@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2277122340 PMEOSMNJNGXQKY-IADCTJSHSA-N 445.603 6.463 30 10 IKEE O=C(N[C@H](C(=O)C#Cc1ccc(Br)cc1)c1ccccc1)OCc1ccccc1 2278810538 XREPCLZCHXLZJE-QHCPKHFHSA-N 448.316 5.037 30 10 IKEE O[C@@H](C#Cc1ccc(Br)cc1)c1cccc(Br)c1Br 2278814613 UTGAADPOXGQWNS-AWEZNQCLSA-N 444.948 5.059 30 10 IKEE CC(C)(C)OC(=O)NC(C)(C)c1ccc(Nc2c(Br)cccc2C#N)cc1 2285237283 GGXZYQLUPWUODF-UHFFFAOYSA-N 430.346 5.824 30 10 IKEE CCCN[C@@H](C#CC1CCCC1)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2289694626 XCQDYKOEFIDYSL-FQEVSTJZSA-N 435.406 6.030 30 10 IKEE CCc1ccc(NC(=O)OC(C)(C)C)c(C(=O)C#Cc2ccc(Br)cc2)c1 2296227167 MPGUPSPFOOOQCG-UHFFFAOYSA-N 428.326 5.593 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C 2296310076 DVYFCLZXEQMKOA-RBUKOAKNSA-N 437.422 5.108 30 10 IKEE CCCOc1ccc(C(=O)C(=Cc2cc(OC)ccc2OC)c2nc3ccccc3o2)cc1 2296845184 BCKXJZBWRSMESK-UHFFFAOYSA-N 443.499 6.057 30 10 IKEE O=C(C=Cc1ccccc1)Oc1ccc2c(c1)OC(=Cc1cccc(Br)c1)C2=O 2296871327 NXHQZHWFMNLASK-UHFFFAOYSA-N 447.284 5.684 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3cc(OC(=O)c4cccs4)ccc3C1=O)cn2C 2296871821 HNTITLSLSRARKI-UHFFFAOYSA-N 431.469 5.084 30 10 IKEE COc1cccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(Br)cc3)c2)c1 2314429816 PLILOIIXFWKBOH-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE N#Cc1cc(Cl)ccc1Oc1cc(Br)cc(I)c1 2316851334 NKKXIAHKBWFVSV-UHFFFAOYSA-N 434.458 5.371 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C2CC2)cc1O 2320892399 RRRNSIFUGFDWAB-UHFFFAOYSA-N 449.363 5.351 30 10 IKEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1ccc(Cl)cc1)Nc1ccccc1 2322534992 QCDDRVKZXPJQGD-UHFFFAOYSA-N 426.299 5.907 30 10 IKEE COc1ccccc1C(=O)Oc1ccc2c(c1C)OC(=Cc1c(F)cccc1Cl)C2=O 2322698440 WHCGZJMLYJWVPL-UHFFFAOYSA-N 438.838 5.632 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2cccc3ccccc23)c1OCc1ccccc1F 2322724462 BFDGPHIXVYQVOY-UHFFFAOYSA-N 446.905 7.116 30 10 IKEE Cc1c(OC(=O)Cc2ccc(Cl)cc2)ccc2c1OC(=Cc1cccc(Cl)c1)C2=O 2322900967 OXCLAMZEBJFXIE-UHFFFAOYSA-N 439.294 6.066 30 10 IKEE Cc1c(OC(=O)COc2ccccc2)ccc2c1OC(=Cc1ccc(C(C)C)cc1)C2=O 2322948816 YTOGLYYEDMGACC-UHFFFAOYSA-N 428.484 5.719 30 10 IKEE COC(=O)COc1ccc(Cl)cc1C=CC(=O)c1cc(Cl)c(OC)c(Cl)c1 2322974187 SEZFIHKYTISTJC-UHFFFAOYSA-N 429.683 5.103 30 10 IKEE Cc1c(OC(=O)c2c(F)cccc2Cl)ccc2c1OC(=Cc1ccccc1Cl)C2=O 2323358717 ZOUZXRBQZIMQAC-UHFFFAOYSA-N 443.257 6.276 30 10 IKEE Cc1cc(OC(=O)Cc2cccc3ccccc23)cc2c1C(=O)C(=Cc1cccc(F)c1)O2 2323399846 DEMXOMCJYJRVDE-UHFFFAOYSA-N 438.454 6.052 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OCc1ccccc1Cl 2323767986 WIZRFDCDGRSUQK-UHFFFAOYSA-N 427.327 6.867 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OCC(=O)Nc1nccs1 2323865596 XEMISCROAGCUDE-UHFFFAOYSA-N 436.533 5.072 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1cccc(F)c1 2324073560 IECDSYFTBHEYPQ-UHFFFAOYSA-N 432.535 6.997 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OCC(=O)Nc1cc(C)cc(C)c1 2324456053 PFAOCJDMDVQEOP-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4c(C)cccc4C)ccc3C2=O)cc1 2325141810 WJOQHXPDVRVIIG-IBGZPJMESA-N 427.500 5.634 30 10 IKEE CC(C)c1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2325318196 XZZBRIWSXCUQNX-UHFFFAOYSA-N 447.918 6.097 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCCC(=O)Nc3ccccc3)ccc2C1=O 2325474446 AEDJLYDMBIPGAE-UHFFFAOYSA-N 429.472 5.109 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(N(C)C)cc1 2325532515 PBGOJNJARURGAU-UHFFFAOYSA-N 428.005 5.515 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OC(=O)c1ccc(C)c([N+](=O)[O-])c1 2325737853 ZSUQNPXOUYITDK-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2ccc(C)cc2)cc1OC(=O)C(C)(C)C 2325738114 QOJJYRPHXGYSKK-UHFFFAOYSA-N 431.326 5.614 30 10 IKEE CCCC(=O)Oc1cc(C=CC(=O)c2cc(C)ccc2OC)c(Br)cc1OC 2325743238 HBFNUGKYVGLSAM-UHFFFAOYSA-N 447.325 5.376 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc2c(c1)OCO2 2325747731 YPZRTLFLJJKIAS-UHFFFAOYSA-N 441.266 5.837 30 10 IKEE N#Cc1ccccc1NC(=O)c1ccc(NC(=O)C=Cc2ccc(Br)cc2)cc1 2328687550 QBWJYVSVDNODMV-UHFFFAOYSA-N 446.304 5.225 30 10 IKEE Clc1ccccc1C=Nn1c(CCc2cccs2)nnc1SCc1ccccc1 2329663558 ZBMMFJKECOUCGW-UHFFFAOYSA-N 439.009 5.953 30 10 IKEE CSc1nnc(Cc2ccc(C)cc2)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2329933304 JKKGFWKDDQHJHR-UHFFFAOYSA-N 442.544 5.001 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccccc2O)cc1 2329941844 UYROOKITUYKTAY-UHFFFAOYSA-N 432.524 5.197 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2F)n1N=Cc1cccc(F)c1 2330108506 OIGILDQSAYPIKI-KRWDZBQOSA-N 434.515 5.883 30 10 IKEE O=C(O)c1ccccc1C=Nn1c(SCc2ccc(F)cc2)nnc1-c1cccs1 2330541019 XVONOOLOIXXSIQ-UHFFFAOYSA-N 438.509 5.018 30 10 IKEE COc1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2-c2ccccc2)cc1O 2330645881 LTAGLWVEUWLRQW-UHFFFAOYSA-N 430.533 5.142 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc([N+](=O)[O-])c1OC(=O)C1CC1 2330692701 JPCKIXAJRIPXDJ-UHFFFAOYSA-N 435.476 5.084 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)Oc3ccc(Cl)cc3)cc2)cc1 2330740669 AMZGDFONZNKRQX-GOSISDBHSA-N 434.919 6.171 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(CC(C)(C)C)n2N=Cc2cccs2)c1C 2330808150 SFKWWCSJMZXXMX-UHFFFAOYSA-N 441.626 5.158 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)ccc1OC(=O)CCOc1ccccc1 2330950716 VULNAYSUDIZORL-UHFFFAOYSA-N 436.891 5.619 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Br)c(OC(=O)CC(C)C)c(OC)c2)cc1 2330975576 ANWMAIRNEXLMCI-UHFFFAOYSA-N 447.325 5.314 30 10 IKEE CCSc1nnc(C2CCCC2)n1N=Cc1ccccc1OCc1ccccc1Cl 2331051947 DJWZMRMABAQXCH-UHFFFAOYSA-N 441.000 6.162 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)Cc1ccccc1OC 2331077618 JDYIVDBGBOCHTN-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE Cc1ccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C(F)(F)F)cc1 2331157305 YJOFGDMKANNYLP-UHFFFAOYSA-N 445.297 6.087 30 10 IKEE COc1cccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C(C)(C)C)c1 2331399840 DJXAXCANTMCETC-UHFFFAOYSA-N 449.407 6.066 30 10 IKEE CCCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccc(C)c(C)c2)cc1OCC 2331711507 SEKILXVKEZQWIG-UHFFFAOYSA-N 445.353 6.066 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(C=CC(=O)c3c(C)cc(C)cc3C)cc2)CC1 2331764324 DATKOXJSRXKTOE-UHFFFAOYSA-N 432.604 7.410 30 10 IKEE CCC(=O)Oc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1Br 2331794736 WDLCLDXQBMXHLL-UHFFFAOYSA-N 429.354 6.267 30 10 IKEE N#C[C@]1(Cc2ccc(I)c(Br)c2)CCCC12CCC2 2349877197 BZSSACKZGIWLJK-MRXNPFEDSA-N 430.127 5.460 30 10 IKEE COc1cc(Br)c(/N=C/c2c(O)ccc3ccccc23)c(Br)c1 710857 BBRUFZNOVWWGMQ-UFFVCSGVSA-N 435.115 5.830 30 10 IKEE CCCC[C@H](CC)[C@@H](ON=C(c1ccccc1)c1ccccc1)n1nnc2ccccc21 5309978 XZFQFZVQVQKTBX-KDYSTLNUSA-N 426.564 6.616 30 10 IKEE CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)ccc1O 21221719 HAXLISFGNUJJOY-CPJLOUKISA-N 432.545 5.832 30 10 IKEE CCc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 21260556 FWHSRLJDKIWPTR-CCLHPLFOSA-N 439.515 6.137 30 10 IKEE C=CCC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C(C)C 36302021 CXLRXWXUOYAIBV-HSZRJFAPSA-N 449.595 5.519 30 10 IKEE C=CCC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C1CC1 36303865 DQAKUMVPNOACMG-HSZRJFAPSA-N 447.579 5.273 30 10 IKEE CCc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3ccc(F)cc3)C4)C2=O)cc1 41588027 ABIVRKWOLHRVRO-MSXFZWOLSA-N 429.491 5.665 30 10 IKEE C=C(C)COc1cccc(NC(=O)CNc2cccc(NC(=O)CCc3ccccc3)c2)c1 66091187 SXHDZOVIFGTFHU-UHFFFAOYSA-N 443.547 5.263 30 10 IKEE C=CCn1c(SCc2ccccc2C(=O)NCc2ccc(F)cc2)nnc1-c1ccco1 96290414 RCSIFNFYWIPLDM-UHFFFAOYSA-N 448.523 5.086 30 10 IKEE CCCCCCCCn1c(CCCCCNC(=O)Cc2ccccc2)nc2ccccc21 102176251 PSKBBGKWQIURFL-UHFFFAOYSA-N 433.640 6.469 30 10 IKEE C=CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)SC1=S 102827931 YPFSBZWLDOGRRX-KGENOOAVSA-N 445.613 5.852 30 10 IKEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccccc2F)cc1 103096248 ZUYXSMSVFBPRLK-AGGMBTAESA-N 444.487 5.370 30 10 IKEE N#C[C@H]1CCCC[C@@H]1Nc1c(Br)cc(Br)cc1Br 104013828 PWLCZYHNTZFBDU-PELKAZGASA-N 436.973 5.468 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2cccc(C)c2)cc1 169971763 XBIDEDCRXAFJBZ-JOCHJYFZSA-N 435.426 5.065 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@@H]1c1cccs1)c1ccc(Cl)cc1 169986251 UKDUFBYBJJAJJM-JOCHJYFZSA-N 445.927 6.338 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1cccs1)c1cccc(Cl)c1 169989473 ZAVNUWGEBZKHQG-FQEVSTJZSA-N 441.911 5.362 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@H]2c2ccccn2)c1 169996330 DNDZOSRDRBFDER-QFIPXVFZSA-N 448.906 5.225 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@@H]2c2ccncc2)cc1 170016985 UTWKUTSGUGUNLA-XMMPIXPASA-N 440.543 5.724 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@@H]2c2ccncc2)cc1C 170018210 CSGNFJDDCIRHEG-OAQYLSRUSA-N 436.870 5.274 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(F)cc2)c1 170060616 WVZGNKZSSUTVJA-QHCPKHFHSA-N 443.430 5.363 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccccc2F)cc1 170069653 KKCDLJCAEKKEPP-JOCHJYFZSA-N 435.426 5.065 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccccc2C)c1 170086702 REEWSIKVFQFWDY-QHCPKHFHSA-N 447.918 5.830 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1cccc(Cl)c1 170107005 UKYXKNFHKPLWDF-SFHVURJKSA-N 444.339 6.146 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2C2CCCCC2)c1 170119130 WINBCXNQDKFCDL-QHCPKHFHSA-N 430.504 5.088 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@@H]1c1ccccc1OC(C)C 170151164 JQOURBNGTHAQPR-QFIPXVFZSA-N 437.536 5.088 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)[C@H]2c2cccs2)c1 170156736 OBKYTVDMUHSNHT-OAQYLSRUSA-N 449.915 6.239 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@@H]1c1cccs1 170165549 GVYSNLKGNDUJAN-QFIPXVFZSA-N 441.593 5.957 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C)c(Cl)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170172234 DFIHCZIOKQJDIG-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccccn2)cc1 170173977 XKLXLCOVGHFVHW-JOCHJYFZSA-N 448.906 5.307 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2C2CCCC2)cc1 170214617 CYLWMMSCNVOPLR-DEOSSOPVSA-N 449.547 5.393 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc(OCC(C)C)c1 170219021 KQPUDUMZDDSMDU-VWLOTQADSA-N 443.543 5.863 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccc2)cc1C 170228956 GOIXNOWAJHSFNZ-XMMPIXPASA-N 427.500 5.403 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(C(C)C)cc2)cc1C 170246302 QVLPRYWKSKANTH-DEOSSOPVSA-N 433.548 5.648 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1ccccc1F 170251971 RQPNMONQLRUTOQ-JOCHJYFZSA-N 439.527 5.046 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccco2)cc1C 170286060 QMOIADPPKSDVCR-QHCPKHFHSA-N 431.488 5.386 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2sccc2C)c1 170316230 HGYFUYUWHZNRMN-FQEVSTJZSA-N 437.517 5.217 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@@H]1c1sccc1C 170319383 RPCWMIVHQGIZKH-GOSISDBHSA-N 433.957 5.487 30 10 IKEE CCN(CC)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2cccc(C)c2)cc1 170342922 RVQVOQHDWQWXGT-XMMPIXPASA-N 441.531 5.019 30 10 IKEE CC[C@@H]1S/C(=N/N=C/c2ccc(OC)c(OC)c2)N(Cc2cccc3ccccc23)C1=O 229659361 ZETWLCDQKVYEKX-BQHJCBTJSA-N 447.560 5.101 30 10 IKEE Cc1ccc(N=C2S/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(C)cc2)cc1 254448878 LVRAFANJAQSBKR-IBORXNHRSA-N 429.501 6.020 30 10 IKEE CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=NO)C(=NO)C[C@]4(C)[C@@H]3CC[C@@]12C 254466854 HVEXIRSOIACQFA-LXTPBUAQSA-N 430.677 7.378 30 10 IKEE CCN1/C(=C2/SC(=Nc3ccccc3)N(c3cccc(C)c3)C2=O)Sc2ccccc21 263631692 MWVVIEWHBGCKQJ-VUQCETKJSA-N 443.597 6.564 30 10 IKEE CCCCCCCCCCNc1ccc(Br)c(I)c1 311637086 OCHLCTSUJCUIST-UHFFFAOYSA-N 438.191 6.606 30 10 IKEE C=C(COCC)[C@@H](NCCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 407092536 NHTFRNKYCJPJQN-GOSISDBHSA-N 427.383 5.430 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(O)c(Cl)c2)c1 526606480 KVKLGKOPLJSMSM-QHCPKHFHSA-N 446.890 5.373 30 10 IKEE CCOc1cc(/C=N\n2c(CC)nnc2SCc2ccccc2F)ccc1OC(C)C 526802923 OPLWCTGHJQDELU-QFEZKATASA-N 442.560 5.340 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1ccccc1OC 526824094 JVYIEPHRUMQOPS-FMCGGJTJSA-N 435.380 5.721 30 10 IKEE COc1ccc(CN(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 586142868 LFHCTFQSOHIIEY-UHFFFAOYSA-N 448.588 5.255 30 10 IKEE CC(=O)c1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 586249485 LJVDEKZGCQZKTL-UHFFFAOYSA-N 446.572 5.454 30 10 IKEE CCOc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2ccc(Cl)cc2)cc1 586255629 UQXODEYFVSNTPZ-UHFFFAOYSA-N 426.925 5.006 30 10 IKEE C=CCN(CC=C)C(=O)Nc1cccc(C(=O)Nc2ccc(Br)c(C)c2)c1 586673573 SFOQRLFGVGBQQG-UHFFFAOYSA-N 428.330 5.216 30 10 IKEE CN1/C(=C\C=Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)C(C)(C)c2ccccc21 606348034 BQHRFMDHWZGRAH-FMCAUSTJSA-N 442.403 6.013 30 10 IKEE Cc1cc(C)c([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)c(C)c1 698459908 SRWOXJYIEKWAJQ-IBGZPJMESA-N 429.358 6.381 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1cccc(F)c1Br 698483160 ARLFHNNKOZDECT-MRXNPFEDSA-N 435.293 5.603 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCN(C(=O)OC(C)(C)C)[C@H]2C)cc1 698886925 GCAUAWUWVSSUDA-UUOWRZLLSA-N 429.561 5.418 30 10 IKEE Ic1ccc(-c2ccc(C=NNc3nc4ccccc4s3)o2)cc1 1084044184 FRDRHJISVHLDII-UHFFFAOYSA-N 445.285 5.607 30 10 IKEE CCCSc1n[nH]c(NN=Cc2ccccc2OCc2cccc(Br)c2)n1 1084350500 RCQNSIOGTQFGSJ-UHFFFAOYSA-N 446.374 5.094 30 10 IKEE C=CCOc1ccccc1CN(C(=O)c1ccc2c(O)ncnc2c1)c1ccc(C)c(C)c1 1585491902 AODFCWISROPQQX-UHFFFAOYSA-N 439.515 5.364 30 10 IKEE CC1(C)Cc2ccc([C@H](C#N)OC(=O)[C@H]3[C@@H](/C=C(/Cl)C(F)(F)F)C3(C)C)cc2O1 1615199317 FWQQOTTYQXSXDD-VCQZFAFDSA-N 427.850 5.465 30 10 IKEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc3oc(O)nc3c2)cc1Cl 1622897487 FUAVVFUICOAGRY-GOSISDBHSA-N 432.867 5.164 30 10 IKEE COc1cccc(/C=C2\SC(=Nc3cccnc3Cl)N(C3CCCCC3)C2=O)c1 1772734127 OWYQHECDOFGFQI-ZQFCNSAKSA-N 427.957 5.680 30 10 IKEE O=C1/C(=C/c2c(F)cccc2Cl)SC(=Nc2cccnc2Cl)N1c1ccccc1 1772734817 RCFGZKYBYBXAJH-JZSRTLTASA-N 444.318 6.336 30 10 IKEE N#Cc1ccccc1NC(=O)c1nn(Cc2ccc(F)cc2)c(-c2ccc(F)cc2)c1Cl 1859385198 WLGNCFRAPMPXKW-UHFFFAOYSA-N 448.860 5.654 30 10 IKEE N#Cc1c(NC(=O)Cc2noc3ccc(F)cc23)oc(-c2ccccc2)c1-c1ccccc1 1859650376 QHXOALIQNBXGQA-UHFFFAOYSA-N 437.430 5.947 30 10 IKEE CCc1cc(Br)cc2c1O[C@@]1(C=C2)CCN(c2nccc(C(C)C)c2C#N)C1 1859828635 SLVAUKSIFIKNHZ-QHCPKHFHSA-N 438.369 5.456 30 10 IKEE CC(C)(C)c1csc(NC(=O)C2CCN(C(=O)c3c(F)cccc3Cl)CC2)c1C#N 1860628909 UOKFWIGZCBSCKV-UHFFFAOYSA-N 447.963 5.201 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 1861126628 RJBHHOSWVCLOKR-SQAMQDMYSA-N 445.604 5.540 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(O)c1 1862443403 PCRAUYUNLBKEON-YFZFPPMRSA-N 425.912 5.203 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccccc1C 1862456555 UUMXXAJGGTVUIM-OAQYLSRUSA-N 431.454 5.571 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccccc2Cl)cc1 1862476367 JKSZKAKEYBHUQT-XMMPIXPASA-N 445.946 5.778 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc(F)c2)cc1 1862517254 JBGRLDFXCLXBQT-HSZRJFAPSA-N 437.511 5.526 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc(Br)cc2)cc1 1862540552 QFGFAWXMUBKEIK-FQEVSTJZSA-N 442.353 5.246 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccccc1 1862605246 PELIVKYHDARCKM-GBXCKJPGSA-N 449.547 5.395 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(Cl)c2)cc1F 1862641180 PVWHNAXOGBTZHF-FQEVSTJZSA-N 429.875 5.009 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1ccc(Br)cc1)c1cccc2ccccc12 1862657059 UHBHKWXNAKRDSK-OAQYLSRUSA-N 448.316 5.343 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 1862667060 RSVLKTONKXQQQH-HSZRJFAPSA-N 435.564 5.068 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862679019 UEPSQHZLPFGEQD-DEOSSOPVSA-N 435.539 6.250 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc(Cl)cc2Cl)cc1 1862690296 LWEJIQLFGXVZHN-IBGZPJMESA-N 434.319 5.236 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)cc1 1862736882 PQDNPDJGMJPRNY-BSLALVQMSA-N 434.492 5.060 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(Cl)c(Cl)c3)C2=O)cc1 1862910595 VSFWMECUWVQVLX-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE Cc1cc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(F)c(Cl)c3)C2=O)ccc1F 1863086496 PQUKODMEYKUZDM-UHFFFAOYSA-N 449.844 5.195 30 10 IKEE Cc1cc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1F 1863088678 KVISFKCFGZZZRJ-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc([N+](=O)[O-])cc2C)=C(c2ccc(C)cc2)C1=O 1863276722 XXNDMIMSDFKONK-UHFFFAOYSA-N 449.551 5.764 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C)c2)=C(c2ccc(F)cc2F)C1=O 1863311274 AWRXNHYAFZKJTB-UHFFFAOYSA-N 426.507 5.826 30 10 IKEE CC(C)[C@H](CC(=O)N[C@@H](C(=O)Nc1cccc(C#N)c1)c1ccccc1)c1ccc(F)cc1 1866748473 IMNAWTRWVMLZQI-AZGAKELHSA-N 443.522 5.323 30 10 IKEE CCC[C@H](NC(=O)c1ccc(-c2cc3ccccc3[nH]2)cc1)C(=O)Nc1ccc(C#N)cc1 1867063936 YTCUYDMAPMGIEN-DEOSSOPVSA-N 436.515 5.244 30 10 IKEE C#CCOc1cn(CCCCCCCCCC)c(CSc2ccc(C)cc2)cc1=O 1870300781 VBJDUANMUVAIJY-UHFFFAOYSA-N 425.638 6.602 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(C)cc2)c(CN2C[C@H](C)C[C@@H](C)C2)cc1=O 1870416940 WMBPFWBHYKOOJD-DNQXCXABSA-N 438.656 6.032 30 10 IKEE C=CCn1cc(OCc2ccc(CC)cc2)c(=O)cc1CN(CCCC)CCCCCC 1870464392 HVILLOTVFJYTBP-UHFFFAOYSA-N 438.656 6.358 30 10 IKEE CCCCCCCOc1cn(CCCCCC)c(CNc2ccc(N(C)C)cc2)cc1=O 1870839609 SOZLRSVDDBUWNT-UHFFFAOYSA-N 441.660 6.456 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OC(=O)Cc4cccc5ccccc45)c3C)C2=O)cc1 1871376254 BFXXTTDWGFQVKO-QQXSKIMKSA-N 434.491 6.221 30 10 IKEE CCCCN(CCCC)Cc1c(O)ccc2c1O/C(=C\c1ccccc1OC(F)F)C2=O 1871393571 WTKQXPSZHSQDAN-JCMHNJIXSA-N 445.506 6.012 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCCCOc4ccccc4)ccc3C2=O)cc1OC 1871397465 RVATYUMCEJCGOD-XYGWBWBKSA-N 432.472 5.168 30 10 IKEE CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(C)o1)C2=O 1871402632 KTBQSMJLJRSLLG-ZGWJWYQGSA-N 433.460 5.009 30 10 IKEE O=C1/C(=C/C=C/c2ccccc2)Oc2cc(OCCCOc3ccc(Cl)cc3)ccc21 1871404444 BCSCNDQGKKVFNA-WCLLSMSRSA-N 432.903 6.360 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2)C3=O)cc1 1871410163 ASHHAVDMLZFNMC-BEXDPUPVSA-N 427.500 5.580 30 10 IKEE O=C1/C(=C/c2cccc([N+](=O)[O-])c2)Oc2cc(OC(c3ccccc3)c3ccccc3)ccc21 1871431013 RTCZDKWPNMAGFZ-ONUIUJJFSA-N 449.462 6.379 30 10 IKEE CCCCCCCCN=c1nc(N(CCC)CCCC)[nH]c(=Nc2cccc(OC)c2)[nH]1 1871666526 GLESOONCKQHUCA-UHFFFAOYSA-N 442.652 5.257 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccccc1CC)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872468098 VDFHYQGYASYWQN-DEOSSOPVSA-N 442.625 5.096 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@@H](C#N)C(=O)Cc2ccccc2[N+](=O)[O-])n1 1872784452 UFXSRZHZYOWJTI-HNNXBMFYSA-N 441.896 5.108 30 10 IKEE COc1c(Cl)cc(-c2csc([C@@H](C#N)C(=O)Cc3cc(C)ccc3C)n2)cc1Cl 1872785502 OOVWDQZUJJAJEB-INIZCTEOSA-N 445.371 6.161 30 10 IKEE Cc1cc(C)c(-c2csc([C@H](C#N)C(=O)CCCOc3ccccc3Cl)n2)c(C)c1 1872785850 ATXJIQZJUIGTKC-GOSISDBHSA-N 438.980 6.424 30 10 IKEE Cc1cc(C)c(C2=C(Nc3ccccc3C#N)C(=O)N(Cc3ccc(F)cc3)C2=O)c(C)c1 1873327166 IZJFZESYXMZJJQ-UHFFFAOYSA-N 439.490 5.015 30 10 IKEE C=C(C)CSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1ccccc1C 1874206000 FMGBVBIZIKZSOI-BHGWPJFGSA-N 447.391 6.023 30 10 IKEE C=CCSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1ccc(C(C)C)cc1 1874226691 XLPNYMKLXHDTKY-OVVQPSECSA-N 448.636 6.190 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCC)n1/N=C/c1cccc(Cl)c1 1874227196 SWCVXLMEYLBGJE-OEAKJJBVSA-N 428.945 5.070 30 10 IKEE CCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(OC)c(OC)c1 1874270466 CNBPQFARLZAXOM-PCLIKHOPSA-N 432.549 5.034 30 10 IKEE CCSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1ccc(C(F)(F)F)cc1 1874327118 XJJPOEYZAFVYNH-BRJLIKDPSA-N 434.487 5.487 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1ccccc1OC(C)C 1874329767 DRFRHJOIEAVTLZ-JVWAILMASA-N 448.636 6.018 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3)n2/N=C/c2sccc2C)cc1C 1874329941 IQJMGGCRCJEGDK-WGOQTCKBSA-N 446.645 6.225 30 10 IKEE Clc1cccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2Cl)c1 1874367136 NDECMZMSIRZYCI-AFUMVMLFSA-N 439.371 6.426 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(-c2ccco2)n1/N=C/c1ccccn1 1874468089 QOCFLGHKXIYUEH-FOKLQQMPSA-N 430.320 5.414 30 10 IKEE CCOc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2C(C)(C)C)cc1OC 1874484424 VQRILWPRLXZRBS-KOEQRZSOSA-N 438.597 5.200 30 10 IKEE CCCOc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2cc(C)ccc2C)cc1 1874489701 GJIBWAIZLVLLQU-WGOQTCKBSA-N 436.625 6.057 30 10 IKEE CCCc1nnc(SCc2ccc(C(=O)OC)o2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874507606 LVBXOINZYWJKOZ-ZVHZXABRSA-N 440.569 5.082 30 10 IKEE CC(C)c1nnc(SCCO)n1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1874517396 RKBBOBSBPWWRQG-WGOQTCKBSA-N 446.576 5.100 30 10 IKEE COc1cccc(/C=C/C(=O)c2cccc3ccccc23)c1OCC(=O)Nc1nccs1 1874583607 WODCRLIVTPLDSW-OUKQBFOZSA-N 444.512 5.219 30 10 IKEE CCCOC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1c(C)c(C)cc(C)c1C 1874587105 VMNRBHIYZNSIIM-OUKQBFOZSA-N 430.544 6.302 30 10 IKEE CCOC(=O)c1ccc(COc2cccc(/C=C/C(=O)c3ccc(OC)c(C)c3C)c2)o1 1874598512 PQGRAYUVNLZTQZ-FMIVXFBMSA-N 434.488 5.557 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OCC(=O)N[C@@H](C)c1ccccc1 1874614812 ZYMAAPPFTZJFRP-QKAYDNCFSA-N 449.934 5.501 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)ccc1OCc1cccc(Cl)c1 1874639209 OCZSTDKFIBISON-RMKNXTFCSA-N 443.326 6.486 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OC(=O)c1ccc(N(C)C)cc1 1874696891 HJCPMOCTZJDAOE-RIYZIHGNSA-N 435.907 5.530 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccc(C)cc3)c2)cc1 1874700328 MMRVDLVYNBTFHK-OQLLNIDSSA-N 430.500 5.447 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(N(C)C)cc3)c2)cc1F 1874706837 BMRYNZXHEJPXMP-LFYBBSHMSA-N 449.478 5.024 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(Cl)c3)c(OC)c2)cc1C 1875108843 JGXRLMMPMKKXRO-JXMROGBWSA-N 436.891 5.781 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)c1cccs1 1875121121 AFEJULHZBMLMFK-CMDGGOBGSA-N 428.893 5.534 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3cccc(Cl)c3)cc2)cc1C(C)C 1875162404 BMHXNPWLPAVCBW-JLHYYAGUSA-N 448.946 6.896 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)CCc1ccccc1 1875183620 KSLLTVQKMXGKHC-SDNWHVSQSA-N 442.555 6.445 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)C1CCCC1 1875184402 BOUZNRVKSBFSQW-OUKQBFOZSA-N 432.560 6.341 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(C(F)(F)F)cc3F)ccc21 1890499930 MOEONGPQHKPQLW-UHFFFAOYSA-N 436.405 5.034 30 10 IKEE C[C@H](C#N)c1cccc(C(=O)N[C@@H]2CCc3nc4ncc(-c5ccccc5)cc4cc3C2)c1 1890871080 IAQMHOQOKJLUJB-IQGLISFBSA-N 432.527 5.211 30 10 IKEE CCCCCCC[C@@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](F)C(=O)O 1927472528 OFEMWOADDLGDME-JYFHCDHNSA-N 441.543 6.067 30 10 IKEE N#Cc1c(Cl)cccc1NCCCONC(=O)OCC1c2ccccc2-c2ccccc21 1959288276 ADQMGAFFNMFJNX-UHFFFAOYSA-N 447.922 5.484 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)C2(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1997647240 PLOKAKAONOTSPX-NWMVZANLSA-N 447.601 5.024 30 10 IKEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 1999940786 FDJOVVXTZNHZEQ-MHECFPHRSA-N 435.609 5.486 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](C[C@H](C)COCc2ccccc2)NCCC)C1 2011718609 CMTWFEUGMGJNAN-REWPJTCUSA-N 430.633 5.459 30 10 IKEE C[Si](C)(C)C#CC[C@H](N)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2016690606 IXCNQJZSGHOFMZ-VWLOTQADSA-N 429.636 6.115 30 10 IKEE COc1ccc(N(C(C)=O)c2nc(C=CC(=O)c3ccccc3C(F)(F)F)cs2)cc1 2040484225 XQUHFQTYXMWJDS-UHFFFAOYSA-N 446.450 5.751 30 10 IKEE CCCCCCCCC[C@H](O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2041885848 BXCDORYQNLBAPZ-IGKIAQTJSA-N 447.660 6.332 30 10 IKEE C=C1CC[C@H](O)CC1=CC=C1CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@H](C)C=C[C@](C)(O)C(C)(C)O 2053621865 BPEQZNMKGFTMQE-XLKGSAELSA-N 428.657 5.871 30 10 IKEE O[C@H](C[C@@H]1CCC[C@H]2O[C@H]12)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071325285 VNSIDHNYFRPCNB-ONRXEWETSA-N 430.544 5.836 30 10 IKEE CCOc1ccc([C@H](n2nc(C(C)C)c(C#N)c2I)C2(C)CC2)cc1 2080079824 MHCWGLPMSMUDMH-SFHVURJKSA-N 449.336 5.271 30 10 IKEE CCCN[C@]1(C#N)C[C@@H](CC)C[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)C1 2118769539 KWKDAMLAABDANV-RFYMFKDESA-N 446.683 5.461 30 10 IKEE CCCN[C@]1(C#N)C[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)CC(C)(C)C1 2127194156 ZMDSATGXNADVCV-LMSSTIIKSA-N 446.683 5.461 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)C(C)(C)[C@@H]1CCCCO1 2151437237 KJWAXVBQKRGCKN-MSOLQXFVSA-N 437.378 5.678 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CC[C@@H](Nc3cc(Br)ccc3C#N)C2)CC1 2155285323 XZYJCESBWHUTMZ-QGZVFWFLSA-N 434.378 5.302 30 10 IKEE COc1cc(Br)ccc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1C 2165550891 GGJPANGQCWBIGJ-SFHVURJKSA-N 431.330 5.773 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@](C)(CNC(=O)OC(C)(C)C)C(F)(F)F)NCC 2216270136 CGDQQHYBXWUAAB-SIKLNZKXSA-N 444.538 5.221 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1sc(C)c(C)c1Br 2221829241 DQIJVYPPOKFCJU-GDBMZVCRSA-N 429.424 5.085 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2cccc(Br)c2C#N)C[C@@H]2CCCC[C@@H]21 2240971717 GGPOQQTXFZSJJL-DOXZYTNZSA-N 434.378 5.301 30 10 IKEE C=CC[C@]1(COc2nc(Cl)c(Cl)cc2Cl)CCCCN1C(=O)OC(C)(C)C 2287732191 RDCRGHYOMSCIAP-LJQANCHMSA-N 435.779 6.157 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1CCC(=O)C#Cc1cccc(Br)c1 2296223725 CMGPKQNVKSUQBK-YLJYHZDGSA-N 434.374 5.233 30 10 IKEE CCCOc1ccc(C(=O)C(=Cc2ccc(OCC)cc2)c2nc3ccccc3o2)cc1 2296845227 JHLIWRAMKDOLTA-UHFFFAOYSA-N 427.500 6.439 30 10 IKEE COc1ccc(COc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2Cl)C3=O)cc1 2314438358 PTWCWQYAMICHQV-UHFFFAOYSA-N 427.283 6.197 30 10 IKEE COc1cccc(C=C2SC(=Nc3cccc(C)n3)N(c3ccccc3)C2=O)c1OC 2314539820 BNEHAQLJUYUNPH-UHFFFAOYSA-N 431.517 5.216 30 10 IKEE Cc1nc(N(C)C)sc1C=Nn1c(SCc2ccc(Cl)cc2)nnc1C(C)C 2321836265 TUGZDBSWKDNDHV-UHFFFAOYSA-N 435.022 5.060 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2Cl)Oc2c1ccc1c2CN(Cc2ccccc2)CO1 2321978719 DZDSGTTYVGWTBV-UHFFFAOYSA-N 438.310 5.962 30 10 IKEE CCc1ccc([C@@H](C)N2COc3cc(C)c4c(c3C2)OC(=Cc2cccs2)C4=O)cc1 2322260122 BNRQNZALMWKZLQ-QGZVFWFLSA-N 431.557 6.148 30 10 IKEE COc1ccc2ccccc2c1C=NNc1cnn(-c2ccc(Cl)cc2)c(=O)c1Cl 2322611778 NBYONJOWBUMTLJ-UHFFFAOYSA-N 439.302 5.147 30 10 IKEE Cc1ccc(NC(=O)COc2ccccc2C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1 2322836696 ZDGVDQAWJCVVLA-UHFFFAOYSA-N 427.544 6.142 30 10 IKEE COc1ccccc1C=C1Oc2cc(OC(=O)c3cc4cc(Cl)ccc4o3)ccc2C1=O 2322845561 HSJGRGFWUUGTPH-UHFFFAOYSA-N 446.842 5.930 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1c(OCCc2ccccc2)ccc2ccccc12 2322851604 UYPLDFJKGYSAIE-UHFFFAOYSA-N 436.551 6.983 30 10 IKEE O=C(C=Cc1cccc(OCc2cccc3ccccc23)c1)c1ccc(Br)cc1 2323081488 AVOZQBFYCMIZMK-UHFFFAOYSA-N 443.340 7.077 30 10 IKEE O=C(C=Cc1ccco1)Oc1ccc2c(c1)OC(=Cc1ccccc1Br)C2=O 2323157719 HWGOWOZGNJBBRN-UHFFFAOYSA-N 437.245 5.277 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OCc3c(Cl)cccc3Cl)c2)cc1C 2323318125 YZUACFVRPDLSMZ-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE CCCOc1ccccc1C=CC(=O)Oc1ccc2c(c1C)OC(=Cc1ccncc1)C2=O 2323341828 SDIUPEIFDIIDOL-UHFFFAOYSA-N 441.483 5.414 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)C=Cc1ccc(C(C)(C)C)cc1 2323446863 QBGQJGRPWHOIIZ-XMMPIXPASA-N 428.661 6.149 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)c(OCC(=O)OCC(C)C)c(OC)c2)cc1 2323461286 UVTHMMQDWMKPHL-UHFFFAOYSA-N 430.928 5.385 30 10 IKEE O=C(C=Cc1cccs1)Oc1ccc2c(c1)OC(=Cc1c(F)cccc1Cl)C2=O 2323517634 LEFNQANMTOTSPZ-UHFFFAOYSA-N 426.852 5.776 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)CC1 2323650749 BMDDQQIFJHKVAC-UHFFFAOYSA-N 447.575 6.271 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1C 2323675367 GQRYHPCUFCRXKK-UHFFFAOYSA-N 430.460 5.125 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OCc1ccc(C(=O)OC)o1 2323865460 DNWYITLSNAIYJW-UHFFFAOYSA-N 434.488 5.557 30 10 IKEE COc1c(Cl)cc(C=NNc2nc(-c3cccs3)c(C)s2)c(OC)c1Cl 2323866163 YBDPPPUOFIUJLN-UHFFFAOYSA-N 428.366 5.950 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(Br)c1OCCCO 2324070486 GEARLOSSKUMRGU-UHFFFAOYSA-N 447.369 5.413 30 10 IKEE CCN(CCc1ccncc1)Cc1c(O)cc(C)c2c1OC(=Cc1sccc1C)C2=O 2324091312 FJXJPBORYWSWTD-UHFFFAOYSA-N 434.561 5.146 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OCc1ccccc1Cl 2324257544 NLSNTYCPEPASLD-UHFFFAOYSA-N 428.862 6.492 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc(Cl)c1OCCCO 2324265143 JOOYYPJTCHAPEX-UHFFFAOYSA-N 446.971 5.836 30 10 IKEE Cc1c(OCCCc2ccccc2)ccc2c1OC(=Cc1ccc(Br)cc1)C2=O 2324280943 BCFNEOWCAORSNK-UHFFFAOYSA-N 449.344 6.385 30 10 IKEE N#C[C@@H](C(=O)C=Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ccccc2Cl)cs1 2324425891 CWQKFVSOSADGCE-AWEZNQCLSA-N 433.747 6.660 30 10 IKEE CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2cccs2)C3=O)c1 2324825986 WWNXCFBGQBNZGE-MRXNPFEDSA-N 447.512 5.281 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2cccc(F)c2)C3=O)c(Cl)c1 2325294538 RDCPCDNNXQOUIG-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1N=Cc1cccc(OC)c1OCC 2325513243 YQTADWZFGJTNKI-UHFFFAOYSA-N 442.560 5.342 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccc(C)c(C)c3)c2)cc1 2325718165 OWIDZQJXTHRJFU-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(F)cc2)cc2c1C(=O)C(=Cc1ccccc1Cl)O2 2325728021 PGNFSTFYPJXEHT-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(OCC(C)C)cc1 2326637686 YHQRUYCOQPQEAT-UHFFFAOYSA-N 444.604 6.203 30 10 IKEE CCCCCCCCCOc1ccc(C=NN=c2[nH]c3ccccc3[nH]c2=O)cc1Cl 2328813982 LURNKVDMKPUQBA-UHFFFAOYSA-N 440.975 5.574 30 10 IKEE Cc1cccc(C=Nn2c(Cc3ccccc3F)nnc2SCc2cccc(C)c2)c1 2329717130 ILOCYZGLHBBZGB-UHFFFAOYSA-N 430.552 5.799 30 10 IKEE C=C(C)CSc1nnc(Cc2ccccc2F)n1N=Cc1c(Cl)cccc1Cl 2329741064 RRVFFEPKFWDIPO-UHFFFAOYSA-N 435.355 5.865 30 10 IKEE Fc1ccc(Cc2nnc(SCc3cccc(F)c3)n2N=Cc2cccc(F)c2)cc1 2329820015 XSXQESFNHXNYSN-UHFFFAOYSA-N 438.478 5.461 30 10 IKEE Cc1ccc(CSc2nnc([C@@H](C)c3ccccc3)n2N=Cc2ccc(F)cc2)cc1 2330050541 OBCBJGIKOHJHHI-IBGZPJMESA-N 430.552 6.052 30 10 IKEE Cc1ccccc1CSc1nnc(CC2CCCCC2)n1N=Cc1ccc(O)c(O)c1 2330232898 ZDIJKNXWXJHMCQ-UHFFFAOYSA-N 436.581 5.295 30 10 IKEE Clc1ccccc1C=Nn1c(SCc2ccccc2Cl)nnc1-c1ccccc1 2330674799 KADSDWMEKDAOQU-UHFFFAOYSA-N 439.371 6.426 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3ccccc3C)c(OC)c2)cc1 2330742625 FWDBNNQTUKNLJQ-UHFFFAOYSA-N 430.500 5.690 30 10 IKEE Cc1cccc(C=Nn2c(SCC(=O)Nc3c(C)cccc3C)nnc2C2CCCC2)c1 2331063909 PGWFDYVUURCYBW-UHFFFAOYSA-N 447.608 5.474 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1)c1ccc(Cl)cc1 2331141363 ZGVYWTNBAARHJA-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)c1cccs1 2331214853 SBPBXOPBQWSMPI-UHFFFAOYSA-N 426.921 6.142 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3ccccc3)cc2)cc1 2331294286 LBVJSSHMNUIGKX-UHFFFAOYSA-N 444.527 6.136 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)CC1CCCCC1 2331328764 JHEALWKJXQDPAH-UHFFFAOYSA-N 446.587 6.812 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(C)c3)cc2)cc1 2331331935 JZVDLOXPZJVDRW-UHFFFAOYSA-N 432.491 5.967 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc([N+](=O)[O-])c1OC(=O)C1CCCC1 2331343798 SYELEOSEALVACT-UHFFFAOYSA-N 441.455 5.433 30 10 IKEE CC(C)(C)c1nnc(SCc2ccccc2F)n1N=Cc1ccc(Cl)cc1Cl 2331396959 RUDBCCWUOWCARP-UHFFFAOYSA-N 437.371 6.196 30 10 IKEE COc1ccc(C=Nn2c(CC(C)C)nnc2SCc2ccc(Cl)cc2)c(OC)c1 2331468170 HAWPAIJLOQAGFR-UHFFFAOYSA-N 444.988 5.322 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)Cc1cc(C)ccc1C 2331517703 SEMGABUOZAUGBZ-UHFFFAOYSA-N 448.490 5.504 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)c1c(F)cccc1Cl 2331541443 KHVSGQFOSJDENR-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OC(=O)[C@@H](C)c1ccccc1 2331566072 DDWLNPFLZSYZEZ-KRWDZBQOSA-N 436.454 5.969 30 10 IKEE CC(C)c1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccccc1C(=O)O 2331715113 BXIPICCPONUFJR-UHFFFAOYSA-N 432.908 5.067 30 10 IKEE C#C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@@H]3CC[C@]21C 2333301293 AIIXYCDTEGICEE-XLDJOFHQSA-N 439.603 5.204 30 10 IKEE CCCCCCCCCCc1ccc(-c2ccc(C(=O)N[C@H](C)C(=O)OCC)cc2)cc1 8383694 ZEKHYCOBVASXFI-JOCHJYFZSA-N 437.624 6.718 30 10 IKEE C=CCSc1ccc(NC(=O)c2sc3nc(-c4cccc(OC)c4)ccc3c2N)cc1 8733634 NNZPJQACTMZGNL-UHFFFAOYSA-N 447.585 6.085 30 10 IKEE CCC(C)(C)C1C/C(=C/c2ccc(OC)c(O)c2)C(=O)/C(=C/c2ccc(OC)c(O)c2)C1 13039795 HFKOCTMPNGULNM-UHWBUFEVSA-N 436.548 5.997 30 10 IKEE CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(Cl)c2Cl)cc1 21235187 MUZSJEWLPQHFSH-MAUKXSAKSA-N 442.386 6.295 30 10 IKEE CC(C)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1 21255104 QXPILELFXABMFP-PIKZIKFNSA-N 442.990 7.443 30 10 IKEE CC[C@@H]1S/C(=N/N=C/c2cccc3ccccc23)N(Cc2cccc3ccccc23)C1=O 33371842 SGZYKMMJIROBTI-AKBOQNEDSA-N 437.568 6.237 30 10 IKEE O=[N+]([O-])c1cccc(-c2n[nH]cc2/C=C2\SC(O)=N\C2=N\c2ccc(Cl)cc2)c1 35516494 PTRBUCMQMLUOQT-SXGWCWSVSA-N 425.857 5.370 30 10 IKEE Cc1cc(C)c2c(C)c(C(=O)c3c(C)c(C#N)c(=O)n([C@H](C)c4ccccc4)c3O)oc2c1 38623505 VXCMKJBOPLERCX-GOSISDBHSA-N 440.499 5.246 30 10 IKEE C=CCOc1cccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccc(F)cc2)c1 39876749 KPIWRMMEGGIQQD-HSZRJFAPSA-N 445.421 5.386 30 10 IKEE C=CCc1ccccc1OCCn1c(Cc2ccc(OC)c(OC)c2)nc2ccccc21 40226264 SOWZIROOJYSMHJ-UHFFFAOYSA-N 428.532 5.452 30 10 IKEE C[C@H](c1ccccc1)N1COc2ccc3c(c2C1)O/C(=C\c1ccc(C(C)(C)C)cc1)C3=O 41659186 RTGPPOZLOOKWBX-NLULDLIBSA-N 439.555 6.513 30 10 IKEE O=[N+]([O-])c1ccc(N/N=C(/CSc2nc3ccccc3s2)c2ccc(F)cc2)cc1 59460517 VKHZYKQBSFXFAV-PLRJNAJWSA-N 438.509 5.952 30 10 IKEE N#Cc1c(/C=C\c2ccc(F)cc2)nc2c(c1-c1ccc3c(c1)OCO3)C(=O)c1ccccc1-2 98023548 GBXNYXZIJQGOTF-XFFZJAGNSA-N 446.437 5.870 30 10 IKEE CCCCCCCCCCCCCCCCNCC(=O)Nc1ccc(OCCCC)cc1 100055668 NJWHHFOUXNPDAA-UHFFFAOYSA-N 446.720 7.875 30 10 IKEE CC1(C)CC(=O)C([C@H](C2=C(O)CC(C)(C)CC2=O)c2ccc(-c3ccccc3)cc2)C(=O)C1 100133303 GRWOLWSIKOETCR-RUZDIDTESA-N 444.571 6.213 30 10 IKEE C=CCN1C(=O)C[C@@H](C(=O)Nc2ccc(Cl)cc2)S/C1=N/c1ccc(Cl)cc1 100401210 SUUOKAQVXPRLDV-OVJLLXBISA-N 434.348 5.140 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(N(CC)CC)c1[N+](=O)[O-] 101467841 WFTZZGSBPAJCTM-UHFFFAOYSA-N 435.657 7.124 30 10 IKEE CCCCCCCCCCCCn1c([C@H]2CC(=O)N(C3CCCC3)C2)nc2ccccc21 102107306 UYZKAZMNZLQOIZ-QHCPKHFHSA-N 437.672 7.216 30 10 IKEE Cc1ccc(-n2c(NC(=O)/C=C\c3ccccc3)c(C#N)c3nc4ccccc4nc32)cc1 103870757 VDBKQFZDVAWQSD-SSZFMOIBSA-N 429.483 5.406 30 10 IKEE Fc1ccc(N/N=C/c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1 169879152 AGZIRZBIKCYOJO-AWUWXFTQSA-N 434.518 6.627 30 10 IKEE N#Cc1cccc(Cn2c(Cc3ccc(Cl)cc3)nc3sc4c(c3c2=O)CCC4)c1 169905952 KPSXPBDBXYGYQV-UHFFFAOYSA-N 431.948 5.111 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 169925330 GSEWYVYFFUZDST-XMMPIXPASA-N 427.500 5.403 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(C)c2C)c1 169933961 KGLIYULWYMBKFU-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccc(C(C)C)cc2)c1 169967576 KUAJNAJDDRIEIW-SANMLTNESA-N 439.555 6.518 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2cccc(C)c2)c1 170035930 ZKRGUJCSLGXLIQ-XMMPIXPASA-N 443.499 5.185 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccccc2C)c1 170086219 BZSUQHGTZXOKGJ-DEOSSOPVSA-N 439.467 5.533 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccs2)c1 170156462 PVGIDLLWAMEAAG-JOCHJYFZSA-N 433.529 5.628 30 10 IKEE Cc1ccc(-c2nc(C3=C(N)N(c4cc(Cl)cc(Cl)c4)CC3=O)sc2C)cc1 170179332 VPFJCFKEOYSNEX-UHFFFAOYSA-N 430.360 5.450 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC(C)C)cc3)[C@@H]2c2cccnc2)cc1 170189308 FBUAOBKLCTWMRM-DEOSSOPVSA-N 442.515 5.208 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccncc2)cc1 170201081 DTZCIYWQVYXVGL-DEOSSOPVSA-N 442.515 5.214 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1ccc(O)c(Cl)c1 170220279 QJZBDDBSSCWHPW-LJQANCHMSA-N 446.286 5.434 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@H]1c1ccccc1 170228914 SDQGTFHYEQIQAC-XMMPIXPASA-N 425.484 5.103 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@@H]1c1ccc(CC)cc1 170268250 DRENOEGNPAFYAP-VWLOTQADSA-N 449.591 6.150 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2C)cc1C 170272237 NJPALYUEBUJUSA-XMMPIXPASA-N 427.500 5.485 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccc2C)c1 170273026 UYNPDZWEYXEMMJ-XMMPIXPASA-N 427.500 5.485 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(Cl)ccc2C)[C@@H]1c1ccco1 170284359 OOQVGFMIGSAAKV-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccco2)cc1C 170286058 QMOIADPPKSDVCR-HSZRJFAPSA-N 431.488 5.386 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1ccco1)c1ccc2ccccc2c1 170290567 RIKGIKRSKXNUOA-JOCHJYFZSA-N 431.394 5.494 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(C)o2)c(C)c1 170304967 YIJKBXRXTFRCDX-BXKMTCNYSA-N 443.499 5.311 30 10 IKEE CC(C)OC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccccc2)cc1 170372335 KJCVYPZWZPGQER-OAQYLSRUSA-N 447.512 5.096 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)cc1 170391497 HNCDIERNXWZGDS-NRFANRHFSA-N 436.870 5.219 30 10 IKEE C=C(C(=O)Nc1ccccc1)[C@H]([C@@H](O)CCCCCCCC)S(=O)(=O)c1ccccc1 196948154 UEOVPIUCXLDGGD-BJKOFHAPSA-N 443.609 5.135 30 10 IKEE C=CCSc1nnc2c(n1)O[C@H]([C@@H]1C[C@H]3C(=CCCC3(C)C)C[C@H]1C)Nc1ccccc1-2 245226588 FFPWFNSTHNZZLR-LOODEUFTSA-N 448.636 6.356 30 10 IKEE biogenic O=c1oc2ccc3ccccc3c2cc1-c1cnc(NN=Cc2ccc([N+](=O)[O-])cc2)s1 254413515 SYVISQYMONQDKO-UHFFFAOYSA-N 442.456 5.424 30 10 IKEE CCc1ccc2oc(-c3cccc(N=Cc4cc([N+](=O)[O-])cc([N+](=O)[O-])c4O)c3)nc2c1 254607908 RDJZNYJIZABNIN-UHFFFAOYSA-N 432.392 5.330 30 10 IKEE CC1(C)OB(c2cccc(COc3cc(F)c(Br)cc3Cl)c2)OC1(C)C 302591534 GTMAKTHPDUENNV-UHFFFAOYSA-N 441.533 5.120 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)cc1F)NCCC 406900023 SWVVUVSTSDZUOS-RBUKOAKNSA-N 443.401 5.358 30 10 IKEE CCCOc1ccc([C@@H]2C(c3ccc(OC)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526604553 OXBRLWKMKXLFQM-RUZDIDTESA-N 440.499 5.413 30 10 IKEE CCCOc1ccc(/C=N\n2c(C)nnc2SCc2cccc(Cl)c2)cc1OCC 526812446 WBILALBNOKYWEA-OYKKKHCWSA-N 444.988 5.602 30 10 IKEE N#Cc1ccc(Nc2cc(Cl)ccc2I)c(Br)c1 690212977 NQIKIFMQJOLFHW-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@](C)(C#N)c1cc(Cl)cc(Cl)c1F 692303740 ZYJLVXDKYCYBQB-LJQANCHMSA-N 429.344 6.370 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@](C)(C#N)C(c1ccccc1)c1ccccc1 698408406 RNJZIDDESXNEIO-MUUNZHRXSA-N 426.560 6.538 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@](C#N)(N(C(=O)OC(C)(C)C)c3ccccc3)CC[C@H]2C1 698441556 BCTCOYQKUBZBGF-CEYNDMKZSA-N 441.572 5.357 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCc2c(F)cccc21 698481254 FOJUFSXMJFETBH-NRFANRHFSA-N 431.305 5.695 30 10 IKEE 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)c1ccc(F)cc1 710715948 JBXUYMKLLLDYDZ-KILLWLNWSA-N 445.535 5.105 30 10 IKEE CC(C)(C)OC(=O)NC1CCC(C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)CC1 724079019 OIOUKYJRCYFIFP-UHFFFAOYSA-N 433.524 5.297 30 10 IKEE O=S(=O)(c1ccc(N=Cc2cc(Cl)cc(Cl)c2O)cc1)N1CCCCCC1 725380379 MVJHEAGSVBENKG-UHFFFAOYSA-N 427.353 5.014 30 10 IKEE CC(=O)N(c1nc(/C=C2\Oc3cc(F)cc(F)c3C2=O)cs1)c1ccc(F)cc1F 758028040 BOZQSRXIPOXMAH-IDUWFGFVSA-N 434.370 5.000 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)NC(=O)Nc2ccc(N3CCC(C)CC3)cc2)c1 821204241 CYENIHBRXKWPEM-UHFFFAOYSA-N 434.584 5.722 30 10 IKEE O=S(=O)(Nc1nccs1)c1ccc(N=Cc2ccc(OCc3ccccc3)cc2)cc1 1084241827 ZWABRQDTCQGVLF-UHFFFAOYSA-N 449.557 5.274 30 10 IKEE C[C@@H]1CC(=Nc2c(Cl)cccc2Cl)c2cc(F)ccc2N1C(=O)c1ccc(F)cc1 1088681220 SIGPKNOWRRMSCT-CYBMUJFWSA-N 445.296 6.831 30 10 IKEE C=CCC(C)(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCc2c(ccnc2O)C1 1359183247 GUJCLDIRKDKFDW-NRFANRHFSA-N 431.584 5.086 30 10 IKEE CC1(C)CC(=O)c2cc(C(=O)Nc3ccc(Sc4ccccc4C#N)cc3)c(O)nc2C1 1449564413 CFTQZVNCFCOGLU-UHFFFAOYSA-N 443.528 5.217 30 10 IKEE Cc1cccc(N2C(=O)CS/C2=N/N=C2\Oc3ccccc3[CH][C@H]2c2ccccc2)c1 1614733009 OGYKUCWERYJLSE-YRKUEKGHSA-N 426.521 5.173 30 10 IKEE Cc1cc(C)cc(-n2c(C)cc3c2CC(C)(C)CC3=NOC(=O)c2cccc(Cl)c2)c1 1772728261 BENOMGUAHCULIZ-UHFFFAOYSA-N 434.967 6.589 30 10 IKEE O=C(O)c1cccc(N=C2S/C(=C/c3ccc(Cl)cc3)C(=O)N2c2ccccc2)c1 1772736277 LNBYWFSISXFPNN-UFDKDONYSA-N 434.904 5.847 30 10 IKEE Cc1cccc(C[C@@H]2SC(=NN=Cc3c(-c4ccccc4)[nH]c4ccccc34)NC2=O)c1 1772742035 VCCHRDVGIKCSBR-QHCPKHFHSA-N 438.556 5.308 30 10 IKEE CCn1c2ccccc2c2nnc(NN=Cc3cn(Cc4ccccc4)c4ccccc34)nc21 1772764818 FPSQRYJEZUTHSP-UHFFFAOYSA-N 445.530 5.448 30 10 IKEE COc1cccc(-n2cc(/C=N\NC(=S)Nc3ccccc3)c(-c3ccc(C)cc3)n2)c1 1857809769 YRDMWSUBTBNPTA-QQXSKIMKSA-N 441.560 5.177 30 10 IKEE CC(=O)c1c(C)oc(NC(=O)c2cc(C(C)C)nc3c(Br)cccc23)c1C#N 1859655390 WPHRGQPIBBCHOA-UHFFFAOYSA-N 440.297 5.349 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)CCCOc1ccc(C)cc1 1861689894 JOCCLMPOISMBQJ-AREMUKBSSA-N 432.649 5.696 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(Cl)cc1 1862385654 UYXFFTVYVKWAOP-GOSISDBHSA-N 438.738 6.025 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccccc1 1862412957 RHWCJFMXKHQIAR-XMSQKQJNSA-N 427.491 5.902 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2cccs2)c1 1862431987 SWJINYWPROXFON-HXUWFJFHSA-N 439.920 5.189 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(O)cc1 1862441718 BZLDUMBSJUGPKW-QRQCRPRQSA-N 433.891 5.385 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CC2)cc1OCC 1862484548 QSDSUADKTMVZMW-DEOSSOPVSA-N 449.547 5.313 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(C(C)C)cc2)c1 1862492814 AQTLRVZYKSIASA-AREMUKBSSA-N 445.603 6.728 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2cccc(F)c2)cc1 1862530095 NENLMZWFFFDOGR-XMMPIXPASA-N 433.523 5.857 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(Cl)cc2Cl)cc1 1862539133 PFYQYJVTAKQIIM-OAQYLSRUSA-N 444.358 6.077 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccccc1Cl 1862595782 PUOFLBZJWDOULD-XWRIVVANSA-N 425.912 5.203 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2C(=O)O)cc1 1862616480 SFBBUPAFFKJDEK-JOCHJYFZSA-N 447.531 5.203 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2C2CC2)cc1 1862693515 MONMMIXZFKFBAK-QHCPKHFHSA-N 435.520 5.005 30 10 IKEE Cc1ccc(NC2=C(c3cccc4ccccc34)C(=O)N(c3cccc(C#N)c3)C2=O)cc1C 1862850055 KHIUALZVNQIMNZ-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE C=CCN1C(=O)C(Nc2cccc(N(CCC)CCC)c2)=C(c2c[nH]c3ccccc23)C1=O 1863498731 VKFSPRZISILZEH-UHFFFAOYSA-N 442.563 5.172 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(F)cc2)C(=O)N(CCOC(C)C)C1=O 1863502719 OJAOEFICBONZHQ-UHFFFAOYSA-N 432.580 5.061 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCCC)=C(c2ccc(OC(C)C)cc2)C1=O 1863696285 IXXGWNXIHMUQDI-UHFFFAOYSA-N 428.617 5.694 30 10 IKEE CCCC[C@H](NC(=O)C[C@@H](c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1cccc(C#N)c1 1866728582 ZUXIWLIDODMVEV-RPBOFIJWSA-N 431.580 5.373 30 10 IKEE COc1ccc2c(c1)C[C@H](C)CN2c1cc(Nc2cccc(C#N)c2)nc(-c2cccnc2)n1 1868552920 FVRTZSOHEVULDT-SFHVURJKSA-N 448.530 5.493 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)Nc2cccc(Cl)c2)c(=O)cc1C 1870085202 LGZDWENNPAKQFO-UHFFFAOYSA-N 432.992 5.968 30 10 IKEE C=CCn1cc(OCc2ccc(C)cc2)c(=O)cc1CN1CCC(Cc2ccccc2)CC1 1870768005 IRKPFZCDPGPYIF-UHFFFAOYSA-N 442.603 5.376 30 10 IKEE C=CCOc1cn(Cc2ccccc2Cl)c(CNc2cccc(C(C)(C)C)c2)cc1=O 1870810012 HCPIWVFCWUVRII-UHFFFAOYSA-N 436.983 6.024 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1cccc(Cl)c1)C3=O)CN(CCc1ccccc1)CO2 1871349081 SYQHRUPVALCZDF-QRVIBDJDSA-N 431.919 5.659 30 10 IKEE CCCCOCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(C(C)C)cc1)C3=O 1871350917 ZZPXWCYZCIPBBT-XYGWBWBKSA-N 435.564 5.785 30 10 IKEE Cc1cc(O)c(CN(C2CCCCC2)C2CCCCC2)c2c1C(=O)/C(=C/c1ccncc1)O2 1871393158 REDDPKYRKHCXEE-UQQQWYQISA-N 446.591 6.179 30 10 IKEE Cc1cc(O)c(CN2C[C@@H](C)C[C@@H](C)C2)c2c1C(=O)/C(=C/c1cn(C)c3ccccc13)O2 1871396324 AAUSMVDBEWCWNO-YXMPVBMLSA-N 430.548 5.286 30 10 IKEE Cc1ccc(OCCCCOc2cc(C)c3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871404175 FXGDCMPGDIYFGG-XYGWBWBKSA-N 432.491 6.297 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccncc2)C3=O)c(C)c1 1871413198 BUNDDMYSRHBXJG-PVFDWLMNSA-N 428.488 5.029 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1cccc(F)c1)C2=O 1871424662 RSNWMMRONHSQNJ-QRVIBDJDSA-N 445.490 5.639 30 10 IKEE CCCCCCCCCOc1ccc2c(c1)O/C(=C\c1ccccc1OC(F)F)C2=O 1871429374 DUEZAAGDRRDTKT-KQWNVCNZSA-N 430.491 7.034 30 10 IKEE C=CCN(CC=C)c1nc(=NCc2ccc(F)cc2)nc(Nc2ccc(C(C)(C)C)cc2)[nH]1 1871554372 JDMUSYJAYUSEHF-UHFFFAOYSA-N 446.574 5.264 30 10 IKEE CCCCCCCCN=c1nc(N(CCC)CCC)[nH]c(=Nc2ccccc2CC)[nH]1 1871559480 ZGUPHQDYHLRRLC-UHFFFAOYSA-N 426.653 5.420 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(CC)cc1)[C@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872105797 FPEDILLMRPAKCQ-JPYJTQIMSA-N 446.588 5.008 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(Cl)cc3)n2)c(C)c1C 1872778183 FYOKQXSGCLYTOH-GOSISDBHSA-N 426.925 5.344 30 10 IKEE Cc1cc(C)c(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(C(C)(C)C)cc3)n2)c(C)c1 1872786577 NNIVUYRRXYJSOF-RUCTVCJSSA-N 428.601 6.923 30 10 IKEE CCOc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2cc(C)c(OC)cc2C)cs1 1872787524 LFVNZUAEQULFNH-GOSISDBHSA-N 436.533 5.090 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1OC 1872789777 UXRBPJHOLWWSSG-YVZNUBBCSA-N 444.965 5.822 30 10 IKEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)Nc3cc(C)ccc3C)cc2[nH]1 1872805817 JUUPLDHPQJVIEH-UHFFFAOYSA-N 427.504 5.576 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(Nc2cccc(C#N)c2)=C(c2c(C)cc(C)cc2C)C1=O 1873328224 UPOKDZPQEUNRGB-QHCPKHFHSA-N 443.591 6.034 30 10 IKEE CCCOc1cccc(/C=N/n2c(Cc3cccc4ccccc34)nnc2SCC)c1 1874270928 VXUATYBLHJHEGW-NLRVBDNBSA-N 430.577 5.805 30 10 IKEE Clc1cccc(CSc2nnc(COCc3ccccc3)n2/N=C/c2ccncc2)c1 1874354728 YQFHTPNAFWWEKS-VULFUBBASA-N 449.967 5.218 30 10 IKEE COc1ccc(/C=N/n2c(Cc3ccc(C)cc3)nnc2SCc2ccc(F)cc2)cc1 1874388580 STJWIPOKAZPXEY-JVWAILMASA-N 446.551 5.500 30 10 IKEE CCc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 1874398713 PGGLLRIXIQBORW-MTDXEUNCSA-N 444.579 5.939 30 10 IKEE Fc1ccccc1/C=N/n1c(SCc2cccc(Cl)c2)nnc1-c1cccs1 1874424229 AWRWGFOMRVLOSY-FSJBWODESA-N 428.945 5.974 30 10 IKEE Clc1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2ccc[nH]2)c(Cl)c1 1874424342 GQOJAQAZQWNMJY-LSHDLFTRSA-N 434.377 5.816 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(SCc2ccc(F)cc2)nnc1[C@H]1CCCO1 1874442888 NBVVPIFTJNTOEK-PFRKPPGBSA-N 440.544 5.230 30 10 IKEE CCSc1nnc(C(C)(C)C)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874482248 MCKHUOJGXYHCKW-ZVHZXABRSA-N 428.989 5.802 30 10 IKEE COCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1c[nH]c2ccccc12 1874502484 KBKGIDXUXRHBCK-YSURURNPSA-N 446.363 5.387 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc(C(=O)O)cc1 1874515908 VZFVEJLGUZAIFD-AUEPDCJTSA-N 449.363 5.581 30 10 IKEE CCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1/N=C/c1cccc2ccccc12 1874522315 NIXRBXUBEBQKGX-CVKSISIWSA-N 443.576 5.224 30 10 IKEE C=C(C)CSc1nnc(CC)n1/N=C/c1ccc(OCc2ccccc2)c(OCC)c1 1874526829 JLROAXQBFHXYHG-MFKUBSTISA-N 436.581 5.369 30 10 IKEE Cc1ccc(CSc2nnc(C)n2/N=C/c2ccc(OC(=O)c3ccccc3)cc2)cc1 1874529694 WQAAGQVQXXKASK-WGOQTCKBSA-N 442.544 5.289 30 10 IKEE Clc1ccc(/C=N/n2cnnc2SCc2c(Cl)cccc2Cl)cc1Cl 1874539185 RLGCNODNMZVKTO-QPJQQBGISA-N 432.163 6.066 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2)cc1 1874580077 XCZXCEVWSKICPQ-SFQUDFHCSA-N 429.516 5.697 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1cc(C)ccc1C 1874580325 ITGSNWDBNOYXQL-ACCUITESSA-N 447.962 6.433 30 10 IKEE C[C@@H](NC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(F)cc1)c1ccccc1 1874583736 DGRDJGUBICWHGO-JZUUQJBKSA-N 437.898 5.631 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccc(C)cc3)c2)cc1C 1874600953 LFSOFBVFWJZPTH-JLHYYAGUSA-N 429.516 5.534 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OCC(=O)Nc1cccc(C)c1C 1874618760 RQOKYPVETKFBLZ-ACCUITESSA-N 443.543 5.842 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OCc2cccc(F)c2)c([N+](=O)[O-])c1 1874635159 GXLNQHYFJFAFIE-FMIVXFBMSA-N 447.506 6.815 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3cc(C)c(OC)cc3C)cc2)cc1 1874636500 DEXONUDDFMBLSL-XNTDXEJSSA-N 443.543 5.788 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cccc(OC(=O)CCCOc3c(C)cccc3C)c2)c1 1874703606 XPMRNPGNCAZIEL-FOCLMDBBSA-N 442.555 6.581 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)c2)cc1 1874711140 QUEKYGATDIQZJG-NTEUORMPSA-N 442.511 5.961 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)Cc1ccccc1F 1875094207 HDORDFCLXSQWTQ-ZRDIBKRKSA-N 449.434 5.177 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(Cl)c1OC(=O)c1ccccc1 1875094962 RQDZNYZWCZRJHB-SDNWHVSQSA-N 442.898 6.617 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1ccc(F)cc1 1875095304 JOZDILRUUWILIN-VIZOYTHASA-N 440.470 6.493 30 10 IKEE O=C(CCCOc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1 1875097007 QEZZOYMCTPCTKK-XMHGGMMESA-N 440.539 6.226 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)[C@H]3CCCO3)c(OC)c2)cc1 1875105948 UBZMJBFGZWGQKD-KCQSEKJDSA-N 442.939 5.672 30 10 IKEE C[C@@H](C(=O)Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1Cl)c1ccccc1 1875113468 IZICUFMXFGSDEK-SICOMBFOSA-N 425.311 6.599 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1[N+](=O)[O-])c1ccccc1F 1875113601 PDKJPAODFTUQKQ-PKNBQFBNSA-N 425.799 5.503 30 10 IKEE O=C(Cc1ccc(Cl)c(Cl)c1)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1 1875123300 ZJGJTDVBJYLYTH-UUILKARUSA-N 445.729 6.691 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OC(=O)c1cccc(Cl)c1 1875127468 GXKREGPFWWQERP-ZHACJKMWSA-N 427.283 6.117 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC(C)(C)C)c(Br)c2)c(C)c1 1875134831 NLODVHAQYMXOJW-JXMROGBWSA-N 429.354 6.304 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)ccc1OC(=O)c1ccc(CC)cc1 1875151821 DSYSZGBUGCWTJQ-MDWZMJQESA-N 448.490 5.911 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)COc1ccc(C)c(C)c1 1875158758 LKYUUCGYPSZFOW-AWNIVKPZSA-N 448.490 5.722 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cnccn3)cc2)cc1 1875159397 OWWNQLKOSWKROS-CXUHLZMHSA-N 444.531 5.941 30 10 IKEE CCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc1OC 1875160890 ODUDNGSGEVPFIM-PKNBQFBNSA-N 426.509 5.221 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2cc(C)cc(C)c2)c(Cl)c1 1875170941 XOCRERPAKGRNCF-SOFGYWHQSA-N 448.946 6.698 30 10 IKEE C=CCN(CC=C)C(=O)c1cc2c(NCCCCCCCC)ncnc2n1Cc1ccco1 1875233846 VPGLJDZXJFLMGG-UHFFFAOYSA-N 449.599 5.659 30 10 IKEE C=CCN(CC[C@H](NCCC)c1ccc(Br)cc1F)C(=O)OC(C)(C)C 1877001779 UDURZHLUZSAOAV-SFHVURJKSA-N 429.374 5.442 30 10 IKEE O=C(Nc1cc(Br)cc(C(F)(F)F)c1)c1cc(F)cc(C(F)(F)F)c1 1889902738 MLFGBVGWLAKGNV-UHFFFAOYSA-N 430.117 5.878 30 10 IKEE CC(C)n1ncc2c(C(=O)N3CCC(C#N)(c4ccccc4)CC3)cc(C(C)(C)C)nc21 1890700572 CXJDPQKSNGIYLC-UHFFFAOYSA-N 429.568 5.007 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3sc(-c4ccccc4)nc3C)ccc21 1890839716 PIYNWIJWETXJAL-UHFFFAOYSA-N 447.560 5.308 30 10 IKEE CCN(CC)c1cc(C)nc(Nc2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)n1 1891841844 XWSUOMUSQDGZQU-QGZVFWFLSA-N 428.540 5.254 30 10 IKEE C=CCN(CC[C@H](NCCC)c1ccc(Br)c(F)c1)C(=O)OC(C)(C)C 1894880702 HITUEYFEKDWPBI-SFHVURJKSA-N 429.374 5.442 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)c(F)c1 1895029835 OGVHSFJYRQQAKN-ZWKOTPCHSA-N 429.374 5.488 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc([C@H](C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)c1 1912153879 DZDLUOIPEFITJS-KRWDZBQOSA-N 430.509 5.536 30 10 IKEE C=C(C)CN(Cc1ccccc1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 1914498078 FJXBPUNDVVABEH-UHFFFAOYSA-N 449.197 5.523 30 10 IKEE CN(C[C@](C#N)(N(C(=O)OC(C)(C)C)c1ccccc1)C(C)(C)C)C(=O)OC(C)(C)C 1944385769 MHVYMTVRNOVKRG-DEOSSOPVSA-N 431.577 5.603 30 10 IKEE CCCCCCCCCC[C@@H](N)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 1947432006 FWPRDBUCQFUIFL-XMMPIXPASA-N 433.681 5.871 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@](C)(C#N)[C@]1(C)CCN1C(=O)OC(C)(C)C 1953199231 NVEJDGSLYUBSGP-BJKOFHAPSA-N 429.561 5.105 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1(C)C 2013409364 YCXNWEDLMALTPM-SBUREZEXSA-N 433.524 5.153 30 10 IKEE N#C[C@@H]1CCCC[C@@H]1Nc1cc(Br)c(Br)c(Br)c1 2034338001 BPSDFDDPZQGPLW-UFBFGSQYSA-N 436.973 5.468 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@H]3C[C@H]2C[C@H]3NC(=O)OC(C)(C)C)cc1 2046020944 YBUDTMGADNFLID-QNTHMWBDSA-N 441.572 5.322 30 10 IKEE C=CCCCCC(=O)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071344995 GQLPFLQCGSLVET-MUUNZHRXSA-N 430.544 6.194 30 10 IKEE CCCc1ccc([C@H](C2CCC2)n2nc(C(C)(C)C)c(C=NO)c2Br)cc1 2079878991 WLCDEQSYEGKACL-IBGZPJMESA-N 432.406 6.093 30 10 IKEE CCCOc1ccc([C@H](n2nc(C(F)F)c(C=NO)c2Br)C2(C)CC2)cc1 2080088318 OWJYFYGHPUUXOG-INIZCTEOSA-N 442.304 5.570 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(F)c(Br)c(F)c1 2142154390 AIAXPMNZMTWGOO-DOTOQJQBSA-N 433.337 5.237 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@@]1(CNC(=O)OC(C)(C)C)C[C@H]2CC[C@H]1C2)NC 2217253925 RUMMSOLTNBBDHH-TUGCOKMYSA-N 428.617 5.069 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)cc1Cl 2230378042 OUUCXILSKVHKMJ-ZWKOTPCHSA-N 443.813 5.450 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Br)c([C@H](N)C#Cc2cccc(Cl)c2)c1 2231090563 WNRCIPUAVLSIKC-GOSISDBHSA-N 435.749 5.501 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[C@]2(C#N)Nc2ccc(Br)cc2)C1 2233756105 XYPVPCOCBHJIAN-FQELHTAISA-N 434.378 5.180 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCCC)c2cc(Cl)cc(Cl)c2Cl)C1 2235608542 UPNJQGSWSNDEKA-QGZVFWFLSA-N 433.807 6.301 30 10 IKEE C=C1CCC(C[C@H](O)[C@H](Cc2cccc(Br)c2)NC(=O)OC(C)(C)C)CC1 2237384848 VYTAJYBKQZQNER-PMACEKPBSA-N 438.406 5.382 30 10 IKEE CC1(C)OB(c2sccc2C(=O)Nc2cc(Cl)c(Cl)cc2Cl)OC1(C)C 2282013226 GQCFQNPYVQUYQO-UHFFFAOYSA-N 432.565 5.260 30 10 IKEE CC1(C)OB(c2ccc(NC(=O)Nc3ccccc3OCc3ccccc3)cc2)OC1(C)C 2282760390 BUEFRJSZBDLTHR-UHFFFAOYSA-N 444.340 5.209 30 10 IKEE O=[N+]([O-])C(C=Nc1ccc(Br)cc1)=CNc1ccc(Br)cc1 2293142408 WHNDJOZUFLZCIU-UHFFFAOYSA-N 425.080 5.144 30 10 IKEE CN[C@H](C#Cc1cccc(Br)c1)c1ccc(NC(=O)OC(C)(C)C)c(Cl)c1 2296217193 ROUQSHNBBJGOFS-GOSISDBHSA-N 449.776 5.762 30 10 IKEE COc1ccc(C(=O)C(=Cc2ccccc2[N+](=O)[O-])c2nc3ccccc3o2)cc1OC 2296592868 QBGDXLJPTXQEDH-UHFFFAOYSA-N 430.416 5.177 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)C2(NC(=O)OC(C)(C)C)CCCC2)cc1 2302428846 OWJDFIFTQMZXMZ-LJQANCHMSA-N 429.561 5.466 30 10 IKEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)CCC(F)(F)C[C@@H]1OCc1ccccc1 2305322838 PFWYJRRQGLNHQN-DHLKQENFSA-N 429.507 5.293 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O)c1ccccc1Br 2314438141 IXDRRWJGWBHDIU-UHFFFAOYSA-N 439.236 5.424 30 10 IKEE COC(=O)c1ccc(C=C2SC(=Nc3cccnc3Cl)N(c3ccccc3)C2=O)cc1 2314540045 HMYLCIFBNQBQIA-UHFFFAOYSA-N 449.919 5.330 30 10 IKEE CSC1(C#C[C@H](N)c2cc(Br)cc(NC(=O)OC(C)(C)C)c2)CCC1 2314691240 HZKLYWLHEOQMDB-INIZCTEOSA-N 425.392 5.085 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1cn(C)c4ccccc14)C3=O)CN([C@@H]1CCCC[C@H]1C)CO2 2322391675 OYGWPVUWZAHSAU-UZUQRXQVSA-N 442.559 5.834 30 10 IKEE Cc1ccc(C(=O)C=Cc2c(OCC(=O)N[C@@H](C)c3ccccc3)ccc3ccccc23)cc1 2322586307 BKXPDLLBMIYRHH-QFIPXVFZSA-N 449.550 6.301 30 10 IKEE C=CCOc1ccc(Br)cc1C=CC(=O)c1cc(OC)c(Cl)cc1OC 2322872284 ZCEIOCRTUIWANM-UHFFFAOYSA-N 437.717 5.581 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OC(=O)c4cccc(C)c4)c3C)C2=O)cc1OC 2322880823 XLSKGSWNKZROLZ-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OCc1c(F)cccc1Cl 2323409975 QEANNYYIMFPMBG-UHFFFAOYSA-N 446.905 7.116 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1OC 2323460833 RHRGNADDMJKHLU-UHFFFAOYSA-N 449.459 5.096 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OCc2cccc(F)c2)c(Br)c1 2323701855 AVGNYCIMRZJWGH-UHFFFAOYSA-N 441.296 6.072 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3cc(OCc4ccccc4)cc(C)c3C1=O)cn2C 2324844448 IISJRXMLJQZJDK-UHFFFAOYSA-N 425.484 5.691 30 10 IKEE Cc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)CCCC4)c2)cc1C 2325701826 UNJBINDTGDRMEP-UHFFFAOYSA-N 440.539 6.063 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(N(C)C)cc3)c2)cc1C 2325713556 PTFLJNDSGFUSAP-UHFFFAOYSA-N 445.515 5.194 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)[C@H](Cc3ccccc3)c3ccccc3)c2)cc1 2325738601 YUDYUUPMIJNFPO-GDLZYMKVSA-N 446.546 6.823 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC)c(OC(=O)CC3CCCCC3)c2)cc1C 2325770067 VRXRXZQZATZFBZ-UHFFFAOYSA-N 436.548 6.093 30 10 IKEE CCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1N=Cc1cccs1 2325819297 UKSDFWOYVADYEB-UHFFFAOYSA-N 430.599 5.219 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1cccc(C)c1 2325904580 AZEVLBGBWCTOIU-UHFFFAOYSA-N 448.636 6.322 30 10 IKEE CCc1nnc(SCc2ccccc2)n1N=Cc1ccccc1OCc1ccc(C)cc1 2326216945 JEAGNHWJUZTBHM-UHFFFAOYSA-N 442.588 5.902 30 10 IKEE CCOc1cccc(C=Nn2c(CC)nnc2SCc2cccc3ccccc23)c1OC 2326637706 HGGIZJDIWGLBRM-UHFFFAOYSA-N 446.576 5.576 30 10 IKEE CCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccc(Cl)cc1Cl 2327542404 YKZBCUBDDBWNRX-UHFFFAOYSA-N 441.771 5.812 30 10 IKEE C=C(C)CSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(O)c(OC)c1 2327751557 AVMNWVFBSVFZJS-UHFFFAOYSA-N 444.560 5.287 30 10 IKEE CCCCC1CCC(c2nnc(SCCO)n2N=Cc2c(F)cccc2Cl)CC1 2328240029 OPXMLLJWTUNBRP-UHFFFAOYSA-N 439.000 5.501 30 10 IKEE CCCOc1ccccc1C=Nn1c(CCc2cccc(OC)c2)nnc1SCCC 2328653632 RBYUTRJVXQVXNJ-UHFFFAOYSA-N 438.597 5.245 30 10 IKEE Cc1cccc(C=Nn2c(CCc3ccccc3C)nnc2SCCc2ccccc2)c1 2329489360 LRNBHFNIJBXXDA-UHFFFAOYSA-N 440.616 5.897 30 10 IKEE COC(=O)c1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2-c2cccs2)cc1 2330529998 BRCGGFFEJWESIU-UHFFFAOYSA-N 448.573 5.276 30 10 IKEE Cc1ccc(CSc2nnc(-c3cccs3)n2N=Cc2ccc(C(C)(C)C)cc2)cc1 2330530379 MAZICQQZJBQROT-UHFFFAOYSA-N 446.645 6.787 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)Cc1ccccc1 2330641109 OPEDTSJXLMYRGI-UHFFFAOYSA-N 431.444 5.038 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1cncc(C)c1 2330700664 XWMXCHKRCAMFKW-UHFFFAOYSA-N 441.527 5.783 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)ccc1OC(=O)c1cccc(Cl)c1 2330795239 YYYAFJXLYYIAEI-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3F)c([N+](=O)[O-])c2)cc1 2330833779 YGSAYNNIWJKDBR-UHFFFAOYSA-N 447.462 6.192 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2)cc(Cl)c1OC(=O)C1CCC1 2330871775 KWGLUOHFABAAMS-UHFFFAOYSA-N 428.912 5.657 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CSc3ccccc3)c(Cl)c2)cc1 2330965709 WDTTYPZNPPHYAC-UHFFFAOYSA-N 438.932 5.942 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCCC3)n2N=Cc2ccc(F)cc2F)c1 2331076222 WGWWWBGPKABNLR-UHFFFAOYSA-N 426.536 6.005 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CCC)c(OC)c2)cc1OCCC 2331115385 DEFWGLXDHHUQCW-UHFFFAOYSA-N 440.536 5.874 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3ccccc3C)c(OC)c2)cc1 2331193074 LHTMWELPVRVSTL-UHFFFAOYSA-N 446.499 5.526 30 10 IKEE COCCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(C(C)C)cc1 2331286819 MWSUXAAARRFBIN-UHFFFAOYSA-N 428.989 5.418 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(OC)cc3)c(OC)c2)cc1 2331311437 GTRWPFNQOWXRAE-UHFFFAOYSA-N 446.499 5.608 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)c1ccc(C)c([N+](=O)[O-])c1 2331331216 WVCJPUCPBPPIAI-UHFFFAOYSA-N 445.471 5.644 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1c(F)cccc1Cl 2331385439 DIYBIGJWJVYXPV-UHFFFAOYSA-N 447.923 5.451 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)COc1ccc(Cl)cc1 2331540060 ALEIHHNYMKZDBB-UHFFFAOYSA-N 440.854 5.368 30 10 IKEE CCOc1cc(C=Nn2c(SCc3ccccc3Cl)nnc2C(C)C)ccc1O 2331703358 YJAOVLPGIXQWQP-UHFFFAOYSA-N 430.961 5.334 30 10 IKEE CC(C)(C)c1cccc(-n2nnc(C#N)c2NC(=O)C(=Cc2ccccc2)c2ccccc2)c1 2332188295 CZUCMDPJCJUMNU-UHFFFAOYSA-N 447.542 5.616 30 10 IKEE C=CC[C@H](Oc1ncc(Br)c2ccsc12)[C@@H]1CCN1C(=O)OC(C)(C)C 2335889847 ZJDVKZYNJVTBBC-GJZGRUSLSA-N 439.375 5.392 30 10 IKEE CCCN[C@@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)[C@@H]1CC12CCC2 2345012754 NBARDFIXOJOKAE-PXJZQJOASA-N 444.667 5.073 30 10 IKEE CC[C@H](N[C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363843861 LLSHGDXBRQWBQK-ISJGIBHGSA-N 449.444 5.410 30 10 IKEE Cc1cc(CNCc2cccc(OCc3ccccc3)c2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369677574 PLIBIRFCUFYLSX-UHFFFAOYSA-N 443.396 5.163 30 10 IKEE C/C(=N/OC(=O)Nc1ccc(C)c(NC(=O)O/N=C(\C)c2ccccc2)c1)c1ccccc1 8403130 MGQARQKZPBWNEO-SVJPUMPYSA-N 444.491 5.940 30 10 IKEE CCOc1ccc(-c2nc3n(n2)[C@@H](c2ccc(OC)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 9731816 ONSIDAQBKWUIQJ-QHCPKHFHSA-N 444.535 5.011 30 10 IKEE CCOc1cc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)ccc1OC(C)C 20881774 XCVQUDZOKCBDNE-RTWAWAEBSA-N 433.548 5.185 30 10 IKEE CCc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(OC)c2OC(C)C)cc1 21235909 FUBYPZMTKFZBPO-PZJWPPBQSA-N 433.548 5.049 30 10 IKEE CN(C)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc1 21239489 CAXKNLYITGJPFL-XRHLQHRESA-N 443.978 6.386 30 10 IKEE CCOc1cc(/C=N\Nc2ncnc3sc4c(c23)C[C@@H](C(C)(C)CC)CC4)ccc1O 27527954 AHQKVZCGGJHCHU-LNLSZRECSA-N 438.597 5.783 30 10 IKEE COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccccc2F)cc1OC 33324899 BRUBXGKOVGUKFP-NPMXOYFQSA-N 434.467 5.098 30 10 IKEE Cc1ccc(-c2cc(/C=C\c3ccc4c(c3)OCO4)c(C#N)c3nc4ccccc4n23)cc1 33480247 JZBIZRLRAUIMER-WQLSENKSSA-N 429.479 6.234 30 10 IKEE Cc1cc2c(n1-c1ccccc1)CC(C)(C)C/C2=N\OC(=O)c1ccc(Cl)cc1Cl 39853070 CZLBFHNNMIOMFE-SZXQPVLSSA-N 441.358 6.626 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OCc4ccc(C)cc4)c3C)C2=O)c(OC)c1OC 41433289 BTLXAPSCXVVQJB-UCQKPKSFSA-N 446.499 5.524 30 10 IKEE CCCCCCN(CCCCCC)CN1C(=O)/C(=N/c2ccc(F)cc2)c2ccccc21 59377588 SRUPWTCQNQYAGQ-PBBVDAKRSA-N 437.603 6.713 30 10 IKEE C/C(=N/Nc1cc(C(F)(F)F)ccc1Cl)c1ccc2c(c1)Nc1ccccc1S2 89263023 VKCNGOXURGZGFD-PPDIBHTLSA-N 433.886 7.403 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CCC3)cc1 100153110 UWWCJKXWKSLJLA-UHFFFAOYSA-N 429.582 6.015 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 100154325 QJNFVTYOROXVGE-UHFFFAOYSA-N 449.960 5.724 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C)c(C)c2)cc1 169924229 GYNQUADUTDCHKL-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 169925407 JKXUVAAMJMZXOI-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2cccs2)c1 169984706 HJMOKTSLHQYHLH-HXUWFJFHSA-N 439.920 5.501 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@H]2c2ccccn2)c(C)c1 169996723 IBJKKRRGNKDUGM-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccccn1 169996834 HVSLMUVLPZDXGK-JOCHJYFZSA-N 444.874 5.573 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2C2CCCCC2)cc1 170031816 ORUMXNHXQKAVKC-XMMPIXPASA-N 449.547 5.313 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2C)[C@@H]1c1ccccc1 170051790 SRIJIPPJWZCTKE-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(C(C)(C)C)cc1 170149804 UJXHIBICCAJHSI-VWLOTQADSA-N 445.603 6.241 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1ccccc1OC(C)C 170151356 AEZQMTJSZAJUDB-XMMPIXPASA-N 449.591 6.068 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccs2)cc1C 170154424 SHGTXVJSXBFNGZ-FQEVSTJZSA-N 439.558 5.295 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(OCC)cc2)cc1 170214747 WWIZHXULVGEDOZ-XMMPIXPASA-N 449.547 5.395 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccccc2)c1 170223664 OJGRLWLQSHXMBU-XMMPIXPASA-N 427.500 5.485 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2ccccc2)c1 170225619 XWOAEAGPBBIAQO-VWLOTQADSA-N 439.511 5.411 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2O)[C@H]1c1ccccc1 170227629 OWLUKNYUWVJMRN-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(C(C)C)cc1 170246255 GUAUWFCLNIPDEX-XMMPIXPASA-N 433.548 5.648 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2F)c1 170249053 OYFWFGJMWRJSPL-QHCPKHFHSA-N 431.463 5.396 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1c[nH]c2ccccc12 170256170 LFFBSIMOAZOEPY-VWLOTQADSA-N 438.527 6.090 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1cn(C)c2ccccc12 170269698 ABMQFLXDHUHSLS-QFIPXVFZSA-N 448.906 5.566 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1C1CCCCC1 170275461 ZPSPLENNVKHHSC-DEOSSOPVSA-N 433.548 5.693 30 10 IKEE CCN(CC)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(O)cc2)cc1 170339059 MGNJDVGJYICMEA-DEOSSOPVSA-N 442.515 5.021 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cccc(C)c2)cc1 170341843 WLNLXIRVRAPEAH-HSZRJFAPSA-N 446.572 5.686 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(O)c1)c1cccs1 170385883 RMHJTRGKEBBZSP-GOSISDBHSA-N 446.311 5.543 30 10 IKEE CC(=NOCC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N)c1ccccc1 252589420 AKOOWZMDMWNBHZ-UHFFFAOYSA-N 435.483 5.865 30 10 IKEE CCN1C(=O)/C(=C2/Sc3ccccc3N2C)SC1=Nc1cc(C(C)C)c(O)cc1C 254305585 JRCSBPUQZUADDP-JSYGVCDLSA-N 439.606 5.818 30 10 IKEE C=C1CC[C@@H]2C(C)(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)C(=O)CC[C@]12C 257381337 AVJMTAKTBATOTJ-ILPJMZRNSA-N 438.696 7.722 30 10 IKEE endogenous,in-man CCCOc1ccc([C@H]2C(c3ccc(OC)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526485715 HKLRVZOVWNDVJU-VWLOTQADSA-N 440.499 5.413 30 10 IKEE CC(C)COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccccn2)cc1 526487614 CXEYPBWGSNLICF-DEOSSOPVSA-N 425.488 5.045 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3cccc4ccccc34)[C@@H]2c2c[nH]c3ccccc23)cc1 526492009 QZPTXFDFDATGFA-MHZLTWQESA-N 441.490 6.250 30 10 IKEE CCCCOc1cccc(/C=N\n2c(CCCC)nnc2SCc2ccc(F)cc2)c1 526803113 RQRBXYPNHUNDQX-ONUIUJJFSA-N 440.588 6.113 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1c(Cl)cccc1Cl 526826292 YNNDMEVRXNFJAV-MSXFZWOLSA-N 437.371 6.241 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)COCc2ccccc21 698483808 YAPSYQCITYFMLG-OAQYLSRUSA-N 429.314 5.140 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 698484086 MZRFCPUQZGVOLU-LOJFUVEFSA-N 441.572 5.274 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OCc3ccccc3)C2)cc1 698889296 PFWNCSFZGJKOAU-VWLOTQADSA-N 435.524 5.041 30 10 IKEE C#CCOc1ccc(Cl)cc1C=Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2 1083895137 YOLOAMHLRUVTJW-UHFFFAOYSA-N 448.975 6.295 30 10 IKEE Oc1cc(Cl)ccc1N=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1 1084120418 UMDNDFQXEHVVJO-UHFFFAOYSA-N 443.149 6.956 30 10 IKEE C=CCN1C(=O)/C(=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21 1084460761 QCIZTZVYLKBASN-MSUUIHNZSA-N 447.368 5.302 30 10 IKEE Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N/N=C/c1c(Cl)ccc(Cl)c1Cl 1614348675 ZGILLXNLVCGACB-SOWFKZHZSA-N 439.545 6.668 30 10 IKEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](CC(C)C)C1 1722590339 DCFUHURFNYIUEU-GOSISDBHSA-N 434.588 5.069 30 10 IKEE COc1cccc(NC(=S)N/N=C\c2cn(-c3cccc(F)c3)nc2-c2ccccc2)c1 1857808399 FERXNPIZZAXAAP-YSMPRRRNSA-N 445.523 5.008 30 10 IKEE N#Cc1ccccc1NC(=O)c1cc(-c2ccccc2)n(Cc2c(F)cccc2Cl)n1 1859379768 CNYVAAZLGBDAHZ-UHFFFAOYSA-N 430.870 5.515 30 10 IKEE CC1(C)C(=O)Nc2ccc(C(=O)Nc3oc(-c4ccccc4)c(-c4ccccc4)c3C#N)cc21 1859743958 MZOWLORBSMDPOQ-UHFFFAOYSA-N 447.494 5.967 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)CCCSc2ccccc2)nc2c(C)cccc12 1859762859 GCSFDVNISAJPGC-UHFFFAOYSA-N 441.560 5.420 30 10 IKEE CCOc1ccc(/C=C/C(=O)Nc2ccc(Cl)c(NC(=O)c3cccc(C#N)c3)c2)cc1 1860459067 VVYDBMDKPVNRLH-MDWZMJQESA-N 445.906 5.515 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(O)cc1)c1ccc(Cl)cc1Cl 1862383609 WJSPADAAYDZRBV-LJQANCHMSA-N 444.270 5.071 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@@H]1c1ccccc1 1862387130 DNLXYJKSNBTEQF-AHWVRZQESA-N 447.619 6.966 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc(OC)cc2)cc1 1862392390 WOFZTEVHSYRLGE-DEOSSOPVSA-N 435.564 5.662 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2cc(Cl)cc(Cl)c2)c1 1862499066 XKUZYOJGEQYHQK-FQEVSTJZSA-N 432.347 5.845 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(Cl)cc2Cl)ccc1F 1862509033 VSORSFNWELDJAR-HXUWFJFHSA-N 448.321 5.962 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(Br)cc1 1862513197 ZFNKRGGVRMMMLW-YJYMSZOUSA-N 446.316 5.273 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(CC)cc1 1862530808 YJIQNTWZLLTCHI-AHWVRZQESA-N 447.619 6.749 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2ccc(C)cc2)cc1 1862534075 PVQRZIBODNQSCV-VWLOTQADSA-N 425.528 5.644 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(C(C)C)cc1 1862614545 DKUUUYCXPUNVIP-VWLOTQADSA-N 447.619 6.732 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccccc1Cl 1862617486 HMFKPXHXRVGOGP-JOCHJYFZSA-N 439.983 6.406 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(C(=O)O)cc1 1862664681 OJESNLSHPZCDRF-QHCPKHFHSA-N 449.547 5.667 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 1862666164 XFJLBJVZLXAFLC-JOCHJYFZSA-N 436.508 5.487 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(OCCC)cc1 1862681897 IILPPLQVCJHTFJ-QFIPXVFZSA-N 425.500 5.383 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2ccccc2C)c1 1862699799 YXKBZZVLORWTAA-VWLOTQADSA-N 441.527 5.399 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 1862736995 QXESCMWYFNHMLC-QFIPXVFZSA-N 434.492 5.286 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(Cl)cc3)C2=O)cc1Cl 1862795970 ZWFRNTZYGQDXNH-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE CCCCc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3cccs3)C2=O)cc1 1863103535 NNIASUGBIXVUHE-UHFFFAOYSA-N 427.529 5.359 30 10 IKEE N#Cc1ccc(NC2=C(c3cccc4ccccc34)C(=O)N(CCC3=CCCCC3)C2=O)cc1 1863225185 ZDASKWDVRIZAFE-UHFFFAOYSA-N 447.538 5.794 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(OCCCCCC)cc2)=C(c2ccc(C)c(C)c2)C1=O 1863250879 QFOLUOVJKNEXMJ-UHFFFAOYSA-N 432.564 5.641 30 10 IKEE CCCCCCCCCCNC1=C(c2cccc3ccccc23)C(=O)N(CC(C)C)C1=O 1863580345 MDUXMDBYMNTDFU-UHFFFAOYSA-N 434.624 6.306 30 10 IKEE C=CCN1C(=O)C(N[C@@H](CC)CCCCC)=C(c2ccc(OCc3ccccc3)cc2)C1=O 1863706947 SPVVJAGLRWOSAB-QHCPKHFHSA-N 446.591 5.480 30 10 IKEE C=CCOC(=O)c1sc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)nc1C 1865963153 JBCJFNPRJMMSCS-UHFFFAOYSA-N 441.123 5.055 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N[C@@H]1CCCOc2ccccc21 1866030053 WLHGQATUMPQWJA-AREMUKBSSA-N 429.689 8.278 30 10 IKEE CCCC[C@@H](NC(=O)[C@H](c1ccc(OC)cc1)C1CCCC1)C(=O)Nc1ccc(C#N)cc1 1867011736 OWHJWPVIGOUVOQ-RPBOFIJWSA-N 447.579 5.154 30 10 IKEE Cc1nc(C2CCN(c3cc(Nc4cccc(C#N)c4)nc(C(C)(C)C)n3)CC2)sc1C 1868333249 CJWGOFVOYMRXEF-UHFFFAOYSA-N 446.624 5.847 30 10 IKEE CCCCCCCCn1cc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(=O)cc1C 1870086552 WKXCRMUMZFKAGJ-UHFFFAOYSA-N 439.383 5.842 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCCCC)c(=O)cc1CN1CCC[C@H](C)C1 1870764338 FPKKDGAWCCURDA-QFIPXVFZSA-N 448.648 5.163 30 10 IKEE CCCCCCCCCCn1cc(OCC(C)C)c(=O)cc1CNc1ccc(F)cc1 1870858371 GMDCMJMPONPGCZ-UHFFFAOYSA-N 430.608 6.775 30 10 IKEE C=CCn1cc(OCCc2ccccc2)c(=O)cc1CNc1ccc(Br)cc1 1871141252 JJIOLCOGLYMBEX-UHFFFAOYSA-N 439.353 5.030 30 10 IKEE CC(C)(C)c1ccc(/C=C2\Oc3cc(OC(=O)c4cccc5ccccc45)ccc3C2=O)cc1 1871377724 AWMUNDKVHSNQIV-PKAZHMFMSA-N 448.518 6.973 30 10 IKEE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)cc1 1871388336 QFHWLZWSBRORBN-MSXFZWOLSA-N 444.439 5.038 30 10 IKEE CCCCN(CCCC)Cc1c(O)cc(C)c2c1O/C(=C\c1ccc3c(c1)OCO3)C2=O 1871393277 ABKORGHLNJXESS-UCQKPKSFSA-N 437.536 5.448 30 10 IKEE Cc1cc(O[C@H](C)C(=O)OC(C)C)cc2c1C(=O)/C(=C/c1ccc(Cl)c(Cl)c1)O2 1871400589 FTCOAXOMOOJGMK-JFPGXGMNSA-N 435.303 5.637 30 10 IKEE CC(C)(C)c1ccc(OCCOc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871415285 ZGWFPWSVKRJPLK-XYGWBWBKSA-N 448.946 6.712 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O 1871424777 WKXLGVCNYPIHBO-QRVIBDJDSA-N 447.918 5.845 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O)Nc1c(Cl)cccc1Cl 1871431162 GQFYFGWFRXMKHS-JAIQZWGSSA-N 440.282 5.627 30 10 IKEE COc1ccc(C)cc1NC(=O)CCOc1ccc2c(c1)O/C(=C\c1cccc(C)c1)C2=O 1871446078 BZEZDBOPAQYUPV-MYYYXRDXSA-N 443.499 5.336 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(N(C)C)cc2)[nH]c(N2CCCC2)n1 1871694287 DFLKZVNWTGTKJO-UHFFFAOYSA-N 439.652 5.256 30 10 IKEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1cc(C)ccc1C 1871802649 DENYFNCNRLVPRB-OAQYLSRUSA-N 449.016 5.249 30 10 IKEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1cc(C)ccc1C 1871887797 DYNCPHPQXREQBW-QHCPKHFHSA-N 442.625 5.150 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cc(Cl)ccc1C)[C@@H](C)CC)S(=O)(=O)CCCC 1872472022 KXFSTPLVLUMVOE-JXFKEZNVSA-N 429.026 5.010 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@H](C)CC 1872613325 OLLXCILEBIHQIU-NQIIRXRSSA-N 445.069 5.290 30 10 IKEE COC(=O)c1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 1872760444 ONLPRQJMEKCINO-SYZXBLONSA-N 442.540 5.365 30 10 IKEE N#C[C@@H](C(=O)COc1cc(Cl)ccc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872762942 ALNHWOIKFLCWRA-AWEZNQCLSA-N 448.287 5.280 30 10 IKEE C[C@@H](Oc1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872763044 COHXCXKFLGIXFM-SJKOYZFVSA-N 427.869 5.015 30 10 IKEE N#C[C@H](C(=O)CCCOc1ccc(Cl)cc1)c1nc(-c2ccccc2Cl)cs1 1872764548 POVVFNXVQZRNGQ-QGZVFWFLSA-N 431.344 6.152 30 10 IKEE CC(C)(C)c1ccc(-c2csc([C@H](C#N)C(=O)Cc3cc(Cl)ccc3Cl)n2)cc1 1872772811 HUJWOGZOVHYRDO-GOSISDBHSA-N 443.399 6.833 30 10 IKEE COc1c(Cl)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)c2ccc(Cl)s2)n1 1872778743 SJPKFEXSKCBTQT-JTQLQIEISA-N 443.764 6.330 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)Cc3cc(C)ccc3C)n2)cc1C(C)C 1872779232 FGCPIDYDRRUELX-QFIPXVFZSA-N 432.589 6.286 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)Cc3ccc(C)c(C)c3)n2)cc1C(C)C 1872779261 FSCCWOMGCBHGOB-JOCHJYFZSA-N 432.589 6.286 30 10 IKEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2[nH]1 1872805821 JZNIDCOBINHONF-UHFFFAOYSA-N 427.504 5.576 30 10 IKEE C=CCOc1ccc(-c2nonc2NC(=O)CCCOc2ccc3ccccc3c2)cc1 1873439322 VYFYUCJBZCFRSQ-UHFFFAOYSA-N 429.476 5.252 30 10 IKEE CCCCCCCCNC(=O)CC/C(C)=C/Cc1c(OC)c(C)c2c(c1OC)C(=O)OC2 1873886095 GYQQCKYECKGWHY-LDADJPATSA-N 445.600 5.428 30 10 IKEE CCSc1nnc(COc2ccccc2OC)n1/N=C/c1c(OC)ccc2ccccc12 1874288747 PMMHJXWOQSAPPB-MFKUBSTISA-N 448.548 5.022 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(Cl)cc3)n2/N=C/c2cccs2)cc1 1874339091 IHVBAYKEAPAIGG-ZVHZXABRSA-N 439.009 6.067 30 10 IKEE CCCOc1c(/C=N/n2c(Cc3ccc(C)c(C)c3)nnc2SCC)cccc1OC 1874357836 BMTYOFQKYUZPMN-PCLIKHOPSA-N 438.597 5.277 30 10 IKEE O=[N+]([O-])c1ccc(/C=N/n2c(CCc3cccs3)nnc2SCc2ccccc2)cc1 1874371890 WYUPMYDLCSYDOI-HZHRSRAPSA-N 449.561 5.208 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCCc3ccccc3)nnc2[C@@H](C)c2ccccc2)c1 1874400704 XRCWSFXVCSTBJG-FGAYPWGZSA-N 442.588 5.661 30 10 IKEE CCCSc1nnc(CCc2ccccc2)n1/N=C/c1c(OC)ccc2ccccc12 1874404687 LASDQOZUIDINJA-NLRVBDNBSA-N 430.577 5.609 30 10 IKEE Oc1cccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C2CCCC2)c1 1874459154 ZFKGMDMAHSAMGU-WYMPLXKRSA-N 430.936 5.608 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2-c2ccco2)cc1 1874469278 WSIULJYGWPUQKZ-BHGWPJFGSA-N 447.322 6.159 30 10 IKEE COCc1nnc(SCc2ccccc2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874501503 LAPJFSYUPZSRJL-WGOQTCKBSA-N 444.560 5.178 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1c(OC)ccc2ccccc12 1874504466 SRLHPFMHLQWMJV-CVKSISIWSA-N 434.540 5.706 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cccc(OC)c1OCc1ccc(Cl)cc1Cl 1874577075 VHUFRWQNLMHUJN-ACCUITESSA-N 443.326 6.486 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3cc(C)ccc3C)c(OC)c2)cc1C 1874606824 IPTMAWVZGUGTKM-PKNBQFBNSA-N 446.543 6.113 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OCC(=O)Nc1ccccc1C 1874619158 MJPHTZXVYWPLPM-ZRDIBKRKSA-N 445.515 5.234 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OCc1ccccc1Cl 1874630517 GJMGLQPCUQITHT-PKNBQFBNSA-N 436.935 6.449 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCc3ccc(OC)cc3)c2)cc1 1874695989 CLPUILNPSXHTLP-CPNJWEJPSA-N 442.555 6.472 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1cccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c1 1874698435 WKOVWDVRBYXKEB-LFIBNONCSA-N 437.451 5.792 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2cccc(Cl)c2)c1)c1ccc(Cl)c(Cl)c1 1874702687 FCNSNSOSKURONM-JXMROGBWSA-N 431.702 6.762 30 10 IKEE Cc1cc(C(=O)Oc2cccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)c2)ccc1[N+](=O)[O-] 1874710594 FRTDUHMEFXLCPH-FMIVXFBMSA-N 443.499 6.252 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)cc2)cc1 1875096858 ISROUAGFDXIZAB-WOJGMQOQSA-N 440.539 6.008 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)CC3CCCCC3)c(OC)c2)cc1 1875110613 SWGZCGRRWNDHFC-MDWZMJQESA-N 442.939 6.129 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C2CCCC2)c(Br)c1)c1ccc(F)cc1F 1875121003 VHDPUOHBKMMZSS-WEVVVXLNSA-N 435.264 5.719 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)c1cccs1 1875126354 CWAABRKUWAKGRX-BJMVGYQFSA-N 447.339 6.569 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(C)c3)cc2[N+](=O)[O-])cc1 1875141357 ADVYUTSWMROLDX-UUILKARUSA-N 449.434 5.556 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc3ccccc23)cc([N+](=O)[O-])c1OC(=O)CC(C)C 1875155027 JILSGODZQKFMSA-OUKQBFOZSA-N 447.487 5.994 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)CCc1ccc(CC)cc1 1875158898 SENAUZAICPGWER-CXUHLZMHSA-N 446.518 6.221 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1OC(=O)c1ccccc1 1875159937 RQJFTEWFDXEVAM-MDWZMJQESA-N 435.407 5.248 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)cc3)c([N+](=O)[O-])c2)c(C)c1C 1875167219 UYVIYQSKNKVIOP-KPKJPENVSA-N 445.471 5.644 30 10 IKEE CC#CCCC[C@@H](NC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1879648081 STODCKGROXMRBD-UHSQPCAPSA-N 443.587 5.660 30 10 IKEE Cc1c(N=[N+]=[N-])cc(N(C)C(=O)OCC2c3ccccc3-c3ccccc32)cc1C(=O)O 1887520860 IMTBZATXRUZLPW-UHFFFAOYSA-N 428.448 6.020 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCCC)c2ccc(F)cc2Br)C1 1898131440 HKMLXZPTKOPMSZ-KRWDZBQOSA-N 427.358 5.242 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@H](CNC(=O)OC(C)(C)C)C1CCCC1)NCC 1922078926 AXNKUPUGRSLMDP-RPWUZVMVSA-N 430.633 5.459 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](O)c1cc(C)cc(Br)c1F 1927661559 LYBSPTANKCNIOQ-VXKWHMMOSA-N 436.365 5.071 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1944559450 RFONAEDGTNYOAV-HXOBKFHXSA-N 449.617 5.462 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 2005387574 ULPGGRIRIXLAJC-XMMPIXPASA-N 435.609 5.630 30 10 IKEE CCOc1cc(C(=O)C(=Cc2c[nH]c3ccccc23)c2nc3ccccc3[nH]2)ccc1OC 2042447340 LSBNUOLVUHDMGP-UHFFFAOYSA-N 437.499 5.875 30 10 IKEE CCN(CC)c1ccc(C=C2CN(C)CC(=Cc3ccc(N(CC)CC)cc3)C2=O)cc1 2042453329 CSZGWTIIEDCAOM-UHFFFAOYSA-N 431.624 5.361 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)CC2CCN(C(=O)OC(C)(C)C)CC2)cc1 2045574706 KJIRLEYCFWQXOJ-NRFANRHFSA-N 443.588 5.666 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)CCC12CCC2 2057367902 VWJYWNRZIPWYGI-JOCHJYFZSA-N 448.568 5.140 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](N)c2c(Br)ccc(Cl)c2F)C1 2063051897 KXWGSYJSQFQRNG-HNNXBMFYSA-N 433.749 5.103 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@]2(CC[C@@]2(C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)C1 2066138314 JMWLWRYAEGUPIK-DQEYMECFSA-N 447.620 5.630 30 10 IKEE Fc1c(Cn2nc(C3CC3)c(Br)c2C(F)(F)F)cccc1C(F)(F)F 2079021824 AJUWMYMCUGZQLR-UHFFFAOYSA-N 431.149 5.748 30 10 IKEE CC(C)[C@@H](c1ccc(C2CCC2)cc1)n1nc(C2CC2)c(C#N)c1I 2079946664 ZFWMLHANTOJOQR-FQEVSTJZSA-N 445.348 5.750 30 10 IKEE Cc1ccc(F)c(Cn2nc(C3CCCC3)c(C#N)c2Br)c1Br 2080300109 GSRPYUNYKPRQSV-UHFFFAOYSA-N 441.142 5.433 30 10 IKEE CCCCCC#CC[C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2083429788 DJXKZFXEQRRMIH-ZKMPZPQNSA-N 444.660 5.827 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CC[C@H]2[C@H](C1)C2(F)F 2090783810 BMUCGFSJSILUTP-RLFYNMQTSA-N 427.289 5.518 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Cl)cc(Br)c1 2136655721 BKTUYFCJSLIBIU-MSOLQXFVSA-N 443.813 5.450 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cccc(Br)c1C 2138864494 LARMGLLBJVGJQU-MOPGFXCFSA-N 425.411 5.658 30 10 IKEE CCCCCC#CC[C@@H](NC)c1ccc(Br)cc1I 2142288686 MBANYNOPRUVLFZ-MRXNPFEDSA-N 434.159 5.288 30 10 IKEE CC(C)(C)OC(=O)N1Cc2sc(Nc3cc(Br)ccc3C#N)nc2C1(C)C 2162322531 BFISJSOFGPUSAB-UHFFFAOYSA-N 449.374 5.507 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CCC2)C[C@@H]1CNc1cc(Br)cc(F)c1C#N 2163689445 GEHLDPGXJYADKY-CQSZACIVSA-N 438.341 5.051 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1ncoc1C(F)(F)F 2167868705 IKNJDUGVRWTWRJ-GFCCVEGCSA-N 446.223 5.462 30 10 IKEE CC(C)N(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1C#N 2174813482 WWNYTGRBGADRCU-INIZCTEOSA-N 436.394 5.183 30 10 IKEE Cc1ccc(NC(=O)OC(C)(C)C)c(C(=O)Nc2ccc(Br)cc2C#N)c1 2181138384 AKBSPNSXMDTFKO-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE C[C@@H](Nc1ccc(C#N)c(Br)c1)c1ccc(CNC(=O)OC(C)(C)C)cc1 2187544268 QXUCOPMACGKANW-CQSZACIVSA-N 430.346 5.519 30 10 IKEE N#Cc1ccc(Nc2ccc(Br)cc2I)cc1Cl 2223655064 VYPOTGVXLYWRSS-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)CC(C)(C)C 2247916443 XOIBOPZQVJQAFH-UHFFFAOYSA-N 427.419 5.044 30 10 IKEE C=C(COCc1ccccc1)[C@]1(OCCCN)CN(Cc2ccccc2)C2(CCCC2)C1 2263016309 MGZKWGDEODBIRT-MUUNZHRXSA-N 434.624 5.082 30 10 IKEE C=C(CC)C[C@@H](OCCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2277087325 IBOGNJRXSMUECH-MUUNZHRXSA-N 445.603 6.607 30 10 IKEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@H](CC=C(C)C)NC(=O)OC(C)(C)C 2296273525 PKJAAKGKDDMVSW-VQTJNVASSA-N 435.406 5.028 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)C(C)(C)C(C)(C)NC(=O)OC(C)(C)C 2296277438 SDYCBLBKMRHBAA-GOSISDBHSA-N 437.422 5.108 30 10 IKEE Cc1nc(N2C(=O)C(=O)C(=C(O)c3ccccc3)[C@@H]2c2ccc(C(C)(C)C)cc2)sc1C 2297057284 XFPDXDFVYXJGAY-NRFANRHFSA-N 446.572 5.684 30 10 IKEE CC=CC=CC(=O)Nc1cccc(C=CC(=O)c2cccc(NC(=O)C=CC=CC)c2)c1 2297322671 QPTGFYCJPWPMKS-UHFFFAOYSA-N 426.516 5.724 30 10 IKEE CC(=C1SC(=Nc2cccc(C)n2)N(C2CCCCC2)C1=O)c1ccc([N+](=O)[O-])cc1 2314540400 PFJDZLNILRBEKB-UHFFFAOYSA-N 436.537 5.625 30 10 IKEE CN1C(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=Nc1ccncc1Cl 2314542921 QKBDMUXLUJLKHB-UHFFFAOYSA-N 440.868 5.137 30 10 IKEE CN1C(=O)C(=Cc2ccc(-c3ccccc3Cl)o2)SC1=Nc1ccncc1Cl 2314543130 WGKVWCKTLAJBCE-UHFFFAOYSA-N 430.316 5.882 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1C 2321344026 IILCMVJIDFBMKW-RRQZXNHTSA-N 443.588 5.664 30 10 IKEE CC(C)c1nnc(SCc2ccccc2F)n1N=Cc1c[nH]c2cc(Cl)ccc12 2321847368 AUILSRUUEGTGOO-UHFFFAOYSA-N 427.936 5.850 30 10 IKEE O=C1C(=Cc2cccc(Br)c2)Oc2cc(OCc3cccc(F)c3)ccc21 2321885750 BCJKWBBVISDFAJ-UHFFFAOYSA-N 425.253 5.783 30 10 IKEE Fc1ccc(COc2ccc3ccccc3c2C=Nn2c(S)nnc2C(F)(F)F)cc1 2321915053 OTKMLNVRJDTWDD-UHFFFAOYSA-N 446.429 5.339 30 10 IKEE COc1ccc([C@H](C)N2COc3cc(C)c4c(c3C2)OC(=Cc2ccc(C)o2)C4=O)cc1 2322248810 MRZUNUDYRMUPCM-KRWDZBQOSA-N 431.488 5.434 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Br)ccc2OCc2ccc(C)cc2)c1 2322371599 ZSLMXNJLBKNAPR-UHFFFAOYSA-N 437.333 6.241 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2cccc(Cl)c2)c1OCc1cccc(C)c1 2322525019 FXDIEMVECZUDRT-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE CCCOc1c(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc(Cl)cc1OC 2322969449 PBPNJWUWNLCUFH-UHFFFAOYSA-N 429.727 6.349 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OCc1cccc(Cl)c1 2323433459 MMMBNKDLPCXCSB-UHFFFAOYSA-N 446.974 7.093 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O)c1cc(Cl)ccc1Cl 2323581216 HAADIPYPOIIXKF-UHFFFAOYSA-N 437.278 6.385 30 10 IKEE CCCNC(=O)COc1c(Cl)cc(C=CC(=O)c2ccccc2Cl)cc1OCC 2323607603 TYSYWBWUXSKCTQ-UHFFFAOYSA-N 436.335 5.193 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2C)C3=O)cc1 2323628130 SFWAFLSKZKSWPM-UHFFFAOYSA-N 428.440 5.064 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)C(C)(C)Oc4ccc(Cl)cc4)ccc3C2=O)cc1 2323702549 SYYANSBQKBMCRF-UHFFFAOYSA-N 448.902 6.028 30 10 IKEE Cc1c(OC(=O)CCc2ccccc2)ccc2c1OC(=Cc1ccc(N(C)C)cc1)C2=O 2323723685 AOMIAOHXYJMFAQ-UHFFFAOYSA-N 427.500 5.215 30 10 IKEE COC(=O)c1sc(NN=Cc2cccc(OCc3ccccc3)c2)nc1-c1ccccc1 2323844461 QDTAUSINFKZCCN-UHFFFAOYSA-N 443.528 5.622 30 10 IKEE CCOc1ccccc1C=C1Oc2c(CN3CCCc4ccccc43)c(O)cc(C)c2C1=O 2324025472 AMWREJPNMIMJJS-UHFFFAOYSA-N 441.527 5.668 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1F 2324115766 DDCDWTJBEIZSAX-UHFFFAOYSA-N 425.387 5.357 30 10 IKEE CCCCN(CC)Cc1c(O)ccc2c1OC(=Cc1ccc(Br)cc1)C2=O 2324120697 VOSGYCABAMVUDD-UHFFFAOYSA-N 430.342 5.393 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c1C 2324332849 WWFAZVJZZGAEFE-UHFFFAOYSA-N 439.382 7.702 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OCc1ccc(C)cc1 2324380902 HYPTXSQIBBUKCV-UHFFFAOYSA-N 430.544 6.494 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(C(C)(C)C)cc3)n2)cc1F 2324627970 IKJLETLLSROBDV-LJQANCHMSA-N 434.536 6.145 30 10 IKEE Cc1c(O[C@@H](C)C(=O)Nc2ccc(C#N)cc2)ccc2c1OC(=Cc1cccc(F)c1)C2=O 2325302163 CAUHHPJTPFTUKX-INIZCTEOSA-N 442.446 5.028 30 10 IKEE CC(=O)c1cccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2C)C3=O)c1 2325384954 FWYSQOIPJTZDBU-UHFFFAOYSA-N 441.483 5.140 30 10 IKEE CCCOc1ccc(C=Nn2cnnc2SCc2c(F)cccc2Cl)cc1OCC 2325669343 VSFPIQBMWDNHQO-UHFFFAOYSA-N 448.951 5.433 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(C(F)(F)F)cc2)c1)c1cccc([N+](=O)[O-])c1 2325690175 OKRTVZOQQXGLJR-UHFFFAOYSA-N 441.361 5.729 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)COc1ccc2c(c1)OC(=Cc1cccs1)C2=O 2325723306 WTQRKGSCBWCKND-UHFFFAOYSA-N 425.893 5.344 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1cccc(C=CC(=O)c2ccc(Cl)cc2)c1 2325730383 SIGIQOZRRTUSBG-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cccc(Oc4ccccc4)c3)c2)c(C)c1 2325736251 FPBLNXXQGLYGJP-UHFFFAOYSA-N 448.518 7.211 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OCC(=O)Nc4cc(C)ccc4C)c3C)C2=O)c1 2325740934 JEEZIGZHKFBAFG-UHFFFAOYSA-N 427.500 5.554 30 10 IKEE CCCCC(=O)Oc1cc(C=CC(=O)c2ccc(F)c(C)c2)c(Br)cc1OC 2325741715 JAQILDOOIMYHQZ-UHFFFAOYSA-N 449.316 5.897 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3cc(C)c(Cl)c(C)c3)c2)cc1C 2325760423 LOKWLZHKOFOBJB-UHFFFAOYSA-N 448.946 6.454 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)c2cccc([N+](=O)[O-])c2)c1 2325783140 AOABJMPSQRCIGE-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE CCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc(C(C)(C)C)cc1 2326589481 JAHGZBLCVVKQDP-UHFFFAOYSA-N 442.632 6.508 30 10 IKEE Cc1ccc(C)c(OCc2nnc(SCc3cccc(F)c3)n2N=Cc2ccc[nH]2)c1C 2327256059 KWPFFKXXGBZXSM-UHFFFAOYSA-N 449.555 5.424 30 10 IKEE CCSc1nnc(COc2cc(F)ccc2F)n1N=Cc1ccc(C(F)(F)F)cc1 2327450084 PVVNOLLJJLUKEN-UHFFFAOYSA-N 442.413 5.148 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccccc3Cl)n2N=Cc2ccncc2)cc1 2327611139 YXRCDFVPQFQDRI-UHFFFAOYSA-N 449.967 5.388 30 10 IKEE Cc1cccc(C=Nn2c(Cc3ccc(Cl)cc3)nnc2SCc2ccccc2)c1 2329101120 IPXMNYSEEYCJKB-UHFFFAOYSA-N 432.980 6.005 30 10 IKEE CCCOc1ccc(C=Nn2c(Cc3ccc(C)c(C)c3)nnc2SC)cc1OCC 2329381420 QOBAOYOYFTYKSW-UHFFFAOYSA-N 438.597 5.277 30 10 IKEE Cc1ccc(C=Nn2c(CCc3cccs3)nnc2SCc2cccc(C)c2)cc1 2329641161 ASDIOVYPHCXTFS-UHFFFAOYSA-N 432.618 5.916 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2ccc(F)cc2)cc1 2329938317 JSDYCBPYTRZHMG-UHFFFAOYSA-N 430.552 5.799 30 10 IKEE COc1ccccc1C=Nn1c(Cc2cccs2)nnc1SCc1ccc(C)cc1 2330316297 DQVNGRRDWQRTSK-UHFFFAOYSA-N 434.590 5.422 30 10 IKEE Cn1c(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)CCCC4)cc2)cc2ccccc21 2330680296 YHXWXVAGEMLJHI-UHFFFAOYSA-N 435.523 6.172 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)ccc1OC(=O)Cc1ccc(OC)cc1 2330976722 CSXAISDCLSMMLH-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)Cc1cc(Cl)ccc1Cl 2331183564 FFLGIZLTXOBJAA-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(Cl)cc3)c([N+](=O)[O-])c2)c(C)c1 2331224526 CFNHPUIAAYWFLL-UHFFFAOYSA-N 449.890 5.909 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OC(=O)c1cccs1 2331431396 APCYYIFOXZZNON-UHFFFAOYSA-N 442.876 5.254 30 10 IKEE O=[N+]([O-])c1cc(C=Nn2c(SCc3ccc(F)cc3)nnc2C2CCC2)ccc1Cl 2331491414 DQTDNIYITQNRMO-UHFFFAOYSA-N 445.907 5.421 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)Cc1ccc(F)cc1 2331508635 JMDPCBQUOINXQD-UHFFFAOYSA-N 432.491 6.002 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CCC2)cc1O 2331527728 UOPCMYLMTQGHKZ-UHFFFAOYSA-N 428.945 5.088 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)Cc1ccccc1Cl 2331709453 VVGWBAVMXRPETC-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)ccc1OC(=O)c1ccncc1 2331752226 AXFLPOBQNKMXJV-UHFFFAOYSA-N 437.879 5.176 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Cl)cc(Br)c1F 2337107795 XNYKEWPOZZOXQF-RDJZCZTQSA-N 447.776 5.199 30 10 IKEE Cc1ccc2nc(-c3ccc(/N=C/c4cccc(OCc5ccccc5)c4)cc3)sc2c1 3192920 RLVVCEFZLFJHBC-RDRPBHBLSA-N 434.564 7.601 30 10 IKEE CC1(C)C[C@@](C)(c2ccccc2)c2cccc3c2N1C(=O)/C3=N\c1ccc2c(c1)OCCO2 12406337 VHXBRGQYPOBSKD-VEVGFDJISA-N 438.527 5.414 30 10 IKEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c(Cl)cccc1Cl)N2 14546786 YINVJIVHPQUNSK-VFCRVFHLSA-N 435.376 5.284 30 10 IKEE CCOc1ccccc1/N=C1\SC[C@@H](C)N1C(=O)C1c2ccccc2Oc2ccccc21 16044871 MTQXMUIZZNAIMP-HWKJUCOASA-N 444.556 5.975 30 10 IKEE CC12CC3(C)CC(C)(C1)CC(C/N=C\c1cc([N+](=O)[O-])cc(Br)c1O)(C2)C3 22553882 YWUGJPNBJAWGHW-OUBWWKSTSA-N 435.362 5.869 30 10 IKEE O=C(/C=C\c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc(-c2ccccc2)cc1 34955623 GVIVRIRWWBQWKV-UWVJOHFNSA-N 449.462 6.377 30 10 IKEE COc1ccc(-c2cc(/C(C)=N\OCc3ccccc3)c(C)n2-c2ccccc2F)cc1 35843379 QFWABJHKGDWRCI-CEUNXORHSA-N 428.507 6.541 30 10 IKEE COc1ccc(C(=O)O/N=C2\CC(C)(C)Cc3c2cc(C)n3-c2cc(C)cc(C)c2)cc1 39853183 BCIIKTZJHLGLHS-ZZIIXHQDSA-N 430.548 5.945 30 10 IKEE O=C1N/C(=N\N=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)S[C@H]1Cc1ccccc1 39887865 XKKISRDNRPYTOB-JMJNUIHMSA-N 443.450 5.130 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)c(C)c2)[C@H]1c1cccc(OC)c1 40091756 IFYRQPXLAYCBDI-HSZRJFAPSA-N 437.536 5.171 30 10 IKEE O=[N+]([O-])c1cccc(/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1 59678370 WSMPZBDPPXRVMP-KEBDBYFISA-N 437.702 6.506 30 10 IKEE O=C(O)c1ccc(N/C(=N/Cc2ccc(F)cc2)NCC23CC4CC(CC(C4)C2)C3)cc1 65304893 NAYRNYTZXBACPU-UHFFFAOYSA-N 435.543 5.298 30 10 IKEE CCCCCCCCC(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc(C)c(C)c2)cc1 98021445 YSZBDCFPYRFCPA-AREMUKBSSA-N 438.637 6.771 30 10 IKEE CCCCCCCOc1cccc(NCC(=O)Nc2cccc(C(=O)N[C@H](C)CC)c2)c1 100090226 KCSDCCBVQRSXCZ-HXUWFJFHSA-N 439.600 5.615 30 10 IKEE O=C1/C(=C\c2ccc(Cl)c(Cl)c2)Oc2cc(OS(=O)(=O)c3ccccc3)ccc21 103023019 MCIVAUJGXHIQNR-RGVLZGJSSA-N 447.295 5.377 30 10 IKEE O=[N+]([O-])c1cc(/C=N/c2c(-c3ccco3)nc3ccc(Cl)cn23)ccc1Br 103757067 DMYFXGQEPTYKMW-ZVBGSRNCSA-N 445.660 5.669 30 10 IKEE COc1ccc(C)cc1[C@@H](C#N)C(=O)c1cc(Br)c(Br)s1 128467375 VSNQPWHAMBFATP-SNVBAGLBSA-N 429.133 5.080 30 10 IKEE CCCc1nnc(SCc2ccc(Br)cc2)n1/N=C\c1cccc(Cl)c1 135882202 SDHKTLVRPFITJO-UUYOSTAYSA-N 449.805 5.821 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc(C)c(C)c2)=C(O)C(=O)N1c1cccc(C)c1 169941670 FIQFRZJBDRMGQK-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1ccc(C)cc1C 169945274 SMUZDZIRULEBCL-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@@H]2c2cccs2)ccc1F 169987021 TVQVICMSAJFZPB-HXUWFJFHSA-N 441.911 5.940 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccncc2)s1 170016815 RYBUMACUVKZDGL-HXUWFJFHSA-N 433.533 5.061 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(O)c(Cl)c1)c1ccc(Cl)cc1 170040911 XHDJVHUSBFIRLE-FQEVSTJZSA-N 440.282 5.482 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccccc2F)ccc1F 170070937 LHJZSHVOGUCWDJ-NRFANRHFSA-N 439.845 5.710 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccccc1F)c1ccc(Cl)cc1 170070945 BABATRSFENPYTJ-FQEVSTJZSA-N 442.273 5.915 30 10 IKEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1sccc1C 170107346 NIMFWOLHDWKWRI-JOCHJYFZSA-N 448.588 5.130 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2cccc(C)c2)cc1 170140223 QYZICKBELVGMAT-QHCPKHFHSA-N 431.463 5.316 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@@H]1c1ccc(C(C)(C)C)cc1 170149959 LNIYQSKIAVUWRM-QFIPXVFZSA-N 439.527 5.510 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccs2)c1 170154168 JANKVRIAXRWNKV-FQEVSTJZSA-N 439.558 5.377 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccccn1 170169213 IAUPCBSCHJSDRM-QHCPKHFHSA-N 444.506 5.610 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2cccnc2)c1 170187318 KBYSLGZJTUYHKM-XMMPIXPASA-N 442.515 5.270 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccncc2)c1 170205403 NEEKCEPVCTXGKU-DEOSSOPVSA-N 442.515 5.270 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2C2CCCC2)c1 170218636 SGJKLHWRULMDDZ-XMMPIXPASA-N 449.547 5.393 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccccc2)c1 170222977 ZDUUDWLWPWVBDB-HSZRJFAPSA-N 449.453 5.537 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccccc1)c1c[nH]c2ccccc12 170226393 HTDOVHVFULEDPS-JOCHJYFZSA-N 428.875 5.604 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(Cl)cc2)c1 170236927 IHDHZQBAJIJYPW-QFIPXVFZSA-N 439.939 5.650 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(C(C)C)cc1 170245864 XQYMZZYQUCXUDF-JOCHJYFZSA-N 436.508 5.487 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(OCC(C)C)c2)=C(O)C(=O)N1c1ccccc1 170272053 DVEFOQOHQJZYPO-VWLOTQADSA-N 441.527 5.813 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccccc2C)cc1 170272595 VIUMOAHFISMJCP-BVZFJXPGSA-N 439.511 5.410 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1ccco1)c1cccc2ccccc12 170296747 POEOMSKATRSQGW-XMMPIXPASA-N 441.458 5.393 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccc(C)o2)c1 170304540 DVGTWHHZVYKBMQ-QHCPKHFHSA-N 447.487 5.172 30 10 IKEE CC1(C)OB(c2cc(Br)cc(Br)c2-c2ccccc2)OC1(C)C 196152170 XATPQGHJOGUTJL-UHFFFAOYSA-N 437.968 5.178 30 10 IKEE CN(C)c1ccc(/C=C/C=N/N=C2/CC[C@@H]3[C@H]4CC[C@@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]23C)cc1 253567695 KJCIEPRMJJUJPF-JXVOVWTASA-N 445.695 7.625 30 10 IKEE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@H]1c1cccc(C)c1 526491534 PNYOBSRYZOQLOA-DEOSSOPVSA-N 440.499 5.331 30 10 IKEE CC(C)COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccs2)c1 526605173 NLYQGYCJWJVBRE-HSZRJFAPSA-N 430.529 5.712 30 10 IKEE CC(=O)Oc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)cc1 526744980 VUQIAOCRHCETHR-QFIPXVFZSA-N 447.874 5.048 30 10 IKEE Cc1ccc(COc2ccccc2/C=N\n2c(C)nnc2SCc2ccc(C)cc2)cc1 526804236 JLKCDZMBCDNTDM-YUMHPJSZSA-N 442.588 5.957 30 10 IKEE CCCCCOc1ccc(/C=N\n2cnnc2SCc2cccc(C)c2)cc1OCC 526809147 ZYSLOTAAWGEDTH-QQXSKIMKSA-N 438.597 5.729 30 10 IKEE C=C1CC[C@H](O)C/C1=C\C=C1/CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@H](C)/C=C/[C@](C)(O)C(C)(C)O 605699012 BPEQZNMKGFTMQE-YNEODYIESA-N 428.657 5.871 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@](C)(C#N)COCc1ccccc1 698450348 DOSZQIJPKCTPMB-JOCHJYFZSA-N 445.357 5.690 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 698471506 UOEZGHIIIALDGT-YADARESESA-N 429.561 5.418 30 10 IKEE COc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)cc1F 698482647 QFYQCTHACXWZHU-KRWDZBQOSA-N 435.293 5.603 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCC[C@@H](C(F)(F)F)C1 698495636 DOJZODIJCJUNBH-FZKQIMNGSA-N 447.295 6.205 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C1 724032779 NERYCQQFKMZKMV-QMHKHESXSA-N 433.524 5.297 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)NC(=O)Nc2ccc(OCc3ccccc3)cc2)c1 821206054 RNRKNOBWSSQXSG-UHFFFAOYSA-N 443.547 6.065 30 10 IKEE Cc1ccc(N=Cc2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1Cl 1084227430 BELSBWUUODIJJB-UHFFFAOYSA-N 441.177 7.559 30 10 IKEE O=C1C(=NNC(=S)Nc2ccccc2)c2ccccc2N1Cc1cccc2ccccc12 1084275478 NYTRQCAAOYQENJ-UHFFFAOYSA-N 436.540 5.077 30 10 IKEE CC(/C=C/c1ccccc1)=NNc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N 1084448607 VDGHTICUOOILET-CUAYFNFHSA-N 433.368 5.092 30 10 IKEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)O[C@@H](c1csc2ccccc12)C(F)(F)F 1435790994 BSZSFSUZGASQOT-IBGZPJMESA-N 434.439 5.270 30 10 IKEE CCOc1ccc(/C=C2/SC(=Nc3cccnc3)N(C3CCCCC3)C2=O)cc1OC 1772732494 XOXZJUHCZPKKPM-MUJYFGONSA-N 437.565 5.426 30 10 IKEE C=CCN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=Nc1nc(-c2ccccc2)cs1 1772738523 QDADWIPBCWQVBO-HRXHUYTNSA-N 437.977 6.254 30 10 IKEE N#Cc1ccc(NC(=O)c2nc(COc3ccc(Cl)cc3Cl)n3ccccc23)cc1 1858337753 WDUSBPREKYCVKF-UHFFFAOYSA-N 437.286 5.344 30 10 IKEE N#Cc1cccc(C(=O)NCc2ccc(OC(=O)CCCc3ccc(Cl)cc3)cc2)c1 1859036559 LTZNGVJZBXACNQ-UHFFFAOYSA-N 432.907 5.070 30 10 IKEE CCc1cc(Br)cc2c1O[C@]1(C=C2)CCN(c2nccc(C(C)C)c2C#N)C1 1859828634 SLVAUKSIFIKNHZ-HSZRJFAPSA-N 438.369 5.456 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1F)c1ccc(Cl)cc1Cl 1862381473 ATXRXTKZJBRWIJ-LJQANCHMSA-N 446.261 5.504 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1cccc(OCCC)c1 1862418039 DTJSSRYSGPWHPO-OAQYLSRUSA-N 429.463 5.132 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862476784 OLRJZBPFHFCVMT-DEOSSOPVSA-N 431.532 5.472 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccccc2Cl)c1 1862491698 ZABCLUVTNTUPAZ-MHECFPHRSA-N 445.946 6.296 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(Br)cc1 1862496256 GMBYMAKFVZYLFQ-QRWLVFNGSA-N 442.353 5.443 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccccc1Cl 1862527063 NUNWTOFLCPVBGQ-QGZVFWFLSA-N 434.717 5.089 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2ccccc2F)c1 1862660302 KAZBNHRGSPPPQO-RUZDIDTESA-N 443.518 6.036 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(N(CC)CC)cc1 1862680025 SECCTEFFSCKSFB-QHCPKHFHSA-N 438.543 5.440 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCCCO)[C@@H]1c1ccccc1Cl)c1ccc2ccccc2c1 1862712182 LZSLVAUFKGUQEX-HSZRJFAPSA-N 449.934 5.234 30 10 IKEE Cc1cc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(C(C)C)cc3)C2=O)ccc1F 1863092862 FMUIHDIYAKEVKS-UHFFFAOYSA-N 439.490 5.526 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2OC)=C(c2ccc(OC)cc2)C1=O 1863327177 NZLNOJRUDOHMKL-UHFFFAOYSA-N 436.552 5.256 30 10 IKEE CCCCCCCCNC1=C(c2ccc(Cl)cc2)C(=O)N(Cc2ccc(F)cc2)C1=O 1863530717 QGFLNVXZTFRUSS-UHFFFAOYSA-N 442.962 5.709 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccncc2)=C(c2ccccc2OC)C1=O 1863765953 FNHIQSVAUKOQDP-UHFFFAOYSA-N 449.595 5.101 30 10 IKEE COc1ccc(C(=O)Nc2ccc(C#N)cc2C(=O)c2cccc(C)c2)cc1Br 1865964356 KKILAQAIVOUXGR-UHFFFAOYSA-N 449.304 5.121 30 10 IKEE C=CCN(CC=C)c1cc(N2CCN(c3ccc(F)cc3)CC2)nc(-c2ccccc2C)n1 1867959172 NZPRYHRFQOJKBU-UHFFFAOYSA-N 443.570 5.096 30 10 IKEE CN(CC(C)(C)c1ccccc1)c1cc(Nc2ccc(C#N)cc2)nc(-c2ccccc2)n1 1868377086 VWNXNXOYGTXNPG-UHFFFAOYSA-N 433.559 6.173 30 10 IKEE CCCc1nc(Nc2ccccc2C#N)cc(N2C[C@H](C)N(c3ccccc3)[C@@H](C)C2)n1 1868398405 MFGNAUZSHYDMTH-PMACEKPBSA-N 426.568 5.148 30 10 IKEE C=CCOc1cn(Cc2ccccc2F)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870246211 SYKIXUJIFDBZML-UHFFFAOYSA-N 449.551 5.085 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)NC(C)C)c(=O)cc1CSC(C)C 1870285683 IDNPVDOXEPWNTB-UHFFFAOYSA-N 438.678 5.534 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)c(Cl)c2)c(=O)cc1CN(C)Cc1ccccc1 1870404775 QYWOGFAUSFNRRG-UHFFFAOYSA-N 443.374 5.552 30 10 IKEE CCCCCCCOc1cn(CCC)c(CN2CCN(c3ccccc3F)CC2)cc1=O 1870409449 SRELCMVINXDUBF-UHFFFAOYSA-N 443.607 5.069 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCCCCCC)cn1CCCOCCCC 1870409556 WSPLMTDEFILCGM-UHFFFAOYSA-N 432.649 5.578 30 10 IKEE CCCCCCCOc1cn(CCCC)c(CNc2cccc(C(C)(C)C)c2)cc1=O 1870830669 VRNJSIAXQWKPOO-UHFFFAOYSA-N 426.645 6.907 30 10 IKEE C=CCn1cc(OCCCCCCC)c(=O)cc1CNc1ccc(OCCCC)cc1 1870833221 DFMGBXMFTQDZAL-UHFFFAOYSA-N 426.601 6.175 30 10 IKEE C#CCOc1cn(CCCCCCCCCC)c(CNc2ccc(OC)cc2C)cc1=O 1871006135 QRALLQLVPRILIS-UHFFFAOYSA-N 438.612 5.930 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1cccs1)O3)CN(C13CC4CC(CC(C4)C1)C3)CO2 1871353252 OHEQQUCHLJBBQG-AFPJDJCSSA-N 433.573 5.793 30 10 IKEE Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)c(C)c1 1871402889 OWXHSXAKEXZTCA-DNNAEVNTSA-N 445.490 5.773 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(O[C@@H](C)C(=O)Nc3c(C)cccc3C)ccc2C1=O 1871430770 BLGRANGFQROCJP-WBRURWICSA-N 433.529 5.696 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(O)cc4)ccc3C2=O)cc1 1871442379 DFPXYDAXSOUDHS-CFRMEGHHSA-N 429.472 5.149 30 10 IKEE CCCCCCCCCCN=c1nc(N2CCCCCC2)[nH]c(=Nc2cccc(F)c2)[nH]1 1871546618 XVAABSFZNDCGRE-UHFFFAOYSA-N 442.627 5.531 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1ccccc1 1872297638 JFCJWAFFULHJJL-JOCHJYFZSA-N 449.016 5.269 30 10 IKEE CCCCCCCCNC(=O)c1nonc1OCc1c(Cl)ccc(Cl)c1Cl 1872710576 GJUGPEDUFYEMQU-UHFFFAOYSA-N 434.751 5.699 30 10 IKEE CCc1ccc(-c2csc([C@H](C#N)C(=O)c3c(Cl)ccc(Cl)c3Cl)n2)cc1 1872761693 SSJHXLHHOLFUPF-CYBMUJFWSA-N 435.763 6.823 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)c2ccc(OC(C)=O)cc2)n1 1872777911 ZCOVBBOSAAFTBE-FQEVSTJZSA-N 448.544 5.532 30 10 IKEE COc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)c(OC)c1 1872780526 JIKYPKGGWMZHAO-FHVRUZERSA-N 448.544 5.342 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@H](C#N)C(=O)c2cc([N+](=O)[O-])ccc2Cl)n1 1872788997 WFYSJSFOCPIIHP-CQSZACIVSA-N 448.287 5.524 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(OCC(C)C)c3)n2)cc1Cl 1872789334 GFFUTPDNSJPYTA-GOSISDBHSA-N 440.952 5.997 30 10 IKEE C=CCN1C(=O)C(Nc2cccc(OCc3ccccc3)c2)=C(c2ccccc2Cl)C1=O 1873195399 RBARTABVENFWJS-UHFFFAOYSA-N 444.918 5.297 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](C)Oc1cc(C)cc2oc(=O)c3c(c12)CCCC3 1873935713 WRCFEZITKRZOKX-FQEVSTJZSA-N 441.612 6.004 30 10 IKEE Cc1ccc(OCCCc2nnc(SCc3ccccc3)n2/N=C/c2ccco2)cc1 1874252724 WNTAKDNRSOOUEL-KOEQRZSOSA-N 432.549 5.366 30 10 IKEE CCOc1ccc(/C=N/n2c(Cc3cccc4ccccc34)nnc2SCC)cc1OC 1874269532 AZJNTHUGUOFZRW-YZSQISJMSA-N 446.576 5.424 30 10 IKEE C=C(C)CSc1nnc(COc2c(C)cccc2C)n1/N=C/c1cc(Cl)ccc1O 1874299808 UAWQZYDMAODPSW-BHGWPJFGSA-N 442.972 5.383 30 10 IKEE C=CCSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1cccc(OCCC)c1 1874320654 CEQLKYOIHCVQER-PCLIKHOPSA-N 436.581 5.423 30 10 IKEE Cc1ccc(C)c(CSc2nnc(COCc3ccccc3)n2/N=C/c2ccco2)c1 1874355543 PDVNQOZDMCHDDU-AFUMVMLFSA-N 432.549 5.379 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccccc2C)cc1C 1874356927 HBAGRTWOVNVXAT-LQKURTRISA-N 444.579 6.108 30 10 IKEE CSc1nnc(CCc2cccs2)n1/N=C/c1ccc(OCc2ccc(C)cc2)cc1 1874369682 MDZLEYNKGKAQAO-PCLIKHOPSA-N 448.617 5.616 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccccc3)n2/N=C/c2cccc(O)c2)c1 1874384023 UMZGUVVNPRWZJK-MFKUBSTISA-N 430.533 5.046 30 10 IKEE CC(C)(C)c1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2cccs2)cc1 1874422298 FKDVOISEDADSLF-PCLIKHOPSA-N 432.618 6.479 30 10 IKEE Oc1ccccc1/C=N/n1c(SCc2c(F)cccc2Cl)nnc1-c1cccs1 1874425537 NXWBNSLARRDPQI-FOKLQQMPSA-N 444.944 5.679 30 10 IKEE CSc1nnc(CC(C)(C)C)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874435557 MPSFYKXKXOUIOV-ZVHZXABRSA-N 428.989 5.703 30 10 IKEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3cc(C)ccc3C)nnc2C(C)(C)C)c1 1874481204 OVRXKEQGJPQKQN-AFUMVMLFSA-N 435.597 5.114 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2ccccc2Cl)c1 1874487264 INEGNUBBBQDHAV-ZMOGYAJESA-N 441.988 5.051 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(C3CCC3)n2/N=C/c2c[nH]c3ccccc23)cc1 1874494003 ADFGYKPUOSQPNP-ZMOGYAJESA-N 432.509 5.110 30 10 IKEE Brc1ccc(/C=N/n2c(SCc3ccccc3)nnc2C2CCC2)cc1 1874495685 ZEQRBPSLPZYLJZ-LPYMAVHISA-N 427.371 5.483 30 10 IKEE CCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874526990 RCLZDVVSOFFZOK-SSDVNMTOSA-N 429.933 5.193 30 10 IKEE CCc1ccc(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1 1874571733 CWLFWKRVMKVRRB-RVDMUPIBSA-N 445.515 5.180 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1 1874574123 WGNHEGCASSWTSO-WYMLVPIESA-N 439.382 7.811 30 10 IKEE COc1cc(C(=O)/C=C/c2c(OCCCO)ccc3ccccc23)c(OC)cc1Cl 1874587625 WLNUWFZVKBOWPD-MDZDMXLPSA-N 426.896 5.168 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OCc1cccc(Cl)c1 1874603374 PEQHPVPITQGCRH-UKTHLTGXSA-N 428.915 6.977 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(OC)c1OCc1cccc(Cl)c1 1874613200 HYDWPGQWIMHENB-IZZDOVSWSA-N 443.326 6.486 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(OC)c1OCC(=O)N(CC)CC 1874614741 XBGXAHCYMVAIKR-NTEUORMPSA-N 441.955 5.220 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)c([N+](=O)[O-])c2)cc1 1874615999 GQBNLVUBUZCOLF-NRJHKNTJSA-N 444.487 5.056 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C 1874616686 NYCWOPDCJXJVCF-MDWZMJQESA-N 429.516 5.534 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 1874619650 LLSLEDPTALEWOW-UXBLZVDNSA-N 427.327 6.786 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OCC(=O)Nc2cccc(C)c2C)cc1 1874629672 OGAPCPGDDPPROK-SDNWHVSQSA-N 443.543 5.842 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccccc1C 1874632923 BYOKQRUVJSSGCX-ACCUITESSA-N 434.963 7.139 30 10 IKEE COc1ccccc1CCC(=O)Oc1cccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c1 1874693572 LSDHGCBYZIQAIU-GHRIWEEISA-N 440.539 6.008 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)c2)cc1 1874694394 APNQPMWBFUQKEB-LAINMTBBSA-N 442.555 6.641 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccc(Cl)cc3)c2)c1 1874694665 OOEOUHBWSSPVQE-XYOKQWHBSA-N 436.891 5.401 30 10 IKEE Cc1cc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(F)cc3F)c2)ccc1Cl 1874699811 OCPLTIHYYLCXSJ-BJMVGYQFSA-N 442.845 5.807 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(-c3ccccc3)cc2)c1)c1ccc2c(c1)OCO2 1874707665 QBFWPESENPXURC-OQLLNIDSSA-N 448.474 6.198 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)cc1 1874709558 HHAWANNVHFFOIU-AWNIVKPZSA-N 449.890 6.487 30 10 IKEE CCCOc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3c(C)cc(C)cc3C)c2)cc1 1874716262 KJSMUYJBVQODMU-SDNWHVSQSA-N 442.555 6.445 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)cc1C 1874718333 UVCWFTZTXXBCDV-PKNBQFBNSA-N 445.471 5.644 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C(=O)CCN(CCCC)CCCCCC)cc1 1874747395 HHZQQRIGMJNFBR-UHFFFAOYSA-N 445.688 7.598 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc(Cl)c1OC(=O)CC 1875078537 PSNWLGHHBIDTBT-XNTDXEJSSA-N 434.919 6.617 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3OC)c([N+](=O)[O-])c2)cc1 1875100532 FZGZBKLSRRTOMA-GXDHUFHOSA-N 445.471 5.210 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccncc3)c([N+](=O)[O-])c2)cc1 1875106282 LDHFIQKLPSNONV-YRNVUSSQSA-N 430.460 5.448 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc(N(C)C)cc1 1875110281 CXQFJDOPUGADJV-OQLLNIDSSA-N 449.934 5.920 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc([N+](=O)[O-])c1OC(=O)c1ccccc1 1875113086 SJQZOMFRFPHPEW-NTEUORMPSA-N 447.443 5.117 30 10 IKEE CCCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2cccc(Br)c2)cc1OC 1875114771 UZCCOIPDTGVJNO-ZHACJKMWSA-N 447.325 5.458 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3OC)cc2Cl)cc1 1875119018 ZQZXWQMHXZDPET-NTCAYCPXSA-N 448.946 6.345 30 10 IKEE COc1ccc(CCC(=O)Oc2c(OC)cc(/C=C/C(=O)c3ccccc3)cc2OC)cc1 1875128425 YGLAAFKHSISDKI-RVDMUPIBSA-N 446.499 5.147 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2OCC)CC1 1875128637 MPJDFZGOYVZDKY-NBVRZTHBSA-N 434.576 6.883 30 10 IKEE O=C(CC12CC3CC(CC(C3)C1)C2)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1 1875149904 NKVCRYMDDWAOCO-XVNBXDOJSA-N 444.527 5.823 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2OC)c1 1875150350 JGTZYCQQPASTTG-OQLLNIDSSA-N 444.527 6.117 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)c1ccc(F)cc1 1875160126 BOZDHKVYFWNFBZ-XNWCZRBMSA-N 446.808 5.881 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(F)c3)cc2)cc1 1875161754 GEFHRPFMPLOIEO-LHHJGKSTSA-N 438.426 5.244 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc(OC)c1OC(=O)CC 1875165025 NCYKCVURVFJXRW-VAWYXSNFSA-N 436.548 6.076 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc(OC)c1OC(=O)C(C)C 1875165672 SLAHPPLUFYJGQY-XNTDXEJSSA-N 446.499 5.954 30 10 IKEE C=C(COCCC)[C@H](N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875653419 XUSNBEGNUSNBBG-NSOVKSMOSA-N 447.575 5.188 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cc4cccc(OCC)c4o3)ccc21 1890946234 IMUHWENFPWAAQW-UHFFFAOYSA-N 434.492 5.021 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](C)CCC[C@@H](C)NC(=O)OC(C)(C)C 1922072471 VCEXXTNPTURWPN-BGWNEDDSSA-N 432.649 5.847 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1CC2(CCCC2)CN1C(=O)OC(C)(C)C 1922116350 PNONOLVCSNKXFG-BJKOFHAPSA-N 442.644 5.697 30 10 IKEE CCC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 1945772208 HLUIFNMBXSHKKK-VQIMIIECSA-N 435.540 5.400 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@@](C)(NC(=O)OC(C)(C)C)C(F)F)NCCC 1981258616 GFGPOQLVPDJPJZ-AUSIDOKSSA-N 426.548 5.066 30 10 IKEE CC(C)(C)OC(=O)N(CCNc1ccc(C(F)(F)F)cc1C#N)OCc1ccccc1 1998960458 KIZTVLUYQAVTIF-UHFFFAOYSA-N 435.446 5.358 30 10 IKEE C=CCN(CC[C@@H](Cc1cc(Cl)ccc1Br)NC)C(=O)OC(C)(C)C 2037971007 YAJXNGAYWWXKPV-INIZCTEOSA-N 431.802 5.046 30 10 IKEE C=C([C@H](NCCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)C(C)(C)C 2041909045 GHNVJKKUUXLDBU-WNCULLNHSA-N 444.660 5.801 30 10 IKEE CN(c1ccccc1)c1ccc(C=C2SC(=NC3CCCCC3)NC2=O)cc1[N+](=O)[O-] 2053514884 YCBRUIXQSQPSNC-UHFFFAOYSA-N 436.537 5.255 30 10 IKEE C=C(COCC)[C@@H](NCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071263775 ZJHBLYYHWGPSBG-MUUNZHRXSA-N 431.576 6.088 30 10 IKEE N#Cc1c(C2CCCCC2)nn2c(Cl)cc(-c3ccc(F)c(Br)c3)nc12 2081396927 XROGBBNAQQAPJG-UHFFFAOYSA-N 433.712 5.871 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CC[C@H](P(C)(C)=O)C1 2104502587 XXKRWMNDDRWIRF-LIRRHRJNSA-N 441.306 5.628 30 10 IKEE C=CCCCC[C@@H](NCCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2123080664 OXORYJOEKLXZDJ-LJQANCHMSA-N 425.411 6.583 30 10 IKEE C=CCN(CC[C@@H](Cc1cc(F)cc(Br)c1)NCCC)C(=O)OC(C)(C)C 2155517536 VSEXTBQEIZWIRW-IBGZPJMESA-N 443.401 5.312 30 10 IKEE C[C@H](c1cscc1Br)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2186593742 CXLFVGULUNFJLG-CQSZACIVSA-N 436.224 5.003 30 10 IKEE C=CCCCCCCC[C@@H](N)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2227269726 BPIAHUCLLUZSEE-LJQANCHMSA-N 425.411 6.713 30 10 IKEE N[C@@H](C#Cc1ccccc1Br)c1ccc(Br)c(Br)c1 2227463746 PLDCCHOOFOQYFO-HNNXBMFYSA-N 443.964 5.026 30 10 IKEE O=C(OCc1ccccc1)N(CC(F)(F)F)[C@H](CO)c1cc(F)ccc1C(F)(F)F 2235302696 JKAJTEHSSGCCKQ-MRXNPFEDSA-N 439.327 5.079 30 10 IKEE CCCCCC#CC[C@H](O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237395085 XYPQLQQEKLBXLY-UXHICEINSA-N 438.406 5.220 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@H]2CCCC[C@H]2N(C(=O)OC(C)(C)C)C1 2246639783 ZQZYYXNNGMTXAK-IECBHUPTSA-N 435.609 5.341 30 10 IKEE C=C([C@H](NCCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1)[Si](C)(C)C 2248464046 XQOLRQPPFFDYQM-QFIPXVFZSA-N 446.708 5.242 30 10 IKEE C[C@H](COCc1ccccc1)COCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2252729167 WKDVZBXLOMRVRL-GOSISDBHSA-N 430.781 5.009 30 10 IKEE Cc1c(Br)sc([C@H](C#N)N(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)c1C 2254664391 HNAXEKNSKPBCKT-KBPBESRZSA-N 429.380 5.108 30 10 IKEE CC(C)CN(Cc1ccccc1)C(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1Cl 2256013355 DMWMIZYWCDJVLI-UHFFFAOYSA-N 445.771 5.077 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1ccc(NC(=O)OC(C)(C)C)c(C)c1C 2256264076 ZPDUZBXOTFGJSV-VWLOTQADSA-N 438.612 6.464 30 10 IKEE Cc1cc(C(=O)N(Cc2ccccc2)C2CCCCC2)ccc1B1OC(C)(C)C(C)(C)O1 2267580853 KVYVRJUVBWWCQG-UHFFFAOYSA-N 433.401 5.269 30 10 IKEE C=C[C@@]1(Oc2nc3ccc(Br)cc3s2)CCCN(C(=O)OC(C)(C)C)C1 2278962078 SKIBHIHVZHCKQF-LJQANCHMSA-N 439.375 5.393 30 10 IKEE C[C@](O)(c1cc(Br)c(Br)s1)[C@]1(C#N)CCCC(F)(F)C1 2281187362 AANCMLPKSOAMQJ-NWDGAFQWSA-N 429.124 5.200 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H](Nc2cccc(Br)c2C#N)C(F)(F)CC1 2284571558 PKTDFLMXLQDWAB-MRXNPFEDSA-N 444.320 5.158 30 10 IKEE C[C@@]12CC[C@@]3(C)[C@]4(C)CC(=Cc5ccncc5)C(=O)[C@@]4(C)CC[C@]3(C)[C@@]1(C)CC[C@H](O)C2 2294712153 GYTNBVPAHRXQRC-UBKVXDNGSA-N 435.652 6.608 30 10 IKEE COc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 2296110667 VHZOHYRWKVKIDZ-XMMPIXPASA-N 445.902 5.531 30 10 IKEE CC(C)[C@@H](CCNC(=O)OC(C)(C)C)CC[C@H](O)C#Cc1ccc(Br)cc1 2296277963 YSCOMSDNEFOQCD-UYAOXDASSA-N 438.406 5.129 30 10 IKEE C=CCN1C(=O)C(=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)SC1=S 2296453247 AQTGFZYVSHVTSY-UHFFFAOYSA-N 436.385 5.960 30 10 IKEE Cc1nc(N2C(=O)C(=O)C(=C(O)c3ccc(F)cc3)[C@@H]2c2cccc(Cl)c2)sc1C 2296766431 OGZVJXQLZSJEIL-SFHVURJKSA-N 442.899 5.179 30 10 IKEE Clc1ccc(C=CC=Nc2ccc3oc(-c4ccc5ccccc5c4)nc3c2)c(Cl)c1 2297096237 SUJMRLHEGFTHJI-UHFFFAOYSA-N 443.333 8.371 30 10 IKEE C=CCN1C(=O)C(=C2Sc3ccccc3N2C)SC1=Nc1ccc(Cl)c(Cl)c1 2297453484 RCXMEQWTKYVIIY-UHFFFAOYSA-N 448.400 6.154 30 10 IKEE COc1ccc(C(=O)C=CNc2ccc(NC=CC(=O)c3ccc(OC)cc3)cc2)cc1 2297554224 LHEGFAUWEYPCOX-UHFFFAOYSA-N 428.488 5.321 30 10 IKEE COc1c2c(cc3c1[C@@H](CC(=O)C(C)=C[C@H]1C(C)=CCCC1(C)C)N(C)CC3)OCO2 2297731143 SSFGQCRZUFDDEM-VQTJNVASSA-N 425.569 5.241 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCc4c(Cl)cccc4Cl)ccc3C2=O)cc1 2314437013 AAIBKZNWLZAOMP-UHFFFAOYSA-N 425.311 6.751 30 10 IKEE Cc1nnc(N=C2SC(=Cc3c(F)cccc3Cl)C(=O)N2C2CCCCC2)s1 2314548577 VSGDEZJHQZUXCR-UHFFFAOYSA-N 436.965 5.576 30 10 IKEE C=C(C)CSc1nncn1N=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2321281230 QTFULGCMYFOIEL-UHFFFAOYSA-N 433.364 5.714 30 10 IKEE COc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(CCc1ccc(F)cc1)C3 2321936999 BLVQEKNBPWDYJY-UHFFFAOYSA-N 445.490 5.154 30 10 IKEE Cc1c2c(cc3c1OC(=CC=Cc1ccccc1)C3=O)CN(CCC1=CCCCC1)CO2 2322377414 FSFNOIIHZVVLJA-UHFFFAOYSA-N 427.544 6.210 30 10 IKEE Cc1cccc(COc2ccc3ccccc3c2C=CC(=O)c2ccc3c(c2)OCCO3)c1 2322668161 UMOPMCPIPVDNHY-UHFFFAOYSA-N 436.507 6.395 30 10 IKEE O=C(Cc1ccc(Cl)cc1)Oc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O 2322890054 QVWSICLEJAIZAT-UHFFFAOYSA-N 425.267 5.758 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3c(C)cccc3C)c2)cc1 2323135371 HZUKSZMBBGUVMZ-UHFFFAOYSA-N 429.516 5.616 30 10 IKEE C=CCN(Cc1ccccc1)[C@@]1(C(=O)O)CN(Cc2ccccc2)C2(CCCCCC2)C1 2323305149 NGYOJQYYYUXQII-MUUNZHRXSA-N 432.608 5.497 30 10 IKEE CC(C)c1ccc(C=C2Oc3cc(OC(=O)c4cccc5ccccc45)ccc3C2=O)cc1 2323472548 JXKGYMYAZIIZMW-UHFFFAOYSA-N 434.491 6.799 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Br)cc2)ccc1OCc1ccccc1 2323595865 RPXQCUQCTBBYKD-UHFFFAOYSA-N 437.333 6.323 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccccc3Cl)cc2OC)cc1 2323627075 AXKITCBVABRGKR-UHFFFAOYSA-N 449.934 5.825 30 10 IKEE CCCCCCCCCCN1C(=O)C(=Cc2ccccc2Br)SC1=S 2323720946 WVWAJJPRTLWUME-UHFFFAOYSA-N 440.472 6.791 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(O)c3CN3CCC(Cc4ccccc4)CC3)C2=O)c1 2324029765 QBDLWOJVTWATTN-UHFFFAOYSA-N 439.555 5.772 30 10 IKEE CCN(CCc1ccncc1)Cc1c(O)cc(C)c2c1OC(=Cc1cccc(Cl)c1)C2=O 2324091028 NUJLZNWPBRCQTF-UHFFFAOYSA-N 448.950 5.430 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3C)c([N+](=O)[O-])c2)c(C)c1C 2324305360 MMWIWZYMDFKZAY-UHFFFAOYSA-N 431.488 6.004 30 10 IKEE Cc1cc(O[C@H](C)C(=O)OC(C)C)cc2c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O2 2324305580 LLYRBZNUEXBJRC-CYBMUJFWSA-N 435.303 5.637 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccccc2C)C3=O)cc1 2324380822 WGDKYBXFLJZLGU-IBGZPJMESA-N 427.500 5.634 30 10 IKEE N#C[C@H](C(=O)C(=Cc1ccccc1)c1ccccc1)c1nc(-c2ccc(F)cc2F)cs1 2324465066 VGQBTHQMCQZTAD-JOCHJYFZSA-N 442.490 6.505 30 10 IKEE CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccccc2)C3=O)cc1 2324521860 LEPSFYPLAQBTPS-GOSISDBHSA-N 443.499 5.416 30 10 IKEE COc1cc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3C)cs2)ccc1OC(C)=O 2324522154 VTKZAULUGKXJMO-HXUWFJFHSA-N 446.528 5.251 30 10 IKEE CCCOc1c(Br)cc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OCC 2324563959 YIJYOEBYORRPQI-UHFFFAOYSA-N 431.370 6.458 30 10 IKEE Cc1ccccc1OCCCCOc1cc(C)c2c(c1)OC(=CC=Cc1ccccc1)C2=O 2324599209 QVQRRWGMGJROEC-UHFFFAOYSA-N 440.539 6.714 30 10 IKEE Cc1cc(OCC(=O)Nc2nc3ccccc3s2)cc2c1C(=O)C(=Cc1cccs1)O2 2325590013 FAGIZBGGICEKHH-UHFFFAOYSA-N 448.525 5.300 30 10 IKEE C[C@H](C(=O)Oc1cccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)c1)c1ccccc1 2325669589 HRXJLSUYGORADY-QFIPXVFZSA-N 432.519 6.959 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccccc2[N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 2325702226 PJUNYTSOAYFRLU-UHFFFAOYSA-N 427.456 5.589 30 10 IKEE CCc1cccc(CC)c1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccccc1)C2=O 2325718741 KXKRCNGIAMQIEK-UHFFFAOYSA-N 441.527 5.754 30 10 IKEE COc1ccccc1C(=O)C=Cc1cccc(OC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)c1 2325724718 QVMYUKUTPHYMRA-FGZHOGPDSA-N 432.903 5.954 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1OC(=O)c1cc2ccccc2n1C 2325727842 XZUXTFZGYPWGCJ-UHFFFAOYSA-N 445.902 5.956 30 10 IKEE COc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2325731608 OANUPIFEOAKTLA-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccc(OC)cc1)C2=O 2325737243 AVRUSYBBLDGYDC-UHFFFAOYSA-N 443.499 5.200 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccccc3Br)c2)cc1 2325750659 YPZWNBAJHIHZDT-UHFFFAOYSA-N 449.344 6.688 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1OC(=O)c1cc2ccccc2n1C 2325753321 HFXVPVYYWUUDHB-UHFFFAOYSA-N 447.437 5.580 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OC(=O)c1cccc([N+](=O)[O-])c1 2325764368 ZZKNHKRLYMVKSY-UHFFFAOYSA-N 445.471 5.644 30 10 IKEE CCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1N=Cc1ccccc1C 2325817285 JTNYNIYQIFEWOY-UHFFFAOYSA-N 438.597 5.466 30 10 IKEE CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1c[nH]c2ccccc12 2326130663 MGESNHYFJKEULR-UHFFFAOYSA-N 439.972 5.603 30 10 IKEE C=CCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccccc1[N+](=O)[O-] 2327766884 KQDAQFXDNUAJIQ-UHFFFAOYSA-N 429.505 5.091 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2)n1N=Cc1ccc(C(F)(F)F)cc1 2328754333 XORSUVGFMTYJDD-UHFFFAOYSA-N 448.514 5.693 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(F)c3)n2N=Cc2ccccc2)cc1C 2329405602 ZYSQWUMACZUEEU-UHFFFAOYSA-N 430.552 5.799 30 10 IKEE Cc1ccccc1C=Nn1c(CCc2cccs2)nnc1SCc1ccc(F)cc1 2329636154 JRIKJTBHUVXQGC-UHFFFAOYSA-N 436.581 5.747 30 10 IKEE CCSc1nnc(CC2CCCCC2)n1N=Cc1ccc(OCc2ccc(C)cc2)cc1 2330258799 DSYQXHWFOSYYDE-UHFFFAOYSA-N 448.636 6.283 30 10 IKEE Cc1cccc(C=Nn2c(SCC(=O)Nc3ccccc3C)nnc2-c2cccs2)c1 2330552161 PBQIOZDNHRISFW-UHFFFAOYSA-N 447.589 5.236 30 10 IKEE Fc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2-c2ccccc2)c(F)c1 2330687423 TVXSVGBFUJUADF-UHFFFAOYSA-N 440.906 6.051 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1 2330742344 MJXYIFXITCOWEA-UHFFFAOYSA-N 435.863 5.926 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)ccc1OC(=O)c1ccc(CC)cc1 2330765572 XRYNZQVJHWNKOZ-UHFFFAOYSA-N 428.528 6.325 30 10 IKEE CN(C)c1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2[C@H]2CCCO2)cc1 2330990075 FBIBMFVDTQOZKJ-HXUWFJFHSA-N 441.988 5.024 30 10 IKEE O=C(COc1ccccc1)Oc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl 2331025599 UYRAVRWXEIRCTB-UHFFFAOYSA-N 437.835 5.129 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)c1ccc(F)cc1 2331136504 OWSOGUKCIVPAJL-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE CSc1nnc(-c2ccco2)n1N=Cc1c(OCc2ccccc2)ccc2ccccc12 2331164106 AUDXOUKRYHCMGO-UHFFFAOYSA-N 440.528 5.874 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccc(OC)cc3)cc2)cc1 2331295900 RJUHOZLESAPIAM-UHFFFAOYSA-N 446.499 5.365 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)c3cccc(Br)c3)cc2)c1 2331313412 JWAGODVYBNVWEX-UHFFFAOYSA-N 435.317 6.181 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)c1ccc(F)c(F)c1 2331326576 HNHCZWCAVOBVLE-UHFFFAOYSA-N 436.454 6.096 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)Cc1ccccc1 2331346977 UWTAAUAUQPRLER-UHFFFAOYSA-N 444.502 5.915 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(OC)ccc2OC)cc(Cl)c1OC(=O)CC(C)C 2331389181 AXOMOEVTFKEHFM-UHFFFAOYSA-N 446.927 5.604 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1 2331432631 NRUFWJFCYKMWLO-UHFFFAOYSA-N 444.483 5.384 30 10 IKEE CCCCCCC(=O)Oc1c(OC)cc(C=CC(=O)c2ccc3c(c2)OCO3)cc1OC 2331436351 QDKMEGRKAPKRKE-UHFFFAOYSA-N 440.492 5.204 30 10 IKEE C=CCSc1nnc(C2CCC2)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2331532477 ICOABHYDWJKXNS-UHFFFAOYSA-N 438.984 5.938 30 10 IKEE COc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C(C)C)c(OC)c1 2331705606 NAWNIZQVMSYZQZ-UHFFFAOYSA-N 446.576 5.746 30 10 IKEE CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339597197 PEOIDQOZOYWGHY-MJGOQNOKSA-N 446.397 5.044 30 10 IKEE CC(=O)Oc1ccc(-c2ccc(/C=N/CC34CC5(C)CC(C)(CC(C)(C5)C3)C4)cc2)cc1 4750935 NBLYMHQBUHWIDW-VVEOGCPPSA-N 429.604 7.085 30 10 IKEE CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1 9779444 FQFPHGIEPQTZQF-RBISFHTESA-N 436.555 6.243 30 10 IKEE CSc1nc2n(n1)[C@@H](c1ccc(OCc3ccccc3)cc1)C1=C(CC(C)(C)CC1=O)N2 19645033 FJVDZMSTTGHWKK-QFIPXVFZSA-N 446.576 5.237 30 10 IKEE Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC(C)C)cc2)C3)o1 20883635 BOUDWWICOHOTDM-XHCCPWGMSA-N 428.532 6.355 30 10 IKEE Cc1cc(C)cc(N/C(=N\C(=O)c2ccc(Cl)cc2)NCCc2c[nH]c3ccccc23)c1 32943038 ZVCMTAZOXAZFGL-UHFFFAOYSA-N 444.966 5.879 30 10 IKEE CCCn1cc(CN/C(=N/C(=O)c2ccc(C)c(C)c2)Nc2cccc(SC)c2)c(C)n1 32972998 WNXKXOZGDWTFNZ-UHFFFAOYSA-N 449.624 5.338 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2Cl)Oc2cc(OCc3c(F)cccc3Cl)ccc21 38320993 BDRWBPGKLYNOJE-WNFQYIGGSA-N 449.692 6.981 30 10 IKEE Cc1ccc(COc2cccc(/C=C3\S/C(=N/c4cccnc4Cl)N(C)C3=O)c2)cc1 39863721 KRTRUILYMWROQJ-WSUVFPRVSA-N 449.963 5.856 30 10 IKEE COc1cccc(/C(C)=C2\S/C(=N/c3cccnc3Cl)N(C3CCCCC3)C2=O)c1 39864170 FAEBGUVFHLFZEA-PKPRBZMYSA-N 441.984 6.070 30 10 IKEE C=CCc1ccc(OCCCn2c([C@H](O)c3ccccc3)nc3ccccc32)c(OC)c1 40224338 RUZGQARFXQCLTP-AREMUKBSSA-N 428.532 5.324 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCC(=O)OCc4ccccc4)cc(C)c3C2=O)cc1 41432606 BQZBWFMEIBEYGS-OYKKKHCWSA-N 444.483 5.132 30 10 IKEE COc1cc(/C=C2\Oc3cc(OCc4ccc(C)cc4)cc(C)c3C2=O)cc(OC)c1OC 41433329 QFHJNLMBBADEKG-JJFYIABZSA-N 446.499 5.524 30 10 IKEE COc1ccc(/C(CSc2nc3ccccc3[nH]2)=N\Nc2ccc([N+](=O)[O-])cc2)cc1 59460513 UMJYMVMDKANPHK-QLYXXIJNSA-N 433.493 5.088 30 10 IKEE CC(C)c1cccc(NC(=O)C2CCN(c3c(C#N)cnc4ccc(Cl)cc34)CC2)c1 64473834 AJPLWUXNTMWJFH-UHFFFAOYSA-N 432.955 5.738 30 10 IKEE CCCCCCCCCCCCCCCCNCC(=O)Nc1ccc(OCCC)cc1 100055675 BXRFWVHOIMDHGN-UHFFFAOYSA-N 432.693 7.485 30 10 IKEE CC(C)CCOc1ccc(Br)cc1C(=O)N(CCC#N)CCc1ccccc1 100438076 ZWTDEKJBPOTNNJ-UHFFFAOYSA-N 443.385 5.473 30 10 IKEE CCCCCCCn1c(CCCCCNC(=O)c2cccc(Cl)c2)nc2ccccc21 102167700 ZNNULTGBHLQYDI-UHFFFAOYSA-N 440.031 6.803 30 10 IKEE CCCCCCCCCCCCN1C(=O)/C(=C\C2=Cc3ccccc3OC2)SC1=S 102840182 BFDPYDCFLVDGIG-PTGBLXJZSA-N 443.678 7.128 30 10 IKEE CCCCCCCCCCCCC(=O)CCCC(=O)N(C1CCCCC1)C1CCCCC1 105415551 AZGZIYOJEUJOSV-UHFFFAOYSA-N 447.748 8.531 30 10 IKEE CC(C)(C)C(=O)/C=C(NN=C(c1ccccc1)c1ccccc1)/C(O)=C\C(=O)C(C)(C)C 108712819 NFTNSKMJKCHGQV-QGFZOGOGSA-N 432.564 5.585 30 10 IKEE CCCCCCCCCCCCCCCCCCCCCCNC(=O)Cc1ccccc1 140472891 MJIPWYIXBOTFRC-UHFFFAOYSA-N 443.760 9.167 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2cccs2)cc1Cl 169986585 KCHPYCHHPUSOIU-IBGZPJMESA-N 444.339 6.146 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(OCC)cc2)=C(N(CC)c2ccccc2)C1=O 169993785 QNISZZIVWHILGL-UHFFFAOYSA-N 448.607 6.052 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc(Cl)cc1)c1ccc2c(c1)CCO2 170057605 UBNFGLMFPPKIQY-JOCHJYFZSA-N 449.865 5.197 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2CCc2ccc(F)cc2)o1 170102819 OZSBTJQCTNUIOS-HSZRJFAPSA-N 433.479 5.165 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2cccs2)c1 170156287 OGUKYOLFYLLITC-DEOSSOPVSA-N 439.536 6.301 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccs2)cc1 170161174 LEEWPSQEJZANPC-QFIPXVFZSA-N 444.512 5.190 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccs2)ccc1OC(C)C 170163281 QWHVRZPWHRZTNZ-JOCHJYFZSA-N 448.544 5.017 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccs2)ccc1Cl 170163760 FYJULVDEYCHGIQ-HXUWFJFHSA-N 445.968 5.711 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2cccnc2)cc1C 170187166 OAZKMNSQHCRFOP-RUZDIDTESA-N 434.495 5.635 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC)cc1 170216207 UYXCRDRRRSSULN-XDHUDOTRSA-N 449.547 5.177 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccccc2)c1 170224154 DUZCRAFJOABFMD-MZNJEOGPSA-N 425.484 5.101 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccccc2)cc1 170225537 JPHYBFRDKOJOPH-VWLOTQADSA-N 441.527 5.875 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@@H]1c1ccccc1 170225550 NYWNMXPIHWTUCC-XMMPIXPASA-N 427.500 5.403 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@@H]1c1ccc(C(C)C)cc1 170245140 OIMJYPGKTYMXBR-QFIPXVFZSA-N 441.955 5.850 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccc(O)c2)c1 170256718 ICDXCROFAQSPCI-QFIPXVFZSA-N 449.528 5.021 30 10 IKEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccco2)cc1 170279391 ONKVEVJLPUZKGI-XMMPIXPASA-N 438.483 5.282 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccc(C)o2)cc1 170302484 CHCSSNMXVOCWIZ-DEOSSOPVSA-N 445.515 5.777 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(C)o1 170304112 OPMKHBICROOCND-DEOSSOPVSA-N 443.499 5.258 30 10 IKEE CCOc1ccc2c(c1)O/C(=C/c1ccc(OC(=O)c3ccc(C)cc3)c(OC)c1)C2=O 210084528 LIBJRKMAGOLSLA-ZVHZXABRSA-N 430.456 5.238 30 10 IKEE CCCc1c(-c2cc(Br)ccc2I)sc(C#N)c1N 233398176 KXHTYXKGROTKQJ-UHFFFAOYSA-N 447.139 5.189 30 10 IKEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3c(-c4ccccc4)noc3C)c2)c1 252010197 RPLCMAJSORGUOI-UHFFFAOYSA-N 436.467 5.089 30 10 IKEE CCc1ccc(N=C2S/C(=C\c3ccc(OC)cc3)C(=O)N2c2ccc(CC)cc2)cc1 252627381 RTCHOQLYFPLBED-SBEYKLCGSA-N 442.584 6.629 30 10 IKEE O=[N+]([O-])c1cc(C=NN(Cc2ccccc2)c2ccccc2)ccc1Sc1ncccn1 254340610 BPNRHUGORVCAQP-UHFFFAOYSA-N 441.516 5.577 30 10 IKEE COc1ccccc1C=NNc1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 254347091 FOWJSPKAVTXHJL-UHFFFAOYSA-N 427.485 5.524 30 10 IKEE Cc1ccc(N2C(=O)/C(=C3/Sc4ccccc4N3C)SC2=Nc2ccccc2C)cc1 254872694 SPBFAUGXCXAEJD-VUQCETKJSA-N 443.597 6.482 30 10 IKEE N#C[C@@H](Nc1cccc(Br)c1)c1cc(Br)cc(Br)c1 394582062 UZFIGEFCRTYPMO-CQSZACIVSA-N 444.952 5.651 30 10 IKEE C=C(COCCC)[C@H](NCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 407073902 VDVJWOWBFQXWMF-SFHVURJKSA-N 427.383 5.430 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1cccc(OCC(C)C)c1 526817591 PEWPDAGIEDYJML-ROTLSHHCSA-N 446.979 5.842 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccc(F)cc2)c1 526819893 OKDWYXFDOFENPI-QRQIAZFYSA-N 444.579 5.994 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@@H](NC(=O)/C=C/c3ccc(C)cc3)C2)c1 586023886 WUEGUPQFKYAXMT-KVACCUTFSA-N 445.607 5.267 30 10 IKEE COc1ccc(C)cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)c1ccc(C(C)C)cc1 586243350 DOUKFWHBLSFYQD-UHFFFAOYSA-N 434.561 5.394 30 10 IKEE C[C@@H](C[C@H]1CCCCCN1C(=O)OC(C)(C)C)Nc1ccc(Br)c(C#N)c1 690216404 IQEJYFFTJPJOTE-MAUKXSAKSA-N 436.394 5.691 30 10 IKEE CC(C)(C)OC(=O)N(C1CC1)[C@H](C#N)c1cc(Br)c(Br)s1 698825129 UHNHJNGUTDFBPC-SNVBAGLBSA-N 436.169 5.237 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)C1(C#N)CCN(C(=O)OCc2ccccc2)CC1 829347891 PBYKALOAJIWWSP-UHFFFAOYSA-N 449.551 5.432 30 10 IKEE CN(C)c1ccc2c(c1)S/C(=C/C1=CC(=C3C(=O)c4ccccc4C3=O)CCC1)N2C 1082888837 DXHVINZQNLGCDG-OEAKJJBVSA-N 428.557 5.622 30 10 IKEE Cc1ccccc1CSc1n[nH]c(NN=Cc2ccc(OCc3ccccc3)cc2)n1 1083920922 CMVOKXVBIQDFME-UHFFFAOYSA-N 429.549 5.430 30 10 IKEE O=C1c2cccc3cccc(c23)C(=O)N1c1ccc(N=Cc2ccc(Cl)cc2Cl)cc1 1084120377 ANWVKBJHHHGCIP-UHFFFAOYSA-N 445.305 6.698 30 10 IKEE O=C1C(=NN(c2ccccc2)c2ccccc2)c2ccccc2N1Cc1ccc([N+](=O)[O-])cc1 1084298278 ZGLMRADIRZXLHE-UHFFFAOYSA-N 448.482 5.684 30 10 IKEE Cc1cccc(NN=C(C(=O)Nc2nc(-c3ccccc3)cs2)C(=O)c2ccccc2)c1 1084494345 UGZXSFLNWPFLLE-UHFFFAOYSA-N 440.528 5.408 30 10 IKEE CC(=O)O/N=C(\C)[C@]12C[C@@H]1C[C@@H]1[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@@]4(C)[C@H]3CC[C@]12C 1565534844 GGQIDQJAIYDGEX-DFHPBHJGSA-N 427.585 5.436 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC1=Nc1cccnc1 1772731364 LFQAGZIDJYELTJ-NEAWXCLQSA-N 449.963 5.938 30 10 IKEE CN(C)c1ccc(/C=C2\SC(=Nc3ccncc3Cl)N(c3ccccc3)C2=O)cc1 1772737110 NKSYNFMSCQOAJI-RNJGGXIZSA-N 434.952 5.610 30 10 IKEE CN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)SC1=Nc1nccs1 1772737251 OCGNTOJWHUNHPN-WEHZRUJJSA-N 441.965 5.609 30 10 IKEE O=C(Nc1ccc(-c2csc(NN=Cc3c[nH]c4ccccc34)n2)cc1)c1ccccc1 1772743354 MNQXUQUMEDCDPU-UHFFFAOYSA-N 437.528 5.990 30 10 IKEE COc1ccc(C(=O)C[C@@H]2SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1 1772760071 ONBUMALGHNFBDT-DEOSSOPVSA-N 444.556 5.721 30 10 IKEE CCCCCCn1c2ccccc2c2nnc(NN=Cc3ccc(Br)o3)nc21 1772765096 SDUDFTXSOSJDQG-UHFFFAOYSA-N 441.333 5.361 30 10 IKEE C[C@@H]1CCc2c(sc(NC(=O)COc3cccc(NC(=O)c4ccccc4)c3)c2C#N)C1 1860090829 VXOXFBHQYAHRBL-MRXNPFEDSA-N 445.544 5.014 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)c1ccc(Br)cc1 1861339014 BUEXTRDFQHLPAY-QFIPXVFZSA-N 439.438 5.605 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1cccc(Cl)c1 1862381194 UJVMQKDIEWIHSR-GOSISDBHSA-N 438.738 5.881 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C2CC2)cc1 1862386536 PCYLIGDWNOSHAW-FQEVSTJZSA-N 446.330 5.523 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C(C)C)cc1 1862422912 QAUSCAGCCKKBMT-JOCHJYFZSA-N 443.490 5.521 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccccc1F 1862431067 YYNZYWICWAUYNP-OAQYLSRUSA-N 445.918 5.264 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCC(C)C)c1 1862434331 WYOVPWOKLIOQDL-OAQYLSRUSA-N 427.928 5.363 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1c(F)cccc1Cl 1862459412 AEWQTXJANPQHPQ-GOSISDBHSA-N 441.808 5.131 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(F)cc2F)cc1 1862476950 GUMHUKUWRQKUCA-DEOSSOPVSA-N 447.481 5.403 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc(CC)cc2)cc1 1862517363 LNEVTDQQAFKCDB-XMMPIXPASA-N 435.564 5.662 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccccc1F 1862530872 ZUHYKQVLXVXUOK-DEOSSOPVSA-N 437.555 6.327 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cccc(Cl)c1 1862548021 IOCQOTONPSJOJU-QHCPKHFHSA-N 437.967 5.843 30 10 IKEE CCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccccc1C 1862554761 KICSDJBKACOXEA-VWLOTQADSA-N 448.607 6.296 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(C(C)(C)C)cc1 1862585517 YFYSTHNSJZYADV-HXUWFJFHSA-N 446.374 6.278 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(Cl)cc1 1862616386 CHBODOWHMZQGIP-NRFANRHFSA-N 441.955 5.252 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862620468 SJUUTDGVAIUQBS-DEOSSOPVSA-N 447.619 6.660 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(F)cc1F)c1cccc2ccccc12 1862651826 XPWXTXSXOJRKCP-HSZRJFAPSA-N 433.454 5.639 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccccc1Cl)c1ccc(F)cc1 1862675880 VUEMPVWGZNMBST-NRFANRHFSA-N 427.903 5.780 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2c(Cl)cccc2Cl)c1 1862705641 CVGHPKWNHSNURJ-HXUWFJFHSA-N 446.330 5.523 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccc(O)c1 1862722606 VHXUXRRPBFKUEA-DEOSSOPVSA-N 427.500 5.438 30 10 IKEE N#Cc1ccccc1NC1=C(c2ccc(Cl)c(Cl)c2)C(=O)N(C2CCCCC2)C1=O 1863288124 RNJRQLQNVIDHNU-UHFFFAOYSA-N 440.330 5.390 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC2CC2)=C(c2ccc(OCCC)cc2)C1=O 1863683565 UGQGYRUFQQCFQQ-UHFFFAOYSA-N 426.601 5.448 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC(N3CCCCC3)CC2)nc(-c2ccc(C)cc2)n1 1867965783 LREVYUPYJYIJIU-UHFFFAOYSA-N 431.628 5.085 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)c2c(F)cccc2Cl)n(-c2cccc(Cl)c2)n1 1870002548 OLDCRKKXWIXKSU-UHFFFAOYSA-N 446.313 5.144 30 10 IKEE CCCCCCCCn1cc(OCCOc2cccc(C)c2)c(=O)cc1CSCC 1870218214 SDNCEZHQAHHRJE-UHFFFAOYSA-N 431.642 6.228 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2)c(=O)cc1CSc1ccccc1 1870271712 WNQXOYZRCSJMCJ-UHFFFAOYSA-N 435.633 7.080 30 10 IKEE C=CCOc1cn(CCCCN(CC)CC)c(CN(CCCC)CCCCCC)cc1=O 1870386814 FMWDNKMREHIGOC-UHFFFAOYSA-N 447.708 5.718 30 10 IKEE CCCCCCCOc1cn(CCCN(CC)CC)c(CN2CCCCCC2)cc1=O 1870411905 QMBFBVQSKKDJKP-UHFFFAOYSA-N 433.681 5.305 30 10 IKEE CCCCCCCCCCn1cc(OCC2CCCCC2)c(=O)cc1CN(CC)CCO 1870485084 MGPNXTVEKULOGV-UHFFFAOYSA-N 448.692 5.762 30 10 IKEE C=CCOc1cn(CCCOC(C)C)c(CNc2ccc(Cc3ccccc3)cc2)cc1=O 1870813054 ULUQPKVNRZHPCZ-UHFFFAOYSA-N 446.591 5.431 30 10 IKEE CCCCCCCOc1cn(CCC(C)C)c(CNc2ccc(Cl)c(C)c2)cc1=O 1870833919 ZRXNRSPHRGYLAS-UHFFFAOYSA-N 433.036 6.818 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2F)c(CNc2cccc(C)c2)cc1=O 1870838723 QSAOEBFSBKAXKS-UHFFFAOYSA-N 436.571 6.305 30 10 IKEE C#CCOc1cn(Cc2ccc(Cl)cc2)c(CNc2ccc(Cl)c(C)c2)cc1=O 1871010642 MYFPQHCDYSBVHU-UHFFFAOYSA-N 427.331 5.136 30 10 IKEE C=CCn1cc(OCc2c(Cl)cccc2Cl)c(=O)cc1CNc1cccc(OC)c1 1871049420 FYTBOCHSZWTBFS-UHFFFAOYSA-N 445.346 5.541 30 10 IKEE CCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1cc(Cl)cc(Cl)c1 1871251725 SVNJIQWFDKKMBI-UHFFFAOYSA-N 442.346 5.628 30 10 IKEE CCCCC[C@H](CC)N1COc2cc(C)c3c(c2C1)O/C(=C\c1ccccc1Cl)C3=O 1871347459 ACMWPCPRTSZINE-CSMVZQPBSA-N 439.983 6.775 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O3)CN(C1CCCCCC1)CO2 1871352094 PFIGBFIZLWJWGQ-XKZIYDEJSA-N 434.492 5.394 30 10 IKEE Cc1cc(OC(=O)c2c(F)cccc2Cl)cc2c1C(=O)/C(=C/C=C/c1ccccc1)O2 1871375376 IJQRDGRIFOJDLE-CDVYDLBASA-N 434.850 6.179 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2OC)C3=O)cc1 1871388058 UYPYKOWGJLHIHK-IWIPYMOSSA-N 430.456 5.319 30 10 IKEE Cc1ccccc1OCCCCOc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O 1871405466 RYOFLEJBKFCNFS-XYGWBWBKSA-N 434.919 6.503 30 10 IKEE COc1ccc(CCOc2ccc3c(c2C)O/C(=C\c2ccc(OC)cc2OC)C3=O)cc1 1871448123 LRHLKCWWWNVYDQ-MYYYXRDXSA-N 446.499 5.259 30 10 IKEE Cc1ccc2oc(=O)cc(COc3ccc4c(c3C)O/C(=C\c3sccc3C)C4=O)c2c1 1871460734 BUVMAPZIDQFDPS-UUYOSTAYSA-N 444.508 5.975 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(CC)cc1)[C@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872098684 PBDMRMFZFYKRCD-DVECYGJZSA-N 442.625 5.096 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)S(=O)(=O)CCC 1872331306 BOUYLIXIDBBGMD-HSZRJFAPSA-N 436.662 5.659 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Cl)cc1C)[C@@H](C)CC)S(=O)(=O)CCCC 1872507231 KBRLFCHJLUHMKL-OXJNMPFZSA-N 429.026 5.010 30 10 IKEE CCc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccc(C(C)(C)C)cc3)n2)cc1 1872761136 GXYUTZRJKZQOOU-QHCPKHFHSA-N 446.616 6.705 30 10 IKEE CCc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1 1872761174 HUFYPQZOCRTYGC-SUMWQHHRSA-N 445.371 6.323 30 10 IKEE CCc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1 1872761437 NHYRWCPTBGFKFW-BULFRSBZSA-N 443.572 5.158 30 10 IKEE C=CCNC1=C(c2ccc(-c3ccccc3)cc2)C(=O)N(Cc2cccc(Cl)c2)C1=O 1873085812 ICUGSKIIZMJNBR-UHFFFAOYSA-N 428.919 5.063 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H](C)c2ccccc2)=C(c2c(C)cc(C)cc2C)C1=O 1873120481 OFLWZHHLIWJISC-QHCPKHFHSA-N 446.635 6.403 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(F)c(C)c2)C(=O)N(CCCCCC)C1=O 1873152498 GSDXYQBERQZCTI-UHFFFAOYSA-N 444.635 6.525 30 10 IKEE C=CCN1C(=O)C(Nc2cc(C)ccc2OCCC)=C(c2cccc3ccccc23)C1=O 1873184366 XCXJZZUWRHNZFZ-UHFFFAOYSA-N 426.516 5.315 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2)=C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O 1873350584 NNNPHMIUROSYGZ-UHFFFAOYSA-N 440.343 5.102 30 10 IKEE CCOc1cc(/C=N/Nc2ccc(Br)cc2)ccc1OCc1ccc(C)cc1 1873498931 RMMRBVMGINXMTQ-MFKUBSTISA-N 439.353 6.181 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1cccc(C)c1 1874204282 SORYWXKHOOUJTB-FSJBWODESA-N 435.380 5.857 30 10 IKEE CCCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccc(C)cc1 1874214164 ZFSMVSCDZJCCPX-LFVJCYFKSA-N 428.989 5.636 30 10 IKEE CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1cccc2ccccc12 1874215295 FIBVFONHZHBZEK-DHRITJCHSA-N 436.968 5.885 30 10 IKEE CCCSc1nnc(COc2ccccc2OCC)n1/N=C/c1ccc(C(C)C)cc1 1874243317 ZEJQOEXPHSRVRT-PCLIKHOPSA-N 438.597 5.764 30 10 IKEE Cc1cccc(CSc2nnc(CCCOc3cccc(C)c3)n2/N=C/c2ccco2)c1 1874246401 CCBPLOIBQKIHJE-YZSQISJMSA-N 446.576 5.674 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(COc3ccc(OC)cc3)nnc2SC)cc1 1874291007 ZJMREGSHNXCFKQ-LFVJCYFKSA-N 440.569 5.039 30 10 IKEE Cc1ccsc1/C=N/n1c(COc2c(C)cccc2C)nnc1SCc1ccccc1 1874299899 YHWHVMRTACLWHS-AFUMVMLFSA-N 448.617 6.018 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2ccccc2)n1/N=C/c1ccccc1F 1874300741 QDLRDVVPYNYLCU-JFLMPSFJSA-N 446.551 5.788 30 10 IKEE C=CCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874343062 XHLYBVCLVFMGCN-FSJBWODESA-N 437.783 5.989 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3Cl)n2/N=C/c2ccccc2)cc1 1874389993 PETZHRPXKXBJGA-WGOQTCKBSA-N 432.980 6.005 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(Cc2cccs2)n1/N=C/c1ccco1 1874413891 QQIRFKPNMXJLHG-SSDVNMTOSA-N 449.388 6.005 30 10 IKEE Cc1ccsc1/C=N/n1c(Cc2cccs2)nnc1SCc1ccc(Cl)cc1 1874413944 TXLITDOUVSHRIM-WSDLNYQXSA-N 445.038 6.128 30 10 IKEE CCOc1cc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccccc2C)ccc1O 1874437083 JSKAYWVZNOMBBU-MFKUBSTISA-N 438.597 5.454 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2ccccc2C)c1 1874452389 SUNOYGCXZMGBCV-CVKSISIWSA-N 447.608 5.474 30 10 IKEE CCCCc1nnc(SCC(=O)OCC(C)C)n1/N=C/c1c(Cl)cccc1Cl 1874479566 HBGHVUCQSNZTRJ-LSHDLFTRSA-N 443.400 5.101 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccccc1O 1874485737 KLUFAHFRQVNFFG-FOKLQQMPSA-N 435.380 5.763 30 10 IKEE CC(C)c1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc(Cl)c(Cl)c1 1874513806 QLJXJJYZOKAHHE-AUEPDCJTSA-N 439.799 6.536 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C)n2/N=C/c2ccc(Cl)c(Cl)c2)c1C 1874528500 NEGRIXSOQJUHKJ-AUEPDCJTSA-N 448.379 5.123 30 10 IKEE CC(C)Cc1nnc(S)n1/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 1874559365 MWXRLOCDNXKYSS-FOKLQQMPSA-N 435.380 5.533 30 10 IKEE Sc1nnc([C@@H]2CCCO2)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 1874559983 AKDDNPCYUNACIZ-RIDKEVFESA-N 449.363 5.186 30 10 IKEE O=C(/C=C/c1ccccc1OCc1ccc(Cl)cc1)c1cccc(Br)c1 1874575771 GCDRXHUKLMYQPZ-JLHYYAGUSA-N 427.725 6.578 30 10 IKEE CCc1ccc(NC(=O)COc2c(/C=C/C(=O)c3ccccc3)cc(Cl)cc2OC)cc1 1874578226 CBXUBMUNTUQHJI-SDNWHVSQSA-N 449.934 5.825 30 10 IKEE CC(C)COC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccc2c(c1)OCO2 1874582720 DARIYHOLYCETMY-MDZDMXLPSA-N 432.472 5.043 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)c(C)c1 1874590020 ONBNZDJVDAABQD-BUHFOSPRSA-N 440.970 7.894 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(Cl)c1OCC(=O)N(CC)CC 1874605143 RHDHZSMDBGFEPC-SDNWHVSQSA-N 443.971 5.444 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(Cl)c(OCc2cccc(F)c2)c(OC)c1 1874620329 UETDOILATWWVEK-CMDGGOBGSA-N 440.898 6.280 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OCC(=O)Nc1cccc(C)c1C 1874633079 LBZUHEWKLPEOOX-JLHYYAGUSA-N 443.543 5.842 30 10 IKEE CCCOc1c(Cl)cc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1OCC 1874637219 OBMGGNRLVAZAOJ-VOTSOKGWSA-N 443.754 6.739 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cccc(Oc4ccccc4)c3)c2)cc1 1874701600 ARWNHTWMDHUOQG-OBGWFSINSA-N 434.491 6.903 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)c2)c(C)c1 1874702501 UNJHPYHBOBOYDD-JLOHOZFJSA-N 442.555 6.696 30 10 IKEE COc1ccc(CC(=O)Oc2cc(/C=C/C(=O)c3cc(C)ccc3C)ccc2OC)cc1 1874703461 QQRMLPHZEKHLJD-UKTHLTGXSA-N 430.500 5.365 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OC(=O)CCOc1ccccc1 1874708233 SWUDOOSSTZWUMK-OQLLNIDSSA-N 444.527 6.089 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cccc(OC(=O)Cc2ccc(Cl)cc2)c1 1874713409 VAAKTDITGJTYHK-FMIVXFBMSA-N 434.919 6.010 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1OC(=O)Cc1ccccc1 1874715783 LSHHPHZUVIFWCZ-NTCAYCPXSA-N 442.555 6.345 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3OC)c(OC)c2)cc1C 1875108914 MHWYKGAFUKEGFX-FMIVXFBMSA-N 446.499 5.065 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1OCC 1875111024 PPGRUKIKUUQEJE-NTUHNPAUSA-N 431.326 5.840 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)c1ccccn1 1875125063 OXVWWKKDIGMRFP-RMKNXTFCSA-N 443.833 5.527 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 1875126074 OOBYYVBXYOUHST-QDEBKDIKSA-N 439.826 5.432 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c([N+](=O)[O-])c2)cc1 1875135992 ROLTYOSZYUCJEY-VZUCSPMQSA-N 446.415 5.235 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)c1ccccc1 1875142751 RZNPPONNVNRLGB-SDNWHVSQSA-N 430.475 5.987 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1C 1875148793 NAUYCDRYHXUQMN-RQZCQDPDSA-N 442.555 6.481 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1OC(=O)CC(C)C 1875169459 RLSIHVLMIHPVNX-MDZDMXLPSA-N 442.983 6.820 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)C(C)(C)C)c(Br)c1 1875170602 GXIZWWBQWYTQDR-VQHVLOKHSA-N 445.353 5.922 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)c1ccccn1 1875183217 PMRDOHBWMRFKNQ-MDZDMXLPSA-N 449.934 6.174 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1[N+](=O)[O-])c1ccccc1 1875189279 HYESYCAXAGVYAW-UXBLZVDNSA-N 442.254 6.017 30 10 IKEE C[C@@H]1C[C@@](C#N)([C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCO1 1875634726 SOTZLHSALVAUDO-FQNJNTOFSA-N 443.543 5.587 30 10 IKEE N#Cc1ccc(OC2CCN(C(=O)[C@@H](Sc3ccccc3)c3ccccc3)CC2)cc1 1892322789 QBSMUTVJSZPTNB-VWLOTQADSA-N 428.557 5.462 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@](C)(C#N)[C@]1(C)CCN1C(=O)OC(C)(C)C 1999896366 ICDDZJJKMXYCKC-XZOQPEGZSA-N 433.524 5.249 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)C1(C#N)CC(CCNC(=O)OC(C)(C)C)C1 2007655111 BGRBYNKZTAYHNJ-UHFFFAOYSA-N 429.561 5.324 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC[C@@]2(C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)C1 2032045388 RXJZOVQZYBAOLS-SRGWNRLKSA-N 445.535 5.106 30 10 IKEE CCCCCCCCC[C@@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)NCC 2035456298 HQHPDBIYJWTAHZ-VWLOTQADSA-N 447.708 6.132 30 10 IKEE Cc1nn2c3ccccc3n(C)c2c1C(=O)C=Cc1ccc(-c2nc3ccccc3s2)o1 2040487537 DTOKKZMWUMFVAG-UHFFFAOYSA-N 438.512 5.900 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](O)Cc1ccc(Cl)c(Br)c1F 2047991174 ULKJNOAJKKWBMD-UONOGXRCSA-N 436.749 5.005 30 10 IKEE CN(C(=O)OC(C)(C)C)C1CCC(C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)CC1 2048957660 XKEBJMJSQBAZGQ-UHFFFAOYSA-N 447.551 5.639 30 10 IKEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](N(CCCNC(=O)OC(C)(C)C)Cc2ccccc2)C1 2054253580 QVTJJYWTSRFIPM-VXNXHJTFSA-N 441.660 6.148 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C(C)(C)C1 2065979906 UDKFNFYEFJIIJP-XMMPIXPASA-N 447.551 5.497 30 10 IKEE Fc1cccc(C(F)(F)F)c1Cn1nc(Cl)c(Br)c1C(F)(F)F 2079213792 OWALEJGSFSWCKU-UHFFFAOYSA-N 425.529 5.524 30 10 IKEE C=CCCCCCC[C@@H](NC)c1ccc(I)c(Br)c1 2141922884 JWZVVBWVZDFBGW-MRXNPFEDSA-N 436.175 5.841 30 10 IKEE CC(C)C[C@@H]1CNCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2149840313 DGJBJDQYCYUZDP-IIBYNOLFSA-N 436.394 5.109 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]2CC[C@@]21CNc1ccc(C#N)c(Br)c1F 2162326457 HJMWWXWTGRFGOG-VBKZILBWSA-N 438.341 5.051 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(Nc2ccc(Br)cc2)C[C@H]1C1CCC1 2194185131 DHWFVZKWUHTAJD-GHTZIAJQSA-N 434.378 5.323 30 10 IKEE C=CC1(C[C@@H](NCCC)c2ccc(Br)cc2I)CCC1 2207271781 LFOBLQDRPMEZEB-MRXNPFEDSA-N 448.186 5.841 30 10 IKEE C=CCCCCCCCCNc1ccc(Cl)c(I)c1Cl 2207438924 SZODDTQFEAPGHX-UHFFFAOYSA-N 426.169 6.927 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCCC)c2sc(C)c(Br)c2C)C1 2226137747 UPHGGYZOYUFUAG-QGZVFWFLSA-N 443.451 5.782 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Cl)cc(Cl)c1Cl 2235574438 FWWZVNGRRIPYHW-FUHWJXTLSA-N 433.807 5.994 30 10 IKEE CN[C@@H](C#Cc1ccccc1Br)CCC1(NC(=O)OC(C)(C)C)CCCC1 2235724388 MFTSYSWVMYFDPD-SFHVURJKSA-N 435.406 5.006 30 10 IKEE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccc(CC#N)c1 2243905895 UGKXXUAKEWMQDX-UHFFFAOYSA-N 439.515 5.008 30 10 IKEE C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)C1CC(B2OC(C)(C)C(C)(C)O2)C1 2247933301 UBQKXUITERWHFE-KKXNLOMOSA-N 425.403 5.710 30 10 IKEE CCCN[C@H](C#CC1CCCC1)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2251418805 ZKDMIRZQBQTNFD-TUACAJSNSA-N 428.617 5.047 30 10 IKEE CC#CCCCC[C@@H](NCCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2256693472 DRLDSOFHOFBIBX-XMMPIXPASA-N 442.644 5.392 30 10 IKEE C=C(CC)C[C@@H](NCCC)[C@](C)(O)c1cc(Br)c(Br)s1 2281291398 IDKMPCAUALSMJK-DOMZBBRYSA-N 425.230 5.205 30 10 IKEE Cc1ccc(N=C2SC(=C3Sc4ccccc4N3C)C(=O)N2c2ccc(F)cc2)cc1 2295195981 FXWQUBPOHIDIGV-UHFFFAOYSA-N 447.560 6.313 30 10 IKEE CCCOc1ccc(C(O)=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(Cl)cc2)cc1 2296079844 YNCMWBGODJXPGF-JOCHJYFZSA-N 448.906 5.150 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)C[C@@H](CCC)NC(=O)OC(C)(C)C 2296310473 KEZNEXNIXKFTLZ-WOJBJXKFSA-N 437.422 5.252 30 10 IKEE Cc1cc(C)cc(CSc2nnc(CCc3ccccc3)n2N=Cc2cccnc2)c1 2318574152 FPFLBEABESSEOK-UHFFFAOYSA-N 427.577 5.250 30 10 IKEE COc1ccc(CN2COc3c(cc4c(c3C)OC(=CC=Cc3ccccc3)C4=O)C2)cc1 2322305410 OPTIGCFANFZJHX-UHFFFAOYSA-N 439.511 5.528 30 10 IKEE CCc1ccc([C@@H](C)N2COc3c(cc4c(c3C)OC(=Cc3ccc(C)o3)C4=O)C2)cc1 2322456897 LYGXBIZHSHDESA-GOSISDBHSA-N 429.516 5.988 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cc(Br)ccc2OCc2ccc(F)cc2)c1 2322615768 XBSHNSMECUYSSA-UHFFFAOYSA-N 439.324 6.680 30 10 IKEE C=C(C)COc1ccc2ccccc2c1C=CC(=O)c1ccc(OCCCCCCC)cc1 2322760040 PQFZHCIYESHVGU-UHFFFAOYSA-N 442.599 8.040 30 10 IKEE CCCOC(=O)COc1ccc(Cl)cc1C=CC(=O)c1cc(OCC)ccc1OCC 2322860621 OPPZRLOUVDDYGT-UHFFFAOYSA-N 446.927 5.366 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1c(OCCc2ccccc2)ccc2ccccc12 2322953100 BBNDSZLFAVUXDU-UHFFFAOYSA-N 448.606 7.963 30 10 IKEE CCc1ccc(NC(=O)COc2cccc(C=CC(=O)c3ccc4c(c3)CCCC4)c2)cc1 2323057620 QXHGWLIHLQQIJK-UHFFFAOYSA-N 439.555 6.041 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1OCc1c(Cl)cccc1Cl 2323126399 KSANJMNNYXQELD-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OCC(=O)Nc1cc(C)cc(C)c1 2323168876 KGCOZDRABOBFTL-UHFFFAOYSA-N 447.506 5.673 30 10 IKEE Cc1cc(C(=O)Oc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)ccc1[N+](=O)[O-] 2323279425 GEZAWJBUAZNAFV-UHFFFAOYSA-N 427.412 5.295 30 10 IKEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1F 2323363097 FUYDZWQQIWKMNJ-UHFFFAOYSA-N 441.842 5.871 30 10 IKEE Cc1cc(OC(=O)Cc2cccc3ccccc23)cc2c1C(=O)C(=Cc1ccc(F)cc1)O2 2323399921 KWOJYENEGZHWJI-UHFFFAOYSA-N 438.454 6.052 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OCc3ccc(F)cc3)c(Br)c2)c1 2323489753 GTTQMFNTKNNWQV-UHFFFAOYSA-N 441.296 6.072 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)C=Cc4cccs4)ccc3C2=O)cc1OC 2323517548 BBMPAXUEPWRNTC-UHFFFAOYSA-N 434.469 5.000 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc(Cl)c2)cc1)c1cccc(Br)c1 2323651947 XRFVLCQXGOEURA-UHFFFAOYSA-N 427.725 6.578 30 10 IKEE COc1ccc(Br)cc1C=C1Oc2c(ccc(OC(=O)C=C(C)C)c2C)C1=O 2323719847 JWUDVLZBMLRBOI-UHFFFAOYSA-N 443.293 5.254 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)NCc3ccccc3)c(Cl)c2)cc1 2323831373 BKCJEWZBAUGUOD-UHFFFAOYSA-N 449.934 5.330 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cccc(C)c3C)c([N+](=O)[O-])c2)cc1 2323900680 AAVKBEYHECOBED-UHFFFAOYSA-N 444.487 5.434 30 10 IKEE CCCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C)o2)C3=O)cc1 2323934847 GQKWMBJVKAIUFQ-UHFFFAOYSA-N 432.428 5.129 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(F)c2)ccc1OCc1cccc(Cl)c1 2324120453 YWECKNPGCXXDRK-UHFFFAOYSA-N 440.898 6.362 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OCc1cccc2ccccc12 2324261441 LEGRWIIICSKOGF-UHFFFAOYSA-N 430.450 6.602 30 10 IKEE CCOC(=O)c1ccc(COc2ccc3c(c2)OC(=Cc2c(F)cccc2Cl)C3=O)o1 2325394856 ZYGCXQWKPKBBFW-UHFFFAOYSA-N 442.826 5.444 30 10 IKEE Cc1cccc(C=Nn2c(CCc3ccccc3)nnc2SCc2cccc(F)c2)c1 2325442031 ZBSXZVLEZJHOEZ-UHFFFAOYSA-N 430.552 5.685 30 10 IKEE CCc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2F)cc1 2325481544 IZJNONQNRWPNHX-UHFFFAOYSA-N 430.552 5.745 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cccc(OCCC)c1 2325532494 IVLHQQWIEYCXBF-UHFFFAOYSA-N 443.016 6.237 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(OC)c(O)c1 2325532537 WATKLZAKDDZPAV-UHFFFAOYSA-N 430.961 5.163 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(N(CC)CC)cc1 2325554526 KKEPFSBORUSKRH-UHFFFAOYSA-N 425.577 5.390 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(OC(=O)CC)c(OC)cc2Br)cc1 2325711133 JYVOFPXQTOUFKL-UHFFFAOYSA-N 445.353 6.012 30 10 IKEE O=C(C=Cc1cccc(OC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)c1)c1ccccc1Cl 2325718013 LKCDMQORAVRLCO-NHCUHLMSSA-N 437.322 6.599 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OC(=O)c1c(F)cccc1Cl 2325740001 QQHUZIWFCSJFIY-UHFFFAOYSA-N 438.882 6.220 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)c2ccc(N(C)C)cc2)c1 2325764034 COMVVOVAAQYHTD-UHFFFAOYSA-N 449.934 5.838 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)c(Br)c1O 2325789014 IWUGDHUXXFIERY-UHFFFAOYSA-N 425.278 5.852 30 10 IKEE Cc1ccc(CSc2nncn2N=Cc2ccc(OCc3ccccc3)cc2)c(C)c1 2326432684 XVWFMCVYVBSUPT-UHFFFAOYSA-N 428.561 5.648 30 10 IKEE CCOc1ccccc1OCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccc[nH]1 2326809947 FMRZZWMEDGFOHT-UHFFFAOYSA-N 447.564 5.067 30 10 IKEE CCCc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2ccco2)cc1 2327365961 PBEBISOBUHTCCK-UHFFFAOYSA-N 432.549 5.577 30 10 IKEE CCCOc1ccccc1C=Nn1c(CCc2ccccc2Cl)nnc1SCCC 2327976898 IGVCCAABMUXKES-UHFFFAOYSA-N 443.016 5.890 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2F)n1N=Cc1cccnc1 2329486891 OTCIJFXOEJKAGY-UHFFFAOYSA-N 431.540 5.080 30 10 IKEE CC(C)c1ccc(C=CC(=O)Nc2cc(NC(=O)c3cccc(C#N)c3)ccc2Cl)cc1 2329854547 HCAXWDPRGIBARU-UHFFFAOYSA-N 443.934 6.239 30 10 IKEE Fc1cccc(CSc2nnc(-c3cccs3)n2N=Cc2ccc(Cl)cc2)c1 2330556773 JFDDWCLYODVOTQ-UHFFFAOYSA-N 428.945 5.974 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)CC(C)(C)C)c(Br)c2)cc1 2330748030 RSSJDVCIPNXYHI-UHFFFAOYSA-N 429.354 6.249 30 10 IKEE Clc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2[C@@H]2CCCO2)cc1 2330990205 YMKDJRUTKQDOGR-SFHVURJKSA-N 433.364 5.611 30 10 IKEE CCSc1nnc(C(F)(F)F)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2331129594 NLPALUWVYZKOBM-UHFFFAOYSA-N 440.878 5.524 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OC(=O)c1ccc(F)c(F)c1 2331159602 RAGILDUVPQCVSZ-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE Cc1cccc(C=Nn2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2-c2ccco2)c1 2331183091 LMMKEFQCUORAMN-UHFFFAOYSA-N 445.548 5.076 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc4ccccc34)c(Cl)c2)cc1 2331265921 CZFYSIUAPGIQLG-UHFFFAOYSA-N 426.899 6.917 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)c3cc(Cl)ccc3Cl)cc2)c1 2331316080 PLCUDAYPMITKTI-UHFFFAOYSA-N 425.311 6.726 30 10 IKEE CCc1ccc(C(=O)Oc2c(OC)cc(C=CC(=O)c3cc(C)ccc3C)cc2OC)cc1 2331319283 AERAVWSJQPVWPA-UHFFFAOYSA-N 444.527 5.998 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2ccccc2Cl)nnc1C(C)(C)C 2331398121 JZHZZVYKHCHSRP-UHFFFAOYSA-N 441.000 5.968 30 10 IKEE CC(C)Cc1nnc(SCc2cccc3ccccc23)n1N=Cc1c[nH]c2ccccc12 2331464309 XJUURMXTDCMVRG-UHFFFAOYSA-N 439.588 6.286 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OC(=O)c1cccc(C)c1 2331480304 GGLYPKAZQXMGFD-UHFFFAOYSA-N 436.507 6.662 30 10 IKEE Fc1ccc(CSc2nnc(C3CCC3)n2N=Cc2cccc(Br)c2)cc1 2331493162 CZGUROCUMLCWKU-UHFFFAOYSA-N 445.361 5.622 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CC(C)(C)C)cc2)cc1 2331541750 NBJQYKGAFWZYSD-UHFFFAOYSA-N 436.592 7.274 30 10 IKEE C=C(C)CSc1nnc(COC)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2331573837 ZJZGSMOFMUOXLV-UHFFFAOYSA-N 442.972 5.207 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)C3CCCC3)c(Cl)c2)c1 2331674730 HEXKVSARSGXAAP-UHFFFAOYSA-N 442.939 6.129 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1C 2331705752 IRDWNPNTBXVRJR-UHFFFAOYSA-N 435.863 5.980 30 10 IKEE Cc1ccccc1CSc1nnc(C2CC2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2331726191 KUIPJKAFKPFHJC-UHFFFAOYSA-N 427.917 5.200 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)ccc1OC(=O)C1CCCC1 2331753168 CKHLSESGUFYMSP-UHFFFAOYSA-N 428.912 5.657 30 10 IKEE C=CCC(CC=C)[C@@H](NCC)c1ccc(Br)cc1I 2338737310 CBXYONLOZNSGGM-MRXNPFEDSA-N 434.159 5.473 30 10 IKEE CC1(C)OB(/C=C/c2ccc(NCC3(CCOCc4ccccc4)CC3)nc2)OC1(C)C 2339583457 WZQVTWMHPSKHTJ-FOWTUZBSSA-N 434.389 5.525 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@@H](C#N)c1c(Cl)ccc(Cl)c1Cl 2364578285 KAFWCLBZIPKNAI-HNNXBMFYSA-N 429.706 6.792 30 10 IKEE CO[C@@H](C#C[C@@H](O)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1)C1CCCC1 2369619059 QDCXZXLBFRKHQA-MOPGFXCFSA-N 438.362 5.038 30 10 IKEE COc1ccc(-c2nc3ccccc3o2)cc1/N=C/c1cc(Cc2ccccc2)ccc1O 1947837 LADAJKMWVDLHAE-RDRPBHBLSA-N 434.495 6.550 30 10 IKEE N#CCSc1nc2c(sc(=S)n2CCc2ccccc2)c(=O)n1C1CCCCC1 9775501 RWPSYRNHTNIVFO-UHFFFAOYSA-N 442.635 5.353 30 10 IKEE CCOc1ccc(/N=C2/SCCCN2C(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)cc1 13098614 HKSMESIJIHQPHN-QUNNOBFSSA-N 447.604 5.958 30 10 IKEE C=CCn1c(COc2ccc(Cl)cc2C)nnc1SCC(=O)Nc1ccccc1C 14088895 FCEBDODCBMEMIJ-UHFFFAOYSA-N 442.972 5.044 30 10 IKEE CC(C)Oc1ccc(C(=O)/C(=C\c2ccc(N(C)C)cc2)c2nc3ccccc3o2)cc1 33442574 WCHHTWZHBMKTHS-HAVVHWLPSA-N 426.516 6.105 30 10 IKEE C=CCN1C(=O)/C(=C(\C)c2ccc(O)cc2)S/C1=N/c1nc(-c2ccccc2)cs1 39865929 MLXKKBPYBXWEQA-UTYGHKOPSA-N 433.558 5.696 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)c4cc5ccccc5o4)ccc3C2=O)cc1 41352677 PIDLKRAZXDFFTN-QRVIBDJDSA-N 426.424 5.667 30 10 IKEE COc1cc(/C=C2\Oc3cc(OCc4cccc(F)c4)ccc3C2=O)cc(OC)c1OC 41509867 XYFZPXWVFQJJIR-FBHDLOMBSA-N 436.435 5.047 30 10 IKEE COc1ccc(/C=N\N=C2\S/C(=C\C=C\c3ccccc3)C(=O)N2Cc2ccco2)cc1 47137605 KUPJGBXNIUANKL-KBUXDNCRSA-N 443.528 5.351 30 10 IKEE CCCCCCC[C@@](O)(c1ccc(OCC)cc1)[C@@H](CN1CCCCC1)c1ccccc1 53246898 UDPZQYXIOHNEEG-URLMMPGGSA-N 437.668 6.903 30 10 IKEE Cc1cc(Br)ccc1/N=C/c1cc(C)n(-c2ccc(C(=O)O)c(Cl)c2)c1C 59248919 LTZONNWDXGFRDW-BHGWPJFGSA-N 445.744 6.267 30 10 IKEE CCOc1ccc(N/N=C2/C(=O)N(c3nc(-c4ccc(Cl)cc4)cs3)N=C2C)cc1 59461767 PJWOMJPHXVTDOK-NCELDCMTSA-N 439.928 5.053 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccccc2SCc2ccccc2)nnc1C(C)C 59910465 DYIOCFUANRDHQF-UHFFFAOYSA-N 438.622 5.611 30 10 IKEE Brc1ccc(/N=C2/N[C@H](Cc3ccccc3)CS2)c(Br)c1 63220516 DSORQJRVXQZQOF-CYBMUJFWSA-N 426.177 5.147 30 10 IKEE CCN1C(=O)C[C@@H](C(=O)Nc2cccc(C)c2)S/C1=N\c1cc(Cl)cc(Cl)c1 100195537 REPJPDFNBRXXOV-DJUDNFEDSA-N 436.364 5.282 30 10 IKEE CCCCCCCC[P@](=O)(CC(=O)N(CC(C)(C)C)CC(C)(C)C)c1ccccc1 100227978 JFIFPMVVOZHPQW-PMERELPUSA-N 435.633 6.956 30 10 IKEE CCCCCCCC[C@H](CCCCCCCCC(=O)OCC(C)C)OS(=O)(=O)O 100298687 FOULFUULGDLAOP-OAQYLSRUSA-N 436.655 6.245 30 10 IKEE C=CCNC(=O)c1ccccc1NC(=S)NC(=O)CCCCCCCCCCCCC 100443721 HERNCGMYULIYLN-UHFFFAOYSA-N 445.673 6.117 30 10 IKEE CCCCCCCCCCCCn1c(COc2ccc(Cl)cc2)nc2ccccc21 102184943 CFUWZPKVROVYIC-UHFFFAOYSA-N 427.032 8.190 30 10 IKEE COc1ccc2c(c1)N(C)/C(=C1\S/C(=N/c3ccccc3)N(c3ccccc3)C1=O)S2 107066430 LRTLXHFKGLXMSR-PSBCSISTSA-N 445.569 5.874 30 10 IKEE CC(=O)Oc1cc(O[C@H](C)CCCc2ccccc2)cc2c1C1=CC(=O)CC[C@@H]1[C@@H](C)N2 148579059 NYIHATUYGXLEST-PMAPCBKXSA-N 433.548 5.579 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\n2c(S)nnc2[C@@H]2CCCO2)cc1OC 169912777 XKGPUTOWMNGLRJ-HLILLCKBSA-N 446.617 5.439 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1c1ccc(C)cc1 169944711 ZEIPYTBMVBHDHP-SANMLTNESA-N 449.506 5.940 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1cccs1)c1cccc(Cl)c1 169988221 BJPQSZQLTTXMPJ-SFHVURJKSA-N 431.847 5.463 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2ccncc2)cc1C 170019036 DFDQQCAVUSSKMJ-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccccc2C)c1 170037409 OALQEFYYDZSEKC-XMMPIXPASA-N 427.500 5.485 30 10 IKEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccccc3)nc2c1 170056040 PJEPOTICQSJYBU-NRFANRHFSA-N 443.890 5.308 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@@H]1c1ccc(OC)cc1 170115869 QUPCEJLPYKADFB-NRFANRHFSA-N 443.927 5.126 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2c2ccccc2C)c1 170142954 KLWOMTGMJIMQIH-VWLOTQADSA-N 439.511 5.411 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2cccs2)c1C 170158810 GYZNULBAGMFGMP-DEOSSOPVSA-N 439.536 6.301 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccccn1)c1cccc2ccccc12 170168053 HBUCGLOOQWKVEY-QFIPXVFZSA-N 426.497 5.075 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccccc2)c1 170221421 APGOLWQJOPKNOR-VWLOTQADSA-N 435.479 5.631 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccccc2)c1 170228033 AJPXVMHPBIILOH-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@H]1c1ccccc1 170232920 VQFAENKJMWFKNN-OAQYLSRUSA-N 427.928 5.507 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccc(F)cc1)c1ccc2ccccc2c1 170238347 YCUQNOUUHRKCJE-DEOSSOPVSA-N 441.433 5.901 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2OC)[C@H]1c1ccc(CC)cc1 170268229 RDHHXRRLJMOJBP-HSZRJFAPSA-N 437.536 5.035 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccco2)cc1 170285217 CENABEBYZPSZDF-HSZRJFAPSA-N 447.487 5.248 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccco1 170286159 PWKGTDHLSWDHGJ-JOCHJYFZSA-N 431.488 5.369 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccco2)cc1C(C)C 170291947 DYMBPPBFPWPFKD-JOCHJYFZSA-N 435.476 5.173 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C)o2)ccc1Cl 170306955 QHFOBKYQHPRTIU-HXUWFJFHSA-N 441.867 5.012 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1CCOC(C)C 170313339 VZBMBQVQTCMLDC-NRFANRHFSA-N 435.545 5.213 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)[C@H]1C(=O)N(c2ccccc2)N=C1C 196021111 HEIJXJMIKNZPHN-MHZLTWQESA-N 440.672 7.856 30 10 IKEE CCSc1nnc(C(F)F)n1N=Cc1ccc(COc2ccc(Cl)c(Cl)c2)o1 254303284 RRIGFOISINUVTF-UHFFFAOYSA-N 447.294 5.689 30 10 IKEE COc1ccc(-c2ccc(C#N)c(SCC(=O)c3ccc4c(c3)-c3ccccc3C4)n2)cc1 261526722 HVZMIYYRTLZQRK-UHFFFAOYSA-N 448.547 6.175 30 10 IKEE C[C@@H](Nc1cc(C#N)c2cc(Cl)ccc2n1)c1ccc(NC(=O)c2ccncc2)cc1 301282924 PEJLMKHAHZUTIZ-OAHLLOKOSA-N 427.895 5.580 30 10 IKEE Cc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 526608964 QTIHJSJFJYVWNF-JOCHJYFZSA-N 445.862 5.486 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1cc(Cl)c(OC)c(OC)c1 526804272 LGXTUZHYTVNPBZ-CFRMEGHHSA-N 444.988 5.384 30 10 IKEE CC1(C)O[C@@H]2C(=O)C=C(COCC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H]2O1 642882963 ZHBFUVNCOHXMAI-KAYWLYCHSA-N 440.539 5.067 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@]1(C#N)CCc2c(Br)cccc21 698832129 PUYRAKAUIKTYGF-NRFANRHFSA-N 447.760 6.209 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@@H](CNC(=O)OC(C)(C)C)C1 724090163 PXAXLGVEKMPJCX-KBMIEXCESA-N 443.588 5.714 30 10 IKEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(CC)[C@@H](C)C1CCC1 1740847251 CCNCIQAKCNFSER-KRWDZBQOSA-N 434.588 5.211 30 10 IKEE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1C(=NNc1ccc(F)cc1)CCC2 1772748114 AFDSGEAYAMZTQA-UHFFFAOYSA-N 446.309 6.439 30 10 IKEE CCCCCCCCCCN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 1858586852 JKRHMZOQMBHRJS-OBGWFSINSA-N 440.472 6.791 30 10 IKEE CCOC(=O)c1sc(NC(=O)c2ccc(-c3ccc(F)cc3F)nc2C)c(C#N)c1C 1859757812 MTICQXXKLUOFSQ-UHFFFAOYSA-N 441.459 5.006 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)c1cccc(Br)c1 1861332971 KZOGYQFBVRYUQQ-LJQANCHMSA-N 425.411 5.214 30 10 IKEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)C(C)(C)Oc1ccc(Cl)cc1 1861461265 OOCGGVZZHCKBLP-UHFFFAOYSA-N 439.040 5.649 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2cccc(C)c2)cc1C 1862400290 ARGLSDFGNVQIDA-RUZDIDTESA-N 441.527 5.133 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc(Br)c1 1862488144 RQUKGVRYQQATIL-AUUYWEPGSA-N 428.326 5.134 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CC2)cc1OCC 1862499398 GMBPKZSTEQLDCV-DEOSSOPVSA-N 449.547 5.232 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2cccc3ccccc23)cc1 1862518124 CMJXQPFHKDQMPB-DEOSSOPVSA-N 427.500 5.369 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(Cl)cc1 1862557926 QVRRPRIKPRNTBG-OYHNWAKOSA-N 432.907 5.262 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(N(CC)CC)cc1 1862667834 LAYZYONMTIRDGI-CLOONOSVSA-N 448.607 6.033 30 10 IKEE O=C(C1=C(O)C(=O)N(C23CC4CC(CC(C4)C2)C3)[C@@H]1c1ccc(O)cc1)c1ccc(F)cc1 1862673324 CJLWYNUXIFTKOM-PHDLEGTPSA-N 447.506 5.078 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(C)cc2)cc1 1862674789 UBPYJCDUSVHIPG-BVZFJXPGSA-N 443.518 6.036 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862716484 HKBRQNDWHFTWEP-FQEVSTJZSA-N 425.406 5.457 30 10 IKEE N#Cc1cccc(NC2=C(c3ccccc3Cl)C(=O)N(c3ccccc3Cl)C2=O)c1 1863080073 VALCEPLFJIGOGM-UHFFFAOYSA-N 434.282 5.262 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2Sc2ccccc2)=C(c2ccccc2F)C1=O 1863297668 VWVMBGCNUBYVAY-UHFFFAOYSA-N 430.504 5.355 30 10 IKEE C=CCN1C(=O)C(Nc2cc(Cl)ccc2Cl)=C(c2cc(Cl)ccc2Cl)C1=O 1863389701 HTVOFGQOYFTIEJ-UHFFFAOYSA-N 442.129 5.678 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2F)C(=O)N(Cc2ccccc2F)C1=O 1863642925 DOMSJCMHVNDRFY-UHFFFAOYSA-N 426.507 5.195 30 10 IKEE N#Cc1cc(Br)c(NC(=O)c2cc(Cl)ccc2Cl)c(Br)c1 1866008234 LYAGHGBESCFKLK-UHFFFAOYSA-N 448.929 5.642 30 10 IKEE Cc1ccccc1-c1nc(Nc2ccc(C#N)cc2)cc(N2CC(C)(C)c3ccccc32)n1 1868311358 PLRKARRLJWTLEW-UHFFFAOYSA-N 431.543 6.497 30 10 IKEE CC(C)[C@@H]1c2ccccc2CCN1c1cc(Nc2ccccc2C#N)nc(C(C)(C)C)n1 1868350927 PWDQSCOUHDHSQH-RUZDIDTESA-N 425.580 6.149 30 10 IKEE N#Cc1nnn(Cc2cccc3ccccc23)c1NC(=O)C(c1ccccc1)c1ccccc1 1870105130 BFWJAVIPKXJXTI-UHFFFAOYSA-N 443.510 5.122 30 10 IKEE CCCCCCCCCCn1cc(OCCOC(C)C)c(=O)cc1CSC(C)(C)C 1870294599 PSPFMJPVTCXASB-UHFFFAOYSA-N 439.706 6.825 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2)c(CN(CCCC)CCCC)cc1=O 1870411007 PIXQPQIXOMLVSQ-UHFFFAOYSA-N 440.672 6.648 30 10 IKEE CCCCCCCCCCn1cc(OCCOc2cccc(C)c2)c(=O)cc1CN(C)C 1870772192 IZFVGZSBKFUOJL-UHFFFAOYSA-N 442.644 5.817 30 10 IKEE CCCCCCCCCCn1cc(OCCCC)c(=O)cc1CNc1cccc(Cl)c1 1871112862 XPLDULKASNXZQL-UHFFFAOYSA-N 447.063 7.433 30 10 IKEE C=CCn1cc(OCC(=O)OCCC)c(=O)cc1CNc1cc(C(C)C)cc(C(C)C)c1 1871232562 IHOPWFIUPHCJSE-UHFFFAOYSA-N 440.584 5.225 30 10 IKEE Cn1cc(/C=C2\Oc3c(ccc4c3CN(CCc3ccccc3)CO4)C2=O)c2ccccc21 1871344835 YTDDNYUQTROBFG-YSMPRRRNSA-N 436.511 5.189 30 10 IKEE C[C@H]1CCCC[C@@H]1N1COc2ccc3c(c2C1)O/C(=C\c1c(Cl)cccc1Cl)C3=O 1871350495 INXISPLBRNCVQG-FYGHONKPSA-N 444.358 6.340 30 10 IKEE COc1ccc([C@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2cccc(OC)c2)C4=O)cc1 1871354600 VEOUQCQVXQLKBU-MQKZQLNTSA-N 443.499 5.233 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc3C2=O)cc1 1871370920 HXHWFWGIFMAVCP-QRVIBDJDSA-N 429.428 5.554 30 10 IKEE CCCOc1ccccc1/C=C/C(=O)Oc1cc(C)c2c(c1)O/C(=C\c1ccccc1)C2=O 1871375925 KKWVIKHFXSZJKG-TYVQSJDYSA-N 440.495 6.019 30 10 IKEE Cc1cc(OC(=O)Cc2ccc(Cl)c(Cl)c2)cc2c1C(=O)/C(=C/c1ccncc1)O2 1871377045 ROLYAVGIQILJJU-JMIUGGIZSA-N 440.282 5.461 30 10 IKEE O=C(CCc1cccs1)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O 1871392015 LBVHODCOWJVWNQ-JMIUGGIZSA-N 445.323 6.209 30 10 IKEE Cc1c(Cl)cccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1cccs1)C2=O 1871427800 UDFFZGRZZKISAS-JAIQZWGSSA-N 439.920 5.652 30 10 IKEE CCCCCCCCCCN=c1nc(N(C)C)[nH]c(=Nc2cc(Cl)cc(Cl)c2)[nH]1 1871539886 IHAYEGPUJPBRQF-UHFFFAOYSA-N 439.435 5.384 30 10 IKEE COc1cccc(OC)c1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872762084 CQNLZVXYMSUZOY-CYBMUJFWSA-N 433.316 5.624 30 10 IKEE N#C[C@H](C(=O)C12CC3CC(CC(C3)C1)C2)c1nc(-c2cccc(Br)c2)cs1 1872763549 ORYCXIQTQOFHID-IYZRDUGGSA-N 441.394 5.965 30 10 IKEE Cc1cc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(F)cc3F)cs2)cc(C)c1Cl 1872767207 PGWIVGPXQULAOA-MRXNPFEDSA-N 432.879 5.614 30 10 IKEE Cc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1C 1872779527 LSEIEZRYMLQFSR-DEOSSOPVSA-N 438.552 6.638 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@@H](C#N)C(=O)/C=C/c2ccccc2Cl)n1 1872784015 NLZZKQCMWZYOCG-WAVCKPEOSA-N 443.355 6.324 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(C)c(C)c3)n2)c2ccccc12 1872788268 FLGOKQIJRDFACC-JOCHJYFZSA-N 442.540 5.844 30 10 IKEE CCCCN(CCC)CC(=O)[C@@H](C#N)c1nc(-c2ccc(Br)cc2)c(C)s1 1872800395 SXTKNLCNDOVKOK-GOSISDBHSA-N 448.430 5.569 30 10 IKEE CCCCCCCCCCNC1=C(c2cccc(Br)c2)C(=O)N(CCC)C1=O 1873053698 KKURZECUNXXRLV-UHFFFAOYSA-N 449.433 5.669 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCC)=C(c2ccccc2Br)C1=O 1873069964 BRJUEBUDAUOUDF-UHFFFAOYSA-N 435.406 5.279 30 10 IKEE CCCOc1c(OC)cc(/C=N/Nc2oc([C@H]3C[C@H]3c3ccccc3)nc2C#N)cc1OC 1873471341 ZNCQJXOFDULTPA-QHJJCADZSA-N 446.507 5.069 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C(C)(C)C)cc2)cc2c(NCCCOC(C)C)ncnc21 1873628655 MJGGBCWOSBMLNZ-UHFFFAOYSA-N 449.599 5.394 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1cccc(C)c1 1874202432 AZEVLBGBWCTOIU-JFLMPSFJSA-N 448.636 6.322 30 10 IKEE CCSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(Cl)cc1 1874204126 KQLYOAZXFQTZFV-LSHDLFTRSA-N 441.771 5.812 30 10 IKEE C=C(C)CSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1cccc(OC)c1 1874255239 QXQXODOHZRFRMS-DHRITJCHSA-N 436.581 5.341 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc[nH]1 1874297888 ZLRVRIMBNJKKQY-LGJNPRDNSA-N 435.528 5.116 30 10 IKEE Fc1ccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2c[nH]c3ccccc23)cc1 1874406471 PFZIVKXRIIHPKM-LQKURTRISA-N 447.583 6.196 30 10 IKEE Cc1ccccc1/C=N/n1c(CC2CCCCC2)nnc1SCc1ccccc1Cl 1874408193 KUDKAGYZPBKDAT-WGOQTCKBSA-N 439.028 6.537 30 10 IKEE C=CCSc1nnc([C@@H]2CCCO2)n1/N=C/c1ccc(OCc2ccccc2C)cc1 1874448763 LKRVONYDBLHPPW-LWROZRRASA-N 434.565 5.177 30 10 IKEE Fc1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2cccc3ccccc23)cc1 1874452783 MQQVJZCGCFHYJW-JVWAILMASA-N 430.552 6.403 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(SCc2ccc(F)cc2)nnc1C1CCCC1 1874452837 POOITGUZJPANKK-CVKSISIWSA-N 438.572 6.037 30 10 IKEE O=C(CSc1nnc(C2CC2)n1/N=C/c1ccc(Cl)cc1Cl)Nc1ccccc1 1874516980 OGLKXHCDPSNKGM-FOKLQQMPSA-N 446.363 5.075 30 10 IKEE O=[N+]([O-])c1cccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C2CC2)c1 1874523139 YGQLIJNXYWXGIS-LSHDLFTRSA-N 431.880 5.031 30 10 IKEE Cc1cccc(CSc2nnc(C)n2/N=C/c2ccc(OCc3ccccc3C)cc2)c1 1874530445 JQUWPPLVLDPWBA-JVWAILMASA-N 442.588 5.957 30 10 IKEE CCN(CC)C(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccc2ccccc2c1 1874571568 UUHBTYIJADKCBD-WUKNDPDISA-N 437.539 6.136 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2ccc(C)c(C)c2)cc1 1874575711 BZPCMAHIBZOEJE-RVDMUPIBSA-N 445.515 5.234 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cccc(OCc3ccc(Cl)cc3)c2)c1 1874599361 JHFBGFOGMVNTFD-GXDHUFHOSA-N 436.935 6.613 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)N[C@@H](C)c3ccccc3)c2)cc1Cl 1874600158 WXIDHJPWYNLURB-YLZCUGDYSA-N 449.934 5.501 30 10 IKEE CCCOC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccccc2Cl)cc1OCC 1874608853 KLGJSNCGKTUBLB-MDZDMXLPSA-N 437.319 5.620 30 10 IKEE CCOC(=O)c1ccc(COc2c(Cl)cc(/C=C/C(=O)c3ccccc3)cc2OC)o1 1874614350 MNORNGPVGJOGMB-PKNBQFBNSA-N 440.879 5.593 30 10 IKEE O=C(/C=C/c1ccc(OCc2c(F)cccc2Cl)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 1874625889 BPWUSSIPKIVEJF-XBXARRHUSA-N 447.796 6.141 30 10 IKEE Cc1ccc(COc2ccc(/C=C/C(=O)c3cc(C(C)(C)C)ccc3C)cc2Cl)cc1 1874635848 WUQDNYYMFIJVMR-SDNWHVSQSA-N 432.991 7.729 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCCC 1874659445 BUUBEWWQOPKHLQ-DEOSSOPVSA-N 427.633 5.642 30 10 IKEE C[C@@H](Oc1ccc(Cl)cc1)C(=O)Oc1cccc(/C=C/C(=O)c2ccccc2Cl)c1 1874696589 HHPPYZGFRJDRAG-SCZPIIQISA-N 441.310 6.262 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2cccc(Cl)c2)c1)c1cccc(Br)c1 1874698484 YXTMFSHZBGGJRX-ZHACJKMWSA-N 441.708 6.218 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC(=O)c2cccc(Cl)c2)c1 1874709663 MZMSPKRBIOJMJS-ACCUITESSA-N 448.946 6.761 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2OC)cc1 1875094702 FGOVWMROJPSULG-UKTHLTGXSA-N 431.444 5.281 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1 1875096739 CGLPKHDHJANOKK-RIYZIHGNSA-N 446.930 6.343 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)cc2)cc1 1875099837 BCLCSOSLUMRTSD-ZWNAOCHBSA-N 430.931 6.508 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3Cl)cc2)c1 1875104212 LRRNCOZAKCCWRR-KPKJPENVSA-N 439.338 6.654 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OC(=O)[C@@H](C)c1ccccc1 1875110621 TXVSFXPREHEOHF-DUVHGLKDSA-N 434.919 6.344 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)CCOc1ccccc1 1875133586 BTTFWJHWFUQWHL-SDNWHVSQSA-N 444.527 5.973 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2OC)cc(OC)c1OC(=O)c1ccco1 1875144012 BLBRBJSCKVZLTA-ZHACJKMWSA-N 432.472 5.449 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1Cl 1875155253 ABVMGNOBXGLRHS-RIYZIHGNSA-N 434.919 6.587 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1OC(=O)C1CCC1 1875169276 NIZTVTDWQCMHBE-ZHACJKMWSA-N 440.967 6.574 30 10 IKEE COc1cc(C(=O)/C=C/c2ccc(OC(=O)CC(C)C)c(Cl)c2)c(OC)cc1Cl 1875173223 DOKYYDLGOYYJQE-FNORWQNLSA-N 437.319 5.858 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3c(C)cccc3C)cc2)c(OC)c1 1875178762 AZLXNNLAYMAZPE-XNTDXEJSSA-N 446.499 5.201 30 10 IKEE CC#CC[C@@H](NCCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875661453 OBYSQLGPZRWXFP-GGXMVOPNSA-N 443.587 5.660 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](O)c1cc(Cl)cc(Br)c1 1922046979 NQPACXCOYXNBPO-LEWJYISDSA-N 438.793 5.277 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]12CCC[C@H]1CN(C(=O)OC(C)(C)C)C2 1922078487 XAEFGQLNURRYPX-FXSPECFOSA-N 428.617 5.165 30 10 IKEE CC1(C)C[C@H]([C@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C1 1945903299 XTVDNZVXKKMZLM-MSOLQXFVSA-N 449.617 5.413 30 10 IKEE CC1(C)C[C@@H]([C@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C1 1945903306 XTVDNZVXKKMZLM-ROUUACIJSA-N 449.617 5.413 30 10 IKEE C#Cc1ccccc1[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C(=O)O 1952221547 DWSXFMIIMDEMFP-VWLOTQADSA-N 439.511 5.359 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](CSC(C)C)NC(=O)OC(C)(C)C 1975720777 JBENJSHNSZLGIL-FGZHOGPDSA-N 436.662 5.163 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@](C)(C#N)[C@@]1(C)CCN1C(=O)OC(C)(C)C 1999898206 SLTVJYDUCLLWIG-DHIUTWEWSA-N 433.524 5.249 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CN(CCCB2OC(C)(C)C(C)(C)O2)C2(CCCCCC2)C1 2044524350 DLCUKZHPGNGTJD-IBGZPJMESA-N 436.446 5.161 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2046019662 PKJSPCOKTGOPMV-YFPXKRJOSA-N 445.535 5.153 30 10 IKEE C=CCC1(C(=O)Cc2cc(Cl)cc(Br)c2)CN(C(=O)OC(C)(C)C)C1 2047923184 YEJYVELCUWPNHK-UHFFFAOYSA-N 428.754 5.027 30 10 IKEE C=CCN(C[C@@H](Cc1ccc(Cl)c(Br)c1)NCC)C(=O)OC(C)(C)C 2047970365 JSBMQAUFMDXILB-OAHLLOKOSA-N 431.802 5.046 30 10 IKEE CC[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1OC 2067962086 FFVCUGFDYLCUHS-YADARESESA-N 445.560 5.118 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)CC[C@H]2C)c1 2076315340 BBWKRNZPPDZZTP-CLOONOSVSA-N 443.588 5.666 30 10 IKEE CC1([C@H](c2ccc(C3CC3)cc2)n2nc(C3CCC3)c(/C=N/O)c2Br)CC1 2079041739 YGFZVLOYIGQIKY-AFEQLLIESA-N 428.374 5.988 30 10 IKEE Cc1cc(O)c([C@H](n2nc(C(F)(F)F)c(C=NO)c2Br)C(C)(C)C)cc1C 2080035516 RTWFLENZOPXPNG-HNNXBMFYSA-N 448.283 5.430 30 10 IKEE N#Cc1c(C2CCCC2)nn(Cc2ccc(C(F)(F)F)c(Cl)c2)c1Br 2080294016 LYNKORLKUQYJBS-UHFFFAOYSA-N 432.671 5.895 30 10 IKEE CCCN[C@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)C1CCCC1 2086672936 SYQHLKHULWDOOF-MUUNZHRXSA-N 432.656 5.073 30 10 IKEE O=C(CC#CC1CCCCC1)c1cc(I)ccc1Br 2093442693 CDUQPQZCCRGWOR-UHFFFAOYSA-N 431.111 5.210 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Cl)c(Br)c1F 2097192060 ZEDCYPFUHJDVST-PBHICJAKSA-N 447.776 5.199 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]1C(C)(C)Nc1cc(Br)cc(F)c1C#N 2107452057 YYIXCMUXBAGOKW-INIZCTEOSA-N 426.330 5.050 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCC[C@@]23C[C@@H](CO2)[C@H]31 2144303168 NZBCEGXPCBSOLN-XWIOLROMSA-N 433.346 5.042 30 10 IKEE COC1(C(F)(F)F)CC(C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Br)C1 2156340369 VPGDZXXLOLNJOL-UHFFFAOYSA-N 449.267 5.194 30 10 IKEE CC(C)(C)OC(=O)N1CCc2ccc(Nc3cc(Br)cc(F)c3C#N)cc21 2163687378 BLPZYLJKUYDOBM-UHFFFAOYSA-N 432.293 5.501 30 10 IKEE C=C(c1ccccc1)[C@@H](NCC)c1cc(I)ccc1Br 2197139144 FJBJSGMSNPBUBF-QGZVFWFLSA-N 442.138 5.418 30 10 IKEE N#Cc1cc(Br)ccc1COc1c(Cl)cc(Br)cc1Cl 2202929489 DDFRQEKKIBQYMH-UHFFFAOYSA-N 435.930 5.969 30 10 IKEE CCN[C@H](C#Cc1cccc(Cl)c1)c1cc(Br)sc1Br 2239455963 FMMBHKRHORGAJZ-CYBMUJFWSA-N 433.596 5.629 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1c(F)ccc(F)c1F 2239730655 ZLCGBWOSOVHWGY-HNNXBMFYSA-N 441.247 5.873 30 10 IKEE C=CCCC1([C@@H](O)Cc2cc(Br)ccc2Cl)CN(C(=O)OC(C)(C)C)C1 2266311005 WBXGSTNFMBWGNS-KRWDZBQOSA-N 444.797 5.209 30 10 IKEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)CC1CCCCC1 2266992563 UKNQBVLUNLTSGR-UHFFFAOYSA-N 437.389 5.110 30 10 IKEE CC(C)(C)OC(=O)NCc1c(Cl)cccc1Nc1cccc(Br)c1C#N 2268615292 BHKJFFRLLNDBIY-UHFFFAOYSA-N 436.737 5.742 30 10 IKEE CCCCCCCC1=NN2C(=N)C(=Cc3ccccc3Br)C(=O)N=C2S1 2294593216 IHUGNZYRDWKPHS-UHFFFAOYSA-N 433.375 5.429 30 10 IKEE CCCCN1C(=O)C(=C2Sc3ccccc3N2CC)SC1=Nc1ccccc1OC 2295201797 DKCQYUSNMOSDKC-UHFFFAOYSA-N 439.606 5.860 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(CC[C@@H](O)C#Cc2ccc(Br)cc2)cc1 2296284325 PRDDCPFMBLXFSR-FQEVSTJZSA-N 430.342 5.141 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)CCCCN(CC)C(=O)OC(C)(C)C 2296296828 RZFZHSPHYVWTHB-HXUWFJFHSA-N 437.422 5.206 30 10 IKEE CCCCN(C[C@@H](C#Cc1ccc(Br)cc1)NCCC)C(=O)OC(C)(C)C 2296300895 NSWBDZFWLGWHOE-HXUWFJFHSA-N 437.422 5.206 30 10 IKEE Cc1cc(O)c(CN(C)Cc2ccccc2)c2c1C(=O)C(=Cc1cc3ccccc3o1)O2 2296589888 VIUPTGSGSRJIOU-UHFFFAOYSA-N 425.484 5.695 30 10 IKEE Cc1cc(C)cc(CN=C2NC(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)S2)c1 2313511180 SAUSAIAFHZDIOQ-UHFFFAOYSA-N 433.489 5.232 30 10 IKEE O=C1C(=Cc2ccc(Cl)c(Cl)c2)Oc2cc(OCc3ccc(F)cc3Cl)ccc21 2314437798 WYFROSJTHGDDCY-UHFFFAOYSA-N 449.692 6.981 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1 2314479039 YZOUVOYIZRDXLU-VWLOTQADSA-N 441.527 5.755 30 10 IKEE Cc1cccc(N=C2SC(=Cc3ccc(Br)o3)C(=O)N2c2ccccc2)n1 2314540198 LCEWTVUQJUGHTC-UHFFFAOYSA-N 440.322 5.554 30 10 IKEE CC(=C1SC(=Nc2nc(-c3ccccc3)cs2)N(C)C1=O)c1ccc([N+](=O)[O-])cc1 2314544266 XHEVNKOUKNESNB-UHFFFAOYSA-N 436.518 5.342 30 10 IKEE CSC1(C#C[C@H](O)c2cc(Br)cc(NC(=O)OC(C)(C)C)c2)CCC1 2314645225 WVDPKPXBUXBOEZ-INIZCTEOSA-N 426.376 5.119 30 10 IKEE C[C@@H]1CC[C@@H](C#N)[C@H](Sc2cc(I)ccc2Br)C1 2316473561 XTWYFWMNBOZJEA-GBIKHYSHSA-N 436.156 5.474 30 10 IKEE COc1ccc(C=NNc2nc(C)cc(C)n2)cc1OCc1ccc(Cl)cc1Cl 2321699147 JVKPEYYRCNJUES-UHFFFAOYSA-N 431.323 5.434 30 10 IKEE Cc1ccc(CCN2COc3ccc4c(c3C2)OC(=Cc2ccc(Cl)cc2)C4=O)cc1 2322218199 NMUHUXSDVJGEOO-UHFFFAOYSA-N 431.919 5.659 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1cc(C)c2c(c1)OC(=Cc1sccc1C)C2=O 2322762850 CSYPDAYLWYQTPP-UHFFFAOYSA-N 436.485 5.218 30 10 IKEE Cc1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccc4c(c2)OCO4)C3=O)cc1 2323060074 FGOHOBZWEWARCO-UHFFFAOYSA-N 440.451 5.267 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OCC(=O)N[C@H](C)c1ccccc1 2323279799 OCWYTGOBSQJIFS-OAQYLSRUSA-N 443.543 5.464 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc1OCC(=O)OCC(C)C 2323288790 CGCVIURXHJTVTC-UHFFFAOYSA-N 446.927 5.140 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(Cl)c1OCC(=O)OCC(C)C 2323601875 DJSFBGGUCAMEEH-UHFFFAOYSA-N 437.319 5.476 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)ccc1OCC(=O)Nc1ccc(C)c(C)c1 2323627152 NYMFUDJKQVQOHT-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCCNC(=O)COc1c(Cl)cc(C=CC(=O)c2cccc(Cl)c2)cc1OCC 2323767185 FQEZTTPNCDBCKV-UHFFFAOYSA-N 436.335 5.193 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OCC(=O)Nc1ccc(F)cc1 2324010418 ZPXWGWNMVAXAQH-UHFFFAOYSA-N 449.478 5.065 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2sccc2C)C3=O)cc1 2324492524 DYBXDXUJLZXYJI-KRWDZBQOSA-N 447.556 5.950 30 10 IKEE Cc1ccc(C)c(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(Cl)c(Cl)c3)n2)c1 2324561064 KQWJLSCYWIPWIL-KRWDZBQOSA-N 427.356 6.623 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1Cl 2324607161 JROYQCMUXRFULU-SFHVURJKSA-N 449.934 5.501 30 10 IKEE Cc1cc(C)c(COc2cc(C)c3c(c2)OC(=Cc2c(F)cccc2Cl)C3=O)cc1C 2324765413 YMRGXAIXLBSCMN-UHFFFAOYSA-N 436.910 6.908 30 10 IKEE COc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1 2324794651 CHBHQVGBHJKTHW-JOCHJYFZSA-N 430.573 6.314 30 10 IKEE CCOc1ccccc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1cccc(F)c1)C2=O 2324895216 CLUBUDYKANCPCH-UHFFFAOYSA-N 447.462 5.167 30 10 IKEE CCCCCCCCCOc1ccc2c(c1C)OC(=Cc1cccc(OC)c1OC)C2=O 2325191482 CMZOWMFUTXCVDI-UHFFFAOYSA-N 438.564 6.758 30 10 IKEE CCc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccc(C#N)cc4)ccc3C2=O)cc1 2325302786 DLWKDUKUZDOFNQ-KRWDZBQOSA-N 438.483 5.143 30 10 IKEE Cc1ccc(CCOc2ccc3c(c2)OC(=Cc2cccc(Br)c2)C3=O)cc1 2325367236 UMFUPWQYTQRQSY-UHFFFAOYSA-N 435.317 5.995 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1OC(=O)c1cccc(Cl)c1 2325701289 FEDABPKBJCTORB-UHFFFAOYSA-N 446.930 6.343 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc4nc(C)c(C)nc4c3)c2)c(C)c1 2325736288 WEINDRDFHFMMQX-UHFFFAOYSA-N 436.511 5.979 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cccc(OC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)c2)c1 2325740982 QLMASDQCGKDLLH-DNQXCXABSA-N 430.931 6.562 30 10 IKEE O=C(COc1ccc(Cl)cc1)Oc1cccc(C=CC(=O)c2cccc3ccccc23)c1 2325749971 DMJGQNRNTPMEMF-UHFFFAOYSA-N 442.898 6.374 30 10 IKEE CCc1ccccc1OCC(=O)Oc1cccc(C=CC(=O)c2ccc(C(C)C)cc2)c1 2325750758 QBUYDLTUTMYHDS-UHFFFAOYSA-N 428.528 6.253 30 10 IKEE CCCCC(=O)Oc1cc(C=CC(=O)c2ccc(F)cc2)c(Br)cc1OC 2325751227 GNMSPGZPKRPQDO-UHFFFAOYSA-N 435.289 5.589 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cccc(OC(=O)CCc2ccc(Cl)cc2)c1 2325757633 XFGZXSBJRJSVEG-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE CCc1ccc(CCC(=O)Oc2cccc(C=CC(=O)c3ccc(OC)cc3OC)c2)cc1 2325761724 FBMLQMZGGFGQPS-UHFFFAOYSA-N 444.527 5.701 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccc(O)cc2)c(C)c1 2326460499 FLHHCLMDXSNIJH-UHFFFAOYSA-N 442.588 5.560 30 10 IKEE CCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc(C(C)C)cc1 2326589520 AGBZQIYLDSQAAC-UHFFFAOYSA-N 428.605 6.334 30 10 IKEE CCCSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1cccc(OCC)c1 2327385471 AJLNKGIBTIQUCW-UHFFFAOYSA-N 438.597 5.593 30 10 IKEE C=CCSc1nnc(COc2ccccc2Cl)n1N=Cc1ccc(OCCC)cc1 2327672103 GGBSEQMWDKTSDP-UHFFFAOYSA-N 442.972 5.460 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccccc1[N+](=O)[O-] 2327951032 PJEQBEJUDFWZJU-UHFFFAOYSA-N 441.944 5.175 30 10 IKEE CCCSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccccc1OC(C)C 2327976891 DUEOYRLZIUXERU-UHFFFAOYSA-N 443.016 5.888 30 10 IKEE C=CCSc1nnc(COc2c(C)cccc2C)n1N=Cc1ccc(C(C)(C)C)cc1 2328559344 NLBWSFFYNVRQPQ-UHFFFAOYSA-N 434.609 5.932 30 10 IKEE COc1ccc(CCc2nnc(SCc3ccccc3)n2N=Cc2cccs2)cc1 2328576966 LEEXTDKLGIEWJI-UHFFFAOYSA-N 434.590 5.308 30 10 IKEE CCCCOc1ccc(C=Nn2c(CCc3cccc(OC)c3)nnc2SCC)cc1 2328625549 LCEGTOURVGVSRB-UHFFFAOYSA-N 438.597 5.245 30 10 IKEE Fc1ccc(C=Nn2c(COCc3ccccc3)nnc2SCc2ccccc2)cc1 2329341313 CQAYEVIXCPKPGY-UHFFFAOYSA-N 432.524 5.309 30 10 IKEE CCCCOc1ccc(C=Nn2c(SC)nnc2-c2ccccc2Cl)cc1OC 2329520692 DHDRTHKVOBAEHA-UHFFFAOYSA-N 430.961 5.390 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CC[C@@H]2[C@H](C1)C2(F)F 2329716685 UYMZCRFCCGDCQY-VBHSOAQHSA-N 427.289 5.518 30 10 IKEE Cn1cccc1C=Nn1c(Cc2ccc(F)cc2)nnc1SCc1cccc(Cl)c1 2329860353 RVOBLSDMCCPINO-UHFFFAOYSA-N 439.947 5.174 30 10 IKEE COc1cccc(C=Nn2c(Cc3cccs3)nnc2SCc2cccc(F)c2)c1 2330355567 SMGKVZSDRNXOTL-UHFFFAOYSA-N 438.553 5.253 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(CC)cc1 2330642971 ZGLHUWZEDJTEFP-UHFFFAOYSA-N 445.471 5.671 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2cccc(F)c2)cc1 2330646894 JXBMLXWQGDHNEN-UHFFFAOYSA-N 445.523 5.006 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(-c2ccccc2)n1N=Cc1ccc[nH]1 2330678546 KSMFPIZHISMSPB-UHFFFAOYSA-N 428.348 5.755 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3cccc(C)c3C)cc2)cc1OC 2330707247 BBIGDDPNDRQCCR-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)ccc1OC(=O)CCc1ccccc1 2330794942 BSMWBNCTRJPNCK-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE O=C(Cc1ccc(F)cc1F)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1 2330802212 MBWKYZZGCMCQDS-UHFFFAOYSA-N 447.264 6.316 30 10 IKEE Cc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCC(=O)Nc2cc(C)ccc2C)cc1 2330805276 FOIWVTMRRLSEMW-UHFFFAOYSA-N 449.624 5.405 30 10 IKEE COc1cccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccc(F)cc2)c1OC 2330819275 AJGSWKVZBQTUQI-UHFFFAOYSA-N 442.560 5.198 30 10 IKEE CCCC(=O)Oc1c(OC)cc(C=CC(=O)c2ccc(Br)cc2)cc1OC 2330886150 YWKZEAOUKAJTBQ-UHFFFAOYSA-N 433.298 5.068 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)c1ccc(F)cc1 2330896107 PCJKTGMBPGVOJX-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3ccccc3C)c(OC)c2)cc1 2330954860 LSVGZNYSNRBEPZ-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)c1ccc(Cl)cc1 2331077664 SMBMBUBBNOHEHC-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)cc1)c1ccc(F)cc1F 2331084371 KGRMLJNECJISGA-NHCUHLMSSA-N 438.857 6.223 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)c1cncc(C)c1 2331156039 BWVCKBACNNHZPP-UHFFFAOYSA-N 447.918 5.896 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2Br)cc1 2331167936 SVSJWQOEWKQIFX-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccccc3)c(Br)c2)c1 2331320419 LOPVSPANLGEDRI-UHFFFAOYSA-N 435.317 6.181 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)cc1 2331352358 MOQDUNBQEIESDO-YADHBBJMSA-N 446.930 6.262 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)[C@H]1CCCO1 2331499890 BUIHXIVBWNEZTN-JOCHJYFZSA-N 442.939 5.843 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)CCc1ccccc1 2331512144 JFNUUQAXKXJYSA-UHFFFAOYSA-N 438.882 5.922 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OC(=O)C3CC3)c(Br)c2)c1C 2331647000 RQNMQPNAZIANEA-UHFFFAOYSA-N 427.338 5.894 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1ccc2c(c1)OCO2 2331715308 JYYLKFOYYYWWMQ-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)C(C)(C)C)c(Cl)c2)c(OCC)c1 2331734120 KMNZDPYUPMALKT-UHFFFAOYSA-N 430.928 5.985 30 10 IKEE Cc1ccc(-n2nnc(C#N)c2NC(=O)C=Cc2ccc(Cl)cc2Cl)cc1Cl 2332187194 DQLOCCPCAHVQSK-UHFFFAOYSA-N 432.698 5.060 30 10 IKEE C[C@@H]1CN(Cc2ccccc2)C[C@@]1(C)CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2365050001 HDRZGRKEGBKAGN-JPCWDVOXSA-N 447.432 5.296 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1cnc(C(F)(F)F)o1 2367983766 WQIVADSYFQOKIH-LBPRGKRZSA-N 446.223 5.462 30 10 IKEE CCCCCCCCNC(=O)c1sc2ncn(Cc3ccccc3F)c(=O)c2c1C 2910974 OTFUXQQOLMAZFM-UHFFFAOYSA-N 429.561 5.044 30 10 IKEE CCc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(F)c(Br)c2)cc1 20882127 JEMRPNBVPLZGNG-IRXDYDNUSA-N 442.328 5.155 30 10 IKEE CC(C)(C)c1ccc(/C=N/N=C2\NC(=O)[C@H](Cc3cccc(C(F)(F)F)c3)S2)cc1 39888393 VPIGCBIMFXKSMK-NPSPNJCMSA-N 433.499 5.167 30 10 IKEE CCOc1ccc(CCC(=O)Nc2sc(=S)c3c(c2C#N)CC[C@@H](C)C3)cc1OC 41019121 KYESDCBRQFJXMA-CQSZACIVSA-N 442.606 5.453 30 10 IKEE Cc1cc(OC(=O)c2cc3ccccc3o2)cc2c1C(=O)/C(=C/c1cn(C)c3ccccc13)O2 41352623 SJITYWWCRBUVKV-CFRMEGHHSA-N 449.462 6.068 30 10 IKEE CCCCCCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1 100441858 CHCIJPNEZWLSPX-UHFFFAOYSA-N 438.678 6.403 30 10 IKEE O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)S/C(=N/Cc2ccccc2)N1Cc1ccccc1 100478570 IZVJAXDYUKJUCR-HLTANSAUSA-N 429.501 5.268 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2cccs2)c1 169928472 IOXWKEROAACZBX-JOCHJYFZSA-N 433.529 5.152 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@@H]1c1ccccc1OC 169943969 KHNYVZGHXRLKBT-XMMPIXPASA-N 443.499 5.104 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2cccs2)c1 169989022 SKZPWYKQKFGHPU-JOCHJYFZSA-N 433.529 5.152 30 10 IKEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@@H]1c1cccs1)c1cccc(Cl)c1 169989871 JIVIKNZCXLECNI-GOSISDBHSA-N 435.892 5.061 30 10 IKEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccccc2)cc1 170047899 NVGVCQVLMMVENQ-JOCHJYFZSA-N 432.907 5.189 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(OC)cc3)[C@@H]2c2ccccc2)cc1 170054391 XAGDOFCYSUZDFW-XMMPIXPASA-N 427.500 5.036 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2ccc(F)cc2)cc1 170060582 PRCJTZQOBVOZHA-QHCPKHFHSA-N 431.463 5.180 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccc(F)cc2)c1 170060963 YJTMJXBNXJTPCE-QFIPXVFZSA-N 437.417 5.504 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccc(F)cc1)c1cc2ccccc2o1 170060973 VWSWNGHXUNHTIE-JOCHJYFZSA-N 449.384 5.633 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1cccc(O)c1)c1ccc(Cl)cc1 170081115 OXBDLDFLZXEOCD-FQEVSTJZSA-N 440.282 5.482 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2sccc2C)c1 170106634 RQRGVGNVFNSHSW-IBGZPJMESA-N 439.920 5.501 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cccc(C)c1 170145296 WVTBXOZJDNDRHW-HSZRJFAPSA-N 433.548 5.531 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccccn1)c1cccc2ccccc12 170173940 PBFJUSVSNGAOMR-QHCPKHFHSA-N 440.886 5.671 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(OCC)cc2)c1 170214606 WHDJQGZYYRCLDK-DEOSSOPVSA-N 449.547 5.395 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3cc(Cl)ccc3OC)=C(O)C(=O)N2CCC)cc1 170215524 XTNJYAZMLBVGPB-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCC)cc1 170215641 SKUCDDMHJVRJDD-DEOSSOPVSA-N 433.548 5.343 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2)[C@@H]1c1cccc(OCC(C)C)c1 170219047 YQPYOXRSERUXAT-QHCPKHFHSA-N 437.536 5.108 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@@H]1c1ccccc1 170223688 XJMXIQBVNDJNCF-XMMPIXPASA-N 441.527 5.712 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(Cl)cc1)c1ccc2c(c1)CCCO2 170235532 ZCTCEMRJKVGTAP-JOCHJYFZSA-N 449.890 5.037 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(OC)c3)=C(O)C(=O)N2C2CCCC2)cc1 170268472 AMMSUIKYQBYEFN-QFIPXVFZSA-N 439.939 5.432 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2ccccc2C)cc1 170272586 RIYRMUJMYRWFLT-VWLOTQADSA-N 439.511 5.411 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccc(C)o2)c1 170302087 GDSCCCBRJWVULX-VWLOTQADSA-N 437.495 6.141 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2sccc2C)cc1C 170315347 MDRHXTUNEIFXJE-JOCHJYFZSA-N 447.556 5.773 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(Br)cc2)o1 170402573 XYQFBRZYKXEEJQ-QGZVFWFLSA-N 444.306 5.195 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 170456503 LKWCRSFVIHYERK-XMMPIXPASA-N 441.527 6.303 30 10 IKEE CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]3c3cccc(C)c3)sc2c1 170462281 NCKVROJARRTTIQ-HXUWFJFHSA-N 434.561 5.682 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(Cc2ccc(C(=O)O)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 170468262 HFECZBZNRRHCKC-HSZRJFAPSA-N 449.547 5.193 30 10 IKEE C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(C)c2C)SC1=Nc1ccc(C)c(Cl)c1 252617475 KTPDPPXJUVXQGD-FQEVSTJZSA-N 441.984 5.412 30 10 IKEE Cc1ccc(N=C(c2ccccc2)N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(C)cc2)cc1 254384709 FETFHOWIUKAAPJ-UHFFFAOYSA-N 449.510 6.637 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)OC)c3)o2)SC1=Nc1ccccc1 254483733 QWXOSSDPZIQZOJ-AQAUNXFGSA-N 432.501 5.357 30 10 IKEE O=c1c2c3c(sc2ncn1N=Cc1ccc(Sc2ccc(Cl)cc2)o1)CCCC3 254489086 QWEHCEDDJCDYNU-UHFFFAOYSA-N 441.965 5.617 30 10 IKEE CCOc1cccc(/C=N\n2c(CC)nnc2SCc2ccc(C(C)(C)C)cc2)c1O 526805327 IOIGNQQMCZNDQB-MYYYXRDXSA-N 438.597 5.417 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccc(OC)c(OC)c1 526816805 NOIALOVHMDIQNA-QRVIBDJDSA-N 430.961 5.076 30 10 IKEE CC[C@@H](C)c1cc(B2OC(C)(C)C(C)(C)O2)cc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 607718038 UVLSOCHWRZSFSV-MSOLQXFVSA-N 444.425 5.009 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OCc2ccccc2)C1 698481948 BNPVSHPSYHIYBM-RUZDIDTESA-N 435.524 5.041 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@H](C#N)c1ccc(F)c(Br)c1 698967060 PXRBDERYEHFTCR-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1cccc(Cl)c1Br 719727277 WLLHMQXCXQBTTE-KRWDZBQOSA-N 435.749 6.417 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CC[C@@H](CNC(=O)OC(C)(C)C)C1 724066644 CYUQNRXQEWZPKB-KOSHJBKYSA-N 429.561 5.324 30 10 IKEE Cc1ccc(/C(Cl)=C(/C=NNc2ccccc2)c2cc(C#N)c(C#N)cc2[N+](=O)[O-])cc1 1081098344 HINHWLVSYWRIKX-JFNKYEQTSA-N 441.878 5.852 30 10 IKEE CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2/C=N\c1ccccc1/N=C\[C@@H]1C(=O)[C@H]2CC[C@@]1(C)C2(C)C 1084330142 HXEWRZRCECTMFG-DDNVCJRSSA-N 432.608 6.374 30 10 IKEE N[C@H]1CCCC[C@@H]1N/C(=N/C1CCCCCC1)Nc1ccc(OCc2ccccc2)cc1 1088664565 FUOWVBKPZCNZGE-UIOOFZCWSA-N 434.628 5.616 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=Nc1nc(C)cs1 1772735129 FWKRUEOQXQFMJL-DSBLIHRRSA-N 441.965 6.155 30 10 IKEE Cc1c(N=Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c(O)n(C2CCCCC2)c(=O)c1C#N 1772741357 IAPYOBKQMPOLEA-UHFFFAOYSA-N 449.389 5.582 30 10 IKEE Fc1ncc(-c2c(F)c(F)c(F)c(F)c2F)cc1-c1c(F)c(F)c(F)c(F)c1F 1848358400 DEIMPIXBUKCOCJ-UHFFFAOYSA-N 429.188 5.946 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@@H]1c1cccc(O)c1)c1ccc(F)cc1F 1862412002 UGSAKTIMCUFYIW-JOCHJYFZSA-N 441.474 5.362 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)c1 1862413355 ARWVDSLCHPPQMU-PRPYNDMISA-N 441.474 5.130 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@@H]1c1cccc(F)c1)c1ccccc1Cl 1862431494 IJLRMXILKCBXHV-JOCHJYFZSA-N 441.930 6.170 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc2cc[nH]c2c1 1862432663 KATUNNMCFTZWSX-YCASGBEESA-N 448.950 5.978 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2cccc(F)c2)c1 1862445548 YGUXZXHFVBBWAN-HSZRJFAPSA-N 449.909 5.874 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@H]2c2ccc(F)cc2)cc1 1862474411 NBDTZBHSHXGNOO-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(CC)cc1 1862489521 XEDUWXMHGRZZDL-RUZDIDTESA-N 449.591 5.651 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccc(F)cc2F)c1 1862491425 SJHRFYNCCYTMMT-XDHUDOTRSA-N 447.481 5.921 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccc(Cl)cc2)c1 1862507166 FQPMVIBBBMQBEQ-HSZRJFAPSA-N 449.909 5.874 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2ccc(Br)cc2)cc1 1862540771 VQNADBMGCHEDKK-VBKZILBWSA-N 442.353 5.388 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1c(F)cccc1Cl 1862549095 IAJSGZLZUCZCJQ-RCDICMHDSA-N 441.930 5.735 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccc(F)cc2F)c1 1862561638 VYWRQXJGLVABCB-JOCHJYFZSA-N 440.490 5.238 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCCOC(C)C)cc1 1862663233 PQPTWPQORAYFDO-VWLOTQADSA-N 449.591 5.766 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccccc1[N+](=O)[O-] 1862728030 RLXUACKVNHNBNX-HSZRJFAPSA-N 440.455 5.026 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(Cl)c(Cl)c3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862905639 YARLHKGCTPNDGA-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(OCCCCCC)cc2)=C(c2ccc(F)c(C)c2)C1=O 1863458106 VUKPMVDYSCSTPW-UHFFFAOYSA-N 436.527 5.471 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCCN(CC)CC)=C(c2ccc(C)cc2)C1=O 1863621898 XABSJBIJYXSOFF-UHFFFAOYSA-N 441.660 5.147 30 10 IKEE O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(Br)c1F 1866138432 ORTGKLMXFJIKGV-UHFFFAOYSA-N 430.117 5.878 30 10 IKEE C=CCN(CC=C)c1cc(N2CCO[C@@H](c3ccccc3)C2)nc(-c2ccc(Cl)cc2)n1 1869263904 CNTJAIIPNGTQDW-HSZRJFAPSA-N 446.982 5.553 30 10 IKEE CCCCCCCCCCn1cc(OCCCOc2ccc(CC)cc2)c(=O)cc1C 1870094221 LTGADQHAQWCLHH-UHFFFAOYSA-N 427.629 6.708 30 10 IKEE C=CCOc1cn(Cc2ccccc2)c(CNc2ccc(Br)cc2C)cc1=O 1870810856 VKCRUPOMASHDQJ-UHFFFAOYSA-N 439.353 5.144 30 10 IKEE C#CCOc1cn(CCCCc2ccccc2)c(CNc2ccc(CCCC)cc2)cc1=O 1871007267 TYACOTJLAPTZQF-UHFFFAOYSA-N 442.603 5.838 30 10 IKEE C=CCn1cc(OCC(=O)Nc2ccc(C)cc2)c(=O)cc1CNc1ccccc1C(C)C 1871159087 FCLWDECCOQWSGH-UHFFFAOYSA-N 445.563 5.096 30 10 IKEE Cc1cccc(Cn2cc(OCc3ccc(C#N)cc3)c(=O)cc2CNc2cccc(C)c2)c1 1871250780 WFILXFJKRSFPKC-UHFFFAOYSA-N 449.554 5.576 30 10 IKEE COc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCC(C)C)c(C)c1 1871252384 YIGAUDYUCHPPHK-UHFFFAOYSA-N 445.563 5.274 30 10 IKEE Cn1cc(/C=C2\Oc3cc(OC(=O)Cc4ccc(F)cc4)ccc3C2=O)c2ccccc21 1871372076 YXLQBWNPCIKUJG-CFRMEGHHSA-N 427.431 5.082 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O)c1ccc(-n2cccc2)cc1 1871383476 CBKAFKJADNYHKA-IWIPYMOSSA-N 425.415 5.452 30 10 IKEE CCCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)c1 1871391195 OUBCAJAHQJXPHD-QRVIBDJDSA-N 446.430 5.367 30 10 IKEE Cc1cc(O)c(CN(Cc2ccccc2)C(C)C)c2c1C(=O)/C(=C/c1ccccc1F)O2 1871395037 CZBJSFJHOCLBRK-OYKKKHCWSA-N 431.507 5.867 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCCCCOc4ccccc4C)cc(C)c3C2=O)cc1 1871405559 VOQTYWQGNMCFKF-ONUIUJJFSA-N 444.527 6.166 30 10 IKEE COC(=O)c1cccc(COc2cc(C)c3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)c1 1871416228 SFGMMEXIJHABJZ-UUYOSTAYSA-N 434.875 5.630 30 10 IKEE COc1cccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)c1 1871442051 XIDDFRLORQYURU-JJFYIABZSA-N 449.890 5.291 30 10 IKEE Cc1c(OCCN2CCCCC2)ccc2c1O/C(=C\c1c(Cl)cccc1Cl)C2=O 1871451365 RHJVKYLDVXXBDJ-STZFKDTASA-N 432.347 5.783 30 10 IKEE Cc1cc(OCCN2CCCCC2)cc2c1C(=O)/C(=C/c1ccccc1Br)O2 1871451525 ZKMTVWWXMODACU-STZFKDTASA-N 442.353 5.238 30 10 IKEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccs1 1871785494 LJBQJYYCPPKVGT-INIZCTEOSA-N 447.409 5.039 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)c(C)c1 1871990683 IHJZAGWIFYHZHM-XMMPIXPASA-N 442.625 5.294 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NS(=O)(=O)c1cc(C)ccc1C)[C@H](C)CC 1872612604 FSBQZFIQBYAQCY-OFNKIYASSA-N 438.678 5.253 30 10 IKEE COc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1 1872777656 SGPQZODTDSMVBB-LJQANCHMSA-N 431.517 5.335 30 10 IKEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)Nc3cc(F)ccc3F)cc2[nH]1 1872807750 CNWFJKXQCWELNT-UHFFFAOYSA-N 435.430 5.237 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)cc2Cl)=C(c2ccccc2)C1=O 1873414003 RRAFOFZGRLNNEY-UHFFFAOYSA-N 428.935 6.032 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C(F)(F)F)c2)=C(c2ccccc2)C1=O 1873415351 OECOHMLLQKMGOM-UHFFFAOYSA-N 444.497 6.258 30 10 IKEE CCCCCCOc1ccc(/C=N/Nc2cnn(C(C)(C)C)c(=O)c2Cl)cc1OC 1873526390 CCTJAJCDBRPENS-ZVHZXABRSA-N 434.968 5.065 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(C(C)(C)C)cc1)n2CC(C)C 1873656580 FEHPBZVFUPDXAI-UHFFFAOYSA-N 445.611 5.816 30 10 IKEE COc1ccc(/C=N/Nc2ccnc(Cl)n2)cc1OCc1ccc(Cl)c(Cl)c1 1873795379 FYTMAAJNYRWPHJ-YSURURNPSA-N 437.714 5.470 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccncc1 1874362442 FVLGOFBTWJRSBD-JVWAILMASA-N 447.995 5.595 30 10 IKEE Fc1ccc(Cc2nnc(SCc3ccccc3F)n2/N=C/c2cccc(F)c2)cc1 1874379591 APXXCVBKIQFONS-MZJWZYIUSA-N 438.478 5.461 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1ccc(OCC)c(OC)c1 1874507793 VHYMPDNMDPYDDP-MFKUBSTISA-N 438.597 5.429 30 10 IKEE CCOC(=O)c1ccc(COc2ccccc2/C=C/C(=O)c2ccc(Cl)cc2Cl)o1 1874573271 FMHFBNSXUUYKNV-YRNVUSSQSA-N 445.298 6.238 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(F)cc2)c1C 1874583772 FZBHRMPKZHAMNB-XYOKQWHBSA-N 437.898 6.010 30 10 IKEE COC(=O)COc1c(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc(Cl)cc1OC 1874584374 LGTVPKCZKHTSMB-VQHVLOKHSA-N 446.927 5.103 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OCCC)c(OC)c2)cc1OCCC 1874612665 GSUKKKMWOFRCMM-CSKARUKUSA-N 446.971 6.611 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OCc3ccccc3C)c(OC)c2)cc1 1874613745 LFRSYGNAFDEUPP-NTEUORMPSA-N 436.935 6.531 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OCc1cccc(F)c1 1874629140 OCFUJBUGDJPFDN-ZHACJKMWSA-N 448.534 6.552 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCCOc3cccc(C)c3)c2)cc1C 1874696271 PJDXWQMOMBGPGF-WYMLVPIESA-N 444.527 5.973 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2cccc(F)c2)c1)c1ccc(Br)cc1 1874696758 FVRISUPOUCPYNL-KPKJPENVSA-N 425.253 5.704 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(OC)cc2)CSc2nnc(CCC)n21 1874860357 JBIWLAFTEGUWAS-FQEVSTJZSA-N 430.618 5.301 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(F)c(C)c2)CSc2nnc(CCCC)n21 1874893165 MXMISLCEXGFYEL-NRFANRHFSA-N 446.636 6.130 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OC(=O)Cc1ccccc1Cl 1875127759 WPLNXWREWVDLQA-VAWYXSNFSA-N 441.310 6.046 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2c(F)cccc2Cl)cc1)c1ccc(Cl)c(Cl)c1 1875134553 XZMPQAQUJHWPAY-IZZDOVSWSA-N 449.692 6.901 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)c1cncc(C)c1 1875138147 PBKZZYVXDULHFD-BQYQJAHWSA-N 435.907 5.784 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1cccc(OC)c1 1875145285 JSAGWWPTSQEMQE-ZRDIBKRKSA-N 446.499 5.526 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)CC(C)(C)C 1875157446 YTYDTFCUIUZCPB-XNTDXEJSSA-N 434.576 6.785 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)c1cncc(C)c1 1875159511 FLQNJFONIOTWSQ-RUDMXATFSA-N 439.870 5.697 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OC(=O)C(F)(F)F)c(Cl)c1 1875180488 OEMGGOLRYIYUKB-HWKANZROSA-N 433.209 5.674 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N1C[C@@H](C)O[C@H](C)C1)n2CC 1875201866 ZBAQJRUDXGCFIX-WOJBJXKFSA-N 443.636 5.253 30 10 IKEE O=C(Cc1cc(C(F)(F)F)ccc1F)N1CC[C@@H](Cc2ccc(C(F)(F)F)cc2)C1 1891247087 NJRKMGYIJCVJKN-AWEZNQCLSA-N 433.367 5.497 30 10 IKEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(CN(Cc2ccccc2)Cc2cccs2)c1 1915410521 RKJSWSCLLBVHTC-UHFFFAOYSA-N 449.425 5.258 30 10 IKEE CCCCCCCCC[C@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NC 1947479256 KNIIVZLZJGWFBD-RPWUZVMVSA-N 434.665 6.215 30 10 IKEE CC[C@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2014648239 TXFPUIYZFNWSPN-WZONZLPQSA-N 433.524 5.249 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1N(C(=O)OC(C)(C)C)CCSC1(C)C 2018260337 BBLMFDFDZOPLBL-FGZHOGPDSA-N 448.673 5.259 30 10 IKEE CC(C)N[C@@]1(C#N)CCC[C@H](CN(CCN(C)Cc2ccccc2)Cc2ccccc2)C1 2034739854 QUJKQICHTSBTFY-NSOVKSMOSA-N 432.656 5.071 30 10 IKEE CC[C@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(C)c2)CN1C(=O)OC(C)(C)C 2040666800 FDYIRJUSLWQEMD-DFBJGRDBSA-N 443.588 5.808 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2046019661 PKJSPCOKTGOPMV-NRBNPPADSA-N 445.535 5.153 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C12CCC2 2053045177 SFCFIBONHNGTNY-IQGLISFBSA-N 447.620 5.533 30 10 IKEE CC#CCCCC[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NC 2075367986 OFVYTLCRDNVHLZ-DEOSSOPVSA-N 441.660 5.108 30 10 IKEE C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2076316153 FCWWPCVHGXQXDN-BXKMTCNYSA-N 447.551 5.497 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@@H](C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2077947684 KLEZGUAUHRZPPO-LPHOPBHVSA-N 447.551 5.495 30 10 IKEE CC(C)c1ccc([C@H](n2nc(C(C)C)c(C#N)c2I)C(C)(C)C)cc1 2079907474 YKIVBTAHNMNTTF-IBGZPJMESA-N 449.380 6.242 30 10 IKEE COc1ccc(C(F)(F)F)cc1-c1cc(Cl)n2nc(C3CCCCC3)c(C#N)c2n1 2081403519 FPFYHNLHVZUUKO-UHFFFAOYSA-N 434.849 5.996 30 10 IKEE CC[C@](C#N)(CCC(F)(F)F)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2087991684 LXOOAVGDQMWINV-QGZVFWFLSA-N 435.284 6.205 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(C)sc(C)c1Br 2089289211 NZFDXBFVZNGPKS-YJBOKZPZSA-N 443.451 5.475 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CN(Cc3ccccc3)C3(CCCC3)C2)cc1 2100066346 GGZOCFOXVKTAJB-NDEPHWFRSA-N 445.607 6.218 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCCCC(F)(F)C1 2112642822 FBEFEYLZCBPXRF-GOSISDBHSA-N 429.305 6.052 30 10 IKEE C[C@@H](C1CC1)N(Cc1ccccc1)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(F)(F)F 2116148898 WHTUKOCWCLCGQM-KRWDZBQOSA-N 445.334 5.810 30 10 IKEE C=CCCCCCC[C@@H](NC)c1cc(Br)ccc1I 2141907214 BSCPKZLYXZDSRW-MRXNPFEDSA-N 436.175 5.841 30 10 IKEE CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1Nc1ccc(C#N)cc1Br 2149851843 KGUISNVFWSCYNY-SJLPKXTDSA-N 436.394 5.404 30 10 IKEE CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1Nc1cc(Br)ccc1C#N 2149854910 ZSAWKZAJTJHAPI-SJLPKXTDSA-N 436.394 5.404 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)CCCCN(CC)C(=O)OC(C)(C)C 2235724790 GORJTKGCYMCBSI-LJQANCHMSA-N 437.422 5.206 30 10 IKEE C=CCCC1([C@H](O)c2sc(C)c(Br)c2C)CN(C(=O)OC(C)(C)C)C1 2254923830 FONLVJCFQBEVHU-MRXNPFEDSA-N 430.408 5.364 30 10 IKEE CCCCCCCCC[C@@H](C)NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2263709836 ATIKJDYAPRXFOL-AREMUKBSSA-N 436.684 6.577 30 10 IKEE C=CCCC1([C@H](NC)c2cccc(Cl)c2Br)CN(C(=O)OC(C)(C)C)C1 2272006591 CNIZIISRDWAGMQ-QGZVFWFLSA-N 443.813 5.566 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Br)c([C@@H](O)C#Cc2ccccc2Cl)c1 2277861028 WFJUBLZVYLVZPU-SFHVURJKSA-N 436.733 5.535 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CN[C@H]2CCCC[C@@H]2C1 2279694214 KLILHZFZFJVGNF-FYINFDKHSA-N 434.378 5.005 30 10 IKEE CCN[C@H](C#CC1CCCCC1)c1cc(I)ccc1Br 2289682171 RGKVIPVRFYQUFR-QGZVFWFLSA-N 446.170 5.288 30 10 IKEE CCN[C@H](C#Cc1ccccc1Cl)c1csc(Br)c1Br 2295211013 FQDGYPAPFLZUGP-CYBMUJFWSA-N 433.596 5.629 30 10 IKEE COc1cccc(NC(=O)OC(C)(C)C)c1C(=O)C#Cc1cccc(Br)c1 2296232192 LKCCZOJIECULSD-UHFFFAOYSA-N 430.298 5.039 30 10 IKEE COc1ccc(C(=O)COc2ccc3c(c2)OC(=Cc2c(F)cccc2Cl)C3=O)cc1 2296867270 GATAVEFWMRFZKW-UHFFFAOYSA-N 438.838 5.366 30 10 IKEE CCn1cc(C=C2Oc3cc(OCc4ccccc4)ccc3C2=O)c2cc(OC)ccc21 2296872015 QHKGVINCSYUHQP-UHFFFAOYSA-N 425.484 5.865 30 10 IKEE C=CCCN(Cc1ccccc1)[C@@](C)(C[C@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)O 2306525730 ISPAEDJJSXGSDK-BWKNWUBXSA-N 430.589 5.088 30 10 IKEE CCCCCCCOc1ccc(NC(=S)NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1 2313861763 FKIABAGGLXVREF-UHFFFAOYSA-N 441.553 5.470 30 10 IKEE CCOc1ccc2c(c1)OC(=Cc1ccc(OC(=O)c3ccc(F)cc3)c(OC)c1)C2=O 2314527199 JSKDDMBEYSHAFO-UHFFFAOYSA-N 434.419 5.068 30 10 IKEE CC(C)(C)OC(=O)NC1([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)CCCCC1 2318704535 JTMXEQMTJRQNGJ-LJQANCHMSA-N 447.551 5.687 30 10 IKEE CCN(CC)CCCCN1COc2c(cc3c(c2C)OC(=Cc2sccc2C)C3=O)C1 2322390818 ADLZTEHCCGBFTR-UHFFFAOYSA-N 440.609 5.255 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)N[C@@H](C)c2ccccc2)c1 2322617386 PQQGYALSIPQOSM-FQEVSTJZSA-N 447.962 6.109 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccccc1OCc1ccccc1Cl 2322767051 WTFXMULSOJEAJY-UHFFFAOYSA-N 434.963 7.121 30 10 IKEE COc1cccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)c1OCCc1ccccc1 2322969047 NMIRHGPNVYJQRS-UHFFFAOYSA-N 428.572 6.819 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Cl)c(OCc2cc(C)ccc2C)c(OC)c1 2323693605 HIMRBGRDBDCOOR-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3cccc4ccccc34)cc2)o1 2324128110 GSNYETXTTSYXJJ-UHFFFAOYSA-N 426.468 6.085 30 10 IKEE Cc1ccc(C=C2Oc3c(CN4CCC(N5CCCCC5)CC4)c(O)cc(C)c3C2=O)cc1 2324210195 UZXXZHTZOVHQGD-UHFFFAOYSA-N 446.591 5.076 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc(OC)c1OCCCO 2324268941 GZADMOBWQCPGJU-UHFFFAOYSA-N 438.564 5.521 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c(OC)c1 2324464595 PIILNYRQOOQWFF-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE Cc1ccccc1OCCCCOc1ccc2c(c1C)OC(=Cc1ccc(F)cc1)C2=O 2324599117 YGYJGCJQINXVCJ-UHFFFAOYSA-N 432.491 6.297 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)C=Cc2cccc([N+](=O)[O-])c2)n1 2324794869 ZJSNXYJIFQGYDP-OAQYLSRUSA-N 445.544 6.214 30 10 IKEE CCCCCCOC(=O)COc1ccc2c(c1C)OC(=Cc1cccc(Cl)c1)C2=O 2325031414 WFASAUUEEMWLMD-UHFFFAOYSA-N 428.912 5.767 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3)n2N=Cc2ccc(O)cc2)c1 2325489554 PMROYYMSFNGERD-UHFFFAOYSA-N 428.561 5.366 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(F)c(F)c2)ccc2c1OC(=Cc1ccc(F)cc1)C2=O 2325522889 NEWZWKDHWZLQLV-UHFFFAOYSA-N 439.389 5.046 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1N=Cc1cc(Br)ccc1O 2325554505 FNAIDACFLBACQW-UHFFFAOYSA-N 449.349 5.012 30 10 IKEE COC(=O)c1ccc(C=C2Oc3c(ccc(OCCc4ccc(OC)cc4)c3C)C2=O)cc1 2325631766 XVLIPMPWHIIJSH-UHFFFAOYSA-N 444.483 5.028 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCC(=O)NCc4ccccc4Cl)c3C)C2=O)cc1 2325642790 FQVCRRIGTIUHBH-UHFFFAOYSA-N 447.918 5.268 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1cccc(C=CC(=O)c2ccc3ccccc3c2)c1 2325700207 OFZRTSVDAWOCNC-UHFFFAOYSA-N 442.898 6.617 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC(=O)C3CCC3)c(OC)cc2Br)cc1 2325718894 NQVWHCQLGTUSDK-UHFFFAOYSA-N 445.309 5.068 30 10 IKEE CCc1ccc(NC(=O)COc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1 2325722447 SQHPEIYISVSIPH-UHFFFAOYSA-N 425.484 5.439 30 10 IKEE O=C(C=Cc1cccc(OC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)c1)c1ccc([N+](=O)[O-])cc1 2325722679 BTSJDZIDFJVEDI-YADHBBJMSA-N 447.874 5.853 30 10 IKEE COc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2325731910 OEFULKJXWQNOGV-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)Oc1cccc(C=CC(=O)c2ccccc2)c1 2325732734 LFLVZXMISHCSLH-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(F)cc2F)c1)c1ccc(Cl)c(Cl)c1 2325737461 CHVAFWMEESKCAQ-UHFFFAOYSA-N 433.237 6.387 30 10 IKEE COc1ccc(CCC(=O)Oc2cc(C=CC(=O)c3ccc(F)c(C)c3)ccc2OC)cc1 2325741472 FTZLAJRSFDAJLH-UHFFFAOYSA-N 448.490 5.586 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1OC(=O)[C@@H](C)c1ccccc1 2325755411 ZJIVVKKOZCUEJO-FQEVSTJZSA-N 444.527 5.926 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)Cc2ccc(Cl)cc2)c1 2325781247 FDNSPKUCXMFPCQ-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE Cc1ccccc1CSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccc[nH]1 2327243051 IYEWRLIRGIPTMK-UHFFFAOYSA-N 445.592 5.593 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1cccc(OC)c1 2327549025 JCBKFTDVQAKYND-UHFFFAOYSA-N 428.945 5.070 30 10 IKEE CCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc(N(CC)CC)cc1 2328051403 RQQXGZHFXBTPRD-UHFFFAOYSA-N 442.032 5.557 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2N=Cc2ccccc2[N+](=O)[O-])CC1 2328179872 NPTBHOCWDJCRJB-UHFFFAOYSA-N 429.590 6.035 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccc(C)cc3)n2N=Cc2cccnc2)cc1 2328562336 IQMSMPARUYWDJF-UHFFFAOYSA-N 443.576 5.146 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2cccs2)n1N=Cc1ccc(N(C)C)cc1 2330335091 FLGZRAMDWOIBFW-UHFFFAOYSA-N 447.633 5.479 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)cc(Cl)c1OC(=O)[C@H]1CCCO1 2330752589 VLTUDJQPUDAFAK-OAQYLSRUSA-N 428.912 5.282 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc([N+](=O)[O-])cc1 2330804419 GIWAJVNCISIZDH-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)c1cccs1 2330935484 XEDNQQBSRFVEIL-UHFFFAOYSA-N 447.339 6.569 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)c(F)c3F)c(Cl)c2)cc1 2330961339 BSPBTVJGMXCGNZ-UHFFFAOYSA-N 446.808 5.881 30 10 IKEE Cc1cccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C2CCCC2)c1 2331081373 SIHKOALLAKKQOU-UHFFFAOYSA-N 445.419 6.725 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(CC)cc3)c(Cl)c2)cc1 2331195572 LSAONYKIJJQFGN-UHFFFAOYSA-N 434.919 6.416 30 10 IKEE C=C(C)CSc1nnc(-c2ccco2)n1N=Cc1ccc(OCc2ccc(C)cc2)cc1 2331201990 QVCQZKNIBFIHDF-UHFFFAOYSA-N 444.560 5.976 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)cc3Cl)c(Cl)c2)cc1 2331266007 QQMIGQQRXJXBFZ-UHFFFAOYSA-N 445.729 7.071 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccccc3Cl)c([N+](=O)[O-])c2)c1 2331322480 CHNQOOAZKYVAEG-UHFFFAOYSA-N 435.863 5.980 30 10 IKEE CCCCOc1ccc(C=Nn2c(CC(C)C)nnc2SCc2ccc(F)cc2)cc1 2331434706 PNSSUARVGSEKHQ-UHFFFAOYSA-N 440.588 5.969 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1OC(=O)[C@H]1CCCO1 2331640614 GTFAMZAGDIPQHF-OAQYLSRUSA-N 442.939 5.563 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1cc(C)cc(C)c1 2331780299 YNAOZCYLMVHTPO-UHFFFAOYSA-N 428.528 6.353 30 10 IKEE CCCC(=O)Oc1ccc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1OCC 2331814590 RMDXJDKUYMOYFC-UHFFFAOYSA-N 437.319 6.002 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)c(F)c3)cc2)cc1Cl 2331818719 CYVXVRNSGXPTEV-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)c1ccco1 2331863680 MGYYSZCXGHGQOX-UHFFFAOYSA-N 431.271 6.100 30 10 IKEE Cc1cc(C)c(Cn2nnc(C#N)c2NC(=O)C(=Cc2ccccc2)c2ccccc2)c(C)c1 2332148885 NKNVHDWCRLPFTA-UHFFFAOYSA-N 447.542 5.303 30 10 IKEE Cc1c(Cl)cccc1-n1nnc(C#N)c1NC(=O)C=Cc1ccc(Cl)c(Cl)c1 2332188594 QMPSDMWARDXLNK-UHFFFAOYSA-N 432.698 5.060 30 10 IKEE CC1(C)C[C@@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN1Cc1ccccc1 2339574682 LNABULIUXUPHAF-JOCHJYFZSA-N 433.405 5.191 30 10 IKEE C=CCN(CC[C@@H](NCC)c1cc(C)cc(Br)c1OC)C(=O)OC(C)(C)C 2365246492 RCTSPZYSHSFMMF-GOSISDBHSA-N 441.410 5.230 30 10 IKEE COCCCCCCSCc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1 2377313539 CWQPVIICSDNLRT-UHFFFAOYSA-N 443.256 5.188 30 10 IKEE CC(C)c1ccc(S(=O)(=O)/N=C2\C=C(Nc3ccccc3)C(=O)c3ccccc32)cc1 3276093 XBEZSWZEZQMKHC-SLEBQGDGSA-N 430.529 5.180 30 10 IKEE COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc3ccccc23)c1 21255627 UXOZTIICNQGBSD-URAOTHONSA-N 446.550 6.828 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)OCCCC)cc3)o2)SC1=S 33399109 OLCIRABIBFEORJ-RGEXLXHISA-N 427.547 5.291 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1ccc(C(C)(C)C)cc1 40095861 UKIIYWRDPZRVBG-OSPHWJPCSA-N 447.575 5.686 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4cc5ccccc5o4)cc(C)c3C2=O)cc1 41352571 SMNLIXQFIWYIEN-UUYOSTAYSA-N 426.424 5.585 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(CCc3cccs3)C4)C2=O)cc1 41587394 JMFBMIBIQSGZNY-QRVIBDJDSA-N 447.556 5.466 30 10 IKEE O=C1/C(=N\c2cccc(F)c2)c2ccccc2N1CN(C1CCCCC1)C1CCCCC1 59378434 MPECQJSEDRSCHL-WCTVFOPTSA-N 433.571 6.218 30 10 IKEE O=C1/C(=C/c2ccc(-c3ccccc3)cc2)Oc2c1ccc1c2CN(C2CCCCC2)CO1 94993396 UYJCFJNWGIPQSF-PKAZHMFMSA-N 437.539 6.454 30 10 IKEE Cc1ccc(-c2nc3sc(C)c(-c4ccccc4)c3c(=O)n2Cc2cccc(C#N)c2)cc1 96532729 DGVFJGVNCLQDRT-UHFFFAOYSA-N 447.563 6.329 30 10 IKEE C/C(=N\OCc1ccccc1C)c1cc(-c2ccc(F)cc2)n(-c2cccc(C)c2)c1C 97629502 KWDOIYRZCIZQHJ-MWAVMZGNSA-N 426.535 7.149 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1F 100443422 HSVGIAWWPRBEDN-UHFFFAOYSA-N 425.570 6.248 30 10 IKEE O=C(/C=C\c1cccc(O)c1)C(C(=O)/C=C/c1cccc(O)c1)=C1SCCCCS1 101461071 WUAJFLDSHPHBDV-DSOJMZEYSA-N 438.570 5.434 30 10 IKEE CCCCCCCn1c([C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)nc2ccccc21 102104972 JGCVZHLXZUSGPX-LJQANCHMSA-N 433.552 5.298 30 10 IKEE CCCCCCCCCCCCCCCCn1c([C@@H](C)NC(C)=O)nc2ccccc21 102116695 OKXZPLONGICEIG-HSZRJFAPSA-N 427.677 7.715 30 10 IKEE CCCCCCCCCCCCCCCCn1c(CCNC(C)=O)nc2ccccc21 102135691 YKBDESCBRDQYSK-UHFFFAOYSA-N 427.677 7.196 30 10 IKEE CCCCCCCn1c([C@H]2CC(=O)N(c3cc(OC)ccc3OC)C2)nc2ccccc21 102204638 KUUCDLCTBZFHQS-IBGZPJMESA-N 435.568 5.544 30 10 IKEE Cc1ccc(/C=C2/Oc3cc(OC(=O)N(c4ccccc4)c4ccccc4)ccc3C2=O)cc1 103022288 DJGZNIWQEZUDTO-OVVQPSECSA-N 447.490 6.948 30 10 IKEE O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@@H](c2ccccc2)/C1=C(/O)c1ccc(F)cc1 103227927 IYICTCVVUAHZNQ-LCPUNJGISA-N 448.450 5.201 30 10 IKEE CN1/C(=C2\S/C(=N/C3CCCCC3)N(C3CCCCC3)C2=O)Sc2ccccc21 107778694 QDBBGXGYZMJDNC-BQAVYGMZSA-N 427.639 5.994 30 10 IKEE CC1(C)CC(=O)C=C(Nc2ccc(C34C[C@H]5C[C@@H](CC(Br)(C5)C3)C4)cc2)C1 139135686 RBMNTCWQBVVXLA-WADIDORASA-N 428.414 6.357 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccc(F)cc2)cc1 169922035 RLZWRGAMFRCOPT-HSZRJFAPSA-N 443.430 5.363 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(N(C)C)cc2)c1 169952985 GDJIWRNACBSIQU-HSZRJFAPSA-N 446.934 5.497 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2cccs2)s1 169983199 PMSVRPXVAXEHKN-IBGZPJMESA-N 438.574 5.728 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1c[nH]c2ccccc12)c1cccc(Cl)c1 170073654 UUEOFKKSRABPGX-JOCHJYFZSA-N 446.865 5.743 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccccc2C)ccc1F 170087196 HUDMBPQMZKPPED-XMMPIXPASA-N 444.506 5.291 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1c1cccc(Cl)c1 170106833 MEOBPJSRMVOTTL-HXUWFJFHSA-N 448.931 5.974 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1Cc1ccc(F)cc1 170107897 OALGBUHWSYWVQT-NRFANRHFSA-N 446.503 5.455 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C2CCCCC2)c1 170145375 OMAYMUAISMQFRM-RUZDIDTESA-N 425.528 6.059 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@H]1c1cccs1 170161036 OTXVJAQYLXKJGE-NRFANRHFSA-N 444.512 5.028 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cccs1 170166782 XCWJZHCDXVQXRR-GOSISDBHSA-N 431.941 5.239 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccccn1 170176290 JZQFMCQJSHGYEX-DEOSSOPVSA-N 442.515 5.208 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccccc2)cc1C 170223848 HHNGUTMWNZMNTO-XMMPIXPASA-N 427.500 5.403 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccccc2)cc1C 170225305 KPVAQMCECKSITQ-CJAUYULYSA-N 439.511 5.410 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2)cc1C(C)C 170227138 HPKKYHSAVJZGIP-RUZDIDTESA-N 441.527 5.910 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@@H]1c1ccccc1 170228696 OHOAWEJXMGYOGO-VWLOTQADSA-N 441.527 5.813 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)c(Cl)c2)[C@H]1c1ccccc1 170232975 YAXQHMKOBFULCU-LJQANCHMSA-N 448.346 5.771 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@H]1c1ccc(Cl)c(Cl)c1 170246640 JHJIIJOZCOSSPV-HXUWFJFHSA-N 448.346 5.689 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccc2F)cc1 170249727 DPQGTLRPPUGUGB-XMMPIXPASA-N 445.490 5.706 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 170265901 LCDIQUMUIGDFJY-SQJMNOBHSA-N 441.527 5.160 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccco1 170290097 KLPBMYXSPZGLDK-LJQANCHMSA-N 438.277 5.133 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)c(OC)cc3C)[C@@H]2c2ccc(C)o2)c1 170297889 BDLPFZNZEBGBLS-QHCPKHFHSA-N 447.487 5.005 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1sccc1C 170315357 JRJHKHMWYZOPIU-HXUWFJFHSA-N 437.492 5.296 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(O)cc1)c1cccs1 170341212 TVYCPRITHWRLPB-GOSISDBHSA-N 445.418 5.255 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C)cc2C)ccc1OC 170441332 ARHYTFXUIDWSTC-HSZRJFAPSA-N 447.487 5.087 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc(Oc2ccccc2)c1 170456999 ZQZYRMBQKXAMEX-QHCPKHFHSA-N 442.515 5.385 30 10 IKEE O=[N+]([O-])c1cc(C=Nc2ccc3sc(-c4ccc(Cl)cc4)nc3c2)ccc1Cl 252642512 ZMPNGLHGFGEGBT-UHFFFAOYSA-N 428.300 6.929 30 10 IKEE CN1/C(=C2\SC(=Nc3ccc(O)cc3)N(c3ccccc3)C2=O)Sc2ccccc21 254738059 FJBYRSYQUVIOPF-QLMUGPIMSA-N 431.542 5.571 30 10 IKEE Cc1cc(C)c(N=C2[C@H](N3CCCCC3)C3(CCCCC3)C(=O)N2c2ccccc2)c(C)c1 254839599 BYFFSGOEORCNAM-SANMLTNESA-N 443.635 6.494 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)cc1)NCCC 406439178 JVKWHVUHMMUIPU-RTBURBONSA-N 425.411 5.219 30 10 IKEE CCOc1cc([C@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)ccc1O 526491524 PGNOBTREESKKPF-DEOSSOPVSA-N 426.472 5.028 30 10 IKEE COc1cccc(/C=N\n2c(C)nnc2SCc2c(Cl)cccc2Cl)c1OC 526815075 VCZLOSVAKYEKIX-YVNNLAQVSA-N 437.352 5.085 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccccc1OCC(C)C 526821211 GWHLRGWAMWSWFR-YUMHPJSZSA-N 444.604 6.203 30 10 IKEE CN(Cc1ccccc1)C(=O)Nc1cccc(C(=O)Nc2scc(C(C)(C)C)c2C#N)c1 586684727 NRIWZNGOHAGKSB-UHFFFAOYSA-N 446.576 5.833 30 10 IKEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(Cl)ccc1Br 698374753 MFZTYUHFOHUBSH-QGZVFWFLSA-N 444.801 5.246 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@H](C#N)c1cc(F)cc(Br)c1 698869175 RVCAXATZTJQCRS-SFHVURJKSA-N 425.342 6.113 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2ccc(C)cc2Br)cc1 698955407 FWTYPPQZMKWGJG-LJQANCHMSA-N 431.330 5.773 30 10 IKEE CCCCCCC[C@@](C)(CN)N(C(=O)OC(C)(C)C)c1ccccc1Br 700525272 SVHSXJHLXBJEPM-NRFANRHFSA-N 427.427 6.269 30 10 IKEE C[C@@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)CN1C(=O)OC(C)(C)C 710727828 WIVNBCQFJIPFLH-HOYKHHGWSA-N 435.609 5.628 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 724090239 QRRQYOSYAWMJBY-XDHUDOTRSA-N 447.551 5.544 30 10 IKEE C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(CCC)cc2)[n+]2cc(O)ccc2C)c1 797799898 PQLOISTXPOKNCT-UHFFFAOYSA-O 429.565 5.245 30 10 IKEE COc1ccc(-c2nc(N=Cc3ccccc3Cl)sc2-c2ccc(OC)cc2)cc1 1084102518 LCERWMXKKCAQRK-UHFFFAOYSA-N 434.948 6.898 30 10 IKEE CSc1nc2ccc(N=Cc3ccc(-c4ccc(Br)cc4)o3)cc2s1 1084320867 BASNHBZNMFCJLT-UHFFFAOYSA-N 429.364 6.791 30 10 IKEE O=C1C(=NNc2cccc(Cl)c2)c2ccccc2N1C(c1ccccc1)c1ccccc1 1084379332 HQEMWHATNDANTB-UHFFFAOYSA-N 437.930 6.292 30 10 IKEE Cc1ccc(C)n1-c1ccc(C=NNc2c(Cl)cc(C(F)(F)F)cc2Cl)cc1 1088698632 KLHJBJFSHNHURK-UHFFFAOYSA-N 426.269 6.866 30 10 IKEE O=C(Nc1ccc(Br)cc1)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1088702280 DXWFCYKRROXKBG-UHFFFAOYSA-N 434.052 5.423 30 10 IKEE CC(=O)O[C@H]1CC[C@]2(C)C(=CC(=O)[C@@H]3[C@H]2CC[C@@]2(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]32)C1 1565537797 PMBSWZWCNKVWLV-GHMLWNJSSA-N 442.684 7.139 30 10 IKEE O=C1/C(=C/c2cccc3ccccc23)SC(=Nc2cccnc2Cl)N1C1CCCCC1 1772733554 NVMIRHWBFVMQRT-KOKPDDJTSA-N 447.991 6.825 30 10 IKEE O=C1/C(=C/c2c[nH]c3ccccc23)SC(=Nc2cccnc2Cl)N1c1ccccc1 1772734773 QWNSCEXMBZOZKF-KZVRHOHFSA-N 430.920 6.025 30 10 IKEE CCOc1cc(C(=O)Nc2ccc(Nc3cccc(C#N)c3)nc2)cc(OCC)c1OCC 1858427246 XEADILDUNGOQKL-UHFFFAOYSA-N 446.507 5.145 30 10 IKEE N#Cc1cccc(NC(=O)Oc2cccc3c(NC(=O)CCC4CCCCC4)cccc23)c1 1858775105 MTGWXUUOHLLIFV-UHFFFAOYSA-N 441.531 6.621 30 10 IKEE O=C(CNCc1ccccc1C(F)(F)F)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1860717329 HQWDEIWGOOEHBP-UHFFFAOYSA-N 444.297 5.471 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)c1ccc(-c2ccccc2)cc1 1861474453 JRVXSJHZDDLJJP-NDEPHWFRSA-N 436.640 6.509 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CC)NC(=O)CCCOc1ccc(C(C)(C)C)cc1 1861694525 ZGTAQFKUEXQQJY-HSZRJFAPSA-N 432.649 5.515 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](CSCc1ccccc1)NC(=O)c1cccc2ccccc12 1862237742 PQEODLZCZSIYBR-RUZDIDTESA-N 444.600 5.072 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(F)c(C)c2)n(-c2ccc(Cl)c(Cl)c2)n1 1862348680 VTRTVXHIRVCBLM-UHFFFAOYSA-N 444.337 6.108 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2ccccc2C)cc1C 1862400731 LBPPVJPXDMKZBZ-VWLOTQADSA-N 441.527 5.399 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C 1862404913 IGYMTDKTDSFGNV-XMMPIXPASA-N 447.575 5.822 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@H]2c2ccccc2F)cc1 1862411712 NLFLDBNYFZJNOY-JOCHJYFZSA-N 437.417 5.191 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862431278 DBOXUZUUUDOBBR-HSZRJFAPSA-N 449.909 5.820 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccc(F)cc1)c1c(F)cc(F)cc1F 1862457666 UZZVSEPCPPKFOI-NRFANRHFSA-N 447.428 5.544 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2c(F)cccc2Cl)cc1 1862481145 XWWSWPIMSRIVGR-HXUWFJFHSA-N 425.843 5.159 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc3cc[nH]c3c2)ccc1F 1862504512 WBKJCNYEVIDRFQ-DEOSSOPVSA-N 446.522 5.917 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccccc1 1862604811 IJPZIWDZQKJXEZ-XMMPIXPASA-N 449.547 5.397 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1cccc2ccccc12 1862620620 VXZGQYZORVDHBZ-DEOSSOPVSA-N 427.544 6.126 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2[C@H](C)CC)c1 1862669361 UMXMUVNRRIZKIW-KOSHJBKYSA-N 435.564 5.976 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCc2cccs2)cc1 1862673538 MHSZFYLCUIXZSH-JOCHJYFZSA-N 435.520 5.271 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1c(F)cccc1Cl)c1ccc(F)cc1 1862678531 SFGJKFKFHKYBQF-OAQYLSRUSA-N 439.845 5.397 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2Cc2cccs2)cc1 1862688602 XKSOLXCIGKQUEE-QFIPXVFZSA-N 433.529 5.098 30 10 IKEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@H]2c2ccccc2C)cc1 1862733332 RCWJXPLRURCTNG-DEOSSOPVSA-N 435.564 5.942 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(F)cc3Cl)C2=O)cc1C 1862883760 ZOXVPZOSZXQNGZ-UHFFFAOYSA-N 445.881 5.364 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc3c2CCCC3)=C(c2ccc(F)cc2)C1=O 1863152342 WEOMRIXCTONMBE-UHFFFAOYSA-N 448.582 6.257 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C(C)=O)c2)=C(c2ccc(OC)cc2)C1=O 1863328590 HPQPTKNOQSZIFA-UHFFFAOYSA-N 448.563 5.450 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N1CCN(C(=O)c2ccco2)CC1 1866342158 BHCXTIBQCSULIQ-UHFFFAOYSA-N 446.676 6.826 30 10 IKEE C[C@H](CC(=O)N[C@@H](C(=O)Nc1ccccc1C#N)c1ccccc1)c1ccc(Cl)cc1 1866716714 YPUVCIMCIRRTJB-MZNJEOGPSA-N 431.923 5.201 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)CCCCCCCC)n(-c2ccc(Cl)cc2)n1 1870002614 REMHRQAXDVBGMR-UHFFFAOYSA-N 429.996 5.788 30 10 IKEE CCCCCCCCn1cc(OCCCCCCC)c(=O)cc1CSc1ccccc1 1870251912 WPUWYACASXLBSR-UHFFFAOYSA-N 443.697 7.850 30 10 IKEE C#CCOc1cn(CCCCCCCCCC)c(CN2CCc3ccccc3C2)cc1=O 1870563760 ODBGAGUHGREZHH-UHFFFAOYSA-N 434.624 5.559 30 10 IKEE C=CCn1cc(OCc2ccc(F)cc2)c(=O)cc1CN(CCCC)CCCCCC 1870623268 MOHREIUGBQJECO-UHFFFAOYSA-N 428.592 5.935 30 10 IKEE C=CCn1cc(OCc2ccccc2)c(=O)cc1CNc1ccc(Cl)c(C(F)(F)F)c1 1870894471 CCMORRHACZUEHH-UHFFFAOYSA-N 448.872 5.898 30 10 IKEE CCCCCCCCn1cc(OCCCCC)c(=O)cc1CNc1ccc(Cl)cc1C 1871129983 BIOCPGOZRKVWJF-UHFFFAOYSA-N 447.063 7.352 30 10 IKEE CCCCCCCCCCNS(=O)(=O)c1nc(-c2ccccc2)oc1-c1ccccc1 1871288607 XXHCOXVOJXEDEM-UHFFFAOYSA-N 440.609 6.428 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(C(C)(C)C)cc1)C3=O)CN([C@H]1CCCC[C@H]1C)CO2 1871356108 VMXHXVSVYWLXHI-WYMGQRMQSA-N 445.603 6.639 30 10 IKEE Cc1cc(OC(=O)c2ccccc2[N+](=O)[O-])cc2c1C(=O)/C(=C/C=C/c1ccccc1)O2 1871369603 UEHUBYWXRVDJDE-VIBAAIGISA-N 427.412 5.295 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OC(=O)Cc4ccc(F)cc4)ccc3C2=O)c2ccccc21 1871371784 IUUBBECJLAVNIB-QFEZKATASA-N 441.458 5.565 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1 1871375494 OBFGYMXRGLNYOI-YSMPRRRNSA-N 442.511 5.973 30 10 IKEE CN(C)c1ccc(/C=C2\Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc3C2=O)cc1 1871380744 FJOJETNITKBHEH-QRVIBDJDSA-N 449.890 5.007 30 10 IKEE Cc1cc(OC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc2c1C(=O)/C(=C/c1ccncc1)O2 1871384889 OGHJZKNSSIDLDC-BKUYFWCQSA-N 449.890 5.423 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2OCC)C3=O)c1 1871387686 JOGRIIRQEKMAKB-XYGWBWBKSA-N 444.483 5.710 30 10 IKEE Cc1c(OCCCOc2ccc(Cl)cc2)ccc2c1O/C(=C\c1ccc(F)cc1)C2=O 1871404409 AOIFZLNKULVYOK-HAHDFKILSA-N 438.882 6.252 30 10 IKEE COc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 1871412641 XPFPMHMYIAHSFK-IWOOZGEASA-N 441.483 5.274 30 10 IKEE COc1ccc(OC)c(-c2c(C)c3ccc(OCc4ccccc4C#N)cc3oc2=O)c1 1871437201 LMRFTOQNASRVAW-UHFFFAOYSA-N 427.456 5.236 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(F)cc3)n2)cc1OCCC 1872766966 MKHZUPMVXQTEPZ-LJQANCHMSA-N 438.524 6.017 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(Cl)cc3Cl)n2)cc1 1872768445 SULQKVKGFLMOGN-MRXNPFEDSA-N 447.343 5.771 30 10 IKEE COc1ccc(C)cc1-c1csc([C@@H](C#N)C(=O)c2cc([N+](=O)[O-])ccc2Cl)n1 1872770723 CMYGJAPOOYRWMA-HNNXBMFYSA-N 427.869 5.179 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)c2cccc(OC(C)=O)c2)n1 1872777900 YZPATKYSIAVKRQ-HXUWFJFHSA-N 448.544 5.532 30 10 IKEE CCCCCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc1 1872779667 OPAKDJORAJEMEN-IBGZPJMESA-N 440.515 6.537 30 10 IKEE COc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc1OC 1872780558 JWWGHCDFHRBMHD-FNQPIQQGSA-N 448.544 5.342 30 10 IKEE CCOc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1 1872785926 WXHZOFCWTVMRIB-JOCHJYFZSA-N 432.589 6.234 30 10 IKEE N#Cc1ccc(NC(=O)c2ccc3nc(COc4ccc(Cl)cc4Cl)[nH]c3c2)cc1 1872804771 JRNCCMQPOUUJEE-UHFFFAOYSA-N 437.286 5.573 30 10 IKEE CCCCCCCCNC(=O)c1ccc(CN2CCN(c3ccccc3Cl)CC2)cc1 1872884804 QPNNYWATBWNZRD-UHFFFAOYSA-N 442.047 5.753 30 10 IKEE N#Cc1nc([C@H]2C[C@@H]2c2ccccc2)oc1N/N=C/c1cccc(OC(=O)c2ccco2)c1 1873470518 KBGCGPXOSPDZFP-QSHKUHANSA-N 438.443 5.076 30 10 IKEE C=C(C)CSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1ccc(Cl)cc1 1874246191 QXYWIJGTSXQILL-MFKUBSTISA-N 441.000 5.802 30 10 IKEE CCSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1ccc(C(C)(C)C)cc1 1874261915 YURAKFPNCFUVMW-DHRITJCHSA-N 430.524 5.427 30 10 IKEE C=CCSc1nnc(COc2ccccc2Cl)n1/N=C/c1cn(C)c2ccccc12 1874267763 NVKJIXIJVHDKIR-ZMOGYAJESA-N 437.956 5.163 30 10 IKEE CCCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccccc1OC(C)C 1874279307 DUEOYRLZIUXERU-PCLIKHOPSA-N 443.016 5.888 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2/N=C/c2ccc(OC)c(O)c2)CC1 1874287670 QYCIUHAKFCTEDM-LFVJCYFKSA-N 430.618 5.841 30 10 IKEE C=C(C)CSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1ccc(O)c(OC)c1 1874288221 SYERYXNFXWWDND-MFKUBSTISA-N 442.629 6.007 30 10 IKEE CCCSc1nnc(Cc2ccc(OCC)cc2)n1/N=C/c1cccc2ccccc12 1874304404 WYCMKWUZKOABBM-NLRVBDNBSA-N 430.577 5.805 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCOc3ccccc3)n2/N=C/c2cccs2)c1 1874346289 HAQIGRKHGKKYME-PCLIKHOPSA-N 448.617 5.752 30 10 IKEE Fc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2/N=C/c2ccc[nH]2)cc1 1874381194 GYTAFUZUJBTNJJ-DHRITJCHSA-N 425.920 5.164 30 10 IKEE Cc1cccc(/C=N/n2c(CCc3ccccc3)nnc2SCCc2ccccc2)c1 1874403719 OSPKJIGMTNTTJL-NHFJDJAPSA-N 426.589 5.589 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2-c2cccs2)cc1 1874421204 ZWIQSHIXNPCHOU-AFUMVMLFSA-N 436.581 6.444 30 10 IKEE COc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2cccc(Cl)c2)cc1 1874440497 DSQVRRQLKJHCBV-ZVHZXABRSA-N 428.989 5.703 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccco3)n2/N=C/c2cc(Cl)ccc2O)c1 1874466848 FIDGVYGYNMQPPV-WYMPLXKRSA-N 438.940 5.688 30 10 IKEE CCOc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2C2CCC2)cc1OC 1874495753 CQVMSTKTRXOGTA-KOEQRZSOSA-N 436.581 5.170 30 10 IKEE Sc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874566444 XBQXBSPFJHYKKA-WGOQTCKBSA-N 448.979 5.467 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Br)ccc2OCc2cccc(F)c2)c1 1874572496 QCNHUFFHLQXXNL-CSKARUKUSA-N 441.296 6.072 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cc(Cl)ccc1OCc1ccc(F)cc1 1874590779 UBCDEAQVRPAYJG-MDWZMJQESA-N 436.954 7.560 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1OCc1ccccc1Cl 1874593773 BEYVYNUEQNVBIE-UXBLZVDNSA-N 447.745 7.131 30 10 IKEE C=C(C)COc1c(OC)ccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)c1Br 1874599296 GCZYRGULALNMJA-VQHVLOKHSA-N 445.353 5.934 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3cccc4ccccc34)c([N+](=O)[O-])c2)cc1 1874609489 UNTUZHGEECEKAM-OQLLNIDSSA-N 439.467 6.232 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1 1874613999 YIAFCILILJRJEB-OVCLIPMQSA-N 427.327 6.867 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)ccc1OCc1ccccc1 1874627925 CSBRJNPPBKPCAI-LDADJPATSA-N 436.507 6.963 30 10 IKEE COc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3cc(C)c(Cl)cc3OC)c2)cc1 1874715330 OITYAHFCZRCJEK-KPKJPENVSA-N 436.891 5.781 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 1874715754 KQAHBZRKGSQVEQ-OQLLNIDSSA-N 432.947 7.061 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccn2)c(Br)c1)c1ccc(Cl)cc1 1875125839 DAKKQSNHKWADAS-ONNFQVAWSA-N 442.696 5.613 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC(=O)C(C)C 1875132918 UXRGETYBUHJSTJ-JXMROGBWSA-N 433.331 6.188 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2Cl)cc1)c1ccc(Cl)c(Cl)c1 1875133966 HFJOYKYHSITPPH-KPKJPENVSA-N 431.702 6.762 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccs3)c(Br)c2)cc1 1875135785 HRITUXRONYJPOL-UXBLZVDNSA-N 427.319 5.934 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)[C@@H]1CCCO1 1875142266 SENOEWUKDJQUON-ZGBFETHSSA-N 432.875 5.167 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2cccs2)c(Cl)c1 1875143006 DTKBISMWLRVFGU-SOFGYWHQSA-N 426.921 5.763 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC(=O)Cc1ccc(F)c(C)c1 1875144057 DAWNYXGYBWGVAD-JXMROGBWSA-N 448.490 5.504 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1Cl 1875148219 HEPXXUXORKYVIG-OQLLNIDSSA-N 432.947 7.061 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccccc1F 1875150177 AECCVBLJFRNIJP-OQLLNIDSSA-N 432.491 6.247 30 10 IKEE COc1ccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2)cc1 1875176062 UREYCMSSVXXYQK-RQZCQDPDSA-N 444.527 5.973 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](Cc2cc(Cl)cc(Br)c2)NCC)C1 1892684328 LEVVYKNNNPVYSO-QGZVFWFLSA-N 443.813 5.237 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1c(F)ccc(NC(=O)OC(C)(C)C)c1F 1922090837 CWGVFZBHQQHJPU-HSZRJFAPSA-N 446.538 6.126 30 10 IKEE CC[C@@](C#N)(CCNC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1936966572 XWRZKYYXHGJJCF-QFIPXVFZSA-N 437.968 5.669 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc([C@@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)c1 1944063141 GSDBGTTURPTMJQ-LJQANCHMSA-N 443.569 6.097 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@@]1(C#N)CC(C)(C)[C@H]1OCc1ccccc1 1950403684 SEFPVPQMUPAEEV-PXDATVDWSA-N 440.971 6.359 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2)NCC 2006451438 UHRXJYQYVFRBIK-RJGXRXQPSA-N 428.617 5.211 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)C12CCC(CC1)N(C(=O)OC(C)(C)C)C2 2009103675 RQHLLPFEFHELOZ-VVCJCJSVSA-N 428.617 5.307 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)C1(C)C 2013407803 OXYLPOUWKZEPPR-HXOBKFHXSA-N 449.979 5.667 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCC[C@H]2CNC(=O)OC(C)(C)C)c1 2032225064 PRPIDEWNDDIFFG-BXKMTCNYSA-N 445.560 5.024 30 10 IKEE C=CCN(CC[C@H](NC)c1ccc(Br)c(Cl)c1F)C(=O)OC(C)(C)C 2037960325 LILGNZDAGPYPIP-AWEZNQCLSA-N 435.765 5.315 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)cc(Br)c1)NC 2047965566 QYIYYAYAWPSRGI-SJORKVTESA-N 431.802 5.093 30 10 IKEE CC(C)c1nn([C@H](c2ccc(C(F)(F)F)c(F)c2)C2CC2)c(Br)c1C=NO 2079976676 AYDXTQKGOUNOMM-INIZCTEOSA-N 448.258 5.734 30 10 IKEE CC[C@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)(F)F)c(C#N)c1Br 2080056326 RUESHVPKCAEQFG-LLVKDONJSA-N 444.148 5.693 30 10 IKEE N#Cc1ccc(NCc2cc(Br)ccc2Br)cc1Br 2088091871 BQGPAAOUADVANE-UHFFFAOYSA-N 444.952 5.458 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2sc(C)cc2Br)c1 2089743414 KTDONYQTYKKURM-MRXNPFEDSA-N 437.359 5.834 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)c(Cl)c1 2103314767 QVXKOYIQSKPVPA-MSOLQXFVSA-N 445.829 6.003 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]1CCCNc1ccc(C#N)c(Br)c1F 2106035411 DIRDMUQYUFSECT-CQSZACIVSA-N 426.330 5.051 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(F)cc(C)cc1Br 2116827270 ANMUIMDUZUNADF-AEFFLSMTSA-N 429.374 5.407 30 10 IKEE CC(C)(C)OC(=O)NC(C)(C)c1ccc(Nc2cc(Br)cc(C#N)c2)cc1 2162296429 LJGQDZMNULCLAP-UHFFFAOYSA-N 430.346 5.824 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@](C#N)(Nc3cccc(Br)c3)C[C@H]21 2166981179 YFXYLMORXYYKOQ-FPDPHYFHSA-N 434.378 5.323 30 10 IKEE CC(C)(C)OC(=O)NCCCN(C[C@@H](C#N)C1CCC1)c1cccc(Br)c1 2174565306 LXKPYJQJGZYSPS-QGZVFWFLSA-N 436.394 5.110 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(F)cc1C(=O)Nc1ccc(Br)c(C#N)c1 2180957999 UUETWCCALUOKJQ-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE N#CC[C@H](C(=O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1ccccc1 2191337497 ULGPSVMOCZYSEI-MHZLTWQESA-N 447.534 6.725 30 10 IKEE CN(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@H]1N(C)c1ccc(C#N)c(Br)c1F 2203604870 APCQZIZFJKSJJA-HUUCEWRRSA-N 440.357 5.074 30 10 IKEE C#C[C@@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC 2210709503 GYMYNODNZARHNR-DYLHXGEVSA-N 446.591 5.104 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(F)cc(F)cc1Br 2225594616 CFFREHNSCFHHKC-DOTOQJQBSA-N 433.337 5.237 30 10 IKEE C=CCCC1(C(=O)c2c(C)sc(C)c2Br)CN(C(=O)OC(C)(C)C)C1 2254925876 CASWPFXSTQSDCD-UHFFFAOYSA-N 428.392 5.513 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CSc1cc(Br)cc(F)c1C#N 2260369056 SDXQTCRZWXRMMH-IAQYHMDHSA-N 429.355 5.197 30 10 IKEE O=C(C#Cc1ccc(Br)cc1)c1cc(Br)sc1Br 2264166698 AMPWROHIVGFNRK-UHFFFAOYSA-N 448.961 5.270 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(F)c(C(=O)N(Cc2ccccc2)C2CCCC2)c1 2267165148 AWYSZBBQKKBOBA-UHFFFAOYSA-N 437.364 5.018 30 10 IKEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@H](NC(=O)OC(C)(C)C)c1cccs1 2296217434 UMMHYNJRIPYOOY-HKUYNNGSSA-N 449.414 5.106 30 10 IKEE CC[C@@H](CCNC(=O)OC(C)(C)C)CC[C@@H](C#Cc1cccc(Br)c1)NC 2296217498 VGGUFRXOFMJODU-XLIONFOSSA-N 437.422 5.110 30 10 IKEE O=C1C(=Cc2ccc(Br)o2)SC(=Nc2ccccc2)N1c1ccccc1 2297296154 RPATUCQHNBLEPW-UHFFFAOYSA-N 425.307 5.851 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(OCCCOc3cc(C)cc(C)c3)cc2)SC1=S 2297624719 GXNSJMXKRWJEEN-UHFFFAOYSA-N 439.602 5.539 30 10 IKEE O=C1C(=Cc2cccn2-c2ccccc2)SC(=NC2CCCCC2)N1C1CCCCC1 2313546016 WICUPHOWZZISEL-UHFFFAOYSA-N 433.621 6.415 30 10 IKEE C=CCOC(=O)C=Cc1cc(Cl)c(OCc2cccc(Br)c2)c(OC)c1 2314019376 GDUHIZRDYFGRQK-UHFFFAOYSA-N 437.717 5.433 30 10 IKEE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2Oc3ccc(C)cc3C2=O)c(C)c1 2314519711 ZLMHCBOMBSFMPW-UHFFFAOYSA-N 448.522 6.337 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]1CSc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317312522 INPTYLMSMDQFQP-SFHVURJKSA-N 446.422 5.218 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@H](C#N)[C@]1(C)CCCCN1C(=O)OC(C)(C)C 2318947190 RJSFVEOHXDXXAO-DVECYGJZSA-N 447.551 5.639 30 10 IKEE COc1ccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3cccs3)C4)C2=O)c(OC)c1 2322307999 UKRRRRZPDJFWAL-UHFFFAOYSA-N 449.528 5.042 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OC(=O)COc4ccccc4)ccc3C2=O)cc1 2322948683 YTGBYPDDFUSUIO-UHFFFAOYSA-N 443.499 5.133 30 10 IKEE CCCN(CCC)C(=O)COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OC 2323049394 KJHOFODDHWJGNJ-UHFFFAOYSA-N 449.591 5.498 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1cccc(OCc2cccc(F)c2)c1 2323258954 JGCIYFDDBBCNEF-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE Cc1cc(C(=O)Oc2cc(C)c3c(c2)OC(=CC=Cc2ccccc2)C3=O)ccc1[N+](=O)[O-] 2323280291 XVGAKKHZRUBTPZ-UHFFFAOYSA-N 441.439 5.603 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCc3ccccc3Cl)c2)c2ccccc12 2323331597 TWSDWWXANGUWNV-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OC(=O)C(Cl)=Cc4ccccc4)c3C)C2=O)c1 2323441761 KRNROUMCNALOSE-UHFFFAOYSA-N 430.887 6.105 30 10 IKEE CCOc1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccnc2)C3=O)cc1 2323511802 RTNUFBXTVHAWLX-UHFFFAOYSA-N 427.456 5.024 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1C 2323802614 PGUFTEZNEJASKA-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OCc1ccc(C(=O)OC)o1 2323816234 SKIPGTPIQJJMNH-UHFFFAOYSA-N 432.472 5.278 30 10 IKEE CCCCCOc1ccc(C=NNc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 2323874404 QCESFJVOXHDVDQ-UHFFFAOYSA-N 425.554 5.842 30 10 IKEE Cc1ccc(C=C2Oc3c(CN4C[C@@]5(C)C[C@H]4CC(C)(C)C5)c(O)cc(C)c3C2=O)cc1 2324097637 MVLSSIKCVDFCNB-NGOKVRLYSA-N 431.576 6.026 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(OC)c1OCc1ccc(F)cc1 2324097942 XXFYCFWNJDXXSD-UHFFFAOYSA-N 446.474 5.767 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OCc2cc(C)ccc2C)cc1 2324220119 NYPOGMRYMZRRRX-UHFFFAOYSA-N 428.572 7.085 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OCc1cccc(F)c1 2324335592 OCFUJBUGDJPFDN-UHFFFAOYSA-N 448.534 6.552 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCCOc4ccc(OC)cc4)cc(C)c3C2=O)cc1 2324684533 ALDCHQRHAXQDEP-UHFFFAOYSA-N 430.500 5.640 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1cc(OC)ccc1OC 2325565304 PUYAGXHJQIRFKY-UHFFFAOYSA-N 446.576 5.576 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2sccc2C)C3=O)cc1 2325614057 BCQFZLNWYUMPAP-MRXNPFEDSA-N 447.556 6.204 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3ccc(C)cc3C)c2)cc1F 2325748549 QVYCWVZUFGIDPW-UHFFFAOYSA-N 434.463 5.332 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2cccc(OC(=O)CC3CCCCC3)c2)cc1Cl 2325766527 WTMLYAUNZWUZNS-UHFFFAOYSA-N 447.358 6.774 30 10 IKEE CCOc1cc(C=Nn2cnnc2SCc2ccc(F)cc2)cc(Cl)c1OCC 2326235047 JYDAEENJTOFFSJ-UHFFFAOYSA-N 434.924 5.043 30 10 IKEE CCOc1cc(C=Nn2c(C)nnc2SCc2ccccc2F)cc(Cl)c1OCC 2326264526 VATOHJXTOURAID-UHFFFAOYSA-N 448.951 5.351 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SC)n1N=Cc1ccc(Cl)c(Cl)c1 2326426223 JIXHXLJEMYDBIF-UHFFFAOYSA-N 449.363 5.333 30 10 IKEE CCCCOc1ccc(C=Nn2c(C)nnc2SCc2ccc(Cl)cc2Cl)cc1 2326697814 DYNAVVMOLLRETF-UHFFFAOYSA-N 449.407 6.247 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc(N(C)C)cc1 2326707687 ANSOIEKRJBJVLB-UHFFFAOYSA-N 434.396 5.388 30 10 IKEE CCCSc1nnc(COc2cc(F)ccc2F)n1N=Cc1cccc2ccccc12 2327484811 DBNDXFNTZROJJN-UHFFFAOYSA-N 438.503 5.673 30 10 IKEE Cc1ccccc1CSc1nnc(COc2c(C)cccc2C)n1N=Cc1cccn1C 2328548178 PZWHWKZELGZDQT-UHFFFAOYSA-N 445.592 5.295 30 10 IKEE CCSc1nnc(CCc2cccc(OC)c2)n1N=Cc1ccc(C(F)(F)F)cc1 2328622022 BGGDFGNKNOONJS-UHFFFAOYSA-N 434.487 5.085 30 10 IKEE Clc1ccc(CSc2nnc(Cc3ccc(Cl)cc3)n2N=Cc2ccc[nH]2)cc1 2329121827 WUUKYJBUJUYVFY-UHFFFAOYSA-N 442.375 5.678 30 10 IKEE C=C(C)CSc1nnc(COCc2ccccc2)n1N=Cc1ccc(Cl)cc1Cl 2329339615 LSCSMFXGBIBCNW-UHFFFAOYSA-N 447.391 5.852 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2C)n1N=Cc1ccccc1OCCC 2329485073 KMZBSVUXIXBRNQ-UHFFFAOYSA-N 434.609 5.711 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3cccs3)n2N=Cc2cccc(O)c2)c1 2329667673 HODUSMIFGWCVFI-UHFFFAOYSA-N 448.617 5.622 30 10 IKEE CSc1nnc(Cc2ccc(F)cc2)n1N=Cc1ccc(OCc2ccccc2C)cc1 2329791866 MFRLRRRBIGIMLX-UHFFFAOYSA-N 446.551 5.500 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccc(F)cc3)n2N=Cc2cccc(F)c2)c1 2329842675 FODDGVSFGXBNGR-UHFFFAOYSA-N 448.542 5.938 30 10 IKEE Cc1cccc(CSc2nnc([C@H](C)c3ccccc3)n2N=Cc2ccc(O)cc2)c1 2330074521 KHYWUZVTJJLYEO-LJQANCHMSA-N 428.561 5.618 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)C=Cc1ccc(OC)c(OC)c1 2330075852 ZBNUCQATTYNSNT-AREMUKBSSA-N 446.632 5.259 30 10 IKEE C=C(C)CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2330101996 TVYIBJRJAQHZJN-HNNXBMFYSA-N 441.944 5.542 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2cccs2)n1N=Cc1ccccc1[N+](=O)[O-] 2330330566 JIBHQYVCHDXRTJ-UHFFFAOYSA-N 449.561 5.322 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)[C@H]1[C@@H]2CCC(F)(F)[C@@H]21 2330652602 NZSZCUJGBCOPRO-JONQDZQNSA-N 427.289 5.374 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)Cc3cc(C)ccc3C)c(Cl)c2)c1 2330778220 DIELBLYNQNZDJG-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3sccc3C)c(OCC)c2)cc1 2330842144 GPVVDQCFUMUOAL-UHFFFAOYSA-N 448.584 6.913 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1C 2330854893 VTTHLGAQOUAQPG-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)[C@H](C)c3ccccc3)c(OC)c2)cc1 2330959142 LURJSHRJTHTIIW-GOSISDBHSA-N 446.499 5.318 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)cc3)cc2Cl)cc1 2330961127 RBWAFUVHKAOJED-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE Clc1ccc(C=Nn2c(SCCc3ccccc3)nnc2[C@H]2CCCO2)c(Cl)c1 2330967954 ACTOSEDWBVZLID-LJQANCHMSA-N 447.391 5.653 30 10 IKEE Cc1ccccc1CSc1nnc(C2CCCC2)n1N=Cc1ccc(C(F)(F)F)cc1 2331030592 MJFFPKYSHOBCCW-UHFFFAOYSA-N 444.526 6.437 30 10 IKEE Oc1ccccc1C=Nn1c(SCc2c(Cl)cccc2Cl)nnc1C1CCCC1 2331081523 VCSJUUDDANOFFH-UHFFFAOYSA-N 447.391 6.123 30 10 IKEE Cc1cccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C(F)(F)F)c1 2331163122 YHRZKDWGKXTNOF-UHFFFAOYSA-N 428.842 5.572 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 2331352078 BNYSUFOFGXJAMW-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 2331417337 GSWDQYFWGOXZIX-UHFFFAOYSA-N 443.499 6.316 30 10 IKEE CC(C)COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCO4)cc2)cc1 2331432608 MRCJWGYZCHALOQ-UHFFFAOYSA-N 444.483 5.565 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cccc4ccccc34)cc2OC)cc1 2331484366 HTVDUOGTBXLGNA-UHFFFAOYSA-N 438.479 5.972 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] 2331498380 LCTNBBMAHWLADE-UHFFFAOYSA-N 429.472 6.142 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc(OC)c1OC(=O)C(F)(F)F 2331669858 FXAJVPJTVLMBGM-UHFFFAOYSA-N 448.437 5.413 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1OCC 2331863782 GWGDNQVPPXWVAA-UHFFFAOYSA-N 449.374 7.164 30 10 IKEE CCCN[C@@H](C#C[C@H]1CC1(C)C)c1ccc(Br)cc1I 2365096180 NRWJFFTYTZXLOM-LRDDRELGSA-N 446.170 5.144 30 10 IKEE CCN1/C(=C2\S/C(=N\Cc3ccccc3)N(C3CCCCC3)C2=O)Sc2ccccc21 13286383 SFHIQUHDLCUJFF-ATEBTNOTSA-N 449.645 6.252 30 10 IKEE O=C1/C(=C\C=C\c2ccco2)S/C(=N\c2cccc(Cl)c2)N1c1cccc(Cl)c1 27230314 GTPLHNPPPHNSDI-QPYYPDRCSA-N 441.339 6.951 30 10 IKEE O=S(=O)(/N=C(/Nc1ccc(Br)cc1)c1ccc(Cl)cc1)c1ccccc1 27490125 WRPZCEAAMKJIPF-UHFFFAOYSA-N 449.757 5.350 30 10 IKEE O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C\c1ccc(N2CCCCCC2)o1 33382040 ZTACLTQPBXAYSE-VBKFSLOCSA-N 436.364 5.858 30 10 IKEE Cc1cccc(/N=C2/NC(=O)S/C2=C\c2ccc(-c3cccc(Cl)c3Cl)o2)c1 33568037 CKNDPZMYQBBVOP-WQRHYEAKSA-N 429.328 7.089 30 10 IKEE COc1cc(C(=O)Oc2ccccc2/C=C\C(=O)c2ccc(C)cc2)cc(OC)c1OC 34954338 YKONZOGJENKDFZ-YPKPFQOOSA-N 432.472 5.136 30 10 IKEE Cc1ccc2c(Cl)c(C(=O)c3c(C)c(C#N)c(=O)n(C4CCCC4)c3O)sc2c1 38617698 FQVLJFYVSAQXCE-UHFFFAOYSA-N 426.925 5.257 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OC(=O)Cc4cccs4)ccc3C2=O)cc1 62926580 AWEKSKDDCJKPKK-UCQKPKSFSA-N 433.529 5.359 30 10 IKEE CC(C)(C)c1ccc(Oc2ccc(/C=C\C(=O)c3ccc(C#N)cc3)cc2[N+](=O)[O-])cc1 97992970 IXEFSCWAUIVULW-NSIKDUERSA-N 426.472 6.452 30 10 IKEE COc1cccc2cc(C(=O)/C=C\c3csc(N(C(C)=O)c4cccc(C)c4C)n3)oc12 98000621 GPQIJOKWTGVQHC-QXMHVHEDSA-N 446.528 6.095 30 10 IKEE CCCCCCCOc1ccc([C@]2(CC)Nc3ccccc3C(=O)N2CCCOC)cc1 100136514 ZUXOWUXKYWDWLX-HHHXNRCGSA-N 438.612 6.203 30 10 IKEE CCCCCCOc1ccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N/c3ccccc3)S2)cc1 100172597 PFQBCXJTENJASF-MONKAWABSA-N 439.581 5.236 30 10 IKEE O=C(/C=C\c1ccc(O)cc1)C(C(=O)/C=C\c1ccc(O)cc1)=C1SCCCCS1 101461076 VYQAYQUBPWDQHR-PVRNWPCDSA-N 438.570 5.434 30 10 IKEE CCCCCCCCCCCCn1c(CCNC(=O)C(CC)CC)nc2ccccc21 102136420 DHHUXVGUBAPJJH-UHFFFAOYSA-N 427.677 7.052 30 10 IKEE C=CCn1c(C(=O)N(CC(=O)OCC)Cc2ccccc2)c(C)c2cc(C(C)C)ccc21 169863509 YXZVCXXTNYQMPD-UHFFFAOYSA-N 432.564 5.465 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@@H]1c1cccnc1)c1cccc(Cl)c1 170004781 TWQIWNOLAMATHO-LJQANCHMSA-N 443.261 5.310 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccco2)c1 170089520 MNRRUMVFUGQVLP-QHCPKHFHSA-N 442.471 5.333 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc(OC(C)C)c1 170153109 MUKWUHQOTKMUSQ-VWLOTQADSA-N 443.543 6.005 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2cccs2)cc1C 170158222 JORLCGUYDQZXSE-HSZRJFAPSA-N 447.556 5.773 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1cccnc1)c1cccc2ccccc12 170188524 YILWRIFPTZENRQ-QHCPKHFHSA-N 440.886 5.671 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccccc2)c(OC)c1 170226482 FNUZMDVSLSEJOF-QFIPXVFZSA-N 449.890 5.140 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)c1 170238480 RICHCXARXGXGBQ-HSZRJFAPSA-N 449.453 5.537 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccc(F)cc2)cc1 170239945 SHDYVZHBDSBBIS-VWLOTQADSA-N 437.470 6.070 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(F)cc1 170240209 DDIRIYFMFYZJOH-RUZDIDTESA-N 437.470 6.070 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(C(C)C)cc1 170245962 GMQWDRXTLXHLNS-SANMLTNESA-N 441.571 6.732 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccccc1F 170253405 SIZBPYPZMHGHDV-FQEVSTJZSA-N 429.875 5.009 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2c[nH]c3ccccc23)cc1 170254270 HBODXJXYECUVPQ-XMMPIXPASA-N 438.483 5.350 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC(C)C)cc3)[C@H]2c2ccc(C)o2)c1 170300415 ZWAYLMNAEFURKP-XMMPIXPASA-N 445.515 5.714 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2c2cccc(C)c2C)o1 170302345 QRVVVZMEAUHUJF-XMMPIXPASA-N 445.515 5.775 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1c1ccccc1 170314868 MDXNAQUURBETSW-JOCHJYFZSA-N 429.541 5.718 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2sccc2C)cc1C(C)C 170314886 WSNWTSUFLBOAAY-JOCHJYFZSA-N 447.556 5.971 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1Cc1ccccn1 170316636 SZQODQUMMQHKQZ-OAQYLSRUSA-N 448.544 5.017 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cccc(OC)c2)cc1 170362025 WBUCMANDAPEBAU-JOCHJYFZSA-N 449.528 5.328 30 10 IKEE Cc1cc(OCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)ccc1Cl 170522172 QNKBNBQBSNSMSN-UHFFFAOYSA-N 442.902 6.465 30 10 IKEE O=[N+]([O-])c1ccc(N=Cn2c(=S)n(C=Nc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 254497428 CBYKMAXZPOUOPT-UHFFFAOYSA-N 446.448 5.405 30 10 IKEE C/C=C\C=C\C(=O)Nc1cccc(C(=O)/C=C/c2cccc(NC(=O)/C=C/C=C/C)c2)c1 254868070 QPTGFYCJPWPMKS-SXNWAJNSSA-N 426.516 5.724 30 10 IKEE O=CC1(c2cccc(OCc3ccccc3)c2)CCN(C(=O)OCc2ccccc2)CC1 383408167 CJYNWPKTIOAPPV-UHFFFAOYSA-N 429.516 5.135 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccc(Cl)c2)c1 526488025 CHBZNXQMLMNCEM-HSZRJFAPSA-N 430.891 5.668 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(Cl)ccc2C)cc1 526709908 JDJFOPXCXGVQCQ-HSZRJFAPSA-N 447.918 5.830 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccccc2O)c1 526758794 IAZDOQCABGMAJI-DEOSSOPVSA-N 443.499 5.272 30 10 IKEE CCCOc1ccc(/C=N\n2c(CC)nnc2SCc2cccc(C)c2)cc1OCC 526807661 AUPLJQNLCQUVLL-XYGWBWBKSA-N 438.597 5.511 30 10 IKEE CCCOc1ccc(/C=N\n2c(CCC)nnc2SCc2cccc(C)c2)cc1Cl 526807674 BXOAUBVRPVQNAE-MYYYXRDXSA-N 443.016 6.156 30 10 IKEE Cc1cccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccccc2Cl)c1 526817134 QAUQBECLLBFMKB-QQXSKIMKSA-N 432.980 6.005 30 10 IKEE Cc1ccc(C)c(CSc2nncn2/N=C\c2ccccc2COc2ccccc2)c1 526818470 KMRUJMMKBBTZSJ-DICXZTSXSA-N 428.561 5.648 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3)n2/N=C\c2cccc(O)c2)c1 526819541 INLIYQKMZZJJJB-PKAZHMFMSA-N 442.588 5.560 30 10 IKEE CCCCCOc1ccc(/C=N\n2c(CC)nnc2SCc2cccc(F)c2)cc1 526825164 MDWGHXFBIXUQSN-XYGWBWBKSA-N 426.561 5.723 30 10 IKEE CCCCCCCCCCCCCC[C@@](CC)(COC(=O)CCC)Sc1ccccc1 585665196 ZUXQOMNYMCENMO-NDEPHWFRSA-N 448.757 9.362 30 10 IKEE Cc1ccc(C#N)cc1[C@@](C)(CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 687741665 MVPKJSJNYRSCJT-HHHXNRCGSA-N 440.499 5.095 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C1 698908126 GULKCNKCLBWYHH-ZHRRBRCNSA-N 435.590 5.024 30 10 IKEE CCOc1cccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)c1 710705844 CFOOQQLVNAQPNQ-LJQANCHMSA-N 431.330 5.854 30 10 IKEE CO/N=C(/C)[C@@H]1/C(=N/OC)C[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 1076405108 KLCZPBNZZJGNRW-XSCKRGNESA-N 432.605 5.212 30 10 IKEE O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 1084059888 MSXJONYADHFJMX-VCHYOVAHSA-N 443.843 5.539 30 10 IKEE Cc1cc(C=Nc2cccc(I)c2)c(C)n1-c1cccc([N+](=O)[O-])c1 1084433453 VXXQPKFZFZBFBR-UHFFFAOYSA-N 445.260 5.358 30 10 IKEE N#Cc1cc(Br)c(OCc2ccccc2C(F)(F)F)c(Br)c1 1615217460 TWLVRTOMNHXASP-UHFFFAOYSA-N 435.037 5.681 30 10 IKEE C/C(=C1\SC(=Nc2cccc(C(=O)O)c2)N(C2CCCCC2)C1=O)c1ccc(F)cc1 1772735587 JTTKFLIMCFNLLW-LLLXPECQSA-N 438.524 5.851 30 10 IKEE O=C1/C(=C\c2ccccc2O)SC(=NN=C/C=C/c2ccccc2)N1Cc1ccco1 1772759248 OHXAKHBGIKAREN-OSAKIHFHSA-N 429.501 5.157 30 10 IKEE Cc1ccc(-c2nn(-c3ccc(C)cc3)cc2/C=N\NC(=S)Nc2ccccc2)cc1 1857811899 JFNBNFIYEATEJE-QQXSKIMKSA-N 425.561 5.477 30 10 IKEE N#Cc1cnn(-c2ccccc2)c1NC(=O)c1ccc2nc(-c3cccc(Cl)c3)oc2c1 1859744283 ZVEPIEDYJKYKRE-UHFFFAOYSA-N 439.862 5.458 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCC)NC(=O)CCCOc1ccc(C(C)(C)C)cc1 1861694481 YHJXMUWKXXKKKN-DEOSSOPVSA-N 446.676 5.905 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2cccc(Br)c2)n(-c2ccc(C)cc2)n1 1862353189 VBTLTBDEGSDNIL-UHFFFAOYSA-N 436.353 5.424 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2ccc(OCC)cc2)cc1 1862393370 UPUCCYSRMLLLAA-MHECFPHRSA-N 435.564 5.805 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2cccc(OCCC)c2)cc1 1862396591 GGLPXEYNQJHHOM-DEOSSOPVSA-N 435.564 5.805 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2ccncc2)cc1 1862415190 RGWXCRMFRLAVIV-HSZRJFAPSA-N 448.469 5.262 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862442774 UXTBLBCNMRZVMA-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(C(F)(F)F)cc1 1862549921 AHOWXGWYWHTXIA-OAQYLSRUSA-N 443.465 5.571 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccccc2C)cc1OC 1862576660 YXVJIVSSQLSOIU-WPSZSDGUSA-N 449.547 5.169 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(C(C)C)cc2)=C(O)C(=O)N1[C@H]1CCCC[C@H]1C 1862660278 JMENVCPZTOILPW-HFRGRHLUSA-N 431.576 6.275 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccc(F)cc2)cc1 1862662981 OQUOMTNOPVDHDP-XMMPIXPASA-N 447.481 5.867 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2C)cc1 1862674893 WYPPGIGEWFXBAN-IQGLISFBSA-N 443.518 6.036 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 1862689257 LXXMPUBKRPYRJS-MWTRTKDXSA-N 447.918 5.688 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862705206 SIWKORZNGAILMM-DEOSSOPVSA-N 449.591 6.151 30 10 IKEE COc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3cccc4ccccc34)C2=O)cc1 1862842635 YCQMNVGVLZIXEE-UHFFFAOYSA-N 445.478 5.117 30 10 IKEE COc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc4ccccc4c3)C2=O)cc1 1862956080 AHAQUPGPURDNFO-UHFFFAOYSA-N 445.478 5.117 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C)c(C)c2)=C(c2ccc(OCC)cc2)C1=O 1863204006 OSVNSGHXTVBQKP-UHFFFAOYSA-N 448.607 6.255 30 10 IKEE C=CCOC(=O)c1sc(NC(=O)/C(=C/c2ccc(OCC)cc2)c2ccccc2)nc1C 1865914236 IZCHNJLMLBXSMF-LTGZKZEYSA-N 448.544 5.372 30 10 IKEE Cc1ccc([C@@H](C(=O)N[C@@H](C(=O)Nc2ccc(C#N)cc2)c2ccccc2)C(C)C)cc1 1866960415 OPJIGDRNTVYZAW-LOSJGSFVSA-N 425.532 5.103 30 10 IKEE CCCCCCCCCCn1cc(OCc2ccccc2C)c(=O)cc1CSCCO 1870170567 OSHMMMHXBQMVQB-UHFFFAOYSA-N 445.669 6.102 30 10 IKEE CCCCCCCOc1cn(CCC)c(CN2CCC(Cc3ccccc3)CC2)cc1=O 1870409448 SPEMNQGAYBHCBG-UHFFFAOYSA-N 438.656 6.062 30 10 IKEE CCCCCCCOc1cn(CCc2ccc(OC)cc2)c(CN2CCCCC2)cc1=O 1870410917 KWCBUALEMBODAF-UHFFFAOYSA-N 440.628 5.435 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(C(C)C)cc2)cn1Cc1ccco1 1870472067 HURVVLMJOFPBAH-UHFFFAOYSA-N 432.564 5.366 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc(C)c2)cn1Cc1ccc(C)cc1 1870622531 JCQDHWXPTFDDFQ-UHFFFAOYSA-N 428.576 5.266 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc([N+](=O)[O-])cc2)cn1CCCCCC 1870687864 GNXWEKAYFAUILZ-UHFFFAOYSA-N 439.556 5.090 30 10 IKEE CCCCCCCCCCn1cc(OC)c(=O)cc1CNc1ccc(Br)cc1 1870998442 ZBRNRVPDCZGSKS-UHFFFAOYSA-N 449.433 6.372 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O3)CN([C@H]1CCCC[C@@H]1C)CO2 1871350965 CQWFIEPKGYXDES-RYNXUDNVSA-N 445.603 6.639 30 10 IKEE Cc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc2c1C(=O)/C(=C/c1cccc(Cl)c1)O2 1871370913 HNSRVHGBZVRJGZ-JAIQZWGSSA-N 435.819 5.392 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cn(C)c4ccccc24)C3=O)cc1C 1871372617 BCXHUBGRSXPQLJ-QFEZKATASA-N 437.495 5.939 30 10 IKEE O=C(/C=C/c1ccc(Cl)cc1Cl)Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O 1871378433 MSCSZYQQZVATAF-LYKDXYPQSA-N 427.239 5.821 30 10 IKEE CCOc1ccccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1cccc(F)c1)C2=O 1871417523 CLUBUDYKANCPCH-QRVIBDJDSA-N 447.462 5.167 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc(C)c4)cc(C)c3C2=O)cc1 1871456477 HGATZSPUPPTXOV-OYKKKHCWSA-N 427.500 5.500 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(CCCC)cc1)[C@@H](C)CC)S(=O)(=O)CCCC 1871831379 HVQICVXVKSIKCV-REWPJTCUSA-N 436.662 5.390 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(F)cc1 1871833941 CAUYFJLXDVUUOL-QHCPKHFHSA-N 446.588 5.323 30 10 IKEE C=CCN([C@H](CCC)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccc(C)cc1 1872444626 KDYIBBMHWLAUFC-HSZRJFAPSA-N 428.598 5.103 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(C)cc1C)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 1872533569 NIDOULNCBMPMFW-VWLOTQADSA-N 448.588 5.169 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NS(=O)(=O)c1ccc(C)c(C)c1 1872612371 CDXSMAKJOQXEOI-QHCPKHFHSA-N 438.678 5.397 30 10 IKEE N#Cc1ccc(NC(=O)c2ccc3nc(-c4cccc(Oc5ccccc5)c4)[nH]c3c2)cc1 1872735003 AOLMYFVGGPOFJZ-UHFFFAOYSA-N 430.467 6.146 30 10 IKEE CCc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1 1872761173 HUFYPQZOCRTYGC-GUYCJALGSA-N 445.371 6.323 30 10 IKEE CCc1ccc(OCCCC(=O)[C@H](C#N)c2nc(C(C)(C)C)cs2)c(Br)c1 1872768824 CWWJCLUFQWIEMF-HNNXBMFYSA-N 449.414 5.801 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3cccc([N+](=O)[O-])c3)n2)cc1 1872770334 QGBUKMRYXBXKEW-HSSRVXSRSA-N 433.489 5.397 30 10 IKEE CCCOc1ccc(CC(=O)[C@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 1872787665 OXUHQLQXJKABLI-SFHVURJKSA-N 445.371 6.325 30 10 IKEE C=CCc1ccccc1OCc1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1 1872846795 SCHLFFQFUYNIHW-UHFFFAOYSA-N 430.523 5.096 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2[N+](=O)[O-])C(=O)N([C@H]2CCCC[C@H]2C)C1=O 1873140105 QWEAFGDLNGWMAN-QUCCMNQESA-N 441.572 5.204 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(Oc3ccccc3)cc1)n2CCCC 1873612964 PNSVRJNTKZJREM-UHFFFAOYSA-N 441.535 5.874 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C(F)(F)F)cc2)cc2c(N3CCCCCC3)ncnc21 1873655356 DXTFHIOPURFZIG-UHFFFAOYSA-N 443.473 5.269 30 10 IKEE C=CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccccc1Cl 1874218177 YVBNXDSSCKMPFM-WYMPLXKRSA-N 447.391 5.941 30 10 IKEE COc1ccccc1CCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1ccccc1 1874313016 YKZSAAQGGXLQEV-OVVQPSECSA-N 442.588 5.555 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2cccc(F)c2)cc1 1874348835 FZZCLXVUZALBRG-JVWAILMASA-N 446.551 5.500 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2/N=C/c2cccn2C)c1 1874356883 DKCAEZGYADVDOA-WGOQTCKBSA-N 429.593 5.307 30 10 IKEE Fc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2-c2ccccc2Cl)cc1 1874365800 VQKPOPCAHULECP-WGOQTCKBSA-N 436.943 5.955 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2cccs2)n1/N=C/c1cccc(F)c1 1874368799 SPOYJJINLVQNCM-MFKUBSTISA-N 436.581 5.747 30 10 IKEE CCc1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCc2ccc(F)cc2)cc1 1874378024 AGCFJEAIIBIPAR-LQKURTRISA-N 448.542 5.884 30 10 IKEE Cc1ccccc1/C=N/n1c(CCc2ccccc2)nnc1SCc1ccccc1C 1874398865 RKCBPRSLFYZVEV-OVVQPSECSA-N 426.589 5.855 30 10 IKEE C(=N/n1c(Cc2ccccc2)nnc1SCc1cccc2ccccc12)\c1cccs1 1874418986 RMJNCHHGHGEGKT-YZSQISJMSA-N 440.597 6.258 30 10 IKEE COc1ccc(OC)c(/C=N/n2c(CC(C)(C)C)nnc2SCc2cccc(F)c2)c1 1874437512 FNLPKXGRDJTEPP-AFUMVMLFSA-N 442.560 5.198 30 10 IKEE FC(F)(F)c1ccc(/C=N/n2c(SCc3ccccc3)nnc2[C@H]2CCCO2)cc1 1874446712 JBHBVDFFNCCYEY-YBNTXHARSA-N 432.471 5.323 30 10 IKEE Clc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2[C@@H]2CCCO2)cc1 1874449734 KLBVBRCPKHKSQC-WGLQLPMYSA-N 448.979 6.111 30 10 IKEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1cn(C)c2ccccc12 1874477416 ZGEXMCVFXZPRPU-ZVHZXABRSA-N 448.552 5.195 30 10 IKEE CSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccccc1Cl 1874542305 TYNBHOUGSRMEDT-ZMOGYAJESA-N 449.407 5.817 30 10 IKEE COc1cccc(/C=N/n2c(S)nnc2CC(C)(C)C)c1OCc1ccccc1Cl 1874560007 BRSCBNFEVUIBNZ-ZMOGYAJESA-N 444.988 5.279 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1C 1874574687 ZPTFTIBZSWBHJH-BJMVGYQFSA-N 437.879 6.040 30 10 IKEE COC(=O)c1ccc(COc2ccc(Cl)cc2/C=C/C(=O)c2cc(C)ccc2OC)o1 1874581654 ZIFWYBNKWRNNAU-VMPITWQZSA-N 440.879 5.512 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cc(Cl)ccc1OCc1ccccc1F 1874589041 PTWSOUPYXFVLIP-VQHVLOKHSA-N 445.317 6.925 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccccc2F)c2ccccc12 1874591851 FQYGMZSWBRYEBH-JLHYYAGUSA-N 446.905 7.116 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OCC(=O)Nc1cc(C)ccc1C 1874596486 PNZYFTPTEVYMDQ-UKTHLTGXSA-N 429.516 5.534 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCc3ccc(Cl)cc3)c2)c(OC)c1OC 1874600778 CJFKVRDHYCEDEF-UKTHLTGXSA-N 438.907 5.841 30 10 IKEE CCOc1c(OC)ccc(/C=C/C(=O)c2cc(Cl)ccc2OC)c1Br 1874601164 XEWVVRAHJDUOQI-VMPITWQZSA-N 425.706 5.415 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3F)c(Br)c2)cc1 1874604480 OWICJZUPHZFJHO-UKTHLTGXSA-N 439.324 6.626 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(OC)cc3OC)cc2)cc1 1874632748 SKKLSCIALQZVHQ-CXUHLZMHSA-N 445.515 5.180 30 10 IKEE C=C(C)COc1c(OC)cc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1OC 1874637122 JUKDKSAABDYNTO-VOTSOKGWSA-N 437.319 5.870 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cccc(C)c3)c2)cc1OC 1874694044 JBAAFDJHHNJVCU-DHZHZOJOSA-N 432.472 5.136 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(OCC)cc3)c2)cc1 1874695579 IYIQCYOYLCMHHO-XMHGGMMESA-N 442.555 6.472 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3c(OC)cccc3OC)c2)cc1C 1874696002 DCSPVKCHMKPLHV-ACCUITESSA-N 432.472 5.136 30 10 IKEE COc1ccccc1CC(=O)Oc1cccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)c1 1874713213 LHKAHGBWAYUKEJ-OUKQBFOZSA-N 430.500 5.365 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc([N+](=O)[O-])c1OC(=O)c1ccccc1 1875103302 SCAAMGVTLKZEOC-NTCAYCPXSA-N 445.471 5.671 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)CCc1ccccc1C 1875120027 YGBXUIOPYYHRTI-DTQAZKPQSA-N 444.527 5.837 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Br)c1OC(=O)C1CC1 1875122086 QQKPCAPDGXORTE-RMKNXTFCSA-N 449.728 5.713 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC(=O)c1ccc(CC)cc1 1875122608 QYSIBAVRMNWKMC-NTUHNPAUSA-N 436.454 6.041 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1cc(C)cc(C)c1 1875125421 IMDICACAUSGXKG-VZUCSPMQSA-N 434.919 6.471 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(Cl)cc3)c(Cl)c2)c(C)c1 1875131888 TUAZLHYDTWQFET-IZZDOVSWSA-N 439.338 6.654 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3OC)cc2)cc1OC 1875143692 MGBIGYUWMSTIJC-XYOKQWHBSA-N 432.472 5.136 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1ccc(N(C)C)cc1 1875144508 UQITUIZPMABRJR-NTUHNPAUSA-N 445.515 5.194 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1 1875156164 MVKTXEVVYGOHRF-LHHJGKSTSA-N 439.338 7.232 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3F)c(Cl)c2)c(C)c1 1875183279 SMEASDMFPPLUMY-XBXARRHUSA-N 440.873 6.659 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)cc3)cc2)c2ccccc12 1875189879 BSGHGQCAMBGKOK-MHWRWJLKSA-N 440.470 6.032 30 10 IKEE O=C(CSc1ccccc1)Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1 1875191570 SRBOYLLBGWHBHY-MDWZMJQESA-N 443.351 6.587 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)CC(C)(C)C)c([N+](=O)[O-])c1 1875193660 USNDFLFWGAKIGH-VMPITWQZSA-N 431.872 5.495 30 10 IKEE CN[C@H](CC#CC1CC1)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875685166 AEASACZEHNXRRG-GGXMVOPNSA-N 441.571 5.270 30 10 IKEE CC1(C)CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)[C@H](CN)C1 1927159115 HQLVEWNXBHHLPY-BTYIYWSLSA-N 436.394 5.238 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 1944698082 ODIJUTSQTALYAZ-VQIMIIECSA-N 449.979 5.621 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1944736971 SOMIGEMJQRJLIA-OALUTQOASA-N 449.979 5.763 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCCC[C@H]2NC(=O)OC(C)(C)C)c1 2031497202 KNHVRMNQTYYNOH-CJFMBICVSA-N 443.588 5.856 30 10 IKEE C=CCN1C(=O)NC(=N)[C@@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071356669 PSENBCSDXICNSK-DEOSSOPVSA-N 427.504 5.074 30 10 IKEE C#CC[C@H](C[C@@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1)C1CC1 2076108084 UXQQALSOPBRCGQ-BPUWIUIQSA-N 442.644 5.293 30 10 IKEE CCCc1ccc([C@H](C2CC2)n2nc(C3CC3)c(C#N)c2I)cc1 2079857252 ZDBAOXYQJVDWLP-LJQANCHMSA-N 431.321 5.189 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Cl)c(Br)c1F 2102883492 AZCFNZWHLNQQNL-PBHICJAKSA-N 447.776 5.199 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)c(Br)c1)NCCC 2110503486 KDZNVHALSWYNFH-QZTJIDSGSA-N 445.829 5.483 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1c[nH]nc1C(F)(F)F 2154852843 RZBVEIXHMXIQLH-ZDUSSCGKSA-N 445.239 5.197 30 10 IKEE CC(C)(C)OC(=O)N[C@H](CNc1ccc(C#N)c(Br)c1F)c1ccccc1 2162349755 BRZAVIXEFQZVIT-MRXNPFEDSA-N 434.309 5.138 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1ncoc1C(F)(F)F 2167873853 WMCIEYKGZURIHN-LBPRGKRZSA-N 446.223 5.462 30 10 IKEE C=C([C@H](NC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)C(C)(C)C 2229109070 FGADKHQVDJMENJ-MSOLQXFVSA-N 425.411 5.075 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)CN(C(=O)OC(C)(C)C)[C@@H](C)CC 2235721151 APUAHJMNQXCKBE-PKOBYXMFSA-N 437.422 5.204 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)CCC[C@H](CC)NC(=O)OC(C)(C)C 2235747692 RWHZWZSZCLXVNJ-OALUTQOASA-N 437.422 5.252 30 10 IKEE CC1(C)OB(c2cccc(NC(=O)N(Cc3ccccc3)Cc3ccccc3)c2)OC1(C)C 2241489447 HGADIKNYIRVQNA-UHFFFAOYSA-N 442.368 5.220 30 10 IKEE C=CCCC1([C@@H](N)c2c(C)ccc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2266303244 SYJITQHKPKYZGM-KRWDZBQOSA-N 427.358 5.100 30 10 IKEE CC1(C)OB(c2ccc(C(=O)N(Cc3ccccc3)C3CCCCC3)c(F)c2)OC1(C)C 2266988359 NVBXIBBSKMQUOC-UHFFFAOYSA-N 437.364 5.100 30 10 IKEE Cc1cc(C(=O)N(Cc2ccccc2)CC2CCCC2)ccc1B1OC(C)(C)C(C)(C)O1 2267580258 DSPCCUBXOCHMGM-UHFFFAOYSA-N 433.401 5.127 30 10 IKEE CC(C)(C)OC(=O)N(CC(=O)C#Cc1ccc(Br)cc1)CC1CCCCC1 2296292436 YKTJZGNEKFYZGD-UHFFFAOYSA-N 434.374 5.187 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@H](C)CCCNC(=O)OC(C)(C)C 2296311652 ZSWHPAWFQLSKPY-YLJYHZDGSA-N 437.422 5.110 30 10 IKEE CCN1C(=O)C(=CC=C2Sc3ccccc3N2CC)SC1=Nc1ccccc1Cl 2296679709 BISOAEKHCGVFAS-UHFFFAOYSA-N 442.009 6.280 30 10 IKEE CCOc1ccc(C(=O)C(=Cc2ccc(C(C)C)cc2)c2nc3ccccc3s2)cc1 2296846220 MYKLJRRQRBXPSB-UHFFFAOYSA-N 427.569 7.242 30 10 IKEE CCCCCCCCCCCCCCCCCCN=Cc1ccc(N(CC)CC)cc1 2297451072 WRLQXUXCZLGIEK-UHFFFAOYSA-N 428.749 9.213 30 10 IKEE Cc1cc(OCc2ccc(F)cc2Cl)cc2c1C(=O)C(=Cc1cn(C)c3ccccc13)O2 2321862878 XQINBSIIJMMCHE-UHFFFAOYSA-N 447.893 6.474 30 10 IKEE CCCN(CCC)C(=O)COc1c(C=CC(=O)c2ccc(C(C)C)cc2)cccc1OC 2322738003 LALGYHWSSSCUQV-UHFFFAOYSA-N 437.580 5.742 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2C)OC(=CC=Cc2ccccc2)C3=O)cc1OC 2322748607 HSRDIAOBUZVIGG-UHFFFAOYSA-N 442.467 5.404 30 10 IKEE C[C@@H](NC(=O)COc1cccc(C=CC(=O)c2ccc3ccccc3c2)c1)c1ccccc1 2323047651 REXOXHXZBZHCMK-OAQYLSRUSA-N 435.523 5.992 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1OCc1cccc(Cl)c1 2323247341 NOYJJIQKPIIYSQ-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE O=C1C(=Cc2cccc(Cl)c2)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc21 2323561937 JWCIEWIBTUXHFE-UHFFFAOYSA-N 444.826 5.282 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)c3cc(Cl)ccc3Cl)cc(C)c2C1=O 2323584823 CJYBGCVHEIWNLK-UHFFFAOYSA-N 439.294 6.446 30 10 IKEE C=C(C)COc1c(OCC)cc(C=CC(=O)c2cccc(Br)c2)cc1[N+](=O)[O-] 2323659544 YCQPVXOTCIMLBB-UHFFFAOYSA-N 446.297 5.607 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Cl)c1OCCc1ccccc1 2323724110 MTZBXJUFEYNNEB-UHFFFAOYSA-N 442.889 6.535 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1 2323832147 QEOSMDAQBXSBNZ-UHFFFAOYSA-N 435.907 5.652 30 10 IKEE CCOc1cc(C=NNc2nc(-c3ccc(NC(C)=O)cc3)cs2)ccc1OC(C)C 2323854691 PGPIDUPEIYJEDR-UHFFFAOYSA-N 438.553 5.400 30 10 IKEE CCCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccs2)C3=O)c1 2323921424 KIDKVUJVQYELKD-UHFFFAOYSA-N 448.496 5.597 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3)c([N+](=O)[O-])c2)ccc1F 2323972762 VWTVAVOULRPTIW-UHFFFAOYSA-N 425.843 6.171 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OCc3ccccc3)c(OC)c2)c(OC)c1 2324456155 GQCRQJPWMQVLFY-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE COc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1sccc1C)C2=O 2324474147 VWXCGIZBAOYEEK-MRXNPFEDSA-N 449.528 5.396 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1Cl 2324625757 JVYDFGHHEYYRAN-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE CCn1cc(C=C2Oc3cc(OCc4ccccc4C#N)cc(C)c3C2=O)c2ccccc21 2325357704 UAVRTCAEORDQPQ-UHFFFAOYSA-N 434.495 6.037 30 10 IKEE CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2cccc(C)c2)C3=O)cc1 2325424596 FKIYUPAEMIPUOY-SFHVURJKSA-N 441.483 5.220 30 10 IKEE COc1ccccc1C=Nn1c(Cc2ccccc2)nnc1SCc1cc(C)ccc1C 2325489255 CLACNJXHPQBQIE-UHFFFAOYSA-N 442.588 5.669 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4c(F)cccc4F)c3C)C2=O)cc1 2325512586 KYLIGQPGAGTJRB-UHFFFAOYSA-N 435.426 5.215 30 10 IKEE CCCCCCCOc1ccc(C(=O)CCN2CCN(CC=Cc3ccccc3)CC2)cc1 2325623584 PWJFTHDHHAJDJU-UHFFFAOYSA-N 448.651 5.940 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC(=O)CCCOc3ccccc3Cl)c2)cc1 2325705710 QCJLEBOIBGKILY-UHFFFAOYSA-N 448.946 6.563 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)c2)cc1 2325706238 ZMDKMZQKGLBRRK-BJKOFHAPSA-N 430.931 6.508 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccccc1)C2=O 2325723639 ZDKUYUNJSHQPHW-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE O=C(Cc1ccc(Cl)c(Cl)c1)Oc1cccc(C=CC(=O)c2cccc(Cl)c2)c1 2325728212 QQGLCBVMCRFJEJ-UHFFFAOYSA-N 445.729 6.691 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2)cc1OC(=O)c1ccc([N+](=O)[O-])cc1Cl 2325731576 IYRJZSMOQDKPCZ-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2cccc(C=CC(=O)c3c(C)cc(C)cc3C)c2)c1 2325764681 KKZIJYXMNAWKCY-UHFFFAOYSA-N 430.500 5.744 30 10 IKEE O=C(CCOc1ccccc1)Oc1cccc(C=CC(=O)c2cc(Cl)ccc2Cl)c1 2325774430 RYMHJVQRVVWMCC-UHFFFAOYSA-N 441.310 6.264 30 10 IKEE CSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1N=Cc1cccc(F)c1 2325829116 NWNKOZFXDBDMFR-UHFFFAOYSA-N 426.561 5.330 30 10 IKEE CCOc1ccc(C=Nn2c(CC)nnc2SCc2ccccc2)cc1Br 2326219381 MTDZESLEBRWTJU-UHFFFAOYSA-N 445.386 5.176 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc([N+](=O)[O-])cc1 2326705765 HORGZMJHTOZBSB-UHFFFAOYSA-N 436.324 5.230 30 10 IKEE Fc1cccc(CSc2nnc(CC34CC5CC(CC(C5)C3)C4)n2N=Cc2ccc[nH]2)c1 2326893606 ZKOVAHAIIOQZPN-UHFFFAOYSA-N 449.599 5.679 30 10 IKEE Cc1ccc(C)c(OCc2nnc(SCCc3ccccc3)n2N=Cc2ccc[nH]2)c1C 2327276655 LQAHQCWEYARZAB-UHFFFAOYSA-N 445.592 5.327 30 10 IKEE CCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(OC)cc1OC 2327739322 BNFXHSFLTQSMJQ-UHFFFAOYSA-N 432.549 5.034 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1cccc([N+](=O)[O-])c1 2328056281 PXRCZYFLQRYCOG-UHFFFAOYSA-N 441.944 5.175 30 10 IKEE CCCCC1CCC(c2nnc(SCC)n2N=Cc2ccc(N(CC)CC)cc2)CC1 2328150369 VRPIXDMSMNLUIT-UHFFFAOYSA-N 441.689 6.583 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2)n1N=Cc1ccc(N(CC)CC)cc1 2328754200 ILLYXHDLSNCSLO-UHFFFAOYSA-N 449.624 5.296 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2N=Cc2cccs2)c1 2329404106 RMAIRNXZIKRPNQ-UHFFFAOYSA-N 432.618 6.030 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccncc1 2329489446 FVLGOFBTWJRSBD-UHFFFAOYSA-N 447.995 5.595 30 10 IKEE Oc1ccc(C=Nn2c(CCc3cccs3)nnc2SCc2cccc(F)c2)cc1 2329651476 SFQFIDAEHRCEFN-UHFFFAOYSA-N 438.553 5.144 30 10 IKEE CCCCCOc1ccc(C=Nn2c(Cc3ccccc3F)nnc2SCC)cc1 2329730764 BRCHHYREYYFDBR-UHFFFAOYSA-N 426.561 5.571 30 10 IKEE O=C(ON=C1CCN(Cc2ccccc2)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2329923320 JMHKNJFGTFBQME-UHFFFAOYSA-N 430.348 5.143 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(C)c3)n2N=Cc2ccccc2C)cc1 2329949860 YNJKLTQMAIRBRL-UHFFFAOYSA-N 426.589 5.969 30 10 IKEE Cc1ccc(O)c(C=Nn2c(CCc3ccccc3)nnc2SCCc2ccccc2)c1 2330199924 ULINBVNVPYKGLT-UHFFFAOYSA-N 442.588 5.294 30 10 IKEE Cc1cccc(C=Nn2c(SCC(=O)Nc3cccc(C)c3)nnc2-c2cccs2)c1 2330543025 YQOWQILYSLYZCK-UHFFFAOYSA-N 447.589 5.236 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc([N+](=O)[O-])c1OC(C)=O 2330607762 XCJXPMFFBPDEJN-UHFFFAOYSA-N 431.444 5.482 30 10 IKEE O=C(COc1cc(F)ccc1F)Oc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1 2330653451 IFODQEDFZPYJBL-UHFFFAOYSA-N 444.433 5.999 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccc(C)c(C)c3)cc2)cc1OC 2330707284 IPRDSBRWQCAUQU-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(CC(C)(C)C)n2N=Cc2cccs2)c1 2330821890 WADOWVYVTJEWOW-UHFFFAOYSA-N 441.626 5.158 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(CCCC)cc2)cc1[N+](=O)[O-] 2330834987 AKCKRZPGIVPXFI-UHFFFAOYSA-N 437.536 6.709 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1[N+](=O)[O-] 2330929562 IKCLXZACSLKBBS-UHFFFAOYSA-N 439.826 5.432 30 10 IKEE Fc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2[C@@H]2CCCO2)c(F)c1 2330965857 YMFYRDAQQYGKTL-SFHVURJKSA-N 434.899 5.236 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)Cc1ccccc1 2331086483 VCJPOGQGQAGXKR-UHFFFAOYSA-N 438.426 5.026 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)c([N+](=O)[O-])c2)cc1 2331276434 WUZQCXHEKBJKGS-UHFFFAOYSA-N 446.415 5.235 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1[N+](=O)[O-] 2331340096 KZNSSQJPHZQVFV-UHFFFAOYSA-N 441.499 6.594 30 10 IKEE CCCCCOc1ccc(C=Nn2c(CC(C)C)nnc2SCc2ccccc2)cc1 2331453593 KKOPFYBHCVRYFV-UHFFFAOYSA-N 436.625 6.220 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)cc1 2331491866 SPUDHUBQPMHCST-UHFFFAOYSA-N 442.599 7.218 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3)c([N+](=O)[O-])c2)c(C)c1C 2331616547 SVCBJHAAEDNOOV-UHFFFAOYSA-N 449.434 5.475 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)C23CC4CC(CC(C4)C2)C3)cc1 2331659464 HXYQKSBGWAXNSO-UHFFFAOYSA-N 444.571 6.330 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)[C@H](C)c2ccccc2)c(Cl)c1 2331664034 RMLVQLACNNLXJR-LJQANCHMSA-N 448.946 6.571 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)cc3)c([N+](=O)[O-])c2)cc1C 2331846097 OMCDOEHOKPZBNS-UHFFFAOYSA-N 445.471 5.644 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)c(OC)cc2C)cc(OC)c1OC(=O)C1CCC1 2331854495 ATXPKQBIWJGUID-UHFFFAOYSA-N 434.532 5.651 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2cc(Br)cc(F)c2C#N)C[C@@H]2CCC[C@@H]21 2360228787 DTZUNNHHNONNNM-YEWDVWPNSA-N 438.341 5.050 30 10 IKEE CC1(C)CC=C(B2OC(C)(C)C(C)(C)O2)CN1Cc1ncc(Br)cc1Cl 2362670761 WYGZZFKRWDRHQQ-UHFFFAOYSA-N 441.606 5.040 30 10 IKEE CCSc1cccc(Oc2cc(NC(=O)OC(C)(C)C)ccc2Br)c1C#N 2370357841 SPNZOVUMZMZLND-UHFFFAOYSA-N 449.370 6.572 30 10 IKEE CCc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2c[nH]c3ccccc23)cc1 20882599 PPPXKBJKTJNFHZ-ACSYHNTCSA-N 433.555 6.710 30 10 IKEE CCOc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)c1 21229582 KZAGTFYBDPEUAG-DNOBIOAJSA-N 444.962 6.718 30 10 IKEE Cc1cc(C)cc(C(=O)/N=C(/NCc2c(C)nn(C)c2C)Nc2ccc(C(C)C)cc2)c1 32972560 JLPIYQCMOSZDOJ-UHFFFAOYSA-N 431.584 5.175 30 10 IKEE COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C/c1ccc(C(C)(C)C)cc1)C2=O 33741550 RVLIIMBGSXAMRF-BUVRLJJBSA-N 428.484 5.828 30 10 IKEE N#Cc1c(C(F)(F)F)cc(-c2ccc(OC(F)F)cc2)nc1SCc1ccccc1 39858425 OWOGBMLCLVJCNT-UHFFFAOYSA-N 436.405 6.533 30 10 IKEE COc1cccc(/C(C)=C2\S/C(=N/c3ccncc3Cl)N(C3CCCCC3)C2=O)c1 39864648 PURUORWJPKZMDG-GNDHVBMESA-N 441.984 6.070 30 10 IKEE COc1ccc(CC(=O)Oc2ccc3c(c2C)O/C(=C\C=C\c2ccccc2)C3=O)cc1 41358134 DJDXBVAEDLXAJK-AJRXITOCSA-N 426.468 5.324 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(N(C)C)cc1)O3)CN([C@@H](C)c1ccccc1)CO2 41651629 KZFBHCFEVWEJBK-QETRNLNESA-N 440.543 5.590 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(C2CCCCC2)C4)cc1 62993089 FRTKHMPRFHMHAA-XYGWBWBKSA-N 446.591 5.942 30 10 IKEE CCCCCCCOc1cccc([C@@]2(C)Nc3ccccc3C(=O)N2C[C@H]2CCCO2)c1 100141040 ZXMNCYFTAAUZDW-KCWPFWIISA-N 436.596 5.955 30 10 IKEE CCCCCCCC/C=C/CCCCCCCC(=O)NC1=NN(c2ccccc2)C(=O)C1 100166271 KIZIRRWZTGNUCT-MDZDMXLPSA-N 439.644 6.891 30 10 IKEE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F 107830225 VDFRKGHQPIDCBS-LBPRGKRZSA-N 431.241 5.223 30 10 IKEE N#CC1(C#N)[C@H](c2cccc(F)c2)[C@H](C(=O)c2ccc(F)cc2)N2c3ccccc3C=C[C@@H]21 169618329 YBPJLLRZEYXKSF-UBFVSLLYSA-N 437.449 5.249 30 10 IKEE CCOc1cc([C@H]2NC(=S)N(CC)C(C)=C2C(=O)c2ccccc2)ccc1OC(C)C 169931771 OEHWFDBTBUYKPI-HSZRJFAPSA-N 438.593 5.281 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@@H](c2ccccc2OCc2ccc(Cl)cc2)NC(=S)N1 169938447 LKTQKELXPZCBGX-HSZRJFAPSA-N 448.975 5.595 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(F)c(C)c2)=C(O)C(=O)N1c1cccc(C)c1C 169944220 WLLVKKDLSPARQG-XMMPIXPASA-N 445.490 5.542 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccs1 169984308 LIVLWHLVVBSRSZ-IBGZPJMESA-N 444.339 6.146 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@H]1c1ccccn1)c1ccc(Cl)cc1 169995989 DELSLNZGLZFGTM-QHCPKHFHSA-N 440.886 5.671 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@H]2c2ccccn2)s1 169996225 UHFNALTVQBPPKX-NRFANRHFSA-N 441.512 5.091 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1cccs1 170155715 ORDAUPBJYKIQBV-FQEVSTJZSA-N 437.492 5.296 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccs2)cc1C(C)C 170163163 VWMQQWKVTUVXLP-JOCHJYFZSA-N 448.544 5.054 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccccn1)c1ccc(Cl)cc1 170173961 RQZPYELRKJVHLW-IBGZPJMESA-N 425.271 5.171 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2)cc1 170231489 JCOHYSFNYGKMTN-VWLOTQADSA-N 447.575 6.167 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccc(F)cc2)c1 170240101 UJBRNVWNJRSRGN-HSZRJFAPSA-N 431.463 5.316 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1F)c1c[nH]c2ccccc12 170248067 PDDMTOLVJGKORY-QFIPXVFZSA-N 430.410 5.229 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccc(C)o2)c1 170299247 UWQHEAZSULOSGC-OAQYLSRUSA-N 439.414 5.048 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccc(C)o2)cc1C 170304938 DOJJBBYDDXIGQB-DEOSSOPVSA-N 445.515 5.695 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3sc(-c4ccccc4)nc3C)=C(O)C(=O)N2C2CCCC2)o1 170311056 OLYJGNJXZORGHU-HXUWFJFHSA-N 448.544 5.541 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1cccc2ccccc12)c1ccncc1 170369622 DEEWYYBACGKJGJ-QHCPKHFHSA-N 442.421 5.296 30 10 IKEE COc1ccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(OCC(C)C)cc2)cc1 170427923 UIKBSDPKMUQVET-DEOSSOPVSA-N 437.536 5.245 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2nc3cc(F)c(F)cc3s2)c1 170461578 CEZGPWPDYJJXMQ-GOSISDBHSA-N 428.460 5.008 30 10 IKEE CCOc1ccc(/C=C2\SC(=Nc3ccccc3)N(C3CCCCC3)C2=O)cc1OC 252629593 UJPJRKNWBKBOKH-CMEWOCMCSA-N 436.577 6.031 30 10 IKEE CCOc1cc(/C=C2/SC(=Nc3ccccc3)N(CC(C)C)C2=O)cc(Cl)c1O 252638277 YASOULSQRVOPLY-VLTWACRQSA-N 430.957 5.704 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccc(F)cc2C)nnc1-c1ccc2ccccc2c1 253575994 VHDCKGNIOZLBLK-UHFFFAOYSA-N 432.524 5.463 30 10 IKEE CCCN1C(=O)/C(=C\c2cc(Cl)c(O)c(Cl)c2)SC1=Nc1ccc(OC)cc1 254379412 XQEHCVCZTGGBMR-DJCXZETLSA-N 437.348 5.722 30 10 IKEE O=C1/C(=C\c2ccc(Cl)cc2)SC(=Nc2ccccc2)N1[C@@H]1CCCc2ccccc21 254739089 TWKSTXVZGLYRBY-CANWKKAWSA-N 444.987 7.022 30 10 IKEE CCSc1nc2ccc(N=Cc3cc(I)ccc3O)cc2s1 254792728 YRTDAXZICHTWPO-UHFFFAOYSA-N 440.331 5.469 30 10 IKEE CCCCCCCCCCC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C 306121436 GRAAWEGTURLYKP-MSDMEXNYSA-N 442.684 7.571 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(N(C)C)cc2)c1 526490835 ZWPLXMWKOCVEBM-VWLOTQADSA-N 439.515 5.080 30 10 IKEE Cc1nnc(SCc2ccc(F)cc2)n1/N=C\c1ccccc1COc1ccccc1 526801626 XUEVIEQDVHPLHR-YSMPRRRNSA-N 432.524 5.479 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1cccc(OCC)c1O 526802754 LXHMZRMQMQZMGO-OYKKKHCWSA-N 428.533 5.039 30 10 IKEE CC(C)(C)Oc1ccc(/C=N\n2cnnc2SCc2ccc(Br)cc2)cc1 526819529 IMGXKILVSMPVJM-FMCGGJTJSA-N 445.386 5.392 30 10 IKEE CCCOc1ccc(/C=N\n2c(C)nnc2SCc2cccc(F)c2)cc1OCC 526824858 XWDMKGXDABXPRI-OYKKKHCWSA-N 428.533 5.088 30 10 IKEE N#Cc1ccccc1NC(=O)Nc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 586721898 MYQDTTLHIYNXKR-UHFFFAOYSA-N 440.381 5.353 30 10 IKEE N#Cc1ccccc1NC(=O)Nc1cccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 586731034 CGPJQEBICOLDKQ-UHFFFAOYSA-N 440.381 5.353 30 10 IKEE Cc1cc([C@@](C)(CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1C#N 687740356 AVRMGMDWQYUWIZ-HHHXNRCGSA-N 440.499 5.095 30 10 IKEE CCCCCCCC[C@H](NC)c1ccc(I)c(Br)c1 721646964 FZMOJJHRFJVXEL-INIZCTEOSA-N 438.191 6.065 30 10 IKEE COc1ccc(-n2cc(/C=C/C(=O)c3ccc(F)cc3)c(-c3ccc(Cl)cc3)n2)cc1 725328762 QHAHESWPQWSTOJ-GIDUJCDVSA-N 432.882 6.237 30 10 IKEE Cc1ccccc1N=C1NC(=O)/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)S1 1083956743 KZVSWPWFQDAGBP-YBFXNURJSA-N 439.880 5.708 30 10 IKEE CCOC(=O)[C@@]1(C#N)C(=O)/C(=C/C=C/c2ccccc2)SC1=Nc1ccccc1Cl 1088727157 PJNZJNXJYJYYTC-GXMNDMKFSA-N 436.920 5.356 30 10 IKEE Oc1ccc(-c2ccccc2)cc1N/C(=N/Cc1cccs1)N1CCc2ccccc2C1 1088735268 FQOZZCDEAVPLFH-UHFFFAOYSA-N 439.584 6.147 30 10 IKEE C=CCCC1(CNC(=O)CCc2nc(O)c3c4c(sc3n2)C[C@H](C)CC4)CCCC1 1557474776 INQZUQODNROSGK-MRXNPFEDSA-N 427.614 5.097 30 10 IKEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CCCC1(C)C 1689841882 PSAPPPKFZNPMFE-NVXWUHKLSA-N 445.405 5.000 30 10 IKEE CN1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=Nc1cccnc1 1772730887 FJMNOIFFDBXBAL-WEYXMBDUSA-N 430.316 5.882 30 10 IKEE COc1ccccc1/C=C1/SC(=Nc2cccnc2Cl)N(C2CCCCC2)C1=O 1772733096 KDQPMZCJQVLQET-NLEVOZIKSA-N 427.957 5.680 30 10 IKEE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNc2cccc(C(F)(F)F)c2)CCC3)cc1 1772750558 DAZPHTKRENAWBD-UHFFFAOYSA-N 441.453 6.320 30 10 IKEE CC(C)c1ccc(NC(=S)N/N=C\c2cn(-c3ccccc3)nc2-c2cccs2)cc1 1857811337 PNVZBIZQJYCPBL-MYYYXRDXSA-N 445.617 6.045 30 10 IKEE N#Cc1ccc(NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)n(-c3cccc(Cl)c3)n2)cc1 1859412072 KWFLMUWKJGKHQU-UHFFFAOYSA-N 443.850 5.225 30 10 IKEE CCCOC(=O)c1ccc(CSc2nc(O)c(C#N)c(-c3cccc(Cl)c3)n2)cc1 1860466363 QWVMKDFWVIYETM-UHFFFAOYSA-N 439.924 5.233 30 10 IKEE Cc1cccc(NC(=O)[C@@H](C)Sc2nc(O)c(C#N)c(-c3ccccc3Cl)n2)c1C 1860827640 WZCPXXFEOMYXCG-CQSZACIVSA-N 438.940 5.110 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(F)cc2F)cc1C 1862402593 BZLFHDCLIXGZPL-QHCPKHFHSA-N 449.453 5.060 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@@H](C)c2ccccc2)c1 1862413270 YYSXHOWTABTDPE-QMHKHESXSA-N 433.454 5.613 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CCCCC2)cc1 1862415236 SDXWQMGHDZENPG-HSZRJFAPSA-N 439.502 5.999 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)c(OCCC)c2)[C@@H]1c1cccc(C)c1 1862425992 LCKYMECINQGQIS-DEOSSOPVSA-N 449.547 5.337 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CC(C)C)c1 1862450053 YRHFLHKGHSKVQZ-OAQYLSRUSA-N 427.928 5.363 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc2c(c1)CCCN2C 1862452032 SIOAVZKEUPVWQZ-IVZQSRNASA-N 438.955 5.099 30 10 IKEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc(O)c2)cc1 1862475657 RJYYHUUECUPOOZ-XDHUDOTRSA-N 443.499 5.049 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(C(C)C)cc1 1862493548 SMNUIXGNHXLHDO-DEOSSOPVSA-N 435.564 5.432 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccc(Cl)cc2Cl)cc1 1862521853 RTCNNDLJYKRXRP-HXUWFJFHSA-N 448.346 5.769 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862619526 XIOCUQTVNPYBIF-BTYIYWSLSA-N 436.508 5.269 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1c(F)cccc1Cl 1862619759 BSOPIEOROMVDDY-OAQYLSRUSA-N 443.946 6.155 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862656986 RNVCNAGUAQKRFT-NRFANRHFSA-N 448.862 5.166 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1c(F)cccc1Cl 1862677657 HVACOPPPGCWYBQ-XMLVGPMBSA-N 445.893 5.775 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@@H]2c2ccccc2)cc1 1862687318 JKGJGAAFWLSNKN-JOCHJYFZSA-N 433.891 5.127 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 1862727699 KFDJBNPJQCNICO-QHCPKHFHSA-N 440.455 5.003 30 10 IKEE N#Cc1cccc(N2C(=O)C(Nc3ccc(F)cc3)=C(c3cccc4ccccc34)C2=O)c1 1862849979 HFLBFMPACJIKRN-UHFFFAOYSA-N 433.442 5.247 30 10 IKEE Cc1ccc(C2=C(Nc3cccc4ccccc34)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862905605 WDMVWDZTIZKJCX-UHFFFAOYSA-N 429.479 5.417 30 10 IKEE Cc1cccc(NC2=C(c3cc(Cl)ccc3Cl)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1863016164 ZNZSPGQAXXVCFO-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cccc(C)c2)=C(c2ccc(F)cc2)C1=O 1863141577 IBXFUZPZQYWCKH-UHFFFAOYSA-N 436.571 6.467 30 10 IKEE C=CCN1C(=O)C(Nc2cc(Cl)cc(Cl)c2)=C(c2ccc(OC(C)C)cc2)C1=O 1863351648 APHIPEXJPQQLJW-UHFFFAOYSA-N 431.319 5.159 30 10 IKEE N#Cc1nnn(Cc2ccc(Cl)cc2)c1NC(=O)/C(=C\c1ccccc1)c1ccccc1 1870106689 TYIBURSSDHOPOG-JCMHNJIXSA-N 439.906 5.031 30 10 IKEE CCCCCCCCn1cc(OCC)c(=O)cc1CNc1ccc(OC)c([N+](=O)[O-])c1 1870787968 AFVVCTAKVSXSMZ-UHFFFAOYSA-N 431.533 5.136 30 10 IKEE C=CCOc1cn(CCCCC)c(CNc2ccc(OCc3ccccc3)cc2)cc1=O 1870811163 MAXZIOOJKQVZFT-UHFFFAOYSA-N 432.564 5.794 30 10 IKEE C=CCOc1cn(CCC2=CCCCC2)c(CNc2cc(Cl)cc(Cl)c2)cc1=O 1870813566 QEYJPCXTOGPUAV-UHFFFAOYSA-N 433.379 6.223 30 10 IKEE C=CCn1cc(OCc2c(F)cccc2Cl)c(=O)cc1CNc1ccc(CC)cc1 1871089323 GBSSOBHSOPWDEA-UHFFFAOYSA-N 426.919 5.580 30 10 IKEE C=CCn1cc(OCCCCCC)c(=O)cc1CNc1ccc(Br)c(C)c1 1871123890 DWUUEEKMOWMDGM-UHFFFAOYSA-N 433.390 5.676 30 10 IKEE C=CCn1cc(OCCCCOc2ccccc2)c(=O)cc1CNc1ccc(F)c(F)c1 1871225540 CYMKYHAKSFSEKH-UHFFFAOYSA-N 440.490 5.163 30 10 IKEE CCCCCCCCCCN=c1nc2c(cnn2C)c(Nc2ccc(C(C)C)c(C)c2)[nH]1 1871299263 VNAQJFHNWSDSKD-UHFFFAOYSA-N 436.648 6.513 30 10 IKEE O=C1/C(=C/c2cccc([N+](=O)[O-])c2)Oc2c1ccc1c2CN(C2CCCCCCC2)CO1 1871348627 JRTQKNZZAGOJMC-UCQKPKSFSA-N 434.492 5.476 30 10 IKEE CC[C@@H](C)N1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(Br)cc1)C3=O 1871351890 FUXQPWJWLKITFT-SAGYFLTASA-N 428.326 5.324 30 10 IKEE CCCCCCN1COc2c(cc3c(c2C)O/C(=C\c2ccc(Cl)c(Cl)c2)C3=O)C1 1871353399 PPSULAOASIIMPP-NHDPSOOVSA-N 446.374 6.650 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2sccc2C)C3=O)cc1 1871411910 LTUJXINVSZQUOI-RDPIHGLISA-N 449.528 5.396 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871412318 QYWRLEGIUJIDKL-XHFXOGKZSA-N 443.499 5.334 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O)Nc1ccc2ccccc2c1 1871420184 YLBDBQWZPCLSEB-QFEZKATASA-N 439.442 5.613 30 10 IKEE Cc1cc(OCC(=O)N[C@H](C)c2ccccc2)cc2c1C(=O)/C(=C/c1ccc(F)cc1)O2 1871424577 OCCSOWLVJMKWIT-SUVVMJBMSA-N 431.463 5.007 30 10 IKEE CCc1ccc(NC(=O)[C@@H](CC)Oc2ccc3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871425864 RORDZBFLNBXGPB-UTZZCCADSA-N 441.527 5.970 30 10 IKEE CCCCc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2)C3=O)cc1 1871455597 VTVKRLVPEXALIU-UQQQWYQISA-N 441.527 5.971 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1cccs1 1871836047 NLYGIWKYEFPRPD-HXUWFJFHSA-N 434.627 5.246 30 10 IKEE C=CCN([C@@H](C(=O)Nc1cc(C)ccc1C)[C@@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1872571576 JXMILHLCQPNMFC-HTAPYJJXSA-N 449.016 5.187 30 10 IKEE N#C[C@H](C(=O)/C=C/c1ccc(Cl)c(Cl)c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1872759211 HFJFESYXVFYULT-KEDPEKRHSA-N 444.299 5.915 30 10 IKEE N#C[C@H](C(=O)c1cccc(Br)c1)c1nc(-c2ccc3ccccc3c2)cs1 1872760362 MRPWQPSKARZGTJ-LJQANCHMSA-N 433.330 6.216 30 10 IKEE CCc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 1872763321 JKZGGBGWTZCILB-HXUWFJFHSA-N 435.505 5.316 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccccc3C)n2)cc1 1872765827 XUUIUMBJSXPMJM-QFIPXVFZSA-N 432.589 6.497 30 10 IKEE Cc1ccc(C)c(-c2csc([C@@H](C#N)C(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)c1 1872772019 IFLMKTPMRQPNIL-NRFANRHFSA-N 445.588 5.331 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(Cl)cc3)n2)c2ccccc12 1872787870 AEBVLSLCPVMZRE-FQEVSTJZSA-N 448.931 5.881 30 10 IKEE CCCCCCCCN1C[C@H](C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CC1=O 1872967853 OQQCZSUXRHQDRF-UYAOXDASSA-N 427.614 5.169 30 10 IKEE C=CCN(CC=C)c1nc(Nc2ccc(C(C)C)c(C)c2)c2cnn(-c3ccccc3)c2n1 1873481731 MOTSCVQCJYFNLA-UHFFFAOYSA-N 438.579 6.169 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(Cl)c2C)cc2c(NCc3ccc(F)cc3)ncnc21 1873611552 GTXYXHGRWRSSFD-UHFFFAOYSA-N 449.917 5.583 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(OCC)c(OC)c2)n1/N=C/c1cccs1 1874201752 RNVZIYARHRFOSG-OEAKJJBVSA-N 442.610 5.083 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3)n2/N=C/c2ccccc2F)c1 1874402333 UDSUXJBUJIKKRP-WPWMEQJKSA-N 430.552 5.685 30 10 IKEE CCN(CC)C(=O)CSc1nnc(-c2cccs2)n1/N=C/c1cccc2ccccc12 1874420745 BSSHTNCBWAKZPA-BUVRLJJBSA-N 449.605 5.003 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2/N=C/c2ccccc2)cc1 1874421720 ANWTUIDDRLGWMP-BUVRLJJBSA-N 447.589 5.182 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(CC(C)(C)C)nnc1SCc1ccccc1F 1874438901 ZDRUGASHIGIKHZ-CVKSISIWSA-N 440.588 5.968 30 10 IKEE Clc1ccccc1CSc1nnc(C2CCCC2)n1/N=C/c1cccc2ccccc12 1874455635 CANWLSMZOYBXBU-JVWAILMASA-N 447.007 6.917 30 10 IKEE Clc1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2ccccc2Cl)cc1 1874456568 XNIZGOVHOUHWTH-ZMOGYAJESA-N 431.392 6.417 30 10 IKEE COc1cccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2-c2ccco2)c1OC 1874467183 VWNKUWLMFIVGHC-AFUMVMLFSA-N 448.548 5.347 30 10 IKEE COCCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1ccc(Cl)cc1Cl 1874472554 LKYOHXGXVXKMRO-WYMPLXKRSA-N 449.407 5.565 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(C)cc1 1874480075 GWOFAUHHVIQMDJ-ZMOGYAJESA-N 433.408 6.410 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C(C)(C)C)c1 1874484768 MWQOBTZCCIGRSL-WYMPLXKRSA-N 433.408 6.365 30 10 IKEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(C)cc3C)nnc2C2CCC2)cc1 1874498577 POXIBTWCPKKPTB-CVKSISIWSA-N 447.608 5.338 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(F)cc2F)c1OCc1ccccc1C 1874576472 OWAOMBAVHCBHHJ-JXMROGBWSA-N 428.862 6.410 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2cc(C)cc(C)c2)cc1 1874577819 HJQJFLKAJGGJJH-SDNWHVSQSA-N 429.516 5.616 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1cccc2ccccc12)c1ccc(F)c(F)c1 1874584954 JMUWAKVQHYULPG-FMIVXFBMSA-N 434.869 7.247 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OCC(=O)Nc1ccccc1C 1874595658 XOCMNTOTQRQZNS-ZRDIBKRKSA-N 435.907 5.571 30 10 IKEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1Br 1874608942 PASDDCQCXRWSPR-VQHVLOKHSA-N 437.717 5.331 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccc(C)cc1 1874610886 QMYKYZOHOLHJIC-MDWZMJQESA-N 433.460 5.396 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OCC(=O)N(CCC)CCC 1874616560 IBTSCUZYSWFNCZ-NTCAYCPXSA-N 449.591 5.656 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OCC(=O)NC1CCCCC1 1874620250 PWIYWJDSEYRGNI-UKTHLTGXSA-N 439.527 5.257 30 10 IKEE CCCC(=O)Oc1cc(/C=C/C(=O)c2cccc(OC)c2)c(Br)cc1OC 1874695178 NXKIPJATTLXBTB-MDZDMXLPSA-N 433.298 5.068 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccccc3[N+](=O)[O-])c2)cc1 1874706001 KTYCDEKPEFTDFJ-LFIBNONCSA-N 443.499 5.937 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cccc(Cl)c3)c2)cc1F 1874707245 WCSOOOZDRAREFU-RMKNXTFCSA-N 440.854 5.612 30 10 IKEE COc1ccccc1OCC(=O)Oc1cccc(/C=C/C(=O)c2cccc3ccccc23)c1 1874708279 UYCGEXXTYPNTDB-WUKNDPDISA-N 438.479 5.729 30 10 IKEE CCc1ccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C(C)C)cc3)c2)cc1 1874710294 UZHRJCGTGMHZIZ-LDADJPATSA-N 426.556 6.807 30 10 IKEE Cc1cc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(F)c(F)c3)c2)ccc1Cl 1874710629 GGUNTOLBPFTZKP-BJMVGYQFSA-N 442.845 5.807 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OC(=O)c1ccccc1 1875096971 NUPADEIJLWIXAK-NTCAYCPXSA-N 442.511 5.698 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OC)c(OC)c3)c(OC)c2)cc1 1875101848 SEQNCOVJOZXKBX-MDWZMJQESA-N 446.499 5.390 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3Cl)cc2)cc1C 1875104411 WFHDREOPKDYZTN-KPKJPENVSA-N 439.338 6.654 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1ccccc1Cl 1875177214 ZWAQHNPROMWZIM-JLHYYAGUSA-N 434.919 6.471 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)N(CCCC)CCCCCC)n2Cc1ccccc1 1875217234 KAQFHNHLRBPALK-UHFFFAOYSA-N 447.627 5.900 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CC[C@H](CCNC(=O)OC(C)(C)C)C(C)C)NCC 1922108147 RJMRRJAHORKYLY-DNQXCXABSA-N 432.649 5.705 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@H]1Nc1ccc(C#N)c(Br)c1 1924922760 WGHHZQUIZHIIIL-QAPCUYQASA-N 434.378 5.206 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1[C@@](C#N)(N(C(=O)OC(C)(C)C)c1cccc(Cl)c1)C2 1950072212 MZEOOHPCSHSDQR-TUVUNVSASA-N 447.963 5.373 30 10 IKEE CC#CCCCC[C@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2019511671 XTOKIHYTKZIZNR-XWGVYQGASA-N 430.633 5.437 30 10 IKEE CC(C)[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)CN1Cc1ccccc1 2029760972 DWMPMXYUCVJTLM-SQHAQQRYSA-N 439.644 6.139 30 10 IKEE CC(C)(C)OC(=O)NC1CC2(C1)CC(C#N)(N(C(=O)OC(C)(C)C)c1ccc(F)cc1)C2 2056504103 JZCJZZIAAHMFBN-UHFFFAOYSA-N 445.535 5.297 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C[C@H]1C1CC1 2073783315 VRTLXIIXEDKSTK-CPJSRVTESA-N 441.572 5.500 30 10 IKEE CCc1ccc([C@@H](n2nc(C3(C)CC3)c(C#N)c2I)C(C)(C)C)cc1 2079092505 FIFSWAZKKLUGDW-GOSISDBHSA-N 447.364 5.609 30 10 IKEE CCc1nn([C@H](c2ccc(C(F)(F)F)c(F)c2)C2(C)CC2)c(Br)c1C#N 2079951737 XGWOHXDIVACMDX-OAHLLOKOSA-N 430.243 5.627 30 10 IKEE Fc1ccc(-c2c(C3CCCC3)nn(C(F)(F)F)c2Br)cc1C(F)(F)F 2080828410 MEJPAQNMYXRYHG-UHFFFAOYSA-N 445.176 6.604 30 10 IKEE CC(C)c1c(C(F)(F)F)nn2c(Cl)cc(-c3cc(C(F)(F)F)cc(F)n3)nc12 2081143117 IHNLVPNTLJJINO-UHFFFAOYSA-N 426.723 5.745 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1nc(C2CC2)cs1 2093264342 SHAGAOCUAIPQDC-INIZCTEOSA-N 434.359 5.789 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(Cl)ccc(Br)c1F 2122147936 LFTJWRWHEDYLAZ-RHSMWYFYSA-N 447.776 5.199 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCC[C@@]23C[C@@H](CO2)[C@@H]31 2144302606 IGVNDXWENRCUHM-XVSRIUFKSA-N 433.346 5.042 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCCN(C(C)(C)C)C1 2158633703 CYTVIVFGAUYGFE-OAQYLSRUSA-N 436.394 5.347 30 10 IKEE CC(C)(C)OC(=O)NCC(C)(C)C1CCN(c2ccc(C#N)c(Br)c2)CC1 2174807998 IXRKUNKADFQUBQ-UHFFFAOYSA-N 436.394 5.088 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)[C@@H]1C[C@@H]1C1CCCCC1 2200286077 ZHWHVOJEKXERBO-VAMGGRTRSA-N 433.390 6.299 30 10 IKEE C=CCCCCCCCCC(=O)c1cc(Br)ccc1I 2207431116 BPOMRDSLLVBSAM-UHFFFAOYSA-N 449.170 6.543 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)CCC12CC2 2208959201 KEWFEYFPAPJUES-VWLOTQADSA-N 441.572 5.250 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@]1(CNC(=O)OC(C)(C)C)C[C@H]2CC[C@H]1C2)NC 2217253926 RUMMSOLTNBBDHH-WOLJRWFJSA-N 428.617 5.069 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)[C@](C)(NC(=O)OC(C)(C)C)C(C)C 2235747763 SLNPTEFJMMNUEW-DENIHFKCSA-N 437.422 5.108 30 10 IKEE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCC#N)C(C)C 2243919778 YMTHYGDVNFDDOG-VWLOTQADSA-N 447.579 5.090 30 10 IKEE C#CC[C@@H](C)CN(C)C(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2243924628 JKMMRAKXFFEAJB-FQRUVTKNSA-N 446.591 5.058 30 10 IKEE CC(=O)c1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 2296348759 BYABYNRGWUNXIM-JOCHJYFZSA-N 431.875 5.169 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O 2296597340 LCVWCEXMHQBBOT-UHFFFAOYSA-N 448.858 5.350 30 10 IKEE N#Cc1ccccc1COc1ccc(C=C2SC(=S)N(Cc3ccccc3)C2=O)cc1 2297533522 JNRVANJSPHKXBH-UHFFFAOYSA-N 442.565 5.539 30 10 IKEE Nc1ccccc1C#Cc1sc(Br)c(Br)c1Br 2301705229 UKMFWWDQWLARET-UHFFFAOYSA-N 435.966 5.018 30 10 IKEE COc1cccc(COc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2Cl)C3=O)c1 2314438110 HUNKOCVBOSKWIZ-UHFFFAOYSA-N 427.283 6.197 30 10 IKEE CC(=C1SC(=Nc2ccncc2Cl)N(C2CCCCC2)C1=O)c1ccc(F)cc1 2314542947 RDOPMRDZXVZGTP-UHFFFAOYSA-N 429.948 6.201 30 10 IKEE CC=CC(=O)NCCCCCc1nc2ccccc2n1CCCCCCCCCCC 2314884546 VRDOUSUOYJKHOA-UHFFFAOYSA-N 425.661 6.972 30 10 IKEE COc1ccc(OC)c(C=Nn2c(C)nnc2SCc2ccc(Cl)c(Cl)c2)c1 2318572088 ZWVDDVCBCQVGNM-UHFFFAOYSA-N 437.352 5.085 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CC)nnc1SCc1c(Cl)cccc1Cl 2321020542 TWUKBNJMXLYWRS-UHFFFAOYSA-N 447.391 5.887 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3cc(OCc4ccc(C)cc4)cc(C)c3C1=O)cn2C 2321744074 OBRNUUJZSKTULF-UHFFFAOYSA-N 439.511 5.999 30 10 IKEE Cc1cc(OCc2ccc(Br)cc2)cc2c1C(=O)C(=Cc1ccccc1F)O2 2321842175 PVGGHKZMPBATCN-UHFFFAOYSA-N 439.280 6.092 30 10 IKEE Cc1ccc(COc2ccc(C=Nn3c(S)nnc3Cc3ccccc3F)cc2)cc1 2321981721 VJKLWLGCSZLMEJ-UHFFFAOYSA-N 432.524 5.066 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)O3)CN(Cc1ccccc1F)CO2 2322056890 JOQAUGHOUUYBDM-UHFFFAOYSA-N 446.434 5.011 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)OCC(C)C)cc1 2322609704 LBEJFRKXBLSQBD-UHFFFAOYSA-N 430.928 5.603 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(Cl)cc2C=CC(=O)c2cc(C)ccc2C)c1 2322617497 ZKEKRAWYBXGXCY-UHFFFAOYSA-N 433.935 6.179 30 10 IKEE CCCCCOc1ccc(C=NNc2cnn(-c3ccccc3Cl)c(=O)c2Cl)cc1 2322624228 VACNUDJXMDAHFI-UHFFFAOYSA-N 445.350 5.554 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 2322671548 FVVGDKUPKAHSBY-UHFFFAOYSA-N 441.310 6.240 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1cccc2ccccc12)c1cccc2ccccc12 2322724667 MODJFKKYTKIVGU-UHFFFAOYSA-N 448.949 8.122 30 10 IKEE COc1cccc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)c1OCc1ccccc1 2322974647 GOFYCSQMMDJQGT-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1cccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)c1 2323194071 XYSJIKGBDXKSTR-UHFFFAOYSA-N 441.571 6.515 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(Cl)c2)c1 2323486750 BBLWQVGMMVIJOP-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE Cc1c(OC(=O)c2cc(Cl)ccc2Cl)ccc2c1OC(=Cc1ccccn1)C2=O 2323583775 SYEYBCCYIJLJKA-UHFFFAOYSA-N 426.255 5.532 30 10 IKEE CCCCCOc1ccc(C=NNc2nc(-c3cccc(OC)c3)cs2)cc1OC 2323874579 ZVVMWKVNLIWZSC-UHFFFAOYSA-N 425.554 5.842 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1cc(C)ccc1C 2323914977 LOQVPQCCMSECPZ-UHFFFAOYSA-N 443.543 5.924 30 10 IKEE CCCOc1cc(C)c2c(c1)OC(=Cc1cc(Br)cc3c1OCOC3)C2=O 2324244912 VHPMQVSZVCQRHI-UHFFFAOYSA-N 431.282 5.029 30 10 IKEE N#C[C@H](C(=O)C(=Cc1ccccc1)c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 2324490589 ALSFVOOKVUKPJL-HSZRJFAPSA-N 440.955 6.881 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OCC(=O)NC1CCCCC1 2324561602 YTTXTHXUJWJMOB-UHFFFAOYSA-N 449.591 5.734 30 10 IKEE COc1ccc(OC)c(C=CC(=O)[C@H](C#N)c2nc(-c3cc(C)ccc3OC)cs2)c1 2324574700 UYSXHTCZWKKBEF-IBGZPJMESA-N 434.517 5.034 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccc(Cl)cc4)cc(C)c3C2=O)cc1 2324611613 LDWINZSKSSUDPE-QGZVFWFLSA-N 447.918 5.979 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1N=Cc1cccc(Br)c1 2325554570 UUSMALRACIYZRT-UHFFFAOYSA-N 433.350 5.307 30 10 IKEE COc1cccc(CCC(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c(C)c3)c2)c1 2325714932 CVRYNAQVCUDSKT-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(OC)c(OC)c3)c2)cc1 2325734665 RGCQFOOUNRHTDH-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1OC(=O)COc1ccc(Cl)cc1 2325750981 XUZQBQUKLWZLQZ-UHFFFAOYSA-N 440.854 5.368 30 10 IKEE C=C(C)CSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1cccnc1 2325912380 FFJFIMFGLCVLHA-UHFFFAOYSA-N 434.352 5.109 30 10 IKEE CCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccc(C(C)C)cc1 2326060628 JCZGBRNIQMADBM-UHFFFAOYSA-N 443.016 6.061 30 10 IKEE CCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1ccccc1Cl 2326331609 ZEJYYDIXDDNABH-UHFFFAOYSA-N 427.017 6.356 30 10 IKEE CCCSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1cccc(OCC)c1 2327208435 SMIPKELEOAKKRX-UHFFFAOYSA-N 438.597 5.381 30 10 IKEE C=CCSc1nnc(CCc2ccc(OC)cc2)n1N=Cc1ccc(N(CC)CC)cc1 2328579661 LQLUQZODGDBRIG-UHFFFAOYSA-N 449.624 5.078 30 10 IKEE Cc1ccc(C=Nn2c(CCc3ccccc3C)nnc2SCc2ccc(F)cc2)cc1 2329473339 JWBUTRIDMRWBOZ-UHFFFAOYSA-N 444.579 5.994 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2ccccc2O)cc1 2330004245 XEUDVCAAZGEKMZ-UHFFFAOYSA-N 428.561 5.100 30 10 IKEE C=C(C)CSc1nnc(-c2cccs2)n1N=Cc1cc(Br)ccc1O 2330580282 VRWMXKYDRBAZDF-UHFFFAOYSA-N 435.372 5.025 30 10 IKEE CC(C)CC(=O)Oc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-] 2330601728 CATMZJHZFFYSEC-UHFFFAOYSA-N 429.472 6.109 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)cc3)c([N+](=O)[O-])c2)cc1OC 2330721930 WRIHUFRPCBGCEI-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)cc2F)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 2331030140 YVXRKGFDQUDPPE-UHFFFAOYSA-N 443.789 5.642 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(SCc2cccc(F)c2)nnc1C1CCCC1 2331048311 INZUYZLNGWMYAW-UHFFFAOYSA-N 438.572 6.037 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)c1cccnc1 2331094141 HUCPJVLDXWQOQL-UHFFFAOYSA-N 443.833 5.527 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(-n4cccc4)cc3)cc2)cc1 2331189525 TWIZCBIHFXKDII-UHFFFAOYSA-N 437.495 5.991 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)cc3)c(OCC)c2)cc1 2331206809 NPTJQYKDVMKALN-UHFFFAOYSA-N 444.527 5.837 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)Oc3ccc(Cl)cc3)cc2)c(C)c1 2331216029 RIVWSGQTZTURGE-LJQANCHMSA-N 434.919 6.226 30 10 IKEE CC(C)Cc1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1cccc2ccccc12 2331459747 QUGRZPSITXQQPW-UHFFFAOYSA-N 449.624 5.053 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cccc4ccccc34)cc2)cc1OC 2331468719 RDOASFKLYOJKLZ-UHFFFAOYSA-N 438.479 5.972 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 2331715515 ZMASSGUMOHKTBS-UHFFFAOYSA-N 445.471 5.644 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2cc(C)cc(C)c2)cc1 2331753605 PSEZURNERRSOCM-UHFFFAOYSA-N 434.919 6.389 30 10 IKEE CC1(C)C[C@@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)[C@@H]1OCc1ccccc1 2339547399 PWUHNUQHNRVJFD-QCNCBESBSA-N 434.389 5.522 30 10 IKEE O=C1/C(=C\c2ccc(-c3ccccc3)cc2)Oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc21 2235170 LVNKVYWJDROHST-JVWAILMASA-N 449.462 6.457 30 10 IKEE O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)O/C(=C/c1ccc(-c3ccccc3)cc1)C2=O 2345706 XNCYFTINFGSUNZ-IGPIJSKVSA-N 444.486 6.589 30 10 IKEE O=C1/C(=C\c2c(Cl)cccc2Cl)CCCC/C1=C\c1c(Cl)cccc1Cl 2549096 ISQLYRSSYXTJMW-HEEUSZRZSA-N 426.170 7.910 30 10 IKEE COC(=O)c1ccc(-c2ccc(/C=C3\S/C(=N\c4ccccc4Cl)NC3=O)o2)cc1 20220890 MHQVCTXHXIKVRG-UNOMPAQXSA-N 438.892 5.278 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 20882953 RWMNAEAZUSRDSH-NZQKXSOJSA-N 431.576 5.777 30 10 IKEE COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(N(C)C)cc2)C3)cc1 21221447 VOTMQYGQQKGDHW-NGOKVRLYSA-N 439.559 5.741 30 10 IKEE CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)cc2Cl)cc1 21236807 IUFIIQOFXPNLOB-DNVCBOLYSA-N 442.386 6.295 30 10 IKEE CC(C)COc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OC(C)C)cc2)C3)cc1 21244139 BSJZOQBGELPFNG-XUZZJYLKSA-N 447.575 5.513 30 10 IKEE Cc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)c(C)c1 21355922 WFQQXUQZBXQPTN-VWLOTQADSA-N 427.504 6.109 30 10 IKEE CC/C=C(\CC)C(=O)c1ccccc1[C@@H](C[C@H](C)CC)NS(=O)(=O)c1ccc(C)cc1 32105747 FDXBWQQSFVREBJ-KYCPIXGNSA-N 441.637 6.380 30 10 IKEE CC(C)(C)c1ccc(/C=C2/Oc3cc(OC(=O)c4ccc5c(c4)OCO5)ccc3C2=O)cc1 33797655 GYLYNPFQYSJXBG-WYMPLXKRSA-N 442.467 5.548 30 10 IKEE COC(=O)C[C@@H]1[C@@H]([C@@]2(C)CCC=CC2=O)CC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)C 34626392 BYFNYXBXWHLCSW-IEIVMEHVSA-N 430.673 6.996 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)C)cc2)c1 34953926 JGGQJIMHSNQOBC-RUZDIDTESA-N 440.543 5.600 30 10 IKEE Cc1ccc([C@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)c(C)c1 35268918 KNQJMCSHVHVPRN-PVHODMMVSA-N 429.523 5.588 30 10 IKEE C/C(=N/Nc1nc(SCC(=O)Nc2ccc(C)c(C)c2)n[nH]1)c1ccc2ccccc2c1 59022082 FMIPGPQRJISELG-PKAZHMFMSA-N 444.564 5.142 30 10 IKEE O=C(CSc1nc2ccc(/N=C/c3ccc(F)cc3)cc2s1)Nc1ccccc1F 59502679 MQINYOSRTJNRNX-BRJLIKDPSA-N 439.512 6.056 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C\c2csc(N(C(C)=O)c3cccc(C)c3C)n2)c1 96924494 DIJKCCCZVIDOIJ-LUAWRHEFSA-N 436.533 5.358 30 10 IKEE CCCOc1c(Cl)cc(/C=C/C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1OC 97554390 GOVWBWWXOITIAI-ZNFPLGDCSA-N 444.984 6.184 30 10 IKEE CCOc1ccc(/N=C2/S/C(=C/c3ccccc3)C(=O)N2c2ccc(OCC)cc2)cc1 100242445 XZNYWKZYTUABSV-CFEZCKOSSA-N 444.556 6.293 30 10 IKEE Cc1c(C(=O)Oc2cccc3ccccc23)oc2c1/C(=N\Nc1ccccc1)CC(C)(C)C2 101109111 OXGHFWMQIVJJLB-SWKFRHMKSA-N 438.527 6.749 30 10 IKEE CCCCCCCOc1ccc(C(=O)N(Cc2ccco2)Cc2ccc([C@@H]3C[C@@H]3C)o2)cc1 101909936 LZCGSEKGHCUKRQ-HFZDXXHNSA-N 449.591 7.188 30 10 IKEE CCCCCCCCCCCn1c([C@H]2CC(=O)N(c3ccccc3F)C2)nc2ccccc21 102202754 WIHFVBZIIIMJNK-QFIPXVFZSA-N 449.614 7.227 30 10 IKEE CCCCCCCCCC(=O)NC1C[C@@H]2CC[C@H](C1)N2CCc1ccc(OC)c(OC)c1 102998246 YMONTXFJDHSGDQ-CWAQXLGLSA-N 444.660 5.499 30 10 IKEE CCNc1ccc(C#N)cc1/N=C1/S/C(=C2/Sc3ccccc3N2CC)C(=O)N1CC 104005863 UGQCCWISLYGAJD-QWVHCNFLSA-N 449.605 5.374 30 10 IKEE C=CCn1c(CCc2ccccc2)nnc1SCCC(=O)Nc1cccc(NC(=C)C)c1 105155816 GNSUUSJECPNDQD-UHFFFAOYSA-N 447.608 5.316 30 10 IKEE CCCCCOc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SC)cc1OCC 169916129 QYYBDKKQHWZGAT-BWAHOGKJSA-N 438.597 5.441 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc(OC)c2)cc1 169931393 QHAZLAUIGOZJQX-HSZRJFAPSA-N 447.918 5.694 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2cccc(OC)c2)cc1 169935387 XHRQFSNYVUWKHH-RUZDIDTESA-N 441.527 5.657 30 10 IKEE CCOc1cc([C@H]2NC(=S)N(C)C(C)=C2C(C)=O)ccc1OCc1cc(C)ccc1C 169936961 NDJYENNVMXIAAS-XMMPIXPASA-N 438.593 5.005 30 10 IKEE CCCCCCCCCOc1ccc([C@H]2NC(=S)NC(C)=C2C(C)=O)cc1OCC 169939090 YPSJCBXGCWKUKF-HSZRJFAPSA-N 432.630 5.597 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccc(O)cc2)c1C 169961112 IGXOYEHBAYMTNR-VWLOTQADSA-N 427.500 5.111 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccc(F)c(F)c2)c1 169968439 JGKVVBVPVKWCHS-QFIPXVFZSA-N 437.417 5.504 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2C)[C@@H]1c1ccccn1 169994076 GWQMIFWUNOZMDF-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2C2CCCC2)cc1 170033824 SUKRAQPVUUTTQS-DEOSSOPVSA-N 433.548 5.559 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccccc2F)cc1 170070074 WTAKILCTBRGSQJ-DEOSSOPVSA-N 445.490 5.624 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccccc1F)c1cc2ccccc2o1 170072407 CYCNISGFYKIAQT-QHCPKHFHSA-N 445.421 5.490 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2ccccc2C)c1 170142964 NVQUOTBZKJXXNF-CJAUYULYSA-N 439.511 5.410 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1cccs1)c1ccc(Cl)cc1 170166986 KFCFOEPDMOHPKJ-LJQANCHMSA-N 427.884 5.319 30 10 IKEE Cc1ccc(-c2csc(C3=C(N)N(c4cccc(OC(F)(F)F)c4)CC3=O)n2)cc1C 170180140 XCCFIDSCYXOPRR-UHFFFAOYSA-N 445.466 5.042 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(OCC)c2)c1 170218630 YXCOTVJZZXAVNK-HSZRJFAPSA-N 435.520 5.005 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2)cc1Cl 170231433 UQOBKPNKOFSUMH-NRFANRHFSA-N 425.912 5.260 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@H]2c2ccc(C)o2)cc1 170300750 UMFQSPMXIPASRV-QHCPKHFHSA-N 431.488 5.332 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccc(C)o2)cc1 170302482 CHCSSNMXVOCWIZ-XMMPIXPASA-N 445.515 5.777 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1c(C)[nH]c2ccccc12 170312149 LERQHCFCKLHSEG-QHCPKHFHSA-N 432.520 5.252 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1sccc1C 170319356 ROEUDZLZNPLMAQ-QGZVFWFLSA-N 438.376 6.132 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(Cl)c1)c1ccccc1 170368587 VHQFBYFPDACPDK-HXUWFJFHSA-N 440.282 5.482 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2C)cc1Cl 170397311 XXCMOCCZZJBFBB-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(Nc3ccccc3)cc2)[C@H]1c1ccc(O)cc1 170449921 WZWHPHKNDFOVGB-VWLOTQADSA-N 442.515 5.651 30 10 IKEE C=C(C)COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc3c(c1)c1ccccc1n3CC)N2 250330117 DDLSFWQYCHTJTL-VXOBPHTGSA-N 434.583 7.596 30 10 IKEE CN(C)c1ccc(/C=C/C=N/N=C2\CC[C@@H]3[C@H]4CC[C@@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]23C)cc1 253534358 KJCIEPRMJJUJPF-NTCGXGMTSA-N 445.695 7.625 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1c(C)n(CC)c2ccccc12 526802074 AOSLJVCPYDGVFJ-YUMHPJSZSA-N 449.599 6.217 30 10 IKEE C[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)CCN1C(=O)OC(C)(C)C 698830771 LKNGYOXAVLKJOL-WAIKUNEKSA-N 449.979 5.763 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)Cc2ccc(Cl)cc2C1 710735418 GWGXMJGGUONKQD-NRFANRHFSA-N 447.760 5.905 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@H](C#N)c1sncc1Br 711917382 IJKGMTFUEGLDTH-CYBMUJFWSA-N 428.739 5.565 30 10 IKEE C[C@@H](CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C)C(=O)O 888085968 ODKUOSVRZSFRNA-YRHBUHEUSA-N 430.629 5.632 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H](CS)[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 1614619759 YEYAPGAMCNUTDX-SMDDNHRTSA-N 429.426 5.605 30 10 IKEE COc1ccc([C@H]2[CH]S/C(=N/c3ccccc3)N2C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 1614963234 INFZHYJEHVRMQR-WIHIBAIXSA-N 448.524 5.276 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc3noc(-c4ccccc4)c3c2)SC1=Nc1nccs1 1772724572 JMZFVUIAIMUARZ-ZWPOCWBHSA-N 444.541 5.741 30 10 IKEE O=C1/C(=C/c2ccccc2F)SC(=NN=Cc2ccc(Cl)cc2)N1Cc1ccco1 1772758344 SAZNLMJUCAEFNY-FIRUFQLUSA-N 439.899 5.579 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)c1ccccc1Br 1861018667 XOEGWNKVPYNDAT-HXUWFJFHSA-N 439.438 5.605 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)/C=C/c1ccc2c(c1)OCCO2 1861567707 DIKKMZISKFGJAK-ZRVKMLQASA-N 444.616 5.013 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(OCC)cc2)n(Cc2ccccc2Cl)n1 1862360563 SYFASLNINZHABK-UHFFFAOYSA-N 435.955 5.465 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(F)cc2)cc1 1862391400 ZKWMGNAUYMCCBL-DEOSSOPVSA-N 444.506 5.342 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccccn2)cc1 1862431833 PIISIGDTRIVVGY-QFIPXVFZSA-N 432.907 5.076 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(Br)cc1 1862453443 ZXURLYWOFURZGA-SFHVURJKSA-N 448.744 5.337 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cc(Cl)c(O)c(OC)c1 1862485205 XRLYTRUVOHNSFO-HXUWFJFHSA-N 443.927 5.131 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccc(Cl)cc2Cl)cc1 1862521401 HVJNIIWQMQRVEJ-HXUWFJFHSA-N 446.330 5.523 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccccc1Cl 1862525927 ADYHOVAOBNMQOO-SFHVURJKSA-N 448.744 5.337 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 1862531848 DBMBDIAZCHKCGY-DEOSSOPVSA-N 445.946 5.723 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1cc(Cl)cc(Cl)c1 1862539641 ZWDFNZOCLVDTHT-HXUWFJFHSA-N 432.347 5.934 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C(C)C)cc1 1862550353 GQROBISEBLFCKO-XMMPIXPASA-N 433.548 5.341 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2ccccc2Cl)cc1 1862594574 GODQQSAQXQUWAP-HSZRJFAPSA-N 447.918 5.175 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(CC)cc1 1862617093 USGWXDNXICTRPW-RUZDIDTESA-N 447.619 6.705 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 1862623726 WIGQLYQOQNGDAK-HXUWFJFHSA-N 443.465 5.767 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccccc2C)cc1 1862648525 DGJZOGPGICSEAG-MHZLTWQESA-N 447.534 6.235 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862687130 GMAOZJHYCXXOQP-DEOSSOPVSA-N 445.490 5.175 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1cc(Cl)cc(Cl)c1 1862706119 OEZDBLCUOOTYCT-LJQANCHMSA-N 434.319 5.380 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2C(C)C)c1 1862726785 OUNPVKDENWSDBG-VWLOTQADSA-N 441.527 5.739 30 10 IKEE CCCOc1cccc(NC2=C(c3ccc(C)cc3)C(=O)N(c3ccccc3C#N)C2=O)c1 1862902773 AECAIRMSMSLSTC-UHFFFAOYSA-N 437.499 5.052 30 10 IKEE Cc1ccc(NC2=C(c3c[nH]c4ccccc34)C(=O)N(c3ccccc3C#N)C2=O)c(C)c1 1863136497 QRTJUORFFILXAY-UHFFFAOYSA-N 432.483 5.053 30 10 IKEE CCCCCN1C(=O)C(Nc2cccc(C#N)c2)=C(c2cc(Cl)ccc2Cl)C1=O 1863388698 WBOBQGSVIWZRMY-UHFFFAOYSA-N 428.319 5.247 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC(C)C)=C(c2ccc(OC(C)C)cc2)C1=O 1863695713 WCFJPJMFKYWVOX-UHFFFAOYSA-N 428.617 5.692 30 10 IKEE CCCCCOc1ccc(/C=C(/C(=O)Nc2cccc(C#N)c2)c2ccccc2)cc1OC 1865909509 ZCJQFIVWKVPZLN-XIEYBQDHSA-N 440.543 6.315 30 10 IKEE CC(C)c1nc(Nc2ccccc2C#N)cc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)n1 1868238794 WTMCYYBQWHNFNO-OAQYLSRUSA-N 433.943 5.447 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)nc(CCOC)n1 1869112300 AGGJAIIEGNGBFH-QHCPKHFHSA-N 434.628 5.483 30 10 IKEE C=CCN(CC=C)c1cc(N2CCN(CC(C)(C)C)CC2)nc(-c2ccccc2Cl)n1 1869234314 UFVZOAKTPQNIGK-UHFFFAOYSA-N 440.035 5.144 30 10 IKEE C=CCn1cc(OCc2ccccc2F)c(=O)cc1CSc1nc2ccccc2s1 1870231455 DMGDOYLQAYWSGW-UHFFFAOYSA-N 438.549 5.654 30 10 IKEE CCCCCCCCCCn1cc(OCCCO)c(=O)cc1CSc1ccccc1 1870237900 POSAUHGVDPPHAZ-UHFFFAOYSA-N 431.642 6.043 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc(C)c2)cn1Cc1ccc(F)cc1 1870619388 MEWZEQGHGNYKJR-UHFFFAOYSA-N 432.539 5.097 30 10 IKEE CCCCCCCCn1cc(OCC)c(=O)cc1CNc1ccc(N(CC)CC)cc1 1870788722 SWYWADCSXRLIPD-UHFFFAOYSA-N 427.633 6.066 30 10 IKEE CCCCOCCCN1COc2c(cc3c(c2C)O/C(=C\c2ccccc2Cl)C3=O)C1 1871355514 CKIFWOUNXUTCGS-HMAPJEAMSA-N 441.955 5.623 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)cc(C)c2C1=O 1871373888 JUCJFTXNQWZUOR-XKZIYDEJSA-N 445.427 5.137 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)CCc4ccccc4)c3C)C2=O)cc1OC 1871385660 GGPSMMWVHIWNBY-JLPGSUDCSA-N 444.483 5.167 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(Cl)cc2)C3=O)c1 1871386953 AUCSUNVILWNGCH-XKZIYDEJSA-N 434.875 5.883 30 10 IKEE C=CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2OC)C3=O)cc1 1871389872 RXNONLKRZJCBKW-IWIPYMOSSA-N 442.467 5.404 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccc(C)c(Cl)c4)ccc3C2=O)cc1 1871401934 NSBDVHZEVIKXKZ-VJUVOTIISA-N 447.918 5.979 30 10 IKEE C[C@@H](Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O)C(=O)Nc1ccc(Cl)cc1 1871414589 OEMYGSCEZNGTFI-JCRYTKJOSA-N 437.854 5.501 30 10 IKEE C[C@@H](NC(=O)COc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O)c1ccccc1 1871424302 FAUMINLNUBQIMK-SFQJQBHZSA-N 425.484 5.115 30 10 IKEE C[C@@H](Oc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1)C(=O)Nc1ccc(C#N)cc1 1871436349 WAPFMAYNNRNAJZ-OAHLLOKOSA-N 444.874 5.391 30 10 IKEE Cc1cc(Cl)ccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O 1871454487 MVGXSGOAYDXTTQ-JJFYIABZSA-N 437.854 5.421 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2Cl)C3=O)c1 1871460267 CVMKNYPVRJRKJS-FMCGGJTJSA-N 447.918 5.899 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)c(Cl)c1)[C@@H](C)CC)S(=O)(=O)CCCC 1871810420 FQIOZILCEXMTSW-JXFKEZNVSA-N 429.026 5.010 30 10 IKEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1cc(C)ccc1C 1871824083 GDPVSCSDIVPDND-HXUWFJFHSA-N 428.598 5.021 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(CC)cc1)C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1872078521 BIVGTTBRRBMMNP-QFIPXVFZSA-N 449.016 5.133 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(C)cc1C)[C@@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1872537789 UBQDEBGQGITZIH-JTSKRJEESA-N 449.016 5.187 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccc(Cl)cc3)n2)cc1 1872768470 UBHCELLFBWGDEA-AUUYWEPGSA-N 426.925 5.506 30 10 IKEE COc1ccc(C)cc1-c1csc([C@H](C#N)C(=O)COc2ccc(Cl)cc2Cl)n1 1872770634 AJALYVGBJRSRRF-OAHLLOKOSA-N 447.343 5.689 30 10 IKEE COc1ccc(OC)c(/C=C/C(=O)[C@H](C#N)c2nc(-c3c[nH]c4ccccc34)cs2)c1 1872777097 GMOXQIHQWNRXOL-KOEDOTQGSA-N 429.501 5.198 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2Cl)C(=O)N(C2CCCCC2)C1=O 1873031718 LRTLTEYUQMUUKJ-UHFFFAOYSA-N 445.047 6.483 30 10 IKEE CCCCCCCCNC1=C(c2ccc(F)c(C)c2)C(=O)N([C@@H]2CCCC[C@H]2C)C1=O 1873152975 OYPOADIHTGUCFP-XMSQKQJNSA-N 428.592 5.743 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2)C(=O)N(CCc2ccccc2)C1=O 1873159441 UXCXRZRHHFSJCN-UHFFFAOYSA-N 432.608 5.740 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C(F)(F)F)c2)=C(c2cccnc2)C1=O 1873268601 CWVUZLWWUPSCAB-UHFFFAOYSA-N 445.485 5.653 30 10 IKEE CCCCCCCCNC(=O)c1cc2c(N3C[C@H](C)C[C@@H](C)C3)ncnc2n1CCCC 1873580893 OBKGSZDKJJHVHN-NHCUHLMSSA-N 441.664 5.804 30 10 IKEE CCSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1c(Cl)cccc1Cl 1874252832 XCSHYBNJFACBCE-ZVHZXABRSA-N 449.407 5.899 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1ccc(N(C)C)cc1 1874287637 PACWVLCTMYWUDX-XIEYBQDHSA-N 425.646 5.968 30 10 IKEE Oc1ccccc1/C=N/n1c(CCc2cccs2)nnc1SCc1ccccc1F 1874371664 KXEPHWWTIOONRA-ZVHZXABRSA-N 438.553 5.144 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccncc1 1874399794 WIKBGPVKWIYRRY-CJHIPLPSSA-N 449.583 6.153 30 10 IKEE Clc1cccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccccc2)c1 1874403242 WKABFTATKLZMMX-YZSQISJMSA-N 432.980 5.891 30 10 IKEE Cc1ccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccccc2[N+](=O)[O-])cc1 1874405147 JFGNXWXMFFEOKH-PCLIKHOPSA-N 449.580 5.792 30 10 IKEE CSc1nnc(Cc2cccs2)n1/N=C/c1ccc(OCc2ccccc2C)cc1 1874411163 KITUGOIBTDACFY-BUVRLJJBSA-N 434.590 5.422 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2ccc(C)cc2)nnc1-c1ccccc1 1874425380 GDBKRLPAPVCICF-OVVQPSECSA-N 442.588 6.217 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2ccccc2Cl)cc1 1874426898 GOTHTBQVNIWESR-ZVHZXABRSA-N 449.923 5.681 30 10 IKEE O=[N+]([O-])c1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2)nnc1-c1ccccc1 1874429314 CYVSQDMOYMJMAN-ZVHZXABRSA-N 449.923 5.681 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874438807 UUZXGQXLBMHZOD-YDZHTSKRSA-N 443.960 5.603 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(F)(F)F)n2/N=C/c2c(F)cccc2Cl)c1 1874461182 AERVOXVYPDMEAB-YCPBAFNGSA-N 442.869 5.881 30 10 IKEE C=CCSc1nnc(-c2ccco2)n1/N=C/c1ccc(OCCCCC)c(OCC)c1 1874468226 YHSWHWMEILBOIY-JJIBRWJFSA-N 440.569 5.666 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1/N=C/c1cccc(C)c1 1874474969 BZSVDYVSFPQJJV-MFKUBSTISA-N 435.597 5.159 30 10 IKEE Cc1ccsc1/C=N/n1c(SCc2c(Cl)cccc2Cl)nnc1C(C)(C)C 1874484844 QODHRPXLTXFMIS-LSHDLFTRSA-N 439.437 6.427 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccccc1C(=O)O 1874525762 DZRNDQDKJPWFLA-LSHDLFTRSA-N 435.336 5.020 30 10 IKEE Cc1ccc(COc2cccc(/C=N/n3c(S)nnc3Cc3ccc(C)c(C)c3)c2)cc1 1874562252 KSCJTFXRERZBRP-JVWAILMASA-N 442.588 5.544 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc3ccccc3c2)c1OCC(=O)Nc1ccccc1 1874572183 ZXJCRZAEDUQEER-WUKNDPDISA-N 437.495 5.762 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccccc2CC)cc1 1874577818 HHVGKNPYGZCELI-OBGWFSINSA-N 429.516 5.561 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2cc(C)ccc2C)cc1 1874579880 MUVXXISTMWRFAI-DTQAZKPQSA-N 443.543 6.006 30 10 IKEE Cc1cc(C(=O)/C=C/c2c(OCC(=O)NC3CCCCC3)ccc3ccccc23)ccc1F 1874580529 SCNQRZDULABEEO-FYWRMAATSA-N 445.534 6.011 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccccc2OCC(=O)Nc2cccc(C)c2C)c1 1874581058 UUDRCUZAAOCSEW-WYMLVPIESA-N 445.515 5.234 30 10 IKEE O=C(/C=C/c1cc(Br)ccc1OCCc1ccccc1)c1ccc(F)c(F)c1 1874584743 DMRNARRHEKOBLD-JXMROGBWSA-N 443.287 6.245 30 10 IKEE CCc1ccccc1NC(=O)COc1ccccc1/C=C/C(=O)c1ccc(OC)c(Cl)c1 1874590938 MCOWPBTVFJEIHR-WYMLVPIESA-N 449.934 5.825 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3cccc(C)c3)c2)cc1 1874595774 CPZWOZLTYXPCAI-XNTDXEJSSA-N 429.516 5.697 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1OCc1cccc(C)c1 1874606547 UIRLFSAXBLTZHT-YRNVUSSQSA-N 441.354 7.176 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc(/C=C/C(=O)c3ccccc3)cc2[N+](=O)[O-])c1 1874614890 VTUYBRQONLKUHV-CSKARUKUSA-N 430.460 5.125 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(OC)c1OCc1ccccc1Cl 1874618790 SYPOYSJVCYCTGS-DHZHZOJOSA-N 440.898 6.280 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3cccc4ccccc34)c(OC)c2)cc1F 1874623538 HZPHXJRRINESOA-JLHYYAGUSA-N 442.486 6.471 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OCC(=O)NCc2ccccc2)cc1 1874635050 FFKZXMWEKCSGNB-GHRIWEEISA-N 441.571 5.884 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)ccc1OCC(=O)OCC(C)C 1874639392 YBQFKLDPLBPDKI-RMKNXTFCSA-N 446.927 5.221 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc(OC)c1OCc1ccccc1 1874639422 YZFRXJSRLKOROT-ACCUITESSA-N 448.946 6.561 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccccc3-c3ccccc3)c2)cc1C 1874696134 KGYHMKAOSNHXAR-BMRADRMJSA-N 448.518 6.786 30 10 IKEE O=C(COc1ccc(Cl)cc1)Oc1cccc(/C=C/C(=O)c2cccc(Cl)c2)c1 1874699123 FMZQZICEKJBNIU-KPKJPENVSA-N 427.283 5.874 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc(C)cc3)c2)cc1Cl 1874714009 ZPRAINGKQDDKPO-FMIVXFBMSA-N 436.891 5.781 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1cccc(/C=C/C(=O)c2ccc(C)c(C)c2)c1 1874714248 LTHUEUVDAAWICJ-FYWRMAATSA-N 430.500 5.583 30 10 IKEE CCOc1cccc(C(=O)Oc2cccc(/C=C/C(=O)c3cc(C(C)(C)C)ccc3C)c2)c1 1874715737 JSHFYAUJVRPNMQ-JQIJEIRASA-N 442.555 6.807 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccccc2OC)CSc2nnc(CC(C)C)n21 1874891630 HYMHCRMEBKRSRT-HXUWFJFHSA-N 444.645 5.547 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(C)cc2C)CSc2nnc(CCOC)n21 1874908577 WMTQORXGJWYNDW-NRFANRHFSA-N 444.645 5.146 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)Cc3ccc(F)cc3)c(OC)c2)cc1 1875099862 CIEFZVZIJUUXDC-NTEUORMPSA-N 448.490 5.450 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(-c4ccccc4)cc3)cc2)c1 1875102747 OJYKTVDHLSJNAY-XDHOZWIPSA-N 434.491 6.478 30 10 IKEE Cc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3Cl)cc2Cl)c1 1875104772 NKARWHRUMHTIFY-WEVVVXLNSA-N 445.729 7.071 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3Cl)cc2OC)cc1 1875110442 LEXIAPSZWJUPLO-RIYZIHGNSA-N 436.891 5.863 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(OC)cc1 1875121743 FIAZTWASMLOICB-NTUHNPAUSA-N 436.891 5.863 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)cc3)c(Br)c2)cc1 1875133061 BPNTWAAZANCXOQ-NTUHNPAUSA-N 435.317 6.181 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)CCOc1ccccc1 1875133985 HLWJXNVZISADMW-JLHYYAGUSA-N 430.500 5.583 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1cc(C)cc(C)c1 1875142436 CFGXLKQAMUOBIH-UXBLZVDNSA-N 432.491 6.265 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(F)c(F)c2)c(Cl)c1 1875143227 PSBKHHBYYFAYJU-XBXARRHUSA-N 442.845 6.051 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@H]2C[C@H]2c2ccccc2Cl)cc1)c1ccc2c(c1)OCO2 1875149814 JKKCHSZYPUNYKJ-GTHXSCLASA-N 446.886 5.674 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(F)c3)cc2Cl)cc1 1875153233 WWRLEDVRRQSLIM-IZZDOVSWSA-N 438.882 6.165 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3C)c(OC)c2)cc1F 1875153431 GTOGKKOKNIOSNR-XYOKQWHBSA-N 448.490 5.586 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2[N+](=O)[O-])c1 1875155366 FDOBQWNXJVMQHG-NTUHNPAUSA-N 445.471 5.842 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1 1875168611 MGUCMTOXEPNCNO-XYOKQWHBSA-N 448.946 6.698 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)cc2)cc1C 1875175961 POVGGUQNQLVGDE-CQTHNFAISA-N 442.555 6.696 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cc(OC)c(OC(=O)C(C)(C)C)c(OC)c1 1875180047 FEDQZOCUKWHRKG-CMDGGOBGSA-N 446.927 5.522 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)Cc1cccs1 1875190136 DFUVWWGKNDBJAL-XBXARRHUSA-N 447.339 6.108 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCC)c2c(Br)ccc(Cl)c2F)C1 1892695008 JZEZBUSWCGTLKU-MRXNPFEDSA-N 447.776 5.506 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@](C)(NC(=O)OC(C)(C)C)c1ccccc1 1922066804 WVOYRHMSNJYCQA-RPLLCQBOSA-N 438.612 5.568 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@]2(C#N)N(C(=O)OC(C)(C)C)C2CCC2)C1 1950304520 HNHFLNCVTFLWEU-DNQXCXABSA-N 433.593 5.240 30 10 IKEE CC(C)(C)OC(=O)NCC[C@H]1CCC[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C1 1950516408 NOTVPJMLOFQESP-QRWLVFNGSA-N 449.514 5.153 30 10 IKEE C#C[C@H](NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC)C(C)(C)C 1984778326 FWBLMXJTHMMAQK-RIEVBORMSA-N 446.591 5.104 30 10 IKEE CCCN[C@H](CC#C[Si](C)(C)C)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2014171787 USYSFYWNRNQLCX-MDNUFGMLSA-N 446.708 5.124 30 10 IKEE CC1(C)C[C@H]([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)N(C(=O)OC(C)(C)C)C1 2033723347 NWAYDFHDERDOKG-RTBURBONSA-N 447.551 5.495 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccccc1Cl)c1cc2ccccc2o1 2033813294 NGJLAANOXOIMLM-OAQYLSRUSA-N 449.915 5.926 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)CCC1(C)C 2038519137 JXOMHRNBZBEXLX-XMMPIXPASA-N 447.551 5.639 30 10 IKEE Cc1ccc2nc(C(Cl)=Cc3cccc(OCc4cccc(C#N)c4)c3)cc(=O)n2c1 2040797621 MKBRELRVHJDJKL-UHFFFAOYSA-N 427.891 5.191 30 10 IKEE C=CCN(CC[C@@H](NCC)c1ccc(Cl)cc1Br)C(=O)OC(C)(C)C 2077746166 RDYYXRQWLSCDGY-QGZVFWFLSA-N 431.802 5.566 30 10 IKEE Cc1ccc([C@@H](C(C)C)n2nc(C(F)(F)F)c(C#N)c2I)c(C)c1 2079083101 WXOUBNWJFJNPPI-CQSZACIVSA-N 447.242 5.240 30 10 IKEE Cc1ccc([C@@H](C2CCC2)n2nc(C(C)C)c(C#N)c2I)cc1C 2079089459 DMEYBVXOHBWSKS-LJQANCHMSA-N 433.337 5.489 30 10 IKEE CC(C)(C)[C@H](c1ccc(C2CC2)cc1)n1nc(C(F)F)c(/C=N/O)c1Br 2079102109 KBBKYXNIFOTTII-VYPBGABDSA-N 426.305 5.904 30 10 IKEE COc1ccc([C@H](C2CCC2)n2nc(C(F)(F)F)c(C#N)c2Br)c(C)c1 2079927228 NNPLMIYMBIFCCK-HNNXBMFYSA-N 428.252 5.243 30 10 IKEE COc1ccc([C@H](C(C)C)n2nc(C(C)(C)C)c(C=NO)c2Br)cc1F 2080118013 NHRBWHYVXPPLTG-INIZCTEOSA-N 426.330 5.144 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCCCC(F)(F)C1 2112642969 GKZHOVZJBGPEGR-GOSISDBHSA-N 429.305 6.052 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCC[C@@]23C[C@@H](CO2)[C@@H]31 2144303167 NZBCEGXPCBSOLN-XVSRIUFKSA-N 433.346 5.042 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](Nc2cc(Br)ccc2C#N)Cc2ccccc21 2162387115 JPGZDWPSSFKVSS-QGZVFWFLSA-N 428.330 5.099 30 10 IKEE CC(C)(C)OC(=O)NC1(c2cccc(Nc3cc(Br)ccc3C#N)c2)CC1 2169062443 XCFVOSLXXDBFIR-UHFFFAOYSA-N 428.330 5.578 30 10 IKEE C=CCN(CC[C@H](NCCC)c1cccc(OC)c1Br)C(=O)OC(C)(C)C 2207365497 NOTCYNFZNQQYSV-KRWDZBQOSA-N 441.410 5.312 30 10 IKEE C=CC1CC(CO)(N(C(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(C)cc2)C1 2211066799 PNOZDBKJGDTYJU-UHFFFAOYSA-N 439.555 6.078 30 10 IKEE CC[C@H](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 2252638275 PFWZPFAOCAYMRJ-BXTJHSDWSA-N 449.514 5.246 30 10 IKEE CCCN[C@H](CC#CC1CCCC1)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2261101840 XGUSFOYANYXZLB-FTBPSBKWSA-N 442.644 5.437 30 10 IKEE C=C(C)CCCC[C@H](NCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2271751697 ZEGYIKYHWJNTOS-IBGZPJMESA-N 425.411 6.583 30 10 IKEE C=C1C[C@@H]1C[C@@H](OCCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2276382128 WWSWZIFCVFKBAG-IXCJQBJRSA-N 443.587 6.217 30 10 IKEE C=CC[C@]1(COc2cc(Br)c(C)cc2N)CCCN(C(=O)OC(C)(C)C)C1 2287853884 CQHXZSFNKOERPQ-NRFANRHFSA-N 439.394 5.312 30 10 IKEE CCC[C@@H](CCNC(=O)OC(C)(C)C)CCC(=O)C#Cc1cccc(Br)c1 2296231306 CCUPKMFMJXKLGL-QGZVFWFLSA-N 436.390 5.481 30 10 IKEE COC(=O)c1ccc2c(c1)C(=O)C(=Cc1cn(-c3ccccc3)nc1-c1ccc(F)cc1)O2 2296724088 JIORRJCEISULCP-UHFFFAOYSA-N 440.430 5.081 30 10 IKEE C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC(=Cc1ccc(OC(F)(F)F)cc1)C2=O 2297101941 GAKVNINHIOJQFK-AHCIIZGASA-N 442.477 6.410 30 10 IKEE CCOc1ccc(N=C2SC(=Cc3cc(Cl)c(O)c(OCC)c3)C(=O)N2CC)cc1 2297462024 UYEFUCBMVPRGOI-UHFFFAOYSA-N 446.956 5.467 30 10 IKEE C=CCN(CC(=C)Br)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1Cl 2314347168 PLMTWIYMDUPDPF-UHFFFAOYSA-N 429.742 5.224 30 10 IKEE CC#CCN(C[C@@H](NCC)c1sc(C)c(C)c1Br)C(=O)OC(C)(C)C 2316095910 WYXQPRJQLFTDLF-OAHLLOKOSA-N 429.424 5.038 30 10 IKEE CC[C@H](C)N(Cc1ccccc1)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(F)(F)F)n1 2317355028 UANVTGMGJVSMEJ-INIZCTEOSA-N 434.311 5.205 30 10 IKEE CCCSc1nnc(CC)n1N=Cc1ccc(OCc2ccc(C)cc2)c(OCC)c1 2321028504 BEJFXFGMLLYIPR-UHFFFAOYSA-N 438.597 5.511 30 10 IKEE O=C1c2ccccc2C(=O)N1N=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 2321708906 GVEWZSZQTWEPJB-UHFFFAOYSA-N 425.271 5.203 30 10 IKEE Cc1ccsc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(C12CC4CC(CC(C4)C1)C2)C3 2322238785 OKJBQDVGEPGXLB-UHFFFAOYSA-N 447.600 6.102 30 10 IKEE COc1ccc(OC)c(C=C2Oc3c(cc4c(c3C)OCN(Cc3cccs3)C4)C2=O)c1 2322307973 KLFSVOPYAWJQGI-UHFFFAOYSA-N 449.528 5.042 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2c(Cl)cccc2Cl)c(C)c1 2322572891 KQDQSVVFOCRPIT-UHFFFAOYSA-N 445.773 7.739 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2cccc(C)c2)cc1 2322607098 JRSQJXNSLNBJMH-UHFFFAOYSA-N 429.516 5.697 30 10 IKEE Cc1cc(OC(=O)c2ccccc2)cc2c1C(=O)C(=Cc1cccc(Br)c1)O2 2322659995 QODOWUOLHCGXCI-UHFFFAOYSA-N 435.273 5.593 30 10 IKEE O=C(COc1ccc2ccccc2c1C=CC(=O)c1ccc(F)cc1)Nc1nccs1 2322748073 RBTCTKCVBOIXQH-UHFFFAOYSA-N 432.476 5.349 30 10 IKEE CCCCCCCCCOc1cccc(NC(=O)C=Cc2cc(OC)ccc2OC)c1 2322775591 ANEUDPJOZFGDIA-UHFFFAOYSA-N 425.569 6.485 30 10 IKEE Cc1c(OC(=O)c2ccc(F)cc2)ccc2c1OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2322781837 DBFVFTGXUBUJEI-UHFFFAOYSA-N 443.257 6.276 30 10 IKEE COc1cc(Br)cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)c1OC 2322937528 PUELNGVBWCTKHK-UHFFFAOYSA-N 425.706 5.333 30 10 IKEE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1 2323423027 XJYDZTCRROTCTK-UHFFFAOYSA-N 440.495 6.054 30 10 IKEE COc1cc(C=Nn2c(S)nnc2C2CCCCC2)ccc1OCc1ccccc1F 2323485270 JCISSRANINMTFV-UHFFFAOYSA-N 440.544 5.223 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 2323503419 UKZWARMXDINAOY-UHFFFAOYSA-N 433.460 5.477 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(CC)cc3)cc2)cc1 2323536266 FIQYUIWXQXJBPK-UHFFFAOYSA-N 441.571 6.505 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCc3ccc(C)cc3)c(OCC)c2)cc1 2323557050 UVIXFQWBFKPPMG-UHFFFAOYSA-N 428.572 7.211 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2F)cc(OC)c1OCc1cccc(F)c1 2323739700 GGMYZHKSTGNOJC-UHFFFAOYSA-N 438.445 6.316 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(OC)c1OCC(=O)OCCC 2323799807 ZHFNDOKENWZKHQ-UHFFFAOYSA-N 428.912 5.305 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OCC(=O)OCC(C)C 2324455705 JLXXMLJCCOXDBN-UHFFFAOYSA-N 436.548 5.515 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCCCCOc4ccccc4C)cc(C)c3C2=O)c1 2324599094 SLQWAYQUJGAIFB-UHFFFAOYSA-N 428.528 6.466 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 2324693962 KJKOTELJZYAOSH-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(O)c(OC)c1 2325532595 LCKYQESNXIAFKO-UHFFFAOYSA-N 430.961 5.163 30 10 IKEE Cc1cccc(C)c1OCC(=O)Oc1cccc(C=CC(=O)c2ccc3ccccc3c2)c1 2325700652 FFJWEVKUHSRHNL-UHFFFAOYSA-N 436.507 6.337 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OC(=O)c1ccco1 2325701433 LTNJIPOMFIWHKT-UHFFFAOYSA-N 432.472 5.291 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1)c1ccccc1Cl 2325717887 HXHXPLKLQDLZGM-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE CCc1ccc(CCC(=O)Oc2cc(C=CC(=O)c3cc(C)ccc3C)ccc2OC)cc1 2325740113 ZVLUGTGEPFGHIX-UHFFFAOYSA-N 442.555 6.309 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(-c3ccccc3)cc2)c1)c1ccc2c(c1)OCO2 2325747405 QBFWPESENPXURC-UHFFFAOYSA-N 448.474 6.198 30 10 IKEE CCCCCCCCC(=O)Oc1cc(C=CC(=O)c2ccc(OC)c(F)c2)ccc1OC 2325748254 YEBXRERTKKSVRY-UHFFFAOYSA-N 442.527 6.395 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OC(=O)c1ccc(Cl)cc1 2325764196 JJAKAWDOFUDRMI-UHFFFAOYSA-N 434.919 6.389 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1OC(=O)c1ccc(F)cc1 2325765000 BOWVAMFTNQWGFA-UHFFFAOYSA-N 446.518 6.556 30 10 IKEE CCCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccc[nH]1 2325812433 MUQFVWBPAJPJPH-UHFFFAOYSA-N 431.993 5.272 30 10 IKEE C=CCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc(OCC)cc1 2326606416 NBYFIKNYVXSBIW-UHFFFAOYSA-N 442.588 5.776 30 10 IKEE Cc1cccc(CSc2nnc(CCOc3ccccc3)n2N=Cc2ccc(O)cc2)c1 2329169391 PSEXPYXLMDJZDA-UHFFFAOYSA-N 444.560 5.088 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccccc3Cl)n2N=Cc2ccc(O)cc2)cc1 2329523916 IFCDDWRUAJBFLQ-UHFFFAOYSA-N 434.952 5.787 30 10 IKEE Fc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2N=Cc2ccco2)cc1 2329856287 KCAVDDIQRZPNLG-UHFFFAOYSA-N 426.904 5.429 30 10 IKEE CCCCOc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCC)cc1OC 2330258823 ISTQFRGRSHTOSL-UHFFFAOYSA-N 430.618 5.583 30 10 IKEE C=C(C)CSc1nnc(Cc2cccs2)n1N=Cc1c(OC)ccc2ccccc12 2330389788 QHWXFFNEBQREKZ-UHFFFAOYSA-N 434.590 5.643 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3cccs3)n2N=Cc2ccc(O)cc2O)c1 2330583865 AFSOQXJPWRJXKV-UHFFFAOYSA-N 436.562 5.209 30 10 IKEE Cc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)CCCC4)cc2[N+](=O)[O-])c1 2330687419 SRAKKJRTCQODMH-UHFFFAOYSA-N 441.483 5.897 30 10 IKEE COc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCCc2ccccc2)c(OC)c1 2330854591 NZYKCCVUCFWRHQ-UHFFFAOYSA-N 438.597 5.101 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H](C)c3ccccc3)c(Cl)c2)cc1C 2330862859 YMBVVCRUAFWXMS-GOSISDBHSA-N 434.919 6.262 30 10 IKEE Oc1ccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2[C@@H]2CCCO2)cc1 2330975680 NYVUARJIBBTOQM-SFHVURJKSA-N 449.363 5.317 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCCC3)n2N=Cc2ccccc2[N+](=O)[O-])c1 2331071840 YAUJLCIVQBVZQB-UHFFFAOYSA-N 435.553 5.635 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)c1cccc(Cl)c1 2331116284 IXCQDDROWRBVGI-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)c1cccs1 2331135883 QFYJTYIRZZODSK-UHFFFAOYSA-N 438.932 6.254 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1ccc(Cl)cc1 2331286614 PYZPITTUPBMNNY-UHFFFAOYSA-N 446.930 6.501 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)CC1CCCCC1 2331333809 CWKTUMSMQXHHMY-UHFFFAOYSA-N 440.511 5.923 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(F)cc2)n1N=Cc1c(Cl)cccc1Cl 2331434388 UPXLPWPRPJNCGP-UHFFFAOYSA-N 437.371 6.097 30 10 IKEE Cc1cccc(CSc2nnc(CC(C)C)n2N=Cc2ccc(Cl)cc2Cl)c1 2331440378 LUBSJYFUGYMCIS-UHFFFAOYSA-N 433.408 6.266 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)c1ccc(C)cc1 2331488545 DPONYSMNOFMKTN-UHFFFAOYSA-N 448.946 6.896 30 10 IKEE COc1cccc(C(=O)Oc2c(Cl)cc(C=CC(=O)c3ccc(F)cc3)cc2OC)c1 2331510439 JUYDRPQAPGGGJX-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE CCCOc1cccc(C=Nn2c(COC)nnc2SCc2ccc(Cl)cc2)c1 2331595761 MZVYVDYPSSSSGN-UHFFFAOYSA-N 430.961 5.041 30 10 IKEE C=C(C)CSc1nnc(CCC)n1N=Cc1ccc(OCCCCCC)c(OC)c1 2331649511 ZUBWJSGUYCVTIR-UHFFFAOYSA-N 430.618 5.749 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2cc(Cl)c(OC)cc2OC)cc1 2331695940 SDWIYXJBECVHED-UHFFFAOYSA-N 430.928 6.129 30 10 IKEE Cc1ccc(CSc2nnc(C3CC3)n2N=Cc2cc(Br)ccc2O)cc1 2331717304 UGNGYOFOABRXQL-UHFFFAOYSA-N 443.370 5.107 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCC)c2cc(C)cc(Br)c2OC)C1 2365214510 BCGDELBIXWJELV-SFHVURJKSA-N 439.394 5.030 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CCC(=O)C#Cc2cccc(Br)c2)C1(C)C 2370401634 LGKFRSHREPHJPG-VQIMIIECSA-N 434.374 5.089 30 10 IKEE CC1(C)CCC[C@](C#N)(Cc2ccc(I)c(Br)c2)CC1 2377406837 FVZPZWWUGSGKFY-QGZVFWFLSA-N 446.170 6.096 30 10 IKEE C=CCn1c(SCC(=O)c2ccc(C)cc2)nc2scc(-c3ccc(C)cc3)c2c1=O 8950476 DPYKYEAQBRYQJN-UHFFFAOYSA-N 446.597 5.903 30 10 IKEE C=C(C)COc1cccc(NC(=O)c2ccc(OCCCCCC)c(Br)c2)c1 9824310 PSVUECOJNRVRHV-UHFFFAOYSA-N 446.385 6.615 30 10 IKEE C=CCn1c(S[C@H](C)C(=O)O[C@H](C)CC)nc2scc(-c3ccccc3)c2c1=O 19651120 VOBPOODRQPTNFJ-HUUCEWRRSA-N 428.579 5.133 30 10 IKEE COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(F)ccc2F)c1 20885521 AZYOXAYXKGRIQV-QMTYFTJSSA-N 432.470 5.953 30 10 IKEE CC(C)Oc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)c(Cl)c2)cc1 21252093 YYVXDKJUOYZTBC-WMZOPIPTSA-N 444.358 5.785 30 10 IKEE CC(C)Oc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)cc2Cl)cc1 21260699 MGNXNYCFROLECR-KXBFYZLASA-N 444.358 5.785 30 10 IKEE CCCn1cc(CN/C(=N/C(=O)c2ccc(C)c(F)c2)Nc2ccccc2CC)c(C)n1 32972983 VMFQNBSSMDLVDT-UHFFFAOYSA-N 435.547 5.010 30 10 IKEE COc1cccc2cc(C(=O)Oc3ccc4c(c3C)O/C(=C\c3ccccc3F)C4=O)oc12 41353895 PWFIHYNERYVAKU-MTJSOVHGSA-N 444.414 5.724 30 10 IKEE N#CCCn1cc(/C=C\C(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)c2ccccc21 96912764 NWRWOYNTZGUVHM-OILJVOJPSA-N 440.572 5.932 30 10 IKEE CCCCOc1ccc(C(=O)N(CCC#N)CCc2ccccc2)cc1Br 100438029 XQAMTOBGQAWZEB-UHFFFAOYSA-N 429.358 5.227 30 10 IKEE CCCCCCCCCCCCCC(=O)Nc1ccccc1OCCCc1ccccc1 100442260 ZXPGAGPOLMPQAC-UHFFFAOYSA-N 437.668 8.338 30 10 IKEE Cc1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1Cl 102613902 GRDAQYUSBOMGDQ-AGGMBTAESA-N 438.310 5.928 30 10 IKEE CSC1=N/C(=N/c2c(C)cccc2C)C2(CCCCC2)N1c1cccc(C(F)(F)F)c1 103731924 DNYKXEIGTZGLEE-SGWCAAJKSA-N 445.554 7.294 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\n2c(S)nnc2C(F)(F)F)cc1OC 169914479 IQUGRAIZYPSYRV-OYKKKHCWSA-N 444.523 5.606 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccc(OC)cc2)cc1 169925098 LTSBYLQBUJSCLO-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE COc1c(Cl)cc(/C=N\Nc2nc(-c3ccc(C)c(C)c3)cs2)c(OC)c1Cl 169941888 QGOFLAHZOPHOHM-AQHIEDMUSA-N 436.364 6.197 30 10 IKEE Cc1ccc(-c2csc(N/N=C\c3ccc(OC(C)C)c(Br)c3)n2)cc1 169942602 UKHHOEMQDMODPO-JJFYIABZSA-N 430.371 6.114 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2cccs2)c1 169982939 XHFYUUKVISGUDY-HSZRJFAPSA-N 431.557 6.271 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@@H]2c2cccnc2)cc1 170003586 OQMWASIXHNXXKW-HSZRJFAPSA-N 442.515 5.171 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 170029635 WWJVMBNIRGCSBA-AREMUKBSSA-N 441.527 5.496 30 10 IKEE COc1ccc(C2=C(Sc3ccc(Cl)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170034505 VMAZVLLIPBULQH-UHFFFAOYSA-N 446.915 5.297 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2ccccc2)=C(N2CCCc3ccccc32)C1=O 170041327 PGOFOIYWCIHGNV-UHFFFAOYSA-N 444.619 6.360 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2cccc(O)c2)c1 170081052 VBTPNANELJYYNZ-JOCHJYFZSA-N 433.891 5.445 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccccc2C)cc1 170088844 RJVQSWCIXHDENH-SANMLTNESA-N 449.506 5.940 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(F)(F)F)cc3)[C@@H]2c2ccco2)c1 170095308 BECLFJJCCXJACC-HXUWFJFHSA-N 441.405 5.698 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)c(Cl)c2)[C@@H]1c1cccc(C)c1 170146736 HDTXMPKJCGWNHR-IBGZPJMESA-N 448.346 5.689 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1cccs1 170159413 FIDJPJPDSXJPDC-LJQANCHMSA-N 439.920 5.501 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cccc(OCC(C)C)c1 170219036 RYASPTXMPBSKIX-QFIPXVFZSA-N 425.500 5.157 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2cccc3ccccc23)c1 170220995 WPZAXEFNTWTSBN-DEOSSOPVSA-N 429.516 5.617 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@H]1c1cccc2ccccc12 170221214 MTSPKRAPUVITKM-XMMPIXPASA-N 427.500 5.153 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccccc2)c(C)c1 170222958 KJNCLCXSFKCMEZ-JOCHJYFZSA-N 435.426 5.065 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2)c1 170230360 AJKATQOVWFOVCJ-HSZRJFAPSA-N 431.488 5.093 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)c(Cl)cc2OC)[C@H]1c1ccccc1 170232937 RNVGGBQFZFZJQQ-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccc(C)o2)c1 170299931 UGEAQHSPFLTXSC-QHCPKHFHSA-N 431.488 5.386 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1Cc1cccs1 170312590 IRZBZFCNUHYTJQ-OAQYLSRUSA-N 445.565 6.050 30 10 IKEE Cc1cccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2nc3ccc(C(C)C)cc3s2)c1 170462457 PHLWLJZWQMFBGS-NRFANRHFSA-N 448.588 6.243 30 10 IKEE C#CCSc1nn([C@@H]2CCOC(C)(C)C2)c(=O)c2c1-c1ccccc1CC21CCCCC1 197598899 JEGLQYFEHDRZJL-HXUWFJFHSA-N 448.632 5.524 30 10 IKEE CCCC[C@H](CC)OC(=O)CSc1nnc(N/N=C(\C)c2ccc3ccccc3c2)[nH]1 253560180 AMEIGTZLJUMQEQ-KXWHUPIZSA-N 439.585 5.398 30 10 IKEE CC(C)(C)c1cc2oc3c(c2c(C=Nc2sc4c(c2C#N)CCCC4)c1O)CCCC3 254579102 NAOZZANXCNOIPO-UHFFFAOYSA-N 432.589 6.877 30 10 IKEE Cc1ccc2nc(-c3cc(N=Cc4ccc(OCc5ccccc5)cc4)ccc3O)oc2c1 254808755 XKJWGLWDKVKGIC-UHFFFAOYSA-N 434.495 6.838 30 10 IKEE ON=C(CCCCCCCCCCC(=NO)c1ccc(O)cc1O)c1ccc(O)cc1O 254818425 IGNPOJGLBWGABI-UHFFFAOYSA-N 444.528 5.467 30 10 IKEE C=C1CC[C@@H](O)C/C1=C/[C@H](O)[C@]1(O)CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C 257372454 KXILCRGOVVVVRF-KHGGJWACSA-N 430.673 5.807 30 10 IKEE CC(C)COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccnc2)cc1 526517607 SJDWDFRCUKCGIL-DEOSSOPVSA-N 425.488 5.045 30 10 IKEE CC(C)COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(F)cc2)c1 526518635 ZRFQTEXTFGRUTD-VWLOTQADSA-N 442.490 5.789 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(N(C)C)cc1 526709684 WCTWOIUAOFZXFG-QHCPKHFHSA-N 446.934 5.497 30 10 IKEE Cc1cc(C)cc(CSc2nncn2/N=C\c2ccccc2OCc2ccccc2)c1 526809393 DIEPBFZDCMHUBC-DICXZTSXSA-N 428.561 5.648 30 10 IKEE CCCOc1ccccc1/C=N\n1c(CCC)nnc1SCc1cccc2ccccc12 526821692 FRKSOHIVXWOSHM-IMRQLAEWSA-N 444.604 6.347 30 10 IKEE Cc1nnc(SCc2cccc(F)c2)n1/N=C\c1ccc(OC(=O)c2ccccc2)cc1 526825020 FUQSZSAVXXVHOX-YSMPRRRNSA-N 446.507 5.119 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1ccc(OC)c(O)c1Cl 526825327 CLLNJZYNQCCCCF-MSXFZWOLSA-N 448.951 5.302 30 10 IKEE CCCCc1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 586259517 CDKKIIPKGUCORP-UHFFFAOYSA-N 438.980 5.950 30 10 IKEE C[C@@H](NC(=O)Nc1cccc(C(=O)Nc2scc(C(C)(C)C)c2C#N)c1)c1ccccc1 586638137 GIUSTEZENBKPHI-MRXNPFEDSA-N 446.576 6.052 30 10 IKEE C=C(CC)C[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCCC 686830499 CMISDCOHJFMWKY-XMMPIXPASA-N 443.676 5.661 30 10 IKEE CC(C)(C)OC(=O)N1CCC([C@](C)(C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)CC1 698874759 PARNEYDWIQKYQB-VWLOTQADSA-N 449.636 5.876 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@](C#N)(N(Cc1cccs1)C(=O)OC(C)(C)C)C2 709472792 WIXBLVOFULHGGQ-HKARXFIJSA-N 447.601 5.167 30 10 IKEE C=CCN=c1scc(-c2ccc([N+](=O)[O-])cc2)n1N=C1CCC(c2ccccc2)CC1 885862501 GTUGOIOOUNBCTD-UHFFFAOYSA-N 432.549 5.773 30 10 IKEE C[C@H]1CN(CN2C(=O)C(=Nc3ccc4c(c3)oc3ccccc34)c3ccccc32)C[C@@H](C)O1 1084566538 ASMAXZXPVOCRLW-HDICACEKSA-N 439.515 5.120 30 10 IKEE CCCCCCCCCCCCCNC(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 1615945884 YNJRZPRKPOWKRK-OAQYLSRUSA-N 430.589 5.165 30 10 IKEE CN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC1=Nc1ccccn1 1772730686 RJAHTZUXOUGMFO-QNPCYTEQSA-N 435.936 5.548 30 10 IKEE Cc1cccc(N=C2S/C(=C/C=C\c3ccccc3[N+](=O)[O-])C(=O)N2C2CCCCC2)n1 1772737500 OZBCQJBVZZASHN-GWYJMLIYSA-N 448.548 5.791 30 10 IKEE Cc1cccc(N2C(=O)CSC2=NN=c2oc3ccccc3cc2-c2ccccc2)c1 1772743125 XSIFSBSEWMOFFN-UHFFFAOYSA-N 425.513 5.360 30 10 IKEE C=CCNC(=O)Oc1cccc2c(NC(=O)Cc3ccc(Br)s3)cccc12 1858946258 KVCSKKSHGFZUFP-UHFFFAOYSA-N 445.338 5.119 30 10 IKEE COc1ccc(-n2nc(C(=O)Nc3ccc(C#N)cc3)cc2-c2cccc3ccccc23)cc1 1859391006 MSDHQNQUGMJPOX-UHFFFAOYSA-N 444.494 5.825 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 1861564469 IPSQHYFOHPIMSK-AKXFXYSNSA-N 446.701 5.712 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1cccc(C)c1 1862412348 BUCSVTYKYCTXHW-AUSIDOKSSA-N 441.518 6.210 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862412851 ORLABBZZNVDINM-QHCPKHFHSA-N 437.486 5.742 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(Cl)cc1 1862470745 VLGWXHIXRJNOGT-KZULUSFZSA-N 448.744 5.479 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1ccccc1 1862513762 DAHPUGLZYTYTRZ-RDGATRHJSA-N 449.591 6.413 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc2c(c1)OCCO2 1862620527 UGHWPACEDYUNJP-MWTRTKDXSA-N 449.547 5.132 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C2CC2)cc1OC 1862624621 ZKXINAKLVALJRZ-HSZRJFAPSA-N 449.547 5.132 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2ccccc2C)cc1F 1862638478 CBCLGERWKWKMCA-DEOSSOPVSA-N 445.490 5.230 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc(Cl)c1 1862712723 YBCFGHBMEHJDAT-QHCPKHFHSA-N 449.934 5.497 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccccc1[N+](=O)[O-] 1862727854 NUECBOQMGCUIBW-HSZRJFAPSA-N 442.471 5.250 30 10 IKEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccccc2)cc1 1862730900 HWEOWQRTGVJSIY-DEOSSOPVSA-N 435.564 6.023 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCCCCCCC)cc2)[C@H]1c1ccc(C)cc1 1862731360 RSMOGUMMLBPGFD-RUZDIDTESA-N 447.575 6.109 30 10 IKEE CC(C)Oc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(C3CCCCCC3)C2=O)cc1 1863356582 HDVAWRRGCCWQGY-UHFFFAOYSA-N 443.547 5.260 30 10 IKEE CCCCCCCCNC1=C(c2ccc(F)cc2)C(=O)N(CCc2ccc(F)cc2)C1=O 1863502090 LANQIAGEPMMUPV-UHFFFAOYSA-N 440.534 5.238 30 10 IKEE C=CCNC1=C(c2ccc(OCCC)cc2)C(=O)N(CCCCCCCCCC)C1=O 1863683665 YUDXUDIINOBQRQ-UHFFFAOYSA-N 426.601 5.472 30 10 IKEE CC(C)c1nc(Nc2ccc(C#N)cc2)cc(N2C[C@H](c3ccccc3)Cc3ccccc32)n1 1868241799 BVEJNXJHXXYQII-XMMPIXPASA-N 445.570 6.693 30 10 IKEE CCCc1nc(Nc2cccc(C#N)c2)cc(N2CCC(Oc3cccc(Cl)c3)CC2)n1 1868379161 YDUGCIVKADLQPU-UHFFFAOYSA-N 447.970 5.746 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3ccccc3[C@H]2C(C)C)nc(Cc2ccccc2)n1 1869071711 FABOKVZXTGWBTE-GDLZYMKVSA-N 438.619 6.006 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC(Oc3ccc(Cl)cc3)CC2)nc(CCC)n1 1869219054 NNMGZNCJOISRMT-UHFFFAOYSA-N 426.992 5.309 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N(CC)CCCC)nn1-c1ccc(OC)cc1 1869983397 YKIZXPHVXQLPPR-UHFFFAOYSA-N 429.609 5.591 30 10 IKEE CCSCc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCc1c[nH]c2ccccc12 1870233103 BMYVUVYTQUSLEQ-UHFFFAOYSA-N 443.572 5.276 30 10 IKEE Cc1nc(SCc2cc(=O)c(OCC(C)C)cn2CCC(C)C)c(C#N)c(C)c1C 1870258730 DEDBUEWSZIYCSE-UHFFFAOYSA-N 427.614 5.413 30 10 IKEE CCCCCCCCn1cc(OC)c(=O)cc1CSc1nc2ccccc2n1CCC 1870297046 FIRJLZVXVJSQNX-UHFFFAOYSA-N 441.641 6.269 30 10 IKEE C=CCn1cc(OCCCCOc2cccc(C)c2)c(=O)cc1CN(CC)CCCC 1870315919 ZFIXPWUJJAWLPU-UHFFFAOYSA-N 426.601 5.203 30 10 IKEE C=CCOc1cn(Cc2ccccc2F)c(CN2CCC(Cc3ccccc3)CC2)cc1=O 1870387836 VMWJKFSQNFAMLT-UHFFFAOYSA-N 446.566 5.055 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(F)cc2)c(CNc2ccc(F)cc2)cc1=O 1870833157 AFEPOCHXJSDRFR-UHFFFAOYSA-N 440.534 6.136 30 10 IKEE C#CCOc1cn(Cc2ccc(Cl)cc2)c(CNc2cccc(C(C)(C)C)c2)cc1=O 1871010078 CHNMMAJTLOSEGU-UHFFFAOYSA-N 434.967 5.472 30 10 IKEE C=CCn1cc(OCc2ccc(C)cc2)c(=O)cc1CNc1ccc(N2CCCCC2)cc1 1871205727 SVADEHFTMUGDTL-UHFFFAOYSA-N 443.591 5.524 30 10 IKEE CCCCCCCCN1COc2cc(C)c3c(c2C1)O/C(=C\C=C\c1ccccc1)C3=O 1871348644 KMDRICQSBJWFRZ-SMDHAYCWSA-N 431.576 6.680 30 10 IKEE COc1ccc([C@@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2ccc(C)cc2)C4=O)cc1 1871354452 QUMOTJMMECJDGG-DBXOKZBGSA-N 427.500 5.533 30 10 IKEE COC(=O)c1ccc(/C=C2\Oc3c(cc4c(c3C)OCN([C@@H]3CCCC[C@@H]3C)C4)C2=O)cc1 1871356127 WOXGDILIJKVGJU-QXGXYENNSA-N 447.531 5.128 30 10 IKEE Cc1c(OC(=O)Cc2ccc(F)cc2)ccc2c1O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871371747 GOTKJFIJHKGYLV-OYKKKHCWSA-N 430.475 6.022 30 10 IKEE CCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(OC)cc2)C3=O)cc1 1871379943 OCUBAVGEOHLILZ-YOVYXIJGSA-N 442.467 5.329 30 10 IKEE CC(C)N(Cc1ccccc1)Cc1c(O)ccc2c1O/C(=C\c1ccc(Cl)cc1)C2=O 1871393861 OHLPACAFYGZZLP-OYKKKHCWSA-N 433.935 6.072 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c(O)cc(C)c2C1=O 1871394131 FTRCRSHTQWQWHI-LYWBRZNZSA-N 431.576 6.026 30 10 IKEE Cc1cccc(OCCCOc2ccc3c(c2C)O/C(=C\C=C\c2ccccc2)C3=O)c1 1871405641 MABDNPGKVNZFRN-BUANEJJOSA-N 426.512 6.324 30 10 IKEE Cc1ccc(OCCCOc2ccc3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)cc1 1871405949 NWTBPNVMFPTWNA-ONUIUJJFSA-N 429.516 5.525 30 10 IKEE CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)o2)C3=O)c1 1871425922 JYUOBAYTGICFBY-NSTHGIQOSA-N 445.471 5.121 30 10 IKEE CCCOC(=O)[C@H](CC)Oc1cc(C)c2c(c1)O/C(=C\c1cn(CC)c3ccccc13)C2=O 1871432359 ACEMLSAYPGEDLJ-XYUXXQEKSA-N 447.531 5.696 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(F)cc2)cc2c1C(=O)/C(=C/C=C/c1ccccc1)O2 1871456500 ILZIZUAQFMZOLS-UPFJJGCZSA-N 429.447 5.324 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCc4cc(=O)oc5ccc(C)cc45)cc(C)c3C2=O)cc1 1871460540 SEXSIJSDKUBZBS-ROTLSHHCSA-N 438.479 5.913 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(Cl)cc1 1872554294 GEPPNNIODZGKTI-JOCHJYFZSA-N 449.016 5.331 30 10 IKEE CCCOc1ccc(N2CC(=O)C(c3nc(-c4ccc(OCC)cc4)c(C)s3)=C2N)cc1 1872726149 MNFXPEBJSZABSV-UHFFFAOYSA-N 449.576 5.023 30 10 IKEE Cc1cc(-c2csc([C@@H](C#N)C(=O)C(c3ccccc3)c3ccccc3)n2)ccc1F 1872771917 FVRXLMHLSUYDFR-NRFANRHFSA-N 426.516 6.266 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3Br)n2)cc1F 1872774723 AFPNTQGGNROSAR-CYBMUJFWSA-N 431.286 5.210 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(OCC(C)C)cc2)=C(c2ccccc2)C1=O 1873415092 HZOZMSXXJKYCLO-UHFFFAOYSA-N 448.607 6.274 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C(F)(F)F)c2)cc2c(N3CCC[C@@H](C)C3)ncnc21 1873657784 OTIYNBOFVZJUAO-OAHLLOKOSA-N 443.473 5.125 30 10 IKEE CCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1/N=C/c1ccc(F)cc1 1874194932 NYBYRHNILRTPJF-YZSQISJMSA-N 440.588 5.721 30 10 IKEE CCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1c(F)cccc1Cl 1874263272 PGGYPYQVTICRGO-LSHDLFTRSA-N 425.316 5.297 30 10 IKEE Cc1ccc(OCc2nnc(SCc3cc(C)ccc3C)n2/N=C/c2ccco2)c(C)c1 1874327208 BTIOCWUIBCZQCK-VULFUBBASA-N 446.576 5.858 30 10 IKEE Oc1cccc(/C=N/n2c(COCc3ccccc3)nnc2SCc2ccc(F)cc2)c1 1874353044 NZKRRGZUQHYXDY-VULFUBBASA-N 448.523 5.014 30 10 IKEE Clc1cccc(CSc2nnc(COCc3ccccc3)n2/N=C/c2ccc[nH]2)c1 1874354434 JRQJWLFKBMYKKR-DHRITJCHSA-N 437.956 5.151 30 10 IKEE C=C(C)CSc1nnc(COCc2ccccc2)n1/N=C/c1c(Cl)cccc1Cl 1874355199 FKUZUDDTQFCRGY-BHGWPJFGSA-N 447.391 5.852 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2/N=C/c2cccnc2)cc1 1874356229 YEHLKKZKEPQXTM-JVWAILMASA-N 427.577 5.364 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2Cl)n1/N=C/c1ccccc1O 1874395339 KEQNTTUXPGJWSS-CIRUFVMISA-N 448.979 5.963 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2cccs2)c(C)c1 1874430105 SPVQRNXFQNDGLX-ZVHZXABRSA-N 447.589 5.236 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(CC(C)(C)C)n2/N=C/c2cccs2)cc1 1874437369 XOONGGWISYFCDC-OEAKJJBVSA-N 441.626 5.104 30 10 IKEE COCCc1nnc(SCc2ccccc2F)n1/N=C/c1c(Cl)cccc1Cl 1874472810 YHZMNAOBHDMWKS-FOKLQQMPSA-N 439.343 5.087 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C2CCC2)c1 1874497574 PUQUCLJHCWLBFG-BHGWPJFGSA-N 447.391 6.041 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccccc1OC(C)C 1874509802 VURGQCFJFFNSBR-DHRITJCHSA-N 446.979 5.985 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C(C)C)c1 1874515181 QEFUYSODMHDNJT-AUEPDCJTSA-N 435.380 5.897 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C(C)C)c(OC)c1 1874515681 KTFAQBDQTPXQNW-FSJBWODESA-N 430.961 5.247 30 10 IKEE COc1ccc(OC)c(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C(C)C)c1 1874515937 XQXBPHBDJVAWMZ-FSJBWODESA-N 430.961 5.247 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C2CC2)cc1 1874517736 IYCWOEOPROTSCV-WGOQTCKBSA-N 438.572 6.038 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1cc(OC)ccc1OC 1874526095 PZZADXNLJNDVMM-MFKUBSTISA-N 432.549 5.185 30 10 IKEE C=C(C)COc1c(/C=C/C(=O)c2ccc(OC)c(C)c2)cc(Br)cc1OC 1874574389 KCFLTKSIJPZRRC-SOFGYWHQSA-N 431.326 5.626 30 10 IKEE CCc1ccc(NC(=O)COc2cccc(/C=C/C(=O)c3ccc(OC)c(OC)c3)c2)cc1 1874594218 YQNMGDDZYMPXSP-GXDHUFHOSA-N 445.515 5.180 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 1874597056 ROSGSXOXXVJCCB-JXMROGBWSA-N 427.327 6.786 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccc(C)cc3C)c2)cc1F 1874597364 IBKVLAVEUATWNV-DHZHZOJOSA-N 433.479 5.365 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OCc1ccc(Cl)c(Cl)c1 1874598012 PIBQYWATBPHQIP-XCVCLJGOSA-N 431.290 6.616 30 10 IKEE O=C(COc1cccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)c1)Nc1ccccc1 1874598253 CTHYOMGHQIOZRI-XMHGGMMESA-N 449.506 6.393 30 10 IKEE CCOC(=O)c1ccc(COc2cccc(/C=C/C(=O)c3cc(C)c(OC)cc3C)c2)o1 1874601102 UEMRMHSFNZIGEO-PKNBQFBNSA-N 434.488 5.557 30 10 IKEE COC(=O)c1ccc(COc2cccc(/C=C/C(=O)c3cc(Cl)ccc3Cl)c2)o1 1874601148 WRFASGBWYPCYNQ-WEVVVXLNSA-N 431.271 5.848 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)ccc1OCC(=O)Nc1cccc(C)c1 1874605363 NAIDVXDVMDDABU-ACCUITESSA-N 445.515 5.316 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 1874610869 PXQONDNCJGPCAQ-QDEBKDIKSA-N 438.823 5.632 30 10 IKEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1Cl 1874615570 FRPMYFNOAOKSKN-XVNBXDOJSA-N 427.711 5.875 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OCc1ccc(C(=O)OC)o1 1874616775 RQLQYYQQWPNJCK-UKTHLTGXSA-N 446.499 5.587 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OCc1ccccc1 1874621144 MFQPUWKEMNVYJQ-CSKARUKUSA-N 436.891 5.943 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)c(OC)c1 1874632533 IEPRGXGJBTVCLV-RIYZIHGNSA-N 445.515 5.234 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1cccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1 1874692448 HHWIKUQOJDETOW-CCEZHUSRSA-N 445.471 5.564 30 10 IKEE C[C@@H](C(=O)Oc1cccc(/C=C/C(=O)c2ccc(Br)cc2)c1)c1ccccc1 1874697034 LFQWOGOFMYPLDA-IUYQLWOBSA-N 435.317 6.054 30 10 IKEE O=C(Cc1ccc(Cl)c(Cl)c1)Oc1cccc(/C=C/C(=O)c2ccc(F)cc2F)c1 1874699877 QWAHBTDDSAJZCX-WEVVVXLNSA-N 447.264 6.316 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cc(C)cc(C)c3)c2)c(OCC)c1 1874714918 ULBFIRRLQZINJF-JLHYYAGUSA-N 444.527 6.216 30 10 IKEE CCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1OC 1875097854 GLVKYRQCALUJCY-DHZHZOJOSA-N 443.337 5.548 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1cccc(F)c1 1875098211 XXHAPZDDNZGWSB-GXDHUFHOSA-N 444.502 6.219 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3OC)c(Cl)c2)cc1C 1875108306 IVEOWISAWYORRQ-DHZHZOJOSA-N 436.891 5.781 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)CCOc1ccccc1 1875119899 SEQXWNLROXIGJJ-FYWRMAATSA-N 446.499 5.365 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Br)c1OC(=O)C1CCCC1 1875128384 DNVLBFMVXJHVSM-OUKQBFOZSA-N 443.337 5.840 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccc(Cl)cc3)cc2)cc1 1875129558 IPTWKLBELHRAPP-REZTVBANSA-N 434.919 6.173 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)c1ccc(C)c(C)c1 1875131294 PWNOYVAJXSOXRF-DHZHZOJOSA-N 448.946 6.698 30 10 IKEE O=C(Cc1ccc(Cl)cc1)Oc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1 1875134011 IPMVEOGUTYIWBB-LFYBBSHMSA-N 445.729 6.691 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)[C@@H]1CCCO1 1875134893 PMZZIDUHKVLMCZ-DJGBTNNQSA-N 428.912 5.336 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3)c(Br)c2)c1 1875139499 LOPVSPANLGEDRI-ZRDIBKRKSA-N 435.317 6.181 30 10 IKEE CC(C)C(=O)Oc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1Br 1875148868 XWROPPQLEPMUJJ-WUXMJOGZSA-N 429.354 6.204 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cc(Cl)ccc2Cl)c(Cl)c1)c1ccc(F)cc1 1875158204 KPMOTMUDLPQGMJ-XLUWADSXSA-N 449.692 6.901 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)COCc1ccccc1 1875158926 UCHJUBLIGNULQY-RIYZIHGNSA-N 434.463 5.243 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C)cc(C)c3OC)cc2)CC1 1875169348 IROLGZLJAOBFGK-SFQUDFHCSA-N 448.603 7.110 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)[C@@H]2CCC[C@@H]21 1926540963 DIBODLBDEMONPJ-RNHFSVANSA-N 441.572 5.105 30 10 IKEE CN[C@H](CC#CC1CCCCC1)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1947488957 ITRGRUKFXHDJPD-DNQXCXABSA-N 428.617 5.048 30 10 IKEE C=C1CCC(C[C@@H](O)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)CC1 1997447456 JRUGEAQCHAPJCY-BVAGGSTKSA-N 429.601 5.328 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1c(Br)ccc(Cl)c1F 2037655047 WCGFKSVEXPIQAT-XJKSGUPXSA-N 435.765 5.362 30 10 IKEE O=C(C=Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(Br)cc1 2040454768 FKKHBJNVBVBWFN-UHFFFAOYSA-N 429.317 6.198 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)c(Br)c1)NCC 2047970419 KELIYJFFWZNQPJ-DLBZAZTESA-N 431.802 5.093 30 10 IKEE CC(C)N[C@]1(C#N)C[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)C[C@@H](C)C1 2055022970 HKAPMEYQGXHTPQ-KGPYPHOUSA-N 432.656 5.070 30 10 IKEE CN[C@H](CC#C[Si](C)(C)C)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2067285896 RUZVAQWTWKFDCL-MRXNPFEDSA-N 425.443 5.328 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)[C@H]1C(C)(C)C 2067838528 NDJANCDKYAEDIX-KBMIEXCESA-N 443.588 5.746 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@]2(C)CCCN2C(=O)OC(C)(C)C)cc1 2076986599 LVLVHKLSBZNHDU-CYFREDJKSA-N 445.560 5.118 30 10 IKEE C=CCC[C@@H](COc1ncc(Br)c2ccsc12)NC(=O)OC(C)(C)C 2078078333 AWCOXJQVNCWXNB-LBPRGKRZSA-N 427.364 5.297 30 10 IKEE Cc1ccc([C@H](C2CC2)n2nc(C(C)(C)C)c(C#N)c2I)c(C)c1 2079072265 VORPUJJUZAPETH-KRWDZBQOSA-N 433.337 5.273 30 10 IKEE CC(C)c1ccc([C@H](C)n2nc(C(C)C)c(C=NO)c2I)cc1 2079903570 DZNOVNLQBRHCOB-ZDUSSCGKSA-N 425.314 5.152 30 10 IKEE CCCC#CC[C@H](N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2083448305 RTJZNUXXXSBIPX-LBNVMWSVSA-N 429.560 5.399 30 10 IKEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(CN(Cc2ccccc2)CC2CCCC2)c1 2095820776 OTPDPYMAONZAES-UHFFFAOYSA-N 435.417 5.187 30 10 IKEE Cc1ccccc1N[C@H](C#N)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134725444 JLAIZHNZYZFDTM-HHHXNRCGSA-N 434.539 6.830 30 10 IKEE CCCCCC#CC[C@@H](NC)c1ccc(I)c(Br)c1 2138995314 XWMNNNKWRZRABM-MRXNPFEDSA-N 434.159 5.288 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1ccc2c(c1)CCC2 2152737546 HBSFYSMUVLUWOZ-FQEVSTJZSA-N 427.342 5.944 30 10 IKEE CC1CCC2(CC1)CC(C#N)(N(C(=O)OC(C)(C)C)c1ccc(Br)cc1)C2 2156630769 CZKOGAHEKHGKHT-UHFFFAOYSA-N 433.390 6.443 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNc2cc(Br)c(C#N)cc2F)CC1 2162292247 WHJGVSBAJKUMLA-HDJSIYSDSA-N 440.357 5.203 30 10 IKEE CC1(C)C[C@H](Nc2cc(Br)c(C#N)cc2F)CCN(C(=O)OC(C)(C)C)C1 2162390558 XMIFQOPZGFVCEK-CQSZACIVSA-N 440.357 5.297 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1ccc(Br)c2cccnc12 2164266998 YBIJZSMBOOHHDB-JOCHJYFZSA-N 425.370 5.811 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1cc(Br)cc(C(F)(F)F)c1 2172411348 CQJVDDLSFSVRDQ-FQEVSTJZSA-N 442.319 6.282 30 10 IKEE CCC#CC[C@@H](NCCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2174138465 NNNHBBSPWLDPJW-WOJBJXKFSA-N 437.422 5.057 30 10 IKEE CCN(C[C@H]1CCCCN1C(=O)OC(C)(C)C)c1cc(Br)c(C#N)cc1F 2174814601 JQLNYIUNEYWSBK-OAHLLOKOSA-N 440.357 5.076 30 10 IKEE C#CCOc1cccc(NCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)c1 2191229988 UUZARABUTNNYMI-UHFFFAOYSA-N 449.550 6.469 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCC[C@@H]2CCCC[C@H]21 2201121520 IGUHFKOZOSRWBM-NBCNXNJRSA-N 433.390 6.443 30 10 IKEE C[C@H](CC1CCN(c2cc(Br)ccc2C#N)CC1)N(C)C(=O)OC(C)(C)C 2203597413 WRPYPIVHUNRTFC-OAHLLOKOSA-N 436.394 5.183 30 10 IKEE CN(C(=O)OC(C)(C)C)[C@H]1CCCC[C@@H]1N(C)c1cc(Br)c(C#N)cc1F 2203606257 KMUDCIDYPVTQEK-IRXDYDNUSA-N 440.357 5.074 30 10 IKEE CCCCCCCC[C@H](CO)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2227102672 BGSLESVEGGYWMN-LJQANCHMSA-N 428.411 6.302 30 10 IKEE C=CCCCC[C@@H](NC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229113396 WZVMFURZTGGARK-RTBURBONSA-N 425.411 5.219 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@@H](O)C#Cc2ccc(Cl)cc2)cc1Br 2231012846 ZYQWQWYNPTWDKR-SFHVURJKSA-N 436.733 5.535 30 10 IKEE C=C(C)CN(Cc1ccccc1)c1c(CN[C@H](C)CC)ccc(Br)c1Cl 2231458161 DLRMXYFFYVLEHC-QGZVFWFLSA-N 435.837 6.573 30 10 IKEE N#CC[C@H](Nc1ccc(Br)cc1I)c1ccccc1 2231675234 UTNHPJNAHWZQJL-AWEZNQCLSA-N 427.083 5.121 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)cc1CC 2237539157 IIFDCXSBUBABMG-UXHICEINSA-N 439.438 5.912 30 10 IKEE CCN[C@@H](CC=CC#CC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2256731525 RIRQSUPBYWVMJI-OEMFJLHTSA-N 442.644 5.459 30 10 IKEE C=C(COCc1ccccc1)[C@]1(OCC(=O)O)CCC(F)(F)C[C@@H]1OCc1ccccc1 2261827836 IOEITIAYNURQJZ-WIOPSUGQSA-N 446.490 5.004 30 10 IKEE C=CCN(C[C@H](NCC)c1cc(Br)cc(C(C)C)c1)C(=O)OC(C)(C)C 2266001758 FTIDOJPFTDHCOJ-IBGZPJMESA-N 425.411 5.646 30 10 IKEE CN[C@@H](C#Cc1ccc(Br)cc1)c1c(C)cccc1NC(=O)OC(C)(C)C 2296308627 KTUWKPZVUPDACS-SFHVURJKSA-N 429.358 5.417 30 10 IKEE Cc1ccc(CN2c3ccsc3C(=O)C(=CNc3ccc(Cl)cc3)S2(=O)=O)cc1 2296957074 ODLCHQYFKXIPSI-UHFFFAOYSA-N 444.965 5.196 30 10 IKEE O=c1c2cc(Br)ccc2nc(C=Cc2ccccc2)n1N=Cc1ccccc1 2313518335 QULIQMXCWCBNKO-UHFFFAOYSA-N 430.305 5.212 30 10 IKEE O=C1C(=NN(c2ccccc2)c2ccccc2)c2ccccc2N1CC=Cc1ccccc1 2313646605 SNSVMOINPWECOM-UHFFFAOYSA-N 429.523 6.289 30 10 IKEE C=CCOC(=O)C=Cc1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1 2314019497 KOLGCPKUESVHBE-UHFFFAOYSA-N 425.681 5.563 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(OCc2ccccc2)cc1 2314443766 IDDMJFKUZHSWNC-DQEYMECFSA-N 438.612 6.166 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](O)c2cc(Cl)cc(Br)c2F)C1 2315498994 HTXYIIVBRSLWPH-OAHLLOKOSA-N 434.733 5.136 30 10 IKEE N#Cc1cc(Br)cc(Oc2cc(Br)cc(Br)c2)c1 2316716742 ARBMJXANKHJTHQ-UHFFFAOYSA-N 431.909 5.638 30 10 IKEE CC(C)=C(CN(C)[C@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]12)B1OC(C)(C)C(C)(C)O1 2317993060 VYWUTQDPCVYATC-KHUIQGCPSA-N 425.422 5.270 30 10 IKEE CCCCCCCCCOc1ccc(C=Nn2c(S)nnc2CCOC)cc1Cl 2321911797 XHKAOXWYRZFJQX-UHFFFAOYSA-N 439.025 5.421 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCc3cccc(C)c3)ccc3ccccc23)cc1OC 2322348150 OGNOFOLWWKLLKK-UHFFFAOYSA-N 438.523 6.641 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1cccc(F)c1)c1ccc(Cl)cc1Cl 2322390974 ANWLGMWRJJDQHU-UHFFFAOYSA-N 435.709 7.261 30 10 IKEE COc1cccc(C=C2Oc3c(cc4c(c3C)OCN([C@H]3CCCC[C@@H]3C)C4)C2=O)c1OC 2322391666 ORGKQXNMWKEVLL-KKSFZXQISA-N 449.547 5.359 30 10 IKEE Cc1ccc(COc2ccc(Br)cc2C=CC(=O)c2cc(C)ccc2C)cc1 2322615602 GADJEOPCPIFIQT-UHFFFAOYSA-N 435.361 6.849 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1 2322684225 QBEYVGOFEUKLGM-UHFFFAOYSA-N 438.542 7.752 30 10 IKEE COc1cccc2cc(C(=O)Oc3ccc4c(c3C)OC(=Cc3ccccc3)C4=O)oc12 2322860228 MNAIWVNUTRXGLK-UHFFFAOYSA-N 426.424 5.585 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccc(C)cc2)cc1Cl 2322974862 YKSMHGZFOIGMHN-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 2323211669 RHXFUYGDSKBNFZ-UHFFFAOYSA-N 425.355 7.592 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc1OCc1ccccc1F 2323231848 VXDFKSVGAOUJNH-UHFFFAOYSA-N 448.534 6.750 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O)c1ccc(Cl)c(Cl)c1 2323259161 OGDNPJWRANKYQH-UHFFFAOYSA-N 429.230 5.968 30 10 IKEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)CN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 2323298751 ANZACMOYCFRVMV-AREMUKBSSA-N 442.600 5.232 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)cc(Cl)c1OCc1ccccc1F 2323471328 JRWFUXSNFKPIFA-UHFFFAOYSA-N 438.926 6.915 30 10 IKEE CCOc1cc(C=Nn2c(S)nnc2C(C)C)ccc1OCc1cccc(Cl)c1 2323476252 CBRNMQXBZVHCDN-UHFFFAOYSA-N 430.961 5.204 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Br)c2)cc(Cl)c1OCCCO 2323656215 NFMLUPBDWGQKBL-UHFFFAOYSA-N 439.733 5.159 30 10 IKEE COc1ccc(-c2csc(NN=Cc3ccc(OCc4ccccc4)c(Cl)c3)n2)cc1 2323839984 WSFGQPDEUOXTCR-UHFFFAOYSA-N 449.963 6.497 30 10 IKEE CCCOC(=O)COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1OCC 2323889956 MQJNUNXFRDVIKJ-UHFFFAOYSA-N 437.319 5.620 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(OC)c1OCc1ccccc1F 2324082609 SEIFAYUGSJUCKB-UHFFFAOYSA-N 436.435 5.047 30 10 IKEE Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccco2)C3=O)c(C)c1 2324331855 PQGLERNNWUYRLV-SFHVURJKSA-N 431.488 5.535 30 10 IKEE COc1cc(C(=O)C=Cc2ccc(OCc3ccc(F)cc3)cc2)c(OC)cc1Cl 2324405878 MPMJAZTUXAUNOF-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE Cc1cc(OCc2ccc(C(=O)OC(C)C)cc2)cc2c1C(=O)C(=Cc1cccs1)O2 2324605355 NHEFLZYPARJXQU-UHFFFAOYSA-N 434.513 5.817 30 10 IKEE Cc1c(OCCOc2ccccc2F)ccc2c1OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2324857831 YVKUWDBFUCJQKH-UHFFFAOYSA-N 435.407 5.116 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CCc2ccccc2OC)nnc1SCCC 2325424553 AKMCHGPNKZGSNS-UHFFFAOYSA-N 436.581 5.021 30 10 IKEE Fc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2cccc(Cl)c2)cc1 2325494584 ZPRUUZXHQOPDDV-UHFFFAOYSA-N 436.943 5.836 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(N(CC)CC)cc1 2325604793 LIAPETJHMFZEDC-UHFFFAOYSA-N 428.005 5.515 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccccc4C(C)C)c3C)C2=O)o1 2325726537 HCYFJGAUORAFIY-UHFFFAOYSA-N 431.488 5.654 30 10 IKEE Cc1cc(C)c(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)c(C)c1 2325736805 DZCXVPYYKIESSB-UHFFFAOYSA-N 445.490 5.693 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OC(=O)COc2c(C)ccc(C)c2C)c1 2325743418 NOFBBCBJSRWKHZ-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1cc(C)ccc1O 2326074855 LKMWCVXZMYVMBJ-UHFFFAOYSA-N 442.972 5.117 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(OC(C)(C)C)cc1 2326251851 AFKDYAKGAURJDV-UHFFFAOYSA-N 426.561 5.722 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CCCOc2c(C)cccc2C)nnc1SC 2326358181 JLLDUXLBOPAXDF-UHFFFAOYSA-N 436.581 5.075 30 10 IKEE CCOc1ccccc1OCc1nnc(SCc2ccccc2)n1N=Cc1ccccc1 2326832522 CBSCRXXZZYQDHU-UHFFFAOYSA-N 444.560 5.430 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1cccnc1 2328021340 NPUFBCSAPLVGIA-UHFFFAOYSA-N 447.995 5.595 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(CCCOc2ccccc2)nnc1SC 2328711653 KNPOCVMELQXRDI-UHFFFAOYSA-N 432.549 5.056 30 10 IKEE Cc1ccc(CSc2nnc(CCCOc3ccccc3)n2N=Cc2ccncc2)cc1 2328711743 RHSGONZANKZTNT-UHFFFAOYSA-N 443.576 5.168 30 10 IKEE CCCCCOc1ccc(C=Nn2c(COc3ccc(C)cc3C)nnc2SC)cc1 2328871424 BYHAEMNMOGCPQJ-UHFFFAOYSA-N 438.597 5.647 30 10 IKEE Cc1ccc(O)c(C=Nn2c(CCc3cccs3)nnc2SCc2ccccc2C)c1 2329636284 NKAQQXADXOAMHP-UHFFFAOYSA-N 448.617 5.622 30 10 IKEE Fc1ccccc1CSc1nnc(Cc2ccccc2F)n1N=Cc1cccs1 2329745777 HXKRPSYAQKCJPW-UHFFFAOYSA-N 426.517 5.383 30 10 IKEE Cc1cccc(CSc2nnc([C@H](C)c3ccccc3)n2N=Cc2ccc(F)cc2F)c1 2330073646 YAHPWJCWOLYJFL-GOSISDBHSA-N 448.542 6.191 30 10 IKEE CCCOC(=O)CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1ccccc1Cl 2330149550 RTPUAEARHACXGS-INIZCTEOSA-N 442.972 5.011 30 10 IKEE CCSc1nnc(-c2cccs2)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2330570664 YYEWQPIWBQYWPD-UHFFFAOYSA-N 434.546 5.220 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2ccc(O)c([N+](=O)[O-])c2)cc1 2330623790 GJPXZFNGEHHBGV-UHFFFAOYSA-N 445.504 5.042 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3ccccc3)nnc2-c2ccccc2)c1 2330670882 VWRKVSSDOKVIHG-UHFFFAOYSA-N 428.561 5.908 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)c(F)c2F)cc1)c1ccc2c(c1)CCCC2 2330678506 BSELCYXUMOGLRY-UHFFFAOYSA-N 436.429 6.098 30 10 IKEE C=C(C)CSc1nnc([C@H]2CCCO2)n1N=Cc1ccc(OCc2ccc(C)cc2)cc1 2330953277 KPCCQTBPBXCPDT-HSZRJFAPSA-N 448.592 5.567 30 10 IKEE Cc1ccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2[C@H]2CCCO2)cc1 2331002058 ALECZTJVHMKLQV-LJQANCHMSA-N 447.391 5.919 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CCCC2)c1 2331086971 JSJVNQCQNFAHFQ-UHFFFAOYSA-N 426.973 5.778 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(F)(F)F)n2N=Cc2c(F)cccc2Cl)c1 2331138278 AERVOXVYPDMEAB-UHFFFAOYSA-N 442.869 5.881 30 10 IKEE CCCCCCOc1ccc(C=Nn2c(SCCC)nnc2C(F)(F)F)cc1OC 2331146909 SETKUEKWSFFOHL-UHFFFAOYSA-N 444.523 5.649 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2OCC)CC1 2331179301 MPJDFZGOYVZDKY-UHFFFAOYSA-N 434.576 6.883 30 10 IKEE Cc1ccsc1C=Nn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccco1 2331225622 CKXPOFLXZFAAFU-UHFFFAOYSA-N 449.388 6.389 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(C)c3)cc2)c1 2331332958 FMXUCRWBBIEGQE-UHFFFAOYSA-N 432.491 6.103 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)COc1ccccc1 2331430285 AXGFAEIJSUXHJY-UHFFFAOYSA-N 444.527 5.873 30 10 IKEE CC(C)Cc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(C(C)(C)C)cc1 2331456831 KYBLGSHGWACKLM-UHFFFAOYSA-N 441.044 6.602 30 10 IKEE C=C(C)CSc1nnc(C2CCC2)n1N=Cc1ccc(OCc2ccccc2)c(OC)c1 2331519725 QAZFSFDMGMWQOS-UHFFFAOYSA-N 448.592 5.684 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)Cc1cccs1 2331539397 BNKCGHNTXQNUAI-UHFFFAOYSA-N 436.504 5.669 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OC(=O)CC3CCCCC3)c([N+](=O)[O-])c2)c1C 2331648899 WDKGGDJUKNGRGH-UHFFFAOYSA-N 449.547 6.600 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1cc(C)ccc1O 2331657699 VZQNJCSIUVMGDZ-UHFFFAOYSA-N 435.380 5.726 30 10 IKEE Cc1ccc(CSc2nnc(C(C)C)n2N=Cc2ccc(Br)cc2)cc1 2331668564 ATRAJFMDLFTMRK-UHFFFAOYSA-N 429.387 5.647 30 10 IKEE Cc1ccc(CSc2nnc(C(C)C)n2N=Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1 2331669796 WHFCPTMCBCKOID-UHFFFAOYSA-N 429.933 5.446 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)CCc1ccccc1 2331673206 PCJNTYQQPXMFLX-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)[C@H]3CCCO3)c(Cl)c2)c1 2331675037 VJJIXPRVZXYXBQ-HSZRJFAPSA-N 444.911 5.118 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1cccc(OC)c1 2331779657 VYEFUNZBMQANNB-UHFFFAOYSA-N 444.527 6.134 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cnc(C)cn3)c(Cl)c2)cc1Cl 2331818838 JVXJDGRYADKOKT-UHFFFAOYSA-N 443.286 5.216 30 10 IKEE C=CCOc1ccccc1C=C1C(=O)N(Cc2ccccc2F)N=C1c1ccc(OC)cc1 2332114280 MBUOCGVRBQQTRV-UHFFFAOYSA-N 442.490 5.229 30 10 IKEE CCCCCCCCCC[C@@H](O)c1ccc(OCc2ccccc2)cc1Br 2361178903 RJCZHNHUQDREKA-XMMPIXPASA-N 433.430 7.592 30 10 IKEE CCCC[C@@H](CC)CSCc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1 2377312616 AHRWLWKEBLYNMU-MRXNPFEDSA-N 441.284 6.198 30 10 IKEE CN(C)c1ccc([C@@H]2CC(c3cccc(/N=C/c4ccccc4)c3)=NN2c2ccccc2)cc1 15772758 PVEPRPBPZKCGHR-CKNUFSEASA-N 444.582 6.859 30 10 IKEE Brc1ccc(N/N=C/c2ccc(N3CCC4(CCCCC4)CC3)cc2)cc1 16955448 ZRRFOVLCDUKQTC-XIEYBQDHSA-N 426.402 6.446 30 10 IKEE Cc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C(C)(C)C)cc2)C3)c1 20882296 QFEJDIRQXATJGI-PZGXJGMVSA-N 436.599 7.272 30 10 IKEE COc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(N(C)C)cc1 20886398 ZBFQKBQRSMLCJU-GDJIYFAZSA-N 439.559 5.741 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C\C(=O)c3ccc(C)cc3)cc2OC)cc1OC 34954330 MWKZGQPESDSWGM-GHXNOFRVSA-N 432.472 5.136 30 10 IKEE C=CCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2[C@H]1c1cccc(OCCCCC)c1 38593656 UWQZOEWVOMSYAN-XMMPIXPASA-N 431.532 5.710 30 10 IKEE C=C(C)C(=O)NCCCCCc1nc2ccccc2n1CCCCOc1c(C)cccc1C 40219830 CZENMQMLIOHLKS-UHFFFAOYSA-N 447.623 5.917 30 10 IKEE COc1cccc2cc(C(=O)Oc3ccc4c(c3C)O/C(=C\c3ccccc3)C4=O)oc12 41353937 MNAIWVNUTRXGLK-BKUYFWCQSA-N 426.424 5.585 30 10 IKEE CCCCCCCCCCCCCCCCNC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1 100067513 SXVBNLVZXGWBKQ-UHFFFAOYSA-N 449.661 6.680 30 10 IKEE CCCCCCCOc1ccc(NCC(=O)Nc2ccc(OCCC(C)C)cc2)cc1 100077419 PCSAZSDVDYMOHA-UHFFFAOYSA-N 426.601 6.511 30 10 IKEE CCCCCCCCCCCCCCCCNC(=S)NC(=O)/C=C/c1ccc(C)o1 100086123 WLFXKQUTRVYZRM-FMQUCBEESA-N 434.690 7.073 30 10 IKEE CCCCCCCOc1cccc(NC(=O)CNc2cccc(OCc3ccccc3)c2)c1 100086964 APMJCZUVZLEUOL-UHFFFAOYSA-N 446.591 6.665 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1 100153403 QNPXROLGXSJFOE-QFIPXVFZSA-N 438.568 5.197 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S/C1=N/c1ccccn1 101124302 UBQGJJSXUNPIQR-PDQZSPQUSA-N 432.461 5.040 30 10 IKEE CCCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC[C@H](C)C3 101140248 VCLKCPBOEZJMOV-SFHVURJKSA-N 440.678 6.943 30 10 IKEE Cc1cc(C)c2nc(N3C(=O)C(=O)/C(=C(\O)c4cccs4)[C@H]3c3ccccc3)sc2c1 102498595 LLWBFZLYYIWVKT-HWCXCKHPSA-N 446.553 5.601 30 10 IKEE CC(C)(CS)COc1c(Br)cc(Br)cc1Br 127127088 RHGILNRMJNJYMP-UHFFFAOYSA-N 433.003 5.309 30 10 IKEE N#Cc1c(Br)cccc1Nc1ccc(Br)cc1Br 168494290 VBHORDJBTJQXPZ-UHFFFAOYSA-N 430.925 5.589 30 10 IKEE CCOc1cc(/C=N/Nc2ccc(OC)c(Cl)c2)ccc1OCc1ccccc1Cl 169877126 RHGOSHKVICYYJG-VULFUBBASA-N 445.346 6.426 30 10 IKEE CCCOc1c(OC)cc(/C=N\Nc2nc(-c3c(C)cc(C)cc3C)cs2)cc1OC 169941426 VJIAAWDKKVDKPO-MXAYSNPKSA-N 439.581 5.987 30 10 IKEE COc1cccc(/C=C2\CN(Cc3ccccc3)CCC2=O)c1OCc1cccc(C)c1 169943067 LHFHOJMUUIJHDE-KOEQRZSOSA-N 427.544 5.441 30 10 IKEE CCCCCOc1ccc(/C=N\Nc2nc(-c3ccc(F)cc3)cs2)cc1OCC 169943070 ZJGUVEIQPZFKMS-MYYYXRDXSA-N 427.545 6.363 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(O)cc2)cc1 169959468 RGSKEONHOMYNGI-XMMPIXPASA-N 443.499 5.055 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2ccc(O)cc2)c1 169963687 NICUYVUMBDVIAD-QFIPXVFZSA-N 435.426 5.070 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccncc1 170019466 IQBJJECMGSTULX-FQEVSTJZSA-N 439.298 5.480 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccccc2)cc1 170054462 BKHMLVDKSXIGHP-SANMLTNESA-N 449.506 5.627 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccccc2F)cc1 170070529 FACXNXHCNWPQPZ-NRFANRHFSA-N 437.854 5.271 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccccc1F)c1cc2ccccc2o1 170072406 CYCNISGFYKIAQT-HSZRJFAPSA-N 445.421 5.490 30 10 IKEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2ccco2)cc1 170097047 NJFKLYHJDTWMAH-HSZRJFAPSA-N 431.488 5.074 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cccc(OC)c1 170121043 KMTFKOLLGFJDRB-DEOSSOPVSA-N 433.548 5.343 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccc(O)cc1 170137458 VXIAKLFWXIQIHQ-HSZRJFAPSA-N 437.536 5.196 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2cccc(C)c2)ccc1Cl 170141153 YFYFWEUTVCCDFC-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccs2)c1 170161002 VGROSNVFDGNAOL-JOCHJYFZSA-N 444.512 5.191 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccs2)ccc1OCC(C)C 170166705 NSVZFBNAEAIHQK-JOCHJYFZSA-N 439.577 5.612 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2cccnc2)ccc1Cl 170187280 BJPKEERFFZVLPJ-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccncc2)c1 170199173 GZXPQKQFGMAZGG-QHCPKHFHSA-N 446.478 5.038 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccncc1)c1ccc(Cl)cc1 170204133 SUDSWLQETUUOCF-IBGZPJMESA-N 425.271 5.171 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1cccc(OCC)c1 170218261 DATJVOYKZRTAPI-HSZRJFAPSA-N 432.520 5.335 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1ccccc1C 170271571 SLJGNWSDUAAHCT-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)[C@H]1c1ccc(F)cc1)c1ccncc1 170377765 WZDMXMQXPWCLNE-IBGZPJMESA-N 442.368 5.022 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(OCc2ccccc2)cc1 170437925 MWXBIXHYGFYDTB-DEOSSOPVSA-N 441.527 5.781 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2nc3cc(F)c(F)cc3s2)[C@@H]1c1cccs1 170477030 ZFPSPNAVNIIPLX-OAHLLOKOSA-N 434.489 5.151 30 10 IKEE O=C1/C(=C/c2ccsc2)SC(=Nc2ccccc2)N1CCc1c[nH]c2ccccc12 254396382 MNAPSWWVQNPFKX-WJEPFGLZSA-N 429.570 6.076 30 10 IKEE CCCCCCc1ccc(C(=O)Oc2ccc(C=Nc3ccc(OCC)cc3)cc2)cc1 254828227 HZVUQGCBMOUNCT-UHFFFAOYSA-N 429.560 7.178 30 10 IKEE Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1c2ccccc2cc2ccccc12 254876250 GJVKQYOBCAMLON-UHFFFAOYSA-N 445.547 6.622 30 10 IKEE C=CCC[C@@H](NC(=O)c1ccc(-c2ccccn2)nc1O)c1ccc(C(F)(F)F)cc1 441567186 OWAGAEQESCOETF-GOSISDBHSA-N 427.426 5.305 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(OC)c(Cl)c2)c1 526605340 AXFVPUNVOBFTCE-HSZRJFAPSA-N 446.890 5.286 30 10 IKEE CCCCCOc1ccc(/C=N\n2cnnc2SCc2cccc(Cl)c2)cc1OC 526812178 HXROYXZBWCOEME-QFEZKATASA-N 444.988 5.684 30 10 IKEE CCCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1ccc(C)cc1 526815032 OAQHBCBAXGIDEX-CFRMEGHHSA-N 433.408 6.410 30 10 IKEE CCCCCOc1ccc(/C=N\n2c(C)nnc2SCc2ccc(C#N)cc2)cc1OC 526823424 VECOQSPBZVRHPH-QQXSKIMKSA-N 449.580 5.210 30 10 IKEE C=CCCN(c1ccc(CCCC)cc1)S(=O)(=O)c1ccc(CCCCCC)cc1 586230793 NEIBVNOUNBGAGV-UHFFFAOYSA-N 427.654 6.923 30 10 IKEE N#CCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586240575 FRNZOKCETWYIFL-UHFFFAOYSA-N 433.316 5.505 30 10 IKEE C=C(C)CN(c1ccc(N2CCCC2)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586243084 JTMNOFRNIAWTMJ-UHFFFAOYSA-N 425.381 5.365 30 10 IKEE Cc1ccc(C(=O)NC2CCC(OS(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1C 586509296 ZDLQYRBGHQSFNI-UHFFFAOYSA-N 443.609 5.047 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1ccc(Br)c(Cl)c1 698419344 MRFVFKTYRMCOEL-GOSISDBHSA-N 435.749 6.417 30 10 IKEE C[C@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)CN1C(=O)OC(C)(C)C 710727841 WIVNBCQFJIPFLH-MHECFPHRSA-N 435.609 5.628 30 10 IKEE C=CC(=C)CC[C@H]1[C@](C)(O)CC[C@H]2[C@@](C)(OC(=O)/C=C\c3ccc(O)cc3)CCC[C@@]21C 725432032 SBUYGPWQNKTLNC-KMBLCLDHSA-N 438.608 6.197 30 10 IKEE CCCOc1ccc(Br)cc1/C=C/C(=O)c1ccc(C(F)(F)F)nc1O 731562781 GGUCFAKUWAAVGM-ZZXKWVIFSA-N 430.220 5.253 30 10 IKEE C=CCc1cc(/C=C2\S/C(=N\C)N(C)C2=O)cc(OCC)c1OCc1cccc(F)c1 1084422482 CHHWCTWLCTWFBB-ZHUSSGSBSA-N 440.540 5.064 30 10 IKEE CCOC(=O)c1ccc(N=C(SCc2c(C)c(C)c(C)c(C)c2C)N2CCCC2)cc1 1088733906 QVTYJYJPNJJYJU-UHFFFAOYSA-N 438.637 6.422 30 10 IKEE O=C(OCc1ccccc1)N1C[C@H](c2cc(C(F)(F)F)ccc2Cl)[C@@H](CS)C1 1614629248 QOVOQBTXLRARAV-PBHICJAKSA-N 429.891 5.641 30 10 IKEE CC(C)(C)c1ccc(-c2nn(-c3cccc(C(F)(F)F)c3)cc2/C=N\NC(N)=S)cc1 1857807064 SNYJDNNHTLRECY-PPDIBHTLSA-N 445.514 5.023 30 10 IKEE Cc1cccc(NC(=S)N/N=C\c2cn(-c3ccc(C)c(C)c3)nc2-c2cccs2)c1 1857809337 ROXQCTPMQOIJTN-QFEZKATASA-N 445.617 5.847 30 10 IKEE COc1ccc(-c2nc3ccc(C(=O)Nc4sc5c(c4C#N)CCCC5)cc3o2)cc1 1859742787 CNIIKVMEFQUVLC-UHFFFAOYSA-N 429.501 5.568 30 10 IKEE CCCOc1ccc(/C=N/NC(=S)NC(c2ccccc2)c2ccccc2)cc1OCC 1860499274 HXEROKHWVFMAKJ-ZXVVBBHZSA-N 447.604 5.462 30 10 IKEE CCCOc1ccc(/C=C/C(=O)C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1OCC 1860728650 RNOGWOSNGOUWPB-MHWRWJLKSA-N 444.531 5.839 30 10 IKEE CCCCCCCCCCNC(=O)c1cc(CCc2ccccc2)n(-c2ccc(C)cc2)n1 1862316603 ATYAOTZSKLPJIQ-UHFFFAOYSA-N 445.651 6.836 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@@H]1c1ccc(Cl)cc1 1862392441 XVFRRWSADFMNTA-QHCPKHFHSA-N 439.983 6.451 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2Cc2ccccc2)c1 1862456674 XKMOTANUOAQZAX-JOCHJYFZSA-N 437.417 5.191 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc(Br)c3)=C(O)C(=O)N2C2CCCC2)c1 1862523822 QAZAWLAPENAVAT-FQEVSTJZSA-N 440.337 5.278 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(OC)cc2)cc1 1862536409 XNTISQXSAHGJRJ-VWLOTQADSA-N 441.527 5.079 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2cc(C)ccc2C)c1 1862589390 KKVHBJBPPVCQQE-DEOSSOPVSA-N 427.500 5.096 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2Cc2cccs2)cc1 1862615234 JYOOPAICMUCBKT-QHCPKHFHSA-N 445.584 6.133 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C(C)C)cc1OC 1862669719 CREYTNHKEJHPLP-QHCPKHFHSA-N 437.536 5.204 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(Cl)cc2Cl)c1 1862705647 CYLYOIVJBLWHCZ-HXUWFJFHSA-N 446.330 5.523 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccccc1Cl 1862725888 UPPMLWWIKPGHDK-HSZRJFAPSA-N 431.919 5.995 30 10 IKEE CSc1cccc(NC2=C(c3ccc(C)c(C)c3)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1862878961 FKIZVKVCOYIJBY-UHFFFAOYSA-N 439.540 5.294 30 10 IKEE CC(C)(C)c1ccc(NC2=C(c3cccs3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1863113408 QPKDPZGLDMNXNC-UHFFFAOYSA-N 427.529 5.314 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(OC)c(OC)c2)C(=O)N([C@H](C)CC)C1=O 1863523128 WSBFZACXNPYTEW-LJQANCHMSA-N 444.616 5.313 30 10 IKEE N#Cc1c(NC(=O)CCCN(Cc2ccccc2)Cc2ccccc2)sc2c1CCC2 1866046850 HKLUQROJSYVROJ-UHFFFAOYSA-N 429.589 5.530 30 10 IKEE CCCCCCCCCCNC(=O)C[C@H](CC)c1cc(Br)ccc1OC 1868197322 VNYMPYATEBUDDF-SFHVURJKSA-N 426.439 6.598 30 10 IKEE CCCCCCOc1ccc(-n2nnc(C#N)c2NC(=O)c2cccc3ccccc23)cc1 1870152853 OMDQRPFGHUTYHD-UHFFFAOYSA-N 439.519 5.504 30 10 IKEE N#Cc1nnn(-c2ccc(Cc3ccccc3)cc2)c1NC(=O)c1cccc2ccccc12 1870153019 WUQRWCUGVAMYIK-UHFFFAOYSA-N 429.483 5.135 30 10 IKEE CCCCCCCOc1cn(Cc2cccc(C)c2)c(CSc2ccc(C)cc2)cc1=O 1870251620 NJXHKUUMDVZJLA-UHFFFAOYSA-N 449.660 7.155 30 10 IKEE CCCCCCCCCCn1cc(OCCO)c(=O)cc1CNc1ccc(C(C)C)cc1 1870791281 NWDSVRYAZDJYFI-UHFFFAOYSA-N 442.644 6.096 30 10 IKEE CCCCCCCOc1cn(CCCCCCO)c(CNc2ccc(F)cc2)cc1=O 1870839069 JDKQQELSZRWDOK-UHFFFAOYSA-N 432.580 5.501 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OC(C)C)c(=O)cc1CNc1ccccc1 1870907424 PHIIVASHBLVXLZ-UHFFFAOYSA-N 428.573 5.151 30 10 IKEE C=CCn1cc(OCCCCCC)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871124560 ZOMSSRDJPMLUOP-UHFFFAOYSA-N 431.580 6.349 30 10 IKEE CCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1cccc(N(C)C)c1 1871254162 PADCHQXFQGBWFL-UHFFFAOYSA-N 444.579 5.167 30 10 IKEE Cc1ccc(Oc2ccc(-c3nc(C)c(C(=O)Nc4ccccc4C#N)s3)cc2)cc1 1871283679 KXBUCVAHLDPSDY-UHFFFAOYSA-N 425.513 6.343 30 10 IKEE COc1ccc([C@H](C)N2COc3c(cc4c(c3C)O/C(=C\c3ccc(C)o3)C4=O)C2)cc1 1871359665 UWMLDNLWGBZHOL-QWUOEIFBSA-N 431.488 5.434 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc(OC(=O)CCc3ccc(C)cc3)c2C)C1=O 1871367554 QTKMTXCJABKTBY-UQQQWYQISA-N 442.511 5.857 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O)c1cc([N+](=O)[O-])ccc1Cl 1871372683 FWDLOSCOLCYUTJ-UKWGHVSLSA-N 439.782 5.223 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4cc(Cl)ccc4Cl)c3C)C2=O)cc1 1871381425 TXXQHOPQNAKFRP-NHDPSOOVSA-N 439.294 6.446 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c(O)cc(C)c2C1=O 1871394207 KMMHPBBCNGPIOX-YPUAZNMXSA-N 437.605 6.087 30 10 IKEE Cc1cc(O)c(CN2CCOc3ccccc32)c2c1C(=O)/C(=C/c1ccc(Cl)cc1)O2 1871396249 WORMWHKHWIJPHK-XKZIYDEJSA-N 433.891 5.369 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OCCOc4ccccc4)c3C)C2=O)c(OC)c1 1871396975 BGIKMQMYKZWCGH-IWIPYMOSSA-N 432.472 5.086 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)Nc2ccc(F)cc2)cc2c1C(=O)/C(=C/C=C/c1ccccc1)O2 1871403168 TVADAVFKXHNTEV-QSYGWEHOSA-N 443.474 5.713 30 10 IKEE COc1ccccc1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1cccs1)C2=O 1871412511 UDZTZZQCFGTBTL-MNAFEPAFSA-N 435.501 5.087 30 10 IKEE Cc1cc(OCCOc2ccccc2F)cc2c1C(=O)/C(=C/c1cn(C)c3ccccc13)O2 1871417464 VYOZBSZFFUCQSI-QFEZKATASA-N 443.474 5.700 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C)cc4C)cc(C)c3C2=O)c1 1871419028 ZWRNVDUCHOOCOT-CFRMEGHHSA-N 443.499 5.254 30 10 IKEE Cc1cccc(C(C)C)c1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccccc1)C2=O 1871422619 VDFJCRCBYRYRJG-OYKKKHCWSA-N 441.527 6.061 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O 1871430736 ACEWOQYZVLLKAI-SUVVMJBMSA-N 431.463 5.465 30 10 IKEE CC(C)c1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871435264 BRVIJOIDFFSCRO-XAABERSQSA-N 439.511 6.000 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)cc1C)c1ccccc1)S(=O)(=O)c1ccccc1 1872532200 DSMULXOKFYLTKZ-RUZDIDTESA-N 448.588 5.250 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@@H](C)CC 1872613326 OLLXCILEBIHQIU-RXVVDRJESA-N 445.069 5.290 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(Br)c3)n2)cc1 1872762395 LOKDVILFVURPDB-LJQANCHMSA-N 439.378 6.405 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3C)n2)cc1OCCC 1872765949 ADZFDNJVIBOXFZ-HXUWFJFHSA-N 434.561 6.186 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)c(C)c1C 1872778620 PGNRIUFUEPIGBX-OAHLLOKOSA-N 441.896 5.487 30 10 IKEE COc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1OC 1872778649 PVABOHPCQJYXQJ-FHVRUZERSA-N 446.572 5.951 30 10 IKEE COc1ccccc1CC(=O)[C@H](C#N)c1nc(-c2cc(C)c(Cl)cc2OC)cs1 1872784200 PTBIRNDYGJHPFN-INIZCTEOSA-N 426.925 5.208 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C)cc2[N+](=O)[O-])=C(c2cccs2)C1=O 1873405669 QKTWCDURGMDSSN-UHFFFAOYSA-N 441.553 5.517 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C)cc2[N+](=O)[O-])=C(c2ccccc2)C1=O 1873413541 HYOVTGYMYYFCOS-UHFFFAOYSA-N 435.524 5.456 30 10 IKEE COc1cc(/C=N/Nc2ccc(Br)cc2)ccc1OCc1ccc(C)cc1 1873498759 HPKBIGWALQBFAW-ZVHZXABRSA-N 425.326 5.791 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C(F)(F)F)[nH]1 1873500506 ZAMFULFKRUZIBL-QPJQQBGISA-N 434.274 5.415 30 10 IKEE C=CCSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1ccccc1O 1874198629 KWGJNVPLAKCSGF-NLRVBDNBSA-N 444.560 5.309 30 10 IKEE CCCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1cccc(OC)c1 1874213818 HAIFETRURJXRFN-LFVJCYFKSA-N 444.988 5.336 30 10 IKEE C=CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccc(F)cc1 1874217944 NNFCVINOELWCLN-WYMPLXKRSA-N 430.936 5.427 30 10 IKEE Cc1ccc(/C=N/n2c(COCc3ccccc3)nnc2SCCc2ccccc2)cc1 1874355682 WHRUHJCNLOOGIX-OVVQPSECSA-N 442.588 5.520 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(F)cc3)n2/N=C/c2ccccc2F)c1 1874378205 ISQSKUZWPMVFMF-JFLMPSFJSA-N 434.515 5.630 30 10 IKEE CSc1nnc(C2CCCC2)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1874451721 MYDOIJZCUCNQGQ-ZVHZXABRSA-N 426.973 5.772 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCCC3)n2/N=C/c2ccccc2C(=O)O)c1 1874455624 BMSJMDBATZIXER-AFUMVMLFSA-N 434.565 5.425 30 10 IKEE O=[N+]([O-])c1cccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C(F)(F)F)c1 1874461639 YENPXMYIRKAHRA-LSFURLLWSA-N 441.822 5.033 30 10 IKEE C=C(C)CSc1nnc(CCCC)n1/N=C/c1ccc(OCCCCCC)c(OC)c1 1874476032 FLOKMDYCIPMFEB-KOEQRZSOSA-N 444.645 6.139 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874476987 CXABHRILFCOQBM-YDZHTSKRSA-N 443.960 5.665 30 10 IKEE COc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2cccc3ccccc23)cc1 1874490868 OKUFIYVDLUGVQJ-WGOQTCKBSA-N 430.577 5.813 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CC3)n2/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 1874519977 VJIHNIRXDXJTGG-FOKLQQMPSA-N 441.944 5.508 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Cl)cc(OC)c1OCc1ccc(Cl)cc1 1874576968 PAKVUSDOSYPIAP-FMIVXFBMSA-N 443.326 6.486 30 10 IKEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(Cl)cc1)NCc1ccccc1 1874578283 FXPKAUSEAKOTRH-XYOKQWHBSA-N 440.326 5.585 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(Cl)cc2)cc1 1874578285 FZGMSCSSQYSOSP-WUXMJOGZSA-N 440.326 6.215 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2cccc3ccccc23)c1OCc1cccc(C)c1 1874583279 GDHOGCFRKJQOTI-BUHFOSPRSA-N 442.942 7.285 30 10 IKEE O=C(COc1cccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1)NCc1ccccc1 1874596524 QOOFFRALCIDFOD-FMIVXFBMSA-N 440.326 5.585 30 10 IKEE CCOC(=O)c1ccc(COc2cccc(/C=C/C(=O)c3cc(C(C)(C)C)ccc3C)c2)o1 1874600001 NXLISPPNGCZGFD-SDNWHVSQSA-N 446.543 6.537 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCc3ccccc3Cl)c2)c2ccccc12 1874601098 TWSDWWXANGUWNV-FYWRMAATSA-N 428.915 6.977 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)cc([N+](=O)[O-])c1OCc1ccccc1C 1874611114 BJJNEVRBKRLWPX-BUHFOSPRSA-N 447.487 5.786 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)c(Cl)c2)c(C)c1 1874615379 UZOIURFZPGDTNV-YPNIWSFNSA-N 447.962 6.109 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OCC(=O)Nc1ccc(C)cc1 1874618862 WOCOXHCVFZRYJB-UKTHLTGXSA-N 429.516 5.534 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(Br)c1OCCCO 1874622951 DPLSRBJVCYAOMM-ZHACJKMWSA-N 441.321 5.268 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1C(C)C 1874627545 PEQMMAAGBIRBJE-JLHYYAGUSA-N 434.963 7.256 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1Cl 1874636034 GGYQIOLUCYOFJA-VMPITWQZSA-N 447.745 7.131 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OCc2ccc(C)cc2)c([N+](=O)[O-])c1 1874639315 UAHJADKZMBOEIB-JXMROGBWSA-N 437.879 6.040 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(CC)cc1 1874668778 NJBYBXPRGZRGNL-SANMLTNESA-N 447.623 5.548 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccccc3Br)c2)cc1C 1874714418 VGELOSCJASGCTL-ACCUITESSA-N 435.317 6.181 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc1OC(=O)c1cccs1 1874715136 FOMFFMYOWZDJTG-SOFGYWHQSA-N 442.920 5.842 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3ccc(C)cc3)c(OC)c2)c1 1875103088 WOWXZASKFZVNQA-JLHYYAGUSA-N 432.472 5.136 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)COc3cccc(C)c3C)c(OC)c2)c1 1875104053 DERPTAKEGOUMRJ-ACCUITESSA-N 446.499 5.201 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)cc3)cc2OC)c1 1875115125 NOGMZMICVSZHCY-RIYZIHGNSA-N 432.472 5.218 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3C)c(OC)c2)cc1 1875115163 PLPCOENHZGEGFK-OVCLIPMQSA-N 430.500 5.447 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc4cc(Cl)ccc4n3)cc2)cc1 1875132130 HDPPAOBJYLBHNK-GIDUJCDVSA-N 427.887 6.312 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2)c(C)c1 1875149100 YLHIUCIJKFZJSS-CXUHLZMHSA-N 442.555 6.481 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OC(=O)Cc1ccccc1 1875154468 GSBJARLPYADDFN-BMRADRMJSA-N 436.507 6.283 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1cncc(C)c1 1875156589 BZGSCZKQHCQPIU-WUXMJOGZSA-N 429.516 6.027 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 1875162687 PQUTUIRDCFQIBN-XLUWADSXSA-N 427.334 5.127 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc(Cl)c1OC(=O)CC(C)C 1875166627 AMKMINLCVGRERW-CSKARUKUSA-N 444.955 6.212 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OC(=O)CC(C)C)c(Br)c2)c1C 1875169039 GFGZFKNDWFUWCN-VQHVLOKHSA-N 443.381 6.530 30 10 IKEE COCCOCC(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1Cl 1875189158 BKVUELJRDHQZBM-QHHAFSJGSA-N 443.710 5.111 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC(C)C)c(Cl)c2)c(OC)c1OC 1875194546 PYNGXRUZLHEUBV-RMKNXTFCSA-N 432.900 5.213 30 10 IKEE CC#CC[C@H](NCCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875661456 OBYSQLGPZRWXFP-WNJJXGMVSA-N 443.587 5.660 30 10 IKEE CC(C)N(CC#CCNC(=O)c1cccc(Oc2ccc(C(F)(F)F)cc2)c1)C(C)C 1891098144 LWLSKSSLISOSPV-UHFFFAOYSA-N 432.486 5.350 30 10 IKEE Cc1cc(Nc2ccc(NC(=O)c3cccc(C#N)c3)cc2)nc(NC2CCCCC2)n1 1891420178 UODHHWMBOCELMZ-UHFFFAOYSA-N 426.524 5.397 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CC2(CCC2)CN1C(=O)OC(C)(C)C 1922108275 SIHQPJLTPANDCN-PKTZIBPZSA-N 428.617 5.307 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CN(C(=O)OC(C)(C)C)CC(C)(C)C2)cc1 1922769651 PUFPOCAMPYYNNP-VWLOTQADSA-N 443.588 5.666 30 10 IKEE CC(C)(C)OC(=O)Nc1ccccc1[C@H](C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1929828990 NAPGHZYABSTCLA-NRFANRHFSA-N 437.540 6.036 30 10 IKEE CCCN[C@H](CC#CC(C)(C)C)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1947478377 WRPMDNJTCDXVCH-DHIUTWEWSA-N 430.633 5.294 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C1(C)C 1987009350 KBSSXRYCVSNZMJ-OPAMFIHVSA-N 435.590 5.071 30 10 IKEE CC[C@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 2014647364 QRIQXCPCZYTFMA-WZONZLPQSA-N 449.979 5.763 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@]1(C#N)CCN(Cc2ccccc2)C(C)(C)C1 2022278360 AKNGOWRWYZAPNX-AREMUKBSSA-N 425.617 5.893 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)[C@@H]1CCSC1(C)C 2033645006 GUKWYROKLQYDIP-JKSUJKDBSA-N 425.392 5.614 30 10 IKEE CCOC(=NC(=NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccc(C)cc1 2053467558 TZCUUCVASQVFQS-UHFFFAOYSA-N 440.952 5.267 30 10 IKEE N#CC1([C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCSCC1 2071354876 LPTYRWRPFRFYRC-AREMUKBSSA-N 445.584 5.915 30 10 IKEE C[C@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)F)c(C=NO)c1Br 2079861570 KRHHXZLIVHBGED-ZCFIWIBFSA-N 430.146 5.159 30 10 IKEE CCCc1ccc([C@@H](n2nc(CC)c(C#N)c2I)C(C)(C)C)cc1 2080006980 SOQVBFWTRGJTEU-GOSISDBHSA-N 435.353 5.510 30 10 IKEE CCCc1ccc([C@@H](n2nc(C(C)C)c(C#N)c2I)C2(C)CC2)cc1 2080042258 FTIDSDSRTGYYGV-LJQANCHMSA-N 447.364 5.825 30 10 IKEE CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCNCCO 2081012815 WRCUIPZUTXISRZ-UHFFFAOYSA-N 441.741 7.322 30 10 IKEE C=CCN(CC[C@@H](Cc1cccc(Br)c1)NCCC)C(=O)OC(C)(C)C 2099288974 WFJFGOLRRFSEST-IBGZPJMESA-N 425.411 5.173 30 10 IKEE CC[C@@H]1CC[C@H](Nc2cc(Br)c(C#N)cc2F)CN1C(=O)OC(C)(C)C 2105984119 VGUBIFIWZCPXSM-UONOGXRCSA-N 426.330 5.050 30 10 IKEE CCc1ccc(Nc2cc(Br)cc(C#N)c2)cc1I 2128722902 HFKMHZFIWJEDOV-UHFFFAOYSA-N 427.083 5.231 30 10 IKEE CN1[C@H]2CC[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c1ccccc1Br)CC2 2154186423 JMGLKAFSMVHYTM-QYWGDWMGSA-N 434.378 5.100 30 10 IKEE CC1(C)OB(c2ccc(Cl)c(NC(=O)c3cc(Cl)c(Cl)s3)c2)OC1(C)C 2156093582 KMZUTZOZAJNAEI-UHFFFAOYSA-N 432.565 5.260 30 10 IKEE C=CC1(C[C@@H](NCCC)c2cc(Br)cc(NC(=O)OC(C)(C)C)c2)CCC1 2168029547 WWHFRGYRUFGWQH-LJQANCHMSA-N 437.422 6.583 30 10 IKEE CCN(c1cc(Br)cc(C#N)c1)[C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 2174809216 XOGVYVLDYVHCIT-LPHOPBHVSA-N 436.394 5.231 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(F)cc1C(=O)Nc1cc(Br)ccc1C#N 2181133399 RWEXMJDJPJPDSI-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE C[C@H](CC1CCN(c2ccc(C#N)cc2Br)CC1)N(C)C(=O)OC(C)(C)C 2203591733 HVIFNZKAPNRFCF-OAHLLOKOSA-N 436.394 5.183 30 10 IKEE CN[C@@H](C#Cc1ccccc1Br)[C@@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C 2235732159 RPEYRQYURZGIFL-RBUKOAKNSA-N 437.422 5.060 30 10 IKEE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)C(=O)C=Cc1ccccc1 2237401302 VUNMDLIKFUARLV-LJQANCHMSA-N 430.342 5.167 30 10 IKEE C=C(COCc1ccccc1)[C@]1(OCC(=O)O)CCC(C)(C)C[C@H]1OCc1ccccc1 2261826637 COZIKOMHEIBIDU-SHQCIBLASA-N 438.564 5.395 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](N)c1cc(Br)cc(C(C)(C)C)c1 2272997241 SINWFJHRCBKJAF-ROUUACIJSA-N 425.411 5.606 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CCC[C@H](C1)[C@@]2(C#N)Nc1ccc(Br)cc1 2285815597 SYADBNGSPSIYLC-XXNZZRGYSA-N 434.378 5.227 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)SC1=S 2293115888 COVOOJUONFCUBA-UHFFFAOYSA-N 436.385 5.960 30 10 IKEE CCOc1cc(C=C2C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccccc1C#N 2294040462 DYWJKEXIFYRURG-UHFFFAOYSA-N 437.499 5.342 30 10 IKEE CC(C)[C@@H](CCNC(=O)OC(C)(C)C)CC[C@@H](O)C#Cc1cccc(Br)c1 2296226549 GPKSRSQZNNCTFO-QUCCMNQESA-N 438.406 5.129 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@H](CC(C)C)NC(=O)OC(C)(C)C 2296296059 JRCAOTTVECQGSJ-PMACEKPBSA-N 437.422 5.108 30 10 IKEE CCC[C@@]1([C@@H](N)C#Cc2ccc(Br)cc2)CCCCN1C(=O)OC(C)(C)C 2296310748 NGRZVFYDJFNTAF-UGKGYDQZSA-N 435.406 5.088 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OCc3c(F)c(F)c(F)c(F)c3F)ccc2C1=O 2296607535 PNDLWUGRRALAMR-UHFFFAOYSA-N 438.373 5.947 30 10 IKEE COc1ccc(C=C2C[C@H]3[C@@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1 2297404291 RZZSYQOCHYTRMK-UMHALFAZSA-N 448.603 6.152 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc(C2CCCCC2)cc1 2297578241 COQSTYJJLXBXGJ-UHFFFAOYSA-N 430.975 7.863 30 10 IKEE SCCCCCCCSc1cc(I)ccc1Br 2300806088 WZISSVHNCMHETR-UHFFFAOYSA-N 445.229 6.026 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(OC(=O)N(c3ccccc3)c3ccccc3)cc2)c1 2314429832 PVARLQJLESAIRH-UHFFFAOYSA-N 449.506 6.928 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(CC)cc2)SC1=Nc1nc(-c2ccccc2)cs1 2314544081 SPUYATCJABKXOT-UHFFFAOYSA-N 431.586 6.163 30 10 IKEE COc1ccc(C=C2Oc3cc(OCc4ccc(C)cc4)cc(C)c3C2=O)c(OC)c1OC 2321743465 KFFYUIXZTNDZRF-UHFFFAOYSA-N 446.499 5.524 30 10 IKEE C=Cc1ccc(COc2cc(C)c3c(c2)OC(=Cc2c(Cl)cccc2Cl)C3=O)cc1 2321876046 HHTRUPYVTBRWMC-UHFFFAOYSA-N 437.322 7.140 30 10 IKEE COc1ccc(CCN2COc3ccc4c(c3C2)OC(=Cc2ccc(C)cc2)C4=O)cc1 2321937346 FOWVNHTXIFBKRA-UHFFFAOYSA-N 427.500 5.014 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1c(F)cccc1Cl)O3)CN(Cc1cccnc1)CO2 2321973134 QVPBWLQGGVVDKC-UHFFFAOYSA-N 436.870 5.151 30 10 IKEE COc1ccccc1CN1COc2ccc3c(c2C1)OC(=Cc1cccc(Cl)c1)C3=O 2321993678 XJPPVDMUIWCEGE-UHFFFAOYSA-N 433.891 5.317 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1cccc(Br)c1)C3=O)CN(CC(C)C)CO2 2322353658 DZBHBTQZEFLYTC-UHFFFAOYSA-N 428.326 5.182 30 10 IKEE O=C(C=Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccc([N+](=O)[O-])cc1 2322474550 QDVMKFCERXDCFA-UHFFFAOYSA-N 443.886 6.877 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(F)c(C)c2)c1OCc1ccc(F)cc1 2322634583 MAXKCGRAAHQDSM-UHFFFAOYSA-N 428.862 6.410 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(F)c(C)c2)c1OCC(=O)Nc1ccccc1C 2322638345 WJHLOIAMQRBBMZ-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OC(=O)c4cccs4)cc(C)c3C2=O)cc1 2322667692 AGCCOUHGBIHRCH-UHFFFAOYSA-N 433.529 5.738 30 10 IKEE COc1ccc(OC)c(C=C2Oc3cc(OC(=O)c4cc5ccccc5o4)ccc3C2=O)c1 2322839790 CHBMKBRIQNUPEI-UHFFFAOYSA-N 442.423 5.285 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2cc(Cl)ccc2OCc2ccccc2)c1 2322860598 FMCCCZCZLWVNAZ-UHFFFAOYSA-N 436.935 6.613 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OCC(=O)Nc1cccc(C)c1C 2323168845 HLBSQXMDCKZKPP-UHFFFAOYSA-N 447.506 5.673 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1Cl)Nc1ccccc1 2323766256 RUJNFXKCRUIFGH-UHFFFAOYSA-N 426.299 5.907 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2ccccc2)cc1[N+](=O)[O-] 2323812363 BDTSDPMFNBPCKK-UHFFFAOYSA-N 430.460 5.071 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OCc1cccc(Cl)c1 2324097565 UTYGQZDZILBILB-UHFFFAOYSA-N 436.891 5.943 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OCc2ccccc2C)c(Cl)c1 2324220814 PVYIBJHGLVZHIW-UHFFFAOYSA-N 448.990 7.430 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OCCCOc4ccccc4)c3C)C2=O)c1OC 2324234622 DSHXYMYKWXAIIY-UHFFFAOYSA-N 446.499 5.476 30 10 IKEE N#C[C@@H](C(=O)C=Cc1ccc(F)cc1)c1nc(-c2ccc(Br)cc2)cs1 2324418700 GNSMUMXLXHHIHA-KRWDZBQOSA-N 427.298 5.601 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)c(OC)c1 2324472517 SLPYKZRTSGDJIN-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2)C3=O)cc1 2324478164 ASHHAVDMLZFNMC-SFHVURJKSA-N 427.500 5.580 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(OCC)c(OC)c3)n2)cc1 2324504996 PWWURVHNTBEIPY-FQEVSTJZSA-N 448.544 5.506 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCCCCOc4cccc(C)c4)c3C)C2=O)cc1 2324574076 JSGRGTDMCKYTPZ-UHFFFAOYSA-N 428.528 6.466 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3)c(Cl)c2)c(OC)c1OC 2324718935 RTHNWXKJZIGEAM-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE COc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1 2324774128 XBTFRUCOKPBBBZ-GOSISDBHSA-N 438.936 5.679 30 10 IKEE CCCOc1c(C=Nn2c(CC)nnc2SCc2cc(C)ccc2C)cccc1OC 2325592916 NXYGNKYCXRRNDZ-UHFFFAOYSA-N 438.597 5.429 30 10 IKEE O=C(CC12CC3CC(CC(C3)C1)C2)Oc1cccc(C=CC(=O)c2ccccc2Cl)c1 2325717936 UZQAAJVAQVEOOT-UHFFFAOYSA-N 434.963 6.748 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(F)cc2)c1)c1cccc(Br)c1 2325720506 ALPOAFVDEPKLKV-UHFFFAOYSA-N 425.253 5.704 30 10 IKEE CCOc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3c(C)cc(C)cc3C)c2)cc1 2325764621 MDIBAVJFJBCCMB-UHFFFAOYSA-N 428.528 6.055 30 10 IKEE CCCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccc(Cl)cc1 2326026159 RBPUERUVXHAZFM-UHFFFAOYSA-N 449.407 5.981 30 10 IKEE CCCSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1ccc(Cl)cc1 2326341690 HLFZCYHJDUQOKQ-UHFFFAOYSA-N 443.016 5.890 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccc(OCC)cc1OCC 2326382388 MTHWHKJDWFLXND-UHFFFAOYSA-N 438.597 5.511 30 10 IKEE CCOc1cccc(C=Nn2c(CC)nnc2SCc2ccccc2Cl)c1OC 2326546554 JCRMMYMUJRFTFZ-UHFFFAOYSA-N 430.961 5.076 30 10 IKEE Fc1ccc(F)c(OCc2nnc(SCc3ccccc3)n2N=Cc2cccs2)c1 2327482281 TUHBKBHDTUFSSS-UHFFFAOYSA-N 442.516 5.371 30 10 IKEE Cc1ccccc1C=Nn1c(COc2ccccc2Cl)nnc1SCc1ccccc1 2327649396 HGPUNVVXZMFCRR-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccccc3)n2N=Cc2cccnc2)CC1 2328156042 AQOVXRROONKIAQ-UHFFFAOYSA-N 433.625 6.312 30 10 IKEE C=C(C)CSc1nnc(COCc2ccccc2)n1N=Cc1ccccc1OCCC 2329336661 VFRWFPRVDQOOQI-UHFFFAOYSA-N 436.581 5.334 30 10 IKEE Cc1ccsc1C=Nn1c(Cc2ccccc2F)nnc1SCCc1ccccc1 2329750447 WXCQTVBWJWZIQY-UHFFFAOYSA-N 436.581 5.595 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(OC)c1OC(=O)C1CCCC1 2330675025 RMSDPGJMXSTGJA-UHFFFAOYSA-N 440.539 6.569 30 10 IKEE CCOc1ccc(C=Nn2c(SCCc3ccccc3)nnc2-c2ccccc2)cc1 2330675197 KJNPQIKNGVCUCW-UHFFFAOYSA-N 428.561 5.561 30 10 IKEE Cc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCC(=O)Nc2ccc(C)cc2)cc1 2330824174 UQMZOXKPVKEDPW-UHFFFAOYSA-N 435.597 5.097 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)c1ccccn1 2330906165 KHXVMIOFULXOAG-UHFFFAOYSA-N 428.271 5.512 30 10 IKEE Oc1ccc(Cl)cc1C=Nn1c(SCc2ccc(Cl)cc2)nnc1[C@H]1CCCO1 2330990559 XUQOFOQETGEMJA-GOSISDBHSA-N 449.363 5.317 30 10 IKEE Cc1ccccc1CSc1nnc(C2CCCC2)n1N=Cc1ccc(Cl)c(Cl)c1 2331031079 VSJUNZANQURGPX-UHFFFAOYSA-N 445.419 6.725 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(C=CC(=O)c2ccccc2OC)cc1OC 2331081497 QSGIFEXDPUHDCZ-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OC(=O)Cc1ccccc1F 2331100747 AIOSTMATIRKYKN-UHFFFAOYSA-N 440.417 5.547 30 10 IKEE CCOc1ccc(CC(=O)Oc2c(OC)cc(C=CC(=O)c3ccccc3)cc2OC)cc1 2331163291 SKBNMMMDQIQCEB-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE CCCSc1nnc(-c2ccco2)n1N=Cc1ccc(OCc2ccccc2)c(OC)c1 2331216406 LIFSHHYRCNTJKP-UHFFFAOYSA-N 448.548 5.510 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(-c2ccco2)n1N=Cc1ccc(Cl)cc1 2331235168 YZHIQVKSAFUUDC-UHFFFAOYSA-N 447.322 6.159 30 10 IKEE CCCCC(=O)Oc1c(OC)cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1OC 2331240193 FMWXFEMMBDIBHX-UHFFFAOYSA-N 437.319 6.002 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1cnc(C)cn1 2331254700 QWEVQJFRTWGXHW-UHFFFAOYSA-N 443.286 5.216 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)CC12CC3CC(CC(C3)C1)C2 2331293570 ZUDTYSSWJLYLMK-UHFFFAOYSA-N 444.571 6.412 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1OCC 2331429225 GDZVJNHZMNSURE-UHFFFAOYSA-N 436.592 7.155 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1cccc(F)c1 2331471237 ZEKUSKADRIWGMP-UHFFFAOYSA-N 437.371 6.097 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)COc1ccccc1 2331503801 IRGPORUNPXNLIM-UHFFFAOYSA-N 444.527 6.089 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 2331541501 UOGIQBOTIHDNDL-UHFFFAOYSA-N 434.507 5.852 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(F)c3)cc2Cl)cc1C 2331558660 YTRJKOIGMNFRHP-UHFFFAOYSA-N 426.846 6.350 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(C)=O)c(Br)c2)cc1C(C)C 2331577406 ILTRHUXUORZMKG-UHFFFAOYSA-N 431.326 5.711 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(C)c3)c([N+](=O)[O-])c2)c(C)c1C 2331618248 ACUVWIVVUBTZNG-UHFFFAOYSA-N 445.471 5.644 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2ccc(OC(=O)Cc3cccs3)cc2)cc1Cl 2331695997 AGECGQZTPOTAFJ-UHFFFAOYSA-N 442.920 5.463 30 10 IKEE CC1(C)CCC[C@](C=O)(Cc2ccc(I)c(Br)c2)CC1 2377435980 YSYHKGYUYHLVMH-QGZVFWFLSA-N 449.170 5.772 30 10 IKEE CCC(CC)n1c(COc2ccccc2Cl)nnc1SCc1ccccc1C#N 11713077 LEGSFBRPGKGUED-UHFFFAOYSA-N 426.973 6.036 30 10 IKEE Cc1ccc(C(=O)C[C@H]2S/C(=N\c3ccc(O)cc3)N(c3ccc(O)cc3)C2=O)cc1C 15054987 ABQCZJJMDXUSNV-KFLFGZTGSA-N 446.528 5.124 30 10 IKEE C=CCn1c(C)nnc1SCC(=O)c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C 21140556 WOXRGENGJCHBFV-UHFFFAOYSA-N 434.487 5.174 30 10 IKEE CCOc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2OC)C3)c1 21227087 PUTVSNDZGHFSFM-HMILPKGGSA-N 440.543 6.073 30 10 IKEE CC(C)Oc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc3ccccc3c2)cc1 21247948 VFLMGPPNCSEHOY-UPVQGACJSA-N 425.528 5.631 30 10 IKEE C=CCOC(=O)c1sc(NC(=O)[C@@H](C)Sc2cc(C)c3cccc(C)c3n2)nc1C 32528779 KXFYKONKHUEJGH-OAHLLOKOSA-N 441.578 5.079 30 10 IKEE O=C(/C=C\c1ccc(NC(=O)c2ccccc2-c2ccccc2C(=O)O)cc1)c1ccccc1 33403143 XNYMPHBZSUCWTP-MNDPQUGUSA-N 447.490 6.200 30 10 IKEE COc1ccc(COc2ccc3c(c2)O/C(=C\c2ccc(-c4ccccc4)cc2)C3=O)cc1 33514150 GDYSJDHFYAACTJ-QRQIAZFYSA-N 434.491 6.557 30 10 IKEE O=C(/C=C\c1ccccc1)C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(F)cc1 35444884 JFWBNPFXPIDHSA-XPXBXICFSA-N 427.475 5.046 30 10 IKEE C=CCNC(=O)c1c(Nc2ccccc2)sc2c(-c3ccc(C)cc3)c(C#N)c(N)nc12 39895268 MMHHYEZLONUVMV-UHFFFAOYSA-N 439.544 5.385 30 10 IKEE C=CCc1ccccc1OCc1nc2ccccc2n1CCCCOc1cccc(C)c1 39907175 ZJNDFUGEHOFHGU-UHFFFAOYSA-N 426.560 6.511 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1ccc(OCC)cc1 40078215 MISOHBNZWJDAEQ-QHCPKHFHSA-N 437.536 5.253 30 10 IKEE C=C(C)C(=O)NCCCCCc1nc2ccccc2n1CCOc1ccc([C@@H](C)CC)cc1 40219791 FFOVTUASCVEXHL-QFIPXVFZSA-N 447.623 6.034 30 10 IKEE O=C(/C=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1 83305983 RZVWOBYKWHSBLJ-BNNQUZSASA-N 433.312 5.657 30 10 IKEE Cc1nc(COc2cccc(/C=C/C(=O)Nc3ccccc3SCCC#N)c2)cs1 97553822 FIQKIEGGKDVZNV-ZHACJKMWSA-N 435.574 5.688 30 10 IKEE CCCCCCCOc1ccc(NC(=O)CNc2cccc(NC(=O)C(C)(C)C)c2)cc1 100101865 UDOBZJUNEQHQBU-UHFFFAOYSA-N 439.600 6.071 30 10 IKEE CCCCCCCCCCCC(=O)N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 100302421 VGOWBSPWUTVAAR-UHFFFAOYSA-N 449.683 7.104 30 10 IKEE CCCCCCCCCCc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 100476869 HEXFYLXFSPRCPS-UHFFFAOYSA-N 428.485 6.405 30 10 IKEE CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(C)cc2)S/C1=N/c1nccs1 101128106 ISSBHRZGXAYKKV-QJYUKRAPSA-N 435.574 5.654 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc(CNc2ncnc3sc(C)cc23)cc1 104050338 ZGEXQQPDOZLJNT-UHFFFAOYSA-N 438.641 6.482 30 10 IKEE CCCCCCOc1ccc(/C=N\Nc2nc(-c3ccccc3OC)cs2)cc1OC 169941440 MIFUCUITWJJGOZ-XYGWBWBKSA-N 439.581 6.232 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccc(OC(C)C)c2)c1 169979732 NQNJTHLYESTZRH-DEOSSOPVSA-N 443.499 5.265 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2ccc(OC)cc2)=C(N2CCC[C@@H](C)C2)C1=O 170029872 QRPYGUOIPIWHTQ-OAQYLSRUSA-N 440.628 5.648 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 170066575 OXUGOLDOACYBOB-HYBUGGRVSA-N 445.515 5.314 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2c[nH]c3ccccc23)cc1 170078362 JSRRLKJWNOWMFK-DEOSSOPVSA-N 444.531 5.478 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)CCc2ccccc2)=C(O)C(=O)N1c1ccc(N(C)C)cc1 170087370 FYSYSVRNJYLATJ-AREMUKBSSA-N 440.543 5.163 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@@H]2c2ccco2)c1 170089820 NJMQSOIMKHOPEE-QHCPKHFHSA-N 447.487 5.168 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2sccc2C)cc1 170106318 BTVNYEUSVBAELR-NRFANRHFSA-N 433.529 5.465 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1cccc(C)c1 170143021 REKGSWKHJFUCII-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cc4cc(Cl)ccc4o3)=C(O)C(=O)N2C2CCCC2)c1 170148714 ZFFJKIPGLWNWST-JOCHJYFZSA-N 435.907 5.916 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(OC(C)C)cc1 170152011 DSNHZTUUSLIQJI-QFIPXVFZSA-N 425.500 5.300 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccc(OC(C)C)cc1 170152533 JJNXXZOFAXICDU-QFIPXVFZSA-N 449.503 5.217 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccs2)cc1C 170155977 RXGZIEMCHVGLKF-OAQYLSRUSA-N 437.492 5.296 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@@H]1c1cccnc1 170187616 VSYHBAKQBOPGEI-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2)cc1C 170221883 VYARHCBGQXPDBC-HSZRJFAPSA-N 447.556 5.624 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccc2)cc1C(C)C 170228769 NVYPTMSOFACXMJ-RUZDIDTESA-N 441.527 5.910 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@H]1c1ccccc1F 170252611 GNYAUNBPJSBNQX-JOCHJYFZSA-N 425.500 5.336 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(CC)cc2)c1 170265358 OPDXGBUJLNZCQG-RUZDIDTESA-N 441.527 5.821 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2c2ccccc2)cc1 170265508 DMWCVFPEFZGDDC-DEOSSOPVSA-N 427.500 5.349 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)(C)C)c2)[C@H]1c1ccccc1C 170276915 UNGKYJKSATXIRK-HSZRJFAPSA-N 435.564 5.680 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccco2)cc1C 170284747 BIIXBQAJFUFEJQ-HSZRJFAPSA-N 447.487 5.168 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2ccco2)cc1 170290508 DZWLDMLEYIXZEI-NRFANRHFSA-N 439.414 5.130 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2sccc2C)cc1 170316335 ZDHGQWXOVFZYGT-FQEVSTJZSA-N 437.517 5.217 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc(Br)cc2)=C(O)C(=O)N1C1CCCC1 170319620 JDMPCPPLHSNTEQ-QGZVFWFLSA-N 446.366 5.340 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1c1cccc(C(F)(F)F)c1 170406005 BNZLCZXPSCZDKS-INIZCTEOSA-N 449.475 5.920 30 10 IKEE CC(C)C(=O)C1=C(O)C(=O)N(c2nc3ccc(C(C)(C)C)cc3s2)[C@H]1c1ccccn1 170479591 ZUMZSXPLKLCGIP-IBGZPJMESA-N 435.549 5.114 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(I)cc2C)c1 243122186 JIFYVFGNRKPKMG-UHFFFAOYSA-N 434.321 5.690 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C(C)C)cc1)N2 250565574 CQBVXCZRZFFYER-DXBVXKBHSA-N 448.632 5.999 30 10 IKEE Cc1ccc2oc(-c3ccc(N=Cc4cccc(I)c4)cc3)nc2c1 252592761 BGPZVNFGAVWQIN-UHFFFAOYSA-N 438.268 6.158 30 10 IKEE N#Cc1ccc(CON=Cc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1 254600756 ITUGZYKDTFTZMP-UHFFFAOYSA-N 448.522 6.267 30 10 IKEE COc1cc(/C=C2\C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cc2c1OCO2 254702741 FBJLPYMCBZFUML-NKJAWGJESA-N 436.592 6.419 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1ccc(C(=O)O)cc1 526814625 JFOYVYSLDQBMSS-KSEXSDGBSA-N 449.363 5.410 30 10 IKEE CCOc1cccc(/C=N\n2cnnc2SCc2ccc(Cl)c(Cl)c2)c1OC 526814859 PMROOHQSOPQGSB-RMORIDSASA-N 437.352 5.167 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccccc1OC 526818183 VLYRZOGESXGGQN-CFRMEGHHSA-N 432.952 5.596 30 10 IKEE CCCCOc1cccc(/C=N\n2c(CCC)nnc2SCc2cc(C)ccc2C)c1 526818862 DTVCQUJHJJBWBE-ONUIUJJFSA-N 436.625 6.201 30 10 IKEE Cc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2cccc3ccccc23)cc1 526821870 OPWKLOPDAUALCS-CEUNXORHSA-N 448.595 6.505 30 10 IKEE CC(C)Oc1c(Cl)cc(/C=N\n2cnnc2SCc2ccc(C#N)cc2)cc1Cl 526822885 NSORUUJJFQYMET-MRUKODCESA-N 446.363 5.418 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)c1 698416549 ATSHCHNAPYXPNU-HOYKHHGWSA-N 429.561 5.418 30 10 IKEE CC(C)N1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Br)CC1 698453813 GZAZTMARFGTKEA-NRFANRHFSA-N 436.394 5.347 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]([C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccccc2)C1 699649000 YBYIOVBREYOPPH-MHECFPHRSA-N 429.561 5.357 30 10 IKEE CCCCCCCCCC[C@@H](CN(Cc1ccccc1)C(=O)OC(C)(C)C)NCCC 701375152 CRLNBWSXKTZIRK-VWLOTQADSA-N 432.693 7.323 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 710701268 DDGSPQAHVBNIRZ-DEOSSOPVSA-N 432.495 6.411 30 10 IKEE CCCCCCCCNC(=O)c1ccc(I)c(Br)c1 721338253 WFRQIFUYGVUUEJ-UHFFFAOYSA-N 438.147 5.144 30 10 IKEE CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc3nc(O)oc3c2)cs1 794715655 OHVSKDNDDWLXGU-UITAMQMPSA-N 439.880 5.224 30 10 IKEE CCOc1cc(C=NNCc2ccccc2OC)cc(Cl)c1OCc1ccc(F)cc1 1084320309 BFIYVDPCYAAICX-UHFFFAOYSA-N 442.918 5.589 30 10 IKEE N#CCCn1cc(/C=C/C(=O)Nc2ccc(SCc3cccnc3)cc2)c2ccccc21 1087652590 SEUDMXQTDYFMDJ-MDWZMJQESA-N 438.556 5.894 30 10 IKEE C=CCN1C(=O)/C(=C\c2c[nH]nc2-c2ccccc2)SC1=Nc1nc2ccccc2s1 1772724492 WZGRRXMAOFRWTB-LMEPTBFJSA-N 443.557 5.476 30 10 IKEE O=C(O)c1ccc(N=C2S[C@@H](Cc3ccc(Cl)cc3)C(=O)N2Cc2ccco2)cc1 1772727990 BWNOPIJFEAEOAG-IBGZPJMESA-N 440.908 5.006 30 10 IKEE O=C1/C(=C\c2c(F)cccc2Cl)SC(=Nc2ccncc2Cl)N1c1ccccc1 1772738307 UEQQMWDYSUYKRA-QNCHGFICSA-N 444.318 6.336 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2)SC(=NN=Cc2ccc(O)cc2)N1Cc1ccco1 1772758123 PDOVIQGBJXRZLU-GBUPQRAWSA-N 437.908 5.145 30 10 IKEE CCCCCCCOc1cccnc1NC(=O)Nc1ccc(OCCCCCC)cc1 1858854460 YCLOCKKWWUVAQO-UHFFFAOYSA-N 427.589 7.034 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)c1cccc(Br)c1 1861333922 QGBZHWGHZOQPTM-JOCHJYFZSA-N 439.438 5.605 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](NC(=O)c1ccc(OCCCCCC)cc1)c1ccccc1 1862136489 YDMIKRMFJNRTIU-RUZDIDTESA-N 434.580 5.317 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccc(F)cc2)cc1 1862391342 YIWXJQKERCGLKK-HSZRJFAPSA-N 439.527 5.172 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 1862394185 JWRZSZKMFIQHHZ-OAQYLSRUSA-N 446.374 6.323 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1Cl)c1ccc(F)cc1F 1862416901 LTTCNLGBYQWFQF-OAQYLSRUSA-N 439.845 5.397 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cccc2ccccc12)c1ccccc1Cl 1862434617 CSESGQBOVBPSMW-QHCPKHFHSA-N 431.919 6.014 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862444656 DCLPCACKKOEFIQ-DEOSSOPVSA-N 445.946 5.989 30 10 IKEE CCN(CC)CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1C 1862475095 DAYAUDCAMJJQRX-XMMPIXPASA-N 434.580 5.004 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862477407 LUAWJMKALZIGFJ-XMMPIXPASA-N 440.474 5.394 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 1862478706 OSGZOTNMTWJMTH-HSZRJFAPSA-N 446.503 5.372 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccc(F)cc2)ccc1F 1862501435 CCSBDUCHRLBSFP-QHCPKHFHSA-N 437.486 5.742 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc(Cl)cc2)ccc1F 1862503535 ZHUCHPSSYRCMBS-ZFGLAFRWSA-N 441.930 5.945 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cccc2ccccc12 1862549104 IIHHPTNSBIVRIL-DWXRJYCRSA-N 439.555 6.095 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C2CC2)cc1 1862582857 OGOZRQWCFQJROT-LJQANCHMSA-N 432.303 5.133 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccccc2)cc1 1862616593 USAQBSHFEYIHBU-VWLOTQADSA-N 443.587 6.453 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2F)cc1 1862673603 NEWCQGABJQBQQS-QHCPKHFHSA-N 433.454 5.094 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1cccc(O)c1)c1ccc2ccccc2c1 1862713474 PKBIZAMUWDITMA-RUZDIDTESA-N 441.527 5.847 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc(O)c1 1862713565 QZMGUQCEQMJYKN-WSNNEZGNSA-N 441.527 5.702 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cccc(F)c1)c1ccc2ccccc2c1 1862715002 JSDSNUWVIYVICZ-DEOSSOPVSA-N 429.491 5.890 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C)c2C)=C(c2ccc(OC)cc2)C1=O 1863325082 BYDIAEUQEWNXNZ-UHFFFAOYSA-N 434.580 5.865 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccccc2OC)=C(c2ccc(F)cc2)C1=O 1863507698 CECKKDMAMFKKKJ-UHFFFAOYSA-N 438.543 5.065 30 10 IKEE CCCC[C@@H](NC(=O)C[C@H](c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1cccc(C#N)c1 1866728581 ZUXIWLIDODMVEV-LOSJGSFVSA-N 431.580 5.373 30 10 IKEE C=CCN(CC=C)c1cc(N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)nc(-c2ccccc2Cl)n1 1867978871 WERQLUAOKUOVOT-BCHFMIIMSA-N 437.031 6.380 30 10 IKEE C=CCn1cc(OCCOc2ccc(Cl)cc2)c(=O)cc1CNc1ccc(Cl)cc1 1870882389 DEQQYQVJKGKZBO-UHFFFAOYSA-N 445.346 5.411 30 10 IKEE C=CCn1cc(OCCCCOc2ccc(C)cc2)c(=O)cc1CNc1cccc(C)c1C 1871225751 DDMXUZHNCLNSPP-UHFFFAOYSA-N 446.591 5.810 30 10 IKEE CCCCC[C@H](CC)N1COc2c(cc3c(c2C)O/C(=C\C=C\c2ccccc2)C3=O)C1 1871353768 ZTNPBYGJRZPXNT-JCXUFFBKSA-N 431.576 6.678 30 10 IKEE CC(=O)Nc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)c1 1871365222 RYHGPJSGTQZVEX-ZISNKBHRSA-N 425.440 5.037 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)CC4CCCCC4)cc(C)c3C2=O)c(OC)c1 1871380334 JFPDXXLSPIHJSZ-QRVIBDJDSA-N 436.504 5.504 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871387456 WFNFBLQZVLBBJP-XKZIYDEJSA-N 434.875 5.883 30 10 IKEE CC(C)CCOc1ccc2c(c1)O/C(=C\c1cc(Br)cc3c1OCOC3)C2=O 1871409758 IKLSHVTTZRHVOC-UKWGHVSLSA-N 445.309 5.357 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc(OCC(=O)N[C@H](C)c3ccccc3)c2C)C1=O 1871424586 ONRWQSHHIIGIRX-OJSPLJLUSA-N 433.529 5.237 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OCC(=O)Nc3cccc(Cl)c3)cc(C)c2C1=O 1871455130 CCMWJPUXKCQSFR-ODLFYWEKSA-N 439.920 5.652 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc3n[nH]cc3c2)[nH]c(N(CC)CC)n1 1871633078 MCQDVMNLMNSNEH-UHFFFAOYSA-N 438.624 5.312 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 1872411290 NDHBVSGYNNXOEQ-NRFANRHFSA-N 434.989 5.023 30 10 IKEE CC(C)c1ccccc1O[C@@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872759945 DAWHCFXRSPPTGS-MBSDFSHPSA-N 444.600 6.456 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(CC)cc3)cs2)cc1OC 1872761569 QKHDYPJFDCTZJV-GPVYEGESSA-N 432.545 5.669 30 10 IKEE Cc1c([N+](=O)[O-])cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1[N+](=O)[O-] 1872767200 UQRUOMFBMMWJOJ-AWEZNQCLSA-N 442.840 5.078 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccccc3Cl)n2)cc1 1872768358 QFSGZKLODCIVMK-GOSISDBHSA-N 440.952 5.898 30 10 IKEE CCc1ccc(OCCCC(=O)[C@H](C#N)c2nc(C(C)C)cs2)c(Br)c1 1872774395 PSSYGVIGNWNENT-HNNXBMFYSA-N 435.387 5.627 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@H](C#N)C(=O)C(Cl)(Cl)Cl)n2)c1 1872780968 NXZGALHLRADMFW-GFCCVEGCSA-N 433.744 5.154 30 10 IKEE CCCCOC(=O)c1cccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)cc2)c1 1872869420 ADOYBBMOPWQYIG-UHFFFAOYSA-N 428.488 5.346 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2C)C(=O)N(CCc2ccc(F)cc2)C1=O 1873103788 CDUDRIFBKCAGBY-UHFFFAOYSA-N 436.571 5.407 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(Cl)cc2)=C(c2cc(F)cc(F)c2)C1=O 1873318508 UVLOAOBVPUSNIN-UHFFFAOYSA-N 446.925 6.171 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(OCCCC)cc2)cc2c(NCCCCCC)ncnc21 1873638715 HLZIFWPUMKTXAE-UHFFFAOYSA-N 449.599 6.041 30 10 IKEE CCCCCCCCNC(=O)COc1cc(C)cc2oc(=O)c(Cc3ccccc3)c(C)c12 1873892247 XNGHTENKHNDXFU-UHFFFAOYSA-N 449.591 5.856 30 10 IKEE C=CCSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1ccc(O)cc1 1874198834 VPPMFPHQTCALPA-NLRVBDNBSA-N 444.560 5.309 30 10 IKEE C=CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1cccc(C)c1 1874203380 YZUYXFQUMSUSJK-WGOQTCKBSA-N 434.609 5.932 30 10 IKEE CCCc1ccc(OCc2nnc(SCC)n2/N=C/c2c(Cl)cccc2Cl)cc1 1874257714 OZBDKAVSNGSIHG-ZMOGYAJESA-N 449.407 6.111 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1cccs1 1874296128 LRKKEKDORRBUSI-OEAKJJBVSA-N 449.561 5.322 30 10 IKEE Cc1ccccc1CCc1nnc(SCCc2ccccc2)n1/N=C/c1ccccc1F 1874361994 IDHOCRZBONZNIP-TURZUDJPSA-N 444.579 5.728 30 10 IKEE Clc1ccccc1/C=N/n1c(COc2ccccc2)nnc1SCc1ccccc1 1874384576 XATNLPCRZIEFCY-MFKUBSTISA-N 434.952 5.685 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2[C@@H](C)c2ccccc2)cc1 1874393269 IHYMZVRAHGCEBQ-XLKFHUSGSA-N 426.589 6.221 30 10 IKEE Fc1ccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccc(F)cc2F)cc1 1874406896 ZZWGBCHXIAEDPV-MZJWZYIUSA-N 444.526 5.993 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCCc2ccccc2)cc1 1874439852 WIRXWJUVFWHHKA-NHFJDJAPSA-N 449.668 5.930 30 10 IKEE FC(F)(F)c1nnc(SCc2cccc3ccccc23)n1/N=C/c1cccc(Cl)c1 1874462620 XSNMLUFZXHCPSL-RPPGKUMJSA-N 446.885 6.278 30 10 IKEE Cc1cccc(CSc2nncn2/N=C/c2ccccc2OCc2ccc(Cl)cc2)c1 1874536570 KSWYRSQOOJMPBG-MZJWZYIUSA-N 448.979 5.993 30 10 IKEE CCCCOc1ccccc1/C=N/n1c(S)nnc1CCCOc1ccccc1Cl 1874568687 LXCRVWDHXVTJMJ-LFVJCYFKSA-N 444.988 5.293 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Br)ccc2OCc2cccc(Cl)c2)cc1 1874579315 IHFDNSAJRZMLLJ-PKNBQFBNSA-N 441.752 6.886 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cc(Cl)ccc1OCCc1ccccc1 1874589188 YCPCFNWDFYLVBY-CSKARUKUSA-N 441.354 6.828 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc(Br)c1OCC 1874604384 JQBWLYKUPMMQNV-VQHVLOKHSA-N 435.314 5.160 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3ccccc3Cl)c(OC)c2)cc1 1874604628 XPHITXOVLZEWJU-SDNWHVSQSA-N 436.935 6.395 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2OC)cc(OC)c1OCc1ccc(F)cc1 1874619597 IROFFZRBVNCBOM-JLHYYAGUSA-N 446.518 6.355 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OCc1ccccc1Cl 1874625824 XYIDQLYPJBYTFQ-NTEUORMPSA-N 436.910 6.691 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OCc2ccc(F)cc2)c([N+](=O)[O-])c1 1874639185 MWPUHYAFBWOVLX-RUDMXATFSA-N 441.842 5.871 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(C)cc1 1874669005 UAQSPNFDOGUQCY-RUZDIDTESA-N 433.596 5.294 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cccc4ccccc34)c2)c1 1874694550 JEBIBDITQIKAIW-FYWRMAATSA-N 438.479 5.972 30 10 IKEE COc1ccc(CC(=O)Oc2cc(/C=C/C(=O)c3ccc(C(C)C)cc3)ccc2OC)cc1 1874708195 RIIBMBKUWTYPPG-VIZOYTHASA-N 444.527 5.871 30 10 IKEE COc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)ccc2OC)cc1 1874712318 SQLVSAWRSVLJOG-NTUHNPAUSA-N 444.527 6.053 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@H](C)c3ccccc3)c2)c(OC)c1OC 1874717521 ZYOHVSMXBBIQNX-FDPSAONLSA-N 446.499 5.318 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])c(Cl)c2)cc1 1875100278 XCZFIUZBXAUOAA-UKTHLTGXSA-N 435.863 5.926 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3sccc3C)c([N+](=O)[O-])c2)cc1 1875130144 KZGSGGSBQFBQKG-ONNFQVAWSA-N 437.473 5.479 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(OC)c1OC(=O)C1CCCC1 1875154487 HKZSUQZUFJIONS-WUKNDPDISA-N 440.539 6.569 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)c1ccc(Cl)cc1 1875157920 VGVGXSPEKNUQPG-BIIKFXOESA-N 445.273 6.256 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C23CC4CC(CC(C4)C2)C3)c(Cl)c1)c1ccc(F)cc1 1875158033 BQCADPOHJSRBMX-LREOWRDNSA-N 438.926 6.497 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2ccc(OC(=O)CC(C)C)c(Cl)c2)cc1Cl 1875174509 VDFWIIZOEFZWLI-FNORWQNLSA-N 437.319 5.858 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc4ccccc34)c(Cl)c2)cc1C 1875175564 VZCQJOXUFWIGQF-SDNWHVSQSA-N 440.926 7.225 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(OC)c3)cc2)c(OCC)c1 1875178057 QZTBRKLOONMQGJ-LFIBNONCSA-N 446.499 5.608 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N(CCC)CCCC)n2C 1875197488 NVFKAMNHWIIRSK-UHFFFAOYSA-N 429.653 6.173 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N1CCC[C@H](C)C1)n2CCCOC 1875222044 RIBYNNJIFNFFQF-FQEVSTJZSA-N 443.636 5.112 30 10 IKEE C=CCC[C@H](NCCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875664060 ZZUIYOPGSXNDHT-WNJJXGMVSA-N 445.603 6.212 30 10 IKEE C#CCCN(C(=O)[C@H](CC)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCC1 1901527905 BIZOADLUTALNCV-SANMLTNESA-N 444.575 5.098 30 10 IKEE Cc1sc(C)c([C@H](C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)c1Br 1912168198 BYFDBHJEADURSY-LBPRGKRZSA-N 428.356 5.630 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H](CNC(=O)OC(C)(C)C)C1CCCCC1 1922127401 ZJVOJZBJZAWJCP-ZEQRLZLVSA-N 430.633 5.459 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)CCC1(C)C 1950224187 AKIUQRPEVMHQOX-QHCPKHFHSA-N 449.617 5.557 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1(C)C 1953337654 YBFMOADHUPFGIU-DFBJGRDBSA-N 443.588 5.257 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C(C)(C)[C@H](NC(=O)OC(C)(C)C)C1CC1 2009342866 FLUMOFYORWZJJE-XZOQPEGZSA-N 430.633 5.457 30 10 IKEE C=CCN(C(=O)OC(C)(C)C)C1(C#N)CC2(C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)C1 2012873830 RXKPEKYPIBWNAQ-ISVJADKWSA-N 431.577 5.014 30 10 IKEE CCOc1ccc2oc(C(=O)N3C(=N[C@@H]4CCCC[C@@H]4C)SCC3(C)C)c(C)c2c1 2040469848 PQJDUCOVWJQBMP-HNAYVOBHSA-N 428.598 6.042 30 10 IKEE CC(C)(C)OC(=O)N1CCC(C[C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)CC1 2045574402 GSJCNUHUEDPTPP-FQEVSTJZSA-N 447.551 5.497 30 10 IKEE Cc1c(Cl)cc(C[C@@]2(C#N)CCCN(C(=O)OC(C)(C)C)C2)cc1Br 2048641581 ZIWIRWGJOFVAJM-LJQANCHMSA-N 427.770 5.494 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1(C)C 2053051435 OXMZVQJTIIBOSC-CJAUYULYSA-N 449.636 5.779 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)[C@H]1C(C)(C)C 2076161201 JTLFXZDIWWZNDE-CLOONOSVSA-N 449.636 5.874 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(C(=O)OC(C)(C)C)[C@H]2C(C)(C)C)cc1 2076161497 PWFQVUYVNRAMHI-UQBPGWFLSA-N 443.588 5.664 30 10 IKEE CC[C@@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)(F)F)c(N)c1Br 2079976639 AMANAIUJMYRBPT-VIFPVBQESA-N 434.153 5.404 30 10 IKEE CC(C)c1ccc([C@H](C2CCC2)n2nc(C(F)(F)F)c(C#N)c2Br)cc1 2079981050 MXQNCJYJTLISEJ-INIZCTEOSA-N 426.280 6.049 30 10 IKEE CCCOc1ccc([C@@H](C)n2nc(C(C)(C)C)c(C#N)c2I)cc1 2080073688 WBHCTOVHJNVYJD-CYBMUJFWSA-N 437.325 5.055 30 10 IKEE CCc1nn([C@H](c2ccc(SC)cc2)C2(C)CC2)c(I)c1C#N 2080101496 GWJAAEOHRCAFLN-MRXNPFEDSA-N 437.350 5.033 30 10 IKEE Cc1ccc(-c2cc(Cl)n3nc(C4CCCCC4)c(C#N)c3n2)c(Br)c1 2081163813 QSVIBZSOMRJCPT-UHFFFAOYSA-N 429.749 6.040 30 10 IKEE Fc1c(F)c(F)c(-c2c(C(F)F)nn3c(Cl)c4c(nc23)CCSC4)c(F)c1F 2081312103 AOPGTNBYIAPGEX-UHFFFAOYSA-N 441.759 5.472 30 10 IKEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN(Cc1ccccc1)CC1CCCCC1 2095821467 SVVKRYMEYGSISE-UHFFFAOYSA-N 433.445 5.877 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2sc(Br)cc2C)cc1 2100762375 HBEXMLTXRQCUMA-OAHLLOKOSA-N 437.359 5.834 30 10 IKEE C=CCCCCCC[C@@H](NN)c1ccc(I)c(Br)c1 2141920675 GCNYTPYAODCPEB-OAHLLOKOSA-N 437.163 5.085 30 10 IKEE C=CCN(CC[C@@H](Cc1ccc(Br)cc1F)NCCC)C(=O)OC(C)(C)C 2155516338 JDGRDUZFEAMWTC-SFHVURJKSA-N 443.401 5.312 30 10 IKEE CC(C)(C)OC(=O)N1Cc2ccc(CNc3ccc(Br)cc3C#N)cc2C1 2162416278 TUZFMNJCJGQFJI-UHFFFAOYSA-N 428.330 5.184 30 10 IKEE CC(C)N(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1cccc(Br)c1C#N 2174810639 OPQFSECVTDBRPQ-INIZCTEOSA-N 436.394 5.325 30 10 IKEE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@H](CNc2cc(Br)cc(C#N)c2)CC1 2178646661 USSJMDMZYYQYKU-OYOVHJISSA-N 440.357 5.156 30 10 IKEE C#C[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)CC 2210709501 GYMYNODNZARHNR-BVFVYWQFSA-N 446.591 5.104 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@H]1CC2(CCCC2)CCN1C(=O)OC(C)(C)C 2221311921 PIKKRLCZRJWDRA-DNQXCXABSA-N 442.644 5.697 30 10 IKEE CCC(C#N)(CC)NC(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2243918228 CQYRECDHXSVBFZ-XMMPIXPASA-N 447.579 5.138 30 10 IKEE CCCN[C@@H](C#CC1CCCCC1)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2260987965 GIBZEKXHOXNIIG-DQEYMECFSA-N 442.644 5.439 30 10 IKEE C=CCCC1([C@H](N)c2ccc(Cl)c(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2266318477 SGGLBBRJNRZXTA-MRXNPFEDSA-N 447.776 5.445 30 10 IKEE CN[C@@H](C#Cc1ccccc1F)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2281365844 SPRGNBZSWZHWBC-IBGZPJMESA-N 433.321 5.247 30 10 IKEE C=CCOc1c(Cl)cc(C=C2SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC 2297462052 XFGBGNKWVWVKLQ-UHFFFAOYSA-N 436.316 5.808 30 10 IKEE C=CCOc1ccc(C=C2SC(=Nc3nc(-c4ccccc4)cs3)N(C)C2=O)cc1 2314543964 PVSIIFPUAXJXCA-UHFFFAOYSA-N 433.558 5.609 30 10 IKEE Cc1ccccc1C=NN=C1SC(=Cc2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccco1 2314818821 MKCPQCFEXVEKOS-UHFFFAOYSA-N 446.488 5.003 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccccc1OCC(C)C 2318571645 PANFOQPUYSUDJZ-UHFFFAOYSA-N 443.016 6.093 30 10 IKEE COc1cc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C2CC2)ccc1O 2320867905 UGWLYRBWXWVJGU-UHFFFAOYSA-N 449.363 5.351 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CC2)c1 2320869746 GXEJNQIHZKIBAF-UHFFFAOYSA-N 442.588 6.272 30 10 IKEE COc1cc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CC2)cc(Cl)c1O 2320879199 IYQZEIQKIPMUOC-UHFFFAOYSA-N 449.363 5.351 30 10 IKEE Cc1cccc(C)c1NC(=O)CSc1nnc(C)n1N=Cc1ccc(C(C)(C)C)cc1 2321139540 ZOICWIPNAJXSOH-UHFFFAOYSA-N 435.597 5.114 30 10 IKEE CSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1N=Cc1ccccc1C 2321347253 DDTGXFRVOGSELW-UHFFFAOYSA-N 435.380 5.509 30 10 IKEE Cc1cc(OCc2cccc(F)c2)cc2c1C(=O)C(=Cc1ccccc1Br)O2 2321888466 FNPLGZJCZIBPBD-UHFFFAOYSA-N 439.280 6.092 30 10 IKEE CCc1ccc([C@@H](C)N2COc3cc(C)c4c(c3C2)OC(=Cc2cccc(F)c2)C4=O)cc1 2322260055 LEAGCSRESJSIGC-GOSISDBHSA-N 443.518 6.226 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(Cl)cc1Cl)C3=O)CN(C[C@H]1CCCO1)CO2 2322307668 GGCAKXLKGVCLLB-QGZVFWFLSA-N 446.330 5.249 30 10 IKEE O=C(C=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 2322667368 OFIVYROENFFTBH-UHFFFAOYSA-N 441.310 6.240 30 10 IKEE C[C@@H](NC(=O)COc1ccccc1C=CC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 2322681087 OMRUATOFADOEBQ-OAQYLSRUSA-N 441.571 6.136 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1OC 2323060104 LIWUIZGAUZXOFP-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OCc3cccc(Cl)c3)c2)cc1C(C)C 2323231514 IBQMUSZRYFAOOK-UHFFFAOYSA-N 434.963 7.256 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccncc1)C2=O)C(Br)=Cc1ccccc1 2323444351 KAALUDIZURAXTO-UHFFFAOYSA-N 448.272 5.039 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)cc(Cl)c1OCC(=O)OCC(C)C 2323471371 QNNLXGBRMFMUOX-UHFFFAOYSA-N 444.955 5.775 30 10 IKEE Cc1cc(OC(=O)CC2CCCCC2)cc2c1C(=O)C(=Cc1c(Cl)cccc1Cl)O2 2323486095 KKNLZEOYFYBWCF-UHFFFAOYSA-N 445.342 6.794 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(OC)c2)cc(OC)c1OCc1cc(C)ccc1C 2323503986 AJVLBNPHUNTNCL-UHFFFAOYSA-N 442.555 6.524 30 10 IKEE O=C(COc1ccc(Cl)cc1)Oc1ccc2c(c1)OC(=Cc1cccc(Cl)c1)C2=O 2323532802 UENXJUKLIWKGPU-UHFFFAOYSA-N 441.266 5.594 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3CC)cc2)cc1 2323536275 FZXFLFRGNZBEOC-UHFFFAOYSA-N 441.571 6.505 30 10 IKEE CCc1nnc(SC)n1N=Cc1ccc(OCc2ccc(C(C)(C)C)cc2)c(OC)c1 2323579540 PMEUEMDNRSRJHP-UHFFFAOYSA-N 438.597 5.330 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)CC1 2323651926 VRHNSNKJNOQBBG-UHFFFAOYSA-N 449.503 6.113 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc(Cl)c2)c([N+](=O)[O-])c1)c1cccc(Cl)c1 2323766968 YEHQNLDEDUERSY-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3C)c([N+](=O)[O-])c2)c1 2323949456 GQFYHOBCPRMQCU-UHFFFAOYSA-N 444.487 5.434 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OCCOc4ccccc4)cc(C)c3C2=O)cc1 2324220899 GHPHLALXCPDKDQ-UHFFFAOYSA-N 443.543 5.915 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3cccc(Cl)c3)c(Cl)c2)c(C)c1C 2324304875 KTSDQNANVBRTEW-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OCc1ccc(Cl)cc1 2324455715 LTZIKOUYAWIBFM-UHFFFAOYSA-N 446.974 7.169 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)c(OCCCO)c(OCC)c2)c(OCC)c1 2324494502 SNAGPMWHVOOWTE-UHFFFAOYSA-N 448.943 5.193 30 10 IKEE C=C(C)COc1ccc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc1Br 2324537075 NLWOOWYMKHYTQH-UHFFFAOYSA-N 435.745 6.271 30 10 IKEE CCCNC(=O)COc1c(Cl)cc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OC 2324545299 LYHYKOBHEZCNKI-UHFFFAOYSA-N 429.944 5.075 30 10 IKEE CCc1ccc(OCCCOc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1 2324658271 QHNMYGIXAMTDFP-UHFFFAOYSA-N 426.512 6.269 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OCC(=O)Nc3ccc(Cl)cc3)ccc2C1=O 2325513324 PFSONPQWEURKOO-UHFFFAOYSA-N 425.893 5.344 30 10 IKEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccc(Cl)cc1 2325513418 FJAMXUJYVVXKBF-UHFFFAOYSA-N 429.933 5.357 30 10 IKEE CCc1nnc(SCc2ccccc2Cl)n1N=Cc1cc(Cl)c(O)c(OC)c1 2325592886 HLGJUMXLSRALPG-UHFFFAOYSA-N 437.352 5.036 30 10 IKEE O=C(C=Cc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2325631232 MJEDLKUCNFCNOU-UHFFFAOYSA-N 433.169 5.141 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(OC(=O)C3CCC3)c(OC)cc2Br)cc1 2325705319 OMGPRSKTVJFEFA-UHFFFAOYSA-N 443.337 5.622 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1OC(=O)c1ccccc1 2325736755 WQWCQTFBHQLAEY-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OC(=O)COc1ccc(C)cc1C 2325759734 ZJLODZHWKKGQFX-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE COc1cccc(CCC(=O)Oc2cccc(C=CC(=O)c3cc(C)c(OC)cc3C)c2)c1 2325771347 VSZHVUWOCDIPIV-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE O=C(Oc1cccc(C=CC(=O)c2cc(Cl)ccc2Cl)c1)c1cccc([N+](=O)[O-])c1 2325774406 FMHCSHXMDARRAW-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE CCCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccccc1OC 2326020209 ISSOBBZNGVRKRX-UHFFFAOYSA-N 444.988 5.336 30 10 IKEE CCCc1nnc(SCc2ccccc2)n1N=Cc1cc(Cl)c(OC)c(OCC)c1 2326220704 ZBKNRIZBZLFCIX-UHFFFAOYSA-N 444.988 5.466 30 10 IKEE N#Cc1ccc(NC(=O)c2cccc(NC(=O)C=Cc3ccc(Br)cc3)c2)cc1 2327785504 LSZFDCDKXXEMAJ-UHFFFAOYSA-N 446.304 5.225 30 10 IKEE CCCOc1ccc(C=Nn2c(CCc3ccc(C)c(C)c3)nnc2SCCC)cc1 2328965493 ITPRSTIFIMWYMQ-UHFFFAOYSA-N 436.625 5.853 30 10 IKEE Clc1ccccc1CSc1nnc(CCc2cccs2)n1N=Cc1ccccn1 2329667518 DJCUXGGFJPZIJX-UHFFFAOYSA-N 439.997 5.348 30 10 IKEE Cc1ccccc1CSc1nnc(COc2ccccc2)n1N=Cc1ccc(Cl)cc1 2329883381 BMGHDCYVMVQIAM-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE C=CCNC(=O)Oc1cccc2c(NC(=O)C=Cc3ccc(OCCC)cc3)cccc12 2329917986 FMVAKDXLTSIQRG-UHFFFAOYSA-N 430.504 5.555 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2)n1N=Cc1ccc(O)c(O)c1 2330108714 KWZXQNYGNMAIRT-QGZVFWFLSA-N 430.533 5.016 30 10 IKEE O=C(CSc1nnc(CC2CCCCC2)n1N=Cc1ccccc1)Nc1ccccc1 2330225935 KVYJACPQWXHJAU-UHFFFAOYSA-N 433.581 5.014 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(-c2cccs2)n1N=Cc1ccncc1 2330590669 PPCICTZPXQOAIL-UHFFFAOYSA-N 446.388 5.883 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)C3CCCC3)c(Br)c2)cc1 2330747985 DOTYPERSYIIGOC-UHFFFAOYSA-N 427.338 6.003 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Br)c(OC(=O)CC(C)C)c(OC)c2)cc1 2330761670 RHDAPAPXFVFCPJ-UHFFFAOYSA-N 445.353 5.868 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(CC)cc2)cc(OC)c1OC(=O)c1ccccc1 2330767775 GRNXGOHAXPGPIP-UHFFFAOYSA-N 426.512 6.101 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1Cl)c1ccccn1 2330807611 MWUXCEJFSBWGRM-UHFFFAOYSA-N 432.690 6.157 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cnccn3)c(OCC)c2)cc1 2330844774 PFDRFZSWUJZLES-UHFFFAOYSA-N 430.504 5.333 30 10 IKEE Cc1cccc(CSc2nnc([C@H]3CCCO3)n2N=Cc2ccccc2OC(C)C)c1 2330951436 KZZIIIAHFMFECK-JOCHJYFZSA-N 436.581 5.400 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)cc2)cc(OC)c1OC(=O)c1sccc1C 2330982035 CMYIYYYDUQYMEL-UHFFFAOYSA-N 448.540 5.918 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CCCC2)cc1 2331092895 RNIIQMLJKKMYHA-UHFFFAOYSA-N 426.973 5.772 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(F)c(F)c1 2331157889 ABJYDNFMPALNPF-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(F)cc1F 2331158076 LEVSPUSGLVLXPG-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1Cl 2331320026 CIALGQNOWJACAP-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Br)cc3)cc2)ccc1F 2331333059 SEQYLRRXPQHZPC-UHFFFAOYSA-N 439.280 6.012 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cc(OC)ccc3OC)cc2)cc1 2331378609 HOECCFKNIKFZLS-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1Cl 2331439681 BFBVKCLDCGTLSI-UHFFFAOYSA-N 442.939 6.621 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc3ccccc23)cc(OC)c1OC(=O)[C@H]1CCCO1 2331484172 RSQZIBZOXZJLSZ-RUZDIDTESA-N 442.511 5.557 30 10 IKEE O=[N+]([O-])c1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CCC2)cc1 2331526102 WGXSKIUJPXZIMJ-UHFFFAOYSA-N 427.917 5.282 30 10 IKEE Oc1ccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CCC2)cc1 2331541753 NOXUKEUCMOJUHI-UHFFFAOYSA-N 433.364 5.733 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)c1cnc(C)cn1 2331703728 WQPGQWHMIUKDKV-UHFFFAOYSA-N 436.895 5.179 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1ccc(Cl)cc1 2331779591 BMFNOGXOOMLKHD-UHFFFAOYSA-N 448.946 6.779 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2OC)ccc1OC(=O)CC(C)(C)C 2331879043 YFEYLNBBBQCAJS-UHFFFAOYSA-N 430.928 5.985 30 10 IKEE C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339596673 RNOAPMCPMCZSMY-QGZVFWFLSA-N 446.397 5.044 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](N)c1c(C)c(C)c(Br)c(C)c1C 2345964603 WOGXIDGLHRORGW-QFBILLFUSA-N 425.411 5.542 30 10 IKEE CC[C@H](Nc1ccccc1OCc1ccccc1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363844076 NIVHAFFOXSVBTI-DEOSSOPVSA-N 443.396 6.128 30 10 IKEE CC(C)COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccn2)cc1 20883126 VYXDUGHIDHLRFJ-NGOKVRLYSA-N 439.559 6.096 30 10 IKEE Cc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccc(C(C)(C)C)cc1)C2 21258021 RZGIGPNXAXZKKS-LGGPFLRQSA-N 436.599 7.272 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1cc(-c3ccc(Cl)cc3)nn1[C@H]2c1ccc(Cl)cc1 21658643 MLWIDVCSXXXLDW-QHCPKHFHSA-N 438.358 6.515 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NCc1ccco1)[C@@H]2c1ccco1 21722218 UVXGBJSEOUUXHN-HSZRJFAPSA-N 431.492 5.399 30 10 IKEE CC(C)n1cc(/C(O)=N/c2nc3ccc(Cl)cc3s2)c(=O)c2cc(Cl)ccc21 32607876 GRNHHGBRXGKRSE-UHFFFAOYSA-N 432.332 6.135 30 10 IKEE COc1ccccc1/C=C\C(O)=N\c1nc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 33918858 UXGVEARIAMQGQW-MSUUIHNZSA-N 447.498 5.768 30 10 IKEE C=C(C)C(=O)NCCc1nc2ccccc2n1CCCCOc1ccc(C(C)(C)C)cc1 35144697 BVSALKWWPNGADT-UHFFFAOYSA-N 433.596 5.428 30 10 IKEE C=CCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2[C@@H]1c1cccc(OCCCCC)c1 38593657 UWQZOEWVOMSYAN-DEOSSOPVSA-N 431.532 5.710 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(OCCC)cc1 40085417 OIOOJQPQKKYIRG-HSZRJFAPSA-N 437.536 5.171 30 10 IKEE CCCCCn1c(O)c(C(=O)c2sc3cc(Cl)ccc3c2Cl)c(C)c(C#N)c1=O 40522430 HZOQRJSSPLKLGM-UHFFFAOYSA-N 449.359 5.677 30 10 IKEE CCc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(Sc4nc5ccccc5[nH]4)o3)S2)cc1 50664440 YNCSCLNDOVUXRG-CPNJWEJPSA-N 446.557 5.761 30 10 IKEE COc1ccccc1CN1Cc2cc3c(C)ccc(C)c3nc2S/C1=N\C[C@@H]1CCCO1 101500644 YAFRQDZKKMPZOU-UMQBKLLPSA-N 447.604 5.503 30 10 IKEE CCCCCCCCCCCCCCCC[PH](CCCC)(CCCC)CCCC 150555994 JSCPSRQATRVLGB-UHFFFAOYSA-N 428.770 10.618 30 10 IKEE C=CCn1c(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)c(C)c2cc(C(C)C)ccc21 169874220 YYYDTXHZPSIPEQ-HNNXBMFYSA-N 449.620 5.797 30 10 IKEE CCN1C(=S)N[C@@H](c2cccc(OCc3ccccc3)c2)C(C(=O)c2ccccc2)=C1C 169931931 KTCAIEIMEYXYID-VWLOTQADSA-N 442.584 5.674 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(OC(C)C)cc2)cc1C 169979430 BFWKYKKWJBHISZ-DEOSSOPVSA-N 449.547 5.312 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2cccs2)cc1 169988289 HBXGOFACMVKLIR-HXUWFJFHSA-N 441.455 5.208 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(Cl)cc1 170059607 YIHZQZHRXIXDEA-OAQYLSRUSA-N 425.912 5.260 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@H]2c2ccc(C)o2)c1 170099627 HOZQSLNIAYKWAR-HSZRJFAPSA-N 447.487 5.087 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@@H]1c1ccccc1OC 170125723 JGAPLCYXRDIHKM-NRFANRHFSA-N 443.927 5.126 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(O)cc2)cc1 170130349 HSIJAHSMZDDHQU-QFIPXVFZSA-N 449.528 5.021 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2ccccc2)c1 170141672 YBQXJZDJFQHQOP-OAQYLSRUSA-N 448.316 5.540 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cc4cc(Cl)ccc4o3)=C(O)C(=O)N2Cc2ccco2)c1 170144058 CRBSZWIFVNTRKC-JOCHJYFZSA-N 447.874 5.766 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@@H]1c1ccc(C(C)(C)C)cc1 170149915 OKINTASWOYRMJL-DEOSSOPVSA-N 447.575 5.688 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@@H]1c1cccs1 170164878 GBIOPEWQZIBQTE-FQEVSTJZSA-N 427.566 5.433 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccn2)c1 170170430 KLYVIXWCQZGSGE-QFIPXVFZSA-N 448.906 5.225 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2cccnc2)c1 170188402 IHDBWZJIFYOUEW-JOCHJYFZSA-N 448.906 5.307 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2cccnc2)cc1 170190418 JYJYDEZYIUNCKG-XMMPIXPASA-N 442.515 5.270 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccncc1)c1ccc2ccccc2c1 170198301 BQKGIZLHZGCZIQ-JOCHJYFZSA-N 426.497 5.075 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(OCC)cc1 170214340 UUBNLQKKQAGOAZ-OAQYLSRUSA-N 427.928 5.507 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccccc2)c1 170228020 DWHCYUDVFINMNY-VWLOTQADSA-N 441.527 5.875 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccc2)cc1C 170228892 LPZLIXRBUKMCIL-DEOSSOPVSA-N 427.500 5.485 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccc2F)c1 170247768 GJJMHEPVVJFTCQ-QHCPKHFHSA-N 449.453 5.537 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2F)ccc1Cl 170253424 NAEOKDDJAGIGAY-FQEVSTJZSA-N 429.875 5.009 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc(OCC(C)C)c3)=C(O)C(=O)N2c2ccccc2O)o1 170300964 WOTRONDTMSLVTQ-HSZRJFAPSA-N 447.487 5.111 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccc(C)o2)cc1OC 170304781 FUZWRNJQGFZWAD-HSZRJFAPSA-N 447.487 5.005 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(C)o1 170306924 KTINLAMVSJACAH-JOCHJYFZSA-N 449.503 5.266 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1c1ccc(C)c(Cl)c1 170335616 RBSGHEJUCBAYFH-FQEVSTJZSA-N 439.920 5.501 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(F)c(F)c2)cc1 170360830 DIUVQMWCYLSLOX-FQEVSTJZSA-N 441.455 5.208 30 10 IKEE CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]3c3ccc(O)cc3)sc2c1 170451439 QWCSTAWSCDEFLZ-LJQANCHMSA-N 436.533 5.080 30 10 IKEE Cc1ccc(N=Cc2cc(Br)cc(I)c2O)cc1C 254842045 ZIHYHGNKBOMRCV-UHFFFAOYSA-N 430.083 5.127 30 10 IKEE Cc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(OCC(C)C)cc2)cc1 526492331 XMCLCIOIAGDODC-SANMLTNESA-N 438.527 5.959 30 10 IKEE Cc1cccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2cc(C)cc(C)c2)c1 526810788 MBJIYPWPFVYTHU-PKAZHMFMSA-N 426.589 5.969 30 10 IKEE CCCCOc1ccc(/C=N\n2cnnc2SCc2ccc(Br)cc2)cc1 526819697 KNCFRSZDNMXTGT-QRVIBDJDSA-N 445.386 5.394 30 10 IKEE CCCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1/N=C\c1ccccc1Cl 526831347 OGARBHKDBGVNBL-FMCGGJTJSA-N 446.960 5.217 30 10 IKEE CC(C)(C)c1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2F)cc1 586251366 LVLKUNHDQBYQAU-UHFFFAOYSA-N 440.515 5.529 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)CC1(C)C 698828443 ABEKVOZRTKDFJW-DEOSSOPVSA-N 447.551 5.639 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2cccc(Br)c2Cl)cc1 706526008 JZRSENXRMVNUCT-QGZVFWFLSA-N 435.749 6.417 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 724031099 WIYMJKFXNMADAP-KOSHJBKYSA-N 429.561 5.466 30 10 IKEE C#Cc1cccc(NC(=S)/C(=C(/O)c2cccc(OC)c2)[n+]2ccc(CCC)cc2)c1 726572858 PZDOANYQZOLSAN-UHFFFAOYSA-O 429.565 5.240 30 10 IKEE CCCCCCN(CCCCCC)CN1C(=O)C(=Nc2cccc(F)c2)c2ccccc21 1084273987 FFYXCXLPJMPJBZ-UHFFFAOYSA-N 437.603 6.713 30 10 IKEE COc1cc(C=NOC(=O)c2cccc(Cl)c2)ccc1OCc1c(F)cccc1Cl 1084599405 ZWQLZLDUHNTLKR-UHFFFAOYSA-N 448.277 5.911 30 10 IKEE CCCN(CCC)CN1C(=O)C(=Nc2ccc(Cc3ccncc3)cc2)c2ccccc21 1084633150 NILKLXGBSKTVSA-UHFFFAOYSA-N 426.564 5.219 30 10 IKEE CCCCCCCCCCCC[n+]1ccn(CCSc2c(C)c(C)cc(C)c2C)c1 1616046155 BIHLUWHHCWYJJY-UHFFFAOYSA-N 429.738 7.722 30 10 IKEE O=C(O)c1cccc(N=C2S/C(=C\c3ccc(Cl)cc3)C(=O)N2C2CCCCC2)c1 1772733437 ALXCURHREGDIEP-QUXILYDTSA-N 440.952 5.975 30 10 IKEE Cc1cccc(C(C)C)c1NC(=O)COc1cccnc1NC(=O)Nc1ccccc1C#N 1858836207 LOYJFNJVHPKLKM-UHFFFAOYSA-N 443.507 5.047 30 10 IKEE O=C(/C=C/c1ccc(Br)cc1F)C(=O)NC(c1ccccc1)c1ccccc1 1860736302 HTEKFHWVRPZNQB-WYMLVPIESA-N 438.296 5.076 30 10 IKEE N#Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3c(Cl)ccc(Cl)c3Cl)C2)cc1 1860913050 ZPGONTBMUPDCRN-CYBMUJFWSA-N 436.726 5.009 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(C)cc2)cc1 1862390198 XUJJPOUGRVZMAS-RUZDIDTESA-N 440.543 5.511 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 1862392900 IQSKYMWOFVPCHF-JOCHJYFZSA-N 436.508 5.316 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862393311 SEIVGEPCYMAPCM-QFIPXVFZSA-N 436.508 5.316 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc(O)c1 1862431104 ZQQRYUDYDXYWDB-MMACOIQUSA-N 425.912 5.203 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1Cc1ccc(F)cc1 1862443649 SDKAXMWMZBUPGC-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@H]1c1ccccc1)c1c(F)cc(F)cc1F 1862456513 TUAPIXVKOBQKMZ-QFIPXVFZSA-N 443.465 5.795 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)c1 1862491788 BUAZNQMVHVQJDQ-HSZRJFAPSA-N 448.519 5.513 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(F)cc2)ccc1F 1862502083 QUOZXUCNQXCDRP-QHCPKHFHSA-N 433.454 5.094 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1cccc(C)c1 1862523548 JZGPNANUASZKBM-IBGZPJMESA-N 428.326 5.136 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1cccc(Cl)c1 1862527395 WSGYCTOUYMXFKI-SFHVURJKSA-N 448.744 5.337 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(C(=O)O)cc1 1862533609 MEHSIVWNGNBZEN-QFIPXVFZSA-N 435.520 5.106 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccccc2Cl)cc1 1862535475 CWAVHXRFLRSPDE-MZNJEOGPSA-N 445.946 6.242 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1cc(Cl)cc(Cl)c1 1862598247 PNLYLWXERRQWQV-LJQANCHMSA-N 434.319 5.468 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2C(C)C)cc1 1862726877 QSAYSZQLXXRJOI-SANMLTNESA-N 439.555 6.464 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)=C(O)C(=O)N1[C@H]1CCCC[C@H]1C 1862736611 KRHPYSFZMPHEPZ-QGCDCVKKSA-N 434.492 5.060 30 10 IKEE Cc1ccc(NC2=C(c3c[nH]c4ccccc34)C(=O)N(c3cccc(C#N)c3)C2=O)c(C)c1 1863131198 ARJMDSRFRUWSRC-UHFFFAOYSA-N 432.483 5.053 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccccc2OC)C1=O 1863430543 IERMUCMJTZTPJA-FQEVSTJZSA-N 431.536 5.118 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H](C)CC)=C(c2ccc(Br)cc2)C1=O 1863558980 FJOIAOOBNOJEEZ-INIZCTEOSA-N 435.406 5.278 30 10 IKEE CCCCCCCCNC1=C(c2cc(C)ccc2C)C(=O)N(CCc2ccccc2)C1=O 1863733607 HBKPMTBXLBCYCG-UHFFFAOYSA-N 432.608 5.576 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2Cl)C(=O)N(CCOC(C)C)C1=O 1863774979 MNZMRZJZJISSAE-UHFFFAOYSA-N 449.035 5.575 30 10 IKEE CCCC[C@H](NC(=O)C[C@@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866747664 YFEBLOFFONYLCT-FTJBHMTQSA-N 447.623 6.125 30 10 IKEE C=CCN(CC=C)c1cc(N(Cc2ccccc2)C(C)C)nc(-c2ccc(Cl)cc2)n1 1867981639 QNPAAPYLCRIVGF-UHFFFAOYSA-N 432.999 6.390 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)CCCCCCCC)n(-c2cccc(Cl)c2)n1 1870002591 QIUMKKVEMIEUKE-UHFFFAOYSA-N 429.996 5.788 30 10 IKEE N#Cc1nnn(-c2cc(Cl)cc(Cl)c2)c1NC(=O)c1ccc(Cl)c(Cl)c1 1870137597 SBYZDMLGCAUQEH-UHFFFAOYSA-N 427.078 5.005 30 10 IKEE C=CCOc1cn(CCCCCC)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870244711 DZLMTPBCNHVVGW-UHFFFAOYSA-N 425.598 5.478 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCOc2ccc(C)cc2)cn1CCCCCC 1870778456 YYFFGEPGYWRTMZ-UHFFFAOYSA-N 438.612 5.369 30 10 IKEE C=CCOc1cn(CCCN(CC)CC)c(CNc2cccc(C(C)(C)C)c2)cc1=O 1870811415 YRWAAAHAHWESSQ-UHFFFAOYSA-N 425.617 5.055 30 10 IKEE C=CCn1cc(OCc2cccc3ccccc23)c(=O)cc1CNc1cccc(Cl)c1C 1870918311 CVYQDKUBXNYLIF-UHFFFAOYSA-N 444.962 6.340 30 10 IKEE COc1ccc(CCN2COc3cc(C)c4c(c3C2)O/C(=C\c2ccc(F)cc2)C4=O)cc1 1871344361 FLPNUJFMQNCQNL-OYKKKHCWSA-N 445.490 5.154 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1cccc(F)c1)O3)CN(CCc1ccc(F)cc1)CO2 1871344544 LAYIQVQBBBPQJW-QRVIBDJDSA-N 433.454 5.284 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(CC)cc2)C3=O)cc1 1871366504 IRYNLUZPQCFDTD-MYYYXRDXSA-N 444.483 5.248 30 10 IKEE Cc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1[N+](=O)[O-] 1871376214 ZGPNCGHUAVJVBO-DDIODMMUSA-N 441.439 5.603 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc(C)c3C2=O)cc1 1871377340 GLDMTIHCWONKIH-PCAIFWSDSA-N 441.439 5.447 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc(OCC(C)C)cc3)cc(C)c2C1=O 1871382753 CXGOFCHPGOJWGO-QFEZKATASA-N 442.511 6.174 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)c1 1871387446 VVEWSXQRSNTBLL-QFEZKATASA-N 428.484 6.044 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2Cl)C3=O)c1 1871387860 OTVSDHDEYHQGDF-HAHDFKILSA-N 448.902 6.273 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871389056 HVHJSEWGAQJOKS-MTJSOVHGSA-N 432.428 5.047 30 10 IKEE Cc1cc(O)c(CN(Cc2ccccc2)C(C)C)c2c1C(=O)/C(=C/c1ccccc1Cl)O2 1871394030 ZHQLSXURZARUII-OYKKKHCWSA-N 447.962 6.381 30 10 IKEE Cc1cc(OCCOc2ccccc2)cc2c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O2 1871397542 XMLHARWHCQDITP-UQQQWYQISA-N 428.528 6.367 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871406958 KNSNLZVUSDTAIT-GEWRUKCFSA-N 433.891 5.671 30 10 IKEE Cc1cccc(OCCCOc2ccc3c(c2C)O/C(=C\c2ccc(Cl)cc2)C3=O)c1 1871407153 YJMHXEWOZFLEHM-JLPGSUDCSA-N 434.919 6.421 30 10 IKEE CCCCCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O 1871427288 WVVKZRSUTJQYOJ-JMIUGGIZSA-N 449.330 6.030 30 10 IKEE Cc1cc(OCC(=O)NC2CCCCC2)cc2c1C(=O)/C(=C/c1ccc(Cl)cc1)O2 1871438220 QWZPVVAVDPIBQZ-MTJSOVHGSA-N 425.912 5.092 30 10 IKEE Cc1c(OCC(=O)Nc2cccc3ccccc23)ccc2c1O/C(=C\c1cccs1)C2=O 1871452293 DBDXDLDXGUXTQQ-UCQKPKSFSA-N 441.508 5.843 30 10 IKEE CCCCCCCCCCN=c1nc(N2CCCC2)[nH]c(=Nc2ccc(F)c(Cl)c2)[nH]1 1871653219 SOMNUOOVRDXVJH-UHFFFAOYSA-N 449.018 5.404 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(F)cc1)[C@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1871874099 NMNWCRYTMCBPGO-WZONZLPQSA-N 446.588 5.063 30 10 IKEE N#Cc1cccc(N2CC(=O)C(c3nc(-c4ccccc4)c(-c4ccccc4)s3)=C2N)c1 1872726318 PWXLROASJQVRBU-UHFFFAOYSA-N 434.524 5.065 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc2[nH]c(-c3ccc(OCCCC)cc3)nc2c1 1872739639 XFGKYEMOJGTOQG-UHFFFAOYSA-N 449.639 7.279 30 10 IKEE CCOc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1 1872777914 ZEIHGTAWSQQXSU-OAQYLSRUSA-N 448.588 5.934 30 10 IKEE CC(C)COc1cccc(C(=O)[C@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)c1 1872787173 CTMAOQYGRNNDPD-SFHVURJKSA-N 445.371 6.642 30 10 IKEE COc1ccc(CCNC(=O)c2cccc(CSc3nc(C)c(C)c(C)c3C#N)c2)cc1 1872893217 MXPPUWFUSKOHQV-UHFFFAOYSA-N 445.588 5.152 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)cc2C)cc2c(NCc3ccccc3F)ncnc21 1873637004 JFKQTGJKNAPPMS-UHFFFAOYSA-N 449.917 5.583 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccccc1C(C)C)n2CCCOC 1873656733 JPPOKVWCUKBVDO-UHFFFAOYSA-N 447.583 5.022 30 10 IKEE C=CCn1c(C(=O)Nc2ccccc2)cc2c(N(CCCC)CCCCCC)ncnc21 1873673371 VIOYQQYPNXWSBU-UHFFFAOYSA-N 433.600 6.056 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CCCOc2c(C)cccc2C)nnc1SC 1874224910 JLLDUXLBOPAXDF-KOEQRZSOSA-N 436.581 5.075 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3F)n2/N=C/c2cccc(C)c2)cc1 1874349598 UPNWFSDYSIAMIM-JVWAILMASA-N 446.551 5.500 30 10 IKEE CCSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1ccc(Br)cc1 1874357209 VWYSOVAALLINQW-LPYMAVHISA-N 429.387 5.242 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3Cl)n2/N=C/c2ccncc2)cc1C 1874358392 FFQCTVPNNUSHDI-JFLMPSFJSA-N 447.995 5.709 30 10 IKEE Cc1ccc(C)c(CSc2nnc(COc3ccccc3)n2/N=C/c2cccc(F)c2)c1 1874384524 UHPQRJYXXRNEBX-JFLMPSFJSA-N 446.551 5.788 30 10 IKEE Cc1cccc(CSc2nnc([C@H](C)c3ccccc3)n2/N=C/c2ccc(F)cc2F)c1 1874394880 YAHPWJCWOLYJFL-OVNWTWFZSA-N 448.542 6.191 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3ccccc3F)nnc2[C@H]2CCCO2)c1 1874446463 ZYZXXDILJJFVLJ-JAMLUQCHSA-N 440.544 5.232 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2ccc(Cl)c(Cl)c2)nnc1C(F)(F)F 1874463017 PMCDKCURQVROMD-PGGKNCGUSA-N 445.297 6.087 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccco3)n2/N=C/c2ccc(C(C)C)cc2)c1 1874466998 NIHINTYQNVGVTN-CVKSISIWSA-N 430.577 6.453 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1ccccc1Cl 1874475160 MDZZORUZKLAFFM-ZMOGYAJESA-N 445.951 5.026 30 10 IKEE C=CCSc1nnc(C(C)(C)C)n1/N=C/c1ccc(N(CC)Cc2ccccc2)cc1 1874484642 GIQZDFMEVAIQGJ-NLRVBDNBSA-N 433.625 5.762 30 10 IKEE CC(C)Cc1nnc(SCc2cccc3ccccc23)n1/N=C/c1c[nH]c2ccccc12 1874491060 XJUURMXTDCMVRG-LQKURTRISA-N 439.588 6.286 30 10 IKEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3cccc(C)c3)nnc2C2CCC2)cc1 1874493809 FTJHFCGZRZEBQR-MFKUBSTISA-N 433.581 5.029 30 10 IKEE Cc1ccccc1CSc1nnc(C(C)C)n1/N=C/c1ccc(Br)cc1 1874509914 BOJOXGUVYDYOJH-WSDLNYQXSA-N 429.387 5.647 30 10 IKEE O=[N+]([O-])c1cc(/C=N/n2c(SCc3ccccc3F)nnc2C2CC2)ccc1Cl 1874519950 TZDBLGPNMGLSEM-LSHDLFTRSA-N 431.880 5.031 30 10 IKEE CCOc1ccc(/C=N/n2c(S)nnc2CCCOc2ccc(C(C)(C)C)cc2)cc1 1874570821 KRPWNDVOJNQARF-KOEQRZSOSA-N 438.597 5.157 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccccc2Cl)c1OCC(=O)Nc1ccccc1C 1874575039 RUBNHINWUIBORA-CCEZHUSRSA-N 435.907 5.571 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(Cl)cc(OC)c1OCc1cccc(C)c1 1874581286 FYSNUEAKVMQYLL-MDZDMXLPSA-N 436.935 6.449 30 10 IKEE C=C(C)COc1c(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc(Br)cc1OC 1874582073 URHZJOXVEHQWMT-GQCTYLIASA-N 445.309 5.080 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccccc2OCc2nc(O)c3ccccc3n2)c1C 1874587203 ZZSZCBHSZCJWQI-BUHFOSPRSA-N 438.527 6.044 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)OCC(C)C)c(Cl)c2)cc1 1874606384 KVKBFHMSWAKTHZ-UKTHLTGXSA-N 428.956 6.157 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Br)cc2)ccc1OCc1ccc(C)cc1 1874609065 WAWOEMCZCRMWIY-NTUHNPAUSA-N 437.333 6.241 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1cccc(F)c1 1874610337 NDFFTADUWHNUNH-MDWZMJQESA-N 447.462 5.946 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2F)c(Br)c1)c1cccc(Cl)c1 1874612063 ALJZXGFFQZTKAQ-CSKARUKUSA-N 445.715 6.717 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OCC(=O)NCc1ccccc1 1874613531 ZHYCOPXVBJXAPX-ACCUITESSA-N 449.934 5.330 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2[N+](=O)[O-])c1 1874618226 PWQUDFZYPRJMQU-PKNBQFBNSA-N 444.487 5.434 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1Cl 1874622555 JEFNIABBZPNJBE-MHWRWJLKSA-N 448.990 7.511 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OCCc3ccccc3)c(OC)c2)c(OC)c1 1874632752 SMUORLZVMOHBSL-JLHYYAGUSA-N 448.515 5.239 30 10 IKEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1Cl 1874637503 CSOZXSUFSJTWSE-XVNBXDOJSA-N 426.727 5.448 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cccc4ccccc34)c2)cc1 1874701762 JBJKSLMDCTVJLV-QGOAFFKASA-N 436.507 6.744 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 1874713542 BVSOZDCKBARIHC-IZZDOVSWSA-N 445.471 5.644 30 10 IKEE C=CCN(CC=C)CCC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)c1 1874723438 DWNHZLAOFHWUOC-OAQYLSRUSA-N 434.580 5.463 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(OC)cc2)CSc2nnc(C3CC3)n21 1874842629 CUFPPUMYEUMIKT-FQEVSTJZSA-N 428.602 5.226 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC(=O)Cc1ccccc1Cl 1875121891 ATMLSHLHTHWPPF-UXBLZVDNSA-N 442.845 5.671 30 10 IKEE CCCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccc(OCC)cc2)cc1OC 1875130703 OHFZOJPXHAMARD-KPKJPENVSA-N 447.325 5.458 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)Cc1cccs1 1875131918 VKQDBILXZOZTBH-CSKARUKUSA-N 436.529 5.426 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)c1cncc(C)c1 1875140471 IJNNTCQFBQDSKX-CMDGGOBGSA-N 449.934 6.174 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)cc3)c(Cl)c2)cc1 1875155336 CXZSTNMLRRMIJJ-WLRTZDKTSA-N 436.910 6.647 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cc(OC)c(OC(=O)C(C)C)c(OC)c2)cc1C(C)C 1875162786 LIQGWDBRMAJUOX-MDZDMXLPSA-N 440.536 5.602 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)[C@H](C)c1ccccc1 1875167577 DTJUPVVZLRODAP-RDPWEWGOSA-N 444.527 5.926 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)c1ccc(C)cc1 1875175388 MSLCWYMBCVWNPC-UKTHLTGXSA-N 430.500 5.744 30 10 IKEE CCCCCCC[C@H](N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875669447 PCJPPEUKDIOHLE-WNJJXGMVSA-N 447.619 6.566 30 10 IKEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N[C@H](C)Cc3csc4ccccc34)n[nH]2)c1C 1890851749 XXFPZCNKEKACJZ-OAHLLOKOSA-N 433.581 5.042 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1C[C@@H]2C[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 1911152643 OZWUBIGDOAORIF-KNOCVWDGSA-N 428.617 5.067 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@@H](C#N)c1cc(Cl)cc(Br)c1 1912203572 FCWICHKWGOAHNS-AWEZNQCLSA-N 428.718 5.605 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C)NCCC 1922104833 UKKSMHCERAOUGL-KMDXXIMOSA-N 430.633 5.601 30 10 IKEE C=C([C@H](NCCC)[C@@H](O)c1scc(Br)c1Br)[Si](C)(C)C 1922918659 PUKCJGLUWPCCOH-QWHCGFSZSA-N 441.305 5.108 30 10 IKEE C=CCC1([C@@H](NCC)c2scc(Br)c2C)CN(C(=O)OC(C)(C)C)C1 1923039067 QAVKPXHVRFAUNI-INIZCTEOSA-N 429.424 5.283 30 10 IKEE C=CCN(C(=O)OC(C)(C)C)[C@@]1(C#N)[C@H](CNC(=O)OC(C)(C)C)CCCC12CCC2 1924817917 LYJWZUTZOWKFEX-UUOWRZLLSA-N 433.593 5.167 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1[C@H](C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1937960092 KJXCFZAEVZMPLU-BPQIPLTHSA-N 435.590 5.023 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)CC12CC2 1949372598 JIYHTGHVXWRXSF-DEOSSOPVSA-N 433.593 5.382 30 10 IKEE C#CCCN(C(=O)[C@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCC1 1984726062 VHCNEMADOVDGBK-FQEVSTJZSA-N 444.575 5.098 30 10 IKEE C[C@@H]1CC[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)[C@H](OCc2ccccc2)C1 1998820958 CGBBFNVWRJTFQJ-XQFWAAQXSA-N 427.549 5.592 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c3ccc(F)cc3)[C@H]2C1 2032047166 ZBZNOPKAXZSABW-UXSWERMXSA-N 445.535 5.106 30 10 IKEE C=C(C)C[C@@H](NCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071352242 ZEXXFBPMOLTREB-NAKRPHOHSA-N 431.576 5.822 30 10 IKEE CCCOc1ccc([C@@H](C(C)C)n2nc(C3CC3)c(C#N)c2I)cc1 2080064148 OTEPCPWHGNZJEV-LJQANCHMSA-N 449.336 5.271 30 10 IKEE CC(C)c1nn2c(Cl)c(C#N)cnc2c1-c1cc(Br)cc(C(F)(F)F)n1 2081161826 LZKCYMXGUNZEOD-UHFFFAOYSA-N 444.642 5.221 30 10 IKEE Cc1cc(NC(=O)c2cscc2OCc2ccccc2)cc(B2OC(C)(C)C(C)(C)O2)c1 2100091025 FZKXYGGODGCUQP-UHFFFAOYSA-N 449.381 5.187 30 10 IKEE CC(C)(C)OC(=O)N1[C@@H](CNc2cc(Br)c(C#N)cc2F)CCC1(C)C 2131947240 LPHNFNYOGOIXHB-CYBMUJFWSA-N 426.330 5.050 30 10 IKEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)cc1Cl 2222751095 IDIQKOXVGLYXOS-SJORKVTESA-N 429.786 5.060 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H](C(C)(C)C(=O)C#Cc2ccccc2Br)C1 2235735123 YYCUFNDHGOFWNG-KRWDZBQOSA-N 434.374 5.043 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)c1cc(CNC(=O)OC(C)(C)C)cs1 2235745689 DWHHGGVSFAMQDR-SFHVURJKSA-N 449.414 5.238 30 10 IKEE C=C1CCC(C[C@H](O)[C@H](Cc2ccc(Br)cc2)NC(=O)OC(C)(C)C)CC1 2237386753 MIEFVLOVFXDQMS-PMACEKPBSA-N 438.406 5.382 30 10 IKEE CCN1C(=C2SC(=NCc3ccccc3)N(C3CCCCC3)C2=O)Sc2ccccc21 2295201935 SFHIQUHDLCUJFF-UHFFFAOYSA-N 449.645 6.252 30 10 IKEE CCCCOc1ccc(C(=O)C(=Cc2ccc(C(C)C)cc2)c2nc3ccccc3o2)cc1 2296696738 YBODEBHEIYPRLC-UHFFFAOYSA-N 439.555 7.554 30 10 IKEE CC(=O)c1ccc(N2C(=O)C(=O)C(=C(O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 2296767294 MCFRKMOPESMPQG-JOCHJYFZSA-N 431.875 5.169 30 10 IKEE C=CCN1C(=O)C(=C2Sc3ccccc3N2CC)SC1=Nc1ccc(OCC)cc1 2297604753 HGYGCBBSDLDYLK-UHFFFAOYSA-N 437.590 5.636 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O)c1ccccc1Br 2314437063 BOZDUWYGHPCWEK-UHFFFAOYSA-N 439.236 5.424 30 10 IKEE O=C1C(=Cc2cccc(Cl)c2Cl)Oc2cc(OCc3ccc(F)cc3Cl)ccc21 2314437071 BTSNMSSDGFTMLJ-UHFFFAOYSA-N 449.692 6.981 30 10 IKEE C=CCc1ccccc1OCCCn1c(C=Cc2ccc(Cl)cc2)nc2ccccc21 2314899113 QSRFLBZRCDJXDH-UHFFFAOYSA-N 428.963 7.058 30 10 IKEE CC(C)[C@@H]1C[C@@H](Nc2ccc(Br)cc2C#N)CN1C(=O)OCc1ccccc1 2321514235 IVYKVXAHOOSBDQ-CTNGQTDRSA-N 442.357 5.168 30 10 IKEE CCOCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1cn(CC)c2ccccc12)C3=O 2322145759 QIHXFXQUIFAAGV-UHFFFAOYSA-N 446.547 5.164 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1ccccc1)c1cccc(Br)c1 2322464968 IXAOGNYDGRKQNY-UHFFFAOYSA-N 427.725 6.578 30 10 IKEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1ccc(Cl)cc1)NC1CCCCC1 2322532134 MKVUMVPVXDIGFS-UHFFFAOYSA-N 432.347 5.717 30 10 IKEE O=C(C=Cc1c(OCc2cccc(F)c2)ccc2ccccc12)c1cccc2ccccc12 2322722496 QVPIFKDSCUQREW-UHFFFAOYSA-N 432.494 7.607 30 10 IKEE Cc1c(OC(=O)C2CCCCC2)ccc2c1OC(=Cc1c(Cl)cccc1Cl)C2=O 2322747928 KGJDOXOIQJONTR-UHFFFAOYSA-N 431.315 6.404 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2cccc(Cl)c2)c(C)c1C 2322825166 RVAQRDGGIMDDPL-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE C=CCOc1c(OC)ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)c1Br 2323259337 PVINIEOLTUCERF-UHFFFAOYSA-N 429.354 6.152 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O)c1ccc(C(F)(F)F)cc1 2323351808 MLZFFFIDAWCKLW-UHFFFAOYSA-N 428.337 5.680 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccccn1)C2=O)C(Br)=Cc1ccccc1 2323446655 KRNCJKBZXPIQKG-UHFFFAOYSA-N 448.272 5.039 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OCC(=O)NC3CCCCC3)c(Cl)c2)c1 2323486909 OYDGWUDHSKOZPL-UHFFFAOYSA-N 427.928 5.072 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Br)c(OC)c(Br)c2)cc1C 2323561339 HKPRBTAWOWMTQA-UHFFFAOYSA-N 440.131 5.433 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OC(=O)c4cc5ccccc5oc4=O)c3C)C2=O)c1 2323573728 MLPAHVSHNCLESD-UHFFFAOYSA-N 438.435 5.245 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc3ccccc23)cc(OC)c1OCc1ccccc1 2324145445 BQVSDKLDPODZTM-UHFFFAOYSA-N 434.535 7.052 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3c(ccc(O)c3CN3CCOc4ccccc43)C2=O)cc1 2324155832 YMRVLOJPZDAXCY-UHFFFAOYSA-N 441.527 5.705 30 10 IKEE CCCOc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc1Br 2324220838 UCBSUQXMCAIDTM-UHFFFAOYSA-N 431.370 6.440 30 10 IKEE CCCCCCOc1ccc2c(c1C)OC(=Cc1cc(Br)ccc1OC)C2=O 2324261905 RYTNWZBNTJTAIK-UHFFFAOYSA-N 445.353 6.341 30 10 IKEE Cc1cccc(OCCOc2ccc3c(c2C)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)c1 2324534932 QAZOSUISFWZGBP-UHFFFAOYSA-N 431.444 5.286 30 10 IKEE CCOc1c(Br)cc(C=CC(=O)c2ccc(OC)c3ccccc23)cc1OC 2324685794 SIDZCHHCRZYSHF-UHFFFAOYSA-N 441.321 5.914 30 10 IKEE Cc1c(OCCOc2ccc(C(C)(C)C)cc2)ccc2c1OC(=Cc1ccccc1F)C2=O 2324690341 KVSNDMIKTPGSDE-UHFFFAOYSA-N 446.518 6.506 30 10 IKEE COC(=O)c1ccc(C=C2Oc3cc(OCc4cc(C)c(C)cc4C)cc(C)c3C2=O)cc1 2324765407 XGDBTYIYTTYXRY-UHFFFAOYSA-N 442.511 5.902 30 10 IKEE CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2325079204 DSKNKYKZQFYJON-XMMPIXPASA-N 442.511 6.080 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(c3ccccc3)c3ccccc3)cc(C)c2C1=O 2325216701 ZUISOIDVPPPOSJ-UHFFFAOYSA-N 432.519 7.088 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccc(C#N)cc4)c3C)C2=O)c1 2325306974 WBBWWACOLUMSRS-SFHVURJKSA-N 438.483 5.197 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(C(C)C)cc2)cc2c1C(=O)C(=Cc1ccccc1F)O2 2325318538 AYRSEMIPDHYNLD-UHFFFAOYSA-N 445.490 5.891 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccccc2F)C3=O)cc1 2325613987 GTPYSGPZIZHDCE-KRWDZBQOSA-N 445.490 5.973 30 10 IKEE O=C(COc1ccc(Cl)cc1)Oc1cccc(C=CC(=O)c2ccc3c(c2)CCCC3)c1 2325701819 SLWMRMVRARTONL-UHFFFAOYSA-N 446.930 6.099 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1OC 2325703751 ATKGEHDBHQBIPJ-UHFFFAOYSA-N 444.527 6.117 30 10 IKEE CCCCC(=O)Oc1cc(C=CC(=O)c2ccccc2OC)c(Br)cc1OC 2325723784 LQFYYNMDXKPNGG-UHFFFAOYSA-N 447.325 5.458 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)CCc3ccc(Cl)cc3)c2)cc1 2325734882 GAUBJKZZAVCLOB-UHFFFAOYSA-N 434.919 6.173 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2cccc(F)c2)C3=O)c1C 2325738135 ZPSGZKFUXCYOIV-UHFFFAOYSA-N 431.463 5.385 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C=CC(=O)c3cc(C)ccc3C)ccc2OC)cc1 2325739841 JMWGPDZIUHZQMZ-UHFFFAOYSA-N 430.500 5.826 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1OC(=O)c1ccc(C)c([N+](=O)[O-])c1 2325751046 SQKRRNNIJYTRSH-UHFFFAOYSA-N 435.407 5.166 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2cccc(F)c2)c1)c1ccc(Oc2ccccc2)cc1 2325754871 QBAKLFXKIHKFIS-UHFFFAOYSA-N 438.454 6.733 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cccc(OC(=O)Cc2ccccc2Cl)c1 2325757457 GUFUBTWVFWJSFU-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE C=CCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccccc1 2325813314 MWLYGTBACNKNRJ-UHFFFAOYSA-N 441.000 5.720 30 10 IKEE CCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1c(C)[nH]c2ccccc12 2326326420 ARZZCMOUWJZTDX-UHFFFAOYSA-N 431.609 6.102 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(O)c(Cl)c1 2326492894 AXTVUYZKVDVLBE-UHFFFAOYSA-N 441.771 5.681 30 10 IKEE C(=Nn1c(CC23CC4CC(CC(C4)C2)C3)nnc1SCc1ccccc1)c1ccc[nH]1 2326911217 GRLQEGKXNVURGV-UHFFFAOYSA-N 431.609 5.540 30 10 IKEE CCCCCOc1ccc(C=Nn2c(CCc3ccccc3OC)nnc2SC)cc1 2328666766 QNACSYUVQGAYIE-UHFFFAOYSA-N 438.597 5.245 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3cccs3)n2N=Cc2ccccc2C)c1 2329665297 DGHKJNNDBDQTDB-UHFFFAOYSA-N 446.645 6.225 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)cc3)n2N=Cc2cccc(C)c2)cc1 2329935462 USPVKYGJRXSWPJ-UHFFFAOYSA-N 426.589 5.969 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2ccc(C)cc2)nnc1-c1ccccc1 2330625061 NETXJPHKTUMKPY-UHFFFAOYSA-N 440.572 5.993 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3ccc(CC)cc3)cc2)cc1 2330741153 IJSAPASFLKIHEO-UHFFFAOYSA-N 442.555 6.472 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)cc2)cc1C 2330855633 NNJJXHWITXGICU-PKTZIBPZSA-N 446.930 6.262 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)C3CCCC3)c(OCC)c2)cc1 2331201974 OCPDRXNSIWLWCZ-UHFFFAOYSA-N 442.939 6.129 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(C)c3)cc2)cc1 2331332898 ZMCDGOVHBWXFBK-UHFFFAOYSA-N 446.518 6.357 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2ccccc2C)c1 2331377101 HXYRMMMJLMHFCC-UHFFFAOYSA-N 435.597 5.114 30 10 IKEE CC(C)(C)c1nnc(SCc2ccccc2Cl)n1N=Cc1ccccc1C(=O)O 2331398095 GARRZWGFFBEQRU-UHFFFAOYSA-N 428.945 5.102 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(SCCc2ccccc2)nnc1C(C)(C)C 2331398470 YJUHEYBLRBBWPJ-UHFFFAOYSA-N 444.604 5.954 30 10 IKEE CCCCOc1ccc(C=Nn2c(CC(C)C)nnc2SCc2cccc(C)c2)cc1 2331440485 YUOQFLZMYOQTNV-UHFFFAOYSA-N 436.625 6.138 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)CC(C)(C)C 2331489378 WVDRZHVRRDUALC-UHFFFAOYSA-N 428.956 6.710 30 10 IKEE Cc1cccc(C=Nn2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2C2CCC2)c1 2331496206 YAXLKVZEFYQJRT-UHFFFAOYSA-N 433.581 5.084 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 2331527745 VNQDGQJFARMYLI-UHFFFAOYSA-N 425.799 5.503 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccccc2F)cc1 2331545610 HPZQGQIIPNKSKE-UHFFFAOYSA-N 432.491 6.247 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1N=Cc1ccc(Cl)cc1 2331630766 PYDGIVGHBXHCIR-UHFFFAOYSA-N 441.988 5.114 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2cc(C)cc(C)c2)c(Cl)c1 2331662080 XOCRERPAKGRNCF-UHFFFAOYSA-N 448.946 6.698 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2cc(Cl)c(OC)cc2OC)cc1Cl 2331698430 WZFSCXGFXVRBKE-UHFFFAOYSA-N 437.319 6.002 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc(OC)c1OC(=O)C1CC1 2331759041 SZHZMFBPVIKYIU-UHFFFAOYSA-N 440.923 5.606 30 10 IKEE N#Cc1ccc(OCc2ccc(Cl)cc2I)cc1Br 2340081471 FLTJVAJPTMGTPP-UHFFFAOYSA-N 448.485 5.158 30 10 IKEE CC1(C)OB(/C=C/c2ccc(Nc3ccc(Br)c(Cl)c3)nc2)OC1(C)C 2365106482 LDZVKYOUSLNLBG-MDZDMXLPSA-N 435.558 5.886 30 10 IKEE CSc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(Cl)c(Cl)c2)C3)cc1 21242566 LDOUGHSRJBQYAX-GOEBONIOSA-N 432.372 5.720 30 10 IKEE COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)c(OC)c1 21252843 QGDBDPFHIKYGGX-GDJIYFAZSA-N 440.543 5.992 30 10 IKEE CCOc1ccccc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2c1c(C)nn2-c1ccccc1 21658608 NZPAMPAPOOIXTO-XMMPIXPASA-N 427.548 5.780 30 10 IKEE CCOc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)cc1 21722328 MPPAOJDPMZISDT-RUZDIDTESA-N 443.503 5.891 30 10 IKEE C[C@@H](C#N)Sc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccc(F)c(Cl)c1 23542442 GXCNWVSLCUJLKI-VIFPVBQESA-N 427.719 6.038 30 10 IKEE O=C(/C=C\c1ccccc1F)c1c(-c2ccccc2)c2cc(Br)ccc2[nH]c1=O 33409683 GRBYMNOBSAWKHU-RAXLEYEMSA-N 448.291 5.993 30 10 IKEE COc1c(Br)cc(Br)cc1CNc1cc(Cl)ccc1C#N 37277795 MDYYWPBMNDCFBH-UHFFFAOYSA-N 430.527 5.357 30 10 IKEE C=CCc1ccccc1OCc1nc2ccccc2n1CCCCOc1ccccc1Cl 39907173 MFYYMTDUEDBHJG-UHFFFAOYSA-N 446.978 6.856 30 10 IKEE O=C1/C(=C/c2ccccc2OC(F)F)Oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc21 41501787 LBULEUIFQGZXNC-NHDPSOOVSA-N 439.370 5.391 30 10 IKEE C=CCn1c(SCCC(=O)Nc2ccc(OCC)cc2)nnc1-c1cccc(Cl)c1 59794810 MKTBOCIWJNPOQJ-UHFFFAOYSA-N 442.972 5.304 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)N(CCC#N)Cc2ccccc2)cc1 60043396 MPIJXDBZMXULOV-UHFFFAOYSA-N 437.609 5.466 30 10 IKEE CCCCCCCOc1ccc(NCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 100077192 OHMGDYVDEUDNAA-UHFFFAOYSA-N 432.564 6.879 30 10 IKEE CCCCCCCCCCCCn1c([C@@H](C)NC(=O)c2ccncc2)nc2ccccc21 102107960 ZZNMDXZBWUGSRF-JOCHJYFZSA-N 434.628 6.843 30 10 IKEE Cc1cc(N2C(=O)C(=O)/C(=C(\O)c3ccc(F)cc3)[C@H]2c2ccc(Cl)c(Cl)c2)no1 102691993 SRBWSVMELFJEJV-LYHOESIGSA-N 447.249 5.055 30 10 IKEE N#Cc1cc(NC(=O)c2cnc(-c3ccccc3Cl)s2)ccc1OCC(F)(F)F 109578330 WYBLTDNQUWGOOI-UHFFFAOYSA-N 437.830 5.529 30 10 IKEE CCCCCCOc1ccc(/C=N\Nc2nc(-c3cccc(OC)c3)cs2)cc1OC 169941447 BIDFMJGWFQVSAS-XYGWBWBKSA-N 439.581 6.232 30 10 IKEE COc1cc(/C=N\Nc2nc(-c3cccs3)c(C)s2)cc([N+](=O)[O-])c1OC(C)C 169942265 BOEPDRZWTSHLRO-JMIUGGIZSA-N 432.527 5.330 30 10 IKEE COc1cc(/C=N\NC(=S)NC2CCCCC2)ccc1OCc1cc(C)ccc1C 169943397 UMSRQRLTKZKNBP-MYYYXRDXSA-N 425.598 5.022 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(O)cc2)cc1C 169960124 SKHTZNLYBBZCPV-DEOSSOPVSA-N 439.467 5.538 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OCC)c3)[C@H]2c2cccs2)cc1 169981867 KGEDZKIVYQACIO-QFIPXVFZSA-N 449.528 5.328 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccccc2)cc1 170032549 KGYBMUGXPUCUTF-VWLOTQADSA-N 441.527 5.875 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)[C@@H]1c1ccco1)c1ccc(Cl)cc1 170095371 RQCOLEWCJGMBMJ-GOSISDBHSA-N 447.796 5.735 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1ccc(OC)cc1 170116112 JNYZBZGZNLVFMB-NRFANRHFSA-N 439.895 5.473 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CCOC(C)C)c1 170139854 BOWKFBZWQVMDTQ-FQEVSTJZSA-N 448.346 5.305 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(OC(C)C)cc1 170152404 QKTSOUKLURZSCX-FQEVSTJZSA-N 448.346 5.769 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1cccs1 170155600 QLUCRHLIADZSMR-LJQANCHMSA-N 443.883 5.332 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1cccnc1 170189466 GDOZLTPILUAHTO-NRFANRHFSA-N 448.906 5.143 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccc(OCC)cc1 170214494 BJDFWEJDMZFDSX-XDHUDOTRSA-N 449.547 5.177 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2cccc3ccccc23)cc1C 170221207 ASACSCXHTNDVGW-VWLOTQADSA-N 443.543 5.925 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccco1 170284399 RQTIWIYCIZDEBZ-QHCPKHFHSA-N 443.886 6.178 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@H]1c1ccco1 170288799 NERYYVGFWKUOPD-JOCHJYFZSA-N 449.890 5.349 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2c2cccc(F)c2)o1 170299092 HAXULXVCCVSCOZ-QHCPKHFHSA-N 447.506 6.116 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccc(C)o2)cc1 170301767 SBEUAEUNSLEIFN-HSZRJFAPSA-N 431.488 5.386 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1C1CCCCC1 170317608 JFRIIFKURJVHHM-QFIPXVFZSA-N 431.557 6.121 30 10 IKEE O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccccc1C(F)(F)F 170322589 YYCXSXHQKRPILE-UHFFFAOYSA-N 444.253 5.320 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccc(OC(C)C)c2)c1 170347493 LJOWKRVZAWVLBH-QFIPXVFZSA-N 449.528 5.327 30 10 IKEE COc1ccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 170428730 SFKCEFBJEZCJAQ-LJQANCHMSA-N 436.533 5.129 30 10 IKEE CCOc1cccc(/C=C2/Oc3cc(OC)ccc3C2=O)c1OC(=O)c1ccccc1F 210091290 VVMINTCBCQJIOE-LPYMAVHISA-N 434.419 5.068 30 10 IKEE CCOc1ccc(N2C(=O)C(=O)/C(=C(O)/C=C/c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 229101859 NXOUPXDCLRTMHD-XTNVSLKJSA-N 443.474 5.407 30 10 IKEE Cc1ccc(N=C2C(=O)N(CN3CCC(Cc4ccccc4)CC3)c3ccccc32)cc1C 252629416 UFJYPVQGWGHXJA-UHFFFAOYSA-N 437.587 5.683 30 10 IKEE C=CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2CC)SC1=Nc1ccccc1C 254509775 MVMLFSSJLHMRNX-JSYGVCDLSA-N 437.590 5.554 30 10 IKEE CCCCCOc1ccc(C(=O)Oc2ccc(C=Nc3ccc(CCCC)cc3)cc2)cc1 254565766 BJLSDAMCJAVFCJ-UHFFFAOYSA-N 443.587 7.568 30 10 IKEE CSc1ccc(/C=C\C(=O)N2C(=Nc3ccc(C)cc3)SCc3ccccc32)cc1 254853722 HYGJKYQQDMLYKN-MSDYVCEYSA-N 430.598 6.698 30 10 IKEE C=C(COC(C)C)[C@H](NCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 407056340 LWMZAAVFTDHGPO-SFHVURJKSA-N 427.383 5.428 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccc(C)c2)cc1Cl 526522934 UGFIXBPXHSVBGY-DEOSSOPVSA-N 444.918 5.976 30 10 IKEE CC(C)COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccc(F)c2)c1 526604320 HSHUBIPGLDZMFH-VWLOTQADSA-N 442.490 5.789 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1ccccc1OCC(C)C 526802131 DLIOISVBTOQTJM-QFEZKATASA-N 426.561 5.579 30 10 IKEE CCCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1ccccc1Cl 526805450 GVYVHWUPZGDRBY-QQXSKIMKSA-N 441.044 6.746 30 10 IKEE Cc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1cccc(Cl)c1Cl 526817498 OJBYPEAMYDLWCH-UYOCIXKTSA-N 429.735 5.860 30 10 IKEE CCCCc1nnc(SCc2ccc(Br)cc2)n1/N=C\c1cccc(C)c1 526820873 MSPDWTZVOQYNIB-UCQKPKSFSA-N 443.414 5.866 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1c(O)ccc2ccccc12 526823047 QFAFUVOLEWIJCS-YUMHPJSZSA-N 441.560 5.526 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@H](NC(=O)/C=C/c3cccc(F)c3)C2)c1 586056584 ZNKHUMXKKWUQSZ-XXFRDUSWSA-N 449.570 5.098 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]([C@@](C)(C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 699644850 PQVPRXOIGHBCHP-NBGIEHNGSA-N 443.588 5.353 30 10 IKEE C=CCCCCC[C@H](N)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 708588142 GXIAJEZMJQCGNU-RBUKOAKNSA-N 425.411 5.349 30 10 IKEE C[C@@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@]43C)[C@@H]1C/C(=C\c1ccc(Br)cc1)C2=O 1074740204 CTGFFXZZHKKDLF-JPWGYTRKSA-N 441.453 7.444 30 10 IKEE CCC(=NNc1nc(SCc2nnc(-c3ccc(Cl)cc3)o2)n[nH]1)c1ccccc1 1084202028 RWSVXWYMLFJWAE-UHFFFAOYSA-N 439.932 5.027 30 10 IKEE Cc1ccc(NC(=O)CSc2nc3ccc(N=Cc4ccc(F)cc4)cc3s2)c(C)c1 1084374006 DHLMVOLRAPWLPH-UHFFFAOYSA-N 449.576 6.534 30 10 IKEE COc1ccc(/C=C2\S/C(=N\N=C/c3ccccc3C)N(Cc3ccco3)C2=O)cc1 1554646726 INMRLSCSOQEVFM-DOSRWIIRSA-N 431.517 5.103 30 10 IKEE C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC/C2=N/N=C/c1ccccc1C(F)(F)F 1613971507 FHIHDASURXFVSB-OUUVOWFCSA-N 444.585 7.913 30 10 IKEE Cc1csc(N=C2S/C(=C\c3ccc4c(c3)OCO4)C(=O)N2C2CCCCC2)n1 1772733811 AROXGNFJPAURIG-OAYSZFDTSA-N 427.551 5.117 30 10 IKEE C=CCOc1ccc(/C=C2\SC(=Nc3cccc(C)n3)N(C3CCCCC3)C2=O)cc1 1772739669 XXSACHBHWLEJAL-UECNKTLHSA-N 433.577 5.892 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2[C@H](C)CC)cc1 1862382582 DNXBNSYHEHUHGT-XCLFUZPHSA-N 448.346 5.769 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccccc1[N+](=O)[O-] 1862384666 XNXDAIWEAYLFHJ-VOJFVSQTSA-N 449.290 5.278 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(F)c2)cc1 1862391358 YQNWMEPGCDIRGI-HSZRJFAPSA-N 433.479 5.540 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1c(F)cccc1Cl 1862404515 COZUROSLMGFRNX-ZUOKHONESA-N 431.891 5.173 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1C 1862405409 CLHFRNGVWJOBLP-HXUWFJFHSA-N 448.346 5.545 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(F)cc2F)=C(O)C(=O)N1[C@@H]1CCCC[C@H]1C 1862412163 YANSEVCBJNQTLQ-RBQRDFNRSA-N 425.475 5.430 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@H]2c2cccc(F)c2)c1 1862413758 KKFMRXBXXSGRKA-JOCHJYFZSA-N 437.417 5.191 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(OCCCCC)cc1 1862422433 FKZMNBGLOYDGHM-QFIPXVFZSA-N 441.474 5.298 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(F)cc1F 1862432772 MRSRSUPEXLKPPP-FQEVSTJZSA-N 433.882 5.777 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(N(C)C)cc2)c1 1862493038 GQYIOUXBEAVERC-HSZRJFAPSA-N 446.572 5.209 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCC(C)C)cc1 1862496611 NVBXJWVHCBKUAS-VWLOTQADSA-N 449.591 6.107 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(N(CC)CC)cc1 1862498180 BWNYCNFDQDKFLX-CYFREDJKSA-N 434.580 5.526 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862507560 OGSHJWDFJAJCJR-HSZRJFAPSA-N 433.454 5.360 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@@H]2c2cccc(O)c2)cc1 1862533109 KLYLRNWFBWIEJQ-HSZRJFAPSA-N 447.918 5.387 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccccc1C 1862534001 PMQXWBZPTXBMIA-RDGATRHJSA-N 433.592 6.495 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2[C@@H](C)CC)cc1OC 1862537742 CGRBIVMUIGBOPK-HJPURHCSSA-N 437.536 5.033 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1F 1862584346 WMJPMPQNJQSJHS-GOSISDBHSA-N 440.273 5.506 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccccc2)cc1 1862617003 WYWNQUMXRRHUHZ-XMMPIXPASA-N 443.518 5.902 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2c(Cl)cccc2Cl)cc1 1862622764 HNYBMMYSCFWKAU-FQEVSTJZSA-N 444.358 6.032 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccc1C(=O)O 1862651189 MZIDLBVNNRHGNF-QHCPKHFHSA-N 443.499 5.162 30 10 IKEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1cccc(Cl)c1)c1cccc2ccccc12 1862652086 CJFGWUOQOYOCRW-WMZHIEFXSA-N 447.918 5.251 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(C(=O)O)cc2)cc1 1862664677 OIFRTLHCQXYDGS-QHCPKHFHSA-N 447.531 5.419 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 1862665790 OHYYUOLDMNIYEZ-JOCHJYFZSA-N 436.508 5.343 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1c(F)cccc1Cl 1862666379 CHCSSVWNSWGAAD-OAQYLSRUSA-N 445.918 5.217 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2cc(Cl)cc(Cl)c2)cc1 1862690059 GSWDUZBBYHFKTB-LJQANCHMSA-N 434.319 5.236 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2cccc(C)c2)c1 1862698342 GJAJQWZALIAENY-DEOSSOPVSA-N 427.500 5.091 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(C(F)(F)F)cc1 1862716769 NYNXZNGUIDJSLI-OAQYLSRUSA-N 439.433 5.847 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 1862728026 RKLCRTITOIWUCC-HSZRJFAPSA-N 442.471 5.249 30 10 IKEE CSc1cccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(F)c(C)c3)C2=O)c1 1863097651 ZCHSMXSBGJISCZ-UHFFFAOYSA-N 443.503 5.124 30 10 IKEE Cc1ccc(NC2=C(c3c[nH]c4ccccc34)C(=O)N(c3cccc(C#N)c3)C2=O)cc1C 1863131602 NTGGYINNBSSCQO-UHFFFAOYSA-N 432.483 5.053 30 10 IKEE C[C@H]1CCCC[C@@H]1N1C(=O)C(Nc2ccccc2C#N)=C(c2cccc3ccccc23)C1=O 1863230481 GLQZZKZORSXRML-UUOWRZLLSA-N 435.527 5.482 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccccc2[N+](=O)[O-])C1=O 1863238114 HDGKNBRBUDBJCX-UHFFFAOYSA-N 446.507 5.019 30 10 IKEE Cc1cc(OCCCC(=O)Nc2c(C#N)c(-c3ccccc3F)nn2C)cc(C)c1Cl 1865935920 PEJHUCKEVGHVBM-UHFFFAOYSA-N 440.906 5.166 30 10 IKEE CCCC[C@H](NC(=O)[C@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866963697 MMWKHCBWXYLVHS-DQEYMECFSA-N 433.596 5.735 30 10 IKEE N#Cc1ccc(Nc2cc(N3CC[C@@H](c4ccco4)C3)nc(-c3ccc(Cl)cc3)n2)cc1 1868441575 AAFKEJAWMFFOSD-LJQANCHMSA-N 441.922 5.999 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)[C@H](c1ccc(C(C)C)cc1)C(C)C)c1ccccc1 1868850036 AZDGFNCRWOBDOU-UIOOFZCWSA-N 432.608 5.608 30 10 IKEE CC(C)c1ccc(/C=C/C(=O)Nc2c(C#N)nnn2-c2cc(C(C)C)cc(C(C)C)c2)cc1 1870140925 QUGQJLISPBUECE-FMIVXFBMSA-N 441.579 6.161 30 10 IKEE C=CCn1cc(OCCCCCCC)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870833244 FEVUUAFDCNJPLE-UHFFFAOYSA-N 445.607 6.739 30 10 IKEE CCCCCCCCCCn1cc(OCC(C)C)c(=O)cc1CNc1cccc(C)c1C 1870858641 RTZKAZKKKIATOX-UHFFFAOYSA-N 440.672 7.253 30 10 IKEE C=CCn1cc(OCCOc2ccc(Cl)cc2)c(=O)cc1CNc1cccc(C)c1C 1870883188 OVWMFOZRJYNPGA-UHFFFAOYSA-N 438.955 5.374 30 10 IKEE CCc1ccc([C@@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2sccc2C)C4=O)cc1 1871354346 NWUIMRTUYPGVHS-SUVVMJBMSA-N 431.557 6.148 30 10 IKEE CCCN(CCC)Cc1c(O)cc(C)c2c1O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 1871394044 ACXCVYAIYJSIBD-ITYLOYPMSA-N 441.571 6.606 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCCCCOc3ccccc3C)ccc2C1=O 1871404140 DEYPCCDZNNWIIC-IMRQLAEWSA-N 444.527 6.248 30 10 IKEE Cc1cccc(OCCOc2ccc3c(c2C)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)c1 1871407889 QAZOSUISFWZGBP-HAHDFKILSA-N 431.444 5.286 30 10 IKEE CCCCCCOC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(N(C)C)cc1)C2=O 1871422345 WQHXOXIAZDXANK-KQWNVCNZSA-N 437.536 5.180 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1ccc2c(c1C)O/C(=C\c1cccc(F)c1)C2=O 1871429245 NFCQSOGMKIGFLQ-RGNNIMSVSA-N 440.511 6.031 30 10 IKEE Cc1cc(OCc2cccc3ccccc23)cc2c1C(=O)/C(=C/c1cn(C)c3ccccc13)O2 1871433414 DCWZMUOODJMXQY-MBTHVWNTSA-N 445.518 6.835 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccccc3C)cc(C)c2C1=O 1871453750 PVFXNYFGMXXUNY-OYKKKHCWSA-N 443.499 5.336 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)cc1)[C@@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1871776818 PJUDCXDAPWBKDL-PGRDOPGGSA-N 449.016 5.269 30 10 IKEE C=CCN([C@@H](CC)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1cc(C)ccc1C 1871841623 UCMXLVMHGIAUCZ-QFIPXVFZSA-N 428.598 5.021 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1cc(C)ccc1C 1872556314 CPMYHRBOTIHNLE-HSZRJFAPSA-N 442.625 5.294 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccccc3C)n2)cc1OC 1872761730 ULHJFQIAGXVAAL-SFHVURJKSA-N 436.533 5.171 30 10 IKEE CCCCCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1 1872764827 ZCYGADSCAOSBEL-JOCHJYFZSA-N 434.561 6.268 30 10 IKEE CCOC(=O)Oc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(F)cc3F)cs2)cc1 1872767515 UDVVNLBNBBKUSL-MRXNPFEDSA-N 428.416 5.114 30 10 IKEE Cc1ccc(C)c(-c2csc([C@H](C#N)C(=O)COc3ccc(Cl)cc3Cl)n2)c1 1872773380 ZVGIKABQKOCPSH-MRXNPFEDSA-N 431.344 5.989 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccc(C(C)(C)C)cc3)n2)cc1C 1872783222 UWCAZNAGWWPSFK-HSZRJFAPSA-N 446.616 6.760 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccc(C(C)C)cc3)n2)cc1C 1872787368 IMWROPUMHBKRBQ-AVRDEDQJSA-N 448.588 6.203 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)cc1 1872787850 SXDAEBOMODSEDR-MAIVGLDJSA-N 432.545 5.724 30 10 IKEE CCCCCCCCCCNC1=C(c2cccc(Cl)c2Cl)C(=O)N(CCC)C1=O 1873127526 SVNCNPBHSXQQMF-UHFFFAOYSA-N 439.427 6.214 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C)c(C)c2)=C(c2cc(F)cc(F)c2)C1=O 1873318064 INLJXTDXGIAYFA-UHFFFAOYSA-N 440.534 6.134 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)cc2C)cc2c(NCc3ccc(F)cc3)ncnc21 1873611777 RJJLGXDCOZHBTM-UHFFFAOYSA-N 429.499 5.238 30 10 IKEE CCCCCCc1c(C)c2ccc(OCC(=O)Nc3ccc(C#N)cc3)c(C)c2oc1=O 1873867560 SGUNKMUPPOATLE-UHFFFAOYSA-N 432.520 5.422 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCC)n1/N=C/c1ccccc1Cl 1874227396 YFJJDFFMYIGHAU-OEAKJJBVSA-N 428.945 5.070 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCC)n1/N=C/c1cccc2ccccc12 1874227434 ZHQHPXVMKCLMJT-YZSQISJMSA-N 444.560 5.569 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCCC)n1/N=C/c1ccccc1Cl 1874228505 MUOOJYXCTZHJBJ-BUVRLJJBSA-N 442.972 5.460 30 10 IKEE CCCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccccc1C(=O)O 1874271250 LWTHPZRWEBUXMY-PCLIKHOPSA-N 430.533 5.105 30 10 IKEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1cn(C)c2ccccc12 1874283655 SMRBHTLVHWQMSJ-MFKUBSTISA-N 435.984 5.369 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(OC)cc2)n1/N=C/c1ccccc1Cl 1874292373 ZWRWHVALPDTBFZ-FSJBWODESA-N 428.945 5.070 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(OC)cc2)n1/N=C/c1c[nH]c2ccccc12 1874305669 JCFZYMOKNXDLLZ-CVKSISIWSA-N 431.565 5.104 30 10 IKEE COc1cccc(/C=N/n2c(Cc3ccc(Cl)cc3)nnc2SCc2ccccc2)c1 1874342525 UKXMVPZTUKRLCG-WGOQTCKBSA-N 448.979 5.705 30 10 IKEE Cc1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SCc2cccc(C)c2)cc1 1874374833 PQFYEBHWDAOTSX-JVWAILMASA-N 430.552 5.799 30 10 IKEE CCCOc1ccc(/C=N/n2c(Cc3ccc(C)cc3)nnc2SCC)cc1OCC 1874389031 MVKCFLXVONESCP-KOEQRZSOSA-N 438.597 5.359 30 10 IKEE Oc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCCc2ccccc2)c(O)c1 1874408389 UJUKGVUKIYJHAP-KOEQRZSOSA-N 436.581 5.029 30 10 IKEE Cn1cccc1/C=N/n1c(CC2CCCCC2)nnc1SCc1ccc(Cl)cc1 1874408970 YLYMTPHGXMAXIO-BUVRLJJBSA-N 428.005 5.567 30 10 IKEE COc1cc(/C=N/n2c(SCc3ccccc3C)nnc2-c2cccs2)ccc1O 1874421114 VUTRBOAOSAMUPJ-YDZHTSKRSA-N 436.562 5.204 30 10 IKEE Cc1cccc(CSc2nnc(-c3cccs3)n2/N=C/c2c(F)cccc2Cl)c1 1874421818 GEGMKGODEJYJJC-WYMPLXKRSA-N 442.972 6.282 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc(C(=O)O)cc1 1874440886 YFPIEMVHMDRWHL-ZMOGYAJESA-N 442.972 5.393 30 10 IKEE Cc1ccc(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2c(F)cccc2Cl)cc1 1874441852 KSUBNCMBTMCWIB-OGBFJMLUSA-N 430.936 5.405 30 10 IKEE O=C(CSc1nnc(C2CCCC2)n1/N=C/c1ccccc1Cl)NC1CCCCC1 1874455957 SOUHHNOAAOQKQU-ZVHZXABRSA-N 446.020 5.012 30 10 IKEE Cc1ccccc1/C=N/n1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1ccco1 1874464654 VGPKPMOQZUUFCH-AFUMVMLFSA-N 445.548 5.076 30 10 IKEE CCc1ccc(/C=N/n2c(CCOC)nnc2SCc2ccc(Cl)cc2Cl)cc1 1874474332 YIWLOITVHYZVMW-ZMOGYAJESA-N 449.407 5.511 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2C(C)(C)C)cc1 1874484225 LIENNEGNMQRUFV-LGUFXXKBSA-N 436.625 5.972 30 10 IKEE CCCOc1cccc(/C=N/n2c(CC(C)C)nnc2SCc2ccccc2Cl)c1 1874490113 AAHWAWURUKEPOF-MFKUBSTISA-N 443.016 6.093 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2cc(C)ccc2C)nnc1C1CCC1 1874496075 UKBUUHKGZKUSGC-WGOQTCKBSA-N 434.609 6.126 30 10 IKEE CC(C)c1nnc(SCc2cccc(Cl)c2)n1/N=C/c1c(Cl)cccc1Cl 1874515599 HASBEFRLTFBFMW-AUEPDCJTSA-N 439.799 6.536 30 10 IKEE CC(C)(C)c1nnc(S)n1/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 1874559573 ZKLBBVNVNISAHK-FOKLQQMPSA-N 435.380 5.632 30 10 IKEE Cc1cc(OCc2nnc(S)n2/N=C/c2c(Cl)cccc2Cl)cc(C)c1Cl 1874568480 AWXAFBFGZZYQJE-GZIVZEMBSA-N 441.771 5.605 30 10 IKEE CC(C)COC(=O)COc1ccc(Br)cc1/C=C/C(=O)c1ccc(F)cc1 1874583910 MNCIIRIDCFAQSC-WEVVVXLNSA-N 435.289 5.062 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2ccccc2OCc2cccc(C)c2)cc1Cl 1874590259 BILVFLYYGHHYBR-ZHACJKMWSA-N 427.327 6.786 30 10 IKEE CCCOC(=O)COc1c(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc(Cl)cc1OC 1874591219 YLIMMCYEDJNEDJ-BQYQJAHWSA-N 446.927 5.202 30 10 IKEE CCOc1c(OC)ccc(/C=C/C(=O)c2ccc(Br)cc2)c1Br 1874593397 HXHDBDUBXZXYBP-UXBLZVDNSA-N 440.131 5.515 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OCC(=O)Nc1ccc(C)cc1C 1874595205 ZHJUCKGIWMUXIU-FMIVXFBMSA-N 449.934 5.879 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3cc(C)ccc3C)c(OC)c2)cc1 1874604253 CJZBTOXZXXGNPE-SDNWHVSQSA-N 430.544 6.358 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(Cl)c3)c([N+](=O)[O-])c2)cc1C 1874606873 KVXMZWVHENGCOA-RMKNXTFCSA-N 437.879 6.040 30 10 IKEE CCCN(CCC)C(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccccc2)cc1OCC 1874614485 JETLYEOLWCLBFC-OUKQBFOZSA-N 443.971 5.662 30 10 IKEE Cc1ccccc1COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1Br 1874625915 CVIOTBKDZDVLOQ-UXBLZVDNSA-N 443.287 6.511 30 10 IKEE C=CCOc1c(Cl)cc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1OCC 1874637306 SIWJIQAAEPTLSZ-VOTSOKGWSA-N 441.738 6.515 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(CC)cc1 1874668777 NJBYBXPRGZRGNL-AREMUKBSSA-N 447.623 5.548 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2cccc(OC(=O)CC34CC5CC(CC(C5)C3)C4)c2)cc1 1874709571 HZXQJTSWPSLYBK-IZZDOVSWSA-N 442.599 7.218 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc(OC(C)=O)cc3)c2)cc1C 1874717906 OMRCTUVGPHOYDN-MDWZMJQESA-N 444.483 5.353 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1Cl 1875087988 LRICRDIOZVEFAF-WYMLVPIESA-N 443.927 6.800 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3cccnc3)c(OC)c2)cc1C 1875107703 FEFBFRLYBQKJQV-SOFGYWHQSA-N 437.879 5.176 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(C)c3)cc2Cl)cc1 1875108189 CFNJKTRJIVVZGQ-KPKJPENVSA-N 434.919 6.335 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2Cl)c(Cl)c1)c1ccc(Cl)cc1 1875126239 WKHBSBSEVVYDOD-VZUCSPMQSA-N 431.702 6.762 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)c1ccc(F)cc1 1875131234 NJAVYPSMLOTDAB-VZUCSPMQSA-N 438.882 6.220 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)CCCSC 1875137782 DQMJYDFOJQRRLX-MDZDMXLPSA-N 432.969 5.910 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)ccc1F 1875140977 HSLGSARSDIGSAP-RUDMXATFSA-N 432.535 6.542 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)cc(Cl)c1OC(=O)[C@H]1CCCO1 1875145846 WGGVJBBUZDLJJV-MHNQQFQPSA-N 444.911 5.036 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)cc3)cc2)c(OCC)c1 1875178214 ZACPIDXWFGDHDB-LICLKQGHSA-N 430.500 5.908 30 10 IKEE O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 1892412691 WGHDNGHJTUFMRO-UHFFFAOYSA-N 443.318 6.908 30 10 IKEE C[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)CN1C(=O)OC(C)(C)C 1900087883 AXORYJSZBLRLCL-OYHNWAKOSA-N 435.952 5.373 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 1924921973 XVGKEYCICSIOTC-BVZFJXPGSA-N 447.620 5.533 30 10 IKEE CCC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1931133246 YUHAPJYRGWQJRV-PMACEKPBSA-N 431.577 5.257 30 10 IKEE CC(C)(C)OC(=O)NCC1CC(C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C1 1937322949 PPRCJCYOGJSVNH-UHFFFAOYSA-N 435.952 5.279 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CC(F)(F)CCN1C(=O)OC(C)(C)C 1948813940 GSJXECXTRNSXPS-RTWAWAEBSA-N 438.559 5.162 30 10 IKEE Cc1cc(Br)sc1[C@@H](C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1950825608 ZPBDZHIBMNXFQU-CYBMUJFWSA-N 427.389 5.883 30 10 IKEE C#CCCCCC(C)(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1951920466 DEAPRDDAUHWSFD-DEOSSOPVSA-N 433.548 5.588 30 10 IKEE C=C(C)CC[C@@H](NCCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997457445 XENHUPPADXFNNN-ZEQKJWHPSA-N 430.633 5.555 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@@]1(C#N)CCCC[C@H]1OCc1ccccc1 1998814825 OYWWSVLPBCNCCN-RCZVLFRGSA-N 440.971 6.503 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1)NCCC 2006570595 JYPCKWXFGDBRFO-PKTZIBPZSA-N 430.633 5.553 30 10 IKEE O=C(C=Cc1ccc(-c2ccc(Br)cc2)o1)c1ccc(N2CCOCC2)cc1 2040965558 IESRTXRJDRIXBD-UHFFFAOYSA-N 438.321 5.442 30 10 IKEE Cc1cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)sc1Cl 2046767836 CXVXFOSOLVYMAE-AWEZNQCLSA-N 441.778 6.479 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Br)ccc1Cl)NCCC 2063091045 YOCMPSYVDIPEAU-IRXDYDNUSA-N 431.802 5.093 30 10 IKEE CCCCCCCC[C@@H](N)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071266567 GHZQCMJPGJDHKH-HHHXNRCGSA-N 431.620 7.595 30 10 IKEE Cc1ccc([C@@H](n2nc(C(F)F)c(C#N)c2I)C2(C)CC2)cc1C 2079014819 JENSYDXAPHIUCG-OAHLLOKOSA-N 441.263 5.303 30 10 IKEE Cc1cc(O)c([C@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C(C)(C)C)cc1C 2080002584 ZRBKVAFMSGGQML-SFHVURJKSA-N 434.378 5.463 30 10 IKEE CCOC(=O)c1c(C(F)(F)F)nn([C@H](c2ccc(C(F)(F)F)c(F)c2)C(C)C)c1N 2080052759 PBCPJOZITSVWCB-ZDUSSCGKSA-N 441.347 5.064 30 10 IKEE CC(C)Oc1ccc([C@@H](C2CC2)n2nc(C(C)C)c(C#N)c2I)cc1 2080114436 VFRUUAZARFPXDJ-LJQANCHMSA-N 449.336 5.269 30 10 IKEE N#Cc1sc(-c2csc(Br)c2Br)c(-c2cccs2)c1N 2150345869 ZNDBBWLNVZXNBD-UHFFFAOYSA-N 446.214 6.184 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CC[C@@H]2CCCN[C@@H]2C1 2166979554 JSXMPOAVOXBMDD-RRMPHLOHSA-N 434.378 5.005 30 10 IKEE CC(C)(C)OC(=O)NCC(C)(C)C1CCN(c2cc(Br)ccc2C#N)CC1 2174808072 JWCDYQVOSRJPGP-UHFFFAOYSA-N 436.394 5.088 30 10 IKEE CC(C)(C)OC(=O)N1CCCC(C)(C)[C@@H]1CNc1cc(Br)cc(F)c1C#N 2184312382 FNWMOZPKVPAABA-KRWDZBQOSA-N 440.357 5.297 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](Cc2cc(F)cc(Br)c2)NCCC)C1 2197747493 DVJXZKFMSAQODB-SFHVURJKSA-N 441.385 5.112 30 10 IKEE CC1(C)OB(c2csnc2CN(Cc2ccccc2)CC2CCCCC2)OC1(C)C 2214608963 GJYNDDSPILNCET-UHFFFAOYSA-N 426.435 5.025 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C1 2214839059 TVNJKVJYMGGYEA-HOOSLVGPSA-N 435.609 5.484 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Cl)cc([C@@H](N)C#Cc2ccccc2Br)c1 2227510019 WCAPFKNRSDXRMQ-SFHVURJKSA-N 435.749 5.501 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCC)c2cc(Cl)c(Cl)c(Cl)c2)C1 2232518425 CDUQEGXPGQPHEU-KRWDZBQOSA-N 433.807 6.159 30 10 IKEE C[C@@H](NC(=O)[C@H]1C[C@H](B2OC(C)(C)C(C)(C)O2)C1)c1ccc(NC(=O)OC(C)(C)C)cc1 2267565249 NFHUPKFJYFOJAF-KBAYOESNSA-N 444.381 5.083 30 10 IKEE CC1(C)OB(c2ccc(NC(=O)N(Cc3ccccc3)CC3CCCC3)cc2)OC1(C)C 2267632568 WSBZYMOFEBENNO-UHFFFAOYSA-N 434.389 5.210 30 10 IKEE Cc1cc(C(=O)N(Cc2ccccc2)c2ccccc2)cc(C)c1B1OC(C)(C)C(C)(C)O1 2282663156 LLVYYLSNYFQOQZ-UHFFFAOYSA-N 441.380 5.450 30 10 IKEE C=C(C)CCCC[C@H](NCCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2287369532 JDCFTPYUXIDSQC-FQEVSTJZSA-N 439.438 6.973 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Br)cc(C(C)(C)C)c1 2288655370 UAIHAUHZNJCPMT-MOPGFXCFSA-N 439.438 5.867 30 10 IKEE O=C1NC(=Nc2cccc(Cl)c2Cl)SC1=Cc1ccc(Cl)c([N+](=O)[O-])c1 2294137630 SAFXLVSSTUUKRG-UHFFFAOYSA-N 428.684 5.447 30 10 IKEE C=CCNC(=S)N1N=C2C(=Cc3ccc(OC)cc3)CCC[C@@H]2[C@@H]1c1ccc(OC)cc1 2296792962 KUDIFHJEAAEZSH-ZCYQVOJMSA-N 447.604 5.361 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(Cl)cc2Cl)SC1=Nc1ccc(O)cc1C(=O)O 2314926117 BFOYLUVLRWXRTR-UHFFFAOYSA-N 449.315 5.187 30 10 IKEE CCOc1ccc(C=Nn2cnnc2SCc2ccc(C(C)(C)C)cc2)cc1Cl 2318574450 LEIKONWTMFXDEP-UHFFFAOYSA-N 428.989 5.802 30 10 IKEE Cc1cc(OCc2ccc(F)cc2Cl)cc2c1C(=O)C(=Cc1ccccc1Cl)O2 2321862795 WTARLWZBRAPPAA-UHFFFAOYSA-N 429.274 6.636 30 10 IKEE C[C@H](c1ccccc1)c1nnc(S)n1N=Cc1ccccc1OCc1ccccc1Cl 2321962525 GQYZFHUOCQTKOE-QGZVFWFLSA-N 448.979 5.833 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(C(C)C)cc1)C3=O)CN(CCCn1ccnc1)CO2 2322373886 HIGQFMJCTUKVGL-UHFFFAOYSA-N 443.547 5.173 30 10 IKEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1cccc2ccccc12)NCc1ccco1 2322724652 HDZVYFCHUMJXPF-UHFFFAOYSA-N 445.902 5.678 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(OC)c3ccccc23)c1OCCc1ccccc1 2323020035 ROVWILLWBANKPX-UHFFFAOYSA-N 438.523 6.375 30 10 IKEE Cc1c(OC(=O)c2cccc(F)c2)ccc2c1OC(=Cc1c(Cl)cccc1Cl)C2=O 2323300084 WPASGXWHACLCHH-UHFFFAOYSA-N 443.257 6.276 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OC(=O)Cc4cccc5ccccc45)c3C)C2=O)c1 2323400154 HHYFGZFSYGVBQK-UHFFFAOYSA-N 434.491 6.221 30 10 IKEE CCCCCCCCCOc1ccc(C=NS(=O)(=O)c2ccc(C)cc2)cc1OC 2323446920 YHWLSFAKAOTIKJ-UHFFFAOYSA-N 431.598 5.941 30 10 IKEE CCCOc1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2)C3=O)cc1 2323460529 ZBHGUOWOYSCEKW-UHFFFAOYSA-N 440.495 6.019 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OCc3cc(C)ccc3C)c(OC)c2)cc1C 2323560985 IPTMAWVZGUGTKM-UHFFFAOYSA-N 446.543 6.113 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3cc(C)ccc3C)c([N+](=O)[O-])c2)cc1C 2323562016 VBBRAWLEOGLZRV-UHFFFAOYSA-N 431.488 6.004 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)cc(Cl)c1OCc1ccccc1F 2323607726 WJQDPLBVPVWUOS-UHFFFAOYSA-N 445.317 7.006 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(OC)c1OCc1cccc(Cl)c1 2323790101 HYDWPGQWIMHENB-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OCC(=O)Nc1ccccc1C 2323896814 ZNWUTPWELZFPJF-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 2323915064 HAWVIGGGZIDYDS-UHFFFAOYSA-N 441.354 7.176 30 10 IKEE CC(C)COC(=O)COc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 2324066213 LXQZPHYDFQHTPD-UHFFFAOYSA-N 439.508 5.366 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3nccs3)c(Cl)c2)cc1 2324158673 PCEWDUDPKMPIOP-UHFFFAOYSA-N 440.952 5.834 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OCc3ccccc3)c(OCC)c2)c1 2324400463 GCNQQXQNVJBXDW-UHFFFAOYSA-N 446.543 6.358 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4cccc(Cl)c4C)ccc3C2=O)cc1 2324430329 SKFYWJQVSVLCSW-QGZVFWFLSA-N 447.918 5.979 30 10 IKEE CCc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccc(C)cc4C)ccc3C2=O)cc1 2324494307 RCAYCTYNQKYJOO-IBGZPJMESA-N 441.527 5.888 30 10 IKEE COc1cc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3C)cs2)ccc1OC(C)=O 2324522153 VTKZAULUGKXJMO-FQEVSTJZSA-N 446.528 5.251 30 10 IKEE N#C[C@H](C(=O)C=Cc1cccc([N+](=O)[O-])c1)c1nc(-c2cccc3ccccc23)cs1 2324637685 GMMRSLBLCFMKST-OAQYLSRUSA-N 425.469 5.761 30 10 IKEE CCCCCCOC(=O)COc1ccc2c(c1C)OC(=Cc1ccc(N(C)C)cc1)C2=O 2325031528 WQHXOXIAZDXANK-UHFFFAOYSA-N 437.536 5.180 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OCc3cccc(Oc4ccccc4)c3)c2C)C1=O 2325351173 HLFAHEHCJSMBJA-UHFFFAOYSA-N 448.518 7.291 30 10 IKEE CCCCOc1ccc(C=Nn2c(CCC)nnc2SCc2ccccc2F)cc1 2325554521 JEGQKYKGVPSYKE-UHFFFAOYSA-N 426.561 5.723 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O)Nc1nc2ccccc2s1 2325589836 GZEQHZXHFBBQNP-UHFFFAOYSA-N 446.459 5.069 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(C=CC(=O)c3cccc([N+](=O)[O-])c3)ccc2OC)c1 2325675311 ULRBUTLVEUFULG-UHFFFAOYSA-N 447.443 5.117 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4cccc5ccccc45)ccc3C2=O)cc1 2325707027 RIMNAZSXDXNBRG-UHFFFAOYSA-N 435.479 5.782 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1OC(=O)c1cccc(F)c1 2325756474 BTPZMRHXYVSWPU-UHFFFAOYSA-N 432.491 6.183 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC)c(OC(=O)[C@@H](C)c3ccccc3)c2)cc1C 2325770725 XLLCDGLOJOJXQW-FQEVSTJZSA-N 444.527 5.926 30 10 IKEE CCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1c(C)n(CC)c2ccccc12 2326672816 YYSNGKMJQBHAKL-UHFFFAOYSA-N 428.565 5.170 30 10 IKEE Cc1cccc(CSc2nnc(COc3c(C)cccc3C)n2N=Cc2ccccn2)c1 2328552217 BKONMXOZNWQXMQ-UHFFFAOYSA-N 443.576 5.352 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccc(C)c(C)c3)n2N=Cc2ccncc2)cc1 2328922114 XIAVYFFMIDIDIS-UHFFFAOYSA-N 441.604 5.558 30 10 IKEE CC(C)c1ccc(C=CC(=O)NCc2ccc(OC(=O)Nc3ccccc3C#N)cc2)cc1 2329313559 YSPCPXXKOAVERV-UHFFFAOYSA-N 439.515 5.622 30 10 IKEE CCCOc1c(C=Nn2c(CCc3ccccc3C)nnc2SCC)cccc1OC 2329480941 CQYBGBCMUBHYGS-UHFFFAOYSA-N 438.597 5.163 30 10 IKEE C=CCSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1c(OC)ccc2ccccc12 2330118781 NAZBFYQTUKTQDS-SFHVURJKSA-N 428.561 5.752 30 10 IKEE Cc1cccc(CSc2nnc(CC3CCCCC3)n2N=Cc2ccccc2C(=O)O)c1 2330246433 GRJLDPNQDXHUND-UHFFFAOYSA-N 448.592 5.582 30 10 IKEE Fc1ccc(C=Nn2c(Cc3cccs3)nnc2SCc2ccccc2)c(F)c1 2330390261 GNXYRLCHSVFEGI-UHFFFAOYSA-N 426.517 5.383 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3C)c(Cl)c2)cc1OC 2330718446 FTOYBASKVYDOKV-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCc3ccccc3)nnc2[C@H]2CCCO2)cc1 2330954846 KSFVIMHXRYRPEL-JOCHJYFZSA-N 435.597 5.150 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCCc2ccccc2)nnc1C1CCCC1 2331077874 GEMONSQLJODQAO-UHFFFAOYSA-N 432.593 5.718 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3F)cc2)cc1 2331084213 AHTJCCACODSRGR-UHFFFAOYSA-N 436.454 5.798 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccccc3Br)cc2)c1 2331313568 VSOHSBLWGBOIKA-UHFFFAOYSA-N 435.317 6.181 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3Cl)c(Cl)c2)c1 2331319529 FFUUKMBHCXJMBS-UHFFFAOYSA-N 439.338 6.654 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(F)cc2F)c(Cl)c1 2331359065 XDSOAPYLUNDKTL-UHFFFAOYSA-N 442.845 6.051 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3Cl)c([N+](=O)[O-])c2)cc1 2331498160 OEVSKAUXPNXWER-UHFFFAOYSA-N 449.890 6.487 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1sccc1C 2331503750 CZQYGYVVLCHRTA-UHFFFAOYSA-N 434.557 6.694 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCC3)n2N=Cc2cn(C)c3ccccc23)c1 2331523071 YFEHUMQEQJSMAQ-UHFFFAOYSA-N 429.593 5.829 30 10 IKEE CCOc1cc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CCC2)ccc1O 2331541950 ZBUYWPBQYHPZLE-UHFFFAOYSA-N 442.972 5.478 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc(Cl)c2)c(Cl)c1)c1ccc(F)c(F)c1 2331557636 ULJCWDJEXWUBLS-UHFFFAOYSA-N 433.237 6.387 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)CC(C)(C)C 2331762599 SHLFTRMDQVPJGJ-UHFFFAOYSA-N 428.956 6.512 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)C(C)(C)C)c(OC)c2)cc1Cl 2331815032 XPDYOLKLWNODLG-UHFFFAOYSA-N 437.319 5.858 30 10 IKEE CSCCCC(=O)Oc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1Cl 2331860173 SIMPUBNOFBIZID-UHFFFAOYSA-N 443.779 6.592 30 10 IKEE C=C1C[C@H](OC(=O)c2ccccc2)[C@@H]2[C@](C)(CO)CCC[C@]2(C)[C@H]1CCC(C)=CCO 2333186702 WGSYIFPPMZUQAN-JEDUSWOHSA-N 426.597 5.312 30 10 IKEE CC1(C)CC(CSCc2ccc(B3OC(C)(C)C(C)(C)O3)c(Br)c2)C1 2349809005 MWCZCIDTDWNFJM-UHFFFAOYSA-N 425.241 5.418 30 10 IKEE CO[C@@]1(C)C[C@@H]2C[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2356218494 GMXXBEKTNRBMBK-LATRNWQMSA-N 435.362 5.288 30 10 IKEE Cc1cc(CSCc2ccc(Br)cc2)ccc1B1OC(C)(C)C(C)(C)O1 2369726999 JXSAVSXNPPXNCL-UHFFFAOYSA-N 433.220 5.490 30 10 IKEE C[C@@H](c1cccs1)N(Cc1ccccc1)Cc1ccc(C#CCO)c(Br)c1 2377436829 JIKLVDZGMOSLFO-SFHVURJKSA-N 440.406 5.618 30 10 IKEE CSc1cc(Oc2cc(NC(=O)OC(C)(C)C)c(C)cc2Br)ccc1C#N 2382181415 RHDFXARWQRPKJP-UHFFFAOYSA-N 449.370 6.490 30 10 IKEE C=CCn1c(SCCCOc2ccccc2)nc2scc(-c3ccc(C)cc3)c2c1=O 8950551 CQVKKNTVIHVVKO-UHFFFAOYSA-N 448.613 6.181 30 10 IKEE C[C@@H](C#N)Sc1nnc(-c2cc(-c3ccccc3)nc3ccccc23)n1-c1ccccc1 9395430 BOFNDNKHCOQHSD-SFHVURJKSA-N 433.540 6.154 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1nc3ccccc3n1[C@H]2c1cccc(F)c1Br 9495996 BUCZZPGFJTTWJZ-FQEVSTJZSA-N 440.316 5.596 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(-c3ccccc3)c1[C@@H]2c1ccc(Br)cc1 9597505 LMXNIIPRPXQZDN-LJQANCHMSA-N 448.364 6.040 30 10 IKEE COc1ccc(-c2nc3n(n2)[C@H](c2ccccc2Cl)C2=C(CC(C)(C)CC2=O)N3)cc1 9731751 PICFJCZRKKWVTR-OAQYLSRUSA-N 434.927 5.265 30 10 IKEE Cc1ccc(NC2=C/C(=N\S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3C2=O)cc1 11616106 ZLDXHGPVIOWJRQ-YYADALCUSA-N 436.920 5.019 30 10 IKEE C=CCN(C(=O)[C@@H](C)Oc1ccccc1-c1nnc(-c2ccccc2)o1)c1ccccc1 15733517 MVQSRWDLEALRBD-LJQANCHMSA-N 425.488 5.390 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)S/C1=N\c1ccc(O)cc1C(=O)O 16927027 BFOYLUVLRWXRTR-YOSYJNDJSA-N 449.315 5.187 30 10 IKEE Cc1ccc(N/C=C2/C(=O)c3ccccc3N(Cc3ccc(Cl)cc3)S2(=O)=O)cc1 20558944 HUIRGLOPJCPRTO-HMAPJEAMSA-N 438.936 5.135 30 10 IKEE Cc1ccccc1CSc1nc2n(n1)[C@H](c1ccc(F)cc1)C1=C(CC(C)(C)CC1=O)N2 20849996 JUKDLBOOVVEHSI-JOCHJYFZSA-N 448.567 5.676 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2)cc1OC 21234606 NJEIRUGYKXUSIN-PIIWDFAUSA-N 440.543 6.073 30 10 IKEE COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccs2)c1 21243281 SMQIPNMZWQUPAQ-MQNRADLISA-N 432.545 5.745 30 10 IKEE COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)cc1 21244101 SVZADJPLPLXSFD-QUGAMOGWSA-N 430.935 6.328 30 10 IKEE COc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OC(C)C)cc2)C3)cc1Cl 21250175 URJXNFSEYIBCJL-HKUYNNGSSA-N 439.939 5.140 30 10 IKEE C/C(=N/Nc1c(Cl)cc(Cl)cc1Cl)c1ccc2c(c1)Nc1ccccc1S2 33695168 VHUDYSIBBJUJLG-GATIEOLUSA-N 434.779 7.691 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1 34954057 JGLBERMYFSAIDL-SWGQDTFXSA-N 427.283 6.117 30 10 IKEE Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1Nc1ncnc(N(C)C)c1N 40688634 QFHSIRBXRSHDEC-MRXNPFEDSA-N 427.339 5.139 30 10 IKEE COc1ccc2c(c1)c(/C=C1\Oc3cc(OCc4ccccc4C)cc(C)c3C1=O)cn2C 41433148 GASMYXDXVMFBAD-ZRGSRPPYSA-N 439.511 5.999 30 10 IKEE CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@@H]2c1ccc(Cc2ccccc2)cc1 59461907 GCPUYOSAHPNVLG-IXCJQBJRSA-N 445.562 6.320 30 10 IKEE CCOc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(F)cc1 59535993 FJRNGQCLICRDAM-DHRITJCHSA-N 443.862 5.811 30 10 IKEE COCCc1nc2sc(C)c(-c3ccc(C)c(C)c3)c2c(=O)n1Cc1cccc(C#N)c1 96528198 ACXSSUVRIIBZCG-UHFFFAOYSA-N 443.572 5.159 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)S/C1=N/c1ccccn1 101124071 NSKRMJINOBNDSP-KRDYEMGESA-N 444.343 6.272 30 10 IKEE CCCCCn1c(O)c(/N=N/c2ccc(/N=N\c3ccccc3)cc2)c(C)c(C#N)c1=O 101146187 RNWCYENZAVCPOC-KVZOUHTRSA-N 428.496 6.755 30 10 IKEE CCCCCCCCCn1c([C@H]2CC(=O)N(c3ccccc3Cl)C2)nc2ccccc21 101325200 HPZAMCVUUOMNCE-FQEVSTJZSA-N 438.015 6.961 30 10 IKEE CCCCCCCCCCn1c([C@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)nc2ccccc21 102206576 DSELEWUTXKXLJA-DEOSSOPVSA-N 445.651 7.314 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OC(=O)/C=C\c4ccccc4)ccc3C2=O)c2ccccc21 102738728 RJCNDIUKZRXYMB-YIYCFAGGSA-N 435.479 5.896 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2cccc(F)c2)c1 169928905 WTJTULZSQPNVDK-NRFANRHFSA-N 437.854 5.271 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(N(C)C)cc2)cc1 169953283 KTFRWYMXYJQQCQ-DEOSSOPVSA-N 426.516 5.098 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2c2ccccc2)cc1 170029202 JCFONICTMINDPF-QHCPKHFHSA-N 447.462 5.016 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2sccc2C)cc1 170105774 QLRIZGDNPVXNJD-OAQYLSRUSA-N 433.529 5.410 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@H]1c1ccc(O)cc1 170136689 RXQJZBOLUSVSAN-JOCHJYFZSA-N 437.536 5.077 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccc(C)c2)cc1 170140632 DZBDQUIFXZLHFE-XMMPIXPASA-N 445.490 5.706 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc(C)c2)cc1C 170145481 PXFXNLQLVAKZPH-DEOSSOPVSA-N 433.548 5.613 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccccn2)cc1 170175558 ILGMTTMDOGYYLZ-XMMPIXPASA-N 442.515 5.270 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1ccc(OCC)cc1 170214131 VMTCIOZSGLLVDL-NRFANRHFSA-N 439.895 5.473 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccc(Cl)cc1 170236826 INRGSJZNLZJMPM-NYHFZMIOSA-N 439.939 5.432 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccco2)cc1C(C)(C)C 170287498 MTIGJXLWBJKHSY-QHCPKHFHSA-N 445.515 5.677 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2sccc2C)cc1OC 170405511 URAPMKDKZDEBSQ-OAQYLSRUSA-N 449.528 5.165 30 10 IKEE C[C@@]12CC[C@@H]3[C@@H](CC[C@@H]4CCCC[C@]43C)[C@@H]1CC/C2=N\N=C\c1ccccc1C(F)(F)F 253563315 FHIHDASURXFVSB-YXCODTGLSA-N 444.585 7.913 30 10 IKEE CCN(CC)CCn1c(N=Cc2ccc(OCc3ccccc3)cc2)nc2ccccc21 254870327 UZOZUMDLTHUBSP-UHFFFAOYSA-N 426.564 5.708 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1cccc(OC)c1OC 526809560 NYDYKFHOZXIFCD-MYYYXRDXSA-N 438.597 5.429 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(Cc2ccccc2)n1/N=C\c1cccs1 526817726 AFGNNCAPEBRPDG-CFRMEGHHSA-N 442.972 5.897 30 10 IKEE Oc1ccc(/C=N\n2cnnc2SCc2cccc3ccccc23)cc1Br 526819796 DNIWUQNIVIQDHC-KSEXSDGBSA-N 439.338 5.074 30 10 IKEE C=CCN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(CCCCCC)cc1 586180296 CKABOLHGKMMKBT-UHFFFAOYSA-N 439.543 6.205 30 10 IKEE CCc1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2cc(C)c(C)cc2OC)cc1 586214383 CGYQKTHVPWNXDI-UHFFFAOYSA-N 434.561 5.142 30 10 IKEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2ccc(Br)c(C)c2)cc1 586711898 TUDGWCSBCXUXOC-UHFFFAOYSA-N 428.330 5.216 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCc2cc(Cl)ccc21 698453221 FCUNSQAOIXIDRU-NRFANRHFSA-N 447.760 6.209 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCC[C@@H](C(F)(F)F)C1 698491648 ZUWVOATXCRGKGA-FZKQIMNGSA-N 447.295 6.205 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@H](C#N)c1ccc(Cl)cc1Br 698830741 XGLBKXXMPGQRKP-SFHVURJKSA-N 441.797 6.627 30 10 IKEE O=C(CSc1nc2ccc(N=Cc3c(O)ccc4ccccc34)cc2s1)NC1CC1 1084272578 ZKKKYNIELODCBO-UHFFFAOYSA-N 433.558 5.276 30 10 IKEE Cc1ccccc1/C=C1\S/C(=N\N=C/C=C/c2ccccc2)N(Cc2ccco2)C1=O 1554646340 CTUFJOPURQYXAN-ZCEOWAQWSA-N 427.529 5.760 30 10 IKEE CC(/C=N/N=C1/S/C(=C/c2ccccc2C)C(=O)N1Cc1ccco1)=C\c1ccccc1 1615304831 YBZVHAPSXKDDKT-AJMUIMATSA-N 441.556 6.150 30 10 IKEE Cc1c(C(=O)Nc2ccccc2[N+](=O)[O-])oc2c1C(=NNc1ccccc1)CC(C)(C)C2 1772729185 ILLVJJDHERAXRM-UHFFFAOYSA-N 432.480 5.537 30 10 IKEE Cc1csc(N=C2S/C(=C/c3ccc(Cl)cc3Cl)C(=O)N2c2ccccc2)n1 1772737824 MAAJMTSMOHWQGI-GMFWLFBISA-N 446.384 6.567 30 10 IKEE Cc1c(N=Nc2ccc(-c3ccccc3)cc2)c(O)n([C@H](C)c2ccccc2)c(=O)c1C#N 1772740816 IYJOYOJWJQONIZ-LJQANCHMSA-N 434.499 6.426 30 10 IKEE COc1ccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)nn2Cc2ccc(Cl)cc2)cc1 1859399458 QCLZEEZWPPEUJX-UHFFFAOYSA-N 442.906 5.384 30 10 IKEE CCOc1ccc(/C=C/C(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OCC 1860728588 GYCFPHUYXPWQLP-WEVVVXLNSA-N 441.833 5.377 30 10 IKEE CCN(CC)c1ccc(NC(=O)C(=O)/C=C/c2cccc(OCc3ccccc3)c2)cc1 1860729490 IWLNFICCCMGOLC-QGOAFFKASA-N 428.532 5.333 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(OCCC)cc1 1862386441 NKQUEQRXBOPEDY-HXUWFJFHSA-N 446.330 5.547 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1cccc2ccccc12 1862404311 AECPUYRUCLYPPH-VWLOTQADSA-N 443.543 5.925 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(F)cc2F)=C(O)C(=O)N1CCc1cccs1 1862411923 RILNQZVDGVEDBW-OAQYLSRUSA-N 439.483 5.156 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCc2cccs2)cc1 1862412908 QBOMKVHNDKGWLE-NRFANRHFSA-N 439.483 5.156 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)cc1 1862413161 XDWGTOKQNPWDRN-RBQRDFNRSA-N 425.475 5.430 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc(F)c1 1862431095 ZJZMMPUBWOAHGB-YFZFPPMRSA-N 427.903 5.636 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1c(F)cccc1Cl 1862435008 MAARFRKELJGVLE-IBGZPJMESA-N 436.310 5.757 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cccc2ccccc12)c1cccc(Cl)c1 1862449290 ICCZBMTUDDXWHX-HSZRJFAPSA-N 431.919 6.014 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccccc2Cl)cc1 1862476055 AIUQAWVXXSRPJZ-QHCPKHFHSA-N 449.909 5.609 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1c(Cl)cccc1Cl 1862498388 HGHFMVNGEJWFGK-JLTOFOAXSA-N 432.347 5.987 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc3c(c2)CCCN3C)c1 1862498529 KJKWSCGNCKANLT-VWLOTQADSA-N 444.575 5.207 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862666385 CIHBERAOPNZJAD-KOSHJBKYSA-N 433.592 6.484 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862680200 WGIQJMCCHZAFFS-IBGZPJMESA-N 436.310 5.901 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccc1[N+](=O)[O-] 1862717314 AIXDZYSPHIVLRF-HSZRJFAPSA-N 444.487 5.517 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2ccccc2c1 1862719925 SWISAMJGTCBVBA-OAQYLSRUSA-N 448.862 5.142 30 10 IKEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccccc2)cc1 1862730734 DHPLSZGOJIVVAR-RUZDIDTESA-N 449.591 6.270 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(OCC)cc2)C1=O 1863216544 QVWXQASIIVZNJO-OAQYLSRUSA-N 445.563 5.508 30 10 IKEE N#Cc1ccccc1NC1=C(c2cccc3ccccc23)C(=O)N(C2CCCCCC2)C1=O 1863230416 CPFOKEQMCHTQGB-UHFFFAOYSA-N 435.527 5.626 30 10 IKEE CCc1ccc(CCC(=O)Nc2c(Br)cc(C#N)cc2Br)cc1 1865966760 NHMIQAGFFQOEQP-UHFFFAOYSA-N 436.147 5.217 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](CCCC)NC(=O)C[C@H](c1ccccc1)c1cccc(F)c1 1868722712 CLYPAOSHDWROMT-JWQCQUIFSA-N 436.571 5.223 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](NC(=O)c1ccc(-c2cc3ccccc3[nH]2)cc1)c1ccccc1 1868912511 LDGBXIZUFIHQGY-HHHXNRCGSA-N 449.554 5.507 30 10 IKEE CCCCCCCCCCn1cc(OCCCCOc2cccc(C)c2)c(=O)cc1C 1870087665 CLYXSYFVGQISOP-UHFFFAOYSA-N 427.629 6.844 30 10 IKEE CCCCCCCOc1cn(CCc2c[nH]c3ccccc23)c(CSC(C)C)cc1=O 1870251460 KQIQVLKUVWVGIU-UHFFFAOYSA-N 440.653 6.563 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(CC)cc2)cn1Cc1cccc(C)c1 1870464813 ZMPPJMMDEIOQHA-UHFFFAOYSA-N 442.603 5.520 30 10 IKEE CCCCCCCOc1cn(C[C@H]2CCCO2)c(CNc2cccc(N(C)C)c2)cc1=O 1870833901 ZDLAKQAEPGUWSU-XMMPIXPASA-N 441.616 5.055 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(OC)cc2)c(CNc2ccccc2C)cc1=O 1870838379 APTBMFOHJNXCTH-UHFFFAOYSA-N 448.607 6.175 30 10 IKEE C=CCn1cc(OCCOc2ccccc2)c(=O)cc1CNc1cccc(C(F)(F)F)c1 1871046089 OHAIGBPSCJUOSF-UHFFFAOYSA-N 444.453 5.123 30 10 IKEE CCCCCCCCn1cc(OCCCC)c(=O)cc1CNc1ccc2c(c1)OCO2 1871111171 WIJATWZWVMQDCT-UHFFFAOYSA-N 428.573 5.729 30 10 IKEE CCc1ccccc1NCc1cc(=O)c(OCc2ccc(C#N)cc2)cn1Cc1ccccc1 1871251887 AZXCQFMUZPLMKQ-UHFFFAOYSA-N 449.554 5.522 30 10 IKEE Cc1ccsc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(CCOc1ccccc1)C3 1871346566 MMDVNELDJLXSPH-BKUYFWCQSA-N 433.529 5.212 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc4c3CN(CCC3=CCCCC3)CO4)C2=O)cc1 1871349885 ZTLSWIWLAQDTGQ-XYGWBWBKSA-N 431.532 5.744 30 10 IKEE CCc1ccc([C@@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2ccc(OC)cc2)C4=O)cc1 1871353981 CUPRBEXYJJIDHM-WTTSBOSASA-N 441.527 5.787 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc3C2=O)c1 1871372877 PSDNHYBVCRKPOC-FBHDLOMBSA-N 435.819 5.392 30 10 IKEE Cc1cc(C)c(COc2ccc3c(c2C)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)cc1C 1871423201 OPRQFGXZYFRCHM-YUMHPJSZSA-N 440.583 7.413 30 10 IKEE Cc1ccc(NC(=O)CCOc2cc(C)c3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 1871430831 GSSTXTLXDVYRDB-UCQKPKSFSA-N 431.463 5.466 30 10 IKEE COC(=O)c1ccc(COc2ccc3c(c2C)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)o1 1871438867 VYCDALNAGAKLKO-UCQKPKSFSA-N 446.499 5.867 30 10 IKEE COc1ccc(C)cc1NC(=O)CCOc1cc(C)c2c(c1)O/C(=C\c1ccccc1)C2=O 1871446323 IUGYFFOOHVKIPK-IWIPYMOSSA-N 443.499 5.336 30 10 IKEE COc1ccccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O 1871459002 KDFRGUPFWBVCFS-UUYOSTAYSA-N 449.890 5.291 30 10 IKEE Cc1cc(C)c(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2cccs2)C3=O)c(C)c1 1871459445 ZBCYAVMXDRYEOV-MTJSOVHGSA-N 433.529 5.615 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 1871875160 CPZWJXBXXNHZCT-NRFANRHFSA-N 434.989 5.023 30 10 IKEE N#C[C@H](C(=O)CCCOc1ccc(Cl)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1872759957 DLSTYLDQCSZHNL-GOSISDBHSA-N 441.896 5.407 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3Cl)n2)c(OCC)c1 1872784908 ZWNOXHPVWPOWKV-KRWDZBQOSA-N 426.925 5.751 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@@H](C#N)C(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 1872788650 NFSSDHNGNUHVKW-HNNXBMFYSA-N 427.869 5.179 30 10 IKEE CCOc1ccccc1NC(=O)c1cccc(CSc2nc(C)c(C)c(C)c2C#N)c1 1872893166 KMJJVSOMSFNCLK-UHFFFAOYSA-N 431.561 5.822 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2F)C(=O)N([C@@H]2CCCC[C@H]2C)C1=O 1873029526 KTJVJFSKFLXSPU-NFBKMPQASA-N 442.619 6.215 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(F)c(Cl)c2)cc2c(NCc3ccccc3)ncnc21 1873608970 SHGNOHRHFYECRE-UHFFFAOYSA-N 435.890 5.274 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2Cl)n1/N=C/c1cccc([N+](=O)[O-])c1 1874279033 PNPKLFRVJCQOAD-YDZHTSKRSA-N 441.944 5.175 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2ccccc2)cc1 1874301931 YLOSYGBLAOWHQW-OVVQPSECSA-N 442.588 5.751 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2ccccc2O)cc1 1874349072 SVWORVDXCGDSBY-WGOQTCKBSA-N 444.560 5.066 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(F)cc1 1874361428 UGFJZLZWZRSJLV-LQKURTRISA-N 448.542 5.824 30 10 IKEE Cc1ccccc1CCc1nnc(SCCc2ccccc2)n1/N=C/c1cccs1 1874362374 BHDJCRGLSOFKOH-XIEYBQDHSA-N 432.618 5.650 30 10 IKEE Cc1ccsc1/C=N/n1c(Cc2ccccc2F)nnc1SCc1ccccc1F 1874375703 JGHDXMQWQWMTCW-DHRITJCHSA-N 440.544 5.692 30 10 IKEE Clc1ccc(CSc2nnc(COc3ccccc3)n2/N=C/c2cccnc2)cc1 1874385399 NJDSFSQUGPIITJ-AFUMVMLFSA-N 435.940 5.080 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2cccs2)n1/N=C/c1c[nH]c2ccccc12 1874411199 WSIPMHYCYBYKKH-CVKSISIWSA-N 443.601 5.895 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2/N=C/c2ccccc2C)cc1 1874421833 GQOLAAMCQILJTA-ZVHZXABRSA-N 447.589 5.236 30 10 IKEE C=CCSc1nnc(C(C)C)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874514221 NPYKZNOEJOYFNK-ZVHZXABRSA-N 426.973 5.794 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C)n2/N=C/c2cc(Br)ccc2F)c1 1874531514 NHEJILQZKUZSRN-LSHDLFTRSA-N 433.350 5.279 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(CC)cc2)o1 1874572398 LFJFBCGROLKULT-FMIVXFBMSA-N 438.907 6.147 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccc(Cl)cc1 1874606234 DHGZAFGKKYPZAT-ONNFQVAWSA-N 447.745 7.131 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Cl)c1OCc1ccc(Cl)cc1 1874608778 HEQMTLPVCFGNGK-DHZHZOJOSA-N 447.745 7.131 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)OCC(C)C)c(Br)c2)c(C)c1 1874617852 WPRPXEMRBJQJGL-RMKNXTFCSA-N 445.353 5.540 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)c1 1874618207 PBBNBIXILGSPMP-RMKNXTFCSA-N 445.773 7.739 30 10 IKEE C=CCOc1c(OCC)cc(/C=C/C(=O)c2cc(OC)c(Cl)cc2OC)cc1[N+](=O)[O-] 1874630907 AEYFUZDMAKDFDW-BQYQJAHWSA-N 447.871 5.125 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccccc3Cl)c2)cc1 1874695763 QOMLVFTVPJVJFC-SAPNQHFASA-N 432.947 6.727 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2ccccc2Cl)cc1OC(=O)C(C)C 1874696536 FTNUZDUUPZRAHJ-CMDGGOBGSA-N 437.717 5.569 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2ccccc2Cl)cc1OC(=O)C1CCC1 1874697288 ZHHSRLKBBFUOJH-MDZDMXLPSA-N 449.728 5.713 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2cccc(/C=C/C(=O)c3cc(C)ccc3C)c2)c1 1874703605 XOZCIAFCBJTQSN-ZRDIBKRKSA-N 430.500 5.365 30 10 IKEE COc1cc(C(=O)/C=C/c2cccc(OC(=O)c3sccc3C)c2)c(OC)cc1Cl 1874712461 XALMLODMCBBNIS-BQYQJAHWSA-N 442.920 5.842 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(F)c(F)c3)c2)c2ccccc12 1874718856 ZQTBVEVWZPPYGJ-UKTHLTGXSA-N 444.433 6.242 30 10 IKEE C=CCN(CC=C)CCC(=O)c1cccc(NC(=O)CCCOc2ccccc2C(C)C)c1 1874728297 VCLUPCKMBLJWHA-UHFFFAOYSA-N 448.607 5.855 30 10 IKEE CCCCCCCCC(=O)N1[C@H](C)CSc2nnc(CCCOc3ccccc3C)n21 1875064246 YDEXMEGKBBOLIB-HXUWFJFHSA-N 444.645 5.308 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc(C)cc(C)c3)c(Cl)c2)cc1C 1875108373 LYEIMIIGKJOZND-VMPITWQZSA-N 434.919 6.389 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(OC)c(OC(=O)c2cc(C)cc(C)c2)c(OC)c1 1875118807 PVUDUXONCATLMJ-ZHACJKMWSA-N 446.499 5.445 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Br)c(OC(=O)C2CCC2)c(OC)c1 1875119281 MOFZLEUYYYLOGC-ZHACJKMWSA-N 445.309 5.068 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(OCCC)cc2)cc1OCC 1875138758 VWPUUDNFYRAMLK-NTEUORMPSA-N 444.955 6.519 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3OC)cc2OC)cc1 1875143996 AWVJYKVCIVUHFE-WUXMJOGZSA-N 432.472 5.136 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2)cc1 1875150690 ZZFDNMKTXKNZIH-RIYZIHGNSA-N 444.483 5.384 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1F 1875151981 BXIRUSLHSNWMPJ-ONNFQVAWSA-N 445.273 6.256 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2cccc(F)c2)cc1 1875167789 JXLDTXCELSOTFO-JXMROGBWSA-N 445.273 6.256 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1cccc(Cl)c1 1875176292 AMKHSDGMEWKRFE-FMIVXFBMSA-N 434.919 6.471 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc([N+](=O)[O-])c1OC(=O)C(C)C 1875193340 FDELXNRAGQMSAJ-SOFGYWHQSA-N 447.871 5.113 30 10 IKEE O=C(CC#CC1CCCCC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875648501 AXMHDIIDJVHRJC-UHFFFAOYSA-N 438.567 7.001 30 10 IKEE O=C(NCCOc1cccc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1889920290 HHJWVHCOHOOOSY-UHFFFAOYSA-N 445.281 5.552 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC[C@@]2(C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)C1 1944433425 WXJZWSWCWTXTLE-XAEMIUIASA-N 447.601 5.024 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCC[C@]12CCN(C(=O)OC(C)(C)C)C2 1950304937 IIRVWFWEWKZYFD-GLYQVZKVSA-N 435.609 5.486 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@](C)(C#N)[C@]1(C)CCN1C(=O)OC(C)(C)C 1999895395 AZCAWXAPMFAEFW-XZOQPEGZSA-N 449.979 5.763 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCC1)[C@@H](C#N)[C@]1(C)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2022145412 RRSUUCQQXMMMFT-UUOWRZLLSA-N 435.609 5.484 30 10 IKEE N#CCCN1N=C(c2ccccc2)C(=Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1=O 2040470335 UJFLGJUBFUBWQV-UHFFFAOYSA-N 443.510 5.083 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2070600089 LXWPNTDSXCDWNX-UQBPGWFLSA-N 449.636 5.876 30 10 IKEE CCOC(=O)c1c(C(F)(F)F)nn([C@H](C)c2ccc(C(F)(F)F)cc2F)c1Cl 2079972431 UYZINDIGZWHACL-SSDOTTSWSA-N 432.723 5.499 30 10 IKEE CC(C)(C)[C@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C2CC2)c(C#N)c1Br 2079983496 DXVRGWYHBBBFQH-INIZCTEOSA-N 444.270 6.188 30 10 IKEE CCc1nn([C@H](c2ccc(C(F)(F)F)cc2)C(C)C)c(I)c1C#N 2080053055 RHZCURFVRBQVQM-HNNXBMFYSA-N 447.242 5.186 30 10 IKEE N#C[C@H](Nc1ccc(Br)cc1)c1c(Br)cccc1Br 2094994226 DZTRNHLMNLOFSC-ZDUSSCGKSA-N 444.952 5.651 30 10 IKEE C#CCCN1CC[C@@H](NCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1 2139226810 WSVCFTYYHOJVEZ-HHHXNRCGSA-N 440.587 5.032 30 10 IKEE C[C@H]1CCCN(c2cccc(Br)c2C#N)[C@H]1CCCNC(=O)OC(C)(C)C 2174807914 IBZVXNABKBRNHU-YJBOKZPZSA-N 436.394 5.231 30 10 IKEE C#CC[C@@H](C[C@@H](NCC)c1cc(I)ccc1Br)C1CC1 2196856975 IMETXLAUKUQOEH-SUMWQHHRSA-N 446.170 5.144 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)cc(F)cc1Br 2225599232 GPPYAOJGUPXTST-WBVHZDCISA-N 433.337 5.237 30 10 IKEE CCCC[C@@H](NC(=O)OC(C)(C)C)[C@H](C#Cc1ccccc1Br)NCCC 2235730244 OALVNNXBEOFJCX-VQTJNVASSA-N 437.422 5.252 30 10 IKEE C=C(C)CCCC[C@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2250186281 YMJWMTIBEDXLQW-XWGVYQGASA-N 432.649 5.990 30 10 IKEE CCCN[C@H](CC#CC1CCCC1)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2261099661 GHBPBTWMLHJWCN-JWQCQUIFSA-N 442.644 5.439 30 10 IKEE C=CCCC1([C@@H](N)Cc2cc(Cl)cc(Br)c2)CN(C(=O)OC(C)(C)C)C1 2266314089 ALBRPXTTWXTKHX-KRWDZBQOSA-N 443.813 5.176 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(C#N)cc2Br)C[C@H]1C(F)(F)F 2279227041 DZYPEJHFQZHXTR-DOMZBBRYSA-N 448.283 5.063 30 10 IKEE CCC[C@H](CCNC(=O)OC(C)(C)C)CCC(=O)C#Cc1ccc(Br)cc1 2296223861 DUBZSEIBAZHHCD-KRWDZBQOSA-N 436.390 5.481 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)C[C@@H](C)CCNC(=O)OC(C)(C)C 2296310610 LPXYIGYLDZCUID-FXAWDEMLSA-N 437.422 5.110 30 10 IKEE Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=S)Nc2ccc(C)c(C)c2)cc1 2296405294 VZIQRVHPIJTRHG-UHFFFAOYSA-N 439.588 5.785 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)CSc2n[nH]c(NN=CC=Cc3ccccc3)n2)cc1 2313601767 OFVPVLZWFHBXQU-KRWDZBQOSA-N 434.569 5.160 30 10 IKEE O=C1C(=Cc2ccc(Br)cc2)Oc2cc(OCc3ccccc3F)ccc21 2314437258 HHCJRSPGQAUQGZ-UHFFFAOYSA-N 425.253 5.783 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3)n2N=Cc2ccccc2C)c1 2318571733 RDILFPXAFUDCBY-UHFFFAOYSA-N 426.589 5.969 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2321307857 HRAVUSKTUCLIAW-OALUTQOASA-N 445.535 5.249 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]2C)cc1 2321322561 UGAMMMFVDBSVAO-RRQZXNHTSA-N 443.588 5.664 30 10 IKEE CCCCOc1ccc(C=Nn2cnnc2SCc2c(F)cccc2Cl)cc1OC 2321347698 JVDNBDMEOGOBRU-UHFFFAOYSA-N 448.951 5.433 30 10 IKEE Cc1ccc(COc2ccc3c(c2C)OC(=Cc2cccc(Br)c2)C3=O)cc1 2321745695 JZZPNXVTQPTGIA-UHFFFAOYSA-N 435.317 6.261 30 10 IKEE Sc1nnc(C2CCCCC2)n1N=Cc1cccc(OCc2cccc(Cl)c2)c1 2321889941 IUWFRWYAYCFXMD-UHFFFAOYSA-N 426.973 5.729 30 10 IKEE CC(C)(C)c1ccc(OCCCc2nnc(S)n2N=Cc2c(F)cccc2Cl)cc1 2322278334 LCBHVRSCKZEECV-UHFFFAOYSA-N 446.979 5.551 30 10 IKEE O=C(C=Cc1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)cc1 2322288790 FAISWSGQFFIMRM-UHFFFAOYSA-N 435.479 6.737 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccc(C)cc2C)cc1OC 2322341288 VBMBOXBTLACEDV-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1 2322737815 VBXPWDPGWYOXBC-UHFFFAOYSA-N 425.355 7.592 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)c4ccc5c(c4)OCO5)cc(C)c3C2=O)cc1 2322775630 HAJHEVFEOIZPJR-UHFFFAOYSA-N 428.440 5.122 30 10 IKEE Cc1c(OC(=O)CCCOc2ccccc2)ccc2c1OC(=Cc1cccc(F)c1)C2=O 2323178280 HCXVYBWHZSELNU-UHFFFAOYSA-N 432.447 5.515 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OCC(=O)Nc1ccccc1C 2323203662 RWVRSMVGWWFJPQ-UHFFFAOYSA-N 443.543 6.041 30 10 IKEE CCCCCCCCCOc1ccc(C=NNc2nc(C)c(C)c(O)n2)cc1OCC 2323240350 SEWMRTPNLYHIMF-UHFFFAOYSA-N 428.577 5.773 30 10 IKEE C[C@H](NC(=O)COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1)c1ccccc1 2323419519 PASLJNZLZHWKPR-NRFANRHFSA-N 439.555 5.718 30 10 IKEE Cc1cc(OC(=O)c2cc(Cl)ccc2Cl)cc2c1C(=O)C(=Cc1cccc(F)c1)O2 2323582847 VSOJNKJBGKICKW-UHFFFAOYSA-N 443.257 6.276 30 10 IKEE C=C(C)COc1c(Br)cc(C=CC(=O)c2cc(C)ccc2C)cc1OCC 2323959577 NDDHLYIKMVBWPO-UHFFFAOYSA-N 429.354 6.316 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(OC)c(OCc2cc(C)ccc2C)c(OC)c1 2323992210 DDRVWFRLIHWOGL-UHFFFAOYSA-N 446.543 6.113 30 10 IKEE C=CCOc1c(Br)cc(C=CC(=O)c2cc(C)ccc2OC)cc1OCC 2324010041 QLHVGSJUHCXMPN-UHFFFAOYSA-N 431.326 5.626 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2cc(Br)c(OC)c(OCC)c2)c1 2324398465 OTBMOKLEPNRPQA-UHFFFAOYSA-N 449.341 5.550 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4cc(Cl)ccc4C)ccc3C2=O)cc1 2324510290 LHIGFULTRUYDQX-QGZVFWFLSA-N 447.918 5.979 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(C)c1 2324545430 JVFLPBWENCVLRS-UHFFFAOYSA-N 425.355 7.394 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc(OCCOc3ccc(OC)cc3)c2C)C1=O 2324683546 WBVGLRKVNXPOPC-UHFFFAOYSA-N 446.499 5.476 30 10 IKEE CCCc1nnc(SCc2cccc(F)c2)n1N=Cc1cccc(Br)c1 2325548643 BOZXBPZGMOCVIC-UHFFFAOYSA-N 433.350 5.307 30 10 IKEE CCCOc1ccc(C=CC(=O)C(=O)Nc2ccccc2Oc2ccccc2)cc1OC 2325649230 YHBIWXRYCAIIHQ-UHFFFAOYSA-N 431.488 5.497 30 10 IKEE COc1cccc(COc2ccc3c(c2C)OC(=Cc2ccc(Cl)cc2Cl)C3=O)c1 2325699616 HTASKAIPHBAZON-UHFFFAOYSA-N 441.310 6.506 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)COCc3ccccc3)c2)cc1 2325734205 RAEPITRLVAJIDV-UHFFFAOYSA-N 446.499 5.112 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(Cl)c(Cl)c3)c2)cc1 2325737097 ISHZDRKVGKINMD-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(Cl)c(Cl)c3)c2)c1 2325740349 JSIKKRDDTZISBR-UHFFFAOYSA-N 439.338 6.654 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1cccc(C=CC(=O)c2cc(C)cc(C)c2OC)c1 2325757578 ZIXKZDZTLRRVRV-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC)c3ccccc23)cc1OC(=O)c1ccccc1 2325775708 WVQKCGLGCLEQHT-UHFFFAOYSA-N 438.479 5.972 30 10 IKEE COc1ccc(OCc2nnc(SC)n2N=Cc2cccc(Cl)c2)c(C(C)(C)C)c1 2325815882 CNDMOEFVYUSMDN-UHFFFAOYSA-N 444.988 5.421 30 10 IKEE CCCSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1ccccc1C 2325913528 CZZWNLODXNDQFI-UHFFFAOYSA-N 435.380 5.857 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(OC)c(OC(C)C)c1 2326272535 RZNZTPYETRCLKW-UHFFFAOYSA-N 442.560 5.340 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1ccc(N(C)C)cc1 2326338395 KHKXBKAGDALPPS-UHFFFAOYSA-N 449.624 5.078 30 10 IKEE CCCOc1cc(C=Nn2cnnc2SCc2c(F)cccc2Cl)ccc1OC 2326567508 GXXXQWHYNIOUKJ-UHFFFAOYSA-N 434.924 5.043 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccccc1C(=O)O 2326705739 BTKIUMIBIOLOIQ-UHFFFAOYSA-N 435.336 5.020 30 10 IKEE C=CCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1cc(OC)ccc1OC 2327771857 USSZXXLRNOWJSZ-UHFFFAOYSA-N 444.560 5.200 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1cccc2ccccc12 2328179675 YTRJRQVRSWVVBZ-UHFFFAOYSA-N 432.637 7.056 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2ccc(F)cc2)n1N=Cc1cccnc1 2328551107 TVDBHOQBZRTHQH-UHFFFAOYSA-N 447.539 5.183 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CCOc2ccccc2)nnc1SCC(=C)C 2329190024 DIJZZWSOQGSVHN-UHFFFAOYSA-N 434.565 5.015 30 10 IKEE C=C(C)CSc1nnc(Cc2cccs2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2330377085 IZJAEAIAHAIIPS-UHFFFAOYSA-N 433.946 5.042 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3ccccc3F)nnc2-c2cccs2)c1 2330583560 IJSOMXQZWDAJCR-UHFFFAOYSA-N 438.553 5.719 30 10 IKEE C=CCSc1nnc(-c2cccs2)n1N=Cc1ccc(OCc2ccc(C)cc2)cc1 2330591951 IWSMCWWCOPDAAF-UHFFFAOYSA-N 446.601 6.054 30 10 IKEE COc1ccccc1C=Nn1c(SCc2cc(C)ccc2C)nnc1-c1ccccc1 2330672246 QZHPDEXDBLLNTG-UHFFFAOYSA-N 428.561 5.745 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)CCCC4)cc2)cc1 2330678517 DMOVKJHGUGJGSM-UHFFFAOYSA-N 440.495 5.606 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3sccc3C)c(OC)c2)cc1 2330742570 TXAZRVIPARJDLC-UHFFFAOYSA-N 436.529 5.751 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Br)cc2)ccc1OC(=O)c1ccco1 2330893025 GNXUARDXPGHXQG-UHFFFAOYSA-N 441.277 5.556 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)cc1 2330951970 IIYUYPYZHDZGMD-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(-c3ccccc3)cc2)cc1)c1cccc(Cl)c1 2331116377 UTVBBPZCKNKRIH-UHFFFAOYSA-N 438.910 7.122 30 10 IKEE COc1ccc(CC(=O)Oc2c(Cl)cc(C=CC(=O)c3ccccc3)cc2OC)cc1 2331158228 PPTUIXQUQBGREQ-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1ccc(C=CC(=O)c2ccccc2)cc1[N+](=O)[O-] 2331170248 JNQQJBYEINTKJW-UHFFFAOYSA-N 437.451 5.792 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(SCCc3ccccc3)nnc2-c2ccco2)cc1 2331211335 LXNPWSSDBUFNPV-UHFFFAOYSA-N 430.577 6.053 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)c1cncc(C)c1 2331215850 ISLKHPYQYAPLHN-UHFFFAOYSA-N 435.907 5.784 30 10 IKEE COCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccc(Cl)cc1Cl 2331286803 LKYOHXGXVXKMRO-UHFFFAOYSA-N 449.407 5.565 30 10 IKEE CC(C)(C)c1nnc(SCc2ccccc2F)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2331397031 AVUYCCFMIJWDLR-UHFFFAOYSA-N 447.923 5.451 30 10 IKEE Cc1ccccc1C=Nn1c(CC(C)C)nnc1SCC(=O)Nc1cccc(C)c1C 2331430520 DGGBGZKGIQRAJW-UHFFFAOYSA-N 435.597 5.015 30 10 IKEE Cc1cccc(C=Nn2c(SCC(=O)Nc3cc(C)ccc3C)nnc2C2CCC2)c1 2331484221 WFGZBFSEXUUSOE-UHFFFAOYSA-N 433.581 5.084 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc1OC 2331545296 VFBZMRQRXUCJMV-UHFFFAOYSA-N 444.955 6.256 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2ccccc2Cl)nnc1C(C)C 2331701989 CIBCUGBDTXYFJP-UHFFFAOYSA-N 426.973 5.794 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1 2331764484 XADRXYSJLVMUIA-UHFFFAOYSA-N 428.528 6.055 30 10 IKEE CC(C)(C)OC(=O)Nc1nc2cc(Nc3ccc(C#N)c(Br)c3)ccc2s1 2382207136 XGTQOJHHFIHEQM-UHFFFAOYSA-N 445.342 6.021 30 10 IKEE N#Cc1ccc(OCCSc2nnc(COc3ccccc3F)n2-c2ccccc2)cc1 10440503 TXRVQBXDANLZPU-UHFFFAOYSA-N 446.507 5.028 30 10 IKEE O=C1C[C@H](c2ccc3ccccc3c2)C2=C(C[C@@H](c3ccc(Cl)c(Cl)c3)CC2=O)N1 21227278 ZVPPOLDBCVAWNC-RTBURBONSA-N 436.338 6.151 30 10 IKEE CC(C)Oc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2C(F)(F)F)cc1 21252860 WNZYHWOXGRSKDH-LPHOPBHVSA-N 443.465 5.497 30 10 IKEE CC(C)[C@@H](C(=O)O[C@H](C#N)c1ccc(O)c(Oc2ccccc2)c1)c1ccc(Cl)cc1 31502257 GMAXTTBMQATUEV-DNQXCXABSA-N 435.907 6.386 30 10 IKEE O=C(/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1nc2ccccc2o1)c1ccccc1 33718896 MVRKMJGXXJAUJI-PGMHBOJBSA-N 436.423 6.420 30 10 IKEE C=CCN1C(=O)/C(=C(\C)c2ccc(C)c(C)c2)S/C1=N/c1nc(-c2ccccc2)cs1 39865930 ZWUIAMGQVAVJDA-IHPRMZEVSA-N 445.613 6.607 30 10 IKEE C=C(C)C(=O)NCCCCCc1nc2ccccc2n1CCCOc1cc(C)ccc1C 40219801 JAMOGGWCDNVVMJ-UHFFFAOYSA-N 433.596 5.527 30 10 IKEE Cc1ccc(OCCCC(=O)Nc2sc(=S)c3c(c2C#N)CC[C@@H](C)C3)c(C)c1 41015679 JRFDORQBHHXJQI-OAHLLOKOSA-N 426.607 5.889 30 10 IKEE CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1c2ccccc2cc2ccccc12 58949843 AJFHAHVRUCBMJK-XMMPIXPASA-N 441.527 5.483 30 10 IKEE CC[C@H](C)Oc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OC(C)C)cc2)C3)cc1 59530918 RVYORPVTVDVABS-SNYIIPAISA-N 447.575 5.655 30 10 IKEE CCc1sc2nc(C)n(Cc3cccc(C#N)c3)c(=O)c2c1-c1ccc(C(C)(C)C)cc1 96525399 LGUZEVLSLDKILI-UHFFFAOYSA-N 441.600 6.213 30 10 IKEE CCCCCCCCCCOc1ccc(C2=N/C(=C\c3ccccc3Cl)C(=O)O2)cc1 97997729 SHIATAAJJMYXAO-CLCOLTQESA-N 439.983 7.204 30 10 IKEE CCCCCCCOc1ccc(NCC(=O)Nc2ccc(NC(=O)CCC)cc2)cc1 100077728 VNKJBYJAUVUJBD-UHFFFAOYSA-N 425.573 5.825 30 10 IKEE CCCCCCCCCCCCn1c(CCNC(=O)[C@@H]2CCCO2)nc2ccccc21 102137303 JJZUFJATVADHFN-DEOSSOPVSA-N 427.633 5.795 30 10 IKEE CCCCCCCCCn1c([C@H]2CC(=O)N(CCc3ccccc3)C2)nc2ccccc21 102214708 CHPYJLQJYCHGRA-DEOSSOPVSA-N 431.624 6.346 30 10 IKEE CCn1cc(/C=C2/Oc3c(ccc(OC/C=C\c4ccccc4)c3C)C2=O)c2ccccc21 103024236 VTWNAFPHVFGPMF-ARJYDFGASA-N 435.523 6.678 30 10 IKEE CN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc(Oc2ccccc2)cc1 103876939 ZHUTWQVIPWXUAC-QDJRPKQISA-N 445.569 6.083 30 10 IKEE COc1ccc(/N=C(\N2CCCCC2)[P@@](=O)(N2CCCCC2)N(C(C)C)C(C)C)cc1 103940327 CVZBIJNKNBIRMM-KGDRENPJSA-N 448.592 5.966 30 10 IKEE CCCCCCCCNCc1cc(Br)c(OCCC)c(Br)c1 104465099 ZEAMRFIBXLBEDF-UHFFFAOYSA-N 435.244 6.451 30 10 IKEE Clc1ccccc1CSc1nncn1/N=C\c1ccccc1OCc1ccccc1 139665991 HOJPBMVHZURXAQ-WGARJPEWSA-N 434.952 5.685 30 10 IKEE O=C(/C=C\c1cn(C[C@H](O)CN2CCc3ccccc32)c2ccccc12)c1cccs1 169616037 LVUSTTLJPLEOCA-AXUYNXDZSA-N 428.557 5.023 30 10 IKEE CC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccccc1OCc1ccc(Cl)cc1Cl 169936905 PZNXKTUTSLQMPX-FQEVSTJZSA-N 435.376 5.296 30 10 IKEE Cc1ccc(-c2csc(N/N=C\c3ccc(OCCCc4ccccc4)cc3)n2)c(C)c1 169941079 NTMGWJHVDXOQCQ-VEILYXNESA-N 441.600 6.885 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(O)cc2)cc1C 169960175 ZYLZLNMPQZUWHP-QFIPXVFZSA-N 433.891 5.445 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2cc(C)ccc2O)c1 169970876 JJERWHKRMUEDMZ-XMMPIXPASA-N 439.467 5.538 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cccc3ccccc23)[C@H]1c1ccccn1 169995725 OMMJVYOXEIBQSP-DEOSSOPVSA-N 436.467 5.026 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@@H]2c2ccncc2)cc1 170017120 NPKCNCXVFJRPOC-HSZRJFAPSA-N 426.516 5.470 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccccc2OC)=C(N2C[C@@H](C)C[C@@H](C)C2)C1=O 170060062 XJWWSCLTTSDTLI-BGYRXZFFSA-N 426.601 5.114 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)ccc1F 170062864 ZCIJKKCMHTWYEJ-NRFANRHFSA-N 439.845 5.710 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccc(F)cc2)cc1 170063547 SLHMOTNLXICUKP-NRFANRHFSA-N 432.838 5.134 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccccc2F)cc1C 170070150 TZIPYKHZLLJVRZ-XMMPIXPASA-N 445.490 5.542 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2c[nH]c3ccccc23)cc1 170075126 FXNJBGDGRCCGEH-VWLOTQADSA-N 436.511 5.822 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)CCc2ccccc2)=C(O)C(=O)N1c1cccc(Cl)c1 170107135 RYOAYIXFWCYFQC-OAQYLSRUSA-N 437.948 5.812 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccs2)ccc1Cl 170159117 WRWACRIHILTZTF-FQEVSTJZSA-N 439.920 5.583 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)(C)C)c2)[C@H]1c1cccs1 170164861 DANIERCWRWQXHC-OAQYLSRUSA-N 441.593 5.823 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1cccc(OCC(C)C)c1 170219101 ZYUZYMZIHHMFBD-QHCPKHFHSA-N 437.536 5.027 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccccc1F 170251696 UPVHPXIEOHPSSB-DEOSSOPVSA-N 449.566 6.343 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@H]1c1ccc(CC)cc1 170268326 URHDDUOKEUQLGB-JOCHJYFZSA-N 441.955 5.680 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)CCCO3)=C(O)C(=O)N1c1cccc(F)c1 170270956 YPNRHVQBLXDFOO-DEOSSOPVSA-N 443.474 5.242 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(OCC)cc3)[C@H]2c2ccco2)c1 170285205 IQFCMUSACQXPHB-QHCPKHFHSA-N 447.487 5.250 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccc(C)o1 170298935 FSOCYQYVEXJORL-NRFANRHFSA-N 435.451 5.135 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(C)o1 170299531 VASZHKDXTAKUMZ-HXUWFJFHSA-N 441.842 5.172 30 10 IKEE C=CCOc1cccc([C@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2CCCC)c1 170324045 NLRKITHGTZGPQV-DEOSSOPVSA-N 449.547 5.417 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(OC(C)C)cc2)cc1 170328476 VFPUFHQQSHECSK-XMMPIXPASA-N 443.499 5.265 30 10 IKEE COc1ccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2Cc2cccc(C(F)(F)F)c2)cc1 170428099 PGPAOHTXDAKPSW-NRFANRHFSA-N 447.453 5.225 30 10 IKEE O=C(Oc1ccc(C=Nc2ccccc2Cl)c(OC(=O)c2ccco2)c1)c1ccco1 252444348 HNUJTVKVVMFJES-UHFFFAOYSA-N 435.819 5.715 30 10 IKEE Cc1sc(NN=Cc2ccc(OC(=O)c3ccc(F)cc3)cc2)nc1-c1ccccc1 252463247 ZZGTUTLCECXOMB-UHFFFAOYSA-N 431.492 5.923 30 10 IKEE Cc1ccc2c(c1)S/C(=C1\C[C@@H]3[C@H]4CC[C@@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]3(C)C1=O)S2 253622534 YMDSWPZYGHRYGY-AVPGVCKESA-N 438.702 8.016 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCc3ccccc3)nnc2-c2cccnc2)cc1 254520398 FKPXUMGIBDGNSO-UHFFFAOYSA-N 442.592 5.361 30 10 IKEE CCOc1cc(C=Nn2cnnc2SCc2ccccc2)ccc1OCc1ccccc1 254826902 CWYGGVVOXBCACQ-UHFFFAOYSA-N 444.560 5.430 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccccc3)nnc2-c2ccccc2)cc1OC 254849981 VJIUMSSKWJMACP-UHFFFAOYSA-N 430.533 5.137 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(F)cc(Br)c1)NCCC 407501417 LFPGTMYHYFTQQI-RBUKOAKNSA-N 443.401 5.358 30 10 IKEE CCCCCCCCCCCCCCCC[C@H](C=O)/C(=N/N)c1ccc(C(=O)OC)cc1 514277811 FULIOPXNTAVLNY-BFFRAMDSSA-N 444.660 6.823 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2c(C)n(C)c3ccccc23)c1 526515219 IJGLSDSMCHYYPW-AREMUKBSSA-N 449.510 5.424 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(Cl)cc2)cc1 526516210 OLNWYOJJLKCWMA-HSZRJFAPSA-N 430.891 5.668 30 10 IKEE CCOc1ccc([C@@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1Cl 526520893 IYWDFWXWZFBKQQ-XMMPIXPASA-N 444.918 5.976 30 10 IKEE Cc1ccc(NC2=C(Sc3ccccc3)C(=O)N(c3ccc(C#N)cc3)C2=O)c(C)c1 526636549 VCIAZUHFGWGOJW-UHFFFAOYSA-N 425.513 5.164 30 10 IKEE Cc1nnc(SCc2ccccc2)n1/N=C\c1cc(Cl)c(OC(C)C)c(Cl)c1 526799723 OEAZNHOJVPAKGD-KSEXSDGBSA-N 435.380 5.855 30 10 IKEE CCOc1cccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccccc2F)c1 526803731 KMDPHALCDXWFDL-PKAZHMFMSA-N 446.551 5.581 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccc(OC(C)C)c(Cl)c1 526807248 QAXYKHPBWYGAJR-MSXFZWOLSA-N 449.407 6.109 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1cn(C)c2ccccc12 526818935 HSNCGGPKDDDWNG-YSMPRRRNSA-N 431.609 5.904 30 10 IKEE CCCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccc(Cl)cc2Cl)cc1 526824146 MRMZFECOCBCQAQ-CFRMEGHHSA-N 449.407 6.111 30 10 IKEE N#Cc1ccc(C(=O)N(C[C@@H]2CCCO2)c2nc3c(C(F)(F)F)cccc3s2)cc1 585177142 ZHEIGWYGNDCAAA-HNNXBMFYSA-N 431.439 5.013 30 10 IKEE C=CCCN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(CCCCCC)cc1 586234225 UZZFGWQWNWPDHT-UHFFFAOYSA-N 431.598 5.598 30 10 IKEE C=C(C)CC[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCC 686826242 IBIXQROJWMVWGC-QHCPKHFHSA-N 429.649 5.270 30 10 IKEE CCCCCCCCC[C@H](O)c1ccc(Br)cc1NC(=O)OC(C)(C)C 696381340 QULROELOVJLAOH-IBGZPJMESA-N 428.411 6.970 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@@]1(C#N)CCCN(Cc2ccccc2)C1 698891329 MXZMZKCXHDZOIL-XMMPIXPASA-N 425.960 5.640 30 10 IKEE C[C@@H]1CC[C@@H]2C(C)(C)[C@]2([S+]([C@]23C[C@H](C)CC[C@@H]2C3(C)C)[C@]23C[C@H](C)CC[C@@H]2C3(C)C)C1 1082709461 RGSZMTQAHFQKSE-UXZGLKLDSA-N 443.805 8.249 30 10 IKEE O=C(Nc1ccccc1Cl)[C@@H]1CC(=O)N(Cc2ccccc2)C(=Nc2ccccc2)S1 1084487112 FXUROMYZTXFDIL-NRFANRHFSA-N 449.963 5.501 30 10 IKEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CCC[C@@H]1CC 1358880797 SYCJBMVPSQPBPF-XYJFISCASA-N 445.405 5.000 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H](CS)[C@H](c2cc(C(F)(F)F)ccc2Br)C1 1614694740 RFVBIMYDTKSTHK-GXFFZTMASA-N 440.325 5.348 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=Nc1nccs1 1772736483 URXZEDMDAZAZFQ-MJEQIIAOSA-N 427.938 5.847 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(OCCCC)c(OC)c2)SC1=Nc1ccc(O)cc1 1772763883 ZAQQVZJBGWMNDG-HNYZTYFESA-N 438.549 5.370 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)CCc1ccc(C)c(C)c1 1861094470 CCXIVKNRYFTKGE-XMMPIXPASA-N 448.717 5.731 30 10 IKEE CCCCCCCCNC(=O)c1ccc2nc(-c3ccc(OCCC)c(OC)c3)[nH]c2c1 1861874554 XBDYBMYEWNMSJX-UHFFFAOYSA-N 437.584 6.118 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccccc2F)cc1 1862391018 QTCNABOWQIAZFO-RUZDIDTESA-N 449.566 6.469 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2ccco2)cc1 1862415308 UJVYDAOFBKYOCG-JOCHJYFZSA-N 437.442 5.460 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1[C@@H](C)c1ccccc1 1862443978 VCLQPINQWXOASR-SBUREZEXSA-N 431.919 5.988 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(Cl)cc1Cl 1862467888 WMHAODXVJLAXMK-KRWDZBQOSA-N 444.236 5.399 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2Cc2ccccc2)c1 1862543721 NIVGVDLOBPHEGM-SANMLTNESA-N 437.539 5.652 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CC(C)C)cc1 1862582011 UMTAQMXTWGSZBS-HXUWFJFHSA-N 432.347 5.790 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccc(Cl)cc2)cc1 1862590850 RJWCLXIPRUWQIL-HSZRJFAPSA-N 447.918 5.387 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)cc1 1862595806 QAERHECBFMTVQT-OUPRXKBMSA-N 433.548 5.673 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2ccncc2)c1 1862659931 GDRLNBPITUAACS-XMMPIXPASA-N 426.516 5.292 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@@H]1c1ccccc1F)c1ccc(F)cc1 1862672324 AJGLKXSGRXNICG-HSZRJFAPSA-N 433.454 5.176 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1cccc(Cl)c1)c1ccc(F)cc1 1862675206 DRTUJOXWNHGMSC-IBGZPJMESA-N 427.884 5.319 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2c(F)cccc2Cl)cc1 1862692270 INPNOPIWQZCVLO-NRFANRHFSA-N 443.902 5.399 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccc1 1862713826 XSVIIWUVFANVGZ-RUZDIDTESA-N 443.543 5.625 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2C2CCCC2)cc1 1862721831 JUHFEUBBAAKJRG-SANMLTNESA-N 437.539 6.183 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3cccc4ccccc34)C2=O)cc1 1862845749 DKOCFKBKEBWXAW-UHFFFAOYSA-N 429.479 5.417 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCCC)=C(c2ccccc2Cl)C1=O 1863778085 XTFSBXNPTJYGEH-UHFFFAOYSA-N 433.036 6.340 30 10 IKEE C=CCN(CC=C)c1cc(N2C[C@H](C)Cc3cc(OC)ccc32)nc(-c2cccnc2)n1 1869366414 KAWUMHUYDFIUBE-LJQANCHMSA-N 427.552 5.056 30 10 IKEE Cc1cc(Cl)ccc1-n1nnc(C#N)c1NC(=O)/C=C/c1ccc(Cl)cc1Cl 1870141052 XJUUHPMDACGTII-XVNBXDOJSA-N 432.698 5.060 30 10 IKEE CCCCCOc1cn(CCCCC)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870188898 UMTNBNLTJRJHBQ-UHFFFAOYSA-N 441.641 6.092 30 10 IKEE C=CCOc1cn(CCC(C)C)c(CSc2nc3ccc(OC(F)F)cc3[nH]2)cc1=O 1870244163 CKIPGMBPMJRNIC-UHFFFAOYSA-N 449.523 5.229 30 10 IKEE CCCCCCCCCCn1cc(OCCC(=O)OCC)c(=O)cc1CSC(C)C 1870267190 YDWKFUHJNAWBAG-UHFFFAOYSA-N 439.662 5.963 30 10 IKEE C=CCn1cc(OCC(=O)N(CCC)CCC)c(=O)cc1CSc1ccc(Cl)cc1 1870269316 JKEKFAJPSWPNAZ-UHFFFAOYSA-N 449.016 5.007 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(C(C)C)cc2)c(=O)cc1CSCC 1870272530 QCCORYLSCAAMOP-UHFFFAOYSA-N 429.670 7.164 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2F)c(CN2CCC[C@H](C)C2)cc1=O 1870414331 LZTMNENKMXTXJN-NRFANRHFSA-N 428.592 5.617 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(O)cc2)c(CN2C[C@@H](C)C[C@H](C)C2)cc1=O 1870416911 VFTKGYGMCXXKFA-VXKWHMMOSA-N 440.628 5.429 30 10 IKEE CCCCCCCCCCn1cc(OCCO)c(=O)cc1CNc1ccc(Cl)cc1C 1870791901 RMLLZZTWLDLQHU-UHFFFAOYSA-N 449.035 5.934 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc4c3CN(CCC3=CCCCC3)CO4)C2=O)c1OC 1871349768 SLFOBTOYMJQBDS-IWIPYMOSSA-N 447.531 5.362 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN(C24CC5CC(CC(C5)C2)C4)C3)C1=O 1871359103 ILGIDLZBUQUYMW-GATIEOLUSA-N 441.571 6.040 30 10 IKEE Cc1ccc(CCN2COc3c(cc4c(c3C)O/C(=C\C=C\c3ccccc3)C4=O)C2)cc1 1871359580 RITGUEYRMOUZDG-DIZROQCKSA-N 437.539 5.870 30 10 IKEE Cc1c(OC(=O)c2ccccc2[N+](=O)[O-])ccc2c1O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871369506 OONZLBJWKPCGBV-UCQKPKSFSA-N 443.455 5.862 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2)Oc2cc(OC(=O)c3c(F)cccc3Cl)ccc21 1871375293 DNRYHRQNNTYTLK-GRSHGNNSSA-N 429.230 5.968 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(OC(=O)C(C)C)cc4)ccc3C2=O)cc1 1871390869 MYVCCLBNHLLKTJ-OYKKKHCWSA-N 442.467 5.392 30 10 IKEE CCOc1ccccc1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccco1)C2=O 1871403537 YVFWWJLIRPCMCE-GLFIFPSUSA-N 433.460 5.009 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccccc2)C3=O)cc1 1871412183 WDNJFFDVWAVPAN-GJQHCVRFSA-N 427.500 5.580 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(F)cc1)[C@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1871873743 IXYIGSVXSAUOAS-UZUQRXQVSA-N 446.588 5.063 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(=O)(=O)C1CC1 1872215440 AMJKDFCBAQSGRC-DEOSSOPVSA-N 440.609 5.140 30 10 IKEE C=CCN([C@H](CC)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872432708 APBZZUJQEHMPDQ-OAQYLSRUSA-N 449.016 5.168 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccccc1CC)S(=O)(=O)c1ccc(F)cc1 1872475530 LRVAUGMTHGDYTE-HSZRJFAPSA-N 446.588 5.152 30 10 IKEE COc1ccccc1CC(=O)[C@@H](C#N)c1nc(-c2cccc(Br)c2)cs1 1872764251 IOHDNHCBMMNYRY-MRXNPFEDSA-N 427.323 5.000 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(F)cc3)n2)cc1OCCC 1872766965 MKHZUPMVXQTEPZ-IBGZPJMESA-N 438.524 6.017 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)C(Cl)(Cl)Cl)n2)c2ccccc12 1872788701 ONCOLBGGHTVXBP-ZDUSSCGKSA-N 425.724 5.518 30 10 IKEE CCCCCCCCCCNC(=O)c1cccc(COc2ccc(C)c([N+](=O)[O-])c2)c1 1872838607 CRFZABSJVVLBQW-UHFFFAOYSA-N 426.557 6.353 30 10 IKEE CCCCCCCCN1C(=O)C(NC2CCCCC2)=C(c2cc(OC)ccc2OC)C1=O 1873147483 RKFLXOOYVKISGY-UHFFFAOYSA-N 442.600 5.067 30 10 IKEE CCCCCCCCNC(=O)c1cc2c(N3CCC(C)CC3)ncnc2n1CC(C)C 1873577510 VNBJPNWRFFZHAM-UHFFFAOYSA-N 427.637 5.414 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)c(Cl)c2)cc2c(NCc3ccc(F)cc3)ncnc21 1873611932 ZXLUUFVQMQIQTI-UHFFFAOYSA-N 449.917 5.583 30 10 IKEE C=CCn1c(C(=O)Nc2ccccc2C(C)C)cc2c(NCCCOC(C)C)ncnc21 1873628669 MWSIODAZCIKEMY-UHFFFAOYSA-N 435.572 5.220 30 10 IKEE CCOc1cccc(/C=N/n2c(CCCOc3ccccc3Cl)nnc2SCC)c1 1874215680 FIJVJPUVNORLII-LFVJCYFKSA-N 444.988 5.336 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1ccc(Cl)cc1 1874254050 TVARMXXVZPXNAE-LFVJCYFKSA-N 426.973 5.412 30 10 IKEE Fc1cccc(CSc2nnc(CCc3ccc(Cl)cc3)n2/N=C/c2ccco2)c1 1874282007 LIKWALCONANGMJ-AFUMVMLFSA-N 440.931 5.623 30 10 IKEE CCCCC1CCC(c2nnc(SCC(=O)OC)n2/N=C/c2ccccc2Cl)CC1 1874287711 SURFNYPDKSSWPK-ZVHZXABRSA-N 449.020 5.543 30 10 IKEE CCSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874319253 IBNUWADAKTVGEB-BRJLIKDPSA-N 434.487 5.487 30 10 IKEE CCSc1nnc(COc2cccc(C)c2C)n1/N=C/c1ccc(Cl)c(Cl)c1 1874323859 LEFPSQODXZPOMM-FOKLQQMPSA-N 435.380 5.775 30 10 IKEE COc1ccccc1/C=N/n1c(SCCc2ccccc2)nnc1-c1ccccc1Cl 1874365748 SAOVDKUCVWXOPJ-YZSQISJMSA-N 448.979 5.824 30 10 IKEE Clc1ccc(CSc2nnc(CCc3cccs3)n2/N=C/c2ccco2)cc1 1874372174 MJWIVJDHHFKNRY-LPYMAVHISA-N 428.970 5.546 30 10 IKEE Cc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SCC(=O)N[C@H](C)c2ccccc2)c1 1874441003 DQUQGKOJMSARBT-DZTFFZQKSA-N 449.624 5.027 30 10 IKEE COCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(Cl)cc1 1874473835 ZIFWYDQMIMOUIY-MFKUBSTISA-N 436.968 5.448 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(CC(C)C)nnc2SCc2cccc3ccccc23)c1 1874490734 HWLHOSGYSRMTGY-CVKSISIWSA-N 430.577 5.818 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(C3CCC3)n2/N=C/c2cccc(Cl)c2)cc1 1874494549 RTBYAPJPAZVUJB-WSDLNYQXSA-N 427.917 5.282 30 10 IKEE COc1cc(/C=N/n2c(S)nnc2C2CC2)ccc1OCc1ccc(Cl)c(Cl)c1 1874558566 LDQDBHNAMCMAJE-AUEPDCJTSA-N 449.363 5.221 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2cc(C)cc(C)c2)cc1C 1874573802 FUVCDEHXGMLRAU-PKNBQFBNSA-N 429.516 5.534 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(C)c(C)c1 1874587983 OGFLIQXZAUQIHK-PKNBQFBNSA-N 427.972 5.880 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OCC(=O)Nc1cc(C)ccc1C 1874598006 OSXHVZMTWQRUQE-WUXMJOGZSA-N 433.479 5.365 30 10 IKEE COC(=O)c1ccc(COc2cc(/C=C/C(=O)c3c(C)cc(C)cc3C)ccc2OC)o1 1874600657 WMTIYFVPLBBMQS-RMKNXTFCSA-N 434.488 5.475 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)NCc3ccco3)c(OC)c2)cc1 1874607366 KNSZMTKJOCKUNF-GXDHUFHOSA-N 447.531 5.222 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)cc(Cl)c1OCc1ccc(C)cc1 1874611122 BRSPOIVSAJVCKN-BUHFOSPRSA-N 436.935 6.531 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Cl)c1OCCc1ccccc1 1874611341 IOQKPGPIOUTSNE-JXMROGBWSA-N 428.862 6.144 30 10 IKEE CCCOc1c(OCC)cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc1[N+](=O)[O-] 1874626163 PFPKBUHGJBSSPQ-PKNBQFBNSA-N 441.524 5.985 30 10 IKEE CCCOc1c(Cl)cc(/C=C/C(=O)c2cc(OCC)ccc2OCC)cc1OCC 1874630075 JOCKHQFUYDUCHA-PKNBQFBNSA-N 432.944 6.221 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OCC(=O)NCc3ccccc3)c(Cl)c2)c(C)c1 1874634374 YTRTWZJOLSNTKC-PKNBQFBNSA-N 447.962 5.857 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccccc3F)c2)cc1F 1874707853 ZSRFVVGJIOBHJV-JXMROGBWSA-N 438.426 5.026 30 10 IKEE Cn1c(C(=O)Oc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2)cc2ccccc21 1875085157 RWBDGUYCKCLXLK-SDNWHVSQSA-N 426.428 5.202 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc4cc(Cl)ccc4n3)cc2)c1 1875102276 FCEPVRLXKNYTAE-VGOFMYFVSA-N 443.886 6.012 30 10 IKEE O=C(Cc1ccccc1F)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1 1875104049 CULNIEQISJANRD-KPKJPENVSA-N 429.274 6.177 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3OC)cc2[N+](=O)[O-])cc1 1875118716 KTAAKKQWRFYWQZ-RIYZIHGNSA-N 447.443 5.117 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1 1875122682 HTWXQRSZKUJJIJ-UUILKARUSA-N 427.283 6.117 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)Oc3ccc(Cl)cc3)cc2)c1 1875137806 FRZNLLQAHREJHX-YCZZBHQNSA-N 434.919 6.226 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1 1875148933 PUQALNBSUSIXFH-YBFXNURJSA-N 442.555 6.427 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OC(=O)Cc1cccs1 1875154350 ABIKXFRQKVCOHG-ACCUITESSA-N 428.509 5.954 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc3cc(Cl)ccc3n2)cc1)c1ccc(F)c(F)c1 1875162073 VUFNGZLGOGXSQS-KGVSQERTSA-N 449.840 6.282 30 10 IKEE C=CCC[C@H](C)SC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1883384090 ZWGDSZOXMNKMKK-KSFYIVLOSA-N 425.550 5.066 30 10 IKEE C=CC1(CSC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)CCC1 1892307725 RUJXYLNKHJDPCN-QFIPXVFZSA-N 437.561 5.068 30 10 IKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(Br)ccc1Br 1935891474 VQGNLZIEHTXDEA-IAQYHMDHSA-N 446.183 5.812 30 10 IKEE CC(C)(C)OC(=O)N1CC(C)(C)[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 1996502008 AVRLMFWXNKJGIG-HSZRJFAPSA-N 433.524 5.106 30 10 IKEE Cc1sc(Cl)cc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2036891603 GJAMDSNEIWDGEC-OAHLLOKOSA-N 441.778 6.479 30 10 IKEE COc1cc(NC=CC(=O)c2ccc3noc(-c4cccc(OC)c4)c3c2)cc(OC)c1 2040736947 WTMKUWNWHRAHJS-UHFFFAOYSA-N 430.460 5.329 30 10 IKEE O=C(C=CNc1ccc(Cl)cc1F)c1ccc(OCc2c(F)cccc2Cl)cc1 2040742054 IAXGGQMDCTZXJU-UHFFFAOYSA-N 434.269 6.659 30 10 IKEE COc1ccc(Oc2ccc(C=CC(=O)c3cc(Cl)ccc3Cl)cc2[N+](=O)[O-])cc1 2053611733 QCEZYIGCIVTCMK-UHFFFAOYSA-N 444.270 6.599 30 10 IKEE CCOC(=O)c1c(C(C)(C)C)nn(-c2c(F)c(F)c(F)c(F)c2F)c1C(F)(F)F 2079041020 QYXGFRSHYFFZKE-UHFFFAOYSA-N 430.295 5.061 30 10 IKEE CCc1ccc([C@@H](C(C)C)n2nc(C(F)(F)F)c(C#N)c2I)cc1 2079130815 JNKFAOSUZCDHCX-CQSZACIVSA-N 447.242 5.186 30 10 IKEE CC(C)(C)c1nn(-c2cccc(C(F)(F)F)c2F)c(C(F)(F)F)c1Br 2079139947 DPQGLLJYLXNCKH-UHFFFAOYSA-N 433.165 6.109 30 10 IKEE C[C@@H](c1ccc(C2CCC2)cc1)n1nc(C2(C)CC2)c(C#N)c1I 2079972254 RXBZMCZGWJICJL-ZDUSSCGKSA-N 431.321 5.288 30 10 IKEE Cc1cc(C)c([C@H](C(C)C)n2nc(C3(C)CC3)c(C#N)c2I)c(C)c1 2080038978 UREWFOOLCFNTTO-SFHVURJKSA-N 447.364 5.582 30 10 IKEE C=CCCCCCCCCC[C@@H](O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2086264682 WJCFTYYNMQETMV-LOSJGSFVSA-N 446.676 6.070 30 10 IKEE CC[C@@]1(CNc2ccc(C#N)c(Br)c2F)CCCN1C(=O)OC(C)(C)C 2106046190 VJSFMBQPJDVURQ-IBGZPJMESA-N 426.330 5.051 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@]1(C)CNc1cc(Br)cc(F)c1C#N 2107452481 YGNALYVGSQEGMI-LJQANCHMSA-N 426.330 5.051 30 10 IKEE C=CCN(CC[C@@H](Cc1cc(Br)ccc1Cl)NCC)C(=O)OC(C)(C)C 2110506454 KHBNPZXZEPDCFS-KRWDZBQOSA-N 445.829 5.436 30 10 IKEE CCCCCCCCC[C@@H](N)[C@H](O)c1scc(Br)c1Br 2150581618 GQTILOWXJHPFRB-OCCSQVGLSA-N 427.246 5.775 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@@]2(C#N)Nc2cccc(Br)c2)C1 2156250028 FBSVDBCRJATUJR-SFTDATJTSA-N 434.378 5.325 30 10 IKEE C=CCC1([C@@H](NCCC)c2c(F)cccc2Br)CN(C(=O)OC(C)(C)C)C1 2173459018 RMCJDNAWPPXCDJ-SFHVURJKSA-N 441.385 5.442 30 10 IKEE CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)cc2Br)c2ccccc2C1 2174811925 DZYKXXVFSUFHKD-UHFFFAOYSA-N 428.330 5.210 30 10 IKEE CN(C(=O)OC(C)(C)C)[C@H](CNc1cc(Br)ccc1C#N)c1ccccc1 2175022771 OXUAJWFREWUHEP-LJQANCHMSA-N 430.346 5.341 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@H](C)CN(C(=O)OC(C)(C)C)[C@@H]1C 2220391510 KRTZNXFNNWYHQO-MVIPISOYSA-N 443.588 5.664 30 10 IKEE CC[C@]1(Nc2c(Br)cccc2C#N)CCCN(C(=O)OCc2ccccc2)C1 2257474193 WARTXHNOBGJNKJ-QFIPXVFZSA-N 442.357 5.314 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NC)C1(NC(=O)OC(C)(C)C)C2CC3CC(C2)CC1C3 2259264583 FPYZOOKXIODABC-VTBTZVCKSA-N 440.628 5.067 30 10 IKEE C=C[C@]1(Oc2ccnc3ccc(Br)cc23)CCCN(C(=O)OC(C)(C)C)C1 2285337017 NORYKOCTVVDKJE-NRFANRHFSA-N 433.346 5.332 30 10 IKEE CCCN[C@@H](C#CC1CCCC1)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2289693988 RNYBRQLLHAPIKT-FQEVSTJZSA-N 435.406 6.030 30 10 IKEE CCN1C(=O)C(=C2Sc3ccc(Cl)cc3N2CC)SC1=Nc1ccc(C)c(C)c1 2295201822 GDSRHAUEMVYARF-UHFFFAOYSA-N 444.025 6.341 30 10 IKEE CCn1cc(C=C2Oc3cc(OC(=O)c4ccccc4OC)ccc3C2=O)c2ccccc21 2296871828 IEACCSJHDIMJHM-UHFFFAOYSA-N 439.467 5.505 30 10 IKEE COc1ccc(N=C2NC(=O)C(=Cc3ccc(-c4cc(Cl)ccc4Cl)o3)S2)cc1 2297462407 UBHSKOIJTFDGFS-UHFFFAOYSA-N 445.327 6.154 30 10 IKEE O=C1NC(=Nc2cccc(Cl)c2Cl)SC1=Cc1cccc(Oc2ccccc2)c1 2313541418 GWNUEUQFBVCFPO-UHFFFAOYSA-N 441.339 6.677 30 10 IKEE CCN(CC)c1ccc(C=C2SC(=Nc3cccc(Cl)c3Cl)NC2=O)c(O)c1 2313541469 JOHDZFIGPHQOJD-UHFFFAOYSA-N 436.364 5.437 30 10 IKEE CCOc1ccc2oc(C)c(C(=O)Oc3ccc(C=CC(=O)c4ccc(C)cc4)cc3)c2c1 2314429734 NMWMRACENXHTTJ-UHFFFAOYSA-N 440.495 6.564 30 10 IKEE C=CCOc1ccc(C=C2SC(=Nc3cccc(C)n3)N(c3ccccc3)C2=O)cc1 2314540017 GZJSRGLVJGYTHH-UHFFFAOYSA-N 427.529 5.763 30 10 IKEE COc1cccc(C=C2Oc3cc(OCc4ccc(Cl)cc4)cc(C)c3C2=O)c1OC 2321767428 RXIKQHREWCCIAI-UHFFFAOYSA-N 436.891 5.861 30 10 IKEE CCCCOc1ccc(C=Nn2c(S)nnc2CCCOc2ccc(CC)cc2)cc1 2322217853 ABRMMUNRXCPQGO-UHFFFAOYSA-N 438.597 5.202 30 10 IKEE CCc1ccc([C@H](C)N2COc3ccc4c(c3C2)OC(=Cc2cccc(OC)c2)C4=O)cc1 2322259918 HHHCEFGLZOCIRG-SFHVURJKSA-N 441.527 5.787 30 10 IKEE COc1ccccc1C(=O)C=Cc1cccc(OC)c1OCC(=O)Nc1cc(C)cc(C)c1 2322485537 YACYIEPVGVEZMF-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE COc1cccc(C=CC(=O)c2cc(C)ccc2C)c1OCC(=O)N[C@H](C)c1ccccc1 2322617648 XXFRPOBSGOKBBS-OAQYLSRUSA-N 443.543 5.464 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(F)c(C)c2)c1OCC(=O)Nc1cccc(C)c1C 2322638325 RWGGJACJHSURAW-UHFFFAOYSA-N 447.506 5.673 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OC(=O)c4cc5ccccc5o4)cc(C)c3C2=O)cc1 2322843442 OIXZQAFCFDUTFE-UHFFFAOYSA-N 440.451 5.975 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)c4cccc(Cl)c4)ccc3C2=O)c(OC)c1 2322906456 YIDJNOUIKQGNKR-UHFFFAOYSA-N 436.847 5.193 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCc2c(F)cccc2Cl)c2ccccc12 2323009404 GWQUIAZATMSWAD-UHFFFAOYSA-N 446.905 7.116 30 10 IKEE CCCOc1ccccc1C=CC(=O)Oc1cc(C)c2c(c1)OC(=Cc1ccc(C)o1)C2=O 2323345310 KQBPLAZMLKKMIB-UHFFFAOYSA-N 444.483 5.920 30 10 IKEE CCCOc1c(Cl)cc(C=Nn2c(S)nnc2Cc2ccc(F)cc2)cc1OCC 2323544161 VYYKGRLDMFJITO-UHFFFAOYSA-N 448.951 5.020 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccccc2Cl)cc1OCC 2323620038 KYYDTEKIHMUUTI-UHFFFAOYSA-N 443.971 5.662 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OCc3ccccc3Cl)c(OC)c2)cc1 2323627857 FIQPSKRFUQSNSQ-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc(-n5cccc5)cc4)c3C)C2=O)cc1 2323676259 CHVWHIFIXRMVNR-UHFFFAOYSA-N 449.506 6.184 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)c1 2323802669 ZAVOMWWYYOVVRA-UHFFFAOYSA-N 445.427 5.137 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)cc1 2323829510 DGRVTONVLQZPHA-UHFFFAOYSA-N 436.935 6.531 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Cl)c1OCc1ccccc1F 2323953072 UMONSRIZPRPQON-UHFFFAOYSA-N 438.926 6.970 30 10 IKEE Cc1cc(C)c(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2cccs2)C3=O)c(C)c1 2324331904 ZKCXRBJTOBKRNT-GOSISDBHSA-N 447.556 6.004 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OCC(=O)Nc2cccc(C)c2)cc1 2324358747 ZNKMCGKLKKGMGL-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE CCOc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccccc4)cc(C)c3C2=O)cc1 2324405796 BCEJADLZNGABTQ-GOSISDBHSA-N 443.499 5.416 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc5ccccc5c4)cc(C)c3C2=O)cc1 2324959854 CHNJFXLREDQNOH-UHFFFAOYSA-N 449.506 6.090 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2c(c1C)OC(=Cc1cn(C)c3ccccc13)C2=O 2325198328 JHYSCJSAGXYGEQ-UHFFFAOYSA-N 446.547 5.130 30 10 IKEE Fc1cccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccccc2Cl)c1 2325471736 IKDAFMLBKBQJIM-UHFFFAOYSA-N 436.943 5.836 30 10 IKEE O=C(CCc1ccccc1)Oc1cccc(C=CC(=O)c2ccc(Br)cc2)c1 2325716662 ZTWBEPNPHFIYSQ-UHFFFAOYSA-N 435.317 5.883 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1OC(=O)c1cccc2ccccc12 2325724951 AZSWHJGBDPBPIY-UHFFFAOYSA-N 444.433 6.242 30 10 IKEE Cc1ccc(C)c(OCC(=O)Oc2cccc(C=CC(=O)c3cccc(Cl)c3)c2)c1C 2325728459 BMXLYZXHSYXHKG-UHFFFAOYSA-N 434.919 6.146 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OC(=O)Cc1ccccc1Cl 2325739836 IBQCFERLEHAPGW-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE Cc1cc(C(=O)C=Cc2cccc(OC(=O)c3ccc(-n4cccc4)cc3)c2)ccc1F 2325742025 HJHXVDQEWCFDAK-UHFFFAOYSA-N 425.459 6.040 30 10 IKEE COc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c(C)c3C)c2)cc1OC 2325755494 BBOGYEXZAHCMNJ-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)c2)cc1 2325756704 HADVUYSSLVKLDW-UHFFFAOYSA-N 428.528 5.973 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)Cc3ccccc3[N+](=O)[O-])c2)c(C)c1 2325764607 GNNYQTSRXIKTAB-UHFFFAOYSA-N 429.472 5.564 30 10 IKEE COc1cc(C=Nn2cnnc2SCc2ccccc2)ccc1OCc1ccccc1 2326202846 AMYDZBSZRWXZTH-UHFFFAOYSA-N 430.533 5.040 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccc(OCC(C)C)cc1 2326389283 OCMLHFBWBNXPOT-UHFFFAOYSA-N 436.625 6.138 30 10 IKEE C=CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1cccc(OCC)c1 2326924337 OLZGJGVNLOOKOH-UHFFFAOYSA-N 436.625 5.596 30 10 IKEE C=C(C)CSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccccc1C(=O)O 2327751679 PUBYOVSAIFOIHW-UHFFFAOYSA-N 442.544 5.271 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3Cl)n2N=Cc2ccccc2)c1 2327936669 NYNQJYWCQLRNFU-UHFFFAOYSA-N 447.007 6.200 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1cccc(OCC)c1 2328056604 YCQJJKMJDYRDOK-UHFFFAOYSA-N 441.000 5.666 30 10 IKEE C=C(C)CSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1c(F)cccc1Cl 2328156038 YDNCOTNJEUWMRX-UHFFFAOYSA-N 449.039 7.085 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2)n1N=Cc1cccc2ccccc12 2328745066 AWTUCRDPFZJQBC-UHFFFAOYSA-N 442.588 5.993 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2N=Cc2cccc(O)c2)cc1 2329943678 XCRYKNZAGSJRGM-UHFFFAOYSA-N 432.524 5.197 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)cc2)n1N=Cc1c(Cl)cccc1Cl 2329986298 DTSCCHGBCPTHII-UHFFFAOYSA-N 431.392 6.035 30 10 IKEE Cc1ccc(CSc2nnc(-c3cccs3)n2N=Cc2ccccc2[N+](=O)[O-])cc1 2330530318 GKFGPZOOGCMLBM-UHFFFAOYSA-N 435.534 5.398 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(Cl)c1OC(=O)CCOC 2330690123 ADVAXALHVKJYJP-UHFFFAOYSA-N 442.939 5.456 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3ccc(F)cc3)c(OC)c2)cc1 2330742414 FMUWATGFZAGPAF-UHFFFAOYSA-N 434.463 5.521 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1)c1cccc([N+](=O)[O-])c1 2330805317 OYNQMPFOXYCGHI-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)cc([N+](=O)[O-])c1OC(=O)c1ccco1 2330935719 IQWRHWSETTZNCD-UHFFFAOYSA-N 441.823 5.355 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 2331051773 KQEXWKIUJJCOLX-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OC(=O)c1ccccc1Cl 2331106245 JSFFHNNHDNIULW-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3c(C)ccc(C)c3C)cc2)cc1 2331189303 COAPINXDRZIURU-UHFFFAOYSA-N 444.527 5.891 30 10 IKEE Clc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2-c2ccco2)cc1 2331211191 LLBXKHVFBFUWPX-UHFFFAOYSA-N 429.332 6.019 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2ccc(C)cc2)cc1 2331496233 BJWBGNPSGICJCM-UHFFFAOYSA-N 433.581 5.029 30 10 IKEE CC(C)c1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1c[nH]c2ccccc12 2331705455 PHZQLMOHYVWSNZ-UHFFFAOYSA-N 444.391 6.364 30 10 IKEE C=CCc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)[C@H]1CCCO1 2331780009 MAKVNHYIFJWSMM-HSZRJFAPSA-N 434.532 5.329 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)CCOc1ccccc1 2331780222 FSTJEFPCFUIXAG-UHFFFAOYSA-N 444.527 5.891 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3c(F)cccc3Cl)cc2)cc1Cl 2331818780 UFJMZFPEDVPGHV-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3)c(Cl)c2)c2ccccc12 2331866805 VQQZMAZNTFUQQT-UHFFFAOYSA-N 442.898 6.617 30 10 IKEE C[C@H](NC(=O)OC(C)(C)C)C(C)(C)COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339579161 RNOAPMCPMCZSMY-CLVCIHKQSA-N 446.397 5.044 30 10 IKEE N#Cc1c(Br)cccc1OCc1cc(I)ccc1Cl 2352243599 USMJQNCIFGLFKV-UHFFFAOYSA-N 448.485 5.158 30 10 IKEE CCCCCC[C@@H](C)OCc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1 2377331092 UHZCCPCCQVMFOM-MRXNPFEDSA-N 425.216 5.624 30 10 IKEE N#CC1(C#N)[C@H](c2ccc(F)cc2)[C@H](C(=O)c2ccc(F)cc2)N2C=Cc3ccccc3[C@@H]21 16034191 AYNMENWBYFWJAX-DGWZTRNLSA-N 437.449 5.375 30 10 IKEE COc1ccc(C(=O)[C@@H]2[C@H](c3cccs3)C(C#N)(C#N)[C@H]3c4ccccc4C=CN23)cc1 16034450 YMCXLLPIHSKVQS-SONWIMMPSA-N 437.524 5.167 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(Cl)c2Cl)cc1 21237289 XFURBEXVWRSTSX-QAPCUYQASA-N 444.358 5.787 30 10 IKEE N#Cc1cccc(S(=O)(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)c1 33169058 AJPPYFKUUMRELZ-UHFFFAOYSA-N 425.922 5.289 30 10 IKEE COc1ccc(/C=C\C(=O)c2ccc3ccccc3c2O)cc1COc1ccccc1F 33248983 IHLSDFZTIWZIRW-UVTDQMKNSA-N 428.459 6.168 30 10 IKEE O=C(/C=C\c1ccc(-c2ccc(Cl)cc2)o1)c1ccc2c(c1)Nc1ccccc1S2 34718994 DSJYWMYLPQTSSY-BENRWUELSA-N 429.928 7.704 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(OC)cc2)S/C1=N/c1nc(-c2ccccc2)cs1 39865856 FPXSMXSDBZTPRX-QJYUKRAPSA-N 433.558 5.609 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(O)cc1 40094144 GOLMKESXARBTEG-HSZRJFAPSA-N 437.536 5.114 30 10 IKEE C=CCn1c(S[C@@H](C)c2nnc(C3CCC3)o2)nnc1-c1ccc(Br)cc1 59877945 AZVXJSBGRHWBAC-LBPRGKRZSA-N 446.374 5.397 30 10 IKEE C/C(=N/n1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccc(Cl)cc1)c1ccncc1 96402050 ZQCAXIHJKPXEGG-KHWKFTDJSA-N 439.371 6.423 30 10 IKEE CN1C(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)S/C1=N/c1ccccn1 101123853 LCKKURUKPNPKAU-URWIEHKQSA-N 435.936 5.548 30 10 IKEE CCCCCCCC(=O)NN1C(=O)c2ccccc2N[C@@H]1c1ccc(Br)o1 101314510 MAXIAUKWUPLLLS-IBGZPJMESA-N 434.334 5.000 30 10 IKEE C/C(Nc1ccc(C)cc1)=C1/C(=O)C(=O)N(c2ccc(O)cc2)[C@H]1c1ccc(Cl)cc1 101623185 NTRUXCXPSZLYHC-AEUZFIIDSA-N 432.907 5.397 30 10 IKEE Cc1ccc(/N=C2/c3ccccc3C3=NC(=O)N[C@](c4ccccc4)(C(F)(F)F)N32)c(C)c1 102715553 UUOIXSUFCIKXRN-GDAFIIBNSA-N 448.448 5.582 30 10 IKEE COc1cc(/C=C2/Oc3cc(OCc4ccccc4F)ccc3C2=O)cc(OC)c1OC 103017720 MNIPXZHJJJJJIV-UFFVCSGVSA-N 436.435 5.047 30 10 IKEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(CCc3ccccc3)[C@H]2c2ccccc2Cl)cc1 103090511 XADIILSENQXNOH-FEYWKWKCSA-N 431.919 5.313 30 10 IKEE COc1ccc([C@H](NC(=O)/C=C/c2cn(CCC#N)c3ccccc23)c2ccccc2)cc1 104824643 SGZZULVRCVEFDC-ZUMFDBBVSA-N 435.527 5.483 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3ccccc3)c(C)s2)cc(Br)c1O 111861184 RFZKSSGBIXFMQR-NHDPSOOVSA-N 432.343 5.431 30 10 IKEE COc1c(Br)cc(Br)cc1/C=N/Nc1ccc(C)c(Cl)c1 169879391 NWMKGLDCRWDSOM-UFWORHAWSA-N 432.543 5.628 30 10 IKEE CCCCCCCOc1ccccc1/C=N/NS(=O)(=O)c1cc(Cl)ccc1OC 169904990 QASZIJNWRRXVNV-XQNSMLJCSA-N 438.977 5.010 30 10 IKEE CCCN1C(=S)N[C@H](c2ccc(Oc3ccc(C(C)C)cc3)cc2)C2=C1CCCC2=O 169929951 RRJCKSFAKFNOGG-RUZDIDTESA-N 434.605 6.251 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3cccs3)c(C)s2)cc(Br)c1O 169941678 JYRNZHGEOAXSEC-OCKHKDLRSA-N 438.372 5.493 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccc(Cl)cc2)c1 169969787 CDHBPXUKCPZIKN-JOCHJYFZSA-N 435.882 5.879 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1cccc(C)c1 169969827 BOUUMRHUBWWHEC-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)C)cc2)[C@@H]1c1cccs1 169983044 OOGALOOXOHGVMV-HSZRJFAPSA-N 447.556 5.971 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2cccs2)s1 169985981 SGKHJAZFFHUKDO-INIZCTEOSA-N 430.938 5.258 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2cccs2)cc1Cl 169986439 LVHMHXGLTNHLJC-NRFANRHFSA-N 448.931 5.974 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2cccs2)ccc1F 169987840 MCLXZWQEFCEZRQ-LJQANCHMSA-N 429.419 5.257 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(O)cc2)cc1 170135661 YYXHBCPYZJCJBS-QHCPKHFHSA-N 435.520 5.090 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccc(C)c2)cc1C 170141041 HXKIYUXIHUHYJT-VWLOTQADSA-N 441.527 5.793 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccnc2)ccc1OCC(C)C 170194316 AYUMYHSQZHKQLP-XMMPIXPASA-N 448.563 5.336 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C(C)(C)C)ccc3C)[C@H]2c2ccncc2)cc1 170204555 POUHGSSHFDZZDC-XMMPIXPASA-N 440.543 5.779 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(O)c(Cl)c1 170219759 BKDSDVKDHQMLLG-OAQYLSRUSA-N 443.927 5.211 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccc2)c1 170228687 WEYIJXNICSZXGL-QHCPKHFHSA-N 447.918 5.830 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2F)ccc1Cl 170249021 JBXOSXBCVYUVSD-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2F)cc1 170249149 RSWFREGWOPSWSN-HSZRJFAPSA-N 431.463 5.397 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2ccccc2C)o1 170305646 HODXEUOKSIDSQS-QMHKHESXSA-N 429.472 5.003 30 10 IKEE C=CCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CCC)c1 170324386 HNTHKEWLKRLVED-FQEVSTJZSA-N 446.330 5.547 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 170467372 KPODCDHREFVWEO-HSZRJFAPSA-N 447.619 6.797 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 170468948 PVUOUNQEPCOJLF-QFIPXVFZSA-N 435.564 5.898 30 10 IKEE C=C[C@@H]1c2ccc(Cl)cc2N(S(=O)(=O)c2ccc(C)cc2)[C@@H]1C(=O)c1ccccc1 248008464 HVLSOJFEZBFVNK-OFNKIYASSA-N 437.948 5.378 30 10 IKEE Cc1cccc(NC(=S)NN=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)c1 254416604 KAYPECWNGRJNIE-UHFFFAOYSA-N 439.540 5.688 30 10 IKEE COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)/C(=C\c3ccc(OC)c(OC)c3)C[C@H]12 254441798 SZBWKZHLROZHJQ-UKPWPSLJSA-N 432.560 5.831 30 10 IKEE N#Cc1ccc(Nc2ccc(I)c(Br)c2)c(Cl)c1 302329257 FYQBSIIRJYFPIP-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE C=C(COC(C)C)[C@H](NCCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 407262388 JFHQSQSNTNSTTB-IBGZPJMESA-N 441.410 5.818 30 10 IKEE Nc1cc(-c2c(F)c(F)c(F)c(F)c2F)ncc1-c1c(F)c(F)c(F)c(F)c1F 514260514 YMLLRUTVMLRWRB-UHFFFAOYSA-N 426.213 5.389 30 10 IKEE CCOc1cc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2sccc2C)ccc1OC 526486777 PDIZCPFCYAENFK-QFIPXVFZSA-N 446.528 5.393 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccc(Cl)c2)cc1OC 526518418 XTWBKCXVUZUGJR-QHCPKHFHSA-N 446.890 5.286 30 10 IKEE CC(C)COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(F)cc2)c1 526518634 ZRFQTEXTFGRUTD-RUZDIDTESA-N 442.490 5.789 30 10 IKEE CCCOc1ccccc1/C=N\n1c(CC)nnc1SCc1c(Cl)cccc1Cl 526814938 MRMKLWXILFHJMJ-CFRMEGHHSA-N 449.407 6.111 30 10 IKEE CC(C)(C)c1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2cccc(Cl)c2)cc1 586252110 SGKRHQNLVPERKP-UHFFFAOYSA-N 438.980 5.905 30 10 IKEE N#Cc1cccc(NC(=O)Nc2ccc(C(=O)Nc3ccc(Oc4ccccc4)cc3)cc2)c1 586721753 AUMOULGTAVDXQA-UHFFFAOYSA-N 448.482 6.247 30 10 IKEE CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@H](C(=O)/C=C/c5ccccc5)[C@@]4(C)CC[C@H]32)C1 642772534 FPGBQRAYOLMBRS-HROQKDADSA-N 446.631 6.780 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 698829968 UBSRCAXARSMTDO-JPYJTQIMSA-N 449.979 5.763 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccccc2)C1 699648992 YBYIOVBREYOPPH-HOYKHHGWSA-N 429.561 5.357 30 10 IKEE CCC[C@@H]1CC[C@H](C#N)[C@H]([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)C1 700361365 ZEGISDNGHKYMSK-IIZSORRHSA-N 446.547 5.334 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1ccc2c(c1)CCO2 710707201 LCNLSULXWZWQEN-SFHVURJKSA-N 429.314 5.390 30 10 IKEE CN(C)/C=C\C(=O)c1cnc(N(C(=O)c2ccccc2)c2cccc(C(F)(F)F)c2)s1 1082839071 XZAXSKIJIDEQSW-QXMHVHEDSA-N 445.466 5.398 30 10 IKEE CC[C@H](C)N(C(=O)c1ccc(F)cc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1859899626 QUQPXEURQMFYLO-JTQLQIEISA-N 425.319 6.448 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc3c(c2)CCCC3)n(-c2ccccc2Cl)n1 1862359392 UHUKKGHOOIFLBY-UHFFFAOYSA-N 431.967 5.886 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@H]2c2ccc(F)cc2)c1 1862430700 PRBFMASNHOFTSJ-HSZRJFAPSA-N 449.909 5.874 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(O)cc1 1862441713 BZLDUMBSJUGPKW-IVZQSRNASA-N 433.891 5.385 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(Cl)c(Cl)c1 1862450444 HLOXSAPUGNWKDB-GOSISDBHSA-N 438.738 5.881 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)cc1Cl 1862452039 SJCMIACEUYJLAW-ZMZPIMSZSA-N 438.738 6.024 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)cc1 1862455894 FNOXIQLQMYVZPU-BPSNYSSFSA-N 443.465 5.569 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2C)cc1 1862475109 DISUGAGIDJJDIO-VWLOTQADSA-N 425.528 5.433 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862488935 LTHGWUBCZXTJNZ-RXFWQSSRSA-N 439.555 6.205 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(O)cc1 1862490508 XIIRPDUQWURYET-GBXCKJPGSA-N 435.564 5.946 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccccc2Cl)ccc1F 1862503001 NLWWXWPDUOTGAR-WAIKUNEKSA-N 449.909 6.127 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CC)cc1 1862553073 GQQGTBQNODZIIK-XMMPIXPASA-N 432.564 5.010 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1c(F)cccc1Cl 1862584891 JXOYMFWWGWQZRX-QGZVFWFLSA-N 442.701 5.774 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(OCCC)c1 1862585926 IAUKPEGMVWMTRG-FQEVSTJZSA-N 446.330 5.547 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C2CCCCC2)cc1 1862601030 UXEUIEAYAXTGDR-DEOSSOPVSA-N 449.547 5.482 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccc2ccccc12 1862666699 KEYRXNTWOSTDGY-IQGLISFBSA-N 427.544 6.340 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@H]2c2ccccc2C)cc1 1862687797 PQBQTPNITZESBO-VWLOTQADSA-N 441.527 5.133 30 10 IKEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2ccc(C)cc2)cc1 1862731587 XMJUOEVIKLTFLZ-VWLOTQADSA-N 449.591 6.333 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccc(C(C)C)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1863029634 RVJYFWGBJVFJHV-UHFFFAOYSA-N 435.527 5.695 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(F)c(C)c3)C2=O)c(C)c1 1863093080 RXPQWAZUIWHTAH-UHFFFAOYSA-N 425.463 5.019 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc3c2CCCC3)=C(c2cccs2)C1=O 1863483072 YIVUMZSBHNGEHL-UHFFFAOYSA-N 436.621 6.179 30 10 IKEE CCCCCCCCNC1=C(c2ccc(C)cc2)C(=O)N(CCCCN(CC)CC)C1=O 1863619978 YAKZKUNIIPUBMW-UHFFFAOYSA-N 441.660 5.147 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(N2CCOCC2)cc1 1866029873 MUTQZNMMBYARFM-UHFFFAOYSA-N 444.704 7.723 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N1CCC[C@H](C(=O)N2CCCC2)C1 1866342160 BHLOPVDGXVKINR-SANMLTNESA-N 448.736 7.109 30 10 IKEE N#Cc1nnn(-c2cccc(C(F)(F)F)c2)c1NC(=O)c1ccccc1-c1ccccc1 1870146933 PHSOYKYYNHQFIU-UHFFFAOYSA-N 433.393 5.077 30 10 IKEE CCCCCCCOc1cn(CCCOC(C)C)c(CSCc2ccccc2)cc1=O 1870251757 UDSNTLOAFUAJQG-UHFFFAOYSA-N 445.669 6.446 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(O)cc2)c(CSc2ccccn2)cc1=O 1870259931 PUAUWXAGGKLISK-UHFFFAOYSA-N 438.593 5.639 30 10 IKEE CCCCCCCOc1cn(CCCOCC)c(CNc2cc(C)ccc2C)cc1=O 1870830089 BJJBXZPOEZULAT-UHFFFAOYSA-N 428.617 5.853 30 10 IKEE CCCCCCCOc1cn(CCCCCO)c(CNc2ccc(Cl)c(C)c2)cc1=O 1870838171 RQVSXFYGZWEXNL-UHFFFAOYSA-N 449.035 5.934 30 10 IKEE C=CCn1cc(OCCOc2ccc(C)cc2)c(=O)cc1CNc1ccc(F)c(Cl)c1 1871213046 JFUXKNMETGEFER-UHFFFAOYSA-N 442.918 5.205 30 10 IKEE CCCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(N(CC)CC)cc1)C3=O 1871347120 ZTHAJFVLYQARLR-JLPGSUDCSA-N 434.580 5.800 30 10 IKEE Cc1c(OC(=O)c2ccc(F)c(F)c2F)ccc2c1O/C(=C\C=C\c1ccccc1)C2=O 1871369937 ASMKWCMLUDSKST-AWUCTABVSA-N 436.385 5.804 30 10 IKEE Cc1c(OCCCOc2ccc(Cl)cc2)ccc2c1O/C(=C\c1cccc(F)c1)C2=O 1871406304 QZOQMJHAXFJBHM-HAHDFKILSA-N 438.882 6.252 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccc(C)cc4)c3C)C2=O)cc1 1871407500 LTRAZYCJWVEQJU-XHFXOGKZSA-N 443.499 5.334 30 10 IKEE CCCCCCCCN=c1[nH]c(=N[C@@H](C)c2ccccc2)[nH]c(=N[C@@H](C)c2ccccc2)[nH]1 1871462155 LEVVLRQGRLBWEK-VXKWHMMOSA-N 446.643 5.256 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1ccccc1 1872428010 XFRCZQMXTUIIGG-QFIPXVFZSA-N 449.016 5.269 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccccc1C(C)C)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872460063 BMLNWIDAYKYLNO-YKSBVNFPSA-N 442.625 5.349 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NS(=O)(=O)c1ccc(Cl)cc1 1872612909 ISHVNSWOHWLPTL-OAQYLSRUSA-N 431.042 5.044 30 10 IKEE CCOc1ccc(CCC(=O)[C@H](C#N)c2nc(-c3ccccc3Cl)cs2)cc1OC 1872764703 VLSPIFAUIWWJKK-KRWDZBQOSA-N 440.952 5.680 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)Cc2ccccc2[N+](=O)[O-])n1 1872786176 ZYFOOCVIAXHWFN-IBGZPJMESA-N 433.533 5.743 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OC(C)=O)cc3)n2)c2ccccc12 1872788089 CQIXKZGCQBBCAQ-OAQYLSRUSA-N 442.496 5.387 30 10 IKEE COc1ccc2[nH]cc(/C=N/n3c(SCc4ccc(Cl)cc4)nnc3C(C)C)c2c1 1873503483 MBDINMHQKVDMBU-BRJLIKDPSA-N 439.972 5.719 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(OCCCCCC)cc1)n2CC=C 1873614896 IFIDMRFKTZLQHA-UHFFFAOYSA-N 433.556 5.427 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C(F)(F)F)c2)cc2c(N3CCC[C@H](C)C3)ncnc21 1873657783 OTIYNBOFVZJUAO-HNNXBMFYSA-N 443.473 5.125 30 10 IKEE CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1ccc(CC)cc1 1874203328 WMIDCNKLXTXMFL-WGOQTCKBSA-N 436.625 6.020 30 10 IKEE CCCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1cccc(OC)c1 1874232827 SOMJGBVBHOCOJP-NLRVBDNBSA-N 430.577 5.609 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1ccc(N(C)C)cc1 1874252542 RPZRVEMPYAKCMX-YZSQISJMSA-N 449.624 5.215 30 10 IKEE Cc1ccccc1/C=N/n1c(CCOc2ccccc2)nnc1SCc1ccc(F)cc1 1874344684 AKZWLRRMNFPGBF-WPWMEQJKSA-N 446.551 5.522 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccccc2)cc1C 1874357303 ZYSQWUMACZUEEU-JVWAILMASA-N 430.552 5.799 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2cccc(Cl)c2)cc1C 1874358443 IEGPDJICBXSRQB-JVWAILMASA-N 447.007 6.314 30 10 IKEE O=[N+]([O-])c1cccc(/C=N/n2c(CCc3cccs3)nnc2SCc2ccccc2)c1 1874371747 OQIDCAVOYFTTHM-HZHRSRAPSA-N 449.561 5.208 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccccc1 1874376244 LZTOXLRZJPGBHX-CVKSISIWSA-N 436.943 5.836 30 10 IKEE COc1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCc2cccc(C)c2)cc1 1874378622 QXJMNMHYSCOUOK-JVWAILMASA-N 446.551 5.500 30 10 IKEE CCCSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1cccc(Br)c1 1874390565 TXMRATMERDWWNO-HYARGMPZSA-N 429.387 5.324 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@H]3CCCO3)n2/N=C/c2ccc(C(C)(C)C)cc2)c1 1874446122 TVTQGQHCWRBYBU-PVPASAESSA-N 448.636 6.218 30 10 IKEE C=C(C)CSc1nnc(CCCC)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874476176 IMRBEOKRPUDACU-PCLIKHOPSA-N 434.565 5.390 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(Br)cc1 1874487415 LYOPZEFDHGRSRL-FSJBWODESA-N 447.377 5.553 30 10 IKEE CC(C)Cc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1cn(C)c2ccccc12 1874491316 LEZYNEIZJZNUAM-DHRITJCHSA-N 438.000 5.796 30 10 IKEE CCOc1cccc(/C=N/n2c(CC(C)C)nnc2SCc2ccc(Cl)cc2)c1 1874491433 QORRMFCGQLEVBW-ZVHZXABRSA-N 428.989 5.703 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C(C)C)cc1 1874517144 MOPHSDJMSWOCAG-WYMPLXKRSA-N 433.408 6.445 30 10 IKEE COc1cccc(/C=C/C(=O)c2cccc(Cl)c2)c1OCC(=O)N[C@H](C)c1ccccc1 1874577357 JXNPTRJDVJGBGK-LGHUBQEGSA-N 449.934 5.501 30 10 IKEE C=CCOc1c(OC)ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1Br 1874596281 LAXDDOIGGRJAKA-VMPITWQZSA-N 442.136 6.225 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OCc1ccccc1Cl 1874616707 ORRRNGGVZZQFBO-NTCAYCPXSA-N 432.947 6.861 30 10 IKEE C=CCOc1c(Cl)cc(/C=C/C(=O)c2ccc(OCCCCCCC)cc2)cc1OC 1874625678 QSYAOTKIBRIELM-XNTDXEJSSA-N 442.983 7.159 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1)Nc1nccs1 1874637617 JIDNPABFZPTDHF-FPYGCLRLSA-N 433.316 5.364 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cccc(OC(=O)c3ccccc3C)c2)c1 1874712659 ZRVUCRFQMPXOGH-FYWRMAATSA-N 430.500 5.908 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OC(=O)Cc1ccc(C)c(C)c1 1874713907 UDCNLCZOOAHZDN-FMIVXFBMSA-N 428.528 5.973 30 10 IKEE COc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(C)c(C)c3)c2)cc1[N+](=O)[O-] 1874714467 XJMGKNSQHLYPSO-DHZHZOJOSA-N 431.444 5.336 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)COc3c(C)cccc3C)c(OC)c2)c1 1875104415 WJHQEYDCVREZAP-ACCUITESSA-N 446.499 5.201 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@@H]2CCCO2)c(Br)c1)c1cccc(Cl)c1 1875121582 XCKIBAKHHBLJPN-FNQPIQQGSA-N 435.701 5.083 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OC(=O)c1ccccc1Cl 1875127526 KHRKQWIETRRNMQ-VAWYXSNFSA-N 427.283 6.117 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)C(F)(F)F)c(Br)c2)ccc1F 1875141766 UCYKDCDDSXPKDU-QHHAFSJGSA-N 431.179 5.260 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)cc1 1875148440 DNAPJXYIUAKAPY-MKMNVTDBSA-N 428.484 5.828 30 10 IKEE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2)cc1 1875157718 LQUCYPOVHVNOND-LDCDQMDXSA-N 432.491 6.218 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc(Cl)c1OC(=O)CC 1875160896 OIKCVBLJAAVQKP-PKNBQFBNSA-N 444.955 6.256 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)C(C)C)c(Br)c1 1875184187 MGLHJVGGXOXMHY-DHZHZOJOSA-N 443.381 6.513 30 10 IKEE C=C(F)C[C@H](NCCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875670949 GPHAPBQPDOGJSO-LBNVMWSVSA-N 449.566 6.120 30 10 IKEE CCCC[Sn](CCCC)(CCCC)c1cc(Cl)cc(C#N)c1 1880630190 OFHJKEDVDJSOHY-UHFFFAOYSA-N 426.620 6.268 30 10 IKEE COC(=O)c1cc(N(C)C(=O)OCC2c3ccccc3-c3ccccc32)cc(N=[N+]=[N-])c1C 1887521401 JXCLWICDPOBDMM-UHFFFAOYSA-N 442.475 6.109 30 10 IKEE N#Cc1cncc(C2=CCN(C(=O)c3cc(-c4ccc(F)cc4)nc4ccccc34)CC2)c1 1890828572 XRCJJMFQUQTLPT-UHFFFAOYSA-N 434.474 5.237 30 10 IKEE Cc1c(C(=O)N2CCC[C@@H](COc3cc(C#N)ccn3)C2)sc2ccc(Cl)cc12 1891236087 RSERDQLOHQNURO-MRXNPFEDSA-N 425.941 5.061 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Cl)cc1Br 1898823218 DLKHHLXDKWZBCY-ZWKOTPCHSA-N 443.813 5.450 30 10 IKEE C=C(COCc1ccccc1)[C@H](NC)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 1922107264 KNKSPSVFBSTTQR-QFIPXVFZSA-N 428.598 5.075 30 10 IKEE CCCCCCCCC[C@H](N)c1c(Br)sc(Br)c1Cl 1923074839 SDXCQDOOZYJUJB-JTQLQIEISA-N 431.665 7.067 30 10 IKEE C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2037937296 XKPWKEVKEPSYII-PMACEKPBSA-N 437.559 5.618 30 10 IKEE CC(C)(C)OC(=O)NCC[C@@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C1 2038869407 MTMODPXMHNCBCO-UQBPGWFLSA-N 449.636 5.924 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)CC[C@@H](C)C[C@H]1OCc1ccccc1 2043824397 NHVMBKCEUQVTAQ-HJCWDVFASA-N 437.624 5.264 30 10 IKEE N#Cc1c(-c2c(Cl)cccc2Cl)noc1C=CNc1ccccc1-c1ccccc1 2053535933 FVARQXMNMCDWDV-UHFFFAOYSA-N 432.310 7.270 30 10 IKEE N#C[C@]1([C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCCCO1 2071358460 SUOJTSAOLMBCMJ-SXOMAYOGSA-N 429.516 5.341 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1c1cc(Cl)n2nc(C3CCCCC3)c(C#N)c2n1 2081420186 JBAQPDBBOQYADF-SFHVURJKSA-N 443.979 5.764 30 10 IKEE CCCCCCCCCCNC[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1 2084725596 QATCMEXRXPXFPW-VWLOTQADSA-N 445.692 5.838 30 10 IKEE C=CCCCCCCCC[C@H](NC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2086261694 NPMCMRKOAJJOAV-ZKMPZPQNSA-N 446.676 6.380 30 10 IKEE C#CCN(C[C@H](NCCC)c1c(Br)ccc(Cl)c1F)C(=O)OC(C)(C)C 2098959136 NESWQNMPXTVAPS-HNNXBMFYSA-N 447.776 5.153 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(O)CN(Cc2ccccc2)C2(CCCC2)C1 2100072542 WWMVUQNUVAHNDH-YTMVLYRLSA-N 448.651 5.077 30 10 IKEE CC(C)[C@H](C)[C@@H](CNc1cc(Br)cc(F)c1C#N)NC(=O)OC(C)(C)C 2107438035 GPEIBVOYAWOOQT-YVEFUNNKSA-N 428.346 5.057 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(F)c(Br)c(F)c1 2142155626 LGBXXTOJEVMBFZ-NVXWUHKLSA-N 433.337 5.237 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCC(Nc3cc(Br)cc(C#N)c3)CC2)C1 2162304322 PFZMBGXGCCSSTQ-UHFFFAOYSA-N 434.378 5.302 30 10 IKEE CC(C)(C)OC(=O)N1CCc2sccc2[C@@H]1CNc1ccc(C#N)c(Br)c1 2194007137 XCEITCQZRKBXJK-KRWDZBQOSA-N 448.386 5.329 30 10 IKEE C=C(c1ccccc1)[C@H](NCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2197140578 VVOSXIXHOXZNNW-FQEVSTJZSA-N 431.374 6.160 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1sc(C)c(C)c1Br 2221826134 FOWYQGBLUHIIFC-ZBFHGGJFSA-N 429.424 5.085 30 10 IKEE Cc1sc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)c2ccccc2)c1C 2267155071 OJMYQTYHOIXFCL-UHFFFAOYSA-N 447.409 5.511 30 10 IKEE CC(C)(C)C#CC=CC[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2268723510 VMBGQYVFALMLNZ-HHHXNRCGSA-N 440.583 6.874 30 10 IKEE C=C(Cl)C[C@@](C)(OCCC(=O)O)c1cc(Br)c(Br)s1 2275320011 IGHVAJFLSCVCQX-GFCCVEGCSA-N 432.561 5.122 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(C#N)cc2Br)C[C@@H]1C(F)(F)F 2279227042 DZYPEJHFQZHXTR-IUODEOHRSA-N 448.283 5.063 30 10 IKEE C[C@H](c1ccc(NC(=O)OC(C)(C)C)cc1)[C@H](N)C#Cc1cccc(Br)c1 2296216173 IBGOKDDVFMSHBW-FOIQADDNSA-N 429.358 5.279 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](CC(=O)C#Cc1cccc(Br)c1)c1ccccc1 2296224918 PDTNBJPFHWTEMP-FQEVSTJZSA-N 428.326 5.026 30 10 IKEE C=CCN1C(=O)C(=Cc2cccc(OCCCOc3cc(C)cc(C)c3)c2)SC1=S 2297624722 HEGQODACNHCOED-UHFFFAOYSA-N 439.602 5.539 30 10 IKEE C#CCOC(=O)C=Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 2314013957 HUTAAARNVKCQLN-UHFFFAOYSA-N 425.695 5.424 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)c4ccc(Br)cc4)ccc3C2=O)c1 2314437522 ONJLXHPPHUQCDU-UHFFFAOYSA-N 435.273 5.593 30 10 IKEE O=C1C(=Cc2cccc(F)c2)Oc2cc(OCc3c(F)c(F)c(F)c(F)c3F)ccc21 2314437779 WKMHMGILORXXHV-UHFFFAOYSA-N 436.307 5.716 30 10 IKEE O=C1C(=Cc2cccnc2)SC(=Nc2nc(-c3ccccc3)cs2)N1c1ccccc1 2314543796 MKHLQEPMJQEMLK-UHFFFAOYSA-N 440.553 6.014 30 10 IKEE CCCN[C@@H](C#CC1CCC1)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2315779643 RUIIULRKZFJXOF-IGKIAQTJSA-N 440.628 5.002 30 10 IKEE COc1cc(C=NNc2ccc(Br)cc2)ccc1OCc1ccc(Cl)cc1 2321717992 DTMGXCXGDWATBP-UHFFFAOYSA-N 445.744 6.136 30 10 IKEE O=C1C(=Cc2c(Cl)cccc2Cl)Oc2c1ccc1c2CN(Cc2ccccn2)CO1 2321968374 WBHWPCLOQDETOP-UHFFFAOYSA-N 439.298 5.357 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccccc1F)O3)CN(Cc1cccc(Cl)c1)CO2 2322214275 KSDFOXHILMQQSB-UHFFFAOYSA-N 435.882 5.756 30 10 IKEE CCc1ccc(NC(=O)COc2ccccc2C=CC(=O)c2ccc3ccccc3c2)cc1 2322312470 CAMITDJRKDNGMC-UHFFFAOYSA-N 435.523 6.316 30 10 IKEE CCCCCCCCN1COc2c(cc3c(c2C)OC(=CC=Cc2ccccc2)C3=O)C1 2322415649 VFTRGWJEKHRQRD-UHFFFAOYSA-N 431.576 6.680 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(F)cc2F)c1OCC(=O)Nc1ccc(F)cc1 2322502552 FXDOGXKKHZUXKA-UHFFFAOYSA-N 441.405 5.026 30 10 IKEE O=C(C=Cc1ccccc1OCc1ccccc1Cl)c1ccc(Oc2ccccc2)cc1 2322806865 BDGHOSDZEDTDTL-UHFFFAOYSA-N 440.926 7.607 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccc(C)c(C)c2)cc1C 2322981347 VGHPZCMFWWVFMG-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2cccc(OCC(=O)NCCC)c2)cc1 2323226314 VNTKKYIZZMUPQY-UHFFFAOYSA-N 437.580 5.837 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc1OCc1cccc(F)c1 2323295700 FKMBAEPMNZPCQK-UHFFFAOYSA-N 440.898 6.280 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2cccc(C=CC(=O)c3c(C)cc(C)cc3C)c2)c1 2323302981 UUYBFLNTHOQRKG-UHFFFAOYSA-N 427.544 6.142 30 10 IKEE CCCOc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2OC)C3=O)c1 2323831815 HDHMTZKHQRIQAK-UHFFFAOYSA-N 444.483 5.628 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1OCC 2324257515 IKPJAAVTKCDHBR-UHFFFAOYSA-N 445.506 5.287 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2)C3=O)cc1 2324478163 ASHHAVDMLZFNMC-GOSISDBHSA-N 427.500 5.580 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OCC(=O)NCc3ccccc3)c(Cl)c2)c(C)c1 2324545898 YTRTWZJOLSNTKC-UHFFFAOYSA-N 447.962 5.857 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3nc(O)c4ccccc4n3)cc2)cc1Cl 2324607143 HTRBHFBTCXGYFI-UHFFFAOYSA-N 446.890 5.473 30 10 IKEE COC(=O)c1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc1 2324651330 RZVIZQWJSWGACG-OAQYLSRUSA-N 430.529 5.610 30 10 IKEE COc1ccc(OCCCOc2ccc3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)cc1 2324697287 UFKOGUPFHFAOGO-UHFFFAOYSA-N 447.443 5.068 30 10 IKEE COc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C)cc4Cl)ccc3C2=O)cc1 2325288427 APCVXWMRINGGIQ-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE CCCOc1cccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2)c1 2325486003 WQUYQEAGLPEPGW-UHFFFAOYSA-N 442.588 5.832 30 10 IKEE CCOc1cccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2F)c1 2325489124 KMDPHALCDXWFDL-UHFFFAOYSA-N 446.551 5.581 30 10 IKEE COc1ccc(CCOc2ccc3c(c2C)OC(=Cc2ccc(OC)cc2OC)C3=O)cc1 2325631418 LRHLKCWWWNVYDQ-UHFFFAOYSA-N 446.499 5.259 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2OC)cc1OC(=O)c1ccc(F)c(F)c1F 2325723106 FBFMWHHHJIKIJQ-UHFFFAOYSA-N 442.389 5.236 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1OC(=O)c1ccccc1F 2325756492 NYBAQUYFCCMGII-UHFFFAOYSA-N 432.491 6.183 30 10 IKEE CCCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccccc1O 2326021196 IXNRKRYRHKRJSC-UHFFFAOYSA-N 430.961 5.033 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1ccccc1Cl 2326339766 UBLRFJLEKJHVTN-UHFFFAOYSA-N 441.000 5.666 30 10 IKEE C=C(C)CSc1nnc(COc2c(C)cccc2C)n1N=Cc1ccc(OCC)cc1 2328556634 NOPABFUXDXEYNE-UHFFFAOYSA-N 436.581 5.423 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3C)n2N=Cc2cccn2C)c(C)c1 2328880177 ABZNWUQRIVQZJX-UHFFFAOYSA-N 445.592 5.295 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(F)cc3)n2N=Cc2ccccc2O)cc1 2329796295 VENMTGOPMYOZTN-UHFFFAOYSA-N 432.524 5.197 30 10 IKEE CCOc1cccc(C=Nn2c(Cc3ccc(C)cc3)nnc2SCc2ccccc2)c1 2329995135 ZEHCSSGJRLPFGW-UHFFFAOYSA-N 442.588 5.751 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3F)n2N=Cc2ccccc2O)cc1 2329995302 VWKFOLWJUDDQGT-UHFFFAOYSA-N 432.524 5.197 30 10 IKEE Fc1ccc(CSc2nnc(CC3CCCCC3)n2N=Cc2c[nH]c3ccccc23)cc1 2330233060 PFZIVKXRIIHPKM-UHFFFAOYSA-N 447.583 6.196 30 10 IKEE CCCOc1cccc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccccc2)c1 2330272921 TYFKBFXWPHHVTR-UHFFFAOYSA-N 448.636 6.364 30 10 IKEE Cn1cccc1C=Nn1c(CC2CCCCC2)nnc1SCc1cccc2ccccc12 2330279509 SKJDDVCZHAJPRM-UHFFFAOYSA-N 443.620 6.067 30 10 IKEE CCc1ccc(C=Nn2c(Cc3cccs3)nnc2SCc2ccc(C)cc2)cc1 2330316607 PGMDMZVZCRQLSD-UHFFFAOYSA-N 432.618 5.976 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC(C)C)NC(=O)C=Cc1cccc([N+](=O)[O-])c1 2330622016 XGNJLGWOKSRTPZ-HSZRJFAPSA-N 445.604 5.396 30 10 IKEE COc1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2-c2ccccc2)c(OC)c1 2330645392 QKPQKRJCRYZGSE-UHFFFAOYSA-N 444.560 5.445 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c(OC)c2)cc1 2330707565 ZWQSBAPLTWOUNZ-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Br)cc2)ccc1OC(=O)CCCSC 2330896244 QVYQJNIYUFQQMB-UHFFFAOYSA-N 449.366 5.402 30 10 IKEE Clc1ccc(CSc2nnc(C3CCCC3)n2N=Cc2ccncc2)cc1Cl 2331092972 KNIDVZHYOJHQOF-UHFFFAOYSA-N 432.380 5.812 30 10 IKEE CCCCCCC(=O)Oc1c(OC)cc(C=CC(=O)c2cccc(Cl)c2)cc1OC 2331122619 LRBVQNCKVAKIKH-UHFFFAOYSA-N 430.928 6.129 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cccc(Cl)c3)cc2OC)cc1 2331136116 MSJGUJSNOJYGHN-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)c1cccc(F)c1 2331138199 MIIBWMAXECBJTA-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)CCCSC 2331138365 WBBDJDIXGGZAFN-UHFFFAOYSA-N 439.360 5.947 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)C1CCCC1 2331150199 ZHXIZRSOQKWDFN-UHFFFAOYSA-N 433.331 6.384 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2-c2ccco2)cc1 2331224874 YIZKHKGLIFQWGM-UHFFFAOYSA-N 436.968 6.489 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(C3CCC3)n2N=Cc2ccc(Cl)cc2)cc1 2331503953 ZKHOMFRQRHIIAE-UHFFFAOYSA-N 427.917 5.282 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2C2CC2)cc1OCC 2331717282 RDWAKMAYWQORAS-UHFFFAOYSA-N 436.581 5.436 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3)c(OC)c2)c(OCC)c1 2331741086 OITNJTRZCSAMQQ-UHFFFAOYSA-N 446.499 5.608 30 10 IKEE CC[C@@H](CN(CC)C(=O)OC(C)(C)C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339606927 XKUZXBSJOVKVFZ-IQGVVSCOSA-N 446.397 5.141 30 10 IKEE C=CCC(CC=C)[C@@H](NCCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2364012515 NXRIDMFEGLKTJE-HXUWFJFHSA-N 437.422 6.605 30 10 IKEE Cc1cc(Br)c(CNc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)s1 2365062840 QNIRRXLSDWCIAB-CMDGGOBGSA-N 435.196 5.471 30 10 IKEE Cc1[nH]c2ccccc2c1/C=N/c1cccc2c(/N=C/c3c(C)[nH]c4ccccc34)cccc12 2895051 ALKRRAUKSVTXTB-LTTYKRRRSA-N 440.550 7.920 30 10 IKEE CCCOc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccc(F)cc1)C2 20881802 ITNAQSVZTIWSOL-VKGTZQKMSA-N 442.534 6.594 30 10 IKEE Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc3ccccc3c2)cc1 21219911 DJQQAKIYSPZZMV-AYWVHJORSA-N 430.551 7.128 30 10 IKEE CCn1nc(C)c(CN/C(=N/C(=O)c2ccccc2C)Nc2ccc(Cl)cc2C)c1C 32972226 FNYCMTIVGLOWCM-UHFFFAOYSA-N 437.975 5.188 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O)c1ccc(Br)cc1 33812307 ZJFFYKDURQWVHW-JAIQZWGSSA-N 439.236 5.424 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C/C=C\c2ccccc2)C3=O)cc1OC 33934576 IOKJFPSQDPZDEG-LIYBSYTOSA-N 428.440 5.095 30 10 IKEE CCOc1ccccc1/C=C/C(=O)c1ccc(OC(=O)c2ccc(C(C)(C)C)cc2)cc1 34954117 GMLVSDPHYLZELV-XMHGGMMESA-N 428.528 6.498 30 10 IKEE C=CCC[C@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1 36307706 VHSWOMYBSSYUFI-QFIPXVFZSA-N 437.559 5.558 30 10 IKEE COc1ccc(COc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2Cl)C3=O)cc1 38321064 PTWCWQYAMICHQV-YVNNLAQVSA-N 427.283 6.197 30 10 IKEE C=CCN(CC=C)C(=O)Cn1c(COc2ccc(Cl)cc2Cl)nc2ccccc21 40232756 BNQJEOGTHITGOF-UHFFFAOYSA-N 430.335 5.123 30 10 IKEE CC(/C=C1\S/C(=N/N=C\c2ccc(O)cc2)N(Cc2ccco2)C1=O)=C\c1ccccc1 47137389 GWPCDCHUSNSEHY-VNXZMMBDSA-N 443.528 5.438 30 10 IKEE Cc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)c(C)n1-c1cccc(Cl)c1 59105807 JSUPRHXLRZDYIG-RGVLZGJSSA-N 425.916 5.778 30 10 IKEE COc1ccc(/N=C(/Nc2ccc(OC)c(OC)c2)SCc2ccccc2)cc1OC 59449715 XDGJQRRZXALRRF-UHFFFAOYSA-N 438.549 5.754 30 10 IKEE Cn1ccnc1Sc1ccc(/C=N/c2cccc3c2oc2ccccc23)cc1[N+](=O)[O-] 59462306 SHKKYFZNBPYFSJ-AFUMVMLFSA-N 428.473 6.130 30 10 IKEE CCCCCCCC(=O)NC(=S)Nc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1 59927286 OTZGQKXOTORPQZ-GOSISDBHSA-N 425.598 5.351 30 10 IKEE CCCCCCCCOc1cc(C=O)c(OCCCCCCCC)cc1Br 100313480 GZBWYDQXDTUPJS-UHFFFAOYSA-N 441.450 7.740 30 10 IKEE CCO/C(=N\C(=N\S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccc(C)cc1 100486710 TZCUUCVASQVFQS-NTRDKDAESA-N 440.952 5.267 30 10 IKEE CCCCCCCCCCCCn1c([C@@H](CC)Oc2cccc(C)c2)nc2ccccc21 101261514 DAHKONQINGSISA-MUUNZHRXSA-N 434.668 8.796 30 10 IKEE CC/N=C1\S[C@@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)C(=O)N1C1CCCCCC1 103892040 HSUVZLRXKILBAM-DVCONVQISA-N 442.412 5.365 30 10 IKEE CC(C)(C)c1ccc(/C=C2/Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc3C2=O)cc1 107072193 ADNCYJADEJSTPG-YDZHTSKRSA-N 443.455 5.728 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3ccc(C)cc3)cs2)cc(Br)c1OC 169940390 JNTIMMCJOIRISJ-JJFYIABZSA-N 446.370 5.734 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1cccs1 169987893 VPTPYNKIGXOWHE-HXUWFJFHSA-N 441.455 5.126 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1ccc(F)cc1)c1cc2ccccc2o1 170064296 RYCMCQKHHKDXKV-QFIPXVFZSA-N 449.384 5.633 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)[C@H]1c1ccco1)c1cccc(Cl)c1 170095330 IUNJODXIXCOUEZ-SFHVURJKSA-N 447.796 5.735 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1cccs1 170155880 KKGJIGHBPVRIAP-JOCHJYFZSA-N 449.547 6.276 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccn2)ccc1OC(C)C 170169229 QUXPAYGJBWZREP-QHCPKHFHSA-N 446.478 5.099 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@H]2c2ccccn2)cc1 170170950 JXUACUUZGWEIEE-DEOSSOPVSA-N 442.515 5.216 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC(C)C)c3)[C@@H]2c2cccnc2)cc1 170189168 AYDJWSQKNBQWJS-DEOSSOPVSA-N 442.515 5.208 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1ccccc1 170223993 FTOZVTVMOKKDAP-QHCPKHFHSA-N 427.500 5.403 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccccc1)c1ccc2ccccc2c1 170226622 MVWPGHGAJZZZCB-DEOSSOPVSA-N 439.898 6.276 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1C 170226624 DLOVKKIPKBLENB-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccc(F)cc1)c1cccc2ccccc12 170241973 GTPDYUVDZOTDGC-XMMPIXPASA-N 438.458 5.152 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@@H]1c1ccccc1F 170252530 NJJWPXOPTDTSHP-QFIPXVFZSA-N 439.527 5.510 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)c(OC)cc3C)[C@H]2c2ccco2)cc1 170283469 YLSAMDMWSLKAHQ-HSZRJFAPSA-N 431.488 5.250 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)=C(O)C(=O)N1c1ccc(F)cc1 170314059 QBWGTSIKUBEDGH-SZNDQCEHSA-N 449.503 5.302 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2sccc2C)cc1C 170317617 MKIZRRYAQONCSW-OAQYLSRUSA-N 439.577 5.675 30 10 IKEE CC1(C)OB(c2cc(Oc3cccc(OCc4ccccc4)c3)ccc2C=O)OC1(C)C 202057793 CJJGIDBBKRTNLT-UHFFFAOYSA-N 430.309 5.170 30 10 IKEE O=C(/C=C\Sc1c(Cl)c(Cl)nc(Cl)c1Cl)c1cccc2ccccc12 210071855 YYHDSVDPEZBUNW-HJWRWDBZSA-N 429.155 7.337 30 10 IKEE CCOc1ccc2c(c1)O/C(=C/c1ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc1)C2=O 210087865 LULFBZDLVYTAOI-PCLIKHOPSA-N 442.511 6.218 30 10 IKEE COc1ccc(C=N/N=c2\[nH]c(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cs2)cc1 254294198 HMALZEIAJQUTSL-UHFFFAOYSA-N 437.609 5.987 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2)SC(=Nc2ccccc2)N1Cc1cccc(Cl)c1 254398905 NPFOFZARFDOCEY-RNJGGXIZSA-N 439.367 6.798 30 10 IKEE CCc1ccc(-c2nnc(SC(=NNc3ccccc3)C(=O)c3ccccc3)o2)cc1 254472643 SLPRAXFPBGZDFL-UHFFFAOYSA-N 428.517 5.700 30 10 IKEE CCCCCCCCCCC#CCCOC(=O)c1ccc(C=Nc2ccc(O)cc2)cc1 254762933 UHEMEFDDJQVIDO-UHFFFAOYSA-N 433.592 7.224 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2cccc3ccccc23)[C@@H]1c1ccccc1C(=O)O 526610753 PREOVOAFDXFVTG-VWLOTQADSA-N 446.462 5.467 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccc(C(C)C)cc2)c1 526808465 KIBQOELAFQWWAW-VEILYXNESA-N 440.616 6.475 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1cccc(OC(C)C)c1 526809295 IEKJPXHTHPMXEZ-QQXSKIMKSA-N 436.625 6.199 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccccc1OCC 526821850 NWGCNIALLQUKHB-ONUIUJJFSA-N 430.577 5.957 30 10 IKEE CCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1c(C)n(C)c2ccccc12 526822832 OIZHMSSVWXZCEB-YSMPRRRNSA-N 428.565 5.077 30 10 IKEE N#Cc1cccc(C(=O)Oc2ccc(NC(=O)N(Cc3ccccc3)c3ccccc3)cc2)c1 586517811 LGDSSHCXLKVMGU-UHFFFAOYSA-N 447.494 6.016 30 10 IKEE O=CC1(Oc2c(Br)cc(Br)cc2Br)CCCCC1 692253567 MNODBYFJXPEHQE-UHFFFAOYSA-N 440.957 5.255 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@](C)(C#N)Cc1cccc(F)c1 698448929 ZIZJAVUFSGNETC-OAQYLSRUSA-N 433.321 5.855 30 10 IKEE CCCCCCC[C@@H](C(N)=O)N(C(=O)OC(C)(C)C)c1ccccc1Br 698490232 SPWHLFULDMRXER-KRWDZBQOSA-N 427.383 5.405 30 10 IKEE COc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)c(Br)c1 698855442 OOLUBHSSYKJTDW-IBGZPJMESA-N 437.378 5.982 30 10 IKEE CCC(C)=NNc1nc2cc(C)c(NC(=O)c3ccc(Cl)c(Cl)c3)c(C)c2s1 1081377938 GSHWLMZZYVARPC-UHFFFAOYSA-N 435.380 6.670 30 10 IKEE CCOC(=O)C(=NNc1ccccc1C)Sc1nc2ccccc2n1-c1ccccc1 1084193946 PQLFQYFCHSCAOO-UHFFFAOYSA-N 430.533 5.415 30 10 IKEE Cc1cc(C)c(N/C(=N/Cc2ccc(C(F)(F)F)cc2)N[C@H]2CC[C@H](N)CC2)c(C)c1 1088663412 ZMCALSGHMAJVKM-MEMLXQNLSA-N 432.534 5.458 30 10 IKEE C=CCN(CC(=O)Nc1nc(-c2ccccc2)c(C(C)C)s1)Cc1cccc(C#N)c1 1167251717 HHHAHSHLXCGLPP-UHFFFAOYSA-N 430.577 5.432 30 10 IKEE O=C1/C(=C\c2ccc(O)cc2)S/C(=N/N=C/c2ccc(Cl)cc2)N1Cc1ccco1 1615301435 MQYMPGSWNVOAJK-SGOVDTOHSA-N 437.908 5.145 30 10 IKEE O=C1/C(=C/c2ccc(Br)cc2)SC(=Nc2ccccn2)N1C1CCCCC1 1772731962 STOHCLFTUZVWCH-ZUGBYVCQSA-N 442.382 5.781 30 10 IKEE O=C(O)c1cccc(N=C2S/C(=C/c3cccc(Cl)c3)C(=O)N2c2ccccc2)c1 1772734499 FSPIEJIBMLQAQA-UFDKDONYSA-N 434.904 5.847 30 10 IKEE CCCCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNc2ccc(F)cc2)CCC3)cc1 1772750079 WYZHFTPBRGQCAN-UHFFFAOYSA-N 449.526 6.311 30 10 IKEE C/C(C=NN=C1S/C(=C\c2ccccc2C)C(=O)N1Cc1ccco1)=C/c1ccccc1 1772759767 YBZVHAPSXKDDKT-DORGKADQSA-N 441.556 6.150 30 10 IKEE CCOC(=O)Nc1cccc(C(=O)OCC)c1N(C)c1ccc(-c2ccccc2C#N)cc1 1857523235 KDKLVPQWCDGORT-UHFFFAOYSA-N 443.503 5.738 30 10 IKEE C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C/c3cccc(Br)c3)C[C@@H]12 1857657189 OMJIZRMQBBHMOY-JMZKXKJLSA-N 441.453 7.444 30 10 IKEE Cc1ccc2nc(-c3ccc(NC(=O)C(=O)/C=C/c4ccc(F)c(F)c4)cc3)sc2c1 1860725875 KRKKNDUKUVFASK-NYYWCZLTSA-N 434.467 5.771 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(F)(F)F 1861156262 ZIELPMDANZNXRA-FQEVSTJZSA-N 439.522 5.014 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)c1ccc(Br)cc1 1861336598 MGVZSDILSXUPBV-HXUWFJFHSA-N 439.438 5.605 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(Cl)ccc1OC 1861541761 IINZVUMCCMTEPE-JOCHJYFZSA-N 445.003 5.166 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C)cc2)cc1 1862389248 BFFBZUXUGUJQNR-RUZDIDTESA-N 440.543 5.511 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccccc1F 1862401435 ASWFFCNBMVOYML-QFIPXVFZSA-N 425.500 5.301 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCCc2ccccc2)c1 1862429745 UFPKBNLUQSZUCZ-XMMPIXPASA-N 445.946 5.860 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(F)cc1)c1ccccc1Cl 1862430356 ISHJVUXPTLSDEV-NRFANRHFSA-N 439.845 5.397 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862474512 PNTHUDSIWZKANO-RUZDIDTESA-N 431.576 6.249 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CC2)cc1OCC 1862484549 QSDSUADKTMVZMW-XMMPIXPASA-N 449.547 5.313 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2ccc(OCC)cc2)cc1 1862519566 NEKWXKZALMFBBD-GAJHUEQPSA-N 437.536 5.251 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(Cl)cc1Cl 1862539507 TUYVYPKVNHIDJU-HXUWFJFHSA-N 432.347 5.934 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@H]2c2cccc(OCc3ccccc3)c2)cc1 1862542317 GESPJOJDOKWARQ-VWLOTQADSA-N 441.527 5.426 30 10 IKEE CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2[C@H](C)CC)ccc1O 1862550335 GFPKOWIWEJKXGS-GYCJOSAFSA-N 449.547 5.047 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccccc1Cl 1862561075 PQKLFIMODBLEGI-GCJKJVERSA-N 440.971 5.859 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C(C)C)cc1 1862586064 LIDWRALCLDHEBU-FQEVSTJZSA-N 448.346 5.769 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862590830 RASCZMKDSVNYQG-BXKMTCNYSA-N 427.500 5.294 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(Cl)cc1Cl 1862622245 CHNOMBBWOPNROM-FQEVSTJZSA-N 444.358 6.055 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2cccc(F)c2)cc1F 1862637854 NUUMCDNBCGOIIO-BANJIEJESA-N 441.474 5.130 30 10 IKEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 1862668271 VDGWIBMSBUUFMR-HXUWFJFHSA-N 448.346 5.342 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccc(Br)c1 1862669712 CODDDALRHKEPMP-FQEVSTJZSA-N 440.337 5.337 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccccc2Cl)c1 1862701102 WJOAJSMIQKYHEF-GNSUPJDDSA-N 439.939 5.506 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCCC)=C(c2ccccc2OC)C1=O 1863766587 QGEOOJLPSZZYBE-UHFFFAOYSA-N 428.617 5.696 30 10 IKEE C[C@H]1c2ccc(C#N)n2CCN1C(=O)/C=C/c1ccc(OCc2ccccc2Cl)cc1 1866309909 HZIHSCILOBBGFB-RORWEDLISA-N 431.923 5.209 30 10 IKEE CCCCCCCCCCNC(=O)CCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 1868195253 VXBQVRBANHYWPC-OAQYLSRUSA-N 443.657 5.997 30 10 IKEE Cc1ccc2nc3c(cc2c1)CCN3c1cc(Nc2cccc(C#N)c2)nc(C(C)(C)C)n1 1868332683 INWWNKLKLLDUKF-UHFFFAOYSA-N 434.547 5.940 30 10 IKEE C[C@@H](c1cccs1)N1CCN(c2cc(Nc3ccc(C#N)cc3)nc(C(C)(C)C)n2)CC1 1868356383 XNDOYEBSIWWVCA-SFHVURJKSA-N 446.624 5.334 30 10 IKEE Cc1ccc(C)c2c1C[C@H](C)CN2c1cc(Nc2ccccc2C#N)nc(-c2cccnc2)n1 1868572115 FFSMXEBZZPZSFJ-SFHVURJKSA-N 446.558 6.101 30 10 IKEE C=CCN(CC=C)c1cc(N2[C@H](Cc3ccccc3)COCC2(C)C)nc(C(C)(C)C)n1 1869176247 KKZVLUYEBNQPRK-JOCHJYFZSA-N 434.628 5.179 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N(Cc2ccccc2)Cc2ccccc2)nn1C 1870005564 SKCCCFYRLHJORG-UHFFFAOYSA-N 433.600 5.711 30 10 IKEE CCCCCCCCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccccc1OC)C3=O 1871349303 UEQVMZYPLHAPTC-ITYLOYPMSA-N 449.591 6.604 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc4c3CN([C@@H](C)c3ccc(OC)cc3)CO4)C2=O)cc1 1871354758 ZWOGWVMPMVHFEV-OMTSMLQXSA-N 441.527 5.787 30 10 IKEE Cc1cc(OC(=O)c2c(F)cccc2Cl)cc2c1C(=O)/C(=C/c1cccc(Cl)c1)O2 1871375373 IGEYJKQDDSXACX-GRSHGNNSSA-N 443.257 6.276 30 10 IKEE Cc1cc(OCCc2ccccc2)cc2c1C(=O)/C(=C/c1c(Cl)cccc1Cl)O2 1871400175 MIDBQBCHDQVFIT-HMAPJEAMSA-N 425.311 6.540 30 10 IKEE CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(C)c1)C2=O 1871402461 JBILWXKYOWYOHH-AOBKZXEFSA-N 443.499 5.416 30 10 IKEE Cc1cccc(OCCCCOc2ccc3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)c1 1871403473 NIQFDMZTDPAWJE-YSMPRRRNSA-N 444.483 5.578 30 10 IKEE CC(C)(C)c1ccc(/C=C2\Oc3cc(OCC(=O)NC4CCCCC4)ccc3C2=O)cc1 1871438300 TXJATPZPCAZQQF-IWIPYMOSSA-N 433.548 5.428 30 10 IKEE C=CCN(CC=C)c1nc(=NCCCCCC)nc(Nc2ccc(OCCCC)cc2)[nH]1 1871616027 SHPQLXVXVYKALM-UHFFFAOYSA-N 438.620 5.387 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NS(=O)(=O)c1cccs1)c1ccccc1 1872613819 WEZCAODFBOMDBZ-OAQYLSRUSA-N 436.643 5.025 30 10 IKEE COc1ccc(Cl)cc1C(=O)[C@@H](C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872759236 HYGKCOIVMRHCEI-OAQYLSRUSA-N 444.943 6.629 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccc(Cl)cc3)n2)cc1OC 1872761181 HYSQRYSPWBOVKL-GUYCJALGSA-N 442.924 5.124 30 10 IKEE COc1ccccc1-c1csc([C@@H](C#N)C(=O)c2cccc(Oc3ccccc3)c2)n1 1872766121 CHKSSEOKFIWUAJ-NRFANRHFSA-N 426.497 6.101 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccccc3C)n2)c(OC)c1 1872784795 XVDMMULCWGCPIH-LJQANCHMSA-N 436.533 5.171 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@H](C#N)C(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 1872786487 LOEFXZGUPQOIEX-OAHLLOKOSA-N 441.896 5.487 30 10 IKEE C[C@H]1C[C@@H](C)CN(CC(=O)[C@H](C#N)c2nc(-c3ccccc3)c(-c3ccccc3)s2)C1 1872799847 MLKOYWZJQQMGHR-JQVVWYNYSA-N 429.589 5.631 30 10 IKEE Cc1ccc(OCc2nc3ccc(C(=O)Nc4ccc(C#N)cc4)cc3[nH]2)c(C(C)(C)C)c1 1872805201 YYJBUFFQNCGLSO-UHFFFAOYSA-N 438.531 5.872 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2C)C(=O)N(Cc2ccc(C)cc2)C1=O 1873102311 NEXUDMDGULEHND-UHFFFAOYSA-N 446.635 6.314 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1c[nH]c2cc(Cl)ccc12 1873500232 LBBVAJWKHSZMGW-BRJLIKDPSA-N 427.936 5.679 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)NCCCCc3ccccc3)c(=O)oc2c1C 1873918798 ZZYCINWHUBOEDV-UHFFFAOYSA-N 433.548 5.046 30 10 IKEE CCCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccccc1C 1874217978 OMVKHKUAQXPCJD-ZMOGYAJESA-N 428.989 5.820 30 10 IKEE CCSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccc(Cl)cc1Cl 1874267257 OFDFBSFUPZKRQZ-LSHDLFTRSA-N 441.771 5.812 30 10 IKEE COc1ccc(CCc2nnc(SCc3cccc(C)c3)n2/N=C/c2ccco2)cc1 1874306369 SVIBUUORHUNYSF-PCLIKHOPSA-N 432.549 5.148 30 10 IKEE CCCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc(O)c(OCC)c1 1874343302 KDUMWORLVFHGCY-OEAKJJBVSA-N 430.961 5.011 30 10 IKEE Cc1cccc(CSc2nnc([C@@H](C)c3ccccc3)n2/N=C/c2cccc(F)c2)c1 1874394359 KNDNBSGTJBZJAC-FQNOVECQSA-N 430.552 6.052 30 10 IKEE CN(C)c1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2-c2ccccc2)cc1 1874426390 GEVXZUVHIPACPB-WGOQTCKBSA-N 431.540 5.325 30 10 IKEE COC(=O)c1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2ccc(Cl)cc2)o1 1874454377 FXVQZGGMWLYLRB-FSJBWODESA-N 444.944 5.143 30 10 IKEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(C)cc3)nnc2-c2ccco2)cc1 1874465509 MULPICKSWWRJLI-MFKUBSTISA-N 445.548 5.022 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc(C(=O)OC)cc1 1874479857 VQCOYYHGZHORAY-ZVHZXABRSA-N 442.972 5.235 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(SCCc2ccccc2)nnc1C(C)C 1874514082 GQWZIYNUTUEFAW-YZSQISJMSA-N 430.577 5.780 30 10 IKEE CCOc1c(/C=N/n2c(CC)nnc2SCc2c(F)cccc2Cl)cccc1OC 1874529104 RSISNKSEDFSWNK-WYMPLXKRSA-N 448.951 5.215 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(C)n2/N=C/c2c(Cl)cccc2Cl)c1 1874530306 BXZQXBSUQZAMOE-AUEPDCJTSA-N 448.379 5.123 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccccc2Cl)cc1 1874580098 XVFWAGKWFCRNOC-UKTHLTGXSA-N 441.354 7.257 30 10 IKEE COC(=O)c1ccc(COc2c(/C=C/C(=O)c3c(C)cc(C)cc3C)cccc2OC)o1 1874590104 SUGDLBPWZIXXOQ-PKNBQFBNSA-N 434.488 5.475 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OCC(=O)Nc1cccc(C)c1C 1874595867 HLBSQXMDCKZKPP-XYOKQWHBSA-N 447.506 5.673 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1OCc1ccc(Cl)cc1 1874598404 KWEIKCBYBNJNRX-KPKJPENVSA-N 436.935 6.449 30 10 IKEE CCOC(=O)c1ccc(COc2cc(/C=C/C(=O)c3ccc(C)c(C)c3)ccc2OC)o1 1874598974 ORVRGTTZIHZEJA-YRNVUSSQSA-N 434.488 5.557 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1OCC(=O)OC 1874605733 CNSZMROJAFVXIU-QPJJXVBHSA-N 443.710 5.493 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OCC(=O)Nc2c(C)cccc2C)c(Cl)c1 1874610333 MZZLPQJUHCSPAS-ACCUITESSA-N 449.934 5.879 30 10 IKEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc1Cl 1874633622 MMSWJGGCHSKSPT-FNORWQNLSA-N 437.319 5.539 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cc(OC)c(OCCc3ccccc3)c(OC)c2)cc1C 1874636595 ISZVZXLYUNVJCL-VAWYXSNFSA-N 446.543 5.847 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1C 1874636660 LVUURCRRHFSMFE-YRNVUSSQSA-N 441.354 7.094 30 10 IKEE COc1ccc(CCC(=O)Oc2cc(/C=C/C(=O)c3ccc(C)cc3)ccc2OC)cc1 1874702776 JCQIPLRAGDCKBY-OVCLIPMQSA-N 430.500 5.447 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2cccc(OC(=O)Cc3cccc4ccccc34)c2)c1C 1874710962 NPHQIUXWNPTBQV-FOCLMDBBSA-N 448.562 7.118 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)c(F)c3F)cc2)cc1C 1875107106 ADQCNDOQRXIXIF-VZUCSPMQSA-N 426.390 5.536 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC(C)C)c(Br)c2)cc1C 1875108504 RLEILBSKBCZPNK-VMPITWQZSA-N 431.326 5.614 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)[C@H](C)c3ccccc3)c(OC)c2)cc1 1875112610 LURJSHRJTHTIIW-SPQRHKFCSA-N 446.499 5.318 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2[N+](=O)[O-])cc1C 1875126093 PNCIRFRQOILRER-VZUCSPMQSA-N 449.890 5.909 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC3CCCCC3)c([N+](=O)[O-])c2)cc1 1875129936 AWJQWKNNRJJKCG-RIYZIHGNSA-N 437.492 5.765 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)cc2)cc1 1875132380 QUJFOEQUNHOJAB-KPKJPENVSA-N 446.415 5.235 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3cccc(Cl)c3)c(Cl)c2)c1 1875139491 LGPZBHOMYKGARK-CSKARUKUSA-N 425.311 6.726 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(C)c3)cc2)cc1 1875141343 ZMCDGOVHBWXFBK-LICLKQGHSA-N 446.518 6.357 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3)c(Br)c2)ccc1F 1875141356 ABXMTTLJMZORIA-YRNVUSSQSA-N 439.280 6.012 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 1875158836 PIZIKESFVVEDOZ-UUILKARUSA-N 449.434 5.556 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)c1cncc(C)c1 1875171764 MCZJFLOKYUXXOY-SOFGYWHQSA-N 431.488 5.139 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)C(C)(C)C)c(Cl)c2)c1 1875172419 SZVCHJHDEANOGB-DHZHZOJOSA-N 430.928 5.985 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3)c(Cl)c2)cc1C 1875188440 VNKXHALRVPGQPX-PKNBQFBNSA-N 434.919 6.010 30 10 IKEE C=CCn1c(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc2c(NCc3ccc(Cl)cc3)ncnc21 1875230691 KFEITTUWUQQGPL-IRXDYDNUSA-N 437.975 5.001 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NC)c1cc(NC(=O)OC(C)(C)C)c2ccccc2n1 1922071413 KIWZVRWOJRDHRT-XMMPIXPASA-N 433.552 5.615 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CN(C(=O)OC(C)(C)C)C(C)(C)C1 1949596198 LXHKYIPLODXQQW-XMMPIXPASA-N 429.561 5.418 30 10 IKEE CC(C)(C)OC(=O)Nc1c(Br)cc(Br)cc1[C@@H]1C[C@@]1(C)C=O 1952044457 MKOIWMZGHXCQLS-ZBEGNZNMSA-N 433.140 5.251 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@]1(C)CC(F)(F)CN1C(=O)OC(C)(C)C 1996104869 HYUCJSOHPHQNOE-OFNKIYASSA-N 438.559 5.162 30 10 IKEE C=CC1(C[C@@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)CCC1 2002626742 AVXIZQRCBAYKAC-MDNUFGMLSA-N 430.633 5.600 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Br)c(Cl)c1 2041573581 GDXNHEMCNPIEEB-IAGOWNOFSA-N 429.786 5.060 30 10 IKEE CCc1ccc([C@H](n2nc(C3CCC3)c(C#N)c2I)C2(C)CC2)cc1 2079080130 YGEHOQIPSCIOAS-IBGZPJMESA-N 445.348 5.579 30 10 IKEE Cc1cc(O)c([C@H](n2nc(C3CC3)c(C#N)c2I)C(C)(C)C)cc1C 2079970904 ZAGYJAPXWLWFNF-SFHVURJKSA-N 449.336 5.195 30 10 IKEE CCCC#CC[C@H](NCCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2083443774 SVDGXZPHSKFLCQ-DEOSSOPVSA-N 441.660 5.108 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)cc1Br)NCC 2088520833 YPXNXDCZKTZFSF-MSOLQXFVSA-N 445.829 5.483 30 10 IKEE C=CCN(C[C@@H](Cc1cc(Br)ccc1Cl)NCCC)C(=O)OC(C)(C)C 2110502347 AAMRZNWSVJMKRR-QGZVFWFLSA-N 445.829 5.436 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)c(Br)c1F)NCCC 2126700917 SCOHDCAXZCVBHV-LSDHHAIUSA-N 449.792 5.232 30 10 IKEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(Cc2cccc(Cl)c2Br)CC1 2137176903 GRGHPRNMSRMULC-UHFFFAOYSA-N 426.591 5.256 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCC(Nc3ccc(C#N)cc3Br)CC2)C1 2155993709 SDTXEYPTLPLVDN-UHFFFAOYSA-N 434.378 5.302 30 10 IKEE CN(c1cccc(Br)c1C#N)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1 2197458270 JHRIDICPKQIDBV-IBGZPJMESA-N 430.346 5.023 30 10 IKEE CC(C)(C)OC(=O)NCCCc1ccccc1Nc1ccc(C#N)c(Br)c1 2207178659 YMAHFNJGQWKBOM-UHFFFAOYSA-N 430.346 5.522 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C1 2214836268 JCDMQFBVORLFSN-XFAGBWLFSA-N 429.561 5.356 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(C)c(Br)c(C)c1 2227355532 NCXLMDYHVZOLGH-HKUYNNGSSA-N 425.411 5.576 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(C)c(Br)c(C)c1 2227355535 NCXLMDYHVZOLGH-PKOBYXMFSA-N 425.411 5.576 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)CCC[C@H](C)NC(=O)OC(C)(C)C 2235746767 LITLYZJRSJASFA-PKOBYXMFSA-N 437.422 5.252 30 10 IKEE CC(C)(C)OC(=O)N(CCN=[N+]=[N-])[C@H](C#N)c1cc(C(F)(F)F)ccc1Br 2236344078 IZHJBIQUSCNEGT-CYBMUJFWSA-N 448.243 5.580 30 10 IKEE C#CCCCCC[C@@H](NCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248468994 QZBZGEKXRFXRBD-HSZRJFAPSA-N 428.617 5.002 30 10 IKEE CC1(C)OB(c2c(Cl)cccc2C(=O)N(Cc2ccccc2)c2ccccc2)OC1(C)C 2267913511 BXUVDDQTJKWNQV-UHFFFAOYSA-N 447.771 5.486 30 10 IKEE CC(C)c1cc(Br)cc([C@H](C#N)N(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)c1 2280730475 KPHOPGFGTHDWMZ-OALUTQOASA-N 437.378 5.553 30 10 IKEE CCCCCCCCOc1ccc(C=C2SC(=S)N(c3ccc(F)cc3)C2=O)cc1 2296013971 IYJHWIVRTSHFPC-UHFFFAOYSA-N 443.609 6.971 30 10 IKEE CCCCCCCCOc1ccc(C=C2SC(=Nc3ccc(C)cc3C)NC2=O)cc1 2296882544 YZMMWNLFMLYJHN-UHFFFAOYSA-N 436.621 6.934 30 10 IKEE O=C1C(=O)N(Cc2ccco2)[C@@H](c2ccc(Cl)cc2Cl)C1=C(O)c1ccccc1 2297059702 CWFYZPLFQJOJOV-IBGZPJMESA-N 428.271 5.208 30 10 IKEE C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)C(=Cc3ccc(C(F)(F)F)cc3)C[C@H]12 2297733543 UELTYJDTQILMTO-FTYJQFIZSA-N 446.553 6.671 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2Oc3ccc(C)cc3C2=O)cc1OC 2314519695 YMMNQUPMFLQYPA-UHFFFAOYSA-N 438.483 5.481 30 10 IKEE Cc1cccc(N=C2SC(=Cc3ccc(Cl)cc3Cl)C(=O)N2c2ccccc2)n1 2314540792 YLXYTSNMEUHQFI-UHFFFAOYSA-N 440.355 6.505 30 10 IKEE CCN1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=Nc1nc(C)cs1 2314544182 VVUFHMFGCIFWPN-UHFFFAOYSA-N 440.506 5.244 30 10 IKEE CCOc1cc(C=NNc2ccc(Cl)c(Cl)c2)ccc1OCc1cccc(Cl)c1 2321720053 LCRFEBHRIGPCQG-UHFFFAOYSA-N 449.765 7.071 30 10 IKEE Cc1ccc(C)c(COc2ccc3c(c2C)OC(=Cc2ccc(-c4ccccc4)cc2)C3=O)c1 2321757976 LLQOMMHZUDWMQL-UHFFFAOYSA-N 446.546 7.474 30 10 IKEE CCc1nnc(SCc2ccc(F)cc2)n1N=Cc1cccc(OCc2ccccc2)c1 2321762317 ZSEWKVBGYHMLIY-UHFFFAOYSA-N 446.551 5.733 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2Cl)Oc2c1ccc1c2CN(Cc2cccnc2)CO1 2321968641 VWRCJIUCWKWDTB-UHFFFAOYSA-N 439.298 5.357 30 10 IKEE CCCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(Cl)cc1Cl)C3=O 2322051021 PUJBWYDLNJVSJA-UHFFFAOYSA-N 432.347 6.260 30 10 IKEE CC(C)c1ccc(C=C2Oc3c(ccc4c3CN(CCCCN3CCCC3)CO4)C2=O)cc1 2322118929 DHAIMQBZIBUXPF-UHFFFAOYSA-N 446.591 5.454 30 10 IKEE CCc1ccc([C@@H](C)N2COc3cc(C)c4c(c3C2)OC(=Cc2ccc(F)cc2)C4=O)cc1 2322260135 FHFKWSPQWSBBMF-GOSISDBHSA-N 443.518 6.226 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCc2c(Cl)cccc2Cl)cc1C 2322401752 LYCVTLGOBQRSSH-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE C=CCOc1c(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc(Br)cc1OC 2322585897 XIULIAALTJEEDB-UHFFFAOYSA-N 442.136 6.225 30 10 IKEE CCCOC(=O)COc1ccc(Br)cc1C=CC(=O)c1ccc(F)c(C)c1 2322624318 QPKPQYWYOXUTSN-UHFFFAOYSA-N 435.289 5.125 30 10 IKEE COC(=O)c1ccc(COc2ccc(Cl)cc2C=CC(=O)c2cccc3ccccc23)o1 2322724665 LTJGPHROZBLVPQ-UHFFFAOYSA-N 446.886 6.348 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(Cl)cc2C=CC(=O)c2c(C)cc(C)cc2C)c1 2322948982 HEAHNLYSLKUYTO-UHFFFAOYSA-N 447.962 6.487 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1OCc1ccc(C)cc1 2323149445 YGIJEHSEJRYOHJ-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OCc1cccc2ccccc12 2323203524 VTQRMHAKDDSRTR-UHFFFAOYSA-N 436.551 7.447 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2cccc(OCC(=O)Nc3ccccc3)c2)c1 2323261654 BWMBBKCTKTUOMD-UHFFFAOYSA-N 445.515 5.398 30 10 IKEE COC(=O)c1ccc(COc2cccc(C=CC(=O)c3cc(Cl)cc(C)c3OC)c2)o1 2323301686 ULHQTCARVBPQBF-UHFFFAOYSA-N 440.879 5.512 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)ccc1OCc1c(F)cccc1Cl 2323626994 PYFSXUWMFOOLJG-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE CCCCOc1c(OC)cc(C=NNc2nc(-c3cccs3)cs2)cc1[N+](=O)[O-] 2323864842 ODNLDXLPOKSFGU-UHFFFAOYSA-N 432.527 5.413 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCc3ccc(C)cc3)c(OCC)c2)cc1 2323934239 BMGDOKREZMPHFY-UHFFFAOYSA-N 430.544 6.658 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2ccc(OCc3cccc(F)c3)cc2)cc1Cl 2324422526 OWAQTVJMYQEDRB-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccccc2C)C3=O)cc1 2324454272 YGPSQDAYEQXTRO-GOSISDBHSA-N 443.499 5.334 30 10 IKEE CCOc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3cc(C)ccc3OC)cs2)cc1OC 2324574129 UCTHAELEFUKBIK-IBGZPJMESA-N 448.544 5.424 30 10 IKEE COc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)c(OC)c1 2324725715 JIKYPKGGWMZHAO-FQEVSTJZSA-N 448.544 5.342 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc3ccccc3c2)cc2c1C(=O)C(=Cc1cccs1)O2 2324959863 FUWVFXCSBDJTEX-UHFFFAOYSA-N 441.508 5.843 30 10 IKEE Cc1c(OCC(=O)OCC(C)C)ccc2c1OC(=Cc1ccc(Cl)cc1Cl)C2=O 2325068699 ZXETXNFVKJLXGV-UHFFFAOYSA-N 435.303 5.496 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1cccc(OC)c1OCC 2325571545 YHNSMRXLXUFTLE-UHFFFAOYSA-N 444.988 5.466 30 10 IKEE CCOc1ccc(C=Nn2c(C)nnc2SCc2cccc(Cl)c2)cc1OCC 2325631798 HURCNHIOWXGNPQ-UHFFFAOYSA-N 430.961 5.212 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1cccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)c1 2325684572 HHWIKUQOJDETOW-UHFFFAOYSA-N 445.471 5.564 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)cc1C 2325715172 JUMUCZUXAUEPRG-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE CCCC(=O)Oc1cc(C=CC(=O)c2ccc(Cl)cc2)c(Br)cc1OC 2325730107 XJSZIOKWKNCKOV-UHFFFAOYSA-N 437.717 5.713 30 10 IKEE CCCOc1c(Cl)cc(C=Nn2cnnc2SCc2ccc(C)cc2)cc1OCC 2326287292 MHLJREHBLYCCBD-UHFFFAOYSA-N 444.988 5.602 30 10 IKEE CCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1cccc(Cl)c1 2326331771 YDMUBZKOHBJVII-UHFFFAOYSA-N 427.017 6.356 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccc(OC(C)C)cc1 2326603320 QSTDJUBSHPEZOY-UHFFFAOYSA-N 436.625 6.199 30 10 IKEE CCSc1nnc(CCCOc2ccccc2C)n1N=Cc1ccc(Cl)c(Cl)c1 2327082755 GECKBOVVGAWQBV-UHFFFAOYSA-N 449.407 5.899 30 10 IKEE Clc1ccccc1CCc1nnc(SCc2ccccc2)n1N=Cc1ccccn1 2327956797 HUOQBTMZAHQXIQ-UHFFFAOYSA-N 433.968 5.286 30 10 IKEE Cc1ccc(OCc2nnc(SCCc3ccccc3)n2N=Cc2cccs2)cc1C 2328794561 QGVZOPIOHWLGEX-UHFFFAOYSA-N 448.617 5.752 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(COc2cccc(C)c2C)nnc1SC 2328813880 CVZGRMVDFVJAPO-UHFFFAOYSA-N 432.549 5.240 30 10 IKEE Cc1ccccc1CSc1nnc(CCOc2ccccc2)n1N=Cc1ccc(O)cc1 2329159040 YEMUAAXBBRBPAV-UHFFFAOYSA-N 444.560 5.088 30 10 IKEE COc1cccc(C=Nn2c(CCOc3ccccc3)nnc2SCc2ccccc2)c1 2329190040 KNCBXNGXJGIKIF-UHFFFAOYSA-N 444.560 5.083 30 10 IKEE COc1cccc(C=Nn2c(CCc3cccs3)nnc2SCc2ccccc2)c1 2329662895 LHCLUGAJOUKOBM-UHFFFAOYSA-N 434.590 5.308 30 10 IKEE C=CCSc1nnc(CCc2cccs2)n1N=Cc1cccc(Br)c1 2329673925 UIOMKWXTXYUHDR-UHFFFAOYSA-N 433.400 5.048 30 10 IKEE Fc1cccc(C=Nn2c(Cc3ccccc3F)nnc2SCc2cccc(F)c2)c1 2329725662 IXVGUXQTZNUTIF-UHFFFAOYSA-N 438.478 5.461 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(CC2CCCCC2)n1N=Cc1cccs1 2330306703 OOOZFNVYCPYVTA-UHFFFAOYSA-N 449.020 6.429 30 10 IKEE C(=Nn1c(Cc2ccccc2)nnc1SCc1cccc2ccccc12)c1ccccc1 2330502665 GSJSMYUKDYXNKM-UHFFFAOYSA-N 434.568 6.197 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2Br)cc1)c1cccc(Cl)c1 2331116404 XBBQKUWPAOOMEI-UHFFFAOYSA-N 441.708 6.218 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1cccc2ccccc12 2331136224 JGHWUBVUQJZVEU-UHFFFAOYSA-N 442.898 6.617 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)C(F)(F)F 2331149855 GNTAUOAZZWLHLS-UHFFFAOYSA-N 433.209 5.756 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)c1cccc([N+](=O)[O-])c1 2331183424 JMHTYNBVWZRRHF-UHFFFAOYSA-N 443.455 5.447 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)C=Cc2ccc(Cl)c(Cl)c2)n(C(C)(C)C)n1 2331668830 UORRHAQWBOJKEW-UHFFFAOYSA-N 434.371 5.170 30 10 IKEE COc1cc(C(=O)C=Cc2ccc(OC(=O)C(C)(C)C)c(Cl)c2)c(OC)cc1Cl 2331689829 JETUKDVNZIXQTF-UHFFFAOYSA-N 437.319 5.858 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)[C@@H](C)c1ccccc1 2331709555 JYRJTORZVUUZQH-NRFANRHFSA-N 428.528 6.307 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2OC)ccc1OC(=O)c1cccc(C)c1 2331727096 DDMCUUMVXAWXIL-UHFFFAOYSA-N 446.499 5.526 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)ccc1OC(=O)[C@H]1CCCO1 2331752007 SVKBLICDIGTJGJ-OAQYLSRUSA-N 444.911 5.036 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc([N+](=O)[O-])c1OC(=O)c1ccco1 2331770768 WYBYBMQBSNNWLF-UHFFFAOYSA-N 449.459 5.627 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(F)c(F)c2)cc1 2331786979 NUEWMYUIMQWALX-UHFFFAOYSA-N 434.482 6.686 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)c1ccncc1 2331863848 SQIXYNPQLGEPRC-UHFFFAOYSA-N 442.298 5.902 30 10 IKEE CC#CCN(C[C@H](NCCC)c1cc(C)c(Br)cc1C)C(=O)OC(C)(C)C 2363128981 NQMFWCPWELZJDZ-FQEVSTJZSA-N 437.422 5.367 30 10 IKEE C=CCCC1([C@H](NCCC)c2cncc(Br)c2)CN(C(=O)OC(C)(C)C)C1 2370483099 RADXWXJMRCWYPI-GOSISDBHSA-N 438.410 5.088 30 10 IKEE O=C1CCCC2=C1[C@H](c1ccccc1F)n1nc(SCc3ccccc3Cl)nc1N2 1283418 PFVAKQXPCZSFFH-FQEVSTJZSA-N 440.931 5.385 30 10 IKEE C/C(=C\CC1=CC(=O)c2ccccc2C1=O)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C 4654841 UDYIPZFWVJJQJF-XTYWZYEKSA-N 436.680 8.768 30 10 IKEE endogenous,in-man CCOc1ccc2c(c1)O/C(=C\c1ccc(OC(=O)c3ccc(C)cc3)c(OC)c1)C2=O 8823757 LIBJRKMAGOLSLA-OYKKKHCWSA-N 430.456 5.238 30 10 IKEE O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1cccc3ccccc13)n1c(nc3ccccc31)N2 19646331 DWZYNPOFZHVLRK-XRHLQHRESA-N 447.563 6.667 30 10 IKEE COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccs2)c1 21243277 SMQIPNMZWQUPAQ-SGANQWHYSA-N 432.545 5.745 30 10 IKEE O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@@H](c1ccc([N+](=O)[O-])cc1)Nc1ccccc1N2 21247268 FUFVWDFAHKZAEW-SSOJOUAXSA-N 429.451 5.713 30 10 IKEE CCOc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(CC)cc2)C3)c1 21253331 AQDZSYXNTYIEKJ-MNNSJKJDSA-N 438.571 6.627 30 10 IKEE Cc1cc(C)c2nc(S[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCC4)cc(C)c2c1 32529557 LCIBOGZSFIFWAY-INIZCTEOSA-N 435.618 6.091 30 10 IKEE COc1ccccc1C(=O)Oc1ccccc1/C=C\C(=O)c1ccc(-c2ccccc2)cc1 34954572 FUZIFPPMZVXMOP-VXPUYCOJSA-N 434.491 6.478 30 10 IKEE O=C1N/C(=N\N=C\c2ccc(-c3ccc(Cl)cc3)o2)S[C@H]1Cc1ccc(Cl)cc1 39888063 ARYQXKHQZZKTEZ-OGBFJMLUSA-N 444.343 5.418 30 10 IKEE CC[C@H](C)Oc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OC(C)C)cc2)C3)cc1 59530916 RVYORPVTVDVABS-VNZMSGEBSA-N 447.575 5.655 30 10 IKEE CCCCCCCCCCCCCCCCCCN(C)C(=O)N[C@H]1C=CS(=O)(=O)C1 59568350 NVHQKMPVJRJETQ-QHCPKHFHSA-N 442.710 6.200 30 10 IKEE O=C(/C=C\c1nc2ccccc2[nH]1)c1c(-c2ccc(Cl)cc2)c2ccccc2[nH]c1=O 96035341 JDOQEYGHPDCRNU-YPKPFQOOSA-N 425.875 5.621 30 10 IKEE CCOc1cc(/C=C\C(=O)Nc2cccc(C#N)c2)ccc1OCCOc1ccc(F)cc1 97674130 PZQHZNAREKGEGZ-QPEQYQDCSA-N 446.478 5.206 30 10 IKEE COc1ccc(/C=N/c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c2ccccc12 100046214 DZOZOVRNIHAZDC-WGOQTCKBSA-N 434.492 5.539 30 10 IKEE CCCCCCCOc1cccc(NC(=O)c2ccc(OC(C)C)c(Br)c2)c1 100246445 CRYWHHRDBGNHNU-UHFFFAOYSA-N 448.401 6.838 30 10 IKEE CCCCCCCCCCCCCC(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1 100442484 LLMAZJKCLVFYRC-UHFFFAOYSA-N 436.640 7.603 30 10 IKEE O=C1C(c2ccccc2)=C[C@H]([C@@H]2C=C(c3ccccc3)C(=O)c3ccccc32)c2ccccc21 100486430 QSTBAAQYVOEFBU-RNPORBBMSA-N 438.526 7.114 30 10 IKEE CCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N\Nc2ccccc2)CC(C)(C)C3)cc1 101109046 NPLWYUYZCPOARS-ANYBSYGZSA-N 431.536 6.028 30 10 IKEE CCCCCCCCCn1c([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)nc2ccccc21 101322822 PMNQGXYLQZTYSC-FQEVSTJZSA-N 438.015 6.961 30 10 IKEE CCn1cc(/C=C2\Oc3c(ccc(OC(=O)C(C)(C)C)c3C)C2=O)c2cc(OC)ccc21 103024932 QTMITFRAHAIIGD-UUYOSTAYSA-N 433.504 5.546 30 10 IKEE CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(C)cc2)cc1 135623333 VADLUMYKKDSDJJ-IUKMQXEJSA-N 441.527 5.058 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C)cc2C)c1 169935571 KTIOJOHOKREQQO-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE CCCCCCCCCOc1ccc([C@H]2NC(=S)N(C)C3=C2C(=O)CCC3)c(Cl)c1 169936955 HPKULMQPZGZVBX-HSZRJFAPSA-N 449.060 6.338 30 10 IKEE CCCOc1c(Cl)cc(/C=N\Nc2nc(-c3ccc(C)cc3C)cs2)cc1Cl 169942075 XTYJFZQLUQLHSE-MYKKPKGFSA-N 434.392 6.969 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1cccs1)c1c[nH]c2ccccc12 169989334 IRRCNJHEDYAXPN-QFIPXVFZSA-N 446.503 5.190 30 10 IKEE CCCCc1ccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2ccccn2)cc1 169993815 PLEOYIXZKWODGI-NRFANRHFSA-N 447.560 5.280 30 10 IKEE CCCCc1ccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2ccccn2)cc1 169993817 PLEOYIXZKWODGI-OAQYLSRUSA-N 447.560 5.280 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccccc2)cc1 170032630 LRZJGYMPENUBQL-XMMPIXPASA-N 445.490 5.706 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1 170048359 BVQPASVINMJPNT-QFIPXVFZSA-N 433.891 5.127 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccc(F)cc2)cc1 170061735 YEVCKCPLCXWANR-QFIPXVFZSA-N 435.882 5.824 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccccc2F)cc1 170071321 BCELMNZDNOYREP-QHCPKHFHSA-N 426.447 5.043 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(O)cc2)cc1C 170133260 WESCNBKPORTFDT-XMMPIXPASA-N 443.499 5.109 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1ccccc1OC(C)C 170150742 LEODVKWUDUPDNJ-QHCPKHFHSA-N 437.536 5.169 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cccs1 170159942 RKGFPFSPVQHMRZ-QHCPKHFHSA-N 445.540 5.418 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@@H]2c2cccs2)cc1 170165021 URWQYECPQJIRPC-OAQYLSRUSA-N 427.566 5.696 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccc2)ccc1OC(C)C 170222846 HPBFOVHAXMUXPD-DEOSSOPVSA-N 445.490 5.704 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@@H]1c1ccccc1 170228309 FSJQBNFTUCXVMC-JOCHJYFZSA-N 444.874 5.003 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@H]1c1ccc(F)cc1 170243917 KZBLYHCGHHRTFK-JOCHJYFZSA-N 425.500 5.301 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1ccccc1F 170249605 JCACTFYHIIVUNO-DEOSSOPVSA-N 445.490 5.704 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2F)cc1 170253597 FQQYDAFMPFBPSR-QHCPKHFHSA-N 437.511 5.381 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1ccco1 170283514 TVIULFQCWNXLDZ-JOCHJYFZSA-N 447.487 5.074 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2c2cccc(F)c2)o1 170299106 DHGVAVFSXMXKLI-HSZRJFAPSA-N 449.478 5.606 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cn(C)c3ccccc23)cc1C 170395307 XAMNYNISIIZLDT-VWLOTQADSA-N 436.511 5.578 30 10 IKEE CC(C)Oc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2ccc(N(C)C)cc2)cc1 170445366 QQXYQSUKVHMQTC-QFIPXVFZSA-N 436.552 5.055 30 10 IKEE CC(C)C(=O)C1=C(O)C(=O)N(c2cccc3ccccc23)[C@H]1c1ccc(C(C)(C)C)cc1 170469645 CHIUDBPHHIEUKV-DEOSSOPVSA-N 427.544 6.262 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/Oc3cc(C)c(C)cc3C2=O)cc1F 214010735 SVMZIFANEBYPCP-AFUMVMLFSA-N 440.474 5.920 30 10 IKEE Cc1nn(C)cc1C=Nc1sc2c(c1C(=O)NC1CCCCC1)CC[C@@H](C(C)(C)C)C2 252628667 SVHWGRXZNDGIFN-GOSISDBHSA-N 440.657 5.754 30 10 IKEE Fc1ccc(Nc2nc(NN=Cc3cccc4ccccc34)nc(N3CCCCC3)n2)cc1 252638242 YAMFACUMKIPIEB-UHFFFAOYSA-N 441.514 5.344 30 10 IKEE C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C/c1ccc(OC(F)F)cc1)C2=O 253534361 UILXPFRZQGQVFT-SLZKCZAWSA-N 442.546 6.174 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3cccc4ccccc34)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 526522017 UUBLRYLRPABJGD-VWLOTQADSA-N 447.450 5.677 30 10 IKEE CC(=O)Oc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Cl)cc2)c1 526744393 MULPZMAFKNKXRO-QFIPXVFZSA-N 447.874 5.048 30 10 IKEE CCOc1cc(/C=N\n2c(C)nnc2SCc2ccc(Cl)c(Cl)c2)ccc1O 526813892 DKHORRRTQIFGDN-YVNNLAQVSA-N 437.352 5.172 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1ccc(O)c(O)c1 526824291 UTTCRIJHAJGJBV-YVNNLAQVSA-N 437.352 5.123 30 10 IKEE CCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1ccc(OCC)c(Cl)c1 526825526 YCJNUYYCRZEBFE-CFRMEGHHSA-N 432.952 5.596 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](Nc3cc(Br)ccc3C#N)C(C)(C)[C@@H]21 693668947 SOBMMMOVEVYXGI-BPQIPLTHSA-N 434.378 5.157 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@H](C#N)c1cc(Cl)c2c(c1)OCCCO2 698373749 KEJYEHQNFHWCCG-LJQANCHMSA-N 428.916 5.503 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCCC[C@H]1C(C)(C)C 698453785 GPCIOSVAXLLPNK-AVRDEDQJSA-N 435.406 6.689 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCC[C@H](C(F)(F)F)C1 698495640 DOJZODIJCJUNBH-SCLBCKFNSA-N 447.295 6.205 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@H](C#N)c1cc(Br)ccc1Cl 698825309 GNWYFQLUGGMIFQ-SFHVURJKSA-N 441.797 6.627 30 10 IKEE C=CCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@@H]1[C@@H]1CCCCN1C(=O)OC(C)(C)C 710726850 SFMNOUXCLWPYHN-IMWIBFENSA-N 433.593 5.262 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@](C)(C#N)Cc1ccc(Br)cc1 710734174 HNOLCQQZVCDABW-NRFANRHFSA-N 433.321 5.855 30 10 IKEE C=CC[C@@H](C)[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCCC 715791187 XOJXFEKWQNULQI-ISKFKSNPSA-N 443.676 5.516 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C3CCCC3)[C@H]1C2 721766682 DWIYDDZDPNLKEE-YJLYGGOZSA-N 433.593 5.238 30 10 IKEE CCC(C)=NNc1nc2cc(C)c(NC(=O)COc3ccc(Cl)c(C)c3)c(C)c2s1 1081379602 KBIYHEUMJCNKTA-UHFFFAOYSA-N 444.988 6.090 30 10 IKEE Oc1ccccc1N=Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 1084047899 PROUWCLBNVMEDQ-UHFFFAOYSA-N 448.953 7.921 30 10 IKEE O=C(NCc1ccco1)c1c(N=Cc2ccc(Br)cc2)sc2c1CCCC2 1084049191 BAMSHMXSVSASMK-UHFFFAOYSA-N 443.366 5.663 30 10 IKEE O=C1/C(=C/C=C/c2ccccc2)S/C(=N\N=C/c2ccccc2F)N1Cc1ccco1 1554646471 MURVIJRDRSWUBC-HLZKXQKSSA-N 431.492 5.482 30 10 IKEE N#C[C@@H](c1ccc(Br)cc1F)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 1614720176 KPHQIZYDKYEQNU-QFBILLFUSA-N 431.305 5.244 30 10 IKEE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNc2ccccc2)CC(C)(C)C3)cc1 1772729131 GKOZTWAWZNIOMJ-UHFFFAOYSA-N 445.519 5.416 30 10 IKEE CC(=C/c1ccccc1)/C=C1\SC(=NN=Cc2cccs2)N(Cc2ccco2)C1=O 1772757767 TWXLBPYDFKOZOC-DBGGFVBTSA-N 433.558 5.794 30 10 IKEE COc1ccc2oc(C)c(C(=O)Nc3oc(-c4ccccc4)c(-c4ccccc4)c3C#N)c2c1 1859650320 NTEDHBUOAKXIQL-UHFFFAOYSA-N 448.478 6.801 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCSC)NC(=O)/C=C/c1ccc(OC)cc1 1861078070 FBYYVAOCLYOFTG-IOUNIBQOSA-N 448.673 5.203 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](CCCC)NC(=O)c1ccc2[nH]c(-c3ccc(C)cc3)nc2c1 1862099521 VZMJYHYLRRKWPS-HSZRJFAPSA-N 444.579 5.028 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCc2cccs2)c1 1862429495 OSGJWGLRFCXSQR-OAQYLSRUSA-N 437.948 5.531 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccccc1F 1862430330 IFTWVYZBPMVQKF-OPAMFIHVSA-N 443.946 6.416 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(Br)c1 1862452867 MAPXMJKESVOXQY-SFHVURJKSA-N 448.744 5.337 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccc(OC)cc2)cc1 1862474463 NWWVUOMJNFZLNI-VWLOTQADSA-N 441.527 5.345 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccc(F)cc2)c1 1862501539 FHAQLDFHTBIOEO-QHCPKHFHSA-N 449.453 5.060 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1cccc(Cl)c1 1862527227 SFUJOLSIFNDQBN-QGZVFWFLSA-N 434.717 5.089 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccc(C)cc2)cc1 1862531734 BCUBUDBYWTZLKG-VWLOTQADSA-N 431.576 6.249 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc2cc[nH]c2c1 1862546312 VKPNXSVVIUNOKU-RUZDIDTESA-N 442.559 5.815 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862583253 WSCVZSUMRYKHRY-SFHVURJKSA-N 449.290 5.136 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2cccc(F)c2)cc1 1862662574 IXBCGUCVHYLUNO-VXWZWFMZSA-N 435.539 6.106 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cc(Cl)cc(Cl)c1 1862668116 QYSWBEQWVGQSIH-LHSJRXKWSA-N 446.374 6.494 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2)cc1 1862673059 BFTQXTJDLKZUHC-XDHUDOTRSA-N 429.491 5.728 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc(OCC)c1 1862694188 DDCYLBDCPGBTFD-HSZRJFAPSA-N 437.536 5.253 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2cccc(Cl)c2)c1 1862700563 JIIADLJWEYGNLY-WAIKUNEKSA-N 447.918 5.688 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccc2ccccc12 1862756608 OUEVBWUATTUCDR-QHCPKHFHSA-N 444.487 5.372 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCOCC)=C(c2ccc(C)c(C)c2)C1=O 1863606733 MBBAEKKAPBCNGW-UHFFFAOYSA-N 442.644 5.540 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(C(=O)OCCC)cc1 1866029875 MXIJRFIPPMRFHY-UHFFFAOYSA-N 445.688 8.453 30 10 IKEE C[C@H]1c2[nH]cnc2CCN1c1cc(Nc2ccccc2C#N)nc(-c2ccc(Cl)cc2)n1 1868440854 VTNAFNQBXBADAJ-HNNXBMFYSA-N 441.926 5.259 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(Cl)cc2Cl)c(=O)cc1CN(C)C 1870346545 SDTDAYRHSFBDGG-UHFFFAOYSA-N 439.427 6.156 30 10 IKEE CCCCCCCCn1cc(OCc2c(C)cccc2C)c(=O)cc1CN1CCOCC1 1870490140 QVWFGHTYIBODMC-UHFFFAOYSA-N 440.628 5.237 30 10 IKEE CCCCCCCOc1cn(CCC)c(CNc2ccc(N3CCCCC3)cc2)cc1=O 1870831739 IZZGOPHOSMSART-UHFFFAOYSA-N 439.644 6.210 30 10 IKEE C=CCn1cc(OCc2cccc(C)c2)c(=O)cc1CNc1ccc(OC(F)(F)F)cc1 1871070007 KDBMZFNKZFQAHX-UHFFFAOYSA-N 444.453 5.432 30 10 IKEE Cn1cc(/C=C2\Oc3c(ccc4c3CN(CCC3=CCCCC3)CO4)C2=O)c2ccccc21 1871349440 MKRNAWTVQIDUFF-YSMPRRRNSA-N 440.543 5.837 30 10 IKEE CCOc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(C2CCCCCC2)C4)cc1 1871352231 WDSCRQCSJYQIBW-IWIPYMOSSA-N 433.548 5.885 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(OCC)cc2)C3=O)cc1 1871388432 WDWADGQAQXWEPH-XYGWBWBKSA-N 444.483 5.710 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2F)C3=O)cc1 1871389051 HPXGLUIVOCJKDU-HMAPJEAMSA-N 446.430 5.285 30 10 IKEE CCCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)c1 1871391488 YZJZUPPZZHITMW-QRVIBDJDSA-N 446.430 5.367 30 10 IKEE CCc1ccc(OCCCOc2cc(C)c3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871413338 YRNNHSJWMUMEGF-ONUIUJJFSA-N 428.528 6.330 30 10 IKEE Cc1cccc(COc2cc(C)c3c(c2)O/C(=C\c2ccc(Br)cc2)C3=O)c1 1871455329 MTXHMCPUSDUJLP-UUYOSTAYSA-N 435.317 6.261 30 10 IKEE C=CCN(CC=C)c1nc(=NCc2ccco2)[nH]c(=Nc2cc(C(C)C)cc(C(C)C)c2)[nH]1 1871673937 KMXTXHNAMJNNGC-UHFFFAOYSA-N 446.599 5.089 30 10 IKEE C=CCN([C@@H](CC)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1 1872019470 VZIJLMUWRYNOHH-NRFANRHFSA-N 449.016 5.232 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1ccccc1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872412226 GNYLAMFPODUANR-HSZRJFAPSA-N 442.625 5.294 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1cccs1 1872513751 ZJKDKVQKDUJMCL-HXUWFJFHSA-N 434.627 5.129 30 10 IKEE CCc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(OC(C)=O)c(OC)c3)n2)cc1 1872761176 HYHBVFULWQAGLZ-WUTDNEBXSA-N 446.528 5.196 30 10 IKEE N#C[C@H](C(=O)CCCOc1ccccc1)c1nc(-c2cccc(Br)c2)cs1 1872763880 XVWRSAADZUKRHS-GOSISDBHSA-N 441.350 5.608 30 10 IKEE CCc1cccc(CC)c1N1C[C@@H](C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)CC1=O 1872768086 JBQTZIVGJLVOQB-LEWJYISDSA-N 443.572 5.164 30 10 IKEE CC[C@H](C)N1C(=O)c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)cc2C1=O 1872770371 REGSBLNINOAQJA-YWZLYKJASA-N 443.528 5.003 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(F)cc3)n2)c1 1872781122 PEYDNMVTNHPLJA-WUTDNEBXSA-N 436.508 5.636 30 10 IKEE CCCc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)cc1 1872787818 SAOCHEWLZDQFIZ-NRFANRHFSA-N 434.561 5.643 30 10 IKEE O=C(Nc1ccc(F)c(F)c1)c1cccc(COc2c(F)c(F)c(F)c(F)c2F)c1 1872842349 FJMPKPPBPRSBBX-UHFFFAOYSA-N 429.291 5.492 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H]2CCCC[C@@H]2C)=C(c2ccc(OC)cc2)C1=O 1873142612 NXEFCZRDWZEAEA-UGKGYDQZSA-N 426.601 5.304 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2OCCC)=C(c2cccc(Cl)c2Cl)C1=O 1873341966 WMUBSVVUCJPKKH-UHFFFAOYSA-N 431.319 5.160 30 10 IKEE CSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1c(F)cccc1Cl 1874203609 KGPMFEXIUCUJJY-GZIVZEMBSA-N 445.734 5.561 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1ccccc1C 1874224439 LGMHVJSIBIJBDZ-YZSQISJMSA-N 434.609 5.711 30 10 IKEE C=C(C)CSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1ccccc1C 1874225702 YPASRCQZGZXKQA-WGOQTCKBSA-N 434.609 5.765 30 10 IKEE CSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874245538 JTQCPESHYJVPCR-YDZHTSKRSA-N 435.380 5.509 30 10 IKEE CCCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1cccc(OC)c1O 1874271192 IZPRMUAZNQWCET-PCLIKHOPSA-N 432.549 5.121 30 10 IKEE Cc1cccc(OCc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccc[nH]2)c1C 1874321703 FSXKKOLMACJSJW-LGJNPRDNSA-N 435.528 5.116 30 10 IKEE Clc1ccccc1CSc1nnc(CCOc2ccccc2)n1/N=C/c1ccc[nH]1 1874346545 USFJBQRBKGPJHZ-MFKUBSTISA-N 437.956 5.056 30 10 IKEE CCCSc1nnc(CCOc2ccccc2)n1/N=C/c1c(Cl)cccc1Cl 1874347109 WRYUAICOJPZHDC-OEAKJJBVSA-N 435.380 5.591 30 10 IKEE COc1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SCc2cccc(C)c2)cc1 1874373434 JZHRGAVRUGKXTG-JVWAILMASA-N 446.551 5.500 30 10 IKEE CCc1ccc(/C=N/n2c(COc3ccccc3)nnc2SCCc2ccccc2)cc1 1874384614 ZKIOSWIGEZGBEB-ZXVVBBHZSA-N 442.588 5.637 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc(C(C)C)cc1 1874479652 KTPLMACYAZROPB-MFKUBSTISA-N 427.017 6.572 30 10 IKEE O=C(O)c1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CCC2)cc1 1874496773 DFNZFPYBAODLAB-FSJBWODESA-N 426.929 5.072 30 10 IKEE COc1cccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CCC2)c1OC 1874497542 OMRBUVAGBKFALG-ZMOGYAJESA-N 442.972 5.391 30 10 IKEE CCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874504667 YRGYNDMJBXISIQ-WGOQTCKBSA-N 449.624 5.450 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCc3ccccc3)nnc2C2CC2)cc1OC 1874519970 UYJVPBUHBMHFJF-PCLIKHOPSA-N 436.581 5.518 30 10 IKEE CCOc1cc(/C=N/n2c(S)nnc2C2CCCC2)ccc1OCc1ccccc1F 1874559902 WEWAVKAKNXKUQV-AFUMVMLFSA-N 440.544 5.223 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccc(C)c(C)c2)cc1 1874573413 MZLHCUHRQUGSMT-FBMGVBCBSA-N 441.571 6.560 30 10 IKEE Cc1cc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2C)ccc1F 1874581223 CCIAXYSREVUZMW-DHZHZOJOSA-N 437.898 6.010 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Br)cc(OC)c2OCC)c(OCC)c1 1874589494 OPMZGCNUIQZZJU-DHZHZOJOSA-N 449.341 5.550 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1OCc1ccc(Cl)c(Cl)c1 1874594283 BJZJNFCJLQFPHB-FPYGCLRLSA-N 449.280 6.755 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OCC(=O)Nc1ccc(C)c(C)c1 1874595959 CPCYWMAHFNYFBU-MDWZMJQESA-N 429.516 5.534 30 10 IKEE Cc1ccc(NC(=O)COc2cccc(/C=C/C(=O)c3ccc(Cl)c(Cl)c3)c2)cc1 1874595969 CSUOLTFSHBJFSE-KPKJPENVSA-N 440.326 6.215 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)c(C)c1 1874600503 PLLPANOZIPDYOU-CSKARUKUSA-N 425.355 7.394 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cccc(OCc2c(F)cccc2Cl)c1 1874600611 VBRFMQLWALJMPN-MDZDMXLPSA-N 445.317 6.925 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OCc1cc(C)ccc1C 1874603073 LENNLKONYAINIT-GXDHUFHOSA-N 426.556 6.666 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1Cl)Nc1ccccc1 1874612391 RUJNFXKCRUIFGH-PKNBQFBNSA-N 426.299 5.907 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(OC)c1OCC(=O)NCCC 1874623159 ONYPABMVVDLDGS-CCEZHUSRSA-N 443.543 5.378 30 10 IKEE O=C(/C=C/c1ccc(OCCO)c(Br)c1)c1ccc(Oc2ccccc2)cc1 1874628240 SPUGBHDUNOJZAP-WUXMJOGZSA-N 439.305 5.509 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)ccc1OCC(=O)OCC(C)C 1874638610 JCMQEFBFZQWUGZ-FMIVXFBMSA-N 448.515 5.331 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cc(Cl)ccc3OC)c2)cc1 1874695868 WHUVLCRPCHYOTD-RVDMUPIBSA-N 448.946 6.807 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cccc(OCC)c3)c2)cc1 1874696118 JNXXWMJCZKFINX-OBGWFSINSA-N 428.528 6.543 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1cccc(/C=C/C(=O)c2cccc(Cl)c2)c1 1874699135 GHKKHUKAMUANPI-BUHFOSPRSA-N 436.891 5.619 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 1874704208 BVNSYISYTWVFFC-PKNBQFBNSA-N 431.444 5.336 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1OC(=O)Cc1ccccc1 1874710603 FXRNIHLHTUPKFK-ACCUITESSA-N 428.528 5.973 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2cccc(OC(=O)Cc3cccs3)c2)cc1Cl 1874713723 LJZPODLSQGWTLL-CMDGGOBGSA-N 442.920 5.463 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2Cl)cc1 1875133216 KJZLJVSPHXRYHF-RIYZIHGNSA-N 448.946 6.481 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(C)c3)cc2)cc1 1875141032 JZVDLOXPZJVDRW-OVCLIPMQSA-N 432.491 5.967 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc(Cl)c1OC(=O)C1CC1 1875191108 CTSCHARFPDLZPH-FARCUNLSSA-N 425.695 5.867 30 10 IKEE C=CC1(CC(=O)[C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCC1 1875650468 MWWDSTOXWWFHPI-NDEPHWFRSA-N 442.555 6.194 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)[C@H]2CC[C@H]21 1907787470 DIBXCBAQMGZBCP-XLNZFTOWSA-N 427.545 5.110 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1ccc(NC(=O)OC(C)(C)C)c(Cl)c1 1922106849 HGTPWOAUCYYBCW-JOCHJYFZSA-N 430.976 6.111 30 10 IKEE CC(C)(C)OC(=O)N1CC(C)(C)[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 1996502009 AVRLMFWXNKJGIG-QHCPKHFHSA-N 433.524 5.106 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@H]1CCC2(CCC2)N(C(=O)OC(C)(C)C)C1 2014026022 MCYDLPNUJILPCY-XZOQPEGZSA-N 428.617 5.307 30 10 IKEE CC(C)(C)OC(=O)NCC[C@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 2037234009 WOESQBNAPSOEOC-OSPHWJPCSA-N 447.551 5.544 30 10 IKEE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2037942449 NZQNQNGPEMZKKO-NEEULUBSSA-N 439.644 5.997 30 10 IKEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](N(CCCNC(=O)OC(C)(C)C)Cc2ccccc2)C1 2054253579 QVTJJYWTSRFIPM-SMIHKQSGSA-N 441.660 6.148 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Cl)c(Br)c1F 2063090958 XQQZVSUGAPWWMN-BBRMVZONSA-N 435.765 5.362 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@H](C#N)[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2073118316 JWOWFIJNATWRSL-QFBILLFUSA-N 447.551 5.495 30 10 IKEE Cc1ccc([C@H](n2nc(C3CCC3)c(C#N)c2I)C(C)(C)C)c(O)c1 2078999124 KUVHDISSITYDSW-SFHVURJKSA-N 449.336 5.276 30 10 IKEE Cc1ccc([C@@H](C2CCC2)n2nc(C3CCC3)c(C#N)c2I)cc1F 2079126708 CJSVVWKMLCLLJF-LJQANCHMSA-N 449.311 5.464 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(Cc3ccccc3)C(C)(C)C2)cc1 2079241297 VGPRLIRIPPAWSI-MHZLTWQESA-N 433.596 6.074 30 10 IKEE CCc1nn([C@@H](c2ccc(C3CCC3)cc2)C2CCC2)c(I)c1C#N 2079902418 GRUGYLHQYGPVEU-HXUWFJFHSA-N 445.348 5.579 30 10 IKEE CC1([C@H](c2ccc(C(F)(F)F)cc2)n2nc(C(F)F)c(C#N)c2Br)CC1 2079928065 ALGLMHWQTHQVFN-ZDUSSCGKSA-N 434.206 5.863 30 10 IKEE COc1ccc([C@H](C2CCC2)n2nc(C(C)(C)C)c(C=NO)c2Br)cc1C 2080006298 KIJKCKKEEBVUJX-SFHVURJKSA-N 434.378 5.458 30 10 IKEE Cc1nn([C@H](c2ccc(C(F)(F)F)cc2)C2(C)CC2)c(I)c1C#N 2080030420 MPHDHRIQFDOJMK-CQSZACIVSA-N 445.226 5.076 30 10 IKEE CCCOc1ccc([C@@H](C2CCC2)n2nc(C3CCC3)c(C#N)c2Br)cc1 2080069467 RBKOOPQXEBKZTB-OAQYLSRUSA-N 428.374 5.963 30 10 IKEE Fc1cc(-c2c(C(F)(F)F)nn(C(F)F)c2Br)ccc1C(F)(F)F 2080793870 XFJWVECHQLXJEY-UHFFFAOYSA-N 427.064 5.884 30 10 IKEE C=CCCCCCCCCC[C@@H](N)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2086280563 IROUNJLCZNKOCX-ICDZXHCJSA-N 446.676 6.509 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@@H](C#N)c1cc(O)ccc1Br 2088247400 YIABNXZTUOFQBF-KRWDZBQOSA-N 437.721 5.814 30 10 IKEE CN[C@H](CC#CC1CCCCC1)c1ccc(I)c(Br)c1 2149857358 HXGPIHPHDGGTKH-QGZVFWFLSA-N 446.170 5.288 30 10 IKEE CC1(C)OB(c2ccc(Cl)cc2NC(=O)c2scc(Cl)c2Cl)OC1(C)C 2152511541 BRICJOLNDGSTCN-UHFFFAOYSA-N 432.565 5.260 30 10 IKEE C[C@H](NC(=O)OC(C)(C)C)c1cccc(Nc2ccc(C#N)c(Br)c2F)c1 2162330620 OGVOKSZEAQBJBA-LBPRGKRZSA-N 434.309 5.789 30 10 IKEE C=CCCCCCCCCC(=O)c1ccc(I)c(Br)c1 2207424382 DTMVMXBPIOAJGR-UHFFFAOYSA-N 449.170 6.543 30 10 IKEE CCCc1ccc(C#CC(=O)C[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1 2223325393 ZLMDYFSKPUUEBC-XMMPIXPASA-N 435.564 5.060 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C1CC1 2246528265 WXTDDJPETARBKX-KMDXXIMOSA-N 428.617 5.163 30 10 IKEE CC[C@H](C)N(Cc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2247964561 AAHMETKXKUXBPW-KRWDZBQOSA-N 427.781 5.080 30 10 IKEE C=C(COCc1ccccc1)[C@@]1(OCC(=O)O)CN(Cc2ccccc2)C2(CCCCC2)C1 2275810106 ZZCCGOIMFVIXOA-NDEPHWFRSA-N 449.591 5.208 30 10 IKEE C=CCCC1([C@@H](NCCC)c2sc(Cl)nc2Cl)CN(C(=O)OC(C)(C)C)C1 2281051831 XWRPNWOHOLCIMJ-AWEZNQCLSA-N 434.433 5.694 30 10 IKEE C=CCCC1([C@H](NCC)c2c(F)cccc2Br)CN(C(=O)OC(C)(C)C)C1 2281054634 ZLKDSMPCOCOUGH-GOSISDBHSA-N 441.385 5.442 30 10 IKEE CN[C@@H](C#Cc1ccccc1F)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2281374334 ZXOGGRAUGMLNSS-SFHVURJKSA-N 433.321 5.247 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)C#Cc1cccc(Br)c1 2296231171 ASHCXQGZJBAANC-IBGZPJMESA-N 434.374 5.233 30 10 IKEE COc1cccc(C=C2Oc3cc(OCc4ccc(Br)cc4)ccc3C2=O)c1 2296865804 IHRNXPJWAIMQEC-UHFFFAOYSA-N 437.289 5.653 30 10 IKEE C[C@H]1CCC(=CC=Cc2ccccc2[N+](=O)[O-])C(=O)C1=CC=Cc1ccccc1[N+](=O)[O-] 2297454547 QHSOFLQDNNTTDE-SFHVURJKSA-N 430.460 6.081 30 10 IKEE CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC(=Cc5cn(C)nc5C)C(=O)[C@@]4(C)CC[C@@H]32)C1 2297556275 DXRJBJUDWMWZPC-AROXNORKSA-N 436.596 5.185 30 10 IKEE CC(C)(C)OC(=O)NC1([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2)CCCCC1 2302429610 XADISGPILZPJLH-IBGZPJMESA-N 429.561 5.548 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1 2314429533 JGLBERMYFSAIDL-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE CC(C)(C)OC(=O)NC1([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)CCCCC1 2318689831 FCKROVOOEWPZIR-LJQANCHMSA-N 447.551 5.687 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCc4c(Cl)cccc4Cl)c3C)C2=O)cc1 2321779728 JZSICOFZBNMHFO-UHFFFAOYSA-N 425.311 6.805 30 10 IKEE CCCCCCCCN1COc2ccc3c(c2C1)OC(=Cc1cccc(Cl)c1)C3=O 2322188396 RVXHLYHXQXKBNX-UHFFFAOYSA-N 425.956 6.469 30 10 IKEE CCc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCc2cccs2)C4)cc1 2322197137 WVUULOSYCXEJQC-UHFFFAOYSA-N 431.557 5.630 30 10 IKEE CCCCCCCCCCN1COc2c(cc3c(c2C)OC(=Cc2ccncc2)C3=O)C1 2322391021 LWKMXRHYIPZVML-UHFFFAOYSA-N 434.580 6.299 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(Cl)cc2Cl)c1OCc1ccccc1C 2322391354 ZWEVQRFPFKEUAH-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE C[C@@H](NC(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccccc1)c1ccccc1 2322545499 IPXWSEYQSIHPIO-OAQYLSRUSA-N 435.523 5.992 30 10 IKEE Cc1ccc(C(=O)C=Cc2c(OCc3cccc4ccccc34)ccc3ccccc23)c(C)c1 2322570102 UHMVTSQNZDBHNY-UHFFFAOYSA-N 442.558 8.085 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)c1OCc1ccc(C)cc1 2322687383 ILXWPWZSICFLRB-UHFFFAOYSA-N 448.990 7.430 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)cc1C 2323078633 CDYMERBSHPJXJO-UHFFFAOYSA-N 433.460 5.396 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1)NCc1ccccc1 2323419450 HOWUSPKEJNPHTR-UHFFFAOYSA-N 425.528 5.157 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2OC)C3=O)CC1 2323652509 VLMDBOCXTDVBCT-UHFFFAOYSA-N 448.559 6.522 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Cl)c1OCC(=O)OCC(C)C 2323719461 VOULSSDIRYXAHX-UHFFFAOYSA-N 438.854 5.101 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2OC)C3=O)c1 2323800692 NOOCBYSKVNOXRN-UHFFFAOYSA-N 430.456 5.238 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCc3cc(C)ccc3C)c(Br)c2)c(C)c1 2323857940 FSVOGMSVCUEENG-UHFFFAOYSA-N 449.388 7.158 30 10 IKEE CCOc1c(OC)cc(C=NNc2nc(-c3ccc(Cl)cc3)cs2)cc1[N+](=O)[O-] 2323864839 NUFCBXKDWJCELV-UHFFFAOYSA-N 432.889 5.225 30 10 IKEE CCCN(CCC)C(=O)COc1c(Cl)cc(C=CC(=O)c2ccc(C)cc2)cc1OC 2323896063 HDMXKCCIJAYWCI-UHFFFAOYSA-N 443.971 5.581 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(OC)c(OCc3ccccc3C)c(OC)c2)cc1 2323921576 BEESQLPZXFEGQX-UHFFFAOYSA-N 446.543 6.276 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cc(OC)c(OCc3cccc(C)c3)c(OC)c2)c1 2324016803 BYMXDCWHOSEUSV-UHFFFAOYSA-N 448.515 5.505 30 10 IKEE Cc1cc(O)c(CN(C)C2CCCCC2)c2c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O2 2324077378 VBFQDBIPSUYQEF-UHFFFAOYSA-N 446.374 6.388 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)cc(Cl)c1OCc1cccc(C)c1 2324128338 MVVQUXXRHPMXOH-UHFFFAOYSA-N 442.942 7.285 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2cccc3ccccc23)cc1Cl)NCc1ccco1 2324129701 YTIOUMQPQFFPBB-UHFFFAOYSA-N 445.902 5.678 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OCC(=O)Nc1ccccc1F 2324175879 JGXWBMUNFMHKCK-UHFFFAOYSA-N 447.506 5.871 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OCc1cc(C)ccc1C 2324319885 UNDNZJYUVQLZJH-UHFFFAOYSA-N 430.544 6.413 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3)cc2)c1 2324383480 OYJCCCOZBJHUJT-UHFFFAOYSA-N 436.935 6.613 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(C)cc2)C3=O)cc1 2324451308 XNTUHAQIBYEQSB-KRWDZBQOSA-N 429.472 5.026 30 10 IKEE C[C@H](Oc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O)C(=O)Nc1ccc(Cl)cc1 2324609864 XUJLZJGFIZPKHL-AWEZNQCLSA-N 437.854 5.501 30 10 IKEE CCOC(COc1ccc2c(c1C)OC(=Cc1cccc(Br)c1)C2=O)OCC 2324741750 FBVYNCMDCRBCMN-UHFFFAOYSA-N 447.325 5.152 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1OC(=O)c1ccncc1 2325668871 IZBOANICFVWONC-UHFFFAOYSA-N 435.479 5.873 30 10 IKEE COc1cccc(COc2cc(C)c3c(c2)OC(=Cc2ccc(-c4ccccc4)cc2)C3=O)c1 2325699769 AMENDKYOOMJWJQ-UHFFFAOYSA-N 448.518 6.866 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1OC(=O)Cc1ccc(C)cc1 2325700851 USIDFOLKZVFRNW-UHFFFAOYSA-N 440.539 5.927 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC(=O)CC34CC5CC(CC(C5)C3)C4)c2)cc1 2325706039 WQHAWXBUMABFMB-UHFFFAOYSA-N 428.572 6.657 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2Cl)cc1OC(=O)c1cc2ccccc2n1C 2325717343 UKAIQWVPDFSTPG-UHFFFAOYSA-N 445.902 5.956 30 10 IKEE Cc1cc(C(=O)Oc2cccc(C=CC(=O)c3cccc4ccccc34)c2)ccc1[N+](=O)[O-] 2325750058 LUFGLMHEGWEVDV-UHFFFAOYSA-N 437.451 6.172 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1cn(CC)c2ccccc12 2326416012 YKWKFSBVIBZTQR-UHFFFAOYSA-N 431.609 5.997 30 10 IKEE CSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc(Cl)cc1Cl 2327915561 SGNCEFSVSZLODS-UHFFFAOYSA-N 425.772 5.628 30 10 IKEE Cc1ccc(CSc2nnc(CCCOc3ccccc3)n2N=Cc2cccnc2)cc1 2328711715 KFNSICKEXRKHBM-UHFFFAOYSA-N 443.576 5.168 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1ccc(OCC)cc1 2328791959 XVRMMWIZSASPIS-UHFFFAOYSA-N 436.581 5.423 30 10 IKEE Cc1ccccc1CSc1nnc(COc2cccc(C)c2C)n1N=Cc1ccccn1 2328821258 VQSHSQUDVMUKII-UHFFFAOYSA-N 443.576 5.352 30 10 IKEE Cc1cccc(CSc2nnc(COc3cccc(C)c3C)n2N=Cc2ccco2)c1 2328827668 WMJSKRSLGLYIBD-UHFFFAOYSA-N 432.549 5.550 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccccc3Cl)n2N=Cc2ccccc2F)cc1 2329524157 JIXUFWQGYSUAIV-UHFFFAOYSA-N 436.943 6.221 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccccc3Cl)n2N=Cc2cccnc2)cc1 2329604514 WHJSWQSKAWTSHZ-UHFFFAOYSA-N 440.359 5.821 30 10 IKEE Oc1ccccc1C=Nn1c(CCc2cccs2)nnc1SCc1cccc(F)c1 2329644799 HKZJANRLYGQLKH-UHFFFAOYSA-N 438.553 5.144 30 10 IKEE Cc1ccc(O)c(C=Nn2c(CCc3ccccc3)nnc2SCc2ccccc2F)c1 2330196868 PQIVXUKPAMVPDC-UHFFFAOYSA-N 446.551 5.391 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2Cl)n1N=Cc1cccc(Cl)c1 2330854575 KRENSOYOHWXZAN-UHFFFAOYSA-N 433.408 6.348 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(OC)c(C)c2)cc1OC 2330854819 FJACZVFSNQXGDC-UHFFFAOYSA-N 444.955 6.438 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc([N+](=O)[O-])c1OC(=O)C(C)(C)C 2331229753 CQBMROQHXDXBQM-UHFFFAOYSA-N 425.481 5.458 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)COc1ccc(Cl)cc1 2331293174 CYONGYOPYBKLLT-UHFFFAOYSA-N 436.891 5.538 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)cc(Br)c1OC(=O)CC 2331376272 QANWZDWSKHHDGY-UHFFFAOYSA-N 447.325 5.376 30 10 IKEE CC(C)(C)c1nnc(SCc2ccccc2Cl)n1N=Cc1ccccc1[N+](=O)[O-] 2331397872 BZVPIWNMHXOJRA-UHFFFAOYSA-N 429.933 5.312 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2cccc(C)c2)cc1 2331635398 YNDONCPCDOPXAG-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(F)cc1F 2331657472 NLHPQKLIWUKVMU-UHFFFAOYSA-N 441.334 5.990 30 10 IKEE CCCc1nnc(SCC(=O)N(CCC)CCC)n1N=Cc1cccc2ccccc12 2331659471 ISRBKHAPUAXMEL-UHFFFAOYSA-N 437.613 5.007 30 10 IKEE CC(C)c1nnc(SCc2ccccc2F)n1N=Cc1cccc(Br)c1 2331698615 VKKRXUXHHUZOIM-UHFFFAOYSA-N 433.350 5.478 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)CC(C)C)c(Br)c2)c(C)c1 2331768896 YRDJTSTXSGZKRD-UHFFFAOYSA-N 429.354 6.222 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Br)cc(COC)c1 2362282395 SVDRLKZTIYZKMN-OALUTQOASA-N 441.410 5.106 30 10 IKEE CC#CCN(C[C@H](NCCC)c1c(F)cc(Br)cc1F)C(=O)OC(C)(C)C 2363122171 KDEVKZKBDLFQLP-KRWDZBQOSA-N 445.348 5.028 30 10 IKEE Cc1cc(CNc2cccc(Cl)c2Br)cc(B2OC(C)(C)C(C)(C)O2)c1 2369676782 BXSLOWPXNGYJFZ-UHFFFAOYSA-N 436.586 5.322 30 10 IKEE Cc1ccc(S(=O)(=O)O/C(=C/C[C@H](C)CC(C)(C)C)n2nnc3ccccc32)cc1 5752935 XELKAHXATZDJPO-LUJYGJGBSA-N 427.570 5.406 30 10 IKEE Cc1ccc(NS(=O)(=O)c2ccc(/N=C/c3cc(Cl)cc(Cl)c3O)cc2)c(C)c1 12482254 PFNNFXYPQMYXBA-WYMPLXKRSA-N 449.359 5.867 30 10 IKEE CC(C)COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2c(F)cccc2Cl)cc1 21244015 WXGKSPXZNRRISV-FUHWJXTLSA-N 441.930 5.518 30 10 IKEE Cc1cc(S[C@@H](C)C(=O)Nc2c(C#N)cnn2-c2ccccc2)nc2c(C)cccc12 32528737 SBCNHSBYDUAFMP-KRWDZBQOSA-N 427.533 5.028 30 10 IKEE O=C(/C=C\c1cccs1)c1ccc(OS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 33579204 ARKMGMHJSPBTRC-NTMALXAHSA-N 439.341 5.719 30 10 IKEE CO/N=C1/C[C@@H]2[C@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@@H]1/C(C)=N/OC 36505411 KLCZPBNZZJGNRW-HIDIMLOCSA-N 432.605 5.212 30 10 IKEE CCCCCCCOc1ccc(NC(=O)CNc2ccc(OCCC(C)C)cc2)cc1 100076974 YNTYRJLSJOOHPN-UHFFFAOYSA-N 426.601 6.511 30 10 IKEE CCCCCCCCCCn1c(CCCNC(=O)c2ccc(OC)cc2)nc2ccccc21 102154226 RWGBZSVYDMQDMF-UHFFFAOYSA-N 449.639 6.548 30 10 IKEE CCCCCCCCCCCn1c(CCCCCNC(=O)C(C)(C)C)nc2ccccc21 102164607 IUPPVPNASBJFGH-UHFFFAOYSA-N 441.704 7.442 30 10 IKEE CCCCCCCCCCCC(=O)N1CCCN(c2nc(C)nc(C)c2C(C)C)CC1 102999882 XPNOMNCYUUWDNH-UHFFFAOYSA-N 430.681 6.176 30 10 IKEE O=C(/C=C\c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O 103022623 NXHQZHWFMNLASK-BALVHSCJSA-N 447.284 5.684 30 10 IKEE CCCN1C(=O)/C(=C\c2cccc(Cl)c2Cl)S/C1=N/c1cccc2ccccc12 105789417 MPRHKGIDUIXRRP-KJSLDKNGSA-N 441.383 7.161 30 10 IKEE CCCCCOc1ccc(/C=N\Nc2nc(-c3ccc(OC)cc3OC)cs2)cc1 169943434 FGXOQUUDJGPFQI-IWIPYMOSSA-N 425.554 5.842 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1ccc(C)cc1 169944749 PRLJZOLRAIIKBI-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2cccc(C)c2)cc1 169969412 JCSXYRXGMWWLLT-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE CCCCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@H]2c2ccccn2)cc1 169993405 DEOFWZWOGOYWQM-XMMPIXPASA-N 442.515 5.216 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccccn2)cc1Cl 169996426 YMGSAQGNEFSTME-JOCHJYFZSA-N 444.874 5.573 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccnc1 170006235 NVISPENYTIZRFB-HXUWFJFHSA-N 439.298 5.480 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccncc1 170018857 AOKXJNVAYCZTDF-HXUWFJFHSA-N 439.298 5.480 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2cccc(C)c2)cc1 170028528 WPEYYYQEQJBOIH-AREMUKBSSA-N 441.527 5.496 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2cccc(C)c2)c1 170035761 XYNWINWVISTUCI-VWLOTQADSA-N 441.527 5.793 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccccc2)c1 170047510 CDIAQELVAJAYOR-SANMLTNESA-N 449.506 6.021 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)[C@H]2c2ccccc2)s1 170053919 JXAZKQIIOJCXTP-NRFANRHFSA-N 448.544 5.330 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1cccnc1)c1ccc2ccccc2c1 170189025 AYOGMTZSNVGDLF-QHCPKHFHSA-N 440.886 5.671 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2cccc3ccccc23)c1 170220993 WPZAXEFNTWTSBN-XMMPIXPASA-N 429.516 5.617 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1ccccc1F 170252702 NPYCXNMVTHDEMW-FQEVSTJZSA-N 427.859 5.604 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cccc(O)c1 170259827 WXMPKXSIWPWMPS-RUZDIDTESA-N 439.511 5.362 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2C2CCCCC2)cc1 170266731 GUSXNYHHZKHBDO-CRICUBBOSA-N 445.559 5.483 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2C)cc1Cl 170272114 QVABALNSEGAQJL-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C(C)C)c3)[C@H]2c2ccco2)c1 170278722 ARNROUPYTYYWJE-HSZRJFAPSA-N 447.487 5.203 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)c(OC)cc3C)[C@@H]2c2ccco2)c1 170279219 JARJDLRPXAXLFB-QHCPKHFHSA-N 447.487 5.087 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@@H]1c1ccc(C)o1 170300209 ZYEZAZMQKGDWHL-JOCHJYFZSA-N 435.451 5.135 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccc(C)o2)cc1C 170301898 KILPCPAQWRJPLE-XMMPIXPASA-N 445.515 5.613 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@@H]1c1sccc1C 170319268 IALTUFZLHIQKRK-LJQANCHMSA-N 427.566 5.450 30 10 IKEE COc1cccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2Cc2cccc(C(F)(F)F)c2)c1 170431531 KBFIHMVZFYASBC-NRFANRHFSA-N 447.453 5.225 30 10 IKEE Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3ccc(N(C)C)cc3)sc2c1 170447108 PILXRUUMCFYGFT-QFIPXVFZSA-N 449.576 5.186 30 10 IKEE Cc1cccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(CC(=O)OC(C)C)cc2)c1 170459817 BAVWUGQRHYXDIP-QHCPKHFHSA-N 449.547 5.004 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1C12CC3CC(CC(C3)C1)C2 253575086 UFDBMSLMSNPKSC-UHFFFAOYSA-N 443.016 5.316 30 10 IKEE CC[C@H]1CN(C(=O)C(c2ccccc2)c2ccccc2)C(=Nc2cccc(OC)c2)S1 254838236 AIBDGDCKNZTOLP-QHCPKHFHSA-N 430.573 5.869 30 10 IKEE CCCCCCCCCCC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]12C 306121437 GRAAWEGTURLYKP-VUKPHJNGSA-N 442.684 7.571 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2c(C)[nH]c3ccccc23)cc1 526605007 RZTMOXHSUCIJFC-VWLOTQADSA-N 435.483 5.414 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(C(C)C)cc2)c1 526606477 KSAPYMDZLWCONU-AREMUKBSSA-N 438.527 6.138 30 10 IKEE CC(C)Oc1ccc(/C=N\n2cnnc2SCc2ccc(C(C)(C)C)cc2)cc1Cl 526805759 PKCIKKFADHMPOM-ZMFRSBBQSA-N 443.016 6.191 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1cc(Cl)c(O)c(OCC)c1 526807683 CIRSHUMCQXZFFQ-CFRMEGHHSA-N 444.988 5.471 30 10 IKEE COc1ccccc1/C=N\n1c(Cc2ccccc2)nnc1SCc1ccccc1Cl 526817068 OJSDOVMJNYDTIX-QQXSKIMKSA-N 448.979 5.705 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1cccc([N+](=O)[O-])c1 526817816 CACHCSCQDMWKLT-JJFYIABZSA-N 433.896 5.106 30 10 IKEE CC(C)Oc1ccc(S(=O)(=O)N(CCC2=CCCCC2)Cc2ccc(C#N)cc2)cc1 586149990 CLQYDHNZKLUPGC-UHFFFAOYSA-N 438.593 5.427 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Br)c(F)c1F 689628843 RYPLEBZJXSBLFE-WMLDXEAASA-N 433.337 5.237 30 10 IKEE C=CCCCCCNc1cc(I)cc(I)c1 690320259 GAVPXFGMTOHREP-UHFFFAOYSA-N 441.094 5.054 30 10 IKEE N#C[C@H](C(=O)/C=C\Sc1cc(F)ccc1F)c1nc(O)c2c3c(sc2n1)CCCC3 797938874 NVDCTVFZYJRSBY-MEJMFZKBSA-N 443.500 5.036 30 10 IKEE Cc1cc(C=Nc2ccc(Cl)cc2Cl)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 1083905444 LXUIIKLQOBDNAM-UHFFFAOYSA-N 431.275 5.548 30 10 IKEE C/C=C1/C(=O)[C@@H]2[C@H]3CC[C@@H]([C@H](C)CCC(=O)OC)[C@]3(C)CC[C@H]2[C@@]2(C)CC[C@H](O)C[C@H]12 1307249647 SXDZXAFUWCERDJ-GXXXELPQSA-N 430.629 5.331 30 10 IKEE CN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)SC1=Nc1ccncc1Cl 1772733336 MSQBTMMXJRVVSU-WEYXMBDUSA-N 430.316 5.882 30 10 IKEE CCCCCCCCCCNC(=O)c1cnc2c(c1)c(C)nn2-c1cccc(Cl)c1 1859671090 IHPZVYYMJWVFEH-UHFFFAOYSA-N 426.992 6.253 30 10 IKEE C=CCN(CC=C)C(=O)c1ccnc(NC(=O)CC(c2ccccc2)c2ccccc2)c1 1860533109 PQAKWEQVBPFMBU-UHFFFAOYSA-N 425.532 5.057 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)COc1ccc(Cl)cc1 1861731917 LAINMRHZEJORIP-HSZRJFAPSA-N 425.013 5.261 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CCC(C)C)cc1 1862385469 QEWVINSAUSWKCK-HXUWFJFHSA-N 448.346 5.626 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2C)cc1 1862389305 CPVWXBDHXCKHLS-VWLOTQADSA-N 431.576 6.249 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@H]2c2ccccc2C)c1 1862429476 ODFDYINAMPNCPM-HSZRJFAPSA-N 431.919 5.735 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@@H]1c1cccc(F)c1)c1cccc(Cl)c1 1862444790 HIDXXZZLYCGXBM-HSZRJFAPSA-N 449.909 5.690 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)cc1 1862445510 XJOVCRYPRCTZOQ-POCHDABASA-N 437.967 6.059 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2C2CCCCCC2)cc1 1862455846 DIXWBAXTZVKNJB-JOCHJYFZSA-N 443.465 5.713 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc3ccccc23)c1 1862494467 MJXCLFGXDCZABT-RUZDIDTESA-N 425.528 5.978 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(Cl)cc1 1862526381 FIZAYGLNOBLLLA-SFHVURJKSA-N 448.744 5.481 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(F)cc1 1862530063 MTLPVXHIQFXVEZ-VWNXMTODSA-N 437.555 6.325 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2ccc(OC)cc2)cc1 1862535928 MWFDIWOMEZCURZ-RUZDIDTESA-N 441.527 5.345 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2ccc(Cl)cc2)c1 1862557971 RWOYJSABJCHOSN-QFIPXVFZSA-N 432.907 5.009 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2c(Cl)cccc2Cl)cc1 1862622766 HNYBMMYSCFWKAU-HXUWFJFHSA-N 444.358 6.032 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862660840 NKWLMBFBUITUCX-RUZDIDTESA-N 443.543 6.305 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCOc2ccccc2)cc1 1862673543 MISJOJLBVBGQHJ-DEOSSOPVSA-N 445.490 5.045 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(C(C)C)c(C)c3)C2=O)cc1 1862899300 VOADKQUYDMPOCM-UHFFFAOYSA-N 435.527 5.695 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N(Cc1ccccc1)c1ccccc1 1866342433 LKUOKYKZEXYOAI-UHFFFAOYSA-N 449.723 9.481 30 10 IKEE Cc1ccc(/C(=C/C(=O)N[C@H](C(=O)Nc2ccc(C#N)cc2)c2ccccc2)C2CC2)cc1C 1866692286 NJBWLIJGJTZKHQ-RGFRMHDHSA-N 449.554 5.465 30 10 IKEE Cc1ccc(-c2nc(Nc3cccc(C#N)c3)cc(N(C)CC(C)(C)c3ccccc3)n2)cc1 1868312543 JWXQMGMCNRVXDG-UHFFFAOYSA-N 447.586 6.481 30 10 IKEE C=CCN(CC=C)c1cc(N(C)CC(C)(C)c2ccccc2)nc(-c2ccc(Cl)cc2)n1 1869259437 HNWHVEPIDMTOIO-UHFFFAOYSA-N 447.026 6.389 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCCCCC1 1870349344 KCFHIYIDHNIRPA-UHFFFAOYSA-N 449.639 6.035 30 10 IKEE CCCCCCCCn1cc(OCC(=O)N[C@H](C)CC)c(=O)cc1CN(CC)CCCC 1870528616 PPJVSVJQTAKDPV-JOCHJYFZSA-N 449.680 5.124 30 10 IKEE CCCCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CN1C[C@@H](C)O[C@H](C)C1 1870611893 DRDRLEGAIMCITQ-DNQXCXABSA-N 446.676 5.943 30 10 IKEE CCCCCCCOc1cn(Cc2cccc(C)c2)c(CNc2ccc(CC)cc2)cc1=O 1870835755 HTWNWJBODQJTOH-UHFFFAOYSA-N 446.635 6.729 30 10 IKEE CCCCCCCCCCn1cc(OC)c(=O)cc1CNc1ccc(NC(C)=O)cc1 1870998456 ZTQCYQINGCHSRE-UHFFFAOYSA-N 427.589 5.568 30 10 IKEE C=CCn1cc(OCc2ccc(F)cc2)c(=O)cc1CNc1ccc(N(CC)CC)cc1C 1871073661 OWQIQGBNDITQMK-UHFFFAOYSA-N 449.570 5.519 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(C(C)C)cc1)C3=O)CN(C1CCCCCC1)CO2 1871353528 RNFOHEVKLFDPGD-QFEZKATASA-N 431.576 6.609 30 10 IKEE O=C(Cc1cc(Cl)ccc1Cl)Oc1ccc2c(c1)O/C(=C\c1cccnc1)C2=O 1871376269 BUSFFPOHBMVRNY-ZBKNUEDVSA-N 426.255 5.153 30 10 IKEE Cc1c(OC(=O)C(C)(C)Oc2ccc(Cl)cc2)ccc2c1O/C(=C\c1ccccc1)C2=O 1871384748 HXDGVMUSSPQJSC-JCMHNJIXSA-N 448.902 6.028 30 10 IKEE CCCCC(=O)Oc1ccc2c(c1C)O/C(=C\c1cc(Br)ccc1OC)C2=O 1871385406 QSDMCQJNIMITOC-UNOMPAQXSA-N 445.309 5.478 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)c(OCC)c1 1871386875 RODOUDBXNWFWON-CFRMEGHHSA-N 448.446 5.459 30 10 IKEE Cc1cc(OCCc2ccccc2)cc2c1C(=O)/C(=C/c1ccc(Br)cc1)O2 1871400059 DQBFMFNLJGJILG-HMAPJEAMSA-N 435.317 5.995 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871409153 YOHFHDMAXBEGRR-ICODJCHTSA-N 447.918 5.979 30 10 IKEE Cc1c(OCC(=O)N[C@H](C)c2ccccc2)ccc2c1O/C(=C\c1ccccc1Cl)C2=O 1871424470 KNJHEWBZSCKMAE-NQRZERFFSA-N 447.918 5.521 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc(OC(c3ccccc3)c3ccccc3)c2C)C1=O 1871430460 AXLWWXPXHCLEJS-ULJHMMPZSA-N 438.548 7.150 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cc(C)cc(C)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872004610 QYRQWSHSQRWCIK-XUZZJYLKSA-N 442.625 5.232 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[C@H](C)CC)S(=O)(=O)c1cccs1 1872027092 ZGYKMWGWPDFQSF-UTKZUKDTSA-N 448.654 5.276 30 10 IKEE C=CCN([C@H](CCC)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1872059424 KCEMRINPLQIPTE-JOCHJYFZSA-N 446.588 5.043 30 10 IKEE COc1ccc(-c2nc([C@H](C#N)C(=O)CSCc3ccccc3)sc2C)c(OC)c1 1872728328 XJQYOTQMQKVTLG-LJQANCHMSA-N 438.574 5.245 30 10 IKEE CC(C)c1ccccc1O[C@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc3c(c2)OCO3)cs1 1872772495 FFQZGYARBKRRMR-CRAIPNDOSA-N 434.517 5.306 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)COc2ccc(Cl)cc2)n1 1872786379 IKMWHXKQIGAOHB-QGZVFWFLSA-N 447.343 5.689 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc(COc2ccc(C)c([N+](=O)[O-])c2)cc1 1872862378 IQCYMZUZEVVQIX-UHFFFAOYSA-N 426.557 6.353 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCCC)=C(c2cccc(OC)c2)C1=O 1873045084 UUMFGZYKQPLVPM-UHFFFAOYSA-N 428.617 5.696 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H]2CCCC[C@@H]2C)=C(c2ccccc2OC)C1=O 1873153259 XXUGYOMVUKVCEK-PZJWPPBQSA-N 426.601 5.304 30 10 IKEE Cc1ccc(COc2ccccc2/C=N/Nc2oc([C@@H]3C[C@H]3c3ccccc3)nc2C#N)cc1 1873470660 OFEYFVLQLXDRNJ-ACTWMIIHSA-N 448.526 6.151 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C)c2C)cc2c(NCCc3ccc(F)cc3)ncnc21 1873615806 JIGORHMMTSXVSB-UHFFFAOYSA-N 443.526 5.280 30 10 IKEE CCCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccccc1O 1874213855 IXNRKRYRHKRJSC-HZHRSRAPSA-N 430.961 5.033 30 10 IKEE COc1ccccc1CCc1nnc(SCc2ccccc2C)n1/N=C/c1ccccc1 1874311794 UBCCVZVGEJQWOO-OVVQPSECSA-N 442.588 5.555 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccc(C)c(C)c3)n2/N=C/c2ccco2)c1 1874319268 IUWSZUZQFUDZAD-AFUMVMLFSA-N 432.549 5.550 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccc[nH]2)c(C)c1 1874325811 IYPBVJGVKGPSFW-LGJNPRDNSA-N 435.528 5.116 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874358434 HUTJCAHHNRHQOK-JVWAILMASA-N 432.637 6.334 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2cccc(F)c2)cc1C 1874358757 YGVJWPLIGHCKRP-MTDXEUNCSA-N 444.579 5.842 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3F)n2/N=C/c2ccc(O)cc2)cc1 1874389113 HLKWSHFRSYEBFQ-CVKSISIWSA-N 432.524 5.197 30 10 IKEE C=C(C)CSc1nnc(Cc2cccs2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874412228 IZJAEAIAHAIIPS-KEBDBYFISA-N 433.946 5.042 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCCC)nnc2-c2cccs2)cc1OCC 1874424176 YBEQOPHORCUINI-XQNSMLJCSA-N 444.626 5.969 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc(O)c(O)c1 1874438605 JMHZVLDRPMWIRQ-FSJBWODESA-N 430.961 5.106 30 10 IKEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2C2CCCC2)cc1 1874452701 JCGGDEUJCOHOLA-CVKSISIWSA-N 447.608 5.474 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CCCC2)cc1O 1874455738 IRAVICTULARIDO-ZMOGYAJESA-N 442.972 5.478 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccco3)n2/N=C/c2c(F)cccc2Cl)cc1 1874463774 AOKRPFGWBKESBH-WYMPLXKRSA-N 426.904 5.814 30 10 IKEE Clc1ccccc1/C=N/n1c(SCc2ccccc2Cl)nnc1-c1ccco1 1874466788 BAIHZTWNBQQBBZ-FSJBWODESA-N 429.332 6.019 30 10 IKEE COCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1cccc(F)c1 1874474050 KOFOKCLODOUERW-FOKLQQMPSA-N 439.343 5.087 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccccc3C)nnc2C2CCC2)cc1OC 1874494814 FWPFVPQVJMOEJV-MFKUBSTISA-N 436.581 5.436 30 10 IKEE O=[N+]([O-])c1cccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CCC2)c1 1874497162 YISYEGIOGHPLRL-MFKUBSTISA-N 443.532 5.782 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCC(=O)N[C@H](C)c3ccccc3)nnc2C(C)C)cc1 1874517522 YCDXEHTXJASYHF-UAHQCSBISA-N 449.624 5.377 30 10 IKEE O=[N+]([O-])c1ccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C2CC2)cc1 1874522599 BFNJJAMGVMGGIN-LSHDLFTRSA-N 448.335 5.545 30 10 IKEE CCCCCOc1ccc(/C=N/n2cnnc2SCc2cccc(Cl)c2)cc1OC 1874540097 HXROYXZBWCOEME-AFUMVMLFSA-N 444.988 5.684 30 10 IKEE Cc1ccc(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 1874575364 JHXRWQWSQOBMMV-GXDHUFHOSA-N 430.460 5.125 30 10 IKEE CCOC(=O)c1ccc(COc2c(/C=C/C(=O)c3ccc(F)cc3F)cccc2OC)o1 1874576332 IFWCWWYNBSGXNB-YRNVUSSQSA-N 442.414 5.218 30 10 IKEE COc1cc(Br)cc(/C=C/C(=O)c2ccccc2)c1OCc1ccc(F)cc1 1874578026 RHOMRNFXNKPNHU-FMIVXFBMSA-N 441.296 6.072 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C)cc2C)c1OCc1c(Cl)cccc1Cl 1874578736 DPJOMRIMQUZANF-ACCUITESSA-N 441.354 7.094 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OCc1ccccc1C 1874622705 QMHHNJXJRWIMRG-VQHVLOKHSA-N 436.891 5.861 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc(OC)c1OCc1ccccc1C 1874623421 BSZMPCYFEDKYDU-ACCUITESSA-N 446.518 6.355 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OCc1ccccc1F 1874629076 KZAFRIAAJHELIQ-ACCUITESSA-N 432.535 6.933 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)c1C 1874629329 XPCGPRJKSAGGOC-ZRDIBKRKSA-N 447.962 6.487 30 10 IKEE CCCOc1c(OCC)cc(/C=C/C(=O)c2cc(OC)c(Cl)cc2OC)cc1[N+](=O)[O-] 1874630958 COYLVFOVZPIBBL-BQYQJAHWSA-N 449.887 5.349 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3cccs3)c2)cc1Cl 1874716936 QEHMTNNDRMTFPU-VMPITWQZSA-N 442.920 5.463 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(Cl)c1OC(=O)c1cccnc1 1875094859 MAIKBCQBHFGYGW-DHZHZOJOSA-N 443.886 6.012 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(C)cc3C)c(Cl)c2)cc1 1875100352 ZMDXPKVBWKGBJL-XYOKQWHBSA-N 448.946 6.400 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccccc1F 1875105560 AWEIWTHUIZWMDN-UXBLZVDNSA-N 445.273 6.256 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(CCCC)cc2)cc(OC)c1OC(=O)C(F)(F)F 1875108117 YPSCQMDWPWDPRI-SDNWHVSQSA-N 446.465 6.130 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(C)c(C)c1 1875116245 ROKHQBFDOVBONJ-LFYBBSHMSA-N 431.444 5.336 30 10 IKEE O=C(CC12CC3CC(CC(C3)C1)C2)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1 1875122922 OYFSQJJXXVZRST-XCVCLJGOSA-N 434.963 6.748 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC(=O)Cc1cccs1 1875125298 BMJHNQVTNYRIKN-VZUCSPMQSA-N 426.921 5.844 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)c1cccs1 1875125703 WFKZRKNDUQMMRR-KPKJPENVSA-N 438.932 6.254 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)C1CCCC1 1875134801 LVKKFRVNRBUILP-ZRDIBKRKSA-N 426.940 6.347 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)cc2)ccc1F 1875141200 SJFXRTHNTHNQSO-AWNIVKPZSA-N 448.450 5.224 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)c1ccc(C)c(C)c1 1875148513 GNUSIYBPTLBZHU-WEVVVXLNSA-N 444.483 5.199 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1Cl 1875149928 ONKMGNYRFSSUKG-RMKNXTFCSA-N 426.896 5.841 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccc(Cl)cc3)cc2)cc1 1875156136 LOHOWOMIEIANDE-REZTVBANSA-N 432.947 6.898 30 10 IKEE CCCCCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OC 1875161800 IKRBPOLHNPKTRQ-FMIVXFBMSA-N 432.463 5.754 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3)c(Cl)c2)cc1C(C)C 1875162604 HKLRLPQZQOLHNW-ZRDIBKRKSA-N 448.946 6.896 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2cc(C)ccc2C)cc1 1875170026 YUNVJOUWLKFNGF-JLHYYAGUSA-N 428.528 5.973 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1cccc(OC)c1 1875177138 WBWPTGWLLWFPPV-JLHYYAGUSA-N 430.500 5.826 30 10 IKEE COCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1OC 1875184728 NNFIXOMTAJGJMD-CSKARUKUSA-N 444.955 5.793 30 10 IKEE CCCCCCCCC[C@@H](N)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875653542 ZPLMTRNKNSGVCC-MUUNZHRXSA-N 445.647 7.985 30 10 IKEE CCCCCCCC(=O)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875653558 ZSUBNWPPCRBNPC-GDLZYMKVSA-N 446.587 6.808 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@H](C#N)[C@]12C[C@H](CCN1C(=O)OC(C)(C)C)C2 1893368460 MJOVLRBBFMDAOY-ZYLNGJIFSA-N 441.572 5.105 30 10 IKEE CC1(C)CN(C(=O)OC(C)(C)C)C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 1922771790 NTJDXNKUIBAWPO-XMMPIXPASA-N 447.551 5.497 30 10 IKEE COc1ccc(C=NN(Cc2ccccc2)Cc2ccccc2)cc1OCc1ccccc1 1923918772 RELAQOVTVIYKDI-UHFFFAOYSA-N 436.555 6.311 30 10 IKEE C[C@@H]1C[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)OC(C)(C)C 1944373803 BGVNWDKUUVGAGN-SEPYTNNBSA-N 449.617 5.413 30 10 IKEE CCCCCCCCC[C@@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NC 1947489316 KNIIVZLZJGWFBD-BJKOFHAPSA-N 434.665 6.215 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@@]1(C#N)CC(C)(C)[C@H]1OCc1ccccc1 1950396204 FADBUKFXXSQHCN-PXDATVDWSA-N 440.971 6.359 30 10 IKEE C#Cc1ccccc1[C@H]1[C@@H](C(=O)O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21 1952944449 UUIZYCKQCYZCNV-AHWVRZQESA-N 437.495 5.065 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(CC2CC2)C(=O)OC(C)(C)C)CC12CCCC2 2018643302 QTLGCTKVZKKCCW-XMMPIXPASA-N 433.593 5.240 30 10 IKEE CCCCCC#CCC(=O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2024424763 VNQFUAQOVOICBM-AREMUKBSSA-N 427.585 5.373 30 10 IKEE CC(C)(C)OC(=O)N(CC1CC1)[C@]1(C#N)CN(Cc2ccccc2)C2(CCCCCC2)C1 2038914303 SLZACACCOUTKRK-HHHXNRCGSA-N 437.628 5.895 30 10 IKEE N#CCCn1cc(C=C(CCC(=O)O)c2nc3ccccc3s2)c(-c2ccccc2)n1 2040459015 NORFXVIFKOOPFM-UHFFFAOYSA-N 428.517 5.479 30 10 IKEE Cc1ccc([C@@H](C(C)C)n2nc(C3CCC3)c(/C=N/O)c2I)cc1 2079005786 PTBJGYKCJQNFAF-PGNNWUFWSA-N 437.325 5.117 30 10 IKEE COc1ccc([C@@H](n2nc(C(C)C)c(C#N)c2I)C2(C)CC2)c(C)c1 2079858838 WIPWCHGCFNGCDN-GOSISDBHSA-N 449.336 5.189 30 10 IKEE CCc1nn([C@@H](c2ccc(C(F)(F)F)cc2F)C(C)C)c(Br)c1C=NO 2079878743 RZCAZEMBIHRHHR-OAHLLOKOSA-N 436.247 5.419 30 10 IKEE CC(C)c1cc(C(F)(F)F)ccc1-n1nc([C@H]2CCOC2)c(C#N)c1Br 2080341304 BGOILLQKEMIPIH-NSHDSACASA-N 428.252 5.153 30 10 IKEE Oc1cc(-c2ccc(C(F)(F)F)cc2F)nc2c(Br)c(C(F)(F)F)nn12 2080883025 HPTJDQWUCUABNC-UHFFFAOYSA-N 444.104 5.041 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](Nc2ccc(C#N)c(Br)c2F)CC1 2133523297 BIHIKESBYSXDRW-KGLIPLIRSA-N 426.330 5.098 30 10 IKEE CCCc1nc(C(=O)C=Cc2ccc(NC(=O)OC(C)(C)C)cc2)c(Br)[nH]1 2143949104 TUESWBPACXAJMQ-UHFFFAOYSA-N 434.334 5.368 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@]2(Nc3ccc(C#N)c(Br)c3F)CCC[C@H]12 2162336190 URGSBCVQNRUGFN-YWZLYKJASA-N 438.341 5.194 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCCN1c1ccc(Br)cc1C#N 2174813630 YMTAOKYFLCJYCV-MOPGFXCFSA-N 434.378 5.079 30 10 IKEE C=C[C@@H](C)C[C@H](NC)c1sc(Br)c(Br)c1Br 2212201145 UFRKSJHSZFPEQN-RQJHMYQMSA-N 432.019 5.508 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@@H]1CN(C(=O)OC(C)(C)C)CC12CC2)NCCC 2251336325 NXQZFOCKKNFQGQ-PKTZIBPZSA-N 428.617 5.165 30 10 IKEE CC1(C)OB(c2cscc2C(=O)Nc2cc(Cl)c(Cl)cc2Cl)OC1(C)C 2281799484 WIBBSAYKTUPQQU-UHFFFAOYSA-N 432.565 5.260 30 10 IKEE CCOc1cc(C=C2SC(=Nc3ccccc3)NC2=O)ccc1OC(=O)c1ccccc1 2297303442 RYESILVHBIXAHY-UHFFFAOYSA-N 444.512 5.196 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)C(C)(C)[C@@H]1CCCCN1C(=O)OC(C)(C)C 2300673574 JOGVGZHBXJEUQC-GOTSBHOMSA-N 430.633 5.553 30 10 IKEE O=C1NC(=Nc2ccccc2Cl)SC1=Cc1ccccc1OCc1ccccc1F 2313507577 VIEDMCPKHNFAQG-UHFFFAOYSA-N 438.911 5.950 30 10 IKEE O=C1NC(=Nc2ccc(F)cc2)SC1=Cc1cn(Cc2ccccc2)c2ccccc12 2313558386 ZNGGZFSGODQMSW-UHFFFAOYSA-N 427.504 5.720 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2)Oc2cc(OCc3c(Cl)cccc3Cl)ccc21 2314438574 XMXGPPVVMIKCDA-UHFFFAOYSA-N 431.702 6.842 30 10 IKEE CC(=O)Nc1cccc(C(=O)C=Cc2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)c1 2314522876 BPKVCENGKZXETP-UHFFFAOYSA-N 433.813 6.473 30 10 IKEE Sc1nnc(CC2CCCCC2)n1N=Cc1cccc(OCc2ccccc2Cl)c1 2321958535 HLJHBYGCWQQYPE-UHFFFAOYSA-N 441.000 5.804 30 10 IKEE CCc1ccc(C(=O)C=Cc2c(OCC(=O)Nc3cccc(C)c3)ccc3ccccc23)cc1 2322353732 YNSOPXCEDFRXNY-UHFFFAOYSA-N 449.550 6.624 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccccc2OCc2ccc(C(=O)OCC)o2)cc1 2322391299 NXUZIVZRXDEYSZ-UHFFFAOYSA-N 432.516 6.274 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCC(=O)NCCC)cc1 2322398346 BVBCAGDNXBVQAL-UHFFFAOYSA-N 443.971 5.492 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccccc2C)cc1 2322607072 ASKSZKJLPBCSIJ-UHFFFAOYSA-N 429.516 5.697 30 10 IKEE Cc1c(OC(=O)c2ccccc2Cl)ccc2c1OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2322725003 LXKCDWBMEZHNBP-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(=O)c4ccc(C(F)(F)F)cc4)ccc3C2=O)c1 2323351897 VHCHLPLVWGRCLZ-UHFFFAOYSA-N 440.373 5.549 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2OC)C3=O)cc1 2323371192 LOULPCJJINKSPE-UHFFFAOYSA-N 444.483 5.167 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc3C2=O)cc1 2323422860 BFLWWUUMGNDYIX-UHFFFAOYSA-N 442.467 5.329 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2C1=O 2323532816 VJCJOFFZKZJVKV-UHFFFAOYSA-N 426.877 5.311 30 10 IKEE Cc1c(OC(=O)c2ccc(OCC(C)C)cc2)ccc2c1OC(=Cc1ccccc1F)C2=O 2323635323 KLDGMABHEXUPGL-UHFFFAOYSA-N 446.474 6.004 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc(Cl)c2)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 2323676472 YPMXGWKWFQTRAM-UHFFFAOYSA-N 438.823 5.632 30 10 IKEE CCOc1cc(C=NNc2nc(-c3ccc(OC)c(OC)c3)cs2)ccc1OC(C)C 2323850683 BDXFHVYUTJRYQG-UHFFFAOYSA-N 441.553 5.459 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OCc1ccccc1C 2324154332 LYGKDBTURYPNAF-UHFFFAOYSA-N 434.963 7.256 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2sccc2C)C3=O)cc1 2324451388 GEMPNTOMKOWGCU-OAHLLOKOSA-N 435.501 5.087 30 10 IKEE Cc1c(OCc2cccc3ccccc23)ccc2c1OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2325279374 HRDILQYVZZWJON-UHFFFAOYSA-N 437.451 6.252 30 10 IKEE COc1ccccc1CCC(=O)Oc1cccc(C=CC(=O)c2ccc3ccccc3c2)c1 2325700501 GNXVLZPLWGRWIU-UHFFFAOYSA-N 436.507 6.283 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OC(=O)CCOc1ccccc1 2325735623 RBHSWRVBAKGPTL-UHFFFAOYSA-N 430.500 5.583 30 10 IKEE CCCOc1ccccc1C=Nn1c(CCC)nnc1SCc1ccc(Cl)cc1 2326358287 LWNWNYDFWFZAOQ-UHFFFAOYSA-N 428.989 5.847 30 10 IKEE Cc1cc(C)cc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccncc2)c1 2326422078 ZEZPQVVGPBYXMY-UHFFFAOYSA-N 427.577 5.250 30 10 IKEE CCOc1ccc(C=Nn2c(CC)nnc2SCc2cccc(Cl)c2)cc1Cl 2326467969 IIQFTLNJJJTCPR-UHFFFAOYSA-N 435.380 5.721 30 10 IKEE Cc1cc(OCc2nnc(SCc3ccccc3)n2N=Cc2ccncc2)ccc1Cl 2326524905 BTVBXMIJKKLMRU-UHFFFAOYSA-N 449.967 5.388 30 10 IKEE CCOc1ccc(C=Nn2c(CCc3cccc4ccccc34)nnc2SCC)cc1 2326589312 XAUCHVDRMVAACG-UHFFFAOYSA-N 430.577 5.609 30 10 IKEE C=CCSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1ccc(Cl)cc1 2327383572 DNCYOXLYFIREBI-UHFFFAOYSA-N 426.973 5.623 30 10 IKEE CCCSc1nnc(COc2ccccc2Cl)n1N=Cc1c[nH]c2ccccc12 2327679029 QPXSFSKJYMLRLE-UHFFFAOYSA-N 425.945 5.376 30 10 IKEE C=C(C)CSc1nnc(Cc2cccs2)n1N=Cc1ccc(OCCCC)cc1 2330377454 NTARGLOUFQRHDE-UHFFFAOYSA-N 426.611 5.660 30 10 IKEE CCOc1cc(C=Nn2c(SCc3ccccc3)nnc2-c2cccs2)ccc1O 2330582342 ZUWLSLFLAMTDML-UHFFFAOYSA-N 436.562 5.285 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(C)c3)cc2Cl)cc1 2330863002 CFNJKTRJIVVZGQ-UHFFFAOYSA-N 434.919 6.335 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1OC 2330950840 RGTSLRJJVFVKKS-UHFFFAOYSA-N 428.956 6.901 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@H]3CCCO3)n2N=Cc2c[nH]c3ccccc23)c1 2330965694 SFOBZHDWXLBPAQ-JOCHJYFZSA-N 431.565 5.402 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc3c(c2)OCO3)c(Cl)c1)c1cccc(Cl)c1 2331123123 GMLNZDRGVHPNHQ-UHFFFAOYSA-N 441.266 5.837 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)CCCOc1ccccc1 2331179283 JYQIINHDGMIYOQ-UHFFFAOYSA-N 430.500 5.746 30 10 IKEE COc1cccc(C=Nn2c(CC(C)C)nnc2SCc2c(F)cccc2Cl)c1 2331478563 LMPWVRNJKFBCKL-UHFFFAOYSA-N 432.952 5.452 30 10 IKEE COc1ccc(OC)c(C=Nn2c(SCc3cccc4ccccc34)nnc2C(C)C)c1 2331705783 MAJKQPNUOXERSU-UHFFFAOYSA-N 446.576 5.746 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)c(OC)cc2C)ccc1OC(=O)Cc1ccccc1 2331851877 FJGHIUXTQPWEMB-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE C[C@@H](c1cccs1)N(Cc1ccccc1)c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339574132 CZSIRNTXIWZIAY-FQEVSTJZSA-N 446.425 6.556 30 10 IKEE C=CCN(C[C@H](NCCC)c1cc(C)cc(Br)c1OC)C(=O)OC(C)(C)C 2365226624 WTMISOREKVCLOG-SFHVURJKSA-N 441.410 5.230 30 10 IKEE C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)S/C1=N\c1ccccc1C 1416210 ADNVSXDVQBDWNQ-PVCXERSVSA-N 448.375 5.448 30 10 IKEE CN(C)c1ccc(/C=N/c2cc(-c3ccc(Br)cc3)nn2-c2ccccc2)cc1 3094747 YMXFZKGESSXEAC-YZSQISJMSA-N 445.364 6.118 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)nn1[C@@H]2c1ccccc1F 17098975 FOIVVQHMRVKTRB-OAQYLSRUSA-N 434.540 5.368 30 10 IKEE Cc1nn(C(C)C)c(C)c1/C=N/Nc1nc(SCc2ccc(Cl)c(Cl)c2)n[nH]1 20904985 CAELRQOEWRIZOF-ODCIPOBUSA-N 438.388 5.244 30 10 IKEE COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(N(C)C)cc2)C3)cc1 21221436 VOTMQYGQQKGDHW-MMTVBGGISA-N 439.559 5.741 30 10 IKEE CCCOc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(Cl)c(Cl)c1)C2 21232674 CCHFRRHCXLEFME-DOTOQJQBSA-N 444.358 5.787 30 10 IKEE O=C1/C(=C\c2ccc(Br)cc2)Oc2cc(OC(=O)C3CCCCC3)ccc21 35387592 AUTSBAJUYOZATP-UDWIEESQSA-N 427.294 5.551 30 10 IKEE C=CCN(Cc1cccn1Cc1cccc(OC)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 35729269 KMDGLWMKABXJCI-UHFFFAOYSA-N 444.362 6.072 30 10 IKEE CCCCOc1ccc(/C=C2\S/C(=N/c3ccncc3Cl)N(CC)C2=O)cc1OC 39864297 CISHSSPDLJNLGU-HCNWTGQWSA-N 445.972 5.546 30 10 IKEE C/C(=C1/S/C(=N/c2cccc(C(=O)O)c2)N(c2ccccc2)C1=O)c1ccc(N)cc1 39866796 DVGVEIKERNBKFB-SYUAUQEVSA-N 429.501 5.166 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCCC)c2)[C@@H]1c1ccc(Cl)cc1 40101449 JUOCDZWBVMXQDV-NRFANRHFSA-N 427.928 5.507 30 10 IKEE C=C(C)COc1ccccc1NCC(=O)Nc1cccc(C(=O)N[C@@H](C)c2ccccc2)c1 66062927 CSQUTYFYKOULMN-FQEVSTJZSA-N 443.547 5.183 30 10 IKEE CCCCN(CCCC)C[C@H](O)Cn1cc(/C=C\C(=O)c2ccccc2)c2ccccc21 96498584 SDZIJGBMMXHWRM-VCLNNIJQSA-N 432.608 5.801 30 10 IKEE CCCCCCCCN(C1CCCCC1)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 100312925 ZPDJDKYHDNXXGU-UHFFFAOYSA-N 429.649 6.554 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)S/C1=N/c1nccs1 101128380 URXZEDMDAZAZFQ-RZPAUPBHSA-N 427.938 5.847 30 10 IKEE CCCCCCCCCCn1c(CCNC(=O)Cc2ccc(OC)cc2)nc2ccccc21 102143513 ORPMIKJGEKJUOW-UHFFFAOYSA-N 449.639 6.087 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc(OC)c2)cc1 169931388 QHAZLAUIGOZJQX-QHCPKHFHSA-N 447.918 5.694 30 10 IKEE CCCOc1ccc([C@H]2NC(=S)N(CC)C(C)=C2C(=O)c2ccccc2)cc1OCC 169931753 WZRGCTQJZZBJFH-HSZRJFAPSA-N 438.593 5.282 30 10 IKEE COc1cccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2cc(C)ccc2C)c1 169933482 BMTNKVDUZSKXLG-SANMLTNESA-N 441.527 5.414 30 10 IKEE CCCOc1ccc(/C=N\Nc2nc(-c3cccs3)c(C)s2)cc1Br 169941861 TVZXZCJMQKUVJZ-JAIQZWGSSA-N 436.400 6.177 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2ccc(O)cc2)c1 169960499 ARGBSUCUJBWWFN-XMMPIXPASA-N 427.500 5.409 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2cccc(C)c2)cc1 169970837 PYCWKWHMFWDJET-DEOSSOPVSA-N 427.500 5.354 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccs1 169982544 GZMSCOORVUGPQI-QFIPXVFZSA-N 445.496 5.281 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@@H]2c2ccccc2)c1 170046827 GLRDKLYKKXIOQD-DEOSSOPVSA-N 443.499 5.267 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2ccccc2)c1 170054759 KUHMCTNQAQXTKA-DEOSSOPVSA-N 427.500 5.091 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(C(C)C)cc2)ccc1F 170068141 HQQAGINSUPAJFF-DEOSSOPVSA-N 444.506 5.431 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2cccc(O)c2)cc1C 170082568 GPHSBQAIQUMNHE-QFIPXVFZSA-N 435.426 5.070 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(OC)cc2)cc1 170117060 KOEDNOWKHVGIAL-QHCPKHFHSA-N 435.520 5.005 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc(OC)c1 170121187 OGRRRJHYSVNOJV-XMMPIXPASA-N 429.516 5.617 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@H]1c1ccccc1OC 170125219 LVAKSEHYPWDHIG-HSZRJFAPSA-N 437.536 5.124 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(O)cc2)cc1 170130359 OHKZXOPQFSWFCT-JOCHJYFZSA-N 449.528 5.019 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2ccccc2)c1 170141822 DICCKHRRVNATCC-OSPHWJPCSA-N 425.484 5.101 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@H]1c1cccc(C)c1 170147359 KRPZSSXKLJCTFH-JOCHJYFZSA-N 441.955 5.816 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@@H]1c1cccc(OC(C)C)c1 170153238 RUMRSXGPJJMVMU-DEOSSOPVSA-N 449.547 5.177 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccs2)ccc1Cl 170155620 OLEBXPIPQMCLFG-LJQANCHMSA-N 443.883 5.332 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccs2)c1C 170158969 JGAYWARBJSLOLJ-IQMFZBJNSA-N 445.540 5.471 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccccc2)cc1 170228464 XPUQVIKQHRTBTC-RUZDIDTESA-N 430.463 5.494 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(Cl)cc2)c(C)c1 170235388 XFVRBFWJDOWQBV-NRFANRHFSA-N 437.879 5.029 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccc2F)c1 170248420 ZDLDFIDECLRBJM-HSZRJFAPSA-N 431.463 5.316 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccco2)cc1C(C)(C)C 170282214 ZSDOHJOFEBKJOJ-QFIPXVFZSA-N 449.478 5.508 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccco1 170288770 IBVSERFFELURCD-HSZRJFAPSA-N 443.886 6.178 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2c2ccc(C)c(C)c2)o1 170301857 GIFYHMAIIQTVRM-DEOSSOPVSA-N 443.499 5.313 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(C)o1 170306926 KTINLAMVSJACAH-QFIPXVFZSA-N 449.503 5.266 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2sccc2C)c1 170314244 KJIQUHDQEKCBSG-NRFANRHFSA-N 429.497 5.894 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2sccc2C)cc1 170315242 YGRFHCDJGCDUIA-JOCHJYFZSA-N 447.556 5.935 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)C(C)C)[C@@H]1c1ccc(C(C)(C)C)cc1 170468782 GFXGKXLRTVMEKO-NRFANRHFSA-N 425.956 6.071 30 10 IKEE CSc1nc(Nc2ccc(Br)cn2)c(C#N)c(-c2cccc(Cl)c2)n1 242502685 BURGHPXWXNGDAY-UHFFFAOYSA-N 432.734 5.292 30 10 IKEE COc1cc(/C=C2\SC(=Nc3c(C)cccc3C)N(c3ccccc3)C2=O)ccc1O 252634463 WOBPYWLILPGBNJ-JXJWTFEASA-N 430.529 5.826 30 10 IKEE O=C(Nc1cccc2ccccc12)c1c(N=Cc2ccc(F)cc2)sc2c1CCCC2 254555784 KCAQPYHZYTULAT-UHFFFAOYSA-N 428.532 6.922 30 10 IKEE CON=C(C)[C@@H]1C(=NOC)C[C@@H]2[C@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 254627414 KLCZPBNZZJGNRW-CGLOIAJVSA-N 432.605 5.212 30 10 IKEE Cc1c(C=Nc2c3ccccc3nc3ccccc23)c(O)n2c(nc3ccccc32)c1C#N 254814045 VBTFFKMKBMVGSZ-UHFFFAOYSA-N 427.467 5.825 30 10 IKEE O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC(=S)N1N=Cc1ccccc1 254880429 ZTITUMAIGNCSEU-OPFQMUROSA-N 435.486 5.090 30 10 IKEE CCc1ccc(OCCCOc2c(C=NNc3ccc([N+](=O)[O-])cc3)cccc2OC)cc1 254902538 BAIKJICJVMNHQE-UHFFFAOYSA-N 449.507 5.460 30 10 IKEE C=C(C)[C@@H](C)CC[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@H](C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 257398170 CPAQRHKQDWNSMI-FPYURQPHSA-N 426.729 8.479 30 10 IKEE endogenous,in-man N#Cc1cccc(N2C(=O)C(O)=C(c3cccc4ccccc34)[C@H]2c2c[nH]c3ccccc23)c1 526521498 SCCLYKHJVPUYHI-HHHXNRCGSA-N 441.490 6.250 30 10 IKEE CC(C)COc1cccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2C#N)c1 526606021 BQOSFELJHZMGQK-RUZDIDTESA-N 442.490 5.789 30 10 IKEE CCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1c(C)n(C)c2ccccc12 526806455 XCDDVHGLBJIYSC-YUMHPJSZSA-N 445.636 6.113 30 10 IKEE CCCCCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccc(Cl)cc2)cc1 526807148 KKIYRACRLSUIOG-XYGWBWBKSA-N 443.016 6.237 30 10 IKEE Oc1ccccc1/C=N\n1c(Cc2ccccc2)nnc1SCc1cccc(Cl)c1 526813171 XRLZWPHAMLISHN-MYYYXRDXSA-N 434.952 5.402 30 10 IKEE CCOc1cc(/C=N\n2c(C)nnc2SCc2cc(C)ccc2C)cc(Cl)c1O 526818542 OCBJQDZUWQRKKG-KSEXSDGBSA-N 430.961 5.136 30 10 IKEE CCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1ccc(N(CC)CC)cc1 526823611 YYAKRMOYUDFARI-ONUIUJJFSA-N 432.597 5.123 30 10 IKEE C#CCCCCC[C@@H](NC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 686700566 CPKSNVZYQREDLY-WOJBJXKFSA-N 437.422 5.057 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@](C)(C#N)Cc1ccc(Br)cc1 710783225 ATXOLBDRHPZDBV-NRFANRHFSA-N 449.776 6.369 30 10 IKEE Oc1ccc(Cl)cc1C=Nc1ccc(OCC(F)(F)C(F)F)c(C(F)(F)F)c1 1084175876 OTFDAGVPTOBMBV-UHFFFAOYSA-N 429.719 6.094 30 10 IKEE COc1ccc(-c2coc3cc(OC)c4c(c3c2=O)OC2=C(C4)C(=O)CC(C)(C)C2)cc1 1615248276 NXZLLBVYOWRZFE-UHFFFAOYSA-N 432.472 5.055 30 10 IKEE O=C1/C(=C\c2cccc([N+](=O)[O-])c2)SC(=Nc2cccnc2Cl)N1c1ccccc1 1772731844 BBKDYTMYTJAMJG-DHTRNYPVSA-N 436.880 5.452 30 10 IKEE COc1ccccc1/C=C1/SC(=Nc2cccc(C(=O)O)c2)N(c2ccccc2)C1=O 1772738397 VKGPAIFIZLMBDP-QGJBXVFPSA-N 430.485 5.202 30 10 IKEE CC(=C\c1ccccc1)/C=C1/SC(=NN=Cc2ccccc2)N(Cc2ccco2)C1=O 1772758425 VCKJKVIAIPWHTM-LAAGTGQTSA-N 427.529 5.733 30 10 IKEE CCCCCCCCn1cc(OC(c2ccccc2)c2ccccc2)c(=O)cc1C(=O)O 1857891123 NLFFBLDNUPFYOP-UHFFFAOYSA-N 433.548 6.075 30 10 IKEE N#Cc1cccc(C(=O)NCc2ccc(OC(=O)Nc3cccc(Cl)c3Cl)cc2)c1 1858913052 OAVJFBAHTJSTFJ-UHFFFAOYSA-N 440.286 5.406 30 10 IKEE O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1859711027 GTUXJDOTMLFIMH-UHFFFAOYSA-N 446.322 6.090 30 10 IKEE N#Cc1cnn(-c2ccc3ccccc3n2)c1NC(=O)CCCSc1ccc(Cl)cc1 1859760994 WZGGBXJTUOGMAF-UHFFFAOYSA-N 447.951 5.457 30 10 IKEE O=C(/C=C/c1ccc2c(c1)OCCO2)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 1860730626 DYIIWJXUNMWYGZ-RMKNXTFCSA-N 435.863 5.125 30 10 IKEE CC(C)COc1ccc(CC(=O)Nc2ccc(C(=O)Nc3ccccc3C#N)cc2)cc1 1860879722 JTUYUJGEUYSVSA-UHFFFAOYSA-N 427.504 5.027 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)/C=C/c1ccc(C(C)C)cc1 1861550568 OMHMWDWNDAGMID-FHNXWNBASA-N 442.688 6.755 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)Cc1ccc(OC)cc1)c1ccccc1 1861847549 JTFBICYNKGWFLM-AREMUKBSSA-N 438.612 5.352 30 10 IKEE CCCCCCCCCCNC(=O)c1cc(CCCC)n(Cc2cccc(Cl)c2)n1 1862323312 WPZITOWSFQZZLL-UHFFFAOYSA-N 432.052 6.798 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(OC)c(F)c2)n(Cc2ccccc2Cl)n1 1862369016 VADAYHGXXKSOTR-UHFFFAOYSA-N 439.918 5.214 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CC)c1 1862386047 DPITYIVXULMYFF-LJQANCHMSA-N 434.319 5.380 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862393087 NJDOXSZPRDCTFR-QFIPXVFZSA-N 436.508 5.172 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@@H]2c2cccc(C)c2)cc1 1862411450 IEGOPLVAIYWZJO-DEOSSOPVSA-N 447.481 5.403 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862442771 UXTBLBCNMRZVMA-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1F 1862443973 VCDMHFMUHZMDOI-GCJKJVERSA-N 443.946 6.416 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccccc1Cl 1862470970 ZXJBMAWMEPGCTF-KRWDZBQOSA-N 434.717 5.091 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccc(F)cc2)c1 1862490042 MMPNDEZYWNNPQV-MHECFPHRSA-N 429.491 5.782 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2cccc(Br)c2)c1 1862496987 YWOAPIAIKLKRDO-LJQANCHMSA-N 428.326 5.053 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 1862520301 FARHCVMZWXMBQU-HXUWFJFHSA-N 447.453 5.481 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 1862536741 GISQVOIKICDFMS-XMMPIXPASA-N 433.592 6.171 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1cccc2ccccc12 1862560189 BMQAFYJDWRETSE-XMMPIXPASA-N 428.532 5.581 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(N(C)C)cc1 1862583208 VQNYUTIRBNODCG-RBZFPXEDSA-N 447.362 5.436 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1cccc(Cl)c1 1862616633 CTPXQMLHFBXMRQ-BTYIYWSLSA-N 425.956 6.014 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2cccc(C)c2)c1 1862649365 WPCCIRZBKRMRRG-MHZLTWQESA-N 447.534 6.235 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CC(C)C)cc1 1862680081 UCXJCYLVGGWCKH-QFIPXVFZSA-N 425.500 5.239 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc2ccccc12 1862692976 VXSQZXBPSWHBBQ-RUZDIDTESA-N 443.543 6.007 30 10 IKEE N#Cc1ccc(N2C(=O)C(Nc3cccc(Cl)c3)=C(c3ccc(Cl)cc3)C2=O)cc1 1862797575 NMCDOLBOBNJECB-UHFFFAOYSA-N 434.282 5.262 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(Nc3ccccc3C#N)=C(c3c[nH]c4ccccc34)C2=O)c1 1863123126 WNKGFFYPRUGZBM-UHFFFAOYSA-N 432.483 5.053 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2OC)C(=O)N(CCc2cccs2)C1=O 1863766462 HDEDBKCEEDQGQY-UHFFFAOYSA-N 440.609 5.029 30 10 IKEE COc1ccc(C2(CNC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)cc1F 1868041287 LVGNEWIIYIPGGE-UHFFFAOYSA-N 435.339 5.334 30 10 IKEE N#C[C@H](c1cccs1)N1CCC(C(=O)Nc2cccc(OCc3ccccc3)c2)CC1 1868171651 OXDGIYKEVRPECZ-HSZRJFAPSA-N 431.561 5.242 30 10 IKEE Cc1ccc(-c2nc(Nc3cccc(C#N)c3)cc(N3CC(C)(C)c4ccccc43)n2)cc1 1868312539 JVGUAUODCSPUBQ-UHFFFAOYSA-N 431.543 6.497 30 10 IKEE C[C@H]1CN(c2cc(Nc3ccc(C#N)cc3)nc(-c3ccccc3Cl)n2)C(C)(C)CO1 1868422568 JHMXZUQYBQOEIM-INIZCTEOSA-N 433.943 5.416 30 10 IKEE C=CCN(CC=C)c1nc(=NC(=O)c2ccc(-c3ccccc3)cc2)n(-c2ccc(C)cc2)[nH]1 1870001310 YKUOSPIVVOREGU-UHFFFAOYSA-N 449.558 5.095 30 10 IKEE N#Cc1nnn(-c2ccc(Cc3ccccc3)cc2)c1NC(=O)/C=C/c1ccccc1Cl 1870140660 CMVGDTNNYNAGMR-NTCAYCPXSA-N 439.906 5.035 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)Nc1c(C#N)nnn1-c1cccc(C(C)(C)C)c1 1870154487 UXFLSGXBGYLHEH-UHFFFAOYSA-N 444.322 5.004 30 10 IKEE C=CCn1cc(OCc2cccc(F)c2)c(=O)cc1CNc1cc(C(C)C)cc(C(C)C)c1 1871062889 QTYMOKDKRSWSMM-UHFFFAOYSA-N 448.582 6.611 30 10 IKEE C=CCn1cc(OCc2cccc(C)c2)c(=O)cc1CNc1cccc(Br)c1 1871069984 ISZGXBNWDPYVPH-UHFFFAOYSA-N 439.353 5.296 30 10 IKEE COc1cccc(/C=C2\Oc3c(cc4c(c3C)OCN(CCc3ccc(C)cc3)C4)C2=O)c1 1871359693 WBPFQGWLGNYIAL-QFEZKATASA-N 441.527 5.323 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc(C(C)C)cc4)cc(C)c3C2=O)cc1 1871380160 ZTLRETRWMDOONU-BVRFCPFQSA-N 438.523 6.662 30 10 IKEE Cc1c(OC(=O)c2cc(Cl)ccc2Cl)ccc2c1O/C(=C\c1ccccn1)C2=O 1871381419 SYEYBCCYIJLJKA-ODLFYWEKSA-N 426.255 5.532 30 10 IKEE COC(=O)c1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4cccs4)cc(C)c3C2=O)cc1 1871381518 YQHULFIUJPLTFL-SOFGKXIESA-N 446.480 5.078 30 10 IKEE COc1ccccc1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1sccc1C)C2=O 1871410205 BHTFOMIECMDLPQ-JHDSZEHQSA-N 449.528 5.396 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871411530 IWELFGUUQDXMBZ-ZGWJWYQGSA-N 447.462 5.165 30 10 IKEE Cc1c(O[C@H](C)C(=O)Nc2ccc(C#N)cc2)ccc2c1O/C(=C\c1ccc(F)cc1)C2=O 1871436442 ZBDGDCBYYHFRBU-GEWRUKCFSA-N 442.446 5.028 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4C)cc(C)c3C2=O)cc1 1871453611 IHPHYWJHOKAUCT-OYKKKHCWSA-N 427.500 5.500 30 10 IKEE Cc1cccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2Cl)C3=O)c1C 1871458530 AQKFZKCQJOCNJZ-FMCGGJTJSA-N 447.918 5.899 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc(C)c(C)c1 1871973085 OWEBHIRHSCTYGI-QHCPKHFHSA-N 446.588 5.207 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccccc1C(C)C)c1ccccc1)S(=O)(=O)c1ccccc1 1872455667 FEJCWANSGKUGET-VWLOTQADSA-N 448.588 5.367 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(OC)cc3OC)n2)cc1 1872768217 MSJCGFSAEWHVOF-MEJUDOHFSA-N 434.517 5.116 30 10 IKEE Cc1ccc(C)c(-c2csc([C@H](C#N)C(=O)c3c(Cl)ccc(Cl)c3Cl)n2)c1 1872772608 QPQUARJAVLQLAV-CYBMUJFWSA-N 435.763 6.877 30 10 IKEE CC(C)(C)c1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3cccc4ccccc34)cs2)cc1 1872775781 ZPKYPGOTXJWGHW-KROBSHITSA-N 436.580 7.150 30 10 IKEE CCCCCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc1 1872776627 TXIHPXPAJOMIEZ-DEOSSOPVSA-N 446.616 7.383 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@H](C#N)C(=O)Cc3cc(Cl)ccc3Cl)n2)c1C 1872778671 QFJMVAYOYRZEKN-GOSISDBHSA-N 443.399 6.770 30 10 IKEE COc1cc(OC)c(-c2csc([C@@H](C#N)C(=O)CCOc3ccccc3)n2)cc1Cl 1872782784 NCHHFMFHELEAOU-INIZCTEOSA-N 442.924 5.126 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)CCOc3ccccc3)n2)c(OCC)c1 1872783485 ARXFRXOANSWTII-HXUWFJFHSA-N 436.533 5.253 30 10 IKEE CCCCCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc1 1872786059 COHPRZGVIIEQDU-QHCPKHFHSA-N 446.616 7.185 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)/C=C/c2cccc([N+](=O)[O-])c2)n1 1872786143 ZJSNXYJIFQGYDP-ZUURVNMSSA-N 445.544 6.214 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H]2CCCC[C@H]2C)=C(c2ccccc2Cl)C1=O 1873031741 MHIAUDGLHQTQRW-NQIIRXRSSA-N 431.020 5.949 30 10 IKEE Cc1sc(C2=C(N)N(c3ccc(Cl)c(Cl)c3)CC2=O)nc1-c1ccc(F)cc1 1873529852 NUBWAFQTNHBLQS-UHFFFAOYSA-N 434.323 5.281 30 10 IKEE C=CCn1c(C(=O)Nc2ccccc2CC)cc2c(NCc3cccc(C)c3)ncnc21 1873617968 RNGWSBGVMMBNOE-UHFFFAOYSA-N 425.536 5.353 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1CC(=O)N([C@@H](C)C23CC4CC(CC(C4)C2)C3)C1 1873937053 XRESFGQFHPLRCN-QLMJLIRMSA-N 430.677 5.697 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3cc(C)ccc3OC(C)C)c(=O)oc2c1C 1873958577 NOJUVUUDADZCGW-UHFFFAOYSA-N 449.547 5.642 30 10 IKEE CCSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1cc(C)ccc1O 1874205917 AHIIFVMKBDWUSN-LSHDLFTRSA-N 437.352 5.172 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccco1 1874274946 PINMKIOYRKDRKX-MFKUBSTISA-N 436.968 5.793 30 10 IKEE Fc1ccccc1CSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc[nH]1 1874278894 IWSKIADMXIRXEA-VULFUBBASA-N 439.947 5.358 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccc(Cl)cc3)n2/N=C/c2ccco2)c1 1874281964 JEWTWIBXISVBKI-MFKUBSTISA-N 436.968 5.793 30 10 IKEE CCCCC1CCC(c2nnc(SCCc3ccccc3)n2/N=C/c2ccncc2)CC1 1874287576 MEASBRDLPPAGEK-VFCFBJKWSA-N 447.652 6.354 30 10 IKEE CCSc1nnc(CCc2ccccc2OC)n1/N=C/c1ccc(Cl)cc1Cl 1874313050 AAAPTWRVWZAFGK-YDZHTSKRSA-N 435.380 5.373 30 10 IKEE OCCCSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(Cl)c(Cl)c1 1874368368 XBJQECWSMXLGLS-SSDVNMTOSA-N 441.771 5.262 30 10 IKEE Cc1ccsc1/C=N/n1c(Cc2ccc(F)cc2)nnc1SCCc1ccccc1 1874380933 SKDHBNSIXCODHL-PCLIKHOPSA-N 436.581 5.595 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(C)c3)n2/N=C/c2ccc(O)cc2)cc1 1874388640 WKUSETROSSJSLN-WGOQTCKBSA-N 428.561 5.366 30 10 IKEE CCSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874396693 LPERBVHTWVMJSC-QZCBGFPPSA-N 442.588 6.003 30 10 IKEE C=CCSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1cc(Br)ccc1F 1874400272 MQWDGDIXOVWWRF-JMKVTYIUSA-N 445.361 5.492 30 10 IKEE Cc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2cccc(F)c2)cc1 1874401942 AGOSIMPJIOJTSH-WPWMEQJKSA-N 430.552 5.685 30 10 IKEE CCCSc1nnc(Cc2ccccc2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874418165 BUMJBSRVLKNIHP-ZXVVBBHZSA-N 442.588 5.832 30 10 IKEE CC(C)COC(=O)CSc1nnc(-c2cccs2)n1/N=C/c1ccc(C(C)C)cc1 1874424632 VTBXOUNZJWGLJA-FSJBWODESA-N 442.610 5.304 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(CC(C)(C)C)nnc2SCc2c(F)cccc2Cl)c1 1874441666 GAYSZIKMPKKFRV-BRJLIKDPSA-N 446.979 5.848 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1cc(Cl)ccc1O 1874478596 IHQHBEPUHCFKOI-ZMOGYAJESA-N 428.989 5.771 30 10 IKEE CCc1nnc(SCC(=O)Nc2cccc(C)c2)n1/N=C/c1ccc(Cl)cc1Cl 1874524580 VQECGLDPKPIVME-FOKLQQMPSA-N 448.379 5.069 30 10 IKEE CC(C)Cc1nnc(S)n1/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 1874559240 GCFNVZKOPCFVDB-FOKLQQMPSA-N 435.380 5.533 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/n2c(S)nnc2C2CCC2)cc1Cl 1874559522 WULLSFANJCJIEZ-LFVJCYFKSA-N 435.037 6.499 30 10 IKEE O=C(/C=C/c1c(OCCc2ccccc2)ccc2ccccc12)c1ccc2ccccc2c1 1874571273 DZUCSEAXXRXPNA-ISLYRVAYSA-N 428.531 7.511 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccccc2OCC(=O)Nc2cccc(C)c2C)c(C)c1 1874590012 OCJAFOQPIDNDNC-BUHFOSPRSA-N 427.544 6.142 30 10 IKEE CCN(CC)C(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1cc(Cl)ccc1Cl 1874591516 OZKUJFFWKUTPQO-WEVVVXLNSA-N 440.754 5.790 30 10 IKEE CCCN(CCC)C(=O)COc1cccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)c1 1874599762 CDDAVWKTNVCRAS-FYWRMAATSA-N 435.608 6.216 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1Cl)Nc1ccccc1 1874601812 FCLMIOJEDDEPJN-PKNBQFBNSA-N 436.851 5.162 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc(Cl)c2)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 1874611037 YPMXGWKWFQTRAM-ONNFQVAWSA-N 438.823 5.632 30 10 IKEE O=C(/C=C/c1ccc(OCc2c(F)cccc2Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 1874613321 OBWGHDDSANYOFK-ONNFQVAWSA-N 446.261 6.516 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)c1 1874618414 ZMXKPJJUBRHIDR-PKNBQFBNSA-N 437.898 6.010 30 10 IKEE C=CCOc1c(Br)cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1OCC 1874622650 NSDJGFZWDQZOKC-MDWZMJQESA-N 443.381 6.606 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc(Cl)c1OCCCO 1874626882 BHGOEPRYYNGXLD-MDWZMJQESA-N 438.907 5.798 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccc(C)c(C)c3)c2)cc1C 1874696157 LFDVUBSQTMJUBP-DHZHZOJOSA-N 444.527 5.673 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1OC(=O)c1ccccc1 1874696866 GLKFGJBZAZPJSH-NTUHNPAUSA-N 437.289 5.573 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OC(=O)COc1ccc(Cl)cc1 1874710349 XUZQBQUKLWZLQZ-SWGQDTFXSA-N 440.854 5.368 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc1OC(=O)C(F)(F)F 1874714566 CKHUYWOCEUQKTQ-GQCTYLIASA-N 428.790 5.029 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(OC)cc2)CSc2nnc(C(C)C)n21 1874854637 VJYQCSSMMOUPJV-FQEVSTJZSA-N 430.618 5.472 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)Cc3cccs3)c(OC)c2)c1 1875101011 GTGXZBYENJSJHD-CMDGGOBGSA-N 442.920 5.463 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cc(C)ccc3C)c(Cl)c2)c1 1875102264 DIELBLYNQNZDJG-PKNBQFBNSA-N 434.919 6.010 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OC(=O)c1ccc(N(C)C)cc1 1875127168 RCDSHYKPHDZDCF-XNTDXEJSSA-N 449.934 5.920 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)CCc1ccc(CC)cc1 1875137048 SUKSPMKWUBQABI-SFQUDFHCSA-N 442.555 6.390 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)c3sccc3C)c(OC)c2)c1 1875146760 CRPMLFIRJNBTAT-VMPITWQZSA-N 438.501 5.198 30 10 IKEE Cn1c(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)cc2)cc2ccccc21 1875147166 REYZJVAYYXPABR-XYOKQWHBSA-N 439.467 5.065 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3ccco3)c(OC)c2)cc1F 1875152028 FIWOLEJEVCDVRJ-FNORWQNLSA-N 430.815 5.205 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1 1875165314 HTAFAUCJYWZLRW-DEDYPNTBSA-N 434.491 6.903 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1C 1875187090 RIUGPEBCSNZTPT-XYOKQWHBSA-N 446.499 5.445 30 10 IKEE C=C(COCC)[C@@H](NC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875689109 BPVYAHPXXWCYGG-IZLXSDGUSA-N 447.575 5.059 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cccc(C(F)(F)F)c3F)ccc21 1891237703 UGFQROIWFXIHSN-UHFFFAOYSA-N 436.405 5.034 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCC2(CCCCC2)C1 1915886739 VIFDSAZVYWDXSF-JOCHJYFZSA-N 433.390 6.587 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2)SC(=Nc2ccccc2)N1[C@H]1CCCc2ccccc21 2040469916 TWKSTXVZGLYRBY-QHCPKHFHSA-N 444.987 7.022 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)ccc1OCC(=O)Nc1ccccc1 2053611725 PUCWMQPOZPMPRH-UHFFFAOYSA-N 431.488 5.008 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@]1(C)CCCN1C(=O)OC(C)(C)C 2076987155 SNQBQPDKIIKCRI-NTKDMRAZSA-N 445.560 5.118 30 10 IKEE CC1(c2nn([C@H](c3ccc(C4CC4)cc3)C3(C)CC3)c(Br)c2/C=N/O)CC1 2079062108 JZUZLMVLXJSFBS-NZYROCMPSA-N 428.374 5.772 30 10 IKEE CCc1ccc([C@H](C2CC2)n2nc(C3CCC3)c(/C=N/O)c2I)cc1 2079091252 ZUQOMIZNJCEOMR-VVJWVBNBSA-N 449.336 5.125 30 10 IKEE Cc1cc(O)c([C@@H](C(C)C)n2nc(C3CCC3)c(C#N)c2I)cc1C 2079985452 KUEUUTAZSQMQNN-LJQANCHMSA-N 449.336 5.195 30 10 IKEE Cc1nn([C@H](c2cc(F)ccc2C(F)(F)F)C2(C)CC2)c(Br)c1C=NO 2080106539 ZQNXRNLOJMMQNJ-CQSZACIVSA-N 434.231 5.310 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCCCCC1(F)F 2096454294 XROCXURPCGDPKL-GOSISDBHSA-N 429.305 6.052 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C=CC(=O)c2ccc(Br)c(Cl)c2)cc1 2103314606 PRNDFUKXDJDNOJ-UHFFFAOYSA-N 436.733 6.346 30 10 IKEE CC1(C)CCC[C@@](C#N)(c2ncc(I)cc2Br)CC1 2133374456 WVNXJEWVUOSPSC-OAHLLOKOSA-N 433.131 5.200 30 10 IKEE COc1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)ccc1C 2149627699 LGWXQZDJKNMIPD-GOSISDBHSA-N 431.330 5.773 30 10 IKEE CCCC1(CNc2ccc(Br)cc2C#N)CCN(C(=O)OC(C)(C)C)CC1 2162414442 NGAWDYRPMYOXIE-UHFFFAOYSA-N 436.394 5.550 30 10 IKEE CC(C)(C)OC(=O)NC1CCC2(CC1)CC(C#N)(Nc1ccccc1Br)C2 2176713530 AJHRJLBIRNHQNS-UHFFFAOYSA-N 434.378 5.371 30 10 IKEE C#CC[C@H](C[C@H](NCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br)C1CC1 2196853720 JUSQWQMXHJHZGV-UZLBHIALSA-N 435.406 5.886 30 10 IKEE CCCCCCC[C@H](O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229102398 WTVOVHCXSAUMCF-OALUTQOASA-N 428.411 5.606 30 10 IKEE CCCCCCCCC(=O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237411959 ITZWWIJFHMYDOL-LJQANCHMSA-N 440.422 6.205 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)CC1 2242079913 JRLFEMSIWRSHER-VWLOTQADSA-N 443.588 5.497 30 10 IKEE CC(C)(C)N(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2247780852 GCKKYQFZXLORBR-UHFFFAOYSA-N 427.781 5.080 30 10 IKEE C=CCCCCCCCC[C@@H](N)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2256735350 KTSMZCGHNICLPI-XMMPIXPASA-N 444.660 6.074 30 10 IKEE Cc1ccc(-c2nn(-c3ccc(C)c(C)c3)cc2C=NNC(=S)Nc2ccccc2)cc1 2296403535 UNTTXCBZCAJLHG-UHFFFAOYSA-N 439.588 5.785 30 10 IKEE Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2296597388 WIEOBCKVSNPFEZ-UHFFFAOYSA-N 426.877 5.032 30 10 IKEE COc1cc(C=C2SC(=Nc3cccc(C)c3)NC2=O)ccc1OCc1cccc(C)c1 2296738326 FQCSLIXWCLOGMS-UHFFFAOYSA-N 444.556 5.783 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2Cl)SC(=Nc2ccccc2)N1c1ccccc1 2297317822 QZFGQBJWAPWRSN-UHFFFAOYSA-N 425.340 6.802 30 10 IKEE CCCN1C(=O)C(=Cc2ccc(OCC)c(OC)c2)SC1=Nc1ccc(OCC)cc1 2297462004 SKXGJPMPICTUNM-UHFFFAOYSA-N 440.565 5.507 30 10 IKEE CC(C)(C)OC(=O)NC1([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)CCCC1 2302428983 PXOXRKIRXUWLQG-SFHVURJKSA-N 449.979 5.811 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)cc1 2302571865 OOMRIHUFKQKUHJ-VAMGGRTRSA-N 429.561 5.322 30 10 IKEE CCCCCCCOc1ccc(NC(=S)NC(=O)C=Cc2cccc([N+](=O)[O-])c2)cc1 2313860742 MJVODIGCXUXPTG-UHFFFAOYSA-N 441.553 5.470 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OC(=O)c3ccc(C(C)(C)C)cc3)ccc2C1=O 2314438449 SUDZWMJMOPRIQD-UHFFFAOYSA-N 442.511 6.218 30 10 IKEE CC(C)(C#N)CCCCSc1cc(I)ccc1Br 2316473352 VZPQNUXOIBAJOU-UHFFFAOYSA-N 438.172 5.866 30 10 IKEE Clc1cccc(Cl)c1CSc1nncn1N=Cc1cccc(Br)c1 2318571593 OAAKWKMQBJNREK-UHFFFAOYSA-N 442.169 5.522 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccc(F)cc2)cc1 2318582090 QVRMERLCZCTDOK-UHFFFAOYSA-N 447.495 5.091 30 10 IKEE N#Cc1nc(-c2ccccc2)oc1NN=Cc1cccc(OCc2ccccc2Cl)c1 2320833967 LPJGOXDMNXTCMU-UHFFFAOYSA-N 428.879 5.892 30 10 IKEE Cc1c(OCc2cccc(F)c2)ccc2c1OC(=Cc1cccc(Br)c1)C2=O 2321888388 RQAHFCRJTLLPAL-UHFFFAOYSA-N 439.280 6.092 30 10 IKEE COCCCN1COc2ccc3c(c2C1)OC(=Cc1ccc(-c2ccccc2)cc1)C3=O 2322016410 BBKAFXJCNSZYNW-UHFFFAOYSA-N 427.500 5.158 30 10 IKEE COc1ccc(C=C2Oc3c(ccc4c3CN(CCc3ccc(C)cc3)CO4)C2=O)cc1 2322218135 WUEZYOHXSLTRLQ-UHFFFAOYSA-N 427.500 5.014 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc3c2CN(C24CC5CC(CC(C5)C2)C4)CO3)C1=O 2322238631 ZUOCMEUDNCURRB-UHFFFAOYSA-N 433.573 5.793 30 10 IKEE Cc1ccc(C=C2Oc3c(cc4c(c3C)OCN(CCc3ccc(Cl)cc3)C4)C2=O)cc1 2322286572 LTLMVKSRHQVQKG-UHFFFAOYSA-N 445.946 5.968 30 10 IKEE COc1ccc(OC)c(C=C2Oc3c(cc4c(c3C)OCN(C3CCCCC3)C4)C2=O)c1 2322328550 RBVYGZWOEWKPGZ-UHFFFAOYSA-N 435.520 5.113 30 10 IKEE C=C(C)COc1c(C=CC(=O)c2ccc(OC)c(OC)c2)cc(Br)cc1OC 2322350380 WWJYHDJMAUDFRF-UHFFFAOYSA-N 447.325 5.326 30 10 IKEE Cc1ccccc1COc1ccc(Br)cc1C=CC(=O)c1ccc(F)cc1F 2322492685 NMCHOCWEJYFYED-UHFFFAOYSA-N 443.287 6.511 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccccc1C=CC(=O)c1cccc2ccccc12 2322714835 WTGHZJYEYMRZBV-UHFFFAOYSA-N 435.523 6.370 30 10 IKEE Cc1ccc(C)c(COc2ccc(Br)cc2C=CC(=O)c2ccc(C)c(C)c2)c1 2322884728 DDGUJMORBJKJKP-UHFFFAOYSA-N 449.388 7.158 30 10 IKEE Cc1ccc(C(=O)C=Cc2c(OCc3cccc4ccccc34)ccc3ccccc23)cc1C 2322886650 UMPSMZKUOBKLNQ-UHFFFAOYSA-N 442.558 8.085 30 10 IKEE O=C(C=Cc1cccc(OCc2c(F)cccc2Cl)c1)c1ccc(-c2ccccc2)cc1 2323044205 MBLOZWOPPOBELO-UHFFFAOYSA-N 442.917 7.621 30 10 IKEE COc1cc(C(=O)C=Cc2cccc(OCc3cccc(Cl)c3)c2)c(OC)cc1Cl 2323272259 NJRAWSPLAPFCJR-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OC(=O)C=Cc4ccc(OC)cc4)c3C)C2=O)cc1 2323423937 AGOJPQSVYCMKPJ-UHFFFAOYSA-N 440.495 5.801 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)C=Cc4cccc([N+](=O)[O-])c4)cc(C)c3C2=O)c1 2323436977 AEGVQPUTSYISOD-UHFFFAOYSA-N 441.439 5.447 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O)c1cc(Cl)ccc1Cl 2323581313 SWAIEUWIGSWNPD-UHFFFAOYSA-N 429.230 5.968 30 10 IKEE CCOc1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccco2)C3=O)cc1OC 2323693670 OBVOUMSKGWXRIW-UHFFFAOYSA-N 446.455 5.230 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1nccs1 2323792106 NCJVUERMGVYDRC-UHFFFAOYSA-N 442.924 5.109 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OCC(=O)Nc1c(C)cccc1C 2323808742 SIFFALPCNIJCQC-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2Cl)c(Br)c1)c1ccccc1 2323809309 XYKLWSKWCBFADV-UHFFFAOYSA-N 427.725 6.578 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc([N+](=O)[O-])c1OCc1ccc(F)cc1 2323865243 YWTNMIFFPVXFBK-UHFFFAOYSA-N 449.478 6.225 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OCCc3ccccc3)c(OC)c2)cc1F 2324102957 OLGHODIXWFKIJQ-UHFFFAOYSA-N 440.898 6.014 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OCCCCCCC)cc2)cc(OC)c1OCC 2324210387 XMASSPHZPSCFEW-UHFFFAOYSA-N 436.592 7.068 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2sccc2C)C3=O)cc1 2324478051 LXIIISXQBBUKTK-MRXNPFEDSA-N 433.529 5.641 30 10 IKEE Cc1ccc(C)c(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(Cl)c(Cl)c3)n2)c1 2324561065 KQWJLSCYWIPWIL-QGZVFWFLSA-N 427.356 6.623 30 10 IKEE CC(C)c1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(Cl)c(Cl)c3)n2)cc1 2324647849 UYOZEGBMPPDWHU-GOSISDBHSA-N 441.383 7.130 30 10 IKEE Cc1cc(C)c(COc2ccc3c(c2)OC(=Cc2ccc(Cl)c(Cl)c2)C3=O)cc1C 2324762564 LUVDFRYFGIWBOB-UHFFFAOYSA-N 439.338 7.114 30 10 IKEE CCOc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 2325746325 VLRUJSHIGPFODA-UHFFFAOYSA-N 442.555 6.427 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(C(F)(F)F)cc3)c2)cc1 2325750820 YVEFLMTVNRZGSF-UHFFFAOYSA-N 438.445 6.944 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1OC(=O)CC(C)C 2325754346 SOPYEKWRHKSZLB-UHFFFAOYSA-N 430.500 6.335 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1OC(=O)CCCSC 2325755338 CYYXCSZOWXZPLM-UHFFFAOYSA-N 428.550 5.265 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2cccc(C=CC(=O)c3ccc(C)c(C)c3)c2)c1 2325760613 BCQQVNJAVGIECX-UHFFFAOYSA-N 428.528 6.273 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccccc1[N+](=O)[O-] 2326541070 JBJFSGPHABXMCG-UHFFFAOYSA-N 445.932 5.111 30 10 IKEE COc1ccc(C=Nn2c(Cc3ccc(OC)cc3)nnc2SCc2ccccc2)cc1 2329277958 OTZBMQCDXZIPJS-UHFFFAOYSA-N 444.560 5.061 30 10 IKEE CCSc1nnc(CCc2cccs2)n1N=Cc1cccc(OCc2ccccc2)c1 2329654224 SNFGNLHFCDEPBL-UHFFFAOYSA-N 448.617 5.698 30 10 IKEE Fc1cccc(CSc2nnc(COc3ccccc3)n2N=Cc2ccccc2F)c1 2329902635 PIJAJFNLMURSQH-UHFFFAOYSA-N 436.487 5.310 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(CC)cc2)cc1OCC 2330752620 DQWDMGANJRKTFH-UHFFFAOYSA-N 442.983 7.073 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(CC)cc2)cc(OC)c1OC(=O)c1cncc(C)c1 2330770110 MCPUIGSCRQZUEV-UHFFFAOYSA-N 441.527 5.805 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)cc(Cl)c1OC(=O)c1ccncc1 2330786243 SWEUFDKVSUZWGF-UHFFFAOYSA-N 437.879 5.258 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccncc1 2330820966 KVLUUQZNLBTTDJ-UHFFFAOYSA-N 442.298 5.902 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OC(=O)C1CC1 2330821325 SUFJJAUBOXVHJU-UHFFFAOYSA-N 431.315 5.942 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3c(C)cccc3C)cc2)cc1 2330825762 BQUNXDKYIKRCEE-UHFFFAOYSA-N 442.555 6.527 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2Cl)n1N=Cc1ccccc1[N+](=O)[O-] 2330846638 YKNRIRGJINFXKY-UHFFFAOYSA-N 443.960 5.603 30 10 IKEE Cc1cccc(CSc2nnc([C@H]3CCCO3)n2N=Cc2ccc(Cl)c(Cl)c2)c1 2330919460 XBKJCZGLQCZGST-LJQANCHMSA-N 447.391 5.919 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(C=CC(=O)c3cccc(Cl)c3)cc2[N+](=O)[O-])c1 2331123953 RXJOCGQELHPLRQ-UHFFFAOYSA-N 449.890 5.909 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H](C)c3ccccc3)c(Cl)c2)cc1 2331195662 UIGNHGNSNYOMLK-GOSISDBHSA-N 434.919 6.344 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)c1cccs1 2331312554 KENRGLKOSDEVLY-UHFFFAOYSA-N 426.921 6.142 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)COc1ccccc1 2331326936 SVDVZCLJDQKRDK-UHFFFAOYSA-N 430.500 5.583 30 10 IKEE Cc1ccccc1NC(=O)CSc1nnc(C(C)(C)C)n1N=Cc1cccc(Cl)c1 2331382246 OWSVJFVPXMUCHD-UHFFFAOYSA-N 441.988 5.150 30 10 IKEE CC(C)(C)c1nnc(SCc2c(F)cccc2Cl)n1N=Cc1c[nH]c2ccccc12 2331418309 QGXLUTVXVGNWBG-UHFFFAOYSA-N 441.963 6.024 30 10 IKEE CCCSc1nnc(C2CCC2)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2331533318 HSSHTOZNFMAINQ-UHFFFAOYSA-N 441.000 6.162 30 10 IKEE Cc1ccsc1C=Nn1c(SCc2ccc(Cl)cc2Cl)nnc1C1CCC1 2331543514 GKZCITHUJZEAFI-UHFFFAOYSA-N 437.421 6.397 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OC(=O)C1CCC1 2331550357 OKVITGTVWCTCDK-UHFFFAOYSA-N 436.548 5.993 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)c1cncc(C)c1 2331705611 NZVZOPYJXQXEGW-UHFFFAOYSA-N 431.488 5.139 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H]3CCCO3)c(Cl)c2)c(OCC)c1 2331734103 HNBFXACMGANMFE-QFIPXVFZSA-N 444.911 5.118 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)Cc1ccc(F)cc1 2331780183 WBQHMAHGHSCQMY-UHFFFAOYSA-N 432.491 5.804 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)c1ccncc1 2331802465 VWAXXHZSIZRVPV-UHFFFAOYSA-N 429.516 5.811 30 10 IKEE C[C@H](C(=O)Oc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1)c1ccccc1 2331859864 YFYRZWPFAXUWLX-INIZCTEOSA-N 425.311 6.599 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)c(C)c3)cc2)c(OC)c1OC 2331885312 GASBYKAAZLHPGS-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE O=C(O)CO[C@@H](C#CC1CC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2337501646 WEYMPHNTAXEHQZ-VWLOTQADSA-N 442.511 5.400 30 10 IKEE Cc1nc(Oc2cc(Br)cc(I)c2)c(Cl)cc1C#N 2338671975 ZEYPOUFDZXCLRD-UHFFFAOYSA-N 449.473 5.075 30 10 IKEE CCC(CC)(CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)N(C)Cc1ccccc1 2365052703 ANMLPYFDDHDIOR-UHFFFAOYSA-N 449.448 5.829 30 10 IKEE CC1(C)OB(C=Cc2ccc(N[C@@H]3C[C@H]4C[C@@H](C3)N(Cc3ccccc3)C4)nc2)OC1(C)C 2365053768 SJVJMBUFOAUKSA-VXNXHJTFSA-N 445.416 5.191 30 10 IKEE CCCN[C@@H](C#C[C@@H]1CC1(C)C)c1ccc(I)c(Br)c1 2365096571 QYZCHKRQYORLGQ-CJNGLKHVSA-N 446.170 5.144 30 10 IKEE COc1ccc(/N=C2/S/C(=C\c3ccc(Cl)cc3)C(=O)N2[C@@H](C)c2ccccc2)cc1 15979934 BTNUFIUQQYFFJK-OXBSVYEASA-N 448.975 6.714 30 10 IKEE C=CCN1C(=O)[C@H](Cc2ccc(SC(F)F)cc2)S/C1=N\c1ccc(C(=O)O)cc1 18246188 HBKZEXDNNIEMKH-JOGXUEJDSA-N 448.516 5.060 30 10 IKEE CC(C)COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccco2)cc1 20882246 RADVMUWFAJGTMW-XHCCPWGMSA-N 428.532 6.294 30 10 IKEE CCCCOc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(OCCC)cc1)C2 20883027 YHULTNVRUGQGCD-REWPJTCUSA-N 447.575 5.659 30 10 IKEE C[C@H]1Oc2ccccc2C=C1/C=C1/Oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc2C1=O 33532407 WIRILWPNQWSSRS-IXBOPPFXSA-N 441.439 5.497 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccc(C(C)(C)C)cc1 40095858 UKIIYWRDPZRVBG-XDHUDOTRSA-N 447.575 5.686 30 10 IKEE Cc1c(C(=O)Nc2cccnc2)oc2c1/C(=N/Nc1cccc(C(F)(F)F)c1)CCC2 40824030 DFRBHOVVAFTRLJ-STBIYBPSSA-N 428.414 5.407 30 10 IKEE COc1ccc(CCN2COc3c(cc4c(c3C)O/C(=C\c3sccc3C)C4=O)C2)cc1 41588731 APLLSLJWFDZAGY-XKZIYDEJSA-N 447.556 5.384 30 10 IKEE CCCCCCCOc1ccc([C@]2(C)Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc1 100140890 CFQIBYMZCWICCF-WNCULLNHSA-N 436.596 5.955 30 10 IKEE CCCCCCCCCCCCn1c(-c2cccc(Br)c2)nc2ccccc21 102197288 GWDACIJNZQJQSX-UHFFFAOYSA-N 441.457 8.387 30 10 IKEE Cc1ccccc1/N=C1/S/C(=C2\Sc3ccccc3N2C)C(=O)N1c1ccccc1 109409554 CMBZBZZQESHYBG-DIQLGICBSA-N 429.570 6.174 30 10 IKEE COc1cc(C(=O)N[C@H](C#N)c2ccc(F)cc2F)ccc1OCc1ccc(Cl)cc1 111029086 WXMIWJNTIXCHKN-HXUWFJFHSA-N 442.849 5.200 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccc(OC)cc2)cc1 169923300 NINBIOPNDWFWBR-VWLOTQADSA-N 441.527 5.657 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2cccc(OC)c2)cc1 169934087 MLRWVYXCUXAHRY-XMMPIXPASA-N 443.499 5.104 30 10 IKEE COc1ccc(/C=N\Nc2nc(-c3ccc(C)cc3C)cs2)c(Br)c1OC 169940425 NVYYLMJSLVFPGC-YVNNLAQVSA-N 446.370 5.653 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@H]2c2ccccn2)c1 169996414 BHSRQJFXSJFADK-QFIPXVFZSA-N 432.907 5.443 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@H]1c1cccnc1)c1ccc(Cl)cc1 170008253 BNNZNNQHLWBILY-QHCPKHFHSA-N 440.886 5.671 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2C2CCCCC2)cc1 170031885 NHQLIGCFGKETBE-DEOSSOPVSA-N 449.547 5.313 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2ccccc2)c1 170046990 JDODJNWQFMJVCW-VWLOTQADSA-N 441.527 5.875 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@@H]1c1ccccc1 170052090 PJPPNSOSQNJTSM-QHCPKHFHSA-N 445.902 5.366 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@H]1c1ccccc1F 170070094 RMZQLKMNFKHCLO-DEOSSOPVSA-N 445.490 5.542 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1c[nH]c2ccccc12)c1cc2ccccc2o1 170078287 FEWANNYLCOSQRU-XMMPIXPASA-N 440.499 5.825 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C2CCCC2)c1 170121408 NQJIUIOCGJVATA-XMMPIXPASA-N 431.532 5.095 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccc(C)c2)cc1C 170139291 BIRNUBQPTRQAOO-QHCPKHFHSA-N 447.556 5.460 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccn1 170169922 CRYNZOCDPKJGAY-QHCPKHFHSA-N 444.506 5.610 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccccn2)cc1 170170910 VKPMPLKEWRXAQM-RUZDIDTESA-N 434.495 5.580 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccc2)cc1C 170224136 IJTRQOLBWAAVRW-RUZDIDTESA-N 441.527 5.875 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@H]1c1ccc(F)cc1 170243359 KOPONCCAYZGUBO-JOCHJYFZSA-N 425.500 5.336 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1cccc(O)c1 170262980 GBQBCTRJJDXSCO-FQEVSTJZSA-N 425.868 5.170 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@@H]1c1ccc(CC)cc1 170267720 FBINMQPCUSAKIF-NRFANRHFSA-N 427.928 5.289 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(CC)cc2)cc1 170268631 AADUVOXGKACOQS-DEOSSOPVSA-N 433.548 5.559 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccccc1C 170272402 MYNQSSUHXQSQLS-XMMPIXPASA-N 441.527 5.712 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccco1)c1ccc(Cl)c(Cl)c1 170286643 LTLLSMJWKSYZRU-GOSISDBHSA-N 448.689 6.023 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2sccc2C)cc1C 170312694 QZKJGRARQGWEIY-LJQANCHMSA-N 439.558 5.214 30 10 IKEE N#Cc1c(Nc2ccc(-c3ccc(F)cc3)nn2)oc(-c2ccccc2)c1-c1ccccc1 170542353 BPDIOLKIDAZPAJ-UHFFFAOYSA-N 432.458 6.825 30 10 IKEE COc1ccccc1/C=N\N=C1/S/C(=C\c2ccccc2C)C(=O)N1Cc1ccco1 210596402 YCRFEXKUVGRSPU-DOSRWIIRSA-N 431.517 5.103 30 10 IKEE CCOc1ccc(N=C2S/C(=C\c3ccc(OCC)c(OC)c3)C(=O)N2CC)cc1 252631155 VIWOCADVAOAYEJ-IRZHRRCCSA-N 426.538 5.117 30 10 IKEE CO/N=C1/C[C@@H]2[C@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]2(C)[C@@H]1/C(C)=N/OC 253537517 KLCZPBNZZJGNRW-BOLRVDKLSA-N 432.605 5.212 30 10 IKEE COc1ccc(OCCCOc2ccc(C)cc2)c(C=NNc2nc3ccccc3s2)c1 254399573 TXCWOMLOVXZTKQ-UHFFFAOYSA-N 447.560 5.907 30 10 IKEE CCCCCCCCC/C=C/COC(=O)/C=C/c1ccc(C=Nc2ccc(O)cc2)cc1 254870091 WPGZQBUUIIGDTG-LRLSSIAFSA-N 433.592 7.396 30 10 IKEE CC[C@@H](CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 256078659 ICFXJOAKQGDRCT-FQXHDPPLSA-N 428.701 7.204 30 10 IKEE endogenous,in-man CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(O)c(Cl)c2)cc1 526516960 RBRQVASAHIUCPX-HSZRJFAPSA-N 446.890 5.373 30 10 IKEE CCOc1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1OC 526607163 NGYDDKQBQSMTCV-DEOSSOPVSA-N 444.462 5.162 30 10 IKEE CCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccc(Cl)cc2)c(OCC)c1 526807156 KWMIDTBVMWCURQ-OYKKKHCWSA-N 444.988 5.466 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@@H](C#N)c1csc(Br)c1 698890002 FWENXVJMPJJVED-AWEZNQCLSA-N 427.751 6.170 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CC[C@@H](CNC(=O)OC(C)(C)C)C1 724066640 CYUQNRXQEWZPKB-HOYKHHGWSA-N 429.561 5.324 30 10 IKEE CCCCCCCCCCCCCCCC(=O)Oc1ccc(N=Cc2cccnc2)cc1 1081825602 KPTSYQFTUFZRLI-UHFFFAOYSA-N 436.640 8.219 30 10 IKEE CC(=O)Oc1cc(OCCCCCc2ccccc2)cc2c1C1=CC(=O)CC[C@@H]1[C@@H](C)N2 1615946023 ZXCKFUKLDOXABH-WZONZLPQSA-N 433.548 5.580 30 10 IKEE O=C1/C(=C/C(Cl)=C\c2ccccc2)SC(=Nc2nccs2)N1C1CCCCC1 1772732985 GFUPSPWZRYUOGA-YXIHGIIFSA-N 429.998 6.203 30 10 IKEE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1C(=NNc1ccccc1)CCC2 1772750671 FUXITDUPUYPROU-MRXNPFEDSA-N 431.511 5.861 30 10 IKEE N#Cc1cccc(NC(=O)Oc2cccc3c(NC(=O)c4ccc(F)cc4)cccc23)c1 1858767791 SWFKBSOFMMNBQK-UHFFFAOYSA-N 425.419 5.714 30 10 IKEE CC(C)Oc1ccc(-c2cc(C(=O)Nc3ccccc3C#N)nn2Cc2ccccc2)cc1 1859408466 HDAATMFBWOFEPD-UHFFFAOYSA-N 436.515 5.510 30 10 IKEE CC(C)(C)c1ccc(/C=C/C(=O)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1 1860722505 IHAHOGIPEUZWRA-CAOOACKPSA-N 447.962 6.438 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C(C)(C)C)cc1 1861808381 UZPNJXKYONOLMR-VWLOTQADSA-N 436.640 5.802 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(C)cc1 1862379940 PDTIOBAKDVBOKJ-FQEVSTJZSA-N 432.347 6.070 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOCC)[C@H]2c2cccc(C)c2)cc1 1862389950 RJLRYIKWXIOAQW-DEOSSOPVSA-N 435.564 5.343 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@H]2c2ccccc2C)cc1 1862429216 IOSSAKULBLESKD-HSZRJFAPSA-N 431.919 5.735 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCC2=CCCCC2)c1 1862489559 XLKKLGDBOXGIEU-VWLOTQADSA-N 445.559 5.781 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1cc(Cl)cc(Cl)c1 1862562815 OJFXIFKRBCPRAY-LJQANCHMSA-N 433.335 5.344 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc([N+](=O)[O-])c1 1862582556 HPDWXVHLGMKIKM-GOSISDBHSA-N 449.290 5.280 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCC(C)C)cc1 1862618423 UGMDGZXYWZVPSA-QHCPKHFHSA-N 435.564 5.617 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 1862621990 CRKBDNBSDUDZJI-FQEVSTJZSA-N 444.358 6.032 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2cccc(O)c2)cc1 1862687818 QFEMBQUDWYSGHL-QHCPKHFHSA-N 435.520 5.092 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2ccccc2)c1 1862698281 FNPWWQBKRAFTFA-QFIPXVFZSA-N 433.891 5.127 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccccc2F)c1 1862702478 DAMIRQSPESATQN-QMHKHESXSA-N 431.463 5.174 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(O)cc1 1862724935 XIGISPREARHCND-MZNJEOGPSA-N 427.500 5.436 30 10 IKEE Cc1ccc(NC2=C(c3ccc(F)c(C)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1C 1863093644 YURFQWKKUFEODI-UHFFFAOYSA-N 425.463 5.019 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(CC)cc2)=C(c2ccc(OCC)cc2)C1=O 1863204412 XLAXUMGBUMVYEB-UHFFFAOYSA-N 448.607 6.200 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(OCCC)cc2)=C(c2cc(Cl)ccc2Cl)C1=O 1863384092 KTXADNWCBZXRGZ-UHFFFAOYSA-N 431.319 5.160 30 10 IKEE CCCCCCCCNC1=C(c2cc(C)ccc2C)C(=O)N(CCCOCCCC)C1=O 1863740857 JHITVJPSKAXIPS-UHFFFAOYSA-N 442.644 5.540 30 10 IKEE CCCCCCCCNC(=O)CCCCCCCCCCN1C(=O)c2ccccc2C1=O 1865896489 QYEYFBIAAPDCKZ-UHFFFAOYSA-N 442.644 6.270 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3ccccc3[C@@H]2c2ccccc2OC)nc(C)n1 1869287893 TZYXRLCCDCAAHT-HHHXNRCGSA-N 426.564 5.124 30 10 IKEE C#CCOc1cn(Cc2cccc(C)c2)c(CSc2nc3ccccc3s2)cc1=O 1870300812 WMZYZJQRXYXUNP-UHFFFAOYSA-N 432.570 5.119 30 10 IKEE CCCCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CN1CCC(O)CC1 1870352829 KKFSSMIQKMFYOM-UHFFFAOYSA-N 434.665 5.371 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCOc2cccc(C)c2)cn1CCCCCC 1870773487 HZPTXPQKEWKFEX-UHFFFAOYSA-N 438.612 5.369 30 10 IKEE C=CCn1cc(OCCc2ccc(OC)cc2)c(=O)cc1CNc1ccc(CCCC)cc1 1871051567 SDFJEGJZNVSCFZ-UHFFFAOYSA-N 446.591 5.619 30 10 IKEE C=CCn1cc(OCc2ccccc2F)c(=O)cc1CNc1ccc(Br)cc1 1871243829 APKDRMLVUKYCPX-UHFFFAOYSA-N 443.316 5.127 30 10 IKEE COc1ccc([C@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2ccc(Cl)cc2)C4=O)cc1 1871354636 WHDCICVQMSFJTP-XLFQKYORSA-N 447.918 5.878 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc(OC(=O)c3ccc(C(F)(F)F)cc3)c2C)C1=O 1871375853 GXCTUFRJAWSPHD-WQRHYEAKSA-N 444.430 6.219 30 10 IKEE Cc1cc(O)c(CN2CCC[C@@H](C)C2)c2c1C(=O)/C(=C/c1c(Cl)cccc1Cl)O2 1871396363 BQAZKTBDJHQTMA-CFFVULROSA-N 432.347 5.856 30 10 IKEE Cc1cc(OCCOc2cccc3ccccc23)cc2c1C(=O)/C(=C/c1ccc(F)cc1)O2 1871415766 RWJXYYGWAOHVMX-QQXSKIMKSA-N 440.470 6.361 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OCC(=O)N[C@@H](C)c3ccccc3)c2C)C1=O 1871424749 VOERPEFGFXHOTM-OQLNFPPLSA-N 427.500 5.176 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1ccc2c(c1)O/C(=C\c1ccc(CC)cc1)C2=O 1871432437 CENJUXNCNPSRKY-XQGNUGGCSA-N 436.548 6.146 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OCc3ccc(C(=O)OC(C)C)o3)cc(C)c2C1=O 1871439188 MOQZGMPVHNHZAR-JAIQZWGSSA-N 438.501 5.718 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(Cl)cc2)[nH]c(N2CCOCC2)n1 1871523142 CLJRHSOUHMFEQC-UHFFFAOYSA-N 447.027 5.080 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(C(C)C)cc1)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1871829765 MGSBDZXRSHZFCM-XMMPIXPASA-N 442.625 5.267 30 10 IKEE C=C(C)CN([C@H](CC)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1872237849 QLDLMHAVQLHCKB-OAQYLSRUSA-N 449.016 5.249 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1 1872456527 JDHHSIJPVITUPD-QFIPXVFZSA-N 449.016 5.331 30 10 IKEE N#C[C@@H](C(=O)c1ccc(-n2cccc2)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872759258 ILJKOLJTASBJCP-VWLOTQADSA-N 445.547 6.758 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)[C@H](C#N)c1nc(-c2ccccc2Cl)cs1 1872764776 XQHMPNCSDJLFFY-NSHDSACASA-N 437.735 6.269 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3C)cs2)cc1OC 1872769690 XUNNJKZCCGSLDY-OSICKASQSA-N 432.545 5.724 30 10 IKEE COC(=O)c1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3cccc4ccccc34)cs2)cc1 1872775706 YDDKKFSOYCKQTJ-YDYPUGOESA-N 438.508 5.640 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(Cl)cc3)n2)c2ccccc12 1872788052 WAHUVMSWGCPILT-FQEVSTJZSA-N 432.932 6.044 30 10 IKEE C=CCN(CC=C)c1nc(Nc2ccc(OCCC)cc2)c2cnn(-c3ccccc3)c2n1 1873481877 VGORUYRMFATKMV-UHFFFAOYSA-N 440.551 5.526 30 10 IKEE Sc1nnc(Cc2ccccc2)n1/N=C/c1cccc(OCc2ccccc2Cl)c1 1873504660 GOMNKKQKVSPNIQ-MFKUBSTISA-N 434.952 5.272 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)cc2c(N3CCc4ccccc4C3)ncnc21 1873674008 AZLOXARUYDLHMP-UHFFFAOYSA-N 437.547 5.049 30 10 IKEE N#Cc1cccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(c3ccccc3)C23CCCCC3)c1 1873867411 WGZUSYFERXYQRW-VWLOTQADSA-N 435.527 5.644 30 10 IKEE CCCCCCCCCCNC(=O)COc1ccc2cc(-c3cccs3)c(=O)oc2c1 1873935079 HGLAOQNOVKOENX-UHFFFAOYSA-N 441.593 6.157 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1cccc(OCC)c1 1874287692 RYGVXFKTCSEBLV-XIEYBQDHSA-N 426.630 6.301 30 10 IKEE Cc1cccc(CSc2nnc(COc3c(C)cccc3C)n2/N=C/c2ccccc2)c1 1874299411 YUPPPCNGLGYERE-JVWAILMASA-N 442.588 5.957 30 10 IKEE CCCSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874331481 OYAMCFRSOZKNFA-AFUMVMLFSA-N 447.435 6.371 30 10 IKEE Cc1ccccc1CSc1nnc(COCc2ccccc2)n1/N=C/c1ccc(O)cc1 1874352988 LFNMZDGDYFJHOV-CVKSISIWSA-N 444.560 5.183 30 10 IKEE COc1ccccc1/C=N/n1c(CCc2cccs2)nnc1SCCc1ccccc1 1874371449 ZOMHCZYRNOTPGT-XIEYBQDHSA-N 448.617 5.350 30 10 IKEE COc1ccccc1/C=N/n1c(CCc2cccs2)nnc1SCc1ccccc1 1874371575 GJCAYDADZJDDAY-LFVJCYFKSA-N 434.590 5.308 30 10 IKEE CCSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874380564 ZKGRXNRZQBTIPB-WPWMEQJKSA-N 446.551 5.581 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cc(C)ccc3C)n2/N=C/c2ccccc2O)cc1 1874388945 COIVOUAFFJLMSW-JVWAILMASA-N 442.588 5.674 30 10 IKEE C=C(C)CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1c(OC)ccc2ccccc12 1874395067 CMNANIGFINYJFR-FQNOVECQSA-N 442.588 6.142 30 10 IKEE Oc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2cccc(F)c2)c(O)c1 1874407058 CLETUTAWXYCWPM-AFUMVMLFSA-N 440.544 5.126 30 10 IKEE CC(C)c1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccc(Cl)cc2)cc1 1874440718 PMCPNAJXEKNFIM-CVKSISIWSA-N 441.044 6.818 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2[C@@H]2CCCO2)cc1 1874450144 URURJVOPOIEZJT-IBUSPFOHSA-N 430.533 5.163 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2ccccc2)c1 1874452694 IVPDAFKSBBHZHD-MFKUBSTISA-N 433.581 5.166 30 10 IKEE C=C(C)CSc1nnc(C2CCCC2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874454532 IPFVNRMSSBXUMK-WGOQTCKBSA-N 432.593 6.065 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc(O)c(OC)c1 1874478705 NQPHXKKQNXNAES-YDZHTSKRSA-N 430.961 5.163 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C2CCC2)cc1 1874497380 HMBHBOMQNUIGKD-FOKLQQMPSA-N 433.364 5.733 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1ccc(C(F)(F)F)cc1 1874507581 KHECHWMLENSJTA-LGJNPRDNSA-N 432.515 6.041 30 10 IKEE Fc1cccc(Cl)c1COc1ccc(/C=N/n2c(S)nnc2-c2cccs2)cc1 1874559030 QKHSQNDZMIZBLD-FOKLQQMPSA-N 444.944 5.549 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2C)c1 1874580412 MQHDJEPNLPTBEE-ZRDIBKRKSA-N 433.935 6.179 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OCC(=O)Nc1ccc(C)cc1 1874594799 DETDWYPJGBRVIP-UKTHLTGXSA-N 435.907 5.571 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1OCc1c(F)cccc1Cl 1874597454 NUFFNNZRKVNBCT-WYMLVPIESA-N 446.905 7.116 30 10 IKEE CCCN(CCC)C(=O)COc1cccc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)c1 1874600181 YGTLJTHRZTYCIA-PKNBQFBNSA-N 429.944 5.272 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(Cl)c1OCc1ccc(C)cc1 1874604717 BHJMDIKDKFQGNG-NTCAYCPXSA-N 434.963 7.085 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Cl)c1OCCc1ccccc1 1874612425 UONFHOOUJGKFHJ-ZHACJKMWSA-N 427.327 6.520 30 10 IKEE CCCOc1c(Br)cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1OC 1874629349 YMHLOKVHEKCFDR-CMDGGOBGSA-N 431.370 6.376 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1OC(=O)CC(C)(C)C 1874693063 LODDGNHAZHTIKV-MHWRWJLKSA-N 428.528 6.600 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(/C=C/C(=O)c3cccc(OC)c3)ccc2OC)c1 1874695341 VYJANCUVLGYFNZ-ACCUITESSA-N 432.472 5.218 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OC(=O)c1ccc(Cl)c(Cl)c1 1874702783 JQPLAPAWDJBZIG-VZUCSPMQSA-N 441.310 6.426 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2cccc3ccccc23)c1)c1ccc2c(c1)OCCO2 1874706007 LBAYZVQDGVHRSL-ACCUITESSA-N 436.463 5.726 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2cccc(OC(=O)C34CC5CC(CC(C5)C3)C4)c2)c1C 1874710899 MDIQGDKHSQTWLX-CMDGGOBGSA-N 442.599 6.938 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1OC(=O)c1ccccc1 1874716054 ZDDONTYNOVYPOJ-NTCAYCPXSA-N 428.528 6.416 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3OC)cc2OCC)cc1 1875119995 WZDWDPWPYHCHCI-MHWRWJLKSA-N 446.499 5.608 30 10 IKEE C[C@@H](Oc1ccc(Cl)cc1)C(=O)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1Cl 1875128099 MWWPAZVHQDHDBY-ROCHPLJESA-N 441.310 6.262 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)CC(C)C)c(OCC)c2)cc1 1875130318 OFGILEARRJJFKD-KPKJPENVSA-N 430.928 5.985 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)c1cccc2ccccc12 1875139942 IXEZCTQUKOXOGU-FYWRMAATSA-N 436.507 6.581 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)c3ccco3)c(Br)c2)ccc1F 1875141496 HOFVHHYSCSWHJI-XBXARRHUSA-N 429.241 5.605 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2Cl)cc1 1875148409 NCAKUAZXVNFNAI-OQLLNIDSSA-N 446.974 6.990 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2)c(Br)c1)c1ccc(F)cc1 1875158053 CFYXZBUAYGZXFC-WUXMJOGZSA-N 425.253 5.704 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cc(OC)c(OC(=O)C3CC3)c(OC)c2)cc1C(C)C 1875162777 KWYDUALHAXGVTO-JXMROGBWSA-N 438.520 5.356 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)[C@H](C)c1ccccc1 1875171512 ADUJSOVJGXRQTJ-VSFZPWCASA-N 444.527 5.926 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)c3cccnc3)c(OC)c2)c1 1875173002 RQUYQJYDJRPLIR-DHZHZOJOSA-N 447.487 5.003 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3C)c(Cl)c2)c(C)c1 1875182930 BYRHHYOZMPEOGZ-FMIVXFBMSA-N 446.974 7.008 30 10 IKEE COCC(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1Cl 1875185998 ZEGYCJUASRDNHQ-HWKANZROSA-N 429.683 5.103 30 10 IKEE CC#CCCC[C@H](NCCC)c1cc(I)ccc1Br 1879648683 XTIRJPHZYXCIRE-INIZCTEOSA-N 434.159 5.288 30 10 IKEE Cc1c(C(=O)N2CCC(C#N)(c3ccccc3)CC2)sc2nc(-c3ccccc3)cn12 1891580606 LKHTYLPJUUAAQP-UHFFFAOYSA-N 426.545 5.069 30 10 IKEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1ccccc1CCc1ccccc1 1891683620 MUCNJSJFZHSXTN-UHFFFAOYSA-N 437.461 5.303 30 10 IKEE C=C(C)CN(Cc1ccccc1)C(=O)c1cc(Cl)ccc1I 1914548996 OZSJZRWNMLQEKW-UHFFFAOYSA-N 425.697 5.163 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC1(CNC(=O)OC(C)(C)C)CCCCC1)NCC 1922107368 LIUXQKBMMNQDRQ-QHCPKHFHSA-N 430.633 5.603 30 10 IKEE CC1(C)CN(C(=O)OC(C)(C)C)C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C1 1922769165 KSAHTSXBLRZNDB-XMMPIXPASA-N 429.561 5.357 30 10 IKEE C[C@H](NCCCONC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(C#N)c1 1937197289 UEYPMLKSLIOZIS-IBGZPJMESA-N 441.531 5.069 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](N)c1c(Br)cccc1Br 1937850575 SKIPLRVGFGWTDC-HIFRSBDPSA-N 448.199 5.071 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@]1(C#N)CCCN(Cc2ccccc2)CC1 1997811188 CPSLBCBPTQOSHA-AREMUKBSSA-N 425.617 5.895 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 2014447833 LBHABUHVDONMDS-QPPBQGQZSA-N 430.633 5.411 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2016224228 IQDHQWIXGRZXRD-UUOWRZLLSA-N 429.561 5.357 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@H]1CC=CCC1 2019449029 XPMNBCLXHRWQKV-KMDXXIMOSA-N 428.617 5.377 30 10 IKEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2032562870 XTIAFAXYCYWYKZ-OSPHWJPCSA-N 447.551 5.497 30 10 IKEE C=CCC[C@H](C)[C@@H](NCCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2040523451 VSGWRZMPWTYNMD-LADGPHEKSA-N 443.676 5.516 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@]1(C#N)CCC(F)(F)C[C@@H]1OCc1ccccc1 2043782134 NGSYCGINVWGJAD-URXFXBBRSA-N 448.554 6.223 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@]12CCCC[C@@H]1N(C(=O)OC(C)(C)C)CCC2 2046612918 XDISHNLUXLGFPG-DPZBCOQUSA-N 442.644 5.697 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NC)c1c(Cl)ccc(Br)c1F 2058352275 OXYGXHWCXJAHOG-BBRMVZONSA-N 435.765 5.362 30 10 IKEE Cc1ccc([C@@H](C2CC2)n2nc(C(C)(C)C)c(C#N)c2I)cc1F 2078978183 RYQHIYLNXNYQCJ-MRXNPFEDSA-N 437.300 5.104 30 10 IKEE CCc1nn([C@@H](c2ccc(C)cc2F)C(C)(C)C)c(I)c1C#N 2079035275 BAKZTWJSVBKDKG-INIZCTEOSA-N 425.289 5.005 30 10 IKEE CC(C)[C@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)(F)F)c(C(=O)O)c1Cl 2080055675 IUPYFLPTHYXXDW-LLVKDONJSA-N 432.723 5.657 30 10 IKEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cccc(Br)c1Cl 2081393190 VSFJWUQOFCMDSH-NVXWUHKLSA-N 429.786 5.060 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCC)c2c(Cl)cccc2Br)C1 2126625551 DIURONRUWNQVPY-KRWDZBQOSA-N 443.813 5.614 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCCO[C@H]1C(C)(C)C 2160258420 PUUAUWVNLCKFEX-LAUBAEHRSA-N 437.378 5.678 30 10 IKEE CC(C)(C)OC(=O)NCC1(CNc2ccc(C#N)c(Br)c2F)CCCCC1 2162326559 COCHLZLNNYVBGK-UHFFFAOYSA-N 440.357 5.347 30 10 IKEE CC1(C)CCC[C@H]([C@](C)(C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)C1 2168591575 KEEQIWOZRCQGLD-AOMKIAJQSA-N 435.406 6.689 30 10 IKEE Cc1cc(F)c([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)c(Br)c1 2173405192 NZVQVNBVBPTMEA-KRWDZBQOSA-N 437.284 6.042 30 10 IKEE Cc1cc(F)c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)c(Br)c1 2173405193 NZVQVNBVBPTMEA-QGZVFWFLSA-N 437.284 6.042 30 10 IKEE C[C@@H]1CC[C@@]2(CSC(=Nc3ccc(Cl)c(I)c3Cl)N2)C1 2194661469 MWKRJSCXPKIBCM-CLAHSXSESA-N 441.165 5.481 30 10 IKEE Cc1sc([C@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)c(C)c1Br 2219357454 PTKZYAHDZSJCSP-AWEZNQCLSA-N 441.416 6.191 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C)(CNc2ccc(C#N)c(Br)c2F)CC1(C)C 2236744897 SCZMZMFRLZHQPT-HXUWFJFHSA-N 440.357 5.297 30 10 IKEE C=C(COCc1ccccc1)[C@@]1(OCC(=O)O)CCC(F)(F)C[C@H]1OCc1ccccc1 2261827835 IOEITIAYNURQJZ-RDGATRHJSA-N 446.490 5.004 30 10 IKEE C=CCC[C@@H](OCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2262085084 MGPIZXUIQSDZNH-XMMPIXPASA-N 432.516 5.953 30 10 IKEE CCc1cc(C(C)=NOCc2ccc(C3CCCCC3)c(C(F)(F)F)c2)ccc1C=O 2296562529 LZVPPNPKHOGSRF-UHFFFAOYSA-N 431.498 7.069 30 10 IKEE O=C(C=Cc1ccco1)Nc1ccc(C(=O)C=Cc2ccc(-c3ccccc3Cl)o2)cc1 2314523339 RFIAPFMTCBAEMB-UHFFFAOYSA-N 443.886 6.741 30 10 IKEE C=CC[C@H]1CCC[C@@H]1NCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2315454435 XASQOXYWYQROKR-SVBPBHIXSA-N 427.588 6.679 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OCc4ccc(Cl)cc4)c3C)C2=O)c1OC 2321769968 IWENWJZOSARRFN-UHFFFAOYSA-N 436.891 5.861 30 10 IKEE O=C1C(=Cc2cccc(Cl)c2)Oc2c1ccc1c2CN(Cc2ccccc2Cl)CO1 2321958371 CQLULJBNOFAXGY-UHFFFAOYSA-N 438.310 5.962 30 10 IKEE COc1ccc(C=C2Oc3c(ccc4c3CN([C@H]3CCCC[C@H]3C)CO4)C2=O)c(OC)c1 2322145949 DYMFQPCQRZFFMV-IERDGZPVSA-N 435.520 5.051 30 10 IKEE COc1ccc(OC)c(C=C2Oc3c4c(cc(C)c3C2=O)OCN([C@H]2CCCC[C@@H]2C)C4)c1 2322146227 UMJLATCJXAWEOB-KKSFZXQISA-N 449.547 5.359 30 10 IKEE Cc1ccc(C)c(CN2COc3cc(C)c4c(c3C2)OC(=Cc2ccccc2Cl)C4=O)c1 2322170933 SLMADRLZFORXCC-UHFFFAOYSA-N 445.946 6.234 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(F)cc2F)c1OCC(=O)Nc1ccccc1F 2322502336 KAYJALVPAMUHKH-UHFFFAOYSA-N 441.405 5.026 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccccc2OCC(=O)NCc2ccccc2)cc1 2322681114 UGMMSJGBSRENTN-UHFFFAOYSA-N 427.544 5.575 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccccc2C=CC(=O)c2ccc(C(C)C)cc2)c1 2322724957 DAUUBDPHRDMUNS-UHFFFAOYSA-N 427.544 6.340 30 10 IKEE CCOC(=O)c1ccc(COc2c(C=CC(=O)c3c(C)cc(C)cc3C)cccc2OC)o1 2322952701 LTLWVZIJEZCNOX-UHFFFAOYSA-N 448.515 5.865 30 10 IKEE CN(C)c1ccc(C=C2Oc3cc(OC(=O)CCCOc4ccccc4)ccc3C2=O)cc1 2323177765 NSQKFJAHESZASO-UHFFFAOYSA-N 443.499 5.133 30 10 IKEE O=C(C=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccc2c(c1)OCCO2 2323181931 VMNOJSGENKVWOK-UHFFFAOYSA-N 441.310 6.240 30 10 IKEE Cc1cccc(NC(=O)COc2cccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 2323194050 VNZRKJRNKSWZGD-UHFFFAOYSA-N 427.544 6.206 30 10 IKEE O=C(C=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccc2c(c1)OCO2 2323200432 RCTGQHSLEGZYCY-UHFFFAOYSA-N 427.283 6.197 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1OCc1ccc(Cl)cc1 2323259233 YXHSEQSNJOXKAK-UHFFFAOYSA-N 434.963 7.057 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC)c3ccccc23)c(Br)c1OC 2323331428 DYWJYFJNBLEQEF-UHFFFAOYSA-N 427.294 5.524 30 10 IKEE Cc1c(OC(=O)Cc2cccc3ccccc23)ccc2c1OC(=Cc1ccccc1F)C2=O 2323400561 WIWFMRJOTCZLCA-UHFFFAOYSA-N 438.454 6.052 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OCCc1ccccc1 2323433536 QRDABGDIOHUWRK-UHFFFAOYSA-N 426.556 6.482 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3F)c(OC)c2)cc1C 2323580492 XOGQWCZVABIGPK-UHFFFAOYSA-N 449.478 5.065 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)c4cccc(OC(C)C)c4)cc(C)c3C2=O)cc1 2323808811 CEVPVKCIZLJDTR-UHFFFAOYSA-N 444.483 5.626 30 10 IKEE CCCOc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2323827278 PDNMGJSSKMHNNN-UHFFFAOYSA-N 448.902 6.273 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(F)c2)C3=O)cc1 2323829504 DEJKKYQYWFGIQE-UHFFFAOYSA-N 432.447 5.758 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(OC)c2)C3=O)cc1 2323829769 QXYDKGAEWRSHGK-UHFFFAOYSA-N 444.483 5.628 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc([N+](=O)[O-])c1OCc1ccccc1 2323864864 QBYIGGXNNKCKKC-UHFFFAOYSA-N 431.488 6.085 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)c1 2323944047 FQJNZZABYYZSNQ-UHFFFAOYSA-N 445.773 7.739 30 10 IKEE CCCCN(CCCC)Cc1c(O)ccc2c1OC(=Cc1ccccc1OC(F)F)C2=O 2324077904 WTKQXPSZHSQDAN-UHFFFAOYSA-N 445.506 6.012 30 10 IKEE CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1C)OC(=Cc1cccs1)C2=O 2324326134 ZADAZZKRZCRGGI-INIZCTEOSA-N 449.528 5.477 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 2324358750 ZQQAFYGDZHMEKK-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE CCc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccccc4Cl)ccc3C2=O)cc1 2324388950 QMBWVVAPCQVLSN-MRXNPFEDSA-N 447.918 5.925 30 10 IKEE Cc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccccc1F)C2=O 2324407231 OXRZONLJDZMWKO-QGZVFWFLSA-N 431.463 5.465 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccc(C)cc2)C3=O)cc1 2324452467 QYWRLEGIUJIDKL-GOSISDBHSA-N 443.499 5.334 30 10 IKEE CCN(CC)C(=O)COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1OC 2324588755 RTUJREQCGKEAAK-UHFFFAOYSA-N 437.580 5.444 30 10 IKEE CCc1ccc(OCCCOc2cc(C)c3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2324662335 YMKZNSFQDYJXPG-UHFFFAOYSA-N 448.946 6.675 30 10 IKEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1c[nH]c2ccccc12 2325513171 NMEGDZGSBNUNKV-UHFFFAOYSA-N 434.525 5.185 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1cccc(Br)c1 2325565348 CMGTZZAINIOIOD-UHFFFAOYSA-N 443.414 5.784 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(C(F)(F)F)cc1 2325603498 VBGIFFKECBSCQC-UHFFFAOYSA-N 440.494 6.187 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(Cl)c(Cl)c1 2325603861 AAIVJSQDCCFRCO-UHFFFAOYSA-N 441.387 6.475 30 10 IKEE COc1cc(C=CC(=O)C(=O)Nc2ccccc2OC(C)C)ccc1OCc1ccccc1 2325652621 SGDLRFYYENEXOJ-UHFFFAOYSA-N 445.515 5.282 30 10 IKEE CCc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2C)C3=O)cc1 2325723158 RXEAGWDTRSHNTH-UHFFFAOYSA-N 427.500 5.500 30 10 IKEE CCCOc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3c(C)cc(C)cc3C)c2)cc1 2325764616 KJSMUYJBVQODMU-UHFFFAOYSA-N 442.555 6.445 30 10 IKEE Cc1ccc(CSc2nnc(COc3c(C)ccc(C)c3C)n2N=Cc2ccco2)cc1 2327239173 DSRHNVQVGHODDL-UHFFFAOYSA-N 446.576 5.858 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccc(Cl)cc1 2327571127 GUZQPTCZEAUWCW-UHFFFAOYSA-N 433.364 5.714 30 10 IKEE CCCSc1nnc(COCc2ccccc2)n1N=Cc1ccc(C(F)(F)F)cc1 2329354393 IMGXASLRAGRYRZ-UHFFFAOYSA-N 434.487 5.398 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3cccs3)n2N=Cc2ccc([N+](=O)[O-])cc2)c1 2330583997 OVDHIMHQTIGYQZ-UHFFFAOYSA-N 449.561 5.706 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccc(Cl)cc3)c(OC)c2)cc1 2330770505 XDCSMMKBBLWRGY-UHFFFAOYSA-N 448.946 6.345 30 10 IKEE CCCOc1ccc(C=Nn2c(SCCc3ccccc3)nnc2[C@@H]2CCCO2)cc1 2330968022 LSBXDXBDHTZFAW-QFIPXVFZSA-N 436.581 5.135 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2[C@H]2CCCO2)cc1 2330994504 KDQPVLGBVHXPNW-HXUWFJFHSA-N 442.972 5.356 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCc3cccc4ccccc34)nnc2C(F)(F)F)c1 2331146831 BEYONIFEJGIXDU-UHFFFAOYSA-N 442.466 5.639 30 10 IKEE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2Cl)cc1 2331165887 PGLOYFADCDCCNZ-IBGZPJMESA-N 448.946 6.732 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(-c3ccco3)n2N=Cc2ccc(Cl)cc2)cc1 2331189368 MFQLRRVSMMHOHV-UHFFFAOYSA-N 439.884 5.274 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)c1ccc(C)cc1 2331225327 HAPDYWWBVNGFBN-UHFFFAOYSA-N 448.946 6.779 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)C(C)(C)C)c(Br)c1 2331361300 GIPJSSUTPPCOLJ-UHFFFAOYSA-N 431.326 5.614 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(Cl)c(Cl)c1 2331376097 HXFZPKHVCXMBBQ-UHFFFAOYSA-N 437.371 6.196 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)cc(Cl)c1OC(=O)C1CCCC1 2331396770 BTTQIDKXRRBUGM-UHFFFAOYSA-N 442.895 5.112 30 10 IKEE CC(C)Cc1nnc(SCc2ccccc2Cl)n1N=Cc1ccccc1[N+](=O)[O-] 2331456345 DICULKXWMDUYCB-UHFFFAOYSA-N 429.933 5.213 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)C3CCCC3)c(Br)c2)cc1 2331497898 MKOMCOYVKMJBOJ-UHFFFAOYSA-N 441.365 6.564 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(SCc2ccccc2F)nnc1C1CCC1 2331523402 WBSNVVBUQHNMJP-UHFFFAOYSA-N 446.551 6.021 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)c1cnccn1 2331708149 GZYGBXLSBZEINM-UHFFFAOYSA-N 436.895 5.261 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c(Cl)c2)cc1OCC 2331834790 XUKSXFVOFRWYIW-UHFFFAOYSA-N 444.955 6.519 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3cncc(C)c3)c(OC)c2)cc1C 2331854738 DSTVRBBDCJDEAY-UHFFFAOYSA-N 431.488 5.139 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)C1CCCC1 2331863850 TUFMLXQRMBOXIM-UHFFFAOYSA-N 433.331 6.384 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1CNc1ccc(C#N)c(Br)c1 2358977184 QPLGVZKNYAPRSP-YJLNNSPDSA-N 434.378 5.301 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1CNc1cc(Br)cc(C#N)c1 2358977395 ZHJJUCCFEJQHMQ-IPELMVKDSA-N 434.378 5.301 30 10 IKEE CCCC(CS)(CCC)COCc1ccc(Cl)cc1I 2365653017 JCBFLWJDWXQKAF-UHFFFAOYSA-N 426.791 5.978 30 10 IKEE COC(=O)C[n+]1c2c(c(-c3ccccc3)c3c1-c1ccccc1CC3)CCc1ccccc1-2 15770548 PDACWXSTPDNJLE-UHFFFAOYSA-N 432.543 5.345 30 10 IKEE Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@@H]3c2ccc(O)c(O)c2)cc1 17101409 VDEXBJLFOQKVLE-HFJWLAOPSA-N 437.499 5.172 30 10 IKEE COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(F)c2)c1 20882355 DIOOIORMVVJZGJ-XGCWNURASA-N 444.506 5.822 30 10 IKEE Cc1cc(C)cc(N/C(=N\C(=O)c2ccc(Cl)cc2)N2CCN(c3ccccc3)CC2)c1 32946178 GODVTQMCVWRJAZ-UHFFFAOYSA-N 446.982 5.387 30 10 IKEE COc1ccc(/C=N/N=C(\C(=O)c2ccccc2)c2ccccc2)cc1OCc1ccccc1 33431722 ODFSYYMDRFEUAE-WKLDVNKYSA-N 448.522 5.980 30 10 IKEE C=CCc1ccccc1OCCn1c(CCCNC(=O)C2CCCCC2)nc2ccccc21 40204875 JFIXAQZJBMSYPI-UHFFFAOYSA-N 445.607 5.473 30 10 IKEE C=CCc1ccccc1OCCCn1c([C@@H](O)c2ccccc2)nc2cc(C)c(C)cc21 40310528 VNTCZYIILOMHRC-MHZLTWQESA-N 426.560 5.932 30 10 IKEE C[C@@H]1CCc2c(C#N)c(NC(=O)COc3ccc(Cl)cc3Cl)sc(=S)c2C1 41014132 UWPAJMDKXIEYFT-SNVBAGLBSA-N 439.389 5.798 30 10 IKEE O=C(/C=C\c1cccc(NC(=O)c2ccccc2Cl)c1)c1cccc(N2CCCC2=O)c1 96126335 OCBAMWUIDNQYKH-YPKPFQOOSA-N 444.918 5.615 30 10 IKEE CCCCCCCCCCCCCCCCNCc1cccc(OC)c1OCC(C)C 100125400 QVKBVISAGOCNHI-UHFFFAOYSA-N 433.721 8.301 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2cccc(C(=O)NCCCOC)c2)cc1 100384937 URAWQMIPZBTQJX-UHFFFAOYSA-N 426.557 5.054 30 10 IKEE O=C1ON=C(c2ccccc2)/C1=C\c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 100392954 HKTREAXSELOJGV-XDHOZWIPSA-N 438.266 5.557 30 10 IKEE CCCCCCCCCCCCN1C(=O)C2(OCCO2)c2cc(Br)ccc21 101327478 GMALCBKVVMEVME-UHFFFAOYSA-N 438.406 5.916 30 10 IKEE CCCCCCCCCCCn1c([C@H](C)NC(=O)c2ccc(OC)cc2)nc2ccccc21 102222182 UFIXUPNZCWOWAV-QFIPXVFZSA-N 449.639 7.067 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)/C(=C(\O)c4ccc(C)o4)[C@H]3c3ccccc3)sc2c1 102725991 DRSYIQCDSLXEDX-SADKCHQCSA-N 444.512 5.386 30 10 IKEE C=CCn1c(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)c(C)c2cc(C(C)C)ccc21 169870202 YFKJUEPGCOFYNR-HSZRJFAPSA-N 443.547 5.166 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccc(F)cc2)cc1 169922043 XCORERGHIAFLLJ-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2ccccc2C)cc1 169926361 JPGIFFGBVDHJRL-XMMPIXPASA-N 438.483 5.268 30 10 IKEE CCN1C(=S)N[C@@H](c2cc(Cl)c(OCC(C)C)c(Cl)c2)C2=C1CCCC2=O 169932976 ULRBHXCYTITICZ-SFHVURJKSA-N 427.397 5.286 30 10 IKEE O=C1CCCC2=C1[C@@H](c1ccc(OCc3ccc(Cl)c(Cl)c3)cc1)NC(=S)N2 169938943 BODGTUXJNBZRHA-HXUWFJFHSA-N 433.360 5.098 30 10 IKEE CC(C)Oc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2)cc1 169977471 JDYJEYFFLPWFNL-QHCPKHFHSA-N 447.918 5.910 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2ccccc2)cc1 170032713 LYSXYPRHOACUQS-XMMPIXPASA-N 443.499 5.267 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(O)c(Cl)c2)c1 170040673 KBAYJEDHRXEFJY-QFIPXVFZSA-N 449.890 5.227 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2c(C)[nH]c3ccccc23)ccc1F 170104007 WEROUCBNLJDASR-HSZRJFAPSA-N 444.462 5.295 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccc(C)c2)c1 170142882 PBTJTQXBTFMIAW-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccs2)ccc1Cl 170154132 DEYRYZYJRWVZKV-SFHVURJKSA-N 445.949 5.250 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccccn2)c1 170172315 AAZZOEZPDJVFMJ-DEOSSOPVSA-N 442.515 5.269 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2cccnc2)cc1Cl 170190354 UHIBEVYBYWWTJU-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccncc2)cc1C 170199402 WYUFPRLJNCWHKJ-QHCPKHFHSA-N 446.478 5.101 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccccc1)c1cccc2ccccc12 170226530 ZOQJOGIQYYUPED-XMMPIXPASA-N 439.898 6.276 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@H]1c1ccco1)c1ccc2ccccc2c1 170287370 ZWRIUBREFGWDQQ-SANMLTNESA-N 445.474 6.369 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2c(C)[nH]c3ccccc23)cc1C 170312360 XHQVMSHAHPRDOK-DEOSSOPVSA-N 446.547 5.562 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1c(C)[nH]c2ccccc12 170312391 NFWGSANLSQLHLK-JOCHJYFZSA-N 444.487 5.219 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2sccc2C)cc1 170312624 YIEIMUUESQUCLU-LJQANCHMSA-N 439.558 5.295 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2sccc2C)cc1C 170315285 HVAKMLVIYRVRFH-OAQYLSRUSA-N 433.529 5.465 30 10 IKEE C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCC)c1 170324446 TWJPPJFZUSYLTD-XMMPIXPASA-N 427.500 5.393 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)cc1)c1cccs1 170339643 SRHXACINSIKYTQ-SFHVURJKSA-N 446.311 5.543 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)c1 170374473 GCNOUYUEQUEGDA-QFIPXVFZSA-N 433.891 5.522 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccco1 170379992 VZYZRLHIWORENB-GOSISDBHSA-N 432.234 5.508 30 10 IKEE COc1ccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2Cc2cccc(C(F)(F)F)c2)cc1 170428089 RXDAPQVVNQDRIX-IBGZPJMESA-N 447.453 5.225 30 10 IKEE Cc1ccsc1/C=C1/SC(=Nc2ccccc2)N(Cc2ccc(C(=O)O)cc2)C1=O 252636743 XLZSHPBJWPABFW-JTKXPSIUSA-N 434.542 5.559 30 10 IKEE COc1cc(C=Nn2cnnc2SCc2ccc(C)cc2)ccc1OCc1ccccc1 254797242 DAHBYLZGIOAQND-UHFFFAOYSA-N 444.560 5.349 30 10 IKEE COc1cc(N=Cc2cc([N+](=O)[O-])ccc2O)ccc1NC(=O)c1cc2ccccc2o1 254843547 ACPASIHTPFJGPU-UHFFFAOYSA-N 431.404 5.058 30 10 IKEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)c1cccc(OCc2ccccc2)c1 405049716 HGESHSNHTYJJEQ-UHFFFAOYSA-N 443.352 5.126 30 10 IKEE C=CCn1c(C)cc(C(=O)Cc2nc(O)c3c(-c4ccc(OC)cc4)csc3n2)c1C 510237311 MMZIRLRDAOQBJQ-UHFFFAOYSA-N 433.533 5.102 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(F)cc2)c1 526605200 NYKBCKAYKOOFOS-VWLOTQADSA-N 442.490 5.933 30 10 IKEE Oc1ccccc1/C=N\n1c(CCc2ccccc2)nnc1SCc1ccc(Cl)cc1 526809128 YPNQKSYRVMFKEX-QQXSKIMKSA-N 448.979 5.597 30 10 IKEE C=CCN(CC=C)C(=O)Nc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 586663853 NITZPVGWWQRRDE-UHFFFAOYSA-N 426.520 5.131 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@@]1(C#N)CCCN(Cc2ccccc2)C1 698947514 VJQIPTVKTZKVBW-XMMPIXPASA-N 425.960 5.640 30 10 IKEE C[C@@H]1c2ccccc2C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 698968576 YOBJYYJPQAMOQJ-IVZQSRNASA-N 427.342 5.813 30 10 IKEE CCCCCCCCCCCCOc1ccc([C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2N)cc1 725428945 RVKHBKCZOBFWCK-JWQCQUIFSA-N 446.676 6.648 30 10 IKEE C=CCn1c(SCC(=O)OC/C=C\c2ccccc2)nnc1C12CC3CC(CC(C3)C1)C2 1084165564 UOAFCHLYYAOINR-TWGQIWQCSA-N 449.620 5.281 30 10 IKEE CCN1C(=O)C[C@H](C(=O)Nc2cccc(C)c2)SC1=Nc1cc(Cl)cc(Cl)c1 1084603476 REPJPDFNBRXXOV-QGZVFWFLSA-N 436.364 5.282 30 10 IKEE N#Cc1ccc(CN(CCSc2ccc(F)cc2F)c2ccc3nc(O)[nH]c3c2)cc1 1652763743 GJIXUYVPOVTFNX-UHFFFAOYSA-N 436.487 5.217 30 10 IKEE CC(C)Cc1c(Cl)c(C(=O)Nc2ccc(C#N)cc2)nn1Cc1c(F)cccc1Cl 1859379512 OZOUWQLTSSRPAJ-UHFFFAOYSA-N 445.325 5.700 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)Cc1cc(OC)ccc1Cl 1860979411 PXQBSXRFVCAMHG-OAQYLSRUSA-N 425.013 5.043 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)c1ccc(OCC(C)C)cc1 1861770047 CUUDIBIXMVWICK-XMMPIXPASA-N 432.649 5.877 30 10 IKEE CCCCc1cc(C(=O)Nc2cccc(C#N)c2)nn1Cc1ccc(Cl)c(Cl)c1 1862330919 KDFZHQNJLDDSIJ-UHFFFAOYSA-N 427.335 5.705 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(C(C)C)cc1 1862380519 FHTXKWVBDSZVHS-OAQYLSRUSA-N 446.374 6.495 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C[C@@H](C)O)cc1 1862381220 UXNKMXQMYUOBHC-XCLFUZPHSA-N 448.346 5.076 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2c(F)cccc2Cl)cc1 1862397180 NZOYVFNLNHDPAE-OAQYLSRUSA-N 429.919 5.808 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccccc2C)cc1C 1862400408 DDPRKWCRKUEBEW-RUZDIDTESA-N 447.575 6.003 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(C)cc2)cc1C 1862400607 IQISDSNIFXUOIT-XMMPIXPASA-N 445.490 5.230 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(C(C)C)cc1 1862445899 GRAFJPPMXYRAFI-QHCPKHFHSA-N 439.983 6.622 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862477165 SUMCATRYBVHNBN-XMMPIXPASA-N 427.500 5.091 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@H]2c2cccc(O)c2)cc1 1862533039 KARKFUSFTKOOIL-VWLOTQADSA-N 441.527 5.084 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(F)cc1F 1862596183 SXIJJPFVEYXXRC-FPTDNZKUSA-N 435.426 5.010 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1cccc(OC)c1 1862615647 LLZRAKCJJAGMRP-QHCPKHFHSA-N 435.564 5.761 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2F)cc1 1862617105 UUUFFLUTCNDWIE-QFIPXVFZSA-N 433.479 5.495 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 1862663410 RDHADSXIRFZXSX-UPVQGACJSA-N 433.548 5.130 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(C(=O)O)cc1 1862664193 GIGPMBWWDHGOMM-QFIPXVFZSA-N 435.520 5.133 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(F)cc2)cc1 1862672781 GSHLULQLJUIOLF-VOIUYBSRSA-N 447.481 5.867 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1c(Cl)cccc1Cl 1862760309 LULQCFYATXVURK-GOSISDBHSA-N 449.290 5.280 30 10 IKEE CSc1cccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(C)c(C)c3)C2=O)c1 1862883050 UYOMREKJTCDSPR-UHFFFAOYSA-N 439.540 5.294 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(NC(C)=O)cc2)=C(c2ccc(C)cc2)C1=O 1863265145 SSTRCESWINDPMV-UHFFFAOYSA-N 447.579 5.506 30 10 IKEE CCCOc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 1863344328 ZWRPNZLKZFSUEF-FDDCHVKYSA-N 443.547 5.118 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccc(C#N)cc3)C(=O)N(CCC3=CCCCC3)C2=O)c1 1863402507 ZPVXMVLEMVVYTF-UHFFFAOYSA-N 425.532 5.258 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Cl)c(C(F)(F)F)c2)=C(c2ccc(F)c(C)c2)C1=O 1863453484 IXAJUKNXUKBJIG-UHFFFAOYSA-N 438.808 5.184 30 10 IKEE CCCCCCCCNC1=C(c2ccc(Cl)c(Cl)c2)C(=O)N(CCC(C)C)C1=O 1863635776 LKUZMTATYIJEIN-UHFFFAOYSA-N 439.427 6.070 30 10 IKEE Cc1ccccc1-c1ccc2[nH]cc(C(=O)Nc3sc4c(c3C#N)CCCC4)c(=O)c2c1 1866475427 USIBYIIFXNVEBC-UHFFFAOYSA-N 439.540 5.568 30 10 IKEE N#Cc1ccccc1Nc1cc(N2CCO[C@H](c3ccccc3)C2)nc(-c2ccccc2)n1 1868372154 DESNKPKRTVTSQT-DEOSSOPVSA-N 433.515 5.337 30 10 IKEE CCCc1nc(Nc2ccc(C#N)cc2)cc(N2CCS[C@H](c3ccc(OC)cc3)C2)n1 1868400843 GZRKOLIPPOTLIS-QFIPXVFZSA-N 445.592 5.347 30 10 IKEE CCCCN(C)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1Cc1ccc(Cl)cc1 1870350271 XLMJJWWZYVCULA-UHFFFAOYSA-N 449.982 5.233 30 10 IKEE CCCCCCCCCCn1cc(OCCCCC)c(=O)cc1CN1C[C@H](C)O[C@@H](C)C1 1870678571 BYZYHXYSTLLLMM-ZEQRLZLVSA-N 448.692 6.167 30 10 IKEE CCCCCCCOc1cn(CCCOCCCC)c(CNc2cccc(F)c2)cc1=O 1870830228 IWCKQFSHZQECIP-UHFFFAOYSA-N 446.607 6.156 30 10 IKEE C=CCn1cc(OCCCCOc2ccccc2C)c(=O)cc1CNc1cccc(C)c1C 1871227660 CUZZKRPTENIYNK-UHFFFAOYSA-N 446.591 5.810 30 10 IKEE CCCCCCCCn1cc(OCCCO)c(=O)cc1CNc1ccc(CCCC)cc1 1871266346 TVJJQDHUWSNOEV-UHFFFAOYSA-N 442.644 5.925 30 10 IKEE Cc1ccc(Oc2ccc(-c3nc(C)c(C(=O)Nc4ccc(C#N)cc4)s3)cc2)cc1 1871275303 WIIDVIYZXZNMRM-UHFFFAOYSA-N 425.513 6.343 30 10 IKEE CCCCC[C@@H](CC)N1COc2ccc3c(c2C1)O/C(=C\c1ccc(Cl)cc1)C3=O 1871347540 GIVAYRVXQPGOFG-JVMBGAFUSA-N 425.956 6.467 30 10 IKEE CCCCCCCCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccccc1)C3=O 1871350660 ONWNPCYYPJBOIH-BWAHOGKJSA-N 433.592 6.904 30 10 IKEE CCCOc1ccccc1/C=C/C(=O)Oc1ccc2c(c1)O/C(=C\c1cccnc1)C2=O 1871376084 SAGHWQCTQYTIHV-USQUCKOTSA-N 427.456 5.105 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O)c1ccc(Cl)c([N+](=O)[O-])c1 1871383110 DFDYXKLCXRJWQO-KACMKLLYSA-N 447.830 5.640 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(OC)cc2)C3=O)CC1 1871383604 VDKSIKYUSUDPFC-UQQQWYQISA-N 448.559 6.522 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc(C)c3C2=O)o1 1871383738 NTMHUXPUZBFDTA-OCKHKDLRSA-N 439.807 5.293 30 10 IKEE Cc1c(O[C@@H](C)C(=O)OC(C)C)ccc2c1O/C(=C\c1cccc(Br)c1)C2=O 1871401232 XDVZVADCVAUGJR-KVMVOAJRSA-N 445.309 5.093 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1 1871407627 MZDIFZWBYRNSGV-PKFJFBDISA-N 441.527 6.141 30 10 IKEE CCc1ccc(NC(=O)[C@H](CC)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871426503 QKWRUQXNXKUIRT-XYUXXQEKSA-N 445.515 5.871 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1 1871454494 MZJMOVSGKPTNPF-QFEZKATASA-N 441.527 6.061 30 10 IKEE COc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871457230 VWTBYJFZTBPYNW-AJRXITOCSA-N 441.483 5.194 30 10 IKEE CCc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 1872759912 CNNYIWSXWVHUPK-XMMPIXPASA-N 444.600 6.287 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccccc3C(C)C)n2)cc1C 1872765685 UVARSFIRLMXUCU-XLIONFOSSA-N 434.561 5.894 30 10 IKEE CCCCCCCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(OC)c3)n2)cc1 1872776316 NKSCWPLZUZTKQQ-QHCPKHFHSA-N 448.588 6.658 30 10 IKEE CC(C)c1ccc(O[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc1 1872776615 TUYKQGDSTWKMJT-FDDCHVKYSA-N 432.589 6.701 30 10 IKEE CC(C)COc1cccc(C(=O)[C@@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)c1 1872787172 CTMAOQYGRNNDPD-GOSISDBHSA-N 445.371 6.642 30 10 IKEE C=CCc1ccccc1OCc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1 1872859372 NWGSXOMVDVNBCI-OAQYLSRUSA-N 425.572 6.364 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2nc3ccccc3[nH]2)=C(c2ccccc2C)C1=O 1873106111 QHIQEYUHLJDTJA-UHFFFAOYSA-N 444.579 5.102 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(OCC)cc2)=C(c2cccnc2)C1=O 1873265674 WBKRNHCGMUEXPP-UHFFFAOYSA-N 449.595 5.813 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(CCCC)cc2)=C(c2c(Cl)cccc2Cl)C1=O 1873289194 ALUGKQGVUHEVGO-UHFFFAOYSA-N 429.347 5.714 30 10 IKEE CCCSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1ccccc1F 1874206534 HBVAJCIZLDDYEU-FOKLQQMPSA-N 439.343 5.687 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(CCc3ccccc3OC)nnc2SC)cc1 1874311714 QNACSYUVQGAYIE-XIEYBQDHSA-N 438.597 5.245 30 10 IKEE Cc1ccccc1CCc1nnc(SCCCO)n1/N=C/c1ccc(Cl)cc1Cl 1874363421 DRJPPFUPKXCLCS-ZVHZXABRSA-N 449.407 5.035 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCCc2ccccc2)n1/N=C/c1cccc(F)c1 1874400275 MRMVIFHMUVMIBK-WRGIWNTCSA-N 430.552 5.786 30 10 IKEE COc1cccc(/C=N/n2c(Cc3cccs3)nnc2SCc2ccccc2C)c1 1874411062 STNAIPFGKOORDQ-BUVRLJJBSA-N 434.590 5.422 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2cc(C)ccc2O)c1 1874415939 OTMYSMFEFYEIIY-WGOQTCKBSA-N 428.561 5.366 30 10 IKEE CCCOC(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874430251 ZVCVSHQEOKJKQN-PCLIKHOPSA-N 436.581 5.170 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1c(Cl)cccc1Cl 1874476142 DVBCUESAAIITEI-WYMPLXKRSA-N 437.371 6.241 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccccc1OCCC 1874477484 CBGODNBUUAMRGP-PCLIKHOPSA-N 426.561 5.723 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(SCCc2ccccc2)nnc1C(C)(C)C 1874484485 YJUHEYBLRBBWPJ-OVVQPSECSA-N 444.604 5.954 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1cccc(F)c1 1874485961 VIJNZMRGQUIEOI-BHGWPJFGSA-N 437.371 6.196 30 10 IKEE COCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1cccc(Cl)c1 1874502696 VGHQOHXYPAJJMB-LSFURLLWSA-N 441.771 5.559 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CCC)nnc1SCc1cccc(Cl)c1 1874510858 YYDDMIPMHXORNM-BUVRLJJBSA-N 426.973 5.623 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(CC)cc1 1874511430 YBTNQUOMNBWVGC-ZMOGYAJESA-N 433.408 6.274 30 10 IKEE COc1cc(/C=N/n2c(SCc3cccc(F)c3)nnc2C(C)C)ccc1OC(C)C 1874512223 MZPIIBKNLKTOLS-DHRITJCHSA-N 442.560 5.511 30 10 IKEE Cc1cccc(C)c1NC(=O)CSc1nnc(C)n1/N=C/c1ccc(C(C)(C)C)cc1 1874532355 ZOICWIPNAJXSOH-AFUMVMLFSA-N 435.597 5.114 30 10 IKEE Cc1cccc(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c1C 1874575273 FGUUUVAFQAXHPC-NTCAYCPXSA-N 430.460 5.125 30 10 IKEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1cccc(Cl)c1)NCc1ccco1 1874577471 OWSMMDGVLHKBJX-SOFGYWHQSA-N 430.287 5.178 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2C)c(C)c1 1874578694 BTDBGOJWTZFNKL-FMIVXFBMSA-N 433.935 6.179 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3cccc(Cl)c3)c2)cc1 1874593619 STDWFMZPUCRFJP-RVDMUPIBSA-N 434.963 7.166 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3ccccc3CC)c2)cc1 1874593975 LEUHXVATWGSXMN-FOWTUZBSSA-N 443.543 5.734 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OCC(=O)N[C@H](C)c3ccccc3)c2)cc1 1874595884 HYBILAKKMBGPFY-GUOCTKQSSA-N 443.543 5.628 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OCC(=O)N[C@H](C)c1ccccc1 1874595894 ICSFZZLGLDHCBG-ZISLFAKRSA-N 443.543 5.464 30 10 IKEE CCCOc1c(OC)ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)c1Br 1874599217 ASJYLBJPSBBOPI-CSKARUKUSA-N 431.370 6.376 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(Cl)c1OCCc1ccccc1 1874602414 KVQGMHOODWRFQJ-SDNWHVSQSA-N 442.942 7.019 30 10 IKEE CCOc1c(Br)cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1Br 1874618488 CYPWTEPMGXXEAQ-QPJJXVBHSA-N 442.122 5.954 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3cc(C)ccc3C)c(Cl)c2)c(C)c1C 1874626614 NLDQOZFWLXJOMO-DHZHZOJOSA-N 434.963 7.057 30 10 IKEE O=C(Cc1cc(Cl)ccc1Cl)Oc1cccc(/C=C/C(=O)c2ccccc2Cl)c1 1874696604 IFIDZXILVKOJDO-DHZHZOJOSA-N 445.729 6.691 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OC(=O)COc1ccc(C)cc1C 1874703404 OAUULCORYGKOFN-PKNBQFBNSA-N 444.527 5.809 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(Cl)s2)CSc2nnc(CC)n21 1874842058 SSQDIXZLNZAADD-CQSZACIVSA-N 427.039 5.618 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3C)c(Cl)c2)cc1OC 1875098361 FTOYBASKVYDOKV-DHZHZOJOSA-N 436.891 5.781 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)c(F)c2F)cc1)c1ccc([N+](=O)[O-])cc1 1875117260 LLHHYMJVJHXDOT-KGVSQERTSA-N 427.334 5.127 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc([N+](=O)[O-])c1OC(=O)c1cccc(F)c1 1875127045 MADNABBHSJBKLW-VAWYXSNFSA-N 435.407 5.248 30 10 IKEE CCCCCCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2)cc1 1875127709 UGPHXTIUWPMMQI-DEDYPNTBSA-N 428.528 6.761 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)Cc1ccc(F)cc1F 1875139995 KWSZIUPTDUNFSZ-UXBLZVDNSA-N 436.454 5.634 30 10 IKEE COc1cccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 1875148601 IWPGSRIEXMYESK-LICLKQGHSA-N 444.527 5.873 30 10 IKEE Cc1cncc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2Br)c1 1875158051 CCUIWYVVHLBZBO-KRXBUXKQSA-N 440.268 5.407 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)C(C)(C)C)c(OC)c2)c(C)c1C 1875164615 RYLKIJROIPBQMG-CSKARUKUSA-N 430.928 5.822 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3)c(Cl)c2)c(C)c1C 1875167218 UXDYDYYPINABKW-UKTHLTGXSA-N 448.946 6.400 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)ccc1OC(=O)c1cccs1 1875189659 ATEDGAHGDKBQFK-CSKARUKUSA-N 436.529 5.888 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc(Cl)c1OC(=O)CC(C)C 1875191049 BIZPTBUIPZMTFR-QPJJXVBHSA-N 441.738 6.503 30 10 IKEE N#Cc1ccc(CC(=O)N2CCC(c3ccc4cc(-c5ccccc5)cnc4n3)CC2)cc1 1890808725 YAEPZJLHVTVJQD-UHFFFAOYSA-N 432.527 5.117 30 10 IKEE CCCCCCCCC[C@@H](CCCN(Cc1ccccc1)C(=O)OC(C)(C)C)NCCC 1915234939 REJKPIVGUMGWKP-SANMLTNESA-N 446.720 7.713 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1sc(CNC(=O)OC(C)(C)C)nc1C 1922114848 BUNPFAIVWQVEIB-NRFANRHFSA-N 445.629 5.290 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)c1c(Br)cccc1Br 1937848219 AJCURYHXYKEOSH-CYBMUJFWSA-N 447.167 5.254 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCC[C@H]2CNC(=O)OC(C)(C)C)c1 1944590218 UFRYNCRNWDPHAW-UUOWRZLLSA-N 429.561 5.324 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@](C#N)(N(C(=O)OC(C)(C)C)c1ccccc1Cl)C2 1950025273 DRXDVHBOQGSMLQ-WIRVKHDMSA-N 447.963 5.373 30 10 IKEE C#Cc1cccc([C@@H](CCCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 1951530104 DIEQDCGJLGNGAD-AREMUKBSSA-N 439.511 5.503 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](C[C@H](C)COCc2ccccc2)NCCC)C1 2011718607 CMTWFEUGMGJNAN-NZQKXSOJSA-N 430.633 5.459 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1N(C(=O)OC(C)(C)C)CCCC1(C)C 2013226062 GQMIJXXPPLCOFA-XZOQPEGZSA-N 430.633 5.553 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@H](C#N)c1c(Cl)cccc1Br 2033938121 NTEJZPPLGRLCEU-MRXNPFEDSA-N 427.770 6.237 30 10 IKEE CCN(CC)S(=O)(=O)c1ccc(C(=O)C=Cc2ccc(Oc3ccccc3)cc2)cc1 2053621360 DIZBDXWPJIBTTP-UHFFFAOYSA-N 435.545 5.406 30 10 IKEE CC(C)[C@H](c1ccc(C(F)(F)F)cc1F)n1nc(C2CCC2)c(C#N)c1Br 2079926696 GKMDPAKNPGLNBZ-QGZVFWFLSA-N 444.270 6.188 30 10 IKEE Cc1ccc([C@H](n2nc(C(F)(F)F)c(C#N)c2Br)C2(C)CC2)c(F)c1F 2079951581 UVGJPNSEQDNPID-AWEZNQCLSA-N 434.206 5.512 30 10 IKEE COc1c2c(nc3c(-c4ccc(C(F)(F)F)cc4F)c(C(F)(F)F)nn13)CCCC2 2081158551 BSEXCASONCCSMG-UHFFFAOYSA-N 433.327 5.460 30 10 IKEE CC(C)(C)OC(=O)N1CCCCC[C@@H]1CNc1ccc(C#N)c(Br)c1F 2105985622 OAPLIMVHTOSXBA-CQSZACIVSA-N 426.330 5.051 30 10 IKEE C=CCN(CC[C@H](Cc1cccc(Br)c1Cl)NCC)C(=O)OC(C)(C)C 2110493916 BXULKGFMGZYICR-MRXNPFEDSA-N 445.829 5.436 30 10 IKEE C[C@H]1[C@@H](Nc2cc(Br)cc(F)c2C#N)CC(C)(C)CN1Cc1ccccc1 2163690218 QBIGXACZFLVWBU-BTYIYWSLSA-N 430.365 5.561 30 10 IKEE CCCCCCCCCC[C@@H](N)c1c(Br)sc(Br)c1Cl 2164490323 AXWUWBYEMOSNCM-LLVKDONJSA-N 445.692 7.457 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2c(F)cc(Br)cc2F)c1 2170702647 DHYBNHONOZSDEC-KRWDZBQOSA-N 437.284 6.042 30 10 IKEE Brc1cccc(Br)c1CN=C1N[C@H](c2cccs2)CS1 2175638533 IMLRMTMSJVTWFU-LBPRGKRZSA-N 432.206 5.207 30 10 IKEE C=CCCCCCC[C@@H](NC)[C@@H](O)c1scc(Br)c1Br 2206896036 ZOGSJMWAYHBFPD-TZMCWYRMSA-N 425.230 5.421 30 10 IKEE CN[C@@H](CC#CC1CCCCC1)c1ccc(Br)cc1I 2207271818 KHBCZNGYPKMJQA-KRWDZBQOSA-N 446.170 5.288 30 10 IKEE CC[C@H]1CC[C@@](NC(=O)OC(C)(C)C)([C@H](O)C#Cc2ccccc2Br)CC1 2235727644 GKZFDGRRXUSXAW-ZWDAVXSWSA-N 436.390 5.025 30 10 IKEE CN[C@@H](C#Cc1ccc(Cl)cc1)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2239460714 YCPVIRSOHNLQLQ-SFHVURJKSA-N 449.776 5.762 30 10 IKEE C=C(C)CCCCSC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2241951030 WMVLHPUGZNBGJL-HSZRJFAPSA-N 439.577 5.458 30 10 IKEE C=C(COCc1ccccc1)[C@](C)(OCCCN)c1ccc(Br)cc1Cl 2277208742 IOYGWFGORZBFFV-NRFANRHFSA-N 438.793 5.456 30 10 IKEE CC1(C)OB(c2sccc2C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)OC1(C)C 2282522999 SBRQEABXSOCKGG-UHFFFAOYSA-N 432.565 5.260 30 10 IKEE C=C([C@@](C)(OCCCN)c1cc(Br)c(Br)s1)[Si](C)(C)C 2294329248 AGBUPJASBHWDSX-CQSZACIVSA-N 441.305 5.287 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CC(=O)C#Cc2ccc(Br)cc2)CC1 2296280568 AWFZGIFMNGMDNF-IYARVYRRSA-N 434.374 5.091 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)c1cscc1OCc1ccccc1 2296304378 GQOHQCFHZUWVDL-JOCHJYFZSA-N 440.406 6.182 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1c(F)cccc1Cl)C2=O)c1ccc(Cl)cc1 2296867566 XXZZEPXXENDOQO-UHFFFAOYSA-N 429.230 5.968 30 10 IKEE CN1C(=CC=CC2=CC(=C3C=CC=[S+]3)OC(c3cccs3)=C2)C(C)(C)c2ccccc21 2297612498 OVTGZSPRDQIFGN-UHFFFAOYSA-N 442.629 6.580 30 10 IKEE COCc1ccc(CN(C(=O)OC(C)(C)C)[C@@]2(C#N)CC[C@@H]2OCc2ccccc2)s1 2303027670 LRQCNLCABATYEO-XUZZJYLKSA-N 442.581 5.273 30 10 IKEE C[C@@H]1CC[C@]2(N=Cc3ccccc3O)Oc3ccccc3[C@H](N=Cc3ccccc3O)[C@H]2C1 2313625008 OWYKDRRRWCDWCE-UNOUULJZSA-N 440.543 5.902 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)c(OC)c2)cc1 2314430235 ZHSUUVIZFSTNGT-UHFFFAOYSA-N 444.527 6.117 30 10 IKEE Cc1ccc(CCc2nnc(S)n2N=Cc2cccc(Oc3ccccc3)c2)cc1C 2322044742 GRAWCGZAJRDMPP-UHFFFAOYSA-N 428.561 5.643 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 2322312056 AQUPRDJJTOFWCN-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE COc1cccc(C=CC(=O)c2ccc3c(c2)CCCC3)c1OCc1cccc(Cl)c1 2322339022 GBJKLKCKPNVBDH-UHFFFAOYSA-N 432.947 6.703 30 10 IKEE CCCCN1COc2c(cc3c(c2C)OC(=Cc2cn(C)c4ccc(OC)cc24)C3=O)C1 2322341279 SAYNRLHJPKYRDH-UHFFFAOYSA-N 432.520 5.064 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2c(OCC(=O)N(CC)CC)ccc3ccccc23)cc1 2322391692 UEZZHLCEGVNFJJ-UHFFFAOYSA-N 443.587 6.326 30 10 IKEE CCOc1c(Br)cc(Br)cc1C=CC(=O)c1ccc(C)cc1C 2322572761 FCHZBYSKWNBUKJ-UHFFFAOYSA-N 438.159 6.123 30 10 IKEE Cc1c(OC(=O)c2ccco2)ccc2c1OC(=Cc1ccccc1Br)C2=O 2322659578 VFQOAWUQACZFJG-UHFFFAOYSA-N 425.234 5.186 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc3c(c2)OCO3)c1OCc1cccc(F)c1 2322698821 LIFWUSVDPQWDHJ-UHFFFAOYSA-N 440.854 5.692 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1c(OCc2cccc(F)c2)ccc2ccccc12 2322851563 MDCCPHLUYSFIFU-UHFFFAOYSA-N 440.514 7.079 30 10 IKEE COc1cccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)c1OCc1ccc(Cl)cc1 2322969070 RPHUMFLQPKLFBL-UHFFFAOYSA-N 448.990 7.430 30 10 IKEE Cc1cc(OC(=O)C=Cc2ccc(F)cc2)cc2c1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)O2 2323045722 HCMATIKHUVJBHY-UHFFFAOYSA-N 445.402 5.277 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)cc1 2323076105 MORBCORHMPUJCS-UHFFFAOYSA-N 445.515 6.421 30 10 IKEE O=C1C(=Cc2ccccn2)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc21 2323211466 CINMRURSHAKZDQ-UHFFFAOYSA-N 433.463 5.435 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 2323332103 UWAJBUQYIXVUJW-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE CCCNC(=O)COc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1Cl 2323351699 BUPNLEDFNZBHTQ-UHFFFAOYSA-N 433.935 5.808 30 10 IKEE Cc1cccc(COc2ccc(C=CC(=O)c3ccc(-c4ccccc4)cc3)cc2[N+](=O)[O-])c1 2323352542 KIBJCIJZCZONBI-UHFFFAOYSA-N 449.506 7.045 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OCc1ccccc1Cl 2323433429 KLBNITRKXHOREN-UHFFFAOYSA-N 446.974 7.093 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)C(Cl)=Cc4ccccc4)cc(C)c3C2=O)cc1 2323441163 GLUWFSYOQNHFBW-UHFFFAOYSA-N 430.887 6.105 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OCc3nc(O)c4ccccc4n3)c(Cl)c2)c1 2323486220 AVVLIIRDSFZSNN-UHFFFAOYSA-N 446.890 5.473 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1ccc(F)cc1F 2323720755 CXHADDPBQRDSNI-UHFFFAOYSA-N 429.806 6.002 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Cl)c1OCc1ccc(Cl)cc1 2323844500 WPHCBXIESBIVKL-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OCc1ccc(Cl)cc1 2324009950 OILHGNGHHSVESC-UHFFFAOYSA-N 436.935 6.531 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(Br)c1OCC 2324077275 GKHJCSVAHGLVCJ-UHFFFAOYSA-N 431.370 6.440 30 10 IKEE COc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1cccs1)C2=O 2324473868 SOKGFKFIHRLXRM-OAHLLOKOSA-N 435.501 5.087 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2cccs2)C3=O)c(C)c1 2324494498 RXNFYLBWRPDGLT-QGZVFWFLSA-N 433.529 5.696 30 10 IKEE Cc1c(Cl)cccc1NC(=O)COc1ccc2c(c1)OC(=Cc1cccs1)C2=O 2325053069 GSBJUTFNBGUTAN-UHFFFAOYSA-N 425.893 5.344 30 10 IKEE COc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2cccc(F)c2)cc1 2325471700 YRGMCGVQIXSSBY-UHFFFAOYSA-N 432.524 5.191 30 10 IKEE CC(C)COc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(C(C)C)cc3)c2)cc1 2325750713 QIZAHEWLGKAHNO-UHFFFAOYSA-N 442.555 6.960 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2cc(Cl)ccc2Cl)c1)c1ccc(F)c(F)c1 2325753532 ORNFKBQNUSWWSQ-UHFFFAOYSA-N 433.237 6.387 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)cc1C 2325760487 BXQBCQXRNOZEEJ-UHFFFAOYSA-N 446.415 5.235 30 10 IKEE Cc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(OCc2ccccc2)cc1 2326540998 RKWQPFHDHMYZLZ-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE CCCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccc(N(C)C)cc1 2327300294 KVHYYJPVWKMEBE-UHFFFAOYSA-N 437.613 5.233 30 10 IKEE Fc1cccc(CSc2nnc(CCc3ccccc3Cl)n2N=Cc2ccco2)c1 2327941538 LIDNEFRHVRAOBR-UHFFFAOYSA-N 440.931 5.623 30 10 IKEE C=CCSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc(OCC)cc1 2327970371 DBTKRDKLKANTMH-UHFFFAOYSA-N 426.973 5.276 30 10 IKEE CCCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc(C(C)(C)C)cc1 2328075455 MTUZHYNVLCVVAI-UHFFFAOYSA-N 441.044 6.399 30 10 IKEE CCCCC1CCC(c2nnc(SCC(=O)OC)n2N=Cc2ccc(C)cc2)CC1 2328180709 QMTLPNPULOUZQR-UHFFFAOYSA-N 428.602 5.198 30 10 IKEE C=CCSc1nnc(COc2cccc(C)c2C)n1N=Cc1c(Cl)cccc1Cl 2328857478 PPISOQDCLDBXAD-UHFFFAOYSA-N 447.391 5.941 30 10 IKEE Cc1ccc(C=Nn2c(CCc3cccs3)nnc2SCc2ccc(C)cc2)cc1 2329629248 RISMCCGFNDCNLA-UHFFFAOYSA-N 432.618 5.916 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3F)n2N=Cc2cccn2C)c1 2329745763 DBPHHUJYBFHJGH-UHFFFAOYSA-N 433.556 5.138 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3)n2N=Cc2cccc(Cl)c2)c1 2330492883 FGGOUROGGIWOMQ-UHFFFAOYSA-N 447.007 6.314 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)C=Cc1ccccc1[N+](=O)[O-] 2330645930 UVLDEUYJQOSUMZ-OAQYLSRUSA-N 431.577 5.150 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1OCC 2330672235 QAAAZVKOANDFII-UHFFFAOYSA-N 430.544 7.010 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccc(C)cc3C)c(Cl)c2)cc1 2330743821 ZMDXPKVBWKGBJL-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE Cc1cccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2Cl)c1C 2331520740 CRGKVAMUBCVKHR-UHFFFAOYSA-N 438.882 5.976 30 10 IKEE COc1cc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CCC2)ccc1O 2331541563 DZPGDTXHJNOEKS-UHFFFAOYSA-N 428.945 5.088 30 10 IKEE CCCC(=O)Oc1ccc(C=CC(=O)c2cc(Cl)c(OC)cc2OC)cc1OCC 2331701518 LMWOLBWGPVJVIJ-UHFFFAOYSA-N 432.900 5.358 30 10 IKEE C[C@H](Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C(C)(C)CNC(=O)OC(C)(C)C 2339595099 FNORGVAYSSBIFA-KRWDZBQOSA-N 446.397 5.044 30 10 IKEE CC#CCN(C[C@H](NCCC)c1c(F)ccc(Br)c1F)C(=O)OC(C)(C)C 2363133797 VCFBCOMAXJZRQI-INIZCTEOSA-N 445.348 5.028 30 10 IKEE CCN[C@@H](C#Cc1cccs1)c1cc(Cl)c(NC(=O)OC(C)(C)C)c(Cl)c1 2363553585 CITBNVJODZRZOY-KRWDZBQOSA-N 425.381 6.104 30 10 IKEE CC1(C)OB(C=Cc2ccc(N[C@@H]3C[C@@H]4CC[C@H](C3)N4Cc3ccccc3)nc2)OC1(C)C 2365103924 DNVUSUWNBHHABK-BKFWDETESA-N 445.416 5.334 30 10 IKEE C=CCCCCCCC[C@@H](NCC)c1sc(Cl)cc1I 2366652592 KOFDRTAHJRZSCU-CQSZACIVSA-N 425.807 6.573 30 10 IKEE CCN1/C(=C2\S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=O)Sc2ccccc21 15945551 FHDQEWZBUVEURS-UNGFZDNBSA-N 441.666 6.385 30 10 IKEE Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 20882985 XGJRNUDSLSFWRZ-NIYFSFCBSA-N 425.488 5.883 30 10 IKEE Cc1cccc(C(=O)/N=C(/NCCc2c[nH]c3ccccc23)Nc2ccc(Cl)cc2C)c1 32943112 KZQNCXOPGAQGFQ-UHFFFAOYSA-N 444.966 5.879 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccccc3Br)ccc2C1=O 33368877 NRDVLXNBQGJNPY-MTJSOVHGSA-N 435.273 5.593 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(C(C)(C)C)cc1)C3=O)CN(Cc1ccncc1)CO2 41588155 XICYIEHKDSLNSZ-CFRMEGHHSA-N 440.543 5.656 30 10 IKEE CCc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCc2cccs2)C4)cc1 41648169 WVUULOSYCXEJQC-UCQKPKSFSA-N 431.557 5.630 30 10 IKEE CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)ON1C(=O)CCC1=O 97978653 AWUMFVFMQMCKHT-KUBAVDMBSA-N 425.569 6.072 30 10 IKEE CCCCCCCOc1cccc(NC(=O)CNc2cccc(NC(=O)c3ccco3)c2)c1 100113938 WIBNZFIHWWORIQ-UHFFFAOYSA-N 449.551 5.932 30 10 IKEE CCCCCCCN1C(=O)C[C@@H](C(=O)Nc2ccccc2F)S/C1=N\c1ccccc1 100171374 IRKKPOBMKZYKAO-TYGLDRHGSA-N 441.572 5.756 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2ccc(OCCCc3ccccc3)cc2)cc1 100237460 DEIXYXUAHYPPOK-UHFFFAOYSA-N 445.603 7.300 30 10 IKEE CCCCCCCCCn1c(CCNC(=O)Cc2ccc(OC)cc2)nc2ccccc21 102143510 QJUIMARGWKIQNC-UHFFFAOYSA-N 435.612 5.697 30 10 IKEE CC(C)COc1c(Cl)cc(/C=N\n2c(S)nnc2CCc2ccccc2)cc1Cl 169911359 WHVOPLPDYSLUKR-MSXFZWOLSA-N 449.407 5.576 30 10 IKEE CCCN1C(=S)N[C@H](c2ccccc2OCc2ccc(Cl)cc2)C2=C1CCCC2=O 169930183 NXDDNPMALNKLNH-HSZRJFAPSA-N 440.996 5.567 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2cccc(OC)c2)cc1 169931322 UZQHMDQSDZWRAU-HSZRJFAPSA-N 447.918 5.694 30 10 IKEE CCN1C(=S)N[C@H](c2c(OCc3ccccc3)ccc3ccccc23)C2=C1CCCC2=O 169933151 ZNJDSBSELKQVJG-AREMUKBSSA-N 442.584 5.677 30 10 IKEE CC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 169936888 CBDYAEMHEHYORV-HXUWFJFHSA-N 435.376 5.296 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@@H]1c1ccccc1OC 169940928 LJFGZHVSZZJLPU-XMMPIXPASA-N 443.499 5.104 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2cccc(C)c2)c(C)c1 169972327 QOBAUPWOVWOGAU-DEOSSOPVSA-N 445.490 5.230 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OC(C)C)cc1 169978904 ACYFFISWHQYSGI-QFIPXVFZSA-N 441.955 5.896 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1cccs1)c1ccc(Cl)cc1 169987847 NXIOTPIHGZDRLT-SFHVURJKSA-N 431.847 5.463 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(Cl)c2)[C@@H]1c1ccncc1 170021740 SHFLNYNNHTWFKL-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@H]2c2ccncc2)ccc1F 170022237 SZPIRVJTYKXOSG-NRFANRHFSA-N 436.870 5.274 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2cccc(C)c2)cc1 170028347 YQAYEQTXUQNMHU-XMMPIXPASA-N 427.500 5.485 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccccc2C)cc1 170029848 MANXWCQIJWQHQU-RUZDIDTESA-N 441.527 5.793 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccc(Cl)cc1)c1cccc(Cl)c1 170058788 FGZFLYXRAGGGDN-FQEVSTJZSA-N 439.298 5.167 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccc(F)cc1)c1cccc(Cl)c1 170060983 VBXKJIWVAGHRMY-FQEVSTJZSA-N 443.808 5.540 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccc(F)cc2)cc1 170063127 DDDRUXUJJLEOKH-QFIPXVFZSA-N 435.882 5.824 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(C)o2)cc1 170101286 SQVCMKOVXMHOGO-QHCPKHFHSA-N 447.487 5.087 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1CCCOC(C)C 170107718 ACALOAAIGHQBHS-SFHVURJKSA-N 433.957 5.103 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1OC 170125693 IPTCTIVYSNXUSI-HXUWFJFHSA-N 448.346 5.771 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc(C)c2)cc1Cl 170145341 TYJKBGLMJDQWHB-JOCHJYFZSA-N 439.939 5.568 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(C(C)(C)C)cc1 170149884 VWMDRQRZZCRZRW-QFIPXVFZSA-N 435.520 5.091 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccccc1OC(C)C 170151308 CYXMZZKMXDFOPQ-HSZRJFAPSA-N 437.536 5.249 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccccn2)c1 170173435 HXIOTPMZHPYSOW-JOCHJYFZSA-N 448.906 5.307 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccncc2)c(C)c1 170205589 AZFNEBQLZFFJMN-XMMPIXPASA-N 442.515 5.269 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccccc2)cc1C 170226942 RSKNCMQHNQJHLF-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(C(C)C)cc1 170244698 MPNUGCLMFAJNLC-RUZDIDTESA-N 447.575 5.304 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1c[nH]c2ccccc12)c1ccc2ccccc2c1 170254334 SLWYTQHVEVGLLG-AREMUKBSSA-N 444.490 6.104 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccc2C)ccc1Cl 170271360 XBQROZUDWCMKJZ-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@@H]1c1ccco1 170282509 XYOHFYLFLIHGSM-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2Cc2cccs2)o1 170297974 YYUQWGXXFMSGRQ-OAQYLSRUSA-N 437.517 5.215 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CCC)c1 170323723 BXSOXPSTXXIJAK-JOCHJYFZSA-N 449.503 5.219 30 10 IKEE CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3cccs3)sc2c1 170477364 RCPMHMOMOKOZHB-IBGZPJMESA-N 442.562 5.272 30 10 IKEE CCc1ccc(N=C2S/C(=C/C=C\c3ccccc3)C(=O)N2c2ccc(CC)cc2)cc1 252624530 PPVNLTXZAAHASO-NMIJIDOLSA-N 438.596 7.176 30 10 IKEE N#Cc1c(N=Cc2cc3c(cc2[N+](=O)[O-])OCO3)oc(-c2ccccc2)c1-c1ccccc1 254821667 ALXRAJNZXSEGFK-UHFFFAOYSA-N 437.411 5.873 30 10 IKEE FC(F)(F)c1ccccc1C=NNc1nc(Nc2ccccc2)nc(N2CCCCC2)n1 254855744 VYEYNXYGEZNVMX-UHFFFAOYSA-N 441.461 5.070 30 10 IKEE C=C(C)[C@H](O)CC[C@](C)(O)[C@H]1CC[C@@]2(C)[C@@H]1CC[C@H]1[C@H]2CC[C@@H]2C(C)(C)C(=O)CC[C@]12C 263584406 SCSPVSFAVCLWPP-BSGQGDCWSA-N 444.700 6.319 30 10 IKEE N#Cc1cc(Cl)ccc1Nc1ccc(Br)c(I)c1 306036498 XOGAVQFCYQYVGF-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE CCCCCCCCCCNc1cc(I)ccc1Br 311516739 CZGJDTLBIQQMFD-UHFFFAOYSA-N 438.191 6.606 30 10 IKEE CC1(C)OB(c2cccc(OCCOc3ccc(OCc4ccccc4)cc3)c2)OC1(C)C 379422406 GLSGIPKPTDLJFP-UHFFFAOYSA-N 446.352 5.023 30 10 IKEE N#Cc1ccc(NCc2cc(Cl)ccc2I)c(Br)c1 405291705 HUTFXGQOVGLCIS-UHFFFAOYSA-N 447.501 5.191 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(O)cc2)c1 526487877 GWBTYGYCKZXNRX-VWLOTQADSA-N 440.499 5.500 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@@H]2c2ccc(O)c(Cl)c2)cc1 526488430 OKVVYSOJHRVMQK-NRFANRHFSA-N 437.282 5.628 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccc(F)c2)cc1OC 526605792 SMFLZDLVXXQLMK-XMMPIXPASA-N 444.462 5.162 30 10 IKEE COc1ccc([C@@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1Cl 526608189 GNWKYHHTGIBMLI-HSZRJFAPSA-N 430.891 5.586 30 10 IKEE Cc1ccc(SC2=C(Nc3cccc(C#N)c3)C(=O)N(c3cccc(C)c3)C2=O)cc1 526661414 HPRGPGYCUQJIDJ-UHFFFAOYSA-N 425.513 5.164 30 10 IKEE CC(C)Oc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)cc2F)cc1 526710711 SBSGWLITMLRIOB-QHCPKHFHSA-N 449.453 5.535 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1/N=C\c1cccc(OCC)c1O 526803241 TVIXPFDOBRFAOH-OYKKKHCWSA-N 428.533 5.039 30 10 IKEE Cc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1c(Cl)ccc(Cl)c1Cl 526811575 OJSUDJFGULLACG-UYOCIXKTSA-N 446.190 6.375 30 10 IKEE CC(C)(C)c1cc(/C=N\n2cnnc2SCc2cccc(F)c2)cc(C(C)(C)C)c1O 526824455 DJLFDWXTSWODDC-WKIKZPBSSA-N 440.588 5.892 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1ccc(F)cc1Cl 698455063 ZJMFIRBSOHUZSM-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE C[C@H]1c2ccccc2C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 698967072 UXZWPMSRUDSWQE-OYHNWAKOSA-N 427.342 5.813 30 10 IKEE CCCCCCCCCCCCNC(=O)[C@H]1CCC[C@H]1C(=O)NCCCCCCCC 725237663 AXHHOMACSHJFKN-RPBOFIJWSA-N 436.725 6.917 30 10 IKEE CC1=NN(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)C1=NNc1ccccc1Cl 1084183459 VZOQNDYXOSOTFU-UHFFFAOYSA-N 430.320 5.308 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2)SC(=Nc2ccncc2Cl)N1c1ccccc1 1772735396 HNRZZLRWVJYIAB-OSZNWEDFSA-N 426.328 6.197 30 10 IKEE COc1cc(/C=C2\SC(=Nc3ccncc3Cl)N(c3ccccc3)C2=O)ccc1O 1772738720 VWUCASCRJFLQIA-RKQNKVCSSA-N 437.908 5.258 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCSC)NC(=O)CCc1ccc(C)c(C)c1 1861094469 CCXIVKNRYFTKGE-DEOSSOPVSA-N 448.717 5.731 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])[C@H](C)CC 1861132915 BNVWSAPONYDQRS-RQTXVRDTSA-N 445.604 5.396 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)c1c(OC)cccc1OC 1861485131 WOJPVBIPHCIGSX-HXUWFJFHSA-N 434.621 5.249 30 10 IKEE CCCCCCCCNC(=O)[C@](C)(CC)NC(=O)COc1ccc(OC)cc1C(C)(C)C 1861624136 SRYCCLLDODCEEB-SANMLTNESA-N 448.648 5.133 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc2cc[nH]c2c1 1862381110 RWEGKDGOIZNMME-FQEVSTJZSA-N 443.330 5.709 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(Cl)c2)cc1 1862392018 OBKFYDXIPSPEGY-HSZRJFAPSA-N 437.967 6.204 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccccc2F)cc1 1862444204 XUYIHLBUJTXWOK-HSZRJFAPSA-N 449.909 5.609 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccc(F)cc2F)cc1 1862477905 VETVQQNIWSDXPI-QFIPXVFZSA-N 437.417 5.191 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccccc1[N+](=O)[O-] 1862505925 HJJOLNXJHNSISX-OAQYLSRUSA-N 440.471 5.201 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2cccc(C)c2)cc1 1862514048 DBMRIFHXTWQFFE-NIDLKEISSA-N 447.575 5.941 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccccc2C)cc1 1862515616 TYBRJZGVPOFJBF-RUZDIDTESA-N 447.575 6.085 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(C(C)C)cc1 1862534414 RJWWDSFGXGUEJE-DEOSSOPVSA-N 435.564 5.377 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc2cc[nH]c2c1 1862561264 RSPNYMDEMAUBNJ-FYSMJZIKSA-N 437.499 5.090 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(Cl)cc1Cl 1862587134 KFVKGBMUKFKVCQ-INIZCTEOSA-N 445.129 5.898 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1cccc(OC)c1 1862591683 LZVGNBNHCXMKIV-XXBNENTESA-N 437.536 5.338 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)cc1 1862595804 QAERHECBFMTVQT-CUHUQNRHSA-N 433.548 5.673 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(C(C)(C)C)cc2)=C(O)C(=O)N1[C@H]1CCCC[C@H]1C 1862613996 VEZYFFIXPFFQJW-HFRGRHLUSA-N 445.603 6.450 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccc(O)c2)cc1 1862614096 XRALXFXBPPGWQF-JOCHJYFZSA-N 447.556 5.530 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1cccc2ccccc12 1862620099 KQSYJRBPDDAEJX-IQGLISFBSA-N 441.571 6.514 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@@H]1c1ccccc1)c1ccc2c(c1)OCO2 1862620862 CFVQCMLURKNXSC-HSZRJFAPSA-N 433.504 5.107 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cc(Cl)cc(Cl)c1 1862631762 GLXQSHDGXHLBAJ-IBGZPJMESA-N 448.302 5.101 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2Cc2ccccc2)cc1 1862648637 GZPDVAGMGALWPF-SANMLTNESA-N 433.507 5.927 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCC)cc1 1862667495 CJUPLMULTKLEOJ-XMMPIXPASA-N 435.564 5.977 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2ccc(Cl)cc2Cl)cc1 1862667819 KUWRQPSTDSBYTR-ZUOKHONESA-N 448.346 5.076 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc(F)cc2F)cc1 1862691836 WTOVQSPIRMGIDM-UPNLOYSTSA-N 441.474 5.130 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccccc2C)c1 1862699329 SLIWNNYPEHBWDT-XMMPIXPASA-N 431.532 5.472 30 10 IKEE CCCCCCN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(OC(C)C)cc2)C1=O 1863357504 PWYUCXNBITUKFZ-UHFFFAOYSA-N 431.536 5.118 30 10 IKEE CCCCCCCCNC1=C(c2ccc(Br)cc2)C(=O)N(CCCC)C1=O 1863552115 SHVGMRBFEPUYRV-UHFFFAOYSA-N 435.406 5.279 30 10 IKEE CCCCCCCCNC1=C(c2ccc(OC(C)C)cc2)C(=O)N(C2CCCC2)C1=O 1863689957 DKIXOHFOBNZOHV-UHFFFAOYSA-N 426.601 5.446 30 10 IKEE CCCCCCCCNC1=C(c2cc(Cl)ccc2Cl)C(=O)N(Cc2ccco2)C1=O 1863725099 LIXAIUWZDDPJAR-UHFFFAOYSA-N 449.378 5.817 30 10 IKEE CCCCCCCCCCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1865984785 IJEZKGIWNPGSLB-SANMLTNESA-N 429.693 6.317 30 10 IKEE CC[C@H](C(=O)N[C@@H](C(=O)Nc1cccc(C#N)c1)c1ccccc1)c1ccc(Cl)cc1 1866947418 BSBFITQZIQMSSH-XZOQPEGZSA-N 431.923 5.201 30 10 IKEE C[C@H]1CN(c2cc(Nc3ccc(C#N)cc3)nc(C(C)(C)C)n2)C[C@@H](C)N1c1ccccc1 1868356182 UQBQAEZKMSHGKA-BGYRXZFFSA-N 440.595 5.493 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](NC(=O)C[C@H](c1ccc(F)c(C)c1)C(C)C)c1ccccc1 1868713485 IIWXLXIINVMKFH-JYFHCDHNSA-N 436.571 5.322 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3ccccc3[C@@H]2C(C)C)nc(-c2ccccc2C)n1 1869141263 MYHGBKHJAITOMB-NDEPHWFRSA-N 438.619 6.390 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N2C[C@H](C)C[C@@H](C)C2)nn1-c1ccccc1Cl 1870018544 CQHSNGPIBDGHFB-RTBURBONSA-N 446.039 6.092 30 10 IKEE CCCCCCCCCCn1cc(OCCCCCC)c(=O)cc1CSCCO 1870187000 ARQWKTGHYJOILQ-UHFFFAOYSA-N 425.679 6.174 30 10 IKEE C=CCn1cc(OCCOc2cccc3ccccc23)c(=O)cc1CN1CCCCCC1 1870593577 ZXDNYSXGQHNVLE-UHFFFAOYSA-N 432.564 5.021 30 10 IKEE CCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CN1CCC(N(C)C)CC1 1870609751 OBUVFOYNMIBYRT-UHFFFAOYSA-N 431.665 5.080 30 10 IKEE C=CCOc1cn(Cc2ccc(F)cc2)c(CNc2ccc(N(CC)CC)cc2)cc1=O 1870808946 IEDLOHUATPFVPM-UHFFFAOYSA-N 435.543 5.059 30 10 IKEE CCCCCCCOc1cn(Cc2ccncc2)c(CNc2ccc(F)c(F)c2)cc1=O 1870835675 CVPASEVSUCNLEX-UHFFFAOYSA-N 441.522 5.531 30 10 IKEE N#Cc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccc(Cl)c(Cl)c2)n1 1871318156 QHFABHAFBQYIHG-UHFFFAOYSA-N 434.286 5.365 30 10 IKEE CCCCCCCCN1COc2c(cc3c(c2C)O/C(=C\c2cccc(Cl)c2)C3=O)C1 1871355598 PAZIJKPAULJBMD-UCQKPKSFSA-N 439.983 6.777 30 10 IKEE Cc1ccc(C)c(CN2COc3c(cc4c(c3C)O/C(=C\c3ccccc3C)C4=O)C2)c1 1871355637 RNOMTADFMSMDDW-MXAYSNPKSA-N 425.528 5.889 30 10 IKEE C=CCOc1cccc(C(=O)Nc2ccc3oc(-c4ccc(Cl)cc4)cc(=O)c3c2)c1 1871359281 YPEVAYNRHMEJEO-UHFFFAOYSA-N 431.875 5.931 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(F)c(F)c4F)ccc3C2=O)cc1 1871369962 BMQNIYYVDGYHKP-NHDPSOOVSA-N 438.401 6.063 30 10 IKEE Cc1cc(OC(=O)c2cccc([N+](=O)[O-])c2C)cc2c1C(=O)/C(=C/c1ccccc1Cl)O2 1871372513 WJPOFYJOILZSKZ-NHDPSOOVSA-N 449.846 5.700 30 10 IKEE Cc1c(OC(=O)c2c(F)cccc2Cl)ccc2c1O/C(=C\C=C\c1ccccc1)C2=O 1871375459 MNYCAOHVMAIKMD-SJBQCXTDSA-N 434.850 6.179 30 10 IKEE CN(C)c1ccc(/C=C2\Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc3C2=O)cc1 1871376227 AAIIMCALMGQGGF-YUMHPJSZSA-N 449.506 5.670 30 10 IKEE Cc1cc(OC(=O)Cc2ccc(Cl)c(Cl)c2)cc2c1C(=O)/C(=C/c1cccs1)O2 1871376928 LSBNSHBXQZDCPR-ODLFYWEKSA-N 445.323 6.128 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc(OC(=O)c3ccc(OC(C)C)cc3)c2C)C1=O 1871388113 JHKJGFBFDLPWEI-BKUYFWCQSA-N 434.513 5.988 30 10 IKEE Cc1cc(O)c(CN(C)C2CCN(C)CC2)c2c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O2 1871393047 KVLQQDOTWMLWSW-JLPGSUDCSA-N 448.607 5.140 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2)C3=O)cc1Cl 1871402343 TVISVNOYRJDCBX-NSTHGIQOSA-N 447.918 5.979 30 10 IKEE Cc1c(OCCOc2ccc(C(C)(C)C)cc2)ccc2c1O/C(=C\c1ccccc1F)C2=O 1871414508 KVSNDMIKTPGSDE-UQQQWYQISA-N 446.518 6.506 30 10 IKEE COC(=O)c1cccc(COc2ccc3c(c2)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)c1 1871415971 DTSPKQBWHVGZBQ-MYYYXRDXSA-N 442.511 5.966 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc(Cl)c4C)ccc3C2=O)cc1 1871427112 OIQSQSUUWWWTPI-FMCGGJTJSA-N 449.890 5.291 30 10 IKEE CCc1cccc(CC)c1NC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(C)c1)C2=O 1871455199 FXOWWLGTOVMDKG-MYYYXRDXSA-N 441.527 5.754 30 10 IKEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(Nc2ccccc2)cc1)S(=O)(=O)c1ccccc1 1872143745 YFABMPFKCMVFRK-HXUWFJFHSA-N 449.576 5.024 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cccc(Cl)c1)[C@H](C)CC)S(=O)(=O)c1cccs1 1872249277 WTLOMCRDYJMMGS-DNVCBOLYSA-N 441.018 5.022 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(Cc2ccccc2)cc1)S(=O)(=O)CC 1872291309 ZBKBQDXVIVGIFW-XMMPIXPASA-N 442.625 5.003 30 10 IKEE COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc(OC)c1OC 1872759838 AVBUPAUCLKOUGZ-LJQANCHMSA-N 448.544 5.205 30 10 IKEE CCCc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 1872772452 DJLSICPVGGMVIG-QFIPXVFZSA-N 432.589 6.315 30 10 IKEE N#C[C@H](C(=O)c1ccnc(Cl)c1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872779514 LGEIVKUZFBLADQ-LJQANCHMSA-N 431.904 6.141 30 10 IKEE COc1ccc(CC(=O)[C@H](C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1 1872779697 PHASHVXYBBIUBD-NRFANRHFSA-N 434.561 5.678 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(C)cc3)n2)cc1C(C)C 1872780014 XSOQGXKXENHGJN-NEQMZLFVSA-N 430.573 6.449 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC2CC2)=C(c2cccc(Cl)c2Cl)C1=O 1873126597 VCUGBMATSBIZHY-UHFFFAOYSA-N 437.411 5.966 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Cl)c(Cl)c2)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873276415 GHFMBZYPVYPBHZ-UHFFFAOYSA-N 449.337 6.038 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C(C)=O)c2)=C(c2ccccc2C)C1=O 1873305385 ASRVZUHVAHADCH-UHFFFAOYSA-N 432.564 5.750 30 10 IKEE CCCCCCCCNC(=O)c1cc2c(N(C)Cc3ccccc3)ncnc2n1CCCC 1873581131 YXBLCTVSKPJMJT-UHFFFAOYSA-N 449.643 5.958 30 10 IKEE C=CCn1c(C(=O)Nc2cc(C)cc(C)c2)cc2c(NCCc3ccc(F)cc3)ncnc21 1873615659 ATMFJAOVRACNQI-UHFFFAOYSA-N 443.526 5.280 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(OCC)cc2)cc2c(NCc3ccc(C)cc3)ncnc21 1873641579 AXRGGXUZNQNOBW-UHFFFAOYSA-N 441.535 5.189 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)n2C 1873656180 RVMFPVBOHPUWJZ-UHFFFAOYSA-N 449.864 5.071 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCCc2ccccc2)n1/N=C/c1ccncc1 1874300763 RHJGOABEKLWWFV-WPWMEQJKSA-N 443.576 5.086 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2ccccn2)cc1C 1874357783 YZFUAYFQBIEGKQ-JVWAILMASA-N 427.577 5.364 30 10 IKEE C=C(C)CSc1nnc(CCc2cccs2)n1/N=C/c1cccc(Br)c1 1874371703 MOISEUXAGDCRFK-CIAFOILYSA-N 447.427 5.438 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2-c2cccs2)c1 1874420936 MKXHMZPNWINTNQ-ZVHZXABRSA-N 438.553 5.719 30 10 IKEE COc1ccc(OC)c(/C=N/n2c(CC(C)(C)C)nnc2SCc2cccc(C)c2)c1 1874437495 DLFJWSNKGDFTTJ-MFKUBSTISA-N 438.597 5.367 30 10 IKEE Clc1cccc(CSc2nnc(C3CCCC3)n2/N=C/c2cccc3ccccc23)c1 1874457387 NLODCWNWPHBCKA-JVWAILMASA-N 447.007 6.917 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc2c(c1)OCCO2 1874485817 NPXITBDNKGDVAL-ZMOGYAJESA-N 442.972 5.175 30 10 IKEE C=C(C)CSc1nnc(C2CC2)n1/N=C/c1ccc(N(CC)Cc2ccccc2)cc1 1874519108 BPPAEOQYNXRZSM-WGOQTCKBSA-N 431.609 5.732 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CC2)c(O)c1 1874522726 IBJYYBYNAYLDSP-LSFURLLWSA-N 435.336 5.048 30 10 IKEE CCc1ccccc1NC(=O)COc1c(/C=C/C(=O)c2ccc(OC)cc2)cccc1OC 1874575921 NJWSZXXDRWQMOZ-SAPNQHFASA-N 445.515 5.180 30 10 IKEE CCOc1c(Br)cc(Br)cc1/C=C/C(=O)c1cc(C)ccc1C 1874580664 ZVFSTWSAQZCHNT-BQYQJAHWSA-N 438.159 6.123 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1)c1ccc2c(c1)OCO2 1874582726 DIKGCCIXZBGBSR-FPYGCLRLSA-N 427.283 6.197 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc([N+](=O)[O-])c1OCc1ccccc1 1874611423 ITFMJJJRPIATFM-DHZHZOJOSA-N 439.414 5.747 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1C 1874615486 ATWUIEXALKYRAM-XYOKQWHBSA-N 441.354 7.176 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)c1OCC(=O)OCC(C)C 1874617293 UPJQUCFUDZZTDT-CMDGGOBGSA-N 430.928 5.440 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(Cl)c(OCc2ccc(C)cc2)c(OC)c1 1874619939 ASQUIYRBVGHEKS-ZHACJKMWSA-N 436.935 6.449 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OCCc1ccccc1 1874638106 IYALJTFJKZBCKT-XYOKQWHBSA-N 441.354 6.910 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC(=O)C3CCC(CCCC)CC3)c2)cc1 1874695773 QYVKEBFYWVPSOO-LTGZKZEYSA-N 446.631 7.827 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2cccc(/C=C/C(=O)c3cccc(Cl)c3)c2)c1 1874699122 FKLBLLGDGWPTOA-PKNBQFBNSA-N 436.891 5.401 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OC(=O)c1ccc(F)c(F)c1 1874700603 BJZKHIJYDQUSBS-WTDSWWLTSA-N 428.818 5.742 30 10 IKEE CCc1ccc(CCC(=O)Oc2cc(/C=C/C(=O)c3ccc(C)c(C)c3)ccc2OC)cc1 1874713966 XLLVNZZOFYYGRA-RVDMUPIBSA-N 442.555 6.309 30 10 IKEE O=C(COc1ccc(Cl)cc1)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1 1875097141 WXOKJLLUENIBJS-FRKPEAEDSA-N 446.930 6.099 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)c1ccc(C)c([N+](=O)[O-])c1 1875120364 QNOUEONRUCRZRV-FMIVXFBMSA-N 447.443 5.036 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3cc(C)c(Cl)c(C)c3)cc2)c(C)c1 1875131356 TXKOMDVOOGWFHZ-XYOKQWHBSA-N 448.946 6.454 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)cc2)cc1 1875132082 DWLKZWZBHZDJOG-MZPCATCRSA-N 428.528 6.387 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)c(Cl)c3)cc2Cl)cc1 1875135521 VAXWUTCBAQWKAE-ONNFQVAWSA-N 445.729 7.071 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 1875136276 HHLJBYRZBYOKPW-WEVVVXLNSA-N 430.544 6.022 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)ccc1F 1875141196 SEQYLRRXPQHZPC-YIXHJXPBSA-N 439.280 6.012 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)Cc1cc(C)ccc1C 1875176304 BGHUEADETMOCSI-JLHYYAGUSA-N 442.555 6.363 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1C 1875186615 FBTMHBATANBTRG-JLHYYAGUSA-N 431.444 5.336 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)C2CCC2)c(Br)c1 1875192978 MXGNEHDOSRAZLX-VMPITWQZSA-N 449.728 5.713 30 10 IKEE N#Cc1cccnc1OC1CCN(C(=O)CCc2c3ccccc3cc3ccccc23)CC1 1891774846 XZLCSWWBEJEVFW-UHFFFAOYSA-N 435.527 5.262 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(C)C 1922107654 NPQJNTYYBNFWKQ-GOTSBHOMSA-N 432.649 5.703 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCCC2(CCC2)[C@@]1(C#N)N(CC1CC1)C(=O)OC(C)(C)C 1924834200 WJTXFECQWCYXRJ-CLOONOSVSA-N 447.620 5.391 30 10 IKEE CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(CC(C)C)C(=O)OC(C)(C)C 1944819427 IVVYHLASZUAXGO-NTKDMRAZSA-N 437.625 5.445 30 10 IKEE CCCCCCC[C@@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 1947485706 UCAIPTVMTWXQPZ-ZEQRLZLVSA-N 434.665 6.215 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C1 1949184696 NIPHBASNXPNACJ-XMMPIXPASA-N 427.545 5.111 30 10 IKEE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 1949706306 GISKRVSFYVXUBL-NHCUHLMSSA-N 425.617 5.607 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(C)C 2004154627 GMKDYDCBTVQGNF-SGNDLWITSA-N 430.633 5.267 30 10 IKEE C[C@@H]1CC=C(C(=O)CC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)CC1 2010600163 KKTWOYMFXNGPQO-HXUWFJFHSA-N 426.601 5.252 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@](C)(C#N)C1CCSCC1 2029441605 ZLPCYLRQQXKVQK-LJQANCHMSA-N 425.392 5.616 30 10 IKEE N#CCCn1cc(C=CC(=O)N2CCCC[C@H]2c2nc3ccccc3s2)c2ccccc21 2040482347 NWRWOYNTZGUVHM-QHCPKHFHSA-N 440.572 5.932 30 10 IKEE C=CCn1c2ccccc2n2nc(C)c(C(=O)C=Cc3cc(Cl)c(O)c(OCC)c3)c12 2040488563 UIVYHMNIJIOCNH-UHFFFAOYSA-N 435.911 5.437 30 10 IKEE O=C(C=Cc1ccnn1-c1ncc(C(F)(F)F)cc1Cl)c1ccc(Cl)c(Cl)c1 2040744286 XGFYJBGRDYSNLL-UHFFFAOYSA-N 446.643 6.142 30 10 IKEE CCOc1ccc(C=C2CCCC3=C2NC(=NC#N)N[C@H]3c2ccc(OCC)cc2)cc1 2059864816 BEZXDBIQEFJLTC-DEOSSOPVSA-N 428.536 5.077 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2070600209 ADSXIZCHILZCPV-BXKMTCNYSA-N 447.551 5.497 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@]1(C)CCCN1C(=O)OC(C)(C)C 2076987154 SNQBQPDKIIKCRI-DVECYGJZSA-N 445.560 5.118 30 10 IKEE Cc1ccc([C@H](C(C)C)n2nc(C(C)(C)C)c(C#N)c2I)cc1F 2078977753 NYAHSZBOLHBYCX-INIZCTEOSA-N 439.316 5.350 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@@H](C(C)C)N(Cc2ccccc2)C1 2090226029 FMKASGHDSIOHFG-WNCULLNHSA-N 449.595 5.630 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(Cl)cccc1Br 2102881387 ZOJPJJIOUNPNQA-SJLPKXTDSA-N 443.813 5.450 30 10 IKEE C=C(F)C[C@@H](NCCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2126111256 PQKZDCAMTDXOTL-QZTJIDSGSA-N 429.374 5.126 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NC)c2c(Cl)ccc(Br)c2F)C1 2126626478 VMEFHAKEHCFXSH-MRXNPFEDSA-N 447.776 5.363 30 10 IKEE CC(C)C1CCC(C#N)(c2ncc(I)cc2Br)CC1 2133375677 SNIDSQINPHLIAO-UHFFFAOYSA-N 433.131 5.056 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](CNc1ccc(C#N)c(Br)c1F)C2 2162288515 STSRCWFPMXKTFS-YOWGUQMCSA-N 438.341 5.050 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](CNc2ccc(C#N)c(Br)c2)(C(C)(C)C)C1 2162291961 SOMHORBMOIQQHB-OAQYLSRUSA-N 436.394 5.406 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](CNc2cc(Br)cc(C#N)c2)CC12CCC2 2176864057 YHHJHUFNFSGWDH-OAHLLOKOSA-N 434.378 5.302 30 10 IKEE CO[C@@]1(C)C[C@H]2C[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2185280951 BCYKYHBRSFRDEJ-XSRQCEPYSA-N 435.362 5.288 30 10 IKEE CCCCC#CC[C@H](NCCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2203808989 BOWMONNUUQLFKA-IBGZPJMESA-N 437.422 6.421 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H](Nc2cc(Br)ccc2C#N)C12CCCC2 2204293312 KRVCNQUWPQTNEX-GOSISDBHSA-N 434.378 5.445 30 10 IKEE Cc1sc([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)c(Br)c1C 2221774448 QDUOSUYNHVLLJY-HNNXBMFYSA-N 427.408 6.262 30 10 IKEE C=CC[C@@](C)(C(F)F)n1c(S)nc2cc(Br)c(Br)cc21 2233959682 OZWGBWLUJJJMIK-ZDUSSCGKSA-N 426.124 5.406 30 10 IKEE O=C(OCc1ccccc1)N(CC(F)(F)F)[C@@H](CO)c1ccc(F)cc1C(F)(F)F 2235300604 GHTRVTHSKNSUFO-INIZCTEOSA-N 439.327 5.079 30 10 IKEE C=C(CC)C[C@H](NCCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237414344 WGHRMOKSPNBRSZ-VQTJNVASSA-N 439.438 5.609 30 10 IKEE C=CCCN(Cc1ccccc1)C(=O)c1cc(Cl)c(C)cc1B1OC(C)(C)C(C)(C)O1 2255544668 CTCIBQSJWCQAEC-UHFFFAOYSA-N 439.792 5.166 30 10 IKEE N[C@@H](C#Cc1cccc(Br)c1)c1scc(Br)c1Br 2264127484 MKKGXXLOTNPEPN-NSHDSACASA-N 449.993 5.087 30 10 IKEE C=CCCC1([C@H](N)c2ccc(Br)c(Cl)c2F)CN(C(=O)OC(C)(C)C)C1 2266307485 IQJMWGLKEMNGBL-MRXNPFEDSA-N 447.776 5.445 30 10 IKEE C[C@H](N(Cc1ccccc1)c1ccc([N+](=O)[O-])c(B2OC(C)(C)C(C)(C)O2)c1)C(C)(C)C 2267779315 QYYLGTZRZCACFI-SFHVURJKSA-N 438.377 5.335 30 10 IKEE CC(C)(C)OC(=O)NCc1c(Cl)cccc1Nc1ccc(C#N)cc1Br 2268620654 JTAALEYUCNREER-UHFFFAOYSA-N 436.737 5.742 30 10 IKEE CC1(C)OB(c2ccc(C(=O)Nc3cc(Cl)c(Cl)cc3Cl)s2)OC1(C)C 2282624622 XXCBBUMKPIZFDB-UHFFFAOYSA-N 432.565 5.260 30 10 IKEE CC(C)(C)OC(=O)NC1(c2ccccc2Nc2c(Br)cccc2C#N)CC1 2285190168 PKBSNBUATHVMFE-UHFFFAOYSA-N 428.330 5.578 30 10 IKEE Cc1ccc([C@@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2c2cccc(Br)c2)cc1 2296154669 SQPCACGGUYLTEZ-OAQYLSRUSA-N 448.316 5.384 30 10 IKEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H](C)CCC[C@@H](C)NC(=O)OC(C)(C)C 2296216004 GOGFMKUNASAKHD-SQGPQFPESA-N 437.422 5.108 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)c1cc(Br)c(Cl)s1 2296310783 NTVXYDLRDRNWJB-CYBMUJFWSA-N 433.596 5.629 30 10 IKEE CC(C)CN(Cc1c(O)ccc2c1OC(=Cc1cn(C)c3ccccc13)C2=O)CC(C)C 2296601192 FTSBTGHEAVTOLG-UHFFFAOYSA-N 432.564 5.614 30 10 IKEE COc1ccc(C(=O)Oc2ccc(Cl)cc2C(=O)C=Cc2ccc(F)cc2)cc1OC 2296797809 DZTWEIHZRTZXPD-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE C[C@H]1Oc2ccccc2C=C1C=C1Oc2cc(OC(=O)c3ccccc3Cl)ccc2C1=O 2296868452 FRBVDOPMDIZHET-OAHLLOKOSA-N 444.870 5.883 30 10 IKEE Cc1ccc(CN2c3ccsc3C(=O)C(=CNc3cccc(C)c3C)S2(=O)=O)cc1 2297378516 YUSCFJWLMMCVHY-UHFFFAOYSA-N 438.574 5.160 30 10 IKEE COc1ccc(C=C2Oc3c(ccc4c3[C@@H](c3ccc(SC)cc3)CC(=O)O4)C2=O)cc1 2297596236 AEHDUFYLQRGKTI-HXUWFJFHSA-N 444.508 5.474 30 10 IKEE CCCCCCCCC=CCCCCCCCC(=O)N[C@H](CO)Cc1ccc(O)cc1 2297616095 ICDMLAQPOAVWNH-VWLOTQADSA-N 431.661 6.449 30 10 IKEE CC(C)(C)OC(=O)NC1([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)CCCC1 2302600507 IJKJMLUIEPMAPA-GOSISDBHSA-N 433.524 5.297 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1ccccc1)C2=O)c1ccc(Br)cc1 2314438519 VYBLWICTVSVRNF-UHFFFAOYSA-N 435.273 5.327 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NC)c1cc(Cl)cc(Br)c1F 2315466212 TZPNKHLTMBKBHC-GDBMZVCRSA-N 435.765 5.362 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C2CC2)cc1 2320868013 TUJFYAOFHCKRKR-UHFFFAOYSA-N 447.391 6.036 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C2CC2)cc1 2320892282 ORHYOLPDRXXLHJ-UHFFFAOYSA-N 447.391 6.036 30 10 IKEE Cc1ccc(COc2ccc(C=Nn3c(S)nnc3[C@@H](C)c3ccccc3)cc2)cc1 2321962128 QISFROOAMIHQIX-IBGZPJMESA-N 428.561 5.488 30 10 IKEE O=C1C(=Cc2ccc(-c3ccccc3)cc2)Oc2c1ccc1c2CN(Cc2ccncc2)CO1 2321979028 SQWDNDKBSIXPTQ-UHFFFAOYSA-N 446.506 5.717 30 10 IKEE CCOc1ccc(Cc2nnc(S)n2N=Cc2ccccc2OCc2ccccc2)cc1 2322083233 OLOKINMXRZLCLV-UHFFFAOYSA-N 444.560 5.018 30 10 IKEE COc1ccc(C=C2Oc3c(ccc4c3CN([C@@H](C)c3ccc(OC)cc3)CO4)C2=O)cc1 2322238766 JMXSGSGVXFIZKH-KRWDZBQOSA-N 443.499 5.233 30 10 IKEE CCc1ccc([C@H](C)N2COc3cc(C)c4c(c3C2)OC(=Cc2ccccc2)C4=O)cc1 2322260197 TZEPWDVTVKXIDT-IBGZPJMESA-N 425.528 6.087 30 10 IKEE CCn1cc(C=C2Oc3c(cc4c(c3C)OCN(CCOC(C)C)C4)C2=O)c2ccccc21 2322327942 TTYUWCBPVGYPBB-UHFFFAOYSA-N 446.547 5.163 30 10 IKEE CCCCCCN1COc2c(cc3c(c2C)OC(=Cc2ccc(Cl)c(Cl)c2)C3=O)C1 2322368871 PPSULAOASIIMPP-UHFFFAOYSA-N 446.374 6.650 30 10 IKEE Cc1cc(OC(=O)c2ccc(C(C)(C)C)cc2)cc2c1C(=O)C(=Cc1cccc(F)c1)O2 2322736694 GBGBSQAWZXBHHG-UHFFFAOYSA-N 430.475 6.267 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc3C2=O)cc1 2322894826 YRYYYIQVJFLTKE-UHFFFAOYSA-N 446.930 6.402 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2c(C)cccc2C)c(OC)c1 2322901559 NQPBPICNOGKGSK-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1OCc1cccc(C)c1 2323044087 NNHXADAQHRJYFX-UHFFFAOYSA-N 434.535 7.146 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc3C2=O)o1 2323088000 HTKTWGSYECGOGW-UHFFFAOYSA-N 445.254 5.495 30 10 IKEE O=C(CCCOc1ccccc1)Oc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O 2323177818 UIQQBIPGWXMYON-UHFFFAOYSA-N 426.468 5.624 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(C)cc1 2323791547 VQTLTZOBPUUDJI-UHFFFAOYSA-N 441.354 7.176 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2sccc2C)C3=O)c1 2323896079 KCILDYZXOMZHQL-UHFFFAOYSA-N 448.496 5.516 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)cc1 2323937435 MYEBWBWMSCRBAX-UHFFFAOYSA-N 445.515 5.398 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(OC)c1OCc1ccc(F)cc1 2324172939 SWAUQEBFLLLTMQ-UHFFFAOYSA-N 444.546 7.161 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(O[C@H](C)C(=O)Nc3ccc(F)cc3)c2C)C1=O 2324319292 KPBXYPIFDFMPRD-OAHLLOKOSA-N 437.492 5.526 30 10 IKEE COc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1 2324794652 CHBHQVGBHJKTHW-QFIPXVFZSA-N 430.573 6.314 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1OC(=O)c1ccccc1Cl 2325700957 PHHRNRUAMOXWBC-UHFFFAOYSA-N 446.930 6.343 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1cccc(C=CC(=O)c2ccc(Cl)cc2)c1 2325730216 RJYHSFROWIJEOT-UHFFFAOYSA-N 426.899 6.537 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2c(F)cccc2Cl)c1)c1ccc(Cl)c(Cl)c1 2325737439 ZIJOMEZIQBWBNO-UHFFFAOYSA-N 449.692 6.901 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)COCc3ccccc3)c2)cc1C 2325771486 JGJZQGQNLYOCFZ-UHFFFAOYSA-N 430.500 5.330 30 10 IKEE CCCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1N=Cc1ccc(CC)cc1 2326878726 KAPFFPRITNFHFS-UHFFFAOYSA-N 440.569 5.126 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2C)n1N=Cc1ccc(C(C)C)cc1 2327117246 CPRWJTRSAGEWTJ-UHFFFAOYSA-N 436.625 6.106 30 10 IKEE CCCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1c(F)cccc1Cl 2327300210 OSSGRJQAZZNFDV-UHFFFAOYSA-N 446.979 5.959 30 10 IKEE CCCc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2cccs2)cc1 2327365962 PZYCEGYGLNQGKV-UHFFFAOYSA-N 448.617 6.046 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccc(C)cc3)n2N=Cc2ccccn2)cc1 2328562398 ZSCGXUDOLIVGJJ-UHFFFAOYSA-N 443.576 5.146 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2ccco2)cc1 2328563389 NTZZQSDQYKQCKO-UHFFFAOYSA-N 432.549 5.344 30 10 IKEE Cc1ccc(CSc2nnc(CCCOc3ccccc3)n2N=Cc2ccco2)cc1 2328711807 PUQLGFODAGKNED-UHFFFAOYSA-N 432.549 5.366 30 10 IKEE Cc1ccsc1C=Nn1c(COc2ccccc2)nnc1SCc1cccc(F)c1 2329898481 SOINQODZRZZQHX-UHFFFAOYSA-N 438.553 5.541 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2sccc2C)cc1 2330004383 ZNEQIWYORBXBFV-UHFFFAOYSA-N 432.618 5.764 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCCc2ccccc2)n1N=Cc1cccc(F)c1 2330111047 MRMVIFHMUVMIBK-IBGZPJMESA-N 430.552 5.786 30 10 IKEE Cc1ccc(O)c(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2F)c1 2330492138 WIBLEIGDNDUMNE-UHFFFAOYSA-N 432.524 5.197 30 10 IKEE Fc1ccc(CSc2nnc(-c3cccs3)n2N=Cc2ccccc2Cl)cc1 2330540801 AMNGLILXKIFCCY-UHFFFAOYSA-N 428.945 5.974 30 10 IKEE C=C(C)CSc1nnc(-c2cccs2)n1N=Cc1cc(Br)ccc1F 2330578323 IRQYNZNQADHDPH-UHFFFAOYSA-N 437.363 5.459 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(Cl)c1OC(=O)C1CCCC1 2330651612 YREPFOZFTNXSNK-UHFFFAOYSA-N 434.919 6.494 30 10 IKEE COc1ccc(OC)c(C=Nn2c(SCc3ccccc3)nnc2-c2ccccc2)c1 2330670972 IAFUZQJSRFPHJH-UHFFFAOYSA-N 430.533 5.137 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2-c2ccccc2)cc1 2330692749 QQKCOOPRZQBCHT-UHFFFAOYSA-N 448.979 6.172 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Br)cc2)ccc1OC(=O)C(F)(F)F 2330893017 GBMOCFSVUXINRN-UHFFFAOYSA-N 443.215 5.212 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc([C@@H]2CCCO2)n1N=Cc1ccncc1 2330975476 PCONSABOUGUDRS-KRWDZBQOSA-N 434.352 5.006 30 10 IKEE CN(C)c1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2[C@H]2CCCO2)cc1 2330999142 GUFFPASPBJXKCN-HXUWFJFHSA-N 441.988 5.024 30 10 IKEE CC(C)(C)CC(=O)Oc1ccc(C=CC(=O)c2cccc(Br)c2)cc1Cl 2331002450 RRMQVANEVFOKBJ-UHFFFAOYSA-N 435.745 6.340 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2C2CCCC2)cc1 2331031634 HTCGHMMQKYGZKM-UHFFFAOYSA-N 436.600 6.547 30 10 IKEE FC(F)(F)c1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccccc1 2331149563 AZSYFYUBIGQLGE-UHFFFAOYSA-N 431.270 5.778 30 10 IKEE COc1cc(C=Nn2c(CC(C)C)nnc2SC)ccc1OCc1ccc(Cl)cc1 2331417590 BQAHNXYVQOVNMM-UHFFFAOYSA-N 444.988 5.322 30 10 IKEE COc1cccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C(C)(C)C)c1O 2331417801 QICZBIWGDOYKDG-UHFFFAOYSA-N 448.951 5.257 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CC)c(OCC)c2)cc1 2331543855 HASPEXHJRPYLCK-UHFFFAOYSA-N 438.564 6.646 30 10 IKEE CCCCCCCC[C@@H](NCCC)c1sc(Cl)cc1I 2363956758 DNHXCMUUNYULSD-CQSZACIVSA-N 427.823 6.797 30 10 IKEE CC1(C)OB(c2ccc(NCc3cccc(OCc4ccccc4)c3)c(C#N)c2)OC1(C)C 2364927027 DZCPGMGVXJPUET-UHFFFAOYSA-N 440.352 5.049 30 10 IKEE O=C(C#Cc1ccnn1C1CC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2367815359 DVIMEQOESMDATP-UHFFFAOYSA-N 448.522 5.610 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H](Nc2cccc(Br)c2C#N)[C@@H]1C(F)(F)F 2370171937 HNOJCZUETCLNEN-HUUCEWRRSA-N 448.283 5.063 30 10 IKEE O=C1CCCC2=C1[C@@H](/C=C/c1ccccc1)n1nc(SCc3ccccc3Cl)nc1N2 1283482 GBRGSDZGDPAQHL-FBRRREGBSA-N 448.979 5.911 30 10 IKEE Oc1c(Br)cc(Br)cc1/C=N\c1ccc(-c2ccccc2)cc1 1881129 MXNZTPXOSIYLBG-UUYOSTAYSA-N 431.127 6.335 30 10 IKEE O=C1/C(=C\c2ccc(-c3ccccc3)cc2)CCC/C1=C\c1ccc(-c2ccccc2)cc1 3177718 MXKYVDMQCYMRGK-KURJDURESA-N 426.559 8.241 30 10 IKEE CCCCCCCSc1nnc2c(n1)O[C@@H](c1ccc(N(C)C)cc1)Nc1ccccc1-2 3655233 SCFHWZBBYMSUMU-QHCPKHFHSA-N 449.624 6.170 30 10 IKEE C=C(C)COc1cccc(NC(=S)NC(=O)c2ccc(OCCCCCC)cc2)c1 9697469 POGLSDCBGIBIGQ-UHFFFAOYSA-N 426.582 5.727 30 10 IKEE COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccs2)c1 21243287 SMQIPNMZWQUPAQ-BZQUYTCOSA-N 432.545 5.745 30 10 IKEE CCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)cc1 21246732 WTJVUYYHLNYZPH-DNOBIOAJSA-N 444.962 6.718 30 10 IKEE Cc1ccc(C(=O)On2c(-c3ccc(C(C)(C)C)cc3)nc3ccccc3c2=O)cc1C 27527703 BCSJGRUNWYCJBG-UHFFFAOYSA-N 426.516 5.247 30 10 IKEE Cc1cc(Cl)ccc1NC(=O)CSc1nc(O)c(C#N)c(-c2ccc(Cl)cc2)n1 28616580 NIGSAXDLWWYHBU-UHFFFAOYSA-N 445.331 5.067 30 10 IKEE N#Cc1c(/C=C\c2ccccc2Cl)cc(-c2cccc(Cl)c2)n2c1nc1ccccc12 33523953 BSPGTYAIIZHGJS-SEYXRHQNSA-N 440.333 7.503 30 10 IKEE C[C@H]1Oc2ccccc2C=C1/C=C1/Oc2cc(OCc3ccccc3Cl)ccc2C1=O 33532092 QGGSZYAFSHPLCU-IXBOPPFXSA-N 430.887 6.243 30 10 IKEE O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(-c2ccccc2)cc1 33907358 YLRDWQFHZSNJRS-ZCXUNETKSA-N 432.548 7.164 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)S/C1=N/c1nnc(C)s1 39866323 NOLFXQXHTDVPIV-SYFXMVHNSA-N 442.953 5.550 30 10 IKEE C=CCOc1cccc([C@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCCCC)c1 40513348 RLZLXMIVYUDWGL-DEOSSOPVSA-N 431.532 5.710 30 10 IKEE CCCN(CCC)Cc1c(O)cc(C)c2c1O/C(=C\c1cn(CC)c3ccccc13)C2=O 41584464 WVYCMURHHVRXPW-IWIPYMOSSA-N 432.564 5.913 30 10 IKEE COc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(CCc3ccc(F)cc3)C4)C2=O)cc1 41587475 IOCUZEOKBNBMDX-CFRMEGHHSA-N 445.490 5.154 30 10 IKEE O=C1C[C@@H](c2ccccc2Cl)CC2=C1[C@H]1c3ccccc3C(=O)N1c1ccccc1N2 58866555 VICLPBTVNZPSRU-ODCWNRFASA-N 426.903 5.868 30 10 IKEE CCCCCCCCCCCCCCCCNCc1cccc(OC)c1OCCC(C)C 100125396 POJLCXDCYMJSQG-UHFFFAOYSA-N 447.748 8.691 30 10 IKEE O=C(Nc1ccccc1)[C@@H]1CC(=O)N(Cc2ccc(Cl)cc2)/C(=N/c2ccccc2)S1 100400470 WTJVRPJRYKCSIW-AQTDBHCXSA-N 449.963 5.501 30 10 IKEE O=C(O)c1ccc(Cl)c(/N=C/c2cc(Br)cc(Br)c2O)c1 101055228 NBINDRVGWLWOKJ-NGYBGAFCSA-N 433.483 5.019 30 10 IKEE O=C1/C(=N\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2N1Cc1ccccc1 105877920 CKGJZJREDJNKSD-COEJQBHMSA-N 448.366 6.392 30 10 IKEE CSc1nnc(Cc2ccccc2)n1/N=C\c1ccccc1OCc1ccc(C)cc1 169916054 DPODAAOMWKTYPR-ONUIUJJFSA-N 428.561 5.360 30 10 IKEE CCCOc1c(Cl)cc(/C=N\Nc2nc(-c3cccs3)c(C)s2)cc1OCC 169941913 QGVGFCOGBHHCQQ-UUYOSTAYSA-N 436.002 6.467 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@H]2c2cccnc2)cc1C 170009587 BAGPWLQTQBPEIE-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccccc1F)c1c[nH]c2ccccc12 170070700 QIMRJBFIGIUDGV-QFIPXVFZSA-N 446.865 5.743 30 10 IKEE Cn1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccccc2)c2ccccc21 170083949 DJKBVGOQROHNCK-VWLOTQADSA-N 448.478 5.707 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccc(C)o2)cc1 170101405 CQMQPDBPFLPLIT-NRFANRHFSA-N 437.879 5.423 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(O)cc2)c1 170131202 IPJTWJACLLJSAS-QHCPKHFHSA-N 447.462 5.103 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C(C)(C)C)ccc3C)[C@H]2c2cccnc2)cc1 170189365 AHEFNJLOSQHWOX-XMMPIXPASA-N 440.543 5.779 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C2CCCC2)c1 170218727 JHQZNULRXZOWAC-VWLOTQADSA-N 441.527 5.759 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(Cl)c3)[C@@H]2c2ccccc2)cc1 170224295 AUMFOGXGIOYKHP-QHCPKHFHSA-N 447.918 5.694 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccccc2)cc1 170226895 PEXCPCTUEVNBCS-QHCPKHFHSA-N 447.918 5.910 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(F)cc2)ccc1F 170237379 JZEYRPBBLKHBLK-HXUWFJFHSA-N 425.456 5.113 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 170238624 LLPLOLOCGDINPG-JOCHJYFZSA-N 435.426 5.065 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1ccc(F)cc1 170243921 PTEODHIEXTXSGR-HSZRJFAPSA-N 439.527 5.690 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)c(OC)cc3C)[C@@H]2c2ccc(C)o2)cc1 170300881 HISWGFQFCIDJRQ-DEOSSOPVSA-N 445.515 5.559 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccc(C)o2)cc1 170306206 XZQMXIOYNRQGAQ-NRFANRHFSA-N 439.414 5.048 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@@H]1c1c(C)[nH]c2ccccc12 170312002 NRFFYYQGYCTDEK-DEOSSOPVSA-N 446.547 5.562 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)=C(O)C(=O)N1c1ccc(F)cc1 170314061 QBWGTSIKUBEDGH-SPLOXXLWSA-N 449.503 5.302 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1cccc2ccccc12)c1ccccc1 170369519 WMRJZTVIHHQPBM-XMMPIXPASA-N 441.433 5.901 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Oc3ccccc3)cc2)[C@H]1c1ccco1)c1cccs1 170400718 WEPDPKIBRSGBOT-QFIPXVFZSA-N 443.480 5.916 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(Cl)cc2C)ccc1O 170465094 BMIAQWVOEFEFKX-JOCHJYFZSA-N 443.927 5.268 30 10 IKEE Cc1cccc(Oc2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3cccnc3)cc2)c1 170481350 RBQBNLPUXLISNU-QHCPKHFHSA-N 428.488 5.307 30 10 IKEE COc1ccc(N=C2S/C(=C/c3ccc(N(C)C)cc3)C(=O)N2c2ccccc2)cc1 252610860 IEXXONXICYJMNB-SUOSWRNOSA-N 429.545 5.570 30 10 IKEE CCc1ccccc1N=C1S/C(=C\c2ccc3c(c2)OCO3)C(=O)N1C1CCCCC1 252628269 SMEIBFKIOWIDLV-ARKVWGHASA-N 434.561 5.914 30 10 IKEE Cc1ccccc1N=C1S/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N1c1ccccc1C 252638010 XYNRMYPDJUIFHA-LAJNNLEESA-N 429.501 6.020 30 10 IKEE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)OCCCCCC 253578168 XZWRDVUQSTVQSU-UHFFFAOYSA-N 438.597 5.445 30 10 IKEE C=CCn1c(-c2ccccc2)csc1=Nc1ccc(-c2nnc3n2CCCCC3)cc1 254411367 MDIWFEWMDKODDJ-UHFFFAOYSA-N 427.577 5.620 30 10 IKEE CCN(CC)c1ccc(N=C2C(c3ccccc3)=Nn3c2nnc3-c2ccccc2)c(C)c1 254504999 MLTBAGXUXZANGK-UHFFFAOYSA-N 434.547 5.487 30 10 IKEE CCCCC1CCC(c2nc(C#N)c(NN=Cc3ccc(OCC)c(OCC)c3)o2)CC1 254742365 WFNUNUCZAOCTER-UHFFFAOYSA-N 438.572 6.254 30 10 IKEE C[C@H]1CCc2c(sc(N=Cc3cc(Br)c(Br)s3)c2C#N)C1 254836211 QLMADRXMNAORFG-QMMMGPOBSA-N 444.217 6.082 30 10 IKEE C=C(COC(C)C)[C@@H](NCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 407104744 AVZJQDRKSOAMAK-GOSISDBHSA-N 427.383 5.428 30 10 IKEE C=C(COCC)[C@H](NCCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 407160129 OQAQQSYSSSCZCB-SFHVURJKSA-N 427.383 5.430 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(Nc2cccc(C#N)c2)=C(SCc2ccco2)C1=O 526666748 SVSLKEFFCWMTIB-UHFFFAOYSA-N 449.919 5.243 30 10 IKEE Cc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1cc(Cl)c(O)c(Cl)c1 526805094 FENVGKHIZPJVKR-MYKKPKGFSA-N 449.407 6.071 30 10 IKEE CCn1cc(/C=N\n2c(C)nnc2SCc2ccc(Cl)c(Cl)c2)c2ccccc21 526815263 WDGICOWYRPUEMT-MYKKPKGFSA-N 444.391 6.042 30 10 IKEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 586706933 CFMOKJDNHMCRMW-UHFFFAOYSA-N 437.849 5.817 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@H](C#N)c1ccc(Br)cc1Cl 698817972 JCAZVUVOOXGZLV-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2ccc(Br)c(Cl)c2)cc1 698852785 SGGXYBFWJCVADF-SFHVURJKSA-N 435.749 6.417 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2[C@@](C)(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 698908355 HQKIKUWECPMTJW-LCRZVWJLSA-N 447.601 5.023 30 10 IKEE Cc1ccc(N=C2NC(=O)/C(=C\c3cc(Br)c(N4CCCC4)o3)S2)c(C)c1 1083911194 KUXKWDDZDNSLDX-GZTJUZNOSA-N 446.370 5.151 30 10 IKEE COc1cccc(C=Nc2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c1OC(C)C 1084287829 GXTRZTBMIGSUOT-UHFFFAOYSA-N 448.588 6.426 30 10 IKEE CCCCSc1ccccc1NC(=O)CSc1n[nH]c(NN=C(C)CCCC)n1 1084411653 YGNNIQVJEDWAFM-UHFFFAOYSA-N 434.635 5.406 30 10 IKEE COCc1cc(C)nc(NN=Cc2ccc(OCc3cccc4ccccc34)cc2)c1C#N 1084480719 UVGXEIAPIJEBDP-UHFFFAOYSA-N 436.515 5.586 30 10 IKEE CCCCOC(=O)c1ccc(N=Cc2ccccc2OCc2ccc(C(=O)O)cc2)cc1 1084616717 BSIVTOYBEQFZOB-UHFFFAOYSA-N 431.488 5.671 30 10 IKEE COc1ccc(/C=C2/SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)c(OC)c1 1565518668 VIRQWYGGWLVQLB-ZQXLJOGCSA-N 430.529 5.508 30 10 IKEE N#CCc1cc(-c2ccccc2OC(F)(F)F)ncc1-c1ccccc1OC(F)(F)F 1848361730 GYBQEBFUMCCXBS-UHFFFAOYSA-N 438.327 6.279 30 10 IKEE CCCCCCCCCNC(=O)CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12 1860166762 HXWZSYUJSRWDJZ-RUZDIDTESA-N 447.579 5.058 30 10 IKEE N#Cc1cccc(C(=O)N2CCC(c3ccc(OC(=O)c4cc(F)ccc4F)cc3)CC2)c1 1860706982 RBGKUNVTERCWOD-UHFFFAOYSA-N 446.453 5.075 30 10 IKEE Cc1ccc(-c2csc(SCC(=O)Nc3sc4c(c3C#N)CCC4)n2)cc1C 1860797654 UCGBDVHVLCPMGY-UHFFFAOYSA-N 425.604 5.580 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](C)NC(=O)COc1cc(Cl)ccc1Cl 1861646937 XLUIBHFWDSOMNW-INIZCTEOSA-N 431.404 5.134 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(C)cc2)cc1 1862390199 XUJJPOUGRVZMAS-VWLOTQADSA-N 440.543 5.511 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc(CC)cc2)cc1 1862390439 CYYPTBDURSFPJH-VWLOTQADSA-N 433.592 6.216 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(C(C)C)cc2)cc1C 1862406970 COKKXDWKNCQVKT-RUZDIDTESA-N 447.575 6.038 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(N(CC)CC)cc1 1862438427 BGJOSSMOGZBULS-JOCHJYFZSA-N 440.971 5.565 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(C(C)(C)C)cc1 1862461384 DINSSFRDAZUQER-ASSNKEHSSA-N 445.481 5.778 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 1862481197 ZCXPMNNFAPIGQF-XMMPIXPASA-N 440.543 5.466 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)c1 1862493338 NDENRNLFOJQMQM-HFRGRHLUSA-N 447.575 5.859 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 1862494037 DMQPWTHLDGOCGT-XMMPIXPASA-N 449.591 5.342 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(Cl)cc1Cl 1862498574 LIHGNDZLKKTIIE-NRFANRHFSA-N 446.374 6.379 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2cccc(F)c2)cc1 1862530133 NPOIEZDFFKHYEF-QHCPKHFHSA-N 433.454 5.306 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1Cc1ccccc1 1862543952 SGVJWTKUDIRBNV-AREMUKBSSA-N 437.539 5.652 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(N(C)C)cc1 1862558978 DYCFGNNFVVAVEN-XUZZJYLKSA-N 449.595 5.272 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1cccc2ccccc12 1862560548 FYRJAXMBYAIORT-HFJWLAOPSA-N 448.522 5.762 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(CC)cc1 1862590786 PXZXBAWSIIWLGR-XUZZJYLKSA-N 435.564 5.892 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862592590 GEZGVUDUEXYYRM-DEOSSOPVSA-N 447.575 5.991 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2C2CCCCCC2)cc1 1862605281 QDPTTYUSVKBBJA-XMMPIXPASA-N 447.531 5.067 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccccc2)cc1 1862661256 VHBAOEIYVNKUAO-UQBPGWFLSA-N 425.528 6.150 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(OCCC)cc1 1862716947 RZJBUVFIOXPVKO-XMMPIXPASA-N 427.500 5.393 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccc(OCC)c1 1862726660 MBVKZZWVONJMCI-RUZDIDTESA-N 439.511 5.517 30 10 IKEE Cc1cc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cccc(Cl)c3)C2=O)ccc1F 1863088314 BXIIOSHEGZIHBK-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C)c(Cl)c2)=C(c2ccc(F)cc2)C1=O 1863143711 QXJNBVBHZOGWED-UHFFFAOYSA-N 442.962 6.340 30 10 IKEE CC[C@](C)(NC(=O)[C@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866994026 FXAYMMWTGSQDPT-REWPJTCUSA-N 446.378 5.528 30 10 IKEE CC(C)[C@H]1c2[nH]cnc2CCN1c1cc(Nc2ccccc2C#N)nc(Cc2ccccc2)n1 1868216132 RYUMZYVYPCTQQX-MHZLTWQESA-N 449.562 5.166 30 10 IKEE COCCc1nc(Nc2ccc(C#N)cc2)cc(N2CCc3ccccc3[C@H]2C(C)C)n1 1868265671 MLPCAFKULVHOMP-AREMUKBSSA-N 427.552 5.041 30 10 IKEE C=CCN(CC=C)c1cc(N2C[C@H](C)Cc3cc(OC)ccc32)nc(-c2ccccc2)n1 1869208411 PDYVBSVFHKUCBM-HXUWFJFHSA-N 426.564 5.661 30 10 IKEE CCCCCCCOc1cn(CCc2cnc[nH]2)c(CSc2ccc(C)cc2)cc1=O 1870251915 WRINGCDRNQWALO-UHFFFAOYSA-N 439.625 5.764 30 10 IKEE CCCCCCCCCCn1cc(OCC(C)C)c(=O)cc1CSc1nccn1C 1870260414 NVYPOZPXXDZDOO-UHFFFAOYSA-N 433.662 6.050 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc3ccccc23)cn1CCC(C)C 1870486631 TXXHBUUXLLMOFC-UHFFFAOYSA-N 430.592 5.801 30 10 IKEE C=CCOc1cn(CCC2=CCCCC2)c(CNc2ccc(Br)cc2)cc1=O 1870813495 NNYAYAJYQCUREB-UHFFFAOYSA-N 443.385 5.678 30 10 IKEE CCCCCCCOc1cn(CCCn2ccnc2)c(CNc2ccc(C)cc2)cc1=O 1870839287 GDUGDGLITOXEBR-UHFFFAOYSA-N 436.600 5.405 30 10 IKEE Cc1c(OC(=O)C(Cl)(Cl)Cl)ccc2c1O/C(=C\c1ccccc1Cl)C2=O 1871365870 IFXBDMLSVHZFIC-ZSOIEALJSA-N 432.086 5.540 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2C)C3=O)c1 1871412287 QJUYPYBSZIBLME-FQOPDIHJSA-N 441.527 5.942 30 10 IKEE COC(=O)c1cccc(COc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)c1 1871415977 FBSPQLQUUMPZJB-QFEZKATASA-N 428.484 5.792 30 10 IKEE CC(=O)c1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2)C3=O)cc1 1871448184 HSNWLIMRSKUIHY-SMNNTEATSA-N 441.483 5.220 30 10 IKEE Cc1cccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)c1C 1871458924 GJHFYFXYTDCGCT-FMCGGJTJSA-N 431.463 5.385 30 10 IKEE CCCCCCCCN=c1nc(N(CCC)CCCC)[nH]c(=NCCCCCCCC)[nH]1 1871468475 BBSDWGWGBLOIST-UHFFFAOYSA-N 448.744 6.277 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(C(C)C)cc1)[C@@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1871848352 BKCZPGQAJDLZKJ-FDDCHVKYSA-N 446.588 5.179 30 10 IKEE C=CCN([C@H](CC(C)C)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 1871985127 YIRMZUUJIVYEPD-JOCHJYFZSA-N 449.016 5.187 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)CCCC 1872213082 JVXMEOSUUSRRPO-JOCHJYFZSA-N 436.662 5.345 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(Cl)c(C)c1)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872296796 VKVOYRQQLKLZGY-JOCHJYFZSA-N 449.016 5.105 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(C)C 1872613862 WPSOWJYQDZYKTJ-JOCHJYFZSA-N 438.678 5.172 30 10 IKEE N#Cc1cccc(NC(=O)c2ccc3nc(-c4cccc(OC(=O)c5ccco5)c4)[nH]c3c2)c1 1872735404 RXWFKLWOJFJJMK-UHFFFAOYSA-N 448.438 5.166 30 10 IKEE COc1ccc(Cl)cc1C(=O)[C@H](C#N)c1nc(-c2cccc(Br)c2)cs1 1872763648 RARXXJSQZRYAHI-HNNXBMFYSA-N 447.741 5.725 30 10 IKEE COc1cc(OC)c(-c2csc([C@@H](C#N)C(=O)c3ccccc3Cl)n2)cc1Cl 1872783143 SHQQLEJJCOOPRZ-ZDUSSCGKSA-N 433.316 5.624 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C\c3ccc(Cl)cc3)n2)cc1Cl 1872785556 PTIQVWKBSQTSMR-FAOGRTBUSA-N 429.328 6.015 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@H](C#N)C(=O)c2ccc(OC(C)=O)cc2)n1 1872786275 GPVDCGJAEIPHKW-QGZVFWFLSA-N 440.908 5.196 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@H](C#N)C(=O)CCOc2ccccc2)n1 1872786551 MXVFSIQESLPYMY-QGZVFWFLSA-N 426.925 5.426 30 10 IKEE CCCCCCCCN1C(=O)C(NC2CCCCCC2)=C(c2ccc(Cl)cc2)C1=O 1873138316 LSILXVBVDUPBJK-UHFFFAOYSA-N 431.020 6.093 30 10 IKEE N#Cc1nc(-c2cccs2)oc1N/N=C/c1c(O)ccc2cc(Br)ccc12 1873462063 MFNYFGAHOABHRG-LSHDLFTRSA-N 439.294 5.342 30 10 IKEE CCCCCCCCCCN=c1nc2c(cnn2-c2ccccc2)c(Nc2ccccc2)[nH]1 1873479883 PROMQFBWMIAJLZ-UHFFFAOYSA-N 442.611 6.534 30 10 IKEE CC(=O)c1ccc(-c2ccc(/C=N/n3c(C)nnc3SCc3cc(C)cc(C)c3)o2)cc1 1873501640 HAVDTYIZCRWJNA-VULFUBBASA-N 444.560 5.840 30 10 IKEE C=CCn1c(C(=O)Nc2cc(C)cc(C)c2)cc2c(NCCCCCCCC)ncnc21 1873621562 WXJAVZVLACHDRL-UHFFFAOYSA-N 433.600 6.259 30 10 IKEE CCc1ccc(/C=N/n2c(COc3ccc(OC)cc3C(C)(C)C)nnc2SC)cc1 1874193766 HDCTZIAGWYVCMY-MFKUBSTISA-N 438.597 5.330 30 10 IKEE CCCSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1ccccc1OC 1874209582 OUWBPDJGVGRVSS-HYARGMPZSA-N 445.386 5.024 30 10 IKEE CCOc1ccccc1OCc1nnc(SCC)n1/N=C/c1c(F)cccc1Cl 1874241177 SSHMUDJQLYSUEZ-FSJBWODESA-N 434.924 5.043 30 10 IKEE C=C(C)CSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1c[nH]c2ccccc12 1874261396 GQPSBNLJNYTJQI-KBKYJPHKSA-N 439.491 5.167 30 10 IKEE Clc1ccc(OCc2nnc(SCCc3ccccc3)n2/N=C/c2ccco2)cc1 1874264876 FJMUNUCSQQTRNO-BUVRLJJBSA-N 438.940 5.321 30 10 IKEE CCCSc1nnc(COc2c(C)cccc2C)n1/N=C/c1c(F)cccc1Cl 1874300606 VMJINHSDSSBNDU-WYMPLXKRSA-N 432.952 5.651 30 10 IKEE COc1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SCCc2ccccc2)cc1 1874376046 BUCCYFVVNIZSFS-OVVQPSECSA-N 446.551 5.234 30 10 IKEE CCc1ccc(/C=N/n2c(COc3ccccc3)nnc2SCc2ccc(C)cc2)cc1 1874382256 GUMOOOIHHVXISN-WPWMEQJKSA-N 442.588 5.902 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCc3ccccc3F)nnc2[C@@H](C)c2ccccc2)c1 1874395208 HCKNESTTZKISPF-FLOSOGMCSA-N 446.551 5.758 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874395525 OWCYUETUPXGFSR-OAKZWBAKSA-N 443.532 5.513 30 10 IKEE COc1ccccc1/C=N/n1c(Cc2ccccc2)nnc1SCc1cccc(Cl)c1 1874419338 JDOMDWJTJSNLCB-WGOQTCKBSA-N 448.979 5.705 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C2CCCC2)cc1 1874457670 AKYZYLMMFJQCRQ-BRJLIKDPSA-N 432.927 6.042 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(C2CCCC2)n1/N=C/c1ccc(Cl)cc1 1874458054 VEOGGXOFRAJBRQ-BRJLIKDPSA-N 449.382 6.556 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1c(F)cccc1Cl 1874479608 ISWIHWVPGDOBTC-WYMPLXKRSA-N 437.371 6.241 30 10 IKEE COc1cccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C(C)(C)C)c1O 1874486410 QICZBIWGDOYKDG-BHGWPJFGSA-N 448.951 5.257 30 10 IKEE CN(C)c1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CCC2)cc1 1874496725 AVLMBBZFFDEFFX-WPWMEQJKSA-N 441.604 5.939 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1cn(C)c2ccccc12 1874529188 WGNWSDXFPMZUJC-BHGWPJFGSA-N 427.936 5.299 30 10 IKEE CCCCCOc1ccc(/C=N/n2cnnc2SCc2ccccc2F)cc1OCC 1874538545 KPPYVVUDIQXNSL-CVKSISIWSA-N 442.560 5.559 30 10 IKEE Cc1cccc(COc2ccc(Br)cc2/C=C/C(=O)c2cccc(Cl)c2)c1 1874576250 FHMFFTQMTOJDPA-CSKARUKUSA-N 441.752 6.886 30 10 IKEE COC(=O)COc1ccc(Br)cc1/C=C/C(=O)c1cccc2ccccc12 1874583180 AUIMGLHNZCKHPO-PKNBQFBNSA-N 425.278 5.050 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C/C(=O)c2c(C)cc(C)cc2C)cc1 1874589845 FYWPLYXSGVIOGK-YRNVUSSQSA-N 447.962 6.487 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(OC)c2)c1 1874605683 AENKGCCFDHNTFG-FMIVXFBMSA-N 445.515 5.234 30 10 IKEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1Cl 1874607866 KHPLYYCOECQZAI-YCRREMRBSA-N 437.717 5.331 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OCc3cccc4ccccc34)c(Cl)c2)ccc1F 1874618541 HAUJEPVHFPQBQC-UKTHLTGXSA-N 430.906 7.416 30 10 IKEE COc1c(Br)cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1Br 1874623949 DVJRGMGBWWZMCV-RUDMXATFSA-N 438.159 6.240 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cccc(OC(=O)CCCOc2c(C)cccc2C)c1 1874698955 WJQKBNXUXFBNBW-WUKNDPDISA-N 444.527 5.973 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccc(Cl)c(Cl)c1 1874702723 GSNBIVUKOLWREQ-NYYWCZLTSA-N 442.254 6.017 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OC(=O)C1CC1 1874704066 VOMMFJSRCSMIQW-SOFGYWHQSA-N 433.273 5.117 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC(=O)c1cccnc1 1874710671 HHMVJYKSZLCPGQ-CSKARUKUSA-N 445.515 5.646 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCc3ccccc3OC)c2)c(OC)c1 1874714355 QVHOORVMOVJBKL-RVDMUPIBSA-N 446.499 5.147 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2cccc3ccccc23)CSc2nnc(C3CC3)n21 1874849749 MCVYUWVPPSUSLD-HSZRJFAPSA-N 448.636 6.371 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3c(F)cccc3Cl)cc2)cc1OC 1875099280 ZRWPDUSDNSUACA-XYOKQWHBSA-N 440.854 5.612 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3C)c([N+](=O)[O-])c2)cc1C 1875108420 OHUYKGARAPKPMK-DHZHZOJOSA-N 431.444 5.336 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)Cc1ccccc1 1875122675 HJNFITVBWJLJCD-MDWZMJQESA-N 436.891 5.401 30 10 IKEE COc1ccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2)cc1 1875132703 ZQIGQFARSUFMCS-GIJQJNRQSA-N 430.500 5.664 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)CCc1ccccc1C 1875134009 ILZRFZWYJYUDAQ-GXDHUFHOSA-N 428.528 6.055 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3cccnc3)c(Br)c2)c1 1875139618 QZUWSUZJMADPQM-VQHVLOKHSA-N 436.305 5.576 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)c1ccccc1 1875140091 PDZBTBHZMQVPOT-CCEZHUSRSA-N 426.512 6.156 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(-n4cccc4)cc3)cc2)ccc1F 1875141161 QGYLZFLUPQATNN-GIDUJCDVSA-N 425.459 6.040 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)ccc1OC(=O)[C@H]1CCCO1 1875180363 SVKBLICDIGTJGJ-WFNSPDMASA-N 444.911 5.036 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)[C@H]1CCCO1 1875182933 CDNJEGSTUVDCAK-MHNQQFQPSA-N 442.939 5.644 30 10 IKEE N#CC1(c2ccc(C(=O)N[C@@H]3CCc4nc5ncc(-c6ccccc6)cc5cc4C3)cc2)CC1 1891000160 AZJNYELXVIPLHY-RUZDIDTESA-N 444.538 5.139 30 10 IKEE C=CCC(C)(C)[C@@H](O)c1sc(Br)c(Br)c1Br 1903214916 SJGYSMBENFKXTA-VIFPVBQESA-N 433.003 5.671 30 10 IKEE C=CCC1(NCc2cc(Br)ccc2Cl)CCN(C(=O)OC(C)(C)C)CC1 1924542751 NPDZYHLUBXAVDR-UHFFFAOYSA-N 443.813 5.538 30 10 IKEE CC(C)C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCC1 1944820499 MVDWIELPVFOBTQ-UUOWRZLLSA-N 435.609 5.341 30 10 IKEE CC1(C)OB([C@@H]2CCCN(C(=O)c3cscc3OCc3ccccc3)C2)OC1(C)C 1950319070 COPFAKOHDZNIHO-GOSISDBHSA-N 427.375 5.026 30 10 IKEE C=C(CCCc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1)C(=O)O 1951602584 QKLHSHPPSULVJO-UHFFFAOYSA-N 427.500 6.011 30 10 IKEE C[C@@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)[C@@H](OCc2ccccc2)C1 1998819097 QQKAARZSXXUQPF-SEIBCYHCSA-N 426.601 6.224 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@]1(C#N)CCN(Cc2ccccc2)C(C)(C)C1 2022265260 WTAWMOSNWACRKP-HSZRJFAPSA-N 426.565 5.261 30 10 IKEE CCOc1ccc2oc(C(=O)N3C(=N[C@@H]4CCCC[C@H]4C)SCC3(C)C)c(C)c2c1 2040469847 PQJDUCOVWJQBMP-DNVCBOLYSA-N 428.598 6.042 30 10 IKEE C=CCCCC[C@H](NCCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2059117540 HESUKZIHGPOJFZ-IGKIAQTJSA-N 444.660 5.945 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)cc1 2071500243 DPSFJZYAYXOATF-DMJCMNNJSA-N 441.572 5.418 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)cc1 2071500244 DPSFJZYAYXOATF-NNPDTBDGSA-N 441.572 5.418 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(Cc3ccccc3)C(C)(C)C2)c1 2079261444 ADEGUOWEZLEETP-HHHXNRCGSA-N 433.596 6.074 30 10 IKEE C[C@@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(C)(C)C)c(C=NO)c1Br 2079954360 LCJSXMSRUBUYKG-VIFPVBQESA-N 436.247 5.518 30 10 IKEE CC[C@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)(F)F)c(C=O)c1Br 2079958441 VFMKJYSGTBLTMB-LLVKDONJSA-N 447.148 5.634 30 10 IKEE CCCOc1ccc([C@H](C(C)C)n2nc(C3CC3)c(C#N)c2I)cc1 2080064147 OTEPCPWHGNZJEV-IBGZPJMESA-N 449.336 5.271 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCC[C@H]2CSC[C@H]21 2087832669 ABQQKHARFNWUNW-MDOVXXIYSA-N 437.403 5.616 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCCC(F)(F)CC1 2097429400 JREHOYJJLZIZIT-SFHVURJKSA-N 429.305 6.052 30 10 IKEE C=CCN(CC[C@@H](Cc1ccc(C)c(Br)c1)NCC)C(=O)OC(C)(C)C 2099287863 OMXVHCXDCCOENH-SFHVURJKSA-N 425.411 5.091 30 10 IKEE CCC[C@]1(Nc2cc(Br)cc(F)c2C#N)CCN(C(=O)OC(C)(C)C)C1 2107449653 JZHRJMHMLJWRAI-IBGZPJMESA-N 426.330 5.051 30 10 IKEE CCN(Cc1cccc(Nc2cccc(Br)c2C#N)c1)C(=O)OC(C)(C)C 2162422052 KNUKXPSUOAHDJY-UHFFFAOYSA-N 430.346 5.821 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)cc(OC)c1 2201000054 PYDCHJFXJOHORI-MOPGFXCFSA-N 441.410 5.358 30 10 IKEE N#Cc1ccc(Nc2ccc(Br)cc2I)c(Cl)c1 2223655308 YPYVQCAGYGGGEB-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)cc(F)cc1Br 2233954899 IBFFDXDJFSZQDR-WMZOPIPTSA-N 445.348 5.075 30 10 IKEE CCCCCCCC[C@H](O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237383265 HXVPFHSQXMTGSE-PMACEKPBSA-N 442.438 5.996 30 10 IKEE C=CCC1([C@@H](NC)c2sc(Br)c(C)c2C)CN(C(=O)OC(C)(C)C)C1 2254697709 QNQHUNYYHBBRAK-HNNXBMFYSA-N 429.424 5.201 30 10 IKEE C=CCCC1([C@H](O)c2sc(C)c(C)c2Br)CN(C(=O)OC(C)(C)C)C1 2254993691 ILHALZUVSDSXDR-MRXNPFEDSA-N 430.408 5.364 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Br)cc(C(C)C)c1 2266003475 RBHDMPYIBVFNNT-RBUKOAKNSA-N 425.411 5.693 30 10 IKEE CC(C)(C)OC(=O)NCc1ccc(Nc2cc(Br)cc(C#N)c2)cc1Cl 2266932585 PIKXDXQJHSAFEY-UHFFFAOYSA-N 436.737 5.742 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Br)cc(C(C)(C)C)c1 2273004334 ALGOXSQYHRBARQ-ZWKOTPCHSA-N 425.411 5.477 30 10 IKEE C=CCCC1([C@@H](NC)c2c(F)cc(C)cc2Br)CN(C(=O)OC(C)(C)C)C1 2281038916 XOJDSEYFSIZYCN-SFHVURJKSA-N 441.385 5.360 30 10 IKEE C=C([C@H](NCC)[C@](C)(O)c1cc(Br)c(Br)s1)C(C)(C)C 2281232893 JZFIQXHOMKEIHH-SWLSCSKDSA-N 425.230 5.061 30 10 IKEE C=CC[C@]1(COc2cc(C)c(N)cc2Br)CCCN(C(=O)OC(C)(C)C)C1 2287760917 QWTAZKLUEBNQAN-NRFANRHFSA-N 439.394 5.312 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)CN(C(=O)OC(C)(C)C)[C@@H](C)CC 2296219720 QYWZWZFXLQWRSA-FXAWDEMLSA-N 437.422 5.204 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](CC(=O)C#Cc1cccc(Br)c1)c1ccccc1 2296232627 PDTNBJPFHWTEMP-FQEVSTJZSA-N 428.326 5.026 30 10 IKEE CSc1ccc(C=NN2C(=S)SC(C)(C)[C@@H]2N(O)C(=O)Nc2ccccc2)cc1 2297748002 OVIZWAHKNZVBBT-KRWDZBQOSA-N 446.623 5.104 30 10 IKEE O=C(C=Cc1ccccc1)Oc1ccccc1C=CC(=O)c1ccc(Br)cc1 2314430128 XAPJAXDEGXGYPE-UHFFFAOYSA-N 433.301 5.964 30 10 IKEE O=C1C(=CC=Cc2ccccc2)Oc2cc(OCc3ccc(Br)cc3)ccc21 2314437874 ZBRQFQMCHMEHKF-UHFFFAOYSA-N 433.301 6.201 30 10 IKEE Cc1ccc2c(c1)C(=O)C(=Cc1cn(-c3ccccc3)nc1-c1ccc3c(c1)OCCO3)O2 2314519519 RKYKLAQXFBKJBB-UHFFFAOYSA-N 436.467 5.235 30 10 IKEE CCCCCCCCCCCn1c([C@@H](C)NC(=O)C=Cc2ccccc2)nc2ccccc21 2314867357 LPLKXXNDHDZZDD-XMMPIXPASA-N 445.651 7.458 30 10 IKEE Clc1ccc(CSc2nnc(C3CC3)n2N=Cc2cccc(Br)c2)cc1 2320882089 HRXBIRYPYQBTBO-UHFFFAOYSA-N 447.789 5.746 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc2c(c1)OCCO2 2321048149 DKAFUDFTPJLXKT-UHFFFAOYSA-N 449.363 5.093 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2321289328 VYKSGJVAPBDTGP-OALUTQOASA-N 445.535 5.249 30 10 IKEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2321320094 GLUAJQIQAFQCLC-SRGWNRLKSA-N 447.551 5.495 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2321343853 HCOWLAKOCDKXMP-MOPGFXCFSA-N 445.535 5.249 30 10 IKEE FC(F)(F)c1nnc(S)n1N=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 2321915116 USSBAWVFFWXOJV-UHFFFAOYSA-N 447.269 5.354 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(C(C)C)cc1)O3)CN(CCCOC(C)C)CO2 2322024059 RRIHFNIPDFSNIQ-UHFFFAOYSA-N 435.564 5.702 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=CC=Cc1ccccc1)O3)CN(CCCc1ccccc1)CO2 2322214594 NVFLDONOQIONRF-UHFFFAOYSA-N 437.539 5.952 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCc2ccc(F)cc2)cc1C 2322415764 NRLPENAOCLAHRL-UHFFFAOYSA-N 440.898 6.280 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(Cl)cc2C=CC(=O)c2ccccc2OC)o1 2322481553 GICMJXIODXGYOK-UHFFFAOYSA-N 440.879 5.593 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCc3cccc(C)c3)ccc3ccccc23)cc1F 2322708340 WNPUMBVQIONNPX-UHFFFAOYSA-N 426.487 6.771 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC)c2OCc2cc(C)ccc2C)cc1C 2322999024 PRBSZLWGEFOJBE-UHFFFAOYSA-N 430.544 6.413 30 10 IKEE Cc1ccc(OCC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1 2323195483 JQLOLKRYJDUEGG-UHFFFAOYSA-N 434.875 5.557 30 10 IKEE COc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)ccc1OCC(=O)OCC(C)C 2323354470 FJTJBXCUYPICLA-UHFFFAOYSA-N 444.527 5.836 30 10 IKEE Cc1cc(OC(=O)Cc2ccc(Cl)c(Cl)c2)cc2c1C(=O)C(=Cc1cccs1)O2 2323419483 LSBNSHBXQZDCPR-UHFFFAOYSA-N 445.323 6.128 30 10 IKEE Cc1cc(OC(=O)C=Cc2ccc(C(C)C)cc2)cc2c1C(=O)C(=Cc1ccc(F)cc1)O2 2323503624 PGOAJXWOPJTHOM-UHFFFAOYSA-N 442.486 6.493 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OCC(=O)NC1CCCCC1 2323985139 PWIYWJDSEYRGNI-UHFFFAOYSA-N 439.527 5.257 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OCc1c(F)cccc1Cl 2324181964 YTUDAIIOPTWKNM-UHFFFAOYSA-N 444.861 6.111 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OCc1cccc(C)c1 2324280812 BGVCZBBOSYCOMI-UHFFFAOYSA-N 444.571 6.919 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2F)C3=O)cc1 2324376025 XXLHVEPYJNYCGC-QGZVFWFLSA-N 431.463 5.465 30 10 IKEE Cc1cccc(OCCOc2cc(C)c3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)c1 2324532216 CXMBZLBONZYHEP-UHFFFAOYSA-N 431.444 5.286 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)c(OC)cc2C)cc(Br)c1OCC 2324645735 LKCJMONKBPIPJQ-UHFFFAOYSA-N 433.342 5.768 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccc(C#N)cc4)cc(C)c3C2=O)cc1 2325302083 QEUWIZBZKWKRNA-GOSISDBHSA-N 438.483 5.197 30 10 IKEE Cc1cc(OCc2ccccc2C#N)cc2c1C(=O)C(=Cc1cccc(Br)c1)O2 2325352718 GJGYCNCGLMVNIA-UHFFFAOYSA-N 446.300 5.824 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCCC(=O)Nc3ccccc3)cc(C)c2C1=O 2325485653 DPNQYJLUNVNCJN-UHFFFAOYSA-N 443.499 5.418 30 10 IKEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccc(OCC)cc1 2325513412 CMHDAVQZWNYOMR-UHFFFAOYSA-N 439.541 5.102 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3ccccc3CC)c2)cc1 2325712549 ZSYRKTOVEJWGNN-UHFFFAOYSA-N 442.555 6.472 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3ccccc3CC)c2)cc1 2325734919 PNRVNQQZQQIDGN-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE CCCCC1CCC(C(=O)Oc2cc(C=CC(=O)c3ccc(C)cc3C)ccc2OC)CC1 2325735366 RTNHHWPQELDJTM-UHFFFAOYSA-N 448.603 7.110 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(N(C)C)cc3)c2)cc1 2325739439 MCAVWGYTJVKCGS-UHFFFAOYSA-N 429.516 5.657 30 10 IKEE Cc1nc2ccc(C(=O)Oc3cccc(C=CC(=O)c4ccc(F)cc4)c3)cc2nc1C 2325751368 WKLQLUKCINOHIB-UHFFFAOYSA-N 426.447 5.501 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cccc4ccccc34)c2)c(C)c1C 2325755636 RGZVJEAZFCWKKU-UHFFFAOYSA-N 436.507 6.581 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1OC(=O)c1ccccc1 2325765153 ZDDONTYNOVYPOJ-UHFFFAOYSA-N 428.528 6.416 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCCC)n1N=Cc1cccc(Cl)c1 2326477287 WUMVOVOCLMKEJE-UHFFFAOYSA-N 442.972 5.460 30 10 IKEE C=CCSc1nnc(COc2c(C)cccc2C)n1N=Cc1c(Cl)cccc1Cl 2328559505 JVJFAVAZCRCCLC-UHFFFAOYSA-N 447.391 5.941 30 10 IKEE CCCSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1ccc(C(C)(C)C)cc1 2328799916 UPGCVRLJEFASBD-UHFFFAOYSA-N 436.625 6.156 30 10 IKEE Cc1cccc(OCc2nnc(SCc3ccccc3)n2N=Cc2cccnc2)c1C 2328846868 YHEXYBHGDNLCLP-UHFFFAOYSA-N 429.549 5.043 30 10 IKEE C=CCSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1ccc(C(C)(C)C)cc1 2328961738 NKUXKUQDVSCSTI-UHFFFAOYSA-N 432.637 6.138 30 10 IKEE CSc1nnc(Cc2ccccc2F)n1N=Cc1cccc(OCc2ccccc2)c1 2329698841 STHBZCGYNQTNIJ-UHFFFAOYSA-N 432.524 5.191 30 10 IKEE C=C(C)CSc1nnc(Cc2ccccc2F)n1N=Cc1ccc(OCCCC)cc1 2329741063 ROXCMWSEDQAVET-UHFFFAOYSA-N 438.572 5.737 30 10 IKEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OC(=O)c1cccs1 2330618758 DQVJXRHPKFLZQP-UHFFFAOYSA-N 443.864 5.434 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(OC)c2)cc(OC)c1OC(=O)c1ccc(C)cc1 2330798738 MOFPNWLEDLSLJH-UHFFFAOYSA-N 442.511 5.856 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(C)c3)cc2)c(OC)c1 2330854844 KVOBKKMSWUAPKE-UHFFFAOYSA-N 446.499 5.065 30 10 IKEE Cc1cccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2[C@H]2CCCO2)c1 2331004176 SDAXECGHWYORTE-LJQANCHMSA-N 447.391 5.919 30 10 IKEE Cc1ccc(CSc2nnc(C3CCCC3)n2N=Cc2cc(Cl)ccc2O)cc1 2331018250 NHGDDUCKJVOSNQ-UHFFFAOYSA-N 426.973 5.778 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1cccc(Cl)c1 2331132556 YFQJWSUDPKHQBJ-UHFFFAOYSA-N 441.310 6.507 30 10 IKEE C=C(C)CSc1nnc(C(F)(F)F)n1N=Cc1ccc(OCCCCC)c(OC)c1 2331136054 BNVCNGARYIPLTA-UHFFFAOYSA-N 442.507 5.425 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2331183792 NCRBTQDJVSJQPK-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc(Cl)c1OC(=O)CC(C)C 2331236965 NQKOKVXEFVJDGM-UHFFFAOYSA-N 441.738 6.503 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(OC)ccc2OC)cc(Cl)c1OC(=O)C1CCC1 2331390421 KJLRJFATLNHXDC-UHFFFAOYSA-N 444.911 5.358 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc([N+](=O)[O-])cc1 2331467586 HTOXBEXVBRLQSR-UHFFFAOYSA-N 429.933 5.213 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)c(F)c3F)cc2)cc1Cl 2331817257 ZZVCRHWMYILVHV-UHFFFAOYSA-N 446.808 5.881 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(Cl)c2)cc(OC)c1OC(=O)C1CCC1 2331834867 NGHOITHGWLRNET-UHFFFAOYSA-N 440.923 5.687 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)ccc1OC(=O)c1cccs1 2331869988 GMMMNQUSGHYLRD-UHFFFAOYSA-N 444.508 6.034 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C(C)(C)C 2339541702 QMGMCPOPXCDVQR-SFHVURJKSA-N 445.413 5.078 30 10 IKEE CN(C(=O)OC(C)(C)C)C(C)(C)CCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339582231 PUPRWQPAOGNOOZ-FYWRMAATSA-N 446.397 5.141 30 10 IKEE CCCN[C@@H](C#C[C@H]1CC1(C)C)c1cc(Br)ccc1I 2365094611 YCERDJJTUOTXFY-LRDDRELGSA-N 446.170 5.144 30 10 IKEE C=CCCC1([C@H](O)c2cc(C)cc(Br)c2OC)CN(C(=O)OC(C)(C)C)C1 2365226565 WCZUFDQCPCSRBI-GOSISDBHSA-N 440.378 5.003 30 10 IKEE COCc1ccc(CN(C(=O)OC(C)(C)C)[C@H](C#N)c2ncc(SC)s2)s1 2368036315 OXOSLHLTAZQWHI-CQSZACIVSA-N 425.601 5.075 30 10 IKEE CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccc(C#N)cc2)cc1 9966129 JPMUNOJINQVEHN-UHFFFAOYSA-N 426.545 5.421 30 10 IKEE O=C(/C=C\c1ccc(Br)cc1)c1cc2cc(Br)ccc2oc1=O 34714523 QBCWNTQANVYTNC-CLTKARDFSA-N 434.083 5.214 30 10 IKEE Cc1ccc(-n2c(C)cc3c2CC(C)(C)C/C3=N\OC(=O)c2cccc(Cl)c2)cc1C 39853134 VAZIUFLSEKBOSD-WEMUOSSPSA-N 434.967 6.589 30 10 IKEE C=CCc1ccccc1OCCCCn1c(CNC(=O)c2ccccc2)nc2ccccc21 40275761 FAZVUMWEFNVIFT-UHFFFAOYSA-N 439.559 5.554 30 10 IKEE C[C@@H]1CCc2c(C#N)c(NC(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)sc(=S)c2C1 41017924 RBJBHXORDYBTEH-HUUCEWRRSA-N 440.634 6.178 30 10 IKEE CC(C)(C)c1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccccn3)CO4)C2=O)cc1 41659285 MMGDYKFRWOJXQM-OYKKKHCWSA-N 426.516 5.347 30 10 IKEE CCCCCCCOc1cccc(NC(=O)[C@H](CC)Oc2ccccc2[C@H](C)CC)c1 100260733 URNCFDVOIJJMDA-BWKNWUBXSA-N 425.613 7.345 30 10 IKEE CCCCCCCOc1c(Cl)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Cl 101138300 XUBCBNQUNGFDTQ-UHFFFAOYSA-N 425.312 6.503 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2cc(C)ccc2C)cc1 169924843 FZTMBAFWKWNAGP-NRFANRHFSA-N 448.544 5.168 30 10 IKEE CCN1C(=S)N[C@@H](c2cccc(OCc3c(Cl)cccc3Cl)c2)C(C(C)=O)=C1C 169933421 NMNOSPRCADINKT-NRFANRHFSA-N 449.403 5.687 30 10 IKEE COc1cccc(/C=N\Nc2nc(-c3ccc(F)cc3)cs2)c1OCc1ccccc1 169942174 BXCHOJANACBNSQ-WGARJPEWSA-N 433.508 5.983 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2cccc(C)c2)c1 170036051 KYDIBFDJHQDUHL-SANMLTNESA-N 441.527 5.496 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2C2CCCCC2)c1 170039098 SHZWRDAAJXJMFO-XMMPIXPASA-N 444.531 5.478 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccc(F)cc2)c1 170061338 UUVFINRZQMQDKF-QFIPXVFZSA-N 435.882 5.879 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccc(F)cc2)cc1 170064260 AZXSHCBSPONLPX-QFIPXVFZSA-N 437.417 5.449 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1c[nH]c2ccccc12)c1cc2ccccc2o1 170077080 KQMUQQRUAGTKFW-DEOSSOPVSA-N 449.466 5.088 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)C)cc2)[C@H]1c1cccc(O)c1 170079288 SEORGZJBNMQLGB-DEOSSOPVSA-N 443.499 5.307 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@@H]1c1ccc(OCC)cc1 170214484 SXKOTUZQWFYNGD-DEOSSOPVSA-N 449.547 5.179 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccccc2)cc1 170224288 IKMRHZJYLICSDS-SANMLTNESA-N 437.539 5.911 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccccc1 170226458 PCXSRZZUPYNTIA-JOCHJYFZSA-N 447.918 5.748 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(F)cc2)cc1 170237396 RMSQJZVUCVXHHH-NRFANRHFSA-N 437.492 5.064 30 10 IKEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)cc4)[C@@H]3c3ccc(F)cc3)ccc2O1 170238698 CZWQBLLAFWCZQG-QKFKETGDSA-N 447.437 5.071 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccc2F)cc1C 170248611 CAIAESLTYHJXTH-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C2CCCC2)cc1 170268619 KTZRONLEWTXZSF-OAQYLSRUSA-N 444.358 6.077 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(C)o1 170310754 WXWYHQZYWMCBNG-JOCHJYFZSA-N 437.536 5.415 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2sccc2C)ccc1Cl 170317396 PNNJPFSANSSAJW-IBGZPJMESA-N 445.968 5.630 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2sccc2C)ccc1Cl 170319517 JRVIHMUQRUDHKD-GOSISDBHSA-N 431.941 5.239 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2sccc2C)ccc1OC(C)C 170319727 UPRIVKOCVMNCDB-OAQYLSRUSA-N 439.577 5.673 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 170421779 KWJIFXUBCICXCJ-QFIPXVFZSA-N 435.882 5.300 30 10 IKEE CC(C)Oc1ccc(N2C(=O)C(O)=C(C(=O)C(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 170469468 JMFFYDSTJKCDAG-QHCPKHFHSA-N 435.564 5.896 30 10 IKEE COc1ccc(-c2nc3cc(N=Cc4ccc(-c5cccc([N+](=O)[O-])c5)o4)ccc3o2)cc1 252637215 XQHBVMCHFFVEAB-UHFFFAOYSA-N 439.427 6.422 30 10 IKEE O=C(OCc1ccccc1)N1C[C@H](CS)[C@H](c2ccc(Br)cc2Cl)C1 382717712 LNILPHFUUQLZIM-RHSMWYFYSA-N 440.790 5.385 30 10 IKEE Cc1ccsc1[C@@H]1C(c2ccc(Cl)cc2Cl)=C(O)C(=O)N1c1cccc(C#N)c1 526520040 DMPTUHOFEUSZCC-IBGZPJMESA-N 441.339 6.292 30 10 IKEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1ccc(C(C)(C)C)cc1 526813816 ANXSKTFSVLWUJV-MSXFZWOLSA-N 433.408 6.365 30 10 IKEE CCCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1ccc(F)cc1 526814192 BIHSUIGBGCKDRE-MSXFZWOLSA-N 437.371 6.241 30 10 IKEE Clc1ccc(CSc2nncn2/N=C\c2cccc(Br)c2)cc1Cl 526814718 OQQPGQRLHMIQQN-WNFQYIGGSA-N 442.169 5.522 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccccc1C(=O)O 526821844 NOOKUHDINYHLSJ-QQXSKIMKSA-N 444.560 5.647 30 10 IKEE N#Cc1cccc(CN(Cc2ccccc2Cl)S(=O)(=O)c2ccccc2Cl)c1 586172806 HYBGDGUMKWHOBD-UHFFFAOYSA-N 431.344 5.256 30 10 IKEE C#CCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(Br)cc1 586205489 DQAJBEWWMNYTOS-UHFFFAOYSA-N 442.334 5.070 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CC[C@H](C)N(C(=O)OC(C)(C)C)C1 698481837 ABLXAZYAARKLTE-MHECFPHRSA-N 429.561 5.418 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 698828588 BDPIOWUMPQQNLC-MBSDFSHPSA-N 449.979 5.763 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@](C)(C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 699644851 PQVPRXOIGHBCHP-NLFFAJNJSA-N 443.588 5.353 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)CC1 704042519 KPPSZLCIQPJCPX-HSZRJFAPSA-N 449.979 5.765 30 10 IKEE CCCCCCC[C@H](C(=O)O)N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CCC1 712352072 JVORBJHMYPEZMT-AREMUKBSSA-N 449.591 6.604 30 10 IKEE CSc1cnc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)s1 712921415 YVGLSIXSLVNODN-CYBMUJFWSA-N 440.388 5.634 30 10 IKEE CN1C(=O)C[C@@H](C(=O)Nc2ccccc2Cl)SC1=Nc1ccc(Cl)c(Cl)c1 1084341119 MJYUMRURLWJKOW-HNNXBMFYSA-N 442.755 5.237 30 10 IKEE C=C(C)[C@@H]1CC[C@@H]2[C@]3(C)CC[C@H]([C@H](C)CCC=C(C)C)[C@]3(C)CC[C@]23C[C@]13CCC(=O)O 1615811191 KNVUFXYCGYEIRS-DUIQZCAGSA-N 440.712 8.429 30 10 IKEE biogenic O=C1N=C(NN=Cc2ccccc2)S/C1=C/c1ccc(-c2cccc(Cl)c2Cl)o1 1772724197 NECBKSVAAYVJFY-VZBJGXFGSA-N 442.327 5.847 30 10 IKEE CCCCCOc1ccc(CN2C(=O)C(=NO)c3cc(Br)cc(C)c32)cc1 1772729075 UYICDUQZKXFDRQ-UHFFFAOYSA-N 431.330 5.052 30 10 IKEE CN1C(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)SC1=Nc1nccs1 1772736681 MEHVZCFHXCZUEC-YIFJCWOOSA-N 441.965 5.609 30 10 IKEE O=C1/C(=C/C=C/c2ccccc2)SC(=NN=Cc2ccc(O)cc2)N1Cc1ccco1 1772757611 HXFADCGQJDCLMI-ZPENRNQESA-N 429.501 5.048 30 10 IKEE O=C1/C(=C/C=C\c2ccccc2)SC(=NN=Cc2ccccc2F)N1Cc1ccco1 1772759182 MURVIJRDRSWUBC-GJLCWAOLSA-N 431.492 5.482 30 10 IKEE COc1ccc(NC(=S)N/N=C\c2cn(-c3ccccc3F)nc2-c2ccccc2)cc1 1857810570 OZZVEZWSPJXZPD-YSMPRRRNSA-N 445.523 5.008 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)CCCc2ccc(F)cc2)nc2c(C)cccc12 1859657191 WWLMAHVKNKDLDX-UHFFFAOYSA-N 427.483 5.010 30 10 IKEE Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)c3cnc(C(C)C)s3)cc(C)c2c1 1859750997 ZCTHYIQLGDTRHV-UHFFFAOYSA-N 430.537 5.050 30 10 IKEE CCCCCCCCNC(=O)[C@H](NC(=O)c1c(Cl)ccc(Cl)c1Cl)[C@@H](C)CC 1861150314 MXWVLWDAVPJMJX-IFXJQAMLSA-N 449.850 6.268 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C(C)C)c1 1862382245 ARKRINKZUGCKOL-IBGZPJMESA-N 434.319 5.379 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 1862397406 LPIBUVVNHYFLMF-HSZRJFAPSA-N 449.547 5.050 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccccc2C)cc1C 1862400810 NIZNIQDMFYQAFE-KBMIEXCESA-N 441.527 5.652 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@@H]1c1cccc(O)c1)c1ccc(F)cc1F 1862412058 VFUGUTHTTJWQGU-JOCHJYFZSA-N 439.458 5.139 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CCCCCC2)cc1 1862414362 YIAQROVEQXJISE-JOCHJYFZSA-N 441.474 5.275 30 10 IKEE CCN(CC)CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccccc1 1862429124 GJEOYCZMKIQQOE-JOCHJYFZSA-N 440.971 5.040 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(Cl)cc1 1862432624 JAVZZMCOTCDJHR-XWRIVVANSA-N 444.358 6.150 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(OCCCC)cc1 1862451366 DBBIJOWOTJQNGJ-NRFANRHFSA-N 425.912 5.283 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@H](C)c2ccccc2)c1 1862489676 YBYQOZJLNYLGBW-KBMIEXCESA-N 441.527 5.652 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2ccc(F)cc2F)cc1 1862516875 ZGPLNAMEYFGFGT-QKKBWIMNSA-N 429.463 5.130 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccc(Cl)cc2Cl)cc1 1862521400 HVJNIIWQMQRVEJ-FQEVSTJZSA-N 446.330 5.523 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccccc2C)cc1 1862532252 GRQORQZADHLBCB-UQBPGWFLSA-N 425.528 5.897 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2cccs2)cc1 1862561300 SICGPLYSPBDRCG-JOCHJYFZSA-N 432.545 5.232 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)cc1 1862561641 VZNJINPQLUEVHU-OUPRXKBMSA-N 432.564 5.549 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862594578 GORDGFPJETZASB-CJAUYULYSA-N 441.527 5.855 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2cccc(O)c2)cc1 1862661007 BENWLJTUSIVCJV-VWLOTQADSA-N 445.559 5.984 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccc(OCCC)c1 1862669525 YCUDKQXIDBLPBO-XMMPIXPASA-N 435.564 5.977 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2cccc(OC)c2)c1 1862702843 NOQXSOVHIVLBMP-QHCPKHFHSA-N 435.520 5.005 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862713191 JFDFOVFNDWHBAN-DCFHFQCYSA-N 447.534 6.488 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1cccc(F)c1)c1ccc2ccccc2c1 1862715936 UTEWSACONDUVQN-RUZDIDTESA-N 437.470 5.757 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCCC)=C(c2ccc(Br)cc2)C1=O 1863559690 ZAKYPIYSDPWORY-UHFFFAOYSA-N 449.433 5.669 30 10 IKEE CCC[C@@H](NC(=O)C[C@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866737173 AWPDRFBBXNDZMB-LOSJGSFVSA-N 433.596 5.735 30 10 IKEE CC(C)c1nc(Nc2ccccc2C#N)cc(N2C[C@H](C)N(c3ccccc3)[C@H](C)C2)n1 1868237652 BLFYFTHUMZWAFO-BGYRXZFFSA-N 426.568 5.319 30 10 IKEE C=CCn1cc(OCCCCOc2cccc(C)c2)c(=O)cc1CN(CCC)CCC 1870315066 BOUSHTHOBDCTIM-UHFFFAOYSA-N 426.601 5.203 30 10 IKEE C=CCOc1cn(CCc2ccc(F)cc2)c(CNc2ccc(F)c(Cl)c2)cc1=O 1870809432 BXWBNOACMKNGOU-UHFFFAOYSA-N 430.882 5.200 30 10 IKEE C=CCOc1cn(CCCOCC)c(CNc2cccc(OCc3ccccc3)c2)cc1=O 1870810235 SQDHFOFKIVYRKS-UHFFFAOYSA-N 448.563 5.031 30 10 IKEE CCCCCCCOc1cn(CCc2ccccc2)c(CNc2ccc(C)cc2C)cc1=O 1870830773 YNFCJRHKLHZJIX-UHFFFAOYSA-N 446.635 6.669 30 10 IKEE CCCCCCCOc1cn(CCc2cnc[nH]2)c(CNc2ccc(Cl)cc2)cc1=O 1870836883 ZMOLLQKGXOCRLY-UHFFFAOYSA-N 442.991 5.429 30 10 IKEE C=CCn1cc(OCC(=O)OC(C)C)c(=O)cc1CNc1cc(C(C)C)cc(C(C)C)c1 1870909091 QJILSPLHUNPFFE-UHFFFAOYSA-N 440.584 5.224 30 10 IKEE C=CCn1cc(OCC(=O)Nc2ccccc2C(C)C)c(=O)cc1CNc1ccc(C)cc1 1871172194 LHFUQCIDTKAJRT-UHFFFAOYSA-N 445.563 5.096 30 10 IKEE CCCOc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871388041 URMCPRWILRCHQX-MCBOVYRESA-N 440.495 6.175 30 10 IKEE Cc1cc(O)c(CN2CCCc3ccccc32)c2c1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O2 1871395073 FEQTWOPRMNQCDP-UCQKPKSFSA-N 442.471 5.178 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccc(C)cc4)ccc3C2=O)cc1 1871408040 PJNIMFMXTVDFPV-SDPDQUOZSA-N 443.499 5.416 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc(OCCOc4ccc(OC)cc4)c3C)C2=O)cc1 1871415249 XBTMUAVVXCWSAP-UQQQWYQISA-N 446.499 5.476 30 10 IKEE Cc1ccc(NC(=O)CCOc2ccc3c(c2C)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871430888 IIYAQADMPFQEJE-HAHDFKILSA-N 431.463 5.466 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 1871432156 WMVZRWZPHTXENE-VLZFXTDASA-N 445.490 5.773 30 10 IKEE Cc1cc(Cl)ccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1cccs1)C2=O 1871454542 PMDRADHFJPPXAH-JAIQZWGSSA-N 439.920 5.652 30 10 IKEE CC(C)(C)c1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(F)cc4)ccc3C2=O)cc1 1871456510 IUWLKVASGZKFTJ-OYKKKHCWSA-N 445.490 5.757 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1cccs1 1872302128 BNIFYTUWZZESDZ-GOSISDBHSA-N 441.018 5.084 30 10 IKEE Cc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3cccc(Cl)c3)cs2)c(C(C)(C)C)c1 1872767386 YSILGATYQDYFBK-GOSISDBHSA-N 438.980 6.325 30 10 IKEE CC(C)(C)c1ccc(-c2csc([C@H](C#N)C(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1 1872772580 FHWYBNGJVGCNSJ-QGZVFWFLSA-N 439.924 6.159 30 10 IKEE COc1cc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3cc(C)ccc3C)cs2)ccc1OC(C)=O 1872772723 RCMUDSLIMFSFQU-FHVRUZERSA-N 446.528 5.251 30 10 IKEE Cc1cc(OCC(=O)[C@@H](C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc(C)c1Cl 1872777698 UAVRFLXTYXSMIL-QGZVFWFLSA-N 435.936 5.817 30 10 IKEE COc1cc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)nc3)n2)c(OC)cc1Cl 1872783231 UZOVOQZBEURLFI-LBPRGKRZSA-N 434.304 5.019 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OCC(C)C)cc3)n2)c(OC)c1 1872783930 LTHISUOIUNIUTH-FQEVSTJZSA-N 436.533 5.352 30 10 IKEE CCCCCCCCNC(=O)c1cccc(CSc2ccc(Br)cc2)c1 1872891402 IBFKEMZVBFLTSL-UHFFFAOYSA-N 434.443 6.832 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@H](C)c2ccccc2)=C(c2ccccc2C)C1=O 1873103789 RZLHGSXUTXOGMS-HSZRJFAPSA-N 446.635 6.566 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1cccc2[nH]ccc12 1873503786 XQACCNQFERGCGK-BRJLIKDPSA-N 444.391 6.193 30 10 IKEE CCCCCCCCNC(=O)c1cc2c(N3CCC(C)CC3)ncnc2n1CCCC 1873580920 PNGWYDHWPWHZRK-UHFFFAOYSA-N 427.637 5.558 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C(C)(C)C)cc2)cc2c(N3C[C@H](C)C[C@@H](C)C3)ncnc21 1873666841 WRQWQZKSQKQLBV-RTBURBONSA-N 445.611 5.649 30 10 IKEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3ccc(F)c(Cl)c3)c(=O)oc2c1 1873909154 DFJOOMWTICHMKJ-UHFFFAOYSA-N 429.875 5.420 30 10 IKEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3ccccc3[C@@H](C)CC)c(=O)oc2c1 1873917676 SZEOZOLRMOTZFC-SFHVURJKSA-N 433.548 6.141 30 10 IKEE C=CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1cc(Cl)ccc1O 1874245264 WMZIGEDOWQBARF-AFUMVMLFSA-N 443.016 5.556 30 10 IKEE Cc1cccc(CSc2nnc(Cc3cccc4ccccc34)n2/N=C/c2ccc[nH]2)c1 1874269009 QJQBQKSGUUWYRI-OGLMXYFKSA-N 437.572 5.833 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3Cl)n2/N=C/c2ccccn2)c1 1874274463 HGKXNEKNHIQZHI-JVWAILMASA-N 447.995 5.595 30 10 IKEE CCOc1ccc(/C=N/n2c(CCc3ccccc3Cl)nnc2SCC)cc1OC 1874276491 OPLMCHCUHMKWSZ-BUVRLJJBSA-N 444.988 5.118 30 10 IKEE Clc1ccc(CCc2nnc(SCCc3ccccc3)n2/N=C/c2ccc[nH]2)cc1 1874283727 WROAXDMFUGANPD-YZSQISJMSA-N 435.984 5.262 30 10 IKEE CCCCC1CCC(c2nnc(SCc3cccc(F)c3)n2/N=C/c2ccc[nH]2)CC1 1874285651 RECBTLPHRAUHNZ-JVWAILMASA-N 439.604 6.384 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccc(C)cc3)n2/N=C/c2ccccc2)CC1 1874286185 SVVNZLXFKJMALZ-TURZUDJPSA-N 446.664 7.225 30 10 IKEE COc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2cccc(C)c2)cc1 1874416052 WHPTYSUURIVKNM-YZSQISJMSA-N 428.561 5.360 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2cccc([N+](=O)[O-])c2)cc1 1874425532 NOGDDKPGEHENHT-BUVRLJJBSA-N 429.505 5.336 30 10 IKEE Fc1ccccc1/C=N/n1c(SCc2cccc3ccccc23)nnc1[C@@H]1CCCO1 1874449720 KCZXHXVLLHHDSJ-WGLQLPMYSA-N 432.524 5.596 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2cc(C)ccc2C)nnc1[C@H]1CCCO1 1874450902 MXWLEPYIJMSJJD-VUEBRRCKSA-N 448.592 5.486 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C(F)(F)F)c1 1874463011 PEJMGGSQEONELX-NUGSKGIGSA-N 426.851 5.139 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2ccccc2F)nnc1-c1ccco1 1874467241 YXBAMYCAFDPXTQ-MFKUBSTISA-N 434.496 5.417 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccc(CC)cc2)n1/N=C/c1sccc1C 1874477703 GIDWFFLKTZMOAY-OEAKJJBVSA-N 441.626 5.166 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2ccccc2C)c1 1874486555 YIQICAUPSDRUJY-AFUMVMLFSA-N 435.597 5.015 30 10 IKEE COc1cc(/C=N/n2c(SCc3ccccc3)nnc2C2CCC2)cc(Cl)c1O 1874495544 QSRNTRQODGWETH-FSJBWODESA-N 428.945 5.088 30 10 IKEE CC(C)c1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1c[nH]c2ccccc12 1874514539 CLJSYWQIGRYRMA-OPEKNORGSA-N 427.936 5.850 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccccc2)c1OCc1c(F)cccc1Cl 1874578353 JTCJENRGJBYCAZ-ZHACJKMWSA-N 431.290 6.616 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(C)ccc2C)c1OCC(=O)Nc1ccc(C)cc1 1874580196 BUCOSLIGPGOQRC-NTCAYCPXSA-N 429.516 5.534 30 10 IKEE O=C(/C=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccc2c(c1)OCO2 1874582820 INGTZCBWOBFWKV-VAWYXSNFSA-N 442.898 6.697 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C)c(C)c2)c1OCC(=O)Nc1cc(C)ccc1C 1874588077 SWJGERNICUUGGS-BUHFOSPRSA-N 443.543 5.842 30 10 IKEE C[C@H](NC(=O)COc1cccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c1)c1ccccc1 1874593110 SFVHBUMFEYYCTI-UEBLJOKOSA-N 439.555 5.718 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OCC(=O)Nc1ccc(C)cc1C 1874595742 BFYDWMPEWKFDHW-IZZDOVSWSA-N 447.506 5.673 30 10 IKEE C[C@@H](NC(=O)COc1cccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c1)c1ccccc1 1874596891 IJHUGCBTBCYYRT-DILWRCETSA-N 441.571 6.136 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(Br)c1OCCO 1874603130 KJWIXAOIKTYZQU-JXMROGBWSA-N 441.321 5.268 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OCc1ccccc1 1874606042 RUNKHGZJNVMUEK-DHZHZOJOSA-N 443.326 6.486 30 10 IKEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3c(C)cc(C)cc3C)cc2OC)o1 1874635632 UTYCTBCOENUFOY-RMKNXTFCSA-N 434.488 5.475 30 10 IKEE O=C(Cc1ccc(F)cc1F)Oc1cccc(/C=C/C(=O)c2ccc3ccccc3c2)c1 1874692724 VBYVRTANIPFDQL-MDWZMJQESA-N 428.434 6.162 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1OC(=O)[C@H]1CCCO1 1874693173 QUUQLCOPTRVBIY-UVSKUAMOSA-N 428.484 5.343 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)CCc3ccccc3C)c2)cc1 1874694698 PRMRVZGNHCPEOW-LFIBNONCSA-N 428.528 6.000 30 10 IKEE CCCCCCCCC(=O)Oc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC 1874698427 WACKCNHPJAABQG-MHWRWJLKSA-N 439.508 6.156 30 10 IKEE COc1ccc(OCCCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C)cc3)c2)cc1 1874701698 GQKJGZPFBRRBKX-LICLKQGHSA-N 430.500 5.664 30 10 IKEE CCCCC1CCC(C(=O)Oc2cc(/C=C/C(=O)c3ccc(C)cc3)ccc2OC)CC1 1874702949 RULZWHXOTBERAU-GZTJUZNOSA-N 434.576 6.802 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cc(Cl)ccc3Cl)c2)cc1F 1874706931 HDURUNRHWOPGPS-WEVVVXLNSA-N 445.273 6.256 30 10 IKEE CCc1ccccc1OCC(=O)Oc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC 1874709378 CSVBCESYGPSSMC-RIYZIHGNSA-N 434.463 5.277 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1OC(=O)c1ccc(C)c(C)c1 1874710570 FMAFMCRJTLZKBB-FMIVXFBMSA-N 442.555 6.661 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2cccc(OC(=O)Cc3ccccc3)c2)cc1Cl 1874713632 GYXLPJUAUPZNHL-VAWYXSNFSA-N 436.891 5.401 30 10 IKEE CCCCCCCCC(=O)N1[C@H](C(C)(C)C)CSc2nnc(Cc3cccs3)n21 1874961232 URXQDJYEROVBGR-SFHVURJKSA-N 434.675 5.666 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(Br)c3)cc2)c1 1875102226 BKHULZMXPMWHJC-JLHYYAGUSA-N 437.289 5.573 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)C1CCCC1 1875124510 OJDZGOUBCPCRPL-ZHACJKMWSA-N 433.331 6.384 30 10 IKEE CCCCCCCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2ccc(C)cc2)cc1OC 1875133365 RHMNYPZAMSQULM-SAPNQHFASA-N 438.564 6.564 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2OC)cc1 1875150635 XPMVKKWBUHNTTF-OMCISZLKSA-N 444.527 6.117 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1ccccc1Cl 1875170239 NPFJQQWMYYVMTI-ZRDIBKRKSA-N 448.946 6.698 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2Cl)cc1C 1875175191 CUOXQNPYMJUEBO-YRNVUSSQSA-N 448.946 6.454 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)ccc1OC(=O)CCCSC 1875181959 FGSMPTWRIOQRAQ-VQHVLOKHSA-N 448.968 5.610 30 10 IKEE CCCN[C@H](C#Cc1cccs1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 1900751351 WWVXPGVBOWMQEY-QFIPXVFZSA-N 426.626 5.685 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@@H]1Nc1cc(Br)ccc1C#N 1924914646 OTWVUMQQQGJSPO-MAUKXSAKSA-N 434.378 5.206 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)CCC1(C)C 1934786726 FWIAWCSNKIIKKK-RUZDIDTESA-N 443.588 5.496 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1982205628 OOSUKHORBAHQQT-OYHNWAKOSA-N 435.952 5.279 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCC[C@@H]2NC(=O)OC(C)(C)C)c1 2031459548 SOQKZIAQJLYVSW-YADARESESA-N 445.560 5.166 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCC(C)(C)N(C(=O)OC(C)(C)C)C2)cc1 2038518498 DFSVSGBTBJWBIX-RUZDIDTESA-N 443.588 5.808 30 10 IKEE CC(C)(C)OC(=O)NCC[C@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C1 2038869404 MTMODPXMHNCBCO-CLOONOSVSA-N 449.636 5.924 30 10 IKEE C=C(c1ccccc1)[C@H](NCCC)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2076570485 ATPUTMPWWXXUPX-DQEYMECFSA-N 437.628 5.093 30 10 IKEE CC[C@@H](c1ccc(C)c(C)c1)n1nc(C2CCC2)c(/C=N/O)c1I 2079139966 DXPFYGJRSKQDJX-RYFGYPJOSA-N 437.325 5.180 30 10 IKEE N#Cc1c(C2CCCCC2)nn(Cc2ccc(C(F)(F)F)c(Br)c2)c1Cl 2080386411 IEVYWXKMBKXLFH-UHFFFAOYSA-N 446.698 6.285 30 10 IKEE COc1c2c(nc3c(-c4ccc(F)c(C(F)(F)F)n4)c(C(F)(F)F)nn13)CCCCC2 2081266694 ZEHKLNGKTYSQSU-UHFFFAOYSA-N 448.342 5.246 30 10 IKEE C#CC(C)(C)C[C@H](NCCC)c1ccc(I)c(Br)c1 2111303397 BIJGGYVGIIKZBI-HNNXBMFYSA-N 434.159 5.144 30 10 IKEE C=CCN(CC[C@H](NCCC)c1c(F)ccc(F)c1Br)C(=O)OC(C)(C)C 2155521711 RNPCTYYMLRRALJ-INIZCTEOSA-N 447.364 5.581 30 10 IKEE CC(C)(C)OC(=O)NCCCN(C[C@H](C#N)C1CCC1)c1cccc(Br)c1 2174565305 LXKPYJQJGZYSPS-KRWDZBQOSA-N 436.394 5.110 30 10 IKEE Cc1sc([C@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)c(Br)c1C 2209066548 CABRMHVVDAUQJV-INIZCTEOSA-N 435.387 6.129 30 10 IKEE C=C[C@H](C)C[C@H](NC)c1sc(Br)c(Br)c1Br 2212201142 UFRKSJHSZFPEQN-BQBZGAKWSA-N 432.019 5.508 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)c1cscc1OCc1ccccc1 2227493820 RUXSXVIBISXSJS-NRFANRHFSA-N 426.379 5.792 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Cl)cc1[C@H](N)C#Cc1ccccc1Br 2232083460 HKIKYZPILWHZGJ-QGZVFWFLSA-N 435.749 5.501 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)c1csc(CNC(=O)OC(C)(C)C)c1 2235726314 OZHQDUBSACFIPZ-LJQANCHMSA-N 449.414 5.238 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)c1sccc1CNC(=O)OC(C)(C)C 2235731450 QLMYZLXQFHKPSZ-SFHVURJKSA-N 449.414 5.238 30 10 IKEE CCCCCCCC[C@@H](N)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237399311 QVXBBIHDKDEKPN-UXHICEINSA-N 441.454 5.963 30 10 IKEE C=C(CC)C[C@H](NCCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237408287 CWHXWXAKRARXAC-PMACEKPBSA-N 439.438 5.609 30 10 IKEE C=CC1(Oc2ccnc3ccc(Br)cc23)CCN(C(=O)OC(C)(C)C)CC1 2285320693 MNAKBMSDDHCTLC-UHFFFAOYSA-N 433.346 5.332 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H](CNc2cc(Br)c(C#N)cc2F)CC1 2295179139 DCPAMHHUDKMLPS-CQSZACIVSA-N 440.357 5.299 30 10 IKEE C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC(=Cc1ccc(OC(F)F)cc1)C2=O 2297329624 UILXPFRZQGQVFT-FGUKHNOKSA-N 442.546 6.174 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1cccc(OCC(C)C)c1 2318573898 ADKGZJYDVNBUFT-UHFFFAOYSA-N 426.561 5.579 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)C=Cc2ccc(C(C)C)cc2)nc2c(C)cccc12 2320450675 BFRVNRXAZSAHKC-UHFFFAOYSA-N 435.531 5.684 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=CC=Cc1ccccc1)O3)CN(Cc1ccc(F)cc1)CO2 2322052183 IXDWTQJXTHKEBH-UHFFFAOYSA-N 427.475 5.659 30 10 IKEE CCOC(=O)c1ccc(COc2ccc3ccccc3c2C=CC(=O)c2ccc(F)cc2)o1 2322748097 XXQVSZVVLHTUFB-UHFFFAOYSA-N 444.458 6.224 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cc(Cl)ccc1OCCc1ccccc1 2322775083 LQAZADCTKLFROG-UHFFFAOYSA-N 448.990 7.164 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)NC2CCCCC2)c2ccccc12 2323009147 YTMMHGPBGUAEPX-UHFFFAOYSA-N 443.543 5.572 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccccc1OCC(=O)NC1CCCCC1 2323022145 BWJFDQKKVKMHRH-UHFFFAOYSA-N 427.928 5.072 30 10 IKEE COc1ccc(C=CC(=O)c2cccc3ccccc23)cc1OCc1ccc([N+](=O)[O-])cc1 2323202720 DIAZSIYGHAVOPY-UHFFFAOYSA-N 439.467 6.232 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OCc1ccc(F)cc1 2323421688 YWNHLTQNXZXCEV-UHFFFAOYSA-N 446.518 6.197 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OCc1ccccc1 2323512023 RUNKHGZJNVMUEK-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)cc1C 2323559716 IYBBKNZMPGYOIG-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)ccc1OCC(=O)NCc1ccccc1 2323620095 SUGSSMGYDVMAPZ-UHFFFAOYSA-N 449.934 5.330 30 10 IKEE Cc1cc(OC(=O)CCc2ccccc2)cc2c1C(=O)C(=Cc1cn(C)c3ccccc13)O2 2323721177 UGLXKSMNJPNEIW-UHFFFAOYSA-N 437.495 5.641 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OCC(=O)Nc1cc(C)cc(C)c1 2323813834 GYIMPAMYSHTLKG-UHFFFAOYSA-N 429.516 5.616 30 10 IKEE C[C@@H](NC(=O)COc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1)c1ccccc1 2324055329 UXQMWOWMZDLZMY-OAQYLSRUSA-N 441.571 6.136 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OCc1cccc2ccccc12 2324195034 REIKVIQNVNFRDU-UHFFFAOYSA-N 426.487 6.853 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(OCC)cc3)n2)cc1 2324404211 IMWJABWYWMVWMS-QHCPKHFHSA-N 430.573 6.441 30 10 IKEE COc1cc(C(=O)C=Cc2ccc(OCc3cccc(F)c3)cc2)c(OC)cc1Cl 2324405865 KUKIJPKBPIOSTQ-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccccc2)C3=O)cc1 2324451892 PKOGRAMKXKJDQO-QGZVFWFLSA-N 429.472 5.026 30 10 IKEE COc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)OC(=Cc1cccs1)C2=O 2324473715 UDZTZZQCFGTBTL-OAHLLOKOSA-N 435.501 5.087 30 10 IKEE COC(=O)c1cccc(COc2ccc3c(c2C)OC(=Cc2ccc(Cl)cc2)C3=O)c1 2324748295 HIQYFUVDBXVWIY-UHFFFAOYSA-N 434.875 5.630 30 10 IKEE COC(=O)c1ccc(C=C2Oc3cc(OCc4cc(C)c(C)cc4C)ccc3C2=O)cc1 2324762465 DGXFOACNZOPTGB-UHFFFAOYSA-N 428.484 5.594 30 10 IKEE CC(C)Oc1ccc(C=C(C(=O)Nc2sc3c(c2C#N)CCC3)c2ccccc2)cc1 2325180439 XWPXEBALHCMYTC-UHFFFAOYSA-N 428.557 6.075 30 10 IKEE Cc1c(OCc2ccccc2C#N)ccc2c1OC(=Cc1ccc(Cl)cc1Cl)C2=O 2325357794 QOQMEUOCUWKHJX-UHFFFAOYSA-N 436.294 6.369 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4nc5ccccc5s4)ccc3C2=O)o1 2325418666 XEZVDVZHJCSSKL-CQSZACIVSA-N 446.484 5.220 30 10 IKEE O=C(C=Cc1ccc(Cl)cc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1 2325485598 AOOYLVIMHPSJKR-UHFFFAOYSA-N 426.299 5.793 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1N=Cc1cn(C)c2ccccc12 2325528830 PZIUEICJYOVZJY-UHFFFAOYSA-N 438.000 5.940 30 10 IKEE Cc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc4ccccc4c3)c2)cc1C 2325700186 LFYCOCODRKWGNF-UHFFFAOYSA-N 436.507 6.337 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1OC(=O)c1cccc(Cl)c1 2325725537 UZKHTPJRASOWDH-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC(=O)CCc2ccccc2)c1 2325752828 YFQGGRBAENTPHE-UHFFFAOYSA-N 442.555 6.427 30 10 IKEE O=C(Cc1ccccc1F)Oc1cccc(C=CC(=O)c2cc(Cl)ccc2Cl)c1 2325773609 UZJIHJBWALVKBK-UHFFFAOYSA-N 429.274 6.177 30 10 IKEE CSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1c(F)cccc1Cl 2325926350 HXMWSXGQYDDDPU-UHFFFAOYSA-N 439.741 5.028 30 10 IKEE CCn1cc(C=Nn2c(C)nnc2SCc2c(Cl)cccc2Cl)c2ccccc21 2326514648 GKNZBKNEUXWKGA-UHFFFAOYSA-N 444.391 6.042 30 10 IKEE CCCOc1cccc(C=Nn2c(COc3ccc(OCC)cc3)nnc2SCC)c1 2326660302 JROYPVZMLSXTBQ-UHFFFAOYSA-N 440.569 5.039 30 10 IKEE C=CCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc([N+](=O)[O-])cc1 2327770638 BRALGINRPDUYAX-UHFFFAOYSA-N 429.505 5.091 30 10 IKEE Clc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2N=Cc2ccco2)cc1 2329129353 VUDWHIFXPOJKDK-UHFFFAOYSA-N 443.359 5.943 30 10 IKEE COc1ccc(C=Nn2c(CCc3cccs3)nnc2SCc2ccccc2C)cc1 2329635509 WRDVRXSBJKLDGT-UHFFFAOYSA-N 448.617 5.616 30 10 IKEE Cc1ccccc1CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1cccc(O)c1 2330057755 MCVAVUNPEWBWRJ-IBGZPJMESA-N 428.561 5.618 30 10 IKEE Fc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2-c2cccs2)cc1 2330597169 CPXLINYYDZASOQ-UHFFFAOYSA-N 428.945 5.974 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)c1 2330625195 IEEGSQAUNGFREH-UHFFFAOYSA-N 449.890 5.909 30 10 IKEE COc1cccc(C=Nn2c(SCc3cccc(C)c3)nnc2-c2ccccc2)c1O 2330646832 FRQICJXLFHOHQL-UHFFFAOYSA-N 430.533 5.142 30 10 IKEE Cc1ccccc1C=Nn1c(CC(C)(C)C)nnc1SCc1c(Cl)cccc1Cl 2330856517 BKEUHZJCJHLYSU-UHFFFAOYSA-N 447.435 6.656 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3ccc(C)cc3)nnc2C2CCCC2)c1 2331019342 OGJSTPBCQYOXOZ-UHFFFAOYSA-N 434.609 6.207 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)C(F)(F)F)cc2)cc1OCCC 2331109088 UOGRYJNDESMOAX-UHFFFAOYSA-N 436.426 5.628 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)c1ccccc1C 2331115947 ROWOUUJIQFXIPJ-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 2331232568 HWWJBCGWCLNJEP-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(OC)c(OC(=O)c2cccs2)c(OC)c1 2331353890 ITYGTRJOILHWLD-UHFFFAOYSA-N 438.501 5.198 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2cccc(Cl)c2)c1 2331377152 QDMCEYCVDHAALM-UHFFFAOYSA-N 441.988 5.150 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)c1cccs1 2331493129 ZQEYEDJGGWOFDL-UHFFFAOYSA-N 436.529 6.004 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CCC2)c1 2331541569 FXSUBIATIJPTEG-UHFFFAOYSA-N 426.973 5.772 30 10 IKEE CC(=O)Oc1ccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1Br 2331595167 UZDUBCCJQAQPIW-UHFFFAOYSA-N 437.289 6.063 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)ccc1OC(=O)C1CCCC1 2331752087 QGVBJYCXPWQGEH-UHFFFAOYSA-N 442.939 6.047 30 10 IKEE CCc1csc(C#CC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2Br)n1 2338647896 JRHHTASWPCRKTI-UHFFFAOYSA-N 435.343 5.049 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)cn1 2339587032 OFZNERWTOFJTTK-UHFFFAOYSA-N 438.337 5.212 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NC)c1c(C)c(C)c(Br)c(C)c1C 2345961349 IKHBJHAIKROXSW-APWZRJJASA-N 425.411 5.413 30 10 IKEE CC[C@H](NCc1csc(Br)c1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363838561 KZBQSVCITIVCQU-KRWDZBQOSA-N 436.224 5.051 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(O)cc2)cc1 20882740 SBPCEQFWRGDIGQ-WTYVLRPYSA-N 440.543 6.161 30 10 IKEE CC(C)COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccnc2)cc1 21259655 DLUQIULSYSVAFW-PIKZIKFNSA-N 439.559 6.096 30 10 IKEE CC1(C)[C@H](/C=C(\Cl)C(F)(F)F)[C@@H]1C(=O)O[C@@H](C#N)c1ccc(Oc2ccccc2)cc1 33846494 DFVKOWFGNASVPK-RDDWSQKMSA-N 449.856 6.544 30 10 IKEE C=CCOC(=O)C1=C(C)N(Cc2cccc(Cl)c2)C(=O)C[C@H]1c1ccccc1Cl 37280138 BXVCNSLZTHRPOM-IBGZPJMESA-N 430.331 5.513 30 10 IKEE C=CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc1 39838164 ZMSWEFDRWGAIFA-DEOSSOPVSA-N 438.483 5.119 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(N(C)C)cc1)C3=O)CN([C@H](C)c1ccccc1)CO2 41589364 ACXBFRMOQMVMJJ-LPANUZLBSA-N 440.543 5.590 30 10 IKEE Cc1ccc(-c2nc(-c3ccc(Cl)cc3)sc2/N=C(\N)c2ccc(Cl)cc2)cc1 53994191 NJZZGGKVTOZGHI-UHFFFAOYSA-N 438.383 7.129 30 10 IKEE CCCCCCCCCCCCCCCCCCOC(=S)N[C@H]1CCS(=O)(=O)C1 59568235 VLDCSFPNTXCRKY-QFIPXVFZSA-N 447.751 6.326 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3ccco3)C4)C2=O)cc1 62977263 ZSWQHTNDEFQPML-CFRMEGHHSA-N 444.531 5.403 30 10 IKEE C=C(C)[C@@H](C)CC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CC[C@@H](C)C(=C)C 85598904 LYHFPFHWBXEUPX-YHHVXECDSA-N 438.784 11.097 30 10 IKEE in-vitro CCCCCCCCCCCCCCCCNC(=O)CNc1ccccc1OCCCC 100087500 VMJKRWQNCRALQQ-UHFFFAOYSA-N 446.720 7.875 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2cccc(OCCCC)c2)cc1 100229130 FVTOLDGBORCILZ-UHFFFAOYSA-N 442.625 6.342 30 10 IKEE Cc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2c1/C(=N\Nc1ccccc1)CC(C)(C)C2 101108856 IHBMBUFDRJZVBG-VEILYXNESA-N 431.492 5.358 30 10 IKEE CCCCCCCCCCCCn1c([C@H](C)NC(=O)c2cccs2)nc2ccccc21 102134671 ORQBPVCOJQMFIU-NRFANRHFSA-N 439.669 7.510 30 10 IKEE CCCCCCCCCCCCn1c(COc2ccccc2Cl)nc2ccccc21 102185317 SYNCUCFOELXYSR-UHFFFAOYSA-N 427.032 8.190 30 10 IKEE CCCCCCCCC(=O)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(C)C 102995408 QXBSUNKJKMNZII-UHFFFAOYSA-N 440.628 5.839 30 10 IKEE Cc1ccc([C@H]2/C(=C(/O)c3ccco3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 103105031 FEGKTRBVPUAEJG-LCPUNJGISA-N 430.485 5.132 30 10 IKEE CCCc1nc2scc(-c3ccc(C(C)(C)C)cc3)c2c(=O)n1Cc1cccc(C#N)c1 169904660 NBDSVVVPTSQYKN-UHFFFAOYSA-N 441.600 6.295 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 169974945 PLDQFJRUINHDDN-XMMPIXPASA-N 441.527 5.776 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2cccnc2)c1 170012660 NDMUNHHVDXKQOY-QFIPXVFZSA-N 432.907 5.130 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1ccc(F)cc1 170064474 BBWCVUNLMYASTC-QHCPKHFHSA-N 437.417 5.206 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 170074654 WGMOOYDAIQNXKY-DEOSSOPVSA-N 449.466 5.138 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccco1 170094072 CYKLTOXNIBIUAK-NRFANRHFSA-N 441.405 5.400 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@H]1c1cccc(OC)c1 170121146 CNOVQWBAZCRLPG-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1ccccc1OC 170125758 OENSMCISZFMAHN-DEOSSOPVSA-N 449.591 6.070 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)(C)C)c2)[C@@H]1c1ccccc1 170232847 AMZVRWVKTRJZRP-DEOSSOPVSA-N 449.591 6.151 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccc(F)cc1 170240346 IHGSHETULOVRHR-FYSMJZIKSA-N 443.474 5.240 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(C(C)C)cc1 170245866 LAYRJWNVEHMGAE-QFIPXVFZSA-N 436.508 5.487 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2F)ccc1F 170246905 CWGAAINDMGQBNX-HXUWFJFHSA-N 425.456 5.113 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1ccccc1F 170253308 JETFFDKBVTVMSD-QHCPKHFHSA-N 437.555 6.200 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccc(O)c2)cc1 170259900 YYEYTXSCGGSRGI-XMMPIXPASA-N 443.499 5.272 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(CC)cc2)cc1 170266640 JXOJLFJQURIWBY-RUZDIDTESA-N 447.575 5.949 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccco2)c1 170286997 KTRJTPJRFHOGCX-LJQANCHMSA-N 444.270 5.378 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@@H]2c2ccc(C)o2)c1 170300616 PCBFUVINCGANNR-HSZRJFAPSA-N 431.488 5.332 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1C1CCCCC1 170317524 XXAWHVOTNKBKQQ-JOCHJYFZSA-N 431.557 6.121 30 10 IKEE CC(=O)Oc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(C)c(C)c2)c1 170408314 HDJZQFOFHHNYKV-JOCHJYFZSA-N 447.512 5.073 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2nc3cc(F)c(F)cc3s2)[C@@H]1c1cccs1 170477040 LVKCIQNEHMNJPZ-QGZVFWFLSA-N 434.489 5.151 30 10 IKEE CCN1C(=O)/C(=C2\C=Cc3ccccc3N2CC)SC1=Nc1ccc2sc(C)nc2c1 252589391 AKHOKHGINBMDAY-OIHKMWOHSA-N 446.601 5.952 30 10 IKEE COc1ccc(N=C2S/C(=C/c3cccc(F)c3)C(=O)N2c2ccc(OC)cc2)cc1 252597781 CVLCOTMAMDSXPO-MUJYFGONSA-N 434.492 5.652 30 10 IKEE CCOc1cc([N+](=O)[O-])cc(C=Nc2ccc(O)c(-c3nc4cc(C)ccc4o3)c2)c1O 254352989 RYHYKWNHYLVRBJ-UHFFFAOYSA-N 433.420 5.272 30 10 IKEE C[C@@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](C(=O)COC(=O)c3ccccc3)CC[C@H]12 504153360 RSZHYTMCURJIHZ-XJAVJXKMSA-N 434.576 5.561 30 10 IKEE Cc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 526491226 MVFMUBNPAXWLRA-JOCHJYFZSA-N 445.862 5.486 30 10 IKEE CCCOc1ccc(/C=N\n2c(C)nnc2SCc2ccccc2F)cc1OCC 526802150 AJBFDLMSSIFULN-OYKKKHCWSA-N 428.533 5.088 30 10 IKEE COc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccc(C)cc2)cc1 526806087 YDZWGBJKFPXXEL-ONUIUJJFSA-N 428.561 5.360 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1ccc(OCC(C)C)cc1 526806118 YORAPXABIFHJEX-QQXSKIMKSA-N 436.625 6.138 30 10 IKEE COc1ccc(Br)cc1/C=N\n1c(C)nnc1SCc1ccc(C)cc1C 526810829 OKVDEBULZQCXGR-JJFYIABZSA-N 445.386 5.149 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@](C)(C#N)COCc1ccccc1 698450352 DOSZQIJPKCTPMB-QFIPXVFZSA-N 445.357 5.690 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(Br)ccc1F 698487855 VVEBRNNNAJQPHQ-KRWDZBQOSA-N 435.293 5.603 30 10 IKEE C[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)CCN1C(=O)OC(C)(C)C 698830767 LKNGYOXAVLKJOL-MWTRTKDXSA-N 449.979 5.763 30 10 IKEE CCCN[C@H](CC#CC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 705509579 FWVITJOTMPBZRV-YMPZKCBVSA-N 430.633 5.293 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(C)ccc(Br)c1F 721200508 QUTIBHNYVLUUMG-QAPCUYQASA-N 429.374 5.407 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c3ccccc3)[C@H]1C2 721747196 MYQIDFXQPYIDEQ-BSWQBHCVSA-N 441.572 5.500 30 10 IKEE CCN1C(=O)C[C@H](C(=O)Nc2ccc(C)c(Cl)c2)SC1=Nc1ccc(Cl)cc1 1084566077 UWEDZZVLLQVZPQ-QGZVFWFLSA-N 436.364 5.282 30 10 IKEE COc1ccc(O)c(C=Nc2cc(C(F)(F)F)ccc2N2CCc3ccccc3C2)c1 1084599362 JCSNNIFWRLFZFM-UHFFFAOYSA-N 426.438 5.733 30 10 IKEE CSc1ccccc1N/C(=N/C1CCC(CC2CCC(N)CC2)CC1)N1CCCCC1 1088665240 SEMORQIIRKVEOZ-UHFFFAOYSA-N 442.717 6.129 30 10 IKEE C/C(=N\Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1sc2ccc(Cl)cc2c1C 1615714164 GZPIJBQEAXIOAK-AUEPDCJTSA-N 427.835 6.626 30 10 IKEE O=C1N=C(NN=Cc2ccccc2)S/C1=C\c1ccc(-c2cc(Cl)cc(Cl)c2)o1 1772724407 SYJDLAVALMEKLP-NVILHAHHSA-N 442.327 5.847 30 10 IKEE C=CCOc1ccc(/C=C2/SC(=Nc3nc(C)cs3)N(c3ccccc3)C2=O)cc1 1772739414 RGAGBZRUBNCXEW-SKYIDQJDSA-N 433.558 5.825 30 10 IKEE Cc1ccccc1-c1nc2sc3c(c2c(=O)n1Cc1cccc(C#N)c1)CC[C@@H](C)C3 1857803161 DABNKHWNQKVPBH-MRXNPFEDSA-N 425.557 5.478 30 10 IKEE N#Cc1c(NC(=O)c2cccc(-c3nc4cc(Cl)ccc4o3)c2)sc2c1CCCC2 1859743113 ZCXFFWLZDHQBOR-UHFFFAOYSA-N 433.920 6.212 30 10 IKEE O=C(/C=C/c1ccccc1Br)C(=O)Nc1ccc(OCc2ccccc2)cc1 1860725926 BXSKRCCLWZENKZ-XNTDXEJSSA-N 436.305 5.249 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(OCC)cc1 1862384614 WJIWGXCQOAWWAD-IBGZPJMESA-N 434.319 5.380 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccccc2)cc1 1862441263 DBBJTTZHGXCPGV-QHCPKHFHSA-N 431.919 5.469 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(C)c1 1862442218 HIRBSFOTBUQWLD-FYYLOGMGSA-N 439.983 6.586 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc(F)cc2)ccc1F 1862502086 QUSGJZZSPMEAKY-UPNLOYSTSA-N 425.475 5.430 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc(F)cc2)ccc1F 1862502087 QUSGJZZSPMEAKY-ZFGLAFRWSA-N 425.475 5.430 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(F)cc1 1862529168 CBNZRCQXDLPPPY-HSZRJFAPSA-N 439.527 5.173 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@H]2c2cccc(C)c2)cc1 1862533652 NLKINSIVBTWDJV-DEOSSOPVSA-N 445.946 5.989 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(F)cc1 1862617071 UNHDLVUYIHOKLA-QFIPXVFZSA-N 439.527 5.128 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 1862667659 HPFDUGVDKNBSFI-OAQYLSRUSA-N 446.374 6.351 30 10 IKEE CC(C)(C)c1ccccc1NC1=C(c2cccs2)C(=O)N(c2cccc(C#N)c2)C1=O 1863113052 NSDIFJWCEDLQLX-UHFFFAOYSA-N 427.529 5.314 30 10 IKEE CCCCCCCCNC1=C(c2ccc(OC)cc2)C(=O)N(CCc2ccc(C)cc2)C1=O 1863673427 JGNNHOAXFUAAQE-UHFFFAOYSA-N 448.607 5.276 30 10 IKEE CC[C@@](C)(NC(=O)C[C@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866743690 FBFNITCKYCJMSS-RPLLCQBOSA-N 433.596 5.735 30 10 IKEE C=CCN(CC=C)c1cc(N(C2CCCCC2)C2CCCCC2)nc(Cc2ccccc2)n1 1867943972 ZNXLVRGSSJWHCR-UHFFFAOYSA-N 444.667 6.718 30 10 IKEE CCCN(CCCN(C)C)c1cc(Nc2ccc(C#N)cc2)nc(-c2ccccc2C)n1 1868311224 NATOPZSZRGXBIP-UHFFFAOYSA-N 428.584 5.235 30 10 IKEE C=CCN(CC=C)c1cc(N2CCO[C@H](c3ccccc3)C2)nc(-c2ccc(Cl)cc2)n1 1869263905 CNTJAIIPNGTQDW-QHCPKHFHSA-N 446.982 5.553 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)Nc2ccc(C)c(Cl)c2)c(=O)cc1C 1870086732 OCAXQTWJPLQMQH-UHFFFAOYSA-N 447.019 6.277 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCc2ccccc2)c(=O)cc1CSCC 1870168220 JWENTQQEQWHWCT-UHFFFAOYSA-N 445.625 5.584 30 10 IKEE CCCCN(CC)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1Cc1ccccc1C 1870348443 YPYBCNWXRUKPGV-UHFFFAOYSA-N 443.591 5.278 30 10 IKEE C#CCOc1cn(CC(C)C)c(CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1=O 1871005067 NGPGSLABWMMKKH-UHFFFAOYSA-N 446.391 5.166 30 10 IKEE CCCCCCCCCCn1cc(OCCCC)c(=O)cc1CNc1ccc(F)c(F)c1 1871112540 IOTZMRARYZCVIL-UHFFFAOYSA-N 448.598 7.058 30 10 IKEE CCc1ccc([C@@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2cccc(C)c2)C4=O)cc1 1871354735 ZKXGAPCXXIJZIR-APQFFPOMSA-N 425.528 6.087 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)Cc4ccc(Cl)c(Cl)c4)ccc3C2=O)o1 1871376857 HQHLWCIKUDUHJN-JAIQZWGSSA-N 429.255 5.659 30 10 IKEE COC(=O)c1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2)C3=O)cc1 1871382290 RWFFYINFGZPBDW-RMDJZQFNSA-N 440.451 5.017 30 10 IKEE COc1ccc(-c2c(C)oc3cc(OCc4ccccc4C#N)c(OC)cc3c2=O)cc1 1871437064 HLZIIKFRZUOQHR-UHFFFAOYSA-N 427.456 5.236 30 10 IKEE Cc1cc(OCC(=O)Nc2nc3ccccc3s2)cc2c1C(=O)/C(=C/c1ccccc1)O2 1871442492 PNHMCZVNAPBCPA-NDENLUEZSA-N 442.496 5.238 30 10 IKEE Cc1cc(OCC(=O)Nc2nccs2)cc2c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O2 1871442733 RIMMHHGKZLNVRL-NDENLUEZSA-N 448.544 5.383 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OCCC(=O)Nc4ccccc4)c3C)C2=O)c1 1871447581 YOAQMRDXCKQKJN-KQWNVCNZSA-N 429.472 5.027 30 10 IKEE C=CCN(CC=C)c1nc(=NCC(C)C)nc(Nc2ccc(OCCCCCC)cc2)[nH]1 1871609691 MYZKIHWVOSDWDS-UHFFFAOYSA-N 438.620 5.243 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(-c2ccccc2C)cc1)[C@@H](C)CC)S(=O)(=O)CCC 1872217778 VOFNRYIZJLIILT-CYFREDJKSA-N 442.625 5.243 30 10 IKEE CC(C)c1ccccc1O[C@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872759944 DAWHCFXRSPPTGS-JPYJTQIMSA-N 444.600 6.456 30 10 IKEE N#C[C@H](C(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc3ccccc3c2)cs1 1872760095 HDWRHXFGQWTVFG-GOSISDBHSA-N 433.876 6.015 30 10 IKEE N#C[C@H](C(=O)COc1ccc(Cl)cc1Cl)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1872760130 HZLZSUZVZXRIBC-CQSZACIVSA-N 448.287 5.280 30 10 IKEE CCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 1872763390 LAHWFKLUYQVWOD-KRWDZBQOSA-N 427.323 5.461 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3c(C)cccc3C)n2)cc1 1872770552 XMVSVWJBZUBRFC-QFIPXVFZSA-N 448.588 6.251 30 10 IKEE CC(C)(C)c1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3cccc([N+](=O)[O-])c3)n2)cc1 1872772873 IZUHIEMUCOIXSP-ACGJQVIASA-N 431.517 5.905 30 10 IKEE COc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1OC 1872778650 PVABOHPCQJYXQJ-JCOOBLOPSA-N 446.572 5.951 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@@H](C#N)C(=O)Cc2ccc(OC(C)C)cc2)n1 1872780251 DJRSAPDHJAKVOO-NRFANRHFSA-N 434.561 5.642 30 10 IKEE CCCCN(CCCC)CC(=O)[C@@H](C#N)c1nc(-c2ccc(NC(C)=O)cc2)c(C)s1 1872797504 MEBMTYBEALWECZ-OAQYLSRUSA-N 440.613 5.155 30 10 IKEE C=CCc1ccccc1OCc1cccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 1872833786 AKSBDROUJPXGGY-UHFFFAOYSA-N 427.422 6.145 30 10 IKEE CC1CCN(c2ccc(NC(=O)c3cccc(COc4ccc(C#N)cc4)c3)cc2)CC1 1872847388 JRFCVMFCRYKIFT-UHFFFAOYSA-N 425.532 5.626 30 10 IKEE CCCCCCCCCCN1C[C@@H](C(=O)N2CCc3c([nH]c4ccc(F)cc34)C2)CC1=O 1872997110 BAMPVAUUZUAOBE-IBGZPJMESA-N 441.591 5.181 30 10 IKEE CCCCCCCCNC1=C(c2ccc(F)cc2)C(=O)N([C@@H](CC)CCCCC)C1=O 1873137857 QLKYWWHAHOFAGU-QFIPXVFZSA-N 430.608 6.215 30 10 IKEE CCCOc1ccc(/C=N/Nc2oc([C@@H]3C[C@@H]3c3ccccc3)nc2C#N)cc1OCC 1873470284 DVHDFXMCQVEHIX-VOEJCJGRSA-N 430.508 5.451 30 10 IKEE CCCCCCCCNC(=O)c1cc2c(N(CCC)CCCC)ncnc2n1CCC 1873571830 GSAHEWZNSOEUIO-UHFFFAOYSA-N 429.653 5.948 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C(C)(C)C)cc2)cc2c(N3C[C@@H](C)C[C@H](C)C3)ncnc21 1873666840 WRQWQZKSQKQLBV-OALUTQOASA-N 445.611 5.649 30 10 IKEE COc1ccc(OCc2nnc(SC)n2/N=C/c2ccccc2Cl)c(C(C)(C)C)c1 1874194571 WJCWREPAKAIYOX-ZMOGYAJESA-N 444.988 5.421 30 10 IKEE CCCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccccc1F 1874217927 MYWXULSDTPWNKR-WYMPLXKRSA-N 432.952 5.651 30 10 IKEE C=CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1cccc(OC)c1 1874218122 VWCUDENTBSXZOF-ZMOGYAJESA-N 442.972 5.296 30 10 IKEE CCOc1cccc(/C=N/n2c(CCc3cccc4ccccc34)nnc2SCC)c1 1874231787 AWOZAJGMHAKVBE-NLRVBDNBSA-N 430.577 5.609 30 10 IKEE C=CCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1c[nH]c2ccccc12 1874234248 YQGOVEDNVLYXOL-MTDXEUNCSA-N 437.572 5.858 30 10 IKEE CCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccccc1[N+](=O)[O-] 1874244706 MHJXNGBEBGYPLC-BUVRLJJBSA-N 439.585 5.330 30 10 IKEE C=CCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1cccc2ccccc12 1874247771 VLIUTIFVNWTTJH-ZXVVBBHZSA-N 442.588 5.912 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccc(C)cc3)n2/N=C/c2cccs2)cc1 1874302436 YZNXFBCYGYIFAU-PCLIKHOPSA-N 448.617 5.812 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccccc3F)n2/N=C/c2ccccc2)cc1 1874303433 YMDZDPBMWLEQRL-WPWMEQJKSA-N 446.551 5.581 30 10 IKEE Fc1cccc(CSc2nnc(Cc3ccc(Cl)cc3)n2/N=C/c2ccccn2)c1 1874336960 QKSMXVAMLCTTIP-VULFUBBASA-N 437.931 5.231 30 10 IKEE CCCCOc1ccc(/C=N/n2c(Cc3ccc(C)c(C)c3)nnc2SC)cc1OC 1874356239 YOHYEUSMWWRTMP-PCLIKHOPSA-N 438.597 5.277 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2C)n1/N=C/c1ccc(C(C)(C)C)cc1 1874362699 RSKSWKLWFQPGAD-WPWMEQJKSA-N 432.637 6.220 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccccc1 1874393743 VEHCDVDPHJMVRN-OAKZWBAKSA-N 443.532 5.513 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccccc3Cl)nnc2-c2cccs2)c1 1874422486 OPHONFQNUNPZCW-YDZHTSKRSA-N 440.981 5.843 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2ccc[nH]2)cc1Cl 1874430283 BAVFMAPSXPUPPV-WYMPLXKRSA-N 428.348 5.755 30 10 IKEE CCCOc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2cccc(F)c2)cc1 1874439165 NFQFLRCFRBJLBX-WGOQTCKBSA-N 440.588 5.969 30 10 IKEE CCCSc1nnc(CC(C)(C)C)n1/N=C/c1ccc(OCc2ccccc2C)cc1 1874440054 GXCQRTGHPSWBTP-YZSQISJMSA-N 436.625 6.138 30 10 IKEE Clc1ccc(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2cccs2)c(Cl)c1 1874450963 OIGHRMUOJPUIAL-CTJICSLTSA-N 439.393 5.672 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2-c2ccco2)c1 1874468731 VRIKVLTXPWDHJF-ZVHZXABRSA-N 438.940 5.765 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1/N=C/c1cc(Br)ccc1O 1874476140 HKRAEDLXACCLBM-LPYMAVHISA-N 445.386 5.263 30 10 IKEE C=C(C)CSc1nnc(CCCC)n1/N=C/c1ccc(OCCCCC)c(OCC)c1 1874476188 IVSINYZLEJIYRL-KOEQRZSOSA-N 444.645 6.139 30 10 IKEE C=C(C)CSc1nnc(CCCC)n1/N=C/c1ccc(OCCCCC)c(OC)c1 1874476434 OXGAEAQPFRYFHG-LFVJCYFKSA-N 430.618 5.749 30 10 IKEE Cc1ccccc1/C=N/n1c(SCC(=O)Nc2cccc(C)c2C)nnc1C(C)(C)C 1874483122 FSGXBHSDWMCIGU-AFUMVMLFSA-N 435.597 5.114 30 10 IKEE O=[N+]([O-])c1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2Cl)nnc1C1CC1 1874523132 XXCWDNNSFDRBSY-LSHDLFTRSA-N 448.335 5.545 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C)cc2C)c1OCc1nc(O)c2ccccc2n1 1874578998 RLJNYNVEBRNBLL-WYMLVPIESA-N 440.499 5.436 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cc(Cl)ccc2OCc2cccc(F)c2)c1 1874581159 ZRYFBCIKKLCYNA-RMKNXTFCSA-N 426.871 5.971 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl 1874581179 AMIBYDCJFGTEGX-VQHVLOKHSA-N 445.317 6.925 30 10 IKEE Cc1ccccc1COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(C(C)(C)C)cc1 1874581780 GBFDEALRIABOAU-VHEBQXMUSA-N 434.579 7.921 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cc(C)ccc3C)c(OC)c2)cc1 1874605053 PAYVVORJOBKDEB-GXDHUFHOSA-N 443.543 5.788 30 10 IKEE C=CCOc1c(CC=C)cc(/C=C/C(=O)c2ccc(OCCCCCCC)cc2)cc1OC 1874624408 BWLRAGQXHKEUKA-QGOAFFKASA-N 448.603 7.234 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1OCc1ccccc1 1874629327 XKOZCFPBWTYIPP-VAWYXSNFSA-N 434.963 7.057 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 1874633673 PIYDZRVAXRJMGM-MDWZMJQESA-N 449.934 5.879 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OCC(=O)NCc2ccccc2)cc1 1874634553 HXXQOPOCPSKRQN-JLHYYAGUSA-N 449.934 5.248 30 10 IKEE Cc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)c2)c(C)c1 1874692354 BQINBOJXHMRQNW-ZHACJKMWSA-N 431.444 5.092 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)CSc3ccccc3)c2)cc1C 1874695975 BVJBVFUKIZUKOQ-FMIVXFBMSA-N 448.540 5.606 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1OC(=O)c1ccc(C)cc1 1874711173 SNPZTCBWNLEVOX-XYOKQWHBSA-N 430.500 5.744 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)cc3)cc2Cl)cc1 1875114386 RBWAFUVHKAOJED-WLRTZDKTSA-N 436.891 5.401 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC(=O)CCc1ccccc1 1875121693 CVEUQFXJKSSDII-SDNWHVSQSA-N 434.919 6.173 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc(Cl)c1OC(=O)C1CC1 1875134495 UXWSWWFCDAPKHT-FARCUNLSSA-N 425.695 5.867 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)CCCSC 1875149591 XYDVYZKEKPAEQZ-OQLLNIDSSA-N 440.605 6.328 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1OC(=O)[C@@H]1CCCO1 1875165913 GTFAMZAGDIPQHF-SHBDEGQCSA-N 442.939 5.563 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)c1ccc(F)cc1 1875176575 KYOROXCCVLYROP-RIYZIHGNSA-N 444.502 6.295 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C(C)(C)C)ccc3C)cc2)cc1 1875184727 NMMAVBYXOPVFEG-VCHYOVAHSA-N 442.555 6.807 30 10 IKEE C=CCCCCCC(=O)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1886684871 OVAZZMOJEHQXNK-GDLZYMKVSA-N 444.571 6.584 30 10 IKEE C=C(c1ccccc1)[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NC 1888682504 OLQIWYBPJIVMDD-VWLOTQADSA-N 449.639 5.237 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]([C@](C)(C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)C1 1911092901 NTCZCYRNTGJDOS-RHGYRFJNSA-N 435.609 5.532 30 10 IKEE C[C@@H]1CC[C@@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)[C@@H](OCc2ccccc2)C1 1977491855 RUGMZTKBFCIWGM-MMOPVJDHSA-N 426.479 5.454 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2ccc(NC(=O)OC(C)(C)C)cc2)c1 2031667604 QUQRLSICOWDPLA-OAQYLSRUSA-N 437.540 6.348 30 10 IKEE CC1(C)C[C@@H]([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)N(C(=O)OC(C)(C)C)C1 2033723346 NWAYDFHDERDOKG-RBUKOAKNSA-N 447.551 5.495 30 10 IKEE C=CCN1[C@H]2CCCC/C(=N\O)[C@@]2(C)C[C@]12C(=O)N(Cc1ccccc1)c1ccccc12 2049375685 FBVIRTPBTVRDEH-UJJQJOOASA-N 429.564 5.100 30 10 IKEE CN[C@H](CC#C[Si](C)(C)C)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2067290913 ZAAVRPUODYBSTP-QGZVFWFLSA-N 425.443 5.328 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@]1(C#N)C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21 2070323969 ARQPHMFWARCBCW-JJEXOMBSSA-N 436.527 5.845 30 10 IKEE Cc1cc(O)c([C@H](n2nc(C3CCC3)c(C=NO)c2Br)C2(C)CC2)cc1C 2079997867 IWIXGLLBAQVMBD-IBGZPJMESA-N 432.362 5.433 30 10 IKEE COc1ccc(Br)c(Cn2nc(-c3ccccc3)c(C#N)c2Br)c1 2080353756 ZUGRNNMQJAGJBF-UHFFFAOYSA-N 447.130 5.004 30 10 IKEE C=CCCCCCCCC[C@H](NC)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2086262558 XGVWVHLBXLKHTN-LOSJGSFVSA-N 445.692 5.907 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCOC12CCCCC2 2143843961 GEUOXBKQJQOMKJ-FQEVSTJZSA-N 435.362 5.576 30 10 IKEE CCCCCCCCCCC[C@H](N)c1scc(Br)c1Br 2152512634 GXGFVENTXWYXBD-AWEZNQCLSA-N 425.274 7.194 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCC[C@H]2Nc2cc(Br)ccc2C#N)CC1 2162397237 GBVNBOJIGZNNPP-GOSISDBHSA-N 434.378 5.302 30 10 IKEE C=C(c1ccccc1)[C@@H](NCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2197140625 WGNGNLVQZVUNOI-HXUWFJFHSA-N 431.374 6.160 30 10 IKEE N[C@@H](C#Cc1ccccc1Br)c1cc(Br)cc(Br)c1 2227477522 WXQNVGYUJFQZJH-HNNXBMFYSA-N 443.964 5.026 30 10 IKEE CC[C@@H](C)NCc1ccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)c(C#N)c1 2231451874 SOVIWLPCJDHIIQ-XMMPIXPASA-N 440.635 5.585 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)CCN(C(=O)OC(C)(C)C)C(C)(C)C 2235731900 YKYXNKBCMOOGTC-SFHVURJKSA-N 437.422 5.204 30 10 IKEE CCCCCC#CC[C@@H](N)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237408583 IKAFURBEIQCSDP-UXHICEINSA-N 437.422 5.186 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)cc1CC 2237537267 MYSORMULMWVPEO-VQTJNVASSA-N 437.422 5.359 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Br)cc(C(C)C)c1 2280721144 XNBXUBAUVXFCHX-PMACEKPBSA-N 437.422 5.530 30 10 IKEE Cc1cc(C)c2nc(N3C(=O)C(=O)C(=C(O)c4ccco4)[C@@H]3c3cccc(F)c3)sc2c1 2296936020 VFYCESCPIZMDQX-FQEVSTJZSA-N 448.475 5.272 30 10 IKEE CCc1cc(O)nc(NN=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)n1 2318415702 USWZWVCGQVDETH-UHFFFAOYSA-N 447.322 5.085 30 10 IKEE COc1ccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C2CC2)cc1 2320867936 GUDZOHKROYJESM-UHFFFAOYSA-N 433.364 5.645 30 10 IKEE CCc1ccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3cccc(C)c3)C4)C2=O)cc1 2322433352 DGKAGRIMYOFSRB-UHFFFAOYSA-N 425.528 5.834 30 10 IKEE COc1cc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccccc2)c(OC)cc1Cl 2322877929 WJOKIQZGEOZSKU-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2OC)cc1OCC(=O)Nc1c(C)cccc1C 2323101664 HKOAPZGYCYWNLF-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC)c(OCc3cccc(Cl)c3)c2)cc1 2323153948 CUHFYZRHLXFFJB-UHFFFAOYSA-N 436.935 6.613 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc2c(c1)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2323222721 IIKLMNYUUHRUIU-UHFFFAOYSA-N 443.257 5.897 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OCC(=O)NCc1ccco1 2323413085 NTJCCUVIAORHBQ-UHFFFAOYSA-N 441.483 5.033 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(OC)c(OCc3ccccc3Cl)c(OC)c2)cc1 2323461814 XPHITXOVLZEWJU-UHFFFAOYSA-N 436.935 6.395 30 10 IKEE O=C(C=Cc1ccc(OCc2c(F)cccc2Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1F 2323721342 LNFRFTJGJMODBY-UHFFFAOYSA-N 447.796 6.141 30 10 IKEE CCOc1cc(OCC)c([N+](=O)[O-])cc1C=NNc1nc(-c2ccc(C)c(C)c2)cs1 2323854271 CGWRZUFGLGELOX-UHFFFAOYSA-N 440.525 5.579 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1)Nc1ccccc1 2323879707 XDXUKYMVDCSRBC-UHFFFAOYSA-N 426.299 5.907 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OCc1ccc(F)cc1 2323959828 MPNVBUDQUAMHDZ-UHFFFAOYSA-N 430.519 6.655 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1 2324059074 RRQAIBVVCXHEPS-UHFFFAOYSA-N 439.382 7.766 30 10 IKEE Cc1cc(O)c(CN2CCC[C@@H](C)C2)c2c1C(=O)C(=Cc1c(Cl)cccc1Cl)O2 2324067681 BQAZKTBDJHQTMA-CYBMUJFWSA-N 432.347 5.856 30 10 IKEE CCCCN(CC)Cc1c(O)ccc2c1OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O 2324120635 HCUIWJAOIGILBD-UHFFFAOYSA-N 443.927 5.150 30 10 IKEE Cc1cccc(N2CCN(Cc3c(O)ccc4c3OC(=Cc3sccc3C)C4=O)CC2)c1 2324186204 MVMPQRMELHMSEU-UHFFFAOYSA-N 446.572 5.009 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3cccc(Cl)c3)c(Cl)c2)c(OC)c1 2324472510 RDQIYMLBGYMNIJ-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE COC(=O)COc1c(Cl)cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1OC 2324567937 LTTSVSNNXDTDAI-UHFFFAOYSA-N 430.928 5.402 30 10 IKEE COc1ccc(OCCCOc2cc(C)c3c(c2)OC(=Cc2ccccc2F)C3=O)cc1 2324705796 RKMYEGWLNFFHAJ-UHFFFAOYSA-N 434.463 5.607 30 10 IKEE Cc1cc(OCc2ccc(C#N)cc2)cc2c1C(=O)C(=Cc1cccc(Br)c1)O2 2324757019 OVHUGEYRWWLEMJ-UHFFFAOYSA-N 446.300 5.824 30 10 IKEE CC(=O)c1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2C)C3=O)cc1 2324989716 CHSXHCYORPYXBX-UHFFFAOYSA-N 441.483 5.140 30 10 IKEE COc1cccc(C(=O)C=Cc2cccc(OC(=O)[C@@H](C)Oc3ccc(Cl)cc3)c2)c1 2325707530 LWCIXIWPOORKHL-QGZVFWFLSA-N 436.891 5.618 30 10 IKEE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Oc1cccc(C=CC(=O)c2ccccc2)c1 2325732923 FPDWLBDXNCWOKD-MRXNPFEDSA-N 441.310 6.262 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(N(C)C)cc3)c2)cc1 2325733921 UAQUQRCFFXSYJH-UHFFFAOYSA-N 445.515 5.275 30 10 IKEE COc1ccccc1NC(=O)COc1ccc2c(c1)OC(=Cc1ccc(C(C)C)cc1)C2=O 2325735787 KWPACOYMCQIWDD-UHFFFAOYSA-N 443.499 5.452 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OC(=O)c2cc(Cl)ccc2Cl)c1 2325743448 WAPFFZDXCYAVNK-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc1OC(=O)c1cccnc1 2325763623 LTJBXKGESYSTPZ-UHFFFAOYSA-N 437.879 5.176 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Br)c2)cc(Br)c1O 2325791483 ZDGYXKWUAUYYBF-UHFFFAOYSA-N 426.104 5.212 30 10 IKEE C=CCSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1cccc(OCC)c1 2327383501 DGGFUWILKPTPRC-UHFFFAOYSA-N 436.581 5.369 30 10 IKEE CCCOc1cccc(C=Nn2c(COc3ccc(Cl)cc3)nnc2SCC)c1 2327542302 ACKYLTITKUJIHS-UHFFFAOYSA-N 430.961 5.294 30 10 IKEE CCCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccccc1C(=O)O 2327779288 LWTHPZRWEBUXMY-UHFFFAOYSA-N 430.533 5.105 30 10 IKEE CCCOc1ccc(C=Nn2c(CCc3cccc(OC)c3)nnc2SCCC)cc1 2328652428 NNQMEJXUWIHJQX-UHFFFAOYSA-N 438.597 5.245 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2OC)n1N=Cc1ccc(Cl)cc1 2328689872 SVPKTYAGBOGKPW-UHFFFAOYSA-N 426.973 5.276 30 10 IKEE CCSc1nnc(COc2cccc(C)c2C)n1N=Cc1ccc(Br)cc1 2328836767 QRSXTZIYDDZKSC-UHFFFAOYSA-N 445.386 5.231 30 10 IKEE Cc1ccc(CCc2nnc(SCCc3ccccc3)n2N=Cc2ccc[nH]2)cc1C 2328954175 ZGTGGIATSXDTMR-UHFFFAOYSA-N 429.593 5.225 30 10 IKEE CCCCCOc1ccc(C=Nn2c(Cc3ccc(C)cc3)nnc2SCCC)cc1 2330016075 RIHPPPLINKLUQV-UHFFFAOYSA-N 436.625 6.131 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2F)n1N=Cc1ccccc1O 2330108740 NQORAQUMKXYMKW-QGZVFWFLSA-N 432.524 5.449 30 10 IKEE Cc1ccc(CSc2nnc(CC3CCCCC3)n2N=Cc2ccccc2Cl)cc1 2330221660 FZPULVDWBPQAIQ-UHFFFAOYSA-N 439.028 6.537 30 10 IKEE Cc1cncc(C(=O)Oc2ccc(C=CC(=O)c3ccc4ccccc4c3)cc2[N+](=O)[O-])c1 2330665192 VZFPGMGFMUZNIT-UHFFFAOYSA-N 438.439 5.567 30 10 IKEE O=C(Cc1ccc(F)cc1F)Oc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1 2330678666 PQPQXHSLMLAKTA-UHFFFAOYSA-N 432.466 5.888 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3cccc(C)c3C)c(OC)c2)cc1 2330770266 JZMJMZXOEARYGN-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)c(C)c3)c([N+](=O)[O-])c2)cc1 2331273512 IGHKTCGJVBVBSL-UHFFFAOYSA-N 433.435 5.395 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C(F)(F)F)c(Br)c1)c1cccc2ccccc12 2331473140 HYADXRIBCSSPKV-UHFFFAOYSA-N 449.222 5.966 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)[C@@H](C)c1ccccc1 2331512089 FLMGIHKHYXPBAG-INIZCTEOSA-N 438.882 6.093 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1OC(=O)c1cccnc1 2331640673 NFXAJFWAIFLIJI-UHFFFAOYSA-N 449.934 6.093 30 10 IKEE CCOc1ccc(C=Nn2c(SCCc3ccccc3)nnc2C(C)C)cc1OCC 2331703512 PZENLVVTCNBBHC-UHFFFAOYSA-N 438.597 5.416 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)c(F)c3)c(Cl)c2)c(C)c1 2331768784 XFYUXMLCKMSZBU-UHFFFAOYSA-N 440.873 6.659 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3)c(OC)c2)cc1C 2331854701 WCUYLUVXBUWCGV-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE CC1(C)OB(C=Cc2ccc(N3CC[C@@]3(C)CCOCc3ccccc3)nc2)OC1(C)C 2339588015 BMALSBJBPWDWHE-SANMLTNESA-N 434.389 5.302 30 10 IKEE Cc1cc(CNc2cccc(OCc3ccccc3)c2)cc(B2OC(C)(C)C(C)(C)O2)c1 2343646772 PMILJFJDTHVKND-UHFFFAOYSA-N 429.369 5.485 30 10 IKEE CN(c1cc(Br)cc(F)c1C#N)[C@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]12 2357062337 VYLLHIHUUMEDAR-DBSRCYSRSA-N 429.333 5.280 30 10 IKEE C=CCN(C[C@@H](NCC)c1cc(Br)cc(OC2CC2)c1)C(=O)OC(C)(C)C 2362707693 IBFWJWNALRMBBA-LJQANCHMSA-N 439.394 5.064 30 10 IKEE CC#CCN(C[C@H](NC)c1cc(Br)cc(C(C)(C)C)c1)C(=O)OC(C)(C)C 2363134682 CSPAUSHOWKKGPL-IBGZPJMESA-N 437.422 5.268 30 10 IKEE COc1ccccc1[C@@H]1[C@@H](C(=O)c2ccc(C)cc2)N2c3ccccc3C=C[C@@H]2C1(C#N)C#N 9761110 SCDXHRWLTOMYIQ-PFBJBMPXSA-N 445.522 5.288 30 10 IKEE Cc1ccccc1[C@H]1C2=C(CCCC2=O)Nc2nc(SCc3ccc(Cl)cc3)nn21 9856506 SNJYYDUWHAAXGY-NRFANRHFSA-N 436.968 5.554 30 10 IKEE CCOc1ccc(/C=C2\CCCC3=C2N/C(=N\C#N)N[C@@H]3c2ccc(OCC)cc2)cc1 15906840 BEZXDBIQEFJLTC-ZOSFRFIDSA-N 428.536 5.077 30 10 IKEE CCCCSc1nc2n(n1)[C@H](c1ccccc1OCC)C1=C(CC(C)(C)CC1=O)N2 20850769 KLJWGWQOMKMPBK-HXUWFJFHSA-N 426.586 5.227 30 10 IKEE CCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OCC(C)C)cc2)C3)cc1 20885950 HTTOMADLMMCEBC-NZQKXSOJSA-N 433.548 5.124 30 10 IKEE COc1ccc(/N=C/c2cc(Cc3ccccc3Cl)cc([N+](=O)[O-])c2O)cc1Cl 27500918 AUGRLQYLSLMLAH-WYMPLXKRSA-N 431.275 5.957 30 10 IKEE Cc1noc2c1[C@H](c1cccc(Br)c1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 28051620 ACQYNELHLXNPJA-IERDGZPVSA-N 435.321 5.704 30 10 IKEE COc1ccc([C@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 34799366 QMPAZLQZGXTCEK-YQACCMODSA-N 425.484 5.186 30 10 IKEE C=CCOc1cccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2Cc2ccco2)c1 39840107 IPMNLXLUHUELCB-DEOSSOPVSA-N 441.483 5.313 30 10 IKEE C=CCc1ccc(OCCCn2c(CCCNC(=O)CCC)nc3ccccc32)c(OC)c1 40204495 UQVFHGZEAWWIAI-UHFFFAOYSA-N 449.595 5.091 30 10 IKEE Cc1c(C(=O)N2CCCc3ccccc32)oc2c1/C(=N/Nc1ccc([N+](=O)[O-])cc1)CCC2 40814751 NWUZZFSTSJAADV-NHFJDJAPSA-N 444.491 5.242 30 10 IKEE Cc1c(Cc2ccccc2Cl)c(N2CCC(C)CC2)n2c(nc3ccccc32)c1C#N 47163608 GHUGNZOKYXJIHA-UHFFFAOYSA-N 428.967 6.148 30 10 IKEE C[C@@H](CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(=O)O 65735168 QOEPZHFZXUROGV-DBZJADFNSA-N 430.629 5.632 30 10 IKEE in-vitro CCc1nc2scc(-c3ccc(-c4ccccc4)cc3)c2c(=O)n1Cc1cccc(C#N)c1 96529283 SHYVRFQRDBGSGC-UHFFFAOYSA-N 447.563 6.274 30 10 IKEE C[C@H]1CSC(N(C(=O)/C=C\c2cn(CCC#N)c3ccccc23)c2ccc(Cl)cc2)=N1 96557702 HJXRDGQFLUOQQG-PJCWUCBCSA-N 448.979 5.746 30 10 IKEE CCN1C/C(=C/c2ccc(OC(F)F)cc2)C(=O)/C(=C\c2ccc(OC(F)F)cc2)C1 97993053 UBEXLYXACHBLMP-WHYMJUELSA-N 435.417 5.261 30 10 IKEE CCCCCCCOc1ccccc1[C@H]1Nc2ccccc2C(=O)N1CCc1ccccc1 100139856 IXFCOLVQSFOQPL-NDEPHWFRSA-N 442.603 6.845 30 10 IKEE CC(C)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]n(-c4ccccc4)c(=O)c32)cc1 101972812 BOWWLZSRFBIMJB-QFIPXVFZSA-N 427.548 5.490 30 10 IKEE CCCCCCCCC(=O)N(CCC)CC(=O)N(CCc1ccccc1)Cc1ccco1 103066930 ZTJACTHPHNOIOY-UHFFFAOYSA-N 440.628 5.840 30 10 IKEE Cc1nc(N2C(=O)C(=O)/C(=C(\O)c3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)sc1C 103103895 GYBJYOPLFFSZRR-LYHOESIGSA-N 442.899 5.179 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@@H]2/C=C\c1ccccc1 104466553 FOHXMBOUDUWYPM-GHYICZDASA-N 440.465 5.733 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\n2c(S)nnc2CCCC)cc1OCC 169910939 ZQNOKEKGJFWTOS-PLRJNAJWSA-N 446.661 6.320 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2cccc(Cl)c2)c1 169969985 ABAMGRDMJSJQFS-HSZRJFAPSA-N 442.902 5.913 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@H]2c2cccnc2)c1 170003504 PIEFCYQOTFYHPH-QHCPKHFHSA-N 442.515 5.171 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccncc2)cc1C 170016706 NLXYTFHKYMLWTQ-XMMPIXPASA-N 442.515 5.305 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1C 170066015 LUQLFPPNRJJHLG-XMMPIXPASA-N 435.564 5.430 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1c[nH]c2ccccc12 170078384 BMMGOFSUWSIMGZ-DEOSSOPVSA-N 444.531 5.396 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1C 170087680 BQUDBKXVQZJTHU-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@H]2c2ccco2)ccc1F 170090823 SQYQVWSABCKERC-QFIPXVFZSA-N 433.479 5.808 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2c2cccc(C)c2)c1 170141060 AFVKPYJOFGAGIF-VWLOTQADSA-N 439.511 5.411 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@H]1c1cccs1 170158235 SAWZJLYOYLDWOK-NRFANRHFSA-N 437.492 5.296 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2cccnc2)c1 170187320 KBYSLGZJTUYHKM-DEOSSOPVSA-N 442.515 5.270 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)[C@@H]2c2ccccc2)cc1 170227275 FBBFKZCTELOYTL-QHCPKHFHSA-N 443.886 6.178 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@H]1c1ccc(F)cc1 170243139 QAFBVAYTHHPWQI-JOCHJYFZSA-N 439.527 5.510 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC)c2)[C@@H]1c1ccc(C(C)C)cc1 170245777 QXQONWIFQVCZFM-DEOSSOPVSA-N 435.564 5.977 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1ccccc1F)c1ccc2ccccc2c1 170248935 PIULCYFIEJFBEG-XMMPIXPASA-N 439.442 5.467 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccccc1F 170249821 ODMYDTGGQOJQFH-FYSMJZIKSA-N 443.474 5.240 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccco2)c(OCC)c1 170282943 AAKTYKKOJKGJBO-HSZRJFAPSA-N 447.487 5.168 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2cccc(C)c2C)o1 170302291 WLYKHZOHXKDPFK-HSZRJFAPSA-N 426.472 5.469 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1c1ccccc1O 170314507 UENWTACAYGCTAQ-OAQYLSRUSA-N 449.528 5.332 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1sccc1C 170315608 GTSQHLYVJTYOKQ-OPAMFIHVSA-N 445.540 5.471 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CCC)c1 170323725 BXSOXPSTXXIJAK-QFIPXVFZSA-N 449.503 5.219 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2Cc2ccccc2OC(C)(C)C)c1 170458066 DYBCYBLIFHJVSC-XMMPIXPASA-N 435.564 5.683 30 10 IKEE O=C1/C(=C/c2ccc(N3CCCCC3)cc2)SC(=Nc2ccccc2)N1Cc1ccco1 252606819 GVSWZUGWKHMTRH-MMKHHPBPSA-N 443.572 6.074 30 10 IKEE CCCCN1C(=O)/C(=C2\SC(=Nc3ccc(Cl)cc3)N(C)C2=O)c2ccccc21 252614441 JJIBUHATVABDNO-YFWHMSOXSA-N 425.941 5.091 30 10 IKEE C=CCn1c(SCC(=O)Nc2c(F)cccc2F)nnc1-c1ccc2ccccc2c1 253574987 UBXQFKUCEHLZJI-UHFFFAOYSA-N 436.487 5.293 30 10 IKEE CC[C@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 255272248 UVFOCYGYACXLAY-MAJLMTNJSA-N 426.685 7.412 30 10 IKEE biogenic C=C(CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C 257621333 XJLZCPIILZRCPS-AMNBVOKPSA-N 440.756 8.725 30 10 IKEE biogenic Cc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccc(OCC(C)C)c2)cc1 526491745 PUBXSSGSVQOEAC-SANMLTNESA-N 438.527 5.959 30 10 IKEE CCCOc1ccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526606964 LGINBMFBOWSTON-XMMPIXPASA-N 428.463 5.543 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1/N=C\c1ccc(OC)c(OCC)c1 526802945 PHKNPMOFKTVEAZ-MYYYXRDXSA-N 442.560 5.342 30 10 IKEE CCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1ccc(OC(C)C)cc1 526805249 HMWSSWZWASLBFN-QQXSKIMKSA-N 436.625 6.100 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1c(F)cccc1Cl 526809757 SWTAUEPBYOUUIN-MXAYSNPKSA-N 430.980 6.205 30 10 IKEE Cc1cc(C)cc(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccccc2O)c1 526809919 XSAQOLIZDFEXPD-QQXSKIMKSA-N 428.561 5.366 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2sccc2C)c(C)c1 526811882 BWJFPJACWMEAOM-MYYYXRDXSA-N 432.618 6.030 30 10 IKEE CCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1ccc(OC(C)C)c(Cl)c1 526812031 XBTUMMQRYZUUBL-MXAYSNPKSA-N 443.016 6.072 30 10 IKEE N#CCCCN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586242883 DZFJPSCSPPAIOQ-UHFFFAOYSA-N 448.169 5.255 30 10 IKEE N#Cc1cccc(C(=O)Oc2ccc(NC(=O)NCc3cccc(C(F)(F)F)c3)cc2)c1 586538421 WNLZUEMERTTWDY-UHFFFAOYSA-N 439.393 5.118 30 10 IKEE N#Cc1cccc(NC(=O)Nc2cccc(C(=O)NC3CCCCCCCCCCC3)c2)c1 586703124 RHAKLCONNAUVCS-UHFFFAOYSA-N 446.595 6.605 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@](C)(C#N)c1cc(Br)ccc1F 698354426 SMHKEZHSFCQOAI-HXUWFJFHSA-N 425.342 5.897 30 10 IKEE CC(C)[C@@H]1CCCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 698491655 ZVUHNJRIKBSOQF-SIKLNZKXSA-N 435.406 6.689 30 10 IKEE CC(C)[C@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 698908292 GYMDTYQJZCSPEP-ZWKOTPCHSA-N 437.606 5.174 30 10 IKEE CCSc1ccc(/C(=N/OCc2cc(=O)c(OCc3ccccc3)cn2C)C2CC2)cc1 821233906 FPGCRHYVELNHDT-CYYJNZCTSA-N 448.588 5.407 30 10 IKEE O=C(Oc1ccc(C=NNc2nc(-c3ccccc3)cs2)cc1)c1cccc(Cl)c1 1083947588 DYHYELZRZURWMT-UHFFFAOYSA-N 433.920 6.129 30 10 IKEE COc1ccc([C@H]2[CH]S/C(=N/c3ccccc3)N2C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 1614963231 INFZHYJEHVRMQR-FNUGLCLTSA-N 448.524 5.276 30 10 IKEE C/C(=C1\SC(=Nc2cccc(C)n2)N(C2CCCCC2)C1=O)c1ccc([N+](=O)[O-])cc1 1772737767 PFJDZLNILRBEKB-LIKMOULWSA-N 436.537 5.625 30 10 IKEE Cc1c(N=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(O)n(C2CCCCC2)c(=O)c1C#N 1772741644 ZHFGGGFFLYHPOT-UHFFFAOYSA-N 449.389 5.582 30 10 IKEE Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N\NC(=S)Nc2cccc(Cl)c2)cc1 1857810719 CEEGIMLJXWGTAQ-YSMPRRRNSA-N 445.979 5.822 30 10 IKEE Cc1ccc2nc(C)cc(C(=O)Nc3c(C#N)cnn3-c3cc(C)c4ccccc4n3)c2c1 1859657210 XTQKHOGBDYSYMN-UHFFFAOYSA-N 432.487 5.018 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2ccccc2C)cc1 1862389989 SERSAVYMPXIYDK-XMMPIXPASA-N 435.564 5.079 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)cc1 1862431917 RHKSDRIZABVHNO-ZAOYMGCJSA-N 439.939 5.506 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1cccc(Cl)c1)c1cccc(Cl)c1 1862446446 SMBXVMJWDGRWSS-IBGZPJMESA-N 444.339 5.833 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(C(F)(F)F)cc1 1862451107 XCEQYRYAZNOLKC-KZULUSFZSA-N 437.845 5.736 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccccc1 1862456626 WITUOFPJMIWODI-JOCHJYFZSA-N 445.481 6.043 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccc(C)c2)c1 1862476116 CIELLALGTUXLFS-DEOSSOPVSA-N 427.500 5.091 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862478722 PBTDCBZKANQOOX-DEOSSOPVSA-N 445.490 5.311 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCCCCC2)c1 1862489575 XNVYDJYAOPHNFG-VWLOTQADSA-N 447.575 6.003 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@@H]2c2ccccc2F)c1 1862489929 KLHQNRWQWQTRQS-XMMPIXPASA-N 445.490 5.100 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2ccccc2C)c1 1862490428 VOKAWHGENZNJEW-DEOSSOPVSA-N 445.946 6.044 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2cccc(C)c2)cc1 1862533353 LTTSNJFBVWEMEY-KBMIEXCESA-N 425.528 5.897 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2cccc(O)c2)cc1 1862533813 OSVAVYFXMBZYGJ-HSZRJFAPSA-N 447.918 5.387 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CCC(C)C)c1 1862580715 QITUUTJLUFDDRN-HXUWFJFHSA-N 432.347 5.926 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862591060 CKHPWKFZTVWXJF-HSZRJFAPSA-N 435.520 5.092 30 10 IKEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1cccc2ccccc12 1862620081 KDIHIEUIXROELF-XDHUDOTRSA-N 443.543 5.096 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccc1C 1862649408 XLCDDVFKTYMQRR-RUZDIDTESA-N 427.544 6.307 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862655737 OKYRWVSTJORNAG-BVZFJXPGSA-N 443.543 6.005 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862672984 JFLVHHIVPKWQDO-QMHKHESXSA-N 431.463 5.174 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2[C@H](C)CC)c1 1862715305 ULMUIZGIMLAMTB-MZNJEOGPSA-N 429.516 5.615 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cc(Cl)cc(Cl)c1 1862744150 LDPQIMAMOLRRGU-ADLMAVQZSA-N 449.290 5.278 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(Cl)cc3C)C2=O)cc1 1862893963 ZUFPFSWZVIEJNE-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(C3CCCCCCC3)C2=O)cc1C 1863260258 HSTVMZVOESWIPN-UHFFFAOYSA-N 427.548 5.480 30 10 IKEE C=CCNC1=C(c2cccc3ccccc23)C(=O)N([C@H](C)C23CC4CC(CC(C4)C2)C3)C1=O 1863590843 CCPJLSOXZFRHMD-PLVCPGIGSA-N 440.587 5.300 30 10 IKEE CCCCCCCOc1cn(CCc2cnc[nH]2)c(CNc2cc(C)cc(C)c2)cc1=O 1870836654 OWCRLFSYVSYRJG-UHFFFAOYSA-N 436.600 5.392 30 10 IKEE C=CCn1cc(OCc2ccccc2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870894960 RBJBVKDPBQZIED-UHFFFAOYSA-N 437.543 5.969 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccccc1Cl)O3)CN(C1CCCCCCC1)CO2 1871349415 SOCZRISMLCLMIZ-UCQKPKSFSA-N 437.967 6.529 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccccc2C)C3=O)c1 1871412552 VGZCZYLAMTWPMK-UQEONJGVSA-N 441.527 5.942 30 10 IKEE COc1ccc(OCCOc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1 1871415262 YEPDOFVHNPCEKW-QQXSKIMKSA-N 430.500 5.893 30 10 IKEE CCCOC(=O)[C@H](CC)Oc1ccc2c(c1)O/C(=C\c1ccc(N(CC)CC)cc1)C2=O 1871432825 HOBZNTDZRMGTEO-ZKFYFQMZSA-N 437.536 5.260 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccc(Cl)cc3)ccc2C1=O 1871441077 WPNSYVLNPRUFNW-QRVIBDJDSA-N 449.890 5.372 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OCC(=O)Nc3ccc(F)c(Cl)c3)ccc2C1=O 1871441763 WXHZNDSWOCJGOW-GRSHGNNSSA-N 443.883 5.483 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(C(C)(C)C)cc2)ccc2c1O/C(=C\c1ccccc1)C2=O 1871445043 HKVWSIIYXVHSRD-JLPGSUDCSA-N 441.527 5.926 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2cccc(F)c2)C3=O)c1 1871454194 KICXTLUBOUHOIB-QRVIBDJDSA-N 431.463 5.385 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(Nc2ccccc2)cc1)[C@@H](C)CC)S(=O)(=O)CC 1872157003 FHYNAWACFPJOGU-CVDCTZTESA-N 443.613 5.011 30 10 IKEE C=CCN([C@H](C(=O)Nc1cc(C)ccc1C)[C@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872571861 MXSLTRNAQVEAAP-DVECYGJZSA-N 442.625 5.150 30 10 IKEE COc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)c(OC)c1 1872760301 LKIPNADVXCLYFT-NRFANRHFSA-N 428.513 5.399 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)c(C)c1 1872769181 LPNHGSQTXOUEOU-RHSMWYFYSA-N 445.371 6.378 30 10 IKEE COc1ccc(OC)c(-c2csc([C@@H](C#N)C(=O)c3ccc(-n4cccc4)cc3)n2)c1 1872770981 JDTBKOCIZKTXPZ-FQEVSTJZSA-N 429.501 5.108 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)[C@@H](C#N)c1nc(-c2ccc(F)c(C)c2)cs1 1872771777 BSIGEKXSOAVRMK-GFCCVEGCSA-N 435.307 6.063 30 10 IKEE CCCCc1ccc(N2C[C@H](C(=O)[C@H](C#N)c3nc(-c4cccs4)cs3)CC2=O)cc1 1872773995 DOPQNGPCWMFELY-MJGOQNOKSA-N 449.601 5.444 30 10 IKEE CCCOc1ccc(CC(=O)[C@H](C#N)c2nc(-c3cccc4ccccc34)cs2)cc1 1872774792 BXPLHTGGHKLISB-QHCPKHFHSA-N 426.541 6.171 30 10 IKEE COc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3cccc4ccccc34)cs2)c(OC)c1 1872775437 QLJRIUVBXYZWIH-SDNYCIMKSA-N 440.524 5.870 30 10 IKEE CCCOc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1 1872778891 WWXUJGTYCPHHCO-JOCHJYFZSA-N 432.589 6.252 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@@H](C#N)C(=O)c2cccc(OC(C)=O)c2)n1 1872783876 KAWGDNSYMPVAIE-KRWDZBQOSA-N 440.908 5.196 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(NC(C)=O)c3)n2)c2ccccc12 1872788312 GUFRBCPIAVXEOV-NRFANRHFSA-N 441.512 5.420 30 10 IKEE CCCCCCCCN1C[C@@H](C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)CC1=O 1873015588 XUEZIMSQKLTYPY-PMACEKPBSA-N 441.641 5.211 30 10 IKEE CCCCCCCCC(=O)Nc1sc2c(c1C(=O)NCCc1ccccc1)CCC2 1873436433 ZGWZIBOJRXLBIW-UHFFFAOYSA-N 426.626 5.898 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1cccc(C)c1)n2Cc1ccccc1 1873656753 KSUVSANNJASLKO-UHFFFAOYSA-N 437.547 5.219 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1ccc(F)cc1 1874207723 TZNQDMQWPIZBJP-FSJBWODESA-N 445.361 5.321 30 10 IKEE Cc1cccc(/C=N/n2c(COCc3ccccc3)nnc2SCc2cccc(F)c2)c1 1874353926 JALVUZSEJZTADW-JFLMPSFJSA-N 446.551 5.617 30 10 IKEE Clc1cccc(CSc2nnc(-c3ccccc3Cl)n2/N=C/c2ccc[nH]2)c1 1874368291 SXEWMKLSCZYERA-WYMPLXKRSA-N 428.348 5.755 30 10 IKEE COc1ccccc1/C=N/n1c(COc2ccccc2)nnc1SCc1ccccc1C 1874383462 BGZMQHUVBVYPRL-WGOQTCKBSA-N 444.560 5.349 30 10 IKEE CCc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccccc2F)cc1 1874403064 RQFDJSJJNIZOSV-MTDXEUNCSA-N 444.579 5.939 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2C2CCCC2)c(OC)c1 1874451854 RVQJIQLMKZCAOP-MFKUBSTISA-N 436.581 5.436 30 10 IKEE Fc1ccccc1/C=N/n1c(SCc2c(Cl)cccc2Cl)nnc1C1CCCC1 1874456562 BUUUWFDZZBPCEV-BRJLIKDPSA-N 449.382 6.556 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccccc1O 1874480424 WHMOCKHYBJLKRD-FSJBWODESA-N 435.380 5.808 30 10 IKEE CC(C)Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccc(C(C)C)cc1 1874488534 WOXMXQQXAOTDRR-ZVHZXABRSA-N 437.569 5.683 30 10 IKEE CCCSc1nnc(CCC)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874508627 NKVIMPCAQXYQTI-BUVRLJJBSA-N 428.989 5.847 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CC2)c(OC)c1 1874520461 NUKTXDAKZZQJGV-FSJBWODESA-N 428.945 5.001 30 10 IKEE COc1cc(/C=N/n2c(S)nnc2CC23CC4CC(CC(C4)C2)C3)ccc1OC(C)C 1874567026 ARXNEPGXTAXZEP-AFUMVMLFSA-N 440.613 5.004 30 10 IKEE CCc1ccc(C(=O)/C=C/c2c(OCc3cccc(Cl)c3)ccc3ccccc23)cc1 1874573045 SFFYRMFBMYWZHQ-FOCLMDBBSA-N 426.943 7.531 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCc2ccccc2)c(C)c1C 1874586492 PYHAOXKAQVFNDK-ZRDIBKRKSA-N 436.935 6.449 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)N[C@@H](C)c3ccccc3)c2)cc1 1874594051 PKSUHAKWRDYNPA-GRFAERAESA-N 443.543 5.410 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1F 1874616907 ZTPWGVJMRTZXKS-GXDHUFHOSA-N 433.479 5.446 30 10 IKEE O=C(Cc1ccccc1[N+](=O)[O-])Oc1cccc(/C=C/C(=O)c2ccc3ccccc3c2)c1 1874692638 QEHYHHBWWNNYHK-NTCAYCPXSA-N 437.451 5.792 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1OC(=O)Cc1cccs1 1874692753 WAXHRLKMADFZMB-XYOKQWHBSA-N 428.509 5.954 30 10 IKEE O=C(Oc1cccc(/C=C/C(=O)c2ccc(F)cc2F)c1)c1ccc(Cl)c(Cl)c1 1874699845 PSPRYCLCVZSFLV-RUDMXATFSA-N 433.237 6.387 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)c(F)c2)c(Cl)c1)c1ccc2ccccc2c1 1875096646 YCCJEFFDCGSLKD-VZUCSPMQSA-N 448.852 6.887 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)cc([N+](=O)[O-])c1OC(=O)CC(C)(C)C 1875100715 JTERBYPOZYOMSO-ZHACJKMWSA-N 441.480 5.240 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)c1 1875103236 ZDHTTWQZIVRYES-JXMROGBWSA-N 430.544 6.103 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1[N+](=O)[O-] 1875113644 RBJFSEUOQSGNJM-ZRDIBKRKSA-N 437.835 5.372 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OC(=O)c1ccccc1OC 1875114984 HCJITJSINYJVKJ-OQLLNIDSSA-N 432.472 5.218 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1Cl)c1ccc(F)c(F)c1 1875120973 TUAGORNKWTUMPA-LREOWRDNSA-N 434.772 6.012 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 1875133996 HWWJBCGWCLNJEP-LFYBBSHMSA-N 431.444 5.336 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2[N+](=O)[O-])c1 1875134623 BXEVGUFNNBHTOW-FMIVXFBMSA-N 445.471 5.726 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccccc2OC)c([N+](=O)[O-])c1 1875143407 XRRRKTXRQUXESO-PKNBQFBNSA-N 447.443 5.036 30 10 IKEE CCCCCCCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2ccc(F)cc2)cc1OC 1875158048 CAKSYDVIHDTJAX-LFIBNONCSA-N 442.527 6.395 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1ccccc1Cl 1875164086 RWSKXQHCEVNPBB-YRNVUSSQSA-N 442.845 6.132 30 10 IKEE O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ccccc1-c1ccc(C(F)(F)F)cc1 1890640481 ODDWNHQAPKZWGZ-UHFFFAOYSA-N 427.319 6.783 30 10 IKEE N#Cc1ccc(CNC(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1F 1891079411 RWIROLMEKRTGSJ-UHFFFAOYSA-N 425.463 5.268 30 10 IKEE O=C(Nc1ccc(C(F)(F)F)c(F)c1)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 1892412357 DOIXTDXVZUQTTQ-UHFFFAOYSA-N 443.318 6.908 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@@]1(C#N)Nc1cccc(Br)c1 1924921533 PYSYJVZUVZGZJT-BTYIYWSLSA-N 434.378 5.228 30 10 IKEE CC1CCC(C#N)(N(C)C(=O)CCCN(Cc2ccccc2)C(=O)OC(C)(C)C)CC1 2010514814 FARZMSANFCFYFL-UHFFFAOYSA-N 427.589 5.135 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1(C)C 2013408720 UCLIOFKIJJWYKK-MHECFPHRSA-N 435.609 5.532 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)C1(C#N)[C@H](C)CN(Cc2ccccc2)C[C@H]1C 2037933535 BMPYDEGSDNEQLI-FGZHOGPDSA-N 433.596 5.787 30 10 IKEE CCc1cccc(CC)c1N(C(C)=O)c1nc(C=CC(=O)c2cc3ccccc3o2)cs1 2040484201 WUSFJMLRSDORPT-UHFFFAOYSA-N 444.556 6.595 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCCN(C(=O)OC(C)(C)C)C2)cc1 2053104211 WAZKWKFYFHZOMG-DEOSSOPVSA-N 445.560 5.120 30 10 IKEE C=C(CC)C[C@@H](NCCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071266060 AFADSMLJPGGPKD-HHHXNRCGSA-N 429.604 7.242 30 10 IKEE Fc1ccc(Cn2nc(C3CCC3)c(Br)c2C(F)(F)F)cc1C(F)(F)F 2078993200 ABXQMHUGGXQLHS-UHFFFAOYSA-N 445.176 6.138 30 10 IKEE CC(C)(C)c1nn([C@@H](c2ccc(C3CC3)cc2)C2CC2)c(I)c1C#N 2079064337 XTOAINKOCJRHMB-SFHVURJKSA-N 445.348 5.534 30 10 IKEE Cc1cc(O)c([C@@H](C2CCC2)n2nc(C3(C)CC3)c(C=NO)c2Br)cc1C 2080001940 PPFOYATZQAXLQJ-GOSISDBHSA-N 432.362 5.217 30 10 IKEE CC[C@H](c1c(C)cc(C)cc1C)n1nc(C2CCC2)c(C#N)c1I 2080012116 KSFCXDVKJDNEIW-QGZVFWFLSA-N 433.337 5.552 30 10 IKEE Fc1c(-c2c(C(F)(F)F)nn(C(F)F)c2Br)cccc1C(F)(F)F 2080913467 RELCIZBDPDNLEI-UHFFFAOYSA-N 427.064 5.884 30 10 IKEE Oc1c2c(nc3c(-c4ccc(F)c(C(F)(F)F)c4)c(C(F)(F)F)nn13)CCSC2 2081252592 XBZSRTGHBOXGSV-UHFFFAOYSA-N 437.340 5.068 30 10 IKEE Cc1ccc(C#N)c(Nc2cc(Br)c(Br)c(Br)c2)n1 2095445612 JUPDCSBPPGBDNT-UHFFFAOYSA-N 445.940 5.293 30 10 IKEE C=CCN(CC[C@H](NCCC)c1c(Cl)cccc1Br)C(=O)OC(C)(C)C 2099292927 NGYCMKGMPCAEKL-KRWDZBQOSA-N 445.829 5.956 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2cc(Br)c(C#N)cc2F)CCC1(C)C 2131947241 LPHNFNYOGOIXHB-ZDUSSCGKSA-N 426.330 5.050 30 10 IKEE C=CCN(CC[C@H](NCCC)c1cc(Br)ccc1C)C(=O)OC(C)(C)C 2137759490 XTPJXDYLXXXVTC-IBGZPJMESA-N 425.411 5.611 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1ccc(-c2cccc(Br)c2)s1 2164108772 XKNNPQJXJGKHRP-HSZRJFAPSA-N 442.422 6.601 30 10 IKEE CCCCC#CC[C@@H](NC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2203808099 SKSIFKUSAFOFMT-WOJBJXKFSA-N 437.422 5.057 30 10 IKEE C=CCC[C@H](C)[C@@H](NC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2229107150 GMTVKXBJOOPIGI-ZYSHUDEJSA-N 425.411 5.075 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@H]2CCCC[C@@H]2N(C(=O)OC(C)(C)C)C1 2246648214 WOUWRRANCIUPGV-YDLHNXBPSA-N 435.609 5.484 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(OC)c(Br)s1 2263743746 POKSANRXDSLYJL-IUODEOHRSA-N 433.412 5.029 30 10 IKEE CC[C@H](C)N(Cc1ccccc1)C(=O)c1ccc2cc(B3OC(C)(C)C(C)(C)O3)ccc2c1 2281831862 ZPUFZSGTQOYDPT-FQEVSTJZSA-N 443.396 5.580 30 10 IKEE C=C(COCc1ccccc1)[C@](C)(Cc1ccc(Br)cc1)OCCC(=O)O 2292200007 FYFRXBGRPYBJNC-QFIPXVFZSA-N 433.342 5.015 30 10 IKEE Cc1cc(C)cc(N=C2NC(=O)C(=Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)S2)c1 2294025366 LTXNXMNFENGWCH-UHFFFAOYSA-N 435.980 6.256 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)CN(C(=O)OC(C)(C)C)[C@@H](C)CC 2296219721 QYWZWZFXLQWRSA-PXNSSMCTSA-N 437.422 5.204 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@H]1CCCN(Cc2ccccc2)C1 2296266492 JCDGCIDOADNHGX-UPVQGACJSA-N 425.414 5.081 30 10 IKEE COc1cc(C=NCc2ccco2)ccc1OC(=O)c1sc2ccccc2c1Cl 2313530227 XJXOFHMCHSKWMC-UHFFFAOYSA-N 425.893 5.995 30 10 IKEE O=C1C(=Cc2ccc(Br)cc2)Oc2cc(OCc3ccc(Cl)cc3)ccc21 2314437508 OCXKLMYJNQFJJG-UHFFFAOYSA-N 441.708 6.298 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCc4c(F)c(F)c(F)c(F)c4F)ccc3C2=O)c1 2314437516 OLIYVDGFVHMQAM-UHFFFAOYSA-N 432.344 5.886 30 10 IKEE COc1ccc2nc(C=Nn3c(SCc4ccccc4C)nnc3C(C)C)ccc2c1 2321844688 CIMLMLIUZHFIFE-UHFFFAOYSA-N 431.565 5.441 30 10 IKEE CCCCCCCCN1COc2c(cc3c(c2C)OC(=Cc2ccccc2OC)C3=O)C1 2322415818 VBHWDMURAJJXEH-UHFFFAOYSA-N 435.564 6.132 30 10 IKEE Cc1c(OC(=O)c2ccccc2)ccc2c1OC(=Cc1ccccc1Br)C2=O 2322662865 LZMODLKLRSGUEU-UHFFFAOYSA-N 435.273 5.593 30 10 IKEE O=C(C=Cc1c(OCc2ccccc2Cl)ccc2ccccc12)c1cccc2ccccc12 2322722435 AYDNTJWPILHQHS-UHFFFAOYSA-N 448.949 8.122 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1C 2323078829 DTJOFMYUSOWTKD-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OC(=O)C=Cc4ccc(Cl)cc4)c3C)C2=O)c1 2323327556 WWQRMKLXOMRNHS-UHFFFAOYSA-N 446.886 5.892 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(-c2ccccc2)cc1 2323345190 UEYLGTHAMKRJTF-UHFFFAOYSA-N 435.479 6.737 30 10 IKEE C=C(C)COc1c(OCC)cc(C=CC(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 2323589227 CEIRGSJABKMXGE-UHFFFAOYSA-N 446.297 5.607 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)c4ccc(-n5cccc5)cc4)ccc3C2=O)cc1 2323674835 GGLQTDCSBWTIAM-UHFFFAOYSA-N 437.451 5.321 30 10 IKEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3cccc(Cl)c3)cc2Cl)o1 2323766017 APQPPWBMVWGRBN-UHFFFAOYSA-N 431.271 5.848 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)c(OC)c1 2323767795 WPNYKEVUEGAPNP-UHFFFAOYSA-N 428.440 5.095 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc4c(c2)OCO4)C3=O)c1 2323831583 GYVNVFTYGHMLBV-UHFFFAOYSA-N 444.439 5.040 30 10 IKEE CCCCCCCCCOc1ccc(C=C2CN(Cc3ccccc3)CCC2=O)cc1OC 2323839968 VACNFWSKZMKTCY-UHFFFAOYSA-N 449.635 6.683 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1 2323921362 PHJJQNXHMQPRLW-OAQYLSRUSA-N 443.543 5.628 30 10 IKEE CCn1cc(C=C2Oc3c(CN4C[C@@H](C)C[C@H](C)C4)c(O)cc(C)c3C2=O)c2ccccc21 2324055159 LGHZPKYLVKWFQA-ROUUACIJSA-N 444.575 5.769 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(OCCCc4ccccc4)c3C)C2=O)c2ccccc21 2324272580 YURNDUWMJZUNQN-UHFFFAOYSA-N 437.539 6.597 30 10 IKEE Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2)C3=O)c(C)c1 2324331534 DXGCZBHEKINONA-LJQANCHMSA-N 427.500 5.634 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(C(C)(C)C)cc3)n2)cc1 2324505069 ZDACGXGZDOZMJT-QFIPXVFZSA-N 430.573 6.396 30 10 IKEE CC(C)(C)c1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 2324623410 RNXSQONSSXSPPC-IBGZPJMESA-N 430.529 5.726 30 10 IKEE O=C1C(=Cc2cccc(F)c2)Oc2cc(OCc3cccc(Oc4ccccc4)c3)ccc21 2325345577 NBUBGAHLLKFNOC-UHFFFAOYSA-N 438.454 6.813 30 10 IKEE Cc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2cc(C)ccc2C)cc1 2325448909 IPKQFSVEARIFMD-UHFFFAOYSA-N 440.616 6.163 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(C(C)(C)C)cc2)ccc2c1OC(=Cc1ccco1)C2=O 2325552672 XIKLUKLYNPPBNX-UHFFFAOYSA-N 431.488 5.519 30 10 IKEE COc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccccc2C)C3=O)cc1Cl 2325710907 JKRIJRNCKIWIIR-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)CSc3ccccc3)c2)cc1 2325734236 XSSBKAQEDBEHQG-UHFFFAOYSA-N 448.540 5.688 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1sccc1C)C2=O 2325737622 HJBYWLBVGTYVKD-UHFFFAOYSA-N 433.529 5.561 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1OC(=O)c1sccc1C 2325765139 UVNLQZXCDQDIJW-UHFFFAOYSA-N 448.584 6.786 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccccc3OC)c2)cc1C 2325770558 WYISFDPOHPRIPB-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE Oc1ccc2ccccc2c1C=Nn1cnnc1SCc1ccc(Cl)cc1Cl 2326696010 SQTBOWVVYMQUGT-UHFFFAOYSA-N 429.332 5.618 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2C)n1N=Cc1ccc(N(C)C)cc1 2327094615 LLWQWTXUGFKHOF-UHFFFAOYSA-N 449.624 5.215 30 10 IKEE COc1ccccc1C=Nn1c(Cc2ccc(Cl)cc2)nnc1SCc1ccccc1 2329101317 LGNHBLPBWNVENQ-UHFFFAOYSA-N 448.979 5.705 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2cccc(Cl)c2)cc1C 2329422076 IEGPDJICBXSRQB-UHFFFAOYSA-N 447.007 6.314 30 10 IKEE O=C(O)c1ccc(C=Nn2c(SCc3ccccc3)nnc2-c2ccccc2Cl)cc1 2329572963 FTJOIRFMWPGRGJ-UHFFFAOYSA-N 448.935 5.471 30 10 IKEE COc1ccccc1C=Nn1c(Cc2ccccc2F)nnc1SCc1ccccc1 2329741231 JEPAMLYXPVUDHA-UHFFFAOYSA-N 432.524 5.191 30 10 IKEE O=C(O)c1ccc(C=Nn2c(SCc3ccccc3F)nnc2-c2cccs2)cc1 2330583177 NUSSBEQFUJXXDT-UHFFFAOYSA-N 438.509 5.018 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(SCCc3ccccc3)nnc2-c2cccs2)cc1 2330586730 ZYGYQOOVGYQDIF-UHFFFAOYSA-N 446.645 6.521 30 10 IKEE Cn1cccc1C=Nn1c(SCc2cccc3ccccc23)nnc1-c1cccs1 2330596756 XDBXIKKPRWMMBZ-UHFFFAOYSA-N 429.574 5.673 30 10 IKEE C[C@H](C(=O)Oc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl)c1ccccc1 2330627518 NFDZACOUDLBWDO-INIZCTEOSA-N 435.863 5.853 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1sccc1C 2330671314 YHVLBEMCXLYQTB-UHFFFAOYSA-N 442.536 6.724 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)c2c(F)cccc2Cl)c(Cl)c1 2331061382 LLJVQMMLDNMAFL-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE Cn1cc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2-c2ccco2)c2ccccc21 2331222490 JQMXIVPNIRCVKG-UHFFFAOYSA-N 447.951 5.858 30 10 IKEE COCC(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1Br 2331242734 FUYRUOBGDPNRDT-UHFFFAOYSA-N 444.108 5.204 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2)cc1 2331315888 DAYFNTRQHQZXHA-UHFFFAOYSA-N 428.528 6.136 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2ccccc2F)nnc1C(C)(C)C 2331396997 YEBICNUYGWFOBL-UHFFFAOYSA-N 426.561 5.678 30 10 IKEE CCCCCCCCC(=O)Oc1c(OC)cc(C=CC(=O)c2ccc(F)cc2)cc1OC 2331521093 CAKSYDVIHDTJAX-UHFFFAOYSA-N 442.527 6.395 30 10 IKEE Oc1ccc(Cl)cc1C=Nn1c(SCc2cccc3ccccc23)nnc1C1CCC1 2331535627 ZVQSRBFSNRMYQA-UHFFFAOYSA-N 448.979 6.232 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)CC(C)C)c([N+](=O)[O-])c1 2331549081 WSWQLUOCZZOVQS-UHFFFAOYSA-N 439.508 5.749 30 10 IKEE Cc1ccsc1C(=O)Oc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1Cl 2331645684 DPGNRVPDGDKXIC-UHFFFAOYSA-N 438.976 7.059 30 10 IKEE O=C(CSc1nnc(C2CC2)n1N=Cc1ccc(Cl)c(Cl)c1)Nc1ccccc1 2331717640 XBYJOPANKLQZIW-UHFFFAOYSA-N 446.363 5.075 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(C=CC(=O)c3c(C)cc(C)cc3C)cc2Cl)c1 2331768692 LNNDPACRAYZRLR-UHFFFAOYSA-N 432.947 6.997 30 10 IKEE C[C@@H]1CN(Cc2ccccc2)CC[C@H]1Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339582309 QAJCTRJUXVPWRX-FAXZBDKVSA-N 433.405 5.049 30 10 IKEE CC1(C)OB(C=Cc2ccc(Nc3cccc(Br)c3Cl)nc2)OC1(C)C 2365108006 WKCHLUUIISPKIG-UHFFFAOYSA-N 435.558 5.886 30 10 IKEE C=CCn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(Cl)cc1Cl 9594833 ZCDQLAZPFASNHH-UHFFFAOYSA-N 449.319 5.321 30 10 IKEE Cc1cccc(/N=C2\S[C@H](CC(=O)c3ccc(C)c(C)c3)C(=O)N2c2cccc(C)c2)c1 15055198 AOHBXJPQGZQVQM-KQWPUEFFSA-N 442.584 6.329 30 10 IKEE CC1(C)[C@@H]2CC[C@@]1(C)/C(=N\N=C1/NC(=O)/C(=C\c3ccc(Br)cc3)S1)C2 20551677 OSOWLGLZNFHGQW-ZQXCDQKPSA-N 432.387 5.211 30 10 IKEE COc1ccc2c(c1)/C(=N/NC(=S)Nc1ccc(Oc3ccccc3)cc1)CC(C)(C)O2 20683591 JZRJFUMRKWZZJP-HPNDGRJYSA-N 447.560 5.739 30 10 IKEE CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(F)c2)cc1 21239869 AKXPKDQMFWUDEL-NGOKVRLYSA-N 440.562 7.103 30 10 IKEE CC(C)Oc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(F)cc2)cc1 21251852 XFVUJLVVXCVFKG-NGOKVRLYSA-N 442.534 6.592 30 10 IKEE Cc1ccc(-c2ccc(CCC(=O)NC[C@H]3CCCO3)n2-c2ccc(CC#N)cc2)c(C)c1 23425724 IWWXZJRDRTYXTJ-RUZDIDTESA-N 441.575 5.055 30 10 IKEE O=C1N/C(=N\N=C\c2ccco2)S/C1=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 33567712 CRDCGMBGLIAIAQ-KINRNKSVSA-N 432.288 5.440 30 10 IKEE O=C(/C=C/c1ccccc1OC(=O)c1ccc2c(c1)OCO2)c1ccc(-c2ccccc2)cc1 34955576 KBFXHGLLRYDVQF-JQIJEIRASA-N 448.474 6.198 30 10 IKEE CC(C)Oc1ccccc1/C=C1\CN(C(C)C)C/C(=C\c2ccccc2OC(C)C)C1=O 39326799 WTVQJPKMQSAAIS-FEZYOMQXSA-N 433.592 6.021 30 10 IKEE CCOC(=O)CSc1nc(-c2ccc(SC(F)F)cc2)cc(C(F)(F)F)c1C#N 39858448 CVSHVGIPWUADDW-UHFFFAOYSA-N 448.438 5.609 30 10 IKEE O=S(=O)(/N=C(\O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1cc(Cl)ccc1Cl 97465341 BKXQVRJJROZXNN-VXGBXAGGSA-N 438.254 5.461 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(C(=O)O)cc2)S/C1=N/c1nc(-c2ccccc2)cs1 101130289 RFPHJYWHNFLZLA-FRYIGISESA-N 435.530 5.132 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2cccc(OC)c2)cc1 169931246 SECZTWCPABNHMI-VWLOTQADSA-N 441.527 5.657 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2ccc(C)cc2)c1 169934970 ZNENSGYDSQKRNP-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2cccs2)cc1 169982976 HTPUDDPBMAWBNK-NRFANRHFSA-N 448.500 5.563 30 10 IKEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccncc1)c1cccc(Cl)c1 170026123 UTVZZUXVCZTDGL-IBGZPJMESA-N 447.903 5.128 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(O)c(Cl)c1 170041123 FZRRKXRVACNKKB-HSZRJFAPSA-N 433.891 5.148 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2ccccc2OC)=C(N2CCC(C)CC2)C1=O 170059649 NMCMKPZKNJAXKI-UHFFFAOYSA-N 440.628 5.648 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1C 170066018 LUQLFPPNRJJHLG-DEOSSOPVSA-N 435.564 5.430 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(C(C)C)cc1 170066974 PLAGLRMFBKFSKN-QHCPKHFHSA-N 431.488 5.190 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccccc1F 170249436 XDMSLEXHKRXVRV-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccccc2F)cc1 170249507 GPNYBUZZQHKKSW-FYSMJZIKSA-N 443.474 5.240 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@H]1c1ccc(CC)cc1 170268115 RKWVEVHBIQGDCY-OAQYLSRUSA-N 446.572 5.669 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccccc2C)c1 170271578 NFJSTZSJXQJIBF-SANMLTNESA-N 433.507 6.240 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccco1 170281746 DERMIXRUDKUVRX-QFIPXVFZSA-N 433.479 5.808 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1c(C)[nH]c2ccccc12 170312334 HRLKPCUOCBPCKT-DEOSSOPVSA-N 444.575 6.071 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(OC(C)C)cc2)cc1 170393415 XMYVAJYEJWZVFD-XMMPIXPASA-N 442.515 5.214 30 10 IKEE CCN(CC)c1ccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@H]2c2cccc(OC)c2)cc1 170429783 LANJKOCAPPUVRO-XMMPIXPASA-N 436.552 5.057 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)C(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)c1 170466495 VWHVNRQQRWBSPP-HSZRJFAPSA-N 435.564 5.898 30 10 IKEE CC(C)C(=O)C1=C(O)C(=O)N(c2cccc3ccccc23)[C@@H]1c1ccc(C(C)(C)C)cc1 170469644 CHIUDBPHHIEUKV-XMMPIXPASA-N 427.544 6.262 30 10 IKEE Cc1nnc(CN(C)[C@@]2(c3ccccc3Cl)CCC/C(=C\c3cccs3)C2=O)o1 221937480 GNHGWRVSQOLAEJ-FOYQMUPJSA-N 427.957 5.257 30 10 IKEE CC(C)(C)c1ccc(-c2nnc(S)n2N=C/C(Br)=C/c2ccccc2)cc1 244828567 TYPNHNNGNDVJIU-UHFFFAOYSA-N 441.398 5.801 30 10 IKEE Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2cccc(C#Cc3ccccc3)c2)cc1 248109696 RVORHGVJNKIMKL-UHFFFAOYSA-N 438.556 5.345 30 10 IKEE O=C(C[C@@H]1SC(=Nc2ccccc2)N(c2ccccc2)C1=O)c1ccc2c(c1)CCCC2 252593204 BJKOPLOZQDQIOT-VWLOTQADSA-N 440.568 5.975 30 10 IKEE C=CCN1C(=O)/C(=C2\Sc3ccccc3N2C)SC1=Nc1cc(C#N)ccc1NCC 254616895 XBJPMINCFMFMCY-YJWRWTPISA-N 447.589 5.150 30 10 IKEE Cc1ccc(-n2c(C)cc(C=Nn3cnc4sc5c(c4c3=O)CCCC5)c2C)cc1C 254669999 NRIDPLRUNPLEBB-UHFFFAOYSA-N 430.577 5.243 30 10 IKEE CC1(C)OB(CCC[C@@H](N)c2cc(Br)c(Br)s2)OC1(C)C 383813606 BYLZDYVESBZDQC-SNVBAGLBSA-N 439.022 5.145 30 10 IKEE CCCCCCCCC[C@@H](N)c1cc(NC(=O)OC(C)(C)C)ccc1Br 406727790 VBZVVJXFUDEMQH-LJQANCHMSA-N 427.427 6.937 30 10 IKEE CCOc1ccc([C@H]2C(c3cccc4ccccc34)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526492409 XBLWEYFYMMGABO-MHZLTWQESA-N 446.506 6.167 30 10 IKEE COc1cc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2cccc(C#N)c2)ccc1OC(C)C 526518438 YAVTYZCRCZFTLT-QHCPKHFHSA-N 446.528 5.473 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(C)o2)cc1Cl 526522158 PPOYWFISDNHDOG-QFIPXVFZSA-N 434.879 5.569 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccc(F)c2)c1 526606490 KXEQYDVOPOIYFY-VWLOTQADSA-N 442.490 5.933 30 10 IKEE COc1ccccc1CN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586143423 XPAKAZYZUDVJKA-UHFFFAOYSA-N 448.588 5.255 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(CCCC#N)c2ccc(N(C)C)cc2)cc1 586233108 JAFGHEWDDNJUDF-UHFFFAOYSA-N 427.614 5.374 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2cc(C)ccn2)cc1 586235570 DAKPWAWWKTZFLE-UHFFFAOYSA-N 447.604 5.780 30 10 IKEE Cc1ccc(N(C(=O)c2cccc(C#N)c2)S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1C 586292142 JNXJKGGXMHZOHM-UHFFFAOYSA-N 446.572 5.508 30 10 IKEE N#Cc1cccc(NC(=O)Nc2cccc(C(=O)NCc3cccc(C(F)(F)F)c3)c2)c1 586701708 GMCDQMDBDCFRFM-UHFFFAOYSA-N 438.409 5.151 30 10 IKEE CC(C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@H]1[C@@H]1CCCCN1C(=O)OC(C)(C)C 698383079 XZQNJZFXRBBITA-JXQFQVJHSA-N 435.609 5.484 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1ccsc1Cl 698497925 PYSYJKMOPOZXIP-AWEZNQCLSA-N 427.751 6.170 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 698876385 UGKOIABLNKSMKR-HOYKHHGWSA-N 435.609 5.486 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@@H](C#N)c1cc(F)cc(Br)c1 698979654 OTYSMGSKCIFUAG-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 698990110 VFJNKMMEZRMYNX-NTKDMRAZSA-N 445.560 5.118 30 10 IKEE CCCCCCCCC[C@H](NC)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 705501613 JIGNDAYTOYMXFD-YFNKSVMNSA-N 434.665 6.214 30 10 IKEE CCCCCCCC[C@@H](NN)c1ccc(I)c(Br)c1 721327980 NRMCTVRMTBLDLQ-OAHLLOKOSA-N 439.179 5.309 30 10 IKEE C=CCC1([C@@H](Cc2ccccc2Br)NCCC)CN(C(=O)OC(C)(C)C)C1 722907767 ANMUOLWFHOMSLB-LJQANCHMSA-N 437.422 5.173 30 10 IKEE CCOc1ccc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2ccccc2CC)cc1 762445551 RFLYMPQKQWTBJP-UHFFFAOYSA-O 430.553 5.130 30 10 IKEE COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=Nc3cc(C)ccc3C)NC2=O)o1 1084255159 ZRCCYDDVIZMLMC-CIAFOILYSA-N 449.488 5.372 30 10 IKEE O=C1C(=NN(c2ccccc2)c2ccccc2)c2ccccc2N1Cc1cccc([N+](=O)[O-])c1 1084607530 PECXDARZTCAFFI-UHFFFAOYSA-N 448.482 5.684 30 10 IKEE Clc1ccc(CSc2n[nH]c(NN=Cc3cccc(Oc4ccccc4)c3)n2)cc1 1084641281 DZSGEAWJJWYTCZ-UHFFFAOYSA-N 435.940 5.989 30 10 IKEE C=CCOc1ccccc1/C=C1\SC(=Nc2nnc(C)s2)N(c2ccccc2)C1=O 1772734505 CLRZPEADHLTQCX-NPPZMEKISA-N 434.546 5.220 30 10 IKEE Fc1ccc(NC(=S)N/N=C\c2cn(-c3ccc(F)cc3)nc2-c2ccccc2)cc1 1857808401 BBXGBDMOTVFHGE-WGARJPEWSA-N 433.487 5.138 30 10 IKEE N#Cc1ccc(NC(=O)c2nn(-c3ccccn3)c(-c3ccc(Cl)cc3)c2Cl)cc1 1859388179 URXCKDZNOIOSCI-UHFFFAOYSA-N 434.286 5.365 30 10 IKEE CCCCCCCCCCNc1cc(N2CCCCCC2)nc(-c2ccc(Cl)cc2)n1 1859792761 OAAFQMYLBDANOQ-UHFFFAOYSA-N 443.079 7.730 30 10 IKEE CCCCCCCCCOc1ccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1 1860150743 TXWOFOZQAXBYKZ-UHFFFAOYSA-N 436.552 5.441 30 10 IKEE N#Cc1cccc(NC(=O)c2cccc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)n2)c1 1860563457 YVKSCWYUKIBHED-CSKARUKUSA-N 437.286 5.164 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)COc1ccccc1CC 1861799358 MBPDJLRXOBMJSV-QHCPKHFHSA-N 432.649 5.560 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(C(C)(C)C)cc2)n(-c2ccc(Cl)cc2)n1 1862365723 BUXDRMSWBFRCKT-UHFFFAOYSA-N 433.983 6.304 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2ccccc2)cc1 1862415133 PVKLMNMOWAIDTG-XMMPIXPASA-N 447.481 5.867 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(C)c1 1862442222 HIRBSFOTBUQWLD-GMAHTHKFSA-N 439.983 6.586 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C34CC5CC(CC(C5)C3)C4)[C@@H]2c2cccc(O)c2)cc1 1862475703 SFJKZSKEWKQNBM-RZNVFEIWSA-N 443.543 5.248 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1c(Cl)cccc1Cl 1862482801 VENYHDPGZNCYQY-HXUWFJFHSA-N 432.347 6.070 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc(N(C)C)cc2)c1 1862492834 BDKOREZDFBGMLJ-NIDLKEISSA-N 446.591 5.526 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862501334 ANHWYCJTGDDUCP-DEOSSOPVSA-N 447.481 5.614 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@@H]2c2cccc(C)c2)cc1 1862533386 MASVFJBGEBEANQ-AREMUKBSSA-N 439.555 5.687 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(C(F)(F)F)cc1 1862551062 PFVIVWJXAAQWSM-NRFANRHFSA-N 443.465 5.573 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1cccc(C)c1 1862639019 OXMZJZPESXIPSO-QFIPXVFZSA-N 425.500 5.301 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2ccccc2C)cc1 1862686969 FONWUWUIJKSZJF-DEOSSOPVSA-N 427.500 5.091 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc(OCC)c1 1862694189 DDCYLBDCPGBTFD-QHCPKHFHSA-N 437.536 5.253 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)c1 1862713806 XDIBZGPXDJVGEH-GJQIQAERSA-N 439.555 6.305 30 10 IKEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccc(O)cc2)cc1 1862731918 ALFPXXXRKQWMKQ-DEOSSOPVSA-N 449.547 5.482 30 10 IKEE Cc1cc(C2=C(Nc3ccc(F)cc3Cl)C(=O)N(c3ccc(C#N)cc3)C2=O)ccc1F 1863093340 MLFWQNVUJTUJJW-UHFFFAOYSA-N 449.844 5.195 30 10 IKEE Cc1ccc(C)c(NC2=C(c3ccc(F)c(C)c3)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1863094604 BVXCBSMCXYSIJG-UHFFFAOYSA-N 425.463 5.019 30 10 IKEE Cc1cc(C2=C(Nc3ccc(C(C)C)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)ccc1F 1863094919 HNIUEXHSMTUIIE-UHFFFAOYSA-N 439.490 5.526 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(OCC)cc2)C1=O 1863210712 KVAOZIWTRUGUGE-JOCHJYFZSA-N 445.563 5.508 30 10 IKEE CC(C)Oc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 1863357354 IUMZZLYYDNSLBQ-WZONZLPQSA-N 443.547 5.116 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccccc3C#N)C(=O)N(CCC3=CCCCC3)C2=O)c1 1863409060 WURGFBWOXHBPPM-UHFFFAOYSA-N 425.532 5.258 30 10 IKEE CCCCCCCCNC1=C(c2ccc(OCCC)cc2)C(=O)N(Cc2ccccc2)C1=O 1863678301 KRQDFZKLAOQTCE-UHFFFAOYSA-N 448.607 5.706 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 1866029632 XHATXJGLHGAIOO-MJNJOSISSA-N 445.776 8.969 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N1CCN(c2ccc(F)cc2)CC1 1866342430 LIFSIYYWOFUGAK-UHFFFAOYSA-N 446.695 7.736 30 10 IKEE CC[C@](C)(NC(=O)C[C@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866746375 OQOAQKQSOVONOK-IGKIAQTJSA-N 433.596 5.735 30 10 IKEE CC[C@H](C(=O)N[C@@H](C(=O)Nc1ccc(C#N)cc1)c1ccccc1)c1ccc(Cl)cc1 1866953412 ZILUGEHZXQRXBM-XZOQPEGZSA-N 431.923 5.201 30 10 IKEE CC[C@](C)(NC(=O)c1cccc(Oc2ccccc2)c1)C(=O)N[C@@H](C#N)c1ccc(C)cc1 1867702492 ZGGPKKSIXBVGOZ-IGKIAQTJSA-N 441.531 5.067 30 10 IKEE CCCc1nc(Nc2ccccc2C#N)cc(N2CCC[C@@H]2Cc2ccc(Cl)cc2)n1 1868399069 ZAWRXDYMDOFGBP-OAQYLSRUSA-N 431.971 5.909 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)cc1C 1870090593 TUHVQTJARPAVHH-UHFFFAOYSA-N 443.544 5.223 30 10 IKEE CCCCCCOc1ccc(C(=O)Nc2c(C#N)nnn2-c2cc(Cl)ccc2C)cc1 1870144027 LFADDGWZQXULIA-UHFFFAOYSA-N 437.931 5.312 30 10 IKEE CCCCCCCOc1cn(CCC2=CCCCC2)c(CN2CCC(O)CC2)cc1=O 1870416603 GEYTUPWHGPAGSM-UHFFFAOYSA-N 430.633 5.045 30 10 IKEE CCCCCCCOc1cn(CCC2=CCCCC2)c(CN2CCC[C@@H](C)C2)cc1=O 1870416976 XUORUJKFOBVRIL-HSZRJFAPSA-N 428.661 6.320 30 10 IKEE C#CCOc1cn(CCCCCCCCCC)c(CNc2ccc(Cl)cc2)cc1=O 1871005891 FKZAIQRKVFZORM-UHFFFAOYSA-N 429.004 6.267 30 10 IKEE C=CCn1cc(OCCCOc2cccc(C)c2)c(=O)cc1CNc1cc(C)cc(C)c1 1871219896 RRBPOVGDKWCCBW-UHFFFAOYSA-N 432.564 5.420 30 10 IKEE CCCCCCCCNC(=O)c1sc(-c2ccc(Oc3ccc(F)cc3)cc2)nc1C 1871276563 HSEAVRNRPSLYFP-UHFFFAOYSA-N 440.584 7.140 30 10 IKEE CCCCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1cc(OC)ccc1OC)C3=O 1871351939 IKFQLGCNHGZYGH-UCQKPKSFSA-N 437.536 5.361 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc3c2CN(C24CC5CC(CC(C5)C2)C4)CO3)C1=O 1871353247 ODXPUNIAPHYRGU-GATIEOLUSA-N 427.544 5.732 30 10 IKEE Cc1cccc(CN2COc3c(cc4c(c3C)O/C(=C\c3ccc(C(C)C)cc3)C4=O)C2)c1 1871359399 NOMMIIZEKKSLFO-ZMFRSBBQSA-N 439.555 6.395 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OC(=O)c4c(F)cccc4Cl)c3C)C2=O)c1 1871375675 XNZUOMKGKBVUOL-NDENLUEZSA-N 438.838 5.632 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2OCC)C3=O)cc1 1871387459 WIVZGYAVGIWWCN-IWIPYMOSSA-N 444.483 5.628 30 10 IKEE Cc1cc(O)c(CN2CCCC[C@@H]2CCO)c2c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O2 1871395938 DDAYCCYMNOLYHS-RRFFURKPSA-N 435.564 5.177 30 10 IKEE Cc1c(OCCCc2ccccc2)ccc2c1O/C(=C\c1ccc(Cl)cc1Cl)C2=O 1871399072 BZLQXBVILZBFBK-UCQKPKSFSA-N 439.338 6.930 30 10 IKEE Cc1cc(C)c(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2cccs2)C3=O)c(C)c1 1871403557 ZKCXRBJTOBKRNT-FPJJECCMSA-N 447.556 6.004 30 10 IKEE Cc1c(OCc2ccc(C#N)cc2)ccc2c1O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 1871417584 KVEPTNKPLMKRDX-JJFYIABZSA-N 436.294 6.369 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1ccc2c(c1)O/C(=C\c1ccc(CC)cc1)C2=O 1871432436 CENJUXNCNPSRKY-BQHBAAMWSA-N 436.548 6.146 30 10 IKEE Cc1cc(OCC(=O)NC2CCCCC2)cc2c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O2 1871438156 OWUFNGXWEIMHRP-IWIPYMOSSA-N 447.575 5.736 30 10 IKEE CC(C)(C)c1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871445129 KFWQUTAOPFFFPH-OYKKKHCWSA-N 445.490 5.757 30 10 IKEE COc1ccc(CCOc2ccc3c(c2C)O/C(=C\c2cn(C)c4ccccc24)C3=O)cc1 1871448091 KETLOQYRHMLLFE-QQXSKIMKSA-N 439.511 5.733 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 1871802001 QVWZCMWSEAYXKE-JOCHJYFZSA-N 449.016 5.413 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@H](C)CC)S(=O)(=O)CC 1871858775 ZHSOXFQNSQOKGA-XXBNENTESA-N 444.597 5.060 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)[C@@H](C)CC)S(=O)(=O)CC 1872340397 XXQLWGQIYYDFQY-CVDCTZTESA-N 436.662 5.514 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccc(CC)cc3)n2)cc1 1872770007 GNDZZBGUXCRCOI-QHCPKHFHSA-N 448.588 6.197 30 10 IKEE COc1ccc(OC)c(-c2csc([C@@H](C#N)C(=O)CCCOc3ccc(C)cc3)n2)c1 1872771533 WSBPVZRGBIHQPK-FQEVSTJZSA-N 436.533 5.171 30 10 IKEE C[C@H](Oc1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1nc(-c2cccc3ccccc23)cs1 1872775720 YHACMHRGSWQQSE-YCRPNKLZSA-N 432.932 6.260 30 10 IKEE CC(C)(C)c1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3ccc(F)cc3)cs2)cc1 1872776747 WNIROWZXUUIZPH-NRFANRHFSA-N 436.552 6.282 30 10 IKEE CCCc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc1 1872781648 XBOCFCRYRRWSPY-OAQYLSRUSA-N 434.561 5.643 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)Cc2c[nH]c3ccccc23)n1 1872785014 CKFDAHNXNILELC-NRFANRHFSA-N 427.573 6.316 30 10 IKEE CCCOc1cccc(NC(=O)c2cccc(CSc3nc(C)c(C)c(C)c3C#N)c2)c1 1872893113 HUBDEQLUNYQKNB-UHFFFAOYSA-N 445.588 6.212 30 10 IKEE CCCCCCCCNC1=C(c2c(Cl)cccc2Cl)C(=O)N(CC(C)C)C1=O 1873095365 ANYFMVSDMSUAQH-UHFFFAOYSA-N 425.400 5.679 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Cl)c(Cl)c2)=C(c2cccc(Cl)c2Cl)C1=O 1873341483 JKXBXWCAMPSZRE-UHFFFAOYSA-N 442.129 5.678 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)cc2)cc2c(NCc3ccccc3F)ncnc21 1873637214 RJMURNTXOMNWPW-UHFFFAOYSA-N 435.890 5.274 30 10 IKEE C=CCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccccc1Cl 1874232506 NDCXXJWLHMAGDN-YZSQISJMSA-N 432.980 6.030 30 10 IKEE CCCSc1nnc(COc2ccc(OCC)cc2)n1/N=C/c1ccc(OCC)cc1 1874236693 VLYCQTJNQHFPKL-LFVJCYFKSA-N 440.569 5.039 30 10 IKEE CCCSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874321220 GHHGFJFOQJRGGS-LGJNPRDNSA-N 448.514 5.877 30 10 IKEE Cc1ccc(OCc2nnc(SCCc3ccccc3)n2/N=C/c2cccn2C)c(C)c1 1874327586 ATAKCMVNJSKTKD-YZSQISJMSA-N 445.592 5.029 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2cccc(O)c2)cc1C 1874358365 CXUZTWZCQZAGOE-WGOQTCKBSA-N 428.561 5.366 30 10 IKEE C=CCSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1ccc(Br)cc1 1874399830 DAOZMHZKPWRIEK-QQHUYRGFSA-N 427.371 5.353 30 10 IKEE Cc1ccccc1/C=N/n1c(CCc2ccccc2)nnc1SCCc1ccccc1 1874403605 IPPIBFORHROAHP-NHFJDJAPSA-N 426.589 5.589 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2Cl)c1 1874418212 FMDHFQCPDPYZRH-CVKSISIWSA-N 448.979 5.711 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3cccc(F)c3)nnc2C(F)(F)F)c1 1874460905 LXUKTRLGNZTCPX-BRJLIKDPSA-N 438.450 5.399 30 10 IKEE CCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1/N=C/c1cccc2ccccc12 1874524084 WGQKHUBGTRSGMR-CVKSISIWSA-N 443.576 5.224 30 10 IKEE COc1cc(Br)cc(/C=C/C(=O)c2ccc3ccccc3c2)c1OCCCO 1874571318 HJJYXPKNLMDPKQ-MDZDMXLPSA-N 441.321 5.268 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccccc1OCC(=O)NCc1ccco1 1874589957 LPLLWUNOHIMKDH-WYMLVPIESA-N 431.532 5.477 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCc3cccc(C)c3)ccc3ccccc23)cc1Cl 1874590826 KKDSEDYFYJCFIT-OUKQBFOZSA-N 442.942 7.285 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1OCc1ccc(F)cc1 1874595875 ANYVXOZXVDALRK-ONNFQVAWSA-N 431.290 6.616 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(Cl)c1OCCc1ccccc1 1874605077 GOWKHDXREMYIGX-OUKQBFOZSA-N 436.935 6.265 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(OC)c(OCc3cc(C)ccc3C)c(OC)c2)c1 1874605485 QXGPWDFXDDGMJD-VAWYXSNFSA-N 432.516 5.804 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccc(F)cc1 1874610675 FSELPIJNHSUIOE-LFYBBSHMSA-N 437.423 5.226 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(OC)c(OCCc3ccccc3)c(OC)c2)cc1 1874616860 WZBBEDYPUPBKDC-XNTDXEJSSA-N 446.543 6.010 30 10 IKEE C=CCOc1ccc(/C=C/C(=O)c2cc(OCC)ccc2OCC)cc1Br 1874630577 IVIIWUCBJZAFLC-JXMROGBWSA-N 431.326 5.707 30 10 IKEE CCOc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(-c4ccccc4)cc3)c2)cc1 1874692903 CNDAHRDITHWLDX-RGVLZGJSSA-N 448.518 6.868 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(F)cc3)c2)cc1 1874701768 JKFRDUYBBZUFJR-LNKIKWGQSA-N 434.463 5.738 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)CCCSC)c2)cc1 1874701823 KYLNBLOAILTTNK-NTUHNPAUSA-N 428.550 5.429 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OC(=O)CSc1ccccc1 1874703172 CAJQGEFLZXFCMZ-ACCUITESSA-N 432.541 5.906 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OC(=O)c1cccc([N+](=O)[O-])c1 1874703939 OOGXWMKFMVZTRO-UXBLZVDNSA-N 435.407 5.166 30 10 IKEE CCc1ccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c(Cl)c3)c2)cc1 1874716902 OPTUQLKKTBCRTC-SDNWHVSQSA-N 448.946 6.345 30 10 IKEE O=C(Cc1cccs1)Oc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1Cl 1875096589 VMZIWULMFWPPFB-YRNVUSSQSA-N 432.928 6.599 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OC)c([N+](=O)[O-])c3)cc2)cc1C 1875107125 BFDVJNHAQOTFKR-IZZDOVSWSA-N 447.443 5.036 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)[C@@H]1CCCO1 1875121825 JTVZAEWSLNJPFU-ZJVMWOEPSA-N 426.896 5.058 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3Cl)cc2)cc1 1875136187 BJFZDXNNIGNCGA-CXUHLZMHSA-N 434.919 6.173 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1ccccc1Cl 1875136339 JVVQWDUHORVUOJ-NTCAYCPXSA-N 446.930 6.501 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC(=O)Cc1ccc(C)cc1 1875144209 KFGJSGXROUVJKZ-ZRDIBKRKSA-N 430.500 5.365 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1ccc(C)c(C)c1 1875157373 VLOZKGXMNNLANR-OVCLIPMQSA-N 442.555 6.941 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1OC(=O)CCCSC 1875159502 FFMWGOLSZJJRIS-IZZDOVSWSA-N 447.484 5.077 30 10 IKEE COc1cccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3cc(C)cc(C)c3OC)cc2)c1 1875169142 BOQBODRQONMVPO-JLHYYAGUSA-N 446.499 5.201 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2sccc2C)c(Cl)c1 1875170535 CYZLAHGOGKQKOH-FNORWQNLSA-N 440.948 6.451 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(F)cc2)c(Cl)c1 1875170546 DOTBLZBEKJVWLG-ONNFQVAWSA-N 438.882 6.220 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]([C@](C)(C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 1877860951 NGVHLXNBRUQJJJ-DFIYOIEZSA-N 443.588 5.399 30 10 IKEE C=C([C@@H](NCCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1)[Si](C)(C)C 1923016961 WIXBAEKTGYSEDN-GOSISDBHSA-N 441.486 6.270 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1943912921 QEGZXXJDBYFGJM-MBSDFSHPSA-N 449.979 5.811 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1945525521 PDXIKFMDCUSYFJ-SXLOBPIMSA-N 429.561 5.274 30 10 IKEE C[C@H]1CN(Cc2ccccc2)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1949314809 SMAKVIKVUPTDPD-DFBJGRDBSA-N 439.987 5.886 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)C1(C#N)CC2(CCC(NC(=O)OC(C)(C)C)CC2)C1 2007727106 JLLDZCYGCZYEFG-UAVYHJTASA-N 435.609 5.532 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(Cc2ccccc2)[C@H](C)C1 2037526897 LDNMMLRGXVVZRK-FQRUVTKNSA-N 435.568 5.384 30 10 IKEE CCCOc1ccc(C=CC(=O)c2ccc3c(c2)Nc2ccccc2S3)c(OCCC)c1 2040456589 BSXCEIFYZAJMOI-UHFFFAOYSA-N 445.584 7.369 30 10 IKEE CCC(C)(C)c1ccc(Oc2ccc(N=CC=C3N(C)c4ccccc4C3(C)C)cc2)cc1 2040465881 QJFBBUIYMIBCDH-UHFFFAOYSA-N 438.615 8.180 30 10 IKEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(C)cc1 2045240009 JWOSMPSFYXYUFS-KBMIEXCESA-N 443.588 5.666 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)C2(C#N)CC(CCNC(=O)OC(C)(C)C)C2)cc1 2056504627 RMWHXRPXLKKWBP-UHFFFAOYSA-N 445.560 5.024 30 10 IKEE CC(C)(C)c1nn(-c2ccc(C(F)(F)F)c(F)c2)c(C(F)(F)F)c1Br 2078976992 GLMPGHZMBCEANF-UHFFFAOYSA-N 433.165 6.109 30 10 IKEE Cc1ccc([C@H](C2CC2)n2nc(C(C)C)c(/C=N/O)c2I)c(C)c1 2079026533 DHDUBHKMPSXKGK-FWOHHPOZSA-N 437.325 5.035 30 10 IKEE CCc1nn([C@H](c2cc(C)c(C)cc2C)C(C)(C)C)c(I)c1C#N 2079124000 FZEYBXWMMYERDZ-GOSISDBHSA-N 435.353 5.483 30 10 IKEE CC(C)(C)c1nn([C@H](c2ccc(C3CCC3)cc2)C(C)(C)C)c(Br)c1C=NO 2079984014 HHPZNLAOTFSACB-HXUWFJFHSA-N 446.433 6.654 30 10 IKEE N#Cc1c(C2CCCCC2)nn(Cc2ccc(C(F)(F)F)c(F)c2)c1Br 2080304493 ULGVXMYUXZKSDC-UHFFFAOYSA-N 430.243 5.771 30 10 IKEE CCCn1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)c(C)s2)nc2ccccc21 2084270780 XFMJYNZQRVFZBZ-GOSISDBHSA-N 446.601 5.847 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Cl)cc(Br)c1 2136654764 BKQABDCBMHEMFK-MSOLQXFVSA-N 445.829 6.003 30 10 IKEE C=CCN(CC[C@H](NCCC)c1c(Br)cnn1C(C)C)C(=O)OC(C)(C)C 2155517155 REJCFHRTXBHMFU-KRWDZBQOSA-N 443.430 5.080 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](CNc2ccc(C#N)c(Br)c2)[C@H]2CCCC[C@@H]21 2179394049 WPSKMVNLKFYODE-WDYCEAGBSA-N 434.378 5.158 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CC[C@H]2Nc2ccc(C#N)c(Br)c2F)CC1 2189322704 FZDZPXLLWPUXOO-OAHLLOKOSA-N 438.341 5.051 30 10 IKEE CCCCCCCCCC[S@@](=O)C(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2195281412 BGCJDJAGLPHJMA-WENCNXQZSA-N 439.618 5.034 30 10 IKEE C#CC[C@H](C[C@H](NCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1)C1CC1 2196857838 XZWGMRZCFMWDEU-UZLBHIALSA-N 435.406 5.886 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H](Nc2cc(Br)ccc2C#N)C(F)(F)CC1 2197022039 APVPAYHIMLDGER-MRXNPFEDSA-N 444.320 5.158 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@](Nc3cc(Br)c(C#N)cc3F)(C2)C1 2203538249 HZUILADPRWIPRW-RNODOKPDSA-N 438.341 5.051 30 10 IKEE CC(C)(C)[C@H]1CC=C(C(=O)c2ccc(Br)cc2I)CC1 2207271810 KFIDLYFESXWCBH-LBPRGKRZSA-N 447.154 6.009 30 10 IKEE CN[C@@H](C#Cc1cccc(Cl)c1)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2239562917 LFGCTLAXDOYSIH-IBGZPJMESA-N 449.776 5.762 30 10 IKEE C=CCCC1([C@@H](N)c2cccc(Cl)c2Br)CN(C(=O)OC(C)(C)C)C1 2259403736 CZLPTYCHSIFYCK-INIZCTEOSA-N 429.786 5.306 30 10 IKEE Cc1cc(Br)c(C(=O)Nc2sccc2C#N)cc1NC(=O)OC(C)(C)C 2269658631 QMGDQTWRADTMCV-UHFFFAOYSA-N 436.331 5.290 30 10 IKEE O[C@H](C#Cc1cccc(Br)c1)c1ccc(Br)cc1Br 2278781186 JPIYTHSOVXKASC-OAHLLOKOSA-N 444.948 5.059 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@]2(CNc3c(Br)cccc3C#N)CCC[C@@H]12 2285184494 NCOOLEFYMYJXSN-UTKZUKDTSA-N 434.378 5.302 30 10 IKEE CCC[C@H](CCNC(=O)OC(C)(C)C)CC[C@@H](N)C#Cc1ccc(Br)cc1 2296304253 FDFROFWSHYZUOP-FXAWDEMLSA-N 437.422 5.239 30 10 IKEE CCCCN(C)C[C@H](O)Cn1cc(C=CC(=O)c2ccc(OCC)cc2)c2ccccc21 2297359229 CIDKBTYELUXBPC-QHCPKHFHSA-N 434.580 5.029 30 10 IKEE O=C(C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(C(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1 2313538548 OXTHCMFUXVRIEM-UHFFFAOYSA-N 428.400 5.295 30 10 IKEE CC(C)c1ccc(C=C2SC(=Nc3ccncc3Cl)N(C3CCCCC3)C2=O)cc1 2314543240 YVUFMZCMUWIPGH-UHFFFAOYSA-N 440.012 6.795 30 10 IKEE Cc1ccccc1COc1ccc2c(c1C)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2321742650 UKGZHRUVHYVTDE-UHFFFAOYSA-N 425.311 6.805 30 10 IKEE O=C1C(=Cc2ccccc2Cl)Oc2c1ccc1c2CN(Cc2cccc(Cl)c2)CO1 2322210995 ACBFMIQJCZCWLH-UHFFFAOYSA-N 438.310 5.962 30 10 IKEE CCCOc1ccc(Br)cc1C=CC(=O)c1cc(C(C)(C)C)ccc1OC 2322768972 BRDVFLYDIBRECL-UHFFFAOYSA-N 431.370 6.440 30 10 IKEE O=C(Cc1ccccc1)Oc1ccc2c(c1)OC(=Cc1cccc(Br)c1)C2=O 2322884452 WNJNYVFDUFXFNR-UHFFFAOYSA-N 435.273 5.213 30 10 IKEE Cc1cc(OC(=O)Cc2ccccc2[N+](=O)[O-])cc2c1C(=O)C(=CC=Cc1ccccc1)O2 2323395987 FLSOIJGSJYNVFP-UHFFFAOYSA-N 441.439 5.224 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OCc3ccc(F)cc3)c(OC)c2)cc1C 2323561159 IQUOXGYJADGCHD-UHFFFAOYSA-N 436.479 5.635 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2F)cc(OC)c1OCc1ccccc1C 2323743499 CFCUVIQXRHUUDC-UHFFFAOYSA-N 434.482 6.485 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)cc(C)c3C2=O)c1 2323813530 WZYOXDDWSWJKEL-UHFFFAOYSA-N 444.483 5.626 30 10 IKEE COc1c(Cl)cc(C=NNc2nc(-c3ccc(Cl)cc3)cs2)c(OC)c1Cl 2323852184 OOLABTPWHBYLTE-UHFFFAOYSA-N 442.755 6.234 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCCCOc4ccc(Cl)cc4)cc(C)c3C2=O)cc1 2324561173 FLSOHOAOCUSQJB-UHFFFAOYSA-N 448.946 6.675 30 10 IKEE CCCOc1c(Br)cc(C=CC(=O)c2ccc(OC)c(Cl)c2)cc1OC 2324622982 HVZAORUYUSEWQP-UHFFFAOYSA-N 439.733 5.805 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3cc(C)ccc3C)cc2)c(OC)c1OC 2324718684 QOLXGHNHTDSNDZ-UHFFFAOYSA-N 432.516 5.804 30 10 IKEE Cc1cc(C)c(COc2ccc3c(c2C)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)cc1C 2324765417 ZEZLWZOKZDIDPT-UHFFFAOYSA-N 429.472 6.024 30 10 IKEE N#C[C@H](C(=O)C=Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(Cl)s2)cs1 2324817330 RAJDSHNBGBQIGS-LLVKDONJSA-N 439.776 6.721 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4c(C)cccc4C)cc(C)c3C2=O)o1 2325145651 VCKASUMQKVTPOQ-GOSISDBHSA-N 431.488 5.535 30 10 IKEE CN(C)c1ccc(C=CC(=O)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 2325509537 MSFXDYNCCMAALI-UHFFFAOYSA-N 430.348 5.011 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(C(F)(F)F)cc1 2325556085 YFEWABJLWUATBA-UHFFFAOYSA-N 438.906 6.077 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCC(=O)Nc4ccc(F)c(Cl)c4)ccc3C2=O)c1 2325592808 NGHKBLVMUJZGHF-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccccc1[N+](=O)[O-] 2325610327 FYSQGQHLEFBBBZ-UHFFFAOYSA-N 436.324 5.230 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(OC(=O)CC(C)C)c(OC)cc2Br)cc1 2325705081 VJZHYBBONRXIEB-UHFFFAOYSA-N 445.353 5.868 30 10 IKEE O=C(Cc1ccccc1F)Oc1cccc(C=CC(=O)c2ccc(Br)cc2)c1 2325716064 CTYILDQAWAVSBH-UHFFFAOYSA-N 439.280 5.632 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1OC(=O)CSc1ccccc1 2325727777 KXMQPXYSSXLNNR-UHFFFAOYSA-N 438.932 5.942 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)CCc3ccc(OC)cc3)c2)cc1 2325739530 MOGKHOXWONVZSW-UHFFFAOYSA-N 444.527 5.918 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2cc(C)ccc2C)cc1OC(=O)C(C)C 2325740285 LNKMNMXKXUGHQJ-UHFFFAOYSA-N 431.326 5.532 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3cccc4ccccc34)c2)cc1F 2325748420 FZSXKMRGFMMNRM-UHFFFAOYSA-N 440.470 6.032 30 10 IKEE CC(C)c1ccccc1OCCCC(=O)Oc1cccc(C=CC(=O)c2ccc(F)cc2)c1 2325751455 FWCGUJHBCYNARC-UHFFFAOYSA-N 446.518 6.610 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2cccc(OC(=O)Cc3ccccc3[N+](=O)[O-])c2)c1C 2325756711 KZNLOFAFXZLINQ-UHFFFAOYSA-N 443.499 5.873 30 10 IKEE CCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccccc1F 2325809357 MDBDKAJHRNKQQB-UHFFFAOYSA-N 446.979 5.693 30 10 IKEE CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccc([N+](=O)[O-])cc1 2326112794 RZPIJSSPJWXBCO-UHFFFAOYSA-N 445.932 5.030 30 10 IKEE COc1cc(C=Nn2cnnc2SCc2cccc3ccccc23)cc(Cl)c1OC 2326632592 VAZDPQWQRUOTSH-UHFFFAOYSA-N 438.940 5.276 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OC)c(OC)c2)n1N=Cc1cccc(Cl)c1 2326752520 QTNVYYWWUBWJFW-UHFFFAOYSA-N 442.972 5.090 30 10 IKEE CCCOc1cccc(C=Nn2c(CCCOc3cccc(C)c3)nnc2SCC)c1 2326991834 ZALCNVRVZWURTN-UHFFFAOYSA-N 438.597 5.381 30 10 IKEE CCCSc1nnc(COc2cc(F)ccc2F)n1N=Cc1ccc(C(C)(C)C)cc1 2327484809 CXKHEZKEEOSVSG-UHFFFAOYSA-N 444.551 5.817 30 10 IKEE Clc1ccccc1OCc1nnc(SCc2ccccc2)n1N=Cc1cccnc1 2327656236 QNOJDRVRSRLFKO-UHFFFAOYSA-N 435.940 5.080 30 10 IKEE C=CCSc1nnc(CCc2cccc(OC)c2)n1N=Cc1cccc(OCCC)c1 2328652430 OLYUJBGLBKTVSW-UHFFFAOYSA-N 436.581 5.021 30 10 IKEE Fc1cccc(CSc2nnc(Cc3ccc(Cl)cc3)n2N=Cc2ccncc2)c1 2329085478 ZWKKPDXBXJAPAW-UHFFFAOYSA-N 437.931 5.231 30 10 IKEE COc1ccc(Cc2nnc(SCc3cc(C)ccc3C)n2N=Cc2ccccc2)cc1 2329280908 KMWDSWIBBYDESQ-UHFFFAOYSA-N 442.588 5.669 30 10 IKEE CCCOc1c(C=Nn2c(Cc3ccc(C)c(C)c3)nnc2SCC)cccc1OC 2329413877 BMTYOFQKYUZPMN-UHFFFAOYSA-N 438.597 5.277 30 10 IKEE CCSc1nnc(Cc2ccccc2F)n1N=Cc1ccc(OCc2ccccc2)cc1 2329730782 CTZSKLCUCLVLAC-UHFFFAOYSA-N 446.551 5.581 30 10 IKEE CCc1ccc(C=Nn2c(COc3ccccc3)nnc2SCc2ccccc2F)cc1 2329918746 MQZKREYRXSXROC-UHFFFAOYSA-N 446.551 5.733 30 10 IKEE COc1ccccc1C=Nn1c(SCc2cccc(C)c2)nnc1[C@@H](C)c1ccccc1 2330069267 IOVBVZLFLJEERJ-FQEVSTJZSA-N 442.588 5.921 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCC)NC(=O)C=Cc1ccc(Br)cc1 2330492349 MXXALUAUXQLFPX-FQEVSTJZSA-N 437.422 5.224 30 10 IKEE CC(=Cc1cccc(Cl)c1)C(=O)N[C@H](C(=O)Nc1cccc(C#N)c1)c1ccccc1 2330517802 UYTKCZDOMODJBX-QHCPKHFHSA-N 429.907 5.111 30 10 IKEE O=C(O)c1ccccc1C=Nn1c(SCc2cccc(F)c2)nnc1-c1cccs1 2330556886 XPIMDEDWEVYJFH-UHFFFAOYSA-N 438.509 5.018 30 10 IKEE Clc1ccc(CSc2nnc(-c3cccs3)n2N=Cc2cccnc2)c(Cl)c1 2330608638 FZKCNIOMLCNUAC-UHFFFAOYSA-N 446.388 5.883 30 10 IKEE C=CCSc1nnc(-c2ccccc2)n1N=Cc1cccc(OCc2ccccc2)c1 2330678352 OKNFIBRNRVQEKI-UHFFFAOYSA-N 426.545 5.684 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3cnc(C)cn3)c(OC)c2)cc1 2330736933 BWWUQNBQLBUDGN-UHFFFAOYSA-N 436.895 5.125 30 10 IKEE Cc1ccccc1CSc1nnc([C@@H]2CCCO2)n1N=Cc1ccc(C(F)(F)F)cc1 2330896040 CIAJWCOOWFIVDY-IBGZPJMESA-N 446.498 5.631 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(OC)c1OC(=O)Cc1ccccc1 2330911059 PMSCSIDWBWGFLD-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1Cl 2330911452 NCXOCFYQMYLTIH-UHFFFAOYSA-N 429.274 6.177 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)cc2)cc(OC)c1OC(=O)c1ccc(F)cc1 2330980242 LNQKKXMAASAKPS-UHFFFAOYSA-N 446.474 5.687 30 10 IKEE Cc1ccccc1CSc1nnc(C2CCCC2)n1N=Cc1c(F)cccc1Cl 2331030160 ANRWNRCPKBOGGZ-UHFFFAOYSA-N 428.964 6.211 30 10 IKEE Cc1ccccc1CSc1nnc(C2CCCC2)n1N=Cc1ccc2c(c1)OCCO2 2331030192 FHSWOYMQEKFKSK-UHFFFAOYSA-N 434.565 5.190 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1Cl 2331143988 XDIIKCQWQGUURX-UHFFFAOYSA-N 433.375 7.546 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 2331146270 OOBYYVBXYOUHST-UHFFFAOYSA-N 439.826 5.432 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1Cl 2331154421 AECAKSWRIJTYON-UHFFFAOYSA-N 441.310 6.507 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)Cc1ccc(C)cc1 2331318170 CLAIITYXDCNSRV-UHFFFAOYSA-N 444.527 5.673 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)COc1ccc(C)cc1C 2331349180 XYNCEMPSAGBUME-UHFFFAOYSA-N 448.490 5.640 30 10 IKEE CCc1ccc(C=Nn2c(SCC(=O)Nc3cccc(C)c3)nnc2C(C)(C)C)cc1 2331376656 DCUVSICLWVKLSP-UHFFFAOYSA-N 435.597 5.059 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc(Cl)c2)c(Cl)c1)c1ccc2c(c1)OCO2 2331439787 MHTZPFHSDLDGRR-UHFFFAOYSA-N 441.266 5.837 30 10 IKEE COc1cc(C=Nn2c(SCc3ccccc3F)nnc2C2CCC2)cc(Cl)c1O 2331521153 GXEXAJPBYIXGGE-UHFFFAOYSA-N 446.935 5.227 30 10 IKEE COc1cccc(OCC(=O)Oc2ccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)cc2)c1 2331644758 WTWBZJFDBPGDSV-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE CCCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1N=Cc1ccc(Cl)cc1 2331646903 CMGSZYNNMGZKNI-UHFFFAOYSA-N 441.988 5.114 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C(C)(C)C)ccc3C)cc2)c1 2331786938 GIAPBUYFZFQEDX-UHFFFAOYSA-N 442.555 6.807 30 10 IKEE C=C(C)[C@H]1CC[C@@]2(CO)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)C(=O)CC[C@@]34C)[C@H]12 2333224065 JYDNKGUBLIKNAM-NTCNNDGISA-N 440.712 7.205 30 10 IKEE CCN[C@@H](C#CC1(SC)CC1)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2336246477 SVBGJFSJOOLXGU-INIZCTEOSA-N 439.419 5.346 30 10 IKEE C#CCN(C[C@H](NCCC)c1cc(Cl)cc(Br)c1F)C(=O)OC(C)(C)C 2337102930 SIIBMQZMCGYIFW-INIZCTEOSA-N 447.776 5.153 30 10 IKEE CN(c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2365069352 ZKYODDKGEPBTST-QKCRJPCFSA-N 448.416 5.546 30 10 IKEE Cc1cc(CSCc2cccc(Br)c2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369736550 ASODZHYIALCZTR-UHFFFAOYSA-N 433.220 5.490 30 10 IKEE CCOc1cccc(/C=C2\Oc3cc(OC)ccc3C2=O)c1OC(=O)c1ccc(C)cc1 8823749 JJHHKZWNSPNIHX-UCQKPKSFSA-N 430.456 5.238 30 10 IKEE O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1cc(Cl)cc(Cl)c1O)c1c(O)n[nH]c1N2 18196355 SBOCGPAZOOCTHW-VXJOIVPMSA-N 448.331 5.147 30 10 IKEE Cc1cc(Br)c(O)c(/C=N/c2ccc(O)c(-c3nc4ccc(C)cc4[nH]3)c2)c1 20075302 LJJLYLODFNKTNE-BHGWPJFGSA-N 436.309 5.771 30 10 IKEE CC(C)Oc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(O)c2)cc1 21249270 UFMKBAKFKLXUTR-PIIWDFAUSA-N 440.543 6.159 30 10 IKEE COc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(C(C)C)cc1 21252240 AAHZSZKCYHXWCV-ONOMSOESSA-N 438.571 6.798 30 10 IKEE CCOc1ccc([C@H]2C3=C(C[C@@H](c4ccc(OC)cc4)CC3=O)Nc3onc(C)c32)cc1 21660455 IZMNHMUWDJVXOA-HOYKHHGWSA-N 430.504 5.349 30 10 IKEE C=CCn1c(COc2ccc(CCC)cc2)nnc1SCC(=O)Nc1ccc(C)cc1 40978139 QGVBWDQALDRXKK-UHFFFAOYSA-N 436.581 5.035 30 10 IKEE C[C@@H](c1ccccc1)N1COc2ccc3c(c2C1)O/C(=C\c1ccc(N(C)C)cc1)C3=O 41663077 FOUIHKUSQVZHPZ-AOBKZXEFSA-N 426.516 5.282 30 10 IKEE Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)S2)c(C)c1 83309066 GJQAKTFKLDGHOQ-JAIQZWGSSA-N 443.355 6.762 30 10 IKEE Cc1nc2scc(-c3ccc(Br)cc3)c2c(=O)n1Cc1cccc(C#N)c1 96522831 TULGVORWQGKRGJ-UHFFFAOYSA-N 436.334 5.116 30 10 IKEE CCCCCCCCCCn1c([C@H](C)c2ccc3cc(OC)ccc3c2)nc2ccccc21 101041813 MTJAMPNEMMQDMN-HSZRJFAPSA-N 442.647 8.491 30 10 IKEE FC(F)(F)c1cc(CNCc2nc3ccc(C(F)(F)F)cc3[nH]2)cc(C(F)(F)F)c1 102550208 PKEBCKTYZLDFJM-UHFFFAOYSA-N 441.297 5.909 30 10 IKEE C=CCn1c(C(=O)Nc2nc3c(s2)C[C@@H](C(C)(C)C)CC3)c(C)c2cc(C(C)C)ccc21 169874202 WVAYFMSDCZUBKA-IBGZPJMESA-N 449.664 7.119 30 10 IKEE CCCN1C(=S)N[C@H](c2ccc(OCc3ccccc3)c(Cl)c2)C2=C1CCCC2=O 169930158 DZNVOMBREBANJY-HSZRJFAPSA-N 440.996 5.567 30 10 IKEE CCN1C(=S)N[C@@H](c2c(OCc3ccc(F)cc3)ccc3ccccc23)C(C(C)=O)=C1C 169933400 IMEDXUHZVIKNBT-RUZDIDTESA-N 448.563 5.672 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1c1ccccc1C 169946324 SSTWQYFDZBFEAE-SANMLTNESA-N 449.506 5.940 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccccc2C)c1 170086222 BZSUQHGTZXOKGJ-XMMPIXPASA-N 439.467 5.533 30 10 IKEE CCOc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(CC)cc3)[C@@H]2c2ccco2)c1 170097739 GFYKZJNCBGDMPC-QHCPKHFHSA-N 431.488 5.019 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2C2CCCC2)c1 170121542 PDOWNNBJEOWWFK-DEOSSOPVSA-N 447.575 5.822 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2cccc(C)c2)cc1 170142080 QDGRJHCBTPVWDD-AREMUKBSSA-N 433.507 6.240 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 170142551 ILGJCPFFWORHSZ-AREMUKBSSA-N 444.490 5.803 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccccn2)c1 170170093 SFYXUJFMAZDDLF-XMMPIXPASA-N 442.515 5.269 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C(C)(C)C)ccc3C)[C@H]2c2ccncc2)c1 170200881 BIJXPOYWPVMTSW-XMMPIXPASA-N 440.543 5.779 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccccc1 170227427 JSYSCGWRKWOKPE-HSZRJFAPSA-N 425.440 5.224 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(F)cc1)c1ccc2ccccc2c1 170241784 NUZWDPYUBXOTGB-DEOSSOPVSA-N 438.458 5.152 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2c[nH]c3ccccc23)c(C)c1 170256310 NOHJZIOKHQQMLW-QHCPKHFHSA-N 430.504 5.006 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccco2)c1 170296002 UKMCAQMZMSELEV-QHCPKHFHSA-N 449.478 5.232 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccc(C)o2)cc1 170300812 CSVXIDUGIQDXJQ-RUZDIDTESA-N 437.495 6.087 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(C)o2)cc1C(C)C 170303792 DDPQPLDYKFJTHP-DEOSSOPVSA-N 445.515 5.811 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1sccc1C 170313641 UEJIQDUJXBICPH-FQEVSTJZSA-N 437.492 5.296 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1ccccc1O 170314606 VSRLCMKMWOYIOJ-GOSISDBHSA-N 425.893 5.198 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1cccc2ccccc12)c1ccco1 170420844 WYYMBDSKBFILNH-HSZRJFAPSA-N 427.431 5.350 30 10 IKEE Cc1cccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(C(=O)OC(C)C)cc2)c1 170460003 WMGVALHDVGVRFC-QHCPKHFHSA-N 435.520 5.075 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 170467382 XXZNSCQZNNHOMY-RUZDIDTESA-N 447.619 6.797 30 10 IKEE O=C(CSc1nc2ccc(N=Cc3ccccc3O)cc2s1)Nc1ccccc1F 252626557 RBDMPKMBAGHIQX-UHFFFAOYSA-N 437.521 5.622 30 10 IKEE COc1ccc(-c2csc(N(N=Cc3ccc4c(c3)OCO4)c3ccccc3)n2)cc1 254287045 GHFCEEZOKDZOCK-UHFFFAOYSA-N 429.501 5.720 30 10 IKEE CCN(Cc1ccccc1)c1ccc(C=Nc2ccccc2-c2n[nH]c(=S)nc2O)cc1 254716886 WEHQYXPMSORSQL-UHFFFAOYSA-N 441.560 5.684 30 10 IKEE CCc1c(C)c(C#N)c2nc3ccccc3n2c1NN=Cc1cc2cccc(C)c2nc1O 263626879 AGCQTMJQYRCWGT-UHFFFAOYSA-N 434.503 5.238 30 10 IKEE CCC(=NNS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C)c1ccc(Br)s1 263631798 WDYCRLQOBALNSB-UHFFFAOYSA-N 443.432 5.145 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(C)c(Br)c1)NCCC 407923522 DUYMQQNBHOYYGP-WOJBJXKFSA-N 439.438 5.528 30 10 IKEE CCOc1ccc([C@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1OC 526491231 MXAIVHGYJQAPNS-VWLOTQADSA-N 440.499 5.331 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccncc2)c1 526604953 MSZYTTMCWHHHEF-DEOSSOPVSA-N 425.488 5.189 30 10 IKEE CN(C)c1ccc([C@H]2C(c3cccc4ccccc34)=C(O)C(=O)N2c2ccccc2C#N)cc1 526609131 AFQGCJXMDXCLBT-MHZLTWQESA-N 445.522 5.835 30 10 IKEE CCCCCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccc(F)cc2)cc1 526803368 WTIMKIRYTJXPNR-XYGWBWBKSA-N 426.561 5.723 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1/N=C\c1c(C)n(CC)c2ccccc12 526803850 RNMMAXHSUXRQOZ-YUMHPJSZSA-N 449.599 6.217 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1cc(OC)ccc1OC 526817234 XYSARQKHOFFZTP-QRVIBDJDSA-N 430.961 5.076 30 10 IKEE COc1ccc(/C=N\n2c(C)nnc2SCc2cc(C)ccc2C)cc1Br 526818373 GMANSVMOTAATTL-JJFYIABZSA-N 445.386 5.149 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccc(OC(C)C)cc1 526821410 RGWYJBZARKTOCM-PKAZHMFMSA-N 444.604 6.346 30 10 IKEE O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCC[C@@H](c2ccc(F)cc2)C1 585253664 VODWYGAIXFCAPU-CQSZACIVSA-N 433.367 6.273 30 10 IKEE C[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 698829278 QEKDAYVOIAHRJT-HJPURHCSSA-N 433.524 5.249 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@](C)(C#N)c1ccc(Br)cc1F 698858750 GEOYQGDUDLGJEA-IBGZPJMESA-N 439.350 5.826 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H]3C[C@@H](CN3Cc3ccccc3)C2)cc1 716621667 RZMJKFYVDJWXRI-SHQBLQIYSA-N 431.580 5.683 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 724029069 PDFUZEWBXRNGGT-GAJHUEQPSA-N 449.979 5.811 30 10 IKEE CN1/C(=C/C=C\C2=C/C(=C3/C=CC=[S+]3)OC(c3cccs3)=C2)C(C)(C)c2ccccc21 1082888900 OVTGZSPRDQIFGN-MHMLDFSDSA-N 442.629 6.580 30 10 IKEE Cc1cccc(N=C2S/C(=C\c3cccc(OCc4ccc(Cl)cc4)c3)C(=O)N2C)n1 1772732176 VCXOGRNIRRKJOE-PAMLCIOASA-N 449.963 5.856 30 10 IKEE Cc1ccc(COc2ccc(/C=C3/SC(=Nc4ccncc4Cl)N(C)C3=O)cc2)cc1 1772732847 HENBIWFVXFRINQ-VXWJBAAHSA-N 449.963 5.856 30 10 IKEE Cc1c(C(=O)Oc2ccc3ccccc3c2)oc2c1C(=NNc1ccc(F)cc1)CCC2 1772749801 SAFSZZYAKVSBGB-UHFFFAOYSA-N 428.463 6.252 30 10 IKEE Cc1cc(C)c(NC(=O)Oc2ccc(CNC(=O)c3cccc(C#N)c3)cc2)c(Cl)c1 1858913257 YUGZYPPPIHHCHD-UHFFFAOYSA-N 433.895 5.369 30 10 IKEE C=CCN(CC=C)C(=O)Oc1cccc2c(NC(=O)c3cc(OC)cc(OC)c3)cccc12 1858947090 GPJDYLDPCSTJER-UHFFFAOYSA-N 446.503 5.282 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](C)NC(=O)c1c(Cl)ccc(Cl)c1OC 1861141918 QMKAAKIKTMSCAM-OAHLLOKOSA-N 431.404 5.377 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862412668 KKYGTYDGCLHGLA-JOCHJYFZSA-N 437.417 5.191 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCCC2)ccc1O 1862494629 DCRAZEWAFYLYDN-XMMPIXPASA-N 449.547 5.319 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1c(F)cccc1Cl 1862531328 LLAMRUJVSLPMNM-JOCHJYFZSA-N 443.946 6.200 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 1862531579 QPMNHTKRTZCPQR-XMMPIXPASA-N 448.607 5.077 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2ccc(C(C)C)cc2)cc1 1862534477 RWVUNJKBGSXVHX-DEOSSOPVSA-N 435.564 5.113 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccccc1Cl 1862546229 TXBWGCYQICZKBT-QHCPKHFHSA-N 437.967 5.843 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(O)cc1 1862613931 SXGSFEVTVJHZBI-UWSIMGETSA-N 447.575 5.847 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(C(C)C)cc1 1862617630 YHIZDKNLDJQJFO-UUOWRZLLSA-N 433.592 6.484 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(Cl)cc1Cl 1862658164 NFBIIHLIXTWXIX-NRFANRHFSA-N 440.326 6.135 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2F)cc1 1862663528 UBOIHHLQAWMWHM-HSZRJFAPSA-N 430.479 5.123 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862669420 VVWNXQCPYSQETG-FQEVSTJZSA-N 431.454 5.817 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862679266 BGNDVVGTMLIAPD-IBGZPJMESA-N 436.310 5.757 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(OCCCC)cc2)=C(c2cccc3ccccc23)C1=O 1863228334 RZAHOTPRCMAVCU-UHFFFAOYSA-N 426.516 5.397 30 10 IKEE CCCCCCCCNC1=C(c2ccc(F)cc2)C(=O)N(CCCOCCCC)C1=O 1863507119 BGJOZVCMDONQQW-UHFFFAOYSA-N 432.580 5.063 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1nc2c(s1)CN(C)CC2 1866032241 HNQXYAQQYZDIFH-UHFFFAOYSA-N 435.722 7.331 30 10 IKEE CCCC[C@H](NC(=O)C[C@@H](c1ccc(Cl)cc1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866764637 WFWUMSWXLKNZSV-PKTZIBPZSA-N 439.987 5.655 30 10 IKEE CCCCCCCOc1cn(CCCCCO)c(CN(CCCC)CCCC)cc1=O 1870411873 OZZKHFARRXHFAR-UHFFFAOYSA-N 436.681 5.762 30 10 IKEE CCCCCCCCCCn1cc(OCCOC(C)C)c(=O)cc1CN1CCC(C)CC1 1870548597 KNBSIWDNNBBZTL-UHFFFAOYSA-N 448.692 6.025 30 10 IKEE CCCCCCCCCCn1cc(OCCCC)c(=O)cc1CN1C[C@@H](C)O[C@H](C)C1 1870663913 STZCXTFGXBCEFH-DHIUTWEWSA-N 434.665 5.777 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)C(Cl)(Cl)Cl)cc(C)c3C2=O)cc1 1871365676 DDLJQBBBGUSQQG-SXGWCWSVSA-N 425.695 5.449 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OC(=O)CCCOc4ccccc4C)cc(C)c3C2=O)c1 1871371028 HFHBWAQXAMBRPT-XYGWBWBKSA-N 442.511 5.993 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OC(=O)c4ccc(C(F)(F)F)cc4)cc(C)c3C2=O)c1 1871376080 RWYXRMWKTWNWCZ-MTJSOVHGSA-N 438.401 6.158 30 10 IKEE Cn1cc(/C=C2\Oc3cc(OCCCCOc4ccccc4)ccc3C2=O)c2ccccc21 1871403645 RHOGCBHSVBQQQF-PKAZHMFMSA-N 439.511 6.033 30 10 IKEE CC(C)OC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)o1 1871439353 UUAQMFKCVCQSFZ-JJFYIABZSA-N 438.863 5.693 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1C 1871458580 CXJAPKHFUHHJFP-WGARJPEWSA-N 441.527 6.061 30 10 IKEE CCN(CC)C(=O)COc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 1871460874 JBRCFSSPTHUIIG-XYGWBWBKSA-N 427.500 5.217 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(C(C)C)cc2)[nH]c(N(CC)CC)n1 1871506494 BUSQKQAYXPZHMO-UHFFFAOYSA-N 440.680 6.559 30 10 IKEE C=CCN([C@@H](CCC)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1ccc(F)cc1 1872219667 ORYOSBLRQYCQDK-QFIPXVFZSA-N 446.588 5.107 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NS(=O)(=O)c1ccc(C)c(C)c1)[C@H](C)CC 1872612379 CJXMYOAEDIJWMB-AUSIDOKSSA-N 438.678 5.253 30 10 IKEE COc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1 1872777655 SGPQZODTDSMVBB-IBGZPJMESA-N 431.517 5.335 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)/C=C/c2ccccc2Cl)n1 1872785430 MVHFZMUSSSJQAQ-XETPZZHUSA-N 434.992 6.959 30 10 IKEE COc1ccc(CNC(=O)c2cccc(CSc3nc(C)c(C)c(C)c3C#N)c2)cc1 1872893014 CGGUPXNSGGDKQH-UHFFFAOYSA-N 431.561 5.109 30 10 IKEE CCCCCCCCNC1=C(c2c(Cl)cccc2Cl)C(=O)N([C@@H](C)CC)C1=O 1873095578 GPUSKUUTCMYRBL-HNNXBMFYSA-N 425.400 5.822 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccccc2OC)=C(c2ccccc2C)C1=O 1873302746 FYHWXXMPQITZJY-UHFFFAOYSA-N 448.607 6.336 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(OCC(C)C)c2)=C(c2ccccc2)C1=O 1873413753 NEFIKZXIIVRSCE-UHFFFAOYSA-N 448.607 6.274 30 10 IKEE COc1ccc(N/N=C/c2ccc(OC)c(OCc3ccc(Cl)cc3Cl)c2)cc1 1873497569 WXRVEXWKEJITQP-DHRITJCHSA-N 431.319 6.036 30 10 IKEE C=CCn1c(C(=O)Nc2cc(C)cc(C)c2)cc2c(NCc3ccccc3Cl)ncnc21 1873605765 RALISWHHIKCGBB-UHFFFAOYSA-N 445.954 5.752 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1cccc(C)c1 1874203922 CSLRMGYMNCQMCV-FSJBWODESA-N 433.364 5.633 30 10 IKEE CCCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1cccc(OC)c1O 1874234180 WAVPVZCDZVAXBT-YZSQISJMSA-N 446.576 5.315 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CCCOc2ccccc2C)nnc1SCC 1874248276 HNLMCBWHLXICQA-XIEYBQDHSA-N 436.581 5.157 30 10 IKEE CCCCC1CCC(c2nnc(SCCO)n2/N=C/c2cccc(OCC)c2)CC1 1874287124 ORXYGVFAYZQRJW-JJIBRWJFSA-N 430.618 5.107 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(COc2c(C)cccc2C)nnc1SC 1874298803 STGXSZANRGWKPF-AFUMVMLFSA-N 432.549 5.240 30 10 IKEE C=CCSc1nnc(COCc2ccccc2)n1/N=C/c1c(Cl)cccc1Cl 1874354904 HKLJSBWDSBVTIF-FSJBWODESA-N 433.364 5.462 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccccn1 1874363351 ABQUNLXSUKFYFI-JVWAILMASA-N 447.995 5.595 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cc(C)ccc3C)n2/N=C/c2cccc(C)c2)cc1 1874389307 MPAJWZNANUNDRJ-OGLMXYFKSA-N 440.616 6.277 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2ccc(N(C)C)cc2)cc1 1874415194 DFWZGTDJANZNAU-OVVQPSECSA-N 441.604 5.418 30 10 IKEE C(=N/n1c(Cc2ccccc2)nnc1SCc1cccc2ccccc12)\c1ccncc1 1874418642 AGXAYBCYOOJITR-MTDXEUNCSA-N 435.556 5.592 30 10 IKEE Clc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2ccco2)c(Cl)c1 1874419452 OBSFBNKZJKORKA-ZMOGYAJESA-N 443.359 5.943 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2ccc(F)cc2)cc1 1874421567 RXKROVDQNJSPHP-WSDLNYQXSA-N 439.497 5.228 30 10 IKEE CC(C)(C)Cc1nnc(SCCc2ccccc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874439586 JCEIOSVRUWPPAY-JVWAILMASA-N 446.542 6.103 30 10 IKEE COc1cccc(/C=N/n2c(SCc3cccc(C)c3)nnc2C2CCCC2)c1OC 1874454291 JLFAZGZTMCVNMO-MFKUBSTISA-N 436.581 5.436 30 10 IKEE CCCSc1nnc(CCOC)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874473676 QSUGQXSUCPUIFK-BUVRLJJBSA-N 444.988 5.084 30 10 IKEE Fc1ccccc1CSc1nnc(C2CCC2)n1/N=C/c1cccc(Br)c1 1874496077 ULZJWJUHWCNCSR-FSJBWODESA-N 445.361 5.622 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCc3ccccc3F)nnc2C2CCC2)cc1 1874496109 VVYAHNCXUOXANV-WGOQTCKBSA-N 438.572 6.038 30 10 IKEE CCCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1/N=C/c1ccc(Cl)cc1 1874504993 LRBDSGFIYQUXPC-ZMOGYAJESA-N 441.988 5.114 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc3ccccc3c2)c1OCc1cccc2ccccc12 1874571188 ACQRCXRLLOOVBN-VHEBQXMUSA-N 444.530 7.477 30 10 IKEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1ccccc1Cl)Nc1ccc(F)cc1 1874574728 BVAXHHLZFLBODD-VZUCSPMQSA-N 444.289 6.046 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C/C(=O)c2cccc(Cl)c2)c1 1874577286 GPDVRAJGGSOJFC-CSKARUKUSA-N 440.326 6.215 30 10 IKEE COc1cccc(/C=C/C(=O)c2cccc(Cl)c2)c1OCC(=O)NC1CCCCC1 1874577474 PADXRBXCHYIHCQ-BUHFOSPRSA-N 427.928 5.072 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(Cl)ccc1OCC(=O)Nc1ccccc1C 1874580994 QSLJVQRJNNYYCO-PKNBQFBNSA-N 449.934 5.879 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCc3cccc(C)c3)ccc3ccccc23)cc1F 1874582603 WNPUMBVQIONNPX-OUKQBFOZSA-N 426.487 6.771 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCc3c(Cl)cccc3Cl)c2)cc1OC 1874593968 KTHJNMCNUKHABK-PKNBQFBNSA-N 443.326 6.486 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2Cl)cc1 1874613379 QZKOYWLCGKAJRI-UUILKARUSA-N 440.326 6.215 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(OCC)cc2)cc1OC 1874615221 MTMMRGRVFRVFSO-RIYZIHGNSA-N 439.552 5.017 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 1874634880 YMQZYYZLRKYQEW-JLHYYAGUSA-N 435.907 5.571 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)cc([N+](=O)[O-])c1OC 1874637017 DOCASGXIYQVYGY-AATRIKPKSA-N 426.252 5.214 30 10 IKEE C=CCN(CC=C)CCC(=O)c1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)cc1 1874751948 GNXBVWJABLFTHU-UHFFFAOYSA-N 440.543 5.978 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)cc2)cc1 1875097099 VOFOMFKGXMUYGM-CPNJWEJPSA-N 438.567 6.562 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3cccc(Cl)c3)cc2Cl)cc1C 1875121349 LLOVKRBXXFVKHL-CSKARUKUSA-N 439.338 6.654 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC)c(Cl)c2)cc1OCCC 1875123898 JGELMTSGWKHQRV-JXMROGBWSA-N 430.928 6.129 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2Cl)cc1 1875127964 HKYZYZCKMSHRLT-FOWTUZBSSA-N 448.946 6.563 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1ccc([N+](=O)[O-])cc1 1875133410 SZITZPAZRVPXPJ-AWNIVKPZSA-N 447.443 5.036 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)CC(C)(C)C 1875135047 XEGXGZHYZUFPDP-PKNBQFBNSA-N 428.956 6.593 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1[N+](=O)[O-] 1875139736 XULDMXKHTZKMKE-ZRDIBKRKSA-N 445.471 5.264 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2cccs2)c(Cl)c1 1875181225 VFXXGGWGVPPASL-FNORWQNLSA-N 447.339 6.487 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)[C@@H]1CCCO1 1875190061 BHPGXHMYUVTZKZ-MRSBXDGLSA-N 435.303 5.373 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2cccs2)c(Cl)c1 1875193136 UKWYOBZUPHKYTJ-QPJJXVBHSA-N 433.312 6.179 30 10 IKEE O=C(Nc1cc(Br)cc(C(F)(F)F)c1)Nc1ccc(F)c(C(F)(F)F)c1 1890085099 RRMKGXBHZVDHNO-UHFFFAOYSA-N 445.132 6.270 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](O)c1ccc(Cl)cc1Br 1922067736 DJPFUBNHVCPWRQ-LEWJYISDSA-N 438.793 5.277 30 10 IKEE CCCCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](F)C(=O)O 1927456432 VJNSQFAIIRSPPI-PKTZIBPZSA-N 427.516 5.677 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 1949350453 IPKIRGHDMWKEOI-PKTZIBPZSA-N 430.633 5.553 30 10 IKEE C=CCC[C@@H](C)[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NC 1996481743 PNXJIYXUBIQCBU-FYYLOGMGSA-N 429.649 5.126 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H]1CCC[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C 2005267135 IGDLHWRRFXQWCG-YCAMKHIRSA-N 428.617 5.163 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@]1(C)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2022145008 OSUZEKYBQBJZLP-GJZUVCINSA-N 430.633 5.553 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H]1C[C@H](C(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2038747252 UXFBYLGFIWAOBV-SGNDLWITSA-N 444.660 5.657 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 2040976104 CSWQZNPQCRJTGB-XMZFGDCGSA-N 441.572 5.276 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 2041559908 NICBVTRQZLLNKQ-XDHUDOTRSA-N 447.551 5.497 30 10 IKEE C#CC[C@H](C)C[C@@H](N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2076074055 SJBPZYRYYRFTNC-MCPPRULHSA-N 429.560 5.255 30 10 IKEE COc1ccc([C@H](n2nc(C(F)(F)F)c(C=NO)c2Br)C(C)(C)C)cc1 2079893967 VXYSFNRRGCFVRX-AWEZNQCLSA-N 434.256 5.117 30 10 IKEE CCOc1ccc([C@H](C(C)C)n2nc(C3CCC3)c(C#N)c2I)cc1 2080101357 FDHOPUBTUOGQSH-IBGZPJMESA-N 449.336 5.271 30 10 IKEE Fc1cccc(C(F)(F)F)c1-c1c(C2CCCC2)nn(C(F)(F)F)c1Br 2080760596 RQJZRBCBUOJXMQ-UHFFFAOYSA-N 445.176 6.604 30 10 IKEE CCOc1ccc(C(F)(F)F)cc1-c1cc(Cl)n2nc(C3CCCC3)c(C#N)c2n1 2081189878 WVISATQEICFGOQ-UHFFFAOYSA-N 434.849 5.996 30 10 IKEE Cc1sc(C)c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)c1Br 2092951951 CPBCBHVOMMWFCL-OAHLLOKOSA-N 439.350 6.273 30 10 IKEE N#Cc1cc(F)c(N[C@H]2CCN(Cc3ccccc3)CC23CCC3)cc1Br 2154920060 GUCIJDSIZRVHPR-NRFANRHFSA-N 428.349 5.317 30 10 IKEE CC(C)(C)OC(=O)NCC(C)(C)C1CCN(c2ccc(C#N)cc2Br)CC1 2174808079 JYQCELCBLUMKCN-UHFFFAOYSA-N 436.394 5.088 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)cc(F)cc1Br 2233953736 CXGVIXAETULRLN-FUHWJXTLSA-N 447.364 5.628 30 10 IKEE CN[C@@H](C#Cc1ccccc1Br)CC1(NC(=O)OC(C)(C)C)CCCCC1 2235721454 DKRCUCWNYWOJPN-SFHVURJKSA-N 435.406 5.006 30 10 IKEE CCCCCCCC[C@](C)(CO)N(C(=O)OCc1ccccc1)c1cccc(Cl)c1 2240560410 GMOZKFXCZRAJHB-RUZDIDTESA-N 432.004 6.985 30 10 IKEE C=C(COCc1ccccc1)[C@]1(OCC(=O)O)CCC(F)(F)C[C@H]1OCc1ccccc1 2261827834 IOEITIAYNURQJZ-RCZVLFRGSA-N 446.490 5.004 30 10 IKEE C=C(CC)C[C@@H](OCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2275420675 XANNEKHACOEKOB-AREMUKBSSA-N 446.543 6.343 30 10 IKEE CC(C)[C@H](CCNC(=O)OC(C)(C)C)CC[C@H](O)C#Cc1ccc(Br)cc1 2296277960 YSCOMSDNEFOQCD-AZUAARDMSA-N 438.406 5.129 30 10 IKEE CN[C@H](C#Cc1cccc(Br)c1)c1cc(F)cc(NC(=O)OC(C)(C)C)c1 2296281042 HABJZUKZVXYXNU-LJQANCHMSA-N 433.321 5.247 30 10 IKEE O=C1C(=CNc2ccc(F)c(Cl)c2)S(=O)(=O)N(Cc2ccccc2)c2ccsc21 2297378307 WCESJOOQGMNZBA-UHFFFAOYSA-N 448.928 5.027 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@@]1(C#N)C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 2310844218 LIQWKUZBJXOPJM-RZOLNQLPSA-N 436.527 5.845 30 10 IKEE N#CC1(c2ccc(NC(=O)C=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)CCCC1 2313961733 YBXPMXLYNWXXBE-UHFFFAOYSA-N 427.460 5.842 30 10 IKEE C#CCOC(=O)C=Cc1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 2314014240 LTCPSQDGJVKWNW-UHFFFAOYSA-N 425.695 5.424 30 10 IKEE Cc1cc(C)cc(CSc2nnc(CCc3ccccc3)n2N=Cc2cccc(O)c2)c1 2318574606 OHIGOKLKVMGTTF-UHFFFAOYSA-N 442.588 5.560 30 10 IKEE COc1cc(C=Nn2c(SCc3cc(C)ccc3C)nnc2C2CC2)cc(Cl)c1O 2320856164 HSCFRSMTQQKAQO-UHFFFAOYSA-N 442.972 5.314 30 10 IKEE CCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1N=Cc1ccc(C(C)(C)C)cc1 2320970967 JSJRQVWYAVBEOT-UHFFFAOYSA-N 435.597 5.059 30 10 IKEE COc1ccc(CCN2COc3cc(C)c4c(c3C2)OC(=Cc2ccc(F)cc2)C4=O)cc1 2321937448 FLPNUJFMQNCQNL-UHFFFAOYSA-N 445.490 5.154 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc3c2CN(Cc2ccc(F)cc2)CO3)C1=O 2322052004 CPNVENMMGKVNLP-UHFFFAOYSA-N 431.463 5.193 30 10 IKEE CC[C@@H](C)N1COc2cc(C)c3c(c2C1)OC(=Cc1ccccc1Br)C3=O 2322092040 DGFQPVBJJFGPNO-CQSZACIVSA-N 428.326 5.324 30 10 IKEE CCc1ccc(C=C2Oc3c(cc4c(c3C)OCN(CCC3=CCCCC3)C4)C2=O)cc1 2322377401 BVKISFSMRCIVIN-UHFFFAOYSA-N 429.560 6.216 30 10 IKEE Cc1ccccc1NC(=O)COc1ccccc1C=CC(=O)c1c(C)c(C)cc(C)c1C 2322836640 CHHICHQCNHDUEJ-UHFFFAOYSA-N 427.544 6.142 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OC(=O)C=Cc3ccc(F)cc3)ccc2C1=O 2323040401 FGNRRYZBHGPHAN-UHFFFAOYSA-N 430.431 5.459 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc(C)c3C2=O)c1 2323232123 FPUCTJBMZIQUTB-UHFFFAOYSA-N 449.846 5.700 30 10 IKEE CC(C)(C)c1ccc(C=CC(=O)Nc2c(C#N)nnn2-c2cccc(C(F)(F)F)c2)cc1 2323232245 UEPGJWPSHUSBMH-UHFFFAOYSA-N 439.441 5.107 30 10 IKEE CCCCCCCCCOc1ccc(C=NNc2nc(O)cc(C(C)C)n2)cc1OCC 2323248468 UJNZXDZNSOYLHC-UHFFFAOYSA-N 442.604 6.280 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OC(=O)c3cccc([N+](=O)[O-])c3C)c2C)C1=O 2323270579 WXNQNOGXPXGCJR-UHFFFAOYSA-N 429.428 5.355 30 10 IKEE Cc1c(OC(=O)CC2CCCCC2)ccc2c1OC(=Cc1c(Cl)cccc1Cl)C2=O 2323485984 QHDXNSHDFZQGML-UHFFFAOYSA-N 445.342 6.794 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(C=CC(=O)c3cccc(OC)c3)cc2OC)cc1 2323511060 MZBDRXHKSXKFHW-UHFFFAOYSA-N 445.515 5.180 30 10 IKEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccccc3Cl)cc2Cl)o1 2323603313 NDLDWKSNCVLWQJ-UHFFFAOYSA-N 431.271 5.848 30 10 IKEE COC(=O)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2sccc2C)C3=O)cc1 2323603794 KLVXRAHXJPMSKU-UHFFFAOYSA-N 446.480 5.078 30 10 IKEE COc1c(Br)cc(C=CC(=O)c2ccc(Cl)cc2)cc1Br 2323789896 FZLXZWGFMBMCQN-UHFFFAOYSA-N 430.523 5.770 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OCc1ccc(Cl)cc1 2323865976 AXNJTFPWIMIRJF-UHFFFAOYSA-N 446.974 7.169 30 10 IKEE C[C@@H]1CCCCN1Cc1c(O)ccc2c1OC(=Cc1ccc(Br)cc1)C2=O 2324010285 WBXDRQYXZRHTOS-CQSZACIVSA-N 428.326 5.145 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OCC(=O)Nc1cccc(C)c1 2324010366 PRFNITXJCYXRMX-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccc(F)cc4)c3C)C2=O)cc1 2324319166 KLUXRYSWBBWQNU-KRWDZBQOSA-N 431.463 5.465 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OCC(=O)NC1CCCCC1 2324455450 UNDFJYIALZUBGM-UHFFFAOYSA-N 435.564 5.426 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCCOc4cccc(C)c4)c3C)C2=O)c(OC)c1 2324523089 WMOMZNXAIVHQIY-UHFFFAOYSA-N 446.499 5.395 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)c(C)c1 2324545508 TYAMEFSKAZBMLR-UHFFFAOYSA-N 427.544 6.142 30 10 IKEE Cc1cccc(C(C)C)c1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccccc1)C2=O 2324990061 FADZPRPZAFHMJW-UHFFFAOYSA-N 441.527 6.061 30 10 IKEE CCOc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccc(C)cc2)cc1 2325470998 KPFBZSYCOBUPEH-UHFFFAOYSA-N 442.588 5.751 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2cccc(C=CC(=O)c3ccc(-c4ccccc4)cc3)c2)c1 2325669486 DKCJRPXCLFFWQI-UHFFFAOYSA-N 432.519 7.086 30 10 IKEE CCCC(=O)Oc1cc(C=CC(=O)c2ccc(CC)cc2)c(Br)cc1OC 2325705365 VLBIBSOOWOFLMY-UHFFFAOYSA-N 431.326 5.622 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1OC(=O)CCc1ccccc1C 2325725328 JWMSGIDEKYCZJA-UHFFFAOYSA-N 436.454 5.716 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccccc2[N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 2325737475 GGHVALDKQCXBKX-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccccc3Cl)c2)cc1 2325746331 YXLDIFQONYNIBA-UHFFFAOYSA-N 432.947 6.682 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccc(OCC)c([N+](=O)[O-])c1 2326303341 KIKVLZFJDJWDHF-UHFFFAOYSA-N 439.541 5.020 30 10 IKEE CCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1cccc(C(F)(F)F)c1 2326323838 MUMFJVOTWZMKIX-UHFFFAOYSA-N 446.542 6.331 30 10 IKEE OCCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccc(Cl)cc1 2326936766 SQYAPWGTWSCVIY-UHFFFAOYSA-N 445.032 5.047 30 10 IKEE C=CCSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1ccc(OCC)cc1 2327383416 CIOOCDFFBGJZTN-UHFFFAOYSA-N 436.581 5.369 30 10 IKEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccccc1OCCC 2328074873 VOMMQIGKLRGTSL-UHFFFAOYSA-N 441.000 5.666 30 10 IKEE CCCCC1CCC(c2nnc(SCC)n2N=Cc2ccc(Cl)cc2Cl)CC1 2328150944 HMHJWMHPSMSDHV-UHFFFAOYSA-N 439.456 7.043 30 10 IKEE C=CCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccccc1OCCC 2329114563 KHHBMIAHLDGQJT-UHFFFAOYSA-N 426.973 5.471 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2cccc([N+](=O)[O-])c2)cc1 2329990218 NZISLDYOODCXNT-UHFFFAOYSA-N 443.532 5.260 30 10 IKEE Cc1ccc(CSc2nnc([C@@H](C)c3ccccc3)n2N=Cc2cccc(F)c2)cc1 2330050173 JXHIWNXQBDWOAO-IBGZPJMESA-N 430.552 6.052 30 10 IKEE CN(C)c1ccc(C=Nn2c(SCCc3ccccc3)nnc2-c2cccs2)cc1 2330587847 WQULJAPTQUOCLQ-UHFFFAOYSA-N 433.606 5.290 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC(=O)CCC 2330611223 HZWXUYQGQBHDHI-UHFFFAOYSA-N 440.539 6.692 30 10 IKEE Cc1ccc(CSc2nnc([C@H]3CCCO3)n2N=Cc2ccc(Cl)cc2Cl)cc1 2330888765 WABOWNZMWBTNJN-LJQANCHMSA-N 447.391 5.919 30 10 IKEE CN(C)c1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CCCC2)cc1 2331086561 LRDFEVNBYAPZPF-UHFFFAOYSA-N 440.016 5.830 30 10 IKEE CCOc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2)cc1OC 2331163100 VRLVBUJBCZJPGA-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)c3sccc3C)c(Cl)c2)c1 2331385916 SXUXDEBZWLKIFV-UHFFFAOYSA-N 442.920 5.842 30 10 IKEE Cc1ccc(CSc2nnc(CC(C)C)n2N=Cc2ccc(C(F)(F)F)cc2)cc1 2331421461 RXKSLISUPVMDBR-UHFFFAOYSA-N 432.515 5.978 30 10 IKEE Cc1cncc(C(=O)Oc2ccc(C=CC(=O)c3cccc4ccccc34)cc2Cl)c1 2331472899 FETDOIZVGLYFLP-UHFFFAOYSA-N 427.887 6.312 30 10 IKEE CC(C)Cc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccccc1[N+](=O)[O-] 2331474540 QHPKBUBKUWUGFD-UHFFFAOYSA-N 447.923 5.352 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc3ccccc23)cc(OC)c1OC(=O)CC(C)(C)C 2331485175 YGGQKDAGVIQLNG-UHFFFAOYSA-N 442.555 6.815 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3ccco3)c(OC)c2)c(C)c1C 2331612567 QIGRTPSRBFIRKK-UHFFFAOYSA-N 436.460 5.038 30 10 IKEE CCCSc1nnc(C(C)C)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2331705310 FZLVQKJSQJQKGA-UHFFFAOYSA-N 428.989 6.018 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)Cc1ccc(F)c(C)c1 2331715105 AGYBKBYURCMVKG-UHFFFAOYSA-N 432.491 5.804 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2ccncc2)c(Cl)c1 2331755419 VZOFAXSRYKFMGY-UHFFFAOYSA-N 442.298 5.821 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3Cl)cc2)cc1C 2331835357 UVCQIVCBLAINTH-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)cc(OC)c1OC(=O)C(F)(F)F 2331859854 WAJVTZRTQUKABM-UHFFFAOYSA-N 449.208 5.374 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2OC)ccc1OC(=O)Cc1cccs1 2331885017 AFOQDPGJBWMVQN-UHFFFAOYSA-N 442.920 5.463 30 10 IKEE C[C@H]1CCN(Cc2ccccc2)C[C@@H]1Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339590244 KIOJYSXRLYFELY-REWPJTCUSA-N 433.405 5.049 30 10 IKEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1)c1ccc(Cl)cc1 2377421797 GNFWHFNILAJVFA-UHFFFAOYSA-N 436.586 5.038 30 10 IKEE C=C(C)COc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc3c(c1)c1ccccc1n3CC)N2 13642943 DDLSFWQYCHTJTL-MFYCAMOKSA-N 434.583 7.596 30 10 IKEE C=CCn1c(CNc2ccc(C)cc2)nnc1SCc1ccc(Br)cc1 20291036 OCUMJYWLLXOYJZ-UHFFFAOYSA-N 429.387 5.439 30 10 IKEE COc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(C(C)(C)C)cc2)C3)cc1Cl 21218146 GHRDGMCHBSBIBH-PKOBYXMFSA-N 437.967 5.650 30 10 IKEE CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2C(F)(F)F)cc1 21258534 OCGNICZWCCUQJU-LPHOPBHVSA-N 441.493 6.007 30 10 IKEE C=C(Br)Cn1c([C@H]2CC(=O)N(c3cccc(Cl)c3)C2)nc2ccccc21 38586304 WIBDMCUVKQQTFK-AWEZNQCLSA-N 430.733 5.119 30 10 IKEE CCN(C(=O)c1oc2c(c1C)/C(=N/NC(=S)Nc1ccccc1)CCC2)c1ccccc1 40825317 RSJQEEVLJSSDIS-NHFJDJAPSA-N 446.576 5.282 30 10 IKEE CCn1cc(/C=C2\Oc3c(CN4CCCCCC4)c(O)cc(C)c3C2=O)c2ccccc21 41514348 KETBVSBVOHXERF-IWIPYMOSSA-N 430.548 5.667 30 10 IKEE Cc1ccc(/C(CSc2nc3ccccc3[nH]2)=N\Nc2cccc([N+](=O)[O-])c2)c(C)c1 59460567 LRJIYWZAXNHFOZ-QYQHSDTDSA-N 431.521 5.696 30 10 IKEE C=C(C)COc1ccc([C@@H]2Nc3ccccc3C(=O)N2CCc2ccccc2)cc1OC 66132561 ACAJRFWCOOKJOH-AREMUKBSSA-N 428.532 5.459 30 10 IKEE COc1ccccc1/C=C/C=C(\C(=O)c1ccc(OC(C)C)cc1)c1nc2ccccc2o1 97514688 CKAOPUXNKXQXMS-CRUQZMOXSA-N 439.511 6.603 30 10 IKEE CCCCCCCCCCOc1cccc(CNCc2cc(OC)c(OC)cc2Cl)c1 100153325 TXUNMEFOKYRKFV-UHFFFAOYSA-N 448.047 7.167 30 10 IKEE O=C1/C(=C\c2ccc(F)cc2)Oc2cc(OCc3c(F)c(F)c(F)c(F)c3F)ccc21 110527026 MMOFHRWSMPXJQA-FRKPEAEDSA-N 436.307 5.716 30 10 IKEE Cc1ccc(N/N=C/c2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1C 169876814 VNNGLZYRCKBVLH-NJZRLIGZSA-N 442.566 7.269 30 10 IKEE CCOc1ccccc1-c1nnc(S)n1/N=C\c1cc(Cl)c(OCC)c(Cl)c1 169912272 ULIJGFMYSOXJGU-JJFYIABZSA-N 437.352 5.220 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C)c(C)c2)cc1 169924223 OVAQCGLYFOJNBT-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 169926096 KFNFAOFLWJHQOD-QFIPXVFZSA-N 444.874 5.003 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2sccc2C)c1 170105045 XZMZKRQQBDKTFR-OAQYLSRUSA-N 433.529 5.465 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@@H]1c1cccc(OC)c1 170120925 MYYZHSLOYNSMRZ-NRFANRHFSA-N 443.927 5.126 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(N(CC)CC)cc1 170138750 JUFUSYOPKZFSDF-RUZDIDTESA-N 442.559 5.674 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@@H]1c1ccc(C(C)(C)C)cc1 170149919 OZGYATZAPIQNSO-QHCPKHFHSA-N 433.548 5.297 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC)c2)[C@@H]1c1ccc(OC(C)C)cc1 170151883 TYVAVJRRRXVQSG-QHCPKHFHSA-N 437.536 5.251 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccs2)c(C)c1 170160886 FPKZZPWAIDCOKB-WAIKUNEKSA-N 445.540 5.471 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccccn2)cc1 170170863 YDAIWEFXZSZWDA-VWLOTQADSA-N 438.527 5.306 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCC)cc1 170215639 SKUCDDMHJVRJDD-XMMPIXPASA-N 433.548 5.343 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@H]1c1cccc(OCC)c1 170218008 DVCLNCYUUNHFND-HSZRJFAPSA-N 437.536 5.206 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2)cc1C(C)C 170231395 BISJGIZEYJENKI-RUZDIDTESA-N 447.575 6.038 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1ccc2ccccc2c1 170235276 UCKXYUNXYITJJB-XMMPIXPASA-N 439.898 6.276 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2ccc(Cl)cc2)cc1C 170236508 GXVGXAYBGGNETG-NRFANRHFSA-N 427.928 5.426 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccc(F)cc1)c1cccc2ccccc12 170238257 GRSGCLKMCUADJN-DEOSSOPVSA-N 441.433 5.901 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc(O)c2)c1 170261757 WWRSBCTZYGFUQX-DEOSSOPVSA-N 449.547 5.338 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(C)o2)cc1 170305207 DWVCKLUOHCXQBS-HSZRJFAPSA-N 442.471 5.031 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2C2CCCC2)o1 170310993 OSCDEONLCIPMRA-HSZRJFAPSA-N 437.536 5.452 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2Cc2ccc(F)cc2)o1 170311133 IJSPTSWVRCEMEN-HSZRJFAPSA-N 449.478 5.293 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2)[C@H]1c1c(C)[nH]c2ccccc12 170311934 QJNQQRNXSUGQSK-HSZRJFAPSA-N 432.520 5.253 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(Cl)c1)c1ccco1 170368777 PCJQPPRZXBKPNZ-SFHVURJKSA-N 430.243 5.075 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2c[nH]c3ccccc23)cc1Cl 170384469 MKKKTQIOVPYOMN-QFIPXVFZSA-N 443.890 5.308 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1c1ccc(N2CCCC2)cc1 170396225 MEHULWWJGYQCCP-QHCPKHFHSA-N 444.556 5.440 30 10 IKEE COc1ccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1 170427574 WQHHDKPSBOUVSY-HXUWFJFHSA-N 433.426 5.229 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2nc3cc(F)c(F)cc3s2)c1 170461576 VIGMEUBAYZEXPQ-GOSISDBHSA-N 442.487 5.398 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 170471578 YPIKRXOOQCGYTE-QHCPKHFHSA-N 433.592 6.112 30 10 IKEE CC1=CC(=NN=C2N=C(O)[C@@H](CC(=O)Nc3cccc(Cl)c3C)S2)CC(C)(C)C1 252591349 BADZRKRDDRKKTO-QGZVFWFLSA-N 432.977 5.527 30 10 IKEE CCc1ccc(N=C2S/C(=C/c3ccc(O)cc3)C(=O)N2c2ccc(CC)cc2)cc1 252606331 GRDGUXROMHEQPC-DNKROPNVSA-N 428.557 6.326 30 10 IKEE O=C(O)COc1cccc(/C=C2\SC(=Nc3ccccc3)N(C3CCCCC3)C2=O)c1 252621052 MRYAVTGIDHXNGI-AQAUNXFGSA-N 436.533 5.087 30 10 IKEE CCCCOc1ccc(N=C2C(=O)N(CN3CCc4ccccc4C3)c3ccccc32)cc1 254296234 PZHSHECGOCXJSU-UHFFFAOYSA-N 439.559 5.349 30 10 IKEE CN(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2cccc(OCc3ccccc3)c2)cc1 254387595 WSUOWPUTAGHNMG-UHFFFAOYSA-N 429.549 5.135 30 10 IKEE Cc1cc(OCc2ccc(C=Nn3c(S)nnc3-c3cccs3)o2)cc(C)c1Cl 254519770 PECPKIQQTAFLBF-UHFFFAOYSA-N 444.969 5.620 30 10 IKEE CCn1c2ccccc2c2cc(C=Nn3cnc4scc(-c5ccccc5)c4c3=O)ccc21 263622060 KCQWEPRDMGDCRB-UHFFFAOYSA-N 448.551 6.135 30 10 IKEE CC1(C)OB(c2cc(COc3ccc(OCc4ccccc4)cc3)ccc2F)OC1(C)C 303247775 XTZCENZUDAMSMP-UHFFFAOYSA-N 434.316 5.283 30 10 IKEE CC1(C)OB(c2cccc(OCCSc3cc(Cl)ccc3Cl)c2)OC1(C)C 305170082 CLIZIMYTUKHQKW-UHFFFAOYSA-N 425.186 5.464 30 10 IKEE CCCn1ncc(Br)c1C(=O)/C=C\c1ccc(NC(=O)OC(C)(C)C)cc1 405936129 PQHSPYDTISGWAN-FLIBITNWSA-N 434.334 5.299 30 10 IKEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)c(Cl)c1F 407166068 AQMCLNQWUJTMKX-RHSMWYFYSA-N 447.776 5.199 30 10 IKEE CC(C)Oc1cccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2C#N)c1 526606268 CTKODEUSRVTXIJ-XMMPIXPASA-N 428.463 5.542 30 10 IKEE CCCCc1nnc(SCc2cccc(C(=O)OC)c2)n1/N=C\c1ccccc1Cl 526827136 PLXVRHDZLRYVGO-OYKKKHCWSA-N 442.972 5.235 30 10 IKEE N#Cc1cccc(CN(Cc2ccccc2F)S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 586135473 YUYFDIGJDNCRPI-UHFFFAOYSA-N 449.334 5.395 30 10 IKEE Cc1cc(C)c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)cc1C 698443409 JCNYVJAMWGMZBZ-HXUWFJFHSA-N 429.358 6.381 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@@H](C#N)c1ccc(Br)c(Cl)c1 698833697 UXRAZCMUFDASCN-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@@H](C#N)c1cc(Br)cs1 698960091 VIFKVNQVEWKWRM-AWEZNQCLSA-N 427.751 6.170 30 10 IKEE N#C[C@@H](C(=O)c1scc(Br)c1Br)c1ccc(F)cc1Cl 705468013 FLTBRQBOEJZZOM-MRVPVSSYSA-N 437.515 5.556 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C#N)(Cc1ccc(Br)cc1Cl)C2 712793767 BNIDWYOUSXCJBT-HOTGVXAUSA-N 439.781 5.717 30 10 IKEE C=CC[C@H](C)[C@H](NCCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 715785669 BTETVLJCYZJXAD-DBVUQKKJSA-N 439.438 5.465 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 724030899 FJBWGDJLSMBTKE-MHECFPHRSA-N 435.609 5.676 30 10 IKEE CC(=O)C(=NNc1cccc(Cl)c1C)Sc1nc2ccccc2n1-c1ccccc1 1084014594 CJPZOZLNEPKGCG-UHFFFAOYSA-N 434.952 6.094 30 10 IKEE CCCN1/C(=N/c2cccc(C(F)(F)F)c2)S[CH][C@H]1c1ccc(Br)cc1 1616119484 HDFCNCXVPRIMEC-BMCXAMSBSA-N 442.324 6.817 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=Nc1cccnc1Cl 1772735400 HCALKWMLEUWABF-SCORJZKRSA-N 444.343 6.272 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=Nc1nc(C)cs1 1772736094 RTLYKFVWLUVXDR-NFFGIOBBSA-N 440.506 5.244 30 10 IKEE C=C1CC[C@H](O)C/C1=C/[C@H](O)[C@]1(O)CCC[C@@]2(C)[C@H]([C@@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]21 1857787969 KXILCRGOVVVVRF-VUPHUKPSSA-N 430.673 5.807 30 10 IKEE Cc1nc(SCC(=O)Nc2ccccc2C#N)nc(O)c1-c1ccc(Cl)c(Cl)c1 1858517861 WEORSRRTBBIYBE-UHFFFAOYSA-N 445.331 5.067 30 10 IKEE CC(C)(C)c1csc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c1C#N 1860653069 TUPCBMDUFJSWTL-HNNXBMFYSA-N 429.973 5.062 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](NC(=O)CCCOc1ccc2ccccc2c1)c1ccccc1 1862223445 GRBTVHQAVOUZFY-HHHXNRCGSA-N 442.559 5.057 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2cccc(F)c2)cc1C 1862401537 DAGVTNXXDHWRLR-QHCPKHFHSA-N 449.453 5.060 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccccc1C 1862428975 CJWMUBJKVZQALK-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCc2ccccc2)cc1 1862474277 LYBWRUDBTJTOTB-SANMLTNESA-N 439.555 5.769 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2cccc(C)c2)cc1 1862475800 VDTGYUNFYHDGMG-DEOSSOPVSA-N 429.491 5.264 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccccc2Cl)cc1 1862476493 LOONZHUBJHSNHT-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc3cc[nH]c3c2)ccc1F 1862503935 ISHOTWPUQWDTBF-XMMPIXPASA-N 440.474 5.394 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cccc2ccccc12 1862548945 DGBUFHABADJHHZ-SANMLTNESA-N 439.555 5.953 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc([N+](=O)[O-])cc1 1862584566 BDCYKHXINIZKKV-GOSISDBHSA-N 449.290 5.136 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(F)cc1F 1862596184 SXIJJPFVEYXXRC-JLCFBVMHSA-N 435.426 5.010 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 1862616335 QEIMIQUYMCCTEA-ISKFKSNPSA-N 447.575 5.304 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1ccc(C(C)(C)C)cc1 1862644396 KBKLNEFEHIDBIO-OYHNWAKOSA-N 439.527 5.509 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCCOC(C)C)c1 1862661939 YDPNLCRJFMHLIQ-DEOSSOPVSA-N 435.564 5.512 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862672484 CDPZZZWNAUJQHW-HSZRJFAPSA-N 437.511 5.526 30 10 IKEE CCOc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cccc(Cl)c3)C2=O)cc1 1862829608 BDCCUKUFZDONDL-UHFFFAOYSA-N 443.890 5.007 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccccc2Cl)=C(c2ccc(C)cc2)C1=O 1863621280 KAULSHUZFOLNLG-UHFFFAOYSA-N 438.999 5.879 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N1CCN[C@@H](c2ccccc2)C1=O 1866342792 ZHMKCROCEBNWMU-MHZLTWQESA-N 442.688 6.948 30 10 IKEE C=CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSc1nc2ccccc2s1 1870233515 SVYLGHVUWYSVQP-UHFFFAOYSA-N 445.569 5.387 30 10 IKEE CCCCCCCOc1cn(CC)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870251440 JKTXZDUCYSGDMZ-UHFFFAOYSA-N 427.614 5.702 30 10 IKEE CCCCCCCOc1cn(CCCOCC)c(CSCc2ccccc2)cc1=O 1870252340 OIIZFZBDDHXHSM-UHFFFAOYSA-N 431.642 6.058 30 10 IKEE C=CCn1cc(OCC(=O)OCCCCC)c(=O)cc1CSc1ccc(Cl)cc1 1870254157 SUABYUZFISEUQT-UHFFFAOYSA-N 435.973 5.092 30 10 IKEE C=CCn1cc(OCc2ccc(CC)cc2)c(=O)cc1CSCc1nc2ccccc2[nH]1 1870269603 JYMRRACVYPDAJU-UHFFFAOYSA-N 445.588 5.485 30 10 IKEE C=CCn1cc(OCc2c(F)cccc2Cl)c(=O)cc1CN(C)Cc1ccccc1 1870636131 QRQXREZLDMWUGW-UHFFFAOYSA-N 426.919 5.038 30 10 IKEE CCCCCCCCCCN1COc2c(cc3c(c2C)O/C(=C\c2ccc(C)o2)C3=O)C1 1871355930 NLXJRGIOAHAAMM-JLPGSUDCSA-N 437.580 6.805 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1cccc([N+](=O)[O-])c1)C3=O)CN([C@H]1CCCC[C@@H]1C)CO2 1871356194 YUZOMVBSYNKBGC-ZGVSQEKUSA-N 434.492 5.250 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCCCOc4ccccc4)ccc3C2=O)c(OC)c1 1871397495 UECSNHBBYVSZHY-MYYYXRDXSA-N 432.472 5.168 30 10 IKEE CCc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871454822 ZNBKZBRCFBJORO-OYKKKHCWSA-N 427.500 5.500 30 10 IKEE CCc1cccc(CC)c1NC(=O)COc1ccc2c(c1C)O/C(=C\c1cccs1)C2=O 1871455681 UBUIYVKDGREFSW-HMAPJEAMSA-N 447.556 5.815 30 10 IKEE Cc1cc(OCC(=O)Nc2ccccc2F)cc2c1C(=O)/C(=C/C=C/c1ccccc1)O2 1871460091 VGYOBSITAYCIKW-JEUHMODBSA-N 429.447 5.324 30 10 IKEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1cccs1 1872012881 XVKRHFMCNNVAIM-HXUWFJFHSA-N 448.654 5.276 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(-c2ccccc2C)cc1)[C@@H](C)CC)S(=O)(=O)CC 1872216372 VRWHPNLHNZOBQN-YADARESESA-N 442.625 5.243 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(Br)c3)n2)cc1F 1872775491 RPEXYRSSCDQQRM-AWEZNQCLSA-N 431.286 5.210 30 10 IKEE COc1cc(C(=O)[C@H](C#N)c2nc(-c3cccc4ccccc34)cs2)cc(OC)c1OC 1872775639 WFZCGGHGQXIGHL-IBGZPJMESA-N 444.512 5.479 30 10 IKEE N#C[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872779976 WNQANUGHMNGVSA-OAQYLSRUSA-N 441.468 6.001 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(Cl)cc3Cl)n2)cc1C 1872782825 NUBZXRBHBGXOFF-MRXNPFEDSA-N 431.344 5.989 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)n1 1872785466 NONOARKEGWULIF-HSRJRILOSA-N 445.544 6.214 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)CCCOc2ccccc2)n1 1872786709 QFDIXSQPUCOFGS-LJQANCHMSA-N 440.952 5.816 30 10 IKEE CC(C)Oc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 1872788198 WWJUBRQILRNXEP-GOSISDBHSA-N 445.371 6.323 30 10 IKEE C=CCc1ccccc1OCc1ccc(C(=O)Nc2ccc(N(CC)CC)cc2C)cc1 1872859524 UWXMDGBLPKSMIZ-UHFFFAOYSA-N 428.576 6.401 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc([N+](=O)[O-])cc2)=C(c2cc(C)ccc2C)C1=O 1873395119 XMVHEEQQLNLGLD-UHFFFAOYSA-N 449.551 5.764 30 10 IKEE C=CCn1c(C(=O)Nc2cc(Cl)cc(Cl)c2)cc2c(NCCCOCC)ncnc21 1873604955 BOAVMIVTCLFBSO-UHFFFAOYSA-N 448.354 5.015 30 10 IKEE CCCSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1cccc(OC)c1 1874209365 GIWVOWGSEICRHQ-HYARGMPZSA-N 445.386 5.024 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCCc2ccccc2)n1/N=C/c1ccccn1 1874300832 VNFUVAOFIPXCOB-WPWMEQJKSA-N 443.576 5.086 30 10 IKEE COc1ccccc1CCc1nnc(SCc2cccc(C)c2)n1/N=C/c1cccs1 1874312947 VKQYUMFWAOQFLE-PCLIKHOPSA-N 448.617 5.616 30 10 IKEE Cc1ccc(OCc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccco2)c(C)c1 1874326113 YQYYYDLCBWPQEJ-DHRITJCHSA-N 436.512 5.381 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3)n2/N=C/c2ccc(F)cc2)cc1C 1874329719 BHIZYMUFZSEQQI-OGLMXYFKSA-N 444.579 5.994 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2ccncc2)cc1C 1874357621 RAKZIKWXYVWUCE-JVWAILMASA-N 427.577 5.364 30 10 IKEE CCCSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874359764 XYXJRRVQULRXLI-ZMOGYAJESA-N 444.988 5.238 30 10 IKEE Cc1ccc(CSc2nnc([C@@H](C)c3ccccc3)n2/N=C/c2ccccc2C)cc1 1874391944 YQPPICRHZSZAKC-XLKFHUSGSA-N 426.589 6.221 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2[C@H](C)c2ccccc2)cc1 1874394231 HQVGJZGZWHNDQT-WKTMJKCCSA-N 444.579 6.306 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc(O)cc1 1874399858 DMUJMJIRIZADNL-AEIQVQRHSA-N 448.979 5.963 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2cccc(Cl)c2)c1 1874415938 OQFYPZWDAKZNCB-WGOQTCKBSA-N 432.980 6.005 30 10 IKEE O=[N+]([O-])c1cccc(/C=N/n2c(SCCc3ccccc3)nnc2-c2ccccc2)c1 1874428714 YGTVYOYLGBKLHN-JJIBRWJFSA-N 429.505 5.070 30 10 IKEE Cc1ccc(CSc2nnc(CC(C)(C)C)n2/N=C/c2ccc(Cl)c(Cl)c2)cc1 1874436448 BCNHKMZPBIIRTA-DHRITJCHSA-N 447.435 6.656 30 10 IKEE Clc1ccc(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2ccncc2)c(Cl)c1 1874451101 RCLHPPUTTBPCKM-HPMPDSITSA-N 434.352 5.006 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc(Cl)c2)n1/N=C/c1cc(Cl)ccc1O 1874486053 YVMRPSLDPZQBDZ-FOKLQQMPSA-N 435.380 5.763 30 10 IKEE COc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2cc(C)ccc2C)c(OC)c1 1874490042 XEIDWKUQQNKPER-AFUMVMLFSA-N 438.597 5.285 30 10 IKEE CCCSc1nnc(C2CCC2)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874496497 PCAIOMNVTSXACF-MFKUBSTISA-N 441.000 6.162 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(COC)nnc2SCc2cc(C)ccc2C)cc1 1874501800 APVLYUARFFGAJO-MFKUBSTISA-N 437.613 5.062 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(Br)cc1 1874504039 HRHMIOCXMYASTI-WSDLNYQXSA-N 433.350 5.307 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1/N=C/c1c(OC)ccc2ccccc12 1874507576 KCHYUCFFKZPNIY-CVKSISIWSA-N 434.540 5.706 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc(Cl)cc1 1874511105 KLERZZMXGZXONI-FOKLQQMPSA-N 439.799 6.365 30 10 IKEE Cc1ccc(OCc2nnc(S)n2/N=C/c2c(Cl)cccc2Cl)c(C(C)(C)C)c1 1874569153 KASSQWLLPTVMAG-BHGWPJFGSA-N 449.407 5.941 30 10 IKEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1ccccc1Cl)Nc1ccccc1F 1874574969 NTJZXUZNYIRVLC-PKNBQFBNSA-N 444.289 6.046 30 10 IKEE O=C(/C=C/c1c(OCCc2ccccc2)ccc2ccccc12)c1ccc2c(c1)OCCO2 1874581766 FPACJUVUZIPWKO-OUKQBFOZSA-N 436.507 6.129 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccccc2OCCc2ccccc2)cc1 1874584551 ULLGHEJDORBMBL-DYTRJAOYSA-N 442.599 7.553 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2cc(C)ccc2C)c(C)c1C 1874586600 VQASNGSRQSDYGJ-WYMLVPIESA-N 443.543 5.842 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OCC(=O)Nc1cc(C)cc(C)c1 1874594879 IHTMDBZNLYWUCQ-CSKARUKUSA-N 449.934 5.879 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2cccc(OCc3cccc(Cl)c3)c2)cc1Cl 1874599754 BYEIDHSTSUOFRQ-CMDGGOBGSA-N 447.745 7.131 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc([N+](=O)[O-])c1OCc1ccccc1C 1874609212 FAXLGDFOLIQHSQ-NTEUORMPSA-N 447.487 5.786 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1)c1cccc(Br)c1 1874609792 KMMZFBUYKMPAGD-VQHVLOKHSA-N 445.715 6.717 30 10 IKEE CCCOc1c(Br)cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1OCC 1874622119 MYVWEJHGZFJZIQ-FNORWQNLSA-N 447.325 5.304 30 10 IKEE COC(=O)c1ccc(COc2c(Cl)cc(/C=C/C(=O)c3ccc(F)cc3)cc2OC)o1 1874624877 AMJGCBRHZQVOHV-YCRREMRBSA-N 444.842 5.342 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)c(C)c1C 1874626599 MQJJBQKZRQNEPC-GXDHUFHOSA-N 443.543 5.842 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OCC(=O)Nc1ccccc1 1874630549 HSEPVGUWFOGYQN-ZRDIBKRKSA-N 445.515 5.234 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OCc1ccccc1C 1874634352 XRXQRLPKZBQJSF-ZHACJKMWSA-N 434.963 7.057 30 10 IKEE O=C(COc1ccc(Cl)cc1)Oc1cccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c1 1874693723 SLWMRMVRARTONL-OVCLIPMQSA-N 446.930 6.099 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cccc(OC(=O)COc2ccc(Cl)c(C)c2)c1 1874698977 XGSUVABNEKMMMW-JLHYYAGUSA-N 436.891 5.538 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cccc(OC(=O)[C@H]3C[C@H]3c3ccccc3Cl)c2)c1 1874703453 QLMASDQCGKDLLH-UZEKWKPYSA-N 430.931 6.562 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1OC(=O)[C@H](C)c1ccccc1 1874706150 RTFKEQPZLMLCQN-FVECTHPASA-N 442.555 6.598 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC(=O)c2sccc2C)c1 1874709680 NUFFEZMUEBGKAS-PKNBQFBNSA-N 434.557 6.478 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2cccc(OC(=O)c3cncc(C)c3)c2)cc1Cl 1874713820 PALHYGABHXLVJU-BQYQJAHWSA-N 437.879 5.176 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3cc(Cl)ccc3Cl)c2)c(C)c1 1874716353 OEHORAXSOUWAPJ-JXMROGBWSA-N 439.338 7.034 30 10 IKEE CCC(=O)Oc1cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)c(Br)cc1OC 1874717586 CXRRJXXEPRZYOD-BQYQJAHWSA-N 447.325 5.295 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccncc2)c(Br)c1)c1ccc(Cl)cc1 1875126080 OVNSMNQDHLKMSG-LREOWRDNSA-N 442.696 5.613 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)C(F)(F)F)c(Br)c2)c(C)c1 1875131521 BYBHTCXWVZFEBL-QPJJXVBHSA-N 427.216 5.430 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccn2)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 1875135496 SWWJFBULSXIDCT-XBXARRHUSA-N 443.242 5.412 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2OC)c1 1875136765 WEZIIYQMFMDNHQ-KPKJPENVSA-N 446.499 5.065 30 10 IKEE COc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 1875148995 SNSFDKWOQMMDGB-CNHKJKLMSA-N 444.527 5.873 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 1875161215 FJLYLZMOTJCEJR-VIZOYTHASA-N 448.946 6.761 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)C23CC4CC(CC(C4)C2)C3)cc1 1875169337 HXYQKSBGWAXNSO-RMKNXTFCSA-N 444.571 6.330 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)COc3c(C)ccc(C)c3C)cc2)c(C)c1 1875182656 NZPFGIRZMAMZBG-SDNWHVSQSA-N 442.555 6.418 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])c(Cl)c2)c(C)c1 1875182978 DVAJVVBYIZKYRL-CSKARUKUSA-N 449.890 6.289 30 10 IKEE CCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OC 1875183542 HCTSLOVJXWUVMU-BQYQJAHWSA-N 431.326 5.594 30 10 IKEE C#CCN(Cc1ccccc1)C(=O)c1ccc(Br)c(NC(=O)OC(C)(C)C)c1 1885430072 XNANBNKQQXZVEA-UHFFFAOYSA-N 443.341 5.072 30 10 IKEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCS[C@@H](c4ccccc4C)CC3)n[nH]2)c1C 1889946944 GIYUNBHXKIGMDY-HSZRJFAPSA-N 449.624 5.095 30 10 IKEE CCCCCCCCCCC[C@H](O)c1sc(Br)cc1Br 1922946053 NCCQYVXXUBCMSW-AWEZNQCLSA-N 426.258 7.227 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@]1(C#N)CN(Cc2ccccc2)C(C)(C)C1 1949245824 AZCRRPPPYWDZCI-RUZDIDTESA-N 439.987 6.028 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1949525281 OCXTZULCCCKFNY-UUOWRZLLSA-N 435.609 5.486 30 10 IKEE CCCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CN(Cc2ccccc2)C2(CCCCCC2)C1 1950506148 XOEMVMWNPHRBHO-SANMLTNESA-N 425.617 5.895 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1982205626 OOSUKHORBAHQQT-IVZQSRNASA-N 435.952 5.279 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)CCCN(C)C(=O)OC(C)(C)C)c1 2002708286 IPLSLCBTAOWCKU-XMMPIXPASA-N 431.577 5.666 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)([C@H](O)CC#CC2CCCCC2)C1 2041887478 PUOQLMWMZUHXMC-SHQCIBLASA-N 441.612 5.165 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCC)c2scc(Br)c2C)C1 2062968977 DTPRHVRSBZCOAM-MRXNPFEDSA-N 429.424 5.331 30 10 IKEE C=CCCC[C@@H](NC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071358338 OPUSTCYEJYUSGE-LEAFIULHSA-N 431.576 5.822 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)C1(C#N)CCP(C)(=O)CC1 2073271435 KVCABEAMBIMNQO-UHFFFAOYSA-N 427.279 5.240 30 10 IKEE Cc1cc(C)c([C@H](C2CCC2)n2nc(C(C)C)c(C#N)c2I)c(C)c1 2079993212 OVGRBEZCVSATGY-FQEVSTJZSA-N 447.364 5.798 30 10 IKEE CC(C)(C)c1nn([C@@H](c2ccc(C(F)(F)F)c(F)c2)C2CC2)c(Br)c1C#N 2080042691 KAMGQXSARXVUNU-OAHLLOKOSA-N 444.270 5.972 30 10 IKEE N#Cc1c(-c2ccccc2)nn(Cc2c(F)cccc2Br)c1Br 2080352252 GMIHZSHCSOGVPI-UHFFFAOYSA-N 435.094 5.134 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)C1CC(C(F)(F)F)C1 2105185052 ZYJVMGOEAUSUBP-KOHJWAIASA-N 433.268 5.671 30 10 IKEE C=CCN(CC[C@@H](NCCC)c1cc(C)cc(Br)c1F)C(=O)OC(C)(C)C 2155521520 PNXZKVGSAQUHNB-GOSISDBHSA-N 443.401 5.751 30 10 IKEE CCCC#C[C@H](NCCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2213316845 VZVBKZDSCVBGAC-JYFHCDHNSA-N 428.617 5.002 30 10 IKEE C=CCN(CC[C@@H](NCCC)c1sc(C)c(C)c1Br)C(=O)OC(C)(C)C 2229303973 JMSINWSKGCDXFW-MRXNPFEDSA-N 445.467 5.981 30 10 IKEE CCCCCCC[C@H](NC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237397762 GNNNXOFPOKAPBD-PMACEKPBSA-N 441.454 5.833 30 10 IKEE CCCC#CC[C@@H](NCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237408315 DKDNMXDVRORTQK-WOJBJXKFSA-N 437.422 5.057 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)c(Cl)c1 2254803721 DOMHKCWKBGOLIH-UHFFFAOYSA-N 445.756 5.125 30 10 IKEE O=C(C#CC1CCCC1)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2274048232 FSVCODALFVLTCA-LJAQVGFWSA-N 440.539 5.641 30 10 IKEE C=C(C)CCCC[C@@H](NCC)[C@H](O)c1cc(Br)c(Br)s1 2287388370 RGFCSQQXHOXVGO-OCCSQVGLSA-N 425.230 5.421 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C 2296300694 LLFAZQBLMMGESA-MOPGFXCFSA-N 437.422 5.108 30 10 IKEE CN[C@H](C#Cc1ccc(Br)cc1)c1cc(NC(=O)OC(C)(C)C)ccc1C 2296306836 MMNIXOFRUMGHML-HXUWFJFHSA-N 429.358 5.417 30 10 IKEE Cc1cc(N2C(=O)C(=O)C(=C(O)c3ccc(F)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)no1 2296573935 FFAXGXFFLXBTER-OAQYLSRUSA-N 434.467 5.046 30 10 IKEE O=C(Oc1ccc(F)cc1C(=O)C=Cc1ccccc1F)c1ccccc1Br 2296759994 IJBGIDNOIXWFQN-UHFFFAOYSA-N 443.243 5.843 30 10 IKEE Cc1ccc(N=C2SC(=Cc3ccc(O)cc3)C(=O)N2c2ccc(C)c(C)c2)cc1C 2297456024 MMQCPIFJAXNHKY-UHFFFAOYSA-N 428.557 6.434 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCc4ccc(C(=O)OC)cc4)ccc3C2=O)cc1 2314438433 SFXFCHCHHVASJJ-UHFFFAOYSA-N 430.456 5.067 30 10 IKEE COc1cc(C=CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)ccc1OCCC(C)C 2314770329 PCOWLCVVTCKPRQ-QGZVFWFLSA-N 438.593 5.830 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C2CC2)c1 2320921001 LCFUQLDCYSSUKA-UHFFFAOYSA-N 430.936 5.521 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1C 2321344027 IILCMVJIDFBMKW-WYEJZRMESA-N 443.588 5.664 30 10 IKEE Cc1c(OCC(=O)OC(C)(C)C)ccc2c1OC(=Cc1cccc(Br)c1)C2=O 2321734610 IPQFOBXNEPCHNA-UHFFFAOYSA-N 445.309 5.094 30 10 IKEE COc1ccc(C=C2Oc3cc(OCc4c(Cl)cccc4Cl)cc(C)c3C2=O)cc1 2321773215 WDTYGHJFIJJPRM-UHFFFAOYSA-N 441.310 6.506 30 10 IKEE Cc1ccc(COc2ccccc2C=Nn2c(S)nnc2Cc2ccccc2F)cc1 2321981699 POHSPEYADRAXKL-UHFFFAOYSA-N 432.524 5.066 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1cccc(Cl)c1)O3)CN(Cc1ccc(F)cc1)CO2 2322052137 QYBBLROZULLBBC-UHFFFAOYSA-N 435.882 5.756 30 10 IKEE COc1cccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccccc2F)C4)c1 2322056839 XSXNWMXMSKMNRE-UHFFFAOYSA-N 431.463 5.111 30 10 IKEE O=C1C(=Cc2ccc(-c3ccccc3)cc2)Oc2c1ccc1c2CN(CCCCCO)CO1 2322095572 RPDJSYCKPWDBRX-UHFFFAOYSA-N 441.527 5.284 30 10 IKEE COc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(CCc1cccs1)C3 2322194690 HJXGKVSTRYUFSU-UHFFFAOYSA-N 433.529 5.076 30 10 IKEE COc1cccc(C(=O)C=Cc2c(OCc3cccc(Cl)c3)ccc3ccccc23)c1 2322371564 STXZBEVXNYVUIX-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE COc1cccc(C(=O)C=Cc2cccc(OC)c2OCc2c(F)cccc2Cl)c1 2322377444 NCBWUYDEOWCJPL-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE CCN(CC)CCCCN1COc2c(cc3c(c2C)OC(=CC=Cc2ccccc2)C3=O)C1 2322390837 IOTRDDHIKZCBMT-UHFFFAOYSA-N 446.591 5.441 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(Br)cc2)c1OCc1ccc(C)cc1 2322430176 KKRAOQVFGJNFGX-UHFFFAOYSA-N 437.333 6.241 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(Br)cc1)C3=O)CN(CCC(C)C)CO2 2322437057 TUVVYLJZMKETKL-UHFFFAOYSA-N 442.353 5.572 30 10 IKEE Cc1ccc(C(=O)C=Cc2c(OCC(=O)Nc3cc(C)cc(C)c3)ccc3ccccc23)cc1 2322591583 LRTOQRMCTAHMPH-UHFFFAOYSA-N 449.550 6.679 30 10 IKEE COc1ccc(OC)c(C=C2Oc3c(ccc(OC(=O)c4ccc(C)cc4)c3C)C2=O)c1 2322671523 XNUGBVGQNUQMJF-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE Cc1cc(OC(=O)c2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1ccc(N(C)C)cc1)O2 2322705095 IZCPOCGJSYVBDC-UHFFFAOYSA-N 433.891 5.550 30 10 IKEE Cc1c(OC(=O)Cc2cccs2)ccc2c1OC(=Cc1cn(C)c3ccccc13)C2=O 2322867190 IWWWMNOAIAGFET-UHFFFAOYSA-N 429.497 5.313 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2ccc(F)cc2)cc1C 2322899744 ASPSOEYWFCRLAY-UHFFFAOYSA-N 437.898 6.010 30 10 IKEE COc1c(Br)cc(C=NNc2ccc(C)c(Cl)c2)cc1Br 2322974162 JWBUGGDFLMHWAW-UHFFFAOYSA-N 432.543 5.628 30 10 IKEE Cc1cc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)ccc1[N+](=O)[O-] 2323279856 ADQXGTZWKNWJMH-UHFFFAOYSA-N 433.391 5.186 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(Cl)c1OCc1ccccc1C 2323419486 MFBIABQQLTXYBD-UHFFFAOYSA-N 446.974 7.011 30 10 IKEE CCOc1cc(C=Nn2c(S)nnc2C2CCCCC2)cc(Cl)c1OCC(C)C 2323482964 YEPIJANGWMRAJA-UHFFFAOYSA-N 437.009 5.584 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1Cl)Nc1ccccc1 2323720796 HFQZUQBJTIQLJP-UHFFFAOYSA-N 427.834 5.532 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(CN4C[C@@H](C)C[C@@H](C)C4)c(O)cc(C)c3C2=O)cc1 2324055054 OOPRDDMVEAWXSX-KDURUIRLSA-N 448.607 5.641 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 2324055356 ABJKPILMDIOXCO-UHFFFAOYSA-N 427.544 6.206 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3cccc4ccccc34)cc2)c(C)c1 2324128299 CXRQYRCBLCUSTF-UHFFFAOYSA-N 435.523 6.370 30 10 IKEE Cc1cc(O)c(CN2CCCC[C@@H]2CCO)c2c1C(=O)C(=Cc1ccc(C(C)C)cc1)O2 2324140876 DDAYCCYMNOLYHS-OAQYLSRUSA-N 435.564 5.177 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(F)cc3)cc2OCC)o1 2324195053 VTTUKOQIEKDFDT-UHFFFAOYSA-N 438.451 5.469 30 10 IKEE COc1cccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccccc4C)cc(C)c3C2=O)c1 2324407241 PBHVHQCAPCRBCD-GOSISDBHSA-N 443.499 5.334 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2cccc(C)c2)C3=O)cc1 2324451452 MUXRTNFRBDCUEP-QGZVFWFLSA-N 429.472 5.026 30 10 IKEE CCc1ccc(OCCCOc2ccc3c(c2)OC(=Cc2ccccc2OC)C3=O)cc1 2324653658 BOYLZZQHGFIVJN-UHFFFAOYSA-N 430.500 5.722 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(OC)cc3)n2)c1 2324736430 YXGBBCVNMZMFIF-NRFANRHFSA-N 448.544 5.506 30 10 IKEE Cc1c(OCC(=O)OCC(C)C)ccc2c1OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2325068338 REMDTNNOXOPESV-UHFFFAOYSA-N 442.511 5.856 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc([N+](=O)[O-])cc1 2325532464 BCWALZGQLRHIJN-UHFFFAOYSA-N 429.933 5.357 30 10 IKEE CCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2325592638 RCLZDVVSOFFZOK-UHFFFAOYSA-N 429.933 5.193 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)CCCOc3ccccc3C)c2)cc1C 2325714795 MBAITESEKCWKSY-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)cc1C 2325738435 CNPSUMYWLFHGQF-UHFFFAOYSA-N 442.515 5.003 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1cccc(C=CC(=O)c2cc(C)ccc2OC)c1 2325743453 YBVGXSZNAIOXPQ-UHFFFAOYSA-N 446.499 5.283 30 10 IKEE Cc1cccc(C)c1OCC(=O)Oc1cccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)c1 2325746563 BEKNAPYDOXONAZ-UHFFFAOYSA-N 442.555 6.481 30 10 IKEE CSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1ccc(Cl)cc1 2325911118 NBGDXXPDINIEMT-UHFFFAOYSA-N 427.744 5.421 30 10 IKEE CCCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc(O)c(OC)c1 2326615569 OJSQWZFYBFSSMV-UHFFFAOYSA-N 446.576 5.315 30 10 IKEE CCn1cc(C=Nn2cnnc2SCc2ccc(Cl)cc2Cl)c2ccccc21 2326697534 BLZMYVHPJFCXHL-UHFFFAOYSA-N 430.364 5.734 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc(OC)c(O)c1 2326701765 WLBJAXNPNHHOSJ-UHFFFAOYSA-N 437.352 5.036 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2C)n1N=Cc1cccc(OCC)c1 2327117293 ZZNKTCDEZUSBDQ-UHFFFAOYSA-N 438.597 5.381 30 10 IKEE Cc1ccccc1CSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccncc1 2327511944 SVYVAIYZQBKMOR-UHFFFAOYSA-N 449.967 5.388 30 10 IKEE C=C(C)CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1ccc(C(C)(C)C)cc1 2328486152 OMOQKHMICXQVBE-UHFFFAOYSA-N 449.580 5.625 30 10 IKEE C=C(C)CSc1nnc(COc2c(C)cccc2C)n1N=Cc1ccc(C(C)C)cc1 2328557119 HQVJWRJZEFRSAO-UHFFFAOYSA-N 434.609 6.148 30 10 IKEE CCCCOc1ccc(C=Nn2c(Cc3ccc(OCC)cc3)nnc2SCC)cc1 2328565867 SPDTZAQICHMILF-UHFFFAOYSA-N 438.597 5.441 30 10 IKEE COc1cccc(CCc2nnc(SCc3cc(C)ccc3C)n2N=Cc2ccc[nH]2)c1 2328638890 YICYIXPOUOUPOX-UHFFFAOYSA-N 445.592 5.191 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2ccccc2F)cc1C 2328793048 NGQMMYKENDWFCY-UHFFFAOYSA-N 446.551 5.788 30 10 IKEE C=CCSc1nnc(CCOc2ccccc2)n1N=Cc1ccc(C(F)(F)F)cc1 2329207041 NPAWGBZSQNZPJI-UHFFFAOYSA-N 432.471 5.079 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2C)n1N=Cc1ccccn1 2329470095 YDWUOTAEDFJERM-UHFFFAOYSA-N 427.577 5.250 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2ccccc2F)nnc1-c1ccccc1Cl 2329573769 YPUPVKFCQYUJJK-UHFFFAOYSA-N 436.943 6.221 30 10 IKEE Cc1ccc(O)c(C=Nn2c(CCc3cccs3)nnc2SCc2ccccc2)c1 2329662449 XTTVMVYDFQKMRG-UHFFFAOYSA-N 434.590 5.313 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(C)c3)cc2OC)cc1 2330880142 CFNAKHXKOZXBJL-UHFFFAOYSA-N 446.499 5.065 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C2CCCC2)c(Br)c1)c1ccc([N+](=O)[O-])cc1 2331030466 UMVWCXIIRNVDRV-UHFFFAOYSA-N 444.281 5.349 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)Cc2cc(Cl)ccc2Cl)cc1 2331051232 LFCZXLFMJIIKGC-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)c2ccccc2Cl)c(Cl)c1 2331059469 FUOSEVHFUXVJCC-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Br)c1OC(=O)CC 2331132835 NBQYMXMBNWYWBA-UHFFFAOYSA-N 437.717 5.713 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccco2)n1N=Cc1ccccc1OC(C)C 2331174168 GIXJVLMQSYNIAJ-UHFFFAOYSA-N 432.549 5.808 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Br)c(OC(=O)C(C)C)c(OC)c2)cc1 2331205417 PZCOIHIJFHOWMO-UHFFFAOYSA-N 447.325 5.314 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(-c2ccco2)n1N=Cc1cccnc1 2331216058 WIENYCWSEASSSB-UHFFFAOYSA-N 430.320 5.414 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccco3)n2N=Cc2cccs2)c(Cl)c1 2331225685 NAEMSVWKXWOBFB-UHFFFAOYSA-N 435.361 6.081 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc(Cl)c1OC(=O)COC 2331245997 QISQPQQPWFDVLA-UHFFFAOYSA-N 443.710 5.493 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1N=Cc1ccccc1C 2331319970 HTGAOYSBDNUWFF-UHFFFAOYSA-N 435.597 5.159 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)CC2CCCCC2)c([N+](=O)[O-])c1 2331362175 FSZRQVHTPLYCBW-UHFFFAOYSA-N 437.492 5.684 30 10 IKEE C=CCSc1nnc(CC(C)C)n1N=Cc1ccccc1OCc1ccccc1Cl 2331461064 FWXGZSMBLXFAIQ-UHFFFAOYSA-N 441.000 5.869 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCC3)n2N=Cc2cc(Cl)ccc2O)c1 2331523339 QXZQFHSLBCHPSC-UHFFFAOYSA-N 426.973 5.696 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)[C@@H](C)c1ccccc1 2331539691 KOMPYGYMKXEYDZ-IBGZPJMESA-N 444.502 6.168 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 2331562188 PQUTUIRDCFQIBN-UHFFFAOYSA-N 427.334 5.127 30 10 IKEE COCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(C(C)(C)C)cc1 2331616346 KGRQNMAYGWVTFG-UHFFFAOYSA-N 446.979 5.689 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)c1ccc(F)cc1 2331629990 PZSMURWFEVJLRL-UHFFFAOYSA-N 448.490 5.965 30 10 IKEE COc1cc(C(=O)C=Cc2ccc(OC(=O)CC(C)C)c(Cl)c2)c(OC)cc1Cl 2331688816 DOKYYDLGOYYJQE-UHFFFAOYSA-N 437.319 5.858 30 10 IKEE CC(C)c1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(C(F)(F)F)cc1 2331702064 JLZOGDARLKUICX-UHFFFAOYSA-N 438.906 6.248 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)cc3)cc2)c(OCC)c1 2331730988 CUVQOXNBYLYHLT-UHFFFAOYSA-N 448.490 5.667 30 10 IKEE CCSc1nnc(C2CC2)n1N=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2331739118 PCDXTHYQTQNGHW-UHFFFAOYSA-N 447.391 6.036 30 10 IKEE Cc1cncc(C(=O)Oc2ccc(C=CC(=O)c3cc(C(C)(C)C)ccc3C)cc2Cl)c1 2331793004 YYQVSKNDIXRRNW-UHFFFAOYSA-N 447.962 6.765 30 10 IKEE N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCC(=O)NCCc1ccccc1 1028746 UJQLLCMGMHCJAR-UHFFFAOYSA-N 447.507 5.152 30 10 IKEE Cc1cc(C)cc(NS(=O)(=O)c2ccc(/N=C/c3cc([N+](=O)[O-])ccc3Cl)cc2)c1 12484344 WOWYHDOPAYNJFN-YDZHTSKRSA-N 443.912 5.416 30 10 IKEE Cc1ccccc1CSc1n[nH]c(N/N=C/c2ccc(OCc3ccc(F)cc3)o2)n1 20424879 OUEABOVEYRLZGN-WYMPLXKRSA-N 437.500 5.163 30 10 IKEE C=CCn1c(CNc2cccc3ccccc23)nnc1SCc1nnc(C(C)(C)C)o1 20831010 VDPSSIFZSPHPNE-UHFFFAOYSA-N 434.569 5.202 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)CCSc2n[nH]c(N/N=C/c3ccc(C)cc3)n2)cc1 20908259 XKVHKRPMFWYVHV-HIQXPHMNSA-N 436.585 5.194 30 10 IKEE COc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(Cl)c(Cl)c2)C3)cc1OC 21256105 PSBOCZWFAJWDQU-CABCVRRESA-N 446.330 5.015 30 10 IKEE CCN1C/C(=C/c2ccccc2OC(F)F)C(=O)/C(=C\c2ccccc2OC(F)F)C1 33623200 TXHCLNMMWYZGSW-WHYMJUELSA-N 435.417 5.261 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1ccc(C(=O)/C=C/c2ccc(C(C)C)cc2)cc1 34954127 BITMAOOHRWTZTN-LICLKQGHSA-N 430.500 5.943 30 10 IKEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@@H]3c3ccc(Cl)cc3)ccc2O1 38256105 KWEUESAFPMBFIC-RCDICMHDSA-N 449.890 5.035 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1cccc(OC)c1 40081037 SQOXBUQMNMBILJ-HSZRJFAPSA-N 437.536 5.108 30 10 IKEE C=C(Br)Cn1c([C@@H](C)NC(=O)Cc2ccc(Cl)cc2)nc2ccccc21 40195263 UDXBJNNZYOQEAT-CQSZACIVSA-N 432.749 5.018 30 10 IKEE C=CCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2[C@@H]1c1ccc(OCCCC)c(OC)c1 40513275 UNUFJVPLXRXWOV-DEOSSOPVSA-N 447.531 5.329 30 10 IKEE CC(=O)C1=C(C)Nc2nc(SCc3ccccc3)nn2[C@H]1c1cccc(OC(C)C)c1 54644512 ZUEBETWHAYUUKF-QFIPXVFZSA-N 434.565 5.236 30 10 IKEE C=C(C)COc1ccc(NCC(=O)Nc2cccc(C(=O)N[C@H](C)c3ccccc3)c2)cc1 66062260 HOUZGIRLMZPWOC-HXUWFJFHSA-N 443.547 5.183 30 10 IKEE CCCOc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(C)c(C)c3)N(CC)C2=O)cc1 96822718 UGMUOQCCZQXROV-LRJXLTTPSA-N 439.581 5.072 30 10 IKEE CCCCCCCOc1ccccc1[C@@H]1Nc2ccccc2C(=O)N1CCc1ccccc1 100139853 IXFCOLVQSFOQPL-MUUNZHRXSA-N 442.603 6.845 30 10 IKEE CCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)OC[C@H]3CCCO3)cc2)cc1 100297779 IVXVCYRUBWFUIA-XMMPIXPASA-N 440.536 5.591 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(N(CC)CC)cc1)N2 100342216 CYQPRXLJKOIFKT-HFASVGIHSA-N 432.652 7.709 30 10 IKEE C=CCn1c(S[C@H](C)C(=O)Nc2nccs2)nnc1-c1ccc(Cl)cc1Cl 101159592 BXYLCIUPBCTMGF-SNVBAGLBSA-N 440.381 5.014 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2nonc2-c2ccc3c(c2)CCCC3)cc1 101911951 JJLWMWKPKPXBCE-UHFFFAOYSA-N 433.552 6.217 30 10 IKEE CCCCCCCCCCCn1c(CCNC(=O)c2cccc(C)c2)nc2ccccc21 102140737 URLFDSRFGWQHSM-UHFFFAOYSA-N 433.640 6.848 30 10 IKEE Cc1cc(C)c2nc(N3C(=O)C(=O)/C(=C(\O)c4ccccc4)[C@@H]3c3ccccc3)sc2c1 103222126 RLAGPHLQUNLSAP-MBDQKHHZSA-N 440.524 5.539 30 10 IKEE O=C(/C=C(/Nc1ccccc1)SCc1c(Cl)cccc1Cl)c1ccc(F)cc1 107177520 ROWWIYGIQINJTG-XKZIYDEJSA-N 432.347 7.202 30 10 IKEE COc1cc(/C=N/Nc2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1 169876676 BIJACUCUQHMSRI-AFUMVMLFSA-N 439.353 6.100 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc(C)c(C)c2)=C(O)C(=O)N1c1cc(C)cc(C)c1 169941094 ADVKKGOSXBNBTB-VWLOTQADSA-N 441.527 5.712 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1c1cccc(C)c1 169941721 VOASJQMBHWMKSE-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccncc1 170019469 IQBJJECMGSTULX-HXUWFJFHSA-N 439.298 5.480 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(Cl)cc2)c1 170057507 LTQPSPUFYPPKQQ-NRFANRHFSA-N 437.854 5.271 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 170059763 NYGBJMZMDFHLQI-HXUWFJFHSA-N 440.883 5.159 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(F)cc1)c1c[nH]c2ccccc12 170065161 XQSAWXCQBXDGLH-QHCPKHFHSA-N 444.437 5.225 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2ccc(C)o2)c1 170099519 LPCYCAOOUOLADF-HSZRJFAPSA-N 431.488 5.386 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc(C)c2)cc1C 170145479 PXFXNLQLVAKZPH-XMMPIXPASA-N 433.548 5.613 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccs2)cc1 170155837 VQNUSKOLJNHMQE-OAQYLSRUSA-N 437.492 5.457 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1)c1ccc(Cl)c(Cl)c1 170223457 NVFKINLLYGGBEP-HXUWFJFHSA-N 442.273 5.915 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccccc1)c1cc2cc(Cl)ccc2o1 170231071 KPHKVIFFWHZEAL-JOCHJYFZSA-N 444.874 5.260 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccc(F)cc2)cc1C 170239060 FDSBLUWPEHBAGR-XMMPIXPASA-N 445.490 5.542 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(OCC(C)C)cc2)=C(O)C(=O)N1c1ccccc1 170272179 TUDKZJYODXMXAY-RUZDIDTESA-N 441.527 5.813 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2C)c1 170275320 WOMXNDBTXPNTGM-XMMPIXPASA-N 433.548 5.695 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccco2)cc1C 170286780 FTIMDUVPEWJTNG-NRFANRHFSA-N 437.879 5.341 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2ccco2)cc1C 170297236 SFZHGFCYIHSMAT-DEOSSOPVSA-N 445.515 5.300 30 10 IKEE CC(C)[Si](C#Cc1ccc(Cc2cccc(Br)c2)cc1)(C(C)C)C(C)C 196117016 BTIYTKKSDVLEHD-UHFFFAOYSA-N 427.502 7.609 30 10 IKEE CSc1nc(Nc2ccc(Cl)cc2[N+](=O)[O-])c(C#N)c(-c2cccc(Cl)c2)n1 243228695 KLQNVGWCTZFCMT-UHFFFAOYSA-N 432.292 5.696 30 10 IKEE Cc1ccc(/C=C2\SC(=Nc3c(C)cccc3C)N(c3c(C)cccc3C)C2=O)s1 252625635 QOFSONJZHICVCA-DZQLAOGOSA-N 432.614 7.099 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=Nc1ccc(OC)cc1 254583740 SWMOBNPBOILOTF-AWAAXKIWSA-N 449.488 5.487 30 10 IKEE CCCc1nnc(SCc2ccccc2)n1/N=C\c1cc(Br)ccc1OC 526799397 HZOSAICLQJHCCO-XKZIYDEJSA-N 445.386 5.176 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1cccc(C(F)(F)F)c1 526807239 PIJGZHIJNBDWLY-ROTLSHHCSA-N 438.906 6.077 30 10 IKEE CC(C)Oc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)[C@H]2CCCC[C@H]2C)cc1 586148963 BNZMLIYGGFMXLO-DVECYGJZSA-N 426.582 5.115 30 10 IKEE CC(C)[C@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 698378236 PNXFBWOVKKLWDL-VQTJNVASSA-N 431.577 5.113 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCN(C(=O)OC(C)(C)C)[C@H]2C)c1 698426820 FYPWWQFRAOCFQI-BXKMTCNYSA-N 445.560 5.118 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)C1(C#N)CCC(C(C)(C)C)CC1 698498238 RAUUHMIHPIBXMO-UHFFFAOYSA-N 435.406 6.689 30 10 IKEE CCc1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2cccc(O)c2Cl)cc1 735664766 GXKVQQJEMOJUMW-UHFFFAOYSA-O 436.944 5.090 30 10 IKEE Cc1cc(C)c(C(CSc2nc3ccccc3[nH]2)=NNc2cccc([N+](=O)[O-])c2)cc1C 1084220901 NQYMSOQDNITYEQ-UHFFFAOYSA-N 445.548 6.005 30 10 IKEE CCN(CC)c1ccc(N=Cc2cc(Br)c(I)o2)cc1 1084225842 HPTHZSATPICSKW-UHFFFAOYSA-N 447.114 5.244 30 10 IKEE CC(C)CCSc1n[nH]c(NN=Cc2ccccc2OCc2ccccc2Cl)n1 1084303991 YGQDIXBCXDYKTN-UHFFFAOYSA-N 429.977 5.621 30 10 IKEE CN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=Nc1cccnc1 1772732564 XOVSJKAMUBUWFN-ONBPWHQPSA-N 440.868 5.137 30 10 IKEE COc1ccc(C(=O)Nc2cccc3c(OC(=O)Nc4cccc(C#N)c4)cccc23)cc1 1858770811 DHBGGAIGUZEEDN-UHFFFAOYSA-N 437.455 5.583 30 10 IKEE CCOc1cc(Nc2ncc3c(c2C#N)CCC3)c(OCC)cc1NC(=O)c1ccccc1 1859831708 IGRGGTBVBJLZPX-UHFFFAOYSA-N 442.519 5.235 30 10 IKEE N#Cc1cccc(C(=O)N2CCC(c3ccc(OC(=O)c4cc5ccccc5[nH]4)cc3)CC2)c1 1860706581 DDYUYOBAJOFXHK-UHFFFAOYSA-N 449.510 5.279 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)c1cccc(OCC(C)C)c1 1861757640 HQDOZNJONKMUNI-VWLOTQADSA-N 446.676 6.267 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CCOC(C)C)c1 1862380009 QRVPBUDFYISMEE-HXUWFJFHSA-N 448.346 5.305 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(N(C)C)cc1 1862381330 XOSRJYCWFGNXBL-RBZFPXEDSA-N 447.362 5.436 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccccc1Cl 1862381341 XWDWOUNGUJUTSJ-SFHVURJKSA-N 438.738 5.881 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(C)cc1 1862400865 OJJCQIAAZMZIHV-VWLOTQADSA-N 449.591 6.251 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2Cc2cccs2)cc1 1862401518 CQWXWIRPVZOTJV-HSZRJFAPSA-N 447.556 5.406 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1c(Cl)cccc1Cl 1862406607 UACOVFLGPDCYCO-LJQANCHMSA-N 434.319 5.299 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862414294 WTBDXVMEJIDESE-HSZRJFAPSA-N 449.453 5.060 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 1862539724 WMINZMBDBADBSV-FQEVSTJZSA-N 432.347 5.790 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862547258 QKYSLSIYYRFOJY-BXKMTCNYSA-N 433.548 5.341 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCc2ccc(Cl)cc2)c1 1862589213 GWQSGJSZTXSSRA-QHCPKHFHSA-N 447.918 5.175 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccccc1F 1862590087 AQXBBVRDOZUZHI-VGSWGCGISA-N 425.500 5.469 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccccc1C(=O)O 1862616434 RLDIEPLXPUICRV-JOCHJYFZSA-N 449.547 5.451 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1[C@H](C)c1ccccc1 1862648560 FHJVFAVHOMDIDN-HRFSGMKKSA-N 447.534 6.488 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CC2)cc1 1862670980 GXSDPGHDCXGMPH-RUZDIDTESA-N 447.575 6.120 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc2cc[nH]c2c1 1862677805 GUIFELPZLBUKAW-VOIUYBSRSA-N 440.474 5.647 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862688123 RZSDQQKTGFJJHO-VWLOTQADSA-N 445.559 5.726 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2C2CCCCC2)c1 1862707222 QNUABEBXDQIWBP-DEOSSOPVSA-N 449.547 5.395 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(O)cc1 1862712813 AHRMWTSFSHQCCM-HFJWLAOPSA-N 449.506 5.885 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc(F)c1)c1ccc2ccccc2c1 1862715522 OLDWBSDFGRWJER-DEOSSOPVSA-N 438.458 5.152 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(Cl)cc1Cl 1862722343 YJAZCUNSGZVUEP-FQEVSTJZSA-N 426.299 5.745 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(Cl)cc1 1862725653 OHTHPSGBGGUNMH-QHCPKHFHSA-N 429.903 5.771 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2Cl)[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 1862736591 KIURQFDWMCKWBE-OAQYLSRUSA-N 448.862 5.027 30 10 IKEE Cc1cc(Cl)ccc1NC1=C(c2ccc(Cl)cc2)C(=O)N(c2cccc(C#N)c2)C1=O 1862799151 YSKMXJHFQKJTEM-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE Cc1cc(Cl)ccc1NC1=C(c2ccccc2F)C(=O)N(c2ccccc2C#N)C1=O 1862934381 QHNLZOQCLUJMCV-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE Cc1cc(Cl)ccc1NC1=C(c2ccccc2Cl)C(=O)N(c2ccc(C#N)cc2)C1=O 1863077442 NERHTKRHDDDGFX-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE C[C@H]1c2[nH]cnc2CCN1c1cc(Nc2ccccc2C#N)nc(-c2ccccc2Cl)n1 1868419811 WNXRJOCOGWDRHR-HNNXBMFYSA-N 441.926 5.259 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3cc(OC)ccc3[C@H]2C)nc(-c2ccc(C)cc2)n1 1869163280 FPUFPKJCWBCCRP-OAQYLSRUSA-N 440.591 5.763 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N2CCC[C@@H](C)C2)nn1-c1ccc(Cl)cc1 1869986618 XWICGRWHXJWWSI-GOSISDBHSA-N 432.012 5.846 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)c2ccc3ccccc3c2)n(-c2ccc(Cl)cc2)n1 1870002219 GGHXYMQLBVGHEN-UHFFFAOYSA-N 443.938 5.505 30 10 IKEE N#Cc1nnn(-c2ccc(OCc3ccccc3)cc2)c1NC(=O)c1ccc2ccccc2c1 1870147145 ARIXFWVAGMARQW-UHFFFAOYSA-N 445.482 5.123 30 10 IKEE C=CCOc1cn(C[C@H](c2ccccc2)N2CCCC2)c(CSC(C)(C)C)cc1=O 1870246317 XWGKNYYRGLDOHS-JOCHJYFZSA-N 426.626 5.282 30 10 IKEE C=CCOc1cn(CCc2ccc(OC)cc2)c(CN(CCCC)CCCC)cc1=O 1870386316 KIWQYARPXPNBJK-UHFFFAOYSA-N 426.601 5.067 30 10 IKEE C=CCOc1cn(CCCCCCO)c(CNc2ccc(Oc3ccccc3)cc2)cc1=O 1870815974 KVLXZRGSTLBSDD-UHFFFAOYSA-N 448.563 5.370 30 10 IKEE CCCCCCCOc1cn(CCCC)c(CNc2cccc(C(F)(F)F)c2)cc1=O 1870830551 UOTRQWMKVYVNNG-UHFFFAOYSA-N 438.534 6.629 30 10 IKEE Cc1cc(OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc2c1C(=O)/C(=C/c1ccccc1)O2 1871377435 LDQURINHLJVTEH-LAUHTZEZSA-N 427.412 5.138 30 10 IKEE Cc1c(OC(=O)CC2CCCCC2)ccc2c1O/C(=C\c1c(F)cccc1Cl)C2=O 1871380531 SWZICVAGTOAXCK-BKUYFWCQSA-N 428.887 6.280 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCCCOc3cccc(C)c3)ccc2C1=O 1871404560 DTTZWWCFXBQCJX-ONUIUJJFSA-N 430.500 5.858 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccccc4)c3C)C2=O)cc1 1871407376 XVKPHEUCNSDCSJ-WSLHGYQHSA-N 443.499 5.416 30 10 IKEE CC(=O)c1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2C)C3=O)cc1 1871421923 CHSXHCYORPYXBX-OYKKKHCWSA-N 441.483 5.140 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2C)C3=O)c(Cl)c1 1871436249 RXBLHBLRKIOART-QRVIBDJDSA-N 447.918 5.899 30 10 IKEE CCOC(=O)c1ccc(COc2ccc3c(c2C)O/C(=C\c2ccccc2OCC)C3=O)o1 1871439023 DLXDBIMSNYWJDS-UCQKPKSFSA-N 448.471 5.359 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3cccc4ccccc34)cc(C)c2C1=O 1871452868 UBCWXINLCQRHEQ-YSMPRRRNSA-N 449.506 6.090 30 10 IKEE CCCCCCCCN=c1nc(N2CCC(C)CC2)[nH]c(=Nc2ccc(C)c(Cl)c2)[nH]1 1871490379 LRORFULROANMRR-UHFFFAOYSA-N 445.055 5.430 30 10 IKEE N#C[C@@H](C(=O)COc1ccc(Cl)cc1)c1nc(-c2ccc(Br)cc2)cs1 1872764865 AHAKIIKDFBUXDI-INIZCTEOSA-N 447.741 5.481 30 10 IKEE COc1ccc(C)cc1-c1csc([C@@H](C#N)C(=O)[C@H](C)Oc2ccc(C(C)C)cc2)n1 1872770814 FTLPYMHDKGRRTR-UWJYYQICSA-N 434.561 5.894 30 10 IKEE COc1ccc(OC)c(CC(=O)[C@@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)c1 1872787649 OPKXJZHDNHTTDI-MRXNPFEDSA-N 447.343 5.553 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(N(C)C)cc3)n2)c2ccccc12 1872788152 FIGIZVFARXBVEE-NRFANRHFSA-N 427.529 5.528 30 10 IKEE CCCCCCCCCCNC1=C(c2cccnc2)C(=O)N(C2CCCCCCC2)C1=O 1873077358 WDFQGDHACTYXDU-UHFFFAOYSA-N 439.644 6.005 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCCCC)=C(c2cc(C)ccc2C)C1=O 1873151093 XLFCPIKAPPFXQI-UHFFFAOYSA-N 440.672 6.694 30 10 IKEE C=CCN1C(=O)C(Nc2cc(Cl)c(Cl)cc2Cl)=C(c2ccccc2OC)C1=O 1873399267 ORLBBXXRQZAXFR-UHFFFAOYSA-N 437.710 5.033 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(Cl)c2Cl)=C(c2ccccc2)C1=O 1873413495 FWDAENYBXBQODR-UHFFFAOYSA-N 445.390 6.546 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc2c(NCCC)ncnc21 1873601347 VIGPRHPTOUXCLC-UHFFFAOYSA-N 437.853 5.364 30 10 IKEE N#Cc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)C23CCCCC3)cc1 1873864584 PQZXBNHOZNSBIS-DEOSSOPVSA-N 427.548 5.382 30 10 IKEE CCCCCCCCCCNC(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12 1873936185 AJGRRGWNISQPLQ-UHFFFAOYSA-N 434.580 5.870 30 10 IKEE CCCSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1cccc(C)c1 1874206823 VOZCPGZIGPYHQB-FSJBWODESA-N 435.380 5.857 30 10 IKEE C=CCSc1nnc(CCc2cccc(OC)c2)n1/N=C/c1ccccc1OCCC 1874310584 CYRNZQPUVYIBGA-XIEYBQDHSA-N 436.581 5.021 30 10 IKEE C=C(C)CSc1nnc(COc2cccc(C)c2C)n1/N=C/c1cccc(OCC)c1 1874323380 MMMXASFENSFCLY-AFUMVMLFSA-N 436.581 5.423 30 10 IKEE Clc1ccccc1CSc1nnc(CCc2cccs2)n1/N=C/c1ccccn1 1874371017 DJCUXGGFJPZIJX-ZVHZXABRSA-N 439.997 5.348 30 10 IKEE Cc1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCc2cccc(F)c2)cc1 1874377700 JJTYBZXMUZWWPH-JFLMPSFJSA-N 434.515 5.630 30 10 IKEE Cc1cccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2cc(C)ccc2O)c1 1874406222 DPNGNOHZAZUIGI-WGOQTCKBSA-N 434.609 5.898 30 10 IKEE Cc1ccc(CSc2nnc(Cc3cccs3)n2/N=C/c2ccc(N(C)C)cc2)cc1 1874411493 WRENMDVBPCSAMD-PCLIKHOPSA-N 447.633 5.479 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1cccc(F)c1 1874437696 OHPGYKONEAQPAB-YDZHTSKRSA-N 427.505 5.089 30 10 IKEE Oc1cccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2[C@@H]2CCCO2)c1 1874450633 HDUPBMFPQCXVCC-RIDKEVFESA-N 449.363 5.317 30 10 IKEE CCOc1c(/C=N/n2c(SCc3ccccc3)nnc2C2CCCC2)cccc1OC 1874455995 VOFALHBFAKYILY-PCLIKHOPSA-N 436.581 5.518 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CCCC2)c1 1874457299 KECGQBGBIAQMPY-MFKUBSTISA-N 441.000 6.162 30 10 IKEE CN(C)c1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CCCC2)cc1 1874457403 OCWOJKVWYWYSGX-MFKUBSTISA-N 440.016 5.830 30 10 IKEE COc1cc(/C=N/n2c(SCc3cccc(F)c3)nnc2C2CCC2)cc(Cl)c1O 1874494509 PYACUUHPXKHIBZ-BHGWPJFGSA-N 446.935 5.227 30 10 IKEE C=CCSc1nnc(CC)n1/N=C/c1ccc(OCc2ccc(C)cc2)c(OCC)c1 1874525987 NMPKKVUBYAWTNM-PCLIKHOPSA-N 436.581 5.287 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1cc(Cl)ccc1O 1874528270 ZSKNABIKKALWFW-LSFURLLWSA-N 441.771 5.681 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(Cl)c(Cl)c1 1874529273 ZXZYPKKBGOFZEK-NUGSKGIGSA-N 443.762 6.114 30 10 IKEE CCOC(=O)c1ccc(COc2ccccc2/C=C/C(=O)c2ccc(C(C)(C)C)cc2)o1 1874581724 CPBGNZYXRAGRCL-FOWTUZBSSA-N 432.516 6.229 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cc(Br)ccc2OCCc2ccccc2)c(C)c1 1874590005 NRPGCPMNSUHXHA-PKNBQFBNSA-N 449.388 6.892 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OCc3nc(O)c4ccccc4n3)c2)cc1 1874596099 NATZNKGURQXYOM-XNTDXEJSSA-N 440.499 5.599 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)c(Br)c1OCCCO 1874599228 BEUUMPRPBCPIIH-VQHVLOKHSA-N 447.369 5.349 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)OCC(C)C)c(Br)c2)cc1 1874604560 UGURJYQAKOMXQR-YRNVUSSQSA-N 445.353 5.486 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1 1874605778 FWSFPPCCCWUDPD-MDWZMJQESA-N 440.326 6.215 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc(Cl)c2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 1874611036 YMMIFEJCUUSCTO-ONNFQVAWSA-N 428.271 6.377 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3C)c(Cl)c2)cc1 1874613695 IHUHMLRIISXETF-RIYZIHGNSA-N 449.934 5.961 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3cccc(C)c3)c(OC)c2)cc1 1874616446 AESYNDBHZBBEAM-NTEUORMPSA-N 446.543 6.276 30 10 IKEE Cc1cccc(COc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2Br)c1 1874617529 GNPACOHWGNOZAJ-DHZHZOJOSA-N 435.361 6.849 30 10 IKEE C=CCOc1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1Br 1874627898 BRIQZFZQNGWUSO-RIYZIHGNSA-N 435.317 6.702 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c1C 1874629313 WWFAZVJZZGAEFE-XYOKQWHBSA-N 439.382 7.702 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3cccs3)c2)cc1 1874695509 FRRNTOZPTMXFKT-GXDHUFHOSA-N 434.557 6.144 30 10 IKEE COc1ccccc1CC(=O)Oc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC 1874701016 XNAHIMBSHXDRLX-NTUHNPAUSA-N 436.891 5.401 30 10 IKEE COc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3cc(C(C)C)c(OC)cc3C)c2)cc1 1874711003 OFOFKCSSBRGJQI-NTEUORMPSA-N 444.527 6.251 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3c(C)cccc3C)c2)c(C)c1C 1874712431 XEANHWFJHZTVOH-WYMLVPIESA-N 444.527 5.809 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)C3CCCC3)c2)c(OCC)c1 1874714583 DBRVWHZPMJPASY-GXDHUFHOSA-N 438.520 5.484 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 1875085204 UNIMJJVOECYCPH-OQLLNIDSSA-N 431.444 5.038 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)ccc1OC(=O)[C@@H](C)c1ccccc1 1875103457 ZQPSKCCEKHCRJY-NXNYUAIASA-N 428.528 6.253 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)CC1CCCCC1 1875131067 GQWJZCNGTDFJLS-ZRDIBKRKSA-N 440.967 6.737 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3ccncc3)c(OC)c2)cc1 1875137356 IRZRLGOQDVRFRH-BJMVGYQFSA-N 447.487 5.003 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(C)c3)cc2)c1 1875140877 CETDXQOPAUDTCZ-WUXMJOGZSA-N 434.463 5.196 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)[C@@H](C)c2ccccc2)c(Cl)c1 1875143013 FELIEUUCXNDMAP-KSEUIEODSA-N 434.919 6.262 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1ccc(F)cc1 1875163793 DDAQOSIIQIQIRL-QDEBKDIKSA-N 426.390 5.618 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(C)c3C)cc2OC)cc1 1875167511 CFVXXGJDNQRJAM-NTEUORMPSA-N 444.527 5.998 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)ccc1OC(=O)c1ccncc1 1875181813 YSDHATDPRRODME-GQCTYLIASA-N 437.879 5.176 30 10 IKEE CC#CCCC[C@@H](NCCC)c1cc(I)ccc1Br 1879648684 XTIRJPHZYXCIRE-MRXNPFEDSA-N 434.159 5.288 30 10 IKEE CCN(CC)c1cccc(OCC#CCNC(=O)c2ccc(-c3cccc(F)c3)cc2)c1 1891695019 SVIARJXVHZOFJL-UHFFFAOYSA-N 430.523 5.151 30 10 IKEE C=C1C[C@@H]1CSC(C)(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1892320507 HDVSCNCOWTYTPX-ZHRRBRCNSA-N 437.561 5.066 30 10 IKEE CCC[C@@H](CS)CSc1cc(I)ccc1Br 1900791295 HGJYUWUDMFGXSL-VIFPVBQESA-N 431.202 5.492 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](CC(C)(F)F)NC(=O)OC(C)(C)C 1924653324 MHCAQWMJIDFDDC-WOJBJXKFSA-N 426.548 5.066 30 10 IKEE CC(C)[C@@H]1C[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)CN1Cc1ccccc1 1928646821 WBURDEUBNRHRGD-IGKIAQTJSA-N 433.596 5.617 30 10 IKEE C[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1938773624 VMCYBDOUQCSDNS-NYHFZMIOSA-N 435.952 5.373 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@H]2[C@H]1CCN2C(=O)OC(C)(C)C 1949112058 PWIMRFQOTAVEKK-VUMVONDWSA-N 427.545 5.028 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CC[C@H]2NC(=O)OCc2ccccc2)cc1 1959030071 JLEZZFOBLBYNDS-PXDATVDWSA-N 435.524 5.088 30 10 IKEE CC(C)(C)OC(=O)NC1CC2(C1)CC(C#N)(N(C(=O)OC(C)(C)C)c1ccccc1)C2 2007655879 HPTSGAMGZTXFAX-UHFFFAOYSA-N 427.545 5.158 30 10 IKEE CC[C@@H]1CC=C(C(=O)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)CC1 2010742150 GXCZTWWCZZBVHC-FQRUVTKNSA-N 427.585 5.536 30 10 IKEE CC[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2014644656 JJYSOIRVODFTQO-FDDCHVKYSA-N 433.524 5.249 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)C1(NC(=O)OC(C)(C)C)CCC(C)CC1 2018514997 KSYORRLTKAYEPK-FUBUYXNDSA-N 430.633 5.601 30 10 IKEE N#Cc1ccccc1Nc1cc(Br)c(Br)c(Br)c1 2034335786 VIIORRHOPKRZES-UHFFFAOYSA-N 430.925 5.589 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(Cc3ccccc3)CC2(C)C)cc1 2037430925 JJSFWZPZDSTONN-MHZLTWQESA-N 433.596 5.931 30 10 IKEE Cc1nnc(CN(C)[C@@]2(c3ccccc3Cl)CCCC(=Cc3cccs3)C2=O)o1 2053631295 GNHGWRVSQOLAEJ-JOCHJYFZSA-N 427.957 5.257 30 10 IKEE CC(C)[C@@H]1CC=C(C(=O)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)CC1 2061189535 OLMRXYDEWZSIDG-AMGIVPHBSA-N 441.612 5.782 30 10 IKEE C[C@@H](c1ccc(C2CCC2)cc1)n1nc(C(F)F)c(C=NO)c1I 2080026724 YPTDIOYZQOGXRL-JTQLQIEISA-N 445.251 5.110 30 10 IKEE N#C[C@H](C(=O)CSCc1ccccc1)c1nc(-c2ccccc2)c(-c2ccccc2)s1 2084272946 AYVPQVVDCWNHSZ-JOCHJYFZSA-N 440.593 6.587 30 10 IKEE CC(C)(C)[C@@H]1CSC(=Nc2ccc(Cl)c(I)c2Cl)N1 2093947950 MZPUTWLAMRQDDT-VIFPVBQESA-N 429.154 5.337 30 10 IKEE Cc1ccc(NC(=O)OC(C)(C)C)cc1NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2094850244 WGPLUPMUYHGTGJ-UHFFFAOYSA-N 438.377 5.253 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1ncoc1C(F)F 2111566594 OBFXSGWRJXSQKW-GFCCVEGCSA-N 428.233 5.381 30 10 IKEE N#Cc1cc(F)c(N[C@H]2CN(Cc3ccccc3)CC3(CCC3)C2)cc1Br 2151117530 JCSMSEQWPCVWKH-GOSISDBHSA-N 428.349 5.317 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](CNc1cc(Br)c(C#N)cc1F)C2 2162288090 NGPGLHALPMQAJK-YOWGUQMCSA-N 438.341 5.050 30 10 IKEE CC(C)(C)OC(=O)NCc1ccc(Nc2ccc(C#N)c(Br)c2F)cc1F 2162317058 WEWWMMYNKPBWIX-UHFFFAOYSA-N 438.272 5.367 30 10 IKEE CCCCCCC[C@H](O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229102397 WTVOVHCXSAUMCF-MOPGFXCFSA-N 428.411 5.606 30 10 IKEE CN(C(=O)OC(C)(C)C)C1(C[C@@H](N)C#Cc2ccccc2Br)CCCCC1 2235748241 XSTLHKXAXIPQOR-SFHVURJKSA-N 435.406 5.088 30 10 IKEE C=C(Cl)COC(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2241637663 NKLYHFJJZHXXED-JOCHJYFZSA-N 427.928 5.236 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1sc(Br)c(C)c1C 2254707550 XMRCPJONXIPVPP-HUUCEWRRSA-N 431.440 5.638 30 10 IKEE C=CCCC1([C@@H](NC)c2ccc(Br)cc2Cl)CN(C(=O)OC(C)(C)C)C1 2266299414 NPKLMOCDDJCRAB-KRWDZBQOSA-N 443.813 5.566 30 10 IKEE N[C@H](C#Cc1cccc(Br)c1)c1cc(Br)cc(Br)c1 2278808407 ARANHQHOMAZMOJ-OAHLLOKOSA-N 443.964 5.026 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(F)cc(Br)c1F 2288344020 FGRKFSOFJIJTIZ-WMZOPIPTSA-N 445.348 5.075 30 10 IKEE Cc1ccc(-n2cc(C=NNC(=S)Nc3ccc(C)c(C)c3)c(-c3ccccc3)n2)cc1 2296405119 NJGBLJKBXFHVLV-UHFFFAOYSA-N 439.588 5.785 30 10 IKEE C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)C(=Cc3cccc(Cl)c3Cl)C[C@H]12 2297480271 YGBQOUNQDOEMKJ-AUJNMLBLSA-N 445.430 6.880 30 10 IKEE O=C1NC(=Nc2ccccc2Cl)SC1=Cc1cc([N+](=O)[O-])ccc1N1CCCCC1 2297560268 JSFOSVVHBVNLMZ-UHFFFAOYSA-N 442.928 5.130 30 10 IKEE O=C1NC(=Nc2ccc(Cl)cc2)C(=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)S1 2314482412 KMKKCKFHTIMGAQ-UHFFFAOYSA-N 448.853 7.146 30 10 IKEE O=C1C(=Cc2cccc(Br)c2)SC(=Nc2cccnc2)N1C1CCCCC1 2314540680 VYJFOKWVZZBYSG-UHFFFAOYSA-N 442.382 5.781 30 10 IKEE N#Cc1ccc(Oc2cc(Br)cc(Br)c2)cc1Br 2316830504 HAFKWVYIQUYKBL-UHFFFAOYSA-N 431.909 5.638 30 10 IKEE Cc1cccc(CSc2nnc(C)n2N=Cc2c(Cl)ccc(Cl)c2Cl)c1 2318574127 FGSWZXTUOUWCGW-UHFFFAOYSA-N 425.772 6.030 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc4c3CN(Cc3cccc(C(F)(F)F)c3)CO4)C2=O)o1 2321908574 KTGJUJXCVKHYCW-UHFFFAOYSA-N 441.405 5.575 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc3c2CN(Cc2cc(C)ccc2C)CO3)C1=O 2322170875 WXIQKFMNTSIXKR-UHFFFAOYSA-N 427.500 5.280 30 10 IKEE CCc1ccc([C@@H](C)N2COc3ccc4c(c3C2)OC(=Cc2cccc(C)c2)C4=O)cc1 2322260228 ZKXGAPCXXIJZIR-LJQANCHMSA-N 425.528 6.087 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(C(C)C)cc1)C3=O)CN([C@@H]1CCCC[C@@H]1C)CO2 2322391791 LCRIFPUGZIUUFC-MHECFPHRSA-N 431.576 6.465 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)c1OCc1ccc(F)cc1 2322586001 VMGNUYSJUHNPBB-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(Br)cc(Br)c1OC 2322642108 QVDSVOXGVDEFPJ-UHFFFAOYSA-N 440.131 5.433 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCCc3ccccc3)ccc3ccccc23)cc1F 2322708387 JYHORGVLBJTJJN-UHFFFAOYSA-N 426.487 6.505 30 10 IKEE COC(=O)c1ccc(COc2ccc(Cl)cc2C=CC(=O)c2ccc(F)c(F)c2)o1 2322781761 PBZLHGRLKYZZNY-UHFFFAOYSA-N 432.806 5.473 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2cc(C)cc(C)c2)cc1Cl 2322974799 AGVXLJVQVDIBOA-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCCCCCCCCOc1ccc(C=NNC(=S)Nc2ccccc2)cc1OC 2323047411 BQKRKMHCGCFSNI-UHFFFAOYSA-N 427.614 6.145 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3ccccc3F)c2)cc1 2323063338 BJPPLUZWKRFIIR-UHFFFAOYSA-N 433.479 5.310 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3ccc(F)cc3)c2)cc1 2323134725 QZSYOZKGOGAFDE-UHFFFAOYSA-N 449.478 5.147 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OCC(=O)N[C@@H](C)c1ccccc1 2323138689 DJAQJYMNTWWYRY-NRFANRHFSA-N 443.543 5.464 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O)c1ccc(Cl)c(Cl)c1 2323259010 QYEIUQQTLHRLQP-UHFFFAOYSA-N 429.230 5.968 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(OC)c1OCc1ccccc1F 2323395964 CMRISALMLSCOMD-UHFFFAOYSA-N 442.486 6.471 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cc(C)cc(C)c3)c(Cl)c2)cc1 2323464929 GJAMUXIWSUZLQG-UHFFFAOYSA-N 447.962 6.433 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1 2323678236 QQMMZAFKMFKCKT-UHFFFAOYSA-N 437.879 6.122 30 10 IKEE Cc1cc(OC(=O)C=Cc2ccccc2)cc2c1C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)O2 2323745211 LWKBWVVARGGQJD-UHFFFAOYSA-N 427.412 5.138 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OCC(=O)N[C@@H](C)c1ccccc1 2323915071 IDXSJWHOUIXTQK-NRFANRHFSA-N 443.543 5.546 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OCc1ccc(Cl)cc1 2323917523 YDSUTCBYNIBPKN-UHFFFAOYSA-N 432.947 6.861 30 10 IKEE CCCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1 2323936723 DGEJYUHRQIONQR-UHFFFAOYSA-N 446.430 5.367 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Cl)c1OCC(=O)OCC(C)C 2323937469 UPJQUCFUDZZTDT-UHFFFAOYSA-N 430.928 5.440 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3F)c([N+](=O)[O-])c2)c1 2323949620 WTJFMUBPDYPKDP-UHFFFAOYSA-N 448.450 5.264 30 10 IKEE C=CCOc1c(OCC)cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc1[N+](=O)[O-] 2324224442 JQKUSMLSQWDHHK-UHFFFAOYSA-N 439.508 5.761 30 10 IKEE CC(C)(C)c1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 2324352066 FHRYRHQMVQPROG-XMMPIXPASA-N 436.580 7.150 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccco2)C3=O)cc1Cl 2324353775 ODGZSPZVCKMHMF-HNNXBMFYSA-N 437.879 5.572 30 10 IKEE COc1cccc(C=C2Oc3cc(OCCCOc4cccc(C)c4)cc(C)c3C2=O)c1 2324563639 ACWUADMQWDOKDZ-UHFFFAOYSA-N 430.500 5.776 30 10 IKEE CCc1ccc(OCCCOc2cc(C)c3c(c2)OC(=Cc2ccccc2F)C3=O)cc1 2324662279 OHPYXFMCIMBUGR-UHFFFAOYSA-N 432.491 6.161 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCc4cccc(Oc5ccccc5)c4)ccc3C2=O)cc1 2325346242 BVZBLYKGLSLHPD-UHFFFAOYSA-N 448.518 7.237 30 10 IKEE Cc1ccc(CCOc2ccc3c(c2C)OC(=Cc2ccc(-c4ccccc4)cc2)C3=O)cc1 2325369998 ZWQVZDJKGURAKE-UHFFFAOYSA-N 446.546 7.208 30 10 IKEE Clc1cccc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccccn2)c1 2325467360 HKJWSBPBIUGMJV-UHFFFAOYSA-N 433.968 5.286 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1OC(=O)c1ccc([N+](=O)[O-])cc1 2325727226 BBYJAJBRZZRDDM-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cccc(OC(=O)c3ccc(Cl)c(Cl)c3)c2)c1 2325740332 BDHXOGAWOMARCI-UHFFFAOYSA-N 425.311 6.726 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)Cc2cc(C)ccc2C)c1 2325781681 DBMQCZZWXKTORL-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE CCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1c(Cl)cccc1Cl 2326327812 IILYGDIMRCADEH-UHFFFAOYSA-N 447.435 6.619 30 10 IKEE CCc1nnc(SCc2ccc(Br)cc2)n1N=Cc1cccc(Cl)c1 2326619583 OIYNCSBCIAPZLC-UHFFFAOYSA-N 435.778 5.431 30 10 IKEE C=C(C)CSc1nnc(CCOc2ccccc2)n1N=Cc1ccc(OCCC)cc1 2329189929 REIHLAOANRUPJC-UHFFFAOYSA-N 436.581 5.239 30 10 IKEE Clc1ccc(CSc2nnc(COCc3ccccc3)n2N=Cc2cccnc2)cc1 2329360982 JZUUFOGVSFTPER-UHFFFAOYSA-N 449.967 5.218 30 10 IKEE CSc1nnc(Cc2ccc(F)cc2)n1N=Cc1cccc(OCc2ccccc2)c1 2329791862 KMADASIPLJUCBQ-UHFFFAOYSA-N 432.524 5.191 30 10 IKEE CCc1ccc(C=Nn2c(Cc3cccs3)nnc2SCc2cccc(C)c2)cc1 2330344909 CKJMHWRZWZLKDO-UHFFFAOYSA-N 432.618 5.976 30 10 IKEE C(=Nn1c(Cc2cccs2)nnc1SCc1cccc2ccccc12)c1ccco1 2330422226 IEPYMVUFCPKBSL-UHFFFAOYSA-N 430.558 5.851 30 10 IKEE Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cccs2)n1N=Cc1ccccc1 2330576154 IINMKDSPOHJGFK-UHFFFAOYSA-N 447.589 5.236 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3cc4ccccc4n3C)c(Cl)c2)c1 2330782978 JUPDTKSCMZCBCL-UHFFFAOYSA-N 445.902 5.956 30 10 IKEE Cc1ccc(CSc2nnc(CC(C)(C)C)n2N=Cc2ccc(Cl)c(Cl)c2)cc1 2330802128 BCNHKMZPBIIRTA-UHFFFAOYSA-N 447.435 6.656 30 10 IKEE COc1cccc(C=Nn2c(CC(C)(C)C)nnc2SCc2cccc(C)c2)c1OC 2330821330 VVFBNFHGUCWQPM-UHFFFAOYSA-N 438.597 5.367 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccnc3)c([N+](=O)[O-])c2)cc1 2330833412 LWQBSFDFJKRLGE-UHFFFAOYSA-N 430.460 5.448 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(Br)cc3)cc2)cc1C 2330884150 BLTLVTWXGNDTDL-UHFFFAOYSA-N 435.317 6.181 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OCC 2331231710 RSTDBWJPNDEBDG-UHFFFAOYSA-N 436.592 7.254 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc4ccccc4n3C)c([N+](=O)[O-])c2)cc1 2331276386 PLYQMIMJPKQGKR-UHFFFAOYSA-N 440.455 5.510 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCc3ccccc3C)nnc2C(C)(C)C)cc1 2331366299 LRYJWZPUJLOSTM-UHFFFAOYSA-N 435.641 5.905 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2ccc(C(C)C)cc2)cc1 2331382648 RNZXHKONJXPFBP-UHFFFAOYSA-N 449.624 5.620 30 10 IKEE CC(C)(C)c1nnc(SCc2ccccc2F)n1N=Cc1c(Cl)cccc1Cl 2331396774 CMZOGEKRBHVNMB-UHFFFAOYSA-N 437.371 6.196 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2)cc1 2331512428 GJWOPBYVRKZMIC-UHFFFAOYSA-N 432.491 6.049 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)CCc2ccccc2C)cc1 2331753538 HCNVPAHJBQWRQI-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 2331786980 NXPCYGNWLKYBPH-UHFFFAOYSA-N 443.499 6.316 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)c2cccs2)c([N+](=O)[O-])c1 2331794832 RKROYKRJUPXAEN-UHFFFAOYSA-N 449.528 6.378 30 10 IKEE CC#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C 2333111992 LJUSMSPTDKGAFT-GOTWXUNHSA-N 445.647 5.732 30 10 IKEE Cc1cc(Br)ccc1Sc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2339382240 XWUNBHZCWHXFRD-UHFFFAOYSA-N 440.599 5.256 30 10 IKEE Cc1cc(CNc2ccccc2NC(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2343648788 WNHKSJQMOACWBB-UHFFFAOYSA-N 438.377 5.253 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(C)c(C)c(Br)c(C)c1C 2345959294 WQACETKWRBHDOJ-APWZRJJASA-N 425.411 5.413 30 10 IKEE CC1(C)OB(c2ccc(CSC3CC(C(F)F)C3)cc2Br)OC1(C)C 2349826809 ATKSOTMNNGZKRL-UHFFFAOYSA-N 433.167 5.025 30 10 IKEE CCCCCCCC[C@@H](NCC)c1cc(Br)ccc1OCc1ccccc1 2361177900 ZCTGOXYNFTUAQL-HSZRJFAPSA-N 432.446 7.429 30 10 IKEE CC[C@H](N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363832936 XHDYRBQXBSARIX-MZBJOSPHSA-N 448.460 5.080 30 10 IKEE Cc1ccc(C(=O)C2=C(N)N(c3ccccc3)C3=C(C(=O)CCC3)[C@@H]2c2ccccc2)cc1 2151252 OOGDDBUSRLZRGE-VWLOTQADSA-N 434.539 5.659 30 10 IKEE COc1cccc(COc2ccc(Cl)cc2/N=C\c2cc(Cl)cc(Cl)c2O)c1 3672349 KJVJXNVYPDUQLS-GATIEOLUSA-N 436.722 6.691 30 10 IKEE C/C(=C\CC1=CC(=O)c2ccccc2C1=O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C 4654842 UDYIPZFWVJJQJF-NTLDRPODSA-N 436.680 8.768 30 10 IKEE endogenous,in-man CCNc1ccc(Br)cc(C(=O)/C=C/c2ccc(Cl)cc2Cl)c1=O 8398043 QMPHFJISGJQSPF-XBXARRHUSA-N 427.125 5.444 30 10 IKEE C=CCn1c(S[C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccccc1OC 10230425 OUIWDUQTDXQKOI-CYBMUJFWSA-N 446.935 5.052 30 10 IKEE CCOc1cc(/C=C2\S/C(=N\c3cccc4ccccc34)NC2=O)ccc1OCC#N 13914571 CTBREISQLLCNPM-JCMHNJIXSA-N 429.501 5.032 30 10 IKEE O=C1CCCC2=C1[C@H](c1c[nH]c3ccccc13)Nc1ccc(C(=O)c3ccccc3)cc1N2 15821837 RKJBXHXTLVMNQI-MHZLTWQESA-N 433.511 5.985 30 10 IKEE O=C1CCCC2=C1[C@H](c1cccc3ccccc13)n1nc(SCc3ccccc3)nc1N2 17102627 WCWWSBMQHOOOKZ-DEOSSOPVSA-N 438.556 5.746 30 10 IKEE CCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccc(OC)c2)C3)cc1 21230775 SCLZYVNLKPVKSU-WTYVLRPYSA-N 440.543 6.073 30 10 IKEE CCCCOc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(C(C)(C)C)cc1)C2 21254794 NENWTTQSCSQNIX-NZQKXSOJSA-N 445.603 6.167 30 10 IKEE Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)S2)c(C)c1 33301500 IWXOANAZMTURTK-MTJSOVHGSA-N 433.489 5.672 30 10 IKEE COc1ccc(/C=C2/Oc3cc(OC(=O)c4ccccc4Cl)ccc3C2=O)cc1OC 33690030 WGQLEMLRIHKREA-WSDLNYQXSA-N 436.847 5.193 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C(=O)/C=C/c3ccc(C(C)C)cc3)cc2)cc1OC 34954125 MHFGVUWYQLBCNG-VIZOYTHASA-N 430.500 5.943 30 10 IKEE C=CCOc1ccc([C@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2Cc2ccco2)cc1 38592561 IPLGWAAVVHIGEC-DEOSSOPVSA-N 441.483 5.313 30 10 IKEE COc1ccc(CCn2c(O)c(/N=N/c3ccc(C)c(Cl)c3)c(C)c(C#N)c2=O)cc1 39871054 PGGNOINKSKPEBC-CYYJNZCTSA-N 436.899 5.363 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCCC)c2)[C@@H]1c1ccc(OCC)cc1 40101469 CCGIGUIVIPCPMY-QHCPKHFHSA-N 437.536 5.253 30 10 IKEE CCCOc1ccc([C@@H]2C(C(C)=O)=C(C)Nc3nc(SCc4ccccc4)nn32)cc1 54642190 SXAUMEGLHORWBY-JOCHJYFZSA-N 434.565 5.237 30 10 IKEE O=C1CCCC2=C1[C@@H](c1c[nH]c3ccccc13)n1nc(SCc3ccccc3F)nc1N2 54643137 VRCNZXHTZFMNPU-JOCHJYFZSA-N 445.523 5.213 30 10 IKEE Cc1ccc(NC(=O)c2cnn3c2NC2=C(C(=O)CCC2)[C@H]3c2cccc(Cl)c2)cc1 64874116 CSJKXBYZKGQKTB-JOCHJYFZSA-N 432.911 5.119 30 10 IKEE CCCCCCCOc1ccc(NCC(=O)Nc2cccc(NC(=O)CCC)c2)cc1 100077630 AWLFMGJHTXNSJF-UHFFFAOYSA-N 425.573 5.825 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)S/C1=N/c1cccnc1Cl 101126223 GTDRMWCXACMAHA-NATJXCGNSA-N 430.316 5.882 30 10 IKEE CCN1C(=O)/C(=C(\C)c2cccc(OC)c2)S/C1=N/c1nc(-c2ccccc2)cs1 101130414 RRSSBKOYNRTPMJ-UTYGHKOPSA-N 435.574 5.833 30 10 IKEE C=CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2OCc2ccc(Cl)cc2)SC1=S 101391949 RATOWRWPHQWHRD-WOJGMQOQSA-N 446.937 5.214 30 10 IKEE CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N/c1ccc2ccccc2c1 107342431 AFAIMFKUBBKBTB-DIQLGICBSA-N 431.586 6.224 30 10 IKEE Brc1cc(Br)c(NCC#Cc2ccccc2)c(Br)c1 110161232 OHBFBVAMBXRHQH-UHFFFAOYSA-N 443.964 5.438 30 10 IKEE CCN(CC)c1ccc(/C=C2\CC/C(=C\c3ccc(N(CC)CC)cc3C)C2=O)c(C)c1 116118720 MNKXKHNBVFVMKW-FQHZWJPGSA-N 430.636 6.826 30 10 IKEE C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@H]1C/C(=C/c1cccc(Cl)c1Cl)C2=O 118919578 ANTLLZHQDMIOLB-XAFGOKJUSA-N 447.446 6.959 30 10 IKEE COc1cc(/C=N\Nc2nc3cc(C)ccc3[nH]2)cc([N+](=O)[O-])c1OCc1ccccc1C 169893420 FMVRURIVQCFFAH-MXAYSNPKSA-N 445.479 5.122 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccccc2OC)cc1 169942254 ILYPIKOJIUZUBM-XMMPIXPASA-N 445.490 5.488 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2cccc(C)c2)c1 169971573 JCXWRYFMCMKJHZ-HSZRJFAPSA-N 449.453 5.455 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(Cl)c2)[C@@H]1c1ccccn1 169996511 GYEBASXKHPCZPK-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2cccc(C)c2)c1 170035831 YGFGAOUUTHHVNO-DEOSSOPVSA-N 427.500 5.485 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2ccccc2)cc1 170113619 KBOUEKYNLXKBAV-RUZDIDTESA-N 435.479 5.631 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(OC)cc2)cc1C 170114863 GSMZTDQINNDTLR-XMMPIXPASA-N 449.547 5.313 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(OC)c(OCC)c1 170127784 MRKDEXJZWYJGRY-XMMPIXPASA-N 445.515 5.235 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(N(CC)CC)cc1 170138730 YNIOYDRLLOEVST-NRFANRHFSA-N 426.944 5.175 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccc(C)c2)c1 170141967 VPHXLAFGZHJPPO-XMMPIXPASA-N 427.500 5.485 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2cccs2)cc1C 170157957 CFHGNJJCXBIVJD-HSZRJFAPSA-N 447.556 5.935 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccccn1 170179386 QUGUZCOHBARBQT-HSZRJFAPSA-N 432.564 5.599 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1ccccc1)c1c[nH]c2ccccc12 170229358 JIAUXTJWPSSAGW-JOCHJYFZSA-N 430.410 5.229 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(F)cc2)c1 170242206 WEKOEIDRWONHTQ-HSZRJFAPSA-N 437.511 5.524 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccccc1F 170249740 IRUUVRQXYYWRNX-DEOSSOPVSA-N 445.490 5.704 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1c[nH]c2ccccc12 170256065 XRPPNWMOZQEZAX-VWLOTQADSA-N 438.527 6.090 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(OC)c3)=C(O)C(=O)N2c2ccccc2)cc1 170265325 SXTUCCPKMLJKCG-HSZRJFAPSA-N 447.918 5.694 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2C)cc1C 170272628 FFLFMFMMAQNEFC-VWLOTQADSA-N 441.527 5.712 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccco2)cc1 170285013 ATCTWXWBOYWHIL-QHCPKHFHSA-N 431.488 5.468 30 10 IKEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(Cl)cc4)[C@@H]3c3ccco3)ccc2O1 170286744 FLPMSBCKUPPCNH-LRTDBIEQSA-N 435.863 5.039 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccc(C)o2)c1 170302333 QREDDEASNJOSFQ-XMMPIXPASA-N 445.515 5.777 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@@H]1c1sccc1C 170315605 OACROMNTBLEFIG-OAQYLSRUSA-N 431.513 5.083 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C2CCCC2)cc1O 170322838 QZAXQCXLUQROBW-DEOSSOPVSA-N 443.499 5.075 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccncc2)=C(O)C(=O)N1c1cccc(C(F)(F)F)c1 170406112 JCIUXTQCXLQGAX-KRWDZBQOSA-N 444.434 5.253 30 10 IKEE Cc1cccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2nc3c(F)cc(F)cc3s2)c1 170461763 MJEAIWXWISKHSN-FQEVSTJZSA-N 442.487 5.398 30 10 IKEE C=CCn1cc(/C=C2/SC(=Nc3ccc(C(=O)OC)cc3)N(CC)C2=O)c2ccccc21 252602758 FKXSELWWZVAVTQ-XKEFNESHSA-N 445.544 5.238 30 10 IKEE Oc1ccc(Br)cc1C=NNc1nnc(-c2ccccc2)c(-c2ccccc2)n1 252628152 SJJRXZMXRBDOLO-UHFFFAOYSA-N 446.308 5.120 30 10 IKEE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)C)cc2)SC1=Nc1c(C)cccc1C 252628938 TVEUZCVLQJDPAK-OAQYLSRUSA-N 435.593 5.573 30 10 IKEE CCc1ccc(N=C2S/C(=C\c3cccc(O)c3)C(=O)N2c2ccc(CC)cc2)cc1 252629578 UJJWFTAXTQKUBM-SIFMURAYSA-N 428.557 6.326 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1ccc2ccccc2c1 253561683 CJNVGPYLMSNJPK-UHFFFAOYSA-N 442.544 5.218 30 10 IKEE COc1ccc(/C=C2/SC(=Nc3ccccc3)N(Cc3ccc(C(=O)O)cc3)C2=O)cc1 254289881 LSXATXKKAPZBLS-XKEFNESHSA-N 444.512 5.198 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@H]2c2c[nH]c3ccccc23)cc1 526488432 OMTRTRDVFIYZDN-HSZRJFAPSA-N 425.875 5.750 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(O)c(Cl)c2)cc1 526603190 JVKWZIVVNGSAFB-QHCPKHFHSA-N 446.890 5.373 30 10 IKEE Cc1cc(Cl)ccc1NC1=C(Sc2ccccc2)C(=O)N(c2ccccc2C#N)C1=O 526636906 MOUDCCVOHJCZLJ-UHFFFAOYSA-N 445.931 5.509 30 10 IKEE Cc1ccc(CSc2nnc(C)n2/N=C\c2ccc(OC(C)C)c(Cl)c2)c(C)c1 526810696 IEAFYVAMDCDLKW-MSXFZWOLSA-N 428.989 5.818 30 10 IKEE CCOc1cc(/C=N\n2c(C)nnc2SCc2ccc(Cl)cc2Cl)ccc1O 526823772 SDZROCWGSMYTAN-YVNNLAQVSA-N 437.352 5.172 30 10 IKEE CCCCCCCC[C@H](O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 686843724 FSRIPMHHAQGLMV-DEOSSOPVSA-N 446.676 6.048 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@H](C#N)c1ccc(Cl)c(Br)c1 698453776 GJGGLHWCAOMAJU-QGZVFWFLSA-N 427.770 6.237 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@H](C#N)c1cccc(OCc2ccccc2)c1 698855275 MRXVVCNBZHHVQQ-VWLOTQADSA-N 434.580 6.790 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@H](C#N)c1ccc(Cl)cc1Br 698963286 CWVFOQKVOTUDMW-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE CCCCCCCCC[C@@H](NCC)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 702480878 JRLVMOZMIRXEIH-JWQCQUIFSA-N 447.708 6.131 30 10 IKEE CCCCCCCCC[C@H](NCC)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 707888015 ZARDKZXSOOQKKK-HVCNVCAESA-N 448.692 6.604 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 724064347 OOOPHCDRVSVLNJ-YADARESESA-N 429.561 5.011 30 10 IKEE COc1ccc(C(C)=NNP2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)cc1 886012266 KFHQRAZTNBIVLE-UHFFFAOYSA-N 430.444 6.314 30 10 IKEE COc1ccc(C=NNc2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)cc1OC 1084367588 LISPQRKPULCXFS-UHFFFAOYSA-N 429.545 6.249 30 10 IKEE Fc1ccc(NC(=S)N/N=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 1857810989 GSRJDAHNOOYTOB-WGARJPEWSA-N 449.942 5.652 30 10 IKEE N#Cc1ccccc1NC(=O)c1cccc(NC(=O)c2c(Cl)ccc(Cl)c2Cl)c1 1860861084 YZSZTVZZXBUSJS-UHFFFAOYSA-N 444.705 6.023 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCSC)NC(=O)c1cccc2ccccc12 1861727991 UUGGMLJLHOWQDS-DEOSSOPVSA-N 442.669 5.948 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccccc2)cc1 1862387120 DLGNAQWMTJIZMK-IBVKSMDESA-N 439.555 6.369 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 1862392776 GGWQFHYIFREKNP-AOMKIAJQSA-N 436.508 5.314 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccccc1Br 1862440409 XJSWVIDJDCJDLS-QGZVFWFLSA-N 434.717 5.091 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(Cl)cc1 1862470747 VLGWXHIXRJNOGT-XIKOKIGWSA-N 448.744 5.479 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1Cl 1862476609 MDZUAMIQGMJWCV-CVDCTZTESA-N 439.983 6.586 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc(Cl)cc2Cl)c1 1862498637 MQVMENCMFZGBRB-HXUWFJFHSA-N 432.347 5.845 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2cccc3ccccc23)ccc1F 1862504751 BNEBFUHIMAHYSW-XMMPIXPASA-N 447.506 5.291 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccccc2C)ccc1F 1862506941 CGEQKYMOCWXGRG-XMMPIXPASA-N 429.491 5.264 30 10 IKEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2ccccc2C)cc1 1862589598 OIANXPTZINTGTL-OSPHWJPCSA-N 443.499 5.049 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1cccc(C)c1 1862614005 VLZHMESBIWXHQK-QHCPKHFHSA-N 435.564 5.297 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1cc(Cl)cc(Cl)c1 1862622843 ITCDXUQWUZYTTH-HXUWFJFHSA-N 444.358 6.055 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1ccc(F)cc1 1862638584 FMGZZOSBSFFMFS-NRFANRHFSA-N 429.463 5.132 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C2CC2)cc1 1862658971 WOVGMWYQKWGASD-VWLOTQADSA-N 441.527 5.759 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2cccc(F)c2)cc1 1862663253 PXPZCZQEFKHILT-VWLOTQADSA-N 449.566 6.640 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(C(=O)O)cc1 1862664712 PORNLIUEWYCGHL-JOCHJYFZSA-N 435.520 5.277 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC)cc1OC 1862683705 MKTHJWRRGJJEDP-QFIPXVFZSA-N 441.499 5.002 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCC(C)C)cc1 1862711706 ASGUDDZNTFZCCZ-DEOSSOPVSA-N 429.516 5.473 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccc(Cl)cc3C)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1863029608 QVCSCRNJVFZFGR-UHFFFAOYSA-N 441.918 5.534 30 10 IKEE CCOc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(CCC3=CCCCC3)C2=O)cc1 1863216356 IRHKICDVHOTEKQ-UHFFFAOYSA-N 441.531 5.039 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C)cc2C)=C(c2ccc(F)cc2F)C1=O 1863313711 IYYFMLQSLPNEKN-UHFFFAOYSA-N 440.534 6.134 30 10 IKEE CCc1nc(Nc2ccc(C#N)cc2)cc(N2CCC[C@H]2c2ccc(C(F)(F)F)cc2)n1 1868291232 LVHGTXKZHPGLJL-FQEVSTJZSA-N 437.469 6.015 30 10 IKEE CC(C)(C)c1ccc(-c2nc(Nc3cccc(C#N)c3)cc(N3CCC[C@@H](CO)C3)n2)cc1 1868538813 VLDKSPYHBLOPLX-HXUWFJFHSA-N 441.579 5.265 30 10 IKEE C[C@@H]1COC[C@@H](C)N1c1cc(Nc2ccc(C#N)cc2)nc(-c2ccc(C(C)(C)C)cc2)n1 1868552525 FWFCETLCOYTCIC-RTBURBONSA-N 441.579 5.670 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)CCCCCCCC)n(-c2ccc(OC)cc2)n1 1870001371 BCZLIFUGVMZODH-UHFFFAOYSA-N 425.577 5.143 30 10 IKEE CCCCCCCCCCn1cc(OCCCCC)c(=O)cc1CN1C[C@@H](C)O[C@H](C)C1 1870678569 BYZYHXYSTLLLMM-DNQXCXABSA-N 448.692 6.167 30 10 IKEE CCCCCCCOc1cn(Cc2cccnc2)c(CNc2ccc3[nH]ncc3c2)cc1=O 1870833429 IITIKRXEYVGSLI-UHFFFAOYSA-N 445.567 5.129 30 10 IKEE C=CCn1cc(OCCCOc2ccccc2)c(=O)cc1CNc1cc(Cl)ccc1C 1871085568 ZDCGRZJALFZAAZ-UHFFFAOYSA-N 438.955 5.456 30 10 IKEE C=CCn1cc(OCCCc2ccccc2)c(=O)cc1CNc1ccc(C(C)(C)C)cc1 1871137740 NAFAWLXROVFWQL-UHFFFAOYSA-N 430.592 5.956 30 10 IKEE C[C@@H](c1ccccc1)N1COc2ccc3c(c2C1)O/C(=C\c1ccccc1OC(F)F)C3=O 1871352293 YTUVTYRQGQPUCA-YOBACFSGSA-N 449.453 5.817 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OC(=O)Cc3ccccc3[N+](=O)[O-])cc(C)c2C1=O 1871376798 YSDUEYAOAZQARO-UNOMPAQXSA-N 435.457 5.037 30 10 IKEE Cc1cc(OC(=O)CCc2ccccc2)cc2c1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O2 1871385701 HZXFDEUEXCHMDY-HMAPJEAMSA-N 429.428 5.058 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccc(C)cc4C)ccc3C2=O)cc1 1871411134 KWVJRSURVFQJCB-LPANUZLBSA-N 427.500 5.634 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1 1871411434 NLEQUYDOQMNSHS-QETRNLNESA-N 441.527 5.888 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(O[C@@H](C)C(=O)Nc3ccc(Cl)cc3)c2C)C1=O 1871413987 HERNZXSEZXIPAO-PGECNJAHSA-N 447.918 5.979 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccc(Cl)cc4)cc(C)c3C2=O)cc1 1871414282 LDWINZSKSSUDPE-SUVVMJBMSA-N 447.918 5.979 30 10 IKEE CCCCCCCCCOc1ccc2c(c1C)O/C(=C\c1ccc(N(CC)CC)cc1)C2=O 1871429441 HLOXFCUKJSHJIZ-MEFGMAGPSA-N 449.635 7.587 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)c(F)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872087620 PNTNKSKQDADXBM-FDDCHVKYSA-N 446.588 5.063 30 10 IKEE CC(C)c1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 1872759520 RDSWNQNYGPDSDN-VMMYIZNOSA-N 448.591 7.490 30 10 IKEE COc1ccc(C)cc1-c1csc([C@H](C#N)C(=O)[C@@H](C)Oc2ccc(Cl)cc2)n1 1872770780 FBNCGFMVBCBZHP-RDTXWAMCSA-N 426.925 5.424 30 10 IKEE N#C[C@H](C(=O)C(c1ccccc1)c1ccccc1)c1nc(-c2ccc3c(c2)OCO3)cs1 1872773440 NUMXLGVIEADAQX-HXUWFJFHSA-N 438.508 5.547 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)Cc2ccc(F)c(C)c2)n1 1872777063 FQBKZMFFRFPDEF-IBGZPJMESA-N 436.552 5.983 30 10 IKEE CCCCCCCOc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(C)c(C)c3)n2)cc1 1872777782 WAZGZNFFOBEVJX-XMMPIXPASA-N 446.616 7.266 30 10 IKEE CCCOc1ccc(CC(=O)[C@H](C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1 1872785109 FWLCFEQEHDIRRH-QHCPKHFHSA-N 446.616 6.624 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 1872786515 MEHKHUZCBZOIPX-MRXNPFEDSA-N 441.896 5.487 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc(COc2cccc(-n3cnnn3)c2)cc1 1872858339 DFZGHPSIBKNHIA-UHFFFAOYSA-N 435.572 5.112 30 10 IKEE Cc1nc(SCc2cccc(C(=O)N3CCc4ccccc4C3)c2)c(C#N)c(C)c1C 1872886700 BIBAKJJDCALJGG-UHFFFAOYSA-N 427.573 5.369 30 10 IKEE CCCCCCCCNC1=C(c2c(C)cc(C)cc2C)C(=O)N(CCc2ccccc2)C1=O 1873121142 PJWOWXPGAOJQMB-UHFFFAOYSA-N 446.635 5.885 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccccc2C#N)=C(c2ccccc2)C1=O 1873413134 NKQFEILKTLXNNV-UHFFFAOYSA-N 429.564 5.891 30 10 IKEE COc1cccc(/C=N/Nc2oc(-c3cccs3)nc2C#N)c1OCc1ccccc1F 1873461944 GCPVSJJDQKMKRV-LGJNPRDNSA-N 448.479 5.447 30 10 IKEE COC(=O)c1nc(-c2cccs2)oc1N/N=C/c1ccccc1OCc1ccccc1C 1873464073 WGJYYOURGIRQAU-AFUMVMLFSA-N 447.516 5.523 30 10 IKEE C=CCN(CC=C)c1nc(Nc2ccc(OC(C)C)cc2)c2cnn(-c3ccccc3)c2n1 1873481821 QZBAIQRTXHVPCA-UHFFFAOYSA-N 440.551 5.525 30 10 IKEE COc1ccc2[nH]cc(/C=N/n3c(SCc4ccccc4F)nnc3C(F)(F)F)c2c1 1873503537 NRJFLKUWRPBRFI-NSKAYECMSA-N 449.433 5.100 30 10 IKEE CCCCCCCCCCNC(=O)c1cc2c(N(CCC)CCC)ncnc2n1CCC 1873574879 HUHKYWYOVZKOMN-UHFFFAOYSA-N 443.680 6.338 30 10 IKEE COc1cc(/C=N/Nc2ccnc(Cl)n2)ccc1OCc1ccc(Cl)cc1Cl 1873793108 XDEXBWNKAFNSGD-YSURURNPSA-N 437.714 5.470 30 10 IKEE CCSc1nnc(Cc2ccc(OC)c(OC)c2)n1/N=C/c1cccc2ccccc12 1874238179 VLLVKPHCTASLQO-PCLIKHOPSA-N 432.549 5.034 30 10 IKEE C=CCSc1nnc(CCc2ccc(OC)cc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874307473 ZBYFNTOEHGPQHL-ZVHZXABRSA-N 447.391 5.539 30 10 IKEE Cc1ccccc1/C=N/n1c(CC(C)(C)C)nnc1SCC(=O)Nc1cccc(C)c1C 1874437021 XWVTVAOFNPELGO-CVKSISIWSA-N 449.624 5.405 30 10 IKEE Cc1ccccc1/C=N/n1c(CC(C)(C)C)nnc1SCc1ccc(Cl)cc1Cl 1874440434 ANOFJKOQRXAZIO-DHRITJCHSA-N 447.435 6.656 30 10 IKEE CCSc1nnc(C(C)(C)C)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1874482615 WCFHQSCFEOIPGL-ZVHZXABRSA-N 428.989 5.802 30 10 IKEE CC(C)Cc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(C(C)C)cc1 1874491520 VSEHNIZPXRYGSE-AFUMVMLFSA-N 427.017 6.428 30 10 IKEE COCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1c(F)cccc1Cl 1874506238 TVWMICREUIGETP-LSFURLLWSA-N 425.316 5.045 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1cccc(OC)c1O 1874508798 VUZUSKRULXJIOD-MFKUBSTISA-N 432.549 5.273 30 10 IKEE CCCSc1nnc(C2CC2)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1874520714 MIFVMDJOWHKBBG-ZVHZXABRSA-N 426.973 5.772 30 10 IKEE Sc1nnc(CC2CCCCC2)n1/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 1874560737 NAJKJEBZZVMAJY-MFKUBSTISA-N 441.000 5.804 30 10 IKEE Cc1ccc(Cc2nnc(S)n2/N=C/c2ccccc2OCc2ccccc2C)cc1 1874561254 JZLYMYMHGKUCKS-WGOQTCKBSA-N 428.561 5.236 30 10 IKEE C=CCOc1c(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc(Br)cc1OC 1874573648 YQRBBZHPHOKWHP-QPJJXVBHSA-N 442.136 6.225 30 10 IKEE CCCNC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(OCCC)cc1 1874580011 SWNVACCWPNLBAV-CCEZHUSRSA-N 431.532 5.430 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2c(OCC(=O)Nc3ccccc3)ccc3ccccc23)cc1 1874583669 ZWUYTALOATVILQ-ISLYRVAYSA-N 449.550 6.877 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cc(Cl)ccc2OCCc2ccccc2)cc1C(C)C 1874584871 GTUQIZYUUFCLCI-ZRDIBKRKSA-N 448.990 7.298 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1cc(Cl)ccc1OCCc1ccccc1 1874589006 ORTHDKLAINIBRI-CSKARUKUSA-N 441.354 6.828 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c(Br)c1OCCO 1874595996 DPTPUTBVUUJSCH-ZZXKWVIFSA-N 446.124 5.032 30 10 IKEE CCCOC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc3ccccc3c2)cc1OC 1874602614 VPAXEVIFYHIZNE-DHZHZOJOSA-N 438.907 5.730 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(OC)c1OCc1ccc(C)cc1 1874602843 CCNOCOMHOCIPMN-SAPNQHFASA-N 448.562 7.360 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 1874613051 AAORRMOIRSBGNZ-QDEBKDIKSA-N 428.271 6.377 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)ccc1OCc1cccc(Cl)c1 1874622041 IWOBOQPHIWTLRZ-VMPITWQZSA-N 436.891 5.595 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OCCCO)c(OCC)c2)cc1 1874624430 CWOQVQRHOPQLTK-MHWRWJLKSA-N 440.580 6.092 30 10 IKEE O=C(Cc1cc(Cl)ccc1Cl)Oc1cccc(/C=C/C(=O)c2cccc(Cl)c2)c1 1874699224 KLQITJPAWNPNTG-JXMROGBWSA-N 445.729 6.691 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OC(=O)Cc1ccccc1Cl 1874703273 IBQCFERLEHAPGW-ZRDIBKRKSA-N 434.919 6.010 30 10 IKEE O=C(COc1ccc(Cl)cc1)Oc1cccc(/C=C/C(=O)c2cccc3ccccc23)c1 1874707924 DMJGQNRNTPMEMF-LFIBNONCSA-N 442.898 6.374 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC(=O)Cc2ccccc2F)c1 1874715782 LMWZGLANFUMTIE-FYWRMAATSA-N 430.519 6.476 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1 1875080536 MQIATBBTVOKPOE-RGVLZGJSSA-N 448.518 6.406 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)c1cccnc1 1875125456 KBBGDHXUXNMIAW-KPKJPENVSA-N 433.891 5.587 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc([N+](=O)[O-])c1OC(=O)C1CCCC1 1875133682 GZPVGLXPCADOJB-ZRDIBKRKSA-N 437.492 5.602 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)Cc1ccc(C)cc1 1875156877 MYNVOTJCHRKUCS-MHWRWJLKSA-N 442.555 6.561 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)c1ccc(C)c(C)c1 1875157709 LHVSPHYFCFNAAJ-VZUCSPMQSA-N 438.882 6.220 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)c2cnc(C)cn2)cc1 1875161294 JFHZIIBWOZQAGA-XYOKQWHBSA-N 430.504 5.206 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)cc2[N+](=O)[O-])cc1 1875169642 VTIACAGNZCBDPM-XYOKQWHBSA-N 443.499 6.252 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 1875176297 APXZOTPOXXULJW-FMIVXFBMSA-N 445.471 5.726 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)c(C)c3)cc2)c(OC)c1 1875178845 FVTFPHSVLMIAID-NTEUORMPSA-N 430.500 5.365 30 10 IKEE Cc1[nH]c2ccc(F)cc2c1CCNC(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F 1891787107 BLEXPMZKRMENCO-UHFFFAOYSA-N 432.339 5.626 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[C@H](C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1902327071 PIUGEBZSRRMVOG-KURKYZTESA-N 435.590 5.071 30 10 IKEE CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O 1903846677 DKHGMERMDICWDU-UHFFFAOYSA-N 444.659 8.918 30 10 IKEE C=C(COCc1ccccc1)[C@H](NC)c1cc2ccccc2cc1NC(=O)OC(C)(C)C 1922125487 NHUDCGAOAPVONA-VWLOTQADSA-N 432.564 6.220 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)[C@@H](CNC(=O)OC(C)(C)C)CCCC12CCC2 1924816202 BXCUPJLJTRIGFP-OSWQYVSFSA-N 449.636 5.779 30 10 IKEE CC(C)(C)OC(=O)NC1CCC([C@@](C)(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)CC1 1940971499 SCDNFRRJHAKFAX-NODKNVJMSA-N 449.514 5.152 30 10 IKEE CC(C)(C)OC(=O)N1CCC(C[C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2)CC1 2000205562 LWXQBTMAEKHITJ-FQEVSTJZSA-N 429.561 5.357 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@]1(C#N)CCCN(C(=O)OC(C)(C)C)CCC1(F)F 2020297119 LJTVSJJSPKMCND-NRFANRHFSA-N 445.551 5.198 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2032216163 GDJYYIMKOUFYKJ-KBMIEXCESA-N 449.636 5.924 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CN(Cc2ccccc2)C(C)(C)C1 2037382693 JQMLMFURQOCTMU-AREMUKBSSA-N 435.568 5.384 30 10 IKEE Cc1ccc([C@H](C2CCC2)n2nc(C3CCC3)c(C#N)c2I)cc1 2079002810 OQIFANVUHJNYOC-IBGZPJMESA-N 431.321 5.325 30 10 IKEE Cc1ccc([C@@H](C(C)C)n2nc(C3CC3)c(C#N)c2I)c(F)c1F 2079892660 DAXDWFSBMOQZKF-QGZVFWFLSA-N 441.263 5.069 30 10 IKEE CC[C@H](c1ccc(OC(C)C)cc1)n1nc(C(F)F)c(C#N)c1I 2080073266 GKKQIROJSFIDHA-CQSZACIVSA-N 445.251 5.084 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@@H](C(C)C)N(Cc3ccccc3)C2)cc1 2090228578 XCGMUDYNSQDZAP-RPLLCQBOSA-N 449.595 5.630 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)C[C@H]2C[C@H]1CC2(F)F 2101411658 PYKFKOGSFWVNHL-JCGVRSQUSA-N 427.289 5.518 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(Nc3ccc(Br)cc3C#N)CCCCC[C@@H]12 2162340747 CDXMKARSZPPVSJ-NQIIRXRSSA-N 434.378 5.445 30 10 IKEE C[C@H](Nc1ccc(C#N)c(Br)c1F)[C@H](NC(=O)OC(C)(C)C)c1ccco1 2172876163 CPYMEGZBTIKAJB-GTNSWQLSSA-N 438.297 5.119 30 10 IKEE N#Cc1ccc(N[C@@H]2CCN(Cc3ccccc3)C3(CCC3)C2)c(F)c1Br 2173444738 OXSXAYYXQVEEHH-GOSISDBHSA-N 428.349 5.459 30 10 IKEE CCN(c1cccc(Br)c1C#N)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2174814385 HIGYSNPVOMAWMW-XYPWUTKMSA-N 434.378 5.078 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](CNc2ccc(C#N)c(Br)c2)CC12CCC2 2176862974 MYUQMIXVORQTDO-HNNXBMFYSA-N 434.378 5.302 30 10 IKEE CN(c1cc(Br)c(C#N)cc1F)[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 2190460624 PSDUOWBDMZVXHO-CQSHLORDSA-N 429.333 5.280 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)[C@H]1C[C@@H]1C1CCCCC1 2200286075 ZHWHVOJEKXERBO-HSALFYBXSA-N 433.390 6.299 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCC[C@@H]2CCCC[C@@H]21 2201124352 SMZYTSXMCCVMQG-HOIFWPIMSA-N 433.390 6.443 30 10 IKEE C#C[C@H](NC(=O)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1)C1CCCCC1 2203795198 DSXFWBHXWJCFNV-SFHVURJKSA-N 435.362 5.108 30 10 IKEE N#Cc1c(F)cc(Br)cc1Oc1ccc(Cl)c(Cl)c1Br 2206352447 BURKZZFROPEEOF-UHFFFAOYSA-N 439.893 6.321 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CN(C(=O)OC(C)(C)C)CC23CC3)c1 2215217903 MPYQSWKUUPGTHW-DEOSSOPVSA-N 427.545 5.030 30 10 IKEE C=C([C@@H](NC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)C(C)(C)C 2229127007 JQGJZKJWGCTCOB-ZWKOTPCHSA-N 425.411 5.075 30 10 IKEE C=CCC[C@@H](C)[C@H](NC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229131304 ZIAOYJXVLJDOAK-MNEFBYGVSA-N 425.411 5.075 30 10 IKEE Cc1c(NC(=O)OC(C)(C)C)cccc1C(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 2231060339 SHJKBDQMZSIIDH-UHFFFAOYSA-N 444.381 5.040 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[C@@H]2Nc2ccc(Br)cc2C#N)C1 2233764572 SABXLLDOFLNTGE-BJZITVGISA-N 434.378 5.158 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2cc(C)cc(Br)c2)cc1 2237248324 IRWXIZCXUUNXKB-LJQANCHMSA-N 431.330 5.773 30 10 IKEE CC(C)(C)C#CC=CC[C@@H](O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2256688590 WECWDMQQCQUZFQ-YIXXDRMTSA-N 441.612 5.187 30 10 IKEE N[C@@H](C#Cc1cccc(Br)c1)c1cc(Br)sc1Br 2264170902 XZDJJUZIAQSOOA-NSHDSACASA-N 449.993 5.087 30 10 IKEE CCCc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)cc1 2283523540 QUWURKZEHGILBD-FQEVSTJZSA-N 429.358 6.408 30 10 IKEE Cc1ccc(SC2=CC(=NS(=O)(=O)c3ccc(C)cc3C)c3ccccc3C2=O)cc1 2293092020 KNMWUNAGRZAPMY-UHFFFAOYSA-N 447.581 5.662 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCCC)c2ccc(C)c(Br)c2)C1 2295814901 DGSMVRLDFRBLNH-LJQANCHMSA-N 437.422 5.659 30 10 IKEE COc1ccc(C=C2Oc3cc(OCc4ccc(F)cc4Cl)ccc3C2=O)cc1OC 2296865741 FAELAHSSGMVGPG-UHFFFAOYSA-N 440.854 5.692 30 10 IKEE O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1Cl 2297465960 AYRZFHJNKMIXRS-DEOSSOPVSA-N 429.903 5.518 30 10 IKEE CC(=O)c1c(C)nc(SCC(=O)Nc2ccccc2)c(C#N)c1C=Cc1ccccc1 2297605128 ZICOGCCOAIKXLQ-UHFFFAOYSA-N 427.529 5.366 30 10 IKEE CCN1C(=O)C(=Cc2cccc(OCc3ccc(C)cc3)c2)SC1=Nc1cccc(C)n1 2314539851 CKIWGVHDONVVLV-UHFFFAOYSA-N 443.572 5.901 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(C)n2N=Cc2ccc(Cl)cc2Cl)c1 2321109438 OMQJEOBJGFJWDL-UHFFFAOYSA-N 448.379 5.123 30 10 IKEE Cc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCc2ccc(Cl)cc2)C4)cc1 2321935364 AFRXANPHQWILDP-UHFFFAOYSA-N 445.946 5.968 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc3c2CN([C@@H](C)c2ccccc2)CO3)C1=O 2322092155 FEEWTSBBWXWPBH-SFHVURJKSA-N 427.500 5.615 30 10 IKEE CCCOC(=O)COc1c(C=CC(=O)c2ccc3c(c2)CCCC3)cc(Cl)cc1OC 2322334485 WEUDMDUEQOVXLY-UHFFFAOYSA-N 442.939 5.456 30 10 IKEE COc1cccc(C=CC(=O)c2cccc(Cl)c2)c1OCc1c(F)cccc1Cl 2322527997 NJJKITZLRKTZLG-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(Cl)cc2)c1OCC(=O)Nc1ccccc1C 2322542379 LWZAKPVAXALAAF-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OCc3ccc(C(=O)OCC)o3)c2)cc1 2323076354 WKQOACDBNFTIBF-UHFFFAOYSA-N 432.516 6.274 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OCC(=O)NC1CCCCC1 2323437720 QBUVYMADLGUENY-UHFFFAOYSA-N 447.575 5.298 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(OC)c(OCc3ccccc3Cl)c(OC)c2)c1 2323486207 ZNIDEKYANBAPBD-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCc3cc(C)ccc3C)c(OCC)c2)cc1 2323555130 VYUSXWNJAHYLIG-UHFFFAOYSA-N 442.599 7.520 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2)ccc1OCc1cccc(Cl)c1 2323579527 MLCSXJOLAJHCAH-UHFFFAOYSA-N 436.935 6.531 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OC(=O)CCOc4ccccc4)cc(C)c3C2=O)cc1 2323688204 RALDCAWTYLMZQW-UHFFFAOYSA-N 444.483 5.384 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OC(=O)c4cccc(OCC)c4)ccc3C2=O)cc1 2323792026 AVHXMXRSAJOTOT-UHFFFAOYSA-N 430.456 5.319 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)N[C@@H](C)c1ccccc1 2323800866 ZYMAAPPFTZJFRP-SFHVURJKSA-N 449.934 5.501 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2323864867 QFGXVYNMGNJSSK-UHFFFAOYSA-N 432.859 5.740 30 10 IKEE CCN(CCc1ccncc1)Cc1c(O)ccc2c1OC(=Cc1cccc(Cl)c1)C2=O 2324090785 MPHXZOUSEYEFET-UHFFFAOYSA-N 434.923 5.121 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 2324693513 GBOJJRGGZNUNJG-SFHVURJKSA-N 449.934 5.501 30 10 IKEE COc1ccc(C)cc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc(C)cc1)C2=O 2325119034 SMBVMMXUAHPHGB-UHFFFAOYSA-N 443.499 5.254 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3C2=O)o1 2325536142 UJODOAXESPMIMX-UHFFFAOYSA-N 443.377 5.241 30 10 IKEE Cc1ccc2nc(-c3ccc(NC(=O)C(=O)C=Cc4ccc(F)c(F)c4)cc3)sc2c1 2325578476 KRKKNDUKUVFASK-UHFFFAOYSA-N 434.467 5.771 30 10 IKEE Cc1cccc(COc2cc(C)c3c(c2)OC(=Cc2c(Cl)cccc2Cl)C3=O)c1 2325721129 RFZOTPNCHIXQGZ-UHFFFAOYSA-N 425.311 6.805 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2sccc2C)C3=O)cc1C 2325738992 LDRPKYXDIXTOLW-UHFFFAOYSA-N 433.529 5.615 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2OC)cc1OC(=O)Cc1cc(C)ccc1C 2325742263 OTHYMMVFMNBTNW-UHFFFAOYSA-N 444.527 5.673 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc1OC(=O)c1ccncc1 2325763737 HBSMLOWYUOFYSZ-UHFFFAOYSA-N 437.879 5.176 30 10 IKEE CCOc1cccc(C=Nn2c(COc3cc(C)c(Cl)c(C)c3)nnc2SCC)c1 2326130905 JKTHZLTXORTKJB-UHFFFAOYSA-N 444.988 5.520 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1cccc(OCC)c1 2326542361 ZVUGEBGDMALRBV-UHFFFAOYSA-N 444.988 5.602 30 10 IKEE Cc1c(C=Nn2cnnc2SCc2ccc(Br)cc2)c2ccccc2n1C 2326607990 LOZFEDWVRZNGAI-UHFFFAOYSA-N 440.370 5.015 30 10 IKEE CCCCC1CCC(c2nnc(SCC)n2N=Cc2ccc(OC)c(OC)c2)CC1 2328147369 SLERVLRHDGVWTN-UHFFFAOYSA-N 430.618 5.754 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1ccc(OC)c(O)c1 2328179631 PSJBHKMRBOKMKK-UHFFFAOYSA-N 428.602 5.617 30 10 IKEE CCCCC1CCC(c2nnc(SCCCO)n2N=Cc2ccc(OC)cc2)CC1 2328198238 GXKCKLHNUIHDNL-UHFFFAOYSA-N 430.618 5.107 30 10 IKEE C=C(C)CSc1nnc(CCOc2ccccc2)n1N=Cc1ccccc1OC(C)C 2329189807 LEUIBOCXUAUTMZ-UHFFFAOYSA-N 436.581 5.237 30 10 IKEE CCCCOc1ccc(C=Nn2c(Cc3ccc(C)cc3)nnc2SCC)cc1OC 2329966771 PKTVZTYOKWDPDM-UHFFFAOYSA-N 438.597 5.359 30 10 IKEE COc1cc(C=Nn2c(SCc3ccccc3C)nnc2-c2ccccc2)ccc1O 2330634802 KLOFDGLSJJIMSF-UHFFFAOYSA-N 430.533 5.142 30 10 IKEE C=C(C)CSc1nnc([C@H]2CCCO2)n1N=Cc1ccc(OCCCCC)c(OC)c1 2330952112 GBEZVDGMJQODJY-HXUWFJFHSA-N 444.601 5.258 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OC(=O)Cc1cccs1 2331100793 IWRCTHRBUZIBBS-UHFFFAOYSA-N 428.456 5.469 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)CCCOc2ccccc2)cc1 2331351805 AXAQAQYWXKSQJW-UHFFFAOYSA-N 430.500 5.664 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)C2CC2)c(Br)c1 2331664918 NNOXIHUWOYSMJT-UHFFFAOYSA-N 429.310 5.286 30 10 IKEE CC(C)c1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(N(C)C)cc1 2331705555 DNLHFLFFBAGFIS-UHFFFAOYSA-N 448.423 5.949 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2N=Cc2cccc(Cl)c2)cc1C 2331724119 YWWUCISAOLNRNJ-UHFFFAOYSA-N 439.972 5.039 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(C)c(C)c(Br)c(C)c1C 2375352692 UMYZSTIUFZKDRK-XLIONFOSSA-N 439.438 5.803 30 10 IKEE COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C/c2ccc(-c4ccccc4)cc2)C3=O)c1 2417641 UEWSCFOCFCHLNN-JVWAILMASA-N 448.474 6.198 30 10 IKEE Cc1cccc(CSc2nc3n(n2)[C@@H](c2cccc(Cl)c2)C2=C(CCCC2=O)N3)c1 9856538 UJHJNLNRYDKBJY-NRFANRHFSA-N 436.968 5.554 30 10 IKEE CCCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccc(F)cc1)C2 20881803 ITNAQSVZTIWSOL-HMILPKGGSA-N 442.534 6.594 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2c[nH]c3ccccc23)cc1 21220131 QLUNPKXIYZUSPC-XBBWARJSSA-N 449.554 6.546 30 10 IKEE CC(C)Oc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(Cl)c2Cl)cc1 21236996 VUTIQZFRWNJFIV-MAUKXSAKSA-N 444.358 5.785 30 10 IKEE O=C(/C=C\c1c(-c2ccc(Br)cc2)nc2sccn12)c1ccccc1F 33423815 LEQPJZMHNPJLKR-KTKRTIGZSA-N 427.298 5.861 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C/c1c(F)cccc1Cl)C2=O)c1ccccc1Cl 33438644 YWMSGJZBEPEUPC-RGVLZGJSSA-N 429.230 5.968 30 10 IKEE C[C@@H]1Oc2ccccc2C=C1/C=C1/Oc2cc(OC(=O)c3ccc(F)cc3)ccc2C1=O 33548744 AELSKUVTZRNISM-MMTYYTLLSA-N 428.415 5.368 30 10 IKEE CCCCOc1ccc(C(=O)/C(=C\c2ccc(OCC)cc2)c2nc3ccccc3o2)cc1 33618586 XKFUFHLEJRHHES-LYBHJNIJSA-N 441.527 6.829 30 10 IKEE Cc1ccsc1/C=C1/Oc2cc(OC(=O)c3ccccc3Br)ccc2C1=O 33875670 ZLUAQRIXKZVWQA-WOJGMQOQSA-N 441.302 5.654 30 10 IKEE C=CCOC(=O)C1=C(C)N(Cc2cccc(Cl)c2)C(=O)C[C@@H]1c1ccccc1Cl 37280140 BXVCNSLZTHRPOM-LJQANCHMSA-N 430.331 5.513 30 10 IKEE CC(C)(C)c1ccc(CSc2nc3ccc(/N=C/c4ccc(F)cc4)cc3s2)cc1 59462500 OFSALCUUOZQURJ-JFLMPSFJSA-N 434.605 7.776 30 10 IKEE COc1ccccc1/C=C/C=C(\C(=O)c1ccc(OC)c(OC)c1)c1nc2ccccc2o1 97514693 YQEMXUADESEJHZ-OCJYSZNUSA-N 441.483 5.833 30 10 IKEE CCCCCCCOc1cccc(NC(=O)c2cc(Br)ccc2OCC)c1 100246431 YBSQFMDPOLCUDL-UHFFFAOYSA-N 434.374 6.449 30 10 IKEE CN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2)S/C1=N/c1ccccn1 101123852 WWKSZISTKQMHIY-URWIEHKQSA-N 435.936 5.548 30 10 IKEE CCCCCCCCCCn1c([C@H](C)NC(=O)c2ccccc2OC)nc2ccccc21 102116002 GCABMJCQWNEACH-NRFANRHFSA-N 435.612 6.677 30 10 IKEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 102706634 DHLXSACORIPVNB-RKKARLDVSA-N 430.504 5.215 30 10 IKEE Cc1ccc2oc(-c3ccccc3N/C=C3\C=C(Cl)C=C(Br)C3=O)nc2c1 136537362 XHAJFXPEXCBXRM-ACCUITESSA-N 441.712 6.083 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C)c(C)c2)cc1 169924221 OVAQCGLYFOJNBT-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2sc(C)nc2C)=C(O)C(=O)N1c1cc(C)cc(C)c1 169941464 NITFWFBUQGAPRB-OAQYLSRUSA-N 448.544 5.168 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc(C)c2)cc1 169972075 OZNFMFFUNBZPJY-DEOSSOPVSA-N 427.500 5.091 30 10 IKEE CC(C)Oc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2)cc1 169977459 MSRPOYXYADBJPA-QHCPKHFHSA-N 431.463 5.396 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccncc2)cc1Cl 170021871 WPCNAPBGCHCKDV-QHCPKHFHSA-N 432.907 5.145 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2sccc2C)cc1C 170107637 QHMSNBICZAXJRO-FQEVSTJZSA-N 427.566 5.067 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1c1ccccc1 170122552 IRXBNCLQSFFTIR-RUZDIDTESA-N 435.479 5.631 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cccc(C)c1 170148421 NVKSZJSEZOQURR-XMMPIXPASA-N 447.575 5.822 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2cccs2)cc1 170156944 PUEDVVRKPVTUCW-HXUWFJFHSA-N 434.473 5.002 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@@H]1c1ccccn1 170180977 RWAHCHYOFGSUBM-QHCPKHFHSA-N 436.552 5.372 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2cccnc2)cc1 170187098 GTNMHDHPIIGYIN-XMMPIXPASA-N 442.515 5.270 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@@H]1c1ccc(OCC)cc1 170214542 XFOORTFORFGIHV-QFIPXVFZSA-N 441.499 5.002 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2F)cc1C 170248285 XTWHCCLYBFJQCY-QFIPXVFZSA-N 435.426 5.065 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C2CCCC2)cc1 170268621 KTZRONLEWTXZSF-NRFANRHFSA-N 444.358 6.077 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2C)c1 170278468 OPVTWRLDRZZLJJ-OAQYLSRUSA-N 425.912 5.178 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4cc(C)cc(C)c4)[C@H]3c3ccco3)oc12 170282800 ZSOQUYKHJITDCS-QFIPXVFZSA-N 443.455 5.434 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccco2)ccc1OC(C)C 170289863 XJYXSNWUTYUVQY-HSZRJFAPSA-N 442.471 5.030 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@@H]1c1ccco1 170294755 LHKOPTIAEVXPEH-NRFANRHFSA-N 425.525 5.354 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cc4cc(Cl)ccc4o3)=C(O)C(=O)N2c2ccccc2O)o1 170301202 BROIUVQYJKEGCR-NRFANRHFSA-N 449.846 5.476 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cc4cc(Cl)ccc4o3)=C(O)C(=O)N2Cc2cccnc2)o1 170307723 KCLCLHJGLQMSNC-OAQYLSRUSA-N 448.862 5.161 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2sccc2C)cc1 170315116 VKDKYKKCXCFEJN-QFIPXVFZSA-N 447.556 5.935 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2sccc2C)cc1C 170319723 QIWYWAHMQATBJR-HXUWFJFHSA-N 425.550 5.285 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(Cc2ccc(OC(C)(C)C)cc2)[C@H]1c1ccc(O)cc1 170447985 QNEHWGKOFOMBPE-QHCPKHFHSA-N 437.536 5.080 30 10 IKEE CC(C)c1ccccc1N=C1SCCCN1C(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 254793707 VVBWSYMUQVRZET-RDNZODCXSA-N 431.045 6.341 30 10 IKEE Cc1onc(-c2c(Cl)cccc2Cl)c1C=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254871771 JNBWPKDJNPFNMP-UHFFFAOYSA-N 436.211 5.219 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(OCC)cc2)cc1 526484208 CMVBSMKJIVCWIN-VWLOTQADSA-N 440.499 5.413 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccc(Cl)c2)c1 526605282 VGICYDOGSSYAGQ-DEOSSOPVSA-N 444.918 6.058 30 10 IKEE N#Cc1ccc(N2C(=O)C(Nc3cccc4ccccc34)=C(Sc3ccccc3)C2=O)cc1 526635966 FFOLVCFPCWJKLH-UHFFFAOYSA-N 447.519 5.701 30 10 IKEE CCCOc1cc(/C=N\n2c(CCC)nnc2SCc2ccccc2F)ccc1OC 526802574 HFBULKBIVSLGAF-MYYYXRDXSA-N 442.560 5.342 30 10 IKEE C=C(C)CN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccccc1Cl 586226313 WGWUPNALFZJOTP-UHFFFAOYSA-N 427.953 5.690 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)OC2CCC(NC(=O)c3ccccc3)CC2)cc1 586506910 RNBAHALOISOJBA-UHFFFAOYSA-N 443.609 5.256 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1cc(Cl)ccc1F 698451090 IZOSTMJQQOYYBW-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1cccc(C2CC2)c1 698483054 STCBISGEWAOLFF-FQEVSTJZSA-N 427.342 6.333 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@@H](C#N)c1ccc(F)cc1Br 698958287 PMOKUBYHYSMDEO-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H]([C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 710703497 SXSOSUXTNNIJPF-QMHKHESXSA-N 433.524 5.106 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2ccc(F)cc2Br)c1 829353432 CQNUUSDMHJCZFV-SFHVURJKSA-N 435.293 5.603 30 10 IKEE Cc1c(Cl)cccc1-n1c(C)cc(/C=C2\SC(=Nc3ccc(F)cc3)NC2=O)c1C 1083891745 GTCHTWKHJWTDAM-MTJSOVHGSA-N 439.943 6.087 30 10 IKEE O=C(O)c1ccc(N=C2S[C@H](Cc3ccc(Cl)cc3)C(=O)N2Cc2ccco2)cc1 1772727993 BWNOPIJFEAEOAG-LJQANCHMSA-N 440.908 5.006 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=Nc2ccccn2)N1C1CCCCC1 1772730610 DQLHOGKIFYNBKR-JLFKZYKSSA-N 432.376 6.325 30 10 IKEE C[C@@]12CC[C@@H](OS(C)(=O)=O)CC1=CC[C@@H]1[C@H]2CC[C@@]2(C)C(c3cccnc3)=CC[C@H]12 1857788221 LSAACYNNLMENON-JCIOOMFDSA-N 427.610 5.383 30 10 IKEE Fc1ccccc1-n1cc(/C=N\NC(=S)Nc2cccc(Cl)c2)c(-c2ccccc2)n1 1857810302 AFTJZVUNIHDPMH-WGARJPEWSA-N 449.942 5.652 30 10 IKEE COc1cccc(-c2nn(-c3ccccc3F)cc2/C=N\NC(=S)Nc2ccccc2)c1 1857810543 NLVJMOPWFZJSOL-YSMPRRRNSA-N 445.523 5.008 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(Cl)c(Cl)c2)c(=O)cc1C(=O)O 1857891048 KESMBGRPHMWQIL-UHFFFAOYSA-N 426.340 5.793 30 10 IKEE Cc1ccc(Cn2nc(C(=O)Nc3ccc(C#N)cc3)cc2-c2ccc(C(C)C)cc2)cc1 1859398764 OHFDUEJMCDZXDM-UHFFFAOYSA-N 434.543 6.154 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1c(C)ccc2ccccc12 1860991062 RZMGPYNZJWNUQA-AREMUKBSSA-N 444.619 5.966 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)c1cccc(OCC(C)C)c1 1861761331 NOTMBJTZPLUZPZ-SANMLTNESA-N 432.649 5.877 30 10 IKEE O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCN(Cc2ccccc2F)CC1 1861858329 NCIPJIHCLOYYNY-UHFFFAOYSA-N 448.382 5.714 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2cccc(C)c2)cc1C 1862400906 PGHGMDIAVGMLEG-CLOONOSVSA-N 441.527 5.652 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2C2CC2)cc1 1862409252 GHOFNRCGBNOZEG-DEOSSOPVSA-N 449.547 5.313 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1cccc(F)c1 1862413900 NDBBARONFUCZHK-PGRDOPGGSA-N 445.481 6.041 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1Cl 1862445788 DGQFOZYWQYRSTR-FQEVSTJZSA-N 432.347 6.152 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2[C@H](C)CC)c1 1862450030 XZYMMQAWDNODHM-VFNWGFHPSA-N 427.928 5.506 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(C)cc2)cc1 1862475861 WBZXCHWHWZQBRN-XMMPIXPASA-N 427.500 5.091 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccccc2Cl)c1 1862490768 DFEBCVIDPILOHE-DEOSSOPVSA-N 445.946 6.044 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1ccccc1 1862513760 DAHPUGLZYTYTRZ-DHLKQENFSA-N 449.591 6.413 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2ccccc2C)cc1 1862534434 SXPPHEYWQIQIFG-SANMLTNESA-N 439.555 5.953 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2CC)cc1OCC 1862541408 KYAASNAODKGHDQ-HSZRJFAPSA-N 437.536 5.035 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccccc1 1862544226 YVECDHMLSIXKEK-NIYFSFCBSA-N 437.539 5.905 30 10 IKEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862620275 OUUKRWNHYYSAFZ-QHCPKHFHSA-N 449.591 5.506 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(C(=O)OC)cc1 1862667263 WZLVBKJLABKGIZ-QHCPKHFHSA-N 449.547 5.365 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1c(F)cccc1Cl 1862677319 CVUDANUAIWAWPC-HXUWFJFHSA-N 449.881 5.012 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(Cl)cc1Cl)c1ccc(F)cc1 1862681838 BUMVOPZCMPZKKV-HXUWFJFHSA-N 448.321 6.044 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862688697 YYDCQBSUKTURIV-VWLOTQADSA-N 441.527 5.345 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2cccc(C)c2)cc1 1862712970 DXMRRIMBUSNPGG-HHHXNRCGSA-N 447.534 6.235 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccccc1F 1862724485 NKZPCYTXKNRPNR-XMMPIXPASA-N 429.491 5.727 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(O)cc1 1862724649 QTVWDFVICLYPJN-VWLOTQADSA-N 441.527 5.828 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccccc2[N+](=O)[O-])C1=O 1863239717 LKNQBGTZVAVXOP-LJQANCHMSA-N 446.507 5.017 30 10 IKEE CCCCCCCCNC1=C(c2ccc(Cl)cc2)C(=O)N(CCCN(CC)CC)C1=O 1863532695 VQNMYJYCUVQUDU-UHFFFAOYSA-N 448.051 5.102 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H](C)c2ccc(CC)cc2)=C(c2cccs2)C1=O 1863805359 UBYNCZIVCKEZJA-LJQANCHMSA-N 438.637 6.102 30 10 IKEE CC[C@@](C)(NC(=O)[C@H](c1ccc(Cl)cc1)C1CCCC1)C(=O)Nc1ccc(C#N)cc1 1867007054 DMXDVKUCTXUESW-WIOPSUGQSA-N 437.971 5.409 30 10 IKEE C=CCOc1cn(C[C@@H](O)c2ccc(Cl)cc2)c(CSc2ccccc2)cc1=O 1870246193 SBWCAXIBZXCHNG-JOCHJYFZSA-N 427.953 5.092 30 10 IKEE CCCCCCCOc1cn(CCN(CC)CC)c(CSc2ccc(C)cc2)cc1=O 1870251598 MIFOTHDENQXNMG-UHFFFAOYSA-N 444.685 6.140 30 10 IKEE CCCCCCCCCCn1cc(OCc2ccccc2)c(=O)cc1CSC(C)C 1870271342 FWFPYPVFXCDAAE-UHFFFAOYSA-N 429.670 7.210 30 10 IKEE CCCCCCCOc1cn(CCC(C)C)c(CNc2ccc(C(C)(C)C)cc2)cc1=O 1870833640 PKDWLZYPQIVYCF-UHFFFAOYSA-N 440.672 7.153 30 10 IKEE C#CCOc1cn(Cc2ccccc2Cl)c(CNc2ccc(Cl)cc2C)cc1=O 1871005770 XYOWWKACANFLJT-UHFFFAOYSA-N 427.331 5.136 30 10 IKEE CCCCCCCCCCn1cc(OCCCC)c(=O)cc1CNc1cc(C)cc(C)c1 1871112732 QTORRKBQDHVLKH-UHFFFAOYSA-N 440.672 7.397 30 10 IKEE CCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CNc1ccc2nc[nH]c2c1 1871258640 UUTFHEHMVDJBHD-UHFFFAOYSA-N 438.616 6.122 30 10 IKEE CCc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3ccccc3F)C4)C2=O)cc1 1871352450 JQOOEGIGYSWTEK-MSXFZWOLSA-N 429.491 5.665 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc(F)cc4)cc(C)c3C2=O)cc1 1871366159 VGVQLTRSRLOGLO-ZLWWARENSA-N 428.459 5.932 30 10 IKEE CC(C)COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)c1 1871379061 IOPPTRRUUJBTFP-CFRMEGHHSA-N 432.447 5.696 30 10 IKEE Cc1cc(O)c(CN2C[C@@H](C)C[C@H](C)C2)c2c1C(=O)/C(=C/c1ccc(Cl)c(Cl)c1)O2 1871396344 AWIBRYLFRZAKOY-OZYOTALKSA-N 446.374 6.102 30 10 IKEE CCc1cccc(CC)c1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O 1871408379 SDIPGVSZTMQKIH-NAHYFOQLSA-N 441.527 5.834 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OCCOc4ccc(OC)cc4)c3C)C2=O)cc1 1871414469 JAHYTEAWFVWHHA-JLPGSUDCSA-N 432.472 5.086 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCc3ccc(C(=O)OC(C)C)o3)ccc2C1=O 1871439267 QDFRTAWZXCNPTI-CFRMEGHHSA-N 448.471 5.439 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1cccs1 1871821531 WVPGWCRJUNDBQG-OAQYLSRUSA-N 448.654 5.465 30 10 IKEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 1872009669 DFLGTTUHATYOQJ-QHCPKHFHSA-N 442.625 5.277 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(Nc2ccccc2)cc1)S(=O)(=O)CCC 1872157613 MIRSAZWQGCYXPR-QHCPKHFHSA-N 443.613 5.155 30 10 IKEE COc1ccccc1-c1csc([C@H](C#N)C(=O)c2cccc(Oc3ccccc3)c2)n1 1872766123 CHKSSEOKFIWUAJ-OAQYLSRUSA-N 426.497 6.101 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@@H](C#N)C(=O)/C=C\c2ccc3c(c2)OCCO3)n1 1872780308 FIUUUTBBFFDJJE-UTSMFGRCSA-N 446.528 5.096 30 10 IKEE CCCc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3OC)cs2)cc1 1872783686 FYLBBKCJWINQDJ-FQEVSTJZSA-N 436.533 5.035 30 10 IKEE COc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc1 1872786566 NIQNPMAYONHUBI-NRFANRHFSA-N 434.561 5.779 30 10 IKEE CCCCCCCCNC1=C(c2cc(F)cc(F)c2)C(=O)N(Cc2ccccc2F)C1=O 1873112823 DTIYADWLNIVRID-UHFFFAOYSA-N 444.497 5.334 30 10 IKEE CCCCCN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2c(Cl)cccc2Cl)C1=O 1873287386 TVPIHIDYRIOALG-UHFFFAOYSA-N 428.319 5.247 30 10 IKEE C=CCn1c(C(=O)Nc2cc(Cl)cc(Cl)c2)cc2c(NCCCCC)ncnc21 1873622899 OYGPVPDQNAHWND-UHFFFAOYSA-N 432.355 5.779 30 10 IKEE N#Cc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(c3ccccc3)C23CCCCC3)cc1 1873867789 YCYJNBXYWJSYOQ-VWLOTQADSA-N 435.527 5.644 30 10 IKEE C=C(C)COc1ccc2c(C)c(CCC(=O)N[C@@H](C)c3ccc(CC)cc3)c(=O)oc2c1 1873915180 LMULNFPWPXXOFU-IBGZPJMESA-N 433.548 5.429 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc(CNS(=O)(=O)c2ccccc2)cc1 1873935393 OTTKUDVFDDPXKA-UHFFFAOYSA-N 430.614 5.036 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1ccc(C)cc1 1874207375 JIGAPNQRPOZOMX-YDZHTSKRSA-N 441.398 5.490 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccccc1OC 1874232294 SHQDDNQVAQUTLO-WPWMEQJKSA-N 442.588 5.776 30 10 IKEE C=CCSc1nnc(COc2c(C)cccc2C)n1/N=C/c1c(F)cccc1Cl 1874300456 QMRPUKHVTIARCO-WYMPLXKRSA-N 430.936 5.427 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(COc2ccc(C)c(C)c2)nnc1SCC=C 1874321283 JTEDNVVWAYLAJS-PCLIKHOPSA-N 434.565 5.199 30 10 IKEE Cc1ccc(C)c(CSc2nnc(COc3ccccc3)n2/N=C/c2ccc(F)cc2)c1 1874384390 MZRDEPALNUFHAO-JFLMPSFJSA-N 446.551 5.788 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3)n2/N=C/c2ccc(O)cc2)c1 1874402322 SVHGLQZDQPUJEB-YZSQISJMSA-N 428.561 5.252 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(Cc2cccs2)n1/N=C/c1ccc[nH]1 1874413649 DVFKOCOSECVCSG-FOKLQQMPSA-N 448.404 5.740 30 10 IKEE CCOc1cc(/C=N/n2c(CC(C)(C)C)nnc2SC)ccc1OCc1ccccc1 1874435828 ZMOULLVRWGHTFH-PCLIKHOPSA-N 438.597 5.449 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2F)n1/N=C/c1ccccc1[N+](=O)[O-] 1874438672 MWYPYQHRBFYUDK-YDZHTSKRSA-N 427.505 5.089 30 10 IKEE Fc1cccc(CSc2nnc(C3CCC3)n2/N=C/c2ccc(C(F)(F)F)cc2)c1 1874494255 IJVJNXBKXQCCRH-RPPGKUMJSA-N 434.462 5.878 30 10 IKEE CCCCCOc1ccc(/C=N/n2cnnc2SCc2cccc3ccccc23)cc1 1874539388 BVJNIDTURAFRJH-WPWMEQJKSA-N 430.577 6.175 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(C)c2)c(C)c1 1874579094 WBEPWJYKUZSPGC-YRNVUSSQSA-N 447.962 6.487 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(C)ccc2C)c1OCC(=O)Nc1ccccc1F 1874580185 BEVPEBDTKQXWBD-BUHFOSPRSA-N 433.479 5.365 30 10 IKEE O=C(/C=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1cccc2ccccc12 1874582433 NPPFFUWXDPUHOW-FYWRMAATSA-N 433.334 7.622 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(Cl)c1OCc1ccccc1F 1874609400 OVSXRMWNCGTUML-MDWZMJQESA-N 440.898 6.362 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCCC)c([N+](=O)[O-])c2)cc1OCCC 1874612611 DAXPARPIYHUTIF-JXMROGBWSA-N 427.497 5.857 30 10 IKEE CCc1ccccc1OCC(=O)Oc1cccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)c1 1874713099 GNLYSGISBGBQTJ-BUHFOSPRSA-N 444.527 5.755 30 10 IKEE CCCCCCCCC(=O)NCCc1nn2c(Cc3cccc4ccccc34)nnc2s1 1874787302 FHYVTMYJOLPNEW-UHFFFAOYSA-N 449.624 5.339 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)c3ccccc3)c(OC)c2)cc1C 1875109055 UGNBZQZJZXAMJV-YFPIXMDGSA-N 430.500 5.617 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2Br)cc1 1875133111 FPMDKIPQOGGHTN-UKTHLTGXSA-N 449.344 6.110 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2OCC)cc1 1875133692 HIKKFNJFHWLKJH-OVCLIPMQSA-N 444.527 6.216 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(Cl)c1OC(=O)C1CCCC1 1875154113 OYORACCORNZLAI-BUHFOSPRSA-N 434.919 6.494 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)c1ccc(C)c(C)c1 1875158806 OCVZIGZLSFANTB-RIYZIHGNSA-N 444.502 6.295 30 10 IKEE CCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc1[N+](=O)[O-] 1875162631 JBSYDQLRPCPUHF-CSKARUKUSA-N 425.481 5.637 30 10 IKEE C=C(C)CSC(C)(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1883383018 DMIRCDQXPKDNKE-OAQYLSRUSA-N 425.550 5.066 30 10 IKEE C=CCC(CC=C)SC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1888157024 BUVNPCGGCKKRPK-QHCPKHFHSA-N 437.561 5.232 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)[C@H](CC(C)C)CC(F)(F)F)ccc21 1890140925 HXSJYIQALPBWFC-OAHLLOKOSA-N 426.479 5.177 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](Cc2ccc(Cl)cc2Br)NCC)C1 1892692409 XKYXSQYKGXLPSM-KRWDZBQOSA-N 443.813 5.237 30 10 IKEE CC(C)(C(=O)O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C#N)s1 1951882749 ACKHLYFNKMZBSI-JOCHJYFZSA-N 446.528 5.310 30 10 IKEE C=CC1(C[C@@H](C[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)NCCC)CCC1 2002635279 XMBJOLJNSQFZRF-PKTZIBPZSA-N 430.633 5.601 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CCC2(CCC2)N1C(=O)OC(C)(C)C 2025391486 QTSMELYKAWBXTG-PKTZIBPZSA-N 428.617 5.450 30 10 IKEE CC[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(OC)cc2)CN1Cc1ccccc1 2029759359 LVIYOWOFYIKDRY-HFZDXXHNSA-N 435.568 5.384 30 10 IKEE CCCCOc1ccc(C=C2CN(C)CC(=Cc3ccc(OCCCC)cc3)C2=O)cc1 2040454994 LMQMJYFVRFKJSJ-UHFFFAOYSA-N 433.592 6.026 30 10 IKEE CC1(C)CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)[C@H](OCc2ccccc2)C1 2043774170 DJZNGGUTBIKQKN-KCWPFWIISA-N 440.628 6.614 30 10 IKEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(C)c1 2045241859 UUWWOHDPBRCXQX-CLOONOSVSA-N 443.588 5.666 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1C[C@@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2048078512 SHNVRWFDRFLSFR-CPJSRVTESA-N 449.636 6.018 30 10 IKEE CC(C)CN(Cc1ccccc1)c1ncc(C(F)(F)F)cc1B1OC(C)(C)C(C)(C)O1 2052609867 DGHOBPVQJPHFBT-UHFFFAOYSA-N 434.311 5.062 30 10 IKEE O=C(C=Cc1ccccc1[N+](=O)[O-])Oc1ccccc1C=CC(=O)c1cc2ccccc2o1 2053513278 LFWRPHQHEBULBX-UHFFFAOYSA-N 439.423 5.856 30 10 IKEE CCN[C@H](C#C[Si](C)(C)C)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071269191 ZKGVVYIWIQKVSI-AREMUKBSSA-N 443.663 6.376 30 10 IKEE C#CC[C@@H](C[C@@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1)C1CC1 2076108086 UXQQALSOPBRCGQ-MNPDLOSFSA-N 442.644 5.293 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)ccc1C 2137751625 HYPBPBWJRXYCRY-OALUTQOASA-N 425.411 5.658 30 10 IKEE C[C@H]1CCCN(c2cc(Br)ccc2C#N)[C@H]1CCCNC(=O)OC(C)(C)C 2174808033 JGDOLDGRIKHQSA-YJBOKZPZSA-N 436.394 5.231 30 10 IKEE CCCN(CC(C)(C)CNC(=O)OC(C)(C)C)c1cc(Br)c(C#N)cc1F 2174812043 GLLHKWJCWAZLMO-UHFFFAOYSA-N 442.373 5.227 30 10 IKEE CCN(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1ccc(C#N)c(Br)c1F 2174813774 AAQUZRQEPUIRMV-HNNXBMFYSA-N 440.357 5.076 30 10 IKEE N[C@@H](C#Cc1ccccc1Br)c1c(Br)cccc1Br 2227472872 FYTTWLWEMIBGSG-AWEZNQCLSA-N 443.964 5.026 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H](C)CN(CC)C(=O)OC(C)(C)C 2235730406 OPUOFDWNKXSMAW-FXAWDEMLSA-N 437.422 5.062 30 10 IKEE CCCCCCCCC[C@](C)(CN)N(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2252908911 GPUYSARKDVEYTJ-AREMUKBSSA-N 433.681 5.871 30 10 IKEE CCCCC#CC[C@H](NCCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2256704483 VSURNZBACQEKET-DEOSSOPVSA-N 442.644 5.392 30 10 IKEE C#CCC[C@@H](OCCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2262884391 ZTQQPOROTCFHHT-AREMUKBSSA-N 429.560 5.665 30 10 IKEE C=C(C)CCCC[C@H](N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2271755766 XZCCINRFUWGYLG-LITSAYRRSA-N 445.603 6.342 30 10 IKEE CN[C@@H](C#Cc1cccnc1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2278262430 BBMSJBYJOFOFFH-MHZLTWQESA-N 434.539 5.552 30 10 IKEE C=CCC1([C@H](NC)c2cc(Br)cc(C(C)C)c2)CN(C(=O)OC(C)(C)C)C1 2280707392 YHHZGDNMUMUCGE-LJQANCHMSA-N 437.422 5.646 30 10 IKEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 2296079561 PBFONPZZAZUSLC-QHCPKHFHSA-N 426.516 5.314 30 10 IKEE CC(C)(C)OC(=O)NCCC1(C(=O)C#Cc2ccc(Br)cc2)CCCCC1 2296270235 XQZCVNRDBGLAGW-UHFFFAOYSA-N 434.374 5.235 30 10 IKEE Cc1c(OCc2ccccc2Cl)ccc2c1OC(=Cc1cn(C)c3ccccc13)C2=O 2296604200 HXVWUDLZLWNPCN-UHFFFAOYSA-N 429.903 6.335 30 10 IKEE CC(C)Oc1ccccc1C=C1CN(C(C)C)CC(=Cc2ccccc2OC(C)C)C1=O 2297334032 WTVQJPKMQSAAIS-UHFFFAOYSA-N 433.592 6.021 30 10 IKEE O=C(C=CN=c1[nH]c(-c2ccc(OC(F)F)cc2)cs1)C12CC3CC(CC(C3)C1)C2 2297549485 ONFNDVCFTDPORB-UHFFFAOYSA-N 430.520 5.545 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Cl)cc(Br)c1F 2315454035 SNGJYIYVFRWXTF-GOEBONIOSA-N 435.765 5.362 30 10 IKEE Clc1ccc(CSc2nnc(C3CC3)n2N=Cc2ccc(Br)cc2)cc1 2320879211 OPLPOCNBNRTHCC-UHFFFAOYSA-N 447.789 5.746 30 10 IKEE Cc1cc(OCc2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O2 2321773088 GQBFTQOWVQHKNV-UHFFFAOYSA-N 432.947 7.141 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccco1)C3=O)CN(Cc1cccc(C(F)(F)F)c1)CO2 2322283140 NVYKEJXEMSTIFF-UHFFFAOYSA-N 441.405 5.575 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccccc1OCC(=O)NCc1ccccc1 2322926703 JTPUNROWKGLGTB-UHFFFAOYSA-N 449.934 5.248 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2cccc(C)c2)c2ccccc12 2323019082 ZRWQLPCARVGZIF-UHFFFAOYSA-N 442.942 7.285 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3cc(C)cc(C)c3)c2)cc1 2323063363 KVJRHMVUGAEFOZ-UHFFFAOYSA-N 443.543 5.788 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)N[C@H](C)c3ccccc3)c2)cc1C 2323078858 KMUKYVLKYMAGSY-HXUWFJFHSA-N 429.516 5.156 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OCC(=O)Nc3ccc(C)cc3C)c2)c1 2323177844 XCKXDIJMGNIQSI-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE C=CCOc1c(OC)ccc(C=CC(=O)c2ccc(OC)c(Cl)c2)c1Br 2323310658 WRABLQBJRRJPEW-UHFFFAOYSA-N 437.717 5.581 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O)c1ccc(Cl)c([N+](=O)[O-])c1 2323701069 HDYCVVUGQVBWEM-UHFFFAOYSA-N 439.782 5.223 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OCc2cccc(C)c2)c(Br)c1 2323701954 NUCXZXAYNGYVEK-UHFFFAOYSA-N 437.333 6.241 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(OC)c1OCc1ccccc1C 2324097945 YXKOYRYEUWKKBU-UHFFFAOYSA-N 442.511 5.936 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(O[C@H](C)C(=O)Nc4ccc(C)cc4)c3C)C2=O)cc1 2324373385 LTRAZYCJWVEQJU-GOSISDBHSA-N 443.499 5.334 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccccc1C 2324451592 BYOKQRUVJSSGCX-UHFFFAOYSA-N 434.963 7.139 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCCCCOc4ccc(C)cc4)c3C)C2=O)cc1 2324589024 UUCYCHATJLSWTI-UHFFFAOYSA-N 428.528 6.466 30 10 IKEE COC(=O)c1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 2324612237 UIVMZBNZOITYDT-OAQYLSRUSA-N 444.556 5.784 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1C 2324627275 VOMABAABPAHCGS-OAQYLSRUSA-N 443.543 5.464 30 10 IKEE Cc1cc(OCC(=O)C(C)(C)C)cc2c1C(=O)C(=Cc1cccc(Br)c1)O2 2324919462 ZTBZFVVWRHFPFM-UHFFFAOYSA-N 429.310 5.368 30 10 IKEE CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccc(Cl)c(Cl)c1 2325589580 NBLRQCCEWRKVGA-UHFFFAOYSA-N 436.324 5.230 30 10 IKEE CCCCCCOc1ccc(NC(=O)C(=O)C=Cc2ccccc2Br)cc1 2325603947 XOHCQUUPDJKDKK-UHFFFAOYSA-N 430.342 5.629 30 10 IKEE CCOc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc(CC)cc3)c2)cc1 2325705941 AFYCSSIHGAOEFV-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2Cl)C3=O)c1 2325727369 SYZAUFGHDIXYBG-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)CCc3ccccc3)c2)cc1 2325734054 QPJHZVUWXYZEDE-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCC(=O)Nc4cccc(C)c4C)ccc3C2=O)cc1 2325737852 ZPYDXFXDGUEPCA-UHFFFAOYSA-N 443.499 5.336 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(C)c(C)c3)c2)cc1F 2325748083 JBSFUHJYILWROZ-UHFFFAOYSA-N 434.463 5.575 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1OC(=O)Cc1ccc(F)cc1 2325756364 HZPKJKZHTSVGPE-UHFFFAOYSA-N 446.518 6.112 30 10 IKEE CCOc1ccc(CCc2nnc(SCC)n2N=Cc2ccc(CC)cc2)cc1OC 2325889067 KOIAEWSVFWTWQD-UHFFFAOYSA-N 438.597 5.027 30 10 IKEE CCCSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1cccc(C)c1 2325961313 FPCMWYSBWZGBGJ-UHFFFAOYSA-N 429.387 5.324 30 10 IKEE CCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccccc1OCc1ccccc1 2326379960 BQOHZALFAGHSNJ-UHFFFAOYSA-N 442.588 5.902 30 10 IKEE CCCSc1nnc(COc2ccc(OCC)cc2)n1N=Cc1ccc(OCC)cc1 2326689168 VLYCQTJNQHFPKL-UHFFFAOYSA-N 440.569 5.039 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1cccc(OCC)c1 2327576027 GTPPWOOFKOXNAV-UHFFFAOYSA-N 430.961 5.294 30 10 IKEE COc1ccc(CCc2nnc(SCc3ccccc3)n2N=Cc2ccc(F)cc2)cc1 2328577134 WGNMBAVAEUYKDC-UHFFFAOYSA-N 446.551 5.386 30 10 IKEE COc1cccc(CCc2nnc(SCc3ccc(C)cc3)n2N=Cc2ccco2)c1 2328603431 GIBYKVRNCODMHT-UHFFFAOYSA-N 432.549 5.148 30 10 IKEE CCCSc1nnc(COc2cccc(C)c2C)n1N=Cc1ccc(Cl)cc1Cl 2328858298 PQLUEDLPSFUGMB-UHFFFAOYSA-N 449.407 6.165 30 10 IKEE Fc1ccccc1CSc1nnc(C2CCCC2)n1N=Cc1c(F)cccc1Cl 2331071771 JWOIATZFARULEU-UHFFFAOYSA-N 432.927 6.042 30 10 IKEE C=CCSc1nnc(C2CCCC2)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2331081486 OZWMXZSGTMYSKT-UHFFFAOYSA-N 432.549 5.315 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3cccc(Cl)c3)cc2)cc1OC 2331116327 OMQKPIJNCKDOOA-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE O=C(Cc1ccccc1F)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 2331146237 IKNOMTFHNZIKNR-UHFFFAOYSA-N 439.826 5.432 30 10 IKEE CC(C)(C)c1nnc(SCc2c(F)cccc2Cl)n1N=Cc1cccc([N+](=O)[O-])c1 2331416538 IIWIOJDHLXUQNC-UHFFFAOYSA-N 447.923 5.451 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccccn1 2331424896 MDIKCTOVLJCUTJ-UHFFFAOYSA-N 429.516 5.893 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1 2331470085 FXPAMLZQMZLGAG-UHFFFAOYSA-N 436.507 6.283 30 10 IKEE CCCOc1ccc(C=Nn2c(CC(C)C)nnc2SCc2cccc(Cl)c2)cc1 2331470241 VYYXFKOEASCVQU-UHFFFAOYSA-N 443.016 6.093 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2Cl)cc1 2331493267 PPVXYUXELKNDLD-UHFFFAOYSA-N 448.946 6.516 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(Br)c1OC(=O)C(C)C 2331500822 CMHSVOSJGVDFLO-UHFFFAOYSA-N 445.353 6.039 30 10 IKEE COCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1cccc(Cl)c1 2331616561 UHHIRFAVBURRTQ-UHFFFAOYSA-N 425.316 5.045 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)cc2)cc1 2331644710 PEISDHSJYMZZGP-UHFFFAOYSA-N 440.583 6.917 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)c(C)c3)c(Cl)c2)cc1C 2331841129 VJYQMXYLGWZJNS-UHFFFAOYSA-N 448.946 6.698 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1 2331859049 BUVYDSZGUPFTQK-UHFFFAOYSA-N 429.274 6.177 30 10 IKEE O=C(CSc1ccccc1)Oc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1 2331859844 SRBOYLLBGWHBHY-UHFFFAOYSA-N 443.351 6.587 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3)cc2)c2ccccc12 2331864257 HYAZXNTZOKUDDV-UHFFFAOYSA-N 426.443 6.103 30 10 IKEE CC#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C 2333111994 LJUSMSPTDKGAFT-VLVYNESVSA-N 445.647 5.732 30 10 IKEE CC[C@@](C)(CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)N(C)Cc1ccccc1 2339574121 CWNKNRKQKUDRNC-SANMLTNESA-N 435.421 5.439 30 10 IKEE C=C(C)CN1C(=O)[C@H](C)Oc2cc(NC(=O)CC(c3ccccc3)c3ccccc3)ccc21 12169597 JCYNBJOWFCWOAX-FQEVSTJZSA-N 440.543 5.537 30 10 IKEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2 14477043 TVVZGBKXERMXOP-LRAJWGHMSA-N 435.376 5.284 30 10 IKEE CSc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccccc4)nn32)cc1 17099162 IGTPRNKEPAEPKP-NRFANRHFSA-N 434.590 5.314 30 10 IKEE O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1ccccc1C(F)(F)F)Nc1ccccc1N2 21225498 DLOBASVYAVXFQB-FATZIPQQSA-N 440.490 6.746 30 10 IKEE CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)ccc1O 21226895 NZWMMKQPXVFHCP-NGOKVRLYSA-N 440.543 6.079 30 10 IKEE CC(C)Oc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2O)cc1 21240728 LCLXUHBONZSXPB-VKGTZQKMSA-N 440.543 6.159 30 10 IKEE CCCn1cc(CN/C(=N/C(=O)c2cc(C)cc(C)c2)Nc2cc(C)ccc2C)c(C)n1 32972874 JDENLANIXHRTSN-UHFFFAOYSA-N 431.584 5.233 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC(=O)N(c3ccccc3)c3ccccc3)cc2)cc1 34955747 APBFLGIQOCZSSQ-KGENOOAVSA-N 449.506 6.928 30 10 IKEE C=CCOc1cccc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2Cc2ccco2)c1 39910900 LKMBLAXDVQBZHJ-HSZRJFAPSA-N 441.483 5.313 30 10 IKEE CC[C@@H](Sc1cc(-c2ccccc2)nc(C)n1)C(=O)Nc1sc2c(c1C#N)CCCC2 40171949 AXFZQOCFBCQQGK-HXUWFJFHSA-N 448.617 5.773 30 10 IKEE Cc1c(C(=O)N2CCC(C)CC2)oc2c1/C(=N/Nc1cccc(C(F)(F)F)c1)CCC2 40823960 GNAUZCXDVNMJMQ-MTDXEUNCSA-N 433.474 5.631 30 10 IKEE Cc1c(OC(=O)c2ccc(C(C)(C)C)cc2)ccc2c1O/C(=C\c1ccccc1F)C2=O 41288393 WDYXLICYNXPMIA-HAHDFKILSA-N 430.475 6.267 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)Cc4ccc(OC)cc4)cc(C)c3C2=O)cc1 41358204 NJOHXAAPBZANAW-OYKKKHCWSA-N 444.483 5.167 30 10 IKEE O=C(/C=C/C(=O)c1ccc(Br)cc1)Nc1ccc(OCc2ccccc2)cc1 96580359 ODAVPIBZEYHRNP-CCEZHUSRSA-N 436.305 5.406 30 10 IKEE CCN(CC)S(=O)(=O)c1ccc(-c2ccc(/C=C\C(=O)c3ccc4c(c3)CCC4)o2)cc1 98053743 UWMDBPRMVGPJSZ-VBKFSLOCSA-N 449.572 5.362 30 10 IKEE C[C@H]1CCc2c(C#N)c(NS(=O)(=O)c3ccc4ccccc4c3)sc(=S)c2C1 101832934 RBULOPIQAAUOQW-ZDUSSCGKSA-N 426.588 5.428 30 10 IKEE CCCCCCCC(=O)N(CC(=O)N(Cc1ccccc1)Cc1cccs1)C(C)(C)C 102990897 LORSUNNIEQHUSI-UHFFFAOYSA-N 442.669 6.265 30 10 IKEE O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccc(Cl)cc2Cl)/C1=C(/O)c1ccccc1 103093344 KTVQIUIZLKMUFG-LCPUNJGISA-N 439.298 5.010 30 10 IKEE Cc1cccc(CN2c3ccccc3C(=O)/C(=C/Nc3cccc(C)c3C)S2(=O)=O)c1 104402544 MOKIVHYYRCSKMZ-IWIPYMOSSA-N 432.545 5.098 30 10 IKEE CO/C(=N\[C@H](NC(=S)Nc1ccc(C)cc1)C(Cl)(Cl)Cl)c1ccccc1 105248477 LCRUATFDLCXSNI-AJIWAEEYSA-N 430.788 5.071 30 10 IKEE C=CCSc1nc2ccc(/N=C/c3ccc(OCCCCCCCC)cc3)cc2s1 105449921 NHJYMRWWRVBZMQ-LGUFXXKBSA-N 438.662 8.064 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OCC(=O)Nc1ccc(C)cc1 165443274 APXRILXXTXFCAY-RVDMUPIBSA-N 445.515 5.316 30 10 IKEE C=CCn1c(C(=O)Nc2sc(CC)cc2C(=O)OCC)c(C)c2cc(C(C)C)ccc21 169874239 QBZGVNZSKVFBQI-UHFFFAOYSA-N 438.593 6.312 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2cc(C)ccc2C)c1 169933545 WSHMAYCJNUJLCM-OAQYLSRUSA-N 448.544 5.168 30 10 IKEE CC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1c(OCc2ccc(F)cc2)ccc2ccccc12 169936789 QODILUOXGACMBB-XMMPIXPASA-N 434.536 5.282 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1c1ccccc1C 169946143 MPOUDUQGEQHWCA-XMMPIXPASA-N 439.467 5.533 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)C)cc2)[C@@H]1c1ccncc1 170016636 BRTJQEHKRGBWEN-XMMPIXPASA-N 442.515 5.305 30 10 IKEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccccc2)cc1 170055605 YMXJYRSEXACMBB-HSZRJFAPSA-N 447.918 5.517 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2c[nH]c3ccccc23)cc1C 170075519 LMWXYOXOEBXQRV-VWLOTQADSA-N 436.511 5.876 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1c[nH]c2ccccc12)c1cc2ccccc2o1 170077870 IEIJVUHHJNPDNW-DEOSSOPVSA-N 449.466 5.088 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2C2CCCC2)cc1 170117126 PDHWZORLZOGWSC-DEOSSOPVSA-N 449.547 5.312 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccccc2O)c1 170141295 PARJAZIFEYKSSU-QHCPKHFHSA-N 425.440 5.230 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccc(OCC(C)C)cc1 170167468 HYPOWQCBTXKARG-XDHUDOTRSA-N 449.547 5.033 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccccn2)cc1C 170170292 NBPKOKQWRHRYKQ-DEOSSOPVSA-N 442.515 5.188 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccccn2)cc1C 170171996 YBUZLXJZOKPDND-RUZDIDTESA-N 438.527 5.360 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc(OCC)c1 170217748 ALZVADOCCLKCJN-DEOSSOPVSA-N 429.516 5.617 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccccc2)c1C 170225743 KGQFXPUOXPAVFT-VWLOTQADSA-N 441.527 5.874 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1 170230336 XCWQTJLIOFPGQD-HSZRJFAPSA-N 445.515 5.364 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)c(C)c2)[C@@H]1c1ccc(CC)cc1 170268381 ANUWDHVUDUWJKH-VWLOTQADSA-N 449.591 6.115 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccco2)cc1C(C)C 170281530 KCJNUICEUYYKOA-HSZRJFAPSA-N 449.478 5.724 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccco2)cc1C(C)(C)C 170283529 JWUKJYHOKLFFOJ-JOCHJYFZSA-N 447.487 5.074 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC(C)C)cc3)[C@@H]2c2ccco2)cc1C 170285015 CLYKRQAXLSNMKU-DEOSSOPVSA-N 445.515 5.714 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(C(C)C)cc2)cc1O 170408666 FFUBQFCUOINKDW-JOCHJYFZSA-N 449.528 5.369 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(C)cc2C)ccc1OC 170441320 PJYUHYABFHVUQO-JOCHJYFZSA-N 437.536 5.226 30 10 IKEE CC(C)Oc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 170469467 JJPZBLXRXHHDHE-HSZRJFAPSA-N 449.591 6.287 30 10 IKEE CC(C)Oc1ccc(-c2nc(NN=Cc3ccc([N+](=O)[O-])cc3)c3ccccc3n2)cc1 254836492 MAFQAJZHUSHLMX-UHFFFAOYSA-N 427.464 5.438 30 10 IKEE C=C(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)C(=O)C[C@H](O)[C@@]34C)[C@@H]12 257514281 POKGESLRCWHPFR-GOKUURSASA-N 440.712 7.204 30 10 IKEE CC1(C)OB(CCC[C@@H](N)c2ccc(Br)c(Br)c2)OC1(C)C 383816208 DRYNGGSYUSLNBE-CQSZACIVSA-N 432.993 5.084 30 10 IKEE Cc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(OCC(C)C)cc2)cc1 526492330 XMCLCIOIAGDODC-AREMUKBSSA-N 438.527 5.959 30 10 IKEE CCCCOc1ccc([C@@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526521072 KRGPUXPUGWNYPZ-AREMUKBSSA-N 438.527 6.103 30 10 IKEE CCOc1cc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2C#N)ccc1O 526606207 IWROALGADGAMHU-HSZRJFAPSA-N 446.890 5.373 30 10 IKEE CC(C)c1ccc(NC2=C(SCc3ccco3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 526645224 GBSOHNYPCNJWRJ-UHFFFAOYSA-N 443.528 5.405 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1cc(OC)ccc1OC 526807919 GAUSCPVOQJJNQP-OYKKKHCWSA-N 444.988 5.466 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1ccc(OCC)c(OC)c1 526811054 ABMXTDQVDIIVRJ-MYYYXRDXSA-N 438.597 5.429 30 10 IKEE CC(C)COc1cccc(/C=N\n2cnnc2SCc2ccc(Br)cc2)c1 526820310 ZVSUVJYZELTDBQ-KSEXSDGBSA-N 445.386 5.250 30 10 IKEE CCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1cc(Cl)c(O)c(Cl)c1 526822873 OUSXOOBZTQUWOA-MYKKPKGFSA-N 446.363 5.289 30 10 IKEE CSc1cccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 586217784 IWCOWXZSDVTAGL-UHFFFAOYSA-N 428.966 5.329 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@@H](C#N)c1ccc(F)cc1Br 710816896 YWJUIUFORQMMGO-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE Cc1ccc(COc2ccc(C=Nc3ccc(-c4nc5ccc(C)cc5s4)cc3)cc2)cc1 725447722 JAUWLEQJHJNKQW-UHFFFAOYSA-N 448.591 7.910 30 10 IKEE Cc1ccc(Cn2nc(C)c(/C=C/C(=O)c3ccc(C(F)(F)F)nc3O)c2Cl)cc1 731564414 DRCQVAZXRJEZIN-VQHVLOKHSA-N 435.833 5.217 30 10 IKEE Cc1ccc(-c2nc(N=Cc3ccc(Br)cc3)sc2-c2ccccc2)cc1 1084353061 UPKBRLRFYNLUJR-UHFFFAOYSA-N 433.374 7.299 30 10 IKEE Cc1ccc(/N=C2/S/C(=C/c3cn(C)c4ccccc34)C(=O)N2c2ccc(C)cc2)cc1 1614805844 NIWZUFQUYCBEGF-VFHZPEHISA-N 437.568 6.604 30 10 IKEE C=CCCCN(CC)C(=O)CSCc1nc(O)c2c(-c3ccccc3)csc2n1 1616680612 HKZMSLPRTDCTRL-UHFFFAOYSA-N 427.595 5.112 30 10 IKEE O=C1/C(=C/c2cccc3ccccc23)SC(=Nc2ccncc2Cl)N1c1ccccc1 1772734385 CWOIIWVSRVWRAV-FISJVANTSA-N 441.943 6.697 30 10 IKEE O=C(ON1C(=O)c2ccccc2C1=O)c1cc(Cl)ccc1Oc1cccc(Cl)c1 1772792380 LSYDISPENPQHQG-UHFFFAOYSA-N 428.227 5.154 30 10 IKEE Cc1cccc(NC(=S)N/N=C\c2cn(-c3cccc(C)c3)nc2-c2ccc(F)cc2)c1 1857809428 RCCIKPXWGXBEQA-DICXZTSXSA-N 443.551 5.616 30 10 IKEE COc1ccc2[nH]c(C(=O)Nc3oc(-c4ccccc4)c(-c4ccccc4)c3C#N)cc2c1 1859485978 GOJWVRAJXSCZLT-UHFFFAOYSA-N 433.467 6.227 30 10 IKEE C[C@H]1CCCC[C@H]1N(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 1859951332 XTHPHKMPTUZZIG-ORAYPTAESA-N 447.394 7.089 30 10 IKEE O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(c1ccc(F)cn1)C1CCCCC1 1860434530 YBAWRMHNEPBINT-UHFFFAOYSA-N 434.355 6.238 30 10 IKEE Cc1cc(C)c(NC(=O)CSc2nc(O)c(C#N)c(-c3cccc(Cl)c3)n2)c(C)c1 1860463612 JYUXQZFKJHBNGF-UHFFFAOYSA-N 438.940 5.030 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCC(C)C)c1 1862418472 JKHCYSBOJCYKPD-JOCHJYFZSA-N 443.490 5.378 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCc2ccc(F)cc2)cc1 1862429552 PPVCUSHJQQALGR-HSZRJFAPSA-N 449.909 5.609 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1 1862442339 IAZKJVOXQDHBCO-JOCHJYFZSA-N 443.946 6.418 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862479043 XJKFQQNZTQJDEA-XMMPIXPASA-N 433.548 5.695 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2cccc(C)c2)c1 1862489635 FBFOORHNARXPEJ-VWLOTQADSA-N 425.528 5.699 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccccc2)cc1 1862507677 QPNMDDNMRDDWFR-BVZFJXPGSA-N 443.518 6.036 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cc(Cl)cc(Cl)c1 1862508561 LDJQYZOJUDRXMI-HXPMCKFVSA-N 436.310 5.818 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccccc1Br 1862513109 YLFALPCMXGOZNM-ORAYPTAESA-N 446.316 5.273 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2cccc(C)c2)cc1 1862534559 VWLMYXGFLGKXRF-HSZRJFAPSA-N 431.557 5.440 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(Cl)cc1 1862556709 COGOOHABJCVEOC-UNMCSNQZSA-N 440.971 5.859 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2cccc(F)c2)cc1 1862614961 GETXGCAHBUEUID-HSZRJFAPSA-N 444.506 5.297 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccccc1F 1862615622 LDPJZZDFRYWKOD-JOCHJYFZSA-N 439.527 5.128 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(OCCC)cc1 1862622315 HLGRFZOUZVDAOW-DEOSSOPVSA-N 449.591 6.151 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862666346 BNOZIPOQHHTKGE-DEOSSOPVSA-N 433.592 6.486 30 10 IKEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCC(C)C)cc1 1862667334 YOTWCPBUBXMHSV-HSZRJFAPSA-N 449.547 5.221 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccc(C)cc2)c1 1862699928 ZNEHPHVOVGRFLG-DEOSSOPVSA-N 431.532 5.472 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2C2CC2)cc1 1862726949 SNAJXVBRKWQCQB-VWLOTQADSA-N 439.511 5.493 30 10 IKEE C=CCN1C(=O)C(Nc2cccc(OCCC)c2)=C(c2cc(Cl)ccc2Cl)C1=O 1863381699 BFLVAFFQVAAIDT-UHFFFAOYSA-N 431.319 5.160 30 10 IKEE CCc1nc(Nc2ccc(C#N)cc2)cc(N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)n1 1868291885 YDVRFOJNTASWKU-HSZRJFAPSA-N 425.580 6.293 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)cc2)c(=O)cc1CSc1ccc(Cl)cc1 1870261347 JKEGXSXQJZITEU-UHFFFAOYSA-N 432.372 6.212 30 10 IKEE CCCCCCCCn1cc(OCCOC(C)C)c(=O)cc1CN1C[C@H](C)C[C@@H](C)C1 1870541021 ZLCTZHANWPSSDC-DHIUTWEWSA-N 434.665 5.491 30 10 IKEE C=CCn1cc(OCc2c(C)noc2C)c(=O)cc1CN(CCCC)CCCCCC 1870563295 UKPGMJMDOQPHIE-UHFFFAOYSA-N 429.605 5.401 30 10 IKEE CCCCCCCCn1cc(OCCCOc2ccccc2)c(=O)cc1CN1CCCC1 1870635675 WJSXUAXRASCYPT-UHFFFAOYSA-N 440.628 5.653 30 10 IKEE C=CCOc1cn(Cc2cccc(C)c2)c(CNc2cc(C(C)C)cc(C(C)C)c2)cc1=O 1870809847 YJTGRHSKYRVTST-UHFFFAOYSA-N 444.619 6.629 30 10 IKEE C=CCOc1cn(Cc2ccccn2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870812050 NCIYYFUSCWFEOH-UHFFFAOYSA-N 438.531 5.212 30 10 IKEE C#CCOc1cn(CCCCCCCC)c(CNc2ccc(CC)c([N+](=O)[O-])c2)cc1=O 1871007337 XBJDYUFKNJDVNJ-UHFFFAOYSA-N 439.556 5.304 30 10 IKEE CCCCCCCCn1cc(OCCCCCC)c(=O)cc1CNc1cc(C)cc(C)c1 1871125309 VBNRZGRTELWWMI-UHFFFAOYSA-N 440.672 7.397 30 10 IKEE COc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(CCc3ccccc3)C4)C2=O)cc1 1871349085 TVQFDQRPBDCDGJ-OYKKKHCWSA-N 427.500 5.014 30 10 IKEE CCOCCCN1COc2c(cc3c(c2C)O/C(=C\c2ccc(Cl)cc2Cl)C3=O)C1 1871355695 GWZYXIAPTXMNQK-JMIUGGIZSA-N 448.346 5.497 30 10 IKEE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccs2)C3=O)cc1OC 1871366463 GQKGTINKKAVZLA-XNHXLOTDSA-N 448.496 5.309 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(OC)c2)C3=O)CC1 1871383608 VJPNMUXZMGNILQ-XYGWBWBKSA-N 434.532 6.213 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2C)C3=O)c(OCC)c1 1871386591 CUFLAQJQZYKQJR-QFEZKATASA-N 444.483 5.628 30 10 IKEE CC(C)(C)c1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCCC[C@H]3CCO)C2=O)cc1 1871396136 RECBZTJJKNRHKI-RNLRLKOUSA-N 435.564 5.043 30 10 IKEE C[C@@H]1CCCN(Cc2c(O)ccc3c2O/C(=C\c2ccc(Br)cc2)C3=O)C1 1871396547 MCXLAWNVTPQCLI-LPKQHDGYSA-N 428.326 5.003 30 10 IKEE Cc1c(OCCOc2ccccc2)ccc2c1O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 1871397011 FEBRXVCFVTUHHY-RRAHZORUSA-N 448.518 6.736 30 10 IKEE Cc1c(OCCCc2ccccc2)ccc2c1O/C(=C\c1cccc(Br)c1)C2=O 1871399441 KQWVJULSQYMFRC-KQWNVCNZSA-N 449.344 6.385 30 10 IKEE CCc1ccc(OCCCOc2ccc3c(c2C)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871412857 IDFCPMBONLWNQS-UQQQWYQISA-N 448.946 6.675 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)N[C@H](C)c4ccccc4)cc(C)c3C2=O)cc1 1871424205 BAMVSVZOCOFMPB-QHSFOXILSA-N 427.500 5.176 30 10 IKEE COc1ccc(C)cc1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O 1871428882 YWYJWFXZDWJVGN-FMCGGJTJSA-N 449.890 5.291 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2cccs2)C3=O)c(Cl)c1 1871435731 ABRGIAKTCIQLGI-JAIQZWGSSA-N 439.920 5.652 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccc(Cl)cc4C)c3C)C2=O)c1 1871454697 RRHIOMKOBDXFCV-QRVIBDJDSA-N 447.918 5.899 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O)Nc1ccccc1Cl 1871455470 NTIFKGQMDNVJMH-NHDPSOOVSA-N 440.282 5.627 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4c(C)cc(C)cc4C)cc(C)c3C2=O)cc1 1871458146 BILSJBKDDYVQRC-CFRMEGHHSA-N 441.527 5.862 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCc4cc(=O)oc5ccc(C)cc45)ccc3C2=O)c1 1871460618 WEKYBNGHYZUXKC-ROTLSHHCSA-N 440.451 5.305 30 10 IKEE CCCCCCCCCCN=c1nc(N(CC)CC)[nH]c(=Nc2cc(C)cc(C)c2)[nH]1 1871549375 VXBGJHHWYALEQF-UHFFFAOYSA-N 426.653 5.475 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(Cc3ccccc3)cc2)[nH]c(N(C)C)n1 1871659385 LDFLPKVIHJCTJT-UHFFFAOYSA-N 432.616 5.466 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(CC)cc1)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872081170 ZCTANWSHCAXKMV-DEOSSOPVSA-N 442.625 5.096 30 10 IKEE CC(C)c1ccccc1O[C@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872774150 ILQULFOBFOEUQZ-VQIMIIECSA-N 448.544 5.348 30 10 IKEE COc1cccc(OC)c1C(=O)[C@H](C#N)c1nc(-c2cc(C(C)(C)C)ccc2C)cs1 1872785197 HYWRQXSXWSALLT-SFHVURJKSA-N 434.561 5.923 30 10 IKEE CCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1 1872788669 NUYTZVBZUWZCEA-OAQYLSRUSA-N 428.513 5.861 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(CCCC)cc2)cc2c(NCCCCCC)ncnc21 1873638729 ICXIQIJPJZODQR-UHFFFAOYSA-N 433.600 6.204 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccccc1CC)n2Cc1ccco1 1873661727 CEVOQFGEZZDYLI-UHFFFAOYSA-N 441.535 5.066 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](C)Oc1ccc2c(C)c(CC)c(=O)oc2c1C 1873935254 NASORJYYNYINPN-HXUWFJFHSA-N 429.601 5.996 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(C)cc1 1874205030 GHRHQZMOTXTUKU-FSJBWODESA-N 433.364 5.633 30 10 IKEE CCCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccc(OC)cc1 1874214187 ZXATWBPDAPVHSU-LFVJCYFKSA-N 444.988 5.336 30 10 IKEE C=CCSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874258664 CFOKVRWKPYSINB-OVVQPSECSA-N 448.636 6.267 30 10 IKEE Cc1ccc(OCc2nnc(SCCc3ccccc3)n2/N=C/c2cccs2)c(C)c1 1874327941 OYMIICRHQJFRBP-PCLIKHOPSA-N 448.617 5.752 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2/N=C/c2cccnc2)cc1 1874351143 WETFBMPFUROBPU-CVKSISIWSA-N 449.967 5.100 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccccn2)cc1C 1874357042 MONXCNCOBZUPFZ-JFLMPSFJSA-N 431.540 5.194 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2C)n1/N=C/c1cccc(OCCC)c1 1874362574 LLWRMFMHFIPBFS-YZSQISJMSA-N 434.609 5.711 30 10 IKEE Cc1ccccc1/C=N/n1c(Cc2ccc(F)cc2)nnc1SCCc1ccccc1 1874380918 RKKLCYQKLRLGSM-OVVQPSECSA-N 430.552 5.533 30 10 IKEE Clc1cccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccncc2)c1 1874408611 GIPZBCSJSMHCGV-MFKUBSTISA-N 425.989 5.624 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2-c2ccccc2)cc1 1874426923 IEXQWLVDSOPUPJ-OVVQPSECSA-N 442.588 6.217 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C(F)(F)F)c1 1874462204 MJVWTUSRXYNBFY-AUEPDCJTSA-N 426.851 5.133 30 10 IKEE CCCSc1nnc(C(C)(C)C)n1/N=C/c1ccc(OCc2ccccc2)c(OC)c1 1874484683 IRLRJGZOHSTRTR-PCLIKHOPSA-N 438.597 5.548 30 10 IKEE Fc1ccc(CSc2nnc(C3CCC3)n2/N=C/c2ccc(Br)cc2)cc1 1874494897 KCTCSZGSHROBOL-FSJBWODESA-N 445.361 5.622 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CCC2)cc1 1874497140 WYSNFXHHVYESMU-MFKUBSTISA-N 441.000 6.162 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc(Br)cc1 1874510627 RSRLEQWQIWZMDS-WSDLNYQXSA-N 449.805 5.821 30 10 IKEE Cc1ccccc1CSc1nncn1/N=C/c1ccccc1OCc1ccccc1Cl 1874534544 NXGVWFAANWIZLV-MZJWZYIUSA-N 448.979 5.993 30 10 IKEE COc1cccc(C(=O)/C=C/c2c(OCC(=O)NC3CCCCC3)ccc3ccccc23)c1 1874572471 OTYIOIGXWRIWHY-FOCLMDBBSA-N 443.543 5.572 30 10 IKEE COc1cccc(/C=C/C(=O)c2c(C)cc(C)cc2C)c1OCC(=O)NCc1ccccc1 1874590124 UIMQLWHSXNQINH-BUHFOSPRSA-N 443.543 5.212 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OCc1ccc(F)cc1 1874602867 DCFFCKJFAUDVPW-OQLLNIDSSA-N 426.487 6.853 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)OCC(C)C)c(OCC)c2)cc1 1874607588 VFLGCOGSKNATSQ-RVDMUPIBSA-N 438.564 5.902 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc(OC)c1OCC(=C)C 1874627255 OWLLMLRBYHEFIC-VAWYXSNFSA-N 434.576 6.715 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 1874629884 ZQQAFYGDZHMEKK-AWNIVKPZSA-N 433.479 5.365 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1C 1874637864 VUVZIRLHYURNIF-YRNVUSSQSA-N 436.935 6.449 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1OC(=O)c1ccccc1OC 1874704530 TYTRBEGUIPPYLG-ZRDIBKRKSA-N 432.472 5.136 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)c2cccs2)c1 1874711810 IPIWXZFESVRSKY-BQYQJAHWSA-N 433.312 6.179 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccccc3-c3ccccc3)c2)cc1C 1874714234 LEZLQGYKHVLPHS-FBMGVBCBSA-N 432.519 7.086 30 10 IKEE COc1ccccc1C(=O)Oc1cccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)c1 1874718544 PATVQQXQEBFJTH-JQIJEIRASA-N 438.479 5.972 30 10 IKEE CCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1Br 1875078017 AECRJQIAYHZGGP-OQLLNIDSSA-N 449.344 6.718 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(OC)c3)cc2)cc1 1875098445 BAAGMQFLDLIWAQ-OVCLIPMQSA-N 446.499 5.147 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Br)cc2)ccc1OC(=O)C1CCCC1 1875110966 MAXORWAWXGTHGE-WUXMJOGZSA-N 429.310 5.449 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC(=O)CCCC 1875132995 YVFXCSVASBDWIZ-FMIVXFBMSA-N 447.358 6.722 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCOc3ccccc3)c([N+](=O)[O-])c2)cc1 1875135891 NLXYIAQJWKODKA-UKTHLTGXSA-N 431.444 5.174 30 10 IKEE CCCCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2cc(C)ccc2C)cc1OC 1875140640 PUUQARKQFKEBCZ-ZHACJKMWSA-N 445.353 6.066 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1ccccc1F 1875145891 YEHKRKASELHTDB-ZRDIBKRKSA-N 434.463 5.657 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1OCC 1875166814 UPGUIUFNKBFQRE-NTCAYCPXSA-N 438.564 6.483 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)CC)c(Br)c2)c1 1875172252 LNULDLVKUMGJRB-JXMROGBWSA-N 447.325 5.458 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)c1ccccn1 1875190380 HGVMCGXVVCJTDX-WEVVVXLNSA-N 428.271 5.512 30 10 IKEE N#Cc1cc(C(=O)NCCSc2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)ccn1 1891588993 GHBAXZVYZOHXSR-UHFFFAOYSA-N 432.936 5.277 30 10 IKEE C=CCC(CC=C)OC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 1899332179 MNAQEMJWKYALOA-SANMLTNESA-N 447.575 6.004 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@](O)(CC)c1cccc(Br)c1 1922112413 MOBCCYODRWELRT-PKTZIBPZSA-N 432.402 5.188 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)C(C)(C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1922123509 AOFAXBXNVVPKOV-XZOQPEGZSA-N 430.633 5.411 30 10 IKEE CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(CC1CC1)C(=O)OC(C)(C)C 1944806528 NCCOGVCICCAFJX-NTKDMRAZSA-N 435.609 5.199 30 10 IKEE CCC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 1945773226 NMMVETKKCTUTFD-VQIMIIECSA-N 435.540 5.400 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@]1(C#N)CCN(Cc2ccccc2)CC1(C)C 1949309072 SSINOYLDRHBQKT-AREMUKBSSA-N 425.617 5.751 30 10 IKEE C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1949712958 FPYSDBJQBBNPLY-PMACEKPBSA-N 439.625 5.536 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1999937479 BJLYCARCFBVZFC-MWTRTKDXSA-N 449.979 5.621 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C2(CC2)C1 2013250120 LZQZYMQPOHYTDV-DEOSSOPVSA-N 433.593 5.240 30 10 IKEE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@@H](C#N)c1cc(Cl)cc(Br)c1 2027901950 RZBVULBQUHFYOU-HOTGVXAUSA-N 429.742 5.083 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2cccc(NC(=O)OC(C)(C)C)c2)cc1 2031660567 OJWMNKVNCTZXSH-OAQYLSRUSA-N 437.540 6.348 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)C3CCCCC3)[C@H]2C1 2032060380 NWVBMABXNWCIIY-KHOMTPLRSA-N 447.620 5.486 30 10 IKEE C=C1C(=CC=C2CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)C=C[C@H](C)C(C)(C)O)C[C@@H](O)C[C@@H]1O 2053528697 ZGLHBRQAEXKACO-BHMYGTBKSA-N 428.657 5.727 30 10 IKEE COc1ccc(C=CC(=O)c2c(O)nc3ccc(C)cc3c2-c2ccccc2)c(OC)c1 2053587646 TXLGTBYZHLTLKB-UHFFFAOYSA-N 425.484 5.829 30 10 IKEE CC#CCCC[C@H](N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2073675664 GVKCBNXNFMOTKG-LSYYVWMOSA-N 429.560 5.399 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]12[C@@H](NC(=O)OC(C)(C)C)[C@H]3CC[C@H]1[C@H]2C3 2076924661 HDHWEZMYYUNGGL-REBLHZHGSA-N 440.628 5.067 30 10 IKEE CC(C)(C)OC(=O)c1nn(Cc2cc(F)ccc2C(F)(F)F)c(C(F)(F)F)c1Cl 2079180811 BVBRQZHADGPPEK-UHFFFAOYSA-N 446.750 5.717 30 10 IKEE CC(C)[C@@H](c1ccc(C(F)(F)F)cc1F)n1nc(C2CC2)c(C=NO)c1Br 2079903894 OOSDAXNTNXYGBX-INIZCTEOSA-N 448.258 5.734 30 10 IKEE CC(C)c1ccc([C@H](C2CCC2)n2nc(C3CC3)c(C#N)c2I)cc1 2079935167 WTJKWHUFDFEYTI-FQEVSTJZSA-N 445.348 5.750 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCC)c2cccc(Br)c2Cl)C1 2081410246 YLSVMMQGEXAPQK-MRXNPFEDSA-N 429.786 5.367 30 10 IKEE COc1c2c(nc3c(-c4c(F)c(F)c(F)c(F)c4F)c(C(F)F)nn13)CCCCC2 2081412035 LXHADHHATNXAAF-UHFFFAOYSA-N 433.327 5.307 30 10 IKEE CCCCC#CC[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NC 2083434377 RCPUQZZAYQLSDT-DEOSSOPVSA-N 441.660 5.108 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cccc(Br)c1Cl 2136572272 ZRAOIVGESFGTQY-WMZOPIPTSA-N 443.813 5.450 30 10 IKEE CC1(C)OB(c2cc(NC(=O)c3cc(Cl)c(Cl)s3)ccc2Cl)OC1(C)C 2156094779 QTWWSROTABYKHX-UHFFFAOYSA-N 432.565 5.260 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1cc(Br)ccc1OC(F)F 2164222738 VMIZXJHELGLWFD-HXUWFJFHSA-N 440.328 5.864 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)C1([C@H]2CCCCO2)CC1 2164402339 ROVKWEWQEKGAFE-ZWKOTPCHSA-N 435.362 5.432 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](Cc2ccc(F)c(Br)c2)NCCC)C1 2197758134 ZXWHGANYGNEHPH-GOSISDBHSA-N 441.385 5.112 30 10 IKEE C=CCN(CC(=C)Br)C(=O)c1cc(Cl)cc(C)c1NC(=O)OC(C)(C)C 2232115559 ZYWFLRWAGUSYNJ-UHFFFAOYSA-N 443.769 5.532 30 10 IKEE CN(C(=O)OC(C)(C)C)C1(C[C@@H](O)C#Cc2ccccc2Br)CCCCC1 2235740403 OJPWBLUUQSXKFL-SFHVURJKSA-N 436.390 5.121 30 10 IKEE CCCCCCC[C@H](NC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237408058 ZQNWEMNZDDWBEO-PMACEKPBSA-N 441.454 5.833 30 10 IKEE C[C@@H](N(Cc1ccccc1)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(C)(C)C 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5.610 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=Nc1cccc(C)n1 2314540135 JRSQVKVGZIRCRH-UHFFFAOYSA-N 446.488 5.348 30 10 IKEE O=C1C(=Cc2cccs2)SC(=NN=Cc2cc(Cl)ccc2O)N1Cc1ccco1 2314840967 LRTIVFMWJQSZIR-UHFFFAOYSA-N 443.937 5.207 30 10 IKEE Clc1ccc(CSc2nncn2N=Cc2ccc(Br)cc2)cc1Cl 2321323538 VSRGTVNCCCCZCV-UHFFFAOYSA-N 442.169 5.522 30 10 IKEE COc1ccc(C=C2Oc3cc(OCc4ccc([N+](=O)[O-])cc4)cc(C)c3C2=O)c(OC)c1 2321851220 CFTIXDAWQXDPNP-UHFFFAOYSA-N 447.443 5.116 30 10 IKEE COc1ccccc1CN1COc2cc(C)c3c(c2C1)OC(=Cc1ccccc1F)C3=O 2321993652 QMKQDOODHJPCRN-UHFFFAOYSA-N 431.463 5.111 30 10 IKEE Cc1cccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCCc2ccccc2)C4)c1 2322214588 MFTLFZSMMGVVMY-UHFFFAOYSA-N 425.528 5.704 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2ccccc2CC)cc1 2322362664 JNLXWWZLFALMLL-UHFFFAOYSA-N 447.962 6.378 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Br)ccc2OCc2cccc(F)c2)cc1C 2322884722 AJPPJQXDGICQAA-UHFFFAOYSA-N 439.324 6.680 30 10 IKEE COc1cccc(C=CC(=O)c2c(C)cc(C)cc2C)c1OCC(=O)Nc1ccccc1F 2322952902 CFJLGERDAFCQTI-UHFFFAOYSA-N 447.506 5.673 30 10 IKEE Cc1cccc(COc2ccc3ccccc3c2C=CC(=O)c2cc(C(C)(C)C)ccc2C)c1 2322953245 QUKFWJWAGMHLPS-UHFFFAOYSA-N 448.606 8.229 30 10 IKEE COC(=O)COc1ccc2ccccc2c1C=CC(=O)c1cc(Cl)c(OC)c(Cl)c1 2322969325 DAWRGULERLFDIV-UHFFFAOYSA-N 445.298 5.603 30 10 IKEE CCCCCCCCCOc1ccc(C=NNc2nc(O)cc(CC)n2)cc1OCC 2323231755 KJQWIFBMQQXFCR-UHFFFAOYSA-N 428.577 5.719 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc(F)cc3)c(Cl)c2)cc1OC 2323441949 XBOZXWRMBNGGGH-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1OC 2323460645 QJINWMJERMKDNO-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2OCC)C3=O)cc1 2323816002 NFIJTVQCAWEIJA-UHFFFAOYSA-N 444.483 5.710 30 10 IKEE CCCOc1ccc(C=NNc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1OCC 2323850846 QRWNQEYUBGKPSM-UHFFFAOYSA-N 441.553 5.461 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OCC(=O)N[C@H](C)c1ccccc1 2323915072 IDXSJWHOUIXTQK-OAQYLSRUSA-N 443.543 5.546 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OCc3cc(C)ccc3C)cc2)cc1C(C)C 2324261866 LYWSYFUAGQXONZ-UHFFFAOYSA-N 428.572 7.219 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OCc2ccc(C)cc2)c([N+](=O)[O-])c1 2324373416 OFPSMBYDGPHTAB-UHFFFAOYSA-N 431.488 6.004 30 10 IKEE Cc1ccccc1C=C1Oc2cc(O[C@H](C)C(=O)Nc3ccccc3C)cc(C)c2C1=O 2324412985 SNXLHOBNLABXPY-LJQANCHMSA-N 427.500 5.634 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OCc1ccc(C)cc1 2324455858 LJVPWLJCYNUTCH-UHFFFAOYSA-N 426.556 6.824 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c(C)c1 2324545991 PFWKORJBSRWNPU-UHFFFAOYSA-N 435.907 6.649 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1OC(=O)c1sccc1C 2325701056 IGZPKUIRTXSPJA-UHFFFAOYSA-N 432.541 6.059 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccccc1Cl)C2=O 2325714250 BGHHOSYAPIXPIW-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc4c(c3)OCO4)c2)c(C)c1C 2325755707 IFTKABWDCUPLTH-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE CCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1c(F)cccc1Cl 2326991985 AKZPILNWTDIIQJ-UHFFFAOYSA-N 432.952 5.385 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3C)n2N=Cc2cccs2)c(C)c1 2328880169 YBHIXCMYOAWWLI-UHFFFAOYSA-N 448.617 6.018 30 10 IKEE CCCOc1cccc(C=Nn2c(CCc3ccc(C)c(C)c3)nnc2SCCC)c1 2328965505 PZNUXPBNGMLYGC-UHFFFAOYSA-N 436.625 5.853 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccccc3Cl)n2N=Cc2ccccc2F)c1 2329551559 ONHNTFJTGOWURT-UHFFFAOYSA-N 436.943 6.221 30 10 IKEE CCCSc1nnc(-c2ccccc2Cl)n1N=Cc1c(Cl)cccc1Cl 2329603020 IKKTUSWCWBTMSO-UHFFFAOYSA-N 425.772 6.290 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2ccccc2[N+](=O)[O-])cc1 2329990131 BYXMSBTTZVNMDR-UHFFFAOYSA-N 443.532 5.260 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cc(C)ccc3C)n2N=Cc2ccccc2F)cc1 2329995332 DGJNHGYEZQFVKF-UHFFFAOYSA-N 444.579 6.108 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3Cl)n2N=Cc2ccc(O)cc2)cc1 2330002295 LHJVSQVSCRAZIL-UHFFFAOYSA-N 448.979 5.711 30 10 IKEE Cc1ccc(CSc2nnc([C@H](C)c3ccccc3)n2N=Cc2cc(C)ccc2O)cc1 2330050957 GZMXHZFHRFKTTG-HXUWFJFHSA-N 442.588 5.927 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(O)cc1O 2330066232 YOKQFBRXVXHODP-INIZCTEOSA-N 448.523 5.155 30 10 IKEE CCCCCCC(=O)Oc1c(OC)cc(C=CC(=O)c2ccc(OC)c(C)c2)cc1OC 2330858189 GYYYMPYNXDUQBK-UHFFFAOYSA-N 440.536 5.793 30 10 IKEE Clc1ccccc1C=Nn1c(SCc2ccccc2Cl)nnc1[C@H]1CCCO1 2330965670 OCXYUCGORICALC-GOSISDBHSA-N 433.364 5.611 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3[nH]c4ccc(C)cc4c3C)cc2)cc1 2331190133 KROGKYTXGZUUAG-UHFFFAOYSA-N 439.511 6.299 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1cnc(C)cn1 2331503906 UIWLDLVWTNBGQV-UHFFFAOYSA-N 430.504 5.422 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)cc([N+](=O)[O-])c1OC(=O)C(C)C 2331624904 OMXDSDMOGQKOCW-UHFFFAOYSA-N 441.480 5.076 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1OC(=O)c1ccco1 2331640656 LHFIEVFRZNFQMY-UHFFFAOYSA-N 438.907 6.291 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1OC(=O)CC(C)(C)C 2331641495 ASAGYZOVRNWXGF-UHFFFAOYSA-N 442.983 6.820 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1ccc(Cl)cc1 2331657393 AXOVBPVIEAQHPJ-UHFFFAOYSA-N 448.946 6.698 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)CCCSC 2331673435 KPXFGZZFRAYUGG-UHFFFAOYSA-N 428.550 5.265 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)c3ccccc3C)cc2)c1 2331673980 PBDBHLVCGFRBOJ-UHFFFAOYSA-N 430.500 5.908 30 10 IKEE CCSc1nnc(C(C)C)n1N=Cc1ccc(OCCCc2ccccc2)c(OC)c1 2331691782 LDKMGTOTMDSHJF-UHFFFAOYSA-N 438.597 5.416 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)C3CC3)c(Br)c2)cc1Cl 2331819234 VBUPXMQGNZPNIZ-UHFFFAOYSA-N 435.701 5.323 30 10 IKEE CC#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C 2333111993 LJUSMSPTDKGAFT-NJGDAFANSA-N 445.647 5.732 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)ccc1OC 2364626125 WXVMLWVUKATVPQ-HKUYNNGSSA-N 441.410 5.358 30 10 IKEE Cc1c([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)ccc(Cl)c1Cl 2366091626 IDODUUUZTHLQRI-KRWDZBQOSA-N 425.743 6.962 30 10 IKEE CN1/C(=C2\S/C(=N\Cc3ccccc3)N(c3ccc(F)cc3)C2=O)Sc2ccccc21 15944993 RFEVNYPIKBENJP-YEPYMOEBSA-N 447.560 5.873 30 10 IKEE C=CCn1c(SCc2ccc(C(=O)Nc3ccc(OC)cc3)cc2)nnc1-c1ccco1 29550659 YBEMJRGILRPQKE-UHFFFAOYSA-N 446.532 5.277 30 10 IKEE C=CCOc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(C)cc3s2)cc1 33271490 YZVJAHKIUBMVHT-GOSISDBHSA-N 430.533 5.138 30 10 IKEE COc1ccc(/C=C(/C(=O)c2ccc(OC(C)C)cc2)c2nc3ccccc3o2)cc1OC 33530293 CZRLFMHIINUUNG-QNGOZBTKSA-N 443.499 6.056 30 10 IKEE O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(-c2ccccc2Cl)o1 33568138 LHJCHHSBLPZYMO-CSKARUKUSA-N 443.713 8.063 30 10 IKEE C=CCN(Cc1csc(COc2cccc(C)c2C)n1)C(=O)c1ccc(Cl)cc1 36031730 UYPXNJHWRLFXGN-UHFFFAOYSA-N 426.969 5.821 30 10 IKEE CN1CCc2nc(SCc3ccccc3Cl)c(C#N)c(-c3ccc(Cl)cc3)c2C1 40570017 PUEWEKLXAHSHCG-UHFFFAOYSA-N 440.399 6.207 30 10 IKEE COc1ccccc1CN1COc2c(cc3c(c2C)O/C(=C\c2ccccc2C)C3=O)C1 41587938 VCLSNIJTLTXGJD-CFRMEGHHSA-N 427.500 5.280 30 10 IKEE CC(C)Oc1ccc([C@@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccccc4)nn32)cc1 54642287 AGYJQPBBBYCYSL-HSZRJFAPSA-N 446.576 5.380 30 10 IKEE CCOC(=O)c1sc(/N=C/c2ccc3c(c2)c2ccccc2n3CC)c(C(=O)OC)c1C 59461211 ROUUVKMNAPRWHT-VULFUBBASA-N 448.544 5.898 30 10 IKEE Cc1nnc([C@@H](C)Sc2n[nH]c(N/N=C/c3c4ccccc4cc4ccccc34)n2)o1 59879669 QTSKCFJPYZYNOG-GHONEHJGSA-N 429.509 5.102 30 10 IKEE CCCCCCCCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(F)cc2)c1 98021553 HQEDDAJEWFFFQV-DEOSSOPVSA-N 428.573 6.293 30 10 IKEE CCCCCCCCCCCCCCCCn1c(-c2ccc(C)cc2)nc2ccccc21 102195542 LAXBVTLCWCXSJZ-UHFFFAOYSA-N 432.696 9.493 30 10 IKEE CCCCCCCCCCCCNC(=O)c1coc(-c2cnn(-c3ccccc3)c2N)n1 102435956 FKJLVBAXRYJTCQ-UHFFFAOYSA-N 437.588 5.760 30 10 IKEE CCCCCCCC(=O)NN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 103991793 JWFURPRJMADYPO-NTCAYCPXSA-N 441.416 5.042 30 10 IKEE CCCCCCCCN(CCCCCCCC)C(=O)C(c1ccccc1)c1ccccc1 104777766 KWFAXMBUEGTUQB-UHFFFAOYSA-N 435.696 8.368 30 10 IKEE COc1ccc(-c2ccc(OC(=O)C(F)(F)N(C(F)(F)F)C(F)(F)F)cc2)cc1 106303341 ZBQUBBLSBWOQAT-UHFFFAOYSA-N 429.263 5.202 30 10 IKEE COc1ccc(N/N=C/c2cc(OC)c(OCc3ccccc3)c([N+](=O)[O-])c2)cc1Cl 169877272 ZANOMUPABJODAB-ZMOGYAJESA-N 441.871 5.290 30 10 IKEE CCCCc1nnc(S)n1/N=C\c1ccc(OCc2cccc(Cl)c2)c(OC)c1 169911128 FJBFBRMYCBRRFK-QRVIBDJDSA-N 430.961 5.033 30 10 IKEE CCCN1C(=S)N[C@@H](c2ccccc2OCc2ccccc2Cl)C2=C1CCCC2=O 169930204 UAFXFPXSIXBBGY-QHCPKHFHSA-N 440.996 5.567 30 10 IKEE CCCCCCCCCOc1ccc([C@H]2NC(=S)N(C)C(C)=C2C(C)=O)cc1OC 169936719 KQJAXPLETHJBCA-HSZRJFAPSA-N 432.630 5.549 30 10 IKEE COc1ccc(/C=N\Nc2nc(-c3c(C)cc(C)cc3C)cs2)c(Br)c1O 169940377 UXPOSBWXSUZJMX-AFPJDJCSSA-N 446.370 5.658 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1cc(C)ccc1C 169943729 OMUNFXRYOCJMPU-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc(OCC)c2)cc1 170039360 SOUDHPHBJKGDBE-XMMPIXPASA-N 449.547 5.395 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccccc2)cc1 170048838 FJNCRZOXHOUPCE-RUZDIDTESA-N 437.495 6.339 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(Cl)cc1 170059610 YIHZQZHRXIXDEA-NRFANRHFSA-N 425.912 5.260 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1c[nH]c2ccccc12 170075602 ASNNRJYLQQLBRF-QHCPKHFHSA-N 442.902 5.913 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1cccc(C)c1 170147459 FIYFHLHNQYMVKU-HXUWFJFHSA-N 442.353 5.526 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2cccs2)cc1 170161225 LIFNBUFLUJPLSW-HSZRJFAPSA-N 436.492 5.556 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccccn1)c1ccc(Cl)c(Cl)c1 170179322 QYXPEILDAULOSA-LJQANCHMSA-N 431.319 5.299 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1cccnc1 170183244 DKXIJCIXZXUFBF-QFIPXVFZSA-N 446.572 5.528 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@@H]1c1ccc(F)cc1 170243727 FARMKFONQGQNKH-QHCPKHFHSA-N 439.527 5.629 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccccc2F)cc1 170249394 HKBAPTCFHFTLEX-VWLOTQADSA-N 437.470 6.070 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C2CCCC2)cc1 170268685 MENNOCAQTNHFIJ-RUZDIDTESA-N 425.528 5.923 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(OCC(C)C)c2)=C(O)C(=O)N1c1ccccc1 170272051 DVEFOQOHQJZYPO-RUZDIDTESA-N 441.527 5.813 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccco1 170284000 JZDCFRLTLOASQZ-LJQANCHMSA-N 428.271 5.678 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1sccc1C 170313982 BLKLEWLCQJOQMY-HXUWFJFHSA-N 437.492 5.296 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(C(C)C)cc2)c1 170363924 REWXQSSQBZAGJV-XMMPIXPASA-N 442.515 5.387 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2sccc2C)cc1Cl 170405708 MPGWTBBHCCAVEQ-IBGZPJMESA-N 439.920 5.501 30 10 IKEE CCC(=NOC(=O)NS(=O)(=O)c1ccc(C)cc1)c1ccc(-c2ccccc2F)cc1 254746041 SPUSAKBDSCWDTA-UHFFFAOYSA-N 440.496 5.030 30 10 IKEE C=C(C)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@]3(C)CC[C@H](O)C(C)(C)[C@H]3CC[C@]21C 257472067 LFPVZIIPFONRSW-DCDFIXCCSA-N 426.729 8.025 30 10 IKEE endogenous,in-man O=C(OCc1ccccc1)N1C[C@H](c2ccc(Br)cc2Cl)[C@@H](CS)C1 382717711 LNILPHFUUQLZIM-PBHICJAKSA-N 440.790 5.385 30 10 IKEE C=C([C@H](NCCC)c1cc(Cl)c(NC(=O)OC(C)(C)C)c(Cl)c1)C(F)(F)F 406644592 NFZONNUHKBCNEA-AWEZNQCLSA-N 427.294 6.500 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Br)c(Cl)c1F 407596327 WPLNRYDSPFGGAY-CZUORRHYSA-N 435.765 5.362 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(C)cc2)cc1OC 526517702 SYTSVMIVEJXRKD-RUZDIDTESA-N 440.499 5.331 30 10 IKEE Cc1nnc(SCc2ccccc2)n1/N=C\c1cccc(OCc2ccc(Cl)cc2)c1 526799773 OUUCDVSYBMGGKH-YSMPRRRNSA-N 448.979 5.993 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1/N=C\c1ccc(OC(C)C)c(OC)c1 526802259 BCILFCIHTSNRAV-QFEZKATASA-N 442.560 5.340 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1c(OC)ccc2ccccc12 526807285 SBNZRNHAJVLPEC-QFEZKATASA-N 436.968 5.830 30 10 IKEE CC(C)COc1cccc(/C=N\n2cnnc2SCc2c(Cl)cccc2Cl)c1 526814647 PALFOMQBRGOJOG-VROXFSQNSA-N 435.380 5.794 30 10 IKEE CCCCCCCCCOc1cccc(Nc2ncnc3sc4c(c23)CC[C@@H](C)C4)c1 586473304 VCPHHQFQRAJZKT-LJQANCHMSA-N 437.653 7.689 30 10 IKEE CC(C)COc1ccc(NC(=O)c2ccc(NC(=O)Nc3ccccc3C#N)cc2)cc1 586721333 CILMZQBSHHFZMA-UHFFFAOYSA-N 428.492 5.489 30 10 IKEE CCCCCCCC(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 686818332 DZDRCJZPGREVQI-UHFFFAOYSA-N 430.633 5.866 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@@]1(C#N)CCc2cc(Br)ccc21 698829156 DQDMZRPEKUGJNG-OAQYLSRUSA-N 447.760 6.209 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@H](C#N)c1cccc(Cl)c1Br 719687045 VPRNBAUASQSJGX-CYBMUJFWSA-N 428.718 5.605 30 10 IKEE C=CCC1([C@@H](O)c2ccc(Br)c(Cl)c2F)CN(C(=O)OC(C)(C)C)C1 722937160 XMBICMKTDQSERW-HNNXBMFYSA-N 434.733 5.088 30 10 IKEE Cc1c(N=Cc2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c(=O)n(-c2ccccc2)n1C 1081096511 FMKZYCFZDCXDQH-UHFFFAOYSA-N 436.855 5.057 30 10 IKEE O=C1c2ccc3c4c(ccc(c24)C(=O)N1N=Cc1c2ccccc2cc2ccccc12)CC3 1084014713 FXDWSDXQFRBJQV-UHFFFAOYSA-N 426.475 5.875 30 10 IKEE CC(=NN1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 1084136364 MGVKBQZTXZRMGX-DEOSSOPVSA-N 448.910 5.015 30 10 IKEE CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)O[C@H](C#N)c1csc(C(=O)c2ccccc2)c1 1614949287 BSOHZJRXOVVHGV-IIDMSEBBSA-N 434.344 5.678 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=Nc1cccc(C)n1 1772731999 TYRWQHDDZQUAGN-HOMYTQLHSA-N 434.477 5.182 30 10 IKEE O=C1/C(=C\c2ccc(Br)o2)SC(=Nc2ccccn2)N1C1CCCCC1 1772732747 ZULHQBVKOFZLSM-RCFILRSGSA-N 432.343 5.374 30 10 IKEE C/C(=C1/SC(=Nc2nc(C)cs2)N(c2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1 1772740628 ZVEZBJQUMFJSPS-MUPZJUBSSA-N 436.518 5.558 30 10 IKEE O=C1/C(=C\c2ccc(Cl)cc2)SC(=NN=Cc2ccc(F)cc2)N1Cc1ccco1 1772757828 LILHSSWAMSKYEZ-VZSHRWNXSA-N 439.899 5.579 30 10 IKEE COc1ccccc1/C=C1/SC(=NN=C/C=C/c2ccccc2)N(Cc2ccco2)C1=O 1772759562 UVUWVKGQHWAVAS-VVUJUQRTSA-N 443.528 5.460 30 10 IKEE COc1cccc(-n2cc(/C=N\NC(=S)Nc3cccc(F)c3)c(-c3ccccc3)n2)c1 1857808680 JBSQSKWJDGVGED-YSMPRRRNSA-N 445.523 5.008 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)COc1ccc(Cl)cc1 1861728985 IQZSPQQRSHAZSP-NRFANRHFSA-N 425.013 5.261 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(Cl)cc1 1862385695 VRQKIDPNHMDPFW-BBATYDOGSA-N 438.738 6.024 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@H]1c1ccc(OC)cc1 1862391900 KVLKMTSFCQFCFO-RUZDIDTESA-N 449.591 6.196 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@H]2c2ccc(F)cc2)cc1OCCC 1862425835 HAEOVXKBQNEROF-QFIPXVFZSA-N 441.499 5.002 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1cccc(F)c1 1862467967 FLKMFFJDYHLRCN-LJQANCHMSA-N 446.316 5.213 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@H]2c2ccccc2F)c1 1862489605 DHJQMFOWIBNVLF-QHCPKHFHSA-N 449.909 5.874 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccccc1F 1862490183 PHICKJIBYSSZBF-DVECYGJZSA-N 437.555 6.380 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCC2)cc1 1862497014 ZKMOPRCTCBMELZ-RUZDIDTESA-N 447.575 6.003 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCC2)cc1 1862498826 RMVYGHKAAVPWGQ-RUZDIDTESA-N 446.591 5.671 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2ccc(F)cc2)ccc1F 1862501774 KKAMZAZKJKPSBN-DEOSSOPVSA-N 447.481 5.484 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc2cc[nH]c2c1 1862503647 BYHUEKXLCANKAQ-QHCPKHFHSA-N 434.511 5.774 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@H]1c1cc(Cl)cc(Cl)c1 1862522081 YUQILCOPZFUVMW-HXUWFJFHSA-N 446.330 5.547 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2cccc(F)c2)cc1 1862663944 YTJDAETVUVMUQJ-DEOSSOPVSA-N 429.491 5.728 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)cc1 1862703949 NESSGZHFHZHLDC-VXWZWFMZSA-N 449.547 5.251 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1c(Cl)cccc1Cl)c1ccc2ccccc2c1 1862716898 QTFKLHCMGPJGTK-NRFANRHFSA-N 438.310 5.887 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccc(OC)c1 1862723676 CXERSNZQOBQPPL-RUZDIDTESA-N 441.527 5.741 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2Cl)[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 1862748219 WAKKLHJGZUCPKP-OAQYLSRUSA-N 448.862 5.027 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(C)cc3)C2=O)cc1 1863270879 ZCBYYEOASWSXSY-LJQANCHMSA-N 435.527 5.382 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2F)C(=O)N(Cc2ccccn2)C1=O 1863640894 NUAXVHKPBCLXEC-UHFFFAOYSA-N 437.559 5.231 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2cccs2)=C(c2ccc(F)c(C)c2)C1=O 1863791646 BYJBZONAFGHGHO-UHFFFAOYSA-N 428.573 5.426 30 10 IKEE Cc1ccccc1-c1nc(Nc2ccccc2C#N)cc(N2CC(C)(C)c3ccccc32)n1 1868306184 APPGRTNHQWCPKC-UHFFFAOYSA-N 431.543 6.497 30 10 IKEE CCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSCc1ccccc1 1870233016 UAVJKOCGPRHVBE-UHFFFAOYSA-N 432.589 5.923 30 10 IKEE C=CCOc1cn(Cc2cccc(C)c2)c(CNc2cccc(C(F)(F)F)c2)cc1=O 1870809450 CXSGRRITZSZMKU-UHFFFAOYSA-N 428.454 5.401 30 10 IKEE CCCCCCCOc1cn(Cc2cccnc2)c(CNc2ccc(OC)cc2)cc1=O 1870830227 IUURMWLWSVXIFJ-UHFFFAOYSA-N 435.568 5.262 30 10 IKEE C=CCn1cc(OCc2ccc(C(C)C)cc2)c(=O)cc1CNc1ccc2[nH]ncc2c1 1870897866 RZKOZXPOGZACQT-UHFFFAOYSA-N 428.536 5.225 30 10 IKEE C#CCOc1cn(CCCCC)c(CNc2ccc(Cl)c(C(F)(F)F)c2)cc1=O 1871008116 HRTHVZVGFCWIQC-UHFFFAOYSA-N 426.866 5.335 30 10 IKEE CCc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(CCC3=CCCCC3)C4)C2=O)cc1 1871354803 BVKISFSMRCIVIN-MYYYXRDXSA-N 429.560 6.216 30 10 IKEE C=CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(OC)cc2)C3=O)c1 1871388689 IMIWLCDPZCPEKO-OYKKKHCWSA-N 442.467 5.404 30 10 IKEE C[C@H]1C[C@H](C)CN(Cc2c(O)ccc3c2O/C(=C\c2ccc(Cl)c(Cl)c2)C3=O)C1 1871396661 QPSZODFRFVHIOO-OZYOTALKSA-N 432.347 5.793 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccc(C)cc4C)cc(C)c3C2=O)c1 1871413134 AUFAIEXTOJFNAH-FQOPDIHJSA-N 441.527 5.942 30 10 IKEE COc1ccc(OCCOc2cc(C)c3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871415204 VPQZAXXTAHPWNR-UCQKPKSFSA-N 436.891 5.731 30 10 IKEE COc1ccc(OCCCOc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871415432 BPCRCADAOABTJV-KSOFMYDRSA-N 428.484 5.716 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1ccc2c(c1C)O/C(=C\c1cccc(F)c1)C2=O 1871424191 AMEKXGSLBLULCP-UCQKPKSFSA-N 445.490 5.639 30 10 IKEE Cc1ccc(NC(=O)CCOc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871431667 REAWYYDSWGIDCK-CLMGESTGSA-N 425.484 5.575 30 10 IKEE Cc1cc(OCC(=O)Nc2cccc3ccccc23)cc2c1C(=O)/C(=C/c1cccs1)O2 1871452635 KMPZZKTUCHUNIO-UCQKPKSFSA-N 441.508 5.843 30 10 IKEE CCOC(=O)Oc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 1872760406 NQEBFBBRTXOBBU-OAQYLSRUSA-N 446.528 5.714 30 10 IKEE COc1ccc(OC)c(-c2csc([C@H](C#N)C(=O)Cc3ccc(OC(C)C)cc3)n2)c1 1872771084 LZHZKLQTIYDNGD-HXUWFJFHSA-N 436.533 5.033 30 10 IKEE CN(C)c1ccc(C(=O)[C@H](C#N)c2nc(-c3cccc4ccccc34)cs2)cc1[N+](=O)[O-] 1872774887 FELGYPDAMWRCSL-IBGZPJMESA-N 442.500 5.428 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccc4ccccc4c3)n2)cc1C 1872781997 AQVISNDOMGRCDX-XMMPIXPASA-N 440.568 6.616 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc2nc(Cc3ccc(F)cc3F)[nH]c2c1 1872810803 DUXUQXRLNVOIDD-UHFFFAOYSA-N 427.539 6.302 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H](C)CC)=C(c2cccc(Br)c2)C1=O 1873054118 CALUICCPLCYHPC-INIZCTEOSA-N 435.406 5.278 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC(C)C)=C(c2ccccc2Br)C1=O 1873070345 BQMOHLCUVFJVSN-UHFFFAOYSA-N 449.433 5.668 30 10 IKEE NC1=C(c2nc(-c3ccccc3)c(-c3ccccc3)s2)C(=O)CN1c1ccc(F)c(F)c1 1873527519 DBEBWEKVTIHAFO-UHFFFAOYSA-N 445.494 5.472 30 10 IKEE CCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1cccc(Cl)c1 1874216595 XPSJYIKQYFUXET-OEAKJJBVSA-N 435.380 5.591 30 10 IKEE Cc1cccc(CSc2nnc(COc3c(C)cccc3C)n2/N=C/c2cccnc2)c1 1874299060 GVPKQCLRUQBAOG-JFLMPSFJSA-N 443.576 5.352 30 10 IKEE Cc1cccc(CSc2nnc(COCc3ccccc3)n2/N=C/c2sccc2C)c1 1874354061 PFBLATBOQKLETQ-AFUMVMLFSA-N 448.617 5.848 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3F)n2/N=C/c2ccccc2C)cc1C 1874358431 HPNJCNKLMRTWQA-LQKURTRISA-N 444.579 6.108 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccccc3Cl)n2/N=C/c2ccc(F)cc2)cc1 1874365299 VRFTVMHUOVIEGT-VULFUBBASA-N 436.943 6.221 30 10 IKEE CCc1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCc2ccc(C)cc2)cc1 1874379458 SXDFBLVOIWXCCA-OGLMXYFKSA-N 444.579 6.053 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2ccc([N+](=O)[O-])cc2)cc1 1874389376 OGRMJPXOKIIBNJ-PCLIKHOPSA-N 443.532 5.260 30 10 IKEE COc1ccccc1/C=N/n1c(Cc2ccccc2)nnc1SCc1cc(C)ccc1C 1874416685 CLACNJXHPQBQIE-WPWMEQJKSA-N 442.588 5.669 30 10 IKEE COC(=O)c1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2cccc(Cl)c2)o1 1874454364 FMQJNGJXACYCOY-FSJBWODESA-N 444.944 5.143 30 10 IKEE Brc1ccc(/C=N/n2c(SCc3ccccc3)nnc2C2CCCC2)cc1 1874454910 QWHCZBZDBAUURY-OEAKJJBVSA-N 441.398 5.873 30 10 IKEE COCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(Cl)cc1 1874505366 IYSYRIJUXKFZGJ-LSFURLLWSA-N 425.316 5.045 30 10 IKEE CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874524925 NBLRQCCEWRKVGA-UFFVCSGVSA-N 436.324 5.230 30 10 IKEE Cc1ccccc1COc1ccc(/C=N/n2c(S)nnc2CCc2cccs2)cc1 1874561733 GMHHMFFTOZQHKY-BUVRLJJBSA-N 434.590 5.183 30 10 IKEE O=C(COc1ccccc1/C=C/C(=O)c1ccc2c(c1)CCCC2)NCc1ccccc1 1874571801 HCGBXHIETBIYNC-WUKNDPDISA-N 425.528 5.157 30 10 IKEE O=C(/C=C/c1cc(Br)ccc1OCCc1ccccc1)c1ccccc1Cl 1874574873 JZIGAQOJDJIMCH-ZRDIBKRKSA-N 441.752 6.620 30 10 IKEE Cc1cc(C(=O)/C=C/c2cc(Cl)ccc2OCc2c(Cl)cccc2Cl)ccc1F 1874581329 IFHPSPJFMUIFHN-RMKNXTFCSA-N 449.736 7.569 30 10 IKEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1cccc2ccccc12)NCc1ccco1 1874583302 HDZVYFCHUMJXPF-ZRDIBKRKSA-N 445.902 5.678 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)cc1 1874593504 MORBCORHMPUJCS-MHWRWJLKSA-N 445.515 6.421 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3c(F)cccc3Cl)c2)cc1 1874595008 PGCLFRZAIBCGPB-WUXMJOGZSA-N 426.871 5.971 30 10 IKEE Cc1cccc(NC(=O)COc2cccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)c2)c1C 1874597278 DDHBUPBKRYWLLC-SFQUDFHCSA-N 441.571 6.515 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2Cl)o1 1874615343 SNCXPZLYJCHQNL-UXBLZVDNSA-N 438.907 6.202 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)cc3C)c(Cl)c2)cc1 1874616063 IPDPWCPKLCIYSV-KPKJPENVSA-N 433.935 6.179 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)cc2)cc1 1874616494 DBMMWFQBYBWHIJ-VGOFMYFVSA-N 443.543 6.006 30 10 IKEE CCCOc1c(OCC)cc(/C=C/C(=O)c2cc(Cl)c(OC)cc2OC)cc1[N+](=O)[O-] 1874631557 JALLKDMIKGNJCZ-BQYQJAHWSA-N 449.887 5.349 30 10 IKEE CCCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2cccc(OC)c2)cc1OCC 1875101285 RLWYPXKSLGNFJB-ZHACJKMWSA-N 447.325 5.458 30 10 IKEE COc1ccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3cccc(OC)c3)cc2)cc1 1875102827 PPWDHTMTILEOBE-LICLKQGHSA-N 446.499 5.365 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccccn1 1875105331 OZNDEUPNSUXVRQ-UXBLZVDNSA-N 442.298 5.902 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccc(C)cc1 1875132185 JHPCBMFLAJPWNB-VZUCSPMQSA-N 441.310 6.426 30 10 IKEE COc1ccc(C(=O)Oc2c(Cl)cc(/C=C/C(=O)c3ccc(C)cc3)cc2OC)cc1 1875132229 LQYDWDDDCFWWLP-AWNIVKPZSA-N 436.891 5.781 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1ccc(OC)cc1 1875136348 KTIATPNIJFFIAE-CXUHLZMHSA-N 442.511 5.856 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1ccc(Cl)cc1 1875141891 AKZSNSVSQRMDQS-UUILKARUSA-N 438.882 6.302 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)cc1)c1ccc(F)c(F)c1 1875162106 WZRBEMRTTMKTOH-PIRCGCSWSA-N 438.857 6.223 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OC(=O)c1ccncc1 1875165424 XEFSMZNJPZUGFH-SOFGYWHQSA-N 445.515 5.646 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)cc1OC 1875166198 VDSYOUVQMVMQPE-VQHVLOKHSA-N 437.319 6.002 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1ccc(Cl)cc1 1875183452 BMFNOGXOOMLKHD-WUXMJOGZSA-N 448.946 6.779 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1 1875184299 SCWKRVNBLDMYJQ-FOWTUZBSSA-N 443.499 6.316 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cc(OC)c(OC(=O)C(C)(C)C)c(OC)c1 1875193196 WWOBICHKDXYPRA-VQHVLOKHSA-N 432.900 5.213 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(N4CCCCCC4)cc3)ccc21 1890630425 YCIODTADGOLCLW-UHFFFAOYSA-N 447.579 5.257 30 10 IKEE N#Cc1ccc(C(=O)N2CCC(c3ccc4cc(-c5ccccc5)cnc4n3)CC2)cc1F 1890783032 RBGBYYRHWMIOGV-UHFFFAOYSA-N 436.490 5.327 30 10 IKEE Cc1cc(Nc2ccc(NC(=O)c3ccc(C#N)c(F)c3)cc2)nc(NC2CCCCC2)n1 1891454211 LTOKWXNWTFDQFR-UHFFFAOYSA-N 444.514 5.536 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 1922056755 ZKKGQUVAGKHEIZ-DQEYMECFSA-N 438.612 5.264 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1ccc(OC)cc1NC(=O)OC(C)(C)C 1922119377 NPDHNROFCICVMQ-HSZRJFAPSA-N 426.557 5.466 30 10 IKEE Cc1cccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)c1Br 1927305800 XPMDXHJVGLOLQQ-QGZVFWFLSA-N 435.749 6.417 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1943910933 JCLDQPNMUQGART-JPYJTQIMSA-N 449.979 5.811 30 10 IKEE CC(C)(C)OC(=O)N(CCNc1ccc(C#N)c(C(F)(F)F)c1)OCc1ccccc1 1998960182 GMVOZZNYLMKMOQ-UHFFFAOYSA-N 435.446 5.358 30 10 IKEE C=C(OC)[C@H](c1ccccc1)C([C@H](C(=C)OC)c1ccccc1)n1nnc2ccccc21 2069508150 MXBKNEQHJCUJTC-CLJLJLNGSA-N 425.532 5.860 30 10 IKEE C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2076316161 FCWWPCVHGXQXDN-XDHUDOTRSA-N 447.551 5.497 30 10 IKEE Cc1cc(C)c([C@@H](n2nc(C)c(/C=N/O)c2I)C(C)(C)C)cc1C 2079112782 ZVFAQOGQSLICFF-LYUVJKPTSA-N 439.341 5.165 30 10 IKEE CCCc1ccc([C@@H](C(C)C)n2nc(C(C)(C)C)c(C#N)c2I)cc1 2079880141 BTQGSDKZIFYGJH-GOSISDBHSA-N 449.380 5.855 30 10 IKEE CCOC(=O)c1sc([C@H](C#N)C(=O)CSCc2ccccc2)nc1-c1ccccc1 2084270751 LGNVEAXFQADTFS-GOSISDBHSA-N 436.558 5.096 30 10 IKEE CC1([C@H]2CSC(=Nc3ccc(Cl)c(I)c3Cl)N2)CC1 2094132745 YVEMNBDEIBADSO-SECBINFHSA-N 427.138 5.091 30 10 IKEE C=CCN(C[C@H](Cc1cc(Cl)c(C)c(Br)c1)NCC)C(=O)OC(C)(C)C 2111272201 HSWZJMQLTACRNK-INIZCTEOSA-N 445.829 5.355 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)c(C)c(Br)c1)NCCC 2126701247 XDNQRVWBICWAMG-ROUUACIJSA-N 445.829 5.401 30 10 IKEE CCCCCCCCCC[C@@H](O)c1sc(Br)c(C)c1Br 2164491655 IJUSLYAFBPNFEZ-CYBMUJFWSA-N 426.258 7.146 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(C#N)c(Br)c2)c2ccccc21 2174811008 SNLQYUOZPVADEH-GOSISDBHSA-N 428.330 5.428 30 10 IKEE COc1cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)ccc1Br 2192141066 XTEFPTHHICGHFI-KRWDZBQOSA-N 435.293 5.603 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1cnc(C2CCC2)[nH]1 2197505323 WONUZYMWJQUHSG-KRWDZBQOSA-N 431.334 5.446 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCCC)c2ccc(F)cc2Br)C1 2198469700 QGRHFKDGGZJZBC-GOSISDBHSA-N 441.385 5.490 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[C@]2(C#N)N(C(=O)OC(C)(C)C)C2CCCC2)C1 2218417979 PQULTOFTAMOBOU-RQBNJVACSA-N 447.620 5.486 30 10 IKEE CCC1CCC(NC(=O)OC(C)(C)C)(C(=O)C#Cc2ccccc2Br)CC1 2235718647 DOOVKYLRUFAMCW-UHFFFAOYSA-N 434.374 5.233 30 10 IKEE C#CCCCCC[C@H](NC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237415727 CPKSNVZYQREDLY-PMACEKPBSA-N 437.422 5.057 30 10 IKEE C=CCCC1([C@H](N)Cc2cccc(Cl)c2Br)CN(C(=O)OC(C)(C)C)C1 2266302269 OQWBJQDSWZACNH-MRXNPFEDSA-N 443.813 5.176 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCC)c2cccc(Cl)c2Br)C1 2272011746 XMTGIAFIQFCTOI-KRWDZBQOSA-N 443.813 5.614 30 10 IKEE CN[C@H](CC=CC#CC(C)(C)C)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2284137616 QGDOWHHPUZZWHS-GOSISDBHSA-N 435.406 6.052 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H](Nc2c(Br)cccc2C#N)Cc2ccccc21 2285240546 FWQQKCAYCNDMNR-INIZCTEOSA-N 428.330 5.099 30 10 IKEE N=[S@](=O)(O)c1ccc(-c2ccc(C=C3SC(=O)NC3=Nc3ccc(F)cc3)o2)cc1 2297473053 GNAWXWDSXLCBLK-UHFFFAOYSA-N 443.481 5.492 30 10 IKEE O=C(Nc1ccccc1)c1ccc(N=Cc2ccccc2O)cc1N=Cc1ccccc1O 2297710279 NGTJEGSNLIBESG-UHFFFAOYSA-N 435.483 5.851 30 10 IKEE CC(C)(C)OC(=O)NC1([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2)CCCCC1 2302429611 XADISGPILZPJLH-LJQANCHMSA-N 429.561 5.548 30 10 IKEE O=C(C=Cc1ccc(Cl)cc1)c1ccc(OC(=O)c2ccccc2Br)cc1 2314430180 YGOQXWXLOHSNPR-UHFFFAOYSA-N 441.708 6.218 30 10 IKEE Cc1cc(OCC(=O)OC(C)(C)C)cc2c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O2 2321736724 SOKAASZYGMWSOP-UHFFFAOYSA-N 435.303 5.639 30 10 IKEE CCCCCCCCCOc1ccc(C=Nn2c(S)nnc2C(C)(C)C)c(Cl)c1 2321908619 RUHRLPKCGCHANX-UHFFFAOYSA-N 437.053 6.529 30 10 IKEE Cc1ccccc1COc1ccc(C=Nn2c(S)nnc2COCc2ccccc2)cc1 2322016198 XVTJGXQGWPWAJV-UHFFFAOYSA-N 444.560 5.053 30 10 IKEE CCCCC[C@H](CC)N1COc2ccc3c(c2C1)OC(=Cc1ccccc1Cl)C3=O 2322071705 CADFCGUGDASTTJ-SFHVURJKSA-N 425.956 6.467 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(ccc4c3CN([C@H]3CCCC[C@H]3C)CO4)C2=O)cc1 2322153136 IBLMHGMXZTYJSH-DVECYGJZSA-N 446.591 5.880 30 10 IKEE Sc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1cccc2ccccc12 2322259915 GUIBUVBTWDNUMR-UHFFFAOYSA-N 429.332 5.488 30 10 IKEE Sc1nnc(CCCOc2ccc(Cl)cc2Cl)n1N=Cc1ccc(Cl)cc1 2322286668 FBCLZWVYESIGLN-UHFFFAOYSA-N 441.771 5.421 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(-c4ccccc4)cc1)C3=O)CN(C1CCCC1)CO2 2322328348 HSZRGWAOIHQYCT-UHFFFAOYSA-N 437.539 6.373 30 10 IKEE COc1cccc(C=CC(=O)c2ccc3ccccc3c2)c1OCc1ccc(Cl)cc1 2322328351 IBTVMSAQAGFALF-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2c(F)cccc2Cl)cc1 2322456852 IDLHPEKNDBEFDU-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE C=C(C)COc1c(C=CC(=O)c2ccc3c(c2)OCCO3)cc(Br)cc1OC 2322680244 URHZJOXVEHQWMT-UHFFFAOYSA-N 445.309 5.080 30 10 IKEE CCCCCCCCCOc1ccc(C=Nn2c(SC)nnc(C)c2=O)cc1Cl 2323019094 CQGXNOWIGGOXJH-UHFFFAOYSA-N 437.009 5.334 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccccc1OCc1cccc2ccccc12 2323022187 MOUXYIWCFLDTBL-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE COc1ccccc1C=C1Oc2cc(OC(=O)CCc3ccc(Cl)cc3)cc(C)c2C1=O 2323106037 MCMNUNIFDNAGFB-UHFFFAOYSA-N 448.902 5.811 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2323200345 MCFVXDBYHWRSSF-UHFFFAOYSA-N 434.875 5.557 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cccc(OCC(=O)Nc2ccc(F)cc2)c1 2323260597 ZUQMVWBGVIATKV-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Cl)c(OCc2cccc(F)c2)c(OC)c1 2323693827 ZIRIFABOYJJLCB-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OCC(=O)N[C@H](C)c1ccccc1 2323813736 XPWLOIKWPACRFD-HXUWFJFHSA-N 429.516 5.238 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2C)C3=O)c1 2323839323 CZFYZOSMFJUBNA-UHFFFAOYSA-N 428.484 5.928 30 10 IKEE CCOc1c(Cl)cc(C=NNc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1OC 2323842713 JYSNCCIFCAQEGQ-UHFFFAOYSA-N 444.944 5.275 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(OC)c1OCc1cccc(C)c1 2324261254 GINBLXODEMKNOY-UHFFFAOYSA-N 434.482 6.485 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OCc1cccc(F)c1 2324272444 PROPCLDUURGKCI-UHFFFAOYSA-N 448.534 6.750 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2324375796 KTNFMTQIPCEQAN-QGZVFWFLSA-N 447.918 5.979 30 10 IKEE CC(C)(C)c1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 2324451313 XTBGLXPSTAJSGT-FQEVSTJZSA-N 431.517 5.905 30 10 IKEE Cc1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2cccc(F)c2)C3=O)c1C 2324499146 GWWPICKALYKPPN-SFHVURJKSA-N 445.490 5.773 30 10 IKEE Cc1cc(C)c(COc2ccc3c(c2)OC(=Cc2ccc(Br)cc2)C3=O)cc1C 2324762542 CFUQKBJDZKIMPS-UHFFFAOYSA-N 449.344 6.570 30 10 IKEE Cc1c(OCCC(=O)OCCC(C)C)ccc2c1OC(=Cc1ccc(C(C)C)cc1)C2=O 2325104024 OLWPNQGCXWVFAS-UHFFFAOYSA-N 436.548 6.093 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCc4c(Cl)ccc(Cl)c4Cl)cc(C)c3C2=O)o1 2325180441 YUFINGWVCOHSAK-UHFFFAOYSA-N 449.717 7.052 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccc(C(C)C)cc3)cc(C)c2C1=O 2325318842 RIXAGVJBGAPKGM-UHFFFAOYSA-N 441.527 6.061 30 10 IKEE COc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2cccc(C)c2)cc1 2325441619 QJPYKFDAVNVDOC-UHFFFAOYSA-N 442.588 5.555 30 10 IKEE Cc1ccccc1C=Nn1c(CCc2ccccc2)nnc1SCc1ccccc1F 2325448827 MQMZOQGWQUNLFI-UHFFFAOYSA-N 430.552 5.685 30 10 IKEE Cc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1cccc(Br)c1 2325642772 AGTHDOMCOPXINL-UHFFFAOYSA-N 439.741 5.316 30 10 IKEE Cc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(-c4ccccc4)cc3)c2)cc1 2325669113 BMKSHIPTNSUVPK-UHFFFAOYSA-N 432.519 6.706 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 2325706704 ISANEKUKERBFNV-UHFFFAOYSA-N 444.527 6.117 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OC(=O)COc1ccc(C)cc1C 2325739853 OAUULCORYGKOFN-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3cccc4ccccc34)c2)cc1 2325746308 LPRKEZULCBICMC-UHFFFAOYSA-N 448.562 7.182 30 10 IKEE O=C(Oc1cccc(C=CC(=O)c2cccc3ccccc23)c1)c1ccc(-n2cccc2)cc1 2325750005 XAKIQDHCPREZMC-UHFFFAOYSA-N 443.502 6.746 30 10 IKEE COc1ccccc1CCC(=O)Oc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC 2325751029 GVVYMTOGVXYDIR-UHFFFAOYSA-N 434.463 5.277 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2cccc(C=CC(=O)c3c(C)cc(C)cc3C)c2)c1 2325764862 XYIFIKRWLBWOQI-UHFFFAOYSA-N 442.555 6.581 30 10 IKEE CSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1c(F)cccc1Cl 2326037614 PRDWZGDELXAYHF-UHFFFAOYSA-N 439.343 5.340 30 10 IKEE CCOc1ccc(C=Nn2c(CC)nnc2SCc2ccc(Cl)cc2)c(OCC)c1 2326352681 KWMIDTBVMWCURQ-UHFFFAOYSA-N 444.988 5.466 30 10 IKEE CCSc1nnc(COc2ccccc2Cl)n1N=Cc1ccc(C(F)(F)F)cc1 2327686606 FTQOLICYJMGVHC-UHFFFAOYSA-N 440.878 5.524 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(OC)cc2)n1N=Cc1cccc(Cl)c1 2328386407 BKMWBGUJXJPVNV-UHFFFAOYSA-N 428.945 5.070 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccc(C)cc3C)n2N=Cc2ccccn2)c1 2328883677 MAZPVZVKLYHGDR-UHFFFAOYSA-N 443.576 5.352 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)C=Cc1ccc(F)cc1 2330522083 CEBVMVSDXVZTHL-DEOSSOPVSA-N 442.550 5.182 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c([N+](=O)[O-])c2)cc1 2330750170 UUMXHYCOKYMZDM-UHFFFAOYSA-N 446.415 5.181 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)[C@H](C)Oc3ccc(Cl)cc3)cc2)c1 2330775784 KWQOMKYIOPZYGC-KRWDZBQOSA-N 436.891 5.618 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2ccccc2)c1C 2331030446 RNYUBJNGVVWKFH-UHFFFAOYSA-N 433.581 5.166 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)C2CCCC2)c(Br)c1 2331066095 NNIIOPYMZDUXQQ-UHFFFAOYSA-N 429.310 5.449 30 10 IKEE C=C(C)CSc1nnc(C(F)(F)F)n1N=Cc1ccc(OCCCC)c(OCC)c1 2331136705 ZFRDSJUWDSDCPJ-UHFFFAOYSA-N 442.507 5.425 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(C(F)(F)F)cc2)cc1)c1ccc(Cl)cc1 2331141367 ZOUCDGXTCWBTQK-UHFFFAOYSA-N 430.809 6.474 30 10 IKEE Oc1cccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C(F)(F)F)c1 2331158072 JJNYCSKPNMVNIW-UHFFFAOYSA-N 447.269 5.484 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)c3c(F)cccc3Cl)c(Cl)c2)c1 2331320032 DCRZAGDICKHALX-UHFFFAOYSA-N 443.301 6.865 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)C2CCC2)c(Br)c1 2331361312 HJTXVRMUNFMSOV-UHFFFAOYSA-N 429.310 5.368 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCc3ccccc3F)nnc2C(C)(C)C)cc1 2331396592 SXABPFJGNTYNRT-UHFFFAOYSA-N 440.588 6.068 30 10 IKEE CCOc1cc(C=Nn2c(SCc3cc(C)ccc3C)nnc2C(C)(C)C)ccc1O 2331397440 CMOUKWBPNGDYJF-UHFFFAOYSA-N 438.597 5.471 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccccc1OC(C)C 2331434293 NVSUQJXZFIDCMO-UHFFFAOYSA-N 426.561 5.577 30 10 IKEE C=CCSc1nnc(CC(C)C)n1N=Cc1ccc(OCCCCCC)c(OC)c1 2331460134 PDIGPCCYUQOZNV-UHFFFAOYSA-N 430.618 5.605 30 10 IKEE CC(C)Cc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(F)cc1F 2331463379 BQXNLRRWRAATPK-UHFFFAOYSA-N 436.531 6.083 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Br)c1OC(=O)C(C)C 2331711466 OFDIACYHQYICDL-UHFFFAOYSA-N 445.353 5.922 30 10 IKEE CCSc1nnc(C2CC2)n1N=Cc1ccc(OCCCc2ccccc2)c(OC)c1 2331739187 VKVFCELOMMTPMJ-UHFFFAOYSA-N 436.581 5.170 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1ccc2c(c1)OCO2 2331780215 DNGCXJVRVGBCDH-UHFFFAOYSA-N 444.483 5.464 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(Cl)c2)ccc1OC(=O)CCCSC 2331834791 XYXNMKTWIXOJJN-UHFFFAOYSA-N 448.968 5.692 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccccc3F)c(Cl)c2)cc1C 2331841034 ALNLTEGVLJXBJW-UHFFFAOYSA-N 438.882 6.220 30 10 IKEE Cc1cc(Br)c(OCc2cc(F)ccc2C#N)cc1NC(=O)OC(C)(C)C 2370461077 YMUYEPNTGPXESS-UHFFFAOYSA-N 435.293 5.694 30 10 IKEE Cc1cccc(NC2=C/C(=N\S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3C2=O)c1 6133473 BBXRIIAIOYPUKD-YYADALCUSA-N 436.920 5.019 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)S/C1=N\c1ccccc1 17145887 KIDYNMCMMLZZCH-NFEGURHZSA-N 449.488 5.487 30 10 IKEE CCCCCSc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C1=C(CC(C)(C)CC1=O)N2 20850124 JNIOXNAYSSONJO-LJQANCHMSA-N 431.005 5.872 30 10 IKEE CCc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(Cl)cc2)cc1 20881770 BGAJWVWKHKTOFM-DCFHFQCYSA-N 428.963 6.882 30 10 IKEE CCc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(OC)c(O)c2)cc1 21260153 BMMPYNLHDQZNJR-MMTVBGGISA-N 440.543 5.943 30 10 IKEE O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(NC(=O)c2cccs2)cc1 39850900 QGNDIDBHECTHOX-ACCUITESSA-N 433.916 6.810 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(OCCC)cc1 40097497 DNHCBCBEHDLPRC-QHCPKHFHSA-N 433.504 5.600 30 10 IKEE Cc1c(OC(=O)c2ccc(C(C)(C)C)cc2)ccc2c1O/C(=C\c1cccc(F)c1)C2=O 41288459 FMZXTFZSNSDOQL-HAHDFKILSA-N 430.475 6.267 30 10 IKEE Cc1c(OC(=O)c2ccc3c(c2)OCO3)ccc2c1O/C(=C\c1ccc(C(C)C)cc1)C2=O 41291310 ABSUTVSHMZRBMJ-MSXFZWOLSA-N 442.467 5.683 30 10 IKEE COc1cccc(COc2ccc3c(c2C)O/C(=C\c2ccc(OC)cc2OC)C3=O)c1 41503835 WENXZICHFBWRTD-CFRMEGHHSA-N 432.472 5.216 30 10 IKEE CC(/C=N\N=C1\S/C(=C\c2cccnc2)C(=O)N1Cc1ccco1)=C\c1ccccc1 47138808 RENBDECNXOOQQQ-QUBVFQBKSA-N 428.517 5.236 30 10 IKEE Cc1cc(-c2ccccc2)nc(N/C(=N\C(=O)c2ccccc2)Nc2ccc(Cl)cc2)n1 59487998 KDERFNNVLZDGKL-UHFFFAOYSA-N 441.922 5.826 30 10 IKEE C=CCn1nc(SCC(=O)c2ccc(F)cc2)nc1-c1ccc(Br)cc1 72261442 LUMWFPOFOVMMNO-UHFFFAOYSA-N 432.318 5.008 30 10 IKEE CCCCCCCCCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C 72399728 DCESQVOXBITSNE-VNFILOLMSA-N 430.673 7.261 30 10 IKEE in-vitro CC(=O)N(c1nc(/C=C\C(=O)c2ccccc2C(F)(F)F)cs1)c1c(C)cccc1C 96305200 LPDAQFYGEIOTBQ-QXMHVHEDSA-N 444.478 6.359 30 10 IKEE CCCCCCCCOc1ccc(OCC(=O)Nc2nc3ccc(Cl)cc3s2)cc1 100972571 DBSZUJQDRFLKIC-UHFFFAOYSA-N 447.000 6.707 30 10 IKEE CCN1C(=O)/C(=C/c2c(F)cccc2Cl)S/C1=N/c1nc(-c2ccccc2)cs1 101130439 RJOCKRYWIRHLST-OQAYFAEJSA-N 443.956 6.227 30 10 IKEE O=C1C(=O)N(c2ccccc2)[C@@H](c2ccccc2)/C1=C(/O)c1ccc(Br)cc1 102903756 AQIAOSBTZOGYBE-LCPUNJGISA-N 434.289 5.075 30 10 IKEE CC(C)Oc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(Cl)cc2)cc1 103106582 LPVSOYZFSIQTAP-RKKARLDVSA-N 448.906 5.149 30 10 IKEE CN(C)C(=O)Oc1ccc(/C=C2/S/C(=N/c3ccccc3)N(c3ccccc3)C2=O)cc1 103477018 VOQLMDVYDIFDIX-SANDBKKGSA-N 443.528 5.556 30 10 IKEE Cc1ccc(N/N=C/c2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1 169877685 HJWMUIAIEKYPLX-MWAVMZGNSA-N 428.539 6.961 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2cc(C)cc(C)c2)cc1 169922665 PAZNIJSCYWXIMQ-NRFANRHFSA-N 448.544 5.168 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccccc2OC)cc1 169942330 CLLHQNLKLIVCLT-XMMPIXPASA-N 443.499 5.049 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1 169953678 HNJPJKNZXQEROG-VWLOTQADSA-N 440.543 5.406 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2cccs2)c1 169982853 ZUMYROBFGSFHCD-QHCPKHFHSA-N 447.556 6.053 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2)cc1 170028924 JWZFZKUXAJUUGZ-JOCHJYFZSA-N 433.891 5.522 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 170029425 IJPSCIVSPQDPBZ-HSZRJFAPSA-N 447.918 5.830 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccc(F)cc2)s1 170063375 AYAZWZGAUCOZKE-SFHVURJKSA-N 442.899 5.335 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2ccccc2F)c1 170069105 MBTGVDIBISGDTN-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2ccccc2F)cc1 170069200 XIASUZKKJYFJMP-HSZRJFAPSA-N 447.462 5.016 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1cccc(O)c1)c1cccc(Cl)c1 170079848 TVMLMHPOEOHMEF-FQEVSTJZSA-N 441.817 5.107 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@@H]1c1ccco1)c1ccc2ccccc2c1 170092642 JYMVQRIYZGZUST-JOCHJYFZSA-N 447.849 6.008 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)o1 170101967 YWFCZAMALZCQQC-GOSISDBHSA-N 442.924 5.406 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2cccc(C)c2)cc1C 170141493 MDIRBAUYSZKWLR-XMMPIXPASA-N 443.499 5.109 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2cccs2)c1 170158396 MLHALJSFRPBAJU-FQEVSTJZSA-N 434.473 5.056 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cccs1)c1ccc(Cl)c(Cl)c1 170163879 QPTRNBZASJPCKU-GOSISDBHSA-N 436.360 5.966 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccnc2)cc1C(C)C 170194113 BHPGWBBETFRSDT-XMMPIXPASA-N 448.563 5.433 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@@H]1c1c[nH]c2ccccc12 170255564 ZJJPDZAFBZYVGQ-NRFANRHFSA-N 438.911 5.208 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@@H]1c1ccc(CC)cc1 170267855 QRUSZMKMXHGWCA-NRFANRHFSA-N 427.928 5.289 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1Cc1ccncc1 170275093 PYZSZIHXOIENIR-RUZDIDTESA-N 434.495 5.322 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccco2)ccc1Cl 170287527 HXNQNRDVJYNPQT-NRFANRHFSA-N 437.879 5.423 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(C)o2)c1 170299742 BZGZETIFQXHQCS-HXUWFJFHSA-N 441.842 5.172 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)c(Cl)cc2OC)[C@@H]1c1ccc(C)o1 170309873 PFJOGCINDNPSPU-FQEVSTJZSA-N 447.915 5.027 30 10 IKEE Cn1cc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(Cl)cc2)c2ccccc21 170395593 DUOICTKFAAYMOM-OAQYLSRUSA-N 448.931 5.676 30 10 IKEE Cc1cc(C)c2nc(-n3ncc(C#N)c3Nc3cc(-c4ccccc4)nc(C)n3)cc(C)c2c1 170547182 ULHXQZMLPBZEMQ-UHFFFAOYSA-N 445.530 5.726 30 10 IKEE CC(=NN1C(=O)CN(Cc2ccccc2)[C@H]1c1cccc(Cl)c1)c1ccc(Cl)cc1 252593520 BKLPEKOJKKUVLX-XMMPIXPASA-N 438.358 5.761 30 10 IKEE COc1ccccc1C=Nc1ccc(Oc2ccc(N=Cc3ccccc3OC)cc2)cc1 252608524 HKYJFJYBGMISHG-UHFFFAOYSA-N 436.511 6.997 30 10 IKEE Oc1ccc(Br)cc1C=Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1 252609586 HVDXBBFNUACQBW-UHFFFAOYSA-N 427.685 6.367 30 10 IKEE CCN1C(=O)[C@H](CC(=O)Nc2c(C)cccc2C)SC1=Nc1cc(Cl)ccc1C 252630136 UVGSRIKXBAAQKN-SFHVURJKSA-N 429.973 5.245 30 10 IKEE Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=Nc2ccc3oc(-c4ccccc4F)nc3c2)o1 254491899 BIHGSUCFWPZWCG-UHFFFAOYSA-N 441.418 6.861 30 10 IKEE Cc1cc(OCc2ccc(C=Nn3c(S)nnc3-c3ccco3)o2)cc(C)c1Cl 254567844 ZHMMYKPWTIFADX-UHFFFAOYSA-N 428.901 5.151 30 10 IKEE CCc1ccc2oc(-c3cc(N=Cc4cc([N+](=O)[O-])cc([N+](=O)[O-])c4O)ccc3O)nc2c1 254792813 HTOIHDNUQHVOHQ-UHFFFAOYSA-N 448.391 5.035 30 10 IKEE CCCCCCCCCCCCCC[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)[C@H]1COC(C)(C)O1 256067503 LGWUPCHVFJGQAF-AFXVXQJMSA-N 428.654 6.110 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(O)cc2)cc1 526486951 RTURMLWZXSKVPF-XMMPIXPASA-N 426.472 5.110 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(OC)cc2)c1 526603261 BQYMVZSMNSAYGC-VWLOTQADSA-N 440.499 5.413 30 10 IKEE CCc1nnc(SCc2ccccc2)n1/N=C\c1c(Cl)ccc(Cl)c1Cl 526799429 JCMZEQQMZUDVHZ-YVNNLAQVSA-N 425.772 5.975 30 10 IKEE CCCOc1cccc(/C=N\n2c(CC)nnc2SCc2ccc(C(C)(C)C)cc2)c1 526805566 LRJHDNNSXDVEMD-ONUIUJJFSA-N 436.625 6.101 30 10 IKEE Cc1ccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccc(Cl)cc2)cc1 526808186 KFQZRUUMWKKBIG-PKAZHMFMSA-N 447.007 6.200 30 10 IKEE Fc1cccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccccc2Cl)c1 526817366 UJXGQEAKWIFHOE-YSMPRRRNSA-N 436.943 5.836 30 10 IKEE CCCCCCCCOc1cccc(OC(=O)c2ccccc2)c1OCCCCCC 585667633 GYHRAWNKZJNABO-UHFFFAOYSA-N 426.597 7.604 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)Nc3cccc(F)c3)C2)c1 585881720 XOCRDTAYYXXEBR-JOCHJYFZSA-N 438.547 5.090 30 10 IKEE C=C(C)CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1cc(OC)ccc1OC 586249272 JNBUOTFHGRAADP-UHFFFAOYSA-N 439.533 5.268 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCCc2ccccc21 698404481 FWCKKXGYFRPSAR-QFIPXVFZSA-N 427.342 5.946 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@H](C#N)c1ccc(F)c(Br)c1 698866456 LYODQLGACBKSDV-INIZCTEOSA-N 425.323 5.652 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 698890008 FZXZMFFZVKMUET-JOCHJYFZSA-N 435.952 5.375 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@@](C#N)(N(Cc1cccs1)C(=O)OC(C)(C)C)C2 709472793 WIXBLVOFULHGGQ-QQMNAOGKSA-N 447.601 5.167 30 10 IKEE CC(=C\c1ccccc1)/C=C1/S/C(=N/N=C/c2cccs2)N(Cc2ccco2)C1=O 1615301634 TWXLBPYDFKOZOC-TVMANTFASA-N 433.558 5.794 30 10 IKEE COc1ccc(-n2nc(C(=O)Nc3ccccc3C#N)c(Cl)c2-c2ccc(F)cc2)cc1 1859383292 BMEAYSWPWPUQQP-UHFFFAOYSA-N 446.869 5.464 30 10 IKEE N#Cc1cccc(C(=O)Nc2ccc(Cl)c(NC(=O)c3ccc(C(F)(F)F)cc3)c2)c1 1860461533 FQBOJSPDRPDFKH-UHFFFAOYSA-N 443.812 5.735 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(Cl)cc1 1861105244 HJJTYZCHBCRHJW-UFIOJNINSA-N 441.015 5.557 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)c1ccc(OCC)cc1)c1ccccc1 1861369545 REHPXLFADSNMER-RUZDIDTESA-N 438.612 5.813 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2cccc(F)c2)cc1 1862391104 SIDKPKNSEZYESO-DEOSSOPVSA-N 444.506 5.342 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc(C(=O)O)cc2)cc1 1862393254 QYYUOVHEEWXTCO-HSZRJFAPSA-N 449.547 5.352 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@H]1c1cccc(F)c1)c1ccc(F)cc1F 1862413657 IBBZAOHBNZXYPR-QFIPXVFZSA-N 443.465 5.795 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862445605 ZPOUSUZFMSJJKP-MWTRTKDXSA-N 447.918 5.688 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1cccc(F)c1 1862458771 VIZUBTAGKOMSQM-HXGDPMPDSA-N 447.428 5.400 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@@H]2c2ccc(C)cc2)cc1 1862475552 PGGXKKUCAAXXPV-HSZRJFAPSA-N 431.919 5.735 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1862477562 ZFUMQFIGBASWDN-AUSIDOKSSA-N 437.536 5.343 30 10 IKEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc2ccccc12 1862480282 CHXCDIRWANPFNH-RUZDIDTESA-N 442.559 5.068 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2ccccc2F)c1 1862490256 QYMGPHPNSBMDQU-RUZDIDTESA-N 443.518 5.654 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862562248 BCELLUSIZDXSMH-FQEVSTJZSA-N 447.362 5.734 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2C2CCCCCC2)c1 1862605579 XVLBHRRIUJJXAV-XMMPIXPASA-N 447.531 5.067 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1cccc(OC)c1 1862614982 GMJGVPKIRBAIEO-DEOSSOPVSA-N 449.591 6.151 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CC(C)C)cc1 1862622295 HFGYFBRUERFLQR-XMMPIXPASA-N 449.591 6.007 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1F 1862644692 QQFIOCMHWNQOOT-JOCHJYFZSA-N 439.527 5.366 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2[C@H](C)CC)c1 1862655710 NUXHGOXMQHREDS-CJAUYULYSA-N 443.543 6.005 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccccc2Cl)cc1 1862662471 WYNNVNHPGZEETP-XMSQKQJNSA-N 439.939 5.221 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2c(Cl)cccc2Cl)cc1 1862690643 SFWWNGCJHIIHHL-HXUWFJFHSA-N 446.330 5.523 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2cccc(C)c2)c1 1862699959 ZYILMVKBVKYZAH-VWLOTQADSA-N 441.527 5.215 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1[C@H]1CCCC[C@H]1C 1862713633 SKAMCQYCWYEULQ-YZXAJQSBSA-N 439.555 6.305 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cccc(F)c1)c1ccc(-c2ccccc2)cc1 1862724142 KAIZXAZWSVRAKK-RUZDIDTESA-N 441.502 6.014 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(F)cc1F 1862725738 QSBPQTDOELMQSO-HSZRJFAPSA-N 431.438 5.396 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1Cl 1862760706 UQCBNINYAWMHRN-ZMZPIMSZSA-N 449.290 5.278 30 10 IKEE N#Cc1cccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(Cc3ccccc3Cl)C2=O)c1 1863172942 FBSCLLRGEMMLHV-UHFFFAOYSA-N 448.309 5.257 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(OCCC)cc2)=C(c2ccc(C)cc2)C1=O 1863264533 QQPPZKOUHSRVCV-UHFFFAOYSA-N 448.607 6.336 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C(C)C)c(C)c2)=C(c2ccc(C)cc2)C1=O 1863271159 DNQXDVBKWRZGMO-UHFFFAOYSA-N 446.635 6.979 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC(C)C)=C(c2ccc(OCCC)cc2)C1=O 1863683681 ZKYSGZFAICWYOG-UHFFFAOYSA-N 428.617 5.694 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(OCCCC)cc1 1866029787 HONWCTPMVTWQFN-UHFFFAOYSA-N 431.705 9.066 30 10 IKEE CCC[C@H](NC(=O)C[C@@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1cccc(C#N)c1 1866777900 ZIHIIHPPZQNGKK-DQEYMECFSA-N 443.522 5.143 30 10 IKEE CCCC[C@H](NC(=O)C[C@H](CC(C)C)c1ccc(F)cc1)C(=O)Nc1cccc(C#N)c1 1867100234 RNWGFRFSOXGWSS-URXFXBBRSA-N 437.559 5.531 30 10 IKEE COc1cccc(-c2nc(Nc3cccc(C#N)c3)cc(N3CC[C@H](c4ccco4)C3)n2)c1 1868495790 PDCIPNHQYMEFND-FQEVSTJZSA-N 437.503 5.354 30 10 IKEE CCCCCCCOc1cn(CCCOC(C)C)c(CSc2ncccn2)cc1=O 1870251665 PLIKJTNDHFPMKE-UHFFFAOYSA-N 433.618 5.095 30 10 IKEE CCCCCCCOc1cn(CCCOCC)c(CN(C)Cc2ccccc2)cc1=O 1870408768 ANMBJITXIRSDSB-UHFFFAOYSA-N 428.617 5.256 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCCc2ccccc2)cn1Cc1ccc(C)cc1 1870686334 GPFCPPMWHTYPAZ-UHFFFAOYSA-N 442.603 5.391 30 10 IKEE CCCCCCCCn1cc(OCC)c(=O)cc1CNc1ccc(OCCCC)cc1 1870787986 BHKHYPBEDIXKCP-UHFFFAOYSA-N 428.617 6.399 30 10 IKEE C=CCOc1cn(Cc2ccccc2Cl)c(CNc2ccc(Cl)c(Cl)c2)cc1=O 1870810023 HMNZLEZIKOOWEC-UHFFFAOYSA-N 449.765 6.034 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2)c(CNc2cccc(N(C)C)c2)cc1=O 1870833824 VIHOXQNWBICAPQ-UHFFFAOYSA-N 447.623 5.924 30 10 IKEE CCCCCCCOc1cn(CCCN(C)C)c(CNc2ccc(Cl)cc2C)cc1=O 1870837726 VTPMPILTTVYJDP-UHFFFAOYSA-N 448.051 5.723 30 10 IKEE CCCCCCCOc1cn(CCCCCO)c(CNc2ccc(C)c(F)c2)cc1=O 1870838098 OJYLLEULRMNZJN-UHFFFAOYSA-N 432.580 5.420 30 10 IKEE CCCCC[C@H](CC)N1COc2ccc3c(c2C1)O/C(=C\c1cccc(Cl)c1)C3=O 1871347763 URKXBDVLGHMJEQ-CSMVZQPBSA-N 425.956 6.467 30 10 IKEE C[C@H]1CN(Cc2c(O)ccc3c2O/C(=C\c2ccc(-c4ccccc4)cc2)C3=O)C[C@@H](C)O1 1871395664 ZVLSSKKJLAAEFD-BSJBVGEKSA-N 441.527 5.285 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccncc2)C3=O)cc1Cl 1871402622 YDDNKSBXIUPSHL-YSUUHWHMSA-N 448.906 5.374 30 10 IKEE CCc1ccc(OCCCOc2cc(C)c3c(c2)O/C(=C\c2cccc(OC)c2)C3=O)cc1 1871412990 OROBQAIJVCSBTJ-ONUIUJJFSA-N 444.527 6.030 30 10 IKEE Cc1cccc(C(C)C)c1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccco1)C2=O 1871422577 RQVRTGZFRXPXOE-XKZIYDEJSA-N 431.488 5.654 30 10 IKEE Cc1ccc(NC(=O)CCOc2ccc3c(c2C)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871431299 NHXMXEBPOQXMAD-HAHDFKILSA-N 431.463 5.466 30 10 IKEE Cc1cc(OCc2ccc(C(=O)OC(C)C)o2)cc2c1C(=O)/C(=C/c1ccccc1F)O2 1871439275 QKUAQSUOTLNBDF-JJFYIABZSA-N 436.435 5.488 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(OCCC)cc2)[nH]c(N(C)CCCC)n1 1871725667 ODJHJTBIMDZNHL-UHFFFAOYSA-N 442.652 5.835 30 10 IKEE C=CCN([C@H](C)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1872213541 PYBSEWHOZSUUEP-HXUWFJFHSA-N 442.625 5.113 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1cccs1 1872232305 CMXLGMXRKYUOGB-SFHVURJKSA-N 441.018 5.166 30 10 IKEE Cc1cc(CC(=O)[C@H](C#N)c2nc(-c3cccc(Br)c3)cs2)ccc1F 1872764322 KCAMNMZJCUVTEC-INIZCTEOSA-N 429.314 5.439 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3cc(OC)ccc3OC)n2)cc1 1872770474 VMMRDMIDEHKJLY-AKERNLMBSA-N 448.544 5.506 30 10 IKEE COc1ccc(OC)c(-c2csc([C@H](C#N)C(=O)CCCOc3ccccc3C)n2)c1 1872771698 ZXWLXHAZBDNAAF-LJQANCHMSA-N 436.533 5.171 30 10 IKEE N#C[C@@H](C(=O)/C=C/c1ccc(Cl)cc1Cl)c1nc(-c2c[nH]c3ccccc23)cs1 1872777521 PQZAXWYDENNYDL-BVBGJJFLSA-N 438.339 6.488 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc1OC 1872783241 VGFYZCLPMMVNAS-OSICKASQSA-N 432.545 5.724 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3cccc4ccccc34)n2)cc1Cl 1872785737 VCAQJVKAALQYED-LJQANCHMSA-N 432.932 6.044 30 10 IKEE CCCCCCCCCCNC1=C(c2c(C)cc(C)cc2C)C(=O)N(CC(C)C)C1=O 1873119746 LRVTZLRNWIDRKT-UHFFFAOYSA-N 426.645 6.078 30 10 IKEE CCCCCCCCCCNC(=O)COc1cc2oc(=O)c3c(c2cc1Cl)CCC3 1873935230 MIKRZOGIOHJSBT-UHFFFAOYSA-N 433.976 5.571 30 10 IKEE CCCCCCCCCCNC(=O)CCCCCN1C(=O)c2ccccc2N[C@@H]1C(C)C 1873936744 PRNWAPXXJBEVRW-SANMLTNESA-N 443.676 6.354 30 10 IKEE C=C(C)CSc1nnc(COc2cccc(C)c2C)n1/N=C/c1ccccc1Cl 1874323204 CXQGVVBZPKFDRZ-WYMPLXKRSA-N 426.973 5.678 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2ccc(C)cc2)nnc1-c1ccccc1Cl 1874365208 QFYSXNMEYOHVHL-CVKSISIWSA-N 448.979 6.090 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccccc2F)n1/N=C/c1ccc(F)cc1 1874375481 YOTUHVWTLNQWQM-JFLMPSFJSA-N 434.515 5.630 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3F)n2/N=C/c2ccc(F)cc2)c1 1874375531 AXHYXXWBYSIRLP-RWPZCVJISA-N 448.542 5.938 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCCc2ccccc2)n1/N=C/c1cccc(Cl)c1 1874399829 CZTBJYNAYXXPGA-WRGIWNTCSA-N 447.007 6.300 30 10 IKEE CCCOC(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874430168 VUQWRFWIYQYVOR-FSJBWODESA-N 449.363 5.179 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCc3ccccc3C)nnc2[C@@H]2CCCO2)cc1 1874443536 FACBDPHOZPOFCD-OINMWHHXSA-N 449.624 5.459 30 10 IKEE Oc1cccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2[C@@H]2CCCO2)c1 1874449924 OZKMNUGHTNYEGA-IBUSPFOHSA-N 430.533 5.163 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CCCC2)cc1 1874456162 DLSAATMJWDAFJR-WPWMEQJKSA-N 442.588 6.272 30 10 IKEE C=C(C)CSc1nnc(-c2ccco2)n1/N=C/c1ccc(OCCCC)c(OCC)c1 1874466514 NRZXVLQWBCKKQL-BUVRLJJBSA-N 440.569 5.666 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)C)n2/N=C/c2c(Cl)cccc2Cl)c1 1874489655 DENDNAPMGFXCFY-BRJLIKDPSA-N 447.435 6.575 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2sccc2C)cc1C 1874493599 VPKJGWFYVLKYDL-FSJBWODESA-N 439.610 5.145 30 10 IKEE Cc1ccc(CSc2nnc(C(C)C)n2/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1874509308 WHFCPTMCBCKOID-SSDVNMTOSA-N 429.933 5.446 30 10 IKEE CCCOc1c(/C=N/n2c(C)nnc2SCc2ccccc2Cl)cccc1OC 1874531307 CENHETMGFOQKFM-YDZHTSKRSA-N 430.961 5.212 30 10 IKEE Sc1nnc(CCc2ccccc2Cl)n1/N=C/c1cccc(OCc2ccccc2)c1 1874566213 OFNZRBFNVRNIDP-WGOQTCKBSA-N 448.979 5.467 30 10 IKEE COc1c(Br)cc(Br)cc1/C=C/C(=O)c1cccc([N+](=O)[O-])c1 1874569636 BJJSAPBWWVXWDF-AATRIKPKSA-N 441.075 5.025 30 10 IKEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1ccc2c(c1)CCCC2)Nc1ccccc1 1874571860 KGHZSYZNKSAKBF-WYMLVPIESA-N 445.946 6.132 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Br)ccc2OCC(=O)OCC(C)C)cc1 1874572912 LNMZSEUNFDJDOR-PKNBQFBNSA-N 445.353 5.486 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2c(OCC(=O)NCCC)ccc3ccccc23)cc1 1874573940 MWIXJEDHZFBVAR-WUKNDPDISA-N 429.560 5.984 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccc(Cl)cc2)c1)c1ccc(Oc2ccccc2)cc1 1874598504 PLZBASHURRCFRL-WOJGMQOQSA-N 440.926 7.607 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cccc(OCc2nc(O)c3ccccc3n2)c1 1874599554 SDFXPOHAAFRQIE-VAWYXSNFSA-N 440.499 5.436 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OCc1cc(C)ccc1C 1874601738 AJPKIQAPUBMINN-GZTJUZNOSA-N 448.562 7.454 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1OCC(=O)OCC(C)C 1874606238 DLZLIJLDCGIGDE-XBXARRHUSA-N 437.319 5.476 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OCC(=O)Nc1nccs1 1874608449 OWTHAYHXTOKKFG-VQHVLOKHSA-N 442.924 5.109 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)c(Cl)c2)cc1 1874615836 BJOHJMAHACDLSA-NRJHKNTJSA-N 433.935 5.801 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 1874620218 OPPASMJPLVZCSC-FMIVXFBMSA-N 427.327 6.786 30 10 IKEE Cc1cccc(COc2ccc(/C=C/C(=O)c3ccc(F)c(F)c3)cc2Br)c1 1874626115 NBAHEILIXPHZOW-WEVVVXLNSA-N 443.287 6.511 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OCc1cccc(Cl)c1 1874635425 ORJSCBXDNOYUMC-PKNBQFBNSA-N 434.963 7.139 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC(=O)C(C)(C)C)c(OC)cc2Br)cc1 1874696400 BAAQKZANNVCARG-DHZHZOJOSA-N 447.325 5.314 30 10 IKEE CCc1ccccc1OCC(=O)Oc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC 1874703876 LWCHXSUEQFAOOB-UKTHLTGXSA-N 448.490 5.586 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OC(=O)c3cccc4ccccc34)c2)c1 1874706331 BJMSNFTZDZWROR-FYWRMAATSA-N 438.479 5.972 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1OC(=O)c1cccc(F)c1 1874712792 QVNCCCUGBKKQMX-DHZHZOJOSA-N 434.463 5.575 30 10 IKEE C=CCN(CC=C)CCC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc(C(C)C)cc2)c1 1874723436 DWNHZLAOFHWUOC-NRFANRHFSA-N 434.580 5.463 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(F)c(C)c2)CSc2nnc(C3CC3)n21 1874842426 VHVHSYCBZMYHCR-HXUWFJFHSA-N 430.593 5.665 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1OC 1875082627 KJVUHIVOZFICBS-CPNJWEJPSA-N 442.555 7.134 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1cnccn1 1875105082 CVQIZWVPBMCERK-XVNBXDOJSA-N 443.286 5.297 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccccc3)c(Cl)c2)cc1 1875106900 QICOPTQNFSOFSR-FOWTUZBSSA-N 448.946 6.563 30 10 IKEE O=C(COc1cc(F)ccc1F)Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1 1875111381 HJENNHSVDOOYSQ-KPKJPENVSA-N 428.818 5.499 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)c1ccc(OC)c([N+](=O)[O-])c1 1875128805 VMERDVOLWQBXKB-FMIVXFBMSA-N 447.443 5.117 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)[C@@H](C)c1ccccc1 1875131462 ZKZSUFPSYANJBR-BPOBUFBUSA-N 448.946 6.571 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C)c(Cl)cc3OC)cc2)cc1 1875179562 PSZQWMHVKGRUDB-AWNIVKPZSA-N 436.891 5.781 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc(Cl)c1OC(=O)CC 1875185537 XUXOFKVKJOIZIB-ZRDIBKRKSA-N 428.956 6.556 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 1922055844 VLPZUGVLKWSIBC-DHIUTWEWSA-N 428.617 5.165 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1csc(CCNC(=O)OC(C)(C)C)n1 1922079741 IMXMAPYKXBSGSF-JOCHJYFZSA-N 445.629 5.024 30 10 IKEE CCCCCCCCCC[C@@H](NC)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1946523280 KYXWOUALXOSZGS-DNQXCXABSA-N 434.665 6.215 30 10 IKEE CC(C)(C)OC(=O)Nc1c(Br)cc(Br)cc1[C@H]1C[C@@]1(C)C=O 1952044455 MKOIWMZGHXCQLS-BZNIZROVSA-N 433.140 5.251 30 10 IKEE C#CCCN(CCC)C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC 1984778028 AVIOOKFBYBTFFC-RXFWQSSRSA-N 446.591 5.202 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCC23CN(C(=O)OC(C)(C)C)C3)c1 2009508473 ANYNKTNKYUCNLQ-XMMPIXPASA-N 427.545 5.030 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C)([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C1 2022135696 QXBXQRAWLAPECD-MBSDFSHPSA-N 449.979 5.621 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2046019663 PKJSPCOKTGOPMV-YUIYBGGXSA-N 445.535 5.153 30 10 IKEE C=C(C)[C@@H](NCCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071360194 WLCVPEICUHSHMJ-VSGBNLITSA-N 431.576 5.822 30 10 IKEE CCCCCCCCCCNC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1 2084725595 QATCMEXRXPXFPW-RUZDIDTESA-N 445.692 5.838 30 10 IKEE C=CCCCCCCCC[C@@H](NC)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2086262557 XGVWVHLBXLKHTN-JWQCQUIFSA-N 445.692 5.907 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(Cc2ccccc2)C2(CC2)C1 2104010944 YDUNOEUOSGJOKG-HHHXNRCGSA-N 447.579 5.528 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1Nc1ccc(C#N)c(Br)c1F 2106036736 BIHGPRZRECSQRC-UONOGXRCSA-N 426.330 5.098 30 10 IKEE CC(C)C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1Nc1ccc(Br)c(C#N)c1 2149847011 RXZZBGPONAELKZ-LPHOPBHVSA-N 436.394 5.404 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H](Nc2cc(Br)cc(C#N)c2)CC12CCCCC2 2162309065 IXFQYBDIODPENX-SFHVURJKSA-N 434.378 5.445 30 10 IKEE CC1(C)CC[C@@H](Nc2cccc(Br)c2C#N)[C@H](CNC(=O)OC(C)(C)C)C1 2162313844 YVLRELBVAGPNRP-WMLDXEAASA-N 436.394 5.452 30 10 IKEE C[C@@H](Nc1cc(Br)c(C#N)cc1F)c1ccc(NC(=O)OC(C)(C)C)cc1 2162350847 SJJJFPBBWSTFSA-GFCCVEGCSA-N 434.309 5.980 30 10 IKEE CC(C)(C)OC(=O)N1CCCC2(CC(Nc3cc(Br)cc(F)c3C#N)C2)C1 2163695935 FHDNZYNJQMLBNO-UHFFFAOYSA-N 438.341 5.051 30 10 IKEE CC1(C)OB(c2cccc(OCc3ccc(Cl)c(Br)c3F)c2)OC1(C)C 2166757514 JBCGDSRUGLNVEM-UHFFFAOYSA-N 441.533 5.120 30 10 IKEE C=CCN(C[C@@H](NCCC)c1sc(C)c(C)c1Br)C(=O)OC(C)(C)C 2221832007 LOAORHDRNYFNLZ-OAHLLOKOSA-N 431.440 5.591 30 10 IKEE Cc1ccc(C#C[C@H](N)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1 2231159019 VPUFJJSNMPXDEE-NDEPHWFRSA-N 433.551 6.205 30 10 IKEE C=C1CCC(C[C@@H](N)[C@H](Cc2ccccc2Br)NC(=O)OC(C)(C)C)CC1 2237423746 DGINILOYYCHEKC-UXHICEINSA-N 437.422 5.349 30 10 IKEE CC(C)(C)OC(=O)N(C[C@H]1CCCO1)[C@@H](C#N)c1sc(Cl)cc1Br 2250689017 UBPMNGGKPOYWOC-PWSUYJOCSA-N 435.771 5.145 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(F)cc(Br)c1F 2272737327 BYBZWEGMZKELPW-RDJZCZTQSA-N 433.337 5.237 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@@H](O)C#Cc2ccc(Br)cc2)cc1Cl 2278792357 ZOLBIQOGSCKFQS-SFHVURJKSA-N 436.733 5.535 30 10 IKEE N#C[C@@H](C(=O)c1scc(Br)c1Cl)c1ccc(F)cc1Br 2279289827 KINPWFNEJUEDLZ-MRVPVSSYSA-N 437.515 5.556 30 10 IKEE Cc1cc(OCc2ccccc2)ccc1NC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2281947155 YYCWIEYCPCBXRM-UHFFFAOYSA-N 443.352 5.126 30 10 IKEE CCC[C@@]1(CNc2c(Br)cccc2C#N)CCCN(C(=O)OC(C)(C)C)C1 2285241120 JBXPNAPEGBWTJW-NRFANRHFSA-N 436.394 5.550 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C=CC(=O)c2cc(F)cc(Br)c2F)cc1 2288559340 BYYVLFLAUQJOOX-UHFFFAOYSA-N 438.268 5.970 30 10 IKEE CN[C@@H](C#Cc1cccc(Br)c1)c1ccc(Cl)c(NC(=O)OC(C)(C)C)c1 2296287473 WVXXXQSIYVJSLL-SFHVURJKSA-N 449.776 5.762 30 10 IKEE COc1cc(C=C2C[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]3(C)C2=O)cc2c1OCO2 2297505009 FBJLPYMCBZFUML-JCUDMMKQSA-N 436.592 6.419 30 10 IKEE CN[C@@H](C#C[C@H](OC)C1CCCC1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2303655014 VFNLHRCJYRRGLY-RPWUZVMVSA-N 428.617 5.001 30 10 IKEE CC(=CC(=O)c1ccc(Br)cc1)Nc1ccc(I)cc1 2313501685 MPDYIQRNHXIEKV-UHFFFAOYSA-N 442.094 5.252 30 10 IKEE Cc1ccc(N=C2NC(=O)C(=Cc3cc(Cl)ccc3OCc3ccccc3)S2)cc1 2313638066 WAOVDMXYOBJOCW-UHFFFAOYSA-N 434.948 6.119 30 10 IKEE CCN1C(=O)C(=Cc2ccc(C(=O)O)cc2)SC1=Nc1nc(-c2ccccc2)cs1 2314544014 RFPHJYWHNFLZLA-UHFFFAOYSA-N 435.530 5.132 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](O)c2cc(Cl)cc(Br)c2F)C1 2315498991 HTXYIIVBRSLWPH-HNNXBMFYSA-N 434.733 5.136 30 10 IKEE CCCCCOc1ccc(C=Nn2c(CC)nnc2SCc2cc(C)ccc2C)cc1 2318571602 OEMXRBSGDWCTGC-UHFFFAOYSA-N 436.625 6.201 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CC2)c(OC)c1 2320858268 WMWQKLJLUSGCSP-UHFFFAOYSA-N 428.945 5.001 30 10 IKEE Clc1cccc(Cl)c1CSc1nncn1N=Cc1ccc(Br)cc1 2321299486 WTKUDHQZOYPVAF-UHFFFAOYSA-N 442.169 5.522 30 10 IKEE Cc1ccc(COc2ccc(C=Nn3c(S)nnc3CCc3ccccc3)cc2)cc1 2321901267 FWVLQOHNIXDBCE-UHFFFAOYSA-N 428.561 5.122 30 10 IKEE Cc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCc2ccc(Cl)cc2)C4)o1 2321934998 GLNCRUNVIIEGPK-UHFFFAOYSA-N 435.907 5.561 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O3)CN(Cc1ccccc1)CO2 2321981816 WJYDRHBSCVBMEN-UHFFFAOYSA-N 439.555 6.261 30 10 IKEE Cc1ccc(COc2ccc(C=Nn3c(S)nnc3Cc3ccc(Cl)cc3)cc2)cc1 2322034996 CGDVUJARAOQRJC-UHFFFAOYSA-N 448.979 5.581 30 10 IKEE Cc1ccc(OCc2nnc(S)n2N=Cc2cccc(Oc3ccccc3)c2)cc1C 2322056813 RUGHONQSFLGSFN-UHFFFAOYSA-N 430.533 5.437 30 10 IKEE Cc1cccc(CN2COc3ccc4c(c3C2)OC(=Cc2c(F)cccc2Cl)C4=O)c1 2322216633 WKIJZZXPAJRVOW-UHFFFAOYSA-N 435.882 5.756 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(Cl)c(Cl)c1)C3=O)CN(C1CCCCC1)CO2 2322328591 CHLBRQUYEBTJHE-UHFFFAOYSA-N 444.358 6.403 30 10 IKEE COc1cccc(C=CC(=O)c2ccc3c(c2)CCCC3)c1OCc1cccc2ccccc12 2322339263 WTQSCDYQQFKOLS-UHFFFAOYSA-N 448.562 7.202 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2cc(C)cc(C)c2)cc1 2322371217 XOBDKRGCVWYPHK-UHFFFAOYSA-N 443.543 5.788 30 10 IKEE O=C(COc1ccc2ccccc2c1C=CC(=O)c1ccccc1)Nc1ccc(F)cc1 2322545561 BGIHNDGVDZMRPL-UHFFFAOYSA-N 425.459 5.893 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(C)cc2)c1OCc1cccc2ccccc12 2322593583 MXBYNASPYVKASM-UHFFFAOYSA-N 442.942 7.285 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccccc1OCc1c(Cl)cccc1Cl 2322638159 HYOALGBVOFETMK-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1c(F)cccc1Cl)C2=O)c1cccc(Cl)c1 2322906339 CEEORLZGYZVHEZ-UHFFFAOYSA-N 429.230 5.968 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1cc(Cl)ccc1OCc1ccccc1F 2322931756 QYOPHTMGJRCPAT-UHFFFAOYSA-N 445.317 6.925 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2C)C1=O 2323332240 MAZPSPHPVMSCNI-UHFFFAOYSA-N 429.428 5.355 30 10 IKEE C=CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(F)cc2)C3=O)c1 2323854665 LKPCEUBWXCUCOY-UHFFFAOYSA-N 430.431 5.534 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OCC(=O)Nc1cccc(C)c1 2323959701 KEZNVVPTKVFQGQ-UHFFFAOYSA-N 443.543 5.924 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OCC(=O)Nc3nccs3)c(Cl)c2)ccc1F 2323970573 WTIYVXDJTRUBFD-UHFFFAOYSA-N 430.888 5.158 30 10 IKEE Cc1cc(O)c(CN2C[C@@H](C)C[C@H](C)C2)c2c1C(=O)C(=Cc1cn(C)c3ccccc13)O2 2324055110 AAUSMVDBEWCWNO-IRXDYDNUSA-N 430.548 5.286 30 10 IKEE COc1ccc(C=C2Oc3cc(OCCCOc4ccccc4)ccc3C2=O)cc1OC 2324234381 RVATYUMCEJCGOD-UHFFFAOYSA-N 432.472 5.168 30 10 IKEE CCCCOC(=O)COc1ccc2c(c1C)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2324295012 JVXSEZKCUZROGJ-UHFFFAOYSA-N 442.511 6.000 30 10 IKEE COc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccc(F)cc4)cc(C)c3C2=O)cc1 2324312709 SJFMUWIFWLDOGA-INIZCTEOSA-N 447.462 5.165 30 10 IKEE CCCOC(=O)COc1c(Cl)cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1OC 2324356788 XSVUQMSQTMXSGY-UHFFFAOYSA-N 446.927 5.202 30 10 IKEE CCOc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 2324395111 ZHJAQOUHUCKBNO-GOSISDBHSA-N 443.355 6.405 30 10 IKEE C=C(C)COc1ccc(C=CC(=O)c2ccc(OCC)cc2OCC)cc1Br 2324494113 QMJTVMKEPIDZGU-UHFFFAOYSA-N 445.353 6.098 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccccc1C 2325535526 RVAYHNWFQFPEEI-UHFFFAOYSA-N 433.408 6.410 30 10 IKEE COc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc4ccccc4c3)c2)cc1 2325700647 DVXSPAUJLYKABA-UHFFFAOYSA-N 438.479 5.729 30 10 IKEE O=C(CCOc1ccccc1)Oc1cccc(C=CC(=O)c2ccc(Cl)cc2Cl)c1 2325709663 OXYHSFUHPBOECW-UHFFFAOYSA-N 441.310 6.264 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cccc(Oc4ccccc4)c3)c2)cc1 2325738431 ARWNHTWMDHUOQG-UHFFFAOYSA-N 434.491 6.903 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2cccs2)c1)c1ccc(Oc2ccccc2)cc1 2325754843 FRZVXHZMGCQRSU-UHFFFAOYSA-N 426.493 6.656 30 10 IKEE CCCCCCCCC(=O)Oc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC 2325764433 WJJPHWXSYQPVJT-UHFFFAOYSA-N 436.592 7.173 30 10 IKEE CSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1cc(Cl)ccc1O 2325902043 VVAJGEDCLSBFPO-UHFFFAOYSA-N 444.988 5.426 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1cccc(Cl)c1 2326083998 VUEDMXVOINFPTO-UHFFFAOYSA-N 449.407 5.981 30 10 IKEE CCCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1cccc(Cl)c1 2326145988 WEDTWXLETYEWAZ-UHFFFAOYSA-N 449.407 6.165 30 10 IKEE COc1ccc(C=Nn2c(C)nnc2SCc2ccc(C)cc2C)cc1Br 2326432822 DUBYPGYJQQBAAF-UHFFFAOYSA-N 445.386 5.149 30 10 IKEE CCCCc1nnc(SCc2ccc(Br)cc2)n1N=Cc1cccc(O)c1 2326625543 MUSDMFNUGHNKRR-UHFFFAOYSA-N 445.386 5.263 30 10 IKEE CCCSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc(OC)c(OC)c1 2327978468 MIKMOZBHVIXFOV-UHFFFAOYSA-N 444.988 5.118 30 10 IKEE CCCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc(OC)c(OC)c1 2328075562 LWDQLGPKGASDPE-UHFFFAOYSA-N 444.988 5.118 30 10 IKEE CCCCC1CCC(c2nnc(SCC)n2N=Cc2cc(OC)ccc2OC)CC1 2328147367 RWFOSJIDPCOYST-UHFFFAOYSA-N 430.618 5.754 30 10 IKEE COc1ccccc1OCc1nnc(SCc2ccccc2)n1N=Cc1cccs1 2328275992 MVTDCVWXOWPZGT-UHFFFAOYSA-N 436.562 5.102 30 10 IKEE COc1ccc(C=Nn2c(CCc3cccs3)nnc2SCc2cccc(C)c2)cc1 2329644193 IKRHUMKDSFMXLL-UHFFFAOYSA-N 448.617 5.616 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2cccc3ccccc23)cc1 2329995097 MWYSVUULIANFJR-UHFFFAOYSA-N 448.595 6.505 30 10 IKEE Cc1ccc(CSc2nnc(Cc3cccs3)n2N=Cc2ccc([N+](=O)[O-])cc2)cc1 2330316545 GVQUPNPJZAMDRX-UHFFFAOYSA-N 449.561 5.322 30 10 IKEE C(=Nn1c(Cc2cccs2)nnc1SCCc1ccccc1)c1c[nH]c2ccccc12 2330398588 SODBBZNPLPPQPK-UHFFFAOYSA-N 443.601 5.629 30 10 IKEE Fc1cc(Br)ccc1C=NNC(=S)NC1CCCCCCCCCCC1 2330472286 NLFVKPFKZDEYGL-UHFFFAOYSA-N 442.442 6.060 30 10 IKEE COCC(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1Br 2330808814 QXOLOBPWIKLEPI-UHFFFAOYSA-N 444.108 5.204 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2)n1N=Cc1ccc(Cl)cc1Cl 2330844934 WZXSIGHZZNKTJK-UHFFFAOYSA-N 433.408 6.348 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3ccccc3Cl)cc2)c1 2330910793 CANNCXHKZYQWMT-UHFFFAOYSA-N 434.919 6.309 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1cccc(F)c1 2331039540 NPATWKUKEFVSHT-UHFFFAOYSA-N 435.407 5.248 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2C2CCCC2)cc1 2331049563 PLGZPTYPOWJWHX-UHFFFAOYSA-N 438.572 6.038 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SCCC)nnc2C2CCCC2)cc1OC 2331081635 RVRVUZFDIDQYMP-UHFFFAOYSA-N 430.618 5.898 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)CCc1ccccc1C 2331183397 FKKUYEFCSKIQJW-UHFFFAOYSA-N 440.539 6.166 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)c(F)c3)c(Cl)c2)c(C)c1 2331224330 MRIZPNIYDYDJQI-UHFFFAOYSA-N 426.846 6.350 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)c(C)c3)c([N+](=O)[O-])c2)cc1 2331273503 KNLZORNKRXTBSD-UHFFFAOYSA-N 429.472 5.564 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3)cc2OC)CC1 2331293235 LGGKLDOUAWFRQQ-UHFFFAOYSA-N 434.576 6.802 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)c1ccccc1C 2331493097 VLVBOSQBHDTTHR-UHFFFAOYSA-N 444.527 6.251 30 10 IKEE CCc1ccc(C=Nn2c(SCC(=O)Nc3ccccc3C)nnc2C2CCC2)cc1 2331499685 GPHOVBQANHSETC-UHFFFAOYSA-N 433.581 5.029 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)[C@H]2CCCO2)c(Cl)c1 2331548692 WCGFOVJZIYQFTE-HSZRJFAPSA-N 442.939 5.627 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)Cc1cccs1 2331673492 VQSUUNFIAONPRY-UHFFFAOYSA-N 436.529 5.426 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccccc3F)nnc2C(C)C)cc1OC 2331698474 BTQQMGSTRFCDIR-UHFFFAOYSA-N 428.533 5.122 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3Cl)c(Cl)c2)cc1C 2331705720 CRQQDMPPTHOAOJ-UHFFFAOYSA-N 439.338 6.654 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cc(C)ccc3C)cc2)c(OC)c1 2331716804 QZPLSFBFGBLEJW-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3)c(Cl)c2)cc1Cl 2331818884 WKNBQUIOMWFGHL-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2cc(C)c(OC)cc2C)cc1OCC 2331854156 XZWYSKBKAYTDRJ-UHFFFAOYSA-N 438.564 6.483 30 10 IKEE CC(C)(C)CC(=O)Oc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] 2331860800 PBSDGASRJJQUSV-UHFFFAOYSA-N 436.291 6.139 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Br)cc(COC)c1 2362282397 SVDRLKZTIYZKMN-RTBURBONSA-N 441.410 5.106 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(C)cc(Br)c1OC 2365246314 OYTWVSDLLMPSTN-ZWKOTPCHSA-N 441.410 5.276 30 10 IKEE COc1ccc(-c2nnc(SCc3cccc(C#N)c3)n2-c2ccccc2)cc1OC 4186253 DDMQVOJODFMUKX-UHFFFAOYSA-N 428.517 5.115 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)/C=C/c2ccccc2Cl)nc2c(C)cccc12 12240757 MDCNDZFLMFWEKY-ZHACJKMWSA-N 427.895 5.214 30 10 IKEE COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)c1O 21241061 ACCLRLGSCRSXBQ-CPJLOUKISA-N 446.934 6.034 30 10 IKEE C=CCc1ccccc1OCCn1c(C(c2ccccc2)c2ccccc2)nc2ccccc21 40210444 LNSKWLDHSXNGQS-UHFFFAOYSA-N 444.578 7.024 30 10 IKEE O=C1/C(=C\c2ccc(N3CCCC3)o2)S/C(=N/C2CCCCC2)N1C1CCCCC1 59138459 CKWUEBOPSPRAHB-TXDBTXQPSA-N 427.614 5.818 30 10 IKEE C=C(C)COc1cccc(NC(=O)CNc2cccc(C(=O)N(CC)c3ccccc3)c2)c1 66090807 VWVCZHQRTAKKDE-UHFFFAOYSA-N 443.547 5.359 30 10 IKEE CC(C)(C)c1csc(NC(=O)CCN(Cc2cccc3ccccc23)C2CC2)c1C#N 96769250 YZLUIHPYDKAEFS-UHFFFAOYSA-N 431.605 6.064 30 10 IKEE CCCCCCCOc1ccc(CNCc2ccc(C)cc2)c(OCCCCCCC)c1 100045493 QXYMXVCGSDKOPH-UHFFFAOYSA-N 439.684 7.983 30 10 IKEE CCN(CC)c1ccc(/C=N/c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 100046130 XNRHEXXCDYORPV-KOEQRZSOSA-N 425.529 5.223 30 10 IKEE CCCCCCCOc1cccc(NC(=O)CNc2cccc(NC(=O)CCC)c2)c1 100095666 OMPJVMYIJYRKRY-UHFFFAOYSA-N 425.573 5.825 30 10 IKEE CCN1C(=S)N[C@H](c2ccc(OC3CCCCC3)cc2)C(C(=O)c2ccccc2)=C1C 169931678 FHROMPCLCSPMAD-XMMPIXPASA-N 434.605 5.806 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@H]2c2cccc(C)c2)cc1 169969480 YXVKRXPUHBBCRM-XMMPIXPASA-N 443.499 5.185 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 169975233 YBSCQVRYNXVCEH-QHCPKHFHSA-N 435.564 5.161 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2cccs2)ccc1F 169984303 JSWUVOICBFTTAK-HXUWFJFHSA-N 441.911 5.940 30 10 IKEE CCCCCCCCN1C(=O)C(Sc2ccc(Cl)cc2)=C(c2ccc(F)cc2)C1=O 169986214 VDJYRAXAASAONM-UHFFFAOYSA-N 445.987 6.712 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@H]1c1cccnc1 170005782 AKHIJGBPTQIOGL-HSZRJFAPSA-N 432.907 5.145 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@H]2c2ccncc2)ccc1F 170018347 NBBNZLSSZCGLEW-FQEVSTJZSA-N 440.833 5.105 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]2c2ccncc2)ccc1F 170021692 JKOIAYFWDPWACB-OAQYLSRUSA-N 436.870 5.274 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(C(C)C)cc1 170066066 VKODCDNQSXYKLS-JOCHJYFZSA-N 441.955 5.467 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2ccccc2C)cc1 170086307 LOWNUSUPWUPHQW-XMMPIXPASA-N 443.499 5.185 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2CCCN(C)C)c1 170146171 WCZWULXWXWHMJA-XMMPIXPASA-N 448.607 5.131 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1cccs1)c1ccc2c(c1)CCCC2 170154242 FVZCORKNIUMVGW-NRFANRHFSA-N 435.570 5.467 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccs2)ccc1OC(C)C 170159333 JACZUMPHRBWUET-JOCHJYFZSA-N 433.529 5.627 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccs2)cc1 170159752 JHPZWUMORCROKU-NYHFZMIOSA-N 431.513 5.163 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cccs1 170161451 XUVPHMRQPYVGCV-HSZRJFAPSA-N 429.541 5.718 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1ccncc1 170206476 VXKSBXPSPKQJCM-OAQYLSRUSA-N 448.906 5.143 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCC)cc1 170216012 FBOYARHIMUSLBZ-RUZDIDTESA-N 447.575 5.733 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1ccccc1 170223929 SKIQFOUTUDODHF-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1ccc(Cl)cc1 170236825 INRGSJZNLZJMPM-QRQCRPRQSA-N 439.939 5.432 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(F)cc2)cc1 170239891 KMIJHZNUYQEHQD-DEOSSOPVSA-N 445.490 5.706 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2C)cc1OC 170272421 ZRCGHEMTDIGMRG-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccco2)cc1 170283364 PFWXXGASNLMQLI-HSZRJFAPSA-N 431.488 5.412 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1ccco1 170290668 XPJIUVLLUJSXIK-LJQANCHMSA-N 445.805 5.003 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 170467208 HEPSJSCJEDWSIU-DEOSSOPVSA-N 443.543 6.483 30 10 IKEE O=[N+]([O-])c1ccc2c(C=Nc3ccc(-c4nc5ccccc5s4)c(O)c3)c(O)ccc2c1 254559225 ZZUDPWAVPADLNF-UHFFFAOYSA-N 441.468 6.187 30 10 IKEE C[C@@H]1CCc2c(sc(N=Cc3cc(Br)c(Br)s3)c2C#N)C1 254836209 QLMADRXMNAORFG-MRVPVSSYSA-N 444.217 6.082 30 10 IKEE CCCCCCCCCCNC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C 389207931 HJTWMRHQIMXGLN-UHFFFAOYSA-N 429.646 5.135 30 10 IKEE Cc1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)cc1B1OC(C)(C)C(C)(C)O1 404973370 TZFVDNZZMAUNQJ-UHFFFAOYSA-N 443.352 5.126 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2c[nH]c3ccccc23)c1 526490259 UXPMQHGBIYQETO-VWLOTQADSA-N 435.483 5.495 30 10 IKEE N#Cc1cccc(NC2=C(Sc3ccc(Cl)cc3)C(=O)N(c3ccc(F)cc3)C2=O)c1 526663235 JUFFKGDLADLZIV-UHFFFAOYSA-N 449.894 5.340 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1cccc(Cl)c1Cl 526807380 YMTJCMMZEBQZIZ-KSEXSDGBSA-N 439.799 6.365 30 10 IKEE CCCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1ccccc1O 526814344 FNYXLRUXLGSUAT-FMCGGJTJSA-N 435.380 5.808 30 10 IKEE CCOc1ccc(/C=N\n2cnnc2SCc2c(Cl)cccc2Cl)cc1OC 526814428 NXTQRVOHNVJVEJ-RMORIDSASA-N 437.352 5.167 30 10 IKEE CCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1c(C)[nH]c2ccccc12 526829083 SKFHNEBWKRDWPL-QRVIBDJDSA-N 434.525 5.103 30 10 IKEE CCc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2cccc(C(F)(F)F)c2)cc1 586242226 PGWUKBNKZOMYSH-UHFFFAOYSA-N 444.478 5.535 30 10 IKEE CCCN(CCC)C(=O)Nc1ccc(C(=O)Nc2scc(C(C)(C)C)c2C#N)cc1 586680711 QFXUAFXUFLSKJL-UHFFFAOYSA-N 426.586 5.823 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCC[C@@H](C(F)(F)F)C1 698455570 KYSMOQSAGQNSPR-ACJLOTCBSA-N 447.295 6.205 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@@H]3C[C@@H](CN3C(=O)OC(C)(C)C)C2)cc1 709364073 NVEFHWIECIGKPM-KNOQFWTLSA-N 441.572 5.418 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)C1 724070176 MIKSYANVFACXHD-WAIKUNEKSA-N 449.979 5.669 30 10 IKEE C/C=C\C=C\C(=O)Nc1ccc(Cc2ccc(NC(=O)/C=C/C=C/C)c(C#N)c2)cc1C#N 1084258794 NEBKHYYLYUQIJR-ISPNVYJOSA-N 436.515 5.162 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)S/C1=N/c1ccc(O)cc1C(=O)O 1614234065 BSONVBUOFDHRET-QUZRMXCXSA-N 437.304 5.021 30 10 IKEE CN1C(=O)/C(=C/c2ccc(-c3ccccc3Cl)o2)SC1=Nc1cccnc1Cl 1772735296 GTDRMWCXACMAHA-GQZSXMDHSA-N 430.316 5.882 30 10 IKEE O=C(O)c1cccc(N=C2S/C(=C\c3c[nH]c4ccccc34)C(=O)N2c2ccccc2)c1 1772738631 WRZZIBCIMQEXDM-NDMCFCFYSA-N 439.496 5.675 30 10 IKEE C=CCN1C(=O)/C(=C(\C)c2ccc(N)cc2)SC1=Nc1nc(-c2ccccc2)cs1 1772739296 SQUNTQLLUGWLLD-OIYMOPNQSA-N 432.574 5.572 30 10 IKEE N#Cc1ccccc1NC(=O)Nc1ncccc1OCC(=O)c1ccc(-c2ccccc2)cc1 1858860452 JHZZCVKYEUQECH-UHFFFAOYSA-N 448.482 5.526 30 10 IKEE C[C@H]1CCCC[C@@H]1N(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 1859951330 XTHPHKMPTUZZIG-DJJJIMSYSA-N 447.394 7.089 30 10 IKEE CCSc1ccc(Cl)cc1CC(=O)NCCCCCC(=O)Nc1ccccc1C#N 1860866344 CRDAFYKWKCIHNU-UHFFFAOYSA-N 444.000 5.181 30 10 IKEE CCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)COc1ccc(C)cc1C(C)(C)C 1861633273 ABHCLCFPVLRRAA-AREMUKBSSA-N 432.649 5.433 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)/C=C/c1ccc(C(=O)OC)cc1 1861768626 VAGMFTFICNICEB-IWCMWKPHSA-N 444.616 5.028 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(OC)c2)cc1 1862390593 HPSYEKKXNIFPCE-XMMPIXPASA-N 445.515 5.409 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(F)cc2)cc1 1862391255 WNSAHOKEEHCBRW-XMMPIXPASA-N 444.506 5.342 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2cccc3ccccc23)cc1 1862397787 SCVHOFIYYOKXCQ-IQGLISFBSA-N 443.543 5.142 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(C(C)(C)C)cc1 1862404922 ISDZJAKWWCMCLT-GAJHUEQPSA-N 435.564 5.678 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(F)cc1 1862430658 OWVSUKPICQOQFZ-JOCHJYFZSA-N 443.946 6.418 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccc(C)cc2)cc1 1862474722 SMVYALYRBLAIBM-RUZDIDTESA-N 425.528 5.644 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862474812 VTUZGTIOQDXACO-DEOSSOPVSA-N 429.491 5.475 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccccc2C)c1 1862507234 HCUTWBKGZBWPGA-DEOSSOPVSA-N 429.491 5.529 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1c(Cl)cccc1Cl 1862509171 ZOTONKVIUUFSIF-BUXKBTBVSA-N 436.310 5.818 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(CC)cc1 1862530810 YJIQNTWZLLTCHI-AZGAKELHSA-N 447.619 6.749 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1ccc2cc[nH]c2c1 1862641660 YDQNWQYKRFXWDX-JOCHJYFZSA-N 436.483 5.084 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(O)cc2)cc1 1862661020 BKPQSAQDYXQZSF-RUZDIDTESA-N 441.527 5.337 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2cccc(F)c2)cc1 1862661475 BZFPRVJVOUAFDS-AVRWGWEMSA-N 443.518 6.289 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1c(Cl)cccc1Cl 1862667812 KPNMJMDIYGZFFN-SPLOXXLWSA-N 446.374 6.494 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862678091 NXVYKPSHBRLJHI-QFIPXVFZSA-N 439.527 5.127 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862708191 OKAXGYUHGGYYFA-UZUQRXQVSA-N 437.536 5.251 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCCCCCCC)cc2)[C@@H]1c1ccc(O)cc1 1862732314 FRMYSDYMIREQQO-DEOSSOPVSA-N 449.547 5.506 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862755543 CYJSIXBAYIERTD-NRFANRHFSA-N 436.508 5.127 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1c(Cl)cccc1Cl 1862760570 RDAQIDYHRNSIOW-ZMZPIMSZSA-N 449.290 5.278 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C(F)(F)F)cc3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862905434 NCXPUYJMODORFI-UHFFFAOYSA-N 447.416 5.282 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccccn2)=C(c2ccc(F)cc2)C1=O 1863507575 VYXLVRPJGZMVSS-UHFFFAOYSA-N 437.559 5.231 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2Cl)C(=O)N(Cc2cccc(C)c2)C1=O 1863778588 CJLDEXJTNFCEQD-UHFFFAOYSA-N 438.999 5.879 30 10 IKEE CCCCCCCCn1cc(OCCCCCC)c(=O)cc1CN1CCN(CC)CC1 1870676453 GZTQWWDDYOSXDA-UHFFFAOYSA-N 433.681 5.305 30 10 IKEE CCCCCCCCn1cc(OCC)c(=O)cc1CNc1ccc(Br)cc1C 1870788819 XVRUOPKETFGMAV-UHFFFAOYSA-N 449.433 6.291 30 10 IKEE CCCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(C)c(C)c1 1871252570 IKMSSGRVFAYTLN-UHFFFAOYSA-N 443.591 6.108 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc4c3CN(CCOc3ccccc3)CO4)C2=O)cc1 1871346715 SKGYCYCHROFEEZ-XYGWBWBKSA-N 427.500 5.096 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2)Oc2c1ccc1c2CN(Cc2cccc(Cl)c2)CO1 1871347979 INGXAJDLQFXTCA-JJFYIABZSA-N 438.310 5.962 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3cc(C)ccc3C)CO4)C2=O)cc1 1871348352 AMXJMSLHJCNWOJ-WGARJPEWSA-N 441.527 5.670 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 1871369266 CGGOFCXTAQUSEU-FHCMCQOFSA-N 440.495 5.932 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O 1871369470 MVYLZUFHGOZACR-IWIPYMOSSA-N 448.902 6.029 30 10 IKEE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871376829 GLBIFULQTKCSSS-HMSZGEISSA-N 432.859 5.584 30 10 IKEE C=CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871389581 DASCQCAXSZVUKI-UCQKPKSFSA-N 430.431 5.534 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCCCCOc4ccccc4)cc(C)c3C2=O)cc1 1871403451 MJYVLJTWGKOUPH-ITYLOYPMSA-N 428.528 6.412 30 10 IKEE COc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O 1871412448 RVDSHGNXHDVOLP-VRHSPDTKSA-N 449.890 5.371 30 10 IKEE O=C1/C(=C/C=C/c2ccccc2)Oc2cc(OCc3cccc(Oc4ccccc4)c3)ccc21 1871436508 BKJLLXSMBWIATC-RTZRHAOQSA-N 446.502 7.230 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(C)c(C)c2)[nH]c(N(C)Cc2ccccc2)n1 1871526380 RDGGBSYNCZGGOB-UHFFFAOYSA-N 446.643 6.063 30 10 IKEE Cc1cc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)ccc1Cl 1872760094 HBINSFVDICTDAJ-HXUWFJFHSA-N 432.932 6.180 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3cc(C)c(Cl)c(C)c3)n2)cc1C 1872765078 GOWUWAKFJHRJDX-SFHVURJKSA-N 440.952 5.653 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccccc3C(C)C)n2)cc1 1872765158 IRHZDVWKPWOXHT-XXBNENTESA-N 446.616 6.920 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(Oc4ccccc4)c3)n2)cc1F 1872775712 YGMPDQYCRMSNMF-HXUWFJFHSA-N 444.487 6.240 30 10 IKEE Cc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 1872779921 URTQCQRVAAZKQJ-JOPVOSQUSA-N 436.536 6.801 30 10 IKEE COc1cc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(Cl)cc3)n2)c(OC)cc1Cl 1872781723 YJAMIXBGBHKNFO-HNNXBMFYSA-N 447.343 5.553 30 10 IKEE CCCCCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc1 1872782091 CWZBPIJLJKIMJJ-QHCPKHFHSA-N 432.589 6.876 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)COc3c(C)ccc(C)c3C)n2)c(OC)c1 1872784585 VAGHAEKBQQYPNI-LJQANCHMSA-N 436.533 5.008 30 10 IKEE COc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc1OC 1872786354 IDASCWSKVLABOE-FNQPIQQGSA-N 432.545 5.642 30 10 IKEE CCCOc1ccc(CC(=O)[C@H](C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)cc1 1872787334 HNRPZEQJFPAQCP-NRFANRHFSA-N 434.561 5.643 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1Cl 1872789673 QIBLXCNQLUYNJG-LBPRGKRZSA-N 448.287 5.524 30 10 IKEE C=CCc1ccccc1OCc1ccc(C(=O)NCc2ccc(C(=O)OCC)cc2)cc1 1872858919 BAZUNIOHJYIMPV-UHFFFAOYSA-N 429.516 5.101 30 10 IKEE CCCCCCCCNC1=C(c2c(Cl)cccc2Cl)C(=O)N(CCCC)C1=O 1873096049 SEWFOEBOUYRXJG-UHFFFAOYSA-N 425.400 5.824 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164636 KNBHDLGAMAAGLW-UHFFFAOYSA-N 449.639 5.924 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)c(F)c2F)=C(c2cccnc2)C1=O 1873268839 ICEGBZOBDXBBBR-UHFFFAOYSA-N 431.458 5.051 30 10 IKEE C=CCn1c(C(=O)NCc2ccccc2Cl)cc2c(N(CCC)CCCC)ncnc21 1873591812 RQFKVRBUWUXQHF-UHFFFAOYSA-N 439.991 5.217 30 10 IKEE CCCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccncc1 1874193773 HLHXAOOBUVEPKT-MFKUBSTISA-N 444.004 5.339 30 10 IKEE C=C(C)CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccccc1O 1874217663 RYVDQEPGWJGXOW-BHGWPJFGSA-N 442.972 5.383 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1cccc(OC)c1 1874224317 DTTJLYJHAGKFAU-XIEYBQDHSA-N 436.581 5.021 30 10 IKEE CCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874232592 XRZDEVAXSSJPGZ-LFVJCYFKSA-N 431.521 5.119 30 10 IKEE CCSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1ccc(Cl)cc1Cl 1874326879 KMFXOUKCYNDMMP-FOKLQQMPSA-N 435.380 5.775 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3C)n2/N=C/c2cccnc2)c1 1874362733 UHXFMPBXRTWGMF-OGLMXYFKSA-N 441.604 5.558 30 10 IKEE C=CCSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(OCC)c(OC)c1 1874367908 PNEDIZUUOJUGON-OEAKJJBVSA-N 428.945 5.166 30 10 IKEE Cc1cccc(/C=N/n2c(Cc3ccccc3F)nnc2SCc2cccc(F)c2)c1 1874374920 USWHCGFDFXNJRK-JFLMPSFJSA-N 434.515 5.630 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccc(F)cc3)n2/N=C/c2ccccc2)c1 1874379761 KXQWANOHLUAXSG-JVWAILMASA-N 430.552 5.799 30 10 IKEE COc1cc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccccc2)ccc1O 1874407732 MUAIPBNIVUEMCU-PCLIKHOPSA-N 436.581 5.290 30 10 IKEE CC(C)c1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCCc2ccccc2)cc1 1874418181 CRZWJNYKOVDOIJ-VFCFBJKWSA-N 440.616 6.209 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2[C@@H]2CCCO2)c1 1874451232 UZWOPYWAPLZYRB-PGLVWIQMSA-N 442.972 5.356 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2[C@H]2CCCO2)c1 1874453793 SDAXECGHWYORTE-QVHMZZSFSA-N 447.391 5.919 30 10 IKEE Clc1ccccc1/C=N/n1c(SCc2cccc3ccccc23)nnc1C1CCCC1 1874456159 DIZWLSDMGRKMHC-JVWAILMASA-N 447.007 6.917 30 10 IKEE CCCSc1nnc(C(F)(F)F)n1/N=C/c1ccc(OCc2ccccc2C)cc1 1874462111 MPVJYSXWPICQFC-DHRITJCHSA-N 434.487 5.569 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccccc1F 1874480433 WNRABKBYLHLDDH-WYMPLXKRSA-N 437.371 6.241 30 10 IKEE Cc1ccc(CSc2nnc(C(C)(C)C)n2/N=C/c2ccc(Br)cc2)cc1 1874481187 UFJIAKZNDNKGOO-YDZHTSKRSA-N 443.414 5.821 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccccc1Cl 1874508472 FPJJRKKMJMTETG-FOKLQQMPSA-N 439.799 6.365 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2ccc(Cl)c(Cl)c2)nnc1C1CC1 1874523612 XSFHWMPWVQFYSV-FOKLQQMPSA-N 433.364 5.645 30 10 IKEE CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccc(Cl)cc1Cl 1874524768 FQHATEIDRDJXDO-UFFVCSGVSA-N 436.324 5.230 30 10 IKEE Clc1ccc(/C=N/n2cnnc2SCc2c(Cl)cccc2Cl)c(Cl)c1 1874538886 BYSBHQNDFDWKEZ-QPJQQBGISA-N 432.163 6.066 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)N[C@H](C)c2ccccc2)c1 1874580483 PQQGYALSIPQOSM-VSFZPWCASA-N 447.962 6.109 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2cccc3ccccc23)cc1C 1874588105 UXFAWLBYYDWETM-WYMLVPIESA-N 426.943 7.585 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3c(C)cccc3C)c2)cc1 1874593568 QGWZPVGHDLNVSH-OBGWFSINSA-N 441.571 6.560 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2cccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)c2)c1 1874594618 TYMXJVSODGLCOC-IZZDOVSWSA-N 430.460 5.125 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2cccc(/C=C/C(=O)c3cccc4ccccc34)c2)c1 1874597294 DYKVODRKIZIGLA-FOCLMDBBSA-N 435.523 6.370 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 1874613960 WHWOEULSVQPZBH-MKMNVTDBSA-N 427.327 6.867 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OCc2cc(C)ccc2C)c([N+](=O)[O-])c1 1874619598 IYGHFACZUMYAGM-CSKARUKUSA-N 431.488 6.004 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(Br)c1OCC 1874623142 OCXYUBKSZZTQQT-OUKQBFOZSA-N 425.322 6.296 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2ccc(OCc3cc(C)ccc3C)cc2)cc1Cl 1874637406 YKPBDFGZEDQNBG-DHZHZOJOSA-N 441.354 7.094 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OC(=O)COCc1ccccc1 1874699129 FUCOMEIZOGNCJN-ZRDIBKRKSA-N 436.891 5.367 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccc(C)cc3)c2)cc1 1874701672 FKUVYTOYFHQWKT-OQLLNIDSSA-N 444.527 5.837 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3cc(F)ccc3F)c2)cc1 1874709568 HSOCUBXXTPWBEB-AWNIVKPZSA-N 436.454 5.969 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(Cl)s2)CSc2nnc(COC)n21 1874874679 DIIFXGGDSHMXOV-AWEZNQCLSA-N 443.038 5.202 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OC(=O)CC1CCCCC1 1875095735 DTJHWOZCTZRHJT-RVDMUPIBSA-N 428.528 6.620 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3)c(Cl)c2)cc1OC 1875098337 DONCGVNGSCBVMT-XCVCLJGOSA-N 440.854 5.612 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3F)c(Cl)c2)cc1 1875100356 ZQBMIWZMRPPRGJ-VZUCSPMQSA-N 426.846 6.296 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cc(OC)ccc3OC)cc2)cc1 1875103753 NTGTWKRRSOCCPY-OQLLNIDSSA-N 430.500 5.310 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)cc3)cc2Cl)cc1 1875114388 RETDSJBIELPZOL-OVCLIPMQSA-N 448.946 6.345 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1 1875122672 HGDFCZOBKHCMNE-CXUHLZMHSA-N 436.891 5.619 30 10 IKEE O=C(CC12CC3CC(CC(C3)C1)C2)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1Cl 1875128230 UBNJSNPONYYIHS-SOFGYWHQSA-N 434.963 6.748 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OCC)cc2)cc(OC)c1OC(=O)c1ccccc1 1875130469 IAINDDWJKPQZRW-SFQUDFHCSA-N 442.511 5.938 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)c1cccnc1 1875135023 WBNNQTUOPDSNJE-CSKARUKUSA-N 435.907 5.866 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)CC3CCCCC3)c(OC)c2)c1 1875146895 HAHBGXKMTPHKMV-FMIVXFBMSA-N 438.520 5.484 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)c1ccccn1 1875156681 JAMOSYMQAAKBLB-MDWZMJQESA-N 449.934 6.372 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2OC)ccc1OC(=O)c1ccccc1C 1875177115 ZVHWZFCKQASBNR-GXDHUFHOSA-N 446.499 5.526 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)COc1ccc(C)c(C)c1 1875179330 ZDFNTRRKYVOBOV-XYOKQWHBSA-N 444.527 5.809 30 10 IKEE COCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1Cl 1875185889 TZOHVGLSPOPNQE-HWKANZROSA-N 443.710 5.493 30 10 IKEE C=CCn1c(C(=O)N(CCCC)CCCC)cc2c(NCc3ccccc3F)ncnc21 1875231201 DQHNOXBTZQTNKC-UHFFFAOYSA-N 437.563 5.411 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C12CCCC2 1880369387 PIOWWKBYSIFLIV-VWLOTQADSA-N 441.572 5.250 30 10 IKEE N#CC1(c2ccc(C(=O)N[C@H]3CCc4nc5ncc(-c6ccccc6)cc5cc4C3)cc2)CC1 1891000161 AZJNYELXVIPLHY-VWLOTQADSA-N 444.538 5.139 30 10 IKEE CCCCCCCC[C@@H](CCCN(Cc1ccccc1)C(=O)OC(C)(C)C)NCCC 1915233390 OQEVAZPVOSANCN-VWLOTQADSA-N 432.693 7.323 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]12CCC[C@@H]1CN(C(=O)OC(C)(C)C)C2 1922078490 XAEFGQLNURRYPX-UMFSSWHCSA-N 428.617 5.165 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)[C@H](CNC(=O)OC(C)(C)C)CCC12CCC2 1924918291 ARUFTAKHUHKGBP-XFAGBWLFSA-N 435.609 5.389 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1926494780 ZCROMVOMAGGSPK-NYHFZMIOSA-N 435.952 5.231 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc([C@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)c1 1944063140 GSDBGTTURPTMJQ-IBGZPJMESA-N 443.569 6.097 30 10 IKEE C#Cc1cccc(NC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)c1 1984725273 FGEVHAOIANQVEU-AREMUKBSSA-N 438.527 5.170 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C1(C)C 1988071394 QLPFMEDFQZAUQO-JOCHJYFZSA-N 435.952 5.373 30 10 IKEE CC1(C)CC[C@@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)[C@@H](OCc2ccccc2)C1 1998838208 AQQGZVGJFIGLEW-AVRDEDQJSA-N 440.506 5.844 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@](C)(C#N)[C@]1(C)CCN1C(=O)OC(C)(C)C 1999898889 XRNYCSDRMFREED-XZOQPEGZSA-N 449.979 5.763 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(C)C 2004154626 GMKDYDCBTVQGNF-HJOGWXRNSA-N 430.633 5.267 30 10 IKEE C=CCC1([C@@H](NC)c2c(C)sc(C)c2Br)CN(C(=O)OC(C)(C)C)C1 2027383233 HXERGEDHPLCPNR-INIZCTEOSA-N 429.424 5.201 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)C23CCC3)c1 2057185393 NTOIAGOCBKRDQX-RUZDIDTESA-N 441.572 5.562 30 10 IKEE C#CC(C)(C)C[C@H](N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071362186 ZVYFOLHTPBNMSM-IGKIAQTJSA-N 429.560 5.255 30 10 IKEE CC1([C@H](c2ccc(C(F)(F)F)cc2F)n2nc(C(F)(F)F)c(C=NO)c2Cl)CC1 2079970804 XRUWYUUEDSJBMI-ZDUSSCGKSA-N 443.750 5.911 30 10 IKEE Cc1cc(C)c([C@@H](C2CC2)n2nc(C3CCC3)c(C#N)c2I)c(C)c1 2080012857 VGTRKWPXCRJOCJ-HXUWFJFHSA-N 445.348 5.552 30 10 IKEE CCOc1ccc([C@@H](n2nc(C(C)(C)C)c(C=NO)c2Br)C2(C)CC2)cc1 2080106589 ALHAACSUQXRWNQ-GOSISDBHSA-N 434.378 5.539 30 10 IKEE CCc1cc(Br)c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)s1 2089744616 ZNVOQLSCLKCDJQ-MRXNPFEDSA-N 439.350 6.218 30 10 IKEE O=C(C1=C[C@H]2CC[C@H]1C2)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2136697203 KVIBYAYGEQWXHI-LXWOLXCRSA-N 440.539 5.803 30 10 IKEE C=CCN(CC[C@@H](NCCC)c1nc(C(C)C)[nH]c1Br)C(=O)OC(C)(C)C 2155520569 DZABVIGEJAHASN-OAHLLOKOSA-N 443.430 5.150 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)Nc2ccc(F)cc2C#N)c1 2181053643 NUFVBWUYICEVGM-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE C#CC[C@H](C[C@H](NCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1)C1CC1 2196852353 AOSFBILPMLJYPS-UZLBHIALSA-N 435.406 5.886 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](Cc2cc(Br)ccc2C)NCCC)C1 2197748193 JSHODDZZYQICQI-IBGZPJMESA-N 437.422 5.282 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCC12CC(F)(F)C2 2230728585 QDCFTGSXPYZJNB-SFHVURJKSA-N 427.289 5.662 30 10 IKEE C[C@@H](CC(=O)C#Cc1ccccc1Br)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2235731431 PZLGRIWYRQOYTM-WMZOPIPTSA-N 434.374 5.043 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)cc1OC 2239649842 LNSKZACOOYUJGR-IEBWSBKVSA-N 441.410 5.358 30 10 IKEE C=C(C)CCCC[C@@H](N)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2271756620 TVEQCRHQRCIUNO-RTBURBONSA-N 425.411 5.349 30 10 IKEE CC1(C)OB(c2cccc(F)c2COc2ccc(OCc3ccccc3)cc2)OC1(C)C 2273778449 ZAENXDKPXRPOKV-UHFFFAOYSA-N 434.316 5.283 30 10 IKEE CC1(C)OB(c2csc(C(=O)Nc3cc(Cl)ccc3Cl)c2Cl)OC1(C)C 2281944293 COCYASQPIBHFQL-UHFFFAOYSA-N 432.565 5.260 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Br)cc(C(C)(C)C)c1 2288655373 UAIHAUHZNJCPMT-RTBURBONSA-N 439.438 5.867 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCC(=O)O)c1cc(Br)cc(C(C)C)c1 2291142992 HWFCBMPGBBVILU-QFIPXVFZSA-N 433.342 5.488 30 10 IKEE CCCCCCCCOc1ccc(C=C2C(=O)N(C)C(=O)N(c3ccccc3)C2=O)cc1 2295891522 DQVBMVAKVVDTEQ-UHFFFAOYSA-N 434.536 5.435 30 10 IKEE CCCC1(C(=O)C#Cc2cccc(Br)c2)CCN(C(=O)OC(C)(C)C)CC1 2296217935 ZDMNRRFPCWILML-UHFFFAOYSA-N 434.374 5.187 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H](CC(C)C)NC(=O)OC(C)(C)C 2296218558 FRIRYOBESRTCOF-WOJBJXKFSA-N 437.422 5.108 30 10 IKEE CCCC[C@@H](C[C@@H](C#Cc1ccc(Br)cc1)NCC)NC(=O)OC(C)(C)C 2296299743 YUZTYJWXTQTFDW-UXHICEINSA-N 437.422 5.252 30 10 IKEE COc1ccc(C=C2C[C@@H]3[C@@H]4CCc5cc(OC(C)=O)ccc5[C@@H]4CC[C@@]3(C)C2=O)cc1 2297109188 FJIRFWDJPBXNKB-QALYSUAOSA-N 430.544 5.739 30 10 IKEE CN(C)c1ccc2c(c1)SC(=CC1=CC(=C3C(=O)c4ccccc4C3=O)CCC1)N2C 2297612447 DXHVINZQNLGCDG-UHFFFAOYSA-N 428.557 5.622 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2)C(=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21 2297616786 FOXZQROSFZSNNW-UHFFFAOYSA-N 448.822 5.253 30 10 IKEE Cc1scc(C(=O)N(Cc2ccccc2)[C@@H](C)C(C)C)c1B1OC(C)(C)C(C)(C)O1 2303625124 YWSURJKDTTWCQB-KRWDZBQOSA-N 427.419 5.043 30 10 IKEE CC1(C)[C@@H](C(=O)Nc2ccccc2N=CC=Cc2ccc([N+](=O)[O-])cc2)CC[C@]1(C)C(=O)O 2313652960 SQGJAJWFORJZOI-KBMIEXCESA-N 449.507 5.476 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 2314429451 HNPDTRUTYFUNAL-UHFFFAOYSA-N 448.946 6.761 30 10 IKEE CC(=C1SC(=Nc2ccncc2Cl)N(C2CCCCC2)C1=O)c1ccc(O)cc1 2314543116 VZXKXSHVTLIMHQ-UHFFFAOYSA-N 427.957 5.767 30 10 IKEE CSC1(C#C[C@@H](O)c2ccc(Br)cc2NC(=O)OC(C)(C)C)CCC1 2314663606 YTOCJQUWTFXAIJ-MRXNPFEDSA-N 426.376 5.119 30 10 IKEE N#Cc1ccc(CSc2cc(I)ccc2Br)cc1 2316465599 NQHGVGZWEUHLDX-UHFFFAOYSA-N 430.108 5.218 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(C(=O)OC)cc1 2321020523 GXWBJIAHIUKQCI-UHFFFAOYSA-N 449.363 5.108 30 10 IKEE CC(C)[C@H]1C[C@@H](Nc2ccc(Br)c(C#N)c2)CN1C(=O)OCc1ccccc1 2321252443 GWDVIUWCOARFNI-TZIWHRDSSA-N 442.357 5.168 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1cccc(Br)c1)O3)CN(CCC(C)C)CO2 2322234994 ASSKTAHMZUWZMH-UHFFFAOYSA-N 442.353 5.572 30 10 IKEE CCOc1ccccc1C=Nn1c(S)nnc1CCCOc1cc(C)c(Cl)c(C)c1 2322286399 ZPVQGZUCUJHPDT-UHFFFAOYSA-N 444.988 5.130 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1cccc(F)c1)C3=O)CN(Cc1ccc(Cl)cc1)CO2 2322305520 MXHTYXNEFXCJLX-UHFFFAOYSA-N 435.882 5.756 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2nccs2)cc1 2322557947 YWEQJLOUGBOJEP-UHFFFAOYSA-N 442.924 5.109 30 10 IKEE CCCOc1c(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc(Br)cc1OC 2322585836 HGVCHDFKZMPQTL-UHFFFAOYSA-N 444.152 6.449 30 10 IKEE Cc1c(OC(=O)c2ccccc2)ccc2c1OC(=Cc1c(Cl)cccc1Cl)C2=O 2322662878 OZHSRYFGICRROC-UHFFFAOYSA-N 425.267 6.137 30 10 IKEE COc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)c1 2322724603 MQWGIBHGAROCRV-UHFFFAOYSA-N 442.511 6.137 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2ccccc2)cc1 2322737862 FJEQBLYCRUPNHC-UHFFFAOYSA-N 433.935 6.377 30 10 IKEE COc1c(Br)cc(Br)cc1C=CC(=O)c1ccc(F)c(F)c1 2322781421 DIDNVUOCLSOIJR-UHFFFAOYSA-N 432.058 5.395 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)c1OCCCO 2322807291 LNULLASSHDBIAD-UHFFFAOYSA-N 438.907 5.798 30 10 IKEE Cc1cc(OC(=O)Cc2ccccc2)cc2c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O2 2322884785 VAEHEHHWILOILM-UHFFFAOYSA-N 426.512 6.057 30 10 IKEE Cc1c(OC(=O)c2ccc([N+](=O)[O-])cc2)ccc2c1OC(=Cc1ccccc1Cl)C2=O 2323149447 YINVSRBUKMVFLO-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1 2323332040 NBYHGZYJBJYJEQ-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OCc3cccc(F)c3)c(OC)c2)cc1C 2323561233 RXRIFVVPUGXPRH-UHFFFAOYSA-N 436.479 5.635 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(Cl)c1OCc1ccc(Cl)cc1 2323601900 HEQMTLPVCFGNGK-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)cc1 2323627475 CPBBSBNBAWJMHC-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE CCCOc1ccc(C=NNc2nc(-c3ccccc3)c(C)s2)cc1Br 2323865568 UFUADKQSWSLCEW-UHFFFAOYSA-N 430.371 6.116 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCc3c(Cl)cccc3Cl)c([N+](=O)[O-])c2)cc1 2323900819 YAPGOPIMDDSQMF-UHFFFAOYSA-N 442.298 6.685 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OCc1cccc(Cl)c1 2324141005 XDQAJVMCUWSBSC-UHFFFAOYSA-N 442.942 7.367 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OCc1cccc(Cl)c1 2324196936 GUUJRASLEVFNND-UHFFFAOYSA-N 436.910 6.691 30 10 IKEE COc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1ccc(C)cc1)C2=O 2324473963 MTGYJSICHKOVFG-GOSISDBHSA-N 443.499 5.334 30 10 IKEE COc1ccccc1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)OC(=Cc1sccc1C)C2=O 2324474174 BHTFOMIECMDLPQ-INIZCTEOSA-N 449.528 5.396 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4cccc(C)c4C)ccc3C2=O)cc1 2324498622 UCTWLJLPQVGBAM-LJQANCHMSA-N 427.500 5.634 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2ccc(OC)c(Cl)c2)cc1 2324608319 OIZNNNLWCNBVHQ-UHFFFAOYSA-N 449.934 5.825 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccc5ccccc5c4)c3C)C2=O)c1 2324962943 KNMAAHYOLMAXML-UHFFFAOYSA-N 449.506 6.090 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(c4ccccc4)c4ccccc4)cc(C)c3C2=O)cc1 2325216057 YCBPGJFZHWQQFF-UHFFFAOYSA-N 448.518 6.788 30 10 IKEE Cc1cccc(C=Nn2c(CCc3ccccc3)nnc2SCc2cccc(Cl)c2)c1 2325467527 YQGXDAFIQGFNJN-UHFFFAOYSA-N 447.007 6.200 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3)n2N=Cc2ccc(O)c(O)c2)c1 2325490116 DMNGQYQCHYHWKE-UHFFFAOYSA-N 444.560 5.071 30 10 IKEE CC(=O)c1ccccc1NC(=O)COc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O 2325565342 AOFXQAZGFDYLPI-UHFFFAOYSA-N 447.874 5.176 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(C(=O)O)cc1 2325571529 UCMWHALNWDVMFQ-UHFFFAOYSA-N 449.363 5.410 30 10 IKEE Cc1ccc2nc(-c3ccc(NC(=O)C(=O)C=Cc4ccccc4[N+](=O)[O-])cc3)sc2c1 2325701342 RRNFKTSDTCOBSF-UHFFFAOYSA-N 443.484 5.401 30 10 IKEE COc1ccc(C(=O)Oc2cc(C=CC(=O)c3c(C)c(C)cc(C)c3C)ccc2OC)cc1 2325756386 SQLVSAWRSVLJOG-UHFFFAOYSA-N 444.527 6.053 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1ccccc1C 2325909909 MLRUCUUTSQHFBN-UHFFFAOYSA-N 433.364 5.633 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccc(C(C)C)cc1 2326545797 ITLJDGQNTOUZHD-UHFFFAOYSA-N 443.016 6.327 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccccc1OCC(C)C 2326570024 SSIGIRSTANYGPF-UHFFFAOYSA-N 446.979 5.842 30 10 IKEE CCCOc1cccc(C=Nn2c(CCc3cccc(OC)c3)nnc2SCCC)c1 2328653008 USSBRGGUKPIYOK-UHFFFAOYSA-N 438.597 5.245 30 10 IKEE CSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1ccc(OCc2ccccc2)cc1 2329381303 VYKJYGSKHJTTND-UHFFFAOYSA-N 442.588 5.669 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1ccc(C(C)(C)C)cc1 2329421928 HUTJCAHHNRHQOK-UHFFFAOYSA-N 432.637 6.334 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2)n1N=Cc1ccc(F)cc1F 2329485069 JELRDXLKRMEBHA-UHFFFAOYSA-N 448.542 5.824 30 10 IKEE Cc1ccc(CSc2nnc([C@@H](C)c3ccccc3)n2N=Cc2ccc(Cl)cc2)cc1 2330052650 YNBSVFAHJFXTCU-IBGZPJMESA-N 447.007 6.566 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccccc3)nnc2[C@@H](C)c2ccccc2)cc1O 2330109146 JWXQXYOVVVBPRJ-SFHVURJKSA-N 444.560 5.319 30 10 IKEE CC(C)(C)CC(=O)Oc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-] 2330603239 BZLQCQXPBMKNBM-UHFFFAOYSA-N 443.499 6.500 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3C)c([N+](=O)[O-])c2)cc1 2330750097 BFRBJFQNPHAKAT-UHFFFAOYSA-N 443.499 5.900 30 10 IKEE COc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccc(F)cc2)cc1OC 2330810526 LTIZLCNFLRRZAX-UHFFFAOYSA-N 442.560 5.198 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccco1 2330820889 UMYIKTAPSMEGIV-UHFFFAOYSA-N 431.271 6.100 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(OC)c(OC)c3)cc2)cc1C 2330854884 UIVYGXPJGXEUCC-UHFFFAOYSA-N 446.499 5.065 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2ccccc2)c1 2331018593 SVZKLXDDTXYUBZ-UHFFFAOYSA-N 433.581 5.166 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc4cc(Cl)ccc4n3)cc2)c(C)c1 2331216271 LKZHJIDXDNKJMM-UHFFFAOYSA-N 441.914 6.620 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2ccccc2Cl)cc1 2331382196 JKIFWYVIYDMCPU-UHFFFAOYSA-N 441.988 5.150 30 10 IKEE Oc1ccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CCC2)c(O)c1 2331541874 KHLOTTVUEILHGG-UHFFFAOYSA-N 449.363 5.438 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1ccc(C)c(C)c1 2331709553 JVUXZJMCYMWEQC-UHFFFAOYSA-N 428.528 6.434 30 10 IKEE C=CCNC(=O)c1c(NC(=O)C=Cc2ccc(Cl)c(Cl)c2)sc2c1CCCC2 2331726495 REDSYIBVCJFOBD-UHFFFAOYSA-N 435.376 5.501 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)cc3)c(Cl)c2)cc1C 2331841010 VFVLUBXSWMLKIQ-UHFFFAOYSA-N 434.919 6.389 30 10 IKEE CCCCc1ccc(-n2nnc(C#N)c2NC(=O)C=Cc2ccc(Cl)c(Cl)c2)cc1 2332188270 BXIHCICLXAUTPV-UHFFFAOYSA-N 440.334 5.440 30 10 IKEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(C)c2C)c1 3023102 MFYBZSGHIZDOHY-UHFFFAOYSA-N 438.524 5.076 30 10 IKEE Cc1cc(Br)c(O)c(/C=N/c2ccc(-c3nc4ccc(C)cc4o3)c(O)c2)c1 3184583 BSLIGPVPIHCSPU-BHGWPJFGSA-N 437.293 6.036 30 10 IKEE CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(-c4ccccc4)cc3)c2C#N)C1 9347615 XKTMAGUNKKLATL-UHFFFAOYSA-N 431.517 5.054 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(Cl)cc2)cc1 21237107 ZHJPVXQYEUOLPO-WINIVTDRSA-N 444.962 6.718 30 10 IKEE CC(C)Oc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc3ccccc3c2)cc1 21247952 VFLMGPPNCSEHOY-VWNXMTODSA-N 425.528 5.631 30 10 IKEE CCCn1cc(CN/C(=N/C(=O)c2cccc(Cl)c2)Nc2cc(C)cc(C)c2)c(C)n1 32973007 MJLOJGXPRSXUAX-UHFFFAOYSA-N 437.975 5.270 30 10 IKEE COc1ccc(-n2c(-c3ccc(F)cc3)cc(/C(C)=N\OCc3ccccc3F)c2C)cc1 35843469 WDDZGOCDIUHQSF-YKQZZPSBSA-N 446.497 6.680 30 10 IKEE C[C@H]1CCc2c(C#N)c(NC(=O)CCCOc3ccc(Cl)cc3)sc(=S)c2C1 41015544 DHVRHMWYVRQUFE-ZDUSSCGKSA-N 432.998 5.925 30 10 IKEE N#CC1(C#N)[C@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)N2c3ccc(Cl)cc3C=C[C@H]21 43896065 VMZONVWPTOGZEA-GVAUOCQISA-N 435.914 5.624 30 10 IKEE Cc1ccccc1/C=C1\S/C(=N/N=C\c2ccc([N+](=O)[O-])cc2)N(Cc2ccco2)C1=O 47139071 XXBOMPNRPGYMIM-TZOGYSKPSA-N 446.488 5.003 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccccc4)nn32)cc1 54642274 VWNPAICDUHWLGN-HSZRJFAPSA-N 444.604 5.890 30 10 IKEE COc1ccc([C@H](C2=C(O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)c(C)c1C 100131105 WMSHOYRXJZLYRD-QFIPXVFZSA-N 426.553 5.171 30 10 IKEE O=C1/C(=C/c2cccc3ccccc23)S/C(=N/c2ccncc2Cl)N1c1ccccc1 101127718 CWOIIWVSRVWRAV-PCCIGMJHSA-N 441.943 6.697 30 10 IKEE CCCCCCCCCCn1c(CCCNC(=O)c2cccc(C)c2)nc2ccccc21 102151013 MKADAUNEULOLAB-UHFFFAOYSA-N 433.640 6.848 30 10 IKEE Cc1nc(N2C(=O)C(=O)/C(=C(\O)c3cccs3)[C@H]2c2ccc(Cl)cc2)sc1C 103097860 QFQZHKKLTOPBNJ-CFBLSMTOSA-N 430.938 5.101 30 10 IKEE Cc1ccc(CN2c3ccsc3C(=O)/C(=C\Nc3cc(C)ccc3C)S2(=O)=O)cc1 103133538 FWKOGAZNEVNWLC-FYJGNVAPSA-N 438.574 5.160 30 10 IKEE CC[C@H]1CS/C(=N/c2ccccc2)N1C(=O)CSC(c1ccccc1)c1ccccc1 105070805 BKZAEAIZWWPNJV-YQMJRWHPSA-N 446.641 6.551 30 10 IKEE O=C1/C(=C\Nc2ccc(F)c(Cl)c2)S(=O)(=O)N(Cc2ccccc2)c2ccsc21 105335988 WCESJOOQGMNZBA-WOJGMQOQSA-N 448.928 5.027 30 10 IKEE CCCCCCCCCCOc1ccc(C(=O)O/N=C2/C(=O)N(C)c3ccccc32)cc1 105448650 OBVKIDMSWVHBBI-SOYKGTTHSA-N 436.552 5.744 30 10 IKEE CCCCCCCCCCCC(=O)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 105549691 FEZSFQXBNSOJGQ-UHFFFAOYSA-N 426.988 8.008 30 10 IKEE CCCCCCCCCCCC(=O)NC[C@H](C)NC(=O)CCCCCCCCCCC 108862807 OKKKJZZCJNGBCN-VWLOTQADSA-N 438.741 7.449 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccc(C)c(C)c2)c1 169932636 PSUJICCPQKJWBL-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccc(OC)c2)c1 169936843 VQWHWPYFMODSNR-XMMPIXPASA-N 443.499 5.185 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)c(C)c2)[C@@H]1c1ccc(O)c(OCC)c1 169974382 AKUXIRSRVWNTMF-QHCPKHFHSA-N 437.536 5.176 30 10 IKEE CCCCCCCCN1C(=O)C(Sc2ccccc2)=C(c2ccc([N+](=O)[O-])cc2)C1=O 169979183 STJDVFMVWQZGAT-UHFFFAOYSA-N 438.549 5.828 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2cccs2)c1 169988920 KRXQJSAMLAJKRW-QFIPXVFZSA-N 444.512 5.017 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(Cl)cc2)cc1C 170056684 VWZORTIUXLKGKW-NRFANRHFSA-N 437.948 5.797 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccc(F)cc1)c1c[nH]c2ccccc12 170060858 VHMPINXWIKRSCI-QFIPXVFZSA-N 448.400 5.368 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccccc2F)c1 170069000 HUWJIWIABJQPAT-QHCPKHFHSA-N 442.446 5.099 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@H]1c1ccc(OC)cc1 170115990 BLWWROZPJLGTNZ-HSZRJFAPSA-N 437.536 5.206 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(O)cc1 170133514 ZJJZGSJWVBFAFM-XMMPIXPASA-N 443.499 5.271 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2c2ccccc2)c1 170141713 TWVKVCCBYLVUQI-NRFANRHFSA-N 438.310 6.085 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccc(C)c2)cc1Cl 170142790 WOVNBOCEARAKBA-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(C4CCCC4)[C@H]3c3cccc(C)c3)oc12 170148720 SPKSSUIAMLFJRN-QFIPXVFZSA-N 431.488 5.271 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccccn2)cc1Cl 170172386 GIEFZRVKBLGSEI-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@@H]1c1cccnc1 170195884 ZWLKQXKETXWTIO-QFIPXVFZSA-N 436.552 5.156 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@@H]1c1ccc(OCC)cc1 170213534 FOBHUDARHMSCAL-NRFANRHFSA-N 443.927 5.126 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(OCC)c1 170217761 XFBQQGYSHBSTHG-FQEVSTJZSA-N 448.346 5.771 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccccc2)c1 170227688 IXRPUXANFXPGGN-DEOSSOPVSA-N 443.499 5.271 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@H]1c1ccccc1F 170252551 ISDHSDKREVBNQA-HXUWFJFHSA-N 431.891 5.256 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)cc(Cl)c2OC)[C@@H]1c1ccccc1F 170252815 BRKQCXGPHJXFQF-KRWDZBQOSA-N 438.282 5.129 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2C)cc1C 170269978 FDIFETDFGAFZNO-JOCHJYFZSA-N 433.529 5.152 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(Br)cc2)=C(O)C(=O)N1C1CCCC1 170278402 YPFXGTRJFHCOMB-FQEVSTJZSA-N 440.337 5.278 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccc(C)o2)cc1C 170301835 PVLLFZLNLONBIT-QHCPKHFHSA-N 431.488 5.305 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2sccc2C)cc1C 170314434 AEJAYQJBULXIHO-JOCHJYFZSA-N 447.556 5.773 30 10 IKEE CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)C1=NNc1ccccc1C(F)(F)F 252462792 WIIHABIHGUOPRE-UHFFFAOYSA-N 443.454 5.328 30 10 IKEE CCc1ccc(N=C2S/C(=C/c3ccccc3F)C(=O)N2c2ccc(CC)cc2)cc1 252616595 KBLXMUMJJKKJAP-KISRHMMLSA-N 430.548 6.759 30 10 IKEE COCCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3)c2C)SC1=Nc1ccccc1 252638268 YAQQDEQVRJHYNY-SUOSWRNOSA-N 431.561 5.345 30 10 IKEE COc1cc(/C=C2/SC(=Nc3ccccc3)N(C)C2=O)ccc1OCc1ccccc1 254814233 CXJNHLANPRLTRL-MPVWDOOLSA-N 430.529 5.508 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1ccccc1N=Cc1cccnc1Cl 254841265 PGTXYAHKAXNBKU-OAHLLOKOSA-N 444.387 6.567 30 10 IKEE N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(C=NNc2c(F)c(F)c(F)c(F)c2F)cc1 254849330 QPSNZUWFJPUUOP-UHFFFAOYSA-N 448.307 5.400 30 10 IKEE Cc1ccc(N2C(=O)/C(=C3\Sc4ccccc4N3C)SC2=Nc2ccccc2C)cc1 254872693 SPBFAUGXCXAEJD-CJKMRZRNSA-N 443.597 6.482 30 10 IKEE C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@@H]1CCc1ccoc1CN1CCCCC1 504499631 FSLAVQGJZYEXIY-YLXXEMJTSA-N 427.629 6.150 30 10 IKEE biogenic CC(C)COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccccn2)c1 526488855 RBMOYXCCHROPPJ-DEOSSOPVSA-N 425.488 5.045 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccs2)cc1OC 526518090 VDXGTBYINDWLMY-QHCPKHFHSA-N 446.528 5.474 30 10 IKEE CCCCOc1ccc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526607363 VJNNUQSJODVKNZ-HSZRJFAPSA-N 430.529 5.856 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(Cl)ccc2O)cc1 526709469 GAEPITRGSPPAIV-QFIPXVFZSA-N 449.890 5.227 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1c(OC)ccc2ccccc12 526808406 IIVFVNBFZTYRPJ-PKAZHMFMSA-N 444.604 6.265 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1ccc(OCC)c(Cl)c1 526808633 YNACHQAFKUAZOD-OYKKKHCWSA-N 428.989 5.766 30 10 IKEE Fc1cccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccc(Cl)cc2)c1 526826074 SLEGWQCNESPMDV-YSMPRRRNSA-N 436.943 5.836 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@@H](NC(=O)c3ccc(Cl)s3)C2)c1 586045826 ABRHVWLMXVZROF-GOSISDBHSA-N 446.016 5.274 30 10 IKEE CC(C)(C)OC(=O)NC1(CC(=O)C2=CCCCCCC2)CCN(Cc2ccccc2)CC1 686819978 FDWNYNMTTIPFDI-UHFFFAOYSA-N 440.628 5.786 30 10 IKEE CCCCCCCC[C@H](N)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 693646478 BMCJDJUOALHGDJ-QHCPKHFHSA-N 431.665 5.624 30 10 IKEE O=[N+]([O-])c1ccc(-c2sc(N=Cc3ccccc3O)nc2-c2ccc(Cl)cc2)cc1 1084525438 WJLKLGMXNAGEFQ-UHFFFAOYSA-N 435.892 6.495 30 10 IKEE O=C1NC(=Nc2ccc(F)cc2)S/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 1084616155 ZHTXANYGQNAAHG-BKUYFWCQSA-N 449.463 5.205 30 10 IKEE CC(C)(CSc1cccc(F)c1F)C(=O)NCc1c(F)c(F)c(F)c(F)c1F 1088686659 JPALUHBULSJCBP-UHFFFAOYSA-N 425.369 5.095 30 10 IKEE C[C@]12CCCC[C@H]1CC[C@H]1[C@H]2CC[C@@]2(C)/C(=N\N=C\c3ccccc3C(F)(F)F)CC[C@H]12 1613971505 FHIHDASURXFVSB-MGTHKFCNSA-N 444.585 7.913 30 10 IKEE CCc1ccc(/C=C2/SC(=Nc3cccc(C(=O)O)c3)N(c3ccccc3)C2=O)cc1 1772734399 FGHIDUACFLOFQM-XKEFNESHSA-N 428.513 5.756 30 10 IKEE CN1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=Nc1ccncc1Cl 1772734650 QKBDMUXLUJLKHB-ONBPWHQPSA-N 440.868 5.137 30 10 IKEE Cc1c(C(=O)Oc2ccccc2)oc2c1C(=NNc1cccc(C(F)(F)F)c1)CCC2 1772751149 WGNWIWIQULVHMI-UHFFFAOYSA-N 428.410 5.979 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccc(F)cc1 1861376421 HRSFTSFQHWJVNZ-XMMPIXPASA-N 444.566 5.563 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(CC)cc1 1862385408 OPLSQIBCPSAPES-NRFANRHFSA-N 446.374 6.324 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(F)cc2)cc1 1862391302 XLRSTHZDSLFOPA-HSZRJFAPSA-N 433.479 5.540 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1c(Cl)cccc1Cl 1862416181 KVDJMPZPPWHMSH-QGZVFWFLSA-N 426.246 5.258 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(O)cc1 1862430409 JSKDEHLYBLSXGV-JTSKRJEESA-N 441.955 5.983 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccccc1Cl)c1cccc(Cl)c1 1862446578 VZAMHNXISDQYSL-IBGZPJMESA-N 428.271 5.365 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2ccccc2Cl)cc1 1862476983 RCNBKZJILXVYSP-DEOSSOPVSA-N 445.946 6.044 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862488924 LIRSBGVVMMJHQJ-CLOONOSVSA-N 441.527 5.652 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862502382 YGLKJDUQLBQQKS-DEOSSOPVSA-N 435.539 5.998 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccccc2C)c1 1862508352 ZRDUYOHACQSEPH-RUZDIDTESA-N 443.518 5.838 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc3c(c2)CCCN3C)ccc1F 1862509599 MDXWJIXTIRNRAA-XMMPIXPASA-N 448.538 5.037 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2cccc(OCCC)c2)cc1 1862520132 ASGJTXLTYZXVGR-HSZRJFAPSA-N 437.536 5.251 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1c(F)cccc1Cl 1862530932 BCTDNTCWIZTPSQ-NRFANRHFSA-N 445.918 5.046 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cccc(C)c1 1862543184 AFSLYLMFCNZYDW-RUZDIDTESA-N 431.576 6.032 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 1862621991 CRKBDNBSDUDZJI-HXUWFJFHSA-N 444.358 6.032 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1cccc(Br)c1 1862623918 FRAXWSISSBYWKA-LJQANCHMSA-N 442.353 5.345 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C(C)C)cc1 1862624184 UJVIRTOGQMTBPI-DEOSSOPVSA-N 448.607 5.817 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccc(F)c2)cc1 1862663574 UTRPJNMXTWWDFG-JOCHJYFZSA-N 435.520 5.789 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccccc2OC)cc1 1862673290 LKSZQVWNTHTGTG-DEOSSOPVSA-N 445.490 5.175 30 10 IKEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(C)c2)cc1 1862674145 KFFRTNTUBUANPW-XDHUDOTRSA-N 445.490 5.482 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(Cl)cc1Cl)c1ccc(F)cc1 1862683912 WERBYSVJFMSPMI-LJQANCHMSA-N 434.294 5.653 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@@H]2c2ccccc2C)cc1 1862687795 PQBQTPNITZESBO-RUZDIDTESA-N 441.527 5.133 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccccc2Cl)C1=O 1863445832 LQOLNZNRMNQCSB-INIZCTEOSA-N 427.891 5.165 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2C)=C(c2c[nH]c3ccccc23)C1=O 1863492581 BICVCJUGGBFTKG-UHFFFAOYSA-N 429.564 6.029 30 10 IKEE CCc1nc(Nc2ccccc2C#N)cc(N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)n1 1868286319 FJWINZRWWACBEI-QHCPKHFHSA-N 425.580 6.293 30 10 IKEE N#Cc1ccccc1Nc1cc(N2CC[C@@H](c3ccco3)C2)nc(-c2ccc(Cl)cc2)n1 1868438173 SZVKOELQDAKSND-LJQANCHMSA-N 441.922 5.999 30 10 IKEE CCCCCCCCn1cc(OCCCCCCC)c(=O)cc1CN(CC)CCCC 1870413255 XEOPILQVQWAVJA-UHFFFAOYSA-N 434.709 7.180 30 10 IKEE CCCCCCCOc1cn(Cc2ccncc2)c(CNc2ccc(N(C)C)cc2)cc1=O 1870835822 KIYMIJIRGVXZQK-UHFFFAOYSA-N 448.611 5.319 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCC)c(=O)cc1CNc1cccc(C)c1C 1871148854 YTCKUHZIGJECTL-UHFFFAOYSA-N 442.600 5.380 30 10 IKEE CCCCCN1COc2c(cc3c(c2C)O/C(=C\c2ccc(N(CC)CC)cc2)C3=O)C1 1871352495 LYCYEPFBEXQESF-IWIPYMOSSA-N 434.580 5.800 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4Cl)ccc3C2=O)cc1 1871374227 YRMFDJOZZZPFBX-FBHDLOMBSA-N 435.819 5.392 30 10 IKEE CCCOc1ccccc1/C=C/C(=O)Oc1ccc2c(c1C)O/C(=C\c1ccco1)C2=O 1871375983 MXAFCPMLGFADMB-JXGQZURYSA-N 430.456 5.612 30 10 IKEE Cc1cc(OC(=O)/C=C/c2ccc(C(C)C)cc2)cc2c1C(=O)/C(=C/c1cccc(F)c1)O2 1871380018 RVSKJPUESSDMEX-JPDAZOMVSA-N 442.486 6.493 30 10 IKEE Cc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1cccc(Cl)c1)C2=O 1871409601 SFGQGXUXUZVKNI-NQRZERFFSA-N 447.918 5.979 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871412192 WHDCZPYVSDPCSE-PGECNJAHSA-N 431.488 5.481 30 10 IKEE CCCCCCCCCOc1cc(C)c2c(c1)O/C(=C\c1ccc(C(=O)OC)cc1)C2=O 1871429666 NLCNOYKVPKVVKA-ULJHMMPZSA-N 436.548 6.527 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4c(C)cccc4C)ccc3C2=O)c1 1871430752 APXJDYIQVDEMFD-QHSFOXILSA-N 427.500 5.634 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(Cl)cc2F)ccc2c1O/C(=C\c1ccccc1)C2=O 1871440441 PFMHRQFKBVTLHD-NHDPSOOVSA-N 437.854 5.421 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)CC 1871855339 DSBDBGILVCCNPO-QHCPKHFHSA-N 444.597 5.204 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1C(C)C)C(C)C)S(=O)(=O)c1cccs1 1872439483 VHBSLTPXFGAQSK-OAQYLSRUSA-N 434.627 5.102 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccccc1CC)C(C)C)S(=O)(=O)c1c(C)cc(C)cc1C 1872467915 PXHSFXOKVXJDDI-QHCPKHFHSA-N 442.625 5.014 30 10 IKEE COc1cc(OC)cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1 1872769257 NNIANCVJEHLKIJ-OAHLLOKOSA-N 433.316 5.624 30 10 IKEE COc1ccc(C)cc1-c1csc([C@H](C#N)C(=O)COc2ccc(C)cc2C(C)(C)C)n1 1872771408 UABPMYKDTOHKIP-LJQANCHMSA-N 448.588 5.988 30 10 IKEE Cc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 1872772135 ADNZKKNRQZHTSO-QFIPXVFZSA-N 432.589 6.452 30 10 IKEE N#C[C@@H](C(=O)/C(=C\c1ccccc1)c1ccccc1)c1nc(-c2c[nH]c3ccccc23)cs1 1872776909 AGDMWMDRPFCNJF-AMCKHAKVSA-N 445.547 6.708 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)COc3ccc(Cl)cc3)n2)cc1C 1872787251 FJERTUURXXMZEN-SFHVURJKSA-N 426.925 5.344 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 1872787840 SSNQEAPLNCLCLO-DNXKIMQPSA-N 443.355 6.405 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(Cl)c2C)cc2c(NCc3ccccc3C)ncnc21 1873618930 OPTUDIZARIAHQD-UHFFFAOYSA-N 445.954 5.752 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccco1 1874376145 HLVWYJOCCOZBCZ-ZMOGYAJESA-N 426.904 5.429 30 10 IKEE Cc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccccc2C)cc1 1874398327 ANSDUWZYVMIUIS-OVVQPSECSA-N 426.589 5.855 30 10 IKEE CN(C)c1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2-c2ccco2)cc1 1874468754 WLTFJWUNOAUILC-ZVHZXABRSA-N 437.956 5.432 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2ccccc2C)cc1 1874483942 VTRXZVSCEPEFGB-MFKUBSTISA-N 435.597 5.059 30 10 IKEE CCOc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2ccc(Cl)cc2)cc1 1874491239 GUCWMTOTGJHZRP-ZVHZXABRSA-N 428.989 5.703 30 10 IKEE CCOc1cc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C2CC2)ccc1O 1874523146 YQHWJCKSYNOFQC-BHGWPJFGSA-N 446.935 5.227 30 10 IKEE Cc1ccc(COc2ccc(/C=N/n3c(S)nnc3[C@@H](C)c3ccccc3)cc2)cc1 1874561413 QISFROOAMIHQIX-JHKMYFMNSA-N 428.561 5.488 30 10 IKEE CCCNC(=O)COc1c(/C=C/C(=O)c2ccc3ccccc3c2)cc(Cl)cc1OC 1874571262 DQPSXROEDQUMSH-ZHACJKMWSA-N 437.923 5.303 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)c1OCc1cc(C)ccc1C 1874585804 GQIVLQXUKBIDEN-OUKQBFOZSA-N 430.544 6.413 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCc3ccccc3)ccc3ccccc23)c2ccccc12 1874592026 OPZFPONUVDZANF-FBMGVBCBSA-N 444.530 7.477 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OCCCO)c2)cc1 1874597829 GVTPZFRFBNRYJY-OQLLNIDSSA-N 426.553 5.702 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(OC)c1OCc1cc(C)ccc1C 1874626178 QAXXXBDTMZMIJJ-JXMROGBWSA-N 438.470 6.074 30 10 IKEE COc1ccccc1OCC(=O)Oc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC 1874701223 HPLNFNWOWRZKHU-JLHYYAGUSA-N 446.499 5.201 30 10 IKEE COc1cccc(OCC(=O)Oc2cc(/C=C/C(=O)c3ccc(C)cc3C)ccc2OC)c1 1874702518 VAKFJJBAIDLGQU-FMIVXFBMSA-N 446.499 5.201 30 10 IKEE Cc1cc(C(=O)/C=C/c2cccc(OC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)c2)ccc1F 1874703928 ODZVOWDDSDQWNB-RQIGGHQESA-N 434.894 6.393 30 10 IKEE O=C(CCCOc1ccccc1)Oc1cccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)c1 1874705828 BRQDQYLTCLESKL-ACCUITESSA-N 444.483 5.119 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OC(=O)c1ccc(N(C)C)cc1 1874708266 UPNNFNXVAQGHMG-OMCISZLKSA-N 443.543 6.000 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3ccccc3C)c(OC)c2)cc1 1875103640 IOUFGCIPLFXTCQ-SDNWHVSQSA-N 434.919 6.335 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3cccc4ccccc34)c(Cl)c2)c1 1875139560 OGSXEPMIOPFOSQ-WYMLVPIESA-N 440.926 7.225 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)ccc1OC(=O)CCc1ccccc1 1875152255 PJPMIUPMOIPLTL-UKTHLTGXSA-N 448.490 5.667 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1OC(=O)CC(C)(C)C 1875160000 VEJMLHXMPCVWIS-IZZDOVSWSA-N 429.444 5.370 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(F)c3)cc2)c1 1875161686 BZGLBFSRFWWKGI-NTEUORMPSA-N 436.454 5.934 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCC)c2ccc(Br)c(F)c2)C1 1894939519 OGMRRWWPGURFKX-QGZVFWFLSA-N 427.358 5.100 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CCC(C#N)(N(C(=O)OC(C)(C)C)C3CCCCC3)CC2)C1 1923324430 YRWXLRVAHQJIME-UHFFFAOYSA-N 447.620 5.630 30 10 IKEE CC1(C)CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Br)[C@H](CN)C1 1927159056 HEGIJTXPGKTBHX-BTYIYWSLSA-N 436.394 5.238 30 10 IKEE CC(C)N(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(Br)ccc1Br 1927790294 PQTFLMFXKIOKRM-AWEZNQCLSA-N 432.156 5.422 30 10 IKEE CCCCCCC[C@H]1C[C@@H](C(=O)O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21 1952437458 LRHDWYLZALDGOU-SFTDATJTSA-N 449.591 6.461 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 1996779733 QCYDFIYFAHCUEC-HJOGWXRNSA-N 428.617 5.021 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2CC(C#N)(N(C(=O)OC(C)(C)C)C3CCCCC3)C[C@@H]2C1 1996804887 CWZRLQZHEUJSRB-QZTJIDSGSA-N 433.593 5.095 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)C12CCC2 2005325492 KHVNQMBEVVDMME-XDHUDOTRSA-N 433.593 5.143 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@](C)(C#N)CSC(C)(C)C 2028150904 DRSNQRNOYOZGCO-LJQANCHMSA-N 427.408 6.005 30 10 IKEE CC(C)[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)CN1Cc1ccccc1 2029761517 GCRHWCJKRXGWIY-JYFHCDHNSA-N 437.559 5.760 30 10 IKEE C=CCOc1ccc(C=CC(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc1OC 2040843851 JGQMVRMZGQYQPF-UHFFFAOYSA-N 443.503 5.556 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)c(C)c(Br)c1)NCC 2063094793 KPXBIJCLRGHVIS-IRXDYDNUSA-N 431.802 5.011 30 10 IKEE Fc1ccc(C(F)(F)F)nc1-c1cc(Cl)n2nc(C(F)(F)F)c(C3CCC3)c2n1 2081307874 MIYPKQVYBPVIJF-UHFFFAOYSA-N 438.734 5.889 30 10 IKEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Cl)cc(Br)c1 2081563234 TXVDWLBWVXAQFW-IRXDYDNUSA-N 429.786 5.060 30 10 IKEE CCCCCCCC[C@H](O)c1ccc(Br)cc1I 2086144833 FKVCPJZLLKVQCJ-HNNXBMFYSA-N 425.148 5.838 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)cc1Br)NCCC 2088508948 CMISZKYXBQCGBO-ROUUACIJSA-N 445.829 5.483 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Br)c1Cl)NCCC 2110500488 KAKMFYCYILZOPZ-IAGOWNOFSA-N 445.829 5.483 30 10 IKEE Cc1ccc(C(=O)N2CCC[C@H](B3OC(C)(C)C(C)(C)O3)C2)cc1NC(=O)OC(C)(C)C 2124519908 ORJYKGRBGKFORX-SFHVURJKSA-N 444.381 5.040 30 10 IKEE C=CCC[C@H](C)[C@H](NCCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134733148 CXXPPNWAKBYJKQ-NGQVCNFZSA-N 443.631 7.488 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CNC2(CCCCC2)C1 2155298085 DIDQJGHJSZZBSA-NRFANRHFSA-N 434.378 5.149 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2ccc(C#N)c(Br)c2)c1F 2181136538 WGNQULFDMTUNQD-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCC[C@H]2CCCC[C@H]21 2201123377 PKZVAEXNNDQODO-PERKRYKHSA-N 433.390 6.443 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1sc(C)c(C)c1Br 2221829244 DQIJVYPPOKFCJU-GOEBONIOSA-N 429.424 5.085 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2ccc(Br)cc2C#N)C[C@H]2CCCC[C@@H]21 2240971796 GWZSFGRCLRJTNB-LJHODMEESA-N 434.378 5.301 30 10 IKEE C#C[C@H](NC(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCC1 2243910800 KNVSSBJDVFZXTF-VWLOTQADSA-N 444.575 5.002 30 10 IKEE C=CCCC1([C@H](N)c2cccc(Br)c2Cl)CN(C(=O)OC(C)(C)C)C1 2254999617 TUSNFJXMFUEGKI-MRXNPFEDSA-N 429.786 5.306 30 10 IKEE C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267269554 FTGHAVCMZKQVHT-LJQANCHMSA-N 447.409 5.451 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1cc(F)ccc1Cl 2268120129 RTNWJGVWQOSPLC-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE C=C([C@@H](OCCCN)c1cc(Br)c(Br)s1)[Si](C)(C)C 2276538398 ZUJJZXJPNJCOJI-GFCCVEGCSA-N 427.278 5.113 30 10 IKEE C=C(COCc1ccccc1)[C@@](C)(OCCCN)c1ccc(Br)cc1Cl 2277208743 IOYGWFGORZBFFV-OAQYLSRUSA-N 438.793 5.456 30 10 IKEE C=CCN1C(=O)C(=Cc2cc([N+](=O)[O-])ccc2OCc2ccc(Cl)cc2)SC1=S 2293175871 RATOWRWPHQWHRD-UHFFFAOYSA-N 446.937 5.214 30 10 IKEE C#CCN1C(=O)SC(=Cc2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)C1=O 2293374316 JSRJTDRTOMCTPD-UHFFFAOYSA-N 448.327 5.251 30 10 IKEE CCCN1C(=O)C(=Cc2c(OCC)ccc3ccccc23)SC1=Nc1ccc(C)cc1 2293729991 DQXVIDBRVRIHAD-UHFFFAOYSA-N 430.573 6.561 30 10 IKEE COc1cccc(C(=O)C=CNc2ccc(NC=CC(=O)c3cccc(OC)c3)cc2)c1 2295934417 UGZFJQIQAGKUKL-UHFFFAOYSA-N 428.488 5.321 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC 2296290976 JLXUZXQVQIGAHB-PWIZWCRZSA-N 437.422 5.108 30 10 IKEE CCn1cc(C=C2Oc3cc(OCc4ccc(Cl)cc4)ccc3C2=O)c2ccccc21 2296595868 MOTQDPBRQOQDMG-UHFFFAOYSA-N 429.903 6.510 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)C(=C(O)c4ccco4)[C@H]3c3ccccc3F)sc2c1 2296767367 XZQOAGHGJHTIHM-HXUWFJFHSA-N 448.475 5.217 30 10 IKEE C=CCNC(=S)N1N=C2C(=Cc3ccc(OC)cc3)CCC[C@H]2[C@@H]1c1ccc(OC)cc1 2296792960 KUDIFHJEAAEZSH-NOZRDPDXSA-N 447.604 5.361 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)C2(NC(=O)OC(C)(C)C)CCCC2)c1 2302427769 DRQRUYUNVYVCBJ-LJQANCHMSA-N 429.561 5.466 30 10 IKEE CC(C=NN=C1SC(=Cc2ccccc2)C(=O)N1Cc1ccco1)=Cc1ccccc1 2314841142 PNBVSPVBFBENEO-UHFFFAOYSA-N 427.529 5.841 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)C23CC(CCN2C(=O)OC(C)(C)C)C3)c1 2318782528 OWAAPBCCXNEVKZ-PSWPWZSKSA-N 441.572 5.418 30 10 IKEE O=C(C=Cc1cccc(OCc2ccccc2)c1)C(=O)Nc1cccc(C(F)(F)F)c1 2318788766 RDERMAYEUNXYRJ-UHFFFAOYSA-N 425.406 5.505 30 10 IKEE CSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1N=Cc1cccc(F)c1 2321347579 OPRXERDHUSZIRI-UHFFFAOYSA-N 439.343 5.340 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)cc1 2321348994 MPWRVGZPCFLOJY-VQTJNVASSA-N 441.572 5.418 30 10 IKEE O=C1C(=Cc2cccs2)Oc2c1ccc1c2CN(CCCc2nc3ccccc3[nH]2)CO1 2322192989 SEOVMQLHRSMFND-UHFFFAOYSA-N 443.528 5.025 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccccc1F)O3)CN(CCCCc1ccccc1)CO2 2322252165 XSFPSKWEPHDEJD-UHFFFAOYSA-N 443.518 5.925 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)N[C@H](C)c2ccccc2)cc1 2322359578 HUNIDQRZXLWSIZ-LJQANCHMSA-N 447.962 6.055 30 10 IKEE COc1cccc(C=CC(=O)c2cccc(Br)c2)c1OCc1ccc(C)cc1 2322466252 HDZZMOCRZGRSQL-UHFFFAOYSA-N 437.333 6.241 30 10 IKEE COC(=O)c1ccc(COc2c(C=CC(=O)c3cccc(Cl)c3)cccc2OC)o1 2322528131 VZANTKSJSZXAFG-UHFFFAOYSA-N 426.852 5.203 30 10 IKEE CCCOc1c(C=CC(=O)c2cc(OC)ccc2OC)cc(Br)cc1OC 2322667009 BAXMIOAKNDRJKQ-UHFFFAOYSA-N 435.314 5.160 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(F)cc2)c1OCc1c(F)cccc1Cl 2322748114 AZNVQOJHXOOLOA-UHFFFAOYSA-N 449.280 6.755 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2nccs2)cc1C 2322899777 MTGCIVXVYCFUKV-UHFFFAOYSA-N 426.925 5.327 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2cccc3ccccc23)cc1C 2322899798 UXFAWLBYYDWETM-UHFFFAOYSA-N 426.943 7.585 30 10 IKEE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(=Cc2c(F)cccc2Cl)C3=O)cc1 2322904168 NILOVFUFGRHDSR-UHFFFAOYSA-N 438.838 5.252 30 10 IKEE Cc1cc(OC(=O)c2cccc(Cl)c2)cc2c1C(=O)C(=Cc1ccccc1Cl)O2 2322907753 SZKWRRPVHFLHPP-UHFFFAOYSA-N 425.267 6.137 30 10 IKEE Cc1ccc(CCC(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1 2323078736 GSYDIIFXPDMBTF-UHFFFAOYSA-N 426.512 6.273 30 10 IKEE CCCNC(=O)COc1c(Cl)cc(C=CC(=O)c2ccc3ccccc3c2)cc1OC 2323387792 JMZMUZSCOPOPGV-UHFFFAOYSA-N 437.923 5.303 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1Cl)C2=O 2323485319 QAJAAAFBCLOWEZ-UHFFFAOYSA-N 431.315 6.485 30 10 IKEE Cc1cc(OC(=O)c2ccc(OC(C)C)cc2)cc2c1C(=O)C(=Cc1ccccc1F)O2 2323813407 HZNQFDGOHBTEDV-UHFFFAOYSA-N 432.447 5.757 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)cc(C)c3C2=O)c1 2323813627 JVXXGOQDXMNIGJ-UHFFFAOYSA-N 428.484 5.926 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 2323831444 NLOPLNNKYCPXJT-UHFFFAOYSA-N 427.327 6.867 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OCC(=O)Nc1cccc(C)c1 2323985691 YXFRYEWYCLRMRR-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE CC(C)c1ccc(C=C2Oc3c(ccc(O)c3CN3CCCc4ccccc43)C2=O)cc1 2324023714 KIMJFHZWKCCRRF-UHFFFAOYSA-N 425.528 6.085 30 10 IKEE Cc1cc(O)c(CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c2c1C(=O)C(=Cc1ccccc1F)O2 2324097658 PVNMQVVEWGBVIN-CLYVBNDRSA-N 435.539 5.857 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(OC)c(Cl)cc2OC)cc(Cl)c1OCC 2324412640 GCXAGSDUMHOGHG-UHFFFAOYSA-N 425.308 5.704 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCCOc3cccc(C)c3)cc(C)c2C1=O 2324536979 AAUJYBGTKIYKBC-UHFFFAOYSA-N 430.500 5.776 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc4c(c3)OCCO4)n2)cc1 2324545626 JWPMSWXCGAHYAG-FQEVSTJZSA-N 446.528 5.260 30 10 IKEE CC(C)COC(=O)COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1Cl 2324652271 QWWGAHFULIOQAO-UHFFFAOYSA-N 441.738 6.121 30 10 IKEE Cc1ccsc1C=Nn1c(Cc2ccccc2)nnc1SCc1cccc(Cl)c1 2325494487 HPRLGFMHTPTRFZ-UHFFFAOYSA-N 439.009 6.067 30 10 IKEE CCCCCCCCC(=O)Oc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC 2325675290 NILOLINQUAXFCN-UHFFFAOYSA-N 439.508 6.156 30 10 IKEE CCOc1cccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c(OC)c3)c2)c1 2325703955 GAZKTRHJWVZDHK-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE Cc1cc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(Cl)cc3Cl)c2)ccc1F 2325709073 ULDQVUOWBQVFIE-UHFFFAOYSA-N 443.301 6.485 30 10 IKEE COc1cc(C(=O)C=Cc2cccc(OC(=O)c3cccs3)c2)c(OC)cc1Cl 2325759099 QATDMWFAZANKTN-UHFFFAOYSA-N 428.893 5.534 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccccc1F 2326091411 UIKPIUVPBLEDKM-UHFFFAOYSA-N 432.952 5.467 30 10 IKEE CCOc1cc(C=Nn2c(CC)nnc2SCc2ccccc2Cl)ccc1OC 2326546363 CHCVXSOABRTMJF-UHFFFAOYSA-N 430.961 5.076 30 10 IKEE CCCCC1CCC(c2nnc(SCCCO)n2N=Cc2cccc(OC)c2)CC1 2328192181 JKLGQFPSGWWQFL-UHFFFAOYSA-N 430.618 5.107 30 10 IKEE OCCCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1cccc2ccccc12 2329130590 ZYHVJXSEVZVCQQ-UHFFFAOYSA-N 436.968 5.032 30 10 IKEE CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(OCc2ccccc2)cc1 2329520504 WVMMXSBERNBZMW-UHFFFAOYSA-N 434.952 5.782 30 10 IKEE C=CCSc1nnc(Cc2ccccc2)n1N=Cc1ccc(OCCC)c(OCC)c1 2330498964 UWLBWMVBOXOQQG-UHFFFAOYSA-N 436.581 5.217 30 10 IKEE Cc1ccccc1CSc1nnc(-c2cccs2)n1N=Cc1ccc(F)cc1F 2330537745 TXNKGPFFBPJYAZ-UHFFFAOYSA-N 426.517 5.768 30 10 IKEE C=CCSc1nnc(CC(C)(C)C)n1N=Cc1ccc(OCc2ccc(C)cc2)cc1 2330855617 LJWWQZCGQJCYCA-UHFFFAOYSA-N 434.609 5.914 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)Cc1ccc(C)c(C)c1 2331076209 RYAOSTZUBYPNNW-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE Oc1ccccc1C=Nn1c(SCc2ccc(Cl)c(Cl)c2)nnc1C(F)(F)F 2331154969 FDFFCWNDYMSCCC-UHFFFAOYSA-N 447.269 5.484 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)Cc1ccc(F)cc1 2331326271 QXKQPOCDPHGCQN-UHFFFAOYSA-N 432.491 5.885 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccccc3Cl)nnc2C(C)(C)C)c1OC 2331397507 KFHGNLROQWVIKH-UHFFFAOYSA-N 444.988 5.421 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C(C)(C)C)cc1 2331397916 HLEQWJKCLHVROB-UHFFFAOYSA-N 443.016 6.192 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(C(F)(F)F)cc1 2331434761 WUXLIIWUHFHBQJ-UHFFFAOYSA-N 436.478 5.809 30 10 IKEE CCCOc1cccc(C=Nn2c(CC(C)C)nnc2SCc2cccc(Cl)c2)c1 2331470164 OOGFABLSOLXCIA-UHFFFAOYSA-N 443.016 6.093 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)COc1ccccc1 2331509818 NKMBUEQIXXKIMS-UHFFFAOYSA-N 430.500 5.699 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)COc1cccc(C)c1C 2331534534 WRHIYOWHTYQCCE-UHFFFAOYSA-N 448.490 5.722 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)c(F)c3)c(Cl)c2)cc1C 2331706256 TZCCXIATURNYDH-UHFFFAOYSA-N 426.846 6.350 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C3CC3)n2N=Cc2ccc(Cl)cc2)c1C 2331725111 RCKSHJCFOXLYHG-UHFFFAOYSA-N 439.972 5.039 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)C(F)(F)F)c(Cl)c1 2331755368 ILFRBKMRUDOQPJ-UHFFFAOYSA-N 433.209 5.674 30 10 IKEE Cc1cncc(C(=O)Oc2ccc(C=CC(=O)c3c(C)cc(C)cc3C)cc2[N+](=O)[O-])c1 2331770307 AITNOMMLGSCFHC-UHFFFAOYSA-N 430.460 5.339 30 10 IKEE CC(C)c1ccc(Cn2nnc(C#N)c2NC(=O)C=Cc2ccc(C(C)(C)C)cc2)cc1 2332148013 GHRWTEMZFCZXQO-UHFFFAOYSA-N 427.552 5.271 30 10 IKEE COC1(C#C[C@@H](N)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCCC1 2338298799 XBETYVLXKBASBV-AREMUKBSSA-N 441.571 5.807 30 10 IKEE CCC[C@H](CNC(=O)OC(C)(C)C)COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339597501 YBUQWYJLEMFSMW-LJQANCHMSA-N 446.397 5.046 30 10 IKEE CCOc1ccc2c(c1)O/C(=C\c1cccc(OCC)c1OC(=O)c1ccccc1)C2=O 8823741 VEHBQWGZWZRCDF-HAHDFKILSA-N 430.456 5.319 30 10 IKEE Cc1cc(C)c(NS(=O)(=O)c2ccc(/N=C/c3ccc([N+](=O)[O-])s3)cc2)c(C)c1 12583295 KNZSOWWNEFHBLE-CIAFOILYSA-N 429.523 5.133 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(F)cc2)cc1 21255311 GKJYKKBNEZBCQD-WINIVTDRSA-N 428.507 6.204 30 10 IKEE C=CCOc1ccc(/C=C(/C(=O)c2ccc(OC(C)C)cc2)c2nc3ccccc3o2)cc1 33740147 SWSWSWGJJBWXGI-MOHJPFBDSA-N 439.511 6.603 30 10 IKEE Cc1ccc(C(C)C)cc1CN1C(=O)[C@](O)(CC(=O)/C=C\c2ccco2)c2ccccc21 33919535 BQKIQGPTTKVGSV-OFQPSRFPSA-N 429.516 5.118 30 10 IKEE COc1ccc(OC)c(/C=C(/C(=O)c2ccc(OC(C)C)cc2)c2nc3ccccc3o2)c1 33925457 JPSDLUAOCROINT-JWGURIENSA-N 443.499 6.056 30 10 IKEE COc1ccc(/C=N/c2ccccc2[C@](O)(Cc2ccccc2)c2ccccc2)cc1OC 34798458 CECFDIOCJAXWLU-FKIVBMLTSA-N 437.539 5.933 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC)c2)[C@H]1c1ccc(C(C)(C)C)cc1 40101014 YOPCHQVZSQHFDR-HSZRJFAPSA-N 435.564 5.761 30 10 IKEE C=CCn1c(CNc2cccc3ccccc23)nnc1SCc1nc2ccccc2[nH]1 59265562 UUMQYQQBUKSQGU-UHFFFAOYSA-N 426.549 5.398 30 10 IKEE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 59522401 OXTHCMFUXVRIEM-IAGONARPSA-N 428.400 5.295 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2F)nnc1-c1cccc(Cl)c1 59794718 PDAUONGEAYOKHE-UHFFFAOYSA-N 437.327 5.308 30 10 IKEE Cn1c(=O)c(C(=O)/C=C\c2ccc3c(c2)OCO3)c(-c2ccccc2)c2ccc(Cl)cc21 96055673 HCDLWPXFBBMRHO-XFFZJAGNSA-N 443.886 5.484 30 10 IKEE CCCCCCCOc1ccc(NC(=O)CNc2ccc(OC[C@@H]3CCCO3)cc2)cc1 100078399 GPLNWLPSEMSSOU-VWLOTQADSA-N 440.584 5.644 30 10 IKEE CCCCCCCOc1ccc(NC(=S)NC(=O)CCc2ccccc2Cl)cc1 100283345 NDMXQUDKXHEFJW-UHFFFAOYSA-N 433.017 6.135 30 10 IKEE CCCCCOc1ccc([C@@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2c2cc(C)on2)cc1 102621428 MEOYOBMIGCKVMI-UGUGFTGJSA-N 446.503 5.178 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\n2c(SC)nnc2C(C)C)cc1OC 169915662 IHVUBCUIZICJLU-ULJHMMPZSA-N 432.634 6.144 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc(OC)c2)cc1 169931369 JEGOOALJSOSPFK-DEOSSOPVSA-N 427.500 5.349 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccc(O)cc2)c1 169960540 ACWCRVJXJNWGKI-QFIPXVFZSA-N 433.891 5.445 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1cccs1 169984513 INTRKJGGGOHVJD-NRFANRHFSA-N 448.931 5.974 30 10 IKEE CCCCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2ccccn2)cc1 169993669 LMEVIDRBNUKJRK-DEOSSOPVSA-N 442.515 5.216 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccccc2C)c1 170086388 JFYOGARFGSWUHS-SANMLTNESA-N 449.506 5.940 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2sccc2C)c1 170107660 RWJWYFWRDZLBJX-HXUWFJFHSA-N 427.566 5.067 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(OC)c(OCC)c1 170127686 PCLHESMOYCHYJX-DEOSSOPVSA-N 445.515 5.235 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@@H]1c1cccc(C)c1 170146685 YJTUOHKMCHGOFI-NRFANRHFSA-N 427.928 5.426 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2cccs2)c(OC)c1 170158351 IXJUDVMXOUEGEN-JOCHJYFZSA-N 449.528 5.165 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccn2)cc1C(C)C 170170521 NAYSMPGOLSJMTG-DEOSSOPVSA-N 442.515 5.305 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccncc2)cc1Cl 170203006 KQTNZODYTLNVFB-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1cccc(OCC)c1 170218126 NASSHOQSSNLBDJ-QHCPKHFHSA-N 435.564 5.680 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccc2)cc1C(C)C 170222735 YAGWNZOOBDKPNN-DEOSSOPVSA-N 445.490 5.741 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccccc1)c1cc2ccccc2o1 170226825 WMSHWNJCTOKTRO-QFIPXVFZSA-N 429.859 5.869 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccc(F)cc2)cc1C 170240315 BSLQXGIZQMBAHV-XMMPIXPASA-N 445.490 5.624 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@H]1c1c[nH]c2ccccc12 170256249 IUDCAEWWNIUSDE-XMMPIXPASA-N 446.547 5.562 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(C4CCCC4)[C@@H]3c3ccccc3C)oc12 170278552 PXTFAEFCIXVGKQ-JOCHJYFZSA-N 431.488 5.271 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccco1)c1cccc2ccccc12 170286944 GEIARSZJHSNQQP-JOCHJYFZSA-N 429.859 5.869 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(C)o1 170297994 NWZSGWBTTXFJAX-FQEVSTJZSA-N 437.517 5.053 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(F)c(F)c2)cc1 170452455 VNVHTAPMMCYBRN-NRFANRHFSA-N 442.506 5.326 30 10 IKEE COc1ccc(N2C(=O)C(=O)/C(=C(O)\C=C\c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 229095622 VHZOHYRWKVKIDZ-YQFPIPPPSA-N 445.902 5.531 30 10 IKEE CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](C(C#N)C#N)CC[C@]4(C)[C@@H]3CC[C@@]12C 253609151 CCXNGZZZEMMYFL-NBFVNHSWSA-N 436.728 8.387 30 10 IKEE CCCCCCc1ccc(C(=O)Oc2ccc(C=Nc3ccc(C(C)(C)C)cc3)cc2)cc1 254403648 OUYWDNKAPMQUET-UHFFFAOYSA-N 441.615 8.077 30 10 IKEE COc1cc(C=NOCc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Cl)cc1 254557516 DIAGWJXLLSOZGT-UHFFFAOYSA-N 449.856 6.497 30 10 IKEE Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)ON=Cc1c(C)c(C)c(C)c(C)c1C 254569044 IFTKYQNTWKNXJW-UHFFFAOYSA-N 445.346 6.690 30 10 IKEE C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN(Cc4ccccc4)Cc4ccccc4)[C@@H]3C[C@@H]12 504379750 HSBSDJNJPQPKOI-WNNHWGDASA-N 429.604 6.003 30 10 IKEE biogenic Cc1cccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccc(C#N)cc2)c1 526823502 WCNVQJNHSXQAMW-VEILYXNESA-N 437.572 5.418 30 10 IKEE C=CCNC(=O)Nc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 586607681 GFIQYQDDHPIVAC-UHFFFAOYSA-N 431.336 5.284 30 10 IKEE 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 698416304 DEFTUKXYIQQIDL-RTYRMLGFSA-N 445.604 5.094 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1ccsc1Cl 698449942 AOXXKTVUMZRTRL-AWEZNQCLSA-N 427.751 6.170 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)C1 724028729 NLNPUYIDEKOUGL-QMHKHESXSA-N 449.979 5.811 30 10 IKEE CCCCN(CCCC)CN1C(=O)C(=Nc2ccc(-c3ccccc3)cc2)c2ccccc21 1083951512 VXIIZMBHIDRLLA-UHFFFAOYSA-N 439.603 6.681 30 10 IKEE CCN1C(=O)C[C@H](C(=O)Nc2ccccc2Cl)SC1=Nc1ccc(C)c(Cl)c1 1084291169 DVNGBTVDDZPYRI-QGZVFWFLSA-N 436.364 5.282 30 10 IKEE C=C1SC(=Nc2ccccc2Cl)N(S(=O)(=O)c2ccc(C)cc2)C12CCCCC2 1088704588 MNOVYKAEKQAPLY-UHFFFAOYSA-N 447.025 6.290 30 10 IKEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N(CC(C)C)C(C)C 1286338797 FFVXPBGLGGZDGJ-UHFFFAOYSA-N 433.394 5.000 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(OCCCC)c(OC)c2)S/C1=N/c1cccc(O)c1 1614236975 FWYYQEXNLZYQAS-UQRBVYKBSA-N 438.549 5.370 30 10 IKEE C=C(C)[C@@H]1CC[C@@H]2[C@]3(C)CC[C@H]([C@H](C)CCC=C(C)C)[C@]3(C)CC[C@@]23C[C@]13CCC(=O)O 1615811194 KNVUFXYCGYEIRS-WKOWXSQSSA-N 440.712 8.429 30 10 IKEE biogenic COc1ccc(/C=C2/SC(=Nc3nccs3)N(C3CCCCC3)C2=O)cc1OC 1772732919 FJRGROSOQGYTTG-RVNILFKFSA-N 429.567 5.097 30 10 IKEE Cc1csc(N=C2S/C(=C\c3c(F)cccc3Cl)C(=O)N2C2CCCCC2)n1 1772736004 HZMCVYGBRRXAMC-UTQUROFUSA-N 435.977 6.181 30 10 IKEE O=C1NC(=NN=Cc2ccc(-c3ccccc3Cl)o2)S[C@H]1Cc1cccc(Cl)c1 1772742535 WPFVCIYPURJOEZ-IBGZPJMESA-N 444.343 5.418 30 10 IKEE Cc1cc(NC(=O)Nc2ncccc2OCc2ccc(C#N)cc2)ccc1Br 1858865264 AQIUFACOKICFRV-UHFFFAOYSA-N 437.297 5.247 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCC)NC(=O)COc1cc(C)c(Cl)c(C)c1 1861637602 VIUXAZKBENDRIF-HXUWFJFHSA-N 425.013 5.097 30 10 IKEE CCCCCCCCNC(=O)[C@](C)(CC)NC(=O)COc1ccc(Cl)cc1Cl 1861680320 LHZJJIQNNFWDAI-NRFANRHFSA-N 431.404 5.134 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2cccc(F)c2)cc1C 1862401951 NPWTYHJWCVRWKT-XMMPIXPASA-N 449.522 5.612 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@@H](C)c2ccccc2)c1 1862413695 IXSVTAAJPQTVLC-WNSKOXEYSA-N 449.453 5.313 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(C(F)(F)F)cc1 1862417026 VASCCWZBXUGEFA-GOSISDBHSA-N 439.380 5.218 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccc(C)cc2)cc1 1862431972 SRTXABLTGRZZOX-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccco2)cc1 1862450071 ZALSAHFOJLFRCB-QFIPXVFZSA-N 449.934 6.009 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccccc1Cl)c1c(F)cc(F)cc1F 1862464362 VHFQHIKHMNBWNX-IBGZPJMESA-N 447.796 5.129 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@H]2c2ccccc2)ccc1F 1862500415 FDASTYKXICYKTB-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C2CCCCCC2)c1 1862544285 ZPCQLUVYSNBPIO-SANMLTNESA-N 443.587 6.175 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862592532 FKEUMSDXSSIEKC-DEOSSOPVSA-N 441.527 5.468 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1cccc(Cl)c1 1862618765 XXEYILHOWGVAHW-OAQYLSRUSA-N 425.956 6.016 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccccc2F)cc1 1862662077 HAIKQFLSNLKCPZ-YJGRUCBDSA-N 435.539 6.106 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2c(F)cccc2Cl)cc1 1862666562 GTJWLRVLWAFYBB-JOCHJYFZSA-N 441.930 6.123 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C(C)C)cc1 1862670549 WMYWNMPXZSROHC-XMMPIXPASA-N 435.564 5.976 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2ccc(C)cc2)cc1 1862687247 IHBJUBJTZSXJLV-XMMPIXPASA-N 427.500 5.091 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2cccc(O)c2)c1 1862698928 OJSJMOLFMNFVRI-HSZRJFAPSA-N 435.520 5.092 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(CC)cc1 1862703705 XTBAFWFDNUIQAD-WIOPSUGQSA-N 449.591 6.195 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccc(OC)c1 1862724598 PTLYIQKGWTZBCA-AVRWGWEMSA-N 441.527 5.739 30 10 IKEE Cc1cc(NC2=C(c3cccs3)C(=O)N(c3ccccc3C#N)C2=O)ccc1C(C)C 1863119811 HTNDXMDGPHVSIV-UHFFFAOYSA-N 427.529 5.448 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)cc2Cl)=C(c2ccccc2F)C1=O 1863304073 RMVDJZJWBQMEHA-UHFFFAOYSA-N 446.925 6.171 30 10 IKEE CCC[C@H](NC(=O)c1cccc(Oc2ccccc2)c1)C(=O)N[C@@H](C#N)c1ccc(C)cc1 1867701280 UAYVDOSIKLCZMW-DQEYMECFSA-N 441.531 5.067 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](c1ccc(C(C)C)cc1)C(C)C 1868854492 ZEYCNWQDICKNGB-RRPNLBNLSA-N 446.635 5.478 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(OC)c(F)c2)c(=O)cc1CSCC 1870242793 NCPVLJDLWPZQQF-UHFFFAOYSA-N 435.605 6.189 30 10 IKEE CCCCCCCCCCn1cc(OCC)c(=O)cc1CN(CCO)Cc1ccccc1 1870366835 LAYNKZVRWCSAMH-UHFFFAOYSA-N 442.644 5.382 30 10 IKEE CCCCCCCOc1cn(CCC2=CCCCC2)c(CN2CCCCCC2)cc1=O 1870416771 OANBUYGMOMVDRK-UHFFFAOYSA-N 428.661 6.464 30 10 IKEE C=CCOc1cn(CCCCCCCCCC)c(CNc2ccc(Cl)c(C)c2)cc1=O 1870812838 LIZOQNKDXBVWPL-UHFFFAOYSA-N 445.047 7.128 30 10 IKEE CCCCCCCOc1cn(CCCCCCO)c(CNc2ccc(C)cc2)cc1=O 1870838922 AMQQIQAUOBODSB-UHFFFAOYSA-N 428.617 5.671 30 10 IKEE CCCCCCCCCCn1cc(OCCC)c(=O)cc1CNc1ccc(OC)cc1C 1871106160 LHLGPZRVIMTXGT-UHFFFAOYSA-N 442.644 6.707 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O 1871369312 FGOPXEGXRVYOAL-IWIPYMOSSA-N 448.902 6.029 30 10 IKEE COc1ccc2c(c1)c(/C=C1\Oc3cc(OCCCc4ccccc4)ccc3C1=O)cn2C 1871399313 JAHBSQDVHCYXQB-DICXZTSXSA-N 439.511 5.815 30 10 IKEE Cc1c(O[C@@H](C)C(=O)Nc2ccc(F)cc2)ccc2c1O/C(=C\c1ccccc1F)C2=O 1871400383 AHLXUHSPRYYHEL-PXNCGERRSA-N 435.426 5.295 30 10 IKEE CCc1cccc(CC)c1NC(=O)[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccco1)C2=O 1871409160 YQAVIKDAYPSVJL-XYLCRUHJSA-N 445.515 5.735 30 10 IKEE Cc1c(OCCOc2cccc3ccccc23)ccc2c1O/C(=C\C=C\c1ccccc1)C2=O 1871415513 GFAYEPFJVOGYNI-PSKUVDHISA-N 448.518 6.778 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OCC(=O)Nc3nc4ccccc4s3)ccc2C1=O 1871442312 KGUALJPAJNFFFR-WQRHYEAKSA-N 448.525 5.300 30 10 IKEE Cc1cc(C)c(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccc(F)cc2)C3=O)c(C)c1 1871458191 DZCXVPYYKIESSB-QRVIBDJDSA-N 445.490 5.693 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(OC(C)C)cc2)[nH]c(N2CCCCC2)n1 1871722754 UNBMQTYBPFMVCG-UHFFFAOYSA-N 440.636 5.587 30 10 IKEE C=C(C)CN([C@@H](CC)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1cc(C)ccc1C 1872460512 JIFSPIIIAFVCFK-NRFANRHFSA-N 449.016 5.249 30 10 IKEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872532344 IWAKUBLTQLLPHN-QHCPKHFHSA-N 442.625 5.213 30 10 IKEE COc1cc(OC)c(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(C)cc3)n2)cc1Cl 1872782867 OTEVTQLPUGYWTI-KBOKABMXSA-N 438.936 5.679 30 10 IKEE CCCCCCCCCCNC1=C(c2c(Cl)cccc2Cl)C(=O)N(CC)C1=O 1873094178 OHCSUFZAPQXNHN-UHFFFAOYSA-N 425.400 5.824 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(OC)c2)=C(c2cccc(OC)c2)C1=O 1873218537 SFRDSZWTYQXRQZ-UHFFFAOYSA-N 436.552 5.256 30 10 IKEE C=CCN1C(=O)C(Nc2cc(C)ccc2OCC(C)C)=C(c2c(C)cc(C)cc2C)C1=O 1873330129 BNNVEQJRXBCUAV-UHFFFAOYSA-N 432.564 5.333 30 10 IKEE Cc1ccccc1COc1ccc(/C=N/Nc2oc([C@@H]3C[C@@H]3c3ccccc3)nc2C#N)cc1 1873470262 DMJQITRMLOZLON-NGRIDEQRSA-N 448.526 6.151 30 10 IKEE C=CCOc1ccccc1OCc1nc2ccccc2n1CC(=O)Nc1cccc(C)c1 1873518204 RRWLGTABFKEMMZ-UHFFFAOYSA-N 427.504 5.127 30 10 IKEE C=CCn1c(C(=O)N2CCCCC2)cc2c(N(CCCC)CCCCCC)ncnc21 1873562395 AXQZRMAJEQFHLI-UHFFFAOYSA-N 425.621 5.430 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(C)cc1)n2CCOC 1873621217 LDIBYWHUNBEIDE-UHFFFAOYSA-N 437.588 5.411 30 10 IKEE CCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1/N=C/c1cccc(F)c1 1874194693 CHOKRBPTVHXANX-YZSQISJMSA-N 440.588 5.721 30 10 IKEE CCCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1/N=C/c1cccn1C 1874195877 JVRRNDOPZDDVPH-XIEYBQDHSA-N 439.629 5.310 30 10 IKEE C=C(C)CSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1cccc(OC)c1O 1874269746 MLAZDTAWWQVQAQ-CVKSISIWSA-N 444.560 5.287 30 10 IKEE Cc1cccc(CSc2nnc(Cc3cccc4ccccc34)n2/N=C/c2ccncc2)c1 1874270870 SMXNXTNYIBDFBW-RDRPBHBLSA-N 449.583 5.900 30 10 IKEE Fc1cccc(CSc2nnc(Cc3ccc(Cl)cc3)n2/N=C/c2ccc[nH]2)c1 1874336384 KQPIUANBHOWUDA-DHRITJCHSA-N 425.920 5.164 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3C)n2/N=C/c2cccn2C)c1 1874361195 NPBRSPSVYHDUPD-YZSQISJMSA-N 429.593 5.193 30 10 IKEE Clc1ccccc1CSc1nnc(CCc2cccs2)n1/N=C/c1ccco1 1874371433 YXFFTEBPPNCNML-LPYMAVHISA-N 428.970 5.546 30 10 IKEE C=CCSc1nnc(CC2CCCCC2)n1/N=C/c1ccc(OCCC)c(OCC)c1 1874409316 QHRRWFPRYGNMGP-XIEYBQDHSA-N 442.629 5.749 30 10 IKEE COc1ccccc1/C=N/n1c(Cc2ccccc2)nnc1SCc1ccc(F)cc1 1874416178 CPBGXMLBZXDBOS-WGOQTCKBSA-N 432.524 5.191 30 10 IKEE Fc1cccc(Cl)c1/C=N/n1c(SCCc2ccccc2)nnc1-c1cccs1 1874422959 NGNXESHOPVDGCD-ZVHZXABRSA-N 442.972 6.016 30 10 IKEE COc1ccc(OC)c(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccc(F)cc2)c1 1874437241 REAFTMKZLAPUEE-AFUMVMLFSA-N 442.560 5.198 30 10 IKEE Clc1ccc(/C=N/n2c(SCc3ccccc3)nnc2C2CCCC2)c(Cl)c1 1874454534 IVLCVXQUXYXWOD-ZMOGYAJESA-N 431.392 6.417 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2-c2ccco2)cc1O 1874467039 OZPGSGJPOIQUBE-ZMOGYAJESA-N 434.521 5.044 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc(C(C)C)cc1 1874478542 FVCJOWRUWPTXOA-MFKUBSTISA-N 427.017 6.572 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(C(C)(C)C)n2/N=C/c2cccc(Cl)c2)o1 1874481586 DGRDQMJCKJVLDX-FSJBWODESA-N 446.960 5.173 30 10 IKEE CC(C)(C)c1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1cccc([N+](=O)[O-])c1 1874486734 IIWIOJDHLXUQNC-FOKLQQMPSA-N 447.923 5.451 30 10 IKEE Cc1ccccc1CSc1nnc(C(C)C)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874510573 VBFYNGQOPMOHMW-SSDVNMTOSA-N 429.933 5.446 30 10 IKEE CCCOC(=O)COc1ccc(Br)cc1/C=C/C(=O)c1cc(C)ccc1C 1874580180 AZEOGIJZMBIZMX-VQHVLOKHSA-N 431.326 5.294 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(C)ccc2C)c1OCc1ccc(Cl)c(Cl)c1 1874580388 LEIVELHWMYNJMT-ZRDIBKRKSA-N 441.354 7.094 30 10 IKEE C=CCOc1ccc(Br)cc1/C=C/C(=O)c1cc(C(C)(C)C)ccc1OC 1874584195 BLGAGNYQKXQEEC-JXMROGBWSA-N 429.354 6.216 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccccc2Cl)c(C)c1 1874589856 GPZCGROECAPXJU-CSKARUKUSA-N 425.355 7.394 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCc3nc(O)c4ccccc4n3)c2)cc1Cl 1874600189 YPCRMJNQBJNIIH-PKNBQFBNSA-N 446.890 5.473 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1OCc1cc(C)ccc1C 1874601151 WTLCLQJUVFJAOF-UXBLZVDNSA-N 441.354 7.094 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Cl)c1OCc1cccc(C)c1 1874608418 NJYGQLFARJKHAI-VAWYXSNFSA-N 441.354 7.176 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OCC(=O)Nc1ccc(F)cc1 1874608535 SUGYHXUUFAOGFJ-WUXMJOGZSA-N 439.870 5.401 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)cc2)c(C)c1C 1874628216 ROZWFBMKTOSLJS-XYOKQWHBSA-N 443.543 5.842 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3c(Cl)cccc3Cl)cc2)c(OC)c1 1874633291 VIPAJZIDRPTUCW-MDWZMJQESA-N 443.326 6.486 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc(F)c(F)c3F)c2)c1C 1874710974 OBOJGHVJFNBAPV-DHZHZOJOSA-N 438.445 6.453 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2cccc(OC)c2)CSc2nnc(CCCC)n21 1874899501 RVMMCWUTOIFSKJ-NRFANRHFSA-N 444.645 5.692 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3ccccc3C)c(OC)c2)c1 1875102220 BDMPUNAGKXDEIS-OUKQBFOZSA-N 432.472 5.136 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3Cl)c(OC)c2)cc1 1875107820 KYLNNLSPDZWYPR-FOWTUZBSSA-N 448.946 6.807 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)c2ccccc2)c(Br)c1 1875118849 RMWVDNSHXHEZFN-ACCUITESSA-N 437.289 5.573 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3F)cc2)cc1 1875120460 VCVOVNJNJWVSJR-OVCLIPMQSA-N 436.454 5.798 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc([N+](=O)[O-])c1OC(=O)CC(C)C 1875124876 GXPSGAULUGDSCT-VMPITWQZSA-N 433.407 5.119 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)COc1ccccc1 1875131749 MAQGVKFMWPKRPA-ACCUITESSA-N 446.499 5.201 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)c1cccs1 1875139829 CCEDVXODAWRQMQ-VAWYXSNFSA-N 432.541 6.217 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1ccccc1C 1875170133 JALIIXRZILJMRW-WYMLVPIESA-N 442.555 6.743 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(-c4ccsc4)cc3)ccc21 1891415328 CNQVLKDFPTYCOY-UHFFFAOYSA-N 432.545 5.605 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F 1922121557 YJAQOBCRSBITKV-SFTDATJTSA-N 438.559 5.020 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@H](CNC(=O)OC(C)(C)C)C1CCCCC1 1922127398 ZJVOJZBJZAWJCP-BJKOFHAPSA-N 430.633 5.459 30 10 IKEE CC1(C)CN(C(=O)OC(C)(C)C)C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 1922770007 UANRCSVHSLYISU-XMMPIXPASA-N 447.551 5.497 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1C[C@H]2C[C@H]1CN(C(=O)OC(C)(C)C)C2 1998007727 UQBCSCUNDAEKMW-NAVOZUGXSA-N 428.617 5.021 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C1(C)C 2013406535 KEXVWINKHFONTL-UZUQRXQVSA-N 433.524 5.153 30 10 IKEE CC(C)[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)CN1Cc1ccccc1 2029763791 NNUUOOMSDVBAKO-JYFHCDHNSA-N 437.559 5.760 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@H](CNC(=O)OC(C)(C)C)CC(C)C)cc1 2033647190 AHGBSBBDWUXKEA-FPOVZHCZSA-N 445.604 5.816 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(C(=O)OC(C)(C)C)C(C)(C)C2)c1 2037765578 GEAHDXQNVUOROD-XMMPIXPASA-N 445.560 5.118 30 10 IKEE C=CCN(CC[C@H](Cc1cc(Br)ccc1Cl)NC)C(=O)OC(C)(C)C 2047973056 JLBGZHTZRHUILG-MRXNPFEDSA-N 431.802 5.046 30 10 IKEE C=C(CC)C[C@@H](NC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071352941 COCQIYVSMUMQQI-NAKRPHOHSA-N 431.576 5.822 30 10 IKEE CC(C)c1nn([C@H](c2ccc(C3CC3)cc2)C2CC2)c(I)c1/C=N/O 2079022590 IPQYDQBJYGNPTH-AZHVYHFMSA-N 449.336 5.296 30 10 IKEE CCCc1ccc([C@@H](C(C)C)n2nc(C3(C)CC3)c(C#N)c2I)cc1 2079881135 SESGQUPOHXGLFX-GOSISDBHSA-N 447.364 5.609 30 10 IKEE CCCOc1ccc([C@H](CC)n2nc(C3CC3)c(C#N)c2I)cc1 2080063041 XGGDBDFYVLYXQP-KRWDZBQOSA-N 435.309 5.025 30 10 IKEE CC(=O)Oc1ccc([C@H](C2CCC2)n2nc(C3CCC3)c(C#N)c2Br)cc1 2080073896 XQRSINMVAWCHRF-FQEVSTJZSA-N 428.330 5.100 30 10 IKEE C=CCN(CC[C@H](NCC)c1cccc(Br)c1Cl)C(=O)OC(C)(C)C 2081411167 GYUZYIXSQHGYPI-INIZCTEOSA-N 431.802 5.566 30 10 IKEE CN(Cc1ccc(Nc2cc(Br)cc(F)c2C#N)cc1)C(=O)OC(C)(C)C 2163708900 QRDSKLFGLYEWQG-UHFFFAOYSA-N 434.309 5.570 30 10 IKEE CCC[C@]1(CNc2cc(Br)cc(F)c2C#N)CCCN1C(=O)OC(C)(C)C 2163709712 XMTUKUCSAURHPA-HXUWFJFHSA-N 440.357 5.442 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2c(F)cc(C)cc2Br)c1 2173405373 PSPXECQTXMWQRB-GOSISDBHSA-N 433.321 6.211 30 10 IKEE CCCCCCCC(=O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229111439 IXSZWXZFUWFBBR-GOSISDBHSA-N 426.395 5.815 30 10 IKEE C#CCCC[C@@H](NCCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237422599 YCTFJXZIPZSFGE-WOJBJXKFSA-N 437.422 5.057 30 10 IKEE CCCN[C@H](CC=CC#CC(C)(C)C)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 2248481986 SKOPKTJIXQALEP-XMMPIXPASA-N 426.645 6.178 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)[C@@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2249564903 XIHYKEVXVKVXHA-MRSFGVLCSA-N 433.593 5.095 30 10 IKEE C=CCCC1([C@@H](N)Cc2ccc(Br)cc2Cl)CN(C(=O)OC(C)(C)C)C1 2266299635 CILHNDUQIXTBJB-KRWDZBQOSA-N 443.813 5.176 30 10 IKEE C[C@@H](N(Cc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F)C(C)(C)C 2267410462 JXESWTSOYCDSRC-GOSISDBHSA-N 439.380 5.202 30 10 IKEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N(Cc1ccccc1)Cc1cccs1 2267596339 NCDGHZRLABJVGA-UHFFFAOYSA-N 447.409 5.198 30 10 IKEE C=CC[C@]1(COc2cc(Cl)c(Br)cc2N)CCCN1C(=O)OC(C)(C)C 2272241592 CGJXKEYJHUWWAO-LJQANCHMSA-N 445.785 5.409 30 10 IKEE C=C(C)CC[C@H](NCCC)[C@@](C)(O)c1cc(Br)c(Br)s1 2281226843 UIMYSFIWWYDGPM-SWLSCSKDSA-N 425.230 5.205 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)CCC[C@@H](CC)NC(=O)OC(C)(C)C 2296293205 GZKKQPMQVPKGDU-UXHICEINSA-N 437.422 5.252 30 10 IKEE CCCCCCCCCCOc1ccc(C2=NC(=Cc3ccccc3OC)C(=O)O2)cc1 2297182781 WHGFKJJUGKEUNJ-UHFFFAOYSA-N 435.564 6.559 30 10 IKEE C=CCN1C(=O)C(=C2Sc3ccc(Cl)cc3N2C)SC1=Nc1ccccc1C 2297550043 IZVYDDJPBQSGBS-UHFFFAOYSA-N 427.982 5.809 30 10 IKEE CCN1C(=O)C(=C2Sc3ccc(OC)cc3N2C)SC1=Nc1ccc2ncccc2c1 2297707794 MFWFXSZMAIHTTE-UHFFFAOYSA-N 448.573 5.237 30 10 IKEE C=CCC(CC=C)[C@@H](N)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2301035824 AIUIZUUWRRHFHV-QHCPKHFHSA-N 427.633 5.032 30 10 IKEE COc1ccc(OC)c(C=C2SC(=Nc3nc(C)cs3)N(c3ccccc3)C2=O)c1 2314544197 WDNSBQIVGCENSG-UHFFFAOYSA-N 437.546 5.277 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@H](C#N)[C@]1(C)CCCCN1C(=O)OC(C)(C)C 2318947598 WGFZBTOPMJPPMX-DVECYGJZSA-N 447.551 5.639 30 10 IKEE CCCOc1c(OC)cc(C=NNc2oc([C@H]3C[C@@H]3c3ccccc3)nc2C#N)cc1OC 2320837478 ZNCQJXOFDULTPA-MOPGFXCFSA-N 446.507 5.069 30 10 IKEE CCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1cn(C)c2ccc(OC)cc12)C3=O 2322042403 FVSYDQHZPGNFGT-UHFFFAOYSA-N 432.520 5.064 30 10 IKEE Cc1cc(OC(=O)COc2ccccc2)cc2c1C(=O)C(=Cc1cn(C)c3ccccc13)O2 2322948632 POEUPZNKPVAEPF-UHFFFAOYSA-N 439.467 5.087 30 10 IKEE COc1cc(C=NNc2ccc(F)cc2)ccc1OCc1ccc(Br)cc1 2322953278 BUVBUGCQWXZJKX-UHFFFAOYSA-N 429.289 5.622 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2323201555 KACRELRUHCWTHT-UHFFFAOYSA-N 434.875 5.557 30 10 IKEE CCCOC(=O)COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OC 2323228944 WYSDOBANCCBGIW-UHFFFAOYSA-N 440.536 5.229 30 10 IKEE COc1ccc(OC)c(C=C2Oc3c(ccc(OC(=O)CC4CCCCC4)c3C)C2=O)c1 2323485847 VQOHHBCMYYBRLV-UHFFFAOYSA-N 436.504 5.504 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 2323640927 CLMRWGQGDHMCLN-UHFFFAOYSA-N 447.487 5.786 30 10 IKEE CC(C)(Oc1ccc(Cl)cc1)C(=O)Oc1ccc2c(c1)OC(=Cc1ccccn1)C2=O 2323710445 PRVJFUYRWIITAB-UHFFFAOYSA-N 435.863 5.114 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCc3cccc(C)c3)c([N+](=O)[O-])c2)cc1 2323933625 WUOWYUXQAPFQAX-UHFFFAOYSA-N 431.488 6.167 30 10 IKEE COc1cc(OC)c(OC)cc1C=C1Oc2cc(OCCc3ccccc3)cc(C)c2C1=O 2324283515 CNWUUJUNRJVUDQ-UHFFFAOYSA-N 446.499 5.259 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OCc1ccc(C)cc1 2324356242 TXBUBCJXQOEPSU-UHFFFAOYSA-N 428.572 7.103 30 10 IKEE CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccc(C)o2)C3=O)cc1 2325437742 KXMIFAPBDZDIKM-QGZVFWFLSA-N 445.471 5.121 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cccc4ccccc34)c2)cc1 2325704547 YBZNULUZWBHKES-UHFFFAOYSA-N 436.507 6.526 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC(=O)[C@@H](C)Oc3ccc(Cl)cc3)c2)cc1 2325705634 CRFIERADONJSHV-GOSISDBHSA-N 434.919 6.171 30 10 IKEE Cc1cc(Cl)ccc1NC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O 2325716110 KPMZSAWECLKQNK-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE CCOc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(OCC)cc3)c2)cc1 2325734553 XVFOVZNGMNNKHM-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE CCc1ccccc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccccc1Cl)C2=O 2325737400 LWCSBTBOODSSHF-UHFFFAOYSA-N 447.918 5.845 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2OC)cc1OC(=O)Cc1ccc(F)cc1 2325742237 HFADSFRJBUOENB-UHFFFAOYSA-N 434.463 5.196 30 10 IKEE COc1cccc(CCC(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c(F)c3)c2)c1 2325748702 HDPANFGYQOHZRA-UHFFFAOYSA-N 434.463 5.277 30 10 IKEE C=CCSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1cccc(F)c1 2325883905 OITKSPQPUGFBBJ-UHFFFAOYSA-N 446.551 5.742 30 10 IKEE Cc1ccc(CSc2nncn2N=Cc2ccc(OC(C)C)c(Br)c2)cc1 2326287317 RKDWFFPWYXWLDP-UHFFFAOYSA-N 445.386 5.311 30 10 IKEE COc1c(Cl)cc(C=Nn2c(C)nnc2SCc2cc(C)ccc2C)cc1Cl 2326589524 BOOCUZFKTHYFLV-UHFFFAOYSA-N 435.380 5.693 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc3ccccc23)n1N=Cc1cccc(F)c1 2326592336 SRUQVJQDDUORTB-UHFFFAOYSA-N 430.552 5.906 30 10 IKEE CSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1c(Cl)cccc1Cl 2327238947 ROSUPGHSQUEURT-UHFFFAOYSA-N 435.380 5.693 30 10 IKEE CCCSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1ccc(Cl)cc1Cl 2328965117 QYGLLDKYAIAQRS-UHFFFAOYSA-N 447.435 6.371 30 10 IKEE Cc1cccc(C=Nn2c(COc3ccccc3)nnc2SCc2ccccc2Cl)c1 2329919474 CVADNPWNPDIWPB-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1cccs1 2330089478 JSZSWXXBHUGEFK-INIZCTEOSA-N 449.561 5.574 30 10 IKEE Cc1ccsc1C=Nn1c(CCc2ccccc2)nnc1SCCc1ccccc1 2330197112 ULCWGRMQWKXLIJ-UHFFFAOYSA-N 432.618 5.650 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@@H]2CCCO2)c([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 2330602061 IQMPZPWEHZRKAC-VWLOTQADSA-N 443.455 5.242 30 10 IKEE Fc1ccccc1CSc1nnc(C2CCCC2)n1N=Cc1ccc2c(c1)OCCO2 2331071894 XXZORHMNVYLKFM-UHFFFAOYSA-N 438.528 5.021 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3F)c([N+](=O)[O-])c2)cc1 2331201146 SLFXSWGYOLEMRW-UHFFFAOYSA-N 435.407 5.248 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1cc(Cl)ccc1O 2331337888 IHQHBEPUHCFKOI-UHFFFAOYSA-N 428.989 5.771 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccccc1OC(C)C 2331349050 MIFVEJYSIODPTA-UHFFFAOYSA-N 443.016 6.236 30 10 IKEE COc1cccc(C=Nn2c(CC(C)C)nnc2SCc2cccc(Cl)c2)c1OC 2331469853 CUBJTIFSTPPCGL-UHFFFAOYSA-N 444.988 5.322 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)COCc1ccccc1 2331535380 UCHJUBLIGNULQY-UHFFFAOYSA-N 434.463 5.243 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2cncc(C)c2)c(Cl)c1 2331664021 QRUMNZPRWJCXDN-UHFFFAOYSA-N 435.907 5.784 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)c(OC)cc2OC)ccc1OC(=O)C(C)C 2331701481 FZRNJSDQJOYIKT-UHFFFAOYSA-N 432.900 5.213 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2ccc(OC(=O)c3cncc(C)c3)cc2)cc1Cl 2331809762 WXEIHDQKRCXVQK-UHFFFAOYSA-N 442.298 5.821 30 10 IKEE NCC#Cc1ccc(CN(Cc2ccccc2)CC2CCCCC2)cc1Br 2377300662 OLGNSOLPSSQUQA-UHFFFAOYSA-N 425.414 5.342 30 10 IKEE C=C(C)[C@H]1CC[C@]2(CO)CC[C@@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12 2116722 FVWJYYTZTCVBKE-KMOSZDALSA-N 442.728 6.997 30 10 IKEE C=CCn1c(COc2cc(C)cc(C)c2)nnc1SCC(=O)Nc1ccc(C)c(C)c1 14126002 CAHGKMVEXFFVCB-UHFFFAOYSA-N 436.581 5.008 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(F)cc2)cc1 20881793 KSPGUQZKWQVSFD-NGOKVRLYSA-N 442.534 6.594 30 10 IKEE C=CCOc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccccc2Cl)cc1 20892386 BBCGQJBABSMVJK-OAQYLSRUSA-N 425.941 5.174 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2)cc1OC 21234599 NJEIRUGYKXUSIN-WTYVLRPYSA-N 440.543 6.073 30 10 IKEE COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccco2)cc(OC)c1OC 21251947 ZRFCFNPDCSTIHQ-ODCWNRFASA-N 446.503 5.285 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NCc1ccco1)[C@H]2c1ccco1 21722220 UVXGBJSEOUUXHN-QHCPKHFHSA-N 431.492 5.399 30 10 IKEE CCOC(=O)c1c(NC(=O)c2ccccc2C)sc2c1CC[C@@](C#N)(c1ccccc1)C2 23451818 OZCVHGHABQKEGM-AREMUKBSSA-N 444.556 5.436 30 10 IKEE CCOc1ccc2oc(C)c(C(=O)Oc3ccc4c(c3)O/C(=C\c3cccnc3)C4=O)c2c1 35550484 PSXSHATXFKPAEH-KSEXSDGBSA-N 441.439 5.370 30 10 IKEE Cc1csc(/N=C2/S/C(=C\c3c(F)cccc3Cl)C(=O)N2C2CCCCC2)n1 39865655 HZMCVYGBRRXAMC-YEKZGRKESA-N 435.977 6.181 30 10 IKEE C=CCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2[C@H]1c1ccc(OCCCC)c(OC)c1 39910790 GJVKKGQEOONAAG-HSZRJFAPSA-N 447.531 5.329 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@H]1c1ccc(C(C)(C)C)cc1 40085857 WISVTONMGRGAJK-XMMPIXPASA-N 449.591 6.070 30 10 IKEE O=C(Nc1ccccc1)[C@@H]1CC(=O)N(Cc2cccs2)/C(=N/c2ccc(F)cc2)S1 59108911 GFICGGACJTVXAI-NWIBBQCFSA-N 439.537 5.048 30 10 IKEE C=CCOc1ccccc1[C@@H]1CC(=O)Nc2c1sc(C(=O)O)c2-c1ccc(OC)cc1 64796719 HDEBSVYQEQZSFK-KRWDZBQOSA-N 435.501 5.161 30 10 IKEE CCCCCCC[C@](Cc1ccccc1)(Sc1ccccc1)n1nnc2ccccc21 100000772 PQBXYXHIQSPNCU-HHHXNRCGSA-N 429.633 7.480 30 10 IKEE CCCCCCCCCCCCCCCCNC(=S)NC(=O)c1cccc(OCC)c1 100166055 JHCCHZXLJOCGJP-UHFFFAOYSA-N 448.717 7.171 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1cccc(C(=O)N(C)C)c1 100444242 LFMLHSKBKAUOQQ-UHFFFAOYSA-N 433.662 5.903 30 10 IKEE CCCCCCCCCCCCn1c([C@@H](C)NC(=O)Cc2ccccc2)nc2ccccc21 102130999 PUHSAUQAMQQCRT-XMMPIXPASA-N 447.667 7.377 30 10 IKEE CCCCCCCCCCCC(=O)N(CC(=O)Nc1cc(C)on1)CC1CCCCC1 102999677 RAQOUSHRGVONMY-UHFFFAOYSA-N 433.637 6.251 30 10 IKEE CCCCCCCCc1nnc(NC(=O)Cn2c(-c3ccc(C)cc3)n[nH]c2=S)s1 104986827 IQMPWJBGKGUSGS-UHFFFAOYSA-N 444.630 5.309 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\Nc2nc(C)c(C(=O)OC)s2)cc1OC 169940218 OQEAMPUGQMKKEO-JLPGSUDCSA-N 447.601 5.822 30 10 IKEE CCCCCOc1ccc(/C=N\Nc2nc(-c3ccc(C)cc3C)cs2)cc1OCC 169941726 NMUIEBCLXGZPAM-QQXSKIMKSA-N 437.609 6.841 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@H]2c2cccs2)c1 169986262 VEHUOWOIRHTBOO-QHCPKHFHSA-N 441.508 5.693 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2C2CCCC2)cc1 170034101 JHARSXZEDRQJBR-XMMPIXPASA-N 449.547 5.313 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(O)c(Cl)c1)c1cc2ccccc2o1 170040815 PYRRLIXCACQCRI-JOCHJYFZSA-N 445.858 5.575 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)C)cc2)c(C)c1 170067006 CKOLNVATUPRPMG-DEOSSOPVSA-N 445.515 5.499 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccc(O)cc2)cc1C 170133575 QAXXKRNQYOKBNX-DEOSSOPVSA-N 443.499 5.191 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccc(C)c2)c1 170141963 VUYDLXKFNYKSAU-RUZDIDTESA-N 441.527 5.875 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1cccs1)c1ccc(Cl)c(Cl)c1 170155812 JLKDYRZAUJUBDR-GOSISDBHSA-N 448.302 5.977 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@H]1c1ccccc1 170225552 NYWNMXPIHWTUCC-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccccc2)c1 170227781 ZFGRLROCDRNGQJ-VWLOTQADSA-N 435.479 5.637 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(C(C)C)cc1 170245835 YSLOJCWXHSDVOM-SANMLTNESA-N 445.603 6.457 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccc(O)c2)ccc1Cl 170259115 HYMLEHLFMJMXJF-JOCHJYFZSA-N 449.890 5.227 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2C)cc1C(C)C 170278335 ZCUGENJWMOQXJQ-RUZDIDTESA-N 447.575 5.956 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1)c1ccco1 170377528 SPEZGUNBQVRGGS-SFHVURJKSA-N 431.341 5.220 30 10 IKEE C=C1/C(=C/C=C2/CCC[C@]3(C)C([C@H](C)C/C=C/C(O)(CC)CC)=CC[C@H]23)C[C@H](O)C[C@@H]1F 197667583 LRLWXBHFPGSUOX-RTCBKWDUSA-N 442.659 7.158 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(C)s1)N2 226661964 KUJOCSUTWKTUQY-MSYCTHLASA-N 426.607 5.246 30 10 IKEE C=CCn1c(SCC(=O)NCc2ccccc2Cl)nnc1-c1ccc2ccccc2c1 253565659 HZJWQIDXKHOVMV-UHFFFAOYSA-N 448.979 5.346 30 10 IKEE CCCCN1C(=O)/C(=C2/Sc3ccccc3N2CC)SC1=Nc1ccc(C)c(C)c1 254487211 UYKMZNFOAILKAG-SEYIQKDNSA-N 437.634 6.468 30 10 IKEE O=[N+]([O-])c1ccc(O)c(C=Nc2sc3c(c2-c2nc4ccccc4s2)CCCC3)c1 254738229 NMGKZXVLLWHTHJ-UHFFFAOYSA-N 435.530 6.268 30 10 IKEE O=[N+]([O-])c1cc2c(cc1C=Nc1ccc3nc(-c4ccc5ccccc5c4)oc3c1)OCO2 254881132 FJAYYOBNIXPJNY-UHFFFAOYSA-N 437.411 6.036 30 10 IKEE SC[C@@H]1CN(Cc2ccccc2)C[C@@H]1c1cc(Br)ccc1Br 394521625 QEFHXNRFGFVFMA-YOEHRIQHSA-N 441.232 5.357 30 10 IKEE CCCCOc1cccc([C@@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccccc2C#N)c1 526608330 IAUATXDIZYOMJX-AREMUKBSSA-N 438.527 6.103 30 10 IKEE Cc1ccccc1NC1=C(Sc2ccc(Cl)cc2)C(=O)N(c2ccccc2C#N)C1=O 526665952 JMMMROBYCAMCBM-UHFFFAOYSA-N 445.931 5.509 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1c(C)n(C)c2ccccc12 526817257 KHFMDYCZDJFKGY-ROTLSHHCSA-N 441.963 5.608 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1cccc(OCC(C)C)c1 526819014 LNUJDMVXTXXJRA-YSMPRRRNSA-N 436.625 6.057 30 10 IKEE CC(C)(C)c1ccc(NC(=O)N[C@H]2CCN[C@@H](C(=O)/C=C/c3ccc(Cl)cc3)C2)cc1 586092089 VDPFAESXDIXKHV-NXIYBYNZSA-N 439.987 5.162 30 10 IKEE N#Cc1ccc(Oc2nc(Br)c(Br)s2)c(C(F)(F)F)c1 686902506 DOUOJKULELHNFU-UHFFFAOYSA-N 428.027 5.351 30 10 IKEE CC(C)C[C@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Br)C1 698459224 VVNOCGZJJXRNOE-VGSWGCGISA-N 435.406 6.689 30 10 IKEE COc1ccc([C@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)c(Br)c1 698825202 NSAUBGMCJOGBIJ-KRWDZBQOSA-N 437.359 5.521 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1 698906010 WJBVEAKJRKRPGU-MHECFPHRSA-N 429.561 5.418 30 10 IKEE Cc1cccc(Cn2cc(/C=C3/SC(=Nc4ccc(F)cc4)NC3=O)c3ccccc32)c1 1084116754 MDBDFCYVTJLESS-ZVHZXABRSA-N 441.531 6.029 30 10 IKEE Clc1ccccc1CSc1n[nH]c(NN=Cc2cccc(Oc3ccccc3)c2)n1 1084195423 ZNHZMOAKQCIDKI-UHFFFAOYSA-N 435.940 5.989 30 10 IKEE C(=NNc1nc(SCCOc2ccccc2)n[nH]1)c1cccc(Oc2ccccc2)c1 1084338758 BMBRLSAJPAYYSK-UHFFFAOYSA-N 431.521 5.214 30 10 IKEE C=C1SC(=Nc2ccccc2Cl)N(C(=O)c2ccc(Cl)c(Cl)c2)C1(C)C 1088727006 DNOKQURDJFQARZ-UHFFFAOYSA-N 425.768 6.816 30 10 IKEE O=C(ONC=Nc1cc(Cl)c(-n2cccc2)cc1Cl)c1ccc(C(F)(F)F)cc1 1614015614 NTDOQGRBUHXOMN-UHFFFAOYSA-N 442.224 5.824 30 10 IKEE C=CCOc1ccccc1CNC(=O)c1c(Nc2ccc3c(c2)CCCC3)cc(C)nc1O 1617630447 USKXSUXASZGOQW-UHFFFAOYSA-N 443.547 5.213 30 10 IKEE C=CCN1C(=O)/C(=C\c2c[nH]nc2-c2ccccc2)SC1=Nc1ccc(OCC)cc1 1772724135 HTQGORZHYXPDFP-LLLXPECQSA-N 430.533 5.265 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=Nc1nc(C)cs1 1772736098 RTLYKFVWLUVXDR-SJXTUUAMSA-N 440.506 5.244 30 10 IKEE Cc1nnc(N=C2S/C(=C\c3cccc4ccccc34)C(=O)N2c2ccccc2)s1 1772736627 IRJNAGJHQYHJKM-KWKLDLJFSA-N 428.542 5.808 30 10 IKEE N#Cc1ccccc1NC(=O)Oc1cccc2c(NC(=O)CCC3CCCCC3)cccc12 1858775242 ULZDSPBCRHNALI-UHFFFAOYSA-N 441.531 6.621 30 10 IKEE C[C@H]1Cc2ccccc2N1C(=O)Oc1cccc2c(NC(=O)c3cccc(C#N)c3)cccc12 1858779970 ILKMSPIUGPJZRX-SFHVURJKSA-N 447.494 5.914 30 10 IKEE CCOc1cccc(C(=O)Oc2cccc3c(NC(=O)c4cccc(C#N)c4)cccc23)c1 1858929836 FFXJYJSYNSOFPM-UHFFFAOYSA-N 436.467 5.582 30 10 IKEE Cc1cc(C(=O)Nc2sc3c(c2C#N)CCCC3)c2cccc(Br)c2n1 1859648820 YZVWWMUBSDENAE-UHFFFAOYSA-N 426.339 5.370 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)s1 1861740676 PZRQYCBXXFBONF-FQEVSTJZSA-N 449.060 6.000 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2ccccc2C(=O)O)cc1 1862394227 DJMJZXGHPKESJT-KSFYIVLOSA-N 435.520 5.104 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2C(=O)O)cc1 1862395375 PYOPPAUGQHWMAG-QHCPKHFHSA-N 447.531 5.248 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cccc2ccccc12)c1cccc(Cl)c1 1862449291 ICCZBMTUDDXWHX-QHCPKHFHSA-N 431.919 6.014 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2cccc(F)c2)cc1 1862474665 RJKWVTKRSBHGKM-XMMPIXPASA-N 429.491 5.529 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc3cc[nH]c3c2)c1 1862490939 HWDMCNMIQXLTGL-VWLOTQADSA-N 436.511 5.563 30 10 IKEE COC(=O)c1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCCC2)cc1 1862494290 JYCBNAYZTQXRPC-HSZRJFAPSA-N 447.531 5.001 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(C)cc1 1862507629 QCCXFNVYXPVJAC-URXFXBBRSA-N 437.555 6.380 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCC(C)C)cc1 1862510843 JHHZZNKTLUBAFQ-HSZRJFAPSA-N 439.527 5.547 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(Cl)cc2)cc1 1862535630 HXHMSACJPRAVHJ-HSZRJFAPSA-N 437.967 6.204 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(Cl)cc1Cl 1862538662 JNLFIXIXEWYMEV-NRFANRHFSA-N 446.374 6.324 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc2cc[nH]c2c1 1862546545 ZTDXWZSXODLMOW-VWLOTQADSA-N 442.559 5.671 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(OCCCC)cc1 1862553879 PXZXLCMZAYVMGW-VWLOTQADSA-N 445.559 5.509 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2cccc(C)c2)cc1 1862555509 WXVKDGHVXVXZTM-IQGLISFBSA-N 440.543 5.479 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862648931 MXWQJNURJUYHJE-NFQMXDRXSA-N 447.534 6.488 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1c(F)cccc1Cl 1862653638 SZQFDUKPHYPVTD-PEBXRYMYSA-N 437.898 6.009 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2cccc(OC)c2)cc1 1862686771 BCZONMOPTLBZBA-XMMPIXPASA-N 449.547 5.395 30 10 IKEE COc1cc([C@@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2C(C)C)ccc1O 1862728153 URJVYFOJQVVUGF-XMMPIXPASA-N 443.499 5.055 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 1862746590 CGVHHEQQXCHICO-DENIHFKCSA-N 436.508 5.532 30 10 IKEE Cc1ccc(C2=C(Nc3cccc4c3CCCC4)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862905450 OBSDBTVKAWHIHF-UHFFFAOYSA-N 433.511 5.142 30 10 IKEE CCCCCCCCNC1=C(c2ccc(F)cc2)C(=O)N(Cc2ccc(F)cc2)C1=O 1863507036 XOLBKUVDJRROEZ-UHFFFAOYSA-N 426.507 5.195 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC(Cc3ccccc3)CC2)nc(Cc2ccccc2)n1 1867947747 VWGBRTJESQQURM-UHFFFAOYSA-N 438.619 5.705 30 10 IKEE CC(C)c1nc(Nc2ccc(C#N)cc2)cc(N2C[C@H](C)N(c3ccccc3)[C@H](C)C2)n1 1868241806 CIDIFMDJXOYTKQ-BGYRXZFFSA-N 426.568 5.319 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC[C@H]2c2nc3c([nH]2)CCCC3)nc(-c2ccccc2)n1 1869214129 NGUGOYZFGTUNLR-QHCPKHFHSA-N 440.595 5.265 30 10 IKEE CCCCn1cc(OCC=C(C)C)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870164475 BUQSWMZOAUOQRI-UHFFFAOYSA-N 425.598 5.478 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(F)cc2)c(CN2CCCCCC2)cc1=O 1870410950 MTDIDKWFNDTUNH-UHFFFAOYSA-N 428.592 5.761 30 10 IKEE CCCCCCCCCCn1cc(OCCCCC)c(=O)cc1CN1CCC(O)CC1 1870679026 VRSCARGHYMQMGA-UHFFFAOYSA-N 434.665 5.515 30 10 IKEE C=CCOc1cn(CCc2ccc(F)cc2)c(CNc2ccc(OC)c(Cl)c2)cc1=O 1870809445 CPRNRHHYMSDUMG-UHFFFAOYSA-N 442.918 5.069 30 10 IKEE CCCCCCCOc1cn(Cc2ccccn2)c(CNc2ccc(N(C)C)cc2)cc1=O 1870838134 QCGIQOHJKWZZKZ-UHFFFAOYSA-N 448.611 5.319 30 10 IKEE CCCCCCCCCCN=c1nc2c(cnn2C)c(Nc2cc(Cl)cc(Cl)c2)[nH]1 1871298853 LPQXNVNBJRESMR-UHFFFAOYSA-N 449.430 6.388 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1cn(C)c4ccccc14)C3=O)CN(CCCOC(C)C)CO2 1871351628 KKLPRLUIMROFNQ-CFRMEGHHSA-N 446.547 5.070 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc3C2=O)c1 1871382765 DZEUMFLBICYJJN-QFEZKATASA-N 428.484 5.865 30 10 IKEE Cc1cc(OCCc2ccccc2)cc2c1C(=O)/C(=C/c1ccc(Cl)c(Cl)c1)O2 1871400082 GHOBPVMNBNGJRX-XKZIYDEJSA-N 425.311 6.540 30 10 IKEE Cc1ccc(OCCCCOc2cc(C)c3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1 1871404135 CYHXVFQMPUUMOW-ONUIUJJFSA-N 428.528 6.466 30 10 IKEE CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O 1871434405 SKOTVHLILTYLNZ-BDBXIWDTSA-N 435.303 5.720 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(OC)cc2C)[nH]c(N(C)CCCC)n1 1871691711 BDERHDFABMWVJP-UHFFFAOYSA-N 428.625 5.363 30 10 IKEE CCCCCCCCCCNC(=O)c1nonc1OCCOc1cccc2ccccc12 1872715783 UDMNUZSOQYKVJY-UHFFFAOYSA-N 439.556 5.551 30 10 IKEE CC(=O)Nc1cccc(C(=O)[C@H](C#N)c2nc(-c3cccc(Br)c3)cs2)c1 1872763812 VURYTIXNAHPQRY-KRWDZBQOSA-N 440.322 5.021 30 10 IKEE CCCCCCCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnc(C)cn3)n2)cc1 1872776841 ZGEGIYJLLDOBQT-FQEVSTJZSA-N 434.565 5.748 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)COc2c(C)ccc(C)c2C)n1 1872785012 CHDOXVLWCZQSMI-JOCHJYFZSA-N 446.616 6.597 30 10 IKEE CCCCCCCCNC1=C(c2ccc(-n3cccc3)cc2)C(=O)N(CCCCCC)C1=O 1873038111 IWRPDXHWLLTFDT-UHFFFAOYSA-N 449.639 6.088 30 10 IKEE CCCCCCCCNC1=C(c2cccc(Br)c2)C(=O)N(CCCC)C1=O 1873054887 HKGGVQGQJVLUBG-UHFFFAOYSA-N 435.406 5.279 30 10 IKEE CCCCCCCCN1C(=O)C(NCCC2=CCCCC2)=C(c2ccc(Cl)cc2)C1=O 1873138163 FVEDILAQGOUFHS-UHFFFAOYSA-N 443.031 6.261 30 10 IKEE CCCCCCCCN=c1nc2c(cnn2-c2ccccc2)c(Nc2ccc(O)cc2)[nH]1 1873477961 DKZCYIBQZRTZLQ-UHFFFAOYSA-N 430.556 5.459 30 10 IKEE CCC(CC)c1nnc(S)n1/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1873502389 KBXZCKNJRKWASW-WYMPLXKRSA-N 449.407 6.238 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(C(C)(C)C)cc1)n2Cc1ccco1 1873614869 HORSZMKXXLTVQK-UHFFFAOYSA-N 429.524 5.220 30 10 IKEE C=CCOc1ccccc1OCC(=O)Nc1ccccc1C(=O)Nc1ccc(CC)cc1 1873765308 YEEAAVJBPDPHEB-UHFFFAOYSA-N 430.504 5.084 30 10 IKEE Cc1cccc(CSc2nnc(CCCOc3ccccc3C)n2/N=C/c2ccc[nH]2)c1 1874248495 NGJGZTYPRYMVNN-WPWMEQJKSA-N 445.592 5.409 30 10 IKEE Cc1ccccc1CSc1nnc(CCCOc2ccccc2)n1/N=C/c1cccn1C 1874316249 JPAKPSFQEYIXNI-NLRVBDNBSA-N 445.592 5.111 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874403074 RZIZDTYKDDEFLN-ZMOGYAJESA-N 431.392 5.921 30 10 IKEE CCCCCCOc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SC)cc1OC 1874405955 XUEIXSZJBSUUOO-XIEYBQDHSA-N 444.645 5.973 30 10 IKEE O=[N+]([O-])c1ccccc1/C=N/n1c(SCc2ccccc2F)nnc1-c1cccs1 1874422380 IXBJJSZKBLJZSN-WSDLNYQXSA-N 439.497 5.228 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2-c2ccco2)c1 1874468644 RJJORSUCVYPRSQ-WYMPLXKRSA-N 443.359 6.328 30 10 IKEE CC(C)(C)c1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccccc1O 1874484933 VZEMXUPXPQPEOI-FOKLQQMPSA-N 435.380 5.763 30 10 IKEE CCOc1cc(/C=N/n2c(CC(C)C)nnc2SCc2cc(C)ccc2C)ccc1O 1874489630 BKYUGIXDSSEQGL-AFUMVMLFSA-N 438.597 5.372 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2ccccc2Cl)c1 1874517384 ZZCXCFDFVFZKLZ-WYMPLXKRSA-N 439.972 5.039 30 10 IKEE O=C(O)c1ccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C2CC2)cc1 1874523634 YSEMOJIHAMBSFQ-AUEPDCJTSA-N 447.347 5.335 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2cccc3ccccc23)c(C)c1 1874578770 GCMGUYYIAXVLDZ-SDNWHVSQSA-N 426.943 7.585 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)c1OCc1ccccc1 1874587081 UBKUPDJPPKKEFX-VAWYXSNFSA-N 434.963 7.057 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1OCc1cc(C)ccc1C 1874599806 FESLDBVVSIZOGD-SDNWHVSQSA-N 442.599 7.393 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OCC(=O)NCc1ccccc1 1874600500 PKPFARKDOAPLMG-ZRDIBKRKSA-N 443.543 5.212 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OCC(=O)NCc1ccccc1 1874608534 SUGSSMGYDVMAPZ-WYMLVPIESA-N 449.934 5.330 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Cl)c1OCC(=O)OCC(C)C 1874618723 PVZJSBOABCQANM-VMPITWQZSA-N 434.891 5.270 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)NC3CCCCC3)c(Cl)c2)cc1F 1874621314 DDMNVWTVYPRJCP-JXMROGBWSA-N 445.918 5.212 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OCc3cccc4ccccc34)c(Cl)c2)cc1 1874624082 LABLKOVAIUCTSC-MHWRWJLKSA-N 440.970 8.092 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cc1C 1874631757 SFDOVRHRGBRBQU-DHZHZOJOSA-N 437.898 6.010 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 1874638550 GBOJJRGGZNUNJG-PMXLPMHFSA-N 449.934 5.501 30 10 IKEE CCCCCCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(C)cc1C 1874690119 DCNMQGGCXJJCGA-AREMUKBSSA-N 447.623 6.201 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc3c(c2)OCO3)c1)c1ccc2c(c1)CCCC2 1874693726 SNZMAQAFEJWUGB-XYOKQWHBSA-N 426.468 5.409 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(OC)c(OC)c3)c2)cc1 1874695890 XNDXXOBACQBENR-FOWTUZBSSA-N 444.527 6.162 30 10 IKEE COc1cccc(CCC(=O)Oc2cc(/C=C/C(=O)c3ccccc3OC)ccc2OC)c1 1874698841 QLCRVXWQRGEPFC-SDNWHVSQSA-N 446.499 5.147 30 10 IKEE COc1ccc(OCCCC(=O)Oc2cccc(/C=C/C(=O)c3cc(C)ccc3C)c2)cc1 1874703473 RHZDBDMQKAXBST-LFIBNONCSA-N 444.527 5.973 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(OC)c1OC(=O)c1cccs1 1875104061 DQPJSUAUUJANSX-VAWYXSNFSA-N 434.513 5.609 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)c(C)c3)c(OC)c2)cc1 1875115216 RRFKGVJTDRPXND-LFYBBSHMSA-N 434.463 5.196 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3F)cc2[N+](=O)[O-])cc1C 1875125134 SZGROQLYUFLATN-RUDMXATFSA-N 437.398 5.605 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3ccccn3)c(OC)c2)cc1 1875129247 RBUUOCXBRVYWCK-KPKJPENVSA-N 437.879 5.258 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)C1CCCC1 1875132990 YQSVIIHUGDTSDR-YRNVUSSQSA-N 433.331 6.384 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3c(OC)cccc3OC)cc2)cc1 1875137464 NOANIXDYVQOTEX-LICLKQGHSA-N 446.499 5.608 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2Cl)cc1 1875148855 XFQMMUFNHIMYEE-LZYBPNLTSA-N 446.974 7.315 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2OC)cc1 1875156592 CHAUFQKUXIKLDS-LZYBPNLTSA-N 428.528 6.496 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C(C)C)c(OC)cc3C)cc2)cc1 1875163585 SAKVQSJVHACEGG-OVCLIPMQSA-N 444.527 6.251 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@H](C(F)F)N(C)C(=O)OC(C)(C)C)NCCC 1939761298 GNUBTNDKRPSZKD-WOJBJXKFSA-N 426.548 5.018 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2032218609 YREZQXYRRWLCEL-OSPHWJPCSA-N 447.551 5.544 30 10 IKEE CC1(C)OB(c2cc(F)cc(CN(CCC(F)(F)F)Cc3ccccc3)c2)OC1(C)C 2034720318 DGPHZJZRLGFXRP-UHFFFAOYSA-N 437.286 5.080 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C1CCCC1)C2 2037726601 BQLCUHAFFAHUIH-RUZDIDTESA-N 447.620 5.630 30 10 IKEE CCOc1cccc(C=C2CC(O)(C(F)(F)F)CC(=Cc3cccc(OCC)c3)C2=O)c1 2042437370 UFKQLUWTDJQQIR-UHFFFAOYSA-N 446.465 5.607 30 10 IKEE C=C(c1ccccc1)[C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2076572771 KNUIFMGWAVVGQZ-GVXSCFBNSA-N 438.612 5.567 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NC)c2c(Br)ccc(Cl)c2F)C1 2077082784 NGABVCLEWMFVOL-OAHLLOKOSA-N 433.749 5.116 30 10 IKEE Fc1cc(Cn2nc(C3CCC3)c(Br)c2C(F)(F)F)cc(C(F)(F)F)c1 2078993634 IDTAXZCLZMOSCK-UHFFFAOYSA-N 445.176 6.138 30 10 IKEE C[C@@H](c1ccc(C(F)(F)F)cc1)n1nc(C(F)(F)F)c(C=NO)c1Br 2079936334 LBYGNQPNGZQQDU-ZETCQYMHSA-N 430.146 5.101 30 10 IKEE Cc1cc(O)c([C@H](C(C)C)n2nc(C3CCC3)c(C#N)c2I)cc1C 2079985449 KUEUUTAZSQMQNN-IBGZPJMESA-N 449.336 5.195 30 10 IKEE CC(C)Oc1ccc([C@H](C(C)C)n2nc(C(F)(F)F)c(C#N)c2Br)cc1 2080058063 SEPUQJWCRAVIIZ-HNNXBMFYSA-N 430.268 5.569 30 10 IKEE CCOc1ccc([C@H](C(C)C)n2nc(C(F)(F)F)c(C=NO)c2Br)cc1 2080114958 YQIFKQWCIRGCGT-AWEZNQCLSA-N 434.256 5.117 30 10 IKEE N#Cc1c(-c2ccccc2)nn(Cc2ccc(Br)c(F)c2)c1Br 2080355942 INRPJKIXZICVCP-UHFFFAOYSA-N 435.094 5.134 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)cc(Br)c1)NCC 2110497244 FUJARLGQSVKKEB-ZWKOTPCHSA-N 445.829 5.483 30 10 IKEE C=C1CC(C[C@@H](NCCC)c2ccc(I)c(Br)c2)C1 2125736553 WDAKRQKCQZVTSN-MRXNPFEDSA-N 434.159 5.451 30 10 IKEE C#CC(C)(C)C[C@@H](NCCC)c1ccc(Br)cc1I 2142287172 LPKFGBXGYNDCBV-OAHLLOKOSA-N 434.159 5.144 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)C1(C#N)CC(C2CCCCC2)C1 2151225148 ULFWZTQWLRFPHL-UHFFFAOYSA-N 433.390 6.443 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@](C#N)(Nc1ccc(Br)cc1)C2 2155266008 RPHZFTYYUIMEEJ-NRFANRHFSA-N 434.378 5.325 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(Nc2ccccc2Br)CC12CCCCC2 2155294502 JBVVELOIADEXTK-FQEVSTJZSA-N 434.378 5.467 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(Nc2cc(Br)ccc2C#N)cc1 2162386702 FYCSQBIEKKJZBE-PKOBYXMFSA-N 428.330 5.445 30 10 IKEE CCCCCCC[C@@H](CO)N(C(=O)OCc1ccccc1)c1ccccc1Br 2219996317 XLIAQFVJBKIZGO-FQEVSTJZSA-N 448.401 6.314 30 10 IKEE C=CC[C@H](C)[C@@H](NCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229108480 XCCZSTOMNVSQPN-KFKAGJAMSA-N 425.411 5.075 30 10 IKEE Cc1c(Br)sc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)c1C 2265881562 DHAQOWWWYOWRIP-HNNXBMFYSA-N 439.350 6.273 30 10 IKEE CC(C)(C)C#CC=CC[C@@H](O)c1cc(Br)ccc1I 2268830392 IWEFRULEZLHSHC-OAHLLOKOSA-N 433.127 5.083 30 10 IKEE C=CC[C@@]1(COc2cc(Br)nc(C(C)C)n2)CCCN1C(=O)OC(C)(C)C 2287728052 IKXGPRKLVMUDPL-FQEVSTJZSA-N 440.382 5.087 30 10 IKEE CCCC[C@H](NC(=O)OC(C)(C)C)[C@@H](C#Cc1cccc(Br)c1)NCCC 2296222579 SXFFNFDVXVGLAI-UXHICEINSA-N 437.422 5.252 30 10 IKEE C[C@@H](c1ccc(NC(=O)OC(C)(C)C)cc1)[C@H](O)C#Cc1ccc(Br)cc1 2296280849 DZOAJBFEKYLSPH-MGPUTAFESA-N 430.342 5.312 30 10 IKEE CCCN(CCC)Cc1c(O)ccc2c1OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O 2296598798 NGWGGYWOKMYRKF-UHFFFAOYSA-N 443.927 5.150 30 10 IKEE CCn1cc(C=C2Oc3cc(OC(=O)C=Cc4ccccc4)ccc3C2=O)c2ccccc21 2296607556 RJCNDIUKZRXYMB-UHFFFAOYSA-N 435.479 5.896 30 10 IKEE Cc1cc(C)cc(-n2c(C)cc(C=C3SC(=Nc4ccc(Cl)cc4)NC3=O)c2C)c1 2297298491 WVSGKKHBDQIDEU-UHFFFAOYSA-N 435.980 6.256 30 10 IKEE N#Cc1cc2c(nc1SCC=CCSc1nc3c(cc1C#N)CCCC3)CCCC2 2297300470 DLBYDFDYRBXKHX-UHFFFAOYSA-N 432.618 5.418 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@H]2CC[C@H]1C[C@@]2(C)NC(=O)OC(C)(C)C 2307591162 LIIQXISRMMBVMQ-UHYIISDYSA-N 435.609 5.388 30 10 IKEE Cc1ccc(Sc2ccc(C=C3SC(=Nc4cccc(Cl)c4)NC3=O)o2)cc1 2313560288 OYSPJKCKNDHFOE-UHFFFAOYSA-N 426.950 6.284 30 10 IKEE CC(C)c1ccc(C=C2Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc3C2=O)cc1 2314438447 SRNBESRPWCDOBQ-UHFFFAOYSA-N 429.428 5.554 30 10 IKEE Cc1ccc(COc2ccc(C=Nn3cnnc3SCc3ccccc3F)cc2)cc1 2321283870 SLIPXRGBVXEUNG-UHFFFAOYSA-N 432.524 5.479 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccccc2OCc2ccc(F)cc2)cc1 2322758559 KFYVFLSBIXGZNV-UHFFFAOYSA-N 446.562 7.650 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1c(OCc2ccccc2)ccc2ccccc12 2322930254 KFBYDEHRQNKRKH-UHFFFAOYSA-N 442.942 7.285 30 10 IKEE CCCOC(=O)COc1ccc2ccccc2c1C=CC(=O)c1cc(C)c(OC)cc1C 2322985459 DBXTTZHYIVWQLS-UHFFFAOYSA-N 432.516 5.693 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OC(=O)C=Cc4ccc(Cl)cc4)c3C)C2=O)cc1 2323327740 OIXWUYPAYUEIEO-UHFFFAOYSA-N 444.914 6.446 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OCC(=O)Nc2cc(C)cc(C)c2)c1 2323332297 VGOCKYDQRYIDSN-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE O=C1C(=Cc2ccccc2Cl)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc21 2323561807 UGZNSCGZEVGPRB-UHFFFAOYSA-N 444.826 5.282 30 10 IKEE CCCOC(=O)COc1ccc(C=CC(=O)c2ccc(OCCC)c(OCCC)c2)cc1 2323744283 OIKCZFAEHQYGHQ-UHFFFAOYSA-N 440.536 5.492 30 10 IKEE C=CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2F)C3=O)cc1 2323865342 PTZIKGHGHCGSNZ-UHFFFAOYSA-N 430.431 5.534 30 10 IKEE CCCOc1cc(C=NNc2nc(-c3ccc(OC)cc3OC)cs2)ccc1OC 2323865914 RDHGFSOMEAAVBV-UHFFFAOYSA-N 427.526 5.071 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1 2323922508 NIUJQYXWUDDQHQ-UHFFFAOYSA-N 441.354 7.257 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3F)c([N+](=O)[O-])c2)cc1 2323933540 BIBTZISZFUVLGZ-UHFFFAOYSA-N 435.451 5.998 30 10 IKEE Cc1cc(O)c(CN2CCCc3ccccc32)c2c1C(=O)C(=Cc1ccc(C(C)C)cc1)O2 2324025708 YVISLLYJXUFLLV-UHFFFAOYSA-N 439.555 6.393 30 10 IKEE Cc1cc(O)c(CN2CCC[C@@H](C)C2)c2c1C(=O)C(=Cc1ccccc1Br)O2 2324066487 QUZDUBIRRWOKAQ-CQSZACIVSA-N 442.353 5.311 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1 2324161714 GPYGFSMGXFCMEN-UHFFFAOYSA-N 435.907 6.847 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1ccccc1)C2=O 2324335621 STQBNFNFLGZYIG-SFHVURJKSA-N 427.500 5.580 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OCc3cccc(C)c3)c(OC)c2)c1 2324404202 GZHQWCNNUDCPEO-UHFFFAOYSA-N 446.543 6.276 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(OC)cc3OC)cc2)cc1 2324464635 SKKLSCIALQZVHQ-UHFFFAOYSA-N 445.515 5.180 30 10 IKEE CCc1ccc(OCCCOc2ccc3c(c2C)OC(=Cc2cccc(C)c2)C3=O)cc1 2324665545 JQDMROHFNWVDTH-UHFFFAOYSA-N 428.528 6.330 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)N[C@@H](C)c4ccccc4)cc(C)c3C2=O)cc1 2325020182 BMHYKIOITVZTSW-IBGZPJMESA-N 441.527 5.430 30 10 IKEE COc1cccc(COc2cc(C)c3c(c2)OC(=Cc2c(Cl)cccc2Cl)C3=O)c1 2325699796 GTAUTKKMIYHFQH-UHFFFAOYSA-N 441.310 6.506 30 10 IKEE Cc1ccc2nc(-c3ccc(NC(=O)C(=O)C=Cc4ccc5c(c4)OCO5)cc3)sc2c1 2325700044 NJJOVRZGHDMOPK-UHFFFAOYSA-N 442.496 5.221 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC(=O)CCCOc3cccc(C)c3)c2)cc1 2325706002 QAERLUIKXFYQRF-UHFFFAOYSA-N 428.528 6.218 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OC(=O)[C@@H]1C[C@H]1c1ccccc1Cl 2325737854 ZTEXAEFSCBDZCO-FCHUYYIVSA-N 446.930 6.262 30 10 IKEE COc1cccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 2325746629 VLAYGJMAFJSQII-UHFFFAOYSA-N 444.527 5.873 30 10 IKEE CCc1ccc(C(=O)Oc2cc(C=CC(=O)c3ccc(C(C)C)cc3)ccc2OC)cc1 2325750427 ZAVFWUUVKDRMEY-UHFFFAOYSA-N 428.528 6.496 30 10 IKEE C=CCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccc[nH]1 2325812440 OPYZKGSAYQHGQG-UHFFFAOYSA-N 429.977 5.048 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1N=Cc1c(OCC)ccc2ccccc12 2326272321 QRSCHIZQEHFGQA-UHFFFAOYSA-N 448.567 6.096 30 10 IKEE CCSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1cccc(Cl)c1 2326320706 ALLXROQHIMUHRY-UHFFFAOYSA-N 428.989 5.500 30 10 IKEE COc1ccc(C=Nn2c(C)nnc2SCc2cc(C)ccc2C)c(Cl)c1OC 2326589536 IONZKMMBXFGVMY-UHFFFAOYSA-N 430.961 5.048 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc(O)cc1O 2326596898 HEGORTDBDBZEFH-UHFFFAOYSA-N 444.560 5.178 30 10 IKEE C=CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccc(F)cc1F 2326924382 SWTKMQLYEYHDBL-UHFFFAOYSA-N 428.552 5.476 30 10 IKEE C=C(C)CSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1cccc(OC)c1O 2328156044 BQNBAPCSWYPTAR-UHFFFAOYSA-N 442.629 6.007 30 10 IKEE Cc1cccc(OCc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccco2)c1C 2328822728 HZCMMAJTNYIPEH-UHFFFAOYSA-N 436.512 5.381 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(O)cc1O 2330066233 YOKQFBRXVXHODP-MRXNPFEDSA-N 448.523 5.155 30 10 IKEE Fc1ccccc1CSc1nnc(CC2CCCCC2)n1N=Cc1ccc(Cl)cc1 2330271493 RIQISUVWZUGLFL-UHFFFAOYSA-N 442.991 6.368 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1cccc(F)c1 2330671282 TWMMOKUDBFGUAO-UHFFFAOYSA-N 440.470 6.493 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1 2330678510 CEZFUFCYUZXQPO-UHFFFAOYSA-N 440.539 6.008 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3cccc(C)c3)cc2)cc1 2330952997 XWCFDFFAOZNFCT-UHFFFAOYSA-N 430.500 5.664 30 10 IKEE Fc1ccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C2CCCC2)cc1 2331093868 AHLONWCYYLKQFZ-UHFFFAOYSA-N 449.382 6.556 30 10 IKEE Cn1cccc1C=Nn1c(SCc2ccc(Cl)cc2Cl)nnc1C1CCCC1 2331094143 IGOBVAHVSMFGNP-UHFFFAOYSA-N 434.396 5.756 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(OCC)cc3)c(OC)c2)cc1 2331212066 YNMPLCAHJNBJLI-UHFFFAOYSA-N 446.499 5.608 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2)cc1 2331216261 JZQBXZXWRAAEFZ-UHFFFAOYSA-N 430.500 5.583 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3)cc2Cl)c1 2331260057 IQXHBWDEBPWYJU-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(C(F)(F)F)cc1 2331293393 FPESLMRMBVCSNI-UHFFFAOYSA-N 440.417 6.138 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc4c(c3)OCO4)c(Cl)c2)c1 2331320069 GNAIBAWQNHCGLE-UHFFFAOYSA-N 434.875 5.801 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OC 2331331104 UBFSPYFZWOOLPP-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1OC 2331397087 HCVWMZHODZMZHT-UHFFFAOYSA-N 430.884 5.112 30 10 IKEE CCCSc1nnc(CC(C)C)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2331463667 YUKQFUGZGCCANN-UHFFFAOYSA-N 443.016 6.093 30 10 IKEE COc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1 2331612353 LFUIBDZXRZGWEF-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2[N+](=O)[O-])c1 2331707147 ORPVRLWEXCFVMZ-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc1OC 2331741279 CAZIXEJSHZJJTN-UHFFFAOYSA-N 437.319 5.921 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)CCc1ccccc1 2331779725 KSLLTVQKMXGKHC-UHFFFAOYSA-N 442.555 6.445 30 10 IKEE CCCCCCCC[C@@H](N)Cc1ccc(I)c(Br)c1 2349911252 WRCSMXDZXJFCGV-CQSZACIVSA-N 438.191 5.674 30 10 IKEE CC(C)CCN1C(=O)/C(=N/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc21 3343491 BKHASKDTPWHZNH-MTDXEUNCSA-N 428.376 6.238 30 10 IKEE C=C(C)COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)c1ccccc1n3CC)N2 20685181 DDLSFWQYCHTJTL-WPJFONKGSA-N 434.583 7.596 30 10 IKEE CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccccc2F)c1-c1ccc(C#N)cc1 25144379 AOHXYPINWNNLEE-UHFFFAOYSA-N 441.506 6.208 30 10 IKEE O=C1N/C(=N\N=C\c2ccccc2)S/C1=C/c1ccc(-c2cccc(Cl)c2Cl)o1 33568172 NECBKSVAAYVJFY-JGYDOUFFSA-N 442.327 5.847 30 10 IKEE COc1ccc(/C=N/c2ccccc2[C@@](O)(Cc2ccccc2)c2ccccc2)cc1OC 34798457 CECFDIOCJAXWLU-QEUXCTTPSA-N 437.539 5.933 30 10 IKEE COc1ccc(/C=C2\CC[C@]3(C[C@H]4CCCC[C@]4(O)O[C@@H]3c3ccc(OC)cc3)C2=O)cc1 37229405 LHZZMHLXKOFUGQ-WUVYJQPQSA-N 448.559 5.477 30 10 IKEE C=CCn1c(C(=O)NCc2cccc(C(F)(F)F)c2)cc2scc(Br)c21 37542250 WBAPQOYBGGWGQK-UHFFFAOYSA-N 443.288 5.600 30 10 IKEE COc1ccc2c(c1)O/C(=C\c1cccc(OC(=O)c3ccc(C(C)(C)C)cc3)c1)C2=O 39856405 FOBCUMCJGFLKQQ-IWIPYMOSSA-N 428.484 5.828 30 10 IKEE Cc1cc(C)cc(NC(=O)c2oc3c(c2C)/C(=N/NC(=S)Nc2ccccc2)CCC3)c1 40825111 WDUHEBMEBUPNPS-VFCFBJKWSA-N 446.576 5.484 30 10 IKEE CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)OCC)C(=O)OCC 100095851 PKYNCDQAFVITPJ-QFIPXVFZSA-N 441.653 5.859 30 10 IKEE CCCCCCCOc1cccc(NC(=O)CNc2ccc(C(=O)NCCCC)cc2)c1 100097897 PGFCEJOIODTNTH-UHFFFAOYSA-N 439.600 5.616 30 10 IKEE CN1C(=O)C[C@H](C(=O)Nc2ccccc2Cl)S/C1=N\c1ccc(Cl)c(Cl)c1 100262708 MJYUMRURLWJKOW-VGLIXDPASA-N 442.755 5.237 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1ccc(CCC(=O)NC)cc1 100444417 URKULAABFDTNFO-UHFFFAOYSA-N 447.689 5.879 30 10 IKEE C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccc(/N=N/c2ccccc2)cc1 101223493 LLUDDHWESILQNA-CPSJEZDLSA-N 430.964 7.704 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(NC[C@H]2CCCO2)c1N 101501821 IFRLYNXVIQBIIL-JOCHJYFZSA-N 433.685 6.543 30 10 IKEE Cc1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccc(Cl)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 102535854 LHBNCNIDBBNVIY-AGGMBTAESA-N 448.862 5.183 30 10 IKEE CCc1ccc(/C=C2/Oc3cc(OS(=O)(=O)c4ccc(Cl)cc4)ccc3C2=O)cc1 103022984 HFXKAEFQUZNBRX-LPYMAVHISA-N 440.904 5.286 30 10 IKEE Sc1nnc(-c2cccs2)n1/N=C\c1cccc(OCc2ccc(Cl)cc2)c1 169912474 JRUUNBBFRFMZAB-UUYOSTAYSA-N 426.954 5.410 30 10 IKEE CN1C(=S)N[C@H](c2c(OCc3ccc(F)cc3)ccc3ccccc23)C2=C1CCCC2=O 169936798 YTKNJENUYKAEKF-RUZDIDTESA-N 446.547 5.426 30 10 IKEE COc1cccc(/C=N\Nc2nc(-c3ccccc3)c(C)s2)c1OCc1cccc(C)c1 169940819 VXJYVXQRQPVJTI-YUMHPJSZSA-N 443.572 6.461 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2cc(C)ccc2O)c1 169970736 FIWCCXYMCCSPSY-XMMPIXPASA-N 438.483 5.273 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@H]1c1ccncc1)c1cccc(Cl)c1 170018280 GCILFWKAGHHIPR-IBGZPJMESA-N 443.261 5.310 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@H]2c2ccncc2)cc1C 170021584 VWXFURUMNXISIG-QFIPXVFZSA-N 432.907 5.443 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccccc2F)s1 170070245 YNODJMMQMVGWAH-FQEVSTJZSA-N 436.508 5.299 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2cccc(O)c2)c(C)c1 170080539 QLJLHCWCQZZUBY-XMMPIXPASA-N 443.499 5.109 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(OC)cc2)c1 170114646 JLQLFXLUKGMQRG-DEOSSOPVSA-N 449.547 5.395 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1cccc(C)c1 170140865 YPCIIJZQYVQVOV-DEOSSOPVSA-N 441.527 5.712 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@@H]1c1cccc(C)c1 170147440 SUUCFDLFUQNWHP-NRFANRHFSA-N 427.928 5.426 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2cccs2)c1 170158405 YUKIFKBGJKWTDX-XMMPIXPASA-N 439.536 6.301 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccccn2)c1 170173447 DUJDGMSIWLXKRF-JOCHJYFZSA-N 448.906 5.305 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCCC)[C@@H]2c2ccccn2)cc1 170181151 SCUXFTABCSAUNO-HSZRJFAPSA-N 436.552 5.419 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccnc2)cc1 170184910 SMHFMHODSSTSHW-HSZRJFAPSA-N 446.478 5.038 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccncc1)c1cccc2ccccc12 170203737 IDNVTQXPDNLPBQ-HSZRJFAPSA-N 440.886 5.671 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2C2CCCC2)c1 170218589 PJQPCWORGZYWCO-QHCPKHFHSA-N 430.504 5.088 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccc(F)cc2)c1 170240096 YGSMFJQQYKBAAY-XMMPIXPASA-N 445.490 5.706 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1ccc(C(C)C)cc1 170245684 IHPRGVIGYNKITA-JOCHJYFZSA-N 433.504 5.553 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)c(Cl)c2)=C(O)C(=O)N1CCOC(C)C 170270546 ORBDHMLUGGXQEB-FQEVSTJZSA-N 448.346 5.305 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1c1ccccc1O 170271778 BDMMZEXQZQECCR-VWLOTQADSA-N 439.511 5.362 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2C)cc1 170275452 VDUVXTIUJSBHNF-DEOSSOPVSA-N 433.548 5.695 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2sccc2C)cc1 170319662 CUXLSMRBHNCUMX-FQEVSTJZSA-N 425.550 5.366 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1cccc2ccccc12)c1cccs1 170370113 PEQPVISAQLJHSO-JOCHJYFZSA-N 445.927 6.338 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C)s1)N2 251227427 KUJOCSUTWKTUQY-SELNLUPBSA-N 426.607 5.246 30 10 IKEE Cc1ccccc1N=C1S/C(=C/c2ccc(C(=O)O)cc2)C(=O)N1c1ccccc1C 252626906 RIEYRCAHBYQSFJ-XKEFNESHSA-N 428.513 5.810 30 10 IKEE Sc1nnc(-c2cc(-c3ccccc3)[nH]n2)n1N=Cc1c2ccccc2cc2ccccc12 254716122 WCLOWKRTLPNLSV-UHFFFAOYSA-N 446.539 5.813 30 10 IKEE C[C@@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@]2(C)[C@H](C(=O)COC(=O)c3ccccc3)CC[C@H]12 504153355 RSZHYTMCURJIHZ-CMACJVPWSA-N 434.576 5.561 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3cccc4ccccc34)[C@@H]2c2ccc(Cl)cc2)c1 526520836 OQDUQLLLOXONLO-VWLOTQADSA-N 436.898 6.422 30 10 IKEE CC(C)c1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(Sc3ccccc3)C2=O)cc1 526659042 HZVQRRVXFQQMBM-UHFFFAOYSA-N 439.540 5.671 30 10 IKEE Cc1ccc(CSc2nncn2/N=C\c2cc(Cl)c(OC(C)C)c(Cl)c2)cc1 526803882 SZBYKDOPSATJRX-VROXFSQNSA-N 435.380 5.855 30 10 IKEE CCOc1c(/C=N\n2c(CC)nnc2SCc2cccc(Cl)c2)cccc1OC 526811085 ARDNTPMJGRIURR-QRVIBDJDSA-N 430.961 5.076 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccc(OC(C)C)cc1 526811402 JWZHMEBHZDNMJB-OYKKKHCWSA-N 428.989 5.846 30 10 IKEE CCCCCOc1ccc(/C=N\n2c(C)nnc2SCc2cccc3ccccc23)cc1 526821276 KEBATZGAGJNSOB-IMRQLAEWSA-N 444.604 6.483 30 10 IKEE C=CCN(CCOc1cccc2ccccc12)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586132109 HGHZOCPTUSXVRK-UHFFFAOYSA-N 436.360 5.402 30 10 IKEE Cc1cc(Cl)cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)c1 698489049 NSHKCFVIGVBQLM-SFHVURJKSA-N 435.749 6.417 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2cc(Br)c(C)s2)cc1 698924289 SMXLJEGALXDVHZ-MRXNPFEDSA-N 437.359 5.834 30 10 IKEE CCOC(=O)c1ccc(-c2ccc(/C=C\C(=O)c3ccc(C(F)(F)F)nc3O)o2)cc1 731564437 FFTVCOLHVMIKIZ-YFHOEESVSA-N 431.366 5.139 30 10 IKEE Cc1occc1C(=O)Nc1cccc(C(=O)/C=C\c2c[nH]nc2-c2cccc([N+](=O)[O-])c2)c1 1772728159 PVGVXEPCJPFWNE-HJWRWDBZSA-N 442.431 5.035 30 10 IKEE O=C1/C(=C\c2ccc3c(c2)OCO3)SC(=Nc2cccnc2Cl)N1c1ccccc1 1772732872 HGOUCBDFVVWWPC-QCIUGURRSA-N 435.892 5.272 30 10 IKEE CCCCOc1ccc(/C=C2\SC(=Nc3cccnc3Cl)N(C)C2=O)cc1OC 1772735992 JZIYSGPQNKGMGL-SDWZUDADSA-N 431.945 5.156 30 10 IKEE O=C(ON1C(=O)c2ccccc2C1=O)c1sc2cc(Cl)cc(Cl)c2c1Cl 1772783372 NAGHPMMLWQQMDB-UHFFFAOYSA-N 426.664 5.230 30 10 IKEE CCCc1nc2scc(-c3ccc(Cl)c(C)c3)c2c(=O)n1Cc1cccc(C#N)c1 1857802899 PLJJWZGCNLBFBP-UHFFFAOYSA-N 433.964 5.959 30 10 IKEE C=CCN(CC=C)C(=O)Oc1cccc2c(NC(=O)CCC(=O)c3ccccc3)cccc12 1858950835 QILLSRRRAJSLTL-UHFFFAOYSA-N 442.515 5.614 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1861028944 RKUBSVZHMSZHHG-JOCHJYFZSA-N 439.984 5.404 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)c1cccc(Br)c1 1861333323 MSUKHSKIBAZOSH-LJQANCHMSA-N 425.411 5.214 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)c1ccc2nc(C(C)C)[nH]c2c1 1861447768 PSOZVHBFRWNDCY-HXUWFJFHSA-N 428.621 5.452 30 10 IKEE CCCCCCCCNC(=O)c1ccc2nc(-c3cc(Cl)c(OC)c(OC)c3)[nH]c2c1 1861874503 VGXOKPLIVCYPIN-UHFFFAOYSA-N 443.975 5.991 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)c(Cl)c2)n1 1862361400 JQHRIOYHBYSZMS-UHFFFAOYSA-N 446.765 6.314 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2cccc(F)c2)cc1 1862390348 BHHHMUDIUHOQKK-UODBTFMRSA-N 449.566 6.325 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2cccc(C)c2)cc1C 1862400678 KBSQQDGRXDVOGP-JKHABCDFSA-N 433.548 5.469 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CCCCC2)c1 1862419940 XZPASHYCOQYLRY-JOCHJYFZSA-N 441.474 5.275 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862476747 DTLOMPKSJJIXBO-RUZDIDTESA-N 442.559 6.168 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc2cc[nH]c2c1 1862478055 YBDMNOKNUPCHDG-VWLOTQADSA-N 444.575 6.415 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 1862478547 JNKGJKKYGALQQI-QHCPKHFHSA-N 448.519 5.594 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc(Cl)cc2)c1 1862491480 UTGLRZBCDNOHRU-OAOOKAIFSA-N 437.967 6.114 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862591448 ZILZVBSGMQLKAX-DEOSSOPVSA-N 433.548 5.646 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(C(C)(C)C)cc2)=C(O)C(=O)N1C[C@H]1CCCO1 1862614106 XYYSHGGVHNBCRO-NFBKMPQASA-N 433.548 5.050 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862664500 KJZJJSJHPVRNOA-RUZDIDTESA-N 448.607 5.463 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862666850 NIEPYALDAJGIFO-DEOSSOPVSA-N 449.591 5.722 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccc2ccccc12 1862667115 SWOUOUKUXKDHGM-VWLOTQADSA-N 427.544 6.342 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2c(Cl)cccc2Cl)cc1 1862667845 LDXBUHWGHAGVJX-ZUOKHONESA-N 448.346 5.076 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccccc2C)c1 1862699328 SLIWNNYPEHBWDT-DEOSSOPVSA-N 431.532 5.472 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc2cc[nH]c2c1 1862702186 WJCVRHLOPRXRQQ-HSZRJFAPSA-N 432.520 5.335 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2cccc(F)c2)c1 1862703513 VWSUMVHOIFRKBK-QHCPKHFHSA-N 435.495 5.303 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCCCO)[C@H]1c1cccc(Cl)c1)c1ccc2ccccc2c1 1862712545 TYWMORDGVUBTPJ-QHCPKHFHSA-N 449.934 5.234 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1c(F)cccc1Cl 1862719030 HRXPZXNZZSABNY-JLCFBVMHSA-N 437.898 6.009 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc2ccccc12 1862719589 NHACCJGEDQYVNV-AREMUKBSSA-N 435.523 6.227 30 10 IKEE CC(C)c1ccc(NC2=C(c3ccc(F)cc3F)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862954017 XNPPKZIKBIRARC-UHFFFAOYSA-N 443.453 5.356 30 10 IKEE N#Cc1ccc(NC2=C(c3cccs3)C(=O)N(c3ccc(Cl)cc3Cl)C2=O)cc1 1863116615 XUJSYZGOQAFTQX-UHFFFAOYSA-N 440.311 5.323 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc3c[nH]nc3c2)=C(c2ccc(F)cc2)C1=O 1863140540 RMXRTIZIWQFKJD-UHFFFAOYSA-N 434.515 5.255 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@H](C)c2ccccc2)=C(c2ccc(C)cc2)C1=O 1863620625 ZYJVIVCIRMFPNT-HSZRJFAPSA-N 446.635 6.566 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc(Nc3ncnc4ccc(Br)cc34)c2)c1 1866100033 HQQLCDXYEPFSOR-UHFFFAOYSA-N 444.292 5.260 30 10 IKEE CC[C@](C)(NC(=O)C[C@H](c1ccc(Cl)cc1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866753686 AVGXKYMLZUTTHD-URXFXBBRSA-N 425.960 5.265 30 10 IKEE CC(C)c1nc(Nc2ccc(C#N)cc2)cc(N2CCC(Oc3cccc(Cl)c3)CC2)n1 1868242350 MUJUTBKXDFARFD-UHFFFAOYSA-N 447.970 5.916 30 10 IKEE CCCCCCCCCCNC(=O)c1cn(-c2cc(Cl)cc(Cl)c2)c(=O)cc1O 1870133182 NSRHYIQOXCYVJE-UHFFFAOYSA-N 439.383 5.720 30 10 IKEE CC(C)c1cc(C(C)C)cc(-n2nnc(C#N)c2NC(=O)c2cc3ccccc3n2C)c1 1870161007 VMAFXYFNZWCDBS-UHFFFAOYSA-N 426.524 5.130 30 10 IKEE C=CCn1cc(OCC(=O)Nc2ccc(C)cc2C)c(=O)cc1CSc1ccc(C)cc1 1870228713 CMKBIXGOIXROPL-UHFFFAOYSA-N 448.588 5.269 30 10 IKEE CCOc1cn(CCc2ccc(C)cc2)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870236986 IGMZTSDEPDZXTJ-UHFFFAOYSA-N 447.604 5.282 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCC1=CCCCC1 1870350855 ZZXYDDGZWRUKFA-UHFFFAOYSA-N 443.591 5.363 30 10 IKEE CCCCCCCOc1cn(CCCCN2CCCC2)c(CN2CCCCC2)cc1=O 1870414246 ILJPLIQKDKHWQC-UHFFFAOYSA-N 431.665 5.059 30 10 IKEE CCCCCCCCCCn1cc(OCC(C)C)c(=O)cc1CN1C[C@@H](C)C[C@H](C)C1 1870436631 CKCUUIXVTFHJQT-ZEQRLZLVSA-N 432.693 6.502 30 10 IKEE CCCCCCCCn1cc(OCC)c(=O)cc1CNc1cc(NC(C)=O)ccc1C 1870788332 IEJLQEPSNYMURZ-UHFFFAOYSA-N 427.589 5.486 30 10 IKEE CCCCCCCOc1cn(CCCC)c(CNc2ccc(N3CCCC3)cc2)cc1=O 1870830402 MIGXUKAQZNVOAY-UHFFFAOYSA-N 439.644 6.210 30 10 IKEE CCCCCCCCn1cc(OCCOC(C)C)c(=O)cc1CNc1ccccc1CC 1870986582 IQRIZAZWXSRUQJ-UHFFFAOYSA-N 442.644 6.187 30 10 IKEE C=CCn1cc(OCc2cccc(F)c2)c(=O)cc1CNc1ccc(OC)c(Cl)c1 1871062874 QAPYPEXQHDVDNJ-UHFFFAOYSA-N 428.891 5.027 30 10 IKEE CCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CNc1ccc2c[nH]nc2c1 1871258280 PNZNIHMDRVUTKY-UHFFFAOYSA-N 438.616 6.122 30 10 IKEE CC(C)(C)c1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccccc3F)CO4)C2=O)cc1 1871346969 NBGBUVVZDZFTBD-QFEZKATASA-N 443.518 6.092 30 10 IKEE Cc1c(OC(=O)COc2ccc(Cl)cc2)ccc2c1O/C(=C\c1cccc(F)c1)C2=O 1871380685 BSVKTYUJDRMZIN-MTJSOVHGSA-N 438.838 5.388 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)c(OC)c1 1871386107 DDHTVIBUFQJHTG-JJFYIABZSA-N 436.847 5.193 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(=O)c(-c4ccc(OC)cc4)coc3c2)cc1 1871389662 ITUVQOVHIYMGBB-UHFFFAOYSA-N 428.440 5.253 30 10 IKEE COc1ccccc1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(C)cc1)C2=O 1871411851 KJWMKMVVLHKASB-SMNNTEATSA-N 443.499 5.334 30 10 IKEE CCn1cc(/C=C2\Oc3c(ccc(OCCc4ccc(C)cc4)c3C)C2=O)c2ccccc21 1871437592 MNXMHRQKPBBOMY-PKAZHMFMSA-N 437.539 6.516 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1)[C@@H](C)CC)S(=O)(=O)c1c(C)cc(C)cc1C 1872149274 BMOFPWDULIBEGE-WMZHIEFXSA-N 442.625 5.232 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872251934 BGUSCBXIGUJJDP-DEOSSOPVSA-N 442.625 5.376 30 10 IKEE CC(C)c1ccc(O[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc1 1872776617 TUYKQGDSTWKMJT-MBSDFSHPSA-N 432.589 6.701 30 10 IKEE COc1cc(-c2csc([C@@H](C#N)C(=O)C(Cl)(Cl)Cl)n2)c(OC)cc1Cl 1872783337 WYTJSBVFVVPTKT-QMMMGPOBSA-N 440.135 5.027 30 10 IKEE Cc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1 1872785349 LBXZRHJTZZXRKF-QHCPKHFHSA-N 446.616 6.760 30 10 IKEE COc1cc(OC)cc(C(=O)[C@@H](C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)c1 1872786056 COFQSMQXDCKNPH-GOSISDBHSA-N 442.924 5.288 30 10 IKEE CCc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc1 1872786231 FNUDUQPJRXFIMJ-QFIPXVFZSA-N 432.589 6.333 30 10 IKEE COC(=O)c1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1 1872789729 SKQAXFFPOXEKGT-GBXSZLQWSA-N 428.922 5.201 30 10 IKEE CCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1/N=C/c1cccs1 1874192598 ISXFHDOHKPWQAW-LPYMAVHISA-N 435.018 5.616 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1sccc1C 1874224390 IEGXCXMPTPRIMW-XQNSMLJCSA-N 426.611 5.382 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCCc2ccccc2)n1/N=C/c1cccn1C 1874300907 YQMNJJVPDRBJBK-YZSQISJMSA-N 445.592 5.029 30 10 IKEE COc1ccc(/C=N/n2c(Cc3ccc(OC)cc3)nnc2SCc2ccccc2)cc1 1874349502 OTZBMQCDXZIPJS-YZSQISJMSA-N 444.560 5.061 30 10 IKEE Fc1ccc(CSc2nnc(Cc3ccccc3F)n2/N=C/c2ccccc2F)cc1 1874373770 QJFZKKOUEBVRFU-MZJWZYIUSA-N 438.478 5.461 30 10 IKEE COc1cc(/C=N/n2c(Cc3ccccc3)nnc2SCc2cccc(C)c2)ccc1O 1874415747 GGVHVQMNIFZXRW-WGOQTCKBSA-N 444.560 5.066 30 10 IKEE CCOc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccc(F)cc2)cc1 1874437152 MSCGZRBPVWVSOM-MFKUBSTISA-N 426.561 5.579 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3ccccc3Cl)nnc2[C@H]2CCCO2)c1 1874445371 CQAFWYWJTIRQIR-LSCMLXDISA-N 442.972 5.356 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2C2CCCC2)cc1 1874455872 OEBBJMZXAIPFBJ-WGOQTCKBSA-N 434.609 6.126 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2ccc(C)cc2)nnc1C(F)(F)F 1874459052 UVTBAGYJNNLBHI-DHRITJCHSA-N 434.487 5.569 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccccc1Cl 1874485333 PFVRGBALUBFDHK-CVKSISIWSA-N 434.996 6.557 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2ccc(Cl)cc2)cc1C 1874510376 POGWNTXUPXLLHN-WYMPLXKRSA-N 441.988 5.285 30 10 IKEE CCOc1cc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C(C)C)ccc1O 1874515647 JLUIAJDGWYFPEV-FSJBWODESA-N 430.961 5.334 30 10 IKEE O=[N+]([O-])c1ccccc1/C=N/n1c(SCc2c(F)cccc2Cl)nnc1C1CC1 1874522953 SDLGHEIMFDPETL-LSHDLFTRSA-N 431.880 5.031 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(C)nnc1SCc1c(F)cccc1Cl 1874533984 LOODYEFYSLMTHQ-BRJLIKDPSA-N 440.931 5.715 30 10 IKEE COc1cccc(C(=O)/C=C/c2c(OCC(=O)Nc3ccccc3)ccc3ccccc23)c1 1874572324 HNMMOJRWCYYTDM-FOCLMDBBSA-N 437.495 5.762 30 10 IKEE C=C(C)COc1c(/C=C/C(=O)c2ccc(CCCC)cc2)cc(Br)cc1OC 1874573797 FPOVKYLQFMDSLF-OUKQBFOZSA-N 443.381 6.651 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCc2ccc(F)cc2)cc1 1874575848 JVBFMYGULLQFKJ-KPKJPENVSA-N 426.871 5.971 30 10 IKEE Cc1cccc(COc2ccc3ccccc3c2/C=C/C(=O)c2ccc3c(c2)OCCO3)c1 1874582068 UMOPMCPIPVDNHY-VAWYXSNFSA-N 436.507 6.395 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)OC)cc1 1874584326 ITERSBWJVDJTCL-GXDHUFHOSA-N 444.955 6.137 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccccc1OCC(=O)Nc1ccc(C)cc1C 1874586039 SISIUZLVEQWBAY-ACCUITESSA-N 443.543 5.842 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2cccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)c2)c1 1874593158 VROHYUSJEJQLFH-VAWYXSNFSA-N 430.460 5.125 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(Cl)c1OCc1ccccc1C 1874609497 USAGOGWKLFLMEE-NTEUORMPSA-N 436.935 6.531 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OCC(=O)OCC(C)C)c(Cl)c1 1874635309 LBGVOSOGGCSFKT-DHZHZOJOSA-N 442.983 6.420 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OCC(=O)OCC(C)C 1874638404 YCAIQKIDSOKYIV-XBXARRHUSA-N 437.319 5.476 30 10 IKEE CCOc1c(Br)cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc1OC 1874638799 SIDZCHHCRZYSHF-PKNBQFBNSA-N 441.321 5.914 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCCC 1874663604 QYNHGEKQHNHAIG-XMMPIXPASA-N 427.633 5.642 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1OC(=O)c1ccc(F)cc1F 1874693766 UZKBQPAZHLZGGK-WUXMJOGZSA-N 448.465 5.968 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3cccc(C)c3C)c2)cc1 1874695675 NKZKQNYEVMMOPS-OBGWFSINSA-N 442.555 6.527 30 10 IKEE CCCc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3cc(C)ccc3C)c2)cc1 1874703410 OEXKCHJPJLAUSG-DTQAZKPQSA-N 428.528 6.136 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OC(=O)c1cc(Cl)ccc1Cl 1874709372 CLBWGWGBPYJRMZ-WTDSWWLTSA-N 445.273 6.256 30 10 IKEE COc1cccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc4ccccc4c3)cc2)c1 1875096562 UELUDTXDGWTOCA-LFIBNONCSA-N 438.479 5.729 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)c(C)c3)c(OC)c2)cc1C 1875109095 VWVHMTYKOXEJIT-YRNVUSSQSA-N 430.500 5.744 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1 1875114238 GAGKDZADYBRPII-RVDMUPIBSA-N 435.317 5.883 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)c1cccc(C)c1 1875120172 FWSRFBSQUJRFFE-RMKNXTFCSA-N 442.845 6.051 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc([N+](=O)[O-])c1OC(=O)c1ccc(C)c(C)c1 1875127154 QNGBHINZJIXDJM-ACCUITESSA-N 445.471 5.726 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1cccc(C)c1 1875150626 XBJVQFVEYLEEBL-OQLLNIDSSA-N 428.528 6.416 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2Cl)cc1 1875155630 MHYTWCVSJBHCCC-VIZOYTHASA-N 432.947 7.141 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)c1ccc(F)cc1F 1875157692 KPFSURAEPOJFLP-XNWCZRBMSA-N 446.808 5.881 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)C3CCC3)c(Cl)c2)c1 1875172394 SBIJMIHLUMOBOK-DHZHZOJOSA-N 428.912 5.739 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 1875179343 ZMASSGUMOHKTBS-IZZDOVSWSA-N 445.471 5.644 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)[C@H](C)Oc3cccc4ccccc34)cc21 1891251733 WPIIIBFFRIOYGI-SFHVURJKSA-N 444.531 5.183 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](N)c1c(Br)cccc1Br 1937850574 SKIPLRVGFGWTDC-DZGCQCFKSA-N 448.199 5.071 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)C1=CCC=CC1 1949760149 YCEQKDCFQSDSTR-RPWUZVMVSA-N 426.601 5.297 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@H](C#N)c1nc(Br)cs1 1950107965 QIHZXVOIFDILLP-GFCCVEGCSA-N 428.739 5.565 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@](C)(C#N)[C@@]1(C)CCN1C(=O)OC(C)(C)C 1953199232 NVEJDGSLYUBSGP-DNQXCXABSA-N 429.561 5.105 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1991919028 GAFDSKRUZMXPBQ-ZWKOTPCHSA-N 435.952 5.373 30 10 IKEE CC[C@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2014648237 TXFPUIYZFNWSPN-JPYJTQIMSA-N 433.524 5.249 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C12CCC2 2015373890 TYWVSAFIHOYJHB-HSZRJFAPSA-N 431.508 5.003 30 10 IKEE CC[C@](C)(CN(Cc1ccccc1)C(=O)OC(C)(C)C)Oc1c(N)ccc(F)c1C#N 2021713712 PZZVGCPIIKAVOU-XMMPIXPASA-N 427.520 5.264 30 10 IKEE C=CCCCCCC[C@H](NCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2026015765 WLXKEJWXAPATMD-OEMFJLHTSA-N 432.649 5.990 30 10 IKEE CC(C)(C)OC(=O)NCC[C@@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 2037234007 WOESQBNAPSOEOC-BXKMTCNYSA-N 447.551 5.544 30 10 IKEE CC(C)(C)OC(=O)NCC[C@@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 2037234010 WOESQBNAPSOEOC-XDHUDOTRSA-N 447.551 5.544 30 10 IKEE C=CCC[C@@H](C)[C@@H](NCCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2040523450 VSGWRZMPWTYNMD-ISKFKSNPSA-N 443.676 5.516 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)Cc2cc(Br)ccc2Cl)C1 2062969633 SELCIHNWHMIBCF-UHFFFAOYSA-N 428.754 5.075 30 10 IKEE N#Cc1ccc(Br)cc1Nc1ccc(Br)c(Br)c1 2065992228 GHENSCAMIUBDOC-UHFFFAOYSA-N 430.925 5.589 30 10 IKEE N#C[C@@H](NC[C@@H]1CCCO1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071261504 VTAPLYRONPBAEP-LOSJGSFVSA-N 428.532 5.178 30 10 IKEE N#Cc1c(C2CCCC2)nn(Cc2ccc(Br)cc2F)c1Br 2080300167 IDWCBOWBLXWSGI-UHFFFAOYSA-N 427.115 5.125 30 10 IKEE CCCCCCCCCC[C@H](NC)c1sc(Br)cc1Br 2164494965 ZHOIDJZWJUEXFI-AWEZNQCLSA-N 425.274 7.064 30 10 IKEE CCCC#C[C@H](NCCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2213316846 VZVBKZDSCVBGAC-OZXSUGGESA-N 428.617 5.002 30 10 IKEE C=C(Cl)C[C@H](NCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2221688294 KWNVWJDTJKFNQG-DLBZAZTESA-N 431.802 5.006 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)cc(F)cc1Br 2233953909 CXGVIXAETULRLN-WMZOPIPTSA-N 447.364 5.628 30 10 IKEE C=CCCC1(C(=O)c2ccc(Br)c(Cl)c2F)CN(C(=O)OC(C)(C)C)C1 2266277348 UBFDLLLLHWCNDW-UHFFFAOYSA-N 446.744 5.628 30 10 IKEE Cc1cc(C=C2SC(=Nc3ccc(F)cc3)NC2=O)c(C)n1-c1cccc2ccccc12 2293998853 IAHJEHCUERBSJE-UHFFFAOYSA-N 441.531 6.278 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H](C(C)(C)C(=O)C#Cc2ccc(Br)cc2)C1 2296226625 HFMKKAPWSYYBHZ-QGZVFWFLSA-N 434.374 5.043 30 10 IKEE CC(=Nc1cc(C)ccc1O)c1c(C(F)(F)F)nn(-c2nc3ccccc3s2)c1O 2297747874 XJPRVQPPZQZMHY-UHFFFAOYSA-N 432.427 5.361 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2308983861 KLQLDNPXNFYFJA-GJFMVHJQSA-N 445.535 5.153 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC[C@](C#N)(N(C(=O)OC(C)(C)C)C3CCCCCC3)C2)C1 2317529959 WXZBINGCIJBFGP-VWLOTQADSA-N 447.620 5.630 30 10 IKEE COc1c(Cl)cc(C=Nn2c(C)nnc2SCc2ccccc2F)cc1Cl 2318574247 IJBSIWQUXLASAL-UHFFFAOYSA-N 425.316 5.216 30 10 IKEE COc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCc2ccc(C)cc2)C4)cc1 2322220573 KHRFSQCNPQLJCU-UHFFFAOYSA-N 441.527 5.323 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2c(OCC(=O)OCC(C)C)ccc3ccccc23)c1 2322659853 XXHCKJABSFRDBU-UHFFFAOYSA-N 448.515 5.331 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccccc2Cl)c(OC)c1 2322904470 NZTXTDCJDCSVAU-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OC(=O)c3cccc(Br)c3)c2C)C1=O 2322937509 MCHPDUJWEWJFRG-UHFFFAOYSA-N 449.300 5.901 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccc(F)cc2)cc1Cl 2322974860 XTGDIZZFZJBHIT-UHFFFAOYSA-N 439.870 5.401 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)ccc1OCC(=O)Nc1ccccc1F 2323481602 CHMCFACKJOAJKE-UHFFFAOYSA-N 447.506 5.700 30 10 IKEE CCc1ccccc1NC(=O)COc1c(Cl)cc(C=CC(=O)c2ccccc2)cc1OC 2323805510 NIMRRNYHLCDDRQ-UHFFFAOYSA-N 449.934 5.825 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OCc1c(F)cccc1Cl 2323959339 HLQHOOXZLQWAGQ-UHFFFAOYSA-N 438.926 6.970 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OCC(=O)Nc1ccc(C)c(C)c1 2323960202 HCIMFJJSPIJPTP-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3F)cc2)cc1 2324055405 MOKISLLNWNJRPC-UHFFFAOYSA-N 431.507 6.037 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 2324196817 KBUFIXGLZLHYJK-UHFFFAOYSA-N 447.506 5.755 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)C(=Cc3ccccc3)c3ccccc3)n2)cc1C 2324756655 ZRADSQRSEMASFD-RUZDIDTESA-N 434.564 6.844 30 10 IKEE N#C[C@H](C(=O)C=Cc1ccc(Cl)cc1Cl)c1nc(-c2ccc(Cl)s2)cs1 2324817241 DFPCAPGGEGNXIE-GFCCVEGCSA-N 439.776 6.721 30 10 IKEE CCOc1ccccc1NC(=O)COc1ccc2c(c1)OC(=Cc1cccc(C)c1)C2=O 2324895834 IRBZFSGXKAICEE-UHFFFAOYSA-N 429.472 5.027 30 10 IKEE CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1)OC(=Cc1cccc(Br)c1)C2=O 2325079294 XNEUOGCKGYQBKC-GOSISDBHSA-N 445.309 5.176 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCc4c(Cl)ccc(Cl)c4Cl)ccc3C2=O)cc1 2325168586 IIGWBCVCIXVYRV-UHFFFAOYSA-N 445.729 7.150 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OC(c4ccccc4)c4ccccc4)c3C)C2=O)cc1 2325216619 NWYBVTQOJMCQEJ-UHFFFAOYSA-N 446.546 7.342 30 10 IKEE COc1ccc(C)cc1NC(=O)CCOc1ccc2c(c1)OC(=Cc1ccc(C)cc1)C2=O 2325471084 GLMKBESYADLSRR-UHFFFAOYSA-N 443.499 5.336 30 10 IKEE CCn1cc(C=C2Oc3cc(OC[C@H]4CCCO4)cc(C)c3C2=O)c2cc(OC)ccc21 2325690347 RTWWONGVQIRXKY-LJQANCHMSA-N 433.504 5.152 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(ccc(OCc4cccc(C)c4)c3C)C2=O)cc1 2325721130 ROGWXHHXRWOOGQ-UHFFFAOYSA-N 427.544 6.345 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OC(=O)COc1ccc(C)c(C)c1 2325735349 LRFKBXIUIUFHIL-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE Cc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(Cl)c(Cl)c3)c2)cc1C 2325737298 ZHAADACNXRPRPJ-UHFFFAOYSA-N 425.311 6.726 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)CCCOc3ccccc3C)c2)cc1F 2325748605 CTCUXRZGHKUUCA-UHFFFAOYSA-N 448.490 5.803 30 10 IKEE Clc1cc(C=Nn2cnnc2SCc2ccccc2)ccc1OCc1ccccc1 2326208293 RZLQZBCPRCNGLO-UHFFFAOYSA-N 434.952 5.685 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1cc(Cl)c(O)c(Cl)c1 2326303389 RCNPUHPXTRAYBT-UHFFFAOYSA-N 435.380 5.726 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1c(O)ccc2ccccc12 2326603364 INQHLOYUOPTDCT-UHFFFAOYSA-N 444.604 6.271 30 10 IKEE Cc1ccc(OCCCc2nnc(SCc3ccccc3)n2N=Cc2cccn2C)cc1 2327191079 LQKSQFHFDQOXQX-UHFFFAOYSA-N 445.592 5.111 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SC)nnc2C2CCC(CCCC)CC2)cc1 2328106669 QYKANCJYFPRURP-UHFFFAOYSA-N 442.673 6.915 30 10 IKEE Cc1cccc(OCc2nnc(SCc3cccc(F)c3)n2N=Cc2ccccc2)c1C 2328833146 LIHSQNFEQGGHAB-UHFFFAOYSA-N 446.551 5.788 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCOc3ccccc3)n2N=Cc2ccncc2)c1 2329195377 NGSWRJDLTNNZSS-UHFFFAOYSA-N 443.576 5.086 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2cccc(C)c2)cc1 2329277252 KUUJXDHIUSGXRX-UHFFFAOYSA-N 428.561 5.360 30 10 IKEE CCCSc1nnc(Cc2ccc(OC)cc2)n1N=Cc1ccc(Cl)c(Cl)c1 2329288313 OGZGRGUIOLXYMK-UHFFFAOYSA-N 435.380 5.569 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2N=Cc2cccc(O)c2)cc1C 2329398045 DSWSQAGUYGHKDE-UHFFFAOYSA-N 446.551 5.505 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc3c(OC(=O)C=Cc4ccc(F)cc4)cccc23)c1 2329745798 QNTLBNYIIXDTEH-UHFFFAOYSA-N 436.442 5.722 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@H](C)c3ccccc3)n2N=Cc2sccc2C)c1 2330131284 FCTAIXKDURFSFP-HXUWFJFHSA-N 446.645 6.591 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)cc3)c(Cl)c2)c1 2330778291 RVABIPKQRCSPLS-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)Cc3ccccc3)c(OC)c2)cc1 2331193653 XTKCYFHISKMYJJ-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE CSCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1Cl 2331242506 JFSSYPFETQFSAE-UHFFFAOYSA-N 443.779 6.592 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)Oc3ccc(Cl)cc3)cc2)c1 2331315900 FRZNLLQAHREJHX-LJQANCHMSA-N 434.919 6.226 30 10 IKEE CCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1OC 2331421441 QCOHKCHFJKGWBQ-UHFFFAOYSA-N 445.353 5.967 30 10 IKEE O=C(Cc1ccc(Cl)cc1)Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1 2331468618 DUTTVARRQKPHJT-UHFFFAOYSA-N 426.899 6.537 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc3ccccc23)cc(Cl)c1OC(=O)CC(C)C 2331474851 PFRHVBFSZLVWPR-UHFFFAOYSA-N 436.935 6.740 30 10 IKEE CCCC(=O)Oc1c(OC)cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC 2331574947 CVNYNBOPEMOUTJ-UHFFFAOYSA-N 440.536 5.746 30 10 IKEE CC(C)c1nnc(SCCc2ccccc2)n1N=Cc1cc(Br)ccc1O 2331703516 QLQJKUJPQBGFME-UHFFFAOYSA-N 445.386 5.087 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(OC)c3ccccc23)cc1OC 2331864302 NZBVNPDMZLJFDM-UHFFFAOYSA-N 438.907 6.112 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)cc(Cl)c1OC(=O)CC 2331869374 PKWXEWMHJMEWCT-UHFFFAOYSA-N 438.907 6.112 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(F)cc2F)cc1 2331875133 UVRIBNWOCSRUAW-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE CC[C@H](CCCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339595876 LWZYALHJMCGVPB-LJQANCHMSA-N 446.397 5.189 30 10 IKEE CCCCCCCCOc1ccc(/C=C2\N=C(/C=C/c3ccc(Cl)cc3)OC2=O)cc1 2942437 NJLKJPDFTKJZSY-AGRBSZBHSA-N 437.967 7.089 30 10 IKEE CC(C)COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(OC(C)C)cc2)cc1 20881832 TYZDCDMEUGLVJL-ZJSXRUAMSA-N 447.575 5.513 30 10 IKEE COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc3ccccc23)c1 21255635 UXOZTIICNQGBSD-JRPXNJEYSA-N 446.550 6.828 30 10 IKEE Cc1ccccc1/N=C1\NC(=S)N(c2cccc(Cl)c2)C12CCC(C(C)(C)C)CC2 27471917 KMKUMTGWZWSLBA-UHFFFAOYSA-N 440.056 7.048 30 10 IKEE CCCn1cc(CN/C(=N/C(=O)c2cc(C)cc(C)c2)Nc2ccc(C(C)C)cc2)c(C)n1 32972921 KMQANNGWFWPNJO-UHFFFAOYSA-N 445.611 5.740 30 10 IKEE C=C(C)C(=O)NCCCc1nc2ccccc2n1CCCCOc1ccccc1Cl 35144725 IWMXWGBYTQTTND-UHFFFAOYSA-N 425.960 5.174 30 10 IKEE O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)Oc2ccc(Cl)cc21 39842461 STMRFKMMXAADFR-UUYOSTAYSA-N 443.846 5.717 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\Oc3cc(C)c(C)cc3C2=O)cc1F 39842706 SVMZIFANEBYPCP-QFEZKATASA-N 440.474 5.920 30 10 IKEE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/Nc1ccc(F)cc1)CCC2 40823927 ZPQDUNJKMXPFQK-ZTKZIYFRSA-N 449.482 5.309 30 10 IKEE CCc1ccc(OCCCC(=O)Nc2sc(=S)c3c(c2C#N)CC[C@H](C)C3)cc1 41015582 PYECPTZGWONHDO-HNNXBMFYSA-N 426.607 5.834 30 10 IKEE COc1cccc(C/N=C(\NCC23CC4CC(CC(C4)C2)C3)Nc2ccc(C(=O)O)cc2)c1 65304885 PUFCJBWIXGSCTL-UHFFFAOYSA-N 447.579 5.168 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)CNc1ccc(OC(C)C)cc1 100079726 WUMOOVZUBITQGF-UHFFFAOYSA-N 432.693 7.483 30 10 IKEE C=CCOc1cccc(NCC(=O)NCCCCCCCCCCCCCCCC)c1 100087135 HEEFDLZQOXOTGY-UHFFFAOYSA-N 430.677 7.261 30 10 IKEE CCCCCCCCCCCCCC(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 100441996 PAAXFOWGVKDLCB-QFIPXVFZSA-N 430.633 6.235 30 10 IKEE CN(C)c1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 102601955 YDXOPOBKOOSCBJ-RKKARLDVSA-N 432.907 5.032 30 10 IKEE CCCCCCCCCN1C(=O)COc2ccc(-c3csc(-c4ccccn4)n3)cc21 103752870 NJBROGFPXFFDBO-UHFFFAOYSA-N 435.593 6.348 30 10 IKEE CCCCCCCCN(CCCCCCCC)C(=O)COc1ccc2ccccc2c1 104777764 KHBMYNXLVMPDKQ-UHFFFAOYSA-N 425.657 7.768 30 10 IKEE CCOC(=O)c1ccc(N2Cc3ccccc3/C2=N/C(=O)Nc2cccc(Cl)c2)cc1 105916400 SEJMMIXXQRFJRX-QYQHSDTDSA-N 433.895 5.516 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2cc(C)ccc2C)cc1 169924682 KOPYVRYROZCNHT-DEOSSOPVSA-N 445.490 5.542 30 10 IKEE CCCN1C(=S)N[C@H](c2ccc(OCc3cccc(Cl)c3)cc2)C2=C1CCCC2=O 169930114 WBPLHQAPPRVHDA-HSZRJFAPSA-N 440.996 5.567 30 10 IKEE CCN1C(=S)N[C@H](c2cccc(OCc3c(Cl)cccc3Cl)c2)C(C(C)=O)=C1C 169933423 NMNOSPRCADINKT-OAQYLSRUSA-N 449.403 5.687 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccc(O)cc2)c(C)c1 169960004 QCKPAPVXUWFTGE-XMMPIXPASA-N 443.499 5.109 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2cccs2)cc1 169982974 YYCXPPFWVKFVKI-OAQYLSRUSA-N 448.500 5.563 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@H]2c2cccs2)ccc1F 169986248 NMAPMFMFRJHTGO-QHCPKHFHSA-N 443.499 6.132 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccnc1 170005471 BSPFPSRMGOVGJG-HXUWFJFHSA-N 439.298 5.480 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(O)c(Cl)c1)c1cccc2ccccc12 170043964 JGSZTIWPFFGMEJ-QHCPKHFHSA-N 447.918 5.720 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2ccccc2)c1 170052212 BGBVBLCCAARMMN-HSZRJFAPSA-N 447.918 5.830 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccc(F)cc2)cc1C 170062288 QWGYFMHZCSHIJS-DEOSSOPVSA-N 440.474 5.707 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2c[nH]c3ccccc23)cc1 170075216 ALIPAEFBWMDDNF-QHCPKHFHSA-N 442.902 5.913 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCCC2)c1 170119260 VKOZFIYCIKJFGK-NRFANRHFSA-N 425.912 5.260 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccc(C)c2)cc1C 170141803 MKHSEDRKCKYNNO-RUZDIDTESA-N 441.527 5.875 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc(C)c2)c1 170145431 LOQGLPZLPPUUFN-JOCHJYFZSA-N 439.939 5.568 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC)c2)[C@@H]1c1cccc(OC(C)C)c1 170153004 XSYHTGIOUCZISY-QHCPKHFHSA-N 437.536 5.251 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccccn2)c1 170172853 WVOMAYKNWUXUBQ-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccncc1 170204651 HSMWBXPHMHMAQX-NRFANRHFSA-N 448.906 5.143 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2)c1 170223325 IZVDRRPZGWKJEO-HSZRJFAPSA-N 431.463 5.397 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C(C)(C)C)ccc3C)[C@@H]2c2ccccc2)c1 170224115 URXAPWLOSLOWQG-VWLOTQADSA-N 439.555 6.384 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2ccccc2)c1 170227840 YFMJYXHVUJBCRJ-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1c[nH]c2ccccc12 170255926 RXFQJTQRWXQFSI-QHCPKHFHSA-N 432.520 5.253 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)=C(O)C(=O)N1c1ccc(F)cc1 170271285 OQKRHYKPBBNYEO-GYCJOSAFSA-N 443.474 5.240 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccco1 170281839 GECNXHJKLIMFCL-LJQANCHMSA-N 445.805 5.003 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2sccc2C)cc1 170317551 WZCJZUISBOJURB-FQEVSTJZSA-N 425.550 5.366 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(OC(C)=O)cc1 170320285 XNODENIQKRNHQE-DEOSSOPVSA-N 443.499 5.144 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cccc(OC)c2)cc1 170451927 RRELMMAWUSRYNB-QFIPXVFZSA-N 436.552 5.057 30 10 IKEE Cc1ccc(CC(=O)/C=C/c2ccc(NC(=O)OC(C)(C)C)cc2)cc1Br 406123928 VMDBVESUAFEYNP-FMIVXFBMSA-N 430.342 5.930 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccco2)cc1OC 526515312 HUXUFXMRELAYLK-QHCPKHFHSA-N 430.460 5.006 30 10 IKEE CCOc1ccc([C@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1OC 526609268 UACUNLRMFZVWFE-VWLOTQADSA-N 440.499 5.331 30 10 IKEE CC(C)COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(F)c2)c1 526743589 BDBCXIHFVZVQLT-XMMPIXPASA-N 445.490 5.643 30 10 IKEE Cc1cc(C)cc(CSc2nncn2/N=C\c2ccccc2COc2ccccc2)c1 526808667 NLWPHTAXMOMTOI-DICXZTSXSA-N 428.561 5.648 30 10 IKEE CCCOc1ccc(/C=N\n2c(CC)nnc2SCc2c(Cl)cccc2Cl)cc1 526813908 GOGVTJRJFBLJCU-CFRMEGHHSA-N 449.407 6.111 30 10 IKEE C(=N\n1c(CCc2ccccc2)nnc1SCc1cccc2ccccc12)\c1cccnc1 526821662 DVTZXEHLWOGDJN-CEUNXORHSA-N 449.583 5.786 30 10 IKEE CC(C)(C)c1ccc(NC(=O)N[C@@H]2CCN[C@H](C(=O)/C=C/c3ccc(Cl)cc3)C2)cc1 586092075 VDPFAESXDIXKHV-DTRWEXCLSA-N 439.987 5.162 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]([C@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccccc2)C1 699649003 YBYIOVBREYOPPH-UUOWRZLLSA-N 429.561 5.357 30 10 IKEE COc1ccc(N=Cc2cc(-c3ccccc3)n(-c3ccc(C)cc3)c2-c2ccccc2)cc1 1083920250 ZVHZHXLMIGQCGU-UHFFFAOYSA-N 442.562 7.879 30 10 IKEE C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@H]2C(=O)/C=C/c1ccc(Cl)cc1 1088690232 MCQDPLIJIWZQHR-YNKHZWNNSA-N 439.039 6.862 30 10 IKEE C=C(C)COC(=O)Nc1c(Cl)c(Cl)c(Cl)c(NC(=O)OCC(=C)C)c1Cl 1615949501 YBVGHAGTXJAYHJ-UHFFFAOYSA-N 442.126 6.549 30 10 IKEE Cc1c(N=Nc2ccccc2C(F)(F)F)c(O)n(CCc2ccccc2)c(=O)c1C#N 1772740586 BHZUGXDUTAMQCX-UHFFFAOYSA-N 426.398 5.411 30 10 IKEE N#Cc1ccc(COc2cccnc2NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 1858753838 SFIIMUIGPKWPGA-UHFFFAOYSA-N 435.483 5.364 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1C 1861038828 GBSDJONFYSKXQO-VWLOTQADSA-N 433.596 5.294 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)c1ccc(Cl)s1)c1ccccc1 1861741828 RCYKFNAEHKFZOI-NRFANRHFSA-N 435.033 6.130 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccccc1)c1ccc(Cl)cc1Cl 1862379912 OIWKXDHCQFMWMQ-NRFANRHFSA-N 444.358 6.295 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2cccc(O)c2)c1 1862489992 LNWLKWYMSYZRFH-DEOSSOPVSA-N 431.532 5.478 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cccc(OC)c1 1862501951 OGVXNBAGTSSZFI-QFIPXVFZSA-N 425.500 5.301 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccc3ccccc23)c1 1862562079 XGQPBNZNFOLSCN-QHCPKHFHSA-N 440.524 5.262 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862619508 XAAFKFXRWNRHEY-NRFANRHFSA-N 436.508 5.271 30 10 IKEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1cccc2ccccc12 1862620078 KDIHIEUIXROELF-BXKMTCNYSA-N 443.543 5.096 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C2CCCC2)cc1 1862679845 OLROICUZTXEGAP-QHCPKHFHSA-N 437.511 5.526 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc(OCc2ccccc2)c1 1862685345 UPJUAFVAEVDXAT-QHCPKHFHSA-N 431.463 5.003 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2cccc(Cl)c2)c1 1862700316 DPQIATZPEJMUGE-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)cc1F 1862751721 OYJXJGABRQQMGU-HXUWFJFHSA-N 444.434 5.032 30 10 IKEE CC(C)CCN1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863287578 BQKFZEFZZVOFSF-UHFFFAOYSA-N 428.319 5.103 30 10 IKEE Cc1cc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(Cc3ccccc3Cl)C2=O)ccc1F 1863461126 ULFNAXAYEIAWGZ-UHFFFAOYSA-N 445.881 5.051 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2cc(C)ccc2C)=C(c2ccc(C)c(C)c2)C1=O 1863607973 QLGGLWTXODNNTG-UHFFFAOYSA-N 446.635 6.150 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N1[C@H](C(=O)OC)C[C@H]2CCC[C@H]21 1866342544 OSAWQOKRPHZYTO-SDHSZQHLSA-N 435.693 7.191 30 10 IKEE COc1cn(Cc2ccc(Cl)cc2)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870297745 UUPJRDKYGJLTGP-UHFFFAOYSA-N 439.968 5.043 30 10 IKEE C=CCn1cc(OCc2ccccc2Cl)c(=O)cc1CN(CCCC)CCCCCC 1870339946 MHPRUOIVWPPUCM-UHFFFAOYSA-N 445.047 6.449 30 10 IKEE C=CCOc1cn(CC)c(CNc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1=O 1870809109 ODQOTOHPAKQUJC-UHFFFAOYSA-N 431.561 5.630 30 10 IKEE C=CCOc1cn(Cc2cccc(C)c2)c(CNc2ccc(N3CCCCC3)cc2)cc1=O 1870809730 SBVOQMMGLVEQBU-UHFFFAOYSA-N 443.591 5.372 30 10 IKEE CCCCCCCCn1cc(OCCC)c(=O)cc1CNc1ccc(OC)c(OC)c1 1871104975 ABBMTBBDBPJCRU-UHFFFAOYSA-N 430.589 5.627 30 10 IKEE C=CCn1cc(OCCOc2cccc(C)c2)c(=O)cc1CNc1ccc(C)c(Cl)c1 1871209842 PAQXHVGQJREQNR-UHFFFAOYSA-N 438.955 5.374 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)cc2)C3=O)c(OC)c1 1871386734 KIFXTTPJLUPVOE-QRVIBDJDSA-N 430.456 5.156 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)c1 1871389311 PEWMTYRQJPWCQO-UUYOSTAYSA-N 446.430 5.285 30 10 IKEE Cc1cc(O)c(CN2CCCc3ccccc32)c2c1C(=O)/C(=C/c1ccc(N(C)C)cc1)O2 1871395177 JHQSIIKLXTYSSM-XYGWBWBKSA-N 440.543 5.336 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4c(C)cc(C)cc4C)ccc3C2=O)cc1 1871402808 NCYZTPLTYVNSIW-PUDRWSQFSA-N 441.527 5.942 30 10 IKEE Cc1cc(C)c(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2)C3=O)c(C)c1 1871402914 PJDZGMWNYCKMRJ-DEYGKZMTSA-N 441.527 5.942 30 10 IKEE CC(C)=C1Oc2c(ccc(O[C@H](C)C(=O)Nc3ccc(Br)cc3)c2C)C1=O 1871409233 JELJLKIEOMUBFO-CYBMUJFWSA-N 430.298 5.033 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCC(=O)N[C@@H](C)c4ccccc4)cc(C)c3C2=O)c1 1871424947 ZPQXHNQMEWTXHO-QCYAWUEASA-N 427.500 5.176 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(O[C@H](C)C(=O)Nc3ccc(C#N)cc3)cc(C)c2C1=O 1871436270 SRDWGQOCBINPFK-YQODDJSKSA-N 444.512 5.259 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O 1871457551 MHSFEHHQBHVKII-YVNNLAQVSA-N 437.854 5.421 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 1872411291 NDHBVSGYNNXOEQ-OAQYLSRUSA-N 434.989 5.023 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccccc1CC)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872467390 CZLSBUZYOBGBLE-DEOSSOPVSA-N 442.625 5.096 30 10 IKEE N#C[C@H](C(=O)c1ccccc1C(=O)c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 1872766188 DRMBXVZIKDLBQI-OAQYLSRUSA-N 442.927 6.185 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)c(C)c1 1872769179 LOEJSRYGBMAYRF-OAQYLSRUSA-N 445.588 5.331 30 10 IKEE Cc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)c(C(C)(C)C)c1 1872776824 YSEABHKRFAFHBM-OAQYLSRUSA-N 446.616 6.795 30 10 IKEE Cc1ccccc1OCCCC(=O)[C@H](C#N)c1nc(-c2c(C)c(C)cc(C)c2C)cs1 1872780327 FTZSENTVWWXDFZ-NRFANRHFSA-N 432.589 6.388 30 10 IKEE COc1cc(OC)c(-c2csc([C@H](C#N)C(=O)Cc3ccccc3F)n2)cc1Cl 1872782101 DCHWVVHIPQYHIM-CQSZACIVSA-N 430.888 5.039 30 10 IKEE C=CCn1c(C(=O)N(CCCC)CCCCCC)cc2c(N(CCC)CCC)ncnc21 1873562150 PDYJTTIGFKJKHC-UHFFFAOYSA-N 441.664 6.066 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)c(Cl)c2)cc2c(N(CCC)CCC)ncnc21 1873665280 BTDDVWGDXXSHHC-UHFFFAOYSA-N 425.964 5.458 30 10 IKEE N#Cc1ccccc1NC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 1873868573 IMSSYQLDERZNNR-DEOSSOPVSA-N 427.548 5.382 30 10 IKEE CCSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1ccccc1C 1874197074 QLAOHXCABVQOMD-NLRVBDNBSA-N 430.577 5.746 30 10 IKEE CCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccc(C(=O)O)cc1 1874244822 OUGUVXNLKXVZIX-MFKUBSTISA-N 438.597 5.120 30 10 IKEE C=CCSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccccc1OCCC 1874267560 DKBBRXJCNBRBGU-BUVRLJJBSA-N 442.972 5.460 30 10 IKEE CCCSc1nnc(COc2c(C)cccc2C)n1/N=C/c1ccc(Cl)c(Cl)c1 1874300672 XUURBCIBCVHABZ-WYMPLXKRSA-N 449.407 6.165 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2sccc2C)cc1C 1874358600 PYOUJWKXDLBRSX-MFKUBSTISA-N 432.618 6.030 30 10 IKEE Cc1cccc(CSc2nnc(C(F)(F)F)n2/N=C/c2ccccc2OC(C)C)c1 1874459482 PPHVJMRTTKKGKL-BRJLIKDPSA-N 434.487 5.567 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2-c2ccco2)cc1 1874464636 UOXLUQWLYXTPIM-WGOQTCKBSA-N 449.555 5.698 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2ccccc2Cl)nnc1C1CCC1 1874496073 UICJFHRQXGLFMX-MFKUBSTISA-N 441.000 6.162 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2C2CC2)cc1OCC 1874517067 RDWAKMAYWQORAS-MFKUBSTISA-N 436.581 5.436 30 10 IKEE Sc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874570602 ZMEKTYZJRPMDAI-AWQFTUOYSA-N 442.169 5.109 30 10 IKEE COC(=O)c1ccc(COc2c(/C=C/C(=O)c3ccc(Cl)cc3)cccc2OC)o1 1874578280 FTLLWCCMQVBGBG-XYOKQWHBSA-N 426.852 5.203 30 10 IKEE COC(=O)c1ccc(COc2ccccc2/C=C/C(=O)c2ccc(Cl)c(Cl)c2)o1 1874578805 HXLHQIPZANAFFF-JXMROGBWSA-N 431.271 5.848 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccccc1OCC(=O)Nc1cc(C)ccc1C 1874585978 PNPQWCDOVXRJND-OUKQBFOZSA-N 443.543 5.842 30 10 IKEE CCCOc1c(/C=C/C(=O)c2cc(OC)c(Cl)cc2OC)cc(Cl)cc1OC 1874587398 KTMJLYXKPXPVEA-VOTSOKGWSA-N 425.308 5.704 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1OCc1cccc2ccccc12 1874593142 UPVNEHDNKBGHJL-GHRIWEEISA-N 448.562 7.202 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OCC(=O)Nc1ccccc1F 1874598468 NKEKNORZSCJKRT-UXBLZVDNSA-N 441.405 5.026 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(OC)c1OCc1ccccc1C 1874602426 LKZYHZCRNKFDEA-NTCAYCPXSA-N 438.523 6.641 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1cc(C)ccc1C 1874602535 RESFYVZLFIZVTD-ZRDIBKRKSA-N 431.488 6.085 30 10 IKEE C[C@@H](NC(=O)COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1)c1ccccc1 1874602564 SJLBFPIZCPGQPA-DILWRCETSA-N 435.523 5.992 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OCc3c(Cl)cccc3Cl)cc2)c(C)c1 1874634212 QEZJIUOXZQBORE-FMIVXFBMSA-N 425.355 7.394 30 10 IKEE C=C(C)COc1ccc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc1Br 1874634785 UABNZMSGXCBZME-FNORWQNLSA-N 435.745 6.271 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)Cc1ccc(F)c(C)c1 1874693009 IUMMWVBYROJUFB-JXMROGBWSA-N 449.434 5.095 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OC(=O)C23CC4CC(CC(C4)C2)C3)c1 1874704649 WFZKOVSURCIMLT-BQYQJAHWSA-N 430.544 6.022 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(CC)cc1 1875094582 ZGLHUWZEDJTEFP-GXDHUFHOSA-N 445.471 5.671 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3cccc(Cl)c3)cc2)cc1 1875123452 MRJJINBQZMOCFT-XNTDXEJSSA-N 434.919 6.173 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)c1ccccc1 1875126920 ZVPDQKCIDQSUHP-MDWZMJQESA-N 441.310 6.507 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1ccc(C)c(C)c1 1875157172 RDFOFUHGUHUWRQ-VGOFMYFVSA-N 428.528 6.551 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OC(C)=O)c([N+](=O)[O-])c2)cc1 1875161633 ZQCUECYXBRQXCA-RIYZIHGNSA-N 425.481 5.765 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc1OC 1875179189 CAZIXEJSHZJJTN-BQYQJAHWSA-N 437.319 5.921 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1Cl)c1ccccn1 1875189578 WQZHXYWFXTZRDS-XBXARRHUSA-N 432.690 6.157 30 10 IKEE C=C(COC(C)C)[C@@H](N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875652507 SRPOLXJPJHJQEV-VSGBNLITSA-N 447.575 5.187 30 10 IKEE Cc1ccc(Br)c(F)c1C(=O)C=Cc1ccc(NC(=O)OC(C)(C)C)cc1 1912033583 DGDIERHLJWBHIJ-UHFFFAOYSA-N 434.305 6.140 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1943924526 LQFFXEBCQNBTFK-WZONZLPQSA-N 449.617 5.605 30 10 IKEE 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6.725 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OC(=O)c1ccc(F)cc1 2331100781 GRKYUWGNAMQBMV-UHFFFAOYSA-N 426.390 5.618 30 10 IKEE FC(F)(F)c1ccc(C=Nn2c(SCc3ccccc3)nnc2-c2ccco2)cc1 2331208180 PTOPODAMFFGSOZ-UHFFFAOYSA-N 428.439 5.731 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccccc3)c([N+](=O)[O-])c2)c(C)c1 2331225201 RNQFGXFDCZEKNQ-UHFFFAOYSA-N 431.444 5.092 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1N=Cc1sccc1C 2331320567 GNSLZCIUODLPDC-UHFFFAOYSA-N 441.626 5.220 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)[C@H]1CCCO1 2331340813 SENOEWUKDJQUON-HXUWFJFHSA-N 432.875 5.167 30 10 IKEE CCSc1nnc(C(C)(C)C)n1N=Cc1c(OCc2ccccc2)ccc2ccccc12 2331389186 BNVNIOHATDEBJG-UHFFFAOYSA-N 444.604 6.302 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)COc1ccccc1CC 2331535548 UEOUJARWUHULFL-UHFFFAOYSA-N 448.490 5.667 30 10 IKEE COc1cc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3C)cc2)c(OC)cc1Cl 2331687356 UTGRURJFKRPMLA-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE CCSc1nnc(C2CC2)n1N=Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 2331738961 FHXAMHSMGHCUQG-UHFFFAOYSA-N 442.972 5.391 30 10 IKEE CCCCC(=O)Oc1c(OC)cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc1OC 2331754843 VIGZGWBMOQCFIX-UHFFFAOYSA-N 446.927 5.666 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2cc(C)c(OC)cc2C)cc1Cl 2331847629 RWQWFANTMXBUOW-UHFFFAOYSA-N 428.956 6.737 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)ccc1OC(=O)CC(C)C 2331869666 JJLZWCFIQIKZIH-UHFFFAOYSA-N 432.516 6.095 30 10 IKEE C=CCCC1([C@@H](O)c2cc(C)cc(Br)c2OC)CN(C(=O)OC(C)(C)C)C1 2365226566 WCZUFDQCPCSRBI-SFHVURJKSA-N 440.378 5.003 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1snnc1C1CCC1 2377629086 VYKCENMPMQGWLL-HNNXBMFYSA-N 449.374 5.574 30 10 IKEE COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1Cl 20882079 XYBDGAASWJXWPE-UZTOHYMASA-N 444.962 6.637 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(OC)c(Cl)c2)cc1 21219363 HLIYUXAPWSGPLX-MJGOQNOKSA-N 439.939 5.142 30 10 IKEE Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C(C)(C)C)cc2)C3)o1 21222473 PTAGWKPJONMWIU-XHCCPWGMSA-N 426.560 6.865 30 10 IKEE CCc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 21255422 OLGULQAUNUFOEN-HRFSGMKKSA-N 439.515 6.137 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccnc2)cc1OC 21259021 OSMITFMLMMZZSL-WINIVTDRSA-N 441.531 5.468 30 10 IKEE CC(C)Oc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)cc2Cl)cc1 21260691 MGNXNYCFROLECR-HNAYVOBHSA-N 444.358 5.785 30 10 IKEE CCCOc1c(Cl)cc(C(=O)c2c(C)c(C#N)c(=O)n(C3CCCC3)c2O)cc1Cl 38618001 JRUHOGHWMAEUEN-UHFFFAOYSA-N 449.334 5.176 30 10 IKEE Cc1cc2c(n1-c1ccc(Cl)cc1)CC(C)(C)C/C2=N\OC(=O)/C=C/c1ccccc1 39853237 URKHGIFXNDLXCD-XDZBLDGHSA-N 432.951 6.372 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 40079399 NNCDRLMPZPBRDX-XMMPIXPASA-N 449.591 6.150 30 10 IKEE C=CCOc1cccc([C@H]2C(C(=O)c3cccc(OCC)c3)=C(O)C(=O)N2CCCC)c1 40101063 OMWSNDOTLAEWLG-QHCPKHFHSA-N 435.520 5.029 30 10 IKEE COc1ccc(CCN2COc3c(cc4c(c3C)O/C(=C\c3cccc(C)c3)C4=O)C2)cc1 41587794 CTLPFJQZTOFHGM-QFEZKATASA-N 441.527 5.323 30 10 IKEE COc1ccc(OCc2cc(/C=C\C(=O)c3ccc(-n4ccnc4)cc3)ccc2OC)cc1 96576912 IIYXLHHZHOMYDA-DXNYSGJVSA-N 440.499 5.365 30 10 IKEE CCCCCCCOc1ccc2ccccc2c1[C@@H]1Nc2ccccc2C(=O)N1CCC 100134986 DABITAGFZBOGTO-HHHXNRCGSA-N 430.592 7.166 30 10 IKEE CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)/C1=N/Nc1ccc2ccccc2c1 100150614 FYVHQQBNYGKXPF-HPNDGRJYSA-N 425.517 5.462 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2)S/C(=N/N=C\c2ccc(F)cc2)N1Cc1ccco1 101916835 LILHSSWAMSKYEZ-QCTNQPINSA-N 439.899 5.579 30 10 IKEE CCCCCCCCCn1c(CCNC(=O)Cc2ccccc2Cl)nc2ccccc21 102143113 FFRPDCIYJJFGTN-UHFFFAOYSA-N 440.031 6.342 30 10 IKEE CCCCCCCCCCCCCCCCCCNC(=O)c1coc(C2CCNCC2)n1 102453035 XUOYIBGBTFAWCN-UHFFFAOYSA-N 447.708 7.133 30 10 IKEE C=CCN1C(=O)/C(=C\c2c(-c3ccccc3)nc3sc(CC(C)C)nn23)SC1=S 102471001 VUKCGWJSWCGQEO-FOWTUZBSSA-N 440.619 5.044 30 10 IKEE O=C(/C=C/c1ccc(Cl)cc1)/N=C1/c2ccccc2CN1c1cccc(C(F)(F)F)c1 102943156 NKMXOTFNSBUBAH-XSOZMHFHSA-N 440.852 6.366 30 10 IKEE CCCCCCCCCCC[C@H](NC)c1cc(Br)c(Br)s1 128171217 LSHILFSXDVUCNN-HNNXBMFYSA-N 439.301 7.455 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2c2cccc(C)c2)cc1 169922990 PNTRPVMBPTWQGE-XMMPIXPASA-N 443.499 5.104 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2ccc(C)cc2)cc1 169925234 WXSLFOSMHAODJP-DEOSSOPVSA-N 438.483 5.268 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccc(O)cc1)c1ccc(Cl)cc1 169961356 BSINKXNZVCPAQH-FQEVSTJZSA-N 440.282 5.482 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCO4)[C@@H]2c2cccc(C)c2)cc1 169967922 KHYBMMOVELGTQP-XMMPIXPASA-N 441.483 5.069 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(C)c(C)c2)=C(N(C)Cc2ccccc2)C1=O 170001571 APDRNBZJYCGRRF-UHFFFAOYSA-N 432.608 5.876 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2cccnc2)ccc1F 170002758 RLVUZLLXZVZCLQ-QHCPKHFHSA-N 430.479 5.435 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCCC2)cc1 170031686 KPKCOCSDIHDISK-XMMPIXPASA-N 433.548 5.613 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1ccc(F)cc1)c1ccc(F)cc1 170064337 GNGROQQXFRTUQJ-FQEVSTJZSA-N 427.353 5.026 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1c[nH]c2ccccc12 170074249 RTAIORRWYLSJAL-DEOSSOPVSA-N 438.483 5.268 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1c[nH]c2ccccc12 170075393 HRBYTEQPYQLVBY-XMMPIXPASA-N 438.483 5.268 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccccc2C)cc1 170088229 MLTGUMUCNXXCDE-QHCPKHFHSA-N 449.453 5.455 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@@H]2c2ccco2)c1 170090739 WEPBXLRLDAKFGX-HSZRJFAPSA-N 429.516 5.977 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]2c2ccc(C)o2)cc1 170101720 HYHPOHOYQGUXDD-JOCHJYFZSA-N 435.907 5.895 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1CCCOC(C)C 170107680 JZAVVXWBFNRASX-GOSISDBHSA-N 433.957 5.103 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(C)c2)cc1 170143947 FOZIKPQDIJVIIA-QHCPKHFHSA-N 431.488 5.155 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccs2)ccc1Cl 170166505 SLNYUUBVSRGGOD-IBGZPJMESA-N 431.941 5.321 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC(C)C)c3)[C@H]2c2ccncc2)cc1 170204355 WLZMTNCAAHMUFR-XMMPIXPASA-N 442.515 5.208 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@@H]1c1ccc(OCC)cc1 170213890 LOPGVVRGIRISKQ-NRFANRHFSA-N 443.927 5.126 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1ccccc1)c1ccc2c(c1)CCCO2 170229647 XFPKQCHRFCDLBW-HSZRJFAPSA-N 447.437 5.073 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(F)cc2)c1 170239460 RHEXSFQMEKJKIS-XMMPIXPASA-N 445.490 5.643 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(C(C)C)cc1 170245894 YQKBVGICFISHNI-JOCHJYFZSA-N 425.956 6.232 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC)c2)[C@@H]1c1c[nH]c2ccccc12 170255953 PWDMHBXOKNSQBM-QHCPKHFHSA-N 432.520 5.335 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccc(O)c2)c1 170259585 JFVWVFCPNKIYEM-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)=C(O)C(=O)N1c1cccc(F)c1 170270964 HXLGFMCFLURFHD-GYCJOSAFSA-N 443.474 5.240 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccco2)cc1C 170282434 PVBVIUICSTVVHC-QFIPXVFZSA-N 435.451 5.299 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3c(c2)CCCO3)=C(O)C(=O)N1c1cccc(F)c1 170313712 BTEXNPLBODGTCV-OAQYLSRUSA-N 449.503 5.304 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2sccc2C)cc1 170315162 IFPDGWKVZYLPPM-QHCPKHFHSA-N 443.568 6.027 30 10 IKEE CC(=O)Oc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(C)c(C)c2)cc1 170407258 RHSVZQVENPJMQB-JOCHJYFZSA-N 447.512 5.073 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C)c(C)c2)cc1 170453170 UTVBJQUZWDVWFD-XMMPIXPASA-N 444.531 5.526 30 10 IKEE CCCCCCCOc1ccc(/C=C\C(=O)/C=C/c2ccc(OCCCCCC)cc2)cc1 209902766 ZEWWKIDWNSHWKX-LOEKEGPCSA-N 448.647 8.291 30 10 IKEE C=CCn1c(SCC(=O)C2C3CC4CC(C3)CC2C4)nnc1-c1ccc2ccccc2c1 253567431 KAQVOIZNHJIRDM-UHFFFAOYSA-N 443.616 6.018 30 10 IKEE COc1ccc(N=Cc2ccc(OC(=O)CC(c3ccccc3)c3ccccc3)cc2)cc1 254346104 CIOPXMQRLGXNHA-UHFFFAOYSA-N 435.523 6.573 30 10 IKEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)c1ccccc1OCc1ccccc1 405021674 FWLKYOVUPBWTHL-UHFFFAOYSA-N 443.352 5.126 30 10 IKEE C=C(COCCC)[C@@H](NCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 407073900 VDVJWOWBFQXWMF-GOSISDBHSA-N 427.383 5.430 30 10 IKEE C=CCN(C[C@H](Cc1cc(Cl)ccc1Br)NCC)C(=O)OC(C)(C)C 407608769 WGKNCRZXVVRIBN-INIZCTEOSA-N 431.802 5.046 30 10 IKEE COc1ccc2c(c1)c([C@@H]1C(c3ccc(C)cc3)=C(O)C(=O)N1c1cccc(C#N)c1)cn2C 526523493 YCGLBMJLQSCIQX-AREMUKBSSA-N 449.510 5.424 30 10 IKEE Cc1ccc(SC2=C(Nc3ccccc3Cl)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 526662572 GMSPLYVQHAWETP-UHFFFAOYSA-N 445.931 5.509 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccccc1OCC(C)C 526807071 FYJAOJOLXQYAHI-CFRMEGHHSA-N 428.989 5.703 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1cccc(O)c1 526824855 XSMNGQYCJDSNPZ-FMCGGJTJSA-N 435.380 5.808 30 10 IKEE CCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1ccc(OCC(C)C)cc1 526825516 XXFZJFHLUGOQSQ-QFEZKATASA-N 426.561 5.579 30 10 IKEE COc1ccc(C)cc1S(=O)(=O)N(CCCC#N)C(c1ccccc1)c1ccccc1 586136897 SAHBAGVXWJSJTE-UHFFFAOYSA-N 434.561 5.088 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(CCCC#N)CCc2ccc(OC)cc2)cc1 586180919 XVROMYGUUCVGHF-UHFFFAOYSA-N 442.625 5.355 30 10 IKEE Cc1cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)cc(C)c1O 698455536 CZJYVAHNTMGUFM-SFHVURJKSA-N 431.330 5.778 30 10 IKEE C[C@@H]1CC(=Nc2ccc(Cl)c(Cl)c2)c2cc(F)ccc2N1C(=O)c1ccc(F)cc1 1088670885 HVHXZCYHQKIUST-CYBMUJFWSA-N 445.296 6.831 30 10 IKEE CC(=NOCc1c(C)c(C)c(C)c(C)c1C)c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1 1088718343 HXLXURSORLYRBD-UHFFFAOYSA-N 449.576 6.624 30 10 IKEE CCN(CC)c1ccc(/N=C2\C(C(C)(C)C)=Nn3c2nnc3-c2cccc(C)c2)c(C)n1 1616062484 ODBHPUXWMUDERE-SZXQPVLSSA-N 429.572 5.188 30 10 IKEE O=C1/C(=C/C=C\c2ccccc2[N+](=O)[O-])SC(=Nc2nccs2)N1C1CCCCC1 1772733261 ISTRRHWFBOJBLT-VCDSDCANSA-N 440.550 5.544 30 10 IKEE C/C(=C1\SC(=Nc2nc(C)cs2)N(C2CCCCC2)C1=O)c1ccc([N+](=O)[O-])cc1 1772739127 PSJSRLSKDIZYRB-ZBLGNAECSA-N 442.566 5.687 30 10 IKEE CCOc1ccc(-n2cc(/C=N\NC(=S)Nc3ccccc3)c(-c3ccccc3)n2)cc1 1857807802 AJCIPCDPJMGQFZ-ONUIUJJFSA-N 441.560 5.259 30 10 IKEE COc1cccc(NC(=S)N/N=C\c2cn(-c3ccccc3F)nc2-c2ccccc2)c1 1857811146 ZRFFUFKRFPXURD-YSMPRRRNSA-N 445.523 5.008 30 10 IKEE Cc1cccc(NC(=S)N/N=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c1 1857811718 YXMXJJGIHNVRTK-YSMPRRRNSA-N 445.979 5.822 30 10 IKEE N#C[C@@H](c1cccs1)N1CCC(C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 1858107289 YXJSPRNLYOWESC-QHCPKHFHSA-N 431.561 5.242 30 10 IKEE N#Cc1ccccc1NC(=O)Oc1cccc2c(NC(=O)c3ccc(F)cc3)cccc12 1858767422 AADXFOAUPQEOJV-UHFFFAOYSA-N 425.419 5.714 30 10 IKEE Cc1cccc(Cn2nc(C(=O)Nc3ccc(C#N)cc3)cc2-c2ccc(C(C)C)cc2)c1 1859399103 ZFNDJABHHZEORL-UHFFFAOYSA-N 434.543 6.154 30 10 IKEE N#Cc1cccc(C(=O)Nc2ccc(Cl)c(NC(=O)CCC(=O)c3ccccc3)c2)c1 1860461475 BVCXURULFRNEGQ-UHFFFAOYSA-N 431.879 5.066 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC(C)C)NC(=O)c1ccc2nc(CC)[nH]c2c1 1860963958 INLUTVOMPQACFY-QHCPKHFHSA-N 442.648 5.527 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)Cc1cc(Cl)ccc1SC 1860973828 JVTHQOWAOMEANK-FQEVSTJZSA-N 441.081 5.756 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1cccc(F)c1 1861379326 FXTMSKLHFMNHRF-XMMPIXPASA-N 442.575 5.129 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)c1cccc(OCC(C)C)c1 1861760294 BRJZLXOWKDLJMD-JOCHJYFZSA-N 436.662 5.050 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccccn2)cc1 1862433310 YWYKJFFGUIPXFE-HSZRJFAPSA-N 446.934 5.637 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1c(F)cccc1Cl 1862450086 ZJHABULCFMZWOO-IBGZPJMESA-N 436.310 5.757 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2cccc3ccccc23)cc1 1862480658 LKUIWPMEOQXBKG-HHHXNRCGSA-N 447.534 6.235 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccccc2F)c1 1862489752 FRSVQCHKLNFJSJ-DEOSSOPVSA-N 433.523 5.911 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C(C)C)cc1 1862497858 USAKJVNDFDKOHB-DEOSSOPVSA-N 435.564 5.859 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(CC)cc2)cc1 1862529445 GKROTOKGBDKAET-RUZDIDTESA-N 431.576 6.113 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccc(C)cc2)cc1 1862532244 GRPVZSAXJVLXFB-VWLOTQADSA-N 429.560 6.026 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 1862538691 KEHSNAPGGFAOGK-OAQYLSRUSA-N 446.374 6.180 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(F)cc1 1862544356 BJBMROCXZGEFBH-HGMMTPDKSA-N 447.550 5.862 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2c(Cl)cccc2Cl)c1 1862563040 TUBULYVGTDTNCG-FQEVSTJZSA-N 445.346 5.487 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccccc1C 1862687083 GMBOGJSLPBXHPN-HYBUGGRVSA-N 435.564 5.941 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccc(C)cc2)c1 1862698125 AKUXSQRJYNUJPX-KOSHJBKYSA-N 427.500 5.343 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(Cl)cc3C)C2=O)c1 1863027695 BCWRCLWYXHWTAH-UHFFFAOYSA-N 441.918 5.534 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCCC)=C(c2cc(Cl)ccc2Cl)C1=O 1863730125 NNYRHRLPUQGULZ-UHFFFAOYSA-N 439.427 6.214 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N2C[C@@H](C)O[C@H](C)C2)nn1-c1ccccc1Cl 1869945980 ZKQXSVCPDBYZTK-QZTJIDSGSA-N 448.011 5.223 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)c2ccc(Cl)c(Cl)c2)n(-c2ccccc2)n1 1870001874 YEHLBYBFWRXMIN-UHFFFAOYSA-N 428.323 5.005 30 10 IKEE CC(C)OCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSC(C)(C)C 1870232640 CSOXOSXRNPACBW-UHFFFAOYSA-N 428.598 5.146 30 10 IKEE C#CCOc1cn(Cc2ccccc2F)c(CNc2cc(C(C)C)cc(C(C)C)c2)cc1=O 1871009027 ZZESFRFHDZSBOF-UHFFFAOYSA-N 446.566 5.907 30 10 IKEE CCCCCCCCn1cc(OCCCC)c(=O)cc1CNc1ccc(OC)cc1C 1871111090 SQNZXDYZMUVNPA-UHFFFAOYSA-N 428.617 6.317 30 10 IKEE CCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CNc1ccc(C)c(C)c1 1871257532 GYGOAHPIMSHEEC-UHFFFAOYSA-N 426.645 6.863 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1nc(-c2ccc(Cl)cc2)sc1-c1ccc(F)cc1 1871284927 YIJKUJDUVINSQZ-UHFFFAOYSA-N 448.972 5.632 30 10 IKEE COc1cccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3cccc(C)c3)C4)C2=O)c1 1871359063 HDEVCVUXJMWWFL-MSXFZWOLSA-N 427.500 5.280 30 10 IKEE Cc1cc(OC(=O)/C=C/c2ccc(F)cc2)cc2c1C(=O)/C(=C/c1ccc(Cl)cc1)O2 1871366188 XBDMOPCDZPSRHE-AGWINUGJSA-N 434.850 6.023 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)CCCOc4ccccc4)ccc3C2=O)cc1 1871370817 BGCNSLJUQAIAHJ-UQQQWYQISA-N 444.483 5.466 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc(OCCCOc3ccccc3)c2C)C1=O 1871398687 YQQCNOXAUQDOME-BWAHOGKJSA-N 430.500 5.858 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1cccs1)C2=O 1871402422 VOFIJQQKNSUELF-VVRYKASASA-N 447.556 5.950 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O)Nc1ccc(Cl)cc1F 1871446574 DZEGDAWVROLJEW-NKVSQWTQSA-N 441.817 5.252 30 10 IKEE CCCCCCCCCCN=c1nc(N2C[C@@H](C)C[C@H](C)C2)[nH]c(=Nc2ccccc2)[nH]1 1871602075 ZYRCRDSNLSJMAC-VXKWHMMOSA-N 438.664 5.494 30 10 IKEE COc1cccc(OC)c1C(=O)[C@@H](C#N)c1nc(-c2ccc(Br)cc2)cs1 1872765010 DXRCYQVMJLRMMF-CQSZACIVSA-N 443.322 5.080 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccc(OC)cc3)n2)cc1 1872765059 GCQINXUEMXDCSZ-HSZRJFAPSA-N 448.588 6.197 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)c2ccc(Cl)s2)n1 1872777501 PDUZEMBITJMJBH-AWEZNQCLSA-N 430.982 6.321 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)COc3cccc(C)c3C)n2)cc1C(C)C 1872779845 SPPIYHYTXFQCEF-NRFANRHFSA-N 448.588 6.123 30 10 IKEE Cc1cc(C)c(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)n2)c(C)c1 1872785885 BISGHJORCPDQSR-KNQAVFIVSA-N 432.589 6.503 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2C)C(=O)N([C@@H]2CCCC[C@@H]2C)C1=O 1873102218 IXSLUIUQLYWZGH-LADGPHEKSA-N 438.656 6.384 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2cc(C)ccc2C)=C(c2ccccc2C)C1=O 1873104132 KNFCQPJWMYFXJM-UHFFFAOYSA-N 432.608 5.842 30 10 IKEE C=CCSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1sccc1C 1874206484 DRQUFOILOZEFDW-UFFVCSGVSA-N 439.393 5.694 30 10 IKEE Cc1ccc(CSc2nnc(Cc3cccc4ccccc34)n2/N=C/c2ccccn2)cc1 1874268344 RWPPPAZEVNWTPD-RDRPBHBLSA-N 449.583 5.900 30 10 IKEE C=CCSc1nnc(COc2ccccc2OC)n1/N=C/c1ccc(Cl)c(Cl)c1 1874290731 ZREJTHPSBHMWQV-FSJBWODESA-N 449.363 5.333 30 10 IKEE C=CCSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1c(F)cccc1Cl 1874320804 KRUSUANQAIKPBX-WYMPLXKRSA-N 430.936 5.427 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(Cc2ccc(Cl)cc2)nnc1SCC(=C)C 1874342420 OTWNKUSVLDVQRH-MFKUBSTISA-N 438.984 5.638 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2ccccc2O)cc1C 1874357419 GMWZHLJFNHCVEH-JVWAILMASA-N 442.588 5.674 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@@H](C)c3ccccc3)n2/N=C/c2cccc(O)c2)c1 1874395354 KTBZTWWETXHJQG-BJRSOBTISA-N 442.588 5.927 30 10 IKEE Cc1ccsc1/C=N/n1c(Cc2ccccc2)nnc1SCc1ccc([N+](=O)[O-])cc1 1874417918 WOVGPLJPRQTYAT-OEAKJJBVSA-N 449.561 5.322 30 10 IKEE CCCSc1nnc(-c2ccccc2)n1/N=C/c1ccc(OCc2ccc(C)cc2)cc1 1874428760 ADMOGZUGWCPUJW-OVVQPSECSA-N 442.588 6.217 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCCC3)n2/N=C/c2ccc3c(c2)OCCO3)c1 1874455980 USGFDGWQDGFATL-CVKSISIWSA-N 448.592 5.498 30 10 IKEE Cn1cccc1/C=N/n1c(SCc2c(Cl)cccc2Cl)nnc1C(F)(F)F 1874462312 RODGXZQWDLSPLM-GZIVZEMBSA-N 434.274 5.117 30 10 IKEE C=CCSc1nnc(-c2ccco2)n1/N=C/c1ccc(OCCCC)c(OCC)c1 1874468047 OWVPPQLHBYBHRX-XQNSMLJCSA-N 426.542 5.276 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccco3)n2/N=C/c2ccncc2)c(Cl)c1 1874468430 HXWRGFRJNNDGIP-FOKLQQMPSA-N 430.320 5.414 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(C)(C)C)n2/N=C/c2cc(Cl)ccc2O)c1 1874484497 YXTOVOCXJZVFNO-WYMPLXKRSA-N 428.989 5.726 30 10 IKEE COc1cccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C(C)C)c1O 1874514803 HTMCCAPNMCKGML-AFUMVMLFSA-N 432.549 5.443 30 10 IKEE Clc1cccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C2CC2)c1 1874521006 WPWWNXCVWZYXPW-AUEPDCJTSA-N 437.783 6.290 30 10 IKEE Cc1ccccc1COc1ccc(/C=N/n2c(S)nnc2-c2ccccc2Cl)cc1 1874562495 ZSFVAHJZDDMSOE-AFUMVMLFSA-N 434.952 5.657 30 10 IKEE COc1cccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1OCc1c(F)cccc1Cl 1874571282 FOINBPUOJNYXLK-VAWYXSNFSA-N 441.842 5.871 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c1OCc1ccc(Cl)cc1 1874571724 CGDFKNSGOYYFHM-DTQAZKPQSA-N 432.947 6.703 30 10 IKEE Cc1ccc(COc2ccc3ccccc3c2/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1 1874579499 RKKBJBOWKGBWHM-WYMLVPIESA-N 447.361 7.930 30 10 IKEE O=C(/C=C/c1c(OCc2cccc(Cl)c2)ccc2ccccc12)c1cccc2ccccc12 1874583310 HNKWJKULUISPQY-WUKNDPDISA-N 448.949 8.122 30 10 IKEE O=C(/C=C/c1ccc(OCCc2ccccc2)c(Cl)c1)c1ccc(Br)cc1 1874607768 FNJWZWPVIUUKNR-WUXMJOGZSA-N 441.752 6.620 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OCC(=O)NC1CCCCC1 1874623116 MTLLTDZFKSAAOY-JQIJEIRASA-N 443.543 5.572 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(C)c3)c([N+](=O)[O-])c2)c(C)c1C 1874626590 MJFSYZUGKOVXII-DHZHZOJOSA-N 431.488 6.004 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2cccc(/C=C/C(=O)c3cccc(Cl)c3)c2)cc1 1874699411 UFNFCGJZCRXSDR-NTCAYCPXSA-N 434.919 6.309 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OC(=O)c1c(F)cccc1Cl 1874701123 CDRWGXXTSRSESI-DHZHZOJOSA-N 438.882 6.220 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2cccc3ccccc23)CSc2nnc(CC)n21 1874839062 AAOJTYIVKGFBKD-QFIPXVFZSA-N 436.625 6.056 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)COCc3ccccc3)cc2)cc1 1875106484 ATJRJQWUTFDJQQ-XMHGGMMESA-N 428.528 6.048 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)c1ccccn1 1875111382 ACKJDWQDLCAVPV-ZHACJKMWSA-N 442.298 5.902 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1 1875120521 XBXMETFVTSHLJL-XNTDXEJSSA-N 436.454 5.934 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Br)c1OC(=O)CC 1875121906 NBQYMXMBNWYWBA-CMDGGOBGSA-N 437.717 5.713 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3ccccc3C(C)C)cc2)cc1 1875132392 RAGRIBMGTGTKBL-XMHGGMMESA-N 442.555 6.779 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)c1cncc(C)c1 1875142478 FVEABBCLRWGBFE-JXMROGBWSA-N 445.490 5.690 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1ccccc1Cl 1875151302 FJYYIOXYJZJOSY-RMKNXTFCSA-N 436.847 5.193 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(F)c3)cc2Cl)cc1 1875161877 LVUDILFFEMJXCE-ONNFQVAWSA-N 442.845 5.671 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1Br 1875169217 KRBHMCQYWJSIOJ-PKNBQFBNSA-N 443.381 6.674 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)ccc1OC(=O)c1cccnc1 1875181506 JRVOEDMKCKRXLS-SOFGYWHQSA-N 437.879 5.176 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](O)c1c(C)sc(C)c1Br 1922055600 SQXRVTDHGVMRBP-LEWJYISDSA-N 438.431 5.302 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 1922086333 PKDFFBCQKMDORK-HJOGWXRNSA-N 430.633 5.459 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@](C)(O)c1ccc(OCc2ccccc2)cc1 1922100241 RIOMUEIXFNEPOI-WUFINQPMSA-N 431.576 5.224 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@]1(C#N)[C@H](CNC(=O)OC(C)(C)C)CCCC12CCC2 1924828364 IBYQUNWMUYCGTA-UQBPGWFLSA-N 449.636 5.637 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)[C@@H]2CCC[C@@H]21 1926544842 HSSFCDCDAUQDRF-IMWIBFENSA-N 445.535 5.249 30 10 IKEE CC1(C)CC[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)[C@H](OCc2ccccc2)C1 1953558576 RXLUPAVHYZEROX-UFHPHHKVSA-N 448.607 6.482 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@H](C#N)[C@@]1(C)CCCN1C(=O)OC(C)(C)C 1991919649 NPHCNZXGWOIDBS-VGOFRKELSA-N 435.590 5.167 30 10 IKEE CC[C@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)CN1C(=O)OC(C)(C)C 1996581011 ZLYDGRVVLVJVOQ-UUOWRZLLSA-N 435.609 5.628 30 10 IKEE Cc1cc(Br)c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)s1 2029269955 KZTRFRXPAVDFNW-OAHLLOKOSA-N 425.323 5.965 30 10 IKEE Cc1ccc(N=C2SCCCN2C(=O)C=Cc2ccc(Br)o2)cc1Cl 2040433984 WSHFDUWLVADLPY-UHFFFAOYSA-N 439.762 5.670 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)CC12CCC2 2063292846 QXBIAQWJAZJIDP-JOCHJYFZSA-N 448.568 5.140 30 10 IKEE CN[C@H](CC#C[Si](C)(C)C)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2067290005 SPFRDHBLIQGMAV-QGZVFWFLSA-N 425.443 5.328 30 10 IKEE CCc1ccc([C@@H](C2CCC2)n2nc(C(C)C)c(C#N)c2I)cc1 2079042166 FMRHRFSNLWGUAF-LJQANCHMSA-N 433.337 5.435 30 10 IKEE CCc1nn([C@@H](c2cc(C)c(C)cc2C)C2(C)CC2)c(I)c1C#N 2079123843 DXYWPZBOKQPYHH-SFHVURJKSA-N 433.337 5.237 30 10 IKEE CC(=O)Oc1ccc([C@H](n2nc(C3CCC3)c(C#N)c2Br)C2(C)CC2)cc1 2080072084 NWWXACBXROBNRP-IBGZPJMESA-N 428.330 5.100 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cccc(Br)c1Cl 2081383799 QRPXQTUAJDPQIP-DOTOQJQBSA-N 429.786 5.060 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Br)c1C)NCCC 2087429120 HWXJPVVZXCJHHA-OALUTQOASA-N 425.411 5.138 30 10 IKEE Cc1cc(NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)ccc1NC(=O)OC(C)(C)C 2094845512 QVCATEMUEINRNT-UHFFFAOYSA-N 438.377 5.253 30 10 IKEE N#Cc1c(F)cccc1Nc1cc(Br)c(Br)c(Br)c1 2095445305 FYNXRVWWQQHNSK-UHFFFAOYSA-N 448.915 5.728 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H](Nc2ccc(C#N)c(Br)c2F)CCC1(C)C 2105998094 YWKZRHOXOULFMC-ZDUSSCGKSA-N 426.330 5.050 30 10 IKEE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)[C@@H]2C[C@H](c3ccccc3)CC[C@H]2C#N)C1 2117931187 OJVRWGJDSPZLNG-RMTZWNOUSA-N 445.607 5.584 30 10 IKEE C=CCC1([C@H](NC)c2c(Cl)ccc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2122138822 HKMMAJSKXUCKGY-MRXNPFEDSA-N 447.776 5.315 30 10 IKEE CC(C)C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1Nc1ccc(C#N)cc1Br 2149851842 KGUISNVFWSCYNY-FUHWJXTLSA-N 436.394 5.404 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1c1ccc(Nc2ccc(C#N)c(Br)c2)cc1 2162388601 ZZJQHUACWHFELN-IEBWSBKVSA-N 428.330 5.445 30 10 IKEE C=CC1(C[C@H](NCCC)c2cc(NC(=O)OC(C)(C)C)ccc2Br)CCC1 2168029330 VACGKVFKLOVYRQ-IBGZPJMESA-N 437.422 6.583 30 10 IKEE CCC1(CC)CCC(C#N)(N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)CC1 2171386035 ZOFSSNOUFDHJGJ-UHFFFAOYSA-N 435.406 6.833 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)cc(C)cc1Br 2173459583 XFYOQNHBBIPLEV-IEBWSBKVSA-N 443.401 5.797 30 10 IKEE C[C@H]1CCCN(c2ccc(C#N)c(Br)c2)[C@H]1CCCNC(=O)OC(C)(C)C 2174808203 LJOWPNNFOPQEQL-KXBFYZLASA-N 436.394 5.231 30 10 IKEE CO[C@]1(C)C[C@H]2C[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2185286201 XOUSCIQRPDEWQL-RSMHBEIYSA-N 435.362 5.288 30 10 IKEE CCCCCCCC[C@@](C)(CN)N(Cc1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 2217260540 VYSJJJKHBXMFAH-SANMLTNESA-N 431.665 5.576 30 10 IKEE CCCc1ccc(C#CC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)cc1 2223319894 FKTATHGFKQZVMQ-NBGIEHNGSA-N 435.564 5.058 30 10 IKEE C=CCCCCC[C@H](N)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2229113341 GXIAJEZMJQCGNU-OALUTQOASA-N 425.411 5.349 30 10 IKEE Cc1ccc([C@H](O)C#Cc2ccccc2Br)c(NC(=O)OC(C)(C)C)c1C 2235727966 GXCJRNUSZUNYBV-LJQANCHMSA-N 430.342 5.498 30 10 IKEE C=C(COCc1ccccc1)[C@@](C)(OCC(=O)O)c1ccc(OCc2ccccc2)cc1 2262198920 DEDBZDKKEZVZRT-HHHXNRCGSA-N 432.516 5.355 30 10 IKEE C=C(C)CCCC[C@H](NCC)c1cc(Br)ccc1I 2271836923 MNFJRWLTERUXPO-INIZCTEOSA-N 436.175 5.841 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Cl)cc1[C@H](O)C#Cc1cccc(Br)c1 2278743430 GJLIWIZHMXVVSD-GOSISDBHSA-N 436.733 5.535 30 10 IKEE Cc1ccc(N=C2SC(=C3Sc4ccc(Cl)cc4N3C)C(=O)N2C)cc1Cl 2295201855 IDJDDALRJPOVCS-UHFFFAOYSA-N 436.389 5.906 30 10 IKEE CCc1ccc(NC(=O)OC(C)(C)C)c([C@@H](O)C#Cc2cccc(Br)c2)c1 2296221595 KBRXVNZDLQFLQV-FQEVSTJZSA-N 430.342 5.444 30 10 IKEE COc1cc(C=C2SC(=NCc3ccccc3)N(Cc3ccccc3)C2=O)ccc1O 2296738471 YNYOPHJNYDOHFX-UHFFFAOYSA-N 430.529 5.074 30 10 IKEE C=CCN1C(=O)C(=Cc2ccccc2OCCCOc2ccc(C)c(C)c2)SC1=S 2297624764 LZRNPNHBRVFOII-UHFFFAOYSA-N 439.602 5.539 30 10 IKEE N#Cc1c(NC(=O)C=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)sc2c1CCCC2 2313724509 DEXBYDQLTNLIAM-UHFFFAOYSA-N 443.355 6.717 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2F)cc1)c1ccc(Br)cc1 2314429868 QOWVWSVKAYIBBS-UHFFFAOYSA-N 425.253 5.704 30 10 IKEE Cc1cccc(N=C2SC(=Cc3ccc(-c4cc(Cl)ccc4Cl)o3)C(=O)N2C)n1 2314540770 YARXESBRWJQCNS-UHFFFAOYSA-N 444.343 6.191 30 10 IKEE Sc1nnc(C2CCC2)n1N=Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1 2321901755 SRCSMVYTLRXXFH-UHFFFAOYSA-N 433.364 5.602 30 10 IKEE COc1ccc(OC)c(C=C2Oc3c(ccc4c3CN([C@@H]3CCCC[C@H]3C)CO4)C2=O)c1 2322145856 MDHKGTCUGRVCJV-IIBYNOLFSA-N 435.520 5.051 30 10 IKEE Fc1ccc(F)c(OCc2nnc(S)n2N=Cc2cccc(Oc3ccccc3)c2)c1 2322145990 JZCURHNLLAIYLY-UHFFFAOYSA-N 438.459 5.099 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(C(C)C)cc1)C3=O)CN(Cc1ccccn1)CO2 2322312017 PLDJXJQWQZCDLY-UHFFFAOYSA-N 426.516 5.482 30 10 IKEE COC(=O)c1ccc(COc2ccc3ccccc3c2C=CC(=O)c2ccccc2OC)o1 2322479040 ZLZJJEDBNFKDGT-UHFFFAOYSA-N 442.467 5.703 30 10 IKEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1cccc(Cl)c1)Nc1ccccc1F 2322527869 KLBXXPWYEVZMPT-UHFFFAOYSA-N 444.289 6.046 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1ccc2c(c1C)OC(=Cc1ccccc1C)C2=O 2322760023 MZKOJDDTULJZQT-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OCC(=O)Nc1ccccc1F 2323302338 RTAMEODMHYHMNW-UHFFFAOYSA-N 447.506 5.673 30 10 IKEE COc1ccc(OC)c(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2cccs2)C3=O)c1 2323486974 ULRPYTRRXKVCDG-UHFFFAOYSA-N 434.469 5.000 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)c4cccc(OCC(C)C)c4)cc(C)c3C2=O)c1 2323580437 OEFGTVBOQYHCFS-UHFFFAOYSA-N 442.511 6.174 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)cc(Cl)c1OCCc1ccccc1 2323607285 BGGMQGOQEGYDFG-UHFFFAOYSA-N 441.354 6.910 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OCC)cc2)cc(OC)c1OCCc1ccccc1 2323840416 AFIOXZRVAINZHM-UHFFFAOYSA-N 442.555 6.340 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Cl)c1OCC(=O)OCC(C)C 2323844441 NXDXRCTWCQZFBV-UHFFFAOYSA-N 430.928 5.440 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1 2323901000 ZPZRYJJZWVPGQY-UHFFFAOYSA-N 425.297 6.372 30 10 IKEE COc1cccc(C=C2Oc3cc(OCCCOc4ccccc4)cc(C)c3C2=O)c1OC 2324234580 QGWQKJISCCEYEQ-UHFFFAOYSA-N 446.499 5.476 30 10 IKEE CCc1ccc(OCCCOc2ccc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)cc1 2324662084 FEGBWGTYZCOIKM-UHFFFAOYSA-N 432.491 6.161 30 10 IKEE Cc1cc(OCC(=O)N[C@@H](C)c2ccccc2)cc2c1C(=O)C(=Cc1cccc(Cl)c1)O2 2325019749 KLEUDAPDJJJXQS-KRWDZBQOSA-N 447.918 5.521 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)c4ccc(NC(C)=O)cc4)ccc3C2=O)cc1 2325234931 FTLLBZONLWFWTD-UHFFFAOYSA-N 441.483 5.085 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccc(F)cc1)C2=O 2325494661 KOOBMOKVYGAEPN-UHFFFAOYSA-N 431.463 5.385 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)C(c3ccccc3)c3ccccc3)c2)cc1 2325719260 ZDHBJTBNJUMPEE-UHFFFAOYSA-N 448.518 6.329 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2ccccc2)cc1OC(=O)c1cccs1 2325732176 DEOWSDSRWGYPIU-UHFFFAOYSA-N 443.318 5.635 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)COCc3ccccc3)c2)cc1 2325739607 CCZZVNTXQLHXFP-UHFFFAOYSA-N 430.500 5.494 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1cccc(C=CC(=O)c2ccc3c(c2)OCCO3)c1 2325745624 ODDXEZOKFFLPSA-UHFFFAOYSA-N 448.902 5.546 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cccnc3)c2)c(OCC)c1 2325762058 LAWUZGWFXIWSEX-UHFFFAOYSA-N 447.487 5.003 30 10 IKEE C=CCOc1ccccc1C=Nn1c(COc2cc(Cl)ccc2Cl)nnc1SC 2325911138 VQFUMHPBBCSMDS-UHFFFAOYSA-N 449.363 5.333 30 10 IKEE CCn1c(C)c(C=Nn2cnnc2SCc2c(F)cccc2Cl)c2ccccc21 2326567580 LLADHGFPVPZOAN-UHFFFAOYSA-N 427.936 5.528 30 10 IKEE Cc1ccccc1OCCCc1nnc(SCc2ccccc2)n1N=Cc1cccs1 2327098436 ZDUHKPBSTZRQCX-UHFFFAOYSA-N 448.617 5.834 30 10 IKEE CCCOc1ccc(C=Nn2c(CCc3ccccc3OC)nnc2SCCC)cc1 2328699713 DIVQCSRIOZYMNE-UHFFFAOYSA-N 438.597 5.245 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3C)n2N=Cc2ccccc2)cc1 2329465506 BPPORXUJHWAGFM-UHFFFAOYSA-N 426.589 5.855 30 10 IKEE Cn1cccc1C=Nn1c(Cc2cccs2)nnc1SCc1cccc2ccccc12 2330422346 ZQACTEZQQMYQMQ-UHFFFAOYSA-N 443.601 5.597 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)[C@H]1[C@@H]2CCC(F)(F)[C@@H]21 2330652103 GMWIFQPVNCMAGA-KSYCFECVSA-N 427.289 5.374 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)C=Cc1ccccc1[N+](=O)[O-] 2330653975 PYOYQRZWRPZBSM-DEOSSOPVSA-N 431.577 5.150 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3OC)c(Cl)c2)cc1 2330833005 DIOIBGGUHJOFHQ-UHFFFAOYSA-N 448.946 6.807 30 10 IKEE CCOc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccccc2)cc1OC 2330844816 ZJIIMWXBEMTWKB-UHFFFAOYSA-N 438.597 5.449 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CSc3ccccc3)c(OC)c2)cc1C 2330881104 UFJOSVMTDSHJHK-UHFFFAOYSA-N 448.540 5.606 30 10 IKEE Clc1ccccc1CSc1nnc([C@H]2CCCO2)n1N=Cc1cccc2ccccc12 2330965798 QDNVHGIXDNVVOW-JOCHJYFZSA-N 448.979 6.111 30 10 IKEE Clc1cccc(CSc2nnc([C@@H]3CCCO3)n2N=Cc2ccccc2Cl)c1 2331000957 AILQFWXXVFYCCO-SFHVURJKSA-N 433.364 5.611 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)c(C)c3)c(OC)c2)cc1 2331211337 MHDMXUKMKRLDLE-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE CSc1nnc(CC(C)C)n1N=Cc1c(OCc2ccccc2)ccc2ccccc12 2331417591 BQJQIQLGGSIQEA-UHFFFAOYSA-N 430.577 5.813 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3)c(Cl)c2)cc1 2331494400 UQYAGFGMROCWCE-UHFFFAOYSA-N 432.947 6.898 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)CCOc1ccccc1 2331535435 CSHSNBIFBPOSPV-UHFFFAOYSA-N 434.463 5.495 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3ccccc3)cc2)c(C)c1C 2331612265 YNLDJEFDXUUCKA-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE CCCc1nnc(SC)n1N=Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 2331618140 LICRQCOIPPADBS-UHFFFAOYSA-N 430.961 5.076 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1ccc(C(C)(C)C)cc1 2331630405 IJSGFNYONQLRHJ-UHFFFAOYSA-N 435.597 5.141 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1cccc2ccccc12 2331636440 XQHVJJMJFMUAOJ-UHFFFAOYSA-N 447.539 5.136 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2cc3ccccc3n2C)cc1 2331660213 VNCHAQZUZIYIIN-UHFFFAOYSA-N 439.511 5.919 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(Cl)c(Cl)c1 2331707302 MPDSJCDVNOKVSY-UHFFFAOYSA-N 439.799 6.536 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OCC)cc3)[C@H]2c2ccccc2)cc1 5921556 ALBVIEPCLZDFTN-DEOSSOPVSA-N 443.499 5.267 30 10 IKEE CCCCCCCCCC(=O)Oc1ccc(C(=O)/C=C/c2cccc3ccccc23)cc1 8383716 KPCYFTMFPHNVDZ-ZBJSNUHESA-N 428.572 7.782 30 10 IKEE CC1(C)CC(/N=C2/C=CC3=N[C@]45CCCC[C@@H]4CC4=C(CCCC4)N5C3=C2)CC(C)(C)N1 13143089 VSDVPTFEBFDIBD-OCZFNDSHSA-N 432.656 6.065 30 10 IKEE C=C(C)COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc3c(c1)c1ccccc1n3CC)N2 20685177 DDLSFWQYCHTJTL-NETJKIJISA-N 434.583 7.596 30 10 IKEE COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)c1OC 21245213 PRBZTUZTOBNENM-WGDIFIGCSA-N 444.506 5.822 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(C(F)(F)F)cc2)cc1 21252994 DQFSWVBWRZBWFU-LPHOPBHVSA-N 429.438 5.108 30 10 IKEE Cc1ccc(C)c(COc2ccc3c(c2)O/C(=C\c2ccc(Br)cc2)C3=O)c1 33351476 RIVOXQVYBIDCGC-FMCGGJTJSA-N 435.317 6.261 30 10 IKEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C\c3c(F)cccc3Cl)c2C#N)C1 33777851 PDUHGYQQRGTWGW-BMSUMIBZSA-N 430.976 6.605 30 10 IKEE Cc1cccc(/N=C2/S/C(=C\c3c(F)cccc3Cl)C(=O)N2C2CCCCC2)n1 39863699 SMRNZNHFWJLGLA-FULCUCPXSA-N 429.948 6.119 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN(Cc2cccs2)C3)C1=O 41587404 ZJOJDDPSSUMCCD-UUYOSTAYSA-N 433.529 5.424 30 10 IKEE Cc1ccc(N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1Cl 59147932 JFMMGRRFXDDDKI-WSDLNYQXSA-N 426.816 5.703 30 10 IKEE CCc1nc2scc(-c3ccc(C(C)(C)C)cc3)c2c(=O)n1Cc1cccc(C#N)c1 96529552 JRULYKBAHKXDTD-UHFFFAOYSA-N 427.573 5.905 30 10 IKEE CC(C)(C)c1ccc(OCC(=O)N(CCC#N)CCc2ccccc2)c(Br)c1 100438072 AIIIIXBDOVWTDK-UHFFFAOYSA-N 443.385 5.110 30 10 IKEE CCCCCCCCCCCCCNC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 100839046 VEPMJWISIBNJRJ-HSZRJFAPSA-N 436.662 5.701 30 10 IKEE O=C(/C=C/C=C\c1ccccc1)C[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 101400650 PDVGYBUXCSPYFL-LQWFYPIASA-N 443.930 5.303 30 10 IKEE CCCCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 101678949 VVFRXMQOAWNQTF-UHFFFAOYSA-N 447.235 5.422 30 10 IKEE CCCCCCCNc1c(Br)cc(Br)cc1Br 109768905 CKBJPNUKRWCDPD-UHFFFAOYSA-N 428.006 6.356 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccc(OC)cc2)cc1 169926470 OTCNSRXOSQUQFZ-DEOSSOPVSA-N 427.500 5.349 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2ccccc2C)cc1 169926632 HIRJFNQVOMXVRG-SANMLTNESA-N 449.506 5.940 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2cccc(C)c2)c1 169930898 FKXXNTZWQINABD-AREMUKBSSA-N 449.506 5.940 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccc(N(C)C)cc2)c1 169952940 NVZCGWRKRGVNDJ-QHCPKHFHSA-N 446.934 5.497 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(N(C)C)cc2)c1 169956909 WJEJWGYCLIYECY-DEOSSOPVSA-N 432.564 5.280 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(F)cc2F)c1 169971314 HNYDHBOJBGSBRP-OAQYLSRUSA-N 439.845 5.710 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccccc2C)c1 170037421 QDKHMAFVDPJDBP-XMMPIXPASA-N 445.490 5.624 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc2ccccc12 170045271 PMXDUOVSQLQEON-XMMPIXPASA-N 439.467 5.220 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(Cl)cc1)c1cccc(Cl)c1 170056726 HEMGBWAIXJUGSQ-LJQANCHMSA-N 444.339 5.833 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(Cl)cc1 170057198 BNIDPHFWGVKPTQ-HSZRJFAPSA-N 449.934 5.497 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2sccc2C)cc1 170107981 MUUZPDVUSPOGCO-NRFANRHFSA-N 435.520 5.537 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)c(Cl)c2)[C@H]1c1ccncc1 170211053 LVPRZLJGSNCZQJ-GOSISDBHSA-N 449.334 5.166 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@H]1c1ccccc1 170225586 JUWYHHHKGIDGNC-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@@H]1c1ccc(Cl)cc1 170236181 UWCHKDZOTUPMER-IBGZPJMESA-N 434.319 5.380 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@@H]2c2ccc(CC)cc2)cc1 170267711 ZCBBFWONBYMFRU-RUZDIDTESA-N 449.591 6.196 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccc(C)o2)c(C)c1 170304793 KWKLGJCYELVWRJ-RUZDIDTESA-N 441.527 5.867 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1sccc1C 170319123 WWDKYQURMOPXBF-FQEVSTJZSA-N 427.566 5.388 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2cccc(OC(C)C)c2)c1 170347994 GEQAXRZQJNLNPS-QHCPKHFHSA-N 431.488 5.467 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(OCC(C)C)cc2)cc1 170350157 IHTQNOZPSCVSMM-HSZRJFAPSA-N 447.556 5.874 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1)c1ccco1 170421197 FDGODHMTDDWVAK-IBGZPJMESA-N 427.378 5.077 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cc(Cl)ccc2C)ccc1O 170464392 UCFFFILOONFUJU-HXUWFJFHSA-N 443.927 5.268 30 10 IKEE Cc1[nH]c2ccccc2c1C=Nn1c(-c2ccc(F)cc2)csc1=NCc1ccccc1 254401326 DLHMTZWSOSJALP-UHFFFAOYSA-N 440.547 6.129 30 10 IKEE CC(=O)C(=NNc1ccccc1)Sc1nnc(CCc2ccccc2)n1-c1ccccc1 254646361 RTXDBIBQHCWTIW-UHFFFAOYSA-N 441.560 5.159 30 10 IKEE C(=Nn1c(-c2ccccc2)csc1=NC[C@@H]1CCCO1)c1ccc(-c2ccccc2)cc1 254790276 IXAWCLZQZXUWLP-VWLOTQADSA-N 439.584 5.846 30 10 IKEE N#C[C@H](Nc1ccccc1Br)c1c(Br)cncc1Br 394525779 KUTAWRWNWQBPAA-LBPRGKRZSA-N 445.940 5.046 30 10 IKEE C=CCCCCC[C@H](NCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 406602448 AUBHQYLADWTOFG-IBGZPJMESA-N 425.411 6.583 30 10 IKEE Cc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2c(C)n(C)c3ccccc23)cc1 526520564 HNZIWSXDKXHKFC-AREMUKBSSA-N 433.511 5.724 30 10 IKEE CCCOc1c(Cl)cc(/C=N\n2cnnc2SCc2ccc(F)cc2)cc1OCC 526801263 HXSIKXCGAIKJTK-ROTLSHHCSA-N 448.951 5.433 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@]1(C#N)CCc2ccc(Br)cc21 698826197 RZHIMPMWWFGPMD-HXUWFJFHSA-N 433.371 5.613 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@H](C#N)c1ccc(Cl)c(Br)c1 710727222 ZONMDZQGCCOXCL-SFHVURJKSA-N 435.749 6.104 30 10 IKEE COc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(C)c2)cc1Br 710774906 GGQCYOOHBAJOIM-SFHVURJKSA-N 431.330 5.773 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@]1(C#N)C[C@@H]2C[C@@H](CN2Cc2ccccc2)C1 716619771 HMEXXPPZZCPXBM-DXBVXKBHSA-N 431.580 5.371 30 10 IKEE Cc1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2c(C)ccc(O)c2Cl)cc1 777512637 ISRXZFVAUDZUFT-UHFFFAOYSA-O 436.944 5.145 30 10 IKEE CCCCCCCCC[C@@H](CN)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 829343247 ZYJKMPBATUVRMZ-FQEVSTJZSA-N 441.454 6.659 30 10 IKEE O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C/c1cc(Cl)cc(Cl)c1O 1084149142 DBBAOGXYIBKIBI-LFYBBSHMSA-N 434.131 5.897 30 10 IKEE Cc1ccc(Oc2ccc(C(F)(F)F)cc2N=Cc2cc(Cl)cc(Cl)c2O)cc1 1084517873 WWQFKNRIFUDNGF-UHFFFAOYSA-N 440.248 7.569 30 10 IKEE CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=Nc1nc(-c2ccccc2)cs1 1772737380 MMGSTRJSSDRTEA-KXSRYFARSA-N 435.530 5.163 30 10 IKEE Cc1ccc(-n2cc(/C=N\NC(=S)Nc3cccc(C)c3)c(-c3cccs3)n2)cc1 1857812099 SNFASGZCXLWQOM-OYKKKHCWSA-N 431.590 5.538 30 10 IKEE C=CCOC(=O)Nc1ncccc1O[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 1858700980 XQOQRBRZLXJMOH-KRWDZBQOSA-N 433.464 5.014 30 10 IKEE CC(C)c1cccc2nc(-c3cccc(C(=O)Nc4oc5c(c4C#N)CCCC5)c3)oc12 1859756176 JOMQOFAKHSHWMN-UHFFFAOYSA-N 425.488 6.214 30 10 IKEE Cc1ccccc1-c1nc(-c2ccc3c(c2)oc(=O)n3C(=O)c2cccc(C#N)c2)cs1 1860472365 UVSKGTVDSQPWLC-UHFFFAOYSA-N 437.480 5.254 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C3CCN(C(=O)c4cccc(C#N)c4)CC3)cc2)cc1C 1860705849 KTVDQGVIIQZVLZ-UHFFFAOYSA-N 438.527 5.414 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)Cc1cc(OC)ccc1Cl 1860978430 JZRCJGPEHCKMLE-NRFANRHFSA-N 425.013 5.043 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)[C@@H](C)Oc1ccccc1C(C)C 1861653622 MQATVGMWJWVANK-GGAORHGYSA-N 432.649 5.729 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(F)cc2)cc1 1862391254 WNSAHOKEEHCBRW-DEOSSOPVSA-N 444.506 5.342 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc(O)c1 1862430378 JEFVRNZLMDZTSO-IVZQSRNASA-N 433.891 5.385 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2C2CCCC2)cc1 1862460132 SHRHBEXSPMGGFC-OAQYLSRUSA-N 445.437 5.024 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 1862518467 KJWIXWBYNACSSU-QHCPKHFHSA-N 433.548 5.514 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(OC)cc3)[C@H]2c2ccccc2C)cc1 1862535028 ZGVWBWCSSQBNRH-VWLOTQADSA-N 441.527 5.345 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CCC(C)C)cc1 1862582216 YXKXHSMSEONTCH-NRFANRHFSA-N 446.374 6.180 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1[N+](=O)[O-] 1862583146 UNXVAYZZMVKURI-GOSISDBHSA-N 449.290 5.280 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2cccc(Cl)c2)cc1 1862660385 IIHWLQOFASRNHP-QHCPKHFHSA-N 446.934 5.637 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)cc1 1862677088 YVKKLMFTAZMWIA-POCHDABASA-N 437.511 5.381 30 10 IKEE N#Cc1ccc(NC2=C(c3ccccc3Cl)C(=O)N(CCCc3ccccc3)C2=O)cc1 1863446393 YWUISLPUFZGDQI-UHFFFAOYSA-N 441.918 5.036 30 10 IKEE CCCCCCCCCCNC(=O)c1c[nH]c2c(F)cc(Br)cc2c1=O 1866442286 LHPAYKODKALANS-UHFFFAOYSA-N 425.342 5.300 30 10 IKEE CCCC[C@@H](NC(=O)[C@@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866963698 MMWKHCBWXYLVHS-JWQCQUIFSA-N 433.596 5.735 30 10 IKEE C=CCN(CC=C)c1cc(N2CCCC[C@@H]2CCO)nc(-c2ccc(C(C)(C)C)cc2)n1 1867997616 FSDLJMBWWBPOAQ-HSZRJFAPSA-N 434.628 5.361 30 10 IKEE CC[C@@H]1Cc2cc(OC)ccc2N(c2cc(Nc3ccc(C#N)cc3)nc(C(C)C)n2)C1 1868243124 VLGZIGDPYQHKCO-GOSISDBHSA-N 427.552 5.944 30 10 IKEE CCCCOCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSC(C)C 1870233644 ZTOHRYRJDGKIPD-UHFFFAOYSA-N 428.598 5.147 30 10 IKEE CCCCCCCCn1cc(OCCO)c(=O)cc1CNc1ccc(Cl)c(Cl)c1 1870790429 YVYUWPKMJSOKCC-UHFFFAOYSA-N 441.399 5.499 30 10 IKEE C=CCOc1cn(Cc2ccccc2F)c(CNc2cc(Cl)cc(Cl)c2)cc1=O 1870813224 CDXWPNBUAPQZMZ-UHFFFAOYSA-N 433.310 5.519 30 10 IKEE CCCCCCCOc1cn(Cc2ccccn2)c(CNc2cc(C)ccc2C)cc1=O 1870838301 XPNUXLDTFLNKLD-UHFFFAOYSA-N 433.596 5.870 30 10 IKEE C#CCOc1cn(CCCCCCCCCC)c(CNc2ccc(C)c(F)c2)cc1=O 1871005900 FUNBRYHCYHUZRU-UHFFFAOYSA-N 426.576 6.061 30 10 IKEE C=CCn1cc(OCc2c(Cl)cccc2Cl)c(=O)cc1CNc1ccc(C)c(C)c1 1871049780 RHWDNLDXPOVSPV-UHFFFAOYSA-N 443.374 6.149 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc3c2CN(CCc2c[nH]c4ccccc24)CO3)C1=O 1871345207 XSKOWLUVXPNRLV-FMCGGJTJSA-N 442.540 5.549 30 10 IKEE Cc1cc(OC(=O)c2ccc(/C=C/C(=O)O)cc2)cc2c1C(=O)/C(=C/c1ccc(F)cc1)O2 1871381992 IWHYXHUGAGYTHT-AGWINUGJSA-N 444.414 5.067 30 10 IKEE Cc1cc(OC(=O)/C=C/c2ccccc2)cc2c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O2 1871385311 LWKBWVVARGGQJD-WSHPORRNSA-N 427.412 5.138 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)CCc4ccccc4)cc(C)c3C2=O)c(OC)c1 1871385880 RBZHZLPYTUUDKD-OYKKKHCWSA-N 444.483 5.167 30 10 IKEE CCCC[C@@H](Oc1cc(C)c2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O)C(=O)O 1871423007 LXOVHUBIAKALIA-KLSKMWHSSA-N 435.303 5.940 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1 1871454456 LNJAUYTZSDBZLA-MYYYXRDXSA-N 441.527 6.061 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccc(F)cc2)C3=O)c1 1871460664 YQTWOZOENPPHCC-QRVIBDJDSA-N 431.463 5.385 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 1871757561 BEYFIDIICWZFJQ-OAQYLSRUSA-N 434.989 5.023 30 10 IKEE C=CCN([C@@H](C(=O)Nc1cc(C)cc(C)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1871996846 HDYUQOUGEQSKLJ-PGRDOPGGSA-N 449.016 5.187 30 10 IKEE Cc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(Br)cc3)cs2)c(C)c1 1872764885 AMVSLZPRWAVFIJ-KRWDZBQOSA-N 441.350 5.445 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(C)cc3)n2)cc1OCCC 1872766737 KEKZGAKLCXXNIN-OAQYLSRUSA-N 448.588 6.115 30 10 IKEE CCCCCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(F)c(C)c3)cs2)cc1 1872772542 PIRUFEMNLRVFFN-OAQYLSRUSA-N 436.552 6.707 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@H](C#N)C(=O)c2cccc(OCC(C)C)c2)n1 1872781490 VGWRSMADGHNJLW-OAQYLSRUSA-N 434.561 5.960 30 10 IKEE CCOc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2ccc(OC)c(Cl)c2)cs1 1872786007 YTCWFHZPCNTGDY-OAHLLOKOSA-N 442.924 5.126 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc3nc[nH]c3c2)=C(c2ccccc2C)C1=O 1873305747 SIVJGECRSWTHSA-UHFFFAOYSA-N 430.552 5.424 30 10 IKEE C=CCN(CC=C)C(=O)c1ccc2nc(-c3ccc(OCCCCC)c(OC)c3)[nH]c2c1 1873504192 LKXJIQLOATZSBD-UHFFFAOYSA-N 433.552 5.622 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)c(Cl)c2)cc2c(NCCCOC(C)C)ncnc21 1873628845 VWPKBLZFHYZKFJ-UHFFFAOYSA-N 441.963 5.058 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3cc(Cl)cc(Cl)c3)c(=O)oc2c1C 1873945480 XFXHQZLJLINQEN-UHFFFAOYSA-N 446.330 5.853 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccc(N(CC)CC)cc3)c(=O)oc2c1C 1873949090 ZNVYNKPSLFGADM-UHFFFAOYSA-N 448.563 5.392 30 10 IKEE CSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1c(F)cccc1Cl 1874224874 GYBOADGVRCVCRH-ZMOGYAJESA-N 432.952 5.303 30 10 IKEE CCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccccc1OC(C)C 1874283179 UBQYRVZTHBHHKK-BUVRLJJBSA-N 428.989 5.498 30 10 IKEE C=CCSc1nnc(COc2ccc(OC)cc2)n1/N=C/c1cccc2ccccc12 1874293721 QQHKXXKXXPDPLE-PCLIKHOPSA-N 430.533 5.179 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OCC)cc2)n1/N=C/c1c[nH]c2ccccc12 1874303615 IZTXONWOALBWKQ-CVKSISIWSA-N 431.565 5.299 30 10 IKEE COc1ccccc1CCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1ccc[nH]1 1874314267 KXLWSDWFDWMKET-JVWAILMASA-N 445.592 5.191 30 10 IKEE C(=N/n1c(CCCOc2ccccc2)nnc1SCCc1ccccc1)\c1cccs1 1874316046 YQYUOLQIEZWZBL-NCELDCMTSA-N 448.617 5.568 30 10 IKEE CCc1ccc(/C=N/n2c(Cc3ccc(Cl)cc3)nnc2SCc2ccccc2)cc1 1874342252 GWKJZXAUDGLYRJ-WPWMEQJKSA-N 447.007 6.259 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3cccc(C)c3)nnc2[C@H](C)c2ccccc2)c1 1874394538 OVEHLLYCYULNOJ-ADIMLFFHSA-N 426.589 6.221 30 10 IKEE COc1ccccc1/C=N/n1c(CC2CCCCC2)nnc1SCCc1ccccc1 1874408023 BQEZYGMQZXFBSC-LGUFXXKBSA-N 434.609 5.627 30 10 IKEE Cc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1 1874411954 TVSWLWABRGAJID-OEAKJJBVSA-N 449.561 5.322 30 10 IKEE C=CCSc1nnc(-c2ccccc2)n1/N=C/c1ccc(OCCCC)c(OCC)c1 1874428897 HDVPYVYCYSGVPT-XIEYBQDHSA-N 436.581 5.683 30 10 IKEE CCSc1nnc(CC(C)(C)C)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874439352 XISLDRAFWAPXQJ-MFKUBSTISA-N 443.016 6.093 30 10 IKEE CC(C)(C)Cc1nnc(SCCc2ccccc2)n1/N=C/c1c(Cl)cccc1Cl 1874439675 MSIUXANELRPXCP-MFKUBSTISA-N 447.435 6.391 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(CC(C)(C)C)nnc1SCCc1ccccc1 1874439906 YWUUGOKTWAPXLH-NLRVBDNBSA-N 436.625 5.871 30 10 IKEE Clc1ccc(CSc2nnc([C@H]3CCCO3)n2/N=C/c2cccnc2)cc1Cl 1874450910 NBAROJHWCYABMW-TVSCDJBNSA-N 434.352 5.006 30 10 IKEE Cc1ccccc1CSc1nnc(C2CCCC2)n1/N=C/c1cccc2ccccc12 1874452283 NTCUPHLXNSLUMT-WPWMEQJKSA-N 426.589 6.572 30 10 IKEE CCCSc1nnc(CC(C)C)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874490640 BRCZIXAUOUNVCY-MFKUBSTISA-N 443.016 6.093 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1cccc(O)c1 1874492194 CTEHBBLPYHIBQR-FOKLQQMPSA-N 435.380 5.664 30 10 IKEE Fc1cccc(CSc2nnc(C3CCC3)n2/N=C/c2ccc(Cl)cc2Cl)c1 1874494423 LBQWPOCGVDKOOH-BHGWPJFGSA-N 435.355 6.166 30 10 IKEE CCOc1c(/C=N/n2c(SCCc3ccccc3)nnc2C2CCC2)cccc1OC 1874495937 MGRCGZOENVKDAG-KOEQRZSOSA-N 436.581 5.170 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc(O)cc1O 1874511393 WLVRAIKSLQYVJQ-LSHDLFTRSA-N 437.352 5.123 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2ccc(C(C)(C)C)cc2)c1 1874511905 QNWDTHJNLRUNAQ-CVKSISIWSA-N 449.624 5.620 30 10 IKEE Clc1ccccc1CSc1nnc(C2CC2)n1/N=C/c1c(Cl)cccc1Cl 1874519691 HGVYAVCFKVKNNS-AUEPDCJTSA-N 437.783 6.290 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCC(=O)N[C@H](C)c3ccccc3)nnc2C2CC2)cc1 1874523051 DHLFRVZBBMHHSB-GTPWMTBTSA-N 447.608 5.131 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OCc1ccccc1Cl 1874603387 VAOOWULIEFARSK-GXDHUFHOSA-N 432.947 6.703 30 10 IKEE CCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H](C)C1 1874647535 DEVNTDTWUMNLLO-RDPSFJRHSA-N 425.617 5.204 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)c2)cc1C 1874714087 CUMGXPQEFWVNTE-UKTHLTGXSA-N 444.487 5.393 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2cccc(OC)c2)CSc2nnc(C3CC3)n21 1874845793 PZWVQPHFGVLJSR-FQEVSTJZSA-N 428.602 5.226 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)cc3)c(OC)c2)cc1 1875108038 VDVZDQMBXXVQMY-GZTJUZNOSA-N 428.528 6.462 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccccc2OC)cc1Br 1875118619 GMFJRMOIZGQPQE-WYMLVPIESA-N 445.353 6.230 30 10 IKEE C[C@H](C(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1Cl)c1ccccc1 1875121009 VMMCEFROVVGVJO-USYSOWRXSA-N 426.846 6.223 30 10 IKEE O=C(Cc1ccccc1F)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 1875125932 IKNOMTFHNZIKNR-VZUCSPMQSA-N 439.826 5.432 30 10 IKEE O=C(Cc1ccccc1Cl)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1Cl 1875126221 VREREKXUSXVGNM-VZUCSPMQSA-N 445.729 6.691 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2Br)cc1C 1875128420 XZFKYZFTAFWHGV-ZRDIBKRKSA-N 449.344 6.110 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc(C)cc(C)c3)c([N+](=O)[O-])c2)cc1 1875130111 JYDMEOIUMGXGRF-VZUCSPMQSA-N 445.471 5.726 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2OC)cc1 1875139977 KGQOQJURBBENBP-RIYZIHGNSA-N 430.500 5.826 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)CC(C)(C)C 1875140795 YBQYFVHCJSGDLZ-ZHACJKMWSA-N 428.956 6.593 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(OC)c1OC(=O)c1cccs1 1875154050 LOOXCSUEXQUMCY-OUKQBFOZSA-N 444.508 6.034 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1cccc2ccccc12 1875154131 QENCRWIRSISKEY-JLHYYAGUSA-N 436.551 6.858 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C(F)(F)F)cc3)cc2)c(C)c1 1875182608 LWCOQLLVJCGZTG-AWNIVKPZSA-N 438.445 6.746 30 10 IKEE Cc1cc(CC(=O)Oc2ccc(/C=C/C(=O)c3cc(C(C)(C)C)ccc3C)cc2)ccc1F 1875184486 DDQVMXUOBSDADU-XNTDXEJSSA-N 444.546 6.784 30 10 IKEE N#Cc1cccc(NC(=O)NCCSc2cn(Cc3ccccc3)c3ccccc23)c1 1891851621 CSHSFYJUKGMBBV-UHFFFAOYSA-N 426.545 5.475 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C 1922107148 JSNSNVKFMMMGER-JWQCQUIFSA-N 436.596 5.100 30 10 IKEE COc1cccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)c1Br 1927307175 XCVHOPBJPCTSAZ-INIZCTEOSA-N 435.293 5.603 30 10 IKEE C=C(COCc1ccccc1)C(=O)c1cc(Br)cc(Br)c1OC 1978436129 YXINYIVIVPULHX-UHFFFAOYSA-N 440.131 5.176 30 10 IKEE CCCN[C@H](CC#C[Si](C)(C)C)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2014157756 FBNGNMOIURCUNP-PKTZIBPZSA-N 446.708 5.126 30 10 IKEE CC[C@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2014644558 JBHQRDWYMBBMHQ-DVECYGJZSA-N 435.609 5.628 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CCC(C)(C)N(C(=O)OC(C)(C)C)C1 2017964637 AINPKOZELFFZED-GOTSBHOMSA-N 430.633 5.553 30 10 IKEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1C 2045239492 HDTVVNBKYDBRMB-UQBPGWFLSA-N 443.588 5.666 30 10 IKEE C=C(F)C[C@H](NCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071344430 CBQUDCDEMQOLPT-RPLLCQBOSA-N 435.539 5.729 30 10 IKEE CC#CCCCC[C@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2075369788 HZBUVYSJPKZIIG-IGKIAQTJSA-N 441.660 5.108 30 10 IKEE Cc1ccc([C@H](C2CCC2)n2nc(C3(C)CC3)c(C#N)c2I)c(C)c1 2079051090 YPBXSXXXUSYVTG-SFHVURJKSA-N 445.348 5.417 30 10 IKEE CCc1nn([C@@H](c2cc(C)c(C)cc2C)C2CCC2)c(I)c1C#N 2079125450 RGRLMQDWMOXTOA-LJQANCHMSA-N 433.337 5.237 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Br)c(Cl)c1C 2082802839 UXHHBCAEALASJE-AWEZNQCLSA-N 431.758 5.209 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H]3C[C@H](OCc4ccccc4)C[C@H]32)cc1 2133968247 KHABTUDYKULCHN-BUQBWPEYSA-N 448.563 5.714 30 10 IKEE CCCC#CC[C@@H](NCCC)c1cc(I)ccc1Br 2138962831 ITZAFOZRKXROAV-MRXNPFEDSA-N 434.159 5.288 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc2c(c1)N(c1cccc(Br)c1C#N)CCC2 2174810083 IBQOZSOOJZOCCZ-UHFFFAOYSA-N 428.330 5.752 30 10 IKEE Cc1ccc(C(=O)Nc2cc(Br)ccc2C#N)cc1NC(=O)OC(C)(C)C 2181142932 BOKNWTIODHWGAS-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE CC(C)(C)OC(=O)NCc1ccc([C@@](C)(C#N)Nc2ccc(Br)cc2)cc1 2187544774 VTNNHSRSWFFAGD-OAQYLSRUSA-N 430.346 5.325 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CC[C@H]2Nc2cc(Br)cc(F)c2C#N)CC1 2189329418 UBNLIWAHSPJQQV-QGZVFWFLSA-N 438.341 5.051 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(C#N)c(Br)c2F)C[C@H]1C1CC1 2198268198 ZJULAYZJFQNQGQ-HOCLYGCPSA-N 438.341 5.050 30 10 IKEE C=CCC[C@](C)(CO)N(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1F 2211067308 UPUKMVUZFRKCOL-MUUNZHRXSA-N 445.534 6.298 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)CC1(NC(=O)OC(C)(C)C)CCC1 2235747902 UNXOTVJNSOFSDH-GOSISDBHSA-N 435.406 5.006 30 10 IKEE CCCCCCC[C@H](NC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237421184 BUIYJPCYZHHKAN-PMACEKPBSA-N 441.454 5.833 30 10 IKEE Cc1sc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)[C@H](C)C2CC2)c1C 2255636783 ZGKSPVNUVAMTDB-QGZVFWFLSA-N 439.430 5.105 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Cl)cc([C@H](N)C#Cc2ccc(Br)cc2)c1 2278809395 LUEOWOZFEKLDEG-GOSISDBHSA-N 435.749 5.501 30 10 IKEE Brc1csc(CN=C2N[C@]3(CS2)C[C@H]2CC[C@H]3C2)c1Br 2283939430 FAHMDBJYDBHXRH-FZNYLWTLSA-N 436.238 5.024 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)[C@H]2Nc1cc(Br)ccc1C#N 2285783322 XDFCZEKSDQMRGB-RTGNKSGBSA-N 434.378 5.205 30 10 IKEE C=CCCC1([C@@H](NC)c2cc(F)cc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2288344303 IGAYEAHVPYBMID-KRWDZBQOSA-N 445.348 5.191 30 10 IKEE CCCCCCCc1ccc(C=Cc2nc(-c3ccc(Br)cc3)no2)cc1 2293294631 WOTGGVUJGZIZEF-UHFFFAOYSA-N 425.370 7.182 30 10 IKEE CN1C(=C2SC(=Nc3cccc(O)c3)N(C3CCCCC3)C2=O)Sc2ccccc21 2295178617 FNCMHXRZFSKYSF-UHFFFAOYSA-N 437.590 5.699 30 10 IKEE Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)cc1Cl 2296208186 OGZLREXKACVGNC-DEOSSOPVSA-N 445.946 6.398 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3cc(OCC(=O)c4ccc(Cl)cc4)ccc3C2=O)cc1 2314437158 DVYFHCXJWFDJQF-UHFFFAOYSA-N 446.930 6.515 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(OCc2ccccc2)cc1 2314452860 RBPILMVPFYANTG-JWQCQUIFSA-N 436.596 5.613 30 10 IKEE COc1ccc(OC)c(C=C2SC(=Nc3nc(-c4ccccc4)cs3)N(C)C2=O)c1 2314544269 XJAWADTUPTXANT-UHFFFAOYSA-N 437.546 5.061 30 10 IKEE CCCCCCCCC=CCCCCCCCC(=O)ON1C(=O)c2ccccc2C1=O 2317780893 KFYVCOHFFRLTQP-UHFFFAOYSA-N 427.585 6.778 30 10 IKEE CCCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(Br)cc1 2318571977 XNPNIRODNSUTDP-UHFFFAOYSA-N 433.350 5.307 30 10 IKEE COc1cccc(C=Nn2c(S)nnc2C2CC2)c1OCc1ccc(Cl)c(Cl)c1 2321884528 YJISYSPYOYFPQB-UHFFFAOYSA-N 449.363 5.221 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1c(F)cccc1Cl)O3)CN(C1CCCCCC1)CO2 2322079829 YDPUTIUREPAVSS-UHFFFAOYSA-N 441.930 6.278 30 10 IKEE CCCOc1c(C=CC(=O)c2ccc3ccccc3c2)cc(Br)cc1OC 2322328454 PGOXVWVVDIAAIF-UHFFFAOYSA-N 425.322 6.296 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 2322335697 RLQJXFOLXDIBRS-UHFFFAOYSA-N 437.366 7.347 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCC)cc1OCCC 2322502810 HPHHYTVHSJDLDE-UHFFFAOYSA-N 432.944 6.221 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2cccc(Cl)c2)c1OCC(=O)OCC(C)C 2322524949 LNAXENDDWOOETD-UHFFFAOYSA-N 437.319 5.476 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1C 2322646551 QSLJVQRJNNYYCO-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)OCC(C)C)c1C 2322842727 MNJGOWVUPZWSIJ-UHFFFAOYSA-N 428.956 6.048 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccccc1OCC(=O)Nc1ccccc1 2322926796 JCMMZIMXWIWMFU-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE COc1cccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)c1OCc1ccc(F)cc1 2322969275 NKFFWFAOTDCPPI-UHFFFAOYSA-N 432.535 6.915 30 10 IKEE CCOc1c(OC)ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)c1Br 2323229860 DQOSWZYCZUVCAY-UHFFFAOYSA-N 447.369 6.059 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OCC(=O)NC3CCCCC3)c2)cc1C(C)C 2323232150 IICHNIITQNEUQA-UHFFFAOYSA-N 449.591 5.851 30 10 IKEE CCc1ccccc1NC(=O)COc1cccc(C=CC(=O)c2ccc(OC)c(C)c2C)c1 2323248431 OYEMYYZZZIKSOV-UHFFFAOYSA-N 443.543 5.788 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3ccc(C)cc3C)c2)c(OC)c1 2323283226 IBLKLNVXRGXSSC-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc1OCc1ccccc1C 2323295741 MWDFAZJAFZTIRK-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1OCc1cccc(F)c1 2323303106 IWAISWXFFCUNSG-UHFFFAOYSA-N 432.535 6.915 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2F)C3=O)cc1[N+](=O)[O-] 2323332014 KVKICBPJNYOUHM-UHFFFAOYSA-N 433.391 5.186 30 10 IKEE O=C(C=Cc1ccc(Cl)cc1Cl)Oc1ccc2c(c1)OC(=Cc1cccnc1)C2=O 2323461083 WGFGYKQJWGIBGU-UHFFFAOYSA-N 438.266 5.623 30 10 IKEE O=C(C=Cc1ccc(OCCc2ccccc2)c(Br)c1)c1ccccc1Cl 2323603598 XUDCUVJWALPFME-UHFFFAOYSA-N 441.752 6.620 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(OC)c(OCc3cccc(F)c3)c(OC)c2)cc1 2323831355 ZQUNOLMYIKYXGD-UHFFFAOYSA-N 436.479 5.717 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCc3cccc(F)c3)c(Br)c2)cc1 2323900904 NJKFRPZHMSNSPN-UHFFFAOYSA-N 425.297 6.372 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)ccc1F 2323970567 WBRSVNJBDRYLMR-UHFFFAOYSA-N 441.861 5.840 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(Br)c1OCCCO 2324171721 HENYLAWYOWJNQE-UHFFFAOYSA-N 447.369 5.629 30 10 IKEE C[C@H](Oc1ccc2c(c1)OC(=Cc1ccco1)C2=O)C(=O)Nc1ccccc1C(F)(F)F 2324356333 IWVNYJNSAWRCML-ZDUSSCGKSA-N 443.377 5.321 30 10 IKEE CCOc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccccc3Cl)cs2)cc1OC 2324425944 LDFRDTWVZBICKA-QGZVFWFLSA-N 438.936 5.760 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3cc(C)ccc3C)c(Cl)c2)cc1Cl 2324610171 ZTBWRYGPGJTASS-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE CCCCCCCCCOc1ccc2c(c1C)OC(=Cc1c(Cl)cccc1Cl)C2=O 2325195986 LPJIAOMDDPOOON-UHFFFAOYSA-N 447.402 8.047 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2N=Cc2sccc2C)cc1 2325435554 SKARORHHMXDYLR-UHFFFAOYSA-N 432.618 5.916 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OCC(=O)Nc3c(C)cccc3C)c2C)C1=O 2325502759 SMRNBBLSRCPRMC-UHFFFAOYSA-N 427.500 5.554 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(F)c(Cl)c2)cc2c1C(=O)C(=Cc1cccs1)O2 2325592868 CGRZOJWBTUVBNF-UHFFFAOYSA-N 443.883 5.483 30 10 IKEE CCN(CC)CCOc1cc(C)c2c(c1)OC(=Cc1cn(CC)c3ccc(OC)cc13)C2=O 2325703770 IIIBCALHHANSJV-UHFFFAOYSA-N 448.563 5.315 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1OC(=O)[C@H](C)c1ccccc1 2325746181 RTFKEQPZLMLCQN-HXUWFJFHSA-N 442.555 6.598 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1ccc(OC)cc1 2325909824 GHPHRNIQCPCXDP-UHFFFAOYSA-N 449.363 5.333 30 10 IKEE CCCSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1sccc1C 2325965139 ACZWTVPREHXPGI-UHFFFAOYSA-N 435.416 5.386 30 10 IKEE CCCc1ccc(OCc2nnc(SC)n2N=Cc2cccc(Br)c2)cc1 2327320558 ANOBARJGWSLUCB-UHFFFAOYSA-N 445.386 5.176 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1cccc([N+](=O)[O-])c1 2328179651 SIHYZAJVGTYIMX-UHFFFAOYSA-N 427.574 5.811 30 10 IKEE Oc1ccccc1C=Nn1c(SCc2ccccc2F)nnc1-c1ccccc1Cl 2329576912 LTTRUGWCLCBNQH-UHFFFAOYSA-N 438.915 5.618 30 10 IKEE Clc1ccccc1-c1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc[nH]1 2329602962 YYDKDCKSUMSIKH-UHFFFAOYSA-N 443.963 6.254 30 10 IKEE C=CCSc1nnc(CC2CCCCC2)n1N=Cc1cccc(OCc2ccccc2)c1 2330276418 FXCHLCRZEZLELW-UHFFFAOYSA-N 446.620 6.140 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1C 2330621484 QBVSGQWIWRXQDA-UHFFFAOYSA-N 431.444 5.092 30 10 IKEE COc1cc(C=Nn2c(SCc3ccc(C)cc3)nnc2-c2ccccc2)ccc1O 2330625310 YSIWPJUVIIQVHO-UHFFFAOYSA-N 430.533 5.142 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)C(c3ccccc3)c3ccccc3)cc2)c1 2330775757 GJRPJHJHOYWTCY-UHFFFAOYSA-N 448.518 6.329 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1OC 2330824134 OCZPCDPRXZULJJ-UHFFFAOYSA-N 435.347 6.774 30 10 IKEE C[C@H](C(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1Cl)c1ccccc1 2331143880 BLKYCCMSZDLLFL-INIZCTEOSA-N 425.311 6.599 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2[N+](=O)[O-])cc1 2331149829 ZJPYMKODNRYRHA-UHFFFAOYSA-N 435.863 5.926 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCc3ccccc3F)nnc2-c2ccco2)cc1 2331208153 LPGQDJSQHAASSZ-UHFFFAOYSA-N 449.555 5.698 30 10 IKEE FC(F)(F)c1ccc(C=Nn2c(SCCc3ccccc3)nnc2-c2ccco2)cc1 2331210396 BFBPLRXEDOONSF-UHFFFAOYSA-N 442.466 5.774 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1ccccc1F 2331504125 PBJDMLVFKOTAEZ-UHFFFAOYSA-N 432.491 6.463 30 10 IKEE Cc1ccccc1C=Nn1c(SCC(=O)Nc2c(C)cccc2C)nnc1C1CCC1 2331510515 RGSVOQFZWXICNH-UHFFFAOYSA-N 433.581 5.084 30 10 IKEE COc1ccc(OC)c(C=Nn2c(SCc3cc(C)ccc3C)nnc2C2CCC2)c1 2331523204 HRFCATHFRHJEHK-UHFFFAOYSA-N 436.581 5.354 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2c(F)cccc2Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 2331530136 CRGBBKBDBCTISA-UHFFFAOYSA-N 443.789 5.642 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1[N+](=O)[O-])c1ccco1 2331860576 BEWPNWXBAZMOFI-UHFFFAOYSA-N 432.215 5.610 30 10 IKEE CC(C)(C)OC(=O)NCCCCCCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339574137 DAGYQCDWUNXAGE-CCEZHUSRSA-N 446.397 5.190 30 10 IKEE CCCC[C@H](CNC(=O)OC(C)(C)C)Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339587492 VPMYCLYMZHASEF-LJQANCHMSA-N 445.413 5.222 30 10 IKEE C=CCC(CC=C)[C@@H](NC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2364011138 IVMISYPFLPPIBG-WOJBJXKFSA-N 437.422 5.241 30 10 IKEE CC1(C)OB(c2ccc(COc3ccc(Cl)c(F)c3)cc2Br)OC1(C)C 2377329165 JLLRIDKRHOIDGL-UHFFFAOYSA-N 441.533 5.120 30 10 IKEE CCCCCCCCCCOc1ccc(C2=N/C(=C/c3ccc4c(c3)OCO4)C(=O)O2)cc1 1948942 AMRQYSSERUQRDI-HAVVHWLPSA-N 449.547 6.279 30 10 IKEE C[C@H](C#N)Sc1nnc(-c2cc(-c3ccccc3)nc3ccccc23)n1-c1ccccc1 9395431 BOFNDNKHCOQHSD-GOSISDBHSA-N 433.540 6.154 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(Cl)c(Cl)c2)C3)cc1 21228950 PETKWNXBZSBFMZ-RDJZCZTQSA-N 430.331 5.396 30 10 IKEE CCCOc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(OC(C)C)cc1)C2 21233493 MKMZJFXKLQVVJP-DENIHFKCSA-N 433.548 5.267 30 10 IKEE C/C(=N/OCc1ccc(F)cc1)c1cc(-c2ccc(F)cc2)n(-c2cccc(C)c2)c1C 35843450 KGTGRMXNKHFKTM-FSGOGVSDSA-N 430.498 6.980 30 10 IKEE C/C(=C1/S/C(=N/c2ccncc2Cl)N(C2CCCCC2)C1=O)c1ccc(N)cc1 39864653 CGNCFGQGGLFOPT-SMAGERFBSA-N 426.973 5.644 30 10 IKEE CC[C@H](C)Oc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(C(C)(C)C)cc1)C2 59531670 BYMNWWZJXKGFIL-NOXFTYBFSA-N 445.603 6.166 30 10 IKEE CC/C(C)=N/Nc1nc2cc(C)c(NC(=O)COc3ccc(OC)cc3)c(C)c2s1 78400666 TWNQBMKEULCGJN-AFUMVMLFSA-N 426.542 5.137 30 10 IKEE CCCCCCCCCCn1c(CCCNC(=O)c2ccc(F)cc2)nc2ccccc21 102154990 ZWOFEBQRGNRFPH-UHFFFAOYSA-N 437.603 6.679 30 10 IKEE C=C[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1 148834815 IFKBNLONMTWHJO-UODIDJSMSA-N 430.544 5.062 30 10 IKEE COc1ccc(N/N=C/c2cc(Br)cc(Br)c2OC)cc1Cl 169877094 UWNFSOQHKRNAHF-UFWORHAWSA-N 448.542 5.328 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccccn1 169994456 STELJORMHVJXCR-QFIPXVFZSA-N 444.874 5.573 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@H]1c1ccccn1 169994672 MEHASUYBFQZCNZ-HSZRJFAPSA-N 432.907 5.145 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccccc2C)c1 170088107 BWGMKXBQQWGVNG-QHCPKHFHSA-N 433.454 5.673 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2sccc2C)c1 170105026 ABJWFEMZKXEUOU-NRFANRHFSA-N 433.529 5.465 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(OC)cc1 170116423 OTPFDNLZGHYBCN-HSZRJFAPSA-N 437.536 5.027 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)c(Cl)cc2OC)[C@H]1c1cccc(C)c1 170146702 LVDXZEDPYDJQIP-OAQYLSRUSA-N 443.927 5.044 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(OC(C)C)cc1 170152482 IKWLKVOFUVZVNK-XMMPIXPASA-N 429.516 5.615 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2cccs2)cc1C 170158044 ZJFCQUJCNMUYCV-FQEVSTJZSA-N 434.473 5.056 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1cccnc1)c1ccc(Cl)cc1 170188544 FLTCFHAITFHSNV-IBGZPJMESA-N 425.271 5.171 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccncc1)c1ccc2ccccc2c1 170204195 OFYKTCPCPLGSLA-HSZRJFAPSA-N 440.886 5.671 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@@H]1c1cccc(OCC)c1 170218508 YRUQHWGJYQAXCX-DEOSSOPVSA-N 449.547 5.179 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccccc2)cc1 170228497 YMDLDZUJBQGQFM-XMMPIXPASA-N 438.483 5.130 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccc2)cc1 170228823 MMXPIPJMSRAJDO-DEOSSOPVSA-N 427.500 5.567 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2ccccc2)c1 170229040 DUAITDBSGPVILZ-QFIPXVFZSA-N 435.426 5.146 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccccc2)cc1 170234316 CJMUXQBGKAXTHN-HSZRJFAPSA-N 431.463 5.003 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(F)cc1)c1cccc2ccccc12 170242299 ZECMEBBSZRJNCI-XMMPIXPASA-N 429.491 5.890 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2ccccc2)cc1 170265502 UXLCBCSMCUFESS-RUZDIDTESA-N 441.527 5.819 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cc(OC)ccc3Cl)=C(O)C(=O)N2c2ccccc2)cc1 170265512 XMIHXNAECABOIN-QHCPKHFHSA-N 447.918 5.694 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2C)ccc1Cl 170272015 YHWFZISITQSJSN-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccccc1C 170278587 XKKTUVIQROKDMH-NRFANRHFSA-N 439.939 5.486 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccco1 170287483 YPRLFSRVHNMQJT-QHCPKHFHSA-N 445.515 5.677 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@H]2c2ccco2)s1 170288489 FLQLCQKFVOOBBE-KRWDZBQOSA-N 428.897 5.098 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(C)o2)cc1C 170299853 QYJACVOAIRVMSU-QFIPXVFZSA-N 435.451 5.135 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2c2ccc(C)c(C)c2)o1 170301642 HJGZYHDXQWLBRX-XMMPIXPASA-N 445.515 5.775 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2sccc2C)cc1 170315318 ASFVVFOKWYKPCC-KSFYIVLOSA-N 445.540 5.471 30 10 IKEE Cc1cc(C)c2oc(-c3cccc(N=Cc4cc(Cl)cc([N+](=O)[O-])c4O)c3C)nc2c1 252606507 GSYULFHLJQLGPA-UHFFFAOYSA-N 435.867 6.438 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2ccc(C=NNC(=S)Nc3ccccc3)cc2)cc1 254396656 ZBAQJLCOJTVOJR-UHFFFAOYSA-N 431.561 5.524 30 10 IKEE CCCCCCOc1ccc(C=NN=Cc2ccc(OCCCCCC)cc2O)c(O)c1 254522472 MOIWEMXEOCCSMZ-UHFFFAOYSA-N 440.584 6.469 30 10 IKEE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C(=N[N+](=O)[O-])CCC[C@]4(C)[C@@H]3CC[C@]12C 254555254 ZJFYDPFCQFKJHC-AILPRTSUSA-N 430.677 7.740 30 10 IKEE COc1cc([N+](=O)[O-])cc(C=Nc2ccc3oc(-c4ccc(C(C)(C)C)cc4)nc3c2)c1O 254699750 XPIIILUAORFPGR-UHFFFAOYSA-N 445.475 6.165 30 10 IKEE COc1ccc(N=C(N2CCCCC2)[P@@](=O)(N2CCCCC2)N(C(C)C)C(C)C)cc1 263621579 CVZBIJNKNBIRMM-WJOKGBTCSA-N 448.592 5.966 30 10 IKEE CC1(C)OB(c2cc(CN(Cc3ccccc3)Cc3ccccc3)ccc2F)OC1(C)C 381499052 NYGHAMQSNJGQPI-UHFFFAOYSA-N 431.360 5.327 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(/C=C\C(=O)c2c(F)ccc(Br)c2F)cc1 405928996 RDUDWZXZHFPHAT-WDZFZDKYSA-N 438.268 5.970 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3ccc(OCc4ccccc4)cc3)[C@@H]2c2ccco2)c1 526521929 NVNQDOLPEYUICC-SANMLTNESA-N 448.478 5.787 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@H]2c2cccc(Cl)c2Cl)c1 526523328 XBUFLMVAAMEWQO-OAQYLSRUSA-N 439.273 6.061 30 10 IKEE CCc1nnc(SCc2ccc(C(=O)OC)cc2)n1/N=C\c1ccc(Cl)cc1Cl 526827749 FZQVWYMYSUWRQN-KSEXSDGBSA-N 449.363 5.108 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(CC#N)c2ccc(Br)cc2)cc1 586233154 JWOHZFAUZZFZPX-UHFFFAOYSA-N 435.387 5.291 30 10 IKEE CCCCCCCC[C@@H](O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 686843725 FSRIPMHHAQGLMV-XMMPIXPASA-N 446.676 6.048 30 10 IKEE CCCCCCC[C@H](NC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 693663256 WUPBSJYXWVPLEQ-QHCPKHFHSA-N 431.665 5.494 30 10 IKEE CCOc1cccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)c1 698443590 KCGLALUWPVVKSE-IBGZPJMESA-N 431.330 5.854 30 10 IKEE CC(C)[C@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 698902216 LCPNJLLHYMGCMW-RBUKOAKNSA-N 435.540 5.256 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1 698924265 SBUFMXMUHIFPEK-RUZDIDTESA-N 444.531 6.281 30 10 IKEE COc1ccc(-c2nc(SCCOc3c(Cl)cccc3Cl)nc(O)c2C#N)cc1 824947987 NOKWTRQWPSICSZ-UHFFFAOYSA-N 448.331 5.207 30 10 IKEE O=C(/C=C\c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc(C2CCCCC2)cc1 1081102057 COQSTYJJLXBXGJ-GRSHGNNSSA-N 430.975 7.863 30 10 IKEE CCCCCCCOc1ccccc1C=NNc1nc(-c2ccc(Cl)cc2)cs1 1084230805 KTRHQQGWHYFTTI-UHFFFAOYSA-N 428.001 7.259 30 10 IKEE CC(=NNc1nc(SCCCCOC(=O)C(C)(C)C)n[nH]1)C12CC3CC(CC(C3)C1)C2 1084624740 DXHHYDWEXPYTBB-UHFFFAOYSA-N 447.649 5.271 30 10 IKEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCc2c(ccnc2O)C1 1359183248 GUJCLDIRKDKFDW-OAQYLSRUSA-N 431.584 5.086 30 10 IKEE CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(C)cc2)SC1=Nc1ccccn1 1772731687 PRZAIJWJVWDKRD-MTTLQMSQSA-N 429.545 5.593 30 10 IKEE Cc1cccc(N=C2S[C@@H](CC(=O)c3ccc(C)c(C)c3)C(=O)N2c2cccc(C)c2)c1 1772759846 AOHBXJPQGZQVQM-VWLOTQADSA-N 442.584 6.329 30 10 IKEE N#CCc1ccc(-c2ccccc2OC(F)(F)F)nc1-c1ccccc1OC(F)(F)F 1848361969 VDIXSTFTKDSPHU-UHFFFAOYSA-N 438.327 6.279 30 10 IKEE COc1cccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)nn2Cc2cccc(Cl)c2)c1 1859403505 MMUHTRWXAHBLNR-UHFFFAOYSA-N 442.906 5.384 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccccc2)cc1 1862387810 TXRKISCQKBPEGH-DEOSSOPVSA-N 426.516 5.203 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccccc2C)cc1 1862389568 IRJZOKHGDVFUDZ-RUZDIDTESA-N 440.543 5.511 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CC(C)C)cc1 1862421757 PAJADDNTNFJGNV-QFIPXVFZSA-N 443.490 5.378 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc(F)c1 1862431027 XYWQLIIXJPYRLS-QRQCRPRQSA-N 435.882 5.819 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1Br 1862452697 IPUMCNLKSCGAIO-SFHVURJKSA-N 448.744 5.337 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cccc(Cl)c1)c1c(F)cc(F)cc1F 1862464366 VOBZNMLDTICFEU-FQEVSTJZSA-N 449.856 5.668 30 10 IKEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccccc2)cc1 1862487003 QBMAQQXQOQLWSC-DFBJGRDBSA-N 441.527 5.652 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccccc1C 1862490525 XSAZGFFKWAYIHQ-OFVILXPXSA-N 433.592 6.549 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccccc1F)c1cccc(Br)c1 1862524203 YYINXSRYCPBZHN-LJQANCHMSA-N 444.300 5.109 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 1862538515 IOUMYOGVKRYCMQ-OAQYLSRUSA-N 445.481 6.036 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 1862538730 LBGRNKKGWHRFIF-XCLFUZPHSA-N 432.347 5.933 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1c(F)cccc1Cl 1862549393 NZOMXMXJEMILEE-OAQYLSRUSA-N 427.903 5.345 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1F 1862638956 NRPUFBYMHWMVPD-NPMXOYFQSA-N 449.453 5.313 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCC)cc1 1862645773 QHEIIESCGVCIKQ-QFIPXVFZSA-N 441.499 5.002 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)cc1 1862649134 QVHIIHBSHXBHAG-GJQIQAERSA-N 439.555 6.305 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cc(Cl)cc(Cl)c1 1862658593 SFQWDZVCRTUEBT-OAQYLSRUSA-N 438.310 5.911 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2Cl)c1 1862675067 ARIXVHLGMDQUHJ-QHCPKHFHSA-N 449.909 5.874 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccc(C)cc2)cc1 1862686713 CQMBVPRXCYHIEU-XMMPIXPASA-N 431.532 5.472 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)cc1 1862713116 HMLVCRHOFGPQBK-YQIFXUADSA-N 439.555 6.305 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C(=O)N1CCC1=CCCCC1 1862747762 VGXRSDPEUKFSPG-HSZRJFAPSA-N 446.503 5.372 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccccc3Cl)C2=O)c1 1863067457 ONTKAYGQJMJFSR-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(F)c(C)c2)C1=O 1863461199 XMILAUIJGDGKPG-UHFFFAOYSA-N 433.527 5.558 30 10 IKEE C=CCN1C(=O)C(NCCCCCCCCCC)=C(c2ccc(Br)cc2)C1=O 1863559813 CTDXRUCVLNOVTE-UHFFFAOYSA-N 447.417 5.445 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCC(C)C)=C(c2ccc(OC)cc2OC)C1=O 1863753748 PBDDEKLARYDUKZ-UHFFFAOYSA-N 444.616 5.170 30 10 IKEE CCCC[C@@H](NC(=O)C[C@H](c1ccc(Cl)cc1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866764639 WFWUMSWXLKNZSV-XZOQPEGZSA-N 439.987 5.655 30 10 IKEE CC[C@H]1Cc2cc(OC)ccc2N(c2cc(Nc3ccccc3C#N)nc(CCOC)n2)C1 1868262261 PHFRCHUERHZTGH-SFHVURJKSA-N 443.551 5.010 30 10 IKEE CCc1nc(Nc2ccc(C#N)cc2)cc(N2CCc3cc(C)ccc3[C@H]2CC(C)C)n1 1868291132 ILIKZHLEUPYYEJ-XMMPIXPASA-N 425.580 6.113 30 10 IKEE Cc1c(Cl)cccc1-n1nnc(C#N)c1NC(=O)[C@@H](Cc1ccccc1)c1ccccc1 1870147874 KZBFQNPLGNITDV-FQEVSTJZSA-N 441.922 5.066 30 10 IKEE N#Cc1nnn(-c2ccc(Nc3ccccc3)cc2)c1NC(=O)c1ccc(C(F)(F)F)cc1 1870148875 DWZRYDJNNCBPLF-UHFFFAOYSA-N 448.408 5.154 30 10 IKEE C=CCn1cc(OCc2cccc(C)c2)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870168823 HALNDLCLAYRPGS-UHFFFAOYSA-N 445.588 5.406 30 10 IKEE CCCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSCc1ccccc1 1870232971 RDRUZLIBHUZTIW-UHFFFAOYSA-N 446.616 6.313 30 10 IKEE CCCCCCCCCCn1cc(OCCCC(=O)OCC)c(=O)cc1CSCC 1870241604 GIYPWJWHJRRDNJ-UHFFFAOYSA-N 439.662 5.964 30 10 IKEE C=CCOc1cn(Cc2ccc(F)cc2)c(CSc2nc3ccccc3s2)cc1=O 1870244390 MVIMIEUUJDPTDG-UHFFFAOYSA-N 438.549 5.503 30 10 IKEE C#CCOc1cn(CCCCc2ccccc2)c(CNc2cc(Cl)ccc2C)cc1=O 1871007368 ZGDQDEPBLRXRSH-UHFFFAOYSA-N 434.967 5.457 30 10 IKEE C=CCn1cc(OCc2ccccc2Cl)c(=O)cc1CNc1ccc(C(C)(C)C)cc1 1871241932 HHRMLWPIAKZFMT-UHFFFAOYSA-N 436.983 6.176 30 10 IKEE Cc1cc(OC(=O)CCCOc2ccccc2)cc2c1C(=O)/C(=C/c1cccc(Cl)c1)O2 1871370885 FMEIAEWDABNLHJ-HAHDFKILSA-N 448.902 6.029 30 10 IKEE Cc1c(OC(=O)Cc2ccc(Cl)c(Cl)c2)ccc2c1O/C(=C\c1ccncc1)C2=O 1871376937 MJVADXHOEGAJMA-JAIQZWGSSA-N 440.282 5.461 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)/C(Cl)=C/c4ccccc4)c3C)C2=O)cc1 1871377287 DJCSLRJKABUKCJ-NNCOSQCDSA-N 446.886 5.805 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(=O)c(-c4ccccc4OC)c(C)oc3c2)c1 1871388928 PNAQCCWXDXCMFT-UHFFFAOYSA-N 442.467 5.561 30 10 IKEE CCc1ccc(NC(=O)[C@@H](CC)Oc2cc(C)c3c(c2)O/C(=C\c2ccco2)C3=O)cc1 1871426358 ZCIQOLGKQSYKOQ-VLDJDNEVSA-N 431.488 5.563 30 10 IKEE CCc1ccccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccccc1OC)C2=O 1871459352 WWKLRWOBZJIFGI-OYKKKHCWSA-N 443.499 5.200 30 10 IKEE C=CCN(CC=C)c1nc(=NCCCCc2ccccc2)nc(Nc2ccc(Cl)cc2)[nH]1 1871523914 JRCIYSFRICOASX-UHFFFAOYSA-N 449.002 5.304 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)CCCC 1872427750 MPBJLDLMUFLSCE-FQEVSTJZSA-N 429.026 5.154 30 10 IKEE C=C(C)CN([C@@H](CC)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1cc(C)ccc1C 1872433816 KWTNRNWLQRDHGP-NRFANRHFSA-N 449.016 5.249 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)c(Cl)c3)n2)cc1OC 1872761554 PXOOKLUJUSJRHW-ZDUSSCGKSA-N 433.316 5.624 30 10 IKEE Cc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1C 1872762869 YMCXYFTWAXKQFN-QGZVFWFLSA-N 431.344 5.989 30 10 IKEE Cc1ccc(C)c(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Br)cc3)cs2)c1 1872765569 RTKJVLHBGKZHDK-GOSISDBHSA-N 425.351 5.608 30 10 IKEE CC(C)c1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccccc3C(C)C)n2)cc1 1872776736 WGDKMIUHSLMYOK-GCJKJVERSA-N 432.589 6.701 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@H](C)CC)=C(c2ccc(-n3cccc3)cc2)C1=O 1873040136 SGTPFGHAYGEMRW-JOCHJYFZSA-N 449.639 6.086 30 10 IKEE CCCCCCCCCCNc1cnn(-c2ccc(Br)cc2)c(=O)c1Cl 1873524557 ZUODNIJWZVZYDG-UHFFFAOYSA-N 440.813 6.201 30 10 IKEE CCCCOc1ccc(/C=N/Nc2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)cc1 1873526398 CQZVMGTWKOBSTD-ZMOGYAJESA-N 431.323 5.164 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(Cl)c2C)cc2c(NCCc3ccccc3)ncnc21 1873607508 VARQMINFVNPTKH-UHFFFAOYSA-N 445.954 5.486 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(Oc3ccccc3)cc1)n2CC=C 1873615178 MGAUOBYMWDXHTO-UHFFFAOYSA-N 425.492 5.260 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccccc1)n2CCC 1873629280 UOPJFMIGSRXIPE-UHFFFAOYSA-N 435.616 6.646 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(CCCC)cc2)cc2c(NCCCCCCO)ncnc21 1873643391 NQFUPWXSKMBQKD-UHFFFAOYSA-N 449.599 5.177 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1c[nH]c2ccccc12 1874252287 KDZDMXYNXIFFBX-JVWAILMASA-N 445.592 5.630 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)cc3)n2/N=C/c2ccc(F)cc2F)cc1 1874386440 PLJOWOHZLKXQJP-RWPZCVJISA-N 448.542 5.938 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccccc2F)c1 1874408126 ICGOFDMFNIGYPP-CVKSISIWSA-N 438.572 5.729 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccccc1F 1874440371 XRWSDYVSLOJIGV-JVWAILMASA-N 432.568 6.334 30 10 IKEE Cc1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1 1874451790 PADGYVQPXPWWGW-YDZHTSKRSA-N 437.525 5.032 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C2CCCC2)c(O)c1 1874458906 LZHDFGFETQZANS-BHGWPJFGSA-N 446.935 5.314 30 10 IKEE CCSc1nnc(-c2ccco2)n1/N=C/c1ccc(OCCc2ccccc2)c(OC)c1 1874464872 GVQVAANOQMPJSX-KOEQRZSOSA-N 448.548 5.162 30 10 IKEE Oc1ccc(Cl)cc1/C=N/n1c(SCc2ccccc2Cl)nnc1C1CCC1 1874495952 NHPVUMBDRHXYEK-FOKLQQMPSA-N 433.364 5.733 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(OC)c(OC)c1 1874510828 XLSYCSDFIUEQAK-YDZHTSKRSA-N 430.961 5.076 30 10 IKEE COc1cc(/C=N/n2cnnc2SCc2ccc(Cl)c(Cl)c2)cc(Cl)c1O 1874540821 ZWXGNHWVYONKID-QPJQQBGISA-N 443.743 5.127 30 10 IKEE COC(=O)c1ccc(COc2c(/C=C/C(=O)c3cccc(Cl)c3)cccc2OC)o1 1874577592 VZANTKSJSZXAFG-PKNBQFBNSA-N 426.852 5.203 30 10 IKEE Cc1cccc(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c1C 1874582165 ZLFSMMPMNBZSBO-OBGWFSINSA-N 441.571 6.515 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OCC(=O)Nc1cc(C)cc(C)c1 1874595266 CAMXPMWACGNVLU-VQHVLOKHSA-N 449.934 5.879 30 10 IKEE Cc1cccc(COc2ccc(/C=C/C(=O)c3ccc(Cl)cc3Cl)cc2[N+](=O)[O-])c1 1874606125 XFYKSBZEFHABQW-WEVVVXLNSA-N 442.298 6.685 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1ccc(Br)cc1 1874608100 WMIQLWLPCRIXSD-AWNIVKPZSA-N 427.725 6.578 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(C)cc1 1874615830 RVMBNDXCIQRSLB-XYOKQWHBSA-N 441.354 7.176 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OCc1ccccc1Cl 1874624980 GLXMZGOGNNAZEA-KPKJPENVSA-N 445.317 7.006 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OCc2nc(O)c3ccccc3n2)cc1 1874629426 BRNUCJIGRLNKEK-JLHYYAGUSA-N 440.499 5.436 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1ccc(C)cc1 1874659370 ACIIXNMSJSBFAJ-SANMLTNESA-N 447.623 5.223 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1OC(=O)Cc1ccccc1F 1874693685 RBEUWXPFOQCHKB-GXDHUFHOSA-N 444.502 5.757 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(OC(=O)C(C)(C)C)c(OC)cc2Br)c1 1874695352 WQGTYYBVFPOXFM-MDZDMXLPSA-N 447.325 5.314 30 10 IKEE O=C(CC1CCCCC1)Oc1cccc(/C=C/C(=O)c2cccc(Br)c2)c1 1874697592 GBKCIIGLOVXNCH-OUKQBFOZSA-N 427.338 6.221 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2)cc1OC(=O)[C@@H]1C[C@H]1c1ccccc1Cl 1874700431 SIERKQKETRZVFT-BCYJJVOOSA-N 432.903 5.954 30 10 IKEE Cc1ccc(C)c(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(F)c(F)c3)c2)c1C 1874710584 FFRMVVZOLNXKKT-FMIVXFBMSA-N 436.454 5.771 30 10 IKEE COc1cccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c4ccccc34)c2)c1 1874718125 ADNPOBGJKIUMLG-FYWRMAATSA-N 438.479 5.972 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2cccc(/C=C/C(=O)c3cc(Cl)ccc3Cl)c2)c1 1874718507 IUEIGSSPNCPCDF-DHZHZOJOSA-N 439.338 6.654 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)c1cccs1 1875125155 UTEUVDUCWQIFGD-VMPITWQZSA-N 448.874 6.194 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)CCc2ccccc2)c([N+](=O)[O-])c1 1875143100 IWRDIMBJZIYFAU-FMIVXFBMSA-N 445.471 5.346 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3OC)cc2)c1 1875145745 QRHNEKFRROWWBZ-XNTDXEJSSA-N 446.499 5.147 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)C1CCCC1 1875157165 QXLIUERWLFYOBQ-LFIBNONCSA-N 432.560 6.539 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OC(=O)Cc1ccc(F)c(C)c1 1875163245 BKRXNYYNHXDPAD-RUDMXATFSA-N 440.417 5.465 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OC(=O)[C@@H](C)c1ccccc1 1875163796 DDWLNPFLZSYZEZ-VEMDQMBVSA-N 436.454 5.969 30 10 IKEE C=C1CC(C[C@H](NC)[C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1 1875651697 OWDNXVOMDNELMY-LITSAYRRSA-N 443.587 5.822 30 10 IKEE C#C[C@H](C)[C@H](NCCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875673394 VMJYOEMQDSJHJY-PWUSVURUSA-N 443.587 5.516 30 10 IKEE O=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1C(F)(F)F 1889570770 AIMKIVXAQUQYNT-CYBMUJFWSA-N 445.281 5.206 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC1(NC(=O)OC(C)(C)C)CCCCC1)NCCC 1922078660 YLPYINWPDHITCD-QHCPKHFHSA-N 430.633 5.745 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1949525280 OCXTZULCCCKFNY-MHECFPHRSA-N 435.609 5.486 30 10 IKEE CCCCCCC[C@@H](OC)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952250677 WCVHHHSOOCPDFI-RPWUZVMVSA-N 439.552 5.354 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C1(C)C 2013407231 MQHVVUIMSQONJS-UZUQRXQVSA-N 449.979 5.667 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 2014447836 LBHABUHVDONMDS-ZJSXRUAMSA-N 430.633 5.411 30 10 IKEE CC(C)[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)CN1Cc1ccccc1 2029761519 GCRHWCJKRXGWIY-ZEQKJWHPSA-N 437.559 5.760 30 10 IKEE O=C1NC(=Nc2ccccc2)SC1=Cc1cn(Cc2ccccc2)nc1-c1ccccc1 2040447684 WFMVGRFEISAHFU-UHFFFAOYSA-N 436.540 5.490 30 10 IKEE N#CCCn1cc(C=CC(=O)N2CCc3sccc3[C@H]2c2cccs2)c2ccccc21 2040483143 KVDBIEOUNMXMCL-VWLOTQADSA-N 443.597 5.865 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]12[C@H]3CC[C@@H](C[C@H]31)[C@H]2NC(=O)OC(C)(C)C 2076924660 HDHWEZMYYUNGGL-IWHOTJSYSA-N 440.628 5.067 30 10 IKEE N#Cc1c(C2CC2)nn([C@@H](c2ccc(C3CC3)cc2)C2CCC2)c1I 2079023711 WAJVTJCEVIIECE-HXUWFJFHSA-N 443.332 5.504 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H]3C[C@H](OCc4ccccc4)C[C@@H]32)cc1 2133968248 KHABTUDYKULCHN-GGHZGINBSA-N 448.563 5.714 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@](C)(C#N)C1CCC(F)(F)CC1 2158478369 NVRLJTJRLRYAKF-IBGZPJMESA-N 443.332 6.298 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](Nc2cc(Br)cc(F)c2C#N)[C@H]2CCCC[C@H]21 2179395835 ORPLHMWEOLTPLW-JEBQAFNWSA-N 438.341 5.050 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCCC)c2ccc(Br)c(C)n2)C1 2183012030 WNENJKKDBJLLBI-SFHVURJKSA-N 438.410 5.054 30 10 IKEE CC(C)(C)OC(=O)NCCN(c1cc(Br)c(C#N)cc1F)C1CCCCC1 2186666596 ZCQCHYUYGWUYPD-UHFFFAOYSA-N 440.357 5.124 30 10 IKEE CC#CCCCC[C@@H](NCCC)c1cc(Br)ccc1I 2196172529 UNSINFGGQWJCPM-QGZVFWFLSA-N 448.186 5.678 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H](Nc2cc(Br)ccc2C#N)C(F)(F)CC1 2197022037 APVPAYHIMLDGER-INIZCTEOSA-N 444.320 5.158 30 10 IKEE C=CCCCCCCC[C@@H](NC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2220090399 WTBKETQFMXJPSY-SHQCIBLASA-N 443.676 5.661 30 10 IKEE Cc1sc([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)c(C)c1Br 2226508183 WNDCAGDZOVJJPN-INIZCTEOSA-N 441.435 6.652 30 10 IKEE C=CCCCCC[C@H](N)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229118612 OTURSGJRIQNSEC-RBUKOAKNSA-N 425.411 5.349 30 10 IKEE C=C(Cl)C[C@@H](NCCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229124360 SESPMYKTEZUHAF-MSOLQXFVSA-N 445.829 5.396 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCCC)c2ccc(Br)cc2Cl)C1 2230392793 UGHROWDLVPRGGZ-KRWDZBQOSA-N 443.813 5.757 30 10 IKEE CCCN[C@@H](CC#CC1CCCC1)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2261103862 XGUSFOYANYXZLB-GVXSCFBNSA-N 442.644 5.437 30 10 IKEE N[C@@H](C#CC1CCCC1)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2274001649 OZSAVNXGEBXLPX-LITSAYRRSA-N 441.571 5.399 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CCC[C@H](C1)[C@@H]2Nc1cc(Br)ccc1C#N 2285783323 XDFCZEKSDQMRGB-ULZXJZRSSA-N 434.378 5.205 30 10 IKEE CCN[C@H](C#Cc1ccccc1Cl)c1cc(Br)sc1Br 2295224421 NLCNQZUJUJEKQO-CYBMUJFWSA-N 433.596 5.629 30 10 IKEE CCN[C@@H](C#Cc1cccc(Br)c1)CCCCN(CC)C(=O)OC(C)(C)C 2296219798 RMJJERPNPQEOSV-HXUWFJFHSA-N 437.422 5.206 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)C[C@H](CCC)NC(=O)OC(C)(C)C 2296300580 KEZNEXNIXKFTLZ-UXHICEINSA-N 437.422 5.252 30 10 IKEE CC(C)Oc1ccc(C(=O)C(=Cc2ccccc2[N+](=O)[O-])c2nc3ccccc3o2)cc1 2296593676 HCQMJDSGYZKMNP-UHFFFAOYSA-N 428.444 5.947 30 10 IKEE O=C1C(=Cc2ccccc2Cl)Oc2cc(OS(=O)(=O)c3ccc(Cl)cc3)ccc21 2296638213 HIAXUMMNQYNGAQ-UHFFFAOYSA-N 447.295 5.377 30 10 IKEE CCn1cc(C=C2Oc3cc(OC(=O)c4cccs4)ccc3C2=O)c2cc(OC)ccc21 2296872124 VEQVRGMSPYMEBS-UHFFFAOYSA-N 445.496 5.567 30 10 IKEE CN1C(=C2SC(=Nc3ccccc3Cl)N(c3ccccc3)C2=O)Sc2ccccc21 2297707781 LAZXEKSLNXFXRL-UHFFFAOYSA-N 449.988 6.519 30 10 IKEE CCCN(C(=O)OC(C)(C)C)C1(C#N)CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 2307667859 SALVSKWLXKTESM-SZTYLXMGSA-N 435.609 5.343 30 10 IKEE CCOc1ccc2c(c1)OC(=Cc1cccc(OC(=O)c3ccc(C(C)(C)C)cc3)c1)C2=O 2314527126 GDLKCMYYZKBTFU-UHFFFAOYSA-N 442.511 6.218 30 10 IKEE CCOc1cc(C=Nn2c(CC)nnc2SCc2cc(C)cc(C)c2)cc(Cl)c1O 2318574732 RTJLWYUDKKDWLK-UHFFFAOYSA-N 444.988 5.390 30 10 IKEE CCOC(=O)[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2321838245 QGKISAUITZXNKT-GOSISDBHSA-N 428.484 5.609 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1c(F)cccc1Cl)O3)CN(Cc1ccncc1)CO2 2321977809 BKJDNOYQOLDQRN-UHFFFAOYSA-N 436.870 5.151 30 10 IKEE Cc1ccsc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(CCCCN1CCCC1)C3 2322120546 UZTYQNHZGOCFPP-UHFFFAOYSA-N 438.593 5.009 30 10 IKEE COc1cccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)c1OCc1cccc(F)c1 2322969063 PNLQSYBURRTJMJ-UHFFFAOYSA-N 432.535 6.915 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OCC(=O)Nc1ccc(C)cc1C 2323279796 NWGMHGVOSZEBLT-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OCc1cc(C)ccc1C 2323404176 FRUONJUKPJCDRB-UHFFFAOYSA-N 436.551 7.330 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)cc(Cl)c1OCC(=O)OCC(C)C 2323702346 QACMYPWGATZDOB-UHFFFAOYSA-N 446.927 5.221 30 10 IKEE Cc1ccc(COc2ccc(C=CC(=O)c3ccc(F)cc3)cc2Br)cc1 2324187065 KRJOSMCOQNKLDT-UHFFFAOYSA-N 425.297 6.372 30 10 IKEE CCOc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 2324356736 QVHKYOCJZYVGPP-HSZRJFAPSA-N 428.557 5.977 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OCc2cccc(F)c2)c(Cl)c1 2324510246 GGKHKODEMGKQQU-UHFFFAOYSA-N 445.317 6.925 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc2c(c1C)OC(=Cc1ccco1)C2=O 2324514592 NXLXGZYISYROKJ-HNNXBMFYSA-N 437.879 5.572 30 10 IKEE CC(C)Oc1ccc(C=C(C(=O)[C@@H](C#N)c2nc(C(C)(C)C)cs2)c2ccccc2)cc1 2324515594 BHXBJMFOEMGLCP-HSZRJFAPSA-N 444.600 6.645 30 10 IKEE CCc1ccc(OCCCOc2ccc3c(c2C)OC(=Cc2ccc(C)cc2)C3=O)cc1 2324665472 XOCSMDZIZPXKOB-UHFFFAOYSA-N 428.528 6.330 30 10 IKEE Cc1ccsc1C=Nn1c(Cc2ccccc2)nnc1SCc1ccccc1Cl 2325489635 AQPQZFMSPPSRTR-UHFFFAOYSA-N 439.009 6.067 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccccc1OC 2325535406 NCVBSSLUOPWDQT-UHFFFAOYSA-N 449.407 6.111 30 10 IKEE Cc1c(OCC(=O)Nc2nccs2)ccc2c1OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2325589533 BFBRKERTXJOJHM-UHFFFAOYSA-N 448.544 5.383 30 10 IKEE COc1cccc(C(=O)Oc2cc(C=CC(=O)c3ccc4c(c3)CCCC4)ccc2OC)c1 2325700954 NXNFNEDMJNBTRI-UHFFFAOYSA-N 442.511 5.698 30 10 IKEE O=C(Oc1cccc(C=CC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(F)c(F)c1 2325709591 IEZNBYVFGCBUJZ-UHFFFAOYSA-N 433.237 6.387 30 10 IKEE COc1ccc(C=C2Oc3cc(OCC(=O)Nc4cc(Cl)ccc4C)ccc3C2=O)cc1 2325723130 LDYZWIIDVJLFTJ-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)c2)cc1 2325738434 CJUXVKPMEQBEJO-UHFFFAOYSA-N 430.460 5.085 30 10 IKEE COc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C)c(C)c4)cc(C)c3C2=O)cc1 2325738588 QWWWFCWTQLKLJP-UHFFFAOYSA-N 443.499 5.254 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1OC(=O)CCCSC 2325746129 DQODJBJKWKHYRI-UHFFFAOYSA-N 426.578 5.937 30 10 IKEE COc1ccccc1CCC(=O)Oc1cccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)c1 2325746509 QWOHZDKJAJVIQL-UHFFFAOYSA-N 442.555 6.427 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2cc(Cl)ccc2Cl)c1)c1ccc2c(c1)OCO2 2325747504 TZWLTPDAXBBKPZ-UHFFFAOYSA-N 441.266 5.837 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1OC(=O)c1cc(Cl)ccc1Cl 2325750947 CLBWGWGBPYJRMZ-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1C 2325756749 BIUFMOWOCVFQQD-UHFFFAOYSA-N 429.472 5.944 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1cccc(C)c1 2325909892 CSLRMGYMNCQMCV-UHFFFAOYSA-N 433.364 5.633 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccccc1F 2326014532 OJRYWUCZFCUZHT-UHFFFAOYSA-N 444.963 5.633 30 10 IKEE CCCOc1ccc(C=Nn2c(CCC)nnc2SCc2ccc(C)cc2)cc1Cl 2326303331 HEATVOPCPNCGGL-UHFFFAOYSA-N 443.016 6.156 30 10 IKEE CCCSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1ccc([N+](=O)[O-])cc1 2327385647 YHWRLUWNDAHKDJ-UHFFFAOYSA-N 439.541 5.102 30 10 IKEE Cc1cccc(C=Nn2c(COCc3ccccc3)nnc2SCc2ccccc2F)c1 2329342764 JVSKRMYFBWBSEL-UHFFFAOYSA-N 446.551 5.617 30 10 IKEE Fc1ccc(Cc2nnc(SCc3ccccc3Cl)n2N=Cc2ccco2)cc1 2329842659 YMTQDPAPCOQTIF-UHFFFAOYSA-N 426.904 5.429 30 10 IKEE COc1ccc(C=Nn2c(Cc3ccc(C)cc3)nnc2SCCc2ccccc2)cc1 2330002357 BCOSZUWPNPKCNC-UHFFFAOYSA-N 442.588 5.403 30 10 IKEE Cc1ccccc1CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1cccc(O)c1 2330057756 MCVAVUNPEWBWRJ-LJQANCHMSA-N 428.561 5.618 30 10 IKEE Fc1cc(Br)ccc1CON=C(c1ccc(Br)cc1)C1CC1 2330366382 VDCJFSBISQKDSO-UHFFFAOYSA-N 427.111 5.682 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccccc3C)nnc2-c2cccs2)cc1O 2330538546 ZYJWOMJPXDNWDR-UHFFFAOYSA-N 436.562 5.204 30 10 IKEE Fc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2-c2cccs2)cc1 2330584237 GRVNOOWCCNUSBD-UHFFFAOYSA-N 428.945 5.974 30 10 IKEE Fc1ccccc1C=Nn1c(SCc2ccc(Cl)cc2)nnc1-c1cccs1 2330600358 PHZCGGWBNBRUMC-UHFFFAOYSA-N 428.945 5.974 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC(=O)C1CC1 2330611559 ZKONHQTZNJMRNV-UHFFFAOYSA-N 438.523 6.302 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1Cl)c1cccs1 2330807603 KZOSSUSVXZINLY-UHFFFAOYSA-N 437.731 6.824 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2cccc(C)c2)nnc1[C@@H]1CCCO1 2330920456 UCJMRMIYNZOZEQ-QFIPXVFZSA-N 434.565 5.177 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc(F)c(F)c1 2330944218 YDSCKKTVTRGKFS-UHFFFAOYSA-N 442.845 6.132 30 10 IKEE Cc1cccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2[C@H]2CCCO2)c1 2331001060 SHNIYZJMJIYWBB-LJQANCHMSA-N 447.391 5.919 30 10 IKEE C[C@@H](C(=O)Oc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-])c1ccccc1 2331031114 ZYLBCDAPPLKQEB-MRXNPFEDSA-N 446.415 5.108 30 10 IKEE COc1cccc(C=Nn2c(SC)nnc2-c2ccco2)c1OCc1cccc(C)c1 2331165536 WGKUZZXSEGSSLM-UHFFFAOYSA-N 434.521 5.038 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)CC3CCCCC3)c(Cl)c2)cc1 2331414331 XPFPTCIXYVLWAI-UHFFFAOYSA-N 438.995 7.409 30 10 IKEE CC(C)Cc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(C(=O)O)cc1 2331463965 JSPRPCGHNWYTTK-UHFFFAOYSA-N 444.560 5.503 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1cncc(C)c1 2331503982 BZGSCZKQHCQPIU-UHFFFAOYSA-N 429.516 6.027 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C2CC2)c([N+](=O)[O-])c1)c1ccc(Oc2ccccc2)cc1 2331595628 STOLZRHTOIMKRB-UHFFFAOYSA-N 429.428 5.599 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1ccc(C(C)C)cc1 2331636438 XNGPASNVUMUSKE-UHFFFAOYSA-N 439.560 5.106 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2OC)ccc1OC(=O)C(F)(F)F 2331877163 PXGLLQRDXZJYMZ-UHFFFAOYSA-N 428.790 5.111 30 10 IKEE C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339582315 QAJCTRJUXVPWRX-ITTSFCMDSA-N 433.405 5.049 30 10 IKEE CC1(C)OB([C@]2(C)CCN(Cc3ccc(Cl)c(Br)c3F)C2)OC1(C)C 2342477765 OPJLUBKCRPFMCH-GOSISDBHSA-N 432.570 5.300 30 10 IKEE CC(C)(C)OC(=O)N[C@]1(C)C[C@H]2CC[C@H]1C[C@@]2(C#N)Nc1ccccc1Br 2381198507 VWIIMMUZDQMLKE-RSMHBEIYSA-N 434.378 5.227 30 10 IKEE C#CCOc1c(Cl)cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1OC 2987038 JJQAUXLZLBFMNO-WOJGMQOQSA-N 448.327 5.251 30 10 IKEE C#CCCOc1cc(-c2ccc(C)s2)cc2c1OCCN(C(=O)c1cccc(F)c1)C2 12449885 ZHKFDHYWKCMMAW-UHFFFAOYSA-N 435.520 5.300 30 10 IKEE C=CCNC(=O)c1cccc2c1N[C@@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@H]21 14469923 AOGSDGIGTFTVIZ-DPZBCOQUSA-N 436.555 6.008 30 10 IKEE COc1cccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(Cl)c(Cl)c2)C3)c1OC 21221363 IZSOCYLUXDHTKQ-DZGCQCFKSA-N 446.330 5.015 30 10 IKEE CCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)cc1 21252481 HSWJGNBPKXSFBN-XHCCPWGMSA-N 428.507 6.204 30 10 IKEE CCOc1ccc([C@H]2C3=C(C[C@@H](c4ccc(Cl)cc4)CC3=O)Nc3onc(C)c32)cc1 28052166 AHLJQHUISPHXIK-UZUQRXQVSA-N 434.923 5.993 30 10 IKEE CCCn1cc(CN/C(=N/C(=O)c2ccc(C)c(C)c2)Nc2ccc(C)cc2C)c(C)n1 32972856 ANVIMJRPARSTKP-UHFFFAOYSA-N 431.584 5.233 30 10 IKEE CCCn1cc(CN/C(=N/C(=O)c2ccc(C)c(C)c2)Nc2ccccc2CC)c(C)n1 32972975 VJKOBMVUMRJRGT-UHFFFAOYSA-N 431.584 5.179 30 10 IKEE CCCC[C@H]1S/C(=N/N=C/c2ccc(Br)cc2)N(Cc2ccccc2)C1=O 34367705 HNCZVNSWRRRRSL-GSGORFQQSA-N 444.398 5.473 30 10 IKEE CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C\c3c(Cl)cccc3Cl)c2C#N)C1 35109743 AEFNJFRNTLIMGK-ASCRHOAZSA-N 433.404 6.729 30 10 IKEE C=CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cccc(OC)c2)cc1 39872420 AWYGOFCCHUGJPY-XMMPIXPASA-N 439.467 5.116 30 10 IKEE COC(=O)c1c(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)sc(Cc2ccccc2)c1C 59460332 NMRYIYFCXRGZAO-FSJBWODESA-N 428.897 5.746 30 10 IKEE CCOc1c(Br)cc(C(=O)N(CCC#N)c2ccc(C)c(C)c2)cc1OC 98078974 LIEVXJIJSGTXNS-UHFFFAOYSA-N 431.330 5.034 30 10 IKEE CCCCCCCCCCCCn1c([C@H](C)NC(=O)c2ccccc2C)nc2ccccc21 102114203 ZLKZDCAZDVPQBZ-DEOSSOPVSA-N 447.667 7.757 30 10 IKEE Cc1ccc([C@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 103093310 HJUJNWSQBWVYSQ-VFJWVMJUSA-N 440.524 5.539 30 10 IKEE O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@H](c2ccccc2F)/C1=C(/O)c1ccccc1 103105453 BTYLXIZFJHYXTB-GOBJLOIFSA-N 448.450 5.201 30 10 IKEE C=CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4ccc(F)cc4)N=C3C)o2)cc1 104652512 KDKUDKHEJXMNLI-PXLXIMEGSA-N 430.435 5.235 30 10 IKEE C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1c(-c2ccc(F)cc2)ncn1Cc1ccccc1 109690081 MNKUDDMUYZAWDS-SFHVURJKSA-N 440.478 5.015 30 10 IKEE N#Cc1ccc(NCc2ccc(Br)c(Br)c2)c(Br)c1 163653312 QGQSHDCIXRZWOB-UHFFFAOYSA-N 444.952 5.458 30 10 IKEE COc1ccc(N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 169885373 HFNJAJOTONFCAH-DHRITJCHSA-N 431.319 6.036 30 10 IKEE CCCCCCOc1c(OC)cc(/C=N\Nc2nc3ccccc3s2)cc1[N+](=O)[O-] 169890379 MDPBSEYRAZRDNM-HMAPJEAMSA-N 428.514 5.618 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(OC)cc2)c1 169921955 DTDQPHISNWKETE-HSZRJFAPSA-N 447.462 5.016 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@@H]2c2ccccc2OC)cc1 169941989 ZSRWLLADDMLCNP-DEOSSOPVSA-N 443.499 5.049 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)C)cc2)[C@@H]1c1cccc(C)c1 169967443 MTLVRJPIDBWYHU-RUZDIDTESA-N 441.527 5.910 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@H]2c2cccc(C)c2)cc1 169969122 IQMSSISPEANTBU-XMMPIXPASA-N 443.499 5.185 30 10 IKEE CC(C)Oc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2)cc1 169977469 JDYJEYFFLPWFNL-HSZRJFAPSA-N 447.918 5.910 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccccn2)cc1 169992236 ACEJLGSPUOGQSC-JOCHJYFZSA-N 446.934 5.815 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccccc2)c1 170047680 YMZMBQWMMMNILF-VWLOTQADSA-N 427.500 5.187 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1cccc(O)c1)c1cccc(Cl)c1 170081465 NUTQHWPNIVYJLQ-FQEVSTJZSA-N 440.282 5.482 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(CC)cc3)[C@H]2c2ccccc2C)c1 170086634 HKTBMBJWGDQUBY-RUZDIDTESA-N 441.527 5.739 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccccc2C)cc1C 170088335 KXXZVYMQODRVMS-HSZRJFAPSA-N 449.453 5.373 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2sccc2C)s1 170106798 HGDNIACLKJEEIW-INIZCTEOSA-N 444.965 5.566 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(O)cc1 170134432 WFSCJJHLCGXELI-HSZRJFAPSA-N 445.515 5.370 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@@H]1c1ccc(C(C)(C)C)cc1 170150201 CRAYRSWUYBFMLR-NRFANRHFSA-N 441.955 5.634 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@@H]2c2ccccc2)c1 170224239 FGKNXAJTAXCCLJ-XMMPIXPASA-N 427.500 5.431 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(F)cc2)ccc1Cl 170244016 CGANVDQMTKAMQC-HXUWFJFHSA-N 429.875 5.009 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccc2F)c(C)c1 170249577 PCJTWWMQTVGLQM-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1cccc(O)c1 170259294 HWMMISNAVMTLGK-DEOSSOPVSA-N 441.527 5.781 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCOC(C)C)cc1 170265228 ZDLQPELMDNBKEN-RUZDIDTESA-N 443.543 5.406 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1CCOC(C)C 170270605 XVXACBVMVWZGLZ-XMMPIXPASA-N 429.516 5.152 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2C)c(OC)c1 170272425 HRHWDHDYJBOFGT-XMMPIXPASA-N 443.499 5.104 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccc(C)o2)c1 170302349 QDDPPCOOUFJDHE-HSZRJFAPSA-N 447.487 5.005 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(C)o1 170302982 PLOWXEMODILKCZ-HXUWFJFHSA-N 437.879 5.341 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(C)o2)cc1C 170311326 ADSXDELYYWSVKP-QHCPKHFHSA-N 449.478 5.213 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1Cc1ccccn1 170316557 UXMORYHAXFNRIW-JOCHJYFZSA-N 444.556 5.109 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)[C@@H]1c1ccc(F)cc1)c1ccco1 170377831 GGRDVNZHDKZCOB-GOSISDBHSA-N 431.341 5.220 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(OC)cc2)cc1 170452993 SREMODBSAIVVPX-DEOSSOPVSA-N 436.552 5.057 30 10 IKEE COc1ccc(C=Nc2nc3ccccc3n2CCN2CCCCC2)c2c(OC)cccc12 252617027 KKRFLVNIPPJGCP-UHFFFAOYSA-N 442.563 5.443 30 10 IKEE O=c1c2oc3nc(-c4ccccc4)cc(-c4ccccc4)c3c2ncn1N=Cc1cccs1 252623743 OYGWISIQDFMKCR-UHFFFAOYSA-N 448.507 5.815 30 10 IKEE O=[N+]([O-])c1ccc2c(C=Nc3cccc(-c4nc5ccccc5s4)c3)c(O)ccc2c1 252639512 YLAYICMIVDQPCF-UHFFFAOYSA-N 425.469 6.481 30 10 IKEE CCOc1ccc(N=Cc2c(O)c(C(=O)Nc3ccccc3OC)cc3ccccc23)cc1 254304813 AQGGKWVNVGOXIB-UHFFFAOYSA-N 440.499 5.956 30 10 IKEE CC(C)(C)C1=CC(=NN=C(c2ccccc2)c2ccccc2)[C@H]2CN=N[C@@]2(C(C)(C)C)C1=O 254383165 AVACOHUQWPOENZ-SKCUWOTOSA-N 440.591 6.302 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(OC)cc2)cc1 526486967 TWAAVHOWGTZTKO-XMMPIXPASA-N 426.472 5.023 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccc(OC(C)C)c2)cc1 526513989 CIMZIHTYKBRBDX-VWLOTQADSA-N 440.499 5.411 30 10 IKEE CCCCOc1ccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526516502 NYNYNNQVBMKCDG-RUZDIDTESA-N 442.490 5.933 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2sccc2C)c(OC)c1 526520306 HNTSUIJPTPMEEJ-NRFANRHFSA-N 432.501 5.003 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 526603629 GIGRDMPBTVNBGY-VWLOTQADSA-N 438.527 5.922 30 10 IKEE CCCCCCOc1ccc(/C=N\n2cnnc2SCc2ccc(F)cc2)cc1OC 526801505 VHGVVRDNYFQKSL-YSMPRRRNSA-N 442.560 5.559 30 10 IKEE CCCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1ccc(CC)cc1 526815361 RQRUXZQASRPYHS-QFEZKATASA-N 447.435 6.664 30 10 IKEE CCCCCOc1ccc(/C=N\n2cnnc2SCc2cccc(F)c2)cc1OCC 526824658 NQEOGIOZWCTPSH-YSMPRRRNSA-N 442.560 5.559 30 10 IKEE CCCCN(CC)C(=O)Nc1cccc(C(=O)Nc2scc(C(C)(C)C)c2C#N)c1 586682046 LUKYOSLKBYAYNQ-UHFFFAOYSA-N 426.586 5.823 30 10 IKEE C=C(C)CC[C@H](NCCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 693688585 XLXUTOXCVLBFCV-QHCPKHFHSA-N 429.649 5.270 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCN(C(=O)OC(C)(C)C)CC1 704044324 RTQCSQVEVYUEGZ-DEOSSOPVSA-N 429.561 5.420 30 10 IKEE C=C1CCC(C[C@@H](NC)c2ccc(I)c(Br)c2)CC1 724602810 PCNUTGFHPMQZEC-MRXNPFEDSA-N 434.159 5.451 30 10 IKEE Cc1ccc2nc(CSc3n[nH]c(NN=Cc4ccc(Cl)cc4Cl)n3)[nH]c2c1 1083916349 PWEFQHFLWYXJFL-UHFFFAOYSA-N 432.340 5.035 30 10 IKEE C=C1/C(=C/C=C2\CCC[C@]3(C)C([C@H](C)C/C=C/C(O)(CC)CC)=CC[C@H]23)C[C@H](O)C[C@H]1F 1307221032 LRLWXBHFPGSUOX-MCWJHJSSSA-N 442.659 7.158 30 10 IKEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1507914362 IKSZOJOBZINJDT-ZWKOTPCHSA-N 434.588 5.211 30 10 IKEE Cc1ccc(/N=C2/S[CH][C@@H](c3ccc(Cl)cc3)N2CCN2CCOCC2)c(C)c1 1614382080 NBHXTILCQJYGGM-LFIUJEBDSA-N 429.009 5.228 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(OCc3ccc(C)cc3)cc2)SC1=Nc1cccnc1 1772731374 LNMQPNCKMNFJOK-ZRAGWZJNSA-N 429.545 5.593 30 10 IKEE C=CCN1C(=O)/C(=C(/C)c2cccc(OC)c2)SC1=Nc1nc(-c2ccccc2)cs1 1772735887 IRMGAURMASXCKZ-NUPZHTTHSA-N 447.585 5.999 30 10 IKEE COc1cccc(/C(C)=C2/SC(=Nc3cccnc3Cl)N(c3ccccc3)C2=O)c1 1772735931 WEPJQTNUELOXDH-SUYASHRRSA-N 435.936 5.942 30 10 IKEE C/C(=C1\SC(=Nc2ccncc2Cl)N(C2CCCCC2)C1=O)c1cccc(N)c1 1772736566 LRSSHIRMNBFYSU-RDJYZGLESA-N 426.973 5.644 30 10 IKEE Cc1ccc(NC(=S)N/N=C\c2cn(-c3ccc(F)cc3)nc2-c2ccc(C)cc2)cc1 1857809564 YNWYYTWQZOVKOT-DICXZTSXSA-N 443.551 5.616 30 10 IKEE CC(C)(C)c1ccc(NC(=O)c2nc(C(=O)Nc3ccccc3C#N)c3ccccn23)cc1 1858242813 HRGSTYZNHLGFEA-UHFFFAOYSA-N 437.503 5.008 30 10 IKEE C=CCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](C)CCc1ccccc1 1860037019 PUPVYOQESDQSSI-OAHLLOKOSA-N 429.404 6.374 30 10 IKEE O=C(/C=C/c1ccccc1Br)C(=O)N(Cc1ccccc1)Cc1ccccc1 1860635602 PUSVOCNCIZOGDS-FOCLMDBBSA-N 434.333 5.260 30 10 IKEE O=C(/C=C/c1ccc(Br)cc1F)C(=O)Nc1ccccc1Oc1ccccc1 1860731545 VFKVBWCRTLAXFL-ACCUITESSA-N 440.268 5.602 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC(C)C)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] 1861133875 KJDHPJKXKZEYEE-QWYDYZLZSA-N 445.604 5.396 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc(C(C)C)cc1 1861552916 DPTSMBJEYBHQEQ-OJHGWFAHSA-N 426.645 6.071 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(OCC)cc1 1861583970 NDOONGCWQTUAAF-LULQDDRCSA-N 428.617 5.346 30 10 IKEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(C(C)C)cc1 1862380544 FSQMDSISMDWVKO-FQEVSTJZSA-N 448.346 5.342 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(O)cc1)c1ccc(Cl)cc1Cl 1862381546 CDTUHKOYRLPGQH-FQEVSTJZSA-N 446.330 5.610 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2c(F)cccc2Cl)cc1 1862398092 VIZALNAFOZFTHY-OYHNWAKOSA-N 443.946 6.199 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(C)cc1 1862429717 SYCLWJCATYRLCS-CVDCTZTESA-N 439.983 6.586 30 10 IKEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2)cc1 1862475429 LJQUIISXJILDLS-KOSHJBKYSA-N 427.500 5.343 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862483838 DYNCZJVLHYLLPU-CYFREDJKSA-N 435.564 5.941 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2ccccc2)c1 1862486624 HQDNIROMYXPWLZ-RUZDIDTESA-N 425.528 5.515 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(N(C)C)cc2)c1 1862493296 MMUHIFHCWQJAQX-RUZDIDTESA-N 446.591 5.671 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(CC)cc2)cc1 1862529446 GKROTOKGBDKAET-VWLOTQADSA-N 431.576 6.113 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc(CC)cc2)cc1 1862530650 VFYNEGQYBPUYSL-UODBTFMRSA-N 431.576 5.968 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862532391 CENLOILIPRGHEL-HSZRJFAPSA-N 426.472 5.102 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(OC)c(O)c1 1862532459 XEDDYPSPHDABSZ-QHCPKHFHSA-N 437.536 5.122 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1c(F)cccc1Cl 1862548815 AHACIMSNULVKBT-OAQYLSRUSA-N 425.887 5.122 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2Cc2cccs2)c1 1862613487 IXGCYLTXVZBRLP-QHCPKHFHSA-N 445.584 6.133 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862668244 UQUHHQPLDHIMFI-FQEVSTJZSA-N 430.331 5.881 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2Cl)cc1 1862675526 NDXGVJBPKCIAAW-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862676999 WFDOLPYNUCXYFN-NYHFZMIOSA-N 446.434 5.073 30 10 IKEE N#Cc1cccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3cccc(Cl)c3)C2=O)c1 1862794010 RMYBPIXFNMGWPL-UHFFFAOYSA-N 434.282 5.262 30 10 IKEE CCOc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3cccc(Cl)c3)C2=O)cc1 1862829582 AFQYDHUVIQLAAA-UHFFFAOYSA-N 443.890 5.007 30 10 IKEE CSc1cccc(NC2=C(c3ccccc3Cl)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1863077446 NIDSGJPUNIVTNM-UHFFFAOYSA-N 445.931 5.330 30 10 IKEE CCOc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(CCC3=CCCCC3)C2=O)cc1 1863210490 AHCGHBMZBKIYSR-UHFFFAOYSA-N 441.531 5.039 30 10 IKEE CCCCCCCCNC1=C(c2ccc(F)cc2)C(=O)N(Cc2cc(C)ccc2C)C1=O 1863507848 IRYNCGUUASAEJJ-UHFFFAOYSA-N 436.571 5.673 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2[N+](=O)[O-])C(=O)N([C@@H](C)c2ccccc2)C1=O 1863595783 FNTDQJRRUPOSJZ-IBGZPJMESA-N 449.551 5.386 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2cccc(C)c2)=C(c2ccc(C)c(C)c2)C1=O 1863607571 JAAKTBALKRPAIT-UHFFFAOYSA-N 432.608 5.842 30 10 IKEE CCCCCCCCNC1=C(c2ccc(C)c(C)c2)C(=O)N(CCc2ccc(C)cc2)C1=O 1863611178 MWRJASVYTWFZLE-UHFFFAOYSA-N 446.635 5.885 30 10 IKEE CC(C)(C)c1csc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)c1C#N 1865768504 FPEXNEHJECWMEJ-UHFFFAOYSA-N 447.491 5.109 30 10 IKEE CC[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(C#N)c1)c1ccc(Cl)cc1 1866957699 VFUYSQUEKBJCJY-RPWUZVMVSA-N 445.950 5.071 30 10 IKEE CCCCCCCOc1cn(CCCOCCCC)c(CN2CCCCCC2)cc1=O 1870409660 YYBKKFSDETYFAA-UHFFFAOYSA-N 434.665 5.780 30 10 IKEE CCCCCCCOc1cn(Cc2cccc(C)c2)c(CN(CCC)CCC)cc1=O 1870412942 OOZQKFMHECCMQZ-UHFFFAOYSA-N 426.645 6.176 30 10 IKEE CCCCCCCCn1cc(OCCCO)c(=O)cc1CNc1cccc(Cl)c1C 1871266611 GVUHLZISKOBWKY-UHFFFAOYSA-N 435.008 5.544 30 10 IKEE Cc1ccc(CCN2COc3cc(C)c4c(c3C2)O/C(=C\c2ccccc2C)C4=O)cc1 1871353444 QHKYJXWXATZPNC-MYYYXRDXSA-N 425.528 5.623 30 10 IKEE COC(=O)c1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(C3CCCCCC3)C4)C2=O)cc1 1871353553 SJBJVCUNBSFSEX-QRVIBDJDSA-N 447.531 5.273 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OC(=O)CCc3ccc(Cl)cc3)cc(C)c2C1=O 1871368647 MCMNUNIFDNAGFB-UCQKPKSFSA-N 448.902 5.811 30 10 IKEE CCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871379621 GZUVYVHTVVNTGD-WALZVUBYSA-N 444.458 5.768 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OC(=O)COc4ccc(Cl)cc4)c3C)C2=O)c1 1871381059 LSAKXTDXSLIWSG-XKZIYDEJSA-N 434.875 5.557 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871381655 AQIBUESTBKUNQI-FYPXMSKISA-N 440.451 5.312 30 10 IKEE Cc1cc(OC(=O)c2ccc(OCC(C)C)cc2)cc2c1C(=O)/C(=C/c1ccncc1)O2 1871384054 WJPUBQXOPSJVOD-QRVIBDJDSA-N 429.472 5.260 30 10 IKEE Cc1c(OC(=O)c2cccc(OC(C)C)c2)ccc2c1O/C(=C\c1ccccc1Cl)C2=O 1871388355 RCFCAAKDUXGHPH-UCQKPKSFSA-N 448.902 6.271 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(F)cc2)C3=O)c1 1871389254 MQPHTBLZINLPME-XKZIYDEJSA-N 446.430 5.285 30 10 IKEE Cc1c(OCCc2ccccc2)ccc2c1O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O 1871400214 OWNDRVZVPCBGRS-QRVIBDJDSA-N 448.902 5.753 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OCCCOc3cccc(C)c3)cc(C)c2C1=O 1871405646 MCGZRCWCQKEPJQ-XYGWBWBKSA-N 430.500 5.776 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2)Oc2cc(OCCCOc3ccc(Cl)cc3)ccc21 1871406568 RIGYVROPDGNLKS-UCQKPKSFSA-N 441.310 6.458 30 10 IKEE Cc1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccccc2F)C3=O)c1C 1871413663 MPLLOJYOBRWZPT-SMNNTEATSA-N 445.490 5.773 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccc(Cl)cc4)cc(C)c3C2=O)o1 1871414583 NWKIZHVNUIMOIC-ZGFXFUDXSA-N 437.879 5.572 30 10 IKEE CCCCCCOC(=O)COc1ccc2c(c1C)O/C(=C\c1cn(C)c3ccccc13)C2=O 1871422416 ZZUHFGBYESOONL-IWIPYMOSSA-N 447.531 5.605 30 10 IKEE CCc1ccc(NC(=O)[C@H](CC)Oc2ccc3c(c2)O/C(=C\c2sccc2C)C3=O)cc1 1871425061 FIZNWOUERUWHRC-XUVWKZFSSA-N 447.556 6.031 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccc(Cl)cc4)c3C)C2=O)cc1 1871440679 BJGUSXCVJRQWML-XKZIYDEJSA-N 433.891 5.591 30 10 IKEE C=CCN=c1nc(Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)[nH]c(N(CC)CC)n1 1871696793 PPDDOUOJOUEAQZ-UHFFFAOYSA-N 445.596 5.066 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1ccccc1 1872089145 HKGZPGOUKWRXLG-QHCPKHFHSA-N 428.598 5.013 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccccc1C)[C@@H](C)CC)S(=O)(=O)c1c(C)cc(C)cc1C 1872441086 KEVOLXAMZFZEOH-MBSDFSHPSA-N 442.625 5.150 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccccc1C(C)C)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1872461424 KUKDGXTWUQRECN-WMZHIEFXSA-N 428.598 5.040 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@H](C#N)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)n1 1872788535 KIAKTVYCGCFPDN-IOMDMTNGSA-N 439.880 5.270 30 10 IKEE CC(C)c1ccc(O[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1 1872789376 HIBJKABTTPFORX-CZUORRHYSA-N 430.982 6.292 30 10 IKEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)Nc3ccc(C)cc3C)cc2[nH]1 1872806001 RPZDEPJTLCNKGQ-UHFFFAOYSA-N 427.504 5.576 30 10 IKEE N#Cc1ccccc1NC1=C(c2ccc(-c3ccccc3)cc2)C(=O)N(C2CCCCC2)C1=O 1873274495 BGGCMBCOAOTHDY-UHFFFAOYSA-N 447.538 5.750 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(F)cc2Cl)=C(c2cccc(Cl)c2Cl)C1=O 1873341902 UQHQHLVHJDRXHR-UHFFFAOYSA-N 425.674 5.164 30 10 IKEE O=c1c(Br)c(N/N=C/[C@@H]2CC=CCC2)cnn1-c1ccc(Cl)c(Cl)c1 1873528769 GYYTZKIJBKIPOU-CPOBKIPGSA-N 442.144 5.056 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(C)cc1C)n2CCCC 1873621243 MJGWJRFVARADPH-UHFFFAOYSA-N 449.643 6.873 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)c(C)c2)cc2c(N(CC)CCCC)ncnc21 1873654434 DCQBSZVNBAPXOC-UHFFFAOYSA-N 425.964 5.458 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)c(Cl)c2)cc2c(N3CCCCCC3)ncnc21 1873655791 WRYACXZFNWLNST-UHFFFAOYSA-N 444.366 5.557 30 10 IKEE N#Cc1ccccc1NC(=O)[C@H]1c2ccccc2C(=O)N(Cc2ccco2)C12CCCCC2 1873868585 ITYZTYWIPOTJCG-XMMPIXPASA-N 439.515 5.232 30 10 IKEE CCSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1ccc(C(C)C)cc1 1874206002 FPXGQYCXCCGINU-WYMPLXKRSA-N 449.407 6.282 30 10 IKEE Cc1ccc(CSc2nnc(COc3c(C)cccc3C)n2/N=C/c2cccn2C)cc1 1874298810 TWVLCVHIHOKWIE-CVKSISIWSA-N 445.592 5.295 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3F)n2/N=C/c2cccnc2)cc1C 1874358763 YQHDXYNIKJMHJK-JFLMPSFJSA-N 431.540 5.194 30 10 IKEE Oc1ccccc1/C=N/n1c(Cc2ccccc2F)nnc1SCc1ccc(F)cc1 1874373616 NXGCXJHJXADKDX-VULFUBBASA-N 436.487 5.027 30 10 IKEE Cc1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SCc2cc(C)ccc2C)cc1 1874375758 LVJCIYPPIRFUJQ-LQKURTRISA-N 444.579 6.108 30 10 IKEE COc1cccc(/C=N/n2c(Cc3ccccc3F)nnc2SCc2ccccc2)c1 1874375793 NOWYNOYXUIRGBW-WGOQTCKBSA-N 432.524 5.191 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccccc2C)c1 1874398875 RURUISDIPPVYDA-WPWMEQJKSA-N 442.588 5.560 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2cccc(Cl)c2)n1/N=C/c1cccs1 1874401143 IPGXVPUDDJQOSG-HUSFYUSLSA-N 439.009 6.319 30 10 IKEE CCc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2cc(C)ccc2C)cc1 1874416680 CAWGQPNQZBHOLW-MTDXEUNCSA-N 440.616 6.223 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CCCC2)cc1 1874456974 TWRGDGJCTJRTIT-JVWAILMASA-N 430.552 6.403 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(F)(F)F)n2/N=C/c2ccc(N(C)C)cc2)c1 1874461409 LYFPNPKPXZEVDB-BRJLIKDPSA-N 433.503 5.154 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2cccc(Cl)c2)nnc1C(F)(F)F 1874463163 VZQNIXGOVIRJJN-AUEPDCJTSA-N 426.851 5.133 30 10 IKEE Fc1ccccc1CSc1nnc(-c2ccco2)n1/N=C/c1ccc(Cl)cc1Cl 1874466950 KZOPHJBDBORRAP-BHGWPJFGSA-N 447.322 6.159 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2-c2ccco2)cc1 1874468531 MFUUNBWCRHPVIL-WYMPLXKRSA-N 443.359 6.328 30 10 IKEE CCCOc1cccc(/C=N/n2c(CCOC)nnc2SCc2cccc(Cl)c2)c1 1874473966 GDGMEYQIMHFKLA-BUVRLJJBSA-N 444.988 5.084 30 10 IKEE COc1cc(/C=N/n2c(CC(C)C)nnc2SCc2ccc(F)cc2)cc(Cl)c1O 1874487177 CZYWKWLBQLBKGL-BHGWPJFGSA-N 448.951 5.158 30 10 IKEE Cc1cccc(/C=N/n2c(CC(C)C)nnc2SCc2c(Cl)cccc2Cl)c1 1874490837 MYTNLDBVVYLWHK-WYMPLXKRSA-N 433.408 6.266 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1cccc(Br)c1 1874504253 NCXUJXIDWFKUSA-WSDLNYQXSA-N 433.350 5.307 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2ccc(C(C)C)cc2)cc1 1874511678 JWLNIOJSQFYGMA-CVKSISIWSA-N 449.624 5.700 30 10 IKEE COc1cc(/C=N/n2c(SCc3ccccc3F)nnc2C(C)C)ccc1OC(C)C 1874513581 GHENNLFPKIRSKO-DHRITJCHSA-N 442.560 5.511 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(C(=O)O)cc1 1874517574 ZYYIZXRZTBTHGX-AUEPDCJTSA-N 449.363 5.581 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(CC)nnc2SCc2ccc(F)cc2)cc1 1874524103 WTIMKIRYTJXPNR-PCLIKHOPSA-N 426.561 5.723 30 10 IKEE CCCCOc1ccc(/C=N/n2cnnc2SCc2cccc3ccccc23)cc1OC 1874539510 JANLDXJCWZHNBE-JVWAILMASA-N 446.576 5.793 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1/N=C/c1ccc[nH]1 1874541638 KQNUUQZGBPMEEA-YDZHTSKRSA-N 436.368 5.085 30 10 IKEE CC(C)(C)c1cc(/C=N/n2c(S)nnc2CCc2cccs2)cc(C(C)(C)C)c1O 1874562004 WCRJGXXZONBBOK-ZVHZXABRSA-N 442.654 5.596 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccccc2C)cc1 1874573357 JMKJXMPTEFEKFB-VHEBQXMUSA-N 427.544 6.251 30 10 IKEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(Cl)cc1)Nc1ccc(F)cc1 1874578562 UPKQJMCFDKLXMV-QDEBKDIKSA-N 444.289 6.046 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(Cl)ccc1OCC(=O)Nc1cccc(C)c1 1874580781 GAWOERGKNHTHKM-CSKARUKUSA-N 449.934 5.879 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccccc1OCC(=O)N[C@H](C)c1ccccc1 1874581259 DTBBVVJJFYYJTC-DAMWEWLOSA-N 429.516 5.156 30 10 IKEE Cc1ccc(C)c(COc2ccc3ccccc3c2/C=C/C(=O)c2ccc3c(c2)OCO3)c1 1874582752 FWEAMPGCNMCUEH-VAWYXSNFSA-N 436.507 6.660 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccccc3F)c2)cc1 1874597358 HTXUTAIKOOCIPI-LFIBNONCSA-N 431.507 6.037 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)cc1 1874609245 GPYWGERYDMZJNW-SWGQDTFXSA-N 439.870 5.401 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OCC(=O)NCc1ccccc1 1874614602 UMYQPHADHFZVPU-RIYZIHGNSA-N 449.934 5.330 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)c1OCc1ccc(Cl)cc1 1874615417 WPHCBXIESBIVKL-YRNVUSSQSA-N 441.354 7.094 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 1874620765 RLFBMOWZMZPBEU-VMPITWQZSA-N 441.310 6.240 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)cc1F 1874621542 ILQQMZNYLLQMQZ-KPKJPENVSA-N 433.479 5.365 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OCc1ccccc1 1874635548 RRCWFPONLMNALZ-VAWYXSNFSA-N 434.963 7.139 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2c(F)cccc2Cl)c1)c1ccc2ccccc2c1 1874693376 BVROCKDNIZPHLW-SDNWHVSQSA-N 430.862 6.748 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(OC(=O)CC(C)C)c(OC)cc2Br)cc1 1874694814 VJZHYBBONRXIEB-ZHACJKMWSA-N 445.353 5.868 30 10 IKEE CCCc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3cccc(OC)c3)c2)cc1 1874695320 VCVKRXQMGDERSB-DTQAZKPQSA-N 430.500 5.528 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OC(=O)c1ccc(OC)c([N+](=O)[O-])c1 1874702612 ADTLEVRNBGLQKA-IZZDOVSWSA-N 447.443 5.036 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1cccc(/C=C/C(=O)c2cccc3ccccc23)c1 1874708198 RLLHXPKEERIUFC-WUKNDPDISA-N 438.479 5.972 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1cccc(/C=C/C(=O)c2ccc(F)c(F)c2)c1 1874710924 MUUDNFKDYYMFDE-WEVVVXLNSA-N 428.818 5.742 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc(Br)c1O 1874719274 RZBDTBWWXLKAOV-KPKJPENVSA-N 425.278 5.852 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Br)c(O)c(OCC)c2)c(OCC)c1 1874719409 HPPYSTBHOCOHTG-JXMROGBWSA-N 435.314 5.247 30 10 IKEE CC(C)(C)CC(=O)Oc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-] 1875078063 BZLQCQXPBMKNBM-OQLLNIDSSA-N 443.499 6.500 30 10 IKEE O=C(COc1ccc(Cl)cc1)Oc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1 1875094900 OEEGQLUDYZDJOF-FRKPEAEDSA-N 442.898 6.374 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(Cl)c3)c([N+](=O)[O-])c2)cc1 1875100562 HHXMUZPCAIDPRD-XYOKQWHBSA-N 435.863 5.926 30 10 IKEE Cc1cccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1C 1875117928 YVLKWYNVXWKRNA-OVCLIPMQSA-N 431.444 5.092 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)CC(C)(C)C 1875124966 KUIQGFCDVVQSLZ-RMKNXTFCSA-N 436.882 6.255 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)[C@H]1C[C@H]1c1ccccc1Cl 1875136321 JIKLVTDFFZTCFZ-FUURPURISA-N 446.930 6.262 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(C(F)(F)F)cc2)cc1 1875143715 MZNCHUPDAROBNC-AWNIVKPZSA-N 440.417 6.138 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2Cl)cc1C 1875155281 AJDCEWUEJVDRLK-AWNIVKPZSA-N 432.947 7.196 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2Cl)cc1 1875158118 GMWBAVZVMMBKEA-SWGQDTFXSA-N 438.838 5.520 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Br)c1OC(=O)CC(C)C 1875158747 KYKKPAIPBDULLR-BJMVGYQFSA-N 449.316 5.835 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C(C)(C)C)ccc3OC)cc2)cc1 1875161321 KLMAPCYOGFACRX-GZTJUZNOSA-N 442.555 6.670 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)CC3CCCCC3)c([N+](=O)[O-])c2)c(C)c1 1875183087 JURSDYHTMSGAAO-PKNBQFBNSA-N 435.520 6.292 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(/C=C/C(=O)c3cc(Cl)ccc3Cl)cc2)c1 1875191322 HRCVYYJIPNZOPR-KPKJPENVSA-N 439.338 6.654 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@@H](C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)cc1 1912146908 FGZRQVDAOFNFBG-QGZVFWFLSA-N 430.509 5.536 30 10 IKEE CCCCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](CC)C(=O)O 1927425809 CHAQFHRNYZYWIL-DFBJGRDBSA-N 437.580 6.365 30 10 IKEE C=C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)(c1ccccc1)C(C)(C)C(=O)O 1927439110 JQFDNBFFQXZLAE-NDEPHWFRSA-N 441.527 5.717 30 10 IKEE C=CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1scc(Br)c1Br 1930758505 HFGGCGKULOAGRX-SNVBAGLBSA-N 436.169 5.261 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)c1 1945525564 PLCWJCMLDLDPRM-DFQSSKMNSA-N 429.561 5.274 30 10 IKEE CCCCCCCCCC[C@@H](N)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1947478849 DOIQOOGZABIQSK-RPWUZVMVSA-N 434.665 6.345 30 10 IKEE C#Cc1ccc([C@H]2[C@@H](C(=O)O)CCN2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 1952802275 XAKNHWNHRZTSBC-AHWVRZQESA-N 437.495 5.065 30 10 IKEE C=CCCCCCCCC[C@H](N)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2026312750 JNBMCYIHCQIMSI-OEMFJLHTSA-N 432.649 6.119 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2032216050 FHQFWHWXJSBOLG-MZNJEOGPSA-N 447.551 5.544 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCC(C)(C)N(C(=O)OC(C)(C)C)C2)c1 2038518991 IUCFTPHOWORERH-RUZDIDTESA-N 443.588 5.808 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)CC12CCCC2 2074139310 QTSHWUYSUWUVRG-RUZDIDTESA-N 447.620 5.772 30 10 IKEE C#CC[C@H](C[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C1CC1 2075955368 DYCPUQICWYURDO-XNMGPUDCSA-N 426.556 6.318 30 10 IKEE CCc1ccc([C@H](C2CCC2)n2nc(C3CC3)c(C#N)c2I)cc1 2079071492 PJOQCJYSDMSVLN-IBGZPJMESA-N 431.321 5.189 30 10 IKEE CC[C@@H](c1ccc(C(F)(F)F)cc1)n1nc(C(C)(C)C)c(C=NO)c1Br 2079907922 MMCGHVKSQZUEOV-AWEZNQCLSA-N 432.284 5.769 30 10 IKEE CC[C@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C2CCC2)c(C=NO)c1Br 2080006987 SPBLCPKEPQPOSA-OAHLLOKOSA-N 448.258 5.879 30 10 IKEE COc1c2c(nc3c(-c4ccc(C(F)(F)F)cc4F)c(C(F)(F)F)nn13)CCCCC2 2081374638 QCFVEHQBJRZUKN-UHFFFAOYSA-N 447.354 5.851 30 10 IKEE CC[C@@H](C)[C@H]1CSC(=Nc2ccc(Cl)c(I)c2Cl)N1 2136530575 HVFFGYPCHKRAMN-GMSGAONNSA-N 429.154 5.337 30 10 IKEE C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNc2ccc(Br)cc2C#N)cc1 2162316042 DSAWYRHKRCEZNJ-AWEZNQCLSA-N 430.346 5.519 30 10 IKEE C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNc2cccc(Br)c2C#N)cc1 2162320550 LQQYWDKHHJDHHK-AWEZNQCLSA-N 430.346 5.519 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](Cc2ccccc2Br)NCCC)C1 2183011095 KJYFBKUZGNQLAA-LJQANCHMSA-N 437.422 5.221 30 10 IKEE CC1(C)CCC(CNc2cc(Br)cc(C#N)c2)(NC(=O)OC(C)(C)C)CC1 2201479652 GKLKGHYDEMBDML-UHFFFAOYSA-N 436.394 5.596 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CCCC[C@@]2(C#N)N(C(=O)OC(C)(C)C)C2CCCC2)C1 2215767194 QVWVXWVDOBPCRC-DEOSSOPVSA-N 433.593 5.240 30 10 IKEE C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)[C@H]1C[C@H](B2OC(C)(C)C(C)(C)O2)C1 2247817399 UBQKXUITERWHFE-MISYRCLQSA-N 425.403 5.710 30 10 IKEE CCCN[C@@H](C#CC1CCCC1)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2251415724 YYMQPJCDYFYMTG-ZEQRLZLVSA-N 428.617 5.048 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Cl)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2252759714 UNARPWYSOFKSJC-HSZRJFAPSA-N 441.015 5.887 30 10 IKEE C=CCCC1([C@@H](N)c2ccc(Cl)cc2Br)CN(C(=O)OC(C)(C)C)C1 2255004580 VBJIUIVWCOMHGD-INIZCTEOSA-N 429.786 5.306 30 10 IKEE C=CCCC1([C@H](NC)c2ccc(Br)cc2F)CN(C(=O)OC(C)(C)C)C1 2266306614 YWPVENODOJUMAJ-QGZVFWFLSA-N 427.358 5.052 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2)OC(=CC2=Cc4ccccc4O[C@@H]2C)C3=O)cc1 2296868473 JFDAJWXBYOTKBR-MRXNPFEDSA-N 440.451 5.238 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(OCc4ccccc4)c3C)C2=O)c2cc(OC)ccc21 2296872025 QNSBUEADBQLWEJ-UHFFFAOYSA-N 439.511 6.173 30 10 IKEE Cc1ccc(C(Cl)=C(C=NNc2ccccc2)c2cc(C#N)c(C#N)cc2[N+](=O)[O-])cc1 2297578222 HINHWLVSYWRIKX-UHFFFAOYSA-N 441.878 5.852 30 10 IKEE C=CCN1C(=O)C(=C2Sc3ccc(OC)cc3N2CC)SC1=NCc1ccccc1 2297707799 MOTQSAQBNGZBHN-UHFFFAOYSA-N 437.590 5.114 30 10 IKEE CCC(=Nc1ccc(OC)cc1)c1c(C(F)(F)F)nn(-c2nc3ccccc3s2)c1O 2297747971 YWMGQEOPXZJRCW-UHFFFAOYSA-N 446.454 5.746 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@@H]2C[C@H]1C[C@@H]2NC(=O)OC(C)(C)C 2308988560 XYKMGLHAKOKUNN-WSZYKNRRSA-N 441.572 5.322 30 10 IKEE O=C1NC(=Nc2ccccc2Cl)SC1=Cc1ccc(-c2ccccc2C(F)(F)F)o1 2313670811 XVXLXYOEKJDEGR-UHFFFAOYSA-N 448.853 6.510 30 10 IKEE CCCCOc1ccc(C=Nn2c(CCCC)nnc2SCc2cccc(C)c2)cc1 2318574616 OKGBVLCFHKESHL-UHFFFAOYSA-N 436.625 6.283 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C2CC2)cc1 2320892396 QXYGSEJYMUUXBU-UHFFFAOYSA-N 445.419 6.760 30 10 IKEE CC(C)(C)Cc1nnc(S)n1N=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1 2321937289 RRBJHDHVVWKASS-UHFFFAOYSA-N 449.407 5.923 30 10 IKEE O=C(COc1ccccc1C=CC(=O)c1ccc2ccccc2c1)Nc1ccccc1F 2322312617 YHVSTILTGIETNB-UHFFFAOYSA-N 425.459 5.893 30 10 IKEE CC[C@H](C)N1COc2c(cc3c(c2C)OC(=Cc2cccc(Br)c2)C3=O)C1 2322371175 OUNAPLNWSYURLB-ZDUSSCGKSA-N 428.326 5.324 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccccc2CC)cc1 2322549475 HHVGKNPYGZCELI-UHFFFAOYSA-N 429.516 5.561 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCc2ccccc2C)cc1F 2322708518 CWLUXRISGGWNAD-UHFFFAOYSA-N 440.898 6.280 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C)c(C)c2)c1OCC(=O)Nc1ccc(C)cc1 2322901023 HKNZEKYRBNDZBF-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1ccc2c(c1)OC(=Cc1cccc(Cl)c1)C2=O 2323399719 PCELDTZVQPQBNF-UHFFFAOYSA-N 440.882 6.258 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)Cc4cc(Cl)ccc4Cl)ccc3C2=O)o1 2323404127 XFKXFNXJBDHEHE-UHFFFAOYSA-N 429.255 5.659 30 10 IKEE Cc1c(OC(=O)Cc2cc(Cl)ccc2Cl)ccc2c1OC(=Cc1cccnc1)C2=O 2323404350 AEMCOCBASHDHKI-UHFFFAOYSA-N 440.282 5.461 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2ccc(OC)c(OC)c2)cc1 2323439303 FNAWASBZHSEJNH-UHFFFAOYSA-N 445.515 5.180 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1OC 2323802626 QYDDSPNCKIEGGY-UHFFFAOYSA-N 449.934 5.825 30 10 IKEE CCOc1cc(C=NNc2nc(-c3ccc(OC)cc3)cs2)cc(Cl)c1OC(C)C 2323840519 MNZGTNXAQPPBOC-UHFFFAOYSA-N 445.972 6.104 30 10 IKEE C=C(C)COc1c(Br)cc(C=CC(=O)c2cccc3ccccc23)cc1OC 2324140733 KOIMXOFKMYFOQC-UHFFFAOYSA-N 437.333 6.462 30 10 IKEE CCCOc1c(Cl)cc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)cc1OC 2324319141 GYHGNRYWQGVSFO-UHFFFAOYSA-N 429.727 6.349 30 10 IKEE Cc1ccc(COc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2Br)cc1 2324450249 DWVXLZKEPDILCN-UHFFFAOYSA-N 435.361 6.849 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccccc2C)C3=O)cc1 2324490844 UEFLIQOTNQZIRX-IBGZPJMESA-N 441.527 5.888 30 10 IKEE COc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4cccc(C)c4C)ccc3C2=O)cc1 2324494771 GSQOQXSLYZKMSL-SFHVURJKSA-N 443.499 5.334 30 10 IKEE Cc1cccc(OCCOc2ccc3c(c2)OC(=Cc2c(Cl)cccc2Cl)C3=O)c1 2324522504 BJCWFYHNTFVOIO-UHFFFAOYSA-N 441.310 6.376 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OCC(=O)NC3CCCCC3)c(Cl)c2)c(C)c1 2324545992 PHHZQRSCOHZHOB-UHFFFAOYSA-N 439.983 5.989 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3cc(OCCOc4ccc(Cl)cc4)ccc3C2=O)cc1 2324665839 JYPJFEIZAJEIKB-UHFFFAOYSA-N 448.946 6.712 30 10 IKEE CCc1ccc(NC(C)=O)cc1NC(=O)C(=O)C=Cc1cccc(OCc2ccccc2)c1 2325669725 VPAHKGUUVHLUKA-UHFFFAOYSA-N 442.515 5.007 30 10 IKEE Cc1cc(OCC(=O)Nc2ccccc2)cc2c1C(=O)C(=Cc1cn(C)c3ccccc13)O2 2325740064 HWHYHCWSIDBWHD-UHFFFAOYSA-N 438.483 5.120 30 10 IKEE CCOc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3cc(C)ccc3C)c2)cc1 2325740780 FINIGLSELUXNKC-UHFFFAOYSA-N 430.500 5.583 30 10 IKEE COc1ccc(C=CC(=O)c2cccc3ccccc23)cc1OC(=O)[C@@H](C)c1ccccc1 2325749476 IYRJUDMJEOZCAV-FQEVSTJZSA-N 436.507 6.454 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC)c(OC(=O)CC(C)(C)C)c2)c1 2325758002 IBNPSOKWDYCDAI-UHFFFAOYSA-N 440.536 5.730 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccccc3OC)c2)cc1Cl 2325768225 MQZGJSQPIBYBHI-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE CCCCCCC(=O)Oc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)ccc1OC 2325773229 UGPYBXOYEOCESV-UHFFFAOYSA-N 435.347 6.774 30 10 IKEE C=CCCN(Cc1ccccc1)C1(C(=O)O)CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 2326078033 XZRFZNJPDYPRLW-UHFFFAOYSA-N 442.600 5.089 30 10 IKEE Cc1cc(C)cc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccc(O)cc2)c1 2326418035 QHDRGPSSIWYEGW-UHFFFAOYSA-N 442.588 5.560 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1cc(Cl)c(O)c(Cl)c1 2326442770 KUNYBHKJGMIPQK-UHFFFAOYSA-N 449.407 6.034 30 10 IKEE CCCCOc1ccc(C=Nn2c(CCCOc3ccccc3C)nnc2SC)cc1 2327048009 MZVKDUQEQHHQNO-UHFFFAOYSA-N 438.597 5.381 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3Cl)n2N=Cc2ccco2)cc1 2327920022 GNEWFVUUKLQNSW-UHFFFAOYSA-N 436.968 5.793 30 10 IKEE CCSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1ccc(Br)cc1 2328940850 CUUFMTAOOHSRGQ-UHFFFAOYSA-N 443.414 5.437 30 10 IKEE Cc1ccccc1CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1cccc(F)c1 2330057391 QALBVYYGUMUGEP-LJQANCHMSA-N 430.552 6.052 30 10 IKEE COc1ccccc1C=Nn1c(SCc2cccc(C)c2)nnc1[C@H](C)c1ccccc1 2330069269 IOVBVZLFLJEERJ-HXUWFJFHSA-N 442.588 5.921 30 10 IKEE Cc1cccc(CSc2nnc([C@@H](C)c3ccccc3)n2N=Cc2cc(C)ccc2O)c1 2330075776 QNUOYQDLOCIIKX-FQEVSTJZSA-N 442.588 5.927 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)C=Cc1ccc(C)cc1)c1ccccc1 2330296578 SOYYJFZCTXBLDU-MHZLTWQESA-N 434.624 6.123 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2cccc(Cl)c2)cc1 2330452796 WBHRYISQUDNJCZ-UHFFFAOYSA-N 432.980 6.005 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2ccccn2)cc1Cl 2330692971 MKSCQDKZGMNURA-UHFFFAOYSA-N 440.359 5.821 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)(C)C)n2N=Cc2cc(Cl)ccc2O)c1 2330848065 AZVFQAKJBSFWNB-UHFFFAOYSA-N 443.016 6.017 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(C)c2)cc(OC)c1OC(=O)c1ccccc1 2330879288 QCIIBNKWYDTQGI-UHFFFAOYSA-N 442.511 5.856 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2[C@@H]2CCCO2)cc1 2330993551 YKVFLGNLRIFPTR-NRFANRHFSA-N 441.000 6.081 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2331018322 LFCRYDVLOZTHFV-UHFFFAOYSA-N 435.863 5.683 30 10 IKEE Cc1cc(OCCCC(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2)cc(C)c1Cl 2331162061 OTINBXYLROLSIR-UHFFFAOYSA-N 448.946 6.618 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)c1cc(Cl)ccc1Cl 2331179458 ZCJVWDLPWFDCKG-UHFFFAOYSA-N 441.310 6.507 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)c1ccc(F)cc1 2331214692 NJAVYPSMLOTDAB-UHFFFAOYSA-N 438.882 6.220 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC(=O)C(C)(C)C 2331250689 ULOSPFPEHAZYHH-UHFFFAOYSA-N 447.358 6.578 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccc(CC)cc3)cc2)cc1 2331295886 QBBCRBPZNCTINE-UHFFFAOYSA-N 442.555 6.472 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3ccccc3)c(OC)c2)cc1 2331300476 ISJGPMDBJFTTEP-UHFFFAOYSA-N 446.499 5.608 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)c1cccnc1 2331328816 OXPXMGAYWXMTAO-UHFFFAOYSA-N 427.500 5.551 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)c3cncc(C)c3)c(Cl)c2)c1 2331385443 DNXOJPNXRNGYFM-UHFFFAOYSA-N 437.879 5.176 30 10 IKEE CCCCCOc1ccc(C=Nn2c(COC)nnc2SCc2ccccc2C)cc1 2331554728 GBIRCKPGINJIRK-UHFFFAOYSA-N 438.597 5.476 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccnc2)c(Br)c1)c1ccc(F)c(F)c1 2331560180 DVQSXBKIBXSMQW-UHFFFAOYSA-N 444.231 5.238 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1ccc(C)c(C)c1 2331657627 KHORSUFFFWSJEY-UHFFFAOYSA-N 442.555 6.661 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)C=Cc2ccc(C)cc2)n(-c2cccc(Cl)c2)n1 2331669980 ZUJFRHQPFGOGMI-UHFFFAOYSA-N 433.943 5.059 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)c3sccc3C)cc2)c1 2331673765 DPTJTJGZQWABQY-UHFFFAOYSA-N 436.529 5.969 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2ccc(OC(=O)C(F)(F)F)c(Cl)c2)cc1Cl 2331696207 DIIUPJKQGBAQMR-UHFFFAOYSA-N 449.208 5.374 30 10 IKEE CCCOc1c(C=Nn2c(SCCc3ccccc3)nnc2C(C)C)cccc1OC 2331704373 GGAFBKOQDMUWQL-UHFFFAOYSA-N 438.597 5.416 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Cl)cc(Br)c1F 2337104888 RTTXASRDYADOOL-RDJZCZTQSA-N 449.792 5.752 30 10 IKEE CC(C)N(C[C@@H](C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2339588740 MUJAPVWBTHYGPZ-GOSISDBHSA-N 446.397 5.139 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2cc(Br)c(C#N)cc2F)C[C@H]2CCC[C@@H]21 2360243728 OEWXZVCPZWWYPD-IAISJRAMSA-N 438.341 5.050 30 10 IKEE CCCN[C@@H](C#Cc1cccs1)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2363633226 GOCPGSFAICGBQC-IBGZPJMESA-N 449.414 5.950 30 10 IKEE CCc1csc(C#CC(=O)c2cc(Cl)c(NC(=O)OC(C)(C)C)c(Cl)c2)n1 2363985939 SFXZMJROXFVQKK-UHFFFAOYSA-N 425.337 5.594 30 10 IKEE CSc1nn(-c2cc(Oc3ccc(Cl)cc3C)nc(-c3ccccc3)n2)c(N)c1C#N 644450 GRFHUXOYPACACR-UHFFFAOYSA-N 448.939 5.259 30 10 IKEE O=C1CCCC2=C1[C@@H](c1cccs1)n1nc(SCc3ccccc3Cl)nc1N2 1283605 LYLKXALWDMFGQR-GOSISDBHSA-N 428.970 5.307 30 10 IKEE CCCCCCCCNC(=O)c1sc2ncn(Cc3cccc(F)c3)c(=O)c2c1C 2911172 DMMFBQQLASUYCM-UHFFFAOYSA-N 429.561 5.044 30 10 IKEE Cc1cccc(C)c1NC(=S)N/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 3041289 ABOQKWNJQOUHAM-QYQHSDTDSA-N 448.979 5.194 30 10 IKEE C=C(C)CN1C(=O)[C@@H](C)Oc2cc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)ccc21 12081282 FUXJQNITBDLZJQ-UONOGXRCSA-N 449.334 5.089 30 10 IKEE CC(C)c1ccc(/N=C2/C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)cc1 20550224 ILNFIRIPCIGYAA-SOYKGTTHSA-N 447.376 6.283 30 10 IKEE CC(C)COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc3ccccc23)cc1 20885352 IMDYEQJODGBJAB-OFVILXPXSA-N 439.555 5.879 30 10 IKEE COc1cc(/C=C\C(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1ccccc1 34954564 ZJDQWYLQDKZFMS-PDGQHHTCSA-N 434.491 6.478 30 10 IKEE C=CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc(C)cc2)cc1 39824376 AVBMOHOCTFCIJF-VWLOTQADSA-N 437.495 5.412 30 10 IKEE O=C(O)c1cccc(/N=C2/S/C(=C\c3ccc(Cl)cc3)C(=O)N2C2CCCCC2)c1 39866843 ALXCURHREGDIEP-DMDNQVQLSA-N 440.952 5.975 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1cccc(OCCC)c1 40096005 WGYPXSHLDDWHAB-MZNJEOGPSA-N 449.547 5.177 30 10 IKEE Cc1cc(OC(=O)c2ccc(C(C)(C)C)cc2)cc2c1C(=O)/C(=C/c1ccccc1F)O2 41288546 XTWARILDTJDVOX-UCQKPKSFSA-N 430.475 6.267 30 10 IKEE Cc1cc(C)c(CSc2nnc(N/N=C/c3cccc(Oc4ccccc4)c3)[nH]2)c(C)c1 58994707 GBASGQMYLGRTNM-CVKSISIWSA-N 443.576 6.261 30 10 IKEE CCCCCCOc1ccc(/C=N/Nc2nnc3c4ccccc4n(CCCC)c3n2)cc1 64981549 XAWCHGAKSUDRMC-ZXVVBBHZSA-N 444.583 6.185 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)CCC(=O)OCCc1ccccc1 100125488 MUGXZPNQXBOCOM-UHFFFAOYSA-N 445.688 7.150 30 10 IKEE CCCCCCCOc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1 100155528 YSPASLWFZPLFEG-UHFFFAOYSA-N 439.408 6.469 30 10 IKEE CCCCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N/c1cccc(Cl)c1 100176132 LDWJTYZMHKQKOY-MWWVQSJNSA-N 444.025 6.504 30 10 IKEE COc1ccc(/C=C2/S/C(=N/Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1OC 100305582 LVNLWCCVSQOFEF-PHSRYYMBSA-N 444.556 5.377 30 10 IKEE CN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S/C1=N/c1ccccn1 101123856 MBNNLKHTWLDFKT-URWIEHKQSA-N 435.936 5.548 30 10 IKEE O=C1/C(=C\c2ccc(N3CCOCC3)cc2)S/C(=N/c2ccccc2)N1c1ccccc1 101470237 ZXSBMSDOJFHBCQ-ZLFJWLGHSA-N 441.556 5.332 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1c(F)cccc1Cl 138206829 ZCKZTFSVAHORBD-UYOCIXKTSA-N 429.735 5.860 30 10 IKEE CCCN1C(=S)N[C@H](c2cc(Cl)c(OC)c(Cl)c2)C(C(=O)c2ccccc2)=C1C 169929066 HRXHQCDEIGMUGX-LJQANCHMSA-N 449.403 5.800 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1c1cccc(C)c1 169941879 FEPPGMBYJGUVDP-SANMLTNESA-N 449.506 5.940 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(N(C)C)cc1 169954127 DOADOCPQOFUIMK-QHCPKHFHSA-N 446.934 5.497 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@H]2c2cccc(C)c2)cc1 169973131 YNBASXPVYDSPQM-QHCPKHFHSA-N 437.499 5.217 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2cccs2)cc1 169983082 DUJOQRLQFTXIJO-QFIPXVFZSA-N 447.512 5.383 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2ccccn2)c1 169993965 FFVLVBWRNIBHEB-JOCHJYFZSA-N 432.907 5.443 30 10 IKEE CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccccc2)cc1 170053333 STDNIUPVGXGRRF-DEOSSOPVSA-N 440.499 5.045 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccccn2)c1 170172683 SQVSSBDXEZXOOP-DEOSSOPVSA-N 442.515 5.270 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccncc2)cc1C(C)C 170198185 IVSIUNNXVZGBPS-QFIPXVFZSA-N 448.544 5.054 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1ccccc1 170224192 WBFDJBFPKZFZPB-QFIPXVFZSA-N 447.918 5.748 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccccc1 170227313 XHIKTTKXEURDTL-QFIPXVFZSA-N 447.918 5.748 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1ccccc1)c1cc2ccccc2o1 170229489 IBTQLWQMJZMYOI-JOCHJYFZSA-N 431.394 5.494 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@H]1c1ccc(Cl)cc1 170236183 UWCHKDZOTUPMER-LJQANCHMSA-N 434.319 5.380 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccc(O)c2)cc1 170256875 VJGWENQVRRCBGN-JOCHJYFZSA-N 449.528 5.021 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1C 170271215 KDYXISJMKBERQI-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cc(C(C)(C)C)ccc3C)[C@@H]2c2ccco2)c1 170282749 KPKDJYGBMCGAIG-DEOSSOPVSA-N 443.543 6.285 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC(C)C)cc3)[C@@H]2c2ccco2)c1 170283028 SWBDELWKZRHXND-QHCPKHFHSA-N 431.488 5.406 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cccc3ccccc23)[C@@H]1c1ccco1 170287121 MBXMZAZPOCWEJR-HSZRJFAPSA-N 425.440 5.224 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccco1)c1ccc(Cl)c(Cl)c1 170296120 PANSUMZYUJCYQR-IBGZPJMESA-N 446.261 5.504 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@H]1c1ccc(C)o1 170300119 XDTATPCRFZJGDB-QHCPKHFHSA-N 447.487 5.005 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(Cl)cc(Cl)c2)c1 170388533 RMLAMOZNIXOVAB-NRFANRHFSA-N 438.310 6.085 30 10 IKEE Brc1ccc(-c2ccc(C=Nc3ccc4oc(-c5ccccc5)nc4c3)o2)cc1 252594126 BPSQKYICWHFBQG-UHFFFAOYSA-N 443.300 7.268 30 10 IKEE CCOc1cc2c(cc1/C=C1\SC(=Nc3ccccc3)N(Cc3ccco3)C1=O)OCO2 252627207 ROUYAPDUUUROKS-PHCYPTEHSA-N 448.500 5.211 30 10 IKEE Cc1c(F)c(F)c(COC(=O)[C@@H](c2ccc(OC(F)(F)F)cc2)C2CC2)c(F)c1F 253598917 WJRLIEYALYCOEN-CQSZACIVSA-N 436.323 5.687 30 10 IKEE Cc1cccc(N2C(=O)/C(=C3/Sc4ccccc4N3C)SC2=Nc2ccc(O)cc2)c1 254344694 ZRGPRCMJWHCLBQ-SEYIQKDNSA-N 445.569 5.879 30 10 IKEE CCOC(=O)Nc1sc(NN=Cc2ccc(O)c(OCC)c2)nc1-c1ccc(C)cc1 254630609 MIYJFOUQMSPWEF-UHFFFAOYSA-N 440.525 5.237 30 10 IKEE C(=Nc1ccc2c(c1)oc1ccccc12)c1ccc(Sc2nc3ccccc3s2)o1 254729765 HWUKPMIPAFWQGJ-UHFFFAOYSA-N 426.522 7.691 30 10 IKEE C=C(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3[C@@](C)(CO)[C@@H](O)CC[C@@]34C)[C@@H]12 256965882 RFCPTXGFYWKJJB-ROVSVTBSSA-N 442.728 6.997 30 10 IKEE N#Cc1cc(Br)cnc1Oc1ccc(Br)cc1Br 311229225 ZCEPTYNBMPVXRN-UHFFFAOYSA-N 432.897 5.033 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Br)ccc1C)NCCC 407716376 SVPXJLDKQBVOQK-VQTJNVASSA-N 439.438 5.528 30 10 IKEE Cc1ccc([C@H]2C(c3ccc(Cl)cc3Cl)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526521380 LYABEDZYQVSADX-QFIPXVFZSA-N 435.310 6.231 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2c(C)[nH]c3ccccc23)cc1 526603821 PCTFZPMEGJSMFE-AREMUKBSSA-N 449.510 5.804 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1ccc(O)c(Cl)c1 526813833 AXTVUYZKVDVLBE-AFPJDJCSSA-N 441.771 5.681 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1c(C)n(C)c2ccccc12 526825255 BOEJOGPTLRUOHN-YSMPRRRNSA-N 435.572 5.734 30 10 IKEE COc1ccc(Cl)cc1S(=O)(=O)N(Cc1cccc(C#N)c1)[C@H](C)c1ccccc1 586156273 MDXKCTMJWSPYGI-QGZVFWFLSA-N 440.952 5.172 30 10 IKEE C=C(CC)C[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCC 686827957 WCSWLBYFAPLEAN-QHCPKHFHSA-N 429.649 5.270 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)C1(C#N)CC(c2ccccc2)C1 698410633 ZXBCWMMKABVBQC-UHFFFAOYSA-N 427.342 6.031 30 10 IKEE C[C@H]1N(C(=O)OC(C)(C)C)CCC[C@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 698899433 JVLMNFVEGPCKJA-OPAMFIHVSA-N 435.590 5.167 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 698943452 YAMKMZZUQPNFQT-WAIKUNEKSA-N 433.524 5.106 30 10 IKEE COc1ccc(CSc2n[nH]c(NN=Cc3ccc(OCc4ccccc4)cc3)n2)cc1 1084224191 WUZJCSCXYCPSCO-UHFFFAOYSA-N 445.548 5.131 30 10 IKEE CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)O[C@@H](C#N)c1csc(C(=O)c2ccccc2)c1 1614949291 BSOHZJRXOVVHGV-RVKKMQEKSA-N 434.344 5.678 30 10 IKEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2[C@@H]2C[C@H]2CF)C1 1705916540 PXMNYITVNSOCIT-PIKOESSRSA-N 448.970 5.000 30 10 IKEE COc1ccc(/C=C2\SC(=Nc3cccc(C)n3)N(c3ccccc3)C2=O)c(OC)c1 1772735956 JTYQLTVCFRYLGV-UDYULTBOSA-N 431.517 5.216 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=Nc1nnc(C)s1 1772740036 YJDAFLYJXNSTMU-NIHZCWFLSA-N 430.942 5.384 30 10 IKEE CC(=C/c1ccccc1)/C=C1\SC(=NN=Cc2ccc(F)cc2)N(Cc2ccco2)C1=O 1772758397 UJKPMUGWBHKUAV-YLESHHBMSA-N 445.519 5.872 30 10 IKEE C[C@H]1CCCC[C@@H]1N(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(F)c1 1859946789 FZERCVDEACJGAC-DJJJIMSYSA-N 447.394 7.089 30 10 IKEE O=C(/C=C/c1ccc(C(F)(F)F)cc1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 1860724800 UBGLITWXECGBIJ-XYOKQWHBSA-N 445.824 6.372 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)c1ccc2nc(CC(C)C)[nH]c2c1 1861452140 YTROIVGXDXWUMF-JOCHJYFZSA-N 442.648 5.527 30 10 IKEE CCCCCCCCNC(=O)[C@@H](NC(=O)COc1ccc(Cl)c(C)c1)c1ccccc1 1861638904 GIAPHMWSEZIQBA-DEOSSOPVSA-N 445.003 5.361 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2cc(C)ccc2OC)n(Cc2cccc(Cl)c2)n1 1862350698 PMKYOSQYXFDMJI-UHFFFAOYSA-N 435.955 5.383 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2Cl)=C(O)C(=O)N1CCCCCO 1862382411 MSTIXEXMZHVUQO-HXUWFJFHSA-N 448.346 5.043 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1cccc(O)c1 1862412096 WPUNZQVRMNXJQB-HTAPYJJXSA-N 443.490 5.608 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1cccc(Cl)c1)c1ccc(F)cc1F 1862416507 HCRKPYIAPUZXOI-NRFANRHFSA-N 439.845 5.397 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862446858 CIIRLDOVJMEVPT-HSZRJFAPSA-N 447.918 5.517 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1cccc(O)c1)c1c(F)cc(F)cc1F 1862457295 MLZLQUJXSJANRU-OAQYLSRUSA-N 445.437 5.111 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(F)cc2F)cc1 1862477188 JBBFPQUXCJROIH-HSZRJFAPSA-N 449.453 5.060 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(N(CC)CC)cc1 1862482312 MMODNYYZYOHWNC-RUZDIDTESA-N 448.607 6.000 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CC)cc1OCC 1862499342 DZUSBBUCPCGGSD-HSZRJFAPSA-N 437.536 5.089 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(C)cc1 1862508184 YLMBZFFPBYQTJX-HSZRJFAPSA-N 439.527 5.228 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2C2CCCCC2)ccc1O 1862536821 IIONDBXVXCHBMI-XMMPIXPASA-N 449.547 5.264 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2ccc(Cl)cc2Cl)cc1 1862538253 FAZNFELXIPKKKQ-RNODOKPDSA-N 432.347 5.933 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1cccc(F)c1)c1ccc2c(c1)CCCC2 1862544994 QFHVEJDJZQBLOP-RUZDIDTESA-N 447.550 6.006 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(F)cc1F 1862675388 JKQAXTWHTJGYEE-JOCHJYFZSA-N 445.481 6.043 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2Cc2cccnc2)cc1 1862715547 OSSHTHUPSZIOHK-SANMLTNESA-N 448.522 5.576 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C(C)C)cc1 1862721966 UHTJMIYSMLOMAV-RUZDIDTESA-N 443.543 6.005 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccccc1F 1862724255 KIIGLCXKXJKAGF-MZNJEOGPSA-N 429.491 5.870 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccc(F)c(Cl)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1863029846 YPYDCHUOMPUHID-UHFFFAOYSA-N 445.881 5.364 30 10 IKEE CCCCCCN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2cc(Cl)ccc2Cl)C1=O 1863387805 ZOPULVAUIIXOKQ-UHFFFAOYSA-N 442.346 5.637 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(OCCCCCC)cc2)=C(c2c[nH]c3ccccc23)C1=O 1863490973 WJUZDNIENOBEFH-UHFFFAOYSA-N 443.547 5.505 30 10 IKEE CCCCCCOc1ccc2[nH]c(C(=O)Nc3sc4c(c3C#N)CCC4)cc(=O)c2c1 1866527427 VCDDTYSJNMVLGX-UHFFFAOYSA-N 435.549 5.161 30 10 IKEE C=CCN(CC=C)c1cc(N2CCOc3ccccc32)nc(-c2ccc(C(C)(C)C)cc2)n1 1867998087 QMAJWQJGWNAYBG-UHFFFAOYSA-N 440.591 6.150 30 10 IKEE Cc1ccc(C)c2c1C[C@H](C)CN2c1cc(Nc2cccc(C#N)c2)nc(C(C)(C)C)n1 1868333658 PUQHCUUJBFEWCS-KRWDZBQOSA-N 425.580 6.337 30 10 IKEE C=CCn1cc(OCCCCOc2ccccc2C)c(=O)cc1CN1C[C@H](C)C[C@@H](C)C1 1870322181 RIIRXHXPBIPJPO-FGZHOGPDSA-N 438.612 5.059 30 10 IKEE CCCCCCCOc1cn(CCO)c(CNc2ccc(-c3ccccc3C)cc2)cc1=O 1870838654 NSHKPEVWYIRGFS-UHFFFAOYSA-N 448.607 5.777 30 10 IKEE C=CCn1cc(OCC2CCCCC2)c(=O)cc1CNc1ccc(OCC)c(OCC)c1 1870913543 RULUXKYHAPSRIJ-UHFFFAOYSA-N 440.584 5.403 30 10 IKEE Cc1cccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCC(C)C)c1C 1871251950 DKXNHRVWPINUIR-UHFFFAOYSA-N 429.564 5.574 30 10 IKEE Cc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)cc1 1871366618 IIOHLXMHTGTBQT-FDTILGBMSA-N 427.412 5.138 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OC(=O)c4ccc(Cl)c(Cl)c4)ccc3C2=O)c1 1871372474 TXVDZZUPVCFPPH-FBHDLOMBSA-N 425.267 6.137 30 10 IKEE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871384045 VNOJDIUFBNEVOQ-XAABERSQSA-N 440.495 6.113 30 10 IKEE CCCC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871391288 WSODARSPWUDEGJ-XKZIYDEJSA-N 446.455 5.437 30 10 IKEE Cc1ccc(OCCCOc2ccc3c(c2C)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871405926 MYPRESDGZNGPKN-SUNKIAIMSA-N 426.512 6.324 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1 1871411433 NLEQUYDOQMNSHS-MGKUZBKYSA-N 441.527 5.888 30 10 IKEE Cc1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2cccs2)C3=O)c1C 1871414662 VTMPKXXZJWRNBY-VYZAVGSRSA-N 433.529 5.696 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2Cl)C3=O)c(C)c1 1871418573 AMLCWFXSJIHHNI-FMCGGJTJSA-N 447.918 5.899 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4)cc(C)c3C2=O)cc1 1871460455 NDEOQEDPOUSJKB-UCQKPKSFSA-N 429.472 5.027 30 10 IKEE CCCCCCCCCCN=c1nc(N2CCC[C@H](C)C2)[nH]c(=Nc2ccccc2C)[nH]1 1871484323 YUZPJUQOUVQULT-NRFANRHFSA-N 438.664 5.556 30 10 IKEE CCCCCCCCN=c1nc(N2CCC[C@@H](C)C2)[nH]c(=Nc2cccc(Cl)c2C)[nH]1 1871491593 IUSMFWOMXDSDSS-GOSISDBHSA-N 445.055 5.430 30 10 IKEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1872070386 UFDRLHFKCWMGLD-JOCHJYFZSA-N 446.588 5.043 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872230702 VQIRRYPRHHNOHT-JOCHJYFZSA-N 449.016 5.331 30 10 IKEE Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)ccc1[N+](=O)[O-] 1872759099 DSENRKIAGRFAQB-NRFANRHFSA-N 439.496 6.184 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3cccc([N+](=O)[O-])c3)n2)cc1 1872762629 SFKUUCYWMBVQNO-QYFOZDBKSA-N 431.517 5.951 30 10 IKEE CC(C)COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 1872762810 XCSLVDQWIALPEH-GOSISDBHSA-N 445.371 6.642 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3F)n2)cc1OCCC 1872767412 QVWPXKGGJBRNBV-GOSISDBHSA-N 438.524 6.017 30 10 IKEE Cc1cc(OCC(=O)[C@@H](C#N)c2nc(-c3cccc4ccccc34)cs2)cc(C)c1Cl 1872775570 UIVHYZYFFUFOAX-OAQYLSRUSA-N 446.959 6.489 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@@H](C#N)C(=O)c3ccc([N+](=O)[O-])cc3)n2)c1 1872781670 XIDVZEYQZJPFEE-SFHVURJKSA-N 437.477 5.006 30 10 IKEE COc1cc(OC)c(-c2csc([C@H](C#N)C(=O)Cc3ccc(Cl)cc3)n2)cc1Cl 1872782089 CWOJPFDEUMCFJW-OAHLLOKOSA-N 447.343 5.553 30 10 IKEE COc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2cc(C(C)(C)C)ccc2C)cs1 1872785024 CREOYDPCYAALRZ-IBGZPJMESA-N 434.561 5.680 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)c2ccc(Cl)c(Cl)c2)n1 1872785214 IRARMHXIYZYQPZ-KRWDZBQOSA-N 443.399 7.213 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(CCCC)cc2)=C(c2ccccc2C)C1=O 1873305739 SBXNVJQXATXXQU-UHFFFAOYSA-N 446.635 6.890 30 10 IKEE CCOc1cc(/C=N/n2c(S)nnc2CC(C)C)ccc1OCc1cccc(Cl)c1 1873502780 VKMRMEMHNUCNIE-ZMOGYAJESA-N 444.988 5.279 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(F)c(F)c2)cc2c(NCCc3ccc(C)cc3)ncnc21 1873616785 HWCDYVRCAOVBKX-UHFFFAOYSA-N 447.489 5.111 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(F)cc1)n2CC 1873629041 HUUZXZBCIYNYMI-UHFFFAOYSA-N 439.579 6.395 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1CC(=O)N([C@H](C)C23CC4CC(CC(C4)C2)C3)C1 1873937052 XRESFGQFHPLRCN-PIBSVWAQSA-N 430.677 5.697 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccncc1 1874281115 RSTZZZOXSHFCGI-JVWAILMASA-N 447.995 5.595 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccc(C)cc3)n2/N=C/c2ccco2)cc1 1874302219 MSBMVPCGTBFQIX-PCLIKHOPSA-N 432.549 5.344 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2)n1/N=C/c1ccccc1C(=O)O 1874395833 WRSAEJSOBRRKQT-PMFZIYJTSA-N 442.544 5.303 30 10 IKEE C=C(C)CSc1nnc(-c2ccco2)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874466447 KDFXOKXQPFKNPC-MFKUBSTISA-N 444.516 5.308 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1/N=C/c1cccc(OC)c1OCCC 1874476098 GCVOSVPTPZOKBR-KOEQRZSOSA-N 438.597 5.593 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1c[nH]c2ccccc12 1874479255 QUHOJZHZYIZUJE-OGLMXYFKSA-N 439.588 6.430 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C(C)C)cc1 1874515785 PWSBGLLSKHVACN-MFKUBSTISA-N 442.032 6.076 30 10 IKEE CCCCCOc1ccccc1/C=N/n1c(S)nnc1CCCOc1ccc(C)cc1 1874566774 NHNJERXJMNBAJU-XIEYBQDHSA-N 438.597 5.338 30 10 IKEE CC(C)Oc1cccc(/C=N/n2c(S)nnc2CCCOc2ccc3ccccc3c2)c1 1874569104 HKHYMPFUPAIKQZ-YZSQISJMSA-N 446.576 5.401 30 10 IKEE O=C(COc1ccc2ccccc2c1/C=C/C(=O)c1ccccc1)Nc1ccc(F)cc1 1874578203 BGIHNDGVDZMRPL-FOCLMDBBSA-N 425.459 5.893 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccccc2)c1OCc1cccc2ccccc12 1874578642 ZBFMHIIHMBHYCO-CCEZHUSRSA-N 428.915 6.977 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(C)ccc2C)c1OCC(=O)Nc1ccc(C)c(C)c1 1874580574 UXQVARJVCISEOU-WYMLVPIESA-N 443.543 5.842 30 10 IKEE COC(=O)c1ccc(COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(OC)c(F)c2)o1 1874582374 KYEKKKMHSDVLLT-XVNBXDOJSA-N 444.842 5.342 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OCC(=O)Nc1c(C)cccc1C 1874596547 YPLFJGRYXBLEHB-XYOKQWHBSA-N 447.506 5.673 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc1OCc1cccc(F)c1 1874601083 SAKOVRLUCZUCGN-JLHYYAGUSA-N 442.486 6.471 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Cl)c1OCC(=O)OCC(C)C 1874611852 VOULSSDIRYXAHX-QPJJXVBHSA-N 438.854 5.101 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)c(C)c1 1874617678 OKLZDHQGBZTDPJ-IZZDOVSWSA-N 439.324 6.680 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)c2)cc1 1874694894 ZMDKMZQKGLBRRK-PXUCQJMWSA-N 430.931 6.508 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccc(F)cc3)c2)cc1C 1874696016 DRQRZYXJSIUQPY-IZZDOVSWSA-N 434.463 5.196 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1 1874698855 QUMPVNSQIZKYJL-FMIVXFBMSA-N 427.283 6.117 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OC(=O)c1ccc(C(C)(C)C)cc1 1874702975 SYDDVYVAGBVQAL-LZYBPNLTSA-N 428.528 6.416 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OC(=O)c1ccc(C)c(C)c1 1874707942 FEZUWONOOUCWKS-VGOFMYFVSA-N 428.528 6.551 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3c(OC)cccc3OC)c2)cc1C 1874717590 DCJGXXVJZOMFGJ-OUKQBFOZSA-N 446.499 5.445 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)ccc1OC(=O)Cc1ccc(C)c(C)c1 1875100726 JZZPDSQKFRGZPO-ACCUITESSA-N 444.527 5.755 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(OC)c1OC(=O)CCCCCC 1875101775 QFMDDXPEINUFDV-OBGWFSINSA-N 434.576 6.758 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)ccc1OC(=O)COCc1ccccc1 1875101828 ZWZIMPFKVBWIGV-WYMLVPIESA-N 446.499 5.112 30 10 IKEE CC(C)(C)CC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1Cl 1875104561 CZVKPCPODWEWBA-XBXARRHUSA-N 425.739 6.885 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-])c1ccco1 1875105280 MHNIKSISKXMHTO-XVNBXDOJSA-N 432.215 5.610 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OC(=O)CCCC 1875105905 RSVGNUWXOGWFMN-FMIVXFBMSA-N 447.358 6.722 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1 1875108983 QIAMIBROCOYXNQ-LZYBPNLTSA-N 435.317 5.883 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(OC)c1OC(=O)c1cccc(C)c1 1875111597 MAVGAJFWLMNIGK-VAWYXSNFSA-N 436.891 5.781 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(N(C)C)cc3)c(Cl)c2)cc1 1875113984 ILVKMCIIUMAUCR-LNKIKWGQSA-N 435.907 5.530 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)cc2)cc1OCC 1875115080 LNWYVYCZHXRDHJ-LDADJPATSA-N 438.564 6.646 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)CC1CCCCC1 1875116124 MPNWRNBQCORFGQ-RIYZIHGNSA-N 437.492 5.765 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(Cl)c(C)c3)cc2)c(C)c1 1875131397 WOMBMYMLZFIBGS-NTUHNPAUSA-N 434.919 6.146 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3C)cc2)cc1 1875137410 KVKHPJSAZQLZKV-VCHYOVAHSA-N 428.528 6.218 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)c1ccc(C)cc1 1875140157 SOOWFXFHEFUESF-NTCAYCPXSA-N 440.539 6.464 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(C)c(C)c2)c([N+](=O)[O-])c1 1875143391 XCMCECWXCMOPGS-JXMROGBWSA-N 445.471 5.644 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1cc(C)cc(C)c1 1875151288 DTFLRAUMAUTZNT-VMPITWQZSA-N 444.483 5.546 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2Cl)cc1 1875155580 JFRGRDJBLHLNBS-LNKIKWGQSA-N 434.919 6.587 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3F)cc2)cc1C(C)C 1875163542 PQRPTFHOPGXTSR-SDNWHVSQSA-N 432.491 6.381 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)c(C)c1C 1875167991 RMJHYXBQCSCSPQ-UKTHLTGXSA-N 431.444 5.336 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Br)c1OC(=O)C(C)C 1875176552 JSJYKDIBYRMYHZ-VQHVLOKHSA-N 431.326 5.532 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)cc1OCC 1875189000 SVTALNBCAXXGRG-VQHVLOKHSA-N 437.319 6.002 30 10 IKEE C=CCC1(NCc2ccc(C)c(Br)c2C)CCN(C(=O)OC(C)(C)C)CC1 1924523789 KDVROIZGQOBXNY-UHFFFAOYSA-N 437.422 5.501 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCC[C@@H]2NC(=O)OC(C)(C)C)c1 1943892883 IWXYDBRZMDAEAV-YADARESESA-N 429.561 5.466 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@](CC)(NC(=O)OC(C)(C)C)C(F)(F)F 1950500449 CNXISVQJFASSBE-SIKLNZKXSA-N 444.538 5.363 30 10 IKEE CC(C)(C(=O)O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(C#N)c1 1951850726 VQOTVIMEMIQZEH-DEOSSOPVSA-N 440.499 5.249 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@](C)(CC(F)(F)F)NC(=O)OC(C)(C)C 2006524885 XRKZIAKNLFUSCU-DENIHFKCSA-N 444.538 5.363 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C12CCC2 2015373920 UEFWHPNOLNLFPY-QHCPKHFHSA-N 447.963 5.517 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C)([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 2022138083 NAOUANZTCIOOKV-CYFREDJKSA-N 435.609 5.486 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Cl)c(Br)c1F 2102881519 AZCFNZWHLNQQNL-YOEHRIQHSA-N 447.776 5.199 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C#N)(Cc1cc(Cl)cc(Br)c1)C2 2110476811 CVCUBOSXFUGPKG-IRXDYDNUSA-N 439.781 5.717 30 10 IKEE C=CCN(CC[C@H](Cc1cccc(F)c1Br)NCCC)C(=O)OC(C)(C)C 2155517801 YQSNIFXKGNNIHL-QGZVFWFLSA-N 443.401 5.312 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@]2(CNc3ccc(C#N)c(Br)c3)CCC[C@H]12 2165308431 UOUZUUDAFVVHGD-RXVVDRJESA-N 434.378 5.302 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)C1(C(F)(F)F)CCCC1 2177878279 AASTVPBKJVWNBR-OAHLLOKOSA-N 447.295 6.205 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCN[C@H](C2CCC2)C1 2194158675 NHAALHUIGPSALY-GHTZIAJQSA-N 434.378 5.005 30 10 IKEE C=C(C)CC[C@H](NCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229125995 KRFAXWPHUGYUFS-OALUTQOASA-N 425.411 5.219 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Cl)cc(Cl)c1Cl 2235574440 FWWZVNGRRIPYHW-WMZOPIPTSA-N 433.807 5.994 30 10 IKEE CC(C)(C)OC(=O)NC[C@@]1(C)CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2249882847 JLEXDUAKUNELOQ-DNQXCXABSA-N 429.561 5.405 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2257337336 FDVJHXYMFULBNR-VSTWWDQDSA-N 441.572 5.404 30 10 IKEE C=C(C)CCCC[C@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2259232613 DAYHVCHTLOKWBV-RPLLCQBOSA-N 443.676 5.661 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N(Cc2ccccc2)C2CCCCC2)c1 2267596110 HXENRTWHLCCGKJ-UHFFFAOYSA-N 433.401 5.269 30 10 IKEE Cc1cccc(NC(=O)OC(C)(C)C)c1C(=O)Nc1ccc(Br)c(C#N)c1 2283405373 MQCFWQILQXIYHR-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)[C@H]2Nc1ccc(Br)cc1C#N 2285778106 ULTDPKPVNPVEAJ-RTGNKSGBSA-N 434.378 5.205 30 10 IKEE O=C1C(=Cc2ccc(N3CCCCC3)cc2)SC(=Nc2ccccc2)N1Cc1ccco1 2294010716 GVSWZUGWKHMTRH-UHFFFAOYSA-N 443.572 6.074 30 10 IKEE Cc1ccc(N=C2SC(=Cc3ccc(N(C)C)cc3)C(=O)N2c2ccc(C)cc2)cc1 2295948555 JREWQHTZTNRSCL-UHFFFAOYSA-N 427.573 6.178 30 10 IKEE CN[C@@H](C#Cc1cccc(Br)c1)c1cccc(C)c1NC(=O)OC(C)(C)C 2296274612 VNNRZPINEXOPPM-IBGZPJMESA-N 429.358 5.417 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H]3C[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)c1 2308985880 QCDKBHLHDFTRFC-JMQJIOGXSA-N 441.572 5.322 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)cc1 2314437637 RPULINIQRAKVEA-UHFFFAOYSA-N 428.484 5.828 30 10 IKEE CN1C(=O)C(=Cc2ccc(-c3c(Cl)cccc3Cl)o2)SC1=Nc1nccs1 2314542813 PEFPPLIRZQMKOQ-UHFFFAOYSA-N 436.345 5.944 30 10 IKEE CC(C)(C)[C@@H]1CCc2nc(SCC=Cc3ccccc3)c(C#N)c(C(F)(F)F)c2C1 2314836091 MREORCRZXXGOLC-QGZVFWFLSA-N 430.539 6.929 30 10 IKEE CC1(C)OB(C=Cc2ccc(N(CCC(F)(F)F)Cc3ccccc3)nc2)OC1(C)C 2317335773 LMWJGQXLDAZCDZ-UHFFFAOYSA-N 432.295 5.685 30 10 IKEE CC(C)c1ccc(C=CC(=O)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 2318788977 WJMZPTTUDITLJW-UHFFFAOYSA-N 429.360 6.069 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)c1 2319205755 YPUWOMMCVIEVQZ-PWRODBHTSA-N 443.588 5.712 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1N=Cc1ccccn1 2321370978 DMVRMHUHBUTYII-UHFFFAOYSA-N 448.379 5.152 30 10 IKEE COc1ccccc1C=Nn1c(CCCOc2cc(C)c(Cl)c(C)c2)nnc1SC 2321386400 QYSPBUWAQKSRON-UHFFFAOYSA-N 444.988 5.173 30 10 IKEE CC(C)(C)c1nnc(S)n1N=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1 2321908550 HJOVFPLHDSDAET-UHFFFAOYSA-N 435.380 5.632 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc4c3CN(C(c3ccccc3)c3ccccc3)CO4)C2=O)o1 2322166721 NZHIBHSMBXIFOK-UHFFFAOYSA-N 449.506 6.146 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc4c3CN(CCCc3ccccc3)CO4)C2=O)cc1 2322214465 SMOKWDZVERZCGG-UHFFFAOYSA-N 425.528 5.650 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2c(OCC(=O)OCCC)ccc3ccccc23)cc1 2322391541 IKSAKKVTALZCNF-UHFFFAOYSA-N 430.544 6.411 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)c1C 2322842770 HHWKEXNGQPHZHH-UHFFFAOYSA-N 449.934 6.957 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OCC(=O)Nc1ccc(C)cc1 2323280087 MVKINZHHWTVNRB-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OCC(=O)Nc3cc(C)cc(C)c3)c2)cc1C 2323323452 AWXOSWCDIOCWMU-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE COc1ccc(CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(C)cc2)C3=O)cc1OC 2323379119 KWLYRZZXTMVCOC-UHFFFAOYSA-N 444.483 5.085 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)cc3)c([N+](=O)[O-])c2)cc1 2323471534 SIVGPTXSPIYUIM-UHFFFAOYSA-N 444.487 5.379 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3cc(OC(=O)c4cccc5ccccc45)ccc3C2=O)cc1 2323472450 AWMUNDKVHSNQIV-UHFFFAOYSA-N 448.518 6.973 30 10 IKEE COc1ccc(OC)c(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2)C3=O)c1 2323489815 QMEOAVYZAXAERO-UHFFFAOYSA-N 442.467 5.247 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)cc1 2323823706 GZPIFJQJPAJXQY-UHFFFAOYSA-N 443.499 5.377 30 10 IKEE CCCCCCOc1ccc2c(c1C)OC(=Cc1cc(OC)c(OC)c(OC)c1)C2=O 2324261449 MNLRWDIZBIKOIJ-UHFFFAOYSA-N 426.509 5.596 30 10 IKEE Cc1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)c1C 2324498478 CONYEGGDZJBXSB-QGZVFWFLSA-N 447.918 5.979 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCCOc3ccc(C)cc3)cc(C)c2C1=O 2324538767 XDRNFWDZJJIPBT-UHFFFAOYSA-N 430.500 5.776 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)NC3CCCCC3)cc2)c2ccccc12 2324673129 AXWIEMOSQHTVOM-UHFFFAOYSA-N 443.543 5.572 30 10 IKEE COc1ccc(OCCOc2cc(C)c3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2324677088 MORSRXQHLZEEFU-UHFFFAOYSA-N 436.891 5.731 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OCc2ccc(C)cc2)c([N+](=O)[O-])c1 2324705815 UAHJADKZMBOEIB-UHFFFAOYSA-N 437.879 6.040 30 10 IKEE COC(=O)c1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1 2324722224 ILWXJZJLFCIAKR-NRFANRHFSA-N 444.556 5.720 30 10 IKEE N#C[C@H](C(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2cc(Cl)ccc2Cl)cs1 2324837719 BPTFFDRDDBCQJF-MRXNPFEDSA-N 444.299 5.915 30 10 IKEE COC(=O)c1ccc(C=C2Oc3c(ccc(OCCc4ccc(C)cc4)c3C)C2=O)cc1 2325370617 GIJYSROWVCJVMU-UHFFFAOYSA-N 428.484 5.328 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3)n2N=Cc2ccccc2Cl)c1 2325489629 ZYXFDCMOYJQYDY-UHFFFAOYSA-N 447.007 6.314 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccccc1Cl 2325571738 YFYVHZJJOGMBMA-UHFFFAOYSA-N 439.799 6.365 30 10 IKEE CCCOc1ccc(C=CC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OCC 2325648583 IDLQNTMOAYOOBA-UHFFFAOYSA-N 445.515 5.887 30 10 IKEE CCCCCOc1ccc(C=Nn2cnnc2SCc2c(Cl)cccc2Cl)cc1 2325666102 IDTRTNLVHPXWLK-UHFFFAOYSA-N 449.407 6.328 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc4ccccc4c3)c2)cc1 2325700369 NKNLHISJDMPDQL-UHFFFAOYSA-N 436.463 5.880 30 10 IKEE CCOc1ccc(C=Nn2c(C)nnc2SCc2ccccc2Cl)c(OCC)c1 2326545811 OAIPTBUOSMTQLC-UHFFFAOYSA-N 430.961 5.212 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1N=Cc1cccc(OCC)c1OC 2326736223 RGEUKZGGEHNCFH-UHFFFAOYSA-N 442.560 5.342 30 10 IKEE Clc1ccc(CCc2nnc(SCCc3ccccc3)n2N=Cc2ccccn2)cc1 2328065644 MYFYQQOGQWZFIF-UHFFFAOYSA-N 447.995 5.329 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCC)nnc1C1CCC(CCCC)CC1 2328148291 BBOLMZNBUANAMP-UHFFFAOYSA-N 426.630 6.301 30 10 IKEE COc1ccccc1CCc1nnc(SCc2ccccc2F)n1N=Cc1ccccc1 2328692564 MRNJQPYWBQDKDA-UHFFFAOYSA-N 446.551 5.386 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2sccc2C)cc1 2329277283 YCAPSUVSUBTERG-UHFFFAOYSA-N 434.590 5.422 30 10 IKEE COc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2cccs2)cc1 2329280917 PZWFSMLUFAOOMA-UHFFFAOYSA-N 434.590 5.156 30 10 IKEE CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2329520346 BGKQMBSLWGJLSB-UHFFFAOYSA-N 448.935 5.422 30 10 IKEE COc1ccc(C=Nn2c(CCc3cccs3)nnc2SCCc2ccccc2)cc1 2329667735 XOOGNHSBTLLNQE-UHFFFAOYSA-N 448.617 5.350 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCc3ccccc3)nnc2-c2cccs2)cc1 2330580279 UNTBYWGUPYIGDK-UHFFFAOYSA-N 448.617 6.360 30 10 IKEE CCSc1nnc(-c2ccccc2)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2330662093 QECODFRDOXYACR-UHFFFAOYSA-N 448.979 6.172 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(Cl)c1OC(=O)CC(C)C 2330667169 YSCCHOKJWKXEHN-UHFFFAOYSA-N 436.935 6.740 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc(Cl)ccc3Cl)cc2)cc1 2330741149 GPOQTVHYHUAAQQ-UHFFFAOYSA-N 425.311 6.671 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3ccc(CC)cc3)c(OC)c2)cc1 2330742805 ZYMHQIAEKKYGBK-UHFFFAOYSA-N 444.527 5.944 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(CC)cc2)cc(OC)c1OC(=O)c1ccccc1F 2330767866 UUBQJUHHTZTVFY-UHFFFAOYSA-N 444.502 6.241 30 10 IKEE Cc1cncc(C(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3Cl)cc2Cl)c1 2330808070 MEXMQEGQBUPLOW-UHFFFAOYSA-N 446.717 6.466 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3ccc(C)cc3)c(OC)c2)cc1 2330951180 RWISBUSTHWTSOM-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3ccccc3)c(OC)c2)cc1 2331193301 WZFHXTCAFDXRCK-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1F 2331451282 LZPDIVOFFLOPHC-UHFFFAOYSA-N 434.507 5.852 30 10 IKEE O=C(Cc1ccccc1)Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1[N+](=O)[O-] 2331473919 OQPKUGOIJFTWFL-UHFFFAOYSA-N 437.451 5.792 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1 2331491694 DKORFQLMTNFSPG-UHFFFAOYSA-N 428.528 6.253 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(C(C)C)n2N=Cc2ccc(Cl)cc2)c1 2331673408 OIAYUBLHFGIZFA-UHFFFAOYSA-N 441.988 5.285 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C(C)C)c1 2331708325 CLYOTQWAMULHPJ-UHFFFAOYSA-N 435.380 5.891 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(C(=O)O)cc1 2331708545 VZFVEJLGUZAIFD-UHFFFAOYSA-N 449.363 5.581 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)C2CC2)c(Br)c1 2331794710 QGQKPRPJQCDEHG-UHFFFAOYSA-N 441.365 6.267 30 10 IKEE C=CCSC1=N/C(=C/c2cc(Br)ccc2OCc2ccccc2)C(=O)S1 3003186 XEBUKTNTMJPBNP-SFQUDFHCSA-N 446.391 5.918 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)c2cccc(OCC(C)C)c2)nc2c(C)cccc12 12240263 XTSNMLAXJYVPCS-UHFFFAOYSA-N 439.519 5.196 30 10 IKEE CCc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(Oc3ccccc3)c2)cc1 21223767 RQQGGBYSRLYULO-WIOPSUGQSA-N 437.539 6.046 30 10 IKEE COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cccc(OC)c1O 21231212 SAEDLFAMOZUGGP-QMTYFTJSSA-N 442.515 5.389 30 10 IKEE CCOc1ccccc1[C@H]1C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)Nc2onc(C)c21 28052178 PQEBVYHGFABDDH-QMHKHESXSA-N 434.923 5.993 30 10 IKEE COc1cccc(C(=O)/N=C(/NCCc2c[nH]c3ccccc23)Nc2ccc(C)cc2C)c1 32943032 UZWJXJKATJZCER-UHFFFAOYSA-N 440.547 5.234 30 10 IKEE biogenic O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O)c1ccc(Cl)cc1 33812121 OUXBXQZOAOENDD-UKWGHVSLSA-N 445.685 6.482 30 10 IKEE Cc1ccc(COc2ccccc2/C=C2\S/C(=N/c3nc(C)cs3)N(C)C2=O)cc1 39865160 NYSMHACZFYHWAB-ROIOHNFESA-N 435.574 5.573 30 10 IKEE C=CCOc1ccc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCCC)cc1OC 39910636 KVHJOZWJXXXAED-HSZRJFAPSA-N 447.531 5.329 30 10 IKEE CC[C@H]1CN/C(=N\c2ccc(C(=O)/C=C\c3cc(Br)ccc3F)cc2)S1 96891542 FBAMVIKJFDGUEB-VTGFLYEISA-N 433.346 5.587 30 10 IKEE CCOc1cccc(NC(=O)[C@H]2CC(=O)N(CC)/C(=N/c3ccc(C)c(Cl)c3)S2)c1 100248678 TVSZUVDMWGNMQN-IPQBESIJSA-N 445.972 5.027 30 10 IKEE CN1C(=O)C[C@@H](C(=O)Nc2cccc(Cl)c2)S/C1=N\c1ccc(Cl)c(Cl)c1 100262781 NSCZDITUVZHZPQ-ACNSNUFOSA-N 442.755 5.237 30 10 IKEE CCCCCCCCCCCCCCC[C@H](C=O)CCCCCCCCCCCCC 100306163 RUSZAJWTXZAFHC-SSEXGKCCSA-N 436.809 10.984 30 10 IKEE CCCCCCCCCCC[C@@H](N)c1cc(Br)sc1Br 115856091 UFAUVNNWRXULTO-CQSZACIVSA-N 425.274 7.194 30 10 IKEE CCN(Cc1ccccc1)c1ccc(/C=N\n2c(S)nnc2CCc2ccccc2)cc1 169911176 QPQJTRXXHOADGZ-DIBXZPPDSA-N 441.604 5.261 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2Cc2cccs2)cc1 169921241 JOOJPWGMNSLTAY-QFIPXVFZSA-N 433.529 5.152 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@@H](c2ccccc2OCc2ccccc2)NC(=S)N1C 169934689 JKLGNOCTPLPNBZ-XMMPIXPASA-N 428.557 5.284 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1 169953753 XZKSAUMPCKUDAU-DEOSSOPVSA-N 426.516 5.152 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C(C)C)cc2)c1 169967628 JJIQZIZPTATUQN-DEOSSOPVSA-N 429.491 6.040 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(Cl)ccc2O)[C@@H]1c1cccs1)c1ccc(Cl)cc1 169987409 ZUROHFUBHMLQAJ-GOSISDBHSA-N 446.311 5.543 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1cccs1)c1ccc2ccccc2c1 169987952 XTPDMMUTPRJRGT-QFIPXVFZSA-N 447.462 5.962 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccn2)cc1Cl 169996472 NMPAXLBZUTXAJQ-FQEVSTJZSA-N 439.298 5.480 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 170049339 OOIQVFOMCVREGQ-QHCPKHFHSA-N 445.946 6.420 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccccc1F)c1ccc(Cl)cc1 170072458 DPLDRCMMKLGLKQ-NRFANRHFSA-N 439.845 5.397 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1c[nH]c2ccccc12)c1ccc(F)cc1 170074059 CCDFYTQRVNOGNO-JOCHJYFZSA-N 430.410 5.229 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@@H]1c1ccccc1OC 170125141 BWLYXQMNTMOEIF-QHCPKHFHSA-N 437.536 5.206 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccccn2)cc1 170170221 OHZFSZMNBUTCKO-DEOSSOPVSA-N 442.515 5.270 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccccn2)cc1C 170174046 TXBBOZLWYKRUTE-JOCHJYFZSA-N 448.906 5.225 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2C)c1 170271070 AQEWASFBEWRXTQ-DEOSSOPVSA-N 445.490 5.706 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccco2)cc1 170284729 YXGAKLBJBXOMQT-QHCPKHFHSA-N 425.440 5.224 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccc(C)o2)c1 170302136 OGPDKRPFPUNKGL-DEOSSOPVSA-N 445.515 5.775 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(C)o1 170303662 DIJLYZZZEOOYHW-NRFANRHFSA-N 437.879 5.341 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Br)c2)o1 170401987 MLERDSIWTHWOSS-IBGZPJMESA-N 438.277 5.133 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2c(C)[nH]c3ccccc23)c1 170402915 QCYJRTOSBICNFT-XMMPIXPASA-N 438.483 5.268 30 10 IKEE COc1ccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1 170427566 AWDAZKGUEKOQEB-GOSISDBHSA-N 433.426 5.229 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(Cc2ccccc2OC(C)(C)C)[C@H]1c1ccc(O)cc1 170447809 FSXDOMJXRJPPCB-QHCPKHFHSA-N 437.536 5.080 30 10 IKEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)/C=C\c2ccccc2)[C@@H]1c1ccc(C(C)C)cc1 209980422 UDAYPOJMEPTXJK-FLSVEMGKSA-N 446.591 5.130 30 10 IKEE CCc1ccc(N=C2S/C(=C\c3ccc(OCc4cccc(C)c4)cc3)C(=O)N2C)cc1 252590151 APVAUAKEHDSZPH-NARSBJQYSA-N 442.584 6.370 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(OC)c3ccccc23)SC1=Nc1ccc(C(=O)OC)cc1 254397287 CAQOZZZQCNHEAC-JXJWTFEASA-N 446.528 5.259 30 10 IKEE CCCCCCCCC(=NO)C(=NNS(=O)(=O)c1ccc(C)cc1)c1ccccc1 254744463 BPPZUCFHZWACGP-UHFFFAOYSA-N 429.586 5.258 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)cc2F)c1 526744000 IDINTBXKUZLXLD-QHCPKHFHSA-N 449.453 5.537 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccc(OC)cc1OC 526818041 NPBUHJQROWYNOV-MSXFZWOLSA-N 448.951 5.215 30 10 IKEE COc1ccc(/C=N\n2c(C)nnc2SCc2cccc3ccccc23)cc1OC(C)C 526821580 ZPZIFVGPAPXQDI-YSMPRRRNSA-N 446.576 5.710 30 10 IKEE N#Cc1ccc(CN(c2cccc3ccccc23)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 586232019 KHJZKXCKQSYZKS-UHFFFAOYSA-N 443.484 5.015 30 10 IKEE COc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)cc1C 698461178 XSZJOJQDBUYXGZ-GOSISDBHSA-N 431.330 5.773 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(/C=C\C(=O)Cc2ccc(Br)c(F)c2)cc1 721947986 WFEBMCHBIQQOHE-POHAHGRESA-N 434.305 5.760 30 10 IKEE CC(C)(C)C(=O)OCCCCSc1n[nH]c(NN=Cc2cccc(Cl)c2Cl)n1 1083944093 AYBYJERUQLKXAA-UHFFFAOYSA-N 444.388 5.019 30 10 IKEE Cc1ccc(C(CSc2nc3ccccc3o2)=NNc2ccc([N+](=O)[O-])cc2)c(C)c1 1084349081 MBLCQXWPGVDNLQ-UHFFFAOYSA-N 432.505 5.961 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2)SC(=Nc2cccnc2Cl)N1C1CCCCC1 1772733322 MLMHTSSOEXJORT-LCQIMXFNSA-N 432.376 6.325 30 10 IKEE CCOc1ccc(/C=C2/SC(=Nc3nnc(C)s3)N(C3CCCCC3)C2=O)cc1 1772738676 QHYDOJCAMOPBHD-CTNAHEIOSA-N 428.583 5.182 30 10 IKEE CCCCOc1ccccc1C=NN=C1NC(=O)[C@H](Cc2cccc(C(F)(F)F)c2)S1 1772742522 VWTJQZMIYAUZJX-IBGZPJMESA-N 449.498 5.049 30 10 IKEE C=CCN(CC=C)c1nc(-c2ccnc(NCc3ccccc3OC)c2)cc2cnccc12 1857844125 NVERAKITFKFQCV-UHFFFAOYSA-N 437.547 5.491 30 10 IKEE N#Cc1cccc(-c2nc(C(=O)NCCc3ccc(Cl)cc3Cl)c3ccccn23)c1 1858330970 BUJJZPPXEWUJOC-UHFFFAOYSA-N 435.314 5.152 30 10 IKEE CC(C)CCC(=O)Nc1cccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1 1860135158 ZELZUELCDULSIS-INIZCTEOSA-N 439.581 5.137 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)CCc1ccc(C)c(C)c1 1861090999 CMGNZRRKJCRYJO-VWLOTQADSA-N 430.677 6.168 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccccc1 1862380333 ZVUCKPFODZSLLH-YFZFPPMRSA-N 444.358 6.150 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C2CCCC2)cc1 1862384881 CHOGKZGLQNZMAJ-OAQYLSRUSA-N 444.358 6.077 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@H]2c2ccccc2Br)cc1 1862399332 DMEPQYYYBFTTBI-FQEVSTJZSA-N 442.353 5.390 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862429286 JSQCIPKDARTLPP-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(F)cc1F)c1ccccc1Cl 1862432739 LVFWZKCVXZFVJK-HXUWFJFHSA-N 431.866 5.529 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(N(CC)CC)cc1 1862438395 BBBNHIJBYQYEOE-NRFANRHFSA-N 426.944 5.175 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccccc2F)ccc1F 1862501722 IXHJITUEKDMMGU-JEWAVWJGSA-N 425.475 5.430 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccccc1C 1862533999 PMQXWBZPTXBMIA-RCZVLFRGSA-N 433.592 6.495 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2CC)cc1OC 1862541885 VMCHVVYXLPUXIS-QHCPKHFHSA-N 437.536 5.035 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2cccc3ccccc23)c1 1862560978 LHRGHIVCWUGISL-AREMUKBSSA-N 448.522 5.243 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccccc2F)c1 1862702476 DAMIRQSPESATQN-HJPURHCSSA-N 431.463 5.174 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(F)cc1F)c1ccc2ccccc2c1 1862712630 WBXKJACEEWJKRH-HSZRJFAPSA-N 433.454 5.639 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862758952 IIEXHZURIOYGAD-ZMZPIMSZSA-N 449.290 5.278 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)c(F)c2)=C(c2ccc(C)cc2)C1=O 1863271639 VMAQEQVTNQDYFY-UHFFFAOYSA-N 426.507 5.826 30 10 IKEE C=CCN1C(=O)C(Nc2cc(Cl)cc(Cl)c2)=C(c2ccc(OCCC)cc2)C1=O 1863338189 MSUKILRNSDPDCQ-UHFFFAOYSA-N 431.319 5.160 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3cccc(C#N)c3)C(=O)N(C3CCCCCCC3)C2=O)c1 1863403160 UAZONHBFNWTGBU-UHFFFAOYSA-N 427.548 5.480 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(F)cc2)C(=O)N(Cc2cccs2)C1=O 1863504909 JBRKZNXFVAJQJA-UHFFFAOYSA-N 442.600 5.898 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2Cl)C(=O)N(CCc2ccccc2)C1=O 1863771418 KAWZKYQGOXEVGG-UHFFFAOYSA-N 438.999 5.613 30 10 IKEE COc1cccc(C(=O)/C=C/C(=O)NCC[C@@H](C)c2cccc(-c3ccc(O)cc3)c2)c1 1866233968 RERDCZHHLNNIPH-JKIKYLSZSA-N 429.516 5.117 30 10 IKEE CC(C)c1cc(C(=O)Nc2c(C#N)cnn2-c2ccccc2F)c2cc(Cl)ccc2n1 1866281563 URIBAJZWAVZYTL-UHFFFAOYSA-N 433.874 5.460 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC[C@H](Oc3ccccc3)C2)nc(-c2ccc(C)cc2)n1 1869176943 DVXCOLKIVFEVCK-VWLOTQADSA-N 440.591 5.678 30 10 IKEE C=CCOc1cn(Cc2cccnc2)c(CNc2ccc(OCCCCCC)cc2)cc1=O 1870810860 VPGJFXUGSQBNEP-UHFFFAOYSA-N 447.579 5.428 30 10 IKEE COc1cccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCC2=CCCCC2)C4)c1 1871349145 GJTSPKYPKZICQV-IWIPYMOSSA-N 431.532 5.662 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OC(=O)C(Cl)(Cl)Cl)c3C)C2=O)cc1 1871366052 PLSGCMAPJCJLDJ-YBEGLDIGSA-N 425.695 5.449 30 10 IKEE CCCOc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(OC)c2)C3=O)cc1 1871387633 HHDNWBJIVREJTG-IWIPYMOSSA-N 444.483 5.628 30 10 IKEE CC(C)=C1Oc2cc(OCC(=O)N3c4ccccc4Sc4ccccc43)cc(C)c2C1=O 1871442188 DIOGBFMCQXNUMA-UHFFFAOYSA-N 443.524 6.072 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(F)cc2)ccc2c1O/C(=C\c1ccccc1Cl)C2=O 1871456460 GNNBWOZGOUXXOS-MTJSOVHGSA-N 437.854 5.421 30 10 IKEE C=CCN([C@H](C(=O)Nc1cccc(C(C)(C)C)c1)[C@H](C)CC)S(=O)(=O)c1ccccc1 1872233366 BWZOFTIKRUUITG-XXBNENTESA-N 442.625 5.214 30 10 IKEE N#C[C@@H](C(=O)/C=C/c1cccc(Cl)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872762233 GTICFWJADVRLLM-RRGWEWPQSA-N 433.747 6.660 30 10 IKEE COc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)c(OC)c1 1872776884 ZXWPUONQFKPCIR-XMZCSZCVSA-N 432.545 5.840 30 10 IKEE Cc1cccc(C)c1OCCCC(=O)[C@H](C#N)c1nc(-c2c[nH]c3ccccc23)cs1 1872777941 ZTANRKHDIPDGBY-IBGZPJMESA-N 429.545 5.944 30 10 IKEE COc1ccc(Cl)cc1C(=O)[C@@H](C#N)c1nc(-c2cc(C(C)(C)C)ccc2C)cs1 1872785477 NXDLJORDFCTAEJ-LJQANCHMSA-N 438.980 6.568 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(F)cc2F)=C(c2cccnc2)C1=O 1873265498 MPYQBAXTCFSPKG-UHFFFAOYSA-N 441.522 5.693 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(N(CC)CC)cc2)=C(c2ccccc2)C1=O 1873415046 GUFQADWUXFRFFM-UHFFFAOYSA-N 447.623 6.085 30 10 IKEE N#Cc1nc([C@@H]2C[C@@H]2c2ccccc2)oc1N/N=C/c1cccc(OCc2ccccc2)c1 1873471014 URGMFKKQCBMGLP-AMFXKJIPSA-N 434.499 5.842 30 10 IKEE COc1ccc(Br)cc1/C=N/Nc1oc([C@@H]2C[C@@H]2c2ccccc2)nc1C#N 1873471030 UZKBZQMEHSNFKV-GXOQDCAFSA-N 437.297 5.034 30 10 IKEE CCCOc1cccc(/C=N/n2c(CCc3ccc(Cl)cc3)nnc2SCCC)c1 1874284439 HJMGSWKGAIXLJP-KOEQRZSOSA-N 443.016 5.890 30 10 IKEE CCCOc1ccc(/C=N/n2c(COc3ccc(C)c(C)c3)nnc2SCCC)cc1 1874321247 HRYZGPSUKDNVNV-PCLIKHOPSA-N 438.597 5.647 30 10 IKEE Clc1ccc(CSc2nnc(COCc3ccccc3)n2/N=C/c2ccc[nH]2)cc1 1874354566 QEVPZUDZTVCHOV-DHRITJCHSA-N 437.956 5.151 30 10 IKEE CCc1ccc(/C=N/n2c(Cc3ccc(C)c(C)c3)nnc2SCc2ccccc2)cc1 1874358439 HZRISFQAGLVPOZ-MTDXEUNCSA-N 440.616 6.223 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3C)n2/N=C/c2cccnc2)c1 1874361715 RMDPZBSJLUGLAP-WPWMEQJKSA-N 427.577 5.250 30 10 IKEE CCCSc1nnc(COc2ccccc2)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874385898 NXFUPXGWFSBZHM-BUVRLJJBSA-N 440.569 5.037 30 10 IKEE Cc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2cc(C)ccc2C)cc1 1874402676 IPKQFSVEARIFMD-MTDXEUNCSA-N 440.616 6.163 30 10 IKEE Clc1ccccc1CSc1nnc(CC2CCCCC2)n1/N=C/c1ccncc1 1874408174 KCVLABJJYNRCTH-MFKUBSTISA-N 425.989 5.624 30 10 IKEE Fc1ccc(CSc2nnc(-c3ccco3)n2/N=C/c2c(Cl)cccc2Cl)cc1 1874465512 MYBCMUDAICXUCL-BHGWPJFGSA-N 447.322 6.159 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874475328 UOSVDIRSUMDYDB-VULFUBBASA-N 432.515 6.122 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccccc2CC)n1/N=C/c1ccc(CC)cc1 1874476705 SWUSEWGWDQLGJL-YZSQISJMSA-N 449.624 5.359 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccccc1[N+](=O)[O-] 1874479218 OUCZNWNAKRKBOX-PCLIKHOPSA-N 445.548 5.857 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C(C)(C)C)c1 1874485952 VBADMJQSSOOHRZ-WYMPLXKRSA-N 449.407 6.066 30 10 IKEE Cc1ccccc1NC(=O)CSc1nnc(C2CCC2)n1/N=C/c1cccc(Cl)c1 1874494408 KEKWSUKUTCEJEX-ZMOGYAJESA-N 439.972 5.120 30 10 IKEE COc1cc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CCC2)ccc1O 1874497316 DZPGDTXHJNOEKS-FSJBWODESA-N 428.945 5.088 30 10 IKEE CCSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1/N=C/c1ccco1 1874540948 ZLHTWEPHVYWIKU-CIAFOILYSA-N 425.341 5.184 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCC(=O)OCC(C)C)cc1C 1874573693 AFIPZHSUVGAWGW-SOFGYWHQSA-N 446.927 5.140 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2ccc([N+](=O)[O-])cc2)cc1C 1874574275 DUSNPVSPIVWECA-UKTHLTGXSA-N 433.460 5.396 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)c1OCc1ccccc1 1874581798 GQVKBRIZCLORMY-VQHVLOKHSA-N 436.891 5.595 30 10 IKEE COc1cccc(/C=C/C(=O)c2cccc3ccccc23)c1OCc1ccccc1Cl 1874583336 IZOADJDLZKUZBW-WUKNDPDISA-N 428.915 6.977 30 10 IKEE COC(=O)c1ccc(COc2ccccc2/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)o1 1874589758 BNGLCXZAAJTSCQ-SDNWHVSQSA-N 432.516 6.147 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(OC)c1OCc1cccc(F)c1 1874605206 SMOQDOUQIYECFQ-NTCAYCPXSA-N 430.519 6.600 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c([N+](=O)[O-])c2)c(C)c1 1874617673 ODOILJKBECKHJI-IZZDOVSWSA-N 432.432 5.595 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OCC(=O)Nc3c(C)cccc3C)c(Cl)c2)c1 1874618007 FHRWBMOBQFRLAK-ZRDIBKRKSA-N 447.962 6.487 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OCc1c(F)cccc1Cl 1874627127 DSTHIHRWLSWNNB-WEVVVXLNSA-N 432.825 6.241 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)C2(c3ccc4c(c3)OCO4)CC2)c1)c1cccc(Cl)c1 1874699167 HRCJFIHXZRTOGK-VQHVLOKHSA-N 446.886 5.602 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1OC(=O)CCc1ccccc1 1874707076 MYYSFPARBPWIMQ-SAPNQHFASA-N 436.507 6.283 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2OC)c1 1875118470 XXUSSFNYUOMVGE-NTUHNPAUSA-N 447.443 5.117 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)c1ccccc1C 1875136073 VWNQMFCWDDXUPK-SDNWHVSQSA-N 434.919 6.471 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)[C@H](C)c1ccccc1 1875139794 AFRQWHMECWJIPF-UACNQURRSA-N 428.528 6.307 30 10 IKEE CCCCCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2cc(C)ccc2OC)cc1OC 1875143362 WGNCDFWDLXMMPP-OUKQBFOZSA-N 440.536 5.793 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)[C@@H](C)c1ccccc1 1875157145 PUQOONNYTKVZPC-RKPWUKJMSA-N 442.555 6.814 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1Cl 1875158283 ODRRAJHBLGRYGQ-RIYZIHGNSA-N 444.889 6.677 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccco3)cc2)cc1 1875159303 MMUYHUMSWQAHBE-WOJGMQOQSA-N 432.516 6.744 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)c1ccc(C)c(C)c1 1875175886 LRYUDKZCHURIIM-DHZHZOJOSA-N 448.946 6.698 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(/C=C/C(=O)c3c(C)cc(C)cc3C)cc2[N+](=O)[O-])c1 1875182962 DASASWZEUDYWRV-SOFGYWHQSA-N 443.499 6.252 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)c1cccnc1 1875185579 ZOANJGLQFWYRKV-FMIVXFBMSA-N 429.516 5.811 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1Cl 1875187697 VHTNTGXBICLJKX-YRNVUSSQSA-N 437.835 5.372 30 10 IKEE CC1(C)OB([C@]23C[C@@H]2CCN(Cc2cc(Br)ccc2Cl)C3)OC1(C)C 1879791894 FZDOGLGJUZLOTQ-LIRRHRJNSA-N 426.591 5.161 30 10 IKEE CC(C)(C)OC(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1881179130 NLNWDJYCLUSRTO-HSZRJFAPSA-N 444.531 5.934 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]12CC[C@@H](CN(C(=O)OC(C)(C)C)C1)C2 1910492671 ZNLVVPIUQFSFBX-JQYIIUTOSA-N 428.617 5.165 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)CC12CCCC2 1949594809 WMGLSFNECZLMSM-HXUWFJFHSA-N 447.498 5.002 30 10 IKEE C#CCCN(CC(C)C)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1984726106 WFWSHPHOKHCKCL-SANMLTNESA-N 446.591 5.058 30 10 IKEE CC(C)(C)OC(=O)N1CCC(C[C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)CC1 2000205321 JXRKUVWAJCVBJE-HXUWFJFHSA-N 435.609 5.486 30 10 IKEE C=C(COCc1ccccc1)[C@H](O)c1ccc(NC(=O)OC(C)(C)C)c(C(F)(F)F)c1 2005305840 SHLYWYFQZACVGP-FQEVSTJZSA-N 437.458 5.859 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)[C@@H]1C(C)(C)C 2020139340 LMVBPBPBWYCRSW-SBUREZEXSA-N 449.617 5.413 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@@]1(C)CCN1C(=O)OC(C)(C)C 2045194312 YKCMDYIDJWPUHG-RPWUZVMVSA-N 445.560 5.118 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]12CCC[C@@H](CN(C(=O)OC(C)(C)C)C1)C2 2079028083 AOWIBFWTLOKGMT-FKCDAAJZSA-N 442.644 5.555 30 10 IKEE CC(C)c1ccc([C@@H](C2CC2)n2nc(C(C)(C)C)c(C#N)c2I)cc1 2079971350 GBINXRGZSIOESX-SFHVURJKSA-N 447.364 5.780 30 10 IKEE CCOc1ccc([C@@H](C2CCC2)n2nc(C3CCC3)c(C=NO)c2Br)cc1 2080105953 RCYMYKJWTLDASR-HXUWFJFHSA-N 432.362 5.509 30 10 IKEE CCCCCC#CC[C@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 2083432760 CUBADPUJGSDGGM-RPBOFIJWSA-N 444.660 5.829 30 10 IKEE C=CCC[C@H](C)[C@@H](NCCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2102110314 FHTVOJXLENYNBN-HNAYVOBHSA-N 425.411 6.439 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)ccc1C 2137760677 HYPBPBWJRXYCRY-MOPGFXCFSA-N 425.411 5.658 30 10 IKEE CC1(C)OB(c2ccc(Cl)cc2NC(=O)c2cc(Cl)c(Cl)s2)OC1(C)C 2156101723 SEQFPINXSMCXPW-UHFFFAOYSA-N 432.565 5.260 30 10 IKEE C=CCC[C@H](C)[C@H](NCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2158326621 DLQYKWPWMGXRNU-DBVUQKKJSA-N 439.438 5.465 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@H]2Nc2cc(Br)cc(C#N)c2)C1 2162311478 WRBLMKFWJPXAGH-WIYYLYMNSA-N 434.378 5.302 30 10 IKEE CCCCN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(Br)cc1C#N 2174815440 SYSWPYJKNCRRTC-SFHVURJKSA-N 436.394 5.327 30 10 IKEE C[C@H](c1cc(Br)cs1)N(C)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2186595613 SHTDHHQAGOWZLT-CQSZACIVSA-N 436.224 5.003 30 10 IKEE COc1cc(Br)cc(C(=O)C=Cc2ccc(NC(=O)OC(C)(C)C)cc2)c1 2201016371 ABKRDHWABWSBAR-UHFFFAOYSA-N 432.314 5.701 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H](CSC(C)(C)C)NC(=O)OC(C)(C)C 2212711880 MLBMEJIWKXOKHM-RTWAWAEBSA-N 436.662 5.163 30 10 IKEE CN[C@H](C#CC(C)(C)C)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2225474845 RSPGOXCKEBIGDU-LEAFIULHSA-N 443.587 5.516 30 10 IKEE C=C(C)CC[C@@H](NCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229134962 KRFAXWPHUGYUFS-RTBURBONSA-N 425.411 5.219 30 10 IKEE N#C[C@H](CNc1ccc(Br)cc1I)C1CCCCC1 2231679064 WEWOIPOMHLLHPR-GFCCVEGCSA-N 433.131 5.186 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)cc(F)cc1Br 2233953908 CXGVIXAETULRLN-SJLPKXTDSA-N 447.364 5.628 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)CC[C@H](C)CNC(=O)OC(C)(C)C 2235747876 UHHJPPUEXRKHRZ-PKOBYXMFSA-N 437.422 5.110 30 10 IKEE C#CCN(CC(C)C)C(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2243919315 RULOCLYMOFTNMY-SANMLTNESA-N 446.591 5.058 30 10 IKEE C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2247803159 BQTWOTIVADCFAV-HNNXBMFYSA-N 445.821 5.142 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)c1cc(Br)c(Cl)s1 2261828262 KNFPRQFPUYSUTN-KRWDZBQOSA-N 445.762 5.469 30 10 IKEE C=CCCC1([C@H](NC)c2ccc(Br)cc2Cl)CN(C(=O)OC(C)(C)C)C1 2266299416 NPKLMOCDDJCRAB-QGZVFWFLSA-N 443.813 5.566 30 10 IKEE CCC#CC[C@H](OCCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2276539659 RHUQOIOUIZIQEJ-MHZLTWQESA-N 443.587 6.055 30 10 IKEE C=CCCC1([C@@H](NC)c2cc(F)c(Br)c(F)c2)CN(C(=O)OC(C)(C)C)C1 2281052843 HXWKFHYDBWKJHJ-KRWDZBQOSA-N 445.348 5.191 30 10 IKEE C=CCCC[C@H](NCCC)[C@@](C)(O)c1cc(Br)c(Br)s1 2281280079 LXAQKPXNFWLQIJ-SWLSCSKDSA-N 425.230 5.205 30 10 IKEE Cc1cc(C(=O)N(Cc2ccccc2)[C@H](C)C(C)(C)C)cc(C)c1B1OC(C)(C)C(C)(C)O1 2281938649 QLDYBUQLMSQTTH-OAQYLSRUSA-N 449.444 5.680 30 10 IKEE CCCN(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1c(Br)cccc1C#N 2285189172 BODHMCCCXMQCQW-KRWDZBQOSA-N 436.394 5.327 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCCN)c1cc(Br)ccc1OCCC 2294339448 MNBGZSBODFKMFQ-JOCHJYFZSA-N 434.374 5.027 30 10 IKEE C=CCC(CC=C)[C@H](NCCC)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2301038094 WGRFMUHOJQBYIZ-RPWUZVMVSA-N 429.649 5.148 30 10 IKEE C=CCOC(=O)C=Cc1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1 2314019546 OCOMNJANISKPLB-UHFFFAOYSA-N 442.136 6.077 30 10 IKEE CCCN[C@H](C#CCSC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2314636405 NIYXKSPQSIECGI-QGZVFWFLSA-N 427.408 5.203 30 10 IKEE C=CCN(C[C@@H](NCC)c1cc(Cl)cc(Br)c1F)C(=O)OC(C)(C)C 2315455469 IIFQYRKGCFSJSY-OAHLLOKOSA-N 435.765 5.315 30 10 IKEE FC(F)(F)c1nnc(S)n1N=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1 2321915020 GRLKNYAKYRGRGS-UHFFFAOYSA-N 447.269 5.354 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2)Oc2c1ccc1c2CN(Cc2ccc(Cl)cc2)CO1 2321955286 CFFXJOUNFLNOSI-UHFFFAOYSA-N 438.310 5.962 30 10 IKEE Sc1nnc(Cc2cccc3ccccc23)n1N=Cc1cccc(Oc2ccccc2)c1 2322131468 FKRGJAOISLFWOE-UHFFFAOYSA-N 436.540 5.985 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc4c3CN(CCCCc3ccccc3)CO4)C2=O)c1 2322252100 KBGPYNDUHVMSGE-UHFFFAOYSA-N 425.528 5.786 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccccc1F)C3=O)CN(CCCCc1ccccc1)CO2 2322442887 DQJCYOCBJXHHFC-UHFFFAOYSA-N 443.518 5.925 30 10 IKEE CCc1ccc([C@H](C)N2COc3c(cc4c(c3C)OC(=Cc3cccc(F)c3)C4=O)C2)cc1 2322455498 SZXOETKYTMRLIX-SFHVURJKSA-N 443.518 6.226 30 10 IKEE O=C(COc1ccc2ccccc2c1C=CC(=O)c1ccc(F)c(F)c1)NC1CCCCC1 2322781669 RUCWQIAKSRQOCY-UHFFFAOYSA-N 449.497 5.842 30 10 IKEE COC(=O)c1ccc(COc2c(C=CC(=O)c3c(C)cc(C)cc3C)cccc2OC)o1 2322952749 SUGDLBPWZIXXOQ-UHFFFAOYSA-N 434.488 5.475 30 10 IKEE Cc1cc(OC(=O)C=Cc2cccc([N+](=O)[O-])c2)cc2c1C(=O)C(=Cc1ccccc1)O2 2323435553 LDQURINHLJVTEH-UHFFFAOYSA-N 427.412 5.138 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccc(F)cc4)c3C)C2=O)c1 2324319911 YWPLUKIAPDZRLW-INIZCTEOSA-N 447.462 5.165 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(OCCCOc4ccc(C)cc4)c3C)C2=O)cc1 2324547637 MGKIHSAFRNUCEL-UHFFFAOYSA-N 444.527 6.166 30 10 IKEE COc1ccc(OCCOc2ccc3c(c2C)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2324683576 ZPNPWAZBZPHTSA-UHFFFAOYSA-N 436.891 5.731 30 10 IKEE CCN(CC)C(=O)COc1ccc(C=CC(=O)c2ccc(OC)c3ccccc23)cc1OC 2324693454 QINIXAHWMOKFKC-UHFFFAOYSA-N 447.531 5.000 30 10 IKEE CCc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 2325471210 ICGDOXXNHFUMLP-UHFFFAOYSA-N 430.552 5.745 30 10 IKEE Fc1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccccc2Cl)cc1 2325471398 PGISGXSXLRUDDI-UHFFFAOYSA-N 436.943 5.836 30 10 IKEE CCOc1ccc(C=CC(=O)C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 2325532114 KEYQXDDTBSHRNY-UHFFFAOYSA-N 442.540 5.891 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)cc1 2325704705 RFCRQBHCULCMFM-UHFFFAOYSA-N 445.471 5.590 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccccc3Cl)c2)cc1 2325710123 USEQZUPCPNIXGG-UHFFFAOYSA-N 448.946 6.807 30 10 IKEE CCc1cccc(CC)c1NC(=O)COc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O 2325718513 MSGBXDAYIONHRE-UHFFFAOYSA-N 445.490 5.584 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)CCCOc3c(C)cccc3C)c2)cc1 2325719364 NARPVSVZEBMATR-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE COc1ccc(CC(=O)Oc2cc(C=CC(=O)c3ccc(C)cc3)ccc2OC)c(OC)c1 2325737545 AWOYKERFBORJLW-UHFFFAOYSA-N 446.499 5.065 30 10 IKEE CCCSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1ccc(F)cc1 2325961307 DXHDVUSFQINIHQ-UHFFFAOYSA-N 433.350 5.155 30 10 IKEE CCCOc1ccc(C=Nn2c(C)nnc2SCc2ccc(C#N)cc2)cc1Cl 2326660885 HSPJOOUXAGGLTM-UHFFFAOYSA-N 425.945 5.075 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2OCC)n1N=Cc1ccc(F)cc1F 2326830199 HMVVFEVAAPSXJK-UHFFFAOYSA-N 444.507 5.084 30 10 IKEE CCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccc(Cl)cc1Cl 2327266086 JREKLHLQWFZLMS-UHFFFAOYSA-N 449.407 6.083 30 10 IKEE Oc1ccccc1C=Nn1c(CCc2ccccc2Cl)nnc1SCc1ccccc1 2327956894 VRNHIPMWBBPWSZ-UHFFFAOYSA-N 448.979 5.597 30 10 IKEE CCCCC1CCC(c2nnc(SC)n2N=Cc2ccc(Br)cc2)CC1 2328106587 YRNMGFCALBPJFR-UHFFFAOYSA-N 435.435 6.109 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(OCCC)cc1 2329576887 DJNKZPXOVHGZSU-UHFFFAOYSA-N 426.973 5.938 30 10 IKEE Cc1cccc(CSc2nnc(CCc3cccs3)n2N=Cc2ccccc2F)c1 2329641162 AWCCXDINWQAQMI-UHFFFAOYSA-N 436.581 5.747 30 10 IKEE Cc1ccccc1CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1ccc(O)cc1O 2330057708 GGHOTVQBUQSPID-GOSISDBHSA-N 444.560 5.324 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCc3ccc(F)cc3)nnc2[C@H](C)c2ccccc2)c1 2330066176 UIHJXQROQNFBED-GOSISDBHSA-N 446.551 5.758 30 10 IKEE C=CCSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1ccc(Br)cc1 2330118660 DAOZMHZKPWRIEK-HNNXBMFYSA-N 427.371 5.353 30 10 IKEE C=CCSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1cc(Br)ccc1O 2330119063 NHTGDLXAYDSUOR-AWEZNQCLSA-N 443.370 5.058 30 10 IKEE CCCCOc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCCC)cc1OC 2330499597 ZJJDCTAJRDNPFE-UHFFFAOYSA-N 438.597 5.441 30 10 IKEE CCSc1nnc(-c2cccs2)n1N=Cc1ccc(N(CC)Cc2ccccc2)cc1 2330566973 HJGSGVZHRWEVLH-UHFFFAOYSA-N 447.633 6.027 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC(=O)c1ccco1 2330644587 XSZKOFBNEMFJLL-UHFFFAOYSA-N 433.416 5.040 30 10 IKEE Cc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCC(=O)Nc2ccccc2C)cc1 2330824237 LNTOYHIFNSFYNV-UHFFFAOYSA-N 435.597 5.097 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc4ccccc4n3C)cc2)cc1 2330825775 GEKAHQZJACASHM-UHFFFAOYSA-N 437.539 6.636 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)[C@@H]3CCCO3)c(OC)c2)cc1 2330826105 YNLVLXYPPYYBBS-QFIPXVFZSA-N 438.520 5.027 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2[C@@H]2CCCO2)cc1 2330910337 NTWFNZBDDKTDFD-NRFANRHFSA-N 438.572 5.741 30 10 IKEE CC(C)COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccccc3Cl)cc2)cc1 2330910753 WFHMLBZVZAWRPC-UHFFFAOYSA-N 434.919 6.490 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)cc([N+](=O)[O-])c1OC(=O)CC(C)(C)C 2330938816 AMUWZYDDMZPQEJ-UHFFFAOYSA-N 445.899 5.885 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@H]3CCCO3)n2N=Cc2ccc(C(C)(C)C)cc2)c1 2330961674 TVTQGQHCWRBYBU-HSZRJFAPSA-N 448.636 6.218 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccccc3OC)cc2OC)c1 2331081677 BGJRFSNDAYUXKS-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2)c(C(C)(C)C)c1 2331161998 FXPQHTOAGHOQRH-UHFFFAOYSA-N 428.528 6.173 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)c(F)c3)c(Cl)c2)ccc1F 2331335961 ANIQZJGQYOCYBB-UHFFFAOYSA-N 430.809 6.181 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C(C)(C)C)cc1 2331408962 CHRJQPHVCOQXLI-UHFFFAOYSA-N 449.407 6.066 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)C)n2N=Cc2ccccc2OC(C)C)c1 2331454000 KIUCVTLPBNRHQD-UHFFFAOYSA-N 436.625 6.055 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1 2331469903 JDCBZLQZCXAIKE-UHFFFAOYSA-N 438.479 5.972 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)CCCOc1ccc(C)cc1 2331540075 DFFYZTIHTGZYJL-UHFFFAOYSA-N 448.490 5.803 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2C(C)C)cc1OCC 2331685550 PBBZPLQWFQMSSM-UHFFFAOYSA-N 438.597 5.682 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3F)c([N+](=O)[O-])c2)c(C)c1 2331768971 VTGHWQLIWPURBN-UHFFFAOYSA-N 447.462 5.703 30 10 IKEE N#Cc1nc(-c2cccs2)oc1NN=Cc1ccc(OC(=O)c2ccc(F)cc2)cc1 2331938121 GRKFBVXNJCCCQM-UHFFFAOYSA-N 432.436 5.079 30 10 IKEE N#Cc1ccc(NCc2ccc(I)c(Br)c2)c(Cl)c1 2349857401 PVLGLBNEHPSLJQ-UHFFFAOYSA-N 447.501 5.191 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1c[nH]nc1C(C)(F)F 2360822225 RHELIZDAUWCPSI-CQSZACIVSA-N 441.276 5.290 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1C(C)(C)C(=O)C#Cc1cccc(Br)c1 2363498950 LSELNEIBBSWJMY-SFHVURJKSA-N 434.374 5.186 30 10 IKEE CCOc1ccc(-n2c(=S)sc3c2nc(SCC#N)n2c4ccccc4nc32)cc1 9474066 VUOCNRSSEQQBIG-UHFFFAOYSA-N 449.586 5.632 30 10 IKEE C=CCOc1ccccc1NC(=O)C1CCC(C(=O)Nc2ccccc2OCC=C)CC1 9818356 JHPKGISTLIZSEB-UHFFFAOYSA-N 434.536 5.200 30 10 IKEE C=CCN1C(=O)c2ccccc2N[C@@H]1c1csc(N(C(C)=O)c2cccc(Cl)c2)n1 11034546 JECGPSBXGNOQLY-FQEVSTJZSA-N 438.940 5.234 30 10 IKEE C=CCn1c(COc2ccc(Cl)cc2C)nnc1SCC(=O)Nc1ccc(C)cc1 14088891 NJOVVYFTWZKCFS-UHFFFAOYSA-N 442.972 5.044 30 10 IKEE Cc1ccccc1CSc1nc2n(n1)[C@@H](c1ccc(F)cc1)C1=C(CC(C)(C)CC1=O)N2 20849999 JUKDLBOOVVEHSI-QFIPXVFZSA-N 448.567 5.676 30 10 IKEE CC(C)COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccco2)cc1 20882248 RADVMUWFAJGTMW-PPHZAIPVSA-N 428.532 6.294 30 10 IKEE COc1ccc(/N=C2\Sc3nc4c(C)cccc4cc3CN2C2CCCCC2)c(OC)c1 33938563 SHQCJEZNACXXKM-RQZHXJHFSA-N 447.604 6.489 30 10 IKEE CCc1ccc(/C=C2\S/C(=N/c3cccnc3Cl)N(C3CCCCC3)C2=O)cc1 39864161 NTRILSIVRPKZFO-PKPRBZMYSA-N 425.985 6.234 30 10 IKEE COc1ccc(CN2COc3cc(C)c4c(c3C2)O/C(=C\c2ccc(F)cc2)C4=O)cc1 41644452 WTJUEUNZEBEQHY-FMCGGJTJSA-N 431.463 5.111 30 10 IKEE CCN(CC)C(=O)[C@@H]1CCCN(c2ccc(C(F)(F)F)cc2/N=C/c2ccccc2O)C1 59463186 GBJVJBFHWJWQRC-OVNWTWFZSA-N 447.501 5.246 30 10 IKEE C=CCn1c(SCc2cn3c(C)cc(C)nc3n2)nnc1-c1ccc(C(C)(C)C)cc1 60579533 UDSWASCMYRMALO-UHFFFAOYSA-N 432.597 5.380 30 10 IKEE CCCCCCCCCCCCCCCCCCNC(=O)NC(=O)c1ccc(O)cc1 100309126 ZBCLYIOJXCTIPL-UHFFFAOYSA-N 432.649 7.093 30 10 IKEE FC(F)=C(F)OC(F)(F)[C@](F)(Oc1c(F)c(F)c(F)c(F)c1F)C(F)(F)F 100424177 QYMQYPBAGDZNMY-SECBINFHSA-N 430.091 5.634 30 10 IKEE COc1ccc(/C=C2\C[C@H]3[C@@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1 118919648 RZZSYQOCHYTRMK-BDYVNMJCSA-N 448.603 6.152 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2ccc(C)cc2)c1 169934393 IKRDNWJIGMVYKD-XMMPIXPASA-N 438.483 5.268 30 10 IKEE CCN(Cc1ccccc1)c1ccc(/C=N\Nc2nc(-c3ccccc3)c(C)s2)cc1 169943181 CTOKLICSHHJLNO-IMRQLAEWSA-N 426.589 6.591 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(OC(C)C)cc1 169979366 VWEJWEYZFKQRTF-XMMPIXPASA-N 449.547 5.312 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@H]1c1cccs1 169984835 GGNWMTQJHDWKQJ-JOCHJYFZSA-N 437.948 5.812 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1cccs1 169985859 NNMNLWHBUSPGFE-HXUWFJFHSA-N 439.920 5.501 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCCC2)c1 170039254 NZHOEQIKNCPQQF-XMMPIXPASA-N 433.548 5.613 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccccc2)cc1 170047840 FCUVVCYEYHYBMV-XMMPIXPASA-N 426.516 5.098 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccccc1F 170072495 IONDSVYSULMWHH-QHCPKHFHSA-N 449.453 5.060 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2OC)cc1Cl 170122430 YOHPBHPIQAWHQL-QFIPXVFZSA-N 449.890 5.140 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccc(C)c2)cc1OC 170140882 HOACBGIASHYSLX-XMMPIXPASA-N 443.499 5.104 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1cccs1 170154110 LLELFYHVPOWXTB-SFHVURJKSA-N 445.949 5.250 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccn2)cc1C 170169235 UPMOLGANZWAVOT-HSZRJFAPSA-N 446.478 5.101 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2cccnc2)cc1 170184167 OMQPFSIGYJTCKQ-QHCPKHFHSA-N 446.478 5.038 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3cccc(OCC)c3)=C(O)C(=O)N2CCC)cc1 170215950 DNHHBSNYOXBZCE-HSZRJFAPSA-N 437.536 5.253 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccccc2)cc1 170227197 ASZBHYODOCHLFM-DEOSSOPVSA-N 427.500 5.565 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1ccc(F)cc1 170243853 XRPRLPRQIPIFMB-QFIPXVFZSA-N 425.500 5.383 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccccc1F 170249337 YPBAQTUWQYYHFM-HSZRJFAPSA-N 445.490 5.542 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCCC)c2)[C@@H]1c1cn(C)c2ccccc12 170269149 KMMFHNOXQFXRRG-DEOSSOPVSA-N 446.547 5.346 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2C)c1 170273993 MMFCLGKNVGRMHA-QHCPKHFHSA-N 431.488 5.155 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1CCCOC(C)C 170278062 WSCKTNPRKNNVSU-OAQYLSRUSA-N 427.928 5.042 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)cc(OC)c3o2)[C@H]1c1ccco1 170295026 FZCPPLCGEFTQMD-LJQANCHMSA-N 443.883 5.456 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2cn(C)c3ccccc23)c1 170394539 REBOBEFLQHMNIT-QHCPKHFHSA-N 426.472 5.171 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 170421602 DQGNRYJIMIHZQI-QFIPXVFZSA-N 433.891 5.127 30 10 IKEE CCCCOc1ccc(/C=C2/C[C@@H](C)C/C(=C\c3ccc(OCCCC)cc3)C2=O)cc1 253574476 SQTMGMBLJHAWKX-CHYWLHABSA-N 432.604 7.510 30 10 IKEE COc1ccc(Br)cc1C=Nc1sccc1C(=O)Nc1ccc(Cl)cc1 254294614 QGQQLRXVVRUWGI-UHFFFAOYSA-N 449.757 6.176 30 10 IKEE COc1ccc(C=N/N=C(\NC(=O)Nc2ccccc2)SCc2ccc(F)cc2)cc1 254736371 HRPIWMDRJKDSQV-UHFFFAOYSA-N 436.512 5.279 30 10 IKEE CCCN[C@H](CC#CC(C)(C)C)c1cc(NC(=O)OC(C)(C)C)ccc1Br 407408616 KIDQVGBETCKXOA-LJQANCHMSA-N 437.422 6.276 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccc(O)c2)cc1 526517746 WBAFYSATJCWVHN-DEOSSOPVSA-N 426.472 5.110 30 10 IKEE N#Cc1ccccc1NC1=C(Cl)C(=O)N(c2ccccc2Sc2ccccc2)C1=O 526677124 IHKZZKXNMCLIPO-UHFFFAOYSA-N 431.904 5.145 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Cl)cc2C)cc1O 526744519 OQGIBELMQRZZLW-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE CCCCCCCOc1ccccc1/C=N\n1cnnc1SCc1ccc(F)cc1 526801238 GZXQKERQPZMFEJ-QQXSKIMKSA-N 426.561 5.941 30 10 IKEE CCc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)c(Cl)c2)cc1 586238521 XUCKGEJTWBTMFO-UHFFFAOYSA-N 428.916 5.309 30 10 IKEE N#Cc1ccccc1NC(=O)Nc1ccc(C(=O)NC2CCCCCCCCCCC2)cc1 586688506 SVOAFACEMIWAQX-UHFFFAOYSA-N 446.595 6.605 30 10 IKEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccc(Cl)cc1Br 698378463 VXWATMJLIXUQHQ-KRWDZBQOSA-N 444.801 5.246 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1ccccc1C1CC1 698403353 CDAPALPIBICFHA-HXUWFJFHSA-N 427.342 6.333 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@H](C#N)c1ccc(Br)c(Cl)c1 698422996 FRVAUYHPLDODJH-GOSISDBHSA-N 435.749 6.104 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@](C)(C#N)Cc1ccc(F)cc1 698457575 LSLPLUHZAGNVTH-NRFANRHFSA-N 433.321 5.855 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@](C)(C#N)Cc1ccc(F)cc1 698457580 LSLPLUHZAGNVTH-OAQYLSRUSA-N 433.321 5.855 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@](C)(C#N)Cc1ccc(F)cc1 698482164 MSPFHIDHGLNNQV-NRFANRHFSA-N 433.321 5.855 30 10 IKEE Cc1sc([C@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)cc1Br 698828762 NQONFLDFSHGKRM-AWEZNQCLSA-N 427.389 5.883 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2cc(Br)c(Cl)s2)cc1 698985255 HLCBCVPKBBLQEB-AWEZNQCLSA-N 441.778 6.479 30 10 IKEE Cc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)c(C)c1Br 719633429 MRWIKGXUHJNYSV-GOSISDBHSA-N 433.321 6.211 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C1 724081456 PNZMPJBVYWHSPO-UUOWRZLLSA-N 435.609 5.533 30 10 IKEE CC(C)[C@@H]1CC[C@H](C)/C(=C/Nc2ccccc2N/C=C2\C(=O)[C@@H](C(C)C)CC[C@H]2C)C1=O 820728992 DKFUOMWETOKXBE-GGDLKYPASA-N 436.640 6.821 30 10 IKEE C=C1/C(=C/C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@@H](C)C(C)(C)O)C[C@H](O)C[C@H]1O 1083807082 ZGLHBRQAEXKACO-IHLCIVKSSA-N 428.657 5.727 30 10 IKEE CC(C)(C)c1ccc(C=NN=C2S/C(=C\c3cccnc3)C(=O)N2Cc2ccco2)cc1 1772758163 PJNOLZRIJFFJPP-KITBCUSZSA-N 444.560 5.479 30 10 IKEE CCc1ccc(NC(=S)N/N=C\c2cn(-c3ccc(F)cc3)nc2-c2ccccc2)cc1 1857809010 PCCYYEDIPJSMDA-YUMHPJSZSA-N 443.551 5.561 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc3c(OC(=O)N4CCOc5ccccc54)cccc23)c1 1858779921 GFDPPVSXXRFUJM-UHFFFAOYSA-N 449.466 5.362 30 10 IKEE O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 1860727423 MJEDLKUCNFCNOU-QHHAFSJGSA-N 433.169 5.141 30 10 IKEE Cc1ccc2nc(-c3ccc(NC(=O)C(=O)/C=C/c4cccc5ccccc45)cc3)sc2c1 1860727910 MKCQTHDFNQYANV-FOWTUZBSSA-N 448.547 6.646 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CSC(C)C 1860924543 DUPVPRGUYFMHST-QFIPXVFZSA-N 438.653 5.252 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)c1ccc(OC(C)=O)cc1 1861373092 DMCXAAPASMWFQH-QHCPKHFHSA-N 432.605 5.157 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@@H]2c2ccccc2F)cc1 1862430419 JYDYUPRWADKDOY-QHCPKHFHSA-N 449.909 5.609 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862476347 JAXZTMKHAXTYGI-XMMPIXPASA-N 433.548 5.695 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCc2ccccc2)c1 1862490366 UGTGLBBJCOQGNN-RUZDIDTESA-N 425.528 5.433 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@H]1c1ccccc1 1862513763 DAHPUGLZYTYTRZ-WIOPSUGQSA-N 449.591 6.413 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc(O)cc2)cc1 1862515090 OZTRMOQAQDNEQJ-VXWZWFMZSA-N 449.547 5.338 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(CC)cc1 1862529379 FLNURJZFTOOZQI-RUZDIDTESA-N 449.591 5.597 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccccc2C)cc1F 1862638450 BEANWGZXMAEFBK-BXKMTCNYSA-N 445.490 5.482 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(F)cc2)cc1 1862662411 JRHQQKLSOMQONC-XMMPIXPASA-N 435.539 6.250 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCC(C)C)c1 1862663825 CCLYZMSYBVKOJZ-XMMPIXPASA-N 435.564 5.833 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862674073 SCNXFJZZTKHLEI-MZNJEOGPSA-N 429.491 5.728 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862703348 UWGREQXMBQBIOU-BXKMTCNYSA-N 443.499 5.043 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(Cl)cc1Cl 1862706246 RJAXRDCFAMSJMR-BLVKFPJESA-N 434.319 5.379 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccc(Cl)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1863030965 UVPPNEWFTDMWJQ-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CC[C@@](C)(NC(=O)C[C@@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccccc1C#N 1866747002 SBTWKYQDKDHZFH-YIXXDRMTSA-N 433.596 5.735 30 10 IKEE CCCC[C@H](NC(=O)C[C@H](c1ccc(F)c(C)c1)C(C)C)C(=O)Nc1ccccc1C#N 1866766407 NEWZCUCYZJCPAQ-URXFXBBRSA-N 437.559 5.449 30 10 IKEE CC[C@@](C)(NC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866994023 FXAYMMWTGSQDPT-NFBKMPQASA-N 446.378 5.528 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3cc4cccc(C)c4nc32)nc(-c2ccccc2C)n1 1869140163 UYMXXUNLKJYBPX-UHFFFAOYSA-N 447.586 6.181 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC[C@H](Oc3ccccc3)C2)nc(-c2ccc(F)cc2)n1 1869282922 KBQBNHOPNQYRLU-DEOSSOPVSA-N 444.554 5.509 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)NCCCC)c(=O)cc1CN(CC)CC 1870518494 ZLMFJQWMIWLKCQ-UHFFFAOYSA-N 449.680 5.126 30 10 IKEE C#CCOc1cn(Cc2ccc(F)cc2)c(CN(CCCC)CCCCCC)cc1=O 1870560973 SZMHSQPBMAALTL-UHFFFAOYSA-N 426.576 5.230 30 10 IKEE C=CCn1cc(OCCCOc2ccc(Cl)cc2)c(=O)cc1CN(CCC)CCC 1870779164 VAKZIJITSQAGDW-UHFFFAOYSA-N 432.992 5.158 30 10 IKEE C=CCn1cc(OCCOC(C)C)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870986738 IZLPCWHIFXHBPF-UHFFFAOYSA-N 433.552 5.194 30 10 IKEE CCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(OC)cc1C 1871251197 SDCPOMQVNARVCK-UHFFFAOYSA-N 431.536 5.028 30 10 IKEE CC(C)Cn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccccc1C(C)C 1871251473 GRPWKQZLBWYETJ-UHFFFAOYSA-N 429.564 5.690 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(=O)c(-c4ccc(OC)cc4)c(C)oc3c2)cc1 1871389598 DZLLUZXWVWULRY-UHFFFAOYSA-N 442.467 5.561 30 10 IKEE Cc1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)c1C 1871414660 VTGHNNSHARYNRL-ZKDCOOFMSA-N 431.463 5.465 30 10 IKEE CCOc1ccccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1cccs1)C2=O 1871417555 DLVUYAZMCXHTBR-BKUYFWCQSA-N 435.501 5.089 30 10 IKEE N#Cc1ccc(COc2ccc3c(=O)c(-c4ccc(OC(F)(F)F)cc4)coc3c2)cc1 1871418127 YDBLRWIVCXDOGM-UHFFFAOYSA-N 437.373 5.809 30 10 IKEE Cc1cccc(C(C)C)c1NC(=O)COc1ccc2c(c1)O/C(=C\c1cccs1)C2=O 1871422556 QTMUXBKAYUIIIR-XKZIYDEJSA-N 433.529 5.814 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2cccs2)C3=O)c(Cl)c1 1871435944 HMIWEEQIPJYVGB-JAIQZWGSSA-N 439.920 5.652 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(C(C)(C)C)cc2)ccc2c1O/C(=C\c1cccs1)C2=O 1871445209 NBHAMVJULIQSGQ-HMAPJEAMSA-N 447.556 5.988 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C)c(C)c4)cc(C)c3C2=O)cc1 1871458537 BFMYBCCZFADDDE-CFRMEGHHSA-N 427.500 5.554 30 10 IKEE CCc1ccccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(C)cc1)C2=O 1871459171 UXQRVJILPNMTAD-OYKKKHCWSA-N 427.500 5.500 30 10 IKEE C=CCN=c1nc(Nc2ccc(OCCCCCC)cc2)[nH]c(N2C[C@@H](C)C[C@H](C)C2)n1 1871610535 HLZLWPTXERLZSP-PMACEKPBSA-N 438.620 5.076 30 10 IKEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1871896398 KGTLIBQRAKIARU-HSZRJFAPSA-N 442.625 5.213 30 10 IKEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 1872019458 VUWDRPIFOCEURW-HSZRJFAPSA-N 442.625 5.277 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 1872136343 HIJAJPBCAWOQLL-OAQYLSRUSA-N 434.989 5.104 30 10 IKEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1cccs1 1872443985 RBOYLQASFISEJF-HXUWFJFHSA-N 434.627 5.102 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)cc1C)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872547668 FHFQSRFXIVMOSG-GBXCKJPGSA-N 442.625 5.232 30 10 IKEE CCCOc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 1872760388 NEBGRHRGJDDAFQ-QHCPKHFHSA-N 430.573 5.897 30 10 IKEE N#C[C@H](C(=O)Cc1ccccc1[N+](=O)[O-])c1nc(-c2ccc(Cl)cc2Cl)cs1 1872762339 JTQPUOIVKZFQNQ-CQSZACIVSA-N 432.288 5.444 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(Cl)cc3Cl)n2)cc1 1872768234 NLSKFDFEWNSHCY-OPUMOTSWSA-N 443.355 6.405 30 10 IKEE CC(=O)Nc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 1872768833 CZEVCUGAPIUIPZ-MRXNPFEDSA-N 444.343 5.494 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3cc(OC)ccc3OC)n2)cc1 1872770306 POZKARCKIVUSOE-FQEVSTJZSA-N 436.533 5.035 30 10 IKEE CC(C)(C)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 1872770390 RTYZKODYXXXHPQ-INIZCTEOSA-N 429.372 6.904 30 10 IKEE Cc1cc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(Cl)c(Cl)c3)n2)ccc1F 1872772041 IMZUEWTXDMXJID-MIOHMZDASA-N 431.319 6.454 30 10 IKEE C[C@H](Oc1ccc(Cl)cc1)C(=O)[C@H](C#N)c1nc(-c2ccc(C(C)(C)C)cc2)cs1 1872773598 RLRUEOWYEGRLEJ-YWZLYKJASA-N 438.980 6.405 30 10 IKEE Cc1cccc(N2C(=O)c3ccc(C(=O)[C@H](C#N)c4nc(C(C)C)cs4)cc3C2=O)c1C 1872774443 REKKFXUNBCRZID-IBGZPJMESA-N 443.528 5.174 30 10 IKEE N#C[C@@H](C(=O)c1ccccc1C(=O)c1ccccc1)c1nc(-c2ccc(F)c(F)c2)cs1 1872779739 QCDDKFDDKCSNGT-IBGZPJMESA-N 444.462 5.809 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC2CCCCC2)=C(c2ccc(C)c(C)c2)C1=O 1873139564 RLPCTASKIIKGBU-UHFFFAOYSA-N 438.656 6.446 30 10 IKEE Cc1ccc(COc2ccccc2/C=N/Nc2oc([C@@H]3C[C@@H]3c3ccccc3)nc2C#N)cc1 1873470662 OFEYFVLQLXDRNJ-NHRMUOROSA-N 448.526 6.151 30 10 IKEE C=C(C)Cn1c(-c2cc(Br)c(OCCCC)c(OC)c2)nc2ccccc21 1873522508 YZVDBMNTOAGMJH-UHFFFAOYSA-N 429.358 6.229 30 10 IKEE C=C(C)CSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccc[nH]1 1874192547 FJRXUBQLERMWKA-DHRITJCHSA-N 444.004 5.438 30 10 IKEE Cc1ccc(/C=N/n2c(COc3ccccc3Cl)nnc2SCc2ccccc2)cc1 1874266854 SEANZCZSMUKDLB-CVKSISIWSA-N 448.979 5.993 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(Cl)cc3)n2/N=C/c2cccc(C)c2)cc1 1874339350 SJNUXZZXVPATJB-JVWAILMASA-N 447.007 6.314 30 10 IKEE COc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2ccccc2C)cc1 1874349521 PWYMIFCPQRFASX-ZXVVBBHZSA-N 442.588 5.403 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SC)cc1OC 1874377187 JOFDVUMJZPWLCA-PCLIKHOPSA-N 442.560 5.190 30 10 IKEE Cc1cccc(CSc2nnc([C@@H](C)c3ccccc3)n2/N=C/c2ccc(O)c(O)c2)c1 1874393572 QOJZMIKEVBLRQC-CMPFEXHJSA-N 444.560 5.324 30 10 IKEE COc1cccc(/C=N/n2c(Cc3cccs3)nnc2SCc2ccc(C)cc2)c1 1874411292 NCFNGUCFRSNSIF-BUVRLJJBSA-N 434.590 5.422 30 10 IKEE CC(C)(C)Cc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1cccs1 1874440324 UODMBAIKTAHIQU-SSDVNMTOSA-N 439.437 6.410 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1cc(Cl)ccc1O 1874440815 VFWKAUXOLVCGGT-WYMPLXKRSA-N 449.407 6.054 30 10 IKEE Cc1ccccc1CSc1nnc([C@@H]2CCCO2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874444202 UDQRSXNZKNGNDE-SYOQMXFQSA-N 434.609 5.910 30 10 IKEE Cc1cccc(CSc2nnc(C3CCCC3)n2/N=C/c2cccc3ccccc23)c1 1874454480 NXGWWNRASRSPIO-WPWMEQJKSA-N 426.589 6.572 30 10 IKEE Fc1cccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2-c2ccco2)c1 1874469499 JINZFJZLKBERDU-BHGWPJFGSA-N 430.867 5.644 30 10 IKEE C=CCSc1nnc(C(C)(C)C)n1/N=C/c1ccc(OCCCCC)c(OCC)c1 1874484621 FEKGMWRMZQTEKR-JJIBRWJFSA-N 430.618 5.704 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCc3ccccc3C)nnc2C2CCC2)cc1 1874494982 NWHFXCQNALTDSK-YZSQISJMSA-N 433.625 5.875 30 10 IKEE CC(C)c1nnc(SCc2ccccc2)n1/N=C/c1cc(Br)ccc1F 1874513758 OIPJLQQNYNAEII-SSDVNMTOSA-N 433.350 5.478 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2C)cc1 1874575702 BMKMMXUSNQGFMI-UKTHLTGXSA-N 449.934 5.879 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1 1874578031 RKFSZXCSAIQKQZ-NTUHNPAUSA-N 427.327 6.867 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2cccc(C)c2)cc1Cl 1874591178 WWNLMPMBKFHGEU-ZRDIBKRKSA-N 435.907 5.571 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 1874593644 USJNYEPQYVDCPW-XNTDXEJSSA-N 439.382 7.811 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OCc1ccc(Cl)cc1 1874611815 SKIYPWZHIOAMIE-VZUCSPMQSA-N 428.862 6.492 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Cl)c1OCc1ccc(F)cc1 1874612442 VLXJJKHHLDESEP-DHZHZOJOSA-N 445.317 7.006 30 10 IKEE COc1c(Br)cc(/C=C/C(=O)c2ccc(Cl)cc2)cc1Br 1874613157 FZLXZWGFMBMCQN-FARCUNLSSA-N 430.523 5.770 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(OC)c(OCc2cc(C)ccc2C)c(OC)c1 1874619998 DDRVWFRLIHWOGL-ZHACJKMWSA-N 446.543 6.113 30 10 IKEE Cc1nc2ccc(C(=O)Oc3cccc(/C=C/C(=O)c4ccc(F)cc4F)c3)cc2nc1C 1874699923 SYGCMAYGIWJGQG-IZZDOVSWSA-N 444.437 5.640 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(F)c(F)c3F)c2)c(C)c1C 1874712255 RIBFKEXKAOEKES-YRNVUSSQSA-N 440.417 5.845 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(C)cc3)c2)c(OC)c1OC 1874717182 CUUINJYSFCQQLS-GXDHUFHOSA-N 432.472 5.136 30 10 IKEE CCCCCCCCC(=O)NCc1nn2c(CCc3cccc4ccccc34)nnc2s1 1874770856 RIYZKGDCYQAUIP-UHFFFAOYSA-N 449.624 5.491 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3cncc(C)c3)c(OC)c2)cc1 1875099915 FLYIUNKRCLYKCQ-DHZHZOJOSA-N 431.488 5.085 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)c(C)c1 1875131105 IFRYAIZCPJDFSD-KPKJPENVSA-N 439.338 6.654 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3C)c(Cl)c2)cc1 1875137695 ZTOZBEFXJLKVIT-RIYZIHGNSA-N 434.919 6.553 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)Oc3ccc(Cl)cc3)cc2)ccc1F 1875141297 XLYYVJZHPWDESW-DRESWSQNSA-N 438.882 6.057 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Br)c1OC(=O)C(C)C 1875141992 GNVOVPXJKOTPQB-VMPITWQZSA-N 435.289 5.363 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)ccc1OC(=O)C1CCC1 1875166165 SYYLMCVEAGGHBM-SOFGYWHQSA-N 435.303 5.612 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2cccs2)c(Cl)c1 1875170663 JZAVSFSMPKQHIV-SOFGYWHQSA-N 426.921 6.142 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)c1cnccn1 1875182648 NQYVWAYXEKXAAI-AATRIKPKSA-N 436.895 5.179 30 10 IKEE COc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3c(C)cc(C)cc3C)cc2)cc1 1875182849 XVRLGHYAOMLLHT-VGOFMYFVSA-N 430.500 5.501 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)c1cncc(C)c1 1875185834 QUZOONCCDUHACT-DHZHZOJOSA-N 443.543 6.120 30 10 IKEE CC1(C)OB([C@@]23C[C@H]2CCN(Cc2cc(Br)ccc2Cl)C3)OC1(C)C 1879791891 FZDOGLGJUZLOTQ-AUUYWEPGSA-N 426.591 5.161 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)[C@@H](CC(C)C)CC(F)(F)F)cc21 1890141037 MYAGMWZKWMOLEU-HNNXBMFYSA-N 426.479 5.177 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CC1(NC(=O)OC(C)(C)C)CCSCC1)NCCC 1922092548 TYBJTJLOEODJDS-JOCHJYFZSA-N 448.673 5.308 30 10 IKEE C=C(COCc1ccccc1)[C@H](N)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 1922114578 ZPCPGBOIFOJVHA-FQEVSTJZSA-N 447.373 5.569 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)CC1(C)C 1934258099 OXSMXVGRNOSAPV-DEOSSOPVSA-N 429.561 5.105 30 10 IKEE CC[C@H](NC(=O)OC(C)(C)C)[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1936065358 BIJXRDLDKICBTH-JTSKRJEESA-N 437.968 5.667 30 10 IKEE CC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1938153995 ADDZCAULJGXZMM-MAUKXSAKSA-N 437.968 5.525 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc([C@@](C)(C#N)N(C(=O)OC(C)(C)C)C2CCCC2)c1 1940970733 LNNDCDZNNHQNKB-XMMPIXPASA-N 429.561 5.952 30 10 IKEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1978279953 PDMDOHRRHJEVFV-AOMKIAJQSA-N 435.590 5.024 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)OC(C)(C)C)NCCC 2007959575 XFMQEFZXAYMPMV-OLKYXYMISA-N 428.617 5.306 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@](C#N)(N(C(=O)OC(C)(C)C)C3CCCC3)C[C@@H]21 2048096832 WTNSDDSJCUFFMC-AOUJKTHWSA-N 447.620 5.628 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)c(C)c(Br)c1)NC 2048642621 KMNHEONIWLJBDT-IRXDYDNUSA-N 431.802 5.011 30 10 IKEE C=C1C(=CC=C2CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)C=C[C@H](C)C(C)(C)O)C[C@@H](O)C[C@H]1O 2053528693 ZGLHBRQAEXKACO-AOLKZTAVSA-N 428.657 5.727 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)ccc1Br)NCCC 2063098837 JXBZGXMYHVLPRO-IRXDYDNUSA-N 431.802 5.093 30 10 IKEE C=C(CC)C[C@@H](NC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071352936 COCQIYVSMUMQQI-LEAFIULHSA-N 431.576 5.822 30 10 IKEE CC(C)(C)[C@@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C2CC2)c(C#N)c1Br 2079983499 DXVRGWYHBBBFQH-MRXNPFEDSA-N 444.270 6.188 30 10 IKEE CCOc1ccc([C@H](n2nc(C(C)(C)C)c(C=NO)c2Br)C(C)(C)C)cc1 2080108064 XNCSUHYAHVIQFX-SFHVURJKSA-N 436.394 5.785 30 10 IKEE COc1c2c(nc3c(-c4ccc(C(F)(F)F)c(F)c4)c(C(F)(F)F)nn13)CSC2 2081421661 CEDIOPLLHJXGEC-UHFFFAOYSA-N 437.340 5.328 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@@H](C(C)C)N(Cc3ccccc3)C2)c1 2090226608 JGZYBOUYTGXKDS-RPLLCQBOSA-N 449.595 5.630 30 10 IKEE CCCc1ncc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)s1 2114348149 QMRILWFTIXKJAG-HNNXBMFYSA-N 436.375 5.864 30 10 IKEE CN(c1ccc(C#N)c(Br)c1F)C1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2151256247 ACASTNIAOLWDKN-DFNIBXOVSA-N 428.349 5.092 30 10 IKEE N#Cc1ccc(N2CCCCN(Cc3ccccc3)CC(F)(F)C2)cc1Br 2164877097 QXWZNTYYBLKXFG-UHFFFAOYSA-N 434.328 5.058 30 10 IKEE CC(C)N(C[C@H]1CCCN(c2cccc(Br)c2C#N)C1)C(=O)OC(C)(C)C 2174815827 XQBOKBVEAOVUEV-INIZCTEOSA-N 436.394 5.183 30 10 IKEE CCN(C(=O)OC(C)(C)C)c1ccc(CNc2ccc(Br)cc2C#N)cc1 2176855683 KBZZRGZCZXTJJF-UHFFFAOYSA-N 430.346 5.694 30 10 IKEE CCC(C)(C)N(CCC#N)C(=O)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2181044292 ATNOXBGEGICECL-UHFFFAOYSA-N 438.366 5.341 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2cc(Br)cc(F)c2C#N)C[C@@H]1C1CC1 2198267719 VWXQCYINFKAOER-RDTXWAMCSA-N 438.341 5.050 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(C#N)c(Br)c2F)C[C@@H]1C1CC1 2198268197 ZJULAYZJFQNQGQ-GOEBONIOSA-N 438.341 5.050 30 10 IKEE O=C1CCCCC=C1c1sc(Br)c(Br)c1Br 2212190842 CNWWKWGSUYZPLL-UHFFFAOYSA-N 428.971 5.562 30 10 IKEE C=CCCCCC[C@H](O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229107426 KGBMDBNFJSGZJQ-OALUTQOASA-N 426.395 5.382 30 10 IKEE COc1ccc(F)c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)c1 2235968484 SBGMGILKTIYXJH-GOSISDBHSA-N 435.293 5.603 30 10 IKEE C#CCCCC[C@@H](NCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237419026 XKRDVRUNAQUHKZ-UXHICEINSA-N 437.422 5.057 30 10 IKEE C=CC[C@H](C)[C@@H](NCCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237425641 VETKLCTZFRFUJC-PWIZWCRZSA-N 439.438 5.465 30 10 IKEE C#CCCCCC[C@H](NCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248468995 QZBZGEKXRFXRBD-QHCPKHFHSA-N 428.617 5.002 30 10 IKEE C=CC[C@@]1(COc2ncc(Cl)cc2Br)CCCN1C(=O)OC(C)(C)C 2259490799 ZVDBCCIHHIRXLP-SFHVURJKSA-N 431.758 5.222 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(F)cc(Br)c1F 2272730520 BYBZWEGMZKELPW-RDJZCZTQSA-N 433.337 5.237 30 10 IKEE CC1(C)CCC(C)(C)[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Br)c2)C1 2290247452 NWGPGMQSUUCIMV-QFIPXVFZSA-N 435.406 6.689 30 10 IKEE CCCCCOc1ccc([C@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2c2cc(C)on2)cc1 2296342644 MEOYOBMIGCKVMI-QHCPKHFHSA-N 446.503 5.178 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(O)c3CN3C[C@H](C)C[C@@H](C)C3)C2=O)c2ccccc21 2296603258 NZJVEMLDYNICJQ-QZTJIDSGSA-N 430.548 5.461 30 10 IKEE CON=C(C)[C@H]1C(=NOC)C[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 2297548842 KLCZPBNZZJGNRW-TZKIXTLCSA-N 432.605 5.212 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)c1 2302796189 PTIAXSLNQVZTMZ-HSALFYBXSA-N 429.561 5.322 30 10 IKEE COc1ccc(C=C2SC(=Nc3cccc(Cl)c3Cl)NC2=O)c2ccccc12 2313511416 PRTGSTOLFKQYGR-UHFFFAOYSA-N 429.328 6.047 30 10 IKEE Cc1ccc(COc2cccc(C=C3SC(=Nc4ccncc4Cl)N(C)C3=O)c2)cc1 2314543003 SMDQIOFRTNHNBN-UHFFFAOYSA-N 449.963 5.856 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1N=Cc1c(C)n(C)c2ccccc12 2318574614 OJYAXFAXQBQJIB-UHFFFAOYSA-N 435.572 5.734 30 10 IKEE CCOc1ccc(C=CC(=O)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 2318788475 KYXMGVJOSVRKJM-UHFFFAOYSA-N 431.332 5.344 30 10 IKEE Cc1ccccc1COc1ccc(C=Nn2cnnc2SCc2ccccc2C)cc1 2321239076 ZDRUCYOQKFBKMA-UHFFFAOYSA-N 428.561 5.648 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc4c(c1)OCO4)O3)CN(CCC1=CCCCC1)CO2 2322107595 BAFHTGJIKSZOPI-UHFFFAOYSA-N 445.515 5.382 30 10 IKEE CCn1cc(C=C2Oc3c(ccc4c3CN([C@H]3CCCC[C@@H]3C)CO4)C2=O)c2ccccc21 2322146232 VUHFDPMBDMOUEU-MBSDFSHPSA-N 442.559 6.008 30 10 IKEE CC[C@@H](C)N1COc2c(cc3c(c2C)OC(=Cc2cc(Cl)cc4c2OCOC4)C3=O)C1 2322371190 RGTQRFAWFZDACT-CYBMUJFWSA-N 441.911 5.082 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCc3ccccc3Cl)ccc3ccccc23)cc1F 2322708401 LUZSVJGSHDYCER-UHFFFAOYSA-N 446.905 7.116 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)c4ccc(Cl)c(Cl)c4)ccc3C2=O)cc1 2323258932 GIJMBSHNHYCZQH-UHFFFAOYSA-N 441.266 5.837 30 10 IKEE O=C(COc1cccc(C=CC(=O)c2cc(Cl)ccc2Cl)c1)NCc1ccco1 2323327680 KGAVWGDALKHVSG-UHFFFAOYSA-N 430.287 5.178 30 10 IKEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1ccccc1F 2323370826 XHSDUCWSAHCUQQ-UHFFFAOYSA-N 437.423 5.226 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)ccc1OCC(=O)Nc1ccccc1C 2323503246 BIYOTHMHMNJUGE-UHFFFAOYSA-N 445.515 5.316 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)c4ccc(C=CC(=O)O)cc4)ccc3C2=O)cc1 2323606872 ISQDRFVJHFPCDR-UHFFFAOYSA-N 440.451 5.182 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2Cl)C3=O)cc1 2323628123 QMJGVZVLZQRQAV-UHFFFAOYSA-N 448.858 5.409 30 10 IKEE Cc1cc(OC(=O)c2ccc(OC(C)C)cc2)cc2c1C(=O)C(=Cc1cccc(Cl)c1)O2 2323813372 CXVBPXRIZGMELF-UHFFFAOYSA-N 448.902 6.271 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3F)c(OCC)c2)cc1 2323934105 CRLCFKBMQYSZTD-UHFFFAOYSA-N 434.507 6.488 30 10 IKEE CCc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccc(C)cc4)ccc3C2=O)cc1 2324373492 XPTVURPNTUBTNB-GOSISDBHSA-N 427.500 5.580 30 10 IKEE CCOc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccc(C)o2)C3=O)cc1 2324522181 YXEJWVBJLHQCHM-KRWDZBQOSA-N 447.487 5.317 30 10 IKEE CCOc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 2324534770 JSORGUBNPGSFPM-KRWDZBQOSA-N 443.355 6.405 30 10 IKEE CN(C)c1ccc(C=C2Oc3cc(OCCCOc4ccc(Cl)cc4)ccc3C2=O)cc1 2324548083 FSPALESUMXMWRX-UHFFFAOYSA-N 449.934 5.870 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1Cl)C2=O 2325005071 VPSQDFDUWMAEMW-UHFFFAOYSA-N 447.918 5.845 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccc2c(c1C)OC(=Cc1cccc(Cl)c1)C2=O 2325502828 YDAUPDATUVKQNM-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE COc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)Cc1cc(C)ccc1C 2325669688 NOTQQGDEVIAYEA-UHFFFAOYSA-N 445.471 5.264 30 10 IKEE CC(C)c1ccc(C=C2Oc3cc(OCC(=O)Nc4cccc(Cl)c4)ccc3C2=O)cc1 2325716953 MMQNEUMFLAKFOX-UHFFFAOYSA-N 447.918 6.097 30 10 IKEE CCCCC(=O)Oc1cc(C=CC(=O)c2cc(C)ccc2C)c(Br)cc1OC 2325740288 MJOIMWJAOBYZMF-UHFFFAOYSA-N 445.353 6.066 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OC(=O)COc3c(C)cccc3C)c2)c1 2325744614 KTDQRIMHVPLGBF-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc1OC(=O)C1CCCC1 2325752407 MYJRPOBTYFIILM-UHFFFAOYSA-N 436.548 5.993 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2cccc(OC(=O)c3ccc(F)cc3)c2)cc1Cl 2325759520 MPXWVBXOIITACQ-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1cccc(C)c1 2325909957 SORYWXKHOOUJTB-UHFFFAOYSA-N 435.380 5.857 30 10 IKEE CCCSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1cc(C)ccc1O 2325966886 HMDMJRPCQWIYPI-UHFFFAOYSA-N 445.386 5.030 30 10 IKEE CSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1cn(C)c2ccccc12 2326040430 IDYONTOQCDRNIB-UHFFFAOYSA-N 439.972 5.039 30 10 IKEE C=CCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccccc1[N+](=O)[O-] 2326605904 AUKNRTMKKJPROG-UHFFFAOYSA-N 443.532 5.285 30 10 IKEE CCCOc1c(C=Nn2c(CCC)nnc2SCc2ccc(C#N)cc2)cccc1OC 2326677558 CFOSDPZKWAPKIP-UHFFFAOYSA-N 449.580 5.074 30 10 IKEE Cc1cccc(OCCCc2nnc(SCc3ccccc3)n2N=Cc2cccs2)c1 2327008594 OQKJQRBSSVPVSI-UHFFFAOYSA-N 448.617 5.834 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2ccccc2)n1N=Cc1c[nH]c2ccccc12 2329741320 IPKXQNONFUWCBQ-UHFFFAOYSA-N 441.535 5.664 30 10 IKEE Cn1cccc1C=Nn1c(Cc2ccc(F)cc2)nnc1SCc1ccccc1Cl 2329842651 URRPXLRUGMROPR-UHFFFAOYSA-N 439.947 5.174 30 10 IKEE Cc1ccc(O)c(C=Nn2c(CCc3ccccc3)nnc2SCc2ccccc2C)c1 2330172977 RURUISDIPPVYDA-UHFFFAOYSA-N 442.588 5.560 30 10 IKEE CSc1nnc(CC2CCCCC2)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2330221219 AQRMSMORVZGFCU-UHFFFAOYSA-N 434.565 5.224 30 10 IKEE Cc1ccccc1CSc1nnc(CC2CCCCC2)n1N=Cc1ccccc1C(=O)O 2330232581 XGADYUMWEMCWAZ-UHFFFAOYSA-N 448.592 5.582 30 10 IKEE Fc1cccc(C=Nn2c(Cc3cccs3)nnc2SCc2ccccc2Cl)c1 2330398487 IZJPMCOCEBPXAR-UHFFFAOYSA-N 442.972 5.897 30 10 IKEE COc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)Cc1ccccc1 2330612010 RMRFISASWWYRLT-UHFFFAOYSA-N 448.518 6.406 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccc2ccccc2c1 2330653657 PYFVCWZLIPMNCJ-UHFFFAOYSA-N 436.551 6.858 30 10 IKEE Oc1cccc(C=Nn2c(SCc3cccc4ccccc34)nnc2-c2ccccc2)c1 2330683729 POFHITZWSISVFB-UHFFFAOYSA-N 436.540 5.978 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(C2CCCC2)n1N=Cc1ccccn1 2331081377 TZTDOGKWNFOLFD-UHFFFAOYSA-N 432.380 5.812 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(SCc2cccc(F)c2)nnc1C(F)(F)F 2331123514 JDHCLVKPRBYZPN-UHFFFAOYSA-N 438.450 5.398 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OC(=O)c1ccccc1OC 2331173928 LVOTZZZLGQBXKR-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE Fc1ccc(CSc2nnc(-c3ccco3)n2N=Cc2ccc(C(F)(F)F)cc2)cc1 2331175735 KNCDPHQVKMZDSN-UHFFFAOYSA-N 446.429 5.871 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc4ccccc4n3C)c(Cl)c2)c(C)c1 2331224303 HNBOOIMUZJTHEX-UHFFFAOYSA-N 443.930 6.564 30 10 IKEE Cc1ccc(O)c(C=Nn2c(CC(C)C)nnc2SCc2c(Cl)cccc2Cl)c1 2331461146 PNAXVPFMYOYZFO-UHFFFAOYSA-N 449.407 5.972 30 10 IKEE CC(C)Cc1nnc(SCc2cccc(Cl)c2)n1N=Cc1cc(Cl)ccc1O 2331471072 KQHBOUHOTAWIMY-UHFFFAOYSA-N 435.380 5.664 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)c1ccccc1 2331507819 AOUQDLPSOOGAFD-UHFFFAOYSA-N 440.539 6.662 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(C(C)C)n1N=Cc1ccc(Cl)cc1 2331674898 QOCDPSRMQCOFTB-UHFFFAOYSA-N 441.988 5.230 30 10 IKEE CCCSc1nnc(C(C)C)n1N=Cc1ccc(OC(=O)c2ccccc2)c(OC)c1 2331705621 OSWBAIUDQAEEAO-UHFFFAOYSA-N 438.553 5.014 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OC(=O)Cc2ccc(C)c(C)c2)cc1 2331741322 POYMSHXQRCEOBC-UHFFFAOYSA-N 448.946 6.318 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)Cc2cccs2)c(Cl)c1 2331876757 ZEGWFWPBUGZGSR-UHFFFAOYSA-N 447.339 6.108 30 10 IKEE N#C[C@@H](Nc1ccccc1Br)c1ccc(Cl)cc1I 2346192225 UZJZJVJXEMRFIY-CQSZACIVSA-N 447.501 5.384 30 10 IKEE NCC#Cc1ccc(CN(Cc2ccccc2)Cc2cccs2)cc1Br 2349925502 NMVCUAACHUFWHQ-UHFFFAOYSA-N 425.395 5.023 30 10 IKEE Cc1ccc([C@H]2CC(=O)C3=C(C2)NC(Nc2nc4ccccc4o2)=N[C@H]3c2ccccc2)cc1 1460153 WPCZZCNSNLXKQG-IBVKSMDESA-N 448.526 5.649 30 10 IKEE O=c1c2c(-c3ccc(Cl)cc3)csc2ncn1/N=C/c1c(O)ccc2ccccc12 1881005 MTXWALLGUQDLON-KBKYJPHKSA-N 431.904 5.519 30 10 IKEE O=C1/C(=C/c2ccc(-c3ccccc3)cc2)Oc2cc(OCc3ccccc3Cl)ccc21 2439493 FYKKVURRTAVQGP-YUMHPJSZSA-N 438.910 7.202 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccccc3s2)cc1 9993295 LXZOJAMPWCKESK-NRFANRHFSA-N 426.497 5.388 30 10 IKEE N#Cc1ccc(CSc2nnc(NC(=O)/C=C/c3cccc(C(F)(F)F)c3)s2)cc1 14621482 RKXJSPWLBLKBNY-CMDGGOBGSA-N 446.479 5.373 30 10 IKEE O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1ccc(Cl)cc1)Nc1ccccc1N2 20883493 ZNGDUZVIZVAEQX-NSYGIPOTSA-N 435.354 6.973 30 10 IKEE CC(C)COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 21255169 AHONFAWCVJGPQN-MNNSJKJDSA-N 438.571 6.701 30 10 IKEE COc1ccccc1NC(=O)c1cc2ccccc2c(/C=N/c2ccccc2Cl)c1O 27531070 OLVZZJKVKSFLPE-JFLMPSFJSA-N 430.891 6.210 30 10 IKEE CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccccc2C)C2=C(CCCC2=O)N1 27547290 JVRWCERNINRVAY-QFIPXVFZSA-N 440.465 5.620 30 10 IKEE Cc1ccc(Cn2c(O)c(C(=O)c3sc4ccccc4c3Cl)c(C)c(C#N)c2=O)cc1 38624161 IRKCWRZIXLHOCH-UHFFFAOYSA-N 448.931 5.190 30 10 IKEE Cc1occc1C(=O)Nc1ccc(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 39850883 AEEOAJUXWXSPOY-ZRDIBKRKSA-N 442.427 5.905 30 10 IKEE C=CCc1ccccc1OCCCn1c(CCCCCNC(=O)C(=C)C)nc2ccccc21 40219804 SVGDFJQITVUCIR-UHFFFAOYSA-N 445.607 5.639 30 10 IKEE COc1ccc(/C=C2\S/C(=N/N=C\c3ccccc3C)N(Cc3ccco3)C2=O)cc1 47138599 INMRLSCSOQEVFM-QXZAMSPYSA-N 431.517 5.103 30 10 IKEE CCCCCCCOc1c(Cl)cc(C(=O)Nc2ccc(C(=O)OC)cc2)cc1Cl 101138476 BGBDFXYASCVCLM-UHFFFAOYSA-N 438.351 6.382 30 10 IKEE CCCCCCCCCCCCCCCCCCOC1=C(O)[C@@H]([C@@H](O)CO)OC1=O 101617945 OIRQROBVKNWIIW-RBBKRZOGSA-N 428.610 5.313 30 10 IKEE CCCCCCCCCCC1(CCCCCCCCCC)c2ccccc2-c2ccccc21 102999377 GNBBEOGRQXANFQ-UHFFFAOYSA-N 446.763 11.015 30 10 IKEE Cc1sc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc1-c1ccccc1 103619972 LZDLLUJDADACHZ-UHFFFAOYSA-N 436.299 5.525 30 10 IKEE CCCCCCCCCOc1ccc([C@H]2NC(=S)N(C)C(C)=C2C(C)=O)cc1OCC 169937061 AXUXJXLOVPXSCD-XMMPIXPASA-N 446.657 5.939 30 10 IKEE Cc1ccc(COc2ccccc2/C=N\Nc2nc(-c3ccc(C)cc3C)cs2)cc1 169943028 SKYIJKNGZCRUFB-DICXZTSXSA-N 427.573 6.760 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccc3c(c2)OCO3)c1 169967982 YESICFMXKCHCCV-QFIPXVFZSA-N 447.874 5.160 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccs2)c1 169981934 ZRBHBDFWTSYFCC-QFIPXVFZSA-N 449.528 5.247 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cn(C)c3ccccc23)cc1C 170083908 OWJARBAIWXIGEB-VWLOTQADSA-N 436.511 5.578 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1c1ccc(F)c(F)c1 170087945 MBOPKUZFNHNTBM-QHCPKHFHSA-N 444.437 5.537 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2C2CCCCC2)cc1 170114733 VKEYQXMKRRCOCH-QHCPKHFHSA-N 431.488 5.352 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCOC(C)C)c1 170148211 BWGJYNWMHZNMJP-OAQYLSRUSA-N 427.928 5.042 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccs2)cc1 170161172 LEEWPSQEJZANPC-JOCHJYFZSA-N 444.512 5.190 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2cccnc2)cc1C 170189093 VYLKKDSXDQYPTF-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccnc2)cc1C(C)(C)C 170196903 WRBDVLGEMHGECQ-QHCPKHFHSA-N 448.563 5.299 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccncc2)cc1C(C)C 170209337 XIGFHLUBACBFCR-HSZRJFAPSA-N 434.536 5.125 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccccc2)cc1 170229181 NUIYZKUUEWJCJT-HSZRJFAPSA-N 449.453 5.537 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1c1ccc(C#N)cc1 170272789 GEMXIVFUWAWGMK-AREMUKBSSA-N 444.490 5.803 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccco2)c1 170279029 AKPWZALRQHMHIT-XMMPIXPASA-N 443.499 5.340 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccco2)ccc1OC(C)C 170281762 LNFUCWXZFZSRBS-QFIPXVFZSA-N 435.451 5.297 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2sccc2C)c(C)c1 170312462 MIZBXMGSMQDNOG-IBGZPJMESA-N 439.558 5.214 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cccc(C)c2C)ccc1OC 170440452 HGUMNQFZVJVLNY-HSZRJFAPSA-N 447.487 5.087 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]1c1ccc(C(C)(C)C)cc1 170468780 XABVIYSRYORRBR-NRFANRHFSA-N 439.983 6.461 30 10 IKEE CCc1ccccc1N=C1S/C(=C\c2ccc(O)cc2)C(=O)N1c1ccccc1CC 252616325 JZPDBACNEOGMFU-SIFMURAYSA-N 428.557 6.326 30 10 IKEE CCCCCCCCOc1ccc(C=Nn2cnc3c([nH]c4ccc(OC)cc43)c2=O)cc1 254877692 NJFMOJCCFWBABT-UHFFFAOYSA-N 446.551 5.508 30 10 IKEE CC[C@@H](CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3C[C@H](O)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 256434185 IWNCBADONFSAAW-CWMRIOGLSA-N 428.701 7.204 30 10 IKEE endogenous,in-man CCOc1ccc([C@H]2C(c3cccc(OCC)c3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526514063 BAOYDZBGMCYBDO-VWLOTQADSA-N 440.499 5.413 30 10 IKEE CN(C)c1ccc([C@H]2C(c3cccc4ccccc34)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526519415 IEOROPSFDPHRCN-MHZLTWQESA-N 445.522 5.835 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1ccc(Cl)cc1Cl 526811828 TZYBKBJPKKMDNK-MSXFZWOLSA-N 433.408 6.329 30 10 IKEE CCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1ccc(O)c(Br)c1 526818731 XULNUNFWJGZHBE-JJFYIABZSA-N 445.386 5.100 30 10 IKEE CCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccc(Br)cc2)cc1 526820658 AYXDSNDNBOAXAJ-XKZIYDEJSA-N 445.386 5.176 30 10 IKEE C=CCN(CC=C)C(=O)Nc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1 586683358 UPPQLUAELNDGMI-UHFFFAOYSA-N 432.549 5.577 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CSCCC1(C)C 698444182 LXCSVGLZBPPUBY-IBGZPJMESA-N 425.392 5.616 30 10 IKEE COc1ccc(Br)cc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 710816480 XLKLFHYYIBHPGE-KRWDZBQOSA-N 435.293 5.603 30 10 IKEE CC[C@@](C#N)(C1CN(C(=O)OC(C)(C)C)C1)N(Cc1cccs1)C(=O)OC(C)(C)C 716148673 YAKFBMBHHSCJEU-JOCHJYFZSA-N 435.590 5.024 30 10 IKEE Cc1ccccc1CSc1n[nH]c(NN=Cc2ccccc2OCc2ccccc2)n1 1084268775 MRXGPBTXJNNKLC-UHFFFAOYSA-N 429.549 5.430 30 10 IKEE O=C(ON1C(=O)c2ccccc2C1=O)c1oc2ccccc2c1CSc1cccs1 1772790963 WGWHOZRJMCIQAI-UHFFFAOYSA-N 435.482 5.155 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccc2OCCOc2cccc(C)c2)c1 1858743565 MMCLALFLQWQQFG-UHFFFAOYSA-N 445.563 5.938 30 10 IKEE Cc1nn(-c2cccc(Cl)c2)c2ncc(C(=O)Nc3sc4c(c3C#N)CCCC4)cc12 1859742754 AMCAUTSOQLGREK-UHFFFAOYSA-N 447.951 5.447 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccccc1 1862380330 ZVUCKPFODZSLLH-MMACOIQUSA-N 444.358 6.150 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(F)cc1F 1862381322 XEPDOEXVPFYJDP-KRWDZBQOSA-N 426.246 5.260 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@@H]2c2ccccc2)cc1 1862429702 SUNBGXNVSPTVJR-OSPHWJPCSA-N 445.946 6.242 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(C)cc1 1862464680 CTUVFBYKOUEAAM-FQEVSTJZSA-N 442.353 5.526 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)cc1 1862479642 MGBINVGPCLYENS-HFRGRHLUSA-N 447.575 5.941 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccc(Cl)cc2)cc1 1862486576 GVBNALWHCHABQU-DEOSSOPVSA-N 445.946 6.044 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccccc2)c1 1862487287 XLVSQMLDAZXRIR-VWLOTQADSA-N 425.528 5.699 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(CC)cc2)cc1 1862529999 MDDWSGUUYJYVPF-RUZDIDTESA-N 443.518 5.729 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCc2ccccc2)cc1 1862561050 PHFIRTIFMMCPCY-RUZDIDTESA-N 440.543 5.213 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCCCCO)cc1 1862613439 ICINWMPDUJUMPN-QHCPKHFHSA-N 435.564 5.033 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@H]1c1ccccc1F)c1ccc2c(c1)OCO2 1862626135 VPSXIMKBMPFWKK-QHCPKHFHSA-N 449.478 5.023 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(C(C)C)cc1 1862650792 DNGNPBQGBSHQFC-AVRWGWEMSA-N 427.544 6.340 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@H]2c2cccc(C)c2)cc1 1862687701 OPPCAQIUUMRFFK-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)=C(O)C(=O)N1[C@@H]1CCCC[C@@H]1C 1862736612 KRHPYSFZMPHEPZ-SAWYMBPVSA-N 434.492 5.060 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(C)cc(C)c2)=C(c2ccc(C)c(C)c2)C1=O 1863246806 NRZLOXFLKYAAOE-UHFFFAOYSA-N 432.608 6.473 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2)=C(c2cc(OC)ccc2OC)C1=O 1863372656 HOKKBLGAOCOGBT-UHFFFAOYSA-N 436.552 5.256 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(Nc3ccccc3C#N)=C(c3c[nH]c4ccccc34)C2=O)c1 1863501833 ZMEKBYIPAMZRLV-UHFFFAOYSA-N 446.510 5.049 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2cccc(Cl)c2)=C(c2ccc(F)cc2)C1=O 1863508252 XBVJRJCFJXKBEG-UHFFFAOYSA-N 442.962 5.709 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCCCO)=C(c2ccc(C)c(C)c2)C1=O 1863607138 WAFLMAWRQBQROX-UHFFFAOYSA-N 442.644 5.276 30 10 IKEE C=CCOC(=O)c1sc(NC(=O)c2ccc(-c3ccc4cnccc4c3)cc2)nc1C 1866180943 IVSNQFDGXQAFFP-UHFFFAOYSA-N 429.501 5.262 30 10 IKEE CCCC[C@H](NC(=O)[C@@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccccc1C#N 1866964419 VIPJOODVMUHWSX-LOSJGSFVSA-N 433.596 5.735 30 10 IKEE Cc1nc(C2CCN(c3cc(Nc4cccc(C#N)c4)nc(C(C)C)n3)CC2)sc1C 1868220948 CLEBSFSMKWNRQO-UHFFFAOYSA-N 432.597 5.673 30 10 IKEE N#Cc1nnn(-c2ccc(Oc3ccccc3)cc2)c1NC(=O)c1ccc2ccccc2c1 1870147160 BNCZIAYQVQHOOC-UHFFFAOYSA-N 431.455 5.337 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccccc2F)cn1CCC1=CCCCC1 1870344233 RXAIUHNCUTUTQL-UHFFFAOYSA-N 436.571 5.631 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(O)cc2)c(CN2CCCCCC2)cc1=O 1870416644 ICVZBIZZGPTCQP-UHFFFAOYSA-N 426.601 5.327 30 10 IKEE C=CCOc1cn(C[C@H](O)c2ccc(Cl)cc2)c(CNc2ccc(C)cc2C)cc1=O 1870812266 AJMVEYOZDMYKCZ-DEOSSOPVSA-N 438.955 5.029 30 10 IKEE CCCCCCCOc1cn(CCCN(C)C)c(CNc2ccc(C)c(C)c2)cc1=O 1870837515 KCYXEDTWQDOFAR-UHFFFAOYSA-N 427.633 5.378 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2F)c(CNc2ccccc2C)cc1=O 1870838786 UHMOEBHHNGEJRE-UHFFFAOYSA-N 436.571 6.305 30 10 IKEE C=CCn1cc(OCCOc2ccc(C)cc2)c(=O)cc1CNc1cc(Cl)ccc1C 1871213198 QISYESSUXXRACF-UHFFFAOYSA-N 438.955 5.374 30 10 IKEE CCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CNc1ccc(F)c(F)c1 1871258070 NOUWXJGEQGSHII-UHFFFAOYSA-N 434.571 6.524 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1cc(C)c2c(c1)O/C(=C\c1cccc(F)c1)C2=O 1871371210 KOMUTDAYSBRUAW-IWIPYMOSSA-N 446.474 5.823 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2C)C3=O)c1 1871390334 QNGAWGGNRQCJDF-HAHDFKILSA-N 442.467 5.454 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(C)o1)C2=O 1871402349 TYZVSYKAOIDRMC-QRAWFLTRSA-N 445.515 5.789 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCCOc4ccc(C)cc4)ccc3C2=O)c(OC)c1 1871404761 FBNSGBUGLAOWDY-QFEZKATASA-N 432.472 5.086 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4cc(C)ccc4C)cc(C)c3C2=O)cc1 1871410782 BYTSYFFHVAGARG-PUDRWSQFSA-N 441.527 5.942 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2sccc2C)C3=O)c1 1871411926 MGCBDRQSEGTWSG-QLTNSANVSA-N 447.556 6.004 30 10 IKEE Cc1cc(C)c(COc2ccc3c(c2)O/C(=C\c2c(Cl)cccc2Cl)C3=O)cc1C 1871417287 GPNMJAQHLYVDAI-MSXFZWOLSA-N 439.338 7.114 30 10 IKEE CCCCCCOC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(OCC)cc1)C2=O 1871421365 BJUWYRXFUHJULF-KQWNVCNZSA-N 438.520 5.512 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OC(c4ccccc4)c4ccccc4)c3C)C2=O)cc1 1871431311 NVTGTAFZGRVHEG-DIBXZPPDSA-N 448.518 6.788 30 10 IKEE CCCCCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3cc(C)ccc3OC)cs2)cc1 1872770930 IHAFXMJZJCHCHC-QFIPXVFZSA-N 448.588 6.576 30 10 IKEE CCOc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2ccc(OC)c(C)c2C)cs1 1872778016 BKOQKBKXQWLXQI-SFHVURJKSA-N 436.533 5.090 30 10 IKEE COC(=O)c1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1 1872780441 ILWXJZJLFCIAKR-MAIVGLDJSA-N 444.556 5.720 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@H](C#N)C(=O)c2ccc3nc(C)c(C)nc3c2)n1 1872781892 ZTRWEWJKBVAHPU-LJQANCHMSA-N 442.544 5.486 30 10 IKEE CCOc1ccc(CC(=O)[C@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 1872787786 REIMMLLGFZCSRG-KRWDZBQOSA-N 431.344 5.935 30 10 IKEE C=CCN(CC=C)C(=O)c1cccc(CSc2nc3ccc(OC(F)F)cc3[nH]2)c1 1872886304 RRIPCFXQOSAQMQ-UHFFFAOYSA-N 429.492 5.271 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(Cl)c2)cc2c(NCCc3ccc(F)cc3)ncnc21 1873616225 ZASRQZSPLPMQMQ-UHFFFAOYSA-N 449.917 5.317 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C(F)(F)F)cc2)cc2c(NCc3ccco3)ncnc21 1873623734 PNVGHOPQGYHEDE-UHFFFAOYSA-N 441.413 5.094 30 10 IKEE CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1cccc(Cl)c1 1874217259 CYUWMCVPROULMO-FOKLQQMPSA-N 435.380 5.775 30 10 IKEE C=C(C)CSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccccc1OC 1874255104 KJXGPGGNFQKQSE-DHRITJCHSA-N 436.581 5.341 30 10 IKEE CCCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1cccc(OCC)c1 1874255799 OJZKRQMSWOJVGB-MFKUBSTISA-N 438.597 5.565 30 10 IKEE CCCSc1nnc(COc2c(C)cccc2C)n1/N=C/c1ccc(C(F)(F)F)cc1 1874300276 MGPYUHFNPBPPMX-LGJNPRDNSA-N 448.514 5.877 30 10 IKEE CCSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1ccc(Br)cc1 1874329849 CUUFMTAOOHSRGQ-OEAKJJBVSA-N 443.414 5.437 30 10 IKEE C=CCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874343072 XSSVXCUKWSKFMZ-PCLIKHOPSA-N 425.001 5.980 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SCCO)nnc2-c2ccccc2Cl)cc1 1874369829 TWLCIRVTLKDFTB-LFVJCYFKSA-N 444.988 5.134 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)cc3)n2/N=C/c2ccc(F)cc2)cc1 1874387352 INMWCTWHJSLOCW-JVWAILMASA-N 430.552 5.799 30 10 IKEE CCCSc1nnc(CC2CCCCC2)n1/N=C/c1ccc(OCC)c(OCC)c1 1874409297 PIZIECZGEFHODM-JJIBRWJFSA-N 430.618 5.583 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(CC2CCCCC2)n1/N=C/c1ccccc1 1874410619 CQIYCTQDGWCMOW-CVKSISIWSA-N 442.991 6.368 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2cccc(C)c2)cc1 1874452651 GNSFJFALRKVBDV-WGOQTCKBSA-N 447.608 5.420 30 10 IKEE CCCCCCOc1ccc(/C=N/n2c(SCCC)nnc2C2CCCC2)cc1OC 1874456678 FUNJYYLZAVXSQX-XIEYBQDHSA-N 444.645 6.288 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccco3)n2/N=C/c2cccnc2)c(Cl)c1 1874468628 QZJHNBSZVGZGKW-FOKLQQMPSA-N 430.320 5.414 30 10 IKEE COCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccccc1Cl 1874473571 LHQCEKAMMNQYOX-MFKUBSTISA-N 436.968 5.448 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(SCc2cccc(C)c2)nnc1C1CCC1 1874493912 KPIGJKOGXPWHOI-JVWAILMASA-N 442.588 6.190 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc(OC)cc1OC 1874507561 JMHCXJGOMCCVGG-YDZHTSKRSA-N 430.961 5.076 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccccc1/C=C/C(=O)c1cccc([N+](=O)[O-])c1 1874569891 JZVLOAOUQOYCOK-BUHFOSPRSA-N 430.460 5.125 30 10 IKEE O=C(/C=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1cccc(Cl)c1 1874577617 XFNIUOMCYBTHEZ-BUHFOSPRSA-N 433.334 7.622 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(Cl)cc(OC)c1OCc1ccccc1F 1874581398 LUAGDKXDJJOSOL-MDZDMXLPSA-N 440.898 6.280 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCc2c(Cl)cccc2Cl)cc1Cl 1874590319 FHKAENGPLWDCEM-PKNBQFBNSA-N 447.745 7.131 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)c1OCc1ccccc1 1874590340 GOFYCSQMMDJQGT-VAWYXSNFSA-N 443.326 6.486 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1OCc1c(F)cccc1Cl 1874594740 ZXDZUCGODPBWDU-WEVVVXLNSA-N 432.825 6.241 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1OCc1cccc(Cl)c1 1874606502 RLGQAFBFXBLIPG-WEVVVXLNSA-N 447.745 7.131 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2Cl)cc1 1874618180 NRVNVJPRVBELET-XYOKQWHBSA-N 433.935 6.179 30 10 IKEE CCOc1c(Br)cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC 1874627181 KTUJDLCDJFZPNR-CMDGGOBGSA-N 447.369 6.193 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(C)cc3)c([N+](=O)[O-])c2)cc1Cl 1874636158 MKZDWHOQWWUJHG-JXMROGBWSA-N 437.879 6.040 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OC(=O)c1cccc([N+](=O)[O-])c1 1874701446 STJWBGLQUAAJLH-DHZHZOJOSA-N 431.444 5.336 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(F)cc2)CSc2nnc(C3CCCC3)n21 1874922026 ADJRNVDGNWDXME-OAQYLSRUSA-N 444.620 6.137 30 10 IKEE Cc1ccccc1CCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1 1875104513 AXEVSXYMXJCODM-RIYZIHGNSA-N 439.338 6.736 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3ccc(C)cc3)cc2)cc1 1875129548 IFAMNVWAHNIKBU-VXLYETTFSA-N 444.527 6.054 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccnc3)c(Br)c2)c(C)c1 1875131489 AIRDFTQESWMUIG-RMKNXTFCSA-N 436.305 5.576 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2Cl)c1 1875131621 GXJJRULFERMSPB-FMIVXFBMSA-N 434.919 6.471 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)c1ccc(C)c(C)c1 1875140209 VQUHOXFPYGNUEF-JLHYYAGUSA-N 428.528 6.434 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3ccccc3)cc2)cc1F 1875151986 CHBSDIPFAZFSDB-RVDMUPIBSA-N 434.463 5.495 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(F)c3)cc2)c1 1875153074 ZRCAPEVBAZVEAV-MDWZMJQESA-N 434.463 5.277 30 10 IKEE C=CCNC(=O)NCCSc1c(-c2ccc(Br)cc2)[nH]c2ccccc12 1891620186 ZJKLHKHTFGETLC-UHFFFAOYSA-N 430.371 5.175 30 10 IKEE CCN(CC)c1cccc(OCC#CCNC(=O)c2cc(C(F)(F)F)ccc2Cl)c1 1891686143 PJDTYLWLXPHWHL-UHFFFAOYSA-N 438.877 5.017 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCCC)c2ccc(Br)c(F)c2)C1 1895095408 PDOGLDWKUFNTFM-KRWDZBQOSA-N 427.358 5.242 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1945525518 PDXIKFMDCUSYFJ-DFQSSKMNSA-N 429.561 5.274 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1sc(NC(=O)OC(C)(C)C)nc1C 1986918431 VWCSTHNFCGHRGY-LJQANCHMSA-N 431.602 5.612 30 10 IKEE C#CC[C@H](C)CN(C)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)CC 1991290108 YGVOEVZIWMXQRL-UNVFRBQDSA-N 446.591 5.058 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)[C@H]1C1CC1 2014664132 HNUKRRMOBOZUCD-NTKDMRAZSA-N 433.593 5.238 30 10 IKEE CC#CCCC[C@H](NCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2018320860 NARKQUHCMKJWLQ-JYFHCDHNSA-N 428.617 5.002 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCC1)[C@H](C#N)[C@@]1(C)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2022145409 RRSUUCQQXMMMFT-HOYKHHGWSA-N 435.609 5.484 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(C)sc(C)c1Br 2028858517 RUPCOQWHYWXRCZ-YOEHRIQHSA-N 429.424 5.085 30 10 IKEE N#C[C@H]1CCCC[C@H]1Nc1cc(Br)c(Br)c(Br)c1 2034337999 BPSDFDDPZQGPLW-PRHODGIISA-N 436.973 5.468 30 10 IKEE C=CCN(CC[C@H](NCC)c1c(C)sc(C)c1Br)C(=O)OC(C)(C)C 2037959794 GCQLOFWXRZKWCC-HNNXBMFYSA-N 431.440 5.591 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@H](NC(=O)OC(C)(C)C)C2(C)C)c1 2066218169 ICRDMPREWMSVPK-MHECFPHRSA-N 445.560 5.022 30 10 IKEE COc1ccc([C@H](n2nc(C3CC3)c(C#N)c2I)C(C)(C)C)c(C)c1 2079874116 ZEVNJWRXPDFEDK-SFHVURJKSA-N 449.336 5.189 30 10 IKEE Cc1ccc([C@@H](n2nc(C(F)F)c(C=NO)c2Br)C2(C)CC2)c(F)c1F 2079956657 KOQVSUPXPLHSLO-CQSZACIVSA-N 434.231 5.367 30 10 IKEE CC1([C@H](c2ccc(C(F)(F)F)c(F)c2)n2nc(C(F)(F)F)c(C(N)=O)c2Cl)CC1 2080053187 RVZGTSTWRFVHRO-LBPRGKRZSA-N 443.750 5.202 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Cl)cc(Br)c1 2081554406 HAHFYOIFDGHUMX-IAGOWNOFSA-N 429.786 5.060 30 10 IKEE C=CC1(C[C@H](NCC)c2cc(Br)ccc2I)CCC1 2111712379 WNJYZQNDSMZRDP-HNNXBMFYSA-N 434.159 5.451 30 10 IKEE N#Cc1ccc(NC[C@@]23CC[C@@H]2CCCN3Cc2ccccc2)c(F)c1Br 2145616989 MOZXBODUKUFREU-AVRDEDQJSA-N 428.349 5.317 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)c(F)c1F 2159121361 SYKMVAHWFVFSCH-CRAIPNDOSA-N 445.348 5.075 30 10 IKEE N#Cc1ccc(NC[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c(F)c1Br 2159218417 WCWDBYZPHMZBNX-LUPIEILUSA-N 428.349 5.315 30 10 IKEE CN(Cc1ccc(CNc2ccc(C#N)cc2Br)cc1)C(=O)OC(C)(C)C 2162334074 IMWNYHCAOJMAMC-UHFFFAOYSA-N 430.346 5.300 30 10 IKEE CCCN(c1cc(Br)cc(F)c1C#N)C1CCN(C(=O)OC(C)(C)C)CC1 2174811976 FMQQQQFSHJHFOX-UHFFFAOYSA-N 440.357 5.076 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 2215216422 HMORRXXOQCUWJV-XMMPIXPASA-N 433.593 5.240 30 10 IKEE C=C(Cl)C[C@@H](NCCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229114573 SESPMYKTEZUHAF-MSOLQXFVSA-N 445.829 5.396 30 10 IKEE C=C1C[C@H]2CC(Nc3ccc(Br)cc3I)C[C@@H](C1)C2 2231662914 ISSKOCGBZNKVJR-ONXXMXGDSA-N 432.143 5.601 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCCC)c2ccc(Br)cc2OC)C1 2239677044 QLTFSFZALRRACY-GOSISDBHSA-N 439.394 5.112 30 10 IKEE CC(C)(C)OC(=O)NC[C@@]1(C)CCC[C@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 2241895605 YWSLFIKHWTYJFY-JWQCQUIFSA-N 443.588 5.401 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Cl)c(NC(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)c1 2247828593 HQSVKMZKTNLGSH-KGLIPLIRSA-N 436.745 5.108 30 10 IKEE C=C1CC(COc2cc(Br)ccc2C(F)(F)F)(NC(=O)OC(C)(C)C)C1 2265362471 CRROVMPLDDESOH-UHFFFAOYSA-N 436.268 5.460 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(F)cc(Br)c1F 2272737328 BYBZWEGMZKELPW-WBVHZDCISA-N 433.337 5.237 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCCCN)c1ccc(Cl)c(Br)c1F 2276532841 NIZVKJWMROFFAR-FQEVSTJZSA-N 442.756 5.421 30 10 IKEE C[C@H]1CCCN(c2c(Br)cccc2C#N)[C@H]1CCCNC(=O)OC(C)(C)C 2285184165 ITDYJRMMECVRHV-YJBOKZPZSA-N 436.394 5.231 30 10 IKEE CCCCN1C(=O)C(=C2Sc3ccccc3N2CC)SC1=Nc1cccc(Cl)c1 2295178664 LDWJTYZMHKQKOY-UHFFFAOYSA-N 444.025 6.504 30 10 IKEE CC(C)(C)OC(=O)N[C@H](CC(=O)C#Cc1ccc(Br)cc1)c1ccccc1 2296277080 OJJAIHSYRUBZNT-HXUWFJFHSA-N 428.326 5.026 30 10 IKEE CN[C@@H](C#Cc1ccc(Br)cc1)C[C@@H](CC(C)(C)C)NC(=O)OC(C)(C)C 2296294153 QRCVBNQRCPFDOE-OALUTQOASA-N 437.422 5.108 30 10 IKEE Cc1cccc(NC=C2C(=O)c3ccccc3N(Cc3ccc(Cl)cc3)S2(=O)=O)c1 2297375506 YKQGSHWYOZVUKB-UHFFFAOYSA-N 438.936 5.135 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc3c2[C@H](c2ccc(F)c(F)c2)CC(=O)O3)C1=O 2297591696 WAORZBROFWIQDM-INIZCTEOSA-N 434.394 5.031 30 10 IKEE COc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)C1CCCCC1 2314429619 KZSDHGQELGKFPC-UHFFFAOYSA-N 440.539 6.744 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=Nc1cccc(C)n1 2314539947 FKLIVAPXALQYSF-UHFFFAOYSA-N 446.488 5.348 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1c(C)[nH]c2ccccc12 2318571632 OTDPLQJQBCBWJC-UHFFFAOYSA-N 439.588 6.348 30 10 IKEE C=CC[C@H]1COC[C@@H]1NCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2321085114 OUPOOPSFWVQRCT-UIOOFZCWSA-N 429.560 5.525 30 10 IKEE CC(C)[C@@H]1C[C@](C#N)(Nc2cccc(Br)c2)CN1C(=O)OCc1ccccc1 2321365170 MRTBSUNEFBWYDE-RBBKRZOGSA-N 442.357 5.190 30 10 IKEE Cc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccccc2Cl)C4)cc1 2321958462 HTKCHBBXGXWFRY-UHFFFAOYSA-N 431.919 5.925 30 10 IKEE O=C1C(=Cc2ccccc2Cl)Oc2c1ccc1c2CN(CCOc2ccccc2)CO1 2322038070 OSZXHWRSSYHYQE-UHFFFAOYSA-N 433.891 5.187 30 10 IKEE CCCCOCCCN1COc2ccc3c(c2C1)OC(=Cc1ccccc1OCC)C3=O 2322143571 JXGKLDSRMXRXHQ-UHFFFAOYSA-N 437.536 5.060 30 10 IKEE CCCCOCCCN1COc2ccc3c(c2C1)OC(=Cc1cn(C)c2ccccc12)C3=O 2322145510 AYXYLVCAVHPTGH-UHFFFAOYSA-N 446.547 5.153 30 10 IKEE Sc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccc(Cl)c(Cl)c1 2322238519 LUMHFNVHGZBPQD-UHFFFAOYSA-N 441.771 5.421 30 10 IKEE CCc1ccc(C(=O)C=Cc2c(OCC(=O)NCc3ccco3)ccc3ccccc23)cc1 2322353687 NAEVJHFLTZAIEA-UHFFFAOYSA-N 439.511 5.587 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1ccc(F)cc1)c1ccc(Cl)cc1Cl 2322391068 UBROAPSLMZSVRZ-UHFFFAOYSA-N 435.709 7.261 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2c(C)cccc2C)cc1 2322605067 DGLAQXYPGIBHNF-UHFFFAOYSA-N 443.543 6.006 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cccc(OC)c1OCc1ccccc1F 2322926572 YCLPXEZGLUZKBE-UHFFFAOYSA-N 440.898 6.280 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OCC(=O)N[C@@H](C)c3ccccc3)c2)cc1 2323076283 ADXZTPXMSGLNPC-QFIPXVFZSA-N 441.571 6.182 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3cccc(C)c3C)c2)cc1F 2323202117 FZJNVQABKFCYRW-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE COc1cc(C=NNc2nc3ccc(C)cc3[nH]2)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 2323202321 FJJRXZAIFZVKKR-UHFFFAOYSA-N 445.479 5.122 30 10 IKEE Cc1cc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(F)cc2)C3=O)ccc1[N+](=O)[O-] 2323279650 NSWZDWLTHSGECA-UHFFFAOYSA-N 433.391 5.186 30 10 IKEE CCCOC(=O)COc1c(OC)cc(C=CC(=O)c2ccc3ccccc3c2)cc1OC 2323395782 JUXPIMUIBXQTFC-UHFFFAOYSA-N 434.488 5.085 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)C=Cc4ccc([N+](=O)[O-])cc4)cc(C)c3C2=O)cc1 2323595522 FNCIINDTGFJGNG-UHFFFAOYSA-N 441.439 5.447 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OCC(=O)Nc1ccccc1C 2323743399 UAFHVNBGYBNVQX-UHFFFAOYSA-N 437.442 5.195 30 10 IKEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2[N+](=O)[O-])o1 2323791157 VJJUPKAOZGHBOS-UHFFFAOYSA-N 441.823 5.103 30 10 IKEE CC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2Cl)C3=O)c1 2323900588 JCIOFOJPUGSTRV-UHFFFAOYSA-N 448.858 5.409 30 10 IKEE C[C@@H]1CCCCN1Cc1c(O)ccc2c1OC(=Cc1ccccc1Br)C2=O 2324010265 PXSJUPDTQGYUAN-CQSZACIVSA-N 428.326 5.145 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cc(Br)c(OC)c(OC)c1 2324233671 CMNPLGCWOGGLFC-UHFFFAOYSA-N 433.342 5.669 30 10 IKEE Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2cccc(F)c2)C3=O)c(C)c1 2324331549 HEBHLTJASUWVPC-SFHVURJKSA-N 445.490 5.773 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2cccs2)C3=O)cc1Cl 2324352089 HXDBVHLFIYZOJU-CQSZACIVSA-N 439.920 5.732 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2cccc(C)c2)C3=O)cc1 2324454248 UARAHOXQOCKBAU-SFHVURJKSA-N 443.499 5.334 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4cccc(C)c4C)cc(C)c3C2=O)o1 2324505469 KQTAIPPPLAHBDA-SFHVURJKSA-N 431.488 5.535 30 10 IKEE Cc1cc(OCc2ccc(C(=O)OC(C)C)cc2)cc2c1C(=O)C(=Cc1ccc(F)cc1)O2 2324605377 UICHZUAWGYVXRQ-UHFFFAOYSA-N 446.474 5.895 30 10 IKEE COc1ccc(OCCCOc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2324703972 FATOKTATQYDPDL-UHFFFAOYSA-N 436.891 5.813 30 10 IKEE Cc1c(Cl)cccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccccc1)C2=O 2325055534 OUEPAAHYYCQWOF-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE CC(C)CCOC(=O)CCOc1ccc2c(c1)OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2325103479 FVSJDZXYDAAXMH-UHFFFAOYSA-N 436.548 5.959 30 10 IKEE CCCCCCCCCOc1ccc2c(c1C)OC(=Cc1ccc(Cl)cc1Cl)C2=O 2325196003 QTOPPHHYAWLNLB-UHFFFAOYSA-N 447.402 8.047 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OCC(=O)Nc3ccc(Cl)cc3)cc(C)c2C1=O 2325513701 IPSSZAAVDNRDJV-UHFFFAOYSA-N 439.920 5.652 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OCC(=O)Nc3ccc(F)c(F)c3F)ccc2C1=O 2325532119 LHONLGPWUXKRAI-UHFFFAOYSA-N 445.418 5.108 30 10 IKEE CCn1cc(C=C2Oc3cc(OCCc4ccc(OC)cc4)ccc3C2=O)c2ccccc21 2325631533 QOGSCZXWMRHFIJ-UHFFFAOYSA-N 439.511 5.908 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1OC(=O)CC1CCCCC1 2325690258 BNDXUBXFEDHNQO-UHFFFAOYSA-N 428.528 6.620 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)c1 2325721359 ORDYYSOXBORPPQ-UHFFFAOYSA-N 442.515 5.003 30 10 IKEE CCc1ccc(CCC(=O)Oc2cc(C=CC(=O)c3ccc(C)cc3C)ccc2OC)cc1 2325735642 VYBKIAJGAKRFEP-UHFFFAOYSA-N 442.555 6.309 30 10 IKEE Cc1c(OCC(=O)Nc2ccccc2F)ccc2c1OC(=Cc1ccc(C(C)C)cc1)C2=O 2325739444 NKLGOZHJYNYSAM-UHFFFAOYSA-N 445.490 5.891 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1cn(C)c2ccccc12 2326458310 RUNUBMYCSMPXAV-UHFFFAOYSA-N 431.609 5.904 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2C)n1N=Cc1c[nH]c2ccccc12 2327117233 YGLKLNZVPWFTIU-UHFFFAOYSA-N 433.581 5.464 30 10 IKEE C=CCSc1nnc(CCc2cccc(OC)c2)n1N=Cc1ccc(Cl)c(Cl)c1 2328652956 ULRYRWFQQXRUIQ-UHFFFAOYSA-N 447.391 5.539 30 10 IKEE CCSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1ccc(C(F)(F)F)cc1 2328939827 VCQHJSGNMXLYRG-UHFFFAOYSA-N 432.515 5.693 30 10 IKEE C=CCSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2329436446 ALPVHJXHJKXQDF-UHFFFAOYSA-N 441.944 5.208 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccc(F)cc2)n1N=Cc1cccc(F)c1 2329473254 VNPWILQWFKUGRH-UHFFFAOYSA-N 448.542 5.824 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2C)n1N=Cc1ccc(C(C)(C)C)cc1 2329485088 RSKSWKLWFQPGAD-UHFFFAOYSA-N 432.637 6.220 30 10 IKEE CCc1ccc(C=Nn2c(Cc3ccccc3F)nnc2SCc2ccccc2)cc1 2329740977 YUARNGWLKWKLFP-UHFFFAOYSA-N 430.552 5.745 30 10 IKEE Fc1cccc(C=Nn2c(CCc3ccccc3)nnc2SCCc2ccccc2)c1 2330197123 WMAONHMDHXEQPF-UHFFFAOYSA-N 430.552 5.419 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)CC 2330589418 MRPQJSJWEIDQIY-RDPSFJRHSA-N 445.604 5.396 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2-c2ccccc2)cc1 2330684916 ISRNDXKYYOTHBT-UHFFFAOYSA-N 448.979 6.172 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1sccc1C 2330705072 SMJFONHTLYDWKI-UHFFFAOYSA-N 432.541 6.059 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)cc1 2330742372 UHTRJMINESGXHX-UHFFFAOYSA-N 428.572 6.657 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)cc(Br)c1OC(=O)C1CC1 2330765747 ZJHQFKLGNGEADN-UHFFFAOYSA-N 443.337 5.622 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3cccnc3)c(OC)c2)cc1 2330824241 MPIUZSSOSNAGBG-UHFFFAOYSA-N 449.934 6.202 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1sccc1C 2331039567 RPDNNPNLSVMBRN-UHFFFAOYSA-N 437.473 5.479 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)Cc2ccc(C)c(C)c2)c(Cl)c1 2331358497 DSGPSNREBAMWHW-UHFFFAOYSA-N 448.946 6.318 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)cc(Cl)c1OC(=O)C1CCCC1 2331364121 LEENALVWMCXRLQ-UHFFFAOYSA-N 442.939 6.047 30 10 IKEE Cc1cccc(C=Nn2c(CC(C)C)nnc2SCC(=O)Nc2cc(C)cc(C)c2)c1 2331440197 NGWCYEOSVVAOFI-UHFFFAOYSA-N 435.597 5.015 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)c(C)c3)c(OC)c2)cc1F 2331467331 DPROSNIHYQHHLX-UHFFFAOYSA-N 448.490 5.504 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)Cc1ccccc1F 2331502864 CTPULSLBAZATDD-UHFFFAOYSA-N 446.518 6.392 30 10 IKEE Oc1ccc(Cl)cc1C=Nn1c(SCc2ccc(Cl)cc2)nnc1C1CCC1 2331539660 DFGRYBGNCCAUFW-UHFFFAOYSA-N 433.364 5.733 30 10 IKEE COCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccccc1Cl 2331618333 OZHLWVUTWBDUPH-UHFFFAOYSA-N 425.316 5.045 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1OC(=O)CCOC 2331649142 GKUFNVPUAWUJFS-UHFFFAOYSA-N 444.955 5.810 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)C=Cc2ccc(Cl)cc2)n(-c2ccc(C)cc2)n1 2331660208 UZDGBKYWBCTIQP-UHFFFAOYSA-N 433.943 5.059 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2cc(Cl)c(OC(=O)CC)c(OC)c2)c1 2331673635 HDMLNWJQYZISLV-UHFFFAOYSA-N 432.900 5.358 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3c(C)cc(C)cc3C)cc2)c1 2331764141 DSIIVCAPECRLEW-UHFFFAOYSA-N 442.555 6.581 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3cc(Cl)ccc3Cl)cc2)c1 2331859775 DQAKBLJCGSBUCF-UHFFFAOYSA-N 441.310 6.507 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(C(C)(C)C)cc2)cc1 2331875079 HWZKBKLADHRHQA-UHFFFAOYSA-N 448.946 6.761 30 10 IKEE CC[C@H](C)[C@H](COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339578289 FCHGBUTWATYSAF-YFOSEYIMSA-N 446.397 5.044 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1ccc2c(c1)O/C(=C/c1ccc(C(C)C)cc1)C2=O 2098392 PBXOTQWYLMQFLF-ZVHZXABRSA-N 444.483 5.663 30 10 IKEE COc1cc(Br)cc(/C=N/c2ccc(-c3nc4c(C)cccc4o3)cc2)c1O 3114099 LZOGAVUMPUSEMR-WYMPLXKRSA-N 437.293 6.031 30 10 IKEE CCc1cccc(CC)c1NC(=S)N/N=C/c1cccn1Cc1cccc(Cl)c1 3587303 KVGWDXFWLBLGOY-MFKUBSTISA-N 425.001 5.635 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(F)ccc2F)cc1 21239732 QQMCVWVSURYBHU-CRYYWNKWSA-N 446.497 6.343 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3cc(OCc4c(Cl)cccc4Cl)ccc3C2=O)cc1 39754063 HLRYHIRDNYZGBE-MSXFZWOLSA-N 439.338 7.312 30 10 IKEE COc1cc(/C=C2/S/C(=N\c3cccc(Cl)c3Cl)NC2=O)ccc1OC(C)C 59566963 HIMFTVUAQNQQGX-LICLKQGHSA-N 437.348 5.681 30 10 IKEE CCCCCCn1c2ccccc2c2nnc(N/N=C/c3ccc(C(C)(C)C)cc3)nc21 64981299 MRYZWUXNNQEQIY-OVVQPSECSA-N 428.584 6.303 30 10 IKEE Cc1ccc(Oc2ccc(NC(=O)C3CCN(/C=C\C(=O)C(F)(F)F)CC3)cc2)cc1 96654246 YDXBKJUYNZEAEG-QINSGFPZSA-N 432.442 5.083 30 10 IKEE CCCCCCCOc1ccc(CNc2ccc(OCCOc3ccccc3)cc2)cc1 100034339 JKKVKYWHZOGFRQ-UHFFFAOYSA-N 433.592 7.106 30 10 IKEE COc1ccc(Cl)cc1/C=C1/S/C(=N\c2ccccc2)N(C2CCCCC2)C1=O 100288597 NUOJNZDPURANQI-DBSKITMISA-N 426.969 6.285 30 10 IKEE CCCCCCCCCCCn1c([C@H]2CC(=O)N(c3ccccc3)C2)nc2ccccc21 102198822 ZNDRCYDTSAEPHB-QHCPKHFHSA-N 431.624 7.088 30 10 IKEE CCCCCCCCC(=O)Nc1cccc([C@@H]2NC(=O)N(CCC)C(C)=C2C(=O)OC)c1 102996721 GOUUSDDDVPVJFL-QHCPKHFHSA-N 443.588 5.299 30 10 IKEE Cc1ccc(Cl)cc1N/C=C1/C(=O)c2ccccc2N(Cc2ccccc2)S1(=O)=O 103165233 DVKRFLKWEPFIRQ-HMAPJEAMSA-N 438.936 5.135 30 10 IKEE Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc[nH]/c1=N\c1cccc(F)c1 110482149 JTGQAAGSRGKPRJ-UHFFFAOYSA-N 439.450 5.006 30 10 IKEE CCCCCCCCCCCCNCCN(CCN)CCCCCCCCCCCC 111900010 USEFLVZSSJSALE-UHFFFAOYSA-N 439.817 7.679 30 10 IKEE CCCCCOc1ccc(/C=N\n2c(S)nnc2Cc2cccs2)cc1OCC 169913987 LXMYXCPKUXDIHY-JCMHNJIXSA-N 430.599 5.069 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2cccc(C)c2)cc1 169923041 KVZHYGSSKVMFGU-AREMUKBSSA-N 449.506 5.940 30 10 IKEE CCCOc1cc([C@H]2NC(=S)N(CCC)C(C)=C2C(=O)c2ccccc2)ccc1OC 169928806 JIPHEYNKGOAGCR-HSZRJFAPSA-N 438.593 5.282 30 10 IKEE CCOc1c(OC)cc(/C=N\Nc2nc(-c3c(C)cc(C)cc3C)cs2)cc1[N+](=O)[O-] 169941275 WGHJLYIFTPQHFD-KSEXSDGBSA-N 440.525 5.497 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccccn2)c1 169991802 KLOQNLWFLSKXGK-DEOSSOPVSA-N 426.516 5.605 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccnc2)cc1 170002671 APPCAFIKGMZPNQ-XMMPIXPASA-N 438.483 5.734 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)C)cc2)[C@H]1c1ccncc1 170016639 BRTJQEHKRGBWEN-DEOSSOPVSA-N 442.515 5.305 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 170066326 LFTVRFFIPZEPMW-CYFREDJKSA-N 444.531 5.049 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(C(C)(C)C)cc1 170150142 OTQHKPGRCNGLME-DEOSSOPVSA-N 427.544 6.126 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccs2)cc1C 170161618 WWMHYXWRNRDZEQ-QFIPXVFZSA-N 433.529 5.547 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(Cl)cc3C)C(=O)N(c3ccc(C#N)cc3)C2=O)c(C)c1 170176234 ZWEHBMMPFJSMMI-UHFFFAOYSA-N 441.918 5.534 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccccc2)cc1 170224858 JZNATHJYKZSMIG-RUZDIDTESA-N 439.511 5.357 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccccc2)cc1C 170225231 ZGJAXTVLIJHLOH-VWLOTQADSA-N 441.527 5.874 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(CC)cc2)cc1C 170266706 XZHJMTUCHIEMCG-VWLOTQADSA-N 447.575 5.867 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccco2)c1 170285684 VBQVPOWBHWUTRO-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccc(C)o2)c1 170300273 BBVWKNJCSYIOFB-QHCPKHFHSA-N 431.488 5.468 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2nc3c(F)cc(F)cc3s2)[C@@H]1c1cccs1 170477216 RLZLKZJJZYDMNT-QGZVFWFLSA-N 434.489 5.151 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(OC)c3ccccc23)SC1=Nc1ccc(C(=O)OC)cc1 254397290 CAQOZZZQCNHEAC-XKEFNESHSA-N 446.528 5.259 30 10 IKEE O=C(Nc1sc(NN=Cc2ccc(O)cc2)nc1-c1ccccc1)c1ccc(F)cc1 254509005 GOLFEMRQFDLCAE-UHFFFAOYSA-N 432.480 5.353 30 10 IKEE Fc1c(F)c(F)c(NN=Cc2cccc(OCc3cccc4ccccc34)c2)c(F)c1F 254516786 GIFGRDQITJPSOR-UHFFFAOYSA-N 442.387 6.560 30 10 IKEE C(=NN=C(c1ccccc1)c1ccccc1)c1cn(-c2cccs2)nc1-c1ccccc1 254744096 OXZIUAAZCYCKAK-UHFFFAOYSA-N 432.552 6.472 30 10 IKEE C=CCN(C[C@@H](Cc1ccc(Br)cc1Cl)NCCC)C(=O)OC(C)(C)C 406262367 JSCHFBKICPJLBW-QGZVFWFLSA-N 445.829 5.436 30 10 IKEE COc1c(Cl)cc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccco2)cc1Cl 526521325 LRMHSLZCLBSJRE-LJQANCHMSA-N 441.270 5.524 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccc(C)c2)c1 526605858 USLCVMUYIJIBNM-SANMLTNESA-N 438.527 6.103 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(N(C)C)cc1 526707065 CSNIVMNOHPLTPD-QHCPKHFHSA-N 446.934 5.497 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccc(C(F)(F)F)cc1 526807229 OXWSYWURDOZPKK-ROTLSHHCSA-N 438.906 6.077 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1ccc(O)c(Br)c1 526807868 IBLPGOHJLWUNAA-UUYOSTAYSA-N 445.386 5.182 30 10 IKEE CCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1cccc(C(F)(F)F)c1 526823136 RBJATHBFUCVKRJ-ZMFRSBBQSA-N 429.471 5.296 30 10 IKEE Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC(COCc2ccc(C#N)cc2)CC1 585222328 YHRLDFXINBNRKZ-UHFFFAOYSA-N 449.938 5.244 30 10 IKEE C=CCN(CC=C)C(=O)Nc1cccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)c1 586673736 YZZCGQSNTMJXGE-UHFFFAOYSA-N 432.568 5.381 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)C1(C#N)CCC(C2CCC2)CC1 698454635 XKRWAZXQGFATFG-UHFFFAOYSA-N 433.390 6.443 30 10 IKEE Cc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)c(C)c1Br 719633870 PGBDVFWXRKJIIP-GOSISDBHSA-N 449.776 6.726 30 10 IKEE Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C/C(=O)c1ccc(C(F)(F)F)nc1O 731564984 XAYBWVRMXDANDH-SOFGYWHQSA-N 439.796 5.048 30 10 IKEE C=C(C)[C@@H]1CC[C@]2(CO)CC[C@@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@@H]12 1565535297 FVWJYYTZTCVBKE-LAJOGJTASA-N 442.728 6.997 30 10 IKEE Cc1ccc([C@H]2[CH]c3ccccc3O/C2=N/N=C2\SCC(=O)N2c2ccccc2)cc1 1614735653 SFSQTVYEAGZSDF-DLJCVGCESA-N 426.521 5.173 30 10 IKEE COc1cccc(/C(C)=C2\SC(=Nc3nc(C)cs3)N(C3CCCCC3)C2=O)c1 1772735911 HRXUUSVLSBSLRZ-XUAJVFRHSA-N 427.595 5.787 30 10 IKEE Cc1c(N=Nc2ccc(N=Nc3ccccc3)cc2)c(O)n(Cc2cccnc2)c(=O)c1C#N 1772740728 DXMQYACZDKPNCK-UHFFFAOYSA-N 449.474 6.008 30 10 IKEE CCCCCCCCNC(=O)[C@H](CC)NC(=O)c1ccc(OCCCC)c(OCC)c1 1861749634 RBNXTCJMPPLEDF-NRFANRHFSA-N 434.621 5.249 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1cccc2ccccc12 1862404310 AECPUYRUCLYPPH-RUZDIDTESA-N 443.543 5.925 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc([N+](=O)[O-])cc1 1862436357 QXUYHJAJMBLAFH-LJQANCHMSA-N 428.872 5.017 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1 1862450540 KCPAAIPTFGYQRE-IBGZPJMESA-N 449.856 5.880 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccccc2C)ccc1F 1862507965 VWBIHRFZQJWTGT-KOSHJBKYSA-N 429.491 5.782 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2c(F)cccc2Cl)cc1 1862518581 NMZBPBSJTFDAKD-HXUWFJFHSA-N 431.891 5.256 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2c(F)cccc2Cl)cc1 1862531425 NMHPGFIJWOYNDA-OAQYLSRUSA-N 427.903 5.562 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCCCc2ccccc2)c1 1862589865 VUASXJVGSLMVHU-VWLOTQADSA-N 441.527 5.302 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccccc2F)cc1F 1862639210 TUMSDWVTRZOHMX-CMJOXMDJSA-N 449.453 5.313 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@H](C)c2ccccc2)c1 1862676787 RBEREMRGFLGMDV-MZNJEOGPSA-N 445.490 5.564 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)cc1 1862678839 SPTOXYGHKQRLBN-VXWZWFMZSA-N 435.539 6.106 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1 1862713278 LLAVXUYGSCBSGJ-AHWVRZQESA-N 441.571 6.777 30 10 IKEE C=CCN1C(=O)C(Nc2cc(C(F)(F)F)ccc2Cl)=C(c2ccc(F)c(C)c2)C1=O 1863467018 CFFAWENRFWDXMZ-UHFFFAOYSA-N 438.808 5.184 30 10 IKEE C[C@H]1COCCN1c1cc(Nc2ccccc2C#N)nc(-c2ccc(C(C)(C)C)cc2)n1 1868549728 JWVPHALJNWGPQR-SFHVURJKSA-N 427.552 5.281 30 10 IKEE CCCCCCCCC(=O)N1CC(Oc2ccc(C(=O)Nc3ccc(C)cc3C)cc2)C1 1869902204 DHDNPJGBWRQDII-UHFFFAOYSA-N 436.596 5.896 30 10 IKEE Cc1cc(C)c(Cn2nnc(C#N)c2NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c(C)c1 1870106695 UCFWVNJELUPEAP-FMIVXFBMSA-N 427.552 5.073 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)OC(C)C)c(=O)cc1CN(CC)CC 1870482849 XKUZBCCIPHSVGP-UHFFFAOYSA-N 436.637 5.161 30 10 IKEE CCCCCCCOc1cn(Cc2cccnc2)c(CNc2ccc(C(C)C)cc2)cc1=O 1870830088 BGZOYOVRWILPKM-UHFFFAOYSA-N 447.623 6.376 30 10 IKEE CCCCCCCOc1cn(CCOC)c(CNc2ccc(N(CC)CC)cc2)cc1=O 1870831489 AFBLPLWSBVSVEO-UHFFFAOYSA-N 443.632 5.302 30 10 IKEE CCCCCCCOc1cn(C[C@H](C)O)c(CNc2ccc(C(C)(C)C)cc2)cc1=O 1870836590 NJNHSAVYMIZNNF-FQEVSTJZSA-N 428.617 5.488 30 10 IKEE C=CCn1cc(OCc2cccc3ccccc23)c(=O)cc1CNc1cccc(Cl)c1 1870918513 HQUKZPSAYGFZKH-UHFFFAOYSA-N 430.935 6.032 30 10 IKEE COc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3cc(C)ccc3C)C4)C2=O)cc1 1871355881 LCMOZSKHMUUHPC-ROTLSHHCSA-N 441.527 5.589 30 10 IKEE Cc1cccc(CN2COc3c(cc4c(c3C)O/C(=C\c3ccc5c(c3)OCO5)C4=O)C2)c1 1871358859 DKXRADKLFQCXJT-VROXFSQNSA-N 441.483 5.000 30 10 IKEE CC(C)=C1Oc2cc(OC(=O)/C=C/c3ccc(OCc4ccccc4)cc3)ccc2C1=O 1871365267 RQLJJWHFDMEOJQ-XNTDXEJSSA-N 426.468 5.753 30 10 IKEE O=C1/C(=C/c2c(F)cccc2Cl)Oc2cc(OC(=O)c3c(F)cccc3Cl)ccc21 1871375267 CBGYAADUWLPOQR-GRSHGNNSSA-N 447.220 6.107 30 10 IKEE O=C(/C=C/c1ccc(Cl)cc1Cl)Oc1ccc2c(c1)O/C(=C\c1ccncc1)C2=O 1871378312 GBTNTWPVFXPBGJ-HEEWXBEZSA-N 438.266 5.623 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc(C(C)C)cc4)ccc3C2=O)cc1 1871380420 NJUOUOHEJBBOIN-SKOGZAMYSA-N 440.495 6.054 30 10 IKEE CCCCOc1cc(C)c2c(c1)O/C(=C\c1cc(Br)cc3c1OCOC3)C2=O 1871399561 OJWUASTWAYTSBT-OCKHKDLRSA-N 445.309 5.419 30 10 IKEE CCCCOC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(N(CC)CC)cc1)C2=O 1871400851 MYKGWGYDOQWNSC-KQWNVCNZSA-N 437.536 5.180 30 10 IKEE Cc1cc(OCCCCOc2ccccc2)cc2c1C(=O)/C(=C/c1ccc3c(c1)OCO3)O2 1871403610 PKRZGFUYVPVWSO-MYYYXRDXSA-N 444.483 5.578 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCCCCOc4ccc(C)cc4)cc(C)c3C2=O)cc1 1871405462 RXWXVTDBOHTDFK-IMRQLAEWSA-N 442.555 6.720 30 10 IKEE COC(=O)c1ccc(/C=C2\Oc3cc(OCCOc4cccc(C)c4)cc(C)c3C2=O)cc1 1871405987 FNKOSKMOBXNQIA-IWIPYMOSSA-N 444.483 5.164 30 10 IKEE C[C@@H](Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O)C(=O)Nc1ccccc1Cl 1871407709 YVDRWNYMHHNGDI-JCRYTKJOSA-N 437.854 5.501 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccc(C)cc4)ccc3C2=O)cc1 1871408039 PJNIMFMXTVDFPV-AOBKZXEFSA-N 443.499 5.416 30 10 IKEE Cc1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccc(F)cc2)C3=O)c1C 1871414049 RBXHMUKTYIPFID-SMNNTEATSA-N 445.490 5.773 30 10 IKEE COc1ccc(-c2c(C)c3cc(OCc4ccccc4C#N)ccc3oc2=O)cc1OC 1871436895 ASOPCVDHXKEZEY-UHFFFAOYSA-N 427.456 5.236 30 10 IKEE Cc1cc(OCC(=O)Nc2cccc3ccccc23)cc2c1C(=O)/C(=C/c1ccco1)O2 1871452322 FJVNLUWETCBDMI-QRVIBDJDSA-N 425.440 5.375 30 10 IKEE Cc1ccccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O 1871453788 RFXMBOUVUMDYIL-UUYOSTAYSA-N 433.891 5.591 30 10 IKEE Cc1ccc2oc(=O)cc(COc3cc(C)c4c(c3)O/C(=C\c3ccc(F)cc3)C4=O)c2c1 1871460387 KKELDRDZNMPGTL-MYKKPKGFSA-N 442.442 5.744 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(C)cc2)[nH]c(N(C)Cc2ccccc2)n1 1871476447 PKVGMKGDOCPXGT-UHFFFAOYSA-N 432.616 5.754 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)c(C)c1 1871895417 SHLYPZCOBFAMBV-XMMPIXPASA-N 442.625 5.294 30 10 IKEE COc1cc(OC)cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Br)cc3)cs2)c1 1872765258 KZSNMDFHDZSAIW-QGZVFWFLSA-N 443.322 5.080 30 10 IKEE N#C[C@@H](C(=O)c1ccc(Cl)s1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872779109 BRSAYDMSDFPTMV-KRWDZBQOSA-N 436.945 6.807 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)C(Cl)(Cl)Cl)n2)cc1C(C)C 1872779208 DSPGITRZMYJWHG-ZDUSSCGKSA-N 431.772 5.797 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@@H](C#N)C(=O)c3ccnc(Cl)c3)n2)c1 1872780153 BKOAOMNIDPSDHY-INIZCTEOSA-N 427.913 5.146 30 10 IKEE CC[C@H](C)OC(=O)c1ccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1 1872847535 PRIAITZNXPDSNT-SFHVURJKSA-N 428.488 5.345 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCC2=CCCCC2)=C(c2ccccc2)C1=O 1873160011 SEEGDPJFXSLLRB-UHFFFAOYSA-N 436.640 6.387 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2C(F)(F)F)=C(c2c(Cl)cccc2Cl)C1=O 1873289216 BKHSYEGRJPTFLH-UHFFFAOYSA-N 441.236 5.390 30 10 IKEE COc1cccc(/C=N/Nc2oc(-c3cccs3)nc2C#N)c1OCc1ccccc1 1873462323 ZKACCGSBIVZUFA-AFUMVMLFSA-N 430.489 5.308 30 10 IKEE CCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccc(C(F)(F)F)cc1 1874254701 PRTUFIUFDFRSBY-RPPGKUMJSA-N 448.514 5.795 30 10 IKEE CSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874262881 VLXHCFSLPHXSIN-AUEPDCJTSA-N 426.851 5.133 30 10 IKEE Cc1cccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccc(O)cc2)c1C 1874323233 FPCQUVQPAFUAMH-CVKSISIWSA-N 444.560 5.354 30 10 IKEE Cc1ccc(/C=N/n2c(Cc3ccc(Cl)cc3)nnc2SCCc2ccccc2)cc1 1874342839 LDMLZTHTVUPMRX-OVVQPSECSA-N 447.007 6.048 30 10 IKEE CC(C)c1ccc(/C=N/n2c(Cc3ccc(Cl)cc3)nnc2SCCCO)cc1 1874343314 KREFQOPYWXMQMR-BUVRLJJBSA-N 428.989 5.002 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2/N=C/c2cccc(O)c2)cc1 1874356088 RACLYFMMLXRRMY-JVWAILMASA-N 442.588 5.674 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3F)n2/N=C/c2ccccc2O)c1 1874375622 FSHPINCWAZGQDK-JFLMPSFJSA-N 446.551 5.505 30 10 IKEE Clc1ccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccccn2)cc1 1874408775 PEALIXNFHJIGLP-MFKUBSTISA-N 425.989 5.624 30 10 IKEE COc1cccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2cc(C)ccc2C)c1 1874417112 YVMAPHMPLBGLNU-WPWMEQJKSA-N 442.588 5.669 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCCc2ccccc2)nnc1-c1ccccc1 1874428317 CVOJZLDDRPGCLO-NHFJDJAPSA-N 442.588 5.951 30 10 IKEE COc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccc(C)cc2)c(OC)c1 1874435799 XYRYIOCTFPDSMJ-MFKUBSTISA-N 438.597 5.367 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCCC3)n2/N=C/c2ccccc2Cl)c1 1874455672 DXYRMHLMEYCZQF-AFUMVMLFSA-N 425.001 6.380 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1cccc(OC)c1 1874480826 LJMVQMWTDDCYIC-ZMOGYAJESA-N 432.952 5.596 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874487169 COJLBUQDUZFDQG-FOKLQQMPSA-N 447.923 5.352 30 10 IKEE Cc1cccc(CSc2nnc(CC(C)C)n2/N=C/c2c(Cl)cccc2Cl)c1 1874489557 XRBRIWSTUUYWRE-WYMPLXKRSA-N 433.408 6.266 30 10 IKEE CC(C)Cc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874491755 HWMABRYRGGWANI-FOKLQQMPSA-N 447.923 5.352 30 10 IKEE Cc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2ccc(Cl)cc2Cl)cc1 1874492234 FJNNRAIGYQXOEJ-WYMPLXKRSA-N 433.408 6.266 30 10 IKEE Cc1ccsc1/C=N/n1c(SCc2c(Cl)cccc2Cl)nnc1C1CCC1 1874496914 KVZLTDJEXUPJJS-LSHDLFTRSA-N 437.421 6.397 30 10 IKEE COCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1cccc(Cl)c1 1874506372 ZOFJAASWSBVQEA-LSFURLLWSA-N 441.771 5.559 30 10 IKEE CC(C)c1nnc(SCc2ccccc2)n1/N=C/c1cc(Br)ccc1O 1874513711 MCCSTDBGTIMHMS-SRZZPIQSSA-N 431.359 5.044 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)cc2)c1 1874572292 GERJUKHSYSTIJH-XYOKQWHBSA-N 435.907 5.571 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)N[C@H](C)c2ccccc2)cc1 1874572824 HUNIDQRZXLWSIZ-OCKXMSAZSA-N 447.962 6.055 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1 1874581985 QBEYVGOFEUKLGM-ISLYRVAYSA-N 438.542 7.752 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1 1874602804 FNAWASBZHSEJNH-RVDMUPIBSA-N 445.515 5.180 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OCc3ccccc3)c(Br)c2)ccc1F 1874618739 QOXIIRONECYHPT-YRNVUSSQSA-N 425.297 6.372 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OCc3cccc(C)c3)c([N+](=O)[O-])c2)c1 1874619270 RYSYXMUWTVAILI-JXMROGBWSA-N 433.460 5.396 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CC(C)C 1874663574 QBMZYHQSYANTAJ-XMMPIXPASA-N 427.633 5.498 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc4ccccc4c3)c2)cc1 1874692576 NKNLHISJDMPDQL-CXUHLZMHSA-N 436.463 5.880 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1OC(=O)Cc1ccc(C)cc1 1874692795 XNVOLZJMHOJWIC-RVDMUPIBSA-N 436.507 6.201 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cccc(Cl)c3)c2)cc1 1874695443 BCRNQBQLVLKFCR-RVDMUPIBSA-N 448.946 6.807 30 10 IKEE COc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc(OC)c(C)c3)ccc2OC)cc1 1874696010 DMVHGKZTWRUICC-LFYBBSHMSA-N 432.472 5.136 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2cccc(/C=C/C(=O)c3ccccc3Cl)c2)c1 1874697287 ZEWPXTFFTYGKEB-ZRDIBKRKSA-N 436.891 5.401 30 10 IKEE COc1cccc(CCC(=O)Oc2cc(/C=C/C(=O)c3ccc(F)c(C)c3)ccc2OC)c1 1874704043 UKMBLMSMRACSIW-KPKJPENVSA-N 448.490 5.586 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1OC(=O)[C@H](C)c1ccccc1 1874707591 MFSVJEMJAVNKOF-VGMNTSGFSA-N 430.456 5.029 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccccc2[N+](=O)[O-])c1 1874718794 WSLRDGVZFPHLLO-PKNBQFBNSA-N 437.835 5.372 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3ccccc3Cl)cc2)cc1 1875100047 LJDHTEQSEMQLJF-QGOAFFKASA-N 448.946 6.563 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(OC)c1OC(=O)CCCCCC 1875104394 VFKGHLMMNMCCQG-FOCLMDBBSA-N 436.548 6.204 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)c1[nH]c2ccc(C)cc2c1C 1875129111 LMVSIHSZZHTSFP-JLHYYAGUSA-N 425.484 5.909 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OC)cc3)c(Cl)c2)cc1 1875129635 MHXJJWAFEYGSFK-LNKIKWGQSA-N 436.891 5.863 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC3CCCCC3)c(Br)c2)cc1 1875133088 DNINYXOSQLCHMV-UKTHLTGXSA-N 441.365 6.529 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)c1cccnc1 1875133730 IYYYUMAVMBAUFQ-ZRDIBKRKSA-N 427.500 5.551 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)Cc1ccc(C)c(C)c1 1875136465 AHGACCNXQQJJBY-GXDHUFHOSA-N 428.528 6.055 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2OC)cc1OC 1875139923 IESJHIMMVCNMPN-DHZHZOJOSA-N 446.499 5.445 30 10 IKEE CCCCC(=O)Oc1c(OCC)cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1[N+](=O)[O-] 1875141893 AOADVUHOEHMSJW-DHZHZOJOSA-N 429.444 5.433 30 10 IKEE Cc1ccsc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1Cl 1875148803 VRKQKZCXZMQKLJ-VZUCSPMQSA-N 438.976 7.123 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2[N+](=O)[O-])c1 1875175015 VFWCIMZXEMEJPO-FMIVXFBMSA-N 445.471 5.726 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cc(Cl)c(OC(=O)C3CCC3)c(OC)c2)cc1C 1875186576 BXNJBKASUMYKPY-CMDGGOBGSA-N 428.912 5.576 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cc(Cl)c(OC(=O)CC(C)C)c(OC)c1 1875191962 NBQCWCOXWPZHJL-FNORWQNLSA-N 437.319 5.858 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N1CCC[C@@H](C)C1)n2CCCOC 1875222045 RIBYNNJIFNFFQF-HXUWFJFHSA-N 443.636 5.112 30 10 IKEE O[C@H](CC#CC1CCCCC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875587747 RJZPEODGSYYHKF-MUUNZHRXSA-N 440.583 6.852 30 10 IKEE C[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)CN1C(=O)OC(C)(C)C 1900295165 AXORYJSZBLRLCL-IVZQSRNASA-N 435.952 5.373 30 10 IKEE CC(C)(C)OC(=O)NC1([C@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)CCCC1 1902180794 AXGOWRWJDWJALR-KRWDZBQOSA-N 435.590 5.215 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@H](CNC(=O)OC(C)(C)C)C1CCC1)NCCC 1922066717 WAXAVLZBGWYPLI-DNQXCXABSA-N 430.633 5.459 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C 1922067157 ZKKGQUVAGKHEIZ-RPBOFIJWSA-N 438.612 5.264 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](O)c1ccc(Cl)cc1Br 1922067738 DJPFUBNHVCPWRQ-RTWAWAEBSA-N 438.793 5.277 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@H](CCc1ccccc1)NC(=O)OC(C)(C)C 1922075982 AXRPYDPDMTVXGV-DQEYMECFSA-N 438.612 5.264 30 10 IKEE C=C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)([C@@H](CCCC)C(=O)O)C(C)(C)C 1927541187 WWZWXUVSOKSRGS-RBJSKKJNSA-N 449.591 6.387 30 10 IKEE C=C(Br)CNc1cc(Br)c(Br)c(Br)c1 1931649409 DJVVDQIRIOSQPK-UHFFFAOYSA-N 448.778 5.295 30 10 IKEE C[C@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1938770700 GVNQGUFEWGMDKZ-QRQCRPRQSA-N 435.952 5.373 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]([C@@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)C1 1993190761 KZZFZVQSRIRTLI-FUHWJXTLSA-N 435.590 5.024 30 10 IKEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 1999944597 ORXLNEYORNMAMJ-HJPURHCSSA-N 433.524 5.106 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@H](C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2021497336 IOUWZFFRNAJMQA-MSOLQXFVSA-N 449.617 5.413 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCC(C)(C)N(C(=O)OC(C)(C)C)C1 2038519102 JUIVKDDNQXNPTE-RUZDIDTESA-N 443.588 5.808 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)CC2CCN(C(=O)OC(C)(C)C)CC2)cc1 2045574707 KJIRLEYCFWQXOJ-OAQYLSRUSA-N 443.588 5.666 30 10 IKEE ON=Cc1c(C(F)(F)F)nn([C@@H](c2ccc(C(F)(F)F)cc2F)C2CC2)c1Cl 2079970838 YBKIDUSVRVFRHD-GFCCVEGCSA-N 429.723 5.521 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]([C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 2082162628 UGSLXHQKAJPEOB-BUKPSGGLSA-N 447.551 5.543 30 10 IKEE C=CCN(CC[C@@H](NCC)c1cc(C)cc(Br)c1F)C(=O)OC(C)(C)C 2099286898 DHBRPGMEXJXHMH-QGZVFWFLSA-N 429.374 5.360 30 10 IKEE C[C@H](C1CC1)N(Cc1ccccc1)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(F)(F)F 2116148899 WHTUKOCWCLCGQM-QGZVFWFLSA-N 445.334 5.810 30 10 IKEE C=C1CC(C[C@H](NCCC)c2ccc(Br)cc2I)C1 2142287906 PCUUDHRQDODQIE-INIZCTEOSA-N 434.159 5.451 30 10 IKEE CC(C)N(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cc(Br)cc(C#N)c1 2174812032 GEXNSDXUULHHJB-MRXNPFEDSA-N 436.394 5.183 30 10 IKEE CCCN[C@@H](CC#CC1CCCC1)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2251494784 FXXDFHUQPZIAAI-ZEQRLZLVSA-N 428.617 5.048 30 10 IKEE C=CCCC1([C@@H](O)c2c(C)ccc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2266231370 GAZHDBMMFMYTHL-KRWDZBQOSA-N 428.342 5.133 30 10 IKEE C=CCCC1([C@H](NCC)c2ccc(Br)c(C)n2)CN(C(=O)OC(C)(C)C)C1 2281047382 ZBGMXZJYRGMUJU-GOSISDBHSA-N 438.410 5.006 30 10 IKEE C=CCOc1c(Br)cc(C=Cc2ccc3cccc(O)c3n2)cc1OCC 2295832698 WEJKNKHXSKYPOW-UHFFFAOYSA-N 426.310 5.837 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(CC[C@@H](O)C#Cc2cccc(Br)c2)cc1 2296226326 FLWPDLIPLPLYAM-HXUWFJFHSA-N 430.342 5.141 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OS(=O)(=O)c3ccc(Cl)cc3)ccc2C1=O 2296778321 JRINUCJPJLYVPP-UHFFFAOYSA-N 432.906 5.094 30 10 IKEE Cc1ccc2c(c1)SC(=C1C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C1=O)S2 2297464326 YMDSWPZYGHRYGY-SPLYDSFFSA-N 438.702 8.016 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)[C@H]2CC[C@H]21 2309988064 YZWTWFUXFPVVDG-DFIYOIEZSA-N 447.620 5.628 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(OCc2ccccc2)cc1 2314469567 BUDKIZJHFSTLIH-DQEYMECFSA-N 436.596 5.613 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@@H](C#N)[C@@]1(C)CCCCN1C(=O)OC(C)(C)C 2318947192 RJSFVEOHXDXXAO-YADARESESA-N 447.551 5.639 30 10 IKEE COC(=O)c1ccc(C=CC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1 2321425751 WFBBOCJRVWWDGO-UHFFFAOYSA-N 448.478 5.924 30 10 IKEE COC(=O)c1ccc(C=C2Oc3c(ccc(OCc4cccc(Cl)c4)c3C)C2=O)cc1 2321766687 VTJUWLKKYJWBKS-UHFFFAOYSA-N 434.875 5.630 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccccc1)O3)CN(CCc1c[nH]c3ccccc13)CO2 2321911627 STQXMUPKUQQVTR-UHFFFAOYSA-N 436.511 5.487 30 10 IKEE O=C1C(=Cc2c(F)cccc2Cl)Oc2c1ccc1c2CN(CCC2=CCCCC2)CO1 2322106727 DWPGMIPIMPCVTM-UHFFFAOYSA-N 439.914 6.138 30 10 IKEE O=C1C(=Cc2ccc3c(c2)OCO3)Oc2c1ccc1c2CN(CCC2=CCCCC2)CO1 2322107161 QNLIMTOZMXVBQB-UHFFFAOYSA-N 431.488 5.074 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc4c3CN(CCCc3ccccc3)CO4)C2=O)cc1 2322214389 ZMRKWQQHPNLLIU-UHFFFAOYSA-N 441.527 5.486 30 10 IKEE CC(C)COC(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc(Cl)c(Cl)c1 2322585637 QKPCQNMWDCUXLW-UHFFFAOYSA-N 441.738 6.121 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2c(OCc3ccc(C)cc3)ccc3ccccc23)c1 2322660028 WIXYILAUKCGTSS-UHFFFAOYSA-N 438.523 6.641 30 10 IKEE Cc1ccc(COc2ccc(Br)cc2C=CC(=O)c2ccc(C)c(C)c2)cc1 2322886617 PEHLWERBJVKNGA-UHFFFAOYSA-N 435.361 6.849 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C)c(C)c2)c1OCc1ccc(Cl)c(Cl)c1 2322900963 OLLRACWQTAMPML-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE Cc1c(OC(=O)[C@H]2CCCO2)ccc2c1OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2322926739 VTXJNDDGSXUKJK-HSZRJFAPSA-N 426.468 5.363 30 10 IKEE COc1cccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)c1OCc1ccccc1C 2322969272 MNEBNCFYSGPRHW-UHFFFAOYSA-N 428.572 7.085 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc(OC(=O)C=Cc3ccc(Cl)cc3)c2C)C1=O 2323327224 MBTJYEHULYXDSH-UHFFFAOYSA-N 446.886 5.892 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2F)c(Cl)c1)c1cccc(Br)c1 2323652791 BAZDLZWTCLMXGT-UHFFFAOYSA-N 445.715 6.717 30 10 IKEE CCCCC(=O)Oc1cc(C)c2c(c1)OC(=Cc1cn(CC)c3ccc(OC)cc13)C2=O 2323743942 KQWYJCYHLJXNOB-UHFFFAOYSA-N 433.504 5.690 30 10 IKEE Cc1ccc(C)c(COc2ccc(C=CC(=O)c3cccc4ccccc34)cc2Cl)c1 2324129707 ZHMPUWJGOGVZIS-UHFFFAOYSA-N 426.943 7.585 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OCCc3ccccc3)c([N+](=O)[O-])c2)c1C 2324349048 FYXAGVKCWYKBRU-UHFFFAOYSA-N 429.516 6.346 30 10 IKEE C=C(C)COc1c(OCC)cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1[N+](=O)[O-] 2324583951 XBTSZGAGWOKKGB-UHFFFAOYSA-N 437.536 6.450 30 10 IKEE CCCOc1c(OC)cc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1OC 2324589162 XSUKTAQXRUJXAZ-UHFFFAOYSA-N 425.308 5.704 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCCCCOc4ccccc4C)cc(C)c3C2=O)cc1 2324599200 PLOHDIFZSANZEB-UHFFFAOYSA-N 442.555 6.720 30 10 IKEE N#C[C@H](C(=O)C=Cc1ccc2c(c1)OCCO2)c1nc(-c2cccc3ccccc23)cs1 2324637756 SCCXOEREQXZDNR-OAQYLSRUSA-N 438.508 5.624 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccccc1[N+](=O)[O-] 2325532432 PXVHFPQWKNVLEM-UHFFFAOYSA-N 429.933 5.357 30 10 IKEE O=C(Cc1cc(Cl)ccc1Cl)Oc1cccc(C=CC(=O)c2ccc(Cl)cc2)c1 2325730200 OCNXTHPRBABTGV-UHFFFAOYSA-N 445.729 6.691 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(OCC(C)C)cc3)c2)cc1 2325734720 BCOLTAQCRWNDQV-UHFFFAOYSA-N 444.527 6.235 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)Cc3ccccc3OC)c2)cc1C 2325770913 ROKAQDLSQUJLJX-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@@H](C2CCC2)C1 2326266076 ZUKHAABETLJKFT-ATIYNZHBSA-N 442.600 5.088 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1N=Cc1c(C)n(C)c2ccccc12 2326389271 JMGDPOUGWVONGD-UHFFFAOYSA-N 431.609 5.904 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1c(OC)ccc2ccccc12 2326446312 HUYGBZJZNIYVJK-UHFFFAOYSA-N 444.604 6.184 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1N=Cc1c(C)n(C)c2ccccc12 2326551350 DLCJIDSNERVTPV-UHFFFAOYSA-N 438.000 5.859 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(CC34CC5CC(CC(C5)C3)C4)nnc2SC)cc1 2326868127 SCKOKLIZJRXIJA-UHFFFAOYSA-N 437.657 5.487 30 10 IKEE CCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccc(OC)c(O)c1 2326927137 UWIBDILNSGWFFI-UHFFFAOYSA-N 440.613 5.136 30 10 IKEE CCCc1ccc(OCc2nnc(SCc3ccc(C)cc3)n2N=Cc2ccco2)cc1 2327324565 ZEFJZFUFFDKGOA-UHFFFAOYSA-N 446.576 5.886 30 10 IKEE Fc1ccccc1C=Nn1c(CCOc2ccccc2)nnc1SCc1ccccc1 2329210110 OCFQKFIJECOSFI-UHFFFAOYSA-N 432.524 5.213 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2ccccc2Cl)cc1 2329277982 YKDNGMWCUZFNMX-UHFFFAOYSA-N 448.979 5.705 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc[nH]1 2329510002 QDPQIDVTERRBIU-UHFFFAOYSA-N 435.984 5.528 30 10 IKEE COc1cc(C=NNC(=S)NC2CCCCCCCCCCC2)cc(OC)c1OC 2330416623 SUNRDBRVUWBRNJ-UHFFFAOYSA-N 435.634 5.184 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3ccccn3)c(OC)c2)cc1C 2330854581 LUACRIQSGFPJDR-UHFFFAOYSA-N 437.879 5.176 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)ccc1OC(=O)c1cc(C)cc(C)c1 2330979730 VOBOSBAQRWJCBH-UHFFFAOYSA-N 430.500 5.826 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2Cl)cc1C 2331025503 AZRHZLTUJUHTQU-UHFFFAOYSA-N 435.863 5.980 30 10 IKEE Oc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CCCC2)cc1O 2331077731 CUBLPGZWPPJPNX-UHFFFAOYSA-N 428.945 5.175 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3cccc(Cl)c3)cc2Cl)cc1 2331122879 XMTTXTOSZASXDU-UHFFFAOYSA-N 425.311 6.346 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)Cc2ccc(F)cc2)c([N+](=O)[O-])c1 2331362351 ZOYBHTFQVVGSRA-UHFFFAOYSA-N 449.434 5.095 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC(=O)Cc1ccc(F)c(C)c1 2331376655 DAWNYXGYBWGVAD-UHFFFAOYSA-N 448.490 5.504 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCCO4)cc2)CC1 2331396461 BXDVGNOTDHJJTB-UHFFFAOYSA-N 448.559 6.256 30 10 IKEE COc1ccc(C=Nn2c(CC(C)C)nnc2SCc2c(Cl)cccc2Cl)cc1 2331461196 VCDXDVKGIDDCOH-UHFFFAOYSA-N 449.407 5.967 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2OCC)cc1 2331534491 OVWNFHCUAQKFIX-UHFFFAOYSA-N 434.463 5.738 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)c1ccccn1 2331571075 JDEPMUSBGRFLTE-UHFFFAOYSA-N 435.426 5.212 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3cccs3)c(Cl)c2)cc1C 2331841049 CSWGHLQPCLIEHG-UHFFFAOYSA-N 426.921 6.142 30 10 IKEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)CN(Cc2ccccc2)C2(CCCCCC2)C1 2347130174 SKGYGKKQBOBPCM-GDLZYMKVSA-N 446.635 5.887 30 10 IKEE CCCN[C@@H](C#C[C@@H]1CC1(C)C)c1ccc(Br)cc1I 2365096182 NRWJFFTYTZXLOM-WBMJQRKESA-N 446.170 5.144 30 10 IKEE CCCCCCC[C@H](NCC)[C@@H](O)c1sc(Cl)cc1I 2366653674 HDPFMFUOOQMKHN-GXTWGEPZSA-N 429.795 5.378 30 10 IKEE CC1(C)OB(c2ccc(COc3ccc(Br)c(Cl)c3)c(F)c2)OC1(C)C 2369095242 XSUCWEYNCZYXTD-UHFFFAOYSA-N 441.533 5.120 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(OCC)cc2)cc1 5926988 QMRZZYAVGDEQQN-JOCHJYFZSA-N 449.528 5.328 30 10 IKEE Cc1nc2n(n1)[C@@H](c1cc(F)cc(F)c1)C1=C(C[C@H](c3ccc(C(C)C)cc3)CC1=O)N2 17098814 ZQVPXGXHBISGGP-XDHUDOTRSA-N 434.490 5.404 30 10 IKEE C/C(=N\Nc1nc(SCCC(=O)Nc2cc(Cl)ccc2Cl)n[nH]1)c1ccccc1 21081482 PCJULNILQCRSNR-WYMPLXKRSA-N 449.367 5.069 30 10 IKEE CC(=O)Oc1ccc(-c2ccc(/C=N/c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc2)cc1 27467981 LLQMXXAAJQVTJZ-UZWMFBFFSA-N 449.594 7.497 30 10 IKEE COc1ccc2c(c1)CC[C@@H]1[C@@H]3C/C(=C/c4ccc(OC(F)F)cc4)C(=O)[C@]3(C)CC[C@@H]21 35718230 SDYMIDMUFXWPCF-FQBGBHJGSA-N 438.514 6.415 30 10 IKEE N#CC1(C#N)[C@H](c2cccc(F)c2)[C@H](C(=O)c2ccc(F)cc2)N2C=Cc3ccccc3[C@H]21 36006165 ZCQXDEVYYADLAT-MZKUHISZSA-N 437.449 5.375 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2Cl)Oc2cc(OCc3ccc(Cl)cc3)ccc21 38320968 ZAHKCFWYQPKKQM-NKVSQWTQSA-N 431.702 6.842 30 10 IKEE C=CCc1ccccc1OCCCn1c(CCNC(=O)c2ccccc2)nc2ccccc21 40199345 YZBBLKGBZZBOHH-UHFFFAOYSA-N 439.559 5.206 30 10 IKEE C=C(C)COc1ccccc1NCC(=O)Nc1ccc(OCCOc2ccccc2)cc1 66062816 ASDUPLPMCUIZKN-UHFFFAOYSA-N 432.520 5.150 30 10 IKEE CC[C@@H]1CN/C(=N\c2ccc(C(=O)/C=C\c3cc(Br)ccc3F)cc2)S1 96891541 FBAMVIKJFDGUEB-OCKNTNFFSA-N 433.346 5.587 30 10 IKEE O=S(=O)(/N=C(\O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)c1cc(Cl)ccc1Cl 97465340 BKXQVRJJROZXNN-NWDGAFQWSA-N 438.254 5.461 30 10 IKEE O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1ccccc1C(F)(F)F)c1c(O)n[nH]c1N2 98036650 BBUZLNIRBWJHPO-HWPZZCPQSA-N 431.439 5.154 30 10 IKEE CCCCCCCCCCCCCCCCNCc1cccc(OC)c1O[C@H](C)CC 100125428 AWMPONVCMWOJRK-RUZDIDTESA-N 433.721 8.443 30 10 IKEE CCCCCCCCCCCCCCCCn1c([C@@H](O)c2ccccc2)nc2ccccc21 102180769 HQRISQZMXWTVGM-LJAQVGFWSA-N 448.695 8.599 30 10 IKEE COc1c(Cl)cc(/C=N\Nc2nc(-c3cccs3)c(C)s2)c(OC)c1Cl 169942930 YBDPPPUOFIUJLN-ZBKNUEDVSA-N 428.366 5.950 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2cccc(C)c2)c1 169968452 RQYAWEMPBRPISA-JOCHJYFZSA-N 435.426 5.065 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2cccs2)c1 169981972 QIWOKSGETPYFHG-QHCPKHFHSA-N 433.529 5.249 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1cccs1)c1cc2ccccc2o1 169988209 XQKJJLMQPCMOLE-FQEVSTJZSA-N 437.423 5.555 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccncc2)cc1 170017141 OEYNECGOVFENKY-JOCHJYFZSA-N 446.934 5.815 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 170048417 LDXPKLDWGKGCID-QFIPXVFZSA-N 433.891 5.127 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccc(C)c2)cc1 170142488 VXNIQLZWVDFYNK-XMMPIXPASA-N 438.483 5.048 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(C)c2)c1 170148447 AYXNUONQWAFBEC-JOCHJYFZSA-N 439.939 5.568 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(OC(C)C)c1 170153130 RMDRWISOYLYBRK-NRFANRHFSA-N 427.928 5.506 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1cccc(O)c1 170258346 HECVWEZKEQVBJA-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2cc(F)ccc2F)o1 170306037 BLFKZEPAUCWWAU-NRFANRHFSA-N 434.398 5.130 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2cccc(OCC(C)C)c2)cc1 170366140 NKCMCFWJFOCMSC-DEOSSOPVSA-N 442.515 5.208 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(N3CCCCC3)cc2)o1 170401662 AIISTZSZPQWIQL-QFIPXVFZSA-N 448.544 5.423 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(OC)cc2)cc1 170452983 BUWKRVLFRHAWEO-QFIPXVFZSA-N 436.552 5.057 30 10 IKEE CCCOC(=O)c1ccc(CN2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2cccc(C)c2)cc1 170459288 AEJYNBPPZRZOAU-QFIPXVFZSA-N 449.547 5.073 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]1c1ccc(C(C)(C)C)cc1 170470171 DAGOOSYAHRLISL-OAQYLSRUSA-N 439.983 6.461 30 10 IKEE C=CCc1ccccc1OCCCn1c(CCCCCNC(=O)/C=C\C)nc2ccccc21 205737415 ZDODMWSMZDGVDI-CPSFFCFKSA-N 445.607 5.639 30 10 IKEE COc1ccc(/C=C2\C[C@@H]3[C@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cc1 253534369 RZZSYQOCHYTRMK-ZYUUFZLQSA-N 448.603 6.152 30 10 IKEE CCSc1nnc(C(F)F)n1N=Cc1ccc(COc2ccc(F)c(Cl)c2)o1 254293819 LDMKLQKWAINFKF-UHFFFAOYSA-N 430.839 5.174 30 10 IKEE COc1cc(C=NNc2nc3ccccc3s2)ccc1OCC(=O)Nc1cccc(C)c1 254341388 FBQDQLYHLXDSDZ-UHFFFAOYSA-N 446.532 5.077 30 10 IKEE CC(=O)C(=NNc1ccccc1C)Sc1nnc(-c2ccccc2)n1-c1ccccc1 254387193 VMOUKQMRCDQQTI-UHFFFAOYSA-N 427.533 5.349 30 10 IKEE CCCCCCCCC(=O)Nc1cc(Br)ccc1I 306045922 ZZSOISAEXBDSQL-UHFFFAOYSA-N 438.147 5.743 30 10 IKEE SC[C@H]1CN(Cc2ccccc2)C[C@H]1c1cc(Cl)ccc1I 382735730 WVLXSEBHRMAJSK-RHSMWYFYSA-N 443.781 5.090 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)cc1)NCCC 406439171 JVKWHVUHMMUIPU-MOPGFXCFSA-N 425.411 5.219 30 10 IKEE C=C(COC(C)C)[C@@H](NCCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 407084388 IWDVQFLGHDFVOS-LJQANCHMSA-N 441.410 5.818 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(C)o2)cc1OC 526488888 ROYINXNDGUHPPI-DEOSSOPVSA-N 444.487 5.314 30 10 IKEE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2cccc(C#N)c2)[C@H]1c1cccc(C)c1 526521584 MPADDBQLVWSRIV-DEOSSOPVSA-N 440.499 5.331 30 10 IKEE CCOc1cccc([C@@H]2C(c3cccc4ccccc34)=C(O)C(=O)N2c2ccccc2C#N)c1 526611795 XZZCWTBGVDIZSP-HHHXNRCGSA-N 446.506 6.167 30 10 IKEE CCCOc1ccc(/C=N\n2c(C)nnc2SCc2cc(C)cc(C)c2)cc1Cl 526809995 SQTAEIBFOATDKN-CFRMEGHHSA-N 428.989 5.820 30 10 IKEE Cc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccc(Cl)c([N+](=O)[O-])c1 526821110 BIPMVHZYZCGQCG-FMCGGJTJSA-N 437.912 5.476 30 10 IKEE CCCCOc1cccc(/C=N\n2c(C)nnc2SCc2cccc3ccccc23)c1 526821526 XDFUUJSOMPHKOH-ONUIUJJFSA-N 430.577 6.093 30 10 IKEE N#Cc1cccc(CN(Cc2ccccc2Cl)S(=O)(=O)c2cccc(Cl)c2)c1 586168623 GJZRZNHMGDHXAK-UHFFFAOYSA-N 431.344 5.256 30 10 IKEE C#CCN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(CCCCCC)cc1 586181342 PQNAXIHRRFTROT-UHFFFAOYSA-N 437.527 5.652 30 10 IKEE Cc1ccc(S(=O)(=O)N(CCCC#N)c2ccc(N3CCC(C)CC3)cc2)cc1C 586211686 NTFZSJJXFLVKJW-UHFFFAOYSA-N 425.598 5.039 30 10 IKEE N#CCCCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 586260637 JNTXLNSBVNFJDN-UHFFFAOYSA-N 426.925 5.631 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H]1C(C)(C)[C@@]2(C#N)Nc1ccc(Br)cc1 693738090 LAFPUOCYQXQDOV-WWMYMODYSA-N 434.378 5.179 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1csc2ccccc12 698488559 LHNCXESGGXCNKD-GOSISDBHSA-N 443.366 6.670 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@](C)(C#N)c1ccc(Br)cc1F 698900435 GXRQUXDQEIOVCQ-HXUWFJFHSA-N 437.284 5.908 30 10 IKEE CC(=NNc1nc(SCc2ccc(Cl)c(Cl)c2)n[nH]1)c1ccc([N+](=O)[O-])cc1 1083845960 XXFOTUSUWZHZEZ-UHFFFAOYSA-N 437.312 5.148 30 10 IKEE Cc1cc(C=Nc2cccc(Br)c2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 1084075146 FULWGKOVUBZVJH-UHFFFAOYSA-N 441.281 5.004 30 10 IKEE O=C1[C@H](Cc2ccc(Cl)c(Cl)c2)SC(=Nc2ccccc2)N1c1ccccc1 1772727872 MZUFJFJFUOVXKE-FQEVSTJZSA-N 427.356 6.372 30 10 IKEE C=CCN1C(=O)/C(=C\c2cccc3ccccc23)SC1=Nc1ccc(O)cc1C(=O)O 1772760883 FNOOBQCAAXRPIN-QJDZWDSLSA-N 430.485 5.034 30 10 IKEE CCCCCCOc1ccc(C=NNc2nnc3c4ccccc4n(CCCC)c3n2)cc1 1772765182 XAWCHGAKSUDRMC-UHFFFAOYSA-N 444.583 6.185 30 10 IKEE N#CCc1ccc(-c2ccccc2OC(F)(F)F)c(-c2ccccc2OC(F)(F)F)n1 1848361736 HENKKKWLLUPMIR-UHFFFAOYSA-N 438.327 6.279 30 10 IKEE CCCOc1ccc(/C=C/C(=O)C(=O)NC2CCCCCCCCCCC2)cc1OCC 1860735143 GOOPEDONGVYHNW-FBMGVBCBSA-N 443.628 6.246 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1Br 1861024719 BNMSWQLCSSFSAP-HXUWFJFHSA-N 437.422 5.311 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@@H]2c2ccc(OCC)c(OC)c2)cc1 1862395508 ZBRJGBRMSLJONZ-HSZRJFAPSA-N 437.536 5.035 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc(Cl)cc2Cl)cc1C 1862408265 IJDRBMJNNVINAN-HXUWFJFHSA-N 448.346 5.545 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@@H]1c1ccc(F)cc1)c1ccccc1Cl 1862430206 FQNCXCZRVOASGS-JOCHJYFZSA-N 441.930 6.170 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@H]1c1cccc(O)c1)c1cccc(Cl)c1 1862442033 FRYKLJHKWNAVRB-QFIPXVFZSA-N 437.923 5.514 30 10 IKEE CCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccccc1 1862486378 AKVPFMUUDLAFER-AREMUKBSSA-N 447.619 7.022 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc(Br)c1 1862487986 ODBLRDAMVNDRAS-FQEVSTJZSA-N 442.353 5.526 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2Cl)c1 1862490998 JHODGFXVVKIODH-NRFANRHFSA-N 437.948 5.797 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862584567 BDCYKHXINIZKKV-SFHVURJKSA-N 449.290 5.136 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862644296 HXUGEFTUBLQBNM-NRFANRHFSA-N 425.500 5.120 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@H]2c2ccccc2)cc1 1862688269 VPPSLTNWAGKQLM-QFIPXVFZSA-N 433.891 5.127 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccc(C)cc2)c1 1862698706 LNBDUPTUJXMJEY-DEOSSOPVSA-N 433.548 5.695 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(O)c(O)c1 1862712426 QOQRUJJKMBYMFF-DEOSSOPVSA-N 445.515 5.410 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(Cl)cc2)C1=O 1862795914 WXIQAZFOCOSSKC-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE N#Cc1ccc(NC2=C(c3cccc4ccccc34)C(=O)N(Cc3cccs3)C2=O)cc1 1863224379 JNMYBDWSBZBBAJ-UHFFFAOYSA-N 435.508 5.165 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCOC(C)C)=C(c2ccc(Cl)cc2)C1=O 1863535409 DBMOHUXKYSZTRY-UHFFFAOYSA-N 435.008 5.185 30 10 IKEE CCCCCCCCCCCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 1865984960 PVHYNGVRDQHMKH-UHFFFAOYSA-N 426.567 7.555 30 10 IKEE CCCC[C@@H](NC(=O)C[C@H](CC(C)C)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)cc1 1867105631 WQAINWCCVPZUJP-XUZZJYLKSA-N 437.559 5.531 30 10 IKEE CCCCCCCCCCn1cc(OCc2cccc(C)c2)c(=O)cc1CSC(C)C 1870171848 ZVRZHMIDMXXRSC-UHFFFAOYSA-N 443.697 7.518 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCCOc2ccc(C)cc2)cn1CCC(C)C 1870776843 WPESQKALRODGGB-UHFFFAOYSA-N 438.612 5.225 30 10 IKEE C=CCOc1cn(CCc2ccc(C)cc2)c(CNc2cccc(C(C)(C)C)c2)cc1=O 1870809712 RNVHEBCBZBSFGB-UHFFFAOYSA-N 430.592 5.874 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O 1871369519 PEQQVPRUFJJFMT-IWIPYMOSSA-N 432.447 5.515 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)CCCOc4ccccc4C)cc(C)c3C2=O)cc1 1871371224 KYRMGNGHRATGRI-XYGWBWBKSA-N 442.511 5.993 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc(OC(=O)c3ccc(Cl)c(Cl)c3)c2C)C1=O 1871372525 WSZSBWRSNAGEFW-ZDLGFXPLSA-N 445.323 6.507 30 10 IKEE CCCC(=O)Oc1cc(C)c2c(c1)O/C(=C\c1cc(Br)ccc1OC)C2=O 1871390735 ARQGKXHAFGQVCQ-ZDLGFXPLSA-N 431.282 5.088 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCCCOc4ccccc4)ccc3C2=O)c1OC 1871397544 XNKMMKIRVCACGK-JLPGSUDCSA-N 432.472 5.168 30 10 IKEE O=C1/C(=C/c2ccccc2Br)Oc2cc(OCCCc3ccccc3)ccc21 1871399979 YVKFQRUKORIYAX-HAHDFKILSA-N 435.317 6.077 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OCCCOc3ccc(Cl)cc3)c2C)C1=O 1871406321 RSJSNJSLXXIRBK-JLPGSUDCSA-N 434.919 6.421 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O 1871440347 KEHXQHAOPDWXRN-UUYOSTAYSA-N 433.891 5.591 30 10 IKEE Cc1ccccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(N(C)C)cc1)C2=O 1871453511 CCFAYDXEMASPOU-OYKKKHCWSA-N 442.515 5.003 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4Cl)cc(C)c3C2=O)cc1 1871455247 HRQZRSUWWNFAAL-UUYOSTAYSA-N 433.891 5.591 30 10 IKEE CCCCCCCCCCN=c1nc(N(C)CCCC)[nH]c(=Nc2ccc(C)c(F)c2)[nH]1 1871581317 BMIAXKYQYFUQNX-UHFFFAOYSA-N 444.643 5.695 30 10 IKEE CC(C)(C)c1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 1872759804 AAYDATZPZKBURT-USXRGHEGSA-N 440.612 6.876 30 10 IKEE CC(C)(C)c1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(Br)c3)n2)cc1 1872773477 OOOHCRKCWJKVRP-GOSISDBHSA-N 439.378 6.360 30 10 IKEE CC(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)c1 1872787477 KLOYYEWRKIGUBS-MRXNPFEDSA-N 430.316 5.565 30 10 IKEE Cc1ccc(OCc2nc3ccc(C(=O)Nc4ccccc4C#N)cc3[nH]2)c(C(C)(C)C)c1 1872804953 SLMNSUZYDFGFCY-UHFFFAOYSA-N 438.531 5.872 30 10 IKEE CCCCCCCCNC(=O)c1ccc(CN2CCN(c3cccc(C)c3C)CC2)cc1 1872881362 OBLKQNBKKQEXCF-UHFFFAOYSA-N 435.656 5.716 30 10 IKEE Cc1nc(SCc2cccc(C(=O)NCCc3ccc(F)cc3)c2)c(C#N)c(C)c1C 1872893058 FINRQVPUDJDPBY-UHFFFAOYSA-N 433.552 5.282 30 10 IKEE CCCCOCCCNC(=O)c1ccc(CSc2nc(C)c(C)c(C)c2C#N)cc1 1872895426 SWOUFNKQUOSMET-UHFFFAOYSA-N 425.598 5.107 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2C)C(=O)N(CCCc2ccccc2)C1=O 1873104296 SVUKQOIHOLSGHJ-UHFFFAOYSA-N 432.608 5.658 30 10 IKEE CCCCCCCCNC1=C(c2ccc(OC(C)C)cc2)C(=O)N(CCCCCC)C1=O 1873146042 CMINRTQQADGQMZ-UHFFFAOYSA-N 442.644 6.084 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(Cl)cc1C)n2CCCC 1873656576 DUGILOCUOHPKSX-UHFFFAOYSA-N 437.975 5.624 30 10 IKEE CCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874245861 AQNPGPKCXXWOBK-ZVHZXABRSA-N 449.407 5.899 30 10 IKEE CCSc1nnc(CCCOc2ccccc2)n1/N=C/c1cccc(Br)c1 1874316628 CUQFCJKIXQIPAW-PXLXIMEGSA-N 445.386 5.046 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2)n1/N=C/c1cccc2ccccc12 1874317728 IOXDKWSXZBVMPK-LGUFXXKBSA-N 428.561 5.603 30 10 IKEE CCCCOc1ccc(/C=N/n2c(COCc3ccccc3)nnc2SCCC)cc1 1874355395 WZWLLINMQLYLNF-KOEQRZSOSA-N 438.597 5.558 30 10 IKEE Cc1cccc(/C=N/n2c(COCc3ccccc3)nnc2SCc2ccccc2)c1 1874355609 SHMYUBLIJBGYBR-WGOQTCKBSA-N 428.561 5.478 30 10 IKEE CCCSc1nnc(Cc2ccccc2)n1/N=C/c1cc(Br)ccc1F 1874419092 YBXDXADTXWVKJO-LPYMAVHISA-N 433.350 5.155 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccccc3)n2/N=C/c2ccccc2C(=O)O)c1 1874428374 GIXDQNDRKKQDFB-CVKSISIWSA-N 442.544 5.435 30 10 IKEE Clc1ccc(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2cccc3ccccc23)cc1 1874450808 JUAAEEJAEDEBRJ-WGLQLPMYSA-N 448.979 6.111 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCCc3ccccc3)nnc2C(F)(F)F)c1 1874461674 ZVXVGZOSWHNSKB-MFKUBSTISA-N 434.487 5.303 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(F)cc1 1874480324 RUGOKJAJJQVYIR-WYMPLXKRSA-N 437.371 6.241 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C2CCC2)c1 1874496318 GGDCPHRDAFKVCX-WYMPLXKRSA-N 431.392 6.335 30 10 IKEE COc1cccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C2CCC2)c1O 1874499681 WTKSIRBSNAEOHO-BHGWPJFGSA-N 446.935 5.227 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccc(N(C)C)cc1 1874508647 OMICDKPMABWWLU-ZMOGYAJESA-N 448.423 5.778 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)c1OCc1ccccc1Cl 1874590342 GQHKOPPPYRECKW-JQIJEIRASA-N 448.990 7.430 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1OCCc1ccccc1 1874601035 PKNRESALBVJDQX-YRNVUSSQSA-N 427.327 6.520 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OCC(=O)Nc1cccc(C)c1C 1874608273 FWHLUCWUNJNQSR-ACCUITESSA-N 449.934 5.879 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3cccc4ccccc34)c(Cl)c2)cc1 1874609517 WFFKEAMZWBGSKP-OQLLNIDSSA-N 428.915 6.977 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(C(=O)OC)o3)c(Cl)c2)cc1 1874613753 LPNJGGZHZLVFKJ-NYYWCZLTSA-N 440.879 5.593 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2ccccc2)cc1[N+](=O)[O-] 1874614265 BDTSDPMFNBPCKK-WYMLVPIESA-N 430.460 5.071 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(OC)c1OCCc1ccccc1 1874623488 FTIYGQGUGYZQIU-FOCLMDBBSA-N 438.523 6.375 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3nccs3)c(Cl)c2)cc1 1874624168 PCEWDUDPKMPIOP-YCRREMRBSA-N 440.952 5.834 30 10 IKEE CCCCCCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cc(C)ccc1C 1874687635 VBDRNOUCIDHLSV-AREMUKBSSA-N 447.623 6.201 30 10 IKEE COc1cccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3cc(C)ccc3OC)c2)c1 1874704262 FGXUOHYFGOIGKT-ACCUITESSA-N 430.500 5.447 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)CC34CC5CC(CC(C5)C3)C4)c2)c(C)c1 1874716090 AJOIYQULGRNRJP-BQYQJAHWSA-N 442.599 7.020 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(Cl)cc2)CSc2nnc(COC)n21 1874870593 FWADJNFTJQMOOQ-SFHVURJKSA-N 437.009 5.140 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(Cl)c1OC(=O)c1ccncc1 1875100643 JZSSDWKJFWRCNG-JXMROGBWSA-N 435.907 5.811 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)Cc1ccccc1[N+](=O)[O-] 1875140126 QVUYXELGIFCBBP-ZRDIBKRKSA-N 445.471 5.264 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)c1cccc(C)c1 1875142527 HOKBQNYQNURHCE-JLHYYAGUSA-N 444.502 6.295 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1cccc(C)c1 1875151518 OCTHRVDMDGRIOT-JXMROGBWSA-N 430.456 5.238 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)c(F)c3F)cc2)cc1F 1875152846 UJIUEYQEOHCDBI-ONNFQVAWSA-N 430.353 5.367 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H]3CCCO3)c(Br)c2)cc1 1875155296 AZPSGGLSYWBCMJ-NCZOVAKNSA-N 443.337 5.553 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)C(C)(C)C)c(Cl)c1 1875168079 QTZYWRUKDILWJO-FNORWQNLSA-N 441.738 6.503 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3)c([N+](=O)[O-])c2)cc1C 1875188283 RSAVFRJEJBPAQD-ONNFQVAWSA-N 449.434 5.475 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(C)c(C(F)(F)F)c3)cc21 1890543928 ADWJBNHRQGVUOC-UHFFFAOYSA-N 432.442 5.204 30 10 IKEE Cc1nn(C)c(Br)c1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1891067816 SSLFZHASZYBWKB-AWEZNQCLSA-N 439.741 5.151 30 10 IKEE C=CC[C@@H](C)SC(C)(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1892320718 KSODNRGGQYQYHR-OPAMFIHVSA-N 439.577 5.455 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@H](C#N)[C@]12C[C@H](CCN1C(=O)OC(C)(C)C)C2 1893368459 MJOVLRBBFMDAOY-FHAGJXEFSA-N 441.572 5.105 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(CCC[C@@]2(C#N)N(C(=O)OC(C)(C)C)C2CCCC2)C1 1918268911 VZGKWCGPAGYWEY-ZEQRLZLVSA-N 433.593 5.240 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCC[C@H]2NC(=O)OC(C)(C)C)cc1 2031466560 URZOCXHOHPFLGZ-NTKDMRAZSA-N 445.560 5.166 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@H]2C(C)C)c1 2067955115 KZWOAEMGTZSNGI-NBGIEHNGSA-N 443.588 5.664 30 10 IKEE CC(C)(C)OC(=O)N1CCC(c2cc(Cl)n3nc(C4CCCC4)c(C#N)c3n2)CC1 2081189588 QXYMSXBCASEYGH-UHFFFAOYSA-N 429.952 5.026 30 10 IKEE C=CCCCCCCCCC[C@H](O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2086263879 MLZBZGOHFBGXTA-HVCNVCAESA-N 447.660 6.543 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Br)c(Cl)c1F 2102884542 VUVHIAMMZLAVEM-YOEHRIQHSA-N 447.776 5.199 30 10 IKEE C=C(c1ccccc1)[C@H](NC)c1ccc(Br)cc1I 2142289377 YVNWPABPUPJBJA-INIZCTEOSA-N 428.111 5.028 30 10 IKEE C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)Nc1cc(Br)c(C#N)cc1F 2162420849 AKOYEJQPKBJWPA-ZUOKHONESA-N 440.357 5.345 30 10 IKEE C#Cc1cccc(N(C)C(=O)c2ccc(Br)cc2NC(=O)OC(C)(C)C)c1 2180049456 YHAOKOOVATWEEY-UHFFFAOYSA-N 429.314 5.054 30 10 IKEE C=CCC[C@@](C)(CO)N(C(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(C)c1 2211066204 KEQLEJATLVKLLV-LJAQVGFWSA-N 441.571 6.468 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CCC[C@@H](NC(=O)OC(C)(C)C)C(C)C)NCCC 2214445309 YICCRRFHBQZKMB-DNQXCXABSA-N 432.649 5.847 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)C1 2215216799 JCALBOHKFGJCMU-HSZRJFAPSA-N 447.963 5.375 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)CCC12CC2 2220216868 UQNVGOUIERPTTN-XMMPIXPASA-N 445.535 5.393 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NC)c2sc(C)c(C)c2Br)C1 2221827362 AMJCISOJLMUFFH-MRXNPFEDSA-N 429.424 5.249 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(Cc2c(Br)sc3ccccc23)C1 2224755853 QVUPVVIECWAKHN-FQEVSTJZSA-N 435.387 5.747 30 10 IKEE CCCN(Cc1ccccc1)C(=O)c1cc(Cl)c(C)cc1B1OC(C)(C)C(C)(C)O1 2247915419 BVNWKEFBNMSYLI-UHFFFAOYSA-N 427.781 5.000 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Br)cc(C(C)(C)C)c1 2288666427 UAIHAUHZNJCPMT-OALUTQOASA-N 439.438 5.867 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc(CCC(=O)C#Cc2cccc(Br)c2)c1 2296230658 VSQHVQVXNFEDRT-UHFFFAOYSA-N 428.326 5.350 30 10 IKEE CCCOc1ccc(C(=O)C(=Cc2ccccc2[N+](=O)[O-])c2nc3ccccc3o2)cc1 2296589827 HMQNYQUMXHEEJF-UHFFFAOYSA-N 428.444 5.948 30 10 IKEE C=CCN1C(=O)SC(=Cc2ccc(OCc3cccc(F)c3)c(Br)c2)C1=O 2297361024 WSXDEYBECJSIPL-UHFFFAOYSA-N 448.313 5.390 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 2297735040 WDLUUDAGFQCRQK-DEOSSOPVSA-N 445.902 5.531 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@H](C#N)[C@]12C[C@H](CCN1C(=O)OC(C)(C)C)C2 2306792680 CKDWSOUWJCZZDS-TXBYWVTISA-N 447.601 5.167 30 10 IKEE CC(=C1SC(=Nc2ccncc2Cl)N(C2CCCCC2)C1=O)c1cccc(N)c1 2314542455 LRSSHIRMNBFYSU-UHFFFAOYSA-N 426.973 5.644 30 10 IKEE CC#CCN(C[C@@H](NCC)c1ccc(Cl)cc1Br)C(=O)OC(C)(C)C 2316116001 FSOWUMMZGRDHQS-QGZVFWFLSA-N 429.786 5.014 30 10 IKEE O=C1C(=Cc2cccs2)Oc2c1ccc1c2CN(Cc2cccc(C(F)(F)F)c2)CO1 2321908657 XRHCPPZFUDXFOE-UHFFFAOYSA-N 443.446 5.735 30 10 IKEE CCOCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(C(C)(C)C)cc1)C3=O 2322145915 ZMYFJVGRDRWIAR-UHFFFAOYSA-N 435.564 5.487 30 10 IKEE CCOc1ccccc1C=C1Oc2c(cc3c(c2C)OCN(CCc2ccccc2)C3)C1=O 2322286880 ANGVNJZTOROGPG-UHFFFAOYSA-N 441.527 5.405 30 10 IKEE COCCCN1COc2c(cc3c(c2C)OC(=Cc2ccc(-c4ccccc4)cc2)C3=O)C1 2322328702 LDWUDVGFYYNIAP-UHFFFAOYSA-N 441.527 5.467 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc(OC)cc1 2322455974 ISPJFPLMQVQAGH-UHFFFAOYSA-N 449.934 5.825 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1 2322681121 YAGCNIQFMJVOHS-UHFFFAOYSA-N 439.382 7.766 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OCC(=O)NCc3ccccc3)c2)cc1 2323076338 SUNWWMBNWJUBIR-UHFFFAOYSA-N 427.544 5.621 30 10 IKEE Cc1cc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2F)C3=O)ccc1[N+](=O)[O-] 2323279939 PIJBSLDDKJJYQL-UHFFFAOYSA-N 433.391 5.186 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C=Cc1ccccc1Cl 2323409524 BHLDECPSFKCZCT-XMMPIXPASA-N 441.015 5.557 30 10 IKEE COc1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(C)cc2)C3=O)cc1 2323424009 IFZYUBFMJKQOCS-UHFFFAOYSA-N 426.468 5.547 30 10 IKEE CCOc1cc(C=Nn2c(S)nnc2-c2ccccc2)ccc1OCc1ccccc1F 2323512158 IHVNKYGMCZFVRD-UHFFFAOYSA-N 448.523 5.233 30 10 IKEE Cc1c(OC(=O)c2cc(Cl)ccc2Cl)ccc2c1OC(=Cc1ccccc1F)C2=O 2323582690 LYOSGKKYJKDKEF-UHFFFAOYSA-N 443.257 6.276 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1OCc1ccccc1 2323681485 UFHFRQBIWADCBR-UHFFFAOYSA-N 448.431 5.377 30 10 IKEE Cc1cc(O)c(CN2CCCc3ccccc32)c2c1C(=O)C(=Cc1ccccc1Cl)O2 2324023788 DBZNKVMZUAWYAN-UHFFFAOYSA-N 431.919 5.923 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OCC(=O)Nc1ccccc1C 2324184636 CRKWODQQGBGBJL-UHFFFAOYSA-N 449.478 5.065 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2C)C3=O)cc1 2324478025 JTGKCUWHDJUXPU-GOSISDBHSA-N 427.500 5.580 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccc(C)o2)C3=O)cc1 2324492749 WHDCZPYVSDPCSE-QGZVFWFLSA-N 431.488 5.481 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1Cl 2324607160 JROYQCMUXRFULU-GOSISDBHSA-N 449.934 5.501 30 10 IKEE CCc1ccc(NC(=O)[C@@H](CC)Oc2cc(C)c3c(c2)OC(=Cc2ccco2)C3=O)cc1 2324817074 ZCIQOLGKQSYKOQ-OAQYLSRUSA-N 431.488 5.563 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1c(Cl)cccc1Cl 2325558919 MALIKOYHSPNEOW-UHFFFAOYSA-N 433.408 6.329 30 10 IKEE CCN(Cc1ccccc1)c1ccc(C=Nn2cnnc2SCc2ccccc2F)cc1 2325652760 KSHSJSHHIAYOJR-UHFFFAOYSA-N 445.567 5.618 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(OC[C@@H]4CCCO4)c3C)C2=O)c2cc(OC)ccc21 2325686716 YUNHOOKWWLBPSD-IBGZPJMESA-N 433.504 5.152 30 10 IKEE CCOc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c(OC)c3)c2)cc1 2325703478 ICRLYAMZUHCBJB-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE Cc1cc(OCC(=O)Nc2ccccc2Cl)cc2c1C(=O)C(=Cc1ccccc1F)O2 2325718023 NRUYLERODKBYSN-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE Cc1cccc(C)c1OCCCC(=O)Oc1cccc(C=CC(=O)c2cccc(Cl)c2)c1 2325728573 VSUHIGLBJZCDKW-UHFFFAOYSA-N 448.946 6.618 30 10 IKEE CCc1ccc(CCC(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c(C)c3C)c2)cc1 2325755710 IWGYLLANGCCWGD-UHFFFAOYSA-N 442.555 6.309 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(OCC)c(Cl)c1 2326252144 SYGBEQNXGDOSCP-UHFFFAOYSA-N 446.979 5.986 30 10 IKEE CCCOc1ccc(C=Nn2c(CCCOc3c(C)cccc3C)nnc2SC)cc1 2326358053 ZRHSXHDZJVPTOH-UHFFFAOYSA-N 438.597 5.299 30 10 IKEE CCCc1nnc(SCc2ccc(Br)cc2)n1N=Cc1ccccc1OC 2326619543 CYGIPZPEECHIDG-UHFFFAOYSA-N 445.386 5.176 30 10 IKEE Cc1cccc(C=Nn2c(Cc3cccs3)nnc2SCc2cccc(Cl)c2)c1 2330431264 CBRSLEBOYVKRCX-UHFFFAOYSA-N 439.009 6.067 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Br)cc2)cc(Cl)c1OC(=O)C(C)C 2330881202 RGBFCHMPNNQNPY-UHFFFAOYSA-N 437.717 5.569 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)cc2)cc1 2330952971 RVVBAZSLKDMNCB-XZOQPEGZSA-N 432.903 5.954 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3ccccc3OC)cc2)cc1 2331051438 RPZFOSNGBJWBNB-UHFFFAOYSA-N 444.527 5.918 30 10 IKEE O=[N+]([O-])c1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CCCC2)cc1 2331092923 XPSYKDSQSGLRLI-UHFFFAOYSA-N 441.944 5.672 30 10 IKEE Oc1ccccc1C=Nn1c(SCc2ccc(Cl)cc2Cl)nnc1C1CCCC1 2331093076 KXMQIGIMNPNQKA-UHFFFAOYSA-N 447.391 6.123 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)c1cccc(OCC)c1 2331183406 GSIUWWSTTXBSCP-UHFFFAOYSA-N 442.511 5.938 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccn3)c(OCC)c2)cc1 2331309012 MKLJBBGEBWSCFS-UHFFFAOYSA-N 431.488 5.384 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)CCCOc3ccccc3)c(Cl)c2)c1 2331319726 CGJLJKZSGFAEMU-UHFFFAOYSA-N 448.946 6.618 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)COc1ccc(C)c(C)c1 2331348967 FYKWOAYSKNMBFH-UHFFFAOYSA-N 448.490 5.640 30 10 IKEE CCCOc1ccccc1C=Nn1c(CC(C)C)nnc1SCc1cccc(F)c1 2331443266 DQGOIUZQGJHNGS-UHFFFAOYSA-N 426.561 5.579 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cccc4ccccc34)cc2Cl)cc1C 2331472546 DDZNORGGQBNFKO-UHFFFAOYSA-N 440.926 7.225 30 10 IKEE COc1cc(C=Nn2c(CC(C)C)nnc2SCc2c(F)cccc2Cl)ccc1O 2331480639 BGGABAQEARTFCV-UHFFFAOYSA-N 448.951 5.158 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)ccc1OC(=O)C(C)(C)C 2331601602 MKTKTSBUAHPSAR-UHFFFAOYSA-N 430.500 6.335 30 10 IKEE Cc1cc(NC(=O)OC(C)(C)C)cc(Nc2cc(B3OC(C)(C)C(C)(C)O3)cc(C)n2)c1 2337026979 YPEVBPRQBYBRRC-UHFFFAOYSA-N 439.365 5.088 30 10 IKEE CCN(CCCCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2339578050 AUNUUQQUMWNOAM-CCEZHUSRSA-N 446.397 5.142 30 10 IKEE Cc1ccccc1CSCc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1 2377314458 GIIKEISMKGGTNO-UHFFFAOYSA-N 433.220 5.490 30 10 IKEE CC(C)c1ccc([C@H]2N=C(Nc3nc4ccccc4s3)NC3=C2C(=O)CC(C)(C)C3)cc1 19642018 FDPANFPGIXGRHS-HSZRJFAPSA-N 444.604 6.175 30 10 IKEE COc1cccc(CSc2nnc(NN=C(Cc3ccccc3)Cc3ccccc3)[nH]2)c1 20908905 HGMYZHYTLWYGHJ-UHFFFAOYSA-N 443.576 5.359 30 10 IKEE COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)cc1 21244106 SVZADJPLPLXSFD-WGDIFIGCSA-N 430.935 6.328 30 10 IKEE O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(NC(=O)c2ccccc2)cc1 28357350 LVLZFUDZTRNARB-JQIJEIRASA-N 438.439 6.003 30 10 IKEE COc1cc(/C=C\C(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 34954118 LIDJTOSHWNAQAY-PXNMLYILSA-N 428.528 6.416 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OCc3c(F)c(F)c(F)c(F)c3F)ccc2C1=O 39754229 LVQWJMXWNITUDB-IUXPMGMMSA-N 448.343 5.586 30 10 IKEE COc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN(Cc2ccc(C)cc2)C3)C1=O 41586935 JWAGLQXSYDJUHP-CFRMEGHHSA-N 427.500 5.280 30 10 IKEE CC(=O)C1=C(C)Nc2nc(SCc3ccccc3F)nn2[C@H]1c1c[nH]c2ccccc12 54643111 KRCDQCXEEXSZPW-NRFANRHFSA-N 433.512 5.069 30 10 IKEE COc1cc(/C=N/Nc2cc(Cl)ccc2Cl)ccc1OCc1ccc(C(=O)O)cc1 59165211 CLDVOUDKAVBWKV-BRJLIKDPSA-N 445.302 5.725 30 10 IKEE CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(F)cc3)c2C(=O)Nc2ccccc2)C1 59720430 MDAYYFUJQRQZSO-GBYSFBBLSA-N 434.580 7.041 30 10 IKEE CCCCCCCOc1ccc(NCC(=O)Nc2ccc(C(=O)NCCC)cc2)cc1 100077752 BPXRDMXOMDJKTO-UHFFFAOYSA-N 425.573 5.226 30 10 IKEE CC(C)c1ccc(/C=C2/Oc3cc(OS(=O)(=O)c4ccc(F)cc4)ccc3C2=O)cc1 103022559 ONROZUZEQWWBJL-YDZHTSKRSA-N 438.476 5.333 30 10 IKEE COc1ccccc1/C=C1/Oc2cc(OCc3c(F)c(F)c(F)c(F)c3F)ccc2C1=O 110527053 LVQWJMXWNITUDB-CAOOACKPSA-N 448.343 5.586 30 10 IKEE CCCOc1c(Br)cc(/C=N/Nc2ccc(C)c(Cl)c2)cc1OCC 169879511 HMCDJFFAMYNCGC-WSDLNYQXSA-N 425.754 6.044 30 10 IKEE COc1ccc(/C=N\Nc2nc(-c3ccc(C)cc3)cs2)cc1OCc1ccc(C)cc1 169940797 SMOOGQDWBYUQOO-DICXZTSXSA-N 443.572 6.461 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2cccs2)cc1C 169985912 ORLCGWSCIZTISB-FQEVSTJZSA-N 439.920 5.501 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@H]2c2cccs2)c1 169986637 ITRGQHYWHVHTEU-FQEVSTJZSA-N 439.920 5.501 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccccn2)c1 169991718 RQMSUBKZMPJRTE-XMMPIXPASA-N 442.515 5.387 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2cccnc2)ccc1F 170005542 JIWBAFGWAZUYRO-NRFANRHFSA-N 436.870 5.274 30 10 IKEE CCCCCCCCCCN1C(=O)C(SCc2ccco2)=C(c2cccs2)C1=O 170017696 JAZGXRDOHXMGCJ-UHFFFAOYSA-N 431.623 6.495 30 10 IKEE CC(C)Oc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 170053754 WIFXADXSRHUMTC-HSZRJFAPSA-N 447.918 5.910 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2c[nH]c3ccccc23)cc1 170075218 ALIPAEFBWMDDNF-HSZRJFAPSA-N 442.902 5.913 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)o1 170101725 ZWEOJGWLJCXNRW-JOCHJYFZSA-N 435.907 5.950 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2cccs2)c1 170158454 VXVHSHSEENVUCN-QHCPKHFHSA-N 447.556 5.935 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2cccs2)c1 170160368 BHMOGFRTBYKZTF-HSZRJFAPSA-N 441.508 5.698 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccs2)cc1C 170161630 QGXQNKFWMLBDRP-HSZRJFAPSA-N 447.556 5.937 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccncc2)c1 170200459 GPVDSCREVVAJCG-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C2CCCC2)cc1 170246164 DOLVMFNNSUDQLT-SANMLTNESA-N 443.587 6.210 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(CC)cc2)c1 170265362 DUSNFEWNMVTBBX-XMMPIXPASA-N 427.500 5.431 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1ccc(CC)cc1 170268395 CXULVYJDOCIMOZ-OSPHWJPCSA-N 433.548 5.341 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2C)cc1 170271198 GTAXQHSFNURPAU-QHCPKHFHSA-N 431.463 5.316 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccco2)cc1C(C)(C)C 170283531 JWUKJYHOKLFFOJ-QFIPXVFZSA-N 447.487 5.074 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccco1 170286213 GHNPAAZITZOGLA-GOSISDBHSA-N 444.270 5.378 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(C)o2)cc1C(C)(C)C 170310771 ZEPWCVOQXYBAHT-QFIPXVFZSA-N 437.536 5.415 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCC)c1 170323604 BECMXAYCIVVFJV-XMMPIXPASA-N 429.516 5.617 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(C)c(C)c2)ccc1OC 170440088 IAAUARBOIMYLKS-JOCHJYFZSA-N 437.536 5.226 30 10 IKEE Cc1cccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(OC(F)(F)F)cc2)c1 170458595 QIRCWRNMAIEVGB-FQEVSTJZSA-N 433.426 5.409 30 10 IKEE CC(C)Oc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCc2ccc(F)cc2)cc1 170474226 YZJBWQCVTGEAJI-HSZRJFAPSA-N 449.478 5.027 30 10 IKEE Cc1ccc(OCCCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1 170522186 AUXVSMQCZOGXEM-UHFFFAOYSA-N 436.511 6.591 30 10 IKEE C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@@H](C)CCC[C@@](C)(O)CC)C[C@@H](O)C[C@@H]1O 206404328 QRBVGIIEIQPZJM-PLTLSWMSSA-N 430.673 6.095 30 10 IKEE CC[C@H](C)Oc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 253572712 QMYZHVOKBCTQRT-UFLBVARNSA-N 444.600 6.905 30 10 IKEE COc1cccc(/C=C2/SC(=Nc3ccc4ccccc4c3)N(C3CCCCC3)C2=O)c1 254384518 PTZPIXCZGJHVMI-UYJNXHFOSA-N 442.584 6.785 30 10 IKEE CC(=NOCc1cccc(C(=O)/N=S(\C)c2ccc(C)cc2)c1)c1ccc(Cl)cc1 254489504 WLIUNBBXCNVURV-UHFFFAOYSA-N 438.980 6.220 30 10 IKEE C=C(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3[C@@](C)(CO)[C@H](O)CC[C@@]34C)[C@@H]12 256965883 RFCPTXGFYWKJJB-ZEFQNVRNSA-N 442.728 6.997 30 10 IKEE COc1cccc(OCCn2cc(C=N/N=c3/[nH]c4ccccc4s3)c3ccccc32)c1 263630915 IXCFPPQOBDPXBE-UHFFFAOYSA-N 442.544 5.207 30 10 IKEE O=C(Nc1cc(Br)cc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1F 327123255 ILBBKFZGZAYRCT-UHFFFAOYSA-N 430.117 5.878 30 10 IKEE C=CCN(Cc1nc(O)c2oc3ccccc3c2n1)Cc1cc(Br)ccc1F 502176531 UTKFMYTZUVKFQT-UHFFFAOYSA-N 442.288 5.171 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(O)c(Cl)c2)c1 526514042 ASOHZJNCETWTPL-HSZRJFAPSA-N 446.890 5.373 30 10 IKEE Cc1ccc(SC2=C(Nc3ccccc3C)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 526662694 HULWCBJAIROJDU-UHFFFAOYSA-N 425.513 5.164 30 10 IKEE Cc1ccc(SC2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccccc3C)C2=O)cc1 526662773 LJBCNFFCZGHZIK-UHFFFAOYSA-N 425.513 5.164 30 10 IKEE Cc1cc(C)cc(CSc2nnc(CCc3ccccc3)n2/N=C\c2cccs2)c1 526808953 DOQJMLOHXWFDLA-XYGWBWBKSA-N 432.618 5.916 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1ccccc1OCC(C)C 526809864 WKXGXWWXXKPDQK-YSMPRRRNSA-N 436.625 6.057 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCSc2ccccc21 698488954 MYAQTLZGSNNRMP-OAQYLSRUSA-N 445.382 6.105 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1ccc(C(C)(C)C)s1 698489513 POAFBKWSBNUWGT-MRXNPFEDSA-N 449.414 6.814 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@H](C#N)c1cc(F)ccc1Br 698854666 YGUFFYSCJAMEBQ-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@@H](C#N)c1cccc(OCc2ccccc2)c1 698987029 GVQYTCCITHKUHV-DEOSSOPVSA-N 432.495 6.411 30 10 IKEE C=CCC1([C@H](Cc2ccc(Br)cc2Cl)NC)CN(C(=O)OC(C)(C)C)C1 722919952 FGQVEFZPXQZCKS-KRWDZBQOSA-N 443.813 5.046 30 10 IKEE C#CCNC(=S)/C(=C(/O)c1cc(Cl)ccc1Cl)[n+]1ccc(C(CC)CC)cc1 759055415 UMAZHWCFEJEWLQ-UHFFFAOYSA-O 434.412 5.619 30 10 IKEE Brc1ccc(C=Nc2ccc3nc(SCc4ccccc4)sc3c2)o1 1083980830 FHCFDHPVOAYCHY-UHFFFAOYSA-N 429.364 6.695 30 10 IKEE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1C=NNc1cc(Cl)ccc1Cl 1084514082 SPEDAOKYRXARSF-UHFFFAOYSA-N 449.254 5.058 30 10 IKEE COC(=O)c1c(N=Cc2cc(OC)c(OC)c(OC)c2)sc(Cc2ccccc2)c1C 1084627568 HKSGMMOVLSBPGV-UHFFFAOYSA-N 439.533 5.210 30 10 IKEE CCCN(CCC)S(=O)(=O)c1cccc(-c2csc(NN=Cc3ccccc3)n2)c1 1772723785 GGYGVKNUHYBGJK-UHFFFAOYSA-N 442.610 5.067 30 10 IKEE O=C(ON1C(=O)c2ccccc2C1=O)[C@@H](Sc1ccc(F)c(Cl)c1)c1ccccc1 1772789535 ARUHEMBUDZADBM-IBGZPJMESA-N 441.867 5.067 30 10 IKEE Fc1cc(-c2c(F)c(F)c(F)c(F)c2F)cnc1-c1c(F)c(F)c(F)c(F)c1F 1848358657 SIUVQROSABNVCU-UHFFFAOYSA-N 429.188 5.946 30 10 IKEE N#Cc1cccc(COc2cccnc2NC(=O)CC(c2ccccc2)c2ccccc2)c1 1858754257 MFJZREAJDVOVDA-UHFFFAOYSA-N 433.511 5.693 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 1859456431 SOYGVNIOEOCEEY-UHFFFAOYSA-N 434.580 5.396 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)c2cc3c(ccc4ccccc43)o2)nc2ccccc12 1859750112 KQFCRAOFIWYCTJ-UHFFFAOYSA-N 443.466 5.752 30 10 IKEE CC(C)c1ccnc(Nc2ccc(-c3csc(-c4ccc(Cl)cc4)n3)cc2)c1C#N 1859862417 CEWNHTADZIDZGN-UHFFFAOYSA-N 430.964 7.264 30 10 IKEE CCCCCCCCCNC(=O)[C@@H](C)Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 1860269447 DCQGXDWKHVRZNU-QGZVFWFLSA-N 448.003 5.959 30 10 IKEE O=C(/C=C/c1ccc(F)c(F)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1 1860726314 ULXBURXYEAMMAH-UUILKARUSA-N 427.834 5.418 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cccc(C)c1 1861807970 JJOASDXMPRDXFO-VWLOTQADSA-N 440.603 5.732 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2cccc(F)c2)cc1C 1862402002 OOQRCZZGCKJLBN-DEOSSOPVSA-N 445.490 5.230 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2Cl)cc1C 1862402788 HRULKOALZHWDNB-NRFANRHFSA-N 425.912 5.178 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862453095 RNXMAAYUDUIIJE-BBATYDOGSA-N 449.290 5.278 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2cc(Cl)cc(Cl)c2)ccc1F 1862507885 BHMMDQUCSXLAOI-LJQANCHMSA-N 436.310 5.675 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(OC(C)C)c(OC)c1 1862541882 VMAPQVUJBYXJFA-HSZRJFAPSA-N 437.536 5.033 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1ccccc1C 1862638944 NMULNFGFCQJKEO-JOCHJYFZSA-N 425.500 5.301 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc(Cl)cc2)cc1F 1862641747 ZYBSQIJBVVBKJE-HXUWFJFHSA-N 431.891 5.112 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2cccc(O)c2)cc1 1862661006 BENWLJTUSIVCJV-RUZDIDTESA-N 445.559 5.984 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(N(C)C)cc1 1862714921 PLNRGWVWPLMRCN-XMMPIXPASA-N 428.532 5.140 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(Cl)cc2)C1=O 1862790776 GHZYWMYPHZWGIJ-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3cc(Cl)ccc3Cl)C2=O)cc1 1862897834 JBDZICPKGORXLU-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE CCOc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccccc3Cl)C2=O)cc1 1863067945 JIESWCZGACHCGU-UHFFFAOYSA-N 443.890 5.007 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(OC)cc2)=C(c2ccc(C)cc2)C1=O 1863263012 PFKNQXTUMBDAER-UHFFFAOYSA-N 448.607 6.336 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(Cl)c2)=C(c2cc(C)ccc2C)C1=O 1863396813 RKICTBZBNLEINN-UHFFFAOYSA-N 438.999 6.509 30 10 IKEE Cc1cc(C2=C(Nc3ccccc3C#N)C(=O)N(Cc3ccccc3Cl)C2=O)ccc1F 1863469341 DURJIOFSWBUKQY-UHFFFAOYSA-N 445.881 5.051 30 10 IKEE C=CCOc1ccccc1OCC(=O)Nc1sc(-c2ccccc2)cc1C(=O)OCC 1865773205 ONJSNLFPBQSVES-UHFFFAOYSA-N 437.517 5.174 30 10 IKEE N#Cc1cc(Br)c(NC(=O)c2ccc(C(F)(F)F)cc2)c(Br)c1 1865962030 GPDGSLVNNLDTKA-UHFFFAOYSA-N 448.036 5.354 30 10 IKEE Cc1ccc(-c2nc(Nc3cccc(C#N)c3)cc(N3CCc4nc[nH]c4[C@@H]3C(C)C)n2)cc1 1868311880 DPXZOPQYMHLESJ-SANMLTNESA-N 449.562 5.550 30 10 IKEE CCCc1nc(Nc2ccc(C#N)cc2)cc(N2CCS[C@@H](c3ccc(OC)cc3)C2)n1 1868400842 GZRKOLIPPOTLIS-JOCHJYFZSA-N 445.592 5.347 30 10 IKEE CCCCCCCCCCn1cc(OCCO)c(=O)cc1CNc1ccc(Cl)cc1 1870791321 POMDALCDPNRLGM-UHFFFAOYSA-N 435.008 5.626 30 10 IKEE C=CCn1cc(OCCCOc2ccc(CC)cc2)c(=O)cc1CNc1ccc(CC)cc1 1870880884 GQCLLKPCVHEDMB-UHFFFAOYSA-N 446.591 5.619 30 10 IKEE CCCCCCCCn1cc(OC)c(=O)cc1CNc1ccc(Br)c(C)c1 1870997385 ONMCTSYVAARMDM-UHFFFAOYSA-N 435.406 5.900 30 10 IKEE C#CCOc1cn(CCCCCC)c(CNc2ccc(OCc3ccccc3)cc2)cc1=O 1871008984 XPZMQHGFPGRQMI-UHFFFAOYSA-N 444.575 5.632 30 10 IKEE C=CCn1cc(OCc2ccc(C)cc2)c(=O)cc1CNc1ccc(OCCCC)cc1 1871205065 ABCWRJYQLAQDAL-UHFFFAOYSA-N 432.564 5.713 30 10 IKEE COc1cccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2cc(C)ccc2C)C4)c1 1871348996 MTWKWOXHFOGTHY-MXAYSNPKSA-N 441.527 5.589 30 10 IKEE CC(=O)Nc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2Cl)C3=O)c1 1871365083 NFCRGCDPCMVRTE-XKZIYDEJSA-N 447.874 5.442 30 10 IKEE Cc1cc(OC(=O)Cc2ccc(Cl)c(Cl)c2)cc2c1C(=O)/C(=C/c1ccccc1)O2 1871376862 HXVSKDCBBPHCGB-NHDPSOOVSA-N 439.294 6.066 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(O)c3CN(C3CCCCC3)C3CCCCC3)C2=O)cc1 1871393257 YXNMYLKWYMKWCT-IMRQLAEWSA-N 445.603 6.784 30 10 IKEE Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccccc2)C3=O)c(C)c1 1871402446 IUZFXXYGINGFAK-ZOLHPDHPSA-N 441.527 5.942 30 10 IKEE Cc1cc(O[C@H](C)C(=O)Nc2ccccc2)cc2c1C(=O)/C(=C/c1ccc(Cl)cc1)O2 1871404046 HJBZYKQIDWZHTG-NXUSMQHESA-N 433.891 5.671 30 10 IKEE COC(=O)c1ccc(/C=C2\Oc3cc(OCCCOc4cccc(C)c4)ccc3C2=O)cc1 1871405670 MLNNGNHJIRDIJQ-XYGWBWBKSA-N 444.483 5.246 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccccc4C)c3C)C2=O)c1 1871409391 MYPYYSAPMXYLBK-OQLNFPPLSA-N 427.500 5.634 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(O[C@@H](C)C(=O)Nc3cccc(C)c3C)ccc2C1=O 1871413207 BWUUFKDTDCCFOF-ILRHRSLTSA-N 427.500 5.634 30 10 IKEE Cc1cccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2)C3=O)c1C 1871413882 PZQXAMRDPPYBBD-QCYAWUEASA-N 427.500 5.634 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc3ccccc3c2)cc2c1C(=O)/C(=C/c1ccco1)O2 1871419686 NVKSYOCMVYSDKU-QRVIBDJDSA-N 425.440 5.375 30 10 IKEE Cc1cc(OCCC(=O)OCCC(C)C)cc2c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O2 1871429150 KGQNOGLMBKYJMW-IWIPYMOSSA-N 436.548 6.093 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCCC(=O)Nc4ccc(C)cc4)c3C)C2=O)cc1 1871432551 KSNBCWJIZADRRH-JLPGSUDCSA-N 427.500 5.636 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O)NC1CCCCC1 1871438404 XSHMZEUUUGRZAN-FBHDLOMBSA-N 446.330 5.437 30 10 IKEE CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871448011 GBXMROARRZJHAN-XLFQKYORSA-N 445.446 5.051 30 10 IKEE Cc1cccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)c1C 1871459622 UMMGNGUTGSQJEO-FMCGGJTJSA-N 447.918 5.899 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 1871834298 BFKZQDOPQLHVJX-HSZRJFAPSA-N 428.598 5.184 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@@H](C)CC 1872613324 OLLXCILEBIHQIU-GHTZIAJQSA-N 445.069 5.290 30 10 IKEE N#C[C@H](C(=O)CCCOc1ccccc1Cl)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1872760754 XFUHIUKLQRGRMP-MRXNPFEDSA-N 441.896 5.407 30 10 IKEE COc1ccc(C)cc1-c1csc([C@H](C#N)C(=O)/C=C/c2ccc(Cl)c(Cl)c2)n1 1872771119 MMWGUIVDUXCJEP-BIENSFFJSA-N 443.355 6.324 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc1C 1872783921 LNTXFVTWODFCOX-LJQANCHMSA-N 446.532 5.425 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(NC(C)=O)cc2)=C(c2ccccc2C)C1=O 1873305451 FIQPCKKRLNOCDG-UHFFFAOYSA-N 447.579 5.506 30 10 IKEE Cc1cc(C)c(C2=C(Nc3ccccc3C#N)C(=O)N([C@H](C)c3ccccc3)C2=O)c(C)c1 1873329049 FQIVWFIJROECII-HXUWFJFHSA-N 435.527 5.437 30 10 IKEE Cc1cc(C)c(C2=C(Nc3ccccc3C#N)C(=O)N(C3CCCCCCC3)C2=O)c(C)c1 1873331248 BEOBHMJZGCTRLF-UHFFFAOYSA-N 441.575 5.788 30 10 IKEE CCCCCOc1ccc(/C=N/Nc2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)cc1 1873526473 HFJQYWUFMUXSGA-AFUMVMLFSA-N 445.350 5.554 30 10 IKEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3ccccc3OCCC)c(=O)oc2c1 1873926664 QBDMPTRNUMSGNL-UHFFFAOYSA-N 435.520 5.416 30 10 IKEE CSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(Cl)cc1 1874203736 QFEQNTJMBNHHJX-ZVBGSRNCSA-N 427.744 5.421 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2/N=C/c2cccc(OC)c2OC)CC1 1874287503 IIBQPSSIXOLAIY-KOEQRZSOSA-N 444.645 6.144 30 10 IKEE Clc1ccc(CSc2nnc(COCc3ccccc3)n2/N=C/c2ccccc2)cc1 1874354311 CVUIVCJAXOVXGA-CVKSISIWSA-N 448.979 5.823 30 10 IKEE COc1cc(/C=N/n2c(SCc3cccc(C)c3)nnc2-c2ccccc2)ccc1O 1874426481 KSUFYAJFBSQANC-MFKUBSTISA-N 430.533 5.142 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc(O)cc1 1874440832 VZTVOJYPFUQZBL-WYMPLXKRSA-N 449.407 6.054 30 10 IKEE CC(C)COC(=O)CSc1nnc(CC(C)(C)C)n1/N=C/c1ccc(C(C)C)cc1 1874440844 WMNVQQBUKUHFHI-ZMOGYAJESA-N 430.618 5.164 30 10 IKEE Clc1ccc(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2cccc(Cl)c2)cc1 1874449686 JIVDICUAQFOFIW-KCDOPAPYSA-N 433.364 5.611 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C2CC2)c(F)c1 1874523533 UIIDIAUPJBVEMO-PGGKNCGUSA-N 439.318 5.915 30 10 IKEE COc1cccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2ccc(C)c(C)c2)c1 1874573213 BDDFKFCFHPDUDX-WYMLVPIESA-N 445.515 5.234 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCc2ccccc2C)cc1 1874574034 RHUOXEFXYVXRFY-FOCLMDBBSA-N 448.990 7.475 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1cccc(Cl)c1 1874577534 SSSJEZPCNVAFKR-PKNBQFBNSA-N 440.326 6.215 30 10 IKEE C=C(C)COc1ccc(Br)cc1/C=C/C(=O)c1cc(Cl)ccc1Cl 1874591438 KDUIUHJCNYDYLR-XVNBXDOJSA-N 426.137 6.607 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1ccc(-c2ccccc2)cc1 1874592817 DCZKTBWHVGPQAD-WOJGMQOQSA-N 435.479 6.737 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2cccc(OCC(=O)NCc3ccccc3)c2)cc1 1874596775 CKYNHLGQTQQQKJ-SFQUDFHCSA-N 427.544 5.575 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1cccc(OCc2ccccc2F)c1 1874599239 CBLFLLYYGUGRMX-MDZDMXLPSA-N 431.290 6.616 30 10 IKEE C=CCOc1c(OC)ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1Br 1874601139 WCXKWMYZPMNOOB-XBXARRHUSA-N 442.136 6.225 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3nccs3)c2)c2ccccc12 1874601179 XPDKIIZQEBWSSG-PKNBQFBNSA-N 444.512 5.219 30 10 IKEE Cc1ccccc1COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 1874620772 SANVVOYHHBBGTL-RMKNXTFCSA-N 431.444 5.150 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1Cl)Nc1ccc(F)cc1 1874625206 RHJFKEVUASZZLM-QQDOKKFESA-N 427.834 5.532 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 1874629721 QMJUQTWIUXRXKQ-NTEUORMPSA-N 429.516 5.534 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3C)c(Br)c2)cc1C 1874633304 VYWPXECITNEUDC-FMIVXFBMSA-N 435.361 6.849 30 10 IKEE C=C(C)COc1ccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc1Br 1874638724 OPRSTBMCIPUOPW-DHZHZOJOSA-N 437.333 6.462 30 10 IKEE CCc1ccccc1OCC(=O)Oc1cccc(/C=C/C(=O)c2ccc(OC)c(OC)c2)c1 1874694253 UEPOGOOHWBMZHI-WYMLVPIESA-N 446.499 5.147 30 10 IKEE COc1cccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c(F)c3)c2)c1 1874706929 HDPANFGYQOHZRA-FMIVXFBMSA-N 434.463 5.277 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OC(=O)c1ccc(F)cc1F 1874709660 MYGNJJNYAIMCMA-KRXBUXKQSA-N 430.353 5.367 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc1OC(=O)c1ccccc1 1874715208 IOIWLMFERXGFAC-PKNBQFBNSA-N 436.891 5.781 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)cc2Cl)cc1 1875097150 XJVMIXVESLNELO-MKMNVTDBSA-N 446.930 6.343 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(OC)c1OC(=O)Cc1cccs1 1875103089 LFZBYUIEJIPHSJ-SDNWHVSQSA-N 446.568 6.092 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Br)c1OC(=O)C1CCC1 1875126814 XNIUATZLTHSDGQ-BJMVGYQFSA-N 449.728 5.713 30 10 IKEE O=C(Cc1cc(Cl)ccc1Cl)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1Cl 1875128190 RRMKOPJTHJGJBS-UXBLZVDNSA-N 445.729 6.691 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OCC)cc3)cc2)cc1 1875129867 XSYYHGZYQTYJQO-CNHKJKLMSA-N 446.499 5.365 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(OC)c3)c(Cl)c2)cc1 1875129916 ZZGCSSPKKNBYMF-NTUHNPAUSA-N 436.891 5.863 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)c(Cl)c2)c(C)c1 1875131550 DAQHJVCAGYXJHJ-UXBLZVDNSA-N 449.890 6.289 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)CCc1cccc(OC)c1 1875136495 BMEJFAXNJUXRND-XNTDXEJSSA-N 444.527 5.837 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OCCC)cc2)cc(OC)c1OC(=O)C1CCC1 1875139257 ZTKOFQXIANVKHR-XNTDXEJSSA-N 434.532 5.814 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1)c1ccc2c(c1)OCCO2 1875147382 XDGUUIVULKOGBZ-GXDHUFHOSA-N 436.463 5.726 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC(=O)c1cccnc1 1875149084 XQZWGFLCDHTEDO-MDWZMJQESA-N 445.515 5.512 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)cc1)c1ccc2c(c1)OCO2 1875149813 JKKCHSZYPUNYKJ-GLMDRDPRSA-N 446.886 5.674 30 10 IKEE CC(C)(C)CC(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1Br 1875150991 PBHBKQSFZKXPLU-QPJJXVBHSA-N 445.309 5.416 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1ccccc1OC 1875176895 PXWHYUTVKDFQMK-SDNWHVSQSA-N 430.500 5.826 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)[C@H](CC(C)C)CC(F)(F)F)cc21 1890141038 MYAGMWZKWMOLEU-OAHLLOKOSA-N 426.479 5.177 30 10 IKEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1cc(C(F)(F)F)ccc1Cl 1891645112 FZFHZQHTXGQEBI-UHFFFAOYSA-N 435.751 5.190 30 10 IKEE C=C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)([C@@H](C(=O)O)C(C)C)C(C)(C)C 1927528050 IAFQREWMXYNOOA-KCWPFWIISA-N 435.564 5.853 30 10 IKEE CC(C)(C)OC(=O)N(C1CCC1)[C@@H](C#N)c1cc(Br)ccc1Br 1935890358 DWGBXEZPFWESLM-HNNXBMFYSA-N 444.167 5.566 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 1944693968 DILLWRVIPZGCGG-UYAOXDASSA-N 429.561 5.276 30 10 IKEE C[C@@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)[C@H](OCc2ccccc2)C1 2043778241 XYKBTNXRELYDGY-GNMGOMLTSA-N 440.628 6.614 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1(C)C 2053042343 APWUDCNZUFMFCD-VOIUYBSRSA-N 447.551 5.400 30 10 IKEE CC(C)(C)c1nn([C@H](c2ccc(C3CC3)cc2)C(C)(C)C)c(Br)c1/C=N/O 2079068787 DKFQZKJQPRILQZ-NZYROCMPSA-N 432.406 6.264 30 10 IKEE COC(=O)c1cnc2c(-c3ccc(C(F)(F)F)cc3F)c(C(F)(F)F)nn2c1Cl 2081508148 QEKLZIDWKAKXMK-UHFFFAOYSA-N 441.690 5.013 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]([C@](C)(C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 2082162631 UGSLXHQKAJPEOB-OSWMTFESSA-N 447.551 5.543 30 10 IKEE CCCCCC#CC[C@H](N)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2083431448 SJQNCDVUDCZHPE-DEOSSOPVSA-N 441.660 5.237 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@H](C#N)c1c(F)cc(Br)cc1F 2114283311 NHCVVSGKLFSCTE-OAHLLOKOSA-N 443.313 5.791 30 10 IKEE CC(C)C[C@@H]1CNCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2149841919 JDDIHJMXMIGCQF-IERDGZPVSA-N 436.394 5.109 30 10 IKEE C=CCC1(Nc2ccc([N+](=O)[O-])cc2Br)CCN(C(=O)OC(C)(C)C)CC1 2162330226 WLMKPFHYFYUXAC-UHFFFAOYSA-N 440.338 5.115 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CCC2)C[C@H]1CNc1cc(Br)c(C#N)cc1F 2162340904 CSHFXFNVHNJLFN-AWEZNQCLSA-N 438.341 5.051 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@@](C#N)(Nc3ccccc3Br)C[C@@H]21 2166974125 PPJLOTPDRDCVJU-FYINFDKHSA-N 434.378 5.323 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1sc(C)c(C)c1Br 2221832402 NMQIEZXFNKPPOU-HOCLYGCPSA-N 431.440 5.638 30 10 IKEE CCCN[C@@H](C#CC(C)(C)C)c1ccc(Br)cc1I 2225433969 NNTBEZMXYPODCD-HNNXBMFYSA-N 434.159 5.144 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1c(F)cc(F)cc1F 2235812631 BLTIKGFHHBPIIW-INIZCTEOSA-N 441.247 5.873 30 10 IKEE CCCCCCCC[C@H](N)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237410642 YBYHJXCYYYTCBE-PMACEKPBSA-N 441.454 5.963 30 10 IKEE CCCCCCC[C@@H](NC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237421187 BUIYJPCYZHHKAN-WOJBJXKFSA-N 441.454 5.833 30 10 IKEE CC(C)(C)OC(=O)NCc1cc(F)cc(Nc2cc(Br)c(C#N)cc2F)c1 2280502495 XWGISZWJMMXQAI-UHFFFAOYSA-N 438.272 5.367 30 10 IKEE C=CCCC[C@H](NCCC)[C@](C)(O)c1cc(Br)c(Br)s1 2281280080 LXAQKPXNFWLQIJ-WFASDCNBSA-N 425.230 5.205 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NC)c1cc(Br)cc(C(C)(C)C)c1 2288664000 RLQSVCZEWIXDFT-RBUKOAKNSA-N 437.422 5.314 30 10 IKEE O=C1NC(=Nc2cccc(Cl)c2Cl)SC1=Cc1ccc(N2CCCCCC2)o1 2293987324 ZTACLTQPBXAYSE-UHFFFAOYSA-N 436.364 5.858 30 10 IKEE C=CCN1C(=O)C(=Cc2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)SC1=S 2293999059 SPXVCTXEEQGIGY-UHFFFAOYSA-N 439.631 5.293 30 10 IKEE O=C1C(=Cc2ccc(F)cc2)Oc2cc(OCc3c(F)c(F)c(F)c(F)c3F)ccc21 2314438248 MMOFHRWSMPXJQA-UHFFFAOYSA-N 436.307 5.716 30 10 IKEE CCN1C(=O)C(=Cc2ccc(OCc3ccccc3Cl)cc2)SC1=Nc1cccnc1 2314541404 LFQAGZIDJYELTJ-UHFFFAOYSA-N 449.963 5.938 30 10 IKEE CC[C@]1(C)N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1C 2315231907 QETOPUMCNKYMFM-DQEYMECFSA-N 443.588 5.808 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Cl)cc(Br)c1F 2315456519 SRTBOOKMGAAGJM-ZBFHGGJFSA-N 435.765 5.362 30 10 IKEE CCCCCCCCCOc1ccc(C=Nn2c(SC)nnc2C(C)C)c(Cl)c1 2318417913 KAZIOBPCVHOZAU-UHFFFAOYSA-N 437.053 6.788 30 10 IKEE Clc1ccccc1COc1ccccc1C=Nn1cnnc1SCCc1ccccc1 2321295739 XDQYFZBRRDQBII-UHFFFAOYSA-N 448.979 5.728 30 10 IKEE Cc1ccc(COc2cc(C)c3c(c2)OC(=Cc2cc(Cl)cc4c2OCOC4)C3=O)cc1 2321744076 OSLIDRFQMVFGKT-UHFFFAOYSA-N 448.902 6.019 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OCc3c(F)c(F)c(F)c(F)c3F)cc(C)c2C1=O 2321813550 LCNCDAIAIFYGJC-UHFFFAOYSA-N 446.371 6.194 30 10 IKEE COc1ccc2nc(C=Nn3c(SCc4ccccc4F)nnc3C(C)C)ccc2c1 2321847411 VUSBEJBDHDHLBA-UHFFFAOYSA-N 435.528 5.272 30 10 IKEE CCOc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccccc2F)C4)cc1 2322056886 JACOPJNQZZLAQT-UHFFFAOYSA-N 445.490 5.501 30 10 IKEE C=CCOc1c(C=CC(=O)c2ccc(OCCC)c(OCCC)c2)cc(Cl)cc1OC 2322502863 UGKLCQKNZJRDJU-UHFFFAOYSA-N 444.955 6.387 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OC(=O)c4cc5ccccc5o4)ccc3C2=O)cc1 2322839828 PIDLKRAZXDFFTN-UHFFFAOYSA-N 426.424 5.667 30 10 IKEE O=C(C=Cc1ccc(F)cc1)Oc1ccc2c(c1)OC(=Cc1c(F)cccc1Cl)C2=O 2323044023 AXBPCGIFXNVGOE-UHFFFAOYSA-N 438.813 5.853 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OC(=O)CC4CCCCC4)c3C)C2=O)c(OC)c1 2323485723 ZZBRJPSPKPRFPQ-UHFFFAOYSA-N 436.504 5.504 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 2323675820 RXXDBQSVBJLDJX-UHFFFAOYSA-N 438.823 5.632 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(C)c2)C3=O)c(OC)c1 2323774993 MKZUYOCEGAWAMA-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2OC)C3=O)cc1 2323829737 NFOXLOGRFULDBT-UHFFFAOYSA-N 444.483 5.628 30 10 IKEE Cc1ccc(-c2csc(NN=Cc3ccc(OCCCc4ccccc4)cc3)n2)c(C)c1 2323850818 NTMGWJHVDXOQCQ-UHFFFAOYSA-N 441.600 6.885 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(F)cc2)c(Cl)c1)c1ccc(Cl)c(Cl)c1 2323882102 CNKAAXKBHIHTOQ-UHFFFAOYSA-N 435.709 7.261 30 10 IKEE CC(C)C(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1 2323933589 NXFVNIHMCGSJPU-UHFFFAOYSA-N 446.430 5.223 30 10 IKEE CCCNC(=O)COc1c(Cl)cc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OCC 2324169541 BMRNGJOVDAXXGW-UHFFFAOYSA-N 443.971 5.663 30 10 IKEE O=C(C=Cc1ccc(OCc2c(F)cccc2Cl)c(Cl)c1)c1ccc(F)c(F)c1 2324241508 WLQSINHZZASILD-UHFFFAOYSA-N 437.244 6.886 30 10 IKEE COc1cc(C(=O)C=Cc2ccc(OCc3cccc(Cl)c3)cc2)c(OC)cc1Cl 2324405744 USHNUTXCZHZSSY-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE Cc1cccc(COc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2Br)c1 2324450431 UJJHDGPIZXYOQI-UHFFFAOYSA-N 435.361 6.849 30 10 IKEE COc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1ccccc1)C2=O 2324473784 GHZLEZSFDKQKGT-QGZVFWFLSA-N 429.472 5.026 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccccc2F)C3=O)cc1 2324478188 FTZBHYLEASOFOY-KRWDZBQOSA-N 445.490 5.719 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OCCc2ccccc2)c([N+](=O)[O-])c1 2324574804 PJQPDBHSECKXSZ-UHFFFAOYSA-N 443.543 6.718 30 10 IKEE N#C[C@@H](C(=O)C=Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2cccs2)cs1 2324589000 OLFSHJYVECENGS-NRFANRHFSA-N 442.565 6.340 30 10 IKEE COc1ccc(C=C2Oc3cc(OCc4cc(C)c(C)cc4C)ccc3C2=O)cc1OC 2324762468 DUHHBFWKYQXZLG-UHFFFAOYSA-N 430.500 5.824 30 10 IKEE Cc1c(Cl)cccc1NC(=O)COc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O 2325053089 NWINEGWHQQBNBT-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2325552763 XXMAVDINKPLVTM-UHFFFAOYSA-N 433.896 5.106 30 10 IKEE COc1cccc(COc2cc(C)c3c(c2)OC(=Cc2cc(OC)ccc2OC)C3=O)c1 2325690830 GZHPWZGTCXBDNG-UHFFFAOYSA-N 432.472 5.216 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OC(=O)Cc1cc(C)ccc1C 2325741081 FINCZOUVWQASHJ-UHFFFAOYSA-N 432.491 5.804 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2cccc(OC(=O)C34CC5CC(CC(C5)C3)C4)c2)cc1 2325746470 CZJGECSMMVJQJT-UHFFFAOYSA-N 442.599 7.002 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(C)c(C)c3)c2)c(OC)c1OC 2325787053 FFEYPNSCDPHEEP-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE CCOc1ccc(C=Nn2c(CC)nnc2SCc2cc(C)cc(C)c2)cc1OCC 2326409363 MOWRJLCWKFGTKT-UHFFFAOYSA-N 438.597 5.429 30 10 IKEE Cc1[nH]c2ccccc2c1C=Nn1c(C)nnc1SCc1ccc(Cl)cc1Cl 2326698930 OQOZRLDDPUWJMH-UHFFFAOYSA-N 430.364 5.858 30 10 IKEE Cc1ccc(OCCCc2nnc(SCc3ccccc3)n2N=Cc2ccc[nH]2)cc1 2327186015 RNTWMMYFMAYATN-UHFFFAOYSA-N 431.565 5.101 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3[N+](=O)[O-])n2N=Cc2cccs2)cc1 2328438841 MLQMVJRCHKUYJB-UHFFFAOYSA-N 449.561 5.322 30 10 IKEE Cc1ccc(C=Nn2c(CCOc3ccccc3)nnc2SCc2cccc(F)c2)cc1 2329174786 KEAHTWBGHCZJAX-UHFFFAOYSA-N 446.551 5.522 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1ccccc1OCCC 2329422049 UJEDXUJTCAROOI-UHFFFAOYSA-N 434.609 5.825 30 10 IKEE COc1ccccc1C=Nn1c(SCc2ccc(C)cc2)nnc1[C@@H](C)c1ccccc1 2330051017 RJQIQPGCCRKYOL-FQEVSTJZSA-N 442.588 5.921 30 10 IKEE C(=Nn1c(CC2CCCCC2)nnc1SCc1ccccc1)c1c[nH]c2ccccc12 2330270083 QUYIDVQNEPBELT-UHFFFAOYSA-N 429.593 6.057 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3cccc(OC)c3)cc2Cl)c1 2330783011 RYCKNEJMAOYESZ-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3cccc(OC)c3)cc2OC)cc1 2330800218 FZKMYRXYEONOQD-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)Cc1ccccc1 2330899784 QSIGJVRSTZVKGT-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE CSc1nnc(C2CCCC2)n1N=Cc1c(OCc2ccccc2)ccc2ccccc12 2331015972 PSWCFTUFSJSRDX-UHFFFAOYSA-N 442.588 6.272 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccn2)c(Br)c1)c1cccc(Cl)c1 2331123573 QTKSIBGZNBLEBB-UHFFFAOYSA-N 442.696 5.613 30 10 IKEE COc1cc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2)cc(OC)c1OC 2331215975 HSUPLGAJMAEJPZ-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE COC(=O)c1ccc(CSc2nnc(C(C)(C)C)n2N=Cc2cccc3ccccc23)o1 2331394385 AKABCRZUWUPODY-UHFFFAOYSA-N 448.548 5.283 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccccc1F 2331411924 QWHAQDSFGHDAOL-UHFFFAOYSA-N 437.371 6.196 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3F)c(Cl)c2)cc1F 2331454113 YKMCFGOTOAYCRA-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OC(=O)c3cccc(F)c3)c(Cl)c2)c1C 2331646687 UHXPKJQRBOCEMK-UHFFFAOYSA-N 436.910 6.828 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)COc3ccc(C)c(C)c3)cc2)c(C)c1 2331764307 BJTTXGLEGFXYKR-UHFFFAOYSA-N 428.528 6.109 30 10 IKEE CC1(C)OB(c2ccc(Oc3ccc(Br)cc3Cl)c(C#N)c2)OC1(C)C 2364928117 PHFNUQROOGAPRN-UHFFFAOYSA-N 434.526 5.066 30 10 IKEE CO[C@@H](C#C[C@H](O)c1cc(NC(=O)OC(C)(C)C)ccc1Br)C1CCCC1 2369515026 IJVWSBBZZKCFLL-OALUTQOASA-N 438.362 5.038 30 10 IKEE CCc1nc(C#N)cc(Oc2cc(NC(=O)OC(C)(C)C)c(C)cc2Br)n1 2370354203 BNKDBHLIFNZAJT-UHFFFAOYSA-N 433.306 5.121 30 10 IKEE Cc1cc(C)c(NS(=O)(=O)c2ccc(/N=C/c3cccc4ccccc34)cc2)c(C)c1 12583319 WWQDDGCUARYSJO-WPWMEQJKSA-N 428.557 6.316 30 10 IKEE Cc1cc(C)nc(N/C(=N\C(=O)Nc2ccc(Cl)cc2)NCc2ccccc2Cl)n1 14156845 ZOMDKUIWTYSSAO-UHFFFAOYSA-N 443.338 5.190 30 10 IKEE C=C(C)C/N=c1\scc(-c2ccc(OC)cc2OC)n1/N=C/c1c(C)[nH]c2ccccc12 15980838 OKNAUPWBZRSTJX-HJQQBXHUSA-N 446.576 5.383 30 10 IKEE O=C1C[C@H](c2ccccc2Cl)CC2=C1[C@@H](c1cc(F)ccc1F)Nc1ccccc1N2 21250358 DBLYXEQZABJMMY-DLUDVSRJSA-N 436.889 6.598 30 10 IKEE CCOc1cc(/C=N\Nc2ncnc3sc4c(c23)C[C@H](C(C)(C)CC)CC4)ccc1O 33097087 AHQKVZCGGJHCHU-TWILBZOKSA-N 438.597 5.783 30 10 IKEE C#CCOc1c(Cl)cc(/C=C2/SC(Nc3cc(C)cc(C)c3)=NC2=O)cc1OCC 33349642 KODLHJUTWZDHFO-DEDYPNTBSA-N 440.952 5.450 30 10 IKEE O=C(/C=C\c1cccc(NC(=O)c2ccccc2)c1)c1cccc(NC(=O)c2ccccc2)c1 33388087 IPWLHYSXJOKDFW-ZCXUNETKSA-N 446.506 6.087 30 10 IKEE O=C1/C(=N\Nc2c3ccccc3nc3ccccc23)c2ccccc2N1CCN1CCCCC1 39557508 PGCZINXUTDBVHI-QVTSOHHYSA-N 449.558 5.037 30 10 IKEE C=CCOc1ccc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2Cc2ccco2)cc1 39910880 HXXRWVDLTSIOTK-HSZRJFAPSA-N 441.483 5.313 30 10 IKEE C=CCOc1cccc([C@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2Cc2ccco2)c1 39910901 LKMBLAXDVQBZHJ-QHCPKHFHSA-N 441.483 5.313 30 10 IKEE C=CCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@@H]1c1cccc(OCCCC)c1 39913433 YRRPOICMBWEIEY-QFIPXVFZSA-N 437.923 5.665 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCc4c(F)c(F)c(F)c(F)c4F)c3C)C2=O)cc1 41435955 OQHIXZNPANPKJQ-MFOYZWKCSA-N 446.371 6.194 30 10 IKEE CCc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3ccccc3OC)C4)C2=O)cc1 41588091 YPLKSDXPACPGIY-MXAYSNPKSA-N 441.527 5.534 30 10 IKEE C=CCn1c([C@H](Cc2ccccc2)NC(=O)c2ccc(Cl)cc2)nc2ccc(OC)cc21 43255450 LCCICCODWWWBJD-QHCPKHFHSA-N 445.950 5.598 30 10 IKEE O=[N+]([O-])c1ccc(/C(=N/OCCOc2ccccc2)[C@H]2C[C@@H]2c2ccc(Cl)cc2)cc1 59503115 NKAJMJNCVXJYNQ-LQLOLFGWSA-N 436.895 5.852 30 10 IKEE Cc1ccc(NC(=O)c2cnn3c2NC2=C(C(=O)CC(C)(C)C2)[C@H]3c2ccccc2)cc1C 64874270 MRFWWEHVTHVRCV-XMMPIXPASA-N 440.547 5.410 30 10 IKEE Cc1ccc(-c2csc3nc(-c4ccccc4)n(Cc4cccc(C#N)c4)c(=O)c23)cc1C 96527258 SXCOSDJQTRVSBL-UHFFFAOYSA-N 447.563 6.329 30 10 IKEE CCCCCCCN1C(=O)C[C@@H](C(=O)Nc2ccc(F)cc2)S/C1=N\c1ccccc1 100171594 LCVNENOKFIBKDE-AQTDBHCXSA-N 441.572 5.756 30 10 IKEE O=C(Nc1cccc(Cl)c1)[C@@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2ccccc2)S1 100404116 DHQCSNGHWQFJRY-AQTDBHCXSA-N 449.963 5.501 30 10 IKEE COCCN1C(=O)/C(=C\c2ccc(OC(F)F)cc2)S/C1=N\c1ccc(Cl)cc1 102926925 LVAYEQLTNCFIGP-HXFVGRMDSA-N 438.883 5.192 30 10 IKEE COc1c2c(cc3c1[C@H](CC(/C=C/[C@@H]1C(C)=CCCC1(C)C)=N\O)N(C)CC3)OCO2 138592395 SVSPODGIYWQUSW-KESILYMXSA-N 426.557 5.112 30 10 IKEE COc1c(Br)cc(/C=N/Nc2ccc(Cl)cc2)c(OC)c1Br 169878881 UHTQGWFGVZLXDB-UFWORHAWSA-N 448.542 5.328 30 10 IKEE CCCCCOc1ccc(/C=N\n2c(S)nnc2CCc2ccccc2)cc1OCC 169911303 HVQBPNYCGIKDNN-BWAHOGKJSA-N 438.597 5.202 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccc(F)cc2)cc1 169922002 MTLZJFYHCURSBX-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE CCCN1C(=S)N[C@@H](c2ccc(OCc3ccccc3Cl)cc2)C2=C1CCCC2=O 169930192 FMVYSQITQQTGHS-QHCPKHFHSA-N 440.996 5.567 30 10 IKEE COc1ccccc1-c1csc(N/N=C\c2ccc(OC(C)C)c(Br)c2)n1 169940396 DLGULUBJGQWVFJ-JJFYIABZSA-N 446.370 5.814 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3ccc(C)cc3C)cs2)cc(Cl)c1OC(C)C 169940755 IBEXODSSXFQISV-ROTLSHHCSA-N 444.000 6.712 30 10 IKEE COc1ccc(/C=N\Nc2nc(-c3ccc(C)c(C)c3)cs2)c(Br)c1O 169942299 LGLAAPKLQGPEEP-NKVSQWTQSA-N 432.343 5.350 30 10 IKEE COc1ccc(/C=N\Nc2nc(-c3ccccc3)c(C)s2)c(Br)c1OC 169942327 LMPOKMCWLNGCFD-NHDPSOOVSA-N 432.343 5.344 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc(C)c(C)c2)=C(O)C(=O)N1c1ccc(C)c(C)c1 169943130 UZJSRAKXLHWMFI-VWLOTQADSA-N 441.527 5.712 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1cccs1 169985990 MTXPWSOULLSGLU-IBGZPJMESA-N 443.883 5.332 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(O)c(Cl)c2)c1 170040797 YAFLIEXANICDBW-QFIPXVFZSA-N 433.891 5.445 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccccc2)c1 170047483 UZTZFMDIHCFQST-XMMPIXPASA-N 439.467 5.614 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2ccccc2)cc1C 170052422 XKHIMLWQHQFKKW-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)c1 170057801 PKBGDMQENZPWKI-JOCHJYFZSA-N 435.882 5.879 30 10 IKEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(Cl)cc1 170060150 GZRGAAWDNWTZNB-HSZRJFAPSA-N 448.950 5.023 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccc(C(C)C)cc2)cc1 170067475 LXMWEMFGEGISKQ-DEOSSOPVSA-N 426.516 5.292 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2cccc(F)c2)c1 170140337 SWLNUAMBERIQGD-UPCLLVRISA-N 443.474 5.240 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1cccs1)c1cccc2ccccc12 170155791 VEUDERCLOOKKAD-QFIPXVFZSA-N 429.472 5.823 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3c(OC)cccc3OC)[C@H]2c2cccs2)cc1 170157043 NYHJOAAHXIDBAK-JOCHJYFZSA-N 449.528 5.111 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2cccnc2)cc1C 170185410 MBZGTSXCHQMPIM-XMMPIXPASA-N 442.515 5.107 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccncc2)cc1C 170204266 XSIOBWCRIMLBCT-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccccc2)cc1 170223120 GTQLQNFJKJYIBV-QFIPXVFZSA-N 435.426 5.146 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)[C@H]2c2ccccc2)cc1 170227276 FBBFKZCTELOYTL-HSZRJFAPSA-N 443.886 6.178 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@@H]1c1ccccc1 170232885 YXPBRXIWBCXFIO-QHCPKHFHSA-N 435.564 5.761 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(Cl)cc2)c1 170235113 VBLAYCSTSFODIX-JOCHJYFZSA-N 449.890 5.140 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1ccc(F)cc1)c1cccc2ccccc12 170239230 UKKGPHWUSSIWIU-XMMPIXPASA-N 439.442 5.467 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccco2)cc1C 170289873 GPQIDKKIBNXVAI-QHCPKHFHSA-N 442.471 5.031 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccco1 170293117 HGWFNNIOIVYHHX-JOCHJYFZSA-N 437.536 5.497 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2ccc(C)c(C)c2)o1 170301735 HRSSXLFTDXSMIU-RUZDIDTESA-N 437.495 6.141 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccc(C)o2)c1 170301978 IEIOGSQFGRXONY-HSZRJFAPSA-N 431.488 5.386 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1F)c1ccco1 170381591 SVDJDFIWHVTDDD-SFHVURJKSA-N 432.234 5.508 30 10 IKEE CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3cccc(C)c3)sc2c1 170462290 TVJHONBUCZXZSJ-QFIPXVFZSA-N 434.561 5.682 30 10 IKEE Cc1ccc2c(c1)C(=O)/C(=C\c1cn(-c3ccccc3)nc1-c1ccc3c(c1)OCCO3)O2 213993115 RKYKLAQXFBKJBB-MFKUBSTISA-N 436.467 5.235 30 10 IKEE C=C(C)[C@@H]1CC[C@@]2(C)CC[C@@]3(C)[C@H](CC[C@H]4[C@]3(C)CC[C@H]3[C@](C)(CO)[C@@H](O)CC[C@]43C)[C@@H]12 253533543 RFCPTXGFYWKJJB-DUPAVFKLSA-N 442.728 6.997 30 10 IKEE C=CCn1c(-c2ccccc2)c(NC(=O)c2ccc(OC)cc2)sc1=Nc1ccccc1 254624117 LMFCZCOORQASEX-UHFFFAOYSA-N 441.556 5.896 30 10 IKEE Cc1ccc(N=Cc2c(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc3ccccc23)cc1 254630593 MEGGNNHBYKJZGM-UHFFFAOYSA-N 446.484 5.575 30 10 IKEE CSc1nnc(-c2ccco2)n1N=Cc1ccc(COc2ccc(Cl)c(C)c2)o1 254765660 UKLKXFMYMPTYFS-UHFFFAOYSA-N 428.901 5.276 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)s1)NCCC 406631950 IOFDHGSJWSCTJF-CVEARBPZSA-N 431.440 5.281 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)ccc1Br)NCCC 407501967 LNVGXSRRKCTYFV-ZWKOTPCHSA-N 445.829 5.483 30 10 IKEE CC/N=C1\C[C@@H]2Oc3cc(NCC)c(C)cc3[C@H](c3ccccc3C(=O)OCC)[C@@H]2C[C@H]1C 504679302 YLTLQPNBMWEMHP-VMCHVFNGSA-N 448.607 6.003 30 10 IKEE CCOc1cc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccc(C)c2)ccc1OC 526487033 SXIYNWRSIDMBSF-VWLOTQADSA-N 440.499 5.331 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3cccc4ccccc34)[C@H]2c2ccccc2C(=O)O)cc1 526491692 OHZPJJODAIBDLL-RUZDIDTESA-N 446.462 5.467 30 10 IKEE CCCOc1ccc(/C=N\n2c(CC)nnc2SCc2cc(C)cc(C)c2)cc1Cl 526809340 CETHWFUKMQEZTO-QFEZKATASA-N 443.016 6.074 30 10 IKEE COc1cc(/C=N\n2cnnc2SCc2ccc(Cl)c(Cl)c2)cc(Cl)c1O 526813216 ZWXGNHWVYONKID-HOEBFWFUSA-N 443.743 5.127 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1c(O)ccc2ccccc12 526823817 VASXQDJNEDVSBL-MYKKPKGFSA-N 443.359 5.927 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)Nc3ccc(C)cc3)C2)c1 585881348 WPDZOGPFBXEJBH-QHCPKHFHSA-N 434.584 5.259 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)c3ccccc3Cl)C2)c1 586003123 YVQRASBYZIGVQT-HXUWFJFHSA-N 439.987 5.212 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCO[C@@H](C(F)(F)F)C1 698456325 NFLKOKDNFWOUBR-PBHICJAKSA-N 449.267 5.194 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1ccc(C(C)(C)C)s1 698457713 QZLJVDUIECDUIN-INIZCTEOSA-N 449.414 6.814 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@H](C#N)c1ccc(Cl)c(Br)c1 698867093 OXDMLZNLCLLZLE-INIZCTEOSA-N 441.778 6.166 30 10 IKEE CCCCCCC[C@](C)(CN)N(C(=O)OC(C)(C)C)c1ccccc1Br 700525274 SVHSXJHLXBJEPM-OAQYLSRUSA-N 427.427 6.269 30 10 IKEE CCOc1ccc(N=C2S[C@@H](C(=O)Nc3ccc(C)c(Cl)c3)CC(=O)N2CC)cc1 1084508890 OIMHTPWAOIIFDX-LJQANCHMSA-N 445.972 5.027 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=Nc1nnc(C)s1 1772734585 CRVZYFBJQHHSQV-BNCGLULESA-N 442.953 5.550 30 10 IKEE C=CCOc1ccccc1/C=C1\SC(=Nc2cccnc2Cl)N(c2ccccc2)C1=O 1772736619 YUJHOPSDVMIXGB-FWMAWXJYSA-N 447.947 6.108 30 10 IKEE Nc1cc(-c2c(F)c(F)c(F)c(F)c2F)cnc1-c1c(F)c(F)c(F)c(F)c1F 1848358310 GMNMWQVZJTZPKH-UHFFFAOYSA-N 426.213 5.389 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2cccc(C)c2)cc1 1862389887 PVBUDMXLZQOPSR-VWLOTQADSA-N 449.591 5.731 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2ccc(CC)cc2)cc1 1862390561 GTXTUKFRANLQDP-VWLOTQADSA-N 449.591 5.333 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(CCCC)cc3)=C(O)C(=O)N2CCC)cc1 1862395268 WNBUPBWVLPDFLT-RUZDIDTESA-N 449.591 6.196 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2cccc(Cl)c2)cc1C 1862403180 POEWODSEDGQWCB-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@@H]2c2cccc(F)c2)cc1 1862430897 VGBJMKITNCJUGO-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccccc1Cl)c1ccccc1Cl 1862432343 BYKQGBUFVSBUIF-HXUWFJFHSA-N 439.298 5.167 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc(Cl)c1)c1ccccc1Cl 1862432429 DUPSUKDTDKAQIS-LJQANCHMSA-N 428.271 5.365 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(F)cc1F)c1ccccc1Cl 1862432437 DYZNHHNGBMMEJL-OAQYLSRUSA-N 439.845 5.397 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc3c(c2)OCCO3)cc1 1862479981 VIFZRDZXRLPRNJ-XMMPIXPASA-N 447.531 5.067 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2cccc3ccccc23)cc1 1862480659 LKUIWPMEOQXBKG-MHZLTWQESA-N 447.534 6.235 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc(Br)cc2)cc1 1862487846 KUEYBKQNGFPMDA-FQEVSTJZSA-N 442.353 5.382 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)cc1 1862489203 RLEXEXFROHUXGK-RZPHLTDDSA-N 431.576 6.023 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862510782 FUVFUPXDQNSFEV-IBGZPJMESA-N 446.862 5.074 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(C)cc2)cc1 1862514918 NFOBLNMPYNDDBO-DEOSSOPVSA-N 433.548 5.695 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN3CCCC3)[C@@H]2c2ccccc2C)cc1 1862534865 YDTJZQAIEHMCLE-RUZDIDTESA-N 446.591 5.012 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccccc1)c1ccc2c(c1)CCCC2 1862543734 NQIKIKIVYUNQOI-AREMUKBSSA-N 437.539 5.386 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(F)c1 1862582009 UJJKPORGNXSWBY-LJQANCHMSA-N 436.310 5.901 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1cccc(Cl)c1 1862616733 DHCBJFANSMJKEZ-OAQYLSRUSA-N 441.955 5.252 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(O)c(O)c1)c1ccc2ccccc2c1 1862711768 BYRFHGMEYPBZJO-DEOSSOPVSA-N 443.499 5.162 30 10 IKEE CCCCCCCCNC1=C(c2ccc(C)c(C)c2)C(=O)N(Cc2ccc(OC)cc2)C1=O 1863599782 WVFZKIPHAHKDMY-UHFFFAOYSA-N 448.607 5.542 30 10 IKEE CCCCCCCCNC1=C(c2cccs2)C(=O)N(CCc2ccc(OC)cc2)C1=O 1863797931 FDPYZDDYAWCHPR-UHFFFAOYSA-N 440.609 5.029 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N1CCNC[C@H]1c1ccccc1 1866342678 UOEREPBDZFSQSR-MHZLTWQESA-N 428.705 7.421 30 10 IKEE C[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C#N)cc1)c1ccc(Cl)cc1 1866717274 WAVCVKGDZGBDRJ-KOSHJBKYSA-N 445.950 5.071 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)cc2Cl)c(=O)cc1CN1C[C@@H](C)C[C@@H](C)C1 1870346277 HOXVBKZXWHFNMD-CALCHBBNSA-N 435.395 5.398 30 10 IKEE CCCCCCCCn1cc(OCCCCCCC)c(=O)cc1CN1C[C@@H](C)O[C@H](C)C1 1870413251 XAVBQDYFJBXFNF-DNQXCXABSA-N 448.692 6.167 30 10 IKEE C=CCn1cc(OCC2CCCCC2)c(=O)cc1CNc1ccc(Br)cc1C 1870912920 CKYSCXTXFGSFQM-UHFFFAOYSA-N 445.401 5.676 30 10 IKEE Cc1c(OC(=O)C(c2ccccc2)c2ccccc2)ccc2c1O/C(=C\c1ccccc1)C2=O 1871371860 MTEHWVHFITZCCS-XHPQRKPJSA-N 446.502 6.349 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc3C2=O)c1 1871388194 KCKFHNYKJRGXJS-OYKKKHCWSA-N 430.456 5.318 30 10 IKEE Cc1ccc(OCCOc2ccc3c(c2C)O/C(=C\c2ccc4c(c2)OCO4)C3=O)cc1 1871405935 NIKSMNQWDDASAM-OYKKKHCWSA-N 430.456 5.106 30 10 IKEE CCCOC(=O)[C@H](CC)Oc1ccc2c(c1)O/C(=C\c1cn(CC)c3ccccc13)C2=O 1871435177 YNFRYOOUHPIHOZ-XYUXXQEKSA-N 433.504 5.388 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C(C)C)cc4)cc(C)c3C2=O)o1 1871435288 CSWWHEWOOSVMJM-FMCGGJTJSA-N 431.488 5.654 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2sccc2C)C3=O)cc1 1871450099 BCQFZLNWYUMPAP-GMPVXANTSA-N 447.556 6.204 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(Cl)cc4C)ccc3C2=O)cc1 1871454260 FWAIMFQXSKDFAP-FMCGGJTJSA-N 449.890 5.291 30 10 IKEE CCCCc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871454973 DOJNSBICVAZSSP-MYYYXRDXSA-N 445.490 5.802 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1ccccc1 1872220228 WIGQZSUFIFRGFK-QHCPKHFHSA-N 442.625 5.358 30 10 IKEE C=CCN([C@@H](CC(C)C)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1872245797 YUXCFBVTXZMSCV-QHCPKHFHSA-N 442.625 5.150 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 1872760539 QVHKYOCJZYVGPP-PZVJUEDKSA-N 428.557 5.977 30 10 IKEE CC(C)(C)c1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 1872763866 XTBGLXPSTAJSGT-JCRIEJSWSA-N 431.517 5.905 30 10 IKEE N#C[C@@H](C(=O)c1cccc(Oc2ccccc2)c1)c1nc(-c2ccc(Cl)cc2)cs1 1872767380 YLJDQVDQWNZTCG-NRFANRHFSA-N 430.916 6.746 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)[C@H](C#N)c1nc(-c2ccc3c(c2)OCO3)cs1 1872772890 JELFNNWESXPWOI-NSHDSACASA-N 447.299 5.344 30 10 IKEE COc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1OC 1872773483 OPMSLYKKZCPMQS-VLUHHTHFSA-N 446.572 6.014 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(Cl)c(C)c3)n2)cc1F 1872775187 LNNSEWBYWYMFIE-HNNXBMFYSA-N 430.888 5.175 30 10 IKEE CCCCCCCCCCN1C[C@@H](C(=O)N(Cc2ccncc2)C2CCCC2)CC1=O 1873022503 SIJHZHLHQLVFHD-QHCPKHFHSA-N 427.633 5.342 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC(C)C)=C(c2c(Cl)cccc2Cl)C1=O 1873093467 GXYJFCSQJRBGII-UHFFFAOYSA-N 439.427 6.212 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(CCCC)cc1)n2Cc1ccccc1 1873612996 RDQIAJLOVKFADW-UHFFFAOYSA-N 439.563 5.672 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](C)Oc1cc2oc(=O)c(C)c(C)c2cc1Cl 1873934897 CRXVSHBGZPXZJR-GOSISDBHSA-N 435.992 6.087 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1c2ccccc2C(=O)N(C(C)C)[C@H]1c1ccccc1 1873935422 PSSFNDCPHGZSHW-SVBPBHIXSA-N 448.651 6.633 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1/N=C/c1ccncc1 1874195089 XDJFYRWSHZAMGM-NLRVBDNBSA-N 435.597 5.143 30 10 IKEE Fc1ccc(CSc2nnc(COc3cc(F)ccc3F)n2/N=C/c2ccco2)cc1 1874260060 FYFRKMMWEVGKMX-OPEKNORGSA-N 444.438 5.042 30 10 IKEE CCCCC1CCC(c2nnc(SC)n2/N=C/c2ccc(OCC)c(OC)c2)CC1 1874286175 SNQZJLUTLGDATB-LFVJCYFKSA-N 430.618 5.754 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3F)n2/N=C/c2ccccc2)cc1C 1874320982 UCSXMJNUXGDUKL-JFLMPSFJSA-N 446.551 5.788 30 10 IKEE C=C(C)CSc1nnc(Cc2ccccc2F)n1/N=C/c1c(OC)ccc2ccccc12 1874375796 NSMGCHSRHHPPFJ-JFLMPSFJSA-N 446.551 5.720 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccncc1 1874376724 KRQJNHUUVVAMQT-VULFUBBASA-N 437.931 5.231 30 10 IKEE Oc1ccccc1/C=N/n1c(Cc2ccc(F)cc2)nnc1SCc1cccc(F)c1 1874377626 GDORHOIIXBFKNI-VULFUBBASA-N 436.487 5.027 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2-c2ccccc2)c(OC)c1 1874426610 QKPQKRJCRYZGSE-WGOQTCKBSA-N 444.560 5.445 30 10 IKEE CN(C)c1ccc(/C=N/n2c(SCc3ccccc3F)nnc2-c2ccccc2)cc1 1874428470 KMBHOJQWQGJKMS-WGOQTCKBSA-N 431.540 5.325 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2-c2ccco2)cc1O 1874467499 LVFORJYKYMGYSQ-AFUMVMLFSA-N 442.500 5.277 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C(C)C)cc1OC 1874514281 QLWWHJQBZMRODO-ZMOGYAJESA-N 444.988 5.637 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Br)cc(Br)c2OC)c1 1874572195 AOJJUBYAHQEOKW-VOTSOKGWSA-N 426.104 5.125 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2cc(C)ccc2C)cc1 1874575943 ONNRDWFTKMENAH-XYOKQWHBSA-N 449.934 5.879 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(Cl)cc2/C=C/C(=O)c2cccc(Cl)c2)o1 1874577400 MDORJCIBTAJFQT-RMKNXTFCSA-N 445.298 6.238 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(Cl)cc2)c1OCC(=O)N[C@H](C)c1ccccc1 1874578593 WPYSGNRGWYLRIG-IYICPGQYSA-N 449.934 5.501 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)c1OCc1ccc(C)cc1 1874588993 OFRYYNFEHPZECP-OUKQBFOZSA-N 436.935 6.449 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)cc2)cc1 1874604034 RKOHAJURRNMFIX-LICLKQGHSA-N 425.528 5.787 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc(Br)c1OC 1874606574 VPOABGRCPORSID-QPJJXVBHSA-N 430.125 6.059 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(OC)c(OCc2cccc(F)c2)c(OC)c1 1874620067 HHAUCADFQFEWDY-MDZDMXLPSA-N 436.479 5.635 30 10 IKEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)cc1Cl 1874636246 QYHGVBFUGQHONJ-RMKNXTFCSA-N 436.335 5.145 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)c2)cc1 1874694684 PAUICHCNJSFRAS-XNTDXEJSSA-N 444.487 5.339 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccccc2-c2ccccc2)c1)c1ccc(F)cc1F 1874699703 IQRPIIHINRATIY-DTQAZKPQSA-N 440.445 6.747 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OC(=O)COc1c(C)cccc1C 1874702555 XFQUSRQWXZEDAE-JLHYYAGUSA-N 444.527 5.809 30 10 IKEE CCOc1cccc(C(=O)Oc2cccc(/C=C/C(=O)c3cc(Cl)ccc3OC)c2)c1 1874718257 LMQUFQMQCVARIC-ZRDIBKRKSA-N 436.891 5.863 30 10 IKEE C=CCN(CC=C)CCC(=O)c1cccc(OC(=O)c2ccc(-c3ccccc3)cc2)c1 1874730456 UECNFOQKWKWZTE-UHFFFAOYSA-N 425.528 5.820 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3cccc(Cl)c3)cc2)cc1 1875123498 PIGPRPLALFHLLN-LFIBNONCSA-N 434.919 6.173 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OC(=O)c1cc(C)cc(C)c1 1875127011 KMIWANCNHGKJEA-ZHACJKMWSA-N 434.919 6.471 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)COc1c(C)ccc(C)c1C 1875129286 TVRPKAAXHFJYOS-WYMLVPIESA-N 430.500 5.501 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1OC(=O)Cc1ccccc1 1875136147 ZQDNUUQZMYWAOF-SDNWHVSQSA-N 445.471 5.346 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 1875137317 GXEZQYBIDXHHQG-FZSIALSZSA-N 431.444 5.499 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 1875137323 HDDZAWKONJPONC-UFWORHAWSA-N 442.555 6.888 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1 1875148578 IMPZQKSCZJGKPC-VIZOYTHASA-N 448.946 6.761 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)c1ccccn1 1875181792 XRKNORAWDJYJBH-CMDGGOBGSA-N 435.907 5.784 30 10 IKEE CCN(CC)c1cccc(OCC#CCNC(=O)c2ccccc2-c2ccc(C)cc2)c1 1891679243 RRCBXQMIWIDMGQ-UHFFFAOYSA-N 426.560 5.320 30 10 IKEE C#CCC1(NC(=O)[C@H](CC)NC(=O)OCC2c3ccccc3-c3ccccc32)CCCCC1 1901480134 BXKLEBFBOQYEPC-VWLOTQADSA-N 444.575 5.146 30 10 IKEE C#C[C@@H](NC(=O)[C@H](CC)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCC1 1901481160 AHEGDKYVMADWCY-FTJBHMTQSA-N 444.575 5.002 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1cc(Cl)ccc1I 1922090186 WYZVXAYGUIXGRX-IBGZPJMESA-N 441.740 5.368 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCC[C@@H]1NC(=O)OC(C)(C)C 1943896945 WICMMQWFNBCEAG-CYFREDJKSA-N 429.561 5.466 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC[C@@]2(C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 2009501007 ZSABEPHQMGAMBF-DEOSSOPVSA-N 433.593 5.240 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)C[C@H](C)C1 2041559984 NWPMXJANDUVGBR-IQGLISFBSA-N 443.588 5.666 30 10 IKEE N#Cc1c(C(F)F)nn([C@H](c2ccc(C3CC3)cc2)C2CC2)c1I 2079094806 WWXLALRNZNKJAY-MRXNPFEDSA-N 439.247 5.174 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H](c2c(C3CCCCC3)nn3c(Cl)c(C#N)cnc23)C1 2081504507 LTHRUEULMMQYRG-INIZCTEOSA-N 443.979 5.417 30 10 IKEE CN(CCN(Cc1ccccc1)[C@H]1CCC(C)(C)[C@](C#N)(NC2CC2)C1)Cc1ccccc1 2099187747 FTUXWCBPIYKTGM-YTMVLYRLSA-N 444.667 5.214 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)Cc2cc(Cl)c(C)c(Br)c2)C1 2126626315 RTXQKLJAMHOYMZ-UHFFFAOYSA-N 442.781 5.384 30 10 IKEE C=CCN(C[C@@H](NCCC)c1cc(C)c(Br)cc1C)C(=O)OC(C)(C)C 2136379990 QFDOAAMVXVCRQW-LJQANCHMSA-N 425.411 5.530 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@@H](Nc3ccc(C#N)c(Br)c3)C[C@H]21 2166985928 WQRKBCFGRLXZSO-LSBZLQRGSA-N 434.378 5.301 30 10 IKEE CC(C)c1ccccc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2174248059 SCWDZGMTIXJNPY-HXUWFJFHSA-N 429.358 6.579 30 10 IKEE CCCN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(Br)cc1C#N 2174815789 XFBGAMKPQSNXFM-MRXNPFEDSA-N 436.394 5.184 30 10 IKEE CC(C)(C)OC(=O)NC[C@H](Nc1cc(Br)cc(F)c1C#N)c1ccccc1 2179669810 OKGINVFWTQBVFK-SFHVURJKSA-N 434.309 5.138 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCC[C@H]2CCCC[C@@H]21 2201124354 SMZYTSXMCCVMQG-JLHGSKIFSA-N 433.390 6.443 30 10 IKEE CC(C)(C)OC(=O)NCCCc1cccc(Nc2ccc(C#N)cc2Br)c1 2204096210 PBVTTYRTWKWSEN-UHFFFAOYSA-N 430.346 5.522 30 10 IKEE C=C(CC)C[C@H](NCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229110737 TUEIVNSCQWCPPL-OALUTQOASA-N 425.411 5.219 30 10 IKEE CCCCCCCCC[C@H](CO)N(C(=O)OC(C)(C)C)c1ccccc1Br 2235392346 FTIIEUOWBZVHAK-GOSISDBHSA-N 442.438 6.692 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)[C@@H](CC(C)C)NC(=O)OC(C)(C)C 2235718354 LNWGXJCQFANCCP-VQTJNVASSA-N 437.422 5.108 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCC2)C[C@H]2CCCC[C@H]21 2246643966 AZEWYXQBYRYFNE-YJLYGGOZSA-N 433.593 5.238 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)C1(C#N)[C@H]2CCC[C@H]1CC(NC(=O)OC(C)(C)C)C2 2249322305 XSKDFZUIASWZDV-PVTCUJNXSA-N 435.609 5.388 30 10 IKEE Cc1c(Nc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)ccc(Br)c1Cl 2283005679 MJQIXWUCUWEQMH-UHFFFAOYSA-N 437.574 5.036 30 10 IKEE CCCCCCCCOc1ccc(C=C2SC(=Nc3ccc(Cl)cc3)NC2=O)cc1 2296114300 VZSYPWDRMWQWJW-UHFFFAOYSA-N 443.012 6.971 30 10 IKEE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(=Cc1cn(C)c3ccccc13)C2=O 2296590713 JZYRRUGSSNMNQZ-UHFFFAOYSA-N 425.440 5.022 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3cc(OCc4ccccc4Cl)ccc3C1=O)cn2C 2296596593 RKJRSYUEALDFKR-UHFFFAOYSA-N 445.902 6.036 30 10 IKEE C=CCN1C(=O)C(=Cc2cccc(OC(=O)c3ccc(C(C)(C)C)cc3)c2)SC1=S 2297625068 VOJURYHECUUSRG-UHFFFAOYSA-N 437.586 5.591 30 10 IKEE CN(CCCB1OC(C)(C)C(C)(C)O1)Cc1c(Br)cccc1Br 2302144611 SXHBAQSTCRMHFW-UHFFFAOYSA-N 447.020 5.126 30 10 IKEE O=C1NC(=Nc2cccc(Cl)c2Cl)SC1=Cc1cc([N+](=O)[O-])ccc1Cl 2313541795 ZQUFEXACWYLTCS-UHFFFAOYSA-N 428.684 5.447 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C)NCCC 2321066398 ANKYZDWCVLMRBA-HJOGWXRNSA-N 444.660 5.847 30 10 IKEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2321344377 JVMAUDNQUWHNSJ-SRGWNRLKSA-N 447.551 5.495 30 10 IKEE CCSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1N=Cc1ccco1 2321359203 ZLHTWEPHVYWIKU-UHFFFAOYSA-N 425.341 5.184 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(ccc(OCc4ccc(C)cc4)c3C)C2=O)cc1 2321745668 DZMSCWVJUTZBRC-UHFFFAOYSA-N 427.544 6.345 30 10 IKEE O=C1C(=Cc2ccc(F)cc2)Oc2c1ccc1c2CN(CCc2ccc(Cl)cc2)CO1 2321928046 QIYVCHHVJJRADX-UHFFFAOYSA-N 435.882 5.490 30 10 IKEE COc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(CCC1=CCCCC1)C3 2322107084 APJAXALMGBSLNI-UHFFFAOYSA-N 431.532 5.662 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(N(C)C)cc1)O3)CN(CCC1=CCCCC1)CO2 2322107606 CROCLZCXKDCFBR-UHFFFAOYSA-N 444.575 5.720 30 10 IKEE CC(C)c1ccc(C=C2Oc3c(ccc4c3CN(CCc3cccs3)CO4)C2=O)cc1 2322193405 KUTJMGHHGDKCOT-UHFFFAOYSA-N 431.557 5.882 30 10 IKEE Cc1cc(OCc2nnc(S)n2N=Cc2ccc(C(C)(C)C)cc2)cc(C)c1Cl 2322234398 JSXZLEAWLWVXHF-UHFFFAOYSA-N 428.989 5.596 30 10 IKEE COc1ccc([C@H](C)N2COc3ccc4c(c3C2)OC(=Cc2ccc(Cl)cc2)C4=O)cc1 2322238816 WHDCICVQMSFJTP-INIZCTEOSA-N 447.918 5.878 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCc2ccc(F)cc2)cc1F 2322708535 IUBZPYWQIPYWBE-UHFFFAOYSA-N 444.861 6.111 30 10 IKEE O=C(C=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12)c1cccc2ccccc12 2322722471 LIGAKWWZXGFRIZ-UHFFFAOYSA-N 432.494 7.607 30 10 IKEE CCCOC(=O)COc1ccc(Br)cc1C=CC(=O)c1ccc(C(C)C)cc1 2322725274 YZNOMMHKHJHDQL-UHFFFAOYSA-N 445.353 5.801 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccccc1OCc1ccc([N+](=O)[O-])cc1 2322769043 WFOZPTLNNNEJMB-UHFFFAOYSA-N 445.515 6.376 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cc(Cl)ccc2OCc2cccc(Cl)c2)c(C)c1 2322948933 WRCHVPDCIWMBKD-UHFFFAOYSA-N 425.355 7.394 30 10 IKEE Cn1cc(C=C2Oc3cc(OC(=O)C=Cc4ccc(F)cc4)ccc3C2=O)c2ccccc21 2323044367 VKHRSYIADATUFJ-UHFFFAOYSA-N 439.442 5.552 30 10 IKEE CCOc1c(OC)ccc(C=CC(=O)c2cccc(Br)c2)c1Br 2323097848 QVUPSTWHPDDYEZ-UHFFFAOYSA-N 440.131 5.515 30 10 IKEE Cc1cc(OC(=O)C(Cl)=Cc2ccccc2)cc2c1C(=O)C(=Cc1ccc(F)cc1)O2 2323441169 GWRNDCCMQFFKNW-UHFFFAOYSA-N 434.850 5.936 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)cc1 2323536325 KOZQVBNCTUBDSD-UHFFFAOYSA-N 441.571 6.560 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 2323557328 XPZWRANCXXUOOS-UHFFFAOYSA-N 445.515 6.421 30 10 IKEE Cc1cc(OC(=O)CCc2cccs2)cc2c1C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)O2 2323975062 VJEFROKQIRMJCU-UHFFFAOYSA-N 435.457 5.119 30 10 IKEE C[C@H]1C[C@@H](C)CN(Cc2c(O)ccc3c2OC(=Cc2ccc(-c4ccccc4)cc2)C3=O)C1 2324054889 DEHKROJBJUEZOO-BGYRXZFFSA-N 439.555 6.153 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OCc1cccc(F)c1 2324306605 CCQMXKLXMFMSOD-UHFFFAOYSA-N 434.507 6.325 30 10 IKEE N#C[C@@H](C(=O)C=Cc1ccc(Cl)cc1Cl)c1nc(-c2ccc3ccccc3c2)cs1 2324352211 UGQVCFMKHNQFKG-FQEVSTJZSA-N 449.362 7.160 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OCc4cccc(OC)c4)ccc3C2=O)cc1 2325699088 NMXXREIIBLLZIF-UHFFFAOYSA-N 429.516 5.737 30 10 IKEE O=C(C=Cc1cccc(OC(=O)C23CC4CC(CC(C4)C2)C3)c1)c1ccc2c(c1)CCCC2 2325702094 RLJSDJHHWQIEFO-UHFFFAOYSA-N 440.583 6.583 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2325715300 CCWVYVNUCMICEZ-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE Cc1cc(OCC(=O)Nc2ccccc2)cc2c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O2 2325740209 JOROLBYLTLKTLE-UHFFFAOYSA-N 441.527 5.926 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)Cc2ccc(C)c(C)c2)c1 2325781265 PKOLMMVQXLVLJO-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)c(Br)c1O 2325789626 YMMNCQQIUHQZMF-UHFFFAOYSA-N 432.097 5.375 30 10 IKEE CCOc1ccc(C=Nn2c(CCCOc3ccc(Cl)cc3)nnc2SCC)cc1 2326006515 VJVCWTVYOMVALV-UHFFFAOYSA-N 444.988 5.336 30 10 IKEE C=C(C)CSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1ccc(F)cc1F 2326999468 UYENRVSIDCYKAC-UHFFFAOYSA-N 442.535 5.427 30 10 IKEE CCCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccc(OCC)cc1 2327298480 XJGGLBQSDAWOEK-UHFFFAOYSA-N 438.597 5.565 30 10 IKEE CCc1ccc(C=Nn2c(CCOc3ccccc3)nnc2SCc2ccccc2)cc1 2329189978 JUONPEPGYCOBHH-UHFFFAOYSA-N 442.588 5.637 30 10 IKEE Clc1ccc(CSc2nnc(COCc3ccccc3)n2N=Cc2ccncc2)cc1 2329360984 KPEDRWHGRRXPAF-UHFFFAOYSA-N 449.967 5.218 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2N=Cc2cccc(O)c2)cc1 2329385949 RACLYFMMLXRRMY-UHFFFAOYSA-N 442.588 5.674 30 10 IKEE COc1ccccc1C=Nn1c(Cc2ccc(C)cc2)nnc1SCCc1ccccc1 2330002327 SURADGQRTNUWNU-UHFFFAOYSA-N 442.588 5.403 30 10 IKEE COc1cccc(C=Nn2c(CC3CCCCC3)nnc2SCc2cccc(C)c2)c1 2330245786 PHOKSILLNHDXJN-UHFFFAOYSA-N 434.609 5.892 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(CC2CCCCC2)nnc1SCc1ccccc1 2330271391 YLBWNNIMSAGQGY-UHFFFAOYSA-N 448.636 6.363 30 10 IKEE Cc1cccc(CSc2nnc(Cc3cccs3)n2N=Cc2ccccc2Cl)c1 2330346435 KIMBEHKQMQTQKE-UHFFFAOYSA-N 439.009 6.067 30 10 IKEE CCCOc1ccc(C=Nn2c(Cc3cccs3)nnc2SCCC)cc1OCC 2330418947 NCPZKIGPBYNAFD-UHFFFAOYSA-N 444.626 5.502 30 10 IKEE Cc1ccc(CSc2nnc(-c3cccs3)n2N=Cc2ccccc2OC(C)C)cc1 2330530500 WMZPPGMVXVBEGC-UHFFFAOYSA-N 448.617 6.277 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OC(=O)C1CCCC1 2330682905 BCQVPESAMWSSGE-UHFFFAOYSA-N 434.532 5.574 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H](C)c3ccccc3)c(Cl)c2)cc1 2330832978 XOXJRGQBEOKJEX-HXUWFJFHSA-N 446.974 7.288 30 10 IKEE O=C(Cc1ccccc1F)Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1Cl 2330913330 NREADJQSYHGMKC-UHFFFAOYSA-N 429.274 6.177 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(OC)c(OC(=O)CC2CCCCC2)c(OC)c1 2331052060 YSKHBEKJNGRNKK-UHFFFAOYSA-N 438.520 5.484 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(OC)c(OC(=O)[C@H](C)c2ccccc2)c(OC)c1 2331056978 FPIYKGVMGMGZHS-GOSISDBHSA-N 446.499 5.318 30 10 IKEE Oc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CCCC2)cc1O 2331084574 GXTVXYSSWGFCHG-UHFFFAOYSA-N 444.560 5.675 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3F)cc2[N+](=O)[O-])cc1C 2331093956 SZGROQLYUFLATN-UHFFFAOYSA-N 437.398 5.605 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)c1ccncc1 2331138052 FICGYGBWXOXJLC-UHFFFAOYSA-N 428.271 5.512 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 2331282010 SCWZTSRVEOGRHN-UHFFFAOYSA-N 445.471 5.726 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)cc1 2331295925 VDDBXHFLPCLHPD-UHFFFAOYSA-N 430.456 5.319 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C(C)(C)C)cc1 2331385496 IPCQJHQKCWCEJJ-UHFFFAOYSA-N 437.569 5.782 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2)cc1OC 2331489799 FKEMAUSWDYJHBJ-UHFFFAOYSA-N 430.500 5.943 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1 2331489987 QREUXDRSAATUQW-UHFFFAOYSA-N 444.527 6.089 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1 2331554906 NFBZJLWFUDSATQ-UHFFFAOYSA-N 436.454 5.934 30 10 IKEE COCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1cccc(F)c1 2331592650 MNBCBDJTCOXTKU-UHFFFAOYSA-N 425.316 5.045 30 10 IKEE CCCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1N=Cc1ccccc1Cl 2331630177 YOJCZXSMKFAJHG-UHFFFAOYSA-N 441.988 5.114 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1OCC 2331669775 RSGVWNSYIMSCGT-UHFFFAOYSA-N 438.564 6.483 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(C)C)n2N=Cc2cccc(Br)c2)c1 2331702184 XMRXIXXMBWWXOY-UHFFFAOYSA-N 443.414 5.955 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)c3ccccc3)c(OC)c2)c(OC)c1 2331730035 MDXJFNKNCKAJTO-SFHVURJKSA-N 446.499 5.318 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C2CC2)cc1 2331734360 UASBVXMCLNAPHI-UHFFFAOYSA-N 435.553 5.536 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1sccc1C 2331779614 JUWWAKYBFVVWEJ-UHFFFAOYSA-N 434.557 6.496 30 10 IKEE CCCCOc1ccc(C=NNc2oc(-c3cccs3)nc2C(=O)OC)cc1OCC 2331931912 HMKBNNWCDWCLKN-UHFFFAOYSA-N 443.525 5.213 30 10 IKEE Cc1cc(I)c(Oc2cccc(Br)c2C#N)cc1Cl 2336544337 UESSAHQJFXBDIZ-UHFFFAOYSA-N 448.485 5.680 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@H](C#N)c1c(Cl)ccc(Cl)c1Cl 2339168314 XULKDBAKGOCCST-CQSZACIVSA-N 431.772 6.710 30 10 IKEE CN[C@@H](C#Cc1cccc(Br)c1)c1ccc(NC(=O)OC(C)(C)C)cc1F 2361081670 KXMVVAGWHNZYLD-IBGZPJMESA-N 433.321 5.247 30 10 IKEE O=C(C[C@@H](/N=C/c1ccccc1Cl)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 3082507 JAVCPZROVXFRMI-YJCKXXIQSA-N 434.106 5.679 30 10 IKEE COc1ccc(/C=N/c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)c2ccccc12 12482318 YYOBUFLOUGQLPK-WPWMEQJKSA-N 444.556 6.017 30 10 IKEE Cc1ccc(-n2c(SCC(=O)Nc3ccccc3SCC#N)nc3ccccc32)cc1 21174990 LSRRBQUVMBNZJX-UHFFFAOYSA-N 444.585 5.680 30 10 IKEE CC[C@H](C)Oc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccccc1)C2 21229824 IMAUOVYJEXBFTF-NTVKUAIWSA-N 438.571 6.843 30 10 IKEE CCc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(OC(C)C)c(OC)c2)cc1 21233382 GVJGURVCOILTGX-LEWJYISDSA-N 433.548 5.049 30 10 IKEE O=C1C[C@H](c2ccccc2Cl)CC2=C1[C@@H](c1ccc(Cl)cc1)Nc1ccccc1N2 21254641 MEUOLVMOZCBCIP-PUAOIOHZSA-N 435.354 6.973 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(F)cc1)[C@H]2c1cccs1 21356132 TXLDGBORDSRBLL-DEOSSOPVSA-N 446.547 6.344 30 10 IKEE CC1(C)[C@@H](C(=O)Nc2ccccc2/N=C/C=C/c2ccc([N+](=O)[O-])cc2)CC[C@@]1(C)C(=O)O 28296323 SQGJAJWFORJZOI-KVFUVGRTSA-N 449.507 5.476 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)c1 32555275 SZNSITIPYNDCNE-IBGZPJMESA-N 427.378 5.390 30 10 IKEE C=CCNC(=O)N(Cc1cccc(C)c1)c1ccc(CC(=O)Nc2cccc(C)c2)cc1 37557885 HCIWZUUMMAIKMS-UHFFFAOYSA-N 427.548 5.387 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(F)cc1)O3)CN(CCCc1ccccc1)CO2 41644369 WJMQMGIMJLSSIX-IWIPYMOSSA-N 429.491 5.535 30 10 IKEE Cc1c(Cc2ccccc2Cl)c(NCc2cccnc2)n2c(nc3ccccc32)c1C#N 47163610 QRONOAJQMBGKNN-UHFFFAOYSA-N 437.934 5.919 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2CCc2ccccc2)cc1 54143211 LZBHQYAFOIAYCR-RUZDIDTESA-N 434.580 5.086 30 10 IKEE CCCCCCC[C@](O)(c1ccc(OC)cc1)[C@@H](CN1CCOCC1)c1ccccc1 98048925 BONCPNABCFPOTE-SVBPBHIXSA-N 425.613 5.359 30 10 IKEE CCCCCCCCCCOc1ccc2ccccc2c1CN1CCN(CCCN)CC1 100156758 VPFICTXRWTYTJS-UHFFFAOYSA-N 439.688 5.826 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)/C(=C(\O)c4ccco4)[C@H]3c3ccc(F)cc3)sc2c1 102910978 RBUCHGOSYOAKIV-GOBJLOIFSA-N 448.475 5.217 30 10 IKEE CCCCCCCCC(=O)N1CCN(c2nc(-c3cccc(F)c3)nc(C)c2C)CC1 102996130 KHMSLKQUJHSQLG-UHFFFAOYSA-N 426.580 5.299 30 10 IKEE C=CCOC(=O)c1cccc(-c2ccc(/C=C3/C(=O)N(c4ccc(F)cc4)N=C3C)o2)c1 104926416 BKJLMDWYDOEDQW-PXLXIMEGSA-N 430.435 5.235 30 10 IKEE CCCCCOc1ccc(/C=N/NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1OC 169902148 PUHDGTGNTWJQNP-KOEQRZSOSA-N 446.613 5.183 30 10 IKEE CCN1C(=S)N[C@@H](c2ccc(OCc3ccccc3)cc2)C(C(=O)c2ccccc2)=C1C 169931950 HEKYUFYCXAMTQS-VWLOTQADSA-N 442.584 5.674 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(C)cc2)=C(O)C(=O)N1c1cc(C)cc(C)c1 169941181 QAHIKEQODFFQSI-XMMPIXPASA-N 427.500 5.403 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2cccs2)c1 169982148 TVNYRQJEJYUSFO-JOCHJYFZSA-N 432.545 5.214 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1cccs1)c1ccc2c(c1)CCCC2 169985369 SRUKOPZJFJLRGE-JOCHJYFZSA-N 449.959 6.063 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccncc2)cc1 170016764 JFQQAVOBCFLADY-VWLOTQADSA-N 426.516 5.307 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2ccccc2)s1 170052141 AOMPWZZMMUPWMI-IBGZPJMESA-N 438.936 5.505 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccccc2C)c1 170088551 YJDBEDWJXFNEKP-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1C1CCCCC1 170123819 DPNNGBMKCFZRQX-XMMPIXPASA-N 449.547 5.393 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2cccs2)c1 170156173 OSLXIRAOVUVKCH-HXUWFJFHSA-N 434.473 5.056 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccn2)ccc1Cl 170176153 ARVAPDLBCPQBNC-QFIPXVFZSA-N 448.906 5.225 30 10 IKEE Cc1sc(C2=C(N)N(c3ccc(Oc4ccccc4)cc3)CC2=O)nc1-c1ccccc1 170181327 LENMYPSSCTTXRK-UHFFFAOYSA-N 439.540 5.627 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCC)cc1 170216014 FBOYARHIMUSLBZ-VWLOTQADSA-N 447.575 5.733 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@H]1c1cccc2ccccc12 170221081 IIJGPIVSRNPHDJ-RUZDIDTESA-N 443.543 5.960 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccccc2)c(OC)c1 170223708 ZBQSJDQRMQLILJ-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@H]1c1ccccc1 170232874 LYJGPNHZWVPANV-HXUWFJFHSA-N 442.353 5.526 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc(F)cc1)c1cccc2ccccc12 170238255 GRSGCLKMCUADJN-XMMPIXPASA-N 441.433 5.901 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1cccc(O)c1)c1cccc2ccccc12 170258154 NBBOEYJIUZLMRE-XMMPIXPASA-N 439.442 5.467 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccco2)cc1C 170282762 ZCBHGDBDBSIIRB-QHCPKHFHSA-N 431.488 5.386 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(Cl)c2)[C@@H]1c1ccco1 170288366 LCWOVRSIVLQUKE-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)c(Cl)c2)[C@@H]1c1ccco1 170294846 GKOVGYZZIWFTEA-KRWDZBQOSA-N 438.307 5.364 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(C)o2)c1 170310778 PDEYZDZKLZGOHB-HXUWFJFHSA-N 429.900 5.161 30 10 IKEE CCOc1cc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)ccc1O 170464909 KSOZFKLIJHVJBK-FQEVSTJZSA-N 443.927 5.268 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(OCc3ccccc3)cc2)[C@H]1c1cccs1 170476161 YKAGFYRELCQJRS-DEOSSOPVSA-N 447.556 5.842 30 10 IKEE CC(C)(C)c1ccc(OCCCNC(=O)Nc2ccc(C#N)cc2)c(Br)c1 217298554 SDGRTMNVPKHVPD-UHFFFAOYSA-N 430.346 5.209 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=Nc1ccc(C(=O)O)cc1 252604370 FZCNCOBZPHSVAO-VLTWACRQSA-N 438.892 5.532 30 10 IKEE CC1=C(/C=C/C(C)=C\C=C\C(C)=C/C=NNc2nc3ccccc3s2)C(C)(C)CCC1 253390334 KCMAPBCFQUECSB-FVYRAIOSSA-N 431.649 8.226 30 10 IKEE COC(=O)c1ccc(NC(=O)c2c(N=Cc3cccc(OC)c3)sc3c2CCCC3)cc1 254482703 BBKFIXLRMXOYLI-UHFFFAOYSA-N 448.544 5.425 30 10 IKEE CCOc1ccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccccc2)cc1 526800653 VNOUGZMFOJASBA-DIBXZPPDSA-N 442.588 5.637 30 10 IKEE CCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1cc(OC)ccc1OC 526805504 HSBUFLLDNIKUKK-MYYYXRDXSA-N 438.597 5.330 30 10 IKEE COc1ccc2ccccc2c1/C=N\n1cnnc1SCc1ccc(C(C)(C)C)cc1 526805878 RTIMEUCFEVLPPM-DICXZTSXSA-N 430.577 5.912 30 10 IKEE CC(C)OCCCNC(=O)Nc1cccc(C(=O)Nc2scc(C(C)(C)C)c2C#N)c1 586640828 XJDNXQAYIOHEEI-UHFFFAOYSA-N 442.585 5.106 30 10 IKEE CCCCCCCCCCCC[C@@H](CCN(Cc1ccccc1)C(=O)OC(C)(C)C)NC 692620012 LAVDXTWCNISGHD-SANMLTNESA-N 446.720 7.713 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]([C@](C)(C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)C1 699663760 ICNPQDGOEYEZRK-SBUREZEXSA-N 449.617 5.415 30 10 IKEE C=CCCCCC[C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 705475182 JRMXGJNKEIPDHP-OEMFJLHTSA-N 432.649 5.990 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C=O)(Cc1ccc(Br)cc1Cl)C2 712756275 DHLKOXMJFCVBDE-HOTGVXAUSA-N 442.781 5.392 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCO[C@@H](C(C)(C)C)C1 721578396 VSPWGAAXIYHEEI-UTKZUKDTSA-N 437.378 5.678 30 10 IKEE Cc1cc(C)cc(NS(=O)(=O)c2ccc(N=Cc3cc([N+](=O)[O-])ccc3Cl)cc2)c1 1083986975 WOWYHDOPAYNJFN-UHFFFAOYSA-N 443.912 5.416 30 10 IKEE CC(C)(C)[C@@H]1CCc2c(sc(N=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)c2C#N)C1 1565518977 WBMRVESQUZSWJJ-OAHLLOKOSA-N 433.533 6.690 30 10 IKEE Cc1ccc(/N=C2/S[CH][C@H](c3ccc(Cl)cc3)N2CCCN2CCOCC2)cc1 1614596165 VERIMZDMWFFNAZ-SCXRQHMSSA-N 429.009 5.310 30 10 IKEE COc1ccc(-c2csc(NN=Cc3cn(Cc4ccccc4)c4ccccc34)n2)cc1 1772743305 DAWAHRZCEZXHQB-UHFFFAOYSA-N 438.556 6.268 30 10 IKEE CC1CCN(c2ccc(NC(=O)Nc3ncccc3OCc3ccc(C#N)cc3)cc2)CC1 1858865687 KGCUUPVVUNSOKV-UHFFFAOYSA-N 441.535 5.413 30 10 IKEE COc1ccc2c(c1)c(/C=N/NC(=S)NC1CCCCCCCCCCC1)cn2C 1860500310 ONYFFDFMGSNBKW-KOEQRZSOSA-N 428.646 5.658 30 10 IKEE Cc1ccc2nc(-c3ccc(NC(=O)C(=O)/C=C/c4ccccc4Cl)cc3)sc2c1 1860724663 IJBWPELLVNLGPO-UKTHLTGXSA-N 432.932 6.146 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)COc1ccc(C)cc1C(C)(C)C 1861635882 YILYRJNGACBZPJ-HSZRJFAPSA-N 446.676 5.823 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(F)cc2F)n(-c2cccc3ccccc23)n1 1862339764 DCZLWHDETPUNFS-UHFFFAOYSA-N 429.470 5.785 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862441410 HOABFQALVUJIRB-HSZRJFAPSA-N 435.951 6.117 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 1862448052 DSRQJABJZNCPJL-FQEVSTJZSA-N 440.883 5.159 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CC(C)C)cc1 1862451336 CHWLPUCNUWFNDX-JOCHJYFZSA-N 441.955 5.753 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@H](C)CC)cc1OCC 1862484503 OCZGADJYXVTZIL-UZUQRXQVSA-N 437.536 5.169 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(C)cc1 1862487054 RIEMROCYBQLQIL-DEOSSOPVSA-N 435.564 5.397 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1c(Cl)cccc1Cl 1862498391 HGHFMVNGEJWFGK-XOBRGWDASA-N 432.347 5.987 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862501471 CWCSVRNNZKYSSP-MZNJEOGPSA-N 445.490 5.482 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc(F)cc2F)ccc1F 1862503489 YMQRARYXDZQGCC-NJDIQBRYSA-N 443.465 5.569 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(Cl)c(Cl)c1 1862550593 JJQMTVAUGKNYRD-OAQYLSRUSA-N 444.358 5.859 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccccc1Cl 1862559965 AQHTZWHAODYJAA-QRQCRPRQSA-N 432.907 5.262 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc2cc[nH]c2c1 1862560844 NGVYKYZVTAGFSX-QPPBQGQZSA-N 445.563 5.687 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(Cl)cc1Cl)c1cccc(O)c1 1862596340 FGIBACBBFMMETA-IBGZPJMESA-N 444.270 5.071 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C2CCCCCCC2)c1 1862598321 SWCCHRURKLUULF-DEOSSOPVSA-N 449.547 5.482 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)c1 1862614086 XMYWEXKTAWRTQB-FYYLOGMGSA-N 433.548 5.050 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc(Cl)c1 1862653193 OCUDXVXUOVZLFA-QHCPKHFHSA-N 449.934 5.497 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2Cl)[C@@H]1c1cccc(F)c1)c1ccc(F)cc1 1862672377 BTACQJIIRDYPAS-OAQYLSRUSA-N 439.845 5.397 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2cccc(C)c2)c1 1862698720 LVKXHFFPPRMPGN-MHECFPHRSA-N 427.500 5.343 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccc1C 1862712877 BOEWTOHPKLFBID-XMMPIXPASA-N 429.516 5.153 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2CC(C)C)cc1 1862721441 FJDNDUXXRQDCBC-VWLOTQADSA-N 425.528 5.896 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C(=O)N1[C@@H](C)c1ccccc1 1862747671 USJARXVANWDEKX-GAJHUEQPSA-N 442.471 5.243 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(C(C)C)cc3)C2=O)cc1C 1862875938 DAYWWKUMZDPTSV-UHFFFAOYSA-N 435.527 5.695 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(OCC)cc2)=C(c2cc(C)ccc2C)C1=O 1863394517 MHNHPLIHUPFUJX-UHFFFAOYSA-N 448.607 6.255 30 10 IKEE C=CCOc1ccccc1/C=C1/C(=O)N(Cc2ccc(F)cc2)N=C1c1ccc(OC)cc1 1865666374 IGKQMVWBUQJGTM-JJIBRWJFSA-N 442.490 5.229 30 10 IKEE CCCCCCCCCCCC(=O)Nc1sc(C)c(-c2ccccc2)c1C(=O)OC 1865986288 WPIOJTUCAMGGJF-UHFFFAOYSA-N 429.626 7.370 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(F)cc2)c(CN2CCC[C@@H](C)C2)cc1=O 1870411115 UIUGSYHPURXIPT-OAQYLSRUSA-N 428.592 5.617 30 10 IKEE CCCCCCCOc1cn(CCCCc2ccccc2)c(CN(CC)CC)cc1=O 1870413298 YZAMNUTYQWJDJN-UHFFFAOYSA-N 426.645 6.062 30 10 IKEE C=CCOc1cn(CCCOC(C)C)c(CNc2ccc(-c3ccccc3C)cc2)cc1=O 1870812564 DZZGKXCULMEVGB-UHFFFAOYSA-N 446.591 5.816 30 10 IKEE C=CCOc1cn(Cc2ccccc2F)c(CNc2ccc(C(F)(F)F)cc2)cc1=O 1870813562 QCHCQJPAQFFVNA-UHFFFAOYSA-N 432.417 5.231 30 10 IKEE C#CCOc1cn(CCCCCCCC)c(CNc2ccc(N3CCCCC3)cc2)cc1=O 1871007256 SMLXPFOXBCICQT-UHFFFAOYSA-N 449.639 5.823 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCCC)c(=O)cc1CNc1ccc(C)cc1 1871234761 KXTZEPLFFYXEEL-UHFFFAOYSA-N 442.600 5.461 30 10 IKEE COC(=O)c1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccs2)C3=O)cc1 1871382103 NGOCMPINANUNFW-DWVIGKKNSA-N 446.480 5.078 30 10 IKEE Cc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O 1871409561 RJIZYSYNSPBIMW-GEWRUKCFSA-N 433.891 5.671 30 10 IKEE CC(C)=C1Oc2cc(OCC(=O)Nc3c(Cl)cc(Cl)cc3Cl)cc(C)c2C1=O 1871420521 BJXCEBPTFNCHOW-UHFFFAOYSA-N 440.710 5.842 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(O[C@H](C)C(=O)Nc4ccc(C#N)cc4)c3C)C2=O)c1 1871436353 WBBWWACOLUMSRS-YNJLWJOVSA-N 438.483 5.197 30 10 IKEE Cc1c(OCC(=O)NC2CCCCC2)ccc2c1O/C(=C\c1c(F)cccc1Cl)C2=O 1871437991 JSAXNZZGRXLHNI-MTJSOVHGSA-N 443.902 5.231 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(F)c(Cl)c2)cc2c1C(=O)/C(=C/c1cccs1)O2 1871441178 CGRZOJWBTUVBNF-GRSHGNNSSA-N 443.883 5.483 30 10 IKEE CCCCCCCCN=c1[nH]c(=NCCCCCCCC)[nH]c(=Nc2cccc(C)c2)[nH]1 1871468221 FBECPDOUFKECSR-UHFFFAOYSA-N 440.680 5.734 30 10 IKEE CCCCCCCCN=c1nc(N(CCC)CCC)[nH]c(=Nc2cccc(Cl)c2C)[nH]1 1871491921 ROZFCFUMOPYBMH-UHFFFAOYSA-N 447.071 5.820 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(CC)cc2)[nH]c(N(CCC)CCC)n1 1871585556 GOOAEUYEDUWBKC-UHFFFAOYSA-N 426.653 5.998 30 10 IKEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1ccc(Cl)cc1 1872080453 ZBGGYILPMRVTNO-QFIPXVFZSA-N 449.016 5.133 30 10 IKEE Cc1c(C(=O)[C@@H](C#N)c2nc(-c3cccc(Cl)c3)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1872767143 SZSUSPAHSCMKHY-OAHLLOKOSA-N 442.840 5.078 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1 1872778546 NMESUJVWBOKZKG-RUCTVCJSSA-N 430.573 6.332 30 10 IKEE COc1cc(OC)c(-c2csc([C@@H](C#N)C(=O)Cc3ccc(C)cc3)n2)cc1Cl 1872782670 MREUJOJWKSIMJW-INIZCTEOSA-N 426.925 5.208 30 10 IKEE CCCc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 1872787332 HKXFQFUHFFKXDB-GOSISDBHSA-N 445.371 6.325 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@H](C#N)C(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 1872788651 NFSSDHNGNUHVKW-OAHLLOKOSA-N 427.869 5.179 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2OC)C(=O)N(CCCCCC)C1=O 1873152207 AGUQWWLKDPZQPV-UHFFFAOYSA-N 442.644 6.086 30 10 IKEE Cc1cc(C)c(C2=C(Nc3cccc(C#N)c3)C(=O)N(C3CCCCCCC3)C2=O)c(C)c1 1873331495 NLEUHKAYQRDNIF-UHFFFAOYSA-N 441.575 5.788 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(NC(C)=O)c2)=C(c2ccccc2)C1=O 1873415301 MTPZMIKNNIJWKF-UHFFFAOYSA-N 433.552 5.198 30 10 IKEE C=CCN(CC=C)c1nc(Nc2ccccc2OCC)c2cnn(-c3ccccc3)c2n1 1873481696 KVWXKTUTWVTHHG-UHFFFAOYSA-N 426.524 5.136 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc2c(c1)C(=O)N(c1ccc(OC)cc1)C2=O 1873935753 YEZRBRDOQUWQFD-UHFFFAOYSA-N 436.552 5.366 30 10 IKEE COc1ccccc1/C=N/n1c(CCCOc2ccc(C(C)(C)C)cc2)nnc1SC 1874195615 YBJPQZLVWNYNFG-KOEQRZSOSA-N 438.597 5.200 30 10 IKEE Cc1cccc(OCCCc2nnc(SCCc3ccccc3)n2/N=C/c2ccc[nH]2)c1 1874247324 XWFYEODAFNIGML-ZXVVBBHZSA-N 445.592 5.143 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccco1 1874268573 DNPSLLDTNPWZIH-WPWMEQJKSA-N 438.556 6.098 30 10 IKEE Fc1ccc(CSc2nnc(Cc3cccc4ccccc34)n2/N=C/c2ccco2)cc1 1874269053 SPRCQWGLSDXJER-JVWAILMASA-N 442.519 5.929 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccccn1 1874281162 URZSLDUTLFOURG-JVWAILMASA-N 447.995 5.595 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc(OC)cc1 1874282841 BNDFSKLGALGYRF-ZVHZXABRSA-N 426.973 5.276 30 10 IKEE COc1ccccc1CCc1nnc(SCc2ccccc2)n1/N=C/c1ccccc1C 1874314444 UKMAIFLHDFUMMV-OVVQPSECSA-N 442.588 5.555 30 10 IKEE CCCSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1c(F)cccc1Cl 1874327596 BEEYFVSCAQZMDX-WYMPLXKRSA-N 432.952 5.651 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1cc(Cl)ccc1O 1874342310 KCMRJKSUECVDSA-FOKLQQMPSA-N 433.364 5.432 30 10 IKEE Cc1ccc(/C=N/n2c(COCc3ccccc3)nnc2SCc2cccc(C)c2)cc1 1874354163 VCHNBWJDQSHENL-JVWAILMASA-N 442.588 5.786 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccccc2F)cc1C 1874357290 ZNBTYYCJCDOFQX-RWPZCVJISA-N 448.542 5.938 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(Cc3ccccc3F)nnc2SCc2ccccc2)c1 1874375565 CITKKOPGGJTUBJ-CVKSISIWSA-N 432.524 5.197 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(O)cc1 1874393960 XSRWAJRVRFMCGX-AEIQVQRHSA-N 432.524 5.449 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SCCC)nnc2-c2cccs2)cc1OC 1874423994 OYHKCKJMEWSANU-XQNSMLJCSA-N 444.626 5.969 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2-c2ccco2)c1 1874465711 XRKQHGCZLUNWCY-MFKUBSTISA-N 436.512 5.641 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2-c2ccco2)cc1O 1874468448 IMSIURVBGAPPOE-FSJBWODESA-N 440.912 5.080 30 10 IKEE CCc1nnc(SCc2ccccc2)n1/N=C/c1ccc(OCc2ccccc2C)cc1 1874527127 XPRSLRTVFURNOZ-WPWMEQJKSA-N 442.588 5.902 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCc2c(Cl)cccc2Cl)cc1C 1874573923 LYCVTLGOBQRSSH-ZRDIBKRKSA-N 427.327 6.786 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccccc2OCc2ccccc2C)cc1OCCC 1874576214 CEJREXXOMVESLH-JQIJEIRASA-N 444.571 7.048 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(F)c(F)c2)c1OCc1cc(C)ccc1C 1874584760 FGQBQGKCJDUYDM-VQHVLOKHSA-N 442.889 6.719 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccc(C)c(C)c2)c(C)c1C 1874586198 ALBQJYJNUICXRF-SDNWHVSQSA-N 443.543 5.842 30 10 IKEE CCc1ccc(NC(=O)COc2ccccc2/C=C/C(=O)c2cc(C)c(OC)cc2C)cc1 1874591137 VALRCHIZATYTEC-NTCAYCPXSA-N 443.543 5.788 30 10 IKEE CCOC(=O)c1ccc(COc2ccccc2/C=C/C(=O)c2cc(Cl)ccc2OC)o1 1874592425 YGQXMZZNGYDLQG-DHZHZOJOSA-N 440.879 5.593 30 10 IKEE O=C(/C=C/c1cccc(OCc2cccc3ccccc23)c1)c1ccc(Br)cc1 1874593264 AVOZQBFYCMIZMK-LFIBNONCSA-N 443.340 7.077 30 10 IKEE Cc1ccccc1NC(=O)COc1cccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1 1874596581 ROBGFXHTVGBUEW-FMIVXFBMSA-N 440.326 6.215 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Cl)c1OCc1ccccc1F 1874611359 JORWUJNGZCWSRJ-RMKNXTFCSA-N 432.825 6.241 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 1874620373 WVVJABOSTMOKTR-IURSYISVSA-N 429.516 5.156 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1OC(=O)Cc1ccccc1 1874692047 KWNAMOCGQPMLCV-LDADJPATSA-N 448.518 6.406 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)c1 1874706562 OGFWXQMRWYGDIP-DHZHZOJOSA-N 447.443 5.036 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2cccc(OC(=O)COc3ccc(Cl)cc3)c2)c1C 1874710605 FYAZJBLGYYNHGY-MDWZMJQESA-N 448.946 6.454 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3c(C)cc(C)cc3C)c2)cc1OC 1874716283 LKMVOFGTBIPVDP-PKNBQFBNSA-N 444.527 5.673 30 10 IKEE O=C(CCOc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1 1875096826 HCIJDPVLMJLYBU-SFQUDFHCSA-N 426.512 5.836 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OC(=O)CCC 1875105623 DTUYGBBMSOGPFT-DHZHZOJOSA-N 433.331 6.332 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(OC)c(OC(=O)CCc2ccccc2)c(OC)c1 1875118638 HEMFZNWXYARZQP-FYWRMAATSA-N 446.499 5.147 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)COCc1ccccc1 1875119805 NJAAUBDDTWTDLO-FYWRMAATSA-N 446.499 5.112 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC)c([N+](=O)[O-])c2)cc1OCCC 1875124022 PDCREPQZCKDJCE-JXMROGBWSA-N 441.480 5.384 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])c(Cl)c2)c(C)c1 1875131678 JQLVELSPTXCTJJ-DHZHZOJOSA-N 435.863 5.980 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(N(C)C)cc3)c([N+](=O)[O-])c2)cc1 1875136143 ZMFFRCKGPKZXDP-MKMNVTDBSA-N 430.460 5.085 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)COc3ccccc3)cc2)c1 1875171629 GHJRPIBRNLOSOD-FOWTUZBSSA-N 446.499 5.365 30 10 IKEE CC#CCCCC[C@@H](NCC)c1cc(I)ccc1Br 1885226204 BNKKRNPDZRENJT-MRXNPFEDSA-N 434.159 5.288 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](O)c1c(Cl)cccc1Br 1922047998 XKYSCNBWXJTHGT-SFTDATJTSA-N 438.793 5.277 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]12CC[C@@H](C[C@@H]1NC(=O)OC(C)(C)C)C2 1998056637 KLSHRFZDJXQCER-OHTANWTRSA-N 428.617 5.211 30 10 IKEE CCCCCC#CC[C@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCC 2024369193 CWKCPDWEFUPSRF-RPWUZVMVSA-N 430.633 5.439 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)[C@@H]2CC[C@@H]21 2057587260 VONGSPDVQJHEDC-YDIMBITNSA-N 445.535 5.249 30 10 IKEE CCOC(=O)c1c(C2CCC2)nn(Cc2cc(F)cc(C(F)(F)F)c2)c1C(F)(F)F 2079052860 XLLIGJNUPSYJKN-UHFFFAOYSA-N 438.343 5.552 30 10 IKEE CCOc1ccc([C@H](C2CCC2)n2nc(C3CCC3)c(C=NO)c2Br)cc1 2080105952 RCYMYKJWTLDASR-FQEVSTJZSA-N 432.362 5.509 30 10 IKEE CC[C@H]1CC[C@@H](Nc2ccc(C#N)c(Br)c2F)CN1C(=O)OC(C)(C)C 2105983239 KUXMSGVTJWQHHB-KGLIPLIRSA-N 426.330 5.050 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)[C@@H]1[C@H]2CCC(F)(F)[C@H]21 2119359421 NZSZCUJGBCOPRO-LVQVYYBASA-N 427.289 5.374 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)C[C@@H]2CCCC[C@@]2(C)C1 2154234317 OWNNQFDYJSNPKZ-WQTXXOFMSA-N 433.390 6.443 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(CNc3cc(Br)c(C#N)cc3F)CCC[C@H]12 2162404069 XTLSEQBSCSHJMF-FXAWDEMLSA-N 438.341 5.051 30 10 IKEE CCN(c1cc(Br)cc(C#N)c1)[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 2174809218 XOGVYVLDYVHCIT-VQIMIIECSA-N 436.394 5.231 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CC[C@@]2(CCCOC2)C1 2185136376 XSAIFOFYYFQQIB-SFTDATJTSA-N 435.362 5.434 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H](Nc2ccc(C#N)cc2Br)C(F)(F)CC1 2197026314 PTXGVEMRIUPBMM-INIZCTEOSA-N 444.320 5.158 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Cl)c(Cl)cc1Cl 2201289473 QXWPIQZXNPWGBY-MSOLQXFVSA-N 435.823 6.547 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(F)c(Br)c(F)c1 2207151653 QWJCPMQRFVTGPI-AEFFLSMTSA-N 447.364 5.628 30 10 IKEE CC1(C)OB(C2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)OC1(C)C 2208917378 CPZFWUNDWMQIBJ-UHFFFAOYSA-N 433.357 5.494 30 10 IKEE Cc1ccc([C@@H](O)C#Cc2ccccc2Br)c(NC(=O)OC(C)(C)C)c1C 2235727964 GXCJRNUSZUNYBV-IBGZPJMESA-N 430.342 5.498 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)C[C@H]2CC[C@H]1C2 2248360541 MSBZIWUJABMXFD-TUGCOKMYSA-N 428.617 5.211 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)ccc1F 2255535308 STLDKHXAVRGYMZ-UHFFFAOYSA-N 434.317 5.128 30 10 IKEE C=CCCC1(C(=O)c2cc(F)c(Br)cc2F)CN(C(=O)OC(C)(C)C)C1 2266276551 LVBUHJPSALTHND-UHFFFAOYSA-N 430.289 5.113 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N(Cc2ccccc2)c2ccccc2)c1 2267225301 UMYQVKFXIPOGIZ-UHFFFAOYSA-N 427.353 5.141 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)c1cc(Br)cc(C(C)(C)C)c1 2273004691 FDFDMWURZSXNID-ROUUACIJSA-N 426.395 5.640 30 10 IKEE O[C@H](C#Cc1cccc(Br)c1)c1cccc(Br)c1Br 2278784046 OATMUCBOYCATRR-CQSZACIVSA-N 444.948 5.059 30 10 IKEE COc1ccc(COc2ccc3c(c2)OC(=Cc2cn(C)c4ccc(OC)cc24)C3=O)cc1 2296871263 HWNUBSAILPTMGP-UHFFFAOYSA-N 441.483 5.391 30 10 IKEE O=C1C(=Cc2cn[nH]c2-c2ccc(F)cc2)CSC1=Cc1cn[nH]c1-c1ccc(F)cc1 2297337344 JTEOEBVHCGDKMH-UHFFFAOYSA-N 446.482 5.485 30 10 IKEE CCC(=CC(=O)c1ccc(Br)cc1)Nc1ccc(N=Nc2ccccc2)cc1 2313523441 ZGMBZAWXBVKJIE-UHFFFAOYSA-N 434.337 7.453 30 10 IKEE O=C(C=Cc1cccs1)c1ccc(OC(=O)N(c2ccccc2)c2ccccc2)cc1 2314430030 UTJGCDBUUQPYBX-UHFFFAOYSA-N 425.509 6.981 30 10 IKEE CC(C)(C)c1ccc(C=C2SC(=NN=Cc3cccs3)N(Cc3ccco3)C2=O)cc1 2314818916 OMLNVWQJWLTZNF-UHFFFAOYSA-N 449.601 6.145 30 10 IKEE O=C1C(=Cc2ccccc2OC(F)F)Oc2cc(OCc3ccc(F)cc3Cl)ccc21 2321862871 WRRUCUSVWWERLJ-UHFFFAOYSA-N 446.808 6.276 30 10 IKEE COc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccccc2Cl)C4)cc1 2321958368 CBWDKNAGVIBROE-UHFFFAOYSA-N 447.918 5.625 30 10 IKEE Sc1nnc(CCc2ccccc2Cl)n1N=Cc1ccccc1OCc1ccccc1 2322119799 BASXQOUUXYDZDG-UHFFFAOYSA-N 448.979 5.467 30 10 IKEE COc1ccc(C=C2Oc3c(cc4c(c3C)OCN(CCC3=CCCCC3)C4)C2=O)cc1 2322377354 SALHYUBIHYQKQR-UHFFFAOYSA-N 431.532 5.662 30 10 IKEE O=C(C=Cc1cc(Br)ccc1OCc1ccccc1F)c1ccc(F)cc1F 2322487736 GEQNCCKJLBANIH-UHFFFAOYSA-N 447.250 6.342 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccccc2OCC(=O)N[C@H](C)c2ccccc2)cc1 2322549382 NUAMKZWSTPCWRY-HXUWFJFHSA-N 429.516 5.238 30 10 IKEE CCCCCCOc1ccc(C=NNc2cnn(C(C)(C)C)c(=O)c2Cl)cc1OC 2322601315 CCTJAJCDBRPENS-UHFFFAOYSA-N 434.968 5.065 30 10 IKEE Cc1ccc(NN=Cc2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1C 2322922727 JMPCWLSKKCDDHD-PMERELPUSA-N 444.582 7.105 30 10 IKEE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Oc1ccc2c(c1)OC(=Cc1ccco1)C2=O 2322949041 TVORDSKNNZNTQA-LBPRGKRZSA-N 445.254 5.576 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)N[C@H](C)c2ccccc2)cc1Cl 2322974733 CJHIBLTVXKGCSD-GOSISDBHSA-N 449.934 5.501 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OC(=O)c4ccc(F)c(F)c4F)c3C)C2=O)c1 2323127147 KFQVYBNBALSBHX-UHFFFAOYSA-N 440.373 5.256 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3C)ccc2C1=O 2323260237 KDGRWUYJCXTZLH-UHFFFAOYSA-N 445.427 5.137 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCCc3ccccc3)c([N+](=O)[O-])c2)cc1OC 2323444314 DHIYOEHVQZLHJX-UHFFFAOYSA-N 433.460 5.130 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)ccc1OCc1cccc2ccccc12 2323626926 IZMPXEHYSJQPCV-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3cccc(C)c3)c(Br)c2)cc1 2323628712 YSTKVSRAPXUJCM-UHFFFAOYSA-N 437.333 6.241 30 10 IKEE Cc1ccccc1COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1Br 2323766746 RGAOHHIOOUCELR-UHFFFAOYSA-N 441.752 6.886 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)cc1 2323829801 WRVFZVXLTMVUDO-UHFFFAOYSA-N 429.516 5.616 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)NCc3ccccc3)c(Cl)c2)c(C)c1 2323854549 RNQHSDXRGZDSNF-UHFFFAOYSA-N 433.935 5.548 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(C)cc2)C3=O)c1 2323858354 LNNHVNNCQIMBDN-UHFFFAOYSA-N 426.468 5.704 30 10 IKEE CCN(CCc1ccncc1)Cc1c(O)ccc2c1OC(=Cc1ccc(C(C)C)cc1)C2=O 2324090745 GMEOQAMXCTUYFF-UHFFFAOYSA-N 442.559 5.591 30 10 IKEE CCCCN(CC)Cc1c(O)cc(C)c2c1OC(=Cc1c(Cl)cccc1Cl)C2=O 2324123955 QBNCZEKIFISHSX-UHFFFAOYSA-N 434.363 6.246 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OCc1ccccc1Cl 2324319821 JVFYSDAAVPYAQO-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE CCOc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccc(C)cc4)ccc3C2=O)cc1 2324370328 PJNIMFMXTVDFPV-SFHVURJKSA-N 443.499 5.416 30 10 IKEE Cc1ccccc1C=C1Oc2cc(O[C@@H](C)C(=O)Nc3ccccc3Cl)cc(C)c2C1=O 2324397324 AMYDNKOVBZQMCR-KRWDZBQOSA-N 447.918 5.979 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccc(Cl)cc4)c3C)C2=O)o1 2324611995 BCLJIYXGABSMLE-HNNXBMFYSA-N 437.879 5.572 30 10 IKEE CCOc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1 2324719056 NMESUJVWBOKZKG-QFIPXVFZSA-N 430.573 6.332 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4cccc(Cl)c4C)ccc3C2=O)cc1 2325053132 XEMISZCFSPVWTI-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1)OC(=Cc1c(Cl)cccc1Cl)C2=O 2325079276 SKOTVHLILTYLNZ-GOSISDBHSA-N 435.303 5.720 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccccc1OCCC 2325512970 CBGODNBUUAMRGP-UHFFFAOYSA-N 426.561 5.723 30 10 IKEE CC(C)(C)c1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2cccs2)C3=O)cc1 2325552440 NXLIBVGDOVPVOC-UHFFFAOYSA-N 433.529 5.679 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccc(C)c(C)c3)c2)cc1 2325704190 YDWBKPMVAXEAEG-UHFFFAOYSA-N 428.528 5.919 30 10 IKEE COc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2cccs2)C3=O)cc1Cl 2325710666 HCJIQHSHWPPVSS-UHFFFAOYSA-N 441.892 5.044 30 10 IKEE CCCCc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(C)o2)C3=O)cc1 2325719540 UEOHZPJTXSIFLM-UHFFFAOYSA-N 431.488 5.564 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)CCCOc3ccccc3C)c2)cc1 2325734809 WWFDOSCAPUCGDV-UHFFFAOYSA-N 444.527 6.054 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)c2)cc1 2325738599 VSFMBABCAXGUMR-UHFFFAOYSA-N 446.415 5.235 30 10 IKEE COc1ccc(CCC(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c(C)c3C)c2)cc1 2325755701 GPXJYEBNDWUENY-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(F)cc3F)c2)cc1Cl 2325768179 DDHBETAYVKCMFP-UHFFFAOYSA-N 442.845 5.671 30 10 IKEE COc1ccccc1C=Nn1c(CCCOc2ccc(C(C)(C)C)cc2)nnc1SC 2325828174 YBJPQZLVWNYNFG-UHFFFAOYSA-N 438.597 5.200 30 10 IKEE CCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1cccc2ccccc12 2326589568 PWNZPJWYBYMWKR-UHFFFAOYSA-N 436.584 6.364 30 10 IKEE CCSc1nnc(CCCOc2ccccc2C)n1N=Cc1ccc(C(C)(C)C)cc1 2327082454 HLYZQTPOECINAU-UHFFFAOYSA-N 436.625 5.890 30 10 IKEE C=CCOc1ccccc1C=Nn1c(COc2ccccc2Cl)nnc1SCC 2327638427 IEWAZLOHRVIHPO-UHFFFAOYSA-N 428.945 5.070 30 10 IKEE CCCCC1CCC(c2nnc(SCCCO)n2N=Cc2ccccc2Cl)CC1 2328198279 ZVEBEEMMYUBRGL-UHFFFAOYSA-N 435.037 5.752 30 10 IKEE CC(C)c1ccc(C=Nn2c(Cc3ccc(Cl)cc3)nnc2SCCCO)cc1 2329129338 KREFQOPYWXMQMR-UHFFFAOYSA-N 428.989 5.002 30 10 IKEE Cc1cccc(CSc2nnc(COCc3ccccc3)n2N=Cc2ccccc2C)c1 2329315721 NRWULIXVDAOHMT-UHFFFAOYSA-N 442.588 5.786 30 10 IKEE C=C(C)CSc1nnc(Cc2cccs2)n1N=Cc1ccc(OC(C)C)c(OC)c1 2330389791 QTJSRIJOPWAPGZ-UHFFFAOYSA-N 442.610 5.277 30 10 IKEE Fc1cccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2-c2cccs2)c1 2330620482 RCERYEMCXDUKPZ-UHFFFAOYSA-N 446.935 6.113 30 10 IKEE O=C(Cc1ccccc1[N+](=O)[O-])Oc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1 2330678641 INVKXJLGDLPNCA-UHFFFAOYSA-N 441.483 5.518 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)CCOc3ccccc3)cc2)cc1 2330825657 IKNDONZEPAUGEP-UHFFFAOYSA-N 428.528 6.300 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1[N+](=O)[O-] 2330929636 VZZWRYOPYVTXLL-UHFFFAOYSA-N 427.884 6.020 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2cccc(Br)c2)cc1 2330994395 UQKZLMZQNAXCRE-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2ccc(C)cc2)nnc1C1CCCC1 2331018440 SUBAZEOHEIYVEZ-UHFFFAOYSA-N 434.609 6.207 30 10 IKEE C[C@H](Oc1ccc(Cl)cc1)C(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1 2331138497 YUKUOJDUYCATBF-INIZCTEOSA-N 441.310 6.262 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OCC)cc2)cc(OC)c1OC(=O)CC(C)(C)C 2331211504 STWJXZQZXYESBI-UHFFFAOYSA-N 436.548 6.060 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1cccc(Cl)c1 2331319888 XRSDHLAUIRZSIM-UHFFFAOYSA-N 445.951 5.026 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)cc(OC)c1OC(=O)CC(C)C 2331404665 WNMQEEAZNGSGOD-UHFFFAOYSA-N 436.504 5.043 30 10 IKEE CSCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1Cl 2331415963 BIINFWSMOYUFKK-UHFFFAOYSA-N 430.997 6.582 30 10 IKEE COc1cccc(C=Nn2c(CC(C)C)nnc2SCc2ccc(Cl)cc2)c1O 2331467293 ZIQWWPPFAURNCA-UHFFFAOYSA-N 430.961 5.019 30 10 IKEE Cc1ccc(CSc2nnc(C3CCC3)n2N=Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1 2331484859 YBXZGXGCJMNCQT-UHFFFAOYSA-N 441.944 5.590 30 10 IKEE CC(C)c1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(C(=O)O)cc1 2331705208 PDRJQCHMWMYVQZ-UHFFFAOYSA-N 449.363 5.581 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2OC)cc1 2331715165 LSRIIBNCTOCASF-UHFFFAOYSA-N 430.500 5.826 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3cc(C(C)(C)C)ccc3C)cc2)cc1 2331780491 ZGRFWOFUPPAMOZ-UHFFFAOYSA-N 426.556 6.645 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)CC(C)(C)C 2331801283 YSPCHRUVECJTEO-UHFFFAOYSA-N 436.592 6.929 30 10 IKEE CC#CCN(C[C@@H](NCCC)c1cc(Cl)cc(Br)c1)C(=O)OC(C)(C)C 2337916117 PCXQZODLXUWXQG-GOSISDBHSA-N 443.813 5.404 30 10 IKEE CC1(C)[C@@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C[C@@H]1OCc1ccccc1 2339574999 QGYFLSOGLSYHON-TYOAQRMGSA-N 434.389 5.522 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1cnc2c(c1)CCC2 2368006782 FZCVVFSZWHYYQZ-IBGZPJMESA-N 428.330 5.339 30 10 IKEE CCOC(=O)c1ccccc1OCc1cc(/C=C2\CCc3ccccc3C2=O)ccc1OC 2312722 DTILEQJALOMGFN-LTGZKZEYSA-N 442.511 5.663 30 10 IKEE O=[N+]([O-])c1cccc(/C=N/c2ccc3nc(-c4cccc(Br)c4)oc3c2)c1O 3656903 JPIRSKPLHLSVJU-SSDVNMTOSA-N 438.237 5.622 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc3c(c2)N(CCCCC)C(=O)[C@@H](C)O3)c1 12236813 WYLKARKEIAXNRF-LJQANCHMSA-N 449.595 6.081 30 10 IKEE CC/N=C1\S/C(=C\c2ccc(Br)cc2)C(=O)N1/N=C/c1ccc(C)cc1 20353050 UVFWNRVHTCTAGT-ZRXIKKTLSA-N 428.355 5.084 30 10 IKEE Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(OC(C)C)cc2)cc1 21223121 KAFQVDBQWATHGR-ZTOMLWHTSA-N 438.571 6.762 30 10 IKEE COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C)o2)c1 21230103 JMGWEGYQXPAEJJ-AKJBCIBTSA-N 430.504 5.585 30 10 IKEE Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc3ccccc23)cc1 21246992 ASTQYGCKYIQITM-YKGWIAGDSA-N 430.551 7.128 30 10 IKEE C=CCn1c(COc2ccccc2F)nnc1SCC(=O)c1cc(C)c(C)c(C)c1C 21376749 UHADCYSVXNUIDG-UHFFFAOYSA-N 439.556 5.391 30 10 IKEE O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)c1ccc2c(c1)OCCO2 33497389 RLLWBRBNESUGLF-BENRWUELSA-N 448.478 5.953 30 10 IKEE O=C1/C(=C/c2cccc([N+](=O)[O-])c2)Oc2cc(OCc3c(Cl)cccc3Cl)ccc21 39754066 WEYYQSZMUMNCQR-FBHDLOMBSA-N 442.254 6.097 30 10 IKEE Cc1cc(/N=N/c2ccccc2C)ccc1/N=C/c1cn(Cc2ccccc2)c2ccccc12 40570827 ZNFNMAJJQULZRM-GYDCQSSISA-N 442.566 8.472 30 10 IKEE Cc1c(C(=O)NCc2ccco2)oc2c1/C(=N/Nc1cccc(C(F)(F)F)c1)CCC2 40824032 PDAZPAYPJQVDRA-OGLMXYFKSA-N 431.414 5.282 30 10 IKEE Cc1ccc(OCCCC(=O)Nc2sc(=S)c3c(c2C#N)CC[C@H](C)C3)c(C)c1 41015682 JRFDORQBHHXJQI-HNNXBMFYSA-N 426.607 5.889 30 10 IKEE O=[N+]([O-])c1ccc(/C=N/c2ccc3nc(SCCOc4ccccc4)sc3c2)cc1 59854897 FHZXGPYFTBOXQY-HZHRSRAPSA-N 435.530 6.126 30 10 IKEE C=C(C)COc1ccc(NCC(=O)Nc2ccc(OCCCc3ccccc3)cc2)cc1 66062133 FWBOJHXIESCFEC-UHFFFAOYSA-N 430.548 5.704 30 10 IKEE O=S(=O)(c1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1)N1CCCCCC1 100035933 MVJHEAGSVBENKG-LPYMAVHISA-N 427.353 5.014 30 10 IKEE CCCCCCCC/C=C\CCCCCCCCOCCO[P@@](=O)(O)OCCC 100079608 JRPRVCRAEUYJSN-QXMHVHEDSA-N 434.598 7.584 30 10 IKEE CCN1C(=O)C[C@@H](C(=O)Nc2ccccc2F)S/C1=N\c1ccc(Cl)c(Cl)c1 100194541 YHXMJWPTPQRDFT-JJXNMMKVSA-N 440.327 5.113 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(OC)cc2)cc1 169921235 ZPQLFHCUQWAQRM-JOCHJYFZSA-N 433.529 5.098 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2cccc(C)c2)c1 169930902 FKXXNTZWQINABD-SANMLTNESA-N 449.506 5.940 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccccc2OC)c1 169941213 IIWVFXBEDILUMK-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2cccs2)ccc1F 169988271 FXEGXEHVNHVGKF-LJQANCHMSA-N 429.419 5.257 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2c[nH]c3ccccc23)cc1 170075379 IYGNPSLZEUPZPJ-NRFANRHFSA-N 443.528 5.333 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccccn2)c1C 170172747 MZEHIPUAXCGBDG-VWLOTQADSA-N 438.527 5.360 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccc(OCC)cc1 170214197 PKIFNFSCKWVROD-HSZRJFAPSA-N 432.520 5.335 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C2CCCC2)c1 170218686 WRYNVSYWHKEWJP-RUZDIDTESA-N 445.559 5.485 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccccc1 170233820 RLSZHMRPSKHKDR-QHCPKHFHSA-N 433.548 5.514 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2C)c1 170272191 QFMWUIKRPUJPKX-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccco2)cc1C(C)C 170291993 PTRZHEBETIDGRV-QFIPXVFZSA-N 435.476 5.092 30 10 IKEE CCOc1ccc(N=C2S/C(=C\c3cc(Br)ccc3O)C(=O)N2CC)cc1 252596342 CILVFJKZIRTHOJ-OUCYFQBSSA-N 447.354 5.177 30 10 IKEE CCc1ccccc1N=C1S/C(=C/c2ccc(O)c(O)c2)C(=O)N1c1ccccc1CC 252601413 FAEGEQUQYWQHDI-GUGSDYAWSA-N 444.556 6.031 30 10 IKEE CC1(C)CC[C@]2(C=O)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2C1 257545804 STHRNDDZYFUIDO-RHPDUDLNSA-N 440.712 7.348 30 10 IKEE endogenous,in-man CCN(CC)c1ccc(C=NNc2nnc(SCc3ccc(Cl)c(Cl)c3)[nH]2)cc1 263626684 ZSKKKOYTDVEDHU-UHFFFAOYSA-N 449.411 5.696 30 10 IKEE CCCCCCCCCCCCCC[C@H](C=O)/C(=N/N)c1ccc(OCC(=O)O)cc1 514277620 LTWGCYLILWPUPW-SIHNDCSESA-N 432.605 5.719 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2cccc(Cl)c2Cl)c1 526515236 ILEPRTNMGMIKHK-IBGZPJMESA-N 427.312 5.984 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccccc2C)c(C)c1 526812309 NQAUSBXKRSEHFM-PKAZHMFMSA-N 426.589 5.969 30 10 IKEE FC(F)(F)Sc1ccc(I)c(C(F)(F)F)c1C(F)(F)F 575380274 KCWAWLKQPQSZSS-UHFFFAOYSA-N 440.068 5.941 30 10 IKEE CCN1C(=O)C(C=Nc2ccccc2)=S=C1/C=C1/SC=C(c2ccccc2)N1CC 585087098 PDAJQEZGOZGVNW-TZKQRANNSA-N 433.602 5.195 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)NC2CCN(C(=O)Nc3ccc(F)cc3)CC2)c1 585860513 UJVIDVMMIJSKMN-UHFFFAOYSA-N 438.547 5.090 30 10 IKEE CCCCCCCC[C@@H](O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 695814817 GCNCQDDXMLOKFB-HSZRJFAPSA-N 432.649 5.657 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@H](C#N)c1cc(Cl)ccc1Br 698456406 NKEBLKDSMSSJJG-QGZVFWFLSA-N 427.770 6.237 30 10 IKEE CC(C)(C[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl)NC(=O)OC(C)(C)C 698958340 PSLOLTCKWCMSAH-HNNXBMFYSA-N 437.968 5.667 30 10 IKEE C=CCC1([C@@H](NCC)c2c(F)cc(Br)cc2F)CN(C(=O)OC(C)(C)C)C1 722942291 QHHKHQIBPZIBRW-KRWDZBQOSA-N 445.348 5.191 30 10 IKEE Cc1nc(O)cc(-c2ccc(NC(=O)NCc3cccc(-c4ccc(C#N)s4)c3)cc2)n1 740022137 DEYOWXRHFGINIG-UHFFFAOYSA-N 441.516 5.080 30 10 IKEE CC(C)(C)c1nnc(CSc2n[nH]c(NN=Cc3cccc(Oc4ccccc4)c3)n2)o1 1084243309 XSGFNMPXRHNGDB-UHFFFAOYSA-N 449.540 5.016 30 10 IKEE O=[N+]([O-])c1ccc(Oc2ccc(C=NNc3nc4ccccc4s3)cc2)c([N+](=O)[O-])c1 1084454773 OCUJMQUIRNMCCW-UHFFFAOYSA-N 435.421 5.351 30 10 IKEE C(=NC1=N[C@@H](c2ccco2)[C@H](c2ccco2)S1)c1ccccc1OCc1ccccc1 1084565321 GQZQAMIOMRPPDC-ZEQRLZLVSA-N 428.513 6.456 30 10 IKEE COc1ccccc1-c1ccc(C(=O)Nc2sc3c(c2C#N)C[C@H](C)C[C@H]3C)c(O)n1 1460374694 AIXSEAUOYSRMKO-ZIAGYGMSSA-N 433.533 5.334 30 10 IKEE C/C(=C1\SC(=Nc2nc(-c3ccccc3)cs2)N(C)C1=O)c1ccc(Cl)cc1 1772736039 IBDVRMSVCPHWIJ-DHTRNYPVSA-N 425.966 6.087 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=Nc1nc(-c2ccccc2)cs1 1772739756 VENVEQIJJJSAJL-WEHZRUJJSA-N 425.966 6.087 30 10 IKEE COc1ccc(C(=O)C[C@H]2SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1 1772759994 KEHBYNGCHFUSBQ-XMMPIXPASA-N 444.556 5.721 30 10 IKEE COc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(=O)Nc3ccccc3C#N)oc2c1 1859770478 TZFLQEJYNOYAOE-UHFFFAOYSA-N 430.847 5.246 30 10 IKEE N#Cc1c(-c2ccccc2)ccnc1Nc1cccc(-c2csc(-c3ccncc3)n2)c1 1859861978 QCSPIFUEFSLWSW-UHFFFAOYSA-N 431.524 6.549 30 10 IKEE CC(C)(C)c1ccc(NC(=O)COc2ccc(NC(=O)c3cccc(C#N)c3)cc2)cc1 1860160132 XADFXNMMORKXPE-UHFFFAOYSA-N 427.504 5.126 30 10 IKEE COc1ccc(/C=C/C(=O)C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 1860723185 IUWUGPKJAQEZPX-MKMNVTDBSA-N 428.513 5.501 30 10 IKEE O=C(/C=C/c1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1 1860731141 ZIZZAWGVVBLJDK-VGOFMYFVSA-N 436.851 5.048 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CC(C)C)NC(=O)Cc1ccc(OCCC)c(C)c1 1860984614 LANRVCWWHCIEAS-HSZRJFAPSA-N 432.649 5.334 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)c1ccc(OCC(C)C)cc1 1861770959 MWDIKOULBZGYDY-SANMLTNESA-N 432.649 5.877 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(CCCC)cc2)n(-c2ccccc2Cl)n1 1862335154 SPOREHDUFLPSPH-UHFFFAOYSA-N 433.983 6.350 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(O)cc1)c1ccc(Cl)cc1Cl 1862383862 XUMAQIZZWOWNOX-IBGZPJMESA-N 432.303 5.220 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2ccc(N(CC)CC)cc2)cc1 1862394085 IDLRKWPLQGTUSD-VWLOTQADSA-N 448.607 5.864 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)c1 1862402239 UHKKIAICZSLETL-VZDNWZCBSA-N 449.547 5.169 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc2cc[nH]c2c1 1862432660 KATUNNMCFTZWSX-AECOYVPUSA-N 448.950 5.978 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc2cc[nH]c2c1)c1ccccc1Cl 1862432972 QZUAKRDESQBVCF-JOCHJYFZSA-N 434.923 5.732 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(Br)cc1 1862438277 KLWWCIBPBVBGIN-XIKOKIGWSA-N 448.744 5.479 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(Cl)cc1Cl 1862443948 RZXGOQCPBLUOLL-VOJFVSQTSA-N 438.738 6.024 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3c(F)cc(F)cc3F)[C@H]2c2ccccc2)c1 1862455880 DZBRYLFGXKDSMT-JOCHJYFZSA-N 437.417 5.191 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1 1862477034 RMURJZDKNDFBEW-JOCHJYFZSA-N 441.955 5.434 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCc2ccc(C)cc2)c1 1862477036 ROAVUDRCNRJPAW-RUZDIDTESA-N 441.527 5.133 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCc2cccs2)cc1 1862487351 YTVRIAAEUDHAOD-QHCPKHFHSA-N 431.557 5.494 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc3cc[nH]c3c2)ccc1F 1862504513 WBKJCNYEVIDRFQ-XMMPIXPASA-N 446.522 5.917 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 1862534538 TUNRUQYKZMERQS-QHCPKHFHSA-N 448.519 5.458 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc2cc[nH]c2c1 1862583525 CZSRAEXOJCNJEE-LJQANCHMSA-N 427.287 5.239 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(O)c2)=C(O)C(=O)N1CCc1ccc(Cl)cc1 1862589461 LGQNSQNRJDWTCH-QHCPKHFHSA-N 447.918 5.175 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)OCCO3)=C(O)C(=O)N1C1CCCCCC1 1862604666 HIMNERYRZLFNEM-DEOSSOPVSA-N 447.531 5.067 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1cccc2ccccc12 1862620097 KQSYJRBPDDAEJX-BVZFJXPGSA-N 441.571 6.514 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C(C)C)cc1OC 1862669718 CREYTNHKEJHPLP-HSZRJFAPSA-N 437.536 5.204 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(C(C)(C)C)cc3)C2=O)c1 1863023818 IRMUPDJEJNFMOQ-UHFFFAOYSA-N 449.554 5.869 30 10 IKEE Cc1cc(C2=C(Nc3cccc(Cl)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)ccc1F 1863093643 YURBQTWHMWLZGV-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE N#Cc1ccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(Cc3cccc(Cl)c3)C2=O)cc1 1863173158 FTYLYHDBNAXJCW-UHFFFAOYSA-N 448.309 5.257 30 10 IKEE Cn1nc(-c2ccccc2F)c(C#N)c1NC(=O)C(C)(C)c1ccc(Cl)cc1Cl 1866226523 FFWBUXZTWDIEQT-UHFFFAOYSA-N 431.298 5.321 30 10 IKEE C=CCN(CC=C)c1cc(N2CCO[C@@H](c3cccc(Cl)c3)C2)nc(C(C)(C)C)n1 1869187109 CRIIIYXBZPLPQG-HXUWFJFHSA-N 426.992 5.184 30 10 IKEE CCCCCCOc1ccc(C(=O)Nc2c(C#N)nnn2Cc2ccc(C(C)C)cc2)cc1 1870107384 GWVKWVZTQHVOSM-UHFFFAOYSA-N 445.567 5.533 30 10 IKEE C=CCn1cc(OCc2ccc(OC)c(F)c2)c(=O)cc1CNc1ccc(Cl)cc1 1870806671 UHLOFBLPZUUFRJ-UHFFFAOYSA-N 428.891 5.027 30 10 IKEE CCCCCCCOc1cn(C[C@@H]2CCCO2)c(CNc2ccc(F)c(F)c2)cc1=O 1870833855 WXYCDUZMCJIVDY-FQEVSTJZSA-N 434.527 5.267 30 10 IKEE CCCCCCCOc1cn(CCCCN(CC)CC)c(CNc2ccccc2)cc1=O 1870838341 ZJMARIUAMBASEZ-UHFFFAOYSA-N 441.660 5.932 30 10 IKEE CCCCCCCCn1cc(OCCOC(C)C)c(=O)cc1CNc1ccc(C)c(C)c1 1870986438 DIXQSYFUJJRKAJ-UHFFFAOYSA-N 442.644 6.242 30 10 IKEE C#CCOc1cn(CCc2ccc(OC)cc2)c(CNc2cccc(C(C)(C)C)c2)cc1=O 1871006551 LJCXDBWHDQICST-UHFFFAOYSA-N 444.575 5.021 30 10 IKEE C=CCn1cc(OCCCCOc2cccc(C)c2)c(=O)cc1CNc1ccc(CC)cc1 1871220825 AAUNTUMCFMKYSB-UHFFFAOYSA-N 446.591 5.755 30 10 IKEE CCCCCCCCCCN=c1nc2c(cnn2C)c(Nc2ccc(F)c(F)c2F)[nH]1 1871298557 AIJMXGHQEVMBJS-UHFFFAOYSA-N 434.510 5.499 30 10 IKEE Cc1ccc(CCC(=O)Oc2ccc3c(c2)O/C(=C\c2c(F)cccc2Cl)C3=O)cc1 1871366275 BNJPYHMJJVJPSK-UCQKPKSFSA-N 436.866 5.942 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OC(=O)c4cccc(OCC(C)C)c4)cc(C)c3C2=O)c1 1871381226 OEFGTVBOQYHCFS-MXAYSNPKSA-N 442.511 6.174 30 10 IKEE CC(C)(C)c1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCOc4ccccc43)C2=O)cc1 1871396274 YMRVLOJPZDAXCY-XYGWBWBKSA-N 441.527 5.705 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccco1)C2=O 1871402805 NCILLIFZRKAQCJ-CPEHUTGBSA-N 431.488 5.481 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OCCCOc4ccc(C)cc4)c3C)C2=O)cc1 1871407249 YPLUQMNDFDCSIA-UQQQWYQISA-N 430.500 5.776 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)o2)C3=O)c(C)c1 1871414064 RGVIECKVQLDCTD-OMMIQNFISA-N 431.488 5.535 30 10 IKEE Cc1c(OCC(=O)OCC(C)C)ccc2c1O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 1871427751 REMDTNNOXOPESV-MYYYXRDXSA-N 442.511 5.856 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3cc(C)cc(C)c3)cc(C)c2C1=O 1871454616 UJOOSWYGKMMJJI-CFRMEGHHSA-N 443.499 5.254 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(C)cc1C)[C@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1872537790 UBQDEBGQGITZIH-VGOFRKELSA-N 449.016 5.187 30 10 IKEE CC(=O)Nc1ccc(-c2nc([C@@H](C#N)C(=O)CSCc3ccccc3)sc2C)cc1 1872728297 WEUIZMKKVICVSV-FQEVSTJZSA-N 435.574 5.187 30 10 IKEE N#C[C@H](C(=O)CCCOc1ccc(Cl)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872763910 YFKZMAUJAZADAE-GOSISDBHSA-N 441.896 5.407 30 10 IKEE CCCCCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3cccc(Cl)c3)cs2)cc1 1872767006 RIOGBPVDRZJYNU-NRFANRHFSA-N 438.980 6.913 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)COc2cccc(C)c2C)n1 1872777562 QLXGRUHRYHDWAV-HXUWFJFHSA-N 448.588 5.988 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)c3ccc4cc[nH]c4c3)n2)cc1C(C)C 1872779104 BNWDJIRJTUBOID-HXUWFJFHSA-N 429.545 6.222 30 10 IKEE N#C[C@@H](C(=O)c1ccc2cc[nH]c2c1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872779548 MBMOCHYUZWOZTF-QFIPXVFZSA-N 435.508 6.574 30 10 IKEE COc1cc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(C)c(C)c3)cs2)ccc1OC(C)=O 1872783101 RHVWUNZKJIKCTP-ZGBFETHSSA-N 446.528 5.251 30 10 IKEE COc1cccc(C(=O)[C@H](C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)c1 1872786128 ZCXLJGUAXYTJBL-AWEZNQCLSA-N 433.316 5.624 30 10 IKEE COc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1 1872789332 GBHXSMMBIKZWIR-HNNXBMFYSA-N 432.954 5.569 30 10 IKEE COC(=O)c1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1 1872789728 SKQAXFFPOXEKGT-BTKRWWFXSA-N 428.922 5.201 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2C)C(=O)N([C@H]2CCCC[C@H]2C)C1=O 1873102220 IXSLUIUQLYWZGH-VWNXMTODSA-N 438.656 6.384 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C(C)C)[C@H]1c1ccccc1 1873935423 PSSFNDCPHGZSHW-SXOMAYOGSA-N 448.651 6.633 30 10 IKEE CSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1ccccc1Cl 1874198015 KFGDKPFWZLNMBA-PCLIKHOPSA-N 436.968 5.700 30 10 IKEE CCCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccc(OCC)cc1 1874256181 XJGGLBQSDAWOEK-MFKUBSTISA-N 438.597 5.565 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CCc3ccc(Cl)cc3)nnc2SC)cc1 1874281420 IARZKGVQWPYONZ-LFVJCYFKSA-N 428.989 5.500 30 10 IKEE COc1ccccc1OCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1ccco1 1874291630 ZDZDOVBXRIESJA-AFUMVMLFSA-N 448.548 5.250 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccc(C)cc3)n2/N=C/c2cccc(C)c2)cc1 1874348093 VZWJQMRNXBTSPP-WPWMEQJKSA-N 442.588 5.669 30 10 IKEE CCCSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1cccc(OC)c1OCC 1874359649 RQQCZKLNHXNUAU-PCLIKHOPSA-N 438.597 5.277 30 10 IKEE Cn1cccc1/C=N/n1c(CC2CCCCC2)nnc1SCc1ccccc1Cl 1874408360 SGLOYDMNJQNLKD-BUVRLJJBSA-N 428.005 5.567 30 10 IKEE CCCSc1nnc(-c2cccs2)n1/N=C/c1ccc(OCc2ccc(C)cc2)cc1 1874423897 KVVBRGNUFNPUIK-PCLIKHOPSA-N 448.617 6.278 30 10 IKEE Oc1ccccc1/C=N/n1c(SCc2cccc(Cl)c2)nnc1-c1cccs1 1874424268 CGKJDRGXKJWAGZ-WSDLNYQXSA-N 426.954 5.540 30 10 IKEE CC(C)(C)Cc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccccc1O 1874441026 FMAPWNCHXKXPHR-WYMPLXKRSA-N 432.952 5.539 30 10 IKEE Cc1ccc(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2c(Cl)cccc2Cl)cc1 1874442053 RBGIFQUIDKLKMI-OGBFJMLUSA-N 447.391 5.919 30 10 IKEE CCCOc1ccc(/C=N/n2c(CCOC)nnc2SCc2ccccc2Cl)cc1 1874472653 QFTNEOOCYWRPJM-BUVRLJJBSA-N 444.988 5.084 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874479893 XDMYAKRGVXQJDV-LPYMAVHISA-N 429.933 5.357 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(C3CCC3)n2/N=C/c2cccc3ccccc23)cc1 1874494491 OTVOJEOHUUEAGB-MFKUBSTISA-N 443.532 5.782 30 10 IKEE COCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1c(OC)ccc2ccccc12 1874501851 CVUSHFXUQAGUKV-VULFUBBASA-N 446.576 5.378 30 10 IKEE Cc1ccc(CSc2nnc(C(C)C)n2/N=C/c2cccc(Br)c2)cc1 1874508989 FVDXCYMNANUVSR-WSDLNYQXSA-N 429.387 5.647 30 10 IKEE CC(C)c1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1cccc2ccccc12 1874511650 INYOVCWBANCJNB-VULFUBBASA-N 447.539 5.307 30 10 IKEE COc1cccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CC2)c1OC 1874520646 SATLEAHJIAKIAX-FSJBWODESA-N 428.945 5.001 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Br)ccc1OCc1ccc(F)cc1 1874576759 FGXGMECAFATPGW-XYOKQWHBSA-N 441.296 6.072 30 10 IKEE O=C(/C=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccc(F)cc1F 1874577156 YYCDCKHQDAMUJW-OUKQBFOZSA-N 434.869 7.247 30 10 IKEE Cc1ccc(C(=O)/C=C/c2c(OCC(=O)NC3CCCCC3)ccc3ccccc23)c(C)c1 1874578864 KOGXJYZIDYMOFS-FOCLMDBBSA-N 441.571 6.180 30 10 IKEE O=C(/C=C/c1cccc(OCc2c(Cl)cccc2Cl)c1)c1cccc([N+](=O)[O-])c1 1874592860 GAKFWKKKSIFNRA-ZHACJKMWSA-N 428.271 6.377 30 10 IKEE CCc1ccccc1NC(=O)COc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OC 1874595056 RMFKUDUVVQLPCY-WYMLVPIESA-N 449.934 5.825 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(OC)c1OCc1ccc(F)cc1 1874612978 VVSUUGOCRZWEPC-KPKJPENVSA-N 438.445 6.316 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OCC(=O)NC1CCCCC1 1874613677 HMZSGCPVIHPMFK-FOCLMDBBSA-N 433.548 5.148 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OCc1c(Cl)cccc1Cl 1874618589 JBOIPKDQVROGFY-PKNBQFBNSA-N 441.354 7.094 30 10 IKEE CCOc1cccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(-c4ccccc4)cc3)c2)c1 1874693212 SVWNHHPOHQXJIE-XMHGGMMESA-N 448.518 6.868 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OC(=O)Cc1ccccc1[N+](=O)[O-] 1874704144 YMGFPHHAVMYHLX-YRNVUSSQSA-N 449.434 5.095 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1OC(=O)c1ccc(C)c(C)c1 1874710506 DIZIUHZPTNCQMA-DHZHZOJOSA-N 444.527 6.053 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2cccc(Br)c2)c1)c1ccc(F)c(F)c1 1874710717 IHACCQYMQRAPCZ-JXMROGBWSA-N 443.243 5.843 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cccc(OC(=O)[C@@H](C)c3ccccc3)c2)c1 1874711897 MOPLODHULNCROS-VISDOYDDSA-N 444.527 6.089 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)cc3)c([N+](=O)[O-])c2)cc1C 1875108340 KTCYBIPHDWANQC-DHZHZOJOSA-N 445.471 5.264 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc(Br)c1OC(=O)CC 1875109329 IXNSRPWITCQIQE-VQHVLOKHSA-N 447.325 5.376 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)cc([N+](=O)[O-])c1OC(=O)C1CCCC1 1875111962 PXFAPMHYGMBHBZ-VAWYXSNFSA-N 443.883 5.639 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3cccc(C)c3)c(OC)c2)cc1 1875112793 PDZOGQPDMBUVMA-KPKJPENVSA-N 436.891 5.781 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OC(=O)Cc1cc(C)ccc1C 1875112936 NTXOWWLMAVBETH-RIYZIHGNSA-N 444.527 5.755 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 1875129342 XATBHHFIAKYYBU-YRNVUSSQSA-N 427.283 6.117 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(Br)cc3)cc2)c1 1875137870 ISGDGWUZKCKTHF-NTEUORMPSA-N 449.344 6.110 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)Cc1ccc(C)c(C)c1 1875142324 VTELFTHFQJXADO-XYOKQWHBSA-N 446.518 6.194 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1sccc1C 1875150280 FINQKBXLOLSQAU-WUXMJOGZSA-N 434.557 6.478 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1 1875150446 NRUFWJFCYKMWLO-GXDHUFHOSA-N 444.483 5.384 30 10 IKEE Cc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc4ccccc34)cc2[N+](=O)[O-])c1 1875154917 CZVFRDIGPRNNTD-WYMLVPIESA-N 437.451 6.172 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)c1ccc(F)cc1 1875155784 ASFDRUALJYDPGS-LHHJGKSTSA-N 448.490 6.082 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 1875161535 VJKHNQPLSHHITC-GXDHUFHOSA-N 448.946 6.761 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)CC(C)(C)C 1875162209 CLBBYQKGCXTJBN-RMKNXTFCSA-N 436.882 6.255 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)COc1cccc(C)c1C 1875178989 OCAWULUEVQIOID-JLHYYAGUSA-N 444.527 5.809 30 10 IKEE CC1(C)OB([C@@]23C[C@@H]2CCN(Cc2cccc(Br)c2Cl)C3)OC1(C)C 1879796400 VDFKCHMTFZFCFP-IFXJQAMLSA-N 426.591 5.161 30 10 IKEE CCCCCCCCC[C@H](NCC)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1946522045 QVTYWNZEPADIDB-BJKOFHAPSA-N 434.665 6.215 30 10 IKEE C=C(CC)C[C@@H](NCCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997460268 WCWQOWNYIAABJP-ZEQKJWHPSA-N 430.633 5.555 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]12CC[C@@H](C[C@@H]1NC(=O)OC(C)(C)C)C2 1998056638 KLSHRFZDJXQCER-TUGCOKMYSA-N 428.617 5.211 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@H]1C[C@H]2CC[C@H]1CN(C(=O)OC(C)(C)C)C2 2005309143 DLLXNLKHUQZJGN-UEQSERJNSA-N 428.617 5.021 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)C1(C#N)CCC(CNC(=O)OC(C)(C)C)CC1 2030039601 GGDHFFJCEJVRMM-UHFFFAOYSA-N 443.588 5.714 30 10 IKEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@@H](C#N)c1ccc(Cl)c(Br)c1F 2036363151 SVAAXHYSRCORBG-JTQLQIEISA-N 445.638 5.606 30 10 IKEE C=C(OC)[C@@H](c1ccccc1)[C@H]([C@H](C(=C)OC)c1ccccc1)n1nnc2ccccc21 2069508152 MXBKNEQHJCUJTC-UQWUFBTJSA-N 425.532 5.860 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@]2(C)CCCN2C(=O)OC(C)(C)C)c1 2076987104 SDTPISOJQYWJIR-NTKDMRAZSA-N 445.560 5.118 30 10 IKEE Cc1ccc([C@@H](C(C)C)n2nc(C(C)(C)C)c(C#N)c2I)c(F)c1 2079100743 PELVCAJZVJVYHX-MRXNPFEDSA-N 439.316 5.350 30 10 IKEE CCc1nn([C@@H](c2ccc(C(F)(F)F)cc2F)C2CCC2)c(Br)c1C=NO 2079878044 IHCUBRUZFRLFPL-MRXNPFEDSA-N 448.258 5.564 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(C)c1Br)NCCC 2087876436 DVIQIVINRUPZMU-ZWKOTPCHSA-N 425.411 5.138 30 10 IKEE C[C@@H](N(CCOc1cccc(B2OC(C)(C)C(C)(C)O2)c1)Cc1ccccc1)C(C)(C)C 2095898065 MREORXBYGUNSNA-OAQYLSRUSA-N 437.433 5.301 30 10 IKEE CC(C)(C)OC(=O)N1CCCCC[C@H]1CNc1ccc(C#N)c(Br)c1F 2105985621 OAPLIMVHTOSXBA-AWEZNQCLSA-N 426.330 5.051 30 10 IKEE C=C1CC(C[C@@H](NCCC)c2cc(I)ccc2Br)C1 2125736127 RJOHGNZUPUIPFN-MRXNPFEDSA-N 434.159 5.451 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(C)ccc(Br)c1F 2159124514 ILMDODOKNWQHTE-APWZRJJASA-N 441.385 5.244 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H](CCNc2cc(Br)cc(F)c2C#N)CC1 2163691173 CYPIBPYZUJTILM-AWEZNQCLSA-N 440.357 5.299 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](CNc2cc(Br)ccc2C#N)[C@@H]2CCCC[C@H]21 2179389815 JBJVWKOQXBOTNW-VDZJLULYSA-N 434.378 5.158 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](Nc2cc(Br)c(C#N)cc2F)[C@@H]2CCCC[C@H]21 2179392023 ZPUHLXMKTKHDHN-DOPJRALCSA-N 438.341 5.050 30 10 IKEE Cc1ccc(NC(=O)c2cc(Br)cc(NC(=O)OC(C)(C)C)c2)cc1C#N 2199374632 RNPHZGLQKKOCDP-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 2215220746 ZSIIRMOHYSLTOF-QHCPKHFHSA-N 447.963 5.375 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Cl)c(Nc2ncccc2B2OC(C)(C)C(C)(C)O2)c1 2224136782 JJJXWNKBPZEKBA-UHFFFAOYSA-N 445.756 5.125 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)C[C@H](NC(=O)OC(C)(C)C)C(C)C 2235748335 YHQQUKYTXATTEG-ICSRJNTNSA-N 437.422 5.108 30 10 IKEE C=C1CC(C[C@H](NCC)[C@H](Cc2ccc(Br)cc2)NC(=O)OC(C)(C)C)C1 2237397779 GSNDOMVRNUITKW-PMACEKPBSA-N 437.422 5.219 30 10 IKEE C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)[C@H]1C[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2247817401 UBQKXUITERWHFE-YSIASYRMSA-N 425.403 5.710 30 10 IKEE CCN[C@@H](C#CC1CCCCC1)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2260993012 SALUKAZKVXSTRQ-DEOSSOPVSA-N 440.628 5.002 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)c1ccccc1NC(=O)OC(C)(C)C 2262200789 VHWRCYMQLIEDLJ-QHCPKHFHSA-N 441.524 5.339 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CN[C@H]2CCCC[C@H]2C1 2279720730 XHYFNVQHZODHNT-HZUJVAHNSA-N 434.378 5.005 30 10 IKEE C=C(C)CCCC[C@@H](NC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2287468553 WBSVVZVAAIMKGG-UXHICEINSA-N 439.438 5.609 30 10 IKEE CCCC[C@@H](C[C@@H](C#Cc1cccc(Br)c1)NCC)NC(=O)OC(C)(C)C 2296269817 SMMPSOVMVPVAGS-UXHICEINSA-N 437.422 5.252 30 10 IKEE C[C@@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC(=Cc1ccc(C(F)(F)F)cc1)C2=O 2296741690 LJQHVTRFOZQNII-QLOWITMTSA-N 444.537 6.592 30 10 IKEE COc1cc(C=C2Oc3cc(OCc4ccc(F)cc4)ccc3C2=O)cc(OC)c1OC 2296867451 QJBLREXFHTZXMP-UHFFFAOYSA-N 436.435 5.047 30 10 IKEE COc1ccc(C=C2SC(=Nc3ccccc3OC)N(c3ccccc3OC)C2=O)cc1 2296880237 XOMWYVHPOKFGDA-UHFFFAOYSA-N 446.528 5.521 30 10 IKEE C=CCc1cc(C=C2SC(=NC)N(C)C2=O)cc(OCC)c1OCc1cccc(C)c1 2313556366 XDXBQOFZMINSAR-UHFFFAOYSA-N 436.577 5.233 30 10 IKEE CC(C)[C@@H]1C[C@H](Nc2ccc(Br)cc2C#N)CN1C(=O)OCc1ccccc1 2321514236 IVYKVXAHOOSBDQ-FPOVZHCZSA-N 442.357 5.168 30 10 IKEE Cc1nnc(SCc2ccc(Br)cc2)n1N=Cc1ccc2cc[nH]c2c1 2321758150 WOTVJFQIITZLFH-UHFFFAOYSA-N 426.343 5.005 30 10 IKEE CCn1cc(C=C2Oc3c(ccc4c3CN(CCCOC(C)C)CO4)C2=O)c2ccccc21 2322023947 KGQAWGRQXZJRNN-UHFFFAOYSA-N 446.547 5.244 30 10 IKEE COc1cccc(C=C2Oc3c(ccc4c3CN([C@@H]3CCCC[C@H]3C)CO4)C2=O)c1OC 2322146011 MBXIWYLIWLHYQS-OXQOHEQNSA-N 435.520 5.051 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc3c2CN(Cc2cc(C)ccc2C)CO3)C1=O 2322170762 OAYIJGPEMIHJOC-UHFFFAOYSA-N 441.527 5.670 30 10 IKEE COc1ccccc1CN1COc2c(cc3c(c2C)OC(=Cc2sccc2C)C3=O)C1 2322318984 PVZCEZNFOHYMNS-UHFFFAOYSA-N 433.529 5.342 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(Cl)cc2)c1OCc1ccc(Cl)cc1 2322528621 GJKDGCTZIPEEHG-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OCC(=O)Nc1ccc(C)c(C)c1 2323168787 BTXYRSXMQUJMNG-UHFFFAOYSA-N 447.506 5.673 30 10 IKEE C=CCOc1c(Br)cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1OC 2323353125 MQBUNTKRYSMOGI-UHFFFAOYSA-N 449.344 6.586 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCCC)c([N+](=O)[O-])c2)cc1OCCC 2323745105 DAXPARPIYHUTIF-UHFFFAOYSA-N 427.497 5.857 30 10 IKEE O=C1C(=Cc2ccccc2)Oc2c1ccc(O)c2CN1CCC(Cc2ccccc2)CC1 2324029716 FUGYTVZEYOPVGI-UHFFFAOYSA-N 425.528 5.463 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@](C#N)(N(C(=O)OC(C)(C)C)c1cccc(F)c1)C2 2324107634 ANWGWEKBSRXTNO-TVVUZDRGSA-N 445.535 5.249 30 10 IKEE COc1cccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccc(C)cc4)cc(C)c3C2=O)c1 2324375727 DDIKRELJGAWGPL-GOSISDBHSA-N 443.499 5.334 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)c1OCc1cccc(Cl)c1 2324431273 QIRLHEKDJIXJIT-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OCc1cc(C)ccc1C 2324439311 MBCHKVASJGPSAZ-UHFFFAOYSA-N 430.544 6.413 30 10 IKEE Cc1c(OCc2ccc(C(=O)OC(C)C)cc2)ccc2c1OC(=Cc1ccncc1)C2=O 2324607231 XROZREJQNDYZPQ-UHFFFAOYSA-N 429.472 5.150 30 10 IKEE CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1)OC(=Cc1cn(CC)c3ccccc13)C2=O 2325079464 YNFRYOOUHPIHOZ-JOCHJYFZSA-N 433.504 5.388 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccc(F)cc1)C2=O 2325142045 WMVZRWZPHTXENE-GOSISDBHSA-N 445.490 5.773 30 10 IKEE Fc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccccc2F)cc1 2325448725 KODBROYVXKXLKC-UHFFFAOYSA-N 434.515 5.516 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccc(O)c(OCC)c1 2325528861 ZSWKYCJLOVFYMI-UHFFFAOYSA-N 438.597 5.516 30 10 IKEE CC(C)(C)c1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1 2325552434 NEBZPGMXDLSWNE-UHFFFAOYSA-N 445.490 5.757 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2Cl)cc1OC(=O)Cc1cc(C)ccc1C 2325716706 IQYSQPJEQQOOMZ-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE Cc1cc(OCC(=O)Oc2cccc(C=CC(=O)c3cccc(Cl)c3)c2)ccc1Cl 2325728410 XEQOTWQMJDVQKF-UHFFFAOYSA-N 441.310 6.182 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OC(=O)c1cc2ccccc2n1C 2325737959 XASKSUPUFUXLLR-UHFFFAOYSA-N 425.484 5.611 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)CCCOc3c(C)cccc3C)c2)cc1 2325738394 QKMJSCZJQSYXOA-UHFFFAOYSA-N 428.528 6.273 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2cccc(OC(=O)c3cccc(F)c3)c2)cc1Cl 2325766934 QMHSPBABCXBHDU-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccccc1O 2326072211 PREZQSMLZTYGNQ-UHFFFAOYSA-N 442.972 5.199 30 10 IKEE Cc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1ccc(OCC(C)C)cc1 2326322665 JBCHOTJTHBFXEF-UHFFFAOYSA-N 436.625 6.093 30 10 IKEE CCCSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1ccccc1Cl 2326341904 RWKXTXNNXNNABM-UHFFFAOYSA-N 443.016 5.890 30 10 IKEE CCCCCCOc1ccc(C=Nn2cnnc2SCc2ccc(C#N)cc2)cc1OC 2326673272 SQGUJDPIWHQMFH-UHFFFAOYSA-N 449.580 5.292 30 10 IKEE C=C(C)CSc1nnc(COc2cc(F)ccc2F)n1N=Cc1cccc(OCC)c1 2327460043 QGAWPTQVVQARME-UHFFFAOYSA-N 444.507 5.084 30 10 IKEE Cc1ccc(CSc2nnc(COc3c(C)cccc3C)n2N=Cc2cccnc2)cc1 2328545479 JFPRUORSXDYXOC-UHFFFAOYSA-N 443.576 5.352 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccncc2)c(C)c1 2328880861 XULMWTMCYZRHDF-UHFFFAOYSA-N 447.539 5.183 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2F)n1N=Cc1ccccc1F 2329486873 LGDHLSPWOYTLMH-UHFFFAOYSA-N 448.542 5.824 30 10 IKEE CCCCOc1ccc(C=Nn2c(SC)nnc2-c2ccccc2Cl)cc1OCC 2329522031 GKVHOCLTFGAGIW-UHFFFAOYSA-N 444.988 5.780 30 10 IKEE Fc1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2-c2ccccc2Cl)cc1 2329551672 CQSKUJOSVMWOER-UHFFFAOYSA-N 440.906 6.051 30 10 IKEE C=C(C)CSc1nnc(CCc2cccs2)n1N=Cc1ccccc1OCCC 2329662438 VPSDCZJDFDFIHH-UHFFFAOYSA-N 426.611 5.464 30 10 IKEE COc1ccc(C=Nn2c(Cc3ccccc3F)nnc2SCc2ccccc2C)cc1 2329703423 UJZSEAXCRYGPCG-UHFFFAOYSA-N 446.551 5.500 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3F)n2N=Cc2ccccc2O)c1 2329717180 BHWIPPKDQNRTOK-UHFFFAOYSA-N 432.524 5.197 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3cccc(C)c3)c(OC)c2)c1 2330773197 MPXHCVUJXLUKMA-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE Cc1ccccc1C=Nn1c(CC(C)(C)C)nnc1SCC(=O)Nc1ccccc1C 2330824146 QFUWWHZFSIODOA-UHFFFAOYSA-N 435.597 5.097 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)CC(C)(C)C)c(OC)c2)cc1C 2330857333 RBPWSCCKTOLSCI-UHFFFAOYSA-N 426.509 5.259 30 10 IKEE Cc1ccccc1CSc1nnc([C@@H]2CCCO2)n1N=Cc1ccccc1OC(C)C 2330896232 OJQPFFCEFGOGAJ-QFIPXVFZSA-N 436.581 5.400 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccco3)n2N=Cc2ccccc2C)c1 2331182941 MCNJBDVTDPRHHU-UHFFFAOYSA-N 445.548 5.076 30 10 IKEE Fc1ccccc1C=Nn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccco1 2331225619 BHVUTTBAQZZHAX-UHFFFAOYSA-N 447.322 6.159 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H](Cc3ccccc3)c3ccccc3)cc2)cc1 2331259255 HAWKYMYLZHSYIV-LJAQVGFWSA-N 446.546 6.823 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CCCC)nnc1SCc1ccc(Cl)cc1 2331345269 BJNRCIOWGMLEGY-UHFFFAOYSA-N 441.000 6.013 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(C(C)(C)C)n1N=Cc1ccc(C)cc1 2331376295 RGUXXRKSFAPNBH-UHFFFAOYSA-N 435.597 5.059 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCCO4)cc2Cl)cc1 2331398353 LOVGRPCKLMCSEB-UHFFFAOYSA-N 448.902 5.464 30 10 IKEE CCCC(=O)Oc1ccc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)cc1Cl 2331636708 NWXJKMTXERHIJA-UHFFFAOYSA-N 427.711 6.257 30 10 IKEE CCCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1N=Cc1ccc(C(C)C)cc1 2331649111 CCHWCZKFFCTGDN-UHFFFAOYSA-N 449.624 5.584 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(C(C)C)n2N=Cc2ccc(C(C)C)cc2)c1 2331669997 FHKWVGSERVRRMQ-UHFFFAOYSA-N 449.624 5.755 30 10 IKEE COC(=O)c1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C(C)C)cc1 2331707209 VWMAHEPOMZHCSK-UHFFFAOYSA-N 428.945 5.016 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OC 2331715195 PUBUIMLXZBEPAQ-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3sccc3C)c(Cl)c2)c(OC)c1 2331717525 DKDWFMLYGBMIJP-UHFFFAOYSA-N 442.920 5.842 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3cccc4ccccc34)cc2)c(C)c1 2331762872 ZETMKPQXSIXDHZ-UHFFFAOYSA-N 434.535 6.809 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1ncc(C(F)F)s1 2343569196 IVUBPYDCWYXLED-GFCCVEGCSA-N 444.301 5.850 30 10 IKEE COC1(C#CC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2Br)CCCCC1 2363728345 SHFXKKPSWIVICU-UHFFFAOYSA-N 436.346 5.332 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](N)c2c(C)c(C)c(Br)c(C)c2C)C1 2375333713 RMLLKCOUZVECLQ-IBGZPJMESA-N 437.422 5.544 30 10 IKEE CCN(C(=O)CSc1nc2ccccc2n1Cc1ccccc1C#N)c1ccccc1 8609271 CDQLYRWDZHZOLQ-UHFFFAOYSA-N 426.545 5.101 30 10 IKEE Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(-c4ccc([N+](=O)[O-])cc4)c32)cc1 20134794 HPAJNZJCAJFVDT-FQEVSTJZSA-N 428.492 5.494 30 10 IKEE CC[C@@H](C)/N=C1\OC(c2ccccc2)(c2ccccc2)C1(c1ccccc1)c1ccccc1 32232478 AWZBDXQXGYSILP-YYPLBKOFSA-N 431.579 7.144 30 10 IKEE Cc1ccc(COc2ccc(/C=C3\S/C(=N/c4nc(C)cs4)N(C)C3=O)cc2)cc1 39865165 KVBPSJQNXOXBBV-ROIOHNFESA-N 435.574 5.573 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1cccc2ccccc12 40079493 UZYANHHWJDGYLF-RUZDIDTESA-N 443.543 6.005 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1ccc(Cl)cc1 40098227 SYYFNUGHTPTDKR-HXUWFJFHSA-N 439.895 5.473 30 10 IKEE CCOc1ccc(Br)cc1/C=C\C(=O)Nc1sc2c(c1C#N)CCCC2 98027951 RFLFFEMZOSMKBH-YFHOEESVSA-N 431.355 5.312 30 10 IKEE CCCCCCCCCCSc1nc2ccccc2n1C(=O)c1ccccc1C(=O)O 100836208 VSGSSKDNZVHLTK-UHFFFAOYSA-N 438.593 6.656 30 10 IKEE COc1ccc(C(=O)/C=C\Nc2cccc(N/C=C\C(=O)c3ccc(OC)cc3)c2)cc1 101510477 XIROYRISFHYXKK-RYOQUFEFSA-N 428.488 5.321 30 10 IKEE CCCCCCCCCCCn1c([C@H](C)NC(=O)c2cccc(OC)c2)nc2ccccc21 102223857 FOBLQKARJMVOFL-QFIPXVFZSA-N 449.639 7.067 30 10 IKEE O=C1/C(=C/C=C\c2ccccc2)Oc2cc(OS(=O)(=O)c3ccc(Cl)cc3)ccc21 102719287 DMZXBOSPPFZBPO-REZSQNNYSA-N 438.888 5.280 30 10 IKEE COc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 103746899 TVTPZHKLTNSPTA-UHFFFAOYSA-N 431.254 6.004 30 10 IKEE COc1ccc(/C=C2/CC[C@]3(C[C@@H]4CCCC[C@]4(O)O[C@@H]3c3ccc(OC)cc3)C2=O)cc1 104231812 LHZZMHLXKOFUGQ-SDZYMZKASA-N 448.559 5.477 30 10 IKEE COc1cc(/C=N\n2c(C)nnc2SCc2ccccc2)ccc1OCc1ccccc1 138209835 DEQJXGFBPOGHCY-QQXSKIMKSA-N 444.560 5.349 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N(C1CCCCC1)C1CCCCC1 143097320 AWKHLAGZISFWRZ-UHFFFAOYSA-N 447.792 9.742 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccc(OC)c2)cc1 169928446 KVIPKGQBLAKNGN-QFIPXVFZSA-N 433.529 5.098 30 10 IKEE CCCCCCCCCOc1ccc([C@H]2CC(=O)c3ccccc3N2)cc1Br 169940679 CAJLYHBDDHJNIE-JOCHJYFZSA-N 444.413 7.318 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc([N+](=O)[O-])cc2)=C(N2C[C@@H](C)C[C@@H](C)C2)C1=O 169979149 DMNHOSGJLVSHSR-KDURUIRLSA-N 441.572 5.013 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2sccc2C)cc1 170105953 PVYZEFBVSNJXDM-NRFANRHFSA-N 449.528 5.165 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccc(O)cc2)cc1 170133189 ZKGMXQZBKZTLGM-VWLOTQADSA-N 435.479 5.637 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 170142478 HFZKIRBLMAJQBC-QFIPXVFZSA-N 428.875 5.303 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@@H]1c1ccc(C(C)(C)C)cc1 170150314 LSDKQHBQRLSJQD-QHCPKHFHSA-N 435.564 5.598 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cccc(OC(C)C)c1 170153249 MWSRCBVBXHDCQU-XDHUDOTRSA-N 449.547 5.176 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@@H]1c1cccs1 170158504 LPHLHVKEKUFRRT-JOCHJYFZSA-N 449.528 5.165 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1ccccc1 170224687 XRRGIICUNPGSJF-XMMPIXPASA-N 441.527 5.781 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(F)cc2)c1 170239769 DHCUCPMQZSMPMB-QHCPKHFHSA-N 431.463 5.316 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccccc1F)c1ccc2ccccc2c1 170246987 DRVSWYGDCAKJQK-HSZRJFAPSA-N 443.499 5.819 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccc2C)c(OC)c1 170273071 XXTSNYPYWQGLCW-XMMPIXPASA-N 443.499 5.104 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccco1 170287987 WFBPCLNLUHSJIM-QHCPKHFHSA-N 447.487 5.106 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)(C)C)c2)[C@@H]1c1ccco1 170294736 FCAUNUXFPWSFKR-QFIPXVFZSA-N 439.552 5.744 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2ccc(C)o2)cc1 170297771 PSSVUUWYDMGGAS-HSZRJFAPSA-N 447.487 5.168 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2sccc2C)ccc1F 170313950 PNCLYMSZGXFYFW-LJQANCHMSA-N 425.456 5.426 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(OC(C)C)cc2)cc1 170346858 CGMLRWAITCKFHW-JOCHJYFZSA-N 449.528 5.327 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]1c1cccs1)c1cccs1 170415948 YHJNRDADNOLHQS-QGZVFWFLSA-N 449.475 5.607 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(C(C)C)cc1 170422130 KURPILJDMZOPIO-VWLOTQADSA-N 441.527 5.597 30 10 IKEE CCOc1ccc2c(c1)O/C(=C/c1ccc(OC(=O)/C=C/c3ccccc3)c(OC)c1)C2=O 210088853 RAZFZLJHUSYZKE-PVJPJQHOSA-N 442.467 5.329 30 10 IKEE CCC[C@@H]1S/C(=N/N=C/c2ccccc2OC)N(Cc2cccc3ccccc23)C1=O 229891434 CELIVHCDEHZDQM-LPKHAAKTSA-N 431.561 5.483 30 10 IKEE CC[C@H](C)Oc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccccc1)C2 253566043 IMAUOVYJEXBFTF-GPSJFFNLSA-N 438.571 6.843 30 10 IKEE CN(C)C=Nc1nc(-c2ccccc2)c(C(=O)Nc2ccc(-c3ccccc3)cc2)s1 254799186 ZNUMDLTXCRVZPS-UHFFFAOYSA-N 426.545 5.951 30 10 IKEE CCOC(=N/C(=N/S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccc(C)cc1 254828681 TZCUUCVASQVFQS-WZUVBOSSSA-N 440.952 5.267 30 10 IKEE C=C1CC[C@]2(C)[C@H](O)C[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2[C@@H]1C 257446862 IOPDFSGGBHSXSV-CAMLRRAWSA-N 442.728 6.996 30 10 IKEE endogenous,in-man C=C1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2[C@H]1C 257633909 XWMMEBCFHUKHEX-IKEKUZPUSA-N 426.729 8.025 30 10 IKEE endogenous,in-man COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2sccc2C)c1 526490773 PLGQGDDYTCTONN-OAQYLSRUSA-N 432.501 5.003 30 10 IKEE CCOc1cc(/C=N\n2cnnc2SCc2c(Cl)cccc2Cl)ccc1OC 526813987 IDVMSUGFQJSQJY-RMORIDSASA-N 437.352 5.167 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccccc1OCC(C)C 526817654 SSIGIRSTANYGPF-ROTLSHHCSA-N 446.979 5.842 30 10 IKEE N#Cc1ccccc1NC(=O)Nc1cccc(C(=O)NC2CCCCCCCCCCC2)c1 586699992 SPUOTTCAUNQYLN-UHFFFAOYSA-N 446.595 6.605 30 10 IKEE C=CCCCCC[C@H](NCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 693700921 IQQXKZZPGBMRGF-DEOSSOPVSA-N 443.676 5.661 30 10 IKEE CCCCCCCCCC[C@H](N)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 693710732 XYHAHKYEHFWFIM-IGKIAQTJSA-N 445.692 6.014 30 10 IKEE COC[C@@]1(OC)CC[C@@H]2[C@H]3CCC4=CC(=O)CCC4=C3[C@H](c3ccc(/C=N/O)cc3)C[C@]21C 1083575502 GJMNAFGEUJBOCE-RRMBEZSWSA-N 449.591 5.426 30 10 IKEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc2c(nc1O)CCC(C)(C)C2 1542727545 FUASZALRENHAIS-UHFFFAOYSA-N 447.348 5.032 30 10 IKEE N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)Cc2nnc(O)c3ccccc23)cc1 1584067809 DMQHFGVALCNYBF-UHFFFAOYSA-N 446.919 5.193 30 10 IKEE CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)O[C@H](C#N)c1cccc(/C=C/c2ccccc2)c1 1614381249 ZBZHTGMFIGHSJW-XVMBDLJSSA-N 426.343 6.556 30 10 IKEE Cc1cc(N=Nc2ccccc2C)ccc1N=Cc1cn(Cc2ccccc2)c2ccccc12 1772743418 ZNFNMAJJQULZRM-UHFFFAOYSA-N 442.566 8.472 30 10 IKEE C=CCN(CC=C)c1cc(-c2cc3cnccc3c(NCCCOCCCC)n2)ccn1 1857832661 SBRDBGMOYMYSEG-UHFFFAOYSA-N 431.584 5.489 30 10 IKEE N#Cc1ccc(NC(=O)c2ccc(NC(=O)CCc3ccc(Br)cc3)cc2)cc1 1860916036 TYNAWJAQWDJUEM-UHFFFAOYSA-N 448.320 5.144 30 10 IKEE CCCCCCCCNC(=O)[C@H](NC(=O)/C=C/c1ccc(C(C)C)cc1)c1ccccc1 1861550920 XHGLPBSQYJOXPO-KLIIMXHUSA-N 434.624 6.157 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C)cc2)cc1 1862390096 VQIIGJFNXZQSBC-DEOSSOPVSA-N 429.516 5.709 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@H]2c2ccc(N(CC)CC)cc2)cc1 1862394882 RJXIYSQZXYZNTI-DEOSSOPVSA-N 434.580 5.474 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1cccc(O)c1 1862411861 QKIFTWUDMHOVQO-QFIPXVFZSA-N 443.490 5.609 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1c(F)cccc1Cl 1862459511 BHGFCGBEKPBSEY-LZVRBXCZSA-N 441.808 5.273 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc(OCc2ccccc2)c1 1862483592 FVCAJRGSKHKSIQ-DEOSSOPVSA-N 427.500 5.172 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2c(F)cccc2Cl)cc1 1862532675 YCANGAKQDRIWSM-OAQYLSRUSA-N 429.919 5.666 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 1862537347 SZIHBTHPSBZMRB-XMMPIXPASA-N 449.591 5.551 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cccc(Cl)c2)cc1 1862672657 FBSHJSHOEBWUTA-HSZRJFAPSA-N 449.909 5.820 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2cccc(F)c2)c1 1862702777 LZQCLRCCEIJYJB-MWTRTKDXSA-N 431.463 5.174 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(O)cc1 1862724826 VBXWLCMLDUAYKH-DEOSSOPVSA-N 427.500 5.294 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC[C@@H](C(=O)CCCc3ccccc3)C2)nc(CC)n1 1869142066 XGLNXNHRRGRWHS-HSZRJFAPSA-N 432.612 5.026 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN([C@H]2CCCC[C@H]2C)C4)c1 1871351314 UMJLATCJXAWEOB-HCKRQRIGSA-N 449.547 5.359 30 10 IKEE Cc1c(OC(=O)CCCOc2ccccc2)ccc2c1O/C(=C\c1ccccc1Cl)C2=O 1871371091 JXAGQTCXCUGLNK-KQWNVCNZSA-N 448.902 6.029 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OC(=O)CCCOc3ccccc3C)cc(C)c2C1=O 1871371440 PUDXWDZWYADMLD-XYGWBWBKSA-N 442.511 5.993 30 10 IKEE CCCOc1ccccc1/C=C/C(=O)Oc1cc(C)c2c(c1)O/C(=C\c1ccncc1)C2=O 1871375844 GPBLIDCPMBGEGS-UFTOLZQXSA-N 441.483 5.414 30 10 IKEE CCc1ccc(OCCCOc2cc(C)c3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1 1871413278 XKBQIGTVZPWOIT-ONUIUJJFSA-N 428.528 6.330 30 10 IKEE COc1ccc(-c2c(C)oc3cc(OCc4ccc(C#N)cc4)ccc3c2=O)cc1OC 1871417866 UITOSDQZIVQMCA-UHFFFAOYSA-N 427.456 5.236 30 10 IKEE CCCCCCCCCOc1ccc2c(c1C)O/C(=C\c1c(Cl)cccc1Cl)C2=O 1871429625 LPJIAOMDDPOOON-KQWNVCNZSA-N 447.402 8.047 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O 1871431211 IZRIFQINQABTNP-ICODJCHTSA-N 447.918 5.979 30 10 IKEE Cc1ccc(CCOc2ccc3c(c2C)O/C(=C\c2cccc(Br)c2)C3=O)cc1 1871437531 GEGLKONULJQMBJ-HAHDFKILSA-N 449.344 6.304 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccccc3C(C)C)ccc2C1=O 1871456053 KEMNCVDCQKOBSR-QFEZKATASA-N 443.499 5.452 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(C(C)C)cc2)[nH]c(N(C)CCO)n1 1871507123 OZYOXSKKKNGNEP-UHFFFAOYSA-N 442.652 5.142 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 1872777058 FIUNPFAKMXABRN-SFHVURJKSA-N 449.532 5.823 30 10 IKEE COc1c(Cl)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)c2ccc([N+](=O)[O-])cc2)n1 1872778272 HQMNTCNDYLCUCH-CQSZACIVSA-N 448.287 5.524 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(C)c(C)c3)n2)c(OCC)c1 1872783543 CFEPDOJQIHXGGG-OAQYLSRUSA-N 434.561 5.643 30 10 IKEE Cc1ccc(CCNC(=O)c2cccc(CSc3nc(C)c(C)c(C)c3C#N)c2)cc1 1872893188 LNMRIXCDCPCVIN-UHFFFAOYSA-N 429.589 5.452 30 10 IKEE COc1ccc(CNC(=O)c2ccc(CSc3nc(C)c(C)c(C)c3C#N)cc2)cc1 1872895224 ITBNTDMKTYRVSQ-UHFFFAOYSA-N 431.561 5.109 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccccc1OC 1874266825 QGSYFIGSSULKOS-FSJBWODESA-N 428.945 5.070 30 10 IKEE CCCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc(OCC)cc1 1874279956 WBWFZLQLALFBOC-LFVJCYFKSA-N 428.989 5.500 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2)n1/N=C/c1cccc2ccccc12 1874317944 SQHKGKJPQPTZOH-LGUFXXKBSA-N 430.577 5.827 30 10 IKEE Cc1ccc(CSc2nnc(CCc3cccs3)n2/N=C/c2ccccc2O)cc1 1874369120 LAHNTWOFTSQFMB-BUVRLJJBSA-N 434.590 5.313 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1ccc(N(CC)CC)cc1 1874389368 NZVCHCQLFKETRY-YZSQISJMSA-N 433.625 5.574 30 10 IKEE Cc1ccc(CSc2nnc([C@H](C)c3ccccc3)n2/N=C/c2ccc(F)cc2F)cc1 1874392422 LNSRQTXVTFUZBZ-OVNWTWFZSA-N 448.542 6.191 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2[C@H](C)c2ccccc2)cc1 1874393985 DEDFMXDJHLAUMN-BWJYWGHISA-N 430.552 6.052 30 10 IKEE COc1ccccc1/C=N/n1c(CCc2ccccc2)nnc1SCc1ccccc1 1874402652 HGQPEJMOTOTAJG-NLRVBDNBSA-N 428.561 5.246 30 10 IKEE CCOc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccccc2)cc1 1874403129 VNOUGZMFOJASBA-ZXVVBBHZSA-N 442.588 5.637 30 10 IKEE Cc1ccccc1CSc1nnc(CC(C)(C)C)n1/N=C/c1c(Cl)cccc1Cl 1874437248 RPYRHFPCOCVYPF-DHRITJCHSA-N 447.435 6.656 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C(F)(F)F)c(F)c1 1874461570 UOSXOPKDYBUODU-KTZMUZOWSA-N 432.805 5.403 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1/N=C/c1cccc(OC)c1OCC 1874478190 SVTSESGQOZVRSX-PCLIKHOPSA-N 438.597 5.511 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc(Cl)c2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874485614 FNAJGVVEOLWULZ-WSDLNYQXSA-N 429.933 5.312 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc(CC)cc1 1874510653 TZIQUSXWWAWSET-ZMOGYAJESA-N 433.408 6.274 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C(C)C)c1OC 1874515769 PAWDZHPGWVWINU-FSJBWODESA-N 430.961 5.247 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1c(F)cccc1Cl 1874525889 KPPORCCGUIVSEN-NUGSKGIGSA-N 443.762 6.114 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1/N=C/c1cccnc1 1874541909 YLJDTOQVCXWNQP-ZVHZXABRSA-N 448.379 5.152 30 10 IKEE Sc1nnc(Cc2cccc3ccccc23)n1/N=C/c1cccc(Oc2ccccc2)c1 1874565521 FKRGJAOISLFWOE-OVVQPSECSA-N 436.540 5.985 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c1OCc1cc(C)ccc1C 1874570219 SCRIFJNGRMMMOI-VHEBQXMUSA-N 448.562 7.454 30 10 IKEE CCOc1c(Br)cc(Br)cc1/C=C/C(=O)c1cccc(OC)c1 1874572604 WPOHGARPFXTKAR-BQYQJAHWSA-N 440.131 5.515 30 10 IKEE COc1cccc(/C=C/C(=O)c2cccc(Br)c2)c1OCc1ccccc1F 1874575238 CNIMISHRKZKRKZ-OUKQBFOZSA-N 441.296 6.072 30 10 IKEE CCOC(=O)c1ccc(COc2ccc3ccccc3c2/C=C/C(=O)c2ccc(C)cc2)o1 1874579348 JMTHEISLHLWABY-CCEZHUSRSA-N 440.495 6.393 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(Cl)cc(OC)c1OCC(=O)OCC(C)C 1874581604 WQSVCDLHVUPDDP-BQYQJAHWSA-N 446.927 5.140 30 10 IKEE Cc1ccc(COc2ccc3ccccc3c2/C=C/C(=O)c2cccc3ccccc23)cc1 1874583442 NDXDIRJEFAMARO-VHEBQXMUSA-N 428.531 7.777 30 10 IKEE CCc1ccc(NC(=O)COc2cc(/C=C/C(=O)c3ccc(C)c(C)c3)ccc2OC)cc1 1874599100 VIUBRNOZNNSQAX-NTEUORMPSA-N 443.543 5.788 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2cccc(OCc3cccc(F)c3)c2)cc1Cl 1874599930 KYPWLHHTHPPRGM-CMDGGOBGSA-N 431.290 6.616 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 1874614169 IPBLTSPGGIMWNE-PKNBQFBNSA-N 443.326 6.486 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)c1C 1874628914 CASHHDYMYLCAOT-NTCAYCPXSA-N 427.544 5.512 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 1874634911 AACAPQLGGVOQTF-XYOKQWHBSA-N 445.515 6.394 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OC(=O)c1c(F)cccc1Cl 1874697051 LQHTUFFIDZISGW-PKNBQFBNSA-N 445.273 6.256 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@@H](C)Oc3ccc(Cl)cc3)c2)c(C)c1 1874702050 GLHUWEJWQJQNED-XOVNIXPASA-N 434.919 6.226 30 10 IKEE COc1ccc(CC(=O)Oc2cc(/C=C/C(=O)c3cc(C)ccc3OC)ccc2OC)cc1 1874703919 NVWGOMITHAEFKZ-XYOKQWHBSA-N 446.499 5.065 30 10 IKEE COc1ccccc1CCC(=O)Oc1cccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c1 1874706137 QWOHZDKJAJVIQL-LDADJPATSA-N 442.555 6.427 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccco2)c(Cl)c1)c1ccc(-c2ccccc2)cc1 1875078102 DSJFEZAUBDJBQP-RIYZIHGNSA-N 428.871 6.715 30 10 IKEE O=C(Cc1ccccc1F)Oc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1Cl 1875084866 DRYCXUTVCICXCR-CSKARUKUSA-N 439.826 5.432 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3C)c(Cl)c2)c1 1875102429 HERWWIPDEBPTEP-JLHYYAGUSA-N 434.919 6.091 30 10 IKEE CCc1ccc(C(=O)Oc2c(OC)cc(/C=C/C(=O)c3cccc(OC)c3)cc2OC)cc1 1875102726 OCKYZTUZJKBWNT-SDNWHVSQSA-N 446.499 5.390 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC(=O)CCc1ccccc1C 1875125680 VBMLIJAWRSPWEN-OVCLIPMQSA-N 448.946 6.481 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)c(F)c3F)cc2)cc1 1875129684 ONOVZHQZLHRXBI-LHHJGKSTSA-N 426.390 5.618 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)c1ccc(C)c(C)c1 1875131627 HEAGAMGLILFBMO-FMIVXFBMSA-N 444.527 6.053 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3cccs3)c(Br)c2)c1 1875139561 OGYLCPHNMATHQS-VQHVLOKHSA-N 441.346 6.243 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)c1ccc(N(C)C)cc1 1875140153 SFVLVWZEXFEBHS-OQLLNIDSSA-N 443.543 5.883 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OC 1875140169 UBFSPYFZWOOLPP-SDNWHVSQSA-N 444.527 5.755 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccccc3)c(Cl)c2)cc1F 1875153300 ZSZKEKDALMFAJQ-JXMROGBWSA-N 440.854 5.368 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1C 1875175296 IRDWNPNTBXVRJR-NYYWCZLTSA-N 435.863 5.980 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)COCc3ccccc3)c(Cl)c2)cc1C 1875175598 XPTHNWBGCGGIRU-FMIVXFBMSA-N 434.919 5.975 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3)c(Cl)c2)cc1C 1875186992 OKUGXSYRNCOCNC-ONNFQVAWSA-N 438.882 6.220 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC(C)(C)C)c([N+](=O)[O-])c2)cc1Cl 1875188607 AIYBNQBGYXKQSE-VMPITWQZSA-N 431.872 5.495 30 10 IKEE O=C(CCOc1ccccc1)Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1 1875191535 QWGMKUHIYDLMBZ-MDWZMJQESA-N 441.310 6.264 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cc4cccc(OCC)c4o3)cc21 1890946371 NWWQYQFCKWMTAK-UHFFFAOYSA-N 434.492 5.021 30 10 IKEE CCN[C@@H](C#CC1(SC)CCC1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 1899967541 STIIZBOJMGRHME-JOCHJYFZSA-N 430.658 5.471 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](O)c1cccc(NC(=O)OC(C)(C)C)c1 1922056868 GLFGQTRABIHCAH-ZEQRLZLVSA-N 440.584 5.208 30 10 IKEE Cc1cc(C#N)ccc1[C@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 1951858811 YZYSICZHSSXDFX-VWLOTQADSA-N 440.499 5.311 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)cc1Br)NCC 2028184809 PUYHSJGCZMYSCJ-IRXDYDNUSA-N 431.802 5.093 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)[C@H]1CCSC1(C)C 2033645005 GUKWYROKLQYDIP-HZPDHXFCSA-N 425.392 5.614 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 2041560371 RENWTOCEOCMDNX-BXKMTCNYSA-N 447.551 5.497 30 10 IKEE CC1(C)OB(c2ccc3c(c2)-c2ccccc2[C@@]3(c2ccccc2)c2cccnc2)OC1(C)C 2049211982 WEFTXMZVRVHITN-SSEXGKCCSA-N 445.371 5.744 30 10 IKEE COc1cc(/C=C/C(C)=O)cc(Br)c1OCc1c(Cl)cccc1Cl 2060406216 MGQOAFCZZFRFBM-VOTSOKGWSA-N 430.125 5.946 30 10 IKEE C=CCN(CC=C)[C@@H](CN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071265347 RLLIVFCOELPLFC-SANMLTNESA-N 428.576 5.518 30 10 IKEE Cc1ccc([C@@H](n2nc(C(C)(C)C)c(C#N)c2I)C2(C)CC2)c(O)c1 2079032174 YLYCKSTWIFDDCX-QGZVFWFLSA-N 449.336 5.060 30 10 IKEE CCc1ccc([C@@H](C2CC2)n2nc(C3CCC3)c(C#N)c2I)cc1 2079078768 NKUPZJSQFLMRTO-IBGZPJMESA-N 431.321 5.189 30 10 IKEE COc1ccc([C@H](n2nc(C(F)F)c(C=NO)c2Br)C(C)(C)C)c(F)c1 2080088731 RNVCCDDWVDKHHR-AWEZNQCLSA-N 434.256 5.175 30 10 IKEE C#C[C@@H](NCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C1CCCC1 2083597074 DQZXGJXZPZHRBS-HHHXNRCGSA-N 425.572 6.126 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(Br)ccc(Cl)c1F 2098972028 DQWPRHHJQHMXGA-PBHICJAKSA-N 449.792 5.752 30 10 IKEE C=C(COCc1ccccc1)[C@H](NC)c1ccc(-c2ccc(Br)cc2)s1 2107921800 GXKQGOFAYVHEFR-QFIPXVFZSA-N 428.395 6.211 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@](C)(C#N)[C@@H]1C[C@H]2[C@@H](C1)C2(C)C 2149725785 ASFHYKZOHLEIHC-AQHYUZTGSA-N 433.390 6.155 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1ccc(C2CC2)nc1 2181762127 KZJGEHDUVANRGB-IBGZPJMESA-N 428.330 5.728 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(C#N)c(Br)c2F)C[C@@H]1C1CC1 2198268196 ZJULAYZJFQNQGQ-GDBMZVCRSA-N 438.341 5.050 30 10 IKEE Cc1sc([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)c(C)c1Br 2219351141 WSOFSORLVHPLDK-OAHLLOKOSA-N 427.408 6.262 30 10 IKEE C=CCCCCCCC[C@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)NCC 2220090163 WAMOZFASCKQNHZ-RUZDIDTESA-N 445.692 5.908 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(C)c(Br)c(C)c1 2235612539 POPSDDURXBXXLQ-QUCCMNQESA-N 439.438 5.966 30 10 IKEE C=C1CCC(C[C@@H](O)[C@H](Cc2ccc(Br)cc2)NC(=O)OC(C)(C)C)CC1 2237388203 MIEFVLOVFXDQMS-VQTJNVASSA-N 438.406 5.382 30 10 IKEE CC#CCC[C@@H](NCCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237421131 BEVKBAUDSVSQCL-WOJBJXKFSA-N 437.422 5.057 30 10 IKEE C#C[C@@H](C)[C@@H](OCCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2262615990 FZLNJGWEILZAKW-SKCUWOTOSA-N 429.560 5.520 30 10 IKEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)C2CCCCC2)c1 2267604921 QVTHJEGGWQUCQP-UHFFFAOYSA-N 433.401 5.269 30 10 IKEE O=C(C#Cc1ccccc1Br)c1c(Cl)cc(Br)cc1Cl 2283309391 BEIHXCMVIAXBPJ-UHFFFAOYSA-N 432.926 5.753 30 10 IKEE CN[C@@H](CC=CC#CC(C)(C)C)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2284129049 LGDNGCWPTKSQOR-IBGZPJMESA-N 435.406 6.052 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)c1scc(Br)c1Cl 2296228792 CEJRFYSJOVXHGK-CYBMUJFWSA-N 433.596 5.629 30 10 IKEE CCCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C#Cc1ccc(Br)cc1)NCCC 2296293101 GDFGJKIYXRESDI-WOJBJXKFSA-N 437.422 5.252 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)CCCCCCNC(=O)OC(C)(C)C 2296308148 DPCDAHSEIGUXCY-FQEVSTJZSA-N 437.422 5.254 30 10 IKEE CCc1ccc(C=C2Oc3cc(OS(=O)(=O)c4ccc(Cl)cc4)ccc3C2=O)cc1 2296871252 HFXKAEFQUZNBRX-UHFFFAOYSA-N 440.904 5.286 30 10 IKEE Cn1cc(C=C2Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc3C2=O)c2ccccc21 2296871762 CTEWFGVGVMEDSK-UHFFFAOYSA-N 429.859 5.667 30 10 IKEE O=[N+]([O-])c1cccc(C=CC=Nc2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)c1 2297235540 OYMUASZMFJSUGE-UHFFFAOYSA-N 438.270 7.126 30 10 IKEE CSC1=NC(=Nc2ccc(C)cc2)C2(CCC(C(C)(C)C)CC2)N1c1cccc(O)c1 2297727364 FBVWSLBUDIOEED-UHFFFAOYSA-N 435.637 6.945 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2314437626 RJDNCHVKDVYYHL-UHFFFAOYSA-N 425.267 6.137 30 10 IKEE CCN1C(=O)C(=Cc2c(Cl)cccc2Cl)SC1=Nc1ccc(O)cc1C(=O)O 2314926507 KWERLCNBZABFJP-UHFFFAOYSA-N 437.304 5.021 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)C2(NC(=O)OC(C)(C)C)CCCC2)cc1 2318691715 UFKHDIHVNOCPPV-LJQANCHMSA-N 445.560 5.166 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@]1(C)CCCCN1C(=O)OC(C)(C)C 2318947636 WPSLHJBMRAGHFO-CPJSRVTESA-N 443.588 5.808 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(C)n2N=Cc2ccc(Cl)cc2Cl)cc1 2321103750 XDXBFALUDOTREJ-UHFFFAOYSA-N 448.379 5.069 30 10 IKEE COc1cc(C=NNc2ccccc2Cl)ccc1OCc1ccc(Cl)cc1Cl 2321689133 MOUXLXYAHLEDMW-UHFFFAOYSA-N 435.738 6.680 30 10 IKEE O=C1C(=Cc2ccccc2F)Oc2c1ccc1c2CN(C23CC4CC(CC(C4)C2)C3)CO1 2322238523 PWOBDXAKFKJLHN-UHFFFAOYSA-N 431.507 5.563 30 10 IKEE O=C(C=Cc1ccccc1OCc1nc(O)c2ccccc2n1)c1ccc2ccccc2c1 2322312526 UKJJIWULNXNYEF-UHFFFAOYSA-N 432.479 5.964 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2cccc(C)c2)cc1C 2322416266 IWKQBNXMPUZFHJ-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1cccc(Br)c1)C3=O)CN(CCC(C)C)CO2 2322437019 HSAPGFJRTQLXIU-UHFFFAOYSA-N 442.353 5.572 30 10 IKEE CCCN(CCC)C(=O)COc1c(C=CC(=O)c2cccc(Cl)c2)cccc1OC 2322527971 IPWCWXVPOGZLNW-UHFFFAOYSA-N 429.944 5.272 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccccc2OCc2ccc(Cl)cc2Cl)cc1 2322549364 KMXANPYDKDWKDP-UHFFFAOYSA-N 427.327 6.867 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)c1OCC(=O)Nc1ccccc1 2322687782 QDHZUZPJGQDNLK-UHFFFAOYSA-N 443.543 5.906 30 10 IKEE CC(C)Oc1ccc(C=C(C(=O)N2CCn3c(C#N)ccc3[C@H]2C)c2ccccc2)cc1 2322748080 SKIBJBHQQIYPJO-HXUWFJFHSA-N 425.532 5.291 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)cc1OC 2323057854 STCBTXMFGIQWBT-UHFFFAOYSA-N 449.459 5.096 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCc3c(Cl)cccc3Cl)c2)cc1F 2323202684 ZUAFDPYTDVVXSZ-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE Cc1cc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)ccc1[N+](=O)[O-] 2323279392 ACIHZNHITMIOHX-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE Cc1cc(OC(=O)COc2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1ccccc1F)O2 2323532490 GIELBZRKKATOMO-UHFFFAOYSA-N 438.838 5.388 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)c4cccc(OCC(C)C)c4)ccc3C2=O)cc1 2323579786 YIWXGGRAIZGOQE-UHFFFAOYSA-N 444.483 5.565 30 10 IKEE C=C(C)COc1ccc(C=CC(=O)c2cccc(Br)c2)cc1Br 2323653200 QYEHJPCMKDGWIN-UHFFFAOYSA-N 436.143 6.063 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3)c(Br)c2)cc1 2323831571 FJJANXXTQQWICZ-UHFFFAOYSA-N 437.333 6.323 30 10 IKEE CCCOc1c(OCC)cc(C=NNc2nc(-c3ccc(F)cc3)cs2)cc1[N+](=O)[O-] 2323842583 DLVTUQZFUZUQEA-UHFFFAOYSA-N 444.488 5.491 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1[N+](=O)[O-] 2324450397 QRHPDSSVVZMMFC-UHFFFAOYSA-N 438.524 5.135 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(Cl)cc2)ccc2c1OC(=Cc1ccc(F)cc1)C2=O 2325513818 CFTDEIULWIPNMX-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE O=C(Oc1cccc(C=CC(=O)c2ccc(F)cc2F)c1)c1ccc2cc(Cl)ccc2n1 2325726434 TXLYZLQHYZFJBX-UHFFFAOYSA-N 449.840 6.282 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2ccccc2)cc1OC(=O)C1CCCC1 2325732422 RJWDJPABGMCJQO-UHFFFAOYSA-N 429.310 5.449 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(F)cc3F)c2)cc1F 2325748449 OIQCTDDGHWIDKK-UHFFFAOYSA-N 426.390 5.157 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1ccc(C)cc1 2325904802 HJBRESDVXWIXEJ-UHFFFAOYSA-N 448.636 6.322 30 10 IKEE Cc1cccc(CSc2nncn2N=Cc2cc(Cl)c(OCC(C)C)c(Cl)c2)c1 2326373206 AOOAHXZGNGGGRM-UHFFFAOYSA-N 449.407 6.103 30 10 IKEE CCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1c(C)n(CC)c2ccccc12 2326592243 CRGIZZNQUFLAGJ-UHFFFAOYSA-N 431.609 5.915 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCCc2ccccc2)n1N=Cc1ccco1 2328558808 QXBMQCZDFMWNOQ-UHFFFAOYSA-N 432.549 5.284 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3F)n2N=Cc2ccccn2)cc1C 2328791987 NSTKTUHSPNLULC-UHFFFAOYSA-N 447.539 5.183 30 10 IKEE C=CCSc1nnc(COc2cccc(C)c2C)n1N=Cc1cn(C)c2ccccc12 2328857493 ZLKGTBNZRJEVHG-UHFFFAOYSA-N 431.565 5.126 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccc(Cl)cc3)n2N=Cc2ccco2)c1 2329108488 WDCILNYUYJDUKO-UHFFFAOYSA-N 436.968 5.907 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2ccccc2Cl)n1N=Cc1ccccn1 2329745919 KXCUIADIRIQAEJ-UHFFFAOYSA-N 437.931 5.231 30 10 IKEE COc1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2C)cc1 2329805457 NBLASMRSBWQRIQ-UHFFFAOYSA-N 446.551 5.500 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cc(C)ccc3C)n2N=Cc2cccnc2)cc1 2329995358 JICWRDSBPVENKY-UHFFFAOYSA-N 427.577 5.364 30 10 IKEE Cn1cc(C=Nn2c(SCc3ccccc3)nnc2-c2cccs2)c2ccccc21 2330579310 RSRNJZOKVXVWEZ-UHFFFAOYSA-N 429.574 5.673 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)ccc1OC(=O)c1ccc2c(c1)OCO2 2330765246 JQQDMUXJMOGYPF-UHFFFAOYSA-N 444.483 5.492 30 10 IKEE Cc1cccc(CSc2nnc(CC(C)(C)C)n2N=Cc2ccc3c(c2)OCCO3)c1 2330822008 ZKCPLSLJJNLOIA-UHFFFAOYSA-N 436.581 5.121 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2[C@H]2CCCO2)cc1 2330990216 ZHURFWGASPTBEB-HXUWFJFHSA-N 442.972 5.356 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 2331018455 VBWWKEIPAZGNMM-UHFFFAOYSA-N 431.444 5.038 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccccc1OC 2331042471 CLNVEGCLSIMZAX-UHFFFAOYSA-N 447.443 5.117 30 10 IKEE CCSc1nnc(C2CCCC2)n1N=Cc1ccc(OCc2ccccc2)c(OC)c1 2331057105 ZSKUHQIAINZGPW-UHFFFAOYSA-N 436.581 5.518 30 10 IKEE FC(F)(F)c1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1cccs1 2331157250 NJFNWANKPUUWSX-UHFFFAOYSA-N 437.299 5.840 30 10 IKEE O=C(COc1cc(Cl)ccc1Cl)Oc1ccc(C=CC(=O)c2ccccc2)cc1 2331161984 DWMFPTKHYDNIEX-UHFFFAOYSA-N 427.283 5.874 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)Cc1ccc(F)cc1F 2331182749 ITFDIBOZLHTYTN-UHFFFAOYSA-N 448.465 5.746 30 10 IKEE COCCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1sccc1C 2331307186 PBIGIPAAGFXYSE-UHFFFAOYSA-N 441.409 5.318 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC(=O)Cc1ccccc1F 2331376652 CURYEUJEAXAZHE-UHFFFAOYSA-N 434.463 5.196 30 10 IKEE CC(C)Cc1nnc(SCc2ccccc2Cl)n1N=Cc1cccc2ccccc12 2331456851 NGRLLPWJPSMIDH-UHFFFAOYSA-N 434.996 6.458 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3)c(Br)c2)cc1C 2331706959 WGXZDBBAGWUYQI-UHFFFAOYSA-N 449.344 6.110 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)cc2)c(OC)c1 2331717084 NTLKXRGCZAJCBS-UHFFFAOYSA-N 446.543 5.722 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)ccc1OC(=O)CC(C)(C)C 2331751985 MKJJAKLHNFOMPI-UHFFFAOYSA-N 444.955 6.293 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1OC 2331780416 FTMWKBBYWJHHAE-UHFFFAOYSA-N 442.983 6.946 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3sccc3C)c(OC)c2)cc1C 2331854662 MSOOCYJDHHYWLS-UHFFFAOYSA-N 436.529 5.806 30 10 IKEE N#Cc1nnn(-c2ccc(Cc3ccccc3)cc2)c1NC(=O)C=Cc1cccc(Cl)c1 2332187573 SQALLZLNRVLUTA-UHFFFAOYSA-N 439.906 5.035 30 10 IKEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Cl)cc(Br)c1F 2337103452 VUMOSFMKRMPLKD-RDJZCZTQSA-N 447.776 5.199 30 10 IKEE C=CC[C@@H](Oc1ccnc2ccc(Br)cc12)[C@@H]1CCN1C(=O)OC(C)(C)C 2361019338 WKFBTMILVHNOQZ-PKOBYXMFSA-N 433.346 5.330 30 10 IKEE CCCN[C@@H](C#CC(C)(C)OC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2363534889 OWZSLPUBDZALOQ-SFHVURJKSA-N 439.394 5.265 30 10 IKEE CC[C@H](N[C@@H]1CCCCN(Cc2ccccc2)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363835814 HQPQSWPMULZEPV-FTJBHMTQSA-N 448.460 5.081 30 10 IKEE CCCCCCCCCCCC(=O)c1sc(Cl)cc1I 2363871691 WMNHRACWZIBEJO-UHFFFAOYSA-N 426.791 7.110 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OCC)cc3)[C@@H]2c2ccccc2)cc1 5921323 ALBVIEPCLZDFTN-XMMPIXPASA-N 443.499 5.267 30 10 IKEE N#Cc1c(-c2ccccc2)cc(-c2cccs2)nc1SC[S@@](=O)Cc1ccccc1 9993105 ZNWZQLDLWBXZEE-SSEXGKCCSA-N 446.622 6.347 30 10 IKEE C=CCn1c(COc2cc(C)cc(C)c2)nnc1SCC(=O)Nc1cc(C)ccc1C 14125879 QNXJQFFYGXWKPJ-UHFFFAOYSA-N 436.581 5.008 30 10 IKEE O=C(/C=C/c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 15979704 WXKQREZLZURXNV-NTUHNPAUSA-N 439.496 6.099 30 10 IKEE COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccco2)ccc1OC(C)C 21254556 OUGXTMRYONZUPX-DNOBIOAJSA-N 444.531 6.055 30 10 IKEE C=CCn1c(SCC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)nnc1-c1ccco1 29549229 ZPEBXAZSLNETGF-GFCCVEGCSA-N 437.352 5.000 30 10 IKEE Cc1ccc(C(=O)/N=C(/NCCc2c[nH]c3ccccc23)Nc2ccc(Cl)cc2C)cc1 32943115 ACPOPYUGXCSKDK-UHFFFAOYSA-N 444.966 5.879 30 10 IKEE O=C1NC(=N/c2ccc(Cl)cc2)/C(=C/c2ccc(-c3c(Cl)cccc3Cl)o2)S1 33568408 YUNWJIWXJIYGOJ-YVLHZVERSA-N 449.746 7.434 30 10 IKEE CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C\c3ccc(Br)cc3)c2C#N)C1 34864784 IWAOPYIYVVRETN-UJNBGNEJSA-N 443.410 6.185 30 10 IKEE COc1ccc(/C=C\c2nc(C#N)c(N3CCC(Cc4ccccc4)CC3)o2)cc1OC 35607153 YYASXHGWZBRWBC-LUAWRHEFSA-N 429.520 5.193 30 10 IKEE C=CCC[C@@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F 36346063 DCPDGJKMCHTHMM-JOCHJYFZSA-N 437.559 5.651 30 10 IKEE Cc1c(/N=N/c2ccc(Cl)cc2Cl)c(O)n([C@H](C)c2ccccc2)c(=O)c1C#N 39870595 GGKGDPGUEKNUPR-NKYKXMNPSA-N 427.291 6.066 30 10 IKEE C=CCOc1cccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCC)c1 40097553 VLJDUBBXLZZPHG-HSZRJFAPSA-N 431.488 5.376 30 10 IKEE Cc1c(OC(=O)c2cc3ccccc3o2)ccc2c1O/C(=C\c1ccc(C(C)C)cc1)C2=O 41352449 BCGCKNOVKRMAFE-OYKKKHCWSA-N 438.479 6.700 30 10 IKEE COc1ccc(CN2COc3c(cc4c(c3C)O/C(=C\c3sccc3C)C4=O)C2)cc1 41588789 JSAHMJNYYRGOFZ-NHDPSOOVSA-N 433.529 5.342 30 10 IKEE CC(C)c1ccc(N/C(=N/C(=O)c2ccc(C(C)(C)C)cc2)NCc2ccncc2)cc1 45939487 CNZSFMNVXBDDJZ-UHFFFAOYSA-N 428.580 5.901 30 10 IKEE Cc1ccc(Br)c(-c2csc3ncn(Cc4cccc(C#N)c4)c(=O)c23)c1 96535884 IBDAFJSABGAIKR-UHFFFAOYSA-N 436.334 5.116 30 10 IKEE Cc1nc(/C=C\Nc2cccc(Cl)c2)c(C#N)c(-c2c(Cl)cccc2Cl)c1C#N 100101078 NONPPBPANBWXHD-HJWRWDBZSA-N 439.733 6.843 30 10 IKEE O=C(/C=C1\Nc2ccc([N+](=O)[O-])cc2N\C1=C\C(=O)c1ccc(F)cc1)c1ccc(F)cc1 101631591 RHYBGKOYQMEOQJ-VZHHCOETSA-N 447.397 5.244 30 10 IKEE CC/N=C1/S/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)C(=O)N1CC 101696170 FXLCHAHQBTVRRJ-LRXZINBSSA-N 444.984 5.630 30 10 IKEE CCCCCCCCOc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1 102445150 NZBVUBDPWGGZOS-RELWKKBWSA-N 425.619 6.832 30 10 IKEE CCc1ccc(/C=C2/Oc3cc(OC(=O)c4ccc(OC)c(OC)c4)ccc3C2=O)cc1 103018904 AWNRBKFZOYCAGD-ZMOGYAJESA-N 430.456 5.102 30 10 IKEE CCCCCCCCCCCCCCC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 105259115 NDTYWVYNWZAFSP-UHFFFAOYSA-N 434.624 8.525 30 10 IKEE CCN1C(=S)N[C@@H](c2ccccc2OCc2ccc(Cl)cc2Cl)C(C(C)=O)=C1C 169933451 ZDCMBOYLMXVBCM-NRFANRHFSA-N 449.403 5.687 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(Oc3cccc(C)c3)cc2)NC(=S)N1C 169934788 LVQMPAJEEUIPRD-XMMPIXPASA-N 428.557 5.805 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3ccc(C)c(C)c3)cs2)cc(Cl)c1OC(C)C 169940759 RUSBEBRVDZNESV-ROTLSHHCSA-N 444.000 6.712 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(OC(C)C)cc2)c1 169979201 SVMFHFWUHQUBAC-DEOSSOPVSA-N 449.547 5.393 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2cccs2)c1 169984640 ZIYOTAOGCWWGGH-NRFANRHFSA-N 437.948 6.110 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccccn2)c1 169998957 WYUCDQPECSIKBS-OAQYLSRUSA-N 441.512 5.091 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(O)c(Cl)c1)c1cccc(Cl)c1 170040827 LLIVOIQMTZCPDL-HXUWFJFHSA-N 440.282 5.482 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(Cl)cc2)cc1C 170056682 VWZORTIUXLKGKW-OAQYLSRUSA-N 437.948 5.797 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccc2F)c1 170072327 JZTYITUHJYBYJC-QHCPKHFHSA-N 449.453 5.142 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(Cl)cc3)[C@H]2c2ccco2)cc1C 170096693 BWRXBHLXBPZQSN-QFIPXVFZSA-N 435.907 5.371 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1ccc(O)cc1)c1cccc2ccccc12 170132385 XWHHNFWCCVPEHK-XMMPIXPASA-N 437.451 5.034 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(C)c2)cc1Cl 170143880 VVAIUHOOBJNPRH-NRFANRHFSA-N 437.879 5.029 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccccn2)c1 170172376 HLWDHQAFJXXBFC-RUZDIDTESA-N 438.527 5.360 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1cccnc1)c1cc2cc(Cl)ccc2o1 170188299 BXTVARNASGYGKK-OAQYLSRUSA-N 430.847 5.264 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccncc2)cc1C(C)C 170199993 JDRAVTPKNKPXLP-HSZRJFAPSA-N 446.478 5.136 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCC)cc1 170216087 BUMTVVKFGUZEIY-OAQYLSRUSA-N 427.928 5.507 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccccc2)cc1C 170223252 HIXZVJFRFWSZLM-HSZRJFAPSA-N 449.453 5.373 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1ccccc1)c1cc2cc(Cl)ccc2o1 170224729 AQXYGWAUTNIMEX-QFIPXVFZSA-N 445.858 5.575 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(C(C)C)cc1 170245255 WWTXELXIOIKHGF-VWLOTQADSA-N 427.544 6.342 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2c[nH]c3ccccc23)c1 170256343 RNRZEWGFKIFLED-XMMPIXPASA-N 444.531 5.476 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccc(C)o2)cc1C 170301173 VJGGCZWOPPDYMQ-HSZRJFAPSA-N 447.487 5.174 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)c1 170365422 XQCSKJVELRRLTB-QFIPXVFZSA-N 433.891 5.522 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@@H]1c1ccc(Cl)cc1)c1cccs1 170375102 GYFRYTBWXIRZTH-GOSISDBHSA-N 448.302 5.977 30 10 IKEE CN(C)c1ccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(C(C)(C)C)cc2)cc1 170443608 SVYWMWFVJQDUTJ-JOCHJYFZSA-N 434.580 5.565 30 10 IKEE COc1ccc(/C=C2/C[C@@H]3[C@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cc1 253573938 RZZSYQOCHYTRMK-RVXULEHESA-N 448.603 6.152 30 10 IKEE Cc1cc(O)c(C=Nc2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)c(C)c1Cl 254287508 IORFJFAELVJYKO-UHFFFAOYSA-N 445.733 7.528 30 10 IKEE Cc1cccc(/C=C2/SC(=Nc3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)c1 254404394 NBDMVMSMZLRAIY-DFLSCLMCSA-N 437.568 6.323 30 10 IKEE CCOc1cc(C=NNc2nc3ccccc3s2)ccc1OC(=O)c1ccc(F)cc1 254715057 PIOLVQGEXCLVMJ-UHFFFAOYSA-N 435.480 5.499 30 10 IKEE C=C(COCCC)[C@H](NCCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 407156537 UWMVUJVZUWPVKH-IBGZPJMESA-N 441.410 5.820 30 10 IKEE CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C)C(C(C)=O)=C(c4ccccc4)C[C@H]32)C1 504693811 WAVPHEOFLPWMCI-QZFXGGELSA-N 432.604 6.534 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2cccc3ccccc23)[C@H]1c1ccc(Cl)cc1 526610058 IWIYIALNVNNQOC-RUZDIDTESA-N 436.898 6.422 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1/N=C\c1cccc(Br)c1 526803459 UUSMALRACIYZRT-UUYOSTAYSA-N 433.350 5.307 30 10 IKEE Cc1nnc(SCc2ccccc2Cl)n1/N=C\c1cc(Cl)c(O)c(Cl)c1O 526816558 JHJATXSFFKRSKN-YXSASFKJSA-N 443.743 5.132 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(CCCC#N)Cc2ccc(OC)cc2)cc1 586180812 URRYVBUPKKBHQQ-UHFFFAOYSA-N 428.598 5.313 30 10 IKEE CC[C@H]1CCCCN1C(=O)Nc1cccc(C(=O)Nc2scc(C(C)(C)C)c2C#N)c1 586680967 DCQBXUMFGRVRFQ-SFHVURJKSA-N 438.597 5.966 30 10 IKEE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@H](C#N)c1ccc(Cl)cc1Br 698472164 QTYYDCQPEWJDEP-XJKSGUPXSA-N 429.742 5.083 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2ccc(Br)c(C)c2)cc1 698960098 VNFQSFQNXDNIBN-LJQANCHMSA-N 431.330 5.773 30 10 IKEE Clc1cc(N=Cc2ccc3c(c2)OCO3)c(Cl)cc1N=Cc1ccc2c(c1)OCO2 725274010 IONVECCSEPRPFX-UHFFFAOYSA-N 441.270 5.952 30 10 IKEE Cc1ccc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2cccc(O)c2Cl)cc1C 762437410 JKMYIWBZJDFGSF-UHFFFAOYSA-O 436.944 5.145 30 10 IKEE CCN(CC)C(=O)CSc1nc2ccc(N=Cc3c(O)ccc4ccccc34)cc2s1 1084036564 ADNRQGMIGPWAMD-UHFFFAOYSA-N 449.601 5.866 30 10 IKEE Cc1cccc(N=C2S/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C(=O)N2C)n1 1772732192 VOCWKTLXXJSGIN-RQUXIJKASA-N 444.343 6.191 30 10 IKEE Cc1csc(N=C2S/C(=C/c3cccc4ccccc34)C(=O)N2c2ccccc2)n1 1772740567 ZHUGPOSFXKDVJT-MALGGUPZSA-N 427.554 6.413 30 10 IKEE OCc1ncc(-c2c(F)c(F)c(F)c(F)c2F)cc1-c1c(F)c(F)c(F)c(F)c1F 1848358428 FOIUXCATRKFDJF-UHFFFAOYSA-N 441.224 5.299 30 10 IKEE CCCCCCCCCCN1C(=O)/C(=C\c2c[nH]c3ccc(OC)cc23)SC1=S 1858586337 AEKLAJLGOCOFIM-KGENOOAVSA-N 430.639 6.518 30 10 IKEE COc1cccc(/C=C/C(=O)Oc2cccc3c(NC(=O)c4cccc(C#N)c4)cccc23)c1 1858929844 FRGRCFBRVBZHMV-CCEZHUSRSA-N 448.478 5.591 30 10 IKEE Cc1cc(C)c(NC(=O)[C@H](C)Oc2cccc(NC(=O)c3cccc(C#N)c3)c2)c(C)c1 1860132315 COGYLQZQMKBVQS-IBGZPJMESA-N 427.504 5.142 30 10 IKEE CC(C)(C)c1ccc(/C=C/C(=O)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 1860722792 SBNSWEOQRZYFTM-RVDMUPIBSA-N 433.935 6.651 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](C)NC(=O)CCc1ccc(Br)cc1 1861103624 QBWWOMBBOAYOFK-GOSISDBHSA-N 439.438 5.143 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2cc(C)ccc2OC)n(-c2cccc3ccccc23)n1 1862350386 FMYDNRBFYUXKIT-UHFFFAOYSA-N 437.543 5.824 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(C(C)(C)C)cc1 1862420953 SNWSJEXJGFUBFB-QFIPXVFZSA-N 441.518 5.887 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1cccc(Cl)c1)c1ccccc1Cl 1862432837 OAEDHODIOJMEDY-LJQANCHMSA-N 444.339 5.833 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCc2ccc(F)cc2)cc1 1862441483 JBVYLXITHWLYRS-QHCPKHFHSA-N 449.909 5.609 30 10 IKEE CN(C)c1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862447382 OYDAFXVESCVZJV-HSZRJFAPSA-N 446.934 5.185 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(C(C)(C)C)cc1 1862461543 HSBBMAOASSFMIP-HXUWFJFHSA-N 431.454 5.390 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc(Cl)c1 1862477063 RYCYYBBSISBELR-JOCHJYFZSA-N 441.955 5.434 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(Cl)cc1Cl 1862498924 ULOLPCGUFWJKMQ-FQEVSTJZSA-N 432.347 5.989 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(F)cc2)ccc1F 1862502082 QUOZXUCNQXCDRP-HSZRJFAPSA-N 433.454 5.094 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccccc2C)cc1 1862506986 CQWGYLFKUUMPFX-VWLOTQADSA-N 443.518 5.572 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2cccc(C)c2)cc1 1862507993 WNKWHRSZVNEHAS-VWLOTQADSA-N 443.518 5.572 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2cccc(OC)c2)cc1 1862517064 DNDJCLQJOONGAI-HSZRJFAPSA-N 437.536 5.108 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(O)c(O)c1 1862548100 KCXLLFGKEJEYPB-DEOSSOPVSA-N 449.547 5.135 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(F)cc1 1862590622 MDIOWZFFNWWQHS-DENIHFKCSA-N 425.500 5.469 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2cccc(F)c2)cc1 1862591370 XIQDCNGYHPOGFK-FYSMJZIKSA-N 445.490 5.433 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccc1Cl 1862653292 PWHXFEFAQZHERH-QHCPKHFHSA-N 449.934 5.498 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 1862675417 KKIDVJFXXRXBBM-OAQYLSRUSA-N 439.845 5.397 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccccc2F)c1 1862676467 JPZGZRPJJNQUQL-QHCPKHFHSA-N 449.453 5.142 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccccc2Cl)cc1 1862689484 RWFHIELDJNMYFW-JOCHJYFZSA-N 439.939 5.650 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862720988 JXHDVWXHTCQQJY-FQEVSTJZSA-N 426.299 5.745 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc2cc[nH]c2c1 1862727002 UOIUJDMJASUFEU-RUZDIDTESA-N 436.511 5.822 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C)cc2C)=C(c2ccccc2OC)C1=O 1863428023 PCBPPUCWHKMBKV-UHFFFAOYSA-N 434.580 5.865 30 10 IKEE C=CCc1ccccc1OC1CN(C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)C1 1869906888 QLLMPWSCZSSKHZ-OBGWFSINSA-N 425.528 5.297 30 10 IKEE CCCCCCCOc1cn(CC)c(CSc2ccc(Br)cc2)cc1=O 1870251689 QKHRIAGUPVMVFH-UHFFFAOYSA-N 438.431 6.272 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2)c(=O)cc1CN(C)Cc1ccccc1 1870468409 DCFYXLDVADLYBV-UHFFFAOYSA-N 446.635 6.420 30 10 IKEE CCCCCCCCn1cc(OCC(=O)N[C@@H](C)CC)c(=O)cc1CN(CCC)CCC 1870527805 JIDAAGVZGNINMO-QFIPXVFZSA-N 449.680 5.124 30 10 IKEE C=CCOc1cn(Cc2ccncc2)c(CNc2ccc(OCCCCCC)cc2)cc1=O 1870809881 ZYJUPXGRZJCGLO-UHFFFAOYSA-N 447.579 5.428 30 10 IKEE CCCCCCCOc1cn(Cc2ccncc2)c(CNc2ccc(C)c(F)c2)cc1=O 1870836097 ONNBPBUKEBQRII-UHFFFAOYSA-N 437.559 5.700 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(C)cc2)c(CNc2ccc(OC)cc2)cc1=O 1870839268 DYIOWKNCNLJXTI-UHFFFAOYSA-N 448.607 6.175 30 10 IKEE C#CCOc1cn(CCCCCCCC)c(CNc2cc(Cl)cc(Cl)c2)cc1=O 1871007010 GUYDEQGUZWYXPO-UHFFFAOYSA-N 435.395 6.140 30 10 IKEE CCOc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(C2CCCCCCC2)C4)cc1 1871348361 AYPFOJXNPGOKBY-XYGWBWBKSA-N 447.575 6.275 30 10 IKEE CCCCC[C@@H](CC)N1COc2c(cc3c(c2C)O/C(=C\c2ccc(N(C)C)cc2)C3=O)C1 1871353341 MJPFEVPJPVFAMF-OOEUXUOGSA-N 448.607 6.188 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN([C@H]2CCCC[C@@H]2C)C3)C1=O 1871356187 YTTICJALBRWRHW-WTBALWEVSA-N 433.548 5.741 30 10 IKEE Cc1ccc(CCC(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1 1871366468 GSYDIIFXPDMBTF-QQXSKIMKSA-N 426.512 6.273 30 10 IKEE Cc1c(OC(=O)CCc2ccccc2)ccc2c1O/C(=C\c1ccc(N(C)C)cc1)C2=O 1871385564 AOMIAOHXYJMFAQ-ULJHMMPZSA-N 427.500 5.215 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)c1 1871389341 QRBQJUZNTNHDLW-QRVIBDJDSA-N 428.440 5.146 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2Cl)Oc2c1ccc(O)c2CN1CCCC[C@@H]1CCO 1871396293 ZIUNSPDLCVRGKR-NBZOHKLQSA-N 448.346 5.052 30 10 IKEE CCCCCCOc1ccc2c(c1C)O/C(=C\c1cc(OC)c(OC)cc1OC)C2=O 1871399440 LEPRNJCZBUSKEH-UCQKPKSFSA-N 426.509 5.596 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCCCCOc3ccccc3)cc(C)c2C1=O 1871403429 LGIFEZHGSIFBJF-ITYLOYPMSA-N 444.527 6.248 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)CCCC 1872453902 YXWRUIIHFXMZHM-FQEVSTJZSA-N 429.026 5.010 30 10 IKEE C=CCN([C@H](C(=O)Nc1cccc(C)c1C)C(C)C)S(=O)(=O)c1c(C)cc(C)cc1C 1872505891 ZVBKMTQRODGJFT-QHCPKHFHSA-N 442.625 5.069 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccc(Cl)cc3)n2)cc1F 1872774858 DMDSYTRKEDMRJE-WBMJQRKESA-N 430.888 5.255 30 10 IKEE COc1cc(-c2csc([C@@H](C#N)C(=O)c3ccc(N(C)C)cc3)n2)c(OC)cc1Cl 1872783332 WXEHICIVKHUREP-INIZCTEOSA-N 441.940 5.037 30 10 IKEE CCCc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1 1872785415 MMWDEBWCPJKBOQ-QHCPKHFHSA-N 446.616 6.624 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCC)=C(c2c(Cl)cccc2Cl)C1=O 1873092811 CFMMGJYSDFYQNT-UHFFFAOYSA-N 425.400 5.824 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC2CCCCCC2)=C(c2cccs2)C1=O 1873156275 XKFSNOKHAJGLCZ-UHFFFAOYSA-N 430.658 6.281 30 10 IKEE CC(C)(C)n1ncc(N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)c(Cl)c1=O 1873526437 FLXCPWBJAJKATQ-BRJLIKDPSA-N 445.350 5.330 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1cccc(OC)c1 1874214314 GJKBJLNGEKLKHD-LFVJCYFKSA-N 444.988 5.336 30 10 IKEE CSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccc(C(F)(F)F)cc1 1874265909 VXXUFVHTUCIPDU-AUEPDCJTSA-N 426.851 5.133 30 10 IKEE CCCOc1ccccc1/C=N/n1c(COc2ccccc2OC)nnc1SCCC 1874290481 UOWCGLJNJDGTGD-LFVJCYFKSA-N 440.569 5.039 30 10 IKEE Cc1ccc(/C=N/n2c(CCc3ccccc3C)nnc2SCc2ccccc2)cc1 1874362765 VSPRBWAUSKXXIU-OVVQPSECSA-N 426.589 5.855 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1cccnc1 1874363492 IGBVUFHGSPRVQG-JVWAILMASA-N 447.995 5.595 30 10 IKEE C=CCSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(N(CC)CC)cc1 1874365704 QGSQAINDHUMOMJ-LFVJCYFKSA-N 425.989 5.605 30 10 IKEE Clc1cccc(CSc2nnc(-c3ccccc3Cl)n2/N=C/c2cccs2)c1 1874368415 ZHBPBQXAJBRPME-FSJBWODESA-N 445.400 6.488 30 10 IKEE Cc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2cccc(Cl)c2)cc1 1874419140 AHVWHYXZEAXTTO-WGOQTCKBSA-N 432.980 6.005 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2[C@@H]2CCCO2)c(F)c1 1874446409 YMFYRDAQQYGKTL-DAFNMPDCSA-N 434.899 5.236 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1cccc(OCC)c1 1874511088 JXRIGBSXXGMRDL-ZMOGYAJESA-N 449.407 6.111 30 10 IKEE CCCSc1nnc(CC)n1/N=C/c1ccc(OCc2ccccc2C)c(OCC)c1 1874525780 FZLVZOFFGNQDQE-PCLIKHOPSA-N 438.597 5.511 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(Br)cc2)c1OCc1ccc(C)cc1 1874574401 KKRAOQVFGJNFGX-NTCAYCPXSA-N 437.333 6.241 30 10 IKEE Cc1cc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)NC2CCCCC2)ccc1F 1874581510 RBHBRPPSJFDDPB-DHZHZOJOSA-N 429.919 5.511 30 10 IKEE CCCN(CCC)C(=O)COc1c(/C=C/C(=O)c2cccc3ccccc23)cccc1OC 1874583418 MBHGWVUYOZQREP-WUKNDPDISA-N 445.559 5.772 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(N)=O)cc1 1874584276 GMMVTPMTLJGVOT-UKTHLTGXSA-N 429.944 5.449 30 10 IKEE CCCOC(=O)COc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OC 1874592701 XKIGVQDLGYDUDH-OQLLNIDSSA-N 430.500 5.590 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OCC(=O)Nc1ccc(C)c(C)c1 1874597925 LGMAREUCILDCOV-LFYBBSHMSA-N 433.479 5.365 30 10 IKEE COc1c(Br)cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1Br 1874601974 MZHZZQOFFHJJGE-AATRIKPKSA-N 441.075 5.025 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)cc2)c1 1874619237 QQPPAMFBOSMAEY-YRNVUSSQSA-N 445.515 5.234 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2)o1 1874622253 UMEGEGFKVHXKKJ-LZYBPNLTSA-N 432.516 6.229 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c(OC)c1OC 1874639930 VJDJFMJEAOYINI-RIYZIHGNSA-N 438.907 5.841 30 10 IKEE O=C(CSc1ccccc1)Oc1cccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c1 1874693462 GUPDQMCMSGXEHT-DTQAZKPQSA-N 428.553 6.159 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(N(C)C)cc3)c2)cc1 1874701457 UAQUQRCFFXSYJH-OMCISZLKSA-N 445.515 5.275 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OC(=O)COc1ccc(C)c(C)c1 1874710325 WYBNXVUCNRZNTG-LFYBBSHMSA-N 434.463 5.332 30 10 IKEE CCCCCCC(=O)Oc1cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)ccc1OC 1874714744 LQRNNNIDGDEXLZ-ZRDIBKRKSA-N 444.955 6.438 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3F)c([N+](=O)[O-])c2)cc1C 1875108364 LQPINLJFLZPOLZ-JXMROGBWSA-N 449.434 5.095 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccs2)c(Br)c1)c1ccc(Cl)cc1 1875126101 PVKOZPFXFGSKKE-YCRREMRBSA-N 447.737 6.279 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccncc3)c(Br)c2)c(C)c1 1875131874 SGPWRSVPRJLPMS-QPJJXVBHSA-N 436.305 5.576 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OC 1875136608 RNYIQOVJEXDMIS-RVDMUPIBSA-N 430.500 5.447 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1ccc(F)c(F)c1 1875163802 DJMSJFVLPGPRAW-YCRREMRBSA-N 444.380 5.757 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC3CCCCC3)c(OC)c2)cc1Cl 1875186090 DCHMSEMGDNAWRN-DHZHZOJOSA-N 442.939 6.129 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3c(OC)cccc3OC)cc2)cc1C 1875187292 XJXPPDQIZJPNLK-SDNWHVSQSA-N 446.499 5.445 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1)c1ccc(F)cc1F 1875191527 QKXICOYSQAZWEE-XCVCLJGOSA-N 433.237 6.387 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2 1922086537 RAUMPEBFRJBWIY-VWLOTQADSA-N 436.596 5.798 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C1(CNC(=O)OC(C)(C)C)CCC(C)CC1 1922094947 PQFLSOIRSNUKDN-BMMPOPSUSA-N 444.660 5.849 30 10 IKEE C#CCN(CC(C)(C)C)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1984724105 JBFFSRXMIQFFLT-VWLOTQADSA-N 446.591 5.058 30 10 IKEE C=CCCCCCCCC[C@@H](N)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2026314746 VQAMLYPSYLNXNU-DNQXCXABSA-N 431.665 5.646 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](N)c2c(Cl)ccc(Br)c2F)C1 2063051861 KKFWLHYPJVHFFY-HNNXBMFYSA-N 433.749 5.103 30 10 IKEE C=CCN1CC[C@H](NC)[C@@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071343362 CIRDJHLLNFQWTL-LSYYVWMOSA-N 428.576 5.365 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCC)c2c(C)sc(C)c2Br)C1 2077085359 JKGDTMOJOHMZQO-MRXNPFEDSA-N 429.424 5.392 30 10 IKEE Fc1cc(-n2nc(C3CCC3)c(Br)c2C(F)(F)F)ccc1C(F)(F)F 2079002105 BYFYBXDTQAWUDS-UHFFFAOYSA-N 431.149 6.079 30 10 IKEE Cc1cc(C)c([C@@H](n2nc(C(F)F)c(C=NO)c2Br)C(C)(C)C)c(C)c1 2079874590 HJQBSTAPEDMXJG-MRXNPFEDSA-N 428.321 5.952 30 10 IKEE CCc1nn([C@H](c2ccc(OC(C)C)cc2)C2CCC2)c(I)c1C#N 2080104622 SKSOUXMTUMZOAG-IBGZPJMESA-N 449.336 5.098 30 10 IKEE COc1cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)ccc1F 2166599300 HQYFTBIDZTUNLK-KRWDZBQOSA-N 435.293 5.603 30 10 IKEE N#Cc1ccc(NC[C@@]23CCC[C@@H](CN2Cc2ccccc2)C3)c(F)c1Br 2200728747 NHQWBJIXBVKLAZ-VGSWGCGISA-N 428.349 5.317 30 10 IKEE CCOc1ncc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)s1 2231288583 CKJUIUBTGYTMOL-CQSZACIVSA-N 438.347 5.311 30 10 IKEE C=CC[C@](C)(C(F)F)n1c(S)nc2cc(Br)c(Br)cc21 2233959681 OZWGBWLUJJJMIK-CYBMUJFWSA-N 426.124 5.406 30 10 IKEE CC=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C#Cc1ccccc1Br)NCCC 2235747039 MXHSOYMTEGJPAU-VQTJNVASSA-N 435.406 5.028 30 10 IKEE CC#CCC[C@@H](NCCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237421129 BEVKBAUDSVSQCL-UXHICEINSA-N 437.422 5.057 30 10 IKEE C=CCOc1ccccc1CNc1ccc(Br)cc1I 2240327621 GOMGVVIWKNDSJG-UHFFFAOYSA-N 444.110 5.231 30 10 IKEE C#C[C@H](NC(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCC1 2243905446 ORKJKTRMJJLRHA-SANMLTNESA-N 444.575 5.004 30 10 IKEE C#C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C 2243924662 JWWXWHBQDBMGGF-LOSJGSFVSA-N 446.591 5.104 30 10 IKEE C#C[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2243925461 WHVCFNRTZIYFLH-FNZWTVRRSA-N 446.591 5.104 30 10 IKEE Cc1sc(C(=O)N(Cc2ccccc2)[C@@H](C)C(C)C)cc1B1OC(C)(C)C(C)(C)O1 2247823492 NNIXLQLESQZQAS-KRWDZBQOSA-N 427.419 5.043 30 10 IKEE CC(C)(C)CN(Cc1ccccc1)C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2247929946 AXVBEKKDFLCARG-UHFFFAOYSA-N 447.837 5.389 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)CC1 2259675252 JJNSVTAHNMPQOQ-XMMPIXPASA-N 447.551 5.641 30 10 IKEE Cc1cccc(C(=O)N(Cc2ccccc2)[C@@H](C)C(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267601977 FGSKECDTSYMMEU-FQEVSTJZSA-N 435.417 5.371 30 10 IKEE CC1(C)OB(c2ccc3cc(C(=O)N(Cc4ccccc4)CC4CC4)ccc3c2)OC1(C)C 2282568360 BBBCVQIHXYHXCN-UHFFFAOYSA-N 441.380 5.191 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(F)c(C(=O)C#Cc2cccc(Br)c2)c1F 2296233224 VMWWXSYKRQUKHD-UHFFFAOYSA-N 436.252 5.309 30 10 IKEE Cc1ccc(-c2ccc(C=CC(=O)c3ccc4noc(-c5ccccc5)c4c3)o2)cc1Cl 2296878210 AYEHFMQTYNBBSJ-UHFFFAOYSA-N 439.898 7.613 30 10 IKEE O=C1NC(=Nc2cccc(Cl)c2Cl)SC1=Cc1ccc(O)c(Br)c1 2313541571 OXCBEKAUYUJXAV-UHFFFAOYSA-N 444.137 5.353 30 10 IKEE CCCCCCCCCOc1ccc(NC(=O)C=Cc2ccc(Cl)cc2Cl)cc1 2318759456 COGLQRADYZGRIT-UHFFFAOYSA-N 434.407 7.775 30 10 IKEE CCCSc1nnc(CC)n1N=Cc1ccc(OCc2ccccc2C)c(OCC)c1 2321020519 FZLVZOFFGNQDQE-UHFFFAOYSA-N 438.597 5.511 30 10 IKEE COC(=O)c1ccc(COc2c(C=CC(=O)c3ccccc3Cl)cccc2OC)o1 2322437098 KFRBPFDBLOBCJB-UHFFFAOYSA-N 426.852 5.203 30 10 IKEE CCc1ccc([C@@H](C)N2COc3c(cc4c(c3C)OC(=Cc3sccc3C)C4=O)C2)cc1 2322456899 MKMLQUXBJRWZSI-GOSISDBHSA-N 445.584 6.457 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1cccc2ccccc12)c1ccc(Cl)cc1 2322532306 ZMINLGQIWTWGLR-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2)c(C)c1C 2322823268 FGAIBCVTVACYTP-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OC(=O)CCc4ccc(Cl)cc4)c3C)C2=O)c1 2323106146 XJNYYLQOFHPHGR-UHFFFAOYSA-N 448.902 5.811 30 10 IKEE CCCOc1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2cccnc2)C3=O)cc1 2323460619 MMJBEFSADAEJKI-UHFFFAOYSA-N 441.483 5.414 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(Cl)c1OCc1cccc(F)c1 2323602229 PUJNENOQEAELBD-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OCc1nc(O)c2ccccc2n1 2323743547 GFEPFAFFFIYQIF-UHFFFAOYSA-N 448.425 5.097 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2C)C3=O)c(OCC)c1 2323783231 CUFLAQJQZYKQJR-UHFFFAOYSA-N 444.483 5.628 30 10 IKEE COC(=O)c1ccc(C=C2Oc3cc(OCCCc4ccccc4)cc(C)c3C2=O)cc1 2324281034 RESUEYCIDLHVQH-UHFFFAOYSA-N 428.484 5.409 30 10 IKEE CCc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccc(F)cc4)ccc3C2=O)cc1 2324306800 WUUALQXTZHVKOS-INIZCTEOSA-N 431.463 5.410 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(O[C@H](C)C(=O)Nc3cccc(C)c3C)c2C)C1=O 2324506167 XBYGUBPPOXODDN-GOSISDBHSA-N 447.556 6.004 30 10 IKEE CCCNC(=O)COc1ccc(C=CC(=O)c2ccc(OC)c3ccccc23)cc1Cl 2324677045 IAYYTJHPJUTUMS-UHFFFAOYSA-N 437.923 5.303 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1ccc2c(c1)OC(=Cc1sccc1C)C2=O 2325092649 GBKHXENRDMMBGW-IBGZPJMESA-N 428.550 5.954 30 10 IKEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1cn(C)c2ccccc12 2325642643 AZHSUETWHNXELM-UHFFFAOYSA-N 430.364 5.560 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4cccc(Cl)c4)ccc3C2=O)cc1 2325717118 YXQYGCFHUPZAGZ-UHFFFAOYSA-N 433.891 5.536 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4Cl)cc(C)c3C2=O)cc1 2325717998 HRQZRSUWWNFAAL-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)cc1 2325739555 VQGOFTODPNFBLU-UHFFFAOYSA-N 445.471 5.807 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OC(=O)c2ccc(F)c(F)c2F)c1 2325743520 VTEIXMRXRZZZEI-UHFFFAOYSA-N 426.390 5.536 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC)c(OC(=O)[C@H](C)c3ccccc3)c2)c1 2325744038 IXRVQELYPAARGW-GOSISDBHSA-N 446.499 5.318 30 10 IKEE O=C(CC12CC3CC(CC(C3)C1)C2)Oc1cccc(C=CC(=O)c2ccc3c(c2)OCO3)c1 2325747726 XVROGRJJUOMZDO-UHFFFAOYSA-N 444.527 5.823 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1ccc(OC(C)C)cc1 2326417825 OVVGQCVJBWYJCA-UHFFFAOYSA-N 436.625 6.199 30 10 IKEE Cc1ccc(OCCCc2nnc(SCc3ccccc3)n2N=Cc2ccccc2)cc1 2327191821 OZYZKTRWIQAEPZ-UHFFFAOYSA-N 442.588 5.773 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N(C(=O)C=Cc2ccc(F)cc2)C2CCNCC2)c1 2328164755 UEKCCTKSCDVFLC-UHFFFAOYSA-N 449.570 5.098 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3)n2N=Cc2cccnc2)cc1C 2328945970 YPMKONXIVTXPQX-UHFFFAOYSA-N 427.577 5.250 30 10 IKEE Cc1ccccc1C=Nn1c(COCc2ccccc2)nnc1SCc1ccccc1F 2329342750 BDIHMMCQCJULOS-UHFFFAOYSA-N 446.551 5.617 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3C)n2N=Cc2ccccn2)cc1 2329465431 CKSOPZKIGAEYQO-UHFFFAOYSA-N 427.577 5.250 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(CC3CCCCC3)n2N=Cc2ccccc2)c1 2330242666 AOIQHLBZBUHRQV-UHFFFAOYSA-N 447.608 5.322 30 10 IKEE Fc1cccc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccccc2F)c1 2330270017 KKGZSWQSZPIQKQ-UHFFFAOYSA-N 426.536 5.854 30 10 IKEE CCCOc1ccc(C=NNC(=S)NC(c2ccccc2)c2ccccc2)cc1OC 2330452215 MSJXEBFSHQIFOH-UHFFFAOYSA-N 433.577 5.072 30 10 IKEE Cc1ccc(CSc2nnc(-c3cccs3)n2N=Cc2ccc(C(=O)O)cc2)cc1 2330530060 HHHBKKGJONRWKE-UHFFFAOYSA-N 434.546 5.188 30 10 IKEE Cc1ccc(CSc2nnc(-c3cccs3)n2N=Cc2cccc3ccccc23)cc1 2330530292 DFPFQHJRNNJEMG-UHFFFAOYSA-N 440.597 6.643 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl 2330625145 ALLKYHDNMWUKRS-UHFFFAOYSA-N 427.884 6.020 30 10 IKEE Cc1ccccc1CCC(=O)Oc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl 2330627540 OXBMFARNLMQCHW-UHFFFAOYSA-N 449.890 5.991 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(OC)c2)cc(OC)c1OC(=O)c1ccco1 2330733854 XNLQLCHOCNLNCN-UHFFFAOYSA-N 448.471 5.149 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OC(=O)CCOC 2330821300 OISCCEDYHVVDDC-UHFFFAOYSA-N 449.330 5.569 30 10 IKEE COC(=O)c1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2C2CCCC2)cc1 2331044389 BPBOYGJRRMVIQE-UHFFFAOYSA-N 434.565 5.205 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2C2CCCC2)c1 2331076175 MIJFUQSWKYNIMB-UHFFFAOYSA-N 434.609 6.126 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)c1ccccc1 2331138066 HRVFJSNDFSKBIU-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE CCOc1ccc(C(=O)Oc2c(Cl)cc(C=CC(=O)c3ccccc3)cc2OC)cc1 2331158174 FHAXJNARMMPNJW-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)CCc1ccc(Cl)cc1 2331179244 CMBLYMZLAREYTB-UHFFFAOYSA-N 434.919 6.173 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(C)c3)c([N+](=O)[O-])c2)cc1 2331201043 GITHFVGGKZKFKP-UHFFFAOYSA-N 431.444 5.417 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccco3)n2N=Cc2cc(Cl)ccc2O)c1 2331208402 FIDGVYGYNMQPPV-UHFFFAOYSA-N 438.940 5.688 30 10 IKEE C[C@H](C(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1)c1ccccc1 2331240070 LWLJIWMBVKGMTB-INIZCTEOSA-N 425.311 6.599 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccc(Cl)cc3Cl)cc2)cc1 2331259154 SHBCAGIVLXBWIU-UHFFFAOYSA-N 441.310 6.182 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2ccccc2C)cc1C 2331362587 DXTHUKXXXMWPEG-UHFFFAOYSA-N 435.597 5.114 30 10 IKEE COc1ccc(C(=O)Oc2c(Cl)cc(C=CC(=O)c3ccc(F)cc3)cc2OC)cc1 2331510410 GJURFOBWCCPCCU-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C(C)(C)C)ccc3C)cc2)cc1 2331786957 IYGWCXAUQZJQKP-UHFFFAOYSA-N 426.556 6.970 30 10 IKEE FC(=C(c1c(F)c(F)c(F)c(F)c1C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)F 2333208961 OSVRCROUISFXGH-UHFFFAOYSA-N 448.100 6.702 30 10 IKEE CC1(C)C[C@@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN(Cc2ccccc2)C1 2365104601 HVFFONBAMCKACS-HSZRJFAPSA-N 447.432 5.439 30 10 IKEE C=C(C)COc1ccccc1NC(=O)COc1c(Cl)cc(Cl)cc1Br 9823172 PHSCJZUOMKCVHL-UHFFFAOYSA-N 445.140 5.728 30 10 IKEE C=CCn1c(SCc2cccc(Cl)c2)nnc1C1CCN(Cc2cccs2)CC1 14991749 YOSONDXCLYHCQJ-UHFFFAOYSA-N 445.057 5.851 30 10 IKEE CSc1ccc([C@H]2N=C(Nc3nc4ccccc4o3)NC3=C2C(=O)CC(C)(C)C3)cc1 17098076 YJHYTFGYTDZNAW-OAQYLSRUSA-N 432.549 5.305 30 10 IKEE O=C1C[C@@H](c2cccc(Cl)c2)CC2=C1[C@H](c1ccc(O)cc1)n1c(nc3ccccc31)N2 19635001 UROMXKGVJMDXEN-GKVSMKOHSA-N 441.918 5.811 30 10 IKEE CC(C)Oc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(OC(C)C)cc2)cc1 21225002 YKQGRJIYAIKREF-NFBKMPQASA-N 433.548 5.265 30 10 IKEE Cc1cc(C)cc(C(=O)/N=C(\NCCc2c(C)nn(C)c2C)Nc2ccc(C(C)C)cc2)c1 32973614 AISCLDODCLECAB-UHFFFAOYSA-N 445.611 5.218 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C\c2ccc(OC(=O)c3ccc(C)cc3)c(OC)c2)c1 34954248 IOACNQPPBYRLQM-GHXNOFRVSA-N 432.472 5.136 30 10 IKEE Cc1ccc(/N=C2/NC(=O)S/C2=C\c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1C 35485251 VIEOQUWFOOEJHC-JAIQZWGSSA-N 443.355 7.398 30 10 IKEE C=CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccc(F)cc2)cc1 39879465 UFTYCUTWSKJYAU-XMMPIXPASA-N 441.458 5.555 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1cccc(OC)c1 40093582 MILJLHGFFYFQKE-QHCPKHFHSA-N 437.536 5.169 30 10 IKEE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1/C(=N/Nc1ccc(F)cc1)CCC2 40823924 ZUDLHAZNBXNCIM-WPWMEQJKSA-N 447.293 6.406 30 10 IKEE COC(=O)c1c(/N=C/c2cc(OC)c(OC)c(OC)c2)sc(Cc2ccccc2)c1C 59460282 HKSGMMOVLSBPGV-AFUMVMLFSA-N 439.533 5.210 30 10 IKEE CCCCCCCOc1ccccc1[C@H]1Nc2ccccc2C(=O)N1Cc1ccccc1 100140293 JELXDIDJHLOEJZ-MHZLTWQESA-N 428.576 6.803 30 10 IKEE CCCCCCCOc1c(Cl)cc(C(=O)NCc2ccc3c(c2)OCO3)cc1Cl 101138481 FDUJIRRGLJRMQA-UHFFFAOYSA-N 438.351 6.001 30 10 IKEE CCCCCCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccccc1Cl 101285124 JANBXKXHEXURSZ-QHCPKHFHSA-N 437.971 6.492 30 10 IKEE S=C1N(c2ccccc2Cl)/C(=N\C2CCCCC2)[C@H](N2CCCC2)C12CCCCC2 101377304 MYJVFHLCZRGACJ-PCRNYRQLSA-N 444.088 6.634 30 10 IKEE CCCCCCCCn1c(CCCNC(=O)Cc2ccc(Cl)cc2)nc2ccccc21 102156881 ULLRFWYAPGZCGU-UHFFFAOYSA-N 440.031 6.342 30 10 IKEE O=C(/C=C1\NCCc2cc3c(cc21)OCO3)c1cc(-c2cccs2)nc2ccccc12 102598278 GXSIVPKTADESPB-MOSHPQCFSA-N 426.497 5.062 30 10 IKEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 103091569 LSMHGTKATUANNY-FEYWKWKCSA-N 429.516 5.507 30 10 IKEE CCCCCCCCCCCC(=O)Nc1scc(-c2ccccc2)c1C(=O)OCC 106005424 LUNHDOJYMXMUID-UHFFFAOYSA-N 429.626 7.451 30 10 IKEE CCCN1C(=S)N[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C(=O)c2ccccc2)=C1C 169928651 ZJKJRXHEPWCOHZ-IBGZPJMESA-N 429.929 5.046 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccc2OC)cc1C 169941885 OMJWGGYNGLUIDP-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc(F)c(C)c2)=C(O)C(=O)N1c1cc(C)ccc1C 169943726 BJHGIAXINLUBSW-DEOSSOPVSA-N 445.490 5.542 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccc(C)c2)c1 169966094 BGVKHNOTEAMIMZ-DEOSSOPVSA-N 439.467 5.533 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(C(C)(C)C)cc1 169975362 SNPAIXSWYYXLDW-JOCHJYFZSA-N 439.527 5.046 30 10 IKEE CC(C)Oc1cccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2C2CCCC2)c1 169981601 CDCSLUSFLSCNPV-VWLOTQADSA-N 433.548 5.314 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1cccs1)c1ccc2ccccc2c1 169988367 ZZKOVGUUOTYVMB-QFIPXVFZSA-N 447.462 5.962 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@@H]2c2ccccn2)cc1 169992176 XBOHSOCOHUYYKX-XMMPIXPASA-N 440.543 5.724 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2C2CCCC2)cc1 170034104 JHARSXZEDRQJBR-DEOSSOPVSA-N 449.547 5.313 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccccc2)c1 170047342 LJYNZNLPOKPULJ-DEOSSOPVSA-N 438.483 5.350 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2c[nH]c3ccccc23)c1 170073707 RYFHUAYOWGWRSB-QHCPKHFHSA-N 442.446 5.099 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccccc2C)cc1 170088725 HKINAFMHSLZTSH-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2cccc(F)c2)c1 170140185 APFLKKCTPOSTTL-RUZDIDTESA-N 437.470 6.070 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2c2ccccc2)c1 170141729 QIDUPJHKGCCOFL-VWLOTQADSA-N 441.527 5.813 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)cc1C 170159787 LATBYPHHHVMSSD-JOCHJYFZSA-N 433.529 5.465 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccncc1)c1ccc(Cl)c(Cl)c1 170199302 YWOWREDDJIFYOX-IBGZPJMESA-N 443.261 5.310 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccncc2)c1 170204015 QVVIVBDTKVURCE-QFIPXVFZSA-N 448.906 5.305 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)c(C)c3)=C(O)C(=O)N2CCC)cc1 170215793 DIHTYMPSDSUXDD-HSZRJFAPSA-N 437.536 5.171 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(OC)ccc3Cl)[C@@H]2c2ccccc2)c1 170221472 CWUVZVNDWRIUDA-QFIPXVFZSA-N 449.890 5.140 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@H]1c1ccc(Cl)cc1 170236819 SQNQNDCHUPBPKD-JOCHJYFZSA-N 439.939 5.434 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1c1ccc(C#N)cc1 170272660 GLHNDIGPFMIYAV-XMMPIXPASA-N 433.467 5.131 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccco2)c1 170286845 OUTPUGYSGIPKDA-OAQYLSRUSA-N 437.879 5.505 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(C)o1 170297915 RPXSNWSAPCFLKO-IBGZPJMESA-N 443.908 5.090 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2ccc(C)o2)c1 170302211 WGTGQXMSMAERSE-XMMPIXPASA-N 443.499 5.313 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2c2ccc(C#N)cc2)o1 170305083 MVERIBJXRZUBFP-QHCPKHFHSA-N 442.471 5.030 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(OCC(C)C)cc2)c1 170344636 LXUILZABGSVXBL-QHCPKHFHSA-N 447.556 5.874 30 10 IKEE COc1cccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(C(F)(F)F)cc2)c1 170431344 UWDVSMVXINATCB-GOSISDBHSA-N 433.426 5.229 30 10 IKEE Cc1cc2nc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@H]3c3ccc(O)cc3)sc2cc1C 170451275 AOPYGOKDNKNWDW-OAQYLSRUSA-N 436.533 5.134 30 10 IKEE Cc1cccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2nc3c(F)cc(F)cc3s2)c1 170461753 HTDZUTAMZAMIJB-SFHVURJKSA-N 442.487 5.398 30 10 IKEE C/C=C1/C(=O)[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@@H]3[C@@H](C)CCC(=O)OC)[C@@]2(C)CC[C@@H](O)C[C@@H]12 206135630 SXDZXAFUWCERDJ-AZOOWVJWSA-N 430.629 5.331 30 10 IKEE CCCN1C(=O)/C(=C\c2ccc(OC)c(Cl)c2)SC1=Nc1ccc(OCC)cc1 252599760 DLGWNTCNKOEYDP-KAWQFOENSA-N 430.957 5.761 30 10 IKEE Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(N=Cc3ccc(Cl)cc3Cl)cc1)N2 254372391 JAHNEERZSBIKFN-TVZXLZGTSA-N 433.382 7.879 30 10 IKEE Cc1ccc(NN=C2C(=O)N(c3nc(-c4ccccc4)cs3)N=C2c2ccccc2)cc1 254629924 MHSBDNBGCKEARU-UHFFFAOYSA-N 437.528 5.338 30 10 IKEE N#Cc1c(N=Cc2ccc(-c3ccc(N=Nc4ccccc4)cc3)o2)sc2c1CCCC2 254817973 DZGXQTANPNRZJP-UHFFFAOYSA-N 436.540 7.925 30 10 IKEE COc1cc(/C=C2\SC(=Nc3ccccc3)N(c3ccccc3)C2=O)ccc1OC(C)=O 254852707 LCIYFIZWHQTBJU-ZYITZIQLSA-N 444.512 5.429 30 10 IKEE Cc1ccc([C@H]2C(c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)o1 526514983 GGYXNSOTACWIGA-DEOSSOPVSA-N 428.488 5.552 30 10 IKEE Cc1c([C@H]2C(c3cccs3)=C(O)C(=O)N2c2ccccc2C#N)c2ccccc2n1C 526607596 YWQJNSKWFMONOK-QHCPKHFHSA-N 425.513 5.477 30 10 IKEE CCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1cccc(OCC)c1 526805165 BMVATMRZXJHYTA-ONUIUJJFSA-N 436.625 6.101 30 10 IKEE Cc1ccccc1/C=N\n1c(CCc2ccccc2)nnc1SCc1ccc(Cl)cc1 526807828 DEDAZIISNKWKGN-PKAZHMFMSA-N 447.007 6.200 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2sccc2C)c(C)c1 526812513 YTZHNPQAKPOSGK-QQXSKIMKSA-N 446.645 6.225 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccc(OC)c(OC)c1 526812694 IGGNCXCVKURAIN-OYKKKHCWSA-N 444.988 5.466 30 10 IKEE CCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1ccc(OC(C)C)c(Cl)c1 526818616 RPBVCAKTCMWLOZ-MXAYSNPKSA-N 443.016 6.072 30 10 IKEE CC1(C)Cc2cccc(OCC#CCNC(=O)CC(c3ccccc3)c3ccccc3)c2O1 585254401 BRTVTVRQOTUVBO-UHFFFAOYSA-N 439.555 5.121 30 10 IKEE C=CCCN(c1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586252319 HUDKEQVTKCCLPK-UHFFFAOYSA-N 426.626 5.746 30 10 IKEE C=CCN(CC=C)C(=O)Nc1cccc(C(=O)Nc2ccc(C)c(Br)c2)c1 586673667 VOGATYOPICMYJG-UHFFFAOYSA-N 428.330 5.216 30 10 IKEE C=CCC[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCCC 686842163 VUIWZTHZQWGVTK-QHCPKHFHSA-N 429.649 5.270 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCc2ccccc2C1 698402732 AKWVCPSGAFZONS-JOCHJYFZSA-N 427.342 5.642 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@](C)(C#N)[C@H]1CC2CCC1CC2 698470642 QFRVMPBDGYKTHM-WLYLWTSJSA-N 433.390 6.299 30 10 IKEE CNCc1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1-c1ccc(F)cc1F 725398772 PXSITVXWAIXCEY-UHFFFAOYSA-N 435.318 5.575 30 10 IKEE O=C1/C(=C/c2cccn2-c2ccccc2)SC(=Nc2ccccc2)N1Cc1ccccc1 1083931548 MHDNRHSNOVFZEB-PAPBZEPUSA-N 435.552 6.282 30 10 IKEE CC1=NN(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)C1=NNc1cc(Cl)ccc1C 1083968518 FUSKGDVAPQXNIS-UHFFFAOYSA-N 444.347 5.616 30 10 IKEE CCOc1ccc(NN=C2C(=O)N(c3nc(-c4ccc(Cl)cc4)cs3)N=C2C)cc1 1084488464 PJWOMJPHXVTDOK-UHFFFAOYSA-N 439.928 5.053 30 10 IKEE O=C(Nc1cccc(Cl)c1)c1cccc(N=Cc2ccc(OCc3ccccc3)cc2)c1 1084525860 FKGWFAVSELHDGC-UHFFFAOYSA-N 440.930 6.922 30 10 IKEE N#CCCN(Cc1ccccc1)C(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1088730297 OOYXWWGYMHSMDS-UHFFFAOYSA-N 431.405 5.837 30 10 IKEE C=CCCCCCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1c(C)coc1C 1722595848 WEXCRSMKZLNRAX-UHFFFAOYSA-N 446.555 5.035 30 10 IKEE O=C1N=C(NN=Cc2ccccc2)S/C1=C/c1cn(-c2ccccc2)nc1-c1ccccc1 1772724029 BSXDHRGRFCACGD-JJLMGMJGSA-N 449.539 5.133 30 10 IKEE CCc1ccc(OC(=O)c2oc3c(c2C)C(=NNc2ccc([N+](=O)[O-])cc2)CCC3)cc1 1772747002 GOABFCUMZILLPJ-UHFFFAOYSA-N 433.464 5.430 30 10 IKEE Cc1ccc(-n2cc(/C=N\NC(=S)Nc3cccc(Cl)c3)c(-c3ccccc3)n2)cc1 1857812218 ZBIRTBJYSNRUPJ-YSMPRRRNSA-N 445.979 5.822 30 10 IKEE N#C[C@H](c1cccs1)N1CCC(C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 1858107288 YXJSPRNLYOWESC-HSZRJFAPSA-N 431.561 5.242 30 10 IKEE CCOC(=O)c1sc(NC(=O)c2ccc3c(c2)ncn3C2CCCCC2)c(C#N)c1C 1859735904 BIJNSKQOLNCMNT-UHFFFAOYSA-N 436.537 5.212 30 10 IKEE CCCCCCCCCCNC(=O)CNC(=O)c1ccc2[nH]c(-c3ccc(C)cc3)nc2c1 1861431824 PPKBFBFUBRUTGE-UHFFFAOYSA-N 448.611 5.525 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCC)NC(=O)CCCOc1ccc(C(C)(C)C)cc1 1861694482 YHJXMUWKXXKKKN-XMMPIXPASA-N 446.676 5.905 30 10 IKEE CCCCCCCCNC(=O)c1cc(CCc2ccccc2)n(-c2ccc(Cl)cc2)n1 1862318102 HANFMVVUEMHKGN-UHFFFAOYSA-N 438.015 6.401 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@@H]1c1ccc(F)cc1)c1ccccc1Cl 1862430101 BXLJTEKSALLKOA-HXUWFJFHSA-N 441.911 5.362 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1c(F)cccc1Cl)c1ccccc1Cl 1862434942 KORWJRWGANMMLS-FQEVSTJZSA-N 448.321 6.044 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862442192 QDFBBBCUJYLACX-QHCPKHFHSA-N 437.967 6.340 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccccc2C(=O)O)cc1 1862477734 QKOWLXMIFXSKEW-HSZRJFAPSA-N 445.515 5.162 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccc(F)cc2)c1 1862490245 QNZKXJUIRDVWFE-QHCPKHFHSA-N 433.454 5.360 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2cccc3ccccc23)c1 1862494354 LHHNLXVUECQQBW-RUZDIDTESA-N 443.543 5.198 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(O)cc1 1862507634 QDAKFOFHRMFJIC-WMZHIEFXSA-N 439.527 5.777 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(Cl)cc1Cl 1862508128 FEFLDOUMFSNORH-BLVKFPJESA-N 436.310 5.818 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2C(C)C)cc1 1862540060 FMUIGKKQAYVFDB-DEOSSOPVSA-N 435.564 5.805 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(C(=O)OC)cc1 1862620683 XYEPNWGMVZYKJT-ZHRRBRCNSA-N 449.547 5.148 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccccc2C)cc1F 1862638852 LQPHVJDDHOQNMR-DEOSSOPVSA-N 449.522 5.612 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc(Cl)c1 1862652294 FYEZCXSUVUISCO-HSZRJFAPSA-N 433.935 6.118 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2Cl)cc1 1862660777 MCBXYHDCRIENAS-QHCPKHFHSA-N 437.967 6.374 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2ccccc2)cc1 1862687290 IQQSFFYQNIHHFI-CJAUYULYSA-N 441.527 5.597 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3cccc4ccccc34)C2=O)c(C)c1 1862847228 CPFLKMUSTFNMGK-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cccc4c3CCCC4)C2=O)cc1 1862903589 HHQKZFOJKIZCEC-UHFFFAOYSA-N 433.511 5.142 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(Nc3ccccc3C#N)=C(c3cccs3)C2=O)cc1 1863485385 AUHJFNFDRRQPTG-INIZCTEOSA-N 427.529 5.135 30 10 IKEE CC(C)[C@@H]1c2[nH]cnc2CCN1c1cc(Nc2ccccc2C#N)nc(-c2ccccc2)n1 1868373710 ZVDQAEVSPSDYOV-RUZDIDTESA-N 435.535 5.242 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3ccccc3[C@@H]2c2cccc(F)c2)nc(C(C)C)n1 1869088796 NBXFSAWNUOJOHH-MHZLTWQESA-N 442.582 6.070 30 10 IKEE Cc1cc(C)c(Cn2nnc(C#N)c2NC(=O)[C@@H](Cc2ccccc2)c2ccccc2)c(C)c1 1870108607 PHOGFAZTTHSYLR-DEOSSOPVSA-N 449.558 5.088 30 10 IKEE CCCCCCCCCCn1cc(OCCCC(=O)OCC)c(=O)cc1CN1CCCC1 1870371873 OZJHCAIWQHYUQX-UHFFFAOYSA-N 448.648 5.307 30 10 IKEE C=CCOc1cn(CCC2=CCCCC2)c(CN2CCC(Cc3ccccc3)CC2)cc1=O 1870387488 GKUCSNQKWIKIRK-UHFFFAOYSA-N 446.635 5.758 30 10 IKEE CCCCCCCOc1cn(C[C@@H]2CCCO2)c(CNc2cc(Cl)ccc2C)cc1=O 1870833834 VVZBEMMLBWHWMY-QFIPXVFZSA-N 447.019 5.950 30 10 IKEE CCCCCCCCCCn1cc(OCC(C)C)c(=O)cc1CNc1ccc(C)c(C)c1 1870858586 PJEPQDZXARLZCB-UHFFFAOYSA-N 440.672 7.253 30 10 IKEE CCCCCCCCCCn1cc(OCCC)c(=O)cc1CNc1ccc(C(C)C)cc1 1871106130 KFQSEJCVTHDFBM-UHFFFAOYSA-N 440.672 7.513 30 10 IKEE CC(C)OCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(-c2ccccc2)cc1)C3=O 1871345398 PUKRBQOOXQNYKZ-QQXSKIMKSA-N 441.527 5.547 30 10 IKEE CCCCCCCCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(C)o1)C3=O 1871350873 XZCYTKTURFLSHL-JLPGSUDCSA-N 437.580 6.805 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O3)CN(C1CCCCCC1)CO2 1871352267 XVFODKIGWVHNRG-MYYYXRDXSA-N 431.576 6.609 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc(C(C)C)cc4)ccc3C2=O)c1 1871380641 ZEYRUPJHZGHCFT-ZPACDPCRSA-N 440.495 6.054 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(ccc(O)c3CN3C[C@@H](C)C[C@H](C)C3)C2=O)cc1 1871396696 RJAXDGXUPWLWCK-KLLVMDPRSA-N 434.580 5.333 30 10 IKEE Cc1cc(O[C@H](C)C(=O)Nc2ccc(F)cc2)cc2c1C(=O)/C(=C/c1ccc(F)cc1)O2 1871400848 MWDWVVNNNGEJHF-SRMCNWIXSA-N 435.426 5.295 30 10 IKEE CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2)C3=O)cc1 1871408746 ZICRWAIEAMYGQN-WMWHPZEKSA-N 429.472 5.108 30 10 IKEE COc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccccc1)C2=O 1871411517 INYPYDMSQFBONN-NQRZERFFSA-N 429.472 5.026 30 10 IKEE Cc1cc(Cl)ccc1NC(=O)COc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 1871454672 QYWIMSNAYCBISG-ABVWVXPPSA-N 445.902 5.838 30 10 IKEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccccc1 1872443776 MVKDXHDUPYAIOL-HSZRJFAPSA-N 428.598 5.040 30 10 IKEE CC(C)c1ccc(O[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 1872760687 VRJWNEMBVCODIM-FOIQADDNSA-N 435.505 5.485 30 10 IKEE Cc1cc(-c2csc([C@H](C#N)C(=O)CCCCCNC(=O)c3ccccc3)n2)ccc1F 1872773112 WMOYFXSFGMZLKX-HXUWFJFHSA-N 449.551 5.424 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccccc3C(C)C)n2)c(C)c1C 1872778751 SUKIUDZZDPLMMW-GHTZIAJQSA-N 448.588 6.203 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(C)c(C)c3)n2)c2ccccc12 1872788269 FLGOKQIJRDFACC-QFIPXVFZSA-N 442.540 5.844 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc(CN2CCN(c3ccccn3)CC2)cc1 1872878948 IMXIKXVCDQZJIQ-UHFFFAOYSA-N 436.644 5.274 30 10 IKEE CCCCCCCCN1C(=O)C(NC2CCCCC2)=C(c2cccc3ccccc23)C1=O 1873026468 DAKPVYCJFDVMCL-UHFFFAOYSA-N 432.608 6.203 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2C)C(=O)N(C2CCCCCC2)C1=O 1873102377 QFKOXDGEAISKJH-UHFFFAOYSA-N 438.656 6.528 30 10 IKEE CCCCCCCCN=c1nc2c(cnn2-c2ccccc2)c(Nc2ccc(C#N)cc2)[nH]1 1873478389 UWUUXBKTXIBOAJ-UHFFFAOYSA-N 439.567 5.625 30 10 IKEE CCOc1cc(/C=N/n2c(S)nnc2C(CC)CC)ccc1OCc1ccc(C)cc1 1873502715 RMUDSHXIMBOZSY-MFKUBSTISA-N 438.597 5.639 30 10 IKEE CCCCCCCCNC(=O)c1cc2c(N(CCCC)CCCC)ncnc2n1CC 1873570246 KROKKVGKYKLVDT-UHFFFAOYSA-N 429.653 5.948 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(-c3ccccc3C)cc2)cc2c(N3CCCC3)ncnc21 1873650783 VTHMILVOJJOIPZ-UHFFFAOYSA-N 437.547 5.445 30 10 IKEE CCCN1CC(=O)C(c2nc3ccccc3s2)=C1NC(=O)/C=C/c1ccc(C(C)C)cc1 1873710583 LHYOWYJZLJUMCU-SDNWHVSQSA-N 445.588 5.213 30 10 IKEE O=C(Cc1cnc(-c2ccc(F)cc2)s1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1874180980 BCSPYZROLNKUBC-UHFFFAOYSA-N 448.363 6.168 30 10 IKEE CCCSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1ccc(CC)cc1 1874209682 QMXBZTCWTDFKAK-HZHRSRAPSA-N 443.414 5.578 30 10 IKEE CCCSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1cccc(OCC)c1 1874254037 SMIPKELEOAKKRX-XIEYBQDHSA-N 438.597 5.381 30 10 IKEE C=CCSc1nnc(CCc2ccccc2C)n1/N=C/c1ccc(Cl)cc1Cl 1874362333 ZHYPPNHNDMBUFZ-ZVHZXABRSA-N 431.392 5.839 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1ccc(OCCCC)cc1 1874389475 QEPNBFNNQHTUFZ-YZSQISJMSA-N 434.609 5.907 30 10 IKEE Oc1cccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2cccc(F)c2)c1 1874402195 MLDGBQRVDCFSJC-WGOQTCKBSA-N 432.524 5.083 30 10 IKEE Oc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccccc2F)cc1O 1874408335 QURMBFBFWDZGIS-AFUMVMLFSA-N 440.544 5.126 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1cccs1 1874425832 CUIZTRRHQUWLIW-BUVRLJJBSA-N 447.589 5.182 30 10 IKEE Cn1cc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C(F)(F)F)c2ccccc21 1874463199 XEMBWNSDCAACRF-KIBLKLHPSA-N 449.889 5.617 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccccc1C 1874480326 RVAYHNWFQFPEEI-ZMOGYAJESA-N 433.408 6.410 30 10 IKEE C=C(C)CSc1nnc(C2CCC2)n1/N=C/c1ccc(OCc2ccc(C)cc2)cc1 1874495586 TYJAJFKRXUVSTM-CVKSISIWSA-N 432.593 5.983 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2C2CCC2)c(OC)c1 1874495773 DTACEBFQRIMZAF-AFUMVMLFSA-N 436.581 5.354 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1c(Cl)cccc1Cl 1874507610 MALIKOYHSPNEOW-WYMPLXKRSA-N 433.408 6.329 30 10 IKEE C=CCSc1nnc(CCC)n1/N=C/c1ccc(OCCc2ccccc2)c(OC)c1 1874508578 LIVHGJBLUJBSTL-XIEYBQDHSA-N 436.581 5.021 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(SCc2cccc(Cl)c2)nnc1C1CC1 1874520243 ILPRLVDAVQWBED-ZMOGYAJESA-N 426.973 5.771 30 10 IKEE O=[N+]([O-])c1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CC2)cc1 1874520484 GUQJZPSIESKBRB-ZVHZXABRSA-N 429.505 5.391 30 10 IKEE Sc1nnc([C@H]2CCCO2)n1/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 1874559991 AWESOIJGUWGKIL-TYLRVVQJSA-N 449.363 5.186 30 10 IKEE COC(=O)c1ccc(COc2ccc(Cl)cc2/C=C/C(=O)c2cccc([N+](=O)[O-])c2)o1 1874571504 QXESZELYIKVQNV-VMPITWQZSA-N 441.823 5.103 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCc2cccc(Cl)c2)c1 1874572540 SLZVTYVJUDNJLJ-MDZDMXLPSA-N 443.326 6.486 30 10 IKEE COC(=O)COc1c(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc(Cl)cc1OC 1874579273 GAYQFBKIWKYSNL-GQCTYLIASA-N 429.683 5.103 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccccc2OCC(=O)N[C@@H](C)c2ccccc2)c(C)c1 1874589117 USFMAUPAUYQMTM-FRFYRWIFSA-N 427.544 5.764 30 10 IKEE CCOc1c(/C=C/C(=O)c2ccc(OC)c(Cl)c2)cc(Br)cc1OC 1874591068 QLKWUJPOPSKZHC-FNORWQNLSA-N 425.706 5.415 30 10 IKEE COC(=O)c1ccc(COc2cc(/C=C/C(=O)c3cccc(Cl)c3)ccc2OC)o1 1874595300 DJCZJIDFBSFZOC-RMKNXTFCSA-N 426.852 5.203 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1OCc1ccccc1F 1874600848 GQDJSJPPFJCFDV-UXBLZVDNSA-N 431.290 6.616 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)cc2)c(C)c1 1874603603 VGERNEOQMOLZNG-MHWRWJLKSA-N 439.555 6.096 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3ccccc3C)c(OC)c2)cc1C 1874606757 FJLHJYYJYPOAJQ-ZRDIBKRKSA-N 432.516 5.804 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(C)cc3)c(Br)c2)cc1 1874609256 HEKJVOMEURAXQR-NTUHNPAUSA-N 437.333 6.241 30 10 IKEE C=C(C)COc1c(Br)cc(/C=C/C(=O)c2ccc(OCC)cc2)cc1OC 1874615241 NQXVYHHHNBMRPI-IZZDOVSWSA-N 431.326 5.707 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(C)c1 1874634065 JVFLPBWENCVLRS-IZZDOVSWSA-N 425.355 7.394 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1)Nc1ccc(F)cc1 1874637491 CATOMSGBIJMBPE-KGVSQERTSA-N 444.289 6.046 30 10 IKEE COC(=O)COc1c(Cl)cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1OC 1874637917 YQLKLJSCCRKAEP-ZZXKWVIFSA-N 429.683 5.103 30 10 IKEE CCc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc4c(c3)CCCC4)ccc2OC)cc1 1874693348 AKRZAOMNAICILA-MHWRWJLKSA-N 440.539 6.252 30 10 IKEE Cc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)c2)cc1[N+](=O)[O-] 1874710730 ISPAHBBECMPOPY-ZRDIBKRKSA-N 443.499 6.252 30 10 IKEE Cc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)c2)cc1C 1874710960 NPFKXLLWSDHHPU-ACCUITESSA-N 442.555 6.418 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cccc(OC(=O)c3cccc(F)c3)c2)c1 1874712144 RPPWEECBQNSBMY-ACCUITESSA-N 434.463 5.738 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(OCC(C)C)cc3)c2)cc1C 1874714146 GMWVBFXCPGLLDD-OQLLNIDSSA-N 428.528 6.454 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1Br 1875087981 LFJNCKGVWTUHRN-CSKARUKUSA-N 432.270 5.349 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc(Br)c2)c(Cl)c1)c1ccccc1 1875128151 PZPVVZDDGCDSRK-PKNBQFBNSA-N 441.708 6.218 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 1875142487 GCHYOYCMVPFVMQ-XYOKQWHBSA-N 449.434 5.556 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(OC)ccc2OC)cc(OC)c1OC(=O)c1ccco1 1875147354 RYTYWNJKHUDXET-PKNBQFBNSA-N 448.471 5.149 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cc(Cl)c(OC(=O)CC)c(OC)c2)c1 1875171651 HDMLNWJQYZISLV-CSKARUKUSA-N 432.900 5.358 30 10 IKEE CCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2cc(Cl)c(OC)cc2OC)cc1OC 1875173899 YHXDEYJISOQJAZ-VOTSOKGWSA-N 439.291 5.231 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)c1ccccc1 1875183638 LUIKNGPIHGLERK-BUHFOSPRSA-N 440.539 6.464 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc(OC)c1OC(=O)C1CCC1 1875185348 SONPFQDBYQTEIY-FYWRMAATSA-N 446.587 6.631 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2ccc(F)cc2F)cc1 1875191938 LUJQUJYKZICQRN-ONNFQVAWSA-N 442.845 5.671 30 10 IKEE CN[C@@H](CC#CC1CCCCC1)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1947488959 ITRGRUKFXHDJPD-ZEQRLZLVSA-N 428.617 5.048 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@]1(C#N)CN(Cc2ccccc2)C(C)(C)C1 1949248865 XHKNNYCNYZIEER-RUZDIDTESA-N 439.987 6.028 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2CC(C#N)(N(Cc3cccs3)C(=O)OC(C)(C)C)C[C@H]2C1 1996808889 SZPKBGWWZXOOOL-IRXDYDNUSA-N 447.601 5.024 30 10 IKEE C=CC1(C[C@H](NCCC)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)CCC1 2002629157 ZXSWQVBYHRHUOL-XZOQPEGZSA-N 429.649 5.126 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C1 2005381815 FKKPJLZIAUXCFC-QHCPKHFHSA-N 449.979 5.765 30 10 IKEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(C)sc(C)c1Br 2027395881 ROKCGWOTXKWGQQ-RHSMWYFYSA-N 429.424 5.085 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@](C)(C#N)CSC(C)(C)C 2028150903 DRSNQRNOYOZGCO-IBGZPJMESA-N 427.408 6.005 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@H](C#N)c1c(Cl)cccc1Br 2033938521 SXNJZTWAFQSMCX-OAHLLOKOSA-N 441.778 6.166 30 10 IKEE CCN[C@H](CC#CC(C)(C)C)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2041902431 IYEFSZAQGQKWEK-YIXXDRMTSA-N 442.644 5.248 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@@]1(C#N)CCC(F)(F)C[C@@H]1OCc1ccccc1 2043781050 JQLNMFVFOQNYBE-XUZZJYLKSA-N 442.506 6.095 30 10 IKEE CCCNC1(C#N)CCC(CN(CCN(C)Cc2ccccc2)Cc2ccccc2)CC1 2048851318 RUUKEPCMTTWTLO-UHFFFAOYSA-N 432.656 5.073 30 10 IKEE Cc1ccc([C@@H](n2nc(C3CCC3)c(C#N)c2I)C2(C)CC2)cc1C 2079130527 DOHIRVMWUROFEM-LJQANCHMSA-N 445.348 5.633 30 10 IKEE CCCc1ccc([C@@H](CC)n2nc(C3CC3)c(C=NO)c2I)cc1 2079846237 AEWWWTMNTFIDAG-QGZVFWFLSA-N 437.325 5.125 30 10 IKEE Cc1cc(C)c([C@@H](C(C)C)n2nc(C(F)F)c(C#N)c2I)c(C)c1 2079857440 AKJCCEODBSVAJZ-MRXNPFEDSA-N 443.279 5.468 30 10 IKEE CCCOc1ccc([C@@H](C2CCC2)n2nc(C(C)(C)C)c(C=NO)c2Br)cc1 2080077329 CRYHYYVAPUBBCK-LJQANCHMSA-N 448.405 5.930 30 10 IKEE C=CCCCCCCCC[C@@H](NCC)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2086264631 VXZOGZREWCIUQH-JWQCQUIFSA-N 446.676 6.381 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)cc(C)cc1Br 2116827598 BZXQVLODLPWVEC-AEFFLSMTSA-N 429.374 5.407 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(C)cc(Br)c1 2134102895 DCQLKLISFDWUBC-RTBURBONSA-N 425.411 5.658 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(C)c(Br)s1 2137593660 WIUDAKZUZUANMG-CQSZACIVSA-N 437.359 5.834 30 10 IKEE COc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)c(C)n1 2157051975 RYXCWXFKCQROTB-KRWDZBQOSA-N 432.318 5.168 30 10 IKEE CC(C)(C)OC(=O)NCc1ccc([C@](C)(C#N)Nc2ccc(Br)cc2)cc1 2187544773 VTNNHSRSWFFAGD-NRFANRHFSA-N 430.346 5.325 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(F)c(Br)c(F)c1 2207154634 QATBPYQLWRPYSF-AEFFLSMTSA-N 445.348 5.075 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@]1(CNC(=O)OC(C)(C)C)C[C@H]2CC[C@H]1C2)NCC 2223784113 NHXIIXNUVXNLPD-TTZMFTMZSA-N 442.644 5.459 30 10 IKEE O[C@@H](C#Cc1ccccc1Br)c1cc(Br)cc(Br)c1 2227480789 DVAIZNZJKWUDPV-HNNXBMFYSA-N 444.948 5.059 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)[C@](C)(CCC)NC(=O)OC(C)(C)C 2235732496 SEJSZAUQAAMSLL-UGKGYDQZSA-N 437.422 5.252 30 10 IKEE C=CCC1([C@H](NCC)c2ccc(Br)cc2CC)CN(C(=O)OC(C)(C)C)C1 2237548215 URIUEPRFIXZLSO-LJQANCHMSA-N 437.422 5.475 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2cccc(Br)c2C#N)C[C@@H]2CCCC[C@H]21 2240971719 GGPOQQTXFZSJJL-YZVOILCLSA-N 434.378 5.301 30 10 IKEE C=CCCC1([C@H](O)c2cccc(Br)c2Cl)CN(C(=O)OC(C)(C)C)C1 2254928289 ZWSHDJUGJGJGRY-MRXNPFEDSA-N 430.770 5.339 30 10 IKEE CC(C)(C)C#CC=CC[C@H](O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2256688589 WECWDMQQCQUZFQ-WNCULLNHSA-N 441.612 5.187 30 10 IKEE C=C(COCc1ccccc1)[C@@](C)(OCC(=O)O)c1cccc(NC(=O)OC(C)(C)C)c1 2261973520 JCMUCYIVMHBLSA-RUZDIDTESA-N 441.524 5.123 30 10 IKEE C[C@@H](NC(=O)OC(C)(C)C)c1cccc(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)c1 2267002453 ZJLZGIJZJJAXKL-MRXNPFEDSA-N 444.381 5.227 30 10 IKEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)Cc1cccs1 2267604780 IKZYXTKIAFASFM-UHFFFAOYSA-N 447.409 5.198 30 10 IKEE CCN1C(=O)C(=C2Sc3ccc(Cl)cc3N2CC)SC1=NCCc1ccccc1 2295201886 LOKJFMSLYCLMKH-UHFFFAOYSA-N 444.025 5.635 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C 2296267099 PISPXZMEFAHLST-MOPGFXCFSA-N 437.422 5.108 30 10 IKEE CCc1ccc(N=C2SC(=Cc3ccc(OC)cc3)C(=O)N2c2ccc(CC)cc2)cc1 2296806911 RTCHOQLYFPLBED-UHFFFAOYSA-N 442.584 6.629 30 10 IKEE Cc1ccc(COc2ccc3c(c2)OC(=Cc2cc(Cl)cc4c2OCOC4)C3=O)cc1 2296871304 LMNUULUBHCFVST-UHFFFAOYSA-N 434.875 5.710 30 10 IKEE CCCCCCCCOc1ccc(C=C2SC(=S)N(c3cccc(C)c3)C2=O)cc1 2296882311 OERNSJQCJYSDMU-UHFFFAOYSA-N 439.646 7.140 30 10 IKEE C=CCOc1ccc(Br)cc1C=C1SC(=N)N(c2ccc(F)cc2)C1=O 2297334488 XPDIZTQXAOYALJ-UHFFFAOYSA-N 433.302 5.209 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4ccc(Br)cc4)ccc3C2=O)cc1 2314438595 YLZNKICMSUJCSC-UHFFFAOYSA-N 435.273 5.593 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=Nc1nc(-c2ccccc2)cs1 2314543489 FNHBXXXPRFEPDG-UHFFFAOYSA-N 447.541 5.329 30 10 IKEE O=C(O)c1cccc(N=C2SC(=Cc3c[nH]c4ccccc34)C(=O)N2c2ccccc2)c1 2314548796 WRZZIBCIMQEXDM-UHFFFAOYSA-N 439.496 5.675 30 10 IKEE CC(C)[C@H]1C[C@@H](Nc2ccc(C#N)c(Br)c2)CN1C(=O)OCc1ccccc1 2321253767 UTPVZLWWVFNJLO-TZIWHRDSSA-N 442.357 5.168 30 10 IKEE Cc1cc(OCc2c(Cl)cccc2Cl)cc2c1C(=O)C(=CC=Cc1ccccc1)O2 2321779789 OHSDECNNWQJYQZ-UHFFFAOYSA-N 437.322 7.053 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc4c3CN(CCc3ccccc3)CO4)C2=O)cc1 2321937152 MECNZOJSGHILDG-UHFFFAOYSA-N 427.500 5.096 30 10 IKEE O=C1C(=Cc2ccccc2OC(F)F)Oc2c1ccc1c2CN(CCc2ccccc2)CO1 2321937324 YNLRECFJLGGPRG-UHFFFAOYSA-N 449.453 5.299 30 10 IKEE CCOc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN([C@@H](C)c2ccccc2)C4)cc1 2322092510 BGHXACIHBXOJLG-IBGZPJMESA-N 441.527 5.923 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O3)CN(CCCCCO)CO2 2322095621 HIKDOYQDRYWAFY-UHFFFAOYSA-N 435.564 5.223 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(N(C)C)cc1)C3=O)CN(CCc1ccccc1)CO2 2322288853 LBOJLHDDOKXBMX-UHFFFAOYSA-N 440.543 5.072 30 10 IKEE CCOC(=O)c1ccc(COc2c(C=CC(=O)c3ccc(CC)cc3)cccc2OC)o1 2322371045 IFXDLDIHRQRNNH-UHFFFAOYSA-N 434.488 5.502 30 10 IKEE Cc1cccc(CN2COc3c(cc4c(c3C)OC(=Cc3cccc(Cl)c3)C4=O)C2)c1 2322432452 HVASXRIMTPSNKW-UHFFFAOYSA-N 431.919 5.925 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(Cl)cc2)c1OCc1ccc(C)cc1 2322532206 SNIDESGPJNDEHO-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1ccc(Cl)cc1)NCc1ccco1 2322535019 ZYYXDHZNESJNLR-UHFFFAOYSA-N 430.287 5.178 30 10 IKEE Cc1cc(C(=O)C=Cc2c(OCc3ccc(Cl)cc3)ccc3ccccc23)ccc1F 2322630916 MGWDAOHNVDSNLO-UHFFFAOYSA-N 430.906 7.416 30 10 IKEE O=C(C=Cc1c(OCCc2ccccc2)ccc2ccccc12)c1ccc2c(c1)OCCO2 2322668017 FPACJUVUZIPWKO-UHFFFAOYSA-N 436.507 6.129 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(C)c(C)c2)c1OCc1ccc(Cl)cc1 2322894824 XORQJWGFFFZDLS-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccc(C)c(C)c2)cc1Cl 2322974903 LRPKIURIQVHXQT-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCCNC(=O)COc1ccc2ccccc2c1C=CC(=O)c1cc(Cl)ccc1OC 2323022447 OZJDOZZHSHUINQ-UHFFFAOYSA-N 437.923 5.303 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1OCc1ccc(F)cc1 2323044133 XQZNJMMLMZDBEC-UHFFFAOYSA-N 438.498 6.976 30 10 IKEE COc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1OCc1c(F)cccc1Cl 2323044376 YFTDQNITIQHEQT-UHFFFAOYSA-N 441.842 5.871 30 10 IKEE COc1ccc(NN=Cc2cc(OC)c(OCc3cc(C)ccc3C)c([N+](=O)[O-])c2)cc1 2323069294 QRXJAQRLPVIIQG-UHFFFAOYSA-N 435.480 5.254 30 10 IKEE Cc1cc(OC(=O)c2cccc([N+](=O)[O-])c2)cc2c1C(=O)C(=Cc1ccc(Cl)cc1)O2 2323310101 JOKHNIVZTYCTJR-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(OC(=O)CCc4ccccc4)c3C)C2=O)cc1 2323724292 WHSYOHMLHZDSDQ-UHFFFAOYSA-N 428.484 5.548 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)c1 2324017337 AWBNUEZBUXEIIX-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE Cc1cc(O)c(CN2CCCc3ccccc32)c2c1C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)O2 2324025537 NHMXTOHXHFGBHY-UHFFFAOYSA-N 442.471 5.178 30 10 IKEE CCOc1ccc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)cc1Br 2324325200 DCWVDEUNBHWFQJ-UHFFFAOYSA-N 430.125 6.059 30 10 IKEE Cc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)OC(=Cc1sccc1C)C2=O 2324416704 YHRBPTYOUWKZFD-QGZVFWFLSA-N 433.529 5.696 30 10 IKEE Cc1cccc(OCCCOc2ccc3c(c2C)OC(=Cc2ccc(Cl)cc2)C3=O)c1 2324567765 YJMHXEWOZFLEHM-UHFFFAOYSA-N 434.919 6.421 30 10 IKEE COc1ccc(OCCOc2ccc3c(c2)OC(=Cc2c(F)cccc2Cl)C3=O)cc1 2324675561 UCRPUTSUTLPWSG-UHFFFAOYSA-N 440.854 5.562 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCc3cc(C)c(C)cc3C)cc(C)c2C1=O 2324765436 GTURDUCIQUTQSQ-UHFFFAOYSA-N 428.528 6.514 30 10 IKEE CCCC[C@H](Oc1ccc2c(c1)OC(=Cc1cccc(Br)c1)C2=O)C(=O)O 2324778085 XMZGCWCBKBTXEY-KRWDZBQOSA-N 431.282 5.088 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2F)C3=O)c(C)c1 2324890747 BEWDGFGIVNAONO-UHFFFAOYSA-N 431.463 5.385 30 10 IKEE COc1cccc(C=CC(=O)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1OC 2325610567 SDIKLCSYAUEPKZ-UHFFFAOYSA-N 437.879 5.371 30 10 IKEE Clc1ccc(CSc2nncn2N=Cc2cccc(Br)c2)cc1Cl 2325669040 OQQPGQRLHMIQQN-UHFFFAOYSA-N 442.169 5.522 30 10 IKEE Cc1cc(C)c(NC(=O)COc2ccc3c(c2)OC(=Cc2ccccc2F)C3=O)c(C)c1 2325736567 NBCRNGGVMLEWQB-UHFFFAOYSA-N 431.463 5.385 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2OC)cc1OC(=O)[C@@H](C)c1ccccc1 2325742862 DOUXBZNXLQTSMF-IBGZPJMESA-N 430.500 5.617 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)Cc3cccs3)c2)cc1C(C)C 2325753966 FLUJSISJLVPKMC-UHFFFAOYSA-N 434.557 6.233 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cccc4ccccc34)c2)cc1Cl 2325768979 QZTASVYZUNMRFW-UHFFFAOYSA-N 442.898 6.617 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccccc3F)c2)c2ccccc12 2325777407 VOEGUDUBIQAFAW-UHFFFAOYSA-N 426.443 6.103 30 10 IKEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1cccc(OCC(C)C)c1 2326513751 TUWRJRMGKIBUQB-UHFFFAOYSA-N 449.407 6.103 30 10 IKEE CCCCCCCOc1ccccc1C=Nn1cnnc1SCc1cc(C)ccc1C 2326589194 KVWCKYYERBKHCD-UHFFFAOYSA-N 436.625 6.419 30 10 IKEE CCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1N=Cc1ccc(C(C)C)cc1 2326868069 HCGHLHWYJCFHFD-UHFFFAOYSA-N 440.569 5.297 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2Cl)n1N=Cc1ccc(C(C)C)cc1 2327649434 DKSJCPXTNXGLKQ-UHFFFAOYSA-N 441.000 6.184 30 10 IKEE COc1ccc(CCc2nnc(SCc3ccccc3F)n2N=Cc2ccccc2)cc1 2328577493 GRUTVJQUMFEWLO-UHFFFAOYSA-N 446.551 5.386 30 10 IKEE C=CCSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1ccc(C(F)(F)F)cc1 2328796850 YIHLMORULQRWFB-UHFFFAOYSA-N 446.498 5.653 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccc(C)cc3C)n2N=Cc2cccnc2)c1 2328885865 AIOOHPLOPNXQBE-UHFFFAOYSA-N 443.576 5.352 30 10 IKEE CCc1ccc(C=Nn2c(SCC(=O)Nc3ccccc3)nnc2-c2cccs2)cc1 2330532584 NRZQOFGCJMGTQP-UHFFFAOYSA-N 447.589 5.182 30 10 IKEE Clc1cccc(Cl)c1C=Nn1c(SCc2ccccc2)nnc1-c1cccs1 2330583298 FQMZRWQZVNGTRA-UHFFFAOYSA-N 445.400 6.488 30 10 IKEE Clc1ccc(CSc2nnc(-c3cccs3)n2N=Cc2ccccn2)cc1Cl 2330604580 LJHQKCGQRPKYPJ-UHFFFAOYSA-N 446.388 5.883 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1OC 2330676035 AUYTZFYQJKIKKN-UHFFFAOYSA-N 444.571 7.401 30 10 IKEE CCCOc1cccc(C=Nn2c(CC(C)(C)C)nnc2SCc2cccc(C)c2)c1 2330821817 DJUJTLDHUPATJT-UHFFFAOYSA-N 436.625 6.138 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3ccccc3Cl)nnc2[C@H]2CCCO2)c1 2330967839 CQAFWYWJTIRQIR-HXUWFJFHSA-N 442.972 5.356 30 10 IKEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC(=O)c1cccs1 2331017223 JEAARCBWKQOJKL-UHFFFAOYSA-N 443.864 5.434 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCCC3)n2N=Cc2cccc(Cl)c2)c1 2331071664 DAODPNYKBAKJEJ-UHFFFAOYSA-N 425.001 6.380 30 10 IKEE Oc1ccc(Cl)cc1C=Nn1c(SCc2ccc(Cl)cc2)nnc1-c1ccco1 2331224337 OGPKDMIHVPHXLZ-UHFFFAOYSA-N 445.331 5.725 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2Cl)cc1 2331224343 QGYOYDUFUABZGK-UHFFFAOYSA-N 446.974 6.954 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)c3ccc4nc(C)c(C)nc4c3)cc2)ccc1F 2331332879 XZGLJWSBLXNBOV-UHFFFAOYSA-N 440.474 5.809 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2)cc1[N+](=O)[O-] 2331491610 VXNCWDALYKWONM-UHFFFAOYSA-N 445.471 5.842 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)Cc1ccc(F)cc1 2331510474 MRBXBJQZKOQJNR-UHFFFAOYSA-N 442.845 5.671 30 10 IKEE O=C(COc1cc(F)ccc1F)Oc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1 2331555257 VSGOSKZXTGLFOD-UHFFFAOYSA-N 430.353 5.124 30 10 IKEE COCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(Cl)cc1Cl 2331608560 HZHHFNHSDPOQKX-UHFFFAOYSA-N 441.771 5.559 30 10 IKEE CCCN(CCC)C(=O)CSc1nnc(C(C)C)n1N=Cc1cccc2ccccc12 2331706680 KDODTBGBNSARQA-UHFFFAOYSA-N 437.613 5.178 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(SCc2cccc(Cl)c2)nnc1C(C)C 2331708654 FXBPJHMSZAINPT-UHFFFAOYSA-N 428.989 6.017 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)[C@@H]3CCCO3)c(Br)c2)c(C)c1 2331769018 ITWWTKDLQXFTHI-NRFANRHFSA-N 443.337 5.355 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)COc3ccccc3)c([N+](=O)[O-])c2)c(C)c1 2331769741 LXUSRNUBFYHZIG-UHFFFAOYSA-N 445.471 5.401 30 10 IKEE C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H](C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339595766 DOQOEEQMCWXNJR-QZTJIDSGSA-N 446.397 5.044 30 10 IKEE N#Cc1cc(Br)cc(OCc2ccc(Cl)cc2I)c1 2340082525 OIKDSSGHEHWLIA-UHFFFAOYSA-N 448.485 5.158 30 10 IKEE CC[C@H](NC[C@H]1CCCCN1Cc1ccccc1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363837669 AZCCCUNICXFMTD-FTJBHMTQSA-N 448.460 5.081 30 10 IKEE O=C1C2=C(Nc3ccccc3S[C@H]2c2cc(Br)ccc2O)c2ccccc21 2425076 VFJMXKOFQDLUGL-QFIPXVFZSA-N 436.330 6.021 30 10 IKEE Cc1ccccc1/N=C1\S[C@H](CC(=O)c2ccc(F)cc2)C(=O)N1c1ccccc1C 15055235 SBARGWRCLBLHTH-YXTXPOHNSA-N 432.520 5.852 30 10 IKEE CC(C)(C)c1cc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)cc(C(C)(C)C)c1O 25329715 SHTIQAHDWAHCSU-OGLMXYFKSA-N 442.047 5.792 30 10 IKEE Cc1cccc(NC(=O)CCCSc2nc3c(c(C(F)(F)F)c2C#N)CCCC3)c1 27751015 MLCPCXMJQUUSIL-UHFFFAOYSA-N 433.499 5.670 30 10 IKEE CCCn1cc(CN/C(=N/C(=O)c2ccccc2F)Nc2ccc(Cl)cc2C)c(C)n1 32973118 CLMVHELQGKWBLF-UHFFFAOYSA-N 441.938 5.101 30 10 IKEE CCCCCCn1c(O)c(C(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)c(C)c(C#N)c1=O 38627025 SOQVXOOOVHQTLM-YOEHRIQHSA-N 425.356 5.088 30 10 IKEE CCOC(=O)C[C@@H](C1=C(O)CC(C)(C)CC1=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 38839415 KJYKFJAODMKXAD-OAHLLOKOSA-N 427.453 5.093 30 10 IKEE COc1ccc(/C=C2\S/C(=N/c3cccnc3Cl)N(C3CCCCC3)C2=O)cc1 39864100 VXQJOALAXQDZTI-ORONYANGSA-N 427.957 5.680 30 10 IKEE C=C(C)C(=O)NCCCCCc1nc2ccccc2n1CCOc1ccc([C@H](C)CC)cc1 40219790 FFOVTUASCVEXHL-JOCHJYFZSA-N 447.623 6.034 30 10 IKEE C/C(=N/Nc1nc(SCC(=O)Nc2cc(C)ccc2C)n[nH]1)c1ccc2ccccc2c1 59022331 DYVHNIQISLFADL-PKAZHMFMSA-N 444.564 5.142 30 10 IKEE CC(=O)/C(=N\Nc1ccccc1)Sc1nnc(Cc2ccccc2)n1Cc1ccccc1 59121591 PBNCRXHUOKXONP-ZZIIXHQDSA-N 441.560 5.024 30 10 IKEE C=CCn1c(SCc2ccccc2C(=O)NCc2ccco2)nnc1-c1ccc(C)cc1 96291023 HOWMDSPVNKBPEZ-UHFFFAOYSA-N 444.560 5.255 30 10 IKEE COc1cc(/C=C2/S/C(=N/c3cc(C)cc(C)c3)NC2=O)ccc1OCc1ccccc1 96585224 NLBJQHHYGLQKQU-BUVRLJJBSA-N 444.556 5.783 30 10 IKEE C/C=C/Oc1ccc(C(=O)/C(=C/c2cccc(OC)c2OC)c2nc3ccccc3o2)cc1 98037241 MZVIOITUYFESGZ-BVHJJCDMSA-N 441.483 6.181 30 10 IKEE CCCCCCCCCCn1c([C@@H](C)c2ccc3cc(OC)ccc3c2)nc2ccccc21 101041810 MTJAMPNEMMQDMN-QHCPKHFHSA-N 442.647 8.491 30 10 IKEE CCCCCCCCCCCCCCCCCCNC(=O)c1coc([C@@H]2CCCNC2)n1 102453005 LIHMYUUVPGRYRR-XMMPIXPASA-N 447.708 7.133 30 10 IKEE COc1cc(/C=N/Nc2ccc(Cl)cc2)cc([N+](=O)[O-])c1OCc1ccccc1C 169878791 OQUGWYKMZVZMEJ-ZMOGYAJESA-N 425.872 5.590 30 10 IKEE CCCOc1ccc(Cl)cc1[C@@H]1NC(=S)N(CCC)C(C)=C1C(=O)c1ccccc1 169928971 IPPLOLOVFDMSOV-QFIPXVFZSA-N 443.012 5.927 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccc(O)cc2)c1 169961230 NFAQDIPRBDMPLD-QFIPXVFZSA-N 449.890 5.227 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(OC(C)C)c2)cc1 169981527 QRNVBJWMZUJJFK-QHCPKHFHSA-N 435.520 5.003 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@H]2c2ccncc2)c1 170021519 OCEQPUGFLIUSPQ-QFIPXVFZSA-N 448.906 5.225 30 10 IKEE Cn1cc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccccc2)c2ccccc21 170083958 UDIUQZCQEWQJDF-HSZRJFAPSA-N 442.902 5.615 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cn(C)c3ccccc23)cc1 170085783 ULVIKEBPWWHZRJ-XMMPIXPASA-N 444.531 5.098 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccccc1C 170087671 MZRPEVSDDSENTO-DEOSSOPVSA-N 445.490 5.230 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccc(N(C)C)cc2)o1 170099877 JEGFBQWQGRYTPV-HSZRJFAPSA-N 430.504 5.054 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2sccc2C)c1 170108006 AGQDAGREYDYNBO-OAQYLSRUSA-N 435.520 5.591 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@H]1c1cccc(OC)c1 170120946 YAJLTDQFLIIDSZ-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1Cc1ccco1 170123440 WKQLHXUWYAWMKK-DEOSSOPVSA-N 439.467 5.220 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2cccs2)cc1C 170158007 KMQYXEHWASNSFD-DEOSSOPVSA-N 443.568 6.027 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1cccnc1)c1ccc2ccccc2c1 170189024 AYOGMTZSNVGDLF-HSZRJFAPSA-N 440.886 5.671 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2OC)[C@H]1c1cccc(OCC(C)C)c1 170219063 YRWRHICNRGNYOH-HSZRJFAPSA-N 437.536 5.027 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccccc2)cc1 170225881 BVUVMXZKIWSAPG-DEOSSOPVSA-N 427.500 5.485 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2)cc1C(C)C 170231348 ADIPTNRYRUJWSY-VWLOTQADSA-N 447.575 6.120 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccc(F)cc2)cc1C 170240317 BSLQXGIZQMBAHV-DEOSSOPVSA-N 445.490 5.624 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccccc1F)c1cccc2ccccc12 170251131 VSZHZRQCSNYHDQ-DEOSSOPVSA-N 438.458 5.152 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)CCO3)=C(O)C(=O)N1c1ccccc1C 170273242 QWDWNBSTLJMVMV-XMMPIXPASA-N 425.484 5.021 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccccc1C 170273770 ZADVVWBEWQUIPT-HYBUGGRVSA-N 447.575 5.358 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccco1 170286706 RXMHYZBAJRWSSC-JOCHJYFZSA-N 449.934 6.322 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2sccc2C)ccc1F 170312607 SIMWLGLVXUXAGD-GOSISDBHSA-N 427.522 5.344 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2sccc2C)cc1 170314933 OMISSCBNLLJZFK-NRFANRHFSA-N 433.529 5.628 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccc(OC(C)C)c2)cc1 170348125 QIIOXOJZOKFSSH-DEOSSOPVSA-N 443.499 5.265 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(Nc3ccccc3)cc2)c1 170460696 VYUQKXKCYURQCK-XMMPIXPASA-N 440.543 6.254 30 10 IKEE CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]3c3cccs3)sc2c1 170477357 GKVPEVWKNHVISB-QGZVFWFLSA-N 442.562 5.272 30 10 IKEE N#Cc1c(Nc2nnc(-c3cccs3)s2)oc(-c2ccccc2)c1-c1ccccc1 170542383 KDQXVYOOVWUQRQ-UHFFFAOYSA-N 426.526 6.809 30 10 IKEE Cc1nn(C(C)C)c(C)c1/C=N/Nc1nnc(SCc2ccc(C(C)(C)C)cc2)[nH]1 253576954 WMHXOJAUVJGOFG-FSJBWODESA-N 425.606 5.235 30 10 IKEE N#C[C@@H](CNc1ccc(Br)c(I)c1)C1CCCCC1 397389055 XOMRTGJKEZNMDX-LBPRGKRZSA-N 433.131 5.186 30 10 IKEE CCCOc1cccc([C@H]2C(c3ccc(OC)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)c1 526517632 VRSDAYOUNXUEJE-VWLOTQADSA-N 440.499 5.413 30 10 IKEE CCCOc1ccc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526606219 JLOLYCQUNGORLR-DEOSSOPVSA-N 444.918 6.058 30 10 IKEE CC(C)COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccs2)cc1 526606444 ZEXUBQLKBSLISY-QHCPKHFHSA-N 430.529 5.712 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1ccc(OC(C)C)c(OC)c1 526807983 LOBRJQUQKIEVPE-MYYYXRDXSA-N 438.597 5.509 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccc(C(C)(C)C)cc1 526811696 RFRBIPFWJHWHRF-MYYYXRDXSA-N 427.017 6.356 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccc(O)c(OC)c1 526812773 LCKYQESNXIAFKO-QRVIBDJDSA-N 430.961 5.163 30 10 IKEE C=C(Cl)C[C@@H](NCCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 710687764 IQDDUZGUZJMXIH-QZTJIDSGSA-N 445.829 5.396 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1scnc1Cl 713492186 LIQAWONRRAZUJK-LBPRGKRZSA-N 428.739 5.565 30 10 IKEE CC(C)(C)c1cc[n+](/C(C(=S)N[C@H]2C[C@H]3CC[C@H]2C3)=C(/O)c2ccc(C#N)cc2)cc1 762442283 ZMOIVPUHRNMILL-VCOUNFBDSA-O 432.613 5.133 30 10 IKEE CCCCCCCCC[C@H](NC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 822109699 AFRZJNYDQDOGEZ-IGKIAQTJSA-N 445.692 5.885 30 10 IKEE Cc1ccc(N=C2NC(=O)/C(=C\c3cc(Br)c(N4CCCC4)o3)S2)cc1C 1084236150 BJLUGQROZGLGAQ-GZTJUZNOSA-N 446.370 5.151 30 10 IKEE CCOC(=O)[C@@]1(C#N)C(=O)/C(=C/c2ccccc2Cl)SC1=Nc1ccccc1Cl 1088693678 TXAVTQDSSMPLNW-PFMFFRLSSA-N 445.327 5.453 30 10 IKEE Cc1cccc(C[C@@H]2SC(=Nc3ccc(C(=O)O)cc3)N(Cc3ccccc3)C2=O)c1 1772728070 JNNQQPGYDICDBD-QFIPXVFZSA-N 430.529 5.068 30 10 IKEE CN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=Nc1ccncc1Cl 1772733691 NZEXJASIGXVMLL-ONBPWHQPSA-N 440.868 5.137 30 10 IKEE O=C(O)c1ccc(/C=C2/SC(=Nc3cccnc3Cl)N(C3CCCCC3)C2=O)cc1 1772736394 XQAFLINRIMMFOV-RIHJCCTQSA-N 441.940 5.370 30 10 IKEE O=C1/C(=C/c2cccs2)SC(=Nc2nc(-c3ccccc3)cs2)N1c1ccccc1 1772739470 UFNGQDCODMTXLU-VASVRFFCSA-N 445.594 6.680 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@@H]2c2cccc(F)c2)c1 1862432159 XUKRZPPGSXJHCX-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccccc1Cl 1862432789 NAHWNGGXHWBUPR-YFZFPPMRSA-N 444.358 6.150 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(CC)cc1 1862458453 NPEPBEXEFCFECD-QFIPXVFZSA-N 445.481 5.825 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(F)cc1 1862544359 BJBMROCXZGEFBH-WSNNEZGNSA-N 447.550 5.862 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1cccc(Cl)c1 1862558548 ZDPWBTKZVWQFBM-IVZQSRNASA-N 432.907 5.262 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1c(F)cccc1Cl 1862561213 NPCWVOAJDLFDRZ-XMLVGPMBSA-N 442.918 5.218 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccccc1F 1862616234 PIKLSATZFLAROJ-JOCHJYFZSA-N 439.527 5.127 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(Cl)cc1Cl 1862624630 ZSAKJAFZVWCNGM-FQEVSTJZSA-N 446.374 6.278 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1ccc2cc[nH]c2c1 1862641661 YDQNWQYKRFXWDX-QFIPXVFZSA-N 436.483 5.084 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1ccc(OCC)cc1 1862642116 INFITYGINBVWTH-JOCHJYFZSA-N 441.499 5.002 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(CC)cc1 1862672531 CNIUJLXBCMFKTQ-XMMPIXPASA-N 437.555 6.327 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(N(C)C)cc1 1862679371 ZDCLKDHWQMHIMG-XORNHQRDSA-N 436.527 5.049 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2cccc(OC)c2)c1 1862702862 NXQAGSXCPQOAMM-DEOSSOPVSA-N 447.531 5.173 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(OC)c(O)c1 1862727777 LPESWPJAJPSFCE-XMMPIXPASA-N 443.499 5.056 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(Cl)c3Cl)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862897409 LSJBPMPIRDVHGU-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE COc1ccc(C2=C(Nc3ccc(C(C)C)cc3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862968180 AOBPZBDWUHGGIL-UHFFFAOYSA-N 437.499 5.087 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cccc(OC)c2)=C(c2ccc(C)cc2)C1=O 1863260932 NKGMGLKRDPSVIQ-UHFFFAOYSA-N 448.607 6.336 30 10 IKEE CCCCCCCCCCNC1=C(c2cccs2)C(=O)N(Cc2ccncc2)C1=O 1863798321 ONHUHARXXHAZAH-UHFFFAOYSA-N 425.598 5.154 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N(CCC)CCC(=O)OCC 1866342441 LSJQIJKAGUGBFI-UHFFFAOYSA-N 425.698 7.440 30 10 IKEE C=CCOc1ccccc1OCC(=O)N1CCc2c([nH]c3ccccc23)[C@@H]1C1CCCCC1 1868115009 DFYOSAXBSPUVSV-NDEPHWFRSA-N 444.575 5.818 30 10 IKEE CCCc1nc(Nc2ccccc2C#N)cc(N2CCC(Oc3ccc(Cl)cc3)CC2)n1 1868397457 AGRBYYDINCZOTO-UHFFFAOYSA-N 447.970 5.746 30 10 IKEE C=CCN(CC=C)c1cc(N2CCN(C(C)C)c3ccccc32)nc(Cc2ccccc2)n1 1869080090 VHGNPLVLNDNRAD-UHFFFAOYSA-N 439.607 5.612 30 10 IKEE N#Cc1nnn(-c2cc(Cl)cc(Cl)c2)c1NC(=O)c1ccc(-c2ccccc2)cc1 1870137352 IZUKQJJWKKFXHB-UHFFFAOYSA-N 434.286 5.365 30 10 IKEE N#Cc1nnn(-c2ccc(Cc3ccccc3)cc2)c1NC(=O)c1ccc(Cl)cc1Cl 1870147957 OIKOCZNEECPWCH-UHFFFAOYSA-N 448.313 5.289 30 10 IKEE CCCCC1CCC(C(=O)Nc2c(C#N)nnn2-c2cc(C(C)C)cc(C(C)C)c2)CC1 1870154492 VCPROJYPTIZMAK-UHFFFAOYSA-N 435.616 6.321 30 10 IKEE CCCCCCCOc1cn(CCc2ccc(F)cc2)c(CN(CC)CCCC)cc1=O 1870413172 UOMPMWIRYCJXGJ-UHFFFAOYSA-N 444.635 6.201 30 10 IKEE C=CCn1cc(OCCOc2ccc(C(C)(C)C)cc2)c(=O)cc1CN(CC)CCCC 1870592942 ZLLQQGSFSZJZJE-UHFFFAOYSA-N 440.628 5.412 30 10 IKEE CCCCCCCCn1cc(OCCOc2ccc(C)cc2)c(=O)cc1CN1CCCC1 1870775032 MBSRVDUSUDJQMK-UHFFFAOYSA-N 440.628 5.571 30 10 IKEE CCCCCCCOc1cn(Cc2ccco2)c(CNc2ccc(C(C)C)cc2)cc1=O 1870836641 OHCNVVDWIXYDMA-UHFFFAOYSA-N 436.596 6.574 30 10 IKEE CCCCCCCOc1cn(CCCCC)c(CNc2ccc(CCCC)cc2)cc1=O 1870837820 ZVNDUZBCEKGYAW-UHFFFAOYSA-N 440.672 7.342 30 10 IKEE C=CCn1cc(OCCCCOc2ccccc2C)c(=O)cc1CNc1cccc(OC)c1 1871228070 SQDSCKUFUCUKGS-UHFFFAOYSA-N 448.563 5.201 30 10 IKEE CCCCCCCCN=c1nc2c(cnn2C)c(Nc2ccc(Br)cc2)[nH]1 1871295178 JOFGDUDATVUDKO-UHFFFAOYSA-N 431.382 5.064 30 10 IKEE CCCCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(Cl)cc1Cl)C3=O 1871351994 LCDQKULJFRIDLS-NHDPSOOVSA-N 446.374 6.650 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc4c3CN(CCCCc3ccccc3)CO4)C2=O)cc1 1871353972 COKCIXWNCAMWMD-ONUIUJJFSA-N 425.528 5.786 30 10 IKEE COc1ccc([C@H](C)N2COc3cc(C)c4c(c3C2)O/C(=C\c2ccc(C)o2)C4=O)cc1 1871354304 MRZUNUDYRMUPCM-QWUOEIFBSA-N 431.488 5.434 30 10 IKEE COc1ccc([C@H](C)N2COc3c(cc4c(c3C)O/C(=C\c3ccco3)C4=O)C2)cc1OC 1871360099 ORDRQVOEHAOQBJ-GGNAWJQTSA-N 447.487 5.135 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4C)cc(C)c3C2=O)c1 1871373580 NMFYYYPZJCOUBE-UUYOSTAYSA-N 429.428 5.355 30 10 IKEE Cc1cc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2F)C3=O)ccc1[N+](=O)[O-] 1871373612 PIJBSLDDKJJYQL-MTJSOVHGSA-N 433.391 5.186 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OC(=O)/C=C/c4cccc([N+](=O)[O-])c4)c3C)C2=O)o1 1871377321 GBHQUKNPYHDKFS-RZJANAMFSA-N 431.400 5.040 30 10 IKEE O=C(CC(c1ccccc1)c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1ccccn1)C2=O 1871379116 MLZYEAXAEBUWHB-PKAZHMFMSA-N 447.490 5.825 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc2c(c1)O/C(=C\c1ccccc1OC(F)F)C2=O 1871380568 VPSHFZYKUBACPY-BKUYFWCQSA-N 428.431 5.780 30 10 IKEE CCCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 1871390543 BFPUBWFCUUPGKM-UCQKPKSFSA-N 446.430 5.367 30 10 IKEE CCCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871390590 DGEJYUHRQIONQR-UCQKPKSFSA-N 446.430 5.367 30 10 IKEE CC(C)N(Cc1ccccc1)Cc1c(O)ccc2c1O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 1871393786 KFIWICRXZTUWQB-OYKKKHCWSA-N 444.487 5.327 30 10 IKEE COC(=O)c1ccc(/C=C2\Oc3c(ccc(OCCCc4ccccc4)c3C)C2=O)cc1 1871399982 YYODDUMGWFIBQA-ULJHMMPZSA-N 428.484 5.409 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cccc(F)c1)[C@@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1871989146 PNLLRAAORQFVRJ-FDDCHVKYSA-N 446.588 5.063 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(Cl)c(C)c1)[C@H](C)CC)S(=O)(=O)c1ccccc1 1872316219 WXOVRUSTKHQIAK-VGSWGCGISA-N 449.016 5.269 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)c1ccccc1)S(C)(=O)=O 1872339220 QZNBQQNTIXCGKK-DEOSSOPVSA-N 442.625 5.451 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(OC)cc3OC)n2)cc1 1872762123 DOLHWLAOFHGJIZ-OAQYLSRUSA-N 434.561 5.589 30 10 IKEE N#C[C@H](C(=O)c1ccc(-c2ccccc2)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872763787 VBGZSLLCOFFGOX-OAQYLSRUSA-N 425.469 5.875 30 10 IKEE COc1ccc(OC)c(-c2csc([C@@H](C#N)C(=O)CCc3ccc(Cl)cc3)n2)c1 1872770750 DDGZFUALMJQFJM-SFHVURJKSA-N 426.925 5.290 30 10 IKEE COc1ccccc1CC(=O)[C@H](C#N)c1nc(-c2cc(C(C)(C)C)ccc2OC)cs1 1872776983 CTFXMXJAOCANKT-IBGZPJMESA-N 434.561 5.544 30 10 IKEE CCOc1ccc(CC(=O)[C@H](C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1 1872779862 SYNBGSQDVMHRJY-QFIPXVFZSA-N 448.588 6.068 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@H](C#N)C(=O)Cc3ccccc3OC)n2)c1 1872780912 NGJOCIHHJWJNRP-LJQANCHMSA-N 436.533 5.035 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(CC)cc2)=C(c2c(C)cc(C)cc2C)C1=O 1873331630 UNVLXSZKZNVJRB-UHFFFAOYSA-N 446.635 6.727 30 10 IKEE C=CCn1c(C(=O)NCCCCCCCC)cc2c(N3C[C@H](C)C[C@@H](C)C3)ncnc21 1873593829 IJZIVIDQJFVBNG-WOJBJXKFSA-N 425.621 5.190 30 10 IKEE C=CCn1c(C(=O)NCCCCCCCCCC)cc2c(N3CCC[C@H](C)C3)ncnc21 1873595286 WMLAOKOECSSSCD-NRFANRHFSA-N 439.648 5.724 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccccc1C 1874214261 DEJFHBBNLILHRK-LFVJCYFKSA-N 426.973 5.412 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1cccc2ccccc12 1874230826 DSXZJMUJTXWNNI-CVKSISIWSA-N 448.979 6.132 30 10 IKEE CCCOc1ccccc1/C=N/n1c(COc2cc(F)ccc2F)nnc1SCCC 1874261237 NZRYIYFQVRVWGY-AFUMVMLFSA-N 446.523 5.308 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OCC)cc2)n1/N=C/c1ccccc1Cl 1874303844 UNJYSSXHFKYRRP-ZVHZXABRSA-N 426.973 5.471 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1ccc(OCCCC)cc1 1874358428 HKRMZPNNAVGUFN-WPWMEQJKSA-N 448.636 6.215 30 10 IKEE COc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2cccc(C)c2)cc1 1874398840 QJPYKFDAVNVDOC-OVVQPSECSA-N 442.588 5.555 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccccn1 1874399496 QWQZQFHEPZZGJM-AEIQVQRHSA-N 433.968 5.653 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2ccc(C)cc2)nnc1-c1ccccc1 1874425524 NETXJPHKTUMKPY-OVVQPSECSA-N 440.572 5.993 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccccc1F 1874439316 VSSFEUONGLQCCT-YDZHTSKRSA-N 427.505 5.089 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2[C@@H]2CCCO2)cc1 1874448883 NYVUARJIBBTOQM-RIDKEVFESA-N 449.363 5.317 30 10 IKEE Clc1ccc(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2ccccn2)c(Cl)c1 1874451031 QFSHFLJNZIVYMM-HPMPDSITSA-N 434.352 5.006 30 10 IKEE CCSc1nnc(-c2ccco2)n1/N=C/c1ccc(N(CC)Cc2ccccc2)cc1 1874465244 ZDPRWPMIXXWUNS-KOEQRZSOSA-N 431.565 5.559 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1c(OC)ccc2ccccc12 1874476530 ORNYYYTZLZBYKQ-JVWAILMASA-N 448.567 6.096 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc(Cl)cc1Cl 1874527554 UJLDOKWMLSXKEM-LSHDLFTRSA-N 425.772 5.975 30 10 IKEE CCOc1cc(/C=N/n2c(S)nnc2-c2ccccc2)ccc1OCc1ccccc1C 1874558930 IZTUICXWEWSGHS-WGOQTCKBSA-N 444.560 5.402 30 10 IKEE COc1cc(/C=N/n2c(S)nnc2[C@@H](C)c2ccccc2)ccc1OCc1ccccc1 1874561348 NYDBGRIJZVFDIL-PMFZIYJTSA-N 444.560 5.188 30 10 IKEE Cc1cccc(OCCCc2nnc(S)n2/N=C/c2cccc(Oc3ccccc3)c2)c1 1874567383 UTZXWEKLPGROCN-NLRVBDNBSA-N 444.560 5.561 30 10 IKEE C=CCOc1c(Br)cc(Br)cc1/C=C/C(=O)c1ccc(C)cc1 1874579363 KEISHFSWRKYSRY-CMDGGOBGSA-N 436.143 5.981 30 10 IKEE C=CCOc1ccc(Br)cc1/C=C/C(=O)c1ccc(Oc2ccccc2)cc1 1874585044 JYQPVDXCVUKXHU-GXDHUFHOSA-N 435.317 6.702 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2cccc(F)c2)c(OC)c1 1874588002 PAKJWDNZEPXGRD-UXBLZVDNSA-N 426.871 5.971 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OCC(=O)Nc1ccccc1F 1874596023 KMQPHRFQCDPUDA-ZRDIBKRKSA-N 433.479 5.365 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OCC(=O)Nc1ccc(C)cc1C 1874596388 NETUPBMKKONXPA-XYOKQWHBSA-N 443.543 5.842 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)c(Br)c1OC 1874599888 JKWPPKWQYQWHMM-GQCTYLIASA-N 446.124 5.678 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1cccc(C)c1 1874602348 HGWSRCOEYMFZCL-OUKQBFOZSA-N 443.499 6.115 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1C 1874610969 VBGQNXDLYIMOMP-OVCLIPMQSA-N 430.460 5.125 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cc4ccccc4n3C)c2)cc1 1874696794 MCVAFTMWGXUGGB-RIYZIHGNSA-N 441.483 5.311 30 10 IKEE CCOc1ccc(CC(=O)Oc2cc(/C=C/C(=O)c3ccccc3OC)ccc2OC)cc1 1874698474 YLXRUVJQTJTTGC-RVDMUPIBSA-N 446.499 5.147 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1OC(=O)[C@@H](C)c1ccccc1 1874706476 KACISFRUNWJHRI-MZEUMTGBSA-N 444.483 5.072 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC(=O)C(F)(F)F 1874710658 GZQWDJAMVPXRTN-SOFGYWHQSA-N 436.426 5.499 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(Cl)s2)CSc2nnc(CC)n21 1874842057 SSQDIXZLNZAADD-AWEZNQCLSA-N 427.039 5.618 30 10 IKEE Cc1ccccc1CCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1 1875080530 MMWHPLOQYVFIMX-FYJGNVAPSA-N 446.546 7.096 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)Cc3ccccc3)c(OC)c2)cc1 1875100125 PCESDQHOEZOEER-NTCAYCPXSA-N 430.500 5.310 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@H]2CCCO2)c(Cl)c1)c1ccc(Cl)cc1Cl 1875104790 OARDWXIRERQAQD-SXQCNTSWSA-N 425.695 5.627 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)C3CCC3)c(Br)c2)cc1C 1875108318 JGSKVGCCPTYLMP-RMKNXTFCSA-N 429.310 5.368 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2Cl)c1 1875116910 YWZWEYCJKBVEHC-VZUCSPMQSA-N 449.890 5.909 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OCC)cc2)cc(OC)c1OC(=O)c1ccccn1 1875130156 ALYZKXJJIKCMSN-XNTDXEJSSA-N 443.499 5.333 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1ccc(F)cc1F 1875133342 PZQLWXMLMIEYKM-IZZDOVSWSA-N 438.426 5.406 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)CCCSC 1875136144 ZOECQPNSEPWVQZ-FMIVXFBMSA-N 432.969 5.992 30 10 IKEE Cc1ccsc1C(=O)Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1[N+](=O)[O-] 1875155147 ONUNSTCKMRQDAF-PKNBQFBNSA-N 443.480 6.233 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc([N+](=O)[O-])c1OC(=O)C1CCCC1 1875163984 NCDJNGUQAAYHFI-JXMROGBWSA-N 445.418 5.263 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2ccc(OC(=O)c3cccc(F)c3)cc2)cc1Cl 1875173648 SBCPHTSFIPVVFC-DHZHZOJOSA-N 440.854 5.612 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)cc2OC)cc1[N+](=O)[O-] 1875176195 AVAYODCVHSDDNR-UKTHLTGXSA-N 441.480 5.384 30 10 IKEE CCN(CC)c1cccc(OCC#CCNC(=O)c2ccc(-c3ccc(F)cc3)cc2)c1 1891695189 XQPUXSFJNALNOA-UHFFFAOYSA-N 430.523 5.151 30 10 IKEE C=C([C@@H](NCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1)[Si](C)(C)C 1923038088 BJTAETOKJMJSCU-QGZVFWFLSA-N 427.459 5.880 30 10 IKEE Cc1nn(Cc2ccccc2)c(Cl)c1C=NN(Cc1ccccc1)Cc1ccccc1 1923404513 DLBFIJHZZUVLEX-UHFFFAOYSA-N 428.967 5.930 30 10 IKEE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1930347760 FYYUJTIJDZKSQH-NBGIEHNGSA-N 443.588 5.353 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1sc(NC(=O)OC(C)(C)C)nc1C 1986918428 VWCSTHNFCGHRGY-IBGZPJMESA-N 431.602 5.612 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(C(=O)OC(C)(C)C)CC2(C)C)cc1 1996502364 CGFQRBSQZZVSGX-XMMPIXPASA-N 429.561 5.276 30 10 IKEE CC#CCCC[C@@H](NCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2018320843 NARKQUHCMKJWLQ-BVAGGSTKSA-N 428.617 5.002 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(Cc3ccccc3)C(C)(C)C2)c1 2037384401 VSOUDFIVWJQYRB-AREMUKBSSA-N 435.568 5.384 30 10 IKEE C=CCn1c2ccccc2n2nc(C)c(C(=O)C=Cc3cc4c(cc3OCC)C[C@H](C)O4)c12 2040488281 NQHLJROAYVULNT-KRWDZBQOSA-N 441.531 5.402 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1C(C)(C)[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2055761811 BTDICYBTJOTXCL-WYEJZRMESA-N 441.572 5.356 30 10 IKEE 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)c1ccccc1)C2 2070482064 DPDDKWRQCCKCKN-LYXWCMDISA-N 445.535 5.200 30 10 IKEE CCc1nn([C@@H](c2ccc(C(F)(F)F)c(F)c2)C2(C)CC2)c(Br)c1C#N 2079951736 XGWOHXDIVACMDX-HNNXBMFYSA-N 430.243 5.627 30 10 IKEE C#CCN(C[C@H](NCCC)c1cccc(Br)c1Cl)C(=O)OC(C)(C)C 2081393299 WLDMCLBSIVZWKJ-INIZCTEOSA-N 429.786 5.014 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCCC[C@@]12CCNC2 2156247144 IGRLECVJHVFESM-SFTDATJTSA-N 434.378 5.007 30 10 IKEE CC(C)(C)OC(=O)N1Cc2ccc(CNc3cccc(Br)c3C#N)cc2C1 2162415429 PJBXCBSKQWFZRW-UHFFFAOYSA-N 428.330 5.184 30 10 IKEE CC(C)(C)OC(=O)N1CCc2cccc(Nc3ccc(Br)cc3C#N)c2C1 2162418149 NGTRZVKBZHRSIK-UHFFFAOYSA-N 428.330 5.358 30 10 IKEE CO[C@]1(C)C[C@H]2C[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2185280949 BCYKYHBRSFRDEJ-REABXYAWSA-N 435.362 5.288 30 10 IKEE C=C(c1ccccc1)[C@H](NCC)c1ccc(I)c(Br)c1 2197139782 MFOTWUYYENMOHK-KRWDZBQOSA-N 442.138 5.418 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1sc(C)c(Br)c1C 2218938731 QPTARSKUKYUBII-GDBMZVCRSA-N 431.440 5.638 30 10 IKEE C=CCCCCCCC[C@@H](O)c1cc(Br)ccc1I 2227284554 RJNNGPSWJIKILT-MRXNPFEDSA-N 437.159 6.004 30 10 IKEE C=CCCCCCCC[C@H](N)[C@@H](O)c1scc(Br)c1Br 2235531693 BVYXOFNTUZUJQU-GXTWGEPZSA-N 425.230 5.551 30 10 IKEE CN[C@H](C#Cc1cccc(Cl)c1)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2239569239 OUPRTFZJYONPCM-GOSISDBHSA-N 449.776 5.762 30 10 IKEE CC[C@@H](C)N(Cc1ccccc1)C(=O)c1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2247779493 USYMVDDEEHPVHR-QGZVFWFLSA-N 427.781 5.080 30 10 IKEE C=C(C)CCCC[C@H](N)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2271755844 OIORBSYYWWACSP-OALUTQOASA-N 425.411 5.349 30 10 IKEE C[C@@](O)(c1cc(Br)c(Br)s1)C1(C#N)C[C@@H]2CC[C@H](C1)S2 2281196481 ZFCXOFBTABDTEC-JOOHILKBSA-N 437.222 5.049 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)[C@]2(C#N)Nc1cccc(Br)c1 2285814955 PCTICRBKUZXSCX-LEBLXSNJSA-N 434.378 5.227 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)cc(C(C)(C)C)c1 2288652744 QKUWAVHAVYDJPX-RBUKOAKNSA-N 439.438 5.867 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(O)cc2)cc1COc1ccccc1C1CCCCC1 2294623815 YLLNITIABQGAHU-UHFFFAOYSA-N 442.555 6.924 30 10 IKEE CCN1C(=O)C(=C2Sc3ccc(OC)cc3N2CC)SC1=N[C@H](C)c1ccccc1 2295213206 WHBAUJFADSQSAI-OAHLLOKOSA-N 439.606 5.509 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C 2296269528 PISPXZMEFAHLST-MOPGFXCFSA-N 437.422 5.108 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@H](C(C)C)N(C)C(=O)OC(C)(C)C 2296289202 PCXNJZKNCUPUHR-PMACEKPBSA-N 437.422 5.060 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)C[C@@H]2CCCC[C@@H]21 2313242020 LWNMPTVQHXAWAF-QRXMYIDTSA-N 442.644 5.601 30 10 IKEE C=C(C)CCCC[S@@](=N)(=O)c1cc(I)ccc1Br 2316463229 ZNXDZWNNUAGDJF-GOSISDBHSA-N 442.160 5.206 30 10 IKEE CC(C)c1nnc(SCc2c(F)cccc2Cl)n1N=Cc1cc2ccccc2n1C 2321842152 FOURBJTXWLVZJO-UHFFFAOYSA-N 441.963 5.860 30 10 IKEE O=C1C(=Cc2c(F)cccc2Cl)Oc2c1ccc1c2CN(Cc2cccs2)CO1 2321965117 FMGTZZLRKFSBEU-UHFFFAOYSA-N 427.884 5.509 30 10 IKEE CCN(CC)CCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(C(C)C)cc1)C3=O 2322115111 QCMBPOWGWAGQBI-UHFFFAOYSA-N 448.607 5.618 30 10 IKEE COC(=O)c1ccc(COc2ccccc2C=CC(=O)c2ccc(Cl)c(Cl)c2)o1 2322580323 HXLHQIPZANAFFF-UHFFFAOYSA-N 431.271 5.848 30 10 IKEE Cc1c(OC(=O)Cc2ccc(Cl)cc2)ccc2c1OC(=Cc1ccc(Cl)cc1)C2=O 2322900947 GAPMWHUDFGNSDU-UHFFFAOYSA-N 439.294 6.066 30 10 IKEE CCc1ccc(NC(=O)COc2cc(C=CC(=O)c3ccc(CC)cc3)ccc2OC)cc1 2323063351 IHNQMAKFNZDHCY-UHFFFAOYSA-N 443.543 5.734 30 10 IKEE Cc1ccc(CCC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1 2323081316 OWILQFWIRDACIV-UHFFFAOYSA-N 432.903 6.111 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OCc3ccc(C(=O)OCC)o3)c2)cc1 2323157739 IMUQYBBCNHNAJQ-UHFFFAOYSA-N 434.488 5.720 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc1OCc1ccc(F)cc1 2323231808 PYCPMCIMTCXHEB-UHFFFAOYSA-N 448.534 6.750 30 10 IKEE CCOc1ccc(CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1 2323371060 VCMFLURBKYSLTD-UHFFFAOYSA-N 432.447 5.297 30 10 IKEE C=CCOc1c(Br)cc(C=CC(=O)c2ccc3ccccc3c2)cc1OCC 2323404375 COLHNIKFZROEAL-UHFFFAOYSA-N 437.333 6.462 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(Cl)c1OCc1ccccc1 2323417275 RQJTVPZVOHNXHB-UHFFFAOYSA-N 432.947 6.703 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OC(=O)c4cccc5ccccc45)c3C)C2=O)cc1 2323476559 USIVAEKYBCEHOM-UHFFFAOYSA-N 436.463 5.992 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1)c1ccccc1Cl 2323606986 XGHRSVCJIQJNLK-UHFFFAOYSA-N 438.823 5.632 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2)C3=O)c(OCC)c1 2323783276 GBHSWSAAZCIHCC-UHFFFAOYSA-N 430.456 5.319 30 10 IKEE COc1ccccc1C=C1Oc2cc(OC(=O)c3cccc(OC(C)C)c3)cc(C)c2C1=O 2323808853 IUVSPSHYNHHNPD-UHFFFAOYSA-N 444.483 5.626 30 10 IKEE CCOc1cc(C=NNC(=S)NCc2ccccc2)ccc1OCc1cc(C)ccc1C 2323840365 SARCXKISIOBBFD-UHFFFAOYSA-N 447.604 5.279 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1 2324059250 JYNVMJXMICUSLU-UHFFFAOYSA-N 447.962 6.551 30 10 IKEE CC1CCN(Cc2c(O)ccc3c2OC(=Cc2ccc(Br)cc2)C3=O)CC1 2324151802 KIMKYQOYIKPKLO-UHFFFAOYSA-N 428.326 5.003 30 10 IKEE CCOc1ccccc1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccccc1)C2=O 2324325247 LSQQRWNGOPZAET-SFHVURJKSA-N 443.499 5.416 30 10 IKEE CCCCCOC(=O)COc1ccc2c(c1C)OC(=Cc1cn(CC)c3ccccc13)C2=O 2325044769 MUQRIEHSBLBTQD-UHFFFAOYSA-N 447.531 5.698 30 10 IKEE Cc1c(OCc2cccc3ccccc23)ccc2c1OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2325272743 RHHCRKCFQYEYQN-UHFFFAOYSA-N 437.451 6.252 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(OCC)cc1 2325541037 MBZANPNNGXVHTB-UHFFFAOYSA-N 446.979 5.986 30 10 IKEE CC(C)c1cccc(C(C)C)c1NC(=O)COc1ccc2c(c1)OC(=Cc1ccco1)C2=O 2325712388 HARGAQREDGZOOM-UHFFFAOYSA-N 445.515 6.160 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1ccccc1OC 2325909886 VYQCYWJVCAPJBV-UHFFFAOYSA-N 449.363 5.333 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(OC(C)C)cc1 2326272563 AQXUQFOCCBKKEP-UHFFFAOYSA-N 426.561 5.722 30 10 IKEE CCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1cccc([N+](=O)[O-])c1 2326589338 HYSWPWBYMMHRCC-UHFFFAOYSA-N 431.521 5.119 30 10 IKEE Cc1ccccc1CSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccco1 2327512985 GTDMICHYOTUTSW-UHFFFAOYSA-N 438.940 5.586 30 10 IKEE C=CCN(CC=C)C(=O)CC1=C(C)C(=Cc2ccc([S@@](C)=O)cc2)c2ccc(F)cc21 2328686082 ICKJCSYQUJCDCB-WJOKGBTCSA-N 435.564 5.482 30 10 IKEE Cc1ccccc1CSc1nnc(COc2cccc(C)c2C)n1N=Cc1cccs1 2328822698 ZNDXEJJVBFWPIY-UHFFFAOYSA-N 448.617 6.018 30 10 IKEE COc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2cccc(F)c2)cc1 2329288516 FWMHLAGOYMKMKI-UHFFFAOYSA-N 446.551 5.234 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3C)n2N=Cc2cccs2)c1 2329476667 LQYJYVLPXISUNJ-UHFFFAOYSA-N 432.618 5.916 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(F)c3)n2N=Cc2ccc(F)cc2)cc1 2329955519 NYLWRTOCYDBLJQ-UHFFFAOYSA-N 434.515 5.630 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(CC2CCCCC2)n1N=Cc1ccccn1 2330310225 RHEYXHZSECJGAM-UHFFFAOYSA-N 443.979 5.763 30 10 IKEE CN(C)c1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2)cc1 2330492407 RZSRFLFVWPJIBC-UHFFFAOYSA-N 427.577 5.109 30 10 IKEE Cc1cccc(CSc2nnc(-c3cccs3)n2N=Cc2c[nH]c3ccccc23)c1 2330549407 YURYMOSWFKAKIB-UHFFFAOYSA-N 429.574 5.971 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2-c2ccccc2)cc1OC 2330639886 QMQJELBWZBEKNZ-UHFFFAOYSA-N 448.523 5.276 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1 2330653745 BMABMGWGYUPJCT-UHFFFAOYSA-N 436.507 6.283 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(OC)c2)cc(OC)c1OC(=O)c1cccs1 2330798496 DQPJSUAUUJANSX-UHFFFAOYSA-N 434.513 5.609 30 10 IKEE CC(C)C(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1Br 2330808674 NDNASBIXIWOQKT-UHFFFAOYSA-N 442.136 6.213 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1C 2330855629 NFGDWFYIFDXZBP-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3F)c([N+](=O)[O-])c2)cc1C 2330865793 LQPINLJFLZPOLZ-UHFFFAOYSA-N 449.434 5.095 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2[C@H]2CCCO2)cc1 2330938936 WSYZCTZXKFGMGO-OAQYLSRUSA-N 438.572 5.741 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)[C@H](C)c1ccccc1 2331077969 ZTGGAFCVGYMNII-LJQANCHMSA-N 430.500 5.699 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1Br 2331123910 MRXNELFFEPKTFA-UHFFFAOYSA-N 449.772 6.874 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 2331281770 PRBCXUIBDXVMCU-UHFFFAOYSA-N 431.444 5.417 30 10 IKEE CCCCc1nnc(SCCc2ccccc2)n1N=Cc1ccc(Cl)c(Cl)c1 2331339226 PEFDSCKPLLHIGD-UHFFFAOYSA-N 433.408 6.145 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCO4)cc2)c1 2331434174 GDDFJLSGJGTBLD-UHFFFAOYSA-N 444.483 5.384 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc([N+](=O)[O-])c1OC(=O)CC 2331651954 JXAOKILPXRNJIY-UHFFFAOYSA-N 425.481 5.439 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc(Cl)c1OC(=O)C1CC1 2331666056 ZZXLOBQEMDJRCD-UHFFFAOYSA-N 428.912 5.576 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Cl)cc(Br)c1F 2337104887 RTTXASRDYADOOL-DOTOQJQBSA-N 449.792 5.752 30 10 IKEE CC1(C)C[C@@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CN(Cc2ccccc2)C1 2365060532 HVFFONBAMCKACS-WOOPDLCSSA-N 447.432 5.439 30 10 IKEE C=CCn1c(SCC(=O)OC2CCCCC2)nc2scc(-c3ccccc3)c2c1=O 9041679 XVCOYCBAPFLZIV-UHFFFAOYSA-N 440.590 5.279 30 10 IKEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c(Cl)cccc1Cl)N2 14546788 YINVJIVHPQUNSK-PDSXEYIOSA-N 435.376 5.284 30 10 IKEE N#CCCSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccc(F)c(Cl)c1 20969473 SBSNGFZZVVCUIY-UHFFFAOYSA-N 427.719 6.039 30 10 IKEE C/C(=N\Nc1nc(SCC(=O)N(c2ccccc2)c2ccccc2)n[nH]1)c1cccs1 21082984 LLRFFLDUKHSJEQ-LFVJCYFKSA-N 448.577 5.159 30 10 IKEE Cc1ccc(N/C(=N\C(=O)c2ccccc2Cl)NCCc2c[nH]c3ccccc23)c(C)c1 32943166 IVIIHUFQJGCCQU-UHFFFAOYSA-N 444.966 5.879 30 10 IKEE CCn1nc(C)c(CN/C(=N/C(=O)c2ccc(Cl)cc2)Nc2cc(C)ccc2C)c1C 32971556 AFDPAPKTDHBEDZ-UHFFFAOYSA-N 437.975 5.188 30 10 IKEE O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(-c2ccccc2)cc1 33409392 BXXIGSAQVWQYRB-ZCXUNETKSA-N 427.507 6.497 30 10 IKEE Cc1ccc(N2C(=O)/C(=C3\Sc4ccccc4N3C)S/C2=N\C2CCCCC2)cc1 33628856 ORCVMQIXEABWQC-UNGFZDNBSA-N 435.618 6.175 30 10 IKEE CC(C)[C@H](C)N(Cc1ccc(C#N)cc1)Cc1cccn1Cc1ccc(C(F)(F)F)cc1 35844680 SNMPSQJFZMZZTG-FQEVSTJZSA-N 439.525 6.474 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)c2c(C)c(C#N)c(=O)n(C3CCCCC3)c2O)cc(C)c1Cl 40522895 WLVBFPNHZZIDLU-INIZCTEOSA-N 442.943 5.160 30 10 IKEE CCCCCCCOc1ccc(C(=O)N(CCC(=O)OCC)Cc2ccccc2)cc1 60043216 LETYBZRPPLWFKZ-UHFFFAOYSA-N 425.569 5.631 30 10 IKEE CCCCCCCCCCCCN1C(=O)C2(OCCO2)c2ccc(Cl)c(Cl)c21 101327888 RZOSPEMBTNPLJP-UHFFFAOYSA-N 428.400 6.461 30 10 IKEE CCc1ccc(CN(Cc2cccnc2)C(=O)/C=C/c2cn(CCC#N)c3ccccc23)cc1 104790678 UAYZGADSGBXJPS-CCEZHUSRSA-N 448.570 5.755 30 10 IKEE Cc1cc(C)nc(N2Cc3ccccc3/C2=N/C(=O)c2cccc(Oc3ccccc3)c2)n1 105627534 QKYUVXJCJGRLBN-JVCXMKTPSA-N 434.499 5.493 30 10 IKEE COc1c2c(cc3c1[C@@H](CC(/C=C/[C@@H]1C(C)=CCCC1(C)C)=N\O)N(C)CC3)OCO2 138592523 SVSPODGIYWQUSW-GMDIAMGJSA-N 426.557 5.112 30 10 IKEE CCCCCCCCc1ccc(-c2ccc(OCCCCC[C@H](C)CC)c(F)c2)cc1 138935413 BMYUOFKZSJANKA-XMMPIXPASA-N 426.660 9.381 30 10 IKEE CCCCCCCCCOc1ccc([C@@H]2NC(=S)NC3=C2C(=O)CCC3)cc1Cl 169938984 XDQVEDJDIYRMDN-QFIPXVFZSA-N 435.033 5.995 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccc(O)cc2)cc1 169961271 ZVSPJSJKYAJODC-QFIPXVFZSA-N 433.891 5.391 30 10 IKEE CCCCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2ccccn2)cc1 169993619 AJPPDTGLGUCYTC-XMMPIXPASA-N 442.515 5.216 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccccc2)c1 170047642 FDVJNPZXNYZGGQ-XMMPIXPASA-N 443.499 5.185 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(F)cc2)cc1C 170062436 UTRVBQVCKPTUFK-JOCHJYFZSA-N 446.434 5.134 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccco1)c1ccc(F)cc1 170093936 GATMPSUMAMHFHQ-SFHVURJKSA-N 431.341 5.220 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1cccs1)c1cc2cc(Cl)ccc2o1 170159374 XZRKFAGOOZYZIZ-FQEVSTJZSA-N 435.888 5.931 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)c1 170159483 DGXKHVGFEHVEMZ-QFIPXVFZSA-N 433.529 5.628 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2)[C@H]1c1ccc(OCC(C)C)cc1 170167355 ALPNBVHSVNUPKU-HSZRJFAPSA-N 437.536 5.108 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(Cl)c3)[C@@H]2c2ccccc2)c1 170221392 UIOAQDRJHPOFNE-QFIPXVFZSA-N 449.890 5.140 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccccc1)c1cccc2ccccc12 170223088 UWTXCMPXOJBLJG-DEOSSOPVSA-N 441.433 5.901 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1C 170235281 CXXPHMWKNKCJSV-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1F)c1cccc(Cl)c1 170248178 GMHFLTMRXLXTMR-HXUWFJFHSA-N 425.818 5.401 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1Cc1cccs1 170269850 HQYRXYAEMYRDNF-DEOSSOPVSA-N 443.568 5.714 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(C)o2)cc1Cl 170298977 WXVVZZLLGHFALW-FQEVSTJZSA-N 441.842 5.172 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(C)o2)c1 170308112 MOANTBOZTQIOMX-NRFANRHFSA-N 443.927 5.551 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(C)o2)cc1Cl 170308188 KGZPTSOZXPLCRY-FQEVSTJZSA-N 429.900 5.161 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C2CCCCC2)o1 170308240 NUBQHDNXWMCROA-LJQANCHMSA-N 434.319 5.806 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1sccc1C 170314360 QPJWSIUCEQGFLM-OAQYLSRUSA-N 449.528 5.165 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2sccc2C)c1 170315120 IPASETRJERTCCH-NRFANRHFSA-N 449.528 5.165 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(OCC(C)C)cc2)c1 170344764 SJXUHRLUJGSUIN-DEOSSOPVSA-N 442.515 5.208 30 10 IKEE Cc1cc2sc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@H]3c3cccs3)nc2cc1Cl 170478535 HJVVARPOHJZMLE-MRXNPFEDSA-N 432.954 5.445 30 10 IKEE CCCCCCCc1ccc2c(c1O)C(=O)c1c(ccc(CCCCCCC)c1O)C2=O 206980055 DRPAZUNTZPUONO-UHFFFAOYSA-N 436.592 6.899 30 10 IKEE C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1C/C(=C/c1cccc(Br)c1)C2=O 252623207 OMJIZRMQBBHMOY-BCBYZYKNSA-N 441.453 7.444 30 10 IKEE N#Cc1c(N=Cc2cc(Br)ccc2O)oc(-c2ccccc2)c1-c1ccccc1 254478818 DGXDMOMSKOTVMF-UHFFFAOYSA-N 443.300 6.704 30 10 IKEE O=C1/C(=C\c2ccc(N3CCCC3)cc2)SC(=Nc2ccccc2)N1Cc1ccco1 254792108 SGHLRBWIKNDLHE-SUOSWRNOSA-N 429.545 5.684 30 10 IKEE O=S(=O)(c1ccc(N=Cc2cccc(OCc3ccccc3)c2)cc1)N1CCCCC1 257353566 RVWBLCUHWXTFSN-UHFFFAOYSA-N 434.561 5.191 30 10 IKEE Cc1c(I)cccc1Nc1cc(Br)c(C#N)cc1F 311459747 FQDKNCFAVPSOJN-UHFFFAOYSA-N 431.046 5.117 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2cccs2)[C@@H]1c1cccc(Cl)c1Cl 526606895 PSTRFDISJZZEGK-IBGZPJMESA-N 427.312 5.984 30 10 IKEE CC(C)c1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2cccc(F)c2)cc1 526825854 MICFWGOVQCYWIW-QRQIAZFYSA-N 444.579 6.306 30 10 IKEE C[C@H](c1ccccc1)N(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586143806 KCBNUZSQNCRGSF-HXUWFJFHSA-N 432.589 5.808 30 10 IKEE Cc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2cccc(C(F)(F)F)c2)cc1 586199270 GAUOAAMCZOFNMK-UHFFFAOYSA-N 430.451 5.281 30 10 IKEE C=CCN(CC=C)C(=O)Nc1ccc(C(=O)Nc2cccc(C(=O)OCCCC)c2)cc1 586664383 UBMWGRPDYYNTKM-UHFFFAOYSA-N 435.524 5.102 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2ccc(Cl)c(Br)c2)c1 698419707 PWAZYLMBSACFKV-SFHVURJKSA-N 435.749 6.417 30 10 IKEE C[C@H]1N(C(=O)OC(C)(C)C)CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698874061 MAKJKCMWGKLKCW-KOSHJBKYSA-N 435.609 5.628 30 10 IKEE CCCCCCCCCCC(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 702532280 PXBTZMWGNKADOP-QHCPKHFHSA-N 432.649 6.112 30 10 IKEE CC(=NNc1nc(SCCCc2ccccc2)n[nH]1)c1ccc(Br)cc1 1084108705 RISHXLDUDSPOLK-UHFFFAOYSA-N 430.375 5.128 30 10 IKEE N#Cc1c(N=Cc2ccc(Br)cc2)oc(-c2ccccc2)c1-c1ccccc1 1084519948 OHXNAQFPSSXJRY-UHFFFAOYSA-N 427.301 6.998 30 10 IKEE CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)O[C@@H](C#N)C=C(c1ccccc1)c1ccccc1 1088677687 FSFJZCNFYYQYLV-SYYKKAFVSA-N 426.343 6.145 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2)S/C(=N\N=C/c2ccccc2O)N1Cc1ccco1 1554646656 BGERQYADOWALHU-VFCAVQFPSA-N 437.908 5.145 30 10 IKEE C=CCN1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=Nc1cccc(C(=O)O)c1 1772733642 CKBFHZHZJCJEMO-BPHBXOPHSA-N 433.316 5.482 30 10 IKEE CC(C)(C)c1ccc(/C=C2\SC(=NN=Cc3cccnc3)N(Cc3ccco3)C2=O)cc1 1772757343 DCKIBDZCKKJLPD-KITBCUSZSA-N 444.560 5.479 30 10 IKEE COc1cccc(-c2nn(-c3ccccc3)cc2/C=N\NC(=S)Nc2cccc(F)c2)c1 1857811513 SRDDSAIJGJEJRD-YSMPRRRNSA-N 445.523 5.008 30 10 IKEE COc1c(Cl)ccc(Cl)c1-c1nc(C(=O)Nc2ccccc2C#N)c2ccccn12 1858341553 FQCBYBMSNUEPSN-UHFFFAOYSA-N 437.286 5.441 30 10 IKEE N#Cc1cccc(C(=O)Oc2cccc3c(NC(=O)c4cc5ccccc5[nH]4)cccc23)c1 1858931869 DZTMDNJWVWVZDV-UHFFFAOYSA-N 431.451 5.664 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(F)(F)F 1861156263 ZIELPMDANZNXRA-HXUWFJFHSA-N 439.522 5.014 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2F)cc1 1862391311 XOGSIXRXMMABPL-QHCPKHFHSA-N 433.479 5.540 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@@H]1c1cccc(F)c1)c1ccc(F)cc1F 1862413487 DYVKIZAOXLYRAF-OAQYLSRUSA-N 441.380 5.022 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1cccc([N+](=O)[O-])c1 1862419173 POCZCUUCWOADIG-FQEVSTJZSA-N 444.434 5.032 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@H]1c1ccc(O)cc1)c1cccc(Cl)c1 1862442484 JJLRCRJVNZLVRG-QFIPXVFZSA-N 437.923 5.514 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)cc1 1862446344 QCCGKVQSFROLHK-MMACOIQUSA-N 444.358 6.150 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 1862480225 AOIZPWVOIUKROX-XMMPIXPASA-N 440.543 5.466 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862480294 CMJFDYAAJUAWNU-HSZRJFAPSA-N 448.519 5.594 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccccc2C)c1 1862490438 VTIJTSBWPZWINO-RUZDIDTESA-N 429.560 6.081 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccccc1Br 1862496240 GEQVPWAAMHCUEV-FOIQADDNSA-N 442.353 5.443 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccccc2Br)c1 1862496317 HKMJKUHWRWXQCK-HXUWFJFHSA-N 442.353 5.300 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(OC)cc1 1862581574 KWGCDZNOUYDXKB-CWTRNNRKSA-N 434.319 5.379 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(OCCC)c1 1862585927 IAUKPEGMVWMTRG-HXUWFJFHSA-N 446.330 5.547 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(O)cc2)cc1 1862613926 SUFNAQKXGDZSNA-JOCHJYFZSA-N 447.556 5.530 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCc2cccs2)cc1 1862661643 XBEQZYCUJMTLRY-XMMPIXPASA-N 445.584 6.001 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1 1862713281 LLAVXUYGSCBSGJ-RSXGOPAZSA-N 441.571 6.777 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1ccc(C(F)(F)F)cc1)c1ccc2ccccc2c1 1862716188 AEFOCDQJTGRURF-NRFANRHFSA-N 437.417 5.599 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccccc1Cl 1862725483 JXSZTGMFPXESFB-QHCPKHFHSA-N 431.919 5.994 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862747648 UFSOHZOQNZWERT-SBUREZEXSA-N 442.471 5.243 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C(=O)N1CCC1=CCCCC1 1862747763 VGXRSDPEUKFSPG-QHCPKHFHSA-N 446.503 5.372 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccccc2Cl)C1=O 1863446911 KULGGLBMCQGEGM-MRXNPFEDSA-N 427.891 5.165 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCC(C)C)=C(c2ccc(OC)c(OC)c2)C1=O 1863520630 ZQMQCYFIQAUQMX-UHFFFAOYSA-N 444.616 5.170 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(C)cc2)C(=O)N(CCOC(C)C)C1=O 1863615854 BWMFKCIHOGRFMU-UHFFFAOYSA-N 428.617 5.230 30 10 IKEE C=CCN(CC=C)c1cc(N(CC)CCc2ccncc2)nc(-c2ccc(Cl)cc2)n1 1867981862 GRXZXGMKSCCRGX-UHFFFAOYSA-N 433.987 5.439 30 10 IKEE C=CCN(CC=C)c1cc(N(C)CC(C)(C)c2ccccc2)nc(-c2cccc(OC)c2)n1 1869310768 HAPUNXGDJYNEMV-UHFFFAOYSA-N 442.607 5.745 30 10 IKEE Cc1cc(-n2nnc(C#N)c2NC(=O)CCCOc2ccccc2C(C)C)ccc1Cl 1870157748 CABXVDMUHRYQPR-UHFFFAOYSA-N 437.931 5.022 30 10 IKEE C=CCOc1cn(CCC)c(CSc2nc3ccccc3n2-c2ccccc2)cc1=O 1870243744 HYKPPPZSIIWVIW-UHFFFAOYSA-N 431.561 5.454 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCCCCC)cn1Cc1ccc(Cl)cc1 1870675145 WOOAMIXLPDZAMY-UHFFFAOYSA-N 429.004 5.683 30 10 IKEE CCCCCCCCCCn1cc(OCC)c(=O)cc1CNc1cccc(NC(C)=O)c1 1870784982 IVLCVUQHSIDRTD-UHFFFAOYSA-N 441.616 5.958 30 10 IKEE C=CCOc1cn(CCCCN(CC)CC)c(CNc2ccc(Cl)cc2C)cc1=O 1870812323 BPXHBQITRWUUFM-UHFFFAOYSA-N 432.008 5.109 30 10 IKEE C=CCn1cc(OCCCCCCC)c(=O)cc1CNc1ccc(Cc2ccccc2)cc1 1870835749 HJNWHOOLHHYLJJ-UHFFFAOYSA-N 444.619 6.586 30 10 IKEE Cc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCc2ccc(Cl)cc2)C4)o1 1871344383 GLNCRUNVIIEGPK-UUYOSTAYSA-N 435.907 5.561 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OC(=O)/C=C/c4ccc(C)cc4)c3C)C2=O)c1 1871366951 QNVJPCWVIKPQKF-VVTYEFPJSA-N 426.468 5.547 30 10 IKEE Cc1c(OC(=O)c2ccc(F)c(F)c2F)ccc2c1O/C(=C\c1ccc(Cl)cc1)C2=O 1871370515 PMMYREPEINESOH-ZDLGFXPLSA-N 444.792 5.901 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4cccc(OCC(C)C)c4)ccc3C2=O)cc1 1871379841 YIWXGGRAIZGOQE-MXAYSNPKSA-N 444.483 5.565 30 10 IKEE CCCCN(CC)Cc1c(O)cc(C)c2c1O/C(=C\c1cn(CC)c3ccccc13)C2=O 1871395743 IFTIIARZFRKHBJ-IWIPYMOSSA-N 432.564 5.913 30 10 IKEE Cc1cccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c1C 1872759285 JPDBZIRDFJBERR-QHCPKHFHSA-N 438.552 6.349 30 10 IKEE COc1cccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)c1 1872762851 XZLWTTHWLDPAJZ-LRDDRELGSA-N 447.343 5.769 30 10 IKEE Cc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1C 1872765256 KXQQQPHLEWGQGX-SFHVURJKSA-N 425.351 5.608 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)Cc3cccs3)n2)cc1OCCC 1872767188 PEZGRUKMHVPXIG-GOSISDBHSA-N 440.590 5.868 30 10 IKEE N#Cc1ccccc1NC(=O)c1ccc(CN(Cc2ccccc2)Cc2ccccc2)cc1 1872885137 LUBAHEJIKKVKRR-UHFFFAOYSA-N 431.539 6.013 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCCCC)=C(c2ccccc2OC)C1=O 1873153408 ZRXPEMQBZGBHJU-UHFFFAOYSA-N 442.644 6.086 30 10 IKEE CCC(CC)c1nnc(S)n1/N=C/c1ccc(OC)c(OCc2ccc(Cl)cc2)c1 1873502337 HJEQGKKWMWKPFA-ZMOGYAJESA-N 444.988 5.594 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(OCCCCCC)cc2)cc2c(NCCCC)ncnc21 1873604350 WARLSOWLYYMSNW-UHFFFAOYSA-N 449.599 6.041 30 10 IKEE CCCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1/N=C/c1ccco1 1874196388 HMCSKNHHQQCONX-OEAKJJBVSA-N 428.558 5.141 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1cccnc1 1874197306 DDQADFJOIMKHHT-WPWMEQJKSA-N 443.576 5.388 30 10 IKEE CSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1cccc2ccccc12 1874203602 JZZCZCQVXSMJDB-WYMPLXKRSA-N 443.359 5.921 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1cccs1 1874224574 RRANVOWJZBIUKN-HZHRSRAPSA-N 426.611 5.464 30 10 IKEE CCCSc1nnc(COc2ccccc2OCC)n1/N=C/c1c(F)cccc1Cl 1874243191 RWSYZYCVXKQVGE-ZMOGYAJESA-N 448.951 5.433 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccncc1 1874268671 JWSFICAAXGTIQP-RDRPBHBLSA-N 449.583 5.900 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2F)cc1 1874349699 ZGAFDXZXDMCGPU-WGOQTCKBSA-N 432.524 5.191 30 10 IKEE C=CCSc1nnc(Cc2ccc(OC)cc2)n1/N=C/c1c(OC)ccc2ccccc12 1874351849 HTPXVCGBHBDKNW-YZSQISJMSA-N 444.560 5.200 30 10 IKEE C=C(C)CSc1nnc(COCc2ccccc2)n1/N=C/c1ccccc1OCCC 1874353661 VFRWFPRVDQOOQI-MFKUBSTISA-N 436.581 5.334 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2ccccc2C)nnc1-c1ccccc1Cl 1874364728 RQTPOKUFANPTAL-CVKSISIWSA-N 432.980 6.390 30 10 IKEE Oc1ccccc1/C=N/n1c(SCc2ccc(F)cc2)nnc1-c1ccccc1Cl 1874364893 ZXXQFJQSDGONSH-DHRITJCHSA-N 438.915 5.618 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2/N=C/c2ccccc2O)cc1 1874390592 VBYHCRZUICFRRF-CVKSISIWSA-N 448.979 5.711 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2cccc3ccccc23)n1/N=C/c1cccnc1 1874399171 ITACTONXZNOWRO-MJDZGMBVSA-N 449.583 6.153 30 10 IKEE COc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2C)cc1O 1874416519 UJXDBUCYTXDINY-WGOQTCKBSA-N 444.560 5.066 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2-c2ccccc2)c(O)c1 1874430439 IFHPUCIKZALSEN-ZMOGYAJESA-N 436.924 5.184 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc([C@H]2CCCO2)n1/N=C/c1ccccn1 1874449006 QAIGTBKCVZRFIK-TVSCDJBNSA-N 434.352 5.006 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2[C@@H]2CCCO2)c1 1874453792 SDAXECGHWYORTE-OGBFJMLUSA-N 447.391 5.919 30 10 IKEE COc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2c(F)cccc2Cl)cc1O 1874491650 CFCGFLJWAKSVIL-BHGWPJFGSA-N 448.951 5.158 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2ccccc2C)c(C)c1 1874492625 WLSMWQADRSXGKB-AFUMVMLFSA-N 435.597 5.015 30 10 IKEE CCCOC(=O)COc1c(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(Cl)cc1OC 1874572107 WEUDMDUEQOVXLY-ZHACJKMWSA-N 442.939 5.456 30 10 IKEE O=C(/C=C/c1c(OCc2ccccc2Cl)ccc2ccccc12)c1ccccc1Cl 1874574960 NLVUAQAVYVBKFI-CCEZHUSRSA-N 433.334 7.622 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccccc1OCC(=O)N[C@H](C)c1ccccc1 1874585967 OTTPYUMPNRUZAE-IBUXMESJSA-N 443.543 5.464 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2Cl)o1 1874613182 HIQPYUKKYYPRAU-XCVCLJGOSA-N 445.298 6.238 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OCc1cccc(Cl)c1 1874615940 FDAZJNCNZYOTSP-DHZHZOJOSA-N 427.327 6.786 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OCc1ccc(Cl)cc1 1874616880 YDSUTCBYNIBPKN-XNTDXEJSSA-N 432.947 6.861 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(F)c3)cc2)cc1 1874625471 GWJHXMFIVOOPSK-XDHOZWIPSA-N 446.562 7.650 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OCC(=O)NCc3ccco3)c(Cl)c2)c(C)c1 1874633965 DSTVXFSOQDZMIF-SOFGYWHQSA-N 437.923 5.450 30 10 IKEE COc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c(C)c3C)c2)cc1 1874711735 HDSMTNASFXUALU-RIYZIHGNSA-N 446.499 5.201 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(C)cc2C)CSc2nnc(C3CC3)n21 1874849470 FHWGYWKYZQNKAH-OAQYLSRUSA-N 426.630 5.835 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(C)c3)c([N+](=O)[O-])c2)cc1OC 1875099146 YUKUOOPEDVGBDC-JXMROGBWSA-N 447.443 5.036 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc4c(c3)OCO4)c(Cl)c2)cc1 1875099834 BCHCCUXZVXGMIR-BJMVGYQFSA-N 434.875 5.746 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3Cl)c([N+](=O)[O-])c2)cc1 1875100938 NYNAIIRMQHAJQE-UKTHLTGXSA-N 435.863 5.926 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)cc2)c1 1875102946 SYMJNQKVSGPMFR-MBNXQSCSSA-N 432.903 5.954 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3sccc3C)c(Cl)c2)cc1C 1875107159 CXCSCZAVBSXKIQ-QPJJXVBHSA-N 426.921 6.142 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(Cl)cc2)c(Cl)c1)c1ccc(Cl)cc1 1875126286 ZEZAGUVYJQCYLG-QQDOKKFESA-N 431.702 6.762 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3F)c(Cl)c2)cc1 1875155356 DTDWVAHYPIOQPE-QDEBKDIKSA-N 440.873 6.857 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)Cc1ccc(F)cc1 1875157122 UOOSBXPSNQJVDE-VIZOYTHASA-N 446.518 6.392 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc(Cl)c1OC(=O)C1CCC1 1875166667 CPBAKUTVHOTOOT-PKNBQFBNSA-N 442.939 5.966 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)Cc1cccs1 1875170386 VDLMMKBLRIFQLD-PKNBQFBNSA-N 448.584 6.425 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC(C)C)c(Cl)c2)c(OCC)c1 1875177768 UORBKEQTJVOINF-YRNVUSSQSA-N 430.928 5.985 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccncc2)c(Cl)c1 1875184274 QWZROJJEEVNIPJ-RMKNXTFCSA-N 433.935 6.456 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc(OC)c1OC(=O)C(C)(C)C 1875185529 XKBGXRKAMNLJSW-FYWRMAATSA-N 448.603 6.877 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N(CCC)CCCC)n2CC(C)C 1875210972 VDGOPIGEMJOOHM-UHFFFAOYSA-N 443.680 6.512 30 10 IKEE C=CCN(CC=C)C(=O)c1cc2c(NCCCCCCCC)ncnc2n1CCCC 1875212830 NTIZDKZZRUJZLL-UHFFFAOYSA-N 425.621 5.818 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@]2(C#N)N(C(=O)OC(C)(C)C)c2ccccc2)C1 1918265603 WVJTVLRAODHEMK-JWQCQUIFSA-N 441.572 5.502 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](O)c1ccc(Br)cc1Cl 1922056760 ZKYUWKZGYVWIJE-NHCUHLMSSA-N 438.793 5.277 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1coc([C@H](C)NC(=O)OC(C)(C)C)n1 1922106265 BGSZRMCJBBFGHE-RXVVDRJESA-N 429.561 5.074 30 10 IKEE CC(C)(C)OC(=O)NCC(C)(C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1939079593 MJRGVAGRNIUEEY-QGZVFWFLSA-N 437.968 5.525 30 10 IKEE CC[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)CN1Cc1ccccc1 1942589118 HWKHDJKMSSVCJO-GJZUVCINSA-N 425.617 5.893 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C2(CC2)C1 2013250121 LZQZYMQPOHYTDV-XMMPIXPASA-N 433.593 5.240 30 10 IKEE CCCN[C@H](CC#C[Si](C)(C)C)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2014171789 USYSFYWNRNQLCX-WWNPGLIZSA-N 446.708 5.124 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)[C@H]1C1CC1 2014633896 PTCYXLZEVSQTTC-WZONZLPQSA-N 447.601 5.167 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)cc1 2032001777 XQQNNBYGPJXXTI-WYEJZRMESA-N 443.588 5.664 30 10 IKEE CCCCCCCCC[C@H](NCCC)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2034431037 DODWEJVQIPHRRJ-LOSJGSFVSA-N 448.692 6.605 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)Cc2ccc(Cl)cc2Br)C1 2062975191 ODONIOAVZNVDLD-UHFFFAOYSA-N 428.754 5.075 30 10 IKEE N#C[C@H](NC[C@H]1CCCO1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071261505 VTAPLYRONPBAEP-RPBOFIJWSA-N 428.532 5.178 30 10 IKEE C#CC[C@H](C)C[C@@H](NCCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2076099332 OYEZMBJZDAQIFH-LLGBQNBKSA-N 442.644 5.248 30 10 IKEE Cc1ccc([C@H](C(C)C)n2nc(C(C)C)c(/C=N/O)c2I)c(C)c1 2079024101 YNNITFZBIQQOGL-FWOHHPOZSA-N 439.341 5.281 30 10 IKEE CC[C@H](c1ccc(C2CC2)cc1)n1nc(C(F)F)c(/C=N/O)c1I 2079098624 FDPUQAIAHBBSFX-SCDDIDHTSA-N 445.251 5.110 30 10 IKEE COc1ccc([C@@H](C(C)C)n2nc(C(C)C)c(C#N)c2I)cc1C 2079946489 WNOLWRVFXCAIKS-GOSISDBHSA-N 437.325 5.045 30 10 IKEE Fc1ccc(-c2c(C(F)F)nn(C(F)(F)F)c2Br)c(C(F)(F)F)c1 2080794685 PKIVBULKQNOOFL-UHFFFAOYSA-N 427.064 5.884 30 10 IKEE C[C@H](N(CCOc1cccc(B2OC(C)(C)C(C)(C)O2)c1)Cc1ccccc1)C(C)(C)C 2095898064 MREORXBYGUNSNA-NRFANRHFSA-N 437.433 5.301 30 10 IKEE Cc1ccc(C[C@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)cc1 2159877128 AGEHPGXCHRTEEX-JOCHJYFZSA-N 429.358 6.024 30 10 IKEE C#CCCN(CC(C)C)C(=O)c1cc(NC(=O)OC(C)(C)C)c(C)cc1Br 2180073617 LABNMBJBSGMOMN-UHFFFAOYSA-N 437.378 5.226 30 10 IKEE C=CCCCCCCC[C@H](N)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2227274649 VOWRBGOHYVYYRN-IBGZPJMESA-N 425.411 6.713 30 10 IKEE C#CCCCC[C@@H](NCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237403922 AHDHDOSHEDBPJI-WOJBJXKFSA-N 437.422 5.057 30 10 IKEE COc1cccc(C#C[C@H](N)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)c1 2237743736 DYCBDANXEDVTNP-NDEPHWFRSA-N 449.550 5.905 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1sc(Br)c(C)c1C 2254707951 ZHUQCFRVXOGRTC-HUUCEWRRSA-N 431.440 5.638 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)C#Cc2ccccc2Cl)c1 2277852914 DJRHTHVIZITLRA-UHFFFAOYSA-N 434.717 5.684 30 10 IKEE C=CCN(CC[C@H](NCCC)c1ccc(C)c(Br)c1)C(=O)OC(C)(C)C 2278519275 SYNXHZGVYYFCGR-IBGZPJMESA-N 425.411 5.611 30 10 IKEE Cc1cc(NCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc(C)c1C#N 2280562685 IKOAZQXDSLFRKQ-UHFFFAOYSA-N 448.566 6.945 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(F)cc(Br)c1F 2288346512 KENIMVFQHLLKJV-WMZOPIPTSA-N 447.364 5.628 30 10 IKEE C[C@@H](c1ccc(NC(=O)OC(C)(C)C)cc1)[C@H](N)C#Cc1ccc(Br)cc1 2296311310 VSIWFAFCCKDIAH-MGPUTAFESA-N 429.358 5.279 30 10 IKEE CCCOc1ccc2ccccc2c1C=C1SC(=O)N(Cc2ccccc2C#N)C1=O 2297560396 GDUBPGLBPMQIEE-UHFFFAOYSA-N 428.513 5.737 30 10 IKEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)CCC(F)(F)C[C@H]1OCc1ccccc1 2305322840 PFWYJRRQGLNHQN-RDGATRHJSA-N 429.507 5.293 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3Br)cc2)cc1 2314429703 MPMVOMJMEDRPPO-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE COc1ccc2c(c1)OC(=Cc1ccc(OC(=O)c3ccc(Cl)cc3)c(OC)c1)C2=O 2314527157 HOTVXXIKYXRBFA-UHFFFAOYSA-N 436.847 5.193 30 10 IKEE COc1ccc(C=C2SC(=Nc3cccnc3Cl)N(C3CCCCC3)C2=O)cc1 2314540678 VXQJOALAXQDZTI-UHFFFAOYSA-N 427.957 5.680 30 10 IKEE Cc1csc(N=C2SC(=Cc3ccc4c(c3)OCO4)C(=O)N2C2CCCCC2)n1 2314543317 AROXGNFJPAURIG-UHFFFAOYSA-N 427.551 5.117 30 10 IKEE Cc1nnc(SCc2ccc(Br)cc2)n1N=Cc1cc2ccccc2n1C 2321759934 OPDBUVXXIJDUDY-UHFFFAOYSA-N 440.370 5.015 30 10 IKEE CCOc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(CCc1ccccc1)C3 2321937271 MFQIXEDWWJABLK-UHFFFAOYSA-N 441.527 5.405 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc3c2CN(Cc2ccccc2F)CO3)C1=O 2322054716 XIICTRMWBBAFHY-UHFFFAOYSA-N 431.463 5.193 30 10 IKEE COc1ccc(C=C2Oc3c(ccc4c3CN([C@@H]3CCCC[C@@H]3C)CO4)C2=O)c(OC)c1 2322145948 DYMFQPCQRZFFMV-HRAATJIYSA-N 435.520 5.051 30 10 IKEE CCCCCN1COc2c(cc3c(c2C)OC(=Cc2ccc(-c4ccccc4)cc2)C3=O)C1 2322347018 XIMOCXRRIKIHKS-UHFFFAOYSA-N 439.555 6.620 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCc2cccc(C)c2)cc1 2322398432 VMPGVHBKJYQVLI-UHFFFAOYSA-N 448.990 7.475 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccc(C)cc2C)cc1C 2322401787 SCVFCURSRLBZMG-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1OCc1cc(C)ccc1C 2323072485 PJTOVQCUVRCWJL-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2)c(Br)c1OCc1ccccc1F 2323127192 RTPSDIWFOCZMJB-UHFFFAOYSA-N 441.296 6.072 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)ccc1OCC(=O)Nc1ccccc1 2323481591 AIAIQDITWYONRQ-UHFFFAOYSA-N 429.516 5.561 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(OC)c1OCc1ccc(F)cc1 2323602922 VMXLQVZSVOOGTN-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)ccc1OCC(=O)Nc1nccs1 2323620248 OWTHAYHXTOKKFG-UHFFFAOYSA-N 442.924 5.109 30 10 IKEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1cccc(C)c1 2323674550 FPXDGTSLWWRARY-UHFFFAOYSA-N 437.879 6.040 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1Cl)Nc1nccs1 2323790347 SJZLYJDMQMIFIN-UHFFFAOYSA-N 433.316 5.364 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCc3ccc(C(=O)OC)o3)c(Cl)c2)cc1 2323831432 LPNJGGZHZLVFKJ-UHFFFAOYSA-N 440.879 5.593 30 10 IKEE Cc1ccc(-c2csc(NN=Cc3ccc(OCc4ccccc4)c(Cl)c3)n2)c(C)c1 2323840272 HMXHYOBWCMHPLP-UHFFFAOYSA-N 447.991 7.105 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)c1ccc2c(c1)OCCO2 2324035755 JFGHRTATENJNEH-UHFFFAOYSA-N 441.310 6.240 30 10 IKEE C=C(C)COc1c(Cl)cc(C=CC(=O)c2cc(Cl)c(OC)cc2OC)cc1OC 2324422000 VLMFIYVZVGHPQA-UHFFFAOYSA-N 437.319 5.870 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccc(C)o2)C3=O)cc1 2324492748 WHDCZPYVSDPCSE-KRWDZBQOSA-N 431.488 5.481 30 10 IKEE Cc1cccc(OCCOc2cc(C)c3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)c1 2324532282 MXDAEMYLTZIPIH-UHFFFAOYSA-N 431.444 5.286 30 10 IKEE CCCOc1c(Cl)cc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1OCC 2324599062 OBMGGNRLVAZAOJ-UHFFFAOYSA-N 443.754 6.739 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)N[C@@H](C)c4ccccc4)ccc3C2=O)cc1 2325019502 RXLQWMLTDJGRQA-SFHVURJKSA-N 427.500 5.121 30 10 IKEE C[C@H](Oc1ccc2c(c1)OC(=Cc1ccccc1)C2=O)C(=O)Nc1nc2ccccc2s1 2325417751 FESHUWZKXBCXQL-HNNXBMFYSA-N 442.496 5.319 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1OC(=O)c1ccc(C)c(C)c1 2325701226 UGJREEULFRAERU-UHFFFAOYSA-N 440.539 6.306 30 10 IKEE Cc1cccc(COc2cc(C)c3c(c2)OC(=Cc2ccc(-c4ccccc4)cc2)C3=O)c1 2325721094 KOVDVTJEWDBNPS-UHFFFAOYSA-N 432.519 7.166 30 10 IKEE CSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1ccc(F)cc1F 2325882636 YTUXTNKGJUQUPK-UHFFFAOYSA-N 438.503 5.325 30 10 IKEE CCOc1ccc(CCc2nnc(SCC)n2N=Cc2cccc(Cl)c2)cc1OC 2325890707 UCQCAEVXZPZQAM-UHFFFAOYSA-N 444.988 5.118 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1ccc(F)cc1F 2326331829 NLPIXMSKFMYJSO-UHFFFAOYSA-N 442.535 5.291 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2C)n1N=Cc1cccc(Cl)c1 2327117922 AACFQFDXHQHYEM-UHFFFAOYSA-N 428.989 5.636 30 10 IKEE CSc1nnc(COc2ccccc2Cl)n1N=Cc1ccc(Cl)cc1Cl 2327601386 LEPURSPAAWALKU-UHFFFAOYSA-N 427.744 5.421 30 10 IKEE CCSc1nnc(COc2c(C)cccc2C)n1N=Cc1ccc(C(F)(F)F)cc1 2328553886 CPJWVUUOHMEIPI-UHFFFAOYSA-N 434.487 5.487 30 10 IKEE CCc1ccc(C=Nn2c(Cc3ccccc3F)nnc2SCc2ccccc2C)cc1 2329702975 DXBVDKMZPUSPNV-UHFFFAOYSA-N 444.579 6.053 30 10 IKEE CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1cccc(OCc2ccccc2)c1 2330045657 FXKBXUFGGUKLQJ-IBGZPJMESA-N 428.561 5.613 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2ccc(C)cc2)o1 2330667701 HHTHJDLKDSGOCE-UHFFFAOYSA-N 446.532 5.198 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(OC)c1OC(=O)[C@@H]1CCCO1 2330674828 QGBFHBYKEBBZBZ-VWLOTQADSA-N 442.511 5.557 30 10 IKEE Cc1ccsc1C=Nn1c(SCc2cccc3ccccc23)nnc1[C@H]1CCCO1 2330979528 DKZVEZRSICMWGC-HXUWFJFHSA-N 434.590 5.827 30 10 IKEE O=[N+]([O-])c1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CCCC2)cc1 2331076137 ATQAUTXIQUAWER-UHFFFAOYSA-N 441.944 5.672 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OC(=O)c1cccc(OC)c1 2331101046 SYCLLDXCOHKSOK-UHFFFAOYSA-N 438.426 5.487 30 10 IKEE Cc1ccc(CSc2nnc(C(F)(F)F)n2N=Cc2cc(Cl)ccc2O)cc1 2331108913 NNYWZPBGGUKSBZ-UHFFFAOYSA-N 426.851 5.139 30 10 IKEE CCCSc1nnc(C(F)(F)F)n1N=Cc1ccc(OCc2ccc(C)cc2)cc1 2331146259 MPSRRQPHNPNFGP-UHFFFAOYSA-N 434.487 5.569 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2Cl)c1 2331320199 VEEGEHSIAAHVKI-UHFFFAOYSA-N 434.919 6.471 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)c1cccs1 2331346706 FAYYUPMHNXFAQB-UHFFFAOYSA-N 436.504 6.048 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)c3cccc(C)c3)c(OC)c2)c1 2331394392 BEINXGULHNHMBX-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)CC3CCCCC3)c([N+](=O)[O-])c2)cc1 2331497820 FALNXVZFVJRJAS-UHFFFAOYSA-N 435.520 6.490 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OC(=O)Cc1ccccc1F 2331569523 MKUUETPEFTZYIQ-UHFFFAOYSA-N 426.390 5.157 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1Cl 2331595189 XQRXAICNRJMOCH-UHFFFAOYSA-N 434.919 7.124 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccncc3)c([N+](=O)[O-])c2)c1C 2331649007 MZQOOZQKSIJURK-UHFFFAOYSA-N 430.460 5.339 30 10 IKEE CN(Cc1ccccc1)C1(CNc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCC1 2339541705 QNCDSEOMKUWDTC-UHFFFAOYSA-N 433.405 5.193 30 10 IKEE CC#CCN(C[C@@H](NCCC)c1c(F)cc(F)cc1Br)C(=O)OC(C)(C)C 2363129608 HAFFVXLNYQMXDY-QGZVFWFLSA-N 445.348 5.028 30 10 IKEE C=CCNC(=O)c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(=O)c1ccccc1S2 2953661 ALRWAECTFNLIQW-UHFFFAOYSA-N 428.557 5.531 30 10 IKEE C=CCn1c(SCC(=O)N(C)Cc2ccc(C)o2)nnc1-c1ccc(C(C)(C)C)cc1 10409374 KLBHIRKDLIJRKH-UHFFFAOYSA-N 438.597 5.081 30 10 IKEE CC(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@H]3c2cccnc2)cc1 17098992 NSRVIXAUPIXADV-IDISGSTGSA-N 434.543 5.970 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2c[nH]c3ccccc23)cc1 21220122 QLUNPKXIYZUSPC-SONOPUAISA-N 449.554 6.546 30 10 IKEE COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(S[C@H](C(=O)O)c3ccccc3)n2)cc1 22868772 BKIIEAZCXBPMAX-IBGZPJMESA-N 444.434 5.566 30 10 IKEE C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C/C(=C/c1ccc(OC(F)(F)F)cc1)C2=O 35678662 GAKVNINHIOJQFK-WJYFEAOQSA-N 442.477 6.410 30 10 IKEE C=CCOC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)C[C@H]1c1ccc(C(F)(F)F)cc1 37577358 DTKAPPZHIJKIGF-NRFANRHFSA-N 443.465 5.533 30 10 IKEE Cc1ccc(COc2ccccc2/C=C2\S/C(=N/c3ccncc3Cl)N(C)C2=O)cc1 39864196 AYGFLCAOKCFZKZ-NOPZMTQPSA-N 449.963 5.856 30 10 IKEE C=CCOc1cccc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCCCC)c1 40513347 RLZLXMIVYUDWGL-XMMPIXPASA-N 431.532 5.710 30 10 IKEE CCn1cc(/C=C2\Oc3c(CN4CCCCC4)c(O)cc(C)c3C2=O)c2cc(OC)ccc21 41511002 CMQBIRSHPGSIQO-CFRMEGHHSA-N 446.547 5.286 30 10 IKEE N#Cc1ccccc1S(=O)(=O)Oc1cc(Cl)ccc1-c1nc2cc(Cl)ccc2o1 96279301 RMBRSEZKNXSMEV-UHFFFAOYSA-N 445.283 5.441 30 10 IKEE CCCCCCCOc1cccc(NCC(=O)Nc2ccc(NC(=O)CC(C)C)cc2)c1 100090174 ANSYDYIHSTZPNE-UHFFFAOYSA-N 439.600 6.071 30 10 IKEE CCCCCCCCOc1ccc(N/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1 100168329 ACZPKOGLEXCFJW-XLNRJJMWSA-N 437.496 5.591 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2cccc(C(=O)N3CCCCCC3)c2)cc1 100384128 PDUKCOLGGQPPHC-UHFFFAOYSA-N 436.596 6.304 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2c(Cl)cccc2Cl)cc1 100429898 KYRGUMVWSGVINY-UHFFFAOYSA-N 439.408 6.469 30 10 IKEE COc1ccc(/C=C\C(=O)C(C(=O)/C=C/c2ccc(OC)cc2)=C2SCCS2)cc1 101461116 NEZJZZJLKJLEFJ-MFUUIURDSA-N 438.570 5.260 30 10 IKEE Cc1cccc(/N=C2/Sc3nc4cc(C)cc(C)c4cc3CN2CCN2CCOCC2)c1 104176498 OMGSLLBMHOMTRY-CYYJNZCTSA-N 446.620 5.088 30 10 IKEE N#C[C@H](Nc1cccc(Br)c1)c1ncc(Br)cc1Br 135310848 FIJQBUXQFSRQLR-LBPRGKRZSA-N 445.940 5.046 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2cccs2)c1 169928474 IOXWKEROAACZBX-QFIPXVFZSA-N 433.529 5.152 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@H](c2cccc(OCc3ccccc3)c2)NC(=S)N1C 169934716 CHDURMJJMJSKHV-DEOSSOPVSA-N 428.557 5.284 30 10 IKEE CCCOc1c(Br)cc(/C=N\Nc2nc(C)c(C(C)=O)s2)cc1OCC 169941349 OFOCOWMJUPIDLB-JMIUGGIZSA-N 440.363 5.050 30 10 IKEE CCCOc1c(Cl)cc(/C=N\Nc2nc(-c3ccc(OC)cc3)cs2)cc1Cl 169941881 GOPGUUUMTHPYFC-KSEXSDGBSA-N 436.364 6.360 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc3c(c2)OCO3)=C(c2ccc(C)c(C)c2)C1=O 170001607 GFRBALSMXSKJLQ-UHFFFAOYSA-N 448.563 5.585 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(Cl)cc2Cl)=C(N2CCCCC2)C1=O 170065322 CMYHZDZLJZGQBB-UHFFFAOYSA-N 437.411 5.920 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2Cc2cccnc2)cc1 170067919 OARKESKIADVKHN-AREMUKBSSA-N 440.543 5.303 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccc(C)o2)cc1 170102817 KCNRXEPDEWUCHF-QHCPKHFHSA-N 433.479 5.111 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccccc1OC(C)C 170150829 VQNZJMZHNPHFTG-RUZDIDTESA-N 447.575 5.731 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1cccs1 170156405 BCDZFUBJZIRRAW-HXUWFJFHSA-N 439.920 5.501 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccn2)cc1C(C)C 170168030 QZBWSKDEZDIGFM-QFIPXVFZSA-N 448.544 5.054 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccnc2)cc1C(C)C 170189244 IQTFWBVPODPGGH-DEOSSOPVSA-N 442.515 5.305 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccncc1 170211205 JNFBODHAYHASNS-QHCPKHFHSA-N 436.552 5.193 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1ccccc1 170228878 KSSWCBSXCYLUQD-RUZDIDTESA-N 439.555 6.384 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)cc2OC)[C@@H]1c1ccccc1 170232939 CBBDEIURXZJSGN-NRFANRHFSA-N 443.927 5.126 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(CC)cc2)cc1 170266642 JXOJLFJQURIWBY-VWLOTQADSA-N 447.575 5.949 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@H]2c2ccco2)cc1C 170285082 JJCDLWPBECGUBO-XMMPIXPASA-N 445.515 5.775 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccc(C)o2)cc1Cl 170300346 WNWYFOMXMCNQNG-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@H]1c1sccc1C 170319269 IALTUFZLHIQKRK-IBGZPJMESA-N 427.566 5.450 30 10 IKEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2c[nH]c3ccccc23)cc1 170383020 YEXCWVDUQCXRPE-XMMPIXPASA-N 437.499 5.017 30 10 IKEE N#Cc1cnn(-c2ccc3ccccc3n2)c1NC(=O)/C(=C\c1ccccc1)c1ccccc1 170536723 JBASZGGOGFREMX-ULJHMMPZSA-N 441.494 5.471 30 10 IKEE COc1ccc(OC)c(/C=C\C(=O)N2CCCSC2=Nc2ccc(C)c(Cl)c2)c1 263627289 AFCPVNAMWPANDJ-SEAIZUTGSA-N 430.957 5.332 30 10 IKEE Cc1ccsc1[C@@H]1C(c2cccc(OCC(C)C)c2)=C(O)C(=O)N1c1ccccc1C#N 526604908 LXHHTFDCVYGOTG-QHCPKHFHSA-N 444.556 6.020 30 10 IKEE N#Cc1ccccc1N1C(=O)C(Nc2cccc3ccccc23)=C(Sc2ccccc2)C1=O 526636932 NORHCDJXVQCZGG-UHFFFAOYSA-N 447.519 5.701 30 10 IKEE CC(C)COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)cc2)cc1 526710861 UMKSPLJFKXHXKX-DEOSSOPVSA-N 445.490 5.643 30 10 IKEE CC(C)(C)c1ccc(S(=O)(=O)N(C(=O)c2cccc(C#N)c2)c2ccc(F)cc2)cc1 586291516 AYHOBBPAUWQUCI-UHFFFAOYSA-N 436.508 5.031 30 10 IKEE O=c1c2c(-c3ccccc3)csc2ncn1N=C/C(Br)=C/c1ccccc1 606346824 IKSKHQSYTSVFNT-HLXDAOTBSA-N 436.334 5.395 30 10 IKEE CC(C)C[C@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Br)C1 698459221 VVNOCGZJJXRNOE-VGOFRKELSA-N 435.406 6.689 30 10 IKEE CCCCCCCC[C@@H](NCCC)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 702511884 UKDNRAJRDQBLRO-JWQCQUIFSA-N 447.708 6.131 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@](C)(C#N)Cc1cccc(F)c1 710710409 WAQRMGQYQHQISG-OAQYLSRUSA-N 433.321 5.855 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2cccc(OCc3ccccc3)c2)cc1 710772834 ZRCJUIPRULTMNC-RUZDIDTESA-N 428.532 6.580 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 710819117 FQYYHVKDLLVKEV-WAIKUNEKSA-N 449.979 5.621 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Cl)c1Br)NCC 719507933 WYENSSYJVOFFSX-SJORKVTESA-N 445.829 5.483 30 10 IKEE CCCCCCCCC[C@@H](O)c1ccc(I)c(Br)c1 721595121 TUQMITMUMATPFJ-MRXNPFEDSA-N 439.175 6.228 30 10 IKEE CCCCCCCC[C@@H](NC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 822114015 SWOUACDPBFAQCJ-BVAGGSTKSA-N 431.665 5.494 30 10 IKEE CN(C)c1ccc(/C=C\C=NN=C2CC[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]23C)cc1 885859687 KJCIEPRMJJUJPF-DRMXZHJPSA-N 445.695 7.625 30 10 IKEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2oc(CCC)nc2C)CC1 1760384343 UBGTUJJFLYWCOV-UHFFFAOYSA-N 443.498 5.000 30 10 IKEE CC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNc2ccccc2)CC(C)(C)C3)cc1 1772729536 SXIZDBAEFUDYQQ-UHFFFAOYSA-N 429.520 5.832 30 10 IKEE CCc1ccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)nn2Cc2ccc(Cl)cc2)cc1 1859399568 HMNLYGFCZAWZHR-UHFFFAOYSA-N 440.934 5.938 30 10 IKEE CC(C)(C)c1csc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3F)C2)c1C#N 1860666063 JEGRWCWGJRQZLX-CYBMUJFWSA-N 447.963 5.201 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc(OCC)cc2)cc1 1862393273 RKMIFJCAHUMODG-XMMPIXPASA-N 435.564 5.662 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2c(F)cccc2Cl)cc1C 1862404359 BLBAOECTFSQLDM-OAQYLSRUSA-N 445.918 5.421 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCc2ccccc2)cc1 1862413147 WREWAEYJQZXIIE-QHCPKHFHSA-N 433.454 5.094 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@@H]2c2ccc(F)cc2)cc1OCCC 1862425834 HAEOVXKBQNEROF-JOCHJYFZSA-N 441.499 5.002 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccc(C)cc2)cc1 1862441290 DTZMVCASYQYAFE-HSZRJFAPSA-N 431.919 5.735 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCCc2ccccc2)c1 1862444030 WIVWFDVXQMUYPV-DEOSSOPVSA-N 445.946 5.860 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 1862480043 WHTUXQIZPCXZBI-QHCPKHFHSA-N 435.564 5.033 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)c1 1862490083 NJPFUWLNBVHPEB-QHCPKHFHSA-N 449.909 5.874 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2cccc(O)c2)c1 1862490153 OQFQIGSATYGSIQ-VWLOTQADSA-N 441.527 5.404 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccccc2Cl)c1 1862490729 CLXOMNWWRPZNIM-QFIPXVFZSA-N 432.907 5.130 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C(C)C)cc1OCC 1862497237 DZFLRTQJNBPOCO-QHCPKHFHSA-N 437.536 5.088 30 10 IKEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccccc2)cc1 1862507434 LEFYUPVNVUBSJT-OSPHWJPCSA-N 445.490 5.482 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1cccc(Cl)c1 1862527501 ZKVBWEPZIPKZOS-QGZVFWFLSA-N 434.717 5.091 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2cccs2)cc1 1862561636 SGNDZIJFIGHKIY-JOCHJYFZSA-N 446.572 5.406 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2ccc(F)cc2)cc1 1862590500 KBBTUASOQHCVDP-FYSMJZIKSA-N 445.490 5.433 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(O)c(O)c1)c1cccc2ccccc12 1862654075 UUVXPXSNWATBTD-XMMPIXPASA-N 443.499 5.162 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc([N+](=O)[O-])cc1 1862654882 UWHHHVOUGFGKAR-IVZQSRNASA-N 430.460 5.125 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(C(C)C)cc2)=C(O)C(=O)N1Cc1ccc(F)cc1 1862660507 NAHNXXXWPOZDNQ-VWLOTQADSA-N 443.518 6.036 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc(O)c(O)c2)cc1 1862664422 ZUWFINIEGIQETO-GANZUKCXSA-N 449.547 5.378 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(Cl)cc2)[C@H]1c1ccccc1F)c1ccc(F)cc1 1862674614 ZIMIVIDHUAMJHM-NRFANRHFSA-N 439.845 5.397 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC2=CCCCC2)c1 1862676591 MQMFQBLGYWNYQD-XMMPIXPASA-N 449.522 5.693 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 1862727698 KFDJBNPJQCNICO-HSZRJFAPSA-N 440.455 5.003 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(O)c(OC)c1 1862727828 NBMSVHSCGWWTIR-DEOSSOPVSA-N 443.499 5.056 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(F)cc3F)C2=O)cc1Cl 1862942365 JOERDBBFMHVGQI-UHFFFAOYSA-N 449.844 5.195 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccccc3C(C)(C)C)C2=O)c1 1863035207 BMDXTBZJFIRCAT-UHFFFAOYSA-N 449.554 5.869 30 10 IKEE CCOc1ccccc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccccc2Cl)C1=O 1863068196 BNWGZUQMBMQCFS-UHFFFAOYSA-N 443.890 5.007 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccccc2OC)C1=O 1863430445 YMXLNXOOVJJWPS-HXUWFJFHSA-N 431.536 5.118 30 10 IKEE C=CCNC1=C(c2ccc(OC(C)C)cc2)C(=O)N(CCCCCCCCCC)C1=O 1863695550 OSUULHZGIXHHDG-UHFFFAOYSA-N 426.601 5.470 30 10 IKEE N#Cc1cccc(C(=O)N(c2cccc(Cl)c2)C2CCN(Cc3ccccc3)CC2)c1 1865857716 TTYYWOFQMUFOGB-UHFFFAOYSA-N 429.951 5.523 30 10 IKEE N#Cc1cccc(Nc2cc(N3CC[C@H](c4ccco4)C3)nc(-c3ccccc3Cl)n2)c1 1868404030 NRZLEUMXAVXBDH-SFHVURJKSA-N 441.922 5.999 30 10 IKEE C=CCN(CC=C)c1cc(N2CCN(C(C)C)c3ccccc32)nc(-c2ccc(C)cc2)n1 1869169109 ZVLOPKCGBSPSRU-UHFFFAOYSA-N 439.607 5.997 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)Nc2cc(C)ccc2OC)c(=O)cc1C 1870091850 YHNSSPLXXKYBBN-UHFFFAOYSA-N 442.600 5.632 30 10 IKEE CC(C)(C)c1cccc(-n2nnc(C#N)c2NC(=O)/C=C/c2ccc(Cl)cc2Cl)c1 1870141093 ZAYVNLUICQMUEY-CSKARUKUSA-N 440.334 5.395 30 10 IKEE N#Cc1nnn(-c2ccc(Oc3ccccc3)cc2)c1NC(=O)c1cccc2ccccc12 1870152754 JHZGWBVDORKKTJ-UHFFFAOYSA-N 431.455 5.337 30 10 IKEE CC(C)c1cc(C(C)C)cc(-n2nnc(C#N)c2NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)c1 1870162085 KPMZKEFOAMGIOV-LEWJYISDSA-N 447.970 5.781 30 10 IKEE CCCCCCCCn1cc(OCC(=O)N[C@@H](C)CC)c(=O)cc1CN(CC)CCCC 1870528617 PPJVSVJQTAKDPV-QFIPXVFZSA-N 449.680 5.124 30 10 IKEE C=CCn1cc(OCC2CCCCC2)c(=O)cc1CNc1ccc(Cl)c([N+](=O)[O-])c1 1870912918 CIILKCHBSTVRGO-UHFFFAOYSA-N 431.920 5.167 30 10 IKEE CC(=O)Nc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\C=C\c2ccccc2)C3=O)c1 1871364718 HCEKITRJMMMZOF-IGBUCQDTSA-N 439.467 5.345 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3c(ccc(OC(=O)c4ccc(C)c(C)c4)c3C)C2=O)c1 1871372177 CXBUERZNWBFZHM-OYKKKHCWSA-N 444.483 5.464 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1cccnc1)C2=O)c1cccc(Oc2ccccc2)c1 1871378727 BQOGZTPUIZBDEF-QFEZKATASA-N 435.435 5.709 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OCCCOc3ccc(Cl)cc3)ccc2C1=O 1871404945 IUFIHCSWOPLFSL-IWIPYMOSSA-N 436.891 5.813 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(O[C@@H](C)C(=O)Nc3ccccc3Cl)ccc2C1=O 1871405128 NXFXRVCGGSFYES-VRHSPDTKSA-N 449.890 5.371 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)c1 1871410762 BPECHEXRLOMYBL-ZKDCOOFMSA-N 431.463 5.465 30 10 IKEE CCc1cccc(CC)c1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccccc1)C2=O 1871455422 LUCYUPCUDLMVIO-JLPGSUDCSA-N 441.527 5.754 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4C(C)C)ccc3C2=O)cc1 1871456164 POENHVVGTNAEDA-QFEZKATASA-N 427.500 5.752 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1cccs1 1872220615 PGLZEJHVWJVGII-HXUWFJFHSA-N 448.654 5.420 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccccc1C(C)C)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872435835 VOJLNCAIKXGNOM-XMMPIXPASA-N 442.625 5.267 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1 1872498019 PWABHLIHCRQSIM-QFIPXVFZSA-N 449.016 5.413 30 10 IKEE N#C[C@H](C(=O)/C=C\c1ccc(Cl)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872759220 HOJYQLSPZVMPDL-YTUBISENSA-N 440.955 7.020 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccccc3C)n2)cc1 1872769913 CUXRPVWIPZBTMX-NRFANRHFSA-N 434.561 5.943 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@@H](C#N)C(=O)/C=C\c2ccc(Cl)cc2)n1 1872783886 KILABTSQXHVTBW-AFCDSYGPSA-N 443.355 6.324 30 10 IKEE CCCCCCCCNC1=C(c2ccc(-c3ccccc3)cc2)C(=O)N(CCCC)C1=O 1873088431 HRULCKNHVFPDNC-UHFFFAOYSA-N 432.608 6.184 30 10 IKEE N#Cc1nc(-c2cccs2)oc1N/N=C/c1cccc(OCc2ccccc2Cl)c1 1873462109 OWYMPJDPHPBMNI-DHRITJCHSA-N 434.908 5.953 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)cc2)cc2c(NCc3ccc(Cl)cc3)ncnc21 1873637721 MOBLCDIAPOQHMV-UHFFFAOYSA-N 431.927 5.444 30 10 IKEE CCCCCCCCNC(=O)[C@H]1CS[C@H](c2ccccc2)N1C(=O)c1ccc(C)cc1 1873886064 FSKDTLKUTLQINT-ZEQKJWHPSA-N 438.637 5.728 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1cccc2ccccc12 1874264784 PHHOTDGJWGEAHO-MFKUBSTISA-N 434.952 5.824 30 10 IKEE COc1ccc(CCc2nnc(SCc3ccc(C)cc3)n2/N=C/c2cccs2)cc1 1874304484 BIIFLQLSBTUJSK-PCLIKHOPSA-N 448.617 5.616 30 10 IKEE CCSc1nnc(CCc2ccc(OC)cc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874306984 ZSCHZUILQSFSJH-YDZHTSKRSA-N 435.380 5.373 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2)n1/N=C/c1ccc(Cl)cc1Cl 1874384527 UJVXMNYZKFVGSH-FOKLQQMPSA-N 433.364 5.714 30 10 IKEE Cc1ccc(C)c(CSc2nnc(COc3ccccc3)n2/N=C/c2cccc(O)c2)c1 1874384555 WAJQCSVECOWNQQ-CVKSISIWSA-N 444.560 5.354 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2cccc([N+](=O)[O-])c2)cc1 1874415543 VNRSYYFNKSTYKT-PCLIKHOPSA-N 443.532 5.260 30 10 IKEE CCOc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCCc2ccccc2)cc1 1874418342 KVPUBROCHXLDFC-NHFJDJAPSA-N 442.588 5.485 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2C(F)(F)F)cc1 1874459539 SIPVMVPIVHHBOZ-VULFUBBASA-N 448.514 5.959 30 10 IKEE C=C(C)CSc1nnc(CCCC)n1/N=C/c1ccc(OCc2ccccc2C)cc1 1874476799 YHZJZZPFOKIZJF-WGOQTCKBSA-N 434.609 6.059 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(O)c(OC)c1 1874479659 LCKYQESNXIAFKO-YDZHTSKRSA-N 430.961 5.163 30 10 IKEE Cc1ccc(C)c(CSc2nncn2/N=C/c2ccc(OC(=O)c3ccccc3)cc2)c1 1874538588 MQZBAFBMVAVMDP-JFLMPSFJSA-N 442.544 5.289 30 10 IKEE CC(C)(C)c1nnc(S)n1/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 1874559485 UXRSXZKTOJNBOA-FOKLQQMPSA-N 435.380 5.632 30 10 IKEE CCOc1cccc(/C=N/n2c(S)nnc2CCCOc2ccc3ccccc3c2)c1 1874569090 GTKYWFJVNGKIGI-KOEQRZSOSA-N 432.549 5.013 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1c(OCc2cccc(F)c2)ccc2ccccc12 1874581392 LNRUYUINOTZKMY-OUKQBFOZSA-N 426.487 6.771 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccccc2Cl)cc1C 1874591684 XCSFJQKRHOLCNY-CSKARUKUSA-N 441.354 7.094 30 10 IKEE C=C(C)COc1c(OC)ccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)c1Br 1874598228 BMBLLHULYQPYOP-JXMROGBWSA-N 445.353 5.934 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1cccc(OCc2ccccc2C)c1 1874599379 KCLBBQPVMLKGBN-ZHACJKMWSA-N 427.327 6.786 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OCC(=O)Nc1ccc(C)cc1C 1874611353 JGERSMHHQHSUPC-JLHYYAGUSA-N 445.515 5.234 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OCc1ccc(C(=O)OC)o1 1874613899 SKIPGTPIQJJMNH-ACCUITESSA-N 432.472 5.278 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Br)c1OCCc1ccccc1 1874614915 WYXFNHGNEDSTLK-OUKQBFOZSA-N 437.333 5.975 30 10 IKEE C=C(C)COc1c(Br)cc(/C=C/C(=O)c2cc(C)ccc2OC)cc1OC 1874619803 UEQGFCPKIBZMFN-BQYQJAHWSA-N 431.326 5.626 30 10 IKEE CCCOc1c(Br)cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1OCC 1874626426 DWSDEURZJLYLCA-CSKARUKUSA-N 447.369 6.158 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 1874633441 CANHICSTQKWBNL-CSKARUKUSA-N 437.879 6.040 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)ccc1OCc1cccc(F)c1 1874637517 DOVAAVGSXFPVQD-PKNBQFBNSA-N 434.507 6.325 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1OC(=O)[C@@H](C)c1ccccc1 1874693691 RILRNQVDNWIGFV-GRFAERAESA-N 440.539 6.179 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCCOc3ccc(Cl)cc3)c2)cc1 1874694455 DGOAZWLVFFNQFC-LICLKQGHSA-N 448.946 6.563 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccccc3)c2)cc1Cl 1874716661 BXUGBLVJOAGEGX-DHZHZOJOSA-N 436.891 5.401 30 10 IKEE O=C(Cc1ccccc1Cl)Oc1cccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1 1874718888 PCEQJLORXDGYIX-DHZHZOJOSA-N 445.729 6.691 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)c3ccccc3)c([N+](=O)[O-])c2)cc1 1875114174 MVAUBLVNVQIQHZ-AAKUMTKESA-N 431.444 5.209 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3)c(Br)c2)cc1 1875133522 YVSSMSAKTABPGU-UKTHLTGXSA-N 435.317 5.802 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)c1ccc(F)c(F)c1F 1875134144 LLFBEMMEUFMKCY-BJMVGYQFSA-N 440.417 5.845 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3F)c(Br)c2)cc1 1875136059 VITUIGYDBOEZFY-XYOKQWHBSA-N 439.280 6.012 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OC(=O)CCCSC 1875150460 OHFSBSFUTYAFCJ-FNORWQNLSA-N 448.924 5.022 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OC 1875156234 QEEICNWYHGMWNC-XNTDXEJSSA-N 442.983 7.244 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(OCCCCC)cc3)cc21 1891512982 ZJADJNPBPZPIBA-UHFFFAOYSA-N 436.552 5.446 30 10 IKEE C=C([C@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1)[Si](C)(C)C 1922982453 ILCSSRMGQXVKQL-COPCDDAFSA-N 434.697 5.287 30 10 IKEE CC[C@](C#N)(CCNC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1936964437 AWDAUMLUWFDGNN-JOCHJYFZSA-N 437.968 5.669 30 10 IKEE CCCCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C(=O)O)C1CC1 1979596530 UFBCMAASQPMPKZ-IZZNHLLZSA-N 449.591 6.365 30 10 IKEE 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)CC1 2023566768 SCDNFRRJHAKFAX-STXHMFSFSA-N 449.514 5.152 30 10 IKEE C=CCCCCCC[C@@H](NCCC)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2026003185 OFCWJQINAANHRX-DNQXCXABSA-N 432.649 5.991 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)C1(C#N)[C@H]2CC[C@H]1CN(Cc1ccccc1)C2 2037934566 HIKPQGFTRLYAGH-GOTSBHOMSA-N 431.580 5.541 30 10 IKEE C=CCn1c2ccccc2n2nc(C)c(C(=O)C=Cc3cc(Cl)cc(Cl)c3OC)c12 2053515253 KWVMQIZNTAUQOB-UHFFFAOYSA-N 440.330 5.995 30 10 IKEE C=C(C)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@@H](O)C[C@@H](O)[C@@]34C)[C@H]12 2053639384 SWEUJTWPRYKNNX-WMFXNFTPSA-N 442.728 6.996 30 10 IKEE C=C1CCC(CC(=O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CC1 2071360074 SFDCEWBJLYLRRG-UHFFFAOYSA-N 426.556 7.164 30 10 IKEE CC[C@H](c1cc(C)c(C)cc1C)n1nc(C(C)C)c(/C=N/O)c1I 2078981310 LQYOCQFICUYRLP-LYUVJKPTSA-N 439.341 5.344 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@H](C#N)c1c(Cl)cccc1Br 2094995633 WDDLFLIWAJJRKC-KRWDZBQOSA-N 441.797 6.627 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(C)sc(C)c1Br 2102883874 JEHOHAHXAMJCNV-YJBOKZPZSA-N 443.451 5.475 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@]1(C)CNc1cc(Br)c(C#N)cc1F 2106033112 RZBDTLRFJAXHBJ-LJQANCHMSA-N 426.330 5.051 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@@H](C#N)c1c(F)cc(Br)cc1F 2114283062 KOZJUKPIYAWBCO-ZDUSSCGKSA-N 430.253 5.229 30 10 IKEE N#Cc1cc(F)c(NC[C@@]23CC[C@H]2CCCN3Cc2ccccc2)cc1Br 2145618216 QKXUXBWELNFHEU-GCJKJVERSA-N 428.349 5.317 30 10 IKEE CN(CCc1ccc(Nc2cc(Br)ccc2C#N)cc1)C(=O)OC(C)(C)C 2162303981 XIRQMKCWAZOBJM-UHFFFAOYSA-N 430.346 5.474 30 10 IKEE CN(Cc1cccc(Nc2ccc(C#N)c(Br)c2F)c1)C(=O)OC(C)(C)C 2162351029 VNVSFWCDFUNLSB-UHFFFAOYSA-N 434.309 5.570 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2c(F)cc(Br)cc2F)c1 2170702649 DHYBNHONOZSDEC-QGZVFWFLSA-N 437.284 6.042 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1CN(c1ccc(C#N)c(Br)c1)C1CC1 2174811281 WETPMRSZRMGXJP-SFHVURJKSA-N 434.378 5.079 30 10 IKEE C=CCC1([C@@H](NCCC)c2ccc(Br)c(C)c2)CN(C(=O)OC(C)(C)C)C1 2192073985 XQBJSURSHOBFAJ-IBGZPJMESA-N 437.422 5.611 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCCC)c2c(F)cc(C)cc2Br)C1 2197747494 DVKZVXIHQBRMML-GOSISDBHSA-N 441.385 5.551 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@H](C#N)c1c(F)ccc(Br)c1F 2231228582 PDUQPIJFFUVLEB-GFCCVEGCSA-N 430.253 5.229 30 10 IKEE C[C@@H](c1ccc(NC(=O)OC(C)(C)C)cc1)[C@@H](N)C#Cc1ccccc1Br 2235745477 CROHXMRHRZWNGQ-YWZLYKJASA-N 429.358 5.279 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2cc(C)cc(Br)c2)c1 2237248230 IEKRDIDQFACSHL-LJQANCHMSA-N 431.330 5.773 30 10 IKEE C#C[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2243925462 WHVCFNRTZIYFLH-FQRUVTKNSA-N 446.591 5.104 30 10 IKEE C=C(C)CCCC[C@@H](NC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2250129789 ZDVWYXFIJHWNQA-ZEQKJWHPSA-N 430.633 5.555 30 10 IKEE Cc1c(Br)sc([C@@H](C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)c1C 2254669775 ZCQWYXIOFMZMFK-GFCCVEGCSA-N 428.356 5.630 30 10 IKEE C=C(C)CCCC[C@H](N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2271755768 XZCCINRFUWGYLG-WNJJXGMVSA-N 445.603 6.342 30 10 IKEE C=CCCC1([C@H](NC)c2cc(F)c(Br)cc2F)CN(C(=O)OC(C)(C)C)C1 2281043002 VKPGNRODCGZCEX-QGZVFWFLSA-N 445.348 5.191 30 10 IKEE CC[C@H](CCNC(=O)OC(C)(C)C)CC[C@@H](C#Cc1ccc(Br)cc1)NC 2296307487 VEGRAEVBSDTMIU-PXNSSMCTSA-N 437.422 5.110 30 10 IKEE Cc1cccc(N=C2SC(=C3Sc4ccccc4N3C)C(=O)N2Cc2ccccc2)c1 2297553898 JKAFXXMAVDDEAU-UHFFFAOYSA-N 443.597 6.169 30 10 IKEE CCOc1ccc(N=C2SC(=Cc3cc(C)n(-c4cccnc4)c3C)C(=O)N2CC)cc1 2297560652 VSSYOJGSZNFLTL-UHFFFAOYSA-N 446.576 5.512 30 10 IKEE CCN1C(=O)C(=Cc2ccccc2OCc2ccc(Cl)cc2)SC1=Nc1ccccn1 2314542740 YRZPMMBULSBERG-UHFFFAOYSA-N 449.963 5.938 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1cccc(OC(C)C)c1 2318571379 JIFVVWVQNJUPKS-UHFFFAOYSA-N 449.407 6.109 30 10 IKEE CCCCOc1ccc(C=Nn2c(CC)nnc2SCc2ccc(C)cc2)cc1OC 2320923075 XCYFXHYMWYMJMH-UHFFFAOYSA-N 438.597 5.511 30 10 IKEE Cc1cc(OCC(=O)OC(C)(C)C)cc2c1C(=O)C(=Cc1ccc(Br)cc1)O2 2321734370 KPXAGFKRCAIXPL-UHFFFAOYSA-N 445.309 5.094 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(S)n1N=Cc1ccccc1OCc1ccccc1Cl 2321962524 GQYZFHUOCQTKOE-KRWDZBQOSA-N 448.979 5.833 30 10 IKEE CCCCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(N(CC)CC)cc1)C3=O 2322088953 MNQUGWBPVCJGHL-UHFFFAOYSA-N 448.607 6.190 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc4c3CN(Cc3cc(C)ccc3C)CO4)C2=O)cc1 2322170918 NABYLMWYOIEXNP-UHFFFAOYSA-N 425.528 5.834 30 10 IKEE CCc1ccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3ccc(OC)cc3)C4)C2=O)cc1 2322305446 WICOGROHWJXTBA-UHFFFAOYSA-N 441.527 5.534 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2cc(C)ccc2C)cc1 2322362639 CXMPZULLPZZFQV-UHFFFAOYSA-N 447.962 6.433 30 10 IKEE CCCCCOc1ccccc1C=NNc1cnn(-c2ccc(Cl)cc2)c(=O)c1Cl 2322611766 KUQJCGQFRGWOGK-UHFFFAOYSA-N 445.350 5.554 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2ccc([N+](=O)[O-])cc2)cc1 2322612831 MRGHCSHFPHAUJU-UHFFFAOYSA-N 447.487 5.867 30 10 IKEE Cc1c(OC(=O)Cc2ccccc2)ccc2c1OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2322884613 OYPPRRHWZMTZAN-UHFFFAOYSA-N 446.502 6.426 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1 2323075991 ITZPWHGMGCEBGP-UHFFFAOYSA-N 442.467 5.242 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCC)NC(=O)C=Cc1ccc(Cl)cc1Cl 2323310423 JBVAEGBLMRKBIA-FQEVSTJZSA-N 427.416 5.768 30 10 IKEE CN(C)c1ccc(C=C2Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc3C2=O)cc1 2323396347 AAIIMCALMGQGGF-UHFFFAOYSA-N 449.506 5.670 30 10 IKEE Cc1cc(O)c(CN2CCCCCC2)c2c1C(=O)C(=Cc1ccc(Br)cc1)O2 2324069884 NZQZFOCPTUBSIT-UHFFFAOYSA-N 442.353 5.455 30 10 IKEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(F)c(F)c3)cc2Cl)o1 2324241438 HTUJNLWDLPNPTC-UHFFFAOYSA-N 432.806 5.473 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCc3c(F)cccc3Cl)c([N+](=O)[O-])c2)cc1C 2324450230 DKEZZQIOGMDKDD-UHFFFAOYSA-N 439.870 6.479 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 2324537116 CANHICSTQKWBNL-UHFFFAOYSA-N 437.879 6.040 30 10 IKEE Cc1cccc(OCCCCOc2cc(C)c3c(c2)OC(=Cc2ccccc2Cl)C3=O)c1 2324571079 AOLSLGZLPCNOST-UHFFFAOYSA-N 448.946 6.811 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3cccc4ccccc34)cc2)cc1Cl 2324607238 ZCFLKJMYMBLTHX-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE N#C[C@@H](C(=O)C=Cc1ccc(Cl)c(Cl)c1)c1nc(-c2cccc3ccccc23)cs1 2324637694 ILHCOOHEYVKGIM-IBGZPJMESA-N 449.362 7.160 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCC(=O)N[C@@H](C)c4ccccc4)c3C)C2=O)cc1 2325020050 SDEXQJABCBQEKE-IBGZPJMESA-N 427.500 5.176 30 10 IKEE CCCOc1ccccc1C=Nn1c(CC)nnc1SCc1cccc2ccccc12 2325603828 SJXJAAAOLVCBMF-UHFFFAOYSA-N 430.577 5.957 30 10 IKEE O=C(COc1ccc(Cl)cc1)Oc1cccc(C=CC(=O)c2ccc(F)cc2F)c1 2325726051 ZSCJHVOGJKEMOX-UHFFFAOYSA-N 428.818 5.499 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1OC(=O)c1sccc1C 2325755114 DAAWESSPYRFCAW-UHFFFAOYSA-N 436.529 5.806 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3sccc3C)c2)cc1Cl 2325767288 HZFVMKSTVYTJKY-UHFFFAOYSA-N 442.920 5.842 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc(Br)c1O 2325795050 PNAUUDXGRZOTLL-UHFFFAOYSA-N 439.305 6.242 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccc(C)cc1 2326074884 RAJBTISIIHYYGH-UHFFFAOYSA-N 426.973 5.412 30 10 IKEE CCCOc1ccc(C=Nn2c(C)nnc2SCc2cc(C)ccc2C)cc1[N+](=O)[O-] 2326589527 CRNNZDUTCSIXJX-UHFFFAOYSA-N 439.541 5.075 30 10 IKEE C=CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccccc1[N+](=O)[O-] 2326927053 IPNNBWDEPHBTEZ-UHFFFAOYSA-N 437.569 5.106 30 10 IKEE Clc1ccc(CCc2nnc(SCc3ccccc3)n2N=Cc2cccnc2)cc1 2328056541 NARMLHICGFALGG-UHFFFAOYSA-N 433.968 5.286 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CCCOc2ccccc2)nnc1SCC=C 2328754138 VWGOWCNNCPKSQC-UHFFFAOYSA-N 434.565 5.015 30 10 IKEE C=CCSc1nnc(COCc2ccccc2)n1N=Cc1ccc(Cl)c(Cl)c1 2329352622 DPMJLLVPZGBEKI-UHFFFAOYSA-N 433.364 5.462 30 10 IKEE CCCOc1c(C=Nn2c(CCc3cccs3)nnc2SCCC)cccc1OC 2329674378 DMKFCBRJLFHCTC-UHFFFAOYSA-N 444.626 5.307 30 10 IKEE Cc1ccc(C=Nn2c(Cc3ccc(C)cc3)nnc2SCCc2ccccc2)cc1 2330004325 NZCXLSOGDXNNBR-UHFFFAOYSA-N 426.589 5.703 30 10 IKEE Cc1ccc(C=Nn2c(SCc3ccccc3C)nnc2[C@@H](C)c2ccccc2)cc1 2330057862 XZMVLARWADTYAW-NRFANRHFSA-N 426.589 6.221 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCCCO)n1N=Cc1ccc(Cl)cc1Cl 2330133609 YSTFGWIUAQUEDF-AWEZNQCLSA-N 435.380 5.093 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2)n1N=Cc1cccc(Br)c1 2330193843 MWXWEUJYPXACRQ-UHFFFAOYSA-N 441.398 5.376 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2cccs2)cc1C 2330632541 IGPWBUNQGUUJEI-UHFFFAOYSA-N 447.589 5.236 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(SCc2ccc(F)cc2)nnc1-c1ccccc1 2330640054 RWCCSMILJQFBJI-UHFFFAOYSA-N 446.551 6.046 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 2330804478 LNBZBHRDXDDPQN-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1 2330910434 FSBHWDSEUIWVPU-UHFFFAOYSA-N 436.891 5.619 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 2330913266 BWHCHDXSJMSZRZ-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE Cc1ccccc1CSc1nnc(C(F)(F)F)n1N=Cc1cn(C)c2ccccc12 2331114365 DSOJQVGPARBMMY-UHFFFAOYSA-N 429.471 5.272 30 10 IKEE FC(F)(F)c1nnc(SCc2ccccc2Cl)n1N=Cc1ccccc1Cl 2331141841 QVJYUBXNBYHNTK-UHFFFAOYSA-N 431.270 5.778 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccco3)n2N=Cc2ccc(Cl)cc2Cl)cc1 2331167934 SSCXSWNQATXILM-UHFFFAOYSA-N 443.359 6.328 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1Br 2331339182 NRGOOKTXSAXGHE-UHFFFAOYSA-N 447.344 6.669 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cc(Cl)c(OC(=O)c3ccco3)c(OC)c2)c1 2331377366 PEYRNGNPDOIVTK-UHFFFAOYSA-N 442.851 5.074 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1OC 2331571214 DZHCXROGGGXIRB-UHFFFAOYSA-N 430.491 6.526 30 10 IKEE C=CCOc1ccccc1C=Nn1c(COC)nnc1SCc1cccc2ccccc12 2331595090 LLPVXYNKXODBLU-UHFFFAOYSA-N 444.560 5.317 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)c1sccc1C 2331705296 CGPYDGKVNMBDGU-UHFFFAOYSA-N 436.529 5.806 30 10 IKEE CC1(C)OB(C=Cc2ccc(NC[C@@H]3CCCN(Cc4ccccc4)C3)nc2)OC1(C)C 2339544578 JGKOVIUDWRYYRV-QHCPKHFHSA-N 433.405 5.050 30 10 IKEE CC1(C)OB(c2ccc(CSCc3ccc(Cl)o3)cc2Br)OC1(C)C 2349812591 XETOLKHNVZLHTA-UHFFFAOYSA-N 443.599 5.428 30 10 IKEE C#Cc1ccc2c(ccn2Cc2ccc(I)c(Br)c2)c1 2377254379 NRMISJQZQKJQOT-UHFFFAOYSA-N 436.090 5.038 30 10 IKEE C=CCN1C(=O)[C@@H](C)Oc2cc(NC(=O)CC(c3ccccc3)c3ccccc3)ccc21 12169603 FDTUYXKZKJRGJB-LJQANCHMSA-N 426.516 5.147 30 10 IKEE N#CC1(C#N)[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccc(Br)cc1F 16037716 SPHGPQZGQGWSKW-FVWOVYMGSA-N 427.317 5.121 30 10 IKEE CC(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@H]3c2cccs2)cc1 19630327 KQHDPXTYVWFADI-SIBVEZHUSA-N 439.584 6.637 30 10 IKEE O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@@H](c1cccc3ccccc13)Nc1ccccc1N2 20885689 ONRXGPTXKMIGMC-ACSYHNTCSA-N 434.514 6.958 30 10 IKEE CC[C@@H](C)Oc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1cccs1)C2 21240539 PJPXODVMDIJUEQ-UHMYUZELSA-N 444.600 6.905 30 10 IKEE CC[C@H](Sc1cc(C)c2cccc(C)c2n1)C(=O)Nc1sc2c(c1C#N)CCCC2 32529119 PDICJCBMJRSNQW-IBGZPJMESA-N 435.618 6.173 30 10 IKEE CCCCCCCCCCCCCCCCCCSCCNC(=O)c1ccccc1O 33354681 NGSKDMLFBPZFJB-UHFFFAOYSA-N 449.745 8.117 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccccc2OCCCOc2cc(C)ccc2C)SC1=S 33430083 BPOOJJIGRJUPKQ-JWGURIENSA-N 439.602 5.539 30 10 IKEE O=C(/C=C/c1c(F)cccc1Cl)c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 34954041 YXSYJZOUOIUOGA-VAWYXSNFSA-N 425.799 5.503 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(C(=O)/C=C/c2c(Cl)cccc2Cl)cc1 34954055 LGKAYEJLHDQUHM-BUHFOSPRSA-N 427.283 6.117 30 10 IKEE C=C(Br)Cn1c(CCCCCNC(=O)c2ccccc2C)nc2ccccc21 40212541 STCNFACMUKBBIG-UHFFFAOYSA-N 440.385 5.396 30 10 IKEE CCN(CC)c1ccc(/C=C2/C[C@@H](C)C(=O)/C(=C\c3ccc(N(CC)CC)cc3)N2)cc1 59941144 HPVTZUCRCWCBJD-YWLCRSJBSA-N 431.624 5.960 30 10 IKEE C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)c1ccc(F)cc1F 96990007 SDKZNFFUZNJDRD-ZDUSSCGKSA-N 449.910 5.338 30 10 IKEE CCCCCCCCCCCC(=O)N1CCc2c([nH]c3ccc(OC)cc23)[C@H]1CNC 102542812 IEWXIXGDERBBBW-XMMPIXPASA-N 427.633 5.743 30 10 IKEE O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 103746912 HJXMPAACJJZEPA-UHFFFAOYSA-N 435.673 6.649 30 10 IKEE CC(C)Oc1c(Cl)cc(/C=N\Nc2nc(-c3ccc(Cl)cc3)cs2)cc1Cl 169941164 YJXMSTGPXJPJJU-AQHIEDMUSA-N 440.783 7.004 30 10 IKEE CCCCOc1c(OC)cc(/C=N\Nc2nc(-c3ccc(C)cc3)cs2)cc1[N+](=O)[O-] 169941257 CMBDFCITKPYVGO-QRVIBDJDSA-N 440.525 5.660 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccc(O)cc2)cc1 169958288 NOSNNSSPUUCHCJ-SANMLTNESA-N 441.527 5.618 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccc(O)cc2)cc1 169964046 ORQVJVVQJXULMZ-QFIPXVFZSA-N 435.426 5.016 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2ccc(O)cc2)cc1C 169964048 KTCXDKUOARCNEQ-JOCHJYFZSA-N 435.426 5.070 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2cccc(C)c2)c1 169966063 IPJQNMXHSZBTNQ-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccs2)cc1 169983006 IKTQFFUHFBWIDZ-NRFANRHFSA-N 437.948 6.308 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccccc2F)c1 170069483 KGMJVHIPVWUDHN-QHCPKHFHSA-N 447.462 5.016 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccc2F)cc1C 170072374 DQYWBXFVWVPSAI-QHCPKHFHSA-N 433.454 5.360 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccc(C)o2)cc1 170101383 USMCZGJMYIKQTM-HSZRJFAPSA-N 431.488 5.386 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(OC)cc2)c1 170116916 OLCVSBZZEAJPDC-HSZRJFAPSA-N 435.520 5.005 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2Cc2ccco2)c1 170119032 OSZSDOZXRFUHLO-DEOSSOPVSA-N 439.467 5.220 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(C)c1 170147500 YFHXBYAUFHZOHH-FQEVSTJZSA-N 432.347 6.070 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1cccs1 170159885 BHZBNQGGJUGWKZ-QFIPXVFZSA-N 449.528 5.327 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccccc2)cc1C 170224707 AXQVUNYOANUXJZ-DEOSSOPVSA-N 443.499 5.272 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2)cc1 170230459 DBDQCRWPPGNZNP-QHCPKHFHSA-N 431.488 5.093 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(F)cc2)cc1 170238611 UJTXASNVOBYMRA-QHCPKHFHSA-N 449.453 5.537 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@H]1c1cn(C)c2ccccc12 170269346 WZQGZVGAWKMGOD-XMMPIXPASA-N 446.547 5.264 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccc2C)c1 170270744 PQARIBWSUXEGLF-DEOSSOPVSA-N 445.490 5.706 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1Cc1ccccn1 170274519 MZUVHKDQZRWNRT-RUZDIDTESA-N 434.495 5.322 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC(C)C)c3)[C@H]2c2ccco2)cc1 170287515 HEGWBACVMPCVMN-HSZRJFAPSA-N 431.488 5.406 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@@H]1c1ccc(C)o1 170302007 KCKVYYINLJXMKC-HSZRJFAPSA-N 445.515 5.613 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(C)o2)c1 170308271 WTMGPPPSTPXHNW-HXUWFJFHSA-N 429.900 5.161 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1Cc1cccnc1 170316985 LGXOMXVHLSPCSC-QFIPXVFZSA-N 440.524 5.383 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@H]1c1sccc1C 170318621 GFUPGWDPSVBGCI-FQEVSTJZSA-N 427.566 5.470 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(N3CCCC3)cc2)[C@H]1c1ccc(F)cc1)c1ccccc1 170376054 FLXDKDMELRHJRO-DEOSSOPVSA-N 442.490 5.209 30 10 IKEE C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)C(=O)/C(=C\c3cccc(Cl)c3Cl)C[C@H]12 253560230 ANTLLZHQDMIOLB-CPRAGQNUSA-N 447.446 6.959 30 10 IKEE COCCN1C(=O)/C(=C\c2ccc(-c3ccc(C#N)cc3)o2)SC1=Nc1ccccc1 254565511 APARRRRJBVTTQW-MUJYFGONSA-N 429.501 5.069 30 10 IKEE C=CCn1sc(=NC(=Nc2ccccc2)c2ccccc2)n(Cc2ccccc2)c1=S 254700145 FOVOXINAXRBTJL-UHFFFAOYSA-N 442.613 5.994 30 10 IKEE N#Cc1ccc(NCc2cc(Cl)ccc2I)cc1Br 405288017 FSVTWMZCZDNCMS-UHFFFAOYSA-N 447.501 5.191 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@@H]2c2ccc(Br)cc2)c1 526522955 UJNUILBYCOLXHU-NRFANRHFSA-N 449.279 5.517 30 10 IKEE CC(C)Oc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)cc1 526708731 BPMZWZFPMFCGMR-HSZRJFAPSA-N 447.918 5.910 30 10 IKEE CCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1c(Cl)cccc1Cl 526805547 IILYGDIMRCADEH-MXAYSNPKSA-N 447.435 6.619 30 10 IKEE CCOc1c(Cl)cc(/C=N\n2c(C)nnc2SCc2cc(C)cc(C)c2)cc1OC 526809447 FTZACRPOIZHKLL-MSXFZWOLSA-N 444.988 5.439 30 10 IKEE CCCOc1cc(/C=N\n2c(CC)nnc2SCc2cccc(Cl)c2)ccc1OC 526811508 MXJWEYGUZXOHFA-OYKKKHCWSA-N 444.988 5.466 30 10 IKEE CCOc1c(Cl)cc(/C=N\n2c(C)nnc2SCc2cc(C)ccc2C)cc1OC 526818419 ICYCHYOKKRFOPE-MSXFZWOLSA-N 444.988 5.439 30 10 IKEE C=CCCC[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCC 686831481 XCRRJRFCTNUTSZ-HSZRJFAPSA-N 429.649 5.270 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1ccc(C)cc1Br 698480974 ZQVHOWSXWWMHKN-GOSISDBHSA-N 431.330 5.773 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2ccc(F)cc2Br)cc1 698954804 CLXLVHDVKUYXPR-GOSISDBHSA-N 435.293 5.603 30 10 IKEE C[C@@H]1[C@H]2CC[C@@H](C[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1)N2C(=O)OC(C)(C)C 709318445 QNSKGZLADLASQV-RVGQZVGJSA-N 447.620 5.626 30 10 IKEE CCOc1cc(C=NNc2nc(-c3ccccc3)c(-c3ccccc3)s2)ccc1OC 1084626696 WOQJLKKMDFBNIB-UHFFFAOYSA-N 429.545 6.330 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=Nc1ccccn1 1772730336 DXADMNYEJSWZGF-PUYZJMEQSA-N 430.316 5.882 30 10 IKEE Cc1cc(C)cc(OC(=O)c2oc3c(c2C)C(=NNc2ccc([N+](=O)[O-])cc2)CCC3)c1 1772748212 SOEXXGQYKCWMJO-UHFFFAOYSA-N 433.464 5.485 30 10 IKEE FC(F)(F)Oc1cccc(-c2c(C(F)(F)F)cc(C(F)(F)F)cc2C(F)(F)F)c1 1848364873 LDXPQVIZTITDGD-UHFFFAOYSA-N 442.199 7.309 30 10 IKEE COc1ccc(-c2cc(C(=O)Nc3ccccc3C#N)nn2Cc2ccccc2Cl)cc1 1859402112 KVCSWMRETRGGCV-UHFFFAOYSA-N 442.906 5.384 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)c2ccccc2SCC(C)C)nc2ccccc12 1859657211 XUNJFNQXVPRMEF-UHFFFAOYSA-N 441.560 5.601 30 10 IKEE FC(F)(F)c1cccc(CNC(=S)N/N=C/c2cccc(OCc3ccccc3)c2)c1 1860499742 VYBBKEWXCRBTGY-RWPZCVJISA-N 443.494 5.283 30 10 IKEE CCOc1ccc(/C=C/C(=O)C(=O)Nc2ccccc2Oc2ccccc2)cc1OCC 1860729075 VLHBYVCUTCJZPF-JQIJEIRASA-N 431.488 5.497 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2cccc3ccccc23)cc1 1862397146 NQLVLZWUWHCKTR-RUZDIDTESA-N 425.528 5.923 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2cccc3ccccc23)cc1 1862398411 XOMSLNZWXJYKEI-SANMLTNESA-N 441.571 6.417 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)cc1 1862445319 SJSSCZCZNDJKEN-ZAOYMGCJSA-N 439.939 5.506 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccccc1Cl 1862470971 ZXJBMAWMEPGCTF-QGZVFWFLSA-N 434.717 5.091 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(Br)c2)cc1 1862488219 TXUVVTJJISKZPX-HXUWFJFHSA-N 440.337 5.278 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccccc2Cl)c1 1862491013 JORLYUWLLDGOFH-XMMPIXPASA-N 449.978 6.426 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 1862538717 KRENYINWTPAZAD-HXUWFJFHSA-N 431.454 5.502 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1[C@@H]1CCCC[C@@H]1C 1862544498 FKCFOOSGZLLBRI-YQIFXUADSA-N 443.587 6.031 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1c(F)cccc1Cl 1862584762 HBXAFNNPULDOIS-KRWDZBQOSA-N 442.701 5.773 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1cccc(F)c1 1862591051 UCCQAJWEQQJMJW-KNQAVFIVSA-N 425.500 5.469 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(N(CC)CC)cc1 1862624416 XLOJSIAFRWRGGJ-XMMPIXPASA-N 448.607 5.819 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc2cc[nH]c2c1 1862677804 GUIFELPZLBUKAW-UPCLLVRISA-N 440.474 5.647 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc2cc[nH]c2c1 1862679017 UCJIPBYRGKTEKD-ZJSXRUAMSA-N 448.538 6.244 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cc(Cl)cc(Cl)c1)c1ccc(F)cc1 1862679680 JZFSHXJZRNLONR-IBGZPJMESA-N 434.294 5.653 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccc(O)c1 1862722748 YDEXXYSAGGZGTJ-DEOSSOPVSA-N 427.500 5.294 30 10 IKEE CCCCc1ccc(NC2=C(c3cc(C)ccc3C)C(=O)N(c3ccccc3C#N)C2=O)cc1 1863037082 VFZWLFGPOCQIKA-UHFFFAOYSA-N 449.554 5.914 30 10 IKEE Cc1cc(C)cc(NC2=C(c3ccccc3Cl)C(=O)N(c3ccccc3C#N)C2=O)c1 1863083445 OUESPMLXEJUKCW-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE Cc1cc(C2=C(Nc3ccccc3C#N)C(=O)N(c3cccc4ccccc34)C2=O)ccc1F 1863090074 NIUHIOGBBSJGKQ-UHFFFAOYSA-N 447.469 5.556 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(CCCCc3ccccc3)C2=O)cc1 1863270776 VCXZOGCFIDAJSU-UHFFFAOYSA-N 435.527 5.082 30 10 IKEE Cc1ccc([C@@H](CC(=O)N[C@@H](C(=O)Nc2cccc(C#N)c2)c2ccccc2)C(C)C)cc1 1866735409 HLVQUPRSMACIMF-AHKZPQOWSA-N 439.559 5.493 30 10 IKEE CCC[C@H](NC(=O)C[C@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1ccc(C#N)cc1 1866777883 ZDVRWTJKTUYEPK-RPBOFIJWSA-N 443.522 5.143 30 10 IKEE Cc1ccccc1-c1nc(Nc2ccc(C#N)cc2)cc(N2CCc3nc[nH]c3[C@@H]2C(C)C)n1 1868311524 SOLGLLJUJPSAAA-SANMLTNESA-N 449.562 5.550 30 10 IKEE CCCc1nc(Nc2cccc(C#N)c2)cc(N2CCC[C@H]2c2nc3ccccc3s2)n1 1868377992 DZSSJPPDZXWHPQ-FQEVSTJZSA-N 440.576 5.996 30 10 IKEE COc1cccc(-c2nc(Nc3ccccc3C#N)cc(N3CC[C@H](c4ccco4)C3)n2)c1 1868511587 WPSGRNNKQVADIU-FQEVSTJZSA-N 437.503 5.354 30 10 IKEE C=CCOc1cn(CCCCCC)c(CSc2nc3ccccc3n2CCC)cc1=O 1870244792 IGJYCODSLMCTKQ-UHFFFAOYSA-N 439.625 6.045 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN(C)CCCC 1870349533 RAGDNYFVAKEWPW-UHFFFAOYSA-N 437.628 5.891 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc4c3CN(CCOc3cc(C)cc(C)c3)CO4)C2=O)cc1 1871347344 QSVCBHDJYLPVKW-YSMPRRRNSA-N 441.527 5.459 30 10 IKEE CCc1ccc([C@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2ccccc2OC)C4=O)cc1 1871354128 IAGJTHBISOCEED-OMTSMLQXSA-N 441.527 5.787 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1 1871388724 AHXVCWBKMDBLFK-UCQKPKSFSA-N 442.467 5.454 30 10 IKEE CCCCN(CC)Cc1c(O)cc(C)c2c1O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 1871395703 DDDWQXXHHCMXQR-NDENLUEZSA-N 434.363 6.246 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2cccs2)C3=O)cc1 1871412693 ZFZWKUKGJYPBRG-MNAFEPAFSA-N 435.501 5.087 30 10 IKEE CCn1cc(/C=C2\Oc3c(ccc(OC[C@H]4CCCO4)c3C)C2=O)c2cc(OC)ccc21 1871450450 YUNHOOKWWLBPSD-HRGKPLJHSA-N 433.504 5.152 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)C(C)C)S(=O)(=O)CCCC 1871838171 DDNXDNXDTUBMLQ-QHCPKHFHSA-N 444.597 5.060 30 10 IKEE C=CCN([C@H](C(=O)Nc1cc(C)cc(C)c1)[C@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1871996845 HDYUQOUGEQSKLJ-GCJKJVERSA-N 449.016 5.187 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)c3ccc(F)c(F)c3F)n2)cc1C(C)C 1872779354 HYUHOJMHIBFFND-MRXNPFEDSA-N 444.478 6.158 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)c3ccc(OC(C)=O)cc3)n2)cc1C(C)C 1872779936 UYIZOUGCRFEBRD-OAQYLSRUSA-N 448.544 5.666 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@@H](C#N)C(=O)c3cc(Cl)ccc3Cl)n2)c1C 1872780654 KNOZLGUUGRCOJQ-KRWDZBQOSA-N 429.372 6.841 30 10 IKEE COc1c(Cl)cc(-c2csc([C@H](C#N)C(=O)Cc3ccc(F)c(C)c3)n2)cc1Cl 1872785363 LIOSTLQBTYCYKR-CQSZACIVSA-N 449.334 5.992 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)Nc1cccc(C(C)(C)C)c1)n2Cc1ccccc1 1873612582 CITYLSCMGUKZMU-UHFFFAOYSA-N 439.563 5.627 30 10 IKEE C(=N/n1c(CCc2cccc3ccccc23)nnc1SCc1ccccc1)\c1cccnc1 1874231920 IQPLIKMOYOKWHN-VUTHCHCSSA-N 449.583 5.786 30 10 IKEE CCCCC1CCC(c2nnc(SCC(=O)OCCC)n2/N=C/c2ccncc2)CC1 1874287160 QOAHAGZRSHTZTL-PCLIKHOPSA-N 443.617 5.065 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2/N=C/c2ccc(O)cc2)cc1 1874355785 BHAITPSVRFSRIK-JVWAILMASA-N 442.588 5.674 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874358563 OEMCIPOOOMOFAU-UVHMKAGCSA-N 444.526 6.055 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccc(C)c(C)c3)n2/N=C/c2ccc[nH]2)c1 1874358570 OKCLUJWHOGAIJG-JFLMPSFJSA-N 429.593 5.605 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2[C@@H](C)c2ccccc2)cc1 1874395479 NNYQYOGCRHZGPH-FQNOVECQSA-N 447.007 6.566 30 10 IKEE Cn1cccc1/C=N/n1c(Cc2ccccc2)nnc1SCc1c(F)cccc1Cl 1874420311 ZPMAMPDAFAOTDX-AFUMVMLFSA-N 439.947 5.174 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2ccccc2Cl)cc1 1874430702 UMYYOIHNTJYOOW-AFUMVMLFSA-N 439.371 6.426 30 10 IKEE Cc1cccc(CSc2nnc([C@H]3CCCO3)n2/N=C/c2ccc(C(C)(C)C)cc2)c1 1874447756 LTRXEJHRNOUYAX-XDEFOSFOSA-N 434.609 5.910 30 10 IKEE CCCSc1nnc([C@H]2CCCO2)n1/N=C/c1ccc(OCc2ccc(C)cc2)cc1 1874449860 NEUYVLNVIUZWMI-NJRDNMGOSA-N 436.581 5.401 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CCOC)nnc2SCc2ccc(C)cc2)cc1 1874469431 FJVZBNRHELSEEP-KOEQRZSOSA-N 438.597 5.129 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1/N=C/c1c(OC)ccc2ccccc12 1874475940 AEWQUDUCEBLKSE-YZSQISJMSA-N 430.577 5.957 30 10 IKEE CC(C)(C)c1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1cccc2ccccc12 1874481265 QMNLMNPZJWQCLJ-WGOQTCKBSA-N 443.576 5.342 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(C)(C)C)n2/N=C/c2cn(C)c3ccccc23)c1 1874484343 QYXVPQMAIBMCJY-VULFUBBASA-N 431.609 5.859 30 10 IKEE CC(C)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1c(F)cccc1Cl 1874512808 QUGSHHGRIXBQHX-LSHDLFTRSA-N 433.896 5.277 30 10 IKEE CCc1nnc(SCc2ccccc2C)n1/N=C/c1cccc(OCc2ccccc2)c1 1874522146 DSBRLAIOYUNSGR-WPWMEQJKSA-N 442.588 5.902 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2c(F)cccc2Cl)nnc1C1CC1 1874522661 FITLMKYPAJCCMJ-DHRITJCHSA-N 444.963 5.911 30 10 IKEE CCCOc1c(/C=N/n2cnnc2SCc2cccc3ccccc23)cccc1OC 1874539826 ZPWUDTSIQMFMQW-CVKSISIWSA-N 432.549 5.403 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc3ccccc3c2)c1OCc1cccc(Cl)c1 1874571530 RZOMFIHWAHZBQH-CCEZHUSRSA-N 428.915 6.977 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)N[C@@H](C)c2ccccc2)c1 1874580482 PQQGYALSIPQOSM-RPAADVPWSA-N 447.962 6.109 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2c(C)cc(C)cc2C)c1OCc1cc(C)ccc1C 1874589876 HNTKCOLDQFVQIE-MDZDMXLPSA-N 448.990 7.366 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2cccc(/C=C/C(=O)c3ccc4ccccc4c3)c2)c1 1874592926 JNUZPTLLKWYWSN-NTCAYCPXSA-N 435.523 6.370 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OCc1ccc(Cl)cc1 1874617432 AXNJTFPWIMIRJF-GXDHUFHOSA-N 446.974 7.169 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc(OC)c(C)c3)ccc2OC)cc1 1874695942 AACCBHGQEOJQGB-AWNIVKPZSA-N 446.499 5.526 30 10 IKEE CC(C)c1ccc(O[C@H](C)C(=O)Oc2cccc(/C=C/C(=O)c3ccc(Cl)cc3)c2)cc1 1874700841 PGPFOQQVOPGLTJ-MERDRXRJSA-N 448.946 6.732 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)C34CC5CC(CC(C5)C3)C4)c2)cc1C 1874717565 BVKHTTFGVCOPDZ-BQYQJAHWSA-N 444.571 6.330 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc(OC)c1OC(=O)C1CCCC1 1875108953 OSBFYAULZIKDPU-ACCUITESSA-N 434.532 5.732 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1 1875110052 QSXVZWIKVJEEKQ-WOJGMQOQSA-N 443.381 7.001 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)c1ccc(F)cc1 1875122915 OWSOGUKCIVPAJL-BIIKFXOESA-N 445.273 6.256 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Br)c1OC(=O)C1CCC1 1875124626 ULLQXASDFRNHMM-CMDGGOBGSA-N 449.728 5.713 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc([N+](=O)[O-])c1OC(=O)Cc1cccs1 1875126744 BDAUCGFBENBXHY-ZHACJKMWSA-N 437.473 5.099 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)c1ccccc1F 1875134329 XEKWQEOBHFBKCQ-WYMLVPIESA-N 444.502 6.295 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)cc2)c1 1875137739 BNPOMPHLENXOGL-KPKJPENVSA-N 425.311 6.726 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc([N+](=O)[O-])c1OC(=O)C1CC1 1875149601 YJUGTCRXWUBDNM-AWNIVKPZSA-N 437.492 5.503 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1cccc2ccccc12 1875179082 RPANGGPVGRFROO-NTCAYCPXSA-N 436.507 6.581 30 10 IKEE Cc1ccc2c(C(=O)N3CCC(COc4cc(C#N)ccn4)CC3)cc3c(C)cccc3c2c1 1891814818 HNSZTUNRIVITBV-UHFFFAOYSA-N 449.554 5.808 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CCC(C#N)(N(C(=O)OC(C)(C)C)C3CCCC3)CC2)C1 1923329007 HNQSBMXIHGXYCU-UHFFFAOYSA-N 433.593 5.240 30 10 IKEE CN(C(=O)OC(C)(C)C)C1CCC(C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)CC1 1953213173 BAKQUJAUUUWCKP-UHFFFAOYSA-N 443.588 5.496 30 10 IKEE CC[C@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)CN1C(=O)OC(C)(C)C 1996579954 QMMQONSMKFAZAB-UUOWRZLLSA-N 429.561 5.500 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@]1(C#N)CC[C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C1 2001955991 OBXUIGXCGOIEJR-YDIMBITNSA-N 435.609 5.341 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@]2(C)CCCN2C(=O)OC(C)(C)C)cc1 2020804713 RZAFPXFMWCSPMA-CYFREDJKSA-N 429.561 5.418 30 10 IKEE COc1cc(C(=O)C=Cc2ccccc2OCc2ccccc2)ccc1SCC(=O)O 2041179950 RSQQZHUBFXJMMR-UHFFFAOYSA-N 434.513 5.347 30 10 IKEE CC[C@@H](CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2053573287 IWNCBADONFSAAW-OVUHRKAWSA-N 428.701 7.204 30 10 IKEE C[C@@H](c1ccc(C(F)(F)F)cc1)n1nc(C2(C)CC2)c(C#N)c1I 2079882115 RQMPIRSJHYUYPX-JTQLQIEISA-N 445.226 5.039 30 10 IKEE CC(C)c1ccc([C@H](C2CCC2)n2nc(C(C)C)c(C#N)c2I)cc1 2079904826 UNJDEZOVAKBNFQ-FQEVSTJZSA-N 447.364 5.996 30 10 IKEE Cc1cc(C)c([C@H](n2nc(C3CC3)c(C#N)c2I)C2(C)CC2)c(C)c1 2080000465 UTLXDAIQPVJNHF-IBGZPJMESA-N 445.348 5.552 30 10 IKEE CCCOc1ccc([C@H](C2CCC2)n2nc(C(F)(F)F)c(C#N)c2Br)cc1 2080078187 PNPQXWLXMSAQQQ-INIZCTEOSA-N 442.279 5.714 30 10 IKEE N#Cc1cc(N)ccc1Nc1cc(Br)c(Br)c(Br)c1 2095445960 OIKZDQJLVNEMNE-UHFFFAOYSA-N 445.940 5.172 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]1(O)CN(Cc2ccccc2)C2(CCCC2)C1 2100072540 WWMVUQNUVAHNDH-PXJZQJOASA-N 448.651 5.077 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCCC12CCNCC2 2144618967 BLFPTIIQJJXZLC-NRFANRHFSA-N 434.378 5.007 30 10 IKEE C=CC1(C[C@@H](NC)[C@@H](Cc2ccc(Br)cc2)NC(=O)OC(C)(C)C)CCC1 2168021889 CAUMWBNINOQXQS-RTBURBONSA-N 437.422 5.219 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCC[C@@]2(C#N)Nc2ccc(Br)cc2)C1 2233756106 XYPVPCOCBHJIAN-KLHJMIIUSA-N 434.378 5.180 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCC[C@@H](C(C)(C)C)C1 2238177521 GNGOYKOLHMJOBB-OPAMFIHVSA-N 435.406 6.689 30 10 IKEE CC(C)(C)CN(Cc1ccccc1)C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1Cl 2255544548 BBBMZUNZAVBVIT-UHFFFAOYSA-N 441.808 5.328 30 10 IKEE CN[C@@H](CC#CC1CCCC1)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2261106895 KYXKSGQUVIWZDG-IGKIAQTJSA-N 440.628 5.002 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)CCCCCN(C)C(=O)OC(C)(C)C 2296273441 PAJPHPYKYYBRGE-FQEVSTJZSA-N 437.422 5.206 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CN(Cc2ccccc2)C(C)(C)C1 2296282978 BCZLIWJJDOENIO-FYYLOGMGSA-N 425.414 5.079 30 10 IKEE C=CCN1C(=O)C(=Cc2ccccc2OCCCOc2cccc(C)c2C)SC1=S 2297624806 QDYLZCQSMVGDKE-UHFFFAOYSA-N 439.602 5.539 30 10 IKEE C=CCN1C(=O)C(=Cc2cccc(OCc3ccc(C)cc3)c2)SC1=Nc1ccccn1 2314541362 KNODCYDOVUBETL-UHFFFAOYSA-N 441.556 5.759 30 10 IKEE COc1ccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C2CC2)cc1O 2320867930 FYLBVTMHCRPGAZ-UHFFFAOYSA-N 449.363 5.351 30 10 IKEE C(=Nn1c(SCc2cccc3ccccc23)nnc1C1CC1)c1cccc2ccccc12 2320873889 GKVXYOZZEAFWBH-UHFFFAOYSA-N 434.568 6.636 30 10 IKEE CCCCCCOc1ccc(C=Nn2cnnc2SCc2ccccc2C)cc1OC 2321238994 ITDCMVSMGSPSQV-UHFFFAOYSA-N 438.597 5.729 30 10 IKEE CCc1ccc(C=Nn2c(CCCOc3ccc(Cl)cc3Cl)nnc2SC)cc1 2321347726 NWJYWDJMEGLIJM-UHFFFAOYSA-N 449.407 5.763 30 10 IKEE COc1ccc2[nH]cc(C=Nn3c(SCc4ccccc4F)nnc3C(F)(F)F)c2c1 2321820381 NRJFLKUWRPBRFI-UHFFFAOYSA-N 449.433 5.100 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCc4cc(Cl)cc5c4OCOC5)cc(C)c3C2=O)c1 2321876763 HNOOKSXPCJAMKC-UHFFFAOYSA-N 448.902 6.019 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2Cl)Oc2c1ccc1c2CN(Cc2ccco2)CO1 2321961975 SKIXRDICUBDLNX-UHFFFAOYSA-N 428.271 5.555 30 10 IKEE Cc1ccc(OCc2nnc(S)n2N=Cc2cccc(Oc3ccccc3)c2)c(C)c1 2322050959 CZLOXCJPRFAWQC-UHFFFAOYSA-N 430.533 5.437 30 10 IKEE Cc1ccc(CCN2COc3cc(C)c4c(c3C2)OC(=Cc2cccc(C)c2)C4=O)cc1 2322223688 YTHBHULYKUFQQN-UHFFFAOYSA-N 425.528 5.623 30 10 IKEE CCCCOCCCN1COc2c(cc3c(c2C)OC(=Cc2cccc(Cl)c2)C3=O)C1 2322391439 ACQNNMFQVJERCF-UHFFFAOYSA-N 441.955 5.623 30 10 IKEE COc1ccc([C@@H](C)N2COc3c(cc4c(c3C)OC(=Cc3cccc(F)c3)C4=O)C2)cc1 2322437248 VTBHTFITWFPGOO-QGZVFWFLSA-N 445.490 5.672 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(C)c1C 2322484153 UXIWKCAYIIQKGL-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE COc1cccc2cc(C(=O)Oc3cc(C)c4c(c3)OC(=Cc3ccc(C)cc3)C4=O)oc12 2322860371 QSZIECUVZQZFSR-UHFFFAOYSA-N 440.451 5.894 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C)c(C)c2)c1OCC(=O)Nc1ccc(C)cc1C 2322900929 APQIUXJGSOKBOR-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE CCc1ccc(NC(=O)COc2cc(C=CC(=O)c3ccccc3Cl)ccc2OC)cc1 2323087610 MEXUJXYCNFCCCA-UHFFFAOYSA-N 449.934 5.825 30 10 IKEE CCCOc1ccccc1C=CC(=O)Oc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O 2323341278 LCRKASLKPABKOT-UHFFFAOYSA-N 444.458 5.850 30 10 IKEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)CCCC[C@@]12CCN(C(=O)OC(C)(C)C)C2 2323466510 LVMIRCPZCQFQMF-IZZNHLLZSA-N 442.600 5.089 30 10 IKEE CCCOc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(CC)cc2)C3=O)c1 2323839610 KDCRGGCHRLRKKY-UHFFFAOYSA-N 442.511 6.182 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1 2323840335 OAUYIYSQAGYCLY-UHFFFAOYSA-N 447.487 5.867 30 10 IKEE CCn1cc(C=C2Oc3c(CN4CCCC[C@H]4C)c(O)cc(C)c3C2=O)c2ccccc21 2324010338 JCCMWLUTSHQUTA-GOSISDBHSA-N 430.548 5.666 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1 2324055337 WHXAYAOQIVRGTN-UHFFFAOYSA-N 439.382 7.766 30 10 IKEE CCCCN(CCCC)Cc1c(O)cc(C)c2c1OC(=Cc1ccc(N(C)C)cc1)C2=O 2324080627 MEHFQOBJBPKDGS-UHFFFAOYSA-N 436.596 5.785 30 10 IKEE CCCCCCOc1cc(C)c2c(c1)OC(=Cc1cc(OC)c(OC)cc1OC)C2=O 2324262004 JOPOWDARGGMYER-UHFFFAOYSA-N 426.509 5.596 30 10 IKEE COc1cc(C=C2Oc3cc(OCCc4ccccc4)cc(C)c3C2=O)cc(OC)c1OC 2324281659 QOBPAKXXGIPDQD-UHFFFAOYSA-N 446.499 5.259 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc(OC)c1OCCC 2324288313 YHZQMURAIZJSDB-UHFFFAOYSA-N 428.528 6.901 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(F)cc2)C3=O)c1 2324455500 GEUDUDGWEQBXNB-QGZVFWFLSA-N 431.463 5.465 30 10 IKEE Cc1ccc(C)c(-c2csc([C@H](C#N)C(=O)C(=Cc3ccccc3)c3ccccc3)n2)c1 2324561038 FNWCNVXORSMZCF-RUZDIDTESA-N 434.564 6.844 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OCc2cccc3ccccc23)cc1 2324570989 GAJPDXJBBPRPSJ-UHFFFAOYSA-N 434.579 7.921 30 10 IKEE CCOc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 2324611634 LMDJOYZGHIVYBK-JOCHJYFZSA-N 430.573 6.396 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)cc(OC)c1OCc1ccccc1 2324651543 CWXIVGKHVLDMJC-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE Cc1c(OCCOc2cccc3ccccc23)ccc2c1OC(=Cc1cccs1)C2=O 2324694120 SZZYJAJCHWPWBF-UHFFFAOYSA-N 428.509 6.284 30 10 IKEE Fc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 2325440379 JRVIIMPLIDUDJX-UHFFFAOYSA-N 434.515 5.516 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(F)cc1 2325535483 IEVQPGXIOSFICT-UHFFFAOYSA-N 437.371 6.241 30 10 IKEE CCOc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(Cl)cc3Cl)c2)cc1 2325709146 DJYRVFQSAZHCTQ-UHFFFAOYSA-N 441.310 6.507 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCC(=O)Nc4ccc(Cl)cc4C)ccc3C2=O)c1 2325716283 QSQUUNDBWDXLNP-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccccc1F)C2=O 2325737496 RXYLSVCTLUGZIO-UHFFFAOYSA-N 431.463 5.330 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2cccc(OC(=O)CSc3ccccc3)c2)cc1 2325746640 ZRFQQUDNXQHWCL-UHFFFAOYSA-N 430.569 6.578 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC(=O)c2sccc2C)c1 2325752613 NUFFEZMUEBGKAS-UHFFFAOYSA-N 434.557 6.478 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cc(Br)c(O)c(Br)c1 2325795837 PVHKYCUXPLCMFJ-UHFFFAOYSA-N 440.131 5.439 30 10 IKEE CCCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1N=Cc1ccccn1 2325860236 XQWOPFLFMMIWIO-UHFFFAOYSA-N 437.613 5.367 30 10 IKEE CSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1cccc2ccccc12 2325901918 VFYYTVOZAFZYKA-UHFFFAOYSA-N 444.604 6.220 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CCCOc2ccc(Cl)cc2)nnc1SC 2325973228 MYLCYYFCVUTCIM-UHFFFAOYSA-N 442.972 5.112 30 10 IKEE CCCSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1cccc(F)c1 2326399130 ORLYOSDEWZILSE-UHFFFAOYSA-N 426.561 5.430 30 10 IKEE Cc1cc(C)cc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccc(Cl)cc2)c1 2326426200 FCIOTQSWYHHQJI-UHFFFAOYSA-N 447.007 6.314 30 10 IKEE CCSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1cn(C)c2ccccc12 2327175145 TYOYDSOPFWDWBN-UHFFFAOYSA-N 433.581 5.084 30 10 IKEE CCCSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccc(C(C)(C)C)cc1 2327880763 XDTBOUXVVPRVLU-GOSISDBHSA-N 441.645 5.074 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1cccc(OCCC)c1 2328179330 SVJZSITXAYQTIB-UHFFFAOYSA-N 440.657 6.691 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccco2)cc1 2328563935 AOAAEEAUOURLKK-UHFFFAOYSA-N 436.512 5.174 30 10 IKEE C=CCSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1c(F)cccc1Cl 2328568603 XOKXEPSCKLFMQN-UHFFFAOYSA-N 430.936 5.220 30 10 IKEE C=CCSc1nnc(COc2cccc(C)c2C)n1N=Cc1ccc(C(F)(F)F)cc1 2328857578 SUSSXWZLTSKDMF-UHFFFAOYSA-N 446.498 5.653 30 10 IKEE Fc1ccc(C=Nn2c(Cc3ccccc3F)nnc2SCc2ccccc2F)cc1 2329745817 ZXZPCZNEUIDGDO-UHFFFAOYSA-N 438.478 5.461 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@@H](C)c3ccccc3)n2N=Cc2ccccc2C)c1 2330109294 YAVDZAKQXVTKOE-QFIPXVFZSA-N 440.616 6.530 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@@H](C)c3ccccc3)n2N=Cc2sccc2C)c1 2330131283 FCTAIXKDURFSFP-FQEVSTJZSA-N 446.645 6.591 30 10 IKEE CCCCOc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCC)cc1OC 2330186227 NIEIBXZDPWVHRE-UHFFFAOYSA-N 438.597 5.245 30 10 IKEE Fc1ccccc1CSc1nnc(-c2cccs2)n1N=Cc1c[nH]c2ccccc12 2330583452 AIYNMBUQVQQNPZ-UHFFFAOYSA-N 433.537 5.802 30 10 IKEE CCOc1cc(C=Nn2c(SCc3ccc(F)cc3)nnc2-c2ccccc2)ccc1O 2330641158 XVGRYDDOPWBAAU-UHFFFAOYSA-N 448.523 5.363 30 10 IKEE COc1ccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2-c2ccccc2)cc1O 2330672855 AGUUSSXAZIOADF-UHFFFAOYSA-N 444.560 5.451 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(CC(C)(C)C)n2N=Cc2sccc2C)c1 2330821096 CSMROHSCPGCVLZ-UHFFFAOYSA-N 441.626 5.158 30 10 IKEE Cn1cccc1C=Nn1c(CC(C)(C)C)nnc1SCc1c(Cl)cccc1Cl 2330858196 IHFQTYALVCWWNW-UHFFFAOYSA-N 436.412 5.687 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)[C@H](C)c1ccccc1 2331259670 KPRBSLOHVFQAJI-LJQANCHMSA-N 430.500 5.617 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccnc3)c([N+](=O)[O-])c2)cc1 2331416938 RATJNOFUQUSPNZ-UHFFFAOYSA-N 430.460 5.403 30 10 IKEE Cc1cccc(CSc2nnc(CC(C)C)n2N=Cc2ccc(Cl)c(Cl)c2)c1 2331440432 RPKDFSMFMPCXDI-UHFFFAOYSA-N 433.408 6.266 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1 2331469937 OKZDUUISENRAKM-UHFFFAOYSA-N 442.898 6.617 30 10 IKEE CSCCCC(=O)Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1[N+](=O)[O-] 2331474764 IRCAUUVNRPWCMZ-UHFFFAOYSA-N 435.501 5.693 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)Cc1ccccc1F 2331508619 HYGOWGZUDMXSDR-UHFFFAOYSA-N 432.491 6.002 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CCC2)cc1 2331539788 UWRYYIDTSANUGY-UHFFFAOYSA-N 439.028 6.671 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(F)c3)cc2Cl)c1 2331557050 RIEOMOZLZOVNRN-UHFFFAOYSA-N 440.873 6.279 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)c(F)c2)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 2331562400 WOULKANFLXSPBP-UHFFFAOYSA-N 445.324 5.267 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)c1cccc(F)c1 2331632246 LOICVCVSJWMKJC-UHFFFAOYSA-N 434.463 5.575 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(C3CC3)n2N=Cc2ccc(C(F)(F)F)cc2)cc1 2331734486 PSGRGDPNTJBNHE-UHFFFAOYSA-N 447.442 5.257 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc(OC)c1OC(=O)C(C)C 2331758985 BQHZNSBHVCFNGR-UHFFFAOYSA-N 442.939 5.852 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)c(OC)cc2C)ccc1OC(=O)c1ccccc1C 2331852613 UYZKCDQBAXLABK-UHFFFAOYSA-N 444.527 6.134 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@H](C#N)c1c(Cl)ccc(Cl)c1Cl 2364580588 TTWQCJQZFKXHAN-OAHLLOKOSA-N 446.161 7.307 30 10 IKEE COc1cccc(/N=C(\SCc2c(C)c(C)c(C)c(C)c2C)N(CCC#N)CCC#N)c1 20413999 ICMITAIQPYGNJJ-WCTVFOPTSA-N 448.636 6.288 30 10 IKEE COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(OC)c2O)c1 21235734 VBAPPWJIOWARIS-MRDQGFSESA-N 442.515 5.389 30 10 IKEE CC(C)Oc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2F)cc1 21252704 BAEWEHMOTNBTJI-VKGTZQKMSA-N 442.534 6.592 30 10 IKEE COc1ccc(C(=O)C2=CN(c3cccc(Cl)c3)c3cc(F)ccc3S2(=O)=O)cc1 32984382 BUZJYTWCIONZDE-UHFFFAOYSA-N 443.883 5.137 30 10 IKEE O=C1NC(=N/c2ccc(F)cc2)/C(=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)S1 33567627 ZVBLTFJBHCQSJK-ZDLGFXPLSA-N 433.291 6.920 30 10 IKEE COc1ccc(/C=C\C(=O)c2ccc3ccccc3c2O)cc1COc1cccc(C)c1C 33920522 FIDBMWCMAPYQQU-PTNGSMBKSA-N 438.523 6.646 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C/c1cccc(Br)c1)C2=O)c1cccs1 34882167 SYTLBLXMSPZHGW-LICLKQGHSA-N 427.275 5.346 30 10 IKEE CCOc1ccc2oc(C)c(C(=O)Oc3ccccc3/C=C/C(=O)c3ccc(C)cc3)c2c1 34954963 AFDANKXEEDPZBL-FYWRMAATSA-N 440.495 6.564 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCc4ccc(Cl)cc4Cl)ccc3C2=O)cc1 39754094 XIZPJHHXZZOXNY-KSEXSDGBSA-N 441.310 6.587 30 10 IKEE Cc1csc(/N=C2/S/C(=C\c3c(F)cccc3Cl)C(=O)N2c2ccccc2)n1 39865556 DZJNAMQYMBLKLM-YEKZGRKESA-N 429.929 6.053 30 10 IKEE C=CCc1ccc(OCCn2c(/C=C/c3ccc(OC)cc3)nc3ccccc32)c(OC)c1 40238439 MJSHNZNJNIYSAM-GHRIWEEISA-N 440.543 6.031 30 10 IKEE C=CCc1ccccc1OCCn1c(CNC(=O)c2cccc(C)c2)nc2ccccc21 40276943 ZUMRRNZHMGFRTL-UHFFFAOYSA-N 425.532 5.082 30 10 IKEE Cc1c(OCc2ccc([N+](=O)[O-])cc2)ccc2c1O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 41501479 NODYYEQOYPDQIE-IWIPYMOSSA-N 443.499 6.396 30 10 IKEE O=[N+]([O-])c1ccc2nc(/N=C/c3ccc(Sc4cccc5cccnc45)o3)sc2c1 59382365 PKHCSUXUZRYQPB-FSJBWODESA-N 432.486 6.248 30 10 IKEE C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3cccc(OC)c3OC(C)C)c12 98001136 JPNYFBISCKGSCB-PFONDFGASA-N 429.520 5.475 30 10 IKEE CCCCCCCCc1ccc(-c2ccc(N3C(=O)c4ccc(Cl)cc4C3=O)cc2)cc1 100480710 UPVAIGCKZOFSLO-UHFFFAOYSA-N 445.990 7.711 30 10 IKEE CCCCCCCCOc1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1 100972474 DLRNUPUMYZTWTJ-UHFFFAOYSA-N 434.374 6.206 30 10 IKEE CCCCCCCCCCCCn1c([C@@H](C)NC(=O)c2ccccc2C)nc2ccccc21 102114198 ZLKZDCAZDVPQBZ-XMMPIXPASA-N 447.667 7.757 30 10 IKEE CCCCCCCCCCn1c(CNC(=O)c2cccc(Cl)c2)nc2ccccc21 102219236 BZJVYOKGCVMKBR-UHFFFAOYSA-N 426.004 6.760 30 10 IKEE CC(C)Oc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)[C@H]2c2cccc(Cl)c2)cc1 102910253 UJHPSZJFOCZCPG-VFJWVMJUSA-N 448.906 5.149 30 10 IKEE O=C1/C(=C\c2ccc(N3CCCCC3)o2)S/C(=N\C2CCCCC2)N1C1CCCCC1 105920454 YMARKAUCJQUIKU-OTPOTBIMSA-N 441.641 6.208 30 10 IKEE CCCN1C(=S)N[C@H](c2cc(Cl)c(OCC(C)C)c(Cl)c2)C(C(C)=O)=C1C 169930215 RUOQFXZFEMEWIT-GOSISDBHSA-N 429.413 5.532 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccc(C)c(C)c2)c1 169932551 UFYQPTZMWVEODG-RUZDIDTESA-N 441.527 5.712 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2ccc(O)cc2)cc1 169964957 MRGPFYYHXIOEGI-XMMPIXPASA-N 427.500 5.096 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2)c1 170047100 RKSPQXOTXOCXDR-HSZRJFAPSA-N 431.463 5.397 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccc(F)cc2)c(C)c1 170061226 VMOLJYFXZMBVEB-XMMPIXPASA-N 445.490 5.542 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(F)cc2)c1 170061332 HMEZBHFBDVQTQI-XMMPIXPASA-N 441.458 5.972 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(C(C)C)cc2)cc1 170066506 CIXUOGJTMFLVON-VWNXMTODSA-N 433.548 5.130 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)C)cc2)cc1 170067762 DSRJBLFJYRBKJC-VWLOTQADSA-N 440.543 5.546 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2Cc2cccnc2)c1 170144748 GFDVYHNOMPFGLX-RUZDIDTESA-N 434.495 5.322 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@H]1c1ccc(OC(C)C)cc1 170152344 YFJBRZONNKOQFQ-OAQYLSRUSA-N 443.927 5.124 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@@H]1c1ccc(OC(C)C)cc1 170152438 ZDXVEEMETQXNSR-NRFANRHFSA-N 443.927 5.124 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2cccs2)cc1 170159496 KAAJSEDRPHAQHY-JOCHJYFZSA-N 433.529 5.627 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccccn2)c1 170171930 BUECGEMMMOWLRX-DEOSSOPVSA-N 442.515 5.270 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2)cc1Cl 170227131 DXNMYSYTEGNILJ-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1c[nH]c2ccccc12 170256172 LFFBSIMOAZOEPY-RUZDIDTESA-N 438.527 6.090 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccccc1C 170271008 CXOCXURZEZJREG-JOCHJYFZSA-N 435.426 5.065 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@@H]1c1ccccc1C 170277227 IYAHYBBMQJSRHK-FQEVSTJZSA-N 432.545 5.415 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccco2)cc1C(C)C 170281586 GCYRZUKXIOKDFT-HSZRJFAPSA-N 449.478 5.642 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1ccc(F)cc1 170313953 KEOJAHOGUNILAI-GOSISDBHSA-N 427.884 5.632 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2sccc2C)c1 170315409 HPLSHFMFDOCISH-OAQYLSRUSA-N 433.529 5.547 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 170346098 ALAOCLNYDPPXRL-QFIPXVFZSA-N 431.488 5.369 30 10 IKEE CCCCCCCC/C=C/CCCCCCCC(=O)NCCc1c[nH]c2ccc(O)cc12 199411831 LCQKHZYXPCLVBI-MDZDMXLPSA-N 440.672 7.570 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)SC1=Nc1ccc(C)c(C)c1 252619875 LTLKXHYORSIHQV-UYJNXHFOSA-N 442.584 6.506 30 10 IKEE Cc1ccc(N=C2S/C(=C3\Sc4ccccc4N3C)C(=O)N2C2CCCCC2)cc1C 254521286 HNEYUFJSHOMZMI-VUQCETKJSA-N 449.645 6.610 30 10 IKEE N#Cc1ccc(Cl)cc1Nc1cc(Br)ccc1I 306042670 YZVKEAKXVZLXKA-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)c(Cl)c1F 407166069 AQMCLNQWUJTMKX-WMLDXEAASA-N 447.776 5.199 30 10 IKEE CCOc1ccc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1Cl 526488655 LNULDFAFNOVZKG-OAQYLSRUSA-N 436.920 5.729 30 10 IKEE CCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1cn(C)c2ccccc12 526806540 ZLDKWRVWIAGSAK-YSMPRRRNSA-N 431.609 5.804 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccc(OCC(C)C)cc1 526807346 WKOPJEICLRYMRI-CFRMEGHHSA-N 428.989 5.703 30 10 IKEE C=C(C)CN(c1ccc(Br)c(C)c1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586251068 GOIGEEIHUKWJJF-UHFFFAOYSA-N 436.415 5.826 30 10 IKEE N#Cc1ccccc1NC(=O)c1cccc(NC(=O)N2CCC(Cc3ccccc3)CC2)c1 586672103 CTDVFNKDSMGCAY-UHFFFAOYSA-N 438.531 5.297 30 10 IKEE C=CCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@H]1[C@@H]1CCCCN1C(=O)OC(C)(C)C 710726851 SFMNOUXCLWPYHN-JXQFQVJHSA-N 433.593 5.262 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCO[C@H](C(C)(C)C)C1 721576035 OIEGMNAKBFOQGS-UWJYYQICSA-N 437.378 5.678 30 10 IKEE Fc1cc(Br)ccc1CO/N=C(/c1ccc(Br)cc1)C1CC1 821234222 VDCJFSBISQKDSO-HEHNFIMWSA-N 427.111 5.682 30 10 IKEE O=C1NC(=Nc2ccc(F)cc2)S/C1=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 1084184795 GZASRQOAILNPRB-BKUYFWCQSA-N 449.463 5.205 30 10 IKEE Clc1ccccc1CSc1n[nH]c(NN=Cc2c3ccccc3cc3ccccc23)n1 1084428107 DPICLBSFEUEENZ-UHFFFAOYSA-N 443.963 6.503 30 10 IKEE C[C@H](NC(=O)N[C@H](C)c1ccc2nc(O)oc2c1)c1ccc(-c2cccc(C#N)c2)cc1 1312478603 HRPYOPQQIRKFPX-JKSUJKDBSA-N 426.476 5.193 30 10 IKEE C[C@H]1C/C(=N/c2ccc(F)cc2)c2cc(F)ccc2N1C(=O)c1ccc(C(F)(F)F)cc1 1615950074 RELHSXCNXSPQOF-VNCJJGDZSA-N 444.403 6.543 30 10 IKEE CC(=O)c1cccc(NC(=O)c2oc3c(c2C)C(=NNc2ccccc2)CC(C)(C)C3)c1 1772729563 UQQYMZHADYXYIU-UHFFFAOYSA-N 429.520 5.832 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(-c3ccccc3Cl)o2)SC1=Nc1nccs1 1772737174 WSQSEIHQJQIZQB-ZTPJVXOPSA-N 427.938 5.847 30 10 IKEE COc1ccc(N=C2S/C(=C/C=C/c3ccco3)C(=O)N2c2ccc(OC)cc2)cc1 1772742881 DDPDOTMKVXESKA-LQWSTRPQSA-N 432.501 5.662 30 10 IKEE N#Cc1cccc(C(=O)Nc2ccc(Cl)c(NC(=O)c3ccc(Cl)c(Cl)c3)c2)c1 1860461557 GMTCECDZPRPEDL-UHFFFAOYSA-N 444.705 6.023 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] 1861130207 PYOYQRZWRPZBSM-IKPXGLPCSA-N 431.577 5.150 30 10 IKEE CCCCCCCCNC(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc(Cl)c(Cl)c1 1861572694 DXRUAEGFAPFPBX-VSFZPWCASA-N 425.400 5.474 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1c(Cl)cccc1Cl 1862442562 FTVDJYDXYZQNJR-GOSISDBHSA-N 438.738 5.881 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2CCC(C)C)cc1 1862460008 QSIOEJVZEAPQLK-NRFANRHFSA-N 447.453 5.127 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccccc1Cl 1862470369 MECFFMVAQHRWSN-XIKOKIGWSA-N 448.744 5.479 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@@H]2c2cccc(F)c2)cc1 1862473686 DZSYCEZCKKURRL-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862477644 ZIWUTZLKBFYGPJ-MHECFPHRSA-N 427.500 5.343 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccccc1F 1862530049 MTAHFDTZLYYOPX-GBXCKJPGSA-N 437.555 6.325 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2ccccc2F)cc1 1862530417 QKDWYXOHBNLVBU-VWLOTQADSA-N 443.518 5.599 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN(CC)CC)[C@@H]2c2ccc(C)cc2)cc1 1862532200 FTBIXAMBXSJDJL-RUZDIDTESA-N 448.607 5.258 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(C)cc1 1862581092 YOMDUQPTMASYSB-FQEVSTJZSA-N 432.347 6.070 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(Cl)cc1 1862583985 NTCFKYBBGCNENX-SFHVURJKSA-N 438.738 5.881 30 10 IKEE CCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(C)cc1 1862589479 LTZDXSRKZLERDA-VWLOTQADSA-N 449.591 6.420 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1cccc2ccccc12)c1cccc(O)c1 1862592435 CTJMZCUOJDSPMB-VWLOTQADSA-N 441.527 5.847 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)cc1 1862595810 QAERHECBFMTVQT-VXWZWFMZSA-N 433.548 5.673 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C2CCCC2)cc1 1862631480 PWRKCSRLJMNSGX-HSZRJFAPSA-N 447.531 5.234 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc2c(c1)CCCN2C 1862658420 QPQADHQIILOFNI-RUZDIDTESA-N 440.543 5.209 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2ccccc2Cl)cc1 1862659992 DICZHXIPSGSNEO-JOCHJYFZSA-N 441.955 5.204 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(C(=O)O)cc1 1862664713 PORNLIUEWYCGHL-QFIPXVFZSA-N 435.520 5.277 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccc(Cl)cc2)cc1 1862672349 AYIROKYEMJNXRA-QHCPKHFHSA-N 449.909 5.820 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc(OC)c1 1862672744 GDWYQOSJJTUDFH-OFNKIYASSA-N 439.527 5.772 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 1862678876 WHNXIAPJSJIOCB-HSZRJFAPSA-N 444.506 5.297 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCC(C)C)cc1 1862695116 ANGNMWDWVGKAKH-HSZRJFAPSA-N 437.536 5.108 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2cccc(OC)c2)c1 1862703688 XKHPEBQYYRBPFN-BXKMTCNYSA-N 443.499 5.043 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2cccc(OC)c2)c1 1862703689 XKHPEBQYYRBPFN-MZNJEOGPSA-N 443.499 5.043 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(CC)cc1 1862703702 XTBAFWFDNUIQAD-DHLKQENFSA-N 449.591 6.195 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1Cl)c1ccc2ccccc2c1 1862711762 BXEFYJQSPJKBJX-HSZRJFAPSA-N 443.886 5.865 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc2ccccc12 1862719187 IXQVBZAAGVDMMX-MHZLTWQESA-N 449.550 6.762 30 10 IKEE COC(=O)c1c(NC(=O)/C=C/C(=O)c2cccc(OC)c2)sc(C)c1-c1ccc(C)cc1 1866232969 HQWDRKDIMBDOHX-OUKQBFOZSA-N 449.528 5.205 30 10 IKEE CCCC[C@@H](NC(=O)C[C@H](c1ccc(Cl)cc1)C(C)C)C(=O)Nc1ccccc1C#N 1866760645 GODRVUWYIWBMOW-JTHBVZDNSA-N 439.987 5.655 30 10 IKEE COCCc1nc(Nc2ccc(C#N)cc2)cc(N2CCC[C@@H]2Cc2ccc(Cl)cc2)n1 1868266139 SZVQNYGJCBTAOS-JOCHJYFZSA-N 447.970 5.146 30 10 IKEE C[C@H]1CN(c2cc(Nc3ccc(C#N)cc3)nc(-c3ccc(Cl)cc3)n2)C(C)(C)CO1 1868442556 TYOWVUCLGJNGBB-INIZCTEOSA-N 433.943 5.416 30 10 IKEE CCCCCCCOc1cn(C[C@@H](C)O)c(CSc2nc3ccccc3s2)cc1=O 1870251582 LSHXVLKLCJSPMQ-QGZVFWFLSA-N 446.638 5.480 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(Cl)cc2)c(CSC(C)(C)C)cc1=O 1870259941 QEHSQAHGLXQJON-UHFFFAOYSA-N 436.061 6.931 30 10 IKEE CCCCCCCOc1cn(CCc2ccc(C)cc2)c(CN2CCC(C)CC2)cc1=O 1870410757 DSCUEKVWZIYTEB-UHFFFAOYSA-N 438.656 5.981 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2F)c(CN(CCC)CCC)cc1=O 1870416902 VCGKUWLGNRAXTG-UHFFFAOYSA-N 430.608 6.007 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(C)cc2)c(CNc2ccc(C)c(C)c2)cc1=O 1870839244 CPCFWJXWJCDVOH-UHFFFAOYSA-N 446.635 6.783 30 10 IKEE C#CCOc1cn(CCc2c[nH]c3ccccc23)c(CNc2cccc(Cl)c2C)cc1=O 1871006642 PHESKPCHQWOXEL-UHFFFAOYSA-N 445.950 5.158 30 10 IKEE C#CCOc1cn(CCc2c[nH]c3ccccc23)c(CNc2ccc(Cl)cc2C)cc1=O 1871006828 YBNXUZPFNBBVOE-UHFFFAOYSA-N 445.950 5.158 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc([N+](=O)[O-])cc1)C3=O)CN(CCC1=CCCCC1)CO2 1871355050 PBSRMTSUTWYYEH-QRVIBDJDSA-N 446.503 5.562 30 10 IKEE Cc1cccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3cc(C)ccc3C)C4)C2=O)c1 1871355603 PKADAKORPLDGMK-ROTLSHHCSA-N 425.528 5.889 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4C)ccc3C2=O)cc1 1871372416 QDOSKBBWKBKTJU-QRVIBDJDSA-N 429.428 5.301 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)cc(C)c3C2=O)cc1 1871375201 YOMNOWGQMYEMNZ-ZLWWARENSA-N 444.914 6.446 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4cccc5ccccc45)cc(C)c3C2=O)cc1 1871377805 FBQSLRCGCLQRJP-MYYYXRDXSA-N 436.463 5.992 30 10 IKEE CC(C)Oc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)c1 1871387164 HZSOBIHSCVEZCH-FMCGGJTJSA-N 445.427 5.217 30 10 IKEE COc1ccc2c(c1)c(/C=C1\Oc3cc(OCCc4ccccc4)cc(C)c3C1=O)cn2C 1871400192 NQNFOPDDYKTFOO-WGARJPEWSA-N 439.511 5.733 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)cc1 1871407440 LJQLQYBMXDKFSS-SDPDQUOZSA-N 442.515 5.083 30 10 IKEE COc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871457042 LWRLKZFOVODAFX-UUYOSTAYSA-N 449.890 5.291 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)c1C 1871458978 JLUKBPBYAFLFMK-FMCGGJTJSA-N 433.891 5.591 30 10 IKEE CCCCCCCCN=c1nc(N2CCCCCC2)[nH]c(=Nc2cccc(Cl)c2)[nH]1 1871647939 QHSGCMRANABCMV-UHFFFAOYSA-N 431.028 5.265 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(Nc2ccccc2)cc1)[C@@H](C)CC)S(=O)(=O)CCC 1872157509 KVSAPVUTZCUVCG-CVDCTZTESA-N 443.613 5.011 30 10 IKEE C=CCN([C@H](C(=O)Nc1cccc(C)c1)[C@H](C)CC)S(=O)(=O)c1c(C)cc(C)cc1C 1872268139 QIDYWQSCMPCZQQ-XXBNENTESA-N 442.625 5.150 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 1872765418 OIOUMSWAKVPHOQ-SFHVURJKSA-N 439.924 6.204 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3c(C)cccc3C)n2)c(C)c1C 1872779031 ZYDQFQLQBZVZOW-NRFANRHFSA-N 448.588 6.088 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc([N+](=O)[O-])cc3)n2)c(OCC)c1 1872783926 LQIUOMKMLWJHRH-GOSISDBHSA-N 437.477 5.006 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)c(Cl)c3)n2)cc1Cl 1872785245 JFATVXHUCATOQX-LBPRGKRZSA-N 437.735 6.269 30 10 IKEE CCCCCCCCNC(=O)c1ccc(CN2CCN(c3ccccc3F)CC2)cc1 1872881894 QNCISZXQUDTAAC-UHFFFAOYSA-N 425.592 5.238 30 10 IKEE N#Cc1ccc(NC2=C(c3ccc(-c4ccccc4)cc3)C(=O)N(Cc3ccco3)C2=O)cc1 1873272686 UUPBLEVXRSCIJB-UHFFFAOYSA-N 445.478 5.210 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cccc([N+](=O)[O-])c2)=C(c2ccccc2)C1=O 1873413386 ZTNUVGVEZDECRP-UHFFFAOYSA-N 449.551 5.928 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1cccnc1 1874202491 FFDGOACZNYBLHD-VULFUBBASA-N 435.597 5.408 30 10 IKEE CCCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccc(O)cc1 1874217704 HRQCRCWBRAAGAP-FSJBWODESA-N 430.961 5.217 30 10 IKEE COc1ccccc1CCc1nnc(SCc2ccccc2)n1/N=C/c1cccc(C)c1 1874314510 XLORUTYXPOHGPP-OVVQPSECSA-N 442.588 5.555 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2ccc(O)cc2O)cc1 1874387486 PRMVPZUOKJSVSD-CVKSISIWSA-N 444.560 5.071 30 10 IKEE COc1ccccc1/C=N/n1c(Cc2cccs2)nnc1SCc1cccc(F)c1 1874411672 GTBICFIEOZVXDI-ZVHZXABRSA-N 438.553 5.253 30 10 IKEE Cc1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2c[nH]c3ccccc23)cc1 1874420350 HYVDKLULSOQFSF-AFUMVMLFSA-N 429.574 5.971 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874437372 XSWDGMVPPNMABP-YDZHTSKRSA-N 427.505 5.089 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2ccccc2C)nnc1[C@@H]1CCCO1 1874444045 RDDDLXJWNSQHQF-LWROZRRASA-N 436.581 5.401 30 10 IKEE Clc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2[C@@H]2CCCO2)cc1Cl 1874448954 PAYRLBGGPFSQFP-OEBVFIGYSA-N 447.391 5.653 30 10 IKEE Fc1cccc(CSc2nnc(-c3ccco3)n2/N=C/c2ccc(C(F)(F)F)cc2)c1 1874465845 DHTKGTMXESTAGH-RPPGKUMJSA-N 446.429 5.871 30 10 IKEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3cccc(C)c3C)nnc2C(C)(C)C)c1 1874483280 NQQILAKTDQHENP-AFUMVMLFSA-N 435.597 5.114 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2cccc(Cl)c2)nnc1C(C)(C)C 1874485711 JHABOOAGPNCDCI-MFKUBSTISA-N 441.000 5.968 30 10 IKEE CCOc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2ccccc2Cl)cc1 1874489723 GYHHHWDNYFVQNL-ZVHZXABRSA-N 428.989 5.703 30 10 IKEE Cc1cccc(CSc2nnc(C(C)C)n2/N=C/c2ccc(Br)cc2)c1 1874511771 OQVYUTFHYOCLMT-WSDLNYQXSA-N 429.387 5.647 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C(C)C)cc1 1874515495 AMBCGLKEPUTACR-MFKUBSTISA-N 442.032 6.076 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc2c(c1)OCCO2 1874527753 DKAFUDFTPJLXKT-FOKLQQMPSA-N 449.363 5.093 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc(F)cc1F 1874528144 VCPBXPCRINKACW-NUGSKGIGSA-N 427.307 5.600 30 10 IKEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1ccccc1Cl)NCc1ccco1 1874575151 YIGPKHMBMWZZAR-VQHVLOKHSA-N 430.287 5.178 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1cccc2ccccc12)c1cccc(Cl)c1 1874577323 ISFVHFUOGSKMEE-ACCUITESSA-N 433.334 7.622 30 10 IKEE C=CCOc1ccc2ccccc2c1/C=C/C(=O)c1ccc(OCCCCCCC)cc1 1874584616 XJISSXSGKVPOEN-VHEBQXMUSA-N 428.572 7.650 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(F)c(F)c2)c1OCc1ccc(Cl)cc1 1874584892 GPXGZPZDMKYCSM-WEVVVXLNSA-N 449.280 6.755 30 10 IKEE CCCNC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1c(C)c(C)cc(C)c1C 1874587023 QNEKDOGVUQBLST-OUKQBFOZSA-N 429.560 5.875 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OCc1c(Cl)cccc1Cl 1874595357 HKUHWTPJYBVYTF-CSKARUKUSA-N 447.745 7.131 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1C 1874607973 PONVTCIYXYNDKQ-KPKJPENVSA-N 445.515 5.234 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCCCO)c(Cl)c2)cc1OCCC 1874612922 SHGXDASLFCTVQF-RMKNXTFCSA-N 432.944 5.575 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc(OC)c1OCc1ccccc1C 1874620544 GVSVPPCLKMBNSF-CSKARUKUSA-N 446.499 5.259 30 10 IKEE CCCCCCOc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(F)cc3)c2)cc1 1874708415 BOLKFXXBUSLVEO-GIJQJNRQSA-N 446.518 6.900 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)COc3ccc(Cl)c(C)c3)c2)c(C)c1 1874716199 GUOSQKHIXHTVDM-DHZHZOJOSA-N 448.946 6.454 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)c1cccc([N+](=O)[O-])c1 1875084936 HXURUTVTXZMZKS-IZZDOVSWSA-N 442.254 6.017 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)CCc1ccccc1C 1875095121 ZUYBLHXRYCXPGW-JLHYYAGUSA-N 445.471 5.346 30 10 IKEE O=C(COCc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1 1875097023 QTDRZJHWHKIIEN-SFQUDFHCSA-N 426.512 5.584 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccccc1Cl 1875111685 NYAKAEKBCWCWTF-KPKJPENVSA-N 431.702 6.762 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC(=O)Cc1ccc(F)c(C)c1 1875122206 HYQQFXRTAOTDKY-RUDMXATFSA-N 440.417 5.465 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)c1ccco1 1875126336 BYIQRCSFHGHICN-BJMVGYQFSA-N 431.271 6.100 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(C)cc3C)cc2)cc1 1875129543 IBHDGHGOHDINPO-OVCLIPMQSA-N 430.500 5.583 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2)cc1 1875131392 WBXGNGDLSWGZBB-LDADJPATSA-N 442.555 6.527 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1ccccc1F 1875136307 IUNGVBUGWJOUHV-NTCAYCPXSA-N 430.475 5.987 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)CC(C)(C)C)c(OC)c2)cc1 1875137605 VLAARTGXSSXWDV-MDWZMJQESA-N 440.536 5.730 30 10 IKEE CSCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1Br 1875158474 XUTZIUCXSSZVSK-ONNFQVAWSA-N 437.330 5.533 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1 1875168559 JKGFXLOXSDKQHJ-DTQAZKPQSA-N 442.555 6.363 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OC(=O)c3c(F)cccc3Cl)cc2)c1C 1875168768 TUOZIUMFZCLXBO-JLHYYAGUSA-N 436.910 6.828 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3cc(C)cc(C)c3OC)cc2)cc1 1875169156 CKMCZKKHBVTWIH-OQLLNIDSSA-N 444.527 5.755 30 10 IKEE C=CCn1c(C(=O)N(CCCC)CCCC)cc2c(NCc3ccc(OC)cc3)ncnc21 1875231554 SQQRIENVJNZSBD-UHFFFAOYSA-N 449.599 5.280 30 10 IKEE O=C(Cc1cc(F)ccc1C(F)(F)F)Nc1cc(Br)cc(C(F)(F)F)c1 1889893476 DQDABIWJEJGILX-UHFFFAOYSA-N 444.144 5.807 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cc(Cl)sc3Cl)ccc21 1890298731 HJYMOOLXFZWILT-UHFFFAOYSA-N 425.337 5.245 30 10 IKEE C=CCC[C@@H](COc1cc(Br)ccc1C(F)(F)F)NC(=O)OC(C)(C)C 1903150770 AESMNPLXCCEJFX-ZDUSSCGKSA-N 438.284 5.706 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(C1)CC(C#N)(N(Cc1ccccc1)C(=O)OC(C)(C)C)C2 1917713163 UBCGPFOOVVZTSE-UHFFFAOYSA-N 441.572 5.107 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1C[C@H]2CC[C@H]1N(C(=O)OC(C)(C)C)C2 1922085217 HCXYXZLBFAFURU-QPXUXIHVSA-N 428.617 5.163 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)C23CC3)cc1 1925709792 RNQJOPZQVIFARI-XMMPIXPASA-N 427.545 5.172 30 10 IKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C#N)c1c(Br)cccc1Br 1938365207 NZEBVBBZKQFEMG-RISCZKNCSA-N 446.183 5.812 30 10 IKEE CN(C[C@@](C#N)(N(C(=O)OC(C)(C)C)c1ccccc1)C(C)(C)C)C(=O)OC(C)(C)C 1944385770 MHVYMTVRNOVKRG-XMMPIXPASA-N 431.577 5.603 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1(C)C 1947966565 AHLDHUKSTADMRU-XMMPIXPASA-N 435.609 5.628 30 10 IKEE C#CC[C@H](C)CN(C)C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC 1991290104 YGVOEVZIWMXQRL-CUVVAGTFSA-N 446.591 5.058 30 10 IKEE CC#CCCCC[C@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 2019508508 JCYFHDZWQYXNET-DNQXCXABSA-N 430.633 5.439 30 10 IKEE C=CCCCCCCCC[C@@H](N)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2026312752 JNBMCYIHCQIMSI-QPTUXGOLSA-N 432.649 6.119 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1ccc(NC(=O)OC(C)(C)C)cc1 2031668269 YABIMEOTYZUMLJ-OAQYLSRUSA-N 437.540 6.348 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)CC12CCC2 2038097567 XXDSEOAWDSTDOO-DEOSSOPVSA-N 445.535 5.393 30 10 IKEE CCOc1ccc(C=C2CC(O)(C(F)(F)F)CC(=Cc3ccc(OCC)cc3)C2=O)cc1 2042455322 VYWCULQYUXXSLQ-UHFFFAOYSA-N 446.465 5.607 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CC[C@@](F)(CNC(=O)OC(C)(C)C)CC1 2058303086 VUKTWLWAWDSZRN-FXSPECFOSA-N 448.623 5.551 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2077947300 FPZNNJFLCDSBMM-ICSRJNTNSA-N 443.588 5.664 30 10 IKEE CC(C)(C)OC(=O)c1nn(Cc2cccc(C(F)(F)F)c2F)c(C(F)(F)F)c1Cl 2079182646 YDEGUDVHRZYXDS-UHFFFAOYSA-N 446.750 5.717 30 10 IKEE CC[C@@H](c1ccc(C)c(F)c1F)n1nc(C(C)(C)C)c(C#N)c1I 2079937518 VJMNDXKCIBKYRQ-ZDUSSCGKSA-N 443.279 5.243 30 10 IKEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN(Cc1ccccc1)CC1CCCC1 2095817371 ACHLZJKWEJAVBR-UHFFFAOYSA-N 435.417 5.187 30 10 IKEE CN(CCN(Cc1ccccc1)c1ccc(C(N)=NO)c2ccccc12)Cc1ccccc1 2095877301 KBUMRPITWMHJJW-UHFFFAOYSA-N 438.575 5.073 30 10 IKEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)c2ccccc2OCc2ccccc2)CC1 2095903709 GABQYMNISPUWFF-UHFFFAOYSA-N 433.357 5.059 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCCC(F)(F)CC1 2097430816 YPRYYZQMHDWVMS-GOSISDBHSA-N 429.305 6.052 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@](C)(C#N)C(F)(F)C(F)(F)F 2126067100 BXKXADASOJJCTA-AWEZNQCLSA-N 443.210 5.670 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCCC[C@]12CCNC2 2156246804 FIKCUQIMPMOLQI-RTWAWAEBSA-N 434.378 5.007 30 10 IKEE CCC[C@]1(CNc2cc(Br)ccc2C#N)CCCN(C(=O)OC(C)(C)C)C1 2162414628 LBICZLMXLUVOLP-OAQYLSRUSA-N 436.394 5.550 30 10 IKEE C[C@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)Nc1ccc(C#N)c(Br)c1F 2162423436 SNRLZYDIUGYOAN-RNODOKPDSA-N 440.357 5.345 30 10 IKEE Cc1ccc2c(c1)CC[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2163704987 JOFNLVRSTCTQNN-QFIPXVFZSA-N 427.342 5.864 30 10 IKEE C=CCN(CC[C@H](NCCC)c1cc(F)c(Br)cc1F)C(=O)OC(C)(C)C 2198207146 ZQDSBYSIWXRJOC-SFHVURJKSA-N 447.364 5.581 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCC3(CC3)N(C(=O)OC(C)(C)C)C2)c1 2220212308 BXHJAGCZKCADND-VWLOTQADSA-N 441.572 5.562 30 10 IKEE CCCCCCCC[C@@H](CO)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2227102670 BGSLESVEGGYWMN-IBGZPJMESA-N 428.411 6.302 30 10 IKEE CC[C@@H]1CC=C(C(=O)[C@H](Cc2ccc(Br)cc2)NC(=O)OC(C)(C)C)CC1 2237404383 FYUSSGYDIRGYPS-BEFAXECRSA-N 436.390 5.591 30 10 IKEE CCCN[C@H](CC=CC#CC(C)(C)C)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256730386 DVNHROOXZLYINL-DNQXCXABSA-N 442.644 5.461 30 10 IKEE O[C@H](C#Cc1ccc(Br)cc1)c1cccc(Br)c1Br 2278814614 UTGAADPOXGQWNS-CQSZACIVSA-N 444.948 5.059 30 10 IKEE C=CCCC1([C@@H](NCC)c2c(F)cccc2Br)CN(C(=O)OC(C)(C)C)C1 2281054635 ZLKDSMPCOCOUGH-SFHVURJKSA-N 441.385 5.442 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H](CNc2cc(Br)c(C#N)cc2F)CC1 2295179138 DCPAMHHUDKMLPS-AWEZNQCLSA-N 440.357 5.299 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CN(Cc2ccccc2)C(C)(C)C1 2296219812 RPZHGKHZECSXAW-JTHBVZDNSA-N 425.414 5.079 30 10 IKEE CCCCCCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)C(=Cc3cnn(C)c3)C[C@H]12 2297110564 WVXXEBLHRGPWQV-GKWDUZDBSA-N 446.635 6.498 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@@H](C#N)C12CC(CCN1C(=O)OC(C)(C)C)C2 2302495854 AZUQEWUKCGTBBT-MZXKRHHESA-N 427.545 5.110 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C 2302795826 MKZJIQVWGCELMO-QWFCFKBJSA-N 429.561 5.322 30 10 IKEE C=CCc1cc(C=C2SC(=NC)N(C)C2=O)cc(OCC)c1OCc1cccc(F)c1 2313556539 CHHWCTWLCTWFBB-UHFFFAOYSA-N 440.540 5.064 30 10 IKEE Cc1ccsc1C=Nn1c(Cc2ccccc2)nnc1SCc1ccc([N+](=O)[O-])cc1 2318582152 WOVGPLJPRQTYAT-UHFFFAOYSA-N 449.561 5.322 30 10 IKEE COc1cc(C=NNc2oc(-c3ccccc3)nc2C#N)ccc1OCc1ccccc1F 2320833932 ADKFJKRAPIAVHX-UHFFFAOYSA-N 442.450 5.386 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(CC)n1N=Cc1ccc(C(C)(C)C)cc1 2320941173 BDCFDXFAHMUEDD-UHFFFAOYSA-N 449.624 5.313 30 10 IKEE CCCCOc1ccc(C=Nn2c(S)nnc2CCc2cccc3ccccc23)cc1 2322203159 AVLRNILNQQEEIO-UHFFFAOYSA-N 430.577 5.566 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(S)nnc2CCCOc2ccc(Cl)cc2)cc1 2322236302 DSNVULHFWPINFI-UHFFFAOYSA-N 428.989 5.412 30 10 IKEE COc1ccccc1CN1COc2c(cc3c(c2C)OC(=Cc2ccc(C)cc2)C3=O)C1 2322318965 JXYIUEICMVSKOS-UHFFFAOYSA-N 427.500 5.280 30 10 IKEE COc1ccccc1CN1COc2c(cc3c(c2C)OC(=Cc2cccc(F)c2)C3=O)C1 2322318996 SXGXDKGJCWVPBO-UHFFFAOYSA-N 431.463 5.111 30 10 IKEE Cc1cccc(COc2ccc(Cl)cc2C=CC(=O)c2cccc(Br)c2)c1 2322464793 LZQOAUVVBWFJCB-UHFFFAOYSA-N 441.752 6.886 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Cl)ccc1OCc1cccc2ccccc12 2322481631 WHBYPUFXANBBND-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc(OC(=O)Cc3ccc(Cl)cc3)c2C)C1=O 2322900934 BDTZCDVDWSUVEL-UHFFFAOYSA-N 448.902 5.811 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1OCC(=O)Nc1ccc(C)cc1C 2323118119 QCKZWMYPAKTZTA-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3ccc(C)cc3C)c2)c(C)c1C 2323247981 NNCXQXPZTNZCOB-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE C=C(C)COc1c(OC)ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)c1Br 2323259340 QBMKHNVUVQWMBB-UHFFFAOYSA-N 443.381 6.542 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2cccc(OCc3ccccc3Cl)c2)c1 2323260832 KJOBLAXRDOPNBD-UHFFFAOYSA-N 436.935 6.613 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)cc1 2323536115 MZBMSIZRLIRFLZ-UHFFFAOYSA-N 448.990 7.475 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(Cl)c(OCC)c(OCC)c2)cc1OCCC 2323746167 VYUSBXLEFKOWQD-UHFFFAOYSA-N 446.971 6.611 30 10 IKEE CCCCCCCCCOc1ccc(C=NNc2nc(C)cs2)cc1Br 2323854652 JCDXEACPOSGEQT-UHFFFAOYSA-N 438.435 6.789 30 10 IKEE C=CCN(CC=C)Cc1c(O)cc(C)c2c1OC(=Cc1ccccc1Br)C2=O 2324082602 RLBXQQWHMDDCNX-UHFFFAOYSA-N 440.337 5.253 30 10 IKEE CCCOC(=O)COc1c(Cl)cc(C=CC(=O)c2ccc(F)c(F)c2)cc1OCC 2324244903 RWTBTOGKMDGARA-UHFFFAOYSA-N 438.854 5.245 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)cc(Br)c1OC 2324331432 ASCKZJHHCZJIRC-UHFFFAOYSA-N 446.124 5.678 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OCc1cccc(C)c1 2324380761 NSXBIAIJDBQKLX-UHFFFAOYSA-N 430.544 6.494 30 10 IKEE COc1cccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(Cl)cc3Cl)n2)c1 2324384933 XUHPQIDCFGVKJV-KRWDZBQOSA-N 429.328 6.015 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(Cl)c(OC)cc2OC)cc(OC)c1OCCC 2324430150 PDSMNBFOVWZQMF-UHFFFAOYSA-N 430.928 5.779 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OCC(=O)Nc1ccccc1 2324561587 UYRHZFMAFDJMJF-UHFFFAOYSA-N 443.543 5.924 30 10 IKEE CCCNC(=O)COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1Cl 2324574071 INZUGRBIGRTXDW-UHFFFAOYSA-N 427.972 5.747 30 10 IKEE Cc1ccccc1OCCCCOc1ccc2c(c1C)OC(=Cc1ccc(Cl)cc1)C2=O 2324598909 DJDYCWTZTCGERM-UHFFFAOYSA-N 448.946 6.811 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3C)c(Cl)c2)cc1Cl 2324610147 WKZQNPJMGXODRV-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE COc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)c(OC)c1 2324706236 DMEKSKNVIYYIGZ-FQEVSTJZSA-N 448.544 5.342 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCc4cccc(Oc5ccccc5)c4)cc(C)c3C2=O)o1 2325351343 UVVGFAVQDGTKDK-UHFFFAOYSA-N 438.479 6.884 30 10 IKEE COc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)CSc1ccccc1 2325675269 HYPXSFUWIDCETN-UHFFFAOYSA-N 449.484 5.197 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1OC(=O)CSc1ccccc1 2325729734 ONIABWRSGULXSY-UHFFFAOYSA-N 438.932 5.942 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OC(=O)c1ccc(OC(C)=O)cc1 2325739932 UOVQAPLFEXWESG-UHFFFAOYSA-N 444.483 5.353 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc3c(c2C)OC(=Cc2cccc(F)c2)C3=O)c1 2325740786 GMPDKSLJPUYVHY-UHFFFAOYSA-N 431.463 5.385 30 10 IKEE Cc1cc(C(=O)C=Cc2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)ccc1F 2325742160 SAPRGRBLYGRGIR-UHFFFAOYSA-N 439.826 5.811 30 10 IKEE O=C(C=Cc1cccc(OC(=O)C2(c3ccc4c(c3)OCO4)CC2)c1)c1ccc(F)c(F)c1 2325753616 DWDFPSPJWHNBOO-UHFFFAOYSA-N 448.421 5.227 30 10 IKEE Clc1ccccc1OCc1nnc(SCCc2ccccc2)n1N=Cc1ccncc1 2327658666 DJNVNCRLTSSZIZ-UHFFFAOYSA-N 449.967 5.123 30 10 IKEE Cc1ccccc1CSc1nnc(CCCOc2ccccc2)n1N=Cc1ccncc1 2328719888 ZJAUFGLWARYEMF-UHFFFAOYSA-N 443.576 5.168 30 10 IKEE C=CCSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1ccc(Cl)c(Cl)c1 2329438918 ASDPCDXWLLHINU-UHFFFAOYSA-N 431.392 5.953 30 10 IKEE CCc1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2[C@@H](C)c2ccccc2)cc1 2330063722 HQVGJZGZWHNDQT-IBGZPJMESA-N 444.579 6.306 30 10 IKEE Cc1cccc(CSc2nnc(CC3CCCCC3)n2N=Cc2cc(C)ccc2O)c1 2330245986 DPNGNOHZAZUIGI-UHFFFAOYSA-N 434.609 5.898 30 10 IKEE C=C(C)CSc1nnc(CC2CCCCC2)n1N=Cc1cc(Cl)c(O)c(OC)c1 2330269754 MXZBORPSCOQWMI-UHFFFAOYSA-N 434.993 5.319 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1 2330825856 SOWMFWBNEDXIBN-UHFFFAOYSA-N 429.472 6.053 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2)cc(Cl)c1OC(=O)CC(C)(C)C 2330871735 HAWQTQBLCXXUOF-UHFFFAOYSA-N 444.955 6.293 30 10 IKEE Cc1ccccc1CSc1nnc([C@H]2CCCO2)n1N=Cc1cn(C)c2ccccc12 2330894565 DZHZTDMYONKWEI-JOCHJYFZSA-N 431.565 5.104 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)cc([N+](=O)[O-])c1OC(=O)C(C)(C)C 2330938851 JCMHJBLYQBWKKJ-UHFFFAOYSA-N 431.872 5.495 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc([C@H]2CCCO2)n1N=Cc1ccccn1 2330975490 QAIGTBKCVZRFIK-QGZVFWFLSA-N 434.352 5.006 30 10 IKEE O=C(CSc1nnc(C2CCCC2)n1N=Cc1cccc(Cl)c1)Nc1ccccc1 2331020481 NXABEPKQPNKULC-UHFFFAOYSA-N 439.972 5.202 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccccc1C 2331042430 AJZJUNJREXTCOV-UHFFFAOYSA-N 431.444 5.417 30 10 IKEE COc1ccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3ccccc3OC)cc2)cc1 2331051424 OGNJOPCIGQGXFI-UHFFFAOYSA-N 446.499 5.365 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCc3ccccc3Cl)nnc2C2CCCC2)c1 2331077754 JDHCIOACOVZLTR-UHFFFAOYSA-N 426.973 5.778 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2)cc1 2331216057 WBXGNGDLSWGZBB-UHFFFAOYSA-N 442.555 6.527 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc([N+](=O)[O-])c1OC(=O)c1cccnc1 2331228597 OYKXAMWYOZCUAU-UHFFFAOYSA-N 446.459 5.121 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc([N+](=O)[O-])c1OC(=O)c1ccccn1 2331229775 ICRMRQIHIIWGDF-UHFFFAOYSA-N 446.459 5.121 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(Br)c1OC(=O)C(F)(F)F 2331281145 LBWIDFZOLKLHOH-UHFFFAOYSA-N 443.215 5.130 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)CCOc3ccccc3)c([N+](=O)[O-])c2)ccc1F 2331340209 VSLBANRSWPKCHB-UHFFFAOYSA-N 449.434 5.313 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc([N+](=O)[O-])c1OC(=O)c1ccco1 2331342863 CAZQEQGGNBQDOX-UHFFFAOYSA-N 439.395 5.149 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(SCc2ccccc2Cl)nnc1C(C)(C)C 2331397965 NJXCSHWNUFQNFB-UHFFFAOYSA-N 443.016 6.191 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)cc(OC)c1OC(=O)c1ccco1 2331470714 FQXXXSOEXAXDRA-UHFFFAOYSA-N 428.440 5.565 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)cc2)cc1 2331641720 XUNLPJAGLRPUPG-UHFFFAOYSA-N 442.555 6.363 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc(Cl)c1OC(=O)CC(C)C 2331659056 QPEKIUMALUAIGI-UHFFFAOYSA-N 430.928 5.822 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(O)cc1O 2331662061 WLVRAIKSLQYVJQ-UHFFFAOYSA-N 437.352 5.123 30 10 IKEE Cc1cc(Sc2cc(I)ccc2Br)nc(C)c1C#N 2338313555 RTAKQKFJLCCSDF-UHFFFAOYSA-N 445.123 5.088 30 10 IKEE CN(Cc1ccc(Br)cc1C#N)[C@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]12 2357063785 OMOWECNKBOBSSJ-QGQQZZQASA-N 425.370 5.136 30 10 IKEE CCOc1ccc(/N=c2\scc(-c3ccc(Cl)s3)n2/N=C/c2ccc(C)o2)cc1 12566822 DRIJENKEELXMFB-VCASSKIBSA-N 443.981 6.346 30 10 IKEE COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2)cc1OC 21223194 SLKJTZONLDJCJH-UZTOHYMASA-N 426.516 5.683 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2O)cc1 21260285 WPLKTBRLWBDXOP-DNOBIOAJSA-N 426.516 5.770 30 10 IKEE CCOc1ccc(/N=C2\Sc3nc4c(C)cccc4cc3CN2Cc2ccccc2)cc1 33938558 IRMHCGNJRJNZAV-DQSJHHFOSA-N 439.584 6.738 30 10 IKEE O=C(/C=C1\Nc2ccc(Br)cc2C(c2ccccc2)=C1[N+](=O)[O-])c1ccccc1 38162168 QZMNOAFGLYRWQW-ZHZULCJRSA-N 447.288 5.678 30 10 IKEE C=CCOc1ccc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CC=C)cc1OCC 38593937 LJINJWRPQBTQBJ-XMMPIXPASA-N 445.515 5.105 30 10 IKEE Cc1c(/N=N/c2ccc(Cl)cc2Cl)c(O)n([C@@H](C)c2ccccc2)c(=O)c1C#N 39870594 GGKGDPGUEKNUPR-UYKKPGFNSA-N 427.291 6.066 30 10 IKEE C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCC)c1 40076832 HZTXVSNWAXLOHD-OAQYLSRUSA-N 425.912 5.283 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@@H]1c1cccc(OCC)c1 40085910 OCQKCKOSXQXLII-QHCPKHFHSA-N 437.536 5.171 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3cc(OC(=O)c4cc5ccccc5o4)ccc3C2=O)c1 41352667 CHBMKBRIQNUPEI-QRVIBDJDSA-N 442.423 5.285 30 10 IKEE CCCSc1ccc2nc(-c3ccc(C#N)cc3)n(Cc3ccc4ccccc4c3)c2c1 43256745 QPECCZNTOYSQCY-UHFFFAOYSA-N 433.580 7.279 30 10 IKEE CCc1ccc(/N=C2/S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2CC)cc1 97399647 IIVXHNFOHNOQFN-QXOGVRMXSA-N 449.498 5.248 30 10 IKEE CN1/C(=C2\S/C(=N\Cc3ccccc3)N(C3CCCCC3)C2=O)Sc2ccccc21 97963949 VQFJVUYSBOEGII-UNGFZDNBSA-N 435.618 5.862 30 10 IKEE CCCCCCCCCCCCCCCCNC(=S)NC(=O)COc1ccc(C)cc1 100070114 LEBACCOBIQJHKD-UHFFFAOYSA-N 448.717 6.846 30 10 IKEE COc1cccc(/C=C2/S/C(=N/Cc3ccccc3)N(Cc3ccccc3)C2=O)c1O 101538976 UXMMXGQLBIVVGJ-ZBNITPKASA-N 430.529 5.074 30 10 IKEE CCCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 101678940 QMLCEZRSHHVFBX-UHFFFAOYSA-N 433.208 5.032 30 10 IKEE COc1ccc(C(=O)/C=C\c2cccs2)c(OC(=O)c2ccc(Br)cc2)c1 102431106 IHNXHIQAMLENNP-LUAWRHEFSA-N 443.318 5.635 30 10 IKEE Cc1ccc(C)c2c1NC(=O)/C2=C1\S/C(=N/c2ccccc2)N(c2ccccc2)C1=O 103626953 UPYQLDIQRLVHEO-RMPMBVSISA-N 425.513 5.434 30 10 IKEE CCCCCCCCCCCCCC(=O)Nc1ccc(-c2nc3cc(C)ccc3o2)cc1 104901028 NZZWCMPFIGLHNC-UHFFFAOYSA-N 434.624 8.443 30 10 IKEE COc1ccc(C)cc1[C@H](C#N)C(=O)c1cc(Br)c(Br)s1 128467550 VSNQPWHAMBFATP-JTQLQIEISA-N 429.133 5.080 30 10 IKEE CCCN1C(=S)N[C@H](c2ccc(OCc3c(F)cccc3Cl)cc2)C(C(C)=O)=C1C 169930449 MIVMCWYVQVYRKX-JOCHJYFZSA-N 446.975 5.562 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccc(C)cc2)c1 169934762 SVUWJWWGMRJYRQ-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1c1cccc(F)c1 169940075 JPHXYLWGTKNHBO-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE CCN(Cc1ccccc1)c1ccc(/C=N\Nc2nc(-c3ccccc3OC)cs2)cc1 169940911 UBUNYQOQHGJCQJ-PKAZHMFMSA-N 442.588 6.291 30 10 IKEE COc1cc(/C=N\Nc2nc(-c3ccc(C)c(C)c3)cs2)cc([N+](=O)[O-])c1OC(C)C 169941272 AYYCARYRYBOOFG-KSEXSDGBSA-N 440.525 5.577 30 10 IKEE CCOc1ccc(/C=N\Nc2nc(-c3cccc(OC)c3)cs2)cc1Br 169942316 JEPZYUUUCWGYOI-NHDPSOOVSA-N 432.343 5.426 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccccc2)cc1 170055161 TVVSFAWIPVCIDQ-XMMPIXPASA-N 429.491 5.209 30 10 IKEE CC(C)Oc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccco2)cc1 170094971 IBZLSGYFZULRAW-OAQYLSRUSA-N 437.879 5.503 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@H]1c1ccccc1OC(C)C 170151082 QSHUVSQJUKBGNS-OAQYLSRUSA-N 443.927 5.124 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@H]1c1ccccc1OC(C)C 170151436 ORDDTFJRJJENDC-HSZRJFAPSA-N 437.536 5.088 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2cccs2)c1 170156715 NIXFIUHSPBYENS-JOCHJYFZSA-N 431.513 5.164 30 10 IKEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc2ccccc12 170220583 ZGISDZVCBGEPRF-VWLOTQADSA-N 437.495 5.218 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccc2)cc1C 170222907 WRELSKSLNUVOAY-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)cc(C)c3OC)[C@@H]2c2ccccc2)cc1 170224828 OCHXZRPFMXZQTD-QHCPKHFHSA-N 443.499 5.104 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccccc1 170226899 OXIZARJRXUITLA-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)cc4F)[C@H]3c3ccccc3)ccc2O1 170229287 LVHIOTXMLCVWEV-FATZIPQQSA-N 447.437 5.071 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2)c1 170231497 RCPNWVWZWREOOR-NRFANRHFSA-N 425.912 5.260 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(Cl)cc1 170236403 LYKGTTPDVAYCOQ-QGZVFWFLSA-N 434.717 5.091 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2c2ccccc2O)o1 170301101 MRRADUXJQXBZJI-HSZRJFAPSA-N 447.487 5.111 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1c(C)[nH]c2ccccc12 170311776 IDMLWTGKFXNCIC-QHCPKHFHSA-N 432.520 5.172 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2sccc2C)cc1C 170315287 PZLRLEHQNVAWJK-QFIPXVFZSA-N 447.556 5.855 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccc(C)c2)cc1Cl 170343122 ANKXHVRNQMYLBL-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE CC(C)COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccc(O)c2)cc1 170385242 IUODSTCLYIEXHV-QFIPXVFZSA-N 449.528 5.271 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 170414973 DONXBMCFYJZHBT-DEOSSOPVSA-N 449.591 5.686 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(Oc3ccccc3)cc2)[C@@H]1c1ccc(O)cc1 170450096 VDFDKADGBXROGQ-RUZDIDTESA-N 443.499 5.700 30 10 IKEE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1cccc2ccccc12 252632016 VOFBKTRGDNDUCS-JOCHJYFZSA-N 429.545 5.295 30 10 IKEE CCOc1ccc(N=C2S/C(=C\c3ccccc3)C(=O)N2c2ccc(OCC)cc2)cc1 252638116 XZNYWKZYTUABSV-MMKHHPBPSA-N 444.556 6.293 30 10 IKEE C[C@]12CCCC[C@H]1CC[C@H]1[C@H]2CC[C@@]2(C)C(=NN=Cc3ccccc3C(F)(F)F)CC[C@H]12 254402148 FHIHDASURXFVSB-CBIBYWENSA-N 444.585 7.913 30 10 IKEE CCOc1ccc(N=C2SCCCN2C(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)cc1 254607242 HKSMESIJIHQPHN-KRWDZBQOSA-N 447.604 5.958 30 10 IKEE CCSc1nnc(C(F)(F)F)n1N=Cc1ccc(COc2ccc(Cl)c(C)c2)o1 254870432 WXKCDJIXOMLWJQ-UHFFFAOYSA-N 444.866 5.425 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)ccc(Br)c1F 407229762 ZTPVIPXFSGQQOF-RHSMWYFYSA-N 433.337 5.237 30 10 IKEE CCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1c(C)n(CC)c2ccccc12 526811719 RSLFJSXYEMGHFH-QFEZKATASA-N 438.000 5.951 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1cn(CC)c2ccccc12 526818885 FWCPHOBPUFYGMO-YUMHPJSZSA-N 445.636 6.387 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2cccc(C#N)c2)cc1 586180719 UYYADPOOSOFDLN-UHFFFAOYSA-N 446.616 6.072 30 10 IKEE CCCCc1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 586229798 ZEOQIXVIXKLOCS-UHFFFAOYSA-N 449.532 5.205 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@](C)(C#N)Cc1ccc(Br)cc1 698477710 QKJCBHVGSLHKRM-JOCHJYFZSA-N 429.358 6.024 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1ccc(F)c(Cl)c1 698491637 ZRCIXNHOJDJPQR-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2ccc(F)c(Br)c2)cc1 698958502 QXKIPGPVUIWRNN-SFHVURJKSA-N 435.293 5.603 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 724090401 QXQXHVZHQDZMPR-BXKMTCNYSA-N 447.551 5.544 30 10 IKEE COc1ccc(NC(=O)COc2ccc(C=Nc3ccc(Br)cc3)cc2)cc1 1083926499 VNBLEJQPVMLCPQ-UHFFFAOYSA-N 439.309 5.226 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)CCSc2n[nH]c(NN=C(C)c3ccccc3)n2)cc1 1083997483 PSPKLEHPRCIZSH-MRXNPFEDSA-N 436.585 5.275 30 10 IKEE Cc1ccccc1N=C1S/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1C 1084317113 HZXTURABEAAKGO-LAJNNLEESA-N 429.501 6.020 30 10 IKEE Oc1cccc(N=Cc2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)c1 1084594197 DNEOZYWUICHAEH-UHFFFAOYSA-N 448.953 7.921 30 10 IKEE C=CCN(Cc1cccs1)C(=O)/C=C\c1csc(N(C(C)=O)c2ccccc2F)n1 1086879805 QRJZDBQCHLOVOE-KHPPLWFESA-N 441.553 5.256 30 10 IKEE Oc1ccccc1N/C(=N/Cc1cc(Br)ccc1F)NC1CCCCCC1 1088735436 PGCZMZMDXNPUNW-UHFFFAOYSA-N 434.353 5.574 30 10 IKEE C/C(=C1/SC(=Nc2ccncc2Cl)N(C2CCCCC2)C1=O)c1ccc(Cl)cc1 1772736115 JZQIVZUELZTUPA-NKFJNAIASA-N 446.403 6.715 30 10 IKEE CCN1C(=O)/C(=C(/C)c2ccc(Br)cc2)SC1=Nc1cccc(C(=O)O)c1 1772736731 NOKOBAAQCDOIFR-UBLAJHMLSA-N 445.338 5.161 30 10 IKEE Cc1ccc(-c2nn(-c3ccccc3F)cc2/C=N\NC(=S)Nc2ccccc2)c(C)c1 1857810502 LVPMSCRQHCTRLC-DICXZTSXSA-N 443.551 5.616 30 10 IKEE Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N\NC(=S)Nc2ccccc2)c(C)c1 1857811669 WAIQGEDAXNBWOH-QQXSKIMKSA-N 425.561 5.477 30 10 IKEE CCOc1cccc(C(=O)Nc2cccc3c(OC(=O)c4cccc(C#N)c4)cccc23)c1 1858927827 FQTYSURXASIHID-UHFFFAOYSA-N 436.467 5.582 30 10 IKEE Cc1c(Cl)cccc1NC(=O)[C@H](C)Oc1ccc(NC(=O)c2cccc(C#N)c2)cc1 1860159626 JIMFUFJARBTXIS-INIZCTEOSA-N 433.895 5.178 30 10 IKEE N#Cc1cccc(C(=O)Oc2ccc(C3CCN(C(=O)c4ccc(F)cc4F)CC3)cc2)c1 1860704467 NBFFCSUCOPQMOJ-UHFFFAOYSA-N 446.453 5.075 30 10 IKEE CCCCCCCCCCNC(=O)c1cc(CCCC)n(Cc2ccccc2Cl)n1 1862322772 AXYOVKOIZPPIRK-UHFFFAOYSA-N 432.052 6.798 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccccc2)cc1 1862387186 FFIZUZFWCGDCNP-AREMUKBSSA-N 443.587 6.498 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@H]1c1ccc(Cl)cc1Cl 1862395141 VTCAFIVALNEBQS-OAQYLSRUSA-N 444.358 6.100 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@H]2c2cccc(C)c2)cc1 1862413038 UBZXUEMETOZYGW-HSZRJFAPSA-N 433.454 5.360 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(C(C)C)cc1 1862464042 NFUFFHCVJBTJIE-YEJXKQKISA-N 431.454 5.604 30 10 IKEE CCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(O)cc1 1862473334 AIWIVYCNKFXFPJ-RUZDIDTESA-N 449.591 6.420 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(Cl)cc2)c1 1862490803 DRJGGOSFCXNZIP-QHCPKHFHSA-N 437.967 6.258 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccccc2)ccc1F 1862500332 CGGLSTZWXLRTBD-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 1862580656 PIHIGLGKQPPXBB-OXQOHEQNSA-N 446.330 5.059 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1c(F)cccc1Cl)c1ccc(F)cc1 1862678734 VMZGVQRZYOHOEZ-FQEVSTJZSA-N 431.866 5.529 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(CC)cc1 1862716036 WTHSEDAFBDPOCN-RUZDIDTESA-N 443.543 5.407 30 10 IKEE Cc1ccccc1NC1=C(c2cc(Cl)ccc2Cl)C(=O)N(c2cccc(C#N)c2)C1=O 1863014858 LJQZLQIDHLKODI-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccccc2)=C(c2cc(C)ccc2C)C1=O 1863396595 MMSDGKPIUAHTPX-UHFFFAOYSA-N 432.608 6.636 30 10 IKEE N#Cc1cccc(NC2=C(c3c[nH]c4ccccc34)C(=O)N(CCC3=CCCCC3)C2=O)c1 1863495078 BONGQGXMKFWOBD-UHFFFAOYSA-N 436.515 5.122 30 10 IKEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2C)[C@H]1c1ccc(C(C)C)cc1 1864203056 VKZYXBCDEHPMEX-JOCHJYFZSA-N 438.616 5.023 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N(CC(=O)OC)[C@@H](C)C(=O)OC 1866342713 WJJDUNJHMDJMLM-QFIPXVFZSA-N 441.653 5.811 30 10 IKEE Cc1ccccc1-c1ccc(-n2nnc(C#N)c2NC(=O)/C=C\c2ccc(Cl)cc2)cc1 1870140910 PWQKGBGNAMITBD-NVNXTCNLSA-N 439.906 5.420 30 10 IKEE CCCCCCCCn1cc(OCCc2ccccc2)c(=O)cc1CSC(C)(C)C 1870192016 AAONSUALASIMBI-UHFFFAOYSA-N 429.670 6.862 30 10 IKEE Cc1cccc(CN2COc3cc(C)c4c(c3C2)O/C(=C\c2ccc(Cl)cc2)C4=O)c1 1871347874 ARINVMJZLDUBOI-FMCGGJTJSA-N 431.919 5.925 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccco1)C3=O)CN(C(c1ccccc1)c1ccccc1)CO2 1871355959 OPSWTZCAUPVTOG-XYGWBWBKSA-N 449.506 6.146 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)cc1 1871387414 UIGHRVNLTXPMHP-IWIPYMOSSA-N 443.499 5.295 30 10 IKEE CN(C)c1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCCc4ccccc43)C2=O)cc1 1871395605 XZGPWTLXPJODCX-XYGWBWBKSA-N 426.516 5.027 30 10 IKEE C[C@H](Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O)C(=O)Nc1ccccc1Cl 1871407365 XSLMRSBCCYPEGC-RQZLXBNYSA-N 425.893 5.424 30 10 IKEE O=C1/C(=C/c2ccccc2OC(F)F)Oc2cc(OCc3cccc4ccccc34)ccc21 1871433460 GJYRGRWIGZIVGI-QFEZKATASA-N 444.433 6.636 30 10 IKEE CC(C)(C)c1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871445211 NEBZPGMXDLSWNE-OYKKKHCWSA-N 445.490 5.757 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C)c(C)c4)ccc3C2=O)cc1 1871459242 NEBKWPNWCNEZCX-QFEZKATASA-N 427.500 5.500 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(C(C)C)cc2)[nH]c(N2CCC(C)CC2)n1 1871504748 JOKZYPOZLHRMGU-UHFFFAOYSA-N 438.664 6.169 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(OC)cc2C)[nH]c(N(CC)CC)n1 1871691451 OQTHWANSGTVXFS-UHFFFAOYSA-N 442.652 5.753 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)cc1)[C@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1871776819 PJUDCXDAPWBKDL-XMSQKQJNSA-N 449.016 5.269 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)c(Cl)c1)[C@H](C)CC)S(=O)(=O)CCCC 1871810423 FQIOZILCEXMTSW-UZLBHIALSA-N 429.026 5.010 30 10 IKEE C=CCN([C@@H](C(=O)Nc1cccc(C)c1C)[C@@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1872522393 YKZSFUDVTTVAQP-KSFYIVLOSA-N 449.016 5.187 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(OC)c(OC)c3)n2)cc1 1872770296 PLSFHNCZIGCFLC-IBGZPJMESA-N 436.533 5.035 30 10 IKEE Cc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3cccc4ccccc34)cs2)cc1 1872775783 ZRMHGWFSUDXHQI-HSZRJFAPSA-N 426.541 6.307 30 10 IKEE COc1ccc(C(=O)[C@H](C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1 1872778045 CDSPHABBCHJEIR-HNNXBMFYSA-N 433.316 5.624 30 10 IKEE CCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1 1872782622 LQRQUSCMZRFQDX-INIZCTEOSA-N 442.924 5.369 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-c4ccccc4)cc3)n2)c(OC)c1 1872783562 COXNHVTVNIUXBO-JOCHJYFZSA-N 440.524 5.984 30 10 IKEE COc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2ccc(OC)c3ccccc23)cs1 1872787885 AOIVRFWUFBGNQS-LJQANCHMSA-N 444.512 5.236 30 10 IKEE N#C[C@H](C(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872788226 XLWMHLPTKROCGB-IEXSPKMKSA-N 444.299 5.915 30 10 IKEE CCCCCCCCCCNC(=O)c1cccc(CSc2nc3ccccc3s2)c1 1872888004 YPVFWVBIBKHUGF-UHFFFAOYSA-N 440.678 7.459 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cc(C)ccc2C)=C(c2ccccc2)C1=O 1873413087 LCWMBKBTGNIBQD-UHFFFAOYSA-N 432.608 6.636 30 10 IKEE CCCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1ccc(N(C)C)cc1 1874247430 DVNJJRZSKFPMAG-XIEYBQDHSA-N 437.613 5.048 30 10 IKEE COc1ccc(/C=N/n2c(COc3ccccc3)nnc2SCc2cccc(C)c2)cc1 1874383869 MBXBMRNYYWXUAU-WGOQTCKBSA-N 444.560 5.349 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3Cl)n2/N=C/c2ccccc2C)cc1 1874389558 SBQXCVDQYRPNAN-JVWAILMASA-N 447.007 6.314 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@H](C)c3ccccc3)n2/N=C/c2ccc(F)cc2)c1 1874395704 TUSBETCGIWSJMB-HXLYRSSUSA-N 444.579 6.360 30 10 IKEE CCOc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCCc2ccccc2)cc1 1874408376 TXRXPLRBZQDXLT-NHFJDJAPSA-N 448.636 6.017 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2[C@H]2CCCO2)c1 1874442907 NMNYQNNXGGGJAH-JAMLUQCHSA-N 440.544 5.232 30 10 IKEE Clc1cccc(CSc2nnc(C3CCCC3)n2/N=C/c2c[nH]c3ccccc23)c1 1874457653 ZPSGKVVNSLFUAJ-VULFUBBASA-N 435.984 6.245 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCCc3ccccc3)nnc2-c2ccco2)cc1 1874466881 HFCGOKCNZPJKDB-LGUFXXKBSA-N 445.592 5.601 30 10 IKEE CCCSc1nnc(CCOC)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1874473323 YRBKMORHLNWJJC-BUVRLJJBSA-N 444.988 5.084 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1cccc(Cl)c1 1874475388 XRSDHLAUIRZSIM-ZMOGYAJESA-N 445.951 5.026 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2C2CCC2)cc1 1874495805 GNQJFRAHULOVDB-WPWMEQJKSA-N 447.652 6.183 30 10 IKEE Cc1cccc(C)c1NC(=O)CSc1nnc(C2CC2)n1/N=C/c1ccc(C(C)C)cc1 1874519131 CNROKOONJBJBHL-VULFUBBASA-N 447.608 5.509 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(S)nnc2COc2ccc(Cl)c(C)c2)cc1 1874568372 VMEBVRHXXFBUPL-ZVHZXABRSA-N 444.988 5.559 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2c(OCc3cccc(Cl)c3)ccc3ccccc23)c1 1874580341 JIRLTCFMTLRMEF-BUHFOSPRSA-N 426.943 7.585 30 10 IKEE O=C(/C=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)c1ccc(F)cc1 1874583789 GOHJIBZPRWNNAT-VZUCSPMQSA-N 445.715 6.717 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 1874592028 OSKJNKOHPHLTPH-OUKQBFOZSA-N 446.905 7.116 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3cc(C)ccc3C)c2)cc1 1874595773 COEADHFQRPGIKX-RIYZIHGNSA-N 430.544 6.576 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OCc1c(Cl)cccc1Cl 1874612870 PYGQERZUWLZGSM-WEVVVXLNSA-N 449.280 6.755 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 1874614273 BVXFWIBQVQUEGV-JLHYYAGUSA-N 437.879 6.122 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1 1874616724 PHJJQNXHMQPRLW-DGKKPVBHSA-N 443.543 5.628 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OCc1ccc(Cl)cc1 1874619716 OILHGNGHHSVESC-XYOKQWHBSA-N 436.935 6.531 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1 1874622461 ZMTCJUXIALKKOM-WOJGMQOQSA-N 427.544 5.575 30 10 IKEE C=C(C)COc1c(Br)cc(/C=C/C(=O)c2cccc3ccccc23)cc1OC 1874623070 KOIMXOFKMYFOQC-VAWYXSNFSA-N 437.333 6.462 30 10 IKEE O=C(CCCOc1ccccc1)Oc1cccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1 1874692544 MJOJFBHSJURNQD-CCEZHUSRSA-N 431.444 5.256 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(Cl)cc3Cl)c2)c1 1874695861 VVVXDJLNKQFLKB-RMKNXTFCSA-N 425.311 6.726 30 10 IKEE CCCc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(OCC)cc3)c2)cc1 1874701491 VPHGYSVNTWPMRZ-WOJGMQOQSA-N 444.527 5.918 30 10 IKEE CCOc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(Cl)c(Cl)c3)c2)cc1 1874702850 MXSDETNBEXHVAU-AWNIVKPZSA-N 441.310 6.507 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OC(=O)COc1c(C)cccc1C 1874709514 FIMNJOONYMBGOY-NTUHNPAUSA-N 434.463 5.332 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cncc(C)c3)c2)cc1Cl 1874716688 DTQIZNIGCOGUNV-QPJJXVBHSA-N 437.879 5.176 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](C)CSc2nnc(COc3ccc(CCC)cc3)n21 1875065737 VPZGLFCWOALZOF-IBGZPJMESA-N 444.645 5.519 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)Cc3ccccc3F)c(OC)c2)cc1 1875100214 TZXQTPTVETUGEP-SDNWHVSQSA-N 448.490 5.450 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)cc1)c1ccc([N+](=O)[O-])cc1 1875116615 KCGVDUNVMJZUHN-OTRDLXLWSA-N 447.874 5.853 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)Cc1cccs1 1875123001 RPWFETIIJPJYML-RUDMXATFSA-N 447.339 6.108 30 10 IKEE O=C(COc1ccc(Cl)cc1)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1Cl 1875127909 DYYIUEHSEMAMTA-WUXMJOGZSA-N 427.283 5.874 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccccc3)c(Cl)c2)cc1 1875129472 DPDREXSIYBKXSE-RIYZIHGNSA-N 436.891 5.619 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)cc3F)c([N+](=O)[O-])c2)cc1 1875135671 BODUBAKZPVSTPX-ONNFQVAWSA-N 437.398 5.226 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C)cc(C)c3OC)cc2Cl)cc1 1875170533 CYABPPRMYFQRNV-XYOKQWHBSA-N 448.946 6.643 30 10 IKEE COc1cc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(C)c3)cc2)c(OC)cc1Cl 1875173260 UNVVCAVFWPIKHY-FMIVXFBMSA-N 436.891 5.781 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1cc2ccccc2n1C 1875178922 JXDBOKCIJCDXGA-JLHYYAGUSA-N 439.511 5.919 30 10 IKEE COCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1OC 1875184021 DZVXLZFOPZATJP-PKNBQFBNSA-N 440.536 5.148 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccs3)c([N+](=O)[O-])c2)cc1Cl 1875188910 OZLXCXUGYHBAHR-QPJJXVBHSA-N 443.864 5.434 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)ccc1OC(=O)CC(C)(C)C 1875191908 KJJFZMPMTYHRSM-JLHYYAGUSA-N 432.516 6.095 30 10 IKEE O=C(Nc1cccc(-c2ccc(C(F)(F)F)cc2)c1)c1ccc(F)cc1C(F)(F)F 1890642705 XGMILXFDACYOIG-UHFFFAOYSA-N 427.319 6.783 30 10 IKEE N#Cc1cncc(C2=CCN(C(=O)c3[nH]c4ccc(Cl)cc4c3-c3ccccc3)CC2)c1 1891448401 SYEUHRMHBPHRLA-UHFFFAOYSA-N 438.918 5.684 30 10 IKEE CN(C)c1ccc(C=Nc2ccc3c(c2)C(=Cc2ccc(N(C)C)cc2)c2ccccc2-3)cc1 1933220000 MRDRCYQHHJZNJG-UHFFFAOYSA-N 443.594 7.139 30 10 IKEE CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@@](C)(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1936065310 AYFVCMFAFCWMGP-VGOFRKELSA-N 437.606 5.317 30 10 IKEE CC(C)[C@H](NC(=O)OC(C)(C)C)[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 1941060311 ADLIESGZHYRKQK-MBSDFSHPSA-N 435.540 5.399 30 10 IKEE C#Cc1ccccc1[C@H]1[C@H](C(=O)O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21 1952944452 UUIZYCKQCYZCNV-RSXGOPAZSA-N 437.495 5.065 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CC(C)(C)[C@@H]1OCc1ccccc1 2038724283 ITHVKMFFIVIHCS-BKMJKUGQSA-N 436.552 5.714 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1C[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2048078346 REUHPQYLBOVDBA-NBGIEHNGSA-N 443.588 5.890 30 10 IKEE Cc1cc(N(Cc2ccccc2)[C@H](C)c2cccs2)ncc1B1OC(C)(C)C(C)(C)O1 2052558060 BKINWVFVPLIULL-LJQANCHMSA-N 434.414 5.519 30 10 IKEE Oc1c(I)cc2oc3c(c2c1C=NC1CCCCCC1)CCCC3 2053515710 GRBFZNXJOWEFAS-UHFFFAOYSA-N 437.321 5.764 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c2)cc1 2053611947 UWBCCRXZFIETDF-UHFFFAOYSA-N 431.488 6.589 30 10 IKEE CC[C@@H](c1ccc(C2CCC2)cc1)n1nc(C2(C)CC2)c(C#N)c1I 2079971546 IJSBSMJVJPDJRH-SFHVURJKSA-N 445.348 5.678 30 10 IKEE CC1([C@@H](c2ccc(C(F)(F)F)c(F)c2)n2nc(C3CC3)c(C#N)c2Br)CC1 2079984635 KRYYLXSKKLJGCR-MRXNPFEDSA-N 442.254 5.942 30 10 IKEE Cc1cc(Br)ccc1Cn1nc(C2CCCCC2)c(C#N)c1Br 2080305894 BZDIEOFXMHOMMI-UHFFFAOYSA-N 437.179 5.684 30 10 IKEE CC1(C)OB([C@H]2CCCN(Cc3ccc(Cl)c(Br)c3F)C2)OC1(C)C 2110462763 ZMUOAVKRRQMAPP-ZDUSSCGKSA-N 432.570 5.300 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Br)ccc1Cl)NCC 2110498350 PPUXHTALDCXQME-ZWKOTPCHSA-N 445.829 5.483 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCCC[C@]12CCNC2 2156247265 JCEMMYDAABLGRB-NHCUHLMSSA-N 434.378 5.007 30 10 IKEE CC(C)(C)OC(=O)N(CCNc1cccc(Br)c1C#N)C1CCCCCC1 2162420768 ZJNGTDPCULPTMX-UHFFFAOYSA-N 436.394 5.693 30 10 IKEE CCCN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cc(Br)cc(F)c1C#N 2174812074 GWUGXKROHWPDAG-HNNXBMFYSA-N 440.357 5.076 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](CNc2cc(Br)cc(F)c2C#N)C12CCC2 2177339678 RFMGXQXYCOFWQG-ZDUSSCGKSA-N 438.341 5.051 30 10 IKEE C[C@@H](CC1CCN(c2ccc(C#N)cc2Br)CC1)N(C)C(=O)OC(C)(C)C 2203591732 HVIFNZKAPNRFCF-HNNXBMFYSA-N 436.394 5.183 30 10 IKEE C=CCCCCCCCC[C@@H](N)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2207424512 GDVQNROPABJKIR-HXUWFJFHSA-N 439.438 7.103 30 10 IKEE C[C@H](c1cccs1)N(Cc1ccccc1)Cc1nscc1B1OC(C)(C)C(C)(C)O1 2214603649 SZUGGKBTJQNLQA-QGZVFWFLSA-N 440.443 5.267 30 10 IKEE CCCC#CC[C@H](NCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237404247 DKDNMXDVRORTQK-VQTJNVASSA-N 437.422 5.057 30 10 IKEE C=C(C)CCCC[C@@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 2250135308 FFZZZOHJSMDGTB-BJKOFHAPSA-N 432.649 5.991 30 10 IKEE C=C(COCc1ccccc1)[C@@](C)(OCCCN)c1ccc(OCc2ccccc2)cc1 2262619071 JFAHPPSXBZVIIS-MUUNZHRXSA-N 431.576 5.619 30 10 IKEE C=C(C)CCCC[C@H](NC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2287381650 ZGCVRFIECFQYJX-VQTJNVASSA-N 439.438 5.609 30 10 IKEE O=C1NC(=Nc2ccc(F)cc2)SC1=Cc1ccc(OCc2ccccc2Cl)cc1 2294013831 DTGOSLVVQYMMSV-UHFFFAOYSA-N 438.911 5.950 30 10 IKEE CCOC(=O)C1=C(Nc2ccc(Cl)cc2)SC(=Cc2ccc(SC)cc2)C1=O 2294017450 RZTQDOUJVFDNMR-UHFFFAOYSA-N 431.966 5.606 30 10 IKEE CCN1C(=O)C(=C2Sc3ccccc3N2CC)SC1=Nc1cc(Cl)ccc1OC 2295201926 RTLBKWYUAOTTRV-UHFFFAOYSA-N 445.997 5.733 30 10 IKEE C[C@@H](C(=O)C#Cc1ccc(Br)cc1)c1ccc(NC(=O)OC(C)(C)C)cc1 2296225168 RWLBSGHYWYVTEU-OAHLLOKOSA-N 428.326 5.520 30 10 IKEE C=Cc1ccc(COc2ccc3c(c2)OC(=Cc2cc(OC)c(OC)cc2OC)C3=O)cc1 2296868444 DYSUGTCDMNCRCS-UHFFFAOYSA-N 444.483 5.551 30 10 IKEE COc1ccccc1COc1ccc2c(c1)OC(=CC1=Cc3ccccc3O[C@@H]1C)C2=O 2296868544 RTEUYVDLVWAUKU-QGZVFWFLSA-N 426.468 5.598 30 10 IKEE C=CCN=C1S[C@H](CC(=O)Nc2ccc(Cl)cc2)C(=O)N1C1CCCCCCC1 2297451604 YFSUMVLXPNFICS-LJQANCHMSA-N 434.005 5.268 30 10 IKEE C=CCN1C(=O)C(=CC(Cl)=Cc2ccccc2)SC1=Nc1ccc(C(=O)O)c(O)c1 2314926432 JAIVANUZWQTNGR-UHFFFAOYSA-N 440.908 5.003 30 10 IKEE CCc1nnc(SCc2cccc(C)c2)n1N=Cc1cc(Br)ccc1F 2320965972 RLAYLBMKQABLHW-UHFFFAOYSA-N 433.350 5.225 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(CC)n2N=Cc2ccc(C(C)(C)C)cc2)o1 2321000218 KTYMNUIEGPQFEN-UHFFFAOYSA-N 440.569 5.082 30 10 IKEE C[C@H](N1COc2ccc3c(c2C1)OC(=Cc1cccs1)C3=O)C12CC3CC(CC(C3)C1)C2 2322261111 SLHGFGAAWCZPBG-ZCZKMIILSA-N 447.600 6.121 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2c(OCc3ccccc3F)ccc3ccccc23)cc1 2322391579 XCNPGXHWXRJGPG-UHFFFAOYSA-N 438.542 7.797 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(F)c(C)c2)c1OCc1nc(O)c2ccccc2n1 2322638063 BWFHUSPONCWXDK-UHFFFAOYSA-N 444.462 5.267 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(F)cc2)c1OCc1ccc([N+](=O)[O-])cc1 2322748312 SQDGVBCSWHJCGR-UHFFFAOYSA-N 441.842 5.871 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccccc2OCC(=O)OCCC)cc1 2322748876 MWLUTUWGILPUBO-UHFFFAOYSA-N 438.564 6.264 30 10 IKEE Cc1ccc(C(=O)C=Cc2c(OCc3c(F)cccc3Cl)ccc3ccccc23)cc1C 2322886627 RAOVQHWIRKHIIX-UHFFFAOYSA-N 444.933 7.724 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2cccc(C=CC(=O)c3cccc4ccccc34)c2)c1 2323203405 DYKVODRKIZIGLA-UHFFFAOYSA-N 435.523 6.370 30 10 IKEE O=C(C=Cc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N(Cc1ccccc1)Cc1ccccc1 2323208248 XAYFAUTYBKMLGF-UHFFFAOYSA-N 434.879 5.060 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)c4cccc5ccccc45)cc(C)c3C2=O)cc1 2323476261 FBQSLRCGCLQRJP-UHFFFAOYSA-N 436.463 5.992 30 10 IKEE CCCCCCCOc1ccccc1C=Nn1c(S)nnc1-c1ccccc1OCC 2323524653 TZXBNSMTUOWJSC-UHFFFAOYSA-N 438.597 5.864 30 10 IKEE CCCOc1c(OCC)cc(C=CC(=O)c2cccc(Br)c2)cc1[N+](=O)[O-] 2323659556 ZIPOZOUOZZVZHJ-UHFFFAOYSA-N 434.286 5.441 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)cc(OC)c1OCc1ccc(C)cc1 2324035509 PDHXXEMZXNQVDR-UHFFFAOYSA-N 446.499 5.259 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccc(OC)c(F)c2)cc1Cl 2324110825 ANHLFBHZCOLJCM-UHFFFAOYSA-N 447.934 5.411 30 10 IKEE Cc1c(OCC(=O)OCc2ccccc2)ccc2c1OC(=CC=Cc1ccccc1)C2=O 2324233763 WXEIRYNWEJHRTH-UHFFFAOYSA-N 426.468 5.290 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(O[C@H](C)C(=O)Nc4ccc(F)cc4)c3C)C2=O)cc1 2324319247 CAKRIKFXUKFMKZ-QGZVFWFLSA-N 445.490 5.719 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccncc2)C3=O)cc1Cl 2324356068 YDDNKSBXIUPSHL-MRXNPFEDSA-N 448.906 5.374 30 10 IKEE CCCOC(=O)COc1c(Cl)cc(C=CC(=O)c2ccc(C)c(C)c2)cc1OCC 2324451467 PKPIYDMTNNPOBX-UHFFFAOYSA-N 430.928 5.584 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OCC(=O)Nc1c(C)cccc1C 2324456056 PXLRMACOWXBEHZ-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE C=C(C)COc1c(Br)cc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OC 2324561487 XBSCXDCLNRBFSQ-UHFFFAOYSA-N 429.354 6.234 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)OC(=Cc1cccc(F)c1)C2=O 2325142111 JFZRVJCMCNXOGR-SFHVURJKSA-N 445.490 5.773 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc(O)c(O)c1 2325571918 UTTCRIJHAJGJBV-UHFFFAOYSA-N 437.352 5.123 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2325715775 NQTZBPJMAPFHNF-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)C(C)C)c2)cc1OCCC 2325726563 POOUYHLGSLDIHR-UHFFFAOYSA-N 440.536 5.730 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cccc(OC(=O)Cc2ccc(C)c(C)c2)c1 2325763332 RYIZWEAQXGIRCD-UHFFFAOYSA-N 448.946 6.318 30 10 IKEE CC(C)Oc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2)cc1 2326231955 ZJUBWPJXNQZGDO-UHFFFAOYSA-N 442.588 5.831 30 10 IKEE COc1ccc(C=Nn2cnnc2SCc2c(F)cccc2Cl)cc1OC(C)C 2326567532 OYAARDFHOHDFAT-UHFFFAOYSA-N 434.924 5.041 30 10 IKEE CCCOc1ccc(C=Nn2c(CC34CC5CC(CC(C5)C3)C4)nnc2SCC)cc1 2326906660 ZELBVVMHNSCSJK-UHFFFAOYSA-N 438.641 5.820 30 10 IKEE CCCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(N(C)C)cc1 2327778722 UEKWICKLVUCSBY-UHFFFAOYSA-N 429.593 5.472 30 10 IKEE Cc1ccccc1CSc1nnc(COc2c(C)cccc2C)n1N=Cc1ccco1 2328546839 CLOPFKXJOFUUNR-UHFFFAOYSA-N 432.549 5.550 30 10 IKEE CCCOC(=O)CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1ccc(Cl)cc1 2330149983 XHUUVAIYLUOTHI-MRXNPFEDSA-N 442.972 5.011 30 10 IKEE CSc1nnc(-c2ccccc2)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2330621901 LGSDNZYYJBRTGD-UHFFFAOYSA-N 434.952 5.782 30 10 IKEE CCOc1cccc(C=Nn2c(CC(C)(C)C)nnc2SCc2cc(C)ccc2C)c1 2330846575 NQSAIQOPAFKDMX-UHFFFAOYSA-N 436.625 6.057 30 10 IKEE CCc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2[C@@H]2CCCO2)cc1 2330994070 PXXHHXMRLSZYLK-FQEVSTJZSA-N 426.973 5.520 30 10 IKEE CCSc1nnc(C2CCCC2)n1N=Cc1ccc(N(CC)Cc2ccccc2)cc1 2331056915 WJFAHIUZYHJTHI-UHFFFAOYSA-N 433.625 5.956 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2-c2ccccc2)cc1)c1ccc(Cl)cc1 2331141270 GVSCXQKTBUYOKN-UHFFFAOYSA-N 438.910 7.122 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1OC 2331156619 MCKWUURWYKITNQ-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)c(F)c3)c(Cl)c2)cc1 2331195457 AEUSBGIVIDSFLM-UHFFFAOYSA-N 442.845 6.132 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccc2c(c1)OCCO2 2331338078 YJFGZMTUXDHISS-UHFFFAOYSA-N 436.581 5.183 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)c1ccccc1 2331347070 RZNPPONNVNRLGB-UHFFFAOYSA-N 430.475 5.987 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3OC)cc2)c(OC)c1 2331351657 MRZYGPRYRJTZLM-UHFFFAOYSA-N 446.499 5.065 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3OC)cc2[N+](=O)[O-])c1 2331362141 AYGHANYZGTXEAX-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)CCCSC)c(Cl)c2)c1 2331385742 ZURFPFNWOKASFZ-UHFFFAOYSA-N 434.941 5.302 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1ccc(C)c(C)c1 2331449224 ALTZJVIIPLPAAE-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE Fc1ccc(CSc2nnc(C3CCC3)n2N=Cc2c(Cl)cccc2Cl)cc1 2331492637 BSDREKNTHLOTQC-UHFFFAOYSA-N 435.355 6.166 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(SCc2ccc(F)cc2)nnc1C1CCC1 2331499688 HBLYGSNMHIRSBP-UHFFFAOYSA-N 446.551 6.021 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2Cl)cc1C 2331520930 RBVDRZNUQHCABQ-UHFFFAOYSA-N 438.882 5.976 30 10 IKEE CCCCCOc1ccc(C=Nn2c(CCC)nnc2SCc2ccccc2C)cc1 2331632499 AGVUDJMCDCFCON-UHFFFAOYSA-N 436.625 6.283 30 10 IKEE CC(C)c1nnc(SCc2ccccc2Cl)n1N=Cc1cccc(Br)c1 2331702138 RVHOCJYJAUYORB-UHFFFAOYSA-N 449.805 5.992 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3c(C)cc(C)cc3C)cc2Cl)cc1 2331768572 UNRZHTSMOVHVIA-UHFFFAOYSA-N 434.919 6.389 30 10 IKEE Cc1ccccc1CCC(=O)Oc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1 2331786954 IHADRAUSOHBYML-UHFFFAOYSA-N 440.583 7.035 30 10 IKEE CC1(C)C[C@H](CNc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN1Cc1ccccc1 2365103289 LCKQTJWYOPLZSF-HSZRJFAPSA-N 447.432 5.439 30 10 IKEE CC[C@H](C)c1ccc(O)c(/N=C/c2cc(Cc3ccccc3Cl)cc([N+](=O)[O-])c2O)c1 1948856 QSXNZZVTGFETRU-IXORVSQSSA-N 438.911 6.514 30 10 IKEE COc1cc(/C=C2\S/C(=N\C3CCCC3)NC2=O)ccc1OCc1ccccc1Cl 2664306 NBTNXZOVDNDXIH-BKUYFWCQSA-N 442.968 5.430 30 10 IKEE CCc1cccc(C)c1NC(=S)N/N=C1\C(=O)N(Cc2ccccc2C)c2ccccc21 3041686 LIGZZNOWZBXPDQ-COOPMVRXSA-N 442.588 5.103 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1ccc(C(C)(C)C)cc1 14101701 ZUOVZMNOFLHFBA-UHFFFAOYSA-N 434.609 5.776 30 10 IKEE Cc1ccc(C(=O)C[C@@H]2S/C(=N\c3cccc(C)c3)N(c3cccc(C)c3)C2=O)cc1 15055172 LHSQWRCVIHKVIU-QWEPBSKHSA-N 428.557 6.021 30 10 IKEE CCc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(N(C)C)cc2)cc1 21223173 QCBDJKHENAAGJV-PZGXJGMVSA-N 437.587 6.295 30 10 IKEE O=C1C[C@@H](c2cccc3ccccc23)C2=C(C[C@@H](c3ccc(Cl)c(Cl)c3)CC2=O)N1 21226828 OEGXJZBQQFFILZ-APWZRJJASA-N 436.338 6.151 30 10 IKEE CCCCOc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(OC(C)C)cc1)C2 21246693 OUASMXLGAJHLGT-REWPJTCUSA-N 447.575 5.657 30 10 IKEE CC(C)(C)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 21253239 QATBZXMNFOSKTJ-DWXRJYCRSA-N 428.601 7.025 30 10 IKEE N#Cc1c(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2)sc2c1CCCC2 27520251 FJUNCNZFYSAJPD-COOPMVRXSA-N 425.513 5.729 30 10 IKEE C=C(C)[C@H](O)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C 28646769 MHGLNDDJLDJDBG-BBEZHFTESA-N 442.728 7.140 30 10 IKEE CCc1ccccc1N/C(=N\C(=O)c1ccc(C(C)(C)C)cc1)NCc1c(C)nn(C)c1C 32972325 VTFVMFRVUXIOTF-UHFFFAOYSA-N 445.611 5.295 30 10 IKEE Cc1c(C(=O)Oc2cccc3cccnc23)oc2c1/C(=N/Nc1ccc(F)cc1)CCC2 40823919 BRRKTQASIVLWIB-VUTHCHCSSA-N 429.451 5.647 30 10 IKEE O=[N+]([O-])c1ccc(N/N=C(/CSc2nc3ccccc3o2)c2ccc([N+](=O)[O-])cc2)cc1 59460542 IKPZLYNRUOMTFR-CLCOLTQESA-N 449.448 5.253 30 10 IKEE Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C\c1c(F)cccc1Cl 96402198 QMBOIQDSHDSPTQ-QBFSEMIESA-N 436.313 7.552 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)CNc1cccc(OCC(C)C)c1 100081811 OKRBGNKVFIUDPA-UHFFFAOYSA-N 446.720 7.731 30 10 IKEE Cc1cccc(NC(=O)[C@H]2CC(=O)N(Cc3ccc(F)cc3)/C(=N/c3ccccc3)S2)c1 100146207 SYNAODGVENOFQC-AOKXBXCXSA-N 447.535 5.295 30 10 IKEE O=C1/C(=C\c2c(F)cccc2Cl)Oc2cc(OS(=O)(=O)c3ccc(F)cc3)ccc21 103022552 JWJKFFLWSJNNSQ-RGVLZGJSSA-N 448.830 5.002 30 10 IKEE CC(C)Oc1c(Cl)cc(/C=N\n2c(S)nnc2COc2ccccc2)cc1Cl 169914326 RFVIEWZZHLTKKP-YVNNLAQVSA-N 437.352 5.122 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2cccc(C)c2)cc1 169922698 YXDWRYRCEJWFQH-XMMPIXPASA-N 438.483 5.268 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2cccc(C)c2)c(C)c1 169970006 OMIJPFBDKKSYQF-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@@H]1c1ccccc1 170050616 LRMUJHJBZIRESE-HSZRJFAPSA-N 435.882 5.581 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccc(F)cc2)cc1C 170062386 SCHJFXBXIYJCAY-DEOSSOPVSA-N 429.491 5.842 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccc(C(C)C)cc2)c1 170067417 KCJFHMSGQIONTQ-RUZDIDTESA-N 440.543 5.600 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccccc1F 170071152 TVPCIOVOLXUIPZ-QHCPKHFHSA-N 435.882 5.581 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccccc2C)cc1 170089434 DLELYDGPZRUEOK-AREMUKBSSA-N 441.527 5.496 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)c(C)cc4[nH]3)[C@H]2c2ccco2)cc1C 170098803 KNKGPTMWPOLRFE-QFIPXVFZSA-N 441.487 5.172 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1c1ccc(Cl)cc1 170106457 KJUBVSZJFIAIFS-HXUWFJFHSA-N 448.931 5.974 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(O)cc1 170132831 NCCYYPADADMJFF-XMMPIXPASA-N 441.527 5.781 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccc(O)cc2)c1 170133344 OTILJWVILMXVHZ-DEOSSOPVSA-N 443.499 5.272 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(C)c2)c1 170148449 AYXNUONQWAFBEC-QFIPXVFZSA-N 439.939 5.568 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccn2)cc1C(C)(C)C 170179194 HVEKPZIWPAVRED-QHCPKHFHSA-N 448.563 5.299 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1ccccc1 170229068 IEFCPTIHGHFADU-QFIPXVFZSA-N 449.453 5.373 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1ccccc1)c1ccc(Cl)cc1 170229542 QLTVVFMHAMBGDZ-FQEVSTJZSA-N 425.818 5.401 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@H]1c1ccc(Cl)cc1 170236682 HKTVJMZSLQZRSM-HXUWFJFHSA-N 448.346 5.771 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)c(Cl)c2)[C@@H]1c1ccccc1F 170252857 BDVAQXAKQKFCQW-KRWDZBQOSA-N 438.282 5.129 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2C)cc1C 170272248 OUAJHNOZAJDLRW-RUZDIDTESA-N 441.527 5.875 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccco2)ccc1Cl 170281859 VBVOWAWZQLMUJM-LJQANCHMSA-N 445.805 5.003 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@@H]2c2ccco2)cc1C 170285080 JJCDLWPBECGUBO-DEOSSOPVSA-N 445.515 5.775 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(C)o2)ccc1Cl 170298871 HPLRSFKAAXYSHD-HXUWFJFHSA-N 441.842 5.172 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2ccc(Cl)cc2)o1 170303233 KYSRHTVVDYHDCL-HSZRJFAPSA-N 443.886 6.178 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(F)cc2F)o1 170305870 SLZSUKWOLZPBSV-IBGZPJMESA-N 429.806 5.303 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)cc(OC)c3o2)[C@@H]1c1ccc(C)o1 170309413 DXIAUQVKKIIWIW-IBGZPJMESA-N 443.883 5.375 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2ccc(C(C)C)cc2)cc1 170379334 CNEVRJINXWQMPX-XMMPIXPASA-N 442.515 5.387 30 10 IKEE Cc1ccc(Nc2nc(NN=Cc3ccccc3O)nc(Nc3ccc(C)cc3)n2)cc1 254295683 CTRBSLYSQYAQOJ-UHFFFAOYSA-N 425.496 5.127 30 10 IKEE CC(=NOCc1ccc(C)cc1)c1cc(-c2ccc(F)cc2)n(-c2cccc(C)c2)c1C 254734935 LTXABRYQWSVRFB-UHFFFAOYSA-N 426.535 7.149 30 10 IKEE CCOc1cc(/C=N\n2c(C)nnc2SCc2ccc(C)cc2C)cc(Cl)c1O 526810722 JHUPKGIQQTYOJA-KSEXSDGBSA-N 430.961 5.136 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1cccc(OCC)c1 526817965 JWHPBATXXKLPIA-QFEZKATASA-N 446.979 5.986 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1ccc(OCCC)cc1 526818804 ATQQFXKAFXDIIL-ONUIUJJFSA-N 436.625 6.201 30 10 IKEE Cc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccc(Br)cc1 526821486 VHHIHSMVLJGFGZ-QRVIBDJDSA-N 437.366 5.677 30 10 IKEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1ccc(Oc2ccccc2)cc1 585254367 KNKBOBZUUYOOJB-UHFFFAOYSA-N 425.406 5.310 30 10 IKEE N#Cc1cccc(CN(c2ccc(N3CCCCC3)cc2)S(=O)(=O)c2ccc(F)cc2)c1 586203290 MIERHXFYPOBOIP-UHFFFAOYSA-N 449.551 5.083 30 10 IKEE CC[C@H](C)c1cc(B2OC(C)(C)C(C)(C)O2)cc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 607718040 UVLSOCHWRZSFSV-ROUUACIJSA-N 444.425 5.009 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCO[C@@H](C(F)(F)F)C1 698488926 MRPWYWDDGSTWSI-PBHICJAKSA-N 449.267 5.194 30 10 IKEE C[C@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)CN1C(=O)OC(C)(C)C 698826283 JBMHDHUHQZVCJZ-HJPURHCSSA-N 449.979 5.763 30 10 IKEE C=CC[C@@H](C)[C@H](NCCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 715762576 RFNFCEXVGGHWLV-GGAORHGYSA-N 429.649 5.126 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CC[C@@H]2COCC[C@H]2C1 723663574 MQESSAIWQXGBFK-GCKMJXCFSA-N 435.362 5.290 30 10 IKEE CSc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2ccc(Cl)cc2)cc1 725328611 APBFPPACHHPQPG-LFIBNONCSA-N 430.960 6.811 30 10 IKEE CCCCCCCN1C(=O)C[C@H](C(=O)Nc2ccccc2)SC1=Nc1ccc(F)cc1 725391972 ZLNLIYIECUBHAL-OAQYLSRUSA-N 441.572 5.756 30 10 IKEE N#CCCN(Cc1ccco1)C(=O)/C=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 1087632678 UXOQZNQQFRKQFF-KAMYIIQDSA-N 440.478 5.227 30 10 IKEE Oc1cccc(N/C(=N/Cc2cc(Br)ccc2F)NC2CCCCCC2)c1 1088736376 YIJQKXIQYNDWIC-UHFFFAOYSA-N 434.353 5.574 30 10 IKEE CC([C@@H](C1=C(N2CCOCC2)/C(=C\c2ccc(Cl)cc2)CC1)c1ccccc1)=[N+]([O-])O 1614950426 WTAUPWQYSHBZHQ-VKCJIPKCSA-N 438.955 5.248 30 10 IKEE COc1ccc(C)cc1-c1csc2nc(C(C)C)n(Cc3cccc(C#N)c3)c(=O)c12 1857802237 AULRUBXJFAYBLG-UHFFFAOYSA-N 429.545 5.485 30 10 IKEE C[C@@H]1CCc2c(sc(NC(=O)CSc3nc(-c4cccs4)cs3)c2C#N)C1 1860807485 OWDNQYBSRIVGLD-LLVKDONJSA-N 431.633 5.660 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)Cc1ccc(OCCC)c(C)c1 1860988835 YCHLZIKUYNAEHT-XMMPIXPASA-N 444.660 5.574 30 10 IKEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)COc1ccc(Cl)cc1Cl 1861675116 NNODBIQUIPNQCO-UHFFFAOYSA-N 445.431 5.524 30 10 IKEE CCCCCCCCNC(=O)[C@H]1CCCN1C(=O)CCCOc1ccc(C(C)(C)C)cc1 1861693344 XIWWQPCLKKCZSV-XMMPIXPASA-N 444.660 5.611 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(CCCC)cc2)n(Cc2cccc(F)c2)n1 1862335185 SWTDASTYMSBKMK-UHFFFAOYSA-N 431.555 5.894 30 10 IKEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc(C)c2)cc1 1862475565 PKLUZOIXZSCLPI-UQBPGWFLSA-N 441.527 5.652 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)cc1 1862479643 MGBINVGPCLYENS-RZPHLTDDSA-N 447.575 5.941 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CC)cc1OC 1862499210 BEWICRNCUJGTQV-HSZRJFAPSA-N 437.536 5.089 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(F)cc1 1862501521 DVOALGIJARZBDR-NZQKXSOJSA-N 441.518 6.210 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccc(F)cc2)c1 1862501651 HPHIAZIFOUBDLS-XMMPIXPASA-N 447.481 5.669 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccccc2C)cc1 1862531708 AXRDSFXNMSRQSC-VWLOTQADSA-N 429.560 6.026 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1c(F)cccc1Cl 1862549092 IAJSGZLZUCZCJQ-FPTDNZKUSA-N 441.930 5.735 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C(C)C)cc1 1862622579 FWQFNTNNKPFDKM-XMMPIXPASA-N 449.591 6.150 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862661867 DSGWDKHONYTZNP-AREMUKBSSA-N 439.555 6.151 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2cccc(OC)c2)cc1 1862688074 RRDKLQAOBBWUSO-MZNJEOGPSA-N 443.499 5.043 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccccc2Cl)cc1 1862689564 TXBDQAGVETYZES-GNSUPJDDSA-N 439.939 5.506 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc(Cl)c1 1862711900 FLRMLSAVWZUNIK-DEOSSOPVSA-N 447.962 6.652 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(Cl)c1 1862759049 JJGZQVQBFIKZNW-GOSISDBHSA-N 449.290 5.280 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3cccc4ccccc34)C2=O)cc1C 1862874996 RJSLRTOQXQPHFX-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(Cl)cc3Cl)C2=O)cc1 1862900436 MXCKSJLILMNRGE-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE Cc1ccc(Cl)cc1NC1=C(c2ccccc2F)C(=O)N(c2ccc(C#N)cc2)C1=O 1862926165 ZGNXEXLHLLHBKA-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE N#Cc1ccc(N2C(=O)C(Nc3ccccc3Cl)=C(c3c[nH]c4ccccc34)C2=O)cc1 1863129912 YLYGYZRGJKEORK-UHFFFAOYSA-N 438.874 5.090 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@@H](C)CC)=C(c2ccc(OCC)cc2)C1=O 1863568983 ZOVUQXQDKLWAHD-FQEVSTJZSA-N 428.617 5.694 30 10 IKEE CCCCCCCCCCNC1=C(c2cc(C)ccc2C)C(=O)N(CCC(C)C)C1=O 1863747220 JOAFCKXSLOCQSY-UHFFFAOYSA-N 426.645 6.160 30 10 IKEE CCCCCCCCN1C(=O)C(NCCc2ccc(OC)cc2)=C(c2cccs2)C1=O 1863805655 YGNBXUYJWJTIFS-UHFFFAOYSA-N 440.609 5.029 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC[C@H]2Cc2ccc(Cl)cc2)nc(C(C)(C)C)n1 1869182028 QAPDLWXISOILRA-NRFANRHFSA-N 425.020 5.817 30 10 IKEE CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSc1nc2ccccc2s1 1870233186 FDZFZVZDNIINDC-UHFFFAOYSA-N 433.558 5.221 30 10 IKEE C=CCOc1cn(Cc2ccccc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870810549 IFCUZXYETDCDHC-UHFFFAOYSA-N 437.543 5.817 30 10 IKEE C=CCOc1cn(Cc2ccc(Cl)cc2)c(CNc2ccc(CCCC)cc2)cc1=O 1870812380 SNKHRKJFDQGPMK-UHFFFAOYSA-N 436.983 6.070 30 10 IKEE CCCCCCCOc1cn(C[C@@H]2CCCO2)c(CNc2cccc(C)c2C)cc1=O 1870833547 NGUDGMDPJKLFKR-QHCPKHFHSA-N 426.601 5.605 30 10 IKEE CCCCCCCCNC(=O)Cc1csc(-c2ccc(Oc3ccc(F)cc3)cc2)n1 1871276516 GEAUXDDBYSEPPA-UHFFFAOYSA-N 440.584 6.761 30 10 IKEE C=CCOc1ccc(C(=O)Nc2ccc3oc(C(=O)c4ccc(Cl)cc4)c(C)c3c2)cc1 1871358023 FNFWZZVWKVFAMP-UHFFFAOYSA-N 445.902 6.443 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc(C)c3C2=O)c1 1871372678 FPUCTJBMZIQUTB-FBHDLOMBSA-N 449.846 5.700 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(O)c3CN3CCC(Cc4ccccc4)CC3)C2=O)c1 1871395390 QBDLWOJVTWATTN-IMRQLAEWSA-N 439.555 5.772 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCCOc4ccc(Cl)cc4)cc(C)c3C2=O)cc1 1871413038 RASQIXKLHCDLMY-UCQKPKSFSA-N 436.891 5.731 30 10 IKEE CCc1ccc(NC(=O)[C@@H](CC)Oc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871425703 NGSAFJZCGMRQBK-UELZEPHDSA-N 445.490 5.800 30 10 IKEE C[C@H](Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O)C(=O)Nc1nc2ccccc2s1 1871439859 PLPSZKCCMGCVAC-QXGSTRBFSA-N 448.525 5.380 30 10 IKEE CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871448999 QQBXUDJRWLQGSR-XLFQKYORSA-N 445.446 5.051 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccco2)C3=O)cc1 1871450265 DHGIWKSIXHDQPR-ZGWJWYQGSA-N 431.488 5.735 30 10 IKEE CCCCc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2)C3=O)cc1 1871455753 YPFYBKOILHXPKL-XYGWBWBKSA-N 441.527 5.971 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccccc3CC)ccc2C1=O 1871458430 JJUMTVBUKQJIHZ-MYYYXRDXSA-N 443.499 5.281 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 1871989872 CMVZZMCUEBXQDS-JOCHJYFZSA-N 449.016 5.331 30 10 IKEE CCCCCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)cc1 1872765845 YBKRZURBQBRHFV-QFIPXVFZSA-N 448.588 6.576 30 10 IKEE N#C[C@H](C(=O)c1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872769330 PHPXWBGAFWNJNG-LLVKDONJSA-N 442.154 6.914 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 1872770288 OZGYHDOZYDJVFD-KRWDZBQOSA-N 441.896 5.651 30 10 IKEE COC(=O)c1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 1872773657 UIVMZBNZOITYDT-MYHKYFONSA-N 444.556 5.784 30 10 IKEE N#C[C@H](C(=O)c1c(Cl)ccc(Cl)c1Cl)c1nc(-c2ccc(F)cc2)cs1 1872776799 YCJGAHFSAYOGJT-LLVKDONJSA-N 425.699 6.399 30 10 IKEE COc1ccccc1CC(=O)[C@@H](C#N)c1nc(-c2cc(Cl)cc(Cl)c2OC)cs1 1872778820 VIQGNHPIGWLXRP-OAHLLOKOSA-N 447.343 5.553 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(Cl)cc3)n2)c(OCC)c1 1872784208 PYCXAUOTDACPAB-IBGZPJMESA-N 440.952 5.680 30 10 IKEE CCCCC1CCC(C(=O)[C@@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)CC1 1872787711 PWKGNFGKJBIIPD-JTTJXQCZSA-N 435.420 7.290 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccccc2OC)=C(c2cccnc2)C1=O 1873075047 SXLRNOJSRQTNKO-UHFFFAOYSA-N 449.595 5.101 30 10 IKEE CSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1/N=C/c1sccc1C 1874195513 RXGMVNFQZOGAGK-HZHRSRAPSA-N 428.627 5.561 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1ccc(F)cc1F 1874224489 NLPIXMSKFMYJSO-WGOQTCKBSA-N 442.535 5.291 30 10 IKEE CCCc1ccc(OCc2nnc(SCC)n2/N=C/c2ccccc2OC(C)C)cc1 1874257826 URJJNMZTTJCGMB-PCLIKHOPSA-N 438.597 5.591 30 10 IKEE C=CCSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1ccc(C(C)(C)C)cc1 1874328260 FIFTUSAZAJJVEY-WGOQTCKBSA-N 434.609 5.932 30 10 IKEE CCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874339640 FLMPJNZNBNSURC-ZVHZXABRSA-N 444.988 5.312 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2/N=C/c2ccc[nH]2)cc1 1874350970 NJLAASCTAKZXDA-AFUMVMLFSA-N 437.956 5.034 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2C)n1/N=C/c1ccccc1O 1874360941 GATYLJMKFOMSPJ-WPWMEQJKSA-N 442.588 5.560 30 10 IKEE CCc1ccc(/C=N/n2c(COc3ccccc3)nnc2SCc2cccc(C)c2)cc1 1874383897 NPBAMRGCPCBDJD-WPWMEQJKSA-N 442.588 5.902 30 10 IKEE Clc1ccc(/C=N/n2c(COc3ccccc3)nnc2SCCc2ccccc2)cc1 1874384228 FSJQJEHRJIXNLJ-YZSQISJMSA-N 448.979 5.728 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCCC3)n2/N=C/c2cccc(Cl)c2)c1 1874455657 DAODPNYKBAKJEJ-AFUMVMLFSA-N 425.001 6.380 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CCCC2)cc1 1874455893 PCSGGAQBSKSPSU-CVKSISIWSA-N 439.028 6.887 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2-c2ccco2)cc1 1874467330 DFYJIXWCASWWGT-MFKUBSTISA-N 426.501 5.571 30 10 IKEE Cc1cccc(CSc2nnc(C(C)(C)C)n2/N=C/c2ccc(Cl)cc2Cl)c1 1874483820 PDLQTHWDZCOMPE-WYMPLXKRSA-N 433.408 6.365 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(F)cc1F 1874485437 VCQNCZQCZQAEAN-MZJWZYIUSA-N 436.531 6.182 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C(C)(C)C)c1 1874485880 QRJKXZYXWXPRSH-WYMPLXKRSA-N 433.408 6.365 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2ccccc2Cl)cc1 1874489587 YZGJCIFGBOYJQJ-ZMOGYAJESA-N 441.988 5.051 30 10 IKEE Cc1ccc(CSc2nnc(C3CCC3)n2/N=C/c2ccc(Cl)cc2Cl)cc1 1874493566 TYMNXOGJFQUYBN-WYMPLXKRSA-N 431.392 6.335 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2c[nH]c3ccccc23)c1 1874512094 VSVVQFYDVQOZDA-LGJNPRDNSA-N 446.580 5.113 30 10 IKEE COc1cccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C2CC2)c1 1874521310 MADJYIYRXVPTGJ-FOKLQQMPSA-N 433.364 5.645 30 10 IKEE CCCCCOc1ccc(/C=N/n2cnnc2SCc2ccc(F)cc2)cc1OCC 1874535972 GBRJFTQYRUYRJE-CVKSISIWSA-N 442.560 5.559 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2nc(O)c3ccccc3n2)cc1 1874579494 RDXAUXNLXZCJEM-ZRDIBKRKSA-N 430.891 5.772 30 10 IKEE Cc1cc(C(=O)/C=C/c2cc(Br)ccc2OCC(=O)OCC(C)C)ccc1F 1874580194 BTOMEBOMHRVLGR-VMPITWQZSA-N 449.316 5.371 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1OCc1ccc([N+](=O)[O-])cc1 1874593201 XOKAPQPQVOEIAY-RIYZIHGNSA-N 443.499 5.957 30 10 IKEE O=C(/C=C/c1cccc(OCc2c(F)cccc2Cl)c1)c1cccc(Br)c1 1874595016 POXGEDUHYXAKIR-ZHACJKMWSA-N 445.715 6.717 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1OCc1ccccc1C 1874600914 JMLTYTANRLLSDC-YRNVUSSQSA-N 427.327 6.786 30 10 IKEE O=C(/C=C/c1ccc(OCc2c(F)cccc2Cl)cc1)c1ccc(-c2ccccc2)cc1 1874601507 OQCZXJQVJGTHOO-WOJGMQOQSA-N 442.917 7.621 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3F)c([N+](=O)[O-])c2)cc1 1874604687 AHPPBZUTOQKGGJ-UKTHLTGXSA-N 448.450 5.210 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc([N+](=O)[O-])c1OCCc1ccccc1 1874605202 SMDIYXSEIIKWPR-NTCAYCPXSA-N 445.515 6.074 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Br)c2)cc(Br)c1OC 1874609851 NSIGZNLHJYJCII-VOTSOKGWSA-N 426.104 5.125 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2Cl)c(C)c1 1874614991 ATBXOLFURJFHIQ-YRNVUSSQSA-N 447.962 6.487 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2Cl)cc1 1874617977 CVXKDBVDYVQJSS-UKTHLTGXSA-N 447.962 6.433 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 1874621969 FJCJLUFWHNXJOW-GIDUJCDVSA-N 439.382 7.766 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OCc1cccc(C)c1 1874622636 NDXMBSQBQYCMAL-SOFGYWHQSA-N 436.891 5.861 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1OC(=O)Cc1ccccc1F 1874698779 NROYUMZAANMKRG-UXBLZVDNSA-N 426.390 5.157 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)C(C)C)c2)cc1 1874708592 KYUQJIUZLKIYOA-MHWRWJLKSA-N 438.564 6.502 30 10 IKEE CCOc1cccc(C(=O)Oc2cccc(/C=C/C(=O)c3cc(C)cc(C)c3OC)c2)c1 1874713203 KQLUVPKCSKIOGA-OUKQBFOZSA-N 430.500 5.826 30 10 IKEE Cc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3cc(Cl)ccc3Cl)c2)cc1 1874718130 AGTOWASWBDHYFG-FMIVXFBMSA-N 425.311 6.346 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(C)cc2C)CSc2nnc(C3CC3)n21 1874849469 FHWGYWKYZQNKAH-NRFANRHFSA-N 426.630 5.835 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1Br 1875121379 MRXNELFFEPKTFA-ZRDIBKRKSA-N 449.772 6.874 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC(=O)c1c(F)cccc1Cl 1875122782 VFAYIKZEGYRILI-WEVVVXLNSA-N 446.808 5.881 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC(=O)CCc1ccccc1C 1875127792 YJWHDZYDCZVYMT-VGOFMYFVSA-N 434.919 6.091 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c([N+](=O)[O-])c2)c1 1875139589 PJAMZWMALGOKHP-VZUCSPMQSA-N 446.415 5.235 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])cc1C 1875158101 FPPPAXRCEYZEEJ-VZUCSPMQSA-N 433.435 5.395 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1ccc(F)cc1 1875158388 UBPKIDIWMNZDOG-QQDOKKFESA-N 425.799 5.503 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1OC 1875168660 ONJANJZLPBFALS-ZHACJKMWSA-N 428.956 6.574 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3ccccc3)c(Cl)c2)cc1C 1875175441 PFVHXRIQTVSHID-SDNWHVSQSA-N 448.946 6.618 30 10 IKEE N#Cc1cccc(NC(=O)c2cc(-c3ccccc3)nc3ccc(Br)cc23)c1 1890882734 BIKQYTYICBCCRQ-UHFFFAOYSA-N 428.289 5.788 30 10 IKEE C[C@H]1[C@@H](Nc2cc(Br)c(C#N)cc2F)CC(C)(C)CN1Cc1ccccc1 1916248941 XELIGTSBDUBRSA-BTYIYWSLSA-N 430.365 5.561 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCOC[C@@H]1C(F)(F)F 1916555852 VWDGMOGLQRHQOV-WMLDXEAASA-N 449.267 5.052 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@](C)(O)c1ccc(Br)cc1Cl 1922064838 IFSOSLPIKYSTBJ-SFTDATJTSA-N 438.793 5.061 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1csc([C@H](C)NC(=O)OC(C)(C)C)n1 1922080524 OVBIPPYYQJZEPL-RXVVDRJESA-N 445.629 5.543 30 10 IKEE CC(C)(C)OC(=O)NCC[C@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C1 1949136260 XINXAGINDCMSSF-KOSHJBKYSA-N 429.561 5.405 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)C1CCCCC1)C2 1997329419 BNSSWJJAOLGBCS-NHKMSHSESA-N 433.593 5.380 30 10 IKEE C[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)[C@H](C)CN1C(=O)OC(C)(C)C 2031999372 HLFJJJFNOPMNSI-OJLQRUNKSA-N 447.551 5.495 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)C2(C#N)C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 2033848378 SZZBBMMCVGJSJM-VKSRLUHHSA-N 431.580 5.826 30 10 IKEE COc1ccc([C@@H](C2CCC2)n2nc(C(F)(F)F)c(C=NO)c2Br)cc1C 2080004627 DGURYVVYSHKGSZ-OAHLLOKOSA-N 446.267 5.179 30 10 IKEE COc1c2c(nc3c(-c4cc(F)ccc4C(F)(F)F)c(C(F)(F)F)nn13)CSC2 2081422521 XQMOFQIMOHYKKH-UHFFFAOYSA-N 437.340 5.328 30 10 IKEE Cc1ccc(N[C@H](C#N)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1 2134725775 NFPRWKVEXNUPKF-HHHXNRCGSA-N 434.539 6.830 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(Nc2cccc(Br)c2)CC12CCCCC2 2155294784 KANICTKFVQFFFP-HXUWFJFHSA-N 434.378 5.467 30 10 IKEE CC(C)N(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cc(Br)ccc1C#N 2174808453 OHJKPHYKIKSNFA-UHFFFAOYSA-N 436.394 5.183 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C 2235716635 GXIMMOGVFJOWST-MOPGFXCFSA-N 437.422 5.108 30 10 IKEE C#CCCN(CCC)C(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2243919930 ZXZGFESXEUZIHT-SANMLTNESA-N 446.591 5.202 30 10 IKEE CC[C@@H](C)N(Cc1ccccc1)C(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2247767853 GVKNWXLYBWQAEB-QGZVFWFLSA-N 427.781 5.080 30 10 IKEE CCN[C@H](CC=CC#CC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2256740084 RIRQSUPBYWVMJI-GMKZXUHWSA-N 442.644 5.459 30 10 IKEE CCOc1cc(C=C2C(=O)Nc3ccccc32)cc(Cl)c1OCc1ccccc1C#N 2293769013 JMTZDKPCHURSDM-UHFFFAOYSA-N 430.891 5.682 30 10 IKEE CCCCCCCCOc1ccc(C=C2SC(=O)N(c3ccc(O)cc3)C2=O)cc1 2296883248 PLAMASJBLAMQKA-UHFFFAOYSA-N 425.550 6.372 30 10 IKEE CCc1ccccc1N=C1SC(=Cc2ccccc2Cl)C(=O)N1c1ccccc1CC 2296977185 ZLIKNLUFMVQUGZ-UHFFFAOYSA-N 447.003 7.273 30 10 IKEE CCCN(CCC)C[C@@H](O)Cn1cc(C=CC(=O)c2ccc(OCC)cc2)c2ccccc21 2297359291 HCFKZLXAHFGJTC-XMMPIXPASA-N 448.607 5.419 30 10 IKEE CC(C)CN(CC(C)C)C[C@H](O)Cn1cc(C=CC(=O)c2ccccc2)c2ccccc21 2297359299 HJTYKSOEELGIMP-VWLOTQADSA-N 432.608 5.512 30 10 IKEE COc1ccc(CN2Cc3cc4cccc(C)c4nc3SC2=NCc2ccccc2)cc1 2297706829 UFPKFUQOEIPEPD-UHFFFAOYSA-N 439.584 6.216 30 10 IKEE CC1(C)C(=S)N(c2ccc(C#N)cc2)C(=NC23CC4CC(CC(C4)C2)C3)[C@@H]1N1CCCC1 2297736758 DATKXTKVNMQNCR-GZMUKRDFSA-N 446.664 5.564 30 10 IKEE C[C@@H]1[C@@H](C)[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)CCN1C(=O)OC(C)(C)C 2304201052 VNUPNNSFQLVEKO-GGUMNFRJSA-N 429.561 5.356 30 10 IKEE O=C1C(=Cc2ccccc2Cl)Oc2cc(OCc3ccc(Cl)c(Cl)c3)ccc21 2314438230 LXJFBBTXZRZRDA-UHFFFAOYSA-N 431.702 6.842 30 10 IKEE C=CCOc1ccccc1C=C1SC(=Nc2nc(C)cs2)N(C2CCCCC2)C1=O 2314543874 OFUNPTFAODHRAK-UHFFFAOYSA-N 439.606 5.953 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@]1(C)CCCCN1C(=O)OC(C)(C)C 2318947637 WPSLHJBMRAGHFO-NBGIEHNGSA-N 443.588 5.808 30 10 IKEE CCCCCCCCCOc1ccc(C=Nn2c(S)nnc2CC(C)C)cc1OCC 2321907997 CNKQJBQYMHFCSL-UHFFFAOYSA-N 446.661 6.176 30 10 IKEE CC(C)c1ccc(C=C2Oc3c(ccc4c3CN(Cc3ccccc3Cl)CO4)C2=O)cc1 2321958303 KVZZCYNIOMNQKW-UHFFFAOYSA-N 445.946 6.432 30 10 IKEE Cc1ccc(COc2cccc(C=Nn3c(S)nnc3Cc3ccc(F)cc3)c2)cc1 2321978959 SISXEYTWWBYFOJ-UHFFFAOYSA-N 432.524 5.066 30 10 IKEE O=C(C=Cc1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl 2322379321 VYIGKOFOGASHJX-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE Cc1cccc(CN2COc3c(cc4c(c3C)OC(=Cc3ccc(Cl)cc3)C4=O)C2)c1 2322432467 KDIPLAYIAJKLKX-UHFFFAOYSA-N 431.919 5.925 30 10 IKEE Cc1ccc(C)c(COc2ccc3ccccc3c2C=CC(=O)c2ccc([N+](=O)[O-])cc2)c1 2322474590 MYVWYIYTRLBKCW-UHFFFAOYSA-N 437.495 6.840 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccccc2Cl)cc1F 2322708581 AAHNWAFXTBVITA-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2ccccc2Cl)cc1F 2322711324 AYXONVLTDSOONR-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE Cc1c(OC(=O)c2ccc(C(C)(C)C)cc2)ccc2c1OC(=CC=Cc1ccccc1)C2=O 2322737797 QYZXURLLAMSRAC-UHFFFAOYSA-N 438.523 6.684 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccccc2OCc2cccc(Cl)c2)cc1C(C)C 2322788498 HQOGJKUPHAIGFM-UHFFFAOYSA-N 434.963 7.256 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cccc(OC)c1OCc1ccc(C)cc1 2322926714 LCJTVRJITVMACI-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE CCN(CC)C(=O)COc1ccc(Cl)cc1C=CC(=O)c1cc(Cl)ccc1Cl 2323003006 OZKUJFFWKUTPQO-UHFFFAOYSA-N 440.754 5.790 30 10 IKEE Cc1cccc(NC(=O)COc2cccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1C 2323099513 ONYNWLWSDAIZFK-UHFFFAOYSA-N 430.460 5.125 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(CN4CCC(C)CC4)c(O)cc(C)c3C2=O)cc1 2324154476 SOLDLMJLSOSJMV-UHFFFAOYSA-N 434.580 5.395 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OCCO)c(Br)c1 2324220782 LGGNZXWHKXAGHM-UHFFFAOYSA-N 433.342 5.022 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCCCc4ccccc4)c3C)C2=O)c(OC)c1 2324268964 JKJRBUAXAYEQLZ-UHFFFAOYSA-N 430.500 5.640 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2)C3=O)cc1Cl 2324354016 TVISVNOYRJDCBX-KRWDZBQOSA-N 447.918 5.979 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1 2324372302 MZDIFZWBYRNSGV-LJQANCHMSA-N 441.527 6.141 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(Cl)cc3Cl)n2)cc1C 2324406272 AZKJTVIYQSAFFL-QGZVFWFLSA-N 443.355 6.324 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1Cl 2324447376 WIAJWECCJNRYAR-UHFFFAOYSA-N 447.962 6.433 30 10 IKEE Cc1cccc(OCCOc2cc(C)c3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)c1 2324537050 JZZGZDDYHLMIGQ-UHFFFAOYSA-N 428.528 6.501 30 10 IKEE COc1cccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccc(Cl)cc4)ccc3C2=O)c1 2324609875 YKKUYCLECPWUKO-OAHLLOKOSA-N 449.890 5.371 30 10 IKEE CC(C)(C)c1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc4c(c3)OCCO4)n2)cc1 2324611552 HSQKYSTVDSQJMW-FQEVSTJZSA-N 444.556 5.768 30 10 IKEE CCOC(COc1ccc2c(c1C)OC(=Cc1c(Cl)cccc1Cl)C2=O)OCC 2324741740 AOEHAQUYQHEPAE-UHFFFAOYSA-N 437.319 5.696 30 10 IKEE Cc1c(OCCOc2ccccc2F)ccc2c1OC(=Cc1c(F)cccc1Cl)C2=O 2324857756 AKBPBHXZNZOTDZ-UHFFFAOYSA-N 442.845 6.001 30 10 IKEE Cc1c(OCC(=O)N[C@H](C)c2ccccc2)ccc2c1OC(=Cc1ccccc1F)C2=O 2325019634 MKSGCPSWRIESPG-QGZVFWFLSA-N 431.463 5.007 30 10 IKEE Cc1ccc(CCOc2cc(C)c3c(c2)OC(=Cc2cccc(Br)c2)C3=O)cc1 2325369873 YCVATSYTHMYZNI-UHFFFAOYSA-N 449.344 6.304 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3)n2N=Cc2sccc2C)c1 2325489138 MKJATZOQCUHCJS-UHFFFAOYSA-N 432.618 6.030 30 10 IKEE CC(=O)c1ccccc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1sccc1C)C2=O 2325571807 QLBGJAZZYKDZFT-UHFFFAOYSA-N 447.512 5.201 30 10 IKEE O=C(Oc1cccc(C=CC(=O)c2ccc(F)cc2F)c1)c1ccc(Cl)c(Cl)c1 2325725919 PSPRYCLCVZSFLV-UHFFFAOYSA-N 433.237 6.387 30 10 IKEE CCSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1ccccc1OC 2325883174 WDUKKYUSPSHHOJ-UHFFFAOYSA-N 446.576 5.446 30 10 IKEE CCCSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1cccc(Cl)c1 2326409331 KQGMOOWDJRNMLL-UHFFFAOYSA-N 443.016 5.944 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1ccc(Cl)c(Cl)c1 2326417934 UPJIJOCPGDPKJM-UHFFFAOYSA-N 433.408 6.329 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2OC)n1N=Cc1cccc2ccccc12 2328264217 ZCRLRXNOKNOSOD-UHFFFAOYSA-N 444.560 5.569 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3)n2N=Cc2ccc(F)cc2)cc1C 2328945515 BHIZYMUFZSEQQI-UHFFFAOYSA-N 444.579 5.994 30 10 IKEE Cc1ccc(C)c(CSc2nnc(COc3ccccc3)n2N=Cc2ccccc2C)c1 2329919075 FQNIQGTZTSLPJG-UHFFFAOYSA-N 442.588 5.957 30 10 IKEE CSc1nnc(CC2CCCCC2)n1N=Cc1ccc(OCc2ccccc2C)cc1 2330221484 JVNNFNIANBFUOA-UHFFFAOYSA-N 434.609 5.892 30 10 IKEE COc1ccc(C=Nn2c(Cc3cccs3)nnc2SCc2ccc(C)cc2)cc1 2330316781 KQEFXTRHJYWHAK-UHFFFAOYSA-N 434.590 5.422 30 10 IKEE C=CCSc1nnc(-c2ccccc2)n1N=Cc1ccc(OCc2ccccc2)cc1 2330679701 ZXZFLXBAAXPWIZ-UHFFFAOYSA-N 426.545 5.684 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)cc(Br)c1OC(=O)CC 2330765713 VVQCDLXPAUIWGP-UHFFFAOYSA-N 431.326 5.622 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3)c([N+](=O)[O-])c2)cc1 2330833594 UVARZQRXKDXSRF-UHFFFAOYSA-N 443.499 5.982 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1[N+](=O)[O-] 2330934150 RBJFSEUOQSGNJM-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(C(F)(F)F)n2N=Cc2cccc(Cl)c2)cc1 2331125989 XTJZNFLRYFTOTO-UHFFFAOYSA-N 441.822 5.033 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC(=O)Cc1cc(C)ccc1C 2331152770 NVFMWJSNOOJKRJ-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)Cc1cc(C)ccc1C 2331163305 USABGOODKGEJMG-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(-c3ccco3)n2N=Cc2c[nH]c3ccccc23)cc1 2331189543 VNDGBOYQIFCYAG-UHFFFAOYSA-N 444.476 5.102 30 10 IKEE CCSc1nnc(C(C)(C)C)n1N=Cc1ccc(OCCc2ccccc2)c(OC)c1 2331390165 PLRKCGZYHLDPTD-UHFFFAOYSA-N 438.597 5.200 30 10 IKEE CC(C)(C)c1nnc(SCc2ccccc2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2331396277 FWRFUVFIUUVGBM-UHFFFAOYSA-N 429.933 5.312 30 10 IKEE CN(C)c1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCO4)cc2Cl)cc1 2331437773 APQIBTSUSLFSFY-UHFFFAOYSA-N 449.890 5.250 30 10 IKEE CCc1ccc(C(=O)Oc2c(OC)cc(C=CC(=O)c3ccc(F)cc3)cc2OC)cc1 2331521352 UORHGMXUOXSRPB-UHFFFAOYSA-N 434.463 5.521 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)COc1ccc(C)c(C)c1 2331534468 LKYUUCGYPSZFOW-UHFFFAOYSA-N 448.490 5.722 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(C)c(C)c2)c(Cl)c1 2331662100 ZUFNFZKPKXBGKI-UHFFFAOYSA-N 448.946 6.698 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(F)cc2F)cc1 2331754713 UAKUILMXNHQDPB-UHFFFAOYSA-N 442.845 6.051 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1 2331875145 XMDAQHGBMFUPKR-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cc(OC)c(OC(=O)C(C)(C)C)c(OC)c1 2331876414 WWOBICHKDXYPRA-UHFFFAOYSA-N 432.900 5.213 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)CCCSC)c([N+](=O)[O-])c1 2331877033 JGDGQJUENRJPIT-UHFFFAOYSA-N 449.912 5.202 30 10 IKEE CCCCCCCC[C@@H](O)c1c(Cl)cc(Br)c(F)c1Br 2362306860 XNCWRVKIKLOLKI-GFCCVEGCSA-N 430.583 6.788 30 10 IKEE CC1(C)CC=C(B2OC(C)(C)C(C)(C)O2)CN1C(=O)c1ccccc1OCc1ccccc1 2362664203 JYYLMSNUNMCZFJ-UHFFFAOYSA-N 447.384 5.448 30 10 IKEE CC1(C)OB(C=Cc2ccc(N[C@H]3CCN(Cc4ccccc4)C4(CC4)C3)nc2)OC1(C)C 2365056022 ZFXLRLPPTYXTRQ-QHCPKHFHSA-N 445.416 5.335 30 10 IKEE C#CCN(C[C@H](NCC)c1c(C)c(C)c(Br)c(C)c1C)C(=O)OC(C)(C)C 2372288796 TUTDLDJXYGGICA-SFHVURJKSA-N 437.422 5.204 30 10 IKEE O=C1C=CC2=C3Oc4c(ccc5cc(O)ccc45)[C@H](c4ccccc4C(=O)O)[C@@H]3C=CC2=C1 1229491 VNHHOVLAMIJEAS-UKILVPOCSA-N 434.447 5.273 30 10 IKEE COc1ccc(Br)cc1C(=O)Nc1ccc(/C=C/C(=O)c2ccccc2)cc1 10109790 FXGGQNBOROEAHF-UKTHLTGXSA-N 436.305 5.606 30 10 IKEE COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2F)c1 21251525 JYVASCSBDWQVMO-JWIGPWBQSA-N 444.506 5.822 30 10 IKEE CCOc1ccccc1[C@H]1C2=C(C[C@H](c3ccc(O)c(OC)c3)CC2=O)Nc2onc(C)c21 33321135 QUFAHBDDTDEJPC-UPCLLVRISA-N 446.503 5.054 30 10 IKEE CCCC[C@@H]1S/C(=N/N=C/c2ccccc2OC)N(Cc2cccc3ccccc23)C1=O 33438785 NMMJOEFPUHGEBF-QITWFEPBSA-N 445.588 5.873 30 10 IKEE N#Cc1c(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)oc(-c2ccccc2)c1-c1ccccc1 33809794 RAXFLYZGGHWNBB-JOCHJYFZSA-N 434.451 5.205 30 10 IKEE C=CCC[C@@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)CC1CC1 36316328 WHNIARBJICOFNS-XMMPIXPASA-N 445.607 5.766 30 10 IKEE C=CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cccc(OC)c2)cc1 39872421 AWYGOFCCHUGJPY-DEOSSOPVSA-N 439.467 5.116 30 10 IKEE C=CCn1c([C@@H](Cc2ccccc2)NC(=O)c2ccc(Cl)cc2)nc2ccc(OC)cc21 43255448 LCCICCODWWWBJD-HSZRJFAPSA-N 445.950 5.598 30 10 IKEE C=CCOc1ccc(C(=O)Nc2cccc(OCCCCCCC)c2)cc1Br 100246468 XYLQKCCUNFXPDW-UHFFFAOYSA-N 446.385 6.615 30 10 IKEE O=C1/C(=C/c2cccc(Br)c2)Oc2cc(OC/C=C\c3ccccc3)ccc21 102729746 ZAALHXJBDMNOMY-GLCSXTBNSA-N 433.301 6.158 30 10 IKEE O=C1/C(=C\c2ccccc2Cl)CN(Cc2ccccc2)C/C1=C\c1ccccc1Cl 108727969 MOWSEIJAODKLRS-OQRYGUKSSA-N 434.366 6.545 30 10 IKEE Cc1ccc(/N=C2\NC(=O)S\C2=C\c2ccc3noc(-c4ccccc4)c3c2)cc1C 110566979 MWKAETZQLHASSJ-HYARGMPZSA-N 425.513 6.639 30 10 IKEE CCCCCOc1ccc(/C=N\Nc2nc(-c3ccccc3OC)cs2)cc1OC 169943419 ZFMVXYPEIHJJTB-IWIPYMOSSA-N 425.554 5.842 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccco2)cc1Cl 170092187 NNRGEQMLOJAFHE-LJQANCHMSA-N 444.270 5.378 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@@H]1c1sccc1C 170106044 VXMPKSKMGQQITL-NRFANRHFSA-N 433.529 5.465 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1cccc(OC)c1 170120845 DPVUNGFEFZOHCY-QHCPKHFHSA-N 437.536 5.027 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccnc2)cc1C(C)C 170188070 SVFHVSVMKHEZAH-XMMPIXPASA-N 442.515 5.305 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2cccnc2)cc1C 170188620 SMNHFGHCYFJNHI-JOCHJYFZSA-N 448.906 5.225 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccnc2)cc1C(C)C 170189241 IQTFWBVPODPGGH-XMMPIXPASA-N 442.515 5.305 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccccc2)c1 170223876 AVQGVNJWAOUUAG-CJAUYULYSA-N 439.511 5.410 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@H]1c1ccc(F)cc1 170243221 NNXJFJHQNMLYIE-JOCHJYFZSA-N 425.500 5.336 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(C(C)C)cc1 170246257 GUAUWFCLNIPDEX-DEOSSOPVSA-N 433.548 5.648 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(CC)cc2)cc1C 170266705 XZHJMTUCHIEMCG-RUZDIDTESA-N 447.575 5.867 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)cc(Cl)c2OC)[C@@H]1c1ccccc1C 170276650 IFFKHEKETXTWFK-IBGZPJMESA-N 448.346 5.689 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccco2)cc1 170281129 RPOOTAWRKWWABA-GYCJOSAFSA-N 443.499 5.509 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccco2)cc1C 170285739 HPYRBBYYRLTGPY-XMMPIXPASA-N 445.515 5.777 30 10 IKEE COc1cc(Cl)cc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4)[C@H]3c3ccco3)oc12 170286430 YZLYSEMCIVTTMJ-FQEVSTJZSA-N 449.846 5.471 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@H]1c1ccc(C)o1 170309816 PRRRTFXCAXEADK-LJQANCHMSA-N 446.341 5.427 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1sccc1C 170316259 LDUIBELAAPDNNO-LJQANCHMSA-N 437.517 5.053 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1cccc(C(F)(F)F)c1 170399189 RRLUMNQQLWAMBH-OAQYLSRUSA-N 437.417 5.797 30 10 IKEE O=C(/C=C\c1cccc(C(F)(F)F)c1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 211986230 SDRUZCMGTUVUDP-PLNGDYQASA-N 427.266 6.395 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccc(C)cc2F)nnc1-c1ccc2ccccc2c1 253562321 DDECARWULPUPGD-UHFFFAOYSA-N 432.524 5.463 30 10 IKEE Cc1ccc(-c2nc(NN=Cc3c(F)c(F)c(F)c(F)c3F)c3ccccc3n2)cc1 254372573 QKECDFGEZVTCBJ-UHFFFAOYSA-N 428.364 5.747 30 10 IKEE Cc1ccc(C(C)C)c(OCCCOc2ccc(C=NNc3ccc([N+](=O)[O-])cc3)cc2)c1 254491484 TZJDMCVEKVXTLC-UHFFFAOYSA-N 447.535 6.321 30 10 IKEE COc1ccc(OC)c(C=Nc2sc3c(c2C(=O)Nc2ccccc2)CC[C@@H](C)C3)c1 254609283 ZUJNXOYFMXQPHZ-MRXNPFEDSA-N 434.561 5.893 30 10 IKEE Cc1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)c(B2OC(C)(C)C(C)(C)O2)c1 405014489 BHQHBOGTBRBWOQ-UHFFFAOYSA-N 443.352 5.126 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2sccc2C)c1 526515913 MXULMEXSCSOXCP-JOCHJYFZSA-N 430.529 5.774 30 10 IKEE C#CCCCCC[C@@H](NCCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 686709097 OUDBLUKEMSDNGL-LJQANCHMSA-N 437.422 6.421 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCc2c(F)cccc21 698448685 YGZFBCKPSBTUJK-NRFANRHFSA-N 431.305 5.695 30 10 IKEE C[C@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)CN1C(=O)OC(C)(C)C 698858342 LRAYANNREFWXEH-HJPURHCSSA-N 433.524 5.249 30 10 IKEE CC(CC(C)C)=NNc1nc(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n[nH]1 1083904731 XSWQPKDEVWIQOC-UHFFFAOYSA-N 448.902 5.042 30 10 IKEE CCOc1cc(C=NNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1 1084275428 VHFIVGNPZFQZQO-UHFFFAOYSA-N 425.872 5.672 30 10 IKEE CN(CN1C(=O)C(=Nc2cccc(Br)c2)c2ccccc21)C1CCCCC1 1084510776 ODVLZEMENKCHDZ-UHFFFAOYSA-N 426.358 5.139 30 10 IKEE CC(C)(CN)CN/C(=N/Cc1ccc(C(F)(F)F)cc1)Nc1ccc(F)c(Cl)c1 1088703104 CUNWTNHJLRVTEY-UHFFFAOYSA-N 430.877 5.041 30 10 IKEE CC(=NO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1088731680 DHOYQZMAFKZOOK-UHFFFAOYSA-N 427.107 5.211 30 10 IKEE CC(=C/c1ccccc1)/C=C1\SC(=Nc2cccc(C(=O)O)c2)N(C2CCCCC2)C1=O 1772737906 SJTJAXRHZHWPDL-ZBBVLZMWSA-N 446.572 6.268 30 10 IKEE Cc1ccc(C(=O)C[C@@H]2SC(=Nc3ccc(O)cc3)N(c3ccc(O)cc3)C2=O)cc1C 1772759836 ABQCZJJMDXUSNV-QHCPKHFHSA-N 446.528 5.124 30 10 IKEE CC(C)=CCC/C(C)=C/CCC(C)=CCC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O 1857777922 DKHGMERMDICWDU-FKCUWDKUSA-N 444.659 8.918 30 10 IKEE CC(C)CSc1ccccc1C(=O)Nc1c(C#N)cnn1-c1ccc2ccccc2n1 1859649499 QUXSDHIKCYULOQ-UHFFFAOYSA-N 427.533 5.293 30 10 IKEE N#Cc1cccc(C(=O)N2CCC(c3ccc(OC(=O)c4ccc(Cl)cc4)cc3)CC2)c1 1860706017 TZZKHLGRKOZHGS-UHFFFAOYSA-N 444.918 5.451 30 10 IKEE COc1ccccc1/C=C/C(=O)C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 1860725363 HXEJCECXLIRSEH-GXDHUFHOSA-N 428.513 5.501 30 10 IKEE N#Cc1cccc(NC(=O)c2cc(CCc3ccccc3)n(-c3ccc(Cl)cc3)n2)c1 1862326140 OEUOWAIRCVXQCC-UHFFFAOYSA-N 426.907 5.435 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@H]1c1cccc(OCCC)c1 1862398929 ZCBRBAPBFRIUGG-XMMPIXPASA-N 433.548 5.582 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2Cl)cc1C 1862403006 MMIPPTWBSRAYHN-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2ccccc2F)c1 1862412946 RBVKNEOFBDMOKA-JOCHJYFZSA-N 437.417 5.191 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)cc1 1862455896 FNOXIQLQMYVZPU-OSGPJOMKSA-N 443.465 5.569 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccc(F)cc2F)cc1 1862491286 PHIMUYZMKIZOEJ-DEOSSOPVSA-N 447.481 5.669 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2cc(Cl)cc(Cl)c2)cc1 1862539020 TWDDJBBABGHEGR-ZUOKHONESA-N 432.347 5.933 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCc2ccc(Cl)cc2)cc1 1862555572 XMLIXLQAUZFYKQ-HSZRJFAPSA-N 446.934 5.052 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(F)cc2)cc1 1862614433 ARRVLYJUKMOFGD-HSZRJFAPSA-N 444.506 5.297 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(F)cc1 1862616738 STJJLWJRLPEDSB-HSZRJFAPSA-N 437.555 6.282 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(C(C)C)cc1 1862617624 YHIZDKNLDJQJFO-HOYKHHGWSA-N 433.592 6.484 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc2c(c1)OCCO2 1862619998 IGXSFBPPIGSKGA-HSZRJFAPSA-N 449.547 5.134 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@@H]1c1ccccc1F)c1ccc2c(c1)OCO2 1862626134 VPSXIMKBMPFWKK-HSZRJFAPSA-N 449.478 5.023 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc2ccccc12 1862653120 PHYMOAYRLAWKGE-HHHXNRCGSA-N 449.550 6.617 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(F)c2)cc1 1862661005 BDPNRSDQXCXSJB-QHCPKHFHSA-N 430.479 5.123 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc(Cl)c1 1862675381 JIWQBHONQBLTPW-RFVSGWPVSA-N 427.903 5.636 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc(Cl)c1 1862675946 XFCLORVUROQSSG-IFMALSPDSA-N 443.946 6.416 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 1862748196 VSRHFUDWFWEFFF-JOCHJYFZSA-N 432.476 5.064 30 10 IKEE Cc1ccc(C2=C(Nc3ccc4ccccc4c3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862905216 BWLPQOQSHVALRC-UHFFFAOYSA-N 429.479 5.417 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccccc2F)C1=O 1862924349 JGSQOKONMGANHY-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE C[C@H](CC(=O)N[C@@H](C(=O)Nc1cccc(C#N)c1)c1ccccc1)c1ccc(Cl)cc1 1866715018 PETJQLQLOJQYGL-MZNJEOGPSA-N 431.923 5.201 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC[C@@H]2Cc2ccc(Br)cc2)nc(CC)n1 1869125679 QFHGAHRAVKLQSC-HXUWFJFHSA-N 441.417 5.191 30 10 IKEE CCCCCCOc1ccc(-n2nnc(C#N)c2NC(=O)c2ccc3ccccc3c2)cc1 1870147336 KARYEHGUMJZLCJ-UHFFFAOYSA-N 439.519 5.504 30 10 IKEE CCCCCCCCCCn1cc(OCC2CCCCC2)c(=O)cc1CN1CCCCC1 1870484685 DMQCHYNWFKDAAK-UHFFFAOYSA-N 444.704 6.934 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(O)cc2)c(CNc2ccc(C)cc2C)cc1=O 1870839681 XCZVWORYFWPFER-UHFFFAOYSA-N 448.607 6.180 30 10 IKEE COc1ccc([C@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2ccccc2)C4=O)cc1OC 1871353938 BQZBGZZULVZMGK-GWGZVGKXSA-N 443.499 5.233 30 10 IKEE Cc1ccc(OCC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871370015 MSWAOAPPZMXADV-UUYOSTAYSA-N 434.875 5.557 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(O[C@H](C)C(=O)Nc3ccc(C)cc3)cc(C)c2C1=O 1871405600 DCWFNFCKAADPOE-YNJLWJOVSA-N 443.499 5.334 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871406604 JBNVGBNIWXLUQD-GEWRUKCFSA-N 447.462 5.165 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccccc4C)ccc3C2=O)cc1 1871409616 SJKCDBPFVVSXOP-SDPDQUOZSA-N 427.500 5.580 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccccc1)C2=O 1871430973 OOVQXIWLOOKSTN-MIDMBNTASA-N 427.500 5.634 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(C(C)(C)C)cc2)cc2c1C(=O)/C(=C/c1cccs1)O2 1871445333 RMISPEWCVDXONK-HMAPJEAMSA-N 447.556 5.988 30 10 IKEE Cc1cc(Cl)ccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1cccs1)C2=O 1871454880 YGYRYSAAPXMHEP-JAIQZWGSSA-N 439.920 5.652 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(C)cc2)[nH]c(N(CCCC)CCCC)n1 1871476284 IZTLGRSTYLMWFR-UHFFFAOYSA-N 440.680 6.525 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 1871837390 LARPOVCVTGSJFM-DEOSSOPVSA-N 442.625 5.430 30 10 IKEE CC(C)c1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 1872760875 ZSXPPHFPOMYESK-NNALFKCQSA-N 426.585 6.702 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OCC(C)C)cc3)n2)cc1OC 1872761134 GXVOITVFAAQJFS-LJQANCHMSA-N 436.533 5.352 30 10 IKEE N#C[C@H](C(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872762862 YDYFQXAZANFQEZ-IEXSPKMKSA-N 444.299 5.915 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@@H](C#N)C(=O)c3cccc(Br)c3)n2)c1C 1872778862 WJFPXKBXPLCAIK-SFHVURJKSA-N 439.378 6.296 30 10 IKEE COc1ccc(OC)c(/C=C/C(=O)[C@@H](C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)c1 1872781657 XGGJNXPOVYSJGV-CPSHHHPTSA-N 448.544 5.342 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc4ccccc34)n2)c2ccccc12 1872788505 JQNYMEFDANDTKH-QHCPKHFHSA-N 434.520 6.615 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@H](C#N)C(=O)c2ccc(-n3cccc3)cc2)n1 1872789093 XYMYRHKCIRGIKR-LJQANCHMSA-N 433.920 5.753 30 10 IKEE CCOc1ccc(-c2nc(C3=C(N)N(c4cccc(Cl)c4C)CC3=O)sc2C)cc1 1873529426 DQJUSYOLNBFSFA-UHFFFAOYSA-N 439.968 5.196 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCC)nnc2[C@H](C)c2ccccc2)cc1OCC 1874397297 VQEUOVLQNSZAFH-UPMNJHNBSA-N 438.597 5.612 30 10 IKEE Clc1ccccc1/C=N/n1c(SCc2ccccc2Cl)nnc1-c1cccs1 1874423068 SRSLDYZGUKDHCN-FSJBWODESA-N 445.400 6.488 30 10 IKEE CCCOc1ccccc1/C=N/n1c(CC(C)(C)C)nnc1SCc1ccccc1C 1874436600 IVZIAFHRJJJPCR-YZSQISJMSA-N 436.625 6.138 30 10 IKEE FC(F)(F)c1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1cccc(Cl)c1 1874462062 KIMSWIKMUPDHIG-NUGSKGIGSA-N 431.270 5.778 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1/N=C/c1ccccc1C 1874475068 HTGAOYSBDNUWFF-MFKUBSTISA-N 435.597 5.159 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1/N=C/c1ccc(OCCC)cc1 1874476204 JGCVQMIEAPESSO-PCLIKHOPSA-N 426.561 5.723 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2C(C)(C)C)cc1OC 1874481094 MFIIIRBEWKZISN-MFKUBSTISA-N 438.597 5.466 30 10 IKEE CC(C)(C)c1nnc(SCCc2ccccc2)n1/N=C/c1c(Cl)cccc1Cl 1874484804 OZZFCIYDVQFLIK-ZVHZXABRSA-N 433.408 6.099 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C(C)(C)C)cc1 1874484954 WSVSDQAUBDOPGN-WPWMEQJKSA-N 428.605 6.466 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1c(F)cccc1Cl 1874485424 UKLXVFDPFCNWLS-BHGWPJFGSA-N 437.371 6.196 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C(C)(C)C)c1 1874485464 XACMJSAPMZKHNT-MFKUBSTISA-N 443.016 6.192 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C(C)(C)C)cc1 1874485830 ODALBEFERVIKDC-WYMPLXKRSA-N 433.408 6.365 30 10 IKEE Cc1ccc(CSc2nnc(CC(C)C)n2/N=C/c2ccc(Cl)cc2Cl)cc1 1874486415 QOOLQCSKAGKWBN-WYMPLXKRSA-N 433.408 6.266 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(OCC)c(OC)c1 1874510018 BSENOJGJWJWXRG-ZVHZXABRSA-N 444.988 5.466 30 10 IKEE Clc1ccc(COc2ccccc2/C=N/n2cnnc2SCCc2ccccc2)cc1 1874539318 YIWQVOKSUMPVAM-JVWAILMASA-N 448.979 5.728 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1cnnc1SCc1ccc(Cl)c(Cl)c1 1874540709 WWZKHKICQDWXAX-OPEKNORGSA-N 443.359 5.921 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OCC(=O)Nc1ccc(C)cc1C 1874597813 GGGAXGIVNTZBQJ-LFYBBSHMSA-N 433.479 5.365 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(Cl)c1OCc1ccccc1C 1874603253 MFBIABQQLTXYBD-SDNWHVSQSA-N 446.974 7.011 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(Cl)c(Cl)c3)cc2)o1 1874615607 HCNICJMQDIRKEX-VZUCSPMQSA-N 445.298 6.238 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1OC(=O)[C@@H]1CCCO1 1874693172 QUUQLCOPTRVBIY-RBZVCHSGSA-N 428.484 5.343 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)[C@H](C)c3ccccc3)c2)cc1F 1874706853 CEGBPYIRPCEENO-XLNAKTSKSA-N 434.463 5.448 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2cccc(OC(=O)CC3CCCCC3)c2)cc1Cl 1874716006 WTMLYAUNZWUZNS-ZHACJKMWSA-N 447.358 6.774 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(C)cc3)c2)c2ccccc12 1874718949 SOWHANFNRFVGPY-JQIJEIRASA-N 436.507 6.201 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(OC)c1OC(=O)C1CCCC1 1875096001 RMSDPGJMXSTGJA-DTQAZKPQSA-N 440.539 6.569 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(C)c(C)c3)c(OC)c2)cc1 1875115252 UEWGDJYECUUFBH-AWNIVKPZSA-N 446.499 5.201 30 10 IKEE O=C(COc1ccc(Cl)cc1)Oc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1 1875123472 NVJRDRFLACYQPS-AWNIVKPZSA-N 427.283 5.874 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2OC)cc1 1875125323 CPTJHSLVDMXZJO-WLRTZDKTSA-N 436.891 5.401 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)c1ccncc1 1875126529 MFGBKDMYGLZNFZ-FPYGCLRLSA-N 442.298 5.902 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(OCC)c3)cc2)cc1 1875137326 HEWFYLKOBFGULU-LICLKQGHSA-N 430.500 5.989 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1ccc(F)c(F)c1 1875142545 IEWYNBCQQCKOFW-YCRREMRBSA-N 426.390 5.536 30 10 IKEE O=C(Cc1cc(Cl)ccc1Cl)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1 1875157619 GHYPZSLZXYXPDT-KGVSQERTSA-N 429.274 6.177 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1OC(=O)Cc1ccccc1 1875159516 FQQKZYBZPCXRCV-MDWZMJQESA-N 449.434 5.177 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)ccc1OC(=O)C1CCCC1 1875166036 MYDVYJHYFDJDPJ-VQHVLOKHSA-N 449.330 6.002 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1OC(=O)C1CCC1 1875166392 ZCQNLHBEMCPOCR-MDZDMXLPSA-N 426.940 6.184 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 1875169760 RNRBFVBQRZEHOA-FMIVXFBMSA-N 431.444 5.336 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1ccc(F)c(F)c1F 1875179354 ZVQRRDONGIVHKO-BJMVGYQFSA-N 440.417 5.845 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)ccc1OC(=O)CC(C)C 1875181087 MXJOADSFRVTPFO-VQHVLOKHSA-N 430.928 5.903 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3c(C)cc(C)cc3C)cc2OC)c1 1875184785 PZHFLUAFSCGVKQ-PKNBQFBNSA-N 430.500 5.744 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3sccc3C)c(OC)c2)cc1Cl 1875186273 MTPXAYAUSKQSJV-QPJJXVBHSA-N 442.920 5.842 30 10 IKEE C=CCn1c(C(=O)N(CCCC)CCCCCC)cc2c(NCc3ccccc3)ncnc21 1875228078 YKEAMVUFTISZOL-UHFFFAOYSA-N 447.627 6.052 30 10 IKEE Cc1nn(C)c(Br)c1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1891067927 UJGRYYAOOFCJGO-CQSZACIVSA-N 439.741 5.151 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)Oc3cccc(C(F)(F)F)c3)cc21 1891395818 HRDCTZQSEXASGB-UHFFFAOYSA-N 434.414 5.254 30 10 IKEE C=C(CC)CSC(C)(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1892307458 MERQLSDVADBDGJ-JOCHJYFZSA-N 439.577 5.456 30 10 IKEE C=C(COCc1ccccc1)[C@@H](N)[C@@H](O)c1ccc(-c2ccc(Br)cc2)s1 1922066579 VDRFGXSNQYHTNN-YADHBBJMSA-N 444.394 5.311 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CC[C@H](NC(=O)OC(C)(C)C)c1ccccc1)NCC 1922105105 VNGIDZDLRBJKFZ-RPBOFIJWSA-N 438.612 5.784 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)C1(c2ccc(NC(=O)OC(C)(C)C)cc2)CC1 1922120620 UKTHDBRVGIFXAT-DEOSSOPVSA-N 436.596 5.816 30 10 IKEE C=C([C@H](NCCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C)[Si](C)(C)C 1922981498 CPKKEWOTWFPZRL-SFHVURJKSA-N 441.486 6.270 30 10 IKEE CC1(C)CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Br)c2)[C@H](CN)C1 1927161134 QKCAJWGMXAFLRD-BTYIYWSLSA-N 436.394 5.238 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)CCC1(C)C 1934786727 FWIAWCSNKIIKKK-VWLOTQADSA-N 443.588 5.496 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)CCCN(C)C(=O)OC(C)(C)C)cc1 2002712076 UKZTVTYSRUZJRG-DEOSSOPVSA-N 431.577 5.666 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@@H](C2CCC2)C1 2018428436 JOQAUZRCROFQEB-NTKDMRAZSA-N 435.609 5.341 30 10 IKEE CC[C@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)CN1C(=O)OC(C)(C)C 2040669699 CAQYENAIBXXQES-XDHUDOTRSA-N 447.551 5.639 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1cccc2c1N(C(=O)OC(C)(C)C)CC2 2045769712 JRWQROKOXOHGJT-DEOSSOPVSA-N 436.596 5.798 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@H]3C[C@H]2C[C@H]3NC(=O)OC(C)(C)C)c1 2046019746 QCDKBHLHDFTRFC-QNTHMWBDSA-N 441.572 5.322 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCCC)c2cc(Br)cs2)C1 2062982204 PDZDOAXHYIYJOC-INIZCTEOSA-N 429.424 5.412 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)[C@@H]1C(C)(C)C 2076161439 OBAMUDIZTUTSCN-UUOWRZLLSA-N 447.551 5.495 30 10 IKEE CCOC(=O)c1c(C(C)(C)C)nn(Cc2c(F)cccc2C(F)(F)F)c1C(F)(F)F 2079032506 FCFZJMULTLKZOU-UHFFFAOYSA-N 440.359 5.582 30 10 IKEE CCc1nn([C@@H](c2ccc(C(F)(F)F)cc2F)C2CC2)c(Br)c1C=NO 2079878819 TVDZOJSASYZSIU-OAHLLOKOSA-N 434.231 5.173 30 10 IKEE Cc1nn([C@@H](c2ccc(C3CCC3)cc2)C(C)(C)C)c(I)c1C#N 2079904432 NWAZREVKIHPBQF-SFHVURJKSA-N 433.337 5.571 30 10 IKEE CC(C)c1ccc([C@@H](C)n2nc(C3CCC3)c(C=NO)c2I)cc1 2079938957 IZXVMHMVKNXTCD-CYBMUJFWSA-N 437.325 5.296 30 10 IKEE CC(C)(C)c1nn([C@@H](c2ccc(C3CCC3)cc2)C2CCC2)c(Br)c1C#N 2079980471 DXLDOAUOHCPIMM-HXUWFJFHSA-N 426.402 6.472 30 10 IKEE Fc1c(-c2c(C(F)(F)F)nn(C3CCCC3)c2Br)cccc1C(F)(F)F 2080912537 QQLJHAUQILNIOH-UHFFFAOYSA-N 445.176 6.604 30 10 IKEE N#Cc1c(C2CC2)nn2c(Cl)cc(-c3ccc(C(F)(F)F)cc3Br)nc12 2081396773 VNENEHDDDQKIPW-UHFFFAOYSA-N 441.638 5.580 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(Cc3ccccc3)C3(CCCC3)C2)cc1 2100066345 GGZOCFOXVKTAJB-MUUNZHRXSA-N 445.607 6.218 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)c(C)c(Br)c1)NCCC 2126713172 XDNQRVWBICWAMG-MSOLQXFVSA-N 445.829 5.401 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCCC12CCNCC2 2144621739 MWEXTGAKYNEATC-OAQYLSRUSA-N 434.378 5.007 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](CNc2ccc(C#N)c(Br)c2F)CC1(C)C 2172461449 YAYLXNVCLOSCBJ-CYBMUJFWSA-N 440.357 5.297 30 10 IKEE N#Cc1c(F)cc(Br)cc1N[C@H]1CCN(Cc2ccccc2)C2(CCC2)C1 2173442717 DTLJXAPGUVAKHM-SFHVURJKSA-N 428.349 5.459 30 10 IKEE C=CCCCCCC[C@H](N)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237424671 XMRQZJRHNKCRED-PMACEKPBSA-N 439.438 5.739 30 10 IKEE C=CC[C@H](C)[C@H](NCCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237425642 VETKLCTZFRFUJC-VDGAXYAQSA-N 439.438 5.465 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CN(C(=O)OC(C)(C)C)C1CCCCC1)NCCC 2250626918 SCYKOZKTJQYAES-XMMPIXPASA-N 430.633 5.697 30 10 IKEE CC(C)(C)OC(=O)N1CCCC(Nc2ccc(C#N)c(Br)c2F)CCC1 2269156036 MRMDOFNSDLQVNE-UHFFFAOYSA-N 426.330 5.051 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(OC)c(Br)s1 2278282342 PSMFHBLKDRGDCM-BBRMVZONSA-N 447.439 5.419 30 10 IKEE C=CCCC1([C@H](N)c2cc(Br)cc(C(C)C)c2)CN(C(=O)OC(C)(C)C)C1 2281043380 XCKMLRIBIAHDSG-LJQANCHMSA-N 437.422 5.776 30 10 IKEE C=CC[C@@]1(COc2c(N)ccc(F)c2Br)CCCCN1C(=O)OC(C)(C)C 2287839144 DQTVHPDHMASKEB-FQEVSTJZSA-N 443.357 5.285 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)C(=O)CC#CC1CCCC1 2289847389 HSZVCSSUTCESNM-IBGZPJMESA-N 434.374 5.038 30 10 IKEE CN[C@H](C#Cc1cccc(Br)c1)CCC1(NC(=O)OC(C)(C)C)CCCC1 2296218903 JHHKNGXHRHCBSC-LJQANCHMSA-N 435.406 5.006 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(OC(=O)C(C)(C)C)c3C)C2=O)c2cc(OC)ccc21 2296872028 QTMITFRAHAIIGD-UHFFFAOYSA-N 433.504 5.546 30 10 IKEE COc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)cc1 2297745595 RMIMPNSDTLFUQX-NRFANRHFSA-N 437.854 5.114 30 10 IKEE Cc1cc(Br)ccc1N=C1NC(=O)C(=Cc2cccn2-c2ccccc2)S1 2313562330 NUCPJAZKIVQUHB-UHFFFAOYSA-N 438.350 5.440 30 10 IKEE CSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1N=Cc1sccc1C 2321392192 FTJYBLYKDVTRLS-UHFFFAOYSA-N 435.018 5.534 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCc4ccc(Cl)cc4)c3C)C2=O)cc1OC 2321766867 ZHTYWRZTSVULEO-UHFFFAOYSA-N 436.891 5.861 30 10 IKEE COc1cccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCc2ccccc2)C4)c1 2321936872 WEOHTCAXFBBDLV-UHFFFAOYSA-N 427.500 5.014 30 10 IKEE COC(=O)c1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(C2CCCCCC2)C4)cc1 2322079780 QQNHHWCXHIXZNL-UHFFFAOYSA-N 447.531 5.273 30 10 IKEE CCCCCCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1cccc(Cl)c1)C3=O 2322190672 ADNRCMPNYARBQR-UHFFFAOYSA-N 439.983 6.777 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc3c2CN(CCCCc2ccccc2)CO3)C1=O 2322249393 SCDGTRGQXRHABO-UHFFFAOYSA-N 441.527 5.486 30 10 IKEE CCc1ccc([C@H](C)N2COc3ccc4c(c3C2)OC(=Cc2ccccc2F)C4=O)cc1 2322259998 YWJFXCQZZSJJBW-KRWDZBQOSA-N 429.491 5.917 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccccc1OCC(=O)Nc1cc(C)cc(C)c1 2322845627 IWZALDBKKJSTFW-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE Cc1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(N(C)C)cc2)C3=O)cc1 2323063597 MVWJPDWPDQXBNH-UHFFFAOYSA-N 439.511 5.604 30 10 IKEE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2cccs2)C3=O)cc1OC 2323068382 DCYLTBJZYVEAIJ-UHFFFAOYSA-N 434.469 5.000 30 10 IKEE COC(=O)c1ccc(COc2cccc(C=CC(=O)c3cc(C)c(Cl)cc3OC)c2)o1 2323289232 QHAABRDRIAVRKG-UHFFFAOYSA-N 440.879 5.512 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC)c(OC)c2OC)cc1OCc1ccccc1 2323336027 YDWAFLUBWONYON-UHFFFAOYSA-N 434.488 5.196 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3C)c(Cl)c2)cc1 2323628435 HDPCTJKQLSYFBQ-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccccc1C 2323675150 KVXVNRKQJKNCEG-UHFFFAOYSA-N 433.460 5.396 30 10 IKEE CCCOC(=O)COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1Br 2323766249 QUNLEENNFLREJB-UHFFFAOYSA-N 437.717 5.331 30 10 IKEE CCCOc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2F)C3=O)cc1 2323827271 OSEDTIZOCYIHDT-UHFFFAOYSA-N 432.447 5.758 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(OC)c(OCc2ccccc2C)c(OC)c1 2323992362 UBTKYKLBRYLZCB-UHFFFAOYSA-N 432.516 5.804 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3c(CN4CCC[C@@H](C)C4)c(O)cc(C)c3C1=O)cn2C 2324066979 NYNSLFMSBLMLKB-MRXNPFEDSA-N 446.547 5.049 30 10 IKEE Cc1cccc(COc2ccc(C=CC(=O)c3cc(C(C)(C)C)ccc3C)cc2[N+](=O)[O-])c1 2324574776 KWPMYWDIPNWLGE-UHFFFAOYSA-N 443.543 6.984 30 10 IKEE N#C[C@@H](C(=O)C=Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(F)c(F)c2)cs1 2324688268 LTDRVMVISQZFCZ-ZDUSSCGKSA-N 435.282 6.285 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)c(C)c1 2324883254 YKVLEIBTNDFGNK-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE COc1ccc(C)cc1NC(=O)CCOc1ccc2c(c1)OC(=Cc1ccccc1)C2=O 2325471169 ZRFIPYHTUWKRAQ-UHFFFAOYSA-N 429.472 5.027 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)[C@@H](C)c3ccccc3)c2)cc1 2325734069 TUIGLDMUVBIFSU-IBGZPJMESA-N 430.500 5.699 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3ccc(OC)cc3)c2)cc1 2325739550 SPUHEVVHCRRXOX-UHFFFAOYSA-N 446.499 5.365 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccccc4)c3C)C2=O)cc1 2325740119 ARUXLRBMLPIBQM-UHFFFAOYSA-N 429.472 5.027 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cc(Cl)ccc3OC)c2)cc1F 2325748525 JXIWOCMFKZAXCP-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OC(=O)CCOc1ccccc1 2325759973 KSXJQROBOGRPSQ-UHFFFAOYSA-N 430.500 5.583 30 10 IKEE CCCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1N=Cc1cccs1 2325860231 VUESBMRSEVPKDO-UHFFFAOYSA-N 442.654 6.033 30 10 IKEE N#Cc1cccc(NC(=O)Oc2cccc3c(NC(=O)C=Cc4ccccc4)cccc23)c1 2327378608 QBAFQLICTYTAGC-UHFFFAOYSA-N 433.467 5.974 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc(Cl)cc1 2328056524 CGTMVNKGRJIOSR-UHFFFAOYSA-N 431.392 5.921 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1c(F)cccc1Cl 2328056585 NZBNFFQTGUFSAD-UHFFFAOYSA-N 449.382 6.060 30 10 IKEE C=C(C)CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1c(F)cccc1Cl 2328486037 QQXGNILIMJHKLL-UHFFFAOYSA-N 445.907 5.120 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccncc1 2328552494 FQKKOXZMENNDNE-UHFFFAOYSA-N 447.539 5.183 30 10 IKEE C=C(C)CSc1nnc(COc2c(C)cccc2C)n1N=Cc1ccc(C(C)(C)C)cc1 2328557160 BTHXAGZIKQHDTB-UHFFFAOYSA-N 448.636 6.322 30 10 IKEE C=CCSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1ccc(OCCC)cc1 2328568758 MXUALDNJGONZRK-UHFFFAOYSA-N 436.581 5.217 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2N=Cc2ccccc2)cc1 2329290414 WFEQCLVAVYZSOX-UHFFFAOYSA-N 448.979 5.705 30 10 IKEE Cc1ccccc1C=Nn1c(Cc2ccc(F)cc2)nnc1SCc1ccccc1F 2329840001 VXYZTOOQGGQZIJ-UHFFFAOYSA-N 434.515 5.630 30 10 IKEE Cc1ccc(C=Nn2c(Cc3ccc(C)cc3)nnc2SCc2cc(C)ccc2C)cc1 2329999647 DISNWKPLKSZTIK-UHFFFAOYSA-N 440.616 6.277 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccccc2)n1N=Cc1ccc(C(C)C)cc1 2330458773 CXAMBSGWVQRNLI-UHFFFAOYSA-N 440.616 6.475 30 10 IKEE CCc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2C)cc1 2330458919 POFNVEZBCMJAKD-UHFFFAOYSA-N 426.589 5.914 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc2ccccc2c1 2330653410 BCPBGRBKMPHEFM-UHFFFAOYSA-N 447.317 7.262 30 10 IKEE CSc1nnc(CC(C)(C)C)n1N=Cc1ccccc1OCc1ccccc1Cl 2330800071 MPSFYKXKXOUIOV-UHFFFAOYSA-N 428.989 5.703 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3Cl)c(Cl)c2)cc1 2330961320 YANZKNNFDQZPGS-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc(C=CC(=O)c2cccc(Br)c2)cc1 2330993905 BTHJQNJMTLCUCH-UHFFFAOYSA-N 439.280 5.632 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)CCOc2ccccc2)c(Cl)c1 2331061321 BIDJQSYZLZWUGQ-UHFFFAOYSA-N 436.891 5.619 30 10 IKEE O=C(Cc1cc(Cl)ccc1Cl)Oc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1 2331116376 UNBCFVGNAPDEGS-UHFFFAOYSA-N 445.729 6.691 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)c(F)c2)c([N+](=O)[O-])c1)c1cccc(Cl)c1 2331129113 NLOSXDGMIUUQTF-UHFFFAOYSA-N 443.789 5.642 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OC(=O)Cc1cc(C)ccc1C 2331174025 GLHFUGCRURMNTJ-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE Clc1ccccc1C=Nn1c(SCc2cccc3ccccc23)nnc1-c1ccco1 2331218703 VZMXYJFXGIIAHS-UHFFFAOYSA-N 444.947 6.519 30 10 IKEE Cc1ccccc1CSc1nnc(C(C)(C)C)n1N=Cc1ccc(Cl)cc1Cl 2331370200 LNPCQFWOZUPIBP-UHFFFAOYSA-N 433.408 6.365 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2cc(OC)ccc2OC)cc1Br 2331386903 AMTROGJLWRATOZ-UHFFFAOYSA-N 447.325 5.458 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(CC(C)C)n2N=Cc2cccc(Cl)c2)cc1 2331443348 DMEKKLMEDLROJQ-UHFFFAOYSA-N 441.988 5.051 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)cc(OC)c1OC(=O)C1CCCC1 2331471972 WKKCDYGINCNKLI-UHFFFAOYSA-N 430.500 5.849 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OC(=O)c1ccco1 2331578133 UURGCOUUJGLMBH-UHFFFAOYSA-N 448.515 6.234 30 10 IKEE CCCOc1ccc(C=Nn2c(COC)nnc2SCc2ccc(Cl)cc2)cc1 2331595775 OMVBCZAATNRQPT-UHFFFAOYSA-N 430.961 5.041 30 10 IKEE CCOc1c(C=Nn2c(SCc3ccccc3F)nnc2C(C)C)cccc1OC 2331699467 UUYOVVBINKNTDI-UHFFFAOYSA-N 428.533 5.122 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)[C@H](C)Oc3ccc(Cl)cc3)cc2)c(C)c1 2331764398 LWPRMIMHQQEUFB-FQEVSTJZSA-N 448.946 6.534 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccco3)c(Cl)c2)c(OC)c1OC 2331885643 HZOSACYCTKUVIC-UHFFFAOYSA-N 442.851 5.074 30 10 IKEE CC[C@H](C[C@@H](C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339596957 MTVOOFSDOVOIKR-IEBWSBKVSA-N 446.397 5.187 30 10 IKEE CC1(C)OB(C=Cc2ccc(NC[C@@]34CC[C@@H]3CN(Cc3ccccc3)C4)nc2)OC1(C)C 2365048587 MCDDVWCYQLZDDY-YIXXDRMTSA-N 445.416 5.050 30 10 IKEE C[C@H]1CN(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)[C@H](C)[C@H](C)N1Cc1ccccc1 2365103948 PACQSMIBNPYWKD-FDFHNCONSA-N 447.432 5.214 30 10 IKEE Cc1ccc(C2=NN(c3ccc(/C=N/c4ccc(C)cc4C)cc3)[C@H](c3ccccc3)C2)cc1 15772860 GRDBKGLYZHAZDA-XHELQMPHSA-N 443.594 7.718 30 10 IKEE C=CCN1C(=O)/C(=C/c2cccc3ccccc23)S/C1=N\c1ccc(C(=O)O)c(O)c1 16927335 XGGPAGIAQNRKRN-KPWFMKORSA-N 430.485 5.034 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)CCSc2n[nH]c(N/N=C/c3ccc(F)cc3)n2)cc1 20833207 WHQGMNWUNQCCKK-BGHCKBSUSA-N 440.548 5.024 30 10 IKEE COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccccc1Cl 20881649 IPQYAYJNVQCYNL-YHAMSUFESA-N 430.935 6.328 30 10 IKEE Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc3ccccc3c2)cc1 21219915 DJQQAKIYSPZZMV-NGQVCNFZSA-N 430.551 7.128 30 10 IKEE COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1c(F)cccc1Cl 21224415 GKUOYPLWIMATLF-QWXGXRTQSA-N 448.925 6.467 30 10 IKEE O=C1C[C@H](c2ccccc2Cl)CC2=C1[C@H](c1cccc(Cl)c1)Nc1ccccc1N2 21242617 DPTRDXSDSABZCV-CPJLOUKISA-N 435.354 6.973 30 10 IKEE CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccc(C#N)cc2)c1-c1ccc(C#N)cc1 25146575 NOYFZQXWMBTZPN-UHFFFAOYSA-N 448.526 5.941 30 10 IKEE CCOc1ccc(C(=O)C2=CN(c3cccc(Cl)c3)c3ccccc3S2(=O)=O)cc1 32984315 HKSHDTBYFPMVGW-UHFFFAOYSA-N 439.920 5.388 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(Br)c2)C3=O)cc1 33367690 ZFZPECINWGIAED-MTJSOVHGSA-N 435.273 5.593 30 10 IKEE CCc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN([C@@H](C)c2ccccc2)C4)cc1 41648075 XJDKMUFMYACTTF-QETRNLNESA-N 425.528 6.087 30 10 IKEE Cc1cc(C)cc(C(=O)/N=C(/NCc2ccncc2)Nc2cccc(C(F)(F)F)c2)c1 45940445 KPSDNQGREQSPEE-UHFFFAOYSA-N 426.442 5.115 30 10 IKEE CC(=O)C1=C(C)Nc2nc(SCc3ccccc3F)nn2[C@H]1c1ccc(C(C)C)cc1 54641589 OQYZFBXYJZZAOK-QFIPXVFZSA-N 436.556 5.711 30 10 IKEE COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)ccc1OCC#N 59676356 ZCGUZRHRIMGLIW-JVWAILMASA-N 445.544 5.541 30 10 IKEE CCCCOc1ccc(/C=N/Nc2nnc3c4ccccc4n(CCC)c3n2)cc1OCC 65002869 KGZJKEBZQRZTLH-YZSQISJMSA-N 446.555 5.413 30 10 IKEE CCCCCCCOc1cccc(NCC(=O)Nc2ccc(C)c(NC(=O)CC)c2)c1 100090516 LUKWKYYRGZEJRD-UHFFFAOYSA-N 425.573 5.743 30 10 IKEE CCCCCCCCCCCCCCCCNCc1ccc(OCc2ccccc2)cc1 100125234 LGQFZBBADZGBHV-UHFFFAOYSA-N 437.712 8.837 30 10 IKEE CCCCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N/c1cccc(O)c1 100176143 QOLWMZKVRGKFRI-ZCGWOIPMSA-N 425.579 5.557 30 10 IKEE O=C1/C(=C/c2ccccc2Cl)S/C(=N/c2ccncc2Cl)N1c1ccccc1 101127670 NLUDXGBSDCJRMY-AVIKPBSTSA-N 426.328 6.197 30 10 IKEE CCCCCCCCOc1ccc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)cc1 102437705 IKKFUOGNXFMIHN-PTGBLXJZSA-N 439.646 7.140 30 10 IKEE CCC[C@H]1S/C(=N/N=C/c2ccc(C)cc2C)N(Cc2cccc3ccccc23)C1=O 102659215 XFDTZFCNPVJKED-GJYMLHQRSA-N 429.589 6.091 30 10 IKEE C=C(C)[C@@H]1CC[C@]2(C)[C@@H](CC=C3[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@]32C)[C@@]1(C)CCC(=O)O 142579272 RPPYCVULPFKBOG-BHCQRIEESA-N 440.712 8.285 30 10 IKEE CCCCCCCCCCC[C@H](C[C@@H]1OC(=O)[C@@H]1CCCCCC)O[C@@H]1CCCCO1 142973488 DQBLJAKEKGPLCT-FXSWLTOZSA-N 438.693 7.721 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccc(C)c(C)c2)cc1 169924442 YJVIIDUWFDMCGC-NRFANRHFSA-N 448.544 5.168 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(F)c2)c1 169928948 GXBCCQDERLQCOK-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2cccc(OC)c2)cc1 169931674 WIEUHJVGEKGGQR-OAQYLSRUSA-N 448.544 5.114 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\NC(=S)NC2CCCCC2)cc1OC 169942162 ALYKIPFWCKASMR-PLRJNAJWSA-N 433.662 5.955 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccc(O)cc2)c(C)c1 169962938 BOYXLVCGYJJEOF-XMMPIXPASA-N 427.500 5.409 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1cccs1)c1ccc(Cl)cc1 169985436 ITRWWVMYVGHEJB-SFHVURJKSA-N 430.312 5.838 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1cccs1)c1ccc2c(c1)CCO2 169985549 UWSBNIOMTXSDND-HXUWFJFHSA-N 437.904 5.119 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]2c2ccccn2)cc1C 169996574 FXZOGRWCVJYAOU-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2ccccc2)cc1 170052391 DXIXMFGFESTDHV-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(Cl)cc1)c1cccc(Cl)c1 170056728 HEMGBWAIXJUGSQ-IBGZPJMESA-N 444.339 5.833 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccccc2OC)=C(N(CC)Cc2ccccc2)C1=O 170060085 XXSYAVJXEZJBKJ-UHFFFAOYSA-N 448.607 5.658 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccccc2F)cc1 170069570 NFLLNRUEDZYPFL-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccc(C)c2)cc1C 170141039 HXKIYUXIHUHYJT-RUZDIDTESA-N 441.527 5.793 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCCOC(C)C)c1 170148143 UXJPALUSFOSMSI-RUZDIDTESA-N 447.575 5.267 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2cccs2)cc1C 170155574 JSKAVMVVQHCVFP-OAQYLSRUSA-N 437.492 5.296 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1cccs1 170155882 KKGJIGHBPVRIAP-QFIPXVFZSA-N 449.547 6.276 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2cccs2)c1C 170158708 NFQWBIGVPLRRKN-HSZRJFAPSA-N 447.556 5.935 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccs2)c1 170159084 HNIOQHKVPCSYKQ-FQEVSTJZSA-N 439.920 5.583 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccs1 170161521 HZQRGQVKVZGKDE-LJQANCHMSA-N 444.339 6.146 30 10 IKEE Cc1ccc(-c2csc(C3=C(N)N(c4ccc(C(F)(F)F)cc4)CC3=O)n2)cc1C 170180390 ATRDTMYMUSYOJB-UHFFFAOYSA-N 429.467 5.162 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(OCC)cc1 170213622 FZPJLAWUFPZHJY-XMMPIXPASA-N 433.548 5.343 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1cccc(O)c1 170259910 OGYAZMGRTBPYRL-DEOSSOPVSA-N 443.499 5.271 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2C)c1 170278310 LKQDDWZPTISGNB-QFIPXVFZSA-N 439.939 5.568 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc(OCC(C)C)c3)=C(O)C(=O)N2c2ccccc2)o1 170302698 GEIXRASCYDTLNO-HSZRJFAPSA-N 431.488 5.406 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cc4cc(Cl)ccc4o3)=C(O)C(=O)N2c2ccccc2C)o1 170305656 HVJZSFMIMFVASB-QFIPXVFZSA-N 447.874 6.079 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1sccc1C 170314106 YJAWEBFZBBGZDB-LJQANCHMSA-N 441.455 5.126 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cccc(OCC)c2)cc1 170359545 WSYXUZGFFTZOQT-QFIPXVFZSA-N 449.528 5.328 30 10 IKEE CSc1nc(Nc2ccccc2Br)c(C#N)c(-c2cccc(Cl)c2)n1 244018072 SOVMYLHRRRNRQU-UHFFFAOYSA-N 431.746 5.897 30 10 IKEE Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]5CCC[C@@]5(C)CC[C@H]43)C2)cc1 253597584 DJKUHJBPRWSFHW-XGYCZRJISA-N 430.654 6.502 30 10 IKEE CN1/C(=C2/SC(=Nc3ccccc3)N(c3ccc(F)cc3)C2=O)Sc2ccccc21 254761679 WBJIULCREAZTCY-XJIBWINFSA-N 433.533 6.004 30 10 IKEE C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@@H]1CCc1ccoc1CN1CCCC[C@@H]1C 504006752 KXDYHZVEOJTNPL-GSVGDMMISA-N 441.656 6.539 30 10 IKEE biogenic CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(C)cc2)cc1OC 526487103 VAPKCMBLLWRWNC-VWLOTQADSA-N 440.499 5.331 30 10 IKEE Cc1cccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(Sc3ccccc3)C2=O)c1C 526657441 NKWSHWJVRWPBOX-UHFFFAOYSA-N 425.513 5.164 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1c(Cl)cccc1Cl 526809584 OPQKLUORJAAUHK-MSXFZWOLSA-N 433.408 6.329 30 10 IKEE C=CCN(c1ccc(N2CCC(C)CC2)cc1)S(=O)(=O)c1ccc(Br)cc1 586206015 FOGUIMIRPQYZLI-UHFFFAOYSA-N 449.414 5.067 30 10 IKEE COc1cc(C)c(C)cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)c1cc(C)cc(C)c1 586214903 PTQWWVARDMABDM-UHFFFAOYSA-N 434.561 5.196 30 10 IKEE C[C@@H]1C[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C 698373070 DDAJKCSFVYDHRT-HOYKHHGWSA-N 429.561 5.105 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1ccsc1Cl 698392482 QPTLKHXQXRULCI-AWEZNQCLSA-N 427.751 6.170 30 10 IKEE C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@@]43C)[C@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)C2=O 1076011126 CMCWTYNIVZMUIH-AXDQOVJNSA-N 430.554 7.701 30 10 IKEE Cc1ccc(CSc2nc3ccc(N=Cc4cc([N+](=O)[O-])ccc4O)cc3s2)c(C)c1 1084545957 UOLRHMCQJQGSMV-UHFFFAOYSA-N 449.557 6.570 30 10 IKEE CC1(C)Cc2ccc([C@H](C#N)OC(=O)[C@@H]3[C@H](/C=C(/Cl)C(F)(F)F)C3(C)C)cc2O1 1615199311 FWQQOTTYQXSXDD-GVIJNPCUSA-N 427.850 5.465 30 10 IKEE CCCCCCCCCOc1cccnc1NC(=O)/C=C/c1ccc(OCC)c(OC)c1 1858750030 ICNVGPORDYVILH-BMRADRMJSA-N 440.584 6.270 30 10 IKEE C=CCN(CC=C)C(=O)Oc1cccc2c(NC(=O)c3ccc4cc[nH]c4c3)cccc12 1858952566 ODHJNYFVBXCDSR-UHFFFAOYSA-N 425.488 5.746 30 10 IKEE N#Cc1cccc(C(=O)Nc2cc(NC(=O)C34CC5CC(CC(C5)C3)C4)ccc2Cl)c1 1860456282 IVRIKCDHDKKZPS-UHFFFAOYSA-N 433.939 5.619 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 1862392778 GGWQFHYIFREKNP-OPAMFIHVSA-N 436.508 5.314 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccccc2F)cc1C 1862401903 MKLZSTCGWRBBAG-QHCPKHFHSA-N 449.453 5.060 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862432179 YDDUWXUYPWQNNB-WAIKUNEKSA-N 447.918 5.688 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(F)cc1 1862490225 QICVRRREFROBQS-ZJSXRUAMSA-N 437.555 6.380 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc(Cl)c2)ccc1F 1862502912 LKFXQRPAOURCQK-NRFANRHFSA-N 427.903 5.699 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(F)cc2F)ccc1F 1862503149 RGFNIXMZPPTDOL-HXUWFJFHSA-N 443.446 5.252 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCC2=CCCCC2)c1 1862507388 KFBKAEKSWQWSKD-DEOSSOPVSA-N 433.523 5.911 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862555469 FHTMGSRWVPDPDE-MZNJEOGPSA-N 426.516 5.171 30 10 IKEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccc1 1862649358 WMDWNFZWLAMFMX-RUZDIDTESA-N 442.559 5.150 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccccc1 1862659892 FOGAGLVFFXJOTF-RUZDIDTESA-N 441.527 5.597 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccc(OC)cc2)cc1 1862672885 HMTLEASBRNWNPQ-DEOSSOPVSA-N 445.490 5.175 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccc(F)cc2F)cc1 1862690723 CLFNZCKFXUEYCF-IQMFZBJNSA-N 449.453 5.313 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2C2CCCCC2)cc1 1862707456 WGIFFMDUPVBZAK-DEOSSOPVSA-N 449.547 5.395 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862717933 PCMSEHSNUNBGEI-QRQCRPRQSA-N 430.460 5.125 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1ccccc1Cl)c1ccc(-c2ccccc2)cc1 1862725555 LQDACSZTMCJLPN-QHCPKHFHSA-N 429.903 5.748 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(F)cc2F)C1=O 1863315846 VGWJKLYJHQKNAZ-LJQANCHMSA-N 437.490 5.387 30 10 IKEE N#Cc1ccc(NC2=C(c3cc(Cl)ccc3Cl)C(=O)N(C3CCCCC3)C2=O)cc1 1863388385 LVLZFQZVXPQAGN-UHFFFAOYSA-N 440.330 5.390 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](CCCC)NC(=O)C[C@@H](c1ccc(C(C)C)cc1)C(C)C 1868704545 KALWLROHRCOAOP-RPBOFIJWSA-N 426.645 5.815 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3ccc(C(C)C)cc3[C@@H]2c2ccccc2)nc(C)n1 1869290813 BSFTZMTWKGGIDT-LJAQVGFWSA-N 438.619 6.239 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc4c3CN(CCc3ccccc3)CO4)C2=O)cc1 1871344558 MECNZOJSGHILDG-XYGWBWBKSA-N 427.500 5.096 30 10 IKEE C=CCOc1cccc(C(=O)Nc2ccc3c(=O)cc(-c4ccc(OCC)cc4)oc3c2)c1 1871358199 HKUGQMLVWIVPTF-UHFFFAOYSA-N 441.483 5.676 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)cc(C)c3C2=O)cc1 1871374046 NMFMMWITQSHUAS-UUYOSTAYSA-N 429.428 5.301 30 10 IKEE Cc1c(OC(=O)c2cccc(Oc3ccccc3)c2)ccc2c1O/C(=C\c1ccco1)C2=O 1871379578 UZRYBFYZWVEMPQ-JLPGSUDCSA-N 438.435 6.216 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc(O)c2CN2CCC(Cc3ccccc3)CC2)C1=O 1871395218 LHFAAFXKZUWIIV-JLPGSUDCSA-N 445.584 5.833 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2sccc2C)C3=O)c1 1871410971 FRHQCADTOYKSNP-RIWZNOJBSA-N 433.529 5.696 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@@H](C)CC)S(=O)(=O)CC 1871858774 ZHSOXFQNSQOKGA-WMZHIEFXSA-N 444.597 5.060 30 10 IKEE N#C[C@@H](C(=O)c1c(Cl)ccc(Cl)c1Cl)c1nc(-c2cccc(Cl)c2)cs1 1872766881 PZUUNZIDIVNSPF-NSHDSACASA-N 442.154 6.914 30 10 IKEE COc1ccccc1-c1csc([C@H](C#N)C(=O)c2c(Cl)ccc(Cl)c2OC)n1 1872767626 WSVMAWBSKFZLJQ-GFCCVEGCSA-N 433.316 5.624 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccc(Cl)cc3)n2)cc1 1872770189 MSVROXBLFYBVCC-MGPUTAFESA-N 440.952 5.896 30 10 IKEE Cc1cc(C)c(C2=C(Nc3cccc(C#N)c3)C(=O)N(CCC3=CCCCC3)C2=O)c(C)c1 1873328543 JYSSQBISOWQFKC-UHFFFAOYSA-N 439.559 5.566 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(C)cc1C)n2C 1873628950 CBGXQMMULIRPSB-UHFFFAOYSA-N 435.616 6.390 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc2c(c1)C(=O)N(C1CCCCCC1)C2=O 1873935173 JMXAAUDVPWNHOZ-UHFFFAOYSA-N 426.601 5.876 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccc(Cl)cc3)n2/N=C/c2ccccn2)c1 1874263781 QCXDYNGSWAJDTJ-VULFUBBASA-N 449.967 5.388 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2/N=C/c2ccc(C(C)(C)C)cc2)CC1 1874287514 JCRWRDQCNNCKKB-ZXVVBBHZSA-N 440.701 7.424 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2ccccn2)cc1 1874301561 FPNWMVBSLBQSJN-WPWMEQJKSA-N 443.576 5.146 30 10 IKEE COc1ccccc1CCc1nnc(SCc2cccc(C)c2)n1/N=C/c1ccccc1 1874312934 UOCNOBSEKYKZRK-OVVQPSECSA-N 442.588 5.555 30 10 IKEE Cc1ccccc1CSc1nnc(CCCOc2ccccc2)n1/N=C/c1ccccn1 1874316308 NBKAEPJLQTWFNN-OVVQPSECSA-N 443.576 5.168 30 10 IKEE Cc1ccc(CSc2nnc(COCc3ccccc3)n2/N=C/c2cccc(O)c2)cc1 1874352263 AHIWAYFWMNQHKY-CVKSISIWSA-N 444.560 5.183 30 10 IKEE Cc1ccccc1CCc1nnc(SCCc2ccccc2)n1/N=C/c1ccccc1O 1874362480 HODHTQGJQORBEE-ZXVVBBHZSA-N 442.588 5.294 30 10 IKEE COc1ccc(/C=N/n2c(CCc3ccccc3C)nnc2SCc2ccccc2)cc1 1874362703 SAWQTTXAYBFQAT-OVVQPSECSA-N 442.588 5.555 30 10 IKEE CCCSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874390054 SAZMEZGWNOHJAK-LPYMAVHISA-N 429.933 5.123 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2cccc(C)c2)nnc1[C@@H](C)c1ccccc1 1874394282 IOVBVZLFLJEERJ-KKMLCIJBSA-N 442.588 5.921 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2F)n1/N=C/c1ccccc1O 1874395484 NQORAQUMKXYMKW-AEIQVQRHSA-N 432.524 5.449 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@H](C)c3ccccc3)n2/N=C/c2sccc2C)c1 1874398791 FCTAIXKDURFSFP-XYCMHOAJSA-N 446.645 6.591 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2[C@H](C)c2ccccc2)c1 1874400972 DZSGJSULLDSRFZ-BWJYWGHISA-N 447.007 6.566 30 10 IKEE COc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCc2ccccc2C)cc1 1874410645 FDVAEFSZLKOFBY-BUVRLJJBSA-N 434.590 5.422 30 10 IKEE Cc1ccc(CSc2nnc(CC(C)(C)C)n2/N=C/c2cc(Cl)ccc2O)cc1 1874435380 CNMFYMMJHMSQLA-ZMOGYAJESA-N 428.989 5.709 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2-c2ccco2)c(F)c1 1874467151 UEYFYJSTFOLACS-BHGWPJFGSA-N 430.867 5.644 30 10 IKEE Cc1cccc(CSc2nnc(C(C)C)n2/N=C/c2cc(Br)ccc2O)c1 1874512407 WELJMFBNMFRWJL-SSDVNMTOSA-N 445.386 5.353 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Br)ccc1OCc1ccc(C)cc1 1874576979 PPZJAUGPATZBFI-ACCUITESSA-N 437.333 6.241 30 10 IKEE Cc1ccc(COc2ccc(Br)cc2/C=C/C(=O)c2ccc(F)cc2F)cc1 1874577171 ZNGHUFTXLFVLLC-UXBLZVDNSA-N 443.287 6.511 30 10 IKEE CCCN(CCC)C(=O)COc1c(/C=C/C(=O)c2ccc(OCC)cc2)cccc1OC 1874578004 QLIHDXIXGMKREW-DTQAZKPQSA-N 439.552 5.017 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OCC(=O)Nc1cc(C)cc(C)c1 1874608591 WNXKVIBKDLTSFQ-CSKARUKUSA-N 449.934 5.879 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Cl)c1OCc1ccc(F)cc1 1874612125 DEDOLRPQTOWPMR-JXMROGBWSA-N 431.290 6.616 30 10 IKEE Cc1ccc(COc2ccc(/C=C/C(=O)c3ccc(Cl)c(Cl)c3)cc2[N+](=O)[O-])cc1 1874615980 VOBJHWLYFJOLEE-UXBLZVDNSA-N 442.298 6.685 30 10 IKEE C=CCOc1c(Br)cc(/C=C/C(=O)c2ccc(C)cc2)cc1Br 1874616198 NJCJBQBGUGIZGM-RMKNXTFCSA-N 436.143 5.981 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1OCc1ccccc1 1874629285 VQGBFLIOMODJEO-OUKQBFOZSA-N 448.990 7.447 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc(Cl)c1OCc1ccccc1 1874635450 PDJNZYWSNNTRFP-WYMLVPIESA-N 448.990 7.430 30 10 IKEE Cc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(Cl)c(Cl)c3)c2)cc1 1874702804 KGGWSVWNPCWGHT-FMIVXFBMSA-N 425.311 6.346 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3cccc(OC)c3)c2)cc1 1874703380 MYFKSSKLHXPSLG-XNTDXEJSSA-N 446.499 5.365 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OC(=O)C(C)C 1874716530 WRCWWZOCEBOKBW-BQYQJAHWSA-N 445.353 5.840 30 10 IKEE CCc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c4ccccc34)c2)cc1 1874718561 PLPJBHHYWFSACG-GHRIWEEISA-N 436.507 6.526 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc(OC)cc(OC)c3)c(OC)c2)cc1 1875101096 JDPJZJYTJRTSGU-XYOKQWHBSA-N 446.499 5.390 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1 1875134524 WKZKYSZSRZPXIC-LHHJGKSTSA-N 441.310 6.507 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)C(F)(F)F 1875134640 CPXHLDSYEJVRKW-SOFGYWHQSA-N 426.818 5.719 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H]3C[C@H]3c3ccccc3Cl)cc2)cc1 1875156099 KECAWSIHEJTKHR-PYTNZQABSA-N 444.958 7.069 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)c1cccc(C)c1 1875156327 UQVDPCBFVGMYHF-MDWZMJQESA-N 448.946 6.896 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)c1c(F)cccc1Cl 1875159260 KHVSGQFOSJDENR-VZUCSPMQSA-N 428.818 5.742 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2OC)cc1 1875159536 SVZHWEIMUBQFJI-LHHJGKSTSA-N 434.463 5.277 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C)cc(C)c3OC)cc2)cc1OC 1875169324 HBBQLARAKUWGLN-XYOKQWHBSA-N 446.499 5.445 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc(OC)c1OC(=O)C(C)(C)C 1875171171 JUWKGXLWEFKTOV-VAWYXSNFSA-N 436.548 5.897 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)c1cccs1 1875174837 LHXYVDXYJCMQBT-CSKARUKUSA-N 440.948 6.532 30 10 IKEE C=CC[C@H](C)SC(C)(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1892320716 KSODNRGGQYQYHR-AOMKIAJQSA-N 439.577 5.455 30 10 IKEE C#C[C@@H](NC(=O)[C@@H](CC)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCC1 1901481159 AHEGDKYVMADWCY-CLJLJLNGSA-N 444.575 5.002 30 10 IKEE C=C(COCc1ccccc1)[C@H](NC)[C@@H]1CC[C@H]2CCCC[C@H]2N1C(=O)OC(C)(C)C 1922072876 YPTMPUGXHZFTJN-LWSSLDFYSA-N 428.617 5.306 30 10 IKEE CCCCCCCCC[C@@H](NCC)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1946541501 QVTYWNZEPADIDB-RPWUZVMVSA-N 434.665 6.215 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 1949350452 IPKIRGHDMWKEOI-GOTSBHOMSA-N 430.633 5.553 30 10 IKEE N#Cc1csc([C@H](CCC(=O)O)CNC(=O)OCC2c3ccccc3-c3ccccc32)c1 1951738527 JSQUHNFVAYNIGK-QGZVFWFLSA-N 446.528 5.107 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@H](C#N)[C@]1(C)CCCN1C(=O)OC(C)(C)C 1991923362 NPHCNZXGWOIDBS-JTSKRJEESA-N 435.590 5.167 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)C12CCCCC2 2017321036 NNYDDZPHRNBPQU-XMMPIXPASA-N 433.593 5.382 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@@H](NC(=O)OC(C)(C)C)C(C)C 2028028074 RDUFOVXZLARSKG-YADARESESA-N 447.576 5.268 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C1(C)C 2068177346 DNKFGDVYQTVIHM-XMMPIXPASA-N 447.551 5.639 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)cc1 2076316172 FETVEWRKVIYMJX-UQBPGWFLSA-N 443.588 5.666 30 10 IKEE Cc1ccc([C@@H](n2nc(C(C)C)c(C#N)c2I)C(C)(C)C)cc1C 2079089324 CBGOSESEPWFQQD-GOSISDBHSA-N 435.353 5.735 30 10 IKEE CCCc1ccc([C@H](n2nc(C(F)(F)F)c(C#N)c2Br)C(C)(C)C)cc1 2079895195 PTMGFHVRHFGUHI-INIZCTEOSA-N 428.296 6.124 30 10 IKEE CC(C)(C)[C@@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)(F)F)c(C(N)=O)c1Cl 2079978151 WNNFIGNBQGVFFN-GFCCVEGCSA-N 445.766 5.448 30 10 IKEE C=CCCCCCCCCC[C@H](N)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2086280562 IROUNJLCZNKOCX-HVCNVCAESA-N 446.676 6.509 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C#N)(Cc1ccc(Cl)cc1Br)C2 2088514680 NFKUPFMJKVCIRE-HOTGVXAUSA-N 439.781 5.717 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(Cc3ccccc3)CC23CCC3)c1 2098711876 KTTSFOFVDYXCAG-MUUNZHRXSA-N 445.607 6.075 30 10 IKEE C=CCC1(C(=O)Cc2cc(Cl)c(C)c(Br)c2)CN(C(=O)OC(C)(C)C)C1 2111274077 ZQDDDJOJVCVNKQ-UHFFFAOYSA-N 442.781 5.336 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cccc(Br)c1Cl 2136572271 ZRAOIVGESFGTQY-SJLPKXTDSA-N 443.813 5.450 30 10 IKEE CC(C)C[C@H]1CNCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2149841925 JDDIHJMXMIGCQF-KKSFZXQISA-N 436.394 5.109 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](CNc2ccc(C#N)cc2Br)CC12CCC2 2176863214 PNMZENZGJBUMHY-MRXNPFEDSA-N 434.378 5.302 30 10 IKEE C#CC[C@H](C[C@@H](NCC)c1cc(Br)ccc1I)C1CC1 2196855584 DEMMYAANRPFDSK-CXAGYDPISA-N 446.170 5.144 30 10 IKEE CN[C@H](C#Cc1ccccc1Br)c1cc(NC(=O)OC(C)(C)C)ccc1F 2235733721 VGWZFLJCNPKGJM-LJQANCHMSA-N 433.321 5.247 30 10 IKEE CCCCCCCC[C@](C)(CO)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2240555936 LJQMCZURXGJATE-JOCHJYFZSA-N 442.438 6.692 30 10 IKEE Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=CC(=O)Nc2ccc(C3(C#N)CCCC3)cc2)o1 2313961432 BZTQRQMNVGBSEK-UHFFFAOYSA-N 441.487 6.151 30 10 IKEE CC(C)[C@H]1C[C@](C#N)(Nc2cccc(Br)c2)CN1C(=O)OCc1ccccc1 2321365168 MRTBSUNEFBWYDE-IFMALSPDSA-N 442.357 5.190 30 10 IKEE CCn1cc(C=C2Oc3cc(OCC(=O)OC(C)(C)C)cc(C)c3C2=O)c2ccccc21 2321734348 HOFDKJOMSLSBKK-UHFFFAOYSA-N 433.504 5.306 30 10 IKEE COc1ccc(C=C2Oc3cc(OCc4ccc(Cl)c(Cl)c4)cc(C)c3C2=O)cc1 2321787414 WLNMTJCRUSXNOI-UHFFFAOYSA-N 441.310 6.506 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=CC=Cc1ccccc1)O3)CN(CCc1cccs1)CO2 2322197113 UKSOSLGNMMWJAA-UHFFFAOYSA-N 429.541 5.624 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1c(OCCCO)ccc2ccccc12 2322828383 WVAJCZFUDFQOIE-UHFFFAOYSA-N 431.315 5.813 30 10 IKEE Cc1cc(OC(=O)c2ccncc2)cc2c1C(=O)C(=Cc1ccc(-c3ccccc3)cc1)O2 2322828450 BMJSWNPKGLLSFG-UHFFFAOYSA-N 433.463 5.892 30 10 IKEE Cc1cc(OC(=O)c2cccc(Cl)c2)cc2c1C(=O)C(=Cc1cccc(Cl)c1)O2 2322907731 ISAGKPBSRFZECK-UHFFFAOYSA-N 425.267 6.137 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccccc1OCC(=O)Nc1c(C)cccc1C 2323022182 KWFJPHRZCCARRE-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)NC3CCCCC3)c2)cc1 2323076125 SUGGIXPIZCSIBA-UHFFFAOYSA-N 449.591 5.762 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O)C(Cl)=Cc1ccccc1 2323438252 KAPTZSVMGAYWFB-UHFFFAOYSA-N 428.871 6.044 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCC(=O)N(CC)CC)c(OCC)c2)cc1 2323557079 XUZXPCLEHIXNTP-UHFFFAOYSA-N 437.580 5.571 30 10 IKEE C=CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2Cl)C3=O)c1 2323854706 RCEHHFGZXOUMSJ-UHFFFAOYSA-N 446.886 6.049 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(F)c(C)c3)cc2Cl)cc1 2323970517 LQDDSWNMZYLBCO-UHFFFAOYSA-N 437.898 6.010 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OCc1cccc(Cl)c1 2324257561 QBKUEHIGHYIJGZ-UHFFFAOYSA-N 428.862 6.492 30 10 IKEE Cc1ccccc1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O 2324407336 SVIVWBSNUCITAB-KRWDZBQOSA-N 447.918 5.979 30 10 IKEE C[C@@H](Oc1ccc2c(c1)OC(=Cc1ccco1)C2=O)C(=O)Nc1cc(Cl)cc(Cl)c1 2324422587 ZPVWMTFYVMXDBU-GFCCVEGCSA-N 444.270 5.609 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCCc3ccccc3)c(Cl)c2)cc1Cl 2324610029 AFUBDRHKXURPJW-UHFFFAOYSA-N 427.327 6.520 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2OC)ccc1OCc1ccccc1C 2324706394 CPTRXHBRALEZQV-UHFFFAOYSA-N 436.935 6.531 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc([N+](=O)[O-])cc3)n2)c1C 2324722209 GEYJFXNINZSNFU-FQEVSTJZSA-N 431.517 5.842 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1ccc2c(c1C)OC(=Cc1ccc(C)cc1)C2=O 2325093228 SKCOKHFGAZCCOG-JOCHJYFZSA-N 436.548 6.201 30 10 IKEE COc1ccc(C)cc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1cccc(F)c1)C2=O 2325118897 BORCVERCMIYKCC-UHFFFAOYSA-N 447.462 5.085 30 10 IKEE COc1cccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccccc2F)c1 2325448628 LOVZAIMPBKNWQX-UHFFFAOYSA-N 446.551 5.386 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4c(C)cccc4C)c3C)C2=O)cc1 2325502705 MWWZHNJPSQPJSB-UHFFFAOYSA-N 427.500 5.554 30 10 IKEE Cc1c(OCC(=O)NCc2ccco2)ccc2c1OC(=Cc1ccc(C(C)C)cc1)C2=O 2325565333 ZIHDHHZOSZBIIZ-UHFFFAOYSA-N 431.488 5.023 30 10 IKEE COc1cccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccc(Cl)cc2)C3=O)c1 2325576407 OXYAQUIEBCBARU-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE Cc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2325614006 MTVMMZHLJINWJW-UHFFFAOYSA-N 446.507 5.119 30 10 IKEE CCCCCOc1ccc(C=Nn2c(C)nnc2SCc2cccc(C)c2)cc1OC 2325616573 YHKVUWDIUHCOKY-UHFFFAOYSA-N 438.597 5.647 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1OC(=O)Cc1ccc(F)cc1 2325745766 FGJLTKXUIAQTKM-UHFFFAOYSA-N 446.518 6.176 30 10 IKEE Cc1ccc(C(=O)Oc2cccc(C=CC(=O)c3cccc4ccccc34)c2)cc1[N+](=O)[O-] 2325750200 ZPRWGDDYGBPTPT-UHFFFAOYSA-N 437.451 6.172 30 10 IKEE CCn1c(C)c(C=Nn2cnnc2SCc2ccc(C(C)(C)C)cc2)c2ccccc21 2326315619 NRYTWWOZFAJPME-UHFFFAOYSA-N 431.609 6.033 30 10 IKEE CCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1ccc(Cl)c(Cl)c1 2326327820 IUCXKQUYHHYACX-UHFFFAOYSA-N 447.435 6.619 30 10 IKEE CSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccc(C(C)(C)C)cc1 2326506152 ANVRDXHIIJOMDU-UHFFFAOYSA-N 428.989 5.721 30 10 IKEE Cc1cccc(CSc2nnc(CCCOc3cccc(C)c3)n2N=Cc2ccco2)c1 2326982188 CCBPLOIBQKIHJE-UHFFFAOYSA-N 446.576 5.674 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)C=Cc3cccc(F)c3)C2)c1 2329101362 KJNXPXJVXZGFHT-XMMPIXPASA-N 449.570 5.098 30 10 IKEE Clc1ccc(CSc2nnc(CCOc3ccccc3)n2N=Cc2ccccn2)cc1 2329210060 FHYDETNHYFKGBB-UHFFFAOYSA-N 449.967 5.123 30 10 IKEE CCOc1cccc(C=Nn2c(Cc3ccccc3F)nnc2SCc2ccccc2)c1 2329741353 NSFMVWGWSLUDHL-UHFFFAOYSA-N 446.551 5.581 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2cc(Cl)ccc2O)cc1 2330451832 CJONAQCEUYVEKF-UHFFFAOYSA-N 448.979 5.711 30 10 IKEE Oc1cccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2-c2ccccc2)c1 2330707445 VUIAJEUKLAZUQD-UHFFFAOYSA-N 438.915 5.618 30 10 IKEE C=C(C)CSc1nnc(CC(C)(C)C)n1N=Cc1ccc(OCc2ccccc2)cc1 2330840723 BUWWEYBHEOGDBP-UHFFFAOYSA-N 434.609 5.996 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2)n1N=Cc1c(Cl)cccc1Cl 2330844875 KQGPZPHELJNCQM-UHFFFAOYSA-N 433.408 6.348 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl 2330940349 DCMTUIVIJHQCCY-UHFFFAOYSA-N 441.310 6.507 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)ccc1OC(=O)c1cccc2ccccc12 2330949585 STLWSRMKQAZYSL-UHFFFAOYSA-N 442.898 6.617 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2C2CCCC2)cc1OC 2331032840 NYEXBELOMABCDD-UHFFFAOYSA-N 440.544 5.267 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CCCC2)c1 2331084625 SCCRTERZSOXPTP-UHFFFAOYSA-N 442.588 6.277 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3F)cc2Cl)c1 2331092514 MISMJZZGFJWKIA-UHFFFAOYSA-N 426.846 6.350 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc(F)c2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 2331146927 XJGMRUUSPRGBAG-UHFFFAOYSA-N 425.799 5.503 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2OCC)c1 2331231634 KPSYWIGDXCVVOE-UHFFFAOYSA-N 444.527 6.216 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2OC)cc1 2331235097 PISVKBSLYJXCBJ-UHFFFAOYSA-N 430.500 5.826 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1Cl 2331242308 NOCGKTSBTVMRIK-UHFFFAOYSA-N 445.729 7.071 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)cc3)c(Cl)c2)c1 2331319793 LYUPNWSSPSRRTC-UHFFFAOYSA-N 425.311 6.726 30 10 IKEE C[C@H](C(=O)Oc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1Cl)c1ccccc1 2331557667 XVBOEPJNRJABKM-HNNXBMFYSA-N 426.846 6.223 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(SCc2ccccc2F)nnc1C(C)C 2331698572 OQSVWLDJJPQSBC-UHFFFAOYSA-N 434.540 5.877 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)C3CCCC3)c(Br)c2)cc1C 2331706656 GYHLKLRWRKEPQX-UHFFFAOYSA-N 427.338 6.058 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)ccc1OC(=O)c1ccco1 2331869694 PNXJIRXLFATCKS-UHFFFAOYSA-N 442.467 5.955 30 10 IKEE CC1(C)[C@@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C[C@H]1OCc1ccccc1 2339537469 QGYFLSOGLSYHON-FCHUYYIVSA-N 434.389 5.522 30 10 IKEE C[C@@H](Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C(C)(C)CNC(=O)OC(C)(C)C 2339595100 FNORGVAYSSBIFA-QGZVFWFLSA-N 446.397 5.044 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Oc2cccc(C#N)c2[N+](=O)[O-])ccc1Br 2370352565 DENUTYIVNXAMBN-UHFFFAOYSA-N 434.246 5.368 30 10 IKEE COCC/N=c1\scc(-c2cc3ccccc3o2)n1/N=C/c1ccc(Cl)cc1Cl 15910164 FZJNNONSGZSAFY-STRHTSDCSA-N 446.359 5.699 30 10 IKEE COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2OC)c1 21218827 WDGCUGFWJBGAGP-DNOBIOAJSA-N 426.516 5.683 30 10 IKEE COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(C)c2)c1 21254682 DGMASYICSSTOMJ-VKGTZQKMSA-N 440.543 5.992 30 10 IKEE COc1ccc(/N=C2\Sc3nc4c(C)cccc4cc3CN2Cc2ccccc2)cc1 33938560 CKWRJAISLCNMDH-RQZHXJHFSA-N 425.557 6.347 30 10 IKEE C=CCc1ccccc1OCCOc1ccc(C)cc1/C=C1\N=C(c2ccccc2)OC1=O 34766184 HJGMVGQIIYVIKR-CLCOLTQESA-N 439.511 5.526 30 10 IKEE C=CCOC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)C[C@@H]1c1ccc(C(F)(F)F)cc1 37577360 DTKAPPZHIJKIGF-OAQYLSRUSA-N 443.465 5.533 30 10 IKEE O=C1/C(=C/C=C/c2ccccc2[N+](=O)[O-])S/C(=N/c2ccccn2)N1C1CCCCC1 39863079 MSOSFKVANABPSF-IVBWMXLOSA-N 434.521 5.483 30 10 IKEE Cc1cc(C)c2c(c1)c(C)cc1nnc(S[C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)n12 40170769 ALIMTBAUJSORTG-MRXNPFEDSA-N 433.537 5.009 30 10 IKEE C=CCc1ccc(OCCCn2c(Cc3ccc(OC)cc3)nc3ccccc32)c(OC)c1 40226146 CMIWNWPJNIUUKQ-UHFFFAOYSA-N 442.559 5.842 30 10 IKEE COc1ccccc1CN1COc2c(cc3c(c2C)O/C(=C\C=C\c2ccccc2)C3=O)C1 41588583 AFFQHVQQBLSRNY-MPYFKCLBSA-N 439.511 5.528 30 10 IKEE O=C1/C(=C/c2ccccc2F)S/C(=N/N=C\c2ccc(Cl)cc2)N1Cc1ccco1 47137907 SAZNLMJUCAEFNY-QCTNQPINSA-N 439.899 5.579 30 10 IKEE C=CCn1c(SCCC(=O)Nc2cccc3ccccc23)nnc1-c1ccc(Cl)cc1 59794975 AADUFZAPCSRVMM-UHFFFAOYSA-N 448.979 6.059 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)cc1 59855751 AZILTCUDQSTNDF-UHFFFAOYSA-N 436.596 6.351 30 10 IKEE CCCCCCCCCCCCCCCCCCCOC(=O)/C=C/c1ccc(O)c(O)c1 85613196 HEWHLFWASLHENG-LSDHQDQOSA-N 446.672 8.306 30 10 IKEE CCCCCCCOc1cccc(NC(=O)CNc2ccc(C(=O)N[C@@H](C)CC)cc2)c1 100100818 JEDWZZXUFHPQQQ-FQEVSTJZSA-N 439.600 5.615 30 10 IKEE CCCCCCCOc1cccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)c1 100140250 YMBWIVYLWSWXEU-MHZLTWQESA-N 428.576 6.803 30 10 IKEE CCCCCCCCCCn1c([C@@H]2CC(=O)N(c3c(C)cccc3C)C2)nc2ccccc21 102201466 DKSIEMHBGRZDQB-XMMPIXPASA-N 445.651 7.314 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2cccs2)c1 169928539 MWHLIRHGSQRXTH-FQEVSTJZSA-N 439.920 5.189 30 10 IKEE CCCCCOc1ccc([C@@H]2NC(=S)N(CCC)C3=C2C(=O)CCC3)cc1OCC 169929827 MUIAQHJNTOJIDV-QHCPKHFHSA-N 430.614 5.303 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3ccccc3OC)cs2)cc(Cl)c1OCC 169942365 AZPWIZLLUIWSLD-FMCGGJTJSA-N 431.945 5.716 30 10 IKEE COc1ccc(-c2csc(N/N=C\c3ccc(OC(C)C)c(Cl)c3)n2)c(OC)c1 169942380 UTDUHFHCSKYIER-KSEXSDGBSA-N 431.945 5.714 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2cccnc2)cc1Cl 170008641 ITXIZKUVAMROQA-JOCHJYFZSA-N 443.890 5.308 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2cccc(C)c2)c1 170035866 MLAKJSPMWNWOFX-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1 170061013 MLCVSDLWWDOEBU-HXUWFJFHSA-N 427.353 5.026 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)cc1C 170065425 ORXVUVFCDSZMGY-HSZRJFAPSA-N 449.453 5.060 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cn(C)c3ccccc23)c1 170084395 RBMYFSXTBWEJMY-DEOSSOPVSA-N 440.499 5.167 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccccc2C)cc1C 170088338 KXXZVYMQODRVMS-QHCPKHFHSA-N 449.453 5.373 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2ccco2)cc1 170093859 YKZUYMCGPBGDJY-FQEVSTJZSA-N 441.405 5.644 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2sccc2C)cc1C 170106923 GPFSYLZTKWAPHN-HXUWFJFHSA-N 437.948 6.110 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1c1ccccc1 170122432 MOTDOWIMSXPNOP-HSZRJFAPSA-N 425.440 5.224 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccc(C)c2)cc1 170140972 IIKOQFAVJCMJQH-RUZDIDTESA-N 441.527 5.875 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@@H]1c1cccs1 170158459 UYEGRWGIVZWPFZ-JOCHJYFZSA-N 433.529 5.465 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccs2)cc1C 170161685 ATQTYHUCTKAXQV-JOCHJYFZSA-N 433.529 5.465 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccccn2)c1 170172476 ZIYZWPDWAPOTKK-XMMPIXPASA-N 442.515 5.269 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccncc2)cc1C(C)C 170209271 VGKDRKLFVCGBBN-XMMPIXPASA-N 448.563 5.433 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccccc2)ccc1Cl 170227987 DLMVJDYDUABQGX-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1c[nH]c2ccccc12 170254421 UICRAEBIVSKPNL-QHCPKHFHSA-N 442.446 5.099 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@H]1c1ccc(CC)cc1 170267678 DGYSGFHKLAJOMZ-XMMPIXPASA-N 435.564 5.759 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@@H]1c1ccc(CC)cc1 170268325 URHDDUOKEUQLGB-QFIPXVFZSA-N 441.955 5.680 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccco2)c1 170282974 INIDHTZNXWBNNQ-IBGZPJMESA-N 438.277 5.133 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2c2ccccc2O)o1 170301088 UKKCIBHXHKRYSL-IBGZPJMESA-N 444.270 5.383 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2Cc2ccccn2)o1 170307326 RIHNNZXZPAOPAS-LJQANCHMSA-N 443.286 5.068 30 10 IKEE CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 170467375 QHUHDNMZKRFBFR-QHCPKHFHSA-N 433.592 6.407 30 10 IKEE CCCCCCCC[C@@H](NN)c1cc(I)ccc1Br 232929494 RXICGKVYAXGMJP-OAHLLOKOSA-N 439.179 5.309 30 10 IKEE CC1(C)CSC(=Nc2cccc(C(F)(F)F)c2)N1C(=O)/C=C/c1ccccc1[N+](=O)[O-] 254403972 UCIRUMCKFSROQL-OYBDUZOJSA-N 449.454 5.669 30 10 IKEE COc1cc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2cccc(C#N)c2)cc(Cl)c1O 526515048 HNZQZFIVVYKSQS-LJQANCHMSA-N 438.892 5.045 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(C(C)C)cc1 526774283 UQXGKSBVXKUFBY-DEOSSOPVSA-N 445.946 6.555 30 10 IKEE C#CCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586241352 NHGKPAGFTSSHIW-UHFFFAOYSA-N 432.328 5.614 30 10 IKEE C=CCCN(c1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586244052 YRFVDXQXMBJOMR-UHFFFAOYSA-N 439.408 5.755 30 10 IKEE CCc1ccccc1N(Cc1cccc(C#N)c1)S(=O)(=O)c1cc(Cl)ccc1OC 586256566 XMXRBQROCKOTAL-UHFFFAOYSA-N 440.952 5.178 30 10 IKEE N#Cc1cccc(NC(=O)c2cccc(NC(=O)N(Cc3ccccc3)c3ccccc3)c2)c1 586675599 YXVFUGJYFFZMQX-UHFFFAOYSA-N 446.510 6.049 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 698424111 JDWJQUSBJFKHEC-UUOWRZLLSA-N 429.561 5.418 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1cc(Cl)ccc1F 698454879 JORBPVRMMWJSEE-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@H](C#N)c1ccc(F)cc1Br 710749736 AJXNTKCQBMKAFF-SFHVURJKSA-N 425.342 6.113 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@@H](C#N)c1cc(Br)c(Cl)s1 710809087 QSOOTONYRDAYHG-ZDUSSCGKSA-N 427.751 6.170 30 10 IKEE CO[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@@H]3C[C@@H](C#N)[C@]2(O)C1 1076482233 IKAYYSYGCHKPAB-RMOKSIIPSA-N 443.716 6.987 30 10 IKEE COc1ccc(OC)c(C=Nc2sc3c(c2C(=O)NCc2ccccc2)CCCC3)c1 1083960969 OARZFRWXYAJZJE-UHFFFAOYSA-N 434.561 5.325 30 10 IKEE Cc1cccc(CSc2nc3ccc(N=Cc4cc([N+](=O)[O-])ccc4O)cc3s2)c1 1083971807 CXHYKOWQIHXABW-UHFFFAOYSA-N 435.530 6.261 30 10 IKEE CCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CC)C(=Nc3cccc(Cl)c3)S2)cc1 1084160659 MNJBOTGNBQJOHR-IBGZPJMESA-N 445.972 5.109 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=Nc1ccccn1 1772730327 DOHOYRWNPYJWGG-DJCXZETLSA-N 440.868 5.137 30 10 IKEE Cc1cccc(N=C2S[C@H](CC(=O)c3ccc(Cl)cc3)C(=O)N2c2cccc(C)c2)c1 1772760137 SWKVMWDRHCQJDM-HSZRJFAPSA-N 448.975 6.366 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)c2ccc(C)cc2)c(=O)cc1C(=O)O 1857891363 SQZZEBFQFILQCB-UHFFFAOYSA-N 427.541 5.257 30 10 IKEE N#Cc1cccc(NC(=O)Oc2cccc3c(NC(=O)OCc4ccccc4)cccc23)c1 1858778460 JFQYIAGJWHCBRO-UHFFFAOYSA-N 437.455 6.071 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)c1ccc(OCC(C)C)cc1 1861771781 UOXGFQPVTJWURT-RUZDIDTESA-N 446.676 6.267 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cccc(F)c1)c1ccc(Cl)cc1Cl 1862383927 YYPXBDQOAPTNAB-LJQANCHMSA-N 434.294 5.653 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@H]2c2ccccc2C)c1 1862411356 FRJTWSAPHOCBKL-HSZRJFAPSA-N 433.454 5.360 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@H]2c2ccccc2F)cc1 1862430512 LYYKNVSLQUSTIW-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1cccc2ccccc12)c1ccccc1Cl 1862435576 ZEIYIPLKLMABAL-GAJHUEQPSA-N 447.918 5.251 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@@H]1c1ccc(O)cc1)c1cccc(Cl)c1 1862442481 JJLRCRJVNZLVRG-JOCHJYFZSA-N 437.923 5.514 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2C2CCCCCC2)c1 1862455904 FTQNETULCOLESB-JOCHJYFZSA-N 443.465 5.713 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2CCC)cc1 1862462595 HHOJQNYUBBLUOB-OAQYLSRUSA-N 447.453 5.271 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2ccccc2F)c1 1862490257 QYMGPHPNSBMDQU-VWLOTQADSA-N 443.518 5.654 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2cccc(Cl)c2)cc1 1862490888 GIZQCLZUUXQIFG-DEOSSOPVSA-N 445.946 6.044 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cccc(Cl)c1 1862548052 JISSUXIGTPNBTQ-HSZRJFAPSA-N 437.967 5.987 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2cccc(C)c2)cc1 1862589010 BZGMXWDVNOUMKT-CJAUYULYSA-N 441.527 5.603 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C2CCCCC2)cc1 1862595625 IVPUCCQJEFKKTD-QHCPKHFHSA-N 435.520 5.092 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCCO)cc1 1862616030 OWDPWBLIRYMXIB-HSZRJFAPSA-N 435.564 5.068 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2c(F)cccc2Cl)cc1 1862620633 WDDVKSLKDAANHW-HXUWFJFHSA-N 427.903 5.517 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862649487 ZLJFIBHQEUCOCL-MHZLTWQESA-N 447.534 6.235 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc2c(c1)CCCN2C 1862659195 ZIRSWQCRBNEGJF-VWLOTQADSA-N 440.543 5.211 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@@H]1c1ccccc1F)c1ccc(F)cc1 1862672667 FFTXFSCLEUAQKZ-JOCHJYFZSA-N 425.475 5.656 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(OC)c(OC)c1 1862717054 VMONEUMLTFCBFM-UPCLLVRISA-N 445.515 5.234 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862728213 WDDYAOSUYZUYCM-QHCPKHFHSA-N 442.471 5.249 30 10 IKEE N#Cc1ccc(N2C(=O)C(Nc3ccc4ccccc4c3)=C(c3ccccc3F)C2=O)cc1 1862926123 WSEVEOJSDAXQTB-UHFFFAOYSA-N 433.442 5.247 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cc(Cl)ccc3C)C2=O)c1 1863021158 FGKGPHBIDOZTKW-UHFFFAOYSA-N 441.918 5.534 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N(CCCC)CCCCCC)nn1C(C)(C)C 1870057243 AJVPGKSKJWPKDQ-UHFFFAOYSA-N 435.701 6.909 30 10 IKEE CCCCCCCCCCn1cc(OCCCOc2ccc(Cl)cc2)c(=O)cc1C 1870087802 IMXZGXJIJGVAPW-UHFFFAOYSA-N 434.020 6.799 30 10 IKEE CCCCCCCCn1cc(OCCc2ccccc2)c(=O)cc1CN1CCC[C@H](C)C1 1870691814 PRTMYZPFSVQVNF-DEOSSOPVSA-N 438.656 6.062 30 10 IKEE CCCCCCCCCCn1cc(OCCO)c(=O)cc1CNc1cccc(Cl)c1C 1870791635 FLLUHNXQAYUZPI-UHFFFAOYSA-N 449.035 5.934 30 10 IKEE CCCCCCCOc1cn(Cc2cccnc2)c(CNc2cc(C)ccc2C)cc1=O 1870833359 FVGIHCJAGDJQJM-UHFFFAOYSA-N 433.596 5.870 30 10 IKEE C#CCOc1cn(CCC2=CCCCC2)c(CNc2cc(Cl)cc(Cl)c2)cc1=O 1871008700 JMGXIXRKVVCULU-UHFFFAOYSA-N 431.363 5.670 30 10 IKEE C=CCn1cc(OCCC)c(=O)cc1CNc1ccc(OCc2ccc(Cl)cc2)cc1 1871104451 CLFXPPQBORZNLU-UHFFFAOYSA-N 438.955 5.668 30 10 IKEE CCCCCCCCn1cc(OCCC)c(=O)cc1CNc1ccc(OCCCC)cc1 1871105811 VYBZCJMWMQXORX-UHFFFAOYSA-N 442.644 6.789 30 10 IKEE CCCCCCCCCCN=c1nc2c(cnn2C)c(Nc2ccccc2C(F)(F)F)[nH]1 1871298610 CWFIUWAFPHWAQP-UHFFFAOYSA-N 448.537 6.100 30 10 IKEE Cc1cc(OC(=O)C(Cl)(Cl)Cl)cc2c1C(=O)/C(=C/c1ccccc1Cl)O2 1871363001 AITCYYRKAABXEV-AUWJEWJLSA-N 432.086 5.540 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OC(=O)c3cccc(Br)c3)cc(C)c2C1=O 1871364888 YHHBTMXMIOXHHB-MTJSOVHGSA-N 449.300 5.901 30 10 IKEE Cc1cc(OC(=O)c2ccc(OCC(C)C)cc2)cc2c1C(=O)/C(=C/c1cccnc1)O2 1871383006 JOWTTZMONWECRV-FMCGGJTJSA-N 429.472 5.260 30 10 IKEE CCOc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 1871408019 SZHYTEZAEIDEDX-SGMWPGOQSA-N 447.462 5.247 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871410544 DIFMEWPMAOYTBF-SDPDQUOZSA-N 427.500 5.580 30 10 IKEE Cc1cc(OC(c2ccccc2)c2ccccc2)cc2c1C(=O)/C(=C/c1ccc(F)cc1)O2 1871430930 KIXUFRAKYHZRJG-ONUIUJJFSA-N 436.482 6.919 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccc(F)cc4)c3C)C2=O)cc1 1871456569 LVMCWHRPEICUIY-UCQKPKSFSA-N 431.463 5.330 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(OCCCC)cc2)[nH]c(N(C)C)n1 1871615516 XJUQZMCUNNJVGZ-UHFFFAOYSA-N 442.652 5.835 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccccc1CC)[C@@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1872493648 GYGIELBTFVVPAL-HTAPYJJXSA-N 449.016 5.133 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(Cl)ccc3OC)n2)cc1 1872770418 SWEKVWGWZHGTOU-GOSISDBHSA-N 426.925 5.751 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(Cl)c(C)c3)n2)cc1 1872770480 VTJYFMUOPFZHBU-IBGZPJMESA-N 440.952 5.816 30 10 IKEE CCCCCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc1 1872776628 TXIHPXPAJOMIEZ-XMMPIXPASA-N 446.616 7.383 30 10 IKEE CSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1/N=C/c1cccc(Cl)c1 1874195301 IAWKJBLZLYVTJL-PCLIKHOPSA-N 443.016 5.845 30 10 IKEE CCCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccccc1C(=O)O 1874232489 MUQHJPGFFNDSKQ-YZSQISJMSA-N 444.560 5.299 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccc(OCCC)cc1 1874264418 WBAQMMRQLOAMGQ-BUVRLJJBSA-N 442.972 5.460 30 10 IKEE CCCCC1CCC(c2nnc(SCCO)n2/N=C/c2cn(C)c3ccccc23)CC1 1874286434 FZEFGBVKVYPJOI-PCLIKHOPSA-N 439.629 5.200 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2Cl)cc1 1874366987 FHBNZINVGGFTEE-MFKUBSTISA-N 434.952 5.782 30 10 IKEE Cc1ccccc1CSc1nnc(COc2ccccc2)n1/N=C/c1sccc1C 1874382965 RSCCYYBFRZMKNW-ZVHZXABRSA-N 434.590 5.710 30 10 IKEE CCc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2cccc(C)c2)cc1 1874398843 QLRSNVXLAQYRBI-TURZUDJPSA-N 440.616 6.109 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2ccccc2Cl)nnc1[C@H](C)c1ccccc1 1874400154 JZAQJAUSPAHVIP-BWJYWGHISA-N 447.007 6.566 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2ccccc2C)nnc1[C@H]1CCCO1 1874443082 RZKGZLZCHFTEEO-NJRDNMGOSA-N 434.565 5.177 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C(F)(F)F)c1 1874461786 AQGFUWJVNXYLSR-LGJNPRDNSA-N 426.467 5.933 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3ccccc3F)nnc2-c2ccco2)c1 1874467257 ZVVCKQSYFBXCOA-MFKUBSTISA-N 436.512 5.641 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2-c2ccco2)cc1 1874467487 LBIYPGHPQXPGPW-ZVHZXABRSA-N 438.940 5.765 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2-c2ccco2)cc1 1874468927 FBLQBXVHINWDBB-FOKLQQMPSA-N 428.876 5.211 30 10 IKEE CCCCc1nnc(SCCc2ccccc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874478746 PEFDSCKPLLHIGD-BUVRLJJBSA-N 433.408 6.145 30 10 IKEE Cc1ccccc1/C=N/n1c(CC(C)C)nnc1SCc1ccc(Cl)c(Cl)c1 1874492375 KPUGHNQECVHGME-WYMPLXKRSA-N 433.408 6.266 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CCC2)c1 1874496810 GBIIQPQMSGJRIP-ZVHZXABRSA-N 426.973 5.772 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(CCC)nnc2SCc2cccc(C)c2)cc1 1874503450 IDHRQTLIJVNLMQ-NLRVBDNBSA-N 436.625 6.283 30 10 IKEE CCCSc1nnc(CCC)n1/N=C/c1ccc(OCCc2ccccc2)c(OC)c1 1874508388 ALFGCBUXCRCEMF-XIEYBQDHSA-N 438.597 5.245 30 10 IKEE CC(C)c1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874509290 VHGRRGZGEDRECL-MFKUBSTISA-N 435.597 5.312 30 10 IKEE Cc1ccsc1/C=N/n1c(SCC(=O)Nc2c(C)cccc2C)nnc1C(C)C 1874513154 JYZPOMFNSCNFOR-SSDVNMTOSA-N 427.599 5.001 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2ccccc2Cl)cc1 1874573822 GSGSWXVKJCOPBX-ISLYRVAYSA-N 434.963 7.166 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(Cl)cc2)c1OCC(=O)Nc1ccc(C)cc1 1874578591 WJZIHKNXCUUSJO-XNTDXEJSSA-N 435.907 5.571 30 10 IKEE C[C@H](NC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(F)cc1)c1ccccc1 1874583737 DGRDJGUBICWHGO-VEMDQMBVSA-N 437.898 5.631 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cc(Cl)ccc1OCc1cccc(C)c1 1874592712 XYJMKJNQLAVJFH-RMKNXTFCSA-N 427.327 6.786 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1OCC(=O)NC1CCCCC1 1874597475 OXHRQBZCEIVFRR-JQIJEIRASA-N 443.543 5.572 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OCC(=O)Nc1c(C)cccc1C 1874598753 CKLXZPJSTLVFTO-JLHYYAGUSA-N 443.543 5.842 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 1874601109 UWAJBUQYIXVUJW-WEVVVXLNSA-N 447.745 7.131 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1 1874601564 RBQUGEWFWMTHLB-DEDYPNTBSA-N 447.534 6.576 30 10 IKEE COc1c(Br)cc(/C=C/C(=O)c2ccc(F)cc2F)cc1Br 1874612051 ZNPRDCUAHUVIGK-GORDUTHDSA-N 432.058 5.395 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1Cl 1874613119 DEHCMSZJEWQHOV-WUXMJOGZSA-N 440.326 6.215 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc([N+](=O)[O-])c1OCc1ccccc1C 1874617729 QOYZQUZQXRLSCO-ACCUITESSA-N 445.515 6.394 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc1OC(=O)c1cccc(C)c1 1874717761 BXXOALOOYUOCKP-JXMROGBWSA-N 436.891 5.781 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1)c1ccc2c(c1)CCCC2 1875096905 KLIPEDJWLGZNCP-XMHGGMMESA-N 432.519 6.834 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)cc2)cc1[N+](=O)[O-] 1875097046 SCIIRSXBMYDBPB-OQLLNIDSSA-N 441.483 5.897 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)C3CCC3)c(OCC)c2)cc1 1875106331 NKIWVVQNOLTIPJ-NTCAYCPXSA-N 440.967 6.683 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cc(Cl)ccc3Cl)cc2)cc1 1875112790 OZCVNWFJEOIFBE-YIXHJXPBSA-N 441.310 6.046 30 10 IKEE CC(C)(C)CC(=O)Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1Br 1875113473 JFPNGFQOPVLRIF-CSKARUKUSA-N 435.745 6.340 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Br)c2)ccc1OC(=O)c1ccco1 1875115644 OCAQSCWGVUSPLQ-CSKARUKUSA-N 441.277 5.556 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)c1ccccc1F 1875123296 GCEKSHYGXJOURB-MDZDMXLPSA-N 445.273 6.256 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1sccc1C 1875132434 SAAMHPWCWZCGSD-XVNBXDOJSA-N 447.339 6.487 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)c1cccs1 1875141999 GVHCRRNSDKRFMO-RMKNXTFCSA-N 444.911 6.363 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)Cc1ccccc1 1875142804 UWTAAUAUQPRLER-SDNWHVSQSA-N 444.502 5.915 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(Cl)c3)c([N+](=O)[O-])c2)cc1 1875157040 QIUXABVRQHQCJG-WUXMJOGZSA-N 449.890 6.487 30 10 IKEE CCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1Br 1875166896 KBCHAWMZEVEVFI-JXMROGBWSA-N 431.326 5.676 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3cc(C(C)(C)C)ccc3C)cc2)cc1C 1875184532 FRPASJTXKUSLNN-FOWTUZBSSA-N 440.583 6.954 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)cc(OC)c1OC(=O)CCC 1875186328 PNRFMZFRMLKJMQ-PKNBQFBNSA-N 428.912 5.687 30 10 IKEE CC1(C)OB([C@]23C[C@H]2CCN(Cc2cc(Cl)ccc2Br)C3)OC1(C)C 1879794459 LWXXCKBHGCILGF-KUHUBIRLSA-N 426.591 5.161 30 10 IKEE C=CCCSC(C)(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1883382967 CHNSCSLAJGCDLK-NRFANRHFSA-N 425.550 5.066 30 10 IKEE Cc1ccc(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 1907794543 VYRXANKNBJYCAF-GLDPYIMESA-N 427.545 5.028 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1CN(C(=O)OC(C)(C)C)CC12CCC2 1922086499 QSOUHIBBDUWORM-XZOQPEGZSA-N 428.617 5.165 30 10 IKEE C=C([C@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC)[Si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c1ccc(Cl)cc1 1991578796 JJHLDGGBJBXXQJ-VGOFRKELSA-N 435.952 5.373 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@H](C#N)[C@]1(C)CCCN1C(=O)OC(C)(C)C 1991926741 NPHCNZXGWOIDBS-VGSWGCGISA-N 435.590 5.167 30 10 IKEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 1999926497 KTCIJTBWYICQRK-UUOWRZLLSA-N 435.609 5.486 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C12CCCCC2 2017320705 KRIGGPWJFCYGDN-FQEVSTJZSA-N 447.498 5.002 30 10 IKEE CC1(C)CCC[C@]12CSC(=NCC1(N(Cc3ccccc3)Cc3ccccc3)COC1)N2 2033144906 PAADLVWDRAZJGO-MHZLTWQESA-N 449.664 5.099 30 10 IKEE C#CC(C)(C)C[C@H](NCCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2048685113 VHXWEVHXKWJBBV-HOFKKMOUSA-N 442.644 5.248 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1cccc(CCNC(=O)OC(C)(C)C)c1 2063595822 GGKBKMLFUCMEKS-VWLOTQADSA-N 438.612 5.568 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 2070325478 FDXXIQDBUNTIMS-FAWUNYRSSA-N 432.564 6.014 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCCC)c2scc(Br)c2C)C1 2077084775 WKSYSDZITGUWRL-MRXNPFEDSA-N 429.424 5.473 30 10 IKEE Fc1ccc(-n2nc(C3CCC3)c(Br)c2C(F)(F)F)cc1C(F)(F)F 2078999519 QXAFQUYYJWDWCY-UHFFFAOYSA-N 431.149 6.079 30 10 IKEE Cc1cc(O)c([C@H](C2CCC2)n2nc(C(F)(F)F)c(C#N)c2Br)cc1C 2080043532 WDKRRPGECMRQID-HNNXBMFYSA-N 428.252 5.248 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H](c2c(C3CCCCC3)nn3c(Cl)c(C#N)cnc23)C1 2081504508 LTHRUEULMMQYRG-MRXNPFEDSA-N 443.979 5.417 30 10 IKEE CCN(Cc1cccc(Nc2ccc(C#N)cc2Br)c1)C(=O)OC(C)(C)C 2162423674 UPQREDHJYAFTLV-UHFFFAOYSA-N 430.346 5.821 30 10 IKEE CCC[C@H]1CCOCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2165351070 SBFUMZOJPBBKLI-HRAATJIYSA-N 437.378 5.680 30 10 IKEE COc1cc(Br)ccc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(C)cc1 2165552400 ZVQHQQMYEFTSHW-SFHVURJKSA-N 431.330 5.773 30 10 IKEE CC[C@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1Cc1ccc(C#N)cc1Cl 2174566887 ZWKRGHVXJLPIEH-FCHUYYIVSA-N 425.960 5.223 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CN(c2ccc(C#N)cc2Br)C2(CCCCC2)C1 2174807846 HEYCDUBKTSNVQS-MRXNPFEDSA-N 434.378 5.127 30 10 IKEE CCCN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Br)cc1C#N 2174812501 LNAKIEYKWOTUIX-UHFFFAOYSA-N 436.394 5.184 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)[C@@H]1C[C@H]1C1CCCCC1 2200283086 RZOKDHOWNOZAFX-XUVXKRRUSA-N 433.390 6.299 30 10 IKEE C=CC1CC(CO)(N(C(=O)OCC2c3ccccc3-c3ccccc32)c2ccccc2C)C1 2211068699 HIMBFBTZYZYSGD-UHFFFAOYSA-N 439.555 6.078 30 10 IKEE C=C([C@H](NC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)C(C)(C)C 2229133443 JQGJZKJWGCTCOB-ROUUACIJSA-N 425.411 5.075 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C(=O)C#Cc2ccc(Cl)cc2)cc1Br 2231102926 JEARHMSMKOFHKC-UHFFFAOYSA-N 434.717 5.684 30 10 IKEE C#CCCC[C@@H](NCCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237408123 AMUPDCCTHBNGTI-UXHICEINSA-N 437.422 5.057 30 10 IKEE C=CCCC1([C@H](N)c2c(Cl)cccc2Br)CN(C(=O)OC(C)(C)C)C1 2254999282 OZPCSHOVYUYPJL-MRXNPFEDSA-N 429.786 5.306 30 10 IKEE CN[C@@H](CC=CC#CC(C)(C)C)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2256695397 YOYOMUPKXHBJKB-QHCPKHFHSA-N 440.628 5.024 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCC[C@]2(C)CNC(=O)OC(C)(C)C)c1 2258855881 LVRSXJYDJBJPNE-JWQCQUIFSA-N 443.588 5.714 30 10 IKEE N[C@@H](C#Cc1ccc(Br)cc1)c1ccc(Br)c(Br)c1 2278780520 BXMNIXMSBLWKSF-HNNXBMFYSA-N 443.964 5.026 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](Nc2cc(Br)ccc2C#N)C[C@@H]2CCCC[C@@H]21 2279522043 MODLVXAHSYCWEG-YJLNNSPDSA-N 434.378 5.301 30 10 IKEE C=CCOc1ccc(C=C2SC(=Nc3cc(C)cc(C)c3)NC2=O)cc1Br 2294025333 HTWDKOKPNSLZLS-UHFFFAOYSA-N 443.366 5.522 30 10 IKEE O=C1C(=O)N(Cc2ccco2)[C@H](c2ccc(Cl)cc2)C1=C(O)c1ccc(Cl)cc1 2296240075 ABRYUGDREVOOIP-LJQANCHMSA-N 428.271 5.208 30 10 IKEE CCOc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2ccccc2)cc1 2296256038 RWRNKYRPZNKWEG-RUZDIDTESA-N 425.484 5.268 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)CCC[C@@H](C)NC(=O)OC(C)(C)C 2296310782 NSXQFUIXTIXDGG-YLJYHZDGSA-N 437.422 5.252 30 10 IKEE CCCCCCCCOc1ccc(NC=C2N=C(c3ccc(Cl)cc3)OC2=O)cc1 2297296764 IYVGOXPHYUNJJL-UHFFFAOYSA-N 426.944 6.336 30 10 IKEE CC1(C)C(=S)N(c2ccccc2Cl)C(=NC2CCCCC2)[C@@H]1N1CCSCC1 2297382595 KIBGZXXEKNJNQP-IBGZPJMESA-N 436.090 5.662 30 10 IKEE O=C(C=CSc1c(Cl)cccc1Cl)c1ccc(I)cc1 2297565443 XFCACBRAXJZNNR-UHFFFAOYSA-N 435.113 6.087 30 10 IKEE CCN[C@H](C#CC1(OC)CCCCC1)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 2300843028 XPPMCXGYCMQKRO-HSZRJFAPSA-N 428.617 5.145 30 10 IKEE Cc1ccc(COc2cccc(C=C3SC(=Nc4nc(C)cs4)N(C)C3=O)c2)cc1 2314542897 PYYQWUCLZLLRGQ-UHFFFAOYSA-N 435.574 5.573 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)c1 2319205754 YPUWOMMCVIEVQZ-PCCBWWKXSA-N 443.588 5.712 30 10 IKEE COc1cccc(C=C2Oc3cc(OCc4ccc(Cl)cc4Cl)cc(C)c3C2=O)c1 2321784419 NVVZUFIQLLQYOL-UHFFFAOYSA-N 441.310 6.506 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OCc4ccc(Br)cc4)c3C)C2=O)c1 2321844648 LPFQBBKNTNFFFL-UHFFFAOYSA-N 435.317 6.261 30 10 IKEE CCCOc1ccc(C=Nn2c(S)nnc2COc2ccc(C)cc2C(C)(C)C)cc1 2322260418 RYWNNQJGDMTUMV-UHFFFAOYSA-N 438.597 5.423 30 10 IKEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1ccc2ccccc2c1)Nc1ccccc1 2322327954 XJOYAPWIRMXEJR-UHFFFAOYSA-N 441.914 6.407 30 10 IKEE COC(=O)COc1c(C=CC(=O)c2ccc(Cl)cc2Cl)cc(Cl)cc1OC 2322390819 AKEQNRJRBYXSAG-UHFFFAOYSA-N 429.683 5.103 30 10 IKEE Cc1ccc(C)c(CN2COc3c(cc4c(c3C)OC(=Cc3sccc3C)C4=O)C2)c1 2322415088 XBNJDIPIKXGCMH-UHFFFAOYSA-N 431.557 5.950 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(Br)cc1C=CC(=O)c1ccccc1 2322542549 FVKONBVLJSHPDW-UHFFFAOYSA-N 444.369 5.373 30 10 IKEE COC(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccc(OC)c2ccccc12 2323012987 IGQKQVFGQQGUSK-UHFFFAOYSA-N 426.468 5.450 30 10 IKEE COc1ccc(NN=Cc2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1 2323069091 SVZYYSGNZKDQKQ-UHFFFAOYSA-N 441.325 5.491 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCc3c(F)cccc3Cl)c2)cc1 2323094370 PGCLFRZAIBCGPB-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE CCCCCCCCCOc1ccc(C=NNc2nc(C)cc(O)n2)cc1Br 2323106122 REQQWOFNVKJDDZ-UHFFFAOYSA-N 449.393 5.829 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OCc3ccc(C)cc3)c2)cc1OCCC 2323118098 LRYCJNAHTJNEGK-UHFFFAOYSA-N 444.571 7.048 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)c4ccc(Cl)cc4[N+](=O)[O-])ccc3C2=O)c1 2323282928 KWCLDIQNAZJUIS-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE Cc1c(OC(=O)c2cccc(F)c2)ccc2c1OC(=Cc1c(F)cccc1Cl)C2=O 2323299931 OEHNCQQRYGCXCQ-UHFFFAOYSA-N 426.802 5.762 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1OCc1ccccc1Cl 2323327250 NYBUFQFEVBNSQR-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc(Br)c1OC 2323353822 PGAQPHQBQAQKMQ-UHFFFAOYSA-N 437.333 6.420 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)C=Cc4cccc([N+](=O)[O-])c4)cc(C)c3C2=O)o1 2323437885 NIWMIBADHCEPLN-UHFFFAOYSA-N 431.400 5.040 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)ccc1OCCc1ccccc1 2323530419 DOKVGEOPTJFXLS-UHFFFAOYSA-N 441.354 6.910 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2C)C3=O)cc1 2323828998 MIKANFVUJCGRBQ-UHFFFAOYSA-N 428.484 5.928 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 2323922489 JKZOHVWCDSECQQ-UHFFFAOYSA-N 441.354 7.257 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2OC)o1 2323960096 LPMXOKQYJOMRPZ-UHFFFAOYSA-N 434.488 5.557 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3c(F)cccc3Cl)c(Cl)c2)cc1F 2324110038 OEJWBIOTDHBDNQ-UHFFFAOYSA-N 449.280 6.755 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3cccc(C)c3)c([N+](=O)[O-])c2)c(OC)c1 2324474060 GXTSPMYPKYYSIW-UHFFFAOYSA-N 433.460 5.396 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OCc3cccc4ccccc34)c(Cl)c2)c(C)c1 2324545767 DVNBNVNSWPTSJI-UHFFFAOYSA-N 440.970 7.894 30 10 IKEE Cc1cccc(OCCCOc2ccc3c(c2)OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)c1 2324561684 PDWAQGOVZGAMAL-UHFFFAOYSA-N 442.555 6.757 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(C(C)C)cc3)n2)c(C)c1C 2324706381 ZKWCHRULQDNGBT-QFIPXVFZSA-N 430.573 6.449 30 10 IKEE CCCC[C@@H](Oc1cc(C)c2c(c1)OC(=Cc1cccc(Br)c1)C2=O)C(=O)O 2324781231 VTINBAXECVZEIN-QGZVFWFLSA-N 445.309 5.396 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCC(=O)Nc4c(C)cccc4C)cc(C)c3C2=O)c1 2325494768 WXKJKQGXHHENHZ-UHFFFAOYSA-N 427.500 5.554 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(OC)c(O)c1 2325610446 KSVYCCDMAIYBTJ-UHFFFAOYSA-N 437.352 5.036 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2cccc(C=CC(=O)c3ccc(Br)cc3)c2)c1 2325716547 UCAGHKHJRSVBJK-UHFFFAOYSA-N 435.317 6.181 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1cccc(C=CC(=O)c2ccccc2Cl)c1 2325717577 QHMOEQHAJGNHDQ-UHFFFAOYSA-N 426.899 6.537 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)CCCOc3cccc(C)c3)c2)cc1 2325735011 LZFILHRAZHBKER-UHFFFAOYSA-N 444.527 6.054 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)c3ccc(C)c(C)c3)c2)cc1C(C)C 2325754095 WNBULQRMGOGUAA-UHFFFAOYSA-N 442.555 6.859 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)CCc3ccccc3)c2)c(OC)c1 2325760972 TYEOZXSOESOSTE-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3c(F)cccc3Cl)c2)cc1Cl 2325769308 NTBHJXCBFKDZDH-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE CCOc1cccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2)c1O 2326231991 IPDKALJEJOZUEY-UHFFFAOYSA-N 444.560 5.148 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccc(C)c(C)c3)n2N=Cc2ccco2)c1 2328782175 IUWSZUZQFUDZAD-UHFFFAOYSA-N 432.549 5.550 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(Cl)cc3)n2N=Cc2ccncc2)cc1 2329065468 QWZAMQNUBDDOBN-UHFFFAOYSA-N 433.968 5.400 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2N=Cc2cccs2)cc1C 2329398043 CUAHSAHJIYNYIN-UHFFFAOYSA-N 436.581 5.861 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccccc3Cl)n2N=Cc2ccccc2)cc1 2329609012 JLFDKVFKMQGAMS-UHFFFAOYSA-N 439.371 6.426 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccccn1 2329777448 FOGPYFLQBIDYPW-UHFFFAOYSA-N 437.931 5.231 30 10 IKEE Cc1cccc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccc(Cl)cc2)c1 2330282825 OVUFDGZFHKCPHP-UHFFFAOYSA-N 439.028 6.537 30 10 IKEE C=CCSc1nnc(Cc2cccs2)n1N=Cc1ccc(OCc2ccccc2)cc1 2330413897 KVHSBBJOKLHKEM-UHFFFAOYSA-N 446.601 5.670 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c(C)c2)cc1 2330855751 QOKMKZWYPSWZEL-UHFFFAOYSA-N 446.499 5.283 30 10 IKEE CCc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2cccc(Cl)c2)cc1 2330873306 PDJOMVCNRDEFBX-UHFFFAOYSA-N 427.017 6.257 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)ccc1OC(=O)Cc1ccccc1Cl 2330949441 RPTJWZPESRQURY-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE Oc1cccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2[C@H]2CCCO2)c1 2330977118 QJEWOKALZXQPDM-GOSISDBHSA-N 449.363 5.317 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCCC3)n2N=Cc2c[nH]c3ccccc23)c1 2331071696 DNBSVEGAJCUXRS-UHFFFAOYSA-N 429.593 6.208 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1cccc(Cl)c1 2331124097 PXLJGDUUUJVQPS-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)c1ccccc1F 2331214820 LKSCBMSPMJECBT-UHFFFAOYSA-N 438.882 6.220 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccccc2CC)n1N=Cc1ccc(CC)cc1 2331323011 SWUSEWGWDQLGJL-UHFFFAOYSA-N 449.624 5.359 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc3ccccc23)cc([N+](=O)[O-])c1OC(=O)C(C)(C)C 2331478419 HQZRDUDKCLSUCJ-UHFFFAOYSA-N 447.487 5.994 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 2331535499 PIZIKESFVVEDOZ-UHFFFAOYSA-N 449.434 5.556 30 10 IKEE COc1cc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CCC2)ccc1O 2331539301 LFIQNJUWKVSIAA-UHFFFAOYSA-N 428.945 5.088 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2ccc(Cl)cc2Cl)nnc1C1CCC1 2331541884 METPHCJLUXVNDS-UHFFFAOYSA-N 431.392 6.335 30 10 IKEE COc1ccc(C(=O)Oc2c(OC)cc(C=CC(=O)c3ccc(C)c(C)c3)cc2OC)cc1 2331705213 PSPUHZZESPZKSS-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3[N+](=O)[O-])c(Cl)c2)cc1C 2331706302 ZGJSFJGJZSIYJW-UHFFFAOYSA-N 435.863 5.980 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Cl)cc(Br)c1F 2337111382 KZGDKMKYNQEGAC-WBVHZDCISA-N 449.792 5.752 30 10 IKEE Cc1cc(CNc2ccccc2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2343661260 HCCRVUMXVHEIOZ-UHFFFAOYSA-N 438.377 5.253 30 10 IKEE C=CCSc1nc2ccc(/N=C/c3ccc(I)cc3)cc2s1 3661772 IYAPQQYRZBAOHS-YBFXNURJSA-N 436.343 5.930 30 10 IKEE Cc1ccc(C)n1-c1ccc(C(=O)/C=C\Nc2ccc(I)cc2)cc1 8857318 UDKKWGSHBMNHJN-YPKPFQOOSA-N 442.300 5.507 30 10 IKEE CCc1ccc([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 10013695 WYWPCRNZUDUEQG-DEOSSOPVSA-N 432.539 5.631 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 10013696 WYWPCRNZUDUEQG-XMMPIXPASA-N 432.539 5.631 30 10 IKEE C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccccc2)nnc1-c1ccc(Cl)cc1 20168987 ZRQSKCUFNSLSCD-HZPDHXFCSA-N 426.973 5.143 30 10 IKEE COc1ccccc1/C=C/C=C1/Oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc2C1=O 33740234 HDOVEDWCWCGTCC-NDNSOUFHSA-N 429.428 5.355 30 10 IKEE C=CCc1ccccc1OCCn1c([C@H](C)NC(=O)Cc2ccccc2)nc2ccccc21 40194411 QIFWUWRHEZVATP-NRFANRHFSA-N 439.559 5.264 30 10 IKEE CC(=O)C1=C(C)Nc2nc(SCc3ccccc3F)nn2[C@@H]1c1c[nH]c2ccccc12 54643114 KRCDQCXEEXSZPW-OAQYLSRUSA-N 433.512 5.069 30 10 IKEE C=C(C)COc1cccc(NCC(=O)Nc2cccc(OCCCc3ccccc3)c2)c1 66063065 NDEUQONYILLPJK-UHFFFAOYSA-N 430.548 5.704 30 10 IKEE O=C1/C(=C\c2cccc([N+](=O)[O-])c2)S/C(=N/Cc2ccccc2)N1Cc1ccccc1 83312585 LYFALZGRIMQGOA-UQRBVYKBSA-N 429.501 5.268 30 10 IKEE CCCCCCCOc1ccc([C@H]2Nc3ccccc3C(=O)N2CCc2ccccc2)cc1 100139734 GBVBCHVEBWNFIB-NDEPHWFRSA-N 442.603 6.845 30 10 IKEE COc1cc(Br)cc(/C=N/c2cc(C(F)(F)F)ccc2N2CCCC2)c1O 100296775 LBEOHUZLADWFMD-BHGWPJFGSA-N 443.263 5.533 30 10 IKEE CCCCCCCn1c(CCCCCNC(=O)c2ccc(OC)cc2)nc2ccccc21 102170960 LRJBLMQZFCMPHD-UHFFFAOYSA-N 435.612 6.158 30 10 IKEE O=C1C(=O)N(Cc2ccco2)[C@H](c2ccccc2Cl)/C1=C(/O)c1ccc(Cl)cc1 102602111 WFFZWQJUYCGRDV-LAFOYAEKSA-N 428.271 5.208 30 10 IKEE O=C(/C=C\c1ccccc1)Oc1ccc2c(c1)O/C(=C/c1ccc(-c3ccccc3)cc1)C2=O 102728447 XNCYFTINFGSUNZ-ARVZOMLVSA-N 444.486 6.589 30 10 IKEE CCCCCCCCOc1ccc(N/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)cc1 103368750 IYVGOXPHYUNJJL-OQKWZONESA-N 426.944 6.336 30 10 IKEE N#Cc1ccccc1-c1ccccc1C(=O)N[C@@H]1CCOc2ccc(Br)cc21 108808075 GVPWRPOTQLHIEQ-OAQYLSRUSA-N 433.305 5.241 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccc(OC)cc2)cc1 169923385 WKANAPHEUCUIFH-DEOSSOPVSA-N 445.490 5.488 30 10 IKEE CCCCCCCCCOc1ccc([C@@H]2NN=C3CCN(C)C[C@@H]32)cc1Br 169941852 GTNZMTSSBRPWOG-AVRDEDQJSA-N 436.438 5.531 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(O)cc2)cc1 169959370 FDXDIBNAUVNVPJ-QFIPXVFZSA-N 433.891 5.391 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]2c2ccncc2)cc1C 170021810 XICDUIYAKDJBND-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccc(C)cc2)cc1 170029683 XEWVLHKNYBVECF-NRFANRHFSA-N 448.544 5.250 30 10 IKEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2)cc1 170055644 KLSBDLZUVMXORQ-DEOSSOPVSA-N 427.500 5.172 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1 170066011 RQBTXBWDLJGIJE-XMMPIXPASA-N 435.564 5.376 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccccc2F)cc1C 170069844 REPGTARJQMMIBC-XMMPIXPASA-N 440.474 5.707 30 10 IKEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@@H]1c1ccccc1F)c1cccc(Cl)c1 170072787 UZMQASJUJKAKEW-HXUWFJFHSA-N 447.853 5.138 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1c[nH]c2ccccc12)c1cc2ccccc2o1 170076682 XZOTZWLGESBCGH-HSZRJFAPSA-N 438.439 5.286 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccccc1C 170087629 FNAROVFTBHEOQS-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)[C@H]2c2ccco2)cc1 170095028 HXRFYSNYSBAFRF-QHCPKHFHSA-N 447.487 5.248 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)[C@@H]2c2ccco2)cc1C 170095095 UXZKQGOJLLGIET-HSZRJFAPSA-N 447.487 5.167 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2sccc2C)cc1C 170106208 MNZACBNLNPDUHF-FQEVSTJZSA-N 437.948 6.110 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccc(C)c2)cc1OC 170142023 WXUSBDPTXCYYIW-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2Cc2ccco2)c1 170143957 IRBDAJNWYBKRCJ-HSZRJFAPSA-N 431.488 5.154 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2cccs2)cc1 170157608 NYAGNEFRVALUQV-QFIPXVFZSA-N 449.528 5.327 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccccn2)c1 170170141 DIDCOHCWUHXKIR-VWLOTQADSA-N 438.527 5.360 30 10 IKEE Cc1ccc(-c2csc(C3=C(N)N(Cc4ccc(OC(C)(C)C)cc4)CC3=O)n2)cc1 170179914 LMFDILCTWNYJGY-UHFFFAOYSA-N 433.577 5.008 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccc(Cl)cc1 170236446 DGGYVWATNAGOMA-NRFANRHFSA-N 427.928 5.363 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1cccc(O)c1)c1ccc2ccccc2c1 170257909 BMKPUSUASPJYBT-DEOSSOPVSA-N 439.442 5.467 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2C)cc1C 170272298 CIGXVUANHQCCSJ-XMMPIXPASA-N 427.500 5.403 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccccc1C 170275352 NUCLVFRIJHBICX-QHCPKHFHSA-N 433.548 5.531 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1cc(Cl)cc(Cl)c1 170397835 OIHNBLRMYICEBF-OAQYLSRUSA-N 438.310 6.085 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc3c(c2)OCCO3)[C@H]1c1ccc(C(C)(C)C)cc1 170467559 OFAAFWVOYPXEBU-DEOSSOPVSA-N 449.547 5.271 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2nc3cc(F)ccc3[nH]2)[C@H]1c1ccc(C(C)(C)C)cc1 170472455 MAXUZIHRJVUOEG-FQEVSTJZSA-N 449.526 5.515 30 10 IKEE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(Cl)cc2)c1 526523657 ZZQRVKCDVHPBGA-HSZRJFAPSA-N 446.890 5.286 30 10 IKEE CC(C)COc1ccc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526605966 HMPKJFNTGMODHS-HSZRJFAPSA-N 430.529 5.712 30 10 IKEE CCCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccc(C)cc2C)cc1OC 526811082 AVYALNBHPMZKRO-MYYYXRDXSA-N 438.597 5.429 30 10 IKEE CCn1c(C)c(/C=N\n2c(C)nnc2SCc2cccc3ccccc23)c2ccccc21 526821422 RSHXAQSCRCZBJN-YUMHPJSZSA-N 439.588 6.197 30 10 IKEE CCCCCCCCC[C@H](O)c1cc(NC(=O)OC(C)(C)C)ccc1Br 696117571 XWOHXTMVUMVHJW-IBGZPJMESA-N 428.411 6.970 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@](C)(C#N)CCc1ccccc1 698448056 VUCWMEQFQZHXTL-JOCHJYFZSA-N 429.358 6.106 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@@H](C#N)c1cccc(OCc2ccccc2)c1 698866520 AAFDPDRJXNYVLH-DEOSSOPVSA-N 448.950 6.925 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C#N)(N(C(=O)OC(C)(C)C)C1CCCCCC1)C2 709429921 OWWDBVREEFQMRO-PMACEKPBSA-N 447.620 5.771 30 10 IKEE CC[C@@](C#N)(C1CN(C(=O)OC(C)(C)C)C1)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 716132976 CWIYPFLFUVOBKI-HSZRJFAPSA-N 433.524 5.106 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CC[C@H]2COCC[C@@H]2C1 723660607 ATTJTFNDUVHDKR-VWKPWSFCSA-N 435.362 5.290 30 10 IKEE Cc1ccc(-c2nc(N=Cc3ccccc3Cl)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 1084015469 MOPOXXVIEYLWFN-UHFFFAOYSA-N 447.947 7.406 30 10 IKEE CCOC(=O)c1ccccc1Oc1ccc(C(F)(F)F)cc1N=Cc1ccccc1O 1084090501 XHEDIQRJRMJXAJ-UHFFFAOYSA-N 429.394 6.131 30 10 IKEE COc1ccc(O)c(C=Nc2cc(C(F)(F)F)ccc2Oc2ccc(C(C)(C)C)cc2)c1 1084188385 LFYFUYMVVYWOKR-UHFFFAOYSA-N 443.465 7.260 30 10 IKEE Cc1ccc(N=Cc2ccc(Cl)cc2Cl)cc1N=Cc1ccc(Cl)cc1Cl 1084342496 KELFTGPZQBEERX-UHFFFAOYSA-N 436.169 8.110 30 10 IKEE C=CCCCn1c([C@H](CC)c2ccccc2)nnc1N(C)Cc1nc(O)c2sccc2n1 1507942021 AZVJFGYBQOZSCV-GOSISDBHSA-N 448.596 5.133 30 10 IKEE Cc1csc(N=C2S/C(=C\c3cccc4ccccc34)C(=O)N2c2ccccc2)n1 1772740571 ZHUGPOSFXKDVJT-UDYULTBOSA-N 427.554 6.413 30 10 IKEE C/C(C=NN=C1S/C(=C\c2ccccc2O)C(=O)N1Cc1ccco1)=C/c1ccccc1 1772758845 FUFQHHQTFBJBSE-ZXESJXJZSA-N 443.528 5.547 30 10 IKEE CC(C)(C)c1ccccc1NC(=O)c1nc(C(=O)Nc2cccc(C#N)c2)c2ccccn12 1858241881 JJSQITDGWLZSCL-UHFFFAOYSA-N 437.503 5.008 30 10 IKEE CCOC(=O)c1sc(NC(=O)c2cc(C(C)(C)C)nc3c(C)cccc23)c(C#N)c1C 1859643474 FVKDBSWUWNETDA-UHFFFAOYSA-N 435.549 5.511 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 1860729737 OLNPVVDFUMTKLH-FMIVXFBMSA-N 436.851 5.048 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)c1ccccc1OCC 1861356420 XFTWAWZFKFOFGQ-OAQYLSRUSA-N 436.662 5.194 30 10 IKEE CCCCCCCCNC(=O)[C@H](NC(=O)c1ccc2nc(C)c(C)nc2c1)c1ccccc1 1861401620 QYWLUOIKJCJHIX-RUZDIDTESA-N 446.595 5.194 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)/C=C/c1ccc(Cl)c(Cl)c1 1861571535 XMTIEOONCJSOBB-UACNQURRSA-N 441.443 6.158 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(O)cc1)c1ccc(Cl)cc1Cl 1862381547 CDTUHKOYRLPGQH-HXUWFJFHSA-N 446.330 5.610 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(C(C)C)cc1 1862415482 YCTJUKAPYFXKRV-HSZRJFAPSA-N 441.518 6.247 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cccc2ccccc12)c1ccccc1Cl 1862434858 IPLJFMPETDLWHG-DEOSSOPVSA-N 445.946 6.404 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CCCC2)cc1 1862435515 XMYICFHRFVHOGE-QFIPXVFZSA-N 437.967 6.158 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CC(C)C)cc1 1862440339 WDCXIXPFLAASAC-JOCHJYFZSA-N 441.955 5.753 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2C2CC2)cc1OC 1862541353 JYTMGYOFKHRIQW-XMMPIXPASA-N 449.547 5.177 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(C(F)(F)F)cc1 1862562527 HWWZNGQNHCOCOR-LJQANCHMSA-N 432.442 5.056 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@@H]1c1ccc2cc[nH]c2c1)c1cccc(O)c1 1862594529 FMXGVQPWVWWLSY-XMMPIXPASA-N 444.531 5.565 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CC(C)C)c1 1862618251 AVZUVXVKNQXWIT-QHCPKHFHSA-N 435.564 5.617 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2cccc(C)c2)cc1 1862649204 SEQKBAIRVZTXCA-HHHXNRCGSA-N 447.534 6.235 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1ccc(Br)cc1)c1cccc2ccccc12 1862657058 UHBHKWXNAKRDSK-NRFANRHFSA-N 448.316 5.343 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 1862663409 RDHADSXIRFZXSX-LADGPHEKSA-N 433.548 5.130 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCCc3ccccc3)[C@@H]2c2ccccc2)c1 1862699372 UCPZSMZKFBFNKY-RUZDIDTESA-N 441.527 5.296 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(O)cc1 1862713720 UXQLANXHUFSQBT-HGMMTPDKSA-N 441.527 5.702 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1cccc(F)c1)c1ccc2ccccc2c1 1862714934 HXVRDPPYZLDTJP-HSZRJFAPSA-N 443.499 5.819 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(C(C)C)cc1 1862726618 KUKNKMWPEDCVEC-AREMUKBSSA-N 439.555 6.465 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 1862736421 JRMKFVNFIZEKJF-KNQAVFIVSA-N 436.508 5.532 30 10 IKEE N#Cc1ccccc1N1C(=O)C(Nc2ccccc2Cl)=C(c2cccc3ccccc23)C1=O 1862853219 QYAYRYITWINAKM-UHFFFAOYSA-N 449.897 5.761 30 10 IKEE Cc1c(Cl)cccc1NC1=C(c2ccc(F)cc2F)C(=O)N(c2ccccc2C#N)C1=O 1862954065 ZTGIKESUDZYVKR-UHFFFAOYSA-N 449.844 5.195 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CC(=O)O)c1ccccc1 1866029667 AJHZHUXJHFNNGR-VWLOTQADSA-N 431.661 7.580 30 10 IKEE CCC[C@@H](NC(=O)C[C@@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866737171 AWPDRFBBXNDZMB-JWQCQUIFSA-N 433.596 5.735 30 10 IKEE C[C@H](CC(=O)N[C@H](C(=O)Nc1ccccc1C#N)c1ccccc1)c1cccc(Cl)c1 1867187130 ILPJEZZNMYASLJ-OSPHWJPCSA-N 431.923 5.201 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC[C@H](C(=O)CCCc3ccccc3)C2)nc(CC)n1 1869142067 XGLNXNHRRGRWHS-QHCPKHFHSA-N 432.612 5.026 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)cc2Cl)c(=O)cc1CSc1ccc(C)cc1 1870232295 LQXBUJKUWCUEPF-UHFFFAOYSA-N 446.399 6.521 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCCC)c(=O)cc1CN1C[C@H](C)C[C@@H](C)C1 1870331146 YNNHZFJRPLQHNH-FGZHOGPDSA-N 448.648 5.019 30 10 IKEE CCCCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CN1C[C@H](C)O[C@H](C)C1 1870353369 VOCIVJUERXZDRP-PSWAGMNNSA-N 448.692 6.023 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccccc2C)cn1CCC1=CCCCC1 1870630453 AYNXCECENJUJCX-UHFFFAOYSA-N 432.608 5.800 30 10 IKEE CCCCCCCOc1cn(CCC(C)C)c(CNc2ccc(F)c(Cl)c2)cc1=O 1870833173 BFCBTBBAEJYJDA-UHFFFAOYSA-N 436.999 6.648 30 10 IKEE C=CCn1cc(OCCCOc2ccc(CC)cc2)c(=O)cc1CNc1cccc(OC)c1 1870880812 CMOORBBWLCBKBI-UHFFFAOYSA-N 448.563 5.065 30 10 IKEE CCCCCCCCn1cc(OCCC)c(=O)cc1CNc1ccc(CCCC)cc1 1871105525 RIKWVIFSPHEUKL-UHFFFAOYSA-N 426.645 6.952 30 10 IKEE C=CCn1cc(OCc2ccccc2F)c(=O)cc1CNc1ccc(OCCCC)cc1 1871245003 SMKQKPLNJMRAQX-UHFFFAOYSA-N 436.527 5.543 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)cc2Cl)c(=O)cc1CNc1ccc(CC)cc1 1871249527 WKKGHWSKZIIEHD-UHFFFAOYSA-N 443.374 6.095 30 10 IKEE CCCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1cc(C)cc(C)c1 1871252832 QPPPZJVRTASPFP-UHFFFAOYSA-N 443.591 6.108 30 10 IKEE CCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CNc1ccccc1C(C)C 1871258406 SMMDFPUJZKJZIV-UHFFFAOYSA-N 440.672 7.369 30 10 IKEE COc1cccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccccc2F)C4)c1 1871347095 XSXNWMXMSKMNRE-FMCGGJTJSA-N 431.463 5.111 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1c(F)cccc1Cl)O3)CN([C@H]1CCCC[C@@H]1C)CO2 1871351115 KSFAAOLTXYFSRA-FYGHONKPSA-N 441.930 6.134 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc(C)cc4)ccc3C2=O)cc1 1871367033 UXTXOENQEJAMJK-FUPWBYONSA-N 426.468 5.629 30 10 IKEE Cc1cc(OC(=O)c2ccc(F)c(F)c2F)cc2c1C(=O)/C(=C/c1cccc(Cl)c1)O2 1871370457 MRTPLDMFIWIUHD-NVMNQCDNSA-N 444.792 5.901 30 10 IKEE CCCOc1ccccc1/C=C/C(=O)Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O 1871376191 XZFXYTSCKSLVER-SWBSAEBCSA-N 432.497 5.772 30 10 IKEE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871376950 MUXFHNPBACMDJN-XTARUNKESA-N 446.886 5.892 30 10 IKEE C=CCN(CC=C)Cc1c(O)cc(C)c2c1O/C(=C\c1ccccc1Br)C2=O 1871393518 RLBXQQWHMDDCNX-MOSHPQCFSA-N 440.337 5.253 30 10 IKEE Cc1c(O[C@H](C)C(=O)Nc2ccc(F)cc2)ccc2c1O/C(=C\C=C\c1ccccc1)C2=O 1871401284 YVUUQWVUYJFNPS-OIVUOPBZSA-N 443.474 5.713 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4c(C)cc(C)cc4C)ccc3C2=O)c1 1871402285 HFORJPZPLQUKQN-FQOPDIHJSA-N 441.527 5.942 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCCCOc4ccc(C)cc4)ccc3C2=O)c1OC 1871404724 CYUQVOCAFKMLQC-XYGWBWBKSA-N 446.499 5.476 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(O[C@H](C)C(=O)Nc3ccccc3C)cc(C)c2C1=O 1871409360 MLIXONXYEFVFRQ-YNJLWJOVSA-N 443.499 5.334 30 10 IKEE CCOC(COc1cc(C)c2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O)OCC 1871415916 AQWHRMQVKPNTEF-GRSHGNNSSA-N 437.319 5.696 30 10 IKEE CCOC(COc1cc(C)c2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O)OCC 1871416394 ZZDMAPKWRNNJGL-ODLFYWEKSA-N 447.325 5.152 30 10 IKEE CCOc1ccccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1cccc(F)c1)C2=O 1871417568 FBDULHJJBZKNOI-UCQKPKSFSA-N 447.462 5.167 30 10 IKEE CC(=O)c1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871420544 CJBLLENJFXZIJO-FMCGGJTJSA-N 447.874 5.176 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OCc4cccc(C)c4)c3C)C2=O)c(OC)c1OC 1871454940 BRPKZKRDQICGCK-UCQKPKSFSA-N 446.499 5.524 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1cc(C)ccc1C 1871876852 MYTSDGRHBYBEIS-NRFANRHFSA-N 449.016 5.331 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)[C@H](C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1872760390 NETFNBKXPDQESK-LBPRGKRZSA-N 448.287 5.524 30 10 IKEE CCc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc1 1872761417 MVSBRXUSKHJDKS-IBGZPJMESA-N 446.532 5.371 30 10 IKEE COc1cccc(-c2csc([C@@H](C#N)C(=O)/C(=C\c3ccccc3)c3ccccc3)n2)c1 1872762519 PAOQNEPKXQIUFS-HKPSVDRMSA-N 436.536 6.236 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(C)cc3C(C)(C)C)n2)cc1C 1872765498 QLBQPIXTKSUHMN-LJQANCHMSA-N 448.588 5.988 30 10 IKEE CCCc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3cc(OC)ccc3OC)cs2)cc1 1872771655 YYRQVEKKBZGJFY-FQEVSTJZSA-N 436.533 5.035 30 10 IKEE Cc1cc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)ccc1Cl 1872773538 PZXCDNVBDYAEJS-LJQANCHMSA-N 438.980 6.325 30 10 IKEE COc1c(Cl)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)c2ccc3cc[nH]c3c2)n1 1872778248 HFEGIYMUEHBIDI-OAHLLOKOSA-N 442.327 6.097 30 10 IKEE C=C(C)CSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1cccs1 1874206161 NDTBNHREYJWKIE-ZVBGSRNCSA-N 439.393 5.776 30 10 IKEE CCCOc1ccccc1/C=N/n1c(COc2ccccc2Cl)nnc1SCC 1874266922 BKCMUGCWQVDVPL-OEAKJJBVSA-N 430.961 5.294 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccccc3)n2/N=C/c2ccc(O)cc2)CC1 1874288049 LFVIBYKHSCBFHR-OVVQPSECSA-N 448.636 6.622 30 10 IKEE Fc1ccccc1/C=N/n1c(COCc2ccccc2)nnc1SCc1ccccc1 1874355573 QNTVMBBHUFJGPN-CVKSISIWSA-N 432.524 5.309 30 10 IKEE C=C(C)CSc1nnc(COCc2ccccc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874355628 TWEZPMKTPOGATJ-BHGWPJFGSA-N 447.391 5.852 30 10 IKEE CCCSc1nnc(CCc2cccs2)n1/N=C/c1cccc(Br)c1 1874372386 WSWNAOIAZPLZDS-DEDYPNTBSA-N 435.416 5.272 30 10 IKEE CC(C)c1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccccc2)cc1 1874402932 QBDTWDSDCPLTHP-TURZUDJPSA-N 440.616 6.361 30 10 IKEE CCCNC(=O)CSc1nnc(CC2CCCCC2)n1/N=C/c1ccc(C(C)C)cc1 1874407037 BNLMIHDJGTUONG-WGOQTCKBSA-N 441.645 5.025 30 10 IKEE Fc1cccc(/C=N/n2c(Cc3cccs3)nnc2SCc2ccccc2F)c1 1874412156 FOISHGJZTKRUSC-ZMOGYAJESA-N 426.517 5.383 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2-c2ccccc2)cc1 1874428444 JJDDHECQJUQBBD-WPWMEQJKSA-N 442.588 6.135 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc3ccccc23)n1/N=C/c1cccc(Cl)c1 1874440031 FYIPPTLTDQPFSJ-JVWAILMASA-N 449.023 6.848 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(SCCc2ccccc2)nnc1[C@@H]1CCCO1 1874445583 FYLDVBFPPJMRBY-ALAMRGAJSA-N 436.581 5.134 30 10 IKEE Fc1cccc(CSc2nnc(C3CCCC3)n2/N=C/c2ccc(Cl)cc2Cl)c1 1874454385 GJIMOWLCZLBTEM-BRJLIKDPSA-N 449.382 6.556 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3ccccc3C)nnc2C(F)(F)F)cc1 1874458273 DYKRPSVOEWMQDY-DHRITJCHSA-N 434.487 5.569 30 10 IKEE Oc1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccco1 1874468341 DGHXOQCLAKCLHL-FOKLQQMPSA-N 445.331 5.725 30 10 IKEE COCCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874472291 WTAMOOXMKNAONY-FOKLQQMPSA-N 439.343 5.087 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874478186 SSVHTTLSMGEBLZ-LGJNPRDNSA-N 436.478 5.953 30 10 IKEE CCCCc1nnc(SCCC)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874479343 WHVAVZRAOHJDCI-PCLIKHOPSA-N 443.016 6.237 30 10 IKEE COc1cccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C(C)(C)C)c1 1874485182 IJBVRTCUJAOJOB-WGOQTCKBSA-N 430.577 5.912 30 10 IKEE Cc1cccc(CSc2nnc(C3CCC3)n2/N=C/c2cccc(Br)c2)c1 1874494339 XDCJDHJHVXBMFN-YDZHTSKRSA-N 441.398 5.791 30 10 IKEE COCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(Cl)cc1Cl 1874500346 OABWYWKPHTWWSI-LSFURLLWSA-N 425.316 5.045 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874510444 OAHMYMADQPKSQV-BRJLIKDPSA-N 438.906 6.077 30 10 IKEE O=C(/C=C/c1cc(Br)ccc1OCc1cccc(F)c1)c1ccccc1Cl 1874574862 JQPSDPOSBTUSBW-CSKARUKUSA-N 445.715 6.717 30 10 IKEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1ccccc1Cl)Nc1nccs1 1874575075 UHILHWULMXQTAS-FNORWQNLSA-N 433.316 5.364 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c(C)c1C 1874628127 NCFYQFNRCCULAS-MKMNVTDBSA-N 433.479 5.365 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3cc(Cl)ccc3Cl)c2)cc1 1874702734 HCVLOQMYTRAKIN-KPKJPENVSA-N 425.311 6.346 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1cccc(/C=C/C(=O)c2cccc3ccccc23)c1 1874707892 BQBDIRWSGCRAGA-GHRIWEEISA-N 440.926 6.928 30 10 IKEE Cc1cc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(C(C)C)cc3)c2)ccc1[N+](=O)[O-] 1874709838 LARFJMSBJOMBAW-VGOFMYFVSA-N 429.472 6.142 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1OC(=O)Cc1ccc(C)cc1 1874712485 GDJZCIKLQSIBSD-JLHYYAGUSA-N 444.527 5.673 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1OC(=O)c1sccc1C 1874715957 UVNLQZXCDQDIJW-DHZHZOJOSA-N 448.584 6.786 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccccc2OC)CSc2nnc(CCCC)n21 1874897170 MANYIIDTSSCMNK-HXUWFJFHSA-N 444.645 5.692 30 10 IKEE CCCCCCCCC(=O)N1[C@H](C)CSc2nnc(COc3cccc(C)c3C)n21 1875026765 CVSZWHQSHCQARC-GOSISDBHSA-N 430.618 5.183 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(Cl)c1OC(=O)C1CCC1 1875097211 AAXDTFBXVCLGFB-JLHYYAGUSA-N 438.951 6.219 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3F)c([N+](=O)[O-])c2)cc1 1875100542 GMJJTIBAGIOTON-VZUCSPMQSA-N 437.398 5.551 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3cccc(OC)c3)cc2Cl)cc1 1875103065 WDZZYIRUJIWSKM-SDNWHVSQSA-N 448.946 6.345 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2Br)cc1)c1ccc(F)cc1F 1875120428 SXHWRSQDMKOIGM-KPKJPENVSA-N 443.243 5.843 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)c1ccc(F)cc1 1875123381 JFYMFEGMSHWDPK-BJMVGYQFSA-N 445.273 6.256 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)[C@H](C)c1ccccc1 1875141014 JANCHHRBXLXABD-LVMGUKCRSA-N 448.490 5.757 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)CCOc1ccccc1 1875157403 WSKFKYLOPFNLBV-OQLLNIDSSA-N 444.527 6.089 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)Cc1cccs1 1875175631 YYTVACCTVNRAEE-CSKARUKUSA-N 436.529 5.426 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccccn2)c(Cl)c1 1875184456 XNHQEKYVOLJUCW-FMIVXFBMSA-N 433.935 6.456 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3c(C)cc(C)cc3C)cc2OC)cc1 1875184488 DDYDMEIIAJRFRO-XYOKQWHBSA-N 444.527 5.673 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cncc(C)c3)c(OC)c2)cc1Cl 1875186286 NLXKVJMWPHFOSJ-QPJJXVBHSA-N 437.879 5.176 30 10 IKEE CCCN[C@@H](C#Cc1nccs1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 1900754498 OZSWCEIRRGGWFL-OAQYLSRUSA-N 427.614 5.080 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1943898054 ZWAPEBAQZQUXJN-MBSDFSHPSA-N 449.979 5.811 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)CCC[C@@H]2C[C@@H]21 1949680984 QMWAXFCRISIQMR-QTZVNIFKSA-N 428.617 5.211 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@H](NC(=O)OC(C)(C)C)C(C)C 2028028073 RDUFOVXZLARSKG-NTKDMRAZSA-N 447.576 5.268 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 2032044951 QFUQYFRQWWHSDA-CEYNDMKZSA-N 441.572 5.276 30 10 IKEE CC(C)(C)OC(=O)NCC[C@@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 2037234580 ZCYYQGBHFSYPDJ-XDHUDOTRSA-N 447.551 5.544 30 10 IKEE CC(C)(C)OC(=O)N(CCN=[N+]=[N-])C1(C#N)CCC2(CCCN2C(=O)OC(C)(C)C)CC1 2048950832 PODNJAXHRBGPFD-UHFFFAOYSA-N 448.568 5.140 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)NCCC 2069864765 MYQUOYXXIRKFCA-VDKIKQQVSA-N 444.660 5.849 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C12CCCC2 2072184810 IHHFCLVFNUSKJK-DEOSSOPVSA-N 445.535 5.393 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Cl)cc1Br 2077807673 XQPQDKOEIBDLHC-IRXDYDNUSA-N 431.802 5.613 30 10 IKEE Cc1ccc([C@H](C(C)C)n2nc(C3CCC3)c(C#N)c2I)cc1C 2079127141 KBOUVHGOOIKVLB-IBGZPJMESA-N 433.337 5.489 30 10 IKEE CC[C@H](c1ccc(C(C)C)cc1)n1nc(C(F)F)c(C=NO)c1I 2080002557 ZHFOIUOUBSILQY-CQSZACIVSA-N 447.267 5.356 30 10 IKEE CCc1cc(Br)c([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)s1 2089744615 ZNVOQLSCLKCDJQ-INIZCTEOSA-N 439.350 6.218 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](Nc2ccc(C#N)c(Br)c2)Cc2ccccc21 2162387576 OVDRILLLUUHLNX-QGZVFWFLSA-N 428.330 5.099 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](Cc2ccc(Br)c(F)c2)NCCC)C1 2197753569 NLPUCPPGJHKWLA-GOSISDBHSA-N 441.385 5.112 30 10 IKEE C=CCC[C@](C)(CO)N(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(F)cc1 2211062835 BSNPBBGFFSUYCD-MUUNZHRXSA-N 445.534 6.298 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(F)c([C@@H](N)C#Cc2ccccc2Br)c1F 2235735133 SPLWNUSRQJYIRZ-HNNXBMFYSA-N 437.284 5.126 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C(=O)C#Cc2ccccc2Cl)cc1Br 2277867988 OTIDDEHEOCRWLE-UHFFFAOYSA-N 434.717 5.684 30 10 IKEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)Nc1ccc(OCc2ccccc2)cc1 2282118435 DQFGXNRHEOTJLA-UHFFFAOYSA-N 443.352 5.126 30 10 IKEE COc1cc(C=C2SC(=Nc3ccc(C)c(C)c3)N(C)C2=O)cc(Br)c1O 2293740343 LFYPMABEPJLQPM-UHFFFAOYSA-N 447.354 5.014 30 10 IKEE C=CCN=CC1=C(Sc2ccccc2)c2sc(NC(C)=O)c(C(=O)OCC)c2CC1 2295126521 JXPDJVCCSVRKKS-UHFFFAOYSA-N 440.590 5.590 30 10 IKEE CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H]([C@H](C)[N+](=O)[O-])[C@H](C(C)=NO)[C@@]4(C)CC[C@@H]32)C1 2297623944 VOETZVYTDQTIBX-DYENNYBESA-N 446.588 5.239 30 10 IKEE O=C1C(=Cc2cccc(Cl)c2Cl)Oc2cc(OCc3cccc(Cl)c3)ccc21 2314437855 YLKDMMDNENNAJH-UHFFFAOYSA-N 431.702 6.842 30 10 IKEE C=CCN(CC[C@@H](NCCC)c1cccc(OCc2ccccc2)c1)C(=O)OC(C)(C)C 2314473705 XULFLNRLESZNES-RUZDIDTESA-N 438.612 6.120 30 10 IKEE CSC1(C#C[C@H](O)c2cc(NC(=O)OC(C)(C)C)ccc2Br)CCC1 2314651683 HVMJNDIVLQBPCH-INIZCTEOSA-N 426.376 5.119 30 10 IKEE C=CCC(CC=C)[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NC 2316681530 UHPQPRDUISMBQJ-DEOSSOPVSA-N 441.660 5.292 30 10 IKEE CCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(Br)cc1 2318574983 XERNZUOHCKYEJQ-UHFFFAOYSA-N 435.778 5.431 30 10 IKEE CCCCc1nnc(S)n1N=Cc1ccc(OC)c(OCc2cccc(Cl)c2)c1 2321734036 KGYGERSEIVVJCY-UHFFFAOYSA-N 430.961 5.033 30 10 IKEE FC(F)(F)c1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc2nccnc2c1 2321784386 BKDUXKZGJREQAD-UHFFFAOYSA-N 448.861 5.068 30 10 IKEE Cc1cc(OCC=Cc2ccccc2)cc2c1C(=O)C(=Cc1c(Cl)cccc1Cl)O2 2321817780 GOYBLINXRLQFOZ-UHFFFAOYSA-N 437.322 7.010 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccco1)O3)CN(Cc1ccc(OC(C)(C)C)cc1)CO2 2321908294 AYAXXFAQDLLLDY-UHFFFAOYSA-N 445.515 5.734 30 10 IKEE Cc1ccc(Cc2nnc(S)n2N=Cc2cccc(OCc3ccccc3)c2)cc1C 2321998488 BRPWOQCBJXWZPW-UHFFFAOYSA-N 428.561 5.236 30 10 IKEE Sc1nnc(COc2ccccc2Cl)n1N=Cc1cccc(Oc2ccccc2)c1 2322141767 KZIIPEVSXLDZCU-UHFFFAOYSA-N 436.924 5.474 30 10 IKEE CCCOc1ccccc1C=Nn1c(S)nnc1COc1cc(Cl)ccc1Cl 2322256108 FIRLTYCWVAMEQV-UHFFFAOYSA-N 437.352 5.124 30 10 IKEE Fc1cccc(Cl)c1C=Nn1c(S)nnc1COc1ccc(Cl)cc1Cl 2322260140 FUXDRNCRMMLKIO-UHFFFAOYSA-N 431.707 5.127 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(C(C)(C)C)cc1)C3=O)CN(CCCCN(C)C)CO2 2322383934 LRVPMBYMIGWYMW-UHFFFAOYSA-N 448.607 5.402 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccccc1Cl)C3=O)CN(CCCc1ccccc1)CO2 2322427121 APFGTRRDLXXXTO-UHFFFAOYSA-N 445.946 6.049 30 10 IKEE N#Cc1cnn(-c2ccc3ccccc3n2)c1NC(=O)C=Cc1ccc(Cl)c(Cl)c1 2322545693 RVXJHMKBTUAICU-UHFFFAOYSA-N 434.286 5.251 30 10 IKEE Cc1cc(OC(=O)c2ccc(Cl)c(Cl)c2)cc2c1C(=O)C(=Cc1cccnc1)O2 2323259356 RGLRAFQUEHLLKV-UHFFFAOYSA-N 426.255 5.532 30 10 IKEE Cc1c(OC(=O)C(Cl)=Cc2ccccc2)ccc2c1OC(=Cc1ccccc1F)C2=O 2323441377 HOFOFPLDGBVJQE-UHFFFAOYSA-N 434.850 5.936 30 10 IKEE CCCOC(=O)COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1Cl 2323512396 MKXGWRNMHHQKNF-UHFFFAOYSA-N 427.711 5.875 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)cc1 2323921309 DRAFKLXDXXSSLV-UHFFFAOYSA-N 443.543 6.006 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OCc1nc(O)c2ccccc2n1 2323960028 ARGLHTFCFOIJRV-UHFFFAOYSA-N 440.499 5.436 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc(Br)c1OC 2324288154 QVZNYAYIGJYMPI-UHFFFAOYSA-N 439.305 6.155 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1 2324376055 ZBFMDIGYABVLPS-QGZVFWFLSA-N 431.463 5.465 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccc(C)cc1 2324455448 UMLDUGVZKNCLSI-UHFFFAOYSA-N 443.543 5.924 30 10 IKEE C=C(C)COc1c(OCC)cc(C=CC(=O)c2cc(C)c(OC)cc2C)cc1[N+](=O)[O-] 2324640135 FRAKXZYFWBWWLQ-UHFFFAOYSA-N 425.481 5.470 30 10 IKEE COc1ccc(OCCOc2ccc3c(c2)OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)cc1 2324675575 VKOSWLDBPPMOJF-UHFFFAOYSA-N 444.527 6.067 30 10 IKEE Cc1cccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccccc2F)c1 2325448619 KOQZOBIUHDAYNZ-UHFFFAOYSA-N 430.552 5.685 30 10 IKEE CCc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(Cl)cc3Cl)c2)cc1 2325709935 ZBEUVCYVUJSCKY-UHFFFAOYSA-N 425.311 6.671 30 10 IKEE COc1ccccc1C(=O)C=Cc1cccc(OC(=O)c2ccccc2Br)c1 2325724100 DHVZUZZKFMNSRO-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE Cc1cc(C(=O)C=Cc2cccc(OC(=O)c3ccc(Cl)cc3Cl)c2)ccc1F 2325742170 WVDIKHKFVPSELO-UHFFFAOYSA-N 429.274 6.556 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2cccc(OC(=O)c3ccc(N(C)C)cc3)c2)c1C 2325756919 KPSPOUINYKEJIJ-UHFFFAOYSA-N 427.544 6.102 30 10 IKEE COc1ccc(C(=O)Oc2cc(C=CC(=O)c3c(C)cc(C)cc3C)ccc2OC)cc1 2325764158 PVXDLIAKQDASSB-UHFFFAOYSA-N 430.500 5.744 30 10 IKEE Cc1cccc(CSc2nnc(C)n2N=Cc2ccccc2OCc2ccccc2)c1 2326377400 DINQNMCYJBNXDF-UHFFFAOYSA-N 428.561 5.648 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1ccccc1OCCC 2328945506 VMDSPKLWMVOCKJ-UHFFFAOYSA-N 448.636 6.019 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3C)n2N=Cc2cccc(C)c2)cc1 2329465349 GBIGKARYGFMEKO-UHFFFAOYSA-N 440.616 6.163 30 10 IKEE Cc1cccc(C=Nn2c(SCc3ccccc3F)nnc2-c2ccccc2Cl)c1 2329576873 ZVRLGWUMWDFASF-UHFFFAOYSA-N 436.943 6.221 30 10 IKEE Cc1ccccc1C=Nn1c(SCCc2ccccc2)nnc1-c1ccccc1Cl 2329587308 YCQPCHNDSKVPOF-UHFFFAOYSA-N 432.980 6.124 30 10 IKEE Clc1ccccc1C=Nn1c(Cc2ccccc2)nnc1SCCc1ccccc1 2330498195 REHICKMIZNMXDQ-UHFFFAOYSA-N 432.980 5.739 30 10 IKEE Cc1ccc(CSc2nnc(-c3cccs3)n2N=Cc2ccc(F)cc2F)cc1 2330530219 VEMVHTBXYROCSM-UHFFFAOYSA-N 426.517 5.768 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)c(Cl)c2)cc1 2330961441 UGPLLQIQEXETCK-UHFFFAOYSA-N 448.946 6.761 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@H]3CCCO3)n2N=Cc2ccc(Cl)cc2)c1 2330965657 MRRUIWSAAZWBCD-HXUWFJFHSA-N 426.973 5.574 30 10 IKEE Clc1cccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2[C@H]2CCCO2)c1 2330994559 RXHOZORDLOGQFM-GOSISDBHSA-N 433.364 5.611 30 10 IKEE CCCSc1nnc(C2CCCC2)n1N=Cc1ccc(OCc2ccc(C)cc2)cc1 2331084097 FPNPFPMVMPZEHS-UHFFFAOYSA-N 434.609 6.207 30 10 IKEE FC(F)(F)c1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccccc1Cl 2331150620 ZPUZZHDAHVJJMK-UHFFFAOYSA-N 431.270 5.778 30 10 IKEE COc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2)c(C(C)(C)C)c1 2331162081 QPBPAYHONPGMPZ-UHFFFAOYSA-N 444.527 5.873 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccccc3C)nnc2-c2ccco2)cc1OC 2331177848 FKRYEVFGFFQCJD-UHFFFAOYSA-N 434.521 5.038 30 10 IKEE O=[N+]([O-])c1ccccc1C=Nn1c(SCc2ccc(Cl)cc2)nnc1-c1ccco1 2331229811 NUMFLTLXBPUGPQ-UHFFFAOYSA-N 439.884 5.274 30 10 IKEE O=C(COCc1ccccc1)Oc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1 2331240044 KBEYNCUVFMOXIA-UHFFFAOYSA-N 441.310 6.012 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)COc1c(C)ccc(C)c1C 2331293226 JSHVIJQQSNLVBK-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2Cl)cc1 2331319680 WRBHHSVGLBFIJQ-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccccc2C)n1N=Cc1ccc(Cl)cc1 2331327650 CFFVLXZPGQDYPV-UHFFFAOYSA-N 441.988 5.196 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(OC)ccc2OC)cc(OC)c1OC(=O)CC(C)C 2331393789 RIIAITRYQSYPHD-UHFFFAOYSA-N 438.520 5.289 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)c1ccccc1F 2331532016 JWSGKRJXJSTIIX-UHFFFAOYSA-N 442.845 6.132 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1C 2331644718 PNAYCQBAYBCEKL-UHFFFAOYSA-N 442.599 6.938 30 10 IKEE COc1cc(C(=O)C=Cc2ccc(OC(=O)C(C)(C)C)c(OC)c2)c(OC)cc1Cl 2331695026 DCMRSTAWADAVPQ-UHFFFAOYSA-N 432.900 5.213 30 10 IKEE COc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C(C)C)c(OC)c1 2331715356 QJPOECZWRPGZDE-UHFFFAOYSA-N 448.951 5.386 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2cc(Cl)ccc2OC)cc1 2331875088 KQXUYNXTALTQKW-UHFFFAOYSA-N 428.956 6.901 30 10 IKEE CC(C)C[C@H](COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339592412 PQCFLGSUQUCENZ-LJQANCHMSA-N 446.397 5.044 30 10 IKEE CC(C)[C@H](C)N(Cc1ccccc1)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(F)(F)F)n1 2339599030 JYVBKMUCFHLPSF-KRWDZBQOSA-N 448.338 5.451 30 10 IKEE CC[C@H](N[C@H]1CN(Cc2ccccc2)C(C)(C)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363835551 DXTCHXAGBWAASP-RPBOFIJWSA-N 448.460 5.080 30 10 IKEE CC(C)(C)OC(=O)Nc1nc2cc(Nc3cc(Br)cnc3C#N)ccc2s1 2382211673 PRRCSLQKGAEIGH-UHFFFAOYSA-N 446.330 5.416 30 10 IKEE COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C/C2=Cc4ccccc4O[C@H]2C)C3=O)c1 2160991 BWWIYKOHPQCDQA-MMDHUZEPSA-N 440.451 5.238 30 10 IKEE CC(=N/OC(=O)Nc1c(C)cc(C)cc1C)/C(C)=N\OC(=O)Nc1c(C)cc(C)cc1C 8427462 MHTREIHYARNRFW-RSSRHXQMSA-N 438.528 6.086 30 10 IKEE C=CCn1c(S[C@H](C)C(=O)O[C@@H](C)CC)nc2scc(-c3ccc(C)cc3)c2c1=O 8950558 HTUMQLXJGJFRMC-JKSUJKDBSA-N 442.606 5.442 30 10 IKEE CC(C)(C)c1ccc(Oc2ccc(/C=C/C(=O)c3ccc(Cl)s3)cc2[N+](=O)[O-])cc1 14360050 IDXBJYKPXRESGX-ONNFQVAWSA-N 441.936 7.296 30 10 IKEE COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2)c1 21238201 SKIMPLFTDAXXHF-XRHLQHRESA-N 426.516 5.683 30 10 IKEE CC(C)Oc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(O)c2)cc1 21249275 UFMKBAKFKLXUTR-MMTVBGGISA-N 440.543 6.159 30 10 IKEE O=C(/C=C\C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1)c1ccc(Br)cc1 33246757 SHRIWFBMSXEZQC-DHOHLHFPSA-N 431.333 6.196 30 10 IKEE C=C(C)C(=O)NCCc1nc2ccccc2n1CCCCOc1ccc([C@H](C)CC)cc1 35144692 UKACFJDHQQQQDP-OAQYLSRUSA-N 433.596 5.644 30 10 IKEE C=CCn1c(SCC(=O)C2C3CC4CC(C3)CC2C4)nnc1-c1ccc(Cl)cc1 59794896 KETKJUHXDPFXFX-UHFFFAOYSA-N 428.001 5.518 30 10 IKEE COc1ccc(CO/N=C(\C)c2cc(-c3ccc(F)cc3)n(-c3ccc(C)cc3)c2C)cc1 97629487 NTUVJUWCMMABBB-TWKHWXDSSA-N 442.534 6.850 30 10 IKEE CCCCCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N/c3ccccc3)S2)cc1 100172594 PFQBCXJTENJASF-TYGLDRHGSA-N 439.581 5.236 30 10 IKEE O=C(C[C@H]1S/C(=N/c2ccccc2)N(c2ccccc2)C1=O)Nc1cccc(Cl)c1 100404186 ZSWLOYHPSHLOFC-UAPGPWSHSA-N 435.936 5.505 30 10 IKEE CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N/c1ccc(OCC)cc1 102109309 VHOWKWWTWXMHIJ-VHPLVOQASA-N 439.606 5.860 30 10 IKEE CCCCCCCCCn1c(CCCNC(=O)COc2ccccc2)nc2ccccc21 102158789 PRSNMRVJVNWGKN-UHFFFAOYSA-N 435.612 5.915 30 10 IKEE CCCCCCCCC(=O)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1 102996009 UOUOFESPRJTXGB-HSZRJFAPSA-N 440.534 7.187 30 10 IKEE Cc1ccc2nc(-c3ccc(/N=C4/SCCCN4C(=O)C4CCCC4)cc3)sc2c1 105086180 RQAFYESHWVJJON-OCOZRVBESA-N 435.618 6.415 30 10 IKEE O=C1/C(=C\c2ccc(Cl)cc2)S/C(=N/c2ccccc2)N1[C@@H]1CCCc2ccccc21 105802386 TWKSTXVZGLYRBY-DVQYEPDUSA-N 444.987 7.022 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccccc1F)c1c[nH]c2ccccc12 170070285 YJOCMUYMZCNTJV-QFIPXVFZSA-N 446.865 5.743 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2c[nH]c3ccccc23)s1 170074228 MBJYENCGZZZJSY-FQEVSTJZSA-N 447.491 5.163 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)o1 170101196 NCRAOXHCGFQEOU-JOCHJYFZSA-N 439.870 5.482 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1cccc(C)c1 170140786 UUSNAPPWAYGFKE-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2cccs2)cc1 170155426 ASORIMBXUMWAQX-OAQYLSRUSA-N 437.492 5.459 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccs2)ccc1Cl 170163762 FYJULVDEYCHGIQ-FQEVSTJZSA-N 445.968 5.711 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1ccc(OCC)cc1 170214221 FGWVQABCOQBHLH-HSZRJFAPSA-N 437.536 5.171 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@@H]1c1ccccc1 170226040 XCTGNQYNENDJIE-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2)cc1C(C)(C)C 170233798 UXGYNPJRTFJLCK-XMMPIXPASA-N 447.575 5.904 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1ccccc1F)c1ccc2c(c1)CCCC2 170248806 BMZYVUCWBXMKPG-XMMPIXPASA-N 443.474 5.193 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2F)ccc1OC(C)C 170249205 DMRFBGBQPCITKZ-DEOSSOPVSA-N 445.490 5.704 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@H]1c1c[nH]c2ccccc12 170255596 YQUYHFVZSAIFOX-XMMPIXPASA-N 446.547 5.597 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)(C)C)c2)[C@H]1c1ccc(CC)cc1 170267816 GWRKHDYAZVFJKP-XMMPIXPASA-N 449.591 5.934 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccc(CC)cc1 170268397 CXULVYJDOCIMOZ-XDHUDOTRSA-N 433.548 5.341 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccccc1C 170277430 UMGDKKGDQWIVSG-XMMPIXPASA-N 435.564 5.798 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2C)cc1C 170278523 NZOHWAMYYCVRCP-XMMPIXPASA-N 433.548 5.613 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(C)o2)cc1C 170298216 BTOFVFIQAFPBBR-OAQYLSRUSA-N 437.517 5.053 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(C)o2)c1 170300003 FTYBRNDNHYXGRN-QHCPKHFHSA-N 427.456 5.734 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1c(C)[nH]c2ccccc12 170312269 JFMLPBZYZLIMKZ-HXUWFJFHSA-N 443.330 5.771 30 10 IKEE Cc1ccc2nc(-c3ccc(C)c(N=Cc4c5ccccc5cc5ccccc45)c3)oc2c1 252623991 PDTYYXNUJLDUBR-UHFFFAOYSA-N 426.519 8.169 30 10 IKEE CCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2CC)S/C1=N/[C@H](C)c1ccccc1 254293876 WHBAUJFADSQSAI-UEPKEZTGSA-N 439.606 5.509 30 10 IKEE Br/C(C=NN1CCN(Cc2cccc3ccccc23)CC1)=C/c1ccccc1 254791859 WEVQENAYLUVJHK-VOTZUISLSA-N 434.381 5.379 30 10 IKEE C=C1[C@H](C)CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]12 257418100 FPEQZEXTCWHNGF-LETDIDAQSA-N 426.729 8.025 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(/C=C\C(=O)Cc2cc(F)cc(Br)c2)cc1 405941590 UHFWCJTYAXLQKM-TWGQIWQCSA-N 434.305 5.760 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccccn2)c1 526487980 ILVVSNGZSXBYQF-XMMPIXPASA-N 425.488 5.189 30 10 IKEE Cc1cccc([C@@H]2C(c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2c2ccccc2C#N)c1 526606774 IRLYIYAJKMQMCA-JOCHJYFZSA-N 435.310 6.231 30 10 IKEE C(=N\n1cnnc1SCc1ccccc1)\c1ccc(OCCCc2ccccc2)cc1 526800941 VAMWEXADISJJQZ-IMRQLAEWSA-N 428.561 5.464 30 10 IKEE CCOc1cc(/C=N\n2c(C)nnc2SCc2ccc(F)cc2)ccc1OC(C)C 526801244 HGPALBBWYAYUDZ-CFRMEGHHSA-N 428.533 5.086 30 10 IKEE CCCOc1c(/C=N\n2c(C)nnc2SCc2c(F)cccc2Cl)cccc1OC 526816873 FCZOANIADHSFMS-MSXFZWOLSA-N 448.951 5.351 30 10 IKEE CCCCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1 526829196 WCNVTEDCRYOWDT-HAHDFKILSA-N 439.541 5.102 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@H](C#N)c1ccc(F)c(Br)c1 698849404 CKEVJUAFWCGTJV-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE O=C1/C(=C/c2cn(-c3ccc(Cl)cc3)nc2-c2ccc(Cl)cc2)COc2ccccc21 725330816 DXUJUQQTWNEFLZ-QGOAFFKASA-N 447.321 6.505 30 10 IKEE C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)C2=O 1076011129 CMCWTYNIVZMUIH-KSOYQNEMSA-N 430.554 7.701 30 10 IKEE CC(=O)Nc1c(C#N)sc(=NC(=Nc2ccccc2)c2ccccc2)n1-c1ccccc1 1081119641 XXBJMNNLTGNAOV-UHFFFAOYSA-N 437.528 5.048 30 10 IKEE COc1ccc([N+](=O)[O-])cc1C=Nc1ccc2nc(SCc3ccccc3)sc2c1 1084523850 MRCMKAXTXIHDRV-UHFFFAOYSA-N 435.530 6.256 30 10 IKEE O=C1[C@H](Cc2cc(Cl)cc(Cl)c2)SC(=Nc2ccccc2)N1c1ccccc1 1772727884 VUNHADRTBPRJGX-FQEVSTJZSA-N 427.356 6.372 30 10 IKEE O=C(O)c1cccc(N=C2S/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccccc2)c1 1772736556 MWOYWWDUQBMZJD-JTKXPSIUSA-N 445.456 5.102 30 10 IKEE COc1cccc(/C=C2/SC(=Nc3nc(-c4ccccc4)cs3)N(C)C2=O)c1OC 1772740420 XUAOWCFVMHMSBV-RFWMEDTCSA-N 437.546 5.061 30 10 IKEE N#Cc1cccc(C(=O)Oc2ccc(C3=CCN(C(=O)CC4CCCCC4)CC3)cc2)c1 1860681680 UPSZHBJIMHCWAO-UHFFFAOYSA-N 428.532 5.364 30 10 IKEE N#Cc1c(NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)sc2c1CCCC2 1860798087 QGLVLWHEKWSLBM-UHFFFAOYSA-N 446.022 6.006 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(OC)c(F)c2)n(Cc2ccc(Cl)cc2)n1 1862368236 JAWKJEODZDVNQN-UHFFFAOYSA-N 439.918 5.214 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc(F)cc2)cc1C 1862401850 LJFAHFWTVXRNMT-NQKDMWHGSA-N 437.511 5.300 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccccc1 1862412954 RHWCJFMXKHQIAR-AVRDEDQJSA-N 427.491 5.902 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862444741 GJNQHEGHRONAQG-QHCPKHFHSA-N 449.909 5.820 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCC(C)C)cc1 1862450927 SEBLMIURPAWBDB-QFIPXVFZSA-N 441.955 5.753 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2cccc(Br)c2)cc1 1862488071 QBKLUDZJHFYHQX-HXUWFJFHSA-N 442.353 5.382 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(C(C)C)cc2)c1 1862492815 AQTLRVZYKSIASA-SANMLTNESA-N 445.603 6.728 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2c(F)cccc2Cl)c1 1862494282 JSFRYPBNEFQFFX-NRFANRHFSA-N 439.870 5.467 30 10 IKEE COc1cc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C(C)C)ccc1OC(C)C 1862497680 QEMLSFRHCACUMJ-HSZRJFAPSA-N 437.536 5.086 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2C2CCCCCC2)c1 1862534735 VDAYACKYCLNOQG-RUZDIDTESA-N 447.575 5.949 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2cccc(Cl)c2)cc1 1862535687 ITRLYZLKIFZGTA-XMMPIXPASA-N 445.946 5.989 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccc2)cc1 1862617000 WYWNQUMXRRHUHZ-DEOSSOPVSA-N 443.518 5.902 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2F)cc1 1862673501 LZXDCFLADSTNRH-FYSMJZIKSA-N 447.481 5.867 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)cc1 1862674213 SWPQXIPVMNESOY-QHCPKHFHSA-N 433.454 5.094 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@@H]1c1ccc2cc[nH]c2c1)c1ccc(F)cc1 1862677566 CLASYBMNQWHLHF-HSZRJFAPSA-N 444.437 5.225 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1c(F)cccc1Cl)c1ccc(F)cc1 1862678111 OFUMQNLNBSSDPQ-LJQANCHMSA-N 445.874 5.458 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2ccccc2Cl)c1 1862700682 MAPJOKZNSNZEOG-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc(Cl)c1 1862711853 DLHAENAMEGJTDO-QHCPKHFHSA-N 449.934 5.498 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCCCN(C)C)cc1 1862713237 KDSMLOWSTHFLKZ-VWLOTQADSA-N 442.559 5.068 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@@H]1c1ccccc1)c1ccc2ccccc2c1 1862713352 NDLDRNBUQSJDQC-HHHXNRCGSA-N 447.534 6.051 30 10 IKEE N#Cc1cccc(NC2=C(c3ccccc3Cl)C(=O)N(c3cccc(Cl)c3)C2=O)c1 1863071109 WWUGLJMASWCDGH-UHFFFAOYSA-N 434.282 5.262 30 10 IKEE C=CCN1C(=O)C(Nc2cc(C)c(C)cc2Br)=C(c2cc(C)ccc2C)C1=O 1863405584 CUYMTCXDPJYFDC-UHFFFAOYSA-N 439.353 5.061 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCCc2ccccc2)=C(c2cccs2)C1=O 1863804556 BATWKGDYORPUCS-UHFFFAOYSA-N 438.637 5.801 30 10 IKEE N#Cc1ccccc1NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)nc1C(F)(F)F 1865781333 RJVPVHOGXKNQFF-UHFFFAOYSA-N 436.220 6.198 30 10 IKEE CC[C@](C)(NC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866989923 GJGBBXFMYDPYNA-OFNKIYASSA-N 446.378 5.528 30 10 IKEE CCCCCCCCCCNC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)c2c1CCC2 1868187597 RUCGLNQXEPOXRQ-UHFFFAOYSA-N 436.427 6.538 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2Cl)c(CN2CCCCCC2)cc1=O 1870409016 HXCOFEIPOHRJSS-UHFFFAOYSA-N 445.047 6.275 30 10 IKEE CCCCCCCOc1cn(CCCCN2CCCC2)c(CN(CC)CCCC)cc1=O 1870414010 CKHAVHMNOQBNCE-UHFFFAOYSA-N 447.708 5.696 30 10 IKEE CCCCCCCOc1cn(C[C@H]2CCCO2)c(CNc2ccc(F)c(F)c2)cc1=O 1870833856 WXYCDUZMCJIVDY-HXUWFJFHSA-N 434.527 5.267 30 10 IKEE C#CCOc1cn(Cc2ccc(C)cc2)c(CNc2ccc(Cc3ccccc3)cc2)cc1=O 1871009345 QMRYFDWQNNDCSH-UHFFFAOYSA-N 448.566 5.420 30 10 IKEE CCCCCCCCn1cc(OCCCC)c(=O)cc1CNc1cccc(Cl)c1C 1871111238 ZSVWRBICEQCPJH-UHFFFAOYSA-N 433.036 6.962 30 10 IKEE C=CCn1cc(OCC(=O)Nc2cccc(C)c2)c(=O)cc1CNc1ccccc1C(C)C 1871173579 ICUQDQZMFDXPQV-UHFFFAOYSA-N 445.563 5.096 30 10 IKEE C=CCn1cc(OCCOc2cccc(C)c2)c(=O)cc1CNc1ccc(C(C)(C)C)cc1 1871210265 ZXPYXYKVRCIFMW-UHFFFAOYSA-N 446.591 5.710 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc4c3CN([C@@H]3CCCC[C@@H]3C)CO4)C2=O)c(OC)c1 1871350406 DYMFQPCQRZFFMV-SEWLPPHFSA-N 435.520 5.051 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(OC)cc2)C3=O)cc1 1871411743 QLJPSNWCIIEAHN-HAWKZNDISA-N 443.499 5.280 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2c(c1)O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 1871431481 ZRLXJAWZXRSLST-JLPGSUDCSA-N 435.564 5.628 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1ccc2c(c1)O/C(=C\c1ccc(OC)cc1)C2=O 1871434489 UESJMBMOPZKLSZ-ZKFYFQMZSA-N 438.520 5.592 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 1871895037 JWVGWOOJVRJTMO-XMMPIXPASA-N 442.625 5.376 30 10 IKEE CCOc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 1872759481 PVKXNCZEJVDZJC-XMMPIXPASA-N 438.552 6.295 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)[C@H](C#N)c1nc(-c2ccc(F)c(F)c2)cs1 1872779867 SZYDMKLNGWFADE-JTQLQIEISA-N 439.270 5.894 30 10 IKEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)/C(=C\c3ccccc3)c3ccccc3)n2)cc1C 1872783433 ZRADSQRSEMASFD-NHOMFQCRSA-N 434.564 6.844 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(N(CC)CC)cc2C)=C(c2c(C)cc(C)cc2C)C1=O 1873330662 NQEJXOMILAQRTA-UHFFFAOYSA-N 431.580 5.144 30 10 IKEE COC(=O)c1nc(-c2cccs2)oc1N/N=C/c1ccccc1OCc1ccc(C)cc1 1873463989 RHGQLVVROCPTIM-AFUMVMLFSA-N 447.516 5.523 30 10 IKEE CCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(-c2ccc(C(C)=O)cc2)o1 1873500750 BPAYNINQOZJVKF-VULFUBBASA-N 448.523 5.617 30 10 IKEE C=CCn1c(C(=O)NCc2ccncc2)cc2c(N(CCCC)CCCCCC)ncnc21 1873594166 NSUXBLVVZGOUIC-UHFFFAOYSA-N 448.615 5.129 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(F)c(Cl)c2)cc2c(N3C[C@@H](C)C[C@H](C)C3)ncnc21 1873666640 RLKNTSTUXDDVNJ-GJZGRUSLSA-N 441.938 5.144 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2OCC)n1/N=C/c1ccc(Cl)cc1 1874240900 FCUNLOHIAUKQEF-ZMOGYAJESA-N 442.972 5.460 30 10 IKEE Cc1cccc(CSc2nnc(COCc3ccccc3)n2/N=C/c2cccc(F)c2)c1 1874354181 VRPWLFJYDGGEIV-JFLMPSFJSA-N 446.551 5.617 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SC)nnc2[C@H](C)c2ccccc2)cc1OCC 1874391415 GLDPSAMHHIFQLB-UPMNJHNBSA-N 438.597 5.612 30 10 IKEE Cc1cccc(CSc2nnc([C@H](C)c3ccccc3)n2/N=C/c2cc(C)ccc2O)c1 1874393569 QNUOYQDLOCIIKX-CSWGWEJPSA-N 442.588 5.927 30 10 IKEE C=C(C)CSc1nnc(CC2CCCCC2)n1/N=C/c1ccc(OCCCCC)cc1 1874407617 HGKWDLNABQUAEX-NLRVBDNBSA-N 440.657 6.520 30 10 IKEE Oc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCc2cccc(Cl)c2)cc1 1874414329 NBOXSUUSFPLMIX-YDZHTSKRSA-N 440.981 5.464 30 10 IKEE Cc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SCC(=O)Nc2ccc(C)c(C)c2)c1 1874436620 JSMZHKCWNOEHLD-CVKSISIWSA-N 449.624 5.405 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccco3)n2/N=C/c2ccccc2C)c1 1874463864 FYVYYCJVIHLEOT-AFUMVMLFSA-N 445.548 5.076 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2-c2ccco2)cc1 1874465803 BYARYMWOPXZEME-WGOQTCKBSA-N 449.555 5.698 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2-c2ccco2)c(F)c1 1874469779 WQXJHADWHHXJFT-KIBLKLHPSA-N 448.857 5.783 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(OCCC)cc1 1874476691 SLRISPKWJIIUGK-PCLIKHOPSA-N 426.561 5.723 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc(C(C)C)cc1 1874491223 GEYJCQFBDPRSKX-AFUMVMLFSA-N 427.017 6.428 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2ccccc2C)cc1C 1874493586 VAQROPFYZCBROQ-AFUMVMLFSA-N 433.581 5.084 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(SCc2c(F)cccc2Cl)nnc1C(C)C 1874515355 XXRRAYUVKLUDQB-BRJLIKDPSA-N 446.979 6.156 30 10 IKEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874535238 CWRPRYYWFRLFHB-PGGKNCGUSA-N 445.297 6.087 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Br)cc(Br)c2OC)cc1C 1874574103 VHPKWWILMIFJDT-GQCTYLIASA-N 440.131 5.433 30 10 IKEE O=C(/C=C/c1ccccc1OCc1c(F)cccc1Cl)c1cccc(Br)c1 1874575876 LICDZPKSKBTNNU-VAWYXSNFSA-N 445.715 6.717 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccccc2CC)cc1 1874579904 NZBKJSHXJCKDED-OBGWFSINSA-N 443.543 5.951 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)NCc2ccco2)c(C)c1 1874590009 NXOVNTRMPUHDNX-SOFGYWHQSA-N 437.923 5.450 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccccc1OCc1c(F)cccc1Cl 1874592372 VWLKOECVXHBMJG-PKNBQFBNSA-N 431.290 6.616 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1OCc1cccc(Cl)c1 1874598471 NOYJJIQKPIIYSQ-DHZHZOJOSA-N 436.935 6.449 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1 1874601665 WNZUNVSHVSLFPH-RGVLZGJSSA-N 447.534 6.576 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc3ccccc23)c(Cl)c1)c1ccc(Cl)cc1 1874613377 QYVAAYGOYZZQHJ-RIYZIHGNSA-N 433.334 7.622 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OCc1ccccc1Cl 1874625128 NNFBNWFFZSBXNC-IZZDOVSWSA-N 431.290 6.616 30 10 IKEE CCOc1c(Br)cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1Br 1874625982 GNGYKZCKNBTCRC-ZZXKWVIFSA-N 446.085 5.785 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1OC(=O)c1ccccc1OC 1874693547 KECKNSBFMWLVMK-RVDMUPIBSA-N 442.511 5.698 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)CCc3ccccc3)c2)cc1C(C)C 1874710428 AFZHRCULENKLMN-FYWRMAATSA-N 442.555 6.561 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC(=O)C1CC1 1875080786 SQWZMBZCPZATGA-OVCLIPMQSA-N 428.484 5.582 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3sccc3C)c(OC)c2)cc1 1875113178 ZYVWVSFEQNEVTC-BJMVGYQFSA-N 438.501 5.198 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)cc1)c1ccc([N+](=O)[O-])cc1 1875116613 KCGVDUNVMJZUHN-KXYJEEOFSA-N 447.874 5.853 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1 1875129751 RLDVLJPBENXRNX-UFFVCSGVSA-N 448.518 6.868 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2Cl)c1 1875139277 APIACRBHRQXKOR-PKNBQFBNSA-N 432.947 6.618 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3ccc(C)cc3)cc2)cc1F 1875152908 VAQJBUGZMRGFGZ-OQLLNIDSSA-N 448.490 5.803 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)Cc1ccc(C)c(C)c1 1875178824 DQKWYXYSWNWMHE-FMIVXFBMSA-N 428.528 5.973 30 10 IKEE O=C(Nc1ccc(F)cc1Br)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1889902824 QJXNIOJOHOABOI-UHFFFAOYSA-N 430.117 5.878 30 10 IKEE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(C)c(C#N)c1 1901536521 FNPBQAYSJOFGJQ-RUZDIDTESA-N 439.515 5.123 30 10 IKEE C[C@H]1CCC[C@]2(CSC(=NCC3(N(Cc4ccccc4)Cc4ccccc4)COC3)N2)C1 1912130385 DSKNIVUDASVNND-BKMJKUGQSA-N 449.664 5.099 30 10 IKEE C=C(C)CN(Cc1ccccc1)c1ncc(C(F)(F)F)cc1I 1914534925 QZNSQLXKOUZSDS-UHFFFAOYSA-N 432.227 5.288 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1C[C@]12CCCN(C(=O)OC(C)(C)C)C2 1922101849 ZORWFMOKIHMNHP-UMFSSWHCSA-N 428.617 5.165 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)NCC 1922105103 VNGIDZDLRBJKFZ-JWQCQUIFSA-N 438.612 5.784 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1c(Br)cccc1Br 1922108837 XJVNHNZPEABFDE-LJQANCHMSA-N 439.191 5.635 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1ccc(Cl)s1 1942299987 IJUYROKJMKKERK-ZDUSSCGKSA-N 427.751 6.170 30 10 IKEE CCC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1C 1945774335 SZQWGUXYXPQFPU-AZUAARDMSA-N 431.577 5.570 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1cc(CNC(=O)OC(C)(C)C)cs1 1983877741 XFAYJGRYWRANHC-JOCHJYFZSA-N 430.614 5.587 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCC[C@@H]2CNC(=O)OC(C)(C)C)c1 2032217268 PCZCXBDVUNBWIH-KBMIEXCESA-N 443.588 5.714 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CC[C@H](CCNC(=O)OC(C)(C)C)C2)cc1 2037233693 VGPZMOONJSVDEN-CLOONOSVSA-N 443.588 5.714 30 10 IKEE CCCN1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=Nc1cccc2ccccc12 2040469777 MPRHKGIDUIXRRP-UHFFFAOYSA-N 441.383 7.161 30 10 IKEE C=C(C)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@@H](O)[C@@H](O)C[C@@]34C)[C@H]12 2054357180 OESLKRXCBRUCJZ-LCBXBKFHSA-N 442.728 6.996 30 10 IKEE CC(C)c1ccc([C@@H](n2nc(C(C)(C)C)c(C=NO)c2Br)C(C)(C)C)cc1 2079980930 LILVAWQQPLBOGN-LJQANCHMSA-N 434.422 6.510 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1c1c(C2CCCC2)nn2c(Cl)c(C#N)cnc12 2081260414 BRYNYMOJQWYXBI-INIZCTEOSA-N 429.952 5.374 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)cc(Br)c1)NCC 2110497241 FUJARLGQSVKKEB-MSOLQXFVSA-N 445.829 5.483 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)[C@H]1C[C@@H]1C1CCCCC1 2200284838 XRKQTACOADNWGV-FUHIMQAGSA-N 433.390 6.299 30 10 IKEE Cc1ccc(Nc2cc(Br)cc(F)c2C#N)c(I)c1 2231950509 TWJAUICMAJQKLW-UHFFFAOYSA-N 431.046 5.117 30 10 IKEE CC(C)(C)OC(=O)NC1(CC[C@H](N)C#Cc2ccccc2Br)CCCCC1 2235745268 BOTRRPXIUOPAJO-GOSISDBHSA-N 435.406 5.136 30 10 IKEE C=C1C[C@H]1C[C@H](NCCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237414703 CXJHJVBVRNMJIA-YSIASYRMSA-N 437.422 5.219 30 10 IKEE C=CCCCCCC[C@@H](N)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237424677 XMRQZJRHNKCRED-WOJBJXKFSA-N 439.438 5.739 30 10 IKEE CC[C@H](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 2252638276 PFWZPFAOCAYMRJ-MDOVXXIYSA-N 449.514 5.246 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NC)c2cccc(Cl)c2Br)C1 2259400803 KXSFYSMBWRJBKI-MRXNPFEDSA-N 429.786 5.224 30 10 IKEE C=CCCC1([C@@H](O)Cc2ccc(Cl)cc2Br)CN(C(=O)OC(C)(C)C)C1 2266311720 CIFIKTOQKPWXFY-KRWDZBQOSA-N 444.797 5.209 30 10 IKEE C[C@@H](NC(=O)OC(C)(C)C)c1cccc(NC(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)c1 2267114848 KHLPMVXKRIXRCL-KBAYOESNSA-N 444.381 5.083 30 10 IKEE Cc1cc(OCc2ccccc2)ccc1NC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267594008 YZKWQHPTLWJKDL-UHFFFAOYSA-N 449.381 5.187 30 10 IKEE C=C(C)CCCC[C@H](NCC)c1cc(I)ccc1Br 2271785859 RHUJWTLYWAYUGI-INIZCTEOSA-N 436.175 5.841 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCCCN)c1ccc(Br)c(Cl)c1F 2277211234 TXNZDIKEFLCSPM-HXUWFJFHSA-N 442.756 5.421 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@H](O)C#Cc2cccc(Br)c2)cc1Cl 2278725307 LYACQNHQQZZVPT-GOSISDBHSA-N 436.733 5.535 30 10 IKEE CC(C)c1cc(Br)cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2)c1 2280737225 NFVUNBMIVQFRNB-HXUWFJFHSA-N 429.358 6.579 30 10 IKEE C=CCCC1([C@@H](NC)c2c(F)cc(Br)cc2F)CN(C(=O)OC(C)(C)C)C1 2281043693 YNQUHDLUGXNOFJ-KRWDZBQOSA-N 445.348 5.191 30 10 IKEE C=CCC[C@@H](C)[C@@H](OCCC(=O)O)c1cc(Br)c(Br)s1 2291014544 FMFRBDFXKASTOR-NOZJJQNGSA-N 426.170 5.408 30 10 IKEE CC(C)(C)c1cc(C=NC(C(=O)O)(c2ccccc2)c2ccccc2)c(O)c(C(C)(C)C)c1 2295079432 KISOGYZKVFARFS-UHFFFAOYSA-N 443.587 6.435 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C 2296298562 LLFAZQBLMMGESA-RTBURBONSA-N 437.422 5.108 30 10 IKEE CC(C)Oc1ccc(C(O)=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(Cl)cc2)cc1 2296932761 LPVSOYZFSIQTAP-QFIPXVFZSA-N 448.906 5.149 30 10 IKEE CC1(C)[C@H](C(=O)Nc2ccccc2N=CC=Cc2ccc([N+](=O)[O-])cc2)CC[C@]1(C)C(=O)O 2313652961 SQGJAJWFORJZOI-UQBPGWFLSA-N 449.507 5.476 30 10 IKEE O=C1C(=Cc2cccc(Br)c2)Oc2cc(OCc3ccccc3Cl)ccc21 2314437131 DCDHAQQUIFZUOF-UHFFFAOYSA-N 441.708 6.298 30 10 IKEE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(=Cc1cccc(Cl)c1Cl)C2=O 2314437847 YCUMHDWCOMEPJS-UHFFFAOYSA-N 441.266 5.837 30 10 IKEE O=C1NC(=Nc2ccc(F)cc2)C(=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)S1 2314480968 ZVBLTFJBHCQSJK-UHFFFAOYSA-N 433.291 6.920 30 10 IKEE COc1cccc(C(C)=C2SC(=Nc3cccnc3Cl)N(c3ccccc3)C2=O)c1 2314540692 WEPJQTNUELOXDH-UHFFFAOYSA-N 435.936 5.942 30 10 IKEE CC#CCN(C[C@@H](NCCC)c1ccc(OCc2ccccc2)cc1)C(=O)OC(C)(C)C 2316107503 UUICRFRVRJMMML-RUZDIDTESA-N 436.596 5.567 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@H](C#N)[C@@]1(C)CCCCN1C(=O)OC(C)(C)C 2318815826 HRPWNLMSYIPDRY-NTKDMRAZSA-N 447.551 5.639 30 10 IKEE Cc1c(OCc2ccc([N+](=O)[O-])cc2)ccc2c1OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2321852323 RCVFDFVUJCMNGG-UHFFFAOYSA-N 432.388 5.007 30 10 IKEE Cc1ccccc1COc1ccc(C=Nn2c(S)nnc2[C@@H](C)c2ccccc2)cc1 2321962040 CAIVPWOWJIQNRO-IBGZPJMESA-N 428.561 5.488 30 10 IKEE COc1cc(C=Nn2c(S)nnc2[C@H](C)c2ccccc2)ccc1OCc1ccccc1 2321962114 NYDBGRIJZVFDIL-GOSISDBHSA-N 444.560 5.188 30 10 IKEE CCc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCc2ccc(C)cc2)C4)cc1 2322223650 JWYOVGGOSPYQHW-UHFFFAOYSA-N 439.555 5.877 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCc2cccc(Cl)c2)cc1 2322356684 BRNAFMAHEBACOC-UHFFFAOYSA-N 441.354 7.040 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Br)ccc2OCc2ccccc2F)c1 2322371375 FZQCOCZKNWGINU-UHFFFAOYSA-N 441.296 6.072 30 10 IKEE COC(=O)c1ccc(COc2ccc3ccccc3c2C=CC(=O)c2ccc(F)cc2F)o1 2322498578 HPFBBZUGRJXGDA-UHFFFAOYSA-N 448.421 5.973 30 10 IKEE CCN(CC)C(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccc(C(C)C)cc1 2322731522 RNTUBSYJVJBKRZ-UHFFFAOYSA-N 429.560 6.107 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cc(Cl)ccc1OCc1cccc(C)c1 2322775269 SPGBBTVYMXPNFJ-UHFFFAOYSA-N 448.990 7.430 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2ccccc2OCc2ccc(F)cc2)cc1Cl 2322880989 ZQTVNUUMVQEDAU-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE CCOc1c(C=CC(=O)c2ccc(OC)c3ccccc23)cc(Br)cc1OC 2323019160 RWIQUIIMTXFSGW-UHFFFAOYSA-N 441.321 5.914 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1cccc(OCc2ccc(C)cc2)c1 2323259020 SLCRWTAOMSGBCE-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OCc3ccccc3)c2)c(OCC)c1 2323283656 XOHRXWIACLNKBM-UHFFFAOYSA-N 432.516 5.968 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OCC(=O)Nc2nccs2)c1 2323303271 DEYHMSCPEBLTIA-UHFFFAOYSA-N 434.561 5.663 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3C)C2=O)cc1 2323330217 IHCZPNJFROKFNO-UHFFFAOYSA-N 445.427 5.056 30 10 IKEE Cc1cc(OC(=O)c2cccc(OC(=O)C(C)C)c2)cc2c1C(=O)C(=Cc1ccccc1)O2 2323907972 ZVOWUUOHXJPHHY-UHFFFAOYSA-N 442.467 5.392 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)ccc1OCc1cccc(F)c1 2324048049 PDMMVBXKLVOPMU-UHFFFAOYSA-N 434.463 5.471 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OCC(=O)Nc1ccccc1 2324077688 FDEWZZWFPUNHRN-UHFFFAOYSA-N 443.543 5.906 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)cc(OC)c1OCc1ccc(C)cc1 2324129813 QVBNJMBPRVRAHY-UHFFFAOYSA-N 438.523 6.641 30 10 IKEE Cc1ccccc1C=C1Oc2cc(O[C@@H](C)C(=O)Nc3ccc(F)cc3)cc(C)c2C1=O 2324319359 XREIVKBSBOBOQE-KRWDZBQOSA-N 431.463 5.465 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OCc2nc(O)c3ccccc3n2)cc1 2324356979 BRNUCJIGRLNKEK-UHFFFAOYSA-N 440.499 5.436 30 10 IKEE CCCOc1ccc(C=CC(=O)c2ccc(OCC)cc2OCC)cc1Br 2324494052 LYAAUEFLSCJSKN-UHFFFAOYSA-N 433.342 5.931 30 10 IKEE CCn1cc(C=C2Oc3cc(OCCOc4ccc(C)cc4)ccc3C2=O)c2ccccc21 2324538461 PGENJTLHBFFHCM-UHFFFAOYSA-N 439.511 6.044 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(O[C@H](C)C(=O)Nc4ccc(Cl)cc4)c3C)C2=O)c1 2324612007 FDUCTADLGFKVKW-QGZVFWFLSA-N 447.918 5.979 30 10 IKEE CCOCCOC(=O)CCOc1ccc2c(c1C)OC(=Cc1ccc(C(C)C)cc1)C2=O 2325117914 QHZRFYMBHIKXDX-UHFFFAOYSA-N 438.520 5.083 30 10 IKEE O=C1C(=Cc2ccc(Cl)c(Cl)c2)Oc2cc(OCc3cccc4ccccc34)ccc21 2325272335 WYXUISNQXYGEGQ-UHFFFAOYSA-N 447.317 7.342 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(F)c(F)c4)cc(C)c3C2=O)cc1 2325522018 KQIPKCPERLDUPL-UHFFFAOYSA-N 435.426 5.215 30 10 IKEE CCCOc1ccc(C=Nn2c(CCC)nnc2SCc2cccc3ccccc23)cc1 2325565251 AVRKNTGTLCSJII-UHFFFAOYSA-N 444.604 6.347 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(Cl)cc1 2325593060 ZXOWFPGUKBQAMB-UHFFFAOYSA-N 425.772 5.975 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)CCc3ccc(Cl)cc3)c2)cc1 2325704542 XIHSWEBGJITOKH-UHFFFAOYSA-N 448.946 6.345 30 10 IKEE Cc1nc2ccc(C(=O)Oc3cccc(C=CC(=O)c4cccc(Cl)c4)c3)cc2nc1C 2325728577 WKKUJJLTTIVWBN-UHFFFAOYSA-N 442.902 6.015 30 10 IKEE Cc1c(OCC(=O)Nc2cccc(Cl)c2Cl)ccc2c1OC(=Cc1ccco1)C2=O 2325734530 UIAMVQRTYMTODH-UHFFFAOYSA-N 444.270 5.529 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)C3(c4ccc5c(c4)OCO5)CC3)c2)c(C)c1 2325736457 FYHQKKOCCRWLTQ-UHFFFAOYSA-N 440.495 5.565 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)CCCOc3ccccc3)c2)cc1 2325739333 BOQUOTZBGWWAFC-UHFFFAOYSA-N 444.527 6.136 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1OC(=O)CCc1ccccc1 2325756543 DFQVUCIXVFGNJA-UHFFFAOYSA-N 442.555 6.363 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2)c(C)c1 2325764823 BKORELCSHGJSBC-UHFFFAOYSA-N 449.890 6.289 30 10 IKEE CCCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1N=Cc1cccn1C 2325860197 JVRRNDOPZDDVPH-UHFFFAOYSA-N 439.629 5.310 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cccc(OCC)c1O 2326359070 MHEUANBPNILOLD-UHFFFAOYSA-N 444.988 5.553 30 10 IKEE CCSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1c(F)cccc1Cl 2326380128 QCPIUYPNSWSBJC-UHFFFAOYSA-N 446.979 5.693 30 10 IKEE CCCOc1ccccc1C=Nn1c(COc2ccc(Cl)c(C)c2)nnc1SC 2326489475 KZIUEKKTZSDNDZ-UHFFFAOYSA-N 430.961 5.212 30 10 IKEE C=CCSc1nnc(COc2ccc(OCC)cc2)n1N=Cc1ccccc1Cl 2326684178 RCJKQKPVXHWEFY-UHFFFAOYSA-N 428.945 5.070 30 10 IKEE CCCOc1cccc(C=Nn2c(CC34CC5CC(CC(C5)C3)C4)nnc2SCC)c1 2326906646 PANWLDQRXFRUPL-UHFFFAOYSA-N 438.641 5.820 30 10 IKEE Cc1ccc(CSc2nnc(Cc3cccc4ccccc34)n2N=Cc2cccnc2)cc1 2327705056 UYVXQWZMSPQJIX-UHFFFAOYSA-N 449.583 5.900 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccccn1 2329076953 JPDFVPNFLNZMLH-UHFFFAOYSA-N 433.968 5.400 30 10 IKEE CCCSc1nnc(CCc2ccccc2C)n1N=Cc1cc(Cl)c(O)c(OC)c1 2329500331 ASAYSXISIDFUCD-UHFFFAOYSA-N 444.988 5.124 30 10 IKEE Oc1ccccc1C=Nn1c(Cc2ccccc2F)nnc1SCc1cccc(F)c1 2329717761 PTMHFQKPGOAMLS-UHFFFAOYSA-N 436.487 5.027 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2ccccc2C)nnc1[C@H](C)c1ccccc1 2330057168 PIHLQPQVOOGZBI-OAQYLSRUSA-N 426.589 6.221 30 10 IKEE Cc1cccc(C=Nn2c(CC3CCCCC3)nnc2SCc2cc(C)ccc2C)c1 2330273646 XGJUBOUSKGGEHV-UHFFFAOYSA-N 432.637 6.501 30 10 IKEE CSc1nnc(-c2cccs2)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2330529522 FGYPPCABKRQWGJ-UHFFFAOYSA-N 440.981 5.843 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)CCCC4)cc2Cl)cc1 2330684556 VSYHXJUUTPBZOI-UHFFFAOYSA-N 444.958 6.897 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2-c2ccccc2)c1 2330692937 BGNDMRMLJSTERF-UHFFFAOYSA-N 448.979 6.172 30 10 IKEE Cc1ccccc1CSc1nnc([C@H]2CCCO2)n1N=Cc1cccc2ccccc12 2330895894 BMEJOAWDHIXBSO-HSZRJFAPSA-N 428.561 5.766 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)[C@H]1CCCO1 2330935252 NPOKGYMGJKHNAJ-LJQANCHMSA-N 435.303 5.373 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)ccc1OC(=O)[C@@H](C)c1ccccc1 2330979754 ZESKXANHOZTQJS-IBGZPJMESA-N 430.500 5.699 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)Cc2ccc(F)c(C)c2)c(Cl)c1 2331059373 QOLGYHJHPQAQPZ-UHFFFAOYSA-N 438.882 5.840 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2cccc(C)c2)nnc1-c1ccco1 2331183662 VZHLJFNTMJBAFN-UHFFFAOYSA-N 430.533 5.586 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)c1cccc(F)c1 2331214871 VRWVPUSZQAGJHK-UHFFFAOYSA-N 438.882 6.220 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)C)n2N=Cc2ccc3c(c2)OCCO3)c1 2331456461 PEKZNJVKFFJITM-UHFFFAOYSA-N 436.581 5.039 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(F)c2)cc(Cl)c1OC(=O)c1ccco1 2331459629 CQXLFZJYNPFJAK-UHFFFAOYSA-N 444.842 5.595 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3cccc4ccccc34)cc2Cl)c1 2331472306 HUWQDQZWIBEENB-UHFFFAOYSA-N 442.898 6.617 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OC(=O)c1cnc(C)cn1 2331480440 RRDLRCALCDCCLK-UHFFFAOYSA-N 438.483 5.452 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)COc2ccccc2)cc1 2331545619 IARWWBWKDKZYQB-UHFFFAOYSA-N 444.527 5.873 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1ccc(Cl)cc1 2331565595 XGRGJIUAYWCGIO-UHFFFAOYSA-N 442.845 6.132 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3c(F)cccc3Cl)cc2)cc1C 2331835490 ZDYQJLDTQUFYDQ-UHFFFAOYSA-N 438.882 6.220 30 10 IKEE C[C@@H]1CCC[C@H](SCc2ccc(B3OC(C)(C)C(C)(C)O3)c(Br)c2)C1 2349835572 XEWBBIHRLVQNFA-ZBFHGGJFSA-N 425.241 5.560 30 10 IKEE CCCN[C@H](C#Cc1cccs1)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2363547583 GPOHBCOPBIRDJQ-GOSISDBHSA-N 449.414 5.950 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1c(C)c(C)c(Br)c(C)c1C 2372262493 HZTRGKSFKJDMPB-FXAWDEMLSA-N 437.422 5.250 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(C)c(C)c(Br)c(C)c1C 2372277917 HNFYWSKCCIHLLD-YLJYHZDGSA-N 439.438 5.803 30 10 IKEE C=CCc1ccccc1OCC(=O)Nc1nc(-c2ccc(Br)cc2)c(C)s1 1284907 HULAKXPDHLQPSO-UHFFFAOYSA-N 443.366 5.627 30 10 IKEE CCCCCCCCN1C(=O)/C(=C2\C(=O)N(CCCC)c3ccccc32)SC1=S 1835885 IHCGQYKIADLTFE-FMQUCBEESA-N 430.639 5.765 30 10 IKEE CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(CC)sc1SCC 9982589 BSSAIYMLNNQSCM-IBGZPJMESA-N 433.639 5.590 30 10 IKEE C=CCN1C(=O)/C(=C/c2cccc3ccccc23)S/C1=N\c1ccc(O)cc1C(=O)O 16927055 FNOOBQCAAXRPIN-KPWFMKORSA-N 430.485 5.034 30 10 IKEE COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@H]3c2ccccc2C)cc1 17099618 LIFPMYNMWAFGEK-PPHZAIPVSA-N 435.527 5.769 30 10 IKEE C[C@@H](Nc1cccc(OCc2ccccn2)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 30453049 MWPILVKPFHZWPM-QGZVFWFLSA-N 446.576 5.302 30 10 IKEE CC(=O)C1=C(c2ccccc2)S/C(=C2\C(=S)C(C)(C)Nc3c(C)cc(C)cc32)S1 33349868 KVPVOSZTHPIWLM-NKFKGCMQSA-N 437.655 6.984 30 10 IKEE COc1cc(/C=N/N=C(\C(=O)c2ccccc2)c2ccccc2)ccc1OCc1ccccc1 33412590 SZXSHNPTJPJYAG-WKLDVNKYSA-N 448.522 5.980 30 10 IKEE COc1ccc(/C=C\C(=O)c2ccc(F)cc2)cc1COc1ccc(Cl)cc1Cl 33753141 PPPUKZBDLULFAN-MBXJOHMKSA-N 431.290 6.616 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)cc3)c(OC)c2)c(OC)c1 34954247 MTKKTWGRSGNECX-NTUHNPAUSA-N 432.472 5.136 30 10 IKEE C=CCN1C(=O)c2[nH]nc(-c3c(C)cc(C)cc3O)c2[C@H]1c1ccc(OCCCC)cc1 38705186 WTIXSHIDAKKAQJ-RUZDIDTESA-N 431.536 5.309 30 10 IKEE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1/C(=N/Nc1ccccc1)CCC2 40824200 XCWGRGSOOKYFJI-WPWMEQJKSA-N 428.319 6.300 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1ccc2c(c1C)O/C(=C\c1ccc(C)cc1)C2=O 41289851 UNUPCPWBFFXPSB-HMAPJEAMSA-N 430.456 5.156 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OCc4ccc(F)cc4)cc(C)c3C2=O)c2ccccc21 41435650 AAAGQHYBLWXMPT-MXAYSNPKSA-N 427.475 6.304 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(C(C)(C)C)cc1)C3=O)CN(Cc1ccccc1)CO2 41588142 HFFBCPCPZPWTGE-QFEZKATASA-N 439.555 6.261 30 10 IKEE C=CCSC1=N/C(=C/c2ccc(OCC)c(OC)c2)C(=O)N1c1ccc(F)c(Cl)c1 96448976 LGYCUKMPRHGPTJ-WOJGMQOQSA-N 446.931 5.549 30 10 IKEE CCCCCCCOc1ccc(NC(=O)CNc2cccc(CCC(=O)N(C)C)c2)cc1 100117760 FMTGTVWEDKAEKC-UHFFFAOYSA-N 439.600 5.107 30 10 IKEE COc1ccc2ccccc2c1/C=C1/S/C(=N/c2ccccc2)N(C2CCCCC2)C1=O 100288589 RTFKJFICWLAVQA-IXTCTEKTSA-N 442.584 6.785 30 10 IKEE CC(=O)c1cccc(NC(=O)c2oc3c(c2C)/C(=N\Nc2ccccc2)CC(C)(C)C3)c1 101108910 UQQYMZHADYXYIU-ANYBSYGZSA-N 429.520 5.832 30 10 IKEE C=CCn1c(C(=O)NC[C@H](c2ccc(OC)cc2)N(C)C)c(C)c2cc(C(C)C)ccc21 169860635 ZWUWYLRZORUDAG-RUZDIDTESA-N 433.596 5.300 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2cc(C)cc(C)c2)c1 169930085 GFTSSEZOIQEYRR-DEOSSOPVSA-N 445.490 5.542 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccc(F)c(F)c2)c1 169968380 NQHFLTUFMIGYJS-OAQYLSRUSA-N 439.845 5.710 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(O)c(Cl)c2)cc1 170042052 WDKAPDJFLOTCIQ-JOCHJYFZSA-N 439.939 5.519 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2ccccc2C)c1 170086175 HSHLVLUSCPBMEH-XMMPIXPASA-N 427.500 5.403 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@H]2c2ccco2)cc1 170092581 ZTVDGXWKELYBDE-FQEVSTJZSA-N 441.842 5.254 30 10 IKEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccco1)c1c[nH]c2ccccc12 170098007 NHIJCVHJQORJED-FQEVSTJZSA-N 441.468 5.154 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1sccc1C 170106814 SUUGNCAXUHJUIK-IBGZPJMESA-N 439.920 5.501 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(OC)cc1 170116030 XSSSLEOMTVVLKA-IBGZPJMESA-N 434.319 5.380 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2cccs2)cc1C 170158052 CWLANMMGSOWIOC-DEOSSOPVSA-N 439.536 6.301 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccn2)cc1 170182121 CAPRDJRFKVQZDC-QHCPKHFHSA-N 434.536 5.172 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC(C)C)cc3)[C@H]2c2cccnc2)cc1 170189310 FBUAOBKLCTWMRM-XMMPIXPASA-N 442.515 5.208 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccnc2)cc1 170194241 IYYCQPGQELDMTG-XMMPIXPASA-N 448.563 5.562 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 170235443 UOBSLXDNVHKBSD-QHCPKHFHSA-N 447.918 5.590 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@H]2c2ccc(F)cc2)cc1 170243253 RMFLDGRNHQCSAN-QHCPKHFHSA-N 439.527 5.773 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1ccccc1C 170271420 FFSVDEQLGGDSRK-XMMPIXPASA-N 441.527 5.712 30 10 IKEE CCOc1cc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(CC)cc2)ccc1OC 170439747 OFDZTVMXFRIRPH-DEOSSOPVSA-N 437.536 5.172 30 10 IKEE N#Cc1ccc(Nc2ccc(Br)c(Cl)c2Cl)c(F)c1Br 236211627 QVYZEJRGOYWVTG-UHFFFAOYSA-N 438.909 6.273 30 10 IKEE CCOc1cccc(C=Nc2ccc3oc(-c4ccccc4Br)nc3c2)c1O 252589375 AJWQMYBKWREWSE-UHFFFAOYSA-N 437.293 6.112 30 10 IKEE CCOc1cccc(/C=C2\SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)c1 252599924 DMVNZPBABRIATL-SIFMURAYSA-N 428.557 6.511 30 10 IKEE CN1C(=O)/C(=C\c2ccc(OCc3ccccc3C#N)cc2)SC1=Nc1ccccc1 252600893 DVEURUIBUFCIJC-ZRAGWZJNSA-N 425.513 5.371 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=Nc2ccccc2)N1c1ccccc1 252626255 QZFGQBJWAPWRSN-MJBUPYINSA-N 425.340 6.802 30 10 IKEE CCOc1ccc(N=C2S/C(=C\c3cc(C)n(-c4cccnc4)c3C)C(=O)N2CC)cc1 254353245 VSSYOJGSZNFLTL-YOIRLTMBSA-N 446.576 5.512 30 10 IKEE C=CCn1c(-c2cc(C)n(-c3ccccc3)c2C)csc1=Nc1cc(OC)cc(OC)c1 254751149 KEZGQDCUUJJHON-UHFFFAOYSA-N 445.588 6.060 30 10 IKEE N#C[C@@H](Nc1ccccc1Br)c1cc(Br)cc(Br)c1 394580131 TZUYLOJZBBZACZ-CQSZACIVSA-N 444.952 5.651 30 10 IKEE C=CCCCCC[C@H](NCCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 406330259 UDUQYNJHOUKUHC-FQEVSTJZSA-N 439.438 6.973 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1cccc(C)c1 526813573 BXBPIJKVUIRZIQ-CFRMEGHHSA-N 433.408 6.410 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1ccccc1C 526814027 LXEBVMZVTIETJL-CFRMEGHHSA-N 433.408 6.410 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1ccccc1C(=O)O 526814302 DZRNDQDKJPWFLA-YVNNLAQVSA-N 435.336 5.020 30 10 IKEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1c(F)cccc1Cl 526829591 QLKKQLQUGUETFE-FMCGGJTJSA-N 447.923 5.496 30 10 IKEE CCOc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)c(Cl)c2)cc1 586253512 HBSAXXFUKJZNLD-UHFFFAOYSA-N 444.915 5.145 30 10 IKEE C=CCN(CC=C)C(=O)Nc1ccc(OC(=O)CCC(=O)c2ccc(Cl)cc2)cc1 586513432 BNWYRAWROJLKTE-UHFFFAOYSA-N 426.900 5.114 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H]1C(C)(C)[C@@]2(C#N)Nc1ccccc1Br 693743055 WNRRFXSIHLCJQK-ZVGUJKQYSA-N 434.378 5.179 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCC[C@@H](C(F)(F)F)C1 698455576 KYSMOQSAGQNSPR-FZKQIMNGSA-N 447.295 6.205 30 10 IKEE C=CCN(C[C@@H](NCCC)c1c(C)ccc(Br)c1F)C(=O)OC(C)(C)C 721195995 VBIFZSQWTQFFTE-MRXNPFEDSA-N 429.374 5.360 30 10 IKEE C=C1CCC(C[C@@H](NC)c2cc(I)ccc2Br)CC1 724619327 SREWPAQZPHHYLF-MRXNPFEDSA-N 434.159 5.451 30 10 IKEE C[C@H]1CC(=Nc2cc(Cl)cc(Cl)c2)c2cc(F)ccc2N1C(=O)c1ccc(F)cc1 1088670902 KVCAMCZBMKRDEI-ZDUSSCGKSA-N 445.296 6.831 30 10 IKEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCc2c(ccnc2O)C1 1286682024 AHHDBZQDUZULQA-UHFFFAOYSA-N 431.584 5.262 30 10 IKEE O=C1/C(=C\c2ccc(Br)cc2)SC(=Nc2ccccn2)N1C1CCCCC1 1772731961 STOHCLFTUZVWCH-UQIYEGRLSA-N 442.382 5.781 30 10 IKEE CCOc1ccc(/C=C2\SC(=Nc3cccnc3Cl)N(c3ccccc3)C2=O)cc1 1772733892 OJGLKMDOKKCEPO-OIYMOPNQSA-N 435.936 5.942 30 10 IKEE N#Cc1cccc(C(=O)Oc2cccc3c(NC(=O)c4ccc(F)c(F)c4F)cccc23)c1 1858926012 ZNSVBXZSUGGFBC-UHFFFAOYSA-N 446.384 5.600 30 10 IKEE CCCCOc1ccc(N(C(=O)c2cccc(C#N)c2)[C@H](C)CCc2ccccc2)cc1 1859993270 BSBJHXYNFOCSSC-JOCHJYFZSA-N 426.560 6.405 30 10 IKEE CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1/C=N/NC(=S)NC1CCCCC1 1860499818 YGVONPJVQPAHQL-PGGKNCGUSA-N 445.942 5.261 30 10 IKEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)[C@@H](C)Oc1ccc(C(C)C)cc1 1861673969 NJOTVZFMTVQSNG-OAQYLSRUSA-N 432.649 5.729 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1cccc(O)c1 1862381718 GNIRUFXXDOFYAG-FQEVSTJZSA-N 448.346 5.858 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@H]1c1ccccc1 1862387131 DNLXYJKSNBTEQF-AOYPEHQESA-N 447.619 6.966 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@@H]2c2ccc(N(CC)CC)cc2)cc1 1862394883 RJXIYSQZXYZNTI-XMMPIXPASA-N 434.580 5.474 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@@H](C)CC)c1 1862419602 WLBFZAMJCZJGHF-QKKBWIMNSA-N 429.463 5.130 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)cc1 1862431763 OHALKFSIJKYRST-JFJYTDJESA-N 437.967 6.059 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc2ccccc12)c1ccccc1Cl 1862435524 XUGAISKRLNVDSY-HSZRJFAPSA-N 443.886 5.865 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCCC)cc1 1862451373 DFZFIRHFUFDKAC-QFIPXVFZSA-N 441.955 5.897 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccc(O)c(O)c2)c1 1862489457 VXFMETVYEKHODS-XMMPIXPASA-N 447.531 5.183 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2c(Cl)cccc2Cl)c1 1862498631 MNKHUBBMIKQUPE-OAQYLSRUSA-N 444.358 6.131 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccccc2F)c1 1862507393 KFNIKEAXOVPBCC-QHCPKHFHSA-N 433.454 5.360 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(F)cc1 1862590624 MDIOWZFFNWWQHS-SIKLNZKXSA-N 425.500 5.469 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@@H]1c1ccc(F)cc1)c1ccc2c(c1)OCO2 1862627994 SJKWGADDPKVXPZ-HSZRJFAPSA-N 449.478 5.023 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc(Cl)cc2)cc1F 1862641746 ZYBSQIJBVVBKJE-FQEVSTJZSA-N 431.891 5.112 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccc2ccccc12 1862666697 KEYRXNTWOSTDGY-BVZFJXPGSA-N 427.544 6.340 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc2c(c1)CCCN2C 1862667807 KNNLOXCFNOSBGL-XMMPIXPASA-N 432.564 5.181 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@H]1c1ccccc1Cl)c1ccc(F)cc1 1862675981 XWRGNSUNTDXEMF-QFIPXVFZSA-N 439.914 5.948 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc(O)c1 1862713637 SMJAZSXHSZWLCU-XMMPIXPASA-N 429.516 5.704 30 10 IKEE N#Cc1ccccc1NC1=C(c2ccc(F)cc2)C(=O)N(c2cccc3ccccc23)C1=O 1862764824 CLUAJEVBCYCGNM-UHFFFAOYSA-N 433.442 5.247 30 10 IKEE Cc1ccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)c(C)c1 1862799169 ZWFVWQUNXRJECD-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE Cc1ccccc1NC1=C(c2ccc(OC(C)C)cc2)C(=O)N(c2ccccc2C#N)C1=O 1862991605 HASGOEDINPUBMJ-UHFFFAOYSA-N 437.499 5.051 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccc(Cl)cc3C)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1863030955 UHDBTOSWJOSZNO-UHFFFAOYSA-N 441.918 5.534 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2OC)=C(c2ccccc2Cl)C1=O 1863443953 FTNHPZHSHDHWJK-UHFFFAOYSA-N 440.971 5.901 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2OC)C(=O)N(CCCc2ccccc2)C1=O 1863765553 DZVPWULSHCVQFN-UHFFFAOYSA-N 448.607 5.358 30 10 IKEE CC[C@@](C)(NC(=O)C[C@@H](c1ccc(Cl)cc1)C(C)C)C(=O)Nc1ccccc1C#N 1866754390 HXZBQCKJWMFZHT-HYBUGGRVSA-N 425.960 5.265 30 10 IKEE CCCCCCOc1ccc(C(=O)N[C@@H](CCC)C(=O)N[C@@H](C#N)c2ccc(C)cc2)cc1 1867567514 VHUZVNCUALZQRQ-DQEYMECFSA-N 449.595 5.234 30 10 IKEE Cc1ccc(-c2nc(Nc3cccc(C#N)c3)cc(N3CCO[C@H](c4ccccc4)C3)n2)cc1 1868312971 SVQMBJXYDFHDKW-VWLOTQADSA-N 447.542 5.645 30 10 IKEE CCCCCCCCCCn1cc(OCc2cc(=O)oc3ccc(C)cc23)c(=O)cc1C 1870087968 LIAUBRPJHIJLIV-UHFFFAOYSA-N 437.580 6.291 30 10 IKEE C=CCn1cc(OCCOc2ccccc2)c(=O)cc1CSc1ccc(Cl)cc1 1870161268 JGSZQLXZCGBEHK-UHFFFAOYSA-N 427.953 5.438 30 10 IKEE C=CCOc1cn(C[C@@H](c2ccccc2)N2CCCC2)c(CSc2ccccc2)cc1=O 1870245954 LURMDZJJRBCIRS-VWLOTQADSA-N 446.616 5.543 30 10 IKEE C=CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN(CCCC)CCCCCC 1870348490 ZYHHSGPYIFHHAV-UHFFFAOYSA-N 435.612 5.667 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)c(Cl)c2)c(=O)cc1CNc1ccccc1C 1870826204 RQPJMBSQBGJIDY-UHFFFAOYSA-N 429.347 5.841 30 10 IKEE CCCCCCCOc1cn(Cc2ccco2)c(CNc2ccc(C)c(Cl)c2)cc1=O 1870836382 LZVJXNFVAAODOV-UHFFFAOYSA-N 442.987 6.413 30 10 IKEE CCCCCCCOc1cn(Cc2ccccn2)c(CNc2ccc(F)c(F)c2)cc1=O 1870838074 NBQGWORWTQQAHF-UHFFFAOYSA-N 441.522 5.531 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(O)cc2)c(CNc2ccc(F)cc2)cc1=O 1870839424 LHWUWTWQLWAZTA-UHFFFAOYSA-N 438.543 5.703 30 10 IKEE C=CCn1cc(OCC(=O)OCCCCCC)c(=O)cc1CNc1ccc(C)c(Cl)c1 1870841025 MSNPYFPLYHMOGF-UHFFFAOYSA-N 446.975 5.111 30 10 IKEE C=CCn1cc(OCCCCOc2ccc(C)cc2)c(=O)cc1CNc1ccc(C)cc1 1871226019 HDBYAEHONKCIHS-UHFFFAOYSA-N 432.564 5.501 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN([C@H]3CCCC[C@H]3C)C4)C2=O)cc1 1871355462 AIIPKHKDYSTFDI-SSYCCWKBSA-N 433.548 5.741 30 10 IKEE CCCOC(=O)[C@@H](CC)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O 1871434926 WFNOMLANJPEEBU-QOYJSAPCSA-N 449.330 6.029 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4cc(C)cc(C)c4)cc(C)c3C2=O)c1 1871453985 BZBYPCMXZIOHLX-CFRMEGHHSA-N 427.500 5.554 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)c(Cl)c1)C(C)C)S(=O)(=O)c1ccc(C)cc1 1871789719 GXTBHKRKBCMDLM-QFIPXVFZSA-N 449.016 5.187 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1cc(C)ccc1C 1871861648 MNYVUOWFKTVFJW-JOCHJYFZSA-N 446.588 5.207 30 10 IKEE C=C(C)CN([C@H](C)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872212735 HTDMMENMQHSXEI-HXUWFJFHSA-N 442.625 5.195 30 10 IKEE Cc1nc(SCc2cccc(C(=O)Nc3ccc4c[nH]nc4c3)c2)c(C#N)c(C)c1C 1872893122 IFZKZNZVNAZCPT-UHFFFAOYSA-N 427.533 5.299 30 10 IKEE C=CCN(CC=C)C(=O)c1cc2c(N(CCCC)CCCC)ncnc2n1CC(C)C 1873552134 MDMVIYZROICUHD-UHFFFAOYSA-N 425.621 5.308 30 10 IKEE CCCCCCCCNC(=O)c1cc2c(N3CCC[C@@H](C)C3)ncnc2n1CCCC 1873580747 HJQMQUHVBDHOHX-HXUWFJFHSA-N 427.637 5.558 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2C)n1/N=C/c1sccc1C 1874249378 AIFMBINJRQWHLK-OEAKJJBVSA-N 426.611 5.518 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1cccc2ccccc12 1874250204 XISPTMLQKMRLLK-ZXVVBBHZSA-N 442.588 5.912 30 10 IKEE CCCSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1ccc(C(C)C)cc1 1874253614 GZPXSBYVGYOGKF-NLRVBDNBSA-N 436.625 6.106 30 10 IKEE Clc1ccc(OCc2nnc(SCCc3ccccc3)n2/N=C/c2cccnc2)cc1 1874265324 RVYWDEQYGZDHDV-WGOQTCKBSA-N 449.967 5.123 30 10 IKEE Clc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2)cc1 1874265431 XDFDLOSSIUOQMX-MFKUBSTISA-N 434.952 5.685 30 10 IKEE COc1ccccc1OCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccccc1 1874288605 BNMYNTGETHRRNG-CVKSISIWSA-N 448.523 5.179 30 10 IKEE Cc1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCc2ccc(F)cc2)cc1 1874378354 LHTUPYHEMZTHNW-JFLMPSFJSA-N 434.515 5.630 30 10 IKEE COc1ccccc1/C=N/n1c(Cc2ccc(C)cc2)nnc1SCc1ccccc1 1874389395 PEIUAFHMQWHCDY-YZSQISJMSA-N 428.561 5.360 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2[C@@H](C)c2ccccc2)cc1 1874392715 SDUQXSZBJBNTDJ-KKMLCIJBSA-N 442.588 5.921 30 10 IKEE COc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccccc2F)cc1 1874402837 LJMVYQAIOHWGMP-WPWMEQJKSA-N 446.551 5.386 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2[C@@H]2CCCO2)cc1 1874449809 MGCTUJRLKYJGBY-LRULAXNGSA-N 444.560 5.466 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccco3)n2/N=C/c2c(Cl)cccc2Cl)cc1 1874464066 PGXWJFARSNIKND-WYMPLXKRSA-N 443.359 6.328 30 10 IKEE CCCOc1c(/C=N/n2c(SCc3ccccc3)nnc2C2CCC2)cccc1OC 1874495400 JHJBRHCYLGNJQR-PCLIKHOPSA-N 436.581 5.518 30 10 IKEE CCCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874503613 RCBLIWUCDUHCTH-AFUMVMLFSA-N 442.560 5.340 30 10 IKEE CCCSc1nnc(CCC)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1874508672 PEROMRGTABXLDW-BUVRLJJBSA-N 428.989 5.847 30 10 IKEE CCOc1cc(/C=N/n2c(C)nnc2SCc2c(Cl)cccc2Cl)ccc1O 1874533671 VXULTQUGAUEBMA-LSHDLFTRSA-N 437.352 5.172 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c1OCc1cccc(F)c1 1874570204 RRELQIIKJSLXGL-ISLYRVAYSA-N 438.498 6.976 30 10 IKEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1cccc2ccccc12)Nc1nccs1 1874583544 SOADVQCYBJCFBJ-CSKARUKUSA-N 448.931 5.863 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccccc2OCc2ccccc2Cl)c1 1874585739 CPZVPBRZUYCZJE-FYWRMAATSA-N 436.935 6.613 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cccc(OC)c1OCc1ccccc1C 1874588732 AUFQYMGOUDLUHW-OUKQBFOZSA-N 436.935 6.449 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)c1 1874596961 MSWLKVNYMKPGMV-JXMROGBWSA-N 443.326 6.486 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc2ccccc2c1 1874603558 SGWUFLWEVSUEKK-NTUHNPAUSA-N 427.431 6.362 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)c1 1874605095 PQZQVDSULFIDNG-DHZHZOJOSA-N 426.871 5.971 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1 1874607151 DYTWRHSYADHDQE-OQLLNIDSSA-N 449.934 7.066 30 10 IKEE CCCOc1c(OCC)cc(/C=C/C(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 1874607885 LRCWGPWLGOEEBJ-BJMVGYQFSA-N 434.286 5.441 30 10 IKEE Cc1ccc(COc2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2Br)cc1 1874613217 ISERNZZHTDEYBR-WUXMJOGZSA-N 441.752 6.886 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OCc1cccc(Cl)c1 1874614411 PEKMBSGBMCOZPF-WUXMJOGZSA-N 427.327 6.867 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OCC)cc2)cc(OC)c1OCC(=O)OCCC 1874615268 OWFVFZDSPHNBCJ-NTEUORMPSA-N 438.520 5.051 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 1874617005 FMAGTLVCUVNRFF-MKMNVTDBSA-N 436.935 6.613 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OCc3ccccc3)c(OC)c2)c(C)c1C 1874627919 CMACYIFKJPPSAN-ZRDIBKRKSA-N 436.935 6.449 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OCc3cccc(F)c3)c([N+](=O)[O-])c2)c1C 1874629356 YTTGCISQUDOIBD-CSKARUKUSA-N 433.479 6.443 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(OC(=O)C3CCC3)c(OC)cc2Br)c1 1874695342 VZTLXTJUWJCOEW-MDZDMXLPSA-N 445.309 5.068 30 10 IKEE O=C(CCc1ccccc1)Oc1cccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1 1874695445 BELSAJNMRAPZSJ-UKTHLTGXSA-N 425.311 6.428 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc(OC)cc3)ccc2OC)cc1 1874696503 DRGKIZIBWKTSED-PJQLUOCWSA-N 432.472 5.218 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(Cl)cc3)c2)cc1 1874700623 CQOKQHGUUASEEP-LICLKQGHSA-N 448.946 6.563 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3ccccc3CC)c2)cc1 1874701372 PNRVNQQZQQIDGN-SFQUDFHCSA-N 430.500 5.528 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)c1ccc(-c2ccccc2)cc1 1875080237 FCUJWLIHXQAKFL-XDHOZWIPSA-N 449.462 6.377 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OC(=O)COc1ccccc1 1875096032 SSKPMJCYYUUDQG-RVDMUPIBSA-N 438.479 5.729 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)cc2)cc1 1875096968 NSBKNUJLUYTLNE-LICLKQGHSA-N 426.512 5.618 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1Br 1875097723 ZOGNJBRYEDBUCL-UKTHLTGXSA-N 441.365 6.320 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccs3)c([N+](=O)[O-])c2)cc1 1875106299 LUFFTTVIHOZZCU-UKTHLTGXSA-N 435.501 6.114 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)cc2)cc1Br 1875114132 LMCLRUSHBPSPJF-RIYZIHGNSA-N 445.353 6.230 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)c1[nH]c2ccc(C)cc2c1C 1875128874 ZCZBWAAEJIUWHV-SDNWHVSQSA-N 439.511 6.299 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)c3ccccn3)c(Br)c2)ccc1F 1875141614 MWKQHYMKNBTNNV-WEVVVXLNSA-N 440.268 5.407 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)ccc1OC(=O)C1CCC1 1875166054 NVCIPBUCCPQXEC-VQHVLOKHSA-N 449.330 6.002 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)Cc1ccc(C)c(C)c1 1875176934 RQITYFRIPHVJJK-JLHYYAGUSA-N 442.555 6.363 30 10 IKEE CCCCCCC[C@H](N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875669445 PCJPPEUKDIOHLE-LITSAYRRSA-N 447.619 6.566 30 10 IKEE CC(C)(C)OC(=O)NC1([C@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)CCCCC1 1889836252 RNJBQINTSMHCQQ-FQEVSTJZSA-N 443.588 5.543 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)[C@@H](c3ccccc3)C3CCCCC3)cc21 1890670447 COUSOKDCDGQZDP-VWLOTQADSA-N 446.591 5.927 30 10 IKEE CN(CC1CCN(C(=O)c2ccc(-c3cccc(Cl)c3)cc2)CC1)c1ncccc1C#N 1891272501 LCRDLVQKPZYVKG-UHFFFAOYSA-N 444.966 5.262 30 10 IKEE COCc1ccc(CN(C(=O)OC(C)(C)C)[C@](C)(C#N)COCc2ccccc2)s1 1902475981 PAXNOCZZTOPDGJ-HSZRJFAPSA-N 430.570 5.131 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@@H]1Nc1ccc(Br)c(C#N)c1 1924929308 URKITNYKQCLLNY-KBXCAEBGSA-N 434.378 5.206 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)CC12CCCC2 1949594804 WMGLSFNECZLMSM-FQEVSTJZSA-N 447.498 5.002 30 10 IKEE CN(C(=O)OC(C)(C)C)C1([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)CC1 1978442105 MVOWBCZGONNCIS-QGZVFWFLSA-N 435.952 5.373 30 10 IKEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 1999948600 ZZNLUKIJYIXFRJ-HJPURHCSSA-N 433.524 5.106 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)C12CCC2 2057184133 BQYVQJKIYQMBTK-RUZDIDTESA-N 441.572 5.562 30 10 IKEE CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2067959393 RKPVJHJXWHMHFS-CJFMBICVSA-N 449.636 5.874 30 10 IKEE CC1(c2nn([C@H](c3ccc(C4CCC4)cc3)C3CCC3)c(Br)c2C=NO)CC1 2079980459 DUDRVXKGSYMAAK-FQEVSTJZSA-N 442.401 6.162 30 10 IKEE Cc1cc(C)c([C@@H](C(C)C)n2nc(C3CCC3)c(C#N)c2I)c(C)c1 2080011643 CZQHRYCTMMGFGN-HXUWFJFHSA-N 447.364 5.798 30 10 IKEE Oc1cc(-c2cc(F)ccc2C(F)(F)F)nc2c(Br)c(C(F)(F)F)nn12 2080882004 DOBNRULZTYPKME-UHFFFAOYSA-N 444.104 5.041 30 10 IKEE CCSc1cccc(NCC2(F)CCN(C(=O)OCc3ccccc3)CC2)c1C#N 2162292771 CNOLVIBOVPRDCW-UHFFFAOYSA-N 427.545 5.223 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCCC)c2cc(F)ccc2Br)C1 2198483398 QVLLNCYMNCHHAM-SFHVURJKSA-N 441.385 5.490 30 10 IKEE CC(C)(C)OC(=O)NCCCc1cccc(Nc2cc(Br)ccc2C#N)c1 2204094478 KFMYKXKTTUNMBJ-UHFFFAOYSA-N 430.346 5.522 30 10 IKEE CN[C@H](CC#CC1CCCCC1)c1ccc(Br)cc1I 2207271819 KHBCZNGYPKMJQA-QGZVFWFLSA-N 446.170 5.288 30 10 IKEE C=CC[C@@](C)(CO)CNc1sc(Br)c(Br)c1Br 2216532007 JHFLFTPDFDLZOJ-LLVKDONJSA-N 448.018 5.022 30 10 IKEE C=CCCCCC[C@H](O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229099773 PVBZGDGURJGAIL-MOPGFXCFSA-N 426.395 5.382 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Cl)cc1[C@@H](N)C#Cc1ccccc1Br 2232083459 HKIKYZPILWHZGJ-KRWDZBQOSA-N 435.749 5.501 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)[C@H](C[C@H](C)CC)NC(=O)OC(C)(C)C 2235727224 KBDYIERRHHZDPS-AHRSYUTCSA-N 437.422 5.108 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cccc(Cl)c1Br 2259408809 UHKIMGQTGVKBRH-WBVHZDCISA-N 429.786 5.060 30 10 IKEE C=CC[C@]1(COc2ccc(Br)c(C)n2)CCCCN1C(=O)OC(C)(C)C 2272081278 PTCBOIJBWVUEOA-HXUWFJFHSA-N 425.367 5.267 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1CN(c1c(Br)cccc1C#N)C1CC1 2285182221 HAQFGVBAJHXBCV-QGZVFWFLSA-N 434.378 5.079 30 10 IKEE Cc1ccc([C@@H]2C(=C(O)c3ccco3)C(=O)C(=O)N2c2nc3c(C)cc(C)cc3s2)cc1 2296082567 LKMVSRQHPNWMJA-OAQYLSRUSA-N 444.512 5.441 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)c1cc(Br)c(Cl)s1 2296220065 UUBJTFSOUIKXBE-CYBMUJFWSA-N 433.596 5.629 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)CN(C(=O)OC(C)(C)C)[C@@H](C)CC 2296299725 YSXAGWKEEWZXSZ-PXNSSMCTSA-N 437.422 5.204 30 10 IKEE Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)OC(=Cc2c(F)cccc2Cl)C3=O)cc1 2296871179 BOVQZTNXAHKNPK-UHFFFAOYSA-N 444.867 5.171 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3cc(OCc4ccccc4F)ccc3C1=O)cn2C 2296871356 PSEBQWOVGNVVAW-UHFFFAOYSA-N 429.447 5.521 30 10 IKEE C=CCN1C(=O)C(=Cc2ccccc2OCCCOc2cc(C)ccc2C)SC1=S 2297347187 BPOOJJIGRJUPKQ-UHFFFAOYSA-N 439.602 5.539 30 10 IKEE CC(C)c1ccc([C@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2CCc2ccccc2)cc1 2297469899 KSLNEJOAAJBDPU-VWLOTQADSA-N 425.528 5.474 30 10 IKEE CC1(C)C(=S)N(c2ccccc2)C(=NC23CC4CC(CC(C4)C2)C3)[C@H]1N1CCCCC1 2297736625 BFXNDGFLRBLEOC-KSJZQUJJSA-N 435.681 6.082 30 10 IKEE C=CCC(CC=C)[C@@H](O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2301035330 WFJZVXQNZJCHCD-QHCPKHFHSA-N 428.617 5.065 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nncn2N=Cc2c(Cl)ccc(Cl)c2Cl)cc1 2318581981 GEULAXJYQXLKDN-UHFFFAOYSA-N 442.715 5.321 30 10 IKEE Cc1c(OCc2c(F)cccc2Cl)ccc2c1OC(=Cc1ccc3c(c1)OCO3)C2=O 2321802244 BDKCAXGHYTZNIH-UHFFFAOYSA-N 438.838 5.711 30 10 IKEE COc1cccc(C(=O)C=Cc2cccc(OC)c2OCc2c(Cl)cccc2Cl)c1 2322377413 FPCJLZMSAXCBON-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccccc2Cl)c1OCc1ccc(F)cc1 2322436739 LBZSZLKIGPZYGA-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1cccs1)C2=O)c1cccc(Br)c1 2322930229 DFHIIADWWMPWSG-UHFFFAOYSA-N 427.275 5.346 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2ccccc2OCc2ccc(F)cc2)cc1Cl 2322969188 NISOOHFUCCPJTF-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OCC(=O)Nc3ccccc3)c2)cc1C(C)C 2323232072 WVRUKACXRCAHGA-UHFFFAOYSA-N 443.543 6.041 30 10 IKEE O=C(C=Cc1ccc(Cl)cc1Cl)Oc1ccc2c(c1)OC(=Cc1cccs1)C2=O 2323461536 WRMFWCPLWAAKJU-UHFFFAOYSA-N 443.307 6.290 30 10 IKEE Cc1cccc(COc2ccc(C=CC(=O)c3cccc(Cl)c3)cc2Br)c1 2323766712 MCTRNZXCXLVIDA-UHFFFAOYSA-N 441.752 6.886 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1 2323791709 XSBGCMKWQYMFOR-UHFFFAOYSA-N 442.511 6.353 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Br)c1OCc1cccc(F)c1 2323813390 FXHQUPTYFUSIEG-UHFFFAOYSA-N 441.296 6.072 30 10 IKEE Cc1ccc(-c2csc(NN=Cc3ccc(OCc4ccccc4)c(Cl)c3)n2)cc1 2323858507 FQJDETRJQGXJSN-UHFFFAOYSA-N 433.964 6.797 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCC(=O)OCC(C)C 2323895677 MJXMKTUGVVJRIQ-UHFFFAOYSA-N 437.319 5.476 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1C 2323915021 YHYMDJLAQMXNAN-UHFFFAOYSA-N 429.516 5.616 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OCc1ccc(Cl)c(Cl)c1 2323985336 DUMZXTVJFATJFD-UHFFFAOYSA-N 445.317 6.925 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2cc(Cl)c(OCC)c(OC)c2)cc1 2324197262 AZPGPBCDXSBXRB-UHFFFAOYSA-N 430.972 6.993 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2324373375 KNSNLZVUSDTAIT-MRXNPFEDSA-N 433.891 5.671 30 10 IKEE CCCOC(=O)COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1Br 2324449080 OESMUSNJJNSXKX-UHFFFAOYSA-N 431.326 5.294 30 10 IKEE Cc1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccccc2F)C3=O)c1C 2324499189 MPLLOJYOBRWZPT-SFHVURJKSA-N 445.490 5.773 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OCCCOc4ccc(Cl)cc4)c3C)C2=O)c1 2324561373 VJSUBNZDSGUTOJ-UHFFFAOYSA-N 434.919 6.421 30 10 IKEE COc1ccc(OCCCOc2ccc3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1 2324697317 XGAKXMFQUGTADF-UHFFFAOYSA-N 444.527 6.283 30 10 IKEE Cc1cc(OCC(=O)NC2CCCCC2)cc2c1C(=O)C(=Cc1ccccc1Cl)O2 2325324463 GUMYWZHNANASLD-UHFFFAOYSA-N 425.912 5.092 30 10 IKEE O=C(C=Cc1cccc(OCc2ccccc2)c1)C(=O)Nc1ccccc1C(F)(F)F 2325669488 FAIVNIVWJMRXEL-UHFFFAOYSA-N 425.406 5.505 30 10 IKEE CCCOc1ccc(C=CC(=O)C(=O)NC(c2ccccc2)c2ccccc2)cc1OCC 2325716866 UZGGPMZHLLRFFN-UHFFFAOYSA-N 443.543 5.362 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)ccc2OC)cc1 2325721244 RDELMQJWBREYEY-UHFFFAOYSA-N 447.443 5.117 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2OC)cc1OC(=O)CCc1ccccc1C 2325742925 RBFFAXWWUDZBKN-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE CCSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1sccc1C 2325912179 ZIOVMEBDFGHJMJ-UHFFFAOYSA-N 427.382 5.528 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1cccc(OC)c1OC 2326446231 HURMPINIUQOCGN-UHFFFAOYSA-N 438.597 5.429 30 10 IKEE CCOc1cc(C=Nn2c(CC)nnc2SCc2cccc3ccccc23)ccc1OC 2326637488 PDEGGNPCEHZRQL-UHFFFAOYSA-N 446.576 5.576 30 10 IKEE Cc1ccc(OCCCc2nnc(SCCc3ccccc3)n2N=Cc2ccco2)cc1 2327191901 LSOIMGMQKQKIPD-UHFFFAOYSA-N 446.576 5.408 30 10 IKEE C=C(C)CSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1cc(C)ccc1O 2327272490 PWCRPRYNBWTNRV-UHFFFAOYSA-N 436.581 5.347 30 10 IKEE Cc1ccccc1CSc1nnc(COCc2ccccc2)n1N=Cc1cccs1 2329312383 SANJKQAHASILQB-UHFFFAOYSA-N 434.590 5.539 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3ccccc3)nnc2[C@H](C)c2ccccc2)c1 2330103855 NNVJIORBLBUJNJ-HXUWFJFHSA-N 442.588 6.003 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2ccccc2C)cc1 2330647921 MIGKWQPFLSSUEK-UHFFFAOYSA-N 441.560 5.175 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)c(F)c3F)cc2)cc1 2330824674 OAXUYCDGBPCGJU-UHFFFAOYSA-N 438.445 6.562 30 10 IKEE COc1cccc(C=Nn2c(CC(C)(C)C)nnc2SCc2cccc(Cl)c2)c1 2330873227 WHSJIWSTVIMYQN-UHFFFAOYSA-N 428.989 5.703 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C2CCCC2)c(Cl)c1)c1ccc(Br)cc1 2330888662 CPUNQXPDNIKVFE-UHFFFAOYSA-N 433.729 6.094 30 10 IKEE Oc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2[C@H]2CCCO2)cc1 2330980130 URURJVOPOIEZJT-JOCHJYFZSA-N 430.533 5.163 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)c(F)c2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 2331029127 CJYMFCWNHYDMEH-UHFFFAOYSA-N 443.789 5.642 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C2CCCC2)c(Br)c1)c1cccc(Cl)c1 2331123817 AKQWOTZISUFYTJ-UHFFFAOYSA-N 433.729 6.094 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)cc([N+](=O)[O-])c1OC(=O)C1CCCC1 2331150477 LHIGZXPCNFZKEN-UHFFFAOYSA-N 443.883 5.639 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(F)c(C)c2)cc1OC 2331331896 GZTBJMBXPNERNW-UHFFFAOYSA-N 432.919 6.568 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)C3CCC3)c(Br)c2)c1 2331386839 SLZLVIQELBYLEP-UHFFFAOYSA-N 445.309 5.068 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1ccc(C)cc1 2331502916 KFMISMDWOAAPMB-UHFFFAOYSA-N 428.528 6.632 30 10 IKEE Oc1ccc(Cl)cc1C=Nn1c(SCc2ccccc2Cl)nnc1C1CCC1 2331530263 NHPVUMBDRHXYEK-UHFFFAOYSA-N 433.364 5.733 30 10 IKEE Cn1cc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CCC2)c2ccccc21 2331539335 QAVSXYMKSBCCTA-UHFFFAOYSA-N 435.984 5.865 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)cc1Cl 2331636749 VHRJLLKSMPEHSG-UHFFFAOYSA-N 441.738 6.647 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)cc2OC)cc1OC 2331730057 OFQYZNBODGZVLE-UHFFFAOYSA-N 426.509 5.484 30 10 IKEE CCCCCOc1ccccc1C=NNc1oc(-c2ccc(Br)o2)nc1C#N 2331936628 WRABMLGGMAJXNG-UHFFFAOYSA-N 443.301 5.584 30 10 IKEE CC1(C)OB(c2cc(Cl)cnc2Nc2ccc(Br)cc2Cl)OC1(C)C 2339405487 YEONIHYCHKWFMP-UHFFFAOYSA-N 443.965 5.194 30 10 IKEE CCCc1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c(Br)c1 1984354 UTOZPCSAGKOCTG-CYBMUJFWSA-N 447.398 5.477 30 10 IKEE C=C(C)CN1C(=O)[C@@H](C)Oc2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc21 12167998 OLUOVNOPXLXJGW-LJQANCHMSA-N 426.516 5.147 30 10 IKEE COc1ccc(OC)c(/N=C2\SCCN2C(=O)C(c2ccccc2)c2ccccc2)c1 13137996 XKBQTJFFZKWTAY-QPLCGJKRSA-N 432.545 5.099 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2c[nH]c3ccccc23)cc1 21220126 QLUNPKXIYZUSPC-SLQAJWMNSA-N 449.554 6.546 30 10 IKEE CCc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(C)c(Br)c2)cc1 21223154 FOQBBRFEHHWOBC-RTBURBONSA-N 438.365 5.324 30 10 IKEE CCOc1cc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(Cl)c(Cl)c2)C3)ccc1O 21236340 XIUHSJGPQZCTLQ-LSDHHAIUSA-N 446.330 5.102 30 10 IKEE CCn1nc(C)c(CCN/C(=N\C(=O)c2ccc(C)cc2)Nc2ccc(C(C)C)cc2)c1C 32973292 JJMZCXBMYAUZLX-UHFFFAOYSA-N 445.611 5.392 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 33365635 RJDNCHVKDVYYHL-NHDPSOOVSA-N 425.267 6.137 30 10 IKEE COc1ccc(C(=O)/C=C\c2ccc(OC(=O)/C=C\c3ccccc3)c(OC)c2)c(OC)c1 34955174 MNSCIUQKCIEYPT-NDNZGNGMSA-N 444.483 5.227 30 10 IKEE C/C(=C1/S/C(=N/c2cccc(C)n2)N(C2CCCCC2)C1=O)c1ccc(Cl)cc1 39863689 NLWABGOMPYKDCJ-CPLYZHDXSA-N 425.985 6.370 30 10 IKEE Cc1cc(/C=N/c2ccc(Cl)cc2Cl)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 59248472 LXUIIKLQOBDNAM-YSURURNPSA-N 431.275 5.548 30 10 IKEE CCOc1ccc(/C=C2\C(=O)C(C(=O)OC)=C(C)N2c2ccc(Cl)c(Cl)c2)cc1 59566348 XNROHOPJIBWLOZ-YBFXNURJSA-N 432.303 5.269 30 10 IKEE C=CCn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nnc1-c1ccc(F)cc1 59795725 RSBJDYWAZUTRDW-UHFFFAOYSA-N 444.535 5.727 30 10 IKEE CCCCCCCOc1cccc(NC(=O)CNc2ccc(C(=O)N(CC)CC)cc2)c1 100098721 OPMUZAUEIYQBCX-UHFFFAOYSA-N 439.600 5.568 30 10 IKEE CCCCCCCOc1cccc(NC(=O)[C@@H](CC)Oc2ccccc2[C@H](C)CC)c1 100260731 URNCFDVOIJJMDA-PXDATVDWSA-N 425.613 7.345 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)S/C1=N/c1cccnc1 101084367 GXXOTJSJPWMQFJ-RAVUSLCOSA-N 440.322 5.338 30 10 IKEE CCCCCCCOc1c(Cl)cc(C(=O)Nc2ccc(OC)cc2OC)cc1Cl 101138392 FCVFJMZUOOTYKY-UHFFFAOYSA-N 440.367 6.612 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)/C(=C(\O)c4ccc(C)o4)[C@H]3c3ccc(C)o3)sc2c1 102693924 FBLPMMQKFOSGMI-GOBJLOIFSA-N 448.500 5.288 30 10 IKEE Cc1cc(C)c2nc(N3C(=O)C(=O)/C(=C(\O)c4ccccc4)[C@H]3c3ccccc3)sc2c1 103222122 RLAGPHLQUNLSAP-LAGVDGIJSA-N 440.524 5.539 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2cccc(C)c2C)cc1 169925053 VBHROIDYMYLZLA-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2cccc(C)c2)cc1 169969272 MPZJLZVPZPDAJF-VWLOTQADSA-N 441.527 5.793 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccc(Cl)cc2)c1 169969707 XOMZIVKAOFDFPR-QHCPKHFHSA-N 431.919 6.048 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccc(F)cc2F)c1 169971310 GOSBGTQEYUJYRU-JOCHJYFZSA-N 437.417 5.504 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(OC)cc3)[C@@H]2c2cccc(C)c2)cc1 169972003 GEXMXOXYLPBGAF-RUZDIDTESA-N 441.527 5.345 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2cccnc2)cc1 170003718 NUJRNVUJXXWLBZ-RUZDIDTESA-N 440.543 5.481 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2cccnc2)cc1 170006079 RCQXSNOQBGAYHG-QFIPXVFZSA-N 432.907 5.389 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2ccccc2)cc1 170029073 PQRJXFAMBMSJLA-AREMUKBSSA-N 449.506 6.021 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccc(F)cc2)cc1 170060938 LTXZRCXRQSQFLG-JOCHJYFZSA-N 437.417 5.449 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2C[C@H]2CCCO2)c1 170143552 XQYYKBJISRKUFR-QPPBQGQZSA-N 447.575 5.358 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccs2)cc1Cl 170155759 GZRLXFQOFZMMOQ-IBGZPJMESA-N 443.883 5.332 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cccs1)c1ccc(Br)cc1 170163837 KQXTUOARWUHXMB-GOSISDBHSA-N 446.366 5.422 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@H]1c1cccs1 170165517 NPDDDQCOYPWGLH-OAQYLSRUSA-N 441.593 5.823 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccnc2)cc1 170192937 IWMMOCPFGYRQJZ-QHCPKHFHSA-N 446.503 5.022 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1ccccc1 170228920 SQSWMQCSBKWFBT-OSPHWJPCSA-N 425.484 5.101 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@@H]1c1ccc(C(C)C)cc1 170245187 NVZXULHIICRYGU-QHCPKHFHSA-N 435.564 5.814 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(Cl)c(Cl)c1 170246496 FMMGAWIPBWWXIB-NRFANRHFSA-N 444.358 5.861 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccc2F)cc1C 170247978 AENQYFGBWFGGLZ-QHCPKHFHSA-N 449.453 5.455 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1F)c1ccc(Cl)c(Cl)c1 170250551 PWIRIYATEOBDCW-LJQANCHMSA-N 446.261 5.504 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2F)cc1C 170250628 WFXJPUMIBAADQF-QHCPKHFHSA-N 449.478 5.294 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2F)c1 170251547 AOMYCUJMBHZIFO-QHCPKHFHSA-N 437.511 5.524 30 10 IKEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(Cl)cc4)[C@H]3c3ccco3)ccc2O1 170286748 FLPMSBCKUPPCNH-ASSNKEHSSA-N 435.863 5.039 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccco1 170287971 WBPCSYSRDDCPBX-IBGZPJMESA-N 444.270 5.378 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)(C)C)c2)[C@H]1c1ccco1 170294173 GLUYWEDDLXAJRA-OAQYLSRUSA-N 425.525 5.354 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@@H]2c2ccc(C)o2)c1 170300612 PPKGHRODCVWDJA-XMMPIXPASA-N 445.515 5.722 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 170346019 OVZYNEBTGJFPCC-QHCPKHFHSA-N 442.515 5.171 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2ccc(Nc3ccccc3)cc2)c1 170460698 CDEFSDOBMBGXPH-XMMPIXPASA-N 426.516 5.864 30 10 IKEE CC(C)(C)c1ccc(/C=N/N=C2/S/C(=C/c3cccs3)C(=O)N2Cc2ccco2)cc1 210541716 QYIHQFXSMGJSFQ-JZONJGELSA-N 449.601 6.145 30 10 IKEE C=C1CC[C@@H](O)C/C1=C/[C@H](O)[C@]1(O)CCC[C@@]2(C)[C@H]([C@@H](C)/C=C/[C@@H](C)C(C)C)CC[C@@H]21 253590891 KXILCRGOVVVVRF-PQVZQDECSA-N 430.673 5.807 30 10 IKEE CSc1ccc(/C=C/C(=O)N2C(=Nc3ccc(C)cc3)SCc3ccccc32)cc1 254853728 HYGJKYQQDMLYKN-WBHFTZCDSA-N 430.598 6.698 30 10 IKEE Cc1cc(O)nc(NN=Cc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)n1 263630523 GRWNSHYURHDWEL-UHFFFAOYSA-N 440.503 5.095 30 10 IKEE CCOc1cc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccc(C)c2)ccc1OC 526603690 GWZCEICYWMNOLB-VWLOTQADSA-N 440.499 5.331 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2cccs2)[C@H]1c1cccc(C(F)(F)F)c1 526606228 JQUMVDCWERKOCW-LJQANCHMSA-N 426.419 5.696 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(OC)cc2)c1 526607289 UQFCRSWVYXNUBA-XMMPIXPASA-N 426.472 5.023 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(O)c1 526609554 VXKCUJZZSPYZQW-NRFANRHFSA-N 437.282 5.628 30 10 IKEE CCCCCCCCCCCCc1ccsc1-c1ccc(-c2ccc(OC)cc2)s1 607716725 NCFUIMVUGKSQNG-UHFFFAOYSA-N 440.718 9.616 30 10 IKEE C[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Br)c2ccccc21 698481784 KHCUAJJZWGAAKV-IVZQSRNASA-N 427.342 6.117 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 698897681 ZLEJKVZEBTWMEV-KOSHJBKYSA-N 429.561 5.276 30 10 IKEE O=C1/C(=C\c2cccn2-c2ccccc2)SC(=Nc2ccccc2)N1C1CCCCC1 1084591269 ZLKMSFINXZCURY-YUPKMSNSSA-N 427.573 6.414 30 10 IKEE N#Cc1ccccc1NC(=O)Oc1ccc(CNC(=O)/C=C/c2ccc(Cl)cc2)cc1 1858902061 URQYXYZRJRKJAL-NTEUORMPSA-N 431.879 5.152 30 10 IKEE CCCCCCCCNC(=O)[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)c1ccccc1 1861669037 IROSPSHEWWXJCZ-WMZHIEFXSA-N 445.003 5.442 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccccc2C)cc1 1862389832 OUBFGSMNNZCOKY-DEOSSOPVSA-N 435.564 5.341 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2cccc3ccccc23)cc1 1862397784 SCVHOFIYYOKXCQ-AVRWGWEMSA-N 443.543 5.142 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(F)cc1 1862457692 VKUDIJZTXKQPLA-ICNNEYJISA-N 447.428 5.400 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCc2ccc(C)cc2)cc1 1862474776 UVWABIUQLNCALG-AREMUKBSSA-N 439.555 5.687 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2ccc(C)cc2)cc1 1862475346 JNDYDLIITNOPFC-RUZDIDTESA-N 425.528 5.699 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2ccc(C(C)C)cc2)c1 1862493476 QKJNISPCBOPJRD-DEOSSOPVSA-N 435.564 5.168 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2cccc(O)c2)cc1 1862531846 DBHMVMUNICRVSQ-RUZDIDTESA-N 441.527 5.166 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2cccc(Cl)c2)cc1 1862535640 IEZFYJVTZRFIAY-HSZRJFAPSA-N 437.967 6.204 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccccc1[N+](=O)[O-] 1862547085 MERWESUVMZTSNT-QHCPKHFHSA-N 448.519 5.242 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2cc(C)ccc2C)cc1 1862589681 QJRCEGMQCJDNLF-XMMPIXPASA-N 427.500 5.096 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccc(O)cc1)c1cccc2ccccc12 1862650206 PVHCTHRNIUKTOQ-RUZDIDTESA-N 441.527 5.847 30 10 IKEE CCOc1cc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2[C@H](C)CC)ccc1O 1862656205 YUWGOCSBJDZBBI-GYCJOSAFSA-N 445.515 5.321 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CCCC2)cc1OC 1862669308 SRHVYNUEYHZUQQ-DEOSSOPVSA-N 449.547 5.348 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1cccc(OCC)c1 1862704010 OMHRAHTUCHXIOR-HSZRJFAPSA-N 437.536 5.253 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccc2ccccc2c1 1862716189 AEFOCDQJTGRURF-OAQYLSRUSA-N 437.417 5.599 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(Cl)cc3C)C2=O)cc1 1862893956 ZLNPPFYIALQMFT-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C(C)(C)C)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862905273 FEFYIHZHEMDFCC-UHFFFAOYSA-N 435.527 5.561 30 10 IKEE CCCCc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccccc3F)C2=O)cc1 1862919064 UEETVAPLGLXQAW-UHFFFAOYSA-N 439.490 5.437 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)c2cc(O)c3cccc(Cl)c3n2)c1 1866497721 LSFQZAPLORMJLX-UHFFFAOYSA-N 441.874 5.257 30 10 IKEE CCCC[C@@H](NC(=O)C[C@H](c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1ccc(C#N)cc1 1866724573 LFTWKIVMPIYUBY-LOSJGSFVSA-N 431.580 5.373 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)c2ccc(Cl)cc2Cl)n(-c2ccc(C)cc2)n1 1870001319 YUZNMSZDWQSHCZ-UHFFFAOYSA-N 442.350 5.313 30 10 IKEE CC(C)c1ccc(/C=C/C(=O)Nc2c(C#N)nnn2-c2ccc(Cl)c(Cl)c2)cc1 1870143213 CEOZNXHZXRVIIB-BJMVGYQFSA-N 426.307 5.221 30 10 IKEE CCCN(CCC)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1Cc1ccc(F)cc1 1870348350 USAVTRPCLSHDHP-UHFFFAOYSA-N 447.554 5.108 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2F)c(CN2C[C@H](C)C[C@@H](C)C2)cc1=O 1870416982 XXDIZMHYTNFFHE-FGZHOGPDSA-N 442.619 5.863 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCCCCC)c(=O)cc1CN(CC)CC 1870420743 KXSCFOGCYFLMOJ-UHFFFAOYSA-N 436.637 5.163 30 10 IKEE CCCCCCCOc1cn(C[C@H]2CCCO2)c(CNc2cc(Cl)ccc2C)cc1=O 1870833833 VVZBEMMLBWHWMY-JOCHJYFZSA-N 447.019 5.950 30 10 IKEE CCCCCCCOc1cn(Cc2ccco2)c(CNc2ccc(F)c(F)c2)cc1=O 1870837737 WKHNAXXEKLACGF-UHFFFAOYSA-N 430.495 5.729 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)cc2Cl)c(=O)cc1CNc1cccc(F)c1 1871249568 YGYXJKXNCQEAFN-UHFFFAOYSA-N 433.310 5.671 30 10 IKEE CCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(F)c(Cl)c1 1871251822 YGXXYAXFKKWRSV-UHFFFAOYSA-N 425.891 5.114 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc4c3CN(CCC3=CCCCC3)CO4)C2=O)cc1OC 1871349450 MVLVPCYUHSZNLM-MYYYXRDXSA-N 447.531 5.362 30 10 IKEE Cc1cc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)ccc1[N+](=O)[O-] 1871373604 OTZQYTOQGWKFOL-NHDPSOOVSA-N 449.846 5.700 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4c(F)cccc4Cl)cc(C)c3C2=O)cc1 1871375727 ZYQLPUVEMVDAGL-JAIQZWGSSA-N 438.838 5.632 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O 1871377974 OGCAPRBCLACVBM-MTJSOVHGSA-N 441.321 5.941 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc(OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2C)C1=O 1871382161 MHVXTDUDUDVFNU-RKJRYWECSA-N 447.468 5.508 30 10 IKEE CC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2sccc2C)C3=O)c1 1871390082 DQHLRZARVNLFHG-NDENLUEZSA-N 434.469 5.126 30 10 IKEE CCCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2)C3=O)c1 1871390718 ABBQRTLQJAFGBA-HAHDFKILSA-N 442.467 5.536 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(O)c3CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)C2=O)cc1 1871394191 JPRRBVSAXKELKA-PAHWYTHNSA-N 433.548 5.418 30 10 IKEE Cc1c(OCCCOc2ccccc2)ccc2c1O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871398685 YMUKKHUYSUNCBG-ITYLOYPMSA-N 428.528 6.583 30 10 IKEE Cc1cc(OCCCCOc2ccccc2)cc2c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O2 1871403074 DJMSPNHWFBPRPW-JLPGSUDCSA-N 445.471 5.757 30 10 IKEE CCCCCCCCCCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccco1)C2=O 1871427237 UFPQXURKQCANQR-KQWNVCNZSA-N 440.536 6.267 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccc(F)c(F)c3F)ccc2C1=O 1871443271 MTIPDOMXXRIOJR-JMIUGGIZSA-N 439.389 5.046 30 10 IKEE CCCCCCCCN=c1nc(N(CCC)CCCC)[nH]c(=Nc2cccc(Cl)c2)[nH]1 1871647982 SOXCJHGVUDRDOD-UHFFFAOYSA-N 447.071 5.901 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 1872762909 ZHJAQOUHUCKBNO-YPHWWSSASA-N 443.355 6.405 30 10 IKEE COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3cccc(Br)c3)cs2)cc1OC 1872763821 WBPCHRAZZPKGRE-OAHLLOKOSA-N 443.322 5.080 30 10 IKEE COc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3cccc(Cl)c3)cs2)cc1 1872767071 SCOVSRRQEKEZJL-IBGZPJMESA-N 426.925 5.508 30 10 IKEE CC(C)c1ccc(O[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 1872772837 IGRRPPDPFJNVFR-JXFKEZNVSA-N 448.544 5.348 30 10 IKEE CCc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc1 1872776613 SYUPLPRPLRMGLG-HSZRJFAPSA-N 432.589 6.531 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)/C=C/c2cccc(Cl)c2)n1 1872787033 ZHHYKLLARBOAKN-IPLHWJFFSA-N 443.355 6.324 30 10 IKEE CCCCCCCCNc1ncnc2c1ccc(=O)n2-c1ccc(Br)c(C)c1 1873538098 WXYNVHPHYJMYNQ-UHFFFAOYSA-N 443.389 5.624 30 10 IKEE C=C(C)CSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1ccc(C)cc1 1874206177 OFADJTNYZQUYFS-BHGWPJFGSA-N 447.391 6.023 30 10 IKEE C=CCSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1cccc(C)c1 1874206824 VPALWLFMEQIXAM-FSJBWODESA-N 433.364 5.633 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccccc1C 1874230439 JKTFDCSEJBLBBJ-WYMPLXKRSA-N 426.973 5.678 30 10 IKEE CCCOc1ccc(/C=N/n2c(CCc3cccc4ccccc34)nnc2SC)cc1 1874233510 MSRKAAOIMYYKLV-NLRVBDNBSA-N 430.577 5.609 30 10 IKEE CCOc1c(/C=N/n2c(CCc3cccc4ccccc34)nnc2SC)cccc1OC 1874233511 MVRPXJZYPIUQBL-YZSQISJMSA-N 446.576 5.228 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(OCC)cc2)n1/N=C/c1ccc(F)cc1F 1874235384 GEYZNCLGCGDOEN-BRJLIKDPSA-N 444.507 5.084 30 10 IKEE Cc1ccccc1CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccco1 1874242338 AFJPAMAXQQFZEX-JVWAILMASA-N 446.620 6.113 30 10 IKEE Fc1ccccc1CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccc[nH]1 1874243422 FLBBNFGXOCHFSW-RWPZCVJISA-N 449.599 5.679 30 10 IKEE Cc1ccccc1CSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccco1 1874262589 GTDMICHYOTUTSW-ZMOGYAJESA-N 438.940 5.586 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccc(C(C)C)cc1 1874264578 FWUGEWXDPBFVDH-ZVHZXABRSA-N 428.989 6.018 30 10 IKEE CSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(Cl)c(Cl)c1 1874268275 PGHQVWQUPJULTQ-ZMOGYAJESA-N 427.360 5.933 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2ccccc2F)cc1C 1874357643 RXNWPSVGDIYULD-LQKURTRISA-N 444.579 6.108 30 10 IKEE CCCSc1nnc(-c2cccs2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874423970 NUNPROLQSJENAS-LFVJCYFKSA-N 434.590 5.970 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(CC(C)(C)C)n2/N=C/c2ccccc2)cc1C 1874437034 YCPOAPLPYOJBIC-MFKUBSTISA-N 435.597 5.097 30 10 IKEE COc1ccc(OC)c(/C=N/n2c(SCc3ccccc3C)nnc2C2CCCC2)c1 1874452069 CAEVCNIWKRJACY-MFKUBSTISA-N 436.581 5.436 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2cccc(F)c2)nnc1C(F)(F)F 1874461019 SBHSPOHZTWRGKH-BRJLIKDPSA-N 436.434 5.175 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(SCc2ccccc2F)nnc1-c1ccco1 1874466203 BWGZISRIHHEGGB-AFUMVMLFSA-N 436.512 5.639 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1cccc(F)c1 1874485596 FBBXHKJPROXGOJ-BHGWPJFGSA-N 437.371 6.196 30 10 IKEE CC(C)COC(=O)CSc1nnc(C2CCC2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874497305 DRDRBUPHECAYHJ-LSFURLLWSA-N 441.384 5.026 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2sccc2C)c(C)c1 1874498580 PPKNAZAVDRTXQH-FSJBWODESA-N 439.610 5.145 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(O)cc1O 1874510909 BDTFTUPNWMYIAI-LSHDLFTRSA-N 437.352 5.123 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2cccc3ccccc23)c1 1874516355 SUKCZHUUPKGQRQ-CVKSISIWSA-N 441.560 5.230 30 10 IKEE CCN(Cc1ccccc1)c1ccc(/C=N/n2cnnc2SCc2ccc(C)cc2)cc1 1874534803 BRHCOYWZHPBZED-OGLMXYFKSA-N 441.604 5.788 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl 1874577060 URFOCFIGWRSOCG-PKNBQFBNSA-N 447.745 7.131 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC)c1OCc1ccc(C)cc1 1874584750 DWOKYVZFYVUBES-JQIJEIRASA-N 444.571 6.785 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccccc1OCC(=O)Nc1nccs1 1874589886 IAEZRIVSJBLXDL-ZRDIBKRKSA-N 434.561 5.663 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccccc1OCC(=O)Nc1ccc(C)cc1 1874591951 KGXUTDRWTULCFV-UKTHLTGXSA-N 435.907 5.571 30 10 IKEE COC(=O)c1ccc(COc2cc(/C=C/C(=O)c3cccc4ccccc34)ccc2OC)o1 1874597693 ZVEBFCKHHNIIJH-JLHYYAGUSA-N 442.467 5.703 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccccc1C 1874606251 DUUYLFDLTUSJJI-YRNVUSSQSA-N 427.327 6.786 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(OC)c1OCc1cccc(C)c1 1874609453 RURTYFQIYGLCNN-XNTDXEJSSA-N 428.528 6.216 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc([N+](=O)[O-])c1OCC 1874628154 OIVMOAWBDDVEBK-XNTDXEJSSA-N 433.460 6.081 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(OC)c(Cl)cc2OC)cc(OC)c1OCCC 1874631167 NTTAWCIJJSVWRA-MDZDMXLPSA-N 430.928 5.779 30 10 IKEE CCOc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C)cc3C)c2)cc1 1874701838 BFMDMWIMERFGNB-OQLLNIDSSA-N 430.500 5.583 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc1OC(=O)CC1CCCCC1 1874717756 BQJDOLWUQPMEKA-DHZHZOJOSA-N 442.939 6.129 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(F)cc3)c2)c2ccccc12 1874718490 HMVTUYCBMZIFJV-RVDMUPIBSA-N 440.470 6.032 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)cc2)c(C)c1 1875096982 OGRDNAHMPNWWTI-XNTDXEJSSA-N 440.539 6.063 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)ccc1OC(=O)c1cccc(Cl)c1 1875101738 YYYAFJXLYYIAEI-ZRDIBKRKSA-N 436.891 5.863 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(OC)c1OC(=O)Cc1cccs1 1875112143 ZBUCXUSPXSEIIQ-MDZDMXLPSA-N 442.920 5.463 30 10 IKEE C[C@@H](C(=O)Oc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1)c1ccccc1 1875114109 DMUGTEKQRVKECL-OKACTXMXSA-N 435.317 6.054 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)cc1 1875117708 IPLVHMKDNYWGLK-VECWOOENSA-N 432.903 5.954 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(C(F)(F)F)cc2)cc1)c1ccc(Cl)cc1 1875123311 ZOUCDGXTCWBTQK-LZWSPWQCSA-N 430.809 6.474 30 10 IKEE Cc1cccc(C)c1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1[N+](=O)[O-] 1875127053 MKEVUNDTGMLVIO-ACCUITESSA-N 431.444 5.092 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc3c(c2)OCO3)cc1)c1ccc(Cl)c(Cl)c1 1875134230 OFBIPDCMKOKOFQ-YCRREMRBSA-N 441.266 5.837 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)c1ccccc1 1875134850 OFEDUGGHYVTGDT-ACCUITESSA-N 434.919 6.471 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(F)c(F)c1F 1875136376 LTHURJDIUXUNHF-VZUCSPMQSA-N 426.390 5.536 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)Cc1ccc(F)cc1 1875136961 OUQCEUINWJWCAK-XNTDXEJSSA-N 444.502 5.915 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)c(Cl)c2)c1 1875139407 HMEORCBKTIMUBV-JXMROGBWSA-N 449.890 6.289 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)c3cc4ccccc4n3C)c(Cl)c2)ccc1F 1875141859 YUVGHZUFOIZTJX-YRNVUSSQSA-N 447.893 6.395 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(F)c3)c([N+](=O)[O-])c2)cc1 1875157049 QOWBZWNVPATCDS-WUXMJOGZSA-N 433.435 5.973 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)ccc1OC(=O)CC(C)C 1875165927 HGFAAEKFHNJFNH-FNORWQNLSA-N 437.319 5.858 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)ccc1OC(=O)C1CC1 1875166091 POENQUVIDSHKOF-XBXARRHUSA-N 435.303 5.612 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1c(F)cccc1Cl 1875179079 RMPFCPOPLKCYJQ-DHZHZOJOSA-N 438.882 6.220 30 10 IKEE O=C(C1=CCCCCC1)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875663484 XEICBVCSYRTBDH-LJAQVGFWSA-N 442.555 6.338 30 10 IKEE C=CCCCCSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1885304813 CGYTXXADZCUANG-QHCPKHFHSA-N 439.577 5.458 30 10 IKEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)Nc3ccc(SC(F)(F)F)cc3)n[nH]2)c1C 1889759207 LDFFBKZSAINUJQ-UHFFFAOYSA-N 435.475 5.330 30 10 IKEE COc1ncc(Br)c(C)c1[C@@H](C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1891464264 ALCFWUPQFKXDHZ-QGZVFWFLSA-N 446.345 5.163 30 10 IKEE C=CC1(CSC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)CCC1 1892328855 RUJXYLNKHJDPCN-JOCHJYFZSA-N 437.561 5.068 30 10 IKEE CC1(C)OB(c2ccc(OCCN(Cc3ccccc3)Cc3cccs3)cc2)OC1(C)C 1915409509 CTQUGLQDJKMODF-UHFFFAOYSA-N 449.425 5.129 30 10 IKEE N#Cc1cccc2c1[nH]c(=S)n2Cc1scc(Br)c1Br 1925026683 QSCOLSWLUHWLSO-UHFFFAOYSA-N 429.162 5.205 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2016843485 VNIYVIIZVIBGPZ-VUMVONDWSA-N 427.545 5.110 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@H](C#N)[C@]1(C)CCCN1C(=O)OC(C)(C)C 2020803817 VYRZHPYDGYDGPY-JPYJTQIMSA-N 433.524 5.249 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc1 2033849209 WPPOLTZLXKLFPU-SUOOXSEHSA-N 431.580 5.826 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c1cccc(F)c1)C2 2041701103 CRDQXHZCQIRNAU-NHKMSHSESA-N 445.535 5.391 30 10 IKEE Cc1cc(C)c([C@H](n2nc(C(C)(C)C)c(C=NO)c2Br)C(C)(C)C)c(C)c1 2079843152 DKCHSAABRILCFH-IBGZPJMESA-N 434.422 6.312 30 10 IKEE CCOc1ccc([C@H](n2nc(C3CC3)c(C#N)c2I)C(C)(C)C)cc1 2080095077 OMKKQAATURGDAH-SFHVURJKSA-N 449.336 5.271 30 10 IKEE COc1ccc([C@H](n2nc(C(F)(F)F)c(C#N)c2Br)C(C)(C)C)cc1F 2080119473 LLMAHFOEJACCTM-AWEZNQCLSA-N 434.231 5.319 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@H](C#N)c1cc(Cl)cc(Br)c1 2088227723 MKIYZFMBMQGEPW-GOSISDBHSA-N 441.797 6.627 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)cc1Br)NCC 2088520834 YPXNXDCZKTZFSF-QZTJIDSGSA-N 445.829 5.483 30 10 IKEE C=CCC[C@@H](C)[C@H](NCCC)c1cc(I)ccc1Br 2102099720 FXSLTLJZZSUCEJ-WBMJQRKESA-N 436.175 5.697 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Br)ccc1Cl)NCCC 2110500706 LIZNXILNMSGLDQ-ROUUACIJSA-N 445.829 5.483 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CC[C@@H](Nc3ccc(C#N)c(Br)c3)C2)CC1 2155283683 HEINMZPHFSAXHZ-QGZVFWFLSA-N 434.378 5.302 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CNC2(CCCCC2)C1 2155302578 XGFREIOMBSDSLH-NRFANRHFSA-N 434.378 5.149 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@H]2Nc2cc(Br)ccc2C#N)C1 2156236670 MYSWDEUEQJJDEY-WIYYLYMNSA-N 434.378 5.302 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCCO[C@H]1C(C)(C)C 2160256935 IRYUUODVPYTUDT-UWJYYQICSA-N 437.378 5.678 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H](Nc2cc(Br)c(C#N)cc2F)CC12CCCC2 2162311810 ZBNGCKJILHSLKF-AWEZNQCLSA-N 438.341 5.194 30 10 IKEE CCC[C@@]1(CNc2cc(Br)cc(C#N)c2)CCCCN1C(=O)OC(C)(C)C 2162411561 XICAYMSTXASQON-NRFANRHFSA-N 436.394 5.693 30 10 IKEE CN(c1cc(Br)cc(F)c1C#N)C1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2163698824 SCDZTJPLZPDCTK-DFNIBXOVSA-N 428.349 5.092 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@]2(CNc3cc(Br)cc(C#N)c3)CCC[C@@H]12 2165303363 MCJXGJIEWZEOFH-WIYYLYMNSA-N 434.378 5.302 30 10 IKEE C[C@@H](Nc1cc(Br)c(C#N)cc1F)[C@@H](NC(=O)OC(C)(C)C)c1ccco1 2172876505 GDBQVASJMXYJPO-PIGZYNQJSA-N 438.297 5.119 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1c1ccc(C#N)cc1Br 2174813356 VFBNGYRSZBQCFF-RBUKOAKNSA-N 434.378 5.079 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(Nc2cccc(Br)c2)C(F)(F)CC1 2196977500 KRRCAKHVHUWIMW-GOSISDBHSA-N 444.320 5.180 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(C)c(Br)c(C)c1 2235605865 AAOLIQWBNXMGRX-ICSRJNTNSA-N 437.422 5.413 30 10 IKEE CCCCCCCCC[C@@H](NC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2256731628 SEFXGAMPEUUDTE-XMMPIXPASA-N 446.676 6.169 30 10 IKEE C=C(C)CCCC[C@@H](N)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2271755843 OIORBSYYWWACSP-MOPGFXCFSA-N 425.411 5.349 30 10 IKEE C=CCCC1(C(=O)Nc2c(C)cc(F)cc2Br)CN(C(=O)OC(C)(C)C)C1 2281016955 LALISKHKOYGRFH-UHFFFAOYSA-N 441.341 5.038 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)[C@H]2Nc1ccc(Br)c(C#N)c1 2285787131 DWWPFMGVVRWUIZ-RTGNKSGBSA-N 434.378 5.205 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)C[C@H](C)C(C)(C)NC(=O)OC(C)(C)C 2286776147 MGBYNFFSJPGREU-WMZOPIPTSA-N 437.422 5.108 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)C(C)(C)[C@H](CC)NC(=O)OC(C)(C)C 2296225773 YVMOFQMCNRUESE-RBUKOAKNSA-N 437.422 5.108 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)CC 2296290974 JLXUZXQVQIGAHB-DBVUQKKJSA-N 437.422 5.108 30 10 IKEE COc1ccc(C(O)=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)C)cc2)cc1C 2296608266 IJKRRXXQVUBBKI-QHCPKHFHSA-N 446.503 5.050 30 10 IKEE C[C@@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC(=Cc1cccc(Cl)c1Cl)C2=O 2297480272 YGBQOUNQDOEMKJ-OMUDIIHJSA-N 445.430 6.880 30 10 IKEE C=CCOC(=O)C=Cc1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 2314014280 NOPRLDUZMIWKAT-UHFFFAOYSA-N 427.711 5.977 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc3c(c2)OCO3)c1)c1ccc(-c2ccccc2)cc1 2314430023 UPOCAGAKFVHPEV-UHFFFAOYSA-N 448.474 6.198 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(-c3ccccc3)o2)SC1=Nc1ccc(OCC)cc1 2314490158 YGQAKRRBEDEGJF-UHFFFAOYSA-N 430.529 6.135 30 10 IKEE CCOc1ccc(C=C2SC(=Nc3nc(C)cs3)N(C3CCCCC3)C2=O)cc1 2314543813 MVGQRKQWDYQVTC-UHFFFAOYSA-N 427.595 5.787 30 10 IKEE O=C(O)c1cccc(N=C2SC(=CC=Cc3ccccc3)C(=O)N2C2CCCCC2)c1 2314547082 CPNSZVKDOPKTTP-UHFFFAOYSA-N 432.545 5.878 30 10 IKEE C=CCC(CC=C)[C@H](NCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2316751371 CSXQAJYWGCWAEL-RPLLCQBOSA-N 442.644 5.577 30 10 IKEE Cc1cc(OCc2ccc(Br)cc2)cc2c1C(=O)C(=Cc1ccc(F)cc1)O2 2321842143 BMMSCUKCGPPVGB-UHFFFAOYSA-N 439.280 6.092 30 10 IKEE Cc1ccsc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(Cc1cccc(Cl)c1)C3 2322214333 HEBMUWDRRBNEMV-UHFFFAOYSA-N 437.948 5.987 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1cccc(Cl)c1)C3=O)CN([C@H](C)c1ccccc1)CO2 2322371233 FIXNMDUGGMUMIX-QGZVFWFLSA-N 431.919 6.178 30 10 IKEE Cc1ccc(C)c(CN2COc3c(cc4c(c3C)OC(=Cc3ccc(Cl)cc3)C4=O)C2)c1 2322412879 ASBZZAYHWXQXCU-UHFFFAOYSA-N 445.946 6.234 30 10 IKEE O=C(COc1ccccc1C=CC(=O)c1cccc(Br)c1)Nc1ccccc1 2322457501 ZMWWOFCDQVWDRV-UHFFFAOYSA-N 436.305 5.363 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccccc2)c1OCC(=O)NC1CCCCC1 2322545784 RQKFZJHUIJTZHQ-UHFFFAOYSA-N 427.928 5.072 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccccc4C)c3C)C2=O)cc1OC 2322681133 BVQMMBNLJTVEJR-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc2c(c1C)OC(=Cc1ccc(Br)cc1)C2=O 2322684287 XVKOTCKEWLKDQU-UHFFFAOYSA-N 449.300 5.901 30 10 IKEE C=C(C)COc1c(C=CC(=O)c2cccc3ccccc23)cc(Br)cc1OC 2322724806 MICHJWHHRMUJMZ-UHFFFAOYSA-N 437.333 6.462 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cccc(OC)c1OCCc1ccccc1 2322926425 APNRKPSDRXLBLC-UHFFFAOYSA-N 436.935 6.183 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCCc3ccccc3)ccc3ccccc23)cc1Cl 2322975100 XCEVQVVSSMYKDJ-UHFFFAOYSA-N 442.942 7.019 30 10 IKEE CCCOc1ccc(Br)cc1C=CC(=O)c1ccc(OC)c2ccccc12 2323009564 WVURMPAXSVSNCD-UHFFFAOYSA-N 425.322 6.296 30 10 IKEE Cc1c(OC(=O)C(Cl)(Cl)Cl)ccc2c1OC(=Cc1ccccc1Cl)C2=O 2323038266 IFXBDMLSVHZFIC-UHFFFAOYSA-N 432.086 5.540 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCc3cccc(Cl)c3)c2)cc1OC 2323057760 FKXPYVZICHKVCC-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE CCCOC(=O)COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1OCC 2323530644 UBUAKYVDGJTFKX-UHFFFAOYSA-N 437.319 5.620 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2)c(Br)c1)c1cccc(Cl)c1 2323766751 RUTDTKWNJGDGTC-UHFFFAOYSA-N 427.725 6.578 30 10 IKEE COc1ccc(C=NNc2nc(-c3ccc(F)cc3)cs2)c(Br)c1OC 2323858315 GGBLNWJWKBUBBQ-UHFFFAOYSA-N 436.306 5.175 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2OC)cc1 2323872617 JPSOVEGWYPGHFP-UHFFFAOYSA-N 443.543 5.788 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OCC(=O)OCC(C)C 2324190736 CQERFKRIGIKLHT-UHFFFAOYSA-N 434.891 5.352 30 10 IKEE CCc1ccc(-c2csc([C@H](C#N)C(=O)C(=Cc3ccccc3)c3ccccc3)n2)cc1 2324378593 LQUKOBGNFLSXRL-RUZDIDTESA-N 434.564 6.790 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2325517767 PGCJPUAEXBNBMX-UHFFFAOYSA-N 447.923 5.496 30 10 IKEE CCCCOc1ccc(C=Nn2c(C)nnc2SCc2ccc(Cl)c(Cl)c2)cc1 2325633233 XCQCAXYNDQLTGF-UHFFFAOYSA-N 449.407 6.247 30 10 IKEE COc1ccc(Cl)cc1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccccc1)C2=O 2325709107 YWXDOVMPSFUDEZ-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)[C@H](C)c3ccccc3)c2)cc1 2325734070 TUIGLDMUVBIFSU-LJQANCHMSA-N 430.500 5.699 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)c2)c(C)c1 2325736443 AMFURCYVNMEUID-BJKOFHAPSA-N 430.931 6.562 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccccc3Cl)c2)c2ccccc12 2325776591 OJIBTBUHOLWUDY-UHFFFAOYSA-N 442.898 6.617 30 10 IKEE CCCSc1nnc(COc2ccccc2Cl)n1N=Cc1ccc(C(C)(C)C)cc1 2327679119 MUICKWFMQOVSSB-UHFFFAOYSA-N 443.016 6.192 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@@H](C)c3ccccc3)n2N=Cc2ccc(F)cc2)c1 2330109712 TUSBETCGIWSJMB-FQEVSTJZSA-N 444.579 6.360 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SCCC)nnc2[C@H](C)c2ccccc2)cc1 2330123109 IWLCNKUODUFDEP-HXUWFJFHSA-N 436.625 6.383 30 10 IKEE CCCSc1nnc([C@H](C)c2ccccc2)n1N=Cc1cc(Cl)c(O)c(OC)c1 2330123389 ICROFTTYBZEAOZ-CQSZACIVSA-N 430.961 5.182 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)[C@H]1CCCO1 2330609233 ODTPSOBWRGBKTQ-AREMUKBSSA-N 442.511 5.733 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1 2330678685 VKMWQZUEBPLPOI-UHFFFAOYSA-N 426.512 5.618 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)c3ccccc3)c([N+](=O)[O-])c2)cc1 2330750115 GXJNPHUVLJFZON-SFHVURJKSA-N 429.472 5.762 30 10 IKEE Cc1ccccc1CSc1nnc(CC(C)(C)C)n1N=Cc1ccc(C(F)(F)F)cc1 2330807589 HWGBLYMJSVMZRE-UHFFFAOYSA-N 446.542 6.368 30 10 IKEE CCCOc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2cccc(C)c2)cc1 2330821895 WVVYKACPNCSHOF-UHFFFAOYSA-N 436.625 6.138 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)c2ccccc2Br)cc1 2331051195 DTTXCWACBASUJX-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE O=C(COc1cc(F)ccc1F)Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1 2331085496 UKHIXKVIDGJBIT-UHFFFAOYSA-N 430.353 5.124 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)c1sccc1C 2331122261 WXYMYGSLECKJAG-UHFFFAOYSA-N 442.920 5.842 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)Cc1ccccc1 2331225436 UTKHUEKJSDYYOA-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)CCc1cccc(OC)c1 2331282083 BMEJFAXNJUXRND-UHFFFAOYSA-N 444.527 5.837 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1N=Cc1ccccc1C 2331320281 SXTRYNAEDGCNQN-UHFFFAOYSA-N 435.597 5.159 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cccc4ccccc34)cc2[N+](=O)[O-])cc1 2331473931 PJMKCVHEDUSPBZ-UHFFFAOYSA-N 437.451 6.172 30 10 IKEE COc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1 2331491670 BXWUMSIEMVGJRA-UHFFFAOYSA-N 430.500 5.699 30 10 IKEE N#Cc1ccc(-c2ccc(Cl)c(Cl)c2)nc1Sc1ccc([N+](=O)[O-])cc1C=O 13573877 WRTWEFAMKIMDKT-UHFFFAOYSA-N 430.272 5.799 30 10 IKEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c(OC)ccc3ccccc13)N2 20718943 XRCGKSRTXIDTJE-IPVFLDMMSA-N 446.572 5.139 30 10 IKEE Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2c(Cl)cccc2Cl)cc1 20883236 ZMVQCFXNIJVNDF-QLXKLKPCSA-N 449.381 7.281 30 10 IKEE COc1cc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)cc2)ccc1OC(C)C 20885270 RPFKJBOOWOXXLI-HKUYNNGSSA-N 439.939 5.140 30 10 IKEE C=CCn1c(SCc2cc(=O)oc3cc(C)c(C)cc23)nnc1-c1ccc(Cl)cc1 21123164 VBXWNERPGCBELZ-UHFFFAOYSA-N 437.952 5.800 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2O[C@@H](C)CC)cc1 21220171 CCYOCMCYRGDXNQ-LEDOBFOHSA-N 447.575 5.657 30 10 IKEE C=CCn1c(S[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)nnc1-c1ccc(Cl)cc1 21729281 UBOFLKKDADAZDO-JKSUJKDBSA-N 438.984 5.243 30 10 IKEE CCOC(=O)c1ccc2c(c1)nc(SCc1ccc(C#N)cc1)n2CCCOC(C)C 23332808 LMXPNYNVOOXEBA-UHFFFAOYSA-N 437.565 5.192 30 10 IKEE CCOc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1Cl 33642670 JAAXZVVNTVTQDX-ZVHZXABRSA-N 425.872 5.672 30 10 IKEE O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cccc(NC(=O)c2cccs2)c1 39850957 DDCFSFNOGRRNOM-ZRDIBKRKSA-N 444.468 6.065 30 10 IKEE COC(=O)c1ccc(/C=C2\S/C(=N/c3cccnc3Cl)N(c3ccccc3)C2=O)cc1 39864041 HMYLCIFBNQBQIA-UBCKUINFSA-N 449.919 5.330 30 10 IKEE C=CCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2[C@H]1c1ccc(OCCCCC)cc1 39910794 FPDHAHUIUOSRPI-HSZRJFAPSA-N 431.532 5.710 30 10 IKEE CCc1ccc(N/C(=N/C(=O)c2ccc(C(F)(F)F)cc2)NCc2ccncc2)cc1 45940560 OCKWTCFZFBIOFT-UHFFFAOYSA-N 426.442 5.061 30 10 IKEE CC(C)(C)c1ccc(/C=C2\S/C(=N/N=C\c3ccccc3)N(Cc3ccco3)C2=O)cc1 47137266 RGSJONOTLGJETO-TYTLHDRUSA-N 443.572 6.084 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OCc4cccc(F)c4)cc(C)c3C2=O)cc1 62957627 KLGMZDDMYMVFSC-MYYYXRDXSA-N 431.507 6.176 30 10 IKEE C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3c(C)nn(CC(C)C)c3Cl)c12 96925863 VBXQUIUFBWOYQF-QXMHVHEDSA-N 435.959 5.494 30 10 IKEE CCCCCCCOc1cccc([C@@H]2Nc3ccccc3C(=O)N2CCc2ccccc2)c1 100139814 HCXLJWGASBSNPX-MUUNZHRXSA-N 442.603 6.845 30 10 IKEE CCCCCCCCCCCCn1c(-c2ccc(Cl)cc2Cl)nc2ccccc21 102162416 TZJSBQLMTSXEEN-UHFFFAOYSA-N 431.451 8.931 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C/C=C\c2ccccc2OC)C3=O)cc1 103018841 OWXVZQKTMABCDS-YLDYHTFSSA-N 428.440 5.095 30 10 IKEE CCCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccccc1CC 105449755 POIBPHZMBJRWTA-UHFFFAOYSA-N 443.760 10.009 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccc(O)cc2)c(C)c1 169962818 XRCCGMGSOHFHKW-XMMPIXPASA-N 438.483 5.273 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2ccc(Cl)cc2)c1 169969761 CFNFKVGUYWYQQP-NRFANRHFSA-N 448.862 5.340 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2cccc(C)c2)cc1 169970177 WPPWXLSGNDOSFU-HSZRJFAPSA-N 447.918 5.830 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@@H]2c2ccccn2)s1 169996223 UHFNALTVQBPPKX-OAQYLSRUSA-N 441.512 5.091 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cccc3ccccc23)[C@@H]1c1ccncc1 170020818 FRAMKHANVXVFSN-XMMPIXPASA-N 436.467 5.026 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2C2CCCCC2)c1 170039574 FJZAPNQZTBPRPO-HXUWFJFHSA-N 440.565 5.070 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccc2ccccc12)c1ccc(Cl)cc1 170045555 XFTZKGKZUMVPEU-QHCPKHFHSA-N 443.886 5.865 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccccc2)c1 170047638 KFKWORGEFSSQMA-AREMUKBSSA-N 449.506 6.021 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccccc2OC)=C(N2CCCc3ccccc32)C1=O 170060092 KYHFJXOQBUNSAF-UHFFFAOYSA-N 446.591 5.588 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2C2CCCC2)c1 170148608 PCQAMOMQWAOCON-DEOSSOPVSA-N 433.548 5.551 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(OC(C)C)cc1 170152330 FNQBCAZVOADAPF-XMMPIXPASA-N 433.548 5.341 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC)cc1 170216204 UYXCRDRRRSSULN-OSPHWJPCSA-N 449.547 5.177 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1cccc(OCC(C)C)c1 170219103 ZYUZYMZIHHMFBD-HSZRJFAPSA-N 437.536 5.027 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@@H]1c1ccccc1 170223918 YOJMIBPJSSSJRL-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3OC)[C@@H]2c2ccccc2)cc1 170224283 UIDNYUQZUVYFAO-DEOSSOPVSA-N 443.499 5.049 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccccc2)cc1 170225532 VLDKSYPMOBTGHA-XMMPIXPASA-N 427.500 5.485 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(OCC(C)C)c2)=C(O)C(=O)N1C1CCCC1 170278322 BJZXRBSXAMMYJK-DEOSSOPVSA-N 433.548 5.551 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)[C@@H]2c2ccco2)cc1 170289900 IDUXRMBGNQXUKA-NRFANRHFSA-N 444.830 5.334 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccc3ccccc23)cc1 170369825 MGIAQYABNYCDGR-RUZDIDTESA-N 435.479 5.631 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2nc3ccc(C(C)(C)C)cc3s2)[C@H]1c1cccnc1 170482013 BSQRGPVWMJHGFC-IBGZPJMESA-N 449.576 5.504 30 10 IKEE CC(C)Oc1ccc(/C=C(/C(=O)Nc2c(C#N)cnn2-c2ccccn2)c2ccccc2)cc1 170525944 XJEKCEXDDCSHDZ-LFVJCYFKSA-N 449.514 5.105 30 10 IKEE CO/N=C1/C[C@@H]2[C@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]2(C)[C@@H]1/C(C)=N/OC 253537519 KLCZPBNZZJGNRW-XLQZXWJPSA-N 432.605 5.212 30 10 IKEE O=C1C(=Nc2cccc(C(F)(F)F)c2)c2ccccc2N1CN1CCc2ccccc2C1 253685257 WIKKNMOJGPBWRW-UHFFFAOYSA-N 435.449 5.189 30 10 IKEE COc1ccc(/C=C2/SC(=Nc3ccccc3)N(Cc3ccco3)C2=O)c(OC)c1C 254402223 KIKJYSRQNGNJJM-ZOQGDPGVSA-N 434.517 5.409 30 10 IKEE CCCCCCCCCCCC(=NOC(=O)Nc1cccc2ccccc12)c1ccccc1 254466778 GPXMRNKQLFVUES-UHFFFAOYSA-N 444.619 8.714 30 10 IKEE NC(=S)NN=CC1=C(c2ccccc2)S[C@H](c2ccccc2)C(Cc2ccccc2)=C1 254494970 SHIMQAFXPKRXRL-XMMPIXPASA-N 441.625 5.874 30 10 IKEE CCN=c1scc(-c2ccc(OC)cc2)n1N=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 254570948 QEDIXCQTBQPPSU-UHFFFAOYSA-N 448.504 5.196 30 10 IKEE CCC(=NOc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(-c2ccccc2F)cc1 254754374 IMPZROPIJDTEAI-UHFFFAOYSA-N 432.373 6.613 30 10 IKEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN(Cc1ccccc1)Cc1ccccc1 381482229 FJLNFCJOPUGVCC-UHFFFAOYSA-N 443.396 5.197 30 10 IKEE N#C[C@H](Nc1cccc(Br)c1)c1c(Br)cncc1Br 394516290 DSZYDBKROIQRSO-LBPRGKRZSA-N 445.940 5.046 30 10 IKEE CCN(CC)c1ccc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526489781 SEZDVSNMMKQCPH-QHCPKHFHSA-N 429.545 5.523 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccc(C)c2)cc1Cl 526522939 UGFIXBPXHSVBGY-XMMPIXPASA-N 444.918 5.976 30 10 IKEE CCOc1cc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(C)cc2)ccc1OC 526603267 BUIKLCMRXBKZCW-VWLOTQADSA-N 440.499 5.331 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(C(C)C)cc1 526744639 WJVYKPNLVCLORQ-XMMPIXPASA-N 445.946 6.555 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1cccc(OCC)c1O 526811792 TWSQGYHUKVCMIL-QRVIBDJDSA-N 430.961 5.163 30 10 IKEE CCCOc1ccc(/C=N\n2cnnc2SCc2ccccc2Cl)cc1OCC 526815947 YWHNLGZXHZPESD-CFRMEGHHSA-N 430.961 5.294 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccc(OC(C)C)cc1 526817100 HDZZPFBUBZFGML-MXAYSNPKSA-N 446.979 5.985 30 10 IKEE COc1cc(C)c(C)cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)c1ccc(C(C)C)cc1 586219508 YPMZJKVCOZKALG-UHFFFAOYSA-N 448.588 5.703 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 724019509 JPZIKGAWCZXVJM-NTKDMRAZSA-N 429.561 5.153 30 10 IKEE Cc1cccc(Cl)c1COc1ccc(C=NNc2nc(SC3CCCC3)n[nH]2)o1 1084323624 LDLMHIMTYXSBEP-UHFFFAOYSA-N 431.949 5.419 30 10 IKEE Oc1ccccc1C=Nc1cc(C(F)(F)F)ccc1Oc1cc(Cl)ccc1Cl 1084335899 YSISOKLMINCFMC-UHFFFAOYSA-N 426.221 7.261 30 10 IKEE O=[N+]([O-])c1ccc(C=NNc2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 1084625330 LEADPKJGYXLZLW-UHFFFAOYSA-N 445.460 5.740 30 10 IKEE CSc1ccccc1N/C(=N/C[C@@H]1CCC[C@H](CN)C1)NCc1cccc2ccccc12 1088652339 GSLWLHOFFUCCPD-LEWJYISDSA-N 446.664 5.885 30 10 IKEE N#C[C@@H](c1ccc2c(c1)OCO2)N(Cc1ccccc1)C(=O)c1ccc(Cl)cc1Cl 1088717650 KJCBOXRGRWCNOZ-FQEVSTJZSA-N 439.298 5.629 30 10 IKEE C=CCC[C@@H](NC(=O)c1ccc2c(O)nc(S)nc2c1)c1ccc(C(F)(F)F)cc1 1457712546 AWEVMAJEFBPCHF-MRXNPFEDSA-N 433.455 5.080 30 10 IKEE Cc1cccc(C(C)C)c1NC(=O)c1nc(C(=O)Nc2cccc(C#N)c2)c2ccccn12 1858242130 QSFBFRQFWDOUHK-UHFFFAOYSA-N 437.503 5.142 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)CCCOc1c(C)cccc1C 1861685091 XMALFSIPAIUAGC-DEOSSOPVSA-N 444.660 5.710 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccccc2)cc1 1862387690 QKITUFLWAKQZFF-RUZDIDTESA-N 431.576 6.330 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2ccc(F)cc2F)cc1 1862395734 XFEIDKFUCZFXCQ-IVZQSRNASA-N 427.491 5.684 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(F)cc2F)=C(O)C(=O)N1[C@@H]1CCCC[C@@H]1C 1862412165 YANSEVCBJNQTLQ-ZAOYMGCJSA-N 425.475 5.430 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862431156 AUGKRNLTPVQNBF-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCC(C)C)c1 1862434330 WYOVPWOKLIOQDL-NRFANRHFSA-N 427.928 5.363 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 1862478848 SAHYAMDMLLUZFF-SBUREZEXSA-N 442.471 5.243 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 1862480224 AOIZPWVOIUKROX-DEOSSOPVSA-N 440.543 5.466 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(F)cc1 1862490164 OXYXBHCCAOGESW-DEOSSOPVSA-N 437.555 6.381 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cc(Cl)cc(Cl)c1 1862508560 LDJQYZOJUDRXMI-CWTRNNRKSA-N 436.310 5.818 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc(C(=O)O)cc2)cc1 1862532845 GWOUBIHEZNBVET-POCHDABASA-N 447.531 5.104 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccccc2C)cc1OC 1862575648 BMBWYQWSRZMLPL-DEOSSOPVSA-N 449.547 5.313 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2cccc3ccccc23)c1 1862592381 BSTYWPOJZQMVAU-SANMLTNESA-N 449.506 5.632 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(N(C)C)cc1 1862617190 VIARJWNQBOULSG-HXOBKFHXSA-N 434.580 5.427 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCCc3ccccc3)[C@H]2c2ccccc2)cc1 1862687382 KGVOSSZJRFKOGE-VWLOTQADSA-N 441.527 5.296 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccc(OC)cc2)cc1 1862689182 KGRHHENXFFZPCW-BXKMTCNYSA-N 443.499 5.043 30 10 IKEE Cc1ccc(C2=C(Nc3cc(Cl)ccc3Cl)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862897199 BEIPBGUKTMBTKA-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE N#Cc1cccc(NC2=C(c3c[nH]c4ccccc34)C(=O)N(C3CCCCCCC3)C2=O)c1 1863495378 PSTNDYKAYKEZFV-UHFFFAOYSA-N 438.531 5.344 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccccc2Cl)=C(c2ccc(F)cc2)C1=O 1863507944 NFUADUNRCQNWNT-UHFFFAOYSA-N 442.962 5.709 30 10 IKEE CCc1sc(NC(=O)CCCC#N)c(C(=O)OC)c1-c1ccc(Br)cc1 1866185027 FOXZQGBOXSRRMU-UHFFFAOYSA-N 435.343 5.159 30 10 IKEE CCCCCCCCNC(=O)c1cn(-c2cccc(OCc3ccccc3)c2)c(=O)cc1O 1870128353 RAXHBTNPFODMRI-UHFFFAOYSA-N 448.563 5.212 30 10 IKEE Cc1ccc2[nH]c(C(=O)Nc3c(C#N)nnn3-c3cc(C(C)C)cc(C(C)C)c3)c(C)c2c1 1870159640 QZKLIEHAZGNZGG-UHFFFAOYSA-N 440.551 5.736 30 10 IKEE CCCCCCCCCCn1cc(OCCCO)c(=O)cc1CSc1ccccn1 1870238189 VRBKKFLTLCVPQV-UHFFFAOYSA-N 432.630 5.438 30 10 IKEE CCCCCCCCCCn1cc(OCc2c(C)noc2C)c(=O)cc1CSCC 1870303065 CIIBJANMDRMGDL-UHFFFAOYSA-N 434.646 6.426 30 10 IKEE CCCCCCCCCCn1cc(OCCCC)c(=O)cc1CN1CCC(CO)CC1 1870663845 PULWUGFDOFXJPT-UHFFFAOYSA-N 434.665 5.372 30 10 IKEE C=CCn1cc(OCc2ccc(C(C)C)cc2)c(=O)cc1CNc1ccc2c[nH]nc2c1 1870897271 GBKLHWOUUGUXOF-UHFFFAOYSA-N 428.536 5.225 30 10 IKEE CCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(C)c(Cl)c1 1871254022 NCHHABSDYVJTAD-UHFFFAOYSA-N 449.982 6.063 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1c(F)cccc1Cl)O3)CN(C1CCCCCC1)CO2 1871352278 YDPUTIUREPAVSS-UUYOSTAYSA-N 441.930 6.278 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(Cl)cc1)C3=O)CN(CCC1=CCCCC1)CO2 1871355239 ZEQALDKRHHDBOO-QRVIBDJDSA-N 435.951 6.307 30 10 IKEE CCCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccncc2)C3=O)cc1 1871378670 YKCRDTVGRMQTPO-VMZUUKACSA-N 427.456 5.105 30 10 IKEE O=C(/C=C/c1ccc(-c2ccccc2)cc1)Oc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O 1871382690 BNSLLCDBXDRFPB-ZWYQHUONSA-N 444.486 6.589 30 10 IKEE Cc1c(OC(=O)c2c(Cl)ccc(Cl)c2Cl)ccc2c1O/C(=C\c1ccco1)C2=O 1871382830 FUNVEBWHXRJOJB-SXGWCWSVSA-N 449.673 6.384 30 10 IKEE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871383698 RBJLFTJFLVEWCA-CFRMEGHHSA-N 448.902 6.210 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(OC)cc2)C3=O)c1 1871388155 XPGSIHFQMMOYCW-IWIPYMOSSA-N 444.483 5.628 30 10 IKEE CCOc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccccc1)C2=O 1871402673 LSQQRWNGOPZAET-BEXDPUPVSA-N 443.499 5.416 30 10 IKEE C[C@H](Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O)C(=O)Nc1ccc(Cl)cc1 1871415349 XUJLZJGFIZPKHL-ZDXHCBJDSA-N 437.854 5.501 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(F)cc2)ccc2c1O/C(=C\c1cccc(Cl)c1)C2=O 1871456512 IVRPHJBCDYQDPF-MTJSOVHGSA-N 437.854 5.421 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1cc(C)ccc1C 1871876681 TZIALTCUKLPBMN-OAQYLSRUSA-N 449.016 5.331 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1 1872492345 HJCZIRXWZCROSU-JOCHJYFZSA-N 449.016 5.269 30 10 IKEE CC(C)Oc1ccc(/C=C(/C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)c2ccccc2)cc1 1872774073 GSQFGRROCPPHCR-CLMUKVTESA-N 430.573 6.471 30 10 IKEE N#C[C@H](C(=O)CCOc1ccccc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872777973 ANPRSHIXAITHKG-HSZRJFAPSA-N 440.524 6.248 30 10 IKEE COc1cc(-c2csc([C@H](C#N)C(=O)Cc3ccccc3F)n2)c(OC)cc1Cl 1872780866 MSKHKWUNHPPROO-CQSZACIVSA-N 430.888 5.039 30 10 IKEE COc1c(Cl)cc(-c2csc([C@@H](C#N)C(=O)c3ccnc(Cl)c3)n2)cc1Cl 1872785795 WCTGNUNTLWZAGL-NSHDSACASA-N 438.723 5.664 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccc(Cl)cc3)n2)cc1C 1872787454 JZPSTHSHMGVXCQ-HNAYVOBHSA-N 440.952 5.733 30 10 IKEE CCCCCCCCCCN1C[C@H](C(=O)N(Cc2ccncc2)C2CCCC2)CC1=O 1873022502 SIJHZHLHQLVFHD-HSZRJFAPSA-N 427.633 5.342 30 10 IKEE CCCCCN1C(=O)C(Nc2ccccc2C#N)=C(c2cccc(Cl)c2Cl)C1=O 1873339447 WUOATCXRCTWBKC-UHFFFAOYSA-N 428.319 5.247 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)Nc1cc(Cl)cc(Cl)c1)n2Cc1ccco1 1873614829 DVEQILUYOLIUSP-UHFFFAOYSA-N 442.306 5.230 30 10 IKEE CCCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1sccc1C 1874214029 RUFYPBFRVFKSQE-HYARGMPZSA-N 435.018 5.697 30 10 IKEE Cc1cccc(CSc2nnc(Cc3cccc4ccccc34)n2/N=C/c2ccco2)c1 1874268999 PZEFTABTWCIQLF-WPWMEQJKSA-N 438.556 6.098 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(CCc3ccccc3Cl)nnc2SC)cc1 1874275887 KSMIASACBZMWAO-KOEQRZSOSA-N 443.016 5.890 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2ccccc2)n1/N=C/c1cccnc1 1874300805 UBJMZGQUTXDNES-CVKSISIWSA-N 429.549 5.043 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(CCc3ccc(OC)cc3)nnc2SC)cc1 1874304740 OGAALDUQJXGFBD-XIEYBQDHSA-N 438.597 5.245 30 10 IKEE Cc1cccc(OCc2nnc(SCc3ccccc3F)n2/N=C/c2ccncc2)c1C 1874323274 HFTSTFYOAUTTJI-MZJWZYIUSA-N 447.539 5.183 30 10 IKEE Cc1ccc(C)c(CSc2nnc(COCc3ccccc3)n2/N=C/c2cccn2C)c1 1874355263 GBZFKDQCIRGHMV-CVKSISIWSA-N 445.592 5.125 30 10 IKEE Cc1ccc(CSc2nnc(CCc3cccs3)n2/N=C/c2cccc(F)c2)cc1 1874369253 RBDWUSCSQSKMQA-MFKUBSTISA-N 436.581 5.747 30 10 IKEE CCCSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1ccc(OCC)c(OCC)c1 1874399256 KVPRVIDQBGPZJT-UPMNJHNBSA-N 438.597 5.612 30 10 IKEE Cc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCc2ccccc2Cl)cc1 1874413102 CFIFSUDSRJRIIU-ZVHZXABRSA-N 439.009 6.067 30 10 IKEE Fc1cccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2-c2cccs2)c1 1874423996 PADAMOPAEZNDSF-CVKSISIWSA-N 444.560 6.473 30 10 IKEE COc1cc(/C=N/n2c(SC)nnc2-c2ccccc2)ccc1OCc1ccc(C)cc1 1874425431 IPYBTNUZJZOQEE-WGOQTCKBSA-N 444.560 5.445 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C(C)(C)C)cc1OC 1874485704 IVPJRDQKFHSOTL-ZMOGYAJESA-N 444.988 5.421 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(SCc2ccccc2Cl)nnc1C1CCC1 1874496133 WJCOZMYNEITSAN-AFUMVMLFSA-N 441.000 6.161 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(SCc2cccc(Cl)c2)nnc1C1CC1 1874520224 HXLRFBYGHKLSAK-VULFUBBASA-N 448.979 6.145 30 10 IKEE Fc1ccc(Br)cc1/C=N/n1cnnc1SCc1c(F)cccc1Cl 1874539966 BLUNXCGKHKZOPB-QPJQQBGISA-N 443.704 5.147 30 10 IKEE CCOc1cccc(/C=N/n2c(S)nnc2CCCOc2ccc(C(C)(C)C)cc2)c1 1874570873 MRDWJEMBBANVDF-KOEQRZSOSA-N 438.597 5.157 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1OCc1ccc(F)cc1 1874593365 GFDKRDPXZZQSKW-UUILKARUSA-N 441.296 6.072 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC)c(OCc3ccc(Cl)c(Cl)c3)c2)c1 1874593854 FGOJRBVNPGMVQH-JXMROGBWSA-N 443.326 6.486 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2cccc(OCc3cc(C)ccc3C)c2)cc1Cl 1874599110 VQIJPLSMPMBXTP-ZHACJKMWSA-N 436.935 6.449 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OCC(=O)Nc2ccccc2)c1 1874600212 ZPOIOHURNBRWLS-JQIJEIRASA-N 427.544 6.206 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)c(OC)c2)c1 1874606075 UEMLRRQHOGUUQH-CSKARUKUSA-N 445.515 5.234 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)cc1C 1874606891 LXHQDTDNDBZMJE-IZZDOVSWSA-N 449.934 5.879 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1C 1874607625 WTVZDMPQARJHSG-VZUCSPMQSA-N 427.327 6.786 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1 1874613770 MITDFRGTZFHBSH-WLRTZDKTSA-N 437.879 6.122 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])cc1 1874616171 MCNQYLQXJYSLDB-NTUHNPAUSA-N 430.460 5.125 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1OC(=O)c1ccc(C)c(C)c1 1874692414 FKVJBLULPYIFHN-NTEUORMPSA-N 436.507 6.581 30 10 IKEE CCc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)ccc2OC)cc1 1874697868 DTYGBEVPEMDLOB-MKMNVTDBSA-N 431.444 5.281 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)C23CC4CC(CC(C4)C2)C3)c1)c1ccc([N+](=O)[O-])cc1 1874698193 KVFZGLCYCATSOF-RUDMXATFSA-N 431.488 5.613 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1OC(=O)c1ccccc1 1874702548 WQWCQTFBHQLAEY-YRNVUSSQSA-N 427.283 6.117 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OC(=O)CCCOc3ccccc3)c2)c1 1874706348 BYPMCDIGCSXIRW-FYWRMAATSA-N 446.499 5.365 30 10 IKEE CCc1ccccc1OCC(=O)Oc1cccc(/C=C/C(=O)c2ccc(C(C)C)cc2)c1 1874710042 QBUYDLTUTMYHDS-SFQUDFHCSA-N 428.528 6.253 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccccc3F)c2)c2ccccc12 1874718189 DCFXOGIFBGIPSU-FYWRMAATSA-N 440.470 6.032 30 10 IKEE CCCCCCCCC(=O)Nc1cccc(C(=O)CCN(CCCC)CCCCCC)c1 1874728520 DDNAOXMGHCWNCB-UHFFFAOYSA-N 444.704 7.631 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(OC)c1OC(=O)C1CCCC1 1875096179 AOBFPBMPCOMTSG-SDNWHVSQSA-N 430.500 5.849 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(Cl)c1OC(=O)CC(C)C 1875097182 YJCKOXCGKDATFB-DHZHZOJOSA-N 426.940 6.075 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3Cl)cc2)cc1 1875106043 ZCKAGIJVHBPQHL-QGOAFFKASA-N 432.947 6.727 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(Cl)c1OC(=O)c1cccs1 1875112976 OVXOAZCGBWLALJ-IZZDOVSWSA-N 442.920 5.924 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3F)cc2Cl)cc1 1875120783 KKDOVMLUJVURCF-WTDSWWLTSA-N 428.818 5.742 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2OC)c1 1875140132 RBZLBPPTHVHIQS-JLHYYAGUSA-N 444.527 5.755 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)c1ccc(CC)cc1 1875140298 ZGGIZJQKJXDVPU-RVDMUPIBSA-N 428.528 6.380 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(C)c3)cc2Cl)cc1 1875141466 GJAHDROCDSIVBT-VZUCSPMQSA-N 438.882 5.840 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1OC(=O)C1CCCC1 1875159905 QILLDXXBYRZXJE-KPKJPENVSA-N 427.428 5.124 30 10 IKEE Cc1cncc(C(=O)Oc2ccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)cc2Cl)c1 1875168961 BUVZLWKGJAHHBH-SOFGYWHQSA-N 433.935 6.392 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)CC3CCCCC3)cc2)c1 1875171528 ASWUTENKQAHYOM-FOWTUZBSSA-N 436.548 6.256 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3cccc(F)c3)c(OC)c2)cc1C 1875191334 IBSICGKTHFHXMA-CSKARUKUSA-N 434.463 5.575 30 10 IKEE O=C(Nc1ccc(Br)cc1F)c1cccc(C(F)(F)F)c1C(F)(F)F 1889902885 UYJQJGWJJOKZMP-UHFFFAOYSA-N 430.117 5.878 30 10 IKEE C=C(C)[C@@H]1CC[C@@]2(C=O)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@@H](O)CC[C@@]34C)[C@H]12 1903846625 FELCJAPFJOPHSD-ZWPFISNSSA-N 440.712 7.204 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)cc1 1945524709 NPMUTLPTOFHZBC-RLLQIKCJSA-N 429.561 5.274 30 10 IKEE CCC1(NC(=O)OC(C)(C)C)CC(C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)C1 1947417670 MMTPRZIZVJDPCC-UHFFFAOYSA-N 449.979 5.811 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@@]1(C#N)CN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 1949561550 QXVOHSBOZOOJFX-DEOSSOPVSA-N 435.609 5.486 30 10 IKEE CC(C)(C)OC(=O)N1CCC(C[C@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)CC1 1953286283 POJXDZSIYDDYPN-OAQYLSRUSA-N 443.588 5.353 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CC[C@@H]1NC(=O)OCc1ccccc1 1959029915 IHGWYIWRGQQGBQ-SQJMNOBHSA-N 435.524 5.088 30 10 IKEE CCCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 2018644715 FAZYONJVDKWQPF-DEOSSOPVSA-N 435.609 5.630 30 10 IKEE N#C[C@]1([C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCCOC1 2071353033 CZHFZSGBIIALHM-KAYWLYCHSA-N 429.516 5.198 30 10 IKEE CC[C@@H](c1c(C)cc(C)cc1C)n1nc(C(C)(C)C)c(C#N)c1I 2080048055 NAQQZJLATKMSLN-INIZCTEOSA-N 435.353 5.582 30 10 IKEE CC(C)Oc1ccc([C@H](n2nc(C(F)(F)F)c(C#N)c2Br)C2(C)CC2)cc1 2080062985 WSTNGAPORRDARD-INIZCTEOSA-N 442.279 5.713 30 10 IKEE CCc1nn([C@H](c2ccc(SC)cc2)C(C)(C)C)c(I)c1C#N 2080102645 WSYBKDRCASFQDC-MRXNPFEDSA-N 439.366 5.279 30 10 IKEE Fc1cc(C(F)(F)F)ccc1-c1c(C(F)(F)F)nn(C2CCCC2)c1Br 2080751080 JOHYHNNGRBGNLX-UHFFFAOYSA-N 445.176 6.604 30 10 IKEE Cc1ccc(F)cc1-c1c(C(F)(F)F)nn(C(F)(F)F)c1I 2080846825 CUSLPHGXPZQMEU-UHFFFAOYSA-N 438.084 5.097 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]([C@](C)(C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 2082162629 UGSLXHQKAJPEOB-GXYVPTEVSA-N 447.551 5.543 30 10 IKEE C=C(C)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@H]4[C@]5(C)[C@@H](O)C[C@@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@H]12 2085138202 SWEUJTWPRYKNNX-HHFHAFJESA-N 442.728 6.996 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](Cc2cc(Br)ccc2Cl)NC)C1 2126687034 LMXGCBURSIXRBC-KRWDZBQOSA-N 443.813 5.094 30 10 IKEE N#Cc1ccc(NCc2ccc(I)c(Cl)c2)cc1Br 2143019668 YUBTZHZEYFPKBD-UHFFFAOYSA-N 447.501 5.191 30 10 IKEE CN(c1cc(Br)c(C#N)cc1F)C1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2151258198 RIAPYMCDLLRTJL-DFNIBXOVSA-N 428.349 5.092 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1c[nH]nc1C(F)(F)F 2154850770 APHRQGXUBWVWPL-CYBMUJFWSA-N 445.239 5.197 30 10 IKEE CN(Cc1ccccc1CNc1ccc(C#N)c(Br)c1)C(=O)OC(C)(C)C 2162380270 VNTKEFJSNXNLLO-UHFFFAOYSA-N 430.346 5.300 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(F)c(C#N)c2)cc1Br 2181045275 GAYKMAONZIQCNP-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE C=CCCCCC[C@@H](O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229102878 PVBZGDGURJGAIL-RBUKOAKNSA-N 426.395 5.382 30 10 IKEE CC1(C)OB(c2ccsc2C(=O)N(Cc2ccccc2)C2CCCCC2)OC1(C)C 2247864170 BNMOWURWYBXGLP-UHFFFAOYSA-N 425.403 5.022 30 10 IKEE CCN[C@H](C#CC1CCCCC1)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2260993013 SALUKAZKVXSTRQ-XMMPIXPASA-N 440.628 5.002 30 10 IKEE C=C(COCc1ccccc1)[C@@]1(OCCN)CN(Cc2ccccc2)C2(CCCCC2)C1 2263012081 FJRPXVHFBNXHGI-NDEPHWFRSA-N 434.624 5.082 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)c1cc(CNC(=O)OC(C)(C)C)cs1 2296300967 OYAUAWLNOBTSQA-GOSISDBHSA-N 449.414 5.238 30 10 IKEE CCOc1ccc2oc(C)c(C(=O)Oc3ccc4c(c3)OC(=Cc3cccs3)C4=O)c2c1 2296865947 PDVMNHZCDQBURL-UHFFFAOYSA-N 446.480 6.037 30 10 IKEE CCc1ccc(N=C2SC(=Cc3cccc(O)c3)C(=O)N2c2ccc(CC)cc2)cc1 2296968807 UJJWFTAXTQKUBM-UHFFFAOYSA-N 428.557 6.326 30 10 IKEE CN1CCN(C(=Nc2sc(-c3ccccc3)nc2-c2ccccc2)c2ccccc2)CC1 2297718157 SQXXFCMDURBYBH-UHFFFAOYSA-N 438.600 5.803 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CC[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 2298495908 GXFXTYZPSWAELF-QPBWXXGLSA-N 433.593 5.142 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@@H]2C[C@H]1C[C@@H]2NC(=O)OC(C)(C)C 2308987619 XYKMGLHAKOKUNN-NUDCOPPTSA-N 441.572 5.322 30 10 IKEE Cc1cccc(N=C2SC(=Cc3c(Cl)cccc3Cl)C(=O)N2C2CCCCC2)n1 2314540232 MDGHMVKUSSSMFN-UHFFFAOYSA-N 446.403 6.634 30 10 IKEE O=C1C(=CC(Cl)=Cc2ccccc2)SC(=Nc2nccs2)N1C1CCCCC1 2314541980 GFUPSPWZRYUOGA-UHFFFAOYSA-N 429.998 6.203 30 10 IKEE Cc1ccccc1C=NN=C1SC(=Cc2ccc(Cl)cc2)C(=O)N1Cc1ccco1 2314818796 LXTRFIAHLLSXRW-UHFFFAOYSA-N 435.936 5.748 30 10 IKEE C=CCN1C(=O)C(=Cc2c(Cl)cccc2Cl)SC1=Nc1ccc(C(=O)O)c(O)c1 2314927040 XYEGEEBMALGSIY-UHFFFAOYSA-N 449.315 5.187 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(C)n1N=Cc1ccc(Cl)cc1Cl 2321090466 CBOFVZNOZDGWOJ-UHFFFAOYSA-N 448.379 5.069 30 10 IKEE Cc1cc(OCc2ccc(F)cc2)cc2c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O2 2321802104 VTNMNEPPGIABEX-UHFFFAOYSA-N 429.274 6.636 30 10 IKEE CCn1cc(C=C2Oc3cc(OCC=Cc4ccccc4)cc(C)c3C2=O)c2ccccc21 2321815515 QGTNPMDOOHDQBQ-UHFFFAOYSA-N 435.523 6.678 30 10 IKEE Sc1nnc(CCc2ccccc2)n1N=Cc1ccc(OCc2cccc(Cl)c2)cc1 2321901243 BQIKNQJKDFAMET-UHFFFAOYSA-N 448.979 5.467 30 10 IKEE CC(C)Oc1ccc(C=Nn2c(S)nnc2CCCOc2ccc3ccccc3c2)cc1 2322274157 XSVOWHNRQFYEOB-UHFFFAOYSA-N 446.576 5.401 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(F)cc2F)c1OCC(=O)Nc1ccccc1C 2322502574 JJFRARUOWGSCQR-UHFFFAOYSA-N 437.442 5.195 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccccc2)c(OCC)c1 2322910779 AIJMDLKSTTWMGF-UHFFFAOYSA-N 445.515 5.398 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OCc1ccc(Cl)c(Cl)c1 2323138715 JYBKLZBCALNTLC-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3cccc(C)c3)c2)cc1 2323157641 CPZWOZLTYXPCAI-UHFFFAOYSA-N 429.516 5.697 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cccc(OCC(=O)Nc2cc(C)cc(C)c2)c1 2323260315 SPDHVDBFMZDPOI-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc(Cl)cc4[N+](=O)[O-])c3C)C2=O)cc1 2323283388 CSZIGPPXVDDTKM-UHFFFAOYSA-N 449.846 5.700 30 10 IKEE Cc1cc(OC(=O)c2ccc(C(F)(F)F)cc2)cc2c1C(=O)C(=Cc1ccc(F)cc1)O2 2323352029 JFCGNWGFHVYMJG-UHFFFAOYSA-N 442.364 5.988 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(OC)c2)cc1 2323485634 IVWICJIXXCCSQV-UHFFFAOYSA-N 443.543 5.788 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc4c(c2)OCO4)C3=O)CC1 2323652153 RYKLYTRBXZELPD-UHFFFAOYSA-N 448.515 5.934 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)cc(OC)c1OCc1ccc(F)cc1 2323720449 XGBSSLVKHYJJGF-UHFFFAOYSA-N 428.406 5.596 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2F)c(Br)c1)c1ccc(Cl)cc1 2323790805 LBPHJHVTSPMNEB-UHFFFAOYSA-N 445.715 6.717 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OCc1ccc(C(=O)OC)o1 2323959768 ZMEUQGAYYQYPCI-UHFFFAOYSA-N 434.488 5.557 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2324376041 YOHFHDMAXBEGRR-KRWDZBQOSA-N 447.918 5.979 30 10 IKEE Cc1c(O[C@@H](C)C(=O)Nc2ccccc2Cl)ccc2c1OC(=Cc1ccccc1)C2=O 2324392573 VFPRBPWCKUHOBB-INIZCTEOSA-N 433.891 5.671 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OCc1cccc2ccccc12 2324567646 BCSVSGHBRHKSAT-UHFFFAOYSA-N 436.551 7.249 30 10 IKEE Cc1cccc(OCCCCOc2ccc3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)c1 2324570283 SEQBCOJMRKDUPB-UHFFFAOYSA-N 445.471 5.757 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1)Nc1ccc(F)cc1 2324651712 CATOMSGBIJMBPE-UHFFFAOYSA-N 444.289 6.046 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)cc(OC)c1OCC(=O)OC 2324666009 KQACFSPJQATXKD-UHFFFAOYSA-N 435.303 5.178 30 10 IKEE CCOc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1 2324794832 QWASSDKVSHMPCE-HSZRJFAPSA-N 444.600 6.704 30 10 IKEE Cc1cc(OCC(=O)C(C)(C)C)cc2c1C(=O)C(=Cc1cc(Cl)cc3c1OCOC3)O2 2324919212 NHYIKPPOFNGQED-UHFFFAOYSA-N 442.895 5.125 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccc(OC(C)C)c(OC)c1 2325547091 LOBRJQUQKIEVPE-UHFFFAOYSA-N 438.597 5.509 30 10 IKEE COc1ccc(CCOc2cc(C)c3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)cc1 2325631802 IKNAKOJOHCSZMU-UHFFFAOYSA-N 429.516 5.307 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccccc3Cl)c2)cc1OC 2325703379 RZLOGQRMKZRIDY-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE O=C(COc1ccc(Cl)cc1)Oc1cccc(C=CC(=O)c2ccccc2Cl)c1 2325717735 AGAUWPLKYAFXSF-UHFFFAOYSA-N 427.283 5.874 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3c(C)ccc(C)c3C)c2)cc1 2325719176 LFDRESWATJBUPH-UHFFFAOYSA-N 430.500 5.501 30 10 IKEE Cc1cccc(COc2ccc3c(c2C)OC(=Cc2ccc(-c4ccccc4)cc2)C3=O)c1 2325720805 KYWRQQLNLWQGGQ-UHFFFAOYSA-N 432.519 7.166 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccc(F)cc2)C3=O)c1 2325721625 KZZYNWUVSKZHCA-UHFFFAOYSA-N 431.463 5.385 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)CCCOc3c(C)cccc3C)c2)c(C)c1 2325736261 OAOMQVUSMOXQCH-UHFFFAOYSA-N 442.555 6.581 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2cccc(OC(=O)CC34CC5CC(CC(C5)C3)C4)c2)cc1 2325750745 HZXQJTSWPSLYBK-UHFFFAOYSA-N 442.599 7.218 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1OC(=O)c1cc(C)cc(C)c1 2325757239 RLWVQWWKCVLMHI-UHFFFAOYSA-N 444.527 6.053 30 10 IKEE CCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1N=Cc1cccc(F)c1 2325817442 YSGIBQSWLLKRQN-UHFFFAOYSA-N 442.560 5.297 30 10 IKEE C=C(C)CSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccc(OC)cc1 2327272344 AZNGFXPICQLQBA-UHFFFAOYSA-N 436.581 5.341 30 10 IKEE Cc1ccccc1CSc1nnc(CCCOc2ccccc2)n1N=Cc1ccco1 2328719759 OEELEWRRJONKJW-UHFFFAOYSA-N 432.549 5.366 30 10 IKEE Fc1ccc(CSc2nnc(Cc3ccc(Cl)cc3)n2N=Cc2ccncc2)cc1 2329077652 CHPQEJUMBYZIRC-UHFFFAOYSA-N 437.931 5.231 30 10 IKEE Cc1ccccc1CSc1nnc(CCOc2ccccc2)n1N=Cc1cccc(F)c1 2329157079 UYGCJGQGCHAVIN-UHFFFAOYSA-N 446.551 5.522 30 10 IKEE CCc1ccc(C=Nn2c(COCc3ccccc3)nnc2SCc2ccccc2)cc1 2329342793 XTDRYZRUQZFILA-UHFFFAOYSA-N 442.588 5.732 30 10 IKEE Fc1ccc(CSc2nnc(CCc3cccs3)n2N=Cc2cccc(F)c2)cc1 2329636437 FAVWEMVAVSVLAR-UHFFFAOYSA-N 440.544 5.578 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2cccc(C)c2)cc1 2329941862 HCNOWASTUNPPBL-UHFFFAOYSA-N 426.589 5.969 30 10 IKEE CCCN(CCC)C(=O)CSc1nnc(CC2CCCCC2)n1N=Cc1cccs1 2330282072 JQVYDTFQQIRBGX-UHFFFAOYSA-N 447.674 5.085 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(Cc3cccs3)n2N=Cc2ccccc2)cc1 2330363529 LWGXHJMAUOTMJF-UHFFFAOYSA-N 435.534 5.013 30 10 IKEE C=C(C)CSc1nnc(-c2cccs2)n1N=Cc1ccc(OC(C)C)c(OC)c1 2330580289 XILHSCWEANCBLR-UHFFFAOYSA-N 428.583 5.353 30 10 IKEE CC(C)COC(=O)CSc1nnc(-c2cccs2)n1N=Cc1ccc(C(C)C)cc1 2330603435 VTBXOUNZJWGLJA-UHFFFAOYSA-N 442.610 5.304 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccc2c(c1)CCCC2 2330679590 IMMGBLDVODXVNC-UHFFFAOYSA-N 440.583 6.583 30 10 IKEE CSCCCC(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1[N+](=O)[O-] 2330690038 DYLQNNHNZLNYQS-UHFFFAOYSA-N 439.533 5.418 30 10 IKEE COc1ccc(OC)c(C=Nn2c(CC(C)(C)C)nnc2SCc2ccc(F)cc2)c1 2330814626 REAFTMKZLAPUEE-UHFFFAOYSA-N 442.560 5.198 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(CC(C)(C)C)nnc1SCc1ccc(F)cc1 2330814692 YEIVKHBWUARESK-UHFFFAOYSA-N 440.588 5.968 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(Br)c1OC(=O)C1CCC1 2330940172 DORKBGATALIUNC-UHFFFAOYSA-N 449.728 5.713 30 10 IKEE C(=Nn1c(SCCc2ccccc2)nnc1[C@H]1CCCO1)c1cccc2ccccc12 2330970131 XUSUMKBSYBBVIZ-HSZRJFAPSA-N 428.561 5.500 30 10 IKEE C[C@@H](Oc1ccc(Cl)cc1)C(=O)Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1 2331084639 WBYIQVSYFQSYMF-OAHLLOKOSA-N 442.845 5.887 30 10 IKEE Cc1ccccc1CSc1nnc(C(F)(F)F)n1N=Cc1ccc(C(C)(C)C)cc1 2331115699 QNSFJSJLQGGMRY-UHFFFAOYSA-N 432.515 6.077 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(Cl)cc1 2331130118 UXCWHSWWBVJXRK-UHFFFAOYSA-N 441.310 6.507 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3)c(Br)c2)cc1 2331273789 POTYOZKDVJHUTJ-UHFFFAOYSA-N 449.344 6.192 30 10 IKEE CC(C)Cc1nnc(SCc2ccccc2Cl)n1N=Cc1ccccc1C(=O)O 2331456724 XZWNMWGLTWEOIB-UHFFFAOYSA-N 428.945 5.003 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2)c1 2331490132 VHLBREJQXZOZGU-UHFFFAOYSA-N 430.500 5.943 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)Cc1ccc(C)cc1 2331673365 KVRBAEHQCIEGQM-UHFFFAOYSA-N 444.527 5.673 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3cc(C)c(OC)cc3C)cc2)cc1 2331835396 DBFGSOXEIQQYPY-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1C 2331835427 KZYYKJFIXNJWTP-UHFFFAOYSA-N 445.471 5.644 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)c1ccccn1 2331863807 LXHLVIDKGGBMQR-UHFFFAOYSA-N 442.298 5.902 30 10 IKEE CCCN[C@H](C#CC1(SC)CCC1)c1scc(Br)c1Br 2361307971 DISMHLKOHRPDDB-GFCCVEGCSA-N 437.266 5.603 30 10 IKEE CN1/C(=C/C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)C(C)(C)c2ccccc21 3183568 JPFZBNKQODIPFU-LFVJCYFKSA-N 425.557 6.095 30 10 IKEE Cc1nc2n(n1)[C@@H](c1cc(F)cc(F)c1)C1=C(C[C@@H](c3ccc(C(C)C)cc3)CC1=O)N2 17098815 ZQVPXGXHBISGGP-OSPHWJPCSA-N 434.490 5.404 30 10 IKEE Cc1ccccc1N/C=C1/C(=O)c2sccc2N(Cc2ccc(Cl)cc2)S1(=O)=O 20575725 UCNGOQJPWXUHES-UNOMPAQXSA-N 444.965 5.196 30 10 IKEE O=C(NCCF)c1cncn1-c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 23433427 ZXOHFWAEULEKNJ-UHFFFAOYSA-N 445.338 5.276 30 10 IKEE C=CCC[C@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1 36304554 NEVFBBFLVGRZEP-QHCPKHFHSA-N 449.595 5.521 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)Nc3ccccc3C(F)(F)F)ccc21 38707373 KHIYRUQTFXROBM-UHFFFAOYSA-N 433.430 5.287 30 10 IKEE O=C1/C(=C/C=C/c2ccccc2)S/C(=N/N=C\c2ccc(F)cc2)N1Cc1ccco1 47137980 QAVUPNUAQBBVTH-SDEOMPJWSA-N 431.492 5.482 30 10 IKEE O=C1N/C(=N\c2ccc(F)cc2)S/C1=C\c1ccccc1OCc1cccc([N+](=O)[O-])c1 59106140 ZFENCXUSKSBHDP-BKUYFWCQSA-N 449.463 5.205 30 10 IKEE CCCCCCCCCCCCCCCCCCOC(=O)N[C@@H]1C=CS(=O)(=O)C1 59568227 GMPJAYIEDPPJKU-JOCHJYFZSA-N 429.667 6.285 30 10 IKEE CCCCn1c2ccccc2c2nnc(N/N=C/c3ccc(OCC)c(OCC)c3)nc21 64981464 ILZDZEVILCEDJB-PCLIKHOPSA-N 432.528 5.023 30 10 IKEE CN1/C(=C/C(=O)CCCCC(=O)/C=C2\Sc3ccccc3N2C)Sc2ccccc21 96581364 HNDDHEMDAHTJRE-MPKYGIEOSA-N 436.602 5.852 30 10 IKEE CCCCCCCCCCCCn1c(CCNC(=O)c2ccccn2)nc2ccccc21 102110404 VCDWEPACPAYYLT-UHFFFAOYSA-N 434.628 6.325 30 10 IKEE CCOc1ccc(/N=C2\S/C(=C\c3cc(C)n(C)c3C)C(=O)N2C2CCCCC2)cc1 103687067 IXCUEUGQJZAPJT-JTUXUYRKSA-N 437.609 5.977 30 10 IKEE Cc1ccccc1N/C=C1\C(=O)c2sccc2N(Cc2ccc(Cl)cc2)S1(=O)=O 105336647 UCNGOQJPWXUHES-XDHOZWIPSA-N 444.965 5.196 30 10 IKEE C=CCSc1ccccc1NC(=O)c1cc(Br)ccc1Br 160160969 CUSWEUABNXVIHN-UHFFFAOYSA-N 427.161 5.742 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccc(OC)cc2)cc1 169922959 HCIUATGYAACESP-XMMPIXPASA-N 443.499 5.185 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2OC)cc1 169942260 UVWYOUPRTBMZMN-HSZRJFAPSA-N 447.918 5.694 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)CCc2ccccc2)=C(O)C(=O)N1c1cc(C)ccc1C 169943909 HKLQDBRWTFFJNT-SANMLTNESA-N 441.527 5.414 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2OC)c1 169944535 IUQFOLDMSVIYNK-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(OC(C)C)cc2)cc1 169977453 USKRDXUSGGQJNA-DEOSSOPVSA-N 427.500 5.565 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccncc2)cc1 170016519 XGWDLISUDRQARH-JOCHJYFZSA-N 432.907 5.641 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(O)cc1 170133511 ZJJZGSJWVBFAFM-DEOSSOPVSA-N 443.499 5.271 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccncc1 170203657 AUNJYEJCFRAKFK-OAQYLSRUSA-N 448.906 5.143 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccncc2)cc1C 170206407 CSBDRKGREVBORV-XMMPIXPASA-N 442.515 5.270 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccccc2)c1 170221510 HGAGYABAOLUYTR-VWLOTQADSA-N 435.479 5.631 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2)c1 170223333 KCHMPHFRODIDIW-XMMPIXPASA-N 445.490 5.643 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccccc2)c1 170224083 VGHRMDADYYIRDW-DEOSSOPVSA-N 427.500 5.565 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(OC)ccc3Cl)[C@H]2c2ccccc2)cc1 170224377 ALNLTFMZFAHEDD-HSZRJFAPSA-N 447.918 5.694 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccc2)c1 170228689 YZFZWJXCKWQFID-XMMPIXPASA-N 427.500 5.567 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1F 170248239 KAUNETWOYOLUIQ-JOCHJYFZSA-N 435.426 5.065 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1cccc(O)c1)c1cccc2ccccc12 170257819 DXATZIFFSBNRQM-XMMPIXPASA-N 439.442 5.467 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccc(O)c2)cc1 170259565 KOAHDOYZIZOREK-XMMPIXPASA-N 443.499 5.272 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cccc(O)c1)c1cc2cc(Cl)ccc2o1 170264410 RSYMQBBJRPBSFL-OAQYLSRUSA-N 437.879 5.313 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccc(C)o2)cc1 170300623 LVCOPUVSRZOPIW-DEOSSOPVSA-N 445.515 5.721 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccc(C)o2)cc1 170301768 SBEUAEUNSLEIFN-QHCPKHFHSA-N 431.488 5.386 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1c1ccc(F)cc1 170313932 ZOWJJTFLBSRWSR-QFIPXVFZSA-N 443.499 6.132 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2sccc2C)c(C)c1 170314143 MDBKCZIBKRVUGE-NRFANRHFSA-N 433.529 5.465 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(OCC(C)C)cc2)c1 170350039 FWUYTOPMQDQXCX-HSZRJFAPSA-N 431.488 5.406 30 10 IKEE Cn1cc(CCN2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccs2)c2ccccc21 170415420 LYILLCXHOWUCKS-NRFANRHFSA-N 448.569 5.122 30 10 IKEE CN(C)c1ccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(C(F)(F)F)cc2)cc1 170445719 JEUDTSJBFYJJMJ-IBGZPJMESA-N 446.469 5.287 30 10 IKEE Cc1cc(C)c2nc(-n3ncc(C#N)c3Nc3nc4ccccc4nc3Cl)cc(C)c2c1 170547213 KPXLINXTVQSUTN-UHFFFAOYSA-N 439.910 5.558 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1CCCC[C@H]1CN1C(=O)c2ccccc2C1=O 170556466 GYIFMVMPDJRHNQ-SFTDATJTSA-N 426.601 5.346 30 10 IKEE CCCCCCCOc1ccc(OC(=O)c2ccc(OCCCCCC)c(C#N)c2)cc1 205889307 WMPIOHOUSHYNFU-UHFFFAOYSA-N 437.580 7.086 30 10 IKEE Cc1ccc2nc(-c3ccc(N=Cc4ccc(-c5cccc(Cl)c5)o4)cc3)sc2c1 252594991 BWVWUVLRNZZABV-UHFFFAOYSA-N 428.944 7.936 30 10 IKEE C[C@]12CC[C@H](OS(=O)(=O)c3ccc(F)cc3)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)CCC[C@H]12 254507621 BNXIOYCVQJVXLJ-OTRLCWIBSA-N 434.617 6.332 30 10 IKEE CCCCCCc1ccc(C(=O)Oc2ccc(C=Nc3ccc([N+](=O)[O-])cc3)cc2)cc1 254582512 QGIOVAQZOFKZQV-UHFFFAOYSA-N 430.504 6.687 30 10 IKEE Cc1ccc(C=Nc2cccc3c2C(=O)c2cccc(C=Nc4ccc(C)cc4)c2C3=O)cc1 254856006 WXVMZGUFLBWDFA-UHFFFAOYSA-N 442.518 6.580 30 10 IKEE CCCCCCC[C@@H](C=O)/C(=N/N)c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1 514278212 RYTMKQMUVXSLFS-UPWLQVFWSA-N 449.378 6.051 30 10 IKEE N#C[C@@]12C=C3CCCC(/C=N\C4CCCCC4)=C3NC1=C(/C=N\C1CCCCC1)CCC2 606631454 VWPBVELXCJQXGP-BFGLFIIXSA-N 430.640 6.709 30 10 IKEE C[C@@H]1c2ccccc2C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 698968589 YOBJYYJPQAMOQJ-QRQCRPRQSA-N 427.342 5.813 30 10 IKEE CC(C)(C)OC(=O)N(C1CCC1)[C@H](C#N)c1cc(Br)cc(Br)c1 712367075 RPXMNGJCJZJECO-OAHLLOKOSA-N 444.167 5.566 30 10 IKEE CC(=O)N(c1nc(/C=C2/Oc3cc(F)cc(F)c3C2=O)cs1)c1ccc(F)cc1F 758028043 BOZQSRXIPOXMAH-REZTVBANSA-N 434.370 5.000 30 10 IKEE O=C1/C(=C\c2ccc(N3CCCCC3)o2)SC(=Nc2ccccc2)N1c1ccccc1 1084101117 BGJAFRNNYGUZSJ-JRJJZIQSSA-N 429.545 6.079 30 10 IKEE C=CCN(Cc1cccs1)C(=O)/C=C\c1cn(Cc2ccccc2)nc1-c1cccnc1 1086879810 YFJJYZJRGQJRGN-SEYXRHQNSA-N 440.572 5.283 30 10 IKEE Cn1cccc1/C=C1/SC(=Nc2nc(-c3ccccc3)cs2)N(c2ccccc2)C1=O 1772733516 BYPDZRNUKUPTLN-LLLXPECQSA-N 442.569 5.957 30 10 IKEE C=CCN1C(=O)/C(=C(/C)c2ccc(OC)cc2)SC1=Nc1nc(-c2ccccc2)cs1 1772739950 WXTSKYOPFWWQPU-NUPZHTTHSA-N 447.585 5.999 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc3c(OC(=O)NC4CCCCCCC4)cccc23)c1 1858944605 IXBGANDBEKBQDO-UHFFFAOYSA-N 441.531 6.165 30 10 IKEE Cc1cccc(NC(=O)[C@@H](C)Sc2nc(O)c(C#N)c(-c3cccc(Cl)c3)n2)c1C 1860463466 BCOCNONMKXFZGE-CQSZACIVSA-N 438.940 5.110 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2c(F)cc(F)cc2F)n(Cc2cc(C)ccc2C)n1 1862344061 WCKBLKJBJFUEIA-UHFFFAOYSA-N 439.481 5.447 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2cccc3ccccc23)n(Cc2ccc(F)cc2)n1 1862370977 BOKPWSRDLCTZQE-UHFFFAOYSA-N 425.507 5.705 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1c(F)cccc1Cl 1862404514 COZUROSLMGFRNX-XCLFUZPHSA-N 431.891 5.173 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc2cc[nH]c2c1)c1c(F)cc(F)cc1F 1862463528 IGZOCCFDILMYKT-OAQYLSRUSA-N 440.421 5.106 30 10 IKEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccccc2C)cc1 1862475317 IRXVDKVVCAITNQ-UQBPGWFLSA-N 441.527 5.652 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccc(F)cc2F)cc1 1862477904 VETVQQNIWSDXPI-JOCHJYFZSA-N 437.417 5.191 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccc([N+](=O)[O-])c2)c1 1862492514 UCURUSOZEOMLMR-NRFANRHFSA-N 448.500 5.052 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2cccc(F)c2)cc1 1862501757 JVTKOJLMVAZPIY-XMMPIXPASA-N 447.481 5.403 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(OCC)cc1 1862506053 ILSVAFNMXZQRQD-QHCPKHFHSA-N 439.527 5.691 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(C(C)C)cc1 1862526425 GJUDTRYLDYCHCN-LJQANCHMSA-N 428.326 5.171 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2ccccc2Cl)cc1 1862560851 NIIROACRMSGJCD-QHCPKHFHSA-N 446.934 5.052 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc2cc[nH]c2c1 1862583601 FWJDXMJYYYJDCF-YUNKPMOVSA-N 443.330 5.852 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2cccc(Cl)c2)cc1 1862589979 XYXRCPFPANVITR-QFIPXVFZSA-N 433.891 5.133 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2cccc3ccccc23)cc1F 1862644074 BTKLCCYWCLPNBQ-HSZRJFAPSA-N 433.479 5.222 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc([N+](=O)[O-])cc1 1862653889 HWIYEJPARQCDIP-JOCHJYFZSA-N 430.460 5.126 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(N(C)C)cc1 1862677563 CJFZJAYRKHBVCU-XDHUDOTRSA-N 444.506 5.231 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccc(OC)cc3)[C@@H]2c2ccccc2)cc1 1862688357 WPNZKLVBFMXINJ-MZNJEOGPSA-N 443.499 5.043 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1cccc(C)c1 1862699188 RPWLDDRAPKDDQU-XUZZJYLKSA-N 435.564 5.941 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1cc(Cl)cc(Cl)c1)c1ccc2ccccc2c1 1862720707 CCHAMJRYMYYXME-OAQYLSRUSA-N 438.310 5.887 30 10 IKEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@@H]2c2cccc(O)c2)cc1 1862732508 HRHFGMPMCVWDOM-HSZRJFAPSA-N 437.536 5.340 30 10 IKEE Cc1ccc(NC2=C(c3ccccc3Cl)C(=O)N(c3ccccc3C#N)C2=O)c(C)c1 1863083933 YGVJLNBFELLDJP-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C(C)C)cc2)=C(c2ccc(C)cc2)C1=O 1863269916 ZOYBLWOJTLPSJX-UHFFFAOYSA-N 432.608 6.671 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1cc(OC)ccc1C(=O)O 1866029795 IJERKDAWEAOSIK-UHFFFAOYSA-N 433.633 7.593 30 10 IKEE CC[C@](C)(NC(=O)c1ccc(-c2cc3ccccc3[nH]2)cc1)C(=O)Nc1cccc(C#N)c1 1867064851 YTFRNZFDTFTHGS-MHZLTWQESA-N 436.515 5.244 30 10 IKEE COc1cccc(-c2nc(Nc3cccc(C#N)c3)cc(N3C[C@H](C)Cc4ccccc43)n2)c1 1868495805 PSDRMCADSFCINZ-LJQANCHMSA-N 447.542 6.098 30 10 IKEE CCCCCCCCCCn1cc(OCCO)c(=O)cc1CNc1cc(C)ccc1C 1870791597 DEALJBCTAZCCDM-UHFFFAOYSA-N 428.617 5.589 30 10 IKEE C=CCOc1cn(CCc2ccccc2)c(CNc2ccc(OC(F)(F)F)cc2)cc1=O 1870809899 AXDCPVGJUDXNEI-UHFFFAOYSA-N 444.453 5.167 30 10 IKEE C=CCn1cc(OCc2cccc(Cl)c2)c(=O)cc1CNc1cccc(Cl)c1C 1870827099 GRIKYXWBYVTMDG-UHFFFAOYSA-N 429.347 5.841 30 10 IKEE CCCCCCCCNC(=O)CCN1C(=O)/C(=C\c2ccccc2)N=C1c1ccccc1 1871276843 LUFVTPQGVPYHGE-DARPEHSRSA-N 431.580 5.183 30 10 IKEE Cc1ccc(CCN2COc3cc(C)c4c(c3C2)O/C(=C\c2cccc(F)c2)C4=O)cc1 1871347928 FOCUBNJHVMCKEC-OYKKKHCWSA-N 429.491 5.453 30 10 IKEE CCCCOc1ccc2c(c1C)O/C(=C\c1cc(Br)cc3c1OCOC3)C2=O 1871399485 MTHRXLOKWWBARK-GRSHGNNSSA-N 445.309 5.419 30 10 IKEE CCCCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O 1871400887 NTYWTXNYMQCENQ-ODLFYWEKSA-N 435.303 5.640 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3cc(OCCOc4cccc(C)c4)ccc3C2=O)c1 1871407515 OSGPLSJIBOYIMR-MYYYXRDXSA-N 432.472 5.086 30 10 IKEE CCCCCOC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(Cl)cc1Cl)C2=O 1871427239 UJWZAFQCJDGBFS-JAIQZWGSSA-N 449.330 6.030 30 10 IKEE CC(C)CCOC(=O)CCOc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O 1871429539 RLYPAZUHKPBQRS-NHDPSOOVSA-N 449.330 5.968 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3cc(OC(c4ccccc4)c4ccccc4)ccc3C2=O)cc1 1871430153 AWAYRLYWAAQOLL-CEUNXORHSA-N 446.546 7.595 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(C(C)C)cc2)ccc2c1O/C(=C\c1ccccc1)C2=O 1871435686 YBCOZXPSMWNXGU-IWIPYMOSSA-N 427.500 5.752 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OCCc4ccc(C)cc4)c3C)C2=O)c(OC)c1 1871437581 KOCQHMLUUHIULK-MYYYXRDXSA-N 430.500 5.558 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(F)c(F)c2)cc2c1C(=O)/C(=C/C=C/c1ccccc1)O2 1871443508 UTOYBXCOJRKURY-UPFJJGCZSA-N 447.437 5.463 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccccc4C(C)C)c3C)C2=O)o1 1871455986 HCYFJGAUORAFIY-QRVIBDJDSA-N 431.488 5.654 30 10 IKEE CCCCCCCCN=c1nc(N(CCCC)CCCC)[nH]c(=Nc2ccccc2)[nH]1 1871599318 JBSRIDYNOXNSIB-UHFFFAOYSA-N 426.653 5.638 30 10 IKEE CCCCCCCCN=c1nc(N2C[C@H](C)C[C@@H](C)C2)[nH]c(=Nc2ccc(C)cc2C)[nH]1 1871602579 WFHOWBPUCBUNKR-NHCUHLMSSA-N 438.664 5.331 30 10 IKEE CCCCCCCCN=c1nc(N(CC)CCCC)[nH]c(=Nc2ccc(F)c(F)c2)[nH]1 1871683461 WRBSWGKLWBCKHQ-UHFFFAOYSA-N 434.579 5.136 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(OCC)cc3)n2)cc1 1872762289 IMWJABWYWMVWMS-UUFSLDAJSA-N 430.573 6.441 30 10 IKEE COc1cccc(-c2csc([C@@H](C#N)C(=O)c3c(Cl)ccc(Cl)c3OC)n2)c1 1872762497 ONKOHTOTUXVBEO-ZDUSSCGKSA-N 433.316 5.624 30 10 IKEE Cc1cc(C(=O)[C@H](C#N)c2nc(-c3cccc(Br)c3)cs2)ccc1[N+](=O)[O-] 1872763254 HXXDMYSQFCHBEH-HNNXBMFYSA-N 442.294 5.279 30 10 IKEE CC(C)c1ccccc1O[C@@H](C)C(=O)[C@H](C#N)c1nc(-c2cccc3ccccc23)cs1 1872775229 MAQIQTJLVCBWTH-MBSDFSHPSA-N 440.568 6.730 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@H](C#N)C(=O)CCCOc2ccc(C)cc2)n1 1872781446 TZNFKUVPXYWZIT-OAQYLSRUSA-N 434.561 5.779 30 10 IKEE CCCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc1OCC 1872783196 UOQDYTUEQSKBTG-NRFANRHFSA-N 448.588 6.495 30 10 IKEE Cc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(C)c(C)c3)cs2)c(C(C)(C)C)c1 1872783396 YWHQIFHHPNEVFU-FQEVSTJZSA-N 432.589 6.288 30 10 IKEE COc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1 1872785347 LAEIHRJYLFIDIP-OAHLLOKOSA-N 447.343 5.553 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)CCCOc3ccccc3C)n2)cc1C 1872787693 PJYODGLYJRUGHV-HXUWFJFHSA-N 434.561 5.779 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@@H](C#N)C(=O)c2ccc(Cl)c(Cl)c2)n1 1872788729 PAMMDRVTMDJQHZ-ZDUSSCGKSA-N 437.735 6.269 30 10 IKEE CCCCCN1C(=O)C(Nc2cccc(C#N)c2)=C(c2c(Cl)cccc2Cl)C1=O 1873287271 MZIFZZPIBSMQTE-UHFFFAOYSA-N 428.319 5.247 30 10 IKEE C=CCN1C(=O)C(Nc2cccc(C(F)(F)F)c2)=C(c2cccc(Cl)c2Cl)C1=O 1873341832 SGNPTCQGWBVEQN-UHFFFAOYSA-N 441.236 5.390 30 10 IKEE COc1cc(/C=N/Nc2oc(-c3cccs3)nc2C#N)ccc1OCc1ccccc1F 1873462021 KAJCFBXCYIEFGK-LGJNPRDNSA-N 448.479 5.447 30 10 IKEE N#Cc1nc(Cc2cccc3ccccc23)oc1N/N=C/c1cccc(Oc2ccccc2)c1 1873464096 XGACSMCVMDVGKM-NDZAJKAJSA-N 444.494 6.529 30 10 IKEE C=CCn1c(-c2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)nc2ccccc21 1873519999 RCHWSWLNNVSODD-UHFFFAOYSA-N 439.342 6.784 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccc(O)cc1 1874214558 SAIFROQUZCCUKC-HZHRSRAPSA-N 430.961 5.033 30 10 IKEE CCCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1cccc2ccccc12 1874296687 MYTWRZJWRBGWEG-LFVJCYFKSA-N 431.521 5.315 30 10 IKEE CCCSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1cc(Cl)ccc1O 1874328155 ZLMJVWBUJXHOSQ-FSJBWODESA-N 430.961 5.217 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1cccc(OCC)c1 1874330626 VZCGGTGUWKKNCD-WGOQTCKBSA-N 434.609 5.629 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1ccc(Cl)cc1Cl 1874358198 UMNFPSACWFZPQR-BRJLIKDPSA-N 445.419 6.343 30 10 IKEE Fc1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2F)cc1 1874379960 UZPXMPMEWNFILS-MZJWZYIUSA-N 438.478 5.461 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(CCc3ccccc3)nnc2SCCc2ccccc2)c1 1874403816 ULINBVNVPYKGLT-ZXVVBBHZSA-N 442.588 5.294 30 10 IKEE Fc1ccccc1CSc1nnc(CC2CCCCC2)n1/N=C/c1ccccc1Cl 1874408138 ITTZQWHXYRFLOE-CVKSISIWSA-N 442.991 6.368 30 10 IKEE Cc1cccc(CSc2nnc(Cc3cccs3)n2/N=C/c2ccccc2Cl)c1 1874410247 KIMBEHKQMQTQKE-ZVHZXABRSA-N 439.009 6.067 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCc3ccccc3C)nnc2C(C)(C)C)cc1 1874483383 SLWFBASHCDUSKL-YZSQISJMSA-N 436.625 6.237 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2c[nH]c3ccccc23)c1C 1874509926 CGFZNYKBMYKBPM-LGJNPRDNSA-N 446.580 5.113 30 10 IKEE COc1ccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C(C)C)cc1 1874514210 NBTWLFIDMCIVEC-FOKLQQMPSA-N 435.380 5.891 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CC2)c(OC)c1 1874519994 WMWQKLJLUSGCSP-FSJBWODESA-N 428.945 5.001 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3ccccc3c2/C=C/C(=O)c2ccccc2)c1C 1874578399 MBAAOEHXGSRDFB-WUKNDPDISA-N 435.523 6.370 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2cccc3ccccc23)c1OCc1ccccc1C 1874583215 CEPHAKQXAGXWAO-CCEZHUSRSA-N 442.942 7.285 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(F)cc2)c1 1874583901 LZCGFDHNWDPBBH-YRNVUSSQSA-N 437.898 6.010 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2C)c(C)c1 1874589728 ACHLQBVOIUSKHF-PKNBQFBNSA-N 447.962 6.487 30 10 IKEE CCc1ccccc1NC(=O)COc1cccc(/C=C/C(=O)c2c(C)cc(C)cc2C)c1 1874599884 JHHHCKSOGKRXMB-BUHFOSPRSA-N 427.544 6.088 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)c(OC)c1OC 1874601303 CREUNRRKJINBIZ-UKTHLTGXSA-N 449.459 5.096 30 10 IKEE Cc1ccccc1COc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1Cl 1874607729 CJZHIQGPYBSBIA-WUXMJOGZSA-N 441.752 6.886 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(OC)c1OCc1cccc(C)c1 1874614216 LAPWOQSCBDRUQM-NTEUORMPSA-N 432.947 6.861 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OCc3c(F)cccc3Cl)c(Cl)c2)c1 1874618210 PHWIGZNCNDHAMQ-CSKARUKUSA-N 429.318 7.224 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Cl)c1OCC(=O)N(CC)CC 1874620232 OZYHSYKVNULJNP-DHZHZOJOSA-N 447.934 5.330 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OCc1ccc(C)cc1 1874626572 LPWDEBLKFQNLTK-SDNWHVSQSA-N 430.544 6.494 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 1874631556 IVCZZIDAELXBQX-XYOKQWHBSA-N 447.487 5.704 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)ccc1OCc1ccc(F)cc1 1874633878 ZAKLVXWQWJSNAG-UXBLZVDNSA-N 440.898 6.280 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3c(C)cc(C)cc3C)cc2Cl)cc1 1874633937 CGGBEQPAJDYLMO-YRNVUSSQSA-N 447.962 6.487 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)c2ccccc12 1874638570 GRPWXLUNQFEZCF-MDWZMJQESA-N 446.905 7.116 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)CSc1ccccc1 1874692993 HYPXSFUWIDCETN-ZRDIBKRKSA-N 449.484 5.197 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccc(C)cc3)c2)cc1OC 1874694121 MNZOZBRQJLGVDI-FMIVXFBMSA-N 446.499 5.065 30 10 IKEE C=CCN(CC=C)CCC(=O)c1ccc(NC(=O)c2ccc(OCCCCCC)cc2)cc1 1874751027 NTBVIOVIALCOLY-UHFFFAOYSA-N 448.607 6.145 30 10 IKEE CCCCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2cccc(OC)c2)cc1OC 1875100408 ANKNAHNSYVNEDP-ZHACJKMWSA-N 447.325 5.458 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(Cl)cc3)c(Cl)c2)c1 1875102871 RCUKAFBQQSZWBN-YRNVUSSQSA-N 441.310 6.046 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 1875115282 WBAAPBHDAMDIMD-NTUHNPAUSA-N 447.443 5.117 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)cc([N+](=O)[O-])c1OC(=O)CC(C)(C)C 1875119267 MASYAQIHQSKWPY-VAWYXSNFSA-N 441.480 5.240 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)c1ccc(C)cc1 1875134717 HAPDYWWBVNGFBN-UKTHLTGXSA-N 448.946 6.779 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)c1ccc(C)cc1 1875141266 VTYANPFBSIBRHR-KPKJPENVSA-N 434.463 5.575 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)ccc1OC(=O)c1ccc(C)cc1 1875152247 PAYOKMIWYGTDGW-KPKJPENVSA-N 434.463 5.657 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc(OC)c1OC(=O)C1CCCC1 1875153414 FWDTXEICTDMVEG-ZRDIBKRKSA-N 438.495 5.563 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 1875156816 JQBDXMPWWWDYST-RIYZIHGNSA-N 445.471 5.842 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)Cc1ccc(F)cc1 1875157744 MRBXBJQZKOQJNR-NYYWCZLTSA-N 442.845 5.671 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])c1 1875158213 KYBDXEMDHSMDCK-VZUCSPMQSA-N 433.435 5.395 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)c1ccncc1 1875162338 IJEAZWPWWPXKQQ-ZZXKWVIFSA-N 443.833 5.527 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)c1cccc(F)c1 1875171077 FIMSXGHSBJPCRK-PKNBQFBNSA-N 448.490 5.965 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3C)cc2)c(OC)c1OC 1875194467 TUXMHMKWKGQPMJ-RVDMUPIBSA-N 432.472 5.136 30 10 IKEE O=C(Nc1ccc(F)cc1Br)c1cccc(C(F)(F)F)c1C(F)(F)F 1889902815 PZGWSKKWOMKZGV-UHFFFAOYSA-N 430.117 5.878 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@H](C#N)c1c(Cl)cccc1Br 1912156568 MSWVPUCWWXQXDT-CYBMUJFWSA-N 428.718 5.605 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](O)c1cccc(NC(=O)OC(C)(C)C)c1 1922056867 GLFGQTRABIHCAH-RPWUZVMVSA-N 440.584 5.208 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](O)c1ccccc1NC(=O)OC(C)(C)C 1922057339 LAOUOYAGBKOATQ-DNQXCXABSA-N 440.584 5.208 30 10 IKEE C=C(COCc1ccccc1)[C@@H](Cc1ccccc1CNC(=O)OC(C)(C)C)NCCC 1922081111 UPPBWQNKESXKQY-RUZDIDTESA-N 438.612 5.395 30 10 IKEE C=C(COCc1ccccc1)[C@H](CCc1cnc(NC(=O)OC(C)(C)C)s1)NCCC 1922103961 PBXMVPMFQUNJID-NRFANRHFSA-N 445.629 5.564 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1943898053 ZWAPEBAQZQUXJN-JPYJTQIMSA-N 449.979 5.811 30 10 IKEE CCCN[C@H](CC#CC(C)(C)C)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1947476854 WRPMDNJTCDXVCH-PKTZIBPZSA-N 430.633 5.294 30 10 IKEE CC(C)(C)OC(=O)N(CCNc1ccc(Br)cc1C#N)OCc1ccccc1 1955808802 JTDRPXGVFDRWSX-UHFFFAOYSA-N 446.345 5.102 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1 2022132369 BZWUZYYAGDZAOU-CYFREDJKSA-N 429.561 5.276 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C)([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 2022136909 XBQPGAKJHTXWPY-WZONZLPQSA-N 449.979 5.621 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@](C)(NC(=O)OC(C)(C)C)C1CCCCC1 2024527811 LFCDXIXVSCWLKC-BVAGGSTKSA-N 430.633 5.601 30 10 IKEE CC[C@@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2C)CN1C(=O)OC(C)(C)C 2040669133 XNXLQVGREVHCBJ-KBMIEXCESA-N 443.588 5.808 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)[C@H]1C1CC1 2067979399 JQVFCLMFUTXWDR-DVECYGJZSA-N 445.535 5.249 30 10 IKEE COC(=O)c1c(C(F)(F)F)nn2c(Cl)cc(-c3c(F)cccc3C(F)(F)F)nc12 2081199990 GATLZABKZJEGAW-UHFFFAOYSA-N 441.690 5.013 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1nc(C(C)C)[nH]c1Br 2143946031 FAYIQCCVFXGRHM-HUUCEWRRSA-N 443.430 5.196 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)C1CC2(C1)CC(F)(F)C2 2158846607 QWCADUIIRRLTKF-INIZCTEOSA-N 441.316 5.908 30 10 IKEE Cc1cc(Br)c(C(=O)Nc2cccc(C#N)c2)cc1NC(=O)OC(C)(C)C 2181047571 PDONLSVZCXEPSG-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE CN(C(=O)OC(C)(C)C)[C@H]1CCCC[C@@H]1N(C)c1cc(Br)cc(F)c1C#N 2203605764 GXXAISTZOSTDEC-IRXDYDNUSA-N 440.357 5.074 30 10 IKEE N#C[C@@H](C(=O)c1cc(Br)c(Cl)s1)c1ccc(Br)cc1F 2206171355 NSZLDWDIENXLKH-MRVPVSSYSA-N 437.515 5.556 30 10 IKEE C=C(C)C[C@H](NCCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229122299 FKIBBFOVTRLCPW-OALUTQOASA-N 425.411 5.219 30 10 IKEE C=CCC[C@@H](C)[C@@H](NC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229131303 ZIAOYJXVLJDOAK-AYOQOUSVSA-N 425.411 5.075 30 10 IKEE CC1(C)OB(c2cccnc2Nc2c(Cl)cc(Cl)cc2Br)OC1(C)C 2232268797 QHKZRKNWEMIQJO-UHFFFAOYSA-N 443.965 5.194 30 10 IKEE C=C(C(=O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)c1ccccc1 2237431657 WTBCNVXRPCKAEA-LJQANCHMSA-N 430.342 5.167 30 10 IKEE C=CC[C@@H](C)[C@@H](NCCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237434001 VETKLCTZFRFUJC-LSTHTHJFSA-N 439.438 5.465 30 10 IKEE C#C[C@@H](C)[C@H](OCCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2275035956 ZNEPGRVQLHSPJW-PIKZIKFNSA-N 444.527 5.646 30 10 IKEE CC(C)c1cc(Br)cc([C@@H](C#N)N(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)c1 2280730477 KPHOPGFGTHDWMZ-RBUKOAKNSA-N 437.378 5.553 30 10 IKEE CCCCCCCCCC[C@](C)(N)c1cc(Br)c(Br)s1 2281194520 KHVUKVLKUVYEAN-INIZCTEOSA-N 425.274 6.978 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(F)c(C(=O)N(Cc2ccccc2)c2ccccc2)c1 2282025111 KLYDLSGNHDPNDE-UHFFFAOYSA-N 445.343 5.280 30 10 IKEE C=C(C)CCCC[C@H](NC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2287468552 WBSVVZVAAIMKGG-PMACEKPBSA-N 439.438 5.609 30 10 IKEE C[C@H]1C[C@@H](C)CN(Cc2c(O)ccc3c2OC(=Cc2ccc(Cl)cc2Cl)C3=O)C1 2296596512 ASMRQDHESBTGRW-OKILXGFUSA-N 432.347 5.793 30 10 IKEE N[C@H](C#Cc1cccs1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2300798900 WWTVREYXCLAPPU-RUZDIDTESA-N 425.553 5.958 30 10 IKEE C[C@@H](COCc1ccccc1)COCc1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2301856570 LNQBUDZJDVYRPI-SFHVURJKSA-N 430.781 5.009 30 10 IKEE CC(C)(C)OC(=O)NC1([C@@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)CCCCC1 2302437781 SAJYWIYHVPKNTN-GOSISDBHSA-N 449.617 5.605 30 10 IKEE Cc1ccc(C)c(COc2ccc3c(c2)OC(=Cc2ccccc2Br)C3=O)c1 2314437504 NZSZRWPZYKBJQR-UHFFFAOYSA-N 435.317 6.261 30 10 IKEE CCCN[C@@H](C#CCSC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2314639616 QGUZZFZDUUNKIX-INIZCTEOSA-N 427.408 5.203 30 10 IKEE O=C(C=CC(=O)c1ccc(Br)cc1)Nc1cc(C(F)(F)F)ccc1Cl 2318403859 STOVHZOUMCEBAY-UHFFFAOYSA-N 432.623 5.499 30 10 IKEE CN[C@H](C#C[C@H]1CC1(F)F)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2318518970 NIHIFAYOTBRABH-BJKOFHAPSA-N 433.498 5.764 30 10 IKEE CCCOc1ccc(C=Nn2cnnc2SCc2cccc3ccccc23)cc1OCC 2318571376 JHNJANHLFWWOSK-UHFFFAOYSA-N 446.576 5.793 30 10 IKEE Cc1cc(C)cc(OCCN2COc3ccc4c(c3C2)OC(=Cc2ccccc2)C4=O)c1 2322193134 IJHHSNIDNADARJ-UHFFFAOYSA-N 427.500 5.151 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc3c(c2)CCCC3)c1OCc1ccc(C)cc1 2322335708 ULVFFMVQCZNQCK-UHFFFAOYSA-N 446.974 7.011 30 10 IKEE CCCOc1c(C=CC(=O)c2ccc(OC)c(OC)c2)cc(Br)cc1OC 2322350325 CHFYXAZFSSSBNO-UHFFFAOYSA-N 435.314 5.160 30 10 IKEE Cc1ccc(C)c(COc2ccc(Cl)cc2C=CC(=O)c2ccc(Cl)c(Cl)c2)c1 2322585617 GKSHIQJNEGTSRM-UHFFFAOYSA-N 445.773 7.739 30 10 IKEE C=CCOc1ccc2ccccc2c1C=CC(=O)c1ccc(OCCCCCCC)cc1 2322760108 XJISSXSGKVPOEN-UHFFFAOYSA-N 428.572 7.650 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(ccc(OC(=O)c4ccncc4)c3C)C2=O)cc1 2322828487 QCFGZFFKOYYSOC-UHFFFAOYSA-N 428.488 5.072 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(ccc(OC(=O)Cc4ccccc4)c3C)C2=O)cc1 2322884788 VQWWSKGQVSLOAR-UHFFFAOYSA-N 441.527 5.606 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)c4cccc(Br)c4)ccc3C2=O)cc1 2322930407 ZJCJQKAOWGRLCB-UHFFFAOYSA-N 449.300 5.847 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OCC(=O)Nc3ccccc3C)c2)cc1C 2323323690 VSCLZSXUAOIAKJ-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OC(=O)C(Cl)=Cc3ccccc3)ccc2C1=O 2323438000 BXCNONZJVTVWCD-UHFFFAOYSA-N 446.886 5.887 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)COc4ccc(Cl)cc4)c3C)C2=O)cc1 2323536210 XCAGESNCNKKFLG-UHFFFAOYSA-N 434.875 5.557 30 10 IKEE CCCOc1c(Br)cc(C=CC(=O)c2ccc(OC)c(C)c2)cc1OCC 2323579862 IUDGYKLICSWQSC-UHFFFAOYSA-N 433.342 5.850 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)cc(Cl)c1OCc1ccc(C)cc1 2323702428 BRSPOIVSAJVCKN-UHFFFAOYSA-N 436.935 6.531 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1Cl 2323790236 BIRFRWOKOCWURD-UHFFFAOYSA-N 434.363 5.917 30 10 IKEE CCCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C)o2)C3=O)c1 2323921194 QBMDDZYGIGZJCU-UHFFFAOYSA-N 432.428 5.129 30 10 IKEE CCCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2)C3=O)c1 2323921397 ABBQRTLQJAFGBA-UHFFFAOYSA-N 442.467 5.536 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)c(Cl)c1 2324456098 UMTCUJZPRGQLQI-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OCC(=O)Nc2nccs2)cc1 2324505554 FFWNQWZRIQDCED-UHFFFAOYSA-N 442.924 5.027 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3F)cc2)cc1C 2324627996 KEWHKZJFMLIQTM-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE CCn1cc(C=C2Oc3cc(OCCOc4ccccc4F)ccc3C2=O)c2ccccc21 2324853092 RUHNKPADDYKHNN-UHFFFAOYSA-N 443.474 5.874 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1cccc(F)c1)C2=O 2325005243 RSNWMMRONHSQNJ-UHFFFAOYSA-N 445.490 5.639 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1ccc2c(c1C)OC(=Cc1cccc(C)c1)C2=O 2325093153 HIMQLZOWLHYWSX-QFIPXVFZSA-N 436.548 6.201 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(N(C)C)cc1 2325532257 WVJBKTCKIMVYDH-UHFFFAOYSA-N 443.620 6.014 30 10 IKEE CCOc1cccc(C=CC(=O)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 2325652719 GEGCULMWLZTOAW-UHFFFAOYSA-N 431.332 5.344 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1OC(=O)[C@H]1CCCO1 2325668912 QUUQLCOPTRVBIY-RUZDIDTESA-N 428.484 5.343 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1)c1ccccc1Cl 2325717896 JRGMUHNGTFBAIF-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1OC(=O)COc1ccc(C)c(C)c1 2325750926 WYBNXVUCNRZNTG-UHFFFAOYSA-N 434.463 5.332 30 10 IKEE CCOc1cc(C=Nn2cnnc2SCc2ccccc2F)cc(Cl)c1OC(C)C 2326256450 FOEMIUURDFUNGT-UHFFFAOYSA-N 448.951 5.431 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccccc2F)c(C)c1 2326460896 QNBNQORJIGMVQR-UHFFFAOYSA-N 430.552 5.799 30 10 IKEE CCCCOc1cccc(C=Nn2c(CC)nnc2SCc2ccc([N+](=O)[O-])cc2)c1 2326821041 CWVJLRVAHJPGEO-UHFFFAOYSA-N 439.541 5.102 30 10 IKEE CCCc1ccc(OCc2nnc(SCC)n2N=Cc2c(F)cccc2Cl)cc1 2327357799 OOSFZUYAOIBUTR-UHFFFAOYSA-N 432.952 5.596 30 10 IKEE Cc1cccc(CSc2nnc(COc3cc(F)ccc3F)n2N=Cc2ccco2)c1 2327441236 WFWIAZXDLGZBDB-UHFFFAOYSA-N 440.475 5.211 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccco1 2328016530 PCIWYPKAEVVQKA-UHFFFAOYSA-N 436.968 5.793 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1cccc(Cl)c1 2328056522 ALJMNEUAIGIKLZ-UHFFFAOYSA-N 431.392 5.921 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccc(C)cc3)n2N=Cc2cccnc2)CC1 2328106858 BGFNRBRTYWRAEG-UHFFFAOYSA-N 447.652 6.620 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2ccc(F)cc2)cc1 2328567352 OZHWEFZRYJDVMO-UHFFFAOYSA-N 446.551 5.581 30 10 IKEE CCCSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1ccccc1OC(C)C 2328962642 IWBPFULMUXPQFB-UHFFFAOYSA-N 436.625 5.852 30 10 IKEE CCCCCOc1ccc(C=Nn2c(CCOc3ccccc3)nnc2SCC)cc1 2329189476 NGHUIQFTSWTMSW-UHFFFAOYSA-N 438.597 5.463 30 10 IKEE CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(OCc2ccccc2C)cc1 2329520387 IHNGUQFURBUBJF-UHFFFAOYSA-N 448.979 6.090 30 10 IKEE CC[C@H](C)N(C(=O)C=Cc1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2329631915 NLRIZMMAUGQNJW-ZDUSSCGKSA-N 433.367 6.708 30 10 IKEE Cc1ccc(CSc2nnc(Cc3cccs3)n2N=Cc2ccc(C(C)C)cc2)cc1 2330321680 RUXSPFGPQQHNRG-UHFFFAOYSA-N 446.645 6.537 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)[C@H](C)c1ccccc1 2330642948 VJVBJNBKWSAWTG-GOSISDBHSA-N 445.471 5.599 30 10 IKEE COc1cccc(C=Nn2c(SCCc3ccccc3)nnc2-c2ccccc2)c1OC 2330674969 VQWSUQDYXRWJHO-UHFFFAOYSA-N 444.560 5.179 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(CC(C)(C)C)n2N=Cc2sccc2C)o1 2330835193 FFPZBFHAQLFWPZ-UHFFFAOYSA-N 446.598 5.181 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)(C)C)n2N=Cc2ccc(Cl)cc2)c1 2330849501 YKEMQAJXINSXJL-UHFFFAOYSA-N 427.017 6.311 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccncc1 2330874427 OCZVEFKLRBBURS-UHFFFAOYSA-N 434.396 5.743 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)ccc1OC(=O)CCc1ccccc1C 2330950751 BOSSNTRAQJZJJO-UHFFFAOYSA-N 434.919 6.091 30 10 IKEE COc1ccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)cc3)cc2)cc1 2330952152 NAUJFWTUOSQYMC-UHFFFAOYSA-N 446.499 5.365 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)Cc1ccccc1 2331040544 CRSLGGWSNVLHDW-UHFFFAOYSA-N 431.444 5.038 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccccc3OC)cc2)cc1 2331051354 DEIAJMXKDZNTNI-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(OC)c(OC(=O)c2ccc(C)cc2)c(OC)c1 2331051981 KLSSBYCZSDEKEM-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE CN(C)c1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2Cl)cc1 2331142884 KGDFXZXVMFMVRQ-UHFFFAOYSA-N 440.326 6.175 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3cccnc3)c(OC)c2)cc1 2331187029 FYQYRSRUUGLDIF-UHFFFAOYSA-N 437.879 5.258 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)Cc1cccc2ccccc12 2331293086 PFVJOSVTJUUEPD-UHFFFAOYSA-N 436.507 6.201 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3C)cc2)cc1 2331295846 KVKHPJSAZQLZKV-UHFFFAOYSA-N 428.528 6.218 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccs3)c([N+](=O)[O-])c2)cc1 2331305520 NONMKIDBRLYDNK-UHFFFAOYSA-N 437.473 5.560 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(OC)c(OC(=O)Cc2ccccc2)c(OC)c1 2331352139 JYQZFGZTUYYYFI-UHFFFAOYSA-N 446.499 5.065 30 10 IKEE CCCOc1ccccc1C=Nn1c(CC(C)C)nnc1SCc1ccccc1F 2331454093 VHHXETRGNMMMAK-UHFFFAOYSA-N 426.561 5.579 30 10 IKEE C=C(C)CSc1nnc(COC)n1N=Cc1ccccc1OCc1ccccc1Cl 2331574960 FNLILDCRFYAKDP-UHFFFAOYSA-N 442.972 5.207 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2c(F)cccc2Cl)cc1 2331659473 JBEKLNQKEPZANE-UHFFFAOYSA-N 438.882 6.220 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)c1cc(C)cc(C)c1 2331704443 NIWDNTVYXCISEF-UHFFFAOYSA-N 448.946 6.698 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C(C)C)c1 2331708461 PXHFVEIEACHYSS-UHFFFAOYSA-N 435.380 5.897 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OC(=O)CC(C)(C)C)c([N+](=O)[O-])c1 2331747935 XYWTVZFYMRBXBT-UHFFFAOYSA-N 445.899 5.803 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)COCc3ccccc3)cc2)cc1C 2331835401 FCSWQOWPLQWHRT-UHFFFAOYSA-N 430.500 5.330 30 10 IKEE CC[C@](C)(CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)N(C)Cc1ccccc1 2339574120 CWNKNRKQKUDRNC-AREMUKBSSA-N 435.421 5.439 30 10 IKEE N#C[C@H](Nc1ccccc1Br)c1ccc(Cl)cc1I 2346192224 UZJZJVJXEMRFIY-AWEZNQCLSA-N 447.501 5.384 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@](Nc3ccc(C#N)c(Br)c3F)(C2)C1 2358093968 VHDPNWANLDTSAA-ZUOKHONESA-N 438.341 5.051 30 10 IKEE CC(C)c1ncccc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2367995999 SGWPGHAPPHMRLI-GOSISDBHSA-N 430.346 5.974 30 10 IKEE CN(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2c[nH]c3ccccc23)cc1 21237225 BFSJUFMRJCBSSW-ADXZGYQBSA-N 448.570 6.213 30 10 IKEE O=C(O)c1cccc(/N=C2/S/C(=C\c3ccccc3Cl)C(=O)N2C2CCCCC2)c1 39866841 VWDOLOFXXSFBPK-QJYUKRAPSA-N 440.952 5.975 30 10 IKEE C=CCOc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cccc(C)c2)cc1 39876413 VMOKDKJHSFYMTI-XMMPIXPASA-N 441.458 5.555 30 10 IKEE CC(C)(C)c1cc(/C(=N/N=C/c2ccc(F)cc2)Nc2ccccc2)cc(C(C)(C)C)c1O 39891581 ATHPMEQBDUTZHU-UXHLAJHPSA-N 445.582 7.019 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC)c2)[C@@H]1c1cccc2ccccc12 40101111 KIYITROSWYGVQG-DEOSSOPVSA-N 429.516 5.617 30 10 IKEE COc1ccccc1C(=O)Oc1cc(C)c2c(c1)O/C(=C\c1cn(C)c3ccccc13)C2=O 41285881 MCJGGRRWPXIAKN-CFRMEGHHSA-N 439.467 5.331 30 10 IKEE CCN(CC)c1ccc(/C=C2/S/C(=N\c3cccc(Cl)c3Cl)NC2=O)c(O)c1 59566654 JOHDZFIGPHQOJD-LICLKQGHSA-N 436.364 5.437 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)cc1 100309952 PBJLXJBRCNJAPU-UHFFFAOYSA-N 444.575 6.565 30 10 IKEE CCCCCCCCCCCn1c(C(c2ccccc2)c2ccccc2)nc2ccccc21 102161386 LJWBXKLBZLVUIP-UHFFFAOYSA-N 438.659 8.747 30 10 IKEE CCCCCCCCCn1c(CCCCCNC(=O)[C@@H]2CCCO2)nc2ccccc21 102179293 WPUPXFJFFMTSHG-DEOSSOPVSA-N 427.633 5.795 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)/C=C\c1ccc(OC)c(OC)c1 105847283 TZUVZBWSLCKEAD-VZCXRCSSSA-N 431.661 7.315 30 10 IKEE N#Cc1ccc(CSc2nnc(NC(=O)/C=C(\c3ccccc3)C(F)(F)F)s2)cc1 110648837 COCFICCRMPRMJM-MHWRWJLKSA-N 446.479 5.286 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(OCCCCCC)cc2)c(C)c2cc(C(C)C)ccc21 169870235 FXTXAEHHJGMVPO-UHFFFAOYSA-N 432.608 7.471 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2ccc(OC)cc2)cc1 169923409 PEQJYIOSMKUTJO-XMMPIXPASA-N 443.499 5.049 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2cccc(C)c2C)cc1 169924858 NAGQWWGXFCQCBR-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCN1C(=S)N[C@H](c2ccc(OCc3ccccc3)c(Cl)c2)C2=C1CCCC2=O 169932930 OPLCZWPUZSKZLO-JOCHJYFZSA-N 426.969 5.177 30 10 IKEE COc1ccc(-c2csc(N/N=C\c3ccc(OCc4ccccc4)c(OC)c3)n2)cc1 169940525 IDUPQDGONIJKSV-YSMPRRRNSA-N 445.544 5.852 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C(C)C)cc2)c1 169967626 JJIQZIZPTATUQN-XMMPIXPASA-N 429.491 6.040 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(OC(C)C)cc1 169978798 WVNHBBOSDXXOKM-XMMPIXPASA-N 435.564 5.859 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1cccs1)c1cccc(Cl)c1 169985394 CQGSUHUKXVJTBM-SFHVURJKSA-N 430.312 5.838 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2C)[C@@H]1c1cccs1 169986813 SKOBJMJQCVFLNH-HXUWFJFHSA-N 439.920 5.501 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@H]1c1ccc(C(C)C)cc1 170066253 OPOVNCIANUOAQE-RUZDIDTESA-N 435.564 5.132 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@H]2c2ccc(C)o2)cc1 170100979 DIDVWOSJUFGNJN-NRFANRHFSA-N 439.870 5.726 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2cccc(C)c2)c1 170141064 XWIRFDMNCLGXOS-DEOSSOPVSA-N 425.484 5.021 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C)c(Cl)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)c(C)c1 170176232 KVZRBNVZNKXKHC-UHFFFAOYSA-N 441.918 5.534 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2C2CCCC2)cc1 170214684 JUGZGNHPVBRPGE-HSZRJFAPSA-N 431.488 5.352 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 170226840 XXVCNUJSPXJEJW-HXUWFJFHSA-N 434.835 5.031 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1ccc(Cl)c(Cl)c1 170246707 SZSQNKHTSKLFPR-OAHLLOKOSA-N 425.337 5.055 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1F)c1ccc2c(c1)CCCO2 170251722 BKAQDDPZZXFOQI-HSZRJFAPSA-N 435.495 5.062 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)c(C)c2)[C@H]1c1ccccc1F 170253333 YKWTYHJTPSJRPM-HSZRJFAPSA-N 439.527 5.691 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1c[nH]c2ccccc12 170255256 KBZQAXHLJQOGSF-DEOSSOPVSA-N 428.532 5.425 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@H]1c1c[nH]c2ccccc12 170256262 ONSJKJUAIBHHNY-JOCHJYFZSA-N 436.483 5.084 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1c1ccc(F)cc1 170271127 KSQXQNKBJZKCBE-VWLOTQADSA-N 441.502 5.796 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2C)ccc1OC(C)C 170274194 JBPZPGKXRUKXDP-XMMPIXPASA-N 445.515 5.462 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccco2)cc1C 170285090 FEGCMJSFYSHZAA-DEOSSOPVSA-N 445.515 5.777 30 10 IKEE Cc1cccc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccc(C(=O)O)cc3)C2=O)c1 254483573 GFJYKBLHWAIHHV-JXJWTFEASA-N 428.513 5.497 30 10 IKEE CC(=O)Nc1sc(=NN=Cc2ccccc2)n(-c2ccc(C)cc2)c1-c1ccccc1 254756667 ZHJCNYGEUIMWPH-UHFFFAOYSA-N 426.545 5.407 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(C)o2)c1 526487887 GZLBDNOZISHCHH-DEOSSOPVSA-N 428.488 5.696 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Br)c2)c1 526706904 BTDULDWLYPPUGX-NRFANRHFSA-N 448.316 5.540 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(CCCC#N)c2ccc(C(=O)OC)cc2)cc1 586232331 CUOVKCLTYXVNNW-UHFFFAOYSA-N 442.581 5.095 30 10 IKEE CCCCCCCCC[C@H](N)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 693709569 VEBUAZSKQQPHTC-JYFHCDHNSA-N 431.665 5.624 30 10 IKEE C=CCC1(C(=O)Cc2cccc(Cl)c2Br)CN(C(=O)OC(C)(C)C)C1 722946735 GCLPRAVUWIBQNP-UHFFFAOYSA-N 428.754 5.027 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 724073997 WYUOSKQMAUMWQF-WAIKUNEKSA-N 449.979 5.669 30 10 IKEE CC(=O)c1c(C)nc(SCC(=O)Nc2ccc(C)cc2)c(C#N)c1/C=C\c1ccccc1 951723436 GQVQMNHWPBZTGE-KAMYIIQDSA-N 441.556 5.674 30 10 IKEE CCOc1cccc(NC(=O)[C@H]2CC(=O)N(CC)C(=Nc3ccc(C)c(Cl)c3)S2)c1 1083929506 TVSZUVDMWGNMQN-LJQANCHMSA-N 445.972 5.027 30 10 IKEE CC(=C/c1ccccc1)/C=C1\SC(=Nc2cccnc2Cl)N(C2CCCCC2)C1=O 1772734592 QBLZUOUUZBQXBP-OXGLPNRZSA-N 437.996 6.618 30 10 IKEE COc1ccc(/C=C2\SC(=Nc3nc(-c4ccccc4)cs3)N(C)C2=O)c(OC)c1 1772738044 NEKHHGIUODGCTO-KXSRYFARSA-N 437.546 5.061 30 10 IKEE CCN(C(=O)c1oc2c(c1C)C(=NNc1ccc([N+](=O)[O-])cc1)CCC2)c1ccccc1 1772748665 WBCUYMMLUROVPS-UHFFFAOYSA-N 432.480 5.315 30 10 IKEE CCCCCCOc1ccc(C=NNc2nnc3c4ccccc4n(CC)c3n2)cc1OC 1772765026 PBROQBRWXCUXJG-UHFFFAOYSA-N 446.555 5.413 30 10 IKEE Cc1cccc(-n2cc(/C=N\NC(=S)Nc3cccc(F)c3)c(-c3ccccc3)n2)c1 1857808842 HZZBCYCPNSOPTA-YSMPRRRNSA-N 429.524 5.307 30 10 IKEE Fc1ccc(-n2cc(/C=N\NC(=S)Nc3ccccc3)c(-c3cccc(Cl)c3)n2)cc1 1857809532 XPRNCWAAIROCCT-WGARJPEWSA-N 449.942 5.652 30 10 IKEE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ncccc1OCc1ccccc1C#N 1858739703 ZUEBBISFJPJZIR-CQSZACIVSA-N 442.302 5.245 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccc2O[C@H](C)C(=O)O[C@H](C)CC)c1 1858739730 AUAPXFPNWOUYDY-QZTJIDSGSA-N 439.556 5.281 30 10 IKEE COc1ccc(-c2cc(C(=O)Nc3ccccc3C#N)nn2Cc2ccc(Cl)cc2)cc1 1859399172 HLMABHHCLLMCID-UHFFFAOYSA-N 442.906 5.384 30 10 IKEE Cc1ccc(CCCC(=O)Nc2ccc(Cl)c(NC(=O)c3cccc(C#N)c3)c2)cc1 1860459097 MASLPISYNAYUEC-UHFFFAOYSA-N 431.923 5.734 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)Cc1ccc(OCCC)c(C)c1 1860981741 WFSSTPLKQZNCDI-HSZRJFAPSA-N 432.649 5.478 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)c1ccc2nc(C)[nH]c2c1)c1ccccc1 1861449582 LAPOMUJQZAQUJA-RUZDIDTESA-N 448.611 5.599 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(C)cc2)cc1C 1862401071 SRXUZCOHWDAHPB-XMMPIXPASA-N 427.500 5.091 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc(Cl)c2)cc1C 1862403182 PORRGWHTIPZVNG-JOCHJYFZSA-N 439.939 5.568 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(N(C)C)cc1 1862478115 ZIGCXNGNBSKUSY-RCZVLFRGSA-N 448.607 5.998 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2cccs2)cc1 1862501831 LMMZSZLUUGTPCV-QFIPXVFZSA-N 435.520 5.537 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc(F)cc2F)ccc1F 1862503491 YMQRARYXDZQGCC-YIKPVDIZSA-N 443.465 5.569 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2c(F)cccc2Cl)cc1 1862518731 RMJWWRBNZLZSPH-OAQYLSRUSA-N 445.918 5.502 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2ccccc2C)cc1 1862534656 WMAVAMJWPPIMHN-RUZDIDTESA-N 425.528 5.644 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 1862538526 JAWGMWACDRBPEP-FQEVSTJZSA-N 448.346 5.171 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862595760 PQJHBJZPEPLUTL-RUZDIDTESA-N 445.559 5.984 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccc1[N+](=O)[O-] 1862654702 QCLRXZBCKCAVLX-OYHNWAKOSA-N 430.460 5.125 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)cc1 1862664115 WETYMIUZEJYEDQ-GJQIQAERSA-N 445.603 6.529 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2c(Cl)cccc2Cl)cc1 1862668084 QEVBNCQHYJEEQM-FQEVSTJZSA-N 432.347 6.104 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(N(C)C)cc1 1862679370 ZDCLKDHWQMHIMG-VZPUWSDOSA-N 436.527 5.049 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccc2ccccc12 1862728187 VUWNTGWJUAGIHC-MHZLTWQESA-N 447.534 6.494 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862738350 ZJBOUJVJFAATDG-NRFANRHFSA-N 436.508 5.127 30 10 IKEE CC(C)(C)c1ccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862776588 WEXXGRXXCHGNOR-UHFFFAOYSA-N 439.490 5.391 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3cccc(Cl)c3C)C2=O)c1 1863020073 PSZXIBCRXORJIM-UHFFFAOYSA-N 441.918 5.534 30 10 IKEE CC(C)Oc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N([C@H]3CCCC[C@H]3C)C2=O)cc1 1863363385 YASZSNRWFLZWET-JPYJTQIMSA-N 443.547 5.116 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2C(C)(C)C)=C(c2cc(Cl)ccc2Cl)C1=O 1863391714 WPRRCDKXUFITQJ-UHFFFAOYSA-N 429.347 5.669 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCN(CC)CC)=C(c2ccc(C)cc2)C1=O 1863620500 WIZXTEWIKBWRHC-UHFFFAOYSA-N 441.660 5.147 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccncc2)=C(c2ccc(OC)cc2)C1=O 1863672590 XXVRIPBMYVMBLI-UHFFFAOYSA-N 449.595 5.101 30 10 IKEE CCCC[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N[C@H](C#N)c1ccc(C)cc1 1867351846 ACOGNYVCCVVIKA-CLJLJLNGSA-N 439.559 5.332 30 10 IKEE CCCn1cc(OCc2ccccc2C)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870169827 JMPVWXUBLHHTCS-UHFFFAOYSA-N 447.604 5.630 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCC2CCCCC2)cn1CCCOCCCC 1870482800 PKKQXIUJNLGSBF-UHFFFAOYSA-N 430.633 5.188 30 10 IKEE C=CCOc1cn(CCCCc2ccccc2)c(CNc2ccc3cc[nH]c3c2)cc1=O 1870809866 ZNAVXYHTFYLFAQ-UHFFFAOYSA-N 427.548 5.529 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2C)c(CNc2ccc(OC)cc2)cc1=O 1870836839 XQBYTKFLYSYORN-UHFFFAOYSA-N 448.607 6.175 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)c1 1871388599 FJBPAZAMFDGVKY-QRVIBDJDSA-N 432.859 5.740 30 10 IKEE CC(C)CCOC(=O)CCOc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 1871428977 CMGOUCZBOWFPDH-MTJSOVHGSA-N 449.330 5.968 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccccc1)[C@@H](C)CC)S(=O)(=O)c1c(C)cc(C)cc1C 1872149273 BMOFPWDULIBEGE-CVDCTZTESA-N 442.625 5.232 30 10 IKEE N#C[C@@H](C(=O)c1c(Cl)ccc(Cl)c1Cl)c1nc(-c2ccc(Cl)cc2)cs1 1872766945 QOGJJNGLSHGIPZ-NSHDSACASA-N 442.154 6.914 30 10 IKEE Cc1cc(-c2csc([C@@H](C#N)C(=O)c3c(Cl)ccc(Cl)c3Cl)n2)ccc1F 1872772762 SDUGAFMZSKNVOD-NSHDSACASA-N 439.726 6.708 30 10 IKEE CC(C)c1ccccc1O[C@H](C)C(=O)[C@H](C#N)c1nc(-c2cccc3ccccc23)cs1 1872775228 MAQIQTJLVCBWTH-JPYJTQIMSA-N 440.568 6.730 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccc(C(C)C)cc3)n2)cc1F 1872775302 NCNMMUWEJRHENM-KXBFYZLASA-N 438.524 5.725 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccc(Cl)cc3)n2)c(C)c1C 1872778896 WYVAFVOQNWHLMR-KXBFYZLASA-N 440.952 5.733 30 10 IKEE C=CCc1ccccc1OCc1cccc(C(=O)Nc2ccc(Br)cc2C)c1 1872834408 VTSJITUOKORUKT-UHFFFAOYSA-N 436.349 6.317 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCC2=CCCCC2)=C(c2cccnc2)C1=O 1873079915 GECZLJWLOMTCJE-UHFFFAOYSA-N 437.628 5.782 30 10 IKEE CCCCCCCCNC1=C(c2cc(F)cc(F)c2)C(=O)N([C@@H]2CCCC[C@@H]2C)C1=O 1873113721 ZSEIOPVVYMZSMP-LAUBAEHRSA-N 432.555 5.574 30 10 IKEE CCCCCCCCNC1=C(c2ccc(OCCC)cc2)C(=O)N(C2CCCCC2)C1=O 1873144846 QEZVRFDCORQTPJ-UHFFFAOYSA-N 440.628 5.838 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(OCCC)cc2)=C(c2c(Cl)cccc2Cl)C1=O 1873289441 NBCDUGHYUACVPQ-UHFFFAOYSA-N 431.319 5.160 30 10 IKEE C=CCn1c(C(=O)Nc2ccccc2C(C)C)cc2c(NCCCOCCCC)ncnc21 1873608173 NIYDNIQRCBKZFF-UHFFFAOYSA-N 449.599 5.612 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(N3CCC(C)CC3)cc1)n2CC(C)C 1873613039 UMBFADQBDHOIBN-UHFFFAOYSA-N 446.599 5.174 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(F)cc1)n2CCC 1873619966 PUIPMCDXZUYRMN-UHFFFAOYSA-N 425.552 6.005 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(Cl)c2)cc2c(NCc3ccc(OC)cc3)ncnc21 1873636556 PVAIIZZEUNYNPE-UHFFFAOYSA-N 447.926 5.144 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccc(CCCC)cc3)c(=O)oc2c1C 1873912484 IGIXMHLBBOBSSE-UHFFFAOYSA-N 433.548 5.889 30 10 IKEE CCCSc1nnc(COc2ccc(OCC)cc2)n1/N=C/c1c(F)cccc1Cl 1874236543 ODTMTPLKAPEDJU-ZMOGYAJESA-N 448.951 5.433 30 10 IKEE C=CCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1ccccc1Cl 1874247472 GGQPOCJHHUZGJF-LFVJCYFKSA-N 426.973 5.412 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(CCCOc2ccccc2C)nnc1SC 1874248438 UHKATTJQCAHMCP-YZSQISJMSA-N 446.576 5.364 30 10 IKEE C=CCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccc(C(C)C)cc1 1874255906 KMULSXBYWJZBNA-CVKSISIWSA-N 434.609 6.066 30 10 IKEE CCCSc1nnc(COc2ccccc2Cl)n1/N=C/c1cccc2ccccc12 1874269115 LRTSTWHJDLQTKA-MFKUBSTISA-N 436.968 6.048 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2/N=C/c2ccc(O)c(OC)c2)CC1 1874287560 LKTFFXLEXWPYFX-LFVJCYFKSA-N 430.618 5.841 30 10 IKEE CCSc1nnc(CCc2cccc(OC)c2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874309319 QAJHNQVKTLVIQY-YDZHTSKRSA-N 435.380 5.373 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1ccccc1OCCC 1874330619 VMDSPKLWMVOCKJ-WPWMEQJKSA-N 448.636 6.019 30 10 IKEE CCCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1cccc(OC)c1OCC 1874343444 QZQIPQPUAPEOPP-BUVRLJJBSA-N 444.988 5.314 30 10 IKEE C(=N/n1c(COCc2ccccc2)nnc1SCCc1ccccc1)\c1cccs1 1874355143 CTVTZMIXEFXRGN-LFVJCYFKSA-N 434.590 5.273 30 10 IKEE Clc1ccc(CSc2nnc(CCc3cccs3)n2/N=C/c2ccccc2)cc1 1874374101 HISZBAOJPAXYTQ-BUVRLJJBSA-N 439.009 5.953 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccc(F)cc3)n2/N=C/c2ccccc2F)c1 1874379577 ABLKOMWJAMIQOK-RWPZCVJISA-N 448.542 5.938 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2[C@H](C)c2ccccc2)c1 1874394794 VYDHMVCKPUVTED-AXNZHVIBSA-N 446.551 5.752 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2[C@@H](C)c2ccccc2)cc1 1874395059 CIOZHEKKFLFOBN-YGYFLSRZSA-N 440.616 6.530 30 10 IKEE Oc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCc2ccc(Cl)cc2)cc1 1874414071 AHZWPEHOJBPESC-YDZHTSKRSA-N 440.981 5.464 30 10 IKEE Cc1ccccc1CSc1nnc(-c2cccs2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874420920 LHVREQHYRLXQJY-WGOQTCKBSA-N 446.645 6.787 30 10 IKEE Cn1cccc1/C=N/n1c(SCc2c(Cl)cccc2Cl)nnc1-c1cccs1 1874424185 YVBSWEVZQNJAAG-SSDVNMTOSA-N 448.404 5.826 30 10 IKEE CCSc1nnc(-c2ccccc2)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874427507 NNWFQBDCKYHZCZ-KOEQRZSOSA-N 428.517 5.159 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874439005 FLLCPSFVKOJCLN-JVWAILMASA-N 438.616 6.478 30 10 IKEE COc1cc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C(C)(C)C)cc(Cl)c1O 1874483234 LDMUJSMCNBEIFT-BHGWPJFGSA-N 448.951 5.257 30 10 IKEE Cc1cccc(CSc2nnc(C(C)(C)C)n2/N=C/c2ccc(Br)cc2)c1 1874483647 GPDNTLXFKXHQKO-YDZHTSKRSA-N 443.414 5.821 30 10 IKEE CCCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1/N=C/c1ccc(C(C)C)cc1 1874505454 YJPWGVPISYRWPZ-CVKSISIWSA-N 449.624 5.584 30 10 IKEE CCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1/N=C/c1c(Cl)cccc1Cl 1874524423 NBJGWBFDXRABIZ-FOKLQQMPSA-N 448.379 5.069 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2cc(C)cc(C)c2)cc1 1874572486 PJRYDOCGLFHPJM-PKNBQFBNSA-N 447.962 6.433 30 10 IKEE Cc1cccc(COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1 1874579424 MTRSPVLEPIMOGV-RMKNXTFCSA-N 431.746 7.430 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OCC(=O)N[C@H](C)c1ccccc1 1874595576 SNUNKCKPFJJKPI-ODHXBGJQSA-N 449.934 5.501 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)c(OCC(=O)N(CC)CC)c(OC)c2)cc1 1874604271 CYSQZHOSBAEKDJ-JLHYYAGUSA-N 429.944 5.054 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Br)c2)cc(Br)c1OC 1874609862 ODVBRKWRLRQAIP-BQYQJAHWSA-N 440.131 5.515 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OCC(=O)Nc1ccc(C)cc1 1874617648 NENLMZYUJRZWME-MDWZMJQESA-N 429.516 5.534 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2OCC)o1 1874625782 VTTUKOQIEKDFDT-LFYBBSHMSA-N 438.451 5.469 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1C(C)C 1874627361 LLAIMZUTUVLBFM-NTEUORMPSA-N 445.515 6.510 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)c2ccccc12 1874638896 XUTZEGKLTNDXTF-SDNWHVSQSA-N 439.467 6.232 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)c2)cc1C 1874714235 LGKZHNGAYZWZNV-DGTKBQTJSA-N 430.931 6.562 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(Cl)c1OC(=O)c1cncc(C)c1 1875101157 POLQWPJXGCXCSH-DHZHZOJOSA-N 449.934 6.120 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)C3CCCC3)c(OC)c2)cc1C 1875107364 MPRHXZROJZCDKN-CSKARUKUSA-N 428.912 5.657 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccc(F)cc1F 1875120196 HLHGJEOUWAXWCC-XCVCLJGOSA-N 443.789 5.642 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)COc1c(C)cccc1C 1875136542 DOZDOAGBDIAYEG-RVDMUPIBSA-N 444.527 5.891 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(C)c(C)c3)cc2)c1 1875145803 TYPVDLWFIUQJIP-MDWZMJQESA-N 446.499 5.201 30 10 IKEE CC(C)CC(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1Br 1875146106 FIFRNUCEDYUQBP-ZZXKWVIFSA-N 445.309 5.068 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2Cl)cc1 1875155700 PPVXYUXELKNDLD-MKMNVTDBSA-N 448.946 6.516 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2)cc1 1875155835 CESAKFJDTNOYAY-YBFXNURJSA-N 426.556 6.807 30 10 IKEE O=C(CSc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1Cl 1875158074 DJAJRRLGIRUTNR-WUXMJOGZSA-N 426.896 6.073 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 1875159787 KZDUGWOKXQXWJM-OQLLNIDSSA-N 427.472 6.286 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)[C@H](C)c2ccccc2)cc1 1875161135 AHRXUQIXOFUMRC-XMJIKXADSA-N 442.555 6.598 30 10 IKEE CCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1Br 1875170482 AFEZTXFYUQIBKQ-VQHVLOKHSA-N 431.326 5.676 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)Cc1ccc(Cl)cc1 1875176373 FKDRNTIZSJDSET-MDWZMJQESA-N 448.946 6.400 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)Cc1ccc(F)cc1 1875184889 WBQHMAHGHSCQMY-YRNVUSSQSA-N 432.491 5.804 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2ccc(OC(=O)c3cncc(C)c3)cc2)cc1Cl 1875185946 WXEIHDQKRCXVQK-VMPITWQZSA-N 442.298 5.821 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc(OC)c1OC(=O)c1ccco1 1875189946 MUPBGOGGTLHDAC-ZHACJKMWSA-N 446.499 5.757 30 10 IKEE C=C(COCc1ccccc1)[C@H](O)c1cc(Cl)c(NC(=O)OC(C)(C)C)c(Cl)c1 1922071367 JYKJSCKJGXUBGB-FQEVSTJZSA-N 438.351 6.147 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@@H](CNC(=O)OC(C)(C)C)C1CCCC1)NCC 1922078927 AXNKUPUGRSLMDP-ZEQRLZLVSA-N 430.633 5.459 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)OC(C)(C)C 1922086363 PPGOIBHWWVQDMH-KIHHCIJBSA-N 428.617 5.163 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1C[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1(C)C 1953337663 YBFMOADHUPFGIU-UQBPGWFLSA-N 443.588 5.257 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1[C@@H]2CCC[C@H]2[C@H]1NC(=O)OC(C)(C)C 2005466104 MVTBCFNEFAHMBV-URYYLNOGSA-N 428.617 5.067 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C2(CC2)C1 2013257380 WHEBDEFEUPDRNV-QHCPKHFHSA-N 447.601 5.169 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@H](C#N)[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2017957703 ZFDXPGQAYDBAIF-MJGOQNOKSA-N 435.609 5.484 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(Cl)cccc1Br 2028852873 UDVZRRVGRNUGEQ-DOTOQJQBSA-N 429.786 5.060 30 10 IKEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)C1 2034818616 PGRIHTATHQPXDH-IARZGTGTSA-N 431.668 6.365 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)CC12CC2 2037539059 CNKDEGDJMMLICR-DEOSSOPVSA-N 445.535 5.393 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1(C)C 2053054734 VPGWIBQLVYQRLM-GYCJOSAFSA-N 447.551 5.400 30 10 IKEE CC#CCC[C@H](NC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071359370 VRZFWYCPUJSYOJ-LSYYVWMOSA-N 429.560 5.270 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@]1(C)CCCN1C(=O)OC(C)(C)C 2076987153 SNQBQPDKIIKCRI-CYFREDJKSA-N 445.560 5.118 30 10 IKEE Cc1ccc([C@H](n2nc(C(F)F)c(C#N)c2I)C2(C)CC2)c(F)c1 2079138654 YAYIEUDZBSGGFK-AWEZNQCLSA-N 445.226 5.134 30 10 IKEE CC(C)(C)c1nn([C@H](c2ccc(C(F)(F)F)cc2)C2(C)CC2)c(Br)c1C#N 2079895654 WVQAPUNVQUUIDN-MRXNPFEDSA-N 440.307 6.223 30 10 IKEE COc1ccc([C@H](n2nc(C(C)(C)C)c(C=NO)c2Br)C2(C)CC2)c(C)c1 2079928117 BDLSXICBLRIQRD-SFHVURJKSA-N 434.378 5.458 30 10 IKEE CC1([C@H](c2ccc(C(F)(F)F)c(F)c2)n2nc(C3CC3)c(C#N)c2Br)CC1 2079984634 KRYYLXSKKLJGCR-INIZCTEOSA-N 442.254 5.942 30 10 IKEE CC(C)(C)[C@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)(F)F)c(C(=O)O)c1Cl 2080048826 YDSFVHDQRLADSU-LBPRGKRZSA-N 446.750 6.047 30 10 IKEE Cc1ccc(Br)c(Cn2nc(C3CCCCC3)c(C#N)c2Br)c1 2080308827 YSTPXALBLMOOFI-UHFFFAOYSA-N 437.179 5.684 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H](c2c(C3CCCC3)nn3c(Cl)c(C#N)cnc23)C1 2081258958 IMBWPOYFZUWYGO-HNNXBMFYSA-N 429.952 5.026 30 10 IKEE COc1c2c(nc3c(-c4cccc(C(F)(F)F)c4F)c(C(F)(F)F)nn13)CCCCC2 2081467249 CTAZFAHPCDPTON-UHFFFAOYSA-N 447.354 5.851 30 10 IKEE CCCN[C@@H](CC#CCOC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134732977 BEZVJDLIYFDCRF-MHZLTWQESA-N 443.587 5.925 30 10 IKEE CCCCCCCN(C)C(=O)c1ccc(Br)cc1I 2142279029 LABMDVNDHITZFX-UHFFFAOYSA-N 438.147 5.096 30 10 IKEE CC1(C)CCC([C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)CC1 2158489684 LWKHVMPHLVDSET-JOCHJYFZSA-N 435.406 6.689 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H](Nc1ccc(C#N)c(Br)c1F)c1ccccc1 2179675225 YDSCTPKICQIERP-MRXNPFEDSA-N 434.309 5.138 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)Nc2ccc(C(F)(F)F)cc2Br)C1 2197756168 VMSPSTYIUNMIES-UHFFFAOYSA-N 449.267 5.020 30 10 IKEE C=CCCCCCCC[C@H](O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2220098610 XHNJMMUFLSQQRD-RPLLCQBOSA-N 445.644 6.108 30 10 IKEE C=C(C)CCCC[C@@H](NC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2250127864 BBVKMSSJVBUVMV-HSZRJFAPSA-N 429.649 5.270 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CCC[C@H]1CCN(C(=O)OC(C)(C)C)C1)NCCC 2253201857 JNKHCGQEXZAVFT-LADGPHEKSA-N 430.633 5.555 30 10 IKEE C=CCCC1([C@@H](O)Cc2ccc(Cl)c(Br)c2)CN(C(=O)OC(C)(C)C)C1 2266200867 FYLJVQZHGRJUOB-KRWDZBQOSA-N 444.797 5.209 30 10 IKEE C=CCCCCC[C@H](OCC(=O)O)c1cc(Br)c(Br)s1 2291697555 HEZTUTNXUQAMNE-NSHDSACASA-N 426.170 5.552 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)c1sc(Cl)cc1Br 2296224491 KUDQJTXRMTZZCM-CYBMUJFWSA-N 433.596 5.629 30 10 IKEE Cc1ccc(Cl)cc1N=C1NC(=O)C(=Cc2cc(C)n(-c3ccc(F)cc3)c2C)S1 2313560517 WHHYTHNRRUMFSZ-UHFFFAOYSA-N 439.943 6.087 30 10 IKEE O=C(C=Cc1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(-c2ccccc2Cl)o1 2314482444 LHJCHHSBLPZYMO-UHFFFAOYSA-N 443.713 8.063 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(ccc(OCc4cccc(Cl)c4)c3C)C2=O)cc1 2321766576 CPTMLVVHWLAZPA-UHFFFAOYSA-N 447.962 6.690 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccco1)C3=O)CN(CCc1cn(C)c3ccccc13)CO2 2322286053 AUMDECTWMOGZNT-UHFFFAOYSA-N 440.499 5.091 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccccc1Cl)C3=O)CN(CCc1cccs1)CO2 2322416682 QEFJTTBBMYGRHF-UHFFFAOYSA-N 437.948 5.721 30 10 IKEE Cc1ccc(C(=O)C=Cc2c(OCC(=O)Nc3cccc(C)c3)ccc3ccccc23)cc1 2322591428 BCXSSONHWZJEAD-UHFFFAOYSA-N 435.523 6.370 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cc(Br)ccc2OCc2ccccc2C)c1 2322615617 GPEYDLVKWVEWDR-UHFFFAOYSA-N 435.361 6.849 30 10 IKEE Cc1cc(OC(=O)c2cc3ccccc3o2)cc2c1C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)O2 2322842714 DUWCZCKEXZWERM-UHFFFAOYSA-N 441.395 5.485 30 10 IKEE Cc1c(OC(=O)c2cccc(Br)c2)ccc2c1OC(=Cc1ccco1)C2=O 2322930321 ARYHILKLBNLESY-UHFFFAOYSA-N 425.234 5.186 30 10 IKEE C=CCOc1c(OC)ccc(C=CC(=O)c2ccc(OCCC)cc2)c1Br 2323154187 DXBIBEQGRWYAJO-UHFFFAOYSA-N 431.326 5.707 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2c(F)cccc2Cl)C3=O)cc1C 2323248235 RHWBHKGVIPUZIG-UHFFFAOYSA-N 436.866 6.240 30 10 IKEE CCCOc1ccccc1C=CC(=O)Oc1ccc2c(c1)OC(=Cc1sccc1C)C2=O 2323341452 ZZCQLGGHWYSXMN-UHFFFAOYSA-N 446.524 6.080 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(F)c2)C3=O)CC1 2323652732 UJXQAQCTZIQDAU-UHFFFAOYSA-N 436.523 6.652 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(OC)c1OCc1cc(C)ccc1C 2323969075 REDLCFZUROGWNS-UHFFFAOYSA-N 434.507 6.243 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccc(OCc2ccccc2)c(Cl)c1 2324325090 GOMAEAQIDOSYJC-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE CCCC[C@@H](Oc1cc(C)c2c(c1)OC(=Cc1c(Cl)cccc1Cl)C2=O)C(=O)O 2324784571 VBWLAWZAYJRUDL-QGZVFWFLSA-N 435.303 5.940 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccccc3Cl)n2)cc1Cl 2324807421 ZUQZNWWQCGGVOM-HNNXBMFYSA-N 429.328 6.015 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)C=Cc3cccc([N+](=O)[O-])c3)n2)cc1C 2324825620 TWCNCHTXGNUQRX-IBGZPJMESA-N 433.489 5.233 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2Cl)Oc2cc(OCc3cccc4ccccc34)ccc21 2325272344 YPUKUGCLBOBZST-UHFFFAOYSA-N 447.317 7.342 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1cccc(OC)c1 2325535437 VJFFUDZUIFVXMS-UHFFFAOYSA-N 449.407 6.111 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)CCCC4)c2)cc1 2325701736 YVTFKAXEMHXZPV-UHFFFAOYSA-N 426.512 5.618 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(C)c(C)c3)c2)cc1C 2325713569 QYICPCCSTZGPFC-UHFFFAOYSA-N 430.500 5.744 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 2325718424 XXWSFXUYQVJPFP-UHFFFAOYSA-N 444.527 6.117 30 10 IKEE COc1cccc(OCC(=O)Oc2cccc(C=CC(=O)c3cccc4ccccc34)c2)c1 2325750175 PBPGQRSWJYYCKG-UHFFFAOYSA-N 438.479 5.729 30 10 IKEE CCCC(=O)Oc1cc(C=CC(=O)c2ccc(C(C)C)cc2)c(Br)cc1OC 2325750591 VLSPDFHFHIBASX-UHFFFAOYSA-N 445.353 6.183 30 10 IKEE CSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1c[nH]c2ccccc12 2325901328 UUULUTBIGTWJQR-UHFFFAOYSA-N 433.581 5.548 30 10 IKEE Cc1cc(C)cc(CSc2nncn2N=Cc2cc(Cl)c(OC(C)C)c(Cl)c2)c1 2326393989 QGIVKPHTXUTDSO-UHFFFAOYSA-N 449.407 6.163 30 10 IKEE CCOc1cc(C=Nn2c(C)nnc2SCc2cc(C)ccc2C)cc(Cl)c1OC 2326589440 TZEUZCYAGLHGGL-UHFFFAOYSA-N 444.988 5.439 30 10 IKEE CCCOc1ccccc1C=Nn1c(CCc2ccc(OC)cc2)nnc1SCCC 2328582164 SFCGLOGDMPKWQP-UHFFFAOYSA-N 438.597 5.245 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3Cl)n2N=Cc2ccco2)cc1 2329279208 PKDBVVSGPIJERY-UHFFFAOYSA-N 438.940 5.298 30 10 IKEE CCCSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(OCC)c(OC)c1 2329599780 XFCMXIFPWNIXGC-UHFFFAOYSA-N 430.961 5.390 30 10 IKEE CCCCCOc1ccc(C=Nn2c(COc3ccccc3)nnc2SCCC)cc1 2329920595 CEGDHZKNSDRFAN-UHFFFAOYSA-N 438.597 5.810 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)cc3)n2N=Cc2cccc(Cl)c2)cc1 2329936278 QHULYSPZPSABPQ-UHFFFAOYSA-N 447.007 6.314 30 10 IKEE CCCSc1nnc(Cc2ccc(C)cc2)n1N=Cc1cccc(Br)c1 2330016001 TXMRATMERDWWNO-UHFFFAOYSA-N 429.387 5.324 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCc3ccccc3)nnc2[C@H](C)c2ccccc2)c1 2330108755 QTIHAKRZQSJGIR-LJQANCHMSA-N 428.561 5.618 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1cccs1 2330560143 NVFKXCQQQBVFOH-UHFFFAOYSA-N 435.534 5.398 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(Cl)c1OC(=O)CC(C)(C)C 2330678304 FYWFGRGSISOVHU-UHFFFAOYSA-N 440.967 6.465 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)ccc1OC(=O)Cc1cc(C)ccc1C 2330763047 JBGIRIRWLKZKAC-UHFFFAOYSA-N 442.555 6.309 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Br)c(OC(=O)C(C)(C)C)c(OC)c2)cc1 2330977102 PYSLVQBESPGHOB-UHFFFAOYSA-N 447.325 5.314 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3cccc(Cl)c3)cc2Cl)c1 2331123195 PNVABXGIZFKWHO-UHFFFAOYSA-N 441.310 6.507 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2[N+](=O)[O-])c1 2331170469 XXFKDVLJQVYNGY-UHFFFAOYSA-N 445.471 5.564 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)CSc3ccccc3)cc2)c1 2331382228 MQYBJQMSOLZACF-UHFFFAOYSA-N 434.513 5.298 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(C)(C)C)n2N=Cc2ccc3c(c2)OCCO3)c1 2331396858 IRTZKYXIHYVYCJ-UHFFFAOYSA-N 436.581 5.138 30 10 IKEE CCOc1cc(C=Nn2c(SC)nnc2C2CCC2)ccc1OCc1ccc(C)cc1 2331479008 NZTNVHACDWUKFT-UHFFFAOYSA-N 436.581 5.436 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)Cc1ccccc1 2331709884 BRYPVQDBAJPZET-UHFFFAOYSA-N 440.539 6.085 30 10 IKEE CCOC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CC[C@](C#N)(c1ccccc1)C2 751977 CBZXKVRFVKYQGY-SANMLTNESA-N 444.556 5.056 30 10 IKEE C#CCOc1c(Cl)cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl 2165135 GDWZBCGLGZEQML-MHWRWJLKSA-N 438.719 5.900 30 10 IKEE COc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 9601020 RKVRSJGSJWAWLW-RCRUUEGKSA-N 431.535 6.916 30 10 IKEE O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccc(Cl)cc1)n1nc(C(F)(F)F)nc1N2 19642185 SYPRGDQBLJQHEV-KUHUBIRLSA-N 444.844 5.366 30 10 IKEE COc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(N(C)C)cc1 20886390 ZBFQKBQRSMLCJU-WHLCRQNOSA-N 439.559 5.741 30 10 IKEE COc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OC(C)C)cc2)C3)cc1Cl 21250187 URJXNFSEYIBCJL-IEBWSBKVSA-N 439.939 5.140 30 10 IKEE CCCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)cc1 21252771 YJKJEEQZRXPUQH-MMTVBGGISA-N 442.534 6.594 30 10 IKEE C/C(=N/OCc1ccccc1C)c1cc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)c1C 35843428 SOFNZQMCDJROMW-FSGOGVSDSA-N 430.498 6.980 30 10 IKEE C=CCC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC1CC1 36306876 LEMXVRCCTOECDJ-QFIPXVFZSA-N 449.570 5.558 30 10 IKEE Cc1c(C(=O)Cc2cccc3ccccc23)c(O)n(Cc2ccccc2Cl)c(=O)c1C#N 38626137 BTGYPCFTMVZXJK-UHFFFAOYSA-N 442.902 5.014 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)CNc1ccc(C(=O)OC)cc1 100065936 PIKLEKUTJRKCQO-UHFFFAOYSA-N 432.649 6.483 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 100326729 LRNLPYJTMKBGSD-FBLLAGFSSA-N 440.425 7.625 30 10 IKEE CCOc1ccc([C@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2c2cccc(Cl)c2)cc1 102575423 YJEAIVDFNQKTTI-VFJWVMJUSA-N 433.891 5.365 30 10 IKEE CC(C)(C#N)CCOc1c(Br)cc(Br)cc1Br 114946129 LJQBXNQZMFGRON-UHFFFAOYSA-N 425.946 5.293 30 10 IKEE C=C(C)[C@H]1CC[C@@]2(CO)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@H]12 136735876 FVWJYYTZTCVBKE-IGSDHURMSA-N 442.728 6.997 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC)c3)[C@@H]2c2ccccc2)cc1 170052568 CFVZNFPRWHTLQY-DEOSSOPVSA-N 443.499 5.267 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2Cc2ccccn2)cc1 170067619 VJENTLHWLLZCRA-SANMLTNESA-N 440.543 5.303 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2c[nH]c3ccccc23)cc1 170075040 NQUDLXRMKYGZCZ-RUZDIDTESA-N 447.494 5.741 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(F)(F)F)cc3)[C@H]2c2ccco2)cc1C 170095290 IOLKNRAJPYANBV-FQEVSTJZSA-N 441.405 5.698 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)o1 170101233 MBKJIIZIQIIUJZ-QGZVFWFLSA-N 446.887 5.237 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2sccc2C)cc1 170105808 SRVOOIQYUQMSST-OAQYLSRUSA-N 445.496 5.594 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(O)cc1 170133018 LTSLXVHSIDLNNI-HSZRJFAPSA-N 443.499 5.109 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(C)c2)cc1C(C)(C)C 170148441 WTSMLGCXJHUWSI-DEOSSOPVSA-N 447.575 5.822 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2cccs2)cc1C 170160472 HJCBPULFFDIFKS-JOCHJYFZSA-N 449.528 5.252 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cccc(OCC(C)C)c1 170219037 RYASPTXMPBSKIX-JOCHJYFZSA-N 425.500 5.157 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccccc1 170232993 ZEGGJSOSYFTYSN-IBGZPJMESA-N 428.326 5.218 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccc(O)c2)c1 170259764 YTSWIZGVVJULJH-XMMPIXPASA-N 443.499 5.272 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(C)o2)c1 170303870 MFKSAKWMMSWKAH-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1sccc1C 170314325 VFULPFMRFDCUFE-OAQYLSRUSA-N 433.529 5.465 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccc(OC)c2)c1 170329371 XOKXXTHFRVRJJQ-XMMPIXPASA-N 443.499 5.267 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(OC(C)C)cc2)cc1 170393269 RXIAVYQUHNZQJO-HSZRJFAPSA-N 447.556 5.881 30 10 IKEE CCOc1ccc(Nc2nc(SC)nc(-c3cccc(Cl)c3)c2C#N)cc1OCC 243994952 SEYNZHTZZQEIGZ-UHFFFAOYSA-N 440.956 5.932 30 10 IKEE C=C[C@H](Sc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-])C(=O)O 249682125 BXUIXNRBCGUNPD-AWEZNQCLSA-N 433.791 5.791 30 10 IKEE C=CCn1c(SCC(=O)O[C@H](CC)CCCC)nnc1C12CC3CC(CC(C3)C1)C2 253567128 JSWVJCYMESUBOM-LOXVZWDBSA-N 431.646 5.536 30 10 IKEE C=C([C@@H](NCCC)c1cc(Cl)c(NC(=O)OC(C)(C)C)c(Cl)c1)C(F)(F)F 406644595 NFZONNUHKBCNEA-CQSZACIVSA-N 427.294 6.500 30 10 IKEE CCCCCCC/N=C(\CC)c1c(C(F)(F)F)nn(-c2nc3ccccc3s2)c1O 504753184 MGEZIJXPNADMCO-AFUMVMLFSA-N 438.519 6.376 30 10 IKEE CCOc1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1OC 526518499 YVPVHELZQFTWQN-DEOSSOPVSA-N 444.462 5.162 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(Sc3ccccc3)C2=O)cc1C 526656877 AWLJVSBAHPGDBO-UHFFFAOYSA-N 425.513 5.164 30 10 IKEE Cc1nnc(SCc2ccc(F)cc2)n1/N=C\c1ccc(OC(=O)c2ccccc2)cc1 526801371 MTVMMZHLJINWJW-YSMPRRRNSA-N 446.507 5.119 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccc(O)c(Cl)c2)c1 526808907 QXDFNJDEQIDGDQ-YSMPRRRNSA-N 448.979 5.711 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccc(O)cc2)c1 526819940 PMROYYMSFNGERD-QQXSKIMKSA-N 428.561 5.366 30 10 IKEE C=CCCCCCC(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 686822685 MYHSUBQMROYGNV-UHFFFAOYSA-N 428.617 5.642 30 10 IKEE CC(C)[C@@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)CC1 698481039 CWKOHQVBSJFIEA-VGSWGCGISA-N 435.406 6.689 30 10 IKEE 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)C1CCCCCC1 698873295 IRLXCVPAKMILDY-NAOGDZDTSA-N 447.620 5.484 30 10 IKEE C[C@H]1N(Cc2ccccc2)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 698888936 BEJGBDLJWIITHI-HOYKHHGWSA-N 425.960 5.638 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)C(C)(C)C2)cc1 698895939 VJAQVTQIRJOGHG-RUZDIDTESA-N 443.588 5.808 30 10 IKEE C[C@H]1C[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C 698909838 LFTXZNSEVJHMBY-KSFYIVLOSA-N 435.590 5.167 30 10 IKEE CCCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(Br)cc(Br)c1 698968436 NQDCTLMBSHUVBQ-AWEZNQCLSA-N 432.156 5.423 30 10 IKEE O=[N+]([O-])c1ccc(NN=Cc2cc(Cl)ccc2OCc2ccccc2)c([N+](=O)[O-])c1 1084549757 ASZGKTYUFJWRRZ-UHFFFAOYSA-N 426.816 5.181 30 10 IKEE C#Cc1ccc(NC(=O)[C@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)cc1 1134901242 YFIXHVQIXOSXIN-HNNXBMFYSA-N 445.569 5.306 30 10 IKEE CCOc1ccc(/C=C2/SC(=Nc3nccs3)N(c3ccccc3)C2=O)cc1OC 1772733037 GRNUYNXCWKKRAW-KDFQCDEHSA-N 437.546 5.359 30 10 IKEE Fc1c(F)c(F)c(-c2cnc(Cl)c(-c3c(F)c(F)c(F)c(F)c3F)c2)c(F)c1F 1848358380 CEIWUMMOIZUBRT-UHFFFAOYSA-N 445.643 6.460 30 10 IKEE CCCc1nc2sc(C)c(-c3ccc(OC)c(C)c3)c2c(=O)n1Cc1cccc(C#N)c1 1857803010 WHUWJFUBAZLCQG-UHFFFAOYSA-N 443.572 5.623 30 10 IKEE CCOC(=O)c1sc(NC(=O)c2c(C)oc3ccc(OCC(C)C)cc23)c(C#N)c1C 1859643586 MTUAQOAZQQBIBX-UHFFFAOYSA-N 440.521 5.447 30 10 IKEE N#Cc1cccc(C(=O)Oc2ccc(C3=CCN(C(=O)/C=C/c4ccccc4)CC3)cc2)c1 1860666756 WJWHQMRXMWIBBH-NTEUORMPSA-N 434.495 5.107 30 10 IKEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)c1ccc2nc(C(C)(C)C)[nH]c2c1 1861443251 JXANZNRGWCWZHJ-UHFFFAOYSA-N 442.648 5.626 30 10 IKEE N#Cc1ccccc1NC(=O)c1cc(CCc2ccccc2)n(-c2cccc(Cl)c2)n1 1862327712 HRMOLTFNKFYVDN-UHFFFAOYSA-N 426.907 5.435 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccccc1[N+](=O)[O-] 1862384667 XNXDAIWEAYLFHJ-ZMZPIMSZSA-N 449.290 5.278 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccccc1Br 1862439362 LGZHSRYMKXRBFO-SFHVURJKSA-N 448.744 5.481 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)c1 1862473991 IXKLNSBFDURWFU-UUOWRZLLSA-N 427.500 5.343 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2cccc(OCc3ccccc3)c2)cc1 1862484628 TVJFWVKSDQBSIB-RUZDIDTESA-N 441.527 5.561 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2cccc(F)c2)c1 1862489237 SQOJASNIDJEFEA-KOSHJBKYSA-N 429.491 5.782 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccc(F)cc2)cc1 1862489962 LCGHCOSAZDWCAD-RUZDIDTESA-N 443.518 5.572 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(O)cc1 1862507635 QDAKFOFHRMFJIC-XXBNENTESA-N 439.527 5.777 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(Br)cc1 1862511624 MSMBFIZVGIUXDP-IBGZPJMESA-N 446.316 5.275 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc2cc[nH]c2c1 1862546300 VCVFEQASRKSVEJ-UPCLLVRISA-N 428.532 5.424 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1cccc(OC)c1 1862591681 LZVGNBNHCXMKIV-CVDCTZTESA-N 437.536 5.338 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C2CCCC2)cc1 1862619124 ODFRSLKWBVTFJY-DEOSSOPVSA-N 447.575 5.904 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)OCO3)=C(O)C(=O)N1CCC1=CCCCC1 1862626206 XJURLFWCWIEYDR-DEOSSOPVSA-N 445.515 5.193 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc(Cl)cc2)cc1 1862689275 MKMKVDNUGJQGIK-ZAOYMGCJSA-N 439.939 5.506 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862702754 LRHGJGHNLGSJAX-RUZDIDTESA-N 441.527 5.345 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862735301 HQSGSSRWNJQDLP-QHCPKHFHSA-N 448.519 5.458 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccccc3Cl)C2=O)c(C)c1 1863074406 WYKNKIAPWPGPMB-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C(C)C)cc2)=C(c2ccc(F)cc2)C1=O 1863144738 GLMWJIRXFUMXQK-UHFFFAOYSA-N 436.571 6.502 30 10 IKEE Cc1ccc(C)c2c1C[C@@H](C)CN2c1cc(Nc2cccc(C#N)c2)nc(-c2cccnc2)n1 1868552670 ARNQJXXIFGQHAW-GOSISDBHSA-N 446.558 6.101 30 10 IKEE COc1ccc2c(c1)CCN(c1cc(Nc3ccccc3C#N)nc(-c3cccnc3)n1)[C@@H]2C 1868572150 GLSVMYYFVZDIAX-GOSISDBHSA-N 448.530 5.286 30 10 IKEE CC(C)(C)c1ccc(C(=O)Nc2c(C#N)nnn2Cc2ccc(Cl)c(Cl)c2)cc1 1870112511 IOCSNZVETQMRCC-UHFFFAOYSA-N 428.323 5.055 30 10 IKEE CCCCCCCOc1cn(CCCN(C)C)c(CSc2ccc(C)cc2)cc1=O 1870251397 HSQWJJYLQWAUIU-UHFFFAOYSA-N 430.658 5.750 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2F)c(=O)cc1CN1CCC[C@H](C)C1 1870342398 SSGNEVASCPPAHZ-QFIPXVFZSA-N 442.619 6.159 30 10 IKEE C=CCOc1cn(CCc2ccc(C)cc2)c(CNc2ccc(CCCC)cc2)cc1=O 1870809606 MAGGBYMWYBFEKS-UHFFFAOYSA-N 430.592 5.919 30 10 IKEE CCCCCCCOc1cn(CCCCCO)c(CNc2ccc(Cl)cc2C)cc1=O 1870838300 XNMMSWMHARWFEZ-UHFFFAOYSA-N 449.035 5.934 30 10 IKEE C=CCn1cc(OCCCOc2ccc(CC)cc2)c(=O)cc1CNc1ccc(F)cc1 1870880819 CRZPGCLJPYKLKJ-UHFFFAOYSA-N 436.527 5.196 30 10 IKEE CCCCCCCCN=c1[nH]c(Nc2ccc(OC(F)(F)F)cc2)ncc1[N+](=O)[O-] 1871305146 VATLELFVUGHYNY-UHFFFAOYSA-N 427.427 5.221 30 10 IKEE Cc1ccc(CCC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1 1871367510 PDCLPAFOWWTIRJ-QQXSKIMKSA-N 440.539 6.581 30 10 IKEE COc1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871376707 DXOFQBNZFWCHHL-USQUCKOTSA-N 426.468 5.547 30 10 IKEE Cc1cc(O)c(CN2C[C@@H](C)C[C@H](C)C2)c2c1C(=O)/C(=C/c1ccc(Cl)cc1Cl)O2 1871396572 MRQWJPIUQKHHFZ-KJJUKEMKSA-N 446.374 6.102 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OCc4ccc(C#N)cc4)c3C)C2=O)cc1OC 1871417282 GMPNAFGIQZHWPM-CFRMEGHHSA-N 427.456 5.079 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCc4c(Cl)ccc(Cl)c4Cl)ccc3C2=O)c1 1871428363 XELGGKWIAQNLPS-FBHDLOMBSA-N 445.729 7.150 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3c(ccc(OCCc4ccc(C)cc4)c3C)C2=O)c1 1871437656 UHOJZZXDIAYIGU-XYGWBWBKSA-N 430.500 5.558 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccccc1)C2=O 1871457798 ZDKUYUNJSHQPHW-JJFYIABZSA-N 433.891 5.591 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(Nc2ccccc2)cc1)[C@H](C)CC)S(=O)(=O)CC 1872157005 FHYNAWACFPJOGU-XXBNENTESA-N 443.613 5.011 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cc(C)ccc1C)[C@@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872571160 DQHDPCMVOSVIKA-FDDCHVKYSA-N 446.588 5.063 30 10 IKEE N#C[C@H](C(=O)c1cccc(Oc2ccccc2)c1)c1nc(-c2c[nH]c3ccccc23)cs1 1872777108 GSZGVXSJQOZZIF-OAQYLSRUSA-N 435.508 6.574 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3c(C)ccc(C)c3C)n2)c(OC)c1 1872784584 VAGHAEKBQQYPNI-IBGZPJMESA-N 436.533 5.008 30 10 IKEE CCCCCCCCNC1=C(c2ccc(Cl)cc2)C(=O)N(CCCCCCCC)C1=O 1873138317 LVRUFFTZDWRCSD-UHFFFAOYSA-N 447.063 6.731 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cccc(OC)c2)=C(c2cccnc2)C1=O 1873265631 TYWKUBJXKXIVSG-UHFFFAOYSA-N 435.568 5.423 30 10 IKEE N#Cc1cccc(C(=O)Nc2c(C(=O)Nc3cccc(C(F)(F)F)c3)oc3ccccc23)c1 1873434932 WCXUHMNLKQOKMN-UHFFFAOYSA-N 449.388 5.828 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(CC)cc1)n2CC(C)C 1873621303 PCVNZQDNQLQMPE-UHFFFAOYSA-N 449.643 6.674 30 10 IKEE CCCCCCCCCCNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccc(C)cc12 1873936648 LXROOVIBQJTUCM-UHFFFAOYSA-N 437.027 7.734 30 10 IKEE CCSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1ccccc1F 1874197000 MQHADLCIBRKDAK-YZSQISJMSA-N 434.540 5.576 30 10 IKEE CSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874281415 HWEYXNNSCHCJRK-SSDVNMTOSA-N 425.772 5.628 30 10 IKEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1cccc2ccccc12 1874284348 BMVVCZAMDIEEFW-YZSQISJMSA-N 432.980 6.030 30 10 IKEE C=CCSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1ccc(Cl)cc1Cl 1874321364 NWKZPJKHJVJPBN-WYMPLXKRSA-N 447.391 5.941 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3F)n2/N=C/c2sccc2C)cc1 1874389589 UTBSAUNRQJRROQ-AFUMVMLFSA-N 436.581 5.861 30 10 IKEE C=C(C)CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1ccc(OCCCC)cc1 1874395787 VUHIWVAANMTSDR-ZFOBRQHDSA-N 434.609 6.159 30 10 IKEE C=C(C)CSc1nnc(-c2ccco2)n1/N=C/c1ccc(OCc2ccc(C)cc2)cc1 1874466582 QVCQZKNIBFIHDF-CVKSISIWSA-N 444.560 5.976 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C(C)(C)C)c1 1874483322 PRKSKBPLFAAQFH-MFKUBSTISA-N 426.561 5.678 30 10 IKEE Cc1ccccc1CSc1nnc(C2CCC2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874495060 RVNSGUFKRTWHNG-FSJBWODESA-N 441.944 5.590 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C2CCC2)c(O)c1 1874497672 VCJSQUXLACFCPR-AUEPDCJTSA-N 449.363 5.438 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc3ccccc3c2)c1OCc1cccc(C)c1 1874571249 DCBPUTHAWVOGNZ-OUKQBFOZSA-N 442.942 7.285 30 10 IKEE CC(C)COC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(Cl)cc1Cl 1874573367 JYSSSVISHOJZCK-XVNBXDOJSA-N 441.738 6.121 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c1OCCc1ccccc1 1874575624 XJWLVTFFXIPTPP-FMIVXFBMSA-N 437.879 5.774 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)c1ccc2c(c1)OCCO2 1874581898 LQOSZUZYNGVYNV-QPJJXVBHSA-N 441.310 6.240 30 10 IKEE CCN(CC)C(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1cccc2ccccc12 1874583287 GMUAYGTUTSTTGU-ISLYRVAYSA-N 437.539 6.136 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cc(Cl)ccc1OCc1cc(C)ccc1C 1874592751 ZUOKIEBXZPJLJV-RMKNXTFCSA-N 441.354 7.094 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccc(C)cc3C)c2)cc1C 1874593696 XHXJLZOCXAQLCD-FMIVXFBMSA-N 429.516 5.534 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OCC(=O)Nc1cccc(C)c1 1874596671 XKAMJARXTNPDBX-FMIVXFBMSA-N 429.516 5.534 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccccc3)c2)cc1C(C)C 1874598638 WVRUKACXRCAHGA-BUHFOSPRSA-N 443.543 6.041 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 1874611051 ZEOSWIMVHRDPIP-VZUCSPMQSA-N 428.271 6.377 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(C)cc1 1874614621 VQTLTZOBPUUDJI-MDWZMJQESA-N 441.354 7.176 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1OC(=O)c1ccccc1C 1874705882 FGIYTMHDTMEOLO-MHWRWJLKSA-N 428.528 6.416 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Br)cc2)ccc1OC(=O)C(F)(F)F 1875110844 GBMOCFSVUXINRN-YCRREMRBSA-N 443.215 5.212 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc(Br)c3)cc2)c1 1875114300 IRBVFWAMJFXHRL-DHZHZOJOSA-N 435.317 6.181 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1 1875116547 HDEZZIXMVXJOPK-VIZOYTHASA-N 431.444 5.038 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3c(F)cccc3Cl)c(Cl)c2)c(C)c1 1875131706 KNHNQBCBNPTYQX-JXMROGBWSA-N 443.301 6.865 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(C)c3)cc2)cc1[N+](=O)[O-] 1875140837 AGDLVENODIOVRU-VZUCSPMQSA-N 435.407 5.166 30 10 IKEE O=C(Cc1ccccc1[N+](=O)[O-])Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1 1875154077 NAPPBLUQSBALSO-SAPNQHFASA-N 437.451 5.792 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1 1875156192 OBHQDMKQANQLFW-UFFVCSGVSA-N 446.546 7.592 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)c(Cl)c1)c1ccc(F)cc1 1875158364 RSJSZTPUMUZKQW-XLUWADSXSA-N 449.692 6.901 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccs2)cc1)c1ccc(Oc2ccccc2)cc1 1875165531 MOTKZTVLBFYCQD-LICLKQGHSA-N 426.493 6.656 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3C)cc2)c(OCC)c1 1875177683 HOWNTGCFWJWXDI-SFQUDFHCSA-N 430.500 5.908 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2OC)c1 1875179001 OJSWYPKQGXEKDC-JLHYYAGUSA-N 430.500 5.826 30 10 IKEE Cc1cnc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(Cl)ccc3Cl)cc2Cl)cn1 1875189458 RAFOKBNHQPKDOM-QHHAFSJGSA-N 447.705 5.861 30 10 IKEE COc1ccc(NS(=O)(=O)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)cc1C#N 1891688907 NGWWCHUJLRQIKN-UHFFFAOYSA-N 432.423 5.053 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1ccccc1NC(=O)OC(C)(C)C 2031833214 ZTXJSXHXLMUBJR-OAQYLSRUSA-N 437.540 6.348 30 10 IKEE CC(C)(C)OC(=O)c1c(C2CC2)nn(-c2ccc(F)c(C(F)(F)F)n2)c1C(F)(F)F 2078878656 FZLRNJKQEWXXCU-UHFFFAOYSA-N 439.331 5.277 30 10 IKEE CC(C)c1nn([C@@H](c2ccc(C3CCC3)cc2)C(C)C)c(I)c1C#N 2079929499 VNTGHOCGKNBMAK-HXUWFJFHSA-N 447.364 5.996 30 10 IKEE COc1ccc([C@@H](C2CCC2)n2nc(C(F)F)c(C=NO)c2Br)c(C)c1 2079951654 WDIWCAVIBASHKR-MRXNPFEDSA-N 428.277 5.098 30 10 IKEE CC[C@@H](c1ccc(OC(C)C)cc1)n1nc(C2CC2)c(C#N)c1I 2080120197 WQXSIHZLYIQNGX-KRWDZBQOSA-N 435.309 5.023 30 10 IKEE Fc1cccc(C(F)(F)F)c1-c1c(C(F)(F)F)nn2c(Cl)c3c(nc12)CCCC3 2081480137 NZELPPZWUUPSQH-UHFFFAOYSA-N 437.746 6.105 30 10 IKEE CCCCC#CC[C@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2083449490 ZCAGNRPSFRQXIS-IGKIAQTJSA-N 441.660 5.108 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(C)sc(C)c1Br 2087631053 DEIXJYBWCNQWEE-CRAIPNDOSA-N 445.467 6.028 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@H](C#N)c1c(F)cc(Br)cc1F 2114281963 VCRBAVNYCDYPBR-MRXNPFEDSA-N 429.305 5.862 30 10 IKEE CCCCCCCCC[C@H](O)c1ccc(Br)cc1I 2142282888 JKKLZCOGVUUMJD-INIZCTEOSA-N 439.175 6.228 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](CCNc1cccc(Br)c1C#N)c1ccccc1 2162417186 ZDFKHLIBQUNGPT-SFHVURJKSA-N 430.346 5.389 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@]2(CNc3cc(Br)ccc3C#N)CCC[C@H]12 2165309371 WEEWIKAKHIAQSX-GHTZIAJQSA-N 434.378 5.302 30 10 IKEE C[C@H](N(Cc1ccccc1)c1ccnc2cc(B3OC(C)(C)C(C)(C)O3)cnc12)C(C)(C)C 2172782056 MAPJNUQUWHNLOW-IBGZPJMESA-N 445.416 5.370 30 10 IKEE CCCC#CC[C@@H](NCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2203808165 TWHWHBGKCCUOLZ-WOJBJXKFSA-N 437.422 5.057 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1sc(C)c(C)c1Br 2221829828 GGCJLYUWOYJAHO-HOCLYGCPSA-N 431.440 5.638 30 10 IKEE CCCN[C@@H](C#CC(C)(C)C)c1ccc(I)c(Br)c1 2225440113 RURADGYPDUJHLD-HNNXBMFYSA-N 434.159 5.144 30 10 IKEE Cc1cc(NC(=O)[C@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)cc(C)c1C#N 2243056227 BYSUQUYXYNHIEB-SFHVURJKSA-N 439.515 5.041 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(Nc2cccc(Br)c2)C[C@H]1C(F)(F)F 2294637925 WPPVLWIYQIDGJP-YOEHRIQHSA-N 448.283 5.085 30 10 IKEE CCN1C(=C2SC(=Nc3cccc(C)c3)N(C3CCCCC3)C2=O)Sc2ccccc21 2295172584 DPUUKHIHTTXBCO-UHFFFAOYSA-N 449.645 6.692 30 10 IKEE CC(C)c1ccc([C@@H]2C(=C(O)c3ccc(Cl)cc3)C(=O)C(=O)N2c2nccs2)cc1 2297747098 BCDPESCVCNJTCL-LJQANCHMSA-N 438.936 5.546 30 10 IKEE O=C1C(=NN(Cc2ccccc2)c2ccccc2)c2ccccc2N1CC=Cc1ccccc1 2313646619 SDWSFYNDOKFALP-UHFFFAOYSA-N 443.550 6.158 30 10 IKEE COc1ccc(C=C2SC(=Nc3nc(C)cs3)N(c3ccccc3)C2=O)cc1OC 2314543607 IQDDYYWZCBTPBK-UHFFFAOYSA-N 437.546 5.277 30 10 IKEE COc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CC2)c(OC)c1 2320887025 NUKTXDAKZZQJGV-UHFFFAOYSA-N 428.945 5.001 30 10 IKEE CCCCCCCCCOc1ccc(C=Nn2c(S)nnc2CC(C)C)cc1Cl 2321908113 VTNYDADDLCZLEY-UHFFFAOYSA-N 437.053 6.430 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(S)n1N=Cc1cccc(OCc2ccccc2Cl)c1 2321962571 PRNUCGROVOSDLX-KRWDZBQOSA-N 448.979 5.833 30 10 IKEE COc1cccc(C=C2Oc3c(cc4c(c3C)OCN(C3CCCCCC3)C4)C2=O)c1OC 2322359574 GWXKRKWLKDFQTN-UHFFFAOYSA-N 449.547 5.503 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)c1 2322371936 BIUMKSKKDOLWRP-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(Cl)cc2)c1OCC(=O)Nc1c(C)cccc1C 2322542287 SAVOIXRZSGBKEM-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc2c(c1C)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2322684257 IDIHDEAFJZPYJQ-UHFFFAOYSA-N 446.502 6.806 30 10 IKEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)cc1 2322687783 QHQVLUVXGOTFTL-UHFFFAOYSA-N 442.511 6.137 30 10 IKEE COC(=O)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2cccc(C)c2)C3=O)cc1 2323606883 JTEIUXWXPSSQBZ-UHFFFAOYSA-N 440.451 5.017 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(C)c2)C3=O)cc1 2323627860 GQLXEUXALLGYAR-UHFFFAOYSA-N 428.440 5.064 30 10 IKEE Cc1c(OC(=O)c2ccc(-n3cccc3)cc2)ccc2c1OC(=Cc1cccs1)C2=O 2323676012 IODUXFJHBWQODG-UHFFFAOYSA-N 427.481 5.683 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OCC(=O)Nc1ccccc1 2323865629 BWHAEPWMBRLWHC-UHFFFAOYSA-N 429.516 5.616 30 10 IKEE Cc1c(OC(=O)c2ccc(OC(=O)C(C)C)cc2)ccc2c1OC(=Cc1cccs1)C2=O 2323933950 GWFVHNGHVLSCJS-UHFFFAOYSA-N 448.496 5.453 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OCc3cccc(Cl)c3)c(OC)c2)c1 2324030042 VHCHEALGLZPEOJ-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OCCc1ccccc1 2324272368 BNRRSOQRJBFOKD-UHFFFAOYSA-N 444.571 6.653 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccc(C)o2)C3=O)c(C)c1 2324494931 BRCAJORDWRWZLK-SFHVURJKSA-N 431.488 5.535 30 10 IKEE Cc1cc(OCCCCOc2ccccc2)cc2c1C(=O)C(=Cc1ccccc1Cl)O2 2324582542 HACDKIDFCLAXSU-UHFFFAOYSA-N 434.919 6.503 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc(Br)c1OC 2324598988 YSMUWNHSUQUJFH-UHFFFAOYSA-N 446.124 5.678 30 10 IKEE CCc1ccc(OCCCOc2ccc3c(c2C)OC(=Cc2ccccc2F)C3=O)cc1 2324662119 JGTAJUPTPAZEJL-UHFFFAOYSA-N 432.491 6.161 30 10 IKEE COc1c(Cl)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)C=Cc2ccc(F)cc2)n1 2324714183 AOIYGGKXMDXCJH-INIZCTEOSA-N 447.318 6.154 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cc(Cl)ccc3Cl)c2)cc1C 2325714898 ZZUMTBSNAAMOOJ-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2cc(Cl)ccc2Cl)c1)c1cccc(Cl)c1 2325728572 VODGHBDRJKVDMW-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OC(=O)c1cc(Cl)ccc1Cl 2325737640 NVCTZGOVVXKHSW-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2OC)cc1OC(=O)Cc1ccc(F)c(C)c1 2325742275 SXNDLQZCNOPPRB-UHFFFAOYSA-N 448.490 5.504 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OC(=O)CCc3ccccc3OC)c2)c1 2325744506 IHQWUYWWBBSYKA-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2cccc(OC(=O)c3ccc(F)cc3)c2)c1 2325758195 JQLSNQRKFJPHIM-UHFFFAOYSA-N 434.463 5.738 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1cccc(C)c1 2325951433 UEOZRJDFXFTKJG-UHFFFAOYSA-N 441.398 5.490 30 10 IKEE CCOc1cc(C=Nn2c(C)nnc2SCc2cc(C)cc(C)c2)ccc1OC(C)C 2326398828 YZXHGRGMFFNCHV-UHFFFAOYSA-N 438.597 5.564 30 10 IKEE CCOc1c(Cl)cc(C=Nn2c(C)nnc2SCc2cc(C)cc(C)c2)cc1Cl 2326399050 FNPVFUZMLKFWAQ-UHFFFAOYSA-N 449.407 6.083 30 10 IKEE Cc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1ccc(OC(C)C)c(Cl)c1 2326660894 LGYGBDCQMRXESJ-UHFFFAOYSA-N 425.945 5.073 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(OC(C)(C)C)cc1 2326736180 BBURCAJKNPRLDL-UHFFFAOYSA-N 440.588 6.112 30 10 IKEE CCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccc(F)cc1F 2326927105 KLKKVTOZYFQWCF-UHFFFAOYSA-N 430.568 5.700 30 10 IKEE C=C(C)CSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1ccc(F)cc1F 2328156034 VOEAUZXCWNXAKS-UHFFFAOYSA-N 432.584 6.571 30 10 IKEE Cc1ccc(CSc2nnc(COCc3ccccc3)n2N=Cc2cccc(F)c2)cc1 2329302628 JDJNCDCHZWPCNL-UHFFFAOYSA-N 446.551 5.617 30 10 IKEE CCSc1nnc(CCc2cccs2)n1N=Cc1ccc(OCc2ccccc2)cc1 2329657364 BFOWFMWWMCXNOU-UHFFFAOYSA-N 448.617 5.698 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2N=Cc2cccc(C)c2)cc1 2330032839 PEZRUUJFTIAPID-UHFFFAOYSA-N 447.007 6.314 30 10 IKEE COc1ccccc1C=Nn1c(SCc2ccccc2)nnc1[C@H](C)c1ccccc1 2330104980 UVGVOHYCYKYODV-LJQANCHMSA-N 428.561 5.613 30 10 IKEE Clc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCCc2ccccc2)cc1 2330493194 AHWVIGAHPHSENE-UHFFFAOYSA-N 432.980 5.739 30 10 IKEE CCSc1nnc(-c2ccccc2)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2330662026 FSTRCGOECBKGFA-UHFFFAOYSA-N 448.979 6.172 30 10 IKEE Oc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2-c2ccccc2)c(O)c1 2330692539 IFHPUCIKZALSEN-UHFFFAOYSA-N 436.924 5.184 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H](C)c3ccccc3)c([N+](=O)[O-])c2)cc1 2330750114 GXJNPHUVLJFZON-GOSISDBHSA-N 429.472 5.762 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(OC)c2)cc(OC)c1OC(=O)c1ccc(F)cc1 2330798766 RJDXVJITJUANBH-UHFFFAOYSA-N 446.474 5.687 30 10 IKEE COc1cccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2[C@H]2CCCO2)c1 2331009343 YBDNMWULUXGPFG-LJQANCHMSA-N 446.935 5.105 30 10 IKEE Cc1ccsc1C=Nn1c(SCC(=O)Nc2ccc(F)cc2)nnc1C1CCCC1 2331032933 FIJSYNLMSNSCNO-UHFFFAOYSA-N 443.573 5.058 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccccc3OC)cc2OC)cc1 2331081427 CZGZATAEESHLFS-UHFFFAOYSA-N 444.527 5.701 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])cc1OC 2331273756 QWWMJTZJRPOZOF-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)c1cc(Cl)ccc1OC 2331293347 ZIWLDDFEXBMBMA-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1 2331381169 REDAJEYPWWHTDF-UHFFFAOYSA-N 446.543 5.722 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)c3cc4ccccc4n3C)cc2)c1 2331382142 ATCMBNKARDTVOG-UHFFFAOYSA-N 441.483 5.311 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(Cl)c(Cl)c1 2331382873 QPCLNTPAZUHULC-UHFFFAOYSA-N 437.371 6.196 30 10 IKEE Cc1ccsc1C=Nn1c(SCc2ccc(Cl)c(Cl)c2)nnc1C(C)(C)C 2331411098 NNPWBRZNJNQQQV-UHFFFAOYSA-N 439.437 6.427 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2OC)cc1 2331508592 FNMAXEJUWQOVKX-UHFFFAOYSA-N 430.500 5.943 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@@H]2CCCO2)c(Cl)c1)c1ccc(Oc2ccccc2)cc1 2331594951 VGZAXLDEMNIWFO-VWLOTQADSA-N 448.902 6.113 30 10 IKEE COc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OC 2331715465 STDKFASXNYRRKF-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)ccc1OC(=O)C1CCCC1 2331814841 BOLDEPXZEJEWOJ-UHFFFAOYSA-N 449.330 6.002 30 10 IKEE CCN[C@H](C#C[C@@H]1CC1(F)F)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2341023630 YTEMSLKYKNBGTH-JWQCQUIFSA-N 447.525 6.154 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Oc2cc(Cl)c(C#N)cc2F)ccc1Br 2344214737 ZHKISXCIEISOBK-UHFFFAOYSA-N 441.684 6.253 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](N)c1c(C)c(C)c(Br)c(C)c1C 2345960369 WOGXIDGLHRORGW-LPHOPBHVSA-N 425.411 5.542 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(C)cc(Br)c1OC 2365216566 VTHIEOLMJORXOG-QZTJIDSGSA-N 441.410 5.276 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NC)c1c(C)c(C)c(Br)c(C)c1C 2375338449 IRNQITRBXSWHAW-PXNSSMCTSA-N 439.438 5.803 30 10 IKEE C[C@@H]1CCc2c(sc(NC(=O)COc3ccc(Cl)cc3Br)c2C#N)C1 1984358 QQIGYFPJQUFMKG-SNVBAGLBSA-N 439.762 5.178 30 10 IKEE O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccccc1C(F)(F)F)Nc1ccccc1N2 21225492 DLOBASVYAVXFQB-PSLXWICFSA-N 440.490 6.746 30 10 IKEE CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1Cl 21231271 BRDHMIQJXFOZFQ-WINIVTDRSA-N 444.962 6.718 30 10 IKEE CCc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C(C)C)cc2)cc1 21242654 QJBSWRGYNRGVEC-HLADLETHSA-N 436.599 7.352 30 10 IKEE C[C@H]1CCc2c(C#N)c(NC(=O)COc3ccc(Br)cc3)sc(=S)c2C1 41013999 YFEYVMUEKNCDDU-NSHDSACASA-N 449.395 5.254 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O3)CN(C[C@H]1CCCO1)CO2 41648289 KZHWSHPCOVEKEX-XBPUZACXSA-N 433.548 5.240 30 10 IKEE CC(C)Oc1cccc([C@@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccccc4)nn32)c1 54644516 NFBRUEDZYXLIOH-HSZRJFAPSA-N 446.576 5.380 30 10 IKEE CCOC(=O)[C@H](C)Sc1n[nH]c(N/N=C/c2ccc3ccc4cccc5ccc2c3c45)n1 59310319 NRKNBMMCXZZPOH-XHCMJAMOSA-N 443.532 5.192 30 10 IKEE Cc1cc(C)cc(/N=C2\NC(=O)/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)S2)c1 83308551 QSGOHGPMMNYVBS-CIAFOILYSA-N 433.489 5.672 30 10 IKEE C=C(C)[C@H]1CC[C@]2(C)CC[C@@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 96030594 MQYXUWHLBZFQQO-FBVKAPMPSA-N 426.729 8.025 30 10 IKEE in-vitro CCCCCCCCCCCCCCCCNC(=O)c1ccccc1OCCCCC 100150149 QAHIVGBBKNDAND-UHFFFAOYSA-N 431.705 8.467 30 10 IKEE CCCCCCCn1c([C@H](C)NC(=O)c2cccc(Br)c2)nc2ccccc21 102224327 ISOSFYGRQHHDEL-KRWDZBQOSA-N 442.401 6.260 30 10 IKEE COc1ccc(/C=C2\C[C@H]3[C@@H]4CC=C5C[C@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1 118919647 RZZSYQOCHYTRMK-KICSPOFZSA-N 448.603 6.152 30 10 IKEE COc1ccc(/C=N\n2c(S)nnc2C2CCCCC2)cc1OCc1ccc(C)cc1 169909992 GXIMUWASOPUWBO-MYYYXRDXSA-N 436.581 5.393 30 10 IKEE COc1ccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2cccc(C)c2C)cc1 169925162 QCACRECETRREOS-AREMUKBSSA-N 441.527 5.414 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2cccc(OC)c2)cc1 169932778 CNIKMQXGMUXDOW-XMMPIXPASA-N 443.499 5.104 30 10 IKEE Cc1sc(N/N=C\c2cccc(OCc3ccc(Cl)cc3)c2)nc1-c1ccccc1 169942130 CSAYOJPJKJAWCM-YSMPRRRNSA-N 433.964 6.797 30 10 IKEE CC(C)Oc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCC2)cc1 169979290 VHPYUMJOQFKCGB-QFIPXVFZSA-N 439.939 5.648 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@H]1c1ccccn1)c1cc2ccccc2o1 169993136 OIPKLPVBFDMPBS-NRFANRHFSA-N 448.837 5.403 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2cccc(C)c2)cc1 170028306 GQLNAKAYHMFCIR-HSZRJFAPSA-N 447.918 5.830 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2C2CCCCC2)cc1 170031515 BVPYILSYZXFIGE-QHCPKHFHSA-N 435.520 5.005 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(Cl)ccc2C)[C@H]1c1ccccc1 170052373 RFBRCAJPMICTTA-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1cccc(O)c1)c1ccc(Cl)cc1 170082266 PGYVFNHUSKJSJU-HXUWFJFHSA-N 441.817 5.107 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cn(C)c3ccccc23)cc1 170083901 DAPSPOLMUPPVTK-VWLOTQADSA-N 436.511 5.524 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2sccc2C)s1 170106800 HGDNIACLKJEEIW-MRXNPFEDSA-N 444.965 5.566 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2cccs2)c1 170139259 ZOVGUSQIFMAOCV-HJPURHCSSA-N 445.540 5.158 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccc(OC(C)C)cc1 170151833 UATIMBACEGQOHW-QHCPKHFHSA-N 432.520 5.334 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)cc(C)c3OC)[C@@H]2c2cccs2)c1 170153801 AAUHDTVEPXZCAG-NRFANRHFSA-N 449.528 5.165 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccc(OCCC)cc1 170215243 XUAAJDWNNJDSQG-QHCPKHFHSA-N 432.520 5.335 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2CCC)cc1 170216195 NYAOANLNSBOMEJ-XMMPIXPASA-N 449.547 5.179 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccccc1)c1cc2cc(Cl)ccc2o1 170222883 BNNPIBRYBFWOJJ-JOCHJYFZSA-N 447.849 6.008 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccccc2)c1 170223673 OAGIRZWOKAGIFH-RUZDIDTESA-N 441.527 5.874 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1c[nH]c2ccccc12 170255804 DUNMXBCZIVMEGO-XMMPIXPASA-N 446.547 5.499 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2ccccc2)cc1 170265552 JIQHRDHTZPLMAD-DEOSSOPVSA-N 427.500 5.349 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@@H]1c1ccc(CC)cc1 170268184 NWAWPIAQQPYFMP-VWLOTQADSA-N 449.591 6.052 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccccc2C)c1 170271716 RKEZKOUIHSQHKG-XMMPIXPASA-N 443.499 5.272 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccco2)c1C 170285918 BZRMNIUQGHQTRB-DEOSSOPVSA-N 427.500 5.558 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCCC)c2)[C@H]1c1sccc1C 170319240 SZXPVRKOBISAEJ-FQEVSTJZSA-N 427.566 5.614 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(Cl)cc(Cl)c2)[C@@H]1c1ccccc1F)c1cccs1 170381703 RWUVRFSOWWILNU-GOSISDBHSA-N 448.302 5.977 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccc(OCc2ccccc2)c1 170457609 QCCUHYVSMJDSCH-VWLOTQADSA-N 445.515 5.369 30 10 IKEE CCCCCCC[C@H](C(=O)O)N(CCC)C(=O)OCC1c2ccccc2-c2ccccc21 226795061 BTINMUBBEGHRCY-RUZDIDTESA-N 437.580 6.461 30 10 IKEE CC(C)CN(CC(C)C)c1ccc(C=Nc2ccc3c(c2)oc2ccccc23)cc1[N+](=O)[O-] 252596356 CIPGNGGJENZWCY-UHFFFAOYSA-N 443.547 7.363 30 10 IKEE C(=NNc1nc2ccccc2[nH]1)c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12 254705571 BOBAJEQHAABACA-UHFFFAOYSA-N 427.511 6.620 30 10 IKEE Cc1ccsc1[C@@H]1C(c2ccc(OCC(C)C)cc2)=C(O)C(=O)N1c1ccccc1C#N 526603992 DECIRFPCYHKIKK-QHCPKHFHSA-N 444.556 6.020 30 10 IKEE CCN(C(=O)Nc1cccc(C(=O)Nc2scc(C(C)(C)C)c2C#N)c1)c1ccccc1 586682812 DPYMCUABPXTNMS-UHFFFAOYSA-N 446.576 6.228 30 10 IKEE C[C@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1csc(CC#N)c1 687755104 JESTUTXLLSMLFU-RUZDIDTESA-N 446.528 5.043 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C1 698835102 ZBIOVZUFLFLKFA-HJPURHCSSA-N 449.979 5.621 30 10 IKEE Cc1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)ccc1Br 698962818 BUOCKECKGRVBCQ-GOSISDBHSA-N 435.749 6.417 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 724031705 YRVSVWFHMNLDGA-UZUQRXQVSA-N 433.524 5.297 30 10 IKEE Clc1ccc2c(c1)C[C@H](N1CCN(N=Cc3ccccc3)CC1)c1ccccc1S2 725428505 SIINXGRKDZFHHV-QHCPKHFHSA-N 434.008 5.740 30 10 IKEE CC(=O)c1ccc(N=Cc2ccccc2OC(=O)c2sc3ccccc3c2Cl)cc1 1083886521 VZISWLZFVMVQIA-UHFFFAOYSA-N 433.916 6.727 30 10 IKEE O=C1C(=NNc2ccc([N+](=O)[O-])cc2)c2ccccc2N1Cc1c(Cl)cccc1Cl 1083972625 YPTWXCYZMSDZPI-UHFFFAOYSA-N 441.274 5.265 30 10 IKEE CSc1ccccc1N=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1 1084234163 VXUDXWJMQYTSQZ-UHFFFAOYSA-N 438.799 7.319 30 10 IKEE Cc1ccc(N2/C(=N/CC(=O)c3ccccc3)S[CH][C@H]2c2ccc([N+](=O)[O-])cc2)c(C)c1 1614418747 JVIIOEVBSFWFBL-YRZCPYHYSA-N 444.536 5.907 30 10 IKEE Cc1cc(C)cc(-n2c(C)cc3c2CC(C)(C)CC3=NOC(=O)Nc2ccc(Cl)cc2)c1 1772728327 HLAITVMVXRIHQJ-UHFFFAOYSA-N 449.982 6.981 30 10 IKEE COc1ccc(/C=C2/SC(=Nc3cccnc3Cl)N(C3CCCCC3)C2=O)cc1 1772735857 VXQJOALAXQDZTI-NLEVOZIKSA-N 427.957 5.680 30 10 IKEE C/C(C=NN=C1S/C(=C/c2ccccc2)C(=O)N1Cc1ccco1)=C/c1ccccc1 1772759305 PNBVSPVBFBENEO-KTUHFIDESA-N 427.529 5.841 30 10 IKEE N#Cc1nc(-c2c(F)c(F)c(F)c(F)c2F)ccc1-c1c(F)c(F)c(F)c(F)c1F 1848358694 VTBUTYSWRCDSLQ-UHFFFAOYSA-N 436.208 5.678 30 10 IKEE CCOc1ccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)nn2Cc2ccccc2F)cc1 1859409027 AWVXHLAHGNYHDW-UHFFFAOYSA-N 440.478 5.260 30 10 IKEE CCOc1ccc(/C=C/C(=O)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 1860723941 KYXMGVJOSVRKJM-VMPITWQZSA-N 431.332 5.344 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CCc1ccc(C)cc1 1861081571 FYTNDNRBCNBZBC-VWLOTQADSA-N 440.603 5.271 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc(Cl)cc2)cc1 1862392325 UVKZLBCRJOXAOF-QHCPKHFHSA-N 439.983 6.307 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1cccc(Cl)c1)c1ccc(F)cc1F 1862416085 CINUONOAMRWKDM-LJQANCHMSA-N 445.874 5.458 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(N(C)C)cc1 1862433883 NQVWAMMVPSBDMO-OAQYLSRUSA-N 426.944 5.175 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc([N+](=O)[O-])cc1 1862448377 MAYDXLKPICMSKU-LJQANCHMSA-N 428.872 5.017 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cc(Cl)cc(Cl)c1 1862452286 YPXIOJOHRCPQBX-GOSISDBHSA-N 438.738 6.025 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 1862481046 VSTGNYKJCKEHRQ-DEOSSOPVSA-N 440.543 5.466 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(C(C)(C)C)cc2)c1 1862494353 LDUQASFQYCSQRO-VWLOTQADSA-N 445.603 6.512 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862501567 FUOSZTHZUCWTGO-IQGLISFBSA-N 443.518 6.036 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(CC)cc1 1862530811 YJIQNTWZLLTCHI-RSXGOPAZSA-N 447.619 6.749 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(C)cc1 1862535119 ZMJISOBAVYEGOF-VWLOTQADSA-N 433.592 6.496 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1 1862541312 IYVSSQQGSRNTLW-RUZDIDTESA-N 441.527 5.426 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccc(Cl)cc2)cc1 1862554484 DPODDFHMLVRESD-JOCHJYFZSA-N 432.907 5.009 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2Cc2ccncc2)cc1 1862649166 ROFOKFMOLLWVNC-RUZDIDTESA-N 434.495 5.322 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccc1F 1862650263 RKIUWDVKOMHJOB-WSNNEZGNSA-N 443.518 6.136 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1c(F)cccc1Cl 1862653634 SZQFDUKPHYPVTD-FPTDNZKUSA-N 437.898 6.009 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2[C@@H](C)CC)c1 1862655708 NUXHGOXMQHREDS-AVRWGWEMSA-N 443.543 6.005 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccc(OCC)c1 1862663729 BONVTVGACSWXPE-RUZDIDTESA-N 449.591 6.367 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2ccccc2)cc1 1862687555 MGQJSPAHIGSBBJ-DEOSSOPVSA-N 427.500 5.091 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(C(=O)O)cc1 1862714450 KINNLZHKQSABQL-HSZRJFAPSA-N 443.499 5.162 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 1862746592 CGVHHEQQXCHICO-KNQAVFIVSA-N 436.508 5.532 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2)=C(c2ccc(OCCC)cc2)C1=O 1863338995 GNKVJQNNZHWMLZ-UHFFFAOYSA-N 434.580 6.028 30 10 IKEE C[C@H]1c2ccc(C#N)n2CCN1C(=O)c1ccc(N2COc3ccc4ccccc4c3C2)cc1 1866307687 AIMRWTHFQWPYMS-IBGZPJMESA-N 448.526 5.086 30 10 IKEE CCCCCCCOc1cn(CCc2ccccc2)c(CN2C[C@H](C)C[C@@H](C)C2)cc1=O 1870409349 PCIVXAFWAMBHLQ-DNQXCXABSA-N 438.656 5.918 30 10 IKEE C=CCOc1cn(CCCCCCO)c(CNc2ccc(-c3ccccc3C)cc2)cc1=O 1870816036 OHMPQXZCUOWXSP-UHFFFAOYSA-N 446.591 5.553 30 10 IKEE CCCCCCCCCCn1cc(OCCCC)c(=O)cc1CNc1cc(C)ccc1C 1871112561 JLCFHZFGTTVNHE-UHFFFAOYSA-N 440.672 7.397 30 10 IKEE CC[C@@H](C)N1COc2ccc3c(c2C1)O/C(=C\c1cc(Br)ccc1OC)C3=O 1871351976 KHHSJXOMGQWTLE-CFFVULROSA-N 444.325 5.024 30 10 IKEE CCCCCCCCN1COc2c(cc3c(c2C)O/C(=C\c2ccc(C(C)C)cc2)C3=O)C1 1871355830 YVZBMRQIEHSJKI-QQXSKIMKSA-N 447.619 7.247 30 10 IKEE Cc1cc(OC(=O)/C=C/c2ccc(Cl)cc2)cc2c1C(=O)/C(=C/c1ccc(F)cc1)O2 1871375217 ZLXZHKONKHZNGM-AGWINUGJSA-N 434.850 6.023 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(F)cc2)C3=O)c1 1871387563 CDRKCVIVEYSHEB-UCQKPKSFSA-N 432.447 5.758 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2)cc2c1C(=O)/C(=C/c1ccc(N(C)C)cc1)O2 1871404426 LJPIEBWOTOMLRD-XHFXOGKZSA-N 442.515 5.083 30 10 IKEE C[C@@H](Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O)C(=O)Nc1ccccc1Cl 1871405831 QMYGENKKDDVGSC-JCRYTKJOSA-N 437.854 5.501 30 10 IKEE Cc1cccc(OCCOc2ccc3c(c2)O/C(=C\c2ccccc2OC(F)F)C3=O)c1 1871408428 WMZCDKOWDRVVQD-UCQKPKSFSA-N 438.426 5.670 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871409143 YHFBYJGXHGZJDW-KJYOPFGQSA-N 439.511 5.882 30 10 IKEE CCc1ccc(NC(=O)[C@H](CC)Oc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871425572 MQBBMBUFSGGXQB-GEGYVFIFSA-N 445.490 5.800 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(C(C)C)cc2)cc2c1C(=O)/C(=C/c1cccs1)O2 1871435631 VWBWWHZWKVBBAD-XKZIYDEJSA-N 433.529 5.814 30 10 IKEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 1871830800 XTXWMBPJQDKNCM-HSZRJFAPSA-N 428.598 5.040 30 10 IKEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)CCCC 1871851695 XIGSESPURSPAQS-QHCPKHFHSA-N 444.597 5.204 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1cccs1 1872447281 ZNRMRVIESVTQQN-HXUWFJFHSA-N 434.627 5.246 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1CC)[C@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872494615 LUTPQAKCKGSYKQ-WZONZLPQSA-N 446.588 5.008 30 10 IKEE N#C[C@@H](C(=O)Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872763214 HEDPGFKJYDPCEP-AWEZNQCLSA-N 432.288 5.444 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)[C@H](C#N)c1nc(-c2c[nH]c3ccccc23)cs1 1872777340 LIIDBJTVYJVILS-LBPRGKRZSA-N 442.327 6.097 30 10 IKEE N#C[C@@H](C(=O)c1cccc2ccccc12)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872779590 MUUFPFVYDDHFQH-VWLOTQADSA-N 446.531 7.246 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc(CN2CCC(C(=O)OCC)CC2)cc1 1872882158 DEQZJDFEMWVGAC-UHFFFAOYSA-N 430.633 5.332 30 10 IKEE CCSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1c[nH]c2ccccc12 1874207390 JUMJWNQAZQLILW-YDZHTSKRSA-N 440.370 5.107 30 10 IKEE C=CCSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccccc1OC(C)C 1874267621 HGAFQRSSDYGPQU-ZVHZXABRSA-N 442.972 5.458 30 10 IKEE CCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc(N(CC)CC)cc1 1874276549 QYZZSPORPBEIJI-KOEQRZSOSA-N 442.032 5.557 30 10 IKEE CCCOc1ccc(/C=N/n2c(CCc3ccccc3Cl)nnc2SCCC)cc1 1874279985 XXKKJEKNUQGUKN-KOEQRZSOSA-N 443.016 5.890 30 10 IKEE CCSc1nnc(COc2ccccc2OC)n1/N=C/c1c(Cl)cccc1Cl 1874288481 HQVAMTWWDSAORT-SSDVNMTOSA-N 437.352 5.167 30 10 IKEE CCCSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1ccc(OC)cc1OC 1874331318 HKZXBDUUDOBTTA-PCLIKHOPSA-N 438.597 5.082 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccccn1 1874363438 FNDDBRVXXSHMRU-JVWAILMASA-N 447.995 5.595 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2/N=C/c2cccs2)cc1 1874390948 MVPKJCBQCOTQQY-ZVHZXABRSA-N 439.009 6.067 30 10 IKEE Cc1ccc(CSc2nnc(Cc3cccs3)n2/N=C/c2ccccc2C(=O)O)cc1 1874411541 YTLMNSCSUIARKB-ZVHZXABRSA-N 448.573 5.112 30 10 IKEE CN(C)c1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccc(Cl)cc2)cc1 1874440037 GFAWVKCPUAQMMN-MFKUBSTISA-N 442.032 5.761 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccccc1C(=O)O 1874440532 GFMFWAXRMHHUKQ-ZMOGYAJESA-N 442.972 5.393 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccco3)n2/N=C/c2ccc(C(C)(C)C)cc2)cc1 1874464199 WOVVGXKOTQIPFZ-WGOQTCKBSA-N 430.577 6.319 30 10 IKEE Fc1cccc(CSc2nnc(-c3ccco3)n2/N=C/c2c(Cl)cccc2Cl)c1 1874466400 ZZPPJDRLISAGAQ-BHGWPJFGSA-N 447.322 6.159 30 10 IKEE Clc1ccccc1/C=N/n1c(SCc2cccc3ccccc23)nnc1-c1ccco1 1874467680 VZMXYJFXGIIAHS-CVKSISIWSA-N 444.947 6.519 30 10 IKEE C=CCSc1nnc(CC(C)C)n1/N=C/c1ccc(N(CC)Cc2ccccc2)cc1 1874490255 HEHDVRZQYFZOBC-NLRVBDNBSA-N 433.625 5.663 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CCC2)cc1O 1874496082 UOPCMYLMTQGHKZ-FSJBWODESA-N 428.945 5.088 30 10 IKEE Cc1ccc(CCc2nnc(S)n2/N=C/c2cccc(OCc3ccccc3)c2)cc1C 1874564401 CNGSNQITQWSRRP-WPWMEQJKSA-N 442.588 5.430 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cccc(OCC(=O)Nc2c(C)cccc2C)c1 1874599535 QVJJTRXIQIVKMN-OUKQBFOZSA-N 443.543 5.842 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OCC(=O)Nc2nccs2)c1 1874599782 DEYHMSCPEBLTIA-PKNBQFBNSA-N 434.561 5.663 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)ccc1OCC(=O)NCc1ccccc1 1874605422 ZBEONWUCXOJZBL-FOWTUZBSSA-N 443.543 5.239 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OCc3c(F)cccc3Cl)c(Cl)c2)c1 1874605666 ZFGPIOHRPOVHJR-CSKARUKUSA-N 431.290 6.616 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OCC(=O)Nc1cccc(C)c1 1874608553 UTWTWRUYGXXRLB-ZRDIBKRKSA-N 435.907 5.571 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OCc1c(Cl)cccc1Cl 1874611476 LDHOAKWKNTWFAK-ZRDIBKRKSA-N 443.326 6.486 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(OC)c1OCc1ccccc1F 1874620116 JWBUERSPGQUORA-JLHYYAGUSA-N 434.482 6.485 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 1874624891 BDCBWPMEHFXGEF-LFYBBSHMSA-N 437.423 5.226 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)cc1C 1874636891 XVSYACQJCKHSDU-JLHYYAGUSA-N 429.516 5.534 30 10 IKEE Cc1cccc(C)c1OCC(=O)Oc1cccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c1 1874693500 IJFBLJXCHHHKTD-DTQAZKPQSA-N 440.539 6.063 30 10 IKEE CCc1ccccc1OCC(=O)Oc1cc(/C=C/C(=O)c2cccc(OC)c2)ccc1OC 1874694396 ATEODXURIDZMJL-WYMLVPIESA-N 446.499 5.147 30 10 IKEE CCCOc1ccc(CC(=O)Oc2cc(/C=C/C(=O)c3ccccc3)ccc2OC)cc1 1874701039 YPQVXHXTIMYFRV-RVDMUPIBSA-N 430.500 5.528 30 10 IKEE CCCCC1CCC(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c(F)c3)c2)CC1 1874707115 OSDHQQZFEDNUCL-RVDMUPIBSA-N 438.539 6.632 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(Cl)s2)CSc2nnc(C(C)C)n21 1874858739 GCJUXKOILYNCMX-HNNXBMFYSA-N 441.066 6.179 30 10 IKEE O=C(CCCOc1ccccc1)Oc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1 1875085078 OAZNVZZCPDJPQE-DTQAZKPQSA-N 431.444 5.256 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)c1cccc(C)c1 1875120716 HBXMNIXGAISIAZ-JXMROGBWSA-N 438.426 5.406 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC(=O)c1cccc(Cl)c1 1875123818 GIXDNMGVJMTXTA-WEVVVXLNSA-N 428.818 5.742 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc([N+](=O)[O-])c1OC(=O)C1CCC1 1875126773 WUHSGOQTEWWBAC-IZZDOVSWSA-N 429.856 5.249 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)cc2)ccc1F 1875141157 QFAHGWSQLUWXRY-NYYWCZLTSA-N 429.274 6.556 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(Cl)c1OC(=O)c1cccs1 1875153407 FPRMXQMYJFXJHT-VAWYXSNFSA-N 448.927 6.679 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc(OC)c1OC(=O)CC(C)C 1875153801 YMGBOXNWYNNULR-CSKARUKUSA-N 426.484 5.419 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccccc3)c([N+](=O)[O-])c2)cc1 1875157257 VVLFYBZDQYJWLN-RIYZIHGNSA-N 445.471 5.599 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)cc2)c(Br)c1)c1ccc(F)cc1 1875158170 IZROAMLZHYUBAM-QQDOKKFESA-N 443.243 5.843 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc(C)cc(C)c3)cc2)c(OC)c1OC 1875194062 JRWGJCNARRAIJY-XYOKQWHBSA-N 446.499 5.445 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N1CCC(C)CC1)n2CCCC 1875212525 JSBRDQPKGJHWGN-UHFFFAOYSA-N 427.637 5.876 30 10 IKEE C=CCn1c(C(=O)N(CCCC)CCCC)cc2c(NCc3cccc(C)c3)ncnc21 1875230391 XQYBEUYAKKDXQN-UHFFFAOYSA-N 433.600 5.580 30 10 IKEE CC#CCCCC[C@@H](NCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1885266054 VYNDGCDXPJUAFA-MUUNZHRXSA-N 441.615 7.079 30 10 IKEE C=C([C@@H](NCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1)[Si](C)(C)C 1922972186 XPKQUSHQPZVQEJ-QGZVFWFLSA-N 427.459 5.880 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C1(C)C 1988070571 IMXJOFAUTZMJTL-JOCHJYFZSA-N 435.952 5.373 30 10 IKEE CC(C)(C)OC(=O)NC1CCC2(CC1)CC(C#N)(N(C(=O)OC(C)(C)C)C1CCC1)C2 2007726434 XXWCXMZSDMRKGS-UHFFFAOYSA-N 433.593 5.286 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)C1CC1 2009354024 FLUMOFYORWZJJE-PKTZIBPZSA-N 430.633 5.457 30 10 IKEE CC[C@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1C 2014646025 MNXRXYSFQVEGDE-DVECYGJZSA-N 429.561 5.418 30 10 IKEE CC[C@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(OC)cc1 2067962259 GHBZQTSMBSAAKZ-NTKDMRAZSA-N 445.560 5.118 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@H]2CC[C@H]1CN2C(=O)OC(C)(C)C 2071499978 BAXPLBGUNXZPJB-CEYNDMKZSA-N 441.572 5.418 30 10 IKEE Cc1ccc([C@H](C2CCC2)n2nc(C(F)F)c(C#N)c2I)cc1C 2079015043 NACWNLDXGWSNCB-INIZCTEOSA-N 441.263 5.303 30 10 IKEE CC1([C@H](c2ccc(C(F)(F)F)c(F)c2)n2nc(C(F)(F)F)c(CO)c2Cl)CC1 2079855513 NWPGQPINSIOTTK-ZDUSSCGKSA-N 430.751 5.595 30 10 IKEE CC(C)c1ccc([C@@H](C2CCC2)n2nc(C3CCC3)c(C=NO)c2Br)cc1 2079943432 BLJALVDCFPLXSB-OAQYLSRUSA-N 430.390 6.234 30 10 IKEE CC(C)Oc1ccc([C@H](C2CC2)n2nc(C(F)(F)F)c(C=NO)c2Br)cc1 2080064884 YUNHNAJZYQCZIJ-HNNXBMFYSA-N 446.267 5.259 30 10 IKEE CCOc1ccc([C@H](n2nc(C(F)(F)F)c(C=NO)c2Br)C(C)(C)C)cc1 2080114834 XUNFZUNKTOEYDY-HNNXBMFYSA-N 448.283 5.507 30 10 IKEE C=CCC[C@@H](C)[C@H](NCCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2102113009 WRVYAESNHXZJDP-BEFAXECRSA-N 425.411 6.439 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)c(Br)c1)NCCC 2110503485 KDZNVHALSWYNFH-MSOLQXFVSA-N 445.829 5.483 30 10 IKEE CCN[C@@H](CC#C[Si](C)(C)C)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2130935199 QJMWGBNXFVGYKI-KRWDZBQOSA-N 439.470 5.718 30 10 IKEE CC(C)(C)[C@@H]1CCSC(=Nc2ccc(Cl)c(I)c2Cl)N1 2150345529 OQTSCGSDNPISHR-JTQLQIEISA-N 443.181 5.727 30 10 IKEE CC(C)(C)OC(=O)N1Cc2cccc(Nc3cc(Br)cc(F)c3C#N)c2C1 2163691186 DCLYOJONDXBCQU-UHFFFAOYSA-N 432.293 5.454 30 10 IKEE C=CCC1(Oc2cc(Br)nc(C(C)C)n2)CCN(C(=O)OC(C)(C)C)CC1 2184508499 VCOMMANJGHGWNH-UHFFFAOYSA-N 440.382 5.087 30 10 IKEE N#Cc1cccc(CCNCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)c1 2191234512 DHPNGQHWKALCRX-UHFFFAOYSA-N 448.566 6.049 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](Nc2cc(Br)cc(F)c2C#N)[C@H]1C(C)(C)C 2192474667 LKAHJULGMYNNJZ-RDJZCZTQSA-N 440.357 5.296 30 10 IKEE C=CCC[C@@](C)(CO)N(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(F)cc1 2211062836 BSNPBBGFFSUYCD-NDEPHWFRSA-N 445.534 6.298 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Cl)cc([C@@H](O)C#Cc2ccccc2Br)c1 2227484290 KGVJADARJUIGSB-SFHVURJKSA-N 436.733 5.535 30 10 IKEE C=C(C)CC[C@@H](NCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229110873 GFFPYULGFVRFHV-MOPGFXCFSA-N 425.411 5.219 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H](CC(C)C)NC(=O)OC(C)(C)C 2235718358 LNWGXJCQFANCCP-WOJBJXKFSA-N 437.422 5.108 30 10 IKEE C=CCCCCCC[C@@H](N)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237409053 LPGWQPWSFDAHET-UXHICEINSA-N 439.438 5.739 30 10 IKEE C=C(C[C@@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)OC 2262461958 HPACPFITCMVDJF-AREMUKBSSA-N 433.548 5.411 30 10 IKEE CC(C)(C)OC(=O)NCc1ccc(Cl)cc1Nc1ccc(C#N)c(Br)c1 2268703754 ZVNKPPYZRNFREA-UHFFFAOYSA-N 436.737 5.742 30 10 IKEE C=CCN1C(=O)C(=Cc2cc(Cl)c(OCc3cccc(C)c3)c(OC)c2)SC1=S 2293253025 AVGUGIDJMORGQR-UHFFFAOYSA-N 445.993 5.623 30 10 IKEE Cc1ccc(C(=O)C#Cc2ccc(Br)cc2)c(NC(=O)OC(C)(C)C)c1C 2296221090 FMYNJZOGJCSEGV-UHFFFAOYSA-N 428.326 5.647 30 10 IKEE Cc1ccc(C=C2SC(=Nc3ccc(C)c(C)c3)N(c3ccc(C)c(C)c3)C2=O)cc1C 2296977102 FQVLSWDMJUPTCT-UHFFFAOYSA-N 440.612 7.346 30 10 IKEE CCCCCCCCN1C(=O)C(=CNc2cc(Cl)ccc2C)C(=O)N(CCCC)C1=O 2297454759 KNEACJZTYDHWJP-UHFFFAOYSA-N 448.007 5.896 30 10 IKEE COc1ccccc1CN1Cc2cc3c(C)ccc(C)c3nc2SC1=NC[C@H]1CCCO1 2297506847 YAFRQDZKKMPZOU-OAQYLSRUSA-N 447.604 5.503 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2304187746 UKHGUNCYSLQMNJ-RBUKOAKNSA-N 433.593 5.238 30 10 IKEE COC(=O)c1cccc(-c2ccc(C=C3SC(=Nc4ccc(F)cc4)NC3=O)o2)c1C 2313558409 ZXEFWOSGAUOWFX-UHFFFAOYSA-N 436.464 5.072 30 10 IKEE CCN1C(=O)C(=Cc2ccc(C(C)C)cc2)SC1=Nc1nc(-c2ccccc2)cs1 2314543332 AYRQJSPLAQKBSE-UHFFFAOYSA-N 433.602 6.557 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1N=Cc1ccncc1 2321371183 UUQNUJAVPSGKLP-UHFFFAOYSA-N 448.379 5.152 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1 2322724921 VJJLEQWUZOCZIS-UHFFFAOYSA-N 425.355 7.592 30 10 IKEE COc1cccc2cc(C(=O)Oc3ccc4c(c3)OC(=Cc3ccccc3C)C4=O)oc12 2322860081 DSPGXESUPNVDFM-UHFFFAOYSA-N 426.424 5.585 30 10 IKEE Cc1ccc(NC(=O)COc2ccccc2C=CC(=O)c2cc(Cl)ccc2Cl)cc1 2322999449 JEMPJMQQPZYCQG-UHFFFAOYSA-N 440.326 6.215 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OC)c1OCc1cccc(F)c1 2323028629 IPCOWQFMBFXJHZ-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3ccc(C)c(C)c3)c2)c1 2323069064 LCQHXXDDUPKVPM-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE CCN(CC)C(=O)COc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)ccc1OC 2323073194 XKLQSLQUTFYNJG-UHFFFAOYSA-N 436.335 5.145 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(=O)CCCOc4ccccc4)cc(C)c3C2=O)c1 2323177986 SJYQGUJBFYNHKO-UHFFFAOYSA-N 444.483 5.384 30 10 IKEE Cc1ccc(NC(=O)COc2cccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C 2323195578 VVAVQVPFLSMUPX-UHFFFAOYSA-N 441.571 6.515 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc2c(c1)OC(=Cc1ccccc1OC(F)F)C2=O 2323226392 FQPMUNNENIKBAF-UHFFFAOYSA-N 440.373 5.191 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OCc2c(F)cccc2Cl)c1 2323303380 PSLFDHAUMKUEKM-UHFFFAOYSA-N 436.954 7.560 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl 2323371098 YXOHJYQPKODUTM-UHFFFAOYSA-N 444.915 5.172 30 10 IKEE C=CCOc1c(Br)cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1OC 2323434496 XIKGRGMEVSKRBB-UHFFFAOYSA-N 427.338 5.797 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OC(=O)c4ccc(-n5cccc5)cc4)c3C)C2=O)c1 2323676369 PGPJGNPSOQZWNS-UHFFFAOYSA-N 435.479 5.930 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc(Cl)c2)c(Cl)c1)c1ccc2c(c1)OCO2 2324084692 YZQHVKPOOFTNNU-UHFFFAOYSA-N 427.283 6.197 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3cc(OCCc4ccccc4)cc(C)c3C1=O)cn2C 2324281642 NQNFOPDDYKTFOO-UHFFFAOYSA-N 439.511 5.733 30 10 IKEE Cc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O 2324406242 WBVQAIHAPOOLRN-INIZCTEOSA-N 433.891 5.671 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)c(Cl)c2)cc1C 2324441729 MUWZWRCGCOBRNV-FQEVSTJZSA-N 447.962 6.109 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OCC(=O)NCc1ccccc1 2324454166 GUQIGKKFHOTMBL-UHFFFAOYSA-N 443.543 5.293 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)c(C)c1 2324545908 ZUUABUJVLVFHCW-UHFFFAOYSA-N 425.355 7.394 30 10 IKEE Cc1c(OCCCCOc2ccccc2)ccc2c1OC(=Cc1cccc(Cl)c1)C2=O 2324584888 LPGBNYPCWPXGJE-UHFFFAOYSA-N 434.919 6.503 30 10 IKEE CC(=O)c1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2sccc2C)C3=O)cc1 2324989737 IAQCFTFZTQSGIK-UHFFFAOYSA-N 447.512 5.201 30 10 IKEE Cc1c(O[C@H](C)C(=O)Nc2ccc(C#N)cc2)ccc2c1OC(=Cc1ccc(F)cc1)C2=O 2325302303 ZBDGDCBYYHFRBU-MRXNPFEDSA-N 442.446 5.028 30 10 IKEE Cc1cccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccccc2Cl)c1 2325449155 GGTOKYBAISNEIA-UHFFFAOYSA-N 447.007 6.200 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(OCCC)cc1 2325532730 XMCUVEDHOKQKLA-UHFFFAOYSA-N 443.016 6.237 30 10 IKEE CCCOc1cccc(C=Nn2c(CCC)nnc2SCc2cccc3ccccc23)c1 2325565255 BQBWNFXVFIRFBZ-UHFFFAOYSA-N 444.604 6.347 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OC(=O)c1c(OC)cccc1OC 2325759733 ZCSPGNSLPZPLLV-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3cccc(C)c3C)c2)c(OC)c1 2325761434 ZFTAJUHGSFQRQU-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCC(=C)C)n1N=Cc1ccccc1F 2326460894 QFNVSZMBVAGVBG-UHFFFAOYSA-N 438.528 5.111 30 10 IKEE CCCOc1ccc(C=Nn2c(CCc3ccc(OC)cc3)nnc2SCCC)cc1 2328585083 DBFOAAWKWABUAR-UHFFFAOYSA-N 438.597 5.245 30 10 IKEE C=CCSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1c(F)cccc1Cl 2328796507 KRUSUANQAIKPBX-UHFFFAOYSA-N 430.936 5.427 30 10 IKEE Cn1cc(C=Nn2c(SCc3cccc(F)c3)nnc2-c2ccccc2)c2ccccc21 2330651547 MWOHQDSPIMHHSW-UHFFFAOYSA-N 441.535 5.750 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1OC 2330802200 KZPPXEOMKGARFY-UHFFFAOYSA-N 441.738 6.647 30 10 IKEE COc1cc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccccc2)cc(Cl)c1O 2330844798 WAESSUSTKNCZJJ-UHFFFAOYSA-N 444.988 5.409 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2)ccc1OC(=O)Cc1ccc(F)cc1 2330874457 VIXZIBGWJHUMCM-UHFFFAOYSA-N 448.490 5.586 30 10 IKEE Cc1nc2ccc(C(=O)Oc3ccc(C=CC(=O)c4ccccc4Cl)cc3)cc2nc1C 2330910643 HJVPZAKFOCBRRP-UHFFFAOYSA-N 442.902 6.015 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2Cl)cc1 2331020561 ZHMUWJRVIPDARP-UHFFFAOYSA-N 435.863 5.601 30 10 IKEE FC(F)(F)c1ccc(C=Nn2c(SCCc3ccccc3)nnc2C2CCCC2)cc1 2331077628 LARLTIOUUKHRMB-UHFFFAOYSA-N 444.526 6.172 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2C(F)(F)F)cc1 2331122793 LGOYSZMZAPLWFN-UHFFFAOYSA-N 447.530 5.626 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)Cc1ccccc1OC 2331344549 VIUZOGIBWLWAOO-UHFFFAOYSA-N 448.490 5.586 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2cc3ccccc3n2C)cc1 2331352169 MXMCIZGIXQXPCT-UHFFFAOYSA-N 425.484 5.611 30 10 IKEE COc1ccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2C(C)(C)C)cc1OC 2331397468 GMOYEGCFNCQDKH-UHFFFAOYSA-N 438.597 5.384 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(F)c3)cc2)cc1 2331450818 DLCYFFNBGNNEIB-UHFFFAOYSA-N 434.463 5.277 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1 2331468611 CXQKBDNUEGZJGF-UHFFFAOYSA-N 442.514 7.037 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1ccccc1OC 2331504164 SUGKCLNFOKVJGQ-UHFFFAOYSA-N 444.527 6.333 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)CC1CCCCC1 2331519577 WKZBPORLIGZDPD-UHFFFAOYSA-N 426.484 5.615 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C2CCC2)c1 2331547748 QCEKCIHBWFVEFL-UHFFFAOYSA-N 444.963 5.911 30 10 IKEE C=CC[C@H](Oc1ncc(Br)c2ccsc12)[C@H]1CCN1C(=O)OC(C)(C)C 2335889846 ZJDVKZYNJVTBBC-CABCVRRESA-N 439.375 5.392 30 10 IKEE CC1(C)OB(c2ccc(N(Cc3ccccc3)CC3CCCCC3)c(C#N)c2)OC1(C)C 2339462573 ITZREXQESORXDR-UHFFFAOYSA-N 430.401 5.444 30 10 IKEE Cc1cc(Br)c(Oc2nccc(C#N)c2Cl)cc1NC(=O)OC(C)(C)C 2344223378 MGFLAGJUTLIUHS-UHFFFAOYSA-N 438.709 5.817 30 10 IKEE N[C@H](C#Cc1ccn(C2CC2)n1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2366042760 DWVHNKRXWYNFSJ-HHHXNRCGSA-N 449.554 5.428 30 10 IKEE CCN1C(=O)/C(=C2\Sc3ccc(Cl)cc3N2CC)S/C1=N/CCc1ccccc1 13175143 LOKJFMSLYCLMKH-FZBJWRKTSA-N 444.025 5.635 30 10 IKEE CC(C)(C#N)c1ccc(NC(=O)c2cc(Br)c(Br)s2)cc1 25437729 DVBGBDMBOYGRCT-UHFFFAOYSA-N 428.149 5.327 30 10 IKEE CC(C)[C@@H](C(=O)O[C@@H](C#N)c1ccc(O)c(Oc2ccccc2)c1)c1ccc(Cl)cc1 31502249 GMAXTTBMQATUEV-BJKOFHAPSA-N 435.907 6.386 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(C(C)(C)C)cc1 33760263 APCZBOABAPBJEY-HSZRJFAPSA-N 447.531 5.345 30 10 IKEE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1 34745324 ZSGLVUNFDMKQOD-IAGONARPSA-N 432.863 5.796 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2Cl)Oc2cc(OCc3cccc(Cl)c3)ccc21 38320963 JYUARSDMWUQXFT-NKVSQWTQSA-N 431.702 6.842 30 10 IKEE COC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1 39754497 OLBHHHLXVZRLIG-QFEZKATASA-N 428.484 5.792 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 40078219 CQSYZIMFWPKOLL-DEOSSOPVSA-N 449.591 6.151 30 10 IKEE C=CCc1ccccc1OCCn1c(-c2cccc(Br)c2)nc2ccccc21 40250266 WONSCDHCBFUYFJ-UHFFFAOYSA-N 433.349 6.273 30 10 IKEE C(=N/Nc1nnc(SCc2ccccc2)[nH]1)\c1ccc2ccc3cccc4ccc1c2c34 59310243 HEECINSQYIMNBB-JFLMPSFJSA-N 433.540 6.440 30 10 IKEE Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)Nc1cccc(OCCCC#N)c1 59769942 RNCYDTSTPIIBRU-OUKQBFOZSA-N 448.954 5.536 30 10 IKEE O=C(/C=C\c1ccc(-c2ccccc2Br)o1)c1cccc(N2CCOCC2)c1 96794658 VYPGZDFRJSHXOJ-NTMALXAHSA-N 438.321 5.442 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccc2OC)c1 169946043 ZSXISFDRKDPBRZ-XMMPIXPASA-N 443.499 5.185 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccc(O)cc2)c1 169960660 QKHIJUDFAKGSMU-AREMUKBSSA-N 449.506 5.945 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccc(O)cc1 169961484 KOPJPUZNWMYNBL-QHCPKHFHSA-N 433.891 5.148 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccc(O)cc2)cc1C 169961821 GLUBGQAWYFVINU-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(OC(C)C)cc2)cc1 169977342 SCWBJQXLIQAVCW-VWLOTQADSA-N 441.527 5.819 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2cccc(C)c2)c1 170035758 XYNWINWVISTUCI-RUZDIDTESA-N 441.527 5.793 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(O)c(Cl)c2)ccc1F 170043986 YXXPVRYLMOHJHN-HXUWFJFHSA-N 429.875 5.014 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)ccc4[nH]3)[C@H]2c2ccccc2)cc1 170055949 UJWNCOBPIJADCL-QHCPKHFHSA-N 437.499 5.217 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1ccc(OC)cc1 170116080 HODSNHADBOFSNL-QHCPKHFHSA-N 435.564 5.680 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@H]2c2cccnc2)cc1C 170186054 KGBCPHNRVRDZIX-DEOSSOPVSA-N 442.515 5.134 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@@H]1c1ccc(Cl)c(Cl)c1 170246466 IXFHMEMYTLFQCF-IBGZPJMESA-N 448.346 5.607 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2F)c1 170249165 ZCCPGGCADNVZAR-NRFANRHFSA-N 437.854 5.271 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccc2F)cc1C 170249856 RZHMFYTTYGJTHK-DEOSSOPVSA-N 445.490 5.542 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1c1ccc(F)cc1 170271211 FNRLUSMPGCETMI-DEOSSOPVSA-N 445.490 5.704 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccco2)cc1C 170289502 VVPFYKHSOUNGED-QHCPKHFHSA-N 431.488 5.386 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccc(C)o2)cc1OC 170299976 HEMTZJLTYFXIHE-QHCPKHFHSA-N 447.487 5.005 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(CC)cc2)c1 170390008 TWBRWPLAXCPNGN-HSZRJFAPSA-N 431.488 5.414 30 10 IKEE CCCOC(=O)c1ccc(CN2C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]2c2cccc(C)c2)cc1 170459298 RVPQDCOQCXRLLQ-DEOSSOPVSA-N 449.547 5.073 30 10 IKEE CS(=O)(=O)Nc1ccc(/C=C\C(O)=N\c2ccccc2N2CCc3ccccc32)cc1 207350701 YYSVIXFHLOHZGD-QINSGFPZSA-N 433.533 5.054 30 10 IKEE COc1ccc(/C=C\C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(OC)c1 209276011 MXBJLBRFZZUSNO-UVTDQMKNSA-N 428.488 5.001 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccc(C)c2)cc1Cl 526489726 BYGJJCDUARCMCH-DEOSSOPVSA-N 444.918 5.976 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccc(F)c2)cc1 526517129 SZXXFXQMRJOPBY-DEOSSOPVSA-N 428.463 5.543 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(F)cc2)c1 526605199 NYKBCKAYKOOFOS-RUZDIDTESA-N 442.490 5.933 30 10 IKEE Fc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccccc2Cl)cc1 526802942 PGISGXSXLRUDDI-YSMPRRRNSA-N 436.943 5.836 30 10 IKEE CCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccc(C)cc2C)cc1Cl 526811690 PYVGMDIWXOLXIS-CFRMEGHHSA-N 428.989 5.684 30 10 IKEE Cc1cccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccc(C)cc2C)c1 526812215 JELLGCVBIKLKQY-PKAZHMFMSA-N 426.589 5.969 30 10 IKEE CCCCCCCOc1ccccc1/C=N\n1cnnc1SCc1cc(C)ccc1C 526818479 KVWCKYYERBKHCD-PKAZHMFMSA-N 436.625 6.419 30 10 IKEE C=C(C)CN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(Br)cc1 586208065 QVJCEPWAKAOBTL-UHFFFAOYSA-N 434.277 5.239 30 10 IKEE CSc1cccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccccc2Cl)c1 586226834 JZDIUADMMDKPRF-UHFFFAOYSA-N 428.966 5.329 30 10 IKEE COc1cccc(OC)c1/C=C\C(=O)c1c(O)nc2ccc(C)cc2c1-c1ccccc1 606444933 OZKQTFHUSRFUAI-SQFISAMPSA-N 425.484 5.829 30 10 IKEE CCCCCCCCCC(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 693667448 BQWFXHFFHVNPOE-UHFFFAOYSA-N 444.660 6.256 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@H](C#N)c1ccc(F)c(Br)c1 698830190 UZDAYOJPZMWRLS-GOSISDBHSA-N 425.342 6.113 30 10 IKEE O=C(/C=C/c1cccc(Br)c1OC(F)F)c1ccc(C(F)(F)F)nc1O 776727889 OCDTYJPELGKGTP-GQCTYLIASA-N 438.146 5.066 30 10 IKEE CC(=NNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)c1c[nH]c2ccccc12 1081095212 GWAPHAUMYKZWST-UHFFFAOYSA-N 434.507 5.676 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=Nc1ccncc1Cl 1772734039 OSFNFRWYTUWCHS-NAAAPUFRSA-N 444.343 6.272 30 10 IKEE Cc1c(N=Nc2cccc(Br)c2)c(O)n(CCc2ccccc2)c(=O)c1C#N 1772741338 HDYXSCZYUPNORU-UHFFFAOYSA-N 437.297 5.155 30 10 IKEE CCCn1c2ccccc2c2nnc(NN=Cc3ccc(OCCC(C)C)c(OC)c3)nc21 1772764882 HWXCQYKADNUZRI-UHFFFAOYSA-N 446.555 5.269 30 10 IKEE C=CCN(CC=C)C(=O)Oc1cccc2c(NC(=O)c3ccc(N(C)C)c(C)c3)cccc12 1858953030 ZRQVKXZMKCJSPU-UHFFFAOYSA-N 443.547 5.639 30 10 IKEE N#Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)n(Cc3ccccc3F)n2)cc1 1859388594 MPRFWLLGIWMGQX-UHFFFAOYSA-N 430.870 5.515 30 10 IKEE N#Cc1cccc(C(=O)Nc2cc(NC(=O)c3ccc(Cl)c(Cl)c3)ccc2Cl)c1 1860447344 IBLWAVZQHCNABY-UHFFFAOYSA-N 444.705 6.023 30 10 IKEE O=C(/C=C/c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 1860724939 VZZXGJDOVNHJCR-OVCLIPMQSA-N 425.406 5.505 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862406373 ODSCZUQSWHPUHT-HXOBKFHXSA-N 437.536 5.169 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc2cc[nH]c2c1)c1cccc(Cl)c1 1862446519 USRCOOLHOQPSMY-OAQYLSRUSA-N 432.863 5.193 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(F)cc1 1862457690 VKUDIJZTXKQPLA-CECALHEMSA-N 447.428 5.400 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccc2Cl)c1 1862491381 RMISCQXSKMNFFV-QHCPKHFHSA-N 449.909 5.874 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2cccc(Cl)c2)c1 1862491477 USLBGCIKIJFSOG-XMMPIXPASA-N 449.978 6.426 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862533202 GZQSHTQBMGRZEB-RUZDIDTESA-N 449.591 5.766 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(CC)cc1 1862606758 ZGSGTLOIRRDXAX-DEOSSOPVSA-N 449.547 5.179 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCC2=CCCCC2)c1 1862625767 NFACVIBNWBJXKT-XMMPIXPASA-N 445.515 5.193 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(C(C)C)cc2)=C(O)C(=O)N1Cc1cccnc1 1862660480 LYHCMFBNPUBJNP-DEOSSOPVSA-N 426.516 5.292 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(OCC)cc1 1862665749 NFOPNMZDXJXFLP-VWLOTQADSA-N 449.591 6.367 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862673147 JOUSYQSJXPFHRL-XMMPIXPASA-N 435.539 6.079 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 1862683069 NTLNUVBPLMOGKH-LJQANCHMSA-N 434.294 5.653 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(C(F)(F)F)cc2)c1 1862705823 HTROYYJNZBQFFK-HXUWFJFHSA-N 445.437 5.235 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccccc3OC(C)C)C2=O)cc1 1862892349 KBOHDFLJKSVHKP-UHFFFAOYSA-N 437.499 5.051 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(C(C)(C)C)cc3)C2=O)c1 1863024025 SARHIEKLXVRNLD-UHFFFAOYSA-N 449.554 5.869 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccccc3C#N)C(=O)N(Cc3ccc(Cl)cc3)C2=O)c1 1863408437 IVAJMKCXGATTPZ-UHFFFAOYSA-N 441.918 5.221 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cccc(F)c2)=C(c2cccs2)C1=O 1863468949 MHCGAMSCVFNRJE-UHFFFAOYSA-N 428.573 6.220 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H](C)c2ccccc2)=C(c2ccccc2Cl)C1=O 1863778361 JVIBOFQVVVVIOR-IBGZPJMESA-N 438.999 6.131 30 10 IKEE CCCCCCCCCSc1nc(O)c2c(-c3ccc4c(c3)CCCC4)csc2n1 1865752920 ZFHKHQIJSXQBMJ-UHFFFAOYSA-N 440.678 7.785 30 10 IKEE Cc1ccc(-c2nc(Nc3ccc(C#N)cc3)cc(N3CCO[C@@H](c4ccncc4)C3)n2)cc1 1868331082 XZCLQVGWWWYSMD-XMMPIXPASA-N 448.530 5.040 30 10 IKEE CC[C@@H]1CCCN1c1cc(Nc2cccc(C#N)c2)nc(-c2ccc(C(C)(C)C)cc2)n1 1868538629 RZWQUNITAFWCKH-HSZRJFAPSA-N 425.580 6.435 30 10 IKEE C=CCN(CC=C)c1cc(N2C[C@H](CC)Cc3cc(OC)ccc32)nc(-c2cccnc2)n1 1869366795 PJROKNXRAMFRFE-HXUWFJFHSA-N 441.579 5.446 30 10 IKEE C=CCOc1cn(CCCCC)c(CSc2nc3ccccc3n2CCC)cc1=O 1870245704 AWBCSLADYJWHKD-UHFFFAOYSA-N 425.598 5.655 30 10 IKEE CCCCCCCOc1cn(CCc2ccccc2)c(CSc2ccc(C)cc2)cc1=O 1870252191 HVGMZTFOBHHFGW-UHFFFAOYSA-N 449.660 7.041 30 10 IKEE CCN(CC)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCCCc1ccccc1 1870349208 FFIYUYLNQNUXPN-UHFFFAOYSA-N 443.591 5.164 30 10 IKEE CCCCCCCCCCn1cc(OCc2c(C)cccc2C)c(=O)cc1CN(C)C 1870489825 HWNCBHCWZUJQTK-UHFFFAOYSA-N 426.645 6.246 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2)c(CNc2ccc(OC)cc2C)cc1=O 1870833225 DIBDLUYTTRAUNI-UHFFFAOYSA-N 448.607 6.175 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OC)c(=O)cc1CNc1cccc(Cl)c1C 1870872744 VIVWJCNMGHAOFC-UHFFFAOYSA-N 448.991 5.335 30 10 IKEE O=C1/C(=C/c2ccccc2Cl)Oc2c1ccc1c2CN(CCCCc2ccccc2)CO1 1871354614 VWPBJFSAWBCAHQ-XYGWBWBKSA-N 445.946 6.131 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)cc1 1871371491 SMYHQHWVYIQWQU-MYYYXRDXSA-N 442.511 5.893 30 10 IKEE CCCOc1ccccc1/C=C/C(=O)Oc1ccc2c(c1)O/C(=C\c1ccccc1C)C2=O 1871376035 PZVLGZBBINDAMG-FTDKWWBHSA-N 440.495 6.019 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871381914 IZLQESJJIBMURD-XKZIYDEJSA-N 448.858 5.409 30 10 IKEE CCCOc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(CC)cc2)C3=O)cc1 1871388185 YNRQMBAZNMPCCX-XYGWBWBKSA-N 442.511 6.182 30 10 IKEE Cc1cc(C)c(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)o2)C3=O)c(C)c1 1871401904 BVTZWZNRQOOYHU-PAEMTNLTSA-N 445.515 5.844 30 10 IKEE Cc1cccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)c1C 1871413517 INHMCECNBVPHNQ-DNNAEVNTSA-N 445.490 5.773 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)c(C)c1 1871418649 FLTHISLEHWAUSP-FMCGGJTJSA-N 433.891 5.591 30 10 IKEE CCCC[C@@H](Oc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O)C(=O)O 1871423272 PMUGWHXZJIUHBS-HPKGMJOESA-N 431.282 5.088 30 10 IKEE COc1cccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4c(C)cccc4C)ccc3C2=O)c1 1871431844 OZGAOGJYIQLDIL-SMNNTEATSA-N 443.499 5.334 30 10 IKEE CCCCCCCCCCN=c1[nH]c(=NCCCCCCCCCC)[nH]c(=NC(C)C)[nH]1 1871740442 LLCZTBVNHVMUMO-UHFFFAOYSA-N 448.744 6.063 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1 1871889436 DYRCXUJYQNSMKS-JOCHJYFZSA-N 449.016 5.331 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(C)c(C)c1 1872412332 JJDCEFLBEIBTPA-DEOSSOPVSA-N 442.625 5.376 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)c(Cl)c3)n2)cc1 1872762047 BRUKWKUNRQYUOH-QGZVFWFLSA-N 429.372 6.950 30 10 IKEE COc1ccc(OC)c(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)c1 1872764905 ASRNSKZHONPNQC-MEQKGCOVSA-N 434.517 5.034 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-n4cccc4)cc3)n2)cc1 1872765575 RXHJSKSTSJRZRL-HSZRJFAPSA-N 425.557 6.433 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)CNC(=O)c3ccc(Cl)cc3Cl)n2)cc1 1872769712 AJFHPJCCTLQGTJ-MRXNPFEDSA-N 444.343 5.032 30 10 IKEE CCCOc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3cc(OC)ccc3OC)cs2)cc1 1872770992 JJAGAXUTRZZIQO-HXUWFJFHSA-N 436.533 5.035 30 10 IKEE CC(C)c1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 1872773644 TWSFFUTVDHLFNU-XAYULXIRSA-N 428.601 7.121 30 10 IKEE COc1cc(OC)cc(C(=O)[C@H](C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)c1 1872784644 WMODZVXAJWGMRF-KRWDZBQOSA-N 442.924 5.288 30 10 IKEE CCCN(CCC)CC(=O)[C@@H](C#N)c1nc(-c2ccc(Br)cc2)c(C)s1 1872799270 GBXMTMFZIJIIOA-QGZVFWFLSA-N 434.403 5.179 30 10 IKEE CCCCCCCCNC1=C(c2cc(F)cc(F)c2)C(=O)N([C@@H](CC)CCCCC)C1=O 1873112818 DOAPQOKLKXCLEQ-QFIPXVFZSA-N 448.598 6.354 30 10 IKEE CCCCCCCCNC1=C(c2c(C)cc(C)cc2C)C(=O)N(Cc2ccncc2)C1=O 1873121320 XLWWARRIWNAACZ-UHFFFAOYSA-N 433.596 5.237 30 10 IKEE C=CCNC1=C(c2ccc(Cl)cc2)C(=O)N(C2CCCCCCCCCCC2)C1=O 1873138365 NELRXWSTTQWYCW-UHFFFAOYSA-N 429.004 5.869 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCCCCCC)=C(c2cccs2)C1=O 1873155889 LIAIHINCGDCJQE-UHFFFAOYSA-N 446.701 6.919 30 10 IKEE CCCCCCCCCCNC(=O)c1cc2c(N3C[C@H](C)C[C@@H](C)C3)ncnc2n1C 1873568893 XZIFXTRPWMXBPW-WOJBJXKFSA-N 427.637 5.321 30 10 IKEE C=CCn1c(C(=O)Nc2cc(Cl)cc(Cl)c2)cc2c(NCCC(C)C)ncnc21 1873610946 FZXGOMRWOBGACC-UHFFFAOYSA-N 432.355 5.634 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1cccc(C)c1C)n2CCCC 1873621226 LNXFZEXOAPQKEU-UHFFFAOYSA-N 449.643 6.873 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(OC)cc2)n1/N=C/c1cccc(Cl)c1 1874291901 BKMWBGUJXJPVNV-FSJBWODESA-N 428.945 5.070 30 10 IKEE C=CCSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1ccc(OCCC)cc1 1874331541 RKTKZDPVJITUOU-NLRVBDNBSA-N 434.609 5.629 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2[C@@H](C)c2ccccc2)cc1 1874393305 JCUFDPPOXYCSMT-XTFCHBONSA-N 444.579 6.306 30 10 IKEE CN(C)c1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C2CC2)cc1 1874522686 GLFNSBWAOJFSNT-WYMPLXKRSA-N 429.952 5.189 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c1OCc1cccc2ccccc12 1874572114 WTQSCDYQQFKOLS-VHEBQXMUSA-N 448.562 7.202 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)cc1 1874595870 HLSIZYMELPGGRH-MKMNVTDBSA-N 447.487 5.867 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1 1874596617 UDTQYTKRJZMIDQ-NTUHNPAUSA-N 427.327 6.867 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Cl)c1OCc1ccccc1 1874608717 DBPNWTMGJVXXIP-OUKQBFOZSA-N 427.327 6.867 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)cc1 1874609143 ABWNDUSRJZLGSA-WLRTZDKTSA-N 435.907 5.571 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1 1874613669 HAZMUUFGKMKBTN-OBXYEHHASA-N 429.516 5.238 30 10 IKEE C=CCOc1ccc(/C=C/C(=O)c2cc(Cl)c(OC)cc2OC)cc1Br 1874631298 VFQVNFXTQXQTMT-FNORWQNLSA-N 437.717 5.581 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3Cl)cc2)c(OCC)c1 1874632477 ZFRRIIQTGNRPFH-LFIBNONCSA-N 436.935 6.613 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)c(OC)c1 1874632756 STIXVMJCKTUILE-XNTDXEJSSA-N 445.515 5.234 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1OC(=O)CCc1ccccc1 1874693816 XQHBWVNCJFANDI-LFIBNONCSA-N 440.539 6.008 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1OC(=O)c1ccc([N+](=O)[O-])cc1 1874703668 BEKONFSKFYVPDD-VZUCSPMQSA-N 447.443 5.036 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OC(=O)COc1c(C)cccc1C 1874703942 OSNOHZBVYLLBLV-XYOKQWHBSA-N 448.490 5.640 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccccc3Br)c2)cc1 1874710370 YPZWNBAJHIHZDT-XNTDXEJSSA-N 449.344 6.688 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc4cc(Cl)ccc4n3)c2)cc1C 1874714158 HAVXQFXHPMKSAA-NTUHNPAUSA-N 441.914 6.620 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc1OC(=O)C1CCCC1 1874714871 RTCNQSJKCWCQKY-CSKARUKUSA-N 428.912 5.657 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)Cc2cc(C)ccc2C)c1 1874717800 DBMQCZZWXKTORL-PKNBQFBNSA-N 434.919 6.010 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC(=O)C(C)C 1875082891 RYRNKGIJNIOEJP-SFQUDFHCSA-N 440.539 6.548 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(Cl)c1OC(=O)c1cccnc1 1875101929 IHCYDJKZSNKSOG-MDZDMXLPSA-N 437.879 5.258 30 10 IKEE O=C(CC12CC3CC(CC(C3)C1)C2)Oc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1 1875116885 XNUUPUQPZRLMJG-XCVCLJGOSA-N 445.515 6.003 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Br)c(OC(=O)C3CC3)c(OC)c2)cc1 1875130668 NFDLIUSODIPRFU-NYYWCZLTSA-N 445.309 5.068 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1F 1875152407 LZPDIVOFFLOPHC-XBXARRHUSA-N 434.507 5.852 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2Cl)cc1OC 1875158315 PPCPTELRKOWYIE-XCVCLJGOSA-N 440.854 5.612 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)cc3)cc2)c(OCC)c1 1875178142 VUGSUPUKDGGPIX-SFQUDFHCSA-N 444.527 5.837 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)c1cccs1 1875181596 NWHGGUYXZRZQQV-BQYQJAHWSA-N 440.948 6.451 30 10 IKEE C[C@H](C(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1)c1ccccc1 1875191674 YFYRZWPFAXUWLX-IDJPSDCMSA-N 425.311 6.599 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)CSc2ccccc2)cc1 1875192838 FULYTCDNKSNYAH-UKTHLTGXSA-N 438.932 5.942 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N(CC)CCO)n2CC(C)C 1875209188 FIGQIGCGHBQVKQ-UHFFFAOYSA-N 445.652 5.094 30 10 IKEE C=C1C[C@@H]1C[C@H](NCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875650360 GYNQNWONMXULSM-UWPQIUOOSA-N 443.587 5.822 30 10 IKEE C=CCC1([C@H](NCC)c2ccc(Br)c(F)c2)CN(C(=O)OC(C)(C)C)C1 1895074449 ZMHHFPJUSLGXPY-QGZVFWFLSA-N 427.358 5.052 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@H](C#N)N(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)cc1 1944076548 VENKZQDBQMDCRA-OALUTQOASA-N 431.533 5.014 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1csc(Cl)c1 1948779974 OUBBPRAIZXONBK-AWEZNQCLSA-N 427.751 6.170 30 10 IKEE CC[C@@H]1CC[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)CN1C(=O)OC(C)(C)C 1953238980 FTBYZVCFNCRUTL-NLFFAJNJSA-N 443.588 5.496 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]1[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1978209489 KLORVQYIAGDFMZ-VGOFRKELSA-N 435.952 5.373 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1991920114 UKLWVRHBZFVEBX-ROUUACIJSA-N 435.952 5.373 30 10 IKEE CC1(C)CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)[C@@H](OCc2ccccc2)C1 1998840031 NAIWTJDYSYOTMK-BKMJKUGQSA-N 426.601 6.224 30 10 IKEE C=CCCN(Cc1ccccc1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2013163363 OLTWIHVSKUMSID-UHFFFAOYSA-N 449.197 5.523 30 10 IKEE CC#CCCCC[C@@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 2019508506 JCYFHDZWQYXNET-BJKOFHAPSA-N 430.633 5.439 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)cc1 2031667995 VOPREMBGDNAKNO-FQEVSTJZSA-N 441.503 6.179 30 10 IKEE CCCCCCCCC[C@@H](NCCC)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2034431036 DODWEJVQIPHRRJ-JWQCQUIFSA-N 448.692 6.605 30 10 IKEE CCCN[C@@]1(C#N)CCC[C@@H](CN(CCN(C)Cc2ccccc2)Cc2ccccc2)C1 2034739748 PPWHRZFEIDBVJL-IZLXSDGUSA-N 432.656 5.073 30 10 IKEE C=C1CCC(C[C@H](C[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)NCCC)CC1 2035464152 YVROVDBGCSNWCF-RPBOFIJWSA-N 444.660 5.991 30 10 IKEE CN(c1ccccc1)c1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-] 2053611530 MJULQQBEXPUNPJ-UHFFFAOYSA-N 434.495 6.926 30 10 IKEE C=C1CC(CC(=O)[C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1 2071345989 MDMIUHDXJKVLKX-NDEPHWFRSA-N 428.528 5.803 30 10 IKEE O/N=C/c1c(C(F)(F)F)nn([C@@H](c2ccc(C3CC3)cc2)C2CC2)c1Br 2079088304 ZVXWYZMIKLEQER-RRDOOKONSA-N 428.252 5.349 30 10 IKEE COc1ccc([C@@H](n2nc(C(C)(C)C)c(C=NO)c2Br)C(C)(C)C)cc1O 2079979820 VLBRZQXQQMWGBF-QGZVFWFLSA-N 438.366 5.101 30 10 IKEE CCOc1ccc([C@H](n2nc(C(F)(F)F)c(C#N)c2Br)C2(C)CC2)cc1 2080107490 OOPAZECSURINLR-HNNXBMFYSA-N 428.252 5.324 30 10 IKEE C=CCN(C[C@@H](Cc1cccc(Br)c1C)NCCC)C(=O)OC(C)(C)C 2087429523 LLBPCHRFFLQVLM-GOSISDBHSA-N 425.411 5.091 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2c(C)sc(C)c2Br)c1 2092953264 NWBWBFLWUPINJM-INIZCTEOSA-N 435.387 6.442 30 10 IKEE CCCC#CC[C@H](NCCC)c1cc(I)ccc1Br 2138962830 ITZAFOZRKXROAV-INIZCTEOSA-N 434.159 5.288 30 10 IKEE CCCCCC#CC[C@H](NC)c1cc(I)ccc1Br 2139009966 YOCSXOXVKKDTOI-INIZCTEOSA-N 434.159 5.288 30 10 IKEE CCCc1nc(Br)c(Br)n1CCCCCCCCCS 2143941661 RSRNWBDQHNXBNN-UHFFFAOYSA-N 426.262 6.021 30 10 IKEE CC1(C)CC2(CC([C@@H](C#N)N(C(=O)OC(C)(C)C)c3ccccc3Br)C2)C1 2158843550 FIWPWQUPVMNVKD-GOSISDBHSA-N 433.390 6.299 30 10 IKEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNc2ccc(C#N)cc2Br)cc1 2162315910 BXFQLCCHFZBYSW-CQSZACIVSA-N 430.346 5.519 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H](CNc2ccc(C#N)c(Br)c2)C1 2162334593 RALAVWZOYWLADA-INIZCTEOSA-N 434.378 5.160 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(F)cc(CNc2cc(Br)c(C#N)cc2F)c1 2162383278 KPGQAZOEEQJTNB-UHFFFAOYSA-N 438.272 5.558 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCC(F)(F)CC1(C)C 2165012099 BXQAZYUFVQNUIQ-IBGZPJMESA-N 443.332 6.298 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)[C@H]1C[C@H]1c1ccccc1 2200299029 UWWQXXXZCPKGLG-SLFFLAALSA-N 427.342 5.886 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Cl)c(Cl)cc1Cl 2201286836 ACKYXFONOGNKPI-ROUUACIJSA-N 433.807 5.994 30 10 IKEE C=CCN(CC[C@@H](NCCC)c1cccc(OC)c1Br)C(=O)OC(C)(C)C 2207365500 NOTCYNFZNQQYSV-QGZVFWFLSA-N 441.410 5.312 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)OC(C)(C)C 2217330532 HPEACXAWAYFCPA-NEWJYFPISA-N 428.617 5.306 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Br)cc([C@H](O)C#Cc2cccc(Cl)c2)c1 2230997505 RYSFUFVCWQCIOK-GOSISDBHSA-N 436.733 5.535 30 10 IKEE CN[C@H](C#Cc1ccccc1Br)c1cccc(N(C)C(=O)OC(C)(C)C)c1 2235721919 JLQXLHYFGPPMOJ-HXUWFJFHSA-N 429.358 5.133 30 10 IKEE C=CCCCCCC[C@@H](O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237406758 HTGFMYMRNCHISO-VQTJNVASSA-N 440.422 5.772 30 10 IKEE C#CCCN(CCC)C(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2243925712 ZXZGFESXEUZIHT-AREMUKBSSA-N 446.591 5.202 30 10 IKEE CCCN(Cc1ccccc1)C(=O)c1cc(Cl)c(C)c(B2OC(C)(C)C(C)(C)O2)c1 2247839005 QNBRNKFVDWBOES-UHFFFAOYSA-N 427.781 5.000 30 10 IKEE Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)[C@H]1C[C@H](B2OC(C)(C)C(C)(C)O2)C1 2255621728 QMCYNQBOSNTVTF-WKILWMFISA-N 430.354 5.153 30 10 IKEE CC(C)(C)C#CC=CCC(=O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2268760561 GKJBUBLBHYLQSS-UHFFFAOYSA-N 438.567 7.023 30 10 IKEE C=C(C)CCCCC(=O)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2271839865 WAEARZWRKMXVRG-LJAQVGFWSA-N 444.571 6.584 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Br)ccc1[C@@H](O)C#Cc1ccccc1Cl 2277855413 AWGMPXVVASECCW-SFHVURJKSA-N 436.733 5.535 30 10 IKEE CCCCCCCC(=O)NN1C(=O)C(=Cc2cccc(Br)c2)SC1=S 2296879969 NTJKHOOIWJRPBH-UHFFFAOYSA-N 441.416 5.042 30 10 IKEE Cc1ccc([C@@H]2C(=C(O)c3ccc(C)o3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 2297056943 AYBPWPNXBJNANW-HXUWFJFHSA-N 448.475 5.272 30 10 IKEE O=C1Nc2ccccc2C1=C1SC(=Nc2ccc(F)cc2)N(c2ccc(F)cc2)C1=O 2297366959 XXXZJQNYFCICPR-UHFFFAOYSA-N 433.439 5.096 30 10 IKEE Cc1ccc(Cl)cc1-n1c(C)cc(C=C2SC(=Nc3ccc(F)cc3)NC2=O)c1C 2313557413 CJHYTTMHYQYONR-UHFFFAOYSA-N 439.943 6.087 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1ccc(OCC)c(OC)c1 2318573897 ABMXTDQVDIIVRJ-UHFFFAOYSA-N 438.597 5.429 30 10 IKEE N#Cc1nc([C@@H]2C[C@H]2c2ccccc2)oc1NN=Cc1ccc(OCc2ccccc2)cc1 2320837089 KEOARFBJLHBNLJ-BJKOFHAPSA-N 434.499 5.842 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2C2CC2)cc1OC 2320856539 LCUQLURDHOAFRU-UHFFFAOYSA-N 436.581 5.354 30 10 IKEE Cc1ccc(COc2ccccc2C=Nn2c(S)nnc2CCc2cccs2)cc1 2321988222 GSNDZKRGARLHHQ-UHFFFAOYSA-N 434.590 5.183 30 10 IKEE CCOCCCN1COc2ccc3c(c2C1)OC(=Cc1ccc(Cl)cc1Cl)C3=O 2322145605 AVINTBIBOBRFRN-UHFFFAOYSA-N 434.319 5.188 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCc2cc(C)ccc2C)cc1 2322455535 ZVCUDTARCHUKNW-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE CCN(CC)C(=O)COc1c(C=CC(=O)c2ccc(Cl)c(Cl)c2)cccc1OC 2322585978 PTYIJCZHSXZOKQ-UHFFFAOYSA-N 436.335 5.145 30 10 IKEE Cc1cc(OC(=O)c2cccs2)cc2c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O2 2322667714 DOJUPOBNTSWBBW-UHFFFAOYSA-N 431.296 6.199 30 10 IKEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1ccc(F)c(F)c1)NC1CCCCC1 2322781782 UGPNJHVJMWJPMY-UHFFFAOYSA-N 433.882 5.342 30 10 IKEE Cc1c(OC(=O)Cc2ccc(Cl)cc2)ccc2c1OC(=CC=Cc1ccccc1)C2=O 2322900979 QXHQAAHRZBEARZ-UHFFFAOYSA-N 430.887 5.969 30 10 IKEE CCCOc1c(OC)ccc(C=CC(=O)c2ccc3c(c2)CCCC3)c1Br 2323053027 BZMMFTAFCSDANF-UHFFFAOYSA-N 429.354 6.021 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3F)c(Br)c2)cc1 2323466133 OWICJZUPHZFJHO-UHFFFAOYSA-N 439.324 6.626 30 10 IKEE COc1c(Br)cc(C=CC(=O)c2ccccc2Cl)cc1Br 2323603189 XKWQMAYMQJXBLD-UHFFFAOYSA-N 430.523 5.770 30 10 IKEE CCN(Cc1ccccc1)c1ccc(C=NNc2nc(-c3cccc(OC)c3)cs2)cc1 2323852021 HJYIZKXQNWEVGI-UHFFFAOYSA-N 442.588 6.291 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc(C=CC(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])c1 2324186207 NJFVHJNEARGIRK-UHFFFAOYSA-N 448.450 5.264 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1OCc1cc(C)ccc1C 2324193063 NIROWQALMWHWRQ-UHFFFAOYSA-N 449.478 6.225 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OCc1ccccc1F 2324234590 VBSHPQPTOFMVRL-UHFFFAOYSA-N 448.534 6.616 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(C=CC(=O)c3cc(C(C)(C)C)ccc3C)cc2)c1 2324571057 UHPDKTCEARWJLF-UHFFFAOYSA-N 441.571 6.515 30 10 IKEE CCCOC(=O)[C@@H](CC)Oc1cc(C)c2c(c1)OC(=Cc1cn(CC)c3ccccc13)C2=O 2325079314 ACEMLSAYPGEDLJ-JOCHJYFZSA-N 447.531 5.696 30 10 IKEE CCCCCOc1ccc(C=C(C(=O)Nc2ccccc2C#N)c2ccccc2)cc1OC 2325249700 BLISXCKBSJKEBV-UHFFFAOYSA-N 440.543 6.315 30 10 IKEE COc1ccc(OC)c(C=C2Oc3c(ccc(OCc4ccccc4C#N)c3C)C2=O)c1 2325357708 UOPONCNQIQJVEM-UHFFFAOYSA-N 427.456 5.079 30 10 IKEE CCOC(=O)c1ccc(COc2ccc3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)o1 2325394815 QJHXCMIORNHUFI-UHFFFAOYSA-N 432.472 5.775 30 10 IKEE COc1ccccc1C=Nn1c(CCc2ccccc2)nnc1SCc1ccccc1 2325448374 HGQPEJMOTOTAJG-UHFFFAOYSA-N 428.561 5.246 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(OCCC)cc1 2325525915 SHPJWRHOLUCGKU-UHFFFAOYSA-N 443.016 6.237 30 10 IKEE COc1cccc(NC(=O)COc2cc(C)c3c(c2)OC(=CC=Cc2ccccc2)C3=O)c1 2325578429 VNSAABBHWQOXNK-UHFFFAOYSA-N 441.483 5.194 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(CC)cc3)c2)cc1 2325710755 SJUPOCULLFKGND-UHFFFAOYSA-N 442.555 6.716 30 10 IKEE Cc1ccc2oc(=O)cc(COc3cc(C)c4c(c3)OC(=Cc3ccc(C)o3)C4=O)c2c1 2325741844 CSNYBOKTOQLJMK-UHFFFAOYSA-N 428.440 5.506 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1OC(=O)c1ccccc1C 2325765215 GSSCZJWBDDKYDJ-UHFFFAOYSA-N 442.555 6.725 30 10 IKEE CSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1cc(Cl)ccc1O 2325907094 DNJOMZLWMFDUAD-UHFFFAOYSA-N 443.743 5.127 30 10 IKEE CCOc1ccc(C=Nn2c(COc3ccc(Cl)cc3Cl)nnc2SC)cc1 2325907112 JNPCBPPBISLMOZ-UHFFFAOYSA-N 437.352 5.167 30 10 IKEE CCCSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1cccc(Cl)c1 2326341677 CYPRAWSPSQPUEA-UHFFFAOYSA-N 443.016 5.890 30 10 IKEE CCCOc1ccc(C=Nn2c(C)nnc2SCc2cc(C)cc(C)c2)cc1[N+](=O)[O-] 2326399177 WKOVOEBJVVUTKX-UHFFFAOYSA-N 439.541 5.075 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1cccc(C(F)(F)F)c1 2326603315 OJSDXNHRWANISO-UHFFFAOYSA-N 446.542 6.431 30 10 IKEE Cc1[nH]c2ccccc2c1C=Nn1c(C)nnc1SCc1ccc(Br)cc1 2326618172 VHMUCEOKGMKGNM-UHFFFAOYSA-N 440.370 5.313 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1ccc(OC)c(OCC)c1 2326681406 DXEJAEJZBZALDK-UHFFFAOYSA-N 449.580 5.074 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccccc1Cl 2326705816 ULXHSHIYNYHRPJ-UHFFFAOYSA-N 425.772 5.975 30 10 IKEE Cc1ccc(OCCCc2nnc(SCc3ccccc3C)n2N=Cc2ccco2)cc1 2327156645 YPLAVOGGTKZQML-UHFFFAOYSA-N 446.576 5.674 30 10 IKEE CCCCC1CCC(c2nnc(SCC(N)=O)n2N=Cc2ccc(C(C)C)cc2)CC1 2328145309 OLTLEJFJSSYJQF-UHFFFAOYSA-N 441.645 5.325 30 10 IKEE C=CCSc1nnc(CCc2ccc(OC)cc2)n1N=Cc1c(Cl)cccc1Cl 2328579798 OASMFVUDNOLZMF-UHFFFAOYSA-N 447.391 5.539 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(Cl)cc3)n2N=Cc2ccccc2)cc1 2329068777 YJZWTPJQMMCMGJ-UHFFFAOYSA-N 432.980 6.005 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@@H](NC(=O)C=Cc3cccc(F)c3)C2)c1 2329377588 ZNKHUMXKKWUQSZ-XMMPIXPASA-N 449.570 5.098 30 10 IKEE Clc1cccc(CSc2nnc(CCc3cccs3)n2N=Cc2ccncc2)c1 2329687342 VAEHSLFDIDXAKP-UHFFFAOYSA-N 439.997 5.348 30 10 IKEE CC(C)c1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2)cc1 2329841384 RLTOFMWUXPQEPK-UHFFFAOYSA-N 444.579 6.306 30 10 IKEE Cc1ccc(C)c(CSc2nnc(COc3ccccc3)n2N=Cc2cccc(O)c2)c1 2329919004 WAJQCSVECOWNQQ-UHFFFAOYSA-N 444.560 5.354 30 10 IKEE CCSc1nnc(Cc2cccs2)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2330367062 PSAAIHICUFYKKH-UHFFFAOYSA-N 448.573 5.144 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3C)c(OC)c2)cc1C 2330881125 YHNFQPQEVPTIGD-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccccc3C)nnc2C2CCCC2)cc1OC 2331029915 ORMVHAPUXGVQED-UHFFFAOYSA-N 436.581 5.436 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)c1ccc(OC)cc1 2331231418 XNOXMPMWUXCFDB-UHFFFAOYSA-N 430.500 5.826 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)COc1cc(F)ccc1F 2331293742 XGUHHUPPWRQNND-UHFFFAOYSA-N 438.426 5.162 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Br)c1OC(=O)C1CC1 2331327530 QIEJDQAKUSOIGK-UHFFFAOYSA-N 443.337 5.676 30 10 IKEE CCCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OC 2331502920 KOAUQISFORYGFS-UHFFFAOYSA-N 445.353 6.183 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)c1[nH]c2ccc(C)cc2c1C 2331541453 MRSRLZCVWUYZSF-UHFFFAOYSA-N 443.474 6.048 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C(C)C)c1 2331708608 ZKQHHFUCVDJFHC-UHFFFAOYSA-N 449.407 6.282 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2ccco2)c(Cl)c1 2331755429 YILGMMZZYBFWGK-UHFFFAOYSA-N 431.271 6.019 30 10 IKEE CC1(C)OB(C=Cc2ccc(N3CC[C@]3(C)CCOCc3ccccc3)nc2)OC1(C)C 2339588014 BMALSBJBPWDWHE-AREMUKBSSA-N 434.389 5.302 30 10 IKEE CCN[C@@H](C#C[C@H]1CC1(F)F)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2341007053 UFKDIFDJASTHDD-ZFWWWQNUSA-N 429.305 5.105 30 10 IKEE O=CC1(Cc2ccc(I)c(Br)c2)CCC2(CC1)CC2 2349919793 BMWCJJZHCAXHAW-UHFFFAOYSA-N 433.127 5.136 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)[C@@H]1C[C@H]1c1ccccc1 2357746360 UWWQXXXZCPKGLG-ZCNNSNEGSA-N 427.342 5.886 30 10 IKEE CCN[C@H](C#CC1(OC)CCC1)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2362782300 VDTJPSJPYCEAGS-GOSISDBHSA-N 437.378 5.019 30 10 IKEE COc1ccc(/C=C2\S/C(=N/Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1OC 8625069 LVNLWCCVSQOFEF-AGGBOBLOSA-N 444.556 5.377 30 10 IKEE CCN1/C(=C2\S/C(=N\C3CCCCC3)N(c3ccc(C)cc3)C2=O)Sc2ccccc21 16157549 SYXXEDPXRNHKLT-ATEBTNOTSA-N 449.645 6.565 30 10 IKEE O=C1CCCC2=C1[C@@H](c1cccc3ccccc13)n1nc(SCc3ccccc3)nc1N2 17102625 WCWWSBMQHOOOKZ-XMMPIXPASA-N 438.556 5.746 30 10 IKEE O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccc(Cl)cc1)n1nc(C(F)(F)F)nc1N2 19642180 SYPRGDQBLJQHEV-AUUYWEPGSA-N 444.844 5.366 30 10 IKEE O=[N+]([O-])c1ccc(CSc2n[nH]c(N/N=C/c3cccc(Oc4ccccc4)c3)n2)cc1 21038295 YHDOENIVKADUFX-OEAKJJBVSA-N 446.492 5.244 30 10 IKEE Cc1nn(C)c(C)c1CN/C(=N\C(=O)c1ccc(Cl)cc1)Nc1ccc(C(C)C)cc1 32972267 NEZHXVYONBKOMK-UHFFFAOYSA-N 437.975 5.212 30 10 IKEE COc1ccc(C(=O)Oc2cccc(/C=C\C(=O)c3ccc(-c4ccccc4)cc3)c2)cc1 34954568 PJCFGXGFHQBMAP-GRSHGNNSSA-N 434.491 6.478 30 10 IKEE C=CCN1C(=O)/C(=C/c2c[nH]nc2-c2ccccc2)S/C1=N/c1ccc(OCC)cc1 35485106 HTQGORZHYXPDFP-SYUAUQEVSA-N 430.533 5.265 30 10 IKEE COc1cccc(CO/N=C(/C)c2cc(-c3ccc(F)cc3)n(-c3cccc(C)c3)c2C)c1 35843458 IICFHLNRQFRONS-COEJQBHMSA-N 442.534 6.850 30 10 IKEE Cc1occc1C(=O)Nc1ccc(C(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1 39850902 XIMRKYCPASMZFT-ZRDIBKRKSA-N 431.875 6.650 30 10 IKEE C=CCOc1cccc([C@H]2C(C(=O)c3cccc(OCCC)c3)=C(O)C(=O)N2CCCC)c1 40101521 WNVJVXYJHVRDKG-DEOSSOPVSA-N 449.547 5.419 30 10 IKEE Cc1cc(C)cc(C/N=C2/NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)S2)c1 59432569 SAUSAIAFHZDIOQ-CIAFOILYSA-N 433.489 5.232 30 10 IKEE O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCC/N=C\c1cc(Br)ccc1O 101637504 RHYWPDNDTWTBMW-YVNNLAQVSA-N 446.223 5.003 30 10 IKEE CCCCCCCCCCCCn1c([C@H](C)NC(=O)C2CCCCC2)nc2ccccc21 102117355 ZLKJMUFQGDULTQ-QHCPKHFHSA-N 439.688 7.715 30 10 IKEE CCCCCCCCCCCCn1c(CCCNC(=O)[C@@H]2CCCO2)nc2ccccc21 102147505 SYWCKCUJAQDVJH-VWLOTQADSA-N 441.660 6.185 30 10 IKEE CCCCCCCCCCCn1c(CNC(=O)c2ccc(Cl)cc2)nc2ccccc21 102220620 IUWJBAOUFATBCR-UHFFFAOYSA-N 440.031 7.151 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\Nc2nc3ccccc3s2)cc1Cl 169890330 XLWFDJNJKWPMPM-UQQQWYQISA-N 430.017 7.525 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(C)c(C)c2)=C(O)C(=O)N1c1ccc(C)cc1 169944601 MSZYLTFLYSFDTM-XMMPIXPASA-N 427.500 5.403 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2OC)cc1 169944776 XATCATHAZKHBDQ-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2cccs2)cc1 169987865 JNZCZLVIUALYBJ-FQEVSTJZSA-N 441.455 5.208 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2ccccn2)cc1 169994414 VPKVUPFRTLCZOV-QFIPXVFZSA-N 432.907 5.389 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccnc1 170006232 NVISPENYTIZRFB-FQEVSTJZSA-N 439.298 5.480 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2cccnc2)cc1C 170013133 MYDDZJMAQGAFPE-NRFANRHFSA-N 441.512 5.091 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccc(C)cc2)c1 170036810 FTZHAXMHMVJLRK-RUZDIDTESA-N 441.527 5.793 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@@H]1c1ccccc1 170052453 FEDHYANIBRFCJE-QHCPKHFHSA-N 445.902 5.366 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1 170062858 VSURSFWIRALICM-HXUWFJFHSA-N 425.818 5.401 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(C(C)C)cc2)c1 170066547 UYNFAGXDJPHHRY-XUZZJYLKSA-N 433.548 5.184 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccccc2C)c1 170086912 QLJKQUTUVAHYKI-AREMUKBSSA-N 441.527 5.496 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@@H]2c2ccco2)cc1 170090846 FDHJIPWQRPSRAZ-HSZRJFAPSA-N 445.515 5.759 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccco2)c1 170096040 XCMVLKSEFDKBLN-XMMPIXPASA-N 440.499 5.199 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccc(O)cc2)cc1Cl 170131993 GKDYIIZWOCEIMX-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C(C)C)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1C 170153624 ODMUCWTWRQJULK-UHFFFAOYSA-N 435.527 5.695 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1cccs1 170159048 TYTSFUMGKJFWBP-JOCHJYFZSA-N 447.556 5.837 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccncc1)c1ccc2c(c1)CCCC2 170203694 SHHWWWFYOPUDLC-QHCPKHFHSA-N 444.918 5.397 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccccc1)c1ccc2c(c1)CCCO2 170226646 YUHXWKCESASJCS-HSZRJFAPSA-N 445.902 5.448 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccccc1)c1ccc2ccccc2c1 170226938 DWCZPZMYFJHJLM-XMMPIXPASA-N 439.898 6.276 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccccc2)c(C)c1 170228081 ZJAYTCGISDKWRR-AREMUKBSSA-N 437.539 5.965 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccc2)ccc1OC(C)C 170228897 BHLAGKOOTKUAQK-RUZDIDTESA-N 441.527 5.874 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCCC)[C@@H]2c2ccccc2)cc1 170233057 GMJUFULZQDQVET-XMMPIXPASA-N 435.564 6.024 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1F 170249007 UCGDGFDHBCHCHR-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2c(C)[nH]c3ccccc23)c1 170312139 IXYPHBOOIHKCLG-QHCPKHFHSA-N 432.520 5.253 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2sccc2C)cc1Cl 170319606 CVXFWLRMCNSSFP-SFHVURJKSA-N 431.941 5.239 30 10 IKEE Cc1[nH]c2ccccc2c1[C@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1cccc(Cl)c1 170404777 XSGAUURJYYCFGE-QHCPKHFHSA-N 442.902 5.913 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)C(C)C)[C@@H]2c2cccc(Oc3ccccc3)c2)c1 170456152 PKGZCMLNDFKDKX-DEOSSOPVSA-N 427.500 5.912 30 10 IKEE COc1cc(/C=C/C(=O)Nc2oc(C)c(C)c2C#N)ccc1OCc1ccc(Cl)cc1 170528070 DXZHSHXAVBUTEF-YRNVUSSQSA-N 436.895 5.661 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2 226897628 XTSJLIXIXIFJGB-RRQZXNHTSA-N 430.419 8.169 30 10 IKEE Clc1ccc(C=Nc2ccc3oc(-c4ccccc4Br)nc3c2)cc1Cl 252601415 FAGKMJJHPRBFMV-UHFFFAOYSA-N 446.131 7.315 30 10 IKEE Cc1ccc(N=NC(=NNc2nc(-c3ccccc3)cc(-c3ccccc3)n2)C(C)C)cc1 252620724 MKOYMYUJFTUVRX-UHFFFAOYSA-N 434.547 7.284 30 10 IKEE COc1ccc2nc(/C=C/c3ccccc3)cc(NN=Cc3c(O)ccc4ccccc34)c2c1 254560656 ZSJJEMZWZZGXEN-BRMPNOSESA-N 445.522 6.719 30 10 IKEE CCCOc1ccc([C@@H]2C(c3ccc(OC)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526485714 HKLRVZOVWNDVJU-RUZDIDTESA-N 440.499 5.413 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccccc2[N+](=O)[O-])cc1 526804976 BWAAOFNAINCTMW-XYGWBWBKSA-N 443.532 5.260 30 10 IKEE CCCCCOc1ccc(/C=N\n2cnnc2SCc2cc(C)cc(C)c2)cc1OC 526808725 PHRWHIULDRWBCH-YSMPRRRNSA-N 438.597 5.647 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1cccc(OC(C)C)c1 526823068 DIZYFPQDFWAXSF-KSEXSDGBSA-N 435.380 5.855 30 10 IKEE CCc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2cccc3ccccc23)cc1 586241984 HCUCOXPHQAOCFW-UHFFFAOYSA-N 426.541 5.669 30 10 IKEE C#CCCCCC[C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 686705275 ZENAJUGOWXJZAS-OEMFJLHTSA-N 430.633 5.437 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCC[C@H](C(F)(F)F)C1 698455581 KYSMOQSAGQNSPR-UGSOOPFHSA-N 447.295 6.205 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2cccc(F)c2Br)c1 698479561 WVZTYANWMPWJIQ-KRWDZBQOSA-N 435.293 5.603 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)CC1 704052055 VKAYCLGXNJWHJR-DEOSSOPVSA-N 435.609 5.630 30 10 IKEE O=C1N=C(NN=Cc2ccccc2)S/C1=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1 1772724461 VREQQQYKZOCYHW-GYUSUAFQSA-N 441.434 5.559 30 10 IKEE CCOc1ccc(/C=C2\SC(=Nc3ccncc3Cl)N(C3CCCCC3)C2=O)cc1 1772734411 DDCZUJIDBWGIJF-RNJGGXIZSA-N 441.984 6.070 30 10 IKEE Cc1c(C(=O)NC2CCCCC2)oc2c1C(=NNc1cccc(C(F)(F)F)c1)CCC2 1772750807 MZIJMQZYIMYYTA-UHFFFAOYSA-N 433.474 5.822 30 10 IKEE COCCCN(C(=O)c1ccc(C(C)C)cc1)[C@H](C#N)c1cccc(Br)c1 1857958317 JOVJMLQWWYKWKS-OAQYLSRUSA-N 429.358 5.316 30 10 IKEE COc1ccccc1OCCC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N 1859650621 ZSSQKMPHAQNGOE-UHFFFAOYSA-N 438.483 5.901 30 10 IKEE CCOC(=O)c1sc(NC(=O)c2cccc(-c3nc(C)c(C)s3)c2)c(C#N)c1C 1859735850 ADVAGSMMPLIVEP-UHFFFAOYSA-N 425.535 5.098 30 10 IKEE CCCCCCCCNC(=O)[C@@H](NC(=O)Cc1ccc(OCCC)c(C)c1)[C@H](C)CC 1860988763 WVEKBVHIKYFDKQ-NLFFAJNJSA-N 432.649 5.334 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc2cc[nH]c2c1 1862380663 IPBKMTPMPIEWAX-MPBGBICISA-N 443.330 5.852 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(Cl)cc1 1862417079 NTCNNNOQRIOEQC-HXUWFJFHSA-N 433.882 5.777 30 10 IKEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccccc2)cc1 1862441892 NOYSWOROIQFNGJ-QMHKHESXSA-N 447.918 5.688 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862453097 RNXMAAYUDUIIJE-ZMZPIMSZSA-N 449.290 5.278 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc(OC)c1 1862474763 ULGOMTCNRIJECV-ZJSXRUAMSA-N 435.564 5.941 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2ccc(Cl)cc2)cc1 1862515888 GJPLWVUGXDPZEJ-VFNWGFHPSA-N 427.928 5.506 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1cccc(O)c1 1862535059 ZKHVZVLZUKSJMU-XUZZJYLKSA-N 435.564 5.892 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2ccc(C(C)C)cc2)c1 1862561044 PDFZVYZQEJWJOS-RUZDIDTESA-N 440.543 5.479 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862585474 XFPGBEZCNHPGRP-IBGZPJMESA-N 432.347 5.889 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(OC(C)C)c(OC)c1 1862658465 KPEYOFQPMCTEGY-XMMPIXPASA-N 445.515 5.234 30 10 IKEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(C)cc1 1862659663 CAXCWCRJNTUPDM-VWLOTQADSA-N 448.607 5.429 30 10 IKEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(C)cc2)cc1 1862674332 MBAPIDIVJXVJDG-MZNJEOGPSA-N 445.490 5.482 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc3ccccc23)c1 1862705307 VBYOKHNPPNGCNY-VWLOTQADSA-N 441.527 5.759 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCCCO)[C@@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1 1862721846 JYQKTQPNUQSEIS-RUZDIDTESA-N 441.527 5.095 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(Cl)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1C 1862879678 AGUKOECLDNQFGS-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 1862888113 SKWVBWUHTMFCGR-UHFFFAOYSA-N 447.416 5.282 30 10 IKEE N#Cc1ccc(NC2=C(c3cccc4ccccc34)C(=O)N(C3CCCCCC3)C2=O)cc1 1863224781 PLLDUFNYBWUYNK-UHFFFAOYSA-N 435.527 5.626 30 10 IKEE CC(C)[C@@H]1c2ccccc2CCN1c1cc(Nc2ccc(C#N)cc2)nc(C(C)(C)C)n1 1868356237 WBZHEVYMMIPEGI-RUZDIDTESA-N 425.580 6.149 30 10 IKEE CCCCCCCCCCn1cc(C(=O)NCCc2c[nH]c3ccccc23)c(O)cc1=O 1870116237 XWFOURSWSZMCIL-UHFFFAOYSA-N 437.584 5.148 30 10 IKEE C=CCn1cc(OCC(=O)Nc2c(C)cc(C)cc2C)c(=O)cc1CSC(C)(C)C 1870212344 URRUCEASBSOMLH-UHFFFAOYSA-N 428.598 5.009 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)OCCC)c(=O)cc1CSC(C)C 1870228114 OEXLDOFJFQJTHV-UHFFFAOYSA-N 439.662 5.963 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc(Cl)c2)cn1CCc1ccccc1 1870406414 QLCWKAFJDACAMU-UHFFFAOYSA-N 448.994 5.497 30 10 IKEE CCCCCCCCCCn1cc(OCC)c(=O)cc1CNc1cccc(N(C)C)c1 1870785653 VVUVLSVIFDWMKM-UHFFFAOYSA-N 427.633 6.066 30 10 IKEE CCCCCCCOc1cn(CCCCCO)c(CNc2ccc(N(C)C)cc2)cc1=O 1870837905 DQITVIUMCQFJCC-UHFFFAOYSA-N 443.632 5.038 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)OCC)c(=O)cc1CNc1ccccc1 1871146789 APLFRYYNFBHTNH-UHFFFAOYSA-N 442.600 5.543 30 10 IKEE COc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN([C@H]3CCCC[C@@H]3C)C4)C2=O)cc1OC 1871355673 GDWZXYZRAFXVGS-QQLRHYFPSA-N 449.547 5.359 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4cccc(Br)c4)ccc3C2=O)o1 1871364840 VXYIQCWRWSBKCH-ODLFYWEKSA-N 425.234 5.186 30 10 IKEE CCOc1ccc(CC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871375529 QHBWRUPPLOBAFP-QRVIBDJDSA-N 448.902 5.811 30 10 IKEE Cc1cccc(OCCCCOc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)c1 1871403769 YXDSDSVNLFAKOZ-ZBROJHHNSA-N 426.512 6.405 30 10 IKEE COc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(C)cc1)C2=O 1871411945 MUPBSRZAMJVDTF-PDESAOGPSA-N 429.472 5.026 30 10 IKEE CC(=O)c1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871422496 NJJDCEXZSSVOIG-OYKKKHCWSA-N 441.483 5.140 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1Cl 1871456426 DOZWAHSWTJKASS-ABVWVXPPSA-N 445.902 5.838 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4F)cc(C)c3C2=O)cc1 1871459781 CRMHTNOBJJFZKF-QRVIBDJDSA-N 447.462 5.167 30 10 IKEE CCCCCCCCN=c1nc(N2CCC[C@H](C)C2)[nH]c(=Nc2ccc(C)c(Cl)c2)[nH]1 1871490705 RRUPLIWWYHBPCX-SFHVURJKSA-N 445.055 5.430 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccccc1CC)[C@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872495502 QJXVUESNTRVGAD-NTKDMRAZSA-N 442.625 5.096 30 10 IKEE COc1ccc(-c2nc3ccc(C(=O)Nc4ccccc4C#N)cc3[nH]2)cc1Br 1872735356 PWBMOEDRMISPIQ-UHFFFAOYSA-N 447.292 5.125 30 10 IKEE N#C[C@@H](C(=O)C(c1ccccc1)c1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872763284 IODPFMARMZDAOI-NRFANRHFSA-N 439.496 5.727 30 10 IKEE COc1ccc(C)cc1-c1csc([C@H](C#N)C(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)n1 1872770811 FTLPYMHDKGRRTR-DYESRHJHSA-N 434.561 5.894 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1F 1872775664 WUOPGQVPBGTZAC-LBPRGKRZSA-N 431.832 5.009 30 10 IKEE CC(C)c1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccccc3C(C)C)n2)cc1 1872776737 WGDKMIUHSLMYOK-PGRDOPGGSA-N 432.589 6.701 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)Cc2ccc(OC(C)C)cc2)n1 1872786013 YVKWTOIUGAEBBT-QHCPKHFHSA-N 446.616 6.622 30 10 IKEE N#C[C@H](C(=O)/C=C/c1ccc(Cl)cc1Cl)c1nc(-c2ccc(Cl)s2)cs1 1872789286 DFPCAPGGEGNXIE-FXMSTWTQSA-N 439.776 6.721 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC2CCCCC2)=C(c2ccccc2OC)C1=O 1873151949 MOZOJINYHSAIEQ-UHFFFAOYSA-N 440.628 5.838 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C)c(C)c2)=C(c2cccc(OC)c2)C1=O 1873218226 BRXUBPSAEBSVJA-UHFFFAOYSA-N 434.580 5.865 30 10 IKEE COc1cc(/C=N/n2c(S)nnc2-c2cccs2)ccc1OCc1ccc(C)cc1 1873503741 SFOZMEIHSBITCW-YDZHTSKRSA-N 436.562 5.074 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(F)c(Cl)c2)cc2c(NCc3ccccc3C)ncnc21 1873618504 COKBFOZSEIFYPY-UHFFFAOYSA-N 449.917 5.583 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccc(F)cc1F 1874213902 KVBPZSHZDKGYLB-AFUMVMLFSA-N 448.926 5.382 30 10 IKEE C=CCSc1nnc(COc2ccccc2OCC)n1/N=C/c1cccc(Cl)c1 1874243200 SEKMMDCRRNBAES-OEAKJJBVSA-N 428.945 5.070 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1ccccc1OCCC 1874287599 NIRNCCSJVUHNFN-LGUFXXKBSA-N 440.657 6.691 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3F)n2/N=C/c2ccccc2C)cc1 1874349526 QFNRCYPOJHZKHE-JVWAILMASA-N 446.551 5.500 30 10 IKEE COc1ccc(Cc2nnc(SCc3cccc(C)c3)n2/N=C/c2ccccc2O)cc1 1874350711 ZTHLCGOBKXLJJW-WGOQTCKBSA-N 444.560 5.066 30 10 IKEE Cc1cccc(/C=N/n2c(COCc3ccccc3)nnc2SCc2cccc(C)c2)c1 1874353836 DAPJLVUBTFQPBH-JVWAILMASA-N 442.588 5.786 30 10 IKEE Fc1ccccc1/C=N/n1c(Cc2ccccc2F)nnc1SCc1ccccc1F 1874375533 AZDWXYVSOYCTMA-MZJWZYIUSA-N 438.478 5.461 30 10 IKEE Cc1ccc(CSc2nnc([C@H](C)c3ccccc3)n2/N=C/c2cccc(O)c2)cc1 1874392203 GSBPURGHWNFABK-DZTFFZQKSA-N 428.561 5.618 30 10 IKEE Cc1cccc(CSc2nnc([C@H](C)c3ccccc3)n2/N=C/c2ccccc2F)c1 1874393336 JQLQXVVWZXZXLE-BWJYWGHISA-N 430.552 6.052 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCc3ccccc3)nnc2[C@H](C)c2ccccc2)c1 1874395612 QTIHAKRZQSJGIR-DZTFFZQKSA-N 428.561 5.618 30 10 IKEE Fc1ccccc1CSc1nnc(Cc2ccccc2)n1/N=C/c1ccc(Cl)cc1 1874416984 RXJRRVJEKGITHO-CVKSISIWSA-N 436.943 5.836 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(CC(C)(C)C)n2/N=C/c2cccs2)c(C)c1 1874441237 OGNVPVPAGQLLSQ-YDZHTSKRSA-N 441.626 5.158 30 10 IKEE Cc1cccc(CSc2nnc(C3CCCC3)n2/N=C/c2c(Cl)cccc2Cl)c1 1874454192 FEAHZNWSXPWSRI-DHRITJCHSA-N 445.419 6.725 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccco3)n2/N=C/c2ccccc2)cc1Cl 1874468773 XARCIMSWMHCSAK-FSJBWODESA-N 429.332 6.019 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2C(C)(C)C)cc1 1874484436 WDWYJJLQDPFDEX-WGOQTCKBSA-N 436.625 6.156 30 10 IKEE Clc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2C2CCC2)c(Cl)c1 1874495705 ADCOOKSWDFIINF-ZVHZXABRSA-N 431.392 6.069 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1/N=C/c1ccc(C(C)C)cc1 1874505283 UQVUCYNJNGPKBC-CVKSISIWSA-N 449.624 5.584 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(O)c(OCC)c1 1874508796 VSBLJZDTHGBEHN-WGOQTCKBSA-N 446.576 5.663 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C)n2/N=C/c2ccc(C(C)(C)C)cc2)cc1C 1874528590 QZRRBGQJWKTIBE-AFUMVMLFSA-N 435.597 5.114 30 10 IKEE CCCCOc1ccc(/C=N/n2cnnc2SCc2cc(C)ccc2C)cc1OCC 1874538602 NKJBBPLXRBZYMI-CVKSISIWSA-N 438.597 5.647 30 10 IKEE COc1cccc(/C=N/n2c(S)nnc2CC2CCCCC2)c1OCc1ccccc1 1874560509 AGFFAXCPVHXKRQ-PCLIKHOPSA-N 436.581 5.159 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccc(C(=O)OC)o2)cc1 1874578057 SWRUSQMMJDXYPF-IZZDOVSWSA-N 440.879 5.593 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)c(C)c1C 1874586342 JKBILWDGPYOGHN-RIYZIHGNSA-N 433.479 5.365 30 10 IKEE COC(=O)c1ccc(COc2cccc(/C=C/C(=O)c3cccc(Br)c3)c2)o1 1874594788 COVIMUGEYIORLF-CSKARUKUSA-N 441.277 5.304 30 10 IKEE O=C(COc1cccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1)Nc1ccc(F)cc1 1874600951 LEOPOBDAEWNHKA-NYYWCZLTSA-N 444.289 6.046 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCc3cc(C)ccc3C)c(OCC)c2)cc1 1874607603 VYUSXWNJAHYLIG-GHRIWEEISA-N 442.599 7.520 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OCc3cccc(C)c3)c(OC)c2)cc1 1874613900 SLJZQAHVYKHZNJ-MDWZMJQESA-N 436.935 6.531 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)c1OCc1cccc(Cl)c1 1874615274 PCISYQUIRIDPBB-CSKARUKUSA-N 441.354 7.094 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc(Br)c1OCC 1874639233 PETQLTPTPPUVRF-SOFGYWHQSA-N 439.733 5.805 30 10 IKEE O=C(CCCOc1ccccc1)Oc1cccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c1 1874693780 VVFFCZKOABEONT-OBGWFSINSA-N 440.539 6.226 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccccc3-c3ccccc3)c2)cc1 1874694854 XXVOYDJAFJZPCJ-LVZFUZTISA-N 432.519 7.031 30 10 IKEE COc1cccc(C(=O)/C=C/c2cccc(OC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)c2)c1 1874695050 IWHJKRCDISVPSD-DGXQFHRRSA-N 432.903 5.954 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(Cl)c(Cl)c3)c2)c1 1874703315 JSIKKRDDTZISBR-PKNBQFBNSA-N 439.338 6.654 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OC(=O)Cc1cc(C)ccc1C 1874716529 WPHZSSABWXWQJW-PKNBQFBNSA-N 442.555 6.282 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccc(F)c(F)c2F)c1 1874718760 VQGWTXKGWIRBFH-WEVVVXLNSA-N 446.808 5.881 30 10 IKEE C=CCN(CC=C)CCC(=O)c1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1 1874721252 XFUIYCXKOVMLIW-UHFFFAOYSA-N 438.571 5.704 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccccc2)CSc2nnc(C(F)(F)F)n21 1874916564 DFOZUNDNPAJYKK-MRXNPFEDSA-N 426.508 5.359 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccs3)c(Cl)c2)cc1OC 1875098464 IMQOJQRTUUISIF-VMPITWQZSA-N 428.893 5.534 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)cc(Cl)c1OC(=O)CCCSC 1875119358 PVCBBEAHDRZJOR-VAWYXSNFSA-N 448.968 5.692 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OCC 1875125630 SARSIJQCVBQZOF-GZTJUZNOSA-N 442.983 7.291 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OC)cc3)c([N+](=O)[O-])c2)cc1 1875130101 JOFFKBWCXJSNAA-LNKIKWGQSA-N 447.443 5.117 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)CCc1ccc(OC)cc1 1875137159 ZBSGYPGLMLJVMW-CXUHLZMHSA-N 444.527 5.837 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(Cl)c2)ccc1F 1875141546 JAUUMJLPDZHKEP-WTDSWWLTSA-N 439.826 5.811 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2OC)cc1 1875150463 OKCICDLWDMDEBD-RQZCQDPDSA-N 442.555 6.670 30 10 IKEE O=C(CCCOc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 1875158455 WYUBHVKLGSPKCY-RIYZIHGNSA-N 449.434 5.395 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(C)cc2)cc1 1875161537 VLHURHTYLJFDGB-MHWRWJLKSA-N 428.528 6.416 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2ccc(OC(=O)c3cccc(C)c3)cc2)cc1Cl 1875173684 SWEXMKSARJMZGP-FMIVXFBMSA-N 436.891 5.781 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)c(OC)c1 1875178901 IQTKLCGCPZPVSH-AWNIVKPZSA-N 447.443 5.036 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2ccccc2Cl)cc1 1875184649 JWQKHZAPCOYCSS-FOWTUZBSSA-N 446.974 6.990 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)c(C)c3)cc2)cc1Cl 1875186738 AKOBTMSVMUAJNA-IZZDOVSWSA-N 438.882 5.840 30 10 IKEE C=CCCOc1cncc([Sn](CCCC)(CCCC)CCCC)c1 1885687191 FXTNGNRPECTEQP-UHFFFAOYSA-N 438.244 6.093 30 10 IKEE Cc1cc(Br)c(F)c([C@@H](C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)c1 1912194370 KKPVGGMROXYDEY-CQSZACIVSA-N 426.290 5.399 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC(C)(C)C 1922067505 BSPKRZJZXTXPKZ-MZYLBHOOSA-N 448.648 5.225 30 10 IKEE CC[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)CN1Cc1ccccc1 1942589397 JKKAUXKYWLVXOK-SQJMNOBHSA-N 439.987 6.028 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@@H]1CNC(=O)OC(C)(C)C 1944588088 IKRYMOIOFHPMJD-KOSHJBKYSA-N 429.561 5.324 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]([C@](C)(C#N)N(C(=O)OC(C)(C)C)C2CCCC2)CC1 2023566054 LWIKRHJQSRJPBP-XFAGBWLFSA-N 435.609 5.532 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2032000380 OEHNEPGQMQSDOA-CEYNDMKZSA-N 449.636 5.874 30 10 IKEE CCCN[C@@H](CC#CC1CCCCC1)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2034434582 AXKLADLJTCAVBP-LOSJGSFVSA-N 442.644 5.439 30 10 IKEE CCc1ccc(C=C2SC(=Nc3cccc4ccccc34)N(Cc3ccccc3)C2=O)cc1 2040469792 NHMYWLKXCPQTMO-UHFFFAOYSA-N 448.591 7.206 30 10 IKEE O=C(C=Cc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc2c(c1)-c1ccccc1C2 2053614338 MIGABVYRIIRCFF-UHFFFAOYSA-N 449.937 7.060 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](O)c2c(Br)ccc(Cl)c2F)C1 2063050193 GMYHSOOGOJCKBO-HNNXBMFYSA-N 434.733 5.136 30 10 IKEE C#CCN(C[C@@H](NCCC)c1ccc(Cl)cc1Br)C(=O)OC(C)(C)C 2077805059 HDQUBNROMAAJMP-QGZVFWFLSA-N 429.786 5.014 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(Cc3ccccc3)C(C)(C)C2)cc1 2079241296 VGPRLIRIPPAWSI-HHHXNRCGSA-N 433.596 6.074 30 10 IKEE CC[C@@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(C)C)c(C=NO)c1Br 2079984485 GSWIYAIWUSUMNO-AWEZNQCLSA-N 436.247 5.734 30 10 IKEE CC[C@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(C)C)c(C=NO)c1Br 2079984486 GSWIYAIWUSUMNO-CQSZACIVSA-N 436.247 5.734 30 10 IKEE CC1([C@@H](c2ccc(C(F)(F)F)c(F)c2)n2nc(C(F)(F)F)c(C(N)=O)c2Cl)CC1 2080053185 RVZGTSTWRFVHRO-GFCCVEGCSA-N 443.750 5.202 30 10 IKEE CCCOc1ccc([C@H](n2nc(C(C)(C)C)c(C#N)c2Br)C2(C)CC2)cc1 2080072384 PQMPFMUVZSFDCP-IBGZPJMESA-N 430.390 5.993 30 10 IKEE Fc1ccc(C(F)(F)F)cc1-c1c(C2CCCC2)nn(C(F)(F)F)c1Br 2080876171 IYQZTEZMLTZXIP-UHFFFAOYSA-N 445.176 6.604 30 10 IKEE Cc1ccc(F)c(-c2c(C3CCCCC3)nn3c(O)c(C#N)cnc23)c1Br 2081530896 BRNLHHCURBUGGC-UHFFFAOYSA-N 429.293 5.231 30 10 IKEE CCCCC#CC[C@H](NCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2083430541 KVOXBTSPDDJDSU-RPLLCQBOSA-N 442.644 5.392 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1ccc(O)cc1Cl 2096989249 JASFHCBCGCJLFO-QGZVFWFLSA-N 437.721 5.814 30 10 IKEE Cc1ccc(Br)cc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 2098578612 IKLLLZIOHJDYER-SFHVURJKSA-N 435.749 6.417 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CC[C@H](P(C)(C)=O)C1 2104502686 YGYIFLQZXGHMAP-LPHOPBHVSA-N 441.306 5.628 30 10 IKEE CCC[C@@]1(Nc2cc(Br)cc(F)c2C#N)CCCN(C(=O)OC(C)(C)C)C1 2163689932 MFLWAKVDYFEPPX-HXUWFJFHSA-N 440.357 5.442 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CC[C@@H]2CCCN[C@@H]2C1 2166985294 SSQNXCSZKJVAGN-RRMPHLOHSA-N 434.378 5.005 30 10 IKEE CCN(c1cc(Br)ccc1C#N)[C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 2174807632 DYXHOOIWHDDTTC-AEFFLSMTSA-N 436.394 5.231 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCC)c2cc(F)c(Br)c(F)c2)C1 2207158976 AEASLHXLLWPQNS-QGZVFWFLSA-N 445.348 5.239 30 10 IKEE CCN[C@H](C#Cc1ccc(Cl)cc1)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 2212496529 ALDFETCKZXOLCF-HSZRJFAPSA-N 426.988 5.497 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCC)c2sc(C)c(C)c2Br)C1 2221819181 ZDZNGIUTRLSQLO-INIZCTEOSA-N 429.424 5.392 30 10 IKEE C=CCCCCCCC[C@H](N)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2227289373 ZZPAGFSTONYOEC-NDEPHWFRSA-N 443.631 7.761 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[C@@]2(C#N)Nc2ccc(Br)cc2)C1 2233756104 XYPVPCOCBHJIAN-FPDPHYFHSA-N 434.378 5.180 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCCC)c2c(F)cc(F)cc2Br)C1 2233952111 UDYAHQMVDFFTIL-QGZVFWFLSA-N 445.348 5.382 30 10 IKEE CN[C@H](C#Cc1ccccc1Br)c1cccc(F)c1NC(=O)OC(C)(C)C 2235733700 VEDJVYYBKDPQCU-GOSISDBHSA-N 433.321 5.247 30 10 IKEE C=CCCCC[C@@H](NCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237407465 QQQWXGQOOYZDJS-WOJBJXKFSA-N 439.438 5.609 30 10 IKEE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)C(=O)C1=CCCCCCC1 2237424953 ZTPPXILWFRNHRT-LJQANCHMSA-N 436.390 5.735 30 10 IKEE C=C([C@H](OCCCN)c1scc(Br)c1Br)[Si](C)(C)C 2276529602 MRGZBTQOYMNUKF-LBPRGKRZSA-N 427.278 5.113 30 10 IKEE N[C@H](C#Cc1cccc(Br)c1)c1ccc(Br)cc1Br 2278728136 PFBPJEYLKZXBSV-OAHLLOKOSA-N 443.964 5.026 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2c(Br)cccc2C#N)C[C@H]2CCCC[C@@H]21 2285155359 FMXSRTPBSHJZFK-HFTRVMKXSA-N 434.378 5.301 30 10 IKEE O=C(C#Cc1ccc(Br)cc1)c1c(Cl)cc(Br)cc1Cl 2296231173 ATLYNSUAEUMBCG-UHFFFAOYSA-N 432.926 5.753 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H](C(=O)C#Cc1ccc(Br)cc1)C1CCCCC1 2296281010 GRTWMOVKUIZYNV-LJQANCHMSA-N 434.374 5.091 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C=C[C@@H](N)C#Cc2ccc(Br)cc2)cc1 2296305018 NXRSSUVXKJNWFV-IBGZPJMESA-N 427.342 5.188 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@](C)(CC)CNC(=O)OC(C)(C)C 2296310971 QEJCZONPPIWRGP-SIKLNZKXSA-N 437.422 5.110 30 10 IKEE COc1ccc(C=C2CCc3ccccc3C2=O)cc1COc1ccc(NC(C)=O)cc1 2296667059 SRHPYMJSPOOPMI-UHFFFAOYSA-N 427.500 5.445 30 10 IKEE Cc1cccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2ccc(Cl)cc2)c1 2296925500 JJOJGHBTMVKRMC-DEOSSOPVSA-N 429.903 5.831 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)C[C@@H]2CCCC[C@@H]21 2313242019 LWNMPTVQHXAWAF-LUFNOOMBSA-N 442.644 5.601 30 10 IKEE O=C(C=Cc1ccc(F)cc1)c1ccc(OC(=O)N(c2ccccc2)c2ccccc2)cc1 2314429527 JBVZFLRBWKXVTI-UHFFFAOYSA-N 437.470 7.059 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCc4ccc(Cl)c(Cl)c4)ccc3C2=O)cc1 2314437474 NIMLFHQKXMWRBD-UHFFFAOYSA-N 425.311 6.751 30 10 IKEE CCOc1ccc2c(c1)OC(=Cc1cccc(OCC)c1OC(=O)c1ccccc1)C2=O 2314527405 VEHBQWGZWZRCDF-UHFFFAOYSA-N 430.456 5.319 30 10 IKEE O=[N+]([O-])c1ccccc1C=Nn1c(SCc2c(F)cccc2Cl)nnc1C1CC1 2320919090 SDLGHEIMFDPETL-UHFFFAOYSA-N 431.880 5.031 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]2C)cc1 2321322562 UGAMMMFVDBSVAO-WYEJZRMESA-N 443.588 5.664 30 10 IKEE COc1ccc(C=C2Oc3cc(OCc4cccc(F)c4)ccc3C2=O)c(OC)c1OC 2321885956 UTCJNCXGVKOREM-UHFFFAOYSA-N 436.435 5.047 30 10 IKEE COc1cc(C=Nn2c(S)nnc2C2CCCC2)ccc1OCc1cccc(Cl)c1 2321928016 KQCZXKDKMHFZBC-UHFFFAOYSA-N 442.972 5.348 30 10 IKEE CCCCC[C@H](CC)N1COc2c(cc3c(c2C)OC(=Cc2ccc(Cl)cc2)C3=O)C1 2322356692 DOCRBPSDOYSZCP-NRFANRHFSA-N 439.983 6.775 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc(Cl)cc1C=CC(=O)c1cccc(Cl)c1 2322527811 SSSJEZPCNVAFKR-UHFFFAOYSA-N 440.326 6.215 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3ccccc3c2C=CC(=O)c2ccccc2)cc1C 2322545568 CJRGWRCJAGYIQW-UHFFFAOYSA-N 435.523 6.370 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(F)cc2)c1OCC(=O)Nc1cc(C)ccc1C 2322748865 JXJIJDJLVNQGJX-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C)c(C)c2)c1OCC(=O)Nc1c(C)cccc1C 2322901003 BOVTVVUDZRYEMV-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)cc(C)c3C2=O)c1 2323327554 WOZFUKCXUGBKMQ-UHFFFAOYSA-N 430.887 6.192 30 10 IKEE CCCOc1c(Cl)cc(C=Nn2c(S)nnc2CCc2ccccc2)cc1OCC 2323504155 QTLHNBWPQROXDB-UHFFFAOYSA-N 444.988 5.075 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)cc(Br)c1OCC 2323532096 GSHVTSFXYNUSEE-UHFFFAOYSA-N 444.152 6.449 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OC(=O)COc3ccc(Cl)cc3)c2C)C1=O 2323536360 OKRHACXCGVITRL-UHFFFAOYSA-N 434.875 5.557 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OCc1cccc(Cl)c1 2324169888 LKGOQVWTKBOASY-UHFFFAOYSA-N 434.963 7.337 30 10 IKEE Cc1cc(C)c(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C)o2)C3=O)c(C)c1 2324332639 BVTZWZNRQOOYHU-LJQANCHMSA-N 445.515 5.844 30 10 IKEE COc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccccc4Cl)ccc3C2=O)cc1 2324386073 YCMOYTMECIPQRS-OAHLLOKOSA-N 449.890 5.371 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2cccc(F)c2)C3=O)cc1 2324451840 IWELFGUUQDXMBZ-INIZCTEOSA-N 447.462 5.165 30 10 IKEE COc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1ccc(C)cc1)C2=O 2324471051 MUPBSRZAMJVDTF-QGZVFWFLSA-N 429.472 5.026 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2cccc(C)c2)C3=O)cc1 2324478000 DIFMEWPMAOYTBF-SFHVURJKSA-N 427.500 5.580 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2C)C3=O)c(C)c1 2324494967 HIILKYOAQDVTCE-HXUWFJFHSA-N 441.527 5.942 30 10 IKEE Cc1ccc(COc2ccc(C=CC(=O)c3cc(C(C)(C)C)ccc3C)cc2Cl)cc1 2324574709 WUQDNYYMFIJVMR-UHFFFAOYSA-N 432.991 7.729 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(O[C@H](C)C(=O)Nc4ccc(Cl)cc4)c3C)C2=O)cc1 2324611300 CBPBPVSFAKTPIF-QGZVFWFLSA-N 447.918 5.979 30 10 IKEE COc1c(Cl)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)C=Cc2ccc(C)cc2)n1 2324714301 HCMRGXBDRKLWDI-KRWDZBQOSA-N 443.355 6.324 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccc(C)cc4C)c3C)C2=O)cc1 2324893172 JWECIEHXHWPACV-UHFFFAOYSA-N 441.527 5.808 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(OCC(=O)C(C)(C)C)c3C)C2=O)c2cc(OC)ccc21 2324919123 HAPJLQLJZGFAGR-UHFFFAOYSA-N 447.531 5.588 30 10 IKEE CCCOC(=O)[C@H](CC)Oc1ccc2c(c1)OC(=Cc1ccc(Br)cc1)C2=O 2325079299 XVHGPJGKSMVNEU-SFHVURJKSA-N 445.309 5.176 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1ccc2c(c1C)OC(=Cc1ccc(C)o1)C2=O 2325093265 ZNJYVCDJCNUMNV-FQEVSTJZSA-N 426.509 5.794 30 10 IKEE COc1ccc(C)cc1NC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1Cl)C2=O 2325118541 JPXIEYACOABZOX-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE Cc1c(OCc2cccc3ccccc23)ccc2c1OC(=Cc1ccc(C(C)C)cc1)C2=O 2325272819 YPWAPRLZPYOXSI-UHFFFAOYSA-N 434.535 7.467 30 10 IKEE COc1cccc(C=Nn2c(Cc3ccccc3)nnc2SCc2cccc(F)c2)c1 2325471723 DVTFZXIZEXBNGK-UHFFFAOYSA-N 432.524 5.191 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1OC(=O)CSc1ccccc1 2325747023 JQCCJAQBACJJFB-UHFFFAOYSA-N 448.496 5.018 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccc(F)cc3)c2)cc1C 2325770014 LTIZZYBSPYVCEK-UHFFFAOYSA-N 448.490 5.504 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(C)nnc2SCc2ccc(Cl)cc2Cl)cc1 2326697995 YGQVRAWCGINAPJ-UHFFFAOYSA-N 448.423 5.914 30 10 IKEE Cc1cccc(CSc2nnc(CCCOc3ccccc3C)n2N=Cc2ccc[nH]2)c1 2327068839 NGJGZTYPRYMVNN-UHFFFAOYSA-N 445.592 5.409 30 10 IKEE COc1ccccc1CCc1nnc(SCc2ccc(C)cc2)n1N=Cc1cccs1 2328669427 USCAJOHFBCNWQT-UHFFFAOYSA-N 448.617 5.616 30 10 IKEE CCCSc1nnc(COc2ccc(C)cc2C)n1N=Cc1ccc(Cl)c(Cl)c1 2328904646 BLQNDDFYOYTPGL-UHFFFAOYSA-N 449.407 6.165 30 10 IKEE Cc1cccc(C=Nn2c(CCc3cccs3)nnc2SCc2cccc(C)c2)c1 2329639348 FNZVBVYNHUJERG-UHFFFAOYSA-N 432.618 5.916 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3F)n2N=Cc2cccs2)c1 2329745806 UKJGTXKIDXHCNW-UHFFFAOYSA-N 436.581 5.861 30 10 IKEE Cc1ccccc1C=Nn1c(Cc2ccc(F)cc2)nnc1SCCc1ccccc1 2329846260 RKKLCYQKLRLGSM-UHFFFAOYSA-N 430.552 5.533 30 10 IKEE Cc1cccc(C=Nn2c(COc3ccccc3)nnc2SCc2cccc(F)c2)c1 2329898426 SQDPKGJJYHFQEK-UHFFFAOYSA-N 432.524 5.479 30 10 IKEE COc1cccc(C=Nn2c(Cc3ccc(C)cc3)nnc2SCc2cccc(F)c2)c1 2329956096 XMGXXPVCWYHSQM-UHFFFAOYSA-N 446.551 5.500 30 10 IKEE CCCOc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCC)cc1OCC 2330259349 YVIWBIYVFRJGAY-UHFFFAOYSA-N 430.618 5.583 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2ccccc2)cc1 2330643305 FUZCBEXFPYCIRH-UHFFFAOYSA-N 441.560 5.121 30 10 IKEE CCOc1cccc(C=Nn2c(CC(C)(C)C)nnc2SCc2cccc(Cl)c2)c1 2330873148 HCMSZLBGFWLPNK-UHFFFAOYSA-N 443.016 6.093 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(O)c(O)c1 2330874375 DHXUIGZJRXZLPZ-UHFFFAOYSA-N 430.961 5.106 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccncc2)c(Cl)c1)c1cccc(Br)c1 2331002166 NDIVTMBSBBQCRK-UHFFFAOYSA-N 442.696 5.613 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)c1ccc(F)cc1 2331081774 VMYQDDPDHOTIFX-UHFFFAOYSA-N 446.808 5.881 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3cccc(F)c3)nnc2C(F)(F)F)c1 2331123539 LXUKTRLGNZTCPX-UHFFFAOYSA-N 438.450 5.399 30 10 IKEE Fc1cccc(CSc2nnc(-c3ccco3)n2N=Cc2ccc(Cl)cc2Cl)c1 2331187329 WNUWFFMEUFDQBW-UHFFFAOYSA-N 447.322 6.159 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)c1ccccn1 2331331468 CACMARYUVPJIPJ-UHFFFAOYSA-N 425.843 5.306 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(C)c3)cc2Cl)c1 2331337143 BPSMIGCJXUKMHT-UHFFFAOYSA-N 436.910 6.449 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc([N+](=O)[O-])c1OC(=O)C(C)(C)C 2331342650 OKRNKBRLDNHWSS-UHFFFAOYSA-N 429.444 5.289 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)c1cccnc1 2331346821 NESSEHUSCZBKMU-UHFFFAOYSA-N 431.463 5.382 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)Cc2ccc(C)cc2)c(Cl)c1 2331358580 OBRVKDXQUAHARC-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(C=CC(=O)c2ccc(F)cc2)cc1OC 2331541454 MTCBAAQDCWLYHV-UHFFFAOYSA-N 434.463 5.277 30 10 IKEE CCCCCCC(=O)Oc1c(OC)cc(C=CC(=O)c2ccc(F)c(F)c2)cc1OC 2331556452 IKRBPOLHNPKTRQ-UHFFFAOYSA-N 432.463 5.754 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)[C@H](C)c1ccccc1 2331705546 BIHJFWGUYIETPY-HXUWFJFHSA-N 444.527 5.926 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C(C)C)cc1OC 2331706715 OVECFPFFKUEUFQ-UHFFFAOYSA-N 430.961 5.247 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1Cl 2331768873 UUSDXPWZTFWUOZ-UHFFFAOYSA-N 441.011 7.817 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3F)cc2)cc1Cl 2331804769 BRUSNHGTYMVXKJ-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE CC[C@H](NC1CC(COCc2ccccc2)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338514818 XPHUKOXHFZCZCU-MTQWGCILSA-N 435.417 5.022 30 10 IKEE CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccc(C#N)c2)[C@H]1c1cccs1 9433195 YEBLZTWALSQZMT-DHIUTWEWSA-N 429.545 5.195 30 10 IKEE COc1cc(C(=O)/C(=C\c2ccc(C)s2)c2nc3ccccc3[nH]2)cc(OC)c1OC 9444167 MGSXNUPALWYYAC-GHRIWEEISA-N 434.517 5.382 30 10 IKEE COc1ccc([C@H]2N(c3cccc(Br)c3)OC(=O)N2c2ccccc2)cc1 9593522 BBNMSOYZZDBMLU-HXUWFJFHSA-N 425.282 5.535 30 10 IKEE Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)Nc3cccc(Cl)c3)cc(C)c2c1 12241542 TXIYHOPIVWXICP-UHFFFAOYSA-N 430.899 5.515 30 10 IKEE O=C(Nc1ccc(Cl)c(Cl)c1)N1C(/N=C(\O)c2ccccc2)=N[C@H]2CCCC[C@@H]21 17097383 RGKZSIHTECTEAU-ROUUACIJSA-N 431.323 5.513 30 10 IKEE CCCCOc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(OC(C)C)cc1)C2 21246709 OUASMXLGAJHLGT-NFBKMPQASA-N 447.575 5.657 30 10 IKEE COc1cc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(C(C)C)cc2)ccc1OC(C)C 21254430 KYVRNIALWGUMDM-YADHBBJMSA-N 447.575 5.610 30 10 IKEE CCn1nc(C)c(CN/C(=N/C(=O)c2ccccc2C)Nc2ccc(C(C)C)cc2)c1C 32972211 NWLNLZVRIALOKM-UHFFFAOYSA-N 431.584 5.350 30 10 IKEE C=CCC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)CC1CC1 36306581 GUZUNLQRNNRHDO-XMMPIXPASA-N 445.607 5.727 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@H]1c1ccc(C(C)C)cc1 40078292 PIEJGXRXNUIXGO-XMMPIXPASA-N 435.564 5.977 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OC(=O)c4ccco4)cc(C)c3C2=O)c2cc(OC)ccc21 41250712 OLZJYDNXTBKRPJ-KSEXSDGBSA-N 443.455 5.407 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(Cc1ccc(F)cc1)C3 41646393 PEKKECNIMZBPOD-CFRMEGHHSA-N 445.490 5.501 30 10 IKEE Cc1c(Cl)cccc1/N=C(\O)N1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 82113531 ULQCXTMFKAOTQN-UHFFFAOYSA-N 446.938 5.696 30 10 IKEE C#Cc1cccc(N(Cc2ccccc2)C(=O)C2CCN(c3ccc(Cl)cn3)CC2)c1 97545626 FHYGPGZGJBSAME-UHFFFAOYSA-N 429.951 5.166 30 10 IKEE CCOc1ccc(-n2c(-c3ccccc3)cc(/C(C)=N/OCc3ccc(C#N)cc3)c2C)cc1 97629152 MTTGPDDRMKDPSY-NJZRLIGZSA-N 449.554 6.664 30 10 IKEE COc1ccc(CO/N=C(\C)c2cc(-c3ccc(F)cc3)n(-c3cccc(C)c3)c2C)cc1 97632257 CJWXJTVYSXUJMS-TWKHWXDSSA-N 442.534 6.850 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)S/C1=N/c1cccnc1 101124643 FJMNOIFFDBXBAL-PMAZNBEWSA-N 430.316 5.882 30 10 IKEE CCCCCCCCCCCn1c(CCNC(=O)c2ccccc2OC)nc2ccccc21 102138635 YFEMCNZVLBEQSF-UHFFFAOYSA-N 449.639 6.548 30 10 IKEE Cc1ccc(CN2c3ccccc3C(=O)/C(=C/Nc3ccc(Cl)cc3)S2(=O)=O)cc1 103165149 LYIWTAALJKVTCE-HMAPJEAMSA-N 438.936 5.135 30 10 IKEE O=C1C=Cc2cc([N+](=O)[O-])ccc2/C1=C/Nc1cccc(-c2nc3ccccc3s2)c1 136547435 KGODYQXKYSZCQJ-ZHZULCJRSA-N 425.469 5.920 30 10 IKEE CCCCCCCCCCCCCCCCOC(=O)C(F)(F)C(F)(F)C(F)(F)F 138442928 HXCITEKMLXXCSM-UHFFFAOYSA-N 438.468 7.844 30 10 IKEE CC1=C[C@@]2(C)C=C(C)[C@H](C)[C@]3(C)C=C(C)[C@@H]([C@H]13)[C@H]2/C=C/C(O)=C1\C(=O)[C@@H]2CCCN2C1=O 169655546 WDPIULZTNJKEMP-RNXXFAQISA-N 433.592 5.305 30 10 IKEE CCOc1c(Cl)cc(/C=N\Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1OC 169940609 JYSNCCIFCAQEGQ-KSEXSDGBSA-N 444.944 5.275 30 10 IKEE CCCCOc1c(OC)cc(/C=N\Nc2nc(-c3ccc(F)cc3)cs2)cc1[N+](=O)[O-] 169940653 BUOHMQVDHFMTNZ-FMCGGJTJSA-N 444.488 5.491 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2cccc(C)c2)c1 169966454 FDKZYBIOJASCFR-VWLOTQADSA-N 441.527 5.793 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccncc1 170022164 ZCNWXYDYOYZMAO-QFIPXVFZSA-N 444.874 5.573 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 170068143 GYYVXKGEWIZPND-HSZRJFAPSA-N 446.934 5.637 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(N(C)C)cc2)o1 170099976 GDYPFTFWQZIXFW-OAQYLSRUSA-N 436.895 5.090 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2sccc2C)cc1 170105471 LMXAPYFAFGPNCS-IBGZPJMESA-N 425.456 5.426 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2OC)cc1C 170126153 AERHBFKFWGSITO-DEOSSOPVSA-N 449.547 5.313 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)(C)C)c2)[C@@H]1c1cccc(C)c1 170146618 OHKFJJXQKINHJZ-DEOSSOPVSA-N 449.591 6.070 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(OC(C)C)cc1 170152105 VADINHSAWSDPFW-RUZDIDTESA-N 443.543 6.005 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)[C@@H]2c2ccncc2)c1 170200941 LMXQAFARPKPPMY-QFIPXVFZSA-N 444.874 5.573 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccccc1 170227021 YGDYHJFPSLMRPG-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1ccccc1)c1cccc(Cl)c1 170229500 BSRUXXXCHKFESJ-FQEVSTJZSA-N 425.818 5.401 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC)c2)[C@H]1c1ccc(C(C)C)cc1 170245779 QXQONWIFQVCZFM-XMMPIXPASA-N 435.564 5.977 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2F)cc1 170249421 PSOUAOPDQLNWCB-XMMPIXPASA-N 445.490 5.706 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@@H]1c1c[nH]c2ccccc12 170256199 HPTMPZCWNZQXCH-DEOSSOPVSA-N 444.531 5.261 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1ccccc1C 170271540 MJSHECQDJRXZKY-XMMPIXPASA-N 427.500 5.403 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1C 170272225 CJNFHMSBZQACBL-RUZDIDTESA-N 439.555 6.384 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)[C@@H]2c2ccco2)cc1 170284775 WUDRPNGYGFSUHH-NRFANRHFSA-N 449.846 5.471 30 10 IKEE COc1c(Cl)cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccco2)cc1Cl 170286256 FFOVYGGKKUDYTK-SFHVURJKSA-N 444.270 5.378 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccco2)cc1 170293287 HOOQPFOOVQYIGJ-HSZRJFAPSA-N 437.536 5.760 30 10 IKEE C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccc2ccccc2c1 253573791 RVGPIRZWUWHQCH-UHFFFAOYSA-N 426.372 6.883 30 10 IKEE C=CCn1c(SCC(=O)OC/C=C/c2ccccc2)nnc1-c1ccc(Cl)cc1 253578163 XZUWTONUILRTSW-RMKNXTFCSA-N 425.941 5.133 30 10 IKEE C=CCn1c(-c2ccc(C)cc2)c(NC(=O)c2ccco2)sc1=NN=Cc1ccccc1 254482408 MXCFGWDMGPHRQX-UHFFFAOYSA-N 442.544 5.491 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(C)c(Br)c1)NCC 407838913 ZHTOTSIZAMHEGH-MOPGFXCFSA-N 425.411 5.138 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2ccc(Br)cc2)c1 526518183 XEJHIGSBYVZBPE-IBGZPJMESA-N 437.318 5.439 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccco2)cc1OCC 526519380 CDYFTCQONKNHGK-QHCPKHFHSA-N 430.460 5.006 30 10 IKEE CC(C)Oc1ccc(/C=N\n2cnnc2SCc2ccccc2)cc1Br 526798920 BLNZBVBCPLISHW-JJFYIABZSA-N 431.359 5.002 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1ccc(N(CC)CC)cc1 526802758 MCVMMZHZGPCSQY-XYGWBWBKSA-N 425.577 5.390 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1cccc(OCC(C)C)c1 526808659 NCBSTTSHRANYQP-QQXSKIMKSA-N 436.625 6.138 30 10 IKEE C=CCN(CC(=O)c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(CCCCCC)cc1 586180213 OHOFCYTYIPSOHB-UHFFFAOYSA-N 427.610 5.486 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H](Nc3ccc(C#N)cc3Br)C(C)(C)[C@@H]21 693666291 JTXUYUUFWPIIDH-ZTFGCOKTSA-N 434.378 5.157 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1ccsc1Cl 698449943 AOXXKTVUMZRTRL-CQSZACIVSA-N 427.751 6.170 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@H](C#N)c1ccc(Br)cc1Cl 698453831 HLQVCTINTLRZBT-KRWDZBQOSA-N 427.770 6.237 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2ccc(Br)c(F)c2)cc1 698960102 VSCNSFPTCUWCCN-SFHVURJKSA-N 435.293 5.603 30 10 IKEE SC[C@@H](COc1c(Br)cc(Br)cc1Br)C1CC1 702029701 VYJMWTODHZWAFY-MRVPVSSYSA-N 445.014 5.309 30 10 IKEE CCCCCCC[C@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 707832877 CDJPKAPCJKEIAF-NHTMILBNSA-N 434.665 6.214 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H]([C@](C)(C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 710703479 SXSOSUXTNNIJPF-HJPURHCSSA-N 433.524 5.106 30 10 IKEE C=C(CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]1CC[C@H]1[C@H]2CC[C@H]2C(C)(C)C(=O)CC[C@]12C 936069331 DFILFAVPSDARMK-KGLXRSGSSA-N 444.700 6.319 30 10 IKEE CCCCOc1cccc(C(=O)Nc2c(C)cc3nc(NN=C(C)CC)sc3c2C)c1 1081377941 HPVFNCOLFIFGEB-UHFFFAOYSA-N 438.597 6.542 30 10 IKEE Clc1cc(N=Cc2cc(Br)c(N3CCCC3)o2)ccc1Br 1084439244 QEELJYMXZCMSBB-UHFFFAOYSA-N 432.543 5.809 30 10 IKEE C=CCC[C@@H](NC(=O)c1cc(Br)cnc1O)c1ccc(C(F)(F)F)cc1 1137721786 LRHCZNQZWDPSAI-OAHLLOKOSA-N 429.236 5.006 30 10 IKEE CC(=O)Oc1cc(OCCCCCc2ccccc2)cc2c1C1=CC(=O)CC[C@@H]1[C@H](C)N2 1615946008 ZXCKFUKLDOXABH-FDDCHVKYSA-N 433.548 5.580 30 10 IKEE N#Cc1cccc(Cn2c(-c3ccccc3)nc3scc(-c4cccs4)c3c2=O)c1 1857802232 AJCDJJLIRKPRFZ-UHFFFAOYSA-N 425.538 5.773 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc(Br)cc1 1860729805 QBIUKUOIBXVTQA-NTEUORMPSA-N 436.305 5.249 30 10 IKEE CCCCCCCCNC(=O)[C@H](NC(=O)c1cccc(Br)c1)c1ccccc1 1861333353 NFHJLNUTHFWKAC-OAQYLSRUSA-N 445.401 5.397 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C)c(C)c1 1861837122 WORDNRAHXODIBU-SANMLTNESA-N 436.640 5.901 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(OC)c(F)c2)n(Cc2cc(C)ccc2C)n1 1862368833 UBOIPMQAVNGDLC-UHFFFAOYSA-N 433.527 5.177 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccccc1 1862396715 DPJAFWQADSMBOI-URXFXBBRSA-N 435.564 5.941 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(F)cc1F 1862403077 NUEQFCVFNFBTIR-OAQYLSRUSA-N 429.463 5.050 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1CCc1ccccc1 1862441849 DIQRPZYVXKXLBX-HSZRJFAPSA-N 431.919 5.469 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccc(F)cc2)c1 1862490188 PNAPJSCOVFFBST-DEOSSOPVSA-N 435.539 6.134 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2cccc3ccccc23)cc1 1862518860 VRWGTGUENQWVBZ-CJAUYULYSA-N 443.543 6.005 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862532825 GMEHDUWCXSSMOK-QFIPXVFZSA-N 434.492 5.068 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2CC(C)C)cc1 1862540532 PQAXXBCTJYQYAD-RUZDIDTESA-N 449.591 6.052 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1[N+](=O)[O-] 1862582455 FFXZZMVWOVCLMW-BBATYDOGSA-N 449.290 5.278 30 10 IKEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(C)cc1 1862613477 IPAAZAHGQYOMFG-XMMPIXPASA-N 448.607 5.213 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCC(C)C)cc1 1862649921 JOKMDEOEBJSFLP-VWLOTQADSA-N 427.544 6.027 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2[C@H](C)CC)cc1 1862654613 OFAXBVDZRXQHDQ-OSPHWJPCSA-N 429.516 5.615 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2cccc(F)c2)cc1 1862662006 FQZUTQZDGNHBBB-DEOSSOPVSA-N 447.481 5.867 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCOC(C)C)cc1 1862664360 ZOAUHPSCMBWVJQ-DEOSSOPVSA-N 435.564 5.376 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 1862683650 SBVIHVQRFMTODI-FQEVSTJZSA-N 447.428 5.756 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(F)cc1F 1862700532 ISGRNNNUCGBVFZ-NRFANRHFSA-N 429.463 5.132 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(Cl)cc1 1862712710 XVHSSMIHBVUYNH-DEOSSOPVSA-N 447.962 6.652 30 10 IKEE CCOc1ccc(NC2=C(c3ccccc3Cl)C(=O)N(c3ccccc3C#N)C2=O)cc1 1863083596 RDVBOFSBAGRQBX-UHFFFAOYSA-N 443.890 5.007 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(Nc2ccccc2C#N)=C(c2cccc3ccccc23)C1=O 1863231183 XRIDRULNCSPTBA-LJQANCHMSA-N 443.506 5.665 30 10 IKEE CCCCCCCCNC1=C(c2ccc(Cl)c(Cl)c2)C(=O)N(Cc2ccco2)C1=O 1863629579 ORFXKTDXPNVPGO-UHFFFAOYSA-N 449.378 5.817 30 10 IKEE CCCCCCCCNC1=C(c2ccc(F)c(C)c2)C(=O)N(Cc2cccc(C)c2)C1=O 1863796133 RRQHWKSIISXZJM-UHFFFAOYSA-N 436.571 5.673 30 10 IKEE COc1ccc([C@@H]2CN(c3cc(Nc4ccccc4C#N)nc(C(C)C)n3)CCS2)cc1 1868237783 DOKUNSZEXAOSKG-QFIPXVFZSA-N 445.592 5.518 30 10 IKEE CCCc1nc(Nc2cccc(C#N)c2)cc(N2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)n1 1868379201 ZNIDJJNCGKCOMK-HTAPYJJXSA-N 431.515 5.150 30 10 IKEE COc1ccc2c(c1)CCN(c1cc(Nc3ccccc3C#N)nc(-c3cccnc3)n1)[C@H]2C 1868572151 GLSVMYYFVZDIAX-SFHVURJKSA-N 448.530 5.286 30 10 IKEE CCCCCCCCC(=O)N1CC(Oc2ccc(C(=O)Nc3cc(C)ccc3C)cc2)C1 1869904650 RCYBCWXSSKYFER-UHFFFAOYSA-N 436.596 5.896 30 10 IKEE CCCCOc1cn(Cc2ccco2)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870182869 UTAOHAANJAKVBK-UHFFFAOYSA-N 437.565 5.153 30 10 IKEE C=CCOc1cn(Cc2cccc(C)c2)c(CSc2nc3ccccc3s2)cc1=O 1870244358 LBTKOQCAPWDHLK-UHFFFAOYSA-N 434.586 5.672 30 10 IKEE C=CCn1cc(OCc2c(Cl)ccc(Cl)c2Cl)c(=O)cc1CSC(C)(C)C 1870258400 YVRFIVUZVBIPFB-UHFFFAOYSA-N 446.827 6.605 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCCCCCC)cn1CCC1=CCCCC1 1870416765 NXANJOKKVGKSGJ-UHFFFAOYSA-N 426.645 6.262 30 10 IKEE CCCCCCCOc1cn(Cc2ccco2)c(CNc2cccc(N(C)C)c2)cc1=O 1870836770 UUFJUZOBSZDPSO-UHFFFAOYSA-N 437.584 5.517 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2C)c(=O)cc1CNc1ccccc1C 1871078481 NWNOELTWEMBNAM-UHFFFAOYSA-N 446.635 7.017 30 10 IKEE CCCCCCCCn1cc(OCCC)c(=O)cc1CNc1ccc(C(F)(F)F)cc1 1871105782 UYUUHRFYWHMNLV-UHFFFAOYSA-N 438.534 6.629 30 10 IKEE CCn1cc(/C=C2\Oc3c(ccc4c3CN(C3CCCCCC3)CO4)C2=O)c2ccccc21 1871352172 SKCPZPFLBKWFJO-YSMPRRRNSA-N 442.559 6.152 30 10 IKEE CCOc1ccc(CCC(=O)Oc2ccc3c(c2C)O/C(=C\c2ccco2)C3=O)cc1OC 1871369036 WHRRADAFQZGIJN-HAHDFKILSA-N 448.471 5.150 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc3c(c2)O/C(=C\c2cn(C)c4ccccc24)C3=O)cc1 1871369694 FFTMKCDJBOLPLR-MXAYSNPKSA-N 439.467 5.087 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1cc(C)c2c(c1)O/C(=C\c1ccccc1)C2=O 1871371097 KAXIXBTUGKQKFN-JLPGSUDCSA-N 428.484 5.684 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(Cl)c(Cl)c4)cc(C)c3C2=O)o1 1871372457 SDHUMVZEEANHRQ-OCKHKDLRSA-N 429.255 6.039 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871386977 BRSIQRZORSYKOJ-MCBOVYRESA-N 426.468 5.785 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCCCCOc4cccc(C)c4)ccc3C2=O)c1 1871403626 QENPLWVJYCUDRM-ONUIUJJFSA-N 430.500 5.858 30 10 IKEE Cc1c(Cl)cccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O 1871407811 RRZURLXNVJXSQF-GEWRUKCFSA-N 433.891 5.671 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2cccs2)C3=O)c1 1871410909 COVBKXWNDTXTGG-RIWZNOJBSA-N 433.529 5.696 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccccc2F)C3=O)c(C)c1 1871414990 ZPGDPZWZKRXLQY-YNJLWJOVSA-N 445.490 5.773 30 10 IKEE CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)c1 1871426474 PLRJCEHZHUGLGE-ACMDDDSKSA-N 445.446 5.051 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCc4ccc(C(=O)OC(C)C)o4)cc(C)c3C2=O)c1 1871439362 VGFUKMBFBUHABQ-FMCGGJTJSA-N 432.472 5.657 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(OC)cc2C)[nH]c(N2CCCC2)n1 1871691329 ITAVSKKUIQGITN-UHFFFAOYSA-N 440.636 5.507 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cc(C)ccc1C)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872549541 GDLXVUUCGLUJGI-XMMPIXPASA-N 442.625 5.150 30 10 IKEE N#C[C@@H](C(=O)Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc3c(c2)OCO3)cs1 1872773424 NNQGTLKCNGCLGR-ZDUSSCGKSA-N 431.300 5.265 30 10 IKEE N#C[C@@H](C(=O)c1c(Cl)ccc(Cl)c1Cl)c1nc(-c2ccc(F)cc2)cs1 1872776800 YCJGAHFSAYOGJT-NSHDSACASA-N 425.699 6.399 30 10 IKEE C=CCc1ccccc1OCc1ccc(C(=O)Nc2ccc(OCCCCCC)cc2)cc1 1872858925 BJEDPKUBQJIJPP-UHFFFAOYSA-N 443.587 7.206 30 10 IKEE CCOc1ccc(/C=N/Nc2oc(Cc3cccc4ccccc34)nc2C#N)cc1OC 1873463728 OBZLGLKMEXBMKP-JVWAILMASA-N 426.476 5.144 30 10 IKEE CC(C)(C)n1ncc(N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c(Cl)c1=O 1873526386 BZDYINHMENELNQ-BRJLIKDPSA-N 445.350 5.330 30 10 IKEE C=CCn1c(C(=O)Nc2cc(C)cc(C)c2)cc2c(NCc3ccc(OC)cc3)ncnc21 1873636339 LAKIOXMILFOFKF-UHFFFAOYSA-N 441.535 5.107 30 10 IKEE CCOc1cccc(/C=N/n2c(CCCOc3ccc4ccccc4c3)nnc2SC)c1 1874198407 ZVMJABBVBLFTJD-NLRVBDNBSA-N 446.576 5.446 30 10 IKEE CCCSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1ccccn1 1874198842 WLNHFKQEBWVEBM-NLRVBDNBSA-N 431.565 5.222 30 10 IKEE Fc1ccc(CSc2nnc(COc3ccccc3Cl)n2/N=C/c2ccc[nH]2)cc1 1874266157 IRJPJFXGLNVSLY-BRJLIKDPSA-N 441.919 5.152 30 10 IKEE Cc1ccc(CSc2nnc(CCCOc3ccccc3)n2/N=C/c2ccccc2)cc1 1874315255 KDDRMBRSSUBIFT-ZXVVBBHZSA-N 442.588 5.773 30 10 IKEE Cc1cccc(CSc2nnc([C@@H](C)c3ccccc3)n2/N=C/c2ccc(Cl)cc2)c1 1874393715 USYKAWJUBLBSPU-FQNOVECQSA-N 447.007 6.566 30 10 IKEE CCc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2[C@@H](C)c2ccccc2)cc1 1874400572 UCQQFTULIKYFLX-OJQDQQHHSA-N 440.616 6.209 30 10 IKEE CCc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCCc2ccccc2)cc1 1874416687 CNAPVMLCAKYTCZ-NHFJDJAPSA-N 426.589 5.648 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccccc2)n1/N=C/c1cn(C)c2ccccc12 1874426149 TYSFAPQTWBOLBK-JVWAILMASA-N 437.572 5.920 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCCC3)n2/N=C/c2ccc(C(=O)O)cc2)c1 1874456004 WBXWFGQHBVEJMF-AFUMVMLFSA-N 434.565 5.425 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2c(F)cccc2Cl)nnc1C1CCCC1 1874457663 ADQBPNNJYWYTSE-DHRITJCHSA-N 428.964 6.211 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(SCCc2ccccc2)nnc1C(F)(F)F 1874462291 QGZJZRRLHDWMST-AFUMVMLFSA-N 434.487 5.301 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1cn(C)c2ccccc12 1874480099 IAWYBPCIRNIPJF-AFUMVMLFSA-N 438.000 5.940 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1cccs1 1874480327 RVZUZNDQHUPHBL-SRZZPIQSSA-N 425.410 6.164 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C(C)(C)C)cc1 1874482609 IPCQJHQKCWCEJJ-ZVHZXABRSA-N 437.569 5.782 30 10 IKEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(C)cc3C)nnc2C(C)(C)C)cc1 1874486912 QCECRQZVYLYONY-CVKSISIWSA-N 449.624 5.368 30 10 IKEE CCOc1cc(/C=N/n2c(CC(C)C)nnc2SCC)ccc1OCc1ccccc1 1874488530 WLUGBAXIYVUHQU-PCLIKHOPSA-N 438.597 5.449 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccc(OC)cc1 1874508417 BYXVFURCVNCMLI-FSJBWODESA-N 435.380 5.721 30 10 IKEE COc1ccc(OC)c(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CC2)c1 1874519879 PQCNCKUQIOVKTK-FSJBWODESA-N 428.945 5.001 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(C2CC2)n1/N=C/c1c[nH]c2ccccc12 1874521020 XDUHDDRQRCAQAM-OPEKNORGSA-N 442.375 6.118 30 10 IKEE Cc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1cc(Br)ccc1F 1874535232 CTCDREYIHJHSRR-ZVBGSRNCSA-N 439.741 5.316 30 10 IKEE O=C(COc1ccccc1/C=C/C(=O)c1cccc(Br)c1)NC1CCCCC1 1874575966 PUBVDGJPMAKJNP-BUHFOSPRSA-N 442.353 5.173 30 10 IKEE COC(=O)c1ccc(COc2ccc(Cl)cc2/C=C/C(=O)c2ccccc2OC)o1 1874577011 RAHAJYQDQUHARZ-JXMROGBWSA-N 426.852 5.203 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OCC(=O)N[C@H](C)c1ccccc1 1874596002 DYCQIDMMXMFFBJ-WLEBTQASSA-N 429.516 5.156 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1OCc1cccc(C)c1 1874600077 RKDRUERFEKFNJJ-SDNWHVSQSA-N 428.572 7.085 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc1OCc1ccccc1F 1874600756 BMEVDOPNQKJXJX-JXMROGBWSA-N 426.871 5.971 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)ccc1OCc1ccccc1C 1874604635 YCZYQWUURBAUSA-JLHYYAGUSA-N 432.516 5.886 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc([N+](=O)[O-])c1OCc1ccccc1 1874609219 FJLNOYTUJSOVDX-NTEUORMPSA-N 433.460 5.477 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)cc1 1874613840 PYYUFLBNUINCMN-LZYBPNLTSA-N 429.516 5.616 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)cc1 1874613893 SEKROORFQUZYSB-KPKJPENVSA-N 440.898 6.362 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccccc3)cc2[N+](=O)[O-])cc1 1874614876 VDQJRIXFVZMCBC-GXDHUFHOSA-N 430.460 5.071 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(OC)c1OCc1cc(C)ccc1C 1874620231 OYRYWIJMBGGPJC-JLHYYAGUSA-N 444.546 6.963 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OCc1ccc([N+](=O)[O-])cc1 1874621247 PWGSZGHMZIAHGF-BJMVGYQFSA-N 447.443 5.197 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)C2(c3ccc4c(c3)OCO4)CC2)c1)c1ccc(Cl)cc1 1874700988 WBKBHUOCYNPGED-ONNFQVAWSA-N 446.886 5.602 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(F)c(F)c3F)c2)cc1 1874701338 NMXBDJZNBTXEGX-AWNIVKPZSA-N 426.390 5.618 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)COCc3ccccc3)c2)cc1 1874701401 RAEPITRLVAJIDV-OQLLNIDSSA-N 446.499 5.112 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1cccc(/C=C/C(=O)c2ccc3c(c2)OCO3)c1 1874707849 ZKXZIKHIBJUEGN-IZZDOVSWSA-N 434.875 5.503 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2cccc(OC(=O)COc3c(C)cccc3C)c2)c1C 1874711359 XMALOJYYIGPEQJ-BUHFOSPRSA-N 442.555 6.418 30 10 IKEE CC(C)C(=O)Oc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1Br 1875078313 JXONUXZGPVZEDK-RIYZIHGNSA-N 449.344 6.574 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OC(=O)c1ccco1 1875096938 LTNJIPOMFIWHKT-FMIVXFBMSA-N 432.472 5.291 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3ccc(OC)cc3)c(OC)c2)cc1 1875099852 BSHWKTFDUJPSSA-OVCLIPMQSA-N 446.499 5.390 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)ccc1OC(=O)c1cc(C)cc(C)c1 1875109689 ZSGYNPRHMQJVAN-JXMROGBWSA-N 444.527 6.134 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3Cl)cc2)cc1[N+](=O)[O-] 1875111320 DPDQTXAGDTULBH-XYOKQWHBSA-N 437.835 5.372 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1 1875112135 YMZWZIXNQZMTSH-SAPNQHFASA-N 426.899 6.537 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc(Cl)c3)cc2Cl)cc1 1875121363 LUAFGDQLRJADSY-XYOKQWHBSA-N 425.311 6.671 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc(F)c2)c([N+](=O)[O-])c1)c1cccc(Cl)c1 1875124503 OCEVDIXBVPZUJO-VQHVLOKHSA-N 425.799 5.503 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)c1cccs1 1875126057 NVDHPVSYTOMJDS-BJMVGYQFSA-N 428.893 5.534 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(OCC)c(OC(=O)C(C)(C)C)c([N+](=O)[O-])c2)cc1 1875130866 VXGIWTPDUYQVSZ-MDWZMJQESA-N 441.480 5.240 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1 1875135917 OPPSGOJDEYPDDH-AWNIVKPZSA-N 449.890 5.991 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc3ccccc23)c(Cl)c1)c1ccc(F)c(F)c1 1875162088 WOFAQUZSPANESA-XYOKQWHBSA-N 448.852 6.887 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc(Cl)c1OC(=O)C1CC1 1875188226 QTWAZVFCKPCWDD-RMKNXTFCSA-N 428.912 5.576 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)ccc1OC(=O)c1cccnc1 1875191921 LBNVQKIQZFSVHT-FMIVXFBMSA-N 439.467 5.367 30 10 IKEE N#C[C@@]1([C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCCOCC1 1875689864 MUPAMVRSLUBGIG-WUFINQPMSA-N 443.543 5.588 30 10 IKEE CC1CCC(C#N)([C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CC1 1875689883 NAFPBLBNXXKLTG-BJQRQXEHSA-N 441.571 6.598 30 10 IKEE C=CCN(C[C@@H](NCC)c1c(Br)ccc(Cl)c1F)C(=O)OC(C)(C)C 2037658401 ARAKPTBNWQLWRP-CQSZACIVSA-N 435.765 5.315 30 10 IKEE C=CCN[C@@H](C(=O)OCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071357180 QORPTOQZVYJEHN-AREMUKBSSA-N 431.532 5.224 30 10 IKEE C=C([C@H](N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)[Si](C)(C)C 2071357824 RTPVBQLJJURZAC-SVBPBHIXSA-N 447.651 5.639 30 10 IKEE C#CC[C@H](C[C@@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC)C1CC1 2076099352 PAYAWQVYQCUYPU-DSNGMDLFSA-N 442.644 5.294 30 10 IKEE CC(C)(C)c1nn(-c2c(F)c(F)c(F)c(F)c2F)c(Br)c1C(F)(F)F 2079691443 YRKLXKYYJFQBRV-UHFFFAOYSA-N 437.128 5.647 30 10 IKEE Cc1cc(C)c([C@H](n2nc(C(F)(F)F)c(C#N)c2Br)C2(C)CC2)c(C)c1 2079844660 OBTOALAUEUCTDK-INIZCTEOSA-N 426.280 5.851 30 10 IKEE CC[C@@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)(F)F)c(CN)c1Br 2079855207 MQEDLIURXBCDDX-NSHDSACASA-N 448.180 5.280 30 10 IKEE CC(C)[C@H](c1ccc(C(F)(F)F)cc1)n1nc(C2CCC2)c(C=NO)c1Br 2079876819 OWTGJQONMAXQDJ-QGZVFWFLSA-N 444.295 5.985 30 10 IKEE COC(=O)c1c(C(F)(F)F)nn2c(Cl)cc(-c3ccc(C(F)(F)F)c(F)c3)nc12 2081201298 MHQLVYNGJKSXEU-UHFFFAOYSA-N 441.690 5.013 30 10 IKEE C=CCN(CC[C@H](NCC)c1c(Br)ccc(Cl)c1F)C(=O)OC(C)(C)C 2099286736 BXWMKTCECKTHIA-HNNXBMFYSA-N 449.792 5.705 30 10 IKEE C=CCN(CC[C@@H](NCCC)c1cccc(Br)c1F)C(=O)OC(C)(C)C 2099293823 XVUXPRYLNQBVON-QGZVFWFLSA-N 429.374 5.442 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1cccc(F)c1Cl 2119568776 NYWQUKQKRFJVRG-INIZCTEOSA-N 439.712 6.248 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)cc(Br)cc1F 2145542721 BPIFMZVASKPGDC-WMZOPIPTSA-N 445.348 5.075 30 10 IKEE C=CCC1(Nc2ccc(C#N)c(Br)c2F)CCN(C(=O)OC(C)(C)C)CC1 2162328096 LMIAQQVTUUIFTN-UHFFFAOYSA-N 438.341 5.218 30 10 IKEE C=CC1(C[C@@H](NCCC)c2cc(NC(=O)OC(C)(C)C)ccc2Br)CCC1 2168029331 VACGKVFKLOVYRQ-LJQANCHMSA-N 437.422 6.583 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)C[C@H]2CCC[C@@](F)(C2)C1 2175555422 FYDGASVQDBDNJI-RVHYNSKXSA-N 437.353 6.145 30 10 IKEE C#CC[C@H](C[C@H](NCC)c1ccc(I)c(Br)c1)C1CC1 2196854282 MTTSQBPJRXMOOG-DYVFJYSZSA-N 446.170 5.144 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1cc(NC(=O)OC(C)(C)C)ccc1OC 2215800659 IOKHDNSSUNDSRE-HSZRJFAPSA-N 426.557 5.466 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(F)cc(F)cc1Br 2225594619 CFFREHNSCFHHKC-WBVHZDCISA-N 433.337 5.237 30 10 IKEE C=CCCC1([C@H](NC)c2sc(Br)c(C)c2C)CN(C(=O)OC(C)(C)C)C1 2266306395 XEGZXDIZQLZDHT-MRXNPFEDSA-N 443.451 5.591 30 10 IKEE CCCC#CC[C@@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2277011949 UOYMJENXGUGGNN-HHHXNRCGSA-N 443.587 6.055 30 10 IKEE CC1(C)OB(c2ccsc2C(=O)Nc2c(Cl)cc(Cl)cc2Cl)OC1(C)C 2282668942 MVFWJMYAHCUZPQ-UHFFFAOYSA-N 432.565 5.260 30 10 IKEE N#C[C@H](C(=O)c1cc(Br)c(Cl)s1)c1ccc(Br)c(F)c1 2287128619 MWABZRUNGIBKQP-ZETCQYMHSA-N 437.515 5.556 30 10 IKEE CC1(C)OB([C@@H]2C=CC=C[C@@]2(C=Cc2ccccc2)B2OC(C)(C)C(C)(C)O2)OC1(C)C 2294276874 JIVNRTMPQKZINX-RLWLMLJZSA-N 434.194 6.121 30 10 IKEE CN(C)c1ccc(N2C(=O)C(=O)C(=C(O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 2296287814 JGIXGZPRIAAVOA-JOCHJYFZSA-N 432.907 5.032 30 10 IKEE CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 2299173471 JFEGPBYDVCOZMN-QZTJIDSGSA-N 449.979 5.619 30 10 IKEE C=CCC(CC=C)[C@H](NC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2301067109 WREOGKANSYEJFS-OZXSUGGESA-N 428.617 5.187 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 2313151653 WGFFHKYTVHPVGM-ZFFYZDHPSA-N 442.644 5.553 30 10 IKEE O=C1NC(=Nc2ccc(F)cc2)SC1=Cc1ccccc1OCc1ccc([N+](=O)[O-])cc1 2313557935 PGSWHXOQMSKALH-UHFFFAOYSA-N 449.463 5.205 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Br)cc2)ccc1OC(=O)C1CCCCC1 2314429644 LJZQAUDLNWCLII-UHFFFAOYSA-N 443.337 5.840 30 10 IKEE CCN1C(=O)C(=Cc2ccc(OCc3ccc(C)cc3)cc2)SC1=Nc1ccccn1 2314542505 WDWPUSRLTVHRJD-UHFFFAOYSA-N 429.545 5.593 30 10 IKEE O=C(O)c1cccc(N=C2SC(=Cc3cccc([N+](=O)[O-])c3)C(=O)N2c2ccccc2)c1 2314547030 BCASDCMZFRXGEL-UHFFFAOYSA-N 445.456 5.102 30 10 IKEE CCCCCCCCCCCCn1c(CNC(=O)C=Cc2ccccc2)nc2ccccc21 2314867084 KFHUNNPQXRBKQO-UHFFFAOYSA-N 445.651 7.287 30 10 IKEE C=Cc1ccc(COc2ccc3c(c2C)OC(=Cc2cc(OC)ccc2OC)C3=O)cc1 2321869560 HCHNZCHFTVVKLM-UHFFFAOYSA-N 428.484 5.850 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccccc2CC)cc1 2322391390 JIJJGJVMNBRWMB-UHFFFAOYSA-N 441.571 6.505 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2)cc1C 2322415902 HKSNIUUQBWESHW-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccccc2)c1OCC(=O)Nc1cc(C)ccc1C 2322545821 GEZINOJGLATQRA-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Br)ccc2OCC(=O)OCC(C)C)c(C)c1 2322568978 LYQHHYSCLDDLRM-UHFFFAOYSA-N 445.353 5.540 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc3c(c2)OCO3)c1OCCc1ccccc1 2322698812 HHHUMTZDBUATFF-UHFFFAOYSA-N 436.891 5.595 30 10 IKEE O=C(C=Cc1cc(Br)ccc1OCCc1ccccc1)c1ccc(F)cc1 2322738316 LOANURBCQZVBJE-UHFFFAOYSA-N 425.297 6.106 30 10 IKEE COc1cccc(C=CC(=O)c2cc(C)cc(C)c2OC)c1OCC(=O)Nc1ccccc1 2322856966 UQPCCVVVOWCXNI-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cc(Cl)cc(OC)c2OCc2ccccc2)cc1C 2322991991 AURMZSYNXMGYRX-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE CCCCCCCCCOc1ccc(C=Nn2c(S)nnc2CCCC)cc1OCC 2323499546 ZQNOKEKGJFWTOS-UHFFFAOYSA-N 446.661 6.320 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Cl)c1OCc1ccc(Cl)cc1 2323719343 KLVSJVHWEJIHTL-UHFFFAOYSA-N 449.280 6.755 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OC(=O)C=Cc4ccccc4)c3C)C2=O)c1OC 2323745334 WQDRARCDRULDMW-UHFFFAOYSA-N 442.467 5.247 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1F 2323780753 NONCZGNLZZPAAA-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE COc1ccc(-c2csc(NN=Cc3ccc(OC)c(Br)c3)n2)c(OC)c1 2323840144 PXYVUSVYPXLECT-UHFFFAOYSA-N 448.342 5.044 30 10 IKEE Cc1ccc(-c2csc(NN=Cc3ccc(OCCCc4ccccc4)cc3)n2)cc1C 2323850935 YNAOAZNMUIQXHI-UHFFFAOYSA-N 441.600 6.885 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(OC(=O)CCc4cccs4)c3C)C2=O)cc1 2323979061 YBYGUWBDNVBVCD-UHFFFAOYSA-N 434.513 5.610 30 10 IKEE CCc1ccc(C=C2Oc3c(CN4C[C@@]5(C)C[C@H]4CC(C)(C)C5)c(O)cc(C)c3C2=O)cc1 2324097732 FBXVYRZQUUWPSF-PBBNMVCDSA-N 445.603 6.280 30 10 IKEE Cc1ccc(C)c(COc2ccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)cc2Cl)c1 2324339181 JIHXCALTVXQJLT-UHFFFAOYSA-N 432.991 7.666 30 10 IKEE CCc1cccc(CC)c1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccco1)C2=O 2324381318 XIKPFEGGCSDJQY-QGZVFWFLSA-N 445.515 5.735 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc1 2324522563 KSJZCFHGEGITLZ-UHFFFAOYSA-N 443.971 5.581 30 10 IKEE Cc1ccc(OCCOc2cc(C)c3c(c2)OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)cc1 2324538776 YCWHRAKGLDQAQP-UHFFFAOYSA-N 442.555 6.675 30 10 IKEE COc1ccc(OC)c(C=CC(=O)[C@@H](C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)c1 2324825831 CDLGQANSTJIYMV-HXUWFJFHSA-N 448.544 5.342 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1cccc(C)c1)C2=O 2325005390 VAZNVQFWEJJEOW-UHFFFAOYSA-N 441.527 5.808 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(Cc2ccccc2)n1N=Cc1ccccn1 2325506571 LPRZDJDGRRTQHK-UHFFFAOYSA-N 437.931 5.231 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3cc(C)ccc3C)c2)cc1 2325704107 JMILIOGZUJGTQH-UHFFFAOYSA-N 428.528 5.919 30 10 IKEE CCc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2cccc(C)c2)C3=O)cc1 2325722894 ZSRYNLCCACSRGF-UHFFFAOYSA-N 427.500 5.500 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4C(C)C)cc(C)c3C2=O)cc1 2325726292 USPACHVEJRUQCW-UHFFFAOYSA-N 441.527 6.061 30 10 IKEE Cc1cc(C)c(NC(=O)COc2ccc3c(c2C)OC(=Cc2sccc2C)C3=O)c(C)c1 2325737036 SORFDCPDUDRRST-UHFFFAOYSA-N 447.556 5.924 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC(=O)CCOc2ccccc2)c1 2325765839 RVQANSWZYBDIRJ-UHFFFAOYSA-N 442.555 6.563 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccccc1OC 2326074674 LNQOIWZCCNXZNX-UHFFFAOYSA-N 442.972 5.112 30 10 IKEE CCCOc1c(Cl)cc(C=Nn2c(C)nnc2SCc2ccc(C)cc2)cc1Cl 2326295477 WVYJGICWPQOIDC-UHFFFAOYSA-N 449.407 6.165 30 10 IKEE CCCCCOc1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2Cl)cc1 2326697723 JRFDCWRFLOJACT-UHFFFAOYSA-N 449.407 6.328 30 10 IKEE CCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1cccc2ccccc12 2327268380 GXROHNNWOPVEPH-UHFFFAOYSA-N 430.577 5.930 30 10 IKEE C=CCSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1cc(Cl)ccc1O 2327385510 YEXWCVBSWGFJCE-UHFFFAOYSA-N 442.972 5.329 30 10 IKEE CCCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1cccc2ccccc12 2328507657 MYTWRZJWRBGWEG-UHFFFAOYSA-N 431.521 5.315 30 10 IKEE Cc1ccc(CSc2nnc(COc3c(C)cccc3C)n2N=Cc2cccn2C)cc1 2328545569 TWVLCVHIHOKWIE-UHFFFAOYSA-N 445.592 5.295 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2ccccc2F)c(C)c1 2328897827 OXCNZGIBIAEHEG-UHFFFAOYSA-N 446.551 5.788 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OC)cc2)n1N=Cc1cccc(OCCC)c1 2329278097 AGGQSUWCBUPUEC-UHFFFAOYSA-N 436.581 5.217 30 10 IKEE Cc1cccc(CSc2nnc([C@H](C)c3ccccc3)n2N=Cc2cccc(Cl)c2)c1 2330074492 FXBVSKQAIXCETB-LJQANCHMSA-N 447.007 6.566 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2F)n1N=Cc1ccc(O)c(O)c1 2330108701 JNWXUIQZOMMQMJ-MRXNPFEDSA-N 448.523 5.155 30 10 IKEE CCCSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2330122177 YGQPJSBRFPYOCS-AWEZNQCLSA-N 429.933 5.376 30 10 IKEE Cc1ccccc1C=Nn1c(Cc2cccs2)nnc1SCc1ccc(Cl)cc1 2330422526 VWJVJZZJGRGCKB-UHFFFAOYSA-N 439.009 6.067 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2cccs2)c1 2330627239 XOZHDSPTYJXZRP-UHFFFAOYSA-N 447.589 5.236 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)Oc3ccc(Cl)cc3)cc2)c1 2330775785 KWQOMKYIOPZYGC-QGZVFWFLSA-N 436.891 5.618 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(Cl)cc3)cc2)cc1 2330824445 MOVZQORAAPMXNU-UHFFFAOYSA-N 432.947 6.727 30 10 IKEE COC(=O)c1ccc(CSc2nnc(CC(C)(C)C)n2N=Cc2ccccc2Cl)o1 2330839861 OBLVRMUXCNRLAX-UHFFFAOYSA-N 446.960 5.074 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCCc3ccccc3)nnc2[C@H]2CCCO2)cc1 2330968081 WTDSDAZIKAKCSM-HSZRJFAPSA-N 449.624 5.193 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc(Cl)c2)c([N+](=O)[O-])c1)c1cccc(Cl)c1 2331129150 UOHUMJXBCNFGOG-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)c1ccc(C(F)(F)F)cc1 2331183766 JBWQPWRQASWXHX-UHFFFAOYSA-N 426.390 5.829 30 10 IKEE CCOc1c(C=Nn2c(SCCc3ccccc3)nnc2-c2ccco2)cccc1OC 2331211505 SYWCJDCLTOHRMJ-UHFFFAOYSA-N 448.548 5.162 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3)c([N+](=O)[O-])c2)cc1 2331305409 ZITGBBMRONELBX-UHFFFAOYSA-N 445.471 5.428 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2)cc1OC 2331313450 LKWKUARBTXMRGU-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2[N+](=O)[O-])c1 2331322473 BTKKQACVLXYIFM-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1N=Cc1cccc(Cl)c1 2331326452 GSGWQROQCKAKGF-UHFFFAOYSA-N 441.988 5.196 30 10 IKEE CCCCc1nnc(SCCc2ccccc2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2331339049 BRUNBHIOHQJERI-UHFFFAOYSA-N 443.960 5.399 30 10 IKEE Cc1cccc(CSc2nnc(C(C)(C)C)n2N=Cc2ccc(C(F)(F)F)cc2)c1 2331377471 BWGADNKGDCFSFZ-UHFFFAOYSA-N 432.515 6.077 30 10 IKEE CC(C)CC(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1Br 2331400061 FIFRNUCEDYUQBP-UHFFFAOYSA-N 445.309 5.068 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc3ccccc23)cc(Cl)c1OC(=O)C1CCCC1 2331477497 VSTVPNZEINTQGG-UHFFFAOYSA-N 448.946 6.884 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OC(=O)c1ccccc1 2331589765 SJJYNPJVHBYCTH-UHFFFAOYSA-N 444.527 6.251 30 10 IKEE CCc1ccc(Nc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)c(Br)c1 2364852444 JJNITHHXJSAZCH-UHFFFAOYSA-N 437.574 5.103 30 10 IKEE C[C@H]1CN(Cc2ccccc2)C[C@@]1(C)CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2365102909 HDRZGRKEGBKAGN-OXBKHJFNSA-N 447.432 5.296 30 10 IKEE C=CCCCCCC[C@@H](NC)[C@H](O)c1sc(Cl)cc1I 2366646600 XNWWNVMMTRWCOU-OCCSQVGLSA-N 427.779 5.154 30 10 IKEE C=CCN(C[C@H](NCC)c1c(C)c(C)c(Br)c(C)c1C)C(=O)OC(C)(C)C 2372285928 ABJNNJBBGYGIRJ-SFHVURJKSA-N 439.438 5.756 30 10 IKEE CCc1ccc(-c2n[nH]c3c2[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 9597322 HQBKRZPRWVGCDG-OAQYLSRUSA-N 431.967 6.493 30 10 IKEE CC(C)[C@H]1C2=C(CC(C)(C)CC2=O)Nc2nc(SCc3ccc(Cl)cc3)[nH]c(=O)c21 20134462 CVHNDELSLUPQBT-KRWDZBQOSA-N 444.000 5.524 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2scc(-c3ccccc3)c2C(=O)OCC)c1 20159135 XCRQZBAMGDPLSI-UHFFFAOYSA-N 448.588 6.682 30 10 IKEE Cc1ccc(C(=O)O)cc1-c1ccc(/C=N/N=C(\O)C(F)(F)C(F)(F)C(F)(F)F)o1 33747292 GUTUXGNYLBEYHF-JRXWSOMVSA-N 440.271 5.077 30 10 IKEE O=C1/C(=C/c2ccccc2Cl)Oc2cc(OCc3ccc(Cl)cc3Cl)ccc21 39754084 CKXJSNPTULKLGA-NKVSQWTQSA-N 431.702 6.842 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCc4ccc(Cl)c(Cl)c4)ccc3C2=O)c1 39754143 OEMKBDXBEPVPRD-JJFYIABZSA-N 427.283 6.197 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@H]1c1cccc2ccccc12 40078312 FHDXEDGOPZFLDK-RUZDIDTESA-N 443.543 6.007 30 10 IKEE C=CCc1ccc(OCCCCn2c([C@H](C)NC(=O)C3CC3)nc3ccccc32)c(OC)c1 40190604 IADLSFBWJVJBOQ-IBGZPJMESA-N 447.579 5.220 30 10 IKEE CCOC(=O)c1sc(NC(=O)COc2ccc(-c3ccc(C)cc3)cc2)c(C#N)c1C 40859574 YQCMCGHLJUFWTI-UHFFFAOYSA-N 434.517 5.098 30 10 IKEE Cc1cc(O)c(C(C)C)cc1/N=C/c1cc(Br)c(O)c(Br)c1 59506301 QCDAWJOLBNAMIZ-DNTJNYDQSA-N 427.136 5.805 30 10 IKEE O=[N+]([O-])c1cc(/C=N/c2ccccc2/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1Cl 59513962 PRJFXMAVMQQASW-ASIDMNOUSA-N 443.246 6.311 30 10 IKEE CC(C)(C)OC(=O)N1CCC(CNc2nc3ccccc3n2Cc2ccccc2C#N)CC1 95083926 DLRCYAGYTMGCIB-UHFFFAOYSA-N 445.567 5.015 30 10 IKEE CCCCCCCn1c([C@@H](C)NC(=O)COc2ccc(Cl)cc2)nc2ccccc21 102128804 BBDADSLKQYEVIE-GOSISDBHSA-N 427.976 5.916 30 10 IKEE O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccc(Cl)cc2Cl)/C1=C(/O)c1ccccc1 103093350 KTVQIUIZLKMUFG-GOBJLOIFSA-N 439.298 5.010 30 10 IKEE O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cc(-c2cccnc2)nc2ccccc12 105724637 WLFASTROFXAPNC-UHFFFAOYSA-N 426.479 5.344 30 10 IKEE C=C1CC[C@@H]2C(C)(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)C(=O)CC[C@@]12C 169433974 AVJMTAKTBATOTJ-IAJRBKFDSA-N 438.696 7.722 30 10 IKEE endogenous,in-man COc1ccccc1[C@@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1Cc1cccs1 169939451 NYDBUGIWEQSROR-JOCHJYFZSA-N 444.512 5.017 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccc(O)cc2)cc1C 169961071 OSMCLCHKFFLZCZ-XMMPIXPASA-N 443.499 5.109 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2nc3ccccc3[nH]2)c1 169973045 PALRFUFELPSXIZ-HSZRJFAPSA-N 448.482 5.136 30 10 IKEE CC(C)Oc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccccc2)c1 169979684 YOBNMKSRIDOVAD-QHCPKHFHSA-N 447.918 5.910 30 10 IKEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccccn2)cc1 169991159 GCAXOBIAKXMDHV-RUZDIDTESA-N 449.510 5.084 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@H]2c2cccnc2)c1 170004738 LLTAJTALGOMGMG-NRFANRHFSA-N 436.870 5.274 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 170029638 WWJVMBNIRGCSBA-SANMLTNESA-N 441.527 5.496 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc3ccccc23)ccc1F 170045546 NCPQEUPJVGIJRO-XMMPIXPASA-N 441.458 5.659 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc2ccccc12 170046002 UOMZXLXHTOTKJP-QFIPXVFZSA-N 435.907 5.108 30 10 IKEE CC(C)Oc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 170053752 WIFXADXSRHUMTC-QHCPKHFHSA-N 447.918 5.910 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccc(F)cc2)cc1 170061588 VQJHCHPRWSSBBO-XMMPIXPASA-N 440.474 5.652 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc(C)c2)c1 170145264 DNGUILWRRIWKKJ-DEOSSOPVSA-N 433.548 5.695 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@@H]1c1ccccc1 170228173 QELCEUNHDFHKKB-XMMPIXPASA-N 427.500 5.403 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(F)cc1)c1cccc2ccccc12 170241134 LNSGULYMXZJLNE-HSZRJFAPSA-N 427.431 5.350 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1ccccc1F)c1cccc2ccccc12 170248848 QNNSDRNLVFGHBR-DEOSSOPVSA-N 439.442 5.467 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1F 170251695 UPVHPXIEOHPSSB-XMMPIXPASA-N 449.566 6.343 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@@H]1c1ccc(CC)cc1 170267833 YHDLOJVTCYFCNE-QHCPKHFHSA-N 435.564 5.543 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1CCOC(C)C 170270524 BJXDRLSIRRHYQS-XMMPIXPASA-N 429.516 5.152 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2ccco2)c(C)c1 170283856 YLJAVIHGEULYDT-NRFANRHFSA-N 437.879 5.341 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2CCOC(C)C)o1 170298763 AKSIOOPPKZPZOW-JOCHJYFZSA-N 439.552 5.197 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2cccc(Cl)c2)o1 170303603 KBUBFFJJZLOXBW-JLCFBVMHSA-N 449.890 5.348 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC(C)C)c3)[C@@H]2c2ccc(C)o2)cc1 170303720 TUUHUGWTFSUMEK-DEOSSOPVSA-N 445.515 5.714 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3c(c2)C[C@H](C)O3)=C(O)C(=O)N1C1CCCCC1 170317644 MHHPKDKFPHQKIB-YCRPNKLZSA-N 437.561 5.291 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Nc3ccccc3)cc2)[C@@H]1c1ccco1)c1cccs1 170400406 LSBJHCXRTZFLBY-JOCHJYFZSA-N 442.496 5.868 30 10 IKEE Cc1ccc2c(c1)S/C(=C1\C[C@@H]3[C@@H]4CC[C@H]5CCCC[C@@]5(C)[C@H]4CC[C@@]3(C)C1=O)S2 253578538 YMDSWPZYGHRYGY-UEWJNEGGSA-N 438.702 8.016 30 10 IKEE COc1ccc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1OC 526487691 FUZHRNUZSOSLPD-QHCPKHFHSA-N 446.890 5.286 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccc(OC(C)C)c2)cc1 526605369 WJUMALJSCKLQFL-RUZDIDTESA-N 440.499 5.411 30 10 IKEE N#Cc1cccc(N2C(=O)C(Nc3ccc4ccccc4c3)=C(Sc3ccccc3)C2=O)c1 526636466 QOKYQIKTRADGOF-UHFFFAOYSA-N 447.519 5.701 30 10 IKEE CCCCCCCOc1ccccc1/C=N\n1cnnc1SCc1ccccc1F 526802298 FPCFXQPTWXFKHO-QQXSKIMKSA-N 426.561 5.941 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1ccc(OC(C)(C)C)cc1 526823639 MILZVCFOOWDUNN-MSXFZWOLSA-N 449.407 6.245 30 10 IKEE C#CCN(c1ccc(OCC)c(OCC)c1)S(=O)(=O)c1ccc(CCCCCC)cc1 586235777 GBGNDRYUSQFUCZ-UHFFFAOYSA-N 443.609 5.435 30 10 IKEE C=C(C)CN(c1ccc(N2CCC(C)CC2)cc1)S(=O)(=O)c1ccc(OCC)cc1 586254235 PYMSBPWZYZDTSF-UHFFFAOYSA-N 428.598 5.093 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](Nc3ccc(Br)cc3C#N)C(C)(C)[C@H]21 693664776 ASXKFVMPXOQIOW-NJAFHUGGSA-N 434.378 5.157 30 10 IKEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(Cl)ccc1Br 698374752 MFZTYUHFOHUBSH-KRWDZBQOSA-N 444.801 5.246 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 698455569 DHDDANGBEFKFQF-NTKDMRAZSA-N 435.609 5.628 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@H](C#N)c1ccc(F)cc1Br 698958290 PMOKUBYHYSMDEO-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)C[C@H]2C)cc1 698959146 RXBDETDKNARIHX-HOYKHHGWSA-N 429.561 5.276 30 10 IKEE CN(C)c1ccc(C=NNc2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)s2)cc1 1083946916 XIPVNGIAEZMVFR-UHFFFAOYSA-N 432.980 6.643 30 10 IKEE CCN(CC)c1ccc(C=Nc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)cc1 1084191822 KIPXLOZZHCLRHC-UHFFFAOYSA-N 433.577 5.035 30 10 IKEE CN1C/C(=C/c2ccc(C(F)(F)F)cc2)C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)C1 1088691008 SKRGGMSNWKYRIW-VRNBXGKJSA-N 425.372 5.706 30 10 IKEE C=CCCCCCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCC[C@H]1C 1690449399 GCZKXSNZKGRGFF-MOPGFXCFSA-N 434.588 5.213 30 10 IKEE CC(=C\c1ccccc1)/C=C1/SC(=Nc2ccncc2Cl)N(C2CCCCC2)C1=O 1772737296 OMFATYUEJIXTST-NGNJZBRFSA-N 437.996 6.618 30 10 IKEE N#Cc1cccc(C(=O)Oc2ccc(C3CCN(C(=O)Nc4ccccc4)CC3)cc2)c1 1860693982 FSDQXEWKIISWFK-UHFFFAOYSA-N 425.488 5.189 30 10 IKEE CCOc1ccc(-c2csc(SCC(=O)Nc3sc4c(c3C#N)CCC4)n2)cc1 1860802407 DLUBQKUTZMUTQD-UHFFFAOYSA-N 441.603 5.361 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1 1861377387 HFXRTTXHCCGOFL-DEOSSOPVSA-N 426.576 5.424 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2c(F)cc(F)cc2F)n(Cc2ccccc2Cl)n1 1862343528 BPQXOPOFNGJWJP-UHFFFAOYSA-N 445.872 5.483 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@@H]1c1ccccc1 1862387133 DNLXYJKSNBTEQF-RSXGOPAZSA-N 447.619 6.966 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(O)cc2)cc1 1862389509 HJWUFKRIDPIDDK-QHCPKHFHSA-N 447.556 5.575 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 1862448243 IYCOHWHGAAHFOT-OAQYLSRUSA-N 448.862 5.027 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2c(F)cc(F)cc2F)=C(O)C(=O)N1C1CCCCC1 1862456433 RQFTZDOLWHIZHF-OAQYLSRUSA-N 429.438 5.323 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@H]2c2ccc(C)cc2)cc1 1862475683 RWNYQDAOAVFLKR-QHCPKHFHSA-N 431.919 5.735 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2cccc(F)c2)c1 1862489113 PQWUJYSIOUMLEE-XMMPIXPASA-N 435.539 6.134 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc3cc[nH]c3c2)c1 1862491654 YEJXRDJJCAQXMT-DEOSSOPVSA-N 428.532 5.696 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862502184 SXQGVFXSDIIWMA-RUZDIDTESA-N 443.518 5.783 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862534806 VEVZDYPMZXFUJI-RUZDIDTESA-N 436.511 5.509 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2cccc(Cl)c2)cc1 1862560489 IWDKJGQTFJTSIP-HSZRJFAPSA-N 446.934 5.052 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(O)c1 1862580039 CEMPMKGFZZNRSP-LJQANCHMSA-N 434.319 5.323 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2cccc(Cl)c2)cc1 1862590394 IBDIWYPJCZKFSC-HSZRJFAPSA-N 447.918 5.387 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1ccc(C(C)C)cc1 1862641352 ZKEUJBRKXAHXSB-JOCHJYFZSA-N 425.500 5.336 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1[C@H](C)c1ccccc1 1862648561 FHJVFAVHOMDIDN-NFQMXDRXSA-N 447.534 6.488 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)cc1 1862660687 OSLMYCXNILMWIU-RZPHLTDDSA-N 431.576 6.275 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862678880 WJZWSBXQBGDCDN-DEOSSOPVSA-N 449.566 6.424 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 1862692618 POYQHBLPXSIRMX-DEOSSOPVSA-N 447.575 5.904 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(Cl)cc3C)C(=O)N(c3ccccc3C#N)C2=O)cc1C 1862885450 UQOARERCTCEBEV-UHFFFAOYSA-N 441.918 5.534 30 10 IKEE CCCCCCCCNC1=C(c2ccc(Cl)cc2)C(=O)N(CCc2ccccc2)C1=O 1863524849 JOBSMAZKLQIUHN-UHFFFAOYSA-N 438.999 5.613 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2F)C(=O)N(CCc2cccs2)C1=O 1863647493 XXISETQKIVMIID-UHFFFAOYSA-N 428.573 5.160 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC(c3nc4c(s3)CCCC4)CC2)nc(CCC)n1 1869216728 FXAGLDSCVQGVKS-UHFFFAOYSA-N 437.657 5.327 30 10 IKEE C=CCN(CC=C)c1cc(N2CC(C)(C)c3ccccc32)nc(-c2cccc(OC)c2)n1 1869310711 DNUZJVKJGHGDEE-UHFFFAOYSA-N 426.564 5.760 30 10 IKEE CCCCCCOc1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(Cl)s2)cc1 1870153531 YFAAOGQHCPHDIS-UHFFFAOYSA-N 429.933 5.065 30 10 IKEE Cc1ccccc1-c1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(-n3cccc3)cc2)cc1 1870153920 HZMOUICMIMZUDF-UHFFFAOYSA-N 444.498 5.157 30 10 IKEE C=CCn1cc(OCC(=O)Nc2ccc([C@H](C)CC)cc2)c(=O)cc1CSC(C)(C)C 1870183391 PYHDJJHSKQIEJV-GOSISDBHSA-N 442.625 5.597 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccccc2)cn1CCCCc1ccccc1 1870467843 CTFTUWGSIIGBTD-UHFFFAOYSA-N 442.603 5.624 30 10 IKEE C=CCOc1cn(CCCCCCCC)c(CNc2ccc(C(F)(F)F)cc2)cc1=O 1870812608 XEGQAGFJHIAIAF-UHFFFAOYSA-N 436.518 6.405 30 10 IKEE C=CCOc1cn(CCCCCCCCCC)c(CNc2cccc(N(C)C)c2)cc1=O 1870813169 ZOCFZZRRZNQGSW-UHFFFAOYSA-N 439.644 6.232 30 10 IKEE CCCCCCCOc1cn(CCN(C)C)c(CNc2ccccc2C(C)C)cc1=O 1870837924 FPOHFIWFUFRSEZ-UHFFFAOYSA-N 427.633 5.495 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(F)cc1)O3)CN(CCCCc1ccccc1)CO2 1871354641 WJJMACVETZZRIQ-XYGWBWBKSA-N 443.518 5.925 30 10 IKEE CCn1cc(/C=C2\Oc3c(ccc(OC(=O)C4CCC4)c3C)C2=O)c2cc(OC)ccc21 1871362675 XKQHKIXTJXDLHA-FMCGGJTJSA-N 431.488 5.300 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OC(=O)Cc3cccc4ccccc34)cc(C)c2C1=O 1871376534 POKMNFIQGOWTAW-HAHDFKILSA-N 440.520 6.282 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O 1871385761 LEOJXVODYNSQES-HMAPJEAMSA-N 439.294 6.148 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2Cl)C3=O)c1 1871386992 CGZQPJKNINKBAU-XKZIYDEJSA-N 434.875 5.883 30 10 IKEE CCOc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccco2)C3=O)cc1 1871405207 ANAVUIBZQPHBFE-NXUSMQHESA-N 433.460 5.009 30 10 IKEE COc1cccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4C)cc(C)c3C2=O)c1 1871409487 PBHVHQCAPCRBCD-SMNNTEATSA-N 443.499 5.334 30 10 IKEE N#Cc1ccc(COc2ccc3c(c2)O/C(=C\c2ccc(Br)cc2)C3=O)cc1 1871417776 PXOVUGRKIDVBIX-JJFYIABZSA-N 432.273 5.516 30 10 IKEE CCCCCCCCN=c1nc(N(C)CCCC)[nH]c(=Nc2cccc3ccccc23)[nH]1 1871729323 CINRZEBXQADGDK-UHFFFAOYSA-N 434.632 5.621 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(F)cc1 1871892157 MBVOVFYUMIJGDL-QHCPKHFHSA-N 446.588 5.063 30 10 IKEE C=CCN([C@H](C)C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)S(=O)(=O)c1ccccc1 1872319471 DQANJOGCOUXQTP-LJQANCHMSA-N 428.598 5.137 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1ccc(C)c(C)c1 1872613136 LMYWLPFOTBESTC-HSZRJFAPSA-N 438.678 5.253 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3cccs3)n2)cc1OCCC 1872767191 PEZGRUKMHVPXIG-SFHVURJKSA-N 440.590 5.868 30 10 IKEE C=CCOc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2ccc(OCCC)cc2)cs1 1872770266 OILCALDGBDYRSD-FQEVSTJZSA-N 448.544 5.419 30 10 IKEE N#C[C@H](C(=O)c1ccc(-n2cccc2)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872770612 ZTHCDXINEOOQFI-QGZVFWFLSA-N 438.339 6.398 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)Cc2c[nH]c3ccccc23)n1 1872786469 LEYUTTUWWKPPRS-SFHVURJKSA-N 435.936 5.681 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@@H](C#N)C(=O)CCc2ccc(Cl)cc2)n1 1872787948 BPFIWULJDWVUST-KRWDZBQOSA-N 431.344 5.935 30 10 IKEE CCCCCCCCN1C[C@H](C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)CC1=O 1873015590 XUEZIMSQKLTYPY-VQTJNVASSA-N 441.641 5.211 30 10 IKEE CCCCCCCCNC1=C(c2ccc(OC)c(OC)c2)C(=O)N(C2CCCCC2)C1=O 1873019614 IAVFLHQUNKKSAP-UHFFFAOYSA-N 442.600 5.067 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H](CC)CCCCC)=C(c2ccccc2Cl)C1=O 1873032166 WLEMVPYYVZBOFX-FQEVSTJZSA-N 447.063 6.729 30 10 IKEE CCCOc1ccc(/C=N/Nc2oc([C@H]3C[C@H]3c3ccccc3)nc2C#N)cc1OCC 1873470282 DVHDFXMCQVEHIX-JANXZALHSA-N 430.508 5.451 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C(C)(C)C)c2)cc2c(NCCCCCCO)ncnc21 1873642964 SLWWJAAVVDGUQY-UHFFFAOYSA-N 449.599 5.132 30 10 IKEE Cc1cccc(OCc2nnc(SCCc3ccccc3)n2/N=C/c2cccn2C)c1C 1874324396 CXJZOCKSFVJTGI-YZSQISJMSA-N 445.592 5.029 30 10 IKEE Clc1ccccc1CSc1nnc(CCOc2ccccc2)n1/N=C/c1ccccn1 1874346351 KTBWZPJUGKWSTC-WGOQTCKBSA-N 449.967 5.123 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2/N=C/c2ccccc2O)cc1 1874356002 MKOFMPSHXJDZIJ-JVWAILMASA-N 442.588 5.674 30 10 IKEE CCc1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SCc2cccc(F)c2)cc1 1874374743 LZYHTAKLGBNNAN-LQKURTRISA-N 448.542 5.884 30 10 IKEE Cc1ccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2cccc([N+](=O)[O-])c2)cc1 1874406605 RWLIPDSWIWBQID-PCLIKHOPSA-N 449.580 5.792 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCC)cc1OC 1874407328 QOGXDLMOPOVZHD-XIEYBQDHSA-N 444.645 5.973 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2cccs2)c1 1874421282 DNLJHKLNZDMJGP-LPYMAVHISA-N 435.534 5.398 30 10 IKEE CCN(CC)C(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874425454 JYQVQRLHFWBVKT-YZSQISJMSA-N 449.624 5.085 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2-c2ccccc2)cc1 1874425486 LNJKJHDHIXYKSV-OVVQPSECSA-N 442.588 6.217 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2ccccc2)c1C 1874425880 FUXQOKHSKGRHKW-WGOQTCKBSA-N 441.560 5.175 30 10 IKEE Clc1cccc(CSc2nnc(-c3ccccc3)n2/N=C/c2ccccc2Cl)c1 1874430731 VOWOLIPDPFUDIP-AFUMVMLFSA-N 439.371 6.426 30 10 IKEE Cc1ccccc1CSc1nnc(CC(C)(C)C)n1/N=C/c1ccc2c(c1)OCCO2 1874437258 SAEHAMYTCNKJGT-MFKUBSTISA-N 436.581 5.121 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874437392 YOULTBWRLZTNFJ-YDZHTSKRSA-N 427.505 5.089 30 10 IKEE CC(C)COC(=O)CSc1nnc(C2CCCC2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874457601 XEZAVTYYYIZOKQ-AFUMVMLFSA-N 442.629 5.407 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1/N=C/c1ccccc1C 1874464437 JWMCAZJPWQXMHO-MFKUBSTISA-N 445.548 5.022 30 10 IKEE O=C(O)c1ccccc1/C=N/n1c(SCc2cccc(Cl)c2)nnc1-c1ccco1 1874468442 IHLWZUKLNYKSPD-FSJBWODESA-N 438.896 5.064 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CCOC)nnc2SCc2cccc(C)c2)cc1 1874471676 RGNPXIVYVNYSNQ-KOEQRZSOSA-N 438.597 5.129 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1/N=C/c1ccc(CC)cc1 1874481158 SUIMMOAYEZZHJX-WGOQTCKBSA-N 449.624 5.413 30 10 IKEE Cc1ccc(CSc2nnc(C(C)C)n2/N=C/c2ccc(Br)cc2)cc1 1874508899 ATRAJFMDLFTMRK-WSDLNYQXSA-N 429.387 5.647 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(SCc2cccc(F)c2)nnc1C(C)C 1874511842 CWBXLBQADJYFMC-VULFUBBASA-N 434.540 5.877 30 10 IKEE COc1cccc(/C=C/C(=O)c2cccc(Br)c2)c1OCc1ccc(C)cc1 1874575322 HDZZMOCRZGRSQL-BUHFOSPRSA-N 437.333 6.241 30 10 IKEE COc1cccc(/C=C/C(=O)c2cccc(Cl)c2)c1OCC(=O)Nc1cc(C)ccc1C 1874577374 KUFRNQASISVUMP-OUKQBFOZSA-N 449.934 5.879 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1cccc2ccccc12 1874583303 HEFWYDDILMGCRC-WYMLVPIESA-N 449.978 6.417 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccccc2/C=C/C(=O)c2c(C)c(C)cc(C)c2C)c1 1874587135 WVNIQJVVHAMQEZ-BUHFOSPRSA-N 441.571 6.451 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cccc(OC)c1OCc1ccc(F)cc1 1874588969 NGZGVSGYTFGBPE-FMIVXFBMSA-N 440.898 6.280 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 1874606101 VXVFHGNABVFCLG-YCRREMRBSA-N 446.261 6.516 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OCc1ccccc1Cl 1874618890 YAPQFDYTPXAUQG-BUHFOSPRSA-N 446.974 7.169 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1Cl 1874626056 KEFCJISGOPQEQA-UXBLZVDNSA-N 441.861 5.840 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OCc1nc(O)c2ccccc2n1 1874633142 NOBYGAGFKNJSNJ-FMIVXFBMSA-N 440.499 5.436 30 10 IKEE Cc1ccc(COc2ccc(/C=C/C(=O)c3c(C)cc(C)cc3C)cc2Br)cc1 1874633978 FKANCGGWCVYGTL-PKNBQFBNSA-N 449.388 7.158 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)cc([N+](=O)[O-])c1OCC 1874637058 GNGMPLCZJWMENM-VOTSOKGWSA-N 440.279 5.604 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3c(F)cccc3Cl)c2)cc1OC 1874693985 GUADNDDLUWZYHX-PKNBQFBNSA-N 440.854 5.612 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cccc(Br)c3)c2)cc1 1874694495 GOKLQQPUVOLKJA-SDNWHVSQSA-N 435.317 6.127 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@H]3C[C@H]3c3ccccc3Cl)c2)cc1 1874698174 ZMFBJBGQUGGRJR-ZXARYOAHSA-N 432.903 5.954 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3c(F)cccc3Cl)c(Cl)c2)cc1 1875099849 BQVZZVFUHFNTBP-XYOKQWHBSA-N 443.301 6.810 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3Cl)c([N+](=O)[O-])c2)c1 1875101537 FOLQMUUOJZJGQA-PKNBQFBNSA-N 437.835 5.372 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1cccs1 1875106013 XVKRVHUPWYUSNC-XBXARRHUSA-N 433.312 6.179 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccn3)c([N+](=O)[O-])c2)cc1 1875106229 IQYSKLMHPQCPRZ-GXDHUFHOSA-N 430.460 5.448 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)cc3F)c(Cl)c2)cc1 1875114214 OOYKPDGPJBDKKU-WTDSWWLTSA-N 442.845 5.671 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3OC)c(Cl)c2)cc1 1875114218 OVBNJRVMEMANAY-NTUHNPAUSA-N 436.891 5.401 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc(Cl)c3)cc2Cl)c1 1875121160 CHKLNKRELJOOQS-CSKARUKUSA-N 427.283 6.117 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)c1cccnc1 1875124901 HUCPJVLDXWQOQL-VMPITWQZSA-N 443.833 5.527 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)c1sccc1C 1875159892 PQUIYZLHLHFTAN-RUDMXATFSA-N 444.911 6.363 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C)cc(C)c3OC)cc2)c1 1875169971 WQPVEIAJPNHICE-SDNWHVSQSA-N 430.500 5.826 30 10 IKEE C=CCn1c(C(=O)N(CC)CCCC)cc2c(NCCCCc3ccccc3)ncnc21 1875230085 OGARAYFQUCGQIK-UHFFFAOYSA-N 433.600 5.314 30 10 IKEE CCCCCCCCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n1CCCC 1875237786 PAWWNVIRJCFPAE-UHFFFAOYSA-N 438.616 5.628 30 10 IKEE COc1ccccc1OCC#CCNC(=O)CCc1cc(C(C)(C)C)cc(C(C)(C)C)c1 1891163105 QABPDEJGTFFFCS-UHFFFAOYSA-N 435.608 5.421 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C1 1944698498 RTHCBZKWPUWGGO-QFBILLFUSA-N 449.979 5.621 30 10 IKEE CCN[C@H](CC#CC1CCCCC1)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1946524194 WWVYRQUEOJNURM-RPWUZVMVSA-N 428.617 5.048 30 10 IKEE CCCCCCCCCC[C@H](O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1947508232 UKXUGYKMRXAKLI-RPWUZVMVSA-N 435.649 6.378 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1csc(Cl)c1 1948779093 GHGJQCIXMJDUIY-AWEZNQCLSA-N 427.751 6.170 30 10 IKEE CCCCCCC[C@@H](O)[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1975117228 PKHQAXKDKVXQFT-BVAGGSTKSA-N 439.552 5.090 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C1(C)C 2014800764 MAWKNTNPEZASJL-DEOSSOPVSA-N 435.609 5.628 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2031501528 ZQNUAWICUUTYLL-CYFREDJKSA-N 447.551 5.687 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C 2032000332 NZTWFXITTHVGEV-MHPIHPPYSA-N 443.588 5.664 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c3ccccc3F)[C@H]2C1 2032045389 RXJZOVQZYBAOLS-UAVUOLJFSA-N 445.535 5.106 30 10 IKEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2032560712 ISBBQQRFJRGZFM-OSPHWJPCSA-N 447.551 5.497 30 10 IKEE COc1cccc([C@@H](CN=Cc2cc(C)n(C3CC3)c2C)c2c[nH]c3ccccc23)c1OC 2040497197 DODKOPWPASHMAM-XMMPIXPASA-N 441.575 6.189 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2046018676 KDRFGMIUHBBLLS-OJJCSPDDSA-N 445.535 5.153 30 10 IKEE CCN1CC(=Cc2ccc(Cl)cc2Cl)C(=O)C(=Cc2ccc(Cl)cc2Cl)C1 2052963857 PNRCZERKCUVEHU-UHFFFAOYSA-N 441.185 6.672 30 10 IKEE CCOc1ccc(N=c2[nH]c3ccccc3nc2N=C2CC(C)=NN2c2ccccc2)cc1 2053650888 QVOXQTGXYCYTMD-UHFFFAOYSA-N 436.519 5.510 30 10 IKEE Cc1cc(C)c([C@@H](C2CC2)n2nc(C3CC3)c(/C=N/O)c2I)cc1C 2078994350 NISMJLXZVAKMAT-SKFLCBSZSA-N 449.336 5.098 30 10 IKEE Fc1cccc(C(F)(F)F)c1-c1c(C(F)(F)F)nn(C2CCCC2)c1Br 2080760223 LATONTNCXZVXQV-UHFFFAOYSA-N 445.176 6.604 30 10 IKEE N#Cc1cnc2c(-c3ccc(C(F)(F)F)cc3Cl)c(C(F)(F)F)nn2c1Cl 2081427478 RXSQVKCNYAWIIK-UHFFFAOYSA-N 425.119 5.612 30 10 IKEE CCCC#CC[C@@H](NCCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2083436226 HVAZXCFXXHFNSA-SQHAQQRYSA-N 442.644 5.392 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Br)c1C)NCC 2087424314 MZUBRRVEYWBABW-OALUTQOASA-N 425.411 5.138 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@]1(C#N)CN(Cc2ccccc2)[C@]2(CCCOC2)C1 2100055809 PTUBAXJNHJGWSP-KAYWLYCHSA-N 447.579 5.146 30 10 IKEE C=CCC[C@H](C)[C@H](NCCC)[C@@H](O)c1scc(Br)c1Br 2158324324 PBIAAPPWGIWONG-LEWSCRJBSA-N 425.230 5.277 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H](CNc1ccc(C#N)c(Br)c1F)C2 2162288514 STSRCWFPMXKTFS-XMQYKBBCSA-N 438.341 5.050 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@@]21CNc1cc(Br)c(C#N)cc1F 2162331047 XJUXDOORRWLEPN-JLTOFOAXSA-N 438.341 5.051 30 10 IKEE C=CCCCC[C@H](NCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2179678338 DCHOGXWMTGNYBC-VQTJNVASSA-N 439.438 5.609 30 10 IKEE CC(C)(C)OC(=O)NCCCc1cccc(Nc2cccc(Br)c2C#N)c1 2204093179 GUEJWOHJHHETOJ-UHFFFAOYSA-N 430.346 5.522 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Br)cc([C@H](N)C#Cc2cccc(Cl)c2)c1 2230998519 FBFYIOHGMFMREB-GOSISDBHSA-N 435.749 5.501 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCC[C@@]2(C#N)Nc2cccc(Br)c2)C1 2233751174 KHIOYCABBZBONJ-KLHJMIIUSA-N 434.378 5.180 30 10 IKEE CC(C)(C)OC(=O)NC1(CC[C@@H](O)C#Cc2ccccc2Br)CCCCC1 2235739778 KBZXYJYRDVOVKQ-SFHVURJKSA-N 436.390 5.169 30 10 IKEE Cc1cc(OCc2ccccc2)ccc1NC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2267481010 JBQFNPBNWPCIRF-UHFFFAOYSA-N 449.381 5.187 30 10 IKEE C=CCCN(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(C)C)c1 2267575918 HUEWFJPDEGSSRP-UHFFFAOYSA-N 433.401 5.328 30 10 IKEE O=C(C#Cc1ccc(Br)cc1)c1cc(Br)ccc1Br 2278785011 DEQNWGGOOHNLDP-UHFFFAOYSA-N 442.932 5.209 30 10 IKEE CC(C)(C)OC(=O)NC1(c2ccc(Nc3c(Br)cccc3C#N)cc2)CC1 2285188879 XXJZMJFDKIKFBO-UHFFFAOYSA-N 428.330 5.578 30 10 IKEE CCCCN(CCCC)C[C@@H](O)Cn1cc(C=CC(=O)c2cccs2)c2ccccc21 2297359250 DPWWHDCODBZROS-JOCHJYFZSA-N 438.637 5.862 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@](C#N)(N(C(=O)OC(C)(C)C)C1CCCCC1)C2 2305675367 ITOFJROSUHLPIX-WVMBUTMQSA-N 433.593 5.238 30 10 IKEE O=C1C(=Cc2ccccc2Br)Oc2cc(OCc3cccc(Cl)c3)ccc21 2314437349 KEBPCZXWMSTIGE-UHFFFAOYSA-N 441.708 6.298 30 10 IKEE CCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1N=Cc1ccc(C(C)(C)C)cc1 2320959054 QCWRCRLCZMCSRV-UHFFFAOYSA-N 449.624 5.368 30 10 IKEE Cc1c(OCc2ccc(Cl)cc2Cl)ccc2c1OC(=Cc1ccccc1F)C2=O 2321784440 UUMXVKBNLCVBKI-UHFFFAOYSA-N 429.274 6.636 30 10 IKEE Cc1c(OCc2ccc(Br)cc2)ccc2c1OC(=Cc1cccc(F)c1)C2=O 2321844738 ZAYMPQAGHVQNKD-UHFFFAOYSA-N 439.280 6.092 30 10 IKEE Cc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCc2c[nH]c3ccccc23)C4)o1 2321911753 PNFUCHOHECXJPH-UHFFFAOYSA-N 440.499 5.389 30 10 IKEE COc1ccc(CN2COc3cc(C)c4c(c3C2)OC(=Cc2cccs2)C4=O)cc1OC 2322210988 YLOFFURJKSUYBI-UHFFFAOYSA-N 449.528 5.042 30 10 IKEE CCOc1ccccc1C=C1Oc2c(cc3c(c2C)OCN(Cc2cccs2)C3)C1=O 2322308491 ZJOJDDPSSUMCCD-UHFFFAOYSA-N 433.529 5.424 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2cc(C)ccc2C)cc1OC 2322346769 ALUXBDPGXRRXNJ-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(Cl)cc2Cl)c1OCc1cccc(F)c1 2322391208 MFRJZHQVIBAOJQ-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCc2ccccc2Cl)cc1 2322455515 XMCAIINXMRURJM-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE Cc1cc(OC(=O)c2cccs2)cc2c1C(=O)C(=Cc1ccc(-c3ccccc3)cc1)O2 2322667765 NTXUVVMAFHLUJR-UHFFFAOYSA-N 438.504 6.559 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1 2322687543 XKZAXQAQNKWLKQ-UHFFFAOYSA-N 439.382 7.766 30 10 IKEE CCOc1ccc(Br)cc1C=CC(=O)c1cc(Cl)cc(Cl)c1OC 2322828363 PKWOUKNTEORSLC-UHFFFAOYSA-N 430.125 6.059 30 10 IKEE Cc1ccc(NC(=O)COc2ccccc2C=CC(=O)c2c(C)cc(C)cc2C)c(C)c1 2322941973 KHKIWQMYTFMWBL-UHFFFAOYSA-N 427.544 6.142 30 10 IKEE CC(=O)Nc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=CC=Cc2ccccc2)C3=O)c1 2322969168 HYFQUZYVDDIMTI-UHFFFAOYSA-N 439.467 5.345 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1cccc(C=CC(=O)c2ccc3ccccc3c2)c1 2323047499 GASSMYJBSXONGS-UHFFFAOYSA-N 435.523 6.370 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2OC)cc1OCc1ccc(Cl)c(Cl)c1 2323099470 FTUWGIRONIDTED-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)c1 2323177862 ZTGVJLJFKQACOT-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)c(C)c1 2323302508 PCBDVCKOXBSCQE-UHFFFAOYSA-N 425.355 7.394 30 10 IKEE C=CCOc1c(Br)cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1OCC 2323434658 XBMWCROOWBKJKI-UHFFFAOYSA-N 441.365 6.188 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)ccc1OCC(=O)Nc1ccccc1 2323503258 CAPTZPFFSOKBOZ-UHFFFAOYSA-N 431.488 5.008 30 10 IKEE CCCOC(=O)COc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1Cl 2323581479 KHPLYYCOECQZAI-UHFFFAOYSA-N 437.717 5.331 30 10 IKEE CSc1nnc(COc2ccccc2)n1N=Cc1c(Cl)ccc(Cl)c1Cl 2323594830 NMQHKKAEEHXUNY-UHFFFAOYSA-N 427.744 5.421 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Br)cc2)cc(Br)c1OC 2323594910 STQWGBROCUEJBL-UHFFFAOYSA-N 426.104 5.125 30 10 IKEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccc(F)cc1 2323675096 FSELPIJNHSUIOE-UHFFFAOYSA-N 437.423 5.226 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OCc1ccccc1Cl 2323739149 NONJUZMUKQMXKZ-UHFFFAOYSA-N 428.862 6.492 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2F)cc(OC)c1OCc1ccc(F)cc1 2323743741 VVSUUGOCRZWEPC-UHFFFAOYSA-N 438.445 6.316 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1 2323813647 NFOGSYZEYFFTJK-UHFFFAOYSA-N 437.333 6.241 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2C)C3=O)cc1 2323889548 AHXVCWBKMDBLFK-UHFFFAOYSA-N 442.467 5.454 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 2323933561 IPFRTEKUPGXQDZ-UHFFFAOYSA-N 435.451 5.998 30 10 IKEE CN(Cc1c(O)ccc2c1OC(=Cc1ccccc1OC(F)F)C2=O)C1CCCCC1 2324073669 NXFUGTODJVTFIP-UHFFFAOYSA-N 429.463 5.374 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OCc3ccccc3C)c(OC)c2)cc1F 2324110047 PTQVTXHWOAZQTH-UHFFFAOYSA-N 436.479 5.635 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc(F)c2)c([N+](=O)[O-])c1)c1cccc2ccccc12 2324140135 XZUBKPNLFHYHKR-UHFFFAOYSA-N 427.431 6.362 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Cl)c1OCc1ccccc1F 2324244964 HBRDKXKUPJVULJ-UHFFFAOYSA-N 446.852 6.631 30 10 IKEE O=C1C(=Cc2ccc(-c3ccccc3)cc2)Oc2cc(OCCCc3ccccc3)ccc21 2324269009 VFQTWPVOYSAUBF-UHFFFAOYSA-N 432.519 6.981 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4Cl)ccc3C2=O)cc1 2324388933 LGGZCKKDSGQCNV-INIZCTEOSA-N 433.891 5.671 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2cccs2)C3=O)cc1 2324484297 VKESSDJJSDWTDS-MRXNPFEDSA-N 433.529 5.641 30 10 IKEE N#C[C@H](C(=O)C=Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccccc2)cs1 2324494736 AOJYOXCOZASRIX-XMMPIXPASA-N 436.536 6.279 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O 2325141665 ACEWOQYZVLLKAI-KRWDZBQOSA-N 431.463 5.465 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCCC(=O)Nc4ccccc4)ccc3C2=O)cc1 2325474463 CLHJMDFCTCVRIZ-UHFFFAOYSA-N 429.472 5.109 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(C(F)(F)F)cc3)c2)cc1 2325719655 JOKIHHZZULXZDZ-UHFFFAOYSA-N 426.390 5.829 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccccn3)c2)cc1 2325751965 RJJYBSADZLJHIA-UHFFFAOYSA-N 443.543 6.546 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1cc(Cl)ccc1O 2327571134 JPYNJWZRVKYLFO-UHFFFAOYSA-N 435.336 5.030 30 10 IKEE CCCCC1CCC(c2nnc(SCCc3ccccc3)n2N=Cc2ccco2)CC1 2328171466 LVCAFCFJMKKUCJ-UHFFFAOYSA-N 436.625 6.552 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3cccc(C)c3)n2N=Cc2ccncc2)cc1 2328564187 IKTNCLOPQZSRJT-UHFFFAOYSA-N 443.576 5.146 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2C)n1N=Cc1ccccc1OC(C)C 2329485074 KWRLYEOWEWJASE-UHFFFAOYSA-N 434.609 5.709 30 10 IKEE CCCSc1nnc(Cc2ccccc2F)n1N=Cc1c(OC)ccc2ccccc12 2329761633 LIZKVQFJTHAVNS-UHFFFAOYSA-N 434.540 5.554 30 10 IKEE CCCSc1nnc(CCc2ccccc2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2330202956 GCXQTLDXEJKWTL-UHFFFAOYSA-N 429.933 5.009 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(Cc2cccs2)n1N=Cc1ccc[nH]1 2330448216 AZSHAINIGLSOPA-UHFFFAOYSA-N 431.949 5.226 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)cc1)c1ccc([N+](=O)[O-])cc1 2331018208 KCGVDUNVMJZUHN-YADHBBJMSA-N 447.874 5.853 30 10 IKEE CCc1ccc(C=Nn2c(SCC(=O)Nc3ccccc3C)nnc2C2CCCC2)cc1 2331046925 CMCGMZZMRATPRT-UHFFFAOYSA-N 447.608 5.420 30 10 IKEE Fc1cccc(CSc2nnc(C3CCCC3)n2N=Cc2ccc3c(c2)OCCO3)c1 2331048542 YQOBMGXMGQOWMA-UHFFFAOYSA-N 438.528 5.021 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)[C@@H](C)c2ccccc2)c([N+](=O)[O-])c1 2331069313 ZZRJSHFUDNSLJK-KRWDZBQOSA-N 431.444 5.209 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)c1ccc(C)cc1 2331118964 RCEGHYUSTSTFTP-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)[C@H]3C[C@H]3c3ccccc3Cl)cc2)c1 2331318538 WLSNPTZWTSBYHC-ZEQRLZLVSA-N 430.931 6.562 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1N=Cc1cccc(C)c1 2331318587 DNNMBFVVVIYDMR-UHFFFAOYSA-N 435.597 5.159 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)COc1ccc(C)cc1C 2331329984 GYYIEJOPGJZWMQ-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE CC(C)Cc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(Cl)cc1 2331477461 SKBWJNVKPLIIEG-UHFFFAOYSA-N 437.371 6.097 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1)c1ccc(F)cc1 2331517561 IFGUCJBHNOIUBO-UHFFFAOYSA-N 430.431 5.088 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1ccc(C=CC(=O)c2ccc(F)cc2)cc1Cl 2331522934 PFWGCFHTKIXGMY-UHFFFAOYSA-N 443.301 6.567 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OC(=O)c1cccnc1 2331589444 FOYOYSFMBMEEHF-UHFFFAOYSA-N 445.515 5.646 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1C 2331643625 JMLXAOLFPZIIOS-UHFFFAOYSA-N 429.472 5.944 30 10 IKEE C=C(C)CSc1nnc(CCC)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2331649501 YAHWCAZAIBFMHT-UHFFFAOYSA-N 441.000 6.013 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)cc2OC)cc(OC)c1OC(=O)C1CCC1 2331729156 FKEFDIADFZPBEK-UHFFFAOYSA-N 436.504 5.043 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(C(F)(F)F)cc3)cc2)c(C)c1 2331764219 LWCOQLLVJCGZTG-UHFFFAOYSA-N 438.445 6.746 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2ccc(OC(C)=O)c(Br)c2)cc1Cl 2331812329 AIGNBJMSQRQSHG-UHFFFAOYSA-N 444.108 5.586 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(Nc2cc(NC(=O)OC(C)(C)C)ccc2C)n1 2337024691 FLGOECALURSXAD-UHFFFAOYSA-N 439.365 5.088 30 10 IKEE C=CCn1c(COc2ccc(Cl)c(C)c2)nnc1SCC(=O)Nc1cccc(C)c1 13848502 ZQELSSZFWLBMRF-UHFFFAOYSA-N 442.972 5.044 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccc(Cl)cn2)nnc1-c1ccc(C(C)(C)C)cc1 14101787 UOGVJSFOOODSBB-UHFFFAOYSA-N 441.988 5.208 30 10 IKEE CCSc1nc2n(n1)[C@@H](c1cccc(Oc3ccccc3)c1)C1=C(CC(C)(C)CC1=O)N2 19645042 HSRHBQFDVIAOJK-QFIPXVFZSA-N 446.576 5.841 30 10 IKEE CC(C)Oc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc3ccccc23)cc1 21225095 ZJBMQWPPZOSTMW-GBXCKJPGSA-N 425.528 5.631 30 10 IKEE Cc1ccc(/N=C2/NC(=O)S/C2=C\c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 33568082 QXBYHCJWIUXUEQ-WQRHYEAKSA-N 429.328 7.089 30 10 IKEE CCOc1cc(/C=C2\C(=O)ON=C2C)cc(Br)c1OCc1ccc(C)cc1 33853565 WRMSIYKMMAFMCP-MFOYZWKCSA-N 430.298 5.051 30 10 IKEE C=CCN(Cc1csc(COc2cccc(Cl)c2)n1)C(=O)c1ccc(OC)cc1 36106820 CGKZQZZCJJIKRF-UHFFFAOYSA-N 428.941 5.213 30 10 IKEE Cc1c(C(=O)c2sc3cccc(Cl)c3c2Cl)c(O)n(C2CCCC2)c(=O)c1C#N 38617703 NIYTXUHDEBNARJ-UHFFFAOYSA-N 447.343 5.602 30 10 IKEE CCCCCCn1c(O)c(C(=O)C(c2ccccc2)c2ccccc2)c(C)c(C#N)c1=O 38627353 VXCGUWKUCWGOIG-UHFFFAOYSA-N 428.532 5.329 30 10 IKEE O=C1/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)Oc2ccc(Br)cc21 39842548 XTMHWMUPIGHFLC-ZDLGFXPLSA-N 435.195 6.344 30 10 IKEE C=CCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccccc2)cc1 39876386 BNIQVHONMPICAP-QHCPKHFHSA-N 427.431 5.247 30 10 IKEE C=C(C)C(=O)NCCCc1nc2ccccc2n1CCOc1cc(C)c(Cl)c(C)c1 40210181 GAOVIXYPIJHUAB-UHFFFAOYSA-N 425.960 5.010 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)cc1 41285229 JZRZCDRQXWMJHO-JLPGSUDCSA-N 442.511 6.137 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2C)C3=O)c1 41292737 DJRKZXHSHPUVKZ-QRVIBDJDSA-N 430.456 5.156 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OC(=O)c4cc5ccccc5o4)ccc3C2=O)c2ccccc21 41352736 CLHPIKVHRGACHB-QFEZKATASA-N 449.462 6.243 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OCC(=O)OCc4ccccc4)c3C)C2=O)cc1 41432537 OYNBWLUBOBFNFZ-IWIPYMOSSA-N 428.484 5.296 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2)S/C(=N/N=C\c2ccccc2O)N1Cc1ccco1 47138102 BGERQYADOWALHU-SKPWDWTKSA-N 437.908 5.145 30 10 IKEE CN(CN1C(=O)/C(=N/c2ccc(Br)cc2)c2ccccc21)C1CCCCC1 59378812 WNIOEZUPGLEGHO-DARPEHSRSA-N 426.358 5.139 30 10 IKEE CC1=NN(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)/C1=N\Nc1cccc(Cl)c1 59461769 PDHNPPFFMFTIPR-ULJHMMPZSA-N 430.320 5.308 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OCc4ccccc4C)cc(C)c3C2=O)cc1 62942259 NTKHWRBLYNWBQA-QQXSKIMKSA-N 427.544 6.345 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccccc3)CO4)C2=O)cc1 62993135 GQSQHJFVDQMRIV-QQXSKIMKSA-N 440.543 5.501 30 10 IKEE CCCCCCCOc1ccc(NC(=O)c2cccc(OCCOc3ccccc3)c2)cc1 100162070 AAJBAPIZHGMBSU-UHFFFAOYSA-N 447.575 6.746 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)N1CCC(C(=O)OCC)CC1 100444232 UVNJZKXVNNNTPJ-UHFFFAOYSA-N 426.667 5.364 30 10 IKEE CCCCCCCCc1c(C)nn(C(=O)COc2ccc(C)cc2Br)c1C 100458819 XJWSIWQBTNDOPA-UHFFFAOYSA-N 435.406 6.193 30 10 IKEE CCOC(=O)C1=C(Nc2ccc(C)cc2)S/C(=C/c2ccc(N(CC)CC)cc2)C1=O 101647271 MEQUTJZTPBHKBG-LTGZKZEYSA-N 436.577 5.385 30 10 IKEE CCCCCOc1ccc([C@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2c2cc(C)on2)cc1 102621437 MEOYOBMIGCKVMI-FEYWKWKCSA-N 446.503 5.178 30 10 IKEE CCCCCCCCCCCC(=O)Nc1scc(-c2ccc(C)cc2)c1C(=O)OCC 106592373 ZTNFAPGDQMFBIQ-UHFFFAOYSA-N 443.653 7.760 30 10 IKEE CCCCCCCC/C=C\CCCCCCCCC(CC)(C(=O)OCC)C(=O)OCC 109620513 UJXAEQUPRRGRMR-NXVVXOECSA-N 438.693 7.937 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(OCc3ccc(F)cc3)cc2)NC(=S)N1 169937990 PYBXBGFWEZPQBP-HSZRJFAPSA-N 432.520 5.080 30 10 IKEE CCCCCCCCCOc1ccc(C2=NN=C3C4CCN(CC4)[C@H]23)cc1Br 169940371 YZZVAEQJLKYFPF-QHCPKHFHSA-N 446.433 5.831 30 10 IKEE CN(C)c1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2C2CCCCC2)cc1 169956928 XYMFMKQQICORFE-DEOSSOPVSA-N 444.531 5.410 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccc(O)cc2)cc1C 169960155 FTZZWJZCIXXRBL-AREMUKBSSA-N 449.506 5.945 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccc(O)cc2)c(C)c1 169960810 WZQOWETVVSJBMI-XMMPIXPASA-N 443.499 5.109 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc(C)c2)cc1 169969382 ZZBVQSNYSIPWOF-DEOSSOPVSA-N 427.500 5.485 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2nc3ccccc3[nH]2)c1 169973154 ZBYJHPQZTJBDHF-HSZRJFAPSA-N 437.499 5.271 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccco2)cc1Cl 170092057 DFNFNWRBYQFDMP-NRFANRHFSA-N 448.862 5.206 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2ccc(C)cc2C)=C(N(C)c2ccccc2)C1=O 170094602 KHIGQKOKRABWON-UHFFFAOYSA-N 446.635 6.660 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2sccc2C)ccc1F 170107001 QXZNVBKUFYOOGU-IBGZPJMESA-N 441.911 5.940 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2C2CCCCC2)cc1 170114600 BZLNCMODKOAQJF-HSZRJFAPSA-N 430.504 5.088 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C2CCCC2)cc1 170117112 LKXJGPKCHXEMGB-XMMPIXPASA-N 427.500 5.369 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2OC)c1 170122512 DQHZKLWJTJPVQD-JOCHJYFZSA-N 449.890 5.140 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2cccs2)c(OC)c1 170156130 AMJNHXWWJJWCPS-QFIPXVFZSA-N 449.528 5.165 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2cccs2)ccc1F 170166984 DRHHXROGRCVWOM-FQEVSTJZSA-N 425.456 5.113 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2cccnc2)cc1C 170187059 VFIFYGYGEISWCI-VWLOTQADSA-N 434.495 5.635 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cc(C)cc(C)c3OC)=C(O)C(=O)N2C2CCCC2)c1 170218655 HWVXHXRHYZQQIN-HSZRJFAPSA-N 449.547 5.232 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(F)cc2)cc1C 170241225 FRQWTECPKNZIKE-QHCPKHFHSA-N 449.478 5.294 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccc2F)cc1C 170247975 YTRLJUYWZYSYJG-QFIPXVFZSA-N 435.426 5.065 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc(O)c1)c1cc2cc(Cl)ccc2o1 170260736 QWKUTDNSUHXPEF-OAQYLSRUSA-N 449.846 5.163 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2ccco2)cc1C 170289157 DVMRTICJHKJXFR-QHCPKHFHSA-N 447.487 5.174 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(OC(F)(F)F)c2)[C@@H]1c1ccccc1)c1ccccc1 170370771 MIHFSCAPTWGJSM-HXUWFJFHSA-N 439.389 5.368 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2c[nH]c3ccccc23)cc1Cl 170384550 MXZWWHRDXQLHJX-OAQYLSRUSA-N 432.863 5.506 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(OC(F)(F)F)c2)o1 170401064 NDJRDXQPDQLLEN-IBGZPJMESA-N 443.377 5.270 30 10 IKEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)C(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 170470701 IVFCLGLRPGDYHG-HSZRJFAPSA-N 435.564 5.156 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2Cc2cccnc2)cc1 209984592 LFFWRHKFRKWLKI-OOOPCZGISA-N 438.527 5.383 30 10 IKEE CCOc1ccc(/C=N\n2c(C)nnc2SCc2ccc(C(C)(C)C)cc2)cc1OC 526805646 MQYUDEPBAPNGME-MYYYXRDXSA-N 438.597 5.466 30 10 IKEE CCCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccccc2Cl)cc1Cl 526816517 HOZBJZAAAQGXAG-CFRMEGHHSA-N 449.407 6.111 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1cccc(OCC)c1OC 526826037 RGEUKZGGEHNCFH-MYYYXRDXSA-N 442.560 5.342 30 10 IKEE C[C@H]1CCCC[C@H]1N(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(Br)cc1 586126439 OREPHEOBISGCLS-HRAATJIYSA-N 447.398 5.090 30 10 IKEE CSc1cccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)c1 686952538 ORXRQMSLBKNRNK-GOSISDBHSA-N 433.371 6.177 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCc2ncccc2C1 698409729 VVCYSHDYMODAOF-OAQYLSRUSA-N 428.330 5.037 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698878527 ZBCAFADSLLKPKL-YADARESESA-N 435.609 5.628 30 10 IKEE CCCCCCCCCC[C@H](O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 702385005 RVLDOJLGYWUOOI-IGKIAQTJSA-N 446.676 6.048 30 10 IKEE CCOc1cccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)c1 710705843 CFOOQQLVNAQPNQ-IBGZPJMESA-N 431.330 5.854 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 724029066 PDAGDUFSLCDYNJ-KOSHJBKYSA-N 429.561 5.466 30 10 IKEE CC(/C=C\c1ccccc1)=NNc1nc(SCC(=O)Nc2cccc3ccccc23)n[nH]1 1084138968 OPCWAIRDTYGLFY-CHHRAGOKSA-N 442.548 5.190 30 10 IKEE O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccccc1C=Nc1cccc2ccccc12 1084358875 QCUCSVALGSVPAN-UHFFFAOYSA-N 436.389 7.310 30 10 IKEE C[C@H](CCN(Cc1ccc(C#N)cc1)c1ccc2nc(O)[nH]c2c1)OCc1ccccc1 1191780003 FFXLJLWSUDOUPS-LJQANCHMSA-N 426.520 5.142 30 10 IKEE Cc1ccc(S(=O)(=O)Nc2ccc(C)cc2/N=C/c2cc(Cl)cc(Cl)c2O)cc1 1615730904 QHWXTOSSDUHSJS-WYMPLXKRSA-N 449.359 5.867 30 10 IKEE O=C(O)c1ccc(/C=C2\SC(=Nc3ccncc3Cl)N(C3CCCCC3)C2=O)cc1 1772738898 XIHAFWRZBVOGMR-JKJUGIAJSA-N 441.940 5.370 30 10 IKEE O=C(ON1C(=O)c2ccccc2C1=O)c1cc(Cl)ccc1Sc1ccc(Cl)cc1 1772793132 ULIDFWVLUNCZRK-UHFFFAOYSA-N 444.295 5.513 30 10 IKEE S=C(N/N=C\c1cn(-c2ccc(Cl)cc2)nc1-c1cccs1)Nc1ccccc1 1857810915 HMFLYIUYCOZMBM-QRVIBDJDSA-N 437.981 5.575 30 10 IKEE CC(=O)c1c(C)oc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)c1C#N 1859748898 WUZPANXZNDQGBR-UHFFFAOYSA-N 432.263 5.195 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCSC)NC(=O)CCc1ccc(C)cc1 1861092338 QVOZVKWOFUTYPY-QHCPKHFHSA-N 434.690 5.422 30 10 IKEE Cn1nc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1-c1ccc(F)cc1 1861850351 PRJLHWYYWHSOFM-UHFFFAOYSA-N 431.311 5.516 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2ccccc2)cc1C 1862400915 PKLLZWFCFFSLFY-VWLOTQADSA-N 441.527 5.399 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(OCC)c(OC)c1 1862439255 KAVQQNAKDFSVQI-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCCCCC2)c1 1862443316 OJYVOZPIXOHSEI-QHCPKHFHSA-N 437.967 6.340 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1CCc1ccc(F)cc1 1862443437 PLJJTLBUONPGPA-HSZRJFAPSA-N 449.909 5.609 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(F)c1 1862445217 QYSIZQHIXWEINB-IRLDBZIGSA-N 443.946 6.416 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 1862448666 SEMCGFHTSBGKRB-FQEVSTJZSA-N 440.883 5.159 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1Cl 1862452036 SJCMIACEUYJLAW-ADLMAVQZSA-N 438.738 6.024 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(Cl)cc1 1862470746 VLGWXHIXRJNOGT-SGTLLEGYSA-N 448.744 5.479 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(Cl)cc1Cl 1862498169 BJQLJNWIDHMDDU-XOBRGWDASA-N 432.347 5.987 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccccc2[N+](=O)[O-])cc1 1862533199 JJQGPNJDMGJEMV-LQNXUBFPSA-N 448.519 5.314 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccc(F)cc2F)c1 1862561639 VYWRQXJGLVABCB-QFIPXVFZSA-N 440.490 5.238 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc2ccccc12 1862585059 NKOCOJLKPGTTQF-OAQYLSRUSA-N 440.326 6.133 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cccc2ccccc12 1862631192 LXTRSADTPFEYBD-DEOSSOPVSA-N 443.499 5.337 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(C)cc1 1862659886 FLYBXSUTALPJJP-AHWVRZQESA-N 447.619 7.056 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)c1 1862664263 XYMWMIKNVULVCB-VVMVZBAXSA-N 447.575 5.976 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCC(C)C)cc1 1862668889 JKTFIEFETLDLIR-VWLOTQADSA-N 449.591 6.223 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(CC)cc1 1862687250 IOUYEXWRLCVVQM-RCZVLFRGSA-N 449.591 6.195 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2cccc(C)c2)cc1 1862688498 YJNNYDJKJZRAHR-DEOSSOPVSA-N 433.548 5.695 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862700301 DIRSALQAWXAVIG-XMMPIXPASA-N 449.547 5.395 30 10 IKEE CCOc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(C3CCCCCCC3)C2=O)cc1 1863216542 QUTHOWZFNBUKBJ-UHFFFAOYSA-N 443.547 5.262 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Oc3ccccc3)cc2)=C(c2ccc(F)cc2F)C1=O 1863314949 GEFFLKFUCJXNJF-UHFFFAOYSA-N 432.426 5.135 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C)cc2)=C(c2c[nH]c3ccccc23)C1=O 1863494522 OTGKXXQNIAWRFG-UHFFFAOYSA-N 429.564 6.029 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCN(CC)CC)=C(c2ccc(C)c(C)c2)C1=O 1863607540 HRXKCBIPXISZCB-UHFFFAOYSA-N 441.660 5.065 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@H](C)CC)=C(c2ccc(OCCC)cc2)C1=O 1863683419 MWZOFOBZTYPASR-OAQYLSRUSA-N 442.644 6.084 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCOC(C)C)=C(c2ccc(F)c(C)c2)C1=O 1863790860 RXMSVBCMFUBSEW-UHFFFAOYSA-N 446.607 5.369 30 10 IKEE N#Cc1cc(Br)c(NC(=O)/C=C/c2cccc(Cl)c2)c(Br)c1 1865900998 FSIMEXDECGTODS-SNAWJCMRSA-N 440.522 5.389 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N1[C@H](C(=O)OC)C[C@H]2CCC[C@@H]21 1866342541 OSAWQOKRPHZYTO-DSITVLBTSA-N 435.693 7.191 30 10 IKEE C=CCN(CC=C)c1cc(N2CC[C@@H](c3ccco3)C2)nc(-c2ccc(OCC)cc2)n1 1869339096 LSCHXXQYJXLTDM-OAQYLSRUSA-N 430.552 5.308 30 10 IKEE Cc1ccc(OCC(=O)Nc2c(C#N)nnn2-c2cc(C(C)C)cc(C(C)C)c2)c(C)c1 1870142578 HJKCBAQRTUCFPO-UHFFFAOYSA-N 431.540 5.020 30 10 IKEE C=CCn1cc(OCc2cccc(C)c2)c(=O)cc1CSCc1nc2ccccc2[nH]1 1870168784 FINXMDRZIXPGFA-UHFFFAOYSA-N 431.561 5.231 30 10 IKEE CCCCCCCCn1cc(OCCC(=O)OCC)c(=O)cc1CSC(C)(C)C 1870266532 CENFQHAXGWREFJ-UHFFFAOYSA-N 425.635 5.573 30 10 IKEE C=CCn1cc(OCCCCOc2ccc(C)cc2)c(=O)cc1CN1C[C@H](C)C[C@@H](C)C1 1870319262 DCZQKFCUOIUMDE-DHIUTWEWSA-N 438.612 5.059 30 10 IKEE CCCCCCCOc1cn(C[C@@H]2CCCO2)c(CNc2ccc3cc[nH]c3c2)cc1=O 1870833365 GBAOEWUWLYLGSW-QHCPKHFHSA-N 437.584 5.470 30 10 IKEE CCCCCCCOc1cn(C[C@@H](C)O)c(CNc2cccc(C(F)(F)F)c2)cc1=O 1870835953 CIETUOWRVRUYOT-QGZVFWFLSA-N 440.506 5.209 30 10 IKEE CCCCCCCOc1cn(Cc2ccccn2)c(CNc2ccccc2CC)cc1=O 1870838164 RKVSPGOXDAQZPN-UHFFFAOYSA-N 433.596 5.815 30 10 IKEE C=CCn1cc(OCc2c(C)cccc2C)c(=O)cc1CNc1ccc(F)c(Cl)c1 1870920212 IMUIZHWIEDZJMR-UHFFFAOYSA-N 426.919 5.635 30 10 IKEE C#CCOc1cn(Cc2cccc(C)c2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871004342 ARNLMIJJLAIWDH-UHFFFAOYSA-N 449.554 5.573 30 10 IKEE CCCCCCCCCCn1cc(OCCC)c(=O)cc1CNc1ccc(Cl)cc1 1871105965 IYXNUPVCGKSTAH-UHFFFAOYSA-N 433.036 7.043 30 10 IKEE COc1ccc(CCN2COc3cc(C)c4c(c3C2)O/C(=C\c2ccccc2C)C4=O)cc1 1871345555 KGUUQZIITJCHDT-MYYYXRDXSA-N 441.527 5.323 30 10 IKEE O=C1/C(=C/c2ccccc2Cl)Oc2c1ccc1c2CN(Cc2cccc(Cl)c2)CO1 1871347866 ACBFMIQJCZCWLH-JJFYIABZSA-N 438.310 5.962 30 10 IKEE Cc1ccc(CCN2COc3ccc4c(c3C2)O/C(=C\c2c(F)cccc2Cl)C4=O)cc1 1871348099 QHYGICVBTUSVRS-CFRMEGHHSA-N 449.909 5.798 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)cc(C)c3C2=O)c1 1871375163 WOZFUKCXUGBKMQ-LABNAMAPSA-N 430.887 6.192 30 10 IKEE Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccco2)C3=O)c(C)c1 1871402924 PQGLERNNWUYRLV-QLTNSANVSA-N 431.488 5.535 30 10 IKEE Cc1cccc(OCCCOc2ccc3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)c1 1871406298 QXEOPAMGDFPARI-QFEZKATASA-N 430.456 5.188 30 10 IKEE O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)Oc2cc(OCCOc3ccc(Cl)cc3)ccc21 1871412899 KLYZPPYFPPMVSS-XKZIYDEJSA-N 437.835 5.322 30 10 IKEE CCCCCCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 1871422090 SLWLJPSUBUKCDT-BKUYFWCQSA-N 439.464 5.022 30 10 IKEE CCCC[C@H](Oc1ccc2c(c1C)O/C(=C\c1cn(C)c3ccc(OC)cc13)C2=O)C(=O)O 1871423263 PMMHNVWVVICHEH-PARNTHTPSA-N 449.503 5.134 30 10 IKEE C=CCN(CC=C)c1nc(=NCc2ccccc2C)nc(Nc2ccc(C(C)C)cc2)[nH]1 1871504088 CABOHMMHSQAPRH-UHFFFAOYSA-N 428.584 5.259 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(N3CCCC3)cc2)[nH]c(N2CCCC2)n1 1871678386 LSKZAYYQYSQCGA-UHFFFAOYSA-N 437.636 5.010 30 10 IKEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1cc(C)ccc1C 1871816182 FCEBKLKPGWFUAK-NRFANRHFSA-N 442.625 5.240 30 10 IKEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1872291943 OIZGXGFNBAKRCX-LJQANCHMSA-N 449.016 5.168 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccccc1C)[C@H](C)CC)S(=O)(=O)c1c(C)cc(C)cc1C 1872441085 KEVOLXAMZFZEOH-JPYJTQIMSA-N 442.625 5.150 30 10 IKEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccccc1CC)S(=O)(=O)c1ccc(Cl)cc1 1872474225 DKZIAIXIXUNMRJ-QFIPXVFZSA-N 449.016 5.133 30 10 IKEE C=CCN([C@@H](C(=O)Nc1cc(C)ccc1C)[C@@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872571863 MXSLTRNAQVEAAP-YADARESESA-N 442.625 5.150 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCOCCCC)=C(c2cccnc2)C1=O 1873081998 WHVFNUHESAIKLR-UHFFFAOYSA-N 443.632 5.099 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2)=C(c2cccc(Cl)c2Cl)C1=O 1873343973 DHOHEEADQFLPKC-UHFFFAOYSA-N 445.390 6.546 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(Cl)c2)cc2c(NCCc3ccccc3)ncnc21 1873606957 HPCMNWRIYRBZMY-UHFFFAOYSA-N 431.927 5.178 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)cc2C)cc2c(NCc3ccc(C)cc3)ncnc21 1873641819 NVUWPUCMAGIXLE-UHFFFAOYSA-N 445.954 5.752 30 10 IKEE CSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1c(Cl)cccc1Cl 1874281625 SVKYSGWDJFDUKA-SSDVNMTOSA-N 425.772 5.628 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccccc3Cl)n2/N=C/c2cc(C)ccc2O)c1 1874366269 RBLTUXQJDOOLLB-VULFUBBASA-N 448.979 6.095 30 10 IKEE Cn1cccc1/C=N/n1c(CCc2cccs2)nnc1SCc1ccccc1Cl 1874371430 YTZHYKMHUGEQLU-OEAKJJBVSA-N 442.013 5.291 30 10 IKEE CCCSc1nnc(Cc2ccccc2F)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874376550 CAVXSJNUANNDMF-MFKUBSTISA-N 442.560 5.188 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2-c2ccccc2)c(OC)c1 1874426735 XWMZWRRWELWWBW-CVKSISIWSA-N 448.523 5.276 30 10 IKEE CCc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCC(=O)Nc2ccccc2C)cc1 1874437582 IXYQRXDWBRCXIC-WGOQTCKBSA-N 449.624 5.351 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2c(F)cccc2Cl)nnc1[C@H]1CCCO1 1874453336 HCMHEHBUCPPCOE-QVHMZZSFSA-N 446.935 5.105 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SCC)nnc2C2CCCC2)cc1OCC 1874455204 GFUCHIXFDKMBOP-JJIBRWJFSA-N 430.618 5.898 30 10 IKEE C=C(C)CSc1nnc(C(F)(F)F)n1/N=C/c1ccc(OCc2ccccc2C)cc1 1874460524 USQSRYLHDRQLBK-RPPGKUMJSA-N 446.498 5.735 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2-c2ccco2)cc1 1874468789 XOZOGYXRUWHKNN-BHGWPJFGSA-N 447.322 6.159 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874485391 RRVCBZIHGDGGKD-MFKUBSTISA-N 445.548 5.812 30 10 IKEE Cc1ccsc1/C=N/n1c(SCc2ccc(Cl)c(Cl)c2)nnc1C(C)(C)C 1874485814 NNPWBRZNJNQQQV-LSHDLFTRSA-N 439.437 6.427 30 10 IKEE CCc1nnc(SCc2ccccc2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874527003 RLKKRJBMBYRCDR-YZSQISJMSA-N 428.561 5.594 30 10 IKEE O=C(COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(F)c(F)c1)NCc1ccco1 1874584874 FZQBXCOZGRSLEJ-PKNBQFBNSA-N 447.437 5.302 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cc(Br)cc(OC)c2OC)cc1C(C)C 1874585665 ZJVFSBDEUSHAJU-BQYQJAHWSA-N 433.342 5.803 30 10 IKEE CCOC(=O)c1ccc(COc2cccc(/C=C/C(=O)c3ccc(Cl)cc3Cl)c2)o1 1874593333 DTPFMDKVIXOHHO-UXBLZVDNSA-N 445.298 6.238 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OCC(=O)Nc1cc(C)ccc1C 1874596632 VJELWGRWFADNTM-FMIVXFBMSA-N 443.543 5.842 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccccc3)c2)c1 1874599236 BWMBBKCTKTUOMD-FYWRMAATSA-N 445.515 5.398 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Cl)c1OCc1ccccc1 1874612067 AONKCOLMDVOOTR-VAWYXSNFSA-N 427.327 6.867 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(OC)c(Cl)cc2OC)cc(Cl)c1OCC 1874631015 GCXAGSDUMHOGHG-BQYQJAHWSA-N 425.308 5.704 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2ccc(C)cc2)cc1OC(=O)C1CCCC1 1874702789 JWNOZDQQDVVQMX-VAWYXSNFSA-N 443.337 5.758 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(F)c(C)c3)c2)cc1 1874703868 LNDDEUFFHHKHRY-LFIBNONCSA-N 446.518 6.357 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1OC(=O)c1cccc(F)c1 1874706979 JCGOZXDKSBWNMN-WYMLVPIESA-N 426.443 6.103 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cc(C)cc(C)c3)c2)c2ccccc12 1874718755 VNKNRDODXGISOV-ACCUITESSA-N 436.507 6.581 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(OC)c1OC(=O)c1cccc(C)c1 1875115308 XFOKAWBNRBDMQM-XNTDXEJSSA-N 442.511 5.856 30 10 IKEE CCc1ccccc1OCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2ccccc2)cc1OC 1875128376 WWYMYOJCIQSTMN-CCEZHUSRSA-N 446.499 5.147 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1OCC 1875150804 FLWHLCWQJZXLGM-VQHVLOKHSA-N 430.884 5.459 30 10 IKEE COCC(=O)Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1Br 1875155418 XARBYSLCKWKHFZ-PKNBQFBNSA-N 425.278 5.050 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2Cl)CC1 1875158308 PJSJLRAMKJQCIS-VIZOYTHASA-N 442.958 7.277 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1OC 1875184535 FTMWKBBYWJHHAE-ACCUITESSA-N 442.983 6.946 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1Cl 1875185818 QGWCPFYEQJIBOU-KPKJPENVSA-N 441.310 6.426 30 10 IKEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)[C@H](c1ccccc1)C1CCCCC1 1891113576 KUTQTZKAJHOYOY-HSZRJFAPSA-N 429.482 5.568 30 10 IKEE C=C(COCc1ccccc1)[C@@H](N)c1cc(Cl)c(NC(=O)OC(C)(C)C)c(Cl)c1 1922092756 VWOUUDASQUURIN-LJQANCHMSA-N 437.367 6.113 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1982204769 JLJXADBUVCDDQE-QRQCRPRQSA-N 435.952 5.279 30 10 IKEE CCCN[C@@H](CC#C[Si](C)(C)C)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 1987471393 IGYIYAFOJFMKGJ-HSZRJFAPSA-N 430.709 5.843 30 10 IKEE C=C([C@@H](NCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)[Si](C)(C)C 1997468554 HKFUOKAZJQITIY-RDGATRHJSA-N 446.708 5.242 30 10 IKEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 1999948602 ZZNLUKIJYIXFRJ-QMHKHESXSA-N 433.524 5.106 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(C)C 2004154628 GMKDYDCBTVQGNF-SMIHKQSGSA-N 430.633 5.267 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)[C@H]2C[C@@H]21 2008448528 LNXLHLHJACBEFD-FMKFIRIRSA-N 447.963 5.373 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C)NCCC 2013393862 LOAPTLVXVYAJCC-VJBWXMMDSA-N 430.633 5.457 30 10 IKEE C=CCN(C[C@H](Cc1cc(Cl)cc(Br)c1)NCC)C(=O)OC(C)(C)C 2047967414 JAHXAXLOSHILJQ-KRWDZBQOSA-N 431.802 5.046 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Br)ccc1Cl)NCC 2047968261 QBFQUYHVVQHIQP-IRXDYDNUSA-N 431.802 5.093 30 10 IKEE CC[C@@H](C)N(Cc1ccccc1)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1C(F)(F)F 2052613150 BSMPAGRNNFIYFB-MRXNPFEDSA-N 434.311 5.205 30 10 IKEE CCN1CC(=Cc2ccc(OC(F)F)cc2)C(=O)C(=Cc2ccc(OC(F)F)cc2)C1 2053611817 UBEXLYXACHBLMP-UHFFFAOYSA-N 435.417 5.261 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)c1 2071501045 MNHCZBRDZBCISA-DMJCMNNJSA-N 441.572 5.418 30 10 IKEE CCc1nn([C@H](c2ccc(C)c(F)c2)C(C)(C)C)c(I)c1C#N 2079080687 NFFSKAPEKVEQKZ-MRXNPFEDSA-N 425.289 5.005 30 10 IKEE ON=Cc1c(C(F)(F)F)nn([C@@H](c2ccc(C(F)(F)F)c(F)c2)C2CC2)c1Cl 2079843583 HYQZDCDZHXUNKJ-GFCCVEGCSA-N 429.723 5.521 30 10 IKEE CC(C)c1nn([C@@H](c2ccc(C(F)(F)F)cc2)C2CCC2)c(Br)c1C=NO 2079848036 BWAGVEBDWKDMJK-QGZVFWFLSA-N 444.295 5.985 30 10 IKEE COc1ccc([C@@H](n2nc(C3CCC3)c(C=NO)c2Br)C(C)(C)C)c(C)c1 2079895504 UTGLYINTCUDIKK-LJQANCHMSA-N 434.378 5.674 30 10 IKEE CC1(c2nn([C@H](c3ccc(C4CCC4)cc3)C3(C)CC3)c(Br)c2C=NO)CC1 2079980814 JSSLSLVXQRVCQF-HXUWFJFHSA-N 442.401 6.162 30 10 IKEE CC(C)Oc1ccc([C@@H](n2nc(C3(C)CC3)c(C#N)c2Br)C(C)(C)C)cc1 2080127977 YCKAQVDFKJKKSK-LJQANCHMSA-N 430.390 5.991 30 10 IKEE O[C@H](CNc1cc(Cl)c(C(F)F)cn1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2087926108 DXFWFTFBSWHRCK-GFCCVEGCSA-N 434.714 5.856 30 10 IKEE C=CCCCCCC[C@H](NN)c1ccc(I)c(Br)c1 2141920674 GCNYTPYAODCPEB-HNNXBMFYSA-N 437.163 5.085 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(O)ccc1Br 2144512070 IWESROKOBQBROW-KRWDZBQOSA-N 433.302 5.170 30 10 IKEE CN(Cc1cccc(NC(=O)OC(C)(C)C)c1)Cc1ccc(Br)cc1C#N 2174561102 ZWUQQMVMRBTYKY-UHFFFAOYSA-N 430.346 5.300 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccc(Br)c(C#N)c2)C(F)(F)CC1 2197006471 QFNDAABSXGLZCT-MRXNPFEDSA-N 444.320 5.158 30 10 IKEE C=CCCCCCCC[C@H](NCC)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2220094921 XQNOULDIPBVCSV-PZUNEJSGSA-N 446.676 6.380 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCC3(CC3)N(C(=O)OC(C)(C)C)C2)c1 2220212307 BXHJAGCZKCADND-RUZDIDTESA-N 441.572 5.562 30 10 IKEE N[C@H](C#Cc1ccccc1Br)c1cc(Br)sc1Br 2220278747 GOYHYYCQOXPOAB-LLVKDONJSA-N 449.993 5.087 30 10 IKEE CN[C@@H](C#Cc1ccccc1Br)c1ccc(N(C)C(=O)OC(C)(C)C)cc1 2235725160 NGPUMNXTLBKSNQ-FQEVSTJZSA-N 429.358 5.133 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)C[C@H]2CC[C@H]1C2 2248360542 MSBZIWUJABMXFD-WOLJRWFJSA-N 428.617 5.211 30 10 IKEE CCN[C@H](C#CC1CCCCC1)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2251406266 BIFPRVBFBZMIRW-RPWUZVMVSA-N 428.617 5.048 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)C2(C#N)CCCN(C(=O)OC(C)(C)C)CCC2)c1 2257002887 ZMLOGUDEQDFSFK-UHFFFAOYSA-N 443.588 5.810 30 10 IKEE C=CC[C@H](C)[C@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2262775651 ISLQOCVMHYHBNZ-DWACAAAGSA-N 431.576 6.073 30 10 IKEE Cc1cccc(NC(=O)OC(C)(C)C)c1C(=O)Nc1ccc(C#N)cc1Br 2283395616 LZGKBUZVPYJBRF-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE Cc1ccc(C=C2Oc3cc(OS(=O)(=O)c4ccc(Cl)cc4)ccc3C2=O)cc1 2296871080 JXRFANOIPHASNZ-UHFFFAOYSA-N 426.877 5.032 30 10 IKEE COc1ccc2c(c1)CC[C@H]1C2=NN(C(C)=CC(C)=O)[C@@H]1c1ccc(Br)cc1 2297321000 ZXOVSPPEKNYKJJ-JTHBVZDNSA-N 439.353 5.274 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1ccc(C(=O)C=Cc2ccc(C(C)C)cc2)cc1 2314429224 BITMAOOHRWTZTN-UHFFFAOYSA-N 430.500 5.943 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NC)c2cc(Cl)cc(Br)c2F)C1 2315457487 DAOQEDUPEGVKFB-OAHLLOKOSA-N 433.749 5.116 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccccc1OC(C)C 2321061692 TYQQPYININAEFO-UHFFFAOYSA-N 432.952 5.595 30 10 IKEE COc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(Cc1ccccc1F)C3 2322056823 UOWOXWRBHQQOHQ-UHFFFAOYSA-N 431.463 5.111 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Br)ccc2OCC(=O)N(CC)CC)cc1 2322353603 RRDOCYVLEKFAKO-UHFFFAOYSA-N 444.369 5.155 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccccc2OCC(=O)NCc2ccccc2)cc1 2322391301 OMUNFWHWWXTVNX-UHFFFAOYSA-N 427.544 5.621 30 10 IKEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1ccc(Cl)cc1)Nc1ccc(F)cc1 2322535006 UPKQJMCFDKLXMV-UHFFFAOYSA-N 444.289 6.046 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccccc2OCC(=O)Nc2cc(C)ccc2C)c1 2322659590 XTJVTYXGDPCZSD-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE C=C(C)COc1c(C=CC(=O)c2cc(Cl)c(OC)cc2OC)cc(Cl)cc1OC 2322884326 HZFGZWPQUZZYOM-UHFFFAOYSA-N 437.319 5.870 30 10 IKEE Cc1cc(OC(=O)CCc2ccc(Cl)cc2)cc2c1C(=O)C(=CC=Cc1ccccc1)O2 2323114518 UOSXZDZLAFEGLK-UHFFFAOYSA-N 444.914 6.359 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OCC(=O)NC2CCCCC2)c1 2323332176 DFYJWBCNNYEDGB-UHFFFAOYSA-N 427.928 5.072 30 10 IKEE CCCOc1c(OC)cc(C=NNc2nc(-c3ccccc3)c(C)s2)cc1[N+](=O)[O-] 2323872523 FXHMPRHNBADKFT-UHFFFAOYSA-N 426.498 5.270 30 10 IKEE O=C1C(=Cc2ccncc2)Oc2c1ccc(O)c2CN(Cc1ccccc1)Cc1ccccc1 2324055107 ZZQCVHGHQOTNJH-UHFFFAOYSA-N 448.522 5.606 30 10 IKEE N#C[C@@H](C(=O)C=Cc1ccc(Cl)cc1Cl)c1nc(-c2ccc(F)c(F)c2)cs1 2324688354 XXEPXJFTAXAFCM-AWEZNQCLSA-N 435.282 6.285 30 10 IKEE CCCC[C@H](Oc1ccc2c(c1C)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O)C(=O)O 2324784536 MDSSKFPZNCPTLA-SFHVURJKSA-N 435.303 5.940 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1ccc2c(c1C)OC(=Cc1ccccc1F)C2=O 2325092755 GJAJBRNWFDOBIQ-NRFANRHFSA-N 440.511 6.031 30 10 IKEE CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccccc2)C3=O)cc1 2325435597 WMASJVYGDKBYKC-GOSISDBHSA-N 441.483 5.220 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccc([N+](=O)[O-])cc2)c1 2325471400 QAMBKPSKJRIURL-UHFFFAOYSA-N 443.532 5.260 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(O)c(OCC)c1 2325522064 NLAGZVKTNUHVLB-UHFFFAOYSA-N 428.533 5.039 30 10 IKEE Cc1c(OCCN2CCCC2)ccc2c1OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2325669123 DIXYKOQSDAJAAD-UHFFFAOYSA-N 425.528 5.753 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2325715719 GNJNUYNMWGOHEI-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc1OC(=O)c1cccnc1 2325763022 IOFISZVNMDTTRL-UHFFFAOYSA-N 437.879 5.176 30 10 IKEE CC(C)COc1ccccc1C=Nn1cnnc1SCc1c(Cl)cccc1Cl 2326510347 QSLJIGJHLIJOAB-UHFFFAOYSA-N 435.380 5.794 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1sccc1C 2326524726 AVCHJDZLXPUMBZ-UHFFFAOYSA-N 433.002 5.739 30 10 IKEE C=CCSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1c(F)cccc1Cl 2327383488 AWJZBAHZWIJLKG-UHFFFAOYSA-N 444.963 5.762 30 10 IKEE CCCCC1CCC(c2nnc(SCCO)n2N=Cc2c[nH]c3ccccc23)CC1 2328199315 CYYGXWPTFTWOHS-UHFFFAOYSA-N 425.602 5.190 30 10 IKEE C=CCSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1c(Cl)cccc1Cl 2328568566 IACJRZYQLQYFBL-UHFFFAOYSA-N 447.391 5.735 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3C)n2N=Cc2sccc2C)cc1 2329465547 RMQKBOACSTWMMK-UHFFFAOYSA-N 446.645 6.225 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)cc3)n2N=Cc2ccc(O)c(O)c2)cc1 2329936070 ACLZMGSKTJPVPO-UHFFFAOYSA-N 444.560 5.071 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2cccc(O)c2)cc1 2329941847 WDPWRBCFCNLSSV-UHFFFAOYSA-N 428.561 5.366 30 10 IKEE C=CCSc1nnc(-c2cccs2)n1N=Cc1ccc(OCCCC)c(OCC)c1 2330591912 DKVGNQRBMCXSCZ-UHFFFAOYSA-N 442.610 5.745 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1)c1ccc2ccccc2c1 2330653819 MGIXEQNQUWNXAQ-UHFFFAOYSA-N 428.487 7.108 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccccc2C)cc1 2330807982 BKOLUYKZQYXFIF-UHFFFAOYSA-N 449.668 6.196 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2)cc(Br)c1OC(=O)CC 2330875535 IXNSRPWITCQIQE-UHFFFAOYSA-N 447.325 5.376 30 10 IKEE Oc1ccc(Cl)cc1C=Nn1c(SCc2cccc(Cl)c2)nnc1[C@@H]1CCCO1 2330994443 BXVVPDKNDPKMDW-SFHVURJKSA-N 449.363 5.317 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(Cl)cc2)c(Cl)c1)c1cccc(Cl)c1 2331122973 LWUZPIFNPNINHN-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)c3ccccc3F)c(Cl)c2)c1 2331385943 WMYHPQVDGKNUQD-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE Cc1ccccc1CCC(=O)Oc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1Cl 2331494314 QXYKAZSUHQKGOS-UHFFFAOYSA-N 446.974 7.206 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)C3CCC3)c(Br)c2)cc1 2331497853 HNNCSKHQEFIQLS-UHFFFAOYSA-N 427.338 6.174 30 10 IKEE COCCC(=O)Oc1ccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1Cl 2331594986 YGXQAAVZAWYPHF-UHFFFAOYSA-N 436.891 5.970 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1ccc(CC)cc1 2331709486 ABZKBWZTOFUTKB-UHFFFAOYSA-N 428.528 6.380 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(C)=O)c(Br)c2)c(OCC)c1 2331734384 WSVHOCJVBBYXCX-UHFFFAOYSA-N 433.298 5.068 30 10 IKEE CN(C)c1ccc(C(=O)Oc2ccc(C=CC(=O)c3cc(Cl)ccc3Cl)cc2)cc1 2331859707 OZOUUSWOQDHTLM-UHFFFAOYSA-N 440.326 6.175 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2ccccn2)c(Cl)c1 2331876576 IPQRFLNCHFKHBA-UHFFFAOYSA-N 428.271 5.512 30 10 IKEE CC1(C)OB(c2cc(Cl)cnc2Nc2cc(Cl)cc(Br)c2)OC1(C)C 2339387489 YZQZBCQUSNZFHI-UHFFFAOYSA-N 443.965 5.194 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)ccc1OC 2364633904 WXVMLWVUKATVPQ-PKOBYXMFSA-N 441.410 5.358 30 10 IKEE CCCCCCC[C@H](CO)N(Cc1ccc(COC)s1)C(=O)OCc1ccccc1 2368040950 YTARNBQSMATAOZ-OAQYLSRUSA-N 433.614 5.755 30 10 IKEE Cc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3C2(C#N)C#N)c(C)c1 2761108 KNQJMCSHVHVPRN-VJGNERBWSA-N 429.523 5.588 30 10 IKEE O=C(/C=C\Nc1cccc([N+](=O)[O-])c1)c1cccc(OCc2c(F)cccc2Cl)c1 8857169 NORWHDKICJKJIV-KHPPLWFESA-N 426.831 5.775 30 10 IKEE C=CCN(C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1nc(-c2ccccc2)cs1 14723646 MTEYTIFNTRNJJU-UHFFFAOYSA-N 449.551 5.021 30 10 IKEE Cc1cc(Br)c2c(c1)/C(=C1\S/C(=N\c3ccccc3Cl)NC1=O)C(O)=N2 15015836 FFNCBCYMYCOOCG-FYWRMAATSA-N 448.729 5.274 30 10 IKEE CC(C)c1ccc([C@@H]2C3=C(C[C@@H](c4cccs4)CC3=O)Nc3nc4ccccc4n32)cc1 19630339 MBDNFCLAAFUQDE-NIYFSFCBSA-N 439.584 6.637 30 10 IKEE COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(O)c(OC)c2)c1 20883099 WTFNHJDEGNYJKL-MYUZEXMDSA-N 442.515 5.389 30 10 IKEE COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1Br 21218161 HXVAPYQQHIBRAC-OAQYLSRUSA-N 427.342 5.680 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccccc2OCCSc2ccc(Cl)cc2)SC1=S 27527894 VTJUTJBWERJEPM-RGEXLXHISA-N 448.034 5.898 30 10 IKEE O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(Br)cc1 33907357 PHAVBHNQANEVDS-RAXLEYEMSA-N 435.346 6.259 30 10 IKEE C=CCCC(O)(CCC=C)c1ccc(CN(Cc2cccc(OC)c2OC)CC(C)C)o1 36202338 RFQLEDWFNNVXBE-UHFFFAOYSA-N 441.612 6.075 30 10 IKEE N#Cc1nc(-c2ccc(OCc3ccccc3Cl)cc2)oc1N1CCc2ccccc2C1 39841622 KGPKZWJURXUZLV-UHFFFAOYSA-N 441.918 6.008 30 10 IKEE C=CCc1ccc(OCCCn2c(Cc3ccccc3C)nc3ccccc32)c(OC)c1 40226537 HWWCLXCWIUCWOX-UHFFFAOYSA-N 426.560 6.142 30 10 IKEE C=C(C)COc1ccc2c(=O)c(Oc3ccc(C(=O)OC)cc3)c(C(F)(F)F)oc2c1 41431751 NFDKRMUVPFQENJ-UHFFFAOYSA-N 434.366 5.346 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(C(C)C)cc1)C3=O)CN(Cc1ccccn1)CO2 41587233 PLDJXJQWQZCDLY-MSXFZWOLSA-N 426.516 5.482 30 10 IKEE C[C@@H](c1ccccc1)N1COc2ccc3c(c2C1)O/C(=C\c1cccc([N+](=O)[O-])c1)C3=O 41655334 BYJBMKLMBRNGNM-YOBACFSGSA-N 428.444 5.124 30 10 IKEE CC/C(=N/Nc1nc(SCC(=O)Nc2cccc(Cl)c2Cl)n[nH]1)c1ccccc1 59020490 YDDCLCBFQLXPJO-OYKKKHCWSA-N 449.367 5.069 30 10 IKEE O=S(=O)(Nc1nccs1)c1ccc(/N=C/c2cccc(OCc3ccccc3)c2)cc1 59466930 CVTWAERTXWDGOQ-PCLIKHOPSA-N 449.557 5.274 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)CNc1cccc(C(=O)NC)c1 100107212 RMVMBLPVDQQXDC-UHFFFAOYSA-N 431.665 6.056 30 10 IKEE CCCCCCCCCCCCOC(=O)CCC(=O)OCCCCCCCCCC 100311167 MFZSPBMIGBRLPG-UHFFFAOYSA-N 426.682 7.915 30 10 IKEE CCCCCCCCCCCCCCCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 100451764 PWXFAYXYEBZMGR-UHFFFAOYSA-N 426.623 6.354 30 10 IKEE O=C1/C(=C/NCc2ccc(Cl)cc2Cl)Nc2ccc(Br)c(Cl)c21 100833044 KZROVECMBCWBLY-QPEQYQDCSA-N 432.532 5.649 30 10 IKEE CCCCCCCn1c(/N=C/c2ccc(OC)c3cccc(OC)c23)nc2ccccc21 103018612 DKLSJZDZHRQMPW-TURZUDJPSA-N 429.564 6.928 30 10 IKEE C[C@H](Oc1cccc(C#N)c1)C(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 109728827 JHSWWMVOYVZRSE-INIZCTEOSA-N 440.330 5.256 30 10 IKEE CCCc1n[nH]c(=S)n1/N=C\c1ccc(OCc2ccc(C(C)(C)C)cc2)c(OC)c1 139676393 FIFZBUCIGSWWPP-MYYYXRDXSA-N 438.597 5.660 30 10 IKEE CCCOc1ccc(/C=N\Nc2nc(-c3ccc(OC)cc3)cs2)cc1Br 169940407 VMHVZABTBFACTQ-UUYOSTAYSA-N 446.370 5.816 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2cc(C)ccc2C)=C(O)C(=O)N1c1cccc(C)c1 169941694 SNSIYMCPCJIUOY-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@H]1c1ccc(O)cc1 169960208 SULOKTCRMJIUDM-DEOSSOPVSA-N 443.499 5.109 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2cccnc2)c1 170006119 ASZOUCXNRRASGM-JOCHJYFZSA-N 432.907 5.443 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(O)c(Cl)c2)cc1 170043867 LRONASUZEPDEDR-OAQYLSRUSA-N 425.912 5.129 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@@H]1c1ccc(F)cc1 170061559 PXCVNYDGUOCWHT-HSZRJFAPSA-N 449.453 5.373 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccc(F)cc2)cc1 170063674 KJQDWSGQSIFTEI-RUZDIDTESA-N 448.453 5.633 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2cccc(O)c2)cc1C 170080873 QDDICFVMGLCODO-VWLOTQADSA-N 427.500 5.111 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1cccc(O)c1)c1cc2ccccc2o1 170083020 VJIGBGWSCLNCTJ-HSZRJFAPSA-N 443.430 5.056 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2sccc2C)cc1 170105796 ZCSRFQTYVWANNG-OAQYLSRUSA-N 433.529 5.465 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1cccc(C)c1 170141240 OJISHQIUTWHSKG-HSZRJFAPSA-N 443.499 5.109 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C(C)(C)C)ccc3C)[C@H]2c2cccs2)c1 170156682 FSFRNRBMPQKZCB-HSZRJFAPSA-N 445.584 6.445 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccccn2)cc1C 170172538 SEFITYKFIZMEDX-XMMPIXPASA-N 442.515 5.188 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccncc2)cc1C 170205716 ZGMDHAKWJQNIPS-XMMPIXPASA-N 442.515 5.107 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1ccccc1C 170273169 MOVXDMBOESHXHX-XMMPIXPASA-N 427.500 5.403 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccco2)cc1C(C)C 170287476 MNIGSVUEFLGGMJ-DEOSSOPVSA-N 445.515 5.893 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccco2)c1 170289135 BQISMTNRTKUQFU-HSZRJFAPSA-N 425.440 5.230 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccco1 170293423 PCFJRZGGGJJDCH-IBGZPJMESA-N 429.900 5.161 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(C)o1 170309929 SRQPOCMVAVBORN-SFHVURJKSA-N 432.314 5.119 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1Cc1cccs1 170312611 ABBOGSXOKDVXGV-QGZVFWFLSA-N 429.950 5.550 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1sccc1C 170319449 NDMSPKFZFRDXFZ-FOIQADDNSA-N 425.550 5.148 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1cccc2ccccc12)c1ccco1 170369704 JWRUYGFVVNVRTF-QFIPXVFZSA-N 431.394 5.494 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1cccc2ccccc12)c1ccncc1 170370246 CJRQVPZPMZZWJL-QHCPKHFHSA-N 440.886 5.671 30 10 IKEE CCCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1 170373587 LKDZGCVIRWYCHF-QHCPKHFHSA-N 441.483 5.036 30 10 IKEE CN1/C(=C/C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)C(C)(C)c2ccccc21 205703996 CBXMILCMUNJFAP-XDHOZWIPSA-N 425.941 5.363 30 10 IKEE Cc1ccc(SC2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(F)cc3F)C2=O)cc1 526662958 KYARIRSIMGVPFC-UHFFFAOYSA-N 447.466 5.134 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Br)c2)c1 526706905 BTDULDWLYPPUGX-OAQYLSRUSA-N 448.316 5.540 30 10 IKEE CCOc1ccc(/C=N\n2c(C)nnc2SCc2ccc(Cl)cc2)cc1OCC 526806365 DIVSYRASTKXBRT-QRVIBDJDSA-N 430.961 5.212 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1c(Cl)ccc(Cl)c1Cl 526806629 NSBZKGULKCQMAY-UYOCIXKTSA-N 446.190 6.375 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccc(C(C)(C)C)cc1 526812956 SQSKLCMGXSEKNV-QQXSKIMKSA-N 441.044 6.746 30 10 IKEE C=CCN(CCCOc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586133654 XUGZJNDVMQRRQQ-UHFFFAOYSA-N 434.772 5.293 30 10 IKEE CCCCCCCCNC(=O)CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12 606673349 GNNSCPJAWSCTIP-RUZDIDTESA-N 447.579 5.058 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 698829971 UBSRCAXARSMTDO-WZONZLPQSA-N 449.979 5.763 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CC1 698876937 JWAIXVMPJZMMRK-GLDPYIMESA-N 433.593 5.238 30 10 IKEE N#C[C@H](C(=O)/C=C/Sc1cc(F)ccc1F)c1nc(O)c2c3c(sc2n1)CCCC3 797938875 NVDCTVFZYJRSBY-SBDDDAINSA-N 443.500 5.036 30 10 IKEE O=C(CSc1nc2ccc(N=Cc3ccccc3O)cc2s1)Nc1ccc(F)cc1 1084060556 PJWPGYHEQYVAQM-UHFFFAOYSA-N 437.521 5.622 30 10 IKEE CN1C(=O)C[C@@H](C(=O)Nc2ccccc2Cl)SC1=Nc1cc(Cl)cc(Cl)c1 1084463566 IRZMROUNKLKNKJ-HNNXBMFYSA-N 442.755 5.237 30 10 IKEE COc1cccc(/C(C)=C2\SC(=Nc3ccncc3Cl)N(c3ccccc3)C2=O)c1 1772736595 LWENSRHDYAKCJA-VHDUERLVSA-N 435.936 5.942 30 10 IKEE O=C1/C(=C/c2cccnc2)SC(=Nc2nc(-c3ccccc3)cs2)N1c1ccccc1 1772737342 MKHLQEPMJQEMLK-PAMLCIOASA-N 440.553 6.014 30 10 IKEE CC(C)c1ccc(-n2cc(/C=N\NC(N)=S)c(-c3ccc(-c4ccccc4)cc3)n2)cc1 1857806685 HYZJUZCMEWUWKL-NTFVMDSBSA-N 439.588 5.497 30 10 IKEE CC(C)COc1ccc(CC(=O)Nc2ccc(C(=O)Nc3ccc(C#N)cc3)cc2)cc1 1860884574 DCDXEFHBVYDOCK-UHFFFAOYSA-N 427.504 5.027 30 10 IKEE CCCCCCCCNC(=O)[C@](C)(CC)NC(=O)/C=C/c1ccc(Cl)c(Cl)c1 1861570892 IUHMNIYKVNIMGR-VKXNWWILSA-N 427.416 5.768 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@@H]1c1ccc(OCCCC)cc1 1862394105 IRDCDFVKBJEFFO-VWLOTQADSA-N 447.575 5.972 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@H]2c2ccc(F)cc2F)cc1 1862395799 YTLHWRBIYLPXIL-QFIPXVFZSA-N 427.491 5.686 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(C(C)C)cc1 1862415532 ZNVDUNIRBLIQSQ-JOCHJYFZSA-N 443.490 5.093 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(Br)cc1 1862452997 OSHYOEHKTXJMCC-KZULUSFZSA-N 448.744 5.479 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc(N(C)C)cc2)c1 1862492835 BDKOREZDFBGMLJ-RZPHLTDDSA-N 446.591 5.526 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(Cl)cc1 1862527121 PGWMGZBQLYCZIS-KZULUSFZSA-N 448.744 5.479 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1Cl 1862584229 SLLRADDMZQRTFT-SFHVURJKSA-N 438.738 5.881 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc([N+](=O)[O-])cc1 1862584596 CFZXLAUBIRLJKE-ADLMAVQZSA-N 449.290 5.278 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccco2)cc1 1862592442 CZXXINOAAAHEQG-JOCHJYFZSA-N 431.488 5.061 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2cccc(O)c2)cc1 1862662971 OKUFKORSUPAAFX-XMMPIXPASA-N 445.490 5.433 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 1862691101 YEGHEEUHLKLCRY-LJQANCHMSA-N 434.319 5.236 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1c(Cl)cccc1Cl 1862760568 RDAQIDYHRNSIOW-BBATYDOGSA-N 449.290 5.278 30 10 IKEE Cc1cc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(CCC3=CCCCC3)C2=O)ccc1F 1863461105 SYTIXKNJODHYBQ-UHFFFAOYSA-N 429.495 5.088 30 10 IKEE C=CCOc1ccccc1OCC(=O)N1CCc2ccccc2[C@@H]1CCc1ccccc1 1868119329 QFHXHLVONTXLTD-VWLOTQADSA-N 427.544 5.389 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3ccccc3[C@H]2C(C)C)nc(-c2cccnc2)n1 1869361828 QNKKHGKHLLAJPI-AREMUKBSSA-N 425.580 5.477 30 10 IKEE N#Cc1nnn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1NC(=O)CC1CCCCC1 1870136637 CEBLRDOKVDMCFF-UHFFFAOYSA-N 445.367 5.085 30 10 IKEE C=CCOc1cn(Cc2ccccc2C)c(CN2CCC(Cc3ccccc3)CC2)cc1=O 1870385167 LDFDXECQPUGMIE-UHFFFAOYSA-N 442.603 5.225 30 10 IKEE CCCCCCCOc1cn(Cc2cccc(C)c2)c(CN2C[C@H](C)O[C@@H](C)C2)cc1=O 1870412690 GMIPGYOQHREBMD-GOTSBHOMSA-N 440.628 5.163 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCCOc2ccccc2)cn1CCCCCC 1870633798 AYRXEDMJJDTHLX-UHFFFAOYSA-N 438.612 5.451 30 10 IKEE C=CCn1cc(OCc2c(C)cc(C)cc2C)c(=O)cc1CNc1ccc(OCC)cc1 1870802823 LPVCFZRMYUUXCM-UHFFFAOYSA-N 432.564 5.549 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)c(Cl)c2)c(=O)cc1CNc1ccc(OC)cc1 1870825787 HGAYXYDMXHZJBS-UHFFFAOYSA-N 445.346 5.541 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc4c3CN([C@@H](C)c3ccc(CC)cc3)CO4)C2=O)cc1 1871354708 YTTBENAIFZYZKS-FDMOBFIZSA-N 439.555 6.341 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O)c1cc([N+](=O)[O-])ccc1Cl 1871372806 LUERAFFWUWXMMM-UKWGHVSLSA-N 439.782 5.223 30 10 IKEE O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 1871377289 DKBVOLKSLUAYAK-RQINMVFWSA-N 439.423 5.386 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O 1871377737 BGPUWLNXAISGFM-BKUYFWCQSA-N 441.321 5.941 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2C)C3=O)c(OC)c1 1871386597 DCJJFCHJRIBRAU-QRVIBDJDSA-N 430.456 5.156 30 10 IKEE C=CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(CC)cc2)C3=O)c1 1871389534 ARWXYYMUBAJOMR-MYYYXRDXSA-N 440.495 5.958 30 10 IKEE C=CCN(CC=C)Cc1c(O)cc(C)c2c1O/C(=C\c1c(Cl)cccc1Cl)C2=O 1871393380 IFLWWMNWQKJQNA-NDENLUEZSA-N 430.331 5.798 30 10 IKEE Cc1cc(OCCOc2ccccc2)cc2c1C(=O)/C(=C/c1ccc(-c3ccccc3)cc1)O2 1871397292 KHZXPVWDBHQIGK-USHMODERSA-N 448.518 6.736 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccc(F)cc4)cc(C)c3C2=O)c1 1871400428 BUEWLYXSENHTLM-ICODJCHTSA-N 431.463 5.465 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1cc(C)c2c(c1)O/C(=C\c1sccc1C)C2=O 1871429763 WZBAEESDIQKPSL-CBAAQYGVSA-N 442.577 6.262 30 10 IKEE COc1ccc(-c2c(C3CCC3)oc3cc(OCc4ccccc4C#N)ccc3c2=O)cc1 1871437322 RTMZYYZUNLXNNA-UHFFFAOYSA-N 437.495 6.187 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4Cl)cc(C)c3C2=O)c1 1871455816 XEEDXVACMBSCRK-UUYOSTAYSA-N 433.891 5.591 30 10 IKEE NC1=C(c2nc(-c3ccccc3)c(-c3ccccc3)s2)C(=O)CN1c1ccccc1F 1872726402 UTEQJPRNGDOBPN-UHFFFAOYSA-N 427.504 5.333 30 10 IKEE COc1cc(-c2nc3ccc(C(=O)Nc4ccccc4C#N)cc3[nH]2)ccc1OC(C)C 1872735174 INDKELZZLIKWBS-UHFFFAOYSA-N 426.476 5.150 30 10 IKEE COc1ccc(OC)c(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(C(C)(C)C)cc3)n2)c1 1872771463 VGIXRDXQAHICBE-HSRJRILOSA-N 446.572 6.014 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(Cl)c(C)c3)n2)c(OC)c1 1872783651 FJRSFEGARFIFDM-QGZVFWFLSA-N 442.924 5.044 30 10 IKEE CCCCCCCCNC1=C(c2cccc3ccccc23)C(=O)N(CCCCCC)C1=O 1873026026 XPFIVJARIHEECH-UHFFFAOYSA-N 434.624 6.450 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Cl)cc2C)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873276338 BFAJYPSMSXTCKA-UHFFFAOYSA-N 428.919 5.693 30 10 IKEE CCCc1nnc(SCc2ccccc2)n1/N=C/c1ccc(OC(=O)c2ccco2)cc1 1873501497 ZHGHKSGPNFUETF-PCLIKHOPSA-N 446.532 5.217 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(N(C)C)cc2)cc2c(NCCC3=CCCCC3)ncnc21 1873639539 YESYDHCYCPLZQF-UHFFFAOYSA-N 444.583 5.238 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)cc2C)cc2c(N3C[C@@H](C)C[C@@H](C)C3)ncnc21 1873666782 WACIPIAPGFXLRK-IYBDPMFKSA-N 437.975 5.314 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccccc3[C@@H](C)CC)c(=O)oc2c1C 1873916667 DCSHUYWNJJVERU-KRWDZBQOSA-N 433.548 6.059 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](C)Oc1ccc2c(C)c(CC)c(=O)oc2c1C 1873935253 NASORJYYNYINPN-FQEVSTJZSA-N 429.601 5.996 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1cccc(C)c1 1874207749 UEOZRJDFXFTKJG-YDZHTSKRSA-N 441.398 5.490 30 10 IKEE CCOc1cc(/C=N/n2c(CC34CC5CC(CC(C5)C3)C4)nnc2SCC)ccc1O 1874244043 LKMFSZNOVSEMEK-MFKUBSTISA-N 440.613 5.136 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(COc3c(C)cccc3C)nnc2SC)cc1 1874298553 GQPZXWINFDRLAK-PCLIKHOPSA-N 438.597 5.647 30 10 IKEE CCCSc1nnc(COc2c(C)cccc2C)n1/N=C/c1cc(Cl)ccc1O 1874299955 AZMHFKAWIGGJQL-FSJBWODESA-N 430.961 5.217 30 10 IKEE CCCSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1c(OC)ccc2ccccc12 1874359374 DLINONCXJYXMEC-WPWMEQJKSA-N 444.604 6.032 30 10 IKEE Cc1ccc(CSc2nnc([C@H](C)c3ccccc3)n2/N=C/c2ccc(O)cc2O)cc1 1874392493 NREWCQMPJPMOCE-GTPWMTBTSA-N 444.560 5.324 30 10 IKEE C=C(C)CSc1nnc(Cc2cccs2)n1/N=C/c1ccc(Br)cc1 1874412252 KJZPGDDOEUCPMB-RGVLZGJSSA-N 433.400 5.243 30 10 IKEE CCSc1nnc(Cc2ccccc2)n1/N=C/c1ccc(OCc2ccccc2C)cc1 1874417704 PWUCECNHUQMKDY-OVVQPSECSA-N 442.588 5.751 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCc3cc(C)ccc3C)nnc2-c2cccs2)c1 1874422320 GKTPCISAPODXNJ-ZMOGYAJESA-N 434.590 5.812 30 10 IKEE CCCOc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2cccc(F)c2)c1 1874439270 SPHBTCAUQLXLKJ-WGOQTCKBSA-N 440.588 5.969 30 10 IKEE Fc1ccc(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2cccc3ccccc23)cc1 1874443242 WWKKSSSJJHKZKW-WGLQLPMYSA-N 432.524 5.596 30 10 IKEE Oc1cccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2[C@H]2CCCO2)c1 1874449923 OZKMNUGHTNYEGA-BHSKHCGUSA-N 430.533 5.163 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1cccs1 1874485909 SCWOKUYTIJTSNL-UFFVCSGVSA-N 425.410 6.118 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2sccc2C)c1 1874494370 YERBNPJWVPLSAP-FSJBWODESA-N 439.610 5.145 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874503796 AMJNXCMLENPCDR-AFUMVMLFSA-N 442.560 5.340 30 10 IKEE CCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1cccc2ccccc12 1874506866 YYNKBTNFSREUNP-BUVRLJJBSA-N 431.521 5.467 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2ccc(C(C)C)cc2)c1 1874508975 FHKWVGSERVRRMQ-VULFUBBASA-N 449.624 5.755 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1c(Cl)cccc1Cl 1874515770 PEFQOYSSFUPSRG-AUEPDCJTSA-N 439.799 6.536 30 10 IKEE C=C(C)CSc1nnc(C2CC2)n1/N=C/c1cccc(OC)c1OCc1cccc(C)c1 1874519297 LRUPMCVJZMNXJY-VULFUBBASA-N 448.592 5.602 30 10 IKEE FC(F)(F)c1ccc(/C=N/n2cnnc2SCc2c(Cl)cccc2Cl)cc1 1874539064 LPMWHAWHTSAKER-KTZMUZOWSA-N 431.270 5.778 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccccc2OCc2cccc(C)c2)cc1OCCC 1874576233 DLRYHFWTKZRVJX-FYWRMAATSA-N 444.571 7.048 30 10 IKEE CCOC(=O)c1ccc(COc2ccc3ccccc3c2/C=C/C(=O)c2ccc(F)cc2)o1 1874584132 XXQVSZVVLHTUFB-BUHFOSPRSA-N 444.458 6.224 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC)c(OC)c1Br 1874597991 NRKVSVYDUIDSQN-JXMROGBWSA-N 433.342 5.669 30 10 IKEE CC(C)COC(=O)COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1Cl 1874603779 FELNSXBPXYEUEO-YRNVUSSQSA-N 426.940 5.693 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3cc(C)ccc3C)c(OC)c2)cc1OC 1874604455 NOBGRWFVWXMPBD-DHZHZOJOSA-N 432.516 5.804 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Cl)c(OCc3ccccc3)c(OCC)c2)cc1 1874607553 TWBCTFLACXQHCM-SAPNQHFASA-N 448.990 7.556 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1C 1874614709 PVSLJTJJQNOPGQ-BUHFOSPRSA-N 449.934 5.961 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OCC(=O)NC1CCCCC1 1874617530 GOCDPXBJTMBLJT-SDNWHVSQSA-N 435.564 5.426 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)c(C)c1 1874634397 ZUUABUJVLVFHCW-UXBLZVDNSA-N 425.355 7.394 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OCC(=O)NC2CCCCC2)cc1 1874635006 CRBAVZTXGZCKRS-GHRIWEEISA-N 433.592 6.016 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1OC(=O)CC1CCCCC1 1874692349 BNDXUBXFEDHNQO-RVDMUPIBSA-N 428.528 6.620 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OC(=O)c1ccc([N+](=O)[O-])cc1 1874700586 ATAMVPHCCFNLJQ-SWGQDTFXSA-N 437.835 5.372 30 10 IKEE COc1cccc(OCC(=O)Oc2cc(/C=C/C(=O)c3ccc(C)c(C)c3)ccc2OC)c1 1874713871 RWXTZMXRYRKGQP-FMIVXFBMSA-N 446.499 5.201 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(-c4ccccc4)cc3)cc2)c1 1875080470 KLQUBVMZVORYGC-DEDYPNTBSA-N 448.518 6.868 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC3CCCCC3)c(Cl)c2)cc1 1875106787 KWAJNQXMZLEOKV-FOWTUZBSSA-N 438.995 7.455 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)ccc1OC(=O)Cc1ccccc1F 1875109639 XUECRCBMGBKWAB-FMIVXFBMSA-N 448.490 5.586 30 10 IKEE C[C@H](C(=O)Oc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-])c1ccccc1 1875118374 ZYLBCDAPPLKQEB-UDYBNVKDSA-N 446.415 5.108 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Br)c1OC(=O)CC(C)(C)C 1875128476 GEXHKGLEMWPWGA-ZHACJKMWSA-N 431.326 5.695 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2OC)cc1 1875134569 YYLAHLQQIOUNSV-RVDMUPIBSA-N 442.555 6.309 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C(F)(F)F)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 1875135251 HXMCDLSYQYWFMV-ORCRQEGFSA-N 434.153 5.265 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)COc3c(C)cccc3C)cc2)c1 1875145150 CBDGUEHNPDDQPK-GXDHUFHOSA-N 446.499 5.201 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)[C@@H](C)c1ccccc1 1875151395 JLDCMGVASGBPKS-PEKVBPLLSA-N 444.483 5.419 30 10 IKEE Cc1cccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])c1C 1875158468 XOVATIAIPRSDKZ-WUXMJOGZSA-N 449.434 5.231 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)C(F)(F)F)c(Cl)c2)cc1C(C)C 1875162826 MVNMDTUPJMWSBT-FNORWQNLSA-N 440.845 6.144 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)c(C)c1C 1875167648 KKHBLJJWNODRHE-GHRIWEEISA-N 436.507 6.581 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2)c1 1875175931 OEZIWYRCXPGBCU-FOWTUZBSSA-N 428.528 6.273 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(F)c(F)c2)cc1 1875180433 MWPQWTKFSPTZRU-BJMVGYQFSA-N 442.845 6.051 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3Cl)c([N+](=O)[O-])c2)c(C)c1 1875183237 QPUFNANPJONXGN-CSKARUKUSA-N 449.890 6.289 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)c1cccc(F)c1 1875185417 CGEUZBNALVASKY-JLHYYAGUSA-N 446.518 6.556 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]12CCC[C@H]1CN(C(=O)OC(C)(C)C)C2 1922078488 XAEFGQLNURRYPX-JCYRPKCISA-N 428.617 5.165 30 10 IKEE C=C(COCc1ccccc1)[C@H](Cc1ccc(CNC(=O)OC(C)(C)C)cc1)NCCC 1923126916 ZJZKQCGSIXHLKV-VWLOTQADSA-N 438.612 5.395 30 10 IKEE CC1(C)CC[C@H](Nc2cc(Br)ccc2C#N)[C@H](CNC(=O)OC(C)(C)C)C1 1927070236 NTMSFFWYKURPEV-RDJZCZTQSA-N 436.394 5.452 30 10 IKEE CN(CCN(Cc1ccccc1)c1ccc(C#N)c(Br)c1)Cc1ccccc1 1932082332 VPXFXZKRJPHKCQ-UHFFFAOYSA-N 434.381 5.459 30 10 IKEE CC1(C)CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)[C@H](OCc2ccccc2)C1 1998840032 NAIWTJDYSYOTMK-GJZUVCINSA-N 426.601 6.224 30 10 IKEE CC(C)[C@H]1CC=C(C(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)CC1 2010745378 ZSDDIGBUBYRTEA-LVXARBLLSA-N 426.601 5.107 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(Cc2ccccc2)C[C@@H]1C 2037425361 DHNPTMHPUROTFN-FNZWTVRRSA-N 435.568 5.241 30 10 IKEE CC(C)(C)OC(=O)N(CC1CC1)[C@@]1(C#N)CN(Cc2ccccc2)C2(CCCCCC2)C1 2038914385 SLZACACCOUTKRK-MHZLTWQESA-N 437.628 5.895 30 10 IKEE O=C(C=CNc1ccc(Cl)cc1)c1cccc(OCc2ccc(Cl)cc2Cl)c1 2040742190 QGNAOXHJIRRLGN-UHFFFAOYSA-N 432.734 7.034 30 10 IKEE N#C[C@@H](NCCCN=[N+]=[N-])c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071260018 BSMMNUCNLQFWNK-HSZRJFAPSA-N 427.508 5.699 30 10 IKEE CC[C@H](c1ccc(C)c(C)c1)n1nc(C(C)(C)C)c(/C=N/O)c1I 2078999453 PTJDCHWVCFOBGR-BTZNOAQDSA-N 439.341 5.210 30 10 IKEE Cc1cc(C)c([C@@H](C2CCC2)n2nc(C(C)C)c(C#N)c2I)cc1C 2079138593 KOIVBENTZGSLAH-HXUWFJFHSA-N 447.364 5.798 30 10 IKEE Nc1c(C(F)(F)F)nn([C@@H](c2ccc(C(F)(F)F)c(F)c2)C2CC2)c1Br 2079853866 HHSPZWRSTPGDMM-LLVKDONJSA-N 446.164 5.404 30 10 IKEE CC1([C@@H](c2ccc(C(F)(F)F)cc2)n2nc(C3CC3)c(C=NO)c2Br)CC1 2079854566 HCBIKLHBRLAURJ-MRXNPFEDSA-N 442.279 5.739 30 10 IKEE N#Cc1c(C2CCCCC2)nn(Cc2cccc(C(F)(F)F)c2F)c1Br 2080304051 ODDXUMVENFSOPL-UHFFFAOYSA-N 430.243 5.771 30 10 IKEE C=CCC[C@@H](C(=O)N[C@H]1CCCCN(C(=O)C2(CC=C)CCCCC2)C1)c1ccccc1 2080466185 ZUWGTHGTIYCMMG-LOSJGSFVSA-N 436.640 5.760 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc1 2094883956 BAJQJGLGFFQPCS-OOWSSMPZSA-N 447.579 5.526 30 10 IKEE C=CCCCCC[C@H](NCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134730680 QMPCQZZLKRQKCH-NDEPHWFRSA-N 443.631 7.632 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(F)c(C(=O)Nc2ccc(C#N)cc2Br)c1 2181143358 HLLQNCSMKNLMSG-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE O=C(C#Cc1ccccc1Br)c1cc(Br)c(Br)s1 2220273375 QEEATXIAUHWPQL-UHFFFAOYSA-N 448.961 5.270 30 10 IKEE Cc1sc([C@H](C#N)N(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)c(Br)c1C 2221773645 GXNVRMIFQIOFRN-KBPBESRZSA-N 429.380 5.108 30 10 IKEE C=C(C)C[C@@H](NCCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229109081 FKIBBFOVTRLCPW-MOPGFXCFSA-N 425.411 5.219 30 10 IKEE C=CC[C@@H](C)[C@H](NCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229136711 QUEIUIDHECNXNR-LZQZEXGQSA-N 425.411 5.075 30 10 IKEE CC(C)[C@@H](CCNC(=O)OC(C)(C)C)CC[C@H](O)C#Cc1ccccc1Br 2235740251 NNBBYMALGRGIHM-MJGOQNOKSA-N 438.406 5.129 30 10 IKEE CCC#CC[C@@H](NCCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237417213 NDQUGSJAYUSSED-WOJBJXKFSA-N 437.422 5.057 30 10 IKEE C=C(COCc1ccccc1)[C@H](Cc1cc(Br)cc(Br)c1)NC 2245963685 NUJPIWSFXOMGEX-IBGZPJMESA-N 439.191 5.115 30 10 IKEE Cc1cc(C(=O)N(Cc2ccccc2)[C@H](C)C(C)C)sc1B1OC(C)(C)C(C)(C)O1 2247930478 UGSDGOZPEAACII-GOSISDBHSA-N 427.419 5.043 30 10 IKEE C=C(C)CCCC[C@@H](O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2271757199 YZMVPXOEJHTPED-RTBURBONSA-N 426.395 5.382 30 10 IKEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)CC1CCCCC1 2282113674 STNCHUZIPKBCSR-UHFFFAOYSA-N 447.428 5.517 30 10 IKEE C=CCC1([C@@H](O)c2cc(Br)cc(C(C)(C)C)c2)CN(C(=O)OC(C)(C)C)C1 2288659102 JZSZOQMUEFKGNF-SFHVURJKSA-N 438.406 5.593 30 10 IKEE Cc1c(NC(=O)OC(C)(C)C)ccc([C@@H](O)C#Cc2cccc(Br)c2)c1C 2296229440 JOJCGKFMSLVONW-FQEVSTJZSA-N 430.342 5.498 30 10 IKEE Cc1cc(C)cc(-c2nc3cc(N=CC=Cc4cccc(Br)c4)ccc3o2)c1 2297215049 WJEZRRVWHPSCES-UHFFFAOYSA-N 431.333 7.290 30 10 IKEE COC(=O)c1ccc(C=C(C(=O)c2ccc(OC)c(OC)c2)c2nc3ccccc3o2)cc1 2297471788 GIDXKFVGVVMQDH-UHFFFAOYSA-N 443.455 5.055 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc3C2=O)cc1 2314437301 IOEFMRQGTYEGSP-UHFFFAOYSA-N 443.455 5.728 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O)c1ccc(Br)cc1 2314437356 KKKQHPNQLPQHRV-UHFFFAOYSA-N 439.236 5.424 30 10 IKEE CCOc1ccc(N=C2NC(=O)SC2=Cc2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 2314487928 LJCJUFSNBZGOSE-UHFFFAOYSA-N 434.477 5.312 30 10 IKEE COc1cc(C=C2Oc3ccc(Br)cc3C2=O)ccc1OCc1ccccc1 2314519485 QJPABJPRNOHVNK-UHFFFAOYSA-N 437.289 5.653 30 10 IKEE CC#CCN(C[C@@H](NCC)c1cccc(Br)c1Cl)C(=O)OC(C)(C)C 2316118240 ZTWNCNRLIQJSQI-MRXNPFEDSA-N 429.786 5.014 30 10 IKEE Cc1nnc(SCc2ccc(Br)cc2)n1N=Cc1ccc(C(C)(C)C)cc1 2318572064 ZIIBPZIZJVVYHE-UHFFFAOYSA-N 443.414 5.821 30 10 IKEE COc1cccc(C=C2Oc3c(ccc4c3CN(Cc3ccc(Cl)cc3)CO4)C2=O)c1 2321955299 FNAPXOVWBBUAAN-UHFFFAOYSA-N 433.891 5.317 30 10 IKEE Cc1ccc(C)c(CN2COc3ccc4c(c3C2)OC(=Cc2ccc([N+](=O)[O-])cc2)C4=O)c1 2322170906 KZAPEGCLKKNSNW-UHFFFAOYSA-N 442.471 5.180 30 10 IKEE O=C(COc1ccccc1C=CC(=O)c1ccc2c(c1)CCCC2)Nc1ccc(F)cc1 2322328626 OPIPBMSDIJWOJR-UHFFFAOYSA-N 429.491 5.618 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2cccc(C)c2)cc1 2322371122 BDSNPCJBGXTRGX-UHFFFAOYSA-N 429.516 5.480 30 10 IKEE Cc1ccc(CCN2COc3c(cc4c(c3C)OC(=Cc3cccc(Cl)c3)C4=O)C2)cc1 2322436588 XXVGDWFTZFWKDG-UHFFFAOYSA-N 445.946 5.968 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C)cc2C)c1OCc1c(Cl)cccc1Cl 2322579712 DPJOMRIMQUZANF-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE O=C(C=Cc1ccccc1OCc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCO2 2322687773 NOWGWCYZYUNXIM-UHFFFAOYSA-N 427.283 6.197 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OC(=O)c3ccc(Cl)cc3)cc(C)c2C1=O 2322705127 UQGJBGHWUKNBQM-UHFFFAOYSA-N 434.875 5.883 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2cccc3ccccc23)c1OCc1cccc(C)c1 2322724580 GDHOGCFRKJQOTI-UHFFFAOYSA-N 442.942 7.285 30 10 IKEE Cc1cc(OC(=O)c2ccccc2F)cc2c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O2 2322795226 PBVBXJRKUVFERL-UHFFFAOYSA-N 443.257 6.276 30 10 IKEE COc1cccc2cc(C(=O)Oc3ccc4c(c3)OC(=Cc3cccc(F)c3)C4=O)oc12 2322856891 HAZVIMUFBROLEO-UHFFFAOYSA-N 430.387 5.416 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2cccc(OC)c2OCc2ccc(C)cc2)c1 2322864030 LYEMIAYYVMNBMJ-UHFFFAOYSA-N 446.543 6.276 30 10 IKEE COC(=O)c1ccc(COc2ccccc2C=CC(=O)c2ccc(OC)c3ccccc23)o1 2323009114 QLXHGCNTJREXCS-UHFFFAOYSA-N 442.467 5.703 30 10 IKEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1ccccc1C 2323370835 YLDZPJBEZPZVPP-UHFFFAOYSA-N 433.460 5.396 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCc3c(F)cccc3Cl)c([N+](=O)[O-])c2)cc1 2323466136 PPCIMHUFSVSILI-UHFFFAOYSA-N 439.870 6.425 30 10 IKEE Cc1cc(OC(=O)COc2ccc(Cl)cc2)cc2c1C(=O)C(=CC=Cc1ccccc1)O2 2323536685 YILMAOLSYQDYFZ-UHFFFAOYSA-N 446.886 5.805 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 2323627854 FAKKVRRVJPTJKG-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccc(C=CC(=O)c2ccccc2)cc1[N+](=O)[O-] 2323812497 UOKYWCZKHWRGFO-UHFFFAOYSA-N 430.460 5.125 30 10 IKEE Cc1sc(NN=Cc2cccc(OCc3ccc(Cl)cc3)c2)nc1-c1cccs1 2323854358 PPMDWCLJTSESTH-UHFFFAOYSA-N 439.993 6.858 30 10 IKEE CCN(CC)C(=O)COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1Cl 2323882384 UKWAVPYHSPVFLC-UHFFFAOYSA-N 440.754 5.790 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(ccc(O[C@@H](C)C(=O)OC(C)C)c3C)C2=O)cc1 2324305611 PXXQAENEBFUGPM-SFHVURJKSA-N 437.536 5.176 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2cccc(F)c2)C3=O)cc1 2324379253 ORRIEEMIBYQCGI-QGZVFWFLSA-N 431.463 5.465 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3F)c([N+](=O)[O-])c2)cc1C 2324451228 PREWBFONMPSQJG-UHFFFAOYSA-N 448.450 5.264 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2cccc(F)c2)C3=O)cc1 2324483947 BVXNCENJLHHWDZ-QGZVFWFLSA-N 445.490 5.719 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)c(C)c1 2324494184 ZKJJWZOYHRGTKU-KRWDZBQOSA-N 447.918 5.979 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2cccs2)C3=O)c(C)c1 2324494698 XCYLBXDBWNWUEK-QGZVFWFLSA-N 433.529 5.696 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OCC(=O)NCc2ccccc2)cc1 2324504837 HXXQOPOCPSKRQN-UHFFFAOYSA-N 449.934 5.248 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc(Cl)c1OCc1ccccc1 2324567952 PDJNZYWSNNTRFP-UHFFFAOYSA-N 448.990 7.430 30 10 IKEE COC(=O)c1ccc(C=C2Oc3cc(OCCCCOc4ccccc4)ccc3C2=O)cc1 2324574800 OTXZRESHHZDNJH-UHFFFAOYSA-N 444.483 5.327 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCCCCOc4ccccc4C)ccc3C2=O)cc1 2324598580 JUSMAYVTSDUCJR-UHFFFAOYSA-N 428.528 6.412 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cc(Cl)c(OCc2ccccc2)c(OC)c1 2324693680 DVILDOBADUPZIC-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE COc1ccc(OC)c(C=CC(=O)[C@H](C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)c1 2324726184 XGGJNXPOVYSJGV-FQEVSTJZSA-N 448.544 5.342 30 10 IKEE CC(C)c1ccc(C=C2Oc3cc(OCC(=O)N[C@@H](C)c4ccccc4)ccc3C2=O)cc1 2325019358 PNKASDSLBVVDEP-IBGZPJMESA-N 441.527 5.682 30 10 IKEE CCOCCOC(=O)CCOc1cc(C)c2c(c1)OC(=Cc1ccc(C(C)C)cc1)C2=O 2325118375 NEXGUTMYIPTRIA-UHFFFAOYSA-N 438.520 5.083 30 10 IKEE COc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4c(C)cccc4C)ccc3C2=O)cc1 2325141659 YLJKIEWLDHREBD-GOSISDBHSA-N 443.499 5.334 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2)Oc2cc(OCc3nc(O)c4ccccc4n3)ccc21 2325200682 CWWLPKRHZKDKIR-UHFFFAOYSA-N 430.847 5.184 30 10 IKEE C[C@@H](Oc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O)C(=O)Nc1ccc(C#N)cc1 2325301792 UHGPQQZJABOJFA-OAHLLOKOSA-N 444.874 5.234 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccc(C#N)cc4)cc(C)c3C2=O)cc1 2325302084 QEUWIZBZKWKRNA-SFHVURJKSA-N 438.483 5.197 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1N=Cc1cccc(OCCC)c1 2325513144 KCDXCEQRFVBPSC-UHFFFAOYSA-N 426.561 5.723 30 10 IKEE Clc1ccc(C=Nn2cnnc2SCc2c(Cl)cccc2Cl)c(Cl)c1 2325665327 BYSBHQNDFDWKEZ-UHFFFAOYSA-N 432.163 6.066 30 10 IKEE Cc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(Br)cc3)c2)cc1C 2325716179 YEAUJPHYJLLDOK-UHFFFAOYSA-N 449.344 6.110 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccccc2-c2ccccc2)c1)c1ccc(Cl)cc1 2325730796 ZHESSFXYKMRQAT-UHFFFAOYSA-N 438.910 7.122 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1C 2325738561 FPZOXHVQMXOHLL-UHFFFAOYSA-N 425.484 5.493 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)c3ccc(Cl)cc3)c2)cc1C(C)C 2325754006 XFSHWEBFMOGSIV-UHFFFAOYSA-N 448.946 6.896 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cccc(OC(=O)Cc2cc(C)ccc2C)c1 2325757465 KOONVAFLUKUMBZ-UHFFFAOYSA-N 428.528 5.973 30 10 IKEE Cc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3cc(C(C)(C)C)ccc3C)c2)cc1C 2325765513 AWZVKENCBFLUDX-UHFFFAOYSA-N 440.583 6.954 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1ccc(O)cc1 2326323904 BHHBGHQYGYEZQD-UHFFFAOYSA-N 436.581 5.108 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1N=Cc1cc(Cl)c(O)c(OCC)c1 2326382349 CIRSHUMCQXZFFQ-UHFFFAOYSA-N 444.988 5.471 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2)cc1)ON=C1CCN(Cc2ccccc2)C1 2329923363 VJFVXSLKQWTPHU-UHFFFAOYSA-N 426.516 5.084 30 10 IKEE CSc1nnc(Cc2ccc(C)cc2)n1N=Cc1ccc(OCc2ccccc2)cc1 2329930053 JHSGTTWFIGDFDI-UHFFFAOYSA-N 428.561 5.360 30 10 IKEE C=C(C)CSc1nnc(CC2CCCCC2)n1N=Cc1ccc(OCCCCC)cc1 2330269847 HGKWDLNABQUAEX-UHFFFAOYSA-N 440.657 6.520 30 10 IKEE Cn1cccc1C=Nn1c(CC2CCCCC2)nnc1SCc1cccc(Cl)c1 2330289986 DUCDFQDNNDHKRW-UHFFFAOYSA-N 428.005 5.567 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(Cc2cccs2)n1N=Cc1ccc[nH]1 2330414318 DVFKOCOSECVCSG-UHFFFAOYSA-N 448.404 5.740 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3ccccc3)nnc2-c2cccs2)cc1 2330583233 WSNUPRMJJHITSC-UHFFFAOYSA-N 434.590 5.970 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2ccccc2F)nnc1-c1ccccc1 2330672860 AUFWWBYUISYPKG-UHFFFAOYSA-N 444.535 5.824 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3Cl)c([N+](=O)[O-])c2)c1 2330785550 FOLQMUUOJZJGQA-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(C)c3)cc2[N+](=O)[O-])cc1 2330867474 WCFPPPZHCVTSRA-UHFFFAOYSA-N 445.471 5.590 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Br)c2)ccc1OC(=O)CC(C)(C)C 2331006999 XCUKLQHNHTVPOK-UHFFFAOYSA-N 445.353 6.086 30 10 IKEE Cc1cc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2Cl)ccc1F 2331142681 SVQCOSIVEVCDOA-UHFFFAOYSA-N 443.301 6.485 30 10 IKEE COCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(Cl)c(Cl)c1 2331246496 SYIRWGQQEUMNRN-UHFFFAOYSA-N 439.343 5.087 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)cc2)cc1 2331259049 DWLKZWZBHZDJOG-NRFANRHFSA-N 428.528 6.387 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(Br)cc3)cc2)c1 2331318502 RVDKJMRUECMTCU-UHFFFAOYSA-N 435.317 6.181 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)CCc1ccccc1 2331334889 SCPPKCCKBAOGTF-UHFFFAOYSA-N 448.490 5.586 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC(=O)COCc1ccccc1 2331377025 ZMMVALFCDUMLSI-UHFFFAOYSA-N 446.499 5.031 30 10 IKEE CC(C)COC(=O)CSc1nnc(C(C)(C)C)n1N=Cc1ccc(Cl)cc1Cl 2331409104 VGUIPGJPRMFUDV-UHFFFAOYSA-N 443.400 5.056 30 10 IKEE CC(C)(C)CC(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1Br 2331440002 PBHBKQSFZKXPLU-UHFFFAOYSA-N 445.309 5.416 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)cc(OC)c1OC(=O)C(F)(F)F 2331470907 VEAKBHKULWAKPY-UHFFFAOYSA-N 430.378 5.221 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc3ccccc23)cc(OC)c1OC(=O)C(F)(F)F 2331484744 PWRXIRLHFCNLGP-UHFFFAOYSA-N 440.417 5.941 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(C2CCC2)n1N=Cc1ccccc1C 2331491649 ZCOHKNMDKYFTAQ-UHFFFAOYSA-N 433.581 5.029 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] 2331498509 YZQANEUYIGEQAS-UHFFFAOYSA-N 445.471 5.842 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)CC1CCCCC1 2331531090 ASPRVXFTPVEQTP-UHFFFAOYSA-N 444.930 6.650 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2ccc(OC(=O)C(C)(C)C)c(Cl)c2)cc1Cl 2331698061 PKWJHUFPRQFUAE-UHFFFAOYSA-N 437.319 5.858 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)c1cccs1 2331802410 LEYNAKIQOVWYDR-UHFFFAOYSA-N 434.557 6.478 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3cccc(C)c3)c([N+](=O)[O-])c2)cc1C 2331851529 LTVNESMQLCHMTN-UHFFFAOYSA-N 445.471 5.644 30 10 IKEE C=CCC(CC=C)[C@H](NCC)c1cc(Br)ccc1I 2338742066 SRKOFZUWBYJGDM-INIZCTEOSA-N 434.159 5.473 30 10 IKEE C[C@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339579069 QAJCTRJUXVPWRX-REWPJTCUSA-N 433.405 5.049 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(OCc2ccc(C#N)cc2Cl)ccc1Br 2344304397 XXVWEEDALLTRDA-UHFFFAOYSA-N 437.721 5.900 30 10 IKEE Cc1csc(C(=O)N2CC(B3OC(C)(C)C(C)(C)O3)=CCC2(C)C)c1Br 2362501094 OAVREKDJOCEHIQ-UHFFFAOYSA-N 440.212 5.001 30 10 IKEE CC1(C)OB(c2ccc(Nc3ccc(Br)cc3Cl)c(C#N)c2)OC1(C)C 2364740905 GAYWKJWQGNDEHU-UHFFFAOYSA-N 433.542 5.017 30 10 IKEE COc1ccc(C#N)cc1COc1ccc(Br)c(NC(=O)OC(C)(C)C)c1 2370431316 KGLIJAHRJSUQNZ-UHFFFAOYSA-N 433.302 5.255 30 10 IKEE C=CCNC(=O)c1cccc2c1N[C@H](c1ccccc1OCc1ccccc1)[C@@H]1CC=C[C@H]21 14476560 GTKFYTJGJSGTTP-XXAUWVGASA-N 436.555 6.008 30 10 IKEE COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2S[C@@H]3c2ccccc2)cc1OC 19638823 JZWXBFVEHMKJDS-UZTOHYMASA-N 443.568 6.364 30 10 IKEE COc1ccccc1/N=C/c1c(OS(=O)(=O)c2ccc(C)cc2)ccc2ccccc12 20075292 NXFDLBOQEXPKGQ-YZSQISJMSA-N 431.513 5.675 30 10 IKEE N#Cc1cccc(CN2C[C@@H]3C[C@H](C2)c2c(-c4ccc5ccccc5c4)ccc(=O)n2C3)c1 20503376 DRTMJXOVPWKHSS-BKMJKUGQSA-N 431.539 5.159 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(Cl)cc2)cc1 21237097 ZHJPVXQYEUOLPO-XHCCPWGMSA-N 444.962 6.718 30 10 IKEE CN(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(O)c2)cc1 21252197 DRHOVXVFKRINFN-PPHZAIPVSA-N 425.532 5.438 30 10 IKEE C=CCNC(=O)c1cc(-c2csc(-c3ccc(C)nc3)n2)n(CC2CCCCC2)c1C 33905383 AKKAMTUFKBWQEQ-UHFFFAOYSA-N 434.609 5.787 30 10 IKEE CCN1C(=O)/C(=C\C=C2/Sc3ccccc3N2CC)S/C1=N/c1ccccc1Cl 33906799 BISOAEKHCGVFAS-QLWAJTQASA-N 442.009 6.280 30 10 IKEE COc1cc(/C=C\C(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)N1CCOCC1 34955164 QMCKKXJFSLGCEN-QPEQYQDCSA-N 443.499 5.089 30 10 IKEE C=CCOc1cccc([C@@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2CCCCC)c1 38705559 TWBHKFCESJNSIV-AREMUKBSSA-N 445.563 5.699 30 10 IKEE Cc1cc(Br)cc2c1N(CCCOc1ccc(C(C)(C)C)cc1)C(=O)/C2=N\O 39854049 VZJKYNNLQXDUGX-CLCOLTQESA-N 445.357 5.049 30 10 IKEE C=CCc1ccccc1OCCCCn1c([C@@H](C)NC(=O)C(C)(C)C)nc2ccccc21 40190122 KKGVCWTULXEKFA-HXUWFJFHSA-N 433.596 5.847 30 10 IKEE COc1ccc(OC)c(-c2c(C#N)c(SCc3ccc(F)cc3)nc3c2CN(C)CC3)c1 40570102 KODUOAJLNULQDF-UHFFFAOYSA-N 449.551 5.057 30 10 IKEE CSc1nc2ccc(/N=C/c3ccc(Sc4nc5ccccc5s4)o3)cc2s1 59501333 KLKIRKXTGJPZJU-SRZZPIQSSA-N 439.612 7.123 30 10 IKEE CC(C)=CCC/C(C)=C\CC/C(C)=C/CC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O 100859871 DKHGMERMDICWDU-REPKMBNCSA-N 444.659 8.918 30 10 IKEE in-vitro COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N\Nc1ccccc1)CC(C)(C)C2 101108972 UXLYFQJBPIQBTB-BRPDVVIDSA-N 445.519 5.416 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(C)c2C)cc1 169925035 ANWGWAYEOVCYBJ-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(OCc3ccccc3C)cc2)NC(=S)N1 169937927 WYEZGJYCYLRQIC-XMMPIXPASA-N 428.557 5.250 30 10 IKEE O=C1CCCC2=C1[C@H](c1c(OCc3ccc(F)cc3)ccc3ccccc13)NC(=S)N2 169938897 SKMQRGQTANIUBS-DEOSSOPVSA-N 432.520 5.084 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2cccc(C)c2)c1 169972825 WVLWBVHOGDRJQQ-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE CCCCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@@H]2c2ccccn2)cc1 169993403 DEOFWZWOGOYWQM-DEOSSOPVSA-N 442.515 5.216 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2cccnc2)cc1Cl 170009139 LZXQGNBJEABJQK-QHCPKHFHSA-N 432.907 5.145 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2ccc(F)cc2)c1 170060586 VGDYJTUOZQXYCX-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C2CCCCC2)cc1 170114780 WQLBZTABLLPHJK-OAQYLSRUSA-N 425.912 5.260 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(N(C)C)cc1 170129573 WUVSRTIZQQSQQG-VWLOTQADSA-N 442.559 5.674 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1ccc(O)cc1)c1ccc2ccccc2c1 170132484 DLCHHLQITNNPOK-DEOSSOPVSA-N 437.451 5.034 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2cccc(C)c2)cc1Cl 170141289 MUWZDCJEOPSPLR-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@@H]1c1cccc(C)c1 170147386 NDQJEQSAUFIENZ-VWLOTQADSA-N 449.591 6.204 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccccc1OC(C)C 170150892 CPHJKTLNYHWJSV-JOCHJYFZSA-N 425.500 5.300 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccn2)ccc1OC(C)C 170168158 PPDDPSOKHZLYMI-JOCHJYFZSA-N 448.544 5.017 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccccc1)c1ccc(Cl)c(Cl)c1 170230450 IGWURVDMFDVJBO-IBGZPJMESA-N 428.271 5.365 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccccc1)c1cc2cc(Cl)ccc2o1 170230856 FIFJHHWQVASOBE-JOCHJYFZSA-N 444.874 5.260 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccc(F)cc2)cc1 170239860 RVSBWJKJELXYKV-VWLOTQADSA-N 437.470 6.070 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1c[nH]c2ccccc12)c1cc2ccccc2o1 170254212 AYAIZNOHNPYRTI-XMMPIXPASA-N 434.451 5.697 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2ccc(C)o2)cc1C 170297832 IPRXIQIUOWXLPW-HSZRJFAPSA-N 447.487 5.087 30 10 IKEE CC(C)C(=O)C1=C(O)C(=O)N(c2nc3cc(F)ccc3[nH]2)[C@H]1c1ccc(C(C)(C)C)cc1 170472457 DWQDTZVCGDZGDY-FQEVSTJZSA-N 435.499 5.125 30 10 IKEE Oc1c(Br)cc(C=Nc2ccc3c4c(cccc24)CC3)c(O)c1Br 254297317 OBDINIJNQDRXNW-UHFFFAOYSA-N 447.126 5.625 30 10 IKEE C=CCN=c1scc(-c2ccc(Br)cc2)n1N=Cc1c[nH]c2ccccc12 254518796 DLZIVJLXJOMBMB-UHFFFAOYSA-N 437.366 5.429 30 10 IKEE Oc1ccc2ccccc2c1C=Nc1ccc(-c2nn3c(C(F)(F)F)nnc3s2)cc1 263629980 ZZRNSWCMOYMPER-UHFFFAOYSA-N 439.422 5.481 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(F)ccc1Br)NCCC 407092853 SUTZFXLIPWVUQA-RBUKOAKNSA-N 443.401 5.358 30 10 IKEE C(=N\n1c(CCc2ccccc2)nnc1SCc1cccc2ccccc12)\c1ccco1 526822334 WWKPBZIDZFQGOV-IMRQLAEWSA-N 438.556 5.984 30 10 IKEE N#Cc1ccc(CN(c2cccc3ccccc23)S(=O)(=O)c2cccc(Cl)c2)cc1 586221596 PHXNRPDLXKQIGU-UHFFFAOYSA-N 432.932 5.760 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1ccc(F)c(C#N)c1 698482875 RWMXNFXYPNKAFD-GOSISDBHSA-N 430.277 5.466 30 10 IKEE CCCCCCCCC[C@@H](CCN(Cc1ccccc1)C(=O)OC(C)(C)C)NCCC 701328267 RCHPVPUAMIXGFV-VWLOTQADSA-N 432.693 7.323 30 10 IKEE C#CCCC[C@H](NCCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 708565388 AMUPDCCTHBNGTI-VQTJNVASSA-N 437.422 5.057 30 10 IKEE C[C@@H](COCc1ccccc1)COc1ccc2ccccc2c1B1OC(C)(C)C(C)(C)O1 719161412 YAJJQYPXSGITRG-FQEVSTJZSA-N 432.369 5.371 30 10 IKEE N#Cc1cn(C(=O)/C=C\c2ccc(-c3ccc(F)cc3Br)o2)c2ccccc12 1084572853 KIMMONWNTOEEGP-YFHOEESVSA-N 435.252 6.028 30 10 IKEE C[C@H]1CC(=Nc2cc(Cl)ccc2Cl)c2cc(F)ccc2N1C(=O)c1ccc(F)cc1 1088681031 GMPRAPYNKXSONB-ZDUSSCGKSA-N 445.296 6.831 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(OC)cc2)SC1=Nc1nc(-c2ccccc2)cs1 1772734780 FPXSMXSDBZTPRX-SKYIDQJDSA-N 433.558 5.609 30 10 IKEE COc1ccc(/C=C2\SC(=NN=Cc3ccccc3C)N(Cc3ccco3)C2=O)cc1 1772756971 INMRLSCSOQEVFM-KGXKECERSA-N 431.517 5.103 30 10 IKEE CC(C)(C)c1csc(NC(=O)[C@H]2CCCN(C(=O)c3ccccc3Cl)C2)c1C#N 1860653025 OCUTWOPMUGNFHB-AWEZNQCLSA-N 429.973 5.062 30 10 IKEE CSc1ccc(Cl)cc1CC(=O)Nc1ccc(CC(=O)Nc2ccccc2C#N)cc1 1860914135 KRYHLASWPHMMTF-UHFFFAOYSA-N 449.963 5.296 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 1861552809 BSAFLJNQTBBDII-LYPUYUAJSA-N 442.644 5.042 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2ccc(Cl)cc2)cc1 1862391537 CFAXQHLMNXDMRK-QFIPXVFZSA-N 441.955 5.297 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@@H]1c1ccc(F)cc1F 1862394777 JTYCNLXWDPYXLS-QHCPKHFHSA-N 441.518 6.076 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccccc2)cc1C 1862400281 AHUQRRVSPAWVHA-XMMPIXPASA-N 431.532 5.472 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862408418 LMTQKONXZRXAHZ-IBGZPJMESA-N 432.303 5.075 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CC2)cc1 1862452082 UIXRHKJYDSWLLN-NRFANRHFSA-N 425.912 5.260 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCc3ccccc3)[C@H]2c2cccc(C)c2)cc1 1862475157 FKQWHFGLPXRZCY-SANMLTNESA-N 439.555 5.905 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc3c(c2)CCCN3C)cc1 1862481649 CMRBNWBJFZXSQP-VWLOTQADSA-N 444.575 5.288 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2cccc(OC)c2)cc1 1862530298 PHAVEISRBRGLPU-RUZDIDTESA-N 441.527 5.345 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1cc(Cl)cc(Cl)c1 1862596709 HIXXZUZTWCSJAV-HXUWFJFHSA-N 448.346 5.858 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)cc1 1862660685 OSLMYCXNILMWIU-DNVKUUNQSA-N 431.576 6.275 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CCCCC2)cc1O 1862665520 JERYFFMQBYIKAN-DEOSSOPVSA-N 449.547 5.435 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(CC)cc1 1862672530 CNIUJLXBCMFKTQ-DEOSSOPVSA-N 437.555 6.327 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccccc2F)c1 1862702462 CQSUVUGJXRPUTN-HSZRJFAPSA-N 437.511 5.526 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccccc2Cl)=C(c2cccs2)C1=O 1863805348 STGQVRSDPZYEAM-UHFFFAOYSA-N 431.001 5.632 30 10 IKEE CCCCCCCCCCCC(=O)Nc1sc(C)c(-c2ccc(C)cc2)c1C(=O)OC 1865986237 QWDYQRPXYPKIRS-UHFFFAOYSA-N 443.653 7.678 30 10 IKEE C[C@@H](CC(=O)N[C@H](C(=O)Nc1ccccc1C#N)c1ccccc1)c1ccc(Cl)cc1 1866716716 YPUVCIMCIRRTJB-XDHUDOTRSA-N 431.923 5.201 30 10 IKEE Cc1ccccc1-c1nc(Nc2ccccc2C#N)cc(N2CCO[C@H](c3ccncc3)C2)n1 1868307161 NAMDFRIECZDAMW-DEOSSOPVSA-N 448.530 5.040 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2Cl)c(CN2CCC[C@H](C)C2)cc1=O 1870409651 YNKQMQRCPGFAET-NRFANRHFSA-N 445.047 6.131 30 10 IKEE CCCCCCCOc1cn(CCC)c(CNc2cc(Cl)cc(Cl)c2)cc1=O 1870831524 CADDEFCWTRTESH-UHFFFAOYSA-N 425.400 6.526 30 10 IKEE CCCCCCCOc1cn(CCCN(C)C)c(CNc2ccc(C)c(F)c2)cc1=O 1870837613 OZXCAQBKOKRHSR-UHFFFAOYSA-N 431.596 5.209 30 10 IKEE CCCCCCCOc1cn(Cc2ccccn2)c(CNc2cc(C)cc(C)c2)cc1=O 1870837903 DMSDRCHUZZWWIX-UHFFFAOYSA-N 433.596 5.870 30 10 IKEE CCCCCCCCn1cc(OCCC)c(=O)cc1CNc1ccc(C(C)(C)C)cc1 1871105797 VMJPHBMZQKORNQ-UHFFFAOYSA-N 426.645 6.907 30 10 IKEE COCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(C(C)C)cc1 1871250866 AHFPETMYNOTNQM-UHFFFAOYSA-N 445.563 5.071 30 10 IKEE O=C1/C(=C/c2cccc(Cl)c2)Oc2c1ccc1c2CN(C23CC4CC(CC(C4)C2)C3)CO1 1871353324 PLIRPGDONXBWAR-VROXFSQNSA-N 447.962 6.077 30 10 IKEE O=C1/C(=C/c2ccccn2)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc21 1871371678 CINMRURSHAKZDQ-UQQQWYQISA-N 433.463 5.435 30 10 IKEE CCCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2)C3=O)cc1 1871378605 VKBDTGSERLKLMC-ARPSJZOASA-N 440.495 6.019 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1ccc2c(c1C)O/C(=C\c1cccs1)C2=O 1871424751 VOLGZHHFRPZITC-BKUYFWCQSA-N 433.529 5.561 30 10 IKEE Cc1cc(O[C@H](C)C(=O)Nc2ccc(C#N)cc2)cc2c1C(=O)/C(=C/c1ccc(F)cc1)O2 1871435986 IRPFGWVTSSIZMQ-HNEZCVDCSA-N 442.446 5.028 30 10 IKEE CCc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccc(OC)cc2)C3=O)cc1 1871454045 GCTXTWNARLWXFK-OYKKKHCWSA-N 443.499 5.200 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccc(Cl)cc3C)ccc2C1=O 1871454172 CQLAXYACOIBTOU-FMCGGJTJSA-N 433.891 5.591 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccccc1)S(=O)(=O)c1c(C)cc(C)cc1C 1872136127 DJJALLGDGUNPHP-QHCPKHFHSA-N 442.625 5.376 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1cccs1 1872458543 RULAMBHVZSAQEK-SFHVURJKSA-N 441.018 5.084 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1OC 1872764264 IUZFWGBOOLNPSM-PHRJPNOBSA-N 434.517 5.116 30 10 IKEE N#C[C@@H](C(=O)/C=C/c1ccc(OCc2ccccc2)cc1)c1nc(-c2ccccc2)cs1 1872767803 AOJYOXCOZASRIX-LXGWOEDASA-N 436.536 6.279 30 10 IKEE CCCCCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc1 1872782090 CWZBPIJLJKIMJJ-HSZRJFAPSA-N 432.589 6.876 30 10 IKEE COc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1 1872786348 HUQPFFFMUAYXIG-GOSISDBHSA-N 426.925 5.208 30 10 IKEE CCCCCCCCCCNC(=O)c1cccc(COc2cc(C)c(Cl)c(C)c2)c1 1872837907 BACIOWSTJJFVSV-UHFFFAOYSA-N 430.032 7.406 30 10 IKEE Cc1nc(SCc2cccc(C(=O)NCCCCc3ccccc3)c2)c(C#N)c(C)c1C 1872893153 JZHPBDMDYGBWEG-UHFFFAOYSA-N 443.616 5.924 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(F)c(Cl)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422579 DRNNELXZCWQJBV-UHFFFAOYSA-N 449.913 5.265 30 10 IKEE C=CCN(CC=C)c1nc(Nc2ccc(OCC)cc2)c2cnn(-c3ccccc3)c2n1 1873481961 ZUZKNODXLKTUCO-UHFFFAOYSA-N 426.524 5.136 30 10 IKEE CCCCCCCCN=c1nc2c(cnn2-c2ccc(F)cc2)c(Nc2ccc(C)cc2)[nH]1 1873488052 LKLTZOVAYLAOIT-UHFFFAOYSA-N 446.574 6.201 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C)c2C)cc2c(N(CCCC)CCCC)ncnc21 1873662553 STFCLKAADULXTQ-UHFFFAOYSA-N 433.600 5.893 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3Cl)n2/N=C/c2ccccn2)cc1 1874276002 QALLUZUWVYOLHC-JVWAILMASA-N 447.995 5.595 30 10 IKEE CCSc1nnc(COc2ccc(OC)cc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874293129 YQOWBSKTALNMSE-SSDVNMTOSA-N 437.352 5.167 30 10 IKEE C=CCSc1nnc(Cc2ccc(OCC)cc2)n1/N=C/c1ccc(N(CC)CC)cc1 1874304111 IZPFBJIHFWMVAJ-LGUFXXKBSA-N 449.624 5.274 30 10 IKEE C=CCSc1nnc(COCc2ccccc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874355240 UDVHDYGNKSJHCT-DHRITJCHSA-N 432.471 5.174 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1cccn1C 1874398764 DMWYZPIQUDABNB-SCELWYEFSA-N 435.984 5.596 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCc3cccc(Cl)c3)nnc2-c2cccs2)c1 1874424589 SQCJWVALGJEKJI-FSJBWODESA-N 440.981 5.849 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1cccc(OCCC)c1 1874479610 IVLHQQWIEYCXBF-PCLIKHOPSA-N 443.016 6.237 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CCC2)c1 1874496365 IIGDQIKVESVXOT-WPWMEQJKSA-N 442.588 6.272 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2ccc(Cl)cc2)c(C)c1 1874514879 KKBFTLSBSSCGBT-WYMPLXKRSA-N 441.988 5.285 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccc(C(=O)O)cc1 1874525680 AJUFHGUHTFSCLM-LSHDLFTRSA-N 435.336 5.020 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1cccc(OC)c1O 1874525773 FPJDNVLDADYKTE-LSHDLFTRSA-N 437.352 5.036 30 10 IKEE Cc1ccc(OCc2nnc(S)n2/N=C/c2ccc(Cl)c(Cl)c2)c(C(C)(C)C)c1 1874569226 MZSICFSGVMKXKP-BHGWPJFGSA-N 449.407 5.941 30 10 IKEE Cc1ccc(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc3ccccc3c2)c(C)c1 1874571540 SNKUJXHVGYCFQK-JQIJEIRASA-N 435.523 6.370 30 10 IKEE CCN(CC)C(=O)COc1c(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cccc1OC 1874579468 PTYIJCZHSXZOKQ-ZRDIBKRKSA-N 436.335 5.145 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OCC(=O)Nc3c(C)cccc3C)c2)cc1C 1874601056 QXKJZZGGGOTMLH-OUKQBFOZSA-N 443.543 5.842 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 1874601410 KBKCFORZIMTAOV-GZTJUZNOSA-N 435.479 6.737 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OCc1c(F)cccc1Cl 1874608470 PYFSXUWMFOOLJG-PKNBQFBNSA-N 431.290 6.616 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc([N+](=O)[O-])c1OCc1cccc(C)c1 1874609402 PBNSEPZYRCYWRB-MDWZMJQESA-N 447.487 5.786 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 1874615381 VFRWBHHDJHGWFK-XYOKQWHBSA-N 447.487 5.704 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc([N+](=O)[O-])c1OCc1cccc(C)c1 1874617421 AIRXDUWSYSFWMT-ZRDIBKRKSA-N 445.515 6.394 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2ccc(OCc3cc(C)ccc3C)cc2)cc1Cl 1874631161 NQHQZCCNLQMGCB-FMIVXFBMSA-N 436.935 6.449 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc(Br)c1OC 1874633674 PJNRREOSNYDUKZ-VOTSOKGWSA-N 439.733 5.723 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OC(=O)c1c(F)cccc1Cl 1874709213 ARSMQJUHPGVDKH-WEVVVXLNSA-N 446.808 5.881 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)CC(C)(C)C)c2)c1 1874713136 IBNPSOKWDYCDAI-FMIVXFBMSA-N 440.536 5.730 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)CC3CCCCC3)c2)c2ccccc12 1874718239 FIWROWKTTWEUDO-JQIJEIRASA-N 428.528 6.620 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccccc2Cl)cc1OC 1875112039 WIWJAPZDFGKNOU-OUKQBFOZSA-N 435.347 6.774 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC(=O)c1sccc1C 1875122025 FEGWNPUHSUJWBK-XBXARRHUSA-N 428.456 5.849 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OC 1875123318 ZTNURCQWPMENJH-MDWZMJQESA-N 435.347 6.774 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c([N+](=O)[O-])c2)c(C)c1 1875134752 JDATZORUXOOGAC-JXMROGBWSA-N 446.415 5.235 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 1875142662 NWVDHWGAQUAIFK-QDEBKDIKSA-N 435.407 5.166 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc(Cl)c1OC(=O)C(C)(C)C 1875188050 MMZXPBPEQRVPJK-MDZDMXLPSA-N 444.955 6.212 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(C)c3)cc2)c(OC)c1OC 1875194308 PLKVZMNBSHQECU-GXDHUFHOSA-N 432.472 5.136 30 10 IKEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1Cl 1891040692 UNBNCQMCLKOZRG-UHFFFAOYSA-N 435.751 5.190 30 10 IKEE O=C(Nc1cccc(-c2ccc(C(F)(F)F)cc2)c1)Nc1cc(F)cc(C(F)(F)F)c1 1892416069 YFVPMSZJYKIBGB-UHFFFAOYSA-N 442.334 7.174 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1C[C@@H]2CCC[C@@H]2N1C(=O)OC(C)(C)C 1906292417 LAEQMGWYFFYOBH-NEWJYFPISA-N 428.617 5.306 30 10 IKEE CC1(C)OB(c2cc(F)cc(CN(Cc3ccccc3)Cc3cccs3)c2)OC1(C)C 1915410853 WEPBEVHYIVRLMF-UHFFFAOYSA-N 437.389 5.389 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C1(C)C 2013406534 KEXVWINKHFONTL-SBUREZEXSA-N 433.524 5.153 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1N(C(=O)OC(C)(C)C)CCSC1(C)C 2018260336 BBLMFDFDZOPLBL-FCHUYYIVSA-N 448.673 5.259 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(Br)ccc(Cl)c1F 2037657418 RTZTXZZGKATCEE-CZUORRHYSA-N 435.765 5.362 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)C1(C#N)[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C 2037933537 BMPYDEGSDNEQLI-VXKWHMMOSA-N 433.596 5.787 30 10 IKEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)c(Cl)c1 2041577654 HQOAIHGBVYTOPS-IAGOWNOFSA-N 429.786 5.060 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)C[C@H]1C1CCC1 2073794329 KBZFKSIOYZBKLE-NBGIEHNGSA-N 447.620 5.628 30 10 IKEE Cc1ccc([C@@H](C2CCC2)n2nc(C(C)(C)C)c(C#N)c2I)c(C)c1 2079070629 BGQDCIBMJCFXGA-GOSISDBHSA-N 447.364 5.663 30 10 IKEE Cc1ccc([C@H](C2CC2)n2nc(C3CCC3)c(/C=N/O)c2I)cc1C 2079141020 WKOWOTGRRJBLLN-QKXOWGBTSA-N 449.336 5.180 30 10 IKEE Fc1cc(Cn2nc(C3CC3)c(C(F)(F)F)c2Br)cc(C(F)(F)F)c1 2079809152 WVFDWKALBOXJJY-UHFFFAOYSA-N 431.149 5.748 30 10 IKEE Cc1cc(C)c([C@H](n2nc(C(F)(F)F)c(C#N)c2Br)C(C)(C)C)c(C)c1 2079845597 TWOPWFRTQILGNT-INIZCTEOSA-N 428.296 6.097 30 10 IKEE CC1(c2nn([C@H](c3ccc(C(F)(F)F)cc3)C3CC3)c(Br)c2C=NO)CC1 2079895223 QGFJZVLMBSSJPH-HNNXBMFYSA-N 442.279 5.523 30 10 IKEE CC1([C@@H](c2ccc(C(F)(F)F)c(F)c2)n2nc(C3CCC3)c(C=NO)c2Cl)CC1 2080005281 DYFJIZWAMJBART-QGZVFWFLSA-N 429.845 6.160 30 10 IKEE CC1(c2nn([C@H](c3ccc(C(F)(F)F)c(F)c3)C(C)(C)C)c(Cl)c2C=NO)CC1 2080012968 WQXKLCSXHYMKGX-MRXNPFEDSA-N 431.861 6.190 30 10 IKEE C=CCN(CC[C@@H](NCCC)c1cccc(Br)c1C)C(=O)OC(C)(C)C 2138847939 BUGYFWDGXCPGMY-LJQANCHMSA-N 425.411 5.611 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@](C)(C#N)C1C[C@@H]2[C@@H](C1)C2(C)C 2149728795 LZPJVJAIQYDKNZ-XCGNWRKASA-N 433.390 6.155 30 10 IKEE CCN[C@H](C#Cc1cccc(Cl)c1)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 2212466501 LLNJQAPSRBQGEC-HSZRJFAPSA-N 426.988 5.497 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1sc(C)c(C)c1Br 2221832400 NMQIEZXFNKPPOU-GOEBONIOSA-N 431.440 5.638 30 10 IKEE CCCC#CC[C@H](NCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237399867 TWHWHBGKCCUOLZ-PMACEKPBSA-N 437.422 5.057 30 10 IKEE C=CC[C@@H](C)[C@H](NCCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237403778 YXVCNNLPLGBCMT-UXPWSPDFSA-N 439.438 5.465 30 10 IKEE C=CCCC1([C@@H](O)c2ccc(Br)c(Cl)c2F)CN(C(=O)OC(C)(C)C)C1 2266316842 BOAQTQYMAWZUPK-INIZCTEOSA-N 448.760 5.478 30 10 IKEE Cc1csc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1B1OC(C)(C)C(C)(C)O1 2267151672 IMVLQPJDXGUBHT-UHFFFAOYSA-N 449.381 5.187 30 10 IKEE C=CC1(Oc2nc3ccc(Br)cc3s2)CCN(C(=O)OC(C)(C)C)CC1 2278965079 RYKAXUMRACLPJY-UHFFFAOYSA-N 439.375 5.393 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2)cc1)c1ccc(OCc2ccccc2)cc1O 2293205325 OXJNAMHGUAYTFA-UHFFFAOYSA-N 436.507 6.446 30 10 IKEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C 2296215973 GFRLESYNLFYXIV-RTBURBONSA-N 437.422 5.060 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@H](C)C(C)(C)NC(=O)OC(C)(C)C 2296295952 IRXQMKTVHJOVLN-QFBILLFUSA-N 437.422 5.108 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2Cl)C3=O)cc1 2296867940 ICAZQFGVSBXSKP-UHFFFAOYSA-N 441.266 5.837 30 10 IKEE Cc1ccc(C(O)=C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 2296923989 LSMHGTKATUANNY-HSZRJFAPSA-N 429.516 5.507 30 10 IKEE COc1ccc(C=CC(=O)Nc2sc3c(c2C#N)CCCC3)cc1COc1ccccc1 2297109218 UUYYRRKVNBNWDD-UHFFFAOYSA-N 444.556 5.738 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1 2314430160 XPEVCPSBXSTOIZ-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE O=C(C=Cc1ccco1)Nc1cccc(C(=O)C=Cc2ccc(-c3cccc(Cl)c3)o2)c1 2314523317 QHYAPSYBOZBWRN-UHFFFAOYSA-N 443.886 6.741 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(OCCCC)c(OC)c2)SC1=Nc1nc(C)cs1 2314543937 PMBQIUFDULQWQJ-UHFFFAOYSA-N 443.594 5.429 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1c(Cl)cccc1Cl 2318571873 VAGPYLJPZCQXBH-UHFFFAOYSA-N 439.799 6.365 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(C(C)C)cc1)O3)CN([C@@H]1CCCC[C@@H]1C)CO2 2322153289 XNGDXWUEBJXMMV-FDDCHVKYSA-N 431.576 6.465 30 10 IKEE O=C(COc1ccccc1C=CC(=O)c1ccc(-c2ccccc2)cc1)NCc1ccco1 2322286971 UUMSIRVESALFRH-UHFFFAOYSA-N 437.495 5.538 30 10 IKEE CCc1ccc(NC(=O)COc2ccccc2C=CC(=O)c2ccc3c(c2)CCCC3)cc1 2322328620 LXEITLPMQWRNKE-UHFFFAOYSA-N 439.555 6.041 30 10 IKEE Cc1ccc(CCN2COc3c(cc4c(c3C)OC(=Cc3sccc3C)C4=O)C2)cc1 2322436580 WEGHNOSNMRBUIT-UHFFFAOYSA-N 431.557 5.684 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1cccc2ccccc12)c1ccc([N+](=O)[O-])cc1 2322474760 NHNGPPZNFKRKII-UHFFFAOYSA-N 443.886 6.877 30 10 IKEE Cc1ccc(C(=O)C=Cc2c(OCc3ccccc3Cl)ccc3ccccc23)c(C)c1 2322570096 RFSARCSAXHSKSW-UHFFFAOYSA-N 426.943 7.585 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(ccc(OC(=O)C4CCCCC4)c3C)C2=O)cc1 2322747999 XXNUFLUCBPAJBA-UHFFFAOYSA-N 433.548 5.943 30 10 IKEE C=C(C)COc1ccc(Cl)cc1C=CC(=O)c1ccc(OCCCCCCC)cc1 2322762859 GAYVRCYRPXZMGU-UHFFFAOYSA-N 426.984 7.540 30 10 IKEE COC(=O)COc1ccc(Br)cc1C=CC(=O)c1c(C)c(C)cc(C)c1C 2322839846 YOLFONNUMGUTEQ-UHFFFAOYSA-N 431.326 5.131 30 10 IKEE Cc1cc(OC(=O)c2cccc(Cl)c2)cc2c1C(=O)C(=Cc1ccc(Cl)cc1)O2 2322907715 AGBWMMGPBBAKCY-UHFFFAOYSA-N 425.267 6.137 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2ccc(C)cc2)c(OCC)c1 2322922485 BNBXJVUQIQARGB-UHFFFAOYSA-N 446.543 6.276 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cc(Cl)ccc1OCc1cccc(C)c1 2322926327 AHVYGBNMWCPUMS-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE CN(C)c1ccc(C=C2Oc3cc(OC(=O)C=Cc4ccc(F)cc4)ccc3C2=O)cc1 2323044113 SNTGZAUVAKRAML-UHFFFAOYSA-N 429.447 5.127 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(OC(=O)C=Cc4ccc(F)cc4)c3C)C2=O)cc1 2323046679 IGMLLAGTBZAFBC-UHFFFAOYSA-N 444.458 5.768 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3ccccc3C)c2)cc1 2323063394 SOFNPSSAOSBXIU-UHFFFAOYSA-N 429.516 5.480 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1OCC(=O)Nc1cc(C)ccc1C 2323120188 DKIGFNFSZGYWCU-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE Cc1c(OC(=O)c2cnccn2)ccc2c1OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2323202833 ONMMMTYMKIRTHS-UHFFFAOYSA-N 434.451 5.287 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 2323464721 AETNSOIQTZNJMS-UHFFFAOYSA-N 445.773 7.684 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 2323536112 LOQRFEVIYRQXJS-UHFFFAOYSA-N 439.382 7.811 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccccc1)C2=O)c1cccc(Oc2ccccc2)c1 2323559866 PSISIOQECLDNSD-UHFFFAOYSA-N 434.447 6.314 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)ccc1OCC(=O)Nc1ccc(C)cc1 2323620156 CADLSYHSSUZQBD-UHFFFAOYSA-N 449.934 5.961 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)ccc1OCC(=O)N[C@@H](C)c1ccccc1 2323627021 SPIQZFWZICDGBY-SFHVURJKSA-N 449.934 5.501 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2Cl)c1 2323943761 CQMWPZFRQHMFMJ-UHFFFAOYSA-N 447.962 6.487 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OCC(=O)OCC(C)C 2324074561 LXNQMNCXVJCWSG-UHFFFAOYSA-N 438.564 5.857 30 10 IKEE COc1ccc(C=C2Oc3cc(OCCc4ccc(C)cc4)cc(C)c3C2=O)c(OC)c1 2325369910 HLPPCTHFZVCWFT-UHFFFAOYSA-N 430.500 5.558 30 10 IKEE COc1ccc(CCOc2cc(C)c3c(c2)OC(=Cc2ccc(OC)cc2OC)C3=O)cc1 2325631565 XLESZCODPHFVOG-UHFFFAOYSA-N 446.499 5.259 30 10 IKEE C[C@@H](C(=O)Oc1cccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)c1)c1ccccc1 2325669588 HRXJLSUYGORADY-JOCHJYFZSA-N 432.519 6.959 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccccc2-c2ccccc2)c1)c1cccc([N+](=O)[O-])c1 2325690154 KZUPZDFCKKIROS-UHFFFAOYSA-N 449.462 6.377 30 10 IKEE O=C(Oc1cccc(C=CC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(F)cc1F 2325709921 VXZDYUIHRYFPAB-UHFFFAOYSA-N 433.237 6.387 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC(=O)C(C)(C)C)c(OC)cc2Br)cc1 2325718831 BAAQKZANNVCARG-UHFFFAOYSA-N 447.325 5.314 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cccc(OC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)c2)c1 2325740981 QLMASDQCGKDLLH-BJKOFHAPSA-N 430.931 6.562 30 10 IKEE O=C(C=Cc1cccc(OC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)c1)c1ccc2c(c1)OCO2 2325747688 KGMPLUPAWYBYGV-LEWJYISDSA-N 446.886 5.674 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1OC(=O)Cc1ccc(C)cc1 2325756387 SZQYXKKULALLNU-UHFFFAOYSA-N 442.555 6.282 30 10 IKEE COc1cc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccco3)c2)c(OC)cc1Cl 2325758444 AEDGZIYFOZPUET-UHFFFAOYSA-N 442.851 5.074 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OC(=O)c1ccc(C(C)(C)C)cc1 2325759817 CDKZWBYXGPNVRV-UHFFFAOYSA-N 442.555 6.725 30 10 IKEE C=CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1ccccc1F 2325905634 NGCYTZGJSGTZHY-UHFFFAOYSA-N 438.572 5.762 30 10 IKEE CCCOc1ccc(C=Nn2c(C)nnc2SCc2ccccc2Cl)cc1[N+](=O)[O-] 2326545802 KUCNPXTYRAHYNC-UHFFFAOYSA-N 445.932 5.111 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1cccc(OCC)c1O 2326603339 AEWGVKPGLZPEBD-UHFFFAOYSA-N 438.597 5.516 30 10 IKEE CCOc1ccc(OCc2nnc(SCC)n2N=Cc2cccc3ccccc23)cc1 2326660478 PKDYEUOYLQARAG-UHFFFAOYSA-N 432.549 5.403 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc(C(C)C)cc1 2326705760 GWYCCPHLGVLJSZ-UHFFFAOYSA-N 433.408 6.445 30 10 IKEE CCCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1ccc(N(C)C)cc1 2327023031 DVNJJRZSKFPMAG-UHFFFAOYSA-N 437.613 5.048 30 10 IKEE COc1cc(C=Nn2c(CCc3ccc(Cl)cc3)nnc2SC)ccc1OC(C)C 2328003288 JRGWVBQIJSFSBP-UHFFFAOYSA-N 444.988 5.117 30 10 IKEE COc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2cccs2)cc1 2328386518 RQHPYEFMZVRIAX-UHFFFAOYSA-N 436.562 5.102 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3C)n2N=Cc2ccccc2)cc1C 2328929309 RHJIRCONPCKDKH-UHFFFAOYSA-N 440.616 6.163 30 10 IKEE CCSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1cc(Cl)c(O)c(OC)c1 2328940897 RLLFKFURNXTFMW-UHFFFAOYSA-N 444.988 5.042 30 10 IKEE Cc1ccc(CCc2nnc(SCCc3ccccc3)n2N=Cc2ccncc2)cc1C 2328957828 PTUVVUNQXZQBGS-UHFFFAOYSA-N 441.604 5.292 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3F)n2N=Cc2cccnc2)cc1C 2329422129 YQHDXYNIKJMHJK-UHFFFAOYSA-N 431.540 5.194 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(F)cc2)n1N=Cc1ccc(Cl)c(Cl)c1 2329835381 FQVHGZVCXVHDAJ-UHFFFAOYSA-N 435.355 5.865 30 10 IKEE COc1ccccc1C=Nn1c(CC2CCCCC2)nnc1SCc1cccc(C)c1 2330245746 ILSCISYKBZMDKY-UHFFFAOYSA-N 434.609 5.892 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2cccc(F)c2)cc1 2330653445 FBSCZGFDNDYPPK-UHFFFAOYSA-N 433.468 5.167 30 10 IKEE Cc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4ccccc4c3)cc2Cl)c1 2330662124 TWASRTSOLGEZAW-UHFFFAOYSA-N 426.899 6.917 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)CSc3ccccc3)c([N+](=O)[O-])c2)c1 2330786068 AVUBMRCBRWTRCK-UHFFFAOYSA-N 449.484 5.197 30 10 IKEE Cc1cc(OCC(=O)Oc2ccc(C=CC(=O)c3ccccc3Cl)cc2)ccc1Cl 2330910516 PAHSIFOAVILNOO-UHFFFAOYSA-N 441.310 6.182 30 10 IKEE Cc1cccc(CSc2nnc([C@H]3CCCO3)n2N=Cc2c(F)cccc2Cl)c1 2330920352 FNVBNZAUDMQSEA-LJQANCHMSA-N 430.936 5.405 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccccc3Cl)cc2[N+](=O)[O-])c1 2330932397 QEHZZBMSOTWNAB-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3c(C)ccc(C)c3C)cc2)cc1 2330952329 RTPKLPFOHKUULW-UHFFFAOYSA-N 430.500 5.501 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)cc(Cl)c1OC(=O)CCCSC 2330973817 IOGKDVLXNRVKTP-UHFFFAOYSA-N 448.968 5.692 30 10 IKEE Cc1ccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2[C@H]2CCCO2)cc1 2330996115 LNWPAYBHAFSAKL-LJQANCHMSA-N 447.391 5.919 30 10 IKEE CCSc1nnc(-c2ccco2)n1N=Cc1ccc(OCc2ccccc2)c(OC)c1 2331194944 AQGGUXSNOCESCV-UHFFFAOYSA-N 434.521 5.120 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)c(F)c3)c(Cl)c2)c1 2331320330 ZPBLCIVDCCDJLM-UHFFFAOYSA-N 426.846 6.350 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(F)c3)cc2)c1 2331451399 ZRCAPEVBAZVEAV-UHFFFAOYSA-N 434.463 5.277 30 10 IKEE Cc1ccc(C=Nn2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2C2CCC2)cc1 2331488513 BGFAZGWMWJDUOK-UHFFFAOYSA-N 433.581 5.084 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(Br)c1OC(=O)CC(C)(C)C 2331534371 WSOQLESXCRUHFH-UHFFFAOYSA-N 449.316 5.835 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2OC)CC1 2331540140 NGYJNYYLFVIBEA-UHFFFAOYSA-N 438.539 6.632 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(C)c3C)cc2)cc1 2331612387 PBDYNJCQTIDCGG-UHFFFAOYSA-N 442.555 6.309 30 10 IKEE CC(C)c1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1cccc2ccccc12 2331682851 INYOVCWBANCJNB-UHFFFAOYSA-N 447.539 5.307 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)cc2)cc1C 2331705111 CJAMNRQGWXQYPP-DNQXCXABSA-N 430.931 6.562 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)c1cccc(F)c1 2331709942 JWGMYTAWYIOJKX-UHFFFAOYSA-N 444.502 6.295 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)ccc1OC(=O)CC(C)C 2331750467 BPVSNFOYYKAOBN-UHFFFAOYSA-N 430.928 5.903 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1[N+](=O)[O-])c1ccncc1 2331860796 OLWKUYUBIDDPTA-UHFFFAOYSA-N 443.242 5.412 30 10 IKEE COc1cc(Br)cc(/C=N/c2cccc(-c3nc4cc(C)ccc4o3)c2)c1O 1513952 XGSXFNAQDLYQFS-WYMPLXKRSA-N 437.293 6.031 30 10 IKEE C#CCOc1ccc(Br)cc1/C=C1/SC(Nc2ccc(C)c(C)c2)=NC1=O 6432390 SPNDKSVUMWIOAY-XDHOZWIPSA-N 441.350 5.160 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)c2ccc(C(F)(F)F)cc2)nc2c(C)cccc12 12240910 HVPZLKRUMLARCE-UHFFFAOYSA-N 435.409 5.180 30 10 IKEE COc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@H](C)C3)[C@@H]2c2ccccc2)cc1 17102302 PBICLIAEHRNSOA-CLYVBNDRSA-N 438.527 5.762 30 10 IKEE CC(C)c1ccc([C@H]2C3=C(C[C@@H](c4cccs4)CC3=O)Nc3nc4ccccc4n32)cc1 19630343 MBDNFCLAAFUQDE-BCHFMIIMSA-N 439.584 6.637 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1sccc1C)N2 20687964 KXWPJCHNTNUVFP-KNKQGSTJSA-N 426.607 5.246 30 10 IKEE CC[C@@H](Sc1cc(C)c2cccc(C)c2n1)C(=O)Nc1c(C#N)cnn1-c1ccccc1 32528949 HOLDNQFBQUQZRR-OAQYLSRUSA-N 441.560 5.418 30 10 IKEE C=CCN1C(=O)c2[nH]nc(-c3cc(Cl)ccc3O)c2[C@H]1c1ccc(Cl)c(Cl)c1 39898627 DSYRMHBGZKPMDI-LJQANCHMSA-N 434.710 5.474 30 10 IKEE Cc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(Cc1ccc2c(c1)OCO2)C3 41647852 GGKZQFFUGOQXKX-MYKKPKGFSA-N 441.483 5.000 30 10 IKEE COC(=O)c1ccc(/C=C2\Oc3c(ccc4c3CN([C@H](C)c3ccccc3)CO4)C2=O)cc1 41655575 BVTQTWSTLYGWFF-SNNLMFDCSA-N 441.483 5.003 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OCc4cc(C)ccc4C)cc(C)c3C2=O)cc1 62942265 JKJXDYNOKLTWJN-YUMHPJSZSA-N 441.571 6.653 30 10 IKEE O=C1/C(=C\c2ccccc2Br)CCC/C1=C\c1ccccc1Br 72420868 IYUMKWYJTLIPIV-RFTYBOQRSA-N 432.155 6.432 30 10 IKEE CCCCCCCOc1ccc(NC(=S)NC(=O)c2ccc(O[C@@H](C)CC)cc2)cc1 100251628 HUMRQVKEULTRAU-IBGZPJMESA-N 442.625 6.340 30 10 IKEE CCCCCCCCCCCCCC(=O)Nc1ccc(NC(=O)c2ccccc2C)cc1 100442557 ULJHEBZIMNPTBD-UHFFFAOYSA-N 436.640 7.887 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1ccc(O[C@@H](C)CC)cc1 100444044 YXSDVOBPORDYRZ-NRFANRHFSA-N 434.690 7.378 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)S/C1=N/c1ccncc1Cl 101127290 OSFNFRWYTUWCHS-TVIFTAOPSA-N 444.343 6.272 30 10 IKEE CCCCCCCn1c(CCCNC(=O)Cc2ccc(Cl)cc2)nc2ccccc21 102156875 UANNKWITKQDOOX-UHFFFAOYSA-N 426.004 5.952 30 10 IKEE N#C[C@@H](C(=O)c1cc(Br)ccc1Br)c1c(Cl)cccc1Cl 160716463 KFYCUNWBWLPEBE-SNVBAGLBSA-N 447.941 6.008 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cc(C)ccc2C)c1 169933246 DCZFOBSEBXAKMH-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE CCCCCCCCCOc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1Cl 169941411 NPSQZLNIESBEGK-UHFFFAOYSA-N 439.814 8.320 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2C2CCCCC2)cc1 170031652 MLQHTHPZELEHAE-XMMPIXPASA-N 433.548 5.559 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccc(N(C)C)cc2)o1 170099921 TZAQCKFZHSSFNX-HSZRJFAPSA-N 442.471 5.183 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccc1OC(C)C 170151254 ZZRGCZOORHCBCM-XMMPIXPASA-N 429.516 5.615 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1ccncc1 170206382 OXONBKDBFCQNEC-DEOSSOPVSA-N 440.543 5.779 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccncc2)ccc1Cl 170209268 CZWDQQQUMWWFMM-OAQYLSRUSA-N 440.927 5.045 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccccc1 170231333 ABRWKXIRGOFMFM-NRFANRHFSA-N 425.912 5.260 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(F)cc1)c1ccc2c(c1)CCCC2 170239512 HKWILDHLHZWBMO-XMMPIXPASA-N 427.475 5.487 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(C(C)C)cc1 170245321 HIGUGRZOWPQVKC-RUZDIDTESA-N 427.544 6.342 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@@H]1c1c[nH]c2ccccc12 170255154 MELKGIYVGYSOKW-NRFANRHFSA-N 438.911 5.208 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccco2)cc1C(C)C 170291949 DYMBPPBFPWPFKD-QFIPXVFZSA-N 435.476 5.173 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(Cl)c3)[C@@H]2c2ccc(C)o2)c1 170300401 LXTVTZDXQGXCLL-FQEVSTJZSA-N 442.298 5.986 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(C)o2)c(OCC)c1 170302753 YQYUISHICHYGDG-QHCPKHFHSA-N 447.487 5.168 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(C)o2)c1 170304466 NAUDTQFAISFYEE-JOCHJYFZSA-N 429.428 5.131 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@@H]1c1ccc(C)o1 170304887 LQAIFYGIPHAARB-HSZRJFAPSA-N 431.488 5.305 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2sccc2C)cc1 170313621 QVGOCYFWPMZABG-FQEVSTJZSA-N 437.492 5.377 30 10 IKEE CC(C)Oc1ccc([C@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2ccc(C(C)(C)C)cc2)cc1 170473337 POWWYNOLINKJDR-QHCPKHFHSA-N 435.564 5.896 30 10 IKEE Cc1cccc(N=C2S/C(=C/c3c[nH]c4ccc(Br)cc34)C(=O)N2C)c1C 252620928 MPHGYVPESXJXRT-RNBDAGHHSA-N 440.366 5.781 30 10 IKEE CCCN1C(=O)/C(=C\c2ccc(OCC)c(OC)c2)SC1=Nc1ccc(OCC)cc1 252628206 SKXGJPMPICTUNM-KGXUUABDSA-N 440.565 5.507 30 10 IKEE C=CCn1c(-c2ccccc2)csc1=NN=c1scc(-c2ccccc2)n1CC=C 254444670 LSOKARJYSPXDOU-UHFFFAOYSA-N 430.602 5.535 30 10 IKEE C=C(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@H]3[C@]4(C)CC[C@@H](O)[C@@]3(C)CO)[C@@H]12 256965880 RFCPTXGFYWKJJB-DTDUNKPJSA-N 442.728 6.997 30 10 IKEE CCCCCCCCNc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1 257670000 ZKEXNUMJOKAHTB-UHFFFAOYSA-N 442.669 6.102 30 10 IKEE C=C(COCC)[C@H](NCCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 407087592 KIGSYQSBKGENDP-SFHVURJKSA-N 427.383 5.430 30 10 IKEE COc1cccc(/C=N/C[C@]2(O)CC[C@@H]3[C@H]4CC[C@@H]5CCCC[C@]5(C)[C@@H]4CC[C@]32C)c1O 504255765 PFLCXOYUUHWAGR-QKCVJHPASA-N 439.640 5.984 30 10 IKEE Cc1cc(C)cc(CSc2nnc(Cc3ccccc3)n2/N=C\c2cccc(F)c2)c1 526810830 OLOGUZPIPTYQTC-YUMHPJSZSA-N 430.552 5.799 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1ccc(OC(C)(C)C)cc1 526811224 FMHJBFDWADJZBY-QQXSKIMKSA-N 436.625 6.199 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1cccc(Cl)c1Cl 526822961 PQXCAXWRECXZMC-MXAYSNPKSA-N 444.391 5.974 30 10 IKEE CCCOc1ccc(/C=N\n2c(CCC)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1 526828343 BFDVGMOEVNEOKS-HAHDFKILSA-N 439.541 5.102 30 10 IKEE O=S(OCCc1ccc(-c2ccccc2)cc1)OCCc1ccc(-c2ccccc2)cc1 606516890 QLDQLMGRVMYWCG-UHFFFAOYSA-N 442.580 6.418 30 10 IKEE C[C@H]1N(C(=O)OC(C)(C)C)CCC[C@@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 698346720 BLYAVJIXHRRBLA-KOSHJBKYSA-N 429.561 5.105 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)c1 698425746 CGGOWDXTFZSJPR-MZNJEOGPSA-N 445.560 5.118 30 10 IKEE COc1cc([C@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)cc(Br)c1O 698426514 RQWVDSAROLZAPC-KRWDZBQOSA-N 447.329 5.165 30 10 IKEE COc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2C)c(Br)c1 698480001 YLTJITNKOJEOLZ-IBGZPJMESA-N 431.330 5.773 30 10 IKEE CSc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)cc1 698491204 XNPUBOUJWLBXCF-GOSISDBHSA-N 433.371 6.177 30 10 IKEE CC[C@@](C#N)(C1CN(C(=O)OC(C)(C)C)C1)N(C(=O)OC(C)(C)C)c1ccccc1F 716132950 CRYIILWQWQLPMR-HSZRJFAPSA-N 433.524 5.106 30 10 IKEE C[C@@H]1CC[C@]2(/N=C\c3ccccc3O)Oc3ccccc3[C@H](/N=C/c3ccccc3O)[C@@H]2C1 1084061980 OWYKDRRRWCDWCE-ADZUIKTFSA-N 440.543 5.902 30 10 IKEE COc1ccc(C=Nc2ccc(S(=O)(=O)Nc3c(C)cc(C)cc3C)cc2)cc1OC 1084159178 AEWXHVXYAYTJRO-UHFFFAOYSA-N 438.549 5.180 30 10 IKEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2Nc2cnn([C@H]3CC3(F)F)c2)cc1 1286796590 NTKXDIUENBVHPT-IBGZPJMESA-N 442.514 5.000 30 10 IKEE C=CCCCCn1c(-c2ccccc2C)nnc1N(CC)Cc1nc(O)c2sccc2n1 1301178370 JCWRAEXGMPIZJC-UHFFFAOYSA-N 448.596 5.347 30 10 IKEE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNc2ccc(F)cc2)CCC3)cc1 1772748159 ALXNGFAMOCCIHT-UHFFFAOYSA-N 449.482 5.309 30 10 IKEE Cc1sc2nc(-c3ccccn3)n(Cc3cccc(C#N)c3)c(=O)c2c1-c1cccs1 1857804472 VIICOFFCMVNFLP-UHFFFAOYSA-N 440.553 5.477 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3F)cc2/C=N\NC(=S)Nc2ccccc2)cc1 1857810459 JMMDYGOKQMLIDW-YSMPRRRNSA-N 445.523 5.008 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc3c(OC(=O)N4CCCc5ccccc54)cccc23)c1 1858955140 XHYHCTGLBABMMX-UHFFFAOYSA-N 447.494 5.915 30 10 IKEE CCCCCCCCCNC(=O)c1ccc2c(c1)C(=O)N(CCCc1ccccc1)C2=O 1860365187 GOSOGOOGMWSUNL-UHFFFAOYSA-N 434.580 5.396 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)/C=C/c1ccc(F)cc1 1861115345 CEBVMVSDXVZTHL-JYFCICGUSA-N 442.550 5.182 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)/C=C/c1ccc2c(c1)OCCO2 1861567275 AFIYZMUUXPDMSG-KJLVKZSNSA-N 444.616 5.013 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1c(Cl)cccc1Cl 1862416422 OHWRXAUCBSIJIZ-MGNBDDOMSA-N 440.273 5.648 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1c(Cl)cccc1Cl 1862442634 GDBUNWDALGFHNS-SFHVURJKSA-N 438.738 6.025 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(C(F)(F)F)cc1 1862443867 QFDAYWPTVCMKOY-SFHVURJKSA-N 437.845 5.737 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(OC(C)C)c(OC)c1 1862453526 BZZIQLYOCPUTEV-NRFANRHFSA-N 443.927 5.124 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862506801 AYUPCLCTLVMNEW-DEOSSOPVSA-N 435.539 6.134 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCOc2ccccc2)c1 1862507357 JKGVALIRPRLSJZ-XMMPIXPASA-N 445.490 5.100 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2cccc(OCCC)c2)cc1 1862520713 PZGFMHPCLIMCDG-QHCPKHFHSA-N 435.520 5.005 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 1862521315 FHJWJIGNTZFWLJ-LJQANCHMSA-N 433.426 5.092 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccc(CC)cc2)cc1 1862530305 POYLYGHPXKVVAN-VWLOTQADSA-N 443.518 5.729 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc(C(=O)O)cc2)cc1 1862532848 GWOUBIHEZNBVET-YTJPUZGESA-N 447.531 5.104 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(F)cc2F)cc1 1862535005 VYIDQPGZQCZIKM-NRFANRHFSA-N 439.483 5.367 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc2cc[nH]c2c1 1862583600 FWJDXMJYYYJDCF-ODXCJYRJSA-N 443.330 5.852 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862713190 JFDFOVFNDWHBAN-CCLHPLFOSA-N 447.534 6.488 30 10 IKEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(Cl)cc1 1862725826 SQAWLDGABFBDAR-HSZRJFAPSA-N 447.918 5.232 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccc2ccccc12 1862756219 JVPONUFHRDRJTD-QRQCRPRQSA-N 430.460 5.125 30 10 IKEE CCCCc1ccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862776570 VOTZRNAEUMYCAH-UHFFFAOYSA-N 439.490 5.437 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C(C)C)c(C)c3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1C 1862879334 OKTXSHSUFAIYPG-UHFFFAOYSA-N 449.554 6.004 30 10 IKEE N#Cc1ccccc1NC1=C(c2cccs2)C(=O)N(c2ccc(C(F)(F)F)cc2)C1=O 1863113558 YWHNTEQNOGOTDV-UHFFFAOYSA-N 439.418 5.035 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(Cl)cc2C)=C(c2ccccc2F)C1=O 1863296286 KXOHSTMPAXPUBM-UHFFFAOYSA-N 442.962 6.340 30 10 IKEE CCCCCCCCNC1=C(c2ccc(C)c(C)c2)C(=O)N(CCOc2ccccc2)C1=O 1863605097 CEFLJORGZZOEEP-UHFFFAOYSA-N 448.607 5.412 30 10 IKEE CCCCCCCCNC1=C(c2cc(C)ccc2C)C(=O)N(CCCc2ccccc2)C1=O 1863742210 VBDBBKSTBSBISR-UHFFFAOYSA-N 446.635 5.966 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H](C)c2ccc(OC)cc2)=C(c2cccs2)C1=O 1863805367 UHZIZMYZAYDAFE-GOSISDBHSA-N 440.609 5.548 30 10 IKEE CC(C)N1CCN(c2cc(Nc3cccc(C#N)c3)nc(C(C)(C)C)n2)c2ccccc21 1868333430 JMMFZCYRKGXLNC-UHFFFAOYSA-N 426.568 5.756 30 10 IKEE N#Cc1cccc(Nc2cc(N3CC[C@H](c4ccco4)C3)nc(-c3ccc(F)cc3)n2)c1 1868444863 FMQPBPUQMBYHFN-IBGZPJMESA-N 425.467 5.485 30 10 IKEE N#Cc1ccc(Nc2cc(N3CC[C@@H](c4ccco4)C3)nc(-c3ccc(F)cc3)n2)cc1 1868466093 OYDLYLCDIBMEPX-LJQANCHMSA-N 425.467 5.485 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)C[C@H](c1ccc(OC)c(C)c1)C(C)C)c1ccccc1 1868718687 CNRKHCCSSAKCMD-IGKIAQTJSA-N 448.607 5.191 30 10 IKEE Cc1cc(C)c(Cn2nnc(C#N)c2NC(=O)/C=C/c2ccc(Cl)cc2Cl)c(C)c1 1870107672 SWBFOLZNVLTECJ-FNORWQNLSA-N 440.334 5.082 30 10 IKEE Cc1cc(C)c(Cn2nnc(C#N)c2NC(=O)[C@H](Cc2ccccc2)c2ccccc2)c(C)c1 1870108608 PHOGFAZTTHSYLR-XMMPIXPASA-N 449.558 5.088 30 10 IKEE CCCCCCCCCCn1cc(OCCCCCCC)c(=O)cc1CN(C)CCCC 1870411829 ODFNABRZSUXFPX-UHFFFAOYSA-N 448.736 7.570 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2C)c(=O)cc1CN(CCC)CCC 1870628259 ZLSYSUJBWHILHL-UHFFFAOYSA-N 440.672 6.718 30 10 IKEE CCCCCCCCCCn1cc(OCc2ccccc2C)c(=O)cc1CN(CC)CC 1870630189 YQZMQJYODAVBQB-UHFFFAOYSA-N 440.672 6.718 30 10 IKEE CCCCCCCCCCn1cc(OCCCC)c(=O)cc1CN(C)Cc1ccccc1 1870662978 DTFAGMGTCFFNBQ-UHFFFAOYSA-N 440.672 6.800 30 10 IKEE C=CCOc1cn(CCCCc2ccccc2)c(CNc2ccccc2C(C)C)cc1=O 1870812624 XRRLLYKBYOVUSO-UHFFFAOYSA-N 430.592 6.172 30 10 IKEE CCCCCCCOc1cn(C[C@H]2CCCO2)c(CNc2ccc(OC)cc2C)cc1=O 1870833245 FFRKQWFGPKTMDN-HSZRJFAPSA-N 442.600 5.306 30 10 IKEE CCCCCCCCCCn1cc(OCC(C)C)c(=O)cc1CNc1cccc(F)c1 1870858367 GIQRVWUCIRUSIZ-UHFFFAOYSA-N 430.608 6.775 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4cccc(NC(C)=O)c4)c3C)C2=O)cc1 1871365328 SFXRQCKPERCIJK-OYKKKHCWSA-N 441.483 5.351 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)CCCOc4ccccc4C)ccc3C2=O)cc1 1871369597 TZRWWDJNPBACPA-XYGWBWBKSA-N 428.484 5.684 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OC(=O)c3cccc4ccccc34)cc(C)c2C1=O 1871377981 ORLLDXZRIINOFH-HMAPJEAMSA-N 426.493 6.354 30 10 IKEE O=C(CCOc1ccccc1)Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O 1871384194 LGLBMICJQIKKBH-HMAPJEAMSA-N 438.838 5.470 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(OC)cc4)coc3c2)c1 1871388590 DWFOSNPHMPIJSQ-UHFFFAOYSA-N 444.439 5.378 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCCC(=O)OCCC(C)C)cc(C)c3C2=O)cc1 1871429119 IROGKGHPLBBGJK-HAHDFKILSA-N 438.520 5.368 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccccc2C)C3=O)c(Cl)c1 1871436117 NARSKWMIYKYBJJ-FMCGGJTJSA-N 433.891 5.591 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(ccc(OCCc4ccc(C)cc4)c3C)C2=O)cc1 1871437570 JLXVCDXQNQNGIC-DIBXZPPDSA-N 441.571 6.387 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3cccc(C)c3C)cc(C)c2C1=O 1871459697 YDRVSLYCAXXNNH-CFRMEGHHSA-N 443.499 5.254 30 10 IKEE C=CCN(CC=C)c1nc(=NCc2ccc(Cl)cc2)nc(Nc2ccc(CC)cc2)[nH]1 1871586997 SMJKHWMLPXTUDP-UHFFFAOYSA-N 434.975 5.043 30 10 IKEE CCCCCCCOc1nonc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1872697403 GZNXPLCHLCFDNW-UHFFFAOYSA-N 439.356 5.709 30 10 IKEE N#C[C@@H](C(=O)c1ccccc1Br)c1nc(-c2ccc3ccccc3c2)cs1 1872760442 ONFORRHOKUBILV-SFHVURJKSA-N 433.330 6.216 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)c2c(F)cccc2Cl)n1 1872786888 VNSHNAYPKPOHHV-CYBMUJFWSA-N 435.307 6.063 30 10 IKEE C=CCN(CC=C)C(=O)c1ccc2nc(SCc3c(Cl)cccc3Cl)[nH]c2c1 1872816467 LCKMKZHVRSALHT-UHFFFAOYSA-N 432.376 5.976 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(Nc2ccccc2C#N)=C(c2c(C)cc(C)cc2C)C1=O 1873327739 AQOIKPQRQYTQOD-JOCHJYFZSA-N 443.591 6.034 30 10 IKEE CCCCOc1ccc(/C=N/Nc2oc([C@@H]3C[C@H]3c3ccccc3)nc2C#N)cc1OCC 1873470788 QUZSXLWIMDWMQF-IEVYWPCISA-N 444.535 5.841 30 10 IKEE CCCCOc1ccc(N2CC(=O)C(c3nc(-c4ccc(F)cc4)c(C)s3)=C2N)cc1 1873529780 KSDQEEMKLBMTGI-UHFFFAOYSA-N 437.540 5.153 30 10 IKEE CCCCCCc1c(C)c2ccc(O[C@H](C)C(=O)Nc3cccc(C#N)c3)c(C)c2oc1=O 1873867382 OWPJYQKMCAYUGX-LJQANCHMSA-N 446.547 5.810 30 10 IKEE CCCCCCCCCCNC(=O)CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12 1873936247 CJVAKXIMNGHRET-RUZDIDTESA-N 447.579 5.058 30 10 IKEE Cc1cc(=O)c2cc(F)ccc2n1CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1874180777 QFGDMPYRZFJMPC-UHFFFAOYSA-N 446.322 5.125 30 10 IKEE C=CCSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1ccc(CC)cc1 1874209556 OIFBITOOTXCOTL-HZHRSRAPSA-N 441.398 5.354 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1cccc(C)c1 1874213821 HHFWQUDZDLWBJO-LFVJCYFKSA-N 426.973 5.412 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1ccccc1OC 1874252043 CJOORIAONYGRFM-PCLIKHOPSA-N 436.581 5.157 30 10 IKEE CSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(C(F)(F)F)cc1 1874267997 ALWPANOACGASJL-VULFUBBASA-N 426.467 5.645 30 10 IKEE C=CCSc1nnc(CCc2cccc(OC)c2)n1/N=C/c1cccc(OCCC)c1 1874310809 OLYUJBGLBKTVSW-XIEYBQDHSA-N 436.581 5.021 30 10 IKEE Cc1ccc(OCc2nnc(SCCc3ccccc3)n2/N=C/c2ccncc2)cc1C 1874321064 XXQYMYVBXJTWSH-WPWMEQJKSA-N 443.576 5.086 30 10 IKEE CCCSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1c(Cl)cccc1Cl 1874327683 FIIDWZFKYYIXSU-WYMPLXKRSA-N 449.407 6.165 30 10 IKEE CSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1cc(Br)ccc1F 1874329447 PDNCYZLGBJWKSU-FSJBWODESA-N 447.377 5.186 30 10 IKEE CCCSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1cccc(OC)c1OC 1874331385 KUSWDSRZOLWVIM-PCLIKHOPSA-N 438.597 5.082 30 10 IKEE C=CCSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1ccc(N(CC)CC)cc1 1874331449 NYOOAXCMWPGOAU-ZXVVBBHZSA-N 447.652 5.687 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc[nH]1 1874397611 DXUJACNYFXHEKT-WEPAEKJRSA-N 439.947 5.725 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2cccc(Cl)c2)nnc1[C@@H](C)c1ccccc1 1874401283 KPWZVNWTLFMWGB-FQNOVECQSA-N 447.007 6.566 30 10 IKEE Cc1cccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccc(O)c(O)c2)c1 1874406501 KRGFRGJIAPNXHA-MFKUBSTISA-N 436.581 5.295 30 10 IKEE C=C(C)CSc1nnc(Cc2cccs2)n1/N=C/c1c(OC)ccc2ccccc12 1874412579 QHWXFFNEBQREKZ-ZVHZXABRSA-N 434.590 5.643 30 10 IKEE COc1ccccc1/C=N/n1c(Cc2ccccc2)nnc1SCc1cccc(F)c1 1874417944 XEFJPTMJIZKNIT-WGOQTCKBSA-N 432.524 5.191 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2ccccc2)c1 1874426453 JEQFZWBHGQWBMR-WGOQTCKBSA-N 441.560 5.175 30 10 IKEE C=CCSc1nnc(-c2ccccc2)n1/N=C/c1ccc(OCCCCC)c(OC)c1 1874428841 FAFUOSKMTSLUMV-XIEYBQDHSA-N 436.581 5.683 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2cccc3ccccc23)nnc1-c1ccccc1 1874429241 ZAUWVLBGSMSZRK-MTDXEUNCSA-N 434.568 6.581 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2-c2ccccc2)cc1 1874429414 ISRNDXKYYOTHBT-WGOQTCKBSA-N 448.979 6.172 30 10 IKEE Clc1ccc(CSc2nnc([C@H]3CCCO3)n2/N=C/c2cccc3ccccc23)cc1 1874450807 JUAAEEJAEDEBRJ-QVGKIPNLSA-N 448.979 6.111 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccccc2CC)n1/N=C/c1cccc(C)c1 1874476476 NOSBSJFYDCNETA-PCLIKHOPSA-N 435.597 5.105 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2cccc(Cl)c2)nnc1C1CCC1 1874497342 GANFMVJXRSORFO-MFKUBSTISA-N 438.984 5.938 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc(OCC)cc1 1874511061 IPUUQQPKVOYKJF-ZMOGYAJESA-N 449.407 6.111 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2C(C)C)cc1OC 1874512448 YITOGVAKFUSTHT-ZMOGYAJESA-N 428.533 5.122 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(C)n2/N=C/c2ccc(Cl)cc2Cl)cc1 1874530715 XDXBFALUDOTREJ-FOKLQQMPSA-N 448.379 5.069 30 10 IKEE Fc1ccc(COc2ccc3ccccc3c2/C=N/n2c(S)nnc2C2CCCC2)cc1 1874559695 IMAAIROMWCGCPI-JFLMPSFJSA-N 446.551 5.978 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)c1 1874572211 BIUMKSKKDOLWRP-RMKNXTFCSA-N 447.745 7.131 30 10 IKEE Cc1ccc(C(=O)/C=C/c2c(OCC(=O)N[C@@H](C)c3ccccc3)ccc3ccccc23)cc1 1874579200 BKXPDLLBMIYRHH-ZJIOXEHGSA-N 449.550 6.301 30 10 IKEE CCCOC(=O)COc1c(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)cc1OC 1874586908 KYMPZNRMKLCDGB-CMDGGOBGSA-N 444.955 5.810 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3cccc(C)c3C)c2)cc1C 1874593496 MJIZQHVSCRLKAT-ACCUITESSA-N 429.516 5.534 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3C)c([N+](=O)[O-])c2)cc1 1874604943 LZMZIYTYADCISV-GXDHUFHOSA-N 444.487 5.379 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OC 1874608515 SEHQCIJLHNYZIV-ZRDIBKRKSA-N 429.944 5.272 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1Cl 1874614772 YFEJSQNKXQGJPY-WTDSWWLTSA-N 447.745 7.131 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCc3cccc4ccccc34)c(Cl)c2)c(C)c1 1874615319 RGMFCNWVJPBTCI-SDNWHVSQSA-N 426.943 7.585 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1OCc1cccc(F)c1 1874625737 UGIPBNHRJIMVHO-IZZDOVSWSA-N 439.414 5.747 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OCC(=O)Nc2nccs2)cc1 1874633544 IDFAUEFTBTZSCY-VMPITWQZSA-N 442.924 5.027 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)c2)cc1 1874698173 ZMFBJBGQUGGRJR-OCGBXIBBSA-N 432.903 5.954 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccccc3F)c2)cc1 1874700183 FROPSEWTIAMGSJ-RIYZIHGNSA-N 434.463 5.277 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OC(=O)c1ccc(-n2cccc2)cc1 1874702711 GJMLWCFASVNDCK-VIZOYTHASA-N 437.495 5.910 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(F)c(F)c3)c2)c(OC)c1 1874709658 MVYUOPPSQFXXDW-IZZDOVSWSA-N 438.426 5.026 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc(C)c(C)c3)ccc2OC)cc1 1874713926 VBOASNWIXKRQSD-VGOFMYFVSA-N 430.500 5.826 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)c(C)c3)cc2)cc1OC 1875099169 UAXSVOMIWKYTDV-KPKJPENVSA-N 434.463 5.196 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 1875106761 JOEHGUIYEVJUJB-SFQUDFHCSA-N 429.472 6.053 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cccs3)c(OC)c2)cc1 1875107784 IRIHTMOHLUOLJP-GXDHUFHOSA-N 434.557 6.144 30 10 IKEE O=C(Cc1ccccc1F)Oc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl 1875116540 GXKGCABCHYYUPM-VZUCSPMQSA-N 439.826 5.432 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)Cc1ccc(C)c(C)c1 1875127487 IEIBAWRHQWOGNN-OUKQBFOZSA-N 430.500 5.365 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc(Cl)c1OC(=O)C1CCC1 1875134129 LFDGWNIUAXRMGB-VMPITWQZSA-N 439.722 6.257 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccnc2)c(Cl)c1)c1ccc(Cl)c(Cl)c1 1875135290 JPSAENKZAQIHPN-XVNBXDOJSA-N 432.690 6.157 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2[N+](=O)[O-])c1 1875139274 AKUVHBLXPWLYNE-PKNBQFBNSA-N 443.499 5.873 30 10 IKEE CCc1ccc(C(=O)Oc2c(OC)cc(/C=C/C(=O)c3ccc(F)c(C)c3)cc2OC)cc1 1875140918 FJGVSTBFVZBMPU-MDWZMJQESA-N 448.490 5.829 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(F)c3)cc2Cl)cc1 1875161781 HJIRBKNPFIGCFT-WTDSWWLTSA-N 428.818 5.742 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)c1cnccn1 1875174757 GZYGBXLSBZEINM-SOFGYWHQSA-N 436.895 5.261 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc([N+](=O)[O-])c1OC(=O)C(C)(C)C 1875175069 XGEPCGNQZMRIDW-PKNBQFBNSA-N 425.481 5.458 30 10 IKEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)Nc3ccc(C(F)(F)F)c(Cl)c3)n[nH]2)c1C 1889729430 VDFAXSHDHPXPHT-UHFFFAOYSA-N 437.853 5.391 30 10 IKEE Cc1ccc(CN(Cc2ccccc2)[C@@H](C)c2cccs2)cc1B1OC(C)(C)C(C)(C)O1 1915406751 JOIGMDZYMNEFNO-NRFANRHFSA-N 447.453 6.119 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@H](CNC(=O)OC(C)(C)C)CC1CCCCC1 1922087247 XHEGBTSOJJRXDA-LOSJGSFVSA-N 444.660 5.849 30 10 IKEE CCCCCCCCC[C@H](O)c1c(Br)sc(Br)c1Cl 1923082073 XKBWWVCQSYIADP-JTQLQIEISA-N 432.649 7.101 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@@](C)(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)cc1 1940973324 KEXTZCQVOLBXTM-HXUWFJFHSA-N 443.466 5.572 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@](C)(NC(=O)OC(C)(C)C)C(F)F)NCCC 1981258619 GFGPOQLVPDJPJZ-XXBNENTESA-N 426.548 5.066 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Br)ccc1Cl)NC 2047974582 XDELHMHGGGHDPL-IAGOWNOFSA-N 431.802 5.093 30 10 IKEE COc1ccc(N=C2SC(=Cc3ccc(Cl)cc3)C(=O)N2[C@H](C)c2ccccc2)cc1 2053622516 BTNUFIUQQYFFJK-QGZVFWFLSA-N 448.975 6.714 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)c(Cl)c1F 2063099015 NQHCZJWSNPGFNT-CJNGLKHVSA-N 435.765 5.362 30 10 IKEE C=CC[C@H](C)[C@H](NCCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071267562 QOWWRTFTDHGJEN-IADCTJSHSA-N 429.604 7.098 30 10 IKEE CC[C@H](c1ccc(C(C)C)cc1)n1nc(C2CCC2)c(C#N)c1I 2079945478 ICSZMLWUZIHRFF-GOSISDBHSA-N 433.337 5.750 30 10 IKEE CC(C)c1ccc([C@H](C(C)C)n2nc(C(F)(F)F)c(C=NO)c2Br)cc1 2079986494 OVKHJYVEVOISBL-HNNXBMFYSA-N 432.284 5.841 30 10 IKEE C=CCCCCCCCCCC(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2086283736 ZSCAVGAJGQFAKO-XMMPIXPASA-N 445.644 6.753 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NC)c2ccc(Br)c(Cl)c2F)C1 2126685680 UDAPEBFSHOLGCD-MRXNPFEDSA-N 447.776 5.363 30 10 IKEE CCCCCCCC[C@H](NC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134724365 VRTYHDUNOAKAGZ-NDEPHWFRSA-N 445.647 7.856 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)C[C@H]2CCCC[C@@]2(C)C1 2154236931 YFUPERFSTXUUCB-URZJWIJPSA-N 433.390 6.443 30 10 IKEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNc2cc(Br)cc(C#N)c2)cc1 2162318703 RKWRDRGBZAMXJY-CQSZACIVSA-N 430.346 5.519 30 10 IKEE CC(C)(C)OC(=O)NC[C@H](Nc1ccc(C#N)c(Br)c1F)C1CCCCC1 2162410624 PQTNQLGWBCDHMY-INIZCTEOSA-N 440.357 5.345 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2c(F)cc(C)cc2Br)cc1 2173405477 QJYHJGKSACQJJC-SFHVURJKSA-N 433.321 6.211 30 10 IKEE CN(C(=O)OC(C)(C)C)[C@H](CNc1ccc(C#N)c(Br)c1)c1ccccc1 2175022031 GAEWOQWJVSFPLS-LJQANCHMSA-N 430.346 5.341 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(Nc2cccc(Br)c2)CC12CCCC2 2194581992 FVKMSGOGTUZUNP-HXUWFJFHSA-N 434.378 5.467 30 10 IKEE N#Cc1ccc(NC[C@]23CCC[C@@H]2CCN3Cc2ccccc2)c(F)c1Br 2197385909 YKHMYSPPXMLQNA-XMSQKQJNSA-N 428.349 5.317 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)C1(C#N)CC2(C[C@H]2C(F)(F)F)C1 2205165536 VFRNPRODFWCGEJ-RWBZWWBESA-N 445.279 5.815 30 10 IKEE Cc1ccc(Br)c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)c1 2228068812 FQUFWRYMUFKBEP-GOSISDBHSA-N 435.749 6.417 30 10 IKEE C=C(F)C[C@H](NCCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229114340 PHVIYAYABWWJPO-ROUUACIJSA-N 429.374 5.126 30 10 IKEE C=CCCC1([C@H](CCCOCc2ccccc2)NCCC)CN(C(=O)OC(C)(C)C)C1 2247405747 BVRNVNADASVCBP-QHCPKHFHSA-N 430.633 5.555 30 10 IKEE C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1 2255822587 OQJSTGKQBFLGOY-KRWDZBQOSA-N 439.792 5.080 30 10 IKEE C=C(C)CCCC[C@H](NCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2271839938 WXSJHSWUGFRETM-NDEPHWFRSA-N 443.631 7.632 30 10 IKEE C=CCN(CC[C@@H](NCC)c1cc(F)cc(Br)c1F)C(=O)OC(C)(C)C 2272736541 YGZJRLLNPYXOOJ-MRXNPFEDSA-N 433.337 5.191 30 10 IKEE Cc1cc(C=C2SC(=Nc3ccc(F)cc3)NC2=O)c(C)n1-c1ccc2ccccc2c1 2293998835 HEJKRQGKQJHNKF-UHFFFAOYSA-N 441.531 6.278 30 10 IKEE CC(C)c1ccc([C@@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2CCc2ccccc2)cc1 2297469898 KSLNEJOAAJBDPU-RUZDIDTESA-N 425.528 5.474 30 10 IKEE C#CCOC(=O)C=Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1 2314019556 OTLIBRZUDYKLQB-UHFFFAOYSA-N 440.120 5.525 30 10 IKEE CCN1C(=O)C(=Cc2ccc(-c3ccccc3Cl)o2)SC1=Nc1ccncc1Cl 2314542795 OSFNFRWYTUWCHS-UHFFFAOYSA-N 444.343 6.272 30 10 IKEE Cc1cccc(N=C2SC(=CC=Cc3ccco3)C(=O)N2c2cccc(C)c2C)c1C 2314600308 ZSSOKLHEPSQENH-UHFFFAOYSA-N 428.557 6.878 30 10 IKEE Cc1ccc(CSc2nncn2N=Cc2ccccc2COc2ccccc2)c(C)c1 2318574265 IVZHTWUBQDYKBW-UHFFFAOYSA-N 428.561 5.648 30 10 IKEE COc1cc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CC2)cc(Cl)c1O 2320858301 OWSHMWMACSNNSA-UHFFFAOYSA-N 449.363 5.351 30 10 IKEE COC(=O)c1ccc(COc2ccc3c(c2C)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1 2321856604 JUGSUYGATLEZJD-UHFFFAOYSA-N 442.511 6.100 30 10 IKEE O=C1C(=Cc2ccc(Cl)c(Cl)c2)Oc2c1ccc1c2CN(Cc2ccncc2)CO1 2321979040 URFNPNHIUSVKIU-UHFFFAOYSA-N 439.298 5.357 30 10 IKEE CCCCOCCCN1COc2ccc3c(c2C1)OC(=Cc1ccccc1Cl)C3=O 2322143577 KWFWQGSSCHUWPD-UHFFFAOYSA-N 427.928 5.315 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccccc1)O3)CN(C[C@@H](O)c1ccc(Cl)cc1)CO2 2322234404 LRXZGYNEWYATHW-OAQYLSRUSA-N 447.918 5.150 30 10 IKEE COc1ccccc1CN1COc2c(cc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)C1 2322318074 HMUNSVCGJRBCHR-UHFFFAOYSA-N 431.463 5.111 30 10 IKEE COc1ccccc1CN1COc2c(cc3c(c2C)OC(=Cc2ccc(Cl)cc2)C3=O)C1 2322319012 YTBNYDXOUALBKZ-UHFFFAOYSA-N 447.918 5.625 30 10 IKEE COc1cc(Br)cc(C=CC(=O)c2ccc3ccccc3c2)c1OCCCO 2322327838 HJJYXPKNLMDPKQ-UHFFFAOYSA-N 441.321 5.268 30 10 IKEE Cc1ccc(C)c(COc2ccc(Cl)cc2C=CC(=O)c2ccc3c(c2)CCCC3)c1 2322335804 XSQIHTFHHORDOW-UHFFFAOYSA-N 430.975 7.311 30 10 IKEE CCc1ccc(C(=O)C=Cc2c(OCC(=O)Nc3nccs3)ccc3ccccc23)cc1 2322353695 OETQKGJMAKSESO-UHFFFAOYSA-N 442.540 5.772 30 10 IKEE CCc1ccccc1NC(=O)COc1c(C=CC(=O)c2cc(C)ccc2C)cccc1OC 2322624111 RKDYRPPZIWLNAJ-UHFFFAOYSA-N 443.543 5.788 30 10 IKEE CCCOc1ccc(Br)cc1C=CC(=O)c1cc(OC)c(Cl)cc1OC 2322872223 JOZWOVVJNBOYDV-UHFFFAOYSA-N 439.733 5.805 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2323374551 HFXDPCLYLBMDSR-UHFFFAOYSA-N 448.902 5.811 30 10 IKEE Cc1cc(OC(=O)CC2CCCCC2)cc2c1C(=O)C(=Cc1c(F)cccc1Cl)O2 2323486073 GBDRLLABIZHCKK-UHFFFAOYSA-N 428.887 6.280 30 10 IKEE Cc1ccc(COc2ccc(C=CC(=O)c3ccccc3Cl)cc2Br)cc1 2323603953 RFKNLFCQENYVLN-UHFFFAOYSA-N 441.752 6.886 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(OC)c1OCc1ccc(Cl)cc1 2323790081 FZXMYKAVLXMLQG-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE Cc1cc(OC(=O)CCc2cccs2)cc2c1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)O2 2323975078 ZIUPNGHYJJPQLL-UHFFFAOYSA-N 435.457 5.119 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(C=CC(=O)c3cc(OC)ccc3OC)cc2)cc1 2324014889 OSOHEKCXPBPFLR-UHFFFAOYSA-N 445.515 5.180 30 10 IKEE CCCCN(CC)Cc1c(O)cc(C)c2c1OC(=Cc1ccc(N(CC)CC)cc1)C2=O 2324123965 SADZFGOKXNWHIZ-UHFFFAOYSA-N 436.596 5.785 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OCC(=O)N(CC)CC 2324141174 XTZZPKBHFSATRI-UHFFFAOYSA-N 431.532 5.382 30 10 IKEE Cc1cc(O)c(CN2CCC(C)CC2)c2c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O2 2324151891 BDVIRJRVXKQUTI-UHFFFAOYSA-N 432.347 5.856 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(OC)c1OCc1cc(C)ccc1C 2324155944 VPLPVTWADQMANL-UHFFFAOYSA-N 444.571 6.919 30 10 IKEE CCc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccc(F)cc4)cc(C)c3C2=O)cc1 2324319362 XZIJYVHXCUHUAC-KRWDZBQOSA-N 445.490 5.719 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OCc2ccc(C)cc2)c(Cl)c1 2324534776 KPQUFBMYCWBOAZ-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OCC(=O)NCc1ccco1 2324561586 UPFHOBZSQWXVRN-UHFFFAOYSA-N 447.531 5.195 30 10 IKEE CCOc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1OC 2324672639 HMHYBSZHVBEKHP-GOSISDBHSA-N 443.528 5.588 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cccc(Br)c1 2325604792 LFOIONNGNBQZME-UHFFFAOYSA-N 435.778 5.431 30 10 IKEE CCCCCCCCNC(=O)[C@@H](C)NC(=O)C=Cc1ccc(OCc2ccccc2)cc1 2325709204 JZPPBGNOHIGVQF-JOCHJYFZSA-N 436.596 5.260 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)[C@H]3C[C@H]3c3ccccc3Cl)c2)cc1C 2325715129 GCNUFABAGJIPKC-GOTSBHOMSA-N 446.930 6.262 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)cc1 2325715980 RHEWCOLLAAFOAW-UHFFFAOYSA-N 442.515 5.003 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1OC(=O)Cc1ccccc1Cl 2325724856 NNQPEFVASFXRQP-UHFFFAOYSA-N 442.845 5.671 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1OC(=O)CCOc1ccccc1 2325725332 LNWBAIFADAHODR-UHFFFAOYSA-N 438.426 5.244 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OC(=O)c1ccc(OC(C)=O)cc1 2325735310 BCWJBNYACGPJQW-UHFFFAOYSA-N 444.483 5.353 30 10 IKEE CSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1ccccc1Cl 2325901927 WVBGUYIISWDZFV-UHFFFAOYSA-N 428.989 5.721 30 10 IKEE CCCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1cccc(OC)c1 2326020550 HAIFETRURJXRFN-UHFFFAOYSA-N 444.988 5.336 30 10 IKEE Cc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccccc1OCc1ccccc1 2326238457 SOIDKKQJXFHSHG-UHFFFAOYSA-N 432.524 5.479 30 10 IKEE CCOc1ccccc1C=Nn1c(CC)nnc1SCc1ccc(Cl)cc1Cl 2326707749 SFPAVEQPVQEJEA-UHFFFAOYSA-N 435.380 5.721 30 10 IKEE C=C(C)CSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(OC)c(O)c1 2327745666 FXMCJWMBOXHKQW-UHFFFAOYSA-N 444.560 5.287 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2)n1N=Cc1ccc(OCC)cc1 2328744592 ZGHLDASRXIKZFW-UHFFFAOYSA-N 436.581 5.239 30 10 IKEE CCCOc1c(C=Nn2c(CCc3ccc(C)c(C)c3)nnc2SC)cccc1OC 2328920874 VAYOIRJFJHQVQA-UHFFFAOYSA-N 438.597 5.082 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2N=Cc2ccc(O)cc2)c1 2329404047 SFCFKZDFGSCKNB-UHFFFAOYSA-N 442.588 5.674 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2N=Cc2cccs2)cc1 2330032552 MVPKJCBQCOTQQY-UHFFFAOYSA-N 439.009 6.067 30 10 IKEE Cc1ccc(CSc2nnc([C@H](C)c3ccccc3)n2N=Cc2cccc(F)c2)cc1 2330050174 JXHIWNXQBDWOAO-LJQANCHMSA-N 430.552 6.052 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccc(F)cc2)n1N=Cc1cccc(F)c1 2330064090 ZOSLQCBIIUCELK-KRWDZBQOSA-N 434.515 5.883 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2cccs2)n1N=Cc1c[nH]c2ccccc12 2330330889 WSIPMHYCYBYKKH-UHFFFAOYSA-N 443.601 5.895 30 10 IKEE Fc1cccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2-c2ccccc2)c1 2330707455 YEXNKMZHHZOKSE-UHFFFAOYSA-N 440.906 6.051 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)COCc3ccccc3)c([N+](=O)[O-])c2)cc1 2330750150 ORUVXYCIVACONQ-UHFFFAOYSA-N 445.471 5.176 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1OC(=O)CC 2330819299 JIZIGULTCAMZSD-UHFFFAOYSA-N 438.263 5.512 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccco3)n2N=Cc2ccc(C(F)(F)F)cc2)cc1 2331166068 KTGXPNGLKFWFLA-UHFFFAOYSA-N 442.466 6.040 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2[N+](=O)[O-])cc1 2331170386 GHOZTQUDEPLLOY-UHFFFAOYSA-N 429.472 5.592 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2)cc1 2331313597 ZQOIBSPIRHQRDP-UHFFFAOYSA-N 428.528 6.136 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)COCc3ccccc3)c([N+](=O)[O-])c2)c1 2331322959 NRCITBCRILQYMY-UHFFFAOYSA-N 445.471 5.230 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)c1cccnc1 2331339839 BSCURDDTJLRPTK-UHFFFAOYSA-N 439.870 5.697 30 10 IKEE COc1cc(C=Nn2c(SCc3ccccc3)nnc2C(C)(C)C)ccc1OC(C)C 2331394706 NZMMASBANOBECI-UHFFFAOYSA-N 438.597 5.546 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2C2CCC2)cc1 2331484707 MYOWLYDFWDNISS-UHFFFAOYSA-N 434.609 6.207 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)C(C)C)c(OC)c2)cc1 2331545906 YMPSIRMYYNRCNQ-UHFFFAOYSA-N 438.564 6.502 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)cc1OC 2331640529 VDSYOUVQMVMQPE-UHFFFAOYSA-N 437.319 6.002 30 10 IKEE CCCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1N=Cc1ccc(C(C)C)cc1 2331664028 QXBMKOGNIKXIOV-LJQANCHMSA-N 449.624 5.206 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C(C)C)c1 2331716281 KCOUMPHJIMBLGF-UHFFFAOYSA-N 432.952 5.767 30 10 IKEE CC(=CCCC=C(C)CCC=C(C)CC[C@H]1OC1(C)C)CCC=C(C)CC[C@@H]1OC1(C)C 2333213057 KABSNIWLJXCBGG-HNRBIFIRSA-N 442.728 9.027 30 10 IKEE CC1(C)OB(C=Cc2ccc(N[C@@H]3CCCN(Cc4ccccc4)CC3)nc2)OC1(C)C 2339543686 VAPHCGPYXVAMBF-HSZRJFAPSA-N 433.405 5.193 30 10 IKEE CC1(C)OB(C=Cc2ccc(Oc3ccccc3I)nc2)OC1(C)C 2339585830 VGWDYKLZXKUBSY-UHFFFAOYSA-N 449.097 5.123 30 10 IKEE CCCN[C@@H](C#Cc1nc(C)cs1)c1csc(Br)c1Br 2363732351 ISACFTYCBIBQKT-NSHDSACASA-N 434.222 5.130 30 10 IKEE CC[C@@H](N[C@@H]1CCCCN(Cc2ccccc2)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363835813 HQPQSWPMULZEPV-CLJLJLNGSA-N 448.460 5.081 30 10 IKEE CN(C)c1ccc(/C=N/c2cccc(C3=NN(c4ccccc4)[C@@H](c4ccccc4)C3)c2)cc1 15773871 XJCLWQGEPDAIFS-ZBISPMLPSA-N 444.582 6.859 30 10 IKEE CC(C)c1ccc([C@@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccccc4)nn32)cc1 17097181 TUPMRFYKVIUXDC-HSZRJFAPSA-N 430.577 5.716 30 10 IKEE COc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(Cl)c(Cl)c2)C3)c(OC)c1 20882802 MMJDZMSTIUXNHY-BBRMVZONSA-N 446.330 5.015 30 10 IKEE Cc1ccc(CSc2nnc(NN=C(Cc3ccccc3)Cc3ccccc3)[nH]2)cc1 20908552 CIDAEAXYQKKOBW-UHFFFAOYSA-N 427.577 5.659 30 10 IKEE CCOc1cc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(Cl)c(Cl)c2)C3)ccc1O 21236354 XIUHSJGPQZCTLQ-HUUCEWRRSA-N 446.330 5.102 30 10 IKEE COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1Cl 21258246 JMKQPZPKJUSTDK-MYYSRTQBSA-N 436.964 6.390 30 10 IKEE COc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccc(N(C)C)cc1)C2 21259736 COXYYNZAXCMJID-VKGTZQKMSA-N 439.559 5.741 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)Nc3ccc(Cl)c(Cl)c3)ccc21 22508515 HUACALWBHRBESY-UHFFFAOYSA-N 434.323 5.575 30 10 IKEE Cc1ccc(C)c(N/C(=N\C(=O)c2ccc(C(C)(C)C)cc2)NCc2c(C)nn(C)c2C)c1 32972318 PITBOYUQAJHIRV-UHFFFAOYSA-N 445.611 5.349 30 10 IKEE CC(C)c1ccc(/C=C2/CN(Cc3ccccc3)C/C(=C/c3ccc(C(C)C)cc3)C2=O)cc1 34262965 HWIJGHAHEVQVHH-RLVGRCEOSA-N 449.638 7.485 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc3C2=O)c1 38320846 LLJRWEDZFHACBA-IWIPYMOSSA-N 428.484 5.828 30 10 IKEE Cc1ccc(COc2ccc(/C=C3\S/C(=N/c4cccc(C)n4)N(C)C3=O)cc2)cc1 39863220 AIYSGKYWRVBEFI-YEVPVSBLSA-N 429.545 5.511 30 10 IKEE COc1cc(/C=C2\S/C(=N/c3ccncc3Cl)N(C3CCCCC3)C2=O)ccc1O 39864621 IFYTXGTVERBPLD-QNARCQNLSA-N 443.956 5.386 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1ccc(C(C)C)cc1 40098404 SHFUAGANQCLEGQ-HSZRJFAPSA-N 447.531 5.943 30 10 IKEE C=CCc1ccccc1OCCCCn1c(COc2ccccc2C)nc2ccccc21 40233869 FKKNSDLJRJPUBA-UHFFFAOYSA-N 426.560 6.511 30 10 IKEE CCCCOc1ccc(C(=O)/N=C(/NCc2ccncc2)Nc2cccc(CC)c2)cc1 45940663 PMPJFNZVZZZENT-UHFFFAOYSA-N 430.552 5.221 30 10 IKEE Cc1ccc(/C(CSc2nc3ccccc3[nH]2)=N\Nc2ccc([N+](=O)[O-])cc2)c(C)c1 59460534 SHDDFHAHIITGEX-QYQHSDTDSA-N 431.521 5.696 30 10 IKEE C=C(C)[C@H](C)CC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CC[C@@H](C)C(=C)C 86022414 LYHFPFHWBXEUPX-VBKUXKTNSA-N 438.784 11.097 30 10 IKEE in-vitro COc1ccc(N(C(C)=O)c2nc(/C=C\C(=O)c3ccc(Cl)cc3Cl)cs2)cc1 96924474 LHVOLNHFJWJWRS-WMZJFQQLSA-N 447.343 6.039 30 10 IKEE CCCCCCCOc1ccc(NC(=O)CNc2ccc(C(=O)OCCC)cc2)cc1 100062058 BUXWEJOHYWSAJG-UHFFFAOYSA-N 426.557 5.653 30 10 IKEE Cc1cc(C)c2nc(N3C(=O)C(=O)/C(=C(\O)c4ccco4)[C@@H]3c3ccc(F)cc3)sc2c1 102503282 GXLJAAWPPLNJED-HUZQBFDWSA-N 448.475 5.272 30 10 IKEE CCCc1nnc(SCc2ccc(Br)cc2)n1/N=C\c1ccc(C)cc1 135882549 BISSKDIEWOYGIF-XKZIYDEJSA-N 429.387 5.476 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccc(O)cc2)c1 169960439 AVYMGCODVQXZII-DEOSSOPVSA-N 443.499 5.191 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(OC(C)C)cc1 169978833 ZLIDLQPEAONXAB-QFIPXVFZSA-N 441.955 5.896 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccccn2)cc1 169991848 VOMMHCMEMPXWJI-SANMLTNESA-N 448.522 6.141 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2c2cccc(C)c2)cc1 170028243 ITEPAYLHEXXPQA-RUZDIDTESA-N 441.527 5.739 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1OC 170125692 IPTCTIVYSNXUSI-FQEVSTJZSA-N 448.346 5.771 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1C1CCCC1 170126133 UYUCKNYUHZLJDM-DEOSSOPVSA-N 427.500 5.369 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(O)cc2)ccc1Cl 170132949 JXAAXBPMJRIEQU-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccccn2)c1 170175590 SMOVCQGAOUUVDO-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)cc(Cl)c2OC)[C@H]1c1ccccn1 170181037 PZRMQTGTOVGFAS-GOSISDBHSA-N 449.334 5.166 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccnc1 170189763 XOHLXKREOZFMRB-DEOSSOPVSA-N 436.467 5.026 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 170226519 SAAQXOHXSQQZJY-HXUWFJFHSA-N 434.835 5.031 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccc(F)cc1)c1cccc2ccccc12 170241439 BARVIQZZKSUMEQ-DEOSSOPVSA-N 438.458 5.152 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2F)ccc1Cl 170251510 IUSOZWZYLGSQCJ-NRFANRHFSA-N 443.902 5.399 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccco2)cc1 170286666 NLCNNTVLRJJHPB-OAQYLSRUSA-N 437.879 5.503 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(C)o1 170308065 OJYVWHNXEPPFDV-FQEVSTJZSA-N 429.900 5.161 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@H]1c1c(C)[nH]c2ccccc12 170312022 SVICNYGSAMBTSQ-XMMPIXPASA-N 444.531 5.180 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2sccc2C)cc1OC 170314219 YMDQKRSHBGPKDW-OAQYLSRUSA-N 449.528 5.165 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc(Cl)c(Cl)c2)=C(O)C(=O)N1c1ccccc1 170314923 WIALAERQBRPNTO-GOSISDBHSA-N 444.339 6.146 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)c1 170344344 GQGCWIWWCRDAKC-IBGZPJMESA-N 443.446 5.858 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(OCC(C)C)cc2)cc1 170350184 LWPRXTJJFIUSEQ-VWLOTQADSA-N 441.527 5.813 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1)c1ccccc1 170421955 OIQULWBJZUGLLC-QFIPXVFZSA-N 435.882 5.300 30 10 IKEE CCOc1ccc(/C=C/C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1 170522154 BKENPJJNEGODLV-OBGWFSINSA-N 434.495 6.536 30 10 IKEE COc1cccc(/C=C\C(=O)c2c(C)nc3ccccc3c2-c2ccc(Cl)cc2)c1OC 222329543 IARRXRQXWZXMSG-SSZFMOIBSA-N 443.930 6.777 30 10 IKEE O=C(O)c1cccc(-c2ccc(C=NNc3c(F)c(F)c(C(F)(F)F)c(F)c3F)o2)c1 254714004 ITFXPTPWBOVMQQ-UHFFFAOYSA-N 446.278 5.666 30 10 IKEE CN1/C(=C2/SC(=Nc3ccc(O)cc3)N(c3ccc(O)cc3)C2=O)Sc2ccccc21 254832901 UPPQVMCUFAJDIF-JSYGVCDLSA-N 447.541 5.277 30 10 IKEE CN=c1scc(-c2ccccc2F)n1N=C(C)c1ccc2ccccc2c1OC(F)F 254873871 SNDGZDLKUIEDSI-UHFFFAOYSA-N 441.478 5.913 30 10 IKEE C=C(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@H](C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 257398171 CPAQRHKQDWNSMI-KWESLZLNSA-N 426.729 8.479 30 10 IKEE endogenous,in-man C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H]1c1ccc(C)c(C)c1 460386322 IDYMEOCISYCXSW-JOCHJYFZSA-N 440.551 5.128 30 10 IKEE C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@@H]1CCc1ccoc1CNCc1ccccc1 504650352 ZISVYIIZULIHFK-OVCWXOKGSA-N 449.635 6.454 30 10 IKEE biogenic Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(N(C)C)cc1 526708176 LYVZPWNZMLOFOD-HSZRJFAPSA-N 446.934 5.497 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1ccc(C(=O)O)cc1 526814586 UCMWHALNWDVMFQ-KSEXSDGBSA-N 449.363 5.410 30 10 IKEE CCCOc1ccc(/C=N\n2c(CCC)nnc2SCc2cccc(F)c2)cc1OC 526825361 TWMKNHGNNGEJAE-MYYYXRDXSA-N 442.560 5.342 30 10 IKEE C[C@@H](c1ccccc1)N(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586143438 FDYRXBAWFQBENZ-FQEVSTJZSA-N 432.589 5.808 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H](CNC(=O)OC(C)(C)C)C(C)C)cc1 698955244 FFUZGJONHSNXNE-WOJBJXKFSA-N 431.577 5.426 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C=O)(Cc1cc(Cl)ccc1Br)C2 712797612 RQBQEQSTAYEGAN-HOTGVXAUSA-N 442.781 5.392 30 10 IKEE Cc1cc(Br)ccc1-c1ccc(/C=C\C(=O)n2cc(C#N)c3ccccc32)o1 1084238001 NTIBJJRWYZMYIO-FLIBITNWSA-N 431.289 6.198 30 10 IKEE CN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=Nc1cccnc1 1772730523 BHZCNHQTSSFPHY-PEODKBGFSA-N 435.936 5.548 30 10 IKEE O=C1/C(=C\c2c(Cl)cccc2Cl)SC(=Nc2cccnc2)N1C1CCCCC1 1772731461 NDJOFDKPBLMUEG-KHCNQNERSA-N 432.376 6.325 30 10 IKEE Cc1csc(N=C2S/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2C2CCCCC2)n1 1772734304 CJYJOFGEVZIWBY-GNYMFXGWSA-N 428.539 5.296 30 10 IKEE O=C1NC(=NN=Cc2ccc(-c3ccccc3Cl)o2)S[C@@H]1Cc1ccc(Cl)cc1 1772742103 ZTRJVFGOHSVUGG-LJQANCHMSA-N 444.343 5.418 30 10 IKEE N#CCc1ccc(C(F)(F)F)nc1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1848370222 VNQLJLYSLDXIBL-UHFFFAOYSA-N 434.459 7.100 30 10 IKEE CC(C)c1c(Cl)c(C(=O)Nc2ccc(C#N)cc2)nn1Cc1ccc(Cl)c(Cl)c1 1859378122 YZJKFOMIZJZFNX-UHFFFAOYSA-N 447.753 6.139 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)CCCc2ccc(Cl)cc2)nc2ccccc12 1859657077 QEMSCKXDYMPYDO-UHFFFAOYSA-N 429.911 5.215 30 10 IKEE CC[C@@H](C)N(C(=O)c1ccc(Cl)cc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1859898968 BLEUYNXVSCGGDI-SNVBAGLBSA-N 441.774 6.962 30 10 IKEE N#Cc1cccc(C(=O)N2CCC(C(=O)Nc3cc(Cl)c(Cl)cc3Cl)CC2)c1 1860603781 NTPLZLSWDNESDF-UHFFFAOYSA-N 436.726 5.009 30 10 IKEE O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N(Cc1ccccc1)Cc1ccccc1 1860636342 XAYFAUTYBKMLGF-WYMLVPIESA-N 434.879 5.060 30 10 IKEE COc1cc(/C=C/C(=O)C(=O)Nc2ccccc2C(C)C)ccc1OCc1ccccc1 1860728244 DUFOJDVJNYSKMF-FYWRMAATSA-N 429.516 5.619 30 10 IKEE CCCCCCCCNC(=O)[C@](C)(CC)NC(=O)/C=C/c1ccc(Cl)cc1Cl 1861559886 SDLGSBNZKZDQQR-VKXNWWILSA-N 427.416 5.768 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(C(C)C)cc1 1862433200 XGVVXBNATRYDBK-NRFANRHFSA-N 427.928 5.078 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1cccc(O)c1)c1cccc(Cl)c1 1862444337 ZQKZJBRYCFCSHX-NRFANRHFSA-N 425.912 5.347 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(Cl)c1 1862446053 KGDLKQMGSJULAX-HXUWFJFHSA-N 448.346 5.387 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1cccc2ccccc12 1862460552 MRAMLQPRYKBCLG-JOCHJYFZSA-N 439.433 5.491 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(OCCC)cc1 1862494820 HGGNTLOWTUZYIT-DEOSSOPVSA-N 435.564 5.861 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(Cl)c(Cl)c1 1862498104 ACLOUDUVMANXTC-NRFANRHFSA-N 446.374 6.379 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2cccc(Br)c2)ccc1F 1862510227 ZAPANTVWWKPSJT-LJQANCHMSA-N 446.316 5.131 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccccc2C)cc1 1862534450 UBIRXIJWHUYUEG-RUZDIDTESA-N 443.518 5.518 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 1862536314 WBBYEVXOEVKXQM-HSZRJFAPSA-N 431.919 5.681 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2C2CC2)cc1 1862540815 WVICWLDBPJGALK-XMMPIXPASA-N 433.548 5.559 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(Cl)cc1 1862591666 LVFSCRAQIAOJBS-DENIHFKCSA-N 441.955 5.983 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862596352 MOBFCQPWWLUSPC-XMMPIXPASA-N 449.547 5.482 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccc2F)cc1 1862662730 LMNUQVZXKLMBSH-DEOSSOPVSA-N 447.481 5.867 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 1862675463 LJIHZLVXODSVDU-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(N(C)C)cc1 1862677560 CJFZJAYRKHBVCU-BXKMTCNYSA-N 444.506 5.231 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862703277 SNQKWWMLRTURCU-VWLOTQADSA-N 447.575 5.949 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862703349 UWGREQXMBQBIOU-MZNJEOGPSA-N 443.499 5.043 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C(C)C)cc1 1862722419 ZVWAYRSSHXRWTD-VWLOTQADSA-N 442.559 5.673 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)c1 1862747354 PUITYQGTPWBSTE-XUEUYAKLSA-N 434.492 5.060 30 10 IKEE N#Cc1ccc(N2C(=O)C(Nc3ccc(Cl)cc3)=C(c3cccc4ccccc34)C2=O)cc1 1862849302 IFNFXLCLSLTJGT-UHFFFAOYSA-N 449.897 5.761 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3cccc(Cl)c3C)C2=O)cc1 1862886367 GKJUJROIKCOFMZ-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(N(C)C)c2)=C(c2ccccc2OC)C1=O 1863430646 UYDIAVLYKJIUSM-UHFFFAOYSA-N 449.595 5.314 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC[C@@H]2CCCO2)=C(c2ccccc2Cl)C1=O 1863777528 GQIASTVQOSZEKO-IBGZPJMESA-N 447.019 5.329 30 10 IKEE CC(C)C[C@@H](CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 1868178039 JREUDQQIVMOCAI-AWEZNQCLSA-N 435.383 7.022 30 10 IKEE CCc1nc(Nc2ccccc2C#N)cc(N2CCc3ccccc3[C@H]2c2cccc(F)c2)n1 1868286257 CUKMPZPIFFUHED-MUUNZHRXSA-N 449.533 5.945 30 10 IKEE Cc1ccccc1-c1nc(Nc2ccccc2C#N)cc(N2C[C@H](C)Cc3ccccc32)n1 1868307931 ZQIJRQLVGJICEI-LJQANCHMSA-N 431.543 6.398 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)C[C@H](c1ccc(C)c(C)c1)C1CC1)c1ccccc1 1868690435 WSPWQMYBAOYUMJ-BDYUSTAISA-N 430.592 5.245 30 10 IKEE Cc1ccccc1CCC(=O)Nc1c(C#N)nnn1Cc1c(Cl)ccc(Cl)c1Cl 1870110188 FUIXIGWSJHLFLC-UHFFFAOYSA-N 448.741 5.038 30 10 IKEE Cc1cc(C)c(Cn2nnc(C#N)c2NC(=O)c2c(Cl)ccc(Cl)c2Cl)c(C)c1 1870111958 JQQYTDODBNTQJF-UHFFFAOYSA-N 448.741 5.336 30 10 IKEE CCCCCCCOc1cn(CCCCC)c(CNc2cccc(Cl)c2C)cc1=O 1870837411 DXAYZTOSDCQXDQ-UHFFFAOYSA-N 433.036 6.962 30 10 IKEE C=CCn1cc(OCC2CCCCC2)c(=O)cc1CNc1ccc(N2CCC(C)CC2)cc1 1870913126 HUCCWGZNSLGYQR-UHFFFAOYSA-N 449.639 5.842 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCC)c(=O)cc1CNc1ccc(C)c(C)c1 1871147451 DAQKTIMDGIXLEQ-UHFFFAOYSA-N 442.600 5.380 30 10 IKEE CCCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(F)cc1 1871252607 KDHFGMISRADKMD-UHFFFAOYSA-N 433.527 5.630 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(C(C)C)cc1)C3=O)CN(C1CCCCCCC1)CO2 1871355816 XPXQUUYDDLFMPG-YSMPRRRNSA-N 445.603 6.999 30 10 IKEE COc1ccc2c(c1)c(/C=C1\Oc3c(cc4c(c3C)OCN(CCC(C)C)C4)C1=O)cn2C 1871359681 VQKXMQVNGXSAOQ-MYKKPKGFSA-N 446.547 5.310 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OC(=O)CCc4ccc(Cl)cc4)c3C)C2=O)cc1 1871368285 DGQFYXZEJINWAC-HAHDFKILSA-N 432.903 6.111 30 10 IKEE Cc1cc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2Cl)C3=O)ccc1[N+](=O)[O-] 1871373749 RQMXWFAERWEUIW-MTJSOVHGSA-N 449.846 5.700 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)ccc2C1=O 1871373979 YIOYSKYEYQRWIK-QRVIBDJDSA-N 445.427 5.137 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(C(F)(F)F)cc4)cc(C)c3C2=O)cc1 1871375806 DVSYGKFGVKYRIV-MTJSOVHGSA-N 438.401 6.158 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCC(Cc4ccccc4)CC3)C2=O)cc1 1871395381 PUEFMVXVIYTBIU-IMRQLAEWSA-N 439.555 5.772 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2)C3=O)cc1Cl 1871402344 TVISVNOYRJDCBX-QWUOEIFBSA-N 447.918 5.979 30 10 IKEE CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccco1)C2=O 1871402701 MSYVRRYHXZLKMH-LRSOKBAUSA-N 433.460 5.009 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3cc(OCCCOc4cccc(C)c4)ccc3C2=O)c1 1871406368 STYNHMXSJZVOTF-QQXSKIMKSA-N 446.499 5.476 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871406972 KTNFMTQIPCEQAN-ICODJCHTSA-N 447.918 5.979 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc(OCCOc3ccc(C(C)(C)C)cc3)c2C)C1=O 1871415043 SSKLZWJKXBOHHK-KQWNVCNZSA-N 448.584 6.736 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1cccc(C)c1)C2=O 1871424732 VAZNVQFWEJJEOW-OYKKKHCWSA-N 441.527 5.808 30 10 IKEE CCc1ccc(NC(=O)[C@@H](CC)Oc2ccc3c(c2C)O/C(=C\c2cccs2)C3=O)cc1 1871425020 DNKVGCLSMOICFP-FYYJVHHASA-N 447.556 6.031 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3cccc(Cl)c3C)ccc2C1=O 1871427259 VQCJCAFKFOEBOA-FMCGGJTJSA-N 449.890 5.291 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(O[C@H](C)C(=O)Nc3c(C)cccc3C)c2C)C1=O 1871431381 RNNTZCLCDUNAKF-ZOLHPDHPSA-N 441.527 5.942 30 10 IKEE Cc1ccc(CCOc2cc(C)c3c(c2)O/C(=C\c2c(Cl)cccc2Cl)C3=O)cc1 1871437710 YXRBRKVNQRDIAU-UCQKPKSFSA-N 439.338 6.848 30 10 IKEE Cc1cc(O[C@H](C)C(=O)Nc2nc3ccccc3s2)cc2c1C(=O)/C(=C/c1ccco1)O2 1871439977 TXKRKNYQHKVVQG-AXLWCPOOSA-N 446.484 5.220 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(Cl)cc4C)ccc3C2=O)c1 1871454350 LIRJPTCAZUKBEA-FMCGGJTJSA-N 449.890 5.291 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(F)cc2)[nH]c(N2CCc3ccccc3C2)n1 1871516123 PXIKLJIDGJNJTP-UHFFFAOYSA-N 448.590 5.511 30 10 IKEE C=CCN(CC=C)c1nc(=NCc2ccccc2)nc(Nc2ccc(OCCCC)cc2)[nH]1 1871613219 VGGNGAZINUUXMZ-UHFFFAOYSA-N 444.583 5.007 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(CCCC)cc1)C(C)C)S(=O)(=O)c1cccs1 1871818063 BVYXDTXHTJMEFF-QFIPXVFZSA-N 448.654 5.321 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1cccc(F)c1)S(=O)(=O)c1cc(C)ccc1C 1871973313 RMPRXEXZOBJEMQ-QFIPXVFZSA-N 446.588 5.207 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(Nc2ccccc2)cc1)[C@H](C)CC)S(=O)(=O)CCC 1872157508 KVSAPVUTZCUVCG-AUSIDOKSSA-N 443.613 5.011 30 10 IKEE CCCCC1CCC(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1 1872762598 RLKRGBLDPDMIDQ-JMLCCBQJSA-N 435.420 7.290 30 10 IKEE CC(C)COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3cccc4ccccc34)cs2)cc1 1872775257 MORVWGHBGXROOR-HSZRJFAPSA-N 426.541 6.488 30 10 IKEE CCCCCCCOc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccccc3)n2)cc1 1872777892 YWGINNYDLQKYTP-QHCPKHFHSA-N 448.588 6.415 30 10 IKEE Cc1nc(SCc2ccc(C(=O)NCc3ccccc3Cl)cc2)c(C#N)c(C)c1C 1872895277 LVJOYCAQEAIJOT-UHFFFAOYSA-N 435.980 5.754 30 10 IKEE CCCCCCCCCCNC1=C(c2cc(F)cc(F)c2)C(=O)N(C2CCCC2)C1=O 1873111077 PXOQMTLHRDOMJR-UHFFFAOYSA-N 432.555 5.718 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(F)cc2Cl)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873276812 UHICZBODDQWBAU-UHFFFAOYSA-N 432.882 5.524 30 10 IKEE CCCCCCCCCCNc1ncnc2c1ccc(=O)n2-c1ccc(Cl)c(C)c1 1873540459 HHOBCOPVCYRGFH-UHFFFAOYSA-N 426.992 6.295 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(C(C)(C)C)cc1)n2C 1873619615 JCTKVMGAGNJMGM-UHFFFAOYSA-N 435.616 6.291 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)c(Cl)c2)cc2c(NCCCCCC)ncnc21 1873638798 LXGMRRYZRJNHJV-UHFFFAOYSA-N 446.382 6.169 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(N(C)C)c2)cc2c(NCCC3=CCCCC3)ncnc21 1873638918 BZEIVUGIDJBLSI-UHFFFAOYSA-N 444.583 5.238 30 10 IKEE N#Cc1ccccc1NC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCCC2 1873868954 YMTNDROHOPXGQR-RUZDIDTESA-N 441.575 5.772 30 10 IKEE CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccc(C(C)C)cc1 1874215217 AYYIIPCZRZIENT-WYMPLXKRSA-N 428.989 5.855 30 10 IKEE CCCc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccncc2)cc1 1874257859 BQEOVDMPKWDTQZ-WPWMEQJKSA-N 443.576 5.379 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2/N=C/c2cccc(O)c2)cc1C 1874357387 DSWSQAGUYGHKDE-JFLMPSFJSA-N 446.551 5.505 30 10 IKEE C=C(C)CSc1nnc(CCc2cccs2)n1/N=C/c1cccc(OCCC)c1 1874371512 CTGXDUKXZQOGKZ-HZHRSRAPSA-N 426.611 5.464 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3ccccc3F)nnc2[C@H](C)c2ccccc2)cc1 1874395416 LYQYZNZDSBHDQE-BWJYWGHISA-N 430.552 6.052 30 10 IKEE C=C(C)CSc1nnc(C(F)(F)F)n1/N=C/c1ccc(OCCCC)c(OC)c1 1874460207 NBFPTKXWTCEHEL-FOKLQQMPSA-N 428.480 5.035 30 10 IKEE COCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccccc1F 1874473259 UZHBIVSOVLTIOD-FOKLQQMPSA-N 439.343 5.087 30 10 IKEE CC(C)Cc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(Br)cc1 1874489347 MZSCDMNEGKURQZ-FSJBWODESA-N 447.377 5.553 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874504917 IJSGFNYONQLRHJ-PCLIKHOPSA-N 435.597 5.141 30 10 IKEE CCCc1nnc(SCCc2ccccc2)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874508231 SKQVMAHZPHPLSD-KOEQRZSOSA-N 438.597 5.243 30 10 IKEE CCCOc1ccc(/C=N/n2c(CCC)nnc2SCc2cccc(Cl)c2)cc1 1874510201 GSJJLJHDLQRONF-BUVRLJJBSA-N 428.989 5.847 30 10 IKEE COc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C(C)C)cc1OC 1874514493 AQKFVJMMXKTWLM-BHGWPJFGSA-N 448.951 5.386 30 10 IKEE C=CCSc1nnc(C2CC2)n1/N=C/c1ccc(OCCCc2ccccc2)c(OC)c1 1874521299 LMVLEUPSNIIJNZ-NLRVBDNBSA-N 448.592 5.336 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)c1 1874580689 BLYDKXFZBCHQSF-RMKNXTFCSA-N 443.326 6.486 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)c1 1874581156 ZLONXEKHZWWFMF-BJMVGYQFSA-N 443.326 6.486 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3c(F)cccc3Cl)c2)cc1 1874595225 AFMHVZBTRUOXGX-NTUHNPAUSA-N 440.898 6.362 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 1874598057 RHXFUYGDSKBNFZ-AWNIVKPZSA-N 425.355 7.592 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2)c1C 1874602037 QQOJZSZORNRYOW-SDNWHVSQSA-N 430.460 5.125 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OCC(=O)NCc1ccccc1 1874616143 LEDCKTIEOSCJDG-JLHYYAGUSA-N 449.934 5.248 30 10 IKEE Cc1ccc(COc2ccc(/C=C/C(=O)c3ccc(F)c(F)c3)cc2Br)cc1 1874626244 SSBSSCNGKUTPLV-UXBLZVDNSA-N 443.287 6.511 30 10 IKEE CCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cc(C)cc(C)c1 1874682221 MIKCCYRKQCZLMD-SANMLTNESA-N 447.623 6.201 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OC(=O)c1ccc(F)c(F)c1F 1874696701 CMYWRECTOQFPPY-UXBLZVDNSA-N 446.808 5.881 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3cccc(/C=C/C(=O)c4ccc(F)c(F)c4)c3)c(C)c2c1 1874710651 GQOPNORMUUFVBD-YRNVUSSQSA-N 431.438 6.178 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1cccnc1 1875082684 MTYCUBREHKGUBB-MHWRWJLKSA-N 449.506 6.263 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)Cc1ccc(OC)cc1 1875119678 HAPBMCHGZQRFGH-RVDMUPIBSA-N 446.499 5.147 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc([N+](=O)[O-])c1OC(=O)C1CCCC1 1875125051 ODPDPYQDKLFVBM-JXMROGBWSA-N 445.418 5.263 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(Cl)cc3)cc2)cc1 1875129873 YAAKXCHAKOLALD-FZSIALSZSA-N 436.891 5.619 30 10 IKEE O=C(Cc1ccc(Cl)c(Cl)c1)Oc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1 1875162016 SMAQKKFVQUMIFT-ONNFQVAWSA-N 447.264 6.316 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)ccc1OC(=O)CC1CCCCC1 1875194221 NGQBKBOXGFETML-DHZHZOJOSA-N 442.939 6.129 30 10 IKEE C[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)CN1C(=O)OC(C)(C)C 1900092023 SEMBLLIPBIDBLV-IVZQSRNASA-N 435.952 5.373 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](O)c1ccc(C)c(Br)c1C 1922070249 XTMCBAXQXQKUQB-DHIUTWEWSA-N 432.402 5.241 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1926494077 PSBBLELRVYLWKE-OYHNWAKOSA-N 435.952 5.231 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(C)cc(Br)c1F 1926705946 BBIAURQPZOHNPE-AEFFLSMTSA-N 429.374 5.407 30 10 IKEE C#CCCCCC[C@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 1947484324 JMSKEYWWBMQJDJ-RPWUZVMVSA-N 430.633 5.439 30 10 IKEE CC(C)(C)OC(=O)N(CCNc1ccc(C#N)c(Br)c1)OCc1ccccc1 1955809120 QNTFAWTUDNSZBT-UHFFFAOYSA-N 446.345 5.102 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CC[C@H]2NC(=O)OCc2ccccc2)c1 1959029443 FGQLMQADXUFLCK-BWKNWUBXSA-N 435.524 5.088 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 1996777593 QCYDFIYFAHCUEC-XQUALCHDSA-N 428.617 5.021 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 2005383663 XVYYMMLBBJVQHW-HSZRJFAPSA-N 433.524 5.251 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC1CCC(NC(=O)OC(C)(C)C)CC1)NCCC 2025180931 FTQBAQMRZHOYHZ-HQNXYIODSA-N 430.633 5.601 30 10 IKEE C=CCCCCCC[C@H](O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2026013580 ZTXHDOWBPGNDNN-QHCPKHFHSA-N 430.633 5.433 30 10 IKEE CC1(C)OB(c2cnc(Oc3cccc(OCc4ccccc4)c3)c(Cl)c2)OC1(C)C 2052498895 KWJRRYBTLOKPSV-UHFFFAOYSA-N 437.732 5.406 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C(C)(C)C1 2065978932 KUNAUCIBVZUMNT-XMMPIXPASA-N 447.551 5.497 30 10 IKEE C#CC[C@H](C[C@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC)C1CC1 2076099356 PAYAWQVYQCUYPU-SDHSZQHLSA-N 442.644 5.294 30 10 IKEE Cc1cc(C)c([C@@H](C(C)C)n2nc(C(F)(F)F)c(C=NO)c2Br)c(C)c1 2079857462 AQGRYFCHCWBQRC-OAHLLOKOSA-N 432.284 5.643 30 10 IKEE Cc1cc(O)c([C@H](n2nc(C(F)(F)F)c(C=NO)c2Br)C2(C)CC2)cc1C 2080031208 YTFGJCSRLPRFQZ-HNNXBMFYSA-N 446.267 5.184 30 10 IKEE C[C@@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)(F)F)c(C=O)c1Br 2080053715 KTPDPWFUWCKNKG-LURJTMIESA-N 433.121 5.244 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@@H](C#N)c1cc(Cl)cc(Br)c1 2088228727 ZNXJTDMQILRHOW-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)C1(C(F)(F)F)CCC1 2122759442 RWNJRTMJOOQAAW-CQSZACIVSA-N 433.268 5.815 30 10 IKEE CCCCC#CC[C@H](NCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2138993609 KDUKYUQMVWSRPV-NDEPHWFRSA-N 441.615 7.079 30 10 IKEE CC#CCCC[C@@H](NCCC)c1ccc(Br)cc1I 2142288649 LPVHXEZDTFVBAJ-MRXNPFEDSA-N 434.159 5.288 30 10 IKEE CCCCCCC[C@@H](NCC)[C@H](O)c1cc(Br)c(Br)s1 2148579768 TVXCUTPALWXGML-OCCSQVGLSA-N 427.246 5.645 30 10 IKEE CC1(C)C[C@H](CNc2cc(Br)cc(F)c2C#N)CN(C(=O)OC(C)(C)C)C1 2172556758 JPUPDSDYFYFLML-CYBMUJFWSA-N 440.357 5.155 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)cc(C)cc1Br 2173461456 MPYXUXKNXCYOIZ-HKUYNNGSSA-N 441.385 5.244 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](Cc2cccc(C)c2Br)NCC)C1 2183011385 NKQCZMCPSDEISD-GOSISDBHSA-N 437.422 5.139 30 10 IKEE Cc1ccc(C#C[C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1 2231169920 AQIDQNHQRMKRGO-NDEPHWFRSA-N 434.535 6.238 30 10 IKEE C#C[C@@H](NC(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCC1 2243905445 ORKJKTRMJJLRHA-AREMUKBSSA-N 444.575 5.004 30 10 IKEE CCCN[C@H](C#CC1CCCC1)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2251415722 YYMQPJCDYFYMTG-DNQXCXABSA-N 428.617 5.048 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)C1(NC(=O)OC(C)(C)C)CCCCC1 2296217280 SMRKHSYQJQBAMZ-LJQANCHMSA-N 435.406 5.006 30 10 IKEE CC[C@H]1CC[C@@](NC(=O)OC(C)(C)C)([C@H](O)C#Cc2ccc(Br)cc2)CC1 2296271239 DSZPHWWXPQPYGR-ZWDAVXSWSA-N 436.390 5.025 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](C[C@H](O)C#Cc1ccc(Br)cc1)C1CCCCC1 2296292446 YLWIYPGJYRBPTK-UXHICEINSA-N 436.390 5.025 30 10 IKEE O=C1ON=C(c2ccc(Cl)cc2)C1=Cc1ccc(OC(=O)c2ccc(Cl)cc2)cc1 2296739196 AZNOABHQADOCLH-UHFFFAOYSA-N 438.266 5.557 30 10 IKEE CC(=O)c1ccc(N2C(=O)C(=O)C(=C(O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 2296767295 MCFRKMOPESMPQG-QFIPXVFZSA-N 431.875 5.169 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2302804741 XFADTVMRGLOBQL-AQNXPRMDSA-N 429.561 5.404 30 10 IKEE COc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)N1CCOCC1 2314429858 QMCKKXJFSLGCEN-UHFFFAOYSA-N 443.499 5.089 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2C1=O 2314437126 DBKAOQPZCPGGSC-UHFFFAOYSA-N 435.273 5.593 30 10 IKEE CCOc1cc(C=NNc2oc([C@@H]3C[C@@H]3c3ccccc3)nc2C#N)ccc1OC(C)C 2320837463 YLVTUHITVZEMHW-WOJBJXKFSA-N 430.508 5.449 30 10 IKEE CC(C)CCN1COc2ccc3c(c2C1)OC(=Cc1cc(Cl)cc2c1OCOC2)C3=O 2322234913 AWLUKLFCEMGYDW-UHFFFAOYSA-N 441.911 5.021 30 10 IKEE C=C(C)COc1c(C=CC(=O)c2ccc3ccccc3c2)cc(Br)cc1OC 2322328440 LUVGSQIUQZTKFM-UHFFFAOYSA-N 437.333 6.462 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2cccc3ccccc23)cc1F 2322708623 SSKSVSIHTHRSRL-UHFFFAOYSA-N 446.905 7.116 30 10 IKEE CCCOc1ccc(Br)cc1C=CC(=O)c1ccc(Oc2ccccc2)cc1 2322807020 IFZSWLMAUPKGEQ-UHFFFAOYSA-N 437.333 6.926 30 10 IKEE CCCOC(=O)COc1c(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cccc1OC 2322807741 LZYJVAHXWJQVIV-UHFFFAOYSA-N 446.499 5.716 30 10 IKEE Cc1c(OC(=O)[C@@H]2CCCO2)ccc2c1OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2322926740 VTXJNDDGSXUKJK-QHCPKHFHSA-N 426.468 5.363 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2)c(Br)c1OCCc1ccccc1 2323127178 OVZYGIUYXBNGJL-UHFFFAOYSA-N 437.333 5.975 30 10 IKEE Cc1c(OC(=O)c2ccc(C=CC(=O)O)cc2)ccc2c1OC(=Cc1cccc(F)c1)C2=O 2323613213 OCZBVTROFWDIGO-UHFFFAOYSA-N 444.414 5.067 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)ccc1OCC(=O)Nc1ccc(F)cc1 2323627196 SUGYHXUUFAOGFJ-UHFFFAOYSA-N 439.870 5.401 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc(OC(=O)c3cccc(OC(C)C)c3)c2C)C1=O 2323809038 MWUVKASDPWKXRL-UHFFFAOYSA-N 444.483 5.626 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(OC)c2)C3=O)c1 2323832230 ZHGKVVJFRJZJEK-UHFFFAOYSA-N 430.456 5.319 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCc3cccc4ccccc34)c(Cl)c2)c(C)c1 2323854545 RGMFCNWVJPBTCI-UHFFFAOYSA-N 426.943 7.585 30 10 IKEE CCOc1cc(C=NNc2nc(-c3ccccc3)cs2)cc(Br)c1OC 2323864724 MMBYBEZLZFJFMF-UHFFFAOYSA-N 432.343 5.426 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2cc(C)ccc2OC)cc1Cl 2323992471 WDDXNKFETMSRDP-UHFFFAOYSA-N 443.971 5.581 30 10 IKEE C=C(C)COc1c(OCC)cc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1[N+](=O)[O-] 2324305578 KZSCVXBSCOZRNG-UHFFFAOYSA-N 425.481 5.470 30 10 IKEE CCCOc1c(OCC)cc(C=CC(=O)c2cc(OC)c(Cl)cc2OC)cc1[N+](=O)[O-] 2324412627 COYLVFOVZPIBBL-UHFFFAOYSA-N 449.887 5.349 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)c1OCCc1ccccc1 2324451526 VKDZYGDVYOBEGI-UHFFFAOYSA-N 434.963 6.873 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Br)c(OC)c(OCC)c2)c(OCC)c1 2324494842 REEFCHSKMKAQJN-UHFFFAOYSA-N 449.341 5.550 30 10 IKEE Cc1ccc(OCCCCOc2ccc3c(c2C)OC(=Cc2ccccc2C)C3=O)cc1 2324589010 RAQYZIMRRUFHBX-UHFFFAOYSA-N 428.528 6.466 30 10 IKEE Cc1cc(OCc2ccc(C#N)cc2)cc2c1C(=O)C(=Cc1ccccc1Br)O2 2324757015 NGZFWBZMNCQYHM-UHFFFAOYSA-N 446.300 5.824 30 10 IKEE COc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1 2324781153 FYJZBIGXVDTWHB-IBGZPJMESA-N 438.936 5.679 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)C=Cc2ccccc2Cl)n1 2324794750 MVHFZMUSSSJQAQ-HXUWFJFHSA-N 434.992 6.959 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(C(C)C)cc3)n2)cc1Cl 2324807259 YVPAHSVQJIUHHR-LJQANCHMSA-N 436.964 6.485 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1ccc2c(c1)OC(=Cc1sccc1C)C2=O 2325005101 BGNVXBQYEYTWBJ-UHFFFAOYSA-N 433.529 5.561 30 10 IKEE CCCCCCCCCOc1ccc2c(c1C)OC(=Cc1ccc(C(=O)OC)cc1)C2=O 2325195949 BXEADGLTJAIMCT-UHFFFAOYSA-N 436.548 6.527 30 10 IKEE COC(=O)c1ccc(COc2ccc3c(c2C)OC(=Cc2ccc(C(C)C)cc2)C3=O)o1 2325381926 PGSPMLJAGXIURG-UHFFFAOYSA-N 432.472 5.693 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccc(O)cc2)cc1 2325435546 QPXGSONLHMUCCF-UHFFFAOYSA-N 428.561 5.252 30 10 IKEE Oc1ccccc1C=Nn1c(CCc2ccccc2)nnc1SCc1ccccc1F 2325448709 GVJWCFZNGVVPSD-UHFFFAOYSA-N 432.524 5.083 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccc2c(c1C)OC(=CC=Cc1ccccc1)C2=O 2325501086 PUFMDSZDRTZTQU-UHFFFAOYSA-N 439.511 5.802 30 10 IKEE CC(C)c1ccc(C=C2Oc3cc(OCC(=O)Nc4c(F)cccc4F)ccc3C2=O)cc1 2325507333 ZDXBYTAVVXDRAP-UHFFFAOYSA-N 449.453 5.722 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4c(F)cccc4F)c3C)C2=O)cc1 2325512780 SCQUKPXFHWNOGD-UHFFFAOYSA-N 449.453 5.469 30 10 IKEE CCCOc1c(C=Nn2c(CCC)nnc2SCc2ccccc2F)cccc1OC 2325553950 VVYKUCYAUQJVTG-UHFFFAOYSA-N 442.560 5.342 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)C34CC5CC(CC(C5)C3)C4)c2)cc1C 2325715040 SEKLGJIDKXHOMF-UHFFFAOYSA-N 430.544 6.022 30 10 IKEE C[C@H](C(=O)Oc1cccc(C=CC(=O)c2cccc(Br)c2)c1)c1ccccc1 2325720983 PVXGJIPWHUUPOY-KRWDZBQOSA-N 435.317 6.054 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 2325750765 SMCAJHKCBZGWPD-UHFFFAOYSA-N 426.556 7.223 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3cccc(C=CC(=O)c4ccc(F)c(F)c4)c3)c(C)c2c1 2325753624 GQOPNORMUUFVBD-UHFFFAOYSA-N 431.438 6.178 30 10 IKEE C=C(C)CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1cccc(F)c1 2326127319 HEZAVXRPIOWCME-UHFFFAOYSA-N 444.963 5.817 30 10 IKEE CC(C)(C)c1ccc(C=Nn2cnnc2SCc2ccc(Br)cc2)cc1 2326606533 PKLAMWNOBJWTMS-UHFFFAOYSA-N 429.387 5.513 30 10 IKEE Cc1cccc(OCc2nnc(SCc3ccccc3F)n2N=Cc2ccncc2)c1C 2328848172 HFTSTFYOAUTTJI-UHFFFAOYSA-N 447.539 5.183 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2cccc(C)c2)cc1 2329246904 XXUSYBWGXKIBRQ-UHFFFAOYSA-N 442.588 5.669 30 10 IKEE Cc1ccsc1C=Nn1c(CCc2cccs2)nnc1SCc1ccc(F)cc1 2329636438 FFZLPWCSDJQRBG-UHFFFAOYSA-N 442.610 5.808 30 10 IKEE Cc1ccc(C=Nn2c(CCc3cccs3)nnc2SCc2cc(C)ccc2C)cc1 2329665486 LZPXQROSJOPMTF-UHFFFAOYSA-N 446.645 6.225 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccc(F)cc3)n2N=Cc2ccccc2F)c1 2329842664 ABLKOMWJAMIQOK-UHFFFAOYSA-N 448.542 5.938 30 10 IKEE Fc1ccc(C=Nn2c(COc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 2329883795 XVAOJDAYYUFQQG-UHFFFAOYSA-N 436.487 5.310 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(O)cc1 2330063884 ZUTYJRTYIRVZFT-QGZVFWFLSA-N 432.524 5.449 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(Cc2ccccc2)n1N=Cc1ccc[nH]1 2330499703 HOTQLJZYKXMDQB-UHFFFAOYSA-N 442.375 5.678 30 10 IKEE C=C(C)CSc1nnc(-c2cccs2)n1N=Cc1ccc(OCCCC)c(OC)c1 2330579253 LGSBXNJZUUUTLG-UHFFFAOYSA-N 442.610 5.745 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCCC3)n2N=Cc2ccccc2Cl)c1 2331076150 DXYRMHLMEYCZQF-UHFFFAOYSA-N 425.001 6.380 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3F)cc2OC)cc1 2331106102 CBKIKGJRMDLVGD-UHFFFAOYSA-N 438.426 5.026 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3c(C)ccc(C)c3C)c(Cl)c2)cc1 2331266112 OGHBEAGOTFJNMK-UHFFFAOYSA-N 448.946 6.454 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1OC(=O)c1cccc(C)c1 2331279604 UPZWMWDLJOKMEO-UHFFFAOYSA-N 445.471 5.726 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)CCCOc3ccccc3Cl)cc2)c1 2331315914 HHSUHEYYVLGGGE-UHFFFAOYSA-N 448.946 6.618 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)CSc3ccccc3)c(Cl)c2)c1 2331320178 TYKSMPDDZRLTBP-UHFFFAOYSA-N 436.960 6.551 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1 2331351545 DIYIFNPYXXHCRJ-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)c1ccc(C)cc1 2331668858 XZMIVLZVJIREPO-UHFFFAOYSA-N 444.527 6.134 30 10 IKEE COc1cc(C=Nn2c(SCc3ccccc3C)nnc2C(C)C)ccc1OC(C)C 2331675305 IDNLOSJLDXLCKL-UHFFFAOYSA-N 438.597 5.680 30 10 IKEE CC#CCN(C[C@H](NCCC)c1cc(F)c(Br)cc1F)C(=O)OC(C)(C)C 2363131259 SPBOKABOHFWVPQ-SFHVURJKSA-N 445.348 5.028 30 10 IKEE CC1(C)OB(/C=C/c2ccc(SCc3cccc(Br)c3)nc2)OC1(C)C 2366990574 DMGRBVIPMZLZFO-ZHACJKMWSA-N 432.192 5.781 30 10 IKEE Cc1cc(COc2ccc(Cl)cc2Br)cc(B2OC(C)(C)C(C)(C)O2)c1 2369698137 ZDXDOKQPVYJNBI-UHFFFAOYSA-N 437.570 5.289 30 10 IKEE O=C1c2ccc3c4c(ccc(c24)C(=O)N1/N=C/c1c2ccccc2cc2ccccc12)CC3 3045261 FXDWSDXQFRBJQV-OKCVXOCRSA-N 426.475 5.875 30 10 IKEE C=C(C)COc1ccc(NC(=S)NC(=O)c2ccc(OCCc3ccccc3)cc2)cc1 9696941 FZQKLPUHFNGTQS-UHFFFAOYSA-N 446.572 5.390 30 10 IKEE COc1ccccc1N/C(=N\C(=O)c1cccc(Cl)c1)NCCc1c[nH]c2ccccc12 32943055 KNXBEDDWJTXHAO-UHFFFAOYSA-N 446.938 5.271 30 10 IKEE COc1cccc(/C=C2/Oc3c(ccc(O)c3CN(CC(C)C)CC(C)C)C2=O)c1OC 37858014 UQNYGRMLIMRYTC-FSJBWODESA-N 439.552 5.140 30 10 IKEE COc1ccc(CCNc2oc(-c3ccc(OCc4ccccc4)cc3)nc2C#N)cc1 39841510 ULPDENFFQNDYID-UHFFFAOYSA-N 425.488 5.455 30 10 IKEE C=CCc1ccc(OCCn2c(COc3ccc(OC)cc3)nc3ccccc32)c(OC)c1 40235381 RUGJKSRORIUEHU-UHFFFAOYSA-N 444.531 5.440 30 10 IKEE COc1ccc(Oc2ccc(C(F)(F)F)cc2/N=C/c2cccc([N+](=O)[O-])c2O)cc1 59516442 DLKAOBGYMQMYEP-BRJLIKDPSA-N 432.354 5.871 30 10 IKEE Cc1cc(Cl)ccc1N/C(=N\C(=O)c1ccccc1)NCCc1c[nH]c2ccccc12 66437702 GLIVYRCSFGALSE-UHFFFAOYSA-N 430.939 5.570 30 10 IKEE CC/C(C)=N/Nc1nc2cc(C)c(NC(=O)c3ccc(Cl)c(Cl)c3)c(C)c2s1 78397737 GSHWLMZZYVARPC-OPEKNORGSA-N 435.380 6.670 30 10 IKEE CCCCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3 101139947 DFFVCYDNPAGMGH-UHFFFAOYSA-N 440.678 7.087 30 10 IKEE C/C(=N/n1c(-c2cccs2)cs/c1=N\c1ccc(Cl)cc1Cl)c1ccncc1 102909228 WYSUYBIPESGMKU-JEEJYUJHSA-N 445.400 6.485 30 10 IKEE C=CCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1ccc(C)cc1)CC2 105023115 CUBSDPUTKIWKAF-DFHRPNOPSA-N 440.587 5.212 30 10 IKEE Cc1nc(COc2cccc(/C=C/C(=O)Nc3cccc(OCCCC#N)c3)c2)cs1 108295326 PKHOWFGEVUCIQE-ZHACJKMWSA-N 433.533 5.365 30 10 IKEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1cc(Cl)c(Br)s1 148463667 OEBQZGXURGWFGT-UHFFFAOYSA-N 447.228 5.256 30 10 IKEE CCOc1cc(/C=N/Nc2ccc(OC)cc2)ccc1OCc1c(Cl)cccc1Cl 169885361 DQUIPVRTZODNGL-VULFUBBASA-N 445.346 6.426 30 10 IKEE CCOc1cc(/C=N\Nc2nc3ccccc3s2)ccc1OCc1ccccc1Cl 169890305 REXOCEMJDCCSSH-QFEZKATASA-N 437.952 6.373 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(OCc3ccc(C)cc3)cc2)NC(=S)N1C 169935299 GIDRRVAIEQVNGK-VWLOTQADSA-N 442.584 5.592 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(O)c(OCC)c1 169974420 RXRIYOXUWIVBQY-HSZRJFAPSA-N 449.503 5.306 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cccc(OC(C)C)c1 169981506 PTUVNKNEKYIBOH-DEOSSOPVSA-N 449.547 5.312 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3O)[C@@H]2c2cccs2)c1 169987344 LZOJTZIZOWBVNU-HXUWFJFHSA-N 439.920 5.507 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@H]1c1ccccn1)c1cccc(Cl)c1 169995933 JMUAAUQJBQRSTP-QHCPKHFHSA-N 440.886 5.671 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2cccnc2)cc1 170005572 GTLLUIVIRJXDAR-QFIPXVFZSA-N 448.906 5.225 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 170029543 KQZVUCDSJRSEHO-XMMPIXPASA-N 443.499 5.185 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@H]1c1ccc(F)cc1 170062500 HTNIZZRZSYVPIA-DEOSSOPVSA-N 445.490 5.542 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cn(C)c3ccccc23)c1 170083931 XYDJZRJGYVZZPD-RUZDIDTESA-N 436.511 5.578 30 10 IKEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccco2)cc1 170097078 GZSQBBNNKCKBFJ-HSZRJFAPSA-N 443.455 5.203 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 170149828 VCYVLRBOIQZRSE-NRFANRHFSA-N 436.508 5.271 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)(C)C)c2)[C@H]1c1cccnc1 170195186 UWDDUNIQFFXCQK-JOCHJYFZSA-N 436.552 5.156 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCC)cc1 170216171 GCMBJEQNYNXTKB-HSZRJFAPSA-N 437.536 5.171 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2)cc1C(C)C 170226188 PMCCIDXRTJQQCC-XMMPIXPASA-N 427.500 5.602 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 170244170 SQPQVWWXZDWNGS-IBGZPJMESA-N 434.294 5.653 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@@H]1c1ccc(CC)cc1 170267591 SAIUPNOCCNRRTG-DEOSSOPVSA-N 449.591 5.934 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(C)o2)c1 170300161 OGPOOKKRXOENKB-MZNJEOGPSA-N 443.499 5.311 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(C)o2)cc1 170303946 MSDSPDHHTFYWFL-HJPURHCSSA-N 429.472 5.003 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@H]1c1c(C)[nH]c2ccccc12 170312077 HLWOTGMPQJENTJ-JOCHJYFZSA-N 436.483 5.002 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1Cc1cccs1 170312562 WPYPHRAUZZGIGT-LJQANCHMSA-N 435.526 5.643 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2sccc2C)c1 170314180 HJLXUYRCOSTPRU-NRFANRHFSA-N 449.528 5.165 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@H]1c1sccc1C 170318895 OUZDEYCJRUYJQB-FQEVSTJZSA-N 427.566 5.567 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CCC)c1 170323620 QYDWTWMIFNBDLD-FQEVSTJZSA-N 448.346 5.771 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1cccc2ccccc12)c1cccs1 170370430 FAFXSMWJYXEYRU-QFIPXVFZSA-N 445.927 6.338 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1cccc(Oc2ccccc2)c1 170456864 TVSGBCQROXLKCO-RUZDIDTESA-N 442.515 5.385 30 10 IKEE CCCOC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2cccc(C)c2)c1 170460344 GWFQHFYWCFEPLP-NRFANRHFSA-N 435.520 5.077 30 10 IKEE COC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 170468438 KEWCUTXPTDKQTH-QHCPKHFHSA-N 449.547 5.286 30 10 IKEE Cc1cc(C)c2nc(-n3ncc(C#N)c3Nc3ccc(-c4ccccc4)nn3)cc(C)c2c1 170547173 SHDYAPUHGKFHDX-UHFFFAOYSA-N 431.503 5.418 30 10 IKEE Cc1cc2c(N)c(C(=O)Nc3ccc(C(=O)/C=C\c4cccs4)cc3)sc2nc1C 211404626 NEUCLWACJNRNQV-KTKRTIGZSA-N 433.558 5.705 30 10 IKEE Cc1cccc(Cl)c1OCc1ccc(C=Nn2c(S)nnc2-c2cccs2)o1 254451945 NNOSCIQTJDAIIT-UHFFFAOYSA-N 430.942 5.311 30 10 IKEE COc1ccc(N=C2S/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)N2C)cc1 254527282 ICOCMJQUQQWCPW-FTEWTSQZSA-N 435.461 5.097 30 10 IKEE Cc1ccc(C=NNc2nc(-c3ccccc3)c(NC(=O)c3ccc(F)cc3)s2)cc1 254712797 FLBQMXJNQVLAEA-UHFFFAOYSA-N 430.508 5.956 30 10 IKEE C=CCOc1ccc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)cc1 254869418 IPFXDCQCLKYLTJ-MMKHHPBPSA-N 426.541 6.056 30 10 IKEE COc1ccc(N=C2S/C(=C3/Sc4ccccc4N3C)C(=O)N2c2ccccc2)cc1 263631723 OAJMJRWJQMVKLI-CSFSZXLXSA-N 445.569 5.874 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Br)ccc1C)NCC 407593996 NFZGOQIZUXHCPJ-RBUKOAKNSA-N 425.411 5.138 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccc(OCC)c2)c1 526517563 UQXYJZFUNXEBFL-VWLOTQADSA-N 440.499 5.413 30 10 IKEE Cc1ccc([C@H]2C(c3cccc(OCC(C)C)c3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526605512 RAMDEUHROXLLDS-SANMLTNESA-N 438.527 5.959 30 10 IKEE CCOc1cc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2C#N)ccc1O 526606208 IWROALGADGAMHU-QHCPKHFHSA-N 446.890 5.373 30 10 IKEE COc1cc(/C=N\n2cnnc2SCc2c(F)cccc2Cl)ccc1OC(C)C 526817274 QOZAQEMLFJYPQK-VROXFSQNSA-N 434.924 5.041 30 10 IKEE COc1cc(/C=N\n2c(C)nnc2SCc2cc(C)ccc2C)cc(Cl)c1OC 526818733 XUWPQJZAIWLBNI-KSEXSDGBSA-N 430.961 5.048 30 10 IKEE CC1CCN(c2ccc(N(Cc3ccc(C#N)cc3)S(=O)(=O)c3ccccc3)cc2)CC1 586194880 VONUIVRAEJNGPC-UHFFFAOYSA-N 445.588 5.190 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H]1C(C)(C)[C@@]2(C#N)Nc1cccc(Br)c1 693736983 JLBHLDRVHGNNHS-WWMYMODYSA-N 434.378 5.179 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCc2ccccc2C1 698457639 MBSZHDCVHJHCJJ-QFIPXVFZSA-N 427.342 5.642 30 10 IKEE CC(C)(C)OC(=O)N(CC1CC1)[C@H](C#N)c1cc(Br)cc(Br)c1 698822861 DALVIAORISAMJC-OAHLLOKOSA-N 444.167 5.423 30 10 IKEE C=CCSc1ccccc1NC(=O)c1scc(Br)c1Br 705499002 DQNOGRLCMOQHDK-UHFFFAOYSA-N 433.190 5.804 30 10 IKEE COc1cccc(CSc2n[nH]c(NN=Cc3ccccc3OCc3ccccc3)n2)c1 1084201098 CYQZCGWKEONUPR-UHFFFAOYSA-N 445.548 5.131 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Oc1ncn3nc(Nc4ccccc4)nc3c1[C@@H]2c1cccs1 1088694313 LQCLWZJPYJGVSQ-LJQANCHMSA-N 443.532 5.097 30 10 IKEE C=CCN(Cc1ccccc1)C(=O)CNc1nc(C)nc2sc(-c3ccccc3)cc12 1539827817 DBBXXOXTZUOTBN-UHFFFAOYSA-N 428.561 5.293 30 10 IKEE CC1(C)[C@H]2CC[C@@]1(C)[C@H](O)[C@@H]2C=Nc1ccccc1N=C[C@@H]1[C@@H](O)[C@H]2CC[C@@]1(C)C2(C)C 1565517589 PUXWGFKLGBSUCF-CPUYWCHKSA-N 436.640 5.958 30 10 IKEE Cc1c(C(=O)N(C)c2ccccc2Cl)oc2c1C(=NNc1ccccc1)CC(C)(C)C2 1772728923 BUVUBIXPMOWOLB-UHFFFAOYSA-N 435.955 6.307 30 10 IKEE COc1ccc(/C=C2/SC(=Nc3cccc(C)n3)N(c3ccccc3)C2=O)cc1OC 1772735138 GCVPTWOOMTZJFO-LLLXPECQSA-N 431.517 5.216 30 10 IKEE CCc1ccc(NC(=S)N/N=C\c2cn(-c3cccc(F)c3)nc2-c2ccccc2)cc1 1857809595 ZMOVVIRADKYNLY-YUMHPJSZSA-N 443.551 5.561 30 10 IKEE N#C[C@H](c1cccs1)N1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 1858106586 DIYLSWFBVYVNEC-MRXNPFEDSA-N 427.879 5.336 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)c1ccc2nc(C(C)(C)C)[nH]c2c1 1861446025 DGQJFACJDYMLMQ-OAQYLSRUSA-N 442.648 5.626 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)c1ccc2nc(CC(C)C)[nH]c2c1 1861457682 MLXCRWMMYOIYFK-OAQYLSRUSA-N 442.648 5.527 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccccc1)c1ccc(Cl)cc1Cl 1862380174 VVOLNKVNIDBZQW-FQEVSTJZSA-N 439.298 5.167 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2)cc1 1862387002 APUOPOGYZDOEOA-DEOSSOPVSA-N 426.516 5.203 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(Cl)cc1Cl 1862388227 DNCCFGFFRMIEPT-MRXNPFEDSA-N 445.129 5.898 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCC(C)C)ccc1O 1862450603 LXVHKJCHSFENCB-OAQYLSRUSA-N 443.927 5.069 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(F)cc2F)cc1 1862477974 WSQAWAHRCJYJMX-JOCHJYFZSA-N 437.417 5.191 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)c1 1862478629 MHPDTOADTSYMED-JKFKMHIGSA-N 433.548 5.551 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cc(Br)ccc1F 1862484277 LDETYXGOJGDJMG-DJJJIMSYSA-N 446.316 5.273 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccccc1F 1862490649 ZZQJSHATZWMIJN-XMMPIXPASA-N 437.555 6.381 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccc(Br)c1 1862496041 AFRFJMNEWHSEEL-YWZLYKJASA-N 442.353 5.443 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc(Br)c3)=C(O)C(=O)N2C(C)C)cc1 1862526823 KLCJQRWYHWZWSV-HXUWFJFHSA-N 442.353 5.559 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2ccc(C)cc2)cc1 1862533725 OFQGRLJNBFYYLA-RUZDIDTESA-N 425.528 5.644 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2ccc(Cl)cc2)cc1 1862536006 OWUDPVDTQKYUIV-DEOSSOPVSA-N 445.946 5.989 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@@H]1c1ccccc1Cl)c1ccc(F)cc1 1862675490 MFMGTENJEGZFBY-HSZRJFAPSA-N 449.909 5.690 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1c(Cl)cccc1Cl)c1ccc(F)cc1 1862681945 CZUFQTITFLXYBI-LJQANCHMSA-N 446.261 5.504 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)c1 1862703188 DDIZHNGJLGTGRH-OZWPHOJSSA-N 449.547 5.251 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1[C@H]1CCCC[C@@H]1C 1862713631 SKAMCQYCWYEULQ-VFHOHQAYSA-N 439.555 6.305 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2C(F)(F)F)=C(c2cc(Cl)ccc2Cl)C1=O 1863389782 LJOCPPQXPUVSAD-UHFFFAOYSA-N 441.236 5.390 30 10 IKEE CCCCCCCCN1C(=O)C(NCCc2ccc(OC)cc2)=C(c2ccc(C)cc2)C1=O 1863620982 AWGOMCJRUQGYCR-UHFFFAOYSA-N 448.607 5.276 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)NCCc1ccc2c(c1)OCO2 1866029761 GGWUMSXURYNILY-UHFFFAOYSA-N 431.661 7.336 30 10 IKEE CCOc1ccc(-c2nc(Nc3cccc(C#N)c3)cc(N3C[C@H](C)OCC3(C)C)n2)cc1 1868518659 VZKUCHTYKHNZFI-SFHVURJKSA-N 443.551 5.161 30 10 IKEE C=CCN(CC=C)c1nc(=NC(=O)c2ccc(C(C)(C)C)cc2)n(-c2ccccc2Cl)[nH]1 1870004113 VGCNAISSVNPNPB-UHFFFAOYSA-N 449.986 5.071 30 10 IKEE CCCCCCCCn1cc(OCC(=O)N(CCC)CCC)c(=O)cc1CN(CC)CC 1870462100 JPRUDUOFSUJHEX-UHFFFAOYSA-N 449.680 5.078 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCOc2ccccc2)cn1CCC1=CCCCC1 1870601693 UWNIGHAWSXAMGI-UHFFFAOYSA-N 448.607 5.371 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCCCCC)cn1Cc1ccccc1Cl 1870672324 ORMCMEOTJDUZQS-UHFFFAOYSA-N 429.004 5.683 30 10 IKEE CCCCCCCCn1cc(OCC(C)C)c(=O)cc1CNc1ccc(OCC)cc1 1870858205 YNEAUOJNECIDRU-UHFFFAOYSA-N 428.617 6.254 30 10 IKEE C=CCn1cc(OCc2ccc(CC)cc2)c(=O)cc1CNc1ccc(OC)c(Cl)c1 1870890458 YFMBZNZJXXRHSN-UHFFFAOYSA-N 438.955 5.450 30 10 IKEE C#CCOc1cn(CCc2ccc(OC)cc2)c(CNc2ccc(CCCC)cc2)cc1=O 1871005469 HLYNCLXWJRGSIK-UHFFFAOYSA-N 444.575 5.066 30 10 IKEE C=CCn1cc(OCCOc2ccc(C)cc2)c(=O)cc1CNc1ccccc1C(C)C 1871212952 DTECFCIMHWBMBG-UHFFFAOYSA-N 432.564 5.536 30 10 IKEE C=CCn1cc(OCCCOc2cccc(C)c2)c(=O)cc1CNc1cccc(Cl)c1 1871219852 POBSDSFQWWESNF-UHFFFAOYSA-N 438.955 5.456 30 10 IKEE Cc1c(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2Cl)C3=O)cccc1[N+](=O)[O-] 1871373606 OXOQVPMIUMXBTR-MTJSOVHGSA-N 449.846 5.700 30 10 IKEE COc1ccc(OC)c(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)c1 1871380650 ZPARRTZQYZFVQJ-DJNRAMKDSA-N 442.467 5.247 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2sccc2C)C3=O)cc1 1871382506 YLOFUHOPPPLQMV-NDENLUEZSA-N 434.469 5.126 30 10 IKEE CCc1ccc(NC(=O)[C@H](CC)Oc2ccc3c(c2C)O/C(=C\c2ccco2)C3=O)cc1 1871426031 SYNTUXOVAZOHBM-XUVWKZFSSA-N 431.488 5.563 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OCC(=O)NCc3ccccc3Cl)c2C)C1=O 1871445831 PKCLMFQJZFDNLJ-QRVIBDJDSA-N 447.918 5.268 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OCc4cccc(C)c4)cc(C)c3C2=O)cc1 1871454970 DFEAQXYWPFRKKB-QQXSKIMKSA-N 427.544 6.345 30 10 IKEE C=CCN([C@@H](CC(C)C)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1cccs1 1872212522 BCHOQTKEACDFLO-FQEVSTJZSA-N 448.654 5.276 30 10 IKEE C=CCN([C@H](C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)c1ccccc1)S(=O)(=O)CC 1872338722 NSIPKZBTMKAICI-DEOSSOPVSA-N 442.625 5.451 30 10 IKEE C=C(C)CN([C@H](C)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872433920 VFMVOYPBLOZLFO-HXUWFJFHSA-N 428.598 5.021 30 10 IKEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872532342 IWAKUBLTQLLPHN-HSZRJFAPSA-N 442.625 5.213 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(Cl)cc3Cl)n2)cc1 1872764435 NBQUKRUSDBKBJC-OAHLLOKOSA-N 433.316 5.381 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(Cl)c(Cl)c3)n2)cc1 1872764752 XCYGVNJZRILETH-UOWSJYKBSA-N 429.328 6.015 30 10 IKEE CCOc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872769283 OFKORCMGXBQYKV-CQSZACIVSA-N 447.343 5.771 30 10 IKEE COc1cc(-c2csc([C@H](C#N)C(=O)CCOc3ccccc3)n2)c(OC)cc1Cl 1872782125 FDYUWICMYSLXSK-MRXNPFEDSA-N 442.924 5.126 30 10 IKEE COc1cc(/C=C/C(=O)[C@H](C#N)c2nc(C)cs2)ccc1OCc1ccc(Cl)cc1 1872789699 REJXFWCIIRQGSU-SQUITACLSA-N 438.936 5.582 30 10 IKEE C=CCc1ccccc1OCc1ccc(C(=O)Nc2ccc(C(=O)OCCOC)cc2)cc1 1872858971 DCNBTYHPPILFNV-UHFFFAOYSA-N 445.515 5.050 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(NC(=O)CC)cc2)=C(c2ccccc2)C1=O 1873413939 QCSLTIHBQJRURY-UHFFFAOYSA-N 447.579 5.588 30 10 IKEE C=CCn1c(C(=O)NCc2ccccc2F)cc2c(N(CCCC)CCCC)ncnc21 1873595762 QKGPQEGSKKAUQR-UHFFFAOYSA-N 437.563 5.093 30 10 IKEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3ccc(Cl)cc3Cl)c(=O)oc2c1 1873947354 ZRWGARQUJBSKDW-UHFFFAOYSA-N 446.330 5.934 30 10 IKEE COc1ccc(OCc2nnc(SC)n2/N=C/c2cccc(Cl)c2)c(C(C)(C)C)c1 1874194200 CNDMOEFVYUSMDN-ZMOGYAJESA-N 444.988 5.421 30 10 IKEE CSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccccc1OC(C)C 1874212290 FOICQSUYXKZATP-BUVRLJJBSA-N 444.988 5.334 30 10 IKEE CCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1c(Cl)cccc1Cl 1874249416 CAUFCBFUSXGVCT-ZVHZXABRSA-N 449.407 5.899 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3F)n2/N=C/c2cccc(O)c2)cc1C 1874358513 LTCDUZLKZXKUFO-JFLMPSFJSA-N 446.551 5.505 30 10 IKEE C=C(C)CSc1nnc(Cc2ccccc2F)n1/N=C/c1ccc(OCCCC)cc1 1874375874 ROXCMWSEDQAVET-WGOQTCKBSA-N 438.572 5.737 30 10 IKEE CCCN(CCC)C(=O)CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1ccccc1 1874399194 JCRDZQRQNGFFIS-AHDHHBBCSA-N 449.624 5.053 30 10 IKEE Clc1ccc(CSc2nnc(Cc3cccs3)n2/N=C/c2cccnc2)cc1 1874414124 CQQZIICLBHMSTD-YDZHTSKRSA-N 425.970 5.153 30 10 IKEE C=C(C)CSc1nnc(-c2cccs2)n1/N=C/c1ccc(OCCCC)c(OC)c1 1874422422 LGSBXNJZUUUTLG-OEAKJJBVSA-N 442.610 5.745 30 10 IKEE Cc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCC(=O)Nc2ccc(C)cc2C)cc1 1874441067 HHRUOMVLXUJHPN-CVKSISIWSA-N 449.624 5.405 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2cccs2)cc1 1874452585 CLYJQGQOYTXVMU-OEAKJJBVSA-N 439.610 5.173 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(F)(F)F)n2/N=C/c2ccc(F)cc2F)c1 1874461534 RVDIJHZFGRJVCK-YCPBAFNGSA-N 426.414 5.366 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(C(=O)O)cc1 1874480625 GKSMRRUBZJMWKA-WYMPLXKRSA-N 446.935 5.286 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(C)(C)C)n2/N=C/c2ccc(Cl)c(Cl)c2)c1 1874484362 RNDAFJIDEKHNLG-BRJLIKDPSA-N 447.435 6.674 30 10 IKEE Cc1ccsc1/C=N/n1c(SCc2ccc(Cl)cc2Cl)nnc1C(C)(C)C 1874486046 YPXYTPAUMDCUSW-LSHDLFTRSA-N 439.437 6.427 30 10 IKEE O=[N+]([O-])c1cc(/C=N/n2c(SCCc3ccccc3)nnc2C2CCC2)ccc1Cl 1874496194 ZULGAIGDXGIMLC-OEAKJJBVSA-N 441.944 5.324 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 1874584106 WYJVGCSJHUCKDB-UKTHLTGXSA-N 435.907 6.847 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C)c(C)c2)c1OCC(=O)Nc1ccc(F)cc1 1874587771 CQYQEQFXGRSICI-NTEUORMPSA-N 433.479 5.365 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cc(Cl)ccc1OCc1ccc(C)cc1 1874592483 MDEQOJSMKJVGJA-JXMROGBWSA-N 427.327 6.786 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3cccc(Cl)c3)c2)cc1OC 1874593859 FKXPYVZICHKVCC-JXMROGBWSA-N 438.907 5.841 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OCC(=O)NC2CCCCC2)c1 1874600793 DFYJWBCNNYEDGB-ZRDIBKRKSA-N 427.928 5.072 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(OC)c1OCc1cccc(C)c1 1874621700 PATUAHNUEDMSJD-PKNBQFBNSA-N 442.511 5.936 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)cc2)cc1 1874629275 UZWBBIHYEAVHHW-XNTDXEJSSA-N 427.544 6.142 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCc3ccccc3OC)c2)cc1C 1874696266 PFDMWXQZHVSMQG-SDNWHVSQSA-N 430.500 5.447 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCCOc3ccc(Cl)cc3)c2)cc1 1874702179 UHWFLGUWIOFLNK-CXUHLZMHSA-N 434.919 6.309 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1OC(=O)Cc1cccs1 1874705816 BJSFGFARLLCJEE-NTUHNPAUSA-N 434.557 6.098 30 10 IKEE COc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3cccc4ccccc34)ccc2OC)cc1 1874707122 PGHDERPVOFUESC-MHWRWJLKSA-N 438.479 5.972 30 10 IKEE COc1ccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3cc(C)cc(C)c3OC)c2)cc1 1874713280 ORZNUQPIDPUCPY-GXDHUFHOSA-N 444.527 5.755 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3cc(Cl)ccc3Cl)c2)cc1 1874718643 KBCHITVIZJGHRU-KPKJPENVSA-N 441.310 6.046 30 10 IKEE Cc1cccc(C)c1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1 1875096703 ATBSEOPDRIXVNQ-SFQUDFHCSA-N 440.539 6.063 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)c1ccc2c(c1)CCCC2 1875096842 ICWDYHDDSQDNHE-LFIBNONCSA-N 427.456 5.589 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(OC)c1OC(=O)CC1CCCCC1 1875104237 MVMPTXWQPJATIS-CCEZHUSRSA-N 448.559 6.204 30 10 IKEE O=C(COCc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1Cl 1875120635 CACXIWXNZDEBEQ-UXBLZVDNSA-N 442.845 5.637 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1[N+](=O)[O-] 1875126725 ALBJUNPAIUPIIO-MDWZMJQESA-N 435.863 5.683 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)CCc1ccc(CC)cc1 1875128828 WRPRVCZRKWJSCN-SAPNQHFASA-N 428.528 6.082 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(C)c3)cc2Cl)cc1C 1875141684 PMZHCBKQNSMTGD-UXBLZVDNSA-N 436.910 6.449 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc([N+](=O)[O-])c1OC(=O)CC(C)(C)C 1875141886 AGIPCQUDZMKZDW-JXMROGBWSA-N 443.471 5.679 30 10 IKEE Cc1cncc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2Cl)c1 1875148140 CETAGBBYYAZWIW-VZUCSPMQSA-N 433.935 6.456 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1Cl 1875154132 QIHHEYXUKTWMQB-FYWRMAATSA-N 432.947 7.265 30 10 IKEE COc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(C)c3C)cc2)cc1 1875167692 LCGBNZAREACFPR-VIZOYTHASA-N 446.499 5.201 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc(Cl)c1OC(=O)CC(C)(C)C 1875169955 VTPREROYOFVNRS-CMDGGOBGSA-N 444.955 6.212 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)c(OC)cc2OC)cc1OC 1875175941 OKOVGSRVHCFCBE-CSKARUKUSA-N 432.900 5.358 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)ccc1OC(=O)c1cccs1 1875193832 CDRIEASOBCMAGS-VMPITWQZSA-N 428.893 5.534 30 10 IKEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)Nc3ccc(-c4csc(C)n4)cc3)n[nH]2)c1C 1891002233 IBSGWNBEZMGQRG-UHFFFAOYSA-N 432.553 5.150 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](O)c1ccc(C)c(Br)c1C 1922070250 XTMCBAXQXQKUQB-GOTSBHOMSA-N 432.402 5.241 30 10 IKEE C=C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)(c1ccccc1)[C@H](CC)C(=O)O 1927430495 ZZWDVPZEEQFBKL-LEAFIULHSA-N 441.527 5.717 30 10 IKEE CC[C@H](NC(=O)OC(C)(C)C)[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1OC 1941062324 UHRCCABGXFPBEP-FDDCHVKYSA-N 433.549 5.022 30 10 IKEE CC(C)(C)OC(=O)NCCN(CC(=O)C1=CC[C@H](C(C)(C)C)CC1)Cc1ccccc1 2010728476 GEAHLMHPWXWALR-QFIPXVFZSA-N 428.617 5.355 30 10 IKEE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)C1=CC[C@@H](C(C)(C)C)CC1 2010730548 ZPJRICIMHQLZOZ-YADHBBJMSA-N 429.601 5.828 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)CC12CCC2 2011892648 MZHZJVLEGYEBAQ-XMMPIXPASA-N 433.593 5.382 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1(C)C 2013405073 GDXDAWJKVWYNBF-UZUQRXQVSA-N 433.524 5.153 30 10 IKEE CC(C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 2018644043 ASOLXTIUMJKAFI-DEOSSOPVSA-N 435.609 5.628 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1c(Cl)cccc1Cl)c1ccccc1 2033814135 MAKMHXVMYDRISB-LJQANCHMSA-N 444.339 5.833 30 10 IKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CN(Cc2ccccc2)C2(CCCCCC2)C1 2038912916 LQICXSHNQLEARU-AJTFRIOCSA-N 439.644 6.283 30 10 IKEE C=CCCC[C@@H](NC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071358346 OPUSTCYEJYUSGE-NAKRPHOHSA-N 431.576 5.822 30 10 IKEE CC(C)[C@H](c1ccc(C2CC2)cc1)n1nc(C(F)F)c(C#N)c1I 2079092284 CCXSVHVLPXXVNF-MRXNPFEDSA-N 441.263 5.420 30 10 IKEE CCCc1ccc([C@H](C)n2nc(C3CCC3)c(C=NO)c2I)cc1 2079863293 RRERMXBJVFEBBU-ZDUSSCGKSA-N 437.325 5.125 30 10 IKEE CC(C)c1ccc([C@H](C(C)C)n2nc(C(C)(C)C)c(C#N)c2I)cc1 2079971022 ASFDTVUIISSXCM-SFHVURJKSA-N 449.380 6.026 30 10 IKEE CCCOc1ccc([C@@H](C)n2nc(C3CCC3)c(C#N)c2I)cc1 2080063433 DFNWSMYHQUJNCA-CYBMUJFWSA-N 435.309 5.025 30 10 IKEE COc1ccc(/C=N/c2nc3c(s2)CCc2c-3c(C)nn2-c2ccccc2)cc1OC 2080385437 IOQUMGUQJAUZDZ-AFUMVMLFSA-N 430.533 5.171 30 10 IKEE CCCCCCCC[C@@H](CCCCCC)C(=O)OCCCCCCNCCCCO 2081011911 AIKFOPXHSONQHU-RUZDIDTESA-N 427.714 6.789 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CC[C@@H]2[C@@H](C1)C2(F)F 2090783809 BMUCGFSJSILUTP-IIDMSEBBSA-N 427.289 5.518 30 10 IKEE CCCCCCCC[C@H](NC)[C@H](O)c1scc(Br)c1Br 2150561370 DSFOEEFZLZLSRM-JSGCOSHPSA-N 427.246 5.645 30 10 IKEE CCN(Cc1ccc(Nc2cc(Br)ccc2C#N)cc1)C(=O)OC(C)(C)C 2169058773 RRCPPTZZKWEFHL-UHFFFAOYSA-N 430.346 5.821 30 10 IKEE CO[C@@]1(C)C[C@H]2C[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2185280952 BCYKYHBRSFRDEJ-YQMDMEMYSA-N 435.362 5.288 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CCCC[C@]2(C#N)N(C(=O)OC(C)(C)C)c2ccccc2)C1 2221551969 CMZRGAHDZUWXDD-RUZDIDTESA-N 441.572 5.502 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)C[C@H](CC)CNC(=O)OC(C)(C)C 2235747041 MXZSJGOEHTZAEW-HKUYNNGSSA-N 437.422 5.110 30 10 IKEE C#CCCCCC[C@H](NC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237398192 KSEYACQADDRSID-PMACEKPBSA-N 437.422 5.057 30 10 IKEE C=C1CC(C[C@@H](NCC)[C@@H](Cc2ccccc2Br)NC(=O)OC(C)(C)C)C1 2237420836 XSIOXPJVTFZQDS-WOJBJXKFSA-N 437.422 5.219 30 10 IKEE C=C1C[C@@H]1C[C@@H](NCCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237425262 PUWQWEVRGBFSTL-MISYRCLQSA-N 437.422 5.219 30 10 IKEE C=CCCC1([C@@H](NC)c2c(Cl)cccc2Br)CN(C(=O)OC(C)(C)C)C1 2266301023 UAVKTYYQAPUPAB-KRWDZBQOSA-N 443.813 5.566 30 10 IKEE C=CCCC1([C@@H](NCC)c2cc(Br)ccc2C)CN(C(=O)OC(C)(C)C)C1 2281038353 SBIGRFXIEGEGID-IBGZPJMESA-N 437.422 5.611 30 10 IKEE CC(C)(C)OC(=O)NC1(CC[C@H](O)C#Cc2cccc(Br)c2)CCCCC1 2296223571 BGMFOOGUAQYNEZ-LJQANCHMSA-N 436.390 5.169 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)c1cc(Br)c(Cl)s1 2296310784 NTVXYDLRDRNWJB-ZDUSSCGKSA-N 433.596 5.629 30 10 IKEE Cc1ccc(C(O)=C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(Cl)cc2Cl)cc1 2296924053 ORDFAXRQDNMFJA-FQEVSTJZSA-N 442.298 5.517 30 10 IKEE CCCN[C@H](C#Cc1nc(CC)cs1)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 2300957034 IYMKJLHMMIREJS-JOCHJYFZSA-N 441.641 5.253 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(OCc3ccccc3F)c(OCC)c2)SC1=S 2313507611 WZKUWDSPMAERSL-UHFFFAOYSA-N 429.538 5.191 30 10 IKEE CCOc1ccc(C=Nn2c(CC)nnc2SCc2cccc(Cl)c2)c(OCC)c1 2318574078 DVFSLPYCLQZTMX-UHFFFAOYSA-N 444.988 5.466 30 10 IKEE COc1cccc(C=NNc2oc(-c3ccccc3)nc2C#N)c1OCc1cccc(C)c1 2320833996 VMJNDYLMOJVCFT-UHFFFAOYSA-N 438.487 5.555 30 10 IKEE COc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(C2CCCCCC2)C4)cc1OC 2322078858 UCBFKETXVVNQOJ-UHFFFAOYSA-N 449.547 5.503 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1c(F)cccc1Cl)O3)CN([C@@H]1CCCC[C@H]1C)CO2 2322153211 KSFAAOLTXYFSRA-JLTOFOAXSA-N 441.930 6.134 30 10 IKEE Sc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc(Cl)c(Cl)c1 2322203162 BOTAQUMGWGWFLB-UHFFFAOYSA-N 427.360 5.694 30 10 IKEE C[C@@H](c1ccc2c(c1)CCCC2)N1COc2ccc3c(c2C1)OC(=Cc1ccco1)C3=O 2322256222 UMBZZHKUAPMODG-KRWDZBQOSA-N 427.500 5.688 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Cl)ccc2OCc2nc(O)c3ccccc3n2)c1 2322372005 ZMMURBBQQRLBML-UHFFFAOYSA-N 446.890 5.473 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)c1OCc1ccc(Cl)cc1 2322687652 KQGXVABDRDKPGL-UHFFFAOYSA-N 434.963 7.121 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(OC(=O)c3ccc(F)c(F)c3F)c2C)C1=O 2323127363 WKYSVKVPRLRDIV-UHFFFAOYSA-N 430.403 5.618 30 10 IKEE Cc1c(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)cccc1[N+](=O)[O-] 2323260838 KZGFGNWNADKPMB-UHFFFAOYSA-N 433.391 5.186 30 10 IKEE Cc1cc(OC(=O)c2c(F)cccc2Cl)cc2c1C(=O)C(=Cc1ccc(F)cc1)O2 2323353660 XDXPURZXTPFURD-UHFFFAOYSA-N 426.802 5.762 30 10 IKEE Cc1nc2ccc(C(=O)Oc3ccc4c(c3C)OC(=Cc3ccccc3)C4=O)cc2nc1C 2323556754 OGXXDGFKSPAKRZ-UHFFFAOYSA-N 436.467 5.390 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)c3ccc(OCC(C)C)cc3)ccc2C1=O 2323629841 QORRWMGENZGSLN-UHFFFAOYSA-N 428.484 5.865 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(OC)c2)C3=O)cc1 2323791290 NGBJTTWDRVRGGT-UHFFFAOYSA-N 430.456 5.238 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2OCC)C3=O)c1 2323832094 JOGRIIRQEKMAKB-UHFFFAOYSA-N 444.483 5.710 30 10 IKEE Cc1ccc(C)c(COc2ccc(C=CC(=O)c3ccc(Oc4ccccc4)cc3)cc2)c1 2324281161 QDSDINOERULGES-UHFFFAOYSA-N 434.535 7.571 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1cc(Cl)ccc1Cl 2324651725 GBMFTMDFNTVBHH-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE COc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3c[nH]c4ccccc34)cs2)c(OC)c1 2324672833 TYSSWFKGZKXTLI-SFHVURJKSA-N 429.501 5.198 30 10 IKEE CCCC[C@@H](Oc1cc(C)c2c(c1)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O)C(=O)O 2324784534 LXOVHUBIAKALIA-QGZVFWFLSA-N 435.303 5.940 30 10 IKEE C[C@H](NC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1Cl)C2=O)c1ccccc1 2325009125 MPGXRFPYBHERGT-INIZCTEOSA-N 433.891 5.212 30 10 IKEE CCCCCOc1ccc(C=Nn2cnnc2SCc2cccc(Cl)c2)cc1OC 2325666299 HXROYXZBWCOEME-UHFFFAOYSA-N 444.988 5.684 30 10 IKEE COc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)CCc1ccccc1C 2325675287 MSILVBWBNICRFO-UHFFFAOYSA-N 445.471 5.346 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)c2)cc1 2325706239 ZMDKMZQKGLBRRK-DNQXCXABSA-N 430.931 6.508 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc(OCC(=O)Nc3ccc(C)cc3)c2C)C1=O 2325715740 JGHRWHUWJCKJJL-UHFFFAOYSA-N 443.499 5.336 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3cc(C)ccc3C)c2)cc1 2325739224 BERKSRWSISVARF-UHFFFAOYSA-N 428.528 6.136 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccccc3F)c2)c2ccccc12 2325776181 DCFXOGIFBGIPSU-UHFFFAOYSA-N 440.470 6.032 30 10 IKEE CCn1cc(C=Nn2c(C)nnc2SCc2ccc(C(C)(C)C)cc2)c2ccccc21 2326322686 KIWYOHAIUYFALQ-UHFFFAOYSA-N 431.609 6.033 30 10 IKEE CCc1ccc(OCCCc2nnc(SCc3ccccc3)n2N=Cc2ccc[nH]2)cc1 2326323949 LELBIDGUMHKGBZ-UHFFFAOYSA-N 445.592 5.355 30 10 IKEE CCCc1nnc(SCc2ccc(Br)cc2)n1N=Cc1cccc(C)c1 2326620331 ZQUZQEIDESJLRL-UHFFFAOYSA-N 429.387 5.476 30 10 IKEE CCCCOc1ccc(C=Nn2c(CCC)nnc2SCc2ccc(C#N)cc2)cc1 2326677606 RTPYAXROFNLMRY-UHFFFAOYSA-N 433.581 5.456 30 10 IKEE CCCSc1nnc(COc2ccc(OCC)cc2)n1N=Cc1ccccc1Cl 2326689133 OAXBMUMDTCVSFF-UHFFFAOYSA-N 430.961 5.294 30 10 IKEE C=C(C)CSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1ccc(Cl)cc1 2327003153 QXYWIJGTSXQILL-UHFFFAOYSA-N 441.000 5.802 30 10 IKEE CCCCC1CCC(c2nnc(SCC(=O)OCC(C)C)n2N=Cc2ccc[nH]2)CC1 2328198244 LTNLWBSDTCJXDL-UHFFFAOYSA-N 445.633 5.244 30 10 IKEE COc1ccccc1CCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccco1 2328669446 ZOQPSDHHQRLLCE-UHFFFAOYSA-N 432.549 5.148 30 10 IKEE Cc1cccc(C=Nn2c(CCc3ccccc3C)nnc2SCc2ccccc2)c1 2329486454 SAPKONUTLZLSJW-UHFFFAOYSA-N 426.589 5.855 30 10 IKEE Oc1ccccc1C=Nn1c(Cc2ccccc2F)nnc1SCc1ccc(F)cc1 2329712828 NXGCXJHJXADKDX-UHFFFAOYSA-N 436.487 5.027 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2ccc([N+](=O)[O-])cc2)cc1 2329986310 OGRMJPXOKIIBNJ-UHFFFAOYSA-N 443.532 5.260 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1Br 2331030401 MBYHDTAKBDSBES-UHFFFAOYSA-N 432.270 5.349 30 10 IKEE Oc1ccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C2CCCC2)cc1 2331081661 YBUNRAYOMHCHQY-UHFFFAOYSA-N 447.391 6.123 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccnc2)c(Br)c1)c1ccc(Cl)cc1 2331145002 FTAKODAPTPYZDL-UHFFFAOYSA-N 442.696 5.613 30 10 IKEE COc1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2-c2ccco2)cc1OC 2331183332 XBXVENUMEZACEO-UHFFFAOYSA-N 434.521 5.038 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)CC(C)C)c(OCC)c2)cc1 2331201331 OFGILEARRJJFKD-UHFFFAOYSA-N 430.928 5.985 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1cccc(OC)c1O 2331358541 KPJJRQSKWACBTG-UHFFFAOYSA-N 448.951 5.302 30 10 IKEE COCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccccc1Cl 2331592183 ZHNKSWMWDXQPOL-UHFFFAOYSA-N 441.771 5.559 30 10 IKEE CCCC(=O)Oc1ccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1OCC 2331597149 GMBALHJVSARTDM-UHFFFAOYSA-N 430.500 6.479 30 10 IKEE COc1cc(C=Nn2c(SCc3cccc(C)c3)nnc2C(C)C)cc(Cl)c1O 2331685051 YFKIPECTMCHNCE-UHFFFAOYSA-N 430.961 5.252 30 10 IKEE Cc1cccc(C)c1NC(=O)CSc1nnc(C(C)C)n1N=Cc1cccc(Cl)c1 2331695865 WKBOBZPEDWKLOV-UHFFFAOYSA-N 441.988 5.285 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3cccc(Br)c3)cc2)c(C)c1 2331762751 LASYJZAZCAFUOE-UHFFFAOYSA-N 449.344 6.490 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1[N+](=O)[O-])c1ccccc1 2331860744 HYESYCAXAGVYAW-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE O=C[C@@]1(Cc2ccc(I)c(Br)c2)CCCC12CCC2 2349920503 JUCOIIOACMBUOS-INIZCTEOSA-N 433.127 5.136 30 10 IKEE Cc1cc(CN(C)[C@H]2CC(C)(C)[C@@H]2OCc2ccccc2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369738415 IUFZALWKVWVNLD-LOSJGSFVSA-N 449.444 5.110 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OCC)cc3)[C@@H]2c2cccs2)cc1 5921375 ZDZMWNOPUYKSFK-JOCHJYFZSA-N 449.528 5.328 30 10 IKEE Cc1ccc(NS(=O)(=O)c2ccc(/N=C/c3c(Cl)cccc3Cl)cc2)c(C)c1 12482354 MCZZMECRDWVOBG-ZMOGYAJESA-N 433.360 6.162 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(Cl)c(Cl)c2)C3)cc1 21228958 PETKWNXBZSBFMZ-WBVHZDCISA-N 430.331 5.396 30 10 IKEE CCn1nc(C)c(CCN/C(=N\C(=O)c2cccc(C)c2)Nc2ccc(C(C)C)cc2)c1C 32973283 QKDJSZVWBXGXQM-UHFFFAOYSA-N 445.611 5.392 30 10 IKEE Cc1cccc(/N=C2/S/C(=C\c3c(Cl)cccc3Cl)C(=O)N2C2CCCCC2)n1 39863658 MDGHMVKUSSSMFN-FULCUCPXSA-N 446.403 6.634 30 10 IKEE C=CCc1ccc(OCCn2c([C@H](O)c3ccccc3)nc3cc(C)c(C)cc32)c(OC)c1 40310378 ZZFKEWGGUCXVPB-HHHXNRCGSA-N 442.559 5.551 30 10 IKEE CCCCCCCCCCCCCCCCOC(=S)NC[C@H]1CCS(=O)(=O)C1 59568438 JOPNLECKISKIEQ-OAQYLSRUSA-N 433.724 5.794 30 10 IKEE CCCCCCCCCn1c([C@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)nc2ccccc21 102206563 NJDLJTUICZPRON-QHCPKHFHSA-N 431.624 6.924 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2cccc(C)c2C)cc1 169925041 WEWGSPNDPAWKCP-DEOSSOPVSA-N 445.490 5.542 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2cccc(OC)c2)cc1 169933112 MABPHJKVUJUXQE-VWLOTQADSA-N 441.527 5.657 30 10 IKEE CCOc1cc([C@H]2NC(=S)N(C)C(C)=C2C(C)=O)ccc1OCc1ccc(Cl)cc1 169937030 JQZXKBHACXOKJW-JOCHJYFZSA-N 444.984 5.042 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccc(O)cc2)cc1 169958096 KHNIQIXQXPSCDB-QHCPKHFHSA-N 447.918 5.952 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(OCC)cc2)=C(N2CCC(C)CC2)C1=O 169993751 RPYDZTJCMBTBJB-UHFFFAOYSA-N 426.601 5.258 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2ccncc2)c(C)c1 170018663 UXHFQBBGGJYACS-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2ccccc2)cc1 170028618 IFYNUHDAZFJFSY-XMMPIXPASA-N 438.483 5.350 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccc(F)cc2)cc1C 170062384 SCHJFXBXIYJCAY-XMMPIXPASA-N 429.491 5.842 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1ccccc1OC(C)C 170151144 QXADXAKBSICBAL-QHCPKHFHSA-N 437.536 5.249 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2cccs2)cc1 170156797 GHPAWBLQETXWBU-JOCHJYFZSA-N 428.513 5.575 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC(C)C)cc3)[C@H]2c2cccs2)cc1 170159655 RKCGLOVZANIDJL-HSZRJFAPSA-N 447.556 5.874 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccncc2)cc1 170209403 AMRHKQGSSSGDGU-HSZRJFAPSA-N 434.536 5.027 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@@H]1c1cccc2ccccc12 170220675 DGSNPRWMEWCMBP-QHCPKHFHSA-N 449.934 5.880 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccccc2)c(C)c1 170225072 OJASPHZLYPOYEA-XMMPIXPASA-N 427.500 5.403 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@H]1c1ccccc1 170232870 YKPBRWNOMRXOBT-HSZRJFAPSA-N 435.564 5.761 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@H]1c1ccc(Cl)cc1 170236071 MUDDJEKIISRPMZ-JOCHJYFZSA-N 441.955 5.753 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2F)ccc1OC(C)C 170253661 CXCOASVQBXSTAE-QHCPKHFHSA-N 437.511 5.442 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1c[nH]c2ccccc12)c1cccc2ccccc12 170254241 LVNQPLDFBAFEEL-SANMLTNESA-N 444.490 6.104 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1c[nH]c2ccccc12 170255906 LBUBNHYYNNWCBO-HSZRJFAPSA-N 427.504 5.418 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cn(C)c2ccccc12 170269338 AMWFPGGJGQNGHQ-RUZDIDTESA-N 438.527 5.710 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1C 170271214 KDYXISJMKBERQI-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@@H]1c1ccccc1C 170277294 VKXKGHSCZWEIIP-DEOSSOPVSA-N 435.564 5.798 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2ccco2)c1 170283881 AJMOQPRSAADNSQ-NRFANRHFSA-N 437.879 5.423 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccco2)cc1C 170287719 POTJAQPZCCRHIE-HSZRJFAPSA-N 431.488 5.468 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1ccc(C)o1 170300303 IZABMCNPSVZLJZ-JOCHJYFZSA-N 431.488 5.305 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccc(C)o2)c(C)c1 170301614 OYBAXBGBIBTXKZ-QHCPKHFHSA-N 431.488 5.305 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1ccc(C)o1 170305359 JCZFEUMUEFPVJB-NRFANRHFSA-N 437.879 5.341 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1cccc(OCc2ccccc2)c1 170457452 HHFCVDMVYDSLDF-AREMUKBSSA-N 441.527 5.781 30 10 IKEE CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)SC1=Nc1ccc(O)cc1C 254347790 KMESQZRQUHUZEG-BZMHFZIGSA-N 425.579 5.475 30 10 IKEE Oc1ccc(Br)cc1C=Nc1cc(C(F)(F)F)ccc1Oc1ccccc1 254582608 XOQBPIUIDJODPO-UHFFFAOYSA-N 436.227 6.716 30 10 IKEE CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 256606797 XQIVDOSRZQSWFL-QGRQCJTNSA-N 438.696 7.556 30 10 IKEE biogenic CC(C)COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccccn2)c1 526517189 QKZZYLVUCGJVRI-DEOSSOPVSA-N 425.488 5.045 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(C(C)C)cc1 526773553 ONCFVHNWDCCDBE-DEOSSOPVSA-N 445.946 6.555 30 10 IKEE CCOc1ccc2ccccc2c1/C=N\n1c(CC)nnc1SCc1ccccc1F 526802892 NFGYVQBSDPOJRL-YSMPRRRNSA-N 434.540 5.706 30 10 IKEE CCCCc1nnc(SCc2ccc(Br)cc2)n1/N=C\c1cccc(O)c1 526820244 MUSDMFNUGHNKRR-XKZIYDEJSA-N 445.386 5.263 30 10 IKEE CCC(C)(C)c1ccc(Oc2ccc(N=C/C=C3\N(C)c4ccccc4C3(C)C)cc2)cc1 606347722 QJFBBUIYMIBCDH-MFGPRAMTSA-N 438.615 8.180 30 10 IKEE COc1ccc(OC)c(-c2csc(=NC3CCCCC3)n2N=C(C)c2cccnc2)c1 606348033 YNELKOSCJLJQDJ-UHFFFAOYSA-N 436.581 5.135 30 10 IKEE C=CCC1([C@@H](Cc2cc(Cl)ccc2Br)NC)CN(C(=O)OC(C)(C)C)C1 722911622 CSDSPUXYKGPABY-QGZVFWFLSA-N 443.813 5.046 30 10 IKEE Oc1ccccc1C=Nc1cc(C(F)(F)F)ccc1Oc1ccc(Cl)c(Cl)c1 1084200071 KDUPLRKSZKJPML-UHFFFAOYSA-N 426.221 7.261 30 10 IKEE O=C1N=C(NN=Cc2ccccc2)S/C1=C\c1ccc(-c2cccc(Cl)c2Cl)o1 1772724196 NECBKSVAAYVJFY-RGNPBBJXSA-N 442.327 5.847 30 10 IKEE Cc1csc(N=C2S/C(=C/c3ccccc3[N+](=O)[O-])C(=O)N2C2CCCCC2)n1 1772736059 ICCMGDRGFDSVSE-BNCGLULESA-N 428.539 5.296 30 10 IKEE Cc1ccc(COc2ccccc2/C=C2/SC(=Nc3cccnc3Cl)N(C)C2=O)cc1 1772739199 VLTHJFSQUWTXJP-RWYGKYMDSA-N 449.963 5.856 30 10 IKEE N#Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)n(Cc3ccccc3Cl)n2)cc1 1859388550 KSCLZWPZVGPIOR-UHFFFAOYSA-N 447.325 6.029 30 10 IKEE CC[C@@H](C)N(C(=O)Cc1c(F)cccc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1859899739 VDSDPEIABWOBFP-LLVKDONJSA-N 439.346 6.377 30 10 IKEE CCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1 1861425808 AEXZDJKFLJRWLF-HHHXNRCGSA-N 448.611 5.605 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)CCCOc1ccccc1 1861694657 CLLCUZWWFGPFTH-DEOSSOPVSA-N 432.649 5.778 30 10 IKEE CCCCCCCCNC(=O)[C@H](C)NC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 1861720019 JZPPBGNOHIGVQF-JHNUBAFKSA-N 436.596 5.260 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1c(F)cccc1Cl 1862383648 PKLCZMULZCCTDE-KRWDZBQOSA-N 440.685 5.550 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@H]1c1ccccc1F)c1ccccc1Cl 1862430743 QSXZWJXGJFSFFH-QFIPXVFZSA-N 439.914 5.948 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccccc1[N+](=O)[O-] 1862436139 MKQJXVDUFJSNCC-LJQANCHMSA-N 428.872 5.017 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2cccc(Cl)c2)cc1 1862476169 DLNWPRRCIHAJRK-OAQYLSRUSA-N 427.928 5.042 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(F)cc1F 1862491221 NYISONDBOGQHML-QFIPXVFZSA-N 427.491 5.740 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCC(C)C)c1 1862495798 VHUWLPKGLZRASU-DEOSSOPVSA-N 435.564 5.717 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CC2)cc1OC 1862499331 DVLDSWWGYVOUFG-XMMPIXPASA-N 449.547 5.232 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1c(Cl)cccc1Cl 1862509172 ZOTONKVIUUFSIF-CWTRNNRKSA-N 436.310 5.818 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccc(F)cc1)c1ccc2c(c1)CCCC2 1862544423 CJMZAJKYVDVBDO-VWLOTQADSA-N 447.550 6.006 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(C(=O)O)cc1 1862547645 ZLASMGOPCGIKDK-QHCPKHFHSA-N 447.531 5.032 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(C(C)C)cc1 1862583773 JSZLFVCNHFGPHY-HXUWFJFHSA-N 430.331 5.881 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1cccc(OCCC)c1 1862623973 XRTQZGPZLGURNA-XMMPIXPASA-N 449.591 6.151 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C2CCCCC2)cc1 1862628624 COHDAYYIPQHZKL-DEOSSOPVSA-N 447.531 5.450 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1ccc(C(F)(F)F)cc1)c1cccc2ccccc12 1862655461 IZUHVELEMZACGY-OAQYLSRUSA-N 437.417 5.599 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862690806 FNTGERJABJKDHJ-IGUJJWBZSA-N 444.531 5.334 30 10 IKEE CCOc1ccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862804323 CRHZPNZFIMBUCC-UHFFFAOYSA-N 443.890 5.007 30 10 IKEE CC(C)c1ccc(NC2=C(c3c[nH]c4ccccc34)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1863131881 QCQFUSDOSXMSAM-UHFFFAOYSA-N 446.510 5.560 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(C)c(C)c2)C1=O 1863254324 WZRAHMNCCVCOQD-HSZRJFAPSA-N 429.564 5.726 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2OCC)=C(c2ccc(C)cc2)C1=O 1863263039 MPMNWFSGAZWAHG-UHFFFAOYSA-N 434.580 5.946 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2C#N)=C(c2ccccc2Cl)C1=O 1863452257 FDKKDLDRANEVQO-UHFFFAOYSA-N 435.955 5.764 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(Nc3cccc(C#N)c3)=C(c3c[nH]c4ccccc34)C2=O)c1 1863495193 HOXGQESNDCJUBM-UHFFFAOYSA-N 446.510 5.049 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(N(CCC)CCC)cc2)=C(c2c[nH]c3ccccc23)C1=O 1863500226 DZUFYVFUNLITCC-UHFFFAOYSA-N 442.563 5.172 30 10 IKEE C=CCN1C(=O)C(NC2CCCCCCC2)=C(c2ccc(OCc3ccccc3)cc2)C1=O 1863707084 ZHGCUCCDOZYKQQ-UHFFFAOYSA-N 444.575 5.234 30 10 IKEE CCC[C@@H](NC(=O)[C@H](c1ccc(Cl)cc1)C1CCCC1)C(=O)Nc1ccccc1C#N 1867006017 PEWGQAXMNOIEMT-PKTZIBPZSA-N 437.971 5.409 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N2C[C@@H](C)C[C@H](C)C2)nn1-c1ccc(OC)cc1 1870017151 VGUQUPNTOPEEKJ-PMACEKPBSA-N 441.620 5.447 30 10 IKEE CCCCCCCCn1cc(OCC(=O)Nc2ccc(F)cc2)c(=O)cc1CSCC 1870204396 PYMBTFYIBRKHDR-UHFFFAOYSA-N 448.604 5.619 30 10 IKEE C=CCn1cc(OCCCCOc2cccc(C)c2)c(=O)cc1CN1C[C@@H](C)C[C@@H](C)C1 1870315424 JJIVYJFPUMSPSO-ZRZAMGCNSA-N 438.612 5.059 30 10 IKEE CCCCCCCCCCn1cc(OC)c(=O)cc1CNc1ccc(Cl)c([N+](=O)[O-])c1 1870998190 MMTSALLAJMRGNX-UHFFFAOYSA-N 449.979 6.171 30 10 IKEE CCCCC[C@H](CC)N1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(OC)cc1)C3=O 1871347486 BNNPVBFBJCGGJZ-ORQKMDSUSA-N 435.564 6.131 30 10 IKEE CCc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2cccc(C)c2)C4)cc1 1871348036 MGMRWZPBYHNROV-QFEZKATASA-N 425.528 5.834 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1cccs1)C3=O)CN(CCc1c[nH]c3ccccc13)CO2 1871350069 JDUBCBWITHAUEL-FMCGGJTJSA-N 442.540 5.549 30 10 IKEE CCCCC[C@H](CC)N1COc2c(cc3c(c2C)O/C(=C\c2ccccc2OC)C3=O)C1 1871353033 AIUFYOSXPMLBDF-UCHNXLLDSA-N 435.564 6.131 30 10 IKEE Cc1c(OC(=O)c2cccc3ccccc23)ccc2c1O/C(=C\c1ccc(N(C)C)cc1)C2=O 1871378151 XRQGSUMASWEKLH-ONUIUJJFSA-N 449.506 6.050 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3c(ccc(OCCCc4ccccc4)c3C)C2=O)c1 1871399817 UUQCDQVWKHCGFG-UQQQWYQISA-N 430.500 5.640 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccc(F)cc4)c3C)C2=O)cc1 1871400436 CAKRIKFXUKFMKZ-HZRSJKMUSA-N 445.490 5.719 30 10 IKEE Cc1ccccc1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 1871408249 CIXCTKRCUANHAV-AODJWGFKSA-N 439.511 5.882 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2sccc2C)C3=O)c1 1871412250 PQZUNUAJESXWRZ-QLTNSANVSA-N 447.556 6.004 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCCC(=O)Nc4ccccc4)cc(C)c3C2=O)cc1 1871447471 URQGPBKLPRQVCW-JLPGSUDCSA-N 443.499 5.418 30 10 IKEE Cc1cc(OCC(=O)Nc2ccccc2Cl)cc2c1C(=O)/C(=C/c1ccccc1F)O2 1871455468 NRUYLERODKBYSN-NHDPSOOVSA-N 437.854 5.421 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4cc(C)ccc4C)c3C)C2=O)c1 1871460365 JEEZIGZHKFBAFG-OYKKKHCWSA-N 427.500 5.554 30 10 IKEE CCCCCCCCN=c1nc(N(CCC)CCCC)[nH]c(=Nc2cccc(F)c2)[nH]1 1871545937 YGXCBDGWHYJGMW-UHFFFAOYSA-N 430.616 5.387 30 10 IKEE C=CCN=c1nc(Nc2ccc(-c3ccccc3C)cc2)[nH]c(N(CCCC)CCCC)n1 1871640143 YPLNWPXQAGDYOS-UHFFFAOYSA-N 444.627 6.017 30 10 IKEE N#C[C@H](C(=O)Cc1cccc2ccccc12)c1nc(-c2cccc(Br)c2)cs1 1872764505 ORHIYOURRVHMFM-HXUWFJFHSA-N 447.357 6.145 30 10 IKEE N#C[C@@H](C(=O)Cc1ccc(Br)cc1)c1nc(-c2ccccc2Cl)cs1 1872764767 XNMAMJWSSBRBCD-HNNXBMFYSA-N 431.742 5.645 30 10 IKEE COc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c(C(C)(C)C)c1 1872770220 NKHHLPQZQZWKJK-IBGZPJMESA-N 434.561 5.680 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)COc2ccc(C)cc2C)n1 1872777493 PBTPUYRUKHIUCS-FQEVSTJZSA-N 448.588 5.988 30 10 IKEE CCCCCCCCNC(=O)c1cccc(COc2ccc(C)cc2Br)c1 1872839336 MGEZZPXVWMOOBO-UHFFFAOYSA-N 432.402 6.427 30 10 IKEE CCCCCCCCNC1=C(c2ccc(C)c(C)c2)C(=O)N(CCCCCCCC)C1=O 1873141255 QUXRWXUCQFORHZ-UHFFFAOYSA-N 440.672 6.694 30 10 IKEE C=CCN1C(=O)C(Nc2cc(Cl)c(Cl)cc2Cl)=C(c2c(C)cc(C)cc2C)C1=O 1873330148 CMMXIUKVFXXXLC-UHFFFAOYSA-N 449.765 5.950 30 10 IKEE CCCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1cccc(Cl)c1 1874213905 KYRIURWQGFVQEX-BUVRLJJBSA-N 449.407 5.981 30 10 IKEE CCCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc(N(C)C)cc1 1874234179 VYYJPMMKGHIRQI-ZXVVBBHZSA-N 443.620 5.667 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CCCOc3ccccc3)nnc2SCC)cc1 1874316743 IMPWBDRZSIEGBI-NCELDCMTSA-N 438.597 5.463 30 10 IKEE Cc1cccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccc(F)cc2)c1C 1874323256 GKOKSEUIXYWERY-JFLMPSFJSA-N 446.551 5.788 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccccc1O 1874361641 PGVOQEIRGOUXJI-JVWAILMASA-N 446.551 5.391 30 10 IKEE CSc1nnc(-c2ccccc2Cl)n1/N=C/c1cc(Br)ccc1F 1874365131 MJIBYMLEJURQIB-AWQFTUOYSA-N 425.714 5.104 30 10 IKEE C=C(C)CSc1nnc(Cc2ccccc2F)n1/N=C/c1ccc(Cl)c(Cl)c1 1874375656 HQAZUCBKHPFHPN-BHGWPJFGSA-N 435.355 5.865 30 10 IKEE Fc1ccc(/C=N/n2c(COc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 1874383105 XVAOJDAYYUFQQG-VULFUBBASA-N 436.487 5.310 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SCC)nnc2-c2cccs2)cc1OCC 1874423517 PNVSIXMASGCPCF-XQNSMLJCSA-N 444.626 5.969 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccccc3F)nnc2-c2ccccc2)cc1 1874428440 IZXQSSWQEQTBCV-WGOQTCKBSA-N 432.524 5.657 30 10 IKEE CCOc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2cc(C)ccc2C)cc1 1874438682 NFXJWTKTCFCIMN-WGOQTCKBSA-N 436.625 6.057 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2[C@H]2CCCO2)c(F)c1 1874450416 BAAWJHYEPYFQOO-SFQCIDFKSA-N 434.899 5.236 30 10 IKEE COc1ccc(OC)c(/C=N/n2c(SCc3ccccc3F)nnc2C2CCCC2)c1 1874455874 OFMKJLBQPSHHSF-AFUMVMLFSA-N 440.544 5.267 30 10 IKEE C=CCSc1nnc(C2CCCC2)n1/N=C/c1ccc(N(CC)Cc2ccccc2)cc1 1874456715 GVOJMKVNEYDVLW-ZXVVBBHZSA-N 445.636 6.123 30 10 IKEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(C)cc3C)nnc2-c2ccco2)cc1 1874469247 VETCCTHIJUHAMD-AFUMVMLFSA-N 445.548 5.076 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1ccc(C(C)C)cc1 1874474954 BLPFJXBKFRLDDV-PCLIKHOPSA-N 435.597 5.357 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2ccc(Cl)cc2)c1C 1874510492 QDGPQQWKVKCURD-WYMPLXKRSA-N 441.988 5.285 30 10 IKEE Cc1ccc(C)c(CSc2nncn2/N=C/c2ccc(OCc3ccccc3C)cc2)c1 1874538703 RXSNXYJXJDJWAV-RWPZCVJISA-N 442.588 5.957 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/n2c(S)nnc2-c2ccco2)c(Cl)c1 1874559772 NOEFLRPAWYVKOW-LFVJCYFKSA-N 447.004 6.492 30 10 IKEE COc1cccc(/C=C/C(=O)c2cccc(Br)c2)c1OCCc1ccccc1 1874575531 RXMWKKNYGFQDSM-BUHFOSPRSA-N 437.333 5.975 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1)c1ccccc1Cl 1874609090 XGHRSVCJIQJNLK-YRNVUSSQSA-N 438.823 5.632 30 10 IKEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3cc(Cl)cc(C)c3OC)cc2)o1 1874633678 PMXSQRHPWXQNCY-UXBLZVDNSA-N 440.879 5.512 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(OC)c1OCc1cccc(C)c1 1874635914 ZYTWAKIMFBICQX-OUKQBFOZSA-N 440.583 7.132 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(Cl)cc3)c2)c1 1874706724 WFKQTISOWSEVRK-XYOKQWHBSA-N 436.891 5.401 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cccc(OC(=O)COc2c(C)cccc2C)c1 1874712996 ALNYWOSNMKMTIV-OUKQBFOZSA-N 444.527 5.809 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)CCCSC)c2)cc1C 1874717920 OYZHVDCKFAQCQG-CSKARUKUSA-N 428.550 5.265 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)cc2OC)c1 1875099060 QWCYMIJTZADKAG-GXDHUFHOSA-N 442.511 5.698 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(C)cc3C)cc2)cc1OC 1875099139 TVZUCQVHIKHIHO-XYOKQWHBSA-N 446.499 5.201 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OC(=O)Cc1cc(C)ccc1C 1875110617 SYVNOYOGTPITLM-ZRDIBKRKSA-N 434.919 6.010 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)cc(Br)c1OC(=O)CC 1875119999 XFNXYNSGPWKVOA-ZHACJKMWSA-N 433.298 5.068 30 10 IKEE O=C(COc1ccc(Cl)cc1)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1 1875122668 GXFKFQHDTUNNDF-LZWSPWQCSA-N 427.283 5.874 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OC)cc3)c(OC)c2)cc1 1875130971 AMHRCPBMCSJHHK-PJQLUOCWSA-N 432.472 5.218 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 1875139901 GXGOALDEVXBTND-OQLLNIDSSA-N 442.555 6.725 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)[C@@H](C)c1ccccc1 1875142567 JFDRHDOVPVQPAX-ATEOEAFZSA-N 432.491 6.138 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cccs3)c([N+](=O)[O-])c2)cc1 1875148668 SDHYVEPTLVXFCA-WUXMJOGZSA-N 449.528 5.998 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OC(=O)Cc1ccc(Cl)cc1 1875163230 AWYGZJNCJIULFJ-ONNFQVAWSA-N 442.845 5.671 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc(OC)c1OC(=O)C(C)C 1875181360 BQHZNSBHVCFNGR-MDZDMXLPSA-N 442.939 5.852 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3)cc2)c(OC)c1OC 1875194457 SVRPKHSIDKQCOZ-LFIBNONCSA-N 446.499 5.147 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@H](CNC(=O)OC(C)(C)C)C1CCCCC1 1922127400 ZJVOJZBJZAWJCP-RPWUZVMVSA-N 430.633 5.459 30 10 IKEE CC(C)(C)OC(=O)NCC[C@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C1 1949137049 YTGSOOUIILHIQH-KOSHJBKYSA-N 435.609 5.533 30 10 IKEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1953290268 SXFPPKCQCKFGDR-NLFFAJNJSA-N 443.588 5.353 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@@]1(C#N)CCCC[C@H]1OCc1ccccc1 1998819219 RKLSJKYHUWEISU-RCZVLFRGSA-N 440.971 6.503 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 2022132639 DASMTYNXPPYSEU-NTKDMRAZSA-N 429.561 5.276 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc([C@@](C)(C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)c1 2027939040 HBFULPYOENECRU-RUZDIDTESA-N 443.588 6.342 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@]1(C#N)CN(Cc2ccccc2)C2(CCCC2)C1 2038664307 CDPXQOQZLIACQT-HHHXNRCGSA-N 437.628 6.037 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Br)ccc1Cl)NCC 2047968260 QBFQUYHVVQHIQP-IAGOWNOFSA-N 431.802 5.093 30 10 IKEE CCCCCCCCC(=O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071346284 SNPFTJSWTXGUEO-UHFFFAOYSA-N 430.588 7.778 30 10 IKEE Cc1ccc([C@@H](C(C)C)n2nc(C(F)F)c(/C=N/O)c2I)cc1C 2079024250 AGTBFXXJFUXSKB-JURJYWISSA-N 447.267 5.096 30 10 IKEE CCc1ccc([C@@H](n2nc(C(C)(C)C)c(C#N)c2I)C(C)(C)C)cc1 2079106031 AITRBQYAARWWAM-GOSISDBHSA-N 449.380 5.855 30 10 IKEE COc1ccc([C@H](C2CCC2)n2nc(C(C)C)c(C#N)c2I)c(C)c1 2079857979 JDJKREWNJVVWAQ-IBGZPJMESA-N 449.336 5.189 30 10 IKEE CCc1nn([C@H](c2ccc(C(F)(F)F)cc2F)C2(C)CC2)c(Br)c1C#N 2079879832 JQFLWSXGESJELM-OAHLLOKOSA-N 430.243 5.627 30 10 IKEE CCCOc1ccc([C@H](n2nc(C(C)C)c(C=NO)c2Br)C(C)(C)C)cc1 2080056236 QMAYCLCIIHVJCJ-IBGZPJMESA-N 436.394 6.001 30 10 IKEE CC[C@@H](c1ccc(OC(C)C)cc1)n1nc(C2(C)CC2)c(C#N)c1I 2080127865 HZIPIHRKNZGDGJ-KRWDZBQOSA-N 449.336 5.197 30 10 IKEE CCCC#CC[C@@H](NCCC)c1ccc(Br)cc1I 2142287066 AUKYDDFNKHOGKG-MRXNPFEDSA-N 434.159 5.288 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@@H]2Nc2cc(Br)cc(C#N)c2)C1 2162311477 WRBLMKFWJPXAGH-RXVVDRJESA-N 434.378 5.302 30 10 IKEE CC(C)(C)OC(=O)N1CCCC12CCC(C#N)(Nc1ccccc1Br)CC2 2167915669 QTWSJCFCRHEAKO-UHFFFAOYSA-N 434.378 5.467 30 10 IKEE CC1(C)C[C@H](CNc2cc(Br)c(C#N)cc2F)CN(C(=O)OC(C)(C)C)C1 2172554988 UDYHNQRKFAESLA-CYBMUJFWSA-N 440.357 5.155 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](Cc2ccc(F)cc2Br)NCCC)C1 2197755513 IXTSUQXIVMILJP-SFHVURJKSA-N 441.385 5.112 30 10 IKEE CCCN[C@H](C#CP(C)(C)=O)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2225398276 QLNJIJQGWZEWGZ-MRXNPFEDSA-N 443.322 5.420 30 10 IKEE C=CCCC[C@H](NCCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237422455 VWFAZOFHAJUUES-VQTJNVASSA-N 439.438 5.609 30 10 IKEE O=C1NC(=Nc2ccc(F)cc2)SC1=Cc1ccc(Sc2nc3ccccc3[nH]2)o1 2293402343 LWDUSPVLVHAFCZ-UHFFFAOYSA-N 436.493 5.338 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@H](C(C)C)N(C)C(=O)OC(C)(C)C 2296287885 AFIXHKVGENDHFX-PMACEKPBSA-N 437.422 5.060 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1 2297465913 GMVRRASQHIYZQN-UHFFFAOYSA-N 434.488 5.196 30 10 IKEE O=C1C(=Cc2c(F)cccc2Cl)SC(=Nc2ccncc2Cl)N1c1ccccc1 2314543034 UEQQMWDYSUYKRA-UHFFFAOYSA-N 444.318 6.336 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc(F)cc1F 2321048140 ANCSNJLIIRGAGX-UHFFFAOYSA-N 427.307 5.600 30 10 IKEE Cc1c(OCc2ccccc2F)ccc2c1OC(=Cc1ccc(Br)cc1)C2=O 2321796517 ZJLHQTQZQAYKPV-UHFFFAOYSA-N 439.280 6.092 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OCc4ccc([N+](=O)[O-])cc4)ccc3C2=O)cc1 2321851228 GDIMZIBIXLDICJ-UHFFFAOYSA-N 444.487 5.636 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc4c(c1)OCO4)O3)CN([C@@H]1CCCC[C@H]1C)CO2 2322153112 HBCCYXDBAPIPAX-DNVCBOLYSA-N 433.504 5.071 30 10 IKEE Cc1cc(OCc2nnc(S)n2N=Cc2c(Cl)cccc2Cl)cc(C)c1Cl 2322234470 AWXAFBFGZZYQJE-UHFFFAOYSA-N 441.771 5.605 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2ccc(C)cc2)cc1C 2322415939 NOEBGSIJYNOWKF-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 2322474734 GXHDXVBXTMBBAO-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE Cc1c(OC(=O)c2ccco2)ccc2c1OC(=Cc1ccc(Br)cc1)C2=O 2322659579 VQTHUQPEQMEVJZ-UHFFFAOYSA-N 425.234 5.186 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2cc(Br)ccc2OCC)cc1 2322758596 PDPOMERIJUTLCH-UHFFFAOYSA-N 445.397 7.093 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2c(C)cc(C)cc2C)c1OCc1ccc(F)cc1 2322948925 UOTNARMCOCFMSO-UHFFFAOYSA-N 438.926 6.888 30 10 IKEE CC(C)COC(=O)COc1cccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)c1 2323240117 FIFJJZIOAXFBFN-UHFFFAOYSA-N 430.500 5.953 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)c(Br)c1OC 2323240166 GUVJJHHXSICGFO-UHFFFAOYSA-N 439.305 6.155 30 10 IKEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)C[C@@H]2CCCC[C@H]2N(C(=O)OC(C)(C)C)C1 2323290553 KOJJPRVPSZDKQK-VVZHRXSXSA-N 442.600 5.088 30 10 IKEE Cc1c(OC(=O)c2ccc(C(F)(F)F)cc2)ccc2c1OC(=Cc1ccncc1)C2=O 2323352552 KXJHXUSQZCKTMG-UHFFFAOYSA-N 425.362 5.244 30 10 IKEE CCOc1cc(C=Nn2c(S)nnc2C(CC)CC)ccc1OCc1ccc(C)cc1 2323485515 RMUDSHXIMBOZSY-UHFFFAOYSA-N 438.597 5.639 30 10 IKEE CCN(Cc1ccccc1)c1ccc(C=Nn2c(S)nnc2COc2ccccc2)cc1 2323557109 AMYLOXPPDGHRKR-UHFFFAOYSA-N 443.576 5.055 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2)c(Cl)c1)c1ccc(Br)cc1 2323582843 VFWJIPGYVFMGKF-UHFFFAOYSA-N 427.725 6.578 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(Cl)c(OCCO)c(OC)c2)cc1OCCC 2323743235 GLGXWYAPQMNZQC-UHFFFAOYSA-N 448.943 5.193 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OCc3cccc(F)c3)c(Br)c2)ccc1F 2323972049 GCXRANRETPOAFJ-UHFFFAOYSA-N 443.287 6.511 30 10 IKEE CN(Cc1c(O)ccc2c1OC(=Cc1ccc(Cl)cc1Cl)C2=O)C1CCCCC1 2324074559 LPMGLKDSFBBUGV-UHFFFAOYSA-N 432.347 6.080 30 10 IKEE CCOc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccc(F)cc4)ccc3C2=O)cc1 2324305840 RRBNSOCJZZJSBA-INIZCTEOSA-N 447.462 5.247 30 10 IKEE Cc1ccc(OCCCCOc2ccc3c(c2C)OC(=Cc2ccccc2Cl)C3=O)cc1 2324589049 ZIZUTDGEDZLEGB-UHFFFAOYSA-N 448.946 6.811 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(OCC)cc3)c2)cc1 2325711470 SMNNNHSFIGCEJB-UHFFFAOYSA-N 428.528 6.543 30 10 IKEE CC(C)c1ccccc1NC(=O)COc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O 2325726022 QIVBTLXQTKPXLP-UHFFFAOYSA-N 431.463 5.583 30 10 IKEE CCCc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc(OCC)cc3)c2)cc1 2325734804 VPHGYSVNTWPMRZ-UHFFFAOYSA-N 444.527 5.918 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1OC(=O)c1ccccc1Cl 2325746675 DJJWDXPOJUGWRN-UHFFFAOYSA-N 436.847 5.193 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccccc3C)c2)c(OCC)c1 2325762852 RMQZEGYIBDMSRG-UHFFFAOYSA-N 430.500 5.908 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc1OC(=O)c1ccncc1 2325763179 MGQRUFPCTFLCAE-UHFFFAOYSA-N 437.879 5.176 30 10 IKEE C=C(C)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccc(C(C)C)cc1 2327861081 WFLXJZHMJOLLSV-HXUWFJFHSA-N 439.629 5.066 30 10 IKEE CCCCC1CCC(c2nnc(SCC)n2N=Cc2cccc(OC)c2OCC)CC1 2328150946 HSBMLEUGNIYCCB-UHFFFAOYSA-N 444.645 6.144 30 10 IKEE COc1ccc(CCc2nnc(SCc3ccccc3C)n2N=Cc2ccco2)cc1 2328571783 WVPOZFYUCGEQIW-UHFFFAOYSA-N 432.549 5.148 30 10 IKEE Cc1ccc(OCc2nnc(SCCc3ccccc3)n2N=Cc2cccn2C)c(C)c1 2328902914 ATAKCMVNJSKTKD-UHFFFAOYSA-N 445.592 5.029 30 10 IKEE Cc1ccc(C)c(CSc2nnc(COCc3ccccc3)n2N=Cc2cccs2)c1 2329342947 RRCYLAJXOXXJMH-UHFFFAOYSA-N 448.617 5.848 30 10 IKEE CCCSc1nnc(COc2ccccc2)n1N=Cc1cccc(Br)c1 2329920762 MMEQJVAJZKBIQA-UHFFFAOYSA-N 431.359 5.004 30 10 IKEE C=C(C)CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1ccc(OCCCC)cc1 2330101807 VUHIWVAANMTSDR-HXUWFJFHSA-N 434.609 6.159 30 10 IKEE CCCSc1nnc(-c2cccs2)n1N=Cc1ccc(OCc2ccccc2)cc1 2330592709 BIOZSWCMHVAUPE-UHFFFAOYSA-N 434.590 5.970 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2cccc(C)c2)nnc1[C@H]1CCCO1 2330920453 UCJMRMIYNZOZEQ-JOCHJYFZSA-N 434.565 5.177 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cccc(Br)c3)cc2)cc1 2330994550 QPVBBMSLKDJVES-UHFFFAOYSA-N 435.317 6.127 30 10 IKEE O=C(O)c1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CCCC2)cc1 2331086552 KSWUVYYHYITDLS-UHFFFAOYSA-N 440.956 5.462 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2ccccc2F)nnc1C(F)(F)F 2331136425 ZHPSPOFYQTVDJL-UHFFFAOYSA-N 438.450 5.399 30 10 IKEE O=[N+]([O-])c1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C(F)(F)F)cc1 2331154756 VPJOUGMNNZNFET-UHFFFAOYSA-N 441.822 5.033 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2[N+](=O)[O-])cc1 2331170174 BSJOCGCMLADIJU-UHFFFAOYSA-N 431.444 5.038 30 10 IKEE C=C(C)CSc1nnc(-c2ccco2)n1N=Cc1ccc(OCc2ccccc2C)cc1 2331201566 JAIWKXXNDOMYKT-UHFFFAOYSA-N 444.560 5.976 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)cc2)c1 2331315941 JWUFGOBEGFESMT-QFIPXVFZSA-N 442.555 6.696 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)c3cccc4ccccc34)c(Cl)c2)c1 2331319815 OGSXEPMIOPFOSQ-UHFFFAOYSA-N 440.926 7.225 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)c(F)c3)c([N+](=O)[O-])c2)ccc1F 2331340239 WMMXKOYUJOWRFB-UHFFFAOYSA-N 441.361 5.436 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2OC)cc(OC)c1OC(=O)c1cccnc1 2331375991 BVMLVVTWPUSTBU-UHFFFAOYSA-N 443.499 5.251 30 10 IKEE C=CCSc1nnc(C(C)(C)C)n1N=Cc1ccccc1OCc1ccccc1Cl 2331399758 UOWVXSSAPSJPCN-UHFFFAOYSA-N 441.000 5.968 30 10 IKEE CCc1ccc(C=Nn2c(CC(C)C)nnc2SCc2ccc(Cl)c(Cl)c2)cc1 2331471226 YKLKRIYJHZCUHU-UHFFFAOYSA-N 447.435 6.520 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(SCc2ccccc2Cl)nnc1C1CCC1 2331527768 WJCOZMYNEITSAN-UHFFFAOYSA-N 441.000 6.161 30 10 IKEE Clc1ccc(CSc2nnc(C3CCC3)n2N=Cc2ccc3c(c2)OCCO3)cc1 2331539282 HWUUPGXDSAAHRK-UHFFFAOYSA-N 440.956 5.145 30 10 IKEE O=[N+]([O-])c1ccccc1C=Nn1c(SCc2ccc(Cl)cc2)nnc1C1CCC1 2331539340 QNHYTAKFBOSYJZ-UHFFFAOYSA-N 427.917 5.282 30 10 IKEE CCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1cccc2ccccc12 2331640765 YYNKBTNFSREUNP-UHFFFAOYSA-N 431.521 5.467 30 10 IKEE COc1cc(C(=O)C=Cc2ccc(OC(=O)C3CCCC3)c(OC)c2)c(OC)cc1Cl 2331695327 OZKYOHFELKEJBI-UHFFFAOYSA-N 444.911 5.358 30 10 IKEE C=CCSc1nnc(C(C)C)n1N=Cc1cccc(OC)c1OCc1cccc(C)c1 2331704677 SZKLSMJHRJRCNT-UHFFFAOYSA-N 436.581 5.458 30 10 IKEE CC(C)C[C@@H](COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339592411 PQCFLGSUQUCENZ-IBGZPJMESA-N 446.397 5.044 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](N)c1c(C)c(C)c(Br)c(C)c1C 2345964602 WOGXIDGLHRORGW-LPHOPBHVSA-N 425.411 5.542 30 10 IKEE C[C@H]1CCC[C@H](SCc2ccc(B3OC(C)(C)C(C)(C)O3)c(Br)c2)C1 2349835570 XEWBBIHRLVQNFA-HOCLYGCPSA-N 425.241 5.560 30 10 IKEE CCOc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)cn1 2363294219 NYHHJHCWMJGHLQ-QGZVFWFLSA-N 432.318 5.249 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@@H](C#N)c1c(Cl)ccc(Cl)c1Cl 2364580554 SUQNJXWCRVCIFP-HNNXBMFYSA-N 446.161 7.307 30 10 IKEE CC(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@H]3c2cccnc2)cc1 17098993 NSRVIXAUPIXADV-ZBLYBZFDSA-N 434.543 5.970 30 10 IKEE Cc1ccc(-n2nc(C)c3c2NC2=C(C(=O)CC(C)(C)C2)[C@@H]3c2cccc(Cl)c2)cc1 18196670 LCNYUJAGWVECER-HSZRJFAPSA-N 431.967 6.343 30 10 IKEE COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2[N+](=O)[O-])c1 21225303 XPQWYQKWEFHHNF-MRDQGFSESA-N 441.487 5.583 30 10 IKEE CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(-c3ccccc3)cc2)cc1 21249809 ZEQXHWJUCUWZNM-RSXGOPAZSA-N 449.594 6.655 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)cc1)c1cc2ccccc2o1 33370845 RBQXMOPPOJIJKV-QFIPXVFZSA-N 444.874 5.260 30 10 IKEE COc1cc([C@@H]2c3sc(O)nc3SC[C@@H]2C=O)ccc1OCc1cccc(Cl)c1 35531328 VNUPFPYZJDDZSF-KSSFIOAISA-N 447.965 5.142 30 10 IKEE C=CCOc1ccc([C@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2CCCCC)cc1 38705217 HVRYVLGITORQGY-SANMLTNESA-N 445.563 5.699 30 10 IKEE C=CCc1ccccc1OCc1nc2ccccc2n1CCCOc1ccc2ccccc2c1 39907117 NJYABTBEOVUHHA-UHFFFAOYSA-N 448.566 6.966 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccc(Cl)cc1 40095773 HANXNUMQKBIQGT-LHSJRXKWSA-N 425.912 5.042 30 10 IKEE C=CCc1ccc(OCCCCn2c(-c3ccc(F)cc3)nc3ccccc32)c(OC)c1 40249699 DSFCDUXMKXLPDZ-UHFFFAOYSA-N 430.523 6.439 30 10 IKEE Cc1cccnc1NC(=O)c1oc2c(c1C)/C(=N/Nc1cccc(C(F)(F)F)c1)CCC2 40823969 GMLWBYINRPTHSA-OCSSWDANSA-N 442.441 5.715 30 10 IKEE CC(=O)/C(=N\Nc1ccc(C)cc1)Sc1ncc(-c2ccccc2)n1-c1ccccc1 59121440 JKGMDLYOIVIYLA-ZZIIXHQDSA-N 426.545 5.954 30 10 IKEE CCc1ccc([C@@H]2C3=C(CCCC3=O)Nc3c(C(=O)Nc4ccc(C)c(C)c4)cnn32)cc1 64775579 RODDNCFYMOJUOJ-RUZDIDTESA-N 440.547 5.337 30 10 IKEE CCCCCCCOc1cccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)c1 100246629 DTVRVSKKAHQAEC-UHFFFAOYSA-N 426.626 6.460 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2 100358843 LMUCTJPXITUQHT-OSWQYVSFSA-N 430.419 8.169 30 10 IKEE CCCCCCCCCCCCn1c(CCCCCNC(=O)CCC)nc2ccccc21 102163322 YPGRQSJIAGIZAD-UHFFFAOYSA-N 441.704 7.586 30 10 IKEE CCCCCCCCCCCC(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C(C)(C)C)C2 105340580 YKXMMGIRNIJJKK-GOSISDBHSA-N 434.690 6.857 30 10 IKEE COc1ccc(N2C(=O)N[C@@](c3ccccc3)(C(F)(F)F)S/C2=N/C(C)(C)C)cc1 105915530 SAZVCVPUFLNCES-AHDHHBBCSA-N 437.487 5.528 30 10 IKEE CCCN1C(=S)N[C@@H](c2ccc(OC(C)C)c(OC)c2)C(C(=O)c2ccccc2)=C1C 169928760 UAEAVKFFWRXUQE-QHCPKHFHSA-N 438.593 5.281 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccc(O)cc2)cc1C 169960303 NIOZXLNERDBEPG-RUZDIDTESA-N 427.500 5.111 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2ccc(F)c(F)c2)c1 169968226 NTKZQGJQLHSTOZ-HSZRJFAPSA-N 444.437 5.537 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc(C)c1 169970611 SIOUISNVFVRLPI-AREMUKBSSA-N 449.506 5.940 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2ccccc2)c1 170036364 XKISFJQLMVEZSS-AREMUKBSSA-N 449.506 6.021 30 10 IKEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccco2)cc1 170097086 XCRAUUPJPLSYMG-OAQYLSRUSA-N 437.879 5.110 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)o1 170101768 AKOMJGRKRPTRPP-HXUWFJFHSA-N 442.298 5.986 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2ccccc2C)c1 170142961 NVQUOTBZKJXXNF-IQGLISFBSA-N 439.511 5.410 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@@H]3c3cccc(C)c3)oc12 170144063 ZFYQFQSBEARULJ-JOCHJYFZSA-N 443.455 5.121 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@@H]1c1ccc(C(C)(C)C)cc1 170149771 GFPGNXVBHFJELL-QHCPKHFHSA-N 449.591 5.988 30 10 IKEE Cc1ccc(C2=C(Nc3cccc4ccccc34)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1C 170153602 AGBYGMQCUZNDPW-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE Cc1sc(C2=C(N)N(c3ccc(Nc4ccccc4)cc3)CC2=O)nc1-c1ccccc1 170181315 BMPSLIQGQVFWHN-UHFFFAOYSA-N 438.556 5.579 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccnc2)ccc1OC(C)C 170184976 UPMYYOZCHUVHHL-HSZRJFAPSA-N 446.478 5.099 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2cccnc2)c(C)c1 170190381 GIIJNIXAQAYEIJ-VWLOTQADSA-N 434.495 5.635 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccncc1)c1cc2cc(Cl)ccc2o1 170203534 ANNBEOUZMHXASV-OAQYLSRUSA-N 430.847 5.264 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccccc2)cc1 170228152 CQSOQMIJNVNZAF-XMMPIXPASA-N 427.500 5.485 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccc(F)cc2)cc1 170238936 KKCYIVOKLJQGCT-DEOSSOPVSA-N 445.490 5.706 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2F)c(C)c1 170248085 XRYBCIHKSUEIHI-QFIPXVFZSA-N 435.426 5.065 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccc(O)c2)cc1C 170259964 FVCXFMGFVSWMGO-DEOSSOPVSA-N 443.499 5.191 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2C)cc1C 170274203 IIYJWUJSPBLDJT-DEOSSOPVSA-N 445.515 5.464 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@@H]1c1c(C)[nH]c2ccccc12 170312087 QRYATCLGSPJZLW-NRFANRHFSA-N 438.911 5.127 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2sccc2C)cc1C 170317613 DKRWEPCWSRWKMF-HXUWFJFHSA-N 425.550 5.285 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Oc3ccccc3)cc2)[C@@H]1c1ccco1)c1cccs1 170400717 WEPDPKIBRSGBOT-JOCHJYFZSA-N 443.480 5.916 30 10 IKEE Cc1[nH]c2ccccc2c1[C@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1Cc1ccc(F)cc1 170424861 DPGBPNAAPAMQMI-DEOSSOPVSA-N 440.474 5.394 30 10 IKEE O=[N+]([O-])c1cccc(C=Nn2cc(-c3ccccc3)nc2N=Cc2cc(Cl)ccc2O)c1 252626225 QYSXCIYVRRBUSS-UHFFFAOYSA-N 445.866 5.450 30 10 IKEE CCOc1ccc(N=C2S/C(=C\c3ccc(OCC)cc3OCC)C(=O)N2CC)cc1 252635528 WXWAAZQLYYRCHU-IBORXNHRSA-N 440.565 5.507 30 10 IKEE CSc1nnc(C(F)F)n1N=Cc1ccc(COc2ccc(Cl)c(Cl)c2)o1 254710747 GRPWGWOYMSKWNZ-UHFFFAOYSA-N 433.267 5.299 30 10 IKEE CCOc1ccc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1OCC 526517001 QVVFEOXIQRRPDP-QHCPKHFHSA-N 446.528 5.474 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(Sc3ccccc3)C2=O)c(C)c1 526659597 WCQOAZJGFILIEO-UHFFFAOYSA-N 425.513 5.164 30 10 IKEE Clc1cccc(CSc2nncn2/N=C\c2c(Cl)ccc(Cl)c2Cl)c1 526811890 CIEDBGNUPUKKHE-HOEBFWFUSA-N 432.163 6.066 30 10 IKEE CCOc1ccc(/C=N\n2cnnc2SCc2ccc(Cl)c(Cl)c2)cc1OC 526812940 RWPBVBRTYVZANF-RMORIDSASA-N 437.352 5.167 30 10 IKEE Clc1cccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2cccnc2)c1 526813150 WYWZWVBNRRKJKE-QQXSKIMKSA-N 433.968 5.286 30 10 IKEE Cc1ccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccccc2Cl)o1 526816958 LZVUXODLISJOKY-MYYYXRDXSA-N 436.968 5.793 30 10 IKEE CCCCCOc1ccc(/C=N\n2c(CCC)nnc2SCc2ccc(C#N)cc2)cc1 526821910 AMWAKIGTIPMHLE-IMRQLAEWSA-N 447.608 5.846 30 10 IKEE C=CCCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(CCCCCC)cc1 586230278 CEKKMNKAZWYMOR-UHFFFAOYSA-N 439.543 6.600 30 10 IKEE C=C(C)CN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccc(CCCCCC)cc1 586233856 QCPWCBJOEXYLRA-UHFFFAOYSA-N 429.582 5.367 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C1 698908124 GULKCNKCLBWYHH-KSFYIVLOSA-N 435.590 5.024 30 10 IKEE Cc1sc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)cc1Br 698972660 QCCCJJJDSNFBDG-OAHLLOKOSA-N 425.323 5.965 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c1cccc(F)c1)C2 709362119 HHFCWTAHUJELQJ-TVVUZDRGSA-N 445.535 5.249 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@](C)(C#N)c1ccc(Br)cc1F 710757928 KAKCKMLQFXSYHI-NRFANRHFSA-N 433.321 5.764 30 10 IKEE CC(C)c1ccc(C=NNP2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)cc1 886014697 YJWYVTARSZYTHP-UHFFFAOYSA-N 428.472 7.039 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc3c(OC(=O)Nc4cccc(Cl)n4)cccc23)c1 1858780002 KAZPGMMFDWZQME-UHFFFAOYSA-N 442.862 5.623 30 10 IKEE N#Cc1cccc(C(=O)Oc2cccc3c(NC(=O)c4cccc([N+](=O)[O-])c4)cccc23)c1 1858926065 UDHUJRMLCKMNBM-UHFFFAOYSA-N 437.411 5.091 30 10 IKEE CC(C)N(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cn1 1859894949 SQRXAENGAGWTAT-UHFFFAOYSA-N 444.297 6.193 30 10 IKEE CCCCCCCCNC(=O)[C@H](CC)NC(=O)c1ccc2nc(Cc3ccccc3)[nH]c2c1 1860970698 REKDJGUBQOIOKC-QFIPXVFZSA-N 448.611 5.139 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(OCCC)c(C)c1 1860988834 YCHLZIKUYNAEHT-DEOSSOPVSA-N 444.660 5.574 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccc(C)cc2)cc1OCCC 1862424744 HJLPIWTUMDFDCC-DEOSSOPVSA-N 449.547 5.313 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2CCC(C)C)cc1 1862458851 WTDXGUDGVKQMJI-OAQYLSRUSA-N 431.454 5.291 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccc(Cl)c2)cc1 1862474288 MHSYRNSWXNFAOS-DEOSSOPVSA-N 445.946 5.989 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862476455 AHAPOYNQOHXTCL-SANMLTNESA-N 439.555 6.205 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc(Cl)c2)cc1 1862476629 MQOWOULGSLTZST-QHCPKHFHSA-N 431.919 5.735 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2cc(Br)ccc2F)c1 1862497060 APRVRSNZNKOVHD-IBGZPJMESA-N 446.316 5.192 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(CC)cc2)cc1 1862529165 CBCBUKBMGOEPGM-RUZDIDTESA-N 425.528 5.590 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(OC)cc3)[C@@H]2c2cccc(F)c2)cc1 1862530198 OHOJTSNEVSUZDV-XMMPIXPASA-N 445.490 5.175 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2cccc(C)c2)cc1 1862534453 UCSIMXURJMFZSY-RUZDIDTESA-N 425.528 5.644 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(OC)cc1 1862557962 RVZSBELBNVRTQB-NFBKMPQASA-N 436.552 5.215 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(O)c2)=C(O)C(=O)N1C12CC3CC(CC(C3)C1)C2 1862589990 YGNURFVUEBSFKF-GETQMSEISA-N 443.543 5.248 30 10 IKEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1cccc2ccccc12 1862620374 QRDDNOTXBLRHKG-DEOSSOPVSA-N 443.543 5.362 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc12 1862653558 FHJNSPWDUQVQBH-HSZRJFAPSA-N 442.471 5.269 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)c1 1862660063 GXOBAAXZKYSXIV-RXFWQSSRSA-N 439.555 6.458 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(F)c2)cc1 1862672990 JKTVRBTZTWSMSX-UPCLLVRISA-N 447.481 5.867 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862678112 OGASFDFVJWZOJV-BSDZUQITSA-N 449.566 6.280 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(C(=O)OC)cc1 1862720261 ULEOPSHKAVTLBU-QHCPKHFHSA-N 443.499 5.005 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1 1862887882 LPQPGIZDKZVCEG-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Cl)c(C(F)(F)F)c2)=C(c2ccc(C)c(C)c2)C1=O 1863245377 KHCNBYPKCWFBIW-UHFFFAOYSA-N 434.845 5.354 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Cl)c(C(F)(F)F)c2)=C(c2cc(C)ccc2C)C1=O 1863393445 WWNHKSMJQUICOY-UHFFFAOYSA-N 434.845 5.354 30 10 IKEE CCCCCCCCNC1=C(c2ccc(F)cc2)C(=O)N(CCc2cccs2)C1=O 1863509153 GLTLEELYIWECMR-UHFFFAOYSA-N 428.573 5.160 30 10 IKEE CCCCCCCCNC1=C(c2ccc(C)c(C)c2)C(=O)N(Cc2ccccc2F)C1=O 1863604966 WRQQRNTXVBAAFU-UHFFFAOYSA-N 436.571 5.673 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3nc[nH]c3[C@@H]2C(C)C)nc(-c2ccccc2C)n1 1869158768 MBJIFXXEAKCPHS-VWLOTQADSA-N 428.584 5.113 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC[C@@H]2Cc2ccc(Cl)cc2)nc(-c2cccnc2)n1 1869362792 QYBQIOBFZUNZFW-HSZRJFAPSA-N 445.998 5.582 30 10 IKEE CCn1cc(OCCCc2ccccc2)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870192777 VYNKFOIZDXHCRW-UHFFFAOYSA-N 447.604 5.364 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(C)cc2)c(CN2C[C@@H](C)C[C@H](C)C2)cc1=O 1870416942 WMBPFWBHYKOOJD-ZEQRLZLVSA-N 438.656 6.032 30 10 IKEE C=CCOc1cn(C[C@@H](O)c2ccc(Cl)cc2)c(CNc2ccc(C)c(C)c2)cc1=O 1870812334 BUHKYVOCNVKOAT-XMMPIXPASA-N 438.955 5.029 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccco1)O3)CN(C(c1ccccc1)c1ccccc1)CO2 1871351303 TUWSQMNAILRIRB-XYGWBWBKSA-N 449.506 6.146 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(C(C)(C)C)cc1)C3=O)CN(CCCCCO)CO2 1871353372 OGXPTPDSPSAEMY-UCQKPKSFSA-N 435.564 5.223 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3c(cc4c(c3C)OCN(C3CCCCCC3)C4)C2=O)c1 1871353591 UTGYPASKCLRPFP-OYKKKHCWSA-N 449.547 5.503 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OC(=O)/C(Cl)=C/c4ccccc4)c3C)C2=O)cc1 1871377677 YDZSSZCMPXFZBA-XTEBFAGPSA-N 444.914 6.359 30 10 IKEE COc1ccc(OC)c(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2sccc2C)C3=O)c1 1871380419 NJRZSYJINAHQRK-JITYZZLESA-N 448.496 5.309 30 10 IKEE CC(C)OC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871404326 IGNSSZLCMFHDHM-XAABERSQSA-N 440.495 6.003 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccc(F)c(F)c4)c3C)C2=O)cc1 1871442657 BWWCDMUHWCCSEM-JJFYIABZSA-N 435.426 5.215 30 10 IKEE Cc1c(OCC(=O)Nc2ccccc2Cl)ccc2c1O/C(=C\c1cccs1)C2=O 1871455707 VMCPJBWHFMYLSH-ODLFYWEKSA-N 425.893 5.344 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4cccc(Cl)c4)c3C)C2=O)c1 1871455851 YTZBWRQNKREEJU-UUYOSTAYSA-N 433.891 5.591 30 10 IKEE Cc1cc(C)c(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2F)C3=O)c(C)c1 1871458464 KCCPJPZXFOAMQL-FMCGGJTJSA-N 445.490 5.693 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccc(C)c(C)c4)c3C)C2=O)cc1 1871459588 RMJSKOXDJNLPMX-OYKKKHCWSA-N 443.499 5.254 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1cc(C)ccc1C 1871991768 BUDYLUJLIDSMQA-HSZRJFAPSA-N 442.625 5.294 30 10 IKEE C=C(C)CN([C@H](C)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1872432621 KIZLIUKARPPNTI-QGZVFWFLSA-N 434.989 5.057 30 10 IKEE C=CCN([C@H](CC)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872499989 VSQQWGCOHXQZQN-OAQYLSRUSA-N 449.016 5.168 30 10 IKEE COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1OC 1872759611 ULXPNDABHHHCIX-OAQYLSRUSA-N 440.524 5.984 30 10 IKEE COC(=O)c1ccc(NC(=O)c2ccc(CSc3nc(C)c(C)c(C)c3C#N)cc2)cc1 1872895505 YKHHVWSMIKVRJN-UHFFFAOYSA-N 445.544 5.210 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H](C)CC)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873087232 NPJJVBXHQIJTSS-OAQYLSRUSA-N 432.608 6.182 30 10 IKEE CCCCCCCCN1C(=O)C(NC2CCCCCCC2)=C(c2ccc(F)c(C)c2)C1=O 1873152488 GMTYIBIAKZVUPA-UHFFFAOYSA-N 442.619 6.277 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(OCC)cc2)=C(c2ccccc2C)C1=O 1873305619 MXMSEMRHWZJKFY-UHFFFAOYSA-N 434.580 5.946 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(Cl)c2)cc2c(NCc3cccc(C)c3)ncnc21 1873617354 LINZJVWGRATWJC-UHFFFAOYSA-N 431.927 5.444 30 10 IKEE C=CCn1c(C(=O)Nc2cc(Cl)ccc2C)cc2c(NCc3ccccc3C)ncnc21 1873619100 YFOCZYKNCXBAGI-UHFFFAOYSA-N 445.954 5.752 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc3n[nH]cc3c1)n2C 1873628959 CLWJCVUOXCIPDB-UHFFFAOYSA-N 447.587 5.650 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2F)n1/N=C/c1ccccc1O 1874362665 QAIVVPXIKXDVDQ-JVWAILMASA-N 446.551 5.391 30 10 IKEE CCc1ccc(/C=N/n2c(CCc3cccs3)nnc2SCc2cccc(C)c2)cc1 1874370108 IQYAUSRBUJHVMQ-YZSQISJMSA-N 446.645 6.170 30 10 IKEE C=C(C)CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1cccc(Br)c1 1874395891 XVWXTWPVJQRMBF-OHHQFBAHSA-N 441.398 5.743 30 10 IKEE C=CCSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874399637 AUBWLSGEVHNRFQ-KOUDTOEKSA-N 427.917 5.152 30 10 IKEE COc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2cccc(C)c2)cc1OC 1874437656 MRRMTJSXYPOBLQ-MFKUBSTISA-N 438.597 5.367 30 10 IKEE CC(C)(C)Cc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1cccc(O)c1 1874442182 VMEIPZIPXSKRFM-WYMPLXKRSA-N 432.952 5.539 30 10 IKEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3C)nnc2C2CCCC2)cc1 1874454153 CMCGMZZMRATPRT-WGOQTCKBSA-N 447.608 5.420 30 10 IKEE Fc1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccco1 1874468578 OGZJOZNAOITUJS-BHGWPJFGSA-N 447.322 6.159 30 10 IKEE CCc1ccc(/C=N/n2c(CCOC)nnc2SCc2ccc(Cl)c(Cl)c2)cc1 1874474885 XRXSEULKIKXZPV-ZMOGYAJESA-N 449.407 5.511 30 10 IKEE COc1cc(/C=N/n2c(SCCc3ccccc3)nnc2C2CCC2)cc(Cl)c1O 1874496152 XFDGHWNVXMHFAA-ZVHZXABRSA-N 442.972 5.130 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCC3)n2/N=C/c2cn(C)c3ccccc23)c1 1874496175 YFEHUMQEQJSMAQ-VULFUBBASA-N 429.593 5.829 30 10 IKEE Cc1cc(OCc2nnc(S)n2/N=C/c2ccc(Cl)cc2Cl)cc(C)c1Cl 1874568960 ZRQIWWUVGUQCHX-GZIVZEMBSA-N 441.771 5.605 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(Cl)cc1 1874578323 HUDIUBAZMSSIEL-YRNVUSSQSA-N 434.363 5.917 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Br)ccc2OCc2cc(C)ccc2C)cc1 1874579316 IHFMUJRCFJDUMO-ZRDIBKRKSA-N 435.361 6.849 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Br)ccc2OCc2ccc(F)cc2)cc1C 1874588421 LNLREJMXZWTXCU-YRNVUSSQSA-N 439.324 6.680 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccc2c(c1)CCCC2 1874593041 OUICXHKLRZLQMI-MDWZMJQESA-N 437.366 7.347 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OCc1cccc(Cl)c1 1874603214 PQJNBUWRFQIECG-UKTHLTGXSA-N 432.947 6.703 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3C)cc2)cc1 1874606630 YCCSSIUPEWXFRI-XMHGGMMESA-N 427.544 6.251 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3ccccc3)c(OC)c2)c(C)c1C 1874626822 YKBHYELIYMKEFK-ACCUITESSA-N 432.516 5.804 30 10 IKEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1OC 1874627897 BOWSSMKZPFVGCN-OQLLNIDSSA-N 446.499 5.716 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)cc1C 1874631724 QXGNUAFSGHCLPM-NYYWCZLTSA-N 437.898 6.010 30 10 IKEE O=C(Oc1cccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1)c1cccc(Cl)c1 1874695873 WPAREVXZXDVFRM-JXMROGBWSA-N 431.702 6.762 30 10 IKEE Cc1ccsc1C(=O)Oc1cccc(/C=C/C(=O)c2cccc(Br)c2)c1 1874697886 PTBFRFXPAQICLN-CMDGGOBGSA-N 427.319 5.934 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OC(=O)C12CC3CC(CC(C3)C1)C2 1874698529 ASRGBCLWTLMSBS-VQHVLOKHSA-N 446.543 5.722 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccncc3)c2)cc1OCCC 1874700060 ZPHUUWOWHAEFLR-CSKARUKUSA-N 445.515 5.775 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OC(=O)CCc3ccccc3OC)c2)c1 1874706442 IHQWUYWWBBSYKA-SDNWHVSQSA-N 446.499 5.147 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OC(=O)C34CC5CC(CC(C5)C3)C4)c2)c1 1874706492 KVJJPLFLWNGOMS-SOFGYWHQSA-N 446.543 5.722 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1OC(=O)c1cncc(C)c1 1874711431 ZSVUKECVTGVBRZ-SOFGYWHQSA-N 431.488 5.139 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 1874713134 HWEHBWYIJQLLSR-DHZHZOJOSA-N 445.471 5.644 30 10 IKEE CCOc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c(Cl)c3)c2)cc1 1874716675 CWDUBRVTPVWAKO-NTUHNPAUSA-N 436.891 5.863 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Br)c(OC(=O)C(C)(C)C)c(OC)c2)cc1 1875112997 PYSLVQBESPGHOB-IZZDOVSWSA-N 447.325 5.314 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc(Br)c3)cc2)c1 1875114865 ZSPLTPYYPPVDDP-JLHYYAGUSA-N 437.289 5.573 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)c(F)c2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 1875116464 CJYMFCWNHYDMEH-XLUWADSXSA-N 443.789 5.642 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 1875120418 SMMNDUMTBBOQSI-MHWRWJLKSA-N 444.527 6.117 30 10 IKEE COc1ccc(C(=O)Oc2c(OC)cc(/C=C/C(=O)c3ccc(C)cc3)cc2OC)cc1 1875133045 AZTVTMJOQACJQP-VGOFMYFVSA-N 432.472 5.136 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)cc3)c(Cl)c2)cc1 1875137542 RILYLFCCSXFNEK-MKMNVTDBSA-N 434.919 6.553 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)c1cccc(C)c1 1875166955 WLUDLFXETZZAMG-FMIVXFBMSA-N 430.500 5.744 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)Cc1ccc(F)cc1 1875183580 IPFZUUMGCYUMST-XYOKQWHBSA-N 446.518 6.194 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C)NCC 1922117362 ZKQNRANEOBQLDC-UCBGAZFYSA-N 428.617 5.306 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1C[C@@H](CC)CCN1C(=O)OC(C)(C)C 1922118696 JXWVTXIRSQSVFI-QTJGBDASSA-N 430.633 5.553 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)[C@@H]2CCC[C@@H]21 1926546944 WDMFEEUIYKQVLW-YLNUKYHNSA-N 445.535 5.249 30 10 IKEE CCCCCCCC[C@H](O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997449502 SXODUQKYHDBQKF-OZXSUGGESA-N 433.633 5.942 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@](C)(C#N)c1ccc(CNC(=O)OC(C)(C)C)cc1 2014219267 ZUMPWIXBMKCGPK-XDHUDOTRSA-N 431.577 5.486 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)[C@H]1CCSC1(C)C 2033644454 AUKJNICKNFBAIV-HZPDHXFCSA-N 425.392 5.614 30 10 IKEE CCN[C@@H](CC#CC1CCCCC1)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2035464737 HVUORYVKJMVFMJ-DQEYMECFSA-N 442.644 5.439 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)c(Br)c(Cl)c1 2060546890 UKQXVYQQJCSZAU-CYBMUJFWSA-N 435.721 5.040 30 10 IKEE 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)c1ccccc1)C2 2070482066 DPDDKWRQCCKCKN-YBJWPOLQSA-N 445.535 5.200 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NC)c2c(Br)ccc(Cl)c2F)C1 2077082783 NGABVCLEWMFVOL-HNNXBMFYSA-N 433.749 5.116 30 10 IKEE Fc1cccc(C(F)(F)F)c1-n1nc(C2CCC2)c(Br)c1C(F)(F)F 2079006440 YXSOZYRNMSLNMD-UHFFFAOYSA-N 431.149 6.079 30 10 IKEE CC[C@@H](c1ccc(C2CC2)cc1)n1nc(C(F)F)c(/C=N/O)c1I 2079098626 FDPUQAIAHBBSFX-SLSPDHCBSA-N 445.251 5.110 30 10 IKEE CC(C)(C)[C@@H](c1ccc(C(F)(F)F)cc1)n1nc(C(F)(F)F)c(C=NO)c1Cl 2079932500 MBDROZBAMZZIKG-CYBMUJFWSA-N 427.776 6.018 30 10 IKEE CC1(C)OB(c2ccc(CN(Cc3ccccc3)CC3CCCCC3)c(F)c2)OC1(C)C 2095822409 YZJLBJGOWBXOEI-UHFFFAOYSA-N 437.408 5.707 30 10 IKEE CN(Cc1cccc(NC(=O)OC(C)(C)C)c1)c1cc(Br)c(C#N)cc1F 2174813457 WNKKBOMHTWSTSW-UHFFFAOYSA-N 434.309 5.443 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CC[C@]2(CCCOC2)C1 2185133240 MEQJMKSPZKNLSO-RTWAWAEBSA-N 435.362 5.434 30 10 IKEE CC1(C)OB([C@]23C[C@@H]2CCN(Cc2ccc(Cl)c(Br)c2F)C3)OC1(C)C 2194187550 YWCQCPWAXVNWNP-DJJJIMSYSA-N 444.581 5.300 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@H](CSC(C)(C)C)NC(=O)OC(C)(C)C 2212713562 MLBMEJIWKXOKHM-SFTDATJTSA-N 436.662 5.163 30 10 IKEE CC1(C)CC=C(C(=O)[C@@H](Cc2ccccc2Br)NC(=O)OC(C)(C)C)CC1 2237427769 CSGLRGXYMOSUIY-GOSISDBHSA-N 436.390 5.591 30 10 IKEE CC[C@H](C)N(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2243383901 FZRJPXSBMQKJEZ-HNNXBMFYSA-N 433.810 5.142 30 10 IKEE C=CCCC1([C@@H](C[C@@H](C)COCc2ccccc2)NCCC)CN(C(=O)OC(C)(C)C)C1 2254998290 DOSXOKSMFZKMPP-ISKFKSNPSA-N 444.660 5.801 30 10 IKEE C=CCCC1([C@@H](O)Cc2ccc(Br)cc2Cl)CN(C(=O)OC(C)(C)C)C1 2266202835 OJLJNLQOIYLOAN-KRWDZBQOSA-N 444.797 5.209 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Br)cc(C(C)C)c1 2280707828 CZRUNAKYISRYCH-WOJBJXKFSA-N 439.438 6.083 30 10 IKEE C=CCN(CC[C@H](NC)c1cc(Br)cc(C(C)(C)C)c1)C(=O)OC(C)(C)C 2288669927 JAGSPRABJWTQMD-IBGZPJMESA-N 439.438 5.820 30 10 IKEE CC(C)[C@]1(Nc2cc(Br)c(C#N)cc2F)CCCN(C(=O)OC(C)(C)C)C1 2289946922 NLIQBEPRNBCXFA-FQEVSTJZSA-N 440.357 5.297 30 10 IKEE CN[C@H](C#Cc1cccc(Br)c1)c1ccc(Cl)c(NC(=O)OC(C)(C)C)c1 2296287472 WVXXXQSIYVJSLL-GOSISDBHSA-N 449.776 5.762 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)C(=C(O)c4ccc(C)o4)[C@@H]3c3ccccc3)sc2c1 2296594457 DRSYIQCDSLXEDX-NRFANRHFSA-N 444.512 5.386 30 10 IKEE Cc1ccc(C(=O)C=Cc2cn(C[C@H](O)CN3CCc4ccccc43)c3ccccc23)cc1 2297359432 SACYANIVAVEYTE-RUZDIDTESA-N 436.555 5.269 30 10 IKEE O=C1C(=Nc2cccc(C(F)(F)F)c2)C(n2nnc3ccccc32)=C(O)c2ccccc21 2297739822 ABOLGBHLVHOMKP-UHFFFAOYSA-N 434.377 5.303 30 10 IKEE Cc1cc(Br)ccc1N=C1NC(=O)C(=Cc2ccc(N3CCCCC3)o2)S1 2313560085 IXCNNUQVVUJABY-UHFFFAOYSA-N 446.370 5.232 30 10 IKEE COc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1ccccc1 2314430238 ZJDQWYLQDKZFMS-UHFFFAOYSA-N 434.491 6.478 30 10 IKEE CCOC(=O)[C@H](Oc1ccc2c(c1)OC(=Cc1ccc(OCC)cc1)C2=O)c1ccccc1 2314438252 MOCROQIBBGULGV-AREMUKBSSA-N 444.483 5.385 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(OCc2ccccc2)cc1 2314470312 IDDMJFKUZHSWNC-RPBOFIJWSA-N 438.612 6.166 30 10 IKEE C[C@H]1CCc2c(sc(NC(=O)C=Cc3ccc(OCc4ccccc4)cc3)c2C#N)C1 2314734975 LINCDTKRWVCFPQ-SFHVURJKSA-N 428.557 5.975 30 10 IKEE CC[C@@]1(C)N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(C)cc1 2315231153 KHPACZINXCVBRU-RPBOFIJWSA-N 443.588 5.808 30 10 IKEE O=[N+]([O-])c1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C2CC2)cc1 2320915332 YIWMGQHMFFQCJM-UHFFFAOYSA-N 431.880 5.031 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(C)n1N=Cc1ccc(Cl)c(Cl)c1 2321090499 YVEICHIGXFXZJF-UHFFFAOYSA-N 448.379 5.069 30 10 IKEE CCC(CC)c1nnc(S)n1N=Cc1ccc(OC)c(OCc2ccc(Cl)cc2)c1 2321901418 HJEQGKKWMWKPFA-UHFFFAOYSA-N 444.988 5.594 30 10 IKEE CC(C)(C)c1nnc(S)n1N=Cc1cccc(OCc2c(Cl)cccc2Cl)c1 2321908665 YPJNDRMBSJVDPV-UHFFFAOYSA-N 435.380 5.632 30 10 IKEE CCCCOc1ccc(C=Nn2c(S)nnc2Cc2ccc(C)c(C)c2)cc1OCC 2321998513 LQUNBFZEPFFUHZ-UHFFFAOYSA-N 438.597 5.234 30 10 IKEE CCCCCCCCN1COc2ccc3c(c2C1)OC(=Cc1ccc(Cl)cc1)C3=O 2322183704 GGTIFYVBIRLEQY-UHFFFAOYSA-N 425.956 6.469 30 10 IKEE CCc1ccc(C(=O)C=Cc2c(OCC(=O)NCc3ccccc3)ccc3ccccc23)cc1 2322353627 XUKQYXDNVJMBJT-UHFFFAOYSA-N 449.550 5.994 30 10 IKEE CCCCC[C@H](CC)N1COc2c(cc3c(c2C)OC(=Cc2ccc(CC)cc2)C3=O)C1 2322356874 ZUQZGQBIKJDIAU-QHCPKHFHSA-N 433.592 6.684 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2c(F)cccc2Cl)cc1F 2322708516 BOSBRMFHPBKSBX-UHFFFAOYSA-N 449.280 6.755 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCc2cccc(F)c2)cc1F 2322708519 DFWCRHVVSXEJHH-UHFFFAOYSA-N 444.861 6.111 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)OC)cc1 2322763090 OFJPLKXKJJIWKX-UHFFFAOYSA-N 440.536 5.492 30 10 IKEE C=CCCN(Cc1ccccc1)C1(C(=O)O)CCC2(CCCN2C(=O)OC(C)(C)C)CC1 2322830224 POZHUFKQKLGPBI-UHFFFAOYSA-N 442.600 5.232 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC)c(OCc3ccc(Cl)cc3Cl)c2)c1 2323068430 SJBDUFDFGHTNAQ-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE CCOc1ccc(CCC(=O)Oc2ccc3c(c2C)OC(=Cc2ccco2)C3=O)cc1OC 2323098205 WHRRADAFQZGIJN-UHFFFAOYSA-N 448.471 5.150 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2cccc(OCc3cccc(F)c3)c2)cc1 2323226200 FWVKTVZEEVWCDH-UHFFFAOYSA-N 446.562 7.650 30 10 IKEE Cc1c(OC(=O)c2cccc(OC(C)C)c2)ccc2c1OC(=Cc1ccc(F)cc1)C2=O 2323809119 YKIDDLZUYZPCPB-UHFFFAOYSA-N 432.447 5.757 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OCC)cc2)cc(OC)c1OCc1cccc(F)c1 2323840486 JLVIJIZTOOGMNV-UHFFFAOYSA-N 446.518 6.437 30 10 IKEE CCN(Cc1ccccc1)c1ccc(C=NNc2nc(-c3ccccc3OC)cs2)cc1 2323852233 UBUNYQOQHGJCQJ-UHFFFAOYSA-N 442.588 6.291 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Cl)c1OCCc1ccccc1 2323975012 JZQDYMQACCUGDQ-UHFFFAOYSA-N 438.926 6.704 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3cccc4ccccc34)c(Cl)c2)cc1F 2324110921 STBAYLIZQUGLSE-UHFFFAOYSA-N 446.905 7.116 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3cc(C)ccc3C)c(Cl)c2)c(OC)c1 2324472464 MWQPTMKMBJWACA-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE Cc1ccsc1C=C1Oc2cc(O[C@@H](C)C(=O)Nc3cccc(C)c3C)ccc2C1=O 2324498832 SJUHRIDJVYVUNI-KRWDZBQOSA-N 433.529 5.696 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(OC)cc3OC)n2)cc1 2324504974 MSJCGFSAEWHVOF-HXUWFJFHSA-N 434.517 5.116 30 10 IKEE Cc1ccccc1C=C1Oc2cc(O[C@@H](C)C(=O)Nc3ccc(Cl)cc3)cc(C)c2C1=O 2324620562 KBACJIXXFQTQAX-KRWDZBQOSA-N 447.918 5.979 30 10 IKEE CCOC(=O)c1ccc(COc2ccc3c(c2C)OC(=Cc2ccc(CC)cc2)C3=O)o1 2325402333 ONZMZFQLDHYIFM-UHFFFAOYSA-N 432.472 5.522 30 10 IKEE COc1cccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(-c4ccccc4)cc3)c2)c1 2325707360 BDVYIZZLXVWWSW-UHFFFAOYSA-N 434.491 6.478 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)CCCOc3ccccc3C)c2)c(C)c1 2325736264 PAESOEAYZWNTON-UHFFFAOYSA-N 428.528 6.273 30 10 IKEE CCCCC1CCC(C(=O)Oc2cccc(C=CC(=O)c3cc(C)ccc3OC)c2)CC1 2325743390 CBUQZBXKIFQHHW-UHFFFAOYSA-N 434.576 6.802 30 10 IKEE CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1ccc(F)cc1F 2325903932 JTXILFMCJWFSPQ-UHFFFAOYSA-N 444.551 5.735 30 10 IKEE CCSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1cccc(OC)c1 2325908787 UVXYSFTWVNGQOC-UHFFFAOYSA-N 437.352 5.167 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1cccc(OC)c1 2326074768 QSMFPIGCLIRUNW-UHFFFAOYSA-N 442.972 5.112 30 10 IKEE CCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2326412558 XUCJRFZQXMXABY-UHFFFAOYSA-N 429.933 5.193 30 10 IKEE Cc1ccc(CSc2nnc(CCCOc3ccccc3C)n2N=Cc2ccco2)cc1 2327051284 RTBDZIHRJCHMIY-UHFFFAOYSA-N 446.576 5.674 30 10 IKEE CCSc1nnc(COc2ccc(C)cc2C)n1N=Cc1ccc(Cl)cc1Cl 2328893346 KMFXOUKCYNDMMP-UHFFFAOYSA-N 435.380 5.775 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OC)cc2)n1N=Cc1ccc(OCCC)cc1 2329278181 OZWHBACWMZLIDC-UHFFFAOYSA-N 436.581 5.217 30 10 IKEE Cc1ccc(CSc2nnc(COCc3ccccc3)n2N=Cc2ccccc2F)cc1 2329302220 PAOCJROXVFVTAK-UHFFFAOYSA-N 446.551 5.617 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2Cl)n1N=Cc1ccncc1 2330109681 PDPVNWQIOYTDCU-QGZVFWFLSA-N 433.968 5.653 30 10 IKEE Fc1cccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccc(F)cc2F)c1 2330471378 ZEIYUWJXFNXBKK-UHFFFAOYSA-N 438.478 5.461 30 10 IKEE C(=Nn1c(Cc2ccccc2)nnc1SCc1cccc2ccccc12)c1ccncc1 2330500874 AGXAYBCYOOJITR-UHFFFAOYSA-N 435.556 5.592 30 10 IKEE Fc1ccc(CSc2nnc(-c3cccs3)n2N=Cc2c(F)cccc2Cl)cc1 2330541074 DJSCLMPSRFIGTF-UHFFFAOYSA-N 446.935 6.113 30 10 IKEE Fc1ccccc1CSc1nnc(-c2ccccc2)n1N=Cc1c(F)cccc1Cl 2330674669 IVRAGTHNBZBBBD-UHFFFAOYSA-N 440.906 6.051 30 10 IKEE Cc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCC(=O)Nc2cccc(C)c2)cc1 2330821049 BQPNZOLQSYFGQR-UHFFFAOYSA-N 435.597 5.097 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)CC(C)C)c(Br)c2)cc1 2330833182 NAZTWTHYOQJAKS-UHFFFAOYSA-N 443.381 6.639 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1Br)c1cnccn1 2330929566 JPYBKJWXRNDTKX-UHFFFAOYSA-N 443.684 5.008 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)cc(Cl)c1OC(=O)CC(C)(C)C 2331069630 DHTPBNLHAJLJQM-UHFFFAOYSA-N 430.928 5.985 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OC(=O)c1ccc(OC)cc1 2331100849 PWRJLWSYVVSJMC-UHFFFAOYSA-N 438.426 5.487 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccccc3C)nnc2-c2ccco2)c(OC)c1 2331174312 NJWROZSADCUURC-UHFFFAOYSA-N 434.521 5.038 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)[C@@H]1C[C@H]1c1ccccc1Cl 2331180277 QQYQMYIUPKPIHE-FCHUYYIVSA-N 446.930 6.344 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)c1c(OC)cccc1OC 2331281659 ATABNALKEFKYLW-UHFFFAOYSA-N 446.499 5.526 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)c1ccncc1 2331331698 FVVHZUFXNVBIJF-UHFFFAOYSA-N 425.843 5.306 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)cc2F)c(Cl)c1)c1ccc2c(c1)OCO2 2331439826 RYYJSVMVXQDZGG-UHFFFAOYSA-N 442.801 5.462 30 10 IKEE CC(C)Cc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(N(C)C)cc1 2331464602 WTTLUAZXTAMPGF-UHFFFAOYSA-N 443.620 5.870 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1cc(C)cc(C)c1 2331709642 VTEZQBRJYYKPSC-UHFFFAOYSA-N 428.528 6.434 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3F)c(Cl)c2)cc1Cl 2331818887 XLACIAWUIXSJCQ-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE Cc1cc(CNc2ccc(OCc3ccccc3)cc2C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369679281 DYIUHLLAIUBIHP-UHFFFAOYSA-N 443.396 5.794 30 10 IKEE CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(OC(F)F)cc3)c2C#N)C1 2792136 YSDXAPCZFLBDEP-KDHUCADRSA-N 430.520 6.024 30 10 IKEE Cc1cc(Cl)cc2sc(N(CCCn3ccnc3)C(=O)c3ccc(C#N)cc3)nc12 10586475 KILXCVPGUVLYFO-UHFFFAOYSA-N 435.940 5.063 30 10 IKEE Cc1ccc(/N=C2\S[C@@H](CC(=O)c3ccc(Cl)cc3)C(=O)N2c2ccc(C)cc2)cc1 15055112 SUVBXPKXSKAOOD-NHKLCZRASA-N 448.975 6.366 30 10 IKEE C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2C)nnc1-c1ccc(Cl)cc1 16862752 RNGUTFTXMUKGFZ-AWEZNQCLSA-N 447.391 5.866 30 10 IKEE N#Cc1c(NC(=O)CCCSc2ccccc2)sc2c1CCN(Cc1ccccc1)C2 20779275 BYXBGGFOHRKLDO-UHFFFAOYSA-N 447.629 5.689 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(OC(C)C)cc2)cc1 21248383 KUNYVNKMFUWINA-OFNKIYASSA-N 433.548 5.267 30 10 IKEE CC(C)C(=O)Nc1cccc(CNC(=O)c2ccccc2Sc2ccccc2C#N)c1 27266391 XPYXBSVVDYZATP-UHFFFAOYSA-N 429.545 5.234 30 10 IKEE C=C/C=C(/SC)C(=O)CSc1nc2sc(C)c(C)c2c(=O)n1-c1ccccc1 33462682 DIAHCWJBJROACT-RQZCQDPDSA-N 428.604 5.158 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCc4c(F)c(F)c(F)c(F)c4F)ccc3C2=O)c1 39754263 GHJGGWLYXIKVLF-IUXPMGMMSA-N 448.343 5.586 30 10 IKEE Cc1oc(-c2ccc(Cl)c(Cl)c2)cc1C(=O)Nc1sc2c(c1C#N)CCCC2 39794765 NJNVHDHIQSCIIP-UHFFFAOYSA-N 431.344 6.626 30 10 IKEE COc1ccc2c(c1)O/C(=C\c1ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc1)C2=O 39856406 CADZJEPKHICQRQ-IWIPYMOSSA-N 428.484 5.828 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1ccc(C(C)(C)C)cc1 40099078 ZNGQDONZDLDLJG-IBGZPJMESA-N 426.582 5.436 30 10 IKEE Cc1cc(OCC(=O)OC(C)C)cc2c1C(=O)/C(=C/c1ccc(-c3ccccc3)cc1)O2 41502662 AIMHCHRUTSQURQ-OYKKKHCWSA-N 428.484 5.609 30 10 IKEE CCCCCCCCOc1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 100972556 FEVAJPDQAIXWAV-UHFFFAOYSA-N 438.612 5.149 30 10 IKEE CCOc1ccc2ccccc2c1/C=C1/S/C(=N/c2ccccc2)N(CCOC)C1=O 101649428 BGOFCPTWTLESKZ-AOUVVKEYSA-N 432.545 5.489 30 10 IKEE CCCCCCCCCCCCn1c([C@H](C)NC(=O)Cc2ccccc2)nc2ccccc21 102131002 PUHSAUQAMQQCRT-DEOSSOPVSA-N 447.667 7.377 30 10 IKEE O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@H](c2ccccc2)/C1=C(/O)c1ccccc1 103098369 SBBXHXHFEBWASW-GOBJLOIFSA-N 430.460 5.062 30 10 IKEE C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@H]1C/C(=C/c1ccc(OC(F)F)cc1)C2=O 118919568 PXDOMWMSMCFAEF-ZAMIPKJBSA-N 444.562 6.254 30 10 IKEE CC(=O)Oc1cc(O[C@H](C)CCCc2ccccc2)cc2c1C1=CC(=O)CC[C@H]1[C@@H](C)N2 148579480 NYIHATUYGXLEST-PNCHPQGNSA-N 433.548 5.579 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\NC(=S)NC2CCCCC2)cc1Cl 169941701 IPIROLUTTRCRMT-BWAHOGKJSA-N 438.081 6.600 30 10 IKEE CCCCCCCCCOc1ccc(C[C@@H]2CN(C)CC[C@@H]2O)cc1Br 169943306 RZDLPJFTLAAQOM-CTNGQTDRSA-N 426.439 5.434 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2cccc(C)c2)c1 169971575 JCXWRYFMCMKJHZ-QHCPKHFHSA-N 449.453 5.455 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccc(Cl)cc2)cc1 170058740 POSNWSJSYRQGIO-QFIPXVFZSA-N 432.907 5.076 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccccc2C)cc1 170088292 PSTGFNBPQVHYAZ-JOCHJYFZSA-N 435.426 5.065 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2cccs2)c1 170158515 GERQEIWRYSSQRQ-XMMPIXPASA-N 439.536 6.301 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2cccs2)cc1C 170160851 PZVJDJNNWIIKHZ-JOCHJYFZSA-N 433.529 5.465 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)cc(Cl)c2OC)[C@H]1c1cccs1 170165209 DPOSPHOFMOBZMX-OAHLLOKOSA-N 426.321 5.052 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccncc1)c1cccc(Cl)c1 170204092 YNUNQFZWPFNXQP-IBGZPJMESA-N 425.271 5.171 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCC)cc1 170216029 YDPXOEUQSWUOPD-HSZRJFAPSA-N 433.504 5.600 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2ccccc2)cc1C 170227604 WUCJEZPQXWSIQH-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(F)cc2)c1 170237268 XYOYCWZEBWYPLK-NRFANRHFSA-N 437.492 5.064 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@H]1c1ccc(F)cc1 170243658 RYUAFCZYMYXIRM-LJQANCHMSA-N 436.508 5.246 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCCC)c2)[C@@H]1c1ccc(F)cc1 170243719 BZLGBHBIBDZIMR-QFIPXVFZSA-N 425.500 5.383 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2F)cc1 170249152 FYYYGPYJWWOUQR-XMMPIXPASA-N 445.490 5.643 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2Cc2ccco2)cc1 170266312 LDDPXTPPCXSKNQ-VWLOTQADSA-N 437.495 5.774 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@@H]1c1ccc(CC)cc1 170267617 WSJQATBVFLZGOB-QFIPXVFZSA-N 441.955 5.680 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1sccc1C 170314198 SJFWNJGKJCUHLU-OAQYLSRUSA-N 447.556 5.773 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCC)c1 170323681 OSVFVNJRPRADLV-XMMPIXPASA-N 429.516 5.617 30 10 IKEE Cc1cc2sc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3cccnc3)nc2cc1Cl 170482726 WZNOYXCSHVJAIJ-IBGZPJMESA-N 441.940 5.168 30 10 IKEE C=C1CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1CC[C@H]1C(C)=CC[C@H]2C(C)(C)C(=O)CC[C@]12C 238782303 AVJMTAKTBATOTJ-VJIFFPPFSA-N 438.696 7.722 30 10 IKEE O=C1/C(=C/c2cccc(Cl)c2Cl)SC(=Nc2ccccc2)N1c1ccccc1 252629615 UKBNRNSJEYFUED-ZQFCNSAKSA-N 425.340 6.802 30 10 IKEE c1ccc(N=C2c3ccccc3C(c3ccccc3)(c3ccccc3)N2c2ccccc2)cc1 254293393 ZNQUXGMLZVYFCW-UHFFFAOYSA-N 436.558 7.577 30 10 IKEE Cc1ccc(N=C(c2ccccc2)[C@@H]2SC(=N)N(c3ccccc3)[C@@H]2c2ccccc2)cc1 254391866 BJWFNANIWVLDLW-IZLXSDGUSA-N 447.607 7.414 30 10 IKEE CCc1ccc(/C=C2\SC(=Nc3cccc4ccccc34)N(Cc3ccccc3)C2=O)cc1 254483786 NHMYWLKXCPQTMO-WBLURPLBSA-N 448.591 7.206 30 10 IKEE CCCCOC(=O)c1ccc(-c2ccc(C=NNc3ccc(OC)cc3[N+](=O)[O-])o2)cc1 254868186 ODFACLBOGCJEKG-UHFFFAOYSA-N 437.452 5.266 30 10 IKEE C=C(COCCC)[C@H](NCCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 407170727 ZIXHDIVGVUGQAN-IBGZPJMESA-N 441.410 5.820 30 10 IKEE CC(C)COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccc(F)c2)cc1 526604387 INYJWWFSLOBFKQ-RUZDIDTESA-N 442.490 5.789 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2cccc3ccccc23)[C@@H]1c1ccc([N+](=O)[O-])cc1 526610300 LMPTZKHQQWGNQX-VWLOTQADSA-N 447.450 5.677 30 10 IKEE CCn1c(C)c(/C=N\n2cnnc2SCc2c(Cl)cccc2Cl)c2ccccc21 526814462 OSCWBIKNUUVWSQ-GATIEOLUSA-N 444.391 6.042 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1ccc(Br)cc1 526826280 YDRXBGVQUULTJU-QRVIBDJDSA-N 447.377 5.697 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nncn2/N=C\c2c(Cl)ccc(Cl)c2Cl)cc1 526828334 GEULAXJYQXLKDN-YXSASFKJSA-N 442.715 5.321 30 10 IKEE C=CCCN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc(CCCCCC)cc1 586230484 IJOUWWKTJNQNSG-UHFFFAOYSA-N 431.598 5.598 30 10 IKEE C=CCCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(CCCCCC)cc1 586236262 MRMBFBFFWKSEEN-UHFFFAOYSA-N 439.543 6.600 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1cccc(C(F)F)c1 698452137 AFSZTBFYMPETJT-KRWDZBQOSA-N 437.284 6.393 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@@H](C#N)c1cccc(Br)c1F 698967577 RTBKKOJQCLPPEL-INIZCTEOSA-N 439.712 6.248 30 10 IKEE CCSc1cccc(NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)c1C#N 705851903 GGFFREROZAAZBT-UHFFFAOYSA-N 443.616 5.554 30 10 IKEE 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)c1ccc(F)cc1 710715949 JBXUYMKLLLDYDZ-QILBDFMCSA-N 445.535 5.105 30 10 IKEE C[C@H]1N(C(=O)OC(C)(C)C)CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 710723847 FUEKXPANSWUYGT-WAIKUNEKSA-N 449.979 5.763 30 10 IKEE CN1C(=O)/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)SC1=Nc1cccnc1 1772731163 IYNXXYVDQKBJGB-FKSIKXIZSA-N 435.936 5.548 30 10 IKEE O=C1/C(=C/C=C/c2ccccc2[N+](=O)[O-])SC(=Nc2nccs2)N1C1CCCCC1 1772733266 ISTRRHWFBOJBLT-VKLNBLMMSA-N 440.550 5.544 30 10 IKEE O=C1/C(=C/c2c[nH]c3ccccc23)SC(=Nc2ccncc2Cl)N1C1CCCCC1 1772737707 QGTCFOITMUZGGB-PHNMUWTHSA-N 436.968 6.153 30 10 IKEE Cc1c(N=Nc2cccc(Cl)c2Cl)c(O)n([C@@H](C)c2ccccc2)c(=O)c1C#N 1772740788 HYDQMMVYPKLCCA-ZDUSSCGKSA-N 427.291 6.066 30 10 IKEE CCc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=S)Nc2ccccc2)CCC3)cc1 1772749907 GTUAELGTBJFRQS-UHFFFAOYSA-N 446.576 5.430 30 10 IKEE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)C(=NNc3ccccc3)CCC4)c2n1 1772751056 USOZNDGBHOIZPQ-UHFFFAOYSA-N 425.488 5.816 30 10 IKEE CCCCCOc1ccc(C=NNc2nnc3c4ccccc4n(CC)c3n2)cc1OC 1772765080 RPYKJCBULDGXMT-UHFFFAOYSA-N 432.528 5.023 30 10 IKEE CCc1ccc(-c2csc3nc(-c4cccnc4)n(Cc4cccc(C#N)c4)c(=O)c23)cc1 1857804311 XUSCTHVAQSDRIP-UHFFFAOYSA-N 448.551 5.669 30 10 IKEE N#Cc1ccccc1NC(=O)c1cc(-c2ccc(F)cc2)n(Cc2ccccc2Cl)n1 1859386360 JFKWWVBKIOPMCM-UHFFFAOYSA-N 430.870 5.515 30 10 IKEE N#Cc1cnn(-c2ccc3ccccc3n2)c1NC(=O)c1cc2c(ccc3ccccc32)o1 1859742207 WACOFJZQFLEUAQ-UHFFFAOYSA-N 429.439 5.444 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)c1cc([N+](=O)[O-])ccc1Cl 1861838307 IYIMAMKZJAOXJG-QFIPXVFZSA-N 439.984 5.404 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C2CC2)cc1 1862380823 LYNHFCSAMSERCN-HXUWFJFHSA-N 430.331 5.858 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 1862396918 MCMPHOOFNDBANY-DEOSSOPVSA-N 433.592 6.313 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862406374 ODSCZUQSWHPUHT-SBUREZEXSA-N 437.536 5.169 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@H]1c1cccc(F)c1)c1ccccc1Cl 1862431449 HOHJHRYYFXTPCS-QHCPKHFHSA-N 449.909 5.690 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1 1862443968 VAESFMQZZQGAHF-NRFANRHFSA-N 445.918 5.264 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(F)cc1F 1862476492 AXUBCVLTDWROCR-HSZRJFAPSA-N 441.518 6.212 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2ccc(O)cc2)ccc1F 1862507732 SGZYEXVSZVGKBL-DEOSSOPVSA-N 445.490 5.051 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2cccc(O)c2)cc1 1862513863 AQTLPQIQGRXMQK-YJGRUCBDSA-N 449.547 5.338 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc(CC)cc2)cc1 1862530651 VFYNEGQYBPUYSL-XYURVEJXSA-N 431.576 5.968 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccccc1)c1ccc2c(c1)CCCC2 1862543735 NQIKIKIVYUNQOI-SANMLTNESA-N 437.539 5.386 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862560771 IMUPDPXREAZPTA-XMMPIXPASA-N 440.543 5.345 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2ccccc2Cl)c1 1862561726 XKSIOEXNHZERFQ-HSZRJFAPSA-N 446.934 5.318 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)c1 1862564291 WRENGSZZPWZVRW-OUPRXKBMSA-N 448.563 5.215 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862590832 RASCZMKDSVNYQG-OSPHWJPCSA-N 427.500 5.294 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C2CCCCC2)cc1 1862595624 IVPUCCQJEFKKTD-HSZRJFAPSA-N 435.520 5.092 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1Cl)c1cccc2ccccc12 1862653197 ODPSWAZZMWYBHU-XMMPIXPASA-N 445.946 6.404 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2cccc(O)c2)cc1 1862661306 CZZIFVPCCCVUBE-RUZDIDTESA-N 447.575 6.207 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccccc2F)cc1 1862661327 DKWDUWQQWTVJKX-IQGLISFBSA-N 443.518 6.289 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1 1862675830 UZMDLFBJWYKNBK-OYHNWAKOSA-N 435.882 5.819 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2C2CC2)cc1 1862725862 TWJIKDUNHLEWRW-DEOSSOPVSA-N 425.484 5.103 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccccc1F)c1ccc([N+](=O)[O-])cc1 1862746309 CPFURCONWLQXSL-OAQYLSRUSA-N 438.455 5.035 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(NC(C)=O)c2)=C(c2ccc(C)cc2)C1=O 1863266889 TUYFPBPHAHQLKS-UHFFFAOYSA-N 447.579 5.506 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2cccnc2)=C(c2cccc3ccccc23)C1=O 1863583990 XBZYELMGVAZQNL-UHFFFAOYSA-N 441.575 5.465 30 10 IKEE CCCCCCCCNC1=C(c2cc(C)ccc2C)C(=O)N(CCc2ccc(C)cc2)C1=O 1863745628 LOOAKKPGRYJGQD-UHFFFAOYSA-N 446.635 5.885 30 10 IKEE C[C@@H]1CCCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCC2=CCCCC2)C1 1870350628 OSVUASWNWGHSTM-JOCHJYFZSA-N 445.607 5.421 30 10 IKEE C=CCn1cc(OCc2c(C)cc(C)cc2C)c(=O)cc1CNc1ccc(F)c(Cl)c1 1870802825 LRAGFFCNFWDWHS-UHFFFAOYSA-N 440.946 5.943 30 10 IKEE C=CCn1cc(OCc2cccc(C)c2)c(=O)cc1CNc1ccc(N(CC)CC)cc1C 1871070054 MGTWKHYQGWYTLY-UHFFFAOYSA-N 445.607 5.688 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccccc1Cl)O3)CN(CCOc1ccccc1)CO2 1871346398 DLHLVQQUJLCDEJ-UCQKPKSFSA-N 447.918 5.496 30 10 IKEE Cc1ccc(C)c(CN2COc3cc(C)c4c(c3C2)O/C(=C\c2ccc(F)cc2)C4=O)c1 1871348558 GIUCOKBJIAUBQP-MSXFZWOLSA-N 429.491 5.719 30 10 IKEE C[C@H](N1COc2ccc3c(c2C1)O/C(=C\c1cccs1)C3=O)C12CC3CC(CC(C3)C1)C2 1871354509 SLHGFGAAWCZPBG-CDONTGMYSA-N 447.600 6.121 30 10 IKEE O=C1/C(=C/c2cccc(F)c2)Oc2c1ccc1c2CN(CCCCc2ccccc2)CO1 1871354700 YJTAUJNBWXIDRI-XYGWBWBKSA-N 429.491 5.617 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OC(=O)c3cccc4ccccc34)cc(C)c2C1=O 1871377732 BDJRSKRQOPKBMR-MYYYXRDXSA-N 436.463 5.992 30 10 IKEE Cc1cc(OCCCOc2ccccc2)cc2c1C(=O)/C(=C/c1c(F)cccc1Cl)O2 1871398532 UYCADIFHGZAHOD-HAHDFKILSA-N 438.882 6.252 30 10 IKEE CCc1ccc(NC(=O)[C@@H](CC)Oc2ccc3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871425692 MYUKMGNVHRPKHF-UTZZCCADSA-N 441.527 5.970 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O 1871430020 ZHKXBOSAUDMAEF-BKUYFWCQSA-N 431.891 5.123 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C(C)C)cc4)cc(C)c3C2=O)c1 1871435300 DKHRYESRBJEHLQ-QFEZKATASA-N 441.527 6.061 30 10 IKEE Cc1ccc(CCOc2ccc3c(c2C)O/C(=C\c2ccc(Br)cc2)C3=O)cc1 1871437553 IEYCEFJIRNMHCG-HAHDFKILSA-N 449.344 6.304 30 10 IKEE COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OCc3cccc(C)c3)ccc2C1=O 1871455031 HZYQQKRIRJLBNW-ROTLSHHCSA-N 432.472 5.216 30 10 IKEE C[C@H](Oc1ccc(Cl)cc1)C(=O)[C@H](C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1872760400 NLDGSWOOPRYHOZ-SJCJKPOMSA-N 427.869 5.015 30 10 IKEE Cc1cccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1C 1872762139 DVAIALHWUUQNQD-MRXNPFEDSA-N 431.344 5.989 30 10 IKEE COc1ccc(C)cc1-c1csc([C@@H](C#N)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 1872771297 RBOAUCSWQUDIDY-AWEZNQCLSA-N 427.869 5.179 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)c2ccc(C(C)(C)C)cc2)n1 1872777353 LMHAUAACIXFWKS-NRFANRHFSA-N 446.616 6.904 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@H](C#N)C(=O)c3ccc(C(C)(C)C)cc3)n2)c1 1872781488 VFFPYNHOBRPBPW-OAQYLSRUSA-N 448.588 6.395 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H](CC)CCCCC)=C(c2ccc(Cl)cc2)C1=O 1873138294 KUACGRXYNOSVND-JOCHJYFZSA-N 447.063 6.729 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(OCCCC)cc1)n2Cc1ccco1 1873614973 JJRANAUXSSIMCM-UHFFFAOYSA-N 445.523 5.102 30 10 IKEE CCCCCCCCCCNC(=O)CSCc1nc(O)c2cc(C(C)C)sc2n1 1873935419 PPJIGAMJVGLINT-UHFFFAOYSA-N 437.675 6.010 30 10 IKEE CCCSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccccc1OC(C)C 1874267734 MGNLMELXNZNTIC-ZVHZXABRSA-N 444.988 5.682 30 10 IKEE C=C(C)CSc1nnc(COc2c(C)cccc2C)n1/N=C/c1ccc(C(C)C)cc1 1874300399 HQVJWRJZEFRSAO-VULFUBBASA-N 434.609 6.148 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3C)n2/N=C/c2ccccn2)cc1C 1874319896 OVGFFNWBHHSJJX-JFLMPSFJSA-N 443.576 5.352 30 10 IKEE Fc1cccc(CSc2nnc(Cc3ccc(Cl)cc3)n2/N=C/c2ccncc2)c1 1874337541 ZWKKPDXBXJAPAW-VULFUBBASA-N 437.931 5.231 30 10 IKEE Fc1ccccc1CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc[nH]1 1874342521 UKFUINROEMINJI-DHRITJCHSA-N 425.920 5.164 30 10 IKEE Cc1cccc(CSc2nnc(Cc3cccs3)n2/N=C/c2ccc(C(C)C)cc2)c1 1874410397 RIBLFKWZOBAGKT-WGOQTCKBSA-N 446.645 6.537 30 10 IKEE Clc1ccccc1CSc1nnc(Cc2cccs2)n1/N=C/c1cccs1 1874412852 ZHWBICTUHHDIOJ-CIAFOILYSA-N 431.011 5.820 30 10 IKEE Cc1ccccc1CSc1nnc(CC(C)(C)C)n1/N=C/c1ccccc1OC(C)C 1874437404 ZFRGQJAXKVXAED-WGOQTCKBSA-N 436.625 6.137 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(CC(C)(C)C)nnc2SCc2cccc3ccccc23)c1 1874439995 DEXGAUGKCASWNY-JVWAILMASA-N 444.604 6.208 30 10 IKEE Oc1ccccc1/C=N/n1c(SCc2c(Cl)cccc2Cl)nnc1C1CCCC1 1874456995 VCSJUUDDANOFFH-WYMPLXKRSA-N 447.391 6.123 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874477486 CBTVCLYOCOQAQA-WYMPLXKRSA-N 448.951 5.302 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(F)cc1 1874485760 LIAFOUSRMNUQDH-BHGWPJFGSA-N 437.371 6.196 30 10 IKEE CCOc1cc(/C=N/n2c(SC)nnc2C2CCC2)ccc1OCc1ccc(C)cc1 1874491893 NZTNVHACDWUKFT-MFKUBSTISA-N 436.581 5.436 30 10 IKEE COc1ccc(OC)c(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CCC2)c1 1874497411 JGNHGVUJYLTTLM-ZMOGYAJESA-N 442.972 5.391 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1cc(Cl)ccc1O 1874528822 CPVYBNQSDSVXKS-LSFURLLWSA-N 425.316 5.167 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2c(OCC(=O)OCC(C)C)ccc3ccccc23)c1 1874581125 XXHCKJABSFRDBU-VAWYXSNFSA-N 448.515 5.331 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1cccc(OCC(=O)Nc2nccs2)c1 1874600457 NNZCHYUMTPOGBO-VOTSOKGWSA-N 442.924 5.027 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1)c1ccc(-c2ccccc2)cc1 1874601355 HJOXUGIAMARTOZ-LZYBPNLTSA-N 442.917 7.621 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1ccc(F)cc1 1874602438 MIKBFYWKICHNGI-JLHYYAGUSA-N 447.462 5.946 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1cccc(C)c1 1874610673 FPXDGTSLWWRARY-IZZDOVSWSA-N 437.879 6.040 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCc3c(F)cccc3Cl)c(Cl)c2)c(C)c1 1874615422 XCNFXXLOCAGUQQ-JXMROGBWSA-N 429.318 7.224 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc([N+](=O)[O-])c1OCc1ccccc1C 1874620362 WKXWTQISLQJZAZ-FMIVXFBMSA-N 449.478 6.225 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)ccc1OCc1cccc(C)c1 1874622030 IGIILNZGJOFKQI-JXMROGBWSA-N 430.500 5.640 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OCC(=O)NCc3ccccc3)c(Cl)c2)cc1 1874623925 COGXWPXJLYPEEZ-RIYZIHGNSA-N 447.962 6.055 30 10 IKEE C=CCOc1c(CC=C)cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1OC 1874627988 HESOQRTXZOVAQX-SFQUDFHCSA-N 426.512 6.677 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cc(OC)c(OCc3ccc(C)cc3)c(OC)c2)cc1C 1874636866 WMCJIOZIZGGOGC-VAWYXSNFSA-N 446.543 6.113 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)c1 1874694424 BZUHITACERWAFS-DHZHZOJOSA-N 447.443 5.036 30 10 IKEE O=C(CSc1ccccc1)Oc1cccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)c1 1874706239 WXENRUAQUQMTDN-PKNBQFBNSA-N 432.497 5.052 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccccc3)c2)cc1 1874708837 XJPONMNIQDRXGA-HMMYKYKNSA-N 442.555 7.151 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)c(OC)c1 1874714169 HOSRYYKLFLFTCS-XYOKQWHBSA-N 447.443 5.036 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OC(=O)CSc1ccccc1 1874716264 KOVDKHKEJHBIPI-ZRDIBKRKSA-N 446.568 6.214 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(C(C)C)cc2)CSc2nnc(CC)n21 1874837359 KQGFHGHHLLYHNV-NRFANRHFSA-N 428.646 6.026 30 10 IKEE O=C(Cc1ccc(F)cc1F)Oc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1 1875094718 GEDSATGVNOVIMM-VGOFMYFVSA-N 428.434 6.162 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(OC)cc3)c([N+](=O)[O-])c2)cc1 1875100936 NVIGJCPOHRNJSW-RIYZIHGNSA-N 445.471 5.210 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2Cl)cc(OC)c1OC(=O)c1cccc(C)c1 1875110508 OGJQVNXZPHFYQT-BUHFOSPRSA-N 446.930 6.501 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)CCCSC 1875135075 YKEMSKOLPGZYKN-PKNBQFBNSA-N 446.996 6.300 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)CC(C)C)c(OCC)c2)cc1 1875138782 WXTAUPWWRXQORB-KPKJPENVSA-N 444.955 6.375 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)c1ccc(OC(C)=O)cc1 1875139943 IYBJUUQAZNCSCE-NTUHNPAUSA-N 444.483 5.353 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OC(=O)c1ccc(F)c(F)c1 1875156201 ONCQKEMYDVRCEQ-UKTHLTGXSA-N 444.433 6.242 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)CCCOc1cccc(C)c1 1875159168 FQPZEKSVYFQWOS-RIYZIHGNSA-N 448.490 5.803 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)c(C)c3)c([N+](=O)[O-])c2)cc1C 1875174895 OGVSIAAQNXFVPK-YRNVUSSQSA-N 429.472 5.944 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 1922092777 WGFFHKYTVHPVGM-VPBXCIAMSA-N 442.644 5.553 30 10 IKEE C=CCC1(NCc2ccc(Br)c(Cl)c2)CCN(C(=O)OC(C)(C)C)CC1 1924543791 ZBPVQTDAOGDRRC-UHFFFAOYSA-N 443.813 5.538 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@@H]1Nc1ccc(C#N)cc1Br 1924913915 MPEDLLLYNTVCBD-CRAIPNDOSA-N 434.378 5.206 30 10 IKEE Brc1csc(CN=C2N[C@H](CC3CCCC3)CS2)c1Br 1926701154 ZAEHZDFELHMPJA-SNVBAGLBSA-N 438.254 5.414 30 10 IKEE CCCCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](F)C(=O)O 1927456431 VJNSQFAIIRSPPI-GOTSBHOMSA-N 427.516 5.677 30 10 IKEE CCCCCCC[C@H]1[C@H](C(=O)O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21 1952782853 XGMNKVMTAVWSNR-NOZRDPDXSA-N 435.564 6.071 30 10 IKEE CCC[C@@H]1CC[C@@H](C#N)[C@@H]([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)C1 1983609773 ZEGISDNGHKYMSK-ONMDXVTGSA-N 446.547 5.334 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc([C@](C)(C#N)N(C[C@H]2CCCO2)C(=O)OC(C)(C)C)c1 2027942597 WEOMVKIWLYYCHK-DVECYGJZSA-N 445.560 5.188 30 10 IKEE Cc1ccc(Sc2ccc(C=CC(=O)c3ccccc3OC(F)F)cc2[N+](=O)[O-])cc1 2053614467 UFWKFGZGDNADRV-UHFFFAOYSA-N 441.455 6.552 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)[C@@H]1C1CC1 2067949815 GETJXFOULRSWQC-CPJSRVTESA-N 447.620 5.628 30 10 IKEE C=CCCCCC(=O)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071344998 GQLPFLQCGSLVET-NDEPHWFRSA-N 430.544 6.194 30 10 IKEE Cc1ccc([C@@H](n2nc(C(C)C)c(C#N)c2I)C2(C)CC2)c(F)c1 2079042788 QFDIVNVDFVIFTN-QGZVFWFLSA-N 437.300 5.320 30 10 IKEE COc1ccc([C@H](n2nc(C(F)(F)F)c(C#N)c2Br)C2(C)CC2)cc1C 2080007129 NGWWTILXBNLYKB-HNNXBMFYSA-N 428.252 5.243 30 10 IKEE Cc1ccc(Br)c(-c2cc(Cl)n3nc(C4CCCCC4)c(C#N)c3n2)c1 2081396112 FVUQHPHXVDWEHU-UHFFFAOYSA-N 429.749 6.040 30 10 IKEE C=CCCCCCC[C@H](O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2085849441 LCYGIBBRPLAOQZ-DEOSSOPVSA-N 444.660 5.824 30 10 IKEE C=CCN(CC[C@@H](NCC)c1ccc(Br)c(Cl)c1F)C(=O)OC(C)(C)C 2099293025 OEOUAEBLGUSFEQ-OAHLLOKOSA-N 449.792 5.705 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Br)c1C)NCCC 2143734855 YZVKQGTWVOXHNU-WOJBJXKFSA-N 439.438 5.528 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(C)ccc(Br)c1F 2145545359 YGVXJFMINKMJBR-APWZRJJASA-N 441.385 5.244 30 10 IKEE CCCCCCC[C@H](NCC)[C@@H](O)c1cc(Br)c(Br)s1 2148579766 TVXCUTPALWXGML-GXTWGEPZSA-N 427.246 5.645 30 10 IKEE Brc1csc(CN=C2N[C@@H](C3CCCC3)CCS2)c1Br 2150562904 OUZJCOJUSIWLKS-LLVKDONJSA-N 438.254 5.414 30 10 IKEE CC(C)(C)OC(=O)NC(C)(C)c1ccc(Nc2ccc(C#N)c(Br)c2)cc1 2162297846 UYTOYKDKDJEHJJ-UHFFFAOYSA-N 430.346 5.824 30 10 IKEE C=CCCC1([C@@H](N)c2ccc(Br)cc2Cl)CN(C(=O)OC(C)(C)C)C1 2255004983 YUMQQGJQIJATEE-INIZCTEOSA-N 429.786 5.306 30 10 IKEE O=C(N[C@@H](C(=O)C#Cc1ccc(Br)cc1)c1ccccc1)OCc1ccccc1 2278810537 XREPCLZCHXLZJE-HSZRJFAPSA-N 448.316 5.037 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2cc(Br)ccc2C#N)C[C@H]1C(F)(F)F 2279226986 DKMIJAHTUYHPBY-HIFRSBDPSA-N 448.283 5.063 30 10 IKEE C=CCCC1([C@H](NC)c2cc(F)c(Br)c(F)c2)CN(C(=O)OC(C)(C)C)C1 2281052844 HXWKFHYDBWKJHJ-QGZVFWFLSA-N 445.348 5.191 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(O)c3CN3CCC[C@@H](C)C3)C2=O)c2cc(OC)ccc21 2296606479 CYWOHMRXGGESRQ-QGZVFWFLSA-N 446.547 5.224 30 10 IKEE COC(=O)C[C@@H]1c2cccnc2Oc2ccc3c(c21)OC(=Cc1ccc(C(C)C)cc1)C3=O 2297591888 OFKGYDCNJYZQLI-HXUWFJFHSA-N 441.483 5.622 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1cccc(Br)c1)C2=O)c1ccc(F)cc1 2314437023 AJBNJQPOGACYAD-UHFFFAOYSA-N 439.236 5.424 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1 2314477397 GKCPVUBWGGFHAZ-VWLOTQADSA-N 443.499 5.247 30 10 IKEE Cc1occc1C(=O)Nc1ccc(C(=O)C=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 2314522832 AEEOAJUXWXSPOY-UHFFFAOYSA-N 442.427 5.905 30 10 IKEE O=C1C(=Cc2ccc([N+](=O)[O-])cc2)SC(=Nc2cccnc2Cl)N1C1CCCCC1 2314540623 URVWFGPZSMARMP-UHFFFAOYSA-N 442.928 5.580 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(-c3ccccc3Cl)o2)SC1=Nc1nccs1 2314543150 WSQSEIHQJQIZQB-UHFFFAOYSA-N 427.938 5.847 30 10 IKEE CC#CCN(C[C@@H](NCC)c1ccc(Br)cc1Cl)C(=O)OC(C)(C)C 2316095387 SAQSASHOPCGRDA-QGZVFWFLSA-N 429.786 5.014 30 10 IKEE Cc1ccc(COc2ccc3c(c2C)OC(=Cc2ccc(Br)cc2)C3=O)cc1 2321745746 WKLFMQCSRWPASF-UHFFFAOYSA-N 435.317 6.261 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccc(F)cc2)cc1Cl 2322978984 BVTRNBPWJAHDQJ-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc2c(c1)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2323485234 BSBDSCZLEJLGFD-UHFFFAOYSA-N 431.315 6.485 30 10 IKEE CCOc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2F)C3=O)cc1 2323511330 OKVVSLYOUPMFKR-UHFFFAOYSA-N 430.431 5.459 30 10 IKEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccccc3OC)cc2Cl)o1 2323701488 RJBMDEGSFPNLGI-UHFFFAOYSA-N 426.852 5.203 30 10 IKEE CCOc1c(Cl)cc(C=NNc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1Cl 2323839913 NNAOKHLELLSNNH-UHFFFAOYSA-N 449.363 5.920 30 10 IKEE CC(C)C(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2)C3=O)cc1 2323933570 KXUSFWFAUDQDDF-UHFFFAOYSA-N 428.440 5.083 30 10 IKEE C=CCOc1c(Br)cc(C=CC(=O)c2ccc(OCCC)cc2)cc1OCC 2323936792 WHLLXPPYZBGUIJ-UHFFFAOYSA-N 445.353 6.098 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Br)c(OC)c(Br)c2)cc1F 2324109902 CRMLOKRCONZJRT-UHFFFAOYSA-N 444.094 5.264 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(OC)cc3OC)n2)cc1 2324404423 XRFONCLEZQKAFO-QFIPXVFZSA-N 446.572 6.060 30 10 IKEE N#C[C@@H](C(=O)C(=Cc1ccccc1)c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 2324490591 ALSFVOOKVUKPJL-QHCPKHFHSA-N 440.955 6.881 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1Cl 2324607220 VMGQLFNGDDZFRT-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc(C)cc3)c(Cl)c2)cc1Cl 2324609967 OAIOZDXOFMXFDF-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE CCCCCCOC(=O)COc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1Cl)C2=O 2325027679 BKIWEPPNYGCCTO-UHFFFAOYSA-N 449.330 6.112 30 10 IKEE CCCCCOC(=O)COc1cc(C)c2c(c1)OC(=Cc1c(F)cccc1Cl)C2=O 2325045190 OSMYMQJKJGXSCY-UHFFFAOYSA-N 432.875 5.516 30 10 IKEE CCOc1ccc(C=Nn2c(CC)nnc2SCc2cccc(Cl)c2)cc1OCC 2325610419 GSMAGXUJBCCJGF-UHFFFAOYSA-N 444.988 5.466 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(C(=O)O)cc1 2325610565 RXJPTCMKFKQMJQ-UHFFFAOYSA-N 435.336 5.020 30 10 IKEE O=C(CCOc1ccccc1)Oc1cccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)c1 2325669533 WASZAHXINSUQDE-UHFFFAOYSA-N 448.518 6.624 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccccc2[N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 2325669730 XADMYTHTZRRICM-UHFFFAOYSA-N 449.462 6.377 30 10 IKEE COc1ccc(CCC(=O)Oc2cc(C=CC(=O)c3cccc(OC)c3)ccc2OC)cc1 2325706925 YLNQQKSEFQBNGH-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cccc(Cl)c3)c2)cc1 2325734051 QHHSOYZXEGKHNA-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1cccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)c1 2325737016 LTVRSCMPZKCJRE-UHFFFAOYSA-N 429.274 6.177 30 10 IKEE CCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccc(N(C)C)cc1 2326006517 VVYNWWJIHJUQLI-UHFFFAOYSA-N 444.004 5.003 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(OCC)c(Cl)c1 2326272396 HHUTWWIAGDQFQN-UHFFFAOYSA-N 432.952 5.596 30 10 IKEE CCCOc1ccccc1C=Nn1c(CC)nnc1SCc1ccc(C(C)(C)C)cc1 2326326461 MOMTWAKXBLWJHY-UHFFFAOYSA-N 436.625 6.101 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1ccc(OCC(C)C)cc1 2326415967 OOVLJHKOAQRLTE-UHFFFAOYSA-N 436.625 6.057 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2N=Cc2cccc(O)c2)c(C)c1 2326460694 FOLZXZVMGLLAIQ-UHFFFAOYSA-N 442.588 5.560 30 10 IKEE Cc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(OC(C)(C)C)cc1 2326567819 DOCAKTRIBRMING-UHFFFAOYSA-N 432.952 5.731 30 10 IKEE CCOc1c(Cl)cc(C=Nn2c(CC)nnc2SCc2cccc(F)c2)cc1OC 2326731196 LSMQSGGEOFYSQG-UHFFFAOYSA-N 448.951 5.215 30 10 IKEE C=CCSc1nnc(COc2ccccc2OC)n1N=Cc1ccc(Cl)cc1Cl 2328297471 PAHFBCOIPQRSJC-UHFFFAOYSA-N 449.363 5.333 30 10 IKEE CCCOc1ccc(C=Nn2c(COc3ccc(OC)cc3)nnc2SCCC)cc1 2328403683 RZIOFDNMRCZBJJ-UHFFFAOYSA-N 440.569 5.039 30 10 IKEE Cc1ccc(CSc2nnc(COc3c(C)cccc3C)n2N=Cc2ccc[nH]2)cc1 2328545438 MCPFWVWEPMWUOQ-UHFFFAOYSA-N 431.565 5.285 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2ccc(O)cc2)cc1 2328567857 YRAPWVYAQAFUSC-UHFFFAOYSA-N 444.560 5.148 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3C)n2N=Cc2cccc(O)c2)cc1 2329465560 WQQDUJVVPLBHKH-UHFFFAOYSA-N 442.588 5.560 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3C)n2N=Cc2cccc(F)c2)c1 2329476641 ZOBSPGFOXPIYHB-UHFFFAOYSA-N 444.579 5.994 30 10 IKEE CCSc1nnc(COc2ccccc2)n1N=Cc1ccc(OCc2ccccc2)cc1 2329904198 YXZHRNXIVILQFW-UHFFFAOYSA-N 444.560 5.430 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3ccccc3C)nnc2-c2ccccc2)c1 2330635246 ZINKWYUWQXXGQJ-UHFFFAOYSA-N 442.588 6.217 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2ccccc2C)nnc1C1CCCC1 2331030577 KAXMFIULDXITRV-UHFFFAOYSA-N 432.593 5.983 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2c(Cl)cccc2Cl)nnc1C1CCCC1 2331081720 KFJGSMNFPKJWCB-UHFFFAOYSA-N 445.419 6.725 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1Cl 2331087204 DJAHYUMPZWSLCU-UHFFFAOYSA-N 442.845 5.671 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)CSc3ccccc3)c(Cl)c2)c(C)c1 2331224348 RDANFYWEWFYTRX-UHFFFAOYSA-N 436.960 6.551 30 10 IKEE CC(C)(C)c1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1cccc2ccccc12 2331362788 QMNLMNPZJWQCLJ-UHFFFAOYSA-N 443.576 5.342 30 10 IKEE CCCOc1ccc(C=Nn2c(CC(C)C)nnc2SCc2ccc(F)cc2)cc1 2331434178 GXEOWFLCPUYMJL-UHFFFAOYSA-N 426.561 5.579 30 10 IKEE CC(C)Cc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccccc1O 2331461894 SYLCFDCALACBEA-UHFFFAOYSA-N 435.380 5.664 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(F)c3)cc2Cl)c1 2331557511 DLARSGINCUOURZ-UHFFFAOYSA-N 426.846 6.350 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)CCCSC 2331630231 HNFIHQBHSQFPBF-UHFFFAOYSA-N 442.577 5.655 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2C(C)C)cc1OC 2331687525 YITOGVAKFUSTHT-UHFFFAOYSA-N 428.533 5.122 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)CC(C)(C)C)c(Cl)c1 2331792932 CPADEVJCEXNWHL-UHFFFAOYSA-N 426.984 7.184 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(F)c(F)c2)cc1 2331875118 QXNAUSSOWSIYLS-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE CC#CCN(C[C@H](NCC)c1cc(Cl)cc(Br)c1F)C(=O)OC(C)(C)C 2337900173 BZPLEQAPJVQCOD-INIZCTEOSA-N 447.776 5.153 30 10 IKEE CC(C)[C@H](CCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339595946 FTLFRDXBIMRYNC-IBGZPJMESA-N 446.397 5.044 30 10 IKEE COCc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)s1 2352091456 MATOUZFXXWUMGM-INIZCTEOSA-N 437.359 5.663 30 10 IKEE CC1(C)OB(/C=C/c2ccc(N[C@@H]3C[C@@H]4C[C@@H](OCc5ccccc5)C[C@@H]43)nc2)OC1(C)C 2365063290 XFXYPNYSXUYUEV-HAPNSICMSA-N 446.400 5.522 30 10 IKEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3nc4ccccc4o3)c2C#N)C1 14067313 HMRQUVOVIRORPI-AWEZNQCLSA-N 439.606 6.033 30 10 IKEE COc1ccc(C(=O)C[C@H]2S/C(=N\c3ccccc3C)N(c3ccccc3C)C2=O)cc1 15055271 ONBUMALGHNFBDT-IHZKLZTASA-N 444.556 5.721 30 10 IKEE CC(C)[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2nc(SCc3ccc(Cl)cc3)[nH]c(=O)c21 20134459 CVHNDELSLUPQBT-QGZVFWFLSA-N 444.000 5.524 30 10 IKEE CC/C(=N\Nc1nc(SCc2nnc(-c3ccc(Cl)cc3)o2)n[nH]1)c1ccccc1 20835371 RWSVXWYMLFJWAE-XQNSMLJCSA-N 439.932 5.027 30 10 IKEE CC[C@@H](C)Oc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 21257914 RDMIUSADMAGBOC-GUDDLILSSA-N 438.571 6.843 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@H]2c1cccc(Oc2ccccc2)c1 24543980 SAZSFFYOJFOQRI-MUUNZHRXSA-N 445.562 7.833 30 10 IKEE Cc1c(Cl)cccc1-c1ccc(/C=C2/S/C(=N\c3cccc(Cl)c3)NC2=O)o1 33348160 VTEIFAQAWSKGIB-YBFXNURJSA-N 429.328 6.453 30 10 IKEE O=C1/C(=C/c2ccccc2Br)Oc2cc(OCc3ccccc3Cl)ccc21 33350851 XNQCZNHEHRXBSP-NHDPSOOVSA-N 441.708 6.298 30 10 IKEE COc1ccc(OC)c(/C=C\C(=O)c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)c1 33409606 UFYBMNAMROTYCB-WQLSENKSSA-N 445.902 5.762 30 10 IKEE O=C(/C=C/c1ccc(OS(=O)(=O)c2cc(Cl)ccc2Cl)cc1)c1ccccc1 38198376 XXGSRDUICMHAEF-MDWZMJQESA-N 433.312 5.657 30 10 IKEE Cc1cc(C)c(-c2nn(-c3ccccc3)cc2/C=C2\Oc3ccc(Cl)cc3C2=O)c(C)c1 39842453 GVEFSJXCUCEEHF-CFRMEGHHSA-N 440.930 6.734 30 10 IKEE Cc1ccc(-n2c(C)cc3c2CC(C)(C)C/C3=N\OC(=O)c2ccccc2Cl)cc1C 39853130 HUHPSFNKSPRRIL-WEMUOSSPSA-N 434.967 6.589 30 10 IKEE C=CCOc1ccc(/C=C2\S/C(=N/c3ccncc3Cl)N(c3ccccc3)C2=O)cc1 39864535 KSDHBJFBDSGCBA-LSQRUIRXSA-N 447.947 6.108 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2)[C@H]1c1cccc(OCCC)c1 40077806 YZNVWSOSGXATNU-HSZRJFAPSA-N 437.536 5.253 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(OCCC)cc1 40085418 OIOOJQPQKKYIRG-QHCPKHFHSA-N 437.536 5.171 30 10 IKEE CCCCCCCCCCCCCCCCCCCCCCCc1cc(O)cc(OC)c1 70454362 YUUVODVQILHYOV-UHFFFAOYSA-N 446.760 10.155 30 10 IKEE biogenic,in-vitro CC(C)c1ccc(OCc2ccc(/C=C\C(=O)c3ccc(Cc4ccccc4)s3)o2)cc1 96576930 KKQTWSYDITWKDE-PEZBUJJGSA-N 442.580 7.530 30 10 IKEE CCCCCCCOc1cccc(NC(=O)CNc2cccc(OCCC(C)C)c2)c1 100083527 QKGJKJMXWYOHAE-UHFFFAOYSA-N 426.601 6.511 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 100154272 PPPASNYMJZXWFD-UHFFFAOYSA-N 429.542 5.379 30 10 IKEE CCOc1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(C)c(Cl)c3)CC(=O)N2CC)cc1 100242586 OIMHTPWAOIIFDX-NWIBBQCFSA-N 445.972 5.027 30 10 IKEE CCCCCCCOc1cccc(NC(=S)NC(=O)c2ccccc2OC(C)C)c1 100246819 YLKWTCJKVODVCT-UHFFFAOYSA-N 428.598 5.950 30 10 IKEE CN1C(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)S/C1=N/c1cccnc1 101124608 OCMIFFRBHSMYSY-DISDYRDVSA-N 435.936 5.548 30 10 IKEE O=C(/C=C\Nc1cccc(Oc2ccc(N/C=C/C(=O)C(F)(F)F)cc2)c1)C(F)(F)F 102429145 BVCVSVJXLFKRJQ-GOOGBFEESA-N 444.331 5.593 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1c(Cl)cccc1Cl 135879730 BGTPTPMSYVOVDU-KSEXSDGBSA-N 439.799 6.365 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(OC)cc2)cc1 169925423 QDGOLQNMYBMNFL-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccc(O)cc2)c1 169958888 ZLDSZPYZJQEZFT-DEOSSOPVSA-N 427.500 5.409 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@@H]2c2ccncc2)cc1 170017222 MWSJSCJGGWYTRY-HSZRJFAPSA-N 442.515 5.171 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)C)cc2)[C@@H]1c1ccccc1 170048636 FOZQFYRACVXSPB-XMMPIXPASA-N 427.500 5.602 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(Cl)cc1)c1cccc2ccccc12 170059776 ICRBQLDDVFAXDH-XMMPIXPASA-N 445.946 6.404 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2c[nH]c3ccccc23)ccc1F 170074846 WASVTCZYLKQDEQ-HSZRJFAPSA-N 442.446 5.104 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(C)c2)cc1C(C)C 170143886 MYNAQDJEGNEZJS-XMMPIXPASA-N 445.515 5.499 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2cccs2)cc1 170158854 IHWBDTAPKHUAMI-QFIPXVFZSA-N 433.529 5.547 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@@H]1c1ccccn1 170170110 SUOLNLMRJCQZKP-HSZRJFAPSA-N 442.515 5.107 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccn2)cc1C(C)C 170173010 CCYQIPZHOOUKCV-XMMPIXPASA-N 442.515 5.387 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccnc2)cc1C(C)C 170183131 PDDVKPHZFJWYRN-JOCHJYFZSA-N 448.544 5.054 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccccc2)cc1 170223135 WVQNZPPDUKYEST-HSZRJFAPSA-N 449.453 5.535 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@@H]1c1ccccc1 170225942 NLXWNNWSZYEJSW-XMMPIXPASA-N 443.499 5.104 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccccc1)c1ccc2c(c1)CCCC2 170226488 XNDNKCBYLKCMSC-XMMPIXPASA-N 443.930 6.002 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(Cl)cc1)c1ccc2c(c1)CCO2 170235309 YIRCCKHZEGDRFW-QFIPXVFZSA-N 431.875 5.058 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@H]1c1ccc(F)cc1 170243751 NGIJVQZMLSBCSH-OAQYLSRUSA-N 425.500 5.220 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(C(C)C)cc1 170244734 MOXRDDZDENZWPG-RUZDIDTESA-N 443.543 5.578 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccc(C(C)C)cc1 170245682 IHPRGVIGYNKITA-QFIPXVFZSA-N 433.504 5.553 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2F)cc1C 170249211 XGTBWQMGUYBKHY-DEOSSOPVSA-N 445.490 5.706 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@H]1c1c[nH]c2ccccc12 170255372 UZGMSLDHJRARDH-OAQYLSRUSA-N 438.911 5.208 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccco2)cc1C(C)C 170282639 YNOUIWBPAGAHSO-XMMPIXPASA-N 445.515 5.811 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccncc2)=C(O)C(=O)N1c1ccc(C(F)(F)F)cc1 170399607 JHWQGNDVXSYNSD-FQEVSTJZSA-N 438.405 5.192 30 10 IKEE CCCCCCCCCCCC[C@@H](O)c1cc(Br)c(Br)s1 229286810 HXNKTTWHPQEOKE-OAHLLOKOSA-N 440.285 7.618 30 10 IKEE C=CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)SC1=Nc1ccc([N+](=O)[O-])cc1 252609018 HPFLMCQXCXPFDO-GQOJFKQTSA-N 438.534 5.145 30 10 IKEE COc1ccccc1C=Nc1ccc(Cc2ccc(N=Cc3ccccc3OC)cc2)cc1 254458856 XDCSJIINVFSPAY-UHFFFAOYSA-N 434.539 6.796 30 10 IKEE C[C@H](NC(=O)CSc1nc2ccc(N=Cc3ccccc3O)cc2s1)c1ccccc1 254700655 JDVSIHZJXICDCV-INIZCTEOSA-N 447.585 5.722 30 10 IKEE CC(=NOCc1cccc(F)c1)c1cc(-c2ccc(F)cc2)n(-c2cccc(C)c2)c1C 254826828 OJOHSUKQPKSHQM-UHFFFAOYSA-N 430.498 6.980 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3Cl)[C@H]2c2ccc(O)cc2)cc1 526489931 LAJXVFRYMYGEKC-OAQYLSRUSA-N 437.282 5.628 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526518171 XBWSSUWWNRTDJY-HSZRJFAPSA-N 429.545 5.523 30 10 IKEE N#Cc1ccc(NC2=C(Sc3ccc(Cl)cc3)C(=O)N(c3ccc(F)cc3)C2=O)cc1 526662901 CSSUYSYKYATAOB-UHFFFAOYSA-N 449.894 5.340 30 10 IKEE C=CCN(CC=C)C(=O)Nc1ccc(C(=O)OCc2ccc(CN(CC)CC)cc2)cc1 586675279 IQAQNEHGRITKMB-UHFFFAOYSA-N 435.568 5.091 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCCC12CCOCC2 698481469 HIZRBKLILAHKDW-OAQYLSRUSA-N 435.362 5.434 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@@H](C#N)c1cc(Cl)ccc1Br 698816739 CUXVMCRHKZJPFQ-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE C[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)CCN1C(=O)OC(C)(C)C 698881199 HQBVWQZWGOADPS-UUOWRZLLSA-N 435.609 5.628 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@@]1(C#N)CCc2cc(Br)ccc21 698889043 FEHTWHAFLNOSJT-OAQYLSRUSA-N 431.305 5.695 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 724066577 CPEOPHDLVICVPL-KOSHJBKYSA-N 429.561 5.324 30 10 IKEE C[C@H]1CC[C@H]2C(C)(C)[C@@]2([S@@+]([C@@]23C[C@H](C)CC[C@@H]2C3(C)C)[C@]23C[C@H](C)CC[C@@H]2C3(C)C)C1 1082709459 RGSZMTQAHFQKSE-FPUADEABSA-N 443.805 8.249 30 10 IKEE CCOc1ccc(-c2ccc(/C=C\C(=O)n3cc(C#N)c4ccccc43)o2)c([N+](=O)[O-])c1 1084067649 FYTKXBWEWGJMRP-XFXZXTDPSA-N 427.416 5.433 30 10 IKEE CCCC[C@@H](CC)OC(=O)CSc1n[nH]c(NN=Cc2cccc(Cl)c2Cl)n1 1084334409 DSHILXAYSYMHBW-CYBMUJFWSA-N 444.388 5.162 30 10 IKEE C=CC[C@@H](Cn1c(C(C)C)nnc1N(C)Cc1nc(O)c2sccc2n1)c1ccccc1 1286678447 XDKIVAFOISEFHM-SFHVURJKSA-N 448.596 5.108 30 10 IKEE C=C1S/C(=N/c2ccccc2Cl)N(c2nc(Cl)nc(Cl)n2)C1(CC)CC 1615950106 UOQDYANQMOCYDI-LTGZKZEYSA-N 428.776 6.145 30 10 IKEE C=CC[C@H]1N(C(=O)CSCc2nc(O)c3c4c(sc3n2)CCCC4)CCCC1(C)C 1635423394 WWIRTQQJPQSYGS-QGZVFWFLSA-N 445.654 5.102 30 10 IKEE Cc1ccc(-n2cc(/C=N\NC(=S)Nc3cc(C)cc(C)c3)c(-c3ccccc3)n2)cc1 1857812038 PGKSIVYTLYMMGC-YUMHPJSZSA-N 439.588 5.785 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)/C=C/c1ccc(Cl)cc1 1861104296 UOJIXWVIEOMAQR-RDPWEWGOSA-N 425.038 5.068 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2ccc(OCC)cc2)cc1 1862393368 UPUCCYSRMLLLAA-HOYKHHGWSA-N 435.564 5.805 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc(OCC)cc2)cc1 1862393388 VAAYOQCXFLURIT-RUZDIDTESA-N 449.591 6.052 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2cccnc2)cc1 1862432405 DFPOSBSISDVTMM-QHCPKHFHSA-N 446.934 5.637 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 1862481433 FUKYHNBAWSKHLI-FQEVSTJZSA-N 430.331 5.823 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2cccc([N+](=O)[O-])c2)c1 1862491776 BOKCNRHXLZXIRG-OAOOKAIFSA-N 448.519 5.369 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cccc(F)c1 1862501658 HXQDXGYPUIOIJW-HSZRJFAPSA-N 441.518 6.212 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc(Br)cc2)ccc1F 1862511469 LLSSYLWPSKSMFE-IBGZPJMESA-N 446.316 5.131 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(OCc2ccccc2)cc1 1862511568 FIEPAIWLJPTQRS-DEOSSOPVSA-N 445.490 5.311 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc2cc[nH]c2c1 1862535466 ZZWFHBXWSHBHNH-DEOSSOPVSA-N 430.548 5.889 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCC(C)C)cc1 1862548688 YECRPKRGOFBKGG-RUZDIDTESA-N 431.576 5.752 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCCc2ccccc2)[C@H]1c1cccc(O)c1)c1ccc(F)cc1 1862674874 WLCSCEVRKKVAHY-DEOSSOPVSA-N 445.490 5.133 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc(C)c1 1862687864 QRYRKSPDXGEPCD-QPPBQGQZSA-N 435.564 5.941 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1cccc(F)c1)c1ccc2ccccc2c1 1862715937 UTEWSACONDUVQN-VWLOTQADSA-N 437.470 5.757 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccccc2)=C(c2cccc3ccccc23)C1=O 1863583747 MLXBUXWJDPRKSM-UHFFFAOYSA-N 440.587 6.070 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCC(C)C)=C(c2c[nH]c3ccccc23)C1=O 1863816977 MRIXIDDOGADASK-UHFFFAOYSA-N 437.628 6.024 30 10 IKEE CC[C@@H](NC(=O)[C@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866989866 FVJNSQVVTBKVNC-UXHICEINSA-N 432.351 5.138 30 10 IKEE CCCCCCOc1ccc(C(=O)N[C@](C)(CC)C(=O)N[C@@H](C#N)c2ccc(C)cc2)cc1 1867569635 SCHXGWLBWLRTTH-RPLLCQBOSA-N 449.595 5.234 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N2CCCCCC2)nn1-c1cccc(Cl)c1 1869996367 QUARCVCSFSODER-UHFFFAOYSA-N 432.012 5.990 30 10 IKEE C=CCOc1cn(CCCCC)c(CN(Cc2ccccc2)Cc2ccccc2)cc1=O 1870385727 KCDQFEUGLDTLGA-UHFFFAOYSA-N 430.592 5.806 30 10 IKEE CCCCCCCOc1cn(CC(C)C)c(CN(CC)CCc2ccncc2)cc1=O 1870409416 RMQDPKPEKCBBLW-UHFFFAOYSA-N 427.633 5.313 30 10 IKEE CCCCCCCCn1cc(OCCCc2ccccc2)c(=O)cc1CN(C)CCCC 1870688032 JCHDOGKZGIVHTB-UHFFFAOYSA-N 440.672 6.452 30 10 IKEE C=CCOc1cn(CCc2ccc(OC)cc2)c(CNc2ccc(C)c(Cl)c2)cc1=O 1870810600 JVCVXNNPYZDACB-UHFFFAOYSA-N 438.955 5.238 30 10 IKEE C=CCOc1cn(CCCCCCCCCC)c(CNc2cccc(OC)c2)cc1=O 1870812831 LAOYRRLZLQJRCR-UHFFFAOYSA-N 426.601 6.175 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O)c1cccc(Br)c1 1871364828 VIFXDPBCSIFKKJ-LBFMHVHASA-N 447.284 5.841 30 10 IKEE Cc1cc(OC(=O)CCOc2ccccc2)cc2c1C(=O)/C(=C/c1cccc(Cl)c1)O2 1871384426 RBUMGRRHTSUANZ-HMAPJEAMSA-N 434.875 5.639 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871410629 GCXAIZTWEHSDDR-DNPFKWNUSA-N 447.918 5.925 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OCCOc3ccc(Cl)cc3)cc(C)c2C1=O 1871412796 FAELUXDHIGBCPA-UCQKPKSFSA-N 436.891 5.731 30 10 IKEE Cc1cc(OCc2ccc(C(=O)OC(C)C)cc2)cc2c1C(=O)/C(=C/c1cccs1)O2 1871414566 NHEFLZYPARJXQU-XKZIYDEJSA-N 434.513 5.817 30 10 IKEE Cc1c(OCC(=O)NCc2ccco2)ccc2c1O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 1871445331 RGTDYUJZFIKKSY-UCQKPKSFSA-N 445.515 5.197 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2sccc2C)C3=O)c1 1871460582 UOHLEBLMQZMJJZ-MTJSOVHGSA-N 433.529 5.615 30 10 IKEE CCCCCCCCN=c1nc(N2CCCC2)[nH]c(=Nc2ccc(Cl)c(Cl)c2)[nH]1 1871486065 AICONFLIRSUUIB-UHFFFAOYSA-N 437.419 5.138 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(C(F)(F)F)cc2)[nH]c(N(C)C)n1 1871684486 UUBSVZOHBOBKBZ-UHFFFAOYSA-N 438.542 5.675 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 1872412343 JQEPRQUJQOITPU-OAQYLSRUSA-N 434.989 5.023 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3C)n2)cc1OCCC 1872765948 ADZFDNJVIBOXFZ-FQEVSTJZSA-N 434.561 6.186 30 10 IKEE N#C[C@@H](C(=O)COc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872769246 NFLFXACVOSPZFZ-AWEZNQCLSA-N 437.735 6.026 30 10 IKEE COc1ccc(C)cc1-c1csc([C@H](C#N)C(=O)[C@@H](C)Oc2ccccc2C(C)C)n1 1872771148 NDOVEXFDYNQGFZ-YLJYHZDGSA-N 434.561 5.894 30 10 IKEE Cc1ccc(N2C(=O)c3ccc(C(=O)[C@H](C#N)c4nc(C(C)C)cs4)cc3C2=O)c(C)c1 1872774405 PZGDLJRWKXQIIA-IBGZPJMESA-N 443.528 5.174 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@H](C#N)C(=O)Cc2ccc(Cl)c(Cl)c2)n1 1872780915 NGVXMJAUWZNICW-MRXNPFEDSA-N 445.371 6.161 30 10 IKEE N#C[C@H](C(=O)C(c1ccccc1)c1ccccc1)c1nc(-c2ccc(Cl)s2)cs1 1872789779 UYNXYMNXBSZQRQ-QGZVFWFLSA-N 434.973 6.533 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(-c3ccccc3)cc2)C(=O)N(C(C)C)C1=O 1873086168 ZCQAGQHQDNWTRH-UHFFFAOYSA-N 446.635 6.572 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)Nc1cccc(Cl)c1C)n2Cc1ccccc1 1873612716 JVPYEWPZHUSUOT-UHFFFAOYSA-N 431.927 5.292 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)cc2c(N(C)Cc3ccccc3)ncnc21 1873660515 LWUZWCSHJXHRSU-UHFFFAOYSA-N 425.536 5.123 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1/N=C/c1ccccc1C 1874195952 MYZSLBWZQJGEIJ-ZXVVBBHZSA-N 448.636 6.056 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccc(F)cc1F 1874230304 CLUXSITVMPJONJ-KIBLKLHPSA-N 448.926 5.648 30 10 IKEE CCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccc(OC)c(O)c1 1874245032 UWIBDILNSGWFFI-MFKUBSTISA-N 440.613 5.136 30 10 IKEE Fc1ccc(/C=N/n2c(COCc3ccccc3)nnc2SCCc2ccccc2)cc1 1874355675 VZYTXIJFNBKWGZ-WPWMEQJKSA-N 446.551 5.351 30 10 IKEE CCCSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1ccc(OCC)c(OCC)c1 1874390306 GTWPBMSTRQDHNQ-KOEQRZSOSA-N 438.597 5.359 30 10 IKEE Clc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCCc2ccccc2)cc1 1874403641 KJLUPPQZWCYOGB-ZXVVBBHZSA-N 447.007 5.934 30 10 IKEE CC(C)c1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 1874415824 JPFKUJKJKXPTHE-OGLMXYFKSA-N 444.579 6.306 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2ccccc2F)cc1 1874417339 IJAZSCKRNHSAIO-MFKUBSTISA-N 447.495 5.091 30 10 IKEE Clc1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2ccco2)c(Cl)c1 1874424725 ZYVUPGYPAGLOFG-UFFVCSGVSA-N 435.361 6.081 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCc3ccccc3)nnc2[C@@H]2CCCO2)cc1 1874445789 KSFVIMHXRYRPEL-ALAMRGAJSA-N 435.597 5.150 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccco2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874464309 CBMNEOWEIPFSKQ-WYMPLXKRSA-N 443.359 6.328 30 10 IKEE COc1cc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CCC2)ccc1O 1874495868 JSOFNFMYAIZPDH-FSJBWODESA-N 428.945 5.088 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(C)cc2)c1OCC(=O)Nc1ccccc1 1874579301 HGHLWWUIRYKYPW-OUKQBFOZSA-N 435.907 5.571 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OCc3nc(O)c4ccccc4n3)c2)cc1 1874593630 TUYREYVJRUSVRW-SAPNQHFASA-N 438.527 6.153 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3ccc(C)cc3)c2)cc1 1874595408 JTWLMOOZBRCXRV-VIZOYTHASA-N 445.515 5.316 30 10 IKEE Cc1ccc(C)c(COc2ccc(/C=C/C(=O)c3ccc4ccccc4c3)cc2Cl)c1 1874602246 BOJBCDYTKOPFRR-UKTHLTGXSA-N 426.943 7.585 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OCc3cccc4ccccc34)c([N+](=O)[O-])c2)c1 1874605350 MTCGUXGNDBWXJO-WYMLVPIESA-N 439.467 6.232 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(OC)c1OCc1ccc(F)cc1 1874614803 ZNCDXAQTZDRERN-VGOFMYFVSA-N 436.910 6.691 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1)Nc1nccs1 1874615640 IZBRCLHFNZBALW-FPYGCLRLSA-N 433.316 5.364 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OCCc3ccccc3)c(Br)c2)c1 1874618262 RKXYZPSRBIMJPI-ZRDIBKRKSA-N 435.361 6.584 30 10 IKEE Cc1cccc(COc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2Br)c1 1874631780 UJJHDGPIZXYOQI-DHZHZOJOSA-N 435.361 6.849 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(C)c3)c(OC)c2)c(OCC)c1 1874634477 DSPXFMWGJKNZDE-GXDHUFHOSA-N 446.543 6.276 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OCC(=O)Nc1ccccc1 1874635022 DDRVVLWPIIUZAR-ZRDIBKRKSA-N 429.516 5.534 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCCc3ccccc3)c(Cl)c2)cc1Cl 1874635926 AFUBDRHKXURPJW-JXMROGBWSA-N 427.327 6.520 30 10 IKEE CCc1ccc(CCC(=O)Oc2cc(/C=C/C(=O)c3ccc(C)cc3)ccc2OC)cc1 1874702819 LKYWLVIAEHNQQV-LFIBNONCSA-N 428.528 6.000 30 10 IKEE CN(C)c1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(Cl)c(Cl)c3)c2)cc1 1874702899 OWWWCNSZDZUBNO-AWNIVKPZSA-N 440.326 6.175 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cccc(OC(=O)c2cccc(Cl)c2)c1 1874715379 QQBINVOYQALYLT-MDZDMXLPSA-N 441.310 6.426 30 10 IKEE COc1ccccc1OCC(=O)Oc1cccc(/C=C/C(=O)c2c(C)cc(C)cc2C)c1 1874716516 WBWAKPOYZYJWPN-OUKQBFOZSA-N 430.500 5.501 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OC(=O)CCCSC 1875085167 SCWINPSPOBROHO-CMDGGOBGSA-N 449.912 5.202 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3cccc(C)c3C)cc2)cc1OC 1875098449 BBIGDDPNDRQCCR-GXDHUFHOSA-N 446.499 5.201 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc(CC)cc1 1875110319 FWNDGDMBMVLTEB-RVDMUPIBSA-N 434.919 6.416 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OC(=O)Cc1ccccc1F 1875113018 QNKBTYBCTKLZJK-RIYZIHGNSA-N 434.463 5.277 30 10 IKEE C[C@@H](C(=O)Oc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1Cl)c1ccccc1 1875121201 DYFYIMFVBJIOSR-YBHKSSGVSA-N 425.311 6.599 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)cc2Cl)cc1 1875168403 ATPJVJHQZOCRAW-XYOKQWHBSA-N 432.947 6.997 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)c3ccco3)c(Cl)c2)c1 1875172468 VUKBTRXJFFGHTH-JXMROGBWSA-N 440.879 5.846 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)COCc1ccccc1 1875176921 RHRIFEPDSQGUMK-SDNWHVSQSA-N 444.527 5.720 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 1875184840 TWEFEPMQJVZNPW-CSKARUKUSA-N 445.471 5.644 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3C)c(OC)c2)cc1Cl 1875186038 AWZXDUZRQSVFMK-DHZHZOJOSA-N 436.891 5.781 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3sccc3C)c(Cl)c2)cc1Cl 1875187031 KGBQWAJJPFFZNC-ZZXKWVIFSA-N 447.339 6.487 30 10 IKEE CC1(C)CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Br)c2)[C@@H](CN)C1 1927161136 QKCAJWGMXAFLRD-VFNWGFHPSA-N 436.394 5.238 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)C[C@H]1CC(C)C 1944819609 JNGVYIFADIGLED-XLNZFTOWSA-N 437.625 5.587 30 10 IKEE C[C@@H]1CN(Cc2ccccc2)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 1949313808 MXZVXPJPHRGGNR-RLWLMLJZSA-N 425.617 5.751 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1991928585 UKLWVRHBZFVEBX-MSOLQXFVSA-N 435.952 5.373 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@@]1(C#N)CCN(Cc2ccccc2)C2(CC2)C1 2042190261 ORQWGBBZZFRWAS-SANMLTNESA-N 435.543 5.658 30 10 IKEE CC(C)[C@@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)(F)F)c(C(N)=O)c1Cl 2080047376 DJNRIDQOBUFVHE-NSHDSACASA-N 431.739 5.058 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Br)c(Cl)cc1C 2082749308 RBJYWABHMXOCRZ-AWEZNQCLSA-N 431.758 5.209 30 10 IKEE C=CCCCCCC[C@H](NCCC)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2085848259 XYXLCXSLSZXSOX-LOSJGSFVSA-N 445.692 5.907 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Cl)c(Br)c1F 2102883493 AZCFNZWHLNQQNL-RHSMWYFYSA-N 447.776 5.199 30 10 IKEE C[C@@H](C[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1)C(F)(F)F 2121446083 WVMPERGZQPHKSP-YVEFUNNKSA-N 435.284 6.061 30 10 IKEE C=CCCCCCC[C@@H](NC)c1ccc(Br)cc1I 2142287202 BKPMXGTUTDCZHP-MRXNPFEDSA-N 436.175 5.841 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)C1(C#N)CC2(CCC(N)CC2)C1 2176714214 KOOMCIICXAGCLK-UHFFFAOYSA-N 434.378 5.134 30 10 IKEE CC#CCCCC[C@H](NCCC)c1cc(Br)ccc1I 2196172528 UNSINFGGQWJCPM-KRWDZBQOSA-N 448.186 5.678 30 10 IKEE COc1cccc(F)c1[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2203462954 TVMBQEBTOUPXSK-INIZCTEOSA-N 435.293 5.603 30 10 IKEE Cc1sc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)c(C)c1Br 2226504530 XQHWFZKQIILRFG-OAHLLOKOSA-N 439.350 6.273 30 10 IKEE Cc1ccc(C#C[C@@H](N)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1 2231154707 VPUFJJSNMPXDEE-MUUNZHRXSA-N 433.551 6.205 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)CCCCCN(C)C(=O)OC(C)(C)C 2235716335 FLVXEKCZBDJDTM-LJQANCHMSA-N 437.422 5.206 30 10 IKEE C[C@H](CC1CCN(c2c(Br)cccc2C#N)CC1)N(C)C(=O)OC(C)(C)C 2285187961 KYNGIZUEJWJELJ-OAHLLOKOSA-N 436.394 5.183 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2c(Br)cccc2C#N)C[C@H]1C(F)(F)F 2285241801 SLYWFFDQFCKZGR-OCCSQVGLSA-N 448.283 5.063 30 10 IKEE CN[C@@H](C#Cc1ccc(Br)cc1)c1cc(C)ccc1NC(=O)OC(C)(C)C 2296289881 WRTVWPLRTBMDIW-IBGZPJMESA-N 429.358 5.417 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC 2296290760 HIPOVXGZYULYQA-VDGAXYAQSA-N 437.422 5.108 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@H](NC(=O)OC(C)(C)C)[C@H](C)CC 2296298148 HIPOVXGZYULYQA-NSISKUIASA-N 437.422 5.108 30 10 IKEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 2304197090 YSUIECASQJHNMF-MFEFFIJZSA-N 449.617 5.413 30 10 IKEE CCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2Oc3ccc(C)cc3C2=O)cc1 2314519665 XNUARAJNTHVMJF-UHFFFAOYSA-N 438.552 6.576 30 10 IKEE CCc1nnc(SCc2ccccc2Cl)n1N=Cc1cccc(OCC(C)C)c1 2318571101 CEKFVEWTLGAQKL-UHFFFAOYSA-N 428.989 5.703 30 10 IKEE COc1ccc2[nH]cc(C=Nn3c(SCc4ccc(Cl)cc4)nnc3C(C)C)c2c1 2321836152 MBDINMHQKVDMBU-UHFFFAOYSA-N 439.972 5.719 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O3)CN(Cc1ccco1)CO2 2321962560 MZTPDUFCNIHCIE-UHFFFAOYSA-N 442.298 5.863 30 10 IKEE CCOc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(C2CCCCCCC2)C4)cc1 2322183647 AYPFOJXNPGOKBY-UHFFFAOYSA-N 447.575 6.275 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccccc1F)C3=O)CN(CCc1ccc(Cl)cc1)CO2 2322286635 XPHZBPOFJYROIO-UHFFFAOYSA-N 449.909 5.798 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc3ccccc3c2)c1OCc1cccc(C)c1 2322321620 DCBPUTHAWVOGNZ-UHFFFAOYSA-N 442.942 7.285 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCc3ccccc3F)ccc3ccccc23)cc1C 2322415335 JABGSFHDPNZCMI-UHFFFAOYSA-N 426.487 6.771 30 10 IKEE CCOc1ccc(OCC(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(C)c2)C3=O)cc1 2323076296 FJXXNMJYIYDGAC-UHFFFAOYSA-N 444.483 5.303 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1OCC(=O)Nc1ccc(C)cc1 2323106046 RGKRFLDEBUKYBP-UHFFFAOYSA-N 437.442 5.195 30 10 IKEE Cc1cc(OC(=O)C=Cc2ccco2)cc2c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O2 2323169035 YVQRWYVTJVPIHO-UHFFFAOYSA-N 428.484 6.121 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OC)c(OCCCO)c2)cc1 2323222914 GVTPZFRFBNRYJY-UHFFFAOYSA-N 426.553 5.702 30 10 IKEE COC(=O)c1ccc(COc2cccc(C=CC(=O)c3cc(C(C)(C)C)ccc3OC)c2)o1 2323230131 NEXHAUATEYHEPC-UHFFFAOYSA-N 448.515 5.847 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2cccc(OCc3ccc(Cl)cc3)c2)cc1Cl 2323306874 YWHLQYAEHSWENC-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)ccc1OCC(=O)Nc1cccc(C)c1 2323481646 NQXVHQJLTNYIRS-UHFFFAOYSA-N 443.543 5.870 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(CC)cc2)cc(OC)c1OCc1ccc(F)cc1 2323482781 IDRXDMUNNYLXQM-UHFFFAOYSA-N 430.519 6.600 30 10 IKEE CC(C)COc1c(Cl)cc(C=Nn2c(S)nnc2-c2cccs2)cc1Cl 2323532253 BIFVAYNEENWGAW-UHFFFAOYSA-N 427.382 5.519 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)CC1 2323650918 LNCUUYRHMGUKCV-UHFFFAOYSA-N 438.951 6.858 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2sccc2C)C3=O)cc1 2323889720 QVWXQSFNRCXKKU-UHFFFAOYSA-N 448.496 5.516 30 10 IKEE Cc1c(OCC(=O)OCc2ccccc2)ccc2c1OC(=Cc1ccc(C(C)C)cc1)C2=O 2324233735 RNZJLWAKIBYRIX-UHFFFAOYSA-N 442.511 5.857 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3nc(O)c4ccccc4n3)cc2)c(C)c1C 2324295005 HAZIUUORJUQDME-UHFFFAOYSA-N 440.499 5.436 30 10 IKEE CCCOc1c(Cl)cc(C=CC(=O)c2cc(OC)c(Cl)cc2OC)cc1OC 2324405563 PPRFYSNGPOPEME-UHFFFAOYSA-N 425.308 5.704 30 10 IKEE CCn1cc(C=C2Oc3cc(OCCOc4cccc(C)c4)ccc3C2=O)c2ccccc21 2324527526 HIHPPSKKGMHDEY-UHFFFAOYSA-N 439.511 6.044 30 10 IKEE O=C1C(=Cc2c(F)cccc2Cl)Oc2cc(OCCOc3ccc(Cl)cc3)ccc21 2324665787 AYIJISWLXDFLSD-UHFFFAOYSA-N 445.273 6.207 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(ccc(OCC(=O)OCC(C)C)c3C)C2=O)cc1 2325068624 OHEIAEBYETUYJB-UHFFFAOYSA-N 437.536 5.035 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCc4c(Cl)ccc(Cl)c4Cl)c3C)C2=O)o1 2325180151 BTBGGGFOASQZSZ-UHFFFAOYSA-N 449.717 7.052 30 10 IKEE CCCCCCCCCOc1ccc2c(c1C)OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2325195951 CSCDXBBHZPVSBV-UHFFFAOYSA-N 434.620 8.038 30 10 IKEE COc1cc(C=Nn2c(C)nnc2SCc2cccc3ccccc23)cc(Cl)c1O 2325631743 SELZBAMQISRQTE-UHFFFAOYSA-N 438.940 5.282 30 10 IKEE CCCOc1ccc(C=CC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OC 2325649172 OWHCCVOPFPOTGF-UHFFFAOYSA-N 441.833 5.377 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OC(=O)c1ccc(C(F)(F)F)cc1 2325737820 LXGJSNJHDVKPSP-UHFFFAOYSA-N 440.417 6.138 30 10 IKEE O=C(Cc1ccc(Cl)c(Cl)c1)Oc1cccc(C=CC(=O)c2ccc(F)cc2)c1 2325751261 ZMHHMVBQAGJZOR-UHFFFAOYSA-N 429.274 6.177 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cccnc3)c2)c1 2325757893 BHHZSZMMDZYRBO-UHFFFAOYSA-N 447.487 5.003 30 10 IKEE CCSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1cccc(O)c1 2325883458 GFYURPYHPXOCRB-UHFFFAOYSA-N 432.549 5.143 30 10 IKEE CCSc1nnc(CCc2ccc(OC)c(OC)c2)n1N=Cc1cccc2ccccc12 2326189309 OTAPLUBRYYRQMU-UHFFFAOYSA-N 446.576 5.228 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1c(Cl)cccc1Cl 2326458378 KPPPGAQALXKVFD-UHFFFAOYSA-N 447.435 6.719 30 10 IKEE C=CCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1cccc(Cl)c1 2326608021 QDTRULZBDSXESA-UHFFFAOYSA-N 432.980 6.030 30 10 IKEE CCc1nnc(SCc2cccc(F)c2)n1N=Cc1cc(Cl)c(OC)c(Cl)c1 2326731230 YBLNBUBLEKZAED-UHFFFAOYSA-N 439.343 5.470 30 10 IKEE CCCSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1ccc(C(C)C)cc1 2327210908 GZPXSBYVGYOGKF-UHFFFAOYSA-N 436.625 6.106 30 10 IKEE CCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(OC)c(OC)c1 2327734930 CNBPQFARLZAXOM-UHFFFAOYSA-N 432.549 5.034 30 10 IKEE Fc1ccccc1C=Nn1c(CCCOc2ccccc2)nnc1SCc1ccccc1 2328745075 HRLOHXGCOOYWGR-UHFFFAOYSA-N 446.551 5.603 30 10 IKEE Cc1ccc(C=Nn2c(CCc3ccc(C)c(C)c3)nnc2SCc2ccccc2)cc1 2328945604 GVLHMKPURCZFEH-UHFFFAOYSA-N 440.616 6.163 30 10 IKEE CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(OCc2ccc(C)cc2)cc1 2329523147 MCCYLMCYKUDTFF-UHFFFAOYSA-N 448.979 6.090 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccccc3Cl)n2N=Cc2ccccc2C)cc1 2329523355 NBRBAYSSXXPLAX-UHFFFAOYSA-N 432.980 6.390 30 10 IKEE Fc1ccccc1CSc1nnc(Cc2cccs2)n1N=Cc1c[nH]c2ccccc12 2330392282 SVSPUIHUOKWJGU-UHFFFAOYSA-N 447.564 5.725 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)ccc1OC(=O)c1cccc(Cl)c1 2330765476 HWYPOXUQSSDFQT-UHFFFAOYSA-N 434.919 6.416 30 10 IKEE CCCCOc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccccc2)cc1 2330842399 FETSTLRGXUQZJS-UHFFFAOYSA-N 436.625 6.220 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2ccccc2C)c1 2331033090 FOCDBMBQESJWAV-UHFFFAOYSA-N 433.581 5.166 30 10 IKEE O=C(CC12CC3CC(CC(C3)C1)C2)Oc1ccc(C=CC(=O)c2ccccc2)cc1Cl 2331166163 UBNJSNPONYYIHS-UHFFFAOYSA-N 434.963 6.748 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc([N+](=O)[O-])c1OC(=O)c1ccccc1F 2331174442 OXKFRKVEOYDVHO-UHFFFAOYSA-N 435.407 5.248 30 10 IKEE CCCCOc1ccc(C=Nn2c(CCCC)nnc2SCc2ccccc2C)cc1 2331323063 ZREGAANBCKJRBT-UHFFFAOYSA-N 436.625 6.283 30 10 IKEE CCOc1c(C=Nn2c(CC(C)C)nnc2SCc2ccc(F)cc2)cccc1OC 2331434339 ORVUISSGECWMRU-UHFFFAOYSA-N 442.560 5.198 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC(=O)C1CCCC1 2331449178 UZDSKZRIEYTBKH-UHFFFAOYSA-N 434.488 5.144 30 10 IKEE Fc1ccccc1CSc1nnc(C2CCC2)n1N=Cc1cccc(Br)c1 2331523381 ULZJWJUHWCNCSR-UHFFFAOYSA-N 445.361 5.622 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])cc1 2331530216 JXAQGBYDCCIBMZ-UHFFFAOYSA-N 449.434 5.177 30 10 IKEE O=[N+]([O-])c1cccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CCC2)c1 2331539265 FQCLBMJOOPTEQS-UHFFFAOYSA-N 427.917 5.282 30 10 IKEE CCCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1N=Cc1cccc(Cl)c1 2331637255 ZGSWEEAELNEKOZ-UHFFFAOYSA-N 441.988 5.114 30 10 IKEE CCCc1nnc(SCCc2ccccc2)n1N=Cc1cccc(Br)c1 2331653574 DZIZTOGRCJONFW-UHFFFAOYSA-N 429.387 5.210 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CCC)nnc1SCc1cccc2ccccc12 2331659043 OYMSEMDOADXDPZ-UHFFFAOYSA-N 442.588 6.123 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2331659331 JONUBZZACVITQV-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2C(C)C)cc1OC 2331700388 HLNUGNPCSBASJX-UHFFFAOYSA-N 438.597 5.600 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(C3CC3)n2N=Cc2ccc(Cl)cc2Cl)cc1 2331735502 VSXSNNJEFSJZAR-UHFFFAOYSA-N 448.335 5.545 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1Cl 2331792935 DDQORKLUZBTSPA-UHFFFAOYSA-N 441.011 7.718 30 10 IKEE N#Cc1nnn(-c2ccc(Oc3ccccc3)cc2)c1NC(=O)C=Cc1ccccc1Cl 2332189071 ZPHULRFWCWKVGX-UHFFFAOYSA-N 441.878 5.237 30 10 IKEE Cc1ccc(/N=C2/S[C@@H](CC(=O)Nc3c(C)cccc3C)C(=O)N2Cc2ccco2)cc1 3249091 VLVDAZOIXWWVEG-WHEOYJBGSA-N 447.560 5.365 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(C(C)C)cc1)N2 14462928 CQBVXCZRZFFYER-NLJOTIRTSA-N 448.632 5.999 30 10 IKEE COc1ccc2c(c1)CC/C(=C\c1csc(N(C(C)=O)c3cccc(C)c3C)n1)C2=O 15188930 MBDMPPYGRDRUIW-XDHOZWIPSA-N 432.545 5.666 30 10 IKEE Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@H]3c2ccc(Cl)cc2)cc1 19630865 NSFXZRIULSZWTK-SIBVEZHUSA-N 439.946 6.414 30 10 IKEE CCCn1cc(CN/C(=N/C(=O)c2cccc(Cl)c2)Nc2cccc(Cl)c2)c(C)n1 32972926 JSSLSCSMAHXZJE-UHFFFAOYSA-N 444.366 5.306 30 10 IKEE N#Cc1ccc(-c2ccc(OCC(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)cc1 33581952 BZUIQHPLTDPVLZ-UHFFFAOYSA-N 432.523 5.833 30 10 IKEE COc1ccc(/C=C2\S/C(=N/c3nc(C)cs3)N(C3CCCCC3)C2=O)c(OC)c1 39865569 XNSFJNBFRQVFOE-YVQDBNNVSA-N 443.594 5.405 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccc(Cl)c(OC)c2)nnc1-c1ccc(Cl)cc1 59794955 NSLBOUNRWMMXEG-UHFFFAOYSA-N 449.363 5.177 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccccc4F)c3C)C2=O)cc1 62883613 VOOUSZKQRSXWSQ-JLPGSUDCSA-N 445.490 5.816 30 10 IKEE C=CCn1nc(SCc2ccc(F)cc2Cl)nc1-c1ccc(Br)cc1 72261560 IYLNIKMPQJCSKV-UHFFFAOYSA-N 438.753 5.978 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c(OC)ccc3ccccc13)N2 100367604 QKJBRMGKWPBSME-NHWZYIIXSA-N 441.615 8.024 30 10 IKEE CCCCCCCCCCCn1c(CNC(=O)CCc2ccccc2)nc2ccccc21 102125580 QDJRZVFCFQVEML-UHFFFAOYSA-N 433.640 6.816 30 10 IKEE CCCCCCCCn1c([C@H]2CC(=O)N(c3ccc(CCCC)cc3)C2)nc2ccccc21 102211197 NOFIRXKLVXKDBI-DEOSSOPVSA-N 445.651 7.260 30 10 IKEE CCCCCCCCCCCn1c([C@H]2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21 102213361 PFOKSHUNQUWGNF-VWLOTQADSA-N 445.651 7.083 30 10 IKEE Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1sc(-c2ccsc2)nc1C 106116634 FKPCMZOXGMDVBY-UHFFFAOYSA-N 432.530 5.800 30 10 IKEE CCCCCCCCC[C@@H](NCC)c1cc(Br)c(Br)s1 128219991 GFIPDMHMLPUYJF-CQSZACIVSA-N 425.274 7.064 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2cc(C)ccc2C)cc1 169924691 VISGHSHJPCBUHK-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(OCc3cc(C)ccc3C)cc2)NC(=S)N1 169938220 DEJJBMXMYDBYKL-RUZDIDTESA-N 442.584 5.558 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3cccs3)c(C)s2)cc(Cl)c1OC(C)C 169941915 OUXQNWOIKCPJFA-JJFYIABZSA-N 436.002 6.465 30 10 IKEE COc1ccc(-c2csc(N/N=C\c3ccc(OC(C)C)c(Cl)c3)n2)cc1OC 169942382 MFKZKHCWQMPADI-KSEXSDGBSA-N 431.945 5.714 30 10 IKEE CCCCCCCCN1C(=O)C(Sc2ccccc2)=C(c2ccc(OCC)cc2)C1=O 169993794 ZEGGCTQVHTWAQM-UHFFFAOYSA-N 437.605 6.318 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccccn2)cc1 169994916 FWTZIWPLDXWVEP-HSZRJFAPSA-N 440.455 5.009 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccncc2)cc1 170016454 AWBWZYPKTQFVOL-DEOSSOPVSA-N 426.516 5.550 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C2CCCCC2)c1 170119373 CNYBUGLVEFXYST-RUZDIDTESA-N 441.527 5.759 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccn2)ccc1Cl 170174222 VOFMZCNXMJOQKE-JOCHJYFZSA-N 448.906 5.225 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccncc1)c1ccc2ccccc2c1 170203847 GHJABZGDABNWTM-QHCPKHFHSA-N 440.886 5.671 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCC)cc1 170215681 JSVDNLDGDQELIL-DEOSSOPVSA-N 429.516 5.617 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(F)cc2)cc1Cl 170244118 TZPOIWUXUAMCHO-FQEVSTJZSA-N 429.875 5.009 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2F)ccc1OC(C)C 170250620 QQBAFYCPKSFXAW-QHCPKHFHSA-N 449.478 5.293 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@H]1c1ccco1 170282511 XYOHFYLFLIHGSM-NRFANRHFSA-N 437.879 5.341 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@H]1c1ccco1 170285809 YDWWSUDQNAUFDN-NRFANRHFSA-N 437.879 5.341 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1ccco1)c1ccc2ccccc2c1 170290932 NANLLPUQTKVNMU-QFIPXVFZSA-N 431.394 5.494 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2cccc(F)c2)o1 170299007 GJMXGHFZGGVCGF-QHCPKHFHSA-N 427.431 5.663 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1ccc(OCC(C)C)cc1 170396872 CQQDBZXSVJVOIH-VWLOTQADSA-N 441.527 5.813 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)c1 170431005 RWDIQKVEUUYCFM-IBGZPJMESA-N 443.377 5.090 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(F)cc2F)cc1 170454567 VVUSENOQCMVTJZ-NRFANRHFSA-N 442.506 5.326 30 10 IKEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3ccc(C(C)(C)C)cc3)nc2c1 170472280 LFZLAHWRVZWFLV-NRFANRHFSA-N 431.536 5.294 30 10 IKEE C=CCOc1cc(C(=O)N2CCC[C@H](c3nc4ccccc4n3CCC)C2)cc2occc12 222409216 MEINYAITULGVKR-IBGZPJMESA-N 443.547 5.777 30 10 IKEE Cc1c([C@H]2C(c3cccs3)=C(O)C(=O)N2c2ccc(C#N)cc2)c2ccccc2n1C 526488983 OIHJITBNUCGUPT-QHCPKHFHSA-N 425.513 5.477 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccccc2OC)c1 526490723 XWQPMMZKVVGRAI-XMMPIXPASA-N 426.472 5.023 30 10 IKEE CC(C)Oc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)c1 526710470 OIPBYWRRNRCCJB-HSZRJFAPSA-N 447.918 5.910 30 10 IKEE CCOc1cc(/C=N\n2c(C)nnc2SCc2cccc(C)c2)cc(Cl)c1OCC 526808694 ZYEIXLBIFHMENZ-CFRMEGHHSA-N 444.988 5.520 30 10 IKEE CCCCOc1cccc(/C=N\n2c(CCC)nnc2SCc2cccc(Cl)c2)c1 526811593 OVKYNKZRXDXNER-XYGWBWBKSA-N 443.016 6.237 30 10 IKEE CCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1cccc(Br)c1 526825257 BOZXBPZGMOCVIC-UUYOSTAYSA-N 433.350 5.307 30 10 IKEE CC(=O)c1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 586249045 HOUDHJCOULTOMR-UHFFFAOYSA-N 446.572 5.454 30 10 IKEE CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H]3[C@H](C=O)CC[C@]3(CO)CC[C@]21C 685945466 SNMSGFSVJBGSCJ-KGNFFUNDSA-N 430.673 5.620 30 10 IKEE C=CCCCCC[C@@H](NCCC)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 702455396 ARMDOKGXSZUHRB-DNQXCXABSA-N 431.665 5.516 30 10 IKEE C=CCC1([C@H](NCC)c2c(F)ccc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 722924177 WIDDMMGQAGRALR-QGZVFWFLSA-N 445.348 5.191 30 10 IKEE C[C@@H]1CC[C@]2(/N=C\c3ccccc3O)Oc3ccccc3[C@H](/N=C\c3ccccc3O)[C@@H]2C1 1084061981 OWYKDRRRWCDWCE-GXBYBCADSA-N 440.543 5.902 30 10 IKEE C=CCOC(=O)/C=C\c1cc(Br)c(OCc2ccccc2Cl)c(OC)c1 1084483958 KJPXVQNDFRDGCX-HJWRWDBZSA-N 437.717 5.433 30 10 IKEE C=CCOc1ccc(/C=C2\SC(=Nc3cccc(C)n3)N(c3ccccc3)C2=O)cc1 1772735356 GZJSRGLVJGYTHH-UECNKTLHSA-N 427.529 5.763 30 10 IKEE COc1cccc(-c2cc(C(=O)Nc3ccccc3C#N)nn2-c2ccc(Cl)cc2)c1 1859404840 NMVIDVFBRUFGTN-UHFFFAOYSA-N 428.879 5.325 30 10 IKEE C[C@@H](C1CC1)N(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)c(F)c1 1859974410 PMAPFECVHLKONF-JTQLQIEISA-N 437.330 6.448 30 10 IKEE Cc1ccc(C(=O)N2CC=C(c3ccc(OC(=O)c4cccc(C#N)c4)cc3)CC2)cc1C 1860671509 OWYCXWLUJYFQPT-UHFFFAOYSA-N 436.511 5.324 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)c1ccc(Cl)c(Cl)c1 1861051543 ZWNYJONHYFTIEO-OAQYLSRUSA-N 443.459 6.539 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1cccc(Cl)c1 1862381351 XYQAAKAULOMLMT-ZMZPIMSZSA-N 438.738 6.024 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(C(F)(F)F)cc1 1862386278 JXCWVDHNCPAURK-INIZCTEOSA-N 444.236 5.610 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOCC)[C@@H]2c2ccccc2F)cc1 1862391138 TZFIVRQXUDFZDH-HSZRJFAPSA-N 439.527 5.173 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2ccccc2)cc1 1862415132 PVKLMNMOWAIDTG-DEOSSOPVSA-N 447.481 5.867 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1cc(Cl)cc(Cl)c1 1862416639 QUVFUYBNNZCERZ-MLCYQJTMSA-N 440.273 5.648 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc(O)c1 1862431107 ZQQRYUDYDXYWDB-YFZFPPMRSA-N 425.912 5.203 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccc(C)cc2)c1 1862474689 RTOXNRJGAXYZJD-XMMPIXPASA-N 427.500 5.091 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2cccc(Cl)c2)cc1 1862476677 MYQVTSFZYCCDIO-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C34CC5CC(CC(C5)C3)C4)[C@H]2c2ccccc2)c1 1862487154 UMAAURPXEHTCSV-KYRCVXBYSA-N 441.571 5.851 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(O)cc1 1862490611 ZOQZTYAALMEPNZ-XMMPIXPASA-N 435.564 5.948 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2cccc(Cl)c2)cc1 1862490889 GIZQCLZUUXQIFG-XMMPIXPASA-N 445.946 6.044 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(Cl)c2)ccc1F 1862502791 JBACAXISCQQNTH-HXUWFJFHSA-N 425.843 5.159 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccccc2Cl)ccc1F 1862502998 NLWWXWPDUOTGAR-HJPURHCSSA-N 449.909 6.127 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)c1 1862507142 FCWQIXAIJPRPHF-MHECFPHRSA-N 429.491 5.782 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@H]2c2ccccc2C)ccc1F 1862507625 QBIMXWKKRRJGMB-QHCPKHFHSA-N 449.909 5.874 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccccc2Br)ccc1F 1862509933 SIFNBAYYNBQSMQ-LJQANCHMSA-N 446.316 5.131 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2cccc3ccccc23)cc1 1862518234 FMSSBPCMCNIBOW-RUZDIDTESA-N 443.543 5.863 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccc(F)c1)c1ccc(Cl)c(Cl)c1 1862581300 DIZDSGVBKLZIID-IBGZPJMESA-N 446.261 5.504 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(C(C)(C)C)cc2)=C(O)C(=O)N1Cc1ccccc1 1862613263 GQDIQYWQKHNYDY-VWLOTQADSA-N 439.555 6.071 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(Cl)cc1 1862617104 FTEMDAULBHSPSW-QVKFZJNVSA-N 425.956 6.014 30 10 IKEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(C)cc1 1862659662 CAXCWCRJNTUPDM-RUZDIDTESA-N 448.607 5.429 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccccc1[N+](=O)[O-] 1862665680 LYGJZCBIFKIOML-JOCHJYFZSA-N 436.508 5.487 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccccc1Br)c1ccc(F)cc1 1862680643 HGCUCANXKLOZNP-LJQANCHMSA-N 444.300 5.109 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccc(C)cc2)cc1 1862687423 KPTRUMMDVMAZPB-MHECFPHRSA-N 427.500 5.343 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccccc2F)C1=O 1863299748 UXVLYFKTTVOGNP-UHFFFAOYSA-N 447.554 6.030 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(Br)cc2)C(=O)N(CC)C1=O 1863560126 LQSNDTZTLYHXDF-UHFFFAOYSA-N 435.406 5.279 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccccc2F)=C(c2ccc(F)cc2F)C1=O 1863661382 LEEDERCOYPFWPB-UHFFFAOYSA-N 444.497 5.334 30 10 IKEE CCOc1ccc(/C=C(/C(=O)Nc2sc3c(c2C#N)CCCC3)c2ccccc2)cc1 1865914245 JDQOHPRHKLPLSS-CJLVFECKSA-N 428.557 6.077 30 10 IKEE CC(C)c1nc(Nc2cccc(C#N)c2)cc(N2CCC[C@@H]2Cc2ccc(Cl)cc2)n1 1868221292 IEXAUAVMMJJPIL-JOCHJYFZSA-N 431.971 6.080 30 10 IKEE CN(CC(C)(C)c1ccccc1)c1cc(Nc2ccccc2C#N)nc(-c2ccccc2)n1 1868372435 HMOLQRBUPGDGQG-UHFFFAOYSA-N 433.559 6.173 30 10 IKEE COc1ccc2c(c1)C[C@H](C)CN2c1cc(Nc2ccc(C#N)cc2)nc(-c2ccccc2)n1 1868375981 DZAUFIGIQGQQSQ-IBGZPJMESA-N 447.542 6.098 30 10 IKEE CCCOc1cn(CCc2ccccc2)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870180458 GOPFIFHLQVZPCN-UHFFFAOYSA-N 447.604 5.364 30 10 IKEE C=CCOc1cn(Cc2ccc(OC)cc2)c(CN(CCCC)CCCCCC)cc1=O 1870387468 FRJLUZWYHGHJOM-UHFFFAOYSA-N 440.628 5.652 30 10 IKEE CCCCCCCOc1cn(CCc2ccc(F)cc2)c(CN2CCCCC2)cc1=O 1870412586 DGYUQVKVNZQMSL-UHFFFAOYSA-N 428.592 5.565 30 10 IKEE CCCCCCCOc1cn(CCCN(C)C)c(CNc2ccc(OCC)cc2)cc1=O 1870837468 IHAQMSPHEJUAGM-UHFFFAOYSA-N 443.632 5.160 30 10 IKEE C=CCn1cc(OCCc2ccc(OC)cc2)c(=O)cc1CNc1cccc(Cl)c1C 1871051133 MPIOLSSEPXWINJ-UHFFFAOYSA-N 438.955 5.238 30 10 IKEE CC[C@H](C)N1COc2c(cc3c(c2C)O/C(=C\c2cn(CC)c4ccc(OC)cc24)C3=O)C1 1871353337 LVNQUEFTMUFZFQ-PDHRUYIUSA-N 446.547 5.545 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN(CCCCc2ccccc2)C3)C1=O 1871360159 RMCRWAIPJALABH-ONUIUJJFSA-N 439.555 6.094 30 10 IKEE CC(C)COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)c1 1871379052 IEQPZVUIZADXMY-MSXFZWOLSA-N 448.902 6.210 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(O[C@H](C)C(=O)Nc4ccc(F)cc4)c3C)C2=O)c1 1871401287 YWPLUKIAPDZRLW-GMPVXANTSA-N 447.462 5.165 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCCCCOc3ccc(C)cc3)ccc2C1=O 1871403050 BXRNYCMUXFUPLN-IMRQLAEWSA-N 444.527 6.248 30 10 IKEE COc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccc(F)cc1)C2=O 1871412058 NHLPZZVHKUERRD-ZGWJWYQGSA-N 447.462 5.165 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 1871798990 CYLOXVPDYNBGNI-NRFANRHFSA-N 434.989 5.023 30 10 IKEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872488989 NDHZRQMDIVVRGU-LJQANCHMSA-N 449.016 5.168 30 10 IKEE COc1ccc(OC)c(-c2csc([C@H](C#N)C(=O)c3ccccc3Br)n2)c1 1872771616 XVPWLPCFRYFXGT-OAHLLOKOSA-N 443.322 5.080 30 10 IKEE CC(C)COc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)c1 1872772877 JABWMEJVULRVCK-JOCHJYFZSA-N 432.589 6.632 30 10 IKEE N#C[C@H](C(=O)CCCOc1ccc(Cl)cc1Cl)c1nc(-c2ccc(F)cc2)cs1 1872775876 CFMMFYYEDWZTMM-MRXNPFEDSA-N 449.334 6.291 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)Cc3ccc(F)cc3F)n2)cc1C(C)C 1872779072 AVMOKYFCSFANOO-LJQANCHMSA-N 440.515 5.948 30 10 IKEE CCOc1ccc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc1OC 1872779772 RANDQYDFMAIZSG-MRXNPFEDSA-N 442.487 5.305 30 10 IKEE COc1cc(OC)c(-c2csc([C@H](C#N)C(=O)Cc3ccc(C)cc3)n2)cc1Cl 1872782671 MREUJOJWKSIMJW-MRXNPFEDSA-N 426.925 5.208 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(Br)c3)n2)c(OC)c1 1872783500 BCGDBYFKFRBQLA-INIZCTEOSA-N 443.322 5.080 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(F)cc3F)n2)c(OCC)c1 1872784411 STADFQDBRAYFRO-SFHVURJKSA-N 442.487 5.305 30 10 IKEE COc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1 1872788715 OTGMPSVTJKMTFS-XAYKGCCJSA-N 440.524 5.870 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCC)=C(c2cccc(Cl)c2Cl)C1=O 1873127056 WERUJNQKHTVWHT-UHFFFAOYSA-N 439.427 6.214 30 10 IKEE C=CCN1C(=O)C(Nc2cc(C)ccc2OCCC)=C(c2ccc(Cl)c(Cl)c2)C1=O 1873187254 FCIDIGJWIPKOBB-UHFFFAOYSA-N 445.346 5.469 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(OC(C)C)c2)=C(c2cccnc2)C1=O 1873268519 ARTQRSNCSBTOIM-UHFFFAOYSA-N 435.568 5.421 30 10 IKEE N#Cc1nc(-c2ccccc2)oc1N/N=C/c1ccccc1OCc1ccc(Cl)cc1 1873471098 WBTRIIQMODKQED-JFLMPSFJSA-N 428.879 5.892 30 10 IKEE CCC(CC)c1nnc(S)n1/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 1873502408 LFNFIPRXVIXMHW-WYMPLXKRSA-N 449.407 6.238 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(-c3ccccc3C)cc2)cc2c(N(CC)CC)ncnc21 1873670572 FCUCIHUXNNJHTL-UHFFFAOYSA-N 439.563 5.691 30 10 IKEE CCCCCCCCCCNC(=O)COc1cc(C)cc2oc(=O)c3c(c12)CCCC3 1873935207 LMRZOTVZNHUVMU-UHFFFAOYSA-N 427.585 5.616 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1ccc(F)cc1F 1874249522 CYMHSWWBYWYJOP-MFKUBSTISA-N 430.524 5.261 30 10 IKEE CCCSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1ccc(Cl)cc1Cl 1874321460 SMNVHCOXJUDXAC-WYMPLXKRSA-N 449.407 6.165 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1c(Cl)cccc1Cl 1874367295 VOQMHILVUISGJT-AUEPDCJTSA-N 437.783 6.456 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2cccc(Cl)c2)n1/N=C/c1cccn1C 1874400863 AYBDZFZRGQBYQB-STPJHCLOSA-N 435.984 5.596 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCCCO)n1/N=C/c1c(Cl)cccc1Cl 1874401438 NPPHCBJGVAMUOH-JMKVTYIUSA-N 435.380 5.093 30 10 IKEE CCCSc1nnc(Cc2cccs2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874413589 BGRZRYQTYDOPQX-KOEQRZSOSA-N 448.617 5.894 30 10 IKEE Fc1cccc(/C=N/n2c(Cc3cccs3)nnc2SCc2ccc(Cl)cc2)c1 1874413664 FOOJBDOOZCUVNJ-ZMOGYAJESA-N 442.972 5.897 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2)n1/N=C/c1ccc(Cl)cc1Cl 1874438853 WZXSIGHZZNKTJK-ZMOGYAJESA-N 433.408 6.348 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc(OC)c(OC)c1 1874479643 KIJJEYSGVJGRSX-ZVHZXABRSA-N 444.988 5.466 30 10 IKEE CC(C)(C)c1nnc(SCc2ccccc2)n1/N=C/c1ccc(Br)cc1 1874481583 DEJKVGNGIXHKCS-LPYMAVHISA-N 429.387 5.513 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C(C)(C)C)c1 1874485586 DCIJFVWPOWIFRI-ZVHZXABRSA-N 428.989 5.802 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(CC(C)C)nnc1SCc1ccccc1 1874489737 HYMFUEWNLITBJK-WGOQTCKBSA-N 430.577 5.813 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(SCc2cc(C)ccc2C)nnc1C(C)C 1874513590 GTXJTCYURRQFHM-JFLMPSFJSA-N 444.604 6.355 30 10 IKEE CCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1/N=C/c1cccc(F)c1 1874542292 SQNBHVXYFBAETQ-AFUMVMLFSA-N 446.979 5.693 30 10 IKEE Sc1nnc([C@@H]2CCCO2)n1/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1 1874560268 PBARLVSYZSSGSY-RIDKEVFESA-N 449.363 5.186 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/n2c(S)nnc2C2CCCC2)cc1Cl 1874560317 RNLRPWJREOIZAN-KOEQRZSOSA-N 449.064 6.889 30 10 IKEE Cc1ccc(COc2ccc(/C=N/n3c(S)nnc3Cc3ccc(C)cc3)cc2)cc1 1874561500 USLONXAHWLRKJK-WGOQTCKBSA-N 428.561 5.236 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(F)c(C)c2)c1OCC(=O)Nc1ccccc1C 1874581601 WJHLOIAMQRBBMZ-WYMLVPIESA-N 433.479 5.365 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3ccc(F)cc3)c2)cc1 1874593795 BZEQODFVUDRLOH-MKMNVTDBSA-N 433.479 5.310 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 1874602020 PQTRWAWQXFZPAY-UXBLZVDNSA-N 428.271 6.377 30 10 IKEE CCCOc1c(OCC)cc(/C=C/C(=O)c2cccc(Br)c2)cc1[N+](=O)[O-] 1874610077 ZIPOZOUOZZVZHJ-CMDGGOBGSA-N 434.286 5.441 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2Cl)c1 1874617491 FBCVYLZZCOYTCT-DHZHZOJOSA-N 433.935 6.179 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OCC(N)=O)c(OCC)c2)cc1 1874624560 JJVROJLTANLYBB-OQLLNIDSSA-N 439.552 5.195 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cccc(C)c3C)c(Cl)c2)cc1C 1874631787 USYPFQWBNRNFDY-FMIVXFBMSA-N 447.962 6.487 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OCC(=O)Nc2ccccc2C)cc1 1874634889 YVSVFNCLMGAVSL-JLHYYAGUSA-N 449.934 5.879 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCCOc3ccccc3)c2)c(OC)c1 1874714488 YLPSNCQWOFZIBE-DTQAZKPQSA-N 446.499 5.365 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1C 1875080535 MPULUCWUZCGIMD-XDHOZWIPSA-N 446.546 7.015 30 10 IKEE COc1cccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)cc2)c1 1875096941 LYRNLISKKKEZOD-LFIBNONCSA-N 442.511 5.455 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)ccc1OC(=O)c1ccc(Cl)cc1 1875101027 NEWZHLUKIDNXEG-NTUHNPAUSA-N 436.891 5.863 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3cccc(OC)c3)cc2OC)cc1 1875104335 RRFHOVFOIKSUKL-NTCAYCPXSA-N 444.527 5.701 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)c(C)c3)c([N+](=O)[O-])c2)cc1 1875114017 KBFAXBPXSROASY-NYYWCZLTSA-N 449.434 5.095 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)cc([N+](=O)[O-])c1OC(=O)CC(C)C 1875145024 BHUPVLCGWJXPHQ-CMDGGOBGSA-N 441.480 5.158 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 1875158905 SNLDHPUGWUUAJT-NTUHNPAUSA-N 435.407 5.248 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(-n2cccc2)cc1 1875159224 IIMSQIYGQGQZGI-LNKIKWGQSA-N 441.458 5.740 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3cc(Cl)ccc3OC)cc2)cc1 1875191791 DVRSMSOVTLMXPW-XNTDXEJSSA-N 448.946 6.345 30 10 IKEE CCCC[Sn](CCCC)(CCCC)c1cc(F)c(C#N)cc1F 1882339032 GNRDAWNZQKNHQG-UHFFFAOYSA-N 428.155 5.893 30 10 IKEE CC(C)(C)c1cc(C(=O)N2CCC[C@@H](COc3cc(C#N)ccn3)C2)cc(C(C)(C)C)c1 1891178774 LAVXHCHJUCJTAW-HXUWFJFHSA-N 433.596 5.479 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 1943909055 BLJJQZSWXWYZHM-WZONZLPQSA-N 433.524 5.297 30 10 IKEE C=C1CCC(C[C@@H](C[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)NCC)CC1 1947489668 WXLMTQNLFPYPMK-BJKOFHAPSA-N 430.633 5.601 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@H](C#N)[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2017957704 ZFDXPGQAYDBAIF-PKOBYXMFSA-N 435.609 5.484 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)C1(C#N)CCC(C)(NC(=O)OC(C)(C)C)CC1 2027794641 YFBBHUNQENWHKV-UHFFFAOYSA-N 443.588 5.856 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1scc(Br)c1C 2041204350 OLLMWWVUGOWJOW-HZPDHXFCSA-N 429.424 5.166 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCCC)c2cc(Br)cs2)C1 2062982205 PDZDOAXHYIYJOC-MRXNPFEDSA-N 429.424 5.412 30 10 IKEE Cc1ccc([C@@H](n2nc(C(F)(F)F)c(/C=N/O)c2Br)C2(C)CC2)cc1F 2079007280 PXVFEPZNVLWWKX-VKKHMPROSA-N 434.231 5.310 30 10 IKEE CCCc1ccc([C@H](n2nc(C(F)(F)F)c(C#N)c2Br)C2(C)CC2)cc1 2079894894 LUTGKGLGDMFVAX-INIZCTEOSA-N 426.280 5.878 30 10 IKEE COc1ccc([C@H](C2CCC2)n2nc(C3CCC3)c(C=NO)c2Br)cc1C 2079982508 WKUSFWQLDVYPLA-FQEVSTJZSA-N 432.362 5.428 30 10 IKEE CCCCCCCC[C@H](NC)c1ccc(Br)cc1I 2142278682 GQMCOTIRAWNLLY-INIZCTEOSA-N 438.191 6.065 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](CNc2cccc(Br)c2C#N)C(F)(F)CC1 2162284033 JMHXUZFZOPADCC-CYBMUJFWSA-N 444.320 5.015 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]2CC[C@@]21CNc1cc(Br)c(C#N)cc1F 2162331048 XJUXDOORRWLEPN-VBKZILBWSA-N 438.341 5.051 30 10 IKEE C[C@H](NC(=O)OC(C)(C)C)c1ccc(Nc2cc(Br)cc(F)c2C#N)cc1 2163688924 YEEUIDSVWSDTIE-LBPRGKRZSA-N 434.309 5.789 30 10 IKEE C=C(C(=O)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)c1ccccc1 2197142843 VHJXEJCRBLBGRQ-LJQANCHMSA-N 430.342 5.167 30 10 IKEE C#C[C@H](NC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Br)C1CCCCC1 2203796786 UNUMTSZONKUJHU-SFHVURJKSA-N 435.362 5.108 30 10 IKEE CCOc1ncc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)s1 2231291349 QPWSOCYXUYHICF-AWEZNQCLSA-N 438.347 5.311 30 10 IKEE C#CCC1(NC(=O)[C@@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)CCC1 2243924285 DRCOLEZWKUQRBH-RUZDIDTESA-N 444.575 5.002 30 10 IKEE CC[C@H](C)N(Cc1ccccc1)C(=O)c1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2247779492 USYMVDDEEHPVHR-KRWDZBQOSA-N 427.781 5.080 30 10 IKEE C=C(C)CCCC[C@H](O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2271757197 YZMVPXOEJHTPED-OALUTQOASA-N 426.395 5.382 30 10 IKEE C=CC[C@@]1(COc2ccc(N)cc2Br)CCCN(C(=O)OC(C)(C)C)C1 2272150444 OXZSIEGKQPOJMC-HXUWFJFHSA-N 425.367 5.004 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(F)cc(Br)c1F 2288354812 OFQOAWNRZPJECB-AEFFLSMTSA-N 445.348 5.075 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)[C@H](O)C#Cc1ccc(Br)cc1 2296276834 MHOKFKZMPYVJEE-VQTJNVASSA-N 436.390 5.025 30 10 IKEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccc(F)cc2)cc1 2296923850 CGUGPNGMUCWTCC-NRFANRHFSA-N 444.487 5.370 30 10 IKEE O=C(C=Cc1ccccc1Cl)c1ccc2c3c(cccc13)C(=O)N(c1ccccc1)C2=O 2297708549 SXXMKSLIGAJHBX-UHFFFAOYSA-N 437.882 6.190 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H]3C[C@H]2C[C@H]3NC(=O)OC(C)(C)C)cc1 2308987631 YBUDTMGADNFLID-FTWJINIUSA-N 441.572 5.322 30 10 IKEE Cc1ccc(N=C2NC(=O)C(=Cc3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)S2)cc1C 2313510284 IYBSATNRQLTGHW-UHFFFAOYSA-N 446.532 5.511 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O)c1ccccc1F 2314437817 XHPLWJXFAAXSTG-UHFFFAOYSA-N 429.230 5.968 30 10 IKEE Cc1ccccc1COc1ccc(C=Nn2c(C)nnc2SCc2ccc(F)cc2)cc1 2321090549 WZLKJVAKAOQLSO-UHFFFAOYSA-N 446.551 5.788 30 10 IKEE CSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1N=Cc1ccc(C)cc1 2321358792 MPRSJLXVRSVQLZ-UHFFFAOYSA-N 435.380 5.509 30 10 IKEE Sc1nnc([C@H]2CCCO2)n1N=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 2321884029 FHCJCZITCJATRF-GOSISDBHSA-N 449.363 5.186 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3cc(OCc4cccc(F)c4)cc(C)c3C1=O)cn2C 2321888601 ZPVJDNWWBSLYRB-UHFFFAOYSA-N 443.474 5.830 30 10 IKEE CC[C@H](C)N1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(Br)cc1)C3=O 2322092229 FUXQPWJWLKITFT-AWEZNQCLSA-N 428.326 5.324 30 10 IKEE COc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN([C@@H]2CCCC[C@H]2C)C4)cc1OC 2322146211 SBCIJSYXTSXHLF-OXQOHEQNSA-N 449.547 5.359 30 10 IKEE Cc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCCc2ccccc2)C4)cc1 2322214493 GTIPTALBKDONHZ-UHFFFAOYSA-N 425.528 5.704 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCc2c(Cl)cccc2Cl)cc1OC 2322341303 ZWXZZLVHHCOYQY-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE COc1ccccc1C=C1Oc2c(cc3c(c2C)OCN(Cc2cc(C)ccc2C)C3)C1=O 2322412892 FRWQKNVCDIBLPX-UHFFFAOYSA-N 441.527 5.589 30 10 IKEE Cc1cccc(NC(=O)COc2ccccc2C=CC(=O)c2c(C)c(C)cc(C)c2C)c1 2322836684 OUQUBRNRTIYQTR-UHFFFAOYSA-N 427.544 6.142 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2ccccc2C)c(OCC)c1 2322922572 XMRCGQKVGXGCGF-UHFFFAOYSA-N 446.543 6.276 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCC(=O)N(CC)CC)c(Br)c2)cc1 2323466060 JINNDRWBIJSYGO-UHFFFAOYSA-N 444.369 5.155 30 10 IKEE COc1cccc(-c2csc(NN=Cc3ccc(OCCCc4ccccc4)cc3)n2)c1 2323843945 AILMMXDTOQPPQB-UHFFFAOYSA-N 443.572 6.276 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc([N+](=O)[O-])c1OCc1ccccc1F 2323864841 NZWIMHSITSHDJZ-UHFFFAOYSA-N 449.478 6.225 30 10 IKEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)C=Cc1ccc(OCC)c(OC)c1 2323914778 VKHWUCDKHNMVKZ-UHFFFAOYSA-N 446.632 5.259 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(O)c3CN(Cc3ccccc3)C(C)C)C2=O)cc1 2324014364 KMJRCBNJYLDIAW-UHFFFAOYSA-N 427.544 5.981 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2cccc3ccccc23)cc1)Nc1ccc(F)cc1 2324128242 TXVAXIQMTFHAMZ-UHFFFAOYSA-N 425.459 5.893 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OCc1ccccc1 2324234273 SJIWGJUSXLVIKI-UHFFFAOYSA-N 444.571 6.867 30 10 IKEE CC(C)c1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 2324331733 RDSWNQNYGPDSDN-SANMLTNESA-N 448.591 7.490 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2ccc(OCc3ccccc3Cl)cc2)cc1Cl 2324422512 LUSIXGWAGYADNZ-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(C(C)C)cc3)n2)c(OC)c1 2324760634 IEGFHEZKJYIFRK-OAQYLSRUSA-N 432.545 5.840 30 10 IKEE COc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)c(OC)c1 2324787778 TVZVIOAQVMYLSZ-FQEVSTJZSA-N 432.545 5.642 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OCCOc4ccccc4F)ccc3C2=O)cc1 2324857728 RANYLVKPSFJOPZ-UHFFFAOYSA-N 447.506 5.746 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc5ccccc5c4)ccc3C2=O)cc1 2324958998 HADCYRQVWUARJF-UHFFFAOYSA-N 449.506 6.036 30 10 IKEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(C(F)(F)F)cc1 2325642529 CWRPRYYWFRLFHB-UHFFFAOYSA-N 445.297 6.087 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(C=CC(=O)c3ccc(Cl)cc3)ccc2OC)c1 2325729709 KJXJLQUIWVEBEG-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2)cc1OC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl 2325731629 SIERKQKETRZVFT-NHCUHLMSSA-N 432.903 5.954 30 10 IKEE CCCCC1CCC(C(=O)Oc2cccc(C=CC(=O)c3ccc(F)c(F)c3)c2)CC1 2325753537 QNGONRFXLIESNP-UHFFFAOYSA-N 426.503 6.763 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3c(F)cccc3Cl)c2)c(C)c1C 2325755697 FJCWGHBFLRRRCC-UHFFFAOYSA-N 438.882 6.220 30 10 IKEE CCCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1ccc(O)cc1 2325905928 FFQWICBGFJFQPB-UHFFFAOYSA-N 438.597 5.553 30 10 IKEE Cc1nnc(SCc2ccccc2)n1N=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 2326211450 YPWAMOIBYDCKAW-UHFFFAOYSA-N 436.625 6.062 30 10 IKEE CCCOc1cc(C=Nn2c(C)nnc2SCc2cccc3ccccc23)ccc1OC 2326637353 UCOCYXNCCRTLPH-UHFFFAOYSA-N 446.576 5.712 30 10 IKEE COc1ccc(C=Nn2c(C)nnc2SCc2cccc3ccccc23)c(Cl)c1O 2326637354 UGPNXUKFBJSBPW-UHFFFAOYSA-N 438.940 5.282 30 10 IKEE CCCSc1nnc(COc2ccc(C)cc2C)n1N=Cc1ccccc1OC(C)C 2328906017 LWSPEDXIBMVPBA-UHFFFAOYSA-N 438.597 5.645 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccc(C)c(C)c3)n2N=Cc2cccn2C)c1 2328933148 QTFCKJZIIAJXLO-UHFFFAOYSA-N 443.620 5.502 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccccn1 2329509874 FNDDBRVXXSHMRU-UHFFFAOYSA-N 447.995 5.595 30 10 IKEE Cc1ccc(C=Nn2c(Cc3ccc(C)cc3)nnc2SCc2ccc(C)cc2)cc1 2329935411 IICKMCTWKFSJOA-UHFFFAOYSA-N 426.589 5.969 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3F)n2N=Cc2ccccc2F)cc1 2329995280 QMAJOWKMWLMQNQ-UHFFFAOYSA-N 434.515 5.630 30 10 IKEE C=CCN(CC=C)C(=O)Oc1cccc2c(NC(=O)C=Cc3cccc(OC)c3)cccc12 2330032541 IIDQYIWJPALHHG-UHFFFAOYSA-N 442.515 5.673 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@@H](C)c3ccccc3)n2N=Cc2ccccc2)c1 2330110227 AMAPLCVATYGAGY-NRFANRHFSA-N 426.589 6.221 30 10 IKEE Clc1ccc(CSc2nnc(-c3cccs3)n2N=Cc2ccccc2)c(Cl)c1 2330608757 SOBCLNMFDBIVIZ-UHFFFAOYSA-N 445.400 6.488 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 2330621853 GTGKLMBJKWXUDS-UHFFFAOYSA-N 445.471 5.564 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3Cl)c(Cl)c2)c1 2330778246 JCWLNLWBWZWCHB-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)ccc1OC(=O)[C@@H](C)c1ccccc1 2330795197 RDNMBONQOBPWGI-IBGZPJMESA-N 430.500 5.699 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2)cc(Cl)c1OC(=O)[C@@H]1CCCO1 2330868979 QSHIZVKEARBDPU-NRFANRHFSA-N 444.911 5.036 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)[C@@H](C)c1ccccc1 2331042574 OGVOCBUKUPGWHA-SFHVURJKSA-N 445.471 5.599 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2Cl)c(C)c1 2331222382 NZCDXFBHYCIEMY-UHFFFAOYSA-N 448.946 6.454 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)c1sccc1C 2331328739 GTRLHXBEKQQXPX-UHFFFAOYSA-N 446.568 6.526 30 10 IKEE CCc1ccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C(C)(C)C)cc1 2331411748 ISJALZFBNMAYKH-UHFFFAOYSA-N 447.435 6.619 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2c(F)cccc2Cl)cc1 2331687168 PGCUUJNUFRGIBJ-UHFFFAOYSA-N 445.951 5.115 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)c1ccccc1F 2331705316 GMPCLDCBBQEEBA-UHFFFAOYSA-N 434.463 5.575 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)cc3F)cc2)cc1Cl 2331814938 CNXILJDVMPMBOE-UHFFFAOYSA-N 442.845 5.671 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@@H]2CCCO2)c(Cl)c1)c1cc(Cl)ccc1Cl 2331860077 WZODPQNLYYZKRJ-IBGZPJMESA-N 425.695 5.627 30 10 IKEE CC#CCN(C[C@H](NCCC)c1sc(C)c(Br)c1C)C(=O)OC(C)(C)C 2337912361 YOKBUJILXWWOOG-INIZCTEOSA-N 443.451 5.429 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1cc(Br)cc(OC2CC2)c1 2362724519 KKGNLVUCRPYHHX-MOPGFXCFSA-N 439.394 5.110 30 10 IKEE CCCN[C@H](C#C[C@H]1CC1(F)F)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2366716605 XMJNGZXOEVIVIT-GOEBONIOSA-N 443.332 5.495 30 10 IKEE Cc1cc(Br)c(Oc2nc(C)c(C)cc2C#N)cc1NC(=O)OC(C)(C)C 2370354004 YPJJQHSCSBHPHC-UHFFFAOYSA-N 432.318 5.780 30 10 IKEE C=CCOc1cccc(NC(=O)COc2ccc(-c3ccccc3)cc2Br)c1 14783785 AXWUHDUPADUCBX-UHFFFAOYSA-N 438.321 5.698 30 10 IKEE C=CCNC(=O)c1cc(-c2csc(-c3ccc(C)nc3)n2)n(CCC2=CCCCC2)c1C 33400267 LGPZARDPYPGKAD-UHFFFAOYSA-N 446.620 6.097 30 10 IKEE O=C1/C(=C/c2ccc(Cl)c(Cl)c2)Oc2cc(OCc3ccc(Cl)cc3)ccc21 33513956 HLOZEZMUWIBBDV-FBHDLOMBSA-N 431.702 6.842 30 10 IKEE CCOc1ccc(/C=C\C(O)=N\c2ccc3nc(N4CCOCC4)cc(C)c3c2)cc1OC 33535765 RBSRLSNLDOCVBG-POHAHGRESA-N 447.535 5.089 30 10 IKEE CCCCOc1ccc(C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2nc3ccccc3o2)cc1 33928534 GZDPBPIDRXYYQE-XLNRJJMWSA-N 442.471 6.338 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccc(OCC)cc1 40098269 XGJNKILGXHIKCR-QFIPXVFZSA-N 449.503 5.219 30 10 IKEE Cc1ccc(CSc2nc3ccc(/N=C/c4ccc(O)c([N+](=O)[O-])c4)cc3s2)cc1 59517256 NMRBPHKIBDMRIA-FSJBWODESA-N 435.530 6.261 30 10 IKEE C=CCCC(=O)Nc1ccc2nc(SCC(=O)Nc3cccc(C)c3C)sc2c1 59721129 MKHREYJNIWRGAT-UHFFFAOYSA-N 425.579 5.549 30 10 IKEE C=CCn1c(SCCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccccc1 59776108 JKEQAZQXXNCZQU-UHFFFAOYSA-N 433.364 5.559 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OC(=O)c4cccc(F)c4)ccc3C2=O)cc1 62942233 DHAJHKFHGIKYOB-OYKKKHCWSA-N 431.463 5.507 30 10 IKEE CCCCCCCOc1ccc(NC(=O)CNc2ccc(OC[C@H]3CCCO3)cc2)cc1 100078401 GPLNWLPSEMSSOU-RUZDIDTESA-N 440.584 5.644 30 10 IKEE CCCCCCCCCCCCCC(=O)Nc1ccc(OCCCc2ccccc2)cc1 100442249 DHTBJBVZXWIQOG-UHFFFAOYSA-N 437.668 8.338 30 10 IKEE CCCCCCCOc1ccc(C(=O)N(Cc2ccc(F)cc2)C[C@@H]2CCCO2)cc1 101356535 UQWQOEKNDIYOJU-VWLOTQADSA-N 427.560 5.996 30 10 IKEE CCCCCCCC[C@@](C#C[C@@H](O)c1ccc(C)cc1)(OCC)n1nnc2ccccc21 102996997 KUQQPHCCYAFVIZ-SXOMAYOGSA-N 433.596 5.917 30 10 IKEE N#CCCn1cc(/C=C/C(=O)Nc2nnc(SCc3ccccc3)s2)c2ccccc21 104684121 UDRVMAISIICZCY-VAWYXSNFSA-N 445.573 5.351 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccc(OC)cc2)cc1 169924598 RIEAMLIZOGBDIQ-RUZDIDTESA-N 441.527 5.657 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2cccc(C)c2)c1 169966138 KZGIVKPIEZLLJT-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2CCC)cc1 169975991 UIMAXWZPFUFTAH-XMMPIXPASA-N 435.564 5.806 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@@H]1c1ccc(OC(C)C)cc1 169979063 NCDCIGCROSZDJY-DEOSSOPVSA-N 449.547 5.177 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccc(F)cc2)c1 170061203 FASSWSYJNODOCA-XMMPIXPASA-N 440.474 5.707 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccccc2F)c1 170069129 PEKRTUIZXFEDPK-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2cccc(O)c2)cc1C 170080607 KGHDSEMUPUDXGI-XMMPIXPASA-N 427.500 5.409 30 10 IKEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(CC)cc3)[C@@H]2c2ccco2)cc1 170097042 OCOMSBBSOLYZLF-QHCPKHFHSA-N 431.488 5.019 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(OC)c(C(C)C)c3)=C(O)C(=O)N2C2CCCC2)c1 170121430 LCTQQGLNJYEXPB-DEOSSOPVSA-N 449.547 5.348 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccc(O)cc2)cc1 170133141 OOFMTSQBJUBFGV-XMMPIXPASA-N 443.499 5.271 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc(C)c2)cc1C 170145492 FYWWDFARYVSIOQ-RUZDIDTESA-N 447.575 6.003 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1cccs1 170161548 WUHVHTSGGYDIAZ-QFIPXVFZSA-N 433.529 5.627 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccn2)cc1C 170169946 XIQZLSAIFMGFBA-HSZRJFAPSA-N 446.478 5.101 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccn2)ccc1Cl 170170453 IFGDFJVCXMGMJB-QFIPXVFZSA-N 448.906 5.225 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccccc2)cc1C 170225956 YDXKEJUTXZYWPO-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccccc1)c1cc2cc(Cl)ccc2o1 170230537 BIYXAVSQQWKKGU-NRFANRHFSA-N 433.847 5.458 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccccc1 170231609 FHYTZHUOFMNONT-NRFANRHFSA-N 439.939 5.568 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1C 170239697 YHJHLXRHWISLAA-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2C2CCCC2)cc1 170246065 RDDAECAPNGWSLN-XMMPIXPASA-N 428.532 5.812 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)[C@@H]2c2ccc(C)o2)cc1 170303954 BWPDCTNONUQVTL-QFIPXVFZSA-N 447.874 6.079 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2sccc2C)cc1C 170316439 SVDFNKFGEVWSSY-HXUWFJFHSA-N 437.517 5.053 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(Cl)c(Cl)c2)c1 170380304 WVKPQJROZWWZNB-IBGZPJMESA-N 428.271 5.678 30 10 IKEE Cc1cc(C)c2c(c1)/C(=C1/SC(=Nc3ccccc3)N(c3ccccc3)C1=O)C(=O)N2 252597907 CWAFIWKLHMDAAM-ZYATYYCISA-N 425.513 5.434 30 10 IKEE O=C1CC(=NN=c2scc(-c3ccc(Cl)cc3)n2-c2ccccc2)c2ccccc21 252624123 PGUFQQJWSLCLJN-UHFFFAOYSA-N 429.932 5.751 30 10 IKEE O=C1C(=O)N(c2ccccc2)C(=Nc2ccccc2)C(=Nc2ccccc2)N1c1ccccc1 252643778 ZWNJGNCJOKAGTH-UHFFFAOYSA-N 444.494 5.527 30 10 IKEE Cc1cccc(N=C2S/C(=C3/Sc4ccccc4N3C)C(=O)N2c2ccccc2)c1 254379749 WLNIKOMTEDTWHC-CSFSZXLXSA-N 429.570 6.174 30 10 IKEE COc1cc([N+](=O)[O-])cc(C=Nc2ccc(O)c(-c3nc4cc(C)c(C)cc4o3)c2)c1O 254614853 CMOIZDCWKXZRLI-UHFFFAOYSA-N 433.420 5.190 30 10 IKEE Cc1ccsc1/C=C1/SC(=Nc2ccccc2)N(CCc2c[nH]c3ccccc23)C1=O 254734394 QTMBFHSEKDXTSD-ZRAGWZJNSA-N 443.597 6.385 30 10 IKEE N#Cc1ccc(NCc2cc(Br)c(Br)o2)cc1Br 302697272 UYBQQZDUDHFRNW-UHFFFAOYSA-N 434.913 5.051 30 10 IKEE CC[C@]1(C)CCSC(=Nc2c(Br)cc(Cl)cc2Br)N1 387604501 NDQCGZNEAKUNTB-CYBMUJFWSA-N 426.605 5.748 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(/C=C\C(=O)Cc2cc(F)ccc2Br)cc1 405948473 ZWIKJQPUZYZJNO-POHAHGRESA-N 434.305 5.760 30 10 IKEE CCCCCCOc1ccccc1C(=O)/C=N\n1cnnc1SCc1ccccc1F 526803048 SCZQWLSRWMATFF-YSMPRRRNSA-N 440.544 5.385 30 10 IKEE CC(C)(C)c1ccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccco2)cc1 526806671 PZOYRTRBXZEGFU-ONUIUJJFSA-N 430.577 5.934 30 10 IKEE COc1cccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccc(Cl)cc2)c1 526808045 HVIQLCFMFWQDMR-QQXSKIMKSA-N 448.979 5.705 30 10 IKEE CCc1nnc(SCc2ccccc2Cl)n1/N=C\c1cc(Cl)c(O)c(OC)c1 526816513 HLGJUMXLSRALPG-YVNNLAQVSA-N 437.352 5.036 30 10 IKEE Cc1ccccc1/C=N\n1c(CCc2ccccc2)nnc1SCc1ccc(C#N)cc1 526823631 ZLCMGGGFTMAQAC-VEILYXNESA-N 437.572 5.418 30 10 IKEE C=CCCN(c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(CCCCCC)cc1 586233384 LOWHLANWPJWHMA-UHFFFAOYSA-N 427.654 6.878 30 10 IKEE Cc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)c(Cl)c1 698458476 PFLGTVPNMRVYHC-SFHVURJKSA-N 435.749 6.417 30 10 IKEE CC(C)(C)OC(=O)N(CC1CC1)[C@@H](C#N)c1ccc(Br)c(Br)c1 698966717 IWIIKHXLSBIESZ-HNNXBMFYSA-N 444.167 5.423 30 10 IKEE CCCCCCCCCC[C@@H](NC)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 702454680 ZDDXEPGGVTYWQJ-RPBOFIJWSA-N 447.708 6.131 30 10 IKEE CCCCCCCCCCC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 705475933 HUOWHRRSLIYEIJ-QPPBQGQZSA-N 433.633 6.585 30 10 IKEE CCCCCCCC[C@@H](O)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 708578996 VVPSZMKVRNOKPW-WOJBJXKFSA-N 442.438 5.996 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)C1(C#N)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 709419115 XTZYKFSCFQMRMT-OOEJVQDLSA-N 441.572 5.561 30 10 IKEE Cc1cccc(N=C2C(=O)N(CN(C3CCCCC3)C3CCCCC3)c3ccccc32)c1 1084347479 NAQODTRDNAQUQV-UHFFFAOYSA-N 429.608 6.387 30 10 IKEE CCC(=NNc1nc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n[nH]1)c1ccccc1 1084598512 PHKAHJDCNZKVMG-UHFFFAOYSA-N 449.367 5.069 30 10 IKEE C[C@H]1CC(=Nc2ccc(F)cc2)c2cc(F)ccc2N1C(=O)c1ccc([N+](=O)[O-])c(F)c1 1088689416 BXZDPDBSYHBBNW-ZDUSSCGKSA-N 439.393 5.572 30 10 IKEE O=C(Nc1ccc2c(c1)C(F)(F)C(F)(F)O2)Nc1ccc2c(c1)C(F)(F)C(F)(F)O2 1614302299 NWHCRMSUXYFARF-UHFFFAOYSA-N 440.246 5.485 30 10 IKEE C=CCN(Cc1cccs1)c1nnc(-c2nnc(O)c3ccccc23)n1CCCC(C)C 1722662545 JFZIOUSAZCUYDC-UHFFFAOYSA-N 448.596 5.284 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)c1ccccc1C(F)(F)F 1861042436 OGQPSRXUKYTCCU-OAQYLSRUSA-N 442.566 6.251 30 10 IKEE CCCCCCCCNC(=O)[C@@H](NC(=O)c1c(Cl)ccc(Cl)c1Cl)[C@H](C)CC 1861150315 MXWVLWDAVPJMJX-KUHUBIRLSA-N 449.850 6.268 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)COc1ccc(CCC)cc1 1861655218 FEEORSVMSRFXCI-VWLOTQADSA-N 446.676 5.950 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(OCC)cc1 1862384489 SSZFGYIDUUVPHR-LJQANCHMSA-N 432.303 5.156 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(C(F)(F)F)cc1 1862450674 NMYIXFIREKSBFX-GOSISDBHSA-N 437.845 5.737 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(Cl)cc1 1862470111 FYWMYOIYOAKECH-SFHVURJKSA-N 448.744 5.337 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2ccc(F)cc2)cc1 1862473912 IOQXRFJLMJMMBA-DEOSSOPVSA-N 429.491 5.345 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccc(Cl)c2)cc1 1862477508 YVZOAOFLLHJQDP-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc(Cl)cc2)cc1 1862515849 GDTHRKAQDYFVKN-JOCHJYFZSA-N 441.955 5.753 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccccc1 1862543932 RTJWNQMUDIAMLJ-RUZDIDTESA-N 447.575 5.351 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CC(C)C)cc1 1862582081 WBGZLPOADBKBQV-LJQANCHMSA-N 434.319 5.236 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1Cl 1862583680 IGWOLZZCMBORSB-ADLMAVQZSA-N 438.738 6.024 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc2c(c1)CCCN2C 1862622395 DMOCDCWMORJANM-DEOSSOPVSA-N 444.575 5.131 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@H]1c1ccc(F)cc1)c1ccc(F)cc1 1862674205 SSJQCPOTTANARL-QFIPXVFZSA-N 425.475 5.656 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862678798 RLWVXLHPNJDBIK-DEOSSOPVSA-N 447.481 5.867 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccccc2F)c1 1862703285 SRVLZCIWZLAPQP-QHCPKHFHSA-N 435.495 5.303 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)cc1 1862713115 HMLVCRHOFGPQBK-VFHOHQAYSA-N 439.555 6.305 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(F)cc1 1862714786 GLFHKXQWPQUJGZ-DEOSSOPVSA-N 431.507 6.138 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc([N+](=O)[O-])c1 1862717932 PCMSEHSNUNBGEI-OYHNWAKOSA-N 430.460 5.125 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(C(C)(C)C)cc1 1862757488 YUZVASWHWJBHFD-YCRPNKLZSA-N 436.508 5.269 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(F)cc2)C1=O 1862766201 WBFBFNKKNVMBRZ-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C)cc2)=C(c2ccc(NC(C)=O)cc2)C1=O 1863185909 XQULAICLZVFCGY-UHFFFAOYSA-N 447.579 5.506 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccccc2Cl)C1=O 1863446909 KULGGLBMCQGEGM-INIZCTEOSA-N 427.891 5.165 30 10 IKEE COc1ccc(Br)cc1C(=O)Nc1ccc(C#N)cc1C(=O)c1cccc(C)c1 1865981273 KFFWGCGSZNLULY-UHFFFAOYSA-N 449.304 5.121 30 10 IKEE CCCCCCCCCCCC(=O)Nc1c(C(=O)OCC)cnn1-c1ccccc1F 1865985991 GSKWSNTYIVMKOG-UHFFFAOYSA-N 431.552 6.048 30 10 IKEE C[C@@H]1c2[nH]cnc2CCN1c1cc(Nc2ccc(C#N)cc2)nc(-c2ccccc2Cl)n1 1868426181 MCOAOHYDFZONFD-OAHLLOKOSA-N 441.926 5.259 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](CCC)NC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)C(C)C 1868866428 WJMYIGGCZSSKRH-WOJBJXKFSA-N 425.400 5.219 30 10 IKEE Cc1nc(SCc2cc(=O)c(OCCC(C)C)cn2CCC(C)C)c(C#N)c(C)c1C 1870233726 FEZGOWKKTPELGP-UHFFFAOYSA-N 441.641 5.804 30 10 IKEE CCCCCCCOc1cn(CCCO)c(CSc2nc3ccccc3s2)cc1=O 1870251459 KPUGXRDAIGMKEX-UHFFFAOYSA-N 446.638 5.482 30 10 IKEE CCCCCCCOc1cn(CCc2ccc(C)cc2)c(CN(CCC)CCC)cc1=O 1870412882 MAQJOOCDZGHETD-UHFFFAOYSA-N 440.672 6.371 30 10 IKEE CCCCCCCOc1cn(CCc2ccccc2)c(CNc2ccc(C)c(C)c2)cc1=O 1870830181 HEOIWSSROPCVKS-UHFFFAOYSA-N 446.635 6.669 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2C)c(CNc2cccc(OC)c2)cc1=O 1870836767 UOXKBPFUEMZCMK-UHFFFAOYSA-N 448.607 6.175 30 10 IKEE CCCCCCCCn1cc(OCC(C)C)c(=O)cc1CNc1cccc([N+](=O)[O-])c1C 1870858037 QRTXWOVVLMOMHV-UHFFFAOYSA-N 443.588 6.072 30 10 IKEE C=CCn1cc(OCCc2ccc(OC)cc2)c(=O)cc1CNc1ccc(C(C)(C)C)cc1 1871051097 KZTZKNDUUUETPZ-UHFFFAOYSA-N 446.591 5.574 30 10 IKEE CCCCCCCCCCn1cc(OCCCO)c(=O)cc1CNc1cc(C)cc(C)c1 1871265998 ZNRGRXBALUDKLZ-UHFFFAOYSA-N 442.644 5.979 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccccc1)O3)CN(CCc1c[nH]c3ccccc13)CO2 1871345123 STQXMUPKUQQVTR-QFEZKATASA-N 436.511 5.487 30 10 IKEE CCCCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(C(=O)OC)cc1)C3=O 1871352198 TZTIOYVWMGNFCT-HMAPJEAMSA-N 435.520 5.130 30 10 IKEE COc1ccccc1/C=C1\Oc2c(ccc(OC(=O)c3c(F)cccc3Cl)c2C)C1=O 1871375239 ALKBYBYQCSINEP-NDENLUEZSA-N 438.838 5.632 30 10 IKEE CCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C)o2)C3=O)cc1OC 1871384361 XQMWSOFORPOAAV-OLDMSSOPSA-N 446.455 5.230 30 10 IKEE CCCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccco2)C3=O)c1 1871390948 HUKASEOVIRSZBF-STZFKDTASA-N 432.428 5.129 30 10 IKEE Cc1ccc(OCCCCOc2cc(C)c3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 1871406236 YAPOKQVZJOQHOZ-XYGWBWBKSA-N 432.491 6.297 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871412246 XTLOUASGEKWQLW-QETRNLNESA-N 441.527 5.888 30 10 IKEE Cc1c(OCC(=O)N[C@@H](C)c2ccccc2)ccc2c1O/C(=C\c1ccccc1F)C2=O 1871424530 MKSGCPSWRIESPG-PGECNJAHSA-N 431.463 5.007 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(F)c(Cl)c2)ccc2c1O/C(=C\c1cccs1)C2=O 1871441205 DRLDJUGIDNJUJD-GRSHGNNSSA-N 443.883 5.483 30 10 IKEE CC(=O)c1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2cccs2)C3=O)cc1 1871447998 FSUHVSYMUPZWIA-GLFIFPSUSA-N 447.512 5.281 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1871758564 HJLLPMXRZDIXEU-HSZRJFAPSA-N 442.625 5.294 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(CC)cc1)[C@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1872096207 BBZQKWMNFCUWSV-VGSWGCGISA-N 449.016 5.133 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccccc1C(C)C)[C@@H](C)CC)S(=O)(=O)c1cccs1 1872462756 ZQXSWPJZJVRWIX-LAUBAEHRSA-N 434.627 5.102 30 10 IKEE CCOC(=O)Oc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)cc1 1872765695 VDFBJNHZQYPNOZ-GOSISDBHSA-N 436.489 5.153 30 10 IKEE N#C[C@H](C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1nc(-c2cccc3ccccc23)cs1 1872774974 HTGDKDGCVRFXOH-QGZVFWFLSA-N 433.876 6.015 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)n2)cc1F 1872775299 NCNMMUWEJRHENM-BEFAXECRSA-N 438.524 5.725 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(C(C)(C)C)cc3)n2)cc1C 1872788245 YCQVDCAFEVYRJR-RUCTVCJSSA-N 444.600 6.623 30 10 IKEE COc1ccc2ccccc2c1/C=N/Nc1oc(-c2ccc(Br)o2)nc1C#N 1873461855 BAEAZZCLFXQGQM-FOKLQQMPSA-N 437.253 5.177 30 10 IKEE CCCCCCCCCCNC(=O)c1cc2c(N(CCCC)CCCC)ncnc2n1C 1873567889 ACGMOECNCQMDEZ-UHFFFAOYSA-N 443.680 6.245 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1ccncc1 1874204256 RKQJVQHSFSXVGK-AUEPDCJTSA-N 434.352 5.109 30 10 IKEE Clc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2ccccc2)cc1 1874342808 KCTQDQFPIRSWAK-NLRVBDNBSA-N 432.980 5.739 30 10 IKEE Cc1ccc(CSc2nnc(COCc3ccccc3)n2/N=C/c2ccc(O)cc2)cc1 1874352542 PFHGDAQSHIKENK-CVKSISIWSA-N 444.560 5.183 30 10 IKEE Cc1ccc(/C=N/n2c(CCc3ccccc3C)nnc2SCc2ccccc2F)cc1 1874362822 YPNMIQCOZCRQBC-OGLMXYFKSA-N 444.579 5.994 30 10 IKEE Clc1cccc(CSc2nnc(CCc3cccs3)n2/N=C/c2cccs2)c1 1874374047 FAUAQNKIUXHIGK-LPYMAVHISA-N 445.038 6.014 30 10 IKEE Cc1ccc(/C=N/n2c(COc3ccccc3)nnc2SCc2cccc(F)c2)cc1 1874383214 FICPPGNMVZXEKV-CVKSISIWSA-N 432.524 5.479 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2[C@@H](C)c2ccccc2)cc1 1874393481 NZJFFCNOBFWDMW-NLTKLDOMSA-N 446.551 5.752 30 10 IKEE O=[N+]([O-])c1ccccc1/C=N/n1c(Cc2cccs2)nnc1SCc1ccccc1 1874412568 PWVSXYYFHIPBBT-HYARGMPZSA-N 435.534 5.013 30 10 IKEE Fc1ccccc1/C=N/n1c(Cc2cccs2)nnc1SCc1ccccc1Cl 1874413194 HMVWLTATQRRYGR-ZMOGYAJESA-N 442.972 5.897 30 10 IKEE Clc1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2cccs2)c(Cl)c1 1874422698 ZRIBKYLTQKTQBY-FSJBWODESA-N 445.400 6.488 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2ccc(C(C)(C)C)cc2)cc1 1874425519 NDIGMVFMAYOHCR-MTDXEUNCSA-N 440.616 6.726 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2cccnc2)cc1Cl 1874430520 LYZMKTAVORPAQL-DHRITJCHSA-N 440.359 5.821 30 10 IKEE CCOc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccc(Cl)cc2)c1 1874440418 ZWIGZYGEQSFZHV-MFKUBSTISA-N 443.016 6.093 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CC)nnc2SCc2ccccc2)cc1OCC 1874526970 QHVFRHIGZPJGCK-KOEQRZSOSA-N 438.597 5.593 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(S)nnc2COc2ccc(CCC)cc2)cc1 1874566560 BZPIJANYASITDY-KOEQRZSOSA-N 438.597 5.550 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)c1OCc1ccccc1Cl 1874582156 YWFPOTLQXSWDMI-PKNBQFBNSA-N 436.891 5.595 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccccc1OCC(=O)NC1CCCCC1 1874589438 MAXXNSWMDCIHPH-OUKQBFOZSA-N 441.955 5.381 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)c1OCc1ccc(F)cc1 1874590575 NKFFWFAOTDCPPI-FOWTUZBSSA-N 432.535 6.915 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2Cl)cc(OC)c1OCc1ccccc1C 1874608404 MTNJSDGTCJYZNX-CCEZHUSRSA-N 432.947 6.861 30 10 IKEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2ccc(OCCC)c(OCCC)c2)cc1 1874613011 XWVOTRBAGBOHPF-UKTHLTGXSA-N 439.552 5.065 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1 1874613668 HAZMUUFGKMKBTN-BUDOKORBSA-N 429.516 5.238 30 10 IKEE C=CCOc1c(Br)cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1OC 1874630550 HSSRPJAUKKYXAV-BQYQJAHWSA-N 431.326 5.544 30 10 IKEE CCN(CC)C(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OC 1874631869 YNTLRDDFAHNUGH-PKNBQFBNSA-N 429.944 5.109 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc(Br)cc3)c2)c1 1874703308 JLSUFIDUHFVMRP-MDWZMJQESA-N 435.317 6.181 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC(=O)COc2ccccc2)c1 1874709455 IGYVILYMGAXVEB-FYWRMAATSA-N 444.527 5.873 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc(C)c(C)c3)c2)cc1C(C)C 1874711236 WNBULQRMGOGUAA-ACCUITESSA-N 442.555 6.859 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2cccc(OC(=O)c3cccc(F)c3)c2)cc1Cl 1874713649 HYDAUBRQVYBUTJ-MDZDMXLPSA-N 440.854 5.612 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)c2)c(C)c1 1874716366 ORPFETWSYVOKOG-FUNIIJOYSA-N 444.958 6.870 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)COCc3ccccc3)c2)cc1C 1874717693 JGJZQGQNLYOCFZ-OUKQBFOZSA-N 430.500 5.330 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccn3)c(Br)c2)cc1 1875100915 NLRKEAQTUMVRSO-XYOKQWHBSA-N 436.305 5.522 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3Cl)c(Cl)c2)c1 1875102467 JCWLNLWBWZWCHB-PKNBQFBNSA-N 441.310 6.046 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3F)cc2[N+](=O)[O-])c1 1875124834 DWVDGHCQLIYOIM-XVNBXDOJSA-N 437.398 5.605 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OC(=O)c1ccc(Cl)cc1 1875127198 SDWCEVRMFWIWBD-MDWZMJQESA-N 441.310 6.507 30 10 IKEE COc1cccc(C(=O)Oc2c(OC)cc(/C=C/C(=O)c3ccc(C)cc3C)cc2OC)c1 1875131978 YONBTTFLPUSOKH-ZRDIBKRKSA-N 446.499 5.445 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC(=O)Cc1ccccc1 1875145810 UWRHUBBFWZOYQN-ACCUITESSA-N 430.500 5.447 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccccc1F 1875149133 AFDCYZRUCMJYAY-MHWRWJLKSA-N 446.518 6.637 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)c1cncc(C)c1 1875166416 FZSAOEJTLBCFPJ-JXMROGBWSA-N 445.515 5.529 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccccc2)c([N+](=O)[O-])c1 1875170969 ZEOVNDPZNOJTRR-PKNBQFBNSA-N 431.444 5.336 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(OC)cc2OC)cc1OC 1875179030 PKYDJHJMUJFMMC-DHZHZOJOSA-N 432.900 5.358 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)c1cccnc1 1875191182 VLWLRWNJNPRITI-XBXARRHUSA-N 428.271 5.512 30 10 IKEE CC(C)=C(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)B1OC(C)(C)C(C)(C)O1 1889152419 DXEXVWHESXWGPH-UHFFFAOYSA-N 448.460 5.588 30 10 IKEE N#CC1(c2ccccc2)CCN(C(=O)c2ccc(OCc3ccc4ccccc4n3)cc2)CC1 1892426236 RQMQXHADPXCJDA-UHFFFAOYSA-N 447.538 5.511 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)c1cccs1 1922079032 BNSNCSZWEILBLR-VXKWHMMOSA-N 430.614 5.455 30 10 IKEE C=C([C@@H](NCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br)[Si](C)(C)C 1923048692 XGZCBIVARJUILR-QGZVFWFLSA-N 427.459 5.880 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 1944736206 KVQWFUZFDOMBKV-OALUTQOASA-N 433.524 5.249 30 10 IKEE C[C@@H]1CC[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)[C@H](OCc2ccccc2)C1 1998823442 ROSIPDWYDZTWOQ-OPJGWUQDSA-N 440.609 6.153 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)CCC12CCC2 2008284896 ASVSPCHCVZQEAR-DEOSSOPVSA-N 433.593 5.382 30 10 IKEE CCCCCC#CC[C@@H](O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2024347734 UBYYFBAMTGUGPG-ZEQKJWHPSA-N 429.601 5.165 30 10 IKEE CCC(C)(C)[C@H]1CC(=Cc2cc(C#N)n(C)c2C)c2nc3ccccc3c(C(=O)O)c2C1 2040458970 MRWPCWXVFOXYEM-IBGZPJMESA-N 427.548 5.991 30 10 IKEE C=CC1(C[C@@H](NCC)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)CCC1 2049041881 XYIAFCKUEZVHBL-KCWPFWIISA-N 442.644 5.555 30 10 IKEE O=C(C=Cc1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1ccc(OC(F)F)cc1 2053612664 KZNNSZCBXBIFRV-UHFFFAOYSA-N 429.404 5.034 30 10 IKEE Cc1ccc([C@@H](n2nc(C3CCC3)c(C#N)c2I)C(C)(C)C)cc1 2079003087 UGZLWWXINKKWDG-GOSISDBHSA-N 433.337 5.571 30 10 IKEE CC(=O)Oc1ccc([C@@H](C2CCC2)n2nc(C(C)(C)C)c(C#N)c2Br)cc1 2080079692 KQILVATUKKHFKL-GOSISDBHSA-N 430.346 5.130 30 10 IKEE N#Cc1c(F)cc(Br)cc1Nc1c(Br)cccc1Br 2107448451 WTFDHCCILVMFLL-UHFFFAOYSA-N 448.915 5.728 30 10 IKEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN(C)[C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2156383629 SVRFVQYWICMEHF-JWQCQUIFSA-N 449.444 5.110 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](CCNc1cc(Br)ccc1C#N)c1ccccc1 2162416624 VXMDVVMWYQTAOM-SFHVURJKSA-N 430.346 5.389 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(Br)cc2C#N)C[C@@H]1C1CCC1 2194114628 ZSUNLRMPNSHIAM-IEBWSBKVSA-N 434.378 5.301 30 10 IKEE C=CCN(CC[C@H](NCCC)c1sc(C)c(Br)c1C)C(=O)OC(C)(C)C 2226137513 SIHJGPJWCNOKAL-INIZCTEOSA-N 445.467 5.981 30 10 IKEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1sc(Br)c(C)c1C 2254674387 UFBXQBCVRSVDGD-GJZGRUSLSA-N 429.424 5.085 30 10 IKEE C=CCC1([C@H](NC)c2cccc(Cl)c2Br)CN(C(=O)OC(C)(C)C)C1 2259399822 AWCVFIMQUVIIKW-MRXNPFEDSA-N 429.786 5.176 30 10 IKEE C#CC1(NCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CC(C)(C)C1 2259880721 TVXCTEVQMWRRPS-UHFFFAOYSA-N 425.572 6.126 30 10 IKEE Cc1ccc(Oc2cccc(B3OC(C)(C)C(C)(C)O3)n2)c(C)c1NC(=O)OC(C)(C)C 2266705072 BOZVMVMCCHFVGH-UHFFFAOYSA-N 440.349 5.137 30 10 IKEE C[C@@H](NC(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1)c1ccc(NC(=O)OC(C)(C)C)cc1 2267464210 MWVMSBVOZHRIBO-MRXNPFEDSA-N 444.381 5.227 30 10 IKEE Cc1ccc(Cl)c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)c1 2268101329 KPIJEZSHCHAOTG-GOSISDBHSA-N 435.749 6.417 30 10 IKEE CCOC(=O)C1=C(Nc2ccc(C)cc2)SC(=Cc2ccc(N(CC)CC)cc2)C1=O 2294017415 MEQUTJZTPBHKBG-UHFFFAOYSA-N 436.577 5.385 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@H](C#N)c1cc(Cl)c(O)c(Cl)c1 2296282321 VIFNCRUASJAHBZ-MRXNPFEDSA-N 427.715 6.359 30 10 IKEE CCCOc1ccc(C(=O)C(=Cc2cccc3ccccc23)c2nc3ccccc3o2)cc1 2296845245 NOPUFJDAQHTPIL-UHFFFAOYSA-N 433.507 7.193 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2)SC(=Nc2ccncc2Cl)N1c1ccccc1 2314542160 HNRZZLRWVJYIAB-UHFFFAOYSA-N 426.328 6.197 30 10 IKEE CC#CCN(C[C@@H](NCC)c1sc(Br)c(C)c1C)C(=O)OC(C)(C)C 2316096367 BBZZARQUKGJXRR-OAHLLOKOSA-N 429.424 5.038 30 10 IKEE Cc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2cccc3ccccc23)cc1 2318571626 OPWKLOPDAUALCS-UHFFFAOYSA-N 448.595 6.505 30 10 IKEE CCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(OC)c(O)c1Cl 2318574858 VEYZLAZOGSIYIP-UHFFFAOYSA-N 437.352 5.036 30 10 IKEE CCCCOc1ccc(C=NNc2oc([C@H]3C[C@@H]3c3ccccc3)nc2C#N)cc1OCC 2320837251 QUZSXLWIMDWMQF-RTWAWAEBSA-N 444.535 5.841 30 10 IKEE Cc1ccccc1COc1ccc(C=Nn2cnnc2SCc2cccc(Cl)c2)cc1 2321323561 MBUAKGQPPIMNIS-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE Cc1c(OCc2ccc(Cl)cc2Cl)ccc2c1OC(=CC=Cc1ccccc1)C2=O 2321787312 QOHQUNZUAQBCSP-UHFFFAOYSA-N 437.322 7.053 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)N[C@H](C)c2ccccc2)c(C)c1 2322572725 WZCGNCBKUIDRJL-HXUWFJFHSA-N 447.962 6.109 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)c1OCc1cc(C)ccc1C 2322585802 ZAZJZINUIUKFKS-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1 2322605110 QCVRVCLYKSKZGG-UHFFFAOYSA-N 441.354 7.257 30 10 IKEE CCCNC(=O)COc1c(C=CC(=O)c2c(C)cc(C)cc2C)cc(Cl)cc1OC 2322948838 CGDZWQBXXZXRJO-UHFFFAOYSA-N 429.944 5.075 30 10 IKEE Cc1c(OC(=O)C(Cl)(Cl)Cl)ccc2c1OC(=Cc1ccc(Cl)cc1)C2=O 2323038322 UCOJMKHNWPCLKT-UHFFFAOYSA-N 432.086 5.540 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OCC(=O)N[C@H](C)c3ccccc3)c2)cc1 2323076282 ADXZTPXMSGLNPC-JOCHJYFZSA-N 441.571 6.182 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1 2323157404 FKSGOSUUYPTKAZ-UHFFFAOYSA-N 441.354 7.257 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3C)C2=O)c1 2323332202 HJLTVUFJEAWXSO-UHFFFAOYSA-N 429.428 5.355 30 10 IKEE CCCNC(=O)COc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1OCC 2323353349 UAAKNTLCAAMTPF-UHFFFAOYSA-N 443.543 5.553 30 10 IKEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OCCc1ccccc1 2323370831 YINPLGQBTICWRK-UHFFFAOYSA-N 433.460 5.130 30 10 IKEE Cc1ccc(COc2ccc(C=CC(=O)c3ccc4c(c3)CCCC4)cc2[N+](=O)[O-])cc1 2323423571 JDUQCFZZXOLNGG-UHFFFAOYSA-N 427.500 6.257 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)C=Cc4ccc(C(C)C)cc4)cc(C)c3C2=O)cc1 2323503467 ZTLRETRWMDOONU-UHFFFAOYSA-N 438.523 6.662 30 10 IKEE Cc1ccccc1COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 2323519109 MSUIVMSVQSDYPY-UHFFFAOYSA-N 442.298 6.685 30 10 IKEE CC(C)COc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)c1 2323579675 IEQPZVUIZADXMY-UHFFFAOYSA-N 448.902 6.210 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(Cl)c2)cc(OC)c1OCC(=O)N(CC)CC 2323775071 WGYJJHPXKHMHAL-UHFFFAOYSA-N 441.955 5.220 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2C)OC(=CC=Cc2ccccc2)C3=O)c(OC)c1 2323777648 PDKOZIHIICYVSO-UHFFFAOYSA-N 442.467 5.404 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 2323780608 IFDVSLQTBSUTHX-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2F)C3=O)c(OCC)c1 2323780633 LTZMYMILOIGGJD-UHFFFAOYSA-N 448.446 5.459 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4ccc(OC(=O)C(C)C)cc4)cc(C)c3C2=O)o1 2323934294 QCKOCBBUKJJKJF-UHFFFAOYSA-N 446.455 5.293 30 10 IKEE CCN(CC)C(=O)COc1ccc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1Cl 2324366346 UQOWFGYRSYAVIK-UHFFFAOYSA-N 429.944 5.109 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3c(F)cccc3Cl)cc2)cc1Cl 2324607076 CISVFIYPRWDSMR-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE C=CCOc1c(Br)cc(C=CC(=O)c2cc(Cl)ccc2OC)cc1OC 2324705875 BQEIMJIBYMVNRZ-UHFFFAOYSA-N 437.717 5.581 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2Cl)C3=O)cc1C 2325738799 CJICAXQOQYDUPQ-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE CCc1ccc(C(=O)Oc2cc(C=CC(=O)c3ccc(OC)c(F)c3)ccc2OC)cc1 2325748174 BTTVEJIJXGIQTR-UHFFFAOYSA-N 434.463 5.521 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC(=O)[C@@H]1CCCO1 2325753761 FLEIFTVRPXOLSI-QHCPKHFHSA-N 438.520 5.116 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1OC(=O)[C@@H](C)c1ccccc1 2325757319 LEIAMWZEPVDFGG-FQEVSTJZSA-N 444.527 5.926 30 10 IKEE CCC(=O)Oc1cc(C=CC(=O)c2c(C)cc(C)cc2C)c(Br)cc1OC 2325764579 YROWSLIYKCDXCJ-UHFFFAOYSA-N 431.326 5.594 30 10 IKEE CCSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1c[nH]c2ccccc12 2325908758 PMLCIZXFYQEGTM-UHFFFAOYSA-N 446.363 5.639 30 10 IKEE C=CCCN(Cc1ccccc1)[C@](C)(C(=O)O)c1ccc(CNC(=O)OC(C)(C)C)cc1 2326076848 RYXUMTPRYPDBGE-SANMLTNESA-N 438.568 5.089 30 10 IKEE CCOc1ccc2ccccc2c1C=Nn1cnnc1SCc1cccc2ccccc12 2326629416 WVKVDRDHULHJLN-UHFFFAOYSA-N 438.556 6.158 30 10 IKEE CCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1cccc(OCC)c1 2326927143 XHXMWQKDJZZEIU-UHFFFAOYSA-N 438.641 5.820 30 10 IKEE C=CCSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1c[nH]c2ccccc12 2327383480 WQHJYQBMTOJKPQ-UHFFFAOYSA-N 431.565 5.451 30 10 IKEE Cc1ccc(CSc2nnc(Cc3cccc4ccccc34)n2N=Cc2ccc[nH]2)cc1 2327704972 UBFKDOWQBUBLRN-UHFFFAOYSA-N 437.572 5.833 30 10 IKEE CCSc1nnc(CCc2ccc(OC)cc2)n1N=Cc1ccc(Cl)c(Cl)c1 2328574988 ZSCHZUILQSFSJH-UHFFFAOYSA-N 435.380 5.373 30 10 IKEE Cc1ccc(CCc2nnc(SCCc3ccccc3)n2N=Cc2cccs2)cc1C 2328957791 XHALRRIVGKYQOZ-UHFFFAOYSA-N 446.645 5.959 30 10 IKEE CC(C)c1ccc(C=Nn2c(Cc3ccccc3F)nnc2SCc2ccccc2)cc1 2329741279 XQSWBOLRHVTRGM-UHFFFAOYSA-N 444.579 6.306 30 10 IKEE Cc1ccc(CSc2nnc([C@H](C)c3ccccc3)n2N=Cc2ccc(F)cc2F)cc1 2330050845 LNSRQTXVTFUZBZ-GOSISDBHSA-N 448.542 6.191 30 10 IKEE Oc1ccc(Cl)cc1C=Nn1c(CCc2ccccc2)nnc1SCc1ccccc1 2330196905 XJVNKAOMKGISAM-UHFFFAOYSA-N 448.979 5.597 30 10 IKEE C(=Nn1c(SCc2cccc3ccccc23)nnc1-c1ccccc1)c1cccs1 2330683691 JLDWQJJVMVOXDD-UHFFFAOYSA-N 426.570 6.334 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OC(=O)CC(C)C 2330700943 DNEUKMQCCAJLDJ-UHFFFAOYSA-N 432.560 6.150 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3cccc(C)c3)c(OC)c2)cc1 2330742694 XOHSEQJAEWRDFL-UHFFFAOYSA-N 430.500 5.690 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccccc1Cl 2330862983 ZASMLSUSMJLYDD-UHFFFAOYSA-N 449.023 6.848 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CCCC2)cc1 2331077916 PCSGGAQBSKSPSU-UHFFFAOYSA-N 439.028 6.887 30 10 IKEE FC(F)(F)c1nnc(SCc2ccccc2)n1N=Cc1cccc(Br)c1 2331136212 HPXKGLFLKFPKGO-UHFFFAOYSA-N 441.276 5.234 30 10 IKEE CCCCc1nnc(SCc2ccccc2C)n1N=Cc1cccc(Br)c1 2331322954 NBMWEUOVCFYCDI-UHFFFAOYSA-N 443.414 5.866 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1N=Cc1ccc(CC)cc1 2331333095 WLLPKRZJDBMODA-UHFFFAOYSA-N 449.624 5.413 30 10 IKEE CN(C)c1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C(C)(C)C)cc1 2331405044 IOLUGKJHSPMHJQ-UHFFFAOYSA-N 428.005 5.470 30 10 IKEE COC(=O)c1ccc(C=Nn2c(CC(C)C)nnc2SCc2cc(C)ccc2C)cc1 2331457863 QDZLEZDJWUUKGX-UHFFFAOYSA-N 436.581 5.055 30 10 IKEE C=C(C)CSc1nnc(C2CCC2)n1N=Cc1ccc(OCCCCC)c(OC)c1 2331519251 JDCNRZGYUYVJQS-UHFFFAOYSA-N 428.602 5.674 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 2331535473 JSGIDDOPVIYDDQ-UHFFFAOYSA-N 446.518 6.637 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(C(C)C)n2N=Cc2cccc(Cl)c2)c1 2331673468 RBCRMZUMLLMAOR-UHFFFAOYSA-N 441.988 5.285 30 10 IKEE COc1cc(OC)cc(-c2nnc(SCc3ccc(C#N)cc3)n2-c2ccccc2)c1 4211417 XSMQONLGAOTDJP-UHFFFAOYSA-N 428.517 5.115 30 10 IKEE C=C(C)COc1cccc(NC(=O)c2ccc(OCCC(C)C)c(Br)c2)c1 9824329 GQYBEONIGBGJHF-UHFFFAOYSA-N 432.358 6.081 30 10 IKEE Cc1ccccc1CSc1nc2n(n1)[C@@H](c1cccc(Cl)c1)C1=C(CCCC1=O)N2 20327938 MKRBBJFMQOFVSE-NRFANRHFSA-N 436.968 5.554 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C)o2)cc1OC 21223079 STAQCSXUSCJJAN-MYUZEXMDSA-N 444.531 5.975 30 10 IKEE CC(C)Oc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccncc2)cc1 21240038 NVTVRGSKPDTNKJ-DCFHFQCYSA-N 425.532 5.848 30 10 IKEE O=C1N/C(=N\N=C\c2ccc(-c3ccccc3Cl)o2)S[C@H]1Cc1ccccc1Cl 26920626 WJEWVKMDDYAUOL-OGBFJMLUSA-N 444.343 5.418 30 10 IKEE CCOc1cc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3onc(C)c32)ccc1OC 33321068 HNDMICIJUBJPRI-KOSHJBKYSA-N 430.504 5.349 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2ccco2)cc1 33378898 QCGHQIJGFFROCT-QHCPKHFHSA-N 427.456 5.367 30 10 IKEE C=CCNC(=O)c1csc(-c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)n1 34712517 XLDSQYORQPJOBC-UHFFFAOYSA-N 449.359 5.620 30 10 IKEE C=C(C)C(=O)NCCCCCc1nc2ccccc2n1CCOc1ccc(Cl)cc1 40219786 QBAXYLPCXXGMLM-UHFFFAOYSA-N 425.960 5.174 30 10 IKEE CN1CCc2nc(SCc3ccc(Cl)c(Cl)c3)c(C#N)c(-c3ccccc3)c2C1 40570068 ABXJGZLHHWMINY-UHFFFAOYSA-N 440.399 6.207 30 10 IKEE Cc1c(Cc2ccccc2)sc(/N=C/c2cccc(OCc3ccccc3)c2)c1C(N)=O 59472719 ZZCFGFSVRLJLKO-STBIYBPSSA-N 440.568 6.076 30 10 IKEE CC1(C)Cc2cccc(OCC#CCNC(=O)c3ccccc3Oc3ccccc3)c2O1 90733201 CJBGMLWOHYSVDI-UHFFFAOYSA-N 427.500 5.005 30 10 IKEE C=CCOc1ccccc1NCC(=O)NCCCCCCCCCCCCCCCC 100083929 VQTXIJAZNPZPLS-UHFFFAOYSA-N 430.677 7.261 30 10 IKEE Cc1cc(CSc2ccccc2C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)on1 107591615 QRPBVQCNAWVXOA-UHFFFAOYSA-N 447.438 5.340 30 10 IKEE COC(=O)[C@]1(Cc2ccccc2)CN(c2ccc(Cl)cc2)C/C1=N\Nc1ccccc1 109797179 XVFSUOGMXMNHOA-ZDDKYUFNSA-N 433.939 5.030 30 10 IKEE CCN1C(=S)N[C@H](c2ccc(OCc3cccc(Cl)c3)cc2)C2=C1CCCC2=O 169932891 XKJLSFRRJPVNNH-JOCHJYFZSA-N 426.969 5.177 30 10 IKEE Fc1ccc(-c2csc(N/N=C\c3cccc(OCc4ccc(Cl)cc4)c3)n2)cc1 169941713 UTAQQXIDUQRTLP-ZMFRSBBQSA-N 437.927 6.628 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccccc2OC)c1 169943737 DDYYSEPLAKVGKD-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CC(C)Oc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccccc2)cc1 169977409 LGSFOTWQWZQTRN-QHCPKHFHSA-N 447.918 5.910 30 10 IKEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccs2)cc1 169982215 ZYMGLSFUCNBOQE-HXUWFJFHSA-N 438.936 5.250 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccncc2)cc1 170017066 FBGMLIPKJTZNEV-QFIPXVFZSA-N 446.934 5.815 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@H]2c2ccccc2C)c1 170086508 ULLDEZSVPXSBCV-XMMPIXPASA-N 443.499 5.185 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1cccc(OC)c1 170120877 FPYVTDLRRFNPKD-FQEVSTJZSA-N 425.868 5.083 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccs2)cc1C 170155979 RXGZIEMCHVGLKF-NRFANRHFSA-N 437.492 5.296 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2cccnc2)cc1Cl 170187033 MRIYSVVGFYMXKU-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)[C@H]2c2ccncc2)cc1 170204610 NAWFKMWHIUIDEP-JOCHJYFZSA-N 444.874 5.573 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2)ccc1OC(C)C 170223541 JIKSMKIMWSNHIS-XMMPIXPASA-N 445.490 5.704 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1ccc(F)cc1 170240263 UICRMLVCHCCSJZ-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1c[nH]c2ccccc12 170255465 URWABAOXNGLJTF-JOCHJYFZSA-N 448.906 5.946 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)cc(C)c3OC)[C@H]2c2ccco2)cc1 170283246 ZAGMSEJDVQJXBK-JOCHJYFZSA-N 431.488 5.250 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2ccco2)c1 170290890 VMUHPHIZBPCYOT-LJQANCHMSA-N 445.805 5.003 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(C)o2)c1 170297713 WMZAXDBRPYMCNJ-JOCHJYFZSA-N 429.428 5.126 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@@H]2c2sccc2C)cc1 170318747 NVLLWYYXHAKKHD-NRFANRHFSA-N 441.593 6.004 30 10 IKEE Cc1cccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2Cc2ccc(OC(C)(C)C)cc2)c1 170458233 YFOXAOUXMDTYCO-QFIPXVFZSA-N 435.564 5.683 30 10 IKEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)C(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 170470700 IVFCLGLRPGDYHG-QHCPKHFHSA-N 435.564 5.156 30 10 IKEE CCCCCCCCCCn1c(CCCNC(=O)/C=C\c2ccccc2)nc2ccccc21 207845265 YWFPOOXMPSDQLO-DQRAZIAOSA-N 445.651 6.939 30 10 IKEE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/Oc3ccc(C)cc3C2=O)cc1C 213993895 ZQNSOHNRVZFDCS-WGOQTCKBSA-N 436.511 6.171 30 10 IKEE N=C(NN=C1C(=O)N(Cc2ccccc2)c2ccccc21)SCc1ccccc1Cl 252617063 KLMQZKAIVVHJGY-UHFFFAOYSA-N 434.952 5.049 30 10 IKEE O=C(Nc1ccc(Cl)cc1)c1c(N=Cc2ccc(Cl)cc2)sc2c1CCCC2 254378237 OFRHXPHMDIEDAL-UHFFFAOYSA-N 429.372 6.937 30 10 IKEE CCCCCCCCCC[C@@H](N)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 406526413 ZRZKMVJIPKFYRW-LJQANCHMSA-N 441.454 7.327 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3cccc4ccccc34)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 526491264 KWMAMSGGGLLDFY-RUZDIDTESA-N 447.450 5.677 30 10 IKEE CCOc1cc([C@@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)ccc1O 526521012 JUXRSTVUERRXJI-XMMPIXPASA-N 426.472 5.028 30 10 IKEE CCOc1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1Cl 526523522 ZFURXBWASCHZGA-QHCPKHFHSA-N 448.881 5.807 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(SCc3ccco3)C2=O)cc1Cl 526668025 OEMOEVUZGAKCCP-UHFFFAOYSA-N 449.919 5.243 30 10 IKEE COc1cccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccccc2F)c1 526803760 LOVZAIMPBKNWQX-PKAZHMFMSA-N 446.551 5.386 30 10 IKEE COc1ccc(/C=N\n2c(C)nnc2SCc2ccc(C(C)(C)C)cc2)c(Cl)c1O 526805740 OZRVIWWEYZBYTM-MSXFZWOLSA-N 444.988 5.426 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1cccc(OCC)c1 526807957 GOAVZOORCDJFTG-IWIPYMOSSA-N 428.989 5.847 30 10 IKEE CC(C)Oc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)[C@@H]2CCCC[C@@H]2C)cc1 586151308 SMENBUFOCHEJRV-YADARESESA-N 426.582 5.115 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@@H]3C[C@@H](CN3Cc3ccccc3)C2)c1 716622116 SYYQYTYQHZLHLK-MRCUYLHHSA-N 447.579 5.384 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(C)ccc(Br)c1F 721195081 RXHACZXPOVIHMW-YJBOKZPZSA-N 429.374 5.407 30 10 IKEE N#Cc1ccccc1NC(=S)/C(=C(/O)c1ccc2c(c1)CCC2)[n+]1cc(O)cc(Cl)c1 738013137 NACBBIYVSDKHCO-UHFFFAOYSA-O 448.955 5.017 30 10 IKEE C=CCn1c(-c2ccccc2C)nn(CN(C)Cc2nc3c(s2)CCCC3)c1=S 765050671 HAKDSNVMAPWIPD-UHFFFAOYSA-N 425.627 5.000 30 10 IKEE CCCCOc1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2cccc(O)c2)cc1 789400425 CQTOFYNNYOWCBO-UHFFFAOYSA-O 446.552 5.054 30 10 IKEE O=C1/C(=C/c2ccc3c(c2)OCO3)SC(=Nc2cccnc2Cl)N1c1ccccc1 1772732868 HGOUCBDFVVWWPC-JKJUGIAJSA-N 435.892 5.272 30 10 IKEE C=CCN1C(=O)/C(=C(/C)c2ccc(C)c(C)c2)SC1=Nc1nc(-c2ccccc2)cs1 1772740355 ZWUIAMGQVAVJDA-KTKJOGEJSA-N 445.613 6.607 30 10 IKEE CC(C)(C)C1CCC(N(C(=O)c2cccc(C#N)c2)c2cccc(C(F)(F)F)c2)CC1 1859960508 NWXDAUGZONTIPL-UHFFFAOYSA-N 428.498 6.829 30 10 IKEE CCCCCCCCNC(=O)[C@@H](NC(=O)c1c(Cl)ccc(Cl)c1Cl)[C@@H](C)CC 1861150316 MXWVLWDAVPJMJX-LIRRHRJNSA-N 449.850 6.268 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)c1ccccc1 1862144879 QCYNYKLJSJOUFD-SDNYCIMKSA-N 429.347 5.065 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(O)cc1 1862430408 JSKDEHLYBLSXGV-HTAPYJJXSA-N 441.955 5.983 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccccc2Cl)cc1 1862491132 MPCVMKVLCFPBIF-DEOSSOPVSA-N 445.946 6.044 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(C(C)C)cc2)cc1 1862534454 RNGNMONWPOMRQL-SANMLTNESA-N 445.603 6.674 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccc(OC)cc2)cc1 1862535148 ALSMINWWHOFUFO-RUZDIDTESA-N 447.575 5.949 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862539320 RJKGPZPXVUVLFZ-FQEVSTJZSA-N 432.347 5.934 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CCC(C)C)cc1 1862581159 ACQQTOFUTDZEJZ-HXUWFJFHSA-N 448.346 5.626 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2cccs2)c1 1862659628 BKPWGUJXXLCMMC-HSZRJFAPSA-N 431.557 5.958 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CC(C)C)cc1 1862696205 NXBBRBSYYQRULX-HSZRJFAPSA-N 437.536 5.108 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCC(C)C)cc1O 1862718222 WGVQOQBXIYAHEM-DEOSSOPVSA-N 445.515 5.178 30 10 IKEE N#Cc1ccc(NC2=C(c3cccs3)C(=O)N(c3ccccc3C(F)(F)F)C2=O)cc1 1863114867 IYMISFFZTYBLNZ-UHFFFAOYSA-N 439.418 5.035 30 10 IKEE N#Cc1cccc(N2C(=O)C(Nc3ccccc3Cl)=C(c3c[nH]c4ccccc34)C2=O)c1 1863131333 IEZPMEWSNRSAHF-UHFFFAOYSA-N 438.874 5.090 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@H](C)CC)=C(c2ccc(OCC)cc2)C1=O 1863568984 ZOVUQXQDKLWAHD-HXUWFJFHSA-N 428.617 5.694 30 10 IKEE CCC[C@H](NC(=O)C[C@H](c1ccc(Cl)cc1)C(C)C)C(=O)Nc1ccccc1C#N 1866760401 DUMDDXJYDFAXGN-UNMCSNQZSA-N 425.960 5.265 30 10 IKEE CCC[C@H](NC(=O)[C@@H](c1ccc(Cl)cc1)C1CCCC1)C(=O)Nc1ccccc1C#N 1867006018 PEWGQAXMNOIEMT-XZOQPEGZSA-N 437.971 5.409 30 10 IKEE CC(C)(C)c1nc(Nc2ccc(C#N)cc2)cc(N2CCO[C@@H](c3cccc(Cl)c3)C2)n1 1868355317 FSHVQUFFGBGJSY-OAQYLSRUSA-N 447.970 5.621 30 10 IKEE N#Cc1nnn(-c2ccc(Oc3ccccc3)cc2)c1NC(=O)/C=C/c1cccc(Cl)c1 1870143380 JUFSSSNQBCWICI-NTEUORMPSA-N 441.878 5.237 30 10 IKEE C=CCn1cc(OCc2c(Cl)cccc2Cl)c(=O)cc1CSc1ccccc1 1870163639 SVRHVELANISTKG-UHFFFAOYSA-N 432.372 6.212 30 10 IKEE C=CCOc1cn(Cc2ccccc2)c(CSc2ccc(Br)cc2)cc1=O 1870244444 PMMIDEMRZRTIKU-UHFFFAOYSA-N 442.378 5.516 30 10 IKEE C#CCOc1cn(Cc2ccc(Cl)cc2)c(CSc2ccc(Cl)cc2)cc1=O 1870302462 REOBYMPGTFJYQX-UHFFFAOYSA-N 430.356 5.508 30 10 IKEE CCCCCCCCCCn1cc(OCc2ccc(Cl)cc2)c(=O)cc1CN(C)C 1870439598 JLGJKQCYUBWSLJ-UHFFFAOYSA-N 433.036 6.283 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc(C)c2)cn1CCc1ccccc1 1870619638 QUHUBAYMRQGDQI-UHFFFAOYSA-N 428.576 5.152 30 10 IKEE CCCCCCCCCCn1cc(OCc2ccc(F)cc2)c(=O)cc1CN1CCCC1 1870625279 XAPKAOLUIILUFP-UHFFFAOYSA-N 442.619 6.303 30 10 IKEE CCCCCCCOc1cn(CCCC)c(CNc2ccc(OC)c([N+](=O)[O-])c2)cc1=O 1870830509 RRSZXVMYOQICNE-UHFFFAOYSA-N 445.560 5.527 30 10 IKEE C#CCOc1cn(Cc2ccccc2Cl)c(CNc2cccc(Cl)c2C)cc1=O 1871005709 UNQYHDLAAVRLHQ-UHFFFAOYSA-N 427.331 5.136 30 10 IKEE CCCCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CNc1ccc(F)cc1 1871255907 UQAAEIRQCTWOPA-UHFFFAOYSA-N 444.635 7.165 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc4c3CN(CCc3cn(C)c5ccccc35)CO4)C2=O)o1 1871344991 MQAKLYGGRLRKIT-MXAYSNPKSA-N 440.499 5.091 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OC(=O)CCc4ccc(Cl)cc4)c3C)C2=O)cc1 1871368482 JCNAGNSFPYMFTL-JLPGSUDCSA-N 446.930 6.365 30 10 IKEE CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O 1871402295 HJYJVOHFKCDYPE-DNPFKWNUSA-N 447.462 5.247 30 10 IKEE Cc1cccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2)C3=O)c1C 1871413884 PZQXAMRDPPYBBD-QHSFOXILSA-N 427.500 5.634 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1ccc2c(c1C)O/C(=C\c1ccc(C)cc1)C2=O 1871429577 SKCOKHFGAZCCOG-QYJRXKHCSA-N 436.548 6.201 30 10 IKEE C=CCN=c1nc(Nc2ccc(N3CCCCC3)cc2)[nH]c(N(CCCC)CCCC)n1 1871608485 YKOYKBMXWOHGJY-UHFFFAOYSA-N 437.636 5.032 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(C(C)C)cc1)[C@@H](C)CC)S(=O)(=O)c1cccs1 1871851160 LSHYUWDADJXWFV-AVRDEDQJSA-N 448.654 5.492 30 10 IKEE COC(=O)c1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 1872760045 GBDSUTHJHCYERD-MKGTUJQCSA-N 438.508 5.640 30 10 IKEE N#C[C@H](C(=O)/C=C/c1ccc(Cl)cc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872763604 PYIOAZRKBORROO-KZJSRBBCSA-N 444.299 5.915 30 10 IKEE Cc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3cccc(Cl)c3)cs2)c(C(C)(C)C)c1 1872767387 YSILGATYQDYFBK-SFHVURJKSA-N 438.980 6.325 30 10 IKEE CCCCCCCCCCN1C[C@H](C(=O)N2CCc3c([nH]c4ccc(F)cc34)C2)CC1=O 1872997111 BAMPVAUUZUAOBE-LJQANCHMSA-N 441.591 5.181 30 10 IKEE CCCCCCCCCCNC(=O)COc1ccc2c(c1)OC1(CCC(C)CC1)CC2=O 1873934869 BIIIXBNZKFFXNL-UHFFFAOYSA-N 443.628 6.236 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccc(Cl)cc3)n2/N=C/c2ccc[nH]2)c1 1874263554 FHCIJPHQHWIUOY-DHRITJCHSA-N 437.956 5.322 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(Cc2cccc3ccccc23)nnc1SCCC 1874271030 ANBDFGIHMHPDPV-ZXVVBBHZSA-N 442.588 5.971 30 10 IKEE CCCCC1CCC(c2nnc(SCC)n2/N=C/c2ccc(C(F)(F)F)cc2)CC1 1874285137 QJTFSCPWSROOGC-CVKSISIWSA-N 438.563 6.755 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3C)n2/N=C/c2ccco2)c(C)c1 1874326024 URXRWPIRGAJTBV-AFUMVMLFSA-N 432.549 5.550 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2cc(Cl)ccc2O)cc1 1874389444 PFOLXHTUKFKWKE-CVKSISIWSA-N 448.979 5.711 30 10 IKEE COc1cccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccc(C)cc2)c1O 1874415444 QADOWPOCOOVEJN-WGOQTCKBSA-N 444.560 5.066 30 10 IKEE CCCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1/N=C/c1ccc(Cl)cc1 1874477887 NPKFWCVFZDDGGE-YDZHTSKRSA-N 446.960 5.218 30 10 IKEE Cc1ccc(CSc2nnc(C(C)(C)C)n2/N=C/c2ccc(C(F)(F)F)cc2)cc1 1874480897 GWDGCOAFXHMUFK-LGJNPRDNSA-N 432.515 6.077 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc(Cl)c2)n1/N=C/c1cccc2ccccc12 1874485808 NKEKACLMLDQHPU-CVKSISIWSA-N 434.996 6.557 30 10 IKEE COC(=O)c1ccc(CSc2nnc(CC(C)C)n2/N=C/c2cccc3ccccc23)o1 1874488262 SZEWUZVYTPGYEB-AFUMVMLFSA-N 448.548 5.184 30 10 IKEE CC(C)c1nnc(SCc2cccc3ccccc23)n1/N=C/c1cccc2ccccc12 1874514666 FLVAHAPYHPLLSG-OGLMXYFKSA-N 436.584 6.882 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(CC)n2/N=C/c2cccc3ccccc23)cc1 1874523915 OKYYGFDDRYYMDO-WGOQTCKBSA-N 443.576 5.169 30 10 IKEE Cc1cccc(OCc2nnc(S)n2/N=C/c2ccc(OCc3ccccc3)cc2)c1C 1874563153 MNBYVLLNXONCJL-CVKSISIWSA-N 444.560 5.224 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccccc1Cl 1874574753 DRRQOVNKDUUGDF-ZRDIBKRKSA-N 440.326 6.215 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)cc2)cc1 1874577880 KDEDDMGEMDXZBL-RIYZIHGNSA-N 449.934 5.961 30 10 IKEE COc1cccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)c1OCc1ccc([N+](=O)[O-])cc1 1874585770 FBJKBPXBMJZPHW-SDNWHVSQSA-N 445.515 6.312 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC)c2OCCc2ccccc2)c(OCC)c1 1874589503 PFVCZGVJBYQQIW-SAPNQHFASA-N 446.543 6.010 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2cccc(OCc3ccc(C)cc3)c2)cc1Cl 1874599885 JIYIDZHEVYPIJS-ZHACJKMWSA-N 427.327 6.786 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc1OCc1cccc(Cl)c1 1874601079 RTLOUFRGADMIHX-RMKNXTFCSA-N 443.326 6.486 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)cc1OCCc1ccccc1 1874601190 YFIRUCXOPDPKOY-JLHYYAGUSA-N 448.515 5.239 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 1874604839 HYWVTAKGNBCWFT-OQLLNIDSSA-N 431.488 6.031 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)cc3C)c(OC)c2)cc1 1874604883 JWNHDACLYXILHE-NTEUORMPSA-N 443.543 5.788 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3)c(Br)c2)cc1 1874606636 YLBWXBHHTIJIGQ-FOWTUZBSSA-N 449.388 7.267 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(OC)c1OCC(=O)OCC(C)C 1874613443 UQFHFCBJUZFEDJ-ZHACJKMWSA-N 442.939 5.551 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3F)c(Br)c2)c(C)c1 1874617420 AIMKQSBDMDBBGN-DHZHZOJOSA-N 439.324 6.680 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OCC(=O)OCC(C)C 1874617642 MYNQKOLFHHBEQN-ZRDIBKRKSA-N 436.548 5.515 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1 1874622223 SBOWUWOCFAUAKO-XDHOZWIPSA-N 441.571 6.460 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OCCO)c([N+](=O)[O-])c2)cc1 1874624731 SHFSXJAEDWJMGQ-NTUHNPAUSA-N 427.497 5.211 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Cl)c1OCc1ccc(C)cc1 1874626342 ZRKGNRYYAACROY-JXMROGBWSA-N 428.862 6.410 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OCc1ccc(Cl)c(Cl)c1 1874627844 ZFIZZFNEOBBGLE-FPYGCLRLSA-N 449.280 6.755 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3)c([N+](=O)[O-])c2)cc1C 1874633353 YFFYNBMHMJYFQJ-FMIVXFBMSA-N 430.460 5.125 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(F)cc2)CSc2nnc(C3CCCC3)n21 1874922025 ADJRNVDGNWDXME-NRFANRHFSA-N 444.620 6.137 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc4cc(Cl)ccc4n3)cc2)cc1 1875100363 ZYFVRIYMGQCBLI-FRKPEAEDSA-N 441.914 6.566 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)c1ccc(N(C)C)cc1 1875134583 ZNBWXXMVMXYRCY-VGOFMYFVSA-N 429.516 5.493 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1cccc(OC)c1 1875142209 POCUZDDPZFULIV-XYOKQWHBSA-N 434.463 5.657 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)c1cccc(C)c1 1875147735 IYZPWYMZXPBFCJ-JXMROGBWSA-N 444.483 5.280 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OC(=O)c1ccccc1C 1875154478 HGOFKPPUMXHPJJ-BMRADRMJSA-N 436.507 6.662 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)C3CCCC3)c(Cl)c2)cc1C(C)C 1875162418 CKVNYAAAIMBGHV-PKNBQFBNSA-N 440.967 6.772 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1 1875168412 BEFOXEBHEBUKMH-FOWTUZBSSA-N 442.555 6.363 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2ccc(OC(=O)C(C)(C)C)c(Cl)c2)cc1Cl 1875185989 YWJOZSZBMLHCHQ-FNORWQNLSA-N 441.738 6.503 30 10 IKEE C#CCC1(NC(=O)[C@@H](CC)NC(=O)OCC2c3ccccc3-c3ccccc32)CCCCC1 1901480133 BXKLEBFBOQYEPC-RUZDIDTESA-N 444.575 5.146 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCCCC[C@]1(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 1912199170 PGELNNXOQWUAKG-HRAATJIYSA-N 436.557 5.044 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CCC[C@@]2(C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)C1 1918328627 FMIXAAIVQMZOHL-QHCPKHFHSA-N 447.601 5.169 30 10 IKEE CC[C@@](C#N)([C@H](C)NC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)c1ccc(OC)cc1 1944154350 UYSVQXXJJWQPJF-QMHKHESXSA-N 433.549 5.022 30 10 IKEE C=C1CCC(C[C@H](NCCC)[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)CC1 1946537169 BRGJZWPIOQAVHG-BJKOFHAPSA-N 430.633 5.601 30 10 IKEE C#Cc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)(C)C(=O)O)cc1 1951785452 XXZAYXSFZMHIFJ-RUZDIDTESA-N 439.511 5.359 30 10 IKEE N#Cc1csc([C@H]2[C@@H](C(=O)O)CCN2C(=O)OCC2c3ccccc3-c3ccccc32)c1 1952915135 XTDXWAPEMVRTJR-NZQKXSOJSA-N 444.512 5.016 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1C[C@H]2CCC[C@H]2N1C(=O)OC(C)(C)C 2000626234 LAEQMGWYFFYOBH-LWSSLDFYSA-N 428.617 5.306 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 2016224489 KAKVYDKYFWEQJK-UZUQRXQVSA-N 449.617 5.415 30 10 IKEE O=[N+]([O-])c1ccc(-c2ccc(-c3nn(-c4ccccc4)cc3C=NCc3ccccc3)o2)cc1 2053515444 UAMJGMFGFWOJIY-UHFFFAOYSA-N 448.482 6.327 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)[C@H]2CC[C@H]21 2057587411 WJDVHWQQVUFJLM-XLNZFTOWSA-N 445.535 5.249 30 10 IKEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Cl)cc(Br)c1 2081563232 TXVDWLBWVXAQFW-IAGOWNOFSA-N 429.786 5.060 30 10 IKEE C=C([C@@H](NCC)c1ccc(Br)cc1I)[Si](C)(C)C 2086147715 QMPTXGQGIMCHNP-CQSZACIVSA-N 438.223 5.138 30 10 IKEE C=C([C@H](NCCC)[C@H](O)c1scc(Br)c1Br)C(C)(C)C 2152975430 BURITSSTSAQMIG-STQMWFEESA-N 425.230 5.277 30 10 IKEE CC(C)(C)OC(=O)NCCc1ccc(CNc2ccc(C#N)cc2Br)cc1 2162418759 VZIAQPVWNUYGRV-UHFFFAOYSA-N 430.346 5.000 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(CCCNc2ccc(Br)cc2C#N)cn1 2169163998 URXCFXMVIKNYJV-UHFFFAOYSA-N 431.334 5.107 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCCCN2c2ccc(C#N)c(Br)c2)CC1 2178252144 IKIKWOKVPKKFGF-UHFFFAOYSA-N 434.378 5.081 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)CCC12CC2 2220216808 UFBHVASZRNFVDO-XMMPIXPASA-N 445.535 5.393 30 10 IKEE CN[C@@H](C#Cc1cccc(Cl)c1)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2239569556 RGYDTPJBLUEKIN-SFHVURJKSA-N 449.776 5.762 30 10 IKEE CCCCCCCC[C@@H](NCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2256705125 VBAQRSOCUXSMER-XMMPIXPASA-N 446.676 6.169 30 10 IKEE CC(C)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N(Cc2ccccc2)CC(F)F)c1 2267576519 LYNZGESLDVHWOR-UHFFFAOYSA-N 443.343 5.017 30 10 IKEE CC(C)N[C@@]1(C#N)CCCC[C@@H]1CCN(CCN(C)Cc1ccccc1)Cc1ccccc1 2273186741 BHUCCFHLAVFELI-FQLXRVMXSA-N 446.683 5.461 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(OC(=O)c3ccccc3F)c(Cl)c2)SC1=S 2293806421 RNOCWFLRPCOQEB-UHFFFAOYSA-N 433.913 5.086 30 10 IKEE O=C1C(=Cc2cccc(Cl)c2)Oc2cc(OS(=O)(=O)c3ccc(Cl)cc3)ccc21 2296871439 XPGHZIMFXBSDLN-UHFFFAOYSA-N 447.295 5.377 30 10 IKEE O=C1C(=Cc2c(F)cccc2Cl)SC(=Nc2cccnc2Cl)N1c1ccccc1 2314540488 RCFGZKYBYBXAJH-UHFFFAOYSA-N 444.318 6.336 30 10 IKEE CSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1N=Cc1cccc(Cl)c1 2321386552 MCHSMYJZQMRXQD-UHFFFAOYSA-N 449.407 5.817 30 10 IKEE Cc1cc(OCc2ccc(F)cc2Cl)cc2c1C(=O)C(=Cc1ccc(Cl)cc1)O2 2321862763 OLNSAHJESZCXHX-UHFFFAOYSA-N 429.274 6.636 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(C(C)C)cc1)O3)CN([C@@H](C)c1ccccc1)CO2 2322092516 DFEJUGWXLJZEND-FQEVSTJZSA-N 439.555 6.648 30 10 IKEE CCOc1ccc(C=CC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1 2322145928 BKENPJJNEGODLV-UHFFFAOYSA-N 434.495 6.536 30 10 IKEE Cc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCCCc2ccccc2)C4)cc1 2322252132 QNARYWFITIWXCT-UHFFFAOYSA-N 439.555 6.094 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(F)cc2F)c1OCC(=O)Nc1cccc(C)c1 2322502546 DLUJAYPPTZRKNQ-UHFFFAOYSA-N 437.442 5.195 30 10 IKEE COc1c(Br)cc(C=NNc2ccc(C)c(C)c2)c(OC)c1Br 2322922725 JATBAAGDLWPCSR-UHFFFAOYSA-N 442.151 5.292 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cc(Br)ccc1OCCCO 2322922872 QJFVWWCHPLYPLI-UHFFFAOYSA-N 439.733 5.077 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cccc(OCC(=O)Nc2cccc(C)c2)c1 2323260357 XJMGYWPALINJMZ-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1OCc1ccccc1 2323306695 UWBIQHCKEWECLU-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccc2ccccc2c1 2323395557 ITEVNMATGMFQKH-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE Cc1nc2ccc(C(=O)Oc3ccc4c(c3C)OC(=Cc3cccs3)C4=O)cc2nc1C 2323556707 KGSSJEGRTXBGGB-UHFFFAOYSA-N 442.496 5.452 30 10 IKEE CCCCCCCCCOc1ccc(C=Nn2c(S)nnc2C(F)(F)F)cc1Cl 2323561198 OOKUZVSUIGHWGH-UHFFFAOYSA-N 448.942 6.251 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(F)cc2)c(Br)c1)c1cccc(Cl)c1 2323766707 KYBOCCXXLKQHEU-UHFFFAOYSA-N 445.715 6.717 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)cc1 2323829748 OLQKSCWZTRMSSH-UHFFFAOYSA-N 432.447 5.758 30 10 IKEE COc1cc(C=NNc2nc(-c3ccc(C)cc3)cs2)ccc1OCc1ccccc1 2323865692 NRDZMCPAUOOMIA-UHFFFAOYSA-N 429.545 6.152 30 10 IKEE O=C(C=Cc1ccc(OCc2c(F)cccc2Cl)cc1)c1ccc(Cl)c(Cl)c1 2323874012 FWRZZYQMFAZVHA-UHFFFAOYSA-N 435.709 7.261 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Cl)c1OCc1cccc(F)c1 2324234653 KIBJHANWTXDEIP-UHFFFAOYSA-N 432.825 6.241 30 10 IKEE C[C@@H](Oc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O)C(=O)Nc1ccc(F)cc1 2324306759 OHPGRSHFDQGOBI-QGZVFWFLSA-N 429.447 5.404 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2sccc2C)C3=O)cc1 2324492520 DRJHKIXDSJUNMM-KRWDZBQOSA-N 447.556 5.950 30 10 IKEE Cc1cccc(OCCCCOc2cc(C)c3c(c2)OC(=CC=Cc2ccccc2)C3=O)c1 2324574662 LHIJLBCREXMEDS-UHFFFAOYSA-N 440.539 6.714 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)ccc1OCc1cc(C)ccc1C 2324586360 XXOOEISJEISXMZ-UHFFFAOYSA-N 442.599 7.393 30 10 IKEE Cc1cc(OCCN2CCCCC2)cc2c1C(=O)C(=Cc1ccc(-c3ccccc3)cc1)O2 2325701795 JSNVTMRCYPXLQL-UHFFFAOYSA-N 439.555 6.143 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)CSc3ccccc3)c2)cc1OC 2325704009 QYEZGHJUZSNWTE-UHFFFAOYSA-N 434.513 5.298 30 10 IKEE Cc1cc(OCC(=O)Nc2cccc3ccccc23)cc2c1C(=O)C(=Cc1cccs1)O2 2325707130 KMPZZKTUCHUNIO-UHFFFAOYSA-N 441.508 5.843 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OCC(=O)Nc3cccc4ccccc34)c2C)C1=O 2325707452 VUCUGKAYIIXXEA-UHFFFAOYSA-N 449.506 6.090 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(OCC(C)C)cc3)c2)c(C)c1 2325736289 WOHYXQDTVKUFAO-UHFFFAOYSA-N 428.528 6.454 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1c(C)[nH]c2ccccc12 2326570158 NQRROUYJRRLKAW-UHFFFAOYSA-N 427.936 5.597 30 10 IKEE CSc1nnc(CCCOc2ccccc2C)n1N=Cc1ccc(Cl)c(Cl)c1 2327048378 QPAOMERDHFNXLM-UHFFFAOYSA-N 435.380 5.509 30 10 IKEE CCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1cc(Cl)ccc1O 2327268040 IJWVOOAQGICHSU-UHFFFAOYSA-N 430.961 5.136 30 10 IKEE CCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(Cl)cc1Cl 2327739327 CVFMUMBNZINEEU-UHFFFAOYSA-N 441.387 6.323 30 10 IKEE O=[N+]([O-])c1ccccc1Cc1nnc(SCc2ccccc2)n1N=Cc1cccs1 2328486213 DQVHKDGUUGWXAK-UHFFFAOYSA-N 435.534 5.013 30 10 IKEE Cc1cccc(OCc2nnc(SCc3ccccc3)n2N=Cc2ccccc2F)c1C 2328846880 HDYOSNJNCBJWEI-UHFFFAOYSA-N 446.551 5.788 30 10 IKEE Cc1ccc(OCc2nnc(SCCc3ccccc3)n2N=Cc2ccccn2)c(C)c1 2328902407 VJESUQAZPFMRJN-UHFFFAOYSA-N 443.576 5.086 30 10 IKEE Cc1ccccc1C=Nn1c(COCc2ccccc2)nnc1SCCc1ccccc1 2329348015 WGHGDNRSJRWQGG-UHFFFAOYSA-N 442.588 5.520 30 10 IKEE C=CCSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(OCCCC)cc1 2329590560 IKSFQTLGKJPQBA-UHFFFAOYSA-N 426.973 5.938 30 10 IKEE CCCSc1nnc(Cc2ccccc2F)n1N=Cc1ccc(OC(C)C)c(OC)c1 2329761539 CAVXSJNUANNDMF-UHFFFAOYSA-N 442.560 5.188 30 10 IKEE Cc1ccccc1C=Nn1c(SCCc2ccccc2)nnc1[C@@H](C)c1ccccc1 2330110440 NBFVPYSVFZVCMC-NRFANRHFSA-N 426.589 5.955 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccccc2)n1N=Cc1ccc(C(=O)O)cc1 2330634774 HHHLOAOCSYQALP-UHFFFAOYSA-N 428.517 5.126 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1OCC 2330635150 LIKYZSLXQXZRBH-UHFFFAOYSA-N 431.872 5.639 30 10 IKEE Cc1cccc(C=Nn2c(SCC(=O)Nc3ccc(F)cc3)nnc2-c2ccccc2)c1 2330651534 KJFBAIIFOWHBLR-UHFFFAOYSA-N 445.523 5.006 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1cccc(Cl)c1 2330705339 HDGVOZHSICPZOI-UHFFFAOYSA-N 446.930 6.343 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3sccc3C)c(OC)c2)cc1OC 2330736050 IQUOLLQQGOXNEK-UHFFFAOYSA-N 438.501 5.198 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(O)c(O)c1 2330849542 JMHZVLDRPMWIRQ-UHFFFAOYSA-N 430.961 5.106 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)ccc1OC(=O)c1cc2ccccc2n1C 2330950880 ZVJUYSQVFZHHHZ-UHFFFAOYSA-N 445.902 5.956 30 10 IKEE Oc1ccccc1C=Nn1c(SCc2c(Cl)cccc2Cl)nnc1[C@H]1CCCO1 2330976862 HQTJAUPANDUTAC-GOSISDBHSA-N 449.363 5.317 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2OC)cc(OC)c1OC(=O)CCCCCC 2331080381 RWZIICPMQAAPMA-UHFFFAOYSA-N 436.548 6.204 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Br)c1OC(=O)C1CCC1 2331152014 XNIUATZLTHSDGQ-UHFFFAOYSA-N 449.728 5.713 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)c(C)c1 2331216127 KRFSNWGGZVOZAA-UHFFFAOYSA-N 446.415 5.235 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1)c1ccc(Cl)c(Cl)c1 2331238965 HLBSULRYKKOCQY-UHFFFAOYSA-N 447.317 7.262 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3Cl)c([N+](=O)[O-])c2)c1 2331322606 RHZLSLIWGNCSMM-UHFFFAOYSA-N 449.890 5.909 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Br)c1OC(=O)C(C)(C)C 2331325271 DPWWCYXAXSQJLD-UHFFFAOYSA-N 445.353 5.922 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)Cc1ccccc1 2331333965 RTPUJRUKHRVMOL-UHFFFAOYSA-N 434.463 5.196 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(F)c2)ccc1OC(=O)[C@@H](C)c1ccccc1 2331463967 KCHGIQXRCXTBSF-SFHVURJKSA-N 448.490 5.838 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2Cl)c1 2331493169 DSAJJFJQOHWMIM-UHFFFAOYSA-N 446.974 7.124 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)Oc1ccc(C=CC(=O)c2ccc(F)cc2)cc1 2331512851 XDHRTJKLVLMMIC-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)COc1ccccc1 2331539246 ABSZBDMBWSIVSS-UHFFFAOYSA-N 446.474 5.443 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)c1cccc(F)c1 2331556240 ZMAFKMKWFFIBKF-UHFFFAOYSA-N 442.389 5.236 30 10 IKEE COCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1sccc1C 2331611827 KXYBCHKAZIWGTE-UHFFFAOYSA-N 427.382 5.276 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OC(=O)C1CCCC1 2331645314 CEECQWMIHQZDAA-UHFFFAOYSA-N 436.548 5.929 30 10 IKEE CC(C)[C@](C)(CNC(=O)OC(C)(C)C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339596681 RPOBPOOISWYZNH-DEOSSOPVSA-N 446.397 5.044 30 10 IKEE CO[C@]1(C)C[C@@H]2C[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2356217904 BCYKYHBRSFRDEJ-VUEDXXQZSA-N 435.362 5.288 30 10 IKEE O=C1CCCC2=C1[C@@H](c1ccc([N+](=O)[O-])o1)Nc1ccc(C(=O)c3ccccc3)cc1N2 4165205 MIXRBHVLJOQBJI-HSZRJFAPSA-N 429.432 5.005 30 10 IKEE C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@@H](CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 16138613 FVWJYYTZTCVBKE-OADXUDIRSA-N 442.728 6.997 30 10 IKEE CCN1C(=O)/C(=C/c2c(Cl)cccc2Cl)S/C1=N\c1ccc(C(=O)O)c(O)c1 16928091 XLGKOPXQNRLUAS-KISZYUCXSA-N 437.304 5.021 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1ccc(-c2cc(Cl)ccc2Cl)o1 17096322 OXZTWKVFHAQONN-LJQANCHMSA-N 429.307 5.503 30 10 IKEE COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(OC)c(O)c2)c1 21226375 SKQXGXBLKZHGEP-MYUZEXMDSA-N 442.515 5.389 30 10 IKEE COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)ccc1O 21247565 ZKTIAAKGVWHPFA-QLXKLKPCSA-N 446.934 6.034 30 10 IKEE COc1ccccc1/C=C1/S/C(=N\c2ccc(C)c(C)c2)N(c2ccc(C)c(C)c2)C1=O 33348069 BHJMIYJHPKGHJO-PIINERKHSA-N 442.584 6.737 30 10 IKEE CC(C)c1nc(C#N)c(N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)o1 33959107 YOAMSPXXNLNCPO-LGJNPRDNSA-N 430.899 5.622 30 10 IKEE CCOc1ccc(Nc2oc(-c3ccc(OCc4ccccc4Cl)cc3)nc2C#N)cc1 39841544 XOSCSHXSNNBOPP-UHFFFAOYSA-N 445.906 6.588 30 10 IKEE C=C(C)C(=O)NCCCCCc1nc2ccccc2n1CCCCOc1cc(C)cc(C)c1 40219842 XSAFUEWUFRXYRL-UHFFFAOYSA-N 447.623 5.917 30 10 IKEE Cc1cc(OCC(=O)Nc2sc(=S)c3c(c2C#N)CC[C@H](C)C3)cc(C)c1Cl 41014245 NIKYFCNLTUWTDV-NSHDSACASA-N 432.998 5.762 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)cc(C)c3C2=O)c1 41288597 KEQBGMLWEYQMOU-IWIPYMOSSA-N 442.511 6.137 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(C)c2)C3=O)c1 41292833 GKIJLPXJJWQSMN-RMORIDSASA-N 430.456 5.156 30 10 IKEE COc1ccc(CN2COc3cc(C)c4c(c3C2)O/C(=C\c2ccc(C)cc2)C4=O)cc1 41644336 TVNMFCUNRVWGFH-CFRMEGHHSA-N 427.500 5.280 30 10 IKEE C(=N/c1ccc(-c2ccccc2)cc1)\c1ccc(/C=N/c2ccc(-c3ccccc3)cc2)cc1 59503678 XWASKHVPYTVNRO-IENBMRAWSA-N 436.558 8.522 30 10 IKEE CCCCCCCOc1cccc(NCC(=O)Nc2cccc(NC(=O)c3ccco3)c2)c1 100090447 MUPHZHOROJWRMK-UHFFFAOYSA-N 449.551 5.932 30 10 IKEE COc1cc(/C=N/Nc2ccc(Cl)cc2)ccc1OCc1c(Cl)cccc1Cl 169878722 XPUJTKSROBAVIN-BRJLIKDPSA-N 435.738 6.680 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccc(O)cc2)c1 169960389 ZJRWTCQBUPXBSP-DEOSSOPVSA-N 438.483 5.273 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccc(C)c1 169970480 VSYZAUMMRMVXHT-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2cccc(C)c2)c1 169972351 MMFLRJUXNMVEOC-XMMPIXPASA-N 445.490 5.311 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(O)c(Cl)c2)ccc1F 170042177 RVDKEIXPHVUWOT-OAQYLSRUSA-N 443.902 5.404 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(F)cc1 170064964 KOROEOUHZQQMTA-DEOSSOPVSA-N 447.506 5.372 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2OC)cc1Cl 170122428 YOHPBHPIQAWHQL-JOCHJYFZSA-N 449.890 5.140 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2cccs2)c1C 170158761 NSHMBJPXRNWOQO-XMMPIXPASA-N 443.568 6.027 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1cccnc1)c1ccc2c(c1)CCCC2 170188847 YQZGHXSYDFDOAM-QHCPKHFHSA-N 444.918 5.397 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccc2)cc1Cl 170228761 HEIGSVIPQNDFTD-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1ccccc1F 170249746 AJADOMUTLPJXEU-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2C2CCCCC2)cc1 170266560 FQJHTCRIJBMNNQ-DEOSSOPVSA-N 449.547 5.177 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)[C@@H]2c2ccco2)c1 170285762 OSJGTGJBDLYIKT-QFIPXVFZSA-N 447.874 6.079 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2c2cccc(Cl)c2)o1 170303596 CKGVKNKPKJSPRL-JOCHJYFZSA-N 449.890 5.349 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccc(C)o2)c1 170304749 FUNRGOFIPYWONA-QHCPKHFHSA-N 447.487 5.005 30 10 IKEE CCCCCCCCc1ccc(OCc2ccc(-c3ccc(C[C@@H](C)CC)cc3)cc2)cc1 196813343 YMRGDLJQLOAVLE-SANMLTNESA-N 442.687 9.424 30 10 IKEE O=C(Nc1ccc(N=C/C=C/c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1Cl 252627042 RKVOIYPIDGWDSG-VPBYINSUSA-N 429.734 7.315 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2ccc(F)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 526607506 RGYKNHSOSLTUKP-OAQYLSRUSA-N 439.273 6.061 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1/N=C\c1ccc(Br)cc1 526803717 JSARDNSQWCCRFX-QRVIBDJDSA-N 447.377 5.697 30 10 IKEE Cc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1ccccc1OCC(C)C 526804937 ASPJDRRHTNJDDH-YSMPRRRNSA-N 436.625 6.093 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccc(OC)c(OC)c1 526807367 XVIDKSMLEIHECK-QRVIBDJDSA-N 430.961 5.076 30 10 IKEE CCCOc1ccccc1/C=N\n1c(CCC)nnc1SCc1ccc([N+](=O)[O-])cc1 526829210 WTYONEGMJDGPKY-HAHDFKILSA-N 439.541 5.102 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@@H](NC(=O)c3cccc(Cl)c3)C2)c1 586003760 COCXPHUAJGCRDN-JOCHJYFZSA-N 439.987 5.212 30 10 IKEE Cc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(C(F)(F)F)c2)cc1 586119919 PABAMVZFMVVCEH-UHFFFAOYSA-N 444.478 5.277 30 10 IKEE COc1cc(F)cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)c1 698455552 DGCJHTZSJMOMDE-GOSISDBHSA-N 435.293 5.603 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1ccccc1C1CC1 698481253 FOACFFWWRYVFSL-HXUWFJFHSA-N 427.342 6.333 30 10 IKEE CCC[C@@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)CC1 698483051 SSXNTBXGVKTVEE-VGSWGCGISA-N 435.406 6.833 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCCC[C@@H]1C(C)(C)C 698498464 TUOJXGQKKFAOKN-XMSQKQJNSA-N 435.406 6.689 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)CC(C)(C)NC(=O)OC(C)(C)C)cc1 698895028 ZCWVCNGIAKOHFX-KRWDZBQOSA-N 433.549 5.022 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@H](C#N)c1ccc(Br)cc1Cl 698965571 LGBYLFUWISWRRL-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE Cc1sc([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)cc1Br 710724300 HMKBAZFZYMBFCL-MRXNPFEDSA-N 427.408 6.344 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@H](C#N)c1cccc(F)c1Br 710808179 DLKWCZOONQSTBB-MRXNPFEDSA-N 439.712 6.248 30 10 IKEE Cc1nc([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)sc1Br 719328369 UBNFFIAQDGKMKU-AWEZNQCLSA-N 428.396 5.739 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CC[C@H]2COCC[C@H]2C1 723661404 FSMHVGWCLLWQEM-CKJXQJPGSA-N 435.362 5.290 30 10 IKEE Cc1ccc(SC(=Nc2cccc([N+](=O)[O-])c2)[C@H](CC(C)C)N2CCOCC2)cc1 1078364799 GMHUXKUWPIMBBP-QFIPXVFZSA-N 427.570 5.472 30 10 IKEE O=C(Oc1ccc(C=Nc2cccc3ccccc23)cc1)c1sc2ccccc2c1Cl 1084042986 MSUNEYOQDYTFRM-UHFFFAOYSA-N 441.939 7.678 30 10 IKEE COc1cc(/C=N\Cc2ccco2)ccc1OC(=O)c1sc2ccccc2c1Cl 1084347310 XJXOFHMCHSKWMC-MSXFZWOLSA-N 425.893 5.995 30 10 IKEE Cc1cc(O)ccc1N/C(=N/CCCN1CCCC[C@H]1C)NCc1ccccc1Cl 1088652496 WORLWYTVCQYKLR-LJQANCHMSA-N 429.008 5.176 30 10 IKEE CCCCCC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C 1565538679 XDVHIXRJLWUKRR-VOAVDKADSA-N 440.624 6.136 30 10 IKEE CCCCCCCCCCCCOC(=O)CCCCONC(=O)OCc1ccccc1 1615216720 HMMVIYFHFPJUTL-UHFFFAOYSA-N 435.605 6.479 30 10 IKEE C=CCN1C(=O)/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)SC1=Nc1ccc(C)cc1 1772725064 QHELXCCGLNXORA-KGXUUABDSA-N 444.516 5.484 30 10 IKEE Cc1ccc(-n2c(C)cc3c2CC(C)(C)CC3=NOC(=O)c2cccc3ccccc23)cc1 1772728741 WQKXNDBCMZGBJA-UHFFFAOYSA-N 436.555 6.781 30 10 IKEE N#CCc1cnc(-c2ccc(OC(F)(F)F)cc2)c(-c2ccc(OC(F)(F)F)cc2)c1 1848361835 MIIBGAUCTIXTBP-UHFFFAOYSA-N 438.327 6.279 30 10 IKEE N#Cc1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2Cl)n(-c2ccccn2)n1 1859406118 HDBNDAJEDWELFG-UHFFFAOYSA-N 434.286 5.365 30 10 IKEE Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)c3cc(C)nc4ccccc34)cc(C)c2c1 1859656973 LWQLDPSDYPJVAW-UHFFFAOYSA-N 446.514 5.326 30 10 IKEE O=C(/C=C/c1ccc(F)c(Br)c1)C(=O)NC1CCCCCCCCCCC1 1860733315 XZPMNRZHDGMGFN-FYWRMAATSA-N 438.381 5.960 30 10 IKEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)c1c(Cl)ccc(Cl)c1Cl 1861142661 ZJHVJAAOJSDVQX-UHFFFAOYSA-N 449.850 6.412 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(OCCC)cc1 1861372602 BJIVVOZVVWARNM-VWLOTQADSA-N 438.612 5.293 30 10 IKEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)c1ccc2nc(CCC)[nH]c2c1 1861456283 FIDNZEUXYNJXMU-UHFFFAOYSA-N 428.621 5.281 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@@H]1c1cccc(OCCC)c1 1862398928 ZCBRBAPBFRIUGG-DEOSSOPVSA-N 433.548 5.582 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)cc1 1862401873 LSFXUQDUJZVKNR-VEDVITAVSA-N 447.575 5.723 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(N(CC)CC)cc1 1862482313 MMODNYYZYOHWNC-VWLOTQADSA-N 448.607 6.000 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC(C)C)cc1 1862483076 UYHFSNUVYUHGRE-XMMPIXPASA-N 435.564 5.798 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2c(Cl)cccc2Cl)c1 1862498299 FJAQQYSGEDBUNB-HXUWFJFHSA-N 432.347 5.845 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(F)cc2)ccc1F 1862502284 VZQJRBQTTVUIGX-JOCHJYFZSA-N 425.475 5.574 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1cc(Cl)cc(Cl)c1 1862564493 BPFJKJDHZMJXCM-LJQANCHMSA-N 433.335 5.200 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862595173 JVOVJNNPDLEEBA-XMMPIXPASA-N 427.500 5.294 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCC2=CCCCC2)c1 1862660082 HKIMJDPXPMICKR-AREMUKBSSA-N 443.587 6.587 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 1862665173 AISCJURMEXSGRV-QFIPXVFZSA-N 434.492 5.239 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1F 1862676048 YYEHHWUYLVBWRI-PEBXRYMYSA-N 437.417 5.443 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1c(F)cccc1Cl 1862718960 GGQHJXNRBYTLRR-QFIPXVFZSA-N 437.898 6.011 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc2cc[nH]c2c1 1862758172 YCRKDCUQCHKEBN-QFIPXVFZSA-N 447.491 5.235 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(F)c(C)c3)C2=O)c1 1863469272 BLUBEIVZUYQGGO-UHFFFAOYSA-N 439.490 5.015 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccc(OC)cc2)=C(c2ccc(F)cc2)C1=O 1863507927 MGZXEDFPHJCIHV-UHFFFAOYSA-N 438.543 5.065 30 10 IKEE CCCCCCCCN1C(=O)C(NCCc2ccc(C)cc2)=C(c2cc(C)ccc2C)C1=O 1863741072 HWXRJVVOGHBNQD-UHFFFAOYSA-N 446.635 5.885 30 10 IKEE CN(CC(C)(C)c1ccccc1)c1cc(Nc2ccccc2C#N)nc(Cc2ccccc2)n1 1868216340 ZUWLVAAEAMWLCR-UHFFFAOYSA-N 447.586 6.097 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N(C)Cc2ccccc2)nn1-c1ccc(C)cc1 1870014083 SHQAUJKDSKCNML-UHFFFAOYSA-N 433.600 5.901 30 10 IKEE CCCCCCCCn1cc(OCCCCCC)c(=O)cc1CSc1ncccn1 1870186699 OYSJBZTWSIPVKJ-UHFFFAOYSA-N 431.646 6.250 30 10 IKEE C#CCOc1cn(CCC2=CCCCC2)c(CSCc2nc3ccccc3[nH]2)cc1=O 1870302415 PQBUKYDXZPBEBT-UHFFFAOYSA-N 433.577 5.061 30 10 IKEE C=CCn1cc(OCCCCOc2cccc(C)c2)c(=O)cc1CN(CCC)CCCC 1870315786 TZCUNEZZAPZRCE-UHFFFAOYSA-N 440.628 5.593 30 10 IKEE CCCCCCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(OCC)cc1)C3=O 1871349664 WKQDLRBFBFYRLU-UQQQWYQISA-N 449.591 6.522 30 10 IKEE Cc1cc(OC(=O)Cc2cccc3ccccc23)cc2c1C(=O)/C(=C/c1cccs1)O2 1871376538 PRFAQEZQWNZMEJ-HAHDFKILSA-N 426.493 5.974 30 10 IKEE O=C(O)/C=C/c1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871382613 YZLBNBOYGOSWJU-ONFJSNPYSA-N 446.842 5.273 30 10 IKEE Cc1cc(O)c(CN2CCc3ccccc3C2)c2c1C(=O)/C(=C/c1ccc(Cl)cc1)O2 1871394644 JAAPEFQBGNMBRT-QRVIBDJDSA-N 431.919 5.529 30 10 IKEE CCCCN(CC)Cc1c(O)ccc2c1O/C(=C\c1cn(CC)c3ccc(OC)cc13)C2=O 1871395729 GTHYOGXTMXBNMH-QFEZKATASA-N 448.563 5.614 30 10 IKEE CCCCOC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(Br)cc1)C2=O 1871400019 BGEIFRSGURRZGT-UNOMPAQXSA-N 445.309 5.096 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccccc4Cl)c3C)C2=O)o1 1871407292 VHHOOIRTSDINLS-RANIVTSPSA-N 437.879 5.572 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccc(C)cc4C)cc(C)c3C2=O)cc1 1871413432 GSEXPFISJYTUOS-PUDRWSQFSA-N 441.527 5.942 30 10 IKEE Cc1c(OCC(=O)OCC(C)C)ccc2c1O/C(=C\c1ccc(Cl)cc1Cl)C2=O 1871427939 ZXETXNFVKJLXGV-UWVJOHFNSA-N 435.303 5.496 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)Nc2ccc(C#N)cc2)cc2c1C(=O)/C(=C/c1ccccc1F)O2 1871436007 JLSSAFPWKGEQBU-GGNAWJQTSA-N 442.446 5.028 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(Cl)cc4F)cc(C)c3C2=O)o1 1871440340 JXTCVRCFPUKFRM-UKWGHVSLSA-N 441.842 5.323 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccccc1Cl)C2=O 1871440498 SBTQOQDQXNLAED-UUYOSTAYSA-N 447.918 5.899 30 10 IKEE C=CCN(CC=C)c1nc(=NCCCCC)nc(Nc2ccc(Nc3ccccc3)cc2)[nH]1 1871606861 XEYOVLZLXBFUFU-UHFFFAOYSA-N 443.599 5.561 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1)S(=O)(=O)c1ccc(C)c(C)c1 1871767792 HSQCOHNQBDCKPL-RUZDIDTESA-N 448.588 5.169 30 10 IKEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1cc(C)ccc1C 1871834259 ACTGBLQBZGJJBI-QHCPKHFHSA-N 442.625 5.411 30 10 IKEE C=CCN([C@@H](CC)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1 1871839206 DVLJONIPOVLSJG-NRFANRHFSA-N 434.989 5.057 30 10 IKEE C=CCN([C@@H](CC(C)C)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(C)c(C)c1 1872504800 NEAAWPYGUJSCJY-DEOSSOPVSA-N 442.625 5.150 30 10 IKEE N#C[C@@H](C(=O)Cc1c[nH]c2ccccc12)c1nc(-c2cccc(Br)c2)cs1 1872764026 CFPDPKLVTJRHHU-KRWDZBQOSA-N 436.334 5.473 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(Oc4ccccc4)c3)n2)cc1C 1872764931 BNAUFHTXIUWPSX-JOCHJYFZSA-N 440.524 6.410 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)c3ccnc(Cl)c3)n2)cc1C(C)C 1872779556 MFXRVPZRQHVIGK-QGZVFWFLSA-N 425.941 5.789 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)c2ccc(-n3cccc3)cc2)n1 1872785234 IXYOXKWOMJTWTQ-HSZRJFAPSA-N 439.584 6.697 30 10 IKEE CCCCC1CCC(C(=O)[C@@H](C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)CC1 1872785868 BCFBJNYHUDSPDD-FAFZWHIHSA-N 445.028 6.953 30 10 IKEE Cc1cc2oc(=O)c(CC(=O)Nc3ccc(C#N)cc3)c(C)c2c2occ(C(C)(C)C)c12 1873864527 NIDPOBCVJZMABS-UHFFFAOYSA-N 428.488 5.506 30 10 IKEE CCCCCCCCCCNC(=O)CCc1c(C)c2cc3c(C)coc3cc2oc1=O 1873935086 HLIVAIVFPWUUFY-UHFFFAOYSA-N 425.569 6.346 30 10 IKEE CSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(F)cc1F 1874203913 XVXUQOHKVUZQMX-GZIVZEMBSA-N 429.279 5.046 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccccc2)cc1 1874427232 XWELMPGPCQKPDR-BUVRLJJBSA-N 429.505 5.336 30 10 IKEE COc1cccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2[C@H]2CCCO2)c1 1874450028 RQDZUURWCZSUHE-VUEBRRCKSA-N 444.560 5.466 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(C2CCCC2)n1/N=C/c1cccs1 1874452146 GITXYQUQBNSUMT-OEAKJJBVSA-N 439.610 5.173 30 10 IKEE CCCOc1cccc(/C=N/n2c(CCC)nnc2SCc2cccc3ccccc23)c1 1874508408 BQBWNFXVFIRFBZ-OVVQPSECSA-N 444.604 6.347 30 10 IKEE Sc1nnc(C2CCCC2)n1/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1874559905 WJIVZNLGRYVLFB-WYMPLXKRSA-N 447.391 5.992 30 10 IKEE Cc1ccc(COc2ccc(Br)cc2/C=C/C(=O)c2ccc(Cl)cc2)cc1 1874577410 MMNKRNBAENTANS-XYOKQWHBSA-N 441.752 6.886 30 10 IKEE CCN(CC)C(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(C(C)(C)C)cc1 1874582008 RJYTWQGERSPIPL-ISLYRVAYSA-N 443.587 6.281 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C)c(C)c2)c1OCC(=O)Nc1ccccc1F 1874587872 IVYGUCSKKYRYKL-BUHFOSPRSA-N 433.479 5.365 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)cc1 1874613966 WRVFZVXLTMVUDO-LZYBPNLTSA-N 429.516 5.616 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C 1874614546 RALCIIIDLLOMGZ-ZRDIBKRKSA-N 449.934 5.879 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OCc1cccc2ccccc12 1874615784 AAWFXYGFKYJEHT-NTCAYCPXSA-N 442.942 7.285 30 10 IKEE COc1cc(C(=O)/C=C/c2cccc(OC(=O)Cc3cccs3)c2)c(OC)cc1Cl 1874711688 HLDBTASRGLYHBG-CMDGGOBGSA-N 442.920 5.463 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc(N(C)C)cc3)c2)cc1C 1874717904 OKXNKCSFRXOKPM-NTEUORMPSA-N 429.516 5.493 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4ccccc4c3)cc2)cc1 1875094915 PGJHCLMVCBCOSD-CAOOACKPSA-N 436.463 5.880 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1ccccc1OC 1875098842 LKDJGMJUUVJILB-RVDMUPIBSA-N 442.511 5.698 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3cccc(OC)c3)cc2)cc1 1875106469 AGFLKKROCOXFNF-QGOAFFKASA-N 444.527 5.918 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)cc3)cc2[N+](=O)[O-])c1 1875114395 RRAZSFQBBQNETI-NTUHNPAUSA-N 447.443 5.117 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@@H]2CCCO2)c(Br)c1)c1ccc(Cl)cc1 1875126084 PAFIMUPCGPGUDL-VZJZHNIPSA-N 435.701 5.083 30 10 IKEE O=C(CCCOc1ccc2ccccc2c1)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1 1875127401 CFQCGPSVJAAJIZ-XMHGGMMESA-N 436.507 6.501 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)C(c3ccccc3)c3ccccc3)cc2)c(C)c1 1875131293 PVRSUVHIYRYZFU-CAPFRKAQSA-N 446.546 6.937 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)cc1 1875143698 MOQDUNBQEIESDO-ONAORTGXSA-N 446.930 6.262 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1 1875155509 GYJSPNFMHSHQJF-QLKAYGNNSA-N 439.338 7.232 30 10 IKEE Cc1cc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2)cc(C)c1Cl 1875157875 SMBZLPYBQHDNAW-LFYBBSHMSA-N 438.882 5.976 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc(OC)c1OC(=O)C1CC1 1875160356 LWFNCIMLNALOJI-UKTHLTGXSA-N 448.559 5.941 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)cc2)c1 1875168678 PHIYZGFSCRGNCM-SDNWHVSQSA-N 426.556 6.581 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3cc(C)c(Cl)c(C)c3)cc2)cc1C 1875175960 PLYGJPBFDYLSNN-XYOKQWHBSA-N 448.946 6.454 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OC)cc3)cc2)c(OCC)c1 1875177721 IPGRCAADVASKHE-CAOOACKPSA-N 446.499 5.608 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)ccc1OC(=O)C(F)(F)F 1875188172 PPDPVBMZOFBLMN-HWKANZROSA-N 449.208 5.374 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1cc(Br)c(Br)s1 1922068748 KXKXLJFHDZCSAS-MRXNPFEDSA-N 445.220 5.697 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 1943912691 PAESFOTUNCFPCT-WZONZLPQSA-N 433.524 5.297 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1945530087 ZAXJINFNUXBOQM-MNEFBYGVSA-N 449.979 5.619 30 10 IKEE C#CCCCC[C@@H]1C[C@@H](C(=O)O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21 1952392964 CAFVYSMEFWTHCK-VQTJNVASSA-N 431.532 5.294 30 10 IKEE C[Si](C)(C)C#CC[C@@H](N)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2016690603 IXCNQJZSGHOFMZ-RUZDIDTESA-N 429.636 6.115 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(C)s2)ccc1C 2033814117 YZVBELXGQRDQHF-HXUWFJFHSA-N 439.558 5.214 30 10 IKEE CC(C)CN(Cc1ccccc1)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1C(F)(F)F 2052615627 FNTCPBBUMUJXLN-UHFFFAOYSA-N 434.311 5.062 30 10 IKEE CCN[C@@]1(C#N)C[C@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)CC(C)(C)C1 2063662404 VDWIZPVSMDCBNX-IAPPQJPRSA-N 432.656 5.071 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)[C@H]1C1CC1 2067982001 ZBSDMGSVGSJPFS-DVECYGJZSA-N 445.535 5.249 30 10 IKEE CCCCCCCCCCCCCCCCCCCCc1ccc(Br)cc1 2069590237 QGEUPFAFGZDHIQ-UHFFFAOYSA-N 437.550 10.033 30 10 IKEE Cc1nn([C@H](c2ccc(C(F)(F)F)cc2F)C(C)(C)C)c(Br)c1C=NO 2079880725 QESLWPCMZXPTCR-CQSZACIVSA-N 436.247 5.556 30 10 IKEE Cc1ccc([C@@H](n2nc(C3CC3)c(C=NO)c2Br)C(C)(C)C)c(F)c1F 2079903829 KXBDIBMIPQZZSX-QGZVFWFLSA-N 426.305 5.553 30 10 IKEE CC1(c2nn([C@H](c3ccc(C4CCC4)cc3)C(C)(C)C)c(Br)c2C#N)CC1 2079956279 JARKKMNFGLQXIE-HXUWFJFHSA-N 426.402 6.472 30 10 IKEE ON=Cc1c(C(F)(F)F)nn([C@H](c2ccc(C(F)(F)F)cc2F)C2CC2)c1Cl 2079970839 YBKIDUSVRVFRHD-LBPRGKRZSA-N 429.723 5.521 30 10 IKEE C=CCC[C@H](C)[C@H](NCCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2102111045 KDLGOPQKDXJMJN-KXBFYZLASA-N 425.411 6.439 30 10 IKEE CCC[C@@]1(Nc2ccc(C#N)c(Br)c2F)CCCN(C(=O)OC(C)(C)C)C1 2162303079 IEXLQXWJTBCDHU-HXUWFJFHSA-N 440.357 5.442 30 10 IKEE C[C@@H]1CCCN(c2ccc(C#N)cc2Br)[C@@H]1CCCNC(=O)OC(C)(C)C 2174808311 MNBYXRXZMBVEEK-CRAIPNDOSA-N 436.394 5.231 30 10 IKEE C=CCCCCCCCC(=O)c1cc(I)ccc1Br 2227270609 FYOJCZMFHQJMAJ-UHFFFAOYSA-N 435.143 6.153 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCCC)c2cc(Cl)c(Cl)c(Cl)c2)C1 2232524022 JJNRTQNBZGFOQT-QGZVFWFLSA-N 433.807 6.301 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C 2235730290 OQOAUBWQIOBOLH-HKUYNNGSSA-N 437.422 5.108 30 10 IKEE C=CCCCCC[C@@H](NC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237417825 ZPIOJWAAOLGKHA-WOJBJXKFSA-N 439.438 5.609 30 10 IKEE CC(C)(C)OC(=O)NC[C@]1(C)CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2258857641 RVPVJEFCADSJHZ-DQEYMECFSA-N 449.636 5.924 30 10 IKEE C=CCCC1([C@H](O)c2cc(C)cc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2266307181 FHRXHAKAGRBGCR-QGZVFWFLSA-N 428.342 5.133 30 10 IKEE C=CC[C@]1(COc2cc(Br)ccc2N)CCCN(C(=O)OC(C)(C)C)C1 2272237856 FFHKZYLOVHJDNJ-FQEVSTJZSA-N 425.367 5.004 30 10 IKEE C=CCN(C[C@H](NCCC)c1cc(Br)cc(C(C)C)c1)C(=O)OC(C)(C)C 2280717609 IZFGAQAJRONNOP-FQEVSTJZSA-N 439.438 6.036 30 10 IKEE CCOc1c(C=C2SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)cccc1OC 2293740351 NDDNXPBVFUQIJI-UHFFFAOYSA-N 444.556 5.898 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)C[C@H](NC(=O)OC(C)(C)C)C(C)C 2296309672 YYIJFEZQHKHPHZ-UXHICEINSA-N 437.422 5.108 30 10 IKEE O=C1SC(SCc2ccc(Cl)cc2)=NC1=Cc1ccc(Br)s1 2297366863 ARMSUFPHTTUFLW-UHFFFAOYSA-N 430.801 6.068 30 10 IKEE C=CCOc1ccc(C=C2SC(=S)N(Cc3ccc(OC)cc3)C2=O)cc1Cl 2297534714 NSSARRRWPUYSFS-UHFFFAOYSA-N 431.966 5.315 30 10 IKEE COc1ccc(-c2cc(-c3ccccc3)nc(NN=Cc3ccccc3Cl)n2)cc1OC 2297707857 SJJYZRSVTRTQME-UHFFFAOYSA-N 444.922 5.927 30 10 IKEE C=CC[C@H](Oc1cc(Cl)c(Br)cc1N)[C@H]1CCN1C(=O)OC(C)(C)C 2314301463 SEVIDEOUQWJQJE-CABCVRRESA-N 431.758 5.018 30 10 IKEE N#Cc1cccc(Br)c1Oc1cc(Br)cc(Br)c1 2316725251 OUXFXPOZUKLTCU-UHFFFAOYSA-N 431.909 5.638 30 10 IKEE N#Cc1nc([C@H]2C[C@@H]2c2ccccc2)oc1NN=Cc1cccc(OCc2ccccc2)c1 2320837374 URGMFKKQCBMGLP-RPWUZVMVSA-N 434.499 5.842 30 10 IKEE COc1cccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CC2)c1O 2320873903 OACDYDUYKDWXBR-UHFFFAOYSA-N 430.533 5.197 30 10 IKEE Clc1ccc(COc2ccccc2C=Nn2cnnc2SCCc2ccccc2)cc1 2321295783 YIWQVOKSUMPVAM-UHFFFAOYSA-N 448.979 5.728 30 10 IKEE COc1ccc(CCN2COc3c(cc4c(c3C)OC(=Cc3cccs3)C4=O)C2)cc1 2322288892 RTMNAMALWAJCFD-UHFFFAOYSA-N 433.529 5.076 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(N(C)C)cc1)C3=O)CN(C1CCCCCCC1)CO2 2322415725 IOKFLRNSDJIFSN-UHFFFAOYSA-N 446.591 5.942 30 10 IKEE CCCOc1c(C=CC(=O)c2cccc3ccccc23)cc(Br)cc1OC 2322724801 LEZPPJTVXBFSNQ-UHFFFAOYSA-N 425.322 6.296 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCc2c(Cl)cccc2Cl)cc1Cl 2322974809 FHKAENGPLWDCEM-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1OCC(=O)NC1CCCCC1 2323118372 KBCNDLAJNVZYFQ-UHFFFAOYSA-N 427.928 5.072 30 10 IKEE Cc1cc(OC(=O)c2ccc(Cl)c(Cl)c2)cc2c1C(=O)C(=Cc1cccs1)O2 2323259324 NYQHLHLHSQPOFZ-UHFFFAOYSA-N 431.296 6.199 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc(Cl)c2)c(Cl)c1)c1ccc2ccccc2c1 2323396288 RZCTVFZJTZXKEQ-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE CSc1nnc(Cc2ccccc2)n1N=Cc1ccc(OCc2ccccc2)c(Cl)c1 2323582900 YNTSANBDYKJJIO-UHFFFAOYSA-N 448.979 5.705 30 10 IKEE CCOc1c(Cl)cc(C=NNc2nc(-c3c(C)cc(C)cc3C)cs2)cc1Cl 2323858581 OOKQRDJLAYFUQQ-UHFFFAOYSA-N 434.392 6.887 30 10 IKEE C=C(C)COc1c(OCC)cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 2323889601 IWRJDWBWADRFCR-UHFFFAOYSA-N 436.291 6.151 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCc3ccc(C)cc3)c([N+](=O)[O-])c2)cc1 2323933615 UOQUQPBCRGCZTI-UHFFFAOYSA-N 431.488 6.167 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OCc1c(Cl)cccc1Cl 2323960084 JBOIPKDQVROGFY-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(OC)c1OCc1cccc(Cl)c1 2323968962 BOWQLTONQAMBEB-UHFFFAOYSA-N 440.898 6.280 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OCc1ccc(Cl)cc1 2324140948 OQJDBKHZIHLMHJ-UHFFFAOYSA-N 442.942 7.367 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2cc(Cl)c(OCCO)c(OC)c2)cc1 2324197364 XCRXHTKEIINUPY-UHFFFAOYSA-N 446.971 5.965 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)ccc1OCc1ccccc1 2324605330 JRNRKKQILGGWSY-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2OC)ccc1OCc1ccc(F)cc1 2324709211 MQIIYPHCEARWDX-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE Cc1c(OCc2ccc(C#N)cc2)ccc2c1OC(=Cc1cccc(Br)c1)C2=O 2324760635 IQELKGIRBPBKTC-UHFFFAOYSA-N 446.300 5.824 30 10 IKEE Cc1cc(C)c(COc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2Cl)C3=O)cc1C 2324762482 IAOXJJLDIMNHFD-UHFFFAOYSA-N 439.338 7.114 30 10 IKEE CCc1ccc(CCC(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c(C)c3)c2)cc1 2325715216 QCSGGMROOVOJJX-UHFFFAOYSA-N 428.528 6.000 30 10 IKEE CCc1cccc(CC)c1NC(=O)COc1ccc2c(c1)OC(=Cc1ccc(C)o1)C2=O 2325718587 FAAOFEYSXVFYPJ-UHFFFAOYSA-N 431.488 5.347 30 10 IKEE COc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)c1ccc(C)c(C)c1 2325721480 KAOKXJXUPMCRBS-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)[C@H]3CCCO3)c2)cc1OCCC 2325726942 UEVIFMIMDNWFSP-XMMPIXPASA-N 438.520 5.245 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccccc3C)c2)cc1 2325738902 OTVVEWROPJKLSD-UHFFFAOYSA-N 430.500 5.908 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2cccc(C=CC(=O)c3cccc4ccccc34)c2)cc1 2325749965 BLJZQFBFULIFCH-UHFFFAOYSA-N 436.463 5.880 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC(=O)c1ccccc1 2325753764 HRPKDPHWZKFZHO-UHFFFAOYSA-N 444.527 6.251 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1ccccc1C 2325909133 VSESFRPEEAHLRC-UHFFFAOYSA-N 447.391 6.023 30 10 IKEE CCOc1cc(C=Nn2c(CC)nnc2SCc2cccc(C)c2)cc(Cl)c1OC 2326379821 DMQHZKVFZYJSKR-UHFFFAOYSA-N 444.988 5.384 30 10 IKEE CCCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc(O)c(O)c1 2326619665 ORGKOSPRIAAQJF-UHFFFAOYSA-N 432.549 5.012 30 10 IKEE Clc1ccccc1OCc1nnc(SCCc2ccccc2)n1N=Cc1ccccn1 2327658632 MOSZPJAUUFKFIV-UHFFFAOYSA-N 449.967 5.123 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2N=Cc2ccc(OC)c(O)c2)CC1 2328187088 QYCIUHAKFCTEDM-UHFFFAOYSA-N 430.618 5.841 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2)n1N=Cc1ccc(Cl)c(Cl)c1 2328754278 SFXOGHGDPAEDBM-UHFFFAOYSA-N 449.407 5.981 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2ccccc2Cl)cc1C 2329423933 GUSQCHBFHLWOSS-UHFFFAOYSA-N 447.007 6.314 30 10 IKEE C=C(C)CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1cccc(OC)c1OCC 2330104875 HUEZAYLQRQOZLZ-GOSISDBHSA-N 436.581 5.388 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@@H](C)c3ccccc3)n2N=Cc2cccc(O)c2)c1 2330110319 KTBZTWWETXHJQG-FQEVSTJZSA-N 442.588 5.927 30 10 IKEE CCCSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1ccc(OCC)c(OCC)c1 2330125194 KVPRVIDQBGPZJT-SFHVURJKSA-N 438.597 5.612 30 10 IKEE CCCSc1nnc(Cc2cccs2)n1N=Cc1cccc(OCc2ccccc2)c1 2330416575 JGRFYICECBZLDY-UHFFFAOYSA-N 448.617 5.894 30 10 IKEE C=C(C)CSc1nnc(Cc2ccccc2)n1N=Cc1ccc(OCC)c(OCC)c1 2330491529 YWYNAMXNWOFZRB-UHFFFAOYSA-N 436.581 5.217 30 10 IKEE Cc1ccc(CSc2nnc(-c3cccs3)n2N=Cc2ccc3c(c2)OCCO3)cc1 2330530595 FHSWVWVWGPILAM-UHFFFAOYSA-N 448.573 5.261 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(Cl)c1OC(=O)c1ccncc1 2330649037 DJBCADTYTPWPKJ-UHFFFAOYSA-N 443.886 6.012 30 10 IKEE CN(C)c1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccc(Cl)cc2)cc1 2330867250 GFAWVKCPUAQMMN-UHFFFAOYSA-N 442.032 5.761 30 10 IKEE Oc1ccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2[C@H]2CCCO2)cc1 2330975679 NYVUARJIBBTOQM-GOSISDBHSA-N 449.363 5.317 30 10 IKEE Cc1ccc(C=Nn2c(SCc3nc(O)c4ccccc4n3)nnc2C2CCCC2)cc1 2331085520 WPHZYFKONMAFLD-UHFFFAOYSA-N 444.564 5.067 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccc2c(c1)OCO2 2331136369 OTRILUMXYNULPF-UHFFFAOYSA-N 436.847 5.193 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(F)(F)F)n2N=Cc2ccc(C(C)(C)C)cc2)c1 2331138282 BZZXUHZBAADFGN-UHFFFAOYSA-N 446.542 6.386 30 10 IKEE CCOc1cc(C=Nn2c(SCC)nnc2-c2ccco2)ccc1OCc1ccccc1 2331197292 WBQCDOZEDOPWMC-UHFFFAOYSA-N 448.548 5.510 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3F)c(OCC)c2)cc1 2331208360 XIPHPMPNZRAFRP-UHFFFAOYSA-N 434.463 5.738 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)c1ccc(C)c(C)c1 2331218473 HEAGAMGLILFBMO-UHFFFAOYSA-N 444.527 6.053 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)c1ccccc1 2331232423 INDRQMADOFXQKJ-UHFFFAOYSA-N 426.512 6.156 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)COc1ccc(OC)cc1 2331282237 UQALVLXGERUYHZ-UHFFFAOYSA-N 446.499 5.283 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)CC(C)(C)C 2331324425 YBQYFVHCJSGDLZ-UHFFFAOYSA-N 428.956 6.593 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccc(CC)cc2)n1N=Cc1ccc(C)cc1 2331326441 GAEQUVHGUUQACE-UHFFFAOYSA-N 435.597 5.105 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2cc(C)ccc2OC)cc1[N+](=O)[O-] 2331362412 HGSZLXGJNPRQOB-UHFFFAOYSA-N 425.481 5.684 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc(C)cc(C)c3)c([N+](=O)[O-])c2)cc1F 2331457800 JTLBBDUHYJGICB-UHFFFAOYSA-N 449.434 5.475 30 10 IKEE CCc1ccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C2CCC2)cc1 2331534375 XAJDCKMBKQMPKX-UHFFFAOYSA-N 445.419 6.589 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)cc(Br)c1OC(=O)C1CC1 2331537682 IWYIPOKXSBYAEH-UHFFFAOYSA-N 433.273 5.198 30 10 IKEE COc1cccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C(C)C)c1OC 2331715331 NZCMQBNBPPFSTQ-UHFFFAOYSA-N 448.951 5.386 30 10 IKEE Cc1cc(NC(=O)OC(C)(C)C)cc(C)c1Oc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2341197974 MFKHZFZPZUYMKH-UHFFFAOYSA-N 440.349 5.137 30 10 IKEE C=CCCCCCCCOc1cc(NC(=O)OC(C)(C)C)c(C)cc1Br 2344289923 DXTBKCUFCIAMHX-UHFFFAOYSA-N 426.395 7.010 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCC[C@]23C[C@H](CO2)[C@@H]31 2354174025 YELXVXBRTUWLFQ-DETPAEQWSA-N 433.346 5.042 30 10 IKEE CN[C@H](C#CC1(OC)CCCC1)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2363520122 VCKUFTSWXLFHHV-QGZVFWFLSA-N 437.378 5.019 30 10 IKEE CC(C)[C@H]1CN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN1Cc1ccccc1 2365109735 GLOZNMUBEOAQMG-DKUDOZJNSA-N 447.432 5.073 30 10 IKEE Cc1cc(CN(C)[C@H]2CC(C)(C)[C@H]2OCc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2369722886 CGXRGGLJGXJRPX-DQEYMECFSA-N 449.444 5.110 30 10 IKEE Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@@H]3c2ccc(Cl)cc2)cc1 19630861 NSFXZRIULSZWTK-NIYFSFCBSA-N 439.946 6.414 30 10 IKEE O=C1C[C@H](c2ccccc2Cl)CC2=C1[C@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1N2 20886164 MQBBRXKIZNUAOY-CPJLOUKISA-N 445.906 6.228 30 10 IKEE CC(C)COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cc(F)ccc2F)cc1 21226550 KHLNXTOQWWVGER-OXQOHEQNSA-N 425.475 5.004 30 10 IKEE CC(C)COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2c(F)cccc2Cl)cc1 21244027 WXGKSPXZNRRISV-WMZOPIPTSA-N 441.930 5.518 30 10 IKEE CCn1nc(C)c(CN/C(=N/C(=O)c2ccc(C(C)(C)C)cc2)Nc2ccccc2F)c1C 32971649 QJBXAUNYBRJURX-UHFFFAOYSA-N 449.574 5.355 30 10 IKEE COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 33368844 VQMJAXVOTIMBHC-NHDPSOOVSA-N 441.266 5.837 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@@H]2/C=C\c1ccccc1 33780139 MEBYLSQVZSCHEG-FFFOYBKKSA-N 448.566 6.484 30 10 IKEE C=CCc1ccccc1OCCn1c(CNC(=O)/C=C\c2ccccc2)nc2ccccc21 40192161 UIRMCFRXOPFELK-ZCXUNETKSA-N 437.543 5.173 30 10 IKEE O=[N+]([O-])c1ccc(O)c(/C=N/c2cc(C(F)(F)F)ccc2Oc2ccc(Cl)cc2)c1 59462050 PEPSJVLIQQYGJL-OPEKNORGSA-N 436.773 6.516 30 10 IKEE O=C(NCC#CCOc1cccc(Br)c1)c1ccccc1Oc1ccccc1 90731099 ZCRYFAGHWGYCKD-UHFFFAOYSA-N 436.305 5.054 30 10 IKEE CCCCCCCNC(=S)NC(=O)c1ccc(OCC(C)C)c(Br)c1 100193160 CGRNQRKLQZPRGH-UHFFFAOYSA-N 429.424 5.059 30 10 IKEE CCCCCCCCCCCn1c([C@@H](C)NC(=O)Cc2ccccc2C)nc2ccccc21 102132882 SVYUGXKPYKHQIQ-XMMPIXPASA-N 447.667 7.295 30 10 IKEE CCCCCCCc1ccc(-c2c(C#N)c(/C=C\N(C)C)nc3c2C(=O)c2ccccc2-3)cc1 102663164 RKKPDGNHCPTFHE-HNENSFHCSA-N 449.598 6.877 30 10 IKEE COc1cc(/C=N/Nc2nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)n2)ccc1O 104125335 FPPIIWYNXSKSHB-CVKSISIWSA-N 430.895 5.624 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2ccc(OC)cc2)cc1 169923270 OTCUTZGXVPSTFD-VWLOTQADSA-N 441.527 5.657 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2cccc(OC)c2)c1 169930112 NWIOCAKANVWHKV-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccc(C)cc2)c1 169934641 QSOHOPSZGQCEDC-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc(C)c(C)c2)=C(O)C(=O)N1c1ccccc1C 169946100 NOGXENRJABSOHI-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2cccc(C)c2)cc1 169971616 JBNIPELAAIINFH-QHCPKHFHSA-N 433.454 5.619 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(C)c(C)c2)[C@@H]1c1cccs1 169982508 FFSGASVTNWKRRL-QFIPXVFZSA-N 433.529 5.152 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@H]2c2cccs2)cc1C 169986542 CWVSULWGOMQQEZ-NRFANRHFSA-N 437.948 6.110 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@H]1c1ccccc1)c1ccc(Cl)cc1 170050465 ADEAWIKUFNXDTQ-FQEVSTJZSA-N 442.273 5.915 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2c[nH]c3ccccc23)s1 170078507 VLVOPCGGMXTIDT-HXUWFJFHSA-N 435.549 5.152 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2Cc2ccco2)c1 170118955 BQHCVKVJSHNMIC-DEOSSOPVSA-N 439.467 5.220 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2cccs2)c1 170153782 RDZPGAYXVFBWMK-JOCHJYFZSA-N 449.528 5.327 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cccs1)c1ccc(Br)cc1 170163839 KQXTUOARWUHXMB-SFHVURJKSA-N 446.366 5.422 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccnc2)cc1C(C)C 170188011 PNZZSMRIFGIOFV-XMMPIXPASA-N 442.515 5.387 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1cccc2ccccc12 170221234 MCWCUOZKTRZNPB-QHCPKHFHSA-N 441.483 5.583 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2)ccc1OCC(C)C 170234056 KTZCEEQVGXJGDS-DEOSSOPVSA-N 433.548 5.551 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1cccc(O)c1)c1cccc2ccccc12 170257820 DXATZIFFSBNRQM-DEOSSOPVSA-N 439.442 5.467 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccccc2C)cc1C 170271911 MJJYCANQKURMFI-XMMPIXPASA-N 443.499 5.191 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)cc4)[C@@H]3c3ccc(C)o3)oc12 170299833 KBTKTTKYEFYRJK-OAQYLSRUSA-N 447.418 5.265 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1c1cccc(F)c1 170313444 IAEGHIMDSWLAFM-FQEVSTJZSA-N 432.476 5.460 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1Cc1ccco1 170316286 MDPGJQWAFGKCOM-NRFANRHFSA-N 433.529 5.307 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2c[nH]c3ccccc23)cc1 170383572 AWAJCFXSZQRRAP-HSZRJFAPSA-N 426.472 5.667 30 10 IKEE O=C(/C=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(NC(=O)c2cccs2)cc1 210043789 DNLMJFXDDZBERV-BENRWUELSA-N 444.468 6.065 30 10 IKEE CCOc1ccc2c(c1)O/C(=C/c1ccc(OC(=O)c3ccc(F)cc3)c(OC)c1)C2=O 210091222 JSKDDMBEYSHAFO-YDZHTSKRSA-N 434.419 5.068 30 10 IKEE Cc1cccc(N2C(=O)C(=O)/C(=C(O)/C=C\c3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)c1 229099713 XXNYPZYFQKYNGI-DWMHWMMUSA-N 440.455 5.086 30 10 IKEE O=C(Oc1ccc(C=Nc2ccccc2I)cc1)c1ccccc1 252637811 XWSBGEZRVXYYSH-UHFFFAOYSA-N 427.241 5.261 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)Cc2ccco2)cc1 586179591 OTEUHLHLCRPTDM-UHFFFAOYSA-N 436.577 5.665 30 10 IKEE C=CCN(c1ccc(N2CCC(C)CC2)cc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586253330 QNYNFJXLIOJCAD-UHFFFAOYSA-N 426.626 5.602 30 10 IKEE C[C@H]1N(C(=O)OC(C)(C)C)CCC[C@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 698346707 BLYAVJIXHRRBLA-HOYKHHGWSA-N 429.561 5.105 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@](C)(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 698378356 VDOASGPMOLWTPA-NTKDMRAZSA-N 429.561 5.105 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)CC1 707365735 UTBQRKNWHCROIR-QHCPKHFHSA-N 449.979 5.765 30 10 IKEE CCCCCCC[C@@H](N)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 708572047 BRXPIUIZFNGLLE-RTBURBONSA-N 427.427 5.573 30 10 IKEE Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2c(C)ccc(O)c2Cl)c1 777511067 MYOXYOFGLACLSL-UHFFFAOYSA-O 436.944 5.145 30 10 IKEE CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]3C[C@H]([C@H](C)[N+](=O)[O-])[C@H]2/C(C)=N/O)C1 1565535008 VOETZVYTDQTIBX-FCKOQDIJSA-N 446.588 5.239 30 10 IKEE CC(C)(C)c1ccc(OCCOc2cccnc2NC(=O)Nc2ccccc2C#N)cc1 1858857517 SXEAHQWLIYYZHH-UHFFFAOYSA-N 430.508 5.353 30 10 IKEE CCCCCCCCCCNc1cc(N2CCC[C@@H](C)C2)nc(-c2ccc(Cl)cc2)n1 1859793018 VQOJYFKZSHOBLU-OAQYLSRUSA-N 443.079 7.586 30 10 IKEE N#Cc1cccc(C(=O)Nc2cc(NC(=O)c3ccc(F)c(F)c3F)ccc2Cl)c1 1860456234 GVBRRVMEIFDVAL-UHFFFAOYSA-N 429.785 5.134 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCC)NC(=O)/C=C/c1ccc(Br)cc1 1861110689 MXXALUAUXQLFPX-MQMQVCBVSA-N 437.422 5.224 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccc(OCC)cc1 1861363340 HIHUXFLRFIISAV-XMMPIXPASA-N 442.575 5.042 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862383412 JXOYPXWZBHXXNY-ZMZPIMSZSA-N 449.290 5.278 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@@H]2c2ccccc2Br)cc1 1862399333 DMEPQYYYBFTTBI-HXUWFJFHSA-N 442.353 5.390 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(C(C)(C)C)cc1 1862449003 ABFCYBDUTCTPHC-QVKFZJNVSA-N 425.956 6.014 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2C2CC2)cc1 1862461313 BYEBBNSYLBPPOO-HXUWFJFHSA-N 429.438 5.142 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(Cl)cc1 1862470110 FYWMYOIYOAKECH-GOSISDBHSA-N 448.744 5.337 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862476929 GOMQCDUFINKUAI-FQRUVTKNSA-N 439.555 6.458 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(N(C)C)cc1 1862493332 NBPAQRIVDMTOBP-DEOSSOPVSA-N 434.580 5.528 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccc(Cl)cc2)ccc1F 1862503312 VHJZTQCSUFXCPW-NRFANRHFSA-N 445.918 5.181 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(Cl)c2)cc1 1862516453 OLFWBEOFCDEWOJ-QFIPXVFZSA-N 439.939 5.650 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862516723 VWAMVYFLSZTQOS-XMMPIXPASA-N 435.564 5.833 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(N(C)C)cc2)cc1 1862533303 IQXWIXQTLQXSTG-VWLOTQADSA-N 440.543 5.094 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 1862534536 TUNRUQYKZMERQS-HSZRJFAPSA-N 448.519 5.458 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc(F)cc2F)cc1 1862535027 WAQYGOLQSGPGFR-XFEAKLGESA-N 439.502 5.684 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 1862535480 CWZBEHYBBKQSIV-HSZRJFAPSA-N 449.909 5.820 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(C(C)C)cc1 1862545941 MDTXMVIJEJYPJY-IQGLISFBSA-N 431.576 6.066 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@H]1c1ccccc1)c1ccc2c(c1)OCCO2 1862605520 WMCJHOCMLNDZTH-DEOSSOPVSA-N 447.531 5.149 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 1862616951 WLBBGHWBPQFVSF-XMMPIXPASA-N 440.543 5.466 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc(F)cc2F)c1 1862701997 REEFINBEJGPTIC-ZFGLAFRWSA-N 441.474 5.130 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C2CCCCC2)cc1 1862713691 UGHWEBWAUHRROX-VWLOTQADSA-N 425.528 6.059 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(C(C)C)cc3)C2=O)c1 1863029670 ULUMMKJLKKVZAZ-UHFFFAOYSA-N 435.527 5.695 30 10 IKEE C=CCNC1=C(c2ccc(OCc3ccccc3)cc2)C(=O)N(CCCCCCCC)C1=O 1863707751 ZCKHMAUSIMHPOY-UHFFFAOYSA-N 446.591 5.482 30 10 IKEE N#Cc1ccc(C(=O)Nc2cccc(Nc3ncnc4ccc(Br)cc34)c2)cc1 1866125127 ANDFNXPTSPOUBE-UHFFFAOYSA-N 444.292 5.260 30 10 IKEE COc1cccc(-c2nc(Nc3ccccc3C#N)cc(N3C[C@H](C)Cc4ccccc43)n2)c1 1868511607 XJGZGQQRHXLUNE-LJQANCHMSA-N 447.542 6.098 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(OC)c(F)c2)c(=O)cc1CSC(C)C 1870242860 QQYGNOWUMXWAOJ-UHFFFAOYSA-N 449.632 6.577 30 10 IKEE CCCCCCCOc1cn(CCCN(CC)CC)c(CN(CC)CCCC)cc1=O 1870411556 FBNALEWMRXWIPT-UHFFFAOYSA-N 435.697 5.551 30 10 IKEE C=CCOc1cn(CCc2ccccc2)c(CNc2ccc(Cl)c(Cl)c2)cc1=O 1870809926 CEHRUSYIEZQTSZ-UHFFFAOYSA-N 429.347 5.575 30 10 IKEE CCCCCCCOc1cn(CCc2ccc(C)cc2)c(CNc2ccccc2C)cc1=O 1870836438 WOOATOVTOULMPH-UHFFFAOYSA-N 446.635 6.669 30 10 IKEE Cc1cccc(CN2COc3ccc4c(c3C2)O/C(=C\c2ccc(N(C)C)cc2)C4=O)c1 1871347935 FTAUOKFCGSZCQX-QFEZKATASA-N 426.516 5.029 30 10 IKEE CCc1ccc([C@@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2cccc(Cl)c2)C4=O)cc1 1871354618 VWWNCISNAMMJSN-YMKHCOABSA-N 445.946 6.432 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OC(=O)/C(Cl)=C/c4ccccc4)c3C)C2=O)c1 1871377427 KRNROUMCNALOSE-NNCOSQCDSA-N 430.887 6.105 30 10 IKEE Cc1cc(OCCCCOc2ccccc2)cc2c1C(=O)/C(=C/c1cccc(Cl)c1)O2 1871403254 HVBHVUDLTQPZNF-JLPGSUDCSA-N 434.919 6.503 30 10 IKEE Cn1cc(/C=C2\Oc3cc(OCCOc4ccccc4F)ccc3C2=O)c2ccccc21 1871417052 KNOLOPIAZCUERF-QFEZKATASA-N 429.447 5.391 30 10 IKEE O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)Oc2cc(OC(c3ccccc3)c3ccccc3)ccc21 1871430452 APMPDGDIULAZOW-ONUIUJJFSA-N 449.462 6.379 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1ccco1)C2=O)Nc1c(Cl)cccc1Cl 1871432050 SGMFLEJECJJCAK-ZDLGFXPLSA-N 430.243 5.220 30 10 IKEE CCCCCCCCCCN=c1nc(N(CC)CC)[nH]c(=Nc2ccccc2C(C)C)[nH]1 1871496821 ZQWVJCJKZVSTHL-UHFFFAOYSA-N 440.680 5.981 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(F)cc1 1872505401 SERCAIAVJRRAEF-QHCPKHFHSA-N 446.588 5.063 30 10 IKEE COc1cc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc(OC)c1OC 1872769796 CCYBIFMXSDEMAK-HKMNZKMDSA-N 434.517 5.034 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(OC)c(OC)c3)n2)cc1 1872770478 VSNZOGDTVYSMAD-KKSMZRNKSA-N 448.544 5.506 30 10 IKEE CC(C)c1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(Br)c3)n2)cc1 1872775598 VCOKEIQJZXILGG-SFHVURJKSA-N 425.351 6.186 30 10 IKEE CCCCCCCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(F)cc3)n2)cc1 1872775820 BGFWXGRKBVYIRS-QFIPXVFZSA-N 436.552 6.788 30 10 IKEE N#C[C@H](C(=O)Cc1ccc(Br)cc1)c1nc(-c2c[nH]c3ccccc23)cs1 1872777102 GSAYMAWPVYGNMG-MRXNPFEDSA-N 436.334 5.473 30 10 IKEE C=CCc1ccccc1OCc1ccc(C(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)cc1 1872859616 ZELYCODZIMEKCA-IBGZPJMESA-N 431.532 5.502 30 10 IKEE CCCCCCCCN1C(=O)C(NC2CCCC2)=C(c2cccc(Br)c2)C1=O 1873052176 UNVGPXGIUOWULS-UHFFFAOYSA-N 447.417 5.422 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1ccccc1O 1874204340 WFHOKRZTRXIFMZ-SSDVNMTOSA-N 437.352 5.254 30 10 IKEE CCCSc1nnc(CCCOc2ccc(OC)cc2)n1/N=C/c1ccccc1Cl 1874221353 HBRDTLSKDQUREK-LFVJCYFKSA-N 444.988 5.336 30 10 IKEE CCCCC1CCC(c2nnc(SCC)n2/N=C/c2ccccc2OCCC)CC1 1874284854 BMOXVMPSZWOTCK-XIEYBQDHSA-N 428.646 6.525 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccncc2)c(C)c1 1874326088 XULMWTMCYZRHDF-MZJWZYIUSA-N 447.539 5.183 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OC)cc2)n1/N=C/c1cccc(OCCC)c1 1874349224 AGGQSUWCBUPUEC-PCLIKHOPSA-N 436.581 5.217 30 10 IKEE COc1ccccc1/C=N/n1c(Cc2ccccc2F)nnc1SCc1ccccc1C 1874373871 WDHRMEPPIDZYRI-JVWAILMASA-N 446.551 5.500 30 10 IKEE Oc1ccccc1/C=N/n1c(Cc2ccc(F)cc2)nnc1SCc1ccc(F)cc1 1874378461 OACIKRUXFWJHNL-VULFUBBASA-N 436.487 5.027 30 10 IKEE Cc1ccc(C)c(CSc2nnc(COc3ccccc3)n2/N=C/c2ccccc2F)c1 1874384341 KRKPLEOXKAUMRL-JFLMPSFJSA-N 446.551 5.788 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCC)cc1OC 1874417341 IKBBPRWUIHQEPQ-XIEYBQDHSA-N 438.597 5.441 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2-c2cccs2)cc1O 1874422099 UUYLYAZQQUIXJV-YDZHTSKRSA-N 436.562 5.204 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc(O)cc1O 1874438868 XMVNNTLRIOHNKR-FSJBWODESA-N 430.961 5.106 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1/N=C/c1ccc(Br)cc1 1874478337 VQZOTTOWRIIYNK-OEAKJJBVSA-N 443.414 5.866 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C(C)(C)C)cc1 1874485443 VRRXRIWDPGOIGJ-MFKUBSTISA-N 443.016 6.192 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)C)n2/N=C/c2cc(Cl)ccc2O)c1 1874490006 VEYCQUGYODHCDQ-WYMPLXKRSA-N 428.989 5.627 30 10 IKEE CCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1/N=C/c1cccc2ccccc12 1874504473 TXKSZHYUVPZOMQ-WGOQTCKBSA-N 443.576 5.305 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccc(CC)cc2)n1/N=C/c1ccc(Cl)cc1 1874504672 YYOISBNOMJYIHI-ZVHZXABRSA-N 441.988 5.059 30 10 IKEE CSc1nnc(C2CC2)n1/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1874515368 YTOMYLUKACOCPG-FOKLQQMPSA-N 433.364 5.645 30 10 IKEE O=C(/C=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)cc1 1874570701 FAISWSGQFFIMRM-KNTRCKAVSA-N 435.479 6.737 30 10 IKEE C=C(C)COc1c(/C=C/C(=O)c2ccc(OCC)cc2)cc(Br)cc1OC 1874577694 ATTHSLKWJKUQOV-DHZHZOJOSA-N 431.326 5.707 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C(C)C)cc2)c1OCC(=O)Nc1ccc(F)cc1 1874583993 QLDUNLCBIUFGSB-LFIBNONCSA-N 447.506 5.871 30 10 IKEE CCN(CC)C(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(OC)c(C)c1C 1874586493 QAXCAJGYJOIUSW-DHZHZOJOSA-N 429.944 5.109 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1C 1874591151 VPDQGRSTXUUWSE-PKNBQFBNSA-N 441.354 7.094 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(Cl)c2)cc1 1874609338 LIWFZIOQTLPPAK-LFYBBSHMSA-N 449.934 5.879 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)c1 1874619171 MSCFQCJFSZTGEZ-MDWZMJQESA-N 445.515 5.234 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 1874623883 AKCDPZMYDRKMLD-WLRTZDKTSA-N 435.907 6.847 30 10 IKEE C=C(C)COc1c(Br)cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OCC 1874627139 FKBMCWXYUOPRIO-VMPITWQZSA-N 437.280 5.977 30 10 IKEE CN(C)c1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)c2)cc1 1874693779 VTOHBFMLHVLFGH-LICLKQGHSA-N 425.528 5.747 30 10 IKEE CC(C)COc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccccc3Cl)c2)cc1 1874696638 JVZGBBPNVHIMHQ-XNTDXEJSSA-N 434.919 6.490 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccccc2[N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 1874702709 GGHVALDKQCXBKX-DHZHZOJOSA-N 442.254 6.017 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(F)cc3)c2)cc1C(C)C 1874710693 HZPHCUYMUYZDBL-JLHYYAGUSA-N 446.518 6.310 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccccc3[N+](=O)[O-])c2)c(C)c1C 1874711467 AGVIRPOHFPKBQD-ACCUITESSA-N 445.471 5.264 30 10 IKEE CCc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3cc(C)c(OC)cc3C)ccc2OC)cc1 1874717619 FXKMIQDIVHUUDU-UKTHLTGXSA-N 444.527 5.998 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)[C@@H]1CCCO1 1875082348 AWXVRMBLVHHKHE-RBZVCHSGSA-N 428.484 5.343 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OC(=O)c1cccs1 1875084864 DQVJXRHPKFLZQP-BQYQJAHWSA-N 443.864 5.434 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)cc3)cc2OCC)cc1 1875112864 LSFAGAQGLBKLMT-OMCISZLKSA-N 446.499 5.608 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)CCCCCC 1875122069 QFJJEPHZPYEBKG-CCEZHUSRSA-N 440.967 6.849 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1cnc(C)cn1 1875132382 QWEVQJFRTWGXHW-XVNBXDOJSA-N 443.286 5.216 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)Cc1ccccc1F 1875133123 GAAJYIZOQHLKQS-JLHYYAGUSA-N 434.463 5.196 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2Cl)cc1OC 1875133518 YMPDTHMRHOKWFE-IZZDOVSWSA-N 436.891 5.781 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc3ccccc23)c([N+](=O)[O-])c1)c1ccc(F)cc1 1875158023 BBPBIHYQNILFRX-RIYZIHGNSA-N 441.414 6.002 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1[N+](=O)[O-] 1875169652 WIZKFBWJIBHQIO-ACCUITESSA-N 437.536 6.600 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)c1ccncc1 1875171070 DVFMKNWYLGOWEO-SOFGYWHQSA-N 431.488 5.221 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)c1cccc(C)c1 1875181588 NOAJXXCRUGRXCA-MDZDMXLPSA-N 448.946 6.698 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)ccc1OC(=O)c1ccco1 1875181850 ZWNSFLHVGDDNOF-VQHVLOKHSA-N 440.879 5.764 30 10 IKEE C=CCn1c(C(=O)N(C)CCCC)cc2c(NCCCCCCCCCC)ncnc21 1875229120 PLTSYHPPIBPEMX-UHFFFAOYSA-N 427.637 6.042 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)N(CCCC)CCCCCC)n2Cc1ccco1 1875231968 MCOPKQACUHSLBY-UHFFFAOYSA-N 437.588 5.493 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)[C@H](C)c3cccc4ccccc34)ccc21 1891069469 ZNDQKZUMURBMHS-GOSISDBHSA-N 428.532 5.520 30 10 IKEE O=C(Cc1cc(F)ccc1C(F)(F)F)N1CC[C@H](Cc2ccc(C(F)(F)F)cc2)C1 1891247611 WTUJLWRQFIANCD-CQSZACIVSA-N 433.367 5.497 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@]12CCCC[C@H]1N(C(=O)OC(C)(C)C)CC2 1922059883 KXBSCOJIBZAUOL-MVERNJQCSA-N 428.617 5.307 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(C)cc(Br)c1F 1926708416 GMZHJSGOSDKSEX-PKOBYXMFSA-N 443.401 5.797 30 10 IKEE CCCCCCCCCC[C@H](NC)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1946523279 KYXWOUALXOSZGS-BJKOFHAPSA-N 434.665 6.215 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)C1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1997637874 JTXANHMCSLEIKF-IRXDYDNUSA-N 449.617 5.270 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)C2(C#N)[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)cc1 2037935583 LUVFPYUSXQPUMG-VXKWHMMOSA-N 433.596 5.787 30 10 IKEE O=C(C=Cc1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1 2040588086 RZVWOBYKWHSBLJ-UHFFFAOYSA-N 433.312 5.657 30 10 IKEE C=CCCCC[C@@H](NCCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2059117545 HESUKZIHGPOJFZ-SHQCIBLASA-N 444.660 5.945 30 10 IKEE C=CC[C@@](C)(NCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(F)F 2071263161 RQTABSQLQWKYDN-HHHXNRCGSA-N 437.530 6.534 30 10 IKEE CC(C)c1nn([C@H](c2ccc(C(F)(F)F)cc2F)C2CC2)c(Br)c1C=NO 2079903593 JNMQXFUBGUIRDW-INIZCTEOSA-N 448.258 5.734 30 10 IKEE CC(C)c1c(C(F)(F)F)nn2c(Cl)cc(-c3cc(F)cc(C(F)(F)F)c3)nc12 2081251651 ZUBFXCXECZZUBB-UHFFFAOYSA-N 425.735 6.350 30 10 IKEE COc1ccc(-c2cc(Cl)n3nc(C4CCCCC4)c(C#N)c3n2)c(Br)c1 2081396026 DCGQMPOGTOAXAF-UHFFFAOYSA-N 445.748 5.740 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCCC(F)(F)CC1 2097429441 KBMCFISDINIILY-SFHVURJKSA-N 429.305 6.052 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(Cc3ccccc3)CC23CCC3)cc1 2098711326 GSGQCNOEOXNQQZ-MUUNZHRXSA-N 445.607 6.075 30 10 IKEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(Cc2cc(Br)ccc2Cl)CC1 2137178426 ZYJBURLCAQABOJ-UHFFFAOYSA-N 426.591 5.256 30 10 IKEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNc2cccc(Br)c2C#N)cc1 2162316408 LQQYWDKHHJDHHK-CQSZACIVSA-N 430.346 5.519 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@@]21CNc1ccc(C#N)c(Br)c1F 2162326455 HJMWWXWTGRFGOG-JLTOFOAXSA-N 438.341 5.051 30 10 IKEE Cc1sc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)c(C)c1C 2228571623 UFQZEOGOYOECQL-QGZVFWFLSA-N 435.387 6.442 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C#Cc1ccccc1Br 2235731360 LTPGYOMTSDEMMR-PMACEKPBSA-N 436.390 5.025 30 10 IKEE CCCCC#CC[C@@H](NC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237424321 UZERMGSYGDDVRE-WOJBJXKFSA-N 437.422 5.057 30 10 IKEE CC(C)(C)OC(=O)NC[C@@]1(C)CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2258857845 SVXYIQRDALWQQH-DNQXCXABSA-N 447.551 5.544 30 10 IKEE C=CC[C@]1(COc2c(N)cccc2Br)CCCN(C(=O)OC(C)(C)C)C1 2272238018 HDADSGSFBHUIMB-FQEVSTJZSA-N 425.367 5.004 30 10 IKEE C=CCC[C@H](C)[C@@H](OCCC(=O)O)c1scc(Br)c1Br 2291032864 KWHRJTKVSJEDIC-TVQRCGJNSA-N 426.170 5.408 30 10 IKEE C=C(COCc1ccccc1)[C@@](CC)(OCCC(=O)O)c1ccc(Br)cc1 2291118641 DVAYPFGGCZECHW-JOCHJYFZSA-N 433.342 5.319 30 10 IKEE CN(CC[C@H](Nc1cc(Br)c(C#N)cc1F)C(C)(C)C)C(=O)OC(C)(C)C 2296001243 UPVKFKKNFUFVEA-KRWDZBQOSA-N 442.373 5.543 30 10 IKEE Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 2296215348 DRKMWZBPSIYESD-NRFANRHFSA-N 448.862 5.183 30 10 IKEE CCn1cc(C=C2Oc3cc(OC(=O)c4cccc(OC)c4)ccc3C2=O)c2ccccc21 2296595903 UYMBDJMZLHKKOW-UHFFFAOYSA-N 439.467 5.505 30 10 IKEE O=C1ON=C(c2ccccc2)C1=Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc12 2297304952 QNJCHTIBPTZZFL-UHFFFAOYSA-N 439.898 6.417 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@@]1(C#N)C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 2310844829 ROFOKUDQVUWSJT-ASTYLPHCSA-N 436.527 5.845 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1cc(Cl)cc(Br)c1F 2315459088 TZPNKHLTMBKBHC-HOCLYGCPSA-N 435.765 5.362 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccc(OC(C)C)c(Cl)c1 2318574767 SYIGYSUBNUJLIE-UHFFFAOYSA-N 443.016 6.154 30 10 IKEE N#Cc1nc(-c2ccccc2)oc1NN=Cc1cccc(OCc2ccc(Cl)cc2)c1 2320833992 VCIADUCEUMKHLS-UHFFFAOYSA-N 428.879 5.892 30 10 IKEE O=[N+]([O-])c1cccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C2CC2)c1 2320915331 YGQLIJNXYWXGIS-UHFFFAOYSA-N 431.880 5.031 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OCc4cccc(Cl)c4)cc(C)c3C2=O)cc1 2321766737 MVQLWZVTEXZKPM-UHFFFAOYSA-N 447.962 6.690 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCc4cc(Cl)cc5c4OCOC5)c3C)C2=O)cc1 2321880692 VLJXXPUTWSSVRT-UHFFFAOYSA-N 448.902 6.019 30 10 IKEE COc1ccc(C=C2Oc3c(cc4c(c3C)OCN([C@H](C)c3ccccc3)C4)C2=O)cc1 2322371200 SJWGDXGCRYQVQC-GOSISDBHSA-N 427.500 5.533 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1C 2322401750 LMRBIGKGPHZHMM-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE COc1ccccc1C(=O)C=Cc1c(OCC(=O)Nc2ccccc2)ccc2ccccc12 2322481459 RAEIRWGENPJNCF-UHFFFAOYSA-N 437.495 5.762 30 10 IKEE O=C(COc1ccccc1C=CC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccccc1 2322580824 PCWCTYFJKNCBGP-UHFFFAOYSA-N 426.299 5.907 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2cc(C)cc(C)c2)cc1 2322607113 MNSYXNJPUVDEHE-UHFFFAOYSA-N 443.543 6.006 30 10 IKEE CCc1ccccc1NC(=O)COc1ccccc1C=CC(=O)c1cc(OC)ccc1OC 2322659595 YJPIHDJQJOEPNM-UHFFFAOYSA-N 445.515 5.180 30 10 IKEE COc1cccc(C=CC(=O)c2ccc3c(c2)OCCO3)c1OCc1cc(C)ccc1C 2322680934 DKBWQGVRDZVMGT-UHFFFAOYSA-N 430.500 5.558 30 10 IKEE COc1ccccc1C(=O)Oc1cc(C)c2c(c1)OC(=Cc1ccc(C(C)C)cc1)C2=O 2322698864 ZAMBUETVSSWMQE-UHFFFAOYSA-N 428.484 5.962 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCc3ccccc3C)ccc3ccccc23)cc1F 2322708293 JEYWTCOGULFCHO-UHFFFAOYSA-N 426.487 6.771 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cc(Cl)ccc2OCc2cccc(C)c2)cc1C(C)C 2322799316 WPXXJESPIFSYHF-UHFFFAOYSA-N 448.990 7.564 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccccc1OCC(=O)Nc1ccccc1C 2322926830 PFBINKWTGFDQQA-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCN(CC)C(=O)COc1ccc(Cl)cc1C=CC(=O)c1cc(C)c(OC)cc1C 2322997550 YOIKHMUEBMQOTO-UHFFFAOYSA-N 429.944 5.109 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1OCc1ccccc1F 2323072443 CIAVXGFRPSBNHU-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1OCc1c(Cl)cccc1Cl 2323212705 YEVUTVBRUPWOGS-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE Cc1cc(OC(=O)Cc2ccc(F)cc2)cc2c1C(=O)C(=Cc1ccc(C(C)C)cc1)O2 2323229880 HITWOIVWQQWSRB-UHFFFAOYSA-N 430.475 6.022 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(Br)c2)C3=O)cc1C 2323247736 IFLLKFBCLDJTLB-UHFFFAOYSA-N 449.300 5.901 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1OCc1ccccc1F 2323302655 GVGPFZCAJYHPAS-UHFFFAOYSA-N 432.535 6.915 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)C=Cc4ccc([N+](=O)[O-])cc4)cc(C)c3C2=O)c1 2323597747 QPLDYTMFUMFJSK-UHFFFAOYSA-N 441.439 5.447 30 10 IKEE COc1ccc(C=NNc2nc(-c3ccc(F)cc3)cs2)cc1OCc1ccc(C)cc1 2323840391 XHKDVHHCRJKKNP-UHFFFAOYSA-N 447.535 6.291 30 10 IKEE Cc1cc(O)c(CN2C[C@H](C)O[C@@H](C)C2)c2c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O2 2324017865 BJCIPTIQYVJXTJ-ROUUACIJSA-N 435.564 5.224 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OCCc3ccccc3)cc2)cc1 2324201444 BYUKSOGBZITTQR-UHFFFAOYSA-N 442.599 7.553 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)c(OC)c1 2324463900 WHNGOAJMXRIMPB-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE CCN(CC)C(=O)COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1Cl 2324574715 XQSBFVFMPAIHLU-UHFFFAOYSA-N 441.999 6.089 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1Cl 2324606102 YOFNTTMCOYZEPR-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE Cc1c(OCCOc2cccc3ccccc23)ccc2c1OC(=Cc1ccc(F)cc1)C2=O 2324694062 HRMVVUDNGKENCW-UHFFFAOYSA-N 440.470 6.361 30 10 IKEE N#C[C@@H](C(=O)C=Cc1cccc(Cl)c1)c1nc(-c2cc(Cl)ccc2Cl)cs1 2324834570 WOEMNQRGPSXPPX-INIZCTEOSA-N 433.747 6.660 30 10 IKEE CC(=O)Nc1ccc(C(=O)COc2ccc3c(c2C)OC(=Cc2ccc(C)cc2)C3=O)cc1 2325235409 QSQSAKZEARTJJB-UHFFFAOYSA-N 441.483 5.140 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1N=Cc1cc(Br)ccc1O 2325513991 HKRAEDLXACCLBM-UHFFFAOYSA-N 445.386 5.263 30 10 IKEE COc1ccc(CCOc2ccc3c(c2C)OC(=Cc2cccc(OC)c2OC)C3=O)cc1 2325631561 WPRQEERNNUBMEG-UHFFFAOYSA-N 446.499 5.259 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1OC(=O)Cc1cccs1 2325690374 WAXHRLKMADFZMB-UHFFFAOYSA-N 428.509 5.954 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(F)c(F)c3F)c2)c1 2325706713 KXUYBMMGSYWZIG-UHFFFAOYSA-N 442.389 5.236 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc4c(c3)OCO4)c2)cc1 2325739542 OWMPXTUSZNVDCT-UHFFFAOYSA-N 430.456 5.319 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OC(=O)c1ccccc1Cl 2325750282 FNXFISRKQIYTSC-UHFFFAOYSA-N 434.919 6.587 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)CCC)c2)cc1 2325751709 JGDWNIXVKAVIQE-UHFFFAOYSA-N 438.564 6.646 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1N=Cc1ccccn1 2325856074 UJUFXCVPNNXDRQ-UHFFFAOYSA-N 435.597 5.143 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1N=Cc1c(C)n(CC)c2ccccc12 2326231630 GYGGDLRZOWXVIM-UHFFFAOYSA-N 431.609 6.078 30 10 IKEE CCc1nnc(SCc2ccc(F)cc2)n1N=Cc1cc(Cl)c(OC)c(Cl)c1 2326238677 NTXAEQBMUUBAFN-UHFFFAOYSA-N 439.343 5.470 30 10 IKEE CCOc1ccc(C=Nn2cnnc2SCc2cc(C)ccc2C)cc1Br 2326589228 UDFHIFOXFKTRJN-UHFFFAOYSA-N 445.386 5.231 30 10 IKEE C=CCOC(=O)c1sc(NC(=O)C=Cc2ccc(OCc3ccccc3)cc2)nc1C 2326769087 AGEZZZOPUQJSDX-UHFFFAOYSA-N 434.517 5.025 30 10 IKEE CCCSc1nnc(CCc2ccccc2Cl)n1N=Cc1cccc2ccccc12 2327980189 XLQHBQYRLDVFMK-UHFFFAOYSA-N 434.996 6.254 30 10 IKEE CCCCC1CCC(c2nnc(SCc3cccc(C)c3)n2N=Cc2cccnc2)CC1 2328131336 BZLLJCFWKVEOMM-UHFFFAOYSA-N 447.652 6.620 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccccc3C)nnc2-c2ccccc2Cl)c1 2329538903 XJGDQVKWABXQHR-UHFFFAOYSA-N 448.979 6.090 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3F)n2N=Cc2cccc(C)c2)cc1 2329700975 FPTMYZUIMSSISC-UHFFFAOYSA-N 430.552 5.799 30 10 IKEE CCCOc1c(C=Nn2c(COc3ccccc3)nnc2SCCC)cccc1OC 2329920605 FMFKZHUYQJKFEF-UHFFFAOYSA-N 440.569 5.039 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2N=Cc2cccc(C)c2)cc1 2330022093 WDLITUNAEXMYQE-UHFFFAOYSA-N 447.007 6.314 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccccc1 2330139918 SMSKBJOCSHVVRO-SFHVURJKSA-N 432.980 6.258 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2)n1N=Cc1ccc(Br)cc1 2330193448 WMFGNSBALLTHBD-UHFFFAOYSA-N 441.398 5.376 30 10 IKEE Fc1ccc(C=Nn2c(Cc3cccs3)nnc2SCc2ccccc2F)cc1 2330393005 MRVHMKBAQBAVKX-UHFFFAOYSA-N 426.517 5.383 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1Br 2330664484 ZQNIOFNWFOCSKF-UHFFFAOYSA-N 437.333 6.594 30 10 IKEE O=C(Cc1cccs1)Oc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1[N+](=O)[O-] 2330684947 PAHVHJXRXBVMFN-UHFFFAOYSA-N 447.512 5.579 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 2331018380 UMQTWQFACDQQBZ-UHFFFAOYSA-N 429.472 5.592 30 10 IKEE O=C(CSc1nnc(C2CCCC2)n1N=Cc1cccc(Cl)c1)NC1CCCCC1 2331079326 PPMGVFHWTLUNGV-UHFFFAOYSA-N 446.020 5.012 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H]3CCCO3)cc2)cc1OCCC 2331109189 KKKRRPNCGFXMOW-XMMPIXPASA-N 438.520 5.245 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccco3)n2N=Cc2ccccc2C)c1 2331167852 FYVYYCJVIHLEOT-UHFFFAOYSA-N 445.548 5.076 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc([N+](=O)[O-])c1OC(=O)CC1CCCCC1 2331174337 SWKYHPRURWXRSY-UHFFFAOYSA-N 437.492 5.765 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc4nc(C)c(C)nc4c3)cc2)c(C)c1 2331216154 PIVGRLISSHQTRN-UHFFFAOYSA-N 436.511 5.979 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2Cl)c1 2331224296 GXJJRULFERMSPB-UHFFFAOYSA-N 434.919 6.471 30 10 IKEE Fc1ccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2-c2ccco2)cc1 2331230128 WSIULJYGWPUQKZ-UHFFFAOYSA-N 447.322 6.159 30 10 IKEE CC(C)(C)CC(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 2331245468 OUUUSQOAAYSSCA-UHFFFAOYSA-N 436.291 6.139 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1N=Cc1ccc(C)cc1 2331324424 XYXCROCFVFYHLE-UHFFFAOYSA-N 435.597 5.159 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1ccc(F)cc1F 2331350683 LTVYCWFMEOBTFA-UHFFFAOYSA-N 426.390 5.536 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1[N+](=O)[O-])c1cccc(F)c1 2331474106 FKCJKKSZXIWIRN-UHFFFAOYSA-N 441.414 6.002 30 10 IKEE CC(C)Cc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccccc1C(=O)O 2331474649 YUVMAXPYSLRFKT-UHFFFAOYSA-N 446.935 5.142 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2Cl)cc1 2331522854 KCEDECVURMKUJD-UHFFFAOYSA-N 436.910 6.892 30 10 IKEE CC(C)(C)CC(=O)Oc1ccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1Cl 2331595038 FOVYLWUHEGPMIU-UHFFFAOYSA-N 448.946 7.370 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)Cc1ccc(F)cc1 2331630712 IOJKYGGNRIIPMV-UHFFFAOYSA-N 448.490 5.504 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)cc2Cl)cc1 2331645664 ATPJVJHQZOCRAW-UHFFFAOYSA-N 432.947 6.997 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cc(Cl)ccc3Cl)cc2)cc1 2331859787 GVFLFNKBACUXEE-UHFFFAOYSA-N 425.311 6.671 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1ncc(C(F)F)s1 2343569148 IRUDTWISFQTCJY-GFCCVEGCSA-N 444.301 5.850 30 10 IKEE CCCCCCCCCCOc1ccc(Br)c(NC(=O)OC(C)(C)C)c1 2344306659 VZJGJRZRFGSDFA-UHFFFAOYSA-N 428.411 7.316 30 10 IKEE N#C[C@@H](C(=O)c1scc(Br)c1Br)c1ccc(Cl)c(F)c1 2362144631 DMSXBYGMUXJWQV-SSDOTTSWSA-N 437.515 5.556 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C/C2=Cc4ccccc4O[C@H]2C)C3=O)cc1 2133400 JFDAJWXBYOTKBR-MMDHUZEPSA-N 440.451 5.238 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 14466140 KPJZTYJQJPTTHP-AXHZCLLHSA-N 440.996 5.529 30 10 IKEE CCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(CC)cc2)C3)cc1OCC 21222957 QMCSRVVJJCPASK-NHCUHLMSSA-N 433.548 5.051 30 10 IKEE CCCCOc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(OC(C)C)cc1)C2 21246704 OUASMXLGAJHLGT-OFNKIYASSA-N 447.575 5.657 30 10 IKEE COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(C)c2)c1 21254686 DGMASYICSSTOMJ-GDJIYFAZSA-N 440.543 5.992 30 10 IKEE CCN(CC)c1ccc(/C=N\Nc2ncnc3sc4c(c23)C[C@@H](C(C)(C)CC)CC4)cc1 33097086 TZKRCBPRLXRXGF-KQACQGCHSA-N 449.668 6.525 30 10 IKEE CCCN(CCC)Cc1c(O)ccc2c1O/C(=C/c1ccccc1Br)C2=O 37857895 SKZZOBVMDFGFNN-DEDYPNTBSA-N 430.342 5.393 30 10 IKEE COc1ccccc1C(=O)O/N=C1\CC(C)(C)Cc2c1cc(C)n2-c1cc(C)cc(C)c1 39853180 MOXXAELQERKTJD-WEMUOSSPSA-N 430.548 5.945 30 10 IKEE COc1ccc(OC)c(/C=C2\S/C(=N/c3nc(C)cs3)N(C3CCCCC3)C2=O)c1 39865570 WRZMYKGDDZGKHE-QLIPUSLZSA-N 443.594 5.405 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccccc4C)c3C)C2=O)cc1OC 41284670 BVQMMBNLJTVEJR-UCQKPKSFSA-N 430.456 5.156 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccccc1OC(F)F)C2=O)c1cccc(F)c1 41430837 YAZHJHJWBILLCU-JAIQZWGSSA-N 426.346 5.263 30 10 IKEE CC(=O)/C(=N/Nc1ccccc1C)Sc1ncc(-c2ccccc2)n1-c1ccccc1 59121437 OFXSBWHJJQINIH-COOPMVRXSA-N 426.545 5.954 30 10 IKEE COc1ccc(CSc2nnc(N/N=C/c3c4ccccc4cc4ccccc34)[nH]2)cc1 59310069 ZSJNWPIBSITTOQ-CVKSISIWSA-N 439.544 5.858 30 10 IKEE CCCCCCCCCCOc1ccc(C2=N/C(=C\c3ccc(OCC)cc3)C(=O)O2)cc1 97997155 LHYNERIHICUYKK-QLYXXIJNSA-N 449.591 6.949 30 10 IKEE Brc1ccc(-c2ccc(/C=N/N/C(=N/c3ccccc3)c3ccccn3)o2)cc1 98064999 YOHGNXWZAHRCPB-WGOQTCKBSA-N 445.320 5.806 30 10 IKEE N#Cc1c(Sc2ncc(C(F)(F)F)cc2Cl)nsc1/C=C\Nc1ccccc1 100408575 WLACFGSAVVFSGN-SREVYHEPSA-N 438.887 6.316 30 10 IKEE CCCCCCCCCCCCCC(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1 100442654 ODBKEGOWXPSFPV-UHFFFAOYSA-N 436.640 7.256 30 10 IKEE C[C@H](/N=C1/S/C(=C2/Sc3ccccc3N2C)C(=O)N1C1CCCCC1)c1ccccc1 102148109 IBIGNXGUBHLRGR-XTHPLPRHSA-N 449.645 6.423 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccc(OC)cc2)c1 169922741 UDYDHRIVZAOQBF-XMMPIXPASA-N 443.499 5.185 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(CC)cc3)[C@H]2c2cccc(C)c2)c1 169966428 CEZQAKYSDLXULL-RUZDIDTESA-N 441.527 5.739 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccnc2)cc1 170003483 ZCYTURSBWUUPRT-QFIPXVFZSA-N 446.934 5.815 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@H]1c1ccncc1)c1cc2ccccc2o1 170021030 ZNHYVBNDMJUFFM-VWLOTQADSA-N 446.462 5.764 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2cccc(C)c2)cc1 170028362 DJQQRDXGGJXTPY-DEOSSOPVSA-N 445.490 5.624 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccc(F)cc2)cc1C 170062556 HYLPGPAEUDCKLB-DEOSSOPVSA-N 445.490 5.542 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2OC)cc1 170123805 JQECEMSGASEFCS-XMMPIXPASA-N 449.547 5.395 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccncc2)cc1C(C)C 170209216 IRRGSMSXVYMWTB-XMMPIXPASA-N 448.563 5.515 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCC)cc1 170215678 JSVDNLDGDQELIL-XMMPIXPASA-N 429.516 5.617 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCC)cc1 170215928 NDTIZGONQRVUJM-HSZRJFAPSA-N 437.536 5.171 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccccc1)c1cccc(Cl)c1 170223066 PEBMYEDAFNTWEC-HXUWFJFHSA-N 425.818 5.401 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccccc2)cc1 170224922 FHTHWOVAAVBWCG-DEOSSOPVSA-N 443.499 5.265 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccc(F)cc2)cc1C 170240382 XYJJZDHOEMDERS-DEOSSOPVSA-N 445.490 5.542 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(C(C)C)cc1 170245855 AMKBWPQSVODDSO-QFIPXVFZSA-N 425.956 6.232 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(C(C)C)cc1 170245919 HSEWKDYCMLNXSJ-RUZDIDTESA-N 449.591 6.366 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(C(C)C)cc1 170246292 KFFNPAGOQLDPPC-DEOSSOPVSA-N 449.547 5.348 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@H]1c1ccccc1F 170253118 BHCSIOCBOPQDKU-OAQYLSRUSA-N 445.918 5.646 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2C)c1 170271068 AQEWASFBEWRXTQ-XMMPIXPASA-N 445.490 5.706 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cc(Cl)ccc2C)[C@@H]1c1ccco1 170284477 GVYZTTQCLVUUTB-HXUWFJFHSA-N 441.842 5.172 30 10 IKEE Cc1cc2sc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@H]3c3cccnc3)nc2cc1Cl 170482727 WZNOYXCSHVJAIJ-LJQANCHMSA-N 441.940 5.168 30 10 IKEE N#Cc1c(NC(=O)c2ccc3c(c2)CCCC(=O)N3)oc(-c2ccccc2)c1-c1ccccc1 170570821 AAYVTOYPGRVMCJ-UHFFFAOYSA-N 447.494 6.012 30 10 IKEE CCCCCCCCCCCC[C@H](O)c1cc(Br)c(Br)s1 229286820 HXNKTTWHPQEOKE-HNNXBMFYSA-N 440.285 7.618 30 10 IKEE CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4CC(=O)/C(=C/O)C[C@]4(C)[C@@H]3CC[C@@]21C 254522174 UXGWFWJQNSRBBQ-PAIDXSRUSA-N 426.685 7.895 30 10 IKEE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccccc2C#N)[C@@H]1c1cccc(F)c1 526609009 LXQPYEOZBNXYLY-HSZRJFAPSA-N 444.462 5.162 30 10 IKEE CCOc1ccc(/C=N\n2c(C)nnc2SCc2ccc(C)cc2)cc1Br 526804551 XEZVUBOCJIVGLD-UUYOSTAYSA-N 445.386 5.231 30 10 IKEE COc1cc(/C=N\n2cnnc2SCc2ccc(C(C)(C)C)cc2)cc(Cl)c1OC 526805763 PKVRHHNGECZTOH-ROTLSHHCSA-N 444.988 5.421 30 10 IKEE CCCCCOc1ccc(/C=N\n2cnnc2SCc2ccc(Cl)cc2)cc1OC 526806248 BZUSUNSWKFPAPH-QFEZKATASA-N 444.988 5.684 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccccc2F)c1 526808994 UDSUXJBUJIKKRP-PKAZHMFMSA-N 430.552 5.685 30 10 IKEE CCCCCCCCCC[C@@H](O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 696197590 NVYPQNAUVQRTEX-HXUWFJFHSA-N 442.438 7.360 30 10 IKEE C[C@H]1CC[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)CN1C(=O)OC(C)(C)C 698354875 UCOJFAKLFYCDBE-MHECFPHRSA-N 429.561 5.105 30 10 IKEE CC(C)C[C@@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Br)c2)C1 698496286 HXOLPEIYLOWPFC-JTSKRJEESA-N 435.406 6.689 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@H](C#N)c1cc(F)cc(Br)c1 698869172 RVCAXATZTJQCRS-GOSISDBHSA-N 425.342 6.113 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@@H](C#N)c1cscc1Br 698893528 VXBVWFLQFYVQTG-HNNXBMFYSA-N 427.751 6.170 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C1 724076857 HXIIXCWPCZKKPD-MWTRTKDXSA-N 433.524 5.154 30 10 IKEE Cc1cc[n+](/C(C(=S)Nc2ccc(OC(F)F)cc2)=C(/O)c2ccc(C#N)cc2)cc1 762445209 JLOZTVUQLWRLRL-UHFFFAOYSA-O 438.479 5.079 30 10 IKEE Brc1cccc(C=Nc2ccc3oc(-c4ccc5ccccc5c4)nc3c2)c1 1084415587 WFTJTARUBCMTAN-UHFFFAOYSA-N 427.301 7.161 30 10 IKEE COC(=O)c1ccc(O)c(N/C(=N/Cc2cccc(C(F)(F)F)c2)NC2CCCCC2)c1 1088664809 KHLIDUNKRQHXDK-UHFFFAOYSA-N 449.473 5.088 30 10 IKEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2[C@@H]2C[C@H]2CF)C1 1705916539 PXMNYITVNSOCIT-LCLWPZTBSA-N 448.970 5.000 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(OCc3ccc(C)cc3)cc2)SC1=Nc1cccnc1 1772732474 XIEYNJXLJJFSHQ-OFYGDPCRSA-N 441.556 5.759 30 10 IKEE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)C(=NNc2ccc(F)cc2)CCC3)c1 1772749375 MJQCNJVKJFFVQP-UHFFFAOYSA-N 437.471 5.149 30 10 IKEE Cc1ccccc1-c1nc2sc(-c3ccccc3)cc2c(=O)n1Cc1cccc(C#N)c1 1857803257 JIQFDZLRHHJDMY-UHFFFAOYSA-N 433.536 6.020 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)cc1C)C2=O 1859455747 GARSBKVAKWXOPE-UHFFFAOYSA-N 434.580 5.975 30 10 IKEE CC(C)(C)c1csc(NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1C#N 1860749911 DGBCGACTJUNYJK-UHFFFAOYSA-N 429.851 5.167 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(Cl)cc2)n(Cc2c(F)cccc2Cl)n1 1862361734 ZVUCBMUCMRQWRW-UHFFFAOYSA-N 444.337 5.859 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2cccc3ccccc23)cc1 1862396175 FJLFKWFAPVYAMM-NIYFSFCBSA-N 441.571 6.559 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccccc1Cl)c1cccc(Cl)c1 1862445724 CAFBZQOUXBBAIT-FQEVSTJZSA-N 439.298 5.167 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2cccc(Cl)c2)cc1 1862486760 KVTUFPCBDQLANS-DEOSSOPVSA-N 445.946 6.044 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccc(O)cc2)c1 1862489416 BGBRHIZLESVOSZ-DEOSSOPVSA-N 431.532 5.478 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2cccc(C)c2)cc1 1862514046 DBMRIFHXTWQFFE-DNVKUUNQSA-N 447.575 5.941 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc(F)cc2)cc1 1862516993 CENJOTZUNQIIRH-QFIPXVFZSA-N 425.500 5.239 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@@H]2c2ccccc2F)cc1 1862530678 VXROTMDYXOGYNH-HSZRJFAPSA-N 449.909 5.820 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1c(F)cccc1Cl 1862620364 QKCATGXJAHSNMU-FQEVSTJZSA-N 427.903 5.541 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1ccccc1 1862637339 XNXRZDSOHIALQJ-QHCPKHFHSA-N 439.527 5.773 30 10 IKEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc(Cl)c1 1862651771 ANVGOTRQUNDTJJ-QHCPKHFHSA-N 448.950 5.023 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(N(CC)CC)cc1 1862667835 LAYZYONMTIRDGI-DFBJGRDBSA-N 448.607 6.033 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccc(Cl)c1 1862725092 AULAIPVBNKRSRU-DEOSSOPVSA-N 445.946 6.241 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCC(C)C)=C(c2cc(OC)ccc2OC)C1=O 1863717738 YDVHDNSIGGZFED-UHFFFAOYSA-N 444.616 5.170 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2OC)C(=O)N(CCC(C)C)C1=O 1863774533 UQEDKQPLFYQUHH-UHFFFAOYSA-N 428.617 5.552 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCOCC)=C(c2ccc(F)c(C)c2)C1=O 1863790835 QUKGMXNHRZGPFB-UHFFFAOYSA-N 446.607 5.371 30 10 IKEE C=CCOC(=O)c1sc(NC(=O)c2ccccc2SCCC)c(C(=O)OCC)c1C 1865768118 BETDITXGDUKMPC-UHFFFAOYSA-N 447.578 5.330 30 10 IKEE CCc1nc(Nc2ccc(C#N)cc2)cc(N2C[C@H](c3ccccc3)Cc3ccccc32)n1 1868291700 UXOJJSYMOAPZEL-HSZRJFAPSA-N 431.543 6.132 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC[C@@H]2C(=O)c2ccc(OC)c(C)c2)nc(C(C)(C)C)n1 1869181441 JHUZWQGPBCTMRX-OAQYLSRUSA-N 448.611 5.121 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)nc(C(C)(C)C)n1 1869185818 AWPWHBMHSAJXRU-HSZRJFAPSA-N 432.656 6.592 30 10 IKEE CC(C)c1ccccc1-n1nnc(C#N)c1NC(=O)[C@H](Cc1ccccc1)c1ccccc1 1870148120 WHODOTAGUYFEQF-HSZRJFAPSA-N 435.531 5.227 30 10 IKEE CCCCCCCOc1cn(Cc2ccncc2)c(CNc2cccc(OC)c2)cc1=O 1870835807 KCQZCXPJUNNSMN-UHFFFAOYSA-N 435.568 5.262 30 10 IKEE C=CCn1cc(OCc2ccc(F)cc2)c(=O)cc1CNc1ccc(N2CCCCC2)cc1 1871073945 YZNNZHVAMKGCIO-UHFFFAOYSA-N 447.554 5.355 30 10 IKEE CCCCOCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(OCC)cc1)C3=O 1871350603 MGQKRMRISHFIQI-JLPGSUDCSA-N 437.536 5.060 30 10 IKEE CCCOc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2C)C3=O)c1 1871387924 QCMQNKVQUWPKMH-IWIPYMOSSA-N 428.484 5.928 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(=O)c(-c4ccccc4OC)c(C)oc3c2)cc1 1871389827 QBYKUPYGQIMDDJ-UHFFFAOYSA-N 442.467 5.561 30 10 IKEE CC(C)=C1Oc2c(ccc(OC(=O)c3ccc(OC(=O)c4ccccc4)cc3)c2C)C1=O 1871391929 LMJUEWROKHBTFO-UHFFFAOYSA-N 428.440 5.302 30 10 IKEE Cc1c(O[C@@H](C)C(=O)OC(C)C)ccc2c1O/C(=C\c1c(Cl)cccc1Cl)C2=O 1871401014 RPWGOVIQGCSJIT-GJUHEBOISA-N 435.303 5.637 30 10 IKEE Cc1c(O[C@@H](C)C(=O)Nc2ccccc2)ccc2c1O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871405140 OBLOLHRVUQMTDP-LIAPLOTISA-N 441.527 6.141 30 10 IKEE CCc1ccc(OCCCOc2ccc3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)cc1 1871412823 GKXDZZALJZBHTC-IMRQLAEWSA-N 443.543 5.779 30 10 IKEE COc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccc(Cl)cc4)ccc3C2=O)cc1 1871415366 YGOSTYLNNOVUTB-VRHSPDTKSA-N 449.890 5.371 30 10 IKEE COc1cccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccc(Cl)cc4)ccc3C2=O)c1 1871415369 YKKUYCLECPWUKO-KSJDGYIASA-N 449.890 5.371 30 10 IKEE O=C1/C(=C/c2ccccc2F)Oc2cc(OCCOc3cccc4ccccc34)ccc21 1871415722 PZFVYBUBZCNFHB-QQXSKIMKSA-N 426.443 6.053 30 10 IKEE CCOc1ccccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccccc1C)C2=O 1871418526 YFJBVEAWGDHZIO-OYKKKHCWSA-N 443.499 5.336 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C)cc4C)ccc3C2=O)cc1 1871418624 CVFZSXVHXJWLJQ-QFEZKATASA-N 443.499 5.336 30 10 IKEE C[C@H](Oc1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872760062 GINVSELFVMEGCL-YCRPNKLZSA-N 436.964 5.986 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(C)cc3C(C)(C)C)n2)cc1 1872764345 KMJZRDXDDGPXJX-LJQANCHMSA-N 434.561 5.680 30 10 IKEE COc1ccc(Cl)cc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872768760 BLLJOJXARPRELJ-CYBMUJFWSA-N 437.735 6.269 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)Cc3c[nH]c4ccccc34)n2)cc1C(C)C 1872779185 DGLYXIVMJIDADJ-NRFANRHFSA-N 443.572 6.151 30 10 IKEE COc1cccc(OC)c1C(=O)[C@H](C#N)c1nc(-c2cc(Cl)cc(C)c2OC)cs1 1872786680 PPTCXDBWWXDIBU-HNNXBMFYSA-N 442.924 5.288 30 10 IKEE CCCCCCCCCCNC1=C(c2cccc(OC)c2)C(=O)N(C2CCCC2)C1=O 1873044085 YPFRQMGQQYVHFA-UHFFFAOYSA-N 426.601 5.448 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)cc2Cl)=C(c2ccccc2C)C1=O 1873305875 ZYJDKGQWOYIUOG-UHFFFAOYSA-N 442.962 6.340 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(Nc2cccc(C#N)c2)=C(c2cc(F)cc(F)c2)C1=O 1873316759 KSOBVSCFNTXPLS-OAQYLSRUSA-N 437.490 5.387 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3F)n2/N=C/c2ccncc2)cc1C 1874330656 XTLNOSCGWLALST-LQKURTRISA-N 445.567 5.389 30 10 IKEE C=CCSc1nnc(CCc2ccccc2C)n1/N=C/c1ccc(N(CC)CC)cc1 1874362327 ZEGQNLQYQCYRLA-LGUFXXKBSA-N 433.625 5.378 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(F)cc3)n2/N=C/c2ccccc2C)c1 1874378510 PMIYKJQUKWZLIQ-JVWAILMASA-N 430.552 5.799 30 10 IKEE Fc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2ccc(F)cc2F)cc1 1874380157 ZFEYHQKAAAGPSA-MZJWZYIUSA-N 438.478 5.461 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2cccc(F)c2)n1/N=C/c1ccccc1O 1874393262 IFNCRCAFGXIJJO-AEIQVQRHSA-N 432.524 5.449 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2Cl)n1/N=C/c1cccn1C 1874395907 YGTZXUIEDOTKIF-STPJHCLOSA-N 435.984 5.596 30 10 IKEE COc1cc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccccc2Cl)ccc1O 1874438749 QRLMTCKDYQDZCY-ZMOGYAJESA-N 444.988 5.409 30 10 IKEE Clc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2C2CCCC2)c(Cl)c1 1874455976 UOFLLSXLRHVUMJ-MFKUBSTISA-N 445.419 6.460 30 10 IKEE COCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1cccc2ccccc12 1874503240 XSGYVAWXUDQZBF-JVWAILMASA-N 438.556 5.905 30 10 IKEE CCOc1c(/C=N/n2c(CC)nnc2SCc2ccc(Cl)cc2)cccc1OC 1874527194 BKDGUXJBXXJPDL-YDZHTSKRSA-N 430.961 5.076 30 10 IKEE Cc1ccc(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1 1874571789 GPQVYHKUVMCPNS-SAPNQHFASA-N 425.528 5.787 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccc(C)cc3)c2)cc1Cl 1874599784 DGLHPKSSIROJHG-XYOKQWHBSA-N 435.907 5.571 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OCc1nc(O)c2ccccc2n1 1874625409 CTWZRDXAIISCJP-NTUHNPAUSA-N 444.462 5.348 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2Cl)c1 1874631887 ZTHXGMYKOUCRRR-DHZHZOJOSA-N 433.935 6.179 30 10 IKEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1OCC 1874635563 PQBXOCNJVIAMHP-JLHYYAGUSA-N 437.580 5.492 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(C(F)(F)F)cc3)c2)cc1C 1874696119 JPDDOVUDHBIBFH-WUXMJOGZSA-N 440.417 6.138 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1OC(=O)c1cccc(C)c1 1874712784 QPNZTZALOWWZFB-FMIVXFBMSA-N 430.500 5.744 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cccc(OC(=O)COc2cccc(C)c2C)c1 1874713366 SDUWDSSNQSPJFV-OUKQBFOZSA-N 444.527 5.809 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(F)c(F)c2)CSc2nnc(C(C)C)n21 1874851820 DQGLNCBXJMUYQX-LJQANCHMSA-N 436.572 5.742 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4ccccc4c3)cc2Cl)cc1 1875096327 IQWSTDYWDGERQF-MKMNVTDBSA-N 442.898 6.617 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3ccccc3F)c(OC)c2)c1 1875101829 ROBLIFUCSRFVIH-ZHACJKMWSA-N 440.854 5.612 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3F)cc2)cc1 1875120072 AHTJCCACODSRGR-VGOFMYFVSA-N 436.454 5.798 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)CCCOc1ccccc1C 1875128744 RYIAJVGUBABFMI-BMRADRMJSA-N 444.527 6.054 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1cccs1 1875132303 PMXQBNDXTIFOEM-XBXARRHUSA-N 433.312 6.179 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Br)c1OC(=O)C1CC1 1875133577 BGBLBODNUBEPFB-WEVVVXLNSA-N 429.310 5.286 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)Cc1cc(C)ccc1C 1875151407 JZVVJCYXLIGXFM-RMKNXTFCSA-N 444.483 5.085 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)CC(C)C)c([N+](=O)[O-])c1 1875161066 WSWQLUOCZZOVQS-JXMROGBWSA-N 439.508 5.749 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OC(=O)CC(C)(C)C)c(Cl)c1 1875180766 XNMBKNFVFBKIIM-SOFGYWHQSA-N 435.347 6.548 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 1875184656 KAAACRVFXGBWGI-RVDMUPIBSA-N 432.947 7.061 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc1Cl 1875186756 BECGXFXHJRLIOY-UUILKARUSA-N 427.283 6.117 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N1CCC(C)CC1)n2CCCOC 1875221807 GRHYPMGSPRRCAS-UHFFFAOYSA-N 443.636 5.112 30 10 IKEE Cc1ccc(Nc2nc(C)cc(Nc3ccc(NC(=O)c4ccnc(C#N)c4)cc3)n2)cc1 1891762399 ARCGNDOEXVYFPZ-UHFFFAOYSA-N 435.491 5.100 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1 1922078694 YVXYGLHOILCDEI-ZEQRLZLVSA-N 430.633 5.601 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1922107870 PIEZTGIQJXOINQ-HJOGWXRNSA-N 430.633 5.459 30 10 IKEE CCC[C@](C#N)(CNC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)c1ccccc1OC 1944409540 ZVXPYEOHAWSTNA-QHCPKHFHSA-N 433.549 5.024 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C1(C)C 1987009347 KBSSXRYCVSNZMJ-KSFYIVLOSA-N 435.590 5.071 30 10 IKEE CC[C@H]1N(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1991576174 MSAJRQKDCUNOJE-VGOFRKELSA-N 435.952 5.373 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2CC(C#N)(N(Cc3cccs3)C(=O)OC(C)(C)C)C[C@@H]2C1 1996808888 SZPKBGWWZXOOOL-IAGOWNOFSA-N 447.601 5.024 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@H](C2CCC2)C1 2018428437 JOQAUZRCROFQEB-YADARESESA-N 435.609 5.341 30 10 IKEE C=CCCCCCCCC[C@H](O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2026314838 VVNZMWMEUZJKCQ-RPWUZVMVSA-N 432.649 5.679 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2C[C@](C#N)(N(C(=O)OC(C)(C)C)c3ccccc3)CC[C@@H]21 2027458203 QGADLUYGCKFNQY-KNOQFWTLSA-N 441.572 5.500 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 2041559907 NICBVTRQZLLNKQ-OSPHWJPCSA-N 447.551 5.497 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@H](CNC(=O)OC(C)(C)C)C1(C)C 2053042394 AZKQHJUWDALFAO-CJAUYULYSA-N 443.588 5.570 30 10 IKEE CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2067956385 MUGXUIHKCCKANP-DVECYGJZSA-N 447.551 5.495 30 10 IKEE C=CCCC[C@H](NC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071358334 OPUSTCYEJYUSGE-LBNVMWSVSA-N 431.576 5.822 30 10 IKEE Cc1ccc([C@H](n2nc(C(F)F)c(C#N)c2I)C(C)(C)C)cc1F 2079015718 ZBSNWFFIXBCBEU-AWEZNQCLSA-N 447.242 5.380 30 10 IKEE CC(C)(C)c1nn([C@@H](c2ccc(C(F)(F)F)c(F)c2)C2(C)CC2)c(Cl)c1C=NO 2080052491 AUEHMVLRVASMAG-INIZCTEOSA-N 431.861 6.190 30 10 IKEE CC(C)(C)OC(=O)NC1(CNc2cc(Br)cc(F)c2C#N)CCCCC1 2107438569 MYQRJVVTWNKJKK-UHFFFAOYSA-N 426.330 5.099 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@](C)(C#N)[C@@H]1C[C@H]2[C@@H](C1)C2(C)C 2149729281 OOXIWCPONAQCEQ-AQHYUZTGSA-N 433.390 6.155 30 10 IKEE CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1Nc1ccc(Br)c(C#N)c1 2149847013 RXZZBGPONAELKZ-VQIMIIECSA-N 436.394 5.404 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)C1(C#N)CCCCCCCCC1 2153453620 BDTPOAKOKSYIIO-UHFFFAOYSA-N 435.406 6.977 30 10 IKEE C=CCCCCCCC[C@@H](O)c1ccc(Br)cc1I 2227288805 QSSSRIDNIIEXMX-MRXNPFEDSA-N 437.159 6.004 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCC)c2cc(Cl)cc(Cl)c2Cl)C1 2235593272 HQHOZUVFPABTMR-QGZVFWFLSA-N 433.807 6.159 30 10 IKEE CCCCCCC[C@H](C)NC1CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C1 2250304774 KFTWRIFIDVABGQ-IBGZPJMESA-N 441.657 5.181 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](Nc2ccc(C#N)c(Br)c2)C[C@H]2CCCC[C@@H]21 2279522004 MLLDLLZAYGBUEV-BJZITVGISA-N 434.378 5.301 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)[C@H]2Nc1ccc(C#N)cc1Br 2285782465 OKVMXMJLNGSBPL-HGYGSNGRSA-N 434.378 5.205 30 10 IKEE Cc1cc(C)cc(N=C2NC(=O)C(=Cc3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)S2)c1 2294025446 YZACCTILOSAOID-UHFFFAOYSA-N 446.532 5.511 30 10 IKEE CCN1C(=C2SC(=Nc3ccccc3)N(c3cccc(C)c3)C2=O)Sc2ccccc21 2295178679 MWVVIEWHBGCKQJ-UHFFFAOYSA-N 443.597 6.564 30 10 IKEE CCCCN1C(=O)C(=C2Sc3ccccc3N2CC)SC1=N[C@@H](C)c1ccccc1 2295201845 HVWLYJFUIWKEQN-KRWDZBQOSA-N 437.634 6.280 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@](C)(NC(=O)OC(C)(C)C)C(C)C 2296228256 XGGZOKXMIGZHQB-DENIHFKCSA-N 437.422 5.108 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)CCC[C@H](C)NC(=O)OC(C)(C)C 2296310779 NSXQFUIXTIXDGG-FXAWDEMLSA-N 437.422 5.252 30 10 IKEE O=C(C(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1nc2ccccc2o1)c1ccccc1 2296696685 MVRKMJGXXJAUJI-UHFFFAOYSA-N 436.423 6.420 30 10 IKEE COc1ccc(C=C2Oc3cc(OCc4ccc(C(=O)OC(C)C)cc4)ccc3C2=O)cc1 2297316782 UGHXLPDKTRWCNA-UHFFFAOYSA-N 444.483 5.456 30 10 IKEE COc1ccc(OC)c(C=C2SC(=NC(=O)c3ccccc3)N(c3ccccc3)C2=O)c1 2297616375 NRYFYXKZUIUJRO-UHFFFAOYSA-N 444.512 5.021 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(OC)c2)ccc1OC(=O)c1ccccc1 2297638652 DKFBMBUPSRKNHY-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2304191619 VJBAGNNIVYZEKY-OALUTQOASA-N 427.545 5.110 30 10 IKEE CC(C)C[C@@H](CS)CSc1cc(I)ccc1Br 2308064616 WNDJHDOXXGGPET-JTQLQIEISA-N 445.229 5.738 30 10 IKEE COc1ccc(Cl)cc1C=C1SC(=Nc2ccccc2)N(C2CCCCC2)C1=O 2313511398 NUOJNZDPURANQI-UHFFFAOYSA-N 426.969 6.285 30 10 IKEE CCc1ccc(N=C2SC(=Cc3ccc(Cl)cc3)C(=O)N2c2ccc(CC)cc2)cc1 2313556531 CCVCABMEVNYXQS-UHFFFAOYSA-N 447.003 7.273 30 10 IKEE N#Cc1ccccc1NC(=S)NC(=O)C=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 2313718685 LFBSKEYBDQKQQX-UHFFFAOYSA-N 442.327 5.651 30 10 IKEE Cc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccccc1C(F)(F)F 2318571905 VSQFTXJDUKGBSW-UHFFFAOYSA-N 426.467 5.933 30 10 IKEE Cc1scc(C(=O)N(Cc2ccccc2)[C@H](C)C(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2320437128 GCTIMTLCOJQCTA-GOSISDBHSA-N 441.446 5.433 30 10 IKEE CCCCc1nnc(S)n1N=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12 2321911169 KYXNPTAICPAAQV-UHFFFAOYSA-N 434.540 5.663 30 10 IKEE CCCCC[C@@H](CC)N1COc2ccc3c(c2C1)OC(=Cc1c(F)cccc1Cl)C3=O 2322071999 ORJMWFMNGPKBOA-MRXNPFEDSA-N 443.946 6.606 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2)Oc2c1ccc1c2CN(CCCc2ccccc2)CO1 2322214318 BWHQDJPFGRTRLX-UHFFFAOYSA-N 431.919 5.741 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1cccc(F)c1)O3)CN(CCCc1ccccc1)CO2 2322214546 ZGJUEZVGIBSGPM-UHFFFAOYSA-N 429.491 5.535 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccccc2)c1OCc1ccc(Cl)c(Cl)c1 2322545636 CLIXLOWNSOHBBN-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OC(=O)C(Cl)(Cl)Cl)cc(C)c3C2=O)cc1 2323038901 LKHMOFORQTZXIB-UHFFFAOYSA-N 441.694 5.286 30 10 IKEE COC(=O)c1ccc(COc2cc(C=CC(=O)c3ccccc3Cl)ccc2OC)o1 2323087123 KLEJMIVXYFQFJI-UHFFFAOYSA-N 426.852 5.203 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OC(=O)c3ccc(Cl)c(Cl)c3)ccc2C1=O 2323259191 SSZYQHMBTPSZIL-UHFFFAOYSA-N 431.296 6.199 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc(F)c2)c(Cl)c1)c1ccc(-c2ccccc2)cc1 2323351834 OWKOALMYHCIFKC-UHFFFAOYSA-N 442.917 7.621 30 10 IKEE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1OC 2323375466 XGPGCKGEICIPOR-UHFFFAOYSA-N 442.467 5.024 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)C=Cc4ccc([N+](=O)[O-])cc4)ccc3C2=O)c1 2323594713 AUKYPFWJNRBVPT-UHFFFAOYSA-N 427.412 5.138 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2Cl)cc(OC)c1OCC(=O)OCC(C)C 2323626557 JIJJTXOMZYJXNA-UHFFFAOYSA-N 442.939 5.551 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1cccc(F)c1 2323688125 NDFFTADUWHNUNH-UHFFFAOYSA-N 447.462 5.946 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OC(=O)C=Cc4ccccc4)ccc3C2=O)cc1 2323745286 RBTLKIYFWOSZRO-UHFFFAOYSA-N 439.511 5.768 30 10 IKEE COc1cc(C=NNc2nc(-c3c(C)cc(C)cc3C)cs2)cc([N+](=O)[O-])c1OC 2323870652 ODKDFGXPMPNUOD-UHFFFAOYSA-N 426.498 5.107 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(O[C@H](C)C(=O)Nc4ccccc4C)c3C)C2=O)cc1 2324412788 GBMZIKAMTHPHIK-LJQANCHMSA-N 427.500 5.634 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)ccc1OCc1ccccc1F 2324585057 WSTIJGGEBBUFHH-UHFFFAOYSA-N 446.562 7.305 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(Cl)c(Cl)c3)n2)cc1F 2324628161 PHYOYCCQHNKRAU-CQSZACIVSA-N 447.318 6.154 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1cccc(OCCC)c1 2325522066 NVCIRNUGCOLXNB-UHFFFAOYSA-N 436.625 6.201 30 10 IKEE CCOc1ccc(C=Nn2c(CC)nnc2SCc2ccc(Cl)cc2)cc1OC 2325604873 XMWZWSZIBSGXBL-UHFFFAOYSA-N 430.961 5.076 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccc(Cl)cc3)c2)cc1 2325718004 JQAYPWTVMAHNDG-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Br)c2)cc1OC(=O)CC(C)(C)C 2325720204 AEKWOQGBZWEBEA-UHFFFAOYSA-N 431.326 5.695 30 10 IKEE O=C(C=Cc1cccc(OC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)c1)c1cccc(Cl)c1 2325728788 BKVWQHFSUOZFJA-YADHBBJMSA-N 437.322 6.599 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)c2)cc1 2325734970 AEMAZZDMPPGYOC-BJKOFHAPSA-N 446.930 6.344 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC(=O)Cc2ccccc2)c1 2325752629 RFSZEORYWVQCTA-UHFFFAOYSA-N 428.528 6.037 30 10 IKEE COc1ccc(CC(=O)Oc2cc(C=CC(=O)c3ccc(C)c(C)c3)ccc2OC)cc1 2325759719 PZXGKDALSXYOEY-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE CCCc1nnc(SCc2cccc(F)c2)n1N=Cc1cc(Cl)c(O)c(OCC)c1 2326733637 AHUQDHJGSJFIGP-UHFFFAOYSA-N 448.951 5.302 30 10 IKEE CCCOc1cccc(C=Nn2c(COc3ccccc3OCC)nnc2SCC)c1 2326823774 RWJDPWYGCZWRFM-UHFFFAOYSA-N 440.569 5.039 30 10 IKEE C=CCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccc(N(C)C)cc1 2327288911 SQWNAZFMAJQAEH-UHFFFAOYSA-N 435.597 5.009 30 10 IKEE CCCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1cn(C)c2ccccc12 2327771948 XGBHLFOEKXUZAH-UHFFFAOYSA-N 439.588 5.898 30 10 IKEE Cc1cccc(C=Nn2c(CCOc3ccccc3)nnc2SCc2cccc(C)c2)c1 2329171104 VNYPBZUEFXPUCV-UHFFFAOYSA-N 442.588 5.691 30 10 IKEE Cc1ccccc1CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1ccc(O)cc1O 2330057709 GGHOTVQBUQSPID-SFHVURJKSA-N 444.560 5.324 30 10 IKEE COc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCc2cccc(F)c2)cc1 2330246418 FBEZUKPFLCOYOH-UHFFFAOYSA-N 438.572 5.723 30 10 IKEE Oc1cccc(C=Nn2c(CC3CCCCC3)nnc2SCc2cccc(Cl)c2)c1 2330290232 JUTIHFWGODMJIA-UHFFFAOYSA-N 441.000 5.934 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2cc(Cl)ccc2O)cc1 2330625077 QBTNHECJQMUJEX-UHFFFAOYSA-N 434.952 5.787 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2-c2ccccc2)cc1 2330639782 ADIPNOMPTNOUIQ-UHFFFAOYSA-N 432.524 5.657 30 10 IKEE Cn1cc(C=Nn2c(SCc3ccc(F)cc3)nnc2-c2ccccc2)c2ccccc21 2330639969 CUZSBKPKYIQQGO-UHFFFAOYSA-N 441.535 5.750 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)Cc1cccs1 2330640208 YCESFJIEBXDBLT-UHFFFAOYSA-N 437.473 5.099 30 10 IKEE COc1ccc(OC)c(C=Nn2c(SCCc3ccccc3)nnc2-c2ccccc2)c1 2330676721 AJEAVOWDETWRMM-UHFFFAOYSA-N 444.560 5.179 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)c(C)c3)c([N+](=O)[O-])c2)cc1 2330749777 FIYLAWWSROBBOC-UHFFFAOYSA-N 443.499 5.818 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(OC)c2)cc(OC)c1OC(=O)c1ccccc1C 2330798480 AYIDPHDVKYOTBQ-UHFFFAOYSA-N 442.511 5.856 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2[C@@H]2CCCO2)cc1 2330910517 PBFPGTSRENPASX-NRFANRHFSA-N 440.544 5.232 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)cc3)cc2OC)c1 2330993262 NOGMZMICVSZHCY-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE Cc1ccccc1CSc1nnc(C2CCCC2)n1N=Cc1c(Cl)cccc1Cl 2331030732 JRRDLFWVJPRQTR-UHFFFAOYSA-N 445.419 6.725 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1Cl)c1ccc([N+](=O)[O-])cc1 2331089760 MNKHLHWLJGHTQB-UHFFFAOYSA-N 443.789 5.642 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2C(F)(F)F)cc1 2331115914 LMDHJHJQTBSZCD-UHFFFAOYSA-N 436.478 5.908 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccncc2)c(Br)c1)c1ccc(Cl)cc1 2331145413 OVNSMNQDHLKMSG-UHFFFAOYSA-N 442.696 5.613 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OCC)cc2)cc1OC 2331212977 YLFIJYDNEUWVKE-UHFFFAOYSA-N 438.564 6.646 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3OC)cc2)cc1OC 2331351761 WXDMYTROFWYSKS-UHFFFAOYSA-N 446.499 5.065 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)cc1 2331352356 MOQDUNBQEIESDO-FGZHOGPDSA-N 446.930 6.262 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c1 2331381093 HQDKUXZOBHENCU-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1OC(=O)c1ccc(C)cc1 2331532177 HMSTWENKWXZGEU-UHFFFAOYSA-N 449.434 5.556 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(F)cc2)cc1OCC 2331535386 UPZKOYNXDFVQLR-UHFFFAOYSA-N 426.528 6.777 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc(Cl)c1OC(C)=O 2331595378 CDJKPWLHQLHJFD-UHFFFAOYSA-N 436.891 6.352 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2cc(OC)c(Cl)cc2OC)cc1Cl 2331689864 NVGLJCQGKPDQOB-UHFFFAOYSA-N 437.319 6.002 30 10 IKEE COc1cccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C(C)C)c1O 2331705742 HTMCCAPNMCKGML-UHFFFAOYSA-N 432.549 5.443 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3)cc2)cc1Cl 2331804855 TWRMVPZRZOJVRZ-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE CCCN[C@@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)[C@H]1CC12CCC2 2345012756 NBARDFIXOJOKAE-YTMVLYRLSA-N 444.667 5.073 30 10 IKEE C=CCC(CC=C)[C@@H](NCCC)c1cc(Br)ccc1I 2364094369 CAAGAWQIFJECNF-QGZVFWFLSA-N 448.186 5.863 30 10 IKEE Cc1cccc2c1N(c1c(Br)cccc1C#N)CCN2C(=O)OC(C)(C)C 2381012010 NAQUBOYMENDZCY-UHFFFAOYSA-N 428.330 5.522 30 10 IKEE C=C(C)CN1C(=O)[C@@H](C)Oc2cc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc21 12082057 NOFBILSIMGYXAD-VZUFXWRPSA-N 431.319 5.335 30 10 IKEE CN(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(Cl)c2)cc1 20883059 OZRWXWSCXFEASX-WINIVTDRSA-N 443.978 6.386 30 10 IKEE CSc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)cc1 20884352 VIWOWKFGXVSVCO-HFJWLAOPSA-N 430.548 6.527 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2O)cc1 21220734 XQARIYLCGPVYMY-WHLCRQNOSA-N 440.543 6.161 30 10 IKEE COc1ccc(C/C(=N/Nc2ccnc3cc(Cl)ccc23)c2ccc(OC)cc2)cc1 33499510 WUFHJUDJNIZOOS-OLFWJLLRSA-N 431.923 5.964 30 10 IKEE Cc1cccc(/N=C2/NC(=O)S/C2=C\c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c1 35485241 SVYIOSHMVFOPSN-ODLFYWEKSA-N 429.328 7.089 30 10 IKEE C=CCC[C@@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1 36306482 JTULQWLBDRVLHV-HSZRJFAPSA-N 433.596 5.727 30 10 IKEE C=CCn1c(Cc2ccccc2)nnc1SCc1ccc(C(=O)Nc2nccs2)cc1 39850711 NUTCVBODYXPAPR-UHFFFAOYSA-N 447.589 5.056 30 10 IKEE C=CCNC(=O)c1c(Nc2cccc(C)c2)sc2c(-c3ccccc3)c(C#N)c(N)nc12 39895276 DUEFSKINFTZNAH-UHFFFAOYSA-N 439.544 5.385 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OC/C=C/c4ccccc4)cc(C)c3C2=O)c2ccccc21 41436387 QGTNPMDOOHDQBQ-PJDJIOGHSA-N 435.523 6.678 30 10 IKEE C=CCSc1nc2ccc(/N=C/c3ccc(Sc4nc5ccccc5[nH]4)o3)cc2s1 59391697 UYEOAEPJNXVATO-YDZHTSKRSA-N 448.598 6.946 30 10 IKEE CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@H]2c1ccc(Cc2ccccc2)cc1 59461906 GCPUYOSAHPNVLG-XTEPFMGCSA-N 445.562 6.320 30 10 IKEE O=[N+]([O-])c1cccc(/C=N/c2ccc3nc(SCCOc4ccccc4)sc3c2)c1 59854900 VNXBATPDBQLDNJ-HZHRSRAPSA-N 435.530 6.126 30 10 IKEE Cc1nn2c3ccccc3n(C)c2c1C(=O)/C=C\c1ccc(-c2nc3ccccc3s2)o1 96925870 DTOKKZMWUMFVAG-QBFSEMIESA-N 438.512 5.900 30 10 IKEE CCCCCCCOc1ccc2ccccc2c1[C@H]1Nc2ccccc2C(=O)N1[C@@H](C)CC 100139536 IJVACSKBDASVJD-KMRXNPHXSA-N 444.619 7.554 30 10 IKEE CCCCCCCCCCc1ccc2c(=O)c(O)c(-c3cc(O)c(O)c(O)c3)oc2c1 100302239 ZHMJMOHQHJTLML-UHFFFAOYSA-N 426.509 5.966 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(Nc2ccccn2)c1N 101531562 CLXNSUIXNRHULV-UHFFFAOYSA-N 426.653 7.091 30 10 IKEE CCCCCCCCCCCn1c([C@@H](C)NC(=O)c2ccccc2C)nc2ccccc21 102114190 LNTCNEWAEKWLEC-HSZRJFAPSA-N 433.640 7.367 30 10 IKEE O=C(/C=C(\Nc1ccc(Br)cc1)C(F)(F)F)c1ccc(Br)cc1 102810465 JKPZBHYOSUHICB-DHDCSXOGSA-N 449.064 5.953 30 10 IKEE CCCOc1ccc(C(=O)/C(=C/c2ccc(N(C)C)cc2)c2nc3ccccc3o2)cc1 102859827 DZDRFHBVBBHMHP-NKFKGCMQSA-N 426.516 6.106 30 10 IKEE CN1/C(=C2/S/C(=N/C3CCCCC3)N(C3CCCCC3)C2=O)Sc2ccccc21 107778691 QDBBGXGYZMJDNC-VHPLVOQASA-N 427.639 5.994 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2cccc(F)c2)c1 169928750 QSOYXQYIHZXTNX-HSZRJFAPSA-N 442.446 5.099 30 10 IKEE COc1ccccc1-c1csc(N/N=C\c2cc(Cl)c(OC)c(Cl)c2OC)n1 169941687 KBVXHUZSLXBHFX-AFPJDJCSSA-N 438.336 5.589 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(OC(C)C)c2)c(C)c1 169981310 ZTHNWBAFVYELDV-XMMPIXPASA-N 449.547 5.312 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)(C)C)cc2)[C@H]1c1ccccc1 170049143 DAWMCNDFNMYJLM-DEOSSOPVSA-N 441.527 5.776 30 10 IKEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccccc2)cc1 170055660 FCOKCRVSHNKHKH-XMMPIXPASA-N 445.490 5.311 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(Cl)cc2)cc1 170059851 JSXFVNKCFGLPII-OAQYLSRUSA-N 425.912 5.260 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)cc1 170062778 RSBMJSCEFSDSAL-JOCHJYFZSA-N 435.882 5.824 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@H]2c2ccc(F)cc2)cc1C 170065638 DWNLTXQYGIZYDT-QFIPXVFZSA-N 441.462 5.102 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2cccc(O)c2)c1 170080628 AIHLJNYVSMBLSK-DEOSSOPVSA-N 427.500 5.409 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2cccc(O)c2)ccc1F 170081502 AAIOQKDERXBZGQ-OAQYLSRUSA-N 437.854 5.276 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2sccc2C)c1 170104929 DUEQVFHDOWVLAX-OAQYLSRUSA-N 444.512 5.329 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2sccc2C)c1 170106946 UKPILDHVNGODNM-HXUWFJFHSA-N 437.948 6.110 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@@H]1c1ccccc1OC 170125841 SYHZCNZKGQFRFN-QHCPKHFHSA-N 437.536 5.089 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@@H]1c1cccs1 170165515 NPDDDQCOYPWGLH-NRFANRHFSA-N 441.593 5.823 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(C(C)(C)C)cc2)=C(c2ccc(Cl)cc2Cl)C1=O 170167514 PDIRMJCFKSSQFH-UHFFFAOYSA-N 429.347 5.669 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccccn2)cc1C 170172607 WIQZGDNEANEYTO-DEOSSOPVSA-N 442.515 5.107 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccc2)c1 170224089 BEVUBOVTHBMBOT-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2)cc1 170231486 XTIRQAYHJIQHBD-DEOSSOPVSA-N 433.548 5.632 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@@H]1c1c[nH]c2ccccc12 170256259 ONSJKJUAIBHHNY-QFIPXVFZSA-N 436.483 5.084 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1c[nH]c2ccccc12)c1ccc2ccccc2c1 170256557 JKUQJAGXMPGCOG-VWLOTQADSA-N 436.511 5.842 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC(C)C)c3)[C@@H]2c2ccco2)cc1 170284545 KYGCAUFDCQJDTA-QHCPKHFHSA-N 447.487 5.106 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccco2)ccc1Cl 170285495 MIGRRAYQIUETFH-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(F)cc1)c1ccncc1 170376780 MJCFBFMYAHMRJI-LJQANCHMSA-N 443.261 5.310 30 10 IKEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2c[nH]c3ccccc23)cc1 170382993 AMNQPCQEIFFZJJ-JOCHJYFZSA-N 443.528 5.078 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]2c2cccc(OC(C)C)c2)cc1 170475271 RZTWWNJHLLPGHB-JOCHJYFZSA-N 437.536 5.388 30 10 IKEE C=CCc1ccc(OCCn2c(/C=C\c3ccc(OC)cc3)nc3ccccc32)c(OC)c1 205751408 MJSHNZNJNIYSAM-LGMDPLHJSA-N 440.543 6.031 30 10 IKEE C=CCSc1ccccc1NC(=O)CSc1nnc(C23CC4CC(CC(C4)C2)C3)[nH]1 253568865 LTAOJYSDPQFGSO-UHFFFAOYSA-N 440.638 5.281 30 10 IKEE COc1ccc(-c2nc3cc(N=C/C=C\c4ccccc4)ccc3o2)cc1Br 254404491 CAUNZQPNEDHVSW-IHQDQHRSSA-N 433.305 6.682 30 10 IKEE Cc1cc(C)c2oc(-c3cc(N=Cc4cc([N+](=O)[O-])cc([N+](=O)[O-])c4O)ccc3O)nc2c1 254517767 GIBJFKMENZBNNF-UHFFFAOYSA-N 448.391 5.090 30 10 IKEE COC(=O)c1ccc(NC(=O)c2c(N=Cc3sccc3C)sc3c2CCCC3)cc1 254628693 DINSFMWNCIFAIH-UHFFFAOYSA-N 438.574 5.786 30 10 IKEE Cc1ccc(N=Cc2ccccc2OC(F)F)cc1N=Cc1ccccc1OC(F)F 254737527 IUTJQOXKSJAXPJ-UHFFFAOYSA-N 430.401 6.699 30 10 IKEE C=C(CC[C@@H]1OC1(C)C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C 255219768 ILQUAQTXYDCHSY-VAGSCCGESA-N 442.728 7.546 30 10 IKEE CC(=Nc1ccc(N=C(C)c2cc3ccccc3oc2=O)cc1)c1cc2ccccc2oc1=O 263629445 FTPPLPNIQJGURD-UHFFFAOYSA-N 448.478 6.181 30 10 IKEE C=CCOc1ccccc1CNc1ccc(I)c(Br)c1 312222886 CKFCFKLECQMJKC-UHFFFAOYSA-N 444.110 5.231 30 10 IKEE Cc1cc(NC(=O)c2ccc(OCc3ccccc3)cc2)cc(B2OC(C)(C)C(C)(C)O2)c1 405004953 AXWGSBZRDJZXMG-UHFFFAOYSA-N 443.352 5.126 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526489081 PDMBRFFSECDDGG-DEOSSOPVSA-N 426.491 6.052 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(NC(=O)c3ccc(C)c(C)c3)CC2)c1 585822463 VMVDAYHKTANUIH-UHFFFAOYSA-N 433.596 5.176 30 10 IKEE CSc1cccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)c1 686952144 DSQGSASWNSGCFY-GOSISDBHSA-N 433.371 6.177 30 10 IKEE CC(C)[C@H]1CCCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 698453584 VBTCWLBEYGEFAF-DENIHFKCSA-N 435.406 6.689 30 10 IKEE 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)C1CCCCCC1 698873300 IRLXCVPAKMILDY-RVGQZVGJSA-N 447.620 5.484 30 10 IKEE C=C1CCC(C[C@H](NCC)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)CC1 724611067 PPHZZZDUBLCIOF-IGKIAQTJSA-N 441.660 5.270 30 10 IKEE CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)O[C@@H](C#N)c1csc(C(=O)c2ccccc2)c1 1614949292 BSOHZJRXOVVHGV-VKJFTORMSA-N 434.344 5.678 30 10 IKEE Cc1cc(C)cc(-n2c(C)cc3c2CC(C)(C)CC3=NOC(=O)/C=C/c2ccccc2)c1 1772728706 VGNZPHMXMYCONI-PKGCRDIZSA-N 426.560 6.336 30 10 IKEE CN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2)SC1=Nc1cccnc1 1772730452 ADQSDFHWWSSKLD-PEODKBGFSA-N 435.936 5.548 30 10 IKEE CCc1ccc(NC(=S)N/N=C\c2cn(-c3ccccc3)nc2-c2cccs2)cc1 1857811244 LIEPVEDHXYKXSN-IWIPYMOSSA-N 431.590 5.484 30 10 IKEE N#Cc1cccc(C(=O)Oc2cccc3c(NC(=O)c4cccc(Cl)c4)cccc23)c1 1858920664 GNOCAFWMGKVGFH-UHFFFAOYSA-N 426.859 5.836 30 10 IKEE CC(C)Cc1nc2ccc(C(=O)Nc3cccc(C(=O)Nc4ccccc4C#N)c3)cc2[nH]1 1859119959 ZPYJEZFFPSDRMB-UHFFFAOYSA-N 437.503 5.138 30 10 IKEE CCCCc1ccc(NC(=O)COc2ccc(NC(=O)c3cccc(C#N)c3)cc2)cc1 1860159735 NLTNDZAHBKLIBE-UHFFFAOYSA-N 427.504 5.171 30 10 IKEE CC(C)c1ccc(NC(=O)CSc2nc(O)c(C#N)c(-c3cccc(Cl)c3)n2)cc1 1860463896 ZOTRRXSPCAUUOC-UHFFFAOYSA-N 438.940 5.228 30 10 IKEE CCCCCCCCNC(=O)C(C)(C)NC(=O)Cc1cc(Cl)ccc1SCC 1861006108 ZFAISRVUKLILBM-UHFFFAOYSA-N 427.054 5.366 30 10 IKEE CCCCCCCCNC(=O)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 1861835470 MLPXGXBQSPKORF-OAQYLSRUSA-N 445.947 5.196 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(O)cc2)cc1 1862390014 SXIQMBUOFQNVDI-RUZDIDTESA-N 447.575 6.036 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccccc2C)cc1C 1862401228 WOCAGEAMIGVRLV-DEOSSOPVSA-N 433.548 5.613 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cccc(Cl)c1)c1ccc(F)cc1F 1862415955 BYRDTEGWBTYZHC-HXUWFJFHSA-N 431.866 5.529 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2[C@H](C)c2ccccc2)c1 1862431287 DGJPYMHZFAOLLA-MWTRTKDXSA-N 447.918 5.688 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@H]1c1ccccc1F)c1cccc(Cl)c1 1862441629 AWITWAOEBKBLHZ-NRFANRHFSA-N 439.845 5.397 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1F 1862445849 FRYOTKWNSQFGJI-WHIIXXIBSA-N 445.893 5.775 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 1862476970 QYQSMOTUUYMXGB-DEOSSOPVSA-N 445.946 5.860 30 10 IKEE COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@H](C)c2ccccc2)ccc1O 1862480753 NWGLCFZNFKUCMP-MZNJEOGPSA-N 443.499 5.049 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccccc2Br)ccc1F 1862509932 SIFNBAYYNBQSMQ-IBGZPJMESA-N 446.316 5.131 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(C)cc2)cc1 1862531585 ABTMFURGJSMBDK-VWLOTQADSA-N 425.528 5.378 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2CC(C)C)cc1 1862540533 PQAXXBCTJYQYAD-VWLOTQADSA-N 449.591 6.052 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCCCc2ccccc2)cc1 1862589119 FFWLZJZAUIBJJL-VWLOTQADSA-N 441.527 5.302 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@H]1c1ccccc1Cl)c1cccc(O)c1 1862595751 PKRXSMZPUIPMRT-QHCPKHFHSA-N 447.918 5.257 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccccc1 1862616922 WAXRZGQYKNUTHV-RUZDIDTESA-N 447.619 6.923 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(Br)cc1 1862656930 QIQZGALNDIPIOY-FQEVSTJZSA-N 436.305 5.201 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccccc1C 1862660530 NLZNNZBXCPKHLW-RUZDIDTESA-N 449.591 5.904 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(O)cc1 1862662736 LOUVLEJUCYHSFO-DHLKQENFSA-N 449.591 6.453 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(O)cc1 1862687439 LDCLWVFVWBOIES-WMZHIEFXSA-N 437.536 5.338 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccccc1F 1862702488 DMQADOMAHPZJGG-HSZRJFAPSA-N 439.527 5.773 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccc(OC)c1 1862724652 QVDWVUIALYEPBV-DEOSSOPVSA-N 425.484 5.127 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1c(F)cccc1Cl)c1ccc(-c2ccccc2)cc1 1862727743 KXTHOLCOYKFBSN-QHCPKHFHSA-N 447.893 5.887 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccc(F)c1 1862748872 LGIQKRBYNGCITP-OYHNWAKOSA-N 446.434 5.073 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(Cl)cc2C)=C(c2ccc(C)cc2)C1=O 1863268753 NYWVNEOAFRSIPW-UHFFFAOYSA-N 438.999 6.509 30 10 IKEE C=CCN1C(=O)C(Nc2cccc(Cl)c2Cl)=C(c2ccc(OC(C)C)cc2)C1=O 1863359779 JFWISPZVAGWOAT-UHFFFAOYSA-N 431.319 5.159 30 10 IKEE CCCCCCCCNC1=C(c2cc(C)ccc2C)C(=O)N(CCOc2ccccc2)C1=O 1863737475 AFBQJZGPTDGVKA-UHFFFAOYSA-N 448.607 5.412 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2OC)C(=O)N(CCCCC)C1=O 1863763519 XBZZUPJWFJKRTQ-UHFFFAOYSA-N 428.617 5.696 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1cc(NC(C)=O)ccc1CC 1866029669 AMWTYCKYUIQDDL-UHFFFAOYSA-N 444.704 8.407 30 10 IKEE CCCC[C@H](NC(=O)C[C@@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)Nc1ccccc1C#N 1866775119 KPGOOZCKNPXCBZ-VWNXMTODSA-N 449.595 5.319 30 10 IKEE N#Cc1cccc(Nc2cc(N3CCC[C@H](Oc4ccccc4)C3)nc(-c3cccnc3)n2)c1 1868553765 VHNBANOWBFIWIL-DEOSSOPVSA-N 448.530 5.202 30 10 IKEE Cc1ccc(Cl)cc1-n1nnc(C#N)c1NC(=O)CCCOc1ccc2ccccc2c1 1870145173 VWPDXRMELKEWKI-UHFFFAOYSA-N 445.910 5.052 30 10 IKEE CCCCCCCCn1cc(OCCCCCCC)c(=O)cc1CSc1nnnn1C 1870251283 ARWOOFICSBYTFE-UHFFFAOYSA-N 449.665 5.374 30 10 IKEE CCCCCCCCCCn1cc(OCC(C)C)c(=O)cc1CSc1ncccn1 1870259294 PYNYPPKIGGHHQD-UHFFFAOYSA-N 431.646 6.106 30 10 IKEE C=CCn1cc(OCc2c(C)cc(C)cc2C)c(=O)cc1CNc1ccc(CCCC)cc1 1870802964 SEQBSGQCHFZXAE-UHFFFAOYSA-N 444.619 6.493 30 10 IKEE C=CCOc1cn(CCCOCC)c(CNc2cc(C(C)C)cc(C(C)C)c2)cc1=O 1870810001 GRXGIXBDDNHIKV-UHFFFAOYSA-N 426.601 5.699 30 10 IKEE CCCCCCCOc1cn(Cc2ccccn2)c(CNc2cccc(OC)c2)cc1=O 1870838026 KRUDXCQDMITIBB-UHFFFAOYSA-N 435.568 5.262 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)cc2)c(=O)cc1CNc1ccc(C)c(Cl)c1 1870861768 SYJCEFLYAUSWDX-UHFFFAOYSA-N 429.347 5.841 30 10 IKEE C=CCn1cc(OCc2cccc(OC)c2)c(=O)cc1CNc1ccc(OCCCC)cc1 1871054687 MOUWRRDDVFABDY-UHFFFAOYSA-N 448.563 5.413 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccccc1Cl)C3=O)CN(CCc1ccccc1)CO2 1871349119 YZJDAZCPXDGWEO-UCQKPKSFSA-N 431.919 5.659 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(C)c(C)c4)c3C)C2=O)c1OC 1871372322 KNHWUMCXWDZUSE-UCQKPKSFSA-N 444.483 5.464 30 10 IKEE CCn1cc(/C=C2\Oc3c(ccc(O)c3CN(C)C3CCCCC3)C2=O)c2ccccc21 1871393292 BEHMTRVMLQXMFC-MYYYXRDXSA-N 430.548 5.748 30 10 IKEE O=C1/C(=C/c2c(F)cccc2Cl)Oc2c1ccc(O)c2CN1CCOc2ccccc21 1871396100 NJWHPMQXZXUJAN-UUYOSTAYSA-N 437.854 5.200 30 10 IKEE C[C@@H]1CCCN(Cc2c(O)ccc3c2O/C(=C\c2ccccc2Br)C3=O)C1 1871396448 GFKKVCWAPQNMEM-LPKQHDGYSA-N 428.326 5.003 30 10 IKEE CCOc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2cccs2)C3=O)cc1 1871408607 XQVUWGZRRRMJMW-VOMLJKFNSA-N 449.528 5.477 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2sccc2C)C3=O)c(C)c1 1871410834 IIPOLQDICYNRTE-VYZAVGSRSA-N 433.529 5.696 30 10 IKEE COc1ccc(OCCCOc2cc(C)c3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871415671 NXPMZGZCECRTJF-XYGWBWBKSA-N 430.500 5.776 30 10 IKEE Cc1cc(C)c(COc2ccc3c(c2)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)cc1C 1871418081 VVPZCSWOCBVYTH-DICXZTSXSA-N 426.556 7.105 30 10 IKEE Cc1c(OCC(=O)Nc2c(F)cccc2F)ccc2c1O/C(=C\c1ccc(F)cc1)C2=O 1871440666 AQRPOASGYGRRJK-JAIQZWGSSA-N 439.389 5.046 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4cc(C)ccc4C)c3C)C2=O)cc1 1871460522 QXRYKSRPRATKFF-OYKKKHCWSA-N 427.500 5.554 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C(C)C)cc1)C(C)C)S(=O)(=O)c1ccc(F)cc1 1871829250 IHXONJRYWWXSLY-HSZRJFAPSA-N 446.588 5.179 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[C@H](C)CC)S(=O)(=O)CCCC 1871958477 BRDUPGCSMWGVBS-DNVCBOLYSA-N 449.444 5.355 30 10 IKEE C=C(C)CN([C@@H](C)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872425746 XZTMCTOZCPLYES-IBGZPJMESA-N 449.016 5.168 30 10 IKEE COc1ccccc1-c1csc([C@H](C#N)C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)n1 1872766077 BPDFUFCLBQSMBN-SWLSCSKDSA-N 447.343 5.769 30 10 IKEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3C(=O)c3ccccc3)n2)c(C)c1 1872769635 XCWVNUBKTFEDER-QHCPKHFHSA-N 436.536 6.148 30 10 IKEE Cc1cc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(Br)cc3)n2)ccc1F 1872772023 IFYKCSCIUKCMMI-INIZCTEOSA-N 429.314 5.439 30 10 IKEE N#C[C@H](C(=O)CNC(=O)c1ccc(Cl)cc1)c1nc(-c2cccc3ccccc23)cs1 1872775682 XLJNQLOYTZYLJL-HXUWFJFHSA-N 445.931 5.223 30 10 IKEE COc1cc(OC)c(-c2csc([C@@H](C#N)C(=O)Cc3ccccc3F)n2)cc1Cl 1872782100 DCHWVVHIPQYHIM-AWEZNQCLSA-N 430.888 5.039 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C\c3ccc(Cl)cc3)n2)cc1Cl 1872785557 PTIQVWKBSQTSMR-LWAXHKBTSA-N 429.328 6.015 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(C)cc3)n2)c(OC)c1OC 1872787892 AQUGKRZSSARKRH-CKDFRHGISA-N 434.517 5.034 30 10 IKEE CC[C@H](C)OC(=O)c1ccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)cc2)cc1 1872869885 YEPGYYMCERUFPF-SFHVURJKSA-N 428.488 5.345 30 10 IKEE CCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1c(Cl)cccc1Cl 1874295402 ZTXLTFYGYCKCJR-SRZZPIQSSA-N 436.324 5.078 30 10 IKEE Cc1ccc(/C=N/n2c(CCc3cccs3)nnc2SCc2ccccc2C)cc1 1874368469 BQFLENMJDOLUGT-PCLIKHOPSA-N 432.618 5.916 30 10 IKEE Cc1ccccc1/C=N/n1c(Cc2ccccc2F)nnc1SCc1ccccc1F 1874375619 FPWKOQIUEHZORE-JFLMPSFJSA-N 434.515 5.630 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1cccs1 1874379055 YWFMGRKZBBHXHM-ZMOGYAJESA-N 442.972 5.897 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccccc2F)cc1 1874387783 FHTXACDIAJFXLN-JFLMPSFJSA-N 434.515 5.630 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2ccc(F)cc2)nnc1[C@H](C)c1ccccc1 1874394616 QXTVKAAIMZODHU-AXNZHVIBSA-N 446.551 5.752 30 10 IKEE CCSc1nnc(-c2ccccc2)n1/N=C/c1ccc(OCc2ccc(C)cc2)cc1 1874427340 DRSFQRLQUHFKQW-YZSQISJMSA-N 428.561 5.827 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(F)cc2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874437340 WDJGLWDSGNVPDE-YDZHTSKRSA-N 427.505 5.089 30 10 IKEE C=CCSc1nnc(C(F)(F)F)n1/N=C/c1ccc(OCCCC)c(OCC)c1 1874461720 CFCPDSSRUPPQIH-YDZHTSKRSA-N 428.480 5.035 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C(F)(F)F)cc1 1874462972 NHKCDPBPKFTUFA-PGGKNCGUSA-N 445.297 6.087 30 10 IKEE CCCCc1nnc(SCC)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874476985 CSAJQDWZCNLKDW-BUVRLJJBSA-N 428.989 5.847 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C(C)(C)C)cc1 1874484145 HLEQWJKCLHVROB-MFKUBSTISA-N 443.016 6.192 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2ccccc2Cl)c1 1874494303 VHGUHNFRWRTWFC-ZMOGYAJESA-N 439.972 5.120 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1c(OCc2cc(C)ccc2C)ccc2ccccc12 1874581277 FJYWOSBSNMMSTN-BUHFOSPRSA-N 436.551 7.249 30 10 IKEE C=C(C)COc1c(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(Br)cc1OC 1874583064 VEAHMSNHJGWEJK-GQCTYLIASA-N 431.282 5.037 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cccc(OCC(=O)Nc3c(C)cccc3C)c2)c(C)c1 1874600032 PEIYBVNLSNIUED-OUKQBFOZSA-N 427.544 6.142 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OCc1nc(O)c2ccccc2n1 1874612653 GFEPFAFFFIYQIF-UXBLZVDNSA-N 448.425 5.097 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OCc1nc(O)c2ccccc2n1 1874614107 FHBAOTHSTUKVRQ-VAWYXSNFSA-N 446.890 5.473 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc([N+](=O)[O-])c1OCc1ccc(F)cc1 1874618108 KOPJSJZJZGBSAK-FMIVXFBMSA-N 449.478 6.225 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OCC(=O)N[C@@H](C)c1ccccc1 1874625621 NSNRATHNENXMEY-POUQMFDLSA-N 447.506 5.377 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OCCc1ccccc1 1874634112 LUDCMFCBUGKHSH-ZHACJKMWSA-N 434.963 6.791 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)cc2)cc1 1875112884 RVVBAZSLKDMNCB-QDLAKIPFSA-N 432.903 5.954 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OC(=O)c1ccccc1Cl 1875127150 QMLLZZHANLWYFF-OUKQBFOZSA-N 441.310 6.507 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3ccccc3)c(Cl)c2)cc1 1875133183 IRNJZLKEQMAVRV-RVDMUPIBSA-N 434.919 6.309 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1[N+](=O)[O-] 1875143060 HGSZLXGJNPRQOB-ZRDIBKRKSA-N 425.481 5.684 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc2c(c1)OCO2 1875158628 FXPDWGTZTONQPR-XCVCLJGOSA-N 434.419 5.068 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1ccc(OC)cc1 1875163890 ISWVRAXZSWSBDD-UUILKARUSA-N 438.426 5.487 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1C 1875168684 PNAYCQBAYBCEKL-JXMROGBWSA-N 442.599 6.938 30 10 IKEE N#C[C@]1([C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C[C@H]2CC[C@H]1O2 1875689763 LMGPPJOLCFWZEI-NHMNHLDDSA-N 441.527 5.339 30 10 IKEE COc1ccc2cc(C(=O)N3CC=C(c4cncc(C#N)c4)CC3)c3ccc(OC)cc3c2c1 1891372982 OVHLQKBYIDNSHD-UHFFFAOYSA-N 449.510 5.206 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C=CC(=O)c2ccc(Br)c(F)c2F)cc1 1911913389 ICYJQOAUIHZFBS-UHFFFAOYSA-N 438.268 5.970 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1922092776 WGFFHKYTVHPVGM-NGSHPTGOSA-N 442.644 5.553 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@]12CCCC[C@H]1CN(C(=O)OC(C)(C)C)C2 1922094882 OXSVAVYFMXVKAP-JCYRPKCISA-N 428.617 5.165 30 10 IKEE CC(C)N(C(=O)OC(C)(C)C)[C@H](C#N)c1scc(Br)c1Br 1930758775 OIELKNUMUGOTTC-SNVBAGLBSA-N 438.185 5.483 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 1943912689 PAESFOTUNCFPCT-JPYJTQIMSA-N 433.524 5.297 30 10 IKEE CCC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(C)c1 1945774756 WROCWUZUIVUKTE-ICSRJNTNSA-N 431.577 5.570 30 10 IKEE CCCCCCC[C@@H]1[C@H](C(=O)O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21 1952782852 XGMNKVMTAVWSNR-ILBGXUMGSA-N 435.564 6.071 30 10 IKEE CC(C)(C)OC(=O)NCCC1CC(C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C1 1983300052 IVVPUAJTZFBWMN-UHFFFAOYSA-N 435.590 5.072 30 10 IKEE C=CC1(CC(=O)CC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)CCC1 2002635274 XKMQHRVVTAVWSI-UHFFFAOYSA-N 426.601 5.252 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)C1CCC(F)(CNC(=O)OC(C)(C)C)CC1 2008941402 APZCHXHJRMHYKW-YGWFNULRSA-N 434.596 5.161 30 10 IKEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2020783997 DGFTZBQIENDWSM-SJORKVTESA-N 443.535 5.093 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)c(Br)c1)NC 2047971553 UXONSTFNLNSGKR-SJORKVTESA-N 431.802 5.093 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1cccc(OCCNC(=O)OC(C)(C)C)c1 2063597167 SKVCVUNZMAIJJK-DEOSSOPVSA-N 440.584 5.014 30 10 IKEE Fc1ccc(C(F)(F)F)cc1Cn1nc(Cl)c(Br)c1C(F)(F)F 2079214451 GPEJUGSMPRDYHP-UHFFFAOYSA-N 425.529 5.524 30 10 IKEE COc1ccc([C@@H](C2CCC2)n2nc(C3CCC3)c(C=NO)c2Br)c(C)c1 2079895619 WILLLKWAWBXFTG-HXUWFJFHSA-N 432.362 5.428 30 10 IKEE CCCOc1ccc([C@H](C(C)C)n2nc(C3(C)CC3)c(C=NO)c2Br)cc1 2080071542 KICLBMGVKKAEHR-SFHVURJKSA-N 434.378 5.539 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(C)sc(C)c1Br 2089289209 NZFDXBFVZNGPKS-MAUKXSAKSA-N 443.451 5.475 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)[C@@H]1[C@H]2CCC(F)(F)[C@H]21 2119358275 GMWIFQPVNCMAGA-BQDHKBFISA-N 427.289 5.374 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCCC)c2scc(Br)c2C)C1 2126637152 ZJXRGXLKPNXDTK-QGZVFWFLSA-N 443.451 5.721 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCOCC12CCCC2 2149664830 BDTOBCHOLZZQBY-NRFANRHFSA-N 435.362 5.434 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1c1ccc(Nc2ccc(Br)cc2C#N)cc1 2162388592 ZXJAVTMHVWQLTJ-HKUYNNGSSA-N 428.330 5.445 30 10 IKEE CC1(C)C[C@@H](Nc2cc(Br)c(C#N)cc2F)CCN(C(=O)OC(C)(C)C)C1 2162390557 XMIFQOPZGFVCEK-AWEZNQCLSA-N 440.357 5.297 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(F)cc(C(=O)Nc2cc(Br)ccc2C#N)c1 2181153454 FOSOSPWIUUAPEL-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE CCCCCCCCN(C)[C@H](CN)c1scc(Br)c1Br 2196742352 WTILOTDQMWPIKS-CYBMUJFWSA-N 426.262 5.565 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)C1(C#N)CC2(CC3(CCC3)C2)C1 2204090132 OPVAQWCKOFTHBJ-UHFFFAOYSA-N 431.374 6.197 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 2208966787 OPNCXKFAKRIARK-MHPIHPPYSA-N 443.588 5.351 30 10 IKEE C=C(Cl)C[C@@H](NCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2221683230 WKYNWRLEFZHQGI-SJORKVTESA-N 431.802 5.006 30 10 IKEE CCCN[C@@H](C#CP(C)(C)=O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2225396457 IYQDPIKAUUUMMV-INIZCTEOSA-N 443.322 5.420 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)cc(F)cc1Br 2233953733 CXGVIXAETULRLN-AEFFLSMTSA-N 447.364 5.628 30 10 IKEE C=CCCCCC[C@H](NC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237415608 ZPIOJWAAOLGKHA-VQTJNVASSA-N 439.438 5.609 30 10 IKEE CN[C@@H](C#Cc1ccc(C)cc1)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2239636845 VQEOZZYLWDKILB-IBGZPJMESA-N 429.358 5.417 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 2252599666 CKJWALDYJYLAKT-QRWLVFNGSA-N 449.514 5.104 30 10 IKEE C=CCCC1(C(=O)Nc2cccc(Br)c2Cl)CN(C(=O)OC(C)(C)C)C1 2266281895 RDWGEYSWPBJWPH-UHFFFAOYSA-N 443.769 5.244 30 10 IKEE C=CC[C@]1(COc2cc(Br)ccc2N)CCCCN1C(=O)OC(C)(C)C 2272093853 WTEODHQKQLRJCM-HXUWFJFHSA-N 425.367 5.146 30 10 IKEE CN1C(=O)C(=Cc2ccc(OCc3ccccc3C#N)cc2)SC1=Nc1ccccc1 2293716028 DVEURUIBUFCIJC-UHFFFAOYSA-N 425.513 5.371 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)CCN(CCC)C(=O)OC(C)(C)C 2296309157 RDAVHRODCTYHFC-FQEVSTJZSA-N 437.422 5.206 30 10 IKEE O=C1C(=CC=CC=c2c3cccc4cccc(c43)n2Cc2ccccc2)C(=O)c2ccccc21 2297612606 RRHDPPACGPNJNB-UHFFFAOYSA-N 439.514 5.904 30 10 IKEE CC(=NNc1nc(-c2ccc(CC(=O)O)cc2)cs1)c1ccc2oc3ccccc3c2c1 2297660520 JKEMEFFSCCJVHZ-UHFFFAOYSA-N 441.512 6.173 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCC2)[C@@H]1C(F)(F)F 2303930733 MMEBABSCUATVEV-FOIQADDNSA-N 447.498 5.000 30 10 IKEE O=C1NC(=Nc2cccc(Cl)c2Cl)SC1=Cc1cc(Cl)cc([N+](=O)[O-])c1O 2313541643 RYFUTQRQGGMDHC-UHFFFAOYSA-N 444.683 5.152 30 10 IKEE O=C1C(=Cc2cccc(F)c2)Oc2cc(OCc3ccc(Br)cc3)ccc21 2314437335 JQXRVZXLATVIRX-UHFFFAOYSA-N 425.253 5.783 30 10 IKEE O=C1C(=Cc2ccccc2Br)Oc2cc(OCc3ccccc3Cl)ccc21 2314437830 XNQCZNHEHRXBSP-UHFFFAOYSA-N 441.708 6.298 30 10 IKEE COC1(C#C[C@@H](N)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCC1 2315826585 DNIDLCBCSPDRCY-RUZDIDTESA-N 427.544 5.417 30 10 IKEE CC(C)(C)OC(=O)NC1([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)CCCCC1 2318920306 IBUXVWYDLZDJTC-LJQANCHMSA-N 447.551 5.687 30 10 IKEE Cc1scc(C(=O)N(Cc2ccccc2)C2CCCCC2)c1B1OC(C)(C)C(C)(C)O1 2320446289 PAUZFFBKRHASMZ-UHFFFAOYSA-N 439.430 5.331 30 10 IKEE Cc1nnc(SCc2cccc(Cl)c2)n1N=Cc1cc(Br)ccc1F 2321183907 CTCDREYIHJHSRR-UHFFFAOYSA-N 439.741 5.316 30 10 IKEE CCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccc(F)cc1 2321395737 MFJSHFVMVLQDFK-UHFFFAOYSA-N 446.979 5.693 30 10 IKEE Cc1cc(OCc2c(Cl)cccc2Cl)cc2c1C(=O)C(=Cc1ccc(Cl)cc1)O2 2321774187 YJIMGANZOQQXET-UHFFFAOYSA-N 445.729 7.150 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1cccc2[nH]ccc12 2321796561 RIEVMDBJGVZATG-UHFFFAOYSA-N 427.936 5.679 30 10 IKEE Cc1cc(C)cc(OCCN2COc3ccc4c(c3C2)OC(=Cc2ccccc2F)C4=O)c1 2322193130 HQLXCUYBYAEGNJ-UHFFFAOYSA-N 445.490 5.290 30 10 IKEE COc1ccc([C@@H](C)N2COc3ccc4c(c3C2)OC(=Cc2ccc(Cl)cc2)C4=O)cc1 2322238817 WHDCICVQMSFJTP-MRXNPFEDSA-N 447.918 5.878 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)NC2CCCCC2)c1 2322371986 UGKNFWDXQKPCIM-UHFFFAOYSA-N 427.928 5.072 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCc2cccc(F)c2)cc1C 2322415728 JDDLDZMURODZME-UHFFFAOYSA-N 440.898 6.280 30 10 IKEE COc1ccc([C@H](C)N2COc3c(cc4c(c3C)OC(=Cc3ccc(C)o3)C4=O)C2)cc1 2322437882 UWMLDNLWGBZHOL-KRWDZBQOSA-N 431.488 5.434 30 10 IKEE O=C(C=Cc1cc(Br)ccc1OCc1ccccc1)c1ccc(Cl)cc1 2322528351 DGRIIVOXUDOISH-UHFFFAOYSA-N 427.725 6.578 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(Cl)cc2)c1OCc1cc(C)ccc1C 2322528662 VAKVYMJBWIMMAD-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE Cc1cc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2nccs2)ccc1F 2322634820 RDCZYAKWQFKBOS-UHFFFAOYSA-N 430.888 5.158 30 10 IKEE Cc1cc(OC(=O)c2ccco2)cc2c1C(=O)C(=Cc1cccc(Br)c1)O2 2322657658 FZDRIBUYJLEKPU-UHFFFAOYSA-N 425.234 5.186 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C)cc2)C3=O)c1 2322799303 UHYLSXLDDVLXMB-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccccc2C)c(C)c1C 2322815544 KTYDAPQMCFVTMV-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE COc1cccc2cc(C(=O)Oc3cc(C)c4c(c3)OC(=Cc3ccccc3C)C4=O)oc12 2322860529 IKFLAAADPYRXNN-UHFFFAOYSA-N 440.451 5.894 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2cccc(OCc3c(Cl)cccc3Cl)c2)cc1 2323193892 MYUCJIPWNLZOIA-UHFFFAOYSA-N 439.382 7.766 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc(C)cc3)c([N+](=O)[O-])c2)cc1OC 2323445764 MUPWBWGMYCCAHU-UHFFFAOYSA-N 433.460 5.396 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4ccc5nc(C)c(C)nc5c4)ccc3C2=O)cc1 2323554774 CQOXUGFCHGEPSI-UHFFFAOYSA-N 436.467 5.390 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)cc1C 2323561086 VRAFESXXKPHKNB-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(Cl)c(OCC)c(OC)c2)cc1OCCC 2323744304 QERNIWIMSHFKIA-UHFFFAOYSA-N 432.944 6.221 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1 2323813062 UNZMMRYQUKIZNA-UHFFFAOYSA-N 435.907 5.652 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OCC(=O)Nc3nccs3)c(Cl)c2)c1 2323943769 GGKQPHOGESZUQL-UHFFFAOYSA-N 426.925 5.327 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc(O[C@H](C)C(=O)Nc3ccc(F)cc3)c2C)C1=O 2324319853 NWPNUXIQIVQZFF-MRXNPFEDSA-N 447.462 5.165 30 10 IKEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3c(C)cc(C)cc3C)cc2OC)o1 2324567856 UTYCTBCOENUFOY-UHFFFAOYSA-N 434.488 5.475 30 10 IKEE O=C1C(=Cc2ccccc2Cl)Oc2cc(OCCOc3cccc4ccccc34)ccc21 2324693692 HGNKSGDRVHMXII-UHFFFAOYSA-N 442.898 6.567 30 10 IKEE N#C[C@@H](C(=O)C=Cc1ccc(F)cc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2324697277 SHIWMBRUYALDBS-QHCPKHFHSA-N 440.499 6.631 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OCc4ccc(C#N)cc4)cc(C)c3C2=O)cc1 2324762392 ALMHPVFKBGMFEC-UHFFFAOYSA-N 438.527 5.908 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3cc(OCC(=O)C(C)(C)C)cc(C)c3C1=O)cn2C 2324919115 FWJBQWILIFSKBP-UHFFFAOYSA-N 433.504 5.106 30 10 IKEE CCCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1N=Cc1cccc(Cl)c1 2325513638 UXLHFRNLYLLRED-UHFFFAOYSA-N 446.960 5.218 30 10 IKEE Cc1c(OCC(=O)NCc2ccco2)ccc2c1OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2325565306 RGTDYUJZFIKKSY-UHFFFAOYSA-N 445.515 5.197 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC(=O)C3CCC(CCCC)CC3)c2)cc1 2325712475 QYVKEBFYWVPSOO-UHFFFAOYSA-N 446.631 7.827 30 10 IKEE Cc1cccc(COc2ccc3c(c2)OC(=Cc2cc(Cl)cc4c2OCOC4)C3=O)c1 2325720434 RUTAEFIPVYQFPB-UHFFFAOYSA-N 434.875 5.710 30 10 IKEE Cc1cccc(COc2cc(C)c3c(c2)OC(=Cc2ccc(Br)cc2)C3=O)c1 2325720676 MTXHMCPUSDUJLP-UHFFFAOYSA-N 435.317 6.261 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(F)cc2)ccc2c1OC(=Cc1ccc(C(C)C)cc1)C2=O 2325728317 BXBZGUGXPQPDJW-UHFFFAOYSA-N 445.490 5.891 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OC(=O)CSc1ccccc1 2325735703 HLUCPJUAAJDAHQ-UHFFFAOYSA-N 432.541 5.906 30 10 IKEE O=C(Cc1ccccc1Cl)Oc1cccc(C=CC(=O)c2cccc3ccccc23)c1 2325749779 JOZQVYSHKJAXRG-UHFFFAOYSA-N 426.899 6.537 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1OC(=O)c1cccs1 2325772932 UHRQRACLINWBBM-UHFFFAOYSA-N 433.312 6.179 30 10 IKEE CCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccccc1OCc1ccccc1 2326296329 DVWQNOMBKLZRPA-UHFFFAOYSA-N 442.588 5.902 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1ccc(OC(C)=O)cc1 2326458269 HUQIYWVPVBFKKY-UHFFFAOYSA-N 436.581 5.337 30 10 IKEE CCSc1nnc(Cc2ccc(OC)c(OC)c2)n1N=Cc1cccc2ccccc12 2326740252 VLLVKPHCTASLQO-UHFFFAOYSA-N 432.549 5.034 30 10 IKEE CCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccc(C(F)(F)F)cc1 2327264089 PRTUFIUFDFRSBY-UHFFFAOYSA-N 448.514 5.795 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(COc2ccccc2Cl)nnc1SC 2327601286 GKMAEUHGHZSDDD-UHFFFAOYSA-N 438.940 5.276 30 10 IKEE CCSc1nnc(COc2ccccc2Cl)n1N=Cc1c(F)cccc1Cl 2327638488 RABAHUAXKVIYOG-UHFFFAOYSA-N 425.316 5.297 30 10 IKEE CCCCC1CCC(c2nnc(SCCCO)n2N=Cc2ccccc2OC)CC1 2328191989 GPKADSSKXGTVHO-UHFFFAOYSA-N 430.618 5.107 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1cccc(O)c1 2329077013 FFOFMJBZOPEFOV-UHFFFAOYSA-N 448.979 5.711 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc(O)cc1 2329077750 KGMRWKVFUKGDRX-UHFFFAOYSA-N 448.979 5.711 30 10 IKEE CC(C)COC(=O)CSc1nnc(-c2ccccc2)n1N=Cc1ccc(C(C)C)cc1 2330692626 UYTKTNPIAWDLBB-UHFFFAOYSA-N 436.581 5.242 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2)ccc1OC(=O)CC1CCCCC1 2330874438 QVSOKSPBSYPCMA-UHFFFAOYSA-N 436.548 6.174 30 10 IKEE Cc1cccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2[C@@H]2CCCO2)c1 2331004175 SDAXECGHWYORTE-IBGZPJMESA-N 447.391 5.919 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1 2331084525 WJJQYTABDHHSGJ-UHFFFAOYSA-N 426.846 6.053 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)c1cncc(C)c1 2331142492 DXMXXIZDPHVNSE-UHFFFAOYSA-N 437.879 5.176 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OC(=O)c1ccc(C(C)(C)C)cc1 2331159287 FPWVJKXUANODFE-UHFFFAOYSA-N 448.946 6.761 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OC(=O)[C@H](C)c1ccccc1 2331174183 IQEFSOZWTJLOKZ-GOSISDBHSA-N 434.919 6.344 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3cccc(C)c3C)c(Cl)c2)c(C)c1 2331222362 KRMJJYASVGYRFJ-UHFFFAOYSA-N 448.946 6.454 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Br)c1OC(=O)C1CC1 2331229882 BGBLBODNUBEPFB-UHFFFAOYSA-N 429.310 5.286 30 10 IKEE O=C(Cc1ccc(Cl)cc1)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1 2331396850 ILBDTZQXZKVIKH-UHFFFAOYSA-N 434.875 5.155 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2ccccc2C)cc1 2331635387 VRSOJBFYSPTCPR-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc1OC 2331753771 VQSBKCLBLISMNK-UHFFFAOYSA-N 437.319 5.921 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(C=CC(=O)c3c(C)cc(C)cc3C)cc2[N+](=O)[O-])c1 2331769709 DASASWZEUDYWRV-UHFFFAOYSA-N 443.499 6.252 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc(Cl)c1OC(C)=O 2331802490 BPNDXQMGGVHWLG-UHFFFAOYSA-N 429.683 5.485 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CSc3ccccc3)cc2)cc1Cl 2331818715 AOZXVWATZYEWEF-UHFFFAOYSA-N 438.932 5.942 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3cccc(F)c3)c(Cl)c2)cc1C 2331841071 HPJJBFDUBLPTOP-UHFFFAOYSA-N 438.882 6.220 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)c(OC)cc2C)cc(Cl)c1OC(=O)CC(C)C 2331851148 OBWWDWRZWFMKGH-UHFFFAOYSA-N 444.955 6.212 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3C)cc2)c(OC)c1OC 2331885374 TUXMHMKWKGQPMJ-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE CC(C)c1ccc(-n2nnc(C#N)c2NC(=O)C=Cc2ccc(Cl)c(Cl)c2)cc1 2332188527 NUOPGVOXECDMOB-UHFFFAOYSA-N 426.307 5.221 30 10 IKEE CN[C@H](C#CC1(SC)CCC1)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2336236850 ZXWIWWXNSHRWNB-MRXNPFEDSA-N 439.419 5.346 30 10 IKEE CCCCCCCCC(=O)c1c(Cl)cc(Br)c(F)c1Br 2362308794 YXROKIQXFQJCRY-UHFFFAOYSA-N 428.567 6.937 30 10 IKEE CC1(C)OB(C=Cc2ccc(N[C@@H]3C[C@@H]4C[C@H](OCc5ccccc5)C[C@@H]43)nc2)OC1(C)C 2365054664 XFXYPNYSXUYUEV-NEWJYFPISA-N 446.400 5.522 30 10 IKEE C=CCCCCCCCC[C@@H](NC)c1sc(Cl)cc1I 2366648152 OFQYRFUZNDEZKT-CQSZACIVSA-N 425.807 6.573 30 10 IKEE CC(C)(C)/N=C1\[C@@H](N2CCCCC2)C(C)(C)C(=S)N1c1cccc(C(F)(F)F)c1 15861675 XQBATRZSDFTKDC-SJOXAGSUSA-N 425.564 5.931 30 10 IKEE COc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(C(C)(C)C)cc2)C3)c(OC)c1 21225038 PIRVCFPFUIIGBX-DYESRHJHSA-N 433.548 5.006 30 10 IKEE COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccn2)cc1OC 21227122 SPZZTHZIDBHMTH-QLXKLKPCSA-N 427.504 5.078 30 10 IKEE CCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccc(OC)c2)C3)cc1 21230783 SCLZYVNLKPVKSU-PIIWDFAUSA-N 440.543 6.073 30 10 IKEE CC(=O)Oc1ccc(-c2ccc(/C=N/c3ccccc3-c3nc4ccccc4[nH]3)cc2)cc1 27468543 VNEQIEFICHLZCU-RDRPBHBLSA-N 431.495 6.573 30 10 IKEE CCCn1cc(CN/C(=N/C(=O)c2ccc(C)c(F)c2)Nc2cccc(C)c2C)c(C)n1 32973028 CPRGDGIXYFESAS-UHFFFAOYSA-N 435.547 5.064 30 10 IKEE O=C(/C=C\c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)c1ccccc1 33246178 YGDXBCKMROYHHD-VXYAKFJXSA-N 428.535 6.938 30 10 IKEE O=C1NC(=N/c2cccc(O)c2)/C(=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)S1 35485246 LFTPZRVQIDOIPI-ZDLGFXPLSA-N 431.300 6.487 30 10 IKEE O=C1NC(=N/c2ccc(Cl)cc2)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1 35517915 GESMHWXARUFKSV-WQRHYEAKSA-N 425.853 6.036 30 10 IKEE COc1cc(OC)cc(-c2nnc(SCc3cccc(C#N)c3)n2-c2ccccc2C)c1 35847704 VFZWSBDYLTZCEK-UHFFFAOYSA-N 442.544 5.424 30 10 IKEE Cc1c(OCc2ccc([N+](=O)[O-])cc2)ccc2c1O/C(=C\c1cn(C)c3ccccc13)C2=O 41501527 SCSHYSCUEMMPAL-CFRMEGHHSA-N 440.455 5.590 30 10 IKEE O=C1/C(=N/Nc2ccc(Br)cc2)c2ccccc2N1C/C=C/c1ccccc1 59152526 ISWZINMHQBIZFB-RNRDMDPUSA-N 432.321 5.325 30 10 IKEE COc1ccc2ccccc2c1/C=N/c1ccc2nc(SCc3ccccc3)sc2c1 59387238 ACBXJOOQWJHTOW-JVWAILMASA-N 440.593 7.501 30 10 IKEE CC[C@@H](C)Oc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(C(C)(C)C)cc2)C3)cc1 59530921 IMQMAGOPMLRRKF-MEKIYTOJSA-N 445.603 6.166 30 10 IKEE CCc1ccc([C@H]2C3=C(CCCC3=O)Nc3c(C(=O)Nc4ccc(Cl)cc4)cnn32)cc1 64874159 DTDXSJZCBRQEGY-QHCPKHFHSA-N 446.938 5.373 30 10 IKEE Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=C\C(=O)c1ccc(N2CCOCC2)cc1 96767065 XKRCRGNKNGLQLI-KTKRTIGZSA-N 442.346 5.220 30 10 IKEE C/C(=N\OCc1ccc(C)cc1)c1cc(-c2ccc(F)cc2)n(-c2cccc(C)c2)c1C 97629497 LTXABRYQWSVRFB-MWAVMZGNSA-N 426.535 7.149 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)CNc1cccc(O[C@@H](C)CC)c1 100092972 CEHJFBISWWUMSV-VWLOTQADSA-N 446.720 7.873 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2cccc(C(=O)NCc3ccco3)c2)cc1 100295911 HRYCPBBAKKSJOK-UHFFFAOYSA-N 434.536 5.811 30 10 IKEE O=C1/C(=C/c2cccc(Br)c2)S/C(=N/c2ccccn2)N1c1ccccc1 101097078 FKETUZOXUNYQAB-FGJAPUQFSA-N 436.334 5.653 30 10 IKEE CCN1C(=O)/C(=C(\C)c2ccc(Br)cc2)S/C1=N/c1cccc(C(=O)O)c1 101132724 NOKOBAAQCDOIFR-RORPNGENSA-N 445.338 5.161 30 10 IKEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccccc2)cc1 102509226 CULBWZKLZZUWJE-VFJWVMJUSA-N 440.524 5.539 30 10 IKEE COc1ccc(/C(C)=N\n2c(-c3ccc(F)cc3)cs/c2=N\C2CCCCC2)c(O)c1 105811494 ZLKUZECIAXJDNY-XMZHPMMXSA-N 439.556 5.576 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2cccc(C)c2)c1 169930432 VAYBNZHKBNXVRC-XMMPIXPASA-N 438.483 5.268 30 10 IKEE CCOc1cc([C@@H]2NC(=S)N(C)C(C)=C2C(C)=O)ccc1OCc1ccc(Cl)cc1 169937028 JQZXKBHACXOKJW-QFIPXVFZSA-N 444.984 5.042 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(O)cc1)c1cc2ccccc2o1 169964467 XNLOCDFABKHIDE-HSZRJFAPSA-N 443.430 5.056 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1cccs1)c1c[nH]c2ccccc12 169985633 PAAJDTQFBSCGBQ-FQEVSTJZSA-N 434.904 5.666 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccncc2)cc1 170016451 AWBWZYPKTQFVOL-XMMPIXPASA-N 426.516 5.550 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccncc2)cc1C 170026058 KDWXVGICUCGURA-NRFANRHFSA-N 441.512 5.091 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1cccc(OC)c1 170120994 HIGFTMLKYBNIRM-HSZRJFAPSA-N 437.536 5.251 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(OC(C)C)c1 170153132 RMDRWISOYLYBRK-OAQYLSRUSA-N 427.928 5.506 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2cccs2)cc1C 170158939 BJVPTXRSUNDYEV-QHCPKHFHSA-N 447.556 5.855 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccs2)cc1C(C)C 170162462 NSFVCYMJJWOPEC-OAQYLSRUSA-N 437.517 5.252 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccnc2)cc1 170197120 NCNTXYQTBWBOMF-HSZRJFAPSA-N 434.536 5.172 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccncc2)ccc1OC(C)C 170209473 BQUKEGZCNAEFAK-HSZRJFAPSA-N 434.536 5.088 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccccc2)cc1C 170225189 YIMQDEUQGUEKKU-SANMLTNESA-N 433.507 6.240 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccccc1)c1cccc2ccccc12 170226852 HYSOVESAGJXZAW-XMMPIXPASA-N 439.898 6.276 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2)cc1C(C)(C)C 170233834 XAILCBHWSRYFDC-HSZRJFAPSA-N 433.548 5.514 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2F)cc1 170248221 BYLVCJLCYKOZGU-JOCHJYFZSA-N 435.426 5.146 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccco2)ccc1Cl 170282243 AKGYYSPNQKBTIW-FQEVSTJZSA-N 441.842 5.254 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2Cc2ccccn2)o1 170307327 RIHNNZXZPAOPAS-IBGZPJMESA-N 443.286 5.068 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1sccc1C 170319794 WTWNPZYHRLICKK-GOSISDBHSA-N 445.968 5.548 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(Cl)cc(Cl)c2)[C@H]1c1cccc(O)c1)c1cccs1 170386213 YKPLEYMVXVQPQW-SFHVURJKSA-N 446.311 5.543 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 240705836 ALGUEXIZZVTELZ-UHFFFAOYSA-N 430.392 6.814 30 10 IKEE COC(=O)[C@]12CCC(C)(C)C[C@@H]1C1=CC[C@@H]3[C@]4(C)CC/C(=N\O)[C@@H]4CC[C@]3(C)[C@@]1(C)CC2 504596336 UKXCLLYLCRBBDH-FKRDWVIPSA-N 441.656 6.765 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(O)cc2)cc1 526486947 RTURMLWZXSKVPF-DEOSSOPVSA-N 426.472 5.110 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2c[nH]c3ccccc23)c1 526487054 UDCLXMWOCDKCHX-AREMUKBSSA-N 449.510 5.886 30 10 IKEE CC(C)COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccncc2)cc1 526488885 RKWQDTGPUIQIRG-XMMPIXPASA-N 425.488 5.045 30 10 IKEE COc1cc(/C=N\n2c(C)nnc2SCc2ccc(C)cc2C)cc(Cl)c1OC 526810925 TXWHISDKTMHFSZ-KSEXSDGBSA-N 430.961 5.048 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1ccccc1C(F)(F)F 526811141 CERRJDYSMOBOGF-ZMFRSBBQSA-N 432.515 6.041 30 10 IKEE CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@H](C(=O)/C=C/c5ccccc5)[C@@]4(C)CC[C@H]32)C1 642772535 FPGBQRAYOLMBRS-PETWQWTJSA-N 446.631 6.780 30 10 IKEE COc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(C)c2)c(Br)c1 698418052 LAUOLQYRICYRAK-LJQANCHMSA-N 431.330 5.773 30 10 IKEE COc1cc([C@@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)cc(Br)c1O 698426515 RQWVDSAROLZAPC-QGZVFWFLSA-N 447.329 5.165 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@@H]1CCCN1C(=O)OC(C)(C)C 698484032 MSCDRYLLLVBSTC-CYFREDJKSA-N 429.561 5.418 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1c(F)cccc1Br 698490274 IBEHKBDAGWDJBN-MRXNPFEDSA-N 435.293 5.603 30 10 IKEE Cc1ccc(CSc2n[nH]c(NN=Cc3ccccc3OCc3ccccc3)n2)cc1 1083915079 VTTCLQSPHLBYTC-UHFFFAOYSA-N 429.549 5.430 30 10 IKEE CC(C)CCOC(=O)CSc1n[nH]c(NN=Cc2c3ccccc3cc3ccccc23)n1 1083982726 QUQGOCCBAOROGO-UHFFFAOYSA-N 447.564 5.239 30 10 IKEE Clc1ccc(-n2c(-c3ccccc3)cc(C=Nc3cccnc3)c2-c2ccccc2)cc1 1084064597 CMHIMKMKRDCKGG-UHFFFAOYSA-N 433.942 7.610 30 10 IKEE O=C1/C(=C\c2ccccc2)SC(=NN=Cc2cc(Cl)ccc2O)N1Cc1ccco1 1772759050 KIZOGBULFTVMJK-BGRIWHKVSA-N 437.908 5.145 30 10 IKEE N#Cc1cccc(NC(=O)Oc2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1 1858905736 HVDOIMJWYIKRII-UHFFFAOYSA-N 429.520 5.002 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)c1ccc2nc(C)c(C)nc2c1 1861402854 YLXGXVWYXZJOQV-OAQYLSRUSA-N 426.605 5.012 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccccc1F 1861747028 KELGFUMZNJKTRR-VWLOTQADSA-N 440.603 5.353 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccc(O)c(O)c1)c1ccccc1Cl 1862431398 GKGGWNPURACDGB-NRFANRHFSA-N 441.911 5.052 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(C(C)(C)C)cc1 1862435479 XCRSOTMXXDMDRH-YCRPNKLZSA-N 425.956 6.014 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2ccccc2F)cc1 1862474598 PQCLISOGWKXZPA-DEOSSOPVSA-N 429.491 5.345 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(OC)cc1 1862489668 XXICZIRBUWEIEQ-PXDATVDWSA-N 449.591 6.249 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862501403 BQHPDIFQLPYJBP-QHCPKHFHSA-N 437.511 5.444 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccc(O)cc2)ccc1F 1862507496 MQGVYTSXOAGUHK-HSZRJFAPSA-N 435.495 5.309 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1cccc(F)c1 1862529291 DQGDICYBWYDXFG-DEOSSOPVSA-N 437.555 6.327 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)cc1 1862581372 GPTCVBPBMLCRFN-IBGZPJMESA-N 434.319 5.323 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(F)c2)cc1 1862672891 HOZCPOKPCDNBDL-QHCPKHFHSA-N 433.454 5.094 30 10 IKEE O=C(C1=C(O)C(=O)N(C23CC4CC(CC(C4)C2)C3)[C@@H]1c1ccccc1)c1ccc(F)cc1 1862673305 BZKGAAJUJVCTHI-RXCMBHOCSA-N 431.507 5.373 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccc(C)cc2)cc1 1862687421 KPTRUMMDVMAZPB-KOSHJBKYSA-N 427.500 5.343 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862719690 OLAHEAVFHDWICG-DEOSSOPVSA-N 427.544 6.124 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(C(=O)OC)cc1 1862720104 SKHFAEPYVXZGAN-HJPURHCSSA-N 443.499 5.003 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1 1862721041 AQOKBAUQOOLOEH-SANMLTNESA-N 437.539 6.265 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1Cl 1862739360 WVOGUONQWLOULM-FQEVSTJZSA-N 442.899 5.407 30 10 IKEE Cc1ccccc1NC1=C(c2ccc(Cl)c(Cl)c2)C(=O)N(c2cccc(C#N)c2)C1=O 1862911975 AFLSTQVVWSTPGI-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE Cc1ccc(Cl)cc1NC1=C(c2ccccc2F)C(=O)N(c2cccc(C#N)c2)C1=O 1862927547 VFHRODXDAQYTRA-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE N#Cc1cccc(NC2=C(c3cccc4ccccc34)C(=O)N(CCC3=CCCCC3)C2=O)c1 1863226019 PIMUDZQUEARVAI-UHFFFAOYSA-N 447.538 5.794 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc3ccccc3c2)=C(c2cccs2)C1=O 1863473198 JSPQXJYCYYKPNZ-UHFFFAOYSA-N 432.589 6.454 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCN(C)C)=C(c2ccccc2Cl)C1=O 1863777570 INDPWAOFJNGGDK-UHFFFAOYSA-N 448.051 5.102 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccccc2F)=C(c2ccccc2Cl)C1=O 1863778577 RLDXODMWRRRWLA-UHFFFAOYSA-N 442.962 5.709 30 10 IKEE C[C@@H]1c2[nH]cnc2CCN1c1cc(Nc2ccc(C#N)cc2)nc(-c2ccc(Cl)cc2)n1 1868441841 FTUPZCKBPUYVOL-OAHLLOKOSA-N 441.926 5.259 30 10 IKEE CC(C)(C)c1ccc(-c2nc(Nc3cccc(C#N)c3)cc(N3CCC[C@H](CO)C3)n2)cc1 1868538812 VLDKSPYHBLOPLX-FQEVSTJZSA-N 441.579 5.265 30 10 IKEE Cc1ccc(CCn2cc(OCc3ccc(C#N)cc3)c(=O)cc2CSC(C)(C)C)cc1 1870233449 PZTJETYNKRDXBB-UHFFFAOYSA-N 446.616 5.882 30 10 IKEE C=CCOc1cn(Cc2ccncc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870809519 HROLTOSXKPMJJY-UHFFFAOYSA-N 438.531 5.212 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)cc2)c(=O)cc1CNc1ccc(N2CCCC2)cc1 1870861628 MEQMRLPEBGZKHR-UHFFFAOYSA-N 449.982 5.479 30 10 IKEE C#CCOc1cn(CCCCCCCCCC)c(CNc2ccc(C)c(Cl)c2)cc1=O 1871006213 VANWJNQBHQVXQM-UHFFFAOYSA-N 443.031 6.575 30 10 IKEE CC(C)OCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(Cl)c(Cl)c1)C3=O 1871346177 LNWJEVWPNYIYEH-NHDPSOOVSA-N 448.346 5.577 30 10 IKEE CCCCC[C@@H](CC)N1COc2cc(C)c3c(c2C1)O/C(=C\c1sccc1C)C3=O 1871347475 BDZSAAUITLFQCI-LZAZYHHXSA-N 425.594 6.492 30 10 IKEE CCCCC[C@H](CC)N1COc2cc(C)c3c(c2C1)O/C(=C\c1cccc(Cl)c1)C3=O 1871347522 FBRHHIXSYBVDLX-FVHJOOJJSA-N 439.983 6.775 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc(OC(=O)Cc3cccc4ccccc34)c2C)C1=O 1871376618 UJHNSVZYPPUXNX-HAHDFKILSA-N 440.520 6.282 30 10 IKEE O=C1/C(=C/c2ccccc2)Oc2cc(OCC(=O)N(c3ccccc3)c3ccccc3)ccc21 1871417752 ZEJPNCXPGVFEJB-IMRQLAEWSA-N 447.490 6.047 30 10 IKEE Cc1cc(OCC(=O)NCc2ccccc2)cc2c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O2 1871421053 SLCGLSFXERKYPW-QFEZKATASA-N 441.527 5.430 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)N[C@@H](C)c4ccccc4)cc(C)c3C2=O)cc1 1871421373 BMHYKIOITVZTSW-QETRNLNESA-N 441.527 5.430 30 10 IKEE Cc1c(OCC(=O)N[C@H](C)c2ccccc2)ccc2c1O/C(=C\c1ccc(Cl)cc1)C2=O 1871424774 WIIYQZXUEQRJLS-NQRZERFFSA-N 447.918 5.521 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1ccc2c(c1C)O/C(=C\c1ccccc1F)C2=O 1871429048 GJAJBRNWFDOBIQ-BNDVRQRFSA-N 440.511 6.031 30 10 IKEE CCCCCCCCCOc1ccc2c(=O)c(Oc3ccc(C(=O)OC)cc3)coc2c1 1871429488 JGHNHBSMLWPPMY-UHFFFAOYSA-N 438.520 6.501 30 10 IKEE CCCOC(=O)[C@H](CC)Oc1cc(C)c2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O 1871434517 UIHFYROZNUNMFW-HRVJUDJTSA-N 449.330 6.029 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc(C)c(C)c1 1871968998 OUIPGOZXOHYLFL-HSZRJFAPSA-N 446.588 5.063 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 1872244550 GSHNYYBRLDKHPN-JOCHJYFZSA-N 449.016 5.269 30 10 IKEE COc1ccccc1-c1csc([C@H](C#N)C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)n1 1872766075 BPDFUFCLBQSMBN-IUODEOHRSA-N 447.343 5.769 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(Br)c3)n2)cc1 1872768145 KPGABXCDWNQTSX-QGZVFWFLSA-N 427.323 5.461 30 10 IKEE COc1ccc(C)cc1-c1csc([C@@H](C#N)C(=O)CCCOc2c(C)cccc2C)n1 1872770949 IRJMNEXQTIWGSL-FQEVSTJZSA-N 434.561 5.779 30 10 IKEE CCOc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872787263 FPSBKNQBAVPCJA-OAHLLOKOSA-N 447.343 5.771 30 10 IKEE Cc1c(CC(=O)Nc2ccc(C#N)cc2)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 1873866566 BDOCFGQABVTEGI-UHFFFAOYSA-N 434.451 5.568 30 10 IKEE CCCSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1ccc(C)cc1 1874206828 VTIURLPPBRMDBZ-FSJBWODESA-N 435.380 5.857 30 10 IKEE C=C(C)CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccc(Cl)cc1 1874243885 ZBEVLUKSRDAEFD-VULFUBBASA-N 441.044 6.241 30 10 IKEE Clc1ccccc1OCc1nnc(SCc2ccccc2)n1/N=C/c1cccnc1 1874266829 QNOJDRVRSRLFKO-AFUMVMLFSA-N 435.940 5.080 30 10 IKEE Cc1cccc(/C=N/n2c(Cc3cccc4ccccc34)nnc2SCc2ccccc2)c1 1874269648 HPUJMOXNQRWILW-VUTHCHCSSA-N 448.595 6.505 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2ccccc2F)n1/N=C/c1ccncc1 1874300230 CUYOSPFWDFDOGZ-MZJWZYIUSA-N 447.539 5.183 30 10 IKEE CCCSc1nnc(CCc2ccccc2OC)n1/N=C/c1c(F)cccc1Cl 1874313914 UHPQGJZOOKOBBT-ZVHZXABRSA-N 432.952 5.249 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2F)n1/N=C/c1ccc(O)cc1O 1874395866 XIZXCUMXQPNBQM-HEOQCTJZSA-N 448.523 5.155 30 10 IKEE C(=N/n1c(CCc2ccccc2)nnc1SCc1ccccc1)\c1c[nH]c2ccccc12 1874402501 DFZRILGETKQKJA-MTDXEUNCSA-N 437.572 5.719 30 10 IKEE Cc1ccccc1CSc1nnc(CC2CCCCC2)n1/N=C/c1ccc(Cl)cc1 1874406866 YYSGBXJTJXJJGU-WGOQTCKBSA-N 439.028 6.537 30 10 IKEE Clc1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2cccnc2)c(Cl)c1 1874424327 FZKCNIOMLCNUAC-FOKLQQMPSA-N 446.388 5.883 30 10 IKEE CC(C)(C)c1ccc(/C=N/n2c(SCc3ccccc3F)nnc2-c2ccccc2)cc1 1874428586 QEQROXJFRSJSSA-OGLMXYFKSA-N 444.579 6.556 30 10 IKEE Cc1ccc(CSc2nnc(C(F)(F)F)n2/N=C/c2ccc(Cl)cc2Cl)cc1 1874459085 WBOAKRICQHGRAX-PGGKNCGUSA-N 445.297 6.087 30 10 IKEE CCCCc1nnc(SCc2ccc(C(=O)OC)o2)n1/N=C/c1cccc2ccccc12 1874476022 FBNUOOBWUARVBF-MFKUBSTISA-N 448.548 5.328 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1cccc(Cl)c1 1874476642 QFYLFFZKHSPNOG-ZMOGYAJESA-N 445.951 5.026 30 10 IKEE C=C(C)CSc1nnc(CC(C)C)n1/N=C/c1ccc(OCCCC)c(OCC)c1 1874489826 MVOJIZVQCNOTDV-BUVRLJJBSA-N 430.618 5.605 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CCC)nnc1SCc1ccc(Cl)cc1 1874510440 NRQCUPPNKIATAI-BUVRLJJBSA-N 426.973 5.623 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CC)nnc2SCc2ccccc2F)cc1OC 1874526964 QBBVXOBFFJPARO-MFKUBSTISA-N 442.560 5.342 30 10 IKEE CCc1ccccc1NC(=O)COc1ccccc1/C=C/C(=O)c1ccc(OC)c(C)c1C 1874586298 GOFDGEJPXBZEAM-JQIJEIRASA-N 443.543 5.788 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2ccccc2OCc2ccccc2C)cc1Cl 1874590889 XJJBENGKPJOIDE-VAWYXSNFSA-N 427.327 6.786 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCc3c(Cl)cccc3Cl)c2)c(C)c1C 1874598565 SNDWYLWCSFEXJM-ZRDIBKRKSA-N 441.354 7.094 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cccc(OCc2ccccc2Cl)c1 1874600242 BKYOZFQXBCKMPH-ZHACJKMWSA-N 427.327 6.786 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OCc1cccc(F)c1 1874604036 RMCKMLNHEVHGOH-GXDHUFHOSA-N 430.519 6.578 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Cl)c(OCC(=O)NCCC)c(OC)c2)cc1 1874606501 RKORBFJJMYZLJE-JLHYYAGUSA-N 443.971 5.492 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cc(C)ccc3C)c(OC)c2)cc1 1874609704 FOYWXECVTFAMKZ-NTUHNPAUSA-N 445.515 5.234 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 1874611346 IXZCHROCTYFMOL-XYOKQWHBSA-N 441.296 6.072 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OCc1ccccc1Cl 1874615384 VHTHAAAXFDLWPR-ZRDIBKRKSA-N 436.935 6.449 30 10 IKEE Cc1ccc(COc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2Br)cc1 1874624176 PLMJAJYHMPSGLD-RIYZIHGNSA-N 449.388 7.356 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OCc2ccccc2)c(Cl)c1 1874634711 PYTLBGLGOHFVCY-CSKARUKUSA-N 427.327 6.786 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1 1874639041 FKFMZVJZIJGIRC-RUDMXATFSA-N 431.290 6.616 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3cc(Cl)ccc3Cl)c2)cc1 1874702268 WLWSNODGRUDRKA-KPKJPENVSA-N 441.310 6.182 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc2ccccc2c1 1875095375 MRRZAIABYYJWSY-WLRTZDKTSA-N 441.414 6.002 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3ccccc3C)c(OC)c2)cc1 1875099924 FWDBNNQTUKNLJQ-NTCAYCPXSA-N 430.500 5.690 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)C3CCCC3)c(OC)c2)cc1 1875106571 FDTUNFYMHXJFMA-DTQAZKPQSA-N 436.548 6.038 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Br)cc2)cc(OC)c1OC(=O)CC 1875111065 RLYAOUQUDDRERL-KPKJPENVSA-N 429.310 5.398 30 10 IKEE CC(C)CC(=O)Oc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1Br 1875116583 ITEVUTYFPKXTGP-YCRREMRBSA-N 432.270 5.205 30 10 IKEE CCOc1ccc(C(=O)Oc2c(OC)cc(/C=C/C(=O)c3ccccc3)cc2OC)cc1 1875127809 YXOQFLHSJHZUEH-XNTDXEJSSA-N 432.472 5.218 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)c3ccccc3)c(OC)c2)cc1 1875131475 ZTIJGVFJQULQMG-XLCPLWEUSA-N 430.500 5.699 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC(=O)COC 1875132853 RIALPUGUOFLXQM-RMKNXTFCSA-N 435.303 5.178 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1OCC 1875132900 UFQYFERFSYSRPO-RMKNXTFCSA-N 441.738 6.647 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(OC(C)=O)cc1 1875137152 YQLXSQBYWHEACA-VIZOYTHASA-N 444.483 5.434 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3c(F)cccc3Cl)cc2)cc1 1875137494 OZFKINJIZIFDOY-OVCLIPMQSA-N 438.882 6.383 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3)c([N+](=O)[O-])c2)cc1 1875138911 ZITGBBMRONELBX-RIYZIHGNSA-N 445.471 5.428 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OC 1875142581 KDTLBLUWPSOHOK-XYOKQWHBSA-N 434.463 5.196 30 10 IKEE Cc1ccsc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1Cl 1875146904 LLBSVPYJESYJBQ-GORDUTHDSA-N 440.904 5.596 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Br)c1OC(=O)C1CC1 1875176705 MBQKIYPVJUXSIT-UXBLZVDNSA-N 443.337 5.676 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)ccc1OC(=O)c1ccco1 1875180105 LYOWDNWQODSVBR-VQHVLOKHSA-N 440.879 5.764 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)COc2ccccc2)cc1 1875182072 LNPXVULDWVRLSO-JLHYYAGUSA-N 436.891 5.538 30 10 IKEE O=C(NCC#CCN1CCCCCC1)c1cccc(Oc2ccc(C(F)(F)F)cc2)c1 1891044930 FPJWMXXJXQDLEC-UHFFFAOYSA-N 430.470 5.107 30 10 IKEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)Nc1cc(F)cc(C(F)(F)F)c1 1891288688 UYKWTNCLJCCWEU-UHFFFAOYSA-N 434.311 5.067 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CCC[C@@H](C)C1 1922075885 AIVKYBLWHBITCC-SEIBCYHCSA-N 430.633 5.601 30 10 IKEE CC[C@@](C#N)(CCNC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1936966355 VRLLMUNTTKKDPY-QFIPXVFZSA-N 437.968 5.669 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CC(C)(C)CCN1C(=O)OC(C)(C)C 1948801875 XGEQFESPVMRMTO-GOTSBHOMSA-N 430.633 5.553 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)C(C)(C)[C@@H]1CCCN1C(=O)OC(C)(C)C 1950039424 AUNMOLZTNZDQKU-XZOQPEGZSA-N 430.633 5.553 30 10 IKEE N#Cc1ccccc1[C@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 1951682395 YHJVPDCRMMJUOG-DEOSSOPVSA-N 426.472 5.003 30 10 IKEE C#C[C@H](NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)CC)C(C)(C)C 1984778324 FWBLMXJTHMMAQK-AYCKEJKLSA-N 446.591 5.104 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](Cc1cccs1)NC(=O)OC(C)(C)C 2004743769 FMGCZLWWCPBISI-XZOQPEGZSA-N 444.641 5.325 30 10 IKEE CC(C)(C)OC(=O)NC1(CC(=O)C=C2CCCCC2)CCN(Cc2ccccc2)CC1 2007963019 FZNGJZPFOXIXHF-UHFFFAOYSA-N 426.601 5.396 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C)([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C1 2022135700 QXBXQRAWLAPECD-WZONZLPQSA-N 449.979 5.621 30 10 IKEE C=C(CO)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)C(=O)CC[C@@]34C)[C@@H]12 2053578086 ZUBZPUNHXGLZSQ-XVCZCDOQSA-N 440.712 7.205 30 10 IKEE N#Cc1c(C(F)F)nn([C@@H](c2ccc(C3CC3)cc2)C2CC2)c1I 2079094805 WWXLALRNZNKJAY-INIZCTEOSA-N 439.247 5.174 30 10 IKEE CC(C)c1ccc([C@H](C2CCC2)n2nc(C(F)F)c(C=NO)c2Br)cc1 2080004240 XRAKBPFNBLPRLN-KRWDZBQOSA-N 426.305 5.904 30 10 IKEE CCOc1ccc([C@@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C2(C)CC2)cc1 2080103402 ILWDLTFQBMHCET-GOSISDBHSA-N 432.362 5.293 30 10 IKEE C=CCC1([C@@H](Cc2cccc(Br)c2C)NCC)CN(C(=O)OC(C)(C)C)C1 2143726706 VWEKWIQKKYLHIK-LJQANCHMSA-N 437.422 5.091 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](CNc2cc(Br)cc(C#N)c2)[C@@H]2CCCC[C@@H]21 2179393627 SOOUPMIIJIAEKX-SNRMKQJTSA-N 434.378 5.158 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](Cc2cc(Br)ccc2C)NCC)C1 2183006958 UUDZGBAEXYOPCH-IBGZPJMESA-N 437.422 5.139 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)CCC12CC2 2220216002 RISUJMRLOZRJQL-RUZDIDTESA-N 447.620 5.772 30 10 IKEE CCCCC#CC[C@@H](NC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237407611 SKSIFKUSAFOFMT-UXHICEINSA-N 437.422 5.057 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2cccc(Br)c2C#N)C[C@H]2CCCC[C@H]21 2240971720 GGPOQQTXFZSJJL-ZRGWGRIASA-N 434.378 5.301 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1sc(Br)c(C)c1C 2254702520 VVTGVBLNDLDJJF-LSDHHAIUSA-N 429.424 5.085 30 10 IKEE CC(C)(C)C#CC=CC[C@@H](N)c1ccc(Br)cc1I 2268822722 REWIDJLDBDYDKF-OAHLLOKOSA-N 432.143 5.049 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Cl)cc([C@H](O)C#Cc2cccc(Br)c2)c1 2278737958 QFQNQOFZPBKMEO-GOSISDBHSA-N 436.733 5.535 30 10 IKEE CCN(c1c(Br)cccc1C#N)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2285190871 ZDWPXHQOMANMCG-SJPCQFCGSA-N 434.378 5.078 30 10 IKEE C=C(C)CCCC[C@@H](NCC)[C@H](O)c1scc(Br)c1Br 2287393057 VBUOOOWXIJIGCN-OCCSQVGLSA-N 425.230 5.421 30 10 IKEE CCOc1cc(C=C2SC(=Nc3ccc(CC)cc3)NC2=O)c(Br)cc1O 2294017439 PIIJOFBVKLSILU-UHFFFAOYSA-N 447.354 5.007 30 10 IKEE Cc1cc(C)c2nc(N3C(=O)C(=O)C(=C(O)c4ccco4)[C@H]3c3ccccc3F)sc2c1 2296125300 AATNAHBSEMHYAL-HXUWFJFHSA-N 448.475 5.272 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(F)c([C@H](O)C#Cc2cccc(Br)c2)cc1F 2296229334 ITZOAGNHGFCQCA-GOSISDBHSA-N 438.268 5.159 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H](C)CN(CC)C(=O)OC(C)(C)C 2296298857 OJJGAEYIQIOBMC-PXNSSMCTSA-N 437.422 5.062 30 10 IKEE Cc1ccccc1N=C1SC(=Cc2ccc(O)c(O)c2O)C(=O)N1c1ccccc1C 2296851798 GLNJMEZRLIUPJR-UHFFFAOYSA-N 432.501 5.229 30 10 IKEE C[C@@H]1Oc2ccccc2C=C1C=C1Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2C1=O 2296868477 JONRCRQRQIPHPJ-HNNXBMFYSA-N 444.870 5.883 30 10 IKEE Cc1nc2ccc(Br)cc2c(-c2ccccc2)c1C(=O)C=Cc1ccccc1 2297327494 YXBIJBVXZZGCDK-UHFFFAOYSA-N 428.329 6.869 30 10 IKEE COc1cccc(C=NC[C@]2(O)CC[C@@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@@]32C)c1O 2297472087 PFLCXOYUUHWAGR-JQMSHMSBSA-N 439.640 5.984 30 10 IKEE CCCCCCCCOCc1cc(I)ccc1Br 2319163290 RZPOPTDWOXPIHO-UHFFFAOYSA-N 425.148 5.931 30 10 IKEE O=C1C(=Cc2ccccc2OC(F)F)Oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc21 2321851248 LBULEUIFQGZXNC-UHFFFAOYSA-N 439.370 5.391 30 10 IKEE CN(C)c1ccc(C=C2Oc3c(ccc4c3CN(Cc3cccc(Cl)c3)CO4)C2=O)cc1 2322211064 SRVYHBXJTUHBHX-UHFFFAOYSA-N 446.934 5.374 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(Cl)cc(OC)c1OCC(=O)OCC(C)C 2322642131 WQSVCDLHVUPDDP-UHFFFAOYSA-N 446.927 5.140 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1C(C)C 2322792105 WGELFQBIYSPRTJ-UHFFFAOYSA-N 445.515 6.510 30 10 IKEE Cc1cc(OC(=O)c2cc3ccccc3o2)cc2c1C(=O)C(=Cc1ccccc1Cl)O2 2322842598 KQNITOGJHZMCGQ-UHFFFAOYSA-N 430.843 6.230 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4cc5cc(Cl)ccc5o4)cc(C)c3C2=O)o1 2322853612 IDAVXZHOVQXMKU-UHFFFAOYSA-N 434.831 6.131 30 10 IKEE CCCCCCCCCOc1ccc(C=NNc2ccc(OC)c(Cl)c2)cc1OCC 2322926356 JGUZXYRIPOGASC-UHFFFAOYSA-N 447.019 7.323 30 10 IKEE Cc1ccccc1COc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-] 2323352521 IMRHTHZVPBWTST-UHFFFAOYSA-N 449.506 7.045 30 10 IKEE O=C(Cc1ccc(Cl)c(Cl)c1)Oc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O 2323417292 TZVUJGRWGMPHSG-UHFFFAOYSA-N 443.257 5.897 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(CC)cc2)cc(OC)c1OCc1cc(C)ccc1C 2323482737 BDWPXZBACVPDEY-UHFFFAOYSA-N 440.583 7.078 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)c4cc(Cl)ccc4Cl)ccc3C2=O)c1 2323581272 NKLMAIJQUZFMEJ-UHFFFAOYSA-N 425.267 6.137 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)cc([N+](=O)[O-])c1OCc1ccccc1C 2323640936 FAXLGDFOLIQHSQ-UHFFFAOYSA-N 447.487 5.786 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1 2323791328 RHVCJFPAWFZYGG-UHFFFAOYSA-N 434.875 5.883 30 10 IKEE CCCN(CCC)Cc1c(O)cc(C)c2c1OC(=Cc1ccc(Br)cc1)C2=O 2324097281 PGKMNQVFEOGLFU-UHFFFAOYSA-N 444.369 5.701 30 10 IKEE Cc1c(O[C@@H](C)C(=O)OC(C)C)ccc2c1OC(=Cc1ccc(Br)cc1)C2=O 2324305588 MCEHCDHNKSXJLP-AWEZNQCLSA-N 445.309 5.093 30 10 IKEE N#C[C@H](C(=O)C=Cc1ccc(F)cc1)c1nc(-c2cccc(Br)c2)cs1 2324439222 GKXUKMYGTKGTAT-QGZVFWFLSA-N 427.298 5.601 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2sccc2C)C3=O)c(C)c1 2324494969 HNRLJSUYGVVAKI-SFHVURJKSA-N 447.556 6.004 30 10 IKEE Cc1cccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccc(Cl)cc4)ccc3C2=O)c1 2324610132 SZNHXKZXDCJRMP-INIZCTEOSA-N 433.891 5.671 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1C 2324637595 RHDBHRQXCTXSCI-UHFFFAOYSA-N 435.451 5.834 30 10 IKEE CCOc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2F)cc1 2325489141 NADVDUPVLXFDEU-UHFFFAOYSA-N 446.551 5.581 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(O)cc1 2325535375 DAUKBNVMSCOFSR-UHFFFAOYSA-N 435.380 5.808 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(Br)cc1 2325565394 RSRLEQWQIWZMDS-UHFFFAOYSA-N 449.805 5.821 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(C)cc3C)c2)cc1OC 2325736109 VNGPNSVTHKWSRJ-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1OC(=O)c1cccc(F)c1 2325745920 FQIBKKHDJABOII-UHFFFAOYSA-N 432.491 6.247 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1OC(=O)c1ccccc1Cl 2325752952 CSUUFXZQTXCMQD-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE COc1ccc(C(=O)Oc2cc(C=CC(=O)c3cc(C)c(OC)cc3C)ccc2OC)cc1 2325770078 WWWJRORWBBZBDF-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE O=C(C=Cc1cc(Br)c(O)c(Br)c1)c1ccc2c(c1)CCCC2 2325790237 WUXTUYQKDSJDDR-UHFFFAOYSA-N 436.143 5.692 30 10 IKEE CCSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1cc(C)ccc1O 2325883321 GKAWTMIKFDMTGJ-UHFFFAOYSA-N 446.576 5.451 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccc(Cl)cc3)n2N=Cc2ccncc2)cc1 2327509169 MGUTXCJFSZEKEH-UHFFFAOYSA-N 449.967 5.388 30 10 IKEE C=CCOc1ccccc1C=Nn1c(COc2ccc(Cl)cc2)nnc1SCC=C 2327567089 DZITXRCFMLZXTK-UHFFFAOYSA-N 440.956 5.236 30 10 IKEE C=CCSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccccc1OC(C)C 2327974995 HXESBKFAGZOEFE-UHFFFAOYSA-N 441.000 5.664 30 10 IKEE C(=Nn1c(CCCOc2ccccc2)nnc1SCCc1ccccc1)c1ccco1 2328746613 UMZKOBOFSTYUMD-UHFFFAOYSA-N 432.549 5.100 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccccc3Cl)n2N=Cc2cccc(C)c2)cc1 2329523714 HOOOJHPPFZACBA-UHFFFAOYSA-N 432.980 6.390 30 10 IKEE Oc1cccc(C=Nn2c(SCc3ccc(F)cc3)nnc2-c2ccccc2Cl)c1 2329540080 NTXZBSMLLCQGLZ-UHFFFAOYSA-N 438.915 5.618 30 10 IKEE Fc1ccc(Cc2nnc(SCc3cccc4ccccc34)n2N=Cc2ccco2)cc1 2329857781 FKUMQLGHZQHXOK-UHFFFAOYSA-N 442.519 5.929 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2cc(C)ccc2O)cc1 2329992665 QZYMMORXARDHAP-UHFFFAOYSA-N 428.561 5.366 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2cccc(F)c2)n1N=Cc1ccccc1F 2330078435 AZBACLSXAKIYLH-KRWDZBQOSA-N 434.515 5.883 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3)n2N=Cc2cccn2C)c1 2330196911 ZPNLEOCYBGHHQX-UHFFFAOYSA-N 429.593 5.193 30 10 IKEE COc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1cncc(C)c1 2330615923 IEYLFPIBUTXRSP-UHFFFAOYSA-N 449.506 6.181 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccc(C)cc3)nnc2-c2ccccc2)c1OC 2330624949 FHLUIXIEMIERCZ-UHFFFAOYSA-N 444.560 5.445 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)c1cccc(F)c1 2331084089 DDORZVPOJRNOPV-UHFFFAOYSA-N 446.808 5.881 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)[C@@H]1CCCO1 2331128565 MOZVEHCWZAFPCJ-IBGZPJMESA-N 435.303 5.373 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)c1cccc(Cl)c1 2331183473 QJQMKTILQHMCGD-UHFFFAOYSA-N 432.903 6.192 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3Cl)c(Cl)c2)cc1 2331260077 JIUYYGUDXYLODQ-UHFFFAOYSA-N 425.311 6.346 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccc(Cl)cc1 2331429940 XVSJFWDXTGUORQ-UHFFFAOYSA-N 448.946 6.761 30 10 IKEE CCSc1nnc(CC(C)C)n1N=Cc1ccccc1OCc1ccccc1Cl 2331445520 HNOIWXSZDHNADE-UHFFFAOYSA-N 428.989 5.703 30 10 IKEE CC(C)Cc1nnc(SCc2ccccc2Cl)n1N=Cc1cccc([N+](=O)[O-])c1 2331456374 GTKZZSYOSNSONA-UHFFFAOYSA-N 429.933 5.213 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OC(=O)CC(C)C 2331550119 UIFTYRXDGCVTRI-UHFFFAOYSA-N 438.564 6.239 30 10 IKEE CCCOc1cccc(C=Nn2c(COC)nnc2SCc2c(F)cccc2Cl)c1 2331618290 HHQYBFHCOWXAMF-UHFFFAOYSA-N 448.951 5.180 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)C3CCC3)c(Cl)c2)c1 2331674957 SBIJMIHLUMOBOK-UHFFFAOYSA-N 428.912 5.739 30 10 IKEE CC(C)C[C@@H](CNC(=O)OC(C)(C)C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339589275 VGWIDWYBKFHLGO-IBGZPJMESA-N 446.397 5.044 30 10 IKEE CCCN[C@@H](C#Cc1nc(C)cs1)c1cc(Br)c(Br)s1 2363724676 GTFSKLRGPYPQRQ-NSHDSACASA-N 434.222 5.130 30 10 IKEE C=CCCCCCCC[C@@H](N)[C@H](O)c1sc(Cl)cc1I 2366650337 MLSLETFKZFQVHQ-OCCSQVGLSA-N 427.779 5.284 30 10 IKEE CCc1cccc(CC)c1NC(=S)N/N=C/c1cccn1Cc1ccc(F)cc1Cl 3587583 XTKFNARCIPOJRZ-VULFUBBASA-N 442.991 5.774 30 10 IKEE O=[N+]([O-])c1ccc(Sc2ccc(/N=C/c3cc(Br)ccc3O)cc2)cc1 4480735 NTKWULHCCOBHMH-CIAFOILYSA-N 429.295 5.965 30 10 IKEE CCOc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCc3ccc(C)cc3)n2)cc1 8441155 KYAQIQUMHYOWDO-UHFFFAOYSA-N 436.580 7.287 30 10 IKEE O=C(c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1)N1CCCS/C1=N/c1ccccc1 16050467 GFJZBLJSRJQKNH-WCWDXBQESA-N 449.557 6.013 30 10 IKEE C=CCNc1nnc(SCc2cccc(CSc3nnc(NCC=C)s3)c2)s1 19134312 GJXJJAVDFYFNNG-UHFFFAOYSA-N 448.668 5.170 30 10 IKEE COc1cc(/C=N/OC(=O)c2ccc(Cl)cc2)ccc1OCc1c(F)cccc1Cl 20228626 BXDKWFDXXRFTPJ-RPPGKUMJSA-N 448.277 5.911 30 10 IKEE COc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(Cl)c(Cl)c2)C3)c(OC)c1 20882806 MMJDZMSTIUXNHY-CJNGLKHVSA-N 446.330 5.015 30 10 IKEE CCc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C(C)C)cc2)cc1 21242648 QJBSWRGYNRGVEC-NGQVCNFZSA-N 436.599 7.352 30 10 IKEE COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(OC)c2O)cc1 21246634 KSVMEUICVNDMHB-QLXKLKPCSA-N 442.515 5.389 30 10 IKEE COc1cccc([C@H]2C(C(=O)Nc3ccccc3F)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 27547202 VRJMMVCEVLBWOQ-QHCPKHFHSA-N 434.511 5.077 30 10 IKEE Cc1ccc(CNc2oc(-c3ccc(OCc4ccccc4Cl)cc3)nc2C#N)cc1 39841536 ZJBCTLRTIQFXTO-UHFFFAOYSA-N 429.907 6.366 30 10 IKEE C=CCOc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccccc2)cc1 39874025 OGWVQUFTGGHYSN-QHCPKHFHSA-N 443.886 5.761 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 40077761 WKPHMZQDVKXHKL-QHCPKHFHSA-N 435.564 5.761 30 10 IKEE Cc1cc(OCc2ccc([N+](=O)[O-])cc2)cc2c1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O2 41501610 CGZIGBJSLWINQQ-NHDPSOOVSA-N 432.388 5.007 30 10 IKEE Cc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(CCCc1ccccc1)C3 41647741 YGQCPNHUSBBMGQ-XYGWBWBKSA-N 425.528 5.704 30 10 IKEE Cc1ccc(/N=C2\NC(=O)/C(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)S2)cc1 59433528 PQDOAQWFNAVOLQ-FYJGNVAPSA-N 432.505 5.202 30 10 IKEE Oc1ccc2ccccc2c1/C=N/c1cc(C(F)(F)F)ccc1Oc1cccc(F)c1 59462047 KDYYPQKFWODTST-IPPBACCNSA-N 425.381 7.246 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OC(=O)c4cccc(C)c4)cc(C)c3C2=O)cc1 62926582 RWZSMCMTKVZPTN-XYGWBWBKSA-N 441.527 5.985 30 10 IKEE CCCCCCCCCCCCC/C=C\[C@H](O)[C@@H](CO)NC(=O)CCCCCCC 85605884 APDLCSPGWPLYEQ-XJJCIFQPSA-N 425.698 6.442 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 100326721 LRNLPYJTMKBGSD-SLSDLSHTSA-N 440.425 7.625 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1ccc(O[C@H](C)CC)cc1 100444048 YXSDVOBPORDYRZ-OAQYLSRUSA-N 434.690 7.378 30 10 IKEE O=C1/C(=C/c2ccc(Br)cc2)S/C(=N/c2ccccn2)N1c1ccccc1 101063042 NSJOBJDSVPAHJP-FGJAPUQFSA-N 436.334 5.653 30 10 IKEE CC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N\Nc2ccccc2)CC(C)(C)C3)cc1 101109050 SXIZDBAEFUDYQQ-ANYBSYGZSA-N 429.520 5.832 30 10 IKEE CCCCCCCCCCCCn1c([C@@H](C)NC(=O)c2cccs2)nc2ccccc21 102134667 ORQBPVCOJQMFIU-OAQYLSRUSA-N 439.669 7.510 30 10 IKEE CCCCCCCCCCCCCCCCCC/N=C(\C)c1ccc2ccccc2c1O 103946147 INGLVGYOCHRDMO-GKPLWNPISA-N 437.712 9.616 30 10 IKEE N#C[C@@H](Nc1ccccc1Br)c1ncc(Br)cc1Br 135311238 BNRFZKKYDCCFJB-GFCCVEGCSA-N 445.940 5.046 30 10 IKEE CCCCCCCCc1ccc(-c2cc(-c3ccc(CCCCCCCC)cc3)on2)cc1 137312392 MCECCQPVAMCIPZ-UHFFFAOYSA-N 445.691 9.815 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccc(OC)cc2)cc1 169924738 ZSXZDBWRAAEIIY-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCCCCCCCCOc1ccc([C@H]2NC(=S)NC3=C2C(=O)CCC3)c(Cl)c1 169938996 WGBCJBJGTMMFPC-JOCHJYFZSA-N 435.033 5.995 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccc(O)cc2)cc1C 169958057 DBHRKVLTMVUBIB-VWLOTQADSA-N 441.527 5.915 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2cc(F)ccc2F)c1 169971705 PQYPJQYQRRIXGD-JOCHJYFZSA-N 437.417 5.504 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2cccs2)s1 169983198 PMSVRPXVAXEHKN-LJQANCHMSA-N 438.574 5.728 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1cccs1)c1cccc2ccccc12 169988248 DQNFFRLGEVVORE-JOCHJYFZSA-N 447.462 5.962 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1c[nH]c2ccccc12)c1ccc(F)cc1 170073689 BCEIONMDKUONST-JOCHJYFZSA-N 430.410 5.229 30 10 IKEE Cc1ccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)o1 170101937 LWRWHSSEYSPYKG-QHCPKHFHSA-N 435.907 5.652 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccncc2)cc1C(C)C 170203250 GFROEAXSJVAUHR-DEOSSOPVSA-N 442.515 5.387 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2OC)[C@@H]1c1cccc(OCC)c1 170218442 VKYPFFXDDKICIJ-QHCPKHFHSA-N 437.536 5.171 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@@H]1c1cccc2ccccc12 170221212 MTSPKRAPUVITKM-DEOSSOPVSA-N 427.500 5.153 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccccc2)c1 170228371 JNNWJHPCBUAPNT-XMMPIXPASA-N 438.483 5.128 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccccc1 170228776 IUIAIGIGWNADEZ-NRFANRHFSA-N 448.316 5.540 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2C2CCCCC2)cc1 170266496 JSGRTAVBZBVMBY-DEOSSOPVSA-N 433.548 5.477 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1ccccc1C 170277527 SZGYIDALLCXGIY-QFIPXVFZSA-N 437.923 6.163 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccco2)ccc1Cl 170289252 YEHYOSYHVGKTDD-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccc(C)o2)c1 170306078 OAQZXHYCOVWYOC-NRFANRHFSA-N 439.414 5.048 30 10 IKEE Cc1cc2nc(N3C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]3c3ccc(O)cc3)sc2cc1C 170451264 GBDWLUWBQTYNBQ-IBGZPJMESA-N 436.533 5.134 30 10 IKEE CC(C)C(=O)C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccc(C(C)(C)C)cc1 170472104 ICPJNDGVHTXIKX-HXUWFJFHSA-N 434.561 5.719 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1cccs1 170477857 JBJPYMJCYDQQPY-KRWDZBQOSA-N 432.954 5.526 30 10 IKEE Cc1nc2ccccc2c(-c2ccc(Cl)cc2)c1C(=O)/C=C\c1ccnc2ccccc12 222312704 XQGSNEWPIIXTKA-QINSGFPZSA-N 434.926 7.308 30 10 IKEE Cc1ccc(N=C2c3ccccc3C3=NC(=O)N[C@@](c4ccccc4)(C(F)(F)F)N32)c(C)c1 254304029 UUOIXSUFCIKXRN-XMMPIXPASA-N 448.448 5.582 30 10 IKEE CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2N=Cc1ccc(C)cc1 254868190 ONTBCVHPGIIMGB-UHFFFAOYSA-N 438.535 5.065 30 10 IKEE O=[N+]([O-])c1ccc(NN=C(c2ccccc2)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 254868433 LQGJJVDKSAGEQV-UHFFFAOYSA-N 430.342 5.386 30 10 IKEE CC(C)(C)c1ccc(-c2nnc(S)n2N=C/C(Br)=C\c2ccccc2)cc1 254870372 TYPNHNNGNDVJIU-AAPKHWLTSA-N 441.398 5.801 30 10 IKEE SC[C@H]1CN(Cc2ccccc2)C[C@@H]1c1cc(Br)ccc1Br 394521621 QEFHXNRFGFVFMA-PBHICJAKSA-N 441.232 5.357 30 10 IKEE CCOc1cccc([C@H]2C(c3cccc4ccccc34)=C(O)C(=O)N2c2cccc(C#N)c2)c1 526521419 RSDYXYHEDSHFOT-MHZLTWQESA-N 446.506 6.167 30 10 IKEE CCCc1nnc(SCc2ccccc2)n1/N=C\c1ccc(OC(C)C)c(Cl)c1 526800664 VVYWXRBYGPUDBW-OYKKKHCWSA-N 428.989 5.846 30 10 IKEE CC(C)COc1ccccc1/C=N\n1cnnc1SCc1ccc(Br)cc1 526819186 DJKSRQRIEITAOU-KSEXSDGBSA-N 445.386 5.250 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(CCCC#N)Cc2ccc(C(=O)O)cc2)cc1 586180788 GADGSQDHMPNBDY-UHFFFAOYSA-N 442.581 5.002 30 10 IKEE CC(C)c1nc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)cs1 696459223 DDNRFQSOKHIEDP-MRXNPFEDSA-N 436.375 6.035 30 10 IKEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccc(Br)c(Cl)c1 698379161 SBOURKHSTTYNHK-KRWDZBQOSA-N 444.801 5.246 30 10 IKEE CC[C@@](C#N)(C1CN(C(=O)OC(C)(C)C)C1)N(C(=O)OC(C)(C)C)c1ccccc1C 716120878 JGESZPZWTDPLRO-XMMPIXPASA-N 429.561 5.276 30 10 IKEE CC(=C/c1cccs1)/C=C/C(=O)c1ccc(C(=O)/C=C/C(C)=C\c2cccs2)cc1 725419834 LVOGIPHBLPIGBD-ZZSSDCADSA-N 430.594 7.494 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)c2csc(C3CCCCC3)n2)nc2ccccc12 1859750163 NOXDTZRCYTUIOC-UHFFFAOYSA-N 442.548 5.357 30 10 IKEE Cc1ccc(C(=O)CCC(=O)Nc2ccc(Cl)c(NC(=O)c3cccc(C#N)c3)c2)cc1 1860459253 QCJNSORVUOMNRM-UHFFFAOYSA-N 445.906 5.374 30 10 IKEE CSc1ccc(Cl)cc1CC(=O)Nc1ccc(C(=O)Nc2ccccc2C#N)cc1 1860905696 GFGDSUVAEGCWEF-UHFFFAOYSA-N 435.936 5.367 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)COc1ccccc1OCC 1861631192 KICCVPGAJQAGBK-NRFANRHFSA-N 434.621 5.006 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2F)cc1 1862390689 KAXJKUWVAXLGFS-XMMPIXPASA-N 444.506 5.342 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862393870 FNGYZIKMGBDXOT-NRFANRHFSA-N 444.358 6.100 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccc(F)cc2)c1 1862444010 VYAHZEVLHRBDOH-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccncc2)cc1 1862445493 XCWQTIZGOVHHAF-QFIPXVFZSA-N 432.907 5.076 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccc(Br)c1 1862496724 QYJVJCCGLWBGOB-FQEVSTJZSA-N 442.353 5.444 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2cccc(F)c2)ccc1F 1862501854 MBVVQLARULTCTR-NRFANRHFSA-N 439.483 5.156 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2cccc(F)c2)ccc1F 1862502328 WVCKUOXAHJRMAA-HJPURHCSSA-N 433.454 5.613 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2ccc(Cl)cc2)cc1 1862536007 OWUDPVDTQKYUIV-XMMPIXPASA-N 445.946 5.989 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C2CCCC2)cc1 1862616625 CSRLJVRCWLUNFX-HSZRJFAPSA-N 433.548 5.514 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2Cc2ccco2)c1 1862617057 UFROAQVXNSGXRG-QHCPKHFHSA-N 445.515 5.364 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862622223 BVEZQNGZZTWQBS-FQEVSTJZSA-N 446.374 6.278 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(C)cc1 1862625812 OABCHSQHRCJIDW-RDPSFJRHSA-N 449.547 5.661 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1cc(Cl)cc(Cl)c1)c1cccc2ccccc12 1862657823 KALARYDEWBOPDM-OAQYLSRUSA-N 438.310 5.887 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 1862665642 LKQOEYXVHQFGBB-JOCHJYFZSA-N 446.459 5.090 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862703743 YRSNARGHTRXIMN-QHCPKHFHSA-N 435.520 5.005 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862716436 GJCCDIJWUXOSNR-NRFANRHFSA-N 439.433 5.845 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1F 1862749476 ZESNEEHXKPAQOX-IVZQSRNASA-N 446.434 5.073 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(Cl)c3Cl)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862905490 QFURXEJDUNYGDW-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE Cc1ccc(NC2=C(c3cc(Cl)ccc3Cl)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1863015111 RTDMORCWEZBYPQ-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc3c(c2)OCO3)=C(c2cc(C)ccc2C)C1=O 1863392599 LZOSFKOXWPTBEP-UHFFFAOYSA-N 448.563 5.585 30 10 IKEE COc1cc2c(cc1OC)[C@@H](C(C)C)N(c1cc(Nc3ccccc3C#N)nc(C)n1)CC2 1868490632 NHXNUGDXOUUXED-AREMUKBSSA-N 443.551 5.177 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3ccccc3[C@H]2c2ccc(OC)cc2)nc(CC)n1 1869126962 KHEHYGDBJLLKJR-MUUNZHRXSA-N 440.591 5.378 30 10 IKEE N#Cc1nnn(Cc2ccc(Cl)cc2)c1NC(=O)c1c(Cl)ccc(Cl)c1Cl 1870111920 IFIMOVFJJVGLJN-UHFFFAOYSA-N 441.105 5.064 30 10 IKEE CC(C)c1ccc(-n2nnc(C#N)c2NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 1870140865 NOGKDIGEYMACGI-UXBLZVDNSA-N 426.307 5.221 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)OC)c(=O)cc1CN1C[C@@H](C)C[C@@H](C)C1 1870449028 UOOJBZVTRYLHHW-SZPZYZBQSA-N 448.648 5.019 30 10 IKEE CCCCCCCCCCn1cc(OCC(C)C)c(=O)cc1CNc1ccc(C)cc1C 1870858407 IBHSHKUHZNAAAD-UHFFFAOYSA-N 440.672 7.253 30 10 IKEE CCCCCCCCn1cc(OC)c(=O)cc1CNc1cccc(OCc2ccccc2)c1 1870997386 ONZVZLINAQPDFR-UHFFFAOYSA-N 448.607 6.409 30 10 IKEE C=CCn1cc(OCc2ccccc2C)c(=O)cc1CNc1ccc(Cl)c(Cl)c1 1871079673 UKOIIWINVLYVDW-UHFFFAOYSA-N 429.347 5.841 30 10 IKEE C=CCn1cc(OCCc2ccccc2)c(=O)cc1CNc1ccc(C(F)(F)F)cc1 1871141568 ZXDAYUQEKIQWFS-UHFFFAOYSA-N 428.454 5.287 30 10 IKEE C=CCn1cc(OCC(=O)Nc2ccccc2C)c(=O)cc1CNc1ccccc1C(C)C 1871156260 UOGGWLNOVSTBGW-UHFFFAOYSA-N 445.563 5.096 30 10 IKEE CCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(-c2ccccc2)cc1)C3=O 1871346511 KEZMUKSHLPBAPE-XYGWBWBKSA-N 425.528 6.230 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc3C2=O)cc1 1871379536 UGAZZBYWDLPWDV-CFRMEGHHSA-N 438.435 5.191 30 10 IKEE COC(=O)c1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2)C3=O)cc1 1871381715 DJIUKUNMRCWDKI-BESOIZRISA-N 440.451 5.017 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2OCC)C3=O)cc1 1871386921 VBMYZDZOIDYMNF-IWIPYMOSSA-N 430.456 5.319 30 10 IKEE Cc1cc(O)c(CN(C)C2CCCCC2)c2c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O2 1871393420 LLNKUJUAHLRWJV-JLPGSUDCSA-N 433.592 6.379 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(CN4CCOc5ccccc54)c(O)cc(C)c3C2=O)cc1 1871396009 HYSBJCFDBIDHDW-IWIPYMOSSA-N 443.499 5.115 30 10 IKEE Cc1c(OCC(=O)NC2CCCCC2)ccc2c1O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 1871438318 ULCQIJMZJSWOTA-JLPGSUDCSA-N 447.575 5.736 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O)Nc1nc2ccccc2s1 1871443017 VYLYXWUNZRUVGJ-JAIQZWGSSA-N 446.459 5.069 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1sccc1C)C2=O 1871458934 HJBYWLBVGTYVKD-BKUYFWCQSA-N 433.529 5.561 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(C(C)C)cc1)[C@H](C)CC)S(=O)(=O)c1cccs1 1871852712 VHGWHYRADTUNPB-UTKZUKDTSA-N 434.627 5.102 30 10 IKEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1cc(C)ccc1C 1872500248 VIUICCHEIVCFMX-NRFANRHFSA-N 449.016 5.249 30 10 IKEE CCOC(=O)Oc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc1 1872776904 AFDRCTZJWSRUSK-OAHLLOKOSA-N 428.416 5.114 30 10 IKEE COc1cc(-c2csc([C@H](C#N)C(=O)Cc3ccc(C)c(C)c3)n2)c(OC)cc1Cl 1872781101 OYJXWQARZWUHGM-QGZVFWFLSA-N 440.952 5.517 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)Cc2ccccc2Cl)n1 1872785831 AMNQLCJEHWXDRI-MRXNPFEDSA-N 431.344 5.853 30 10 IKEE Cc1cc(C)c(-c2csc([C@@H](C#N)C(=O)C(c3ccccc3)c3ccccc3)n2)c(C)c1 1872786255 GDSIYZCBYYUXDG-QHCPKHFHSA-N 436.580 6.744 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@H](C#N)C(=O)c2cccc(NC(C)=O)c2)n1 1872786555 NAAHNXUANKMNKB-QGZVFWFLSA-N 439.924 5.229 30 10 IKEE N#C[C@@H](C(=O)c1ccc(F)c(F)c1F)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872788257 YLIZPCCEOFNJOL-NSHDSACASA-N 427.234 6.024 30 10 IKEE CCCCC1CCC(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)CC1 1872788596 LXOBZSSKXRNDPU-MTNXOHHFSA-N 446.616 7.145 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H](C)c2ccccc2)=C(c2cc(F)cc(F)c2)C1=O 1873111950 APYUZNJBMVYAET-SFHVURJKSA-N 440.534 5.756 30 10 IKEE CCCCCOc1ccccc1/C=N/Nc1oc(Cc2cccc3ccccc23)nc1C#N 1873464104 XRHAUGQBHGGAEF-VUTHCHCSSA-N 438.531 6.305 30 10 IKEE N#Cc1nc(-c2ccccc2)oc1N/N=C/c1cccc(OCc2cccc(Cl)c2)c1 1873470377 GLNJOYWFILDHGV-JFLMPSFJSA-N 428.879 5.892 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1/N=C/c1ccc2cc(OC)ccc2n1 1873503153 ADUYPFOUJWASJG-AFUMVMLFSA-N 435.528 5.101 30 10 IKEE C(=N/n1c(Cc2cccc3ccccc23)nnc1SCc1ccccc1)\c1ccccc1 1874269828 QIGUUIAZJKDBCI-TURZUDJPSA-N 434.568 6.197 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2cccc(C)c2)cc1 1874303482 AYSLJSSODQCNEK-OVVQPSECSA-N 442.588 5.751 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(Cl)cc3)n2/N=C/c2cccn2C)c1 1874336047 GGMKYKXXOLNZNF-MFKUBSTISA-N 435.984 5.344 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2-c2ccccc2Cl)cc1 1874364434 CLNZGHICCYNUGV-DHRITJCHSA-N 438.915 5.618 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3ccccc3C)nnc2C(F)(F)F)c1 1874458349 IRGMICGURZEBOA-DHRITJCHSA-N 434.487 5.569 30 10 IKEE CCCCc1nnc(SCc2ccccc2C)n1/N=C/c1ccc(N(CC)CC)cc1 1874475358 WFCPVHPKIWSWDL-NLRVBDNBSA-N 435.641 5.950 30 10 IKEE COCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccccc1Cl 1874475876 WTLGDWDQALBMKM-FOKLQQMPSA-N 439.343 5.087 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(OC)c(O)c1 1874480160 KVRNZEXSEZDLPI-YDZHTSKRSA-N 430.961 5.163 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc3ccccc23)n1/N=C/c1cccc(Cl)c1 1874485335 PHKPSTWCHLDQJU-CVKSISIWSA-N 434.996 6.557 30 10 IKEE CCCc1nnc(SC)n1/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1874505325 HGKDHUMLGLXACD-FSJBWODESA-N 435.380 5.721 30 10 IKEE C=CCSc1nnc(C(C)C)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874514273 QFEQJRPPTUIDMG-ZVHZXABRSA-N 426.973 5.794 30 10 IKEE CCc1ccccc1NC(=O)COc1ccccc1/C=C/C(=O)c1cccc([N+](=O)[O-])c1 1874569764 FZGCIBITHZMSIK-CCEZHUSRSA-N 430.460 5.071 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccccc2OCc2ccccc2)cc1 1874584646 YNDZTMNRKSPPRB-DYTRJAOYSA-N 428.572 7.511 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1OCc1cccc(F)c1 1874606201 CDHNFOOECWXQLT-WEVVVXLNSA-N 431.290 6.616 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Br)c(OCCC)c(OCC)c2)cc1 1874607498 QVHIAXWNOWCSKN-SDNWHVSQSA-N 445.397 6.875 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1Cl)NCc1ccco1 1874612295 NJAMTYOLJWQJFF-SOFGYWHQSA-N 430.287 5.178 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(OCC)cc2)cc1Cl 1874613871 RNWXWBRQAGVLRM-NTUHNPAUSA-N 443.971 5.662 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OCc3cccc(Cl)c3)c([N+](=O)[O-])c2)cc1 1874624266 UJLISCCGVJTMSJ-WUXMJOGZSA-N 435.907 6.847 30 10 IKEE Cc1ccc(C)c(COc2ccc(/C=C/C(=O)c3ccc(Oc4ccccc4)cc3)cc2)c1 1874627383 QDSDINOERULGES-XDHOZWIPSA-N 434.535 7.571 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OCc1ccccc1C 1874629005 IBWJTOUUDYCECC-OUKQBFOZSA-N 444.571 6.721 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OCc1cccc(C)c1 1874629066 KTBQUNXPFKNXHO-ACCUITESSA-N 428.572 7.103 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OC(=O)COc1c(C)cccc1C 1874703283 INASEBWNDGPWLV-ACCUITESSA-N 444.527 5.809 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3ccc(Cl)cc3)c2)cc1F 1874707116 OSWVUTQDJKOLOK-VZUCSPMQSA-N 440.854 5.368 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1OC(=O)C1CCCC1 1874715926 SMGPEKITTMMTGG-VQHVLOKHSA-N 449.330 6.002 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccccc2)CSc2nnc([C@@H]3CCCO3)n21 1874948718 ZNNYHPUFPIOHRA-PMACEKPBSA-N 428.602 5.192 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1cccc(Cl)c1 1875094682 DJNYSTPCUIKZQY-CSKARUKUSA-N 437.835 5.372 30 10 IKEE O=C(Cc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1[N+](=O)[O-] 1875097339 GQCBBUMRIOQTCM-GXDHUFHOSA-N 441.483 5.518 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(C)c3)c(OCC)c2)cc1 1875108124 YVAXKILFPOXOFJ-GHRIWEEISA-N 442.555 6.852 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)C(c2ccccc2)c2ccccc2)cc1 1875118160 OCLFCJVLYOTMAQ-DYTRJAOYSA-N 448.518 6.329 30 10 IKEE CCc1ccc(C(=O)Oc2c(Cl)cc(/C=C/C(=O)c3cc(C)ccc3C)cc2OC)cc1 1875138189 PXBFELSDLZUOAD-JLHYYAGUSA-N 448.946 6.643 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc4ccccc34)cc2)cc1OC 1875154150 RDOASFKLYOJKLZ-FOWTUZBSSA-N 438.479 5.972 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(F)cc2)cc1 1875161623 ZBHDEDUBNFRQQY-VIZOYTHASA-N 432.491 6.247 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OC(=O)Cc1ccccc1F 1875163476 MKUUETPEFTZYIQ-UXBLZVDNSA-N 426.390 5.157 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(F)cc2)cc1 1875167465 AQPSDVPEUTXJRW-NYYWCZLTSA-N 445.273 6.256 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)C(F)(F)F)c(Cl)c2)c(OCC)c1 1875177304 FBQSLWMOSPNTFP-WEVVVXLNSA-N 442.817 5.501 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)COCc1ccccc1 1875179326 YWZVQVPVEDLZRW-JLHYYAGUSA-N 430.500 5.330 30 10 IKEE O=C(C1=CCCCCC1)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875663483 XEICBVCSYRTBDH-GDLZYMKVSA-N 442.555 6.338 30 10 IKEE C=C(COCCC)C(=O)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875687033 OFAUSOWRZLWQFT-NDEPHWFRSA-N 446.543 5.430 30 10 IKEE N#C[C@@]1([C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCCOCC1 1875689863 MUPAMVRSLUBGIG-VSGBNLITSA-N 443.543 5.588 30 10 IKEE C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1880461190 OTFNCFRUZOHUEK-UQBPGWFLSA-N 443.588 5.353 30 10 IKEE O=C(Nc1cc(C(F)(F)F)ccc1F)c1cn(C2CC2)c2c(F)c(F)c(F)cc2c1=O 1891026476 BHNBVMVYENMJBK-UHFFFAOYSA-N 444.306 5.164 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(-c4ccsc4)cc3)cc21 1891415271 AHAONSRLHNCVGT-UHFFFAOYSA-N 432.545 5.605 30 10 IKEE C=C([C@@H](NCCC)[C@@H](O)c1cc(Br)c(Br)s1)[Si](C)(C)C 1922914511 HQQFRDMTZHEEEY-OLZOCXBDSA-N 441.305 5.108 30 10 IKEE CCCCCCC[C@](C)(CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 1927490264 DTZPZHUKMFYRCI-HHHXNRCGSA-N 437.580 6.509 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C)([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 2022138086 NAOUANZTCIOOKV-YADARESESA-N 435.609 5.486 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@H](C(C)C)N(Cc3ccccc3)C2)c1 2029764090 OCXHXIMYQWGPNC-SHQCIBLASA-N 433.596 5.929 30 10 IKEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1ccc(NC(=O)OC(C)(C)C)cc1 2031668034 VYYCKCFIMSLRPT-HXUWFJFHSA-N 446.592 5.177 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccccc1Cl)c1ccc(F)c(F)c1 2033813306 NPDIFBSPVSHCHQ-LJQANCHMSA-N 445.874 5.458 30 10 IKEE CC[C@@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(C)c2)CN1C(=O)OC(C)(C)C 2040666801 FDYIRJUSLWQEMD-KBMIEXCESA-N 443.588 5.808 30 10 IKEE C=C1CCC(C[C@H](NC)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)CC1 2041894868 WNVZJPBAKCYSEX-RPLLCQBOSA-N 442.644 5.555 30 10 IKEE C=CC1(C[C@@H](CC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)NC)CCC1 2049032401 IWBGUERGIQBEDW-QHCPKHFHSA-N 441.660 5.270 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C2(CC2)C1 2065972272 CQJVERUZYUWPMC-DEOSSOPVSA-N 445.535 5.251 30 10 IKEE C=CCC1(NCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCCC1 2071262194 GRNJMBHWWRPWIC-UHFFFAOYSA-N 427.588 6.823 30 10 IKEE N#Cc1c(-c2ccccc2)nn(Cc2ccc(F)c(Br)c2)c1Br 2080361080 XHSSYIYLMKDMFD-UHFFFAOYSA-N 435.094 5.134 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1c(Cl)cccc1Br 2094995586 VPHKVKPMRYTOEZ-KRWDZBQOSA-N 435.749 6.417 30 10 IKEE CN(CCN(Cc1ccccc1)C[C@](C#N)(NC1CC1)C1CCCCC1)Cc1ccccc1 2142974670 UYZAZARLAXLSGU-LJAQVGFWSA-N 444.667 5.215 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1nc(C(C)C)[nH]c1Br 2143946029 FAYIQCCVFXGRHM-CABCVRRESA-N 443.430 5.196 30 10 IKEE CC(C)C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1Nc1ccc(C#N)cc1Br 2149851844 KGUISNVFWSCYNY-WMZOPIPTSA-N 436.394 5.404 30 10 IKEE CCCCCCCCCCC[C@@H](N)c1scc(Br)c1Br 2152512635 GXGFVENTXWYXBD-CQSZACIVSA-N 425.274 7.194 30 10 IKEE CC(C)(C)OC(=O)N1CCCc2ccc(Nc3ccc(C#N)c(Br)c3)cc21 2162421277 CFQWIZSRQHFZLZ-UHFFFAOYSA-N 428.330 5.752 30 10 IKEE CCN(c1cc(Br)cc(C#N)c1)[C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 2174809215 XOGVYVLDYVHCIT-APWZRJJASA-N 436.394 5.231 30 10 IKEE CC(C)N(C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(C#N)c(Br)c1F 2174809939 GHFBEBLLDZMADZ-HNNXBMFYSA-N 440.357 5.074 30 10 IKEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1sc(C)c(C)c1Br 2221829295 DXPXAQZXUIAAFC-HOCLYGCPSA-N 429.424 5.085 30 10 IKEE C=C(C)CC[C@@H](NCCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237413500 HFJYZTWMKGQGHA-WOJBJXKFSA-N 439.438 5.609 30 10 IKEE Cc1ccc(CN2C(=O)[C@@](O)(CC(=O)C=Cc3ccccc3)c3cc(Cl)ccc32)cc1 2294377355 ZDYOQYKUGJUPFX-AREMUKBSSA-N 431.919 5.055 30 10 IKEE CN[C@H](C#Cc1cccc(Br)c1)[C@H](C)CCC[C@@H](C)NC(=O)OC(C)(C)C 2296216003 GOGFMKUNASAKHD-MBOZVWFJSA-N 437.422 5.108 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](CC[C@@H](O)C#Cc2cccc(Br)c2)C1 2296223978 GAEFLWTYSRNZTR-RLLQIKCJSA-N 436.390 5.025 30 10 IKEE Cc1ccc(C(O)=C2C(=O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 2296280449 PGFHTKZSXLUQRR-QHCPKHFHSA-N 431.919 5.313 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)C[C@H](C)N(CC)C(=O)OC(C)(C)C 2296285196 ZJGKRQCOPYTGEI-FXAWDEMLSA-N 437.422 5.204 30 10 IKEE CCC(=O)C=Cc1cc(Br)c(OCc2c(F)cccc2Cl)c(OC)c1 2296515064 HGPCKOLUSHTNSN-UHFFFAOYSA-N 427.697 5.822 30 10 IKEE CCCCN(CCCC)C[C@@H](O)Cn1cc(C=CC(=O)c2ccccc2)c2ccccc21 2297359438 SDZIJGBMMXHWRM-RUZDIDTESA-N 432.608 5.801 30 10 IKEE C=CCc1ccccc1OCCn1cccc1C=C1N=C(c2ccc(Cl)cc2)OC1=O 2297364480 QAAFDBZEQKJOJV-UHFFFAOYSA-N 432.907 5.294 30 10 IKEE COc1cccc(C=NC[C@]2(O)CC[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]32C)c1O 2297472088 PFLCXOYUUHWAGR-LDKPSOAWSA-N 439.640 5.984 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2302574328 NBKKLHGHRIBVCG-VAMGGRTRSA-N 435.609 5.532 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H]3C[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)cc1 2308987635 YBUDTMGADNFLID-JMQJIOGXSA-N 441.572 5.322 30 10 IKEE CN1C(=O)C(=Cc2ccc(-c3ccc(Br)cc3)o2)SC1=Nc1cccnc1 2314541192 GXXOTJSJPWMQFJ-UHFFFAOYSA-N 440.322 5.338 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc4c3CN(Cc3cc(C)ccc3C)CO4)C2=O)cc1 2322170717 AMXJMSLHJCNWOJ-UHFFFAOYSA-N 441.527 5.670 30 10 IKEE CCN(CC)C(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc2c(c1)CCCC2 2322339364 ZGQVWODWBQZUIP-UHFFFAOYSA-N 425.956 5.362 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc4c(c1)OCO4)C3=O)CN(C1CCCCCC1)CO2 2322356799 NGSFMRGWPMUSLJ-UHFFFAOYSA-N 433.504 5.215 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1C 2322415406 QOJIPZHXDRSZJE-UHFFFAOYSA-N 426.487 6.771 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Br)ccc2OCc2ccc(C)cc2)cc1 2322442944 LHVJJEBZXGQOHP-UHFFFAOYSA-N 437.333 6.241 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCc2nc(O)c3ccccc3n2)c(C)c1C 2322810083 OYQNCYUPMFDSQB-UHFFFAOYSA-N 440.499 5.436 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C)c(C)c2)c1OCC(=O)Nc1ccccc1F 2322901032 IVYGUCSKKYRYKL-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE CCc1ccc(NC(=O)COc2cccc(C=CC(=O)c3cccc4ccccc34)c2)cc1 2323203170 AXYNEIJANZQRHG-UHFFFAOYSA-N 435.523 6.316 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2sccc2C)C3=O)cc1[N+](=O)[O-] 2323336025 XQSRATRAYCEERO-UHFFFAOYSA-N 435.457 5.417 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OC(=O)Cc3ccc(Cl)c(Cl)c3)ccc2C1=O 2323417053 DCHTUTQDRZYEKG-UHFFFAOYSA-N 445.323 6.128 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)c(Cl)c2)c1 2323944079 NXXQQEIUSTULGJ-FQEVSTJZSA-N 447.962 6.109 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OCc1ccccc1 2324169559 FHKLITKBLIWQLE-UHFFFAOYSA-N 434.963 7.337 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 2324221113 DQNYVKGULNGNQC-UHFFFAOYSA-N 445.515 6.376 30 10 IKEE CCOc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3cc(OC)ccc3OC)cs2)cc1 2324583948 WDMPVVKMQFRMKP-HXUWFJFHSA-N 434.517 5.116 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OCCOc4ccc(Cl)cc4)c3C)C2=O)c1 2324672654 JJDCZKZPGIGXBP-UHFFFAOYSA-N 436.891 5.731 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(C)cc3)n2)c(OCC)c1 2324765343 GNHWPHYSCRJSME-OAQYLSRUSA-N 432.545 5.806 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OCC(=O)Nc3ccc4ccccc4c3)ccc2C1=O 2324959075 TYTZASBTJODSDX-UHFFFAOYSA-N 441.508 5.843 30 10 IKEE Cc1c(OCC(=O)N[C@H](C)c2ccccc2)ccc2c1OC(=Cc1ccccc1Cl)C2=O 2325019922 KNJHEWBZSCKMAE-QGZVFWFLSA-N 447.918 5.521 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C)cc4Cl)ccc3C2=O)c1 2325294544 RKGQPQZIXQFYRO-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(F)c(F)c2)ccc2c1OC(=CC=Cc1ccccc1)C2=O 2325528858 ZASDPQUEZIVFOR-UHFFFAOYSA-N 447.437 5.463 30 10 IKEE CCCc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 2325684908 ZPEXIPVJOKUQHE-UHFFFAOYSA-N 445.471 5.428 30 10 IKEE COc1cccc(C(=O)C=Cc2cccc(OC(=O)[C@H](C)Oc3ccc(Cl)cc3)c2)c1 2325707529 LWCIXIWPOORKHL-KRWDZBQOSA-N 436.891 5.618 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)CCc3ccccc3C)c2)cc1 2325718486 IIKWVUAELQFATE-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OC(=O)Cc1ccccc1[N+](=O)[O-] 2325739640 XIAMYJIVLLFLOQ-UHFFFAOYSA-N 445.471 5.264 30 10 IKEE Cc1ccc2oc(=O)cc(COc3ccc4c(c3)OC(=Cc3cccc(F)c3)C4=O)c2c1 2325741382 KHSDDOOCRATBJY-UHFFFAOYSA-N 428.415 5.436 30 10 IKEE COc1ccc(C=Nn2cnnc2SCc2ccc(Cl)c(Cl)c2)c(Cl)c1O 2326489229 BXLPWSACCGZPKB-UHFFFAOYSA-N 443.743 5.127 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccc(OCC)c(Cl)c1 2326600103 GHSXJEJGOTZJJE-UHFFFAOYSA-N 443.016 6.074 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2cccc(F)c2)cc1 2328567192 DQMKZYPLWIGZKI-UHFFFAOYSA-N 446.551 5.581 30 10 IKEE COc1ccccc1CCc1nnc(SCc2ccccc2)n1N=Cc1ccccc1 2328691549 RNLFXCNENQHHOJ-UHFFFAOYSA-N 428.561 5.246 30 10 IKEE Cn1cccc1C=Nn1c(SCc2ccc(Cl)cc2)nnc1-c1ccccc1Cl 2329604478 PRUQCPOGDALWLA-UHFFFAOYSA-N 442.375 5.765 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(F)cc3)n2N=Cc2ccccc2C)cc1 2329798903 OBWFYOMJAQEGQN-UHFFFAOYSA-N 430.552 5.799 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(Cl)c1OC(=O)c1ccccc1 2330649305 RQDZNYZWCZRJHB-UHFFFAOYSA-N 442.898 6.617 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(OCC(C)C)cc3)cc2)cc1C 2330855498 LHBOWCBHQFRIAT-UHFFFAOYSA-N 444.527 6.154 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(C=CC(=O)c3ccc(Br)cc3)cc2)c1 2330881378 IRJLXYBRILFCMV-UHFFFAOYSA-N 449.344 6.110 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)ccc1OC(=O)Cc1cc(C)ccc1C 2330949442 SYVNOYOGTPITLM-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE COc1ccccc1C=Nn1c(SCc2cccc3ccccc23)nnc1[C@@H]1CCCO1 2330979799 RQACLNYWXQJRSX-QHCPKHFHSA-N 444.560 5.466 30 10 IKEE Clc1ccc(CSc2nnc([C@H]3CCCO3)n2N=Cc2cccs2)c(Cl)c1 2331002179 OIGHRMUOJPUIAL-MRXNPFEDSA-N 439.393 5.672 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2-c2ccco2)cc1 2331187293 RLYYWZDZFIOVGT-UHFFFAOYSA-N 436.512 5.641 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)Cc2cccs2)c(Cl)c1 2331358498 DTKBISMWLRVFGU-UHFFFAOYSA-N 426.921 5.763 30 10 IKEE CCc1ccc(C=Nn2c(CC(C)C)nnc2SCC(=O)Nc2ccc(C)cc2C)cc1 2331474016 WXPVLVZFCVFKRW-UHFFFAOYSA-N 449.624 5.269 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)[C@@H](C)c2ccccc2)cc1 2331546263 AHRXUQIXOFUMRC-FQEVSTJZSA-N 442.555 6.598 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1C 2331644942 ZSDOLYXTMHHRBH-UHFFFAOYSA-N 429.472 5.944 30 10 IKEE CCCC(=O)Oc1c(OC)cc(C=CC(=O)c2cc(OCC)ccc2OCC)cc1OC 2331675438 PPNOSLCHNOCKCO-UHFFFAOYSA-N 442.508 5.103 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2C(C)C)cc1OC 2331685393 GDRAYLQIBLNUSG-UHFFFAOYSA-N 428.533 5.122 30 10 IKEE CC(C)c1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(C(F)(F)F)cc1 2331707961 FMYRABHIZWQMRZ-UHFFFAOYSA-N 438.906 6.248 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3c(C)cc(C)cc3C)cc2)cc1 2331764216 LRISEFIOABNENK-UHFFFAOYSA-N 444.527 5.891 30 10 IKEE Cc1cc(C(=O)N2CC[C@](C)(B3OC(C)(C)C(C)(C)O3)C2)ccc1NC(=O)OC(C)(C)C 2342469201 HFJJBIRCMSREPW-DEOSSOPVSA-N 444.381 5.040 30 10 IKEE C=CCC(CC=C)[C@@H](NCCC)c1ccc(Br)cc1I 2364084343 SVKLRNLXDFODDQ-QGZVFWFLSA-N 448.186 5.863 30 10 IKEE CN(C[C@H]1CCCCN1Cc1ccccc1)c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2365069264 YOHOGXGXIBYOTF-XMMPIXPASA-N 447.432 5.217 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccccc1Cl 14068364 VZQJDUBZNWLEEM-UHFFFAOYSA-N 426.973 5.639 30 10 IKEE COc1ccc(OC)c(/C=C\C(=O)c2c(-c3ccccc3)c3cc(C)ccc3[nH]c2=O)c1 17121964 NPPBTXBNPQRUIG-RAXLEYEMSA-N 425.484 5.417 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(O)c2)cc1 21229198 QGVODNOAAAPHNC-MMTVBGGISA-N 440.543 6.161 30 10 IKEE Cc1ccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CCCCC4)c3ccccc3n2)cc1 27528313 RJMIHURSSBHGRG-UHFFFAOYSA-N 437.568 6.665 30 10 IKEE O=C(/C=C/c1ccc(-c2c(Cl)cccc2Cl)o1)c1ccc(-c2ccc(F)cc2)o1 33568478 WOZLSGFMMYJEJW-CSKARUKUSA-N 427.258 7.549 30 10 IKEE COc1ccc(/N=C2/S/C(=C/c3ccc(Cl)cc3)C(=O)N2[C@@H](C)c2ccccc2)cc1 33764635 BTNUFIUQQYFFJK-GTERNTOXSA-N 448.975 6.714 30 10 IKEE O=C1/C(=C\c2ccc(Br)o2)S/C(=N/c2cccnc2)N1C1CCCCC1 39863139 NGZXKDMNABAYCA-BMIYWVGJSA-N 432.343 5.374 30 10 IKEE C=CCOc1ccc([C@H]2c3c(-c4cc(Cl)ccc4O)n[nH]c3C(=O)N2CCCC)cc1 39898460 DLIUGJMYPGZZEE-QHCPKHFHSA-N 437.927 5.346 30 10 IKEE C=CCc1ccccc1OCCCn1c([C@H](C)NC(=O)c2ccccn2)nc2ccccc21 40185066 DMMSAZQWWMVVGE-FQEVSTJZSA-N 440.547 5.120 30 10 IKEE C=CCc1ccccc1OCCn1c(COc2ccc(C(C)C)cc2)nc2ccccc21 40235681 YYONZMPCAGUHLE-UHFFFAOYSA-N 426.560 6.546 30 10 IKEE COc1cc(/C=C2\Oc3c(ccc(OCc4ccccc4)c3C)C2=O)cc(OC)c1OC 41432733 MRADXEMKCYEHQY-MTJSOVHGSA-N 432.472 5.216 30 10 IKEE Cc1cc(O)c(CN(C)Cc2ccccc2)c2c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O2 41514539 SSSXKKWZTYRJHG-MYYYXRDXSA-N 427.544 6.072 30 10 IKEE COc1cccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN([C@@H](C)c2ccccc2)C4)c1 41646767 XTNKOWXBMVTCEP-SMNNTEATSA-N 427.500 5.533 30 10 IKEE CCCCOc1ccc(C(=O)/N=C(\NCc2ccncc2)Nc2ccc(CC)cc2)cc1 45940352 RAXPGZDWLVBIBN-UHFFFAOYSA-N 430.552 5.221 30 10 IKEE Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)CCC[C@@H]5[C@H]4CC[C@@H]3C2)cc1 48546770 DJKUHJBPRWSFHW-KISOAEQDSA-N 430.654 6.502 30 10 IKEE CCCCCCCCOC(=O)c1ccc(NC(=O)CC(=O)c2ccccc2OC)cc1 97997854 KLUHVPXMEHXVBO-UHFFFAOYSA-N 425.525 5.424 30 10 IKEE Cc1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccccc3)[C@H]2c2ccc(C(C)C)cc2)cc1Cl 102580912 OGZLREXKACVGNC-QQYUXEJHSA-N 445.946 6.398 30 10 IKEE Cc1nc(N2C(=O)C(=O)/C(=C(\O)c3cccs3)[C@@H]2c2ccc(C(C)C)cc2)sc1C 103097655 CAGWHKOMOXFQJN-HQMFNGAOSA-N 438.574 5.571 30 10 IKEE Cc1ccc2oc(-c3cccc(N/C=C4/C(=O)C=Cc5cc([N+](=O)[O-])ccc54)c3C)nc2c1 136550669 VARDVMWRSHVOTD-KGENOOAVSA-N 437.455 6.069 30 10 IKEE CCCCCCOc1ccccc1C(=O)/C=N\n1c(Cc2ccccc2)nnc1SC 169916103 MXIZFPAMAMQVDZ-BWAHOGKJSA-N 436.581 5.267 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2c2ccc(C)cc2)cc1 169925260 RERBMTRZCBVWQY-XMMPIXPASA-N 443.499 5.104 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 169925409 JXGFCIYDBXGRDX-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2OC)cc1 169944598 GVDNHZHPGFJHIA-DEOSSOPVSA-N 427.500 5.349 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)C)cc2)[C@@H]1c1ccccn1 169991907 NCNINOBYLQBOBU-XMMPIXPASA-N 442.515 5.305 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(OCC(C)C)cc2)=C(O)C(=O)N1C1CCCC1 170126076 MKKMYBJACCGAIP-XMMPIXPASA-N 449.547 5.251 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@H]1c1cccs1 170156104 CSRQWUZYSDEPNQ-QFIPXVFZSA-N 447.556 5.773 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2cccs2)c1 170158694 YSIPDGNDWQRJTA-HSZRJFAPSA-N 447.556 5.937 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4C)[C@H]3c3cccs3)oc12 170161667 DHSKDXPBBCEURS-NRFANRHFSA-N 445.496 5.594 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cccs1 170163955 WTYWMFDYSNBJGG-JOCHJYFZSA-N 437.605 6.265 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccncc1)c1ccc2ccccc2c1 170203845 GHJABZGDABNWTM-HSZRJFAPSA-N 440.886 5.671 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccc(OCC)cc1 170214496 BJDFWEJDMZFDSX-MZNJEOGPSA-N 449.547 5.177 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccccc2)c(OC)c1 170228073 RIERDRWCFYORMK-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(C(C)C)cc2)c1 170246116 LJVGRKZVZDMXKV-VWLOTQADSA-N 447.575 6.118 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2c2ccccc2)cc1 170265429 UEVZGZLDXRLEKU-HSZRJFAPSA-N 447.918 5.694 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2ccccc2)cc1 170265459 RQMOSIRZGPUBIW-SANMLTNESA-N 433.507 6.185 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2C)[C@@H]1c1ccco1 170288857 YVWBEEUIVSRCLG-HXUWFJFHSA-N 441.842 5.172 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2sccc2C)cc1 170319059 SSMJFSDNXHPJLP-FQEVSTJZSA-N 427.566 5.614 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccc(OC(C)C)c2)cc1 170348127 QIIOXOJZOKFSSH-XMMPIXPASA-N 443.499 5.265 30 10 IKEE Cc1cc2sc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3cccs3)nc2cc1Cl 170478542 WYCNRLMEVHWRMC-SFHVURJKSA-N 446.981 5.835 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)c2ccc(-c3ccccc3)cc2)nc2c(C)cccc12 170536789 JQNKYZUSVYGEJO-UHFFFAOYSA-N 443.510 5.828 30 10 IKEE COc1cc([N+](=O)[O-])ccc1-c1ccc(C=Nc2c(-c3ccco3)nc3ccccn23)o1 252598777 DDVNIZFMKOWAJV-UHFFFAOYSA-N 428.404 5.522 30 10 IKEE Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1CCCSC1=Nc1ccccc1C(C)C 254614734 WWRKHXUSMPOEBN-UHFFFAOYSA-N 446.620 5.938 30 10 IKEE COc1ccc([C@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1Cl 526521066 KOPNOBHUKMQFDO-QHCPKHFHSA-N 430.891 5.586 30 10 IKEE CCCOc1c(/C=N\n2c(CCC)nnc2SCc2ccccc2F)cccc1OC 526803486 VVYKUCYAUQJVTG-MYYYXRDXSA-N 442.560 5.342 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1cc(Cl)c(O)c(OC)c1 526807200 NHVVOQAXJZDHFI-YVNNLAQVSA-N 437.352 5.036 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1ccc(OC(C)C)c(Cl)c1 526807667 BHPUXAQWMLWYMX-QFEZKATASA-N 443.016 6.154 30 10 IKEE Cc1cc(C)cc(CSc2nnc(CCc3ccccc3)n2/N=C\c2cccc(F)c2)c1 526809866 WLOPGOYWMOBROC-QRQIAZFYSA-N 444.579 5.994 30 10 IKEE COc1ccc(/C=N\n2c(C)nnc2SCc2cc(C)cc(C)c2)cc1Br 526810035 USFFGGIFZJVRIU-JJFYIABZSA-N 445.386 5.149 30 10 IKEE COc1cccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2cccc(Cl)c2)c1 526812588 BRMKZUBKEURHFC-QQXSKIMKSA-N 448.979 5.705 30 10 IKEE CC(C)(C)c1ccc(S(=O)(=O)N(CCCC#N)C(c2ccccc2)c2ccccc2)cc1 586143840 LSUZCBBIVFGNQI-UHFFFAOYSA-N 446.616 6.068 30 10 IKEE COc1ccc(Cl)cc1S(=O)(=O)N(CCC1=CCCCC1)Cc1cccc(C#N)c1 586154920 GKHLOFQXTLVSGU-UHFFFAOYSA-N 444.984 5.302 30 10 IKEE COCc1ccccc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 698456924 JWPPJPCOPPWZKY-IBGZPJMESA-N 431.330 5.602 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 698829965 UBSRCAXARSMTDO-FDDCHVKYSA-N 449.979 5.763 30 10 IKEE C[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)CCN1C(=O)OC(C)(C)C 698881197 HQBVWQZWGOADPS-KOSHJBKYSA-N 435.609 5.628 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CC[C@H](C)N(C(=O)OC(C)(C)C)C2)cc1 698989672 TXBAZYMMZBECNL-BXKMTCNYSA-N 445.560 5.118 30 10 IKEE Cc1cccc2c1cc(C(=O)NCc1cccc3ccccc13)n2Cc1cccc(C=NN)c1 725414992 GUEUKQHAXUXAEJ-UHFFFAOYSA-N 446.554 5.374 30 10 IKEE COc1cccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccc(C)cc2)c1 726570490 BDDPQQZGKDCBNT-UHFFFAOYSA-O 436.944 5.140 30 10 IKEE CCCCCCCCc1ccc(N=Nc2ccc(OC(=O)CCCCCCC)cc2)cc1 1081820654 VEZWOLSTHKBNCY-UHFFFAOYSA-N 436.640 9.271 30 10 IKEE C(=NNc1nc(SCc2cccnc2)n[nH]1)c1ccc2ccc3cccc4ccc1c2c34 1084390086 HRPRMHXNQXKGMJ-UHFFFAOYSA-N 434.528 5.835 30 10 IKEE CC(=NNc1nc(SCC(=O)Nc2cc(C)cc(C)c2)n[nH]1)c1ccc2ccccc2c1 1084640400 HQRZMXMKFGYZAC-UHFFFAOYSA-N 444.564 5.142 30 10 IKEE O=C1/C(=C/c2cc(Cl)ccc2O)S/C(=N\N=C/c2ccccc2)N1Cc1ccco1 1554646053 DAGVJYYTVJQEMV-VFCAVQFPSA-N 437.908 5.145 30 10 IKEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CCCC1(C)C 1689841884 PSAPPPKFZNPMFE-WBVHZDCISA-N 445.405 5.000 30 10 IKEE O=C1/C(=C\c2ccc(Cl)cc2)SC(=NN=Cc2ccccc2F)N1Cc1ccco1 1772759287 PFHMQTSZFBNIPY-VZSHRWNXSA-N 439.899 5.579 30 10 IKEE S=C(N/N=C\c1cn(-c2ccccc2)nc1-c1cccc(Cl)c1)Nc1ccccc1 1857811664 VWLNLQXCEDTEIO-MYYYXRDXSA-N 431.952 5.513 30 10 IKEE C=CCN(CC=C)c1cc(-c2cc3cnccc3c(NCc3ccc(OC)cc3)n2)ccn1 1857832673 SMNTWJVXTOKVIP-UHFFFAOYSA-N 437.547 5.491 30 10 IKEE CCCCCCCCn1cc(OCCOc2cccc3ccccc23)c(=O)cc1C(=O)O 1857891070 LMUYQXINXXERQC-UHFFFAOYSA-N 437.536 5.518 30 10 IKEE Cc1ccc(/C=C/C(=O)Nc2cccc3c(OC(=O)Nc4cccc(C#N)c4)cccc23)cc1 1858773645 HYVQAFDXWXUGKZ-FOCLMDBBSA-N 447.494 6.283 30 10 IKEE N#Cc1ccccc1NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)n(-c2ccccn2)n1 1859389044 BGCMQLUZCAOVOK-UHFFFAOYSA-N 434.286 5.365 30 10 IKEE CCOC(=O)c1sc(NC(=O)c2ccc3oc(-c4ccc(F)cc4)nc3c2)c(C#N)c1C 1859736315 WTZWNXWAFTZIAN-UHFFFAOYSA-N 449.463 5.305 30 10 IKEE COc1cc(C(=O)ON=C2CCC(C(C)(C)C)CC2)c(Br)c(OC)c1OC 1860466981 VPCWGITYZOPKJQ-UHFFFAOYSA-N 442.350 5.224 30 10 IKEE CCCCCCCCCCn1c(C)cc(OCC(=O)c2ccc(NC(C)=O)cc2)cc1=O 1860785291 QPAKDMIGJHQVCD-UHFFFAOYSA-N 440.584 5.518 30 10 IKEE C[C@H]1CCc2c(sc(NC(=O)CSc3nc(-c4cccs4)cs3)c2C#N)C1 1860807490 OWDNQYBSRIVGLD-NSHDSACASA-N 431.633 5.660 30 10 IKEE CCCCCCCCNC(=O)[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 1861474907 PGUVJISIRYBTGR-HHHXNRCGSA-N 442.603 6.301 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CCCCCCC2)c1 1862429056 FEOVOYPXNTZXIK-HSZRJFAPSA-N 437.967 6.340 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@H](C)c2ccccc2)c1 1862473985 IXKLNSBFDURWFU-HOYKHHGWSA-N 427.500 5.343 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC2=CCCCC2)c1 1862479104 YSAKOTIIPNPWKI-RUZDIDTESA-N 445.559 5.863 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2c(Cl)cccc2Cl)c1 1862498630 MNKHUBBMIKQUPE-NRFANRHFSA-N 444.358 6.131 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(C)cc2)cc1 1862514531 JKJPRFFYYOTOEC-QHCPKHFHSA-N 447.556 5.624 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccc1Cl 1862651057 KJRACTCIVLWIDF-QHCPKHFHSA-N 433.935 6.118 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2cccc(O)c2)cc1 1862661008 BEQIOSUUYURVOL-DEOSSOPVSA-N 445.490 5.433 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2cccc(O)c2)cc1 1862662967 OIZSPFZPBOCRLF-VWLOTQADSA-N 441.527 5.337 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CCCCC2)cc1 1862664349 ZJZXPJQAOUWIEO-VWLOTQADSA-N 431.576 6.283 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 1862688563 ZIHXHPXPTSLHCW-QFIPXVFZSA-N 433.891 5.127 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(N(C)C)cc1 1862726771 OHDYCFZBSMOPNV-VWLOTQADSA-N 438.527 5.184 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2C(C)C)cc1O 1862727850 NRLHTTIFFRIWSE-DEOSSOPVSA-N 443.499 5.055 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3cc(Cl)ccc3Cl)C2=O)cc1 1862898069 UZLNTBRPKFMFQP-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE CC[C@](C)(NC(=O)C[C@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccccc1C#N 1866746997 SBTWKYQDKDHZFH-HOFKKMOUSA-N 433.596 5.735 30 10 IKEE CCOCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSc1ccccc1 1870233020 ACKBDOUYMHUTHT-UHFFFAOYSA-N 434.561 5.018 30 10 IKEE C=CCn1cc(OCCCCOc2ccccc2C)c(=O)cc1CN(C)Cc1ccccc1 1870322395 YJBFIPYJCJVRFQ-UHFFFAOYSA-N 446.591 5.213 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc3ccccc23)cn1CCCCC 1870487926 NESRTYOYWSSZQA-UHFFFAOYSA-N 430.592 5.945 30 10 IKEE CCCCCCCCCCn1cc(OCc2ccc(C)cc2)c(=O)cc1CN1CCCC1 1870768550 FJMPCSNPUCEEHT-UHFFFAOYSA-N 438.656 6.472 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc4c3CN([C@H]3CCCC[C@@H]3C)CO4)C2=O)c(OC)c1 1871350405 DYMFQPCQRZFFMV-QQLRHYFPSA-N 435.520 5.051 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1c(F)cccc1Cl)O3)CN([C@@H]1CCCC[C@H]1C)CO2 1871351114 KSFAAOLTXYFSRA-DDNFXEDJSA-N 441.930 6.134 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN(CCOc2ccccc2)C3)C1=O 1871352417 HUSYIJUCZALJPO-IWIPYMOSSA-N 427.500 5.151 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O)c1cccc(Br)c1 1871365713 AZVSJXCRTVXDAC-JAIQZWGSSA-N 439.236 5.424 30 10 IKEE Cc1c(OC(=O)Cc2ccc(Cl)c(Cl)c2)ccc2c1O/C(=C\c1ccccn1)C2=O 1871376679 CMTBTYPPOPHZOT-NDENLUEZSA-N 440.282 5.461 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCOc4ccccc43)C2=O)cc1 1871396038 JHRYECOFBCRVOE-MYYYXRDXSA-N 427.500 5.531 30 10 IKEE Cc1c(OCCOc2ccccc2)ccc2c1O/C(=C\c1c(Cl)cccc1Cl)C2=O 1871397041 GNNUZFIBRJIMHG-HMAPJEAMSA-N 441.310 6.376 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OCCCCOc4cccc(C)c4)c3C)C2=O)cc1 1871403641 QYXFWQJDVONDHT-DIBXZPPDSA-N 442.555 6.720 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccccc2C)C3=O)cc1 1871409026 WGDKYBXFLJZLGU-YPFLROGLSA-N 427.500 5.634 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCc4cc(C)c(C)cc4C)ccc3C2=O)cc1OC 1871417142 DUHHBFWKYQXZLG-ZMFRSBBQSA-N 430.500 5.824 30 10 IKEE CCCC[C@@H](Oc1ccc2c(c1C)O/C(=C\c1cn(C)c3ccc(OC)cc13)C2=O)C(=O)O 1871423264 PMMHNVWVVICHEH-VPZZMXQWSA-N 449.503 5.134 30 10 IKEE COc1cc(/C=C2\Oc3cc(OCc4cccc(C)c4)cc(C)c3C2=O)cc(OC)c1OC 1871455578 UQHAKUILFUBZFL-JJFYIABZSA-N 446.499 5.524 30 10 IKEE Cc1cc(OCC(=O)Nc2ccccc2C(C)C)cc2c1C(=O)/C(=C/c1ccccc1)O2 1871456270 WGAMZYCQOKNJLD-OYKKKHCWSA-N 427.500 5.752 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cc(Cl)ccc4C)ccc3C2=O)cc1 1871457726 VYZQPWKKSQJOMI-MSXFZWOLSA-N 447.918 5.845 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2sccc2C)C3=O)cc1C 1871459922 LDRPKYXDIXTOLW-MTJSOVHGSA-N 433.529 5.615 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 1872458330 MSYXGYXPGAXAGA-NRFANRHFSA-N 434.989 5.023 30 10 IKEE N#C[C@@H](C(=O)/C=C/c1ccc(Cl)c(Cl)c1)c1nc(-c2ccc3ccccc3c2)cs1 1872760217 JVHMXTNSFGQGCQ-IUYMFKLXSA-N 449.362 7.160 30 10 IKEE COC(=O)c1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc1 1872776563 RZVIZQWJSWGACG-JJMMYFGJSA-N 430.529 5.610 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@@H](C#N)C(=O)COc2ccc(Cl)c(C)c2)n1 1872781654 XEKVSOAFBVAOJD-SFHVURJKSA-N 440.952 5.653 30 10 IKEE CCCCCCCCCCNC1=C(c2cccc(Cl)c2Cl)C(=O)N(CC)C1=O 1873127178 BWMAVQXWINHAJR-UHFFFAOYSA-N 425.400 5.824 30 10 IKEE N#Cc1ccc(NC2=C(c3c(Cl)cccc3Cl)C(=O)N(Cc3ccccc3)C2=O)cc1 1873284888 ZJCORDSGDLOBKO-UHFFFAOYSA-N 448.309 5.257 30 10 IKEE CCCCCCCCCCNC(=O)c1cc2c(N(CCC)CCCC)ncnc2n1CC 1873570865 LWFDDPUAODXYGD-UHFFFAOYSA-N 443.680 6.338 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C)c2C)cc2c(NCCCOCCCC)ncnc21 1873608057 IBPIJENKAPFNME-UHFFFAOYSA-N 435.572 5.105 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)c(F)c2)cc2c(NCc3ccc(Cl)cc3)ncnc21 1873637685 LGQIXAZTQJQDHZ-UHFFFAOYSA-N 449.917 5.583 30 10 IKEE CCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccc(O)cc1 1874192860 RRTQHLLMRWILFC-ZVHZXABRSA-N 444.988 5.260 30 10 IKEE CCCc1ccc(OCc2nnc(SCc3ccccc3C)n2/N=C/c2ccc[nH]2)cc1 1874257469 CBECEQOELCGKSK-JVWAILMASA-N 445.592 5.621 30 10 IKEE Cc1ccccc1/C=N/n1c(COc2ccc(Cl)cc2)nnc1SCc1ccccc1 1874265310 RGPCNFITBLAVCL-CVKSISIWSA-N 448.979 5.993 30 10 IKEE Cc1ccc(CSc2nnc(CCCOc3ccccc3)n2/N=C/c2ccc[nH]2)cc1 1874315392 QFPDUGADABYZOT-YZSQISJMSA-N 431.565 5.101 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2)n1/N=C/c1ccccc1OC(C)C 1874317712 HXGXYQLRBSBQGF-XIEYBQDHSA-N 436.581 5.237 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc[nH]1 1874363507 JFBINFVYYNKELB-CVKSISIWSA-N 435.984 5.528 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(F)cc3)n2/N=C/c2cc(C)ccc2O)c1 1874377618 FUFRQDDYFZWHCE-JFLMPSFJSA-N 446.551 5.505 30 10 IKEE C=C(C)CSc1nnc(CC2CCCCC2)n1/N=C/c1ccc(Br)cc1 1874407868 TWOYRBGQFNHHJU-LPYMAVHISA-N 433.419 5.714 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3)n2/N=C/c2cccc(O)c2)c1 1874416792 IEHOOMKNQDYBGH-WGOQTCKBSA-N 428.561 5.366 30 10 IKEE CCOc1cc(/C=N/n2c(SCc3ccc(C)cc3)nnc2-c2ccccc2)ccc1O 1874425648 SOQOATTZSMSTNU-WGOQTCKBSA-N 444.560 5.532 30 10 IKEE COc1cc(/C=N/n2c(SCc3ccccc3Cl)nnc2-c2ccco2)ccc1O 1874467037 OYLZFXDOUVFCBQ-FSJBWODESA-N 440.912 5.080 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccco1 1874468090 QQHHJUHPDAZGEC-WYMPLXKRSA-N 443.359 6.328 30 10 IKEE CC(C)(C)c1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874484331 QHZVFOHHHRTEAE-SSDVNMTOSA-N 445.932 5.017 30 10 IKEE CCCOc1cccc(/C=N/n2c(COC)nnc2SCc2ccc(Cl)cc2)c1 1874503030 MZVYVDYPSSSSGN-YDZHTSKRSA-N 430.961 5.041 30 10 IKEE C=CCSc1nnc(CCC)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874508430 CWGUMXKVUNUNHH-BUVRLJJBSA-N 426.973 5.623 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2C(C)C)cc1 1874509240 RXIOXOFALVFCAW-YZSQISJMSA-N 436.625 6.453 30 10 IKEE CCCOc1ccc(/C=N/n2cnnc2SCc2c(F)cccc2Cl)cc1OCC 1874540807 VSFPIQBMWDNHQO-BRJLIKDPSA-N 448.951 5.433 30 10 IKEE Cc1ccc(Cc2nnc(S)n2/N=C/c2ccccc2OCc2ccccc2C)cc1C 1874562378 RUUJPVLUSRVJHG-JVWAILMASA-N 442.588 5.544 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2nc(O)c3ccccc3n2)cc1 1874572334 IDJWUFOZZKZUIK-FOCLMDBBSA-N 440.499 5.382 30 10 IKEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(F)cc1F)NCc1ccccc1 1874576269 FZGGDIVWUAEPED-UXBLZVDNSA-N 441.861 5.210 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1 1874605093 PQOLCSCUDUGZIQ-GXDHUFHOSA-N 429.516 5.480 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)c1 1874630394 DQLBDJKXKWSRJN-FOWTUZBSSA-N 445.515 5.398 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)ccc1OCc1cccc(C)c1 1874635338 LKYJHLGHHNOACQ-NTCAYCPXSA-N 442.599 7.475 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OCC(=O)NCc1ccco1 1874635615 UPFHOBZSQWXVRN-CSKARUKUSA-N 447.531 5.195 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(OC(=O)C(C)(C)C)c(OC)cc2Br)cc1 1874694575 KCLWSCHMUMOFSK-VAWYXSNFSA-N 445.353 5.868 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(Cl)c(Cl)c2)c1)c1ccc([N+](=O)[O-])cc1 1874698016 HDQBVDMFKCCSTG-NYYWCZLTSA-N 442.254 6.017 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccccc3F)c2)cc1 1874701970 OPCQSEMRKHOUAP-RIYZIHGNSA-N 448.490 5.667 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@H](Cc3ccccc3)c3ccccc3)c2)cc1 1874702360 YUDYUUPMIJNFPO-PIFGMFBSSA-N 446.546 6.823 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OC(=O)c1cccc2ccccc12 1874703178 CEOQELLXSUUXMA-FYWRMAATSA-N 436.507 6.581 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)cc1 1874703557 VQGOFTODPNFBLU-RIYZIHGNSA-N 445.471 5.807 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)COc3ccc(C)c(C)c3)c2)c(C)c1 1874716336 NJPIVHZTHYIENB-ZRDIBKRKSA-N 428.528 6.109 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(F)cc3F)c2)cc1C 1874718374 WCGTUJPUNOAGRE-JXMROGBWSA-N 436.454 5.634 30 10 IKEE O=C(Cc1ccc(Cl)cc1)Oc1cccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1 1874718682 LILWKNAYWJFOOF-IZZDOVSWSA-N 445.729 6.691 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3ccc(C)cc3)cc2)c1 1875103053 VQYQOOKVLRTSRF-SFQUDFHCSA-N 430.500 5.664 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc4c(c3)OCO4)c(Cl)c2)cc1 1875114362 QMEHAQRFYLDUFZ-XNWCZRBMSA-N 436.847 5.193 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC(=O)c1ccccn1 1875148945 QPDNWJFCPOHHHS-NTEUORMPSA-N 445.515 5.512 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1[N+](=O)[O-] 1875155020 IWSCQPHPJKGUFK-JQIJEIRASA-N 431.488 6.520 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(F)c(F)c2)cc1 1875181896 BTMPOQQZFODFBW-BJMVGYQFSA-N 442.845 6.051 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)cc(Cl)c1OC(=O)C(C)C 1875188654 CNSCIFRXGQQRLR-SOFGYWHQSA-N 437.319 5.858 30 10 IKEE N#CC1(c2ccccc2)CCN(C(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)CC1 1891523981 RDOIEXLLZCJNBM-UHFFFAOYSA-N 435.354 6.358 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCC2(CCCCC2)C1 1915886318 QSVQSAMVBFHXIU-QFIPXVFZSA-N 433.390 6.587 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)OC(C)(C)C 1922059874 KVYYGMHJIUZNDX-QORCZRPOSA-N 442.644 5.696 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1cc(OC)ccc1NC(=O)OC(C)(C)C 1922107018 ISDVSQJAEZZZBB-HSZRJFAPSA-N 426.557 5.466 30 10 IKEE C=C(COCc1ccccc1)[C@H](NC)c1scc(Br)c1Br 1922119626 OWMNJJAWUPFEPY-HNNXBMFYSA-N 431.193 5.307 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)C1 1944696924 DLJFLQDVUOXBFC-APWZRJJASA-N 449.979 5.621 30 10 IKEE N#Cc1csc([C@@H]2[C@H](C(=O)O)CCN2C(=O)OCC2c3ccccc3-c3ccccc32)c1 1952915136 XTDXWAPEMVRTJR-OFNKIYASSA-N 444.512 5.016 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C3CCC3)C[C@H]21 2001959252 YPKWLXCPHNMWHD-ROMRWMGNSA-N 433.593 5.238 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2032044954 QFUQYFRQWWHSDA-WYEJZRMESA-N 441.572 5.276 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)C[C@@H](C)C1 2041559982 NWPMXJANDUVGBR-BVZFJXPGSA-N 443.588 5.666 30 10 IKEE C#CCCCC[C@@H](NCCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2053263351 DSQPAGHSMKRKEV-SHQCIBLASA-N 442.644 5.392 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 2059079995 XNUUKIPCPPIANZ-OFVILXPXSA-N 438.612 6.086 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C12CC2 2070831267 BWUZIDZABOIMQT-DEOSSOPVSA-N 445.535 5.393 30 10 IKEE CC[C@@H](c1cc(C)c(C)cc1C)n1nc(C2CC2)c(/C=N/O)c1I 2078991388 AKLJFQZPEAIXRK-GVLJNOETSA-N 437.325 5.098 30 10 IKEE COc1cc(-c2cc(Cl)n3nc(C4CCCCC4)c(C#N)c3n2)cc(C(F)(F)F)c1 2081185020 CHHLXTRKVFFSPA-UHFFFAOYSA-N 434.849 5.996 30 10 IKEE C=CCN(CC[C@@H](NCC)c1c(F)ccc(Br)c1F)C(=O)OC(C)(C)C 2099292704 LKKCUCXESCBOLH-OAHLLOKOSA-N 433.337 5.191 30 10 IKEE CC1(C)OB(C=C2CCN(Cc3ccc(Cl)c(Br)c3)CC2)OC1(C)C 2110460846 JDBWMIXLRFEAMS-UHFFFAOYSA-N 426.591 5.256 30 10 IKEE CCCC1CCC(C#N)(c2ncc(I)cc2Br)CC1 2133372508 CLALSULEYVKDMD-UHFFFAOYSA-N 433.131 5.200 30 10 IKEE N#Cc1c(F)cc(Br)cc1NC[C@@]12CCC[C@H]1CN(Cc1ccccc1)C2 2163689628 INRMIQJEDXWOQI-HTAPYJJXSA-N 428.349 5.174 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCc2ccc(F)cc21 2163700636 XQDJQOPDSVVJDI-NRFANRHFSA-N 431.305 5.695 30 10 IKEE C=CC1(C[C@@H](NCCC)c2cc(I)ccc2Br)CCC1 2168029381 VJRUJZSZQWKWDT-MRXNPFEDSA-N 448.186 5.841 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](CNc2cc(Br)cc(F)c2C#N)CC1(C)C 2172449225 NZIPCXBRMLZGKC-ZDUSSCGKSA-N 440.357 5.297 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1c1ccc(C#N)c(Br)c1 2174812499 LMFYVHIRAFPEIR-RBUKOAKNSA-N 434.378 5.079 30 10 IKEE CCCN(c1cc(Br)c(C#N)cc1F)C1CCN(C(=O)OC(C)(C)C)CC1 2174813461 WPYGJTOSWPMAPY-UHFFFAOYSA-N 440.357 5.076 30 10 IKEE CCCCCCCCC[C@H](O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248461039 POMOAFQECBGDPW-QHCPKHFHSA-N 433.633 5.942 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCC[C@]2(C)CNC(=O)OC(C)(C)C)c1 2258855883 LVRSXJYDJBJPNE-RPBOFIJWSA-N 443.588 5.714 30 10 IKEE CCCCCCC[C@@H](OCCCN)c1scc(Br)c1Br 2293647785 JXWLWSKZVJTRDN-CYBMUJFWSA-N 427.246 6.040 30 10 IKEE CCOc1ccc(C=C2SC(=Nc3ccccc3)N(CCOC)C2=O)c2ccccc12 2294025398 QXBDYDYTACEPOV-UHFFFAOYSA-N 432.545 5.489 30 10 IKEE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(C)C2=O)cc1C 2296545406 OVFOKMZBDXPYLK-UHFFFAOYSA-N 447.585 5.244 30 10 IKEE COc1ccc(C=NCC[C@@H](c2ccccc2OC)[C@@H]2CCOC(C)(C)C2)cc1OC 2297681095 ODWKEQAUZHUXKA-NHCUHLMSSA-N 425.569 5.510 30 10 IKEE O=C1C(=Cc2cccc3ccccc23)SC(=Nc2ccncc2Cl)N1C1CCCCC1 2314541675 AOWZKEPLKBMHPK-UHFFFAOYSA-N 447.991 6.825 30 10 IKEE C[C@@H]1CCc2c(C#N)c(NC(=O)C(=Cc3ccccc3)c3ccccc3)sc(=S)c2C1 2314792868 HTDFPYQWCCPJTM-QGZVFWFLSA-N 442.609 6.653 30 10 IKEE CCCCCOc1ccc(C=Nn2c(S)nnc2CCc2ccccc2)cc1OCC 2318414836 HVQBPNYCGIKDNN-UHFFFAOYSA-N 438.597 5.202 30 10 IKEE CCCOc1c(Cl)cc(C=Nn2c(S)nnc2Cc2ccc(F)cc2)cc1Cl 2318415618 RWXUHKCDJWJPNM-UHFFFAOYSA-N 439.343 5.275 30 10 IKEE COc1cccc(C=C2Oc3c(ccc4c3CN(CCc3ccc(Cl)cc3)CO4)C2=O)c1 2321928171 VEXRTOWSOYUOQF-UHFFFAOYSA-N 447.918 5.359 30 10 IKEE CCn1cc(C=C2Oc3c(ccc4c3CN(CC(C)C)CO4)C2=O)c2cc(OC)ccc21 2322071666 XFLZQIHUZFMFOW-UHFFFAOYSA-N 432.520 5.094 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(S)nnc2COc2cc(C)c(Cl)c(C)c2)cc1 2322234499 KKJVQXYFVQFWDR-UHFFFAOYSA-N 444.004 5.144 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(Br)cc1)C3=O)CN(CC(C)C)CO2 2322353671 JJAGPNVHVBAUGY-UHFFFAOYSA-N 428.326 5.182 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(Cl)cc2Cl)c1OCc1cccc(Cl)c1 2322391114 HOIQXANOOYISKW-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE CCCCCCCCN1COc2c(cc3c(c2C)OC(=Cc2ccc(OC)cc2)C3=O)C1 2322415714 GJHPCFDTQGBAGQ-UHFFFAOYSA-N 435.564 6.132 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C)cc2)c1OCC(=O)N[C@H](C)c1ccccc1 2322600673 YSSLCWOORHPVRW-HXUWFJFHSA-N 429.516 5.156 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccccc2OCc2c(Cl)cccc2Cl)c1C 2322833144 ZWXOJKXFWOFKEA-UHFFFAOYSA-N 439.382 7.702 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cc(Cl)ccc1OCc1ccccc1F 2322926379 PTWSOUPYXFVLIP-UHFFFAOYSA-N 445.317 6.925 30 10 IKEE CCCNC(=O)COc1ccc2ccccc2c1C=CC(=O)c1cc(C(C)(C)C)ccc1C 2322953200 DUEBTYHWXRNQIK-UHFFFAOYSA-N 443.587 6.247 30 10 IKEE O=C(C=Cc1cccc(OCc2cccc3ccccc23)c1)c1cccc(Br)c1 2323097892 FFWBBIZWLUIUPM-UHFFFAOYSA-N 443.340 7.077 30 10 IKEE Cc1cc(OC(=O)Cc2ccc(Cl)c(Cl)c2)cc2c1C(=O)C(=Cc1cccnc1)O2 2323419524 PIDCAGYETFYFIR-UHFFFAOYSA-N 440.282 5.461 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)C=Cc1ccc(C(C)(C)C)cc1 2323437660 HPSHZAGHDDEYIX-VWLOTQADSA-N 442.688 6.539 30 10 IKEE CCCOC(=O)COc1ccc(C=CC(=O)c2cccc(Br)c2)cc1Cl 2323652706 QKMCJANGSLGXCI-UHFFFAOYSA-N 437.717 5.331 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc(O)c2CN(Cc2ccccc2)C(C)C)C1=O 2324011922 AIECHXCCLJJUFW-UHFFFAOYSA-N 443.543 5.818 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OCC(=O)Nc1cccc(C)c1 2324195033 QWWJDYJIRQWUFF-UHFFFAOYSA-N 433.479 5.446 30 10 IKEE COc1ccc(OC)c(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(C(C)C)cc3)n2)c1 2324583916 RGUYFCAXEJEOTG-NRFANRHFSA-N 432.545 5.840 30 10 IKEE N#C[C@@H](C(=O)C=Cc1ccc(Cl)cc1Cl)c1nc(-c2ccc3c(c2)OCO3)cs1 2324623412 ROWMQOJKAPWHMD-HNNXBMFYSA-N 443.311 5.735 30 10 IKEE CCCOc1cccc(C=CC(=O)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 2325668847 CMDSDZVOUCPXAL-UHFFFAOYSA-N 445.359 5.734 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2Cl)C3=O)c1 2325721682 VVDDSZAAXMGIOT-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE COc1ccccc1C=C1Oc2cc(OCC(=O)Nc3cc(Cl)ccc3C)ccc2C1=O 2325723233 BYEWIEXSEHPDSU-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1cccc(C=CC(=O)c2ccc(Cl)cc2)c1 2325730326 FCVBJXPIXHTUKL-UHFFFAOYSA-N 434.919 6.309 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)c1C 2325737819 LTUNSJGLSBRKKB-UHFFFAOYSA-N 441.527 6.061 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(C=CC(=O)c3ccc(F)c(C)c3)ccc2OC)c1 2325741580 UCYLQTOPFAXVHM-UHFFFAOYSA-N 434.463 5.657 30 10 IKEE CCOc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c(C)c3C)c2)cc1 2325755507 LRKXYIMHTUOXFG-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1c(O)ccc2ccccc12 2326417818 MYYPMGMUJMPNOV-UHFFFAOYSA-N 444.604 6.271 30 10 IKEE Cc1ccc(CSc2nnc(C)n2N=Cc2ccccc2COc2ccccc2)c(C)c1 2326432984 GGFGOEXKUSOUAK-UHFFFAOYSA-N 442.588 5.957 30 10 IKEE CCCCCCCn1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2326951826 LVADBNBWDRFSGQ-UHFFFAOYSA-N 444.622 5.678 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCCCO)nnc2-c2ccccc2Cl)cc1 2329610745 GJAFWFORFGICFN-UHFFFAOYSA-N 444.988 5.134 30 10 IKEE Cc1ccc(O)c(C=Nn2c(Cc3ccccc3F)nnc2SCc2ccccc2C)c1 2329703529 SRQFSRCGOJXHPP-UHFFFAOYSA-N 446.551 5.505 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(Cc2ccccc2)nnc1SCc1ccccc1 2330491673 KLEUWNUXXCLIOD-UHFFFAOYSA-N 442.588 5.831 30 10 IKEE CCCOC(=O)CSc1nnc(-c2ccccc2)n1N=Cc1ccc(Cl)c(Cl)c1 2330707215 VUQWRFWIYQYVOR-UHFFFAOYSA-N 449.363 5.179 30 10 IKEE CCc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCC(=O)Nc2ccccc2)cc1 2330805347 XCBSPIDAPHSKFU-UHFFFAOYSA-N 435.597 5.042 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-])c1cccs1 2330810517 KDZGIVIBXIHAHB-UHFFFAOYSA-N 448.283 6.078 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3ccccc3F)c(OC)c2)cc1 2330951441 MMFKSVZDFVQWFB-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE Oc1cccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C2CCCC2)c1 2331096888 AMNNECMALOQYQL-UHFFFAOYSA-N 447.391 6.123 30 10 IKEE Fc1ccc(CSc2nnc(C(F)(F)F)n2N=Cc2ccc(Cl)c(Cl)c2)cc1 2331115939 QFLRDGNCKYJDLT-UHFFFAOYSA-N 449.260 5.917 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)c1ccccn1 2331128521 CLEGKBFOPPATMY-UHFFFAOYSA-N 442.298 5.902 30 10 IKEE CCOc1cc(C=Nn2c(SCc3cccc(C)c3)nnc2-c2ccco2)ccc1O 2331183318 UQQRUTYFTXYIJM-UHFFFAOYSA-N 434.521 5.125 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)cc2)ccc1F 2331332777 LPNHSVHQWGYXKY-HXUWFJFHSA-N 446.518 6.527 30 10 IKEE C=C(C)CSc1nnc(CC(C)C)n1N=Cc1ccc(N(CC)Cc2ccccc2)cc1 2331451318 QTYKIXIOCFZZNV-UHFFFAOYSA-N 447.652 6.054 30 10 IKEE CCOc1ccc(C=Nn2c(CC(C)C)nnc2SCc2ccc(Cl)cc2)cc1 2331468168 GUCWMTOTGJHZRP-UHFFFAOYSA-N 428.989 5.703 30 10 IKEE O=[N+]([O-])c1cccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CCC2)c1 2331541611 MVVVHMSBFHEIIV-UHFFFAOYSA-N 427.917 5.282 30 10 IKEE CCCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1N=Cc1ccc(CC)cc1 2331637193 NXLJWHBAUQJAHA-UHFFFAOYSA-N 435.597 5.023 30 10 IKEE COc1cccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2OC)c1 2331716321 QGIQXARHLBMNPP-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc([N+](=O)[O-])c1OC(=O)C(C)(C)C 2331774148 RMAPSWUAUOWOOW-UHFFFAOYSA-N 439.508 5.766 30 10 IKEE N#Cc1ccc(Br)cc1NCc1ccc(Cl)c(I)c1 2337226990 FTMQMKRKQIJCHA-UHFFFAOYSA-N 447.501 5.191 30 10 IKEE N#Cc1cc(Br)ccc1NCc1cc(I)ccc1Cl 2352448185 MYTWRXQFTUSEGI-UHFFFAOYSA-N 447.501 5.191 30 10 IKEE CCOc1cc(Br)c(Br)c(/C=N/c2ccc(C)c(Cl)c2)c1O 1883289 UMEVUHFVSWXQLC-DNTJNYDQSA-N 447.554 6.028 30 10 IKEE C=CCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2 2912920 BMLGVMAWAPMFMM-UHFFFAOYSA-N 434.948 5.567 30 10 IKEE Cc1cc(C(F)(F)F)c(C#N)c(SCCCC(=O)Nc2cccc(C(F)(F)F)c2)n1 27750776 ZJRCQOPRFCKGJU-UHFFFAOYSA-N 447.404 5.810 30 10 IKEE O=C1/C(=C/c2c(F)cccc2Cl)Oc2cc(OCc3ccc(F)cc3Cl)ccc21 38321037 RDYLZYRCFAPSJZ-FBHDLOMBSA-N 433.237 6.467 30 10 IKEE O=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)Oc2ccc(Br)cc21 39842555 WDXBATDPVKEEKI-NVMNQCDNSA-N 436.088 6.632 30 10 IKEE C=CCc1ccccc1OCCn1c(Cc2ccc(-c3ccccc3)cc2)nc2ccccc21 40210585 BQTPWMKVETXPSZ-UHFFFAOYSA-N 444.578 7.102 30 10 IKEE C[C@H]1CCc2c(C#N)c(NC(=O)C(c3ccccc3)c3ccccc3)sc(=S)c2C1 41011467 YZJLWIBWYKRTLU-INIZCTEOSA-N 430.598 6.245 30 10 IKEE COc1ccccc1C(=O)Oc1ccc2c(c1C)O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 41285694 JWLKQEFUOWBLTO-JLPGSUDCSA-N 442.511 6.137 30 10 IKEE COc1cccc(/C=C2\S/C(=N/c3ccc(C)c(C)c3)NC2=O)c1OCc1ccccc1 59224076 SWHRBJUDJHHYGW-HAHDFKILSA-N 444.556 5.783 30 10 IKEE C/C(=C\c1ccccc1)C(=O)Nc1cc(Cl)c([C@H](C#N)c2ccc(Cl)cc2)cc1C 59240872 IITAYKOUJYEQQQ-YAECTWJJSA-N 435.354 6.999 30 10 IKEE CCCCCCCC(=O)NC(=S)Nc1cccc(C(=O)Nc2cccc(Cl)c2)c1 100313099 JUXGNBMMJZEBQM-UHFFFAOYSA-N 431.989 5.766 30 10 IKEE CCCCCCCCCCCCCCCCCCCCCC(=O)Nc1cc(C)cc(C)c1 100461845 LPLOWYPMJSXAEH-UHFFFAOYSA-N 443.760 10.064 30 10 IKEE CCCCCCCn1c(CNC(=O)c2cccc(Br)c2)nc2ccccc21 102218971 ZRJANRQEPGHFQB-UHFFFAOYSA-N 428.374 5.699 30 10 IKEE C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1C/C(=C/c1ccc(OC(F)F)cc1)C2=O 118919569 PXDOMWMSMCFAEF-TWYIPQFBSA-N 444.562 6.254 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccc(OC)cc2)cc1 169922962 HCIUATGYAACESP-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(OCc3ccccc3Cl)cc2)NC(=S)N1 169938459 WUZXDXPJCFECFY-QHCPKHFHSA-N 448.975 5.595 30 10 IKEE COc1ccccc1-c1csc(N/N=C\c2ccc(OC)c(OC)c2Br)n1 169940159 WXMSVGPKIXPJFO-FBHDLOMBSA-N 448.342 5.044 30 10 IKEE CCCCCCCCCOc1ccc(C[C@@H]2[C@@H](O)C3CCN2CC3)cc1Br 169941649 CYQWCEZRXBQHRD-GGAORHGYSA-N 438.450 5.576 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccc(O)cc2)cc1 169959506 SLXNJVXJLZYLME-VWLOTQADSA-N 427.500 5.057 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2cccc(C)c2)cc1 169968647 HDQYPOBTYGWZLK-DEOSSOPVSA-N 438.483 5.268 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2cccc(C)c2)cc1 169971222 BCWCXQSVWSIQCN-HSZRJFAPSA-N 433.454 5.619 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2cccc(C)c2)cc1 169972086 APKLCWGQECHXCO-XMMPIXPASA-N 445.490 5.230 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccnc2)cc1 170002762 CMQQZZHKMSBWDS-QFIPXVFZSA-N 432.907 5.641 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1c[nH]c2ccccc12 170078515 HBMKUMXWLRDMHZ-HSZRJFAPSA-N 448.494 5.227 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2sccc2C)cc1C 170106219 NVNHWJQMEDRDGA-FQEVSTJZSA-N 448.500 5.364 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(O)cc2)c1 170132625 LHUDSYFJLPISBH-JOCHJYFZSA-N 449.890 5.227 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2c2cccc(C)c2)c1 170140895 KJMGYIIYJLYTDP-SANMLTNESA-N 437.539 5.965 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccncc2)cc1Cl 170203005 KQTNZODYTLNVFB-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2)cc1C 170230517 NPQXHGXXJVQPHI-HSZRJFAPSA-N 431.488 5.155 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccccc1C 170270773 XYZKFTJRJIZNSK-QHCPKHFHSA-N 445.490 5.542 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1C 170271996 URFZPBGBVPDRAZ-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccco2)cc1 170279389 ONKVEVJLPUZKGI-DEOSSOPVSA-N 438.483 5.282 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccco2)cc1Cl 170286588 BGGRKVOACHXDPF-IBGZPJMESA-N 444.270 5.378 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@H]2c2ccco2)cc1 170287713 YRBDJEOWCWLQGP-HSZRJFAPSA-N 431.488 5.467 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(C)o2)c1 170301297 RJFHPSGNDYZMDF-HSZRJFAPSA-N 447.487 5.168 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccc(C)o2)c(C)c1 170304928 ANKVWLJLCUQRHF-RUZDIDTESA-N 437.495 6.141 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccc(C)o2)c(C)c1 170304930 ANKVWLJLCUQRHF-VWLOTQADSA-N 437.495 6.141 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(N3CCCC3)cc2)[C@H]1c1ccccc1F)c1ccccc1 170380746 ZWEFTQBOTLUVBR-DEOSSOPVSA-N 442.490 5.209 30 10 IKEE Cn1cc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cccc(Cl)c2)c2ccccc21 170395909 WPXGDWJERPCMSC-OAQYLSRUSA-N 448.931 5.676 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2ccc(C(C)C)cc2)cc1 170452281 ZOPYUOXIHXKUHE-DEOSSOPVSA-N 434.580 5.781 30 10 IKEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN(Cc1ccccc1)Cc1ccccc1 313750147 MRNLGXDWYSEPEY-UHFFFAOYSA-N 427.397 5.497 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(Cl)cccc1Br 407160045 MTHDHRSZRYREQV-RDJZCZTQSA-N 431.802 5.613 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3Cl)[C@H]2c2cccc(F)c2)cc1 526490179 FAFUDFDZDGJXJY-OAQYLSRUSA-N 439.273 6.061 30 10 IKEE COc1ccc([C@@H]2C(c3cccc4ccccc34)=C(O)C(=O)N2c2cccc(C#N)c2)cc1O 526523246 VAAXFWOHVAASSR-AREMUKBSSA-N 448.478 5.483 30 10 IKEE CC(C)Oc1ccccc1[C@@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1ccc(F)cc1F 526709454 FUAARUBYLAMJBI-HSZRJFAPSA-N 449.453 5.535 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1ccc(C(F)(F)F)cc1 526811382 JEDKWDRQJDFPJN-VYYCAZPPSA-N 446.542 6.431 30 10 IKEE COc1ccc(/C=N\n2c(C)nnc2SCc2ccc(Cl)c(Cl)c2)c(OC)c1 526815241 UZRCOZXTQMUIQL-YVNNLAQVSA-N 437.352 5.085 30 10 IKEE CCc1nnc(SCc2ccccc2Cl)n1/N=C\c1c(Cl)cccc1Cl 526817007 SYAFNQWWWCBMLW-YVNNLAQVSA-N 425.772 5.975 30 10 IKEE Cc1nnc(SCc2ccc(Br)cc2)n1/N=C\c1cccc(OC(C)C)c1 526819189 DKSIIFIJKLBAFP-UUYOSTAYSA-N 445.386 5.311 30 10 IKEE Cc1[nH]c2ccccc2c1/C=N\n1c(C)nnc1SCc1ccc(Br)cc1 526820139 VHMUCEOKGMKGNM-JJFYIABZSA-N 440.370 5.313 30 10 IKEE COc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)[C@H](C)c1ccccc1 586157178 XSUWNODWFYAFBG-QGZVFWFLSA-N 440.952 5.172 30 10 IKEE N#Cc1cccc(NC(=O)Nc2ccc(C(=O)Nc3cccc(OC(F)(F)F)c3)cc2)c1 586722231 OACMOYVTYRPCBW-UHFFFAOYSA-N 440.381 5.353 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@H](C#N)c1ccc(Br)c(Cl)c1 698840046 NEJAULQRBRZENE-SFHVURJKSA-N 441.797 6.627 30 10 IKEE COc1ccc(-n2cc(/C=C3\COc4ccc(C)cc4C3=O)c(-c3ccc(C)cc3)n2)cc1 725335221 PKTQXDMMEWWIKL-PXLXIMEGSA-N 436.511 5.823 30 10 IKEE O=C(Nc1ccc(F)cc1)[C@H]1CC(=O)N(CCc2ccccc2)C(=Nc2ccccc2)S1 725441725 OWLXXMRZHQPMDM-JOCHJYFZSA-N 447.535 5.029 30 10 IKEE C[C@@]12CC[C@@]3(C)[C@@](C)(CC[C@]4(C)C(=O)/C(=C\c5cccnc5)C[C@@]43C)[C@@]1(C)CC[C@H](O)C2 1082488538 KJQCPCBMQUPVPN-LSQQAMHOSA-N 435.652 6.608 30 10 IKEE Cc1cc(C)nc(NN=Cc2cc(Br)c(Sc3ccc(Cl)cc3)o2)n1 1084323692 UCZZBAPEXGPJAC-UHFFFAOYSA-N 437.750 5.700 30 10 IKEE O=C(O)c1cccc(N=C2S/C(=C\c3ccc(Cl)cc3)C(=O)N2c2ccccc2)c1 1772736275 LNBYWFSISXFPNN-QUXILYDTSA-N 434.904 5.847 30 10 IKEE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNc1ccc(F)cc1)CCC2 1772748423 DADQIHNCKQZVMP-UHFFFAOYSA-N 441.890 5.794 30 10 IKEE C=CCN(CC=C)C(=O)Nc1ncccc1O[C@H](C)C(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 1858828032 WCVUBMHIUJBIPT-CUXKYVRBSA-N 443.588 5.059 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O 1859456611 XUQZILSJEVIVQP-UHFFFAOYSA-N 440.971 6.011 30 10 IKEE CCCOc1ccc(/C=C/C(=O)C(=O)Nc2ccccc2Oc2ccccc2)cc1OC 1860728936 YHBIWXRYCAIIHQ-FYWRMAATSA-N 431.488 5.497 30 10 IKEE CCCCCCCCNC(=O)[C@H](NC(=O)c1ccccc1OCC(C)C)c1ccccc1 1861356253 UDQSNSJUTSVUSL-RUZDIDTESA-N 438.612 5.669 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccc(OCCC)cc2)cc1 1862398838 XACYNZXJYFTUIO-XMMPIXPASA-N 435.564 5.805 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1c(F)cccc1Cl 1862406226 YFFGGFMTPMPWKX-NRFANRHFSA-N 445.918 5.565 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862562135 YLZGMDKYIOXFAC-UWSIMGETSA-N 446.591 5.723 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc2cc[nH]c2c1 1862584249 TXLYURZPEZDBIR-HXUWFJFHSA-N 443.330 5.853 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(C(C)(C)C)cc2)=C(O)C(=O)N1C1CCCCC1 1862613758 OYKCAVKSRUSVHD-DEOSSOPVSA-N 431.576 6.204 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862625370 DTCMQDRJKMQULU-OSPHWJPCSA-N 441.483 5.063 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2Cc2ccncc2)cc1 1862649167 ROFOKFMOLLWVNC-VWLOTQADSA-N 434.495 5.322 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(C(C)C)cc2)=C(O)C(=O)N1CCc1ccccc1 1862659661 BZMBCEVCPIOUCB-SANMLTNESA-N 439.555 5.939 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccccc1Br 1862670621 YKVBTVQNLMLVIW-LJQANCHMSA-N 428.326 5.171 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)cc1 1862672778 GSHLULQLJUIOLF-FYSMJZIKSA-N 447.481 5.867 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccccc1Cl)c1ccc(F)cc1 1862675666 QPPTYXSZFCNQIG-JOCHJYFZSA-N 435.882 5.300 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862677093 YWDGDXZSMHFBCI-QRQCRPRQSA-N 446.434 5.073 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCC(C)C)c1 1862715048 QIZUPHKSCDKRFC-RUZDIDTESA-N 443.543 5.863 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc([N+](=O)[O-])c1 1862717930 PCMSEHSNUNBGEI-IVZQSRNASA-N 430.460 5.125 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C(C)C)c1 1862718889 FNSKPYQQFJEOIK-XMMPIXPASA-N 429.516 5.615 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862720602 ZISSSKOQHHNLNG-CJAUYULYSA-N 441.571 6.514 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(O)cc1 1862724090 IYRNQMQXJFVSAE-DEOSSOPVSA-N 427.500 5.438 30 10 IKEE N#Cc1ccccc1NC1=C(c2c[nH]c3ccccc23)C(=O)N(C2CCCCCCC2)C1=O 1863501732 USLSFHOXNDSUHQ-UHFFFAOYSA-N 438.531 5.344 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)NCc1ccc2c(cnn2C)c1 1866030039 VOJHPXKUJOEEIN-UHFFFAOYSA-N 427.677 7.451 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3cc4ccc(C)cc4nc32)nc(-c2cccnc2)n1 1869359831 WYNOQEVJMGVRAA-UHFFFAOYSA-N 434.547 5.268 30 10 IKEE CCCCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CSc1ccccc1 1870235686 PAUFSTKRAIUUPZ-UHFFFAOYSA-N 443.697 7.706 30 10 IKEE CCCCCCCCCCn1cc(OCCO)c(=O)cc1CNc1cccc(Cl)c1 1870791789 MSQPTTIYDREPBR-UHFFFAOYSA-N 435.008 5.626 30 10 IKEE C=CCOc1cn(CCCCc2ccccc2)c(CNc2ccc(OCC)cc2)cc1=O 1870809832 XSJJGCAVROXYMN-UHFFFAOYSA-N 432.564 5.447 30 10 IKEE C#CCOc1cn(CCCCCCCC)c(CNc2ccc(Cl)c([N+](=O)[O-])c2)cc1=O 1871006915 BJLMQUBVRAYWDC-UHFFFAOYSA-N 445.947 5.395 30 10 IKEE C=CCn1cc(OCc2ccccc2C)c(=O)cc1CNc1ccc(OCC)c(OCC)c1 1871079743 XPKXZBZDHQIVJA-UHFFFAOYSA-N 448.563 5.331 30 10 IKEE CCCCC[C@H](CC)N1COc2c(cc3c(c2C)O/C(=C\c2cccc(OC)c2)C3=O)C1 1871353544 SAHPLSOISKKBBQ-ZJVWCJDDSA-N 435.564 6.131 30 10 IKEE COc1ccc([C@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2ccccc2Cl)C4=O)cc1 1871354014 FADVNRIKTFAHDZ-XLFQKYORSA-N 447.918 5.878 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc(OC)cc4)cc(C)c3C2=O)cc1 1871377111 VLKQDTSFSINTRM-QIIGYZROSA-N 440.495 5.801 30 10 IKEE Cc1cc(OC(=O)CCc2ccccc2)cc2c1C(=O)/C(=C/c1cn(C)c3ccccc13)O2 1871385926 UGLXKSMNJPNEIW-MYYYXRDXSA-N 437.495 5.641 30 10 IKEE COc1ccccc1/C=C1\Oc2c(ccc(O)c2CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)C1=O 1871394220 LPIGZJGZTHQJIS-PAHWYTHNSA-N 433.548 5.418 30 10 IKEE CCOc1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(CC)cc1)C2=O 1871417544 DDTMXOHLJNHOOL-MYYYXRDXSA-N 443.499 5.281 30 10 IKEE Cc1ccc(CCOc2ccc3c(c2C)O/C(=C\c2c(Cl)cccc2Cl)C3=O)cc1 1871437537 GNJBXOYMGLODFV-UCQKPKSFSA-N 439.338 6.848 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccc2c(c1C)O/C(=C\c1cccc(F)c1)C2=O 1871440610 YCHKRHOQFSMJCF-XKZIYDEJSA-N 431.463 5.385 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(C)cc2)[nH]c(N(CCC)CCCC)n1 1871476258 IDSDSAPYDYDGPD-UHFFFAOYSA-N 426.653 6.134 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(C)cc2)[nH]c(N(C)CCCC)n1 1871479538 YAXMSUGLPCFUSL-UHFFFAOYSA-N 426.653 6.134 30 10 IKEE CCCCCCCCCCN=c1nc(N2CCCCC2)[nH]c(=Nc2cccc(C)c2C)[nH]1 1871595048 ZAJVSRDWDVATHP-UHFFFAOYSA-N 438.664 5.619 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccccc1CC)S(=O)(=O)c1ccc(F)cc1 1872468284 AGLINSCTJCGMKS-HSZRJFAPSA-N 446.588 5.008 30 10 IKEE C=CCN([C@H](CCC)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)c(C)c1 1872496502 HZFKGDWEFNHODA-JOCHJYFZSA-N 449.016 5.249 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(Cl)c(Cl)c3)n2)cc1 1872768013 HMUFCOATFIILEA-PEJPJJPESA-N 443.355 6.405 30 10 IKEE COc1cc(OC)c(-c2csc([C@@H](C#N)C(=O)c3ccc4cc[nH]c4c3)n2)cc1Cl 1872783204 UQXBGVCWZOFQPT-HNNXBMFYSA-N 437.908 5.452 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)/C=C/c2ccc(C(C)C)cc2)n1 1872785539 PHQSOXWKDXJTQB-ZXFWNXIDSA-N 442.628 7.429 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@H](C#N)C(=O)c2cccc(OCC(C)C)c2)n1 1872787927 BGOVTYSFMUIJDP-LJQANCHMSA-N 440.952 5.997 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc2nc(Cc3ccc(OCCC)cc3)[nH]c2c1 1872810813 FGUCZYDXCPFAHB-UHFFFAOYSA-N 449.639 6.813 30 10 IKEE CCCCCCCCCCNC1=C(c2cccnc2)C(=O)N([C@H]2CCCC[C@H]2C)C1=O 1873076898 ITDNYIAYDWMOPU-IRLDBZIGSA-N 425.617 5.471 30 10 IKEE C=CCn1c(C(=O)Nc2ccccc2CC)cc2c(NCCCOCCCC)ncnc21 1873607954 CBFIBOTYCYHETA-UHFFFAOYSA-N 435.572 5.051 30 10 IKEE C=CCSc1nnc(COc2ccc(OC)cc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874293842 XWVKCGVVECTWCR-PCLIKHOPSA-N 436.581 5.324 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3ccccc3C)nnc2-c2ccccc2Cl)cc1 1874364496 GHDTWILDKVXCLI-JVWAILMASA-N 447.007 6.644 30 10 IKEE Clc1ccccc1-c1nnc(SCc2ccccc2)n1/N=C/c1c[nH]c2ccccc12 1874367395 ZZHSHXRWINHWDM-JFLMPSFJSA-N 443.963 6.254 30 10 IKEE CN(C)c1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SCc2ccccc2)cc1 1874375700 JENDNSGSHZIXAM-WPWMEQJKSA-N 445.567 5.249 30 10 IKEE CCOc1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2)cc1 1874379615 CEEKNPYMNKSHLJ-WPWMEQJKSA-N 446.551 5.581 30 10 IKEE O=C(O)c1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCCc2ccccc2)cc1 1874408251 NHNWRPWIPYGBBX-NLRVBDNBSA-N 448.592 5.316 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccccc3C)nnc2-c2cccs2)cc1 1874420964 NNKIQKYAQWETEB-BUVRLJJBSA-N 434.590 5.888 30 10 IKEE CC(C)(C)c1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(Cl)cc1 1874486301 KXDKEJNXEAPVJU-BHGWPJFGSA-N 437.371 6.196 30 10 IKEE CCCc1nnc(SCc2ccccc2)n1/N=C/c1cc(Br)ccc1F 1874507479 FUQFYQRHIGPBKB-WSDLNYQXSA-N 433.350 5.307 30 10 IKEE C=C(C)CSc1nnc(CCC)n1/N=C/c1ccc(N(CC)Cc2ccccc2)cc1 1874507572 KAVAXPZVVUDXEP-YZSQISJMSA-N 433.625 5.808 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(SCc2ccccc2F)nnc1C(C)C 1874513764 OQSVWLDJJPQSBC-VULFUBBASA-N 434.540 5.877 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2c(OCCO)ccc3ccccc23)cc1 1874584194 BJOYYIMTNLCRPU-WUKNDPDISA-N 432.560 6.456 30 10 IKEE CCCOc1ccc(Br)cc1/C=C/C(=O)c1ccc(Oc2ccccc2)cc1 1874585015 IFZSWLMAUPKGEQ-GXDHUFHOSA-N 437.333 6.926 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cc(Br)ccc1OCCCO 1874589537 QJFVWWCHPLYPLI-GQCTYLIASA-N 439.733 5.077 30 10 IKEE COC(=O)c1ccc(COc2cccc(/C=C/C(=O)c3cc(C)c(Cl)cc3OC)c2)o1 1874600522 QHAABRDRIAVRKG-VQHVLOKHSA-N 440.879 5.512 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)ccc1OCC(=O)Nc1nccs1 1874604813 GNLJHVZUVYIRCN-YRNVUSSQSA-N 436.533 5.018 30 10 IKEE CCCOC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc1OCC 1874606868 KOAXSYMMZBOHIK-VQHVLOKHSA-N 446.927 5.284 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OCC(=O)Nc1ccccc1F 1874620317 SRQNYPXGTXQIBR-YRNVUSSQSA-N 437.442 5.195 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OCc1c(F)cccc1Cl 1874622916 CAKPYWAYFHRIEW-WYMLVPIESA-N 446.905 7.116 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)c1)c1cccc([N+](=O)[O-])c1 1874692344 BDNZRYHIWMHPGW-QFBGAIGZSA-N 447.874 5.853 30 10 IKEE O=C(COc1cc(F)ccc1F)Oc1cccc(/C=C/C(=O)c2ccc3ccccc3c2)c1 1874693734 TVQXVGRTPUBUKE-MDWZMJQESA-N 444.433 5.999 30 10 IKEE CCOc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)c2)cc1 1874693854 ZJWHLMVOSHWSFD-SFQUDFHCSA-N 440.539 6.008 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCc3cccc(OC)c3)c2)cc1 1874696001 DCKHVVFUQIDCGS-NBVRZTHBSA-N 442.555 6.472 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1cccs1 1875098149 VGVOPIZOUSIGFX-UKTHLTGXSA-N 432.541 6.141 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1ccc(F)cc1 1875098711 ITYBYEAFORQUDI-MKMNVTDBSA-N 430.475 5.828 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OC(=O)c1ccc(Cl)cc1 1875112685 GFGJRCDCIJTTTN-LNKIKWGQSA-N 436.891 5.863 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3c(F)cccc3Cl)c(OC)c2)cc1 1875114918 CZMMNQDOMARKQY-WUXMJOGZSA-N 440.854 5.612 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(OC)c(OC(=O)c2ccc(C)c(C)c2)c(OC)c1 1875118618 GKBOEJVKYKEUPS-ACCUITESSA-N 446.499 5.445 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)c1cccnc1 1875123151 CXUSRIKCTOYXBP-BQYQJAHWSA-N 428.271 5.512 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1Br 1875128231 UCMOZEIFWREFJU-XYOKQWHBSA-N 439.280 5.632 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)CCc1ccccc1C 1875136657 FGMHQHNLBIABGE-LFIBNONCSA-N 428.528 6.136 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3OC)cc2)cc1OC 1875143905 WXDMYTROFWYSKS-XYOKQWHBSA-N 446.499 5.065 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc([N+](=O)[O-])c1OC(C)=O 1875185133 IENMXLKPXPCYAP-PKNBQFBNSA-N 425.481 5.421 30 10 IKEE CCCC(=O)Oc1c(OCC)cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)cc1[N+](=O)[O-] 1875188787 JKUNHAOLDWCXOJ-VQHVLOKHSA-N 447.871 5.257 30 10 IKEE CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1880354559 VJBNFJCEWMTFBO-NBGIEHNGSA-N 443.588 5.351 30 10 IKEE N#CC1(c2ccccc2)CCN(C(=O)c2ccc(Br)c(C(F)(F)F)c2)CC1 1890916953 HMKWKYOIDBJWBI-UHFFFAOYSA-N 437.259 5.165 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 1922087277 XMUBAVFBFVLICN-MVERNJQCSA-N 428.617 5.307 30 10 IKEE CC1(C)CN(C(=O)OC(C)(C)C)C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C1 1922770773 BXGUOKUKBVJGAL-DEOSSOPVSA-N 447.551 5.497 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@]1(C#N)CN(Cc2ccccc2)C2(CCCC2)C1 1934841071 BGYKBVFGPJRZRC-NDEPHWFRSA-N 445.607 5.905 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@@]2(C#N)N(CC2CC2)C(=O)OC(C)(C)C)C1 1950309129 SQRCLLQUYKASCW-RPWUZVMVSA-N 433.593 5.097 30 10 IKEE C[C@@H]1CC[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)[C@@H](OCc2ccccc2)C1 1953269987 RXGJZCWWOWCCQX-QURRFSBHSA-N 434.580 6.091 30 10 IKEE CC(C)(C)OC(=O)NCC1CC2(C1)CC(C#N)(N(C(=O)OC(C)(C)C)c1ccccc1)C2 2046444501 FPHOYEKEOIVGKR-UHFFFAOYSA-N 441.572 5.405 30 10 IKEE Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)C=C/C=C/c1ccc(N(C)C)cc1 2059964674 FOGDMDKUICLTOJ-NNUXYFOWSA-N 442.506 6.656 30 10 IKEE C#CC(C)(C)C[C@@H](NCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071264936 MHNMFBKKBYFCRE-AREMUKBSSA-N 427.588 6.545 30 10 IKEE Fc1ccc(C(F)(F)F)c(Cn2nc(C3CCC3)c(C(F)(F)F)c2Br)c1 2079822659 KNHISPJPSSNMIP-UHFFFAOYSA-N 445.176 6.138 30 10 IKEE CCCc1ccc([C@@H](C2CC2)n2nc(C3CC3)c(C=NO)c2I)cc1 2079847827 YXWCVXBATAGILJ-IBGZPJMESA-N 449.336 5.125 30 10 IKEE OCc1c(C(F)(F)F)nn([C@@H](c2ccc(C(F)(F)F)c(F)c2)C2CCC2)c1Cl 2079855877 PACNABHFAYGNPZ-CYBMUJFWSA-N 430.751 5.595 30 10 IKEE Cc1ccc([C@@H](n2nc(C(C)(C)C)c(C=NO)c2Br)C2(C)CC2)c(F)c1F 2079939916 URCXTNIIUYQXTM-QGZVFWFLSA-N 440.332 5.727 30 10 IKEE CC(C)c1ccc([C@@H](C2CCC2)n2nc(C(F)(F)F)c(C#N)c2Br)cc1 2079981051 MXQNCJYJTLISEJ-MRXNPFEDSA-N 426.280 6.049 30 10 IKEE COc1ccc([C@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C(C)(C)C)cc1C 2079985232 NDYSOYNVULMBJM-SFHVURJKSA-N 434.378 5.458 30 10 IKEE Fc1cc(-c2c(C(F)(F)F)nn3c(Cl)c4c(nc23)CCSC4)c(F)c(F)c1F 2081323515 NATMTOVSHNWPGU-UHFFFAOYSA-N 441.759 5.414 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1c1c(C2CCCCC2)nn2c(Cl)c(C#N)cnc12 2081495393 ZEQLQESKJFDBQX-KRWDZBQOSA-N 443.979 5.764 30 10 IKEE CC(C)N[C@@]1(C#N)C[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)CCC1(C)C 2099186492 XKNOEKUEVRKYPF-LMSSTIIKSA-N 446.683 5.460 30 10 IKEE C=CCN(CC[C@H](Cc1cccc(Br)c1)NCCC)C(=O)OC(C)(C)C 2099288976 WFJFGOLRRFSEST-LJQANCHMSA-N 425.411 5.173 30 10 IKEE COc1cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)ccc1C 2149627701 LGWXQZDJKNMIPD-SFHVURJKSA-N 431.330 5.773 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)C1(C#N)CC2(CCCCCC2)C1 2164749427 OHJGEJAZRPRGPA-UHFFFAOYSA-N 433.390 6.587 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@](C)(C#N)c1ccc(CN)cc1 2187552722 QATYZZQEFRPXCF-OAQYLSRUSA-N 430.346 5.088 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCN[C@@H](C2CCC2)C1 2194162173 YNJYOFLADNXKFQ-NQIIRXRSSA-N 434.378 5.005 30 10 IKEE CN(c1cc(Br)c(C#N)cc1F)[C@H]1CCCC[C@H]1N(C)C(=O)OC(C)(C)C 2203606255 KMUDCIDYPVTQEK-DLBZAZTESA-N 440.357 5.074 30 10 IKEE CN[C@H](C#Cc1cccc(Cl)c1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2212499700 UWIGHUUVDODOSH-QHCPKHFHSA-N 426.988 5.497 30 10 IKEE C=CCCCCCCC[C@H](N)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2220083347 FUEORKYXNZLFDW-RPLLCQBOSA-N 444.660 6.074 30 10 IKEE C=CCCCCCCC[C@H](NCC)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2220094924 XQNOULDIPBVCSV-VJTSUQJLSA-N 446.676 6.380 30 10 IKEE CCN[C@H](CC=CC#CC(C)(C)C)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2248473701 KIHHLHXQKVUFGC-XMMPIXPASA-N 426.645 6.178 30 10 IKEE N[C@H](C#Cc1ccc(Br)cc1)c1cc(Br)sc1Br 2264143449 KKQNRMDUURETIU-LLVKDONJSA-N 449.993 5.087 30 10 IKEE NCCO[C@@H](CC#CC1CC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2276272600 NBFIPDSZWDDBLU-MHZLTWQESA-N 441.571 5.665 30 10 IKEE C=C(C)CCCC[C@H](OCC(=O)O)c1cc(Br)c(Br)s1 2292716156 XVAQHUJKIJAVKV-NSHDSACASA-N 426.170 5.552 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(Nc2ccc(Br)cc2)C[C@@H]1C(F)(F)F 2294636978 PPKMJXSWVZKOAU-RHSMWYFYSA-N 448.283 5.085 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C(=O)C#Cc2cccc(Br)c2)(C(C)(C)C)C1 2296225019 QDIBIPFDOIBDDG-JOCHJYFZSA-N 434.374 5.043 30 10 IKEE Cc1ccc(C)c2c1NC(=O)C2=C1SC(=Nc2ccccc2)N(c2ccccc2)C1=O 2297450958 UPYQLDIQRLVHEO-UHFFFAOYSA-N 425.513 5.434 30 10 IKEE CCOc1cc(N(CC)CC)ccc1C=C1SC(=Nc2ccc(OC)cc2)N(C)C1=O 2297462724 CHLBOIBYKICALE-UHFFFAOYSA-N 439.581 5.174 30 10 IKEE CC(C)(C)OC(=O)NC1([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)CCCC1 2302437747 RHLWYCDNBSJTAN-IBGZPJMESA-N 435.609 5.676 30 10 IKEE O=C1C(=Cc2c(F)cccc2Cl)Oc2cc(OCc3c(Cl)cccc3Cl)ccc21 2314438200 LCCZNUHXWOWHGG-UHFFFAOYSA-N 449.692 6.981 30 10 IKEE CN1C(=O)C(=Cc2cccc(OCc3ccc(Cl)cc3)c2)SC1=Nc1ccccn1 2314541393 LCKKURUKPNPKAU-UHFFFAOYSA-N 435.936 5.548 30 10 IKEE N#Cc1cc(Br)cnc1Oc1cc(Br)cc(Br)c1 2316720007 KVVHWUBKLAJIAO-UHFFFAOYSA-N 432.897 5.033 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccccc1OC(C)C 2321048208 XMULMFCCYPABNE-UHFFFAOYSA-N 449.407 6.109 30 10 IKEE Cc1ccc(CN2COc3cc(C)c4c(c3C2)OC(=Cc2ccc([N+](=O)[O-])cc2)C4=O)cc1 2321958666 AJXUAFPIJVANNM-UHFFFAOYSA-N 442.471 5.180 30 10 IKEE CCCCCCN1COc2ccc3c(c2C1)OC(=Cc1ccccc1Br)C3=O 2322083014 RNFPMSVPBBCSNF-UHFFFAOYSA-N 442.353 5.798 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCc2ccc(Cl)cc2)c1 2322371863 ZXPYCYXXXMTYGX-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE O=C(C=Cc1c(OCc2ccccc2Cl)ccc2ccccc12)c1ccccc1Cl 2322436486 NLVUAQAVYVBKFI-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE COc1ccc([C@H](C)N2COc3c(cc4c(c3C)OC(=Cc3ccccc3C)C4=O)C2)cc1 2322437677 AZFNDHVYMMIDAO-IBGZPJMESA-N 441.527 5.841 30 10 IKEE COc1ccc([C@@H](C)N2COc3c(cc4c(c3C)OC(=Cc3ccc(C)o3)C4=O)C2)cc1 2322437883 UWMLDNLWGBZHOL-QGZVFWFLSA-N 431.488 5.434 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1F 2322484037 FZGJCVSDAHXBHK-UHFFFAOYSA-N 439.870 5.401 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 2322586222 IXUBHQQYDYWQRD-UHFFFAOYSA-N 441.752 6.886 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2ccccc2F)c1 2322617489 XRZKVTVOYQSGDF-UHFFFAOYSA-N 437.898 6.010 30 10 IKEE COc1ccccc1C(=O)Oc1cc(C)c2c(c1)OC(=Cc1c(F)cccc1Cl)C2=O 2322698863 YWSBXPBPRRRQEM-UHFFFAOYSA-N 438.838 5.632 30 10 IKEE COC(=O)c1ccc(COc2ccc(Cl)cc2C=CC(=O)c2ccc(C(C)C)cc2)o1 2322737823 XCZYDMVJUMPVPV-UHFFFAOYSA-N 438.907 6.318 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)c3cc4cc(Cl)ccc4o3)cc(C)c2C1=O 2322853652 UECNJWLVQSVSCI-UHFFFAOYSA-N 444.870 6.538 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)N[C@@H](C)c3ccccc3)c2)cc1C 2323078857 KMUKYVLKYMAGSY-FQEVSTJZSA-N 429.516 5.156 30 10 IKEE O=C(COc1cccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)c1)NCc1ccccc1 2323149771 QOOFFRALCIDFOD-UHFFFAOYSA-N 440.326 5.585 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2C1=O 2323231730 IMQGNGNXSIZVQP-UHFFFAOYSA-N 441.848 5.454 30 10 IKEE C=C(C)COc1c(OC)ccc(C=CC(=O)c2cc(C)cc(C)c2OC)c1Br 2323259769 GCZYRGULALNMJA-UHFFFAOYSA-N 445.353 5.934 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1Cl 2323310595 PGHLOIBTJPCPPQ-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE CCCOc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(OC)c2)C3=O)c1 2323831875 MZFTYRVDFHYWSH-UHFFFAOYSA-N 444.483 5.628 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OCc1cccc(Cl)c1 2323908959 HZHWDEMBMAJOID-UHFFFAOYSA-N 441.354 7.176 30 10 IKEE O=C(C=Cc1ccc(OCc2c(F)cccc2Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 2324187129 ZLIAGOVKBWBUDK-UHFFFAOYSA-N 429.806 6.002 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OCc1cc(C)ccc1C 2324197042 GUXXQIOGHZFNRM-UHFFFAOYSA-N 430.519 6.655 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(F)c(Cl)c4)cc(C)c3C2=O)o1 2325603899 LPAXREBQTNMZCB-UHFFFAOYSA-N 441.842 5.323 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1c[nH]c2ccccc12 2325610363 PZWINCRXTKLTDG-UHFFFAOYSA-N 430.364 5.803 30 10 IKEE CCCCCOc1ccc(C=Nn2c(C)nnc2SCc2cccc(F)c2)cc1OC 2325622912 BBIUGYWQMKKDFQ-UHFFFAOYSA-N 442.560 5.478 30 10 IKEE COc1ccc(CCOc2ccc3c(c2)OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)cc1 2325631285 AABKCLIJBRGSRA-UHFFFAOYSA-N 428.528 6.230 30 10 IKEE O=C(Cc1ccccc1Cl)Oc1cccc(C=CC(=O)c2ccc(Cl)cc2Cl)c1 2325709105 YQVHIXCXVDDBQO-UHFFFAOYSA-N 445.729 6.691 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1OC(=O)c1ccc(Cl)cc1 2325729266 ZHDJILRQUCZKEA-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE Cc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)c2)c(C)c1 2325756783 RKHCYYFFLXLMHG-UHFFFAOYSA-N 442.555 6.418 30 10 IKEE COc1ccccc1CCC(=O)Oc1cccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)c1 2325756900 ANSVJNSRBWKDRH-UHFFFAOYSA-N 442.555 6.363 30 10 IKEE CCCOc1ccc(C=Nn2c(CCC)nnc2SCc2ccccc2)cc1Cl 2326220694 WHQSVURFIZRZGB-UHFFFAOYSA-N 428.989 5.847 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccccc1OCC(C)C 2326386014 LHYPKZGKHIFTGO-UHFFFAOYSA-N 436.625 6.138 30 10 IKEE Cc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccccc1OCC(C)C 2326567793 ZZOWXNHIHHUVOW-UHFFFAOYSA-N 432.952 5.588 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccc(OCC(C)C)cc1 2326601015 YVCVMIMPFQUDBD-UHFFFAOYSA-N 436.625 6.057 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@H](C#N)[C@]12C[C@H](CCN1C(=O)OC(C)(C)C)C2 2326632420 XXWPNCPZCSYSAG-XKPFWTEKSA-N 445.535 5.249 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1ccc(Cl)cc1Cl 2326683457 WKPUJIRSDYHQBI-UHFFFAOYSA-N 444.391 5.974 30 10 IKEE CCCOc1cccc(C=Nn2c(Cc3cccc4ccccc34)nnc2SCC)c1 2327737587 VXUATYBLHJHEGW-UHFFFAOYSA-N 430.577 5.805 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccc(F)cc3)n2N=Cc2cccnc2)cc1C 2328776831 ALLDPBXJSOVNAK-UHFFFAOYSA-N 447.539 5.183 30 10 IKEE Cc1cccc(OCc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccncc2)c1C 2328829512 WOWAGJCCDVAMRF-UHFFFAOYSA-N 447.539 5.183 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3C)n2N=Cc2ccc(F)cc2)cc1 2329465427 BEDRZVINYWWKNW-UHFFFAOYSA-N 444.579 5.994 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)Cc1ccc(C)cc1 2330701152 IRQDNJUSYLVHQH-UHFFFAOYSA-N 440.539 5.927 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2cccc(OC)c2)cc1Br 2330785721 WMIXKUOCTSKXBY-UHFFFAOYSA-N 445.353 6.230 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3ccc(C)cc3)c(OC)c2)cc1C 2330856643 GDJPCRRCZKEDNS-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3cccs3)c(OC)c2)cc1 2330951488 WRQAPGHEBVVOLG-UHFFFAOYSA-N 428.893 5.534 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)c1cccc(OC)c1 2331231390 QTNJCCLVTDLPFO-UHFFFAOYSA-N 430.500 5.826 30 10 IKEE Cc1ccc(C=Nn2c(SCC(=O)Nc3ccc(C)cc3C)nnc2-c2ccco2)cc1 2331231521 VETCCTHIJUHAMD-UHFFFAOYSA-N 445.548 5.076 30 10 IKEE CCCCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1cc(C)ccc1O 2331343831 WBGSVAXPEVLFIT-UHFFFAOYSA-N 449.407 6.116 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1cc(Cl)ccc1O 2331348937 CMTGJBMOHVDHQX-UHFFFAOYSA-N 435.380 5.808 30 10 IKEE Cc1ccc(CSc2nnc(C(C)(C)C)n2N=Cc2ccc(Br)cc2)cc1 2331358841 UFJIAKZNDNKGOO-UHFFFAOYSA-N 443.414 5.821 30 10 IKEE CCCC(=O)Oc1c(Br)cc(C=CC(=O)c2cc(C)ccc2OC)cc1OC 2331366366 RZDYJOUHBODXEG-UHFFFAOYSA-N 447.325 5.376 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc([N+](=O)[O-])c1OC(=O)C(C)C 2331418300 OOVFVBCYGUVVJF-UHFFFAOYSA-N 439.508 5.749 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OC 2331510582 YTAKNOVLBVNBRW-UHFFFAOYSA-N 436.592 7.371 30 10 IKEE C[C@@H](C(=O)Oc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1Cl)c1ccccc1 2331557668 XVBOEPJNRJABKM-OAHLLOKOSA-N 426.846 6.223 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)c1ccncc1 2331571125 RLISHDMVMREHPI-UHFFFAOYSA-N 435.426 5.212 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(C=CC(=O)c3ccc(Oc4ccccc4)cc3)cc2)c1 2331592336 WYPYTUFECANJCU-UHFFFAOYSA-N 448.518 7.211 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cc(Cl)c(OC(=O)C(F)(F)F)c(OC)c1 2331871090 SGXHLJYKTDDJGS-UHFFFAOYSA-N 449.208 5.374 30 10 IKEE Cc1cc(NC(=O)OC(C)(C)C)cc(Oc2cc(B3OC(C)(C)C(C)(C)O3)cc(C)n2)c1 2337037307 CLGLLENDEKNBRU-UHFFFAOYSA-N 440.349 5.137 30 10 IKEE COC1(C#C[C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCCC1 2338301722 UATIOCDYHTZCAM-SANMLTNESA-N 442.555 5.841 30 10 IKEE CCCCCCCCCC[C@H](O)c1cc(Br)ccc1OCc1ccccc1 2361176605 GLJHVJXAFVMRIT-QHCPKHFHSA-N 433.430 7.592 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(Nc2cc(Cl)c(C)cc2Br)n1 2362160267 PXIHJNHYJCSQFZ-UHFFFAOYSA-N 437.574 5.157 30 10 IKEE CCCN[C@H](C#CC(C)(C)OC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2363518250 MXDYSTMVLCDTDB-QGZVFWFLSA-N 439.394 5.265 30 10 IKEE CC1(C)OB(/C=C/c2ccc(N[C@@H]3CCCCCN(Cc4ccccc4)C3)nc2)OC1(C)C 2365055550 QFPOMUMMQYJMFM-GQRCBVMOSA-N 447.432 5.583 30 10 IKEE CCOc1cc(Br)cc(/C=N/c2cc(C(C)(C)C)cc(Cl)c2O)c1O 1924006 IHRBIIRXMWOESM-LSHDLFTRSA-N 426.738 5.961 30 10 IKEE CCCCCCCCCCc1ccc(-c2ccc(C(=O)N[C@@H](C)C(=O)OCC)cc2)cc1 8383690 ZEKHYCOBVASXFI-QFIPXVFZSA-N 437.624 6.718 30 10 IKEE CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(N(CC)CC)cc1 9861347 CIVIGKKKQJSWFA-NDEPHWFRSA-N 445.607 6.230 30 10 IKEE c1ccc(CC(Cc2ccccc2)=NNc2n[nH]c(SCCOc3ccccc3)n2)cc1 20908914 JSFNBWXQVQRCTM-UHFFFAOYSA-N 443.576 5.229 30 10 IKEE CC(C)COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(C(C)C)cc2)cc1 21223192 BLNFPKSVWBIGNL-VWNXMTODSA-N 431.576 5.849 30 10 IKEE CCCOc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(OC(C)C)cc1)C2 21233471 MKMZJFXKLQVVJP-UGKGYDQZSA-N 433.548 5.267 30 10 IKEE CCn1nc(C)c(CCN/C(=N/C(=O)c2ccc(C(C)(C)C)cc2)Nc2ccccc2)c1C 32973125 ZIRVADNXAHSVHB-UHFFFAOYSA-N 445.611 5.258 30 10 IKEE CCCN1C(=O)/C(=C\c2ccc(Br)o2)S/C1=N/c1ccc(OCC)cc1 33293850 QLLQUGNDJAOTRH-OFOOKQEASA-N 435.343 5.455 30 10 IKEE Cc1cc(C)cc(/N=C2\NC(=O)/C(=C\c3ccc(Sc4nc5ccccc5[nH]4)o3)S2)c1 33293970 KZIINDMBOKQGRM-XDHOZWIPSA-N 446.557 5.816 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCC(=O)c4ccc(Br)cc4)ccc3C2=O)c1 33514007 JBJMSHIZTIIVHU-FMCGGJTJSA-N 449.300 5.635 30 10 IKEE N#CCCn1cc(/C=C(/CCC(=O)O)c2nc3ccccc3s2)c(-c2ccccc2)n1 33578967 NORFXVIFKOOPFM-SDXDJHTJSA-N 428.517 5.479 30 10 IKEE O=C1/C(=C\c2ccc(-c3ccc(Br)cc3C(=O)O)o2)Sc2ccccc21 35387622 YUGDJXPDQBBXSE-VCHYOVAHSA-N 427.275 5.737 30 10 IKEE C=CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCOC(C)C)cc1 39839385 IXTZDTQTZSMYLP-XMMPIXPASA-N 447.531 5.027 30 10 IKEE O=C1N/C(=N\N=C\c2ccc(-c3ccccc3)o2)S[C@@H]1Cc1ccc(Cl)cc1Cl 39888238 LZDOGRFRMSDAQR-QVHMZZSFSA-N 444.343 5.418 30 10 IKEE C=C(C)C(=O)N[C@@H](C)c1nc2ccccc2n1CCCCOc1cc(C)c(Cl)c(C)c1 40191297 MXODRMHQCMGIMY-IBGZPJMESA-N 439.987 5.919 30 10 IKEE Cc1ccc(CN2COc3cc(C)c4c(c3C2)O/C(=C\c2ccc(C(C)C)cc2)C4=O)cc1 41645815 DVKVJAAKZZNLRR-WGARJPEWSA-N 439.555 6.395 30 10 IKEE CC(C)(C)c1cc(/C=N/C(C(=O)O)(c2ccccc2)c2ccccc2)c(O)c(C(C)(C)C)c1 43763960 KISOGYZKVFARFS-NDZAJKAJSA-N 443.587 6.435 30 10 IKEE CCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(c2ccccn2)CC1 47163526 YIFHZEQTEQMQFR-UHFFFAOYSA-N 438.579 5.122 30 10 IKEE C=CCOc1cccc(NCC(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)c1 66064625 CUQXOKWREIHTAV-UHFFFAOYSA-N 441.959 5.018 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2cc(Cl)ccc2Cl)cc1 100154191 QQJBDRANRNLSFA-UHFFFAOYSA-N 439.408 6.469 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)NC2CCC(C(C)(C)C)CC2)cc1 100463208 XEZMFKIJPDGYBU-UHFFFAOYSA-N 432.674 6.245 30 10 IKEE CCCCCCCN1C(=O)/C(=C2/SC(=S)N(CCCCC)C2=O)c2ccccc21 102827896 MUERCCAEQMPNJC-FMQUCBEESA-N 430.639 5.765 30 10 IKEE CCCCCCCCN(CCCCCCCC)C(=O)COc1cccc2ccccc12 104777849 TVPDCNBZNXTMGS-UHFFFAOYSA-N 425.657 7.768 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2cccc(C)c2)cc1 169971226 BCWCXQSVWSIQCN-QHCPKHFHSA-N 433.454 5.619 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(OC(C)C)c2)cc1C 169981379 ZGIBYUUSRHYLPO-XMMPIXPASA-N 433.548 5.612 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OCC)c3)[C@@H]2c2cccs2)c1 169981723 OQBQVBYCZCRZDM-JOCHJYFZSA-N 449.528 5.328 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2cccs2)c1 169981850 XUGSYNVPXIHVEF-NRFANRHFSA-N 437.492 5.377 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2cccnc2)ccc1F 170006228 KHRDXSHFEWMHNA-OAQYLSRUSA-N 436.870 5.274 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(Cl)c2)[C@H]1c1cccnc1 170009018 UFCKYSGPAOCIDE-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(Cl)ccc2C)[C@@H]1c1ccncc1 170019525 KDSASTBIJZWWHH-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccc(F)cc2)ccc1F 170063213 GGNWIGLUFJLFGM-NRFANRHFSA-N 439.845 5.710 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2sccc2C)s1 170106423 DCVREAUIVGRCAC-GOSISDBHSA-N 438.574 5.530 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1ccc(N(C)C)cc1 170129367 UQXJXZPAXFUTNZ-NRFANRHFSA-N 438.911 5.141 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccs2)cc1 170157089 AGLNJQMBCCIWIJ-IQMFZBJNSA-N 445.540 5.417 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccs2)cc1 170157723 JYQRVBYIJYAVAT-LJQANCHMSA-N 425.893 5.193 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1ccccn1)c1ccc2c(c1)CCCC2 170176911 GCBHFYHFKMPGMK-HSZRJFAPSA-N 446.453 5.022 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@@H]1c1cccc(OCC)c1 170218006 DVCLNCYUUNHFND-QHCPKHFHSA-N 437.536 5.206 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCCC)[C@H]2c2ccccc2)cc1 170233058 GMJUFULZQDQVET-DEOSSOPVSA-N 435.564 6.024 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2F)c1 170246785 RGGHRPSSYTYDQA-NRFANRHFSA-N 437.492 5.064 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccc(CC)cc1 170268312 XJHYEGHQPOEIPH-RUZDIDTESA-N 449.591 6.052 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCCC)c2)[C@H]1c1cn(C)c2ccccc12 170269150 KMMFHNOXQFXRRG-XMMPIXPASA-N 446.547 5.346 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1CCCOC(C)C 170278086 KNVIGXYIGJCQBM-VWLOTQADSA-N 443.543 5.542 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(C)c4C)[C@@H]3c3ccco3)oc12 170286098 TZFOEBBCXKQMID-JOCHJYFZSA-N 443.455 5.434 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2ccc(C)o2)cc1 170304527 JQACAUBNILHNMD-HSZRJFAPSA-N 447.487 5.174 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1c1ccccc1O 170314630 KOCZSIAVPFIXGL-NRFANRHFSA-N 449.528 5.332 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc(C)cc2)=C(O)C(=O)N1c1ccc(C)c(Cl)c1 170335757 LEVWKUGPMULQRT-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2cccc(OCC(C)C)c2)c1 170365897 OXVDZYMUPHJTSM-HSZRJFAPSA-N 431.488 5.406 30 10 IKEE CC(C)C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1cccc(Oc2ccccc2)c1 170455448 IXFUHXMMSNSMPJ-JOCHJYFZSA-N 433.529 5.661 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 170466502 PRUSNTQUYOTZMM-VWLOTQADSA-N 449.591 6.288 30 10 IKEE CCOc1cc(/C=C\C(=O)Nc2ccccc2S[C@@H](C)CC#N)ccc1OC(F)F 209947546 FJRPWHGQXHDKID-KLQCNHIUSA-N 432.492 5.733 30 10 IKEE CCOc1ccc(-c2nc3cc(N=Cc4cc(Cl)cc(Cl)c4O)ccc3o2)cc1 252627845 SCPWHNVFIRWVJK-UHFFFAOYSA-N 427.287 6.657 30 10 IKEE COc1ccc(C=NN=C(C(=O)c2ccccc2)c2ccccc2)cc1OCc1ccccc1 254403236 ODFSYYMDRFEUAE-UHFFFAOYSA-N 448.522 5.980 30 10 IKEE CCOc1cc([N+](=O)[O-])cc(C=Nc2cc(-c3nc4ccc(C)cc4o3)ccc2C)c1O 254625649 VZFWZIXJVCJTOV-UHFFFAOYSA-N 431.448 5.875 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Br)c1)NCCC 406782920 CCMPFPMWLWNYCL-RTBURBONSA-N 425.411 5.219 30 10 IKEE CCCN[C@@H](CC#CC(C)(C)C)c1ccc(Br)cc1NC(=O)OC(C)(C)C 407682178 OFZZXCHVSLCQQW-SFHVURJKSA-N 437.422 6.276 30 10 IKEE CCOc1cccc([C@H]2C(c3cccc4ccccc34)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 526489416 ADAOBMXYXXMHRG-MHZLTWQESA-N 446.506 6.167 30 10 IKEE CCOc1cc(/C=N\n2c(CC)nnc2SCc2ccc(C)cc2)ccc1OC(C)C 526804335 OGDMUBFHIFPFEU-MYYYXRDXSA-N 438.597 5.509 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1cc(Br)ccc1O 526804627 ZCIFHQHZROVVRI-UUYOSTAYSA-N 445.386 5.182 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1ccc(OC)c(OCC)c1 526805088 GHKMIXZZYBJSAG-XYGWBWBKSA-N 438.597 5.511 30 10 IKEE CCOc1cc(/C=N\n2c(C)nnc2SCc2ccccc2Cl)ccc1OC(C)C 526815941 YKDLPVCFFUEJGL-CFRMEGHHSA-N 444.988 5.600 30 10 IKEE CCc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccc(OC)c(O)c1Cl 526816682 KYUIISLMEPJNHD-YVNNLAQVSA-N 437.352 5.036 30 10 IKEE C=C1CC[C@@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]1CC[C@H]2[C@@H](C)/C=C/[C@](C)(O)C(C)(C)O 669679113 BPEQZNMKGFTMQE-WVLVKFHUSA-N 428.657 5.871 30 10 IKEE C#CCCCCC[C@@H](NCCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 686707638 LZPQNKNJDVYVAQ-LJQANCHMSA-N 437.422 6.421 30 10 IKEE CCCCCCCC[C@H](NCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 693657842 UAJDKJGUXFCPJE-IGKIAQTJSA-N 445.692 5.885 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](Nc3ccc(C#N)c(Br)c3)C(C)(C)[C@H]21 693666558 KUXABNOJMCULTM-NJAFHUGGSA-N 434.378 5.157 30 10 IKEE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@H](C#N)c1ccc(Br)cc1Cl 698467310 BQIORSAMFODRLC-XJKSGUPXSA-N 429.742 5.083 30 10 IKEE CCCCCCC[C@H](NCCC)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 702510702 OGLCUOIRCIVCMM-ZEQRLZLVSA-N 433.681 5.740 30 10 IKEE C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc3c(c2)CCO3)[n+]2ccc(CCC)cc2)c1 726573301 WNUOZKVLCVEBON-UHFFFAOYSA-O 441.576 5.166 30 10 IKEE Oc1ccc(C=Nc2cc(C(F)(F)F)ccc2Oc2ccccc2)cc1Br 1084034479 KMSNVRRXUXQKGY-UHFFFAOYSA-N 436.227 6.716 30 10 IKEE CSc1nc2ccc(N=Cc3ccc(Sc4cccc5cccnc45)o3)cc2s1 1084051153 YAYZUGFHMIPDSO-UHFFFAOYSA-N 433.583 7.061 30 10 IKEE COc1ccc(C=Nc2ccc3cc4ccc(N=Cc5ccc(OC)cc5)cc4nc3c2)cc1 1084595500 MTHIMCQWVKDCCK-UHFFFAOYSA-N 445.522 6.906 30 10 IKEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2[C@@H]2C[C@H]2CF)C1 1705916541 PXMNYITVNSOCIT-QGZVKYPTSA-N 448.970 5.000 30 10 IKEE Cc1cccc(NC(=O)[C@@]23CC[C@@](C)(C(=NOC(=O)c4cccc([N+](=O)[O-])c4)C2)C3(C)C)c1 1772722475 HITJRJYIAZOJOM-LOSJGSFVSA-N 449.507 5.271 30 10 IKEE O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=Nc2cccnc2Cl)N1c1ccccc1 1772732909 HSJJOLZWCZLKKX-DHTRNYPVSA-N 436.880 5.452 30 10 IKEE CC(C)(C)c1ccc(C=NN=C2NC(=O)[C@H](Cc3ccc(Cl)cc3Cl)S2)cc1 1772742283 KPFHBVUEUCHSSO-SFHVURJKSA-N 434.392 5.455 30 10 IKEE O=C1NC(=NN=Cc2cccc3ccccc23)S[C@H]1Cc1ccc(Cl)cc1Cl 1772742284 KQDUPOCLJZSIMF-IBGZPJMESA-N 428.344 5.311 30 10 IKEE C=CCN1C(=O)/C(=C\C(Cl)=C\c2ccccc2)SC1=Nc1ccc(O)cc1C(=O)O 1772761105 VTDNHPZJSIJIFQ-FLUFCAFESA-N 440.908 5.003 30 10 IKEE Cc1cccc(Cn2nc(C(=O)Nc3ccc(C#N)cc3)c(Cl)c2-c2ccc(F)cc2)c1 1859385635 ZPNCBNRLWUDVKQ-UHFFFAOYSA-N 444.897 5.823 30 10 IKEE C=CCNC(=O)c1oc2cc(OCC)ccc2c(=O)c1-c1ccc(-c2ccccc2)cc1 1859781098 OVXVKUAXHPUJIQ-UHFFFAOYSA-N 425.484 5.442 30 10 IKEE CC1CCN(c2ccc(NC(=O)C(=O)/C=C/c3ccc(F)c(Br)c3)cc2)CC1 1860725901 AYJNTEPRVVFBEL-YCRREMRBSA-N 445.332 5.046 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(C)cc2C)n(Cc2c(F)cccc2Cl)n1 1862353660 HUTDGXFRLUIDKI-UHFFFAOYSA-N 437.946 5.822 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@H]2c2ccccc2)c1 1862429288 JWJNETWMKXZLAY-HSZRJFAPSA-N 431.919 5.735 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccccc1Cl)c1ccccc1Cl 1862432948 QMDVUFUEIZHBTB-IBGZPJMESA-N 444.339 5.833 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccccc1Cl)c1ccccc1Cl 1862432949 QMDVUFUEIZHBTB-LJQANCHMSA-N 444.339 5.833 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(C(C)C)cc1 1862464041 NFUFFHCVJBTJIE-LRTDBIEQSA-N 431.454 5.604 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(F)cc1F 1862464459 YHJOEEURBBFPKH-LJQANCHMSA-N 439.380 5.151 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C34CC5CC(CC(C5)C3)C4)[C@H]2c2ccc(F)cc2)cc1 1862473510 CHGRTDYVZQGYBL-GETQMSEISA-N 445.534 5.681 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCCN2CCCC2)cc1 1862474294 MMTSOMZJHDXORF-RUZDIDTESA-N 446.591 5.012 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCc3ccccc3)[C@@H]2c2ccc(O)cc2)cc1 1862474486 OLZZOSROGRAAIO-RUZDIDTESA-N 441.527 5.302 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2c(Cl)cccc2Cl)cc1 1862481738 HUDWWGNZWDLBBA-FQEVSTJZSA-N 430.331 5.823 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCCC)cc1 1862484069 IFVMJEYZQBLGJF-VWLOTQADSA-N 449.591 6.333 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C2CCCCC2)cc1 1862565220 RQPHIKWTDHDLGK-DEOSSOPVSA-N 448.563 5.359 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CC(C)C)c1 1862618249 AVZUVXVKNQXWIT-HSZRJFAPSA-N 435.564 5.617 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(Cl)cc1Cl 1862632631 SNVYTBOTMVIBCB-LJQANCHMSA-N 448.302 5.101 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCc2ccccc2)c1 1862649203 SEGKGBJVILAQPN-MHZLTWQESA-N 447.534 5.969 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(OCC)c(OC)c1 1862720823 FTNUGIFWLJXWCH-XMMPIXPASA-N 443.499 5.011 30 10 IKEE N#Cc1cccc(NC2=C(c3cc(Cl)ccc3Cl)C(=O)N(c3ccccc3)C2=O)c1 1863011450 OISGXOOXDQIDEF-UHFFFAOYSA-N 434.282 5.262 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)c(F)c2)=C(c2ccc(C)c(C)c2)C1=O 1863255820 NGICQPKSHMHWOP-UHFFFAOYSA-N 440.534 6.134 30 10 IKEE Cc1nc(Nc2cccc(C#N)c2)cc(N2CCC[C@H]2Cc2ccc(Br)cc2)n1 1868466958 JVICYGXEVUFMQM-NRFANRHFSA-N 448.368 5.374 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](CCCC)NC(=O)C[C@@H](c1ccc(OC)c(C)c1)C(C)C 1868718107 ANAJLSVROANMIX-DHIUTWEWSA-N 428.617 5.009 30 10 IKEE CCCCCCCCn1cc(OCC(N)=O)c(=O)cc1CSc1ccc(Cl)cc1 1870185209 OTTJHEYXHISPTK-UHFFFAOYSA-N 437.005 5.019 30 10 IKEE C#CCOc1cn(CCCCCCCCCC)c(CSc2ccc(Cl)cc2)cc1=O 1870300509 IVJBBWZQQKYSCG-UHFFFAOYSA-N 446.056 6.947 30 10 IKEE CCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(OC)cc1C 1871253827 JKWNUOHTXXCZJH-UHFFFAOYSA-N 445.563 5.418 30 10 IKEE CCCCC[C@@H](CC)N1COc2c(cc3c(c2C)O/C(=C\c2ccccc2OC)C3=O)C1 1871353032 AIUFYOSXPMLBDF-RRFFURKPSA-N 435.564 6.131 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc(C)cc4)ccc3C2=O)c(OC)c1 1871366366 BGWDPGDYVSWVGU-DJNRAMKDSA-N 442.467 5.247 30 10 IKEE CCCOc1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2)C3=O)cc1 1871378678 ZBHGUOWOYSCEKW-HOLFESJISA-N 440.495 6.019 30 10 IKEE CCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871380113 XDNKUNARKGSQHZ-VUKSCFRFSA-N 438.479 5.877 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OC(=O)c3cc(Cl)ccc3Cl)ccc2C1=O 1871381210 NNSXIKRFCSWMQC-FBHDLOMBSA-N 425.267 6.137 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)c1 1871387790 NUZMMJOXGPGFHQ-QRVIBDJDSA-N 434.875 5.964 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871407991 OPSZQIJYRPXCJH-GEWRUKCFSA-N 433.891 5.671 30 10 IKEE C[C@@H](Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O)C(=O)Nc1cc(Cl)cc(Cl)c1 1871410389 ZPVWMTFYVMXDBU-SVKBEJCWSA-N 444.270 5.609 30 10 IKEE Cc1cc(OCCOc2cccc3ccccc23)cc2c1C(=O)/C(=C/c1cccs1)O2 1871415836 WBEPKXLSEIYQPX-JLPGSUDCSA-N 428.509 6.284 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1cccc(OC)c1)C2=O 1871458136 BBNUFURNAVQLCS-IWIPYMOSSA-N 443.499 5.200 30 10 IKEE C=CCN([C@@H](CCC)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1872445061 VGQBOFGSPNUJMX-QFIPXVFZSA-N 449.016 5.448 30 10 IKEE N#C[C@@H](C(=O)Cc1cc(Cl)ccc1Cl)c1nc(-c2c[nH]c3ccccc23)cs1 1872777303 KPMXIKKHBININP-HNNXBMFYSA-N 426.328 6.017 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)cc3[N+](=O)[O-])n2)cc1Cl 1872789464 JTGIKBDXXCIWGI-CYBMUJFWSA-N 448.287 5.524 30 10 IKEE N#C[C@H](C(=O)/C(=C\c1ccccc1)c1ccccc1)c1nc(-c2ccc(Cl)s2)cs1 1872789638 PJVSJBBEBORRNY-CWDSQJGSSA-N 446.984 6.942 30 10 IKEE C=CCN(CC=C)C(=O)c1ccc2nc(SCC(=O)Nc3c(C)cc(C)cc3C)[nH]c2c1 1872816780 VACGTMVEKALQRW-UHFFFAOYSA-N 448.592 5.033 30 10 IKEE CCCCCN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2cccc(Cl)c2Cl)C1=O 1873339129 RCCIWUHQRPBIOQ-UHFFFAOYSA-N 428.319 5.247 30 10 IKEE C=CCn1c(C(=O)NCCCCCCCC)cc2c(N3CCc4ccccc4C3)ncnc21 1873594642 YKSKHMKDPKKDHV-UHFFFAOYSA-N 445.611 5.270 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C)c2)cc2c(NCc3ccc(Cl)cc3)ncnc21 1873637794 OWFXRVQWDNGKJT-UHFFFAOYSA-N 431.927 5.444 30 10 IKEE CCCCCCCCCCNC(=O)c1cnn(-c2ccc(F)cc2F)c1-n1cccc1 1873935540 USLFNAXOEGPXGR-UHFFFAOYSA-N 428.527 5.812 30 10 IKEE CCCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1cc(OC)ccc1OC 1874271143 HBOMAQMBSYKSND-YZSQISJMSA-N 446.576 5.424 30 10 IKEE CCCSc1nnc(COc2ccc(OC)cc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874294370 YVCTZBBQRGCVEW-PCLIKHOPSA-N 438.597 5.548 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3F)n2/N=C/c2ccccc2)c(C)c1 1874327437 NRQAFGAPYVXEGI-JFLMPSFJSA-N 446.551 5.788 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3C)n2/N=C/c2cccn2C)cc1C 1874328896 LYKBBSHSIKQBGW-WPWMEQJKSA-N 443.620 5.502 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccccc3C)nnc2-c2ccccc2Cl)cc1 1874364685 PLACLXRCIBOPFV-CVKSISIWSA-N 448.979 6.090 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2/N=C/c2ccncc2)cc1 1874390471 OONYHBRZYQKSBD-CVKSISIWSA-N 433.968 5.400 30 10 IKEE Cc1ccc(CSc2nnc([C@H](C)c3ccccc3)n2/N=C/c2ccc(O)c(O)c2)cc1 1874392583 PNQXANHEOGFERK-GTPWMTBTSA-N 444.560 5.324 30 10 IKEE Cc1cccc(CSc2nnc([C@H](C)c3ccccc3)n2/N=C/c2cccc(O)c2)c1 1874393094 CQRZZULLUADHCF-DZTFFZQKSA-N 428.561 5.618 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCCc2ccccc2)n1/N=C/c1ccccc1Cl 1874400747 YNNROICTRHXSJX-WRGIWNTCSA-N 447.007 6.300 30 10 IKEE Cc1cccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccc(F)cc2F)c1 1874406897 VIWVKVTYIDNRFX-JFLMPSFJSA-N 440.563 6.162 30 10 IKEE COC(=O)c1ccc(/C=N/n2c(SCc3ccccc3C)nnc2-c2cccs2)cc1 1874420779 DKRSYWATRKBHRM-ZVHZXABRSA-N 448.573 5.276 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874441415 WFLDOXPJJYDTFY-YDZHTSKRSA-N 443.960 5.603 30 10 IKEE COc1cc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2C2CCCC2)ccc1O 1874455668 DSMCSEOXYWIXKZ-AFUMVMLFSA-N 436.581 5.441 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1cccc(OCCC)c1 1874479984 CCYSFJIUWHAHBI-PCLIKHOPSA-N 443.016 6.237 30 10 IKEE O=C(/C=C/c1ccccc1OCc1ccc(Cl)cc1)c1ccc(Oc2ccccc2)cc1 1874585234 ODCWAUZFDXGURJ-XMHGGMMESA-N 440.926 7.607 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(C)c(C)c2)c(C)c1 1874588039 RAGRURGNACEJIA-DHZHZOJOSA-N 447.962 6.487 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccccc1OCC(=O)Nc1cc(C)cc(C)c1 1874591935 JJWSRMGVSWMAHS-CSKARUKUSA-N 449.934 5.879 30 10 IKEE C=CCOc1c(Br)cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1OC 1874601468 MQBUNTKRYSMOGI-NTEUORMPSA-N 449.344 6.586 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OCc1cccc(C)c1 1874603723 BNCDDKDEZIXXGS-SDNWHVSQSA-N 442.555 6.366 30 10 IKEE Cc1ccc(COc2ccc(/C=C/C(=O)c3ccc(Cl)cc3Cl)cc2[N+](=O)[O-])cc1 1874606043 RUZCGBRZFAJQOT-UXBLZVDNSA-N 442.298 6.685 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)cc1C 1874607475 PYHMMKGAYYFPCQ-MDWZMJQESA-N 429.516 5.534 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccc(F)cc1 1874615371 UORZUVOMZBUUFG-CXUHLZMHSA-N 446.518 6.437 30 10 IKEE C=CCOc1c(Br)cc(/C=C/C(=O)c2ccc(OCCC)cc2)cc1OCC 1874617326 WHLLXPPYZBGUIJ-KPKJPENVSA-N 445.353 6.098 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 1874623197 QCOJSHDJORATIH-LHHJGKSTSA-N 425.355 7.592 30 10 IKEE COc1ccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 1874698277 ORLLRMCOCFSEDC-VIZOYTHASA-N 431.444 5.038 30 10 IKEE COc1ccc(OCCCC(=O)Oc2cccc(/C=C/C(=O)c3ccccc3OC)c2)cc1 1874698610 FTZNJAUGMRYBLH-SFQUDFHCSA-N 446.499 5.365 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(OC)c([N+](=O)[O-])c3)c2)cc1 1874701303 LINAHTVWJPOEPE-NTUHNPAUSA-N 447.443 5.117 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 1874706064 NRVGVMWYDXTZGP-LICLKQGHSA-N 428.528 6.037 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3c(C)ccc(C)c3C)c2)cc1F 1874706896 FRZHKEIPTTZJBY-ZRDIBKRKSA-N 448.490 5.640 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC(=O)[C@H](C)c2ccccc2)c1 1874710260 YZEYFWLHBIFCNI-KETLNSEPSA-N 442.555 6.598 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3cc(C)cc(C)c3)c2)cc1C(C)C 1874711240 WTVVGHRYOSISGG-ZHACJKMWSA-N 442.555 6.859 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(Cl)cc2)CSc2nnc(C3CC3)n21 1874844062 PZWBIUSSDKCXDE-LJQANCHMSA-N 433.021 5.871 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1cccs1 1875095807 IGCUHSSSYGYOFP-UKTHLTGXSA-N 428.509 6.415 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc1Br 1875108171 BBVFZYPXWXARJA-JXMROGBWSA-N 431.326 5.758 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OC 1875134032 JJTWDNJHPWWPSY-JLHYYAGUSA-N 430.500 5.365 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)COc1cccc(C)c1C 1875137138 XUKHWERWYHSQCC-RVDMUPIBSA-N 444.527 5.891 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)cc(Cl)c1OC(=O)CC(C)C 1875145188 GHJWWYUPIVNRSY-CMDGGOBGSA-N 430.928 5.903 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1)c1ccc(F)c(F)c1F 1875154240 VHLLUBVDGJPGRG-XNTDXEJSSA-N 432.397 6.372 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccccc3)c(Cl)c2)cc1 1875155575 JCIUOXXQWNBISI-RIYZIHGNSA-N 434.919 6.344 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2F)cc1)c1ccc(Oc2ccccc2)cc1 1875165491 KWJKKFPCSVGUHT-XDHOZWIPSA-N 438.454 6.733 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(Cl)c3)c(Cl)c2)cc1C 1875175525 UFOCCSRPLVRSET-JXMROGBWSA-N 425.311 6.726 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3ccccc3Cl)cc2)cc1C 1875176177 ZRYLJERBQDZFNY-FOWTUZBSSA-N 448.946 6.618 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2OCC)c1 1875176340 DAYRQNXYLHWNCH-SDNWHVSQSA-N 444.527 6.216 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(C)c3)c(Cl)c2)c(OC)c1 1875178460 KZBPBXZOKGRPEG-YRNVUSSQSA-N 436.891 5.781 30 10 IKEE Cc1c(I)c(C)c(C(=O)OC(C)(C)C)c(C)c1C#C[Si](C)(C)C 1887511663 PAXVHIIJIAFWED-UHFFFAOYSA-N 442.413 5.401 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC1(CNC(=O)OC(C)(C)C)CCCCC1)NCCC 1922078635 YEXWSWMGBSUYJK-DEOSSOPVSA-N 444.660 5.993 30 10 IKEE CCCN(C(=O)OC(C)(C)C)[C@@]1(C#N)[C@H](CNC(=O)OC(C)(C)C)CCCC12CCC2 1924834925 XMKRBLNLIVQDOV-UUOWRZLLSA-N 435.609 5.391 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)C(C)(C)[C@H](NC(=O)OC(C)(C)C)C(F)(F)F 2012163146 XSVKCHFALADBHS-OALUTQOASA-N 444.538 5.219 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)C2(C#N)CCC(CNC(=O)OC(C)(C)C)CC2)c1 2030039095 ALSBNWYPXMJQJU-UHFFFAOYSA-N 443.588 5.714 30 10 IKEE CCCCCCCCC[C@@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCC 2035462273 QEIANOJLWVYZNU-DQEYMECFSA-N 448.692 6.605 30 10 IKEE CC(C)(C)c1ccc(NC=CC(=O)c2ccc(OCc3c(F)cccc3Cl)cc2)cc1 2040742083 PAYUITOJEPHAFL-UHFFFAOYSA-N 437.942 7.164 30 10 IKEE CC1([C@H](c2ccc(C(F)(F)F)cc2F)n2nc(C(F)(F)F)c(C#N)c2Cl)CC1 2079958769 RGHVIABJJORVCK-ZDUSSCGKSA-N 425.735 5.974 30 10 IKEE CC(C)(C)c1nn([C@@H](c2ccc(C3CCC3)cc2)C2CC2)c(Br)c1C=NO 2079983652 FCFRJWOREKOEHO-IBGZPJMESA-N 430.390 6.018 30 10 IKEE CC(C)(C)c1nn([C@@H](c2ccc(C3CCC3)cc2)C2CCC2)c(Br)c1C=NO 2079987761 YDEQZQCHCXHFDS-HXUWFJFHSA-N 444.417 6.408 30 10 IKEE CCOc1ccc([C@@H](CC)n2nc(C(C)(C)C)c(C#N)c2I)cc1 2080105012 VWFZJAUGECQFDG-MRXNPFEDSA-N 437.325 5.055 30 10 IKEE CC(C)(C)c1nn(C(F)(F)F)c(Br)c1-c1ccc(C(F)(F)F)c(F)c1 2080786131 ZQTBWNUNIAZXHR-UHFFFAOYSA-N 433.165 6.244 30 10 IKEE C=CCCCCCCCCC[C@H](CN(Cc1ccccc1)C(=O)OC(C)(C)C)NCCC 2086280252 DFTGXNXPWKVTJS-AREMUKBSSA-N 444.704 7.489 30 10 IKEE C#CCCCC[C@H](NCCC)c1cc(I)ccc1Br 2116842713 NYSSNBSGFCCXLC-INIZCTEOSA-N 434.159 5.288 30 10 IKEE CCc1ccc(Nc2cc(Br)ccc2C#N)cc1I 2128725308 NADWGYKCCIFAPS-UHFFFAOYSA-N 427.083 5.231 30 10 IKEE N#C[C@@H](Nc1cccc(F)c1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134726268 SFBZSFRUSXIBMW-AREMUKBSSA-N 438.502 6.660 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H](Nc2cc(Br)c(C#N)cc2F)C1(C)C 2138963158 YWIHLHJDZHURAT-MRXNPFEDSA-N 426.330 5.050 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)Nc1ccc(CC#N)cc1 2181044267 AIRGOWMQWFGJNS-UHFFFAOYSA-N 430.302 5.114 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Cl)c(Cl)cc1Cl 2201288676 LUVYVEOMAZTCKF-QZTJIDSGSA-N 433.807 5.994 30 10 IKEE CCCCCCCC[C@H](CO)N(C(=O)OC(C)(C)C)c1ccccc1Br 2227109535 ROUYREKOMXHHCZ-QGZVFWFLSA-N 428.411 6.302 30 10 IKEE Cc1ccc(NC(=O)OC(C)(C)C)c(C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)c1 2231060450 UUTXGBYNIPHPNX-UHFFFAOYSA-N 444.381 5.040 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C 2235730412 OQOAUBWQIOBOLH-MJGOQNOKSA-N 437.422 5.108 30 10 IKEE CN[C@@H](C#Cc1ccccc1Br)c1cccc(F)c1NC(=O)OC(C)(C)C 2235733701 VEDJVYYBKDPQCU-SFHVURJKSA-N 433.321 5.247 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)C(C)(C)CCNC(=O)OC(C)(C)C 2235749068 GKUKIUCXJDGBJZ-IBGZPJMESA-N 437.422 5.110 30 10 IKEE CCCCCCCC[C@H](N)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237410644 YBYHJXCYYYTCBE-VQTJNVASSA-N 441.454 5.963 30 10 IKEE CCC#CC[C@H](NCCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237415111 NDQUGSJAYUSSED-VQTJNVASSA-N 437.422 5.057 30 10 IKEE CCCCCCCC[C@@](C)(CO)N(C(=O)OCc1ccccc1)c1ccccc1Cl 2240556333 OJOYLMPLWGVJKH-VWLOTQADSA-N 432.004 6.985 30 10 IKEE CCCCCCCC[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2240622048 PCJBZDSWFKCQBH-JOCHJYFZSA-N 437.422 7.223 30 10 IKEE CC[C@H](C)N(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)sc(C)c1C 2247825296 BGLXHTWDECRHOZ-INIZCTEOSA-N 427.419 5.105 30 10 IKEE C=CCCCCCCC[C@@H](N)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248488593 SZKWWBWDRSBHIT-HSZRJFAPSA-N 430.633 5.684 30 10 IKEE Cc1sc(C(=O)N(Cc2ccccc2)[C@@H](C)C(C)C)c(B2OC(C)(C)C(C)(C)O2)c1C 2255658556 FYOCPNUZEHEJRZ-SFHVURJKSA-N 441.446 5.351 30 10 IKEE Brc1cc(NCC#CC2CCCC2)cc(Br)c1Br 2261106305 CVKCHSVZMINBLS-UHFFFAOYSA-N 435.985 5.580 30 10 IKEE C=C(CC)C[C@H](OCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2275420676 XANNEKHACOEKOB-SANMLTNESA-N 446.543 6.343 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N(Cc2ccccc2)CC2CCCCC2)c1 2282111236 RKEFFFNMMWNSST-UHFFFAOYSA-N 447.428 5.517 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCCC)c2cc(F)cc(Br)c2F)C1 2288492643 IMLOMAIWUWCSDV-QGZVFWFLSA-N 445.348 5.382 30 10 IKEE CC1(C)CCC(C)(C)[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)C1 2290249273 UXHFKSXHXMXIEY-JOCHJYFZSA-N 435.406 6.689 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cn(C)c4ccccc24)C3=O)cc1 2296872184 YJJYQDYQBMRCJF-UHFFFAOYSA-N 439.467 5.331 30 10 IKEE C=C(C)COc1ccc(C=C2N=C(c3cccc(Br)c3)OC2=O)cc1OCC 2296910951 HLSWMJHZZOXFEW-UHFFFAOYSA-N 442.309 5.147 30 10 IKEE CCCCOC(=O)c1cc(-c2ccc(C=C3Sc4ccccc4C3=O)o2)ccc1Cl 2297296584 HVYOIKYEKSBWKE-UHFFFAOYSA-N 438.932 6.886 30 10 IKEE CCN=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1C1CCCCCC1 2297451532 YOGWQOHIDGWWFP-INIZCTEOSA-N 442.412 5.365 30 10 IKEE SC[C@H](CSc1cc(I)ccc1Br)CC1CC1 2300805360 NFNHWZPDJVCHCX-SNVBAGLBSA-N 443.213 5.492 30 10 IKEE CCN1C(=O)C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=Nc1cccnc1 2314542509 WFDKSJKKGDRRQQ-UHFFFAOYSA-N 444.343 6.272 30 10 IKEE Cc1scc(C(=O)N(Cc2ccccc2)CC2CCCC2)c1B1OC(C)(C)C(C)(C)O1 2320444888 LRWPJNSTLTVXFN-UHFFFAOYSA-N 439.430 5.188 30 10 IKEE COc1cccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CC2)c1OC 2320887039 SATLEAHJIAKIAX-UHFFFAOYSA-N 428.945 5.001 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(CC)n1N=Cc1ccc(C(C)C)cc1 2320940996 NZDJSPAMBDTVRU-UHFFFAOYSA-N 435.597 5.139 30 10 IKEE COC(=O)c1ccc(C=C2Oc3cc(OCc4ccc(Cl)cc4)cc(C)c3C2=O)cc1 2321773120 VNOBXJVUSIMLSH-UHFFFAOYSA-N 434.875 5.630 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)cc2)n1N=Cc1c[nH]c2cc(Cl)ccc12 2321836241 OIVNLLUFJQVAEC-UHFFFAOYSA-N 444.391 6.364 30 10 IKEE Sc1nnc(Cc2ccccc2)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2321883909 HRDIYKKBTAUOEV-UHFFFAOYSA-N 434.952 5.272 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1c(F)cccc1Cl)C3=O)CN([C@H](C)c1ccccc1)CO2 2322371320 VBZSQHJDLBIIEZ-MRXNPFEDSA-N 449.909 6.317 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)c1OCCc1ccccc1 2322474652 XJWLVTFFXIPTPP-UHFFFAOYSA-N 437.879 5.774 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1 2322609686 HHOLPQUWZWPBHD-UHFFFAOYSA-N 441.354 7.257 30 10 IKEE COc1cccc2cc(C(=O)Oc3ccc4c(c3C)OC(=Cc3cccc(C)c3)C4=O)oc12 2322860486 ZBVHFGKDQPAUPH-UHFFFAOYSA-N 440.451 5.894 30 10 IKEE Cc1cc(OC(=O)Cc2ccccc2)cc2c1C(=O)C(=Cc1ccc(-c3ccccc3)cc1)O2 2322886655 VFTABZVLMZDDEO-UHFFFAOYSA-N 446.502 6.426 30 10 IKEE COc1cc(C=NNc2ccc(C(=O)O)cn2)ccc1OCc1ccc(Cl)cc1Cl 2322941888 BIXCJAYGODDBSJ-UHFFFAOYSA-N 446.290 5.120 30 10 IKEE CCCCCCCCCOc1ccc(C=Nn2c(SC)nnc(C)c2=O)cc1OCC 2323019153 PUNMXWNMSDVMMU-UHFFFAOYSA-N 446.617 5.079 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2Cl)cc1OCc1c(Cl)cccc1Cl 2323087112 IICIUFXHFPQXBO-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE Cc1c(OC(=O)Cc2ccc(F)cc2)ccc2c1OC(=Cc1ccc(C(C)C)cc1)C2=O 2323228699 GOTKJFIJHKGYLV-UHFFFAOYSA-N 430.475 6.022 30 10 IKEE C=C(C)COc1c(OC)ccc(C=CC(=O)c2ccc(OC)cc2OC)c1Br 2323283239 JIRQZTSWTKHYGA-UHFFFAOYSA-N 447.325 5.326 30 10 IKEE O=C(C=Cc1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1cc(Cl)ccc1Cl 2323327811 WINCMPBURHCTOM-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE O=C(COc1ccc(Cl)cc1)Oc1ccc2c(c1)OC(=Cc1ccccc1Cl)C2=O 2323532270 DPISFZYUJRJKEY-UHFFFAOYSA-N 441.266 5.594 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(OC)c1OCc1ccccc1C 2324261240 CEJABIJMSZKVMO-UHFFFAOYSA-N 434.482 6.485 30 10 IKEE Cc1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccncc2)C3=O)c1C 2324504818 FVOBCIKXILXDGT-SFHVURJKSA-N 428.488 5.029 30 10 IKEE COc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)c(OC)c1 2324647882 ZXWPUONQFKPCIR-NRFANRHFSA-N 432.545 5.840 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)cc(Br)c1OCCO 2324665583 NUHJKPMLGUDSBB-UHFFFAOYSA-N 446.124 5.032 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O 2325141802 VKLGYLUYKFCHRW-QGZVFWFLSA-N 431.463 5.465 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O)NC1CCCCC1 2325324415 SGOLYUOTSZTRBO-UHFFFAOYSA-N 446.330 5.437 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1cccc(Cl)c1)C2=O)Nc1ccccc1Cl 2325717927 RWIQUKFFMVXMOA-UHFFFAOYSA-N 440.282 5.627 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccccc3F)c2)cc1 2325738750 OPCQSEMRKHOUAP-UHFFFAOYSA-N 448.490 5.667 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cc(C)cc(C)c3)c2)cc1F 2325748088 KHSUWFUOFIYMNF-UHFFFAOYSA-N 434.463 5.575 30 10 IKEE CCC(=O)Oc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)c(Br)cc1OC 2325756651 AEKXLWXSXDLTPL-UHFFFAOYSA-N 445.353 5.903 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1OC(=O)c1cccc(F)c1 2325757228 MVPUBLARYXCDIT-UHFFFAOYSA-N 434.463 5.575 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cccc(OC(=O)COc2c(C)cccc2C)c1 2325757832 ALNYWOSNMKMTIV-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE CSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccccc1OC(C)C 2326037574 BZYJHEBSGYAOLN-UHFFFAOYSA-N 444.988 5.334 30 10 IKEE C=C(C)CSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1cccs1 2326388826 WZWHKTUIOPSLIL-UHFFFAOYSA-N 426.611 5.518 30 10 IKEE CCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1ccc(O)c(Br)c1 2326409252 GPMUBBCMXKLMCP-UHFFFAOYSA-N 445.386 5.100 30 10 IKEE Clc1cccc(C=Nn2cnnc2SCc2ccc(Br)cc2)c1Cl 2326606538 QIBVBAXQRGGANF-UHFFFAOYSA-N 442.169 5.522 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCOc3ccccc3)n2N=Cc2cccnc2)c1 2329195376 LXKKXYKDBGFAFG-UHFFFAOYSA-N 443.576 5.086 30 10 IKEE Clc1cccc(C=Nn2c(SCc3ccccc3)nnc2-c2ccccc2Cl)c1 2329576828 NDECMZMSIRZYCI-UHFFFAOYSA-N 439.371 6.426 30 10 IKEE CC(C)(C)c1ccc(NC(=O)N[C@@H]2CCN[C@H](C(=O)C=Cc3ccc(Cl)cc3)C2)cc1 2329669144 VDPFAESXDIXKHV-YADHBBJMSA-N 439.987 5.162 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)cc2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2329984863 OAJZSXKTULNGFW-UHFFFAOYSA-N 441.944 5.289 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccncc1 2330135584 JMWLWUBCWADSOD-KRWDZBQOSA-N 433.968 5.653 30 10 IKEE Clc1cccc(C=Nn2c(CC3CCCCC3)nnc2SCCc2ccccc2)c1 2330276366 UJJXVWRPNPIEIY-UHFFFAOYSA-N 439.028 6.271 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)C=Cc1ccc([N+](=O)[O-])cc1 2330576638 QVQMBYSFUAXZJM-QHCPKHFHSA-N 445.604 5.540 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c(OC)c2)cc1Br 2330718919 PXKDAMGRGODFMX-UHFFFAOYSA-N 447.325 5.458 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1 2330740689 FLIFSEXMGMYIHO-UHFFFAOYSA-N 432.519 7.031 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc(Cl)cc1 2330804515 OGEGCEIDGWCCJI-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3F)c(Cl)c2)cc1 2330833113 WKXULPXUERAYTQ-UHFFFAOYSA-N 436.910 6.937 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccccc1C(=O)O 2330872440 GFMFWAXRMHHUKQ-UHFFFAOYSA-N 442.972 5.393 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CSc3ccccc3)c(OC)c2)cc1 2330993349 YBFVJBRQJOESCQ-UHFFFAOYSA-N 434.513 5.298 30 10 IKEE Cc1ccc(CSc2nnc(C3CCCC3)n2N=Cc2c(F)cccc2Cl)cc1 2331018325 LJVWCMYVZDCSPH-UHFFFAOYSA-N 428.964 6.211 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(Cl)cc2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 2331021289 GQRZCUAUUUCAGF-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCCC3)n2N=Cc2cc(Cl)ccc2O)c1 2331072007 ASCQOWYUEYEJAG-UHFFFAOYSA-N 441.000 6.086 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3cccc(Cl)c3)cc2OC)cc1 2331136363 MVCRQSKISWHDHC-UHFFFAOYSA-N 448.946 6.345 30 10 IKEE C=CCSc1nnc(C(F)(F)F)n1N=Cc1ccc(OCCCC)c(OCC)c1 2331144987 CFCPDSSRUPPQIH-UHFFFAOYSA-N 428.480 5.035 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)CCCSC)c(OC)c2)cc1 2331188532 QEJCOMUHEZMHJH-UHFFFAOYSA-N 448.968 5.692 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2[N+](=O)[O-])c1 2331225494 AJHATAHCIWKULL-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)c3cccnc3)c(Br)c2)c1 2331320143 QZUWSUZJMADPQM-UHFFFAOYSA-N 436.305 5.576 30 10 IKEE Cc1ccc(CSc2nnc(C3CCC3)n2N=Cc2cccc(Br)c2)cc1 2331484184 SJJFSVUORJMWEF-UHFFFAOYSA-N 441.398 5.791 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 2331491563 RJQRKYSHUQQYTD-UHFFFAOYSA-N 439.338 7.232 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)c1cccc(C)c1 2331493108 WNDUDEIZDBZKGO-UHFFFAOYSA-N 444.527 6.251 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)cc(OC)c1OC(=O)C1CCCC1 2331630778 RLPYRSVPJKJOQR-UHFFFAOYSA-N 448.559 6.041 30 10 IKEE CCCOc1c(C=Nn2c(SCc3ccccc3F)nnc2C(C)C)cccc1OC 2331699383 JMNDBMLDZQSMBC-UHFFFAOYSA-N 442.560 5.513 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)cc3)c(OC)c2)c(OC)c1 2331729229 QNFQNERUUVCUCB-UHFFFAOYSA-N 446.499 5.065 30 10 IKEE CC(C)[C@H](CCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339602075 FTLFRDXBIMRYNC-IBGZPJMESA-N 446.397 5.044 30 10 IKEE C=CCn1c(SCCOc2ccccc2)nc2scc(-c3ccc(C)cc3)c2c1=O 8950554 WPFODSNXYFDFOA-UHFFFAOYSA-N 434.586 5.791 30 10 IKEE CCCCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OC)cc2)C2=C1CC(C)(C)CC2=O 9775619 IZMZUMNGDQMYMO-UHFFFAOYSA-N 449.635 6.571 30 10 IKEE Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2/C=N/c2cccc(C)c2)cc1 20368330 TZMVXQRRUZUNEC-OEAKJJBVSA-N 443.366 5.617 30 10 IKEE Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2c(Cl)cccc2Cl)cc1 20883238 ZMVQCFXNIJVNDF-QUGAMOGWSA-N 449.381 7.281 30 10 IKEE COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2O)c1 21236826 XGWGRLFHAAIHJE-CHAGWJKLSA-N 442.515 5.389 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(Cl)c2Cl)cc1 21237284 XFURBEXVWRSTSX-YJBOKZPZSA-N 444.358 5.787 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OCC(C)C)cc2)C3)cc1 21245026 DTANZLLEGABZBO-ZJSXRUAMSA-N 447.575 5.515 30 10 IKEE COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(OC)c2O)cc1 21246623 KSVMEUICVNDMHB-MRDQGFSESA-N 442.515 5.389 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C(=O)/C=C/c3c(Cl)cccc3Cl)cc2)c1 34954061 OFKICYNDJGDROW-OUKQBFOZSA-N 427.283 6.117 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)C1CCCCC1 34954971 KZSDHGQELGKFPC-LDADJPATSA-N 440.539 6.744 30 10 IKEE O=C1/C(=C/c2ccccn2)S/C(=N/c2nc(-c3ccccc3)cs2)N1c1ccccc1 39865995 HFMJUDXIMURBTB-AGEIGWASSA-N 440.553 6.014 30 10 IKEE Cc1nnc(/N=C2/S/C(=C\c3cccc4ccccc34)C(=O)N2c2ccccc2)s1 39866467 IRJNAGJHQYHJKM-QIEPSYMVSA-N 428.542 5.808 30 10 IKEE COc1cccc(/C=C2\Oc3c(cc4c(c3C)OCN([C@@H](C)c3ccccc3)C4)C2=O)c1 41587519 JKYLFYLYGIFMBU-DNNAEVNTSA-N 427.500 5.533 30 10 IKEE COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1[N+](=O)[O-] 59245871 QYWPFDVXVHNYRX-ZVHZXABRSA-N 435.505 5.547 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccc(C(C)(C)C)cc2)nnc1-c1cccc(Cl)c1 59794773 ULSVTDWCPJJJLS-UHFFFAOYSA-N 441.000 5.813 30 10 IKEE Cc1ccc(NC(=O)c2cnn3c2NC2=C(C(=O)CCC2)[C@@H]3c2cccc(Cl)c2)cc1 64874114 CSJKXBYZKGQKTB-QFIPXVFZSA-N 432.911 5.119 30 10 IKEE CN1C(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)S/C1=N/c1nccs1 101127928 AWIFUTQWMIHOHE-FKHPOCDDSA-N 441.965 5.609 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)O/C(=C/c2cccc([N+](=O)[O-])c2)C3=O)cc1 110520745 SFRCFNXZUJUOIH-OEAKJJBVSA-N 443.455 5.728 30 10 IKEE CCCCCCCCSc1nc2ccc(N3C(=O)[C@@H]4[C@@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2s1 138166075 RBYDFXAPMDTYEB-VAKZPMALSA-N 440.634 6.060 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2cccc(F)c2)cc1 169921522 LQCMCROTCRTXMD-HSZRJFAPSA-N 442.446 5.099 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccc(F)cc2)c1 169929372 OVJFWPVZNKYELZ-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE CCOc1cc([C@H]2NC(=S)N(CC)C(C)=C2C(=O)c2ccccc2)cc(Cl)c1OC 169932034 SXRCVXNWUKWCRK-HXUWFJFHSA-N 444.984 5.155 30 10 IKEE COc1ccccc1-c1csc(N/N=C\c2cc(Br)c(OC)c(OC)c2)n1 169940148 RKXBZJDWMXCRQZ-FBHDLOMBSA-N 448.342 5.044 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccc2OC)cc1C 169946328 QVMOODRKKULUQT-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2ccccc2)cc1 170029082 FCMOUBUBVZITJL-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccccc2)cc1 170048777 YQVJQGVXDITOQT-VWLOTQADSA-N 425.528 6.155 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccccc2)c1 170054819 QOHBBYYGNBHAIZ-SANMLTNESA-N 449.506 5.627 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 170057857 WSVOMXOICYAWCD-FQEVSTJZSA-N 425.818 5.401 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2ccc(F)cc2)c1 170061492 HIICKWOPQWQFNU-DEOSSOPVSA-N 443.474 5.160 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1)c1ccc2c(c1)CCO2 170063332 AFSGBAUZMLJYFV-QFIPXVFZSA-N 449.865 5.197 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2ccccc2C)c1 170086944 YLJYBWSMKHSVQW-OAQYLSRUSA-N 448.544 5.250 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2cccc(OCC(C)C)c2)=C(O)C(=O)N1C1CCCC1 170125927 NERQUZKXXUTKQZ-XMMPIXPASA-N 449.547 5.251 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(OCC(C)C)cc1 170167301 XUZRACMATDKWSU-OAQYLSRUSA-N 427.928 5.363 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@H]1c1cccnc1 170196218 QZDFSQNRLXGRJS-HXUWFJFHSA-N 447.560 5.282 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2ccccc2)cc1C 170225301 MWWBUAROVFBRAB-DEOSSOPVSA-N 425.484 5.021 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1C 170235345 QJNIIGIGKZWINC-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1ccc(Cl)cc1 170236531 REBODIILSYUXCA-LJQANCHMSA-N 430.287 5.728 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cc(OC)ccc3OC)=C(O)C(=O)N2C2CCCCC2)cc1 170266527 XRAGZCZTALOECX-XMMPIXPASA-N 449.547 5.177 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1CCCOC(C)C 170278042 DUWZDXMFGQGRMG-VWLOTQADSA-N 447.575 5.267 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(Cl)c3)[C@H]2c2ccco2)c1 170278769 SSFYALOARLJNFU-LJQANCHMSA-N 444.270 5.378 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccco2)cc1 170281094 JHIJLQBAHKGJLY-VWLOTQADSA-N 437.495 6.339 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccco2)c1 170282232 NJAMFAWQUGXZHI-QFIPXVFZSA-N 435.451 5.236 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccco2)cc1 170286978 FUESISQJQJZNQK-OAQYLSRUSA-N 437.879 5.505 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccco2)cc1C 170290576 YLBTWSMEMIKNBJ-OAQYLSRUSA-N 439.414 5.048 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(C)o2)c1 170300505 UAAKAADXROHAQD-MWTRTKDXSA-N 429.472 5.003 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)cc1 170391385 NKLZBWGCLLAUMO-QFIPXVFZSA-N 435.882 5.824 30 10 IKEE Cc1[nH]c2ccccc2c1[C@@H]1C(C(=O)c2ccncc2)=C(O)C(=O)N1c1cccc(Cl)c1 170404884 JESZJNYWIXOMNE-JOCHJYFZSA-N 443.890 5.308 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cccc(OC(F)(F)F)c2)c1 170458421 ZBHAFQZDXZCPRT-IBGZPJMESA-N 443.377 5.270 30 10 IKEE CC(C)(C)c1ccc(-c2nc3cc(N=C/C=C/c4cccc([N+](=O)[O-])c4)ccc3o2)cc1 252631404 VKSDRAQNEXCQDF-AGSYOJIDSA-N 425.488 7.116 30 10 IKEE COc1ccc(/C=C2/SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1OC 252634597 WOWVYLDBBKOZML-GUGSDYAWSA-N 444.556 6.129 30 10 IKEE C=CCn1c(SCC(=O)OC/C=C/c2ccccc2)nnc1C12CC3CC(CC(C3)C1)C2 253575414 UOAFCHLYYAOINR-RMKNXTFCSA-N 449.620 5.281 30 10 IKEE COc1ccc(NC(=S)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 254487487 MFQMBPDSNLOOMZ-UHFFFAOYSA-N 445.523 5.008 30 10 IKEE CC(=O)Oc1ccc(-c2ccc(C=Nc3ccc(-c4nc5ccccc5s4)cc3)cc2)cc1 254794914 HENRLSVJJPRDNY-UHFFFAOYSA-N 448.547 7.306 30 10 IKEE CCCCCOc1ccc(C(=O)Oc2ccc(C=Nc3cccc([N+](=O)[O-])c3)cc2)cc1 254866378 IEOFNRNEJPLQCK-UHFFFAOYSA-N 432.476 6.134 30 10 IKEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)c(Cl)c1F 407166071 AQMCLNQWUJTMKX-YOEHRIQHSA-N 447.776 5.199 30 10 IKEE C=CCCc1ccccc1NC(=O)CSCc1nc(O)c2c3c(sc2n1)CCCC3 410352931 QNTWCPBLWZTFJW-UHFFFAOYSA-N 439.606 5.266 30 10 IKEE N#CCc1ccc(OCc2ccccc2NC(=O)CCc2cc3ccccc3nc2O)cc1 503540644 VLAYTTFCFQDZFW-UHFFFAOYSA-N 437.499 5.157 30 10 IKEE CCc1nnc(SCc2cccc(C)c2)n1/N=C\c1cc(Cl)c(OC)c(Cl)c1 526808419 UKYPBUQXGKDAQQ-KSEXSDGBSA-N 435.380 5.639 30 10 IKEE CC(C)(C)c1csc(NC(=O)c2cccc(NC(=O)NCCc3ccccc3)c2)c1C#N 586636849 HASBUONFMKVLMM-UHFFFAOYSA-N 446.576 5.534 30 10 IKEE C#CCCCCC[C@@H](NCC)c1cc(Br)ccc1I 686689759 MNEPYAOYYJHSNF-MRXNPFEDSA-N 434.159 5.288 30 10 IKEE C=CCCCCC[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NC 686823442 AHKYBMFZWRDSLB-DEOSSOPVSA-N 443.676 5.661 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](Nc3ccc(Br)cc3C#N)C(C)(C)[C@@H]21 693664744 ASXKFVMPXOQIOW-BPQIPLTHSA-N 434.378 5.157 30 10 IKEE C[C@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)CN1C(=O)OC(C)(C)C 698882663 FJASQLHULSSGDK-HJPURHCSSA-N 449.979 5.763 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 698943451 YAMKMZZUQPNFQT-QMHKHESXSA-N 433.524 5.106 30 10 IKEE COc1ccccc1CNN=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 1084372591 QMAFQLHUPMJGTE-UHFFFAOYSA-N 445.346 5.713 30 10 IKEE O=C(Nc1cccc(Cl)c1)[C@H]1CC(=O)N(Cc2ccccc2)C(=Nc2ccccc2)S1 1084405744 DHQCSNGHWQFJRY-OAQYLSRUSA-N 449.963 5.501 30 10 IKEE C[C@@]12CC[C@@H]3[C@H](CCC4=C/C(=N/Nc5cccc(Cl)c5Cl)CC[C@@]43C)[C@H]1CCC2=O 1614360624 HESAJDXBMHQLJH-GNRWMPSGSA-N 445.434 7.293 30 10 IKEE O=C1/C(=C\c2ccc(F)cc2)S/C(=N/N=C/c2ccc(Cl)cc2)N1Cc1ccco1 1615301388 BLULKBMRLJLRBD-RZBRCAFVSA-N 439.899 5.579 30 10 IKEE O=C1/C(=C\c2cccc3ccccc23)S/C(=N/c2cccnc2Cl)N1C1CCCCC1 1615325111 NVMIRHWBFVMQRT-RFZUPXKPSA-N 447.991 6.825 30 10 IKEE COc1ccc(C(=O)ON=C2CC(C)(C)Cc3c2cc(C)n3-c2ccc(Cl)cc2)cc1 1772728401 LQYALUXLASPMLF-UHFFFAOYSA-N 436.939 5.981 30 10 IKEE CC(C)c1ccc(/C=C2/SC(=Nc3cccnc3Cl)N(c3ccccc3)C2=O)cc1 1772735318 SJZCNOYVEBIHJZ-ZJRBDENDSA-N 433.964 6.667 30 10 IKEE N#CCc1ccnc(-c2ccccc2OC(F)(F)F)c1-c1ccccc1OC(F)(F)F 1848361957 UJRDFKXJPXKUPX-UHFFFAOYSA-N 438.327 6.279 30 10 IKEE Cc1cc(C)cc(NC(=S)N/N=C\c2cn(-c3ccccc3)nc2-c2ccccc2)c1 1857810769 DZOFHYQEGMALDN-QQXSKIMKSA-N 425.561 5.477 30 10 IKEE CC(C)(C)c1ccc(C(=O)NCc2ccc(OC(=O)Nc3ccccc3C#N)cc2)cc1 1858897885 BHGARZFTZQVSRY-UHFFFAOYSA-N 427.504 5.397 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc3c(OC(=O)c4ccc(Cl)cc4F)cccc23)c1 1858929958 KRBLRSWXCKJERP-UHFFFAOYSA-N 444.849 5.975 30 10 IKEE CCc1ccc(OCCCC(=O)Nc2sc3c(c2C#N)CCC3)c(Br)c1 1859479931 DBUPJEFPPJASAB-UHFFFAOYSA-N 433.371 5.231 30 10 IKEE N#Cc1c(NC(=O)Cc2ccc(Cl)cc2Cl)oc(-c2ccccc2)c1-c1ccccc1 1859650525 SXIVIEZAGZTMLR-UHFFFAOYSA-N 447.321 6.973 30 10 IKEE Cc1ccc(NC(=O)CSc2nc(O)c(C#N)c(-c3cccc(Cl)c3)n2)cc1Cl 1860463621 KKYUSJIZARDQIR-UHFFFAOYSA-N 445.331 5.067 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(C(=O)O)cc1 1862384341 RUVRGKKEUYGUCH-SFHVURJKSA-N 448.302 5.070 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2cccc(F)c2)cc1 1862390944 PAHHFFYWSAOPGE-HSZRJFAPSA-N 439.527 5.172 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2ccccc2Cl)cc1 1862391538 CHFGTMUEKGSUMR-JOCHJYFZSA-N 441.955 5.297 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862404923 ISDZJAKWWCMCLT-HXOBKFHXSA-N 435.564 5.678 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccc(Cl)cc2Cl)cc1C 1862408409 LJZWWKSKXPMWAG-LJQANCHMSA-N 432.303 5.051 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccccc1Cl 1862417298 QIKYMYXLECVXJH-FQEVSTJZSA-N 433.882 5.777 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CC(C)C)cc1 1862452214 XKZZXNGEDSLSQP-JOCHJYFZSA-N 440.971 5.421 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1cccc(F)c1)c1c(F)cc(F)cc1F 1862457810 YOUSUADAJCDTLT-NRFANRHFSA-N 447.428 5.544 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1cccc2ccccc12 1862459851 FGZZWZWWCVQRLB-OAQYLSRUSA-N 425.406 5.244 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OCC)c(OC)c1 1862487465 BJMFLYFYPFIODN-QHCPKHFHSA-N 437.536 5.171 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccccc2F)c1 1862489776 GOASGMKGHKHDBG-DEOSSOPVSA-N 429.491 5.529 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(F)cc1 1862490165 OXYXBHCCAOGESW-XMMPIXPASA-N 437.555 6.381 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cc(Br)ccc1F 1862497058 APPQNEDHTVDWQG-IBGZPJMESA-N 446.316 5.193 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862501565 FUOSZTHZUCWTGO-BVZFJXPGSA-N 443.518 6.036 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2cccc(OCC)c2)cc1 1862519446 KIZXRXWSVFELDP-HSZRJFAPSA-N 437.536 5.108 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc(Br)c3)=C(O)C(=O)N2CCC(C)C)cc1 1862523577 KOZCAUOUPKPZEQ-HXUWFJFHSA-N 442.353 5.382 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 1862538069 COZPVJSDERIHGA-VBKZILBWSA-N 431.454 5.645 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccccc2)cc1 1862616592 USAQBSHFEYIHBU-RUZDIDTESA-N 443.587 6.453 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(C)cc1 1862625950 QXJOKLIJUKWFEI-DEOSSOPVSA-N 449.547 5.663 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc2ccccc12 1862657283 WTDIVLJHCICSQD-OAQYLSRUSA-N 448.862 5.142 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 1862664306 HNDFVAXHYJKNIM-XMMPIXPASA-N 445.515 5.580 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1c(F)cccc1Cl 1862666590 HTIQZZCODAZGMC-NRFANRHFSA-N 429.919 5.837 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCc2ccccc2)cc1 1862674525 OAMXODUNGUEQHE-XMMPIXPASA-N 429.491 5.345 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCCc2ccccc2)cc1 1862674761 SOZJAIOYLLUNDI-VWLOTQADSA-N 443.518 5.735 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(F)cc1F 1862725323 GTHVHHFKIWZPNX-XMMPIXPASA-N 447.481 6.010 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Br)c(Cl)c2)=C(c2ccc(C)c(C)c2)C1=O 1863258568 KKVODEJEESKJQD-UHFFFAOYSA-N 445.744 5.097 30 10 IKEE CC(C)Oc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 1863356733 JELXVKPCMGAHKO-FDDCHVKYSA-N 443.547 5.116 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccccc3C#N)C(=O)N(Cc3ccccc3Cl)C2=O)c1 1863408390 GOPYWURKMWHMDU-UHFFFAOYSA-N 441.918 5.221 30 10 IKEE CCCCCCCCCCNC(=O)c1cc(N2CCCCS2(=O)=O)ccc1Cl 1868185210 COYJGKIMHGWCSJ-UHFFFAOYSA-N 429.026 5.141 30 10 IKEE CCCOc1cn(Cc2ccc(C)cc2)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870181679 PPVTWGGVOOKWMK-UHFFFAOYSA-N 447.604 5.478 30 10 IKEE CCCCCCCOc1cn(C[C@H]2CCCO2)c(CN(C)Cc2ccccc2)cc1=O 1870410768 FEAOTZPSGJCIQX-XMMPIXPASA-N 426.601 5.009 30 10 IKEE C=CCOc1cn(CCCCCCCCCC)c(CNc2cc(Cl)ccc2C)cc1=O 1870812758 IMGLMYMVAZDYNZ-UHFFFAOYSA-N 445.047 7.128 30 10 IKEE CCCCCCCOc1cn(CCCOC(C)C)c(CNc2cccc(Cl)c2)cc1=O 1870837378 CMQACQFOIASHOF-UHFFFAOYSA-N 449.035 6.278 30 10 IKEE CCCCCCCOc1cn(Cc2ccccn2)c(CNc2cccc(N(C)C)c2)cc1=O 1870838263 WFVJRKNXPLUVKW-UHFFFAOYSA-N 448.611 5.319 30 10 IKEE CCCCC[C@@H](CC)N1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(CC)cc1)C3=O 1871347827 YGMFNGPMPDIYSC-SYANTJLKSA-N 433.592 6.684 30 10 IKEE CCOc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN([C@H]2CCCC[C@@H]2C)C4)cc1 1871351219 QFJGVOHOLZEDLV-WTBALWEVSA-N 433.548 5.741 30 10 IKEE CCCCC[C@H](CC)N1COc2c(cc3c(c2C)O/C(=C\c2ccc(OC)cc2)C3=O)C1 1871353175 ILUNZDNYTBBWRU-ZJVWCJDDSA-N 435.564 6.131 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(Cl)c(Cl)c4)c3C)C2=O)c1 1871372506 WEVRFTPZQLZSNE-NHDPSOOVSA-N 439.294 6.446 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OC(=O)c4cccc(OC(C)C)c4)c3C)C2=O)c1 1871388273 MRYGEOXSEIGXIR-OYKKKHCWSA-N 428.484 5.926 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)c1 1871388615 FTYXMBQXKIFRET-MYYYXRDXSA-N 441.483 5.153 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCCOc4ccc(C(C)(C)C)cc4)ccc3C2=O)c1 1871414193 BGIDIOOGXUTRQK-ONUIUJJFSA-N 444.527 6.067 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OCc4ccc(C#N)cc4)cc(C)c3C2=O)cc1 1871417081 ALMHPVFKBGMFEC-YSMPRRRNSA-N 438.527 5.908 30 10 IKEE CCCCCCOC(=O)COc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O 1871421984 PWQUDONKULULDF-BKUYFWCQSA-N 432.875 5.598 30 10 IKEE CCCCCCCCCOc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 1871429224 AJIAQRBECVUOLS-ANYBSYGZSA-N 440.583 8.099 30 10 IKEE Cc1c(OCc2cccc(Oc3ccccc3)c2)ccc2c1O/C(=C\c1ccccc1)C2=O 1871436986 VEPJKAMNHKSPGB-IMRQLAEWSA-N 434.491 6.983 30 10 IKEE Cc1cc(C)c(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)c(C)c1 1871458831 NBCRNGGVMLEWQB-FMCGGJTJSA-N 431.463 5.385 30 10 IKEE CCCCCCCCN=c1nc(N2C[C@@H](C)C[C@H](C)C2)[nH]c(=NCCCCCCCC)[nH]1 1871469245 WBZANHUSBGKOHJ-GOTSBHOMSA-N 446.728 5.743 30 10 IKEE CCCCCCCCN=c1nc(N2C[C@H](C)C[C@@H](C)C2)[nH]c(=Nc2ccccc2CC)[nH]1 1871559218 OHDMDNGMFAMJJC-NHCUHLMSSA-N 438.664 5.276 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 1872229772 GCBWMBWFHVPTJO-NRFANRHFSA-N 434.989 5.023 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872251935 BGUSCBXIGUJJDP-XMMPIXPASA-N 442.625 5.376 30 10 IKEE N#C[C@@H](C(=O)/C=C/c1ccc(Cl)c(Cl)c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1872759212 HFJFESYXVFYULT-ZKKXHLJNSA-N 444.299 5.915 30 10 IKEE N#C[C@@H](C(=O)c1cccc(Oc2ccccc2)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872763690 RXLFFKYRKRINRC-NRFANRHFSA-N 441.468 6.001 30 10 IKEE N#C[C@@H](C(=O)/C=C/c1ccc(Cl)cc1Cl)c1nc(-c2ccccc2Cl)cs1 1872764463 NVWIBBUQMBXILX-VFADXPBXSA-N 433.747 6.660 30 10 IKEE N#C[C@H](C(=O)CCCOc1ccccc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872769101 JRWZXTVDQWDXBO-MRXNPFEDSA-N 431.344 6.152 30 10 IKEE C[C@H](Oc1ccc(Cl)cc1)C(=O)[C@H](C#N)c1nc(-c2cccc3ccccc23)cs1 1872775717 YHACMHRGSWQQSE-BTYIYWSLSA-N 432.932 6.260 30 10 IKEE COc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1OC 1872776994 CYQNCDSRZDKKEF-UGAXZCSASA-N 429.501 5.198 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)cc1C 1872783997 NDBOYEHSZUSIDP-MRXNPFEDSA-N 436.449 5.042 30 10 IKEE C=CCNC1=C(c2ccc(-c3ccccc3)cc2)C(=O)N(CCCCCCCCCC)C1=O 1873085954 OWSRMZJVKICRJL-UHFFFAOYSA-N 444.619 6.350 30 10 IKEE CCCCCCCCCCNC1=C(c2cccs2)C(=O)N([C@@H](CC)CCCCC)C1=O 1873155652 BOHJPFDMLXAAII-NRFANRHFSA-N 446.701 6.917 30 10 IKEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3cccc(OCCC)c3)c(=O)oc2c1 1873922809 LNIILEOCHLDUMR-UHFFFAOYSA-N 435.520 5.416 30 10 IKEE CCCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc(CC)cc1 1874232973 WRYSYCLHLSHZRJ-ZXVVBBHZSA-N 428.605 6.163 30 10 IKEE C=C(C)CSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1c[nH]c2ccccc12 1874246145 OXHTXOPBQXRTAO-JVWAILMASA-N 445.592 5.630 30 10 IKEE CCCCC1CCC(c2nnc(SC)n2/N=C/c2cccc(OC)c2OCCC)CC1 1874285925 GBUVBUAZRQDRSX-KOEQRZSOSA-N 444.645 6.144 30 10 IKEE Cc1ccc(OCc2nnc(SCCc3ccccc3)n2/N=C/c2ccc[nH]2)c(C)c1 1874327880 LYQGRGOIVNDQKT-WGOQTCKBSA-N 431.565 5.019 30 10 IKEE C=CCSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1c(F)cccc1Cl 1874331518 QMXLAQGJBFNKHW-AFUMVMLFSA-N 428.964 5.633 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2C)n1/N=C/c1cccc2ccccc12 1874362802 XGYNNVXKQPNDFN-WPWMEQJKSA-N 426.589 6.075 30 10 IKEE Cc1ccc(/C=N/n2c(CCc3cccs3)nnc2SCc2cccc(F)c2)cc1 1874370410 YGQFAPMZBNQCFK-MFKUBSTISA-N 436.581 5.747 30 10 IKEE CSc1nnc(COc2ccccc2)n1/N=C/c1ccc(OCc2ccccc2C)cc1 1874382488 RTTDIJBVIYMLFM-WGOQTCKBSA-N 444.560 5.349 30 10 IKEE COc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2ccccc2Cl)c(OC)c1 1874489857 OJRYCPXQNATBJZ-ZMOGYAJESA-N 444.988 5.322 30 10 IKEE CCCOc1ccc(/C=N/n2c(C)nnc2SCc2cccc(Cl)c2)cc1OCC 1874535777 WBILALBNOKYWEA-ZVHZXABRSA-N 444.988 5.602 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCc3ccccc3C)ccc3ccccc23)cc1OC 1874572909 LGIALXIMVZVLDG-CCEZHUSRSA-N 438.523 6.641 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2c(OCCCO)ccc3ccccc23)cc1OCCC 1874576179 AQKFIJMNAXJSHL-OUKQBFOZSA-N 448.559 6.075 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccccc2OCC(=O)N[C@H](C)c2ccccc2)c1C 1874587150 YBLILSJUOXJAQR-POICXBNUSA-N 441.571 6.073 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OCc1ccc(Cl)c(Cl)c1 1874595343 GNYOSOQTKGOBCM-RMKNXTFCSA-N 447.745 7.131 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1F 1874597398 JWOOPQPPDNVTPU-RMKNXTFCSA-N 431.290 6.616 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc(Cl)c2)c(Cl)c1)c1ccc2ccccc2c1 1874602554 RZCTVFZJTZXKEQ-XYOKQWHBSA-N 433.334 7.622 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 1874616368 WDJBRJHRKUPOFS-SDNWHVSQSA-N 449.934 5.961 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3cc(C)cc(C)c3OC)cc2)o1 1874629484 FRYWYXBPIQXDPV-XYOKQWHBSA-N 434.488 5.557 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCc3c(F)cccc3Cl)c(Cl)c2)cc1C 1874631857 YCDRPYTZSPLTES-JXMROGBWSA-N 429.318 7.224 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3c(OC)cccc3OC)c2)cc1 1874695652 MNFXAQYOLMAKRP-OBGWFSINSA-N 444.527 6.162 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OC(=O)c1cc2ccccc2n1C 1874698708 KGYUFIVJVUCFNY-WYMLVPIESA-N 441.483 5.311 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(Cl)cc3)c2)cc1 1874700260 JABFOXJIUPXMCT-LNKIKWGQSA-N 436.891 5.863 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(Cl)cc1 1874700759 LDSQQSPNBWDTSI-NYYWCZLTSA-N 431.702 6.762 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(N(C)C)cc3)c2)c(C)c1C 1874712439 XHLISSIJTKZPNU-OQLLNIDSSA-N 429.516 5.493 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(Cl)cc3)c2)c(C)c1C 1874712940 XPXBAWUSSHXIOR-UKTHLTGXSA-N 434.919 6.010 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(Cl)c(Cl)c3)c2)cc1C 1874713792 NXTKEOJLTUVXMD-DHZHZOJOSA-N 439.338 6.654 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(OC)c1OC(=O)c1ccccc1 1875096014 SEIZUOYACWBUAV-SAPNQHFASA-N 448.518 6.692 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)COCc3ccccc3)c(OC)c2)cc1 1875101374 MTHHAUSPVRWZAW-RVDMUPIBSA-N 430.500 5.276 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1Cl)c1ccccn1 1875104761 MWUXCEJFSBWGRM-XBXARRHUSA-N 432.690 6.157 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(F)c3)cc2)cc1 1875162033 STASMWJHWFVTHB-OVCLIPMQSA-N 436.454 5.798 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1OC 1875191077 YQCSRUUCDXXKSZ-XYOKQWHBSA-N 435.347 6.774 30 10 IKEE C=CCn1c(C(=O)N(CCC)CCCC)cc2c(NCCCCCCCC)ncnc21 1875230331 UOKRCLAEQKSMDZ-UHFFFAOYSA-N 427.637 6.042 30 10 IKEE C=C(COCc1ccccc1)[C@@H](O)c1cc(NC(=O)OC(C)(C)C)ccc1Br 1922078896 ARBDAKLIWWYHLV-HXUWFJFHSA-N 448.357 5.603 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H](CNC(=O)OC(C)(C)C)CC1CCCCC1 1922087248 XHEGBTSOJJRXDA-RPBOFIJWSA-N 444.660 5.849 30 10 IKEE Cc1cc(Br)sc1[C@H](C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1950825609 ZPBDZHIBMNXFQU-ZDUSSCGKSA-N 427.389 5.883 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@H](C2CCC2)C1 2018428434 JOQAUZRCROFQEB-CYFREDJKSA-N 435.609 5.341 30 10 IKEE C=CCCCCCC[C@@H](N)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2026000765 APYGDLWPLZVMDL-ZEQKJWHPSA-N 430.633 5.684 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C1 2037316558 AOBWJAGTSUQJTM-DEOSSOPVSA-N 445.535 5.251 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Br)c1Cl)NCCC 2063089559 BNDUDLSGRLUGAI-CVEARBPZSA-N 431.802 5.093 30 10 IKEE CC1(c2nn(-c3ccc(F)c(C(F)(F)F)c3)c(Br)c2C(F)(F)F)CC1 2079834913 UUXBDKMVIAUOPQ-UHFFFAOYSA-N 431.149 5.863 30 10 IKEE CCCc1ccc([C@@H](n2nc(C(F)F)c(C=NO)c2Br)C(C)(C)C)cc1 2079928839 LZLWQELCWXRWRX-MRXNPFEDSA-N 428.321 5.979 30 10 IKEE Fc1ccc(C(F)(F)F)cc1-c1c(C(F)(F)F)nn(C2CCSCC2)c1Cl 2080868362 ZEWUZZVKCALYDI-UHFFFAOYSA-N 432.792 6.448 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1c1c(C2CCCC2)nn2c(Cl)c(C#N)cnc12 2081260415 BRYNYMOJQWYXBI-MRXNPFEDSA-N 429.952 5.374 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](c2c(C3CCCCC3)nn3c(Cl)c(C#N)cnc23)C1 2081502857 KBSKQIGJMRKEFT-HNNXBMFYSA-N 429.952 5.026 30 10 IKEE Cc1cc(Br)c(C(=O)N2CCC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)cc1Cl 2154430032 XDQGZJPYHZYTJR-CYBMUJFWSA-N 442.590 5.109 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(CCC[C@@H]2Nc2cc(Br)c(C#N)cc2F)C1 2162323555 ONWHCWANYIGHRJ-PXNSSMCTSA-N 438.341 5.051 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)C1(C#N)CCC2(CCCN2)CC1 2167914795 VRPRIUFYVJHQRS-UHFFFAOYSA-N 434.378 5.149 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1ncoc1C1CCC1 2169514011 GLSMYTKAPFBTJZ-MRXNPFEDSA-N 432.318 5.711 30 10 IKEE CC[C@H]1CC=C(C(=O)[C@H](Cc2cccc(Br)c2)NC(=O)OC(C)(C)C)CC1 2237409718 IXYLOVVHIJAXBG-KXBFYZLASA-N 436.390 5.591 30 10 IKEE CCN1C(=O)C(=C2Sc3ccc(Cl)cc3N2CC)SC1=Nc1ccc(F)cc1 2295201899 MQPMPYKFHPMQJI-UHFFFAOYSA-N 433.961 5.863 30 10 IKEE C=CCOc1ccc(C=C2SC(=Nc3ccc(CC)cc3)NC2=O)cc1Br 2297561667 SAOLDZFRNIJFBY-UHFFFAOYSA-N 443.366 5.468 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc3c2[C@H](c2ccc4ncccc4c2)CC(=O)O3)C1=O 2297591486 UTXXZOLHNGBYPU-FQEVSTJZSA-N 449.462 5.301 30 10 IKEE C=C(CC=C(C)CCC=C(C)C)C(C[C@@H]1c2c(cc3c(c2OC)OCO3)CCN1C)=NO 2297595804 KUNNXNOAUCFJRF-JOCHJYFZSA-N 440.584 5.812 30 10 IKEE CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 2299161320 JBVGOLHAKKHIDM-ZWKOTPCHSA-N 449.979 5.619 30 10 IKEE COc1ccc(C=CC(=O)Nc2sc(=S)c3c(c2C#N)CC[C@H](C)C3)c(OC)c1 2314793612 VESHYIXGUZTNJB-ZDUSSCGKSA-N 426.563 5.143 30 10 IKEE Cc1ccc(COc2ccccc2C=NNc2oc([C@@H]3C[C@H]3c3ccccc3)nc2C#N)cc1 2320839992 OFEYFVLQLXDRNJ-BJKOFHAPSA-N 448.526 6.151 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1c[nH]c2cc(Cl)ccc12 2321773095 LBBVAJWKHSZMGW-UHFFFAOYSA-N 427.936 5.679 30 10 IKEE CCCCC[C@@H](CC)N1COc2ccc3c(c2C1)OC(=Cc1ccccc1Cl)C3=O 2322071704 CADFCGUGDASTTJ-GOSISDBHSA-N 425.956 6.467 30 10 IKEE Cc1cccc(CN2COc3cc(C)c4c(c3C2)OC(=Cc2ccc([N+](=O)[O-])cc2)C4=O)c1 2322218146 YZHBQQFKHSTIEK-UHFFFAOYSA-N 442.471 5.180 30 10 IKEE CCOc1ccccc1C=C1Oc2c(cc3c(c2C)OCN(C2CCCCCC2)C3)C1=O 2322359604 QWTUNZTUTZDXQT-UHFFFAOYSA-N 433.548 5.885 30 10 IKEE Cc1c(OC(=O)Cc2ccccc2)ccc2c1OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2322884756 MSHHHRLGLCKLRM-UHFFFAOYSA-N 426.512 6.057 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccccc1OCc1ccccc1Cl 2322922722 HMFPLNKPJWMVDZ-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cccc(OCC(=O)Nc2ccc(C)cc2)c1 2323260201 HVJVXVLGICOIGV-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE CCCCCCCCCOc1ccc(C=NNS(=O)(=O)c2cccs2)c(Cl)c1 2323424251 KLDNBKYPPIBDFN-UHFFFAOYSA-N 443.034 5.843 30 10 IKEE CCCCCOc1ccc(C=Nn2c(COc3ccccc3)nnc2SC)cc1OC 2323585133 GUDAIJOBOIKPOT-UHFFFAOYSA-N 440.569 5.039 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OC(=O)c4cccc(OCC)c4)cc(C)c3C2=O)cc1 2323802760 KJGMJLWPFJHNDA-UHFFFAOYSA-N 444.483 5.628 30 10 IKEE CCOc1cc(C=NNc2nc(-c3ccc(C)cc3C)cs2)cc(Cl)c1OCC 2323865484 HVDVQCOLNONZKP-UHFFFAOYSA-N 429.973 6.324 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1cc(C)cc(C)c1 2323915023 ZDAYAYGTVPBBDP-UHFFFAOYSA-N 443.543 5.924 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OCC(=O)Nc1ccccc1 2323921218 YDFBJHJUQCHVNV-UHFFFAOYSA-N 441.527 5.646 30 10 IKEE Cc1cc(O)c(CN2CCC(Cc3ccccc3)CC2)c2c1C(=O)C(=Cc1cccnc1)O2 2324029871 MJGFAIHMODEQBB-UHFFFAOYSA-N 440.543 5.167 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OCc1ccc(F)cc1 2324280821 DJPGHLYPABUZSA-UHFFFAOYSA-N 448.534 6.750 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)Nc2ccc(F)cc2)cc2c1C(=O)C(=Cc1ccc(F)cc1)O2 2324317577 MWDWVVNNNGEJHF-HNNXBMFYSA-N 435.426 5.295 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c1C 2324332648 DFFRFMDKTIHPSN-UHFFFAOYSA-N 431.507 5.973 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2cccc(C)c2)C3=O)cc1 2324380668 CYQFKGZJPXEHBU-LJQANCHMSA-N 427.500 5.634 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2ccc(OCc3ccccc3C)cc2)cc1Cl 2324589055 BLWKPCKEFMRREI-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE COc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc1OC 2324647871 XHXQZAKJABBMLY-FQEVSTJZSA-N 432.545 5.840 30 10 IKEE COc1ccc(OC)c(C=C2Oc3cc(OCc4cc(C)c(C)cc4C)cc(C)c3C2=O)c1 2324765112 AHKWCZFTMRRRFH-UHFFFAOYSA-N 444.527 6.133 30 10 IKEE COC(=O)c1ccc(COc2ccc3c(c2C)OC(=Cc2c(F)cccc2Cl)C3=O)o1 2325381971 VTVSVCJTVVUOTM-UHFFFAOYSA-N 442.826 5.362 30 10 IKEE O=C(Oc1cccc(C=CC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc2c(c1)OCO2 2325709624 LHCOSUFBPBNFDR-UHFFFAOYSA-N 441.266 5.837 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1OC(=O)c1ccccc1F 2325746052 RFNVRSZSKXURSP-UHFFFAOYSA-N 432.491 6.247 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2ccc(C)c(C)c2)cc1OC(=O)C(C)(C)C 2325760266 RKWZAWGICINNOF-UHFFFAOYSA-N 445.353 5.922 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)c(C)c1 2325764921 KYIIIYZVFPGHBA-UHFFFAOYSA-N 449.890 6.289 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1cccc(O)c1 2325909379 KPZOYIUGQFGJGE-UHFFFAOYSA-N 449.363 5.420 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(OC)cc1OC 2326360276 SFCOXZSJDYHGGJ-UHFFFAOYSA-N 430.961 5.076 30 10 IKEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccccc1OCC(C)C 2326489441 CAVVJCDOTFPARY-UHFFFAOYSA-N 449.407 6.103 30 10 IKEE CCCCOc1ccc(C=Nn2c(CCc3ccc(Cl)cc3)nnc2SCC)cc1 2328051535 XADYBPQIYQXWQD-UHFFFAOYSA-N 443.016 5.890 30 10 IKEE COc1cccc(C=Nn2c(Cc3cccs3)nnc2SCc2ccccc2F)c1 2330392251 SBQNBHDVTVNQFH-UHFFFAOYSA-N 438.553 5.253 30 10 IKEE CN(C)c1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2-c2ccccc2)cc1 2330641057 GEVXZUVHIPACPB-UHFFFAOYSA-N 431.540 5.325 30 10 IKEE Oc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2-c2ccccc2)cc1 2330682877 USGQRPMOTZVNIM-UHFFFAOYSA-N 436.540 5.978 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1Cl 2330807588 HWEFCRZHHQUREA-UHFFFAOYSA-N 445.729 7.071 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C(F)(F)F)cc1 2331124139 XWLFMMCMYCJVGI-UHFFFAOYSA-N 449.458 5.503 30 10 IKEE C[C@H](C(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-])c1ccccc1 2331149798 UIPHMNMHMZVNCE-INIZCTEOSA-N 435.863 5.853 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)COc1ccc(C)cc1C 2331281744 MWVKEIBPTGOZGX-UHFFFAOYSA-N 444.527 5.891 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3)cc2OCC)c1 2331282117 FQPKORRPLKAIAU-UHFFFAOYSA-N 430.500 5.908 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)c1cnc(C)cn1 2331312306 GGXYTEYYFFWWLG-UHFFFAOYSA-N 436.895 5.179 30 10 IKEE CCCCc1nnc(SC)n1N=Cc1ccc(OCCCc2ccccc2)c(OC)c1 2331313497 NCMKBKWBEGBOQH-UHFFFAOYSA-N 438.597 5.245 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2Cl)c1 2331320082 HFKXUXAQSSDBRE-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)CC3CCCCC3)c([N+](=O)[O-])c2)ccc1F 2331339279 UVVWSEQGTAZBRM-UHFFFAOYSA-N 425.456 5.814 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)CCc2ccc(Cl)cc2)cc1 2331352372 NRWBHBYPKPCVHT-UHFFFAOYSA-N 434.919 6.091 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1Cl)c1ccccc1F 2331472639 JZCHIPOJALLSBN-UHFFFAOYSA-N 430.862 6.748 30 10 IKEE Cc1cc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])ccc1F 2331527579 IOAYUMYYCGYBCK-UHFFFAOYSA-N 437.398 5.226 30 10 IKEE COc1cc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C2CCC2)ccc1O 2331546262 AHCZXAFOWRWOMV-UHFFFAOYSA-N 446.935 5.227 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)CC1CCCCC1 2331653464 JYCBRHQEGQCWQQ-UHFFFAOYSA-N 448.603 7.091 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)Cc2ccccc2Cl)cc1 2331872756 VPSFVUDTGCGUAE-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2OC)ccc1OC(=O)c1ccccc1 2331879019 UPUODQNIIKTCOA-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3)cc2)c(OC)c1OC 2331885579 SVRPKHSIDKQCOZ-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE CC1(C)OB(/C=C/c2ccc(Oc3ccccc3I)nc2)OC1(C)C 2339590972 VGWDYKLZXKUBSY-VAWYXSNFSA-N 449.097 5.123 30 10 IKEE N#CC1(Cc2ccc(I)c(Br)c2)CCC(F)(F)CC1 2349876911 AEGMGDULLTXSBS-UHFFFAOYSA-N 440.069 5.315 30 10 IKEE CCc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 9597340 RRBLGNUYBZGXNA-QHCPKHFHSA-N 440.591 5.906 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(N(C)C)cc1 9761130 XSIUJHPKASYGPA-QHCPKHFHSA-N 446.934 5.497 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/N=c2\sc3ccccc3n2C)cc1 12570582 SUJKNPSDMCLOGD-HPAFKQQASA-N 439.544 5.036 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccs2)cc1 21226775 MKBAHUZRQGVOGO-DWXRJYCRSA-N 430.573 6.516 30 10 IKEE CCCn1cc(CN/C(=N/C(=O)c2cccc(Cl)c2)Nc2ccccc2CC)c(C)n1 32972974 ZOMLUJMHUHWOBA-UHFFFAOYSA-N 437.975 5.215 30 10 IKEE C=CCOc1c(Cl)cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC 33349371 XFGBGNKWVWVKLQ-LICLKQGHSA-N 436.316 5.808 30 10 IKEE CCCCOc1ccc(C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3o2)cc1 33457374 RWBUZTSQHYLNPR-OQKWZONESA-N 442.471 6.338 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)Cc3ccc(-c4ccccc4)cc3)cc21 38707857 MRUUYYNJLJDTSU-UHFFFAOYSA-N 440.543 5.472 30 10 IKEE Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1Nc1ncnc(Cl)c1[N+](=O)[O-] 40571143 LMYPTPROONVBIL-AWEZNQCLSA-N 448.697 6.053 30 10 IKEE CCn1cc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccco2)C4)c2ccccc21 41650889 DIOFUNJJEJGPPS-MSXFZWOLSA-N 440.499 5.531 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(ccc(OC(=O)c4cccc(C)c4)c3C)C2=O)cc1 62926581 IHZZRZYHTQVVAU-UQQQWYQISA-N 441.527 5.985 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H](CNc2nc3ccccc3n2Cc2ccc(C#N)cc2)C1 95085305 YMXYYURGMXAHNE-NRFANRHFSA-N 445.567 5.015 30 10 IKEE CCCCCCCCn1c(CCCCCNC(=O)c2ccc(F)cc2)nc2ccccc21 102172275 IOXXUYDCBZNIRU-UHFFFAOYSA-N 437.603 6.679 30 10 IKEE Cc1nnc(S)n1/N=C\c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 169909423 WGBXQLOCKZJUKU-PGOXGVTESA-N 438.560 5.113 30 10 IKEE CCCCCOc1ccccc1[C@H]1NC(=S)N(CCC)C(C)=C1C(=O)c1ccccc1 169928728 XCJSHZQAYMMJBY-XMMPIXPASA-N 436.621 6.054 30 10 IKEE CCN1C(=S)N[C@@H](c2cccc(Oc3ccccc3)c2)C(C(=O)c2ccccc2)=C1C 169931461 BPGOORISTJZBAT-DEOSSOPVSA-N 428.557 5.887 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2c2ccc(C)cc2)c1 169934834 USQBOVOFXYPONS-XMMPIXPASA-N 443.499 5.104 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccc(N(C)C)cc2)c1 169952942 NVZCGWRKRGVNDJ-HSZRJFAPSA-N 446.934 5.497 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2cccc(C)c2)c(C)c1 169968248 XBOIKRMIIAMKRR-HSZRJFAPSA-N 449.453 5.373 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2CCC)cc1 169976214 AUCLPJWLRBROOM-DEOSSOPVSA-N 449.547 5.179 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(OC(C)C)cc2)cc1 169979341 PXZXAOULZJQLEJ-XMMPIXPASA-N 449.547 5.393 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccnc1 170006161 DOQIUFGQGQNQDB-HXUWFJFHSA-N 439.298 5.480 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1cccnc1 170009229 VEUIQZPVMBIVGY-QFIPXVFZSA-N 443.890 5.308 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1)c1cc2ccccc2o1 170063168 PDAAZQFXMGCVCC-QFIPXVFZSA-N 447.849 6.008 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(Cl)cc2)=C(N2C[C@@H](C)C[C@@H](C)C2)C1=O 170069798 BOLDTLSBTJCNGR-KDURUIRLSA-N 431.020 5.758 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccc2F)cc1 170072471 ZYGRCIMTAOFDSM-QHCPKHFHSA-N 449.453 5.142 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1c[nH]c2ccccc12)c1cccc(Cl)c1 170074808 KCOWBXOUCINTHL-QFIPXVFZSA-N 444.874 5.310 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1c[nH]c2ccccc12 170075596 BOILJXZJLMJWCT-HSZRJFAPSA-N 426.447 5.398 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1ccccc1OC 170125569 URIKZHWBBJEVAJ-HSZRJFAPSA-N 437.536 5.251 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2c2cccc(F)c2)c1 170140139 QMQUIQUUQPJQDP-VWLOTQADSA-N 441.502 5.796 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2cccc(F)c2)c1 170140333 SWLNUAMBERIQGD-VOIUYBSRSA-N 443.474 5.240 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccs2)c1 170161557 RYIKVWVWKKKMHE-HXUWFJFHSA-N 439.920 5.501 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccn2)cc1C(C)C 170179168 YYFYUVRFTCUCEC-XMMPIXPASA-N 448.563 5.515 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccncc2)c1 170206168 PYLUXVJIGPZJMX-JOCHJYFZSA-N 448.906 5.225 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@H]1c1ccc(OCC)cc1 170213892 LOPGVVRGIRISKQ-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@H]1c1ccccc1 170225904 IQELDPALYXBMAS-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccc2)cc1C(C)C 170228770 NVYPTMSOFACXMJ-VWLOTQADSA-N 441.527 5.910 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccccc1 170228926 SQSWMQCSBKWFBT-BXKMTCNYSA-N 425.484 5.101 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(F)cc2)c1 170244198 WWUORVAFWRXWTG-HXUWFJFHSA-N 429.875 5.009 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1c[nH]c2ccccc12)c1ccc2c(c1)CCCO2 170256585 ACPDKIIQAZGSHC-XMMPIXPASA-N 442.515 5.014 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccco2)ccc1OCC(C)C 170290224 AXBQWCKJBHUXKR-DEOSSOPVSA-N 445.515 5.714 30 10 IKEE Cc1nc(-c2ccccc2)sc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccco1 170292184 MUQWWSMWOVQZSF-LJQANCHMSA-N 446.484 5.083 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(C)o2)cc1 170299725 FUBIGROOAOUQHY-QFIPXVFZSA-N 435.451 5.299 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2C2CCCCC2)o1 170308320 PYCDAJOAOLCZAD-QHCPKHFHSA-N 437.536 5.595 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2sccc2C)c(OC)c1 170314223 VNWYLBQUBCCKEO-OAQYLSRUSA-N 449.528 5.165 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1Cc1ccncc1 170317253 UWARBRYQEWVPLB-NRFANRHFSA-N 448.544 5.017 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1cccc(O)c1)c1cccs1 170387515 MJPJTHZNKOFQRW-SFHVURJKSA-N 445.418 5.255 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(Oc3ccccc3)cc2)c1 170461048 GBVSLPIJQKJUMX-XMMPIXPASA-N 441.527 6.303 30 10 IKEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)C(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 170471404 SRLGCTHGBTUZOA-QHCPKHFHSA-N 435.564 5.504 30 10 IKEE CCCCCCCCCCOc1ccc(N=Cc2ccc(O[C@@H]3COCC=C3C)cc2)cc1 254494844 PJJHGXVGZRWLMN-GDLZYMKVSA-N 449.635 7.681 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(OC)c(OCc3ccccc3Cl)c2)SC1=S 254512135 HHWZJVZFFDQEHR-XDHOZWIPSA-N 431.966 5.315 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(=NNC(=S)Nc3cc(C)ccc3C)c3ccccc32)c1 254855099 DXNQNHGRGUXLJH-UHFFFAOYSA-N 442.588 5.158 30 10 IKEE O=C1C(=Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2N1Cc1ccccc1 254876001 CKGJZJREDJNKSD-UHFFFAOYSA-N 448.366 6.392 30 10 IKEE C/C=C/[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C 257353533 RTCKAOKDXNYXEH-GPBXVHDQSA-N 431.620 5.959 30 10 IKEE C[C@H](C[C@H]1CCCCCN1C(=O)OC(C)(C)C)Nc1ccc(C#N)cc1Br 312143027 RGMOHNWLUSBDER-NVXWUHKLSA-N 436.394 5.691 30 10 IKEE CCOc1ccc([C@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1Cl 526609222 SAZPVYFWTOWRTL-DEOSSOPVSA-N 444.918 5.976 30 10 IKEE CCCCCCOc1ccc(/C=N\n2cnnc2SCc2ccc(C)cc2)cc1OC 526803753 LHGIUJVMLAUGRN-QQXSKIMKSA-N 438.597 5.729 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccccc2Cl)c1 526809151 VVOSLCOKSVEKRZ-PKAZHMFMSA-N 447.007 6.200 30 10 IKEE CCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1c(OC)ccc2ccccc12 526811467 LRIRWOGVHRKYSB-QFEZKATASA-N 436.968 5.830 30 10 IKEE CCCOc1cc(/C=N\n2c(CC)nnc2SCc2cc(C)ccc2C)ccc1OC 526819250 PSXPKPXUASETRB-MYYYXRDXSA-N 438.597 5.429 30 10 IKEE CCCCCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccc(C#N)cc2)cc1 526822805 OBUXLTSUZFDLOB-ONUIUJJFSA-N 433.581 5.456 30 10 IKEE Cc1ccc(/N=C\C2=C3NC4=C(/C=N\c5ccc(C)cc5)CCC[C@@]4(C#N)C=C3CCC2)cc1 606631261 KBBVYRQYYZVFGL-VZMXUXRSSA-N 446.598 7.324 30 10 IKEE CCCCCCC[C@@](C)(CN)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 698234653 VOKRYENRKMSZOD-NRFANRHFSA-N 427.427 6.269 30 10 IKEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@](C)(C#N)c1cc(Br)ccc1F 698830107 SQFSAFIPXUMIHE-OAHLLOKOSA-N 425.220 5.126 30 10 IKEE Cc1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2cccc(O)c2Cl)cc1C 735664303 CNLWEFVJPYYVAF-UHFFFAOYSA-O 436.944 5.145 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2cc(F)ccc2Br)c1 829353841 IOVWUZLPBHARPG-GOSISDBHSA-N 435.293 5.603 30 10 IKEE CCC(=NNc1nc(SCC(=O)Nc2ccc(C(C)(C)C)cc2)n[nH]1)c1ccccc1 1084122642 SSPFECIVPFIBEQ-UHFFFAOYSA-N 436.585 5.059 30 10 IKEE CC1=NN(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)C1=NNc1ccc(Cl)cc1 1084425661 HTHQYWOBBOMIDG-UHFFFAOYSA-N 430.320 5.308 30 10 IKEE Cc1ccc(NN=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1Cl 1084646934 JFMMGRRFXDDDKI-UHFFFAOYSA-N 426.816 5.703 30 10 IKEE N#Cc1cccc(-c2csc(NC(=O)c3ccc(-c4cccc(Cl)c4)nc3O)n2)c1 1266466981 AJXAWEHHYFIIBI-UHFFFAOYSA-N 432.892 5.355 30 10 IKEE C[C@]12CC[C@@H]3[C@H](CCC4=C/C(=N/Nc5cccc(Cl)c5Cl)CC[C@]43C)[C@H]1CCC2=O 1614360627 HESAJDXBMHQLJH-YJSVTICCSA-N 445.434 7.293 30 10 IKEE COc1cccc(/C=C2/SC(=Nc3nccs3)N(C3CCCCC3)C2=O)c1OC 1772737014 VXWRNWUHEPXQBE-FGQBOHQFSA-N 429.567 5.097 30 10 IKEE CCCCCCCCNC(=O)CCCOc1ccc(C(C)(C)C)cc1Br 1859454588 ZHTAEJGKDGUXJN-UHFFFAOYSA-N 426.439 6.382 30 10 IKEE CC(C)c1ccccc1NC(=O)CSc1nc(O)c(C#N)c(-c2cccc(Cl)c2)n1 1860463469 BGEQUXQFVPCWTI-UHFFFAOYSA-N 438.940 5.228 30 10 IKEE Cc1ccc2nc(-c3ccc(NC(=O)C(=O)/C=C/c4ccc5c(c4)OCO5)cc3)sc2c1 1860730432 NJJOVRZGHDMOPK-XCVCLJGOSA-N 442.496 5.221 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2Cl)=C(O)C(=O)N1C[C@H]1CCCO1 1862380038 RMUCHWKZXPUBTH-QRWLVFNGSA-N 446.330 5.059 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc(F)c1)c1ccc(Cl)cc1Cl 1862383323 UDNWKRQOGYJUQF-LJQANCHMSA-N 446.261 5.504 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2cccc(C)c2)cc1 1862389235 AZRNSYKFJHPXRV-XMMPIXPASA-N 435.564 5.341 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc(O)cc2)cc1 1862390492 FIZBECKCPSPZFK-UODBTFMRSA-N 447.575 5.892 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccc(OCCC)cc2)cc1 1862398836 XACYNZXJYFTUIO-DEOSSOPVSA-N 435.564 5.805 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1[C@@H](C)c1ccccc1 1862443976 VCLQPINQWXOASR-GAJHUEQPSA-N 431.919 5.988 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc2cc[nH]c2c1)c1cccc(Cl)c1 1862446267 NZDWUSKBHHSTBB-QFIPXVFZSA-N 434.923 5.732 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccc(F)cc2)cc1 1862474403 MWZLPTUXNKOOSC-QHCPKHFHSA-N 433.454 5.094 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862476749 DTLOMPKSJJIXBO-VWLOTQADSA-N 442.559 6.168 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc(Cl)c1 1862477064 RYCYYBBSISBELR-QFIPXVFZSA-N 441.955 5.434 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2c(Cl)cccc2Cl)cc1 1862481303 BLOYXRILBNRARZ-HXUWFJFHSA-N 448.346 5.305 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc(Cl)cc2)c1 1862491481 UTGLRZBCDNOHRU-ODOSVJCGSA-N 437.967 6.114 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2ccc(CC)cc2)cc1 1862529036 BFEUEOBAFSUQLC-AREMUKBSSA-N 439.555 5.898 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862534807 VEVZDYPMZXFUJI-VWLOTQADSA-N 436.511 5.509 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 1862664246 XPTORYJAQAHUEU-XMMPIXPASA-N 429.516 5.744 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccccc1Cl)c1ccc(F)cc1 1862675667 QPPTYXSZFCNQIG-QFIPXVFZSA-N 435.882 5.300 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(CC)cc1 1862687248 IOUYEXWRLCVVQM-DHLKQENFSA-N 449.591 6.195 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(Cl)cc3)[C@@H]2c2ccccc2)c1 1862698993 PRPLQHLQALZVML-HSZRJFAPSA-N 447.918 5.170 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CC)cc1 1862718839 GVVJYMYLJRURHK-VWLOTQADSA-N 443.543 6.007 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C(=O)N1[C@@H]1CCCC[C@@H]1C 1862746422 GALJPKZITWZJST-SAWYMBPVSA-N 434.492 5.060 30 10 IKEE Cc1cc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(F)cc3)C2=O)ccc1C(C)C 1862770932 NVQJLOPUVKABCS-UHFFFAOYSA-N 439.490 5.526 30 10 IKEE COc1ccccc1C1=C(Nc2ccc(C(C)C)cc2)C(=O)N(c2cccc(C#N)c2)C1=O 1863060215 MIBDBFDUABZUFS-UHFFFAOYSA-N 437.499 5.087 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Br)c(C)c2C)=C(c2cc(C)ccc2C)C1=O 1863407493 PSYDAVTUYMBNET-UHFFFAOYSA-N 439.353 5.061 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(CC)cc2)=C(c2cccs2)C1=O 1863471338 NWQCTLVRQKWEMN-UHFFFAOYSA-N 438.637 6.643 30 10 IKEE CCCCCCCCCCNC1=C(c2cc(OC)ccc2OC)C(=O)N(CCCC)C1=O 1863714966 XLTSGUOSOKHCNV-UHFFFAOYSA-N 444.616 5.314 30 10 IKEE CCC[C@H](NC(=O)[C@H](c1ccc(Cl)cc1)C1CCCC1)C(=O)Nc1cccc(C#N)c1 1867005502 LYXBEFCSRYSIGN-GOTSBHOMSA-N 437.971 5.409 30 10 IKEE C=CCN(CC=C)c1cc(N2CCN(c3ccccc3)CC2)nc(-c2ccccc2Cl)n1 1867978462 ASFYPBCAABDANT-UHFFFAOYSA-N 445.998 5.302 30 10 IKEE C=CCN(CC=C)c1cc(N2C[C@H](C)Cc3cc(OC)ccc32)nc(-c2ccc(C)cc2)n1 1869167640 ZCDNHWSFZQIHFL-OAQYLSRUSA-N 440.591 5.969 30 10 IKEE C=CCN(CC=C)c1cc(N2C[C@H](C)N(c3ccccc3)[C@H](C)C2)nc(-c2ccccc2)n1 1869203581 KWCCNARMQDDOAN-ZRZAMGCNSA-N 439.607 5.426 30 10 IKEE CCCCCCOc1ccc(-n2nnc(C#N)c2NC(=O)/C=C/c2ccccc2Cl)cc1 1870141084 YPRWQEXPNCMBJQ-XNTDXEJSSA-N 449.942 5.403 30 10 IKEE C=CCn1cc(OCCCCOc2ccccc2C)c(=O)cc1CSc1ccccc1 1870225164 XTDPWIGPAYXGEZ-UHFFFAOYSA-N 435.589 5.873 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(C(C)C)cc2)c(=O)cc1CSC(C)C 1870272486 PGCMECARDDKSFE-UHFFFAOYSA-N 443.697 7.553 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)c(Cl)c2)c(=O)cc1CN1C[C@@H](C)C[C@@H](C)C1 1870404529 MDEVUBSJLWTSSJ-CALCHBBNSA-N 435.395 5.398 30 10 IKEE CCCCCCCOc1cn(Cc2cccc(C)c2)c(CNc2cccc(C)c2)cc1=O 1870836094 OLUDRKADBHOZGP-UHFFFAOYSA-N 432.608 6.475 30 10 IKEE C=CCn1cc(OCCCOc2ccc(Cl)cc2)c(=O)cc1CNc1cccc(F)c1 1871219193 ZODQFTWJRDOOCU-UHFFFAOYSA-N 442.918 5.287 30 10 IKEE Cc1ccc(Cn2cc(OCc3ccc(C#N)cc3)c(=O)cc2CNc2ccccc2)cc1 1871255440 XEZYBAYPXXQLPH-UHFFFAOYSA-N 435.527 5.268 30 10 IKEE CCCCCCCCN=c1nc2c(cnn2C)c(Nc2ccc(N(CC)CC)cc2C)[nH]1 1871295138 HLOPDNVJWSKWTF-UHFFFAOYSA-N 437.636 5.456 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(C3CCCCCCC3)C4)C2=O)cc1 1871355570 NIKSFQHTPYDPGC-MYYYXRDXSA-N 447.575 6.275 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccccc4[N+](=O)[O-])c3C)C2=O)cc1 1871369740 WAFFTJBIZIUWNC-HMAPJEAMSA-N 445.427 5.137 30 10 IKEE Cc1cc(OC(=O)Cc2ccccc2[N+](=O)[O-])cc2c1C(=O)/C(=C/c1cccc(Cl)c1)O2 1871374262 AQNVFZIFJHPVSO-NHDPSOOVSA-N 449.846 5.321 30 10 IKEE CCCOc1ccccc1/C=C/C(=O)Oc1ccc2c(c1)O/C(=C\c1sccc1C)C2=O 1871376226 ZZCQLGGHWYSXMN-DXWSVEMRSA-N 446.524 6.080 30 10 IKEE CCn1cc(/C=C2\Oc3c(CN4CCC[C@@H](C)C4)c(O)cc(C)c3C2=O)c2ccccc21 1871396557 MIWXNANZMJOLEB-ZKDCOOFMSA-N 430.548 5.523 30 10 IKEE COc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(C)c1)C2=O 1871410668 ABMQWAKUBCEQQQ-SNNLMFDCSA-N 429.472 5.026 30 10 IKEE COc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccccc1C)C2=O 1871412524 USNLIBBLMTWLBS-XHFXOGKZSA-N 443.499 5.334 30 10 IKEE Cc1c(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2)ccc2c1O/C(=C\c1ccncc1)C2=O 1871414879 RCPZCHAUCMBFTK-MNAFEPAFSA-N 434.879 5.066 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1C 1871459685 XQPJEXPSIHBXIG-FMCGGJTJSA-N 447.918 5.899 30 10 IKEE C=C(C)CN([C@@H](CC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1871996075 QDQHEJPTPWJARO-QHCPKHFHSA-N 442.625 5.213 30 10 IKEE CCOc1cc(-c2nc3ccc(C(=O)Nc4ccc(C#N)cc4)cc3[nH]2)ccc1OC(C)C 1872735074 DIVKEWOTRAAION-UHFFFAOYSA-N 440.503 5.540 30 10 IKEE C[C@@H](Oc1ccc(Cl)cc1)C(=O)[C@H](C#N)c1nc(-c2cccc3ccccc23)cs1 1872775719 YHACMHRGSWQQSE-VFNWGFHPSA-N 432.932 6.260 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(C)cc3)n2)c(OCC)c1 1872783726 GNHWPHYSCRJSME-BGVYSJOJSA-N 432.545 5.806 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)c2ccc(F)c(F)c2F)n1 1872784951 AYMCFSQYMXDLSD-MRXNPFEDSA-N 428.479 6.323 30 10 IKEE CCCCCCCCCCNC1=C(c2cccnc2)C(=O)N(Cc2ccc(F)cc2)C1=O 1873077414 YSOKILDRWQONAS-UHFFFAOYSA-N 437.559 5.231 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(CCCC)cc2)cc2c(N(CC)CCCC)ncnc21 1873654787 VXKSPEVQRTWTBI-UHFFFAOYSA-N 433.600 5.839 30 10 IKEE CCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccccc1F 1874192768 MDBDKAJHRNKQQB-AFUMVMLFSA-N 446.979 5.693 30 10 IKEE CCOc1ccccc1OCc1nnc(SCC)n1/N=C/c1cccc2ccccc12 1874240959 IDEBAPVHQRBGHL-PCLIKHOPSA-N 432.549 5.403 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1c[nH]c2ccccc12 1874257830 ALGZHOVLLRNJMH-JFLMPSFJSA-N 445.592 5.841 30 10 IKEE COc1ccc(/C=N/n2c(Cc3ccc(Cl)cc3)nnc2SCc2ccccc2)cc1 1874342248 GVCGQXDXOHPBOK-WGOQTCKBSA-N 448.979 5.705 30 10 IKEE COc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2cccc(F)c2)cc1 1874350816 FWMHLAGOYMKMKI-OVVQPSECSA-N 446.551 5.234 30 10 IKEE Clc1ccc(CSc2nnc(COCc3ccccc3)n2/N=C/c2ccncc2)cc1 1874354461 KPEDRWHGRRXPAF-VULFUBBASA-N 449.967 5.218 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2/N=C/c2cccnc2)c1 1874356971 JTQVKNCJHGLQKM-JVWAILMASA-N 427.577 5.364 30 10 IKEE CCSc1nnc(CCc2ccccc2C)n1/N=C/c1cccc(Br)c1 1874362917 DMUOFINDYBBWMA-HYARGMPZSA-N 429.387 5.128 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3F)n2/N=C/c2ccccc2F)c1 1874376404 UWHZPQUULBSWSP-RWPZCVJISA-N 448.542 5.938 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(F)cc3)n2/N=C/c2ccccc2O)cc1 1874379486 VENMTGOPMYOZTN-CVKSISIWSA-N 432.524 5.197 30 10 IKEE FC(F)(F)c1ccc(/C=N/n2c(SCCc3ccccc3)nnc2[C@H]2CCCO2)cc1 1874445652 HTASTNYCMDTSPU-UAHQCSBISA-N 446.498 5.365 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2[C@H]2CCCO2)cc1 1874451867 SIZMMKOHXNLNRG-QVHMZZSFSA-N 430.936 5.405 30 10 IKEE COc1cc(/C=N/n2c(SCc3ccccc3)nnc2C2CCCC2)cc(Cl)c1O 1874454321 BPNJOXHUUNGOTI-ZMOGYAJESA-N 442.972 5.478 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C(F)(F)F)cc1 1874461925 IROHAOYDNWYPHP-MZJWZYIUSA-N 440.494 6.187 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1cccc(OCC)c1 1874479014 DIQVQYMNKNJHAH-OVVQPSECSA-N 444.604 6.347 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2C(C)(C)C)cc1 1874482342 AWECSILSULOHAN-WGOQTCKBSA-N 439.604 5.735 30 10 IKEE FC(F)(F)c1ccc(/C=N/n2c(SCCc3ccccc3)nnc2C2CCC2)cc1 1874495890 KLMANVLVIUUUPR-CVKSISIWSA-N 430.499 5.781 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(COC)nnc2SCc2ccccc2F)cc1 1874501522 LQVUXBGWUJZDES-MFKUBSTISA-N 442.560 5.307 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C(C)C)cc1 1874514159 KRIAUOZBOPUPGE-ZVHZXABRSA-N 428.989 6.018 30 10 IKEE CCCOc1ccc(/C=N/n2c(CC)nnc2SCCc2ccccc2)cc1OCC 1874525907 AHYIOQCOLSLPDH-XIEYBQDHSA-N 438.597 5.245 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2)cc1C 1874574320 HKSNIUUQBWESHW-JXMROGBWSA-N 449.934 5.879 30 10 IKEE CCc1ccc(NC(=O)COc2c(/C=C/C(=O)c3ccc(OC)cc3)cccc2OC)cc1 1874575880 LMEITMZGCUMQOT-SFQUDFHCSA-N 445.515 5.180 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccccc2OCc2ccc(Cl)cc2Cl)c1 1874580984 QETHPQDFRJARFM-DHZHZOJOSA-N 443.326 6.486 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccccc2OCC(=O)Nc2c(C)cccc2C)c1C 1874587018 QKAMJYZDTZSNRX-CCEZHUSRSA-N 441.571 6.451 30 10 IKEE CCOC(=O)c1ccc(COc2cc(/C=C/C(=O)c3cccc(Cl)c3)ccc2OC)o1 1874595698 ZMGLHMBEJAFWPU-JXMROGBWSA-N 440.879 5.593 30 10 IKEE O=C(/C=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)c1ccc2ccccc2c1 1874602333 GUTNKBORAFWBGC-XNTDXEJSSA-N 433.334 7.622 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(OC)c1OCc1cccc(F)c1 1874623831 XQNQYBATWVSZBY-BUHFOSPRSA-N 442.486 6.471 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(OC)c1OCc1cccc(C)c1 1874627154 GINBLXODEMKNOY-FMIVXFBMSA-N 434.482 6.485 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OCc3ccccc3)c(Br)c2)c(C)c1 1874634020 HTQLIISLAPYAFQ-PKNBQFBNSA-N 435.361 6.849 30 10 IKEE Cc1cccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)c2)c1C 1874705951 IPVGPDIORJZHLK-SFQUDFHCSA-N 442.555 6.481 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1OC(=O)[C@@H](C)c1ccccc1 1874710859 LEIAMWZEPVDFGG-RPAADVPWSA-N 444.527 5.926 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4ccccc4c3)cc2Cl)c1 1875096297 HOJMMACXAOECKV-UKTHLTGXSA-N 442.898 6.617 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)c3ccccc3)c([N+](=O)[O-])c2)cc1 1875100555 GXJNPHUVLJFZON-OTMARIDSSA-N 429.472 5.762 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(OCC)c3)cc2)cc1 1875106865 OGXLKBZMGBQKMJ-XMHGGMMESA-N 428.528 6.543 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(Cl)c1OC(=O)C1CCCC1 1875112546 CTDGAEBQABBRFL-MDWZMJQESA-N 428.912 5.739 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2Cl)cc1C 1875125971 KDRDLKOOCXYOCC-VZUCSPMQSA-N 439.338 6.654 30 10 IKEE CC(C)(C)CC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1Br 1875126100 PUOWTEFTCOSRTR-ONNFQVAWSA-N 435.745 6.340 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1[N+](=O)[O-] 1875127295 XUUARENYAWRLLU-FYWRMAATSA-N 445.471 5.564 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OC)cc3)c(OC)c2)cc1 1875138843 GTRWPFNQOWXRAE-PJQLUOCWSA-N 446.499 5.608 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)[C@H](C)c2ccccc2)c([N+](=O)[O-])c1 1875143134 KRDGQGZLZNNUCD-NCUBBLFSSA-N 445.471 5.517 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(Cl)c(OC(=O)CCCSC)c(OC)c1 1875143902 WUPWPHFBOHNCHT-CMDGGOBGSA-N 448.968 5.610 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)c1ccccc1F 1875148030 XZMKGQNCZHUFGW-JXMROGBWSA-N 448.446 5.111 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)C3CCC3)c(OCC)c2)c1 1875172509 YEFXTXSPVNGSEQ-JLHYYAGUSA-N 438.520 5.484 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3-c3ccccc3)cc2)c(C)c1 1875182557 JLXJVDBHSLXKPC-OBGWFSINSA-N 446.546 7.394 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2cccc(F)c2)c(Cl)c1 1875193234 YHOOVNKYCKMOPB-VMPITWQZSA-N 445.273 6.256 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cc(F)cc(C(F)(F)F)c3)ccc21 1890534523 VVFZEDSQBOXWPW-UHFFFAOYSA-N 436.405 5.034 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cccc4c3-c3ccccc3C4)cc21 1891231434 QSRTWKPDXDPXSA-UHFFFAOYSA-N 438.527 5.448 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1ccc(NC(=O)OC(C)(C)C)cc1Cl 1899822898 YVIABZQMWKJXQH-QFIPXVFZSA-N 430.976 6.111 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@]1(CC)CCCN(C(=O)OC(C)(C)C)C1 1922068884 MBQNTIGUEQOOEW-ZEQKJWHPSA-N 430.633 5.555 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC1(NC(=O)OC(C)(C)C)CCSCC1)NCCC 1922092549 TYBJTJLOEODJDS-QFIPXVFZSA-N 448.673 5.308 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C 1922121592 YPTFHQASQLBANC-MHHVOYGZSA-N 430.633 5.409 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)C1(C)C 1988069752 ASMMVOLUMHDTMZ-JOCHJYFZSA-N 435.952 5.373 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@H]1N(C(=O)OC(C)(C)C)CCC12CCCC2 2009265294 KHAHLCGVAXEXCI-DHIUTWEWSA-N 428.617 5.307 30 10 IKEE CC1(C)CC=C(C(=O)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)CC1 2010778970 LFMMPDTXNFRKBV-SANMLTNESA-N 427.585 5.536 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 2022132636 DASMTYNXPPYSEU-DVECYGJZSA-N 429.561 5.276 30 10 IKEE CSc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)s1 2032267454 ZFLGLTSFPVPQTJ-AWEZNQCLSA-N 439.400 6.239 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)C3(CC3)C2)c1 2037539912 GPVXACBAARVQFF-VWLOTQADSA-N 441.572 5.562 30 10 IKEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2045241167 PZZTVLFTGJRYDR-KBMIEXCESA-N 449.636 5.876 30 10 IKEE Cc1ccc([C@H](C2CCC2)n2nc(C3(C)CC3)c(C=NO)c2Br)c(F)c1F 2079936201 ZVIGDXXTHWLHAA-KRWDZBQOSA-N 438.316 5.481 30 10 IKEE CC[C@H](c1ccc(C(C)C)cc1)n1nc(C(F)F)c(C#N)c1I 2079998463 RGWWBQXCXJPBMH-CQSZACIVSA-N 429.252 5.420 30 10 IKEE Cc1sc([C@H](C#N)C(=O)CSc2ccc(Br)cc2)nc1-c1ccccc1 2084270737 FRYHNTPBYZAYCU-QGZVFWFLSA-N 443.391 5.850 30 10 IKEE N#C[C@H](C(=O)CSc1ncccn1)c1nc(-c2ccccc2)c(-c2ccccc2)s1 2084273057 XTYPGLMXOJESFG-GOSISDBHSA-N 428.542 5.236 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C#N)(Cc1cccc(Br)c1Cl)C2 2110479483 IYQWXOWYLXSGGL-GJZGRUSLSA-N 439.781 5.717 30 10 IKEE CC1CCC2(CC1)CC(C#N)(N(C(=O)OC(C)(C)C)c1ccccc1Br)C2 2156632169 VGNMHADUBVDXDC-UHFFFAOYSA-N 433.390 6.443 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1ncoc1C(F)(F)F 2167873851 WMCIEYKGZURIHN-GFCCVEGCSA-N 446.223 5.462 30 10 IKEE CC(C)(C)OC(=O)N1CCN(c2ccc(Br)cc2C#N)c2ccccc2C1 2174812055 GORJVXYMFZJBJC-UHFFFAOYSA-N 428.330 5.210 30 10 IKEE COc1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(C)c2)ccc1Br 2192139992 QFBMVWGZNBBKEY-GOSISDBHSA-N 431.330 5.773 30 10 IKEE C=CCCCCCCCC[C@@H](N)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2207431918 KIKVNBCNHMXLNC-HXUWFJFHSA-N 439.438 7.103 30 10 IKEE C=CCCC1([C@@H](NC)c2ccc(Br)cc2F)CN(C(=O)OC(C)(C)C)C1 2266306613 YWPVENODOJUMAJ-KRWDZBQOSA-N 427.358 5.052 30 10 IKEE CCN=C1SC(=Cc2cn(Cc3cccc4ccccc34)c3ccccc23)C(=O)N1CC 2293986885 BXLOKLOYZVQNIJ-UHFFFAOYSA-N 439.584 6.155 30 10 IKEE O=C1C(=Cc2c(F)cccc2Cl)Oc2cc(OS(=O)(=O)c3ccc(F)cc3)ccc21 2296871078 JWJKFFLWSJNNSQ-UHFFFAOYSA-N 448.830 5.002 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2297355436 SYYOATDWOHRCOI-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O)c1ccc(Br)cc1 2314438625 ZJFFYKDURQWVHW-UHFFFAOYSA-N 439.236 5.424 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2ccc(Cl)cc2)nnc1C1CC1 2320880659 KEUSKGDDGUUCBP-UHFFFAOYSA-N 426.973 5.772 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OCc4c(Cl)cccc4Cl)c3C)C2=O)cc1 2321779786 NMXKEGXCIZFETF-UHFFFAOYSA-N 439.338 7.059 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(S)n1N=Cc1ccc(OCc2cccc(Cl)c2)cc1 2321962144 SOQJXIHTLBFAMX-KRWDZBQOSA-N 448.979 5.833 30 10 IKEE COc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(Cc1cccc(Cl)c1)C3 2322214310 ZCFTZXPBMHFXTC-UHFFFAOYSA-N 447.918 5.625 30 10 IKEE C[C@H](NC(=O)COc1ccccc1C=CC(=O)c1ccc2ccccc2c1)c1ccccc1 2322312472 CUOGGYUIXDUWMK-NRFANRHFSA-N 435.523 5.992 30 10 IKEE Cc1cccc(NC(=O)COc2ccccc2C=CC(=O)c2ccc3c(c2)CCCC3)c1 2322328648 UKZYLORRVFIOKP-UHFFFAOYSA-N 425.528 5.787 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCc2cc(C)ccc2C)c1 2322371871 BWNVBWFYYWUGDJ-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE CCc1ccccc1NC(=O)COc1c(C=CC(=O)c2ccccc2OC)cccc1OC 2322485472 GTVGIQOJUYZGLB-UHFFFAOYSA-N 445.515 5.180 30 10 IKEE CCc1ccc(NC(=O)COc2c(C=CC(=O)c3ccccc3)cc(Cl)cc2OC)cc1 2322545735 CBXUBMUNTUQHJI-UHFFFAOYSA-N 449.934 5.825 30 10 IKEE O=c1c(Br)c(NN=C[C@H]2CC=CCC2)cnn1-c1ccc(Cl)c(Cl)c1 2322667042 GYYTZKIJBKIPOU-NSHDSACASA-N 442.144 5.056 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccccc1OCc1ccc(F)cc1 2322828265 CJLXQQUNUDFBNO-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE CCN(CC)C(=O)COc1ccc(Cl)cc1C=CC(=O)c1cc(C)cc(C)c1OC 2322856614 NKZCMEBSVQYWMS-UHFFFAOYSA-N 429.944 5.109 30 10 IKEE Cc1cc(OC(=O)C=Cc2ccc(Cl)cc2)cc2c1C(=O)C(=CC=Cc1ccccc1)O2 2323328006 PWJXNASOSCZIEH-UHFFFAOYSA-N 442.898 6.440 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc3c(c2C)OC(=Cc2sccc2C)C3=O)CC1 2323652824 GNSRSVZLPUIZEM-UHFFFAOYSA-N 438.589 6.883 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1 2324478386 NMJFAUUNZLGLIW-QGZVFWFLSA-N 445.490 5.719 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3cc(C)c(OC)cc3C)cc2)o1 2324627240 QBEJYEMNEOHJDX-UHFFFAOYSA-N 434.488 5.557 30 10 IKEE CC(C)(C)c1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3cccc4ccccc34)cs2)cc1 2324637655 ZPKYPGOTXJWGHW-DEOSSOPVSA-N 436.580 7.150 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3)cc2)c(OC)c1OC 2324718721 VJDJFMJEAOYINI-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE COc1cccc(C=C2Oc3cc(OCC(=O)Nc4cccc(Cl)c4C)ccc3C2=O)c1 2325053083 MOQVTAAEZTYFTA-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE Clc1ccccc1CSc1nnc(CCc2ccccc2)n1N=Cc1cccnc1 2325449117 ZOHXKGVGEUPZFN-UHFFFAOYSA-N 433.968 5.286 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OCCN4CCCCC4)cc(C)c3C2=O)cc1 2325701751 BJRFIISAWOOUFS-UHFFFAOYSA-N 434.580 5.322 30 10 IKEE CCOc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2)C3=O)cc1 2325705221 VZAMGKPBHIFTSP-UHFFFAOYSA-N 429.472 5.027 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3ccc(C)c(C)c3)c2)cc1C 2325714497 FRPYQHQDCQHUBG-UHFFFAOYSA-N 430.500 5.501 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1OC(=O)Cc1cc(C)ccc1C 2325746621 SCILHBGPQGDSRU-UHFFFAOYSA-N 444.483 5.085 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OC(=O)c1ccccc1[N+](=O)[O-] 2325750477 UIXDWNCWXSNAKG-UHFFFAOYSA-N 445.471 5.842 30 10 IKEE C=CCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1cccc(OCC)c1 2326608006 NTHBLIXBVWAUDH-UHFFFAOYSA-N 442.588 5.776 30 10 IKEE CCCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc([N+](=O)[O-])cc1 2328075384 CZQZMMVFGOGKCT-UHFFFAOYSA-N 429.933 5.009 30 10 IKEE C=CCSc1nnc(COc2ccc(C)cc2C)n1N=Cc1c(Cl)cccc1Cl 2328907041 DJONHKXHDLRFLA-UHFFFAOYSA-N 447.391 5.941 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccccc3F)nnc2[C@H](C)c2ccccc2)cc1 2330109155 KESYOIPTCMPRII-GOSISDBHSA-N 446.551 5.752 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Br)c(OC(=O)C(C)C)c(OC)c2)cc1 2330761852 HJJDYWTVYYEANB-UHFFFAOYSA-N 431.326 5.478 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@@H]3CCCO3)n2N=Cc2c[nH]c3ccccc23)c1 2330965695 SFOBZHDWXLBPAQ-QFIPXVFZSA-N 431.565 5.402 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2cc(C)ccc2C)nnc1[C@H]1CCCO1 2330993959 MXWLEPYIJMSJJD-HSZRJFAPSA-N 448.592 5.486 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccnc2)c(Cl)c1)c1cccc(Br)c1 2330999244 XYGZVICCVIKPSM-UHFFFAOYSA-N 442.696 5.613 30 10 IKEE Fc1ccccc1CSc1nnc(C2CCCC2)n1N=Cc1ccc(Cl)c(Cl)c1 2331071755 JIAXGYQZJJSAMD-UHFFFAOYSA-N 449.382 6.556 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)COc1ccc(C)cc1C 2331081296 YBXYESOGZLONLZ-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE Oc1cccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C(F)(F)F)c1 2331156597 HIDKDOSNZBINMO-UHFFFAOYSA-N 447.269 5.484 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OC(=O)c1ccc(F)c(F)c1 2331173942 OFLRCLSEFHIYFZ-UHFFFAOYSA-N 442.845 6.132 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2[N+](=O)[O-])c1 2331322463 AKUVHBLXPWLYNE-UHFFFAOYSA-N 443.499 5.873 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)COc1ccc(C)cc1C 2331534448 IVXNABLREKLYKE-UHFFFAOYSA-N 448.490 5.722 30 10 IKEE CCCOc1ccc(C=Nn2c(COC)nnc2SCc2cccc3ccccc23)cc1 2331594820 FBDWVAJDZMJTDR-UHFFFAOYSA-N 446.576 5.541 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1OCC 2331630318 UPGUIUFNKBFQRE-UHFFFAOYSA-N 438.564 6.483 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2OC)ccc1OC(=O)CCCSC 2331727449 UNZGUQZQCRZDSX-UHFFFAOYSA-N 444.549 5.047 30 10 IKEE CC1=C[C@@H](C(C(=O)C=Cc2ccc(O)cc2)C(=O)C=Cc2ccc(O)cc2)[C@@H](C(C)C)CC1 2333248777 XPEWDUSWUQJRDO-CRMLLVLTSA-N 444.571 6.207 30 10 IKEE Cc1cc(Br)c(C(=O)N2CC(B3OC(C)(C)C(C)(C)O3)=CCC2(C)C)s1 2362502695 HLCKEYIFAXHLIS-UHFFFAOYSA-N 440.212 5.001 30 10 IKEE CC#CCN(C[C@H](NCCC)c1cc(F)cc(Br)c1F)C(=O)OC(C)(C)C 2363129520 GJSDDQFNBNCGMT-KRWDZBQOSA-N 445.348 5.028 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1C(C)(C)C(=O)C#Cc1ccccc1Br 2363486785 HEVHZBLEYAFWFR-SFHVURJKSA-N 434.374 5.186 30 10 IKEE CN[C@@H](C#CC1(OC)CCCC1)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2363520121 VCKUFTSWXLFHHV-KRWDZBQOSA-N 437.378 5.019 30 10 IKEE CN(Cc1ccccc1)[C@@H]1CCCCN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2365126633 VOJBUCJPTCXYFM-GQRCBVMOSA-N 447.432 5.217 30 10 IKEE CO[C@H](C#C[C@@H](O)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1)C1CCCC1 2369619062 QDCXZXLBFRKHQA-RTBURBONSA-N 438.362 5.038 30 10 IKEE CCCn1cc(CN/C(=N/C(=O)c2cc(C)cc(C)c2)Nc2ccccc2CC)c(C)n1 32972979 GCCGCXMUYDPMCG-UHFFFAOYSA-N 431.584 5.179 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OCc3c(F)c(F)c(F)c(F)c3F)ccc2C1=O 33367681 HUOKAKZDEDTMSK-IUXPMGMMSA-N 432.344 5.886 30 10 IKEE Cc1c(/N=N/c2ccccc2C(F)(F)F)c(O)n([C@@H](C)c2ccccc2)c(=O)c1C#N 39870787 ORYXNBPHQJPXCC-JPFQVMLPSA-N 426.398 5.778 30 10 IKEE O=C1N/C(=N\N=C\c2ccc(-c3ccc(Cl)cc3)o2)S[C@@H]1Cc1cccc(Cl)c1 39888201 QAWBLHZSKNCKKT-QVHMZZSFSA-N 444.343 5.418 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)c4ccccc4OC)cc(C)c3C2=O)cc1 41285796 OLIIKYWGLQKRBO-UCQKPKSFSA-N 430.456 5.238 30 10 IKEE C=CCN(C(=O)CSc1nc(C)cc(C)n1)c1nc(-c2c[nH]c3ccccc23)cs1 66409968 LGKUXTOTQMQPOV-UHFFFAOYSA-N 435.578 5.010 30 10 IKEE Cc1c(C(=O)NCc2ccccc2Cl)oc2c1/C(=N\Nc1ccccc1)CC(C)(C)C2 101108800 YAVOZBVFZOHSDY-BRPDVVIDSA-N 435.955 5.960 30 10 IKEE COc1ccc(/C=C2\S/C(=N/c3ccccc3)NC2=O)cc1OCc1ccccc1F 108596736 MIYFSRPUHNPORV-HMAPJEAMSA-N 434.492 5.305 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 169925405 JKXUVAAMJMZXOI-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2cccc(OC)c2)cc1 169928963 LYYHHXWXSFZJPE-HSZRJFAPSA-N 447.462 5.016 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2ccccn2)c(C)c1 169994331 MGCNIFPUQUXSMH-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccn2)cc1Cl 169996474 NMPAXLBZUTXAJQ-HXUWFJFHSA-N 439.298 5.480 30 10 IKEE C=CCN1C(=O)C(Sc2ccc(Cl)cc2)=C(c2ccc(OCC(C)C)cc2)C1=O 170010574 OOBZIWVENDNARW-UHFFFAOYSA-N 427.953 5.433 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@H]2c2ccccc2)cc1C 170049251 JAWBQNFYRXJCDB-VWLOTQADSA-N 439.555 6.384 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2ccccc2)ccc1F 170052336 MYNUOLGSBCFSRO-QFIPXVFZSA-N 435.882 5.879 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccccc2)cc1 170052527 AXDZNOAODJXJEP-DEOSSOPVSA-N 438.483 5.350 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccc(Cl)cc1)c1cc2ccccc2o1 170058775 CGTMONFSRBTWRL-QFIPXVFZSA-N 444.874 5.260 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(F)cc2)cc1 170061728 TZMBOGMNACZSBL-XMMPIXPASA-N 441.458 5.917 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccccc2F)c1 170069888 IPXSMWYBFODBSI-DEOSSOPVSA-N 445.490 5.624 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@H]1c1c[nH]c2ccccc12 170075733 JOPPFQLJVPWIPN-AREMUKBSSA-N 436.511 5.578 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccco1 170094071 CYKLTOXNIBIUAK-OAQYLSRUSA-N 441.405 5.400 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2ccc(C)cc2C)=C(N2CCC(C)CC2)C1=O 170094576 FYAFXUHSZGHONH-UHFFFAOYSA-N 438.656 6.256 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@@H]1c1cccs1 170165523 BWPAPCXALNJNKG-IBGZPJMESA-N 433.957 5.569 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccn2)cc1C(C)(C)C 170181910 AKDVIIQWNZPFIP-QHCPKHFHSA-N 448.563 5.299 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2cccnc2)cc1C 170187970 JTJSCVDQDUJELB-XMMPIXPASA-N 442.515 5.107 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2cccnc2)c1 170190139 DQQVYEMDGDNUCW-DEOSSOPVSA-N 436.467 5.032 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(OCC)cc1 170213683 DCJQBZFHYMVBKB-FQEVSTJZSA-N 448.346 5.771 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccccc2)c1 170223802 BCJPVQJTPRBUPQ-VWLOTQADSA-N 441.527 5.874 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cc(OC)ccc3Cl)=C(O)C(=O)N2C2CCCC2)cc1 170268651 BKIDURXUSATTDP-QFIPXVFZSA-N 439.939 5.432 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)c(Cl)c2)=C(O)C(=O)N1c1ccccc1 170272167 MIEGEENIEWVVKA-NRFANRHFSA-N 438.310 6.085 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2ccco2)c1 170285747 ONIKEILCKIWHRP-HSZRJFAPSA-N 429.472 5.004 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)[C@H]2c2ccco2)c1 170285764 OSJGTGJBDLYIKT-JOCHJYFZSA-N 447.874 6.079 30 10 IKEE COc1ccc(N=C2S/C(=C\c3ccc(OCc4ccc(F)cc4)cc3)C(=O)N2C)cc1 252630665 VCUUGNMDCWTESF-YOIRLTMBSA-N 448.519 5.647 30 10 IKEE N#Cc1cccc(N=c2oc3ccc(Br)cc3cc2-c2nc3ccccc3[nH]2)c1 252668883 FVNUFSFLIJWVGT-UHFFFAOYSA-N 441.288 5.843 30 10 IKEE COc1cc(/C=C2/SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc([N+](=O)[O-])c1O 254522024 CECVDZCKHKDGTD-ZOAXWHFDSA-N 447.472 5.118 30 10 IKEE O=[N+]([O-])c1ccc(-c2ccc(-c3csc(NN=Cc4c[nH]c5ccccc45)n3)o2)cc1 254625076 SUSZJPCJGWGUBV-UHFFFAOYSA-N 429.461 5.906 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2sccc2C)c1 526487244 VVUQWXRRZILPMQ-JOCHJYFZSA-N 430.529 5.774 30 10 IKEE Cc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(Br)cc2)cc1 526607991 BNXGHFAJADXEBV-QFIPXVFZSA-N 445.316 5.686 30 10 IKEE Cc1cccc(CSc2nnc(C)n2/N=C\c2ccc(OCc3ccccc3)cc2)c1 526808040 NBFOZJHXQVAXBZ-QQXSKIMKSA-N 428.561 5.648 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1ccc(Br)cc1 526809094 GOTDCNSSDCLVKF-QRVIBDJDSA-N 443.414 5.784 30 10 IKEE Clc1ccccc1CSc1nnc(CCc2ccccc2)n1/N=C\c1ccncc1 526817028 NAUPJZSIRTWNQS-QQXSKIMKSA-N 433.968 5.286 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccccc1OCC 526818150 SSRQQVWIHLTNLJ-CFRMEGHHSA-N 432.952 5.596 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1c(Cl)cccc1Cl 526819075 NZXVYJSBAOTXDH-MXAYSNPKSA-N 447.435 6.719 30 10 IKEE N#Cc1ccccc1NC(=O)c1cccc(NC(=O)N(Cc2ccccc2)c2ccccc2)c1 586674076 PQCRLYJTVKYKNY-UHFFFAOYSA-N 446.510 6.049 30 10 IKEE CC[C@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 616582025 IWNCBADONFSAAW-LTSMMKNASA-N 428.701 7.204 30 10 IKEE biogenic C[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 698346726 BLYAVJIXHRRBLA-UUOWRZLLSA-N 429.561 5.105 30 10 IKEE Cc1cc(C)c([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)cc1C 698443408 JCNYVJAMWGMZBZ-FQEVSTJZSA-N 429.358 6.381 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@](C)(C#N)Cc1ccccc1F 698460798 WQABRGPRFMPQAG-NRFANRHFSA-N 433.321 5.855 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2cc(Br)ccc2F)c1 698476660 NJFDYDRULNBFGI-GOSISDBHSA-N 435.293 5.603 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@H](C#N)c1sccc1Br 698960496 XOYNXPFCMUWCNR-CQSZACIVSA-N 427.751 6.170 30 10 IKEE CCOc1cccc(C=Nc2cc(C(F)(F)F)ccc2Oc2ccccc2Cl)c1O 1084231311 FLILYYZAMOGMED-UHFFFAOYSA-N 435.829 7.006 30 10 IKEE Oc1c(Cl)cc(Cl)cc1C=Nc1ccc2nc(SCc3ccccc3)sc2c1 1084477204 MCPYWFCFYQGROH-UHFFFAOYSA-N 445.396 7.352 30 10 IKEE Cc1cccc(N=C2S/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C(=O)N2C)n1 1772732535 YARXESBRWJQCNS-SPXSAIPKSA-N 444.343 6.191 30 10 IKEE CC(=C/c1ccccc1)/C=C1/SC(=Nc2ccncc2Cl)N(C2CCCCC2)C1=O 1772737302 OMFATYUEJIXTST-SCEJADKESA-N 437.996 6.618 30 10 IKEE Cc1c(C(=O)N(C)c2ccccc2)oc2c1C(=NNc1cccc(C(F)(F)F)c1)CCC2 1772750933 QUJTXKWGGTXSIB-UHFFFAOYSA-N 441.453 6.036 30 10 IKEE CCC(CC)N(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)c(F)c1 1859987361 GJUFXPDFAIKINA-UHFFFAOYSA-N 439.346 6.838 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 1861126627 RJBHHOSWVCLOKR-SDFCAVLBSA-N 445.604 5.540 30 10 IKEE CCCCCCCCNC(=O)c1cc(CCCC)n(Cc2ccc(Cl)c(Cl)c2)n1 1862321280 AEDVHYRWQBWYBA-UHFFFAOYSA-N 438.443 6.671 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(O)c(OC)c2)cc1 1862397774 SBNNPCHDURGZFT-DEOSSOPVSA-N 449.547 5.264 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1c(Cl)cccc1Cl 1862416179 KVDJMPZPPWHMSH-KRWDZBQOSA-N 426.246 5.258 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1cccc(Cl)c1)c1ccccc1Cl 1862433346 ZSWWQOPOFQEPLD-FQEVSTJZSA-N 439.298 5.167 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(Br)cc1 1862438276 KLWWCIBPBVBGIN-SGTLLEGYSA-N 448.744 5.479 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1cccc(Cl)c1)c1cccc(Cl)c1 1862446447 SMBXVMJWDGRWSS-LJQANCHMSA-N 444.339 5.833 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C(C)C)cc1 1862477302 KKTHHEAABCOSBY-VWLOTQADSA-N 449.591 5.904 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCc2cccs2)cc1 1862487350 YTVRIAAEUDHAOD-HSZRJFAPSA-N 431.557 5.494 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc(C(C)C)cc2)c1 1862493482 QMPRVPUVPIIBIC-HQCZVFHSSA-N 445.603 6.584 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CC)cc1OCC 1862499343 DZUSBBUCPCGGSD-QHCPKHFHSA-N 437.536 5.089 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862583358 ZGLWOYFWZMFAIC-RBZFPXEDSA-N 448.346 5.769 30 10 IKEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1c(F)cccc1Cl 1862619883 FLYPZASJNGHYBV-HXUWFJFHSA-N 445.918 5.001 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1cccc(O)c1)c1cccc2ccccc12 1862648677 IDSLGOHJSBPJLE-SANMLTNESA-N 449.506 5.366 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(F)cc1F 1862661131 PEBMHKVXMAIIQB-QFIPXVFZSA-N 427.491 5.713 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2cccc(Cl)c2)cc1 1862661792 SBJUOFCBCIIERU-QHCPKHFHSA-N 446.934 5.637 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2cccc(C)c2)cc1 1862687487 LJFONTZZXWZUJH-XMMPIXPASA-N 431.532 5.472 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(F)cc1 1862724088 IWRXVKNDKWIWSS-RUZDIDTESA-N 443.518 6.261 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(O)c(O)c1 1862726125 ZGPFDWLCBSIYSD-VOIUYBSRSA-N 443.499 5.142 30 10 IKEE N#Cc1cccc(NC2=C(c3ccccc3Cl)C(=O)N(CCC3=CCCCC3)C2=O)c1 1863447422 TUNFBBYEUYFZNG-UHFFFAOYSA-N 431.923 5.294 30 10 IKEE CCCCCCCCNC1=C(c2ccc(C)cc2)C(=O)N(Cc2cccc(Cl)c2)C1=O 1863623204 RTUNEGHGHISWDZ-UHFFFAOYSA-N 438.999 5.879 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCOC(C)C)=C(c2ccccc2Cl)C1=O 1863777305 AFJGYMIPQPRXJL-UHFFFAOYSA-N 449.035 5.575 30 10 IKEE CCCCCCCCN1C(=O)C(NCCc2ccc(F)cc2)=C(c2cccs2)C1=O 1863805393 VWXBFXDIPGMRGN-UHFFFAOYSA-N 428.573 5.160 30 10 IKEE CC(C)[C@H]1c2[nH]cnc2CCN1c1cc(Nc2cccc(C#N)c2)nc(Cc2ccccc2)n1 1868201428 ZBNCLAAOGDDMAF-MHZLTWQESA-N 449.562 5.166 30 10 IKEE CCCCc1ccc(-n2nnc(C#N)c2NC(=O)[C@H](Cc2ccccc2)c2ccccc2)cc1 1870147775 HCMLBEYILHSQKW-RUZDIDTESA-N 449.558 5.447 30 10 IKEE C=CCOc1cn(CCc2ccc(C)cc2)c(CNc2ccc(N(CC)CC)cc2)cc1=O 1870809708 RFXYTXQZUTVOCU-UHFFFAOYSA-N 445.607 5.423 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc4c3CN(CCc3c[nH]c5ccccc35)CO4)C2=O)c1 1871344666 BNKDODDRVPKJLX-WGARJPEWSA-N 436.511 5.487 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)/C=C/c4cccs4)c3C)C2=O)cc1OC 1871381517 YQFJBOUPTWGRGU-XNHXLOTDSA-N 448.496 5.309 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(ccc(O)c3CN3C[C@@H](C)C[C@@H](C)C3)C2=O)cc1 1871396698 RJAXDGXUPWLWCK-ZOLBUAMYSA-N 434.580 5.333 30 10 IKEE CCCOc1ccc2c(c1C)O/C(=C\c1cc(Br)cc3c1OCOC3)C2=O 1871397942 ADBFXVPHTYIUSO-NVMNQCDNSA-N 431.282 5.029 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2cccs2)C3=O)cc1Cl 1871401597 HXDBVHLFIYZOJU-HKMXWPIPSA-N 439.920 5.732 30 10 IKEE CCOc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871406091 HBXVBSYCSWADFO-SGMWPGOQSA-N 447.462 5.247 30 10 IKEE CCc1ccc(OCCCOc2ccc3c(c2C)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871412807 FLSZSEYVCXGCNN-UQQQWYQISA-N 448.946 6.675 30 10 IKEE COc1ccc(OCCCOc2cc(C)c3c(c2)O/C(=C\c2sccc2C)C3=O)cc1 1871415672 NZEGYWWJDNBGIZ-JCMHNJIXSA-N 436.529 5.838 30 10 IKEE CCCC[C@@H](Oc1ccc2c(c1C)O/C(=C\c1ccc(N(CC)CC)cc1)C2=O)C(=O)O 1871422793 DGLVHSQGRAABQR-LEYFIJQKSA-N 437.536 5.480 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(CC)cc1)[C@@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872105798 FPEDILLMRPAKCQ-MBSDFSHPSA-N 446.588 5.008 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(-c2ccccc2C)cc1)C(C)C)S(=O)(=O)CCC 1872203761 QOFVDRFCLRWPRA-XMMPIXPASA-N 442.625 5.243 30 10 IKEE N#C[C@@H](C(=O)c1ccc(-n2cccc2)cc1)c1nc(-c2cccc(Br)c2)cs1 1872763072 DDPKUVJTZJEHFW-IBGZPJMESA-N 448.345 5.853 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(Cl)cc3Cl)n2)cc1C 1872764915 AZKJTVIYQSAFFL-BBOMDTFKSA-N 443.355 6.324 30 10 IKEE COc1ccc(OC)c(/C=C/C(=O)[C@H](C#N)c2nc(-c3cccc4ccccc34)cs2)c1 1872775284 MUWLHEKNALCMJL-YUAYGMJFSA-N 440.524 5.870 30 10 IKEE N#C[C@H](C(=O)CCCOc1ccccc1Cl)c1nc(-c2cccc3ccccc23)cs1 1872775568 UHCQZNMQOKOMOI-HXUWFJFHSA-N 446.959 6.652 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C)c2C)cc2c(NCCCCN(CC)CC)ncnc21 1873630067 IBSCZXSWTHZZTL-UHFFFAOYSA-N 448.615 5.020 30 10 IKEE CCCCCCCCNC(=O)c1cn(-c2cc(OC)ccc2OC)c(=O)c2ccccc12 1873886048 DYGXZSNALAUIEK-UHFFFAOYSA-N 436.552 5.098 30 10 IKEE CCCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1cccc2ccccc12 1874271044 BDMNIVJTMQFIBL-TURZUDJPSA-N 436.584 6.560 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1cccc(OC)c1 1874283079 OCCQTSWGVYPXFN-ZVHZXABRSA-N 426.973 5.276 30 10 IKEE CCCCOc1ccc(/C=N/n2c(Cc3ccc(OCC)cc3)nnc2SCC)cc1 1874302829 SPDTZAQICHMILF-XIEYBQDHSA-N 438.597 5.441 30 10 IKEE Cc1cccc(OCc2nnc(SCc3ccccc3F)n2/N=C/c2cccnc2)c1C 1874323512 SRFFAJYUNCMGLE-MZJWZYIUSA-N 447.539 5.183 30 10 IKEE CCSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874358191 TYHOKFNHJGBDJP-MFKUBSTISA-N 438.597 5.276 30 10 IKEE CCCSc1nnc(CCc2cccs2)n1/N=C/c1ccc(N(CC)CC)cc1 1874372016 DEYAMULHYHHIIA-HAVVHWLPSA-N 427.643 5.355 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2c(F)cccc2Cl)nnc1-c1cccs1 1874425148 TUNGOJALXOFHOF-WYMPLXKRSA-N 442.972 6.282 30 10 IKEE Clc1ccc(CSc2nnc(C3CC3)n2/N=C/c2ccc(Br)cc2)cc1 1874520813 OPLPOCNBNRTHCC-SSDVNMTOSA-N 447.789 5.746 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1 1874573893 KMJUQHNDBKDZGU-RVDMUPIBSA-N 439.382 7.811 30 10 IKEE C=CCOc1ccc2ccccc2c1/C=C/C(=O)c1ccc(OCCC)c(OCCC)c1 1874576335 IIDAEVBVEGULFH-BUHFOSPRSA-N 430.544 6.878 30 10 IKEE O=C(/C=C/c1ccccc1OCc1cccc2ccccc12)c1ccc(Cl)c(Cl)c1 1874579087 VXZJJRGPGOONKQ-FYWRMAATSA-N 433.334 7.622 30 10 IKEE CCc1ccccc1NC(=O)COc1ccccc1/C=C/C(=O)c1cc(C)ccc1OC 1874581509 RALCHCKHXRSACV-CCEZHUSRSA-N 429.516 5.480 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2c(OCc3ccccc3F)ccc3ccccc23)cc1 1874582149 YQWYVALTMJSKPB-ISLYRVAYSA-N 438.542 7.752 30 10 IKEE CCc1ccc(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc(OC)c(F)c2)cc1 1874582627 YBLGXGPSGRCBEC-GXDHUFHOSA-N 433.479 5.310 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(F)cc2)c1OCc1ccc(Cl)cc1Cl 1874584304 HNXNKTXOXRGHBL-XYOKQWHBSA-N 431.290 6.616 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1OCc1ccccc1C 1874592854 FUHXAGITOKFEJX-LDADJPATSA-N 434.535 7.146 30 10 IKEE O=C(/C=C/c1cccc(OCc2c(Cl)cccc2Cl)c1)c1ccc([N+](=O)[O-])cc1 1874594494 NFCPZNIBPFPSEA-KPKJPENVSA-N 428.271 6.377 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)c1OCC(=O)OCC(C)C 1874618234 QCNZQGYBMIHMGY-MDZDMXLPSA-N 444.955 5.830 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OCC(=O)NCc1ccco1 1874623186 PMIRWMPCCNTVSO-ACCUITESSA-N 441.483 5.033 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(OC)c1OCc1ccccc1C 1874625081 KXJOYDSQASIBSC-SFQUDFHCSA-N 440.583 7.331 30 10 IKEE COc1cccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc4nc(C)c(C)nc4c3)c2)c1 1874695366 XGWYZHJDRBEBTD-JLHYYAGUSA-N 438.483 5.371 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(OC)cc3)c2)cc1 1874701902 NGRFLAPUZHPRRZ-PJQLUOCWSA-N 446.499 5.608 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cccc(OC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)c2)c1 1874703454 QLMASDQCGKDLLH-ZBFVSKLGSA-N 430.931 6.562 30 10 IKEE COc1ccccc1OCC(=O)Oc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC 1874703534 UPJFJURLFJQNGA-ACCUITESSA-N 446.499 5.201 30 10 IKEE O=C(COc1cc(F)ccc1F)Oc1cccc(/C=C/C(=O)c2ccc(F)c(F)c2)c1 1874710834 KQEIANKHVWBNKS-RUDMXATFSA-N 430.353 5.124 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3sccc3C)c2)c2ccccc12 1874718886 PAWYBUDKBGDKHB-ZRDIBKRKSA-N 428.509 6.334 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)c3ccccc3)c([N+](=O)[O-])c2)c1 1875102118 MORURVMOSPFRSQ-MLFXKNMZSA-N 431.444 5.209 30 10 IKEE CCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1Br 1875104563 DAZXABOQIAXROK-XVNBXDOJSA-N 428.109 5.967 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@H]2CCCO2)c(Br)c1)c1ccccc1Cl 1875113345 FIKKGLRYQLBTMF-QRBZPYHOSA-N 435.701 5.083 30 10 IKEE O=C(Cc1ccc(F)cc1F)Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1Cl 1875113637 QSUKNLWWTBPOND-WEVVVXLNSA-N 447.264 6.316 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)cc2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 1875116684 NDUFEPQEBKEDEI-QQDOKKFESA-N 425.799 5.503 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)c1 1875138208 QGUNDTPLNIMCPB-JXMROGBWSA-N 446.415 5.235 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)c1ccc(F)cc1 1875141269 WBTUSKITAGVDOM-XCVCLJGOSA-N 442.845 6.051 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@@H]2CCCO2)c(Cl)c1)c1ccc(Oc2ccccc2)cc1 1875165712 VGZAXLDEMNIWFO-RARRKCLYSA-N 448.902 6.113 30 10 IKEE COc1cc(C(=O)/C=C/c2ccc(OC(=O)c3ccco3)c(OC)c2)c(OC)cc1Cl 1875173510 NYTJARIVPCNKRV-SOFGYWHQSA-N 442.851 5.074 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)c1cnccn1 1875185809 PYLOKZQRVWCXBS-JXMROGBWSA-N 430.504 5.206 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc(Br)c1OC(C)=O 1875190104 CTVVAIJSPBAOCG-ZZXKWVIFSA-N 444.108 5.586 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c4ccccc34)cc2)c1 1875190199 IRCSETCHVREGOK-FOWTUZBSSA-N 438.479 5.972 30 10 IKEE C#CC(C)(C)C[C@@H](NC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875652155 UMQDVZYPEOVWNG-NAKRPHOHSA-N 443.587 5.516 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(F)cc1Br 1898088944 QZCHIVCCYOCNEO-ROUUACIJSA-N 429.374 5.488 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C=CC(=O)c2c(F)cc(Br)cc2F)cc1 1912033154 SRYVFRZVXCFBDU-UHFFFAOYSA-N 438.268 5.970 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCC12CN(C(=O)OC(C)(C)C)C2 1918323542 VXCYGSPFBJYKOZ-VWLOTQADSA-N 441.572 5.420 30 10 IKEE CC(C)(C)OC(=O)N(CCCC(=O)Nc1cc(C#N)ccc1Cl)Cc1ccccc1 1985172619 JTAQQSINYJORKB-UHFFFAOYSA-N 427.932 5.368 30 10 IKEE N#C[C@H](NCC(F)(F)F)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2016685668 JNJQIJAMNMIFJQ-NRFANRHFSA-N 426.438 5.561 30 10 IKEE CC[C@@](C)(CN(Cc1ccccc1)C(=O)OC(C)(C)C)Oc1c(N)ccc(F)c1C#N 2021713711 PZZVGCPIIKAVOU-DEOSSOPVSA-N 427.520 5.264 30 10 IKEE CCCCCC#CC[C@H](NCC)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2024370301 NQXMNHKDPDWAKG-YFNKSVMNSA-N 430.633 5.437 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)CC12CC2 2037543788 YZVMQDCLMJLHSP-DEOSSOPVSA-N 445.535 5.393 30 10 IKEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2045241168 PZZTVLFTGJRYDR-UQBPGWFLSA-N 449.636 5.876 30 10 IKEE Cc1c(Cl)cc(C[C@@]2(C#N)CCCCN2C(=O)OC(C)(C)C)cc1Br 2048641082 UNOIUDUPKBTJMY-LJQANCHMSA-N 427.770 5.637 30 10 IKEE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)c2ccc(C#N)c3ccccc23)C1 2055661332 VDDDYVAJPSMYDW-UHFFFAOYSA-N 429.520 5.269 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Br)c1Cl)NCCC 2063089565 BNDUDLSGRLUGAI-JKSUJKDBSA-N 431.802 5.093 30 10 IKEE O=C(C1=CCCCC1)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071356786 QIWUGDABALCJQX-MUUNZHRXSA-N 428.528 5.948 30 10 IKEE C=C(C)CC[C@H](NC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071359787 WRMRBEOBSHFDNZ-LBNVMWSVSA-N 431.576 5.822 30 10 IKEE COc1ccc([C@@H](n2nc(C(C)(C)C)c(C#N)c2I)C2(C)CC2)cc1 2079876947 QKDYFHNRDLITMG-QGZVFWFLSA-N 449.336 5.055 30 10 IKEE N#Cc1cnc2c(-c3cccc(Br)c3F)c(C3CCCCC3)nn2c1Cl 2081421617 NKAJGFAUDHPUKO-UHFFFAOYSA-N 433.712 5.871 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(Cl)ccc(Br)c1F 2122139564 SZILBWSSHJYERS-YOEHRIQHSA-N 449.792 5.752 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@H]1Nc1cc(Br)cc(C#N)c1 2162332750 AIIPQOLXJNKJHK-QAPCUYQASA-N 434.378 5.206 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CCC2)C[C@@H]1CNc1cc(Br)c(C#N)cc1F 2162340905 CSHFXFNVHNJLFN-CQSZACIVSA-N 438.341 5.051 30 10 IKEE C=CCC1(Nc2cc(Br)cc(F)c2C#N)CCN(C(=O)OC(C)(C)C)CC1 2163689079 AOLGITKCNDMGNC-UHFFFAOYSA-N 438.341 5.218 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(C)c(Br)c(C)c1 2227359905 NCXLMDYHVZOLGH-HKUYNNGSSA-N 425.411 5.576 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@@H](C#N)c1c(F)ccc(Br)c1F 2231228583 PDUQPIJFFUVLEB-LBPRGKRZSA-N 430.253 5.229 30 10 IKEE C=CCCCCCC[C@H](O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237397854 HTGFMYMRNCHISO-UXHICEINSA-N 440.422 5.772 30 10 IKEE CCCCCCCC[C@H](N)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237399310 QVXBBIHDKDEKPN-PMACEKPBSA-N 441.454 5.963 30 10 IKEE C=CCC1(Oc2ccc([N+](=O)[O-])c(Br)c2)CCN(C(=O)OC(C)(C)C)CC1 2237706595 AFOOLKLDQVWFFF-UHFFFAOYSA-N 441.322 5.082 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCC[C@@H](C(C)(C)C)C1 2238180194 OQGBQZOUSDSJQJ-ZHRRBRCNSA-N 435.406 6.689 30 10 IKEE C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2255542783 XNOPYFUCPIRDGL-KRWDZBQOSA-N 439.792 5.080 30 10 IKEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cccc(Cl)c1Br 2259400238 FTNVCAYEDLETJD-NVXWUHKLSA-N 429.786 5.060 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cccc(Cl)c1Br 2259408590 QVZLBXNNJSJILF-WBVHZDCISA-N 429.786 5.060 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2sc(Cl)cc2Br)c1 2259918664 AMUAKTLHOPPZFP-CQSZACIVSA-N 441.778 6.479 30 10 IKEE C=CC[C@@]1(COc2ncc(Cl)cc2Br)CCCN(C(=O)OC(C)(C)C)C1 2272227078 AXJXMHAQPMSQJK-LJQANCHMSA-N 445.785 5.470 30 10 IKEE CN[C@@H](C#CC1CCCCC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2273905403 JGUXQSHNBKYUEX-NDEPHWFRSA-N 439.599 6.689 30 10 IKEE CCCCCCC[C@H](OCC(=O)O)c1scc(Br)c1Br 2291946217 HOPXOXAVFDJHID-NSHDSACASA-N 428.186 5.776 30 10 IKEE C=CCc1cc(C=C2SC(=Nc3ccccc3)N(C3CCCCC3)C2=O)cc(OC)c1O 2293430073 JACQLCOQEXLMCM-UHFFFAOYSA-N 448.588 6.066 30 10 IKEE CC(C)(C)OC(=O)NC1(CC[C@H](N)C#Cc2cccc(Br)c2)CCCCC1 2296218909 JILGJDKFODOYMS-LJQANCHMSA-N 435.406 5.136 30 10 IKEE N[C@@H](C#Cc1cccc(Br)c1)c1c(Cl)cc(Br)cc1Cl 2296230948 YOTMKJZJYMBLMP-AWEZNQCLSA-N 433.958 5.570 30 10 IKEE CCOc1cccc(C=C2SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)c1O 2296826784 RFVVUCLNNPKHOI-UHFFFAOYSA-N 444.556 6.216 30 10 IKEE CCn1cc(C=C2Oc3cc(OC(=O)c4ccco4)ccc3C2=O)c2cc(OC)ccc21 2296872196 ZKVXYXAKWUZXCJ-UHFFFAOYSA-N 429.428 5.098 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)s2)ccc1OCC(=O)Nc1ccc(C)cc1 2297115624 XLIAOARFORVNGW-UHFFFAOYSA-N 441.936 5.632 30 10 IKEE C=CCN1C(=O)C(=C2SC(=Nc3ccccc3)N(c3ccccc3)C2=O)c2ccccc21 2297313313 BXXRDAYKUQBRGG-UHFFFAOYSA-N 437.524 5.398 30 10 IKEE C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC(=Cc1ccc(C(F)(F)F)cc1)C2=O 2297733546 UELTYJDTQILMTO-RGAJKIOOSA-N 446.553 6.671 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@H](C#N)[C@]12C[C@H](CCN1C(=O)OC(C)(C)C)C2 2306790834 WDSFVOCDOGBDAM-WVMBUTMQSA-N 433.593 5.238 30 10 IKEE O=C1C(=Cc2ccc(F)cc2)SC(=NN=CC=Cc2ccccc2)N1Cc1ccco1 2314840925 IZTCHOWDWBLWMD-UHFFFAOYSA-N 431.492 5.590 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(SCc2cc(C)ccc2C)nnc1C1CC1 2320858237 GBGCMDKSXFUZJH-UHFFFAOYSA-N 442.588 6.109 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc4c3CN(Cc3ccccc3Cl)CO4)C2=O)cc1 2321958398 MLRYHIXMYLCBSI-UHFFFAOYSA-N 431.919 5.871 30 10 IKEE O=C1C(=Cc2c(Cl)cccc2Cl)Oc2c1ccc1c2CN(Cc2ccccc2)CO1 2321978752 PKUKFSUEQWCQNU-UHFFFAOYSA-N 438.310 5.962 30 10 IKEE C[C@@H](c1ccccc1)N1COc2ccc3c(c2C1)OC(=Cc1ccc(C(C)(C)C)cc1)C3=O 2322092470 RTGPPOZLOOKWBX-IBGZPJMESA-N 439.555 6.513 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc3c2CN(CCc2ccc(C)cc2)CO3)C1=O 2322218134 WQEFCEIJOAQQQR-UHFFFAOYSA-N 441.527 5.405 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccccc2Cl)cc1OC 2322350300 XROWIKNMVAEEBQ-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Br)ccc2OCCc2ccccc2)c1 2322371423 NHTRLLDPUUMLIM-UHFFFAOYSA-N 437.333 5.975 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Cl)ccc2OCc2cccc3ccccc23)c1 2322371940 CJTMPSCIABIIKY-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE Cc1ccc(C)c(CN2COc3c(cc4c(c3C)OC(=Cc3cccc(Cl)c3)C4=O)C2)c1 2322413082 VOEKDHHFTHOACO-UHFFFAOYSA-N 445.946 6.234 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccccc2C=CC(=O)c2ccc(C(C)(C)C)cc2)c1 2322681168 LAZLQOJAMKTJCV-UHFFFAOYSA-N 441.571 6.515 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12 2323022513 OSKJNKOHPHLTPH-UHFFFAOYSA-N 446.905 7.116 30 10 IKEE CCCOc1c(Br)cc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1OC 2323529724 VPJZXWZWVORCKN-UHFFFAOYSA-N 444.152 6.449 30 10 IKEE COc1cc(C=C2Oc3cc(OCCCc4ccccc4)ccc3C2=O)cc(OC)c1OC 2324266126 XFIBAVHUQVMKSU-UHFFFAOYSA-N 446.499 5.340 30 10 IKEE CCCCOC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc(Cl)cc1Cl)C2=O 2324297929 RKASOZSPZLUDAW-UHFFFAOYSA-N 435.303 5.640 30 10 IKEE Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(C)o2)C3=O)c(C)c1 2324331742 SQRBIYGYPUANOJ-GOSISDBHSA-N 431.488 5.535 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)ccc1OCc1cccc(C)c1 2324585014 LKYJHLGHHNOACQ-UHFFFAOYSA-N 442.599 7.475 30 10 IKEE Cc1ccc(OCCCCOc2cc(C)c3c(c2)OC(=Cc2cccc(C)c2)C3=O)cc1 2324588851 KBTWNUKFZLOOQM-UHFFFAOYSA-N 428.528 6.466 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2ccc(OCc3cccc(F)c3)cc2)cc1Cl 2324588981 KKYVWHCLRDSZDU-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE CCc1ccc(OCCCOc2cc(C)c3c(c2)OC(=Cc2ccccc2OC)C3=O)cc1 2324662220 CYCRHSULOXLBBA-UHFFFAOYSA-N 444.527 6.030 30 10 IKEE CCOc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc1OC 2324787842 KMGRYNKNIDHQBI-HXUWFJFHSA-N 446.572 6.032 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1cccs1)C2=O)Nc1ccc2ccccc2c1 2324954841 HKQFBSDVXJUKLY-UHFFFAOYSA-N 427.481 5.535 30 10 IKEE CCn1cc(C=C2Oc3cc(OCc4cccc5ccccc45)ccc3C2=O)c2ccccc21 2325272511 JUULRJBXSWEPSV-UHFFFAOYSA-N 445.518 7.010 30 10 IKEE Cc1cc(OCCC(=O)Nc2ccccc2)cc2c1C(=O)C(=Cc1cccc(Cl)c1)O2 2325480055 NTGLCLAAHTVLSU-UHFFFAOYSA-N 433.891 5.672 30 10 IKEE CCOc1cc(C=Nn2c(CC)nnc2SCc2cccc3ccccc23)ccc1O 2325603930 VUYDGJDELUKIPP-UHFFFAOYSA-N 432.549 5.273 30 10 IKEE O=C(CC1CCCCC1)Oc1cccc(C=CC(=O)c2ccc(Br)cc2)c1 2325716324 YVWKCMRPOUSNKC-UHFFFAOYSA-N 427.338 6.221 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4cc(Cl)ccc4Cl)ccc3C2=O)o1 2325724570 VMIAQAHLOJVYKJ-UHFFFAOYSA-N 444.270 5.529 30 10 IKEE CCCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccco1 2325812675 VMJPCYYBAKCZQA-UHFFFAOYSA-N 432.977 5.537 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1N=Cc1ccco1 2325847139 JVXTWXRQPOVWFO-UHFFFAOYSA-N 438.597 5.731 30 10 IKEE CCOc1cccc(C=Nn2c(Cc3ccc(Br)cc3)nnc2SCC)c1 2325941863 SQQPIPHLQOUJJT-UHFFFAOYSA-N 445.386 5.024 30 10 IKEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)C[C@H]2CCCC[C@H]2N(C(=O)OC(C)(C)C)C1 2326071666 DXNMBJUXJBBVNC-XLGIIRLISA-N 442.600 5.088 30 10 IKEE CCOc1cc(C=Nn2c(C)nnc2SCc2cc(C)cc(C)c2)cc(Cl)c1O 2326398969 TYAFRPVMGJNJSP-UHFFFAOYSA-N 430.961 5.136 30 10 IKEE Clc1cccc(CSc2nncn2N=Cc2ccccc2OCc2ccccc2)c1 2326466162 KSTBPYHELLFCPG-UHFFFAOYSA-N 434.952 5.685 30 10 IKEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccccc1C(F)(F)F 2326489317 FVUVCOGRUHAQPS-UHFFFAOYSA-N 445.297 6.087 30 10 IKEE C=C(C)CSc1nnc(COc2cc(F)ccc2F)n1N=Cc1cccc(Cl)c1 2327460020 DSFLIOWLVVCMLR-UHFFFAOYSA-N 434.899 5.339 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3Cl)n2N=Cc2ccc[nH]2)c1 2327931668 SACNFSFIVVYVCG-UHFFFAOYSA-N 435.984 5.528 30 10 IKEE CCCCC1CCC(c2nnc(SCc3cccc(C)c3)n2N=Cc2ccncc2)CC1 2328131353 JPUNFIVVLBCAJJ-UHFFFAOYSA-N 447.652 6.620 30 10 IKEE CCCSc1nnc(COc2ccccc2OC)n1N=Cc1ccc(C(C)(C)C)cc1 2328299426 RJAPOPVFCGFOHB-UHFFFAOYSA-N 438.597 5.548 30 10 IKEE C=CCSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1c(Cl)cccc1Cl 2329438994 WSHDYKVALHEWRR-UHFFFAOYSA-N 431.392 5.953 30 10 IKEE COc1ccccc1C=Nn1c(COc2ccccc2)nnc1SCc1ccccc1C 2329883807 BGZMQHUVBVYPRL-UHFFFAOYSA-N 444.560 5.349 30 10 IKEE O=C(CSc1nnc(-c2ccccc2)n1N=Cc1ccc(Cl)cc1)Nc1ccccc1 2330627965 UVXJTPLCQWPEQF-UHFFFAOYSA-N 447.951 5.212 30 10 IKEE Clc1ccccc1CSc1nnc(-c2ccccc2)n1N=Cc1c[nH]c2ccccc12 2330675012 NVRLVLIGXVQECL-UHFFFAOYSA-N 443.963 6.254 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1 2330740718 LGDZOVGLNJZZOF-UHFFFAOYSA-N 425.311 6.671 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cc(C)ccc3C)c(Cl)c2)cc1 2330961074 IABNUAKFAQOTSL-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)c(F)c3)c([N+](=O)[O-])c2)c(C)c1 2331225267 GVCLCQOMRMOBKW-UHFFFAOYSA-N 437.398 5.605 30 10 IKEE COCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(Cl)cc1 2331299372 ZIFWYDQMIMOUIY-UHFFFAOYSA-N 436.968 5.448 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1 2331313526 QEDSMHWXAFNSIX-UHFFFAOYSA-N 430.500 5.583 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)c1ccc(N(C)C)cc1 2331330921 NDYGVDYKVQSODZ-UHFFFAOYSA-N 429.516 5.493 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC(=O)C1CCC1 2331429757 ZLSYGNNVUAGLCN-UHFFFAOYSA-N 432.560 6.323 30 10 IKEE Fc1cccc(Cl)c1C=Nn1c(SCc2ccc(Cl)cc2)nnc1C1CCC1 2331539291 JRMHLZLDSXBWPP-UHFFFAOYSA-N 435.355 6.166 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OCC 2331711693 VYWCTKLRYVJNJP-UHFFFAOYSA-N 436.592 7.254 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(Cl)c2)ccc1OC(=O)c1cccnc1 2331834617 IZRUHBOFNZGRFN-UHFFFAOYSA-N 437.879 5.258 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)CCc2ccccc2C)cc1 2331875057 BZHHNPFKPXMLCD-UHFFFAOYSA-N 434.919 6.091 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2ccc(C#N)c(Br)c2F)C[C@H]2CCC[C@@H]21 2360232467 QHRKHTMPXNQUMW-INWMFGNUSA-N 438.341 5.050 30 10 IKEE C=CCC(CC=C)[C@@H](NC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2364013409 QLXZONOQLFPIEG-VQTJNVASSA-N 437.422 5.241 30 10 IKEE Cc1cc(C)nc(N/C(=N/C(=O)Nc2ccc(Cl)cc2)NCc2ccc(Cl)cc2)n1 14156773 JBDOCHQKPMUQHX-UHFFFAOYSA-N 443.338 5.190 30 10 IKEE O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@@H](c1ccccc1Cl)n1c(nc3ccccc31)N2 19639357 BWXHKNBEDGYJPW-IVCQMTBJSA-N 443.909 6.245 30 10 IKEE CC(C)Oc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccnc2)cc1 20885038 BFJHTKQSUAGPAC-NFQMXDRXSA-N 425.532 5.848 30 10 IKEE COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)c1O 21241065 ACCLRLGSCRSXBQ-PUAOIOHZSA-N 446.934 6.034 30 10 IKEE C=CCn1c(SCc2cn3ccccc3n2)nc2cc(-c3ccccc3)sc2c1=O 31741540 JXDPVJYFBGTOKP-UHFFFAOYSA-N 430.558 5.251 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)C)cc2)c1 33416475 HJQNPXVSZLULOL-QHCPKHFHSA-N 431.488 5.190 30 10 IKEE C/C(=N/OCc1cccc(C)c1)c1cc(-c2ccc(F)cc2)n(-c2cccc(C)c2)c1C 35843460 OMHJHUJPRHIDOT-OFWBYEQRSA-N 426.535 7.149 30 10 IKEE CCOC(=O)Cc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2N2C[C@@]3(C)C[C@@H]2CC3(C)C)cc1 59488568 PRFDXCCEZWDLIP-BBRAHFHCSA-N 449.551 5.466 30 10 IKEE CCCCCCCOc1ccc(NCC(=O)Nc2cccc(NC(=O)C(C)C)c2)cc1 100077645 GRTQZZQATHZMRX-UHFFFAOYSA-N 425.573 5.681 30 10 IKEE Cc1ccc(/N=C2C(=C/Nc3ccc(C)cc3)/CCc3c/2c(C)nn3-c2ccccn2)cc1 103664942 PUPPBZVRWXBMAI-QPFQSPONSA-N 433.559 6.256 30 10 IKEE O=C(C/C(=C/C(=C1/Cc2ccccc2C1=O)c1ccccc1)c1ccccc1)c1ccccc1 108649302 MUCYMSYQFRLMSG-GBKNVWIQSA-N 440.542 7.236 30 10 IKEE CCCCOc1ccc(/C=N\n2c(C)nnc2SCc2ccc(Cl)cc2Cl)cc1 138199019 DYNAVVMOLLRETF-CFRMEGHHSA-N 449.407 6.247 30 10 IKEE Cc1ccc(Cc2c(C(=O)Nc3scc(C(C)(C)C)c3C#N)sc3ccccc23)cc1 169873145 DMTODZJNQUSECN-UHFFFAOYSA-N 444.625 7.284 30 10 IKEE COc1ccc(N/N=C/c2cc(Br)c(OC)c(Br)c2)cc1Cl 169877332 AMZBDKADBYOACV-UFWORHAWSA-N 448.542 5.328 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2ccncc2)c1 170019379 FEIZAFFERGUIRG-JOCHJYFZSA-N 432.907 5.443 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@@H]2c2ccc(F)cc2)cc1 170061791 XDCBYUOAHBGLHF-XMMPIXPASA-N 445.490 5.570 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@@H]1c1ccc(OC)cc1 170116762 KPMKAIWCCFWOMW-QHCPKHFHSA-N 437.536 5.171 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(N(C)C)cc1 170129597 ZDUMCNXMHVKYGU-OAQYLSRUSA-N 426.944 5.175 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@H]1c1cccc(C)c1 170146655 UZDALMBDEXMIDT-HSZRJFAPSA-N 435.564 5.680 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 170149824 NJEOORJCZVJTBI-NRFANRHFSA-N 425.956 6.016 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2cccs2)c1 170156183 ASAHXHYFRPMKTB-DEOSSOPVSA-N 439.536 6.301 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)c(OC)cc3C)[C@H]2c2cccs2)cc1 170157129 DNGVASIJSTXIJI-HSZRJFAPSA-N 447.556 5.719 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(OCC)c(C)c3)=C(O)C(=O)N2C2CCCC2)c1 170218816 OQZNIXVQLDDIDW-DEOSSOPVSA-N 449.547 5.313 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccccc2)cc1 170224247 ULCQGHHDUQZTLG-RUZDIDTESA-N 441.527 5.819 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccccc2)c1C 170225845 SYXNQASGCWZIOX-SANMLTNESA-N 433.507 6.240 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(Cl)cc1 170236755 IDMHKKXKDGJKHR-JOCHJYFZSA-N 441.955 5.896 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@H]1c1ccc(Cl)cc1 170236823 HZQWIMGFWXCAKE-OAQYLSRUSA-N 425.912 5.043 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(Cl)cc1 170236956 TYCMXVILLFYGEA-NRFANRHFSA-N 439.939 5.486 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1C 170239649 GREXIIYRSQEMJN-XMMPIXPASA-N 445.490 5.706 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccc2F)c(C)c1 170247745 WLBNIZJVUJLBFP-JOCHJYFZSA-N 435.426 5.065 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1c[nH]c2ccccc12 170255427 JWQXJLVQMSURRC-XMMPIXPASA-N 446.547 5.642 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1c1ccccc1C 170273031 KZBZEIDAELXDEP-RUZDIDTESA-N 441.527 5.874 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccco2)ccc1Cl 170282529 XNESUCRPRMZIIR-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)(C)C)c2)[C@H]1c1ccco1 170294737 FCAUNUXFPWSFKR-JOCHJYFZSA-N 439.552 5.744 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(C)o1 170308390 QTVSJSMKOYMWDO-HXUWFJFHSA-N 443.927 5.469 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Br)c2)[C@H]1c1cccs1)c1ccccc1 170349141 AVASQIKJSYTBKX-SFHVURJKSA-N 440.318 5.294 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NC)c1ccc(Br)c(Cl)c1F 407173657 ACUOONYISSLDKB-CZUORRHYSA-N 435.765 5.362 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1/N=C\c1cccc(OCC)c1OC 526803744 KZSMRSBCPMLSMY-MYYYXRDXSA-N 442.560 5.342 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@@H](NC(=O)c3ccc(Cl)cc3)C2)c1 586004351 HOROOSKWHCWSMI-JOCHJYFZSA-N 439.987 5.212 30 10 IKEE C=C(C)CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 586229124 LOYCWXZHPSQNBW-UHFFFAOYSA-N 439.533 5.268 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H](CNC(=O)OC(C)(C)C)C(C)C)cc1 698955240 FFUZGJONHSNXNE-VQTJNVASSA-N 431.577 5.426 30 10 IKEE CCCCCCCCC[C@@H](NC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 705479613 JIGNDAYTOYMXFD-QPTUXGOLSA-N 434.665 6.214 30 10 IKEE CCOc1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccccc2CC)cc1 917612302 OSUNUDAMWALPGP-UHFFFAOYSA-O 430.553 5.130 30 10 IKEE C=CCCC1(CNC(=O)[C@@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)CCCC1 1528534996 SNAKVKRGJCXVTJ-MRXNPFEDSA-N 433.643 5.278 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=Nc2ccccn2)N1c1ccccc1 1772731025 HABIZVFLVFAIQA-JLFKZYKSSA-N 426.328 6.197 30 10 IKEE CCN1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=Nc1nc(-c2ccccc2)cs1 1772737090 LVYNAAQSNLNGQC-LUCDKTHESA-N 430.558 5.915 30 10 IKEE CCCCCCCCCCCC/C=C\[C@@H]1OC(C)(C)O[C@H]1[C@H](O)[C@H]1COC(C)(C)O1 1848436304 DLMNRRXIJRNPTJ-UXJHIRGRSA-N 426.638 5.886 30 10 IKEE CCCCCCCCCOc1cccnc1NC(=O)/C=C/c1ccc(Cl)cc1Cl 1858749901 ATENYBQLQAUZOE-WYMLVPIESA-N 435.395 7.170 30 10 IKEE N#Cc1c(NC(=O)CCCOc2ccc(Cl)cc2Br)sc2c1CCC2 1859480003 KFDSONDVRNLCFM-UHFFFAOYSA-N 439.762 5.322 30 10 IKEE COc1ccc2c(=O)c(-c3ccccc3)c(C(=O)Nc3oc4c(c3C#N)CCCC4)oc2c1 1859763076 GWYBVFXGZWOGHD-UHFFFAOYSA-N 440.455 5.064 30 10 IKEE C=CCN(C(=O)/C=C/c1ccc(OCc2ccccc2)cc1)C1CCC(C(C)(C)C)CC1 1860017630 MPDFPDVTBZOWRM-DEDYPNTBSA-N 431.620 6.898 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc(C(F)(F)F)cc1 1860730074 XTDAZLVPEIHSNV-NTEUORMPSA-N 425.406 5.505 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)/C=C/c1ccc2c(c1)OCCO2 1861567705 DIKKMZISKFGJAK-FPBAGDOUSA-N 444.616 5.013 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](CC)NC(=O)c1ccc2[nH]c(-c3ccc(C(C)C)cc3)nc2c1 1862095352 BMSCNEZGVKWBBK-JOCHJYFZSA-N 444.579 5.062 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(N(C)C)cc1 1862381333 XOSRJYCWFGNXBL-ZUOKHONESA-N 447.362 5.436 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(C)cc2)cc1 1862389607 JMBJCCBXASIOBJ-VWLOTQADSA-N 448.607 5.258 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2ccc(O)c(OCC)c2)cc1 1862396189 BXIDTPDUDXNHNE-QHCPKHFHSA-N 437.536 5.122 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 1862397099 JJCQZZLHJBCJDH-OAQYLSRUSA-N 443.465 5.812 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccccc1F 1862411962 SOHWPOSBLIFYJN-JOCHJYFZSA-N 445.481 6.043 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(F)cc1 1862430508 LYCPVGXIBWVZNF-IVZQSRNASA-N 435.882 5.819 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(C(C)(C)C)cc1 1862494211 IDZBXYXTLKNOHD-VWLOTQADSA-N 447.619 6.760 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(C(F)(F)F)cc1 1862508253 FURKHRIGKDKCLD-HXUWFJFHSA-N 449.444 5.921 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@@H]2c2ccc(F)cc2)cc1 1862529540 HNWFIPDESVWEAH-RUZDIDTESA-N 443.518 5.518 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(C)c1 1862581004 XFCIDLNYYUJYGO-FQEVSTJZSA-N 448.346 5.307 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccccc1Br 1862624283 JDSMQVZDLNFQPR-LJQANCHMSA-N 442.353 5.345 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccccc2F)cc1F 1862639309 VQHIHICELHWXLA-BPSNYSSFSA-N 441.474 5.130 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 1862668661 DTIZOTGIHZOSNL-OAQYLSRUSA-N 445.481 6.207 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C23CC4CC(CC(C4)C2)C3)c1 1862674203 LOXGEGPGAHQOJW-RZNVFEIWSA-N 445.534 5.681 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CC(C)C)cc1OC 1862716578 JEEAEWVCTQPYDE-DEOSSOPVSA-N 445.515 5.091 30 10 IKEE CCCCCCCCCCNC1=C(c2cc(C)ccc2C)C(=O)N(CCCOCC)C1=O 1863740664 HDRJPGHYEPEONI-UHFFFAOYSA-N 442.644 5.540 30 10 IKEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CCC)[C@H]1c1sccc1C 1864497623 BYXRYGCNRFBXJP-LJQANCHMSA-N 444.645 5.143 30 10 IKEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CCC)[C@@H]1c1ccccc1C 1864997863 JIXRLSKZNNYXSB-QFIPXVFZSA-N 438.616 5.081 30 10 IKEE CC(C)(C)c1nc(Nc2ccccc2C#N)cc(N2CCO[C@@H](c3cccc(Cl)c3)C2)n1 1868351550 YJRSRYYRAGSLLP-OAQYLSRUSA-N 447.970 5.621 30 10 IKEE CCCc1nc(Nc2ccc(C#N)cc2)cc(N2C[C@H](c3ccccc3)Cc3ccccc32)n1 1868400687 AGRQOQVWOZJAQW-XMMPIXPASA-N 445.570 6.522 30 10 IKEE Cc1ccc2nc(-c3ccc(-n4nnc(C#N)c4NC(=O)c4cccs4)cc3)sc2c1 1870149501 VQANCIQPTQDMNA-UHFFFAOYSA-N 442.529 5.038 30 10 IKEE CCCCCCCOc1cn(CCCn2ccnc2)c(CSc2ccccn2)cc1=O 1870259958 RCJUYMGAAORXQH-UHFFFAOYSA-N 440.613 5.172 30 10 IKEE C=CCn1cc(OCc2ccccc2)c(=O)cc1CNc1ccc(OCCCCCC)cc1 1870894790 NVRPHQJTSXAJJX-UHFFFAOYSA-N 446.591 6.185 30 10 IKEE CCCCCCCCn1cc(OCC(=O)NCCC)c(=O)cc1CNc1cccc(C)c1 1871134990 PUKQUNBYUXYLOO-UHFFFAOYSA-N 441.616 5.034 30 10 IKEE C=CCn1cc(OCCOc2ccc(C)cc2)c(=O)cc1CNc1ccc(C(C)C)cc1 1871213203 QQCBGKBOCRIFRZ-UHFFFAOYSA-N 432.564 5.536 30 10 IKEE CCCCCCCCCCN=c1[nH]c(Nc2ccc(OC)c(Cl)c2)ncc1[N+](=O)[O-] 1871308394 FZYZGWGMQIBSES-UHFFFAOYSA-N 435.956 5.765 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OC(=O)/C=C/c3ccc(Cl)cc3)c2C)C1=O 1871374740 BVYIFHVDUARWJK-DYAARSSKSA-N 430.887 6.192 30 10 IKEE Cc1cc(OC(=O)c2cc(Cl)ccc2Cl)cc2c1C(=O)/C(=C/c1ccncc1)O2 1871380816 DFFFMBSIAHKVJQ-OCKHKDLRSA-N 426.255 5.532 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc(OC(=O)/C=C/c3cccs3)c2C)C1=O 1871381345 VMCVCXINYAJNRN-OVXMHFCVSA-N 432.497 5.690 30 10 IKEE C[C@H]1CCCN(Cc2c(O)ccc3c2O/C(=C\c2cccc(Br)c2)C3=O)C1 1871396797 WAMPNXIBVDRPSQ-GNKPEBMXSA-N 428.326 5.003 30 10 IKEE CCc1cccc(CC)c1NC(=O)[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccco1)C2=O 1871409159 YQAVIKDAYPSVJL-XMSCMFJESA-N 445.515 5.735 30 10 IKEE Cc1cc(OC(c2ccccc2)c2ccccc2)cc2c1C(=O)/C(=C/c1ccccc1F)O2 1871431716 TYYJEFUAMKCWOZ-ONUIUJJFSA-N 436.482 6.919 30 10 IKEE Cc1c(OCc2ccccc2C#N)ccc2c1O/C(=C\c1c(Cl)cccc1Cl)C2=O 1871437191 LBVYSVOCZRKECG-JJFYIABZSA-N 436.294 6.369 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4c(C)cccc4C)c3C)C2=O)c1 1871440187 BLHCPJDAOYRSJC-UCQKPKSFSA-N 443.499 5.254 30 10 IKEE C=CCN([C@H](C(=O)Nc1cc(C)cc(C)c1)[C@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1871998719 VGCQSWZIZVIISH-YKSBVNFPSA-N 442.625 5.150 30 10 IKEE COc1cc(OC)cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c1 1872759540 RPJGPCXXNOOMCJ-HSZRJFAPSA-N 440.524 5.984 30 10 IKEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(OCc4ccccc4)cc3)n2)cc1 1872769962 FAFREQWAQIPSIK-DEOSSOPVSA-N 438.552 6.117 30 10 IKEE N#C[C@@H](C(=O)CCCOc1ccc2ccccc2c1)c1nc(-c2ccc(F)cc2)cs1 1872776348 NXZGWHNKCYYBOS-QFIPXVFZSA-N 430.504 6.138 30 10 IKEE COc1ccccc1CC(=O)[C@H](C#N)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872779966 VWQHXAAVQHKZLY-QFIPXVFZSA-N 440.524 6.030 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@H](C#N)C(=O)c3ccc4nc(C)c(C)nc4c3)n2)c1C 1872781876 ZKBBSMZKFKXQBJ-HXUWFJFHSA-N 440.572 6.094 30 10 IKEE COc1cc(OC)c(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(F)cc3)n2)cc1Cl 1872783348 XPALTEUOBADVEB-CDVVCGDMSA-N 442.899 5.509 30 10 IKEE C=CCc1ccccc1OCc1ccc(C(=O)Nc2cccc(C(=O)OCCCC)c2)cc1 1872859165 IJALEJMIQCSYJI-UHFFFAOYSA-N 443.543 6.203 30 10 IKEE N#Cc1nc([C@@H]2C[C@H]2c2ccccc2)oc1N/N=C/c1cccc(OC(=O)c2ccco2)c1 1873470519 KBGCGPXOSPDZFP-VJCCSRPRSA-N 438.443 5.076 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccccc1)n2Cc1ccco1 1873621025 HAXISDCJAUASFF-UHFFFAOYSA-N 445.567 6.097 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1cccc(C(C)(C)C)c1)n2CCCC 1873657076 WLRLBQNWNQCUNQ-UHFFFAOYSA-N 445.611 5.960 30 10 IKEE CCCSc1nnc(CCc2ccc(OCC)c(OC)c2)n1/N=C/c1ccccc1C 1874201966 CKEQPDLGIHEYTE-KOEQRZSOSA-N 438.597 5.163 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2/N=C/c2ccccc2)cc1 1874351144 WFEQCLVAVYZSOX-WGOQTCKBSA-N 448.979 5.705 30 10 IKEE C=CCSc1nnc(CCc2ccccc2C)n1/N=C/c1ccc(Cl)c(Cl)c1 1874362242 VNNMLMNCQVADOT-ZVHZXABRSA-N 431.392 5.839 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccccc3Cl)n2/N=C/c2cccc(C)c2)cc1 1874365027 HOOOJHPPFZACBA-CVKSISIWSA-N 432.980 6.390 30 10 IKEE C=CCSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1cccc(Br)c1 1874399925 XCXVESIOONOAHH-WXUSHSQQSA-N 427.371 5.353 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(Cc2cccs2)n1/N=C/c1ccco1 1874415094 XSFVZPIHCQYIOH-SSDVNMTOSA-N 432.933 5.490 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2ccc(C(C)(C)C)cc2)c1 1874446121 TVTQGQHCWRBYBU-JEWPKMHUSA-N 448.636 6.218 30 10 IKEE CSc1nnc(C2CCCC2)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874451488 AYGZKFIRHVMHMW-ZVHZXABRSA-N 426.973 5.772 30 10 IKEE CCOc1c(/C=N/n2c(SCc3ccccc3)nnc2-c2ccco2)cccc1OC 1874466437 JPZJAVPNVPAPLA-BUVRLJJBSA-N 434.521 5.120 30 10 IKEE Fc1ccccc1CSc1nnc(-c2ccco2)n1/N=C/c1c(F)cccc1Cl 1874467012 NVRNMEQWTZRGRY-BHGWPJFGSA-N 430.867 5.644 30 10 IKEE Cc1ccsc1/C=N/n1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccco1 1874468657 RZBPRRDRQZZCLQ-LSHDLFTRSA-N 449.388 6.389 30 10 IKEE CCCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccc(CC)cc1 1874479270 RQRUXZQASRPYHS-AFUMVMLFSA-N 447.435 6.664 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1cccc(Cl)c1 1874483017 ZSPANHURXXSFRS-WSDLNYQXSA-N 429.933 5.312 30 10 IKEE CC(C)Cc1nnc(SCCc2ccccc2)n1/N=C/c1c(Cl)cccc1Cl 1874490330 LBGPOOFKNDHJOI-ZVHZXABRSA-N 433.408 6.000 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(C3CCC3)n2/N=C/c2ccc(Cl)cc2)o1 1874492789 FEDYOGFUONNNOV-FSJBWODESA-N 444.944 5.143 30 10 IKEE COCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccc(Cl)cc1 1874502569 OPQNQFRXTUSOFF-LSFURLLWSA-N 441.771 5.559 30 10 IKEE CCCOc1cccc(/C=N/n2c(CC)nnc2SCc2cccc3ccccc23)c1 1874525874 JXBYZMVLZBAWFH-YZSQISJMSA-N 430.577 5.957 30 10 IKEE CCCCC1CCC(c2nnc(S)n2/N=C/c2ccc(OCC)c(OCC)c2)CC1 1874563826 ZXIBQVVXNNPAQZ-LFVJCYFKSA-N 430.618 5.710 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCc2c(F)cccc2Cl)cc1OC 1874572149 YETGTYYQSJTSPV-ZRDIBKRKSA-N 426.871 5.971 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2cccc(C)c2)cc1 1874572208 BDSNPCJBGXTRGX-FOCLMDBBSA-N 429.516 5.480 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Br)ccc2OCCc2ccccc2)c1 1874572438 NHTRLLDPUUMLIM-ZRDIBKRKSA-N 437.333 5.975 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)c(Cl)c1 1874610335 NAHSMGNUIXISKJ-SZEUEKNRSA-N 449.934 5.501 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OCC(=O)Nc1cc(C)cc(C)c1 1874618919 ZTQHMJPHRAYBIP-CSKARUKUSA-N 443.543 5.842 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)c1 1874619015 FOGAGXZKAHLHIO-BJMVGYQFSA-N 437.423 5.226 30 10 IKEE Cc1ccc(C)c(COc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2Br)c1 1874631583 JYXCUABMTAZNIG-DHZHZOJOSA-N 449.388 7.158 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OCC(=O)NC2CCCCC2)cc1 1874633633 NCQWGNNOECTIAY-JLHYYAGUSA-N 441.955 5.381 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(C)cc1 1874669006 UAQSPNFDOGUQCY-VWLOTQADSA-N 433.596 5.294 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cccc(OC(=O)[C@H]2C[C@H]2c2ccccc2Cl)c1 1874698859 QVMYUKUTPHYMRA-WQICJITCSA-N 432.903 5.954 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OC(=O)Cc1ccccc1Cl 1874701335 NEHYAKDXABIWDO-FMIVXFBMSA-N 434.919 6.010 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)C2(c3ccc4c(c3)OCO4)CC2)c1)c1ccc(F)cc1 1874708750 SJOFOZQDYFPIHB-ONNFQVAWSA-N 430.431 5.088 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1cccc(/C=C/C(=O)c2c(C)cc(C)cc2C)c1 1874716289 LNTQFAGPVLSPRB-OUKQBFOZSA-N 430.500 5.744 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc(Br)c1O 1874719114 CUTKDBZYMJIXGR-VQHVLOKHSA-N 433.342 5.756 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 1875103188 NPVFNCPODCGBFL-RVDMUPIBSA-N 445.471 5.671 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc4nc(C)c(C)nc4c3)cc2)c(C)c1 1875131284 PIVGRLISSHQTRN-RIYZIHGNSA-N 436.511 5.979 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)c(C)c3)c(Cl)c2)c1 1875139327 CTGITONASUPDMX-PKNBQFBNSA-N 432.947 6.618 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 1875148336 BMNKHHIWMCLERU-DJKKODMXSA-N 442.555 6.427 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2c(F)cccc2Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 1875159430 CRGBBKBDBCTISA-ONNFQVAWSA-N 443.789 5.642 30 10 IKEE CCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1OC 1875165440 YIBNQBMENUMHTJ-NTEUORMPSA-N 436.891 6.352 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OC(=O)[C@H](C)c2ccccc2)cc1 1875180759 XDFAHRWRLSDUBG-GPZRYRNASA-N 434.919 6.262 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)CCOC 1875183347 WKTUJUCDAWIROY-BQYQJAHWSA-N 430.928 5.502 30 10 IKEE CCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1Br 1875184150 KSHLXDHQEAPLNH-FMIVXFBMSA-N 443.381 6.657 30 10 IKEE C#CCCC[C@@H](NCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875649694 JTFUTVSZXHABOK-GGXMVOPNSA-N 443.587 5.660 30 10 IKEE CC1(C)OB([C@@]23C[C@H]2CCN(Cc2cc(Cl)cc(Br)c2)C3)OC1(C)C 1879796591 VSLVTWRCKOSERR-AUUYWEPGSA-N 426.591 5.161 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccccc3SC(F)F)ccc21 1889678974 ZGMMLXFHTIAOOG-UHFFFAOYSA-N 432.492 5.191 30 10 IKEE O=C(Nc1cccc(C(F)(F)F)c1F)N1CC[C@H](Cc2ccc(C(F)(F)F)cc2)C1 1891371134 ZAYUKPXNFFYLEU-CYBMUJFWSA-N 434.355 5.960 30 10 IKEE C=C(COCc1ccccc1)[C@@H](O)c1cc(Br)cc(Br)c1OC 1922062626 MSTCHPBQUUVOON-QGZVFWFLSA-N 442.147 5.027 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1929587980 VJPSJISNMGKELG-NLFFAJNJSA-N 443.588 5.543 30 10 IKEE CC(C)[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)CN1Cc1ccccc1 1942593627 MLJZASNFEWNDIH-JYFHCDHNSA-N 425.617 5.749 30 10 IKEE CCC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(OC)c1 2033622523 BWOUABBYOISHDH-YLJYHZDGSA-N 447.576 5.270 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@@]2(C#N)N(C(=O)OC(C)(C)C)C2CCCC2)C1 2038636293 CEEDPLBWTVBEKR-RPBOFIJWSA-N 447.620 5.630 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2)SC(=Nc2ccccc2)N1Cc1cccc(Cl)c1 2040469345 NPFOFZARFDOCEY-UHFFFAOYSA-N 439.367 6.798 30 10 IKEE CCN[C@H](CC#CC(C)(C)C)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2041902429 IYEFSZAQGQKWEK-KCWPFWIISA-N 442.644 5.248 30 10 IKEE Cc1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)sc1Cl 2046767556 AAYVYPKNXVMGJS-CQSZACIVSA-N 441.778 6.479 30 10 IKEE CC(C)(C)[C@@H](c1ccc(C2CCC2)cc1)n1nc(C(F)(F)F)c(C#N)c1Br 2079986468 UCEZBUUONGAZOL-QGZVFWFLSA-N 440.307 6.439 30 10 IKEE Cc1cc(O)c([C@@H](C2CCC2)n2nc(C(C)(C)C)c(C=NO)c2Br)cc1C 2080022798 PBQZMNZYKWNSCW-GOSISDBHSA-N 434.378 5.463 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(CNc3ccc(C#N)c(Br)c3F)CCC[C@@H]12 2162400974 AICQEHSHPUZVTE-QRWLVFNGSA-N 438.341 5.051 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](CNc2cc(Br)cc(F)c2C#N)CC1(C)C 2172449224 NZIPCXBRMLZGKC-CYBMUJFWSA-N 440.357 5.297 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCN[C@H](C2CCC2)C1 2194162174 YNJYOFLADNXKFQ-RXVVDRJESA-N 434.378 5.005 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Br)cc1CC 2229242844 CUEHQZCCALZXJK-MOPGFXCFSA-N 425.411 5.522 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C=C[C@H](O)C#Cc2ccccc2Br)cc1 2235741573 UVPBDFLNQOUGOV-IBGZPJMESA-N 428.326 5.222 30 10 IKEE C=C(C(=O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)c1ccccc1 2237432287 WTBCNVXRPCKAEA-LJQANCHMSA-N 430.342 5.167 30 10 IKEE Cc1cccc2c1CC[C@]2(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2240133493 PTQVWFBMJHCJEB-JOCHJYFZSA-N 427.342 5.864 30 10 IKEE CC1(C)OB(c2cc(C(=O)N(Cc3ccccc3)C3CCCC3)ccc2Cl)OC1(C)C 2255524482 RSTNUYFZMPJMEW-UHFFFAOYSA-N 439.792 5.224 30 10 IKEE N#Cc1cccc(Br)c1Nc1cc(Br)cc(Br)c1 2257487342 XWIABHYNSZJSDV-UHFFFAOYSA-N 430.925 5.589 30 10 IKEE CC1(C)OB(c2cccc(Nc3ccc(Br)c(Cl)c3Cl)n2)OC1(C)C 2266749128 PWZBWMUMRUPIIV-UHFFFAOYSA-N 443.965 5.194 30 10 IKEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)CC2CCCC2)c1 2267604168 LHIALIGTGVOVSA-UHFFFAOYSA-N 433.401 5.127 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Br)cc(C(C)(C)C)c1 2288655371 UAIHAUHZNJCPMT-OALUTQOASA-N 439.438 5.867 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1c(F)cccc1Br)NCCC 2289742209 ZGUUCAHLKDWZJZ-MOPGFXCFSA-N 443.401 5.358 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCCCN)c1cc(Br)cc(C(C)C)c1 2293322234 LSPYJRQMNHTTGE-HSZRJFAPSA-N 432.402 5.752 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(F)c([C@H](O)C#Cc2ccc(Br)cc2)c1F 2296271687 FUUYVXPPJUFXAE-MRXNPFEDSA-N 438.268 5.159 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(OC(=O)C4CCCCC4)c3C)C2=O)c2ccccc21 2296589034 WEPLECKNKAQADG-UHFFFAOYSA-N 429.516 6.072 30 10 IKEE CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2299161835 OSEOASWZYXFCBE-QZTJIDSGSA-N 433.524 5.105 30 10 IKEE Cc1ccc(COc2ccc(C=Nn3c(S)nnc3Cc3ccc(F)cc3)cc2)cc1 2321906965 PQGNCNQXSFIVPD-UHFFFAOYSA-N 432.524 5.066 30 10 IKEE CC(C)c1ccc(C=C2Oc3c(ccc4c3CN(CCCc3ccccc3)CO4)C2=O)cc1 2322214458 PYDMEKCQPVGHMV-UHFFFAOYSA-N 439.555 6.211 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccccc1OCc1nc(O)c2ccccc2n1 2322638246 YOWZVWOHASKQFU-UHFFFAOYSA-N 426.472 5.128 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O)c1cccc(Br)c1 2322930222 AZVSJXCRTVXDAC-UHFFFAOYSA-N 439.236 5.424 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCc2ccccc2Cl)c2ccccc12 2323009084 IFGRAMYXWPXEDN-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OCc1ccc(Cl)cc1Cl 2323168716 VNQVMIQTFKJLQV-UHFFFAOYSA-N 445.317 6.925 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1OCc1cc(C)ccc1C 2323302638 FESLDBVVSIZOGD-UHFFFAOYSA-N 442.599 7.393 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCc3c(Cl)cccc3Cl)c2)cc1Cl 2323310594 PDOQVBLYXRPYFZ-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE CC(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2323503091 KPWMJQCWCRYNNF-UHFFFAOYSA-N 444.914 6.698 30 10 IKEE Cc1cc(OC(=O)c2cccc(OCC(C)C)c2)cc2c1C(=O)C(=Cc1ccccc1F)O2 2323580258 QWHAJYJHQPOJAY-UHFFFAOYSA-N 446.474 6.004 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OCC(=O)Nc1ccccc1C 2323873178 WEAZJVJVIAETLJ-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE Cc1cc(OCCOc2ccccc2)cc2c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O2 2324220982 XMLHARWHCQDITP-UHFFFAOYSA-N 428.528 6.367 30 10 IKEE CCc1cccc(CC)c1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1ccco1)C2=O 2324381148 SJHJBNJYOFDSLK-MRXNPFEDSA-N 431.488 5.427 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(Cl)cc3Cl)n2)cc1C 2324406271 AZKJTVIYQSAFFL-KRWDZBQOSA-N 443.355 6.324 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OCc2cccc(Cl)c2)cc1 2324522508 BXNDDBDPBWJNIY-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE CCOc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3cc(C)ccc3OC)cs2)cc1OC 2324574130 UCTHAELEFUKBIK-LJQANCHMSA-N 448.544 5.424 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@H](C#N)C(=O)C=Cc2ccccc2Cl)n1 2324774037 NLZZKQCMWZYOCG-MRXNPFEDSA-N 443.355 6.324 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc(C)cc1)C2=O 2325005237 PLDLAUFPPKOMEG-UHFFFAOYSA-N 441.527 5.808 30 10 IKEE CCCCCCCCCCOC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1)C2=O 2325045303 RHNWFQDUCMFAMB-UHFFFAOYSA-N 436.548 6.366 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccc2c(c1)OC(=Cc1ccc(C(C)C)cc1)C2=O 2325493116 LTYOPLHGMQFRRP-UHFFFAOYSA-N 441.527 6.061 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1cccs1)C2=O)Nc1ccc(C(F)(F)F)cc1 2325536089 QZFCUMROKNWGNM-UHFFFAOYSA-N 445.418 5.401 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3cccc(OC)c3)c2)cc1 2325712849 BWFTVYLITQAEMA-UHFFFAOYSA-N 444.527 5.918 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4cc(Cl)ccc4C)cc(C)c3C2=O)cc1 2325723610 TYIQCCWRZDRGCT-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C=CC(=O)c3ccc(C)cc3C)ccc2OC)cc1 2325735219 NFDPWIUCDBIYKZ-UHFFFAOYSA-N 430.500 5.826 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1OC(=O)COc1ccccc1 2325756511 ZFEBNQVJTJTEBR-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cccc(OCC(C)C)c1 2326356841 IESUTXWGTTWKRO-UHFFFAOYSA-N 428.989 5.703 30 10 IKEE CCCOc1ccc(C=Nn2c(C)nnc2SCc2ccc(C)cc2C)cc1OCC 2326432805 ADRUDKBLONYQMS-UHFFFAOYSA-N 438.597 5.565 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1cccc(C(F)(F)F)c1 2326470609 JTCXSBPZAKHPGC-UHFFFAOYSA-N 438.906 6.077 30 10 IKEE C=CCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1ccc(Cl)cc1 2327016756 QRNIPSBXHDWBCV-UHFFFAOYSA-N 426.973 5.412 30 10 IKEE CCCSc1nnc(COc2ccccc2Cl)n1N=Cc1cccc(OCC)c1 2327674482 XJXGBJVDOWWVMM-UHFFFAOYSA-N 430.961 5.294 30 10 IKEE Cc1ccc(C)c(CSc2nnc(COc3c(C)cccc3C)n2N=Cc2ccco2)c1 2328558535 UNWIXOMSUUGILJ-UHFFFAOYSA-N 446.576 5.858 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccc(C)c(C)c3)n2N=Cc2ccco2)cc1 2328768859 MSVVWZQAWILRCE-UHFFFAOYSA-N 432.549 5.550 30 10 IKEE Cc1cccc(OCc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccccn2)c1C 2328829458 FANFXZHEUGXNJP-UHFFFAOYSA-N 447.539 5.183 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc(C(C)(C)C)cc1 2329101326 PYWDTKBKOZHTKB-UHFFFAOYSA-N 439.028 6.370 30 10 IKEE Clc1ccc(CSc2nnc(CCc3cccs3)n2N=Cc2ccncc2)cc1 2329685266 VKRGRXRXEGGIJJ-UHFFFAOYSA-N 439.997 5.348 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(F)cc3)n2N=Cc2ccccc2F)c1 2329817046 ISQSKUZWPMVFMF-UHFFFAOYSA-N 434.515 5.630 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cccs1 2330129285 BHJPOMPGCQVETK-MRXNPFEDSA-N 439.009 6.319 30 10 IKEE COc1cc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccccc2)ccc1O 2330271348 MUAIPBNIVUEMCU-UHFFFAOYSA-N 436.581 5.290 30 10 IKEE Cc1ccc(CSc2nnc(Cc3cccs3)n2N=Cc2cc(C)ccc2O)cc1 2330317000 JXLDOTFTOYYASN-UHFFFAOYSA-N 434.590 5.427 30 10 IKEE Cc1ccc(CSc2nnc(-c3cccs3)n2N=Cc2cccc([N+](=O)[O-])c2)cc1 2330530181 QPYZHYIQMQQBMZ-UHFFFAOYSA-N 435.534 5.398 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OC(=O)[C@H](C)c1ccccc1 2330676060 FVHHWLTVGTVCAT-HXUWFJFHSA-N 436.507 6.454 30 10 IKEE Cc1cccc(CSc2nnc(CC(C)(C)C)n2N=Cc2ccc(Cl)cc2Cl)c1 2330822001 YJQYFHDZXJPSAB-UHFFFAOYSA-N 447.435 6.656 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccc(Cl)cc3)cc2)cc1 2330824679 OQXPSQBEPQSOAT-UHFFFAOYSA-N 446.974 7.117 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3OC)cc2)cc1 2330825683 LZLYPHGFBQILSU-UHFFFAOYSA-N 442.555 6.472 30 10 IKEE Cc1cccc(CSc2nnc(C3CCCC3)n2N=Cc2cccc3ccccc23)c1 2331045418 NXGWWNRASRSPIO-UHFFFAOYSA-N 426.589 6.572 30 10 IKEE CCCCCCOc1ccc(C=Nn2c(SCC)nnc2C2CCCC2)cc1OC 2331054861 LGJJUVKOMHRQGJ-UHFFFAOYSA-N 430.618 5.898 30 10 IKEE Cc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CCCC2)cc1 2331084649 XWYDVVBAZXHYJN-UHFFFAOYSA-N 426.589 6.572 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)c1cccc2ccccc12 2331235127 SPEZPJHHAKCXAF-UHFFFAOYSA-N 436.507 6.581 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 2331330855 LIXQLAMAFNVFIQ-UHFFFAOYSA-N 445.471 5.644 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(F)c(F)c2)c(Cl)c1 2331359012 PSBKHHBYYFAYJU-UHFFFAOYSA-N 442.845 6.051 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1cnccn1 2331429247 IIWHZDJFRBKXBN-UHFFFAOYSA-N 430.504 5.288 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc2c(c1)OCO2 2331434212 JXIVLICKCZKRDU-UHFFFAOYSA-N 441.266 5.837 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1 2331592618 IJAIJCNOJUJQAB-UHFFFAOYSA-N 428.528 7.251 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc(C=CC(=O)c3cc(C)c(OC)cc3C)cc2)c1 2331835563 QMNKNYNXQDIAMN-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Cl)cc(Br)c1F 2337112416 RTTXASRDYADOOL-NVXWUHKLSA-N 449.792 5.752 30 10 IKEE CC1(C)OB(C=Cc2ccc(N[C@H]3CCCCCN(Cc4ccccc4)C3)nc2)OC1(C)C 2365117706 QFPOMUMMQYJMFM-DEOSSOPVSA-N 447.432 5.583 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(C)cc(Br)c1OC 2365216568 VTHIEOLMJORXOG-ZWKOTPCHSA-N 441.410 5.276 30 10 IKEE CC1(C)OB(c2ccc(CSc3ccc(F)c(F)c3)cc2Br)OC1(C)C 2377320157 ZJMHBZFVHPVDQL-UHFFFAOYSA-N 441.146 5.319 30 10 IKEE Cc1cccc(/C=N/n2c(-c3ccc(OC(F)F)cc3)cs/c2=N\C2CCCCC2)c1 13134376 FZFFVDCXWRCREZ-WNLIITMTSA-N 441.547 6.242 30 10 IKEE C=CCNC(=O)c1cccc2c1N[C@H](c1ccc3c(c1)c1ccccc1n3CC)[C@@H]1CC=C[C@H]21 13642697 VIKGYRWXPGDTTC-IKCVQBBRSA-N 447.582 6.557 30 10 IKEE CCCCOc1ccc(/C=C2\S/C(=N\c3cccc(O)c3)N(CC)C2=O)cc1OC 16935776 ZQHSWCXRRWVJPO-PZUCIDFCSA-N 426.538 5.204 30 10 IKEE c1ccc(CCCSc2nnc(NN=C(Cc3ccccc3)Cc3ccccc3)[nH]2)cc1 20908887 BJNMGUVHEINZFR-UHFFFAOYSA-N 441.604 5.783 30 10 IKEE COc1ccc(/N=C2\[C@H](N3CCCCC3)C(C)(C)C(=O)N2c2ccc(Cl)cc2)cc1 21152152 SRPAIVWLEBJDKG-XIPYDIPCSA-N 425.960 5.306 30 10 IKEE CCCCOc1ccc(/C=C2\CCCC/C(=C\c3ccc(OCCCC)cc3)C2=O)cc1 33772504 DXHBHRMCGDUROF-CDTUYSNOSA-N 432.604 7.655 30 10 IKEE CCOc1cc(/C=N/Nc2nc(C)cc(COC)c2C#N)ccc1OCc1cccc(C)c1 33959791 HRBYLZHDTLUTTJ-RWPZCVJISA-N 444.535 5.140 30 10 IKEE O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(NC(=O)c2cccs2)c1 39850964 YZWCQXYLKPPZPF-ZRDIBKRKSA-N 444.468 6.065 30 10 IKEE C[C@@H]1Oc2ccc(-c3csc(-c4ccccc4)n3)cc2N(Cc2ccc(C#N)cc2)C1=O 40593863 XFWIBTIIINQHSS-KRWDZBQOSA-N 437.524 5.663 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1cccc(F)c1)C3=O)CN(CCCc1ccccc1)CO2 41587674 FZGABGCCXOMAEY-OYKKKHCWSA-N 429.491 5.535 30 10 IKEE CC(=O)/C(=N/Nc1ccc(Cl)cc1)Sc1ncc(-c2ccccc2)n1-c1ccccc1 59121443 PEEFFZNNQWQUSA-NFFVHWSESA-N 446.963 6.299 30 10 IKEE CCc1ccc(NC(=O)CSc2nc3ccc(/N=C/c4ccc(F)cc4)cc3s2)cc1 59500292 YXKVHWBYFMFPGJ-VULFUBBASA-N 449.576 6.479 30 10 IKEE COc1ccc(C(=O)/N=C(/NCCc2c[nH]c3ccccc23)Nc2cc(C)cc(C)c2)cc1 66437678 DGQKBSUQSYCLGN-UHFFFAOYSA-N 440.547 5.234 30 10 IKEE CN1C(=O)C[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)S/C1=N\c1cccc(Cl)c1 100263177 PYFCTNRXJNGSJC-VKWHMPGMSA-N 442.755 5.237 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)N[C@@H](C)CCCN(CC)CC 100444489 UQHMJYPQLXGPBB-QFIPXVFZSA-N 427.743 6.189 30 10 IKEE CCCCCCCCn1c([C@H]2CC(=O)N(c3cccc4ccccc34)C2)nc2ccccc21 101042097 YCDRVPIHMFHIDW-QHCPKHFHSA-N 439.603 7.071 30 10 IKEE CCCCCCCCCCn1c([C@H](C)NC(=O)Cc2ccc(OC)cc2)nc2ccccc21 102131411 CDYHBAMOTLAXPX-QFIPXVFZSA-N 449.639 6.606 30 10 IKEE CCCCCCCn1c(CCCCCNC(=O)Cc2ccccc2C)nc2ccccc21 102176537 GZBMMBWAHYMKFI-UHFFFAOYSA-N 433.640 6.387 30 10 IKEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 102601618 PGFHTKZSXLUQRR-UGUGFTGJSA-N 431.919 5.313 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(OC(C)C)cc1 169978988 ZKTZINQLWDQFAW-HSZRJFAPSA-N 437.536 5.251 30 10 IKEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2cccs2)cc1 169982039 AIUYCKKFMSDRQV-QFIPXVFZSA-N 443.528 5.078 30 10 IKEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2cccnc2)cc1 170001312 GRBKVJFPNNEQHY-VWLOTQADSA-N 449.510 5.084 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccncc2)cc1 170017070 FBGMLIPKJTZNEV-JOCHJYFZSA-N 446.934 5.815 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2C2CCCCC2)cc1 170031535 SXYPUUCYTFLQIB-XMMPIXPASA-N 444.531 5.478 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2cccc(C)c2)c1 170035582 KRTYXXKSFLWKGW-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 170150195 IVKJJVXMJATZGL-HSZRJFAPSA-N 435.564 5.760 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1cccs1)c1ccc(Cl)c(Cl)c1 170155414 ZTHYJHKLMFHJET-GOSISDBHSA-N 448.302 5.977 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2cccs2)cc1 170157555 HJEAZUTYOVSBOT-NRFANRHFSA-N 430.485 5.021 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@H]1c1cccs1 170158619 DBGNWKPZJBOUNH-NRFANRHFSA-N 437.492 5.296 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2OC)[C@H]1c1ccc(OCC)cc1 170214414 QOJKBISNXSOJKT-HSZRJFAPSA-N 437.536 5.171 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(OCCC)cc1 170215438 RPPUMIIUCUSHHZ-RUZDIDTESA-N 443.543 6.007 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccccc1 170230496 QMNYRFKKMKOSRN-QHCPKHFHSA-N 429.516 5.664 30 10 IKEE COCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1ccc(Cl)cc1 170234978 UTTNENHZHHHTFP-OAQYLSRUSA-N 441.955 5.171 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(F)cc2)c1 170239026 PSZZMPQOMUEJGP-GYCJOSAFSA-N 443.474 5.240 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(F)cc1)c1ccc2c(c1)CCCC2 170242257 GDTJOJKNJDPGEU-DEOSSOPVSA-N 433.523 5.616 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1ccccc1F 170252704 NPYCXNMVTHDEMW-HXUWFJFHSA-N 427.859 5.604 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(OC)c3)=C(O)C(=O)N2c2ccccc2)cc1 170265327 SXTUCCPKMLJKCG-QHCPKHFHSA-N 447.918 5.694 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1C1CCCCC1 170275332 UIAKJEQMAMUCKB-DEOSSOPVSA-N 433.548 5.693 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@H]1c1ccccc1C 170277261 MABLFKYBBBFWAW-OAQYLSRUSA-N 427.928 5.426 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@@H]1c1ccco1 170295046 DQNPOXMUYXNFAN-IBGZPJMESA-N 436.533 5.480 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccc(C)o2)cc1 170300625 LVCOPUVSRZOPIW-XMMPIXPASA-N 445.515 5.721 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2sccc2C)cc1Cl 170314879 FAHNEVDKTFKNQE-LJQANCHMSA-N 439.920 5.501 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 170421844 JYZQLKJENPOKNL-HSZRJFAPSA-N 449.909 5.609 30 10 IKEE Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)/C=C/c3cccc(Cl)c3)cc(C)c2c1 170536264 VUFIVMIVRRVYKA-BQYQJAHWSA-N 441.922 5.523 30 10 IKEE Cc1cccc(-c2nc3cc(N=Cc4cc(Cl)cc(Br)c4O)ccc3o2)c1 252611756 INBUAJPSCZSKAK-UHFFFAOYSA-N 441.712 6.675 30 10 IKEE C=CCn1c(SCC(=O)NCc2ccc(C)cc2)nnc1-c1ccc2ccccc2c1 253578540 YMGIWMNFGIIPFS-UHFFFAOYSA-N 428.561 5.001 30 10 IKEE C=CCNC(=S)NN=Cc1cn(CCOc2ccc([C@H](C)CC)cc2)c2ccccc12 254616876 WLBZRGFXYGYMOQ-LJQANCHMSA-N 434.609 5.218 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(Sc3ccccc3)C2=O)cc1Cl 526659720 ZBECLGGOHKIJOD-UHFFFAOYSA-N 445.931 5.509 30 10 IKEE CC(=O)Oc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)c1 526743647 BYPRGGRXQWQPJL-JOCHJYFZSA-N 447.874 5.048 30 10 IKEE CCOc1c(/C=N\n2c(C)nnc2SCc2ccc(C(C)(C)C)cc2)cccc1OC 526805969 TWSMGWDISWANIT-MYYYXRDXSA-N 438.597 5.466 30 10 IKEE C=CCCN(C(c1ccccc1)c1ccccc1)S(=O)(=O)c1cc(Cl)ccc1OC 586155393 BEJURGVALBSIPY-UHFFFAOYSA-N 441.980 5.705 30 10 IKEE C=CCNC(=O)Nc1cccc(C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)c1 586622410 WPVBCDRPSSCUTC-UHFFFAOYSA-N 435.911 5.479 30 10 IKEE Clc1ccc(C=NN=CC2=C(N3CCOCC3)/C(=C\c3ccccc3)CC2)c(Cl)c1 606347744 YGXDHBMIXAEQOA-ATJBVZLISA-N 440.374 5.862 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@H](C#N)c1cc(Br)ccc1Cl 698457014 OVAYTPGVPRNTHD-QGZVFWFLSA-N 427.770 6.237 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCC1)[C@@H](C#N)c1ccc(I)cc1 698816722 QZAFAIJEZCEAMH-INIZCTEOSA-N 426.298 5.036 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@]1(C#N)CCc2cc(Br)ccc21 698822996 DQDWLLCACOOUNS-HXUWFJFHSA-N 433.371 5.613 30 10 IKEE Cc1ccc(N=C2S/C(=C\c3ccc(O)c(O)c3)C(=O)N2c2ccc(C)c(C)c2)cc1C 1082990339 MVICUDFZPKLORN-FMFFRLIPSA-N 444.556 6.140 30 10 IKEE C=CCSc1nc2ccc(N=Cc3ccc(Sc4nc5ccccc5[nH]4)o3)cc2s1 1084430133 UYEOAEPJNXVATO-UHFFFAOYSA-N 448.598 6.946 30 10 IKEE COc1ccc(Cl)cc1NC(=O)[C@@]12CC[C@@](C)(C(=NNc3ccccc3)C1=O)C2(C)C 1772722429 VLCFQLHBVCVXNR-BJKOFHAPSA-N 439.943 5.151 30 10 IKEE CCCCCCn1c2ccccc2c2nnc(NN=Cc3cccc(OC)c3OCC)nc21 1772764982 MOBGNOPPDBMIJX-UHFFFAOYSA-N 446.555 5.413 30 10 IKEE N#Cc1cccc(C(=O)Nc2ccc(Cl)c(NC(=O)c3ccccc3C(F)(F)F)c2)c1 1860461907 YLRQVRWEACXZAH-UHFFFAOYSA-N 443.812 5.735 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cccc(C)c1 1861807969 JJOASDXMPRDXFO-RUZDIDTESA-N 440.603 5.732 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc2nc(-c3ccc(OC)cc3OC)[nH]c2c1 1861874141 VXXCODWYLMOFHP-UHFFFAOYSA-N 437.584 6.118 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccccc1 1862380331 ZVUCKPFODZSLLH-RFVSGWPVSA-N 444.358 6.150 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)cc1 1862387372 IULWBXSQHLKBGZ-RUZDIDTESA-N 425.528 5.808 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2ccccc2[N+](=O)[O-])cc1 1862393608 ZDUFRXZWRQANRC-AOMKIAJQSA-N 436.508 5.314 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccccc1Cl 1862417571 USAJJWXXJAMQSG-WHIIXXIBSA-N 445.893 5.775 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CC(C)C)cc1 1862421756 PAJADDNTNFJGNV-JOCHJYFZSA-N 443.490 5.378 30 10 IKEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc(C)c2)cc1 1862475564 PKLUZOIXZSCLPI-KBMIEXCESA-N 441.527 5.652 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cccc2ccccc12 1862493884 AAGOOMPDSARGRM-AREMUKBSSA-N 441.571 6.615 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2cccc(F)c2)ccc1F 1862501581 GDQOGDOSOYXVJZ-QFIPXVFZSA-N 437.417 5.191 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862506820 BBHUYZKVSBBMON-QHCPKHFHSA-N 433.454 5.360 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccccc2)cc1 1862515030 ONSMCZARXNRKEJ-KUWBRRTOSA-N 433.548 5.632 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(C)cc1 1862523249 CQUVMRLKDTYLIF-IFXJQAMLSA-N 428.326 5.134 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2c(F)cccc2Cl)cc1 1862532673 YCANGAKQDRIWSM-NRFANRHFSA-N 429.919 5.666 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(CC)cc1 1862615695 MCQIHUVGTHFCKR-XMMPIXPASA-N 433.592 6.315 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2cccc(F)c2)cc1F 1862637278 DVGRMYNVXYTFJM-IQMFZBJNSA-N 449.453 5.313 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2cccc(F)c2)cc1F 1862637282 DVGRMYNVXYTFJM-WNSKOXEYSA-N 449.453 5.313 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2Cc2ccccn2)cc1 1862648565 FIVXFSPIKZLGDG-VWLOTQADSA-N 434.495 5.322 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc12 1862653560 FHJNSPWDUQVQBH-QHCPKHFHSA-N 442.471 5.269 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(F)cc2F)cc1 1862661808 SFSUMMHHWKOYLD-QHCPKHFHSA-N 448.469 5.262 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 1862663408 RDHADSXIRFZXSX-ISKFKSNPSA-N 433.548 5.130 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CCCCC2)cc1 1862664347 ZJZXPJQAOUWIEO-RUZDIDTESA-N 431.576 6.283 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)c1 1862703187 DDIZHNGJLGTGRH-OUPRXKBMSA-N 449.547 5.251 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc3c2CCCC3)=C(c2ccccc2F)C1=O 1863303048 CUCBXRPUFCWCJR-UHFFFAOYSA-N 448.582 6.257 30 10 IKEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CC)[C@H]1c1cccc(Cl)c1 1864111723 NGIQCOJOFDMYCK-HXUWFJFHSA-N 445.007 5.036 30 10 IKEE N#Cc1cc(Br)c(NC(=O)c2c(O)ccc3ccccc23)c(Br)c1 1866102989 CPLLNSBEOTVGME-UHFFFAOYSA-N 446.098 5.194 30 10 IKEE CCC[C@@H](NC(=O)[C@H](c1ccc(Cl)cc1)C1CCCC1)C(=O)Nc1ccc(C#N)cc1 1867005155 KBSQPDPSGJOXRS-PKTZIBPZSA-N 437.971 5.409 30 10 IKEE C=CCN(CC=C)C(=O)[C@@](C)(CC)NC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)C(C)C 1868862371 ULYODOUTXAWHGM-DENIHFKCSA-N 425.400 5.219 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](CC)NC(=O)COc1ccc(-c2ccc(C(C)(C)C)cc2)cc1 1868896472 GZQDSKRKQSNDAE-VWLOTQADSA-N 448.607 5.125 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)CC23CC4CC(CC(C4)C2)C3)n(-c2ccc(C)cc2)n1 1870000944 HQGSVPLYMOGMPA-UHFFFAOYSA-N 445.611 5.299 30 10 IKEE CC(C)c1cc(C(C)C)cc(-n2nnc(C#N)c2NC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)c1 1870162087 KPMZKEFOAMGIOV-RTWAWAEBSA-N 447.970 5.781 30 10 IKEE CCCCCCCOc1cn(CCc2ccc(OC)cc2)c(CN2CCCC2)cc1=O 1870411127 UUJILDQZPYVFJI-UHFFFAOYSA-N 426.601 5.045 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2c(Cl)cccc2Cl)cn1CC(C)C 1870603325 VHTLAYYLRXGLAC-UHFFFAOYSA-N 435.395 5.564 30 10 IKEE C=CCn1cc(OCc2c(C)cc(C)cc2C)c(=O)cc1CNc1ccc(OC)c(OC)c1 1870802622 AVBCTFDLHWMJLU-UHFFFAOYSA-N 448.563 5.168 30 10 IKEE C=CCOc1cn(Cc2ccccc2Cl)c(CNc2cc(Cl)cc(Cl)c2)cc1=O 1870809977 FVAUSGKHVOALTK-UHFFFAOYSA-N 449.765 6.034 30 10 IKEE CCCCCCCOc1cn(CCN(C)C)c(CNc2cc(Cl)ccc2C)cc1=O 1870838180 SAAHUXDTHNYHBW-UHFFFAOYSA-N 434.024 5.333 30 10 IKEE C#CCOc1cn(CCCCC)c(CNc2cccc(OCc3ccccc3)c2)cc1=O 1871008166 KBMFVFOFNRLIBV-UHFFFAOYSA-N 430.548 5.242 30 10 IKEE CCCCCCCCn1cc(OCCC)c(=O)cc1CNc1ccc(Cl)c(Cl)c1 1871105082 GKSGQFYQIJSXAL-UHFFFAOYSA-N 439.427 6.917 30 10 IKEE C=CCn1cc(OCc2ccc(C(=O)OC(C)C)cc2)c(=O)cc1CNc1cccc(C)c1 1871230469 JIRIXWVHLKCXDM-UHFFFAOYSA-N 446.547 5.099 30 10 IKEE CCCCCCCCCCN=c1nc2c(cnn2C)c(Nc2ccccc2[C@H](C)CC)[nH]1 1871298861 LUTCZHNDKCNCDT-HXUWFJFHSA-N 436.648 6.595 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O3)CN(CCCCCO)CO2 1871351917 HIKDOYQDRYWAFY-HAHDFKILSA-N 435.564 5.223 30 10 IKEE C=CCOc1cccc(C(=O)Nc2ccc3c(C)c(C(=O)c4ccc(Cl)cc4)oc3c2)c1 1871358301 KPHITDDGDFZVCP-UHFFFAOYSA-N 445.902 6.443 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCc4cccc(C(=O)OC)c4)ccc3C2=O)cc1 1871415941 CDTHXEXNXHXMBQ-OYKKKHCWSA-N 430.456 5.067 30 10 IKEE CCCCCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(N(CC)CC)cc1)C2=O 1871427214 SUOZRHXAUBHXGI-JLPGSUDCSA-N 437.536 5.261 30 10 IKEE COc1ccc(C)cc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1cccc(F)c1)C2=O 1871428780 SGBZUYNPHNIWDU-QRVIBDJDSA-N 447.462 5.085 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(Cl)cc2)cc2c1C(=O)/C(=C/C=C/c1ccccc1)O2 1871440793 IGTCSAWMGFNGPD-UPFJJGCZSA-N 445.902 5.838 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCc4cccc(C)c4)ccc3C2=O)c(OC)c1OC 1871454927 AVRKDEATIOUTJD-QRVIBDJDSA-N 432.472 5.216 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Cl)cc1)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1871872968 YJGDLUOGTPKZQR-JOCHJYFZSA-N 449.016 5.187 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)CCCC 1871946087 RIZXHNDDOSBDDN-LJQANCHMSA-N 449.444 5.355 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[C@H](C)CC)S(=O)(=O)CCCC 1872026556 UIHQDIASXPBXSI-DENIHFKCSA-N 436.662 5.345 30 10 IKEE C=C(C)CN([C@@H](C)C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)S(=O)(=O)c1cccs1 1872321771 FNAODWHLUCPBAV-SFHVURJKSA-N 448.654 5.589 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccccc1C(C)C)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872460061 BMLNWIDAYKYLNO-HYBUGGRVSA-N 442.625 5.349 30 10 IKEE CCOc1cc(C(=O)[C@H](C#N)c2nc(-c3cccs3)cs2)cc(OCC)c1OCC 1872770825 FYBIBMYUIQIWQT-HNNXBMFYSA-N 442.562 5.558 30 10 IKEE C=CCOc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2ccc(C(C)(C)C)cc2)cs1 1872773756 XNJGISREGLZHOI-HXUWFJFHSA-N 446.572 5.928 30 10 IKEE COc1ccc(OC)c(CC(=O)[C@H](C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)c1 1872779033 ZYNOKAKZMWFOMZ-FQEVSTJZSA-N 434.561 5.480 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)s2)cs1 1872789750 UCKZIJDXZPCWII-MRVPVSSYSA-N 443.764 6.330 30 10 IKEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2[nH]1 1872807994 OVRFDCYUTFBJDV-UHFFFAOYSA-N 441.531 6.082 30 10 IKEE Cc1ccc(NC(=O)c2cccc(CSc3nc(C)c(C)c(C)c3C#N)c2)cc1Cl 1872893001 BQBPFDPBVGZYEG-UHFFFAOYSA-N 435.980 6.385 30 10 IKEE C=CCN1C(=O)C(Nc2cc(C)ccc2OC(C)C)=C(c2cc(Cl)ccc2Cl)C1=O 1873390708 YUDNPNGQMJEIGU-UHFFFAOYSA-N 445.346 5.467 30 10 IKEE C=CCOc1ccccc1OCc1nc2ccccc2n1Cc1ccc(Cl)cc1Cl 1873516175 QJEFGPLQBBRKNK-UHFFFAOYSA-N 439.342 6.535 30 10 IKEE CCCCCCCCCCNC(=O)c1cc2c(N(CCC)CCCC)ncnc2n1C 1873568180 IAODNIOIAODCAC-UHFFFAOYSA-N 429.653 5.855 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C)c2C)cc2c(NCc3ccc(C)cc3)ncnc21 1873641617 CRKACAKJIMAXKD-UHFFFAOYSA-N 425.536 5.407 30 10 IKEE Clc1ccccc1OCc1nnc(SCCc2ccccc2)n1/N=C/c1cccnc1 1874267648 IJKAVYSYONWCEJ-WGOQTCKBSA-N 449.967 5.123 30 10 IKEE Fc1cccc(CSc2nnc(CCc3ccc(Cl)cc3)n2/N=C/c2ccc[nH]2)c1 1874283037 MFTOTLVVBAZFDY-VULFUBBASA-N 439.947 5.358 30 10 IKEE CCCSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1ccc(Cl)cc1Cl 1874328374 LLBVFMXUQKALIS-WYMPLXKRSA-N 449.407 6.165 30 10 IKEE C=C(C)CSc1nnc(Cc2ccccc2F)n1/N=C/c1ccc(Cl)cc1Cl 1874375956 WUXQLFFZWXRAAR-BHGWPJFGSA-N 435.355 5.865 30 10 IKEE COc1cccc(/C=N/n2c(COc3ccccc3)nnc2SCc2ccccc2)c1 1874384317 JLGLVHBCWHULAL-PCLIKHOPSA-N 430.533 5.040 30 10 IKEE C=CCSc1nnc(CC2CCCCC2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874409098 FXCHLCRZEZLELW-ZXVVBBHZSA-N 446.620 6.140 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(CC2CCCCC2)n1/N=C/c1ccco1 1874409471 YVJSVYFKESDTTI-ZMOGYAJESA-N 449.407 6.475 30 10 IKEE Cc1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2ccc3c(c2)OCCO3)cc1 1874420181 FHSWVWVWGPILAM-ZVHZXABRSA-N 448.573 5.261 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2cc(Cl)ccc2O)cc1 1874425586 QBTNHECJQMUJEX-AFUMVMLFSA-N 434.952 5.787 30 10 IKEE CCOc1cccc(/C=N/n2c(SCCc3ccccc3)nnc2-c2ccccc2)c1 1874428567 PCRMFYLRZLGXOI-LGUFXXKBSA-N 428.561 5.561 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874440571 ITPZUZPHCHMIPP-YDZHTSKRSA-N 443.960 5.603 30 10 IKEE Cc1ccccc1/C=N/n1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1C1CCCC1 1874457199 FXSYRLLGFAASKH-JHKMYFMNSA-N 447.608 5.096 30 10 IKEE CCSc1nnc(C(F)(F)F)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874460137 NLPALUWVYZKOBM-BHGWPJFGSA-N 440.878 5.524 30 10 IKEE Fc1cccc(Cl)c1/C=N/n1c(SCCc2ccccc2)nnc1C(F)(F)F 1874461439 NGXSLSDUVPADTR-BHGWPJFGSA-N 428.842 5.306 30 10 IKEE Fc1ccc(CSc2nnc(-c3ccco3)n2/N=C/c2ccc(Cl)cc2Cl)cc1 1874465395 HBSFOYIQBQRZQF-BHGWPJFGSA-N 447.322 6.159 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2-c2ccco2)c1 1874467559 PKKMVKHHPQIEGH-ZVHZXABRSA-N 438.940 5.765 30 10 IKEE CC(C)COC(=O)CSc1nnc(-c2ccco2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874468347 DLJWJNUNHUMSPX-ZMOGYAJESA-N 440.569 5.009 30 10 IKEE COCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc(F)cc1 1874474588 KJKASZCLMXJCFN-FOKLQQMPSA-N 439.343 5.087 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccccc1OC(C)C 1874479687 MIFVEJYSIODPTA-MFKUBSTISA-N 443.016 6.236 30 10 IKEE CC(C)Cc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccccc1C(=O)O 1874492090 YUVMAXPYSLRFKT-BHGWPJFGSA-N 446.935 5.142 30 10 IKEE O=C(COc1ccccc1/C=C/C(=O)c1ccc2ccccc2c1)Nc1ccccc1F 1874571645 YHVSTILTGIETNB-FOCLMDBBSA-N 425.459 5.893 30 10 IKEE O=C(/C=C/c1cc(Br)ccc1OCc1ccc(F)cc1)c1cccc(Cl)c1 1874577646 ZDOUYSKNNVJMLM-UXBLZVDNSA-N 445.715 6.717 30 10 IKEE C[C@H](NC(=O)COc1ccccc1/C=C/C(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 1874581954 OMRUATOFADOEBQ-HCUHUEOSSA-N 441.571 6.136 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccccc2C)cc1C(C)C 1874585669 ZLMIUFHOMZMBDD-ZRDIBKRKSA-N 448.990 7.564 30 10 IKEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(OC)c(C)c3)cc2Cl)o1 1874607271 ZWPPNQYCZHBOFY-XBXARRHUSA-N 440.879 5.512 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OCc1cccc(C)c1 1874626162 PEYIMDULFFBYSH-JLHYYAGUSA-N 444.571 6.785 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc([N+](=O)[O-])c1OCc1ccc(F)cc1 1874633114 MNQXTTLXFCQSHF-XYOKQWHBSA-N 449.478 6.225 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OCc2cccc(Cl)c2)cc1 1874634743 RPKNNPDLOAUXLK-DHZHZOJOSA-N 427.327 6.786 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OC(=O)c1ccc2c(c1)OCO2 1874699341 QHOQUEXGPZLNGC-VMPITWQZSA-N 436.847 5.193 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccc(F)cc3)c2)cc1 1874701981 OVISLTCDCCIFOL-MKMNVTDBSA-N 448.490 5.667 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(F)cc3F)c2)cc1 1874702087 RPXUVLNPNGMOFI-AWNIVKPZSA-N 436.454 5.798 30 10 IKEE CCc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(Cl)c(Cl)c3)c2)cc1 1874702996 ULECAGZJGSCTIG-MDWZMJQESA-N 425.311 6.671 30 10 IKEE COc1cccc(OCC(=O)Oc2cc(/C=C/C(=O)c3cc(C)ccc3C)ccc2OC)c1 1874703230 GCKYPGRDRIQOHM-ZRDIBKRKSA-N 446.499 5.201 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OC(=O)c1cccc([N+](=O)[O-])c1 1874703621 YGQUKPQBNKPFIX-PKNBQFBNSA-N 431.444 5.336 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1cccc(/C=C/C(=O)c2c(C)cc(C)cc2C)c1 1874716150 DJKPBTGQHKQUSB-CSKARUKUSA-N 434.919 6.389 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccccc3F)c2)cc1C 1874718345 VHCSMRRPFLGYOP-PKNBQFBNSA-N 448.490 5.504 30 10 IKEE Cc1cncc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4ccccc4c3)cc2[N+](=O)[O-])c1 1875095558 VZFPGMGFMUZNIT-UXBLZVDNSA-N 438.439 5.567 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(OC)c1OC(=O)[C@@H]1CCCO1 1875095968 QGBFHBYKEBBZBZ-MYILAFDMSA-N 442.511 5.557 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 1875110256 BYQBYNPKPHMZGN-OQLLNIDSSA-N 448.946 6.761 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)c(F)c3F)c(OC)c2)cc1 1875115170 PTUKCMOXCAGQBW-QDEBKDIKSA-N 442.389 5.236 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)c1ccccc1Cl 1875119702 IGZXFLGCTJDEPJ-WYMLVPIESA-N 436.891 5.863 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC(=O)c1ccc(F)c(F)c1 1875122177 HBJYSAZHUSMKCC-YCRREMRBSA-N 444.380 5.757 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OC(=O)Cc1ccc(F)c(C)c1 1875127824 ZJHGQZKCYJCYJJ-PKNBQFBNSA-N 438.882 5.840 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)COc1ccc(C)c(C)c1 1875136917 MAKRPHOJBWOOGT-NTEUORMPSA-N 444.527 5.891 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OC 1875142474 FQTMTIREJXNPGK-MDWZMJQESA-N 448.490 5.586 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2OC)cc(OC)c1OC(=O)c1cccnc1 1875144022 BVMLVVTWPUSTBU-ZHACJKMWSA-N 443.499 5.251 30 10 IKEE Cc1ccsc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 1875148897 ZLCPXXSEOZBYJN-VZUCSPMQSA-N 449.528 6.378 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)c(F)c2)c([N+](=O)[O-])c1)c1ccc(F)cc1 1875159462 DFTUOMKBXZIHSF-XLUWADSXSA-N 427.334 5.127 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)C1CCCC1 1875174786 IKDVKIACQQTFNX-ZRDIBKRKSA-N 426.940 6.347 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1 1875184049 GDIIQNMZYOGYCK-CAPFRKAQSA-N 434.620 7.845 30 10 IKEE O=C(Nc1cccc(-c2ccc(C(F)(F)F)cc2)c1)c1ccc(C(F)(F)F)c(F)c1 1890642374 KYVFIJAGUBHKDJ-UHFFFAOYSA-N 427.319 6.783 30 10 IKEE CC(C)(C)c1cc(CCC(=O)N2CC=C(c3cncc(C#N)c3)CC2)cc(C(C)(C)C)c1 1891007291 TUJVILXFZAONFB-UHFFFAOYSA-N 429.608 5.797 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Cl)cc1Br 1898789642 UIBYBRJYHMYDAZ-ZWKOTPCHSA-N 445.829 6.003 30 10 IKEE CC(C)[C@H](CS)CSc1cc(I)ccc1Br 1900790872 ANSIGUZCQLRTFO-SECBINFHSA-N 431.202 5.348 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NC)[C@@H](CNC(=O)OC(C)(C)C)CC1CCCCC1 1922087216 XBOPFYFDDJSSON-DNQXCXABSA-N 430.633 5.459 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1ccc(I)c(Cl)c1 1922091503 KAJMZIQRNWCZDY-IBGZPJMESA-N 441.740 5.368 30 10 IKEE CCCCCCCC1(C(=O)O)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1951975876 TWTGMLFGRNJYRI-UHFFFAOYSA-N 449.591 6.463 30 10 IKEE CC(C)(C)OC(=O)N(CCNc1cc(Br)ccc1C#N)OCc1ccccc1 1955809268 ULKFHKRJXKPUJD-UHFFFAOYSA-N 446.345 5.102 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@]1(C#N)CCCC[C@H]1OCc1ccccc1 1998817777 IWNKGWFKUIXKSQ-BVAGGSTKSA-N 426.601 6.368 30 10 IKEE CCCN[C@H](CC#CC1CC1)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2041905564 JGURMOZGVVQRAN-SQHAQQRYSA-N 440.628 5.002 30 10 IKEE C[C@@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)[C@H](OCc2ccccc2)C1 2043773939 LZWBIKLKGBMLLM-GVCORALISA-N 438.543 6.235 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)[C@@H]2CC[C@@H]21 2057587897 YZWTWFUXFPVVDG-OHUGHZGNSA-N 447.620 5.628 30 10 IKEE C=C1C[C@@H]1C[C@@H](NCCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071267883 USUNVPCZNVHQQI-KAYWLYCHSA-N 427.588 6.852 30 10 IKEE COc1ccc([C@@H](n2nc(C(F)(F)F)c(C=NO)c2Br)C(C)(C)C)cc1 2079893968 VXYSFNRRGCFVRX-CQSZACIVSA-N 434.256 5.117 30 10 IKEE CC(C)(C)[C@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C2CCC2)c(C=NO)c1Cl 2080007717 QAGAZOWOVZEZFO-KRWDZBQOSA-N 431.861 6.406 30 10 IKEE N#Cc1c(-c2ccccc2)nn(Cc2ccc(F)cc2Br)c1Br 2080353541 VARXNTAENMFMNA-UHFFFAOYSA-N 435.094 5.134 30 10 IKEE CCCCCC#CC[C@H](NCCC)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2083431203 QQZPTKFFVSAORP-DQEYMECFSA-N 443.676 5.354 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(Cc3ccccc3)C3(CC3)C2)cc1 2104010984 YOVREIGMXBSWDL-MHZLTWQESA-N 447.579 5.528 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](CNc2cccc(Br)c2C#N)(C(C)(C)C)C1 2162290590 AICQJMCOXPGJIB-NRFANRHFSA-N 436.394 5.406 30 10 IKEE CC(C)(C)OC(=O)N1CCc2sccc2[C@H]1CNc1ccc(C#N)c(Br)c1 2194007138 XCEITCQZRKBXJK-QGZVFWFLSA-N 448.386 5.329 30 10 IKEE C=CCN(CC[C@@H](NCCC)c1cc(F)c(Br)cc1F)C(=O)OC(C)(C)C 2198207145 ZQDSBYSIWXRJOC-GOSISDBHSA-N 447.364 5.581 30 10 IKEE C=CCC[C@@H](NCCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229122440 GAKUNNZGGVVSDX-RTBURBONSA-N 425.411 5.219 30 10 IKEE COc1ccc(C#CC(=O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1 2237845316 WQBMULAOAVLQQG-UHFFFAOYSA-N 448.518 6.088 30 10 IKEE CC[C@@H](C)N(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(C)C)c1 2267102770 YKUVAEPKPJHGTQ-HXUWFJFHSA-N 435.417 5.550 30 10 IKEE CCCOc1ccc(C(=O)C(=Cc2ccc(OC)c(OC)c2)c2nc3ccccc3o2)cc1 2296695656 QQASDACJHZEFFN-UHFFFAOYSA-N 443.499 6.057 30 10 IKEE CCCCCCCOc1cccc(NC(=S)NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)c1 2313861761 FIGLLTHTKWTVRG-UHFFFAOYSA-N 441.553 5.470 30 10 IKEE O=C(C=Cc1ccc(-c2ccccc2Cl)o1)c1ccc(NC(=O)c2ccccc2)cc1 2314457054 VWALHFJDLAGLFJ-UHFFFAOYSA-N 427.887 6.748 30 10 IKEE C=CCN1C(=O)C(=CC=Cc2ccccc2)SC1=Nc1nc(-c2ccccc2)cs1 2314544174 VODSQKPVTNJECU-UHFFFAOYSA-N 429.570 6.156 30 10 IKEE O=C(C=Cc1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc(Cc2ccncc2)cc1 2318788167 DTPGCEMCOHBVDB-UHFFFAOYSA-N 448.522 5.472 30 10 IKEE C=Cc1ccc(COc2ccc3c(c2)OC(=Cc2ccc(N(CC)CC)cc2)C3=O)cc1 2321869617 WHMWZESQNCZTSW-UHFFFAOYSA-N 425.528 6.371 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1cn(C)c4ccccc14)O3)CN(Cc1ccco1)CO2 2321962536 IREHZFVZWPMHML-UHFFFAOYSA-N 426.472 5.048 30 10 IKEE CCOc1ccc(Cc2nnc(S)n2N=Cc2cccc(OCc3ccccc3)c2)cc1 2322083273 WVGIKPVSPBWOIP-UHFFFAOYSA-N 444.560 5.018 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2)Oc2c1ccc1c2CN(Cc2ccc3c(c2)OCO3)CO1 2322099069 PVCFAHBBVZBDNN-UHFFFAOYSA-N 447.874 5.037 30 10 IKEE Cc1ccc(CN2COc3c(cc4c(c3C)OC(=Cc3ccc(Cl)cc3)C4=O)C2)cc1 2322307618 UCNDIJAJOWHCCL-UHFFFAOYSA-N 431.919 5.925 30 10 IKEE COc1ccc(CN2COc3c(cc4c(c3C)OC(=Cc3cccs3)C4=O)C2)cc1OC 2322420931 KBQHKTWGVXGODK-UHFFFAOYSA-N 449.528 5.042 30 10 IKEE CCCOC(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccc(Cl)c(Cl)c1 2322582304 RQJKDDDGYXUGPW-UHFFFAOYSA-N 443.326 6.375 30 10 IKEE Cc1ccc(C)c(COc2ccc3ccccc3c2C=CC(=O)c2ccc(C(C)(C)C)cc2)c1 2322684192 IPXWYAOKCHTYMZ-UHFFFAOYSA-N 448.606 8.229 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C)c(C)c2)c1OCC(=O)N[C@H](C)c1ccccc1 2322900938 CJEUJBXBDIWRTC-OAQYLSRUSA-N 443.543 5.464 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2Cl)cc1OCC(=O)Nc1cc(C)ccc1C 2323087708 WVAOOWMRDSFMBJ-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1cccc(Br)c1)C2=O)c1cccc(F)c1 2323288990 DZDQVLMYYTZTHP-UHFFFAOYSA-N 439.236 5.424 30 10 IKEE CCN(CC)C(=O)COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC 2323303094 HKYDMLGMJHFPKG-UHFFFAOYSA-N 437.580 5.444 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(OC)c2)ccc1OCCc1ccccc1 2323458736 CTUNQUMHQHOMJY-UHFFFAOYSA-N 432.516 5.620 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OCc3cccc(C)c3)c(OC)c2)cc1C 2323561248 UUFULGHJLDAMFW-UHFFFAOYSA-N 432.516 5.804 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl 2323675897 YTAAADPVSXNZOJ-UHFFFAOYSA-N 444.915 5.172 30 10 IKEE Cc1ccc(-c2csc(NN=Cc3cccc(OCc4ccc(Cl)cc4)c3)n2)c(C)c1 2323840250 FMQQWDPPKVDDDE-UHFFFAOYSA-N 447.991 7.105 30 10 IKEE CCOc1c(Br)cc(C=NNc2nc(-c3ccc(C)cc3)cs2)cc1OC 2323840459 GFKPEUYIGJEYGM-UHFFFAOYSA-N 446.370 5.734 30 10 IKEE CCOc1cc(OCC)c([N+](=O)[O-])cc1C=NNc1nc(-c2cccs2)c(C)s1 2323864671 GEBIXGVGDOKQQC-UHFFFAOYSA-N 432.527 5.332 30 10 IKEE Cn1cc(C=C2Oc3c(ccc(O)c3CN3CCCc4ccccc43)C2=O)c2ccccc21 2324023830 PYKSBEJYGLPMJM-UHFFFAOYSA-N 436.511 5.453 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(OC)ccc2OC)ccc1OCc1ccc(F)cc1 2324029812 YNCCJTPIUDWRCZ-UHFFFAOYSA-N 436.479 5.717 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2F)c([N+](=O)[O-])c1)c1cc(Cl)ccc1Cl 2324662209 BLFSRJLKUCFYEL-UHFFFAOYSA-N 446.261 6.516 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1cccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)c1 2325669107 AOIXCRBTJRTYMA-UHFFFAOYSA-N 436.482 6.537 30 10 IKEE O=C(Oc1cccc(C=CC(=O)c2ccc(F)cc2F)c1)c1cccc(Br)c1 2325725879 GEKWILPBKVICFL-UHFFFAOYSA-N 443.243 5.843 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(-n4cccc4)cc3)c2)cc1 2325734817 ZCGGHPMOSKCFMN-UHFFFAOYSA-N 437.495 5.991 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OC(=O)c1ccc(F)cc1F 2325750465 OBKIITFYPYZXAK-UHFFFAOYSA-N 436.454 6.212 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)CCc3ccccc3)c2)cc1C(C)C 2325754108 AFZHRCULENKLMN-UHFFFAOYSA-N 442.555 6.561 30 10 IKEE CCSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1ccccc1Cl 2325912248 UMKLHSYRQXKDHK-UHFFFAOYSA-N 441.771 5.812 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1cn(CC)c2ccccc12 2326474920 GTRHABRZSCXRDY-UHFFFAOYSA-N 438.000 6.033 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1c(O)ccc2ccccc12 2326697881 VASXQDJNEDVSBL-UHFFFAOYSA-N 443.359 5.927 30 10 IKEE CSc1nnc(Cc2cccc3ccccc23)n1N=Cc1c(Cl)cccc1Cl 2327702796 COJCRGNZVAQRLB-UHFFFAOYSA-N 427.360 5.933 30 10 IKEE Cc1ccc(OCc2nnc(SCc3cccc(F)c3)n2N=Cc2ccncc2)cc1C 2328782119 GVKCBTRRBDDNHY-UHFFFAOYSA-N 447.539 5.183 30 10 IKEE COc1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCc2cccc(C)c2)cc1 2329817063 QXJMNMHYSCOUOK-UHFFFAOYSA-N 446.551 5.500 30 10 IKEE Fc1cccc(C=Nn2c(COc3ccccc3)nnc2SCc2cccc(F)c2)c1 2329898418 PZXRFDVHXXPMCI-UHFFFAOYSA-N 436.487 5.310 30 10 IKEE Cc1ccsc1C=Nn1c(COc2ccccc2)nnc1SCc1ccccc1F 2329919000 VWXVMOVYXFTWJF-UHFFFAOYSA-N 438.553 5.541 30 10 IKEE C=CCSc1nnc(COc2ccccc2)n1N=Cc1ccc(OCCCCC)cc1 2329920326 DDIJLHAJHBHQHA-UHFFFAOYSA-N 436.581 5.586 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(O)cc1 2330063883 ZUTYJRTYIRVZFT-KRWDZBQOSA-N 432.524 5.449 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3)n2N=Cc2ccc(O)cc2O)c1 2330492879 DWEJMDVTXNLMBQ-UHFFFAOYSA-N 444.560 5.071 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(Cl)c1OC(=O)c1ccccn1 2330649335 SCQIPOPCZPTLKL-UHFFFAOYSA-N 443.886 6.012 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(Cl)cc3)c(Cl)c2)cc1 2330743685 RCKSKRBKSJMKAS-UHFFFAOYSA-N 439.338 6.600 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)CC(C)(C)C)c(Br)c2)c1 2330785681 MBTPLSHLWJVAAX-UHFFFAOYSA-N 431.326 5.695 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)cc3)c(OC)c2)cc1 2330846609 VDVZDQMBXXVQMY-UHFFFAOYSA-N 428.528 6.462 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(SCc2ccccc2)nnc1[C@@H]1CCCO1 2330954795 CCFJWVKBVXCFPB-QHCPKHFHSA-N 444.560 5.466 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C(F)(F)F)cc1 2331150328 JWTZIAIRJMEDHY-UHFFFAOYSA-N 440.878 5.524 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OC(=O)CCOc1ccccc1 2331159631 VUNKCKAIWFLTTC-UHFFFAOYSA-N 436.891 5.619 30 10 IKEE COc1cccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2-c2ccco2)c1 2331232534 UHCOSONZOOARLD-UHFFFAOYSA-N 442.903 5.514 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3cccc(F)c3)nnc2C(C)(C)C)c1 2331382551 FJZCYYTXSUSXLI-UHFFFAOYSA-N 426.561 5.678 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 2331410984 AHEJPHVFHWBIPH-UHFFFAOYSA-N 428.528 6.037 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1cccc(C)c1 2331445371 OCTHRVDMDGRIOT-UHFFFAOYSA-N 430.456 5.238 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3cccc(C)c3C)cc2)cc1F 2331451084 MLXMRTNJJFNFEZ-UHFFFAOYSA-N 434.463 5.332 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(C3CCC3)n2N=Cc2cccc(Cl)c2)cc1 2331503896 RTBYAPJPAZVUJB-UHFFFAOYSA-N 427.917 5.282 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 2331530227 KZDUGWOKXQXWJM-UHFFFAOYSA-N 427.472 6.286 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)c1ccccc1F 2331539725 PJYAUPQPQIROBT-UHFFFAOYSA-N 434.438 5.817 30 10 IKEE O=[N+]([O-])c1ccccc1C=Nn1c(SCc2c(F)cccc2Cl)nnc1C1CCC1 2331546350 PJBZZILPLHHNOW-UHFFFAOYSA-N 445.907 5.421 30 10 IKEE CCCC(=O)Oc1ccc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1Br 2331664790 AFEZTXFYUQIBKQ-UHFFFAOYSA-N 431.326 5.676 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccccc2Cl)cc1 2331780546 OIIMBRAKAZWLKR-UHFFFAOYSA-N 432.947 7.061 30 10 IKEE COc1cc(C=NNc2oc(Cc3cccc4ccccc34)nc2C#N)ccc1OC(C)C 2331932805 XPGCEJJKWUEFCJ-UHFFFAOYSA-N 440.503 5.532 30 10 IKEE CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N/c1cc(C)ccc1C 3019869 RIPRXVWHSDLYBK-ZCGWOIPMSA-N 425.579 5.306 30 10 IKEE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(SC(F)F)cc1 9612928 TYGMPHYMGNNLRQ-PVCXERSVSA-N 447.532 5.148 30 10 IKEE COc1cc([C@H]2C3=C(CCCC3=O)Nc3c2ccc2ccccc32)ccc1OC(=O)C(C)C 12401220 AAFUBARIHVFGAJ-RUZDIDTESA-N 441.527 5.974 30 10 IKEE O=C1ON=C(c2ccccc2)/C1=C/c1ccc(OC(=O)c2ccccc2Br)cc1 15226158 OIGMGGFEPVJKJE-RGEXLXHISA-N 448.272 5.013 30 10 IKEE CCc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(OC)c2OC(C)C)cc1 21235923 FUBYPZMTKFZBPO-FPOVZHCZSA-N 433.548 5.049 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCc3ccc(Cl)c(Cl)c3)ccc2C1=O 39754137 FMUMUZCZGQRNRX-FMCGGJTJSA-N 441.310 6.587 30 10 IKEE COc1ccc(/C(C)=C2\S/C(=N/c3nnc(C)s3)N(C3CCCCC3)C2=O)cc1 39866575 ANKYNEYKJQRDLD-VJGKAAADSA-N 428.583 5.182 30 10 IKEE C=CCOc1ccc([C@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCCCC)cc1 39910685 MCCORKNBHKXARF-QHCPKHFHSA-N 431.532 5.710 30 10 IKEE C=CCc1ccccc1OCCCCn1c(-c2ccc(OC)c(OC)c2)nc2ccccc21 40249884 SFNVPAAGYOLJTD-UHFFFAOYSA-N 442.559 6.308 30 10 IKEE CN1CCc2nc(SCC(=O)c3ccc(Cl)cc3)c(C#N)c(-c3ccccc3)c2C1 40570084 LLKBMCGOXJZESW-UHFFFAOYSA-N 433.964 5.237 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc(OC(=O)c3ccc(C(C)(C)C)cc3)c2C)C1=O 41288507 YDYGFUXYWMTOBX-STZFKDTASA-N 432.541 6.498 30 10 IKEE Cc1ccc(CSc2nc3ccc(/N=C/c4cc([N+](=O)[O-])ccc4O)cc3s2)c(C)c1 59505909 UOLRHMCQJQGSMV-WYMPLXKRSA-N 449.557 6.570 30 10 IKEE COc1cccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c1OC(C)C 59676441 GXTRZTBMIGSUOT-JVWAILMASA-N 448.588 6.426 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccccc2SCCC)nnc1-c1ccc(F)cc1 59795712 CXTSXJSOOICQBP-UHFFFAOYSA-N 442.585 5.503 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(ccc(O)c3CN(C)Cc3ccccc3)C2=O)cc1 62957658 OJNFHFYKKNDUJC-ONUIUJJFSA-N 442.559 5.487 30 10 IKEE C=CCOc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccc(Cl)cc2)cc1 64795587 IENQCVKPSKCBTJ-KRWDZBQOSA-N 439.920 5.806 30 10 IKEE C/C(=N\OC(=O)Nc1ccc(C)c(NC(=O)O/N=C(\C)c2ccccc2)c1)c1ccccc1 96572053 MGQARQKZPBWNEO-UOSOPFLXSA-N 444.491 5.940 30 10 IKEE N#Cc1cc2c(nc1SC/C=C\CSc1nc3c(cc1C#N)CCCC3)CCCC2 103405449 DLBYDFDYRBXKHX-WAYWQWQTSA-N 432.618 5.418 30 10 IKEE Cc1cc(C)cc(NS(=O)(=O)c2ccc(N/C=C3\C=C(Cl)C=C(Cl)C3=O)cc2)c1 135976252 XBNOUTRGIXOOHK-NTCAYCPXSA-N 449.359 5.228 30 10 IKEE COc1ccccc1-c1csc(N/N=C\c2ccc(OCCCc3ccccc3)cc2)n1 169940801 ABQRWJUJHWVAQK-IMRQLAEWSA-N 443.572 6.276 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccc2OC)c(C)c1 169941560 IRSWXSBFJPOFLY-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 169974797 HZXZQSKWNYUWRK-RUZDIDTESA-N 439.555 6.384 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2sccc2C)c1 170104950 OXGBQRGCVQXCGA-OAQYLSRUSA-N 449.528 5.165 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cc(C)c(OC)cc3C)=C(O)C(=O)N2C2CCCCC2)c1 170119453 VYBOPURNOLRNFO-DEOSSOPVSA-N 449.547 5.232 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccc(O)cc2)c1 170133342 OTILJWVILMXVHZ-XMMPIXPASA-N 443.499 5.272 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2cccc(C)c2)c1 170140067 VJUUYDOZGVWVBN-QHCPKHFHSA-N 431.463 5.316 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccc(C)c2)c1 170141572 PPOAYOQYYUSNTF-XMMPIXPASA-N 427.500 5.567 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2Cc2ccco2)c1 170143959 IRBDAJNWYBKRCJ-QHCPKHFHSA-N 431.488 5.154 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccnc2)cc1C(C)C 170188012 PNZZSMRIFGIOFV-DEOSSOPVSA-N 442.515 5.387 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccncc1)c1cccc(Cl)c1 170203717 CEYNPMURNFTYRL-IBGZPJMESA-N 425.271 5.171 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccccc2)cc1 170224817 VXRXFHWNVLHSCE-XMMPIXPASA-N 443.499 5.265 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 170236986 WESWUVSMZUOKSJ-HSZRJFAPSA-N 435.951 5.740 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(F)cc2)c1 170239030 PSZZMPQOMUEJGP-VOIUYBSRSA-N 443.474 5.240 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@@H]1c1ccccc1F 170252550 ISDHSDKREVBNQA-FQEVSTJZSA-N 431.891 5.256 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1c[nH]c2ccccc12 170255781 WPXHIQFRDDWOCU-QHCPKHFHSA-N 430.548 5.762 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1c[nH]c2ccccc12)c1cccc2ccccc12 170256452 FHOISUYFWNVIGQ-VWLOTQADSA-N 436.511 5.842 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccc(O)c2)cc1C 170258608 WZRNTBIVIOLOSY-XMMPIXPASA-N 443.499 5.191 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1ccc(CC)cc1 170268359 SUWALEPQAZXLFB-RUZDIDTESA-N 447.619 6.623 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)=C(O)C(=O)N1c1ccccc1 170272264 XYZZVHWIYLESHD-MZNJEOGPSA-N 425.484 5.101 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)c(C)c2)[C@@H]1c1ccccc1C 170277502 JEMNVPGFOTXAKK-DEOSSOPVSA-N 435.564 5.861 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccco2)cc1C 170282090 KTVRUZDFCXRTIP-NRFANRHFSA-N 439.414 5.048 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC(C)C)cc3)[C@H]2c2ccco2)c1 170282702 CLNDKJDJIRRNAZ-XMMPIXPASA-N 445.515 5.714 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccco2)c1C 170285869 ZKHBVZKANHRLOQ-QHCPKHFHSA-N 431.488 5.467 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccco2)cc1C 170289515 RVRIFSYGEFRPHH-DEOSSOPVSA-N 445.515 5.777 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccc(C)o2)cc1C 170301175 VJGGCZWOPPDYMQ-QHCPKHFHSA-N 447.487 5.174 30 10 IKEE CCCCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(CC)cc2)cc1 170391881 RPDNCRVIEQZWGE-XMMPIXPASA-N 429.516 5.968 30 10 IKEE Cn1cc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Cl)cc2)c2ccccc21 170395620 CAJXCYKJBMIWBN-QHCPKHFHSA-N 442.902 5.615 30 10 IKEE Cc1cccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2Cc2ccc(C(=O)OC(C)C)cc2)c1 170459123 JJFNGKFBZBSENE-DEOSSOPVSA-N 449.547 5.071 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]1c1ccc(C(C)(C)C)cc1 170468614 IZISJCKTHPOFGM-QHCPKHFHSA-N 439.983 6.461 30 10 IKEE CCCCC1CCC(C(=O)Nc2c(C#N)cnn2-c2cc(C)c3cccc(OC)c3n2)CC1 170509549 WGGZPXMARYZVST-UHFFFAOYSA-N 445.567 5.544 30 10 IKEE N#Cc1cc(Br)ccc1Nc1ccc(Cl)cc1I 232245139 MKOWDRXWDZJBGC-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE CCCCCCCCOc1ccc(C(=O)Oc2ccc(C(CCCC)=NO)cc2)cc1 254478556 CHYHMZBUHUCALD-UHFFFAOYSA-N 425.569 7.014 30 10 IKEE Cc1ccc(C(=O)Nc2sc(NN=Cc3ccc(O)cc3)nc2-c2ccc(C)cc2)cc1 254489733 IXWWPOFRVMUHEY-UHFFFAOYSA-N 442.544 5.831 30 10 IKEE COc1cccc(-c2n[nH]c(=S)n2N=Cc2ccc(OC)c(OCc3ccccc3)c2)c1 254608125 OPSVHBBQKMNGIE-UHFFFAOYSA-N 446.532 5.086 30 10 IKEE C=C(CC[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@H]3CC[C@]12C 257445884 ILQUAQTXYDCHSY-FPNXYFLSSA-N 442.728 7.546 30 10 IKEE CCCCCCCCC(=O)Nc1ccc(I)c(Br)c1 302334608 GSKXTLDSMBNBRY-UHFFFAOYSA-N 438.147 5.743 30 10 IKEE Cc1nc(Nc2cc(I)ccc2Br)c(Cl)cc1C#N 311908543 DUSJAALRXBZQLG-UHFFFAOYSA-N 448.489 5.026 30 10 IKEE Cc1ccc(SC2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cccc(Cl)c3)C2=O)cc1 526661574 QIIZLMJPMZYNRT-UHFFFAOYSA-N 445.931 5.509 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1/N=C\c1ccc(OC)c(OCCC)c1 526800659 VTMANHLWCHPSRD-UQQQWYQISA-N 438.597 5.593 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(CCCC#N)c2cccc3ccccc23)cc1 586233010 HXLKNWZSKJLGNR-UHFFFAOYSA-N 434.605 6.462 30 10 IKEE CC(C)c1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)cc1 698443569 KCCZPKRAFBQVQD-FQEVSTJZSA-N 429.358 6.579 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@](C)(C#N)c1cc(Br)ccc1F 698873398 JQFSYLQENNZAHF-NRFANRHFSA-N 439.369 6.287 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@@]1(C#N)CCc2cc(Br)ccc21 698885956 BTZJHUJHXBQZGP-OAQYLSRUSA-N 431.305 5.695 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCN(C(=O)OC(C)(C)C)[C@H]2C)cc1 698886923 GCAUAWUWVSSUDA-MHECFPHRSA-N 429.561 5.418 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 724029070 PDFUZEWBXRNGGT-HXOBKFHXSA-N 449.979 5.811 30 10 IKEE O=C(/C=C/c1c(Cl)nc(Cl)n1-c1ccccc1)c1ccc(C(F)(F)F)nc1O 731562375 AXDAHRYEEMHTLX-BQYQJAHWSA-N 428.197 5.195 30 10 IKEE Cc1cc(/C=C\C(=O)c2ccc(C(F)(F)F)nc2O)cc(C)c1OCc1ccccn1 731564660 ODXIXMFFYQASQM-VURMDHGXSA-N 428.410 5.293 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(Br)c(Cl)s1 829346668 FPDVNLWZGWEMAW-CQSZACIVSA-N 441.778 6.479 30 10 IKEE O=C(CSc1nc2ccc(N=Cc3ccc(Br)cc3)cc2s1)NC1CC1 1084600571 LBLRSWWRTHKONI-UHFFFAOYSA-N 446.395 5.180 30 10 IKEE COc1ccc(/C=N/N=C2/S/C(=C/C=C/c3ccccc3)C(=O)N2Cc2ccco2)cc1 1615300740 KUPJGBXNIUANKL-FDVPDQFFSA-N 443.528 5.351 30 10 IKEE CC1(C)[C@@H](C(=O)/C=C/c2ccc(OC(F)(F)C(F)F)cc2)[C@@H]1/C=C(/Cl)C(F)(F)F 1616046848 RAEFVZKWZMVWIK-BMCWSQKOSA-N 444.774 6.463 30 10 IKEE C[C@H](C[C@H](O)[C@@H]1OC1(C)C)C1=C2C[C@H](O)[C@H]3[C@](C)(CC[C@H]4CC(=O)CC[C@]43C)[C@]2(C)CC1 1772502549 XOWUWSRAQZUPJP-PSDSRDFCSA-N 444.656 5.204 30 10 IKEE CCN(Cc1ccccc1)C(=O)Oc1cccc2c(NC(=O)c3cccc(C#N)c3)cccc12 1858954020 DIFCWYWXDDOXJP-UHFFFAOYSA-N 449.510 5.985 30 10 IKEE CC(C)(C)c1csc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1C#N 1860629465 NPGPRBMQVTVCIJ-UHFFFAOYSA-N 429.973 5.062 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](C)NC(=O)/C=C/c1ccc(Cl)c(Cl)c1 1861567832 KZYGOKDEOSUFPA-ABDJAZHISA-N 427.416 5.768 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)CCCOc1ccccc1Cl 1861705481 FNJDVBDRXWOWCR-NRFANRHFSA-N 439.040 5.651 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](C)NC(=O)CCCOc1ccc(Cl)cc1 1861712986 WSGWOYKFPWZATI-IBGZPJMESA-N 425.013 5.261 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 1861821524 NXWKLCKRXFIFOT-SFHVURJKSA-N 425.957 5.014 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2cccc(O)c2)cc1 1862390173 XBWUJWUQWCAZHC-XYURVEJXSA-N 447.575 5.892 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 1862395328 XNJUXZCFTQUJEU-NRFANRHFSA-N 446.374 6.324 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCCc2ccccc2)c1 1862411246 CJQCQJIWPQXNRO-DEOSSOPVSA-N 447.481 5.484 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@@H]2c2ccc(O)cc2)cc1 1862430641 OLHGSIULTJBCBH-QFIPXVFZSA-N 433.891 5.133 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccccc2F)cc1 1862501737 JCJODEHHOVWVNK-QHCPKHFHSA-N 433.454 5.360 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc(Cl)cc2Cl)ccc1F 1862509066 WKXMDNKXZHTWFI-IBGZPJMESA-N 436.310 5.675 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2cccc(Cl)c2)cc1 1862515670 DPKZLRIGMQEJMZ-QFIPXVFZSA-N 441.955 5.753 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C2CCCCC2)cc1 1862560354 DHDKJRBOFLHOSS-HSZRJFAPSA-N 432.564 5.477 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2cccc(Cl)c2)c1 1862592160 WODKVNNIKSBNHD-JOCHJYFZSA-N 433.891 5.133 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1cccc(C)c1 1862613027 DDKGVZWZQUYTIR-XMMPIXPASA-N 433.592 6.451 30 10 IKEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccc1Cl 1862651810 BIUDZICPNHMZOD-HSZRJFAPSA-N 448.950 5.023 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@@H]2c2ccccc2C)c1 1862699604 WWVKAVULAOPBPM-RUZDIDTESA-N 441.527 5.133 30 10 IKEE Cc1ccc(NC2=C(c3ccc(F)c(C)c3)C(=O)N(c3ccccc3C#N)C2=O)cc1C 1863100344 JDAWQUIETPGNPG-UHFFFAOYSA-N 425.463 5.019 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(OCc3ccccc3)cc2)=C(c2ccc(Cl)cc2)C1=O 1863170502 RJDOZEGMFPZKOJ-UHFFFAOYSA-N 444.918 5.297 30 10 IKEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2CCC)[C@H]1c1cccs1 1864493865 BJANLHQQFYZLCG-HXUWFJFHSA-N 444.645 5.088 30 10 IKEE Cc1cccc(-c2ccc3[nH]cc(C(=O)Nc4sc5c(c4C#N)CCCC5)c(=O)c3c2)c1 1866475308 VPLZOUQBNACFLP-UHFFFAOYSA-N 439.540 5.568 30 10 IKEE CC[C@@](C)(NC(=O)c1cccc(Oc2ccccc2)c1)C(=O)N[C@H](C#N)c1ccc(C)cc1 1867702494 ZGGPKKSIXBVGOZ-SHQCIBLASA-N 441.531 5.067 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N2C[C@@H](C)C[C@H](C)C2)nn1-c1ccc(C)cc1 1870009634 MACGRCMZMKBYCX-SFTDATJTSA-N 425.621 5.747 30 10 IKEE N#Cc1ccc(COc2cn(Cc3ccncc3)c(CSc3ccccc3)cc2=O)cc1 1870233586 WRFLHDYPIAWLGQ-UHFFFAOYSA-N 439.540 5.035 30 10 IKEE C=CCn1cc(OCCOc2ccc(C(C)(C)C)cc2)c(=O)cc1CN1CCC[C@H](C)C1 1870591536 CATFIZVYDPCXEN-NRFANRHFSA-N 438.612 5.022 30 10 IKEE C=CCOc1cn(CCCCC)c(CNc2ccc(Cl)c(C(F)(F)F)c2)cc1=O 1870811031 CXQLCCYBZJWRRI-UHFFFAOYSA-N 428.882 5.888 30 10 IKEE C#CCOc1cn(CCCCCCCCCC)c(CNc2cccc([N+](=O)[O-])c2)cc1=O 1871006198 UHWOGGDMTXLFJJ-UHFFFAOYSA-N 439.556 5.521 30 10 IKEE CCCCC[C@H](CC)N1COc2ccc3c(c2C1)O/C(=C\c1ccc2c(c1)OCO2)C3=O 1871347566 IFEYUPOPNJJDJH-DNNAEVNTSA-N 435.520 5.542 30 10 IKEE CCN(CC)CCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(C(C)C)cc1)C3=O 1871349517 QBOMZRVUKSHSAW-XYGWBWBKSA-N 434.580 5.310 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc(OC(=O)COc4ccc(C)cc4)c3C)C2=O)cc1 1871369674 DBKMGHJXKHNTIN-IWIPYMOSSA-N 444.483 5.303 30 10 IKEE Cc1cc(OC(=O)c2cc(Cl)ccc2Cl)cc2c1C(=O)/C(=C/c1ccccc1F)O2 1871381184 MJCBSFFOSPJPHF-UKWGHVSLSA-N 443.257 6.276 30 10 IKEE COc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4)cc(C)c3C2=O)cc1 1871404050 HQXFISWSPDAHRE-PGECNJAHSA-N 429.472 5.026 30 10 IKEE COc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1sccc1C)C2=O 1871412177 VWXCGIZBAOYEEK-JHDSZEHQSA-N 449.528 5.396 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O 1871413632 LULFLYUDQUFVGO-HNEZCVDCSA-N 433.891 5.671 30 10 IKEE CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)c1 1871426127 MADNKEOXKHWXKA-VJLQILQTSA-N 445.446 5.051 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(C)c(C)c1)[C@@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1871910897 MGIBKVALMAFIIC-UUOWRZLLSA-N 442.625 5.150 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(Cc2ccccc2)cc1)S(=O)(=O)CCC 1872281407 LHGXPMUCESLQFQ-XMMPIXPASA-N 442.625 5.003 30 10 IKEE Cc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1C 1872759117 DZQLVDDHCMQXGN-XMMPIXPASA-N 438.552 6.349 30 10 IKEE COc1cccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(Br)cc3)n2)c1 1872761856 XGNPQSZJMPFPNU-KRWDZBQOSA-N 427.323 5.000 30 10 IKEE COc1cccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccc(Cl)cc3)n2)c1 1872762393 LKQKITFGFGKMNV-LJQANCHMSA-N 426.925 5.508 30 10 IKEE N#C[C@@H](C(=O)c1cc(Cl)ccc1Cl)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872762785 WPMNBTVPUBBKLM-ZDUSSCGKSA-N 442.154 6.914 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)[C@H](C#N)c1nc(-c2ccc(F)c(C)c2)cs1 1872771778 BSIGEKXSOAVRMK-LBPRGKRZSA-N 435.307 6.063 30 10 IKEE Cc1ccc(C)c(-c2csc([C@H](C#N)C(=O)c3ccccc3C(=O)c3ccccc3)n2)c1 1872772122 KKYQFCOLMBYYCG-HSZRJFAPSA-N 436.536 6.148 30 10 IKEE CC(C)(C)c1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-c4ccccc4)cc3)n2)cc1 1872773606 RQTDXDOPJRNXSC-XMMPIXPASA-N 436.580 7.265 30 10 IKEE N#Cc1cccc(NC(=O)c2ccc3nc(Cc4ccc(Br)cc4)[nH]c3c2)c1 1872805017 VOAHIUHWFFSMNV-UHFFFAOYSA-N 431.293 5.040 30 10 IKEE CCCCCCCCCCN1C(=O)C(O)=C(c2ccc(OCc3ccccc3)cc2)C1=O 1872957420 XEJAGXVALOPKDK-UHFFFAOYSA-N 435.564 6.044 30 10 IKEE CCCCCCCCCCNC1=C(c2cccnc2)C(=O)N([C@H]2CCCC[C@@H]2C)C1=O 1873076903 ITDNYIAYDWMOPU-UNMCSNQZSA-N 425.617 5.471 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC2CCCCC2)=C(c2cc(C)ccc2C)C1=O 1873150288 NJAHLZTWVQIQOL-UHFFFAOYSA-N 438.656 6.446 30 10 IKEE CCCCCCCCN1C(=O)C(NCCC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164687 NIRUVCKQKIPJAD-UHFFFAOYSA-N 435.612 5.534 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2OC)=C(c2cccc(OC)c2)C1=O 1873218559 UDCPRJYTPKMZJK-UHFFFAOYSA-N 436.552 5.256 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1cccs1 1874213029 QVGSFTPFGVLPKH-LPYMAVHISA-N 433.002 5.555 30 10 IKEE CCOc1ccc(Cc2nnc(SCC)n2/N=C/c2c(OC)ccc3ccccc23)cc1 1874302785 PVEKRDTVURBHFH-YZSQISJMSA-N 446.576 5.424 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3cccc(C)c3)nnc2[C@@H](C)c2ccccc2)c1 1874394539 OVEHLLYCYULNOJ-XLKFHUSGSA-N 426.589 6.221 30 10 IKEE CC(C)COC(=O)CSc1nnc(CC2CCCCC2)n1/N=C/c1ccccc1Cl 1874408837 RRWPFBRMHFYMMK-ZMOGYAJESA-N 449.020 5.228 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccccc3)n2/N=C/c2ccc(F)cc2F)c1 1874428565 PBDBFOACMRISQM-MZJWZYIUSA-N 434.515 6.015 30 10 IKEE CCCSc1nnc([C@@H]2CCCO2)n1/N=C/c1ccc(OCc2ccc(C)cc2)cc1 1874449859 NEUYVLNVIUZWMI-LWROZRRASA-N 436.581 5.401 30 10 IKEE Fc1ccccc1/C=N/n1c(SCc2c(F)cccc2Cl)nnc1C(F)(F)F 1874463319 CRKAPFXJVSHCGA-KTZMUZOWSA-N 432.805 5.403 30 10 IKEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccc(OCC)cc1 1874476975 CMHDAVQZWNYOMR-HZHRSRAPSA-N 439.541 5.102 30 10 IKEE CC(C)Cc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccccc1C(=O)O 1874490781 JWVKGLLZHILOBG-CVKSISIWSA-N 444.560 5.503 30 10 IKEE Oc1cccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C2CCC2)c1 1874496356 HXDRKVZNLYADBY-FOKLQQMPSA-N 433.364 5.733 30 10 IKEE CCN(Cc1ccccc1)c1ccc(/C=N/n2cnnc2SCCc2ccccc2)cc1 1874538423 DYXYGSSGDHZRDL-TURZUDJPSA-N 441.604 5.522 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(F)c(C)c2)c1OCC(=O)Nc1ccc(C)cc1 1874581291 GEJQMKBDQGHCOW-GXDHUFHOSA-N 433.479 5.365 30 10 IKEE O=C(/C=C/c1c(OCc2ccccc2Cl)ccc2ccccc12)c1ccc(F)c(F)c1 1874585298 REFGFGNBVVIVQI-ACCUITESSA-N 434.869 7.247 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)c1OCc1cccc(C)c1 1874586900 KLIRKQMQSWVLQN-ZHACJKMWSA-N 448.990 7.366 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccccc1OCc1cccc2ccccc12 1874589224 ADLXOWJRKXNYDW-CCEZHUSRSA-N 442.942 7.285 30 10 IKEE CCCOc1c(Br)cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc1OCC 1874606827 IUDGYKLICSWQSC-VQHVLOKHSA-N 433.342 5.850 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 1874616588 JKZOHVWCDSECQQ-NTUHNPAUSA-N 441.354 7.257 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1)c1ccc(F)cc1 1874625150 OEVNWGCNHAGXSX-XLUWADSXSA-N 435.709 7.261 30 10 IKEE CCCOC(=O)COc1c(Cl)cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc1OC 1874636790 SJEUXEQKLRTTKD-BQYQJAHWSA-N 446.927 5.202 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cccc(OC(=O)COc2c(C)ccc(C)c2C)c1 1874698793 OJKSGLWSOOODDV-CCEZHUSRSA-N 430.500 5.501 30 10 IKEE COc1ccc(CC(=O)Oc2cc(/C=C/C(=O)c3cccc(Cl)c3)ccc2OC)cc1 1874699500 YHPHELQUAFCJQX-XYOKQWHBSA-N 436.891 5.401 30 10 IKEE COc1ccc(CCC(=O)Oc2cc(/C=C/C(=O)c3ccc(F)cc3)ccc2OC)cc1 1874709567 HQNFMJWCELYRHA-LHHJGKSTSA-N 434.463 5.277 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3c(F)cccc3Cl)c(OC)c2)cc1 1875101041 HJSKJIROCPVMFF-UKTHLTGXSA-N 438.882 6.165 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)Oc3ccc(Cl)cc3)cc2)cc1 1875103473 AMZGDFONZNKRQX-SMHZUEHJSA-N 434.919 6.171 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OC(=O)c1c(F)cccc1Cl 1875110674 WKFRKFPMSWZHEA-PKNBQFBNSA-N 445.273 6.256 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC(=O)c1cc(C)cc(C)c1 1875122017 DXLIKTNJHMOLLK-WEVVVXLNSA-N 436.454 6.096 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2)cc1OC 1875123273 ZDEHKZITJOBUHJ-WLRTZDKTSA-N 436.891 5.401 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)C3CCCC3)cc2)cc1OCCC 1875124232 VNJBOCYBMBEWMN-RVDMUPIBSA-N 436.548 6.256 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2OC)cc1 1875136287 HWTCZTQYKSIOPU-MHWRWJLKSA-N 444.527 5.837 30 10 IKEE CCCCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OC 1875142382 ZEPKFXZIEMTKEM-JXMROGBWSA-N 449.316 5.897 30 10 IKEE CCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC 1875162427 CUXIEZIGDZVJPD-MDZDMXLPSA-N 426.509 5.356 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3cccnc3)c(Cl)c2)cc1C(C)C 1875163104 WCBMGCWWYUESPL-VQHVLOKHSA-N 449.934 6.291 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1C 1875168902 ZSDOLYXTMHHRBH-JLHYYAGUSA-N 429.472 5.944 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2ccc(F)cc2)cc1 1875179251 FKYLLQQABZVKFF-KPKJPENVSA-N 438.882 5.840 30 10 IKEE Cc1ccc(NC(=O)C2CCN(c3oc(-c4cccs4)nc3C#N)CC2)c(Cl)c1 1890477631 GJDPWDGQBWQIQM-UHFFFAOYSA-N 426.929 5.092 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@H]1Nc1ccc(C#N)cc1Br 1924913918 MPEDLLLYNTVCBD-YJBOKZPZSA-N 434.378 5.206 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1929535719 RLADQCKNULZYRB-CYFREDJKSA-N 429.561 5.153 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)C1CCN(C(=O)OC(C)(C)C)CC1 1944711998 FNWNLSSCCZKPIV-FQEVSTJZSA-N 429.561 5.276 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)[C@@H]1C(C)(C)C 2020136261 JXKLODNLMZPVIT-UUOWRZLLSA-N 435.609 5.484 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCC2)C(F)(F)CC1 2020298717 VRQJLLHPHNTWEF-OAQYLSRUSA-N 443.535 5.095 30 10 IKEE C=CCCCCCC[C@@H](CCCN(Cc1ccccc1)C(=O)OC(C)(C)C)NCCC 2026003699 QTOSCXXYKBUKFX-VWLOTQADSA-N 430.677 7.099 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CN(C(=O)OC(C)(C)C)C3(CCC3)C2)cc1 2038096783 OEDJEOPTIHLYTP-VWLOTQADSA-N 441.572 5.562 30 10 IKEE C=CCN(CC[C@@H](Cc1cccc(Br)c1Cl)NC)C(=O)OC(C)(C)C 2047965348 OPFOJCVSKXRLBV-HNNXBMFYSA-N 431.802 5.046 30 10 IKEE N#C[C@H](c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)N1CCCCCC1 2071352958 CONYMHKCESHCQK-AREMUKBSSA-N 426.560 6.285 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NC)c2ccc(Br)c(Cl)c2F)C1 2077084236 VCVXZHJRFATSTH-OAHLLOKOSA-N 433.749 5.116 30 10 IKEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Cl)cc1Br 2077804734 DCDNRLGWDHKHFP-IAGOWNOFSA-N 429.786 5.060 30 10 IKEE CC1([C@@H](c2ccc(C(F)(F)F)cc2F)n2nc(C(F)(F)F)c(C(N)=O)c2Cl)CC1 2079971839 MLGWRVYITNWGKW-GFCCVEGCSA-N 443.750 5.202 30 10 IKEE CC[C@H](c1c(C)cc(C)cc1C)n1nc(C2CC2)c(C=NO)c1I 2080012188 LPOUFKVALOMSDF-MRXNPFEDSA-N 437.325 5.098 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]([C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)C1 2082159362 AWXLDHMPKHKBMG-HOZJOUCCSA-N 447.551 5.543 30 10 IKEE CC1(C)CC2(CC([C@@H](C#N)N(C(=O)OC(C)(C)C)c3cccc(Br)c3)C2)C1 2158847401 URQZDIKCHRQDSL-GOSISDBHSA-N 433.390 6.299 30 10 IKEE CN(CCc1ccc(Nc2cccc(Br)c2C#N)cc1)C(=O)OC(C)(C)C 2162300609 HUTQYHKWQAJJJD-UHFFFAOYSA-N 430.346 5.474 30 10 IKEE CC1(C)CC[C@H](Nc2cccc(Br)c2C#N)[C@@H](CNC(=O)OC(C)(C)C)C1 2162313842 YVLRELBVAGPNRP-PBHICJAKSA-N 436.394 5.452 30 10 IKEE CCCN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cc(Br)ccc1C#N 2174810720 PMKCUUZQBGBODB-UHFFFAOYSA-N 436.394 5.184 30 10 IKEE CCCN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(C#N)c(Br)c1 2174813907 BGQKAQRDSOAYEF-INIZCTEOSA-N 436.394 5.184 30 10 IKEE C=CCC1([C@H](NCCC)c2cc(Br)ccc2C)CN(C(=O)OC(C)(C)C)C1 2202474060 IHKRWRCDUTXRFK-LJQANCHMSA-N 437.422 5.611 30 10 IKEE C=CCCCCCCC[C@@H](N)c1cc(I)ccc1Br 2227277244 XKGPNWLSCVZSQB-MRXNPFEDSA-N 436.175 5.970 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Br)c([C@H](O)C#Cc2ccc(Cl)cc2)c1 2230986889 OAKSJJZOALHFAT-GOSISDBHSA-N 436.733 5.535 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C=CC(=O)c2cc(Cl)c(Cl)c(Cl)c2)cc1 2232510242 GPCIBCUEMXTTHW-UHFFFAOYSA-N 426.727 6.890 30 10 IKEE CC(C)(C)OC(=O)NC1(CC[C@H](O)C#Cc2ccccc2Br)CCCCC1 2235739777 KBZXYJYRDVOVKQ-GOSISDBHSA-N 436.390 5.169 30 10 IKEE C=CC1(C[C@H](NC)[C@H](Cc2ccc(Br)cc2)NC(=O)OC(C)(C)C)CCC1 2237397408 CAUMWBNINOQXQS-OALUTQOASA-N 437.422 5.219 30 10 IKEE CCN[C@H](C#Cc1cccc(Cl)c1)c1cc(Br)c(Br)s1 2239560837 GDGPOMKIQLNKBO-CYBMUJFWSA-N 433.596 5.629 30 10 IKEE C=CCCC1([C@H](N)c2sc(C)c(C)c2Br)CN(C(=O)OC(C)(C)C)C1 2255003988 OLRAROJTJHTHGM-MRXNPFEDSA-N 429.424 5.331 30 10 IKEE CCN[C@@H](CC=CC#CC(C)(C)C)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256732805 HBLSWFLVMCRASM-BJKOFHAPSA-N 442.644 5.461 30 10 IKEE Cc1c(Br)sc([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)c1C 2265882351 POWWBKNRQSKMLR-MRXNPFEDSA-N 441.435 6.652 30 10 IKEE C=CCCC1([C@H](O)Cc2ccc(Cl)c(Br)c2)CN(C(=O)OC(C)(C)C)C1 2266200868 FYLJVQZHGRJUOB-QGZVFWFLSA-N 444.797 5.209 30 10 IKEE C=CCSc1ccccc1N[C@H](C)c1cc(Br)c(Br)s1 2281269750 CSFABHUKYIRCGO-SNVBAGLBSA-N 433.234 6.724 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc(-c2ccccc2)cc1 2314429416 GVIVRIRWWBQWKV-UHFFFAOYSA-N 449.462 6.377 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1cccc(Br)c1)C2=O)c1ccccc1 2314437841 XYRVMLJSTKBQDN-UHFFFAOYSA-N 435.273 5.327 30 10 IKEE CC[C@]1(C)N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(C)cc1 2315231150 KHPACZINXCVBRU-DQEYMECFSA-N 443.588 5.808 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(OC(C)C)cc1 2318572037 YRTGVALJEKCPQC-UHFFFAOYSA-N 449.407 6.109 30 10 IKEE CN(C)c1ccc(C=C2Oc3c(ccc4c3CN(CCC3=CCCCC3)CO4)C2=O)cc1 2322106755 KNBDLAAGDQMSIX-UHFFFAOYSA-N 430.548 5.411 30 10 IKEE CCc1ccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3ccc(F)cc3)C4)C2=O)cc1 2322347452 ABIVRKWOLHRVRO-UHFFFAOYSA-N 429.491 5.665 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C)cc2C)c1OCC(=O)Nc1cccc(C)c1C 2322579880 RQWNZHBFOWLVEW-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccccc2OCc2c(Cl)cccc2Cl)cc1 2322605108 PXFHXBBZJWBKEK-UHFFFAOYSA-N 441.354 7.257 30 10 IKEE Cc1c(OC(=O)c2ccc(C(C)(C)C)cc2)ccc2c1OC(=Cc1cccc(F)c1)C2=O 2322736456 FMZXTFZSNSDOQL-UHFFFAOYSA-N 430.475 6.267 30 10 IKEE C=CCNC(=S)NN=Cc1ccc(OCCCCCCCCC)c(Br)c1 2323034313 JYHMRRQIKBIPQC-UHFFFAOYSA-N 440.451 5.563 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Br)c2)cc1OCc1ccccc1C 2323097833 MLLGEIXRIVJVTG-UHFFFAOYSA-N 437.333 6.241 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Cl)c1OCc1cccc(F)c1 2323767183 FNYLXWTZFXXPDS-UHFFFAOYSA-N 445.317 7.006 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OCC(=O)N(CC)CC 2324073571 JCZSVOLJFDDAHK-UHFFFAOYSA-N 437.580 5.526 30 10 IKEE COc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1OC 2324611703 OPMSLYKKZCPMQS-FQEVSTJZSA-N 446.572 6.014 30 10 IKEE Fc1ccccc1CSc1nnc(Cc2ccccc2)n1N=Cc1c[nH]c2ccccc12 2325481569 NZLRCIKJXVGAHX-UHFFFAOYSA-N 441.535 5.664 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(Cl)c(Cl)c3)c2)cc1 2325705463 LFWNBJKFNXZESG-UHFFFAOYSA-N 439.338 6.600 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc(OCC(=O)Nc3cccc(Cl)c3)c2C)C1=O 2325717263 ADNOJPQBMNXOBI-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2ccc(Cl)cc2)cc1OC(=O)C1CC1 2325729926 UICMRXCTDJHONE-UHFFFAOYSA-N 435.701 5.323 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OC(=O)c1ccc(C(C)(C)C)cc1 2325737761 SYDDVYVAGBVQAL-UHFFFAOYSA-N 428.528 6.416 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)COc3ccccc3)c2)cc1 2325738875 CHUFDEACJBTVNF-UHFFFAOYSA-N 446.499 5.365 30 10 IKEE COc1c(Cl)cc(C=Nn2c(C)nnc2SCc2ccccc2Cl)cc1Cl 2326545805 LMGFZWVKDBKXMH-UHFFFAOYSA-N 441.771 5.730 30 10 IKEE CCCCOc1cccc(C=Nn2c(CCC)nnc2SCc2ccc(C#N)cc2)c1 2326681288 PQHDCFRIJLYKAF-UHFFFAOYSA-N 433.581 5.456 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccccc3Cl)n2N=Cc2cccnc2)c1 2327622683 CPOWBDWXSSLKSP-UHFFFAOYSA-N 449.967 5.388 30 10 IKEE C=CCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1cc(Cl)ccc1O 2327768100 DOAMDAAEMGBZAA-UHFFFAOYSA-N 434.952 5.541 30 10 IKEE C=CCOc1ccccc1C=Nn1c(Cc2ccc(OCC)cc2)nnc1SCC(=C)C 2328567144 VPLDRJGGRHJQNE-UHFFFAOYSA-N 448.592 5.383 30 10 IKEE CCCSc1nnc(COc2cccc(C)c2C)n1N=Cc1ccc(C(C)(C)C)cc1 2328858155 UOPFNYXTOMNQQI-UHFFFAOYSA-N 436.625 6.156 30 10 IKEE Clc1cccc(CSc2nnc(CCOc3ccccc3)n2N=Cc2ccco2)c1 2329225217 GOORMLPBXVMSQE-UHFFFAOYSA-N 438.940 5.321 30 10 IKEE Cc1cccc(C=Nn2c(COCc3ccccc3)nnc2SCc2ccccc2)c1 2329341261 SHMYUBLIJBGYBR-UHFFFAOYSA-N 428.561 5.478 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2C)n1N=Cc1cccc(OCCC)c1 2329484488 LLWRMFMHFIPBFS-UHFFFAOYSA-N 434.609 5.711 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccccc3Cl)n2N=Cc2ccccc2C)c1 2329550991 MICPSMAHDQKKCN-UHFFFAOYSA-N 432.980 6.390 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccccc3)nnc2-c2ccccc2Cl)c1 2329573690 CWHOFVQVIZKMDP-UHFFFAOYSA-N 434.952 5.782 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3F)n2N=Cc2cccnc2)c1 2329743456 QCTUEKILCOJBAZ-UHFFFAOYSA-N 431.540 5.194 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cccs1 2329768735 IDXLTIJCSMUVQQ-UHFFFAOYSA-N 442.972 5.897 30 10 IKEE Clc1cccc(CSc2nnc(COc3ccccc3)n2N=Cc2ccccc2)c1 2329923190 CPVODTMOMJWYSX-UHFFFAOYSA-N 434.952 5.685 30 10 IKEE CCc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCc2cc(C)ccc2C)cc1 2330272943 WQJHJLUKLUYGLD-UHFFFAOYSA-N 446.664 6.755 30 10 IKEE CCCSc1nnc(-c2cccs2)n1N=Cc1cccc(OCc2ccccc2)c1 2330592900 NUNPROLQSJENAS-UHFFFAOYSA-N 434.590 5.970 30 10 IKEE Oc1cccc(C=Nn2c(SCc3cccc4ccccc34)nnc2-c2cccs2)c1 2330596365 UCJQIJBHAOOKQS-UHFFFAOYSA-N 442.569 6.040 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3cccc(OC)c3)cc2Cl)cc1 2330778252 JTZSASHMCRHUML-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)cc2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 2331021344 NDUFEPQEBKEDEI-UHFFFAOYSA-N 425.799 5.503 30 10 IKEE FC(F)(F)c1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1cccnc1 2331146210 FYSNLQWQEJMAEF-UHFFFAOYSA-N 432.258 5.173 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccccc3C)nnc2-c2ccco2)c1OC 2331174342 VGLCNNWPBGYMSG-UHFFFAOYSA-N 434.521 5.038 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H]3C[C@H]3c3ccccc3Cl)cc2)cc1 2331190132 KQPBCBPNHQKJQQ-ZEQRLZLVSA-N 446.930 6.344 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cccs3)c(Cl)c2)cc1 2331195237 XNOTUWXLNPXFEP-UHFFFAOYSA-N 426.921 5.844 30 10 IKEE CC(C)Cc1nnc(SCc2ccccc2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2331453385 NKDRPLAJSXYDQI-UHFFFAOYSA-N 429.933 5.213 30 10 IKEE O=C(COc1ccccc1)Oc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1Cl 2331558585 LBYSWWMEFBFTOQ-UHFFFAOYSA-N 428.818 5.499 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(-n4cccc4)cc3)cc2)c1C 2331644658 MSLJBVZRJJZDFN-UHFFFAOYSA-N 449.550 6.826 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Br)c1OC(=O)C1CC1 2331708353 FLSQVANDLAWBJB-UHFFFAOYSA-N 429.310 5.286 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2ccc(OC(=O)C(C)C)c(Cl)c2)cc1Cl 2331808427 OWVMPIHEFACTAY-UHFFFAOYSA-N 427.711 6.113 30 10 IKEE O=C(Cc1ccccc1)Oc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1Cl 2331860032 NZNSHYWOLGPNNO-UHFFFAOYSA-N 445.729 6.691 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2OC)ccc1OC(=O)c1cccc(F)c1 2331885045 GSCJGZCVVOINFJ-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE CC(C)c1ccc(Cn2nnc(C#N)c2NC(=O)C=Cc2ccc(Cl)c(Cl)c2)cc1 2332149000 VWGKXBKTNRXIQT-UHFFFAOYSA-N 440.334 5.280 30 10 IKEE CC1(C)OB(c2cc(Cl)cnc2Nc2cc(Cl)ccc2Br)OC1(C)C 2339392042 BPOQGJXGEIMHCB-UHFFFAOYSA-N 443.965 5.194 30 10 IKEE CCN[C@H](C#CC1(SC)CC1)c1cc(Cl)c(NC(=O)OC(C)(C)C)c(Cl)c1 2361363137 VAHMHJZATOIXRL-MRXNPFEDSA-N 429.413 5.890 30 10 IKEE CO[C@@H](C#C[C@@H](N)c1ccc(Br)cc1NC(=O)OC(C)(C)C)C1CCCC1 2369594472 RJTZIUHATYEMQZ-MJGOQNOKSA-N 437.378 5.005 30 10 IKEE N#CCCn1cc(C=NN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc21 3191226 ZDLNAQMHNJKJHW-UHFFFAOYSA-N 447.586 5.296 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 5926175 MRDQPAXUDZQJNI-VWLOTQADSA-N 441.527 5.992 30 10 IKEE Cc1ccc(C2=NN(c3ccc(/C=N/c4ccccc4C)cc3)[C@@H](c3ccccc3)C2)cc1 15772854 UOQSIVMPCHHJRA-SSQLPREDSA-N 429.567 7.410 30 10 IKEE O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1c(Cl)cccc1Cl)Nc1ccccc1N2 20881965 IVKUZMAZBFTXIQ-ZLOXQWCVSA-N 441.383 7.034 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccs2)cc1OC 20882016 YSLQKNSPWOPWCF-MRDQGFSESA-N 446.572 6.135 30 10 IKEE Cc1cc2nc(-c3cc(/N=C\c4cc(Cl)cc([N+](=O)[O-])c4O)ccc3O)oc2cc1C 21947042 NOGRRVMZQBZZHJ-VROXFSQNSA-N 437.839 5.835 30 10 IKEE CCOc1cc(/C=C\C(=O)Oc2cccc(C#N)c2)ccc1OCCOc1ccc(F)cc1 33481762 MBUTYJJZRUZUQA-QPEQYQDCSA-N 447.462 5.173 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)C)cc2)cc1 35272740 FMVMDSPMJIGIOI-XMMPIXPASA-N 445.515 5.580 30 10 IKEE C/C=C/Oc1ccc(C(=O)/C(=C\c2ccc(OC)c(OC)c2)c2nc3ccccc3o2)cc1 35297338 CMVDREQNMYIPNJ-BSCQAZNSSA-N 441.483 6.181 30 10 IKEE C=CCOc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2nccs2)cc1 35513001 DAFHVONEIIDCEV-OAQYLSRUSA-N 444.512 5.181 30 10 IKEE C=CCNC(=O)Cc1cccc(N(Cc2ccc(F)cc2)C(=O)c2ccc(Cl)cc2)c1 37601102 WQKUKRHNYWUTDS-UHFFFAOYSA-N 436.914 5.171 30 10 IKEE C=CCN1C(=O)c2[nH]nc(-c3c(C)cc(C)cc3O)c2[C@H]1c1cccc(OCCCC)c1 38705619 AEWJLHAKIQQDCT-RUZDIDTESA-N 431.536 5.309 30 10 IKEE C=CCOc1ccc(/C=C2\S/C(=N/c3cccnc3Cl)N(c3ccccc3)C2=O)cc1 39864057 OEZGSSVGOSZJKY-GPPFYFJFSA-N 447.947 6.108 30 10 IKEE Cc1cc(O)c(CN2CCCCC2)c2c1C(=O)/C(=C/c1ccc(-c3ccccc3)cc1)O2 41510971 UUJIAQDMKMHKQU-UQQQWYQISA-N 425.528 5.970 30 10 IKEE C=CCn1c(SCCC(=O)Nc2ccc(C(F)(F)F)cc2)nnc1-c1ccccc1 59776477 QATJOJSASISECW-UHFFFAOYSA-N 432.471 5.271 30 10 IKEE C=C(C)COc1cccc(NCC(=O)Nc2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)c1 66063162 XCKJJFMHOHTOTF-HXUWFJFHSA-N 443.547 5.183 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)NCc1ccc(OC(C)C)cc1 100444362 QRPIIJJMHAEZBC-UHFFFAOYSA-N 434.690 6.666 30 10 IKEE CCCCCCCCCn1c(CCNC(=O)Cc2ccc(Cl)cc2)nc2ccccc21 102143316 OFRINQOCOJTPLU-UHFFFAOYSA-N 440.031 6.342 30 10 IKEE COc1cccc(/C=N\Nc2nc(-c3cccs3)c(C)s2)c1OCc1ccccc1 169941928 NSWUGHSESCDUBT-OYKKKHCWSA-N 435.574 6.214 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2OC)[C@@H]1c1ccc(OC(C)C)cc1 169978668 QSPPTSHDUKTTJG-QHCPKHFHSA-N 437.536 5.251 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@@H]2c2ccccn2)ccc1F 169993184 LOEYFUYTMOJUFV-HXUWFJFHSA-N 440.833 5.105 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2ccncc2)cc1 170019484 POANRJXITWOEBB-JOCHJYFZSA-N 448.906 5.225 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2C)c1 170037415 YIRFOQACJTWEAZ-HSZRJFAPSA-N 431.463 5.316 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccccc2C)c1 170088222 JABURAQBTWWORR-QFIPXVFZSA-N 435.426 5.065 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2sccc2C)cc1 170105536 RQEFGHDIFGUETE-IBGZPJMESA-N 441.455 5.126 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(O)cc1)c1cccc2ccccc12 170135613 GNBFDGGSVHYNKJ-XMMPIXPASA-N 427.500 5.456 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2cccs2)c1 170155283 VKZWPCJVEPQJTM-OAQYLSRUSA-N 437.492 5.457 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccs2)cc1 170161157 XCVGGLXQISIVPM-JOCHJYFZSA-N 444.512 5.191 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccncc2)c1 170205162 VKMQKNOEHPTLDE-XMMPIXPASA-N 436.467 5.032 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1ccncc1)c1ccc2c(c1)CCCC2 170206606 PIIKWUWMTADKPJ-QHCPKHFHSA-N 446.453 5.022 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@H]2c2ccccc2)cc1C 170224410 CJLFHGXAFSSTKB-VWLOTQADSA-N 441.527 5.739 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1ccccc1)c1cc2ccccc2o1 170229117 ADUNLMRRQSXSHF-QFIPXVFZSA-N 431.394 5.494 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2ccc(C#N)cc2)o1 170305175 RPWXAKZMPZBJGE-DEOSSOPVSA-N 434.451 5.396 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2cccc(Cl)c2)cc1 170361863 JAZGJCMKIGFLDA-HSZRJFAPSA-N 447.918 5.830 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2c[nH]c3ccccc23)cc1 170384017 TVWWWPBJYJSVKA-JOCHJYFZSA-N 444.512 5.411 30 10 IKEE CCN(CC)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccc(O)c2)cc1 170384957 AFBBEPFEUNSJHG-DEOSSOPVSA-N 442.515 5.021 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(C(C)(C)C)cc1 170468792 BNJZYRWHBLCUFX-QFIPXVFZSA-N 449.934 6.322 30 10 IKEE CC(C)Oc1ccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(N(C)C)cc2)cc1 170472806 DLPBCGLXTHPFDD-JOCHJYFZSA-N 436.552 5.055 30 10 IKEE Oc1ccccc1C=Nc1ccc(OCC(F)(F)C(F)F)c(N=Cc2ccccc2O)c1 254592274 DDSPTHDSXRVZRM-UHFFFAOYSA-N 446.400 5.878 30 10 IKEE COc1ccccc1N=C1SCCCN1C(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 254750972 WJQBTRQHJWKXAD-MRXNPFEDSA-N 433.577 5.568 30 10 IKEE CC(C)Oc1cccc(-c2n[nH]c(=S)n2N=Cc2ccc(OCc3ccccc3)cc2)c1 263590523 RCNXCFORKZLNFB-UHFFFAOYSA-N 444.560 5.856 30 10 IKEE Cc1ccc(S(=O)(=O)O[C@H]2C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]2O)cc1 263631351 BKOGUJNRCSWUNA-NESZIOSOSA-N 446.653 5.473 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[C@H]1Nc1ccc(C#N)cc1Br 312142486 DDJHZUILFCPVCQ-KVSKMBFKSA-N 434.378 5.301 30 10 IKEE CCCCCCCC[C@H](NCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 406748113 JZNARRJLRQHGPC-FQEVSTJZSA-N 441.454 7.197 30 10 IKEE CC(C)COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccc(F)c2)cc1 526487895 HABFLXNMRSOCGB-VWLOTQADSA-N 442.490 5.789 30 10 IKEE Cc1ccc([C@@H]2C(c3cccc(OCC(C)C)c3)=C(O)C(=O)N2c2cccc(C#N)c2)o1 526516892 PMEXNXHRMDFCMC-XMMPIXPASA-N 428.488 5.552 30 10 IKEE CCCCCOc1ccc(/C=N\n2c(C)nnc2SCc2ccccc2)cc1OCC 526799385 HXBWELZEEYVCJM-UQQQWYQISA-N 438.597 5.729 30 10 IKEE CCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1cccc(OC(C)C)c1 526805021 CKNMNTMGOKGSOX-QQXSKIMKSA-N 436.625 6.100 30 10 IKEE CCCCc1ccc(N(C(=O)c2cccc(C#N)c2)S(=O)(=O)c2ccc(CC)cc2)cc1 586262399 BTVVSGSAZRIVPM-UHFFFAOYSA-N 446.572 5.499 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2ccc(OCc3ccccc3)cc2)c1 698417788 KGEGVNPFZIXQSS-RUZDIDTESA-N 428.532 6.580 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@](C)(C#N)Cc1ccccc1F 698460801 WQABRGPRFMPQAG-OAQYLSRUSA-N 433.321 5.855 30 10 IKEE CC[C@](C#N)(Cc1ccccc1)N(C(=O)OC(C)(C)C)c1ccccc1Br 698483161 UOBQSKFGGQERFJ-JOCHJYFZSA-N 429.358 6.106 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@@H](C#N)c1c(Br)cncc1Br 698840996 PMFFGQPKGNKHKV-ZDUSSCGKSA-N 447.171 5.064 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 710715745 HKFXQAJDFWNCQH-MBSDFSHPSA-N 449.979 5.763 30 10 IKEE C=CCC1([C@H](NCC)c2cc(Br)ccc2F)CN(C(=O)OC(C)(C)C)C1 722918585 RGOYKRPOAAXWLB-QGZVFWFLSA-N 427.358 5.052 30 10 IKEE O=c1c2c3c(sc2ncn1N=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)CCCC3 1083974716 NYXJBSYAGBDYOP-UHFFFAOYSA-N 444.343 5.786 30 10 IKEE CC(C)(C)c1cc(C=NN(c2ccccc2)[C@H]2CCS(=O)(=O)C2)cc(C(C)(C)C)c1O 1088692704 JCTXRCPYKGJWCF-FQEVSTJZSA-N 442.625 5.015 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(-c3c(Cl)cccc3Cl)o2)SC1=Nc1cccnc1 1772730267 ASUBCVXITAFUDS-RQUXIJKASA-N 444.343 6.272 30 10 IKEE Fc1cc(-c2c(F)c(F)c(F)c(F)c2F)ncc1-c1c(F)c(F)c(F)c(F)c1F 1848358549 LBSSKZOFKQOKHZ-UHFFFAOYSA-N 429.188 5.946 30 10 IKEE CCCCCCCCCCNc1cc(N2CCC[C@H](C)C2)nc(-c2ccc(Cl)cc2)n1 1859793017 VQOJYFKZSHOBLU-NRFANRHFSA-N 443.079 7.586 30 10 IKEE CCCOC(=O)c1cccc(NC(=O)C(=O)/C=C/c2cccc(OCc3ccccc3)c2)c1 1860729910 SKPAHBMAGTVHPZ-CCEZHUSRSA-N 443.499 5.053 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)c1ccccc1C(F)(F)F)[C@H](C)CC 1861049524 XMILMOGZEIPNGM-WIYYLYMNSA-N 442.566 6.107 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 1862145515 DYCOAUJSFDOHQR-GCTXXEFPSA-N 448.582 5.065 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2c(Cl)cccc2Cl)cc1 1862393811 DNRCJJBPHDJVCH-OAQYLSRUSA-N 444.358 6.077 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2ccc(C(C)C)cc2)cc1 1862394156 CKCFCAUDZMNGHH-CLOONOSVSA-N 433.592 6.529 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccc(OCCC)cc2)cc1 1862397729 OITYKYRSTMFHMN-XMMPIXPASA-N 433.548 5.559 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1cc(Cl)cc(Cl)c1 1862415592 AYXCJCHUNIKHQR-KRWDZBQOSA-N 426.246 5.260 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(F)cc1F)c1ccccc1Cl 1862432957 QVPHRCXMBYQVGE-LJQANCHMSA-N 445.874 5.458 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccccc2Cl)c1 1862474828 WFWZDLUIWLYXKW-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C34CC5CC(CC(C5)C3)C4)[C@@H]2c2ccc(C)cc2)cc1 1862475519 OIJRHMIMWZTSJF-MMBGETBOSA-N 441.571 5.851 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 1862482415 QIIPMJDFCXBQAT-HXUWFJFHSA-N 441.405 5.385 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OCc2ccccc2C)cc1 1862485710 KOWDWSKRRUSMRW-RUZDIDTESA-N 441.527 5.481 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc2c(c1)OCCO2 1862619999 IGXSFBPPIGSKGA-QHCPKHFHSA-N 449.547 5.134 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccc(Cl)c2)cc1 1862660384 IIHWLQOFASRNHP-HSZRJFAPSA-N 446.934 5.637 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(C(C)C)cc2)=C(O)C(=O)N1Cc1cccnc1 1862660481 LYHCMFBNPUBJNP-XMMPIXPASA-N 426.516 5.292 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(F)cc1F 1862691173 IQWCTEUGMYUPQK-OAQYLSRUSA-N 429.463 5.132 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2cccc(C)c2)c1 1862698721 LVKXHFFPPRMPGN-UUOWRZLLSA-N 427.500 5.343 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccccc1F)c1ccc(-c2ccccc2)cc1 1862723725 FBKXBWPBJQOQBH-VWLOTQADSA-N 441.502 6.014 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1c(F)cccc1Cl 1862727671 JVESKWHPQFSAJM-QHCPKHFHSA-N 449.909 6.134 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(OCCC)c(OCCC)c2)=C(c2ccc(C)c(C)c2)C1=O 1863259513 HHOCNNNBOHZBOW-UHFFFAOYSA-N 448.563 5.259 30 10 IKEE C[C@@H](CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc(C#N)c1)c1ccc(Cl)cc1 1866717119 VMYLKEASKUYYGG-MHECFPHRSA-N 445.950 5.071 30 10 IKEE C[C@H]1CN(c2cc(Nc3ccccc3C#N)nc(-c3ccccc3Cl)n2)C(C)(C)CO1 1868419838 XJGOMDTUJFCBEX-INIZCTEOSA-N 433.943 5.416 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)C[C@@H](c1ccc(Cl)cc1)C(C)C)c1ccccc1 1868701477 DGDVIFRGYOJRBI-NOZRDPDXSA-N 438.999 5.528 30 10 IKEE Cc1ccccc1-c1ccc(-n2nnc(C#N)c2NC(=O)/C=C/c2ccc(C(C)C)cc2)cc1 1870140626 AZKJHTMJEBMDFJ-LICLKQGHSA-N 447.542 5.890 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2c(C)cc(C)cc2C)cn1Cc1ccco1 1870380222 YVVUXRKPZQYPRQ-UHFFFAOYSA-N 432.564 5.168 30 10 IKEE C=CCOc1cn(Cc2ccccc2Cl)c(CNc2ccc(CCCC)cc2)cc1=O 1870809948 DHGHFTKPKUQQLM-UHFFFAOYSA-N 436.983 6.070 30 10 IKEE CCCCCCCOc1cn(CCCCC)c(CNc2cccc([N+](=O)[O-])c2C)cc1=O 1870837491 JFGYVJUPLDQTAY-UHFFFAOYSA-N 443.588 6.216 30 10 IKEE C=CCn1cc(OCc2ccc(CC)cc2)c(=O)cc1CNc1ccc(C(F)(F)F)cc1 1870889964 JPDYHUZZUDGNQC-UHFFFAOYSA-N 442.481 5.807 30 10 IKEE C=CCn1cc(OCc2ccc(C(=O)OC(C)C)cc2)c(=O)cc1CNc1ccc(C)cc1 1871230855 QRQOGODKKDJRML-UHFFFAOYSA-N 446.547 5.099 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1cccc(F)c1)O3)CN(CCCCc1ccccc1)CO2 1871354429 QBQXJDHSMARIDH-XYGWBWBKSA-N 443.518 5.925 30 10 IKEE Cc1cc(OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc2c1C(=O)/C(=C/c1cccs1)O2 1871381809 DVBCWNVVYUSIAX-DUTWELIKSA-N 433.441 5.200 30 10 IKEE Cc1cc(O)c(CN2CCc3ccccc3C2)c2c1C(=O)/C(=C/c1cccc(Cl)c1)O2 1871394587 FUBHTDQZFUBWNK-QRVIBDJDSA-N 431.919 5.529 30 10 IKEE Cc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(N(C)C)cc1)C2=O 1871403884 CCFBFEGXCQEHNA-SDPDQUOZSA-N 442.515 5.083 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccccc4Cl)c3C)C2=O)cc1 1871455806 WWYVHVUJIZRTCJ-XKZIYDEJSA-N 433.891 5.591 30 10 IKEE C=CCN(CC=C)c1nc(=NCCC2=CCCCC2)nc(Nc2ccc(Cl)c(C)c2)[nH]1 1871667586 ZOILLHYBTVIQLT-UHFFFAOYSA-N 439.007 5.480 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1cccs1 1871821529 WVPGWCRJUNDBQG-NRFANRHFSA-N 448.654 5.465 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1cc(C)ccc1C 1871991769 BUDYLUJLIDSMQA-QHCPKHFHSA-N 442.625 5.294 30 10 IKEE COc1ccccc1-c1csc([C@H](C#N)C(=O)COc2cc(C)c(Cl)c(C)c2)n1 1872763633 QQRDQFZZNPOBKK-QGZVFWFLSA-N 426.925 5.344 30 10 IKEE CCCCc1ccc(N2C[C@@H](C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)CC2=O)cc1 1872768070 IUZPDZBFONGLKM-RBBKRZOGSA-N 443.572 5.382 30 10 IKEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)c(C)c1 1872769178 LOEJSRYGBMAYRF-NRFANRHFSA-N 445.588 5.331 30 10 IKEE COc1ccc(C)cc1-c1csc([C@@H](C#N)C(=O)Cc2ccc(Cl)c(Cl)c2)n1 1872771741 BFMXASSQCKKLMU-HNNXBMFYSA-N 431.344 5.853 30 10 IKEE CC(C)COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 1872773823 YXMFRISKHJQZKL-JOCHJYFZSA-N 432.589 6.632 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)nc3)n2)c(OCC)c1 1872783548 CIJMWXNORPDBAX-INIZCTEOSA-N 427.913 5.146 30 10 IKEE COc1ccccc1CC(=O)[C@@H](C#N)c1nc(-c2ccc(OC)c3ccccc23)cs1 1872787271 FUGCPVSTLCCQDO-HXUWFJFHSA-N 428.513 5.399 30 10 IKEE C=CCc1ccccc1OCc1cccc(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c1 1872834525 ZCBQKYHZZWQDFL-OAQYLSRUSA-N 425.572 6.364 30 10 IKEE CCCCCCCCNC(=O)c1ccc(CN2CCN(c3cccc(OC)c3)CC2)cc1 1872882346 GAZUXIHPGBUTAS-UHFFFAOYSA-N 437.628 5.108 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(C(C)(C)C)cc2)=C(c2ccccc2Br)C1=O 1873252104 DCBUIPJGOZRJRI-UHFFFAOYSA-N 439.353 5.125 30 10 IKEE Sc1nnc(-c2cccs2)n1/N=C/c1cccc(OCc2cccc(Cl)c2)c1 1873504009 YGQGKTHNZMJPNY-WSDLNYQXSA-N 426.954 5.410 30 10 IKEE Sc1nnc(Cc2ccccc2)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1873504686 HRDIYKKBTAUOEV-MFKUBSTISA-N 434.952 5.272 30 10 IKEE C=CCn1c(C(=O)Nc2cc(C)ccc2C)cc2c(NCc3cccc(C)c3)ncnc21 1873617979 SLFJKVPILQGJKC-UHFFFAOYSA-N 425.536 5.407 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)c(Cl)c2)cc2c(N3C[C@@H](C)C[C@H](C)C3)ncnc21 1873666559 PYVSVDSIQNHIFM-HOTGVXAUSA-N 437.975 5.314 30 10 IKEE CCCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccccc1O 1874217652 FWZPBMLIINGBPJ-FSJBWODESA-N 430.961 5.217 30 10 IKEE CCCOc1ccccc1/C=N/n1c(Cc2cccc3ccccc23)nnc1SCC 1874269593 DVNMBEAWDHMIIG-NLRVBDNBSA-N 430.577 5.805 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2sccc2C)cc1 1874349678 YCAPSUVSUBTERG-BUVRLJJBSA-N 434.590 5.422 30 10 IKEE CSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874377205 KMADASIPLJUCBQ-WGOQTCKBSA-N 432.524 5.191 30 10 IKEE Clc1cccc(CSc2nnc(Cc3cccs3)n2/N=C/c2cccnc2)c1 1874414536 XJQGGRBTNKNGNL-YDZHTSKRSA-N 425.970 5.153 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccccc3Cl)nnc2-c2ccccc2)c1 1874428492 LNZFMGDXGMYKEI-MFKUBSTISA-N 434.952 5.782 30 10 IKEE Cn1cc(/C=N/n2c(SCCc3ccccc3)nnc2-c2ccccc2)c2ccccc21 1874428552 OGYKYMVTHWUXTD-OVVQPSECSA-N 437.572 5.654 30 10 IKEE Oc1cccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2[C@@H]2CCCO2)c1 1874449013 QJEWOKALZXQPDM-RIDKEVFESA-N 449.363 5.317 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccco1 1874468405 GXONHUNOPPPCNF-WYMPLXKRSA-N 443.359 6.328 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1/N=C/c1sccc1C 1874475044 GNSLZCIUODLPDC-YDZHTSKRSA-N 441.626 5.220 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3F)nnc2C(C)C)cc1 1874509231 RNLMGWQRAMOSPV-DHRITJCHSA-N 439.560 5.277 30 10 IKEE CCc1nnc(SCc2ccccc2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874526934 OPNUFZCKABBNCP-YZSQISJMSA-N 428.561 5.594 30 10 IKEE Cc1cc(OCc2nnc(S)n2/N=C/c2ccccc2OC(C)C)cc(C)c1Cl 1874568835 SYZIHSAEPMCTCQ-FOKLQQMPSA-N 430.961 5.085 30 10 IKEE COc1cccc(C(=O)/C=C/c2cccc(OC)c2OCc2c(Cl)cccc2Cl)c1 1874572277 FPCJLZMSAXCBON-OUKQBFOZSA-N 443.326 6.486 30 10 IKEE O=C(/C=C/c1ccccc1OCc1cccc2ccccc12)c1ccc(Cl)cc1Cl 1874573255 DTNOZGKEOYMPEL-NTCAYCPXSA-N 433.334 7.622 30 10 IKEE COC(=O)c1ccc(COc2c(/C=C/C(=O)c3ccc(C)cc3)cc(Cl)cc2OC)o1 1874579419 MPDUJWPSZCTPNR-CSKARUKUSA-N 440.879 5.512 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1 1874579761 HBIKDIQAQPGDPQ-XYOKQWHBSA-N 441.354 7.257 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2ccc(C)cc2)cc1F 1874582271 GSBYCFRCXIWVAI-UKTHLTGXSA-N 449.478 5.065 30 10 IKEE C=CCOc1ccc(Br)cc1/C=C/C(=O)c1cc(Cl)c(OC)cc1OC 1874588376 JKEXVJBHUQTXOL-FNORWQNLSA-N 437.717 5.581 30 10 IKEE O=C(/C=C/c1cccc(OCc2cccc3ccccc23)c1)c1ccc(-c2ccccc2)cc1 1874593079 QVCQCZBGDKUUGK-LTGZKZEYSA-N 440.542 7.982 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc3ccccc23)c(Cl)c1)c1cccc([N+](=O)[O-])c1 1874601910 JZMVMFFIJBVROA-ACCUITESSA-N 443.886 6.877 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCc3c(Cl)cccc3Cl)c(Cl)c2)cc1 1874604451 NLSWCCJFTYCTAM-XYOKQWHBSA-N 445.773 7.684 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(OC)c1OCc1ccc(F)cc1 1874613541 ZSKOSZRGQBUPAB-JLHYYAGUSA-N 436.910 6.691 30 10 IKEE O=C(/C=C/c1ccc(OCc2c(F)cccc2Cl)c(Br)c1)c1ccccc1 1874614324 FPZLXMWDCNNYPX-PKNBQFBNSA-N 445.715 6.717 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 1874618344 VUZHTLDVQJVIMX-FMIVXFBMSA-N 447.487 5.704 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 1874624466 FGLQUJCEFSSROR-FOWTUZBSSA-N 443.543 5.906 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 1874629883 ZPLQLONTZQBSKU-YRNVUSSQSA-N 441.354 7.094 30 10 IKEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3cc(C(C)(C)C)ccc3C)cc2)o1 1874635565 SGFVXYWDUPOLDJ-NTEUORMPSA-N 432.516 6.147 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1OC(=O)C1CCCC1 1874693287 XNUYRXKVANNULQ-GZTJUZNOSA-N 426.512 6.354 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cc(C)cc(C)c3)c2)cc1OC 1874694027 ILSRFYDBIUNSDT-RMKNXTFCSA-N 446.499 5.445 30 10 IKEE CCCOc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccccc3Cl)c2)cc1 1874697064 SHQQIDZAUHAREE-NTCAYCPXSA-N 434.919 6.173 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)C2(c3ccc4c(c3)OCO4)CC2)c1)c1ccc(F)cc1F 1874699776 MTXUCLGEWVRNDD-XBXARRHUSA-N 448.421 5.227 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1cccc(/C=C/C(=O)c2ccc(Cl)cc2)c1 1874700895 RJYHSFROWIJEOT-LFIBNONCSA-N 426.899 6.537 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)COCc3ccccc3)c(Cl)c2)cc1 1875100216 UBTYTFVYFXOUBP-GXDHUFHOSA-N 434.919 5.921 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)cc2)c1 1875102407 GHSRZGYKOJSJFQ-YZILGEIOSA-N 444.527 6.088 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)Cc1ccc(F)c(C)c1 1875119550 ACBAKYWXGHDOLV-FMIVXFBMSA-N 434.463 5.196 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)c1ccc(C)c([N+](=O)[O-])c1 1875128664 NYCQTBHIKRAAAK-JLHYYAGUSA-N 431.444 5.417 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)COc1ccccc1 1875129201 PBEBNIOEEIVOBD-FOCLMDBBSA-N 428.484 5.304 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3F)c(Cl)c2)cc1 1875130020 FUCQEWSPOWRMJL-QDEBKDIKSA-N 442.845 6.132 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3cccc(C)c3C)c(Cl)c2)c(C)c1 1875131711 KRMJJYASVGYRFJ-FMIVXFBMSA-N 448.946 6.454 30 10 IKEE COCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1Br 1875148535 PMBSEXNMBQBNEW-VZUCSPMQSA-N 431.326 5.195 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)cc3)c([N+](=O)[O-])c2)cc1F 1875153278 YUXDZWBQGVSCQE-JXMROGBWSA-N 449.434 5.095 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OC(=O)c1cccs1 1875154498 HZMXJVIANIWDAM-WYMLVPIESA-N 428.509 6.415 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1sccc1C 1875170165 KGYFNVMMGBIWBL-CSKARUKUSA-N 448.584 6.804 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)c1cccnc1 1875176317 BUAAKSDASLDEHQ-ZRDIBKRKSA-N 427.500 5.551 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc(OC)c1OC(=O)CCC 1875180329 RKLHDXDYPVAAOW-ZHACJKMWSA-N 442.939 5.996 30 10 IKEE N#CC1([C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCCCCC1 1875689972 OEDXTWFJYQZAED-MUUNZHRXSA-N 441.571 6.742 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3nc(-c4ccccc4)cs3)ccc21 1890845110 HIAZHZDHXQSPRN-UHFFFAOYSA-N 433.533 5.000 30 10 IKEE O=C(Cc1cc(C(F)(F)F)ccc1F)N1CC[C@H](Cc2ccc(C(F)(F)F)cc2)C1 1891247088 NJRKMGYIJCVJKN-CQSZACIVSA-N 433.367 5.497 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCCC)c2c(Cl)cccc2Br)C1 1892692061 SPKIMNLCNKVYBT-KRWDZBQOSA-N 443.813 5.757 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@H](CNC(=O)OC(C)(C)C)C1CCCC1)NCCC 1922079108 CAVSQCBCHHJSKF-JWQCQUIFSA-N 444.660 5.849 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F 1922121555 YJAQOBCRSBITKV-NHCUHLMSSA-N 438.559 5.020 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1926494075 PSBBLELRVYLWKE-IVZQSRNASA-N 435.952 5.231 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 1945528043 UTLJJFAFJWEGDS-LZQZEXGQSA-N 433.524 5.105 30 10 IKEE C=C(COCc1ccccc1)[C@H](NC)[C@H]1C[C@@H](C(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1950363658 CSARNKHIZODWEK-ZRBLBEILSA-N 430.633 5.267 30 10 IKEE C#Cc1ccc(NC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)cc1 1984725718 NNYWFURJZNKNFS-AREMUKBSSA-N 438.527 5.170 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2CC(C#N)(N(C(=O)OC(C)(C)C)C3CCCCC3)C[C@H]2C1 1996804888 CWZRLQZHEUJSRB-ROUUACIJSA-N 433.593 5.095 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 1999944598 ORXLNEYORNMAMJ-MWTRTKDXSA-N 433.524 5.106 30 10 IKEE C=CCCCCCCCCC[C@@H](O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2026314373 UCTGDKVUOYGYBO-BJKOFHAPSA-N 433.633 6.154 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)CC12CCC2 2038094781 AMRKWHKQTKKUEU-XMMPIXPASA-N 445.535 5.393 30 10 IKEE Cc1ccc([C@@H]2C(C=CC(=O)c3ccccc3)=C(c3cccs3)Oc3ccccc32)cc1 2053493133 SWUMXSRWWQVLQO-NDEPHWFRSA-N 434.560 7.431 30 10 IKEE Cc1ccc(Sc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2[N+](=O)[O-])cc1 2053614325 LZMHAEJBDAGNDI-UHFFFAOYSA-N 431.557 7.248 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Br)c1Cl)NCCC 2063089562 BNDUDLSGRLUGAI-HZPDHXFCSA-N 431.802 5.093 30 10 IKEE Cc1ccc([C@@H](C2CCC2)n2nc(C(F)F)c(C=NO)c2Br)c(F)c1F 2079956451 GBFLRXCYHXCCOM-OAHLLOKOSA-N 434.231 5.367 30 10 IKEE CC(C)(C)c1nn([C@@H](c2ccc(C(F)(F)F)c(F)c2)C(C)(C)C)c(Cl)c1C=NO 2080052710 CQIIIJVJIAQDEO-INIZCTEOSA-N 433.877 6.436 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]1CCCNc1cc(Br)c(C#N)cc1F 2106036411 JNLVZMZKIXOPSL-CQSZACIVSA-N 426.330 5.051 30 10 IKEE COc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)c(C)c1 2143773354 ZNGXHGPIFKIAIT-LJQANCHMSA-N 431.330 5.773 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H](Nc1cc(Br)c(C#N)cc1F)C1CCCCC1 2162409709 IXAOZDXCPVZCNS-GOSISDBHSA-N 440.357 5.345 30 10 IKEE N#Cc1c(F)cc(Br)cc1N1[C@H]2CCC[C@H]1CN(Cc1ccccc1)CC2 2166726618 ILPDITRVNXTEOB-OALUTQOASA-N 428.349 5.093 30 10 IKEE Brc1ccc(Br)c(CN=C2N[C@H](c3cccs3)CS2)c1 2175632748 XVAOVGRTRDIQBB-LBPRGKRZSA-N 432.206 5.207 30 10 IKEE C=CCC[C@](C)(CO)N(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C)cc1 2211074159 KAYVNRBIRSEXBS-GDLZYMKVSA-N 441.571 6.468 30 10 IKEE CCCCCCCCC[C@H](CO)N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 2211083908 JRWARKBHTIIYHA-HSZRJFAPSA-N 449.635 6.902 30 10 IKEE C=CCCCCCCC[C@@H](NCCC)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2220095917 ARXYJBJSTQWPEI-JWQCQUIFSA-N 446.676 6.381 30 10 IKEE N[C@H](C#Cc1ccccc1Br)c1scc(Br)c1Br 2220261413 YJFVUFHFRJGTNZ-LLVKDONJSA-N 449.993 5.087 30 10 IKEE Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N1CCC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2229034180 KNIBUWZXCKTSHI-QGZVFWFLSA-N 444.381 5.040 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1c(NC(=O)OC(C)(C)C)cccc1OC 2248169593 HTCDXONDUVGJSG-HSZRJFAPSA-N 426.557 5.466 30 10 IKEE Cc1sc(C(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)c(B2OC(C)(C)C(C)(C)O2)c1C 2255862370 HOVSVLODUZXBBF-KRWDZBQOSA-N 439.430 5.105 30 10 IKEE C=C(COCc1ccccc1)[C@@]1(OCCCN)CCC(C)(C)C[C@H]1OCc1ccccc1 2263027689 JLVCAVNNJVHTPE-IAPPQJPRSA-N 437.624 5.659 30 10 IKEE C=CCN(CC[C@H](NCC)c1cc(F)cc(Br)c1F)C(=O)OC(C)(C)C 2272736540 YGZJRLLNPYXOOJ-INIZCTEOSA-N 433.337 5.191 30 10 IKEE CC1(C)OB(c2ccc(C(=O)Nc3c(Cl)cc(Cl)cc3Cl)s2)OC1(C)C 2282194207 WMVKXZDPFABIDG-UHFFFAOYSA-N 432.565 5.260 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)C(CC)(CC)NC(=O)OC(C)(C)C 2296311176 SXQJZLOIPMKEBG-LJQANCHMSA-N 437.422 5.252 30 10 IKEE C[C@H]1Oc2ccccc2C=C1C=C1Oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc2C1=O 2296535124 WIRILWPNQWSSRS-MRXNPFEDSA-N 441.439 5.497 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)C(=C(O)c4ccco4)[C@@H]3c3ccc(C)cc3)sc2c1 2296776304 FLFRERCQPCCDRT-NRFANRHFSA-N 444.512 5.386 30 10 IKEE Cc1c(OCc2c(F)cccc2Cl)ccc2c1OC(=Cc1cn(C)c3ccccc13)C2=O 2296872098 SKHUFRCZPOGCOW-UHFFFAOYSA-N 447.893 6.474 30 10 IKEE C=CCN1C(=O)C(=C(C)c2ccc(O)cc2)SC1=Nc1nc(-c2ccccc2)cs1 2314543798 MLXKKBPYBXWEQA-UHFFFAOYSA-N 433.558 5.696 30 10 IKEE COc1ccc(OC)c(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CC2)c1 2320872016 RISJVALXDRAVFR-UHFFFAOYSA-N 444.560 5.500 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C 2321344024 IILCMVJIDFBMKW-CEYNDMKZSA-N 443.588 5.664 30 10 IKEE CCCSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1N=Cc1ccco1 2321370938 BLCPLCFODUZRQG-UHFFFAOYSA-N 439.368 5.574 30 10 IKEE CCCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1cccc(Br)c1)C3=O 2322051009 KWOZQUKZBSFATL-UHFFFAOYSA-N 442.353 5.716 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)c1OCc1cccc(C)c1 2322311995 KSOMPAVAJGVEHU-UHFFFAOYSA-N 437.879 6.040 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Br)cc(OC)c2OCCCO)cc1 2322401861 IDGYJVKNWOSLMB-UHFFFAOYSA-N 447.369 5.458 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1 2322552905 VMQMVLWLRIHWOQ-UHFFFAOYSA-N 427.327 6.867 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccccc2Cl)cc1 2322557737 LUCYXTUSUZQISU-UHFFFAOYSA-N 427.327 6.867 30 10 IKEE C=C(C)COc1c(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc(Cl)cc1OC 2322774189 KQRMNNDJYFCMCK-UHFFFAOYSA-N 428.956 6.506 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCc2ccc(Cl)cc2)c2ccccc12 2323009148 ZJZPBOLBTARMPO-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE O=C(COc1cccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)c1)Nc1nccs1 2323044166 CGEURSWEAGQCIU-UHFFFAOYSA-N 440.524 5.724 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3ccc(C)cc3)c2)cc1 2323078558 KFYVSVWOLPSULE-UHFFFAOYSA-N 427.544 6.251 30 10 IKEE CCc1ccccc1NC(=O)COc1cccc(C=CC(=O)c2cc(C)ccc2OC)c1 2323177181 FNEFSKJXEBJMAE-UHFFFAOYSA-N 429.516 5.480 30 10 IKEE COc1cc(C=NNc2nc(O)cc(C(C)C)n2)ccc1OCc1ccc(C(C)(C)C)cc1 2323248477 VPFRCCBHIKYRCG-UHFFFAOYSA-N 448.567 5.637 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2cccc(OCc3cc(C)ccc3C)c2)c1 2323260836 KTBYEQKWXSNAIX-UHFFFAOYSA-N 430.544 6.576 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2ccc(OC)c(OC)c2Br)cc1Cl 2323279659 OPVBCYZFNHWSOB-UHFFFAOYSA-N 441.705 5.033 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2cccc(OCc3ccc(Cl)cc3)c2)cc1Cl 2323279926 MRJPFGDUJGEUSR-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(C=CC(=O)c3ccc4ccccc4c3)cc2)c1C 2323395828 ONHRHZFCUQHHHK-UHFFFAOYSA-N 435.523 6.370 30 10 IKEE CCCN(CCC)C(=O)COc1c(Cl)cc(C=CC(=O)c2ccccc2)cc1OC 2323802733 GWLQXPDSQHLWGZ-UHFFFAOYSA-N 429.944 5.272 30 10 IKEE CC(C)N(Cc1ccccc1)Cc1c(O)ccc2c1OC(=CC=Cc1ccccc1)C2=O 2324014430 RBGLRGGVYRLCKD-UHFFFAOYSA-N 425.528 5.975 30 10 IKEE Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2F)C3=O)c(C)c1 2324331626 VUBSLDYPCIHQTG-SFHVURJKSA-N 445.490 5.773 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3)c([N+](=O)[O-])c2)c(C)c1 2324553344 DUNJUYPUKKRCJW-UHFFFAOYSA-N 435.907 6.649 30 10 IKEE COc1ccccc1C=C1Oc2cc(OCCCCOc3ccccc3C)cc(C)c2C1=O 2324598855 RFKZNJADSRZYNW-UHFFFAOYSA-N 444.527 6.166 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@@H](C#N)C(=O)C=Cc2cccc([N+](=O)[O-])c2)n1 2324725838 ZWBFHOJATXMOLW-IBGZPJMESA-N 433.489 5.233 30 10 IKEE CCCCCOC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1OC(F)F)C2=O 2325044807 QMLXSVCAOAWKOE-UHFFFAOYSA-N 432.419 5.016 30 10 IKEE Cc1c(OCCC(=O)OCCC(C)C)ccc2c1OC(=Cc1ccccc1Cl)C2=O 2325103969 CFJQZKMYARVQQE-UHFFFAOYSA-N 428.912 5.623 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1c[nH]c2ccccc12 2325532240 QUHOJZHZYIZUJE-UHFFFAOYSA-N 439.588 6.430 30 10 IKEE O=C(C=Cc1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc(C(F)(F)F)cc1 2325669645 XTDAZLVPEIHSNV-UHFFFAOYSA-N 425.406 5.505 30 10 IKEE O=C(COc1ccc(Cl)cc1)Oc1cccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)c1 2325684522 BYKWPPFRTYRKGJ-UHFFFAOYSA-N 437.835 5.129 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1cccc(C=CC(=O)c2ccc3c(c2)CCCC3)c1 2325701910 ALFKNQMCQVTFIM-UHFFFAOYSA-N 444.958 6.653 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OC(=O)c1ccc(C)c([N+](=O)[O-])c1 2325735603 KUKCVYBRHCSDOZ-UHFFFAOYSA-N 445.471 5.644 30 10 IKEE CCCCCCCCC(=O)Oc1cccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)c1 2325737481 LPUMXKVZNLUXCH-UHFFFAOYSA-N 433.375 7.546 30 10 IKEE CCc1ccc(CCC(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)OCO4)c2)cc1 2325747697 NCDVNVLBWDUGLN-UHFFFAOYSA-N 428.484 5.412 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1OC(=O)c1ccc(OCC(C)C)cc1 2325750972 NKOKJMCUCBUQSR-UHFFFAOYSA-N 448.490 5.984 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1OC(=O)c1ccc(Cl)cc1Cl 2325751051 VJZGREWMSGJDFN-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE CCCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1ccccc1O 2325905693 FWRTWWJPIZOLOY-UHFFFAOYSA-N 438.597 5.553 30 10 IKEE Cc1cc(C)cc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccccc2C)c1 2326418289 SUAMHQNSOISDBL-UHFFFAOYSA-N 440.616 6.163 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCC=C)n1N=Cc1ccc(CC)cc1 2326470638 UPSKXVVQSCYAJD-UHFFFAOYSA-N 434.565 5.145 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccc(OC)cc1 2326524742 GBLSGVZNSKIKPQ-UHFFFAOYSA-N 442.972 5.378 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccccc1OCC 2326579500 YPPZJZXBTJYBSB-UHFFFAOYSA-N 446.979 5.986 30 10 IKEE C=C(C)CSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1cccc(OC)c1 2327272494 QXQXODOHZRFRMS-UHFFFAOYSA-N 436.581 5.341 30 10 IKEE COc1cccc(CCc2nnc(SCc3cccc(C)c3)n2N=Cc2cccs2)c1 2328612190 NKOOSXQULSXIOC-UHFFFAOYSA-N 448.617 5.616 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccc(C)c(C)c3)n2N=Cc2ccccc2)cc1 2328922149 NPWWZNYPEVRUBD-UHFFFAOYSA-N 440.616 6.163 30 10 IKEE Fc1ccc(CSc2nnc(Cc3ccc(Cl)cc3)n2N=Cc2cccs2)cc1 2329077754 LWRXWQMXGSBTAK-UHFFFAOYSA-N 442.972 5.897 30 10 IKEE Cc1cccc(C=Nn2c(Cc3ccc(Cl)cc3)nnc2SCCc2ccccc2)c1 2329108379 DWCXCQCIBBEECS-UHFFFAOYSA-N 447.007 6.048 30 10 IKEE CCCOc1ccc(C=Nn2c(Cc3ccc(Cl)cc3)nnc2SCCC)cc1 2329120792 NIQNRZSPBOANOY-UHFFFAOYSA-N 428.989 5.695 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1N=Cc1cccs1 2330636063 CUIZTRRHQUWLIW-UHFFFAOYSA-N 447.589 5.182 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(C)c3)c([N+](=O)[O-])c2)cc1C 2330867306 POKDCZLGLYJVGY-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2ccccc2C)nnc1[C@H]1CCCO1 2330896122 RZKGZLZCHFTEEO-JOCHJYFZSA-N 434.565 5.177 30 10 IKEE CCOc1cc(C=Nn2c(SCc3ccc(C)cc3)nnc2C2CCCC2)ccc1O 2331030035 VKIIVKGDIKSEJX-UHFFFAOYSA-N 436.581 5.523 30 10 IKEE Cc1ccc(C=Nn2c(SCC(=O)Nc3cccc(C)c3)nnc2C2CCCC2)cc1 2331040665 XZICMZKIMWLZIN-UHFFFAOYSA-N 433.581 5.166 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)c1ccncc1 2331135868 MQJJOACCIZTNDV-UHFFFAOYSA-N 433.891 5.587 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 2331165001 KCKUCAOMLBSUEA-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3ccccc3C)cc2)cc1 2331189308 DJZRFNUQVZBMHX-UHFFFAOYSA-N 444.527 6.054 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 2331189850 MFZISJFJTKAGIS-UHFFFAOYSA-N 428.528 6.498 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccc(C)c(C)c3)c([N+](=O)[O-])c2)cc1 2331273748 PZSNGVAUPMFCBQ-UHFFFAOYSA-N 445.471 5.401 30 10 IKEE CCCCc1nnc(SCC)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2331330707 CSAJQDWZCNLKDW-UHFFFAOYSA-N 428.989 5.847 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2ccc(Cl)c(Cl)c2)nnc1C1CCC1 2331541913 RRYBRZFMSMDQKI-UHFFFAOYSA-N 431.392 6.335 30 10 IKEE CCN[C@H](C#CC1(SC)CC1)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2336246478 SVBGJFSJOOLXGU-MRXNPFEDSA-N 439.419 5.346 30 10 IKEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Cl)cc(Br)c1F 2337103453 VUMOSFMKRMPLKD-WBVHZDCISA-N 447.776 5.199 30 10 IKEE CC[C@H]1CCC[C@@](C#N)(Cc2ccc(I)c(Br)c2)C1 2349878161 NMKAHEZERYEPPL-LRDDRELGSA-N 432.143 5.706 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@](Nc3cc(Br)cc(F)c3C#N)(C2)C1 2358093690 PXLUZRFXWUOAKI-ZUOKHONESA-N 438.341 5.051 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(Nc2cc(Cl)c(Br)cc2C)n1 2362087352 MIGPMAGJUCANSX-UHFFFAOYSA-N 437.574 5.157 30 10 IKEE CC[C@@H](Nc1c(C)nsc1Br)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2380382699 ORSZJVOOOFTWER-OAHLLOKOSA-N 437.212 5.076 30 10 IKEE CC(C)c1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c(Br)c1 1984350 XSPVMPDMUDPOQI-CYBMUJFWSA-N 447.398 5.648 30 10 IKEE CCCCCCCCOc1ccc(/C=C2/N=C(c3cccc(Cl)c3Cl)OC2=O)cc1 2942022 MCUIUKATYMKOCQ-LTGZKZEYSA-N 446.374 7.077 30 10 IKEE Cc1c(Cl)cccc1/N=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])o2)c([N+](=O)[O-])c1 3079809 QHYHJTLMWXPQJP-UFFVCSGVSA-N 429.772 5.028 30 10 IKEE O=C(/C=C\c1cccc(OC(=O)c2ccc3c(c2)OCO3)c1)c1ccc(-c2ccccc2)cc1 34955579 UPOCAGAKFVHPEV-DHDCSXOGSA-N 448.474 6.198 30 10 IKEE Cc1occc1C(=O)Nc1ccc(C(=O)/C=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 39850880 ADXFBSAXFLWCSS-PKNBQFBNSA-N 442.427 5.905 30 10 IKEE C=CCSc1nc2ccc(NC(=O)CSc3nc(-c4ccccc4)n[nH]3)cc2s1 59774380 LVDJDWCNRVMKLG-UHFFFAOYSA-N 439.591 5.090 30 10 IKEE CCOc1cc(C(=O)N2CCCS/C2=N/c2ccccc2)cc(OCC)c1OCC 96298666 BDZDJCNBXCZTMG-WCWDXBQESA-N 428.554 5.150 30 10 IKEE Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1CCCS/C1=N/c1ccccc1C(C)C 97676150 WWRKHXUSMPOEBN-CYYJNZCTSA-N 446.620 5.938 30 10 IKEE C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@@H]2CC[C@@H]3[C@@H](C)/C=C/[C@@H](C)[C@H](C)CO)C[C@H](O)C[C@@H]1O 97978137 FEVQPNVYQOMSLW-LKTIZPNHSA-N 428.657 5.584 30 10 IKEE in-vitro CCCCCCCOc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 100153339 SFVYQUBKUJDFEJ-UHFFFAOYSA-N 444.575 6.218 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1 100153950 SFGPZZZAWFLNOX-UHFFFAOYSA-N 439.408 6.469 30 10 IKEE CCCCCCCC[P@@](=O)(CC(=O)N(CC(C)(C)C)CC(C)(C)C)c1ccccc1 100227975 JFIFPMVVOZHPQW-SSEXGKCCSA-N 435.633 6.956 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)S/C1=N/c1ccccn1 101124054 WDWPUSRLTVHRJD-BQDIORIJSA-N 429.545 5.593 30 10 IKEE N#C[C@H](C(=O)c1cc(Br)ccc1Br)c1ccc(Cl)c(Cl)c1 160723548 XGVWDSJIEQLHRN-NSHDSACASA-N 447.941 6.008 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\n2c(SC)nnc(C)c2=O)cc1OCC 169882555 PUNMXWNMSDVMMU-ULJHMMPZSA-N 446.617 5.079 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccc(OC)cc2)cc1 169922350 ZYWRKKLTCDFRFR-VWLOTQADSA-N 441.527 5.657 30 10 IKEE COc1cccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2cc(C)cc(C)c2)c1 169930307 ZGXRBLWGTMCYOM-AREMUKBSSA-N 441.527 5.414 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(OCc3ccccc3F)cc2)NC(=S)N1 169937966 VEBDECXRQJHDKM-HSZRJFAPSA-N 432.520 5.080 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccc(O)cc2)c1 169960390 ZJRWTCQBUPXBSP-XMMPIXPASA-N 438.483 5.273 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1ccc(O)cc1)c1cccc(Cl)c1 169963704 YASYUWUENPNZLG-HXUWFJFHSA-N 441.817 5.107 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2cccs2)c1 169989021 SKZPWYKQKFGHPU-QFIPXVFZSA-N 433.529 5.152 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccncc2)cc1 170016604 DQVIGKXETIOFKM-XMMPIXPASA-N 442.515 5.387 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccncc2)c1 170025582 WFEIZUBIGJEPTF-SANMLTNESA-N 448.522 5.630 30 10 IKEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4ccc5ccccc5c4)[C@H]3c3ccco3)nc2c1 170098599 KLNUOTQQKHHGTB-HSZRJFAPSA-N 449.466 5.400 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(O)cc1 170133416 XBQRDAHIQGVNMR-RUZDIDTESA-N 439.511 5.362 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccs2)cc1C 170155896 KUCMGOWZJTYFKG-NRFANRHFSA-N 437.492 5.377 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1 170223527 MNGKHIMTJIVYEF-DEOSSOPVSA-N 443.518 6.215 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@@H]1c1ccccc1 170225434 VFPQAVGAIJTSNX-XMMPIXPASA-N 441.527 5.712 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1ccc(C(C)C)cc1 170245647 KGVNIZIEMYVVJW-XMMPIXPASA-N 435.564 5.894 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2F)cc1 170248223 BYLVCJLCYKOZGU-QFIPXVFZSA-N 435.426 5.146 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@@H]1c1ccccc1F 170253198 LMUUGXLGPMYBGL-QHCPKHFHSA-N 439.527 5.726 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc3ccccc23)[C@@H]1c1ccco1 170287448 BXPVTEAKWRJEKN-HSZRJFAPSA-N 443.430 5.363 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccc(C)o2)c1 170299886 YZZGVEJMMFGYQE-HSZRJFAPSA-N 426.472 5.469 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(OC)c(OC)c2)cc1 170391066 GWULYMJOEBYJCR-DEOSSOPVSA-N 443.499 5.049 30 10 IKEE COc1ccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cc(Cl)ccc2C)cc1OC 170434438 QEJNUQNXWWHOQT-HXUWFJFHSA-N 443.927 5.181 30 10 IKEE COc1ccc2nc(Nc3c(C#N)cnn3-c3cc(C)c4cccc(C)c4n3)sc2c1 170547573 VUDMYHAJCBHYIY-UHFFFAOYSA-N 426.505 5.271 30 10 IKEE N#Cc1ccc(Br)cc1Nc1ccc(Cl)cc1I 232245181 WPIYKEPKPBZXPM-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE COc1ccc(/C=C2/C[C@@H]3[C@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cc1 252512537 RZZSYQOCHYTRMK-UHVFHPPWSA-N 448.603 6.152 30 10 IKEE Cc1ccccc1NN=C(C(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccccc1 252621762 NGFRSYJEESVIHS-UHFFFAOYSA-N 426.303 5.591 30 10 IKEE CC(C)(C)c1ccc(CSc2nnc(N/N=C(\c3ccccc3)c3cccs3)[nH]2)cc1 253560160 ALIVPWHBKUMGMG-YYADALCUSA-N 447.633 6.321 30 10 IKEE CCCCN=c1scc(-c2ccc(C3CCCCC3)cc2)n1N=Cc1ccc(C#N)cc1 254341301 PSOGCPRNBWPOGP-UHFFFAOYSA-N 442.632 6.719 30 10 IKEE Cc1cccc(N2C(=O)/C(=C3/Sc4ccccc4N3C)SC2=Nc2ccccc2C)c1 254512806 UTIRDWYKPIHXFQ-VUQCETKJSA-N 443.597 6.482 30 10 IKEE Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@H]3[C@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4CC[C@@]23C)cc1 256762924 LQBTZXLGHXAZEI-DWWGGXHQSA-N 442.621 5.601 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2sccc2C)c1 526515914 MXULMEXSCSOXCP-QFIPXVFZSA-N 430.529 5.774 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1cccc(OC)c1OC 526811819 UQCYGWMZMCPWEN-QRVIBDJDSA-N 430.961 5.076 30 10 IKEE COc1ccc(/C=N\n2cnnc2SCc2ccc(Cl)c(Cl)c2)c(Cl)c1O 526813862 BXLPWSACCGZPKB-HOEBFWFUSA-N 443.743 5.127 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1cccc(OC(C)C)c1 526816877 FHEXKOOBWRQDNT-MXAYSNPKSA-N 446.979 5.985 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1c(C)[nH]c2ccccc12 526818936 HUNGBMQYFVUPHY-YSMPRRRNSA-N 431.609 6.202 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1cccc(OC)c1 526824816 VJFFUDZUIFVXMS-CFRMEGHHSA-N 449.407 6.111 30 10 IKEE CCCc1nnc(SCc2cccc(C(=O)OC)c2)n1/N=C\c1ccc(C(C)C)cc1 526827173 RBEAOWQSWHVFEE-MYYYXRDXSA-N 436.581 5.315 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)C1(C#N)CCC2(CCCC2)CC1 698444049 KZYVUOLCSFPNKD-UHFFFAOYSA-N 433.390 6.587 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C1 698901709 KWTYIWPMUAWFQD-JOCHJYFZSA-N 435.952 5.375 30 10 IKEE C[C@H](Sc1nc2ccc(N=Cc3ccccc3O)cc2s1)C(=O)Nc1nccs1 725410878 PYYJNXVXPRIIDF-LBPRGKRZSA-N 440.575 5.328 30 10 IKEE Cc1ccsc1C=Nc1ccc2cc3ccc(N=Cc4sccc4C)cc3nc2c1 1083941987 COKRHYYQQGUBGB-UHFFFAOYSA-N 425.582 7.629 30 10 IKEE Clc1ccc(CSc2n[nH]c(NN=Cc3cccc(Cl)c3Cl)n2)cc1Cl 1084552219 AVKXWRPIFNFZFZ-UHFFFAOYSA-N 447.178 6.157 30 10 IKEE C=CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H](C)C1CCCCC1 1690460713 MIDSQXGPYFFXOS-SFHVURJKSA-N 434.588 5.355 30 10 IKEE Cc1ccc(N=C2S/C(=C/c3cn(C)c4ccccc34)C(=O)N2c2ccc(C)cc2)cc1 1772742906 NIWZUFQUYCBEGF-FOQODDTFSA-N 437.568 6.604 30 10 IKEE Cc1ccc(C)c(C(=O)C[C@@H]2SC(=Nc3ccc(O)cc3)N(c3ccc(O)cc3)C2=O)c1 1772760084 PGDFQSNXABNCKC-QHCPKHFHSA-N 446.528 5.124 30 10 IKEE CC(C)(C)C1CCC(OC(=O)COc2ccc(NC(=O)c3cccc(C#N)c3)cc2)CC1 1860159618 JCSPTEYLMMLMRJ-UHFFFAOYSA-N 434.536 5.337 30 10 IKEE O=C(/C=C/c1ccc(Br)cc1F)C(=O)NC1CCCCCCCCCCC1 1860736458 OBDKMGNWBGLFSA-FYWRMAATSA-N 438.381 5.960 30 10 IKEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)c1c(Cl)ccc(Cl)c1OC 1861148527 VVXWIIBIEFNNCL-UHFFFAOYSA-N 445.431 5.767 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)CCOc1ccccc1)c1ccccc1 1861780548 RYAAEYIRNSYTQG-AREMUKBSSA-N 438.612 5.570 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)c1cc([N+](=O)[O-])ccc1Cl 1861834888 DMJPHFWSMMZUMT-IBGZPJMESA-N 425.957 5.014 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(C)cc1 1862380268 YLVMEGNDLMMAHH-OAQYLSRUSA-N 446.374 6.460 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(CCCC)cc3)=C(O)C(=O)N2C(C)C)cc1 1862394275 KMPNBBBTQYEMJT-VWLOTQADSA-N 449.591 6.195 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccccc1 1862396717 DPJAFWQADSMBOI-ZJSXRUAMSA-N 435.564 5.941 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCc2cccs2)c1 1862412173 YDAANBMIVONKSQ-OAQYLSRUSA-N 439.483 5.156 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862418990 NKZRTVPCIYDINR-FQEVSTJZSA-N 444.434 5.032 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccccc2)cc1OCCC 1862424695 GJTRHOXJNHFDDQ-QHCPKHFHSA-N 437.536 5.251 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccccc2Cl)c1 1862490769 DFEBCVIDPILOHE-XMMPIXPASA-N 445.946 6.044 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(C(C)(C)C)cc1 1862493936 BAHHQQGQMKUCBG-DEOSSOPVSA-N 433.592 6.369 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(OC)cc2)cc1 1862535632 HZMBNBGZNWANKE-DEOSSOPVSA-N 433.548 5.559 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cccc2ccccc12 1862630936 FGDODEJEADSNKT-DEOSSOPVSA-N 443.499 5.193 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(C(C)C)cc2)=C(O)C(=O)N1CCCOC(C)C 1862660747 QJOVFQUIUTUKOA-XMMPIXPASA-N 435.564 5.512 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2C2CCCC2)c1 1862695093 AEJNAUMIQJIYMB-QHCPKHFHSA-N 435.520 5.005 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc(F)c1 1862715890 SXIULRGDIFLZBH-DEOSSOPVSA-N 447.506 5.372 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2C(C)C)cc1 1862726360 DUOWCRRBDTYQSS-RUZDIDTESA-N 441.527 5.739 30 10 IKEE Cc1ccc(C2=C(Nc3cccc4c3CCCC4)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862897328 IPRKKRJQKJIUPO-UHFFFAOYSA-N 433.511 5.142 30 10 IKEE CCCOc1ccc(NC2=C(c3ccc(C)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862897462 OQFRTGSBOSHKEM-UHFFFAOYSA-N 437.499 5.052 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccccc2[N+](=O)[O-])C1=O 1863238128 HYERJVXEYNXKDV-IBGZPJMESA-N 446.507 5.017 30 10 IKEE CCCCCCCCCCNC1=C(c2cc(Cl)ccc2Cl)C(=O)N(CC)C1=O 1863727063 IGOLYDCYFQUAFP-UHFFFAOYSA-N 425.400 5.824 30 10 IKEE CN1CCN(c2cc(Nc3cccc(C#N)c3)nc(C(C)(C)C)n2)C[C@@H]1c1ccc(F)cc1 1868333454 KBLXFLOOWQCRCM-JOCHJYFZSA-N 444.558 5.022 30 10 IKEE CCCc1nc(Nc2cccc(C#N)c2)cc(N2CCC(Oc3ccc(OC)cc3)CC2)n1 1868378605 PDSXGKOIEMNUFP-UHFFFAOYSA-N 443.551 5.101 30 10 IKEE C=CCN(CC=C)c1cc(N(C)CC(C)(C)c2ccccc2)nc(-c2ccc(C)cc2)n1 1869168189 HZAOOLYKFUAQQA-UHFFFAOYSA-N 426.608 6.044 30 10 IKEE Cc1ccc(SCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCC(C)C)cc1 1870233707 CVDUYWGXPRTOSD-UHFFFAOYSA-N 432.589 5.946 30 10 IKEE C=CCOc1cn(Cc2ccco2)c(CSc2ccc(Br)cc2)cc1=O 1870246209 STVBUCCVGFNNFM-UHFFFAOYSA-N 432.339 5.109 30 10 IKEE CCCCCCCOc1cn(C[C@H](c2ccc(O)cc2)N(C)C)c(CSCC)cc1=O 1870259613 AGQOUAWQNUUWBG-HSZRJFAPSA-N 446.657 5.459 30 10 IKEE CCCCCCCCCCn1cc(OC)c(=O)cc1CSc1nc2ccccc2s1 1870297045 FIJMFWHXTGVKFO-UHFFFAOYSA-N 444.666 6.900 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)OC(C)C)c(=O)cc1CN1CCCCC1 1870481828 AZGYCVGZQPHPQP-UHFFFAOYSA-N 448.648 5.305 30 10 IKEE CCCCCCCOc1cn(C[C@@H]2CCCO2)c(CNc2ccc(C)c(C)c2)cc1=O 1870833758 RHPKIQWCDZTATQ-DEOSSOPVSA-N 426.601 5.605 30 10 IKEE CCCCCCCOc1cn(CCCCCC)c(CNc2ccc(C)c(C)c2)cc1=O 1870839788 ZUZPTKSEZWJYSB-UHFFFAOYSA-N 426.645 7.007 30 10 IKEE C=CCn1cc(OCc2c(Cl)cccc2Cl)c(=O)cc1CNc1ccc(F)cc1 1871049819 UCRNQQMJQNOBLN-UHFFFAOYSA-N 433.310 5.671 30 10 IKEE Cc1cc(Cl)ccc1NCc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CC(C)C 1871251835 YQZNQKQSNPBGNR-UHFFFAOYSA-N 435.955 5.529 30 10 IKEE COc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN([C@H]2CCCC[C@@H]2C)C4)c(OC)c1 1871351029 GXVCSHURXFCNNR-QQLRHYFPSA-N 449.547 5.359 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OC(=O)CCc3ccc(C)cc3)cc(C)c2C1=O 1871367310 FCKYLGYVBQCVHV-XYGWBWBKSA-N 442.511 5.857 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2sccc2C)C3=O)c1 1871389342 QSCCQENZNAUEEY-MOSHPQCFSA-N 434.469 5.207 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 1871440424 OGGSDYCMINZTHJ-UUYOSTAYSA-N 431.463 5.385 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(Cl)cc2)ccc2c1O/C(=C\C=C\c1ccccc1)C2=O 1871440681 BMPMEKNCQKSKCN-ABVWVXPPSA-N 445.902 5.838 30 10 IKEE CCCCCCCCCCN=c1nc(N(CC)CC)[nH]c(=Nc2ccc(C)c(Cl)c2)[nH]1 1871489512 YPIWEXFFAJUJNS-UHFFFAOYSA-N 447.071 5.820 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(-c2ccccc2C)cc1)c1ccccc1)S(=O)(=O)CC 1872216115 SYKCUBSNMVLKSN-VWLOTQADSA-N 448.588 5.180 30 10 IKEE C=CCN([C@@H](C(=O)Nc1cc(Cl)ccc1C)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872454208 SCSGWBGULMYCLN-JOCHJYFZSA-N 449.016 5.105 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cc(Cl)ccc1C)c1ccccc1)S(=O)(=O)CCCC 1872459191 JIFNKOLHHHPDIO-QFIPXVFZSA-N 449.016 5.336 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccccc1CC)S(=O)(=O)c1ccc(C)cc1 1872475084 AKXPWTLDCIGYSX-DEOSSOPVSA-N 442.625 5.322 30 10 IKEE Cc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1C 1872769422 RSGZIJBMLRRMDB-INIZCTEOSA-N 431.344 5.989 30 10 IKEE CC(C)c1ccc(-c2csc([C@@H](C#N)C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)cc1 1872776280 MKVGQSGJRZHSNM-SFHVURJKSA-N 436.449 5.240 30 10 IKEE CC(C)c1ccccc1O[C@H](C)C(=O)[C@H](C#N)c1nc(-c2c[nH]c3ccccc23)cs1 1872777411 NBAJYOLEKIAEOT-APWZRJJASA-N 429.545 6.059 30 10 IKEE CCCCCCCCNc1ncnc2c1ccc(=O)n2-c1ccc(-c2ccccc2C)cc1 1873539332 FEPVRYFHNWIPQE-UHFFFAOYSA-N 440.591 6.529 30 10 IKEE CCCCCCCCNc1ncnc2c1ccc(=O)n2-c1cc(C(C)C)cc(C(C)C)c1 1873540445 GLOUDGJEEMMQOA-UHFFFAOYSA-N 434.628 6.800 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2)n1/N=C/c1cccc(Cl)c1 1874316830 MNUALRMEVRVUKG-BUVRLJJBSA-N 426.973 5.494 30 10 IKEE Cc1ccsc1/C=N/n1c(CCOc2ccccc2)nnc1SCc1ccccc1 1874346262 FXRYRFKGUFGKBV-LFVJCYFKSA-N 434.590 5.444 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccncc1 1874378339 FRELZOCIHKEKFO-VULFUBBASA-N 437.931 5.231 30 10 IKEE C=CCSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1ccc(Br)cc1 1874389735 CJMKQBUNQOABOX-HYARGMPZSA-N 427.371 5.100 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccncc1 1874401215 JMWLWUBCWADSOD-CIRUFVMISA-N 433.968 5.653 30 10 IKEE Oc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccccc2F)c(O)c1 1874408427 WKUATHFDWZRFTJ-AFUMVMLFSA-N 440.544 5.126 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2-c2cccs2)cc1 1874422611 VNELSCHFZNFVEC-ZVHZXABRSA-N 434.590 5.807 30 10 IKEE Cc1cccc(CSc2nnc(CC(C)(C)C)n2/N=C/c2ccccc2OC(C)C)c1 1874437447 BHYRFNXLICNJOF-WGOQTCKBSA-N 436.625 6.137 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2ccc(C)cc2)o1 1874454326 CBVQGIFMIOCFCW-ZVHZXABRSA-N 438.553 5.188 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2C2CCCC2)cc1 1874454396 JRRICUUNEMYWEC-YZSQISJMSA-N 434.609 6.207 30 10 IKEE Oc1ccccc1/C=N/n1c(SCc2cccc3ccccc23)nnc1C1CCCC1 1874456654 FGJMFCJKJQVGPT-WGOQTCKBSA-N 428.561 5.969 30 10 IKEE O=[N+]([O-])c1ccccc1/C=N/n1c(SCc2cccc(Cl)c2)nnc1C1CCCC1 1874457633 YWXLSIIYDCMYMX-YDZHTSKRSA-N 441.944 5.672 30 10 IKEE CSc1nnc(C(F)(F)F)n1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1874458762 DNYULRCUEIOKJB-LGJNPRDNSA-N 442.466 5.633 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2-c2ccco2)cc1 1874467116 SCTUDEAQGYMFLE-AFUMVMLFSA-N 436.968 6.489 30 10 IKEE Cn1cccc1/C=N/n1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccco1 1874468635 RDLKBRHPRHOPAA-SSDVNMTOSA-N 432.336 5.358 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc3ccccc3c2)c1OCc1ccc(Cl)cc1 1874571333 IBTVMSAQAGFALF-DTQAZKPQSA-N 428.915 6.977 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(F)cc2F)c1OCc1ccc(Cl)cc1Cl 1874576266 FXVNLJRCMLKFKP-UXBLZVDNSA-N 449.280 6.755 30 10 IKEE COc1ccccc1C(=O)/C=C/c1c(OCc2cccc(Cl)c2)ccc2ccccc12 1874576847 IWTOSNCHUYRHLU-CCEZHUSRSA-N 428.915 6.977 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(F)c(F)c2)c1OCCc1ccccc1 1874584938 IXTOILLKIWMLEI-CSKARUKUSA-N 428.862 6.144 30 10 IKEE COc1cccc(/C=C/C(=O)c2c(C)cc(C)cc2C)c1OCC(=O)NC1CCCCC1 1874589982 MXFRIZJMKAKYKF-BUHFOSPRSA-N 435.564 5.344 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1)Nc1ccccc1F 1874604188 ZOFPKCKVFSCJME-LFIBNONCSA-N 429.491 5.618 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)ccc1OCc1c(F)cccc1Cl 1874604966 BKGUUISGLMAYMZ-ZRDIBKRKSA-N 440.898 6.362 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc(Cl)c2)c(Br)c1)c1ccc(F)cc1 1874625010 HTQGDAJSQJTTQU-ONNFQVAWSA-N 445.715 6.717 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(F)c(F)c3)cc2Cl)cc1 1874626054 KCMXOAQPZRYGMM-ONNFQVAWSA-N 441.861 5.840 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCCc3ccccc3)c(Br)c2)cc1C 1874631800 VARHFVDAFXXCEW-FMIVXFBMSA-N 435.361 6.584 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc(OC)c1OCCCO 1874638632 KCSPIANFTLCWBF-ACCUITESSA-N 432.516 5.243 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(F)c(F)c3)c2)c1 1874710537 CVVFHXPZELDDRF-JLHYYAGUSA-N 436.454 5.934 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1 1875094824 KHTADCCXKLZPLI-RQZCQDPDSA-N 440.926 6.928 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)C(C)(C)C)c(Br)c2)cc1C 1875108532 SOLDKRVVKYLGFP-RMKNXTFCSA-N 431.326 5.614 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cc(Cl)ccc2Cl)c(Cl)c1)c1ccccc1 1875128128 OSVKEAOZRYRSKL-UXBLZVDNSA-N 431.702 6.762 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)CCc1ccccc1C 1875128987 FKKUYEFCSKIQJW-BMRADRMJSA-N 440.539 6.166 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)c3ccccc3)c([N+](=O)[O-])c2)cc1 1875129952 BKQXGYLGGDHGAW-DWCFMXGVSA-N 445.471 5.599 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)Oc3ccc(Cl)cc3)cc2)c(C)c1 1875131326 RIVWSGQTZTURGE-ZSTKBLHXSA-N 434.919 6.226 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)c1ccc(Cl)cc1 1875133904 LQXKIFCSHXWTHC-AWNIVKPZSA-N 434.919 6.471 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(OC)c(OC)c1 1875136537 DLYDXAJFGSJKLU-MDWZMJQESA-N 446.499 5.526 30 10 IKEE O=C(Cc1cccs1)Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1Cl 1875153886 CKJDNDROTADYNM-ZRDIBKRKSA-N 432.928 6.599 30 10 IKEE Cc1cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2Cl)ccc1[N+](=O)[O-] 1875158198 KKWLNIBCYKUQLI-WTDSWWLTSA-N 439.826 5.811 30 10 IKEE COCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)cc1Cl 1875168367 ZGDRTPPMVJGASD-HWKANZROSA-N 443.710 5.493 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2[N+](=O)[O-])c1 1875174636 BGWDZIJVOLGIQM-DHZHZOJOSA-N 443.499 5.873 30 10 IKEE N#Cc1ccnc(OCC2CCN(C(=O)c3ccc(-c4cccc(Cl)c4)cc3)CC2)c1 1891419466 RMWHIDJXOYCOHA-UHFFFAOYSA-N 431.923 5.205 30 10 IKEE C=C[C@]1(Oc2cc(Br)ccc2C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1 1903493575 BKUAOSUGNLVGMB-KRWDZBQOSA-N 436.268 5.412 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](C)CCC[C@H](C)NC(=O)OC(C)(C)C 1922072472 VCEXXTNPTURWPN-JCTONOIOSA-N 432.649 5.847 30 10 IKEE C=C([C@@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)C(C)(C)C 1947455831 VPZYXSHZKNOVAN-ATIYNZHBSA-N 429.649 5.126 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CC[C@@](F)(CNC(=O)OC(C)(C)C)C1 2003063791 PULXSQIDWJGFHQ-HWBMXIPRSA-N 434.596 5.161 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@]2(C)CCCN2C(=O)OC(C)(C)C)c1 2020808292 SPLPFXCDOUTWPB-NTKDMRAZSA-N 429.561 5.418 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)[C@@H]1CCSC1(C)C 2033645004 GUKWYROKLQYDIP-HOTGVXAUSA-N 425.392 5.614 30 10 IKEE CC#C[C@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4c(C)cccc4C)nn3c2)cc1 2060439920 FDIWCHYTKOPHPS-JOCHJYFZSA-N 439.515 5.174 30 10 IKEE N#Cc1cc(Br)ccc1Nc1ccc(Br)c(Br)c1 2065992720 LGBFZWCSWPVURM-UHFFFAOYSA-N 430.925 5.589 30 10 IKEE Cc1cc(C)c([C@@H](C2CC2)n2nc(C(C)C)c(C#N)c2I)c(C)c1 2079992396 CNVNSTUVJVZSLR-LJQANCHMSA-N 433.337 5.407 30 10 IKEE CC(=O)Oc1ccc([C@H](C2CCC2)n2nc(C3CCC3)c(C=NO)c2Br)cc1 2080080695 YDIWYTZPUCNRFS-FQEVSTJZSA-N 446.345 5.036 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]([C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 2082162550 SZXOUZLROOPOQW-NVTAWBTOSA-N 447.551 5.543 30 10 IKEE CCCCCC#CC[C@@H](NC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2083434251 QJJIVHRJINBRGT-SQHAQQRYSA-N 442.644 5.392 30 10 IKEE C=CCN(CC[C@H](NCCC)c1cccc(Br)c1C)C(=O)OC(C)(C)C 2138847938 BUGYFWDGXCPGMY-IBGZPJMESA-N 425.411 5.611 30 10 IKEE CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1Nc1ccc(Br)cc1C#N 2149853415 UFFLAQIUZCKWET-APWZRJJASA-N 436.394 5.404 30 10 IKEE C=CCCC1([C@H](N)c2cccc(Cl)c2Br)CN(C(=O)OC(C)(C)C)C1 2259403737 CZLPTYCHSIFYCK-MRXNPFEDSA-N 429.786 5.306 30 10 IKEE C=C(C(C)(C)C)[C@@](C)(OCCCN)c1cc(Br)c(Br)s1 2293364022 LTURSOYAOITBKF-OAHLLOKOSA-N 425.230 5.456 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Cl)CCCCCNC(=O)OCc1ccccc1 2295219336 LYSHSQTWGUIVLF-QHCPKHFHSA-N 426.988 5.547 30 10 IKEE CC=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C#Cc1cccc(Br)c1)NCCC 2296265732 AHTHXHVXMMMJIP-VQTJNVASSA-N 435.406 5.028 30 10 IKEE CN[C@@H](C#Cc1cccc(Br)c1)c1ccc(NC(=O)OC(C)(C)C)c(C)c1 2296285807 FIHJCUHILBRZSZ-FQEVSTJZSA-N 429.358 5.417 30 10 IKEE CN[C@@H](C#Cc1ccc(Br)cc1)c1cc(Cl)ccc1NC(=O)OC(C)(C)C 2296306700 KXKHUKIXNRUCLD-SFHVURJKSA-N 449.776 5.762 30 10 IKEE CCCCN(CCCC)Cc1c(O)ccc2c1OC(=Cc1cn(C)c3ccccc13)C2=O 2296596527 DBGDDNVVIJTJOT-UHFFFAOYSA-N 432.564 5.902 30 10 IKEE CCCCN1C(=O)C(=C2Sc3ccccc3N2C)SC1=Nc1cccc2ncccc12 2297550010 ANCCVHAQGMXIID-UHFFFAOYSA-N 446.601 6.009 30 10 IKEE CCN=C1SC(=Cc2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)C(=O)N1CC 2313556095 MHKZNVJZNAIUDI-UHFFFAOYSA-N 429.589 6.073 30 10 IKEE C=C(C)CSc1nnc(CC)n1N=Cc1ccccc1OCc1ccccc1Cl 2321000413 XVDPFKTXDYELBQ-UHFFFAOYSA-N 426.973 5.623 30 10 IKEE Cc1cc(C)cc(OCCN2COc3ccc4c(c3C2)OC(=Cc2cccs2)C4=O)c1 2322193113 AXNYHOJXSIAVBG-UHFFFAOYSA-N 433.529 5.212 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccccc1Br)O3)CN(CCC(C)C)CO2 2322235006 FJYBZJSUXIUDDL-UHFFFAOYSA-N 442.353 5.572 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccccc1Br)C3=O)CN(CC(C)C)CO2 2322353693 NYTBDQGNMASLKF-UHFFFAOYSA-N 428.326 5.182 30 10 IKEE C=C(C)COc1ccc(Br)cc1C=CC(=O)c1ccc(Br)cc1 2322416713 XZWYHKFIOPMRCI-UHFFFAOYSA-N 436.143 6.063 30 10 IKEE Cc1cccc(COc2ccc(Br)cc2C=CC(=O)c2ccc(Cl)cc2)c1 2322528429 YRUNXLIYULGVKT-UHFFFAOYSA-N 441.752 6.886 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 2322907186 NBBJFMWIVBZTLI-UHFFFAOYSA-N 449.459 5.096 30 10 IKEE CCOc1ccc(C(=O)C=Cc2c(OCC(=O)OC)ccc3ccccc23)c(OCC)c1 2322915968 FSGAGPSZRUCJOJ-UHFFFAOYSA-N 434.488 5.085 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1OCC(=O)NC1CCCCC1 2323126427 PHYYYEQMAMAVOR-UHFFFAOYSA-N 427.928 5.072 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OCC(=O)Nc1c(C)cccc1C 2323153232 NSTIYDIAOALQKA-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc3C2=O)o1 2323203715 XSNRGDIGOLQBFZ-UHFFFAOYSA-N 436.463 5.942 30 10 IKEE Cc1c(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cccc1[N+](=O)[O-] 2323260257 MWNRSCWVKBUHTC-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE CCCOc1c(Br)cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1OC 2323434368 OOKQNYRBDYNLSF-UHFFFAOYSA-N 429.354 6.021 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3CC)c(OC)c2)cc1 2323485724 ZZPZCZPRWKWYLC-UHFFFAOYSA-N 443.543 5.734 30 10 IKEE Cc1c(OC(=O)C=Cc2ccc([N+](=O)[O-])cc2)ccc2c1OC(=Cc1ccc(F)cc1)C2=O 2323597425 IRKBBUJAHPZPRA-UHFFFAOYSA-N 445.402 5.277 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccccc2Cl)cc1Cl)Nc1nccs1 2323603280 IZGYTRUBCIKYNY-UHFFFAOYSA-N 433.316 5.364 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)CCc4ccccc4)cc(C)c3C2=O)cc1OC 2323720875 OTVVRXLTGNLOTG-UHFFFAOYSA-N 444.483 5.167 30 10 IKEE C[C@H]1CCCN(Cc2c(O)ccc3c2OC(=Cc2cccc(Br)c2)C3=O)C1 2324066526 WAMPNXIBVDRPSQ-AWEZNQCLSA-N 428.326 5.003 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C)o2)C3=O)c(C)c1 2324495166 RGVIECKVQLDCTD-SFHVURJKSA-N 431.488 5.535 30 10 IKEE CCOc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3cc(OC)ccc3OC)cs2)cc1 2324583947 WDMPVVKMQFRMKP-FQEVSTJZSA-N 434.517 5.116 30 10 IKEE Cc1cc(OCCOc2ccccc2F)cc2c1C(=O)C(=Cc1cn(C)c3ccccc13)O2 2324853118 VYOZBSZFFUCQSI-UHFFFAOYSA-N 443.474 5.700 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OCC(=O)N[C@H](C)c4ccccc4)c3C)C2=O)cc1 2325019869 CRFXWYDEWPFZRQ-LJQANCHMSA-N 441.527 5.430 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCc4cccc(Oc5ccccc5)c4)ccc3C2=O)c1 2325346297 MVYACMUHJZMSHC-UHFFFAOYSA-N 434.491 6.983 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccc(Cl)cc1Cl 2325509517 JKLSNNCMSUEKMV-UHFFFAOYSA-N 433.408 6.410 30 10 IKEE CCCCCOc1ccc(C=Nn2c(CCC)nnc2SCc2ccccc2F)cc1 2325553951 WAUDXMYSZDOXPH-UHFFFAOYSA-N 440.588 6.113 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(C)nnc2SCc2ccc(Cl)c(Cl)c2)cc1 2325642575 MMYMWOYAMRAZSO-UHFFFAOYSA-N 448.423 5.914 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)c2)cc1 2325705622 APNQPMWBFUQKEB-OAQYLSRUSA-N 442.555 6.641 30 10 IKEE O=C(COc1ccccc1)Oc1cccc(C=CC(=O)c2cccc(Br)c2)c1 2325720834 QWBHYWMYYPNXRL-UHFFFAOYSA-N 437.289 5.330 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)c1 2325721389 WEPHFYZVYQKSPQ-UHFFFAOYSA-N 441.527 6.061 30 10 IKEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CC[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C1 2326072201 IEAYMJAFEUFZJY-VVZHRXSXSA-N 442.600 5.088 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1N=Cc1cccc(C(F)(F)F)c1 2326272611 XFPYOKNCFIZIRV-UHFFFAOYSA-N 436.478 5.953 30 10 IKEE CCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1cc(Cl)c(OC)c(Cl)c1 2326401235 GLJUMOIKUDFJAA-UHFFFAOYSA-N 449.407 5.947 30 10 IKEE Cc1cc(C)cc(CSc2nnc(CCc3ccccc3)n2N=Cc2cccs2)c1 2326418235 DOQJMLOHXWFDLA-UHFFFAOYSA-N 432.618 5.916 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccccn2)c(C)c1 2326460721 JYNPVGBEEMAWGV-UHFFFAOYSA-N 427.577 5.250 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(OC(C)C)cc1 2326569894 PUMLRSQKBLHWOS-UHFFFAOYSA-N 432.952 5.595 30 10 IKEE OCCCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(Cl)cc1 2327785573 VKAIEMBAJPTMGC-UHFFFAOYSA-N 436.968 5.032 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccc(Cl)cc3)n2N=Cc2ccccn2)c1 2328028897 YDRXISRWGRRPQH-UHFFFAOYSA-N 447.995 5.595 30 10 IKEE COc1ccc(Cc2nnc(SCc3cccc(F)c3)n2N=Cc2ccc(C)cc2)cc1 2329256933 QIZTUACCLGNXCH-UHFFFAOYSA-N 446.551 5.500 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2ccccc2Cl)nnc1[C@@H](C)c1ccccc1 2330110312 JZAQJAUSPAHVIP-IBGZPJMESA-N 447.007 6.566 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2cccc(Cl)c2)n1N=Cc1cccc(O)c1 2330135813 FZBIEFJMZHWCOA-KRWDZBQOSA-N 448.979 5.963 30 10 IKEE C=C(C)CSc1nnc(Cc2ccccc2)n1N=Cc1ccc(Br)cc1 2330482436 NYHZIOMVFYTXFQ-UHFFFAOYSA-N 427.371 5.182 30 10 IKEE COc1cccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2-c2cccs2)c1 2330603631 OWWXMUUVIQQTAJ-UHFFFAOYSA-N 440.981 5.843 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)[C@@H](C)c1ccccc1 2330642949 VJVBJNBKWSAWTG-SFHVURJKSA-N 445.471 5.599 30 10 IKEE COC(=O)c1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2-c2ccccc2)cc1 2330645694 MXUJOHGNMDDAJW-UHFFFAOYSA-N 442.544 5.215 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1cccc(F)c1 2330675236 UUCUFYMKPMISPV-UHFFFAOYSA-N 426.443 6.103 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3ccccc3F)c(OC)c2)cc1 2330742599 AALLLNNMYWNGAO-UHFFFAOYSA-N 434.463 5.521 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)ccc1OC(=O)Cc1ccccc1F 2330794524 IUDKAPJNCAAGJO-UHFFFAOYSA-N 434.463 5.277 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2Cl)c([N+](=O)[O-])c1)c1ccccc1Cl 2330932384 OKBCFNQUQPCGAA-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE C[C@@H](C(=O)Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1[N+](=O)[O-])c1ccccc1 2331094057 NYILJYNDWVDIKZ-OAHLLOKOSA-N 437.398 5.478 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC(=O)CC1CCCCC1 2331152749 LEEHLXSRMNLMIN-UHFFFAOYSA-N 426.940 6.511 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccccn1 2331248660 JPCMFUZRONKMOM-UHFFFAOYSA-N 442.298 5.902 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)CSc3ccccc3)c([N+](=O)[O-])c2)cc1 2331276333 JRISOBHGNMIPDP-UHFFFAOYSA-N 433.485 5.497 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)c1ccccc1F 2331279378 QDZSKTSKDITSJZ-UHFFFAOYSA-N 438.882 6.302 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)CCc1ccccc1OC 2331282189 NOYKBEHCARGUKP-UHFFFAOYSA-N 444.527 5.837 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(OCC)c3)cc2)cc1 2331295813 HEWFYLKOBFGULU-UHFFFAOYSA-N 430.500 5.989 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1Br 2331320723 YEBFKGAROMGBOV-UHFFFAOYSA-N 443.381 6.838 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3Br)cc2)ccc1F 2331332002 SYCPSMGLRKWDAL-UHFFFAOYSA-N 439.280 6.012 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)c1ccccn1 2331346945 OVQGBBNSRHPECM-UHFFFAOYSA-N 431.463 5.382 30 10 IKEE Cc1ccccc1C=Nn1c(CC(C)C)nnc1SCc1ccc(Cl)c(Cl)c1 2331471071 KPUGHNQECVHGME-UHFFFAOYSA-N 433.408 6.266 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1OC(=O)CC(C)(C)C 2331532395 VEJMLHXMPCVWIS-UHFFFAOYSA-N 429.444 5.370 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)CCc1ccccc1 2331539659 CXFOQWKKKKZCSG-UHFFFAOYSA-N 444.502 5.997 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OC(=O)CCOc1ccccc1 2331571365 YRXFGJNIRQKMJY-UHFFFAOYSA-N 438.426 5.244 30 10 IKEE COCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccccc1Cl 2331612014 SUEWCYUHSDXECJ-UHFFFAOYSA-N 441.771 5.559 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)Cc2ccc(C)cc2)c(Cl)c1 2331661788 RFKWOPHNOFAUPY-UHFFFAOYSA-N 448.946 6.318 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)c1ccccc1C 2331705337 JAOBSUYONYBFFK-UHFFFAOYSA-N 430.500 5.744 30 10 IKEE C=CCc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)[C@@H]1CCCO1 2331780011 MAKVNHYIFJWSMM-QHCPKHFHSA-N 434.532 5.329 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H](C)c3ccccc3)cc2)c2ccccc12 2331866001 GBLVQVPHXFULAX-HXUWFJFHSA-N 436.507 6.454 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2cc(Cl)ccc2OC)cc1OC 2331871406 CFODJABACQRCJN-UHFFFAOYSA-N 437.319 6.002 30 10 IKEE CCCN[C@H](C#Cc1cccs1)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2363632148 PXJNWDCGXXUGSO-GOSISDBHSA-N 449.414 5.950 30 10 IKEE C=CCSc1nnc2c(n1)O[C@@H](c1ccc(OC3CCCC3)cc1)Nc1ccccc1-2 15015925 MAJOFXDSVLEPEH-QFIPXVFZSA-N 432.549 5.641 30 10 IKEE Cc1ccc(NC(=O)CCSc2n[nH]c(N/N=C/c3cccc4ccccc34)n2)c(C)c1 20905444 NVLYVMCIUOWMNS-MFKUBSTISA-N 444.564 5.142 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(C(C)C)cc1 40079474 FARNMQAJTZASGA-DEOSSOPVSA-N 435.564 5.976 30 10 IKEE COc1ccccc1CSc1nnc(N/N=C/c2ccccc2OCc2ccccc2)[nH]1 59019181 HMYDNXAIFKZLIM-MFKUBSTISA-N 445.548 5.131 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2cccc(C(=O)N3CCC(C)CC3)c2)cc1 59924885 DMMLCPGWEOUKGF-UHFFFAOYSA-N 436.596 6.160 30 10 IKEE CC/C(C)=N/Nc1nc2cc(C)c(NC(=O)c3ccc(OC)c(Cl)c3)c(C)c2s1 78400584 KXYJAMVQCBIQOU-BRJLIKDPSA-N 430.961 6.025 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1CNc1nc2ccccc2n1Cc1ccccc1C#N 95086503 AJJYXJLAKCFEGD-NRFANRHFSA-N 445.567 5.158 30 10 IKEE CCCCCC(=O)/C=C/[C@@H]1[C@H](OC(=O)c2ccc(-c3ccccc3)cc2)C[C@@H]2OC(=O)C[C@@H]21 95630335 KVAPQSSLLZXBHI-PPEGZEILSA-N 446.543 5.536 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)cc1 100153130 TUDYBZXJWGBGIB-UHFFFAOYSA-N 443.609 6.405 30 10 IKEE CCCCCCCOc1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 100155292 VDGRUTCHOUSBAL-UHFFFAOYSA-N 438.395 7.140 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)/C(=C(\O)c4ccccc4)[C@H]3c3cccs3)sc2c1 102911026 AJLACHGHSQMVBT-GOBJLOIFSA-N 446.553 5.547 30 10 IKEE CCOc1cc(/C=N/Nc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl 169877558 QWSNUHKLJJGMAC-VULFUBBASA-N 429.347 6.726 30 10 IKEE Cc1ccc(-c2csc(N/N=C\c3cccc(OCc4ccc(Cl)cc4)c3)n2)cc1 169942131 TZLXKCWIFDXJDE-WGARJPEWSA-N 433.964 6.797 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2cccc(C)c2)c1 169968707 QKTWERDLCNNPJJ-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2Cc2ccc(F)cc2)c1 169972300 RLQHBTDYQRUZIB-DEOSSOPVSA-N 440.474 5.394 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)C)cc2)[C@H]1c1cccs1 169982785 JZHWTIDGYWLLQG-QFIPXVFZSA-N 433.529 5.663 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2ccccn2)cc1 169994048 IXNLZTUOTFWTLP-JOCHJYFZSA-N 448.906 5.225 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@@H]1c1cccnc1 170006457 HZYLCUVWZSFYGN-QHCPKHFHSA-N 432.907 5.145 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@H]1c1ccncc1 170022427 GEGIRMQAFAHJLQ-HSZRJFAPSA-N 432.907 5.145 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@H]1c1ccccc1)c1cccc2ccccc12 170050039 NJSVYLKJBFVRKO-VWLOTQADSA-N 449.462 5.351 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccccc1 170051806 GUTFSPXYPGBFFE-QHCPKHFHSA-N 442.902 5.913 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1ccccc1)c1cccc(Cl)c1 170055205 GSUGPLWIWYDHPI-QFIPXVFZSA-N 435.882 5.300 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccccc1OC(C)C 170150722 LTMCPMZTFOXBNX-QHCPKHFHSA-N 432.520 5.334 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2cccs2)cc1C 170156381 MKLZUGANQXTAHA-QHCPKHFHSA-N 447.556 5.773 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@@H]1c1cccs1 170159012 PCPVARSTIFOWTO-OAQYLSRUSA-N 437.492 5.296 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccccn1)c1cc2ccccc2o1 170173903 TVWDGYATJNQJJQ-NRFANRHFSA-N 430.847 5.264 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccnc2)c1 170194086 LTDYZVFDCZDQKX-NRFANRHFSA-N 440.927 5.045 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@@H]1c1ccc(C(C)C)cc1 170245715 CUELNKLCZOFPQY-NRFANRHFSA-N 441.955 5.769 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccccc1F)c1ccc2c(c1)CCCC2 170247832 PINNJEAYFOOUNN-DEOSSOPVSA-N 445.465 5.627 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccc(O)c2)c1 170258562 GRYBRUSPFOPIOT-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccco2)cc1 170292965 VYBRJDFGOSLEIV-QHCPKHFHSA-N 446.503 5.022 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2cccc(C)c2C)o1 170302494 VXVNMGLQVLXQSI-XMMPIXPASA-N 445.515 5.775 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccc(C)o2)cc1C 170302548 PUWMNNPUCLYRNX-QHCPKHFHSA-N 431.488 5.305 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(Cl)c1)c1ccco1 170368775 PCJQPPRZXBKPNZ-GOSISDBHSA-N 430.243 5.075 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@H]1c1ccc(Cl)cc1)c1ccco1 170375336 WJUZPPSTSSAVAN-SFHVURJKSA-N 432.234 5.508 30 10 IKEE COc1ccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2Cc2cccc(C(F)(F)F)c2)cc1 170428088 RXDAPQVVNQDRIX-LJQANCHMSA-N 447.453 5.225 30 10 IKEE S=C1N(c2ccccc2)C(=Nc2ccccc2)C(=Nc2ccccc2)N1c1ccccc1 252606994 GXEVEEXXLMAMHC-UHFFFAOYSA-N 432.552 6.759 30 10 IKEE CCOC(=O)C(=NNc1ccc(C)cc1)C(=O)c1cc(C(C)=O)c(Nc2ccccc2)s1 252622893 OFDGIRDYFFEQAE-UHFFFAOYSA-N 449.532 5.217 30 10 IKEE COc1ccc(-c2cc(-c3ccccc3)nc(NN=C(C)c3ccccc3O)n2)cc1OC 254815470 BQHMMXJJTNXQJD-UHFFFAOYSA-N 440.503 5.370 30 10 IKEE Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@H]3[C@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)cc1 256762933 LQBTZXLGHXAZEI-FAEUJZKVSA-N 442.621 5.601 30 10 IKEE CCOc1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1Cl 526489271 QAJSPRGMQMWDGB-QHCPKHFHSA-N 448.881 5.807 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3Cl)[C@@H]2c2ccc(O)cc2)cc1 526489930 LAJXVFRYMYGEKC-NRFANRHFSA-N 437.282 5.628 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526518591 ZQSOKSAVKIGRES-XMMPIXPASA-N 442.946 6.566 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(C)o2)c1 526605234 PILDITFXQRGOLQ-XMMPIXPASA-N 428.488 5.696 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccc(OC(C)C)c2)c1 526607180 SNUXPVPPPVYQCK-VWLOTQADSA-N 440.499 5.411 30 10 IKEE CC(C)COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(F)cc2)cc1 526774297 ZFCSZORCOIXXPU-XMMPIXPASA-N 445.490 5.643 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1cccc(C(F)(F)F)c1 526808463 KBQSDJVIDKSWQY-WGARJPEWSA-N 432.515 6.122 30 10 IKEE CCCCCOc1ccc(/C=N\n2cnnc2SCc2ccc(Cl)c(Cl)c2)cc1 526814127 FZSFCLURNVYQKH-MXAYSNPKSA-N 449.407 6.328 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccc([N+](=O)[O-])cc1 526818210 WGDDGTXCKGXIAV-JJFYIABZSA-N 433.896 5.106 30 10 IKEE CCc1nnc(SCc2cccc(F)c2)n1/N=C\c1cc(Cl)c(OC)c(Cl)c1 526825523 YBLNBUBLEKZAED-RMORIDSASA-N 439.343 5.470 30 10 IKEE CCCCCCCCCCCCCC[C@](CC)(COC(=O)CCC)Sc1ccccc1 585665191 ZUXQOMNYMCENMO-MUUNZHRXSA-N 448.757 9.362 30 10 IKEE N#Cc1cccc(CN(C(c2ccccc2)c2ccccc2)S(=O)(=O)c2cccs2)c1 586162961 CQCZPQIZDOLZIZ-UHFFFAOYSA-N 444.581 5.600 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@H](CNC(=O)OC(C)(C)C)C(C)C)c1 698469311 GYYBZPCIBRQJPS-UXHICEINSA-N 431.577 5.426 30 10 IKEE C=CCC[C@H](NCCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 708553518 WEYVVUUUOOXGIZ-RBUKOAKNSA-N 425.411 5.219 30 10 IKEE CC1=NN(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)C1=NNc1cccc(Cl)c1 1084062367 PDHNPPFFMFTIPR-UHFFFAOYSA-N 430.320 5.308 30 10 IKEE O=C(CSc1nc2ccc(N=Cc3ccc(F)cc3)cc2s1)NC1CCCCC1 1084523868 WSBAOTYMASEIOW-UHFFFAOYSA-N 427.570 5.727 30 10 IKEE CCOC(=O)c1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1-c1ccccc1F 1614706422 NIEQFMKKUBEPHL-UHFFFAOYSA-N 446.322 5.893 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)SC1=Nc1cccc2ccccc12 1772723133 KZCJYRJVJYXURA-MPVWDOOLSA-N 430.529 5.647 30 10 IKEE C=CCOc1ccccc1/C=C1/SC(=Nc2nnc(C)s2)N(c2ccccc2)C1=O 1772734523 CLRZPEADHLTQCX-VUARGGTQSA-N 434.546 5.220 30 10 IKEE Cc1cccc(NC(=O)[C@H](C)Sc2nc(O)c(C#N)c(-c3cccc(Cl)c3)n2)c1C 1860463465 BCOCNONMKXFZGE-AWEZNQCLSA-N 438.940 5.110 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccccc1F 1862443974 VCDMHFMUHZMDOI-PGRDOPGGSA-N 443.946 6.416 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccccc2Cl)cc1 1862535942 NIECDKFYCNEMSI-JOCHJYFZSA-N 441.955 5.296 30 10 IKEE CCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccccc1 1862555295 UFXYGYNOPOLUBB-XMMPIXPASA-N 434.580 5.988 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862560462 IAXRVCGCVAKQDF-CJAUYULYSA-N 440.543 5.732 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Cl)c2)cc1 1862661906 UATAWBJNCUNCGX-QHCPKHFHSA-N 446.934 5.637 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1Br 1862681234 VRBFTVQDRTWRCX-IBGZPJMESA-N 446.316 5.213 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1c(Cl)cccc1Cl 1862717038 VHPRBMYMXKDXIU-FQEVSTJZSA-N 426.299 5.745 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cc(Cl)cc(Cl)c1 1862720797 FETVZXFHVKYOTF-OAQYLSRUSA-N 440.326 6.135 30 10 IKEE CCCCc1ccc(NC2=C(c3ccccc3F)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862934054 KJNKRVLFRMGMPS-UHFFFAOYSA-N 439.490 5.437 30 10 IKEE CC(C)(C)c1csc(NC(=O)c2ccc(COc3ccc4c(c3)CCCC4)cc2)c1C#N 1865787892 SIJWDRPRSPMATQ-UHFFFAOYSA-N 444.600 6.627 30 10 IKEE Cc1ccccc1-c1nc(Nc2ccccc2C#N)cc(N2CCO[C@H](c3ccccc3)C2)n1 1868306196 BAPHVALZRBPOHQ-VWLOTQADSA-N 447.542 5.645 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)CCc2ccc(CC)cc2)n(-c2ccccc2Cl)n1 1870003931 OKGXRSNSGAWIIJ-UHFFFAOYSA-N 449.986 5.233 30 10 IKEE CCCCCCCCn1cc(OCCCOc2ccccc2)c(=O)cc1CSCC 1870172179 OJNBXJUPUAORPX-UHFFFAOYSA-N 431.642 6.310 30 10 IKEE C=CCOc1cn(Cc2ccco2)c(CSc2nc3ccccc3n2CCC)cc1=O 1870245732 BTXGWSYKEDEJSD-UHFFFAOYSA-N 435.549 5.106 30 10 IKEE CCCCCCCCn1cc(OCC2CCCCC2)c(=O)cc1CSc1ccccn1 1870275643 BSEWBLWTPVISKU-UHFFFAOYSA-N 442.669 6.855 30 10 IKEE CCCCCCCCn1cc(OCCC)c(=O)cc1CNc1ccc(N2CCCC2)cc1 1871105348 NZSISLUSRNQXBC-UHFFFAOYSA-N 439.644 6.210 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3c(ccc4c3CN(CCC3=CCCCC3)CO4)C2=O)c1 1871348935 DOHSGWYQJGJMEZ-MYYYXRDXSA-N 447.531 5.362 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc4c(c1)OCO4)C3=O)CN(C1CCCCCC1)CO2 1871353359 NGSFMRGWPMUSLJ-KSEXSDGBSA-N 433.504 5.215 30 10 IKEE Cc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(CCCCc1ccccc1)C3 1871354370 OORJTHMVQJZQJE-ONUIUJJFSA-N 439.555 6.094 30 10 IKEE Cc1cc(OC(=O)c2ccc(C(F)(F)F)cc2)cc2c1C(=O)/C(=C/c1cccnc1)O2 1871376197 YIGFFUGTBBQYEQ-GRSHGNNSSA-N 425.362 5.244 30 10 IKEE CCCCN(CC)Cc1c(O)cc(C)c2c1O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 1871395794 OHFWARRZCPEISE-ITYLOYPMSA-N 441.571 6.606 30 10 IKEE CCOc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2)C3=O)cc1 1871408745 ZICRWAIEAMYGQN-HZRSJKMUSA-N 429.472 5.108 30 10 IKEE CCCCCCOC(=O)COc1ccc2c(c1)O/C(=C\c1cn(C)c3ccccc13)C2=O 1871422095 SMRDWOAGRXZOML-OYKKKHCWSA-N 433.504 5.297 30 10 IKEE CC(=O)c1cccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2)C3=O)c1 1871425918 JUIVJEJGXNUSGQ-DNNAEVNTSA-N 441.483 5.220 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C(C)C)cc4)ccc3C2=O)cc1 1871435567 SFUMXXBCUZKMOM-QFEZKATASA-N 427.500 5.752 30 10 IKEE Cc1ccc2oc(=O)cc(COc3cc(C)c4c(c3)O/C(=C\c3ccccc3F)C4=O)c2c1 1871460297 FKCZSRDKBNOJKM-MYKKPKGFSA-N 442.442 5.744 30 10 IKEE CCCCCCCCN=c1nc(N2CCCCCC2)[nH]c(=Nc2cccc(Cl)c2C)[nH]1 1871491631 JQIBGIXMOSVUIA-UHFFFAOYSA-N 445.055 5.574 30 10 IKEE CCCCCCCCNC(=O)c1ccc2nc(-c3ccc(OC(C)C)c(OC)c3)[nH]c2c1 1872735851 CSEWMYSBPCSEAQ-UHFFFAOYSA-N 437.584 6.116 30 10 IKEE N#C[C@@H](C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(-c2cccs2)cs1 1872774118 HUHOEDWHJTXQPS-LBPRGKRZSA-N 446.397 6.399 30 10 IKEE N#C[C@@H](C(=O)C12CC3CC(CC(C3)C1)C2)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872787243 FEWTVAHJOXQHAA-OPCFLAAUSA-N 431.388 6.510 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4ccccc4)cc3)n2)cc1C 1872787717 PYRZIVLEVUVVNY-QHCPKHFHSA-N 438.552 6.593 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(OCC(C)C)c3)n2)cc1Cl 1872789335 GFFUTPDNSJPYTA-SFHVURJKSA-N 440.952 5.997 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc2nc(Cc3cccc4ccccc34)[nH]c2c1 1872811550 XBGUDUOVIPRVQY-UHFFFAOYSA-N 441.619 7.177 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(Cl)cc2)C(=O)N(C2CCCCC2)C1=O 1873138604 YENCLSJKGDHLQU-UHFFFAOYSA-N 445.047 6.483 30 10 IKEE CCCCCCCCCCNC1=C(c2cc(C)ccc2C)C(=O)N(CCCCCC)C1=O 1873150716 IVDXINLJQHSUIH-UHFFFAOYSA-N 440.672 6.694 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(Cl)cc(Cl)c2)=C(c2cccnc2)C1=O 1873268843 IFMIZZJXFGBCNO-UHFFFAOYSA-N 446.378 5.941 30 10 IKEE C=CCN1C(=O)C(Nc2cc(C)ccc2OCC)=C(c2c(Cl)cccc2Cl)C1=O 1873289351 JIXHMUQYRUTRGQ-UHFFFAOYSA-N 431.319 5.079 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(OCCCC)cc2)cc2c(N3CCCCCC3)ncnc21 1873655494 GXGMZAGGHJIYFH-UHFFFAOYSA-N 447.583 5.429 30 10 IKEE CCCCCCCCNC(=O)CCc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O 1873891680 JSAVAXLNPVOEKV-UHFFFAOYSA-N 425.569 6.182 30 10 IKEE C=CCSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1ccccc1 1874198764 RMMNDAOYXLBUQV-LGUFXXKBSA-N 428.561 5.603 30 10 IKEE CCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc(C(C)(C)C)cc1 1874231932 JAHGZBLCVVKQDP-TURZUDJPSA-N 442.632 6.508 30 10 IKEE Cc1cccc(OCCCc2nnc(SCCc3ccccc3)n2/N=C/c2ccco2)c1 1874246857 AEUUYDFWMODTDO-LGUFXXKBSA-N 446.576 5.408 30 10 IKEE C=CCSc1nnc(CCc2ccccc2OC)n1/N=C/c1ccccc1OC(C)C 1874313868 RGMVBISSLDPYMK-KOEQRZSOSA-N 436.581 5.019 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(COc3ccc(C)c(C)c3)nnc2SC)cc1 1874318885 NYVMGDHUIMFQNZ-PCLIKHOPSA-N 438.597 5.647 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccc(C)c(C)c3)n2/N=C/c2ccccc2)cc1 1874328934 NPWWZNYPEVRUBD-MTDXEUNCSA-N 440.616 6.163 30 10 IKEE Clc1ccccc1CSc1nnc(CCc2cccs2)n1/N=C/c1ccncc1 1874371196 OCCHLNPQEKASGZ-ZVHZXABRSA-N 439.997 5.348 30 10 IKEE Fc1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCc2cccc(F)c2)cc1 1874377840 QUXOZSGOMJAPNZ-MZJWZYIUSA-N 438.478 5.461 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1ccc(Cl)cc1Cl 1874379612 CAPJSRQDZDFFFY-BHGWPJFGSA-N 435.355 5.865 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3Cl)n2/N=C/c2cccc(C)c2)cc1 1874388974 FDYOYLDTNQQNCS-JVWAILMASA-N 447.007 6.314 30 10 IKEE Cc1cccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2cccc(C)c2)c1 1874402302 RTQAELSZGXCLIK-OVVQPSECSA-N 426.589 5.855 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2c[nH]c3ccccc23)cc1 1874454625 QIKHCTWDJPOGQI-AFUMVMLFSA-N 446.536 5.500 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2ccc(C(C)C)cc2)cc1C 1874517708 HYCVCSNTSOSKTQ-VULFUBBASA-N 447.608 5.509 30 10 IKEE CCCCOc1ccc(/C=N/n2c(C)nnc2SCc2c(F)cccc2Cl)cc1 1874534775 AGWKNMSBTJCOIK-ZMOGYAJESA-N 432.952 5.732 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc(C(C)C)cc2)c1 1874583200 BQVNFFVCBQHDMI-BUHFOSPRSA-N 427.544 6.340 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3ccccc3c2/C=C/C(=O)c2ccc(F)cc2)cc1 1874584082 VTOCWKXKXJTHAQ-FOCLMDBBSA-N 439.486 6.201 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC)c2OCc2cccc(C)c2)cc1C(C)C 1874585550 WANXYKGVVASZQV-BUHFOSPRSA-N 444.571 6.919 30 10 IKEE Cc1cccc(COc2ccc(Br)cc2/C=C/C(=O)c2ccc(C)c(C)c2)c1 1874588328 HJSXGTUHRTZOLK-PKNBQFBNSA-N 435.361 6.849 30 10 IKEE CCCOc1ccc(Br)cc1/C=C/C(=O)c1ccc(OCC)cc1OCC 1874589538 QKHOXHDLRGTBTO-YRNVUSSQSA-N 433.342 5.931 30 10 IKEE C=C(C)COc1c(OC)ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)c1Br 1874600613 VEXPRVPYIDGYCH-VQHVLOKHSA-N 429.354 6.234 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(OC)c(OCc2cc(C)ccc2C)c(OC)c1 1874610097 AGYUAXJWEZRASQ-OUKQBFOZSA-N 432.516 5.804 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1 1874616666 NEGRNIXAIYPMEU-FZSIALSZSA-N 433.479 5.528 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OCC(=O)N[C@@H](C)c1ccccc1 1874620337 URIBXULVJFBHTI-CWIMXHLESA-N 447.506 5.295 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)c1ccc2c(c1)OCO2 1874621441 WWTJQXZWUXNSBI-FPYGCLRLSA-N 427.283 6.197 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OCC(=O)NCc1ccco1 1874625348 YWCXCNPOMQMKLT-WUXMJOGZSA-N 433.504 5.003 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)ccc1OCc1ccccc1 1874634391 ZMIFPWVUOGFIFD-ZRDIBKRKSA-N 436.935 6.531 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1cccc(/C=C/C(=O)c2ccccc2Cl)c1 1874696965 OZZOGISIQTXVDU-CCEZHUSRSA-N 436.891 5.619 30 10 IKEE C=CCN(CC=C)CCC(=O)c1ccc(OC(=O)CCCOc2ccccc2Cl)cc1 1874744465 DQGUMUQZLGWGMU-UHFFFAOYSA-N 441.955 5.351 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)c1cccc([N+](=O)[O-])c1 1875084815 AUQLGYQZEGEWAK-IZZDOVSWSA-N 442.254 6.017 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(OC)c1OC(=O)CC(C)(C)C 1875096054 UIDAVOVCCGZBHZ-NTCAYCPXSA-N 442.555 6.815 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OC(=O)[C@@H](C)c1ccccc1 1875115345 ZESKXANHOZTQJS-XLCPLWEUSA-N 430.500 5.699 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)CCc1ccccc1C 1875120367 QQHBDHRMARTMMW-NTCAYCPXSA-N 430.500 5.447 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1Cl 1875128139 PFRLEGUDSORSON-FYWRMAATSA-N 434.919 6.309 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)Cc1cc(C)ccc1C 1875134387 QLTLGHRRWFYONN-FMIVXFBMSA-N 428.528 5.973 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 1875135221 GPBTVQWDXLBJFM-KPKJPENVSA-N 442.254 6.017 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(C)c3)c(Cl)c2)cc1 1875137543 RJEJCTJSRWELIN-NTUHNPAUSA-N 434.919 6.553 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)c1ccccc1OC 1875140194 UWSDLORVGUNFOQ-WYMLVPIESA-N 430.500 5.826 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC(=O)Cc1cccs1 1875145892 YEXVVUZEHZDYRL-CSKARUKUSA-N 436.529 5.508 30 10 IKEE CC(C)(C)C(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1Br 1875149671 BEEUTEDVLHQPHU-QPJJXVBHSA-N 431.282 5.025 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)Cc1ccc(C)cc1 1875157835 QNPVACWOQVDFLI-KPKJPENVSA-N 438.882 5.840 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3)cc2)cc1 1875159278 LDGGINVISYHFPW-KGENOOAVSA-N 442.555 7.151 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OC(=O)C1CCC1 1875160400 OKVITGTVWCTCDK-JLHYYAGUSA-N 436.548 5.993 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)ccc1OC(=O)C(C)C 1875164474 LUSKXIBVGAEUIR-MHWRWJLKSA-N 430.500 6.335 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc([N+](=O)[O-])c1OC(=O)C(C)C 1875167090 OMXDSDMOGQKOCW-CSKARUKUSA-N 441.480 5.076 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)COc1c(C)cccc1C 1875179111 TWOBPPPKMWYXCJ-JLHYYAGUSA-N 444.527 5.809 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2ccc(OC(=O)c3cnc(C)cn3)cc2)cc1Cl 1875185583 GEWJLZPUMCNGRW-VMPITWQZSA-N 443.286 5.216 30 10 IKEE CC[C@@](C#N)([C@@H](C)NC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)c1ccccc1OC 1944150541 OOCMGGUHIXDGAL-WAIKUNEKSA-N 433.549 5.022 30 10 IKEE N#Cc1ccc([C@H](CCCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)s1 1951656073 XANIZKURPSSJIR-QFIPXVFZSA-N 446.528 5.454 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@H]1C[C@@H]2C[C@@H]2C1 2004665864 PUZDBZLUPRAJCA-VHJOFQCFSA-N 428.617 5.067 30 10 IKEE CCCN[C@@H](CC#C[Si](C)(C)C)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2014171786 USYSFYWNRNQLCX-ACIOBRDBSA-N 446.708 5.124 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)C2(C#N)[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)c1 2037936500 QNRDHPSMNDXKDV-VXKWHMMOSA-N 433.596 5.787 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(NCc2occc2B2OC(C)(C)C(C)(C)O2)c(Cl)c1 2039820624 DJFIFTPYGHKNEW-UHFFFAOYSA-N 448.756 5.191 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)C[C@H](C)C1 2041559983 NWPMXJANDUVGBR-CJAUYULYSA-N 443.588 5.666 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](O)c2c(Br)ccc(Cl)c2F)C1 2063050194 GMYHSOOGOJCKBO-OAHLLOKOSA-N 434.733 5.136 30 10 IKEE C=CC[C@H](C)[C@@H](NC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071357648 RCYVRQRLGDFDDD-TXQOIQMMSA-N 431.576 5.678 30 10 IKEE CC(C)[C@H](c1ccc(C2CC2)cc1)n1nc(C(C)(C)C)c(C#N)c1I 2079063567 KJUXPNUMFABZNN-GOSISDBHSA-N 447.364 5.780 30 10 IKEE CCCc1ccc([C@H](CC)n2nc(C(F)(F)F)c(C#N)c2I)cc1 2079902939 FMJGIDDARHQPLY-AWEZNQCLSA-N 447.242 5.330 30 10 IKEE CCCN[C@H](CC#CCOC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134732976 BEZVJDLIYFDCRF-HHHXNRCGSA-N 443.587 5.925 30 10 IKEE CC(C)C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)Nc1ccccc1Br 2149844435 RUNMHIKZZKLWLD-KKSFZXQISA-N 436.394 5.426 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]2CC[C@]21CNc1cc(Br)c(C#N)cc1F 2162331050 XJUXDOORRWLEPN-XOBRGWDASA-N 438.341 5.051 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@@H](N)C#Cc2cccc(Cl)c2)cc1Br 2231007301 XPDAERWBPVBKON-KRWDZBQOSA-N 435.749 5.501 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)cc(F)cc1Br 2233950757 CXGVIXAETULRLN-FUHWJXTLSA-N 447.364 5.628 30 10 IKEE CN[C@@H](C#Cc1ccccc1Br)c1cccc(C)c1NC(=O)OC(C)(C)C 2235727473 LCVLTDMDCSTBFQ-IBGZPJMESA-N 429.358 5.417 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](C[C@H](O)C#Cc1ccccc1Br)C1CCCCC1 2235740219 NJSQZSYMOWTXEL-QUCCMNQESA-N 436.390 5.025 30 10 IKEE CC(C)(C)N(Cc1ccccc1)C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2243429223 ZIXZKIGOCYVYEY-UHFFFAOYSA-N 433.810 5.142 30 10 IKEE Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)[C@H]1C[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2255846438 QMCYNQBOSNTVTF-IYBDPMFKSA-N 430.354 5.153 30 10 IKEE CC(C)(C)CN(Cc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2255953880 PPHWBNXIZXZFEU-UHFFFAOYSA-N 441.808 5.328 30 10 IKEE C=CCCCCCC[C@@H](N)[C@@](C)(O)c1cc(Br)c(Br)s1 2281229924 CTOUTLHLJSVLSD-IUODEOHRSA-N 425.230 5.335 30 10 IKEE CCCN[C@@H](C#CC1CCCC1)c1ccc(Br)cc1I 2289693855 QJGQGYWOCPNHGO-KRWDZBQOSA-N 446.170 5.288 30 10 IKEE CC(C)CN(Cc1c(O)ccc2c1OC(=Cc1c(F)cccc1Cl)C2=O)CC(C)C 2296596547 HNJWVSUANJKIDK-UHFFFAOYSA-N 431.935 5.915 30 10 IKEE O=C1NC(=Nc2ccc(Cl)cc2)SC1=C1C(=O)N(Cc2ccccc2)c2ccccc21 2296826684 BTMOZMHKLNRTCM-UHFFFAOYSA-N 445.931 5.149 30 10 IKEE Cc1ccccc1N=C1SC(=C2C(=O)N(C)c3ccccc32)C(=O)N1c1ccccc1C 2296826752 MVLAYSHQJMDJKV-UHFFFAOYSA-N 439.540 5.459 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1 2313500000 WSTZXJMFOIBGTF-UHFFFAOYSA-N 436.305 5.606 30 10 IKEE COc1cc(C=C2SC(=Nc3ccc(F)cc3)NC2=O)ccc1OCc1cccc(C)c1 2313558125 UAZRDKUFHUSGDU-UHFFFAOYSA-N 448.519 5.613 30 10 IKEE COc1ccc(OC)c(C=C2SC(=Nc3cccc(C)n3)N(C3CCCCC3)C2=O)c1 2314540315 NUJLVYYZGNOFNY-UHFFFAOYSA-N 437.565 5.344 30 10 IKEE Cc1cccc(N=C2SC(=CC=Cc3ccccc3[N+](=O)[O-])C(=O)N2C2CCCCC2)n1 2314540387 OZBCQJBVZZASHN-UHFFFAOYSA-N 448.548 5.791 30 10 IKEE COc1ccc(OC)c(C=C2SC(=Nc3nc(C)cs3)N(C3CCCCC3)C2=O)c1 2314544233 WRZMYKGDDZGKHE-UHFFFAOYSA-N 443.594 5.405 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=CC=Cc1ccccc1)O3)CN(Cc1ccc(Cl)cc1)CO2 2321958352 YAYNIJOCZHWLRL-UHFFFAOYSA-N 443.930 6.173 30 10 IKEE CCCCCCCCN1COc2ccc3c(c2C1)OC(=Cc1ccccc1OCC)C3=O 2322183769 OCJQVPWYJKVYBQ-UHFFFAOYSA-N 435.564 6.214 30 10 IKEE COC(=O)c1ccc(COc2ccc3ccccc3c2C=CC(=O)c2ccc(Cl)cc2)o1 2322528504 VYKMGCRFEUYFSO-UHFFFAOYSA-N 446.886 6.348 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(Cl)cc2)c1OCCc1ccccc1 2322528672 ZOSPQYIXICXJCD-UHFFFAOYSA-N 427.327 6.520 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(C)cc2C)c1OCc1cc(C)ccc1C 2322572681 GTLYWWRMWTXSAB-UHFFFAOYSA-N 434.963 7.057 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccc(C)c(C)c2)c1 2322659581 VTZVDBJSNQXQRC-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OC(=O)Cc4ccccc4)ccc3C2=O)cc1 2322884632 VORPLPDUOJLROM-UHFFFAOYSA-N 427.500 5.297 30 10 IKEE CCOc1c(Br)cc(C=NNc2ccc(Cl)cc2)cc1Br 2322953169 VKGHGPCUPWVXSS-UHFFFAOYSA-N 432.543 5.710 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)NCc2ccco2)c2ccccc12 2323009079 GTFONFUCYJWAOX-UHFFFAOYSA-N 441.483 5.033 30 10 IKEE Cc1c(OC(=O)c2ccc(F)c(F)c2F)ccc2c1OC(=CC=Cc1ccccc1)C2=O 2323127241 ASMKWCMLUDSKST-UHFFFAOYSA-N 436.385 5.804 30 10 IKEE Cc1cc(OC(=O)c2cccc(F)c2)cc2c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O2 2323301563 LLBSGYPIVMTGTH-UHFFFAOYSA-N 443.257 6.276 30 10 IKEE O=C(COc1cccc(C=CC(=O)c2cc(Cl)ccc2Cl)c1)Nc1nccs1 2323327797 VCJRZXIOKCKTNY-UHFFFAOYSA-N 433.316 5.364 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 2323503168 ULXZJUKTGFQGII-UHFFFAOYSA-N 447.487 5.786 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1cccc(Cl)c1 2323766028 CGVVCZURKXNSCU-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OCC(=O)N[C@@H](C)c1ccccc1 2323777669 RUBPNHMNVAWPNR-SFHVURJKSA-N 449.934 5.501 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1ccccc1 2323809317 YSZRPNXFCVYISW-UHFFFAOYSA-N 427.725 6.578 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OCc2cc(C)ccc2C)c([N+](=O)[O-])c1 2323997425 IYGHFACZUMYAGM-UHFFFAOYSA-N 431.488 6.004 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OCc1ccccc1C 2324335563 IBWJTOUUDYCECC-UHFFFAOYSA-N 444.571 6.721 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2324478080 OXIPRLXXSSVFCZ-INIZCTEOSA-N 447.918 5.925 30 10 IKEE CCCOC(=O)COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1[N+](=O)[O-] 2324573786 YVSLKFBOURJTIM-UHFFFAOYSA-N 439.508 5.429 30 10 IKEE COc1ccc(Br)cc1C=C1Oc2cc(OCCC(C)C)cc(C)c2C1=O 2324640150 HWRZMJLDKULDFL-UHFFFAOYSA-N 431.326 5.807 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)OC(=Cc1cccs1)C2=O 2325142015 PPNAWHYVEIJQOK-QGZVFWFLSA-N 433.529 5.696 30 10 IKEE Cc1ccc(CCOc2cc(C)c3c(c2)OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)cc1 2325372652 DAYQPLCMWBAQRT-UHFFFAOYSA-N 426.556 6.839 30 10 IKEE CC(C)Oc1cccc(C=CC(=O)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1 2325669925 WUWZFYVTINNRAX-UHFFFAOYSA-N 435.907 6.141 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1 2325715949 MZJMOVSGKPTNPF-UHFFFAOYSA-N 441.527 6.061 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC(=O)c2cccc(C)c2)c1 2325752738 ZXQXQTGHIWNJDW-UHFFFAOYSA-N 428.528 6.416 30 10 IKEE CCCCC(=O)Oc1cc(C=CC(=O)c2cc(OC)c(Cl)cc2OC)ccc1OC 2325758715 DMNVJYAOVLOZBV-UHFFFAOYSA-N 432.900 5.358 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1cccc(C=CC(=O)c2c(C)cc(C)cc2C)c1 2325764669 DJKPBTGQHKQUSB-UHFFFAOYSA-N 434.919 6.389 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1ccccc1 2325904783 APMMERDPGJBNHR-UHFFFAOYSA-N 434.609 6.013 30 10 IKEE CCCCCCCCCOc1cccnc1NC(=O)C=Cc1ccc(Cl)cc1Cl 2326801711 ATENYBQLQAUZOE-UHFFFAOYSA-N 435.395 7.170 30 10 IKEE CCCCOc1ccc(C=Nn2c(CCCOc3ccc(C)cc3)nnc2SC)cc1 2327141618 CWGWHXXBOGYTGF-UHFFFAOYSA-N 438.597 5.381 30 10 IKEE Cc1ccc(OCc2nnc(SCc3cccc(F)c3)n2N=Cc2cccn2C)c(C)c1 2328895818 VXDILOYZLIFVFX-UHFFFAOYSA-N 449.555 5.126 30 10 IKEE CCCOc1ccc(C=Nn2c(COc3ccc(C)cc3C)nnc2SCCC)cc1 2328904659 KRQJKWLFZIPXNZ-UHFFFAOYSA-N 438.597 5.647 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2ccc(O)cc2O)cc1C 2329423832 CTNASTDDSDKQMC-UHFFFAOYSA-N 444.560 5.071 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(F)cc3)n2N=Cc2cccc(O)c2)cc1 2329799727 DHSVOXDDHNQDET-UHFFFAOYSA-N 432.524 5.197 30 10 IKEE COc1ccccc1C=Nn1c(Cc2ccc(C)cc2)nnc1SCc1ccc(F)cc1 2329942934 IMTPEFQCXPRIDF-UHFFFAOYSA-N 446.551 5.500 30 10 IKEE Cc1ccccc1CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1ccc(O)cc1 2330057997 QITMUUIGLSKNCT-IBGZPJMESA-N 428.561 5.618 30 10 IKEE C=C(C)CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1c(OC)ccc2ccccc12 2330101659 CMNANIGFINYJFR-LJQANCHMSA-N 442.588 6.142 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)[C@@H]1[C@@H]2CCC(F)(F)[C@@H]21 2330652603 NZSZCUJGBCOPRO-VGWMRTNUSA-N 427.289 5.374 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1)c1ccc2c(c1)CCCC2 2330678544 KLIPEDJWLGZNCP-UHFFFAOYSA-N 432.519 6.834 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3cccs3)c(Br)c2)c1 2330784305 LPJRFQNKVRYWCK-UHFFFAOYSA-N 443.318 5.635 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-])c1ccncc1 2330810589 YVIGFINYSWUJEA-UHFFFAOYSA-N 443.242 5.412 30 10 IKEE CCOc1cc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccc(F)cc2)ccc1O 2330819453 RBMOSEURRYMUEP-UHFFFAOYSA-N 442.560 5.285 30 10 IKEE Clc1cccc(C=Nn2c(SCc3cccc4ccccc34)nnc2[C@H]2CCCO2)c1 2330977186 VUIQEQCTZUZWCP-JOCHJYFZSA-N 448.979 6.111 30 10 IKEE CCc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2[C@H]2CCCO2)cc1 2330979721 UFCFAVYVOMNYPW-XMMPIXPASA-N 442.588 6.020 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)c(C)c3)c(OC)c2)cc1 2330990169 RRFKGVJTDRPXND-UHFFFAOYSA-N 434.463 5.196 30 10 IKEE C=C(C)CSc1nnc(C2CCCC2)n1N=Cc1ccc(OCc2ccccc2C)cc1 2331069206 KMQFYGAGVBYFEJ-UHFFFAOYSA-N 446.620 6.374 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1Br)c1ccccn1 2331092913 VPUWZZVRTJRTMW-UHFFFAOYSA-N 444.231 5.238 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OCC)cc2)cc(OC)c1OC(=O)c1cccs1 2331211522 WMYRBCVKZFPRTJ-UHFFFAOYSA-N 448.540 5.999 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccccc1F 2331430493 AECCVBLJFRNIJP-UHFFFAOYSA-N 432.491 6.247 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(F)c2)ccc1OC(=O)[C@H](C)c1ccccc1 2331463966 KCHGIQXRCXTBSF-GOSISDBHSA-N 448.490 5.838 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccccc3C)nnc2C2CCC2)cc1OC 2331489817 FWPFVPQVJMOEJV-UHFFFAOYSA-N 436.581 5.436 30 10 IKEE Cc1ccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CCC2)cc1 2331541952 ZPKOAVYFKKLPGK-UHFFFAOYSA-N 431.392 6.335 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)c1cnccn1 2331801281 XOWPNFBMXKXLMY-UHFFFAOYSA-N 444.531 5.597 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)ccc1OC(=O)c1ccccn1 2331869976 CDXIIDZBCPJAPR-UHFFFAOYSA-N 439.467 5.367 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)ccc1OC(=O)CC(C)(C)C 2331870001 KJJFZMPMTYHRSM-UHFFFAOYSA-N 432.516 6.095 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c3ccccc23)cc1OC 2331871102 VCYKISHBQFHJJM-UHFFFAOYSA-N 446.543 6.629 30 10 IKEE CC1(C)OB(C=Cc2ccc(NCC3CCN(Cc4ccccc4)CC3)nc2)OC1(C)C 2339574574 JZKSXTILVWUFML-UHFFFAOYSA-N 433.405 5.050 30 10 IKEE CC(C)(C)OC(=O)N[C@@]1(C)C[C@H]2CC[C@H]1C[C@]2(C#N)Nc1ccc(Br)cc1 2381196028 HLXQNDNBQLFUHG-XSRQCEPYSA-N 434.378 5.227 30 10 IKEE CCOc1cccc(/C=N/c2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)c1O 1950153 PBQBPBNLNDCNDR-BRJLIKDPSA-N 427.287 6.657 30 10 IKEE C=CCNC(=O)c1cccc2c1N[C@@H](c1c3ccccc3cc3ccccc13)[C@@H]1CC=C[C@H]21 14549273 ZHAPOXRISCLZND-FLFAWLEMSA-N 430.551 6.735 30 10 IKEE Cc1ccc(C(=O)C[C@H]2S/C(=N\c3ccccc3C)N(c3ccccc3C)C2=O)cc1 15055229 BKCDFYNLWFLJTQ-IHZKLZTASA-N 428.557 6.021 30 10 IKEE COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@@H]3c2ccccc2C)cc1 17099617 LIFPMYNMWAFGEK-XHCCPWGMSA-N 435.527 5.769 30 10 IKEE C=CCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCC=C 31394408 ZBVFUPOBBYHTFC-UHFFFAOYSA-N 442.640 7.834 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 35521103 SLOKSQVDOOWFQA-SWGQDTFXSA-N 437.835 5.372 30 10 IKEE Cc1cc2nnc(S[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCC4)n2c2ccccc12 40170146 XHHCRXVTMFRZGS-AWEZNQCLSA-N 447.589 5.122 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O3)CN([C@@H](C)c1ccccc1)CO2 41648417 IAEZRKBWJHLPBE-ICODJCHTSA-N 442.471 5.433 30 10 IKEE CCOc1ccccc1C(=O)Nc1cc(Cl)c([C@H](C#N)c2ccc(Cl)cc2)cc1C 59240239 PKZREHGRPIKUBG-HXUWFJFHSA-N 439.342 6.608 30 10 IKEE C/C(=N\Nc1nc(SCc2ccc(Cl)c(Cl)c2)n[nH]1)c1ccc([N+](=O)[O-])cc1 59311325 XXFOTUSUWZHZEZ-UFFVCSGVSA-N 437.312 5.148 30 10 IKEE COc1cccc2c(C)c(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)oc12 97542506 NLRTVVXPZAIYSC-UHFFFAOYSA-N 426.472 5.761 30 10 IKEE CCCCCCCOc1ccc(NC(=O)CNc2ccc(Oc3ccccc3)cc2)cc1 100059973 XNQVXNPVZAYHJZ-UHFFFAOYSA-N 432.564 6.879 30 10 IKEE CCCCCCCCCCn1c(CCCNC(=O)Cc2ccccc2)nc2ccccc21 102155882 KDQDZDBXYPJKEE-UHFFFAOYSA-N 433.640 6.469 30 10 IKEE N#Cc1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 115383552 JSOFFFHIWDSFCO-UHFFFAOYSA-N 431.344 5.256 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2C)c1 169937058 PSQXAVYQHRSYAY-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE CCOC(=O)Cc1csc(N/N=C\c2cc(Cl)c(OCC(C)C)c(Cl)c2)n1 169942617 RWDJDUKTHXTTSJ-WNFQYIGGSA-N 430.357 5.036 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@@H]1c1cccnc1)c1ccc(Cl)cc1 170008250 BNNZNNQHLWBILY-HSZRJFAPSA-N 440.886 5.671 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 170052703 CKPXFGSWYKHTQR-JOCHJYFZSA-N 433.891 5.522 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2c2ccc(F)cc2)c1 170140550 YFVJGUUCLQJMBN-VWLOTQADSA-N 441.502 5.796 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2cccs2)c(C)c1 170158278 XOKSXMFGIBHVJN-QFIPXVFZSA-N 433.529 5.465 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1cccc(OCC)c1 170218128 NASSHOQSSNLBDJ-HSZRJFAPSA-N 435.564 5.680 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C2CCCC2)c1 170218725 JHQZNULRXZOWAC-RUZDIDTESA-N 441.527 5.759 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(F)cc2)cc1C 170240020 ROELYNRDXJEUKE-XMMPIXPASA-N 445.490 5.542 30 10 IKEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(C(C)C)cc1 170244523 KHJJBUSTODIAFM-DEOSSOPVSA-N 429.516 5.188 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2F)cc1 170249153 FYYYGPYJWWOUQR-DEOSSOPVSA-N 445.490 5.643 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C2CCCCC2)cc1 170266572 UQQVIORSYMZOGF-SANMLTNESA-N 443.587 6.039 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)C[C@H](C)O3)=C(O)C(=O)N1c1ccc(F)cc1 170271289 OQKRHYKPBBNYEO-FYSMJZIKSA-N 443.474 5.240 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1Cc1cccs1 170312610 ABBOGSXOKDVXGV-KRWDZBQOSA-N 429.950 5.550 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2sccc2C)c1 170316354 JEAQZWZMOWLSSN-SFHVURJKSA-N 443.908 5.090 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)cc1 170326947 AVAALOVSJPZBFO-LJQANCHMSA-N 443.883 5.332 30 10 IKEE CN1C/C(=C\c2ccc(C(F)(F)F)cc2)C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)C1 218301132 SKRGGMSNWKYRIW-OTYYAQKOSA-N 425.372 5.706 30 10 IKEE COc1ccc(C=NN=C2SC(=N\C(C)(C)C)/C(=N/C(C)(C)C)N2c2ccccc2)cc1 252621730 NFRLCTNVQZPKGY-GKWHEPIHSA-N 449.624 6.033 30 10 IKEE CC(=O)ON=C(C)[C@]12C[C@H]1C[C@@H]1[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C 253532395 GGQIDQJAIYDGEX-JGDZRIMMSA-N 427.585 5.436 30 10 IKEE CN(C)c1ccc(/C=C/C=N/N=C2\CC[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]23C)cc1 253534356 KJCIEPRMJJUJPF-JPRKBPNASA-N 445.695 7.625 30 10 IKEE O=C1/C(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)SC(=Nc2ccccc2)N1c1ccccc1 254379817 JSBIVTUUISRGHS-QNIYZRLESA-N 445.456 5.132 30 10 IKEE Cc1cc(/C=C2\SC(=Nc3ccccc3)N(C3CCCC3)C2=O)c(C)n1-c1ccccc1 254500728 ZXYDPQJUMBBESA-SBEYKLCGSA-N 441.600 6.641 30 10 IKEE COC(=O)c1ccc(-c2ccc(C=Nc3ccc(O)c(-c4nc5ccccc5o4)c3)o2)cc1 254799571 ZLTJOFHBQOAPIS-UHFFFAOYSA-N 438.439 5.998 30 10 IKEE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@H]1c1ccc(C)cc1 526491484 OFSIVOMPPKMQPZ-DEOSSOPVSA-N 440.499 5.331 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1/N=C\c1ccc(OC)c(O)c1Cl 526799640 IFQRICNZPDLTIC-QRVIBDJDSA-N 430.961 5.163 30 10 IKEE N#Cc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2c[nH]c3ccccc23)cc1 526823445 KWWDMSJVXIFQGJ-RHANQZHGSA-N 448.555 5.396 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)/C=C/c3ccc(F)cc3)C2)c1 586001228 DUCBEENHPHTKJO-AIIPKAINSA-N 449.570 5.098 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@H](C#N)c1cc(Br)c(Cl)s1 698928945 HFVBJXDTEMBQFW-AWEZNQCLSA-N 447.826 6.689 30 10 IKEE CC(C)[C@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 698948168 WJIOZMPIYANWDS-RBUKOAKNSA-N 435.540 5.256 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]([C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 699658885 LBANDZILHBDERD-BXKMTCNYSA-N 447.551 5.497 30 10 IKEE C=CCCCCC[C@H](NCCC)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 702455399 ARMDOKGXSZUHRB-ZEQRLZLVSA-N 431.665 5.516 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2ccc(C)c(Br)c2C)c1 719631407 FHWNGWGHFMVGOY-LJQANCHMSA-N 429.358 6.381 30 10 IKEE CCN(CC)c1ccc(C=NNc2nnc(N=Cc3ccc(N(CC)CC)cc3)s2)cc1 725274044 MXGWEWSKEHFHMY-UHFFFAOYSA-N 449.628 5.427 30 10 IKEE C=C[C@@H]1c2ccccc2N(S(=O)(=O)c2ccc(C)cc2)[C@@H]1C(=O)/C=C/c1ccccc1 1073227798 ITBWHUMMDVMSIT-IUYUFUETSA-N 429.541 5.125 30 10 IKEE CCC(C)=NNc1nc2c(Cl)cc(NC(=O)c3ccc(Cl)cc3)c(Cl)c2s1 1081382456 CMWNTMNJIWVCBG-UHFFFAOYSA-N 441.771 6.707 30 10 IKEE CC(CC(C)C)=NNc1nc(SCCC(=O)N(c2ccccc2)c2ccccc2)n[nH]1 1084275540 QKYIJYQPXWASOE-UHFFFAOYSA-N 436.585 5.486 30 10 IKEE CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)O/C(C(=O)c1ccccc1)=C(\O)c1ccccc1 1615217058 RRTJCTUJMZJJJD-HWEPQYAMSA-N 431.315 5.931 30 10 IKEE Cc1ccc(C[C@@H]2SC(=Nc3ccc(C(=O)O)cc3)N(Cc3ccccc3)C2=O)cc1 1772728140 ODBRTYDCLLZUPE-QFIPXVFZSA-N 430.529 5.068 30 10 IKEE Cc1ccc(C(=O)C[C@@H]2SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1 1772759859 BKCDFYNLWFLJTQ-DEOSSOPVSA-N 428.557 6.021 30 10 IKEE Fc1c(F)c(F)c(-c2cc(Cl)cnc2-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F 1848358586 NOLIKLLVPNFPNW-UHFFFAOYSA-N 445.643 6.460 30 10 IKEE CCc1nc2sc(C)c(-c3ccc(C(C)(C)C)cc3)c2c(=O)n1Cc1cccc(C#N)c1 1857802804 MKQPARJTMAVJOQ-UHFFFAOYSA-N 441.600 6.213 30 10 IKEE CCN(CC)Cc1ccc(/C=N/NC(=S)NC(c2ccccc2)c2ccccc2)cc1 1860500246 MHJLAHZISKYHLZ-ZXVVBBHZSA-N 430.621 5.116 30 10 IKEE CCc1ccc(-c2csc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n2)cc1 1860796778 SBTCJSUJOXBIIL-UHFFFAOYSA-N 439.631 5.915 30 10 IKEE O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCN(Cc2cccc(F)c2)CC1 1861858076 BPUYVJNJVQFCEY-UHFFFAOYSA-N 448.382 5.714 30 10 IKEE COc1cc(-c2nc3ccc(C(=O)Nc4ccccc4C#N)cc3[nH]2)ccc1OCC(C)C 1861860096 KPIZJZXHIRAPFG-UHFFFAOYSA-N 440.503 5.397 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862394040 BPVPWDXFSNRJLQ-RUZDIDTESA-N 433.592 6.387 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccc(F)cc2)cc1 1862443374 OSOHZNLGXGQHDG-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cc(Cl)cc(Cl)c1 1862443540 NBILPSMXYTXEEH-GOSISDBHSA-N 438.738 5.881 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccc(O)c(O)c1)c1cccc(Cl)c1 1862444514 ACLSLEBGDAKQAU-NRFANRHFSA-N 441.911 5.052 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cccc(Cl)c1)c1c(F)cc(F)cc1F 1862464300 SVMIBXKLTLHNCU-IBGZPJMESA-N 435.829 5.278 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2ccc(C)cc2)cc1 1862534071 PVQRZIBODNQSCV-RUZDIDTESA-N 425.528 5.644 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(C(C)(C)C)cc1 1862549546 RGQJWIDESZQEGH-DEOSSOPVSA-N 429.560 5.627 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(O)c(OC)c1 1862619942 GZKSBBJZPNWQBQ-OYHNWAKOSA-N 437.536 5.075 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2ccc(C)cc2)cc1F 1862637141 UYOXIEOUDXKWML-XMMPIXPASA-N 445.490 5.230 30 10 IKEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccccc1Cl)c1ccc2ccccc2c1 1862712053 ISMWLLIWIKPITG-CVDCTZTESA-N 447.918 5.251 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc(F)c1)c1ccc2ccccc2c1 1862715523 OLDWBSDFGRWJER-XMMPIXPASA-N 438.458 5.152 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1 1862722250 OPCWLSBCQPDLQP-AREMUKBSSA-N 446.506 5.527 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(C)c(C)c2)C1=O 1863253447 JMEUJZWPOYCACU-QHCPKHFHSA-N 429.564 5.726 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccc(C)cc2)=C(c2ccc(Cl)cc2)C1=O 1863534087 GNFOIWGDLLNAJT-UHFFFAOYSA-N 438.999 5.879 30 10 IKEE C=CCN(CC=C)c1cc(N2CCN(c3cccc(Cl)c3)CC2)nc(-c2ccccc2)n1 1867972736 SYOFLIRUHWXAKR-UHFFFAOYSA-N 445.998 5.302 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](NC(=O)[C@H](c1ccc(C(C)C)cc1)C(C)C)c1ccccc1 1868850035 AZDGFNCRWOBDOU-IZZNHLLZSA-N 432.608 5.608 30 10 IKEE CCCCCCCOc1cn(CCC(C)C)c(CNc2ccc(C)c(Cl)c2)cc1=O 1870833782 SEXVOCXRLXYCFV-UHFFFAOYSA-N 433.036 6.818 30 10 IKEE C=CCn1cc(OCc2cccc(C)c2)c(=O)cc1CNc1cc(C(C)C)cc(C(C)C)c1 1871070151 RHDIQCSAVUPRIC-UHFFFAOYSA-N 444.619 6.781 30 10 IKEE CCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(C)c(Cl)c1 1871251095 MYDPZUBABKGRQY-UHFFFAOYSA-N 435.955 5.673 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc4c3CN(C3CCCCCCC3)CO4)C2=O)cc1OC 1871349339 PADMTORNHJSRIT-MYYYXRDXSA-N 449.547 5.585 30 10 IKEE CC[C@@H](C)N1COc2cc(C)c3c(c2C1)O/C(=C\c1cn(CC)c2ccc(OC)cc12)C3=O 1871352164 SENZENJXXQGELQ-BYRCZEICSA-N 446.547 5.545 30 10 IKEE CC[C@@H](C)N1COc2c(cc3c(c2C)O/C(=C\c2ccccc2Br)C3=O)C1 1871353532 RSQXZBWTTZSGPB-XTBHVRTMSA-N 428.326 5.324 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc([N+](=O)[O-])cc4Cl)c3C)C2=O)cc1 1871374037 NCNFTWSNBZRDLZ-NHDPSOOVSA-N 449.846 5.700 30 10 IKEE Cc1c(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc2c1O/C(=C\c1ccccc1)C2=O 1871374087 PWYACBIKGGXZGD-JAIQZWGSSA-N 435.819 5.392 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OC(=O)COc3ccc(Cl)cc3)c2C)C1=O 1871381110 OKRHACXCGVITRL-XKZIYDEJSA-N 434.875 5.557 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OCCc4ccccc4)ccc3C2=O)c2cc(OC)ccc21 1871400112 ILZUCBQFTZIJCA-DICXZTSXSA-N 439.511 5.908 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCCCCOc4ccc(C)cc4)ccc3C2=O)cc1 1871403215 GIWCKUHNNGFLLS-IMRQLAEWSA-N 444.527 6.248 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(C)o1)C2=O 1871403529 YNTDVQOTQJPTLO-NQRZERFFSA-N 431.488 5.481 30 10 IKEE Cc1ccc(OCCOc2ccc3c(c2)O/C(=C\c2cn(C)c4ccccc24)C3=O)cc1 1871405231 GXBNZIVSFZSHNU-YSMPRRRNSA-N 425.484 5.561 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2sccc2C)C3=O)cc1 1871410576 DYBXDXUJLZXYJI-VVRYKASASA-N 447.556 5.950 30 10 IKEE CCc1ccc(OCCCOc2ccc3c(c2C)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871412778 DGADFXXXMMZJGF-ANZDQNSGSA-N 440.539 6.578 30 10 IKEE CCn1cc(/C=C2\Oc3c(ccc(OCC(=O)OCC(C)C)c3C)C2=O)c2ccccc21 1871427710 PYSAAUGGYOOZSM-FMCGGJTJSA-N 433.504 5.164 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCc4c(Cl)ccc(Cl)c4Cl)c3C)C2=O)o1 1871427988 BTBGGGFOASQZSZ-OCKHKDLRSA-N 449.717 7.052 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OCc4ccc(C(=O)OC(C)C)o4)c3C)C2=O)cc1 1871439110 IEOPVJNLOPRJIE-QRVIBDJDSA-N 448.471 5.357 30 10 IKEE CCOC(=O)c1ccc(COc2cc(C)c3c(c2)O/C(=C\c2ccccc2Cl)C3=O)o1 1871439210 NWMHEFQRNFIKLZ-NHDPSOOVSA-N 438.863 5.613 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc(OCCC(=O)Nc3ccccc3)c2C)C1=O 1871447536 WYKJJUZUNDJVTL-ULJHMMPZSA-N 443.499 5.418 30 10 IKEE Cc1cc(OCC(=O)Nc2ccccc2Cl)cc2c1C(=O)/C(=C/c1ccc(F)cc1)O2 1871455853 YZWOSJPCUIPPJZ-NHDPSOOVSA-N 437.854 5.421 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(F)cc2)cc2c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O2 1871456422 DFWNWBHPTBCZNT-CFRMEGHHSA-N 445.490 5.891 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(C)c(Cl)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1871808873 NVUXJPGOMXMJFM-JTSKRJEESA-N 449.016 5.187 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(C)cc1C)[C@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872549257 UAGBTXKRPXLWAN-DVECYGJZSA-N 442.625 5.150 30 10 IKEE COc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3ccc(F)cc3F)cs2)cc1 1872767483 SPMBGLNTTOMHJE-SFHVURJKSA-N 428.460 5.132 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccc(C)cc3)n2)cc1Cl 1872785063 DNCRTQPWMHAVLM-SFHVURJKSA-N 440.952 5.816 30 10 IKEE C=CCn1c(C(=O)N2CCC[C@H](C)C2)cc2c(N(CCCC)CCCCCC)ncnc21 1873562926 ZZIGABUAMXSJEN-NRFANRHFSA-N 439.648 5.676 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(OCC)cc2)cc2c(N(CCC)CCCC)ncnc21 1873659150 DBHVNBRAJWNCEV-UHFFFAOYSA-N 435.572 5.285 30 10 IKEE CCCCCCCCNC(=O)COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1 1873886420 VGVNBZOWEGQLLC-UHFFFAOYSA-N 435.564 5.548 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1c2ccccc2C(=O)N(CCCC)C12CCCC2 1873935742 XSGWMJHGAPNDIY-VWLOTQADSA-N 440.672 6.596 30 10 IKEE Cc1ccc(C)c(CSc2nnc(COc3ccc(C)c(C)c3)n2/N=C/c2ccc[nH]2)c1 1874320902 PQQIJHPCDCNJJF-MZJWZYIUSA-N 445.592 5.593 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OC)cc2)n1/N=C/c1c(Cl)cccc1Cl 1874349613 VOMLOWDOIHMQOR-WYMPLXKRSA-N 447.391 5.735 30 10 IKEE C=CCSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1cccc(OC)c1OCCC 1874400064 HXHHBWRCTHRPMS-UPMNJHNBSA-N 436.581 5.388 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2-c2ccccc2)cc1O 1874426505 LTAGLWVEUWLRQW-MFKUBSTISA-N 430.533 5.142 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2C2CCCC2)cc1OC 1874452981 XYGZYZNSLBTOIT-MFKUBSTISA-N 436.581 5.436 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCCc2ccccc2)nnc1C1CCCC1 1874455689 GEMONSQLJODQAO-LGUFXXKBSA-N 432.593 5.718 30 10 IKEE O=[N+]([O-])c1ccccc1/C=N/n1c(SCc2ccccc2Cl)nnc1-c1ccco1 1874467120 SEGTWTUUDBAHGA-WSDLNYQXSA-N 439.884 5.274 30 10 IKEE CC(C)c1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874514802 HQIPBLJLZGOLTE-ZMOGYAJESA-N 447.520 5.343 30 10 IKEE COC(=O)c1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C(C)C)cc1 1874515458 YLTVMASHPSMPNB-CVKSISIWSA-N 444.560 5.516 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(C3CC3)n2/N=C/c2ccc(Cl)cc2Cl)cc1 1874518487 VSXSNNJEFSJZAR-LSHDLFTRSA-N 448.335 5.545 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CC)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1 1874525097 WCNVTEDCRYOWDT-HZHRSRAPSA-N 439.541 5.102 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc3ccccc3c2)c1OCc1ccccc1F 1874571305 GXYFTSUUVOIUIL-OUKQBFOZSA-N 446.905 7.116 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2cccc(Cl)c2)c1OCc1ccccc1Cl 1874577392 LPYJAKJSCAIPFS-MDZDMXLPSA-N 447.745 7.131 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1c(OCC(=O)OCC(C)C)ccc2ccccc12 1874586019 RLXXEKTZYNPRRC-VAWYXSNFSA-N 446.543 5.939 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OCc1cccc2ccccc12 1874611981 VMVNVGMNMNBPMN-GXDHUFHOSA-N 444.477 6.992 30 10 IKEE O=C(/C=C/c1ccc(OCc2c(F)cccc2Cl)c(Cl)c1)c1cccc(Cl)c1 1874612532 ZIUANUULJFVORZ-VQHVLOKHSA-N 435.709 7.261 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OC 1874613254 KUEWSSWVCZTVQF-PKNBQFBNSA-N 429.944 5.272 30 10 IKEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(OC)c(F)c3)cc2Cl)o1 1874621628 MMIOKEJTDCMTOP-XVNBXDOJSA-N 444.842 5.342 30 10 IKEE CCCOc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc1Br 1874624748 UCBSUQXMCAIDTM-JXMROGBWSA-N 431.370 6.440 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OCCO)c(OC)c2)cc1 1874625811 XCRXHTKEIINUPY-MDWZMJQESA-N 446.971 5.965 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OCc1ccccc1Cl 1874633233 SCBAQLRFUIHCJB-WYMLVPIESA-N 446.974 7.169 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc(Br)c1OC 1874633991 GBPIEFPFVMFPCP-VOTSOKGWSA-N 439.733 5.723 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OC(=O)COc1c(C)ccc(C)c1C 1874703118 ZRTUOJKJTVXOJO-GXDHUFHOSA-N 444.527 5.809 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1cccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c1 1874706108 PJIIGEKTCCCQPH-SFQUDFHCSA-N 444.527 6.117 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC(=O)Cc2ccccc2F)c1 1874709482 JLFTUWNJXLLATN-WYMLVPIESA-N 446.518 6.176 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)Cc3cc(C)ccc3C)c2)cc1C 1874717845 MNFWRCYWTHSKIC-VAWYXSNFSA-N 428.528 5.973 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(C)cc2C)CSc2nnc(CCC)n21 1874867672 XPPIJJSAYYIXDH-OAQYLSRUSA-N 428.646 5.910 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)c1ccc2ccccc2c1 1875094680 DHGBHDVNLPGNKB-VGOFMYFVSA-N 447.317 7.262 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4ccccc4c3)cc2)cc1 1875094689 DSEMJSHQXOPLOM-VXLYETTFSA-N 434.535 7.253 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3cccc(C)c3C)cc2)cc1C 1875107326 KPFAYTJYIIRVOX-GXDHUFHOSA-N 430.500 5.501 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C2CCCC2)c(Cl)c1)c1cccc(Br)c1 1875115758 UJMHTKPGFULGHU-CSKARUKUSA-N 433.729 6.094 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC(=O)Cc1ccc(Cl)cc1 1875125552 OPQUIMOLJUCBSN-UUILKARUSA-N 441.310 6.046 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3)c([N+](=O)[O-])c2)cc1 1875130123 KJPSDPDCZFRTMU-OVCLIPMQSA-N 445.471 5.428 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(OC)ccc2OC)ccc1OC(=O)CC(C)(C)C 1875146675 AHSYCOJQYYJRLR-DHZHZOJOSA-N 426.509 5.340 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1Cl)c1ccc(F)cc1 1875154316 YLRMAFHRUHMJDH-RIYZIHGNSA-N 430.862 6.748 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2ccccc2Cl)cc1 1875169195 FJBIFJSPIHQIPB-JLHYYAGUSA-N 434.919 6.010 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc(OC)c1OC(=O)c1ccco1 1875169336 HXICBIHIFDGWRZ-CMDGGOBGSA-N 436.460 5.038 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1(C)C 1880344484 RGBMKAQDIOYCHV-VWLOTQADSA-N 443.588 5.496 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCC)c2cc(F)ccc2Br)C1 1898412289 LEHCZLJTGZVPEX-QGZVFWFLSA-N 427.358 5.100 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@@H](CNC(=O)OC(C)(C)C)C1CCCC1)NCCC 1922079109 CAVSQCBCHHJSKF-LOSJGSFVSA-N 444.660 5.849 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 1944566011 NOPPWCKGRPLAGX-KOSHJBKYSA-N 435.609 5.533 30 10 IKEE CC1(C)C[C@@H]([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)N(C(=O)OC(C)(C)C)C1 1945905143 BXKKQCJHKAOMAK-RBUKOAKNSA-N 435.609 5.484 30 10 IKEE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 2006173990 BSNXQDXIJKSFCE-DNVJHFABSA-N 427.633 5.758 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(C)sc(C)c1Br 2027395946 SCXXGLKNVWDHTM-RHSMWYFYSA-N 431.440 5.638 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@]1(C#N)CCN(Cc2ccccc2)C2(CC2)C1 2042189294 KZYZSTBFGJWSFP-MHZLTWQESA-N 437.628 6.037 30 10 IKEE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)[C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2C#N)C1 2055651676 UZMJORCYUXFDNZ-FUPPJEDESA-N 441.616 5.394 30 10 IKEE CC(C)(C)c1nn([C@H](c2ccc(C3CC3)cc2)C2CCC2)c(Br)c1/C=N/O 2079073434 IFMVFKPAUXCLAS-BBMHEYIBSA-N 430.390 6.018 30 10 IKEE CC(C)(C)c1nn(Cc2cc(C(F)(F)F)ccc2F)c(Br)c1C(F)(F)F 2079834374 HXJZASGJJYKDRR-UHFFFAOYSA-N 447.192 6.168 30 10 IKEE Cc1cc(C)c([C@@H](C2CCC2)n2nc(C(C)C)c(C#N)c2I)c(C)c1 2079993213 OVGRBEZCVSATGY-HXUWFJFHSA-N 447.364 5.798 30 10 IKEE COc1ccc([C@H](n2nc(C3CCC3)c(C=NO)c2Br)C2(C)CC2)cc1F 2080107570 PNGBOSBJLDFOLM-SFHVURJKSA-N 436.325 5.258 30 10 IKEE COc1ccc(CN(Cc2ccccc2)[C@@H](C)C(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2095899134 ZRFXTLADFPDRJO-FQEVSTJZSA-N 437.433 5.431 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)C1(C(F)(F)F)CCC1 2122757684 MUFWAUYCHLMLQH-CQSZACIVSA-N 433.268 5.815 30 10 IKEE CN(Cc1ccc(Cl)c(Br)c1)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2166758540 WNTNZIWCNMFIGG-UHFFFAOYSA-N 436.586 5.038 30 10 IKEE CCCN(c1cc(Br)cc(F)c1C#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2174812465 LGRHAKFCBYRXRZ-OAHLLOKOSA-N 440.357 5.076 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)C1CCN(Cc2ccccc2)CC1 2235735885 VNMYLPLJGXQDTP-DEOSSOPVSA-N 425.414 5.081 30 10 IKEE C=CCC[C@@H](C)[C@H](NCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237400224 NIRZCQBEHCPKPG-AHRSYUTCSA-N 439.438 5.465 30 10 IKEE CC#CC[C@H](OCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2261849838 WNFRGAJFNPXUAD-DEOSSOPVSA-N 430.500 5.400 30 10 IKEE C=CCC1(COc2ccc(N)c(Br)c2)CCN(C(=O)OC(C)(C)C)CC1 2272143258 IQXSFXKUGXTSJD-UHFFFAOYSA-N 425.367 5.004 30 10 IKEE CCN[C@@H](C#Cc1cccc(Br)c1)c1cscc1OCc1ccccc1 2278743913 LPWUWQNKWSWQAN-NRFANRHFSA-N 426.379 5.792 30 10 IKEE C=C(C)CCCC[C@H](NCCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2287381849 BEJGXKUWPBPEQI-IBGZPJMESA-N 439.438 6.973 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1CCC(=O)C#Cc1cccc(Br)c1 2296223722 CMGPKQNVKSUQBK-FXAWDEMLSA-N 434.374 5.233 30 10 IKEE COc1cccc([C@@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2c2ccc(C)c(Cl)c2)c1 2296235683 UMQVFVJDTWTEQV-JOCHJYFZSA-N 433.891 5.283 30 10 IKEE CN[C@@H](C#Cc1ccc(Br)cc1)c1cc(NC(=O)OC(C)(C)C)ccc1C 2296306835 MMNIXOFRUMGHML-FQEVSTJZSA-N 429.358 5.417 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc3C2=O)c1OC 2296868083 TWUOKPVJUXEASD-UHFFFAOYSA-N 436.847 5.193 30 10 IKEE C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC(=Cc1ccnn1C1CCCC1)C2=O 2297124292 NDZYXAXWOZOQAQ-KLPWJXDZSA-N 434.624 5.884 30 10 IKEE N#Cc1ccc(N2C(=S)C3(CCCCC3)[C@H](N3CCCC3)C2=NC2CCCCC2)cc1 2297382585 HYJDMDBZIMBCOQ-HSZRJFAPSA-N 434.653 5.852 30 10 IKEE C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC(=Cc1ccnn1-c1ccccc1)C2=O 2297556304 PSHMDRHQJHJFAC-UMHALFAZSA-N 442.603 5.758 30 10 IKEE COc1cc(C)c(C=C2SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1C(C)C 2313541449 ILOOOYKNFXCUQL-UHFFFAOYSA-N 435.376 6.325 30 10 IKEE CC(=Cc1ccccc1)C=C1SC(=Nc2cccnc2Cl)N(c2ccccc2)C1=O 2314539833 BUQOWYFZFGSFKK-UHFFFAOYSA-N 431.948 6.490 30 10 IKEE Cc1cc(OCc2ccc(Cl)cc2Cl)cc2c1C(=O)C(=Cc1ccccc1Cl)O2 2321784438 UNOJJGQYDYBQTG-UHFFFAOYSA-N 445.729 7.150 30 10 IKEE CCOc1cc(C=Nn2c(S)nnc2C2CCCC2)ccc1OCc1ccc(F)cc1 2321928075 VWUYTOMKQMSILM-UHFFFAOYSA-N 440.544 5.223 30 10 IKEE CCCCC1CCC(c2nnc(S)n2N=Cc2cccc(OC)c2OCCC)CC1 2322106726 DWIOYDMUVVKKMG-UHFFFAOYSA-N 430.618 5.710 30 10 IKEE COc1ccc(OC)c(C=C2Oc3c(ccc4c3CN([C@H]3CCCC[C@@H]3C)CO4)C2=O)c1 2322145857 MDHKGTCUGRVCJV-KKSFZXQISA-N 435.520 5.051 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1cn(C)c4ccccc14)O3)CN([C@H]1CCCC[C@H]1C)CO2 2322153223 LIIUMEFEDBVKIT-VGSWGCGISA-N 442.559 5.834 30 10 IKEE CC(C)Oc1ccc(C=Nn2c(S)nnc2COc2cc(Cl)ccc2Cl)cc1 2322256091 BEUHGGQJPGFITC-UHFFFAOYSA-N 437.352 5.122 30 10 IKEE Cc1ccc(NC(=O)COc2ccccc2C=CC(=O)c2ccc3ccccc3c2)cc1C 2322312605 URJPZVGRHAULCG-UHFFFAOYSA-N 435.523 6.370 30 10 IKEE CCOc1ccc(C=C2Oc3c(cc4c(c3C)OCN(CCC3=CCCCC3)C4)C2=O)cc1 2322377403 CDICCIFXYWTZJX-UHFFFAOYSA-N 445.559 6.052 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)N[C@H](C)c2ccccc2)cc1 2322595961 AQGPEJFAKRRYAQ-LJQANCHMSA-N 433.935 5.801 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc(OC(=O)c3ccc(Cl)cc3)c2C)C1=O 2322703738 UBQFDIVBXYELLX-UHFFFAOYSA-N 434.875 5.883 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccccc1OCC(=O)Nc1ccc(C)cc1C 2323022224 ZCWLRZUDTFRCQL-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1OCC(=O)Nc1ccccc1 2323047697 FYPOUNAKGPVVOX-UHFFFAOYSA-N 437.495 5.762 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2C)C3=O)cc1 2323078534 GOJVRITVCCDZSM-UHFFFAOYSA-N 444.483 5.303 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OCC(=O)Nc1ccccc1F 2323138575 NEKNAXSUNALEAC-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC)c3ccccc23)cc1OCc1ccc(C)cc1 2323328318 WVXKXHFKWUEQSG-UHFFFAOYSA-N 438.523 6.641 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1[N+](=O)[O-] 2323331535 MRYCAXHEADKSDA-UHFFFAOYSA-N 443.455 5.862 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3C)c(OCC)c2)cc1 2323556895 CQIALVFOPSFUEG-UHFFFAOYSA-N 428.572 7.211 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OCc3cccc(F)c3)c([N+](=O)[O-])c2)c1 2324023577 YNWCMLZCOMQKSP-UHFFFAOYSA-N 437.423 5.226 30 10 IKEE CCOc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1OC 2324817359 UXRBPJHOLWWSSG-AWEZNQCLSA-N 444.965 5.822 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(C(C)C)cc2)ccc2c1OC(=Cc1cccs1)C2=O 2325318633 RVOLJHJPKZHRHS-UHFFFAOYSA-N 433.529 5.814 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3cccc4ccccc34)c2)cc1C 2325714343 MUBBDJCTHKYJSO-UHFFFAOYSA-N 436.507 6.201 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C)c(Cl)c4)cc(C)c3C2=O)o1 2325729902 PTWBOKXKOARUMG-UHFFFAOYSA-N 437.879 5.492 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2cccc(C=CC(=O)c3ccc(Oc4ccccc4)cc3)c2)c1 2325754925 LAHFQKUOHHYTMA-UHFFFAOYSA-N 448.518 7.211 30 10 IKEE CCCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1N=Cc1ccccc1 2325821741 AGYMOWOTXINXSU-UHFFFAOYSA-N 438.597 5.548 30 10 IKEE CCSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1ccc(OC)cc1 2325883120 MOIMMYDJIGRLDK-UHFFFAOYSA-N 446.576 5.446 30 10 IKEE CCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1ccc(C(F)(F)F)cc1 2326324041 LWGUHCDVVMIGOK-UHFFFAOYSA-N 446.542 6.331 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1ccccc1C(F)(F)F 2326442567 CERRJDYSMOBOGF-UHFFFAOYSA-N 432.515 6.041 30 10 IKEE CCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1c(C)n(CC)c2ccccc12 2326470630 RSLFJSXYEMGHFH-UHFFFAOYSA-N 438.000 5.951 30 10 IKEE C=CCSc1nnc(COc2cc(F)ccc2F)n1N=Cc1cccc2ccccc12 2327476111 DUQGDTQUDAQYIT-UHFFFAOYSA-N 436.487 5.449 30 10 IKEE Clc1ccccc1CCc1nnc(SCCc2ccccc2)n1N=Cc1ccc[nH]1 2327959299 YTEYXNIGSGVDOS-UHFFFAOYSA-N 435.984 5.262 30 10 IKEE Clc1ccccc1CSc1nnc(CCOc2ccccc2)n1N=Cc1cccnc1 2329200428 NHRQSONXAMXMBZ-UHFFFAOYSA-N 449.967 5.123 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3F)n2N=Cc2ccccc2C)cc1 2329278301 QFNRCYPOJHZKHE-UHFFFAOYSA-N 446.551 5.500 30 10 IKEE OCCCSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(Cl)c(Cl)c1 2329609262 XBJQECWSMXLGLS-UHFFFAOYSA-N 441.771 5.262 30 10 IKEE COc1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2[C@H](C)c2ccccc2)cc1 2330078539 NZJFFCNOBFWDMW-GOSISDBHSA-N 446.551 5.752 30 10 IKEE CCc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCc2cccc(F)c2)cc1 2330246592 LIZCYGCDHIAHRK-UHFFFAOYSA-N 436.600 6.277 30 10 IKEE C[C@H](C(=O)Oc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1Cl)c1ccccc1 2330663262 PFJOVEQEOIBORG-IBGZPJMESA-N 440.926 7.098 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2cccc(OC)c2)cc1OC 2330774684 QASRKNWWVAYQLG-UHFFFAOYSA-N 430.928 6.129 30 10 IKEE C[C@H](Oc1ccc(Cl)cc1)C(=O)Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1 2330910663 JGHPFZLJBYKCMW-INIZCTEOSA-N 441.310 6.262 30 10 IKEE Clc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2[C@H]2CCCO2)cc1 2330990204 YMKDJRUTKQDOGR-GOSISDBHSA-N 433.364 5.611 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)CCc2ccccc2C)c([N+](=O)[O-])c1 2331069215 MCZDVKABEXBYKH-UHFFFAOYSA-N 445.471 5.346 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc([N+](=O)[O-])c1OC(=O)Cc1ccc(F)cc1 2331174160 DNRSIVUIPGCSQR-UHFFFAOYSA-N 449.434 5.177 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3cc(Cl)ccc3Cl)cc2)cc1 2331259073 HDSRRMQUNQIIAS-UHFFFAOYSA-N 441.310 6.182 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)c(C)c3)cc2)c1 2331377448 APJVTXFLLBUCRY-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1sccc1C 2331445182 PVXQJARLUDKUCR-UHFFFAOYSA-N 436.485 5.299 30 10 IKEE COc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1 2331470201 SAWTXGJURWKASN-UHFFFAOYSA-N 438.479 5.729 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)c1cccnc1 2331499676 FWVIAZFPPCUKFY-UHFFFAOYSA-N 449.934 6.372 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)c3ccccc3)cc2)cc1C(C)C 2331573750 JWADMWLWABILFT-NRFANRHFSA-N 442.555 6.732 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccco2)c(Cl)c1 2331743239 LAOGORKSWIBUCK-UHFFFAOYSA-N 431.271 6.019 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2ccc(C#N)c(Br)c2F)C[C@@H]2CCC[C@H]21 2360232465 QHRKHTMPXNQUMW-DUVNUKRYSA-N 438.341 5.050 30 10 IKEE CC1(C)CN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCCN1Cc1ccccc1 2365051715 GSAZDUJKQSWRJV-FOCLMDBBSA-N 447.432 5.217 30 10 IKEE Cc1ccc(COc2cc(NC(=O)OC(C)(C)C)c(C)cc2Br)cc1C#N 2370443291 QTRZJULGJSQOLO-UHFFFAOYSA-N 431.330 5.864 30 10 IKEE C=CCN(C(=O)c1cc2c(s1)-c1ccc(Cl)cc1S(=O)(=O)C2)c1ccccc1 9407709 BBPNPHXZHFIRNW-UHFFFAOYSA-N 429.950 5.189 30 10 IKEE CC(C)=CCC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC1=C(C)C(=O)c2ccccc2C1=O 11592560 DKHGMERMDICWDU-BYCARWKZSA-N 444.659 8.918 30 10 IKEE in-vitro CC[C@@H](C)Oc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 21257908 RDMIUSADMAGBOC-FFSNCUIWSA-N 438.571 6.843 30 10 IKEE CC(C)[C@H](C(=O)O[C@@H](C#N)c1cccc(Oc2ccc(O)cc2)c1)c1ccc(Cl)cc1 31516176 DHTRRTYYQFWHPE-ZEQRLZLVSA-N 435.907 6.386 30 10 IKEE C=CCC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C(C)C 36306398 SJNVBXUYOABITK-HSZRJFAPSA-N 433.596 5.725 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2)[C@@H]1c1cccc2ccccc12 40077857 ZOAASJQLDXXKQS-DEOSSOPVSA-N 429.516 5.617 30 10 IKEE C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OCC)c(C)c3)=C(O)C(=O)N2CCCC)c1 40085905 NCDFRAUAGQMTJZ-XMMPIXPASA-N 449.547 5.337 30 10 IKEE CCCCCCC/C=C/C(=O)CCCCCCCCC[C@H](CCCCCCC)C(=O)O 44352403 LMKTZOYZOYTOMH-LHAKLNOCSA-N 436.721 9.044 30 10 IKEE Cc1cc(-c2ccccc2)nc(N/C(=N\C(=O)c2ccccc2)Nc2ccc(C)c(C)c2)n1 59488000 WZYBTILJFHCBRX-UHFFFAOYSA-N 435.531 5.789 30 10 IKEE CCCCCCCCCCCCCCCCCCOC(=O)N[C@H]1C=CS(=O)(=O)C1 59568226 GMPJAYIEDPPJKU-QFIPXVFZSA-N 429.667 6.285 30 10 IKEE CCOc1ccc(C(=O)/N=C(/NCCc2c[nH]c3ccccc23)Nc2cccc(C)c2)cc1 66437681 OHRPEWSPPFTGAA-UHFFFAOYSA-N 440.547 5.316 30 10 IKEE CCCCCCCCCCCCCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 85974799 YFPVRCYDDXYINM-RUZDIDTESA-N 442.644 6.761 30 10 IKEE biogenic CCCCCCCOc1ccc2ccccc2c1[C@@H]1Nc2ccccc2C(=O)N1CCCC 100137785 CYQAIKZQIHOVNI-MUUNZHRXSA-N 444.619 7.556 30 10 IKEE CC(C)c1ccc([C@@H]2/C(=C(/O)c3ccc(Cl)cc3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1 102536697 MZSMBVNVHXRFAN-BOVFIRRTSA-N 439.939 5.064 30 10 IKEE O=C1/C(=C/c2ccc(N3CCCCC3)o2)S/C(=N/C2CCCCC2)N1C1CCCCC1 105920451 YMARKAUCJQUIKU-KLCORTCGSA-N 441.641 6.208 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(OC)cc2)cc1 169921605 XXXJDSCQBWBOQJ-HSZRJFAPSA-N 431.463 5.180 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@@H]2c2cccc(C)c2)cc1 169969119 IQMSSISPEANTBU-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2cccc(C)c2)cc1 169969302 BMCWVPRWQAOOTC-VWLOTQADSA-N 441.527 5.793 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@@H]2c2ccncc2)s1 170021388 GNFAYGXEKHNXLR-OAQYLSRUSA-N 441.512 5.091 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2c2ccccc2)c1 170036616 HYTIEKYAWSZUCB-HSZRJFAPSA-N 447.462 5.016 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(O)c(Cl)c2)cc1 170040745 YDUYBTXGGULBBR-JOCHJYFZSA-N 433.891 5.391 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccccc2)cc1 170048936 CCITUDXTQKEZOK-VWLOTQADSA-N 441.527 5.992 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccccc2F)c1 170069953 CMAUQOZCWLMFTG-DEOSSOPVSA-N 429.491 5.842 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2c[nH]c3ccccc23)c1 170074571 IXPJTAQWXUZAGQ-AREMUKBSSA-N 436.511 5.578 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccccc2C)cc1 170088661 NLRGKRGFSAWAIX-XMMPIXPASA-N 439.467 5.533 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@@H]1c1ccc(OC)cc1 170116522 KECSQANYZZSGAX-NRFANRHFSA-N 443.927 5.126 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(N(CC)CC)cc1 170138843 WTBPPSKOFQXLKL-VWLOTQADSA-N 442.559 5.674 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@H]1c1ccccc1OC(C)C 170151369 DGCNSKDJAAUWNC-HSZRJFAPSA-N 437.536 5.169 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)ccc1Cl 170159443 IBRAWDKINRNDIZ-HXUWFJFHSA-N 439.920 5.501 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2cccnc2)cc1 170186045 LGESESHTHFBXNQ-VWLOTQADSA-N 434.495 5.580 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccncc2)cc1 170212142 BYOOPUCUJXROOJ-QHCPKHFHSA-N 434.536 5.172 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccccc2)cc1C 170223192 APDLYLFFHUVYQK-QHCPKHFHSA-N 449.453 5.455 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccccc2)c1 170224151 DUZCRAFJOABFMD-OSPHWJPCSA-N 425.484 5.101 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(C4CCCCC4)[C@H]3c3ccccc3)oc12 170231575 DUOIYFSQUZGMEN-QFIPXVFZSA-N 431.488 5.352 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2)cc1C(C)C 170233812 YDPLBBQALYWTLZ-DEOSSOPVSA-N 433.548 5.730 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@@H]1c1ccccc1F 170253274 PQEDZZVITWDXAK-FQEVSTJZSA-N 431.891 5.256 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccco2)cc1C(C)C 170290027 JRUXYHDYQYSOEB-XMMPIXPASA-N 445.515 5.811 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1sccc1C 170315490 NNLCGYILQAKXLD-IBGZPJMESA-N 434.473 5.056 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(F)cc1)c1ccccc1 170376682 LIDHZQIYOPMSBA-HXUWFJFHSA-N 442.273 5.915 30 10 IKEE CC(=NN1CCN(C2c3ccccc3-c3ccccc32)CC1)c1ccc(Cl)cc1Cl 252642529 ZMZKOUTWWJXFQD-UHFFFAOYSA-N 436.386 6.105 30 10 IKEE C[C@H]1C[C@H](C)CCN1c1ccc([N+](=O)[O-])cc1/C=N/c1ccc2c(c1)oc1ccccc12 253569918 MYJMTEJTKDRHMF-CCAXLGMPSA-N 427.504 6.870 30 10 IKEE CCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 253618016 LBERVHLCXUMDOT-IISZJVLJSA-N 442.684 7.571 30 10 IKEE COc1ccc(N=C2S/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)N2C)cc1 254527278 ICOCMJQUQQWCPW-APOQOXIPSA-N 435.461 5.097 30 10 IKEE CCCCCCCCCC[C@H](N)c1cc(NC(=O)OC(C)(C)C)ccc1Br 406451797 BDDFJQDKLJQIAQ-FQEVSTJZSA-N 441.454 7.327 30 10 IKEE CCCCCCC[C@H](NCCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 406944056 HSBZUXVSNNBMKM-FQEVSTJZSA-N 441.454 7.197 30 10 IKEE C=CCN(C[C@@H](Cc1cc(Br)ccc1C)NCCC)C(=O)OC(C)(C)C 407657310 GWIJFQXYSBTMEY-LJQANCHMSA-N 425.411 5.091 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(Sc2ccccc2)C1=O 526656938 HMEORICRIGLEDK-UHFFFAOYSA-N 445.931 5.509 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1cccc(OC)c1OC 526817434 NELXZNZWUNXWAP-MSXFZWOLSA-N 448.951 5.215 30 10 IKEE CCCCCCC[C@H](NCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 693653627 IDWKQIWOVUCHGG-JYFHCDHNSA-N 431.665 5.494 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]([C@](C)(C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 698878029 XJNIPRDRWGUWQU-KOSHJBKYSA-N 435.609 5.486 30 10 IKEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@@H](C#N)c1ccc(Br)c(Cl)c1 710815735 RLSZERLALZOIBH-LBPRGKRZSA-N 427.648 5.467 30 10 IKEE CC(=O)O/N=C1/C=C2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H]3C[C@@H]3CCCC[C@@]34C(C)=O)[C@]2(C)CC1 1076146646 LQJAXDXIQDWPOB-MDANEZFTSA-N 425.613 6.244 30 10 IKEE COc1cc(C=Nc2cccc(Cl)c2Cl)ccc1OCc1cccc(C(=O)O)c1 1084445544 YGEUBAMGTWELDF-UHFFFAOYSA-N 430.287 6.030 30 10 IKEE O=[N+]([O-])c1ccc(O)c(C=Nc2ccc3nc(-c4ccc(Cl)cc4Cl)[nH]c3c2)c1 1084618345 RWZUMZJLXYFMFL-UHFFFAOYSA-N 427.247 5.901 30 10 IKEE CC(/C=N/N=C1/S/C(=C/c2cccs2)C(=O)N1Cc1ccco1)=C\c1ccccc1 1615304756 IVZXFHNYNAOJMB-TVMANTFASA-N 433.558 5.903 30 10 IKEE CC(C)(C)c1ccc(C(=O)Nc2ccc(Cl)c(NC(=O)c3cccc(C#N)c3)c2)cc1 1860447733 OGGBYGLQAXGOIE-UHFFFAOYSA-N 431.923 6.014 30 10 IKEE N#Cc1cccc(C(=O)Nc2cc(NC(=O)CCn3ccc4ccccc43)ccc2Cl)c1 1860460397 JIDDFGDYEGKMLA-UHFFFAOYSA-N 442.906 5.447 30 10 IKEE CCCCCCCCNC(=O)[C@@H](NC(=O)CCCOc1ccc(C)cc1)c1ccccc1 1861681277 MDQMIGGFQYQRBZ-SANMLTNESA-N 438.612 5.488 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2cccc3ccccc23)n(Cc2cccc(F)c2)n1 1862371385 VAQDDBCUQKRKPS-UHFFFAOYSA-N 425.507 5.705 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@@H]1c1ccccc1F)c1ccc(F)cc1F 1862411695 NENVXPDOWWVCKV-OAQYLSRUSA-N 441.380 5.022 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(F)cc1F 1862463859 LQVKZJWAPSBXNK-LJQANCHMSA-N 439.380 5.007 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1C(=O)O 1862477718 PODLXCAESGOOJB-HSZRJFAPSA-N 449.547 5.632 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)c1 1862479279 CJRVZTGFQJUMBB-RZPHLTDDSA-N 447.575 5.941 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cc(Cl)cc(Cl)c1 1862498375 GUHBSYCRVDKXOW-HXUWFJFHSA-N 448.346 5.225 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1F 1862505061 JJUSAKXSFIPNAJ-XMMPIXPASA-N 449.566 6.343 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862519548 MSBOMBZFAFBCML-RUZDIDTESA-N 449.591 6.223 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(CC)cc1 1862530809 YJIQNTWZLLTCHI-AOYPEHQESA-N 447.619 6.749 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(C(F)(F)F)cc1 1862597389 JYZPXCXBXKDMSO-LJQANCHMSA-N 433.426 5.180 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@@H]1c1ccccc1)c1cccc2ccccc12 1862649044 PIQQNEFGWRPMOX-AREMUKBSSA-N 437.539 6.309 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCCCN(C)C)c1 1862649514 ZVQHDPCOSKBVTG-RUZDIDTESA-N 442.559 5.068 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc2cc[nH]c2c1)c1cccc2ccccc12 1862651075 KQDKRZDPGAIBQN-VWLOTQADSA-N 448.478 5.693 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2ccccc2)cc1 1862660474 LTJZSEIJBGEXDN-HSZRJFAPSA-N 431.557 5.693 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(O)c(O)c1 1862726161 ZVISVSGQVZOXGI-XMMPIXPASA-N 443.499 5.143 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1ccc2cc[nH]c2c1)c1ccc(-c2ccccc2)cc1 1862726560 JMMLZLHDJCUTGF-RUZDIDTESA-N 434.495 5.576 30 10 IKEE Cc1cccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(OC(C)C)cc3)C2=O)c1 1862984724 CTIKABHNXSRGAJ-UHFFFAOYSA-N 437.499 5.051 30 10 IKEE N#Cc1ccccc1N1C(=O)C(Nc2ccc(Cl)cc2)=C(c2c[nH]c3ccccc23)C1=O 1863136666 ZVBNPEJIQQNVQH-UHFFFAOYSA-N 438.874 5.090 30 10 IKEE C[C@H]1CCCC[C@H]1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2cccc3ccccc23)C1=O 1863223987 CVZMBZUTUBPUBG-MHECFPHRSA-N 435.527 5.482 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(C)c(C)c2)C1=O 1863254189 PVIKPXXSYUDORP-UHFFFAOYSA-N 429.564 5.728 30 10 IKEE C=CCn1cc(OCC(=O)Oc2ccc(CC)cc2)c(=O)cc1CSc1ccc(C)cc1 1870272487 SEUSPZYPEKASJY-UHFFFAOYSA-N 449.572 5.182 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3cccc(C(F)(F)F)c3)CO4)C2=O)o1 1871344955 KTGJUJXCVKHYCW-FBHDLOMBSA-N 441.405 5.575 30 10 IKEE Cc1c(OC(=O)c2cccc([N+](=O)[O-])c2)ccc2c1O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871373705 FPFYNLPOYLBVKD-QRVIBDJDSA-N 443.455 5.862 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O)c1ccc([N+](=O)[O-])cc1Cl 1871374170 VMNQIYXFHPCPBQ-ZDLGFXPLSA-N 427.821 5.145 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2OCC)C3=O)cc1 1871387752 NFIJTVQCAWEIJA-XYGWBWBKSA-N 444.483 5.710 30 10 IKEE CC(C)(C)c1ccc(OCCOc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871415211 VTDKCDCNGWQKFV-XYGWBWBKSA-N 448.946 6.712 30 10 IKEE CCCCCCCCCCOC(=O)COc1ccc2cc(-c3ccccc3)c(=O)oc2c1 1871427138 PXOOSYIBSKPKMJ-UHFFFAOYSA-N 436.548 6.523 30 10 IKEE CCOC(=O)c1ccc(COc2cc(C)c3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)o1 1871439221 OHSCCEOOZPODGJ-NHDPSOOVSA-N 438.863 5.613 30 10 IKEE COc1ccc(Cl)cc1NC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(C)c1)C2=O 1871452514 JMSRSQRTUSUSFL-KSEXSDGBSA-N 449.890 5.291 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(C)c(C)c2)[nH]c(N(C)CCCC)n1 1871528408 DVTXXEXYBYQASM-UHFFFAOYSA-N 440.680 6.443 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)COc3c(C)ccc(C)c3C)n2)cc1OC 1872760931 BEOQANGJIILHRS-GOSISDBHSA-N 436.533 5.008 30 10 IKEE COc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 1872763164 GLYSLGJQINUXQP-HKMNZKMDSA-N 439.334 5.471 30 10 IKEE COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)s3)cs2)cc(OC)c1OC 1872789370 HFOCOAPVTDXMKN-LLVKDONJSA-N 434.926 5.041 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccco2)=C(c2c(Cl)cccc2Cl)C1=O 1873088941 BZDMHMNIGYHGNI-UHFFFAOYSA-N 449.378 5.817 30 10 IKEE COc1ccc(Br)cc1/C=N/Nc1oc([C@H]2C[C@H]2c2ccccc2)nc1C#N 1873471029 UZKBZQMEHSNFKV-GJPMGDBYSA-N 437.297 5.034 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1cc(C)cc(C)c1)n2CCC 1873619986 QGUAZTMBQXWSIZ-UHFFFAOYSA-N 435.616 6.483 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(Cc3ccc(OC)cc3)nnc2SCC)cc1 1874349973 OBDDQPVXXYKWLL-XIEYBQDHSA-N 438.597 5.441 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(F)c3)n2/N=C/c2cccc(O)c2)cc1C 1874356967 JOMWTRLKHKZBSA-JFLMPSFJSA-N 446.551 5.505 30 10 IKEE Fc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2/N=C/c2cccs2)cc1 1874381698 FQOIUMQZBGDOFT-ZMOGYAJESA-N 442.972 5.897 30 10 IKEE Fc1cccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2cccc(F)c2)c1 1874406368 IEWPCCJFYCZKEM-CVKSISIWSA-N 426.536 5.854 30 10 IKEE Clc1ccccc1CSc1nnc(CC2CCCCC2)n1/N=C/c1cccs1 1874408043 CSXPHPQHOQRKRC-OEAKJJBVSA-N 431.030 6.290 30 10 IKEE COCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccccc1F 1874473877 BAHLFKCJGHCUBT-FOKLQQMPSA-N 439.343 5.087 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874476714 TWEJLIVYPDGDAG-WYMPLXKRSA-N 437.371 6.241 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C(C)(C)C)cc1 1874485193 IUABMUUVJBZAHR-AFUMVMLFSA-N 427.017 6.527 30 10 IKEE CCCCC1CCC(c2nnc(S)n2/N=C/c2cc(Cl)c(OC)c(OC)c2)CC1 1874563502 GBAPXLFKZAVTCA-YDZHTSKRSA-N 437.009 5.584 30 10 IKEE CCOC(=O)c1ccc(COc2cc(/C=C/C(=O)c3ccc(CC)cc3)ccc2OC)o1 1874593758 ANAQMPHTXAQOIZ-MDWZMJQESA-N 434.488 5.502 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)ccc1OCC(=O)Nc1ccccc1 1874606948 OLCWRWRAGAYIFY-JLHYYAGUSA-N 445.515 5.316 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OCC 1874614780 YKHYSGHPGNOXNQ-NTUHNPAUSA-N 443.971 5.662 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(C)cc3)c([N+](=O)[O-])c2)cc1 1874617292 UOQUQPBCRGCZTI-RIYZIHGNSA-N 431.488 6.167 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(OC)c1OCc1cc(C)ccc1C 1874621439 WSBZRLSBKCFBEI-VQHVLOKHSA-N 446.499 5.524 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(Br)c1OCCCO 1874622491 GEARLOSSKUMRGU-IZZDOVSWSA-N 447.369 5.413 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc(/C=C/C(=O)c3cccc4ccccc34)cc2)c1 1874623542 ICXIAGVMTNOEGM-SAPNQHFASA-N 435.523 6.370 30 10 IKEE CCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(OC)cc1 1874683599 ZPHGKSITNASUOK-VWLOTQADSA-N 449.595 5.593 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)C(C)(C)C 1875082618 JWLLHFVETOWSTI-GZTJUZNOSA-N 428.528 6.600 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)CCCSC)c(Br)c1 1875118551 BVFARAIXGBEZPU-PKNBQFBNSA-N 449.366 5.402 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)CCCSC 1875120335 PARJCLLHERCARM-VMPITWQZSA-N 440.895 5.572 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc4ccccc34)cc2Cl)cc1 1875154279 WSEDYFZUABJYPL-RVDMUPIBSA-N 426.899 6.917 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(Br)c1OC(C)=O 1875154864 ZWHCSCQFLJOKMG-VAWYXSNFSA-N 439.305 5.822 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)cc2)cc1[N+](=O)[O-] 1875168569 JYDUOQQPBAWPTQ-UKTHLTGXSA-N 443.499 6.252 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc(OC)c1OC(=O)CCC 1875191779 DLAQRIXDJKABIW-FYWRMAATSA-N 444.527 6.187 30 10 IKEE C=C1CC(C[C@@H](NC)[C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1 1875651696 OWDNXVOMDNELMY-GGXMVOPNSA-N 443.587 5.822 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C)NCCC 1922095076 QHTAULGOUJKZQP-XZOQPEGZSA-N 428.617 5.307 30 10 IKEE CCC[C@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(C)cc1 1945773628 PKQKKCGJYSVVSA-QUCCMNQESA-N 431.577 5.570 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](CSC(C)C)NC(=O)OC(C)(C)C 1975720778 JBENJSHNSZLGIL-VXKWHMMOSA-N 436.662 5.163 30 10 IKEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 1999945235 SAYRABQCOAWUAN-HJPURHCSSA-N 433.524 5.106 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)cc1 2022133053 FNIBKOBQVURJPO-DVECYGJZSA-N 429.561 5.276 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@](C#N)(CN(C)C(=O)OC(C)(C)C)C(C)(C)C)cc1 2032011870 DCGLCXZZXKTKSH-VWLOTQADSA-N 445.604 5.912 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)[C@@H]1CCSC1(C)C 2033645863 OJBVACVRRGAZHM-BBRMVZONSA-N 425.392 5.614 30 10 IKEE CC1(C)OB(c2cc(Cl)cnc2N(Cc2ccccc2)CC2CCCCC2)OC1(C)C 2052558466 YMLKHTUHHADTID-UHFFFAOYSA-N 440.824 5.621 30 10 IKEE C#CC[C@H](NCCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071348167 VUHLOYNTLDDRSE-LSYYVWMOSA-N 429.560 5.270 30 10 IKEE C[C@@H]1CCC[C@]1(C#N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071352571 ALUOVKBSAQQLPB-KPGYKUMBSA-N 427.544 6.208 30 10 IKEE Clc1ccc(N=C2NC3(CCCC3)CS2)c(Cl)c1I 2093950422 JOUHBKCWWRWKBR-UHFFFAOYSA-N 427.138 5.235 30 10 IKEE CC(C)(C)OC(=O)N1CCCc2cc(Nc3ccc(C#N)cc3Br)ccc21 2162420359 UIPOBBGLYZCRDY-UHFFFAOYSA-N 428.330 5.752 30 10 IKEE CC(C)N(C[C@H]1CCCCN1C(=O)OC(C)(C)C)c1ccc(C#N)c(Br)c1 2174810785 QDPWFMWTTSDPIX-GOSISDBHSA-N 436.394 5.325 30 10 IKEE Cc1c(NC(=O)OC(C)(C)C)cccc1C(=O)Nc1ccc(C#N)cc1Br 2181137348 NUZKBEYJZUAOML-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)cc(F)cc1Br 2225592597 GPPYAOJGUPXTST-DOTOQJQBSA-N 433.337 5.237 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)cc1Cl 2230384112 QUTNOHJWEJFMEN-MSOLQXFVSA-N 443.813 5.450 30 10 IKEE C=CCCC1([C@@H](O)c2sc(Br)c(C)c2C)CN(C(=O)OC(C)(C)C)C1 2254925705 RNAUYIQNHXXAHQ-HNNXBMFYSA-N 430.408 5.364 30 10 IKEE O[C@@H](C#Cc1ccccc1F)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2266601754 DSDVDORKNUYDNE-MHZLTWQESA-N 438.498 6.069 30 10 IKEE CCOC(=O)c1ccc(-c2ccc(C=C3SC(=Nc4cc(C)cc(C)c4)NC3=O)o2)cc1 2294025323 GIFVUZRHIIZLJU-UHFFFAOYSA-N 446.528 5.632 30 10 IKEE CCN1C(=C2SC(=NC3CCCCC3)N(c3ccc(C)cc3)C2=O)Sc2ccccc21 2295170759 SYXXEDPXRNHKLT-UHFFFAOYSA-N 449.645 6.565 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](C#Cc1cccc(Br)c1)NCCC 2296219054 KMDXVXRJHNJGLY-PMACEKPBSA-N 435.406 5.028 30 10 IKEE COc1ccc(C=CC(=O)c2c(-c3ccccc3)nc3n(C)c4ccccc4n23)cc1OC 2297578254 FEYADLYHVICVKM-UHFFFAOYSA-N 437.499 5.406 30 10 IKEE CCOc1cc(C=C2C(=O)ON=C2c2ccc(Cl)cc2)ccc1OCc1ccccc1 2313519041 VVHIDAWIFBDMNN-UHFFFAOYSA-N 433.891 5.662 30 10 IKEE O=C1C(=Cc2cccc(Br)c2)SC(=Nc2nccs2)N1C1CCCCC1 2314541991 GGWZDUYQFUUVQH-UHFFFAOYSA-N 448.411 5.842 30 10 IKEE CN1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=Nc1nccs1 2314542792 OQTLQGJDOQWLKX-UHFFFAOYSA-N 446.897 5.199 30 10 IKEE Cc1ccc(COc2ccc(C=Nn3c(C)nnc3SCc3ccc(C)cc3)cc2)cc1 2321068698 ZWVVOHMODRZLBR-UHFFFAOYSA-N 442.588 5.957 30 10 IKEE Cc1cc(OCc2ccc(F)cc2Cl)cc2c1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)O2 2321862806 BGNOCPJCEOLLCV-UHFFFAOYSA-N 439.826 5.891 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3cc(OCc4cccc(F)c4)ccc3C1=O)cn2C 2321888439 AMMOBTDMVQTODC-UHFFFAOYSA-N 429.447 5.521 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(F)cc1)O3)CN(CCc1ccc(F)cc1)CO2 2321937075 SRENEXATVSGHKH-UHFFFAOYSA-N 433.454 5.284 30 10 IKEE Cc1ccc(C=C2Oc3c(cc4c(c3C)OCN(CCCCc3ccccc3)C4)C2=O)o1 2322450166 QSPBDVOXOULGQI-UHFFFAOYSA-N 429.516 5.687 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2cccc(Cl)c2)cc1F 2322711363 GENXVIUWRVBZQY-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(F)cc2)c1OCc1cccc2ccccc12 2322748267 JILWKCMRTDSTLA-UHFFFAOYSA-N 446.905 7.116 30 10 IKEE Cc1c(OC(=O)c2cccnc2)ccc2c1OC(=Cc1c(Cl)cccc1Cl)C2=O 2322807872 MOEPUAFNIRHNCF-UHFFFAOYSA-N 426.255 5.532 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2cc(Cl)ccc2OCc2cccc(Cl)c2)c1C 2322842710 CSIOVATVGVBSJS-UHFFFAOYSA-N 439.382 7.702 30 10 IKEE Cc1cc(OC(=O)Cc2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)O2 2322900917 XVICIISSUJMLEL-UHFFFAOYSA-N 449.846 5.321 30 10 IKEE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1 2322904200 YXOATHXPXLWJIH-UHFFFAOYSA-N 428.484 5.583 30 10 IKEE COC(=O)c1ccc(COc2cccc(C=CC(=O)c3cc(Cl)ccc3OC)c2)o1 2323332262 OLRKTTIKZCYALM-UHFFFAOYSA-N 426.852 5.203 30 10 IKEE Cc1cc(OC(=O)c2c(F)cccc2Cl)cc2c1C(=O)C(=CC=Cc1ccccc1)O2 2323363217 IJQRDGRIFOJDLE-UHFFFAOYSA-N 434.850 6.179 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCC(=O)NCc3ccccc3)c(Cl)c2)cc1 2323464776 GWMFMBOUMMTLID-UHFFFAOYSA-N 433.935 5.494 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)cc(Cl)c1OCc1cccc(C)c1 2323499542 YPKZZWHHSJGAOF-UHFFFAOYSA-N 436.935 6.531 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCc3nc(O)c4ccccc4n3)cc2)cc1 2323536410 TXFRDTAYTBWFML-UHFFFAOYSA-N 438.527 6.153 30 10 IKEE CCCCC1CCC(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2sccc2C)C3=O)CC1 2323653091 HFCSXQQNDFUOQA-UHFFFAOYSA-N 438.589 6.883 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Cl)c1OCc1ccccc1Cl 2323719275 CZIRSPYMEXWGCI-UHFFFAOYSA-N 449.280 6.755 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OCC(=O)Nc1ccc(C)cc1C 2323865888 OLLMCYJCOQHXEE-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OCc1cc(C)ccc1C 2323866014 HRJKOBPBILWWCZ-UHFFFAOYSA-N 440.583 7.132 30 10 IKEE CCCCOc1ccc(C=NNc2nc(-c3ccc(OC)cc3)cs2)cc1OCC 2323874485 UXZKURCVAYTUKA-UHFFFAOYSA-N 425.554 5.842 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3cccc4ccccc34)cc2)cc1C 2324128239 SRMYAUAYHWASPY-UHFFFAOYSA-N 435.523 6.370 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OCC(=O)Nc1ccc(C)cc1 2324261635 VSODKUOEEDZBQU-UHFFFAOYSA-N 437.442 5.195 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccco1)C2=O 2324345605 JRTSTVQDUHHSNG-KRWDZBQOSA-N 431.488 5.481 30 10 IKEE Cc1cccc(OCCOc2ccc3c(c2)OC(=Cc2ccc(-c4ccccc4)cc2)C3=O)c1 2324522521 FHIIYABHNJDWNV-UHFFFAOYSA-N 448.518 6.736 30 10 IKEE O=C1C(=CC=Cc2ccccc2)Oc2cc(OCCCOc3ccc(Cl)cc3)ccc21 2324548028 BCSCNDQGKKVFNA-UHFFFAOYSA-N 432.903 6.360 30 10 IKEE Cc1ccc(OCCCCOc2ccc3c(c2)OC(=Cc2ccc4c(c2)OCO4)C3=O)cc1 2324586367 ZRRVJUQZHCGVNL-UHFFFAOYSA-N 444.483 5.578 30 10 IKEE COc1cc(C(=O)Oc2cccc(C=CC(=O)c3cc(C)ccc3C)c2)cc(OC)c1OC 2325740333 BJURPVAHBGWBKA-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cccc(OC(=O)c3ccc(Cl)cc3Cl)c2)c1 2325740796 JNIMITUCAOSILM-UHFFFAOYSA-N 425.311 6.726 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC(=O)c2cnc(C)cn2)c1 2325752648 XLTMXCHAHYUDAU-UHFFFAOYSA-N 430.504 5.206 30 10 IKEE CCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1ccc(O)c(OC)c1 2326331589 RNTMRVBHWUWDMW-UHFFFAOYSA-N 438.597 5.417 30 10 IKEE CCCOc1ccccc1C=Nn1c(CCc2cccc3ccccc23)nnc1SCC 2326589165 FZFZKHKMUMZYLT-UHFFFAOYSA-N 444.604 6.000 30 10 IKEE COc1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2Cl)c(Cl)c1O 2326697558 GEIOLRPDTBKGMK-UHFFFAOYSA-N 443.743 5.127 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)C1(C#N)CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 2327975667 RTTKDJDTSUCGHI-BFEQZKAHSA-N 449.636 5.732 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc[nH]1 2328017221 ZNZVDSKDMXFBCS-UHFFFAOYSA-N 435.984 5.528 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3cc(C)ccc3C)n2N=Cc2ccco2)cc1 2328567950 UVDSQKCZCYGORX-UHFFFAOYSA-N 446.576 5.652 30 10 IKEE CCCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc(O)c(OCC)c1 2329121594 KDUMWORLVFHGCY-UHFFFAOYSA-N 430.961 5.011 30 10 IKEE COc1ccc(Cc2nnc(SCc3cccc(C)c3)n2N=Cc2ccccc2F)cc1 2329252547 VTNNHUCTUXGSLZ-UHFFFAOYSA-N 446.551 5.500 30 10 IKEE Cc1cccc(CSc2nnc(COCc3ccccc3)n2N=Cc2ccccc2)c1 2329317220 KSYQNYZHTWKMIT-UHFFFAOYSA-N 428.561 5.478 30 10 IKEE CC(C)c1ccc(C=CC(=O)[C@H]2C[C@H](NC(=O)Nc3ccc(C(C)(C)C)cc3)CCN2)cc1 2329669010 QWNQCDOYCOTQDX-JWQCQUIFSA-N 447.623 5.632 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccncc1 2329768740 KRQJNHUUVVAMQT-UHFFFAOYSA-N 437.931 5.231 30 10 IKEE Fc1ccc(CSc2nnc(Cc3ccc(F)cc3)n2N=Cc2ccccc2F)cc1 2329809727 MVWXHHRGOCFWLP-UHFFFAOYSA-N 438.478 5.461 30 10 IKEE C=CCSc1nnc(Cc2ccc(F)cc2)n1N=Cc1ccc(OCCCCC)cc1 2329847264 LXHQSECCGDABQF-UHFFFAOYSA-N 438.572 5.737 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cc(C)ccc3C)n2N=Cc2cccc(C)c2)cc1 2329995258 MPAJWZNANUNDRJ-UHFFFAOYSA-N 440.616 6.277 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2cccc3ccccc23)n1N=Cc1ccco1 2330125324 VHQWDEAKMLOGML-LJQANCHMSA-N 438.556 6.351 30 10 IKEE O=[N+]([O-])c1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2-c2ccccc2)cc1 2330684817 LBYNEHDYLXDPPG-UHFFFAOYSA-N 449.923 5.681 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)cc(Cl)c1OC(=O)c1cccc(C)c1 2330752586 VCFBEPXJMHXMKF-UHFFFAOYSA-N 448.946 6.725 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)cc(Br)c1OC(=O)C(C)C 2330765719 WLBIVRLXVNGYTH-UHFFFAOYSA-N 445.353 5.868 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)Cc1ccc(C)cc1 2331037127 HDMDOSKFMJADDE-UHFFFAOYSA-N 445.471 5.346 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2C2CCCC2)cc1 2331045314 AMIAUUNZXMUKLI-UHFFFAOYSA-N 447.652 6.265 30 10 IKEE O=C(Cc1ccc(F)cc1F)Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1Cl 2331087227 IFUFEJLMVIUVCL-UHFFFAOYSA-N 448.799 5.941 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cc(Cl)ccc2Cl)cc1)c1ccc(Cl)cc1 2331138457 RPICOOBJKCDODA-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)[C@H](C)c1ccccc1 2331183480 QTCIXAHHHBRFKK-HXUWFJFHSA-N 426.512 6.029 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2c(F)cccc2Cl)cc1)c1ccc(Cl)c(Cl)c1 2331239775 XZMPQAQUJHWPAY-UHFFFAOYSA-N 449.692 6.901 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(F)c(F)c1F 2331281876 BABTUSGXZXBBMF-UHFFFAOYSA-N 440.417 5.926 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)CCCOc1ccccc1 2331282026 ULNZFEWYLBEUJR-UHFFFAOYSA-N 444.527 6.054 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2)cc1[N+](=O)[O-] 2331318449 MKBPYCRNSPQEBZ-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(OC)c(OC(=O)c2ccccc2C)c(OC)c1 2331354017 YPEFKPYVWYXJNP-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE C=C(C)CSc1nnc(C(C)(C)C)n1N=Cc1ccc(OCCCCC)c(OC)c1 2331393897 GFEBWVWJWPIOMD-UHFFFAOYSA-N 430.618 5.704 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc(F)cc1 2331411765 LIAFOUSRMNUQDH-UHFFFAOYSA-N 437.371 6.196 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3c(F)cccc3Cl)cc2)cc1F 2331451289 MYSOZJVLWPECCU-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1Cl 2331557043 PUCAZMPDHGVQBI-UHFFFAOYSA-N 430.809 5.802 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)cc2)cc1[N+](=O)[O-] 2331644557 JYDUOQQPBAWPTQ-UHFFFAOYSA-N 443.499 6.252 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)c3cccc(OC)c3)cc2)c1 2331673814 KSPSXIJPHRDCTN-UHFFFAOYSA-N 446.499 5.608 30 10 IKEE CC(C)c1nnc(SCc2cccc(Cl)c2)n1N=Cc1cccc(Br)c1 2331708358 GJDYEDNNJQIKTI-UHFFFAOYSA-N 449.805 5.992 30 10 IKEE CSc1cc(Nc2ccc(I)c(Br)c2)ccc1C#N 2353834080 CAJVDZZJBXJXKJ-UHFFFAOYSA-N 445.123 5.391 30 10 IKEE CC1(C)OB(C=Cc2ccc(N[C@@H]3C[C@@H]4C[C@H](OCc5ccccc5)C[C@H]43)nc2)OC1(C)C 2365054663 XFXYPNYSXUYUEV-CJRSTVEYSA-N 446.400 5.522 30 10 IKEE CCCCN(C)C[C@@H](O)Cn1cc(/C=C/C(=O)c2ccc(OCC)cc2)c2ccccc21 8611841 CIDKBTYELUXBPC-HRNYAPDYSA-N 434.580 5.029 30 10 IKEE O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@H](c1ccccc1Cl)n1c(nc3ccccc31)N2 19639377 BWXHKNBEDGYJPW-CPJLOUKISA-N 443.909 6.245 30 10 IKEE Cc1cc(C)c(/N=C2/N[C@@](c3ccccc3)(C(F)(F)F)Oc3ccccc3O2)c(C)c1 19880881 OOZHSFVXUIIJDM-HSZRJFAPSA-N 426.438 6.076 30 10 IKEE COc1ccc(OC)c([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)c1 21223826 ZAHBZGMXAWUNEJ-XGCWNURASA-N 444.506 5.822 30 10 IKEE Cc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(OCc3ccccc3)cc2)cc1 21251169 FVTWYVQOZAWIGG-NOZRDPDXSA-N 437.539 5.578 30 10 IKEE Cc1cccc(C(=O)/N=C(/NCCc2c[nH]c3ccccc23)Nc2cccc(Cl)c2C)c1 32943316 YBHWPCLOHGPSJH-UHFFFAOYSA-N 444.966 5.879 30 10 IKEE O=C1/C(=C/c2cccc(Cl)c2)Oc2cc(OCc3ccc(Cl)cc3Cl)ccc21 33513965 SNARIQFXWZMJLO-NKVSQWTQSA-N 431.702 6.842 30 10 IKEE C[C@H]1Oc2ccccc2C=C1/C=C1/Oc2cc(OCc3cccc(Cl)c3)ccc2C1=O 33578379 KOEWWJHCGXOYSZ-IXBOPPFXSA-N 430.887 6.243 30 10 IKEE CC(C)CCN(Cc1ccccc1C#N)Cc1cccn1Cc1cccc(C(F)(F)F)c1 35841200 GUVLCCNFQPGFNR-UHFFFAOYSA-N 439.525 6.475 30 10 IKEE C=C[C@](C)(O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)CC1CC1 36308783 QJASSEXZISZCJS-MHZLTWQESA-N 447.579 5.131 30 10 IKEE C=CCn1c(SCc2ccc(C(=O)Nc3ccccc3C)cc2)nnc1-c1cccs1 39850659 UFLVILYGABRASL-UHFFFAOYSA-N 446.601 6.046 30 10 IKEE O=C1/C(=C/c2ccccn2)S/C(=N/c2nc(-c3ccccc3)cs2)N1C1CCCCC1 39866068 CPGUOSBUADTIEQ-AGEIGWASSA-N 446.601 6.142 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)c(C)c2)[C@@H]1c1ccc(C(C)C)cc1 40091820 WDXMRJXMPZUADA-VWLOTQADSA-N 449.591 6.286 30 10 IKEE COc1cccc2cc(C(=O)Oc3cc(C)c4c(c3)O/C(=C\c3cccc(C)c3)C4=O)oc12 41354060 XTSRYRFHPBKDMX-UUYOSTAYSA-N 440.451 5.894 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc4c(c1)OCO4)C3=O)CN([C@@H](C)c1ccccc1)CO2 41588821 JQIIFOKJBSMCTL-GQJRVPCCSA-N 441.483 5.253 30 10 IKEE O=C(Nc1cccc(F)c1)[C@H]1CC(=O)N(Cc2cccs2)/C(=N/c2ccccc2)S1 59109030 KIAJADNXUOYZLW-IPQBESIJSA-N 439.537 5.048 30 10 IKEE Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/N(c3ccccc3)c3ccccc3)cc2)cc1 59154223 WZWSESPFIOFKQE-NHFJDJAPSA-N 442.540 5.935 30 10 IKEE C=C(C)COc1ccccc1NCC(=O)Nc1cccc(C(=O)N(CC)c2ccccc2)c1 66062902 HEFCREBZDNIUIS-UHFFFAOYSA-N 443.547 5.359 30 10 IKEE C=C[C@](C)(/C=C/[C@H](C)CC/C=C(\C)CC[C@@H](C)C(=C)C)CC/C=C(\C)CC[C@@H](C)C(=C)C 95627917 YIERDWVPDSIPLW-XTWKDXBASA-N 438.784 10.809 30 10 IKEE in-vitro Cc1nn(Cc2ccccc2)c(Cl)c1/C=C/C(=O)Nc1ccccc1SCCC#N 97553840 WFQBGTXKNOJGPC-OUKQBFOZSA-N 436.968 5.551 30 10 IKEE C[C@H]1CCCCN1c1ccc(C(F)(F)F)cc1/N=C/c1cc(Cl)cc(Cl)c1O 100152804 KZOBXPOCLOHGMQ-ZVYABZQBSA-N 431.285 6.847 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2cc(OC)ccc2OC)cc1 100153977 JXBRGPQFIAJKEP-UHFFFAOYSA-N 430.570 5.180 30 10 IKEE C=Cc1ccc(COc2ccc3c(c2)O/C(=C/c2cc(OC)c(OC)c(OC)c2)C3=O)cc1 103017727 FPWWIQHWTKLTRM-FSJBWODESA-N 444.483 5.551 30 10 IKEE O=C1C(=O)N(Cc2ccco2)[C@@H](c2ccc(Cl)cc2Cl)/C1=C(/O)c1ccccc1 103224775 CWFYZPLFQJOJOV-HQMFNGAOSA-N 428.271 5.208 30 10 IKEE N#CCCn1cc(/C=C/C(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)c2ccccc21 106030342 IQLKGVWMUVFKCJ-LECGRMGRSA-N 449.558 5.007 30 10 IKEE CCN1C(=S)N[C@@H](c2ccc(Oc3ccc(C)cc3)cc2)C(C(=O)c2ccccc2)=C1C 169932012 FCLQOLKUONYDIF-VWLOTQADSA-N 442.584 6.195 30 10 IKEE CCN1C(=S)N[C@H](c2cccc(OCc3cccc(Cl)c3)c2)C2=C1CCCC2=O 169932910 SHXKPJOCZATOME-JOCHJYFZSA-N 426.969 5.177 30 10 IKEE CCCCCCCCCOc1ccc([C@H]2NC(=S)N(CC)C(C)=C2C(C)=O)cc1OC 169933370 JPEAIUOOWZICOF-XMMPIXPASA-N 446.657 5.939 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2ccc(C)cc2C)c1 169935164 MVYQVNLGTADIOC-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE COc1cc(Br)cc(/C=N\Nc2nc(-c3cccs3)c(C)s2)c1OC 169941665 ZZTJUXXZPVQSAG-OCKHKDLRSA-N 438.372 5.406 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2ccc(Cl)cc2)c1 169969759 CFNFKVGUYWYQQP-OAQYLSRUSA-N 448.862 5.340 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2cccc(C)c2)cc1 169970944 CUPKHPRVKRRFAU-XMMPIXPASA-N 443.499 5.191 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccs2)cc1Cl 169986625 WTUODUPTNBQJSK-IBGZPJMESA-N 444.339 6.146 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2c2ccccc2C)c1 170037302 FKYXUWZWSQWXCD-RUZDIDTESA-N 441.527 5.739 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2C2CCCCC2)c1 170039468 GXPPUSGWLURILC-DEOSSOPVSA-N 449.547 5.313 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccc(F)cc2)cc1C 170064264 NLHYGWKIWBSLNA-QFIPXVFZSA-N 437.417 5.504 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)cc1 170065346 MOZXMSMLHDUGCE-HSZRJFAPSA-N 449.453 5.142 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccco2)cc1Cl 170092177 KRFOJNRBULWJDL-NRFANRHFSA-N 449.846 5.471 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccc(C)o2)c1 170102499 AFXYWPOPEOVNRI-NRFANRHFSA-N 437.879 5.029 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1c1cccc(Cl)c1 170106967 ADDQZFBEOMLSLW-GOSISDBHSA-N 444.339 6.146 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@@H]1c1cccc(OC)c1 170120337 SDRGRVJNJRTUGN-NRFANRHFSA-N 443.927 5.126 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccc(N(C)C)cc1 170129428 QOCUPDSFJZWDMO-QHCPKHFHSA-N 431.536 5.002 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2cccs2)cc1 170157610 NYAGNEFRVALUQV-JOCHJYFZSA-N 449.528 5.327 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2cccs2)c1C 170158706 NFQWBIGVPLRRKN-QHCPKHFHSA-N 447.556 5.935 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccn2)ccc1OCC(C)C 170173298 KUMWZUDLXSAVDB-XMMPIXPASA-N 442.515 5.208 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccccn2)c(C)c1 170175410 QNEYYQSYVCSIFY-DEOSSOPVSA-N 442.515 5.269 30 10 IKEE Cc1ccc(-c2csc(C3=C(N)N(c4ccc(Cl)c(Cl)c4)CC3=O)n2)cc1C 170180267 LCVDQHDPTLKUJF-UHFFFAOYSA-N 430.360 5.450 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2cccnc2)c1 170190438 HSMQRJHQOLCHSG-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(OC)c3)[C@@H]2c2ccncc2)cc1 170201030 YLSSZYWPVOPFAX-QFIPXVFZSA-N 448.906 5.089 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C2CCCC2)cc1 170214733 BLTKMUWPPQEDEY-NRFANRHFSA-N 425.912 5.260 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccc2)c1 170223966 CPHFGLCUZPBRHB-HSZRJFAPSA-N 447.918 5.830 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccccc2)c(C)c1 170226736 BWHFOGAPBHTJPU-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccc(F)cc2)cc1 170239265 QUDUDRZOEZOGND-QHCPKHFHSA-N 447.462 5.103 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc(O)c2)cc1C(C)C 170261828 CTWPDGXYTUCCSY-DEOSSOPVSA-N 449.547 5.435 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc(O)c2)cc1 170261887 FHTZQOSEWZQPRO-DEOSSOPVSA-N 449.547 5.338 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C(C)(C)C)ccc3C)[C@H]2c2ccco2)c(C)c1 170289490 RJAQPBUFOPYETC-XMMPIXPASA-N 443.543 6.285 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(C)o2)cc1C 170303976 IGZUVELGTASWFS-HSZRJFAPSA-N 431.488 5.305 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(N(C)C)cc2)cc1 170378470 JITXRLIRMCTQGK-HSZRJFAPSA-N 430.504 5.252 30 10 IKEE Cn1cc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cccc(Cl)c2)c2ccccc21 170396124 MUWDSMLCJIJVKT-OAQYLSRUSA-N 432.863 5.208 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]2c2cccc(OC(C)C)c2)c1 170474743 NXKQKRKHPCJPFW-JOCHJYFZSA-N 437.536 5.388 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc(OCc3ccccc3)cc2)[C@@H]1c1cccs1 170476150 PGLGKFCEUGXQRT-JOCHJYFZSA-N 447.556 5.842 30 10 IKEE Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1N=Cc1cc2c(cc1[N+](=O)[O-])OCO2 252609376 HSSKSTDPRUHTLN-UHFFFAOYSA-N 435.823 5.844 30 10 IKEE CN(Cc1ccccc1)S(=O)(=O)c1ccc(N=Cc2ccc(Br)cc2)cc1 254519419 AYULRTWIOPWGOF-UHFFFAOYSA-N 443.366 5.020 30 10 IKEE O=S(=O)(Nc1ccccn1)c1ccc(N=Cc2c3ccccc3cc3ccccc23)cc1 254761513 DIXNQUQGZAAUAN-UHFFFAOYSA-N 437.524 5.939 30 10 IKEE Clc1ccc(-c2nc3cc(N=C/C=C\c4ccc(Cl)cc4Cl)ccc3o2)cc1 254824246 RCBUSTNKLMRFRJ-ODIYWHKJSA-N 427.718 7.871 30 10 IKEE C=C1CC[C@@]2(C)[C@@H]([C@@H]1C)[C@H]1CC[C@@H]3[C@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]3(C)[C@]1(C)C[C@H]2O 257446865 IOPDFSGGBHSXSV-ZSYOJTCOSA-N 442.728 6.996 30 10 IKEE endogenous,in-man CCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(F)cc2)c1 526486444 KWZIMGPHJXPZAL-DEOSSOPVSA-N 428.463 5.543 30 10 IKEE CCCCOc1cccc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 526487850 AQQBBLAPWBFRNJ-HSZRJFAPSA-N 430.529 5.856 30 10 IKEE CC(C)(C)c1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccccc2)cc1 526800675 WCANYARRUJXWPO-USHMODERSA-N 440.616 6.341 30 10 IKEE COc1cccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccc(C)cc2)c1 526805142 GTVGRJDYPMKMNP-ONUIUJJFSA-N 428.561 5.360 30 10 IKEE CCCOc1c(/C=N\n2c(C)nnc2SCc2ccc(Cl)cc2)cccc1OC 526806682 QPONVTNDFYGAHA-QRVIBDJDSA-N 430.961 5.212 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccccc2Cl)c1 526809324 ZZOOLQXLDSRKJS-QQXSKIMKSA-N 432.980 6.005 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1cn(CC)c2ccccc12 526809956 YKWKFSBVIBZTQR-YSMPRRRNSA-N 431.609 5.997 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1ccc(Cl)cc1 526823971 CXLIXBYQPYHWMN-YVNNLAQVSA-N 425.772 5.975 30 10 IKEE CCOc1ccc(NC(=O)c2cccc(NC(=O)Nc3ccccc3C#N)c2)cc1OCC 586731748 OCQSEPAWVCAJEY-UHFFFAOYSA-N 444.491 5.252 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H]1C(C)(C)[C@@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 693750860 GZDSOCRZNUCQIV-WYEJZRMESA-N 447.620 5.484 30 10 IKEE CCCCCCC[C@@](C)(C(N)=O)N(C(=O)OC(C)(C)C)c1ccccc1Br 698442102 DCDBOATWINWPQC-NRFANRHFSA-N 441.410 5.795 30 10 IKEE C[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 710723844 FUEKXPANSWUYGT-QMHKHESXSA-N 449.979 5.763 30 10 IKEE COc1cc(C=Nc2ccc(C3CCCCC3)cc2)ccc1OCc1cccc(C(=O)O)c1 1084014103 UFRNHFZHBNNHTM-UHFFFAOYSA-N 443.543 6.771 30 10 IKEE CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(Sc4ccc(C)cc4)o3)S2)cc1 1084165038 DUXSGSNEYCRGCW-XSFVSMFZSA-N 436.558 6.030 30 10 IKEE Cc1cccc(CSc2nc3ccc(N=Cc4c(O)ccc5ccccc45)cc3s2)c1 1084249280 KQXZWDFCEJAKRR-UHFFFAOYSA-N 440.593 7.506 30 10 IKEE COc1ccc(-c2ccc(/C=C3/SC(=Nc4cc(C)ccc4C)NC3=O)o2)c([N+](=O)[O-])c1 1084608299 GBIKQFFULQIBRV-CIAFOILYSA-N 449.488 5.372 30 10 IKEE COc1ccccc1-c1ccc(C(=O)Nc2sc3c(c2C#N)C[C@@H](C)C[C@@H]3C)c(O)n1 1460374534 AIXSEAUOYSRMKO-KBPBESRZSA-N 433.533 5.334 30 10 IKEE O=C1/C(=C/c2cccs2)SC(=NN=Cc2cc(Cl)ccc2O)N1Cc1ccco1 1772759110 LRTIVFMWJQSZIR-ULAWJTDCSA-N 443.937 5.207 30 10 IKEE CCCCCCCCCCn1ccc(=O)c(OCCCOc2cccc(N)c2)c1CC 1857913348 FCNWXPHZPABPAB-UHFFFAOYSA-N 428.617 5.982 30 10 IKEE COc1c(Cl)ccc(Cl)c1-c1nc(C(=O)Nc2cccc(C#N)c2)c2ccccn12 1858342328 VOLGFHUXVDJUMC-UHFFFAOYSA-N 437.286 5.441 30 10 IKEE CCOC(=O)c1sc(NC(=O)c2cc(C(C)C)nc3c(Cl)cccc23)c(C#N)c1C 1859643650 PWJRPPIYORIHCH-UHFFFAOYSA-N 441.940 5.682 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCC)NC(=O)Cc1cc(Cl)ccc1SCC 1861004824 YBJVAGKRBZZEIP-HXUWFJFHSA-N 441.081 5.756 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862385265 LAOHUDNQFLWLDH-RNODOKPDSA-N 432.347 5.933 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(F)cc2)cc1 1862390664 JHPDZPRVNQVCKL-RUZDIDTESA-N 449.566 6.469 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1cccc(C)c1 1862412349 BUCSVTYKYCTXHW-CVDCTZTESA-N 441.518 6.210 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccccc1Cl 1862432913 PVHDKEHBYQJLNH-HXUWFJFHSA-N 448.346 5.387 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(OCC)cc1 1862459487 JLZLSLWSOGHXNM-OAQYLSRUSA-N 447.453 5.271 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1cccc2ccccc12 1862459849 FGZZWZWWCVQRLB-NRFANRHFSA-N 425.406 5.244 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2cccc(O)c2)ccc1F 1862507802 UOGOGLOJMSRGRH-HJPURHCSSA-N 431.463 5.179 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1cccc(O)c1)c1ccc2c(c1)CCCC2 1862544489 FDSSNQCXMHOSSJ-VWLOTQADSA-N 439.511 5.050 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1F 1862583456 BNSGVDVUEDUDDI-GOSISDBHSA-N 440.273 5.650 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 1862614325 ATEHHBGDEWPPDT-GGAORHGYSA-N 433.548 5.050 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(C)cc2)cc1F 1862636912 RDJPYUSZTKUMQU-HSZRJFAPSA-N 437.511 5.444 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2cccc(F)c2)cc1F 1862637375 FRADQGTZKUPTCY-QHCPKHFHSA-N 449.453 5.060 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1cccc(O)c1)c1cccc2ccccc12 1862648676 IDSLGOHJSBPJLE-AREMUKBSSA-N 449.506 5.366 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc2c(c1)OCCO2 1862666403 CVEDBVZYNIYZAW-XMMPIXPASA-N 449.547 5.350 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2Cl)[C@H]1c1ccc(F)cc1)c1ccc(F)cc1 1862673293 LLSDBPXOPRFLBG-NRFANRHFSA-N 439.845 5.397 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCCc2ccccc2)c1 1862674383 MVEHEOLZHZKEDC-VWLOTQADSA-N 443.518 5.735 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(F)cc2)=C(O)C(=O)N1CCCc1ccccc1 1862674864 WGVODJMSZXBGOA-DEOSSOPVSA-N 429.491 5.345 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@@H]2c2cccc(C)c2)cc1 1862687302 IUQRFSRXZOPGMR-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2cccc(C)c2)c1 1862698497 IKSJPKSOYDJXOL-XMMPIXPASA-N 431.532 5.472 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(C)cc1 1862722733 XWJAEZHSHBFLPZ-SANMLTNESA-N 439.555 6.431 30 10 IKEE C=CCN(CC=C)c1cc(N2CCS[C@H](c3ccc(OC)cc3)C2)nc(C(C)(C)C)n1 1869195805 NJAYQIHSHDPCAD-NRFANRHFSA-N 438.641 5.256 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3nc[nH]c3[C@@H]2C)nc(-c2ccc(C(C)(C)C)cc2)n1 1869356969 CLCNTVJIJVAYGZ-IBGZPJMESA-N 442.611 5.466 30 10 IKEE CCCCCCCOc1cn(Cc2ccccn2)c(CN2C[C@@H](C)C[C@H](C)C2)cc1=O 1870414783 ZVWDOQDPDCSBGM-VXKWHMMOSA-N 425.617 5.119 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(CC)cc2)c(=O)cc1CN(CC)CCO 1870465165 OELPFKLRXMMMQB-UHFFFAOYSA-N 442.644 5.164 30 10 IKEE CCCCCCCOc1cn(CCCOC)c(CNc2ccc(OC)cc2C)cc1=O 1870830694 WQCHHQTVJVYUQY-UHFFFAOYSA-N 430.589 5.163 30 10 IKEE C#CCOc1cn(Cc2ccccc2C)c(CNc2cc(Cl)cc(Cl)c2)cc1=O 1871007220 RKHIQCZYBPUQLF-UHFFFAOYSA-N 427.331 5.136 30 10 IKEE C#CCOc1cn(CCC(C)C)c(CNc2ccc(Cl)c(C(F)(F)F)c2)cc1=O 1871009241 LPLUETZTMZZKAW-UHFFFAOYSA-N 426.866 5.191 30 10 IKEE COc1ccc([C@H](C)N2COc3cc(C)c4c(c3C2)O/C(=C\c2cccc(F)c2)C4=O)cc1 1871354746 ZRDQUVJHIVPVBB-GHRPQRKGSA-N 445.490 5.672 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4cccs4)cc(C)c3C2=O)cc1 1871381094 NULZNKIHVFYUJP-LAUHTZEZSA-N 432.497 5.690 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2OCC)C3=O)c1 1871389016 UOSCSMHZJZEZEN-XYGWBWBKSA-N 442.467 5.486 30 10 IKEE Cn1cc(/C=C2\Oc3cc(OC(=O)CCc4cccs4)ccc3C2=O)c2ccccc21 1871391679 DKLWXPXCMWINSF-QRVIBDJDSA-N 429.497 5.394 30 10 IKEE Cc1cc(O)c(CN2CCC[C@H](C)C2)c2c1C(=O)/C(=C/c1cccc(Br)c1)O2 1871396510 KDHRYBPDFHYMEZ-GNKPEBMXSA-N 442.353 5.311 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccc(C)cc4C)ccc3C2=O)cc1 1871411133 KWVJRSURVFQJCB-ILRHRSLTSA-N 427.500 5.634 30 10 IKEE COc1ccc(OCCOc2ccc3c(c2)O/C(=C\c2cn(C)c4ccccc24)C3=O)cc1 1871414245 CSZHXMVMONOSNZ-YSMPRRRNSA-N 441.483 5.261 30 10 IKEE CCOC(COc1ccc2c(c1C)O/C(=C\c1cn(CC)c3ccccc13)C2=O)OCC 1871416119 MRNCHMNUHQABSS-UCQKPKSFSA-N 435.520 5.364 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1ccc2c(c1C)O/C(=C\c1sccc1C)C2=O 1871428926 ATKRQRDKZMAZLX-SLOMDMAXSA-N 442.577 6.262 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O 1871431212 IZRIFQINQABTNP-SUVVMJBMSA-N 447.918 5.979 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccc(Cl)cc4)c3C)C2=O)cc1 1871440668 AWSRCAGKPGKAIK-UCQKPKSFSA-N 447.918 5.845 30 10 IKEE Cc1cc(OCC(=O)Nc2ccccc2)cc2c1C(=O)/C(=C/c1cn(C)c3ccccc13)O2 1871459861 HWHYHCWSIDBWHD-CFRMEGHHSA-N 438.483 5.120 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(C)c(C)c2)[nH]c(N2C[C@H](C)O[C@H](C)C2)n1 1871525992 ANFPAEYJKUSLMF-OYRHEFFESA-N 440.636 5.040 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(OCC)cc2)[nH]c(N(CC)CC)n1 1871532649 AZXMILBVSBODBA-UHFFFAOYSA-N 442.652 5.835 30 10 IKEE CCCCCCCCCCN=c1nc(N2CCC(C)CC2)[nH]c(=Nc2cccc(C)c2)[nH]1 1871651425 ZZXVNLSWKZGEJF-UHFFFAOYSA-N 438.664 5.556 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(-c2ccccc2C)cc1)C(C)C)S(=O)(=O)CCCC 1872203926 RNRBPOXVSSRXCC-XMMPIXPASA-N 442.625 5.243 30 10 IKEE COc1cc(-c2csc([C@H](C#N)C(=O)Cc3ccc(F)cc3)n2)c(OC)cc1Cl 1872781880 ZNDZQUOHEMXBOT-OAHLLOKOSA-N 430.888 5.039 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)c2cccc(OC(C)=O)c2)n1 1872786304 HDWMQEUSMLHFFM-GOSISDBHSA-N 440.908 5.196 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCC)=C(c2cc(F)c(F)cc2F)C1=O 1873059326 GFERAMLZBWXRLZ-UHFFFAOYSA-N 438.534 5.714 30 10 IKEE N#Cc1cccc(NC2=C(c3cccc(Cl)c3Cl)C(=O)N(C3CCCCC3)C2=O)c1 1873338459 YKVNNBLHHLUIFJ-UHFFFAOYSA-N 440.330 5.390 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)c(Cl)c2)cc2c(NCCC3=CCCCC3)ncnc21 1873638911 BTAOQAULILKKCW-UHFFFAOYSA-N 449.986 6.134 30 10 IKEE COc1cccc(/C=N/Nc2ccnc(Cl)n2)c1OCc1c(Cl)cccc1Cl 1873795699 XUILIQUDUGAFMI-YSURURNPSA-N 437.714 5.470 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](C)Oc1ccc2c3c(c(=O)oc2c1C)CCC3 1873935109 IJRHJCCKFQYMRT-LJQANCHMSA-N 427.585 5.614 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1cc(C)ccc1O 1874265272 PVFPZFFEAHNYMF-FOKLQQMPSA-N 428.945 5.075 30 10 IKEE CSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1cccc(Br)c1 1874268598 FUILVSZBQDLOEI-OEAKJJBVSA-N 437.366 5.389 30 10 IKEE Cc1ccc(/C=N/n2c(Cc3cccc4ccccc34)nnc2SCc2ccccc2)cc1 1874269947 XJNVBYULZXLDOW-VUTHCHCSSA-N 448.595 6.505 30 10 IKEE C(=N/n1c(Cc2cccc3ccccc23)nnc1SCCc1ccccc1)\c1cccnc1 1874270575 YEQUZZHOMPWXIP-ZTKZIYFRSA-N 449.583 5.634 30 10 IKEE C=CCSc1nnc(COc2ccccc2OC)n1/N=C/c1ccc(C(C)(C)C)cc1 1874289991 INIKLCMGLIXXQR-PCLIKHOPSA-N 436.581 5.324 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1cccs1 1874337411 SUAOGSJZBDOXRU-ZVHZXABRSA-N 439.009 6.067 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1cccnc1 1874363920 YVBXEMLKYYOKDW-JVWAILMASA-N 447.995 5.595 30 10 IKEE Cc1ccccc1CSc1nnc(COc2ccccc2)n1/N=C/c1ccc(F)cc1 1874382823 KGBSZVUVAFCTFV-CVKSISIWSA-N 432.524 5.479 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccccc2C)cc1 1874388400 KMPFUWJXBWCSBP-JVWAILMASA-N 430.552 5.799 30 10 IKEE Clc1cccc(CSc2nnc(Cc3cccs3)n2/N=C/c2ccncc2)c1 1874414172 FXHOPTIWPSOUOO-YDZHTSKRSA-N 425.970 5.153 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2ccccc2C)c1 1874426694 VTEJNHUFTDEIPV-WGOQTCKBSA-N 441.560 5.175 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2C(C)(C)C)cc1 1874482770 MPROZCPRZJEOCF-WGOQTCKBSA-N 440.588 6.068 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(C(=O)O)cc1 1874485757 LFNNKKMLLYOJJM-FSJBWODESA-N 428.945 5.102 30 10 IKEE C=C(C)CSc1nnc(CC(C)C)n1/N=C/c1ccc(OCCCCC)c(OCC)c1 1874489955 SYFGQOUURNTZGQ-PCLIKHOPSA-N 444.645 5.995 30 10 IKEE COc1cccc(/C=N/n2c(CC(C)C)nnc2SCc2ccc(Cl)cc2Cl)c1 1874492661 YHYQSOBDOGTWJT-WYMPLXKRSA-N 449.407 5.967 30 10 IKEE CSc1nncn1/N=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1874533956 KFSIEDBTXNOUNX-CVKSISIWSA-N 430.533 5.040 30 10 IKEE CCOc1cc(/C=N/n2c(S)nnc2C(C)(C)C)ccc1OCc1ccc(Cl)cc1 1874559367 NBBRIVVWFZMIFX-ZMOGYAJESA-N 444.988 5.378 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2cc(C)cc(C)c2)cc1 1874573280 FVZVCCKGPWDKMZ-FOCLMDBBSA-N 441.571 6.560 30 10 IKEE CCc1ccc(NC(=O)COc2ccc3ccccc3c2/C=C/C(=O)c2ccccc2)cc1 1874578448 OLMAEBYHDNCISG-ISLYRVAYSA-N 435.523 6.316 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OCc3ccc(F)cc3)c2)cc1OCCC 1874594513 ONBFUYVMFUPLND-GXDHUFHOSA-N 448.534 6.878 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OCc3c(F)cccc3Cl)c([N+](=O)[O-])c2)c1 1874605628 XGMSNRJXXFZDBK-CSKARUKUSA-N 441.842 5.871 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(OC)c1OCc1cccc(Cl)c1 1874612286 NCOJGOYNHAGQGO-MDZDMXLPSA-N 443.326 6.486 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(OC)c1OCc1ccc(Cl)cc1 1874613158 FZXMYKAVLXMLQG-LFYBBSHMSA-N 443.326 6.486 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1C 1874613214 IPJMZUDICHVAQD-KPKJPENVSA-N 427.327 6.786 30 10 IKEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2[N+](=O)[O-])o1 1874614616 VJJUPKAOZGHBOS-XNWCZRBMSA-N 441.823 5.103 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OCc1cccc(C)c1 1874633018 ICHPVXVPSPKJPH-ZRDIBKRKSA-N 434.963 7.139 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)CCc3ccccc3C)c2)c1 1874694546 IYBZCZXACJPKRW-SDNWHVSQSA-N 430.500 5.447 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OC(=O)CCCOc2cccc(C)c2)c1 1874704187 BCJWGYKEILOIFL-BUHFOSPRSA-N 444.527 5.973 30 10 IKEE Cc1cccc(C)c1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1 1875096283 GTIONACUJRZONK-SFQUDFHCSA-N 436.507 6.337 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(Cl)c1OC(=O)C(F)(F)F 1875102568 XQBRQUAOGODVDP-BQYQJAHWSA-N 428.790 5.111 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C2CCCC2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 1875105166 HECPGWZPFHUEFB-WEVVVXLNSA-N 434.275 5.893 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1Cl 1875120688 FVVNBNIKZDHPLI-UXBLZVDNSA-N 428.818 5.742 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OCC)cc3)cc2)cc1 1875129587 KAKKJKNSTOOIAV-GIJQJNRQSA-N 430.500 5.528 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1 1875155599 KOEGADIPAZGGPG-QLKAYGNNSA-N 449.890 6.487 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(C)c([N+](=O)[O-])c1 1875158541 ARZBFDROOMVDPA-LFYBBSHMSA-N 449.434 5.556 30 10 IKEE CCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc1OC 1875161168 BTABRJYZMFZDFC-CSKARUKUSA-N 430.928 5.866 30 10 IKEE C#CCC[C@@H](NCCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875661270 NIDPKOQCHDLDIV-UHSQPCAPSA-N 443.587 5.660 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1880461188 OTFNCFRUZOHUEK-KBMIEXCESA-N 443.588 5.353 30 10 IKEE C=C([C@H](NCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C)[Si](C)(C)C 1923026577 JBTRYPWUOWAHBW-KRWDZBQOSA-N 427.459 5.880 30 10 IKEE CC1(C)CC[C@@H](Nc2ccc(Br)cc2C#N)[C@H](CNC(=O)OC(C)(C)C)C1 1927067894 FTOUTPOGWQVFDU-MAUKXSAKSA-N 436.394 5.452 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)c1c(Br)cccc1Br 1937850576 SKIPLRVGFGWTDC-UKRRQHHQSA-N 448.199 5.071 30 10 IKEE CCCCCCCCC[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1951704649 GCMCRVDIMVMZTN-MHZLTWQESA-N 437.580 6.509 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2031496987 JALNCWOVEBKYTA-NBGIEHNGSA-N 449.636 6.066 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)c1 2031660420 NDFDHPURPJWSDT-HXUWFJFHSA-N 441.503 6.179 30 10 IKEE N#Cc1ccc(Nc2cc(Br)c(Br)c(Br)c2)cc1 2034335554 TZOLDEYXJLORDY-UHFFFAOYSA-N 430.925 5.589 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(Cl)ccc(Br)c1F 2063089900 GRHZNFNATOXWQI-CZUORRHYSA-N 435.765 5.362 30 10 IKEE COc1ccc([C@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C2(C)CC2)c(C)c1 2079926077 WOQXJSYABMXZAW-SFHVURJKSA-N 432.362 5.212 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCC)c2cc(Br)ccc2F)C1 2126628343 VOXONXSKTCZYSQ-KRWDZBQOSA-N 427.358 5.100 30 10 IKEE CCN(CC)CCN[C@H](C#N)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134725566 LCPDAYSAWBNJGS-AREMUKBSSA-N 443.591 5.341 30 10 IKEE CCCCCCCCCC[C@H](O)c1c(Br)sc(Br)c1Cl 2164492859 NABSTKJPFWAIDO-NSHDSACASA-N 446.676 7.491 30 10 IKEE CC(C)(C)OC(=O)N1CCCC12CCC(C#N)(Nc1ccc(Br)cc1)CC2 2167915650 QNCMQERZHJENIM-UHFFFAOYSA-N 434.378 5.467 30 10 IKEE CN[C@@H](C#CC(C)(C)C)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2225474844 RSPGOXCKEBIGDU-LBNVMWSVSA-N 443.587 5.516 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1sc(C)c(Br)c1C 2226138824 LVJVQGRYIXOZAA-NVXWUHKLSA-N 443.451 5.475 30 10 IKEE CCCCCCCC(=O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229128441 CCDFRCCPXLWRJL-GOSISDBHSA-N 426.395 5.815 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)cc1CC 2229256019 SAGNQQIHKFGBBJ-RTBURBONSA-N 425.411 5.522 30 10 IKEE CC(C)(C)N(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2243422385 CVYMBHGAYZAVJG-UHFFFAOYSA-N 433.810 5.142 30 10 IKEE CC1(C)OB(c2ccsc2C(=O)N(Cc2ccccc2)CC2CCCCC2)OC1(C)C 2255705288 SHFJSYBUJSUSLH-UHFFFAOYSA-N 439.430 5.270 30 10 IKEE O=C(C#Cc1ccc(Br)cc1)c1cc(Br)c(Br)s1 2264115583 ITRALLVXLGFJBF-UHFFFAOYSA-N 448.961 5.270 30 10 IKEE C=C(C)CC[C@@H](OCCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2276224692 WYUQSYMAEAZLQN-HHHXNRCGSA-N 445.603 6.607 30 10 IKEE Cc1cccc(C(=O)Nc2cccc(OCc3ccccc3)c2)c1B1OC(C)(C)C(C)(C)O1 2282688506 UWZOSLPFCOJZCM-UHFFFAOYSA-N 443.352 5.126 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)C(=O)C#CC1CCCCC1 2289646042 GMESXDLWKRLUAW-IBGZPJMESA-N 434.374 5.038 30 10 IKEE CCN[C@@H](C#Cc1cccc(Br)c1)C(C)(C)[C@@H](CC)NC(=O)OC(C)(C)C 2296275250 YVMOFQMCNRUESE-MOPGFXCFSA-N 437.422 5.108 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(CCC(=O)C#Cc2ccc(Br)cc2)cc1 2296289003 NDMLEOYGWAAKHV-UHFFFAOYSA-N 428.326 5.350 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)CC[C@H](CC)NC(=O)OC(C)(C)C 2296311021 QVCFFQLWRFSSSD-VQTJNVASSA-N 437.422 5.252 30 10 IKEE C=CCOc1ccc(C=C2SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)cc1 2297307839 IPFXDCQCLKYLTJ-UHFFFAOYSA-N 426.541 6.056 30 10 IKEE C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=NO)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 2297475077 IBHLVHLIYYDTRV-QWJJAYLBSA-N 439.728 8.494 30 10 IKEE CCCCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1cccc(F)c1 2318571045 AYYDVHFSPGJIKD-UHFFFAOYSA-N 437.371 6.241 30 10 IKEE CCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1N=Cc1ccc(C(C)C)cc1 2320992368 SBEHXUCOSMZHNZ-UHFFFAOYSA-N 435.597 5.194 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(C)n1N=Cc1c(Cl)cccc1Cl 2321090497 XSFNTRGIFPYNHE-UHFFFAOYSA-N 448.379 5.069 30 10 IKEE CCN(CC)CCCCN1COc2ccc3c(c2C1)OC(=Cc1ccc(Cl)cc1)C3=O 2322122778 SMBROYCATPYWQQ-UHFFFAOYSA-N 440.971 5.230 30 10 IKEE CCOCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1c(Cl)cccc1Cl)C3=O 2322145766 RQPWFWZIWPZBFU-UHFFFAOYSA-N 448.346 5.497 30 10 IKEE C[C@@H]1CCCC[C@H]1N1COc2ccc3c(c2C1)OC(=Cc1cn(C)c2ccccc12)C3=O 2322146173 OLOSKOBDZHUJAJ-VGOFRKELSA-N 428.532 5.525 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1c(Cl)cccc1Cl)O3)CN(CCC(C)C)CO2 2322236356 VSLCKDXYQHLSTJ-UHFFFAOYSA-N 432.347 6.116 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(S)nnc1CCCOc1ccc2ccccc2c1 2322274131 MAZRKBJAMWTHMG-UHFFFAOYSA-N 446.576 5.401 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccco1)C3=O)CN(CCc1c[nH]c3ccccc13)CO2 2322284134 NFICCPVFOJQGAN-UHFFFAOYSA-N 426.472 5.080 30 10 IKEE Cc1c(OC(=O)c2cccc(Cl)c2)ccc2c1OC(=Cc1ccc(N(C)C)cc1)C2=O 2322916003 QGQGJTRBBUSZKY-UHFFFAOYSA-N 433.891 5.550 30 10 IKEE C=C(C)COc1c(OC)ccc(C=CC(=O)c2cc(C)c(OC)cc2C)c1Br 2323318457 NJTHJXFNRSNHMC-UHFFFAOYSA-N 445.353 5.934 30 10 IKEE CCN(CC)C(=O)COc1c(OC)cc(C=CC(=O)c2ccc3ccccc3c2)cc1OC 2323396332 XYZWQXPHZUQWLY-UHFFFAOYSA-N 447.531 5.000 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)C=Cc4cccc([N+](=O)[O-])c4)ccc3C2=O)cc1 2323433471 NFQPSKNCSAPVEE-UHFFFAOYSA-N 441.439 5.392 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)cc(Cl)c1OCC(=O)N(CC)CC 2323472579 RHDHZSMDBGFEPC-UHFFFAOYSA-N 443.971 5.444 30 10 IKEE Sc1nnc(CCc2ccccc2)n1N=Cc1cccc(OCc2ccc(Cl)cc2)c1 2323503896 QNLIVNOLVOEHLH-UHFFFAOYSA-N 448.979 5.467 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(OC)c1OCc1ccc(F)cc1 2324084369 BLYCYMLQRCBKQE-UHFFFAOYSA-N 436.435 5.047 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OCC(=O)NCc1ccco1 2324151835 PMIRWMPCCNTVSO-UHFFFAOYSA-N 441.483 5.033 30 10 IKEE CCCCOC(=O)COc1cc(C)c2c(c1)OC(=Cc1c(Cl)cccc1Cl)C2=O 2324297906 NTYWTXNYMQCENQ-UHFFFAOYSA-N 435.303 5.640 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2C)C3=O)c1 2324455741 PXAAIIGIKGGPFR-IBGZPJMESA-N 427.500 5.634 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccc(Cl)cc4)ccc3C2=O)cc1 2324610110 QOUZEMAPAXSGIE-MRXNPFEDSA-N 433.891 5.671 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(O[C@H](C)C(=O)Nc3ccc(Cl)cc3)c2C)C1=O 2324612026 HERNZXSEZXIPAO-QGZVFWFLSA-N 447.918 5.979 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)ccc1OCc1cccc(F)c1 2324693479 ZKHLWHHVXDPYAA-UHFFFAOYSA-N 442.486 6.471 30 10 IKEE COc1ccc(C=CC(=O)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1OC 2325513502 RHTXWLFVDHLRSF-UHFFFAOYSA-N 437.879 5.371 30 10 IKEE CCOc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2cccs2)C3=O)cc1 2325705378 WZZUFWCEGJWNTK-UHFFFAOYSA-N 435.501 5.089 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccccc2Br)c1)c1ccccc1Cl 2325717700 URGDEKBGVSEDEK-UHFFFAOYSA-N 441.708 6.218 30 10 IKEE O=C(COc1cc(F)ccc1F)Oc1cccc(C=CC(=O)c2ccccc2Cl)c1 2325718070 VEPBEOXPNFAKGR-UHFFFAOYSA-N 428.818 5.499 30 10 IKEE O=C(C=Cc1cccc(OC(=O)C2(c3ccc4c(c3)OCO4)CC2)c1)c1cccc(Cl)c1 2325728804 HRCJFIHXZRTOGK-UHFFFAOYSA-N 446.886 5.602 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)c1C 2325737810 JLUKBPBYAFLFMK-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE Cc1cccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccc(F)cc2)C3=O)c1C 2325737996 GJHFYFXYTDCGCT-UHFFFAOYSA-N 431.463 5.385 30 10 IKEE Cc1ccc2oc(=O)cc(COc3ccc4c(c3C)OC(=Cc3ccc(F)cc3)C4=O)c2c1 2325741648 WOVCBXOUXKSZAE-UHFFFAOYSA-N 442.442 5.744 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1OC(=O)c1ccc(C(F)(F)F)cc1 2325751023 DHONVAVNKOQCGP-UHFFFAOYSA-N 444.380 5.968 30 10 IKEE Cc1ccc(C)c(OCC(=O)Oc2cccc(C=CC(=O)c3ccc(F)c(F)c3)c2)c1C 2325753514 FFRMVVZOLNXKKT-UHFFFAOYSA-N 436.454 5.771 30 10 IKEE CCCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1ccc(F)cc1 2325905732 VJLFFSSRJVTDKG-UHFFFAOYSA-N 440.588 5.986 30 10 IKEE Cc1cc(C)cc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccc(C)o2)c1 2326418119 GFXOTIXEAMEQDH-UHFFFAOYSA-N 430.577 5.756 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SC)n1N=Cc1c(Cl)cccc1Cl 2326423548 LWVOXEUUBAMYBQ-UHFFFAOYSA-N 449.363 5.333 30 10 IKEE CCOc1c(Cl)cc(C=Nn2c(C)nnc2SCc2cc(C)ccc2C)cc1Cl 2326589565 OKQBYBUOOJHVRU-UHFFFAOYSA-N 449.407 6.083 30 10 IKEE Cc1cccc(OCCCc2nnc(SCc3ccccc3F)n2N=Cc2ccc[nH]2)c1 2327010398 DWRITSAVPOYNLK-UHFFFAOYSA-N 449.555 5.240 30 10 IKEE C=C(C)CSc1nnc(COc2cc(F)ccc2F)n1N=Cc1ccc(Cl)cc1 2327460093 WERYPUDHOPDNAB-UHFFFAOYSA-N 434.899 5.339 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc(OC)c2)n1N=Cc1cccc(Cl)c1 2328636549 NFBJONSVFPHWCD-UHFFFAOYSA-N 426.973 5.276 30 10 IKEE C=CCN(CC=C)C(=O)Oc1ccc(CNC(=O)C=Cc2ccc(Cl)cc2Cl)cc1 2328863572 NOYRXDAQLKOMIS-UHFFFAOYSA-N 445.346 5.496 30 10 IKEE Cc1cccc(CSc2nnc(COCc3ccccc3)n2N=Cc2ccc(O)cc2)c1 2329315854 WRRMACPXYLADAT-UHFFFAOYSA-N 444.560 5.183 30 10 IKEE Cc1ccc(C)c(CSc2nnc(COc3ccccc3)n2N=Cc2sccc2C)c1 2329919029 LIHXNCUUTBYKAQ-UHFFFAOYSA-N 448.617 6.018 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2N=Cc2ccccc2C)cc1 2330032607 BHXMJKSGFMGZDQ-UHFFFAOYSA-N 447.007 6.314 30 10 IKEE COc1cccc(C=Nn2c(SCCc3ccccc3)nnc2[C@@H](C)c2ccccc2)c1 2330110901 VTIYVSNJQSJMKZ-FQEVSTJZSA-N 442.588 5.656 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2cccs2)n1N=Cc1ccc(F)cc1F 2330330609 QCJYJAQOLUEBLW-UHFFFAOYSA-N 440.544 5.692 30 10 IKEE C=C(C)CSc1nnc(Cc2cccs2)n1N=Cc1cccc(OC)c1OCCC 2330377551 UNNXVJXFZBFANO-UHFFFAOYSA-N 442.610 5.278 30 10 IKEE CCSc1nnc(-c2cccs2)n1N=Cc1ccc(OCc2ccc(C)cc2)cc1 2330569134 MCEXDWBZQGSFTK-UHFFFAOYSA-N 434.590 5.888 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1 2330592793 IGMFMLCAKWPSPD-UHFFFAOYSA-N 448.518 6.406 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1 2330678512 CPZLWPHNBUYPIA-UHFFFAOYSA-N 444.958 6.653 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)c1ccccc1C 2331084143 OKYKJYRFMMFOMC-UHFFFAOYSA-N 442.845 6.051 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3ccccc3F)nnc2C(F)(F)F)c1 2331136449 DWMJPTLOSMYYPE-UHFFFAOYSA-N 438.450 5.399 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 2331149810 WWIGERHAJLQGIY-UHFFFAOYSA-N 435.863 5.683 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2)cc1 2331259370 VSLZGGGHFOMEPR-UHFFFAOYSA-N 426.468 5.257 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc(Br)c1OC(=O)CC(C)C 2331282342 HHIVHDMIKDCRMF-UHFFFAOYSA-N 445.353 6.004 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 2331295683 REMDUOHFBRNPQF-UHFFFAOYSA-N 431.444 5.499 30 10 IKEE COCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1c[nH]c2ccccc12 2331295950 YMBMDSUQWWCWTP-UHFFFAOYSA-N 441.560 5.276 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(C3CCC3)n2N=Cc2ccccc2Cl)cc1 2331502914 KAPCXDARTIBFEP-UHFFFAOYSA-N 427.917 5.282 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)CC3CCCCC3)cc2)c1 2331673596 ASWUTENKQAHYOM-UHFFFAOYSA-N 436.548 6.256 30 10 IKEE CC(C)c1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(Cl)c(Cl)c1 2331702121 QLJXJJYZOKAHHE-UHFFFAOYSA-N 439.799 6.536 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C3CC3)n2N=Cc2ccc(C(C)C)cc2)c1 2331729239 RLOVOEBOJQMMRN-UHFFFAOYSA-N 433.581 5.200 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cc(OC)c(OC(=O)C2CCC2)c(OC)c1 2331741578 FAIJKAGLZUPJJB-UHFFFAOYSA-N 444.911 5.276 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)cc2)c(C)c1 2331762871 YYUOYYWNOVNTEQ-UHFFFAOYSA-N 439.338 7.034 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2OC)ccc1OC(=O)c1cccs1 2331885137 CDRIEASOBCMAGS-UHFFFAOYSA-N 428.893 5.534 30 10 IKEE CCN[C@@H](C#CC1CC1)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2337423890 FNSQUHKWYJPPRD-WNJJXGMVSA-N 441.571 5.270 30 10 IKEE CC[C@](C)(CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)N(C)Cc1ccccc1 2339540888 CWNKNRKQKUDRNC-ZMNABIIRSA-N 435.421 5.439 30 10 IKEE CC(C)(C)c1ccc2oc(-c3ccc(/N=C/C=C/c4ccc([N+](=O)[O-])cc4)cc3)nc2c1 1921061 OKWZDIYDMBCAMI-BLZGDTNESA-N 425.488 7.116 30 10 IKEE CCCCCCCCOc1ccc(/C=C2/N=C(/C=C/c3ccc(Cl)cc3)OC2=O)cc1 2942436 NJLKJPDFTKJZSY-IXTZJETLSA-N 437.967 7.089 30 10 IKEE C=CCn1c(SCc2cccc(C(=O)O)c2)nc2scc(-c3ccc(C)cc3)c2c1=O 8950539 NEHQZMJTRDHTCX-UHFFFAOYSA-N 448.569 5.610 30 10 IKEE Cc1ccc(N2Cc3ccccc3/C2=N/C(=O)c2ccc(-c3ccccc3)cc2)cc1Cl 12592101 KMXVVWICWBYRAB-IKPAITLHSA-N 436.942 6.923 30 10 IKEE Cc1ccc(C)c(N/C(=N\C(=O)c2ccc(Cl)cc2)NCCc2c[nH]c3ccccc23)c1 32943325 MZKTYZDJNYWPOZ-UHFFFAOYSA-N 444.966 5.879 30 10 IKEE CCn1nc(C)c(CN/C(=N/C(=O)c2cccc(Cl)c2)Nc2cc(C)cc(C)c2)c1C 32971696 LDSSMOBJDTVLMX-UHFFFAOYSA-N 437.975 5.188 30 10 IKEE CCCCCCn1c(O)c(C(=O)c2oc3cc(C)c(Cl)cc3c2C)c(C)c(C#N)c1=O 38627382 HYTIVWMQUFBIIG-UHFFFAOYSA-N 440.927 5.562 30 10 IKEE Cc1c(/N=N/c2cccc(C(F)(F)F)c2)c(O)n([C@@H](C)c2ccccc2)c(=O)c1C#N 39871489 QTQDNODUJLKVEK-JPFQVMLPSA-N 426.398 5.778 30 10 IKEE C=CCc1ccccc1OCc1nc2ccccc2n1CCCCOc1ccccc1OC 39907174 MQINJXVEVVXBQJ-UHFFFAOYSA-N 442.559 6.212 30 10 IKEE Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/Nc3cc(Cl)ccc3Cl)cc2)cc1 59165112 ODVCCEHNYCQTHX-YDZHTSKRSA-N 435.332 5.516 30 10 IKEE CCCCCCCCCCCCCCCCCCNC(=O)N[C@]1(C)CCS(=O)(=O)C1 59568205 UNIMSXXGEQHYJD-XMMPIXPASA-N 444.726 6.124 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(C)cc4)ccc3C2=O)cc1 62883564 VMWXOJUSDZOCDJ-XYGWBWBKSA-N 427.500 5.677 30 10 IKEE O=C(/C=C\c1ccccc1)Oc1ccc2c(c1)O/C(=C/c1ccccc1Br)C2=O 97513724 UZGXCFBVMMFFJD-IZHWMJFTSA-N 447.284 5.684 30 10 IKEE CCOc1ccc2ccccc2c1/C=C1\S/C(=N/c2ccc(C(=O)OC)cc2)N(C)C1=O 100220505 PPNRTSUCPARXSO-INCSMEFSSA-N 446.528 5.259 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 100419704 ROEGKAASPXDXQE-SANMLTNESA-N 429.733 8.586 30 10 IKEE O=C1/C(=C\c2ccc3c(c2)OCO3)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 100437176 GPOYDCYYMULJQP-WRIATZMJSA-N 428.513 5.088 30 10 IKEE O=C1/C(=C\Nc2ccccc2Br)Nc2ccc(Br)c(Cl)c21 100833218 ISONCOVTRLKJHC-KPKJPENVSA-N 428.511 5.427 30 10 IKEE CCN1/C(=C2/S/C(=N/Cc3ccccc3)N(C3CCCCC3)C2=O)Sc2ccccc21 102149083 SFHIQUHDLCUJFF-QPRJYHLLSA-N 449.645 6.252 30 10 IKEE COc1cccc(C(=O)/C=C\Nc2ccc(N/C=C/C(=O)c3cccc(OC)c3)cc2)c1 102416378 UGZFJQIQAGKUKL-VCFJNTAESA-N 428.488 5.321 30 10 IKEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(Cl)cc2)cc1 102535543 YFTNJXYEULJUHS-LAFOYAEKSA-N 438.936 5.348 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2cc(C)ccc2C)c1 169933548 WSHMAYCJNUJLCM-NRFANRHFSA-N 448.544 5.168 30 10 IKEE CCCCCCCCCOc1ccc(-c2nccn2S(C)(=O)=O)cc1Br 169940886 BGXWTWHWZKQXEF-UHFFFAOYSA-N 443.407 5.250 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(N(C)C)cc2)cc1 169956876 WPQCDJNRZROBPP-DEOSSOPVSA-N 432.564 5.226 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2cccc(C)c2)cc1C 169971792 MHIPJNPWROPIPO-HSZRJFAPSA-N 449.453 5.373 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(O)c(OCC)c1 169974403 LSTXVJSATKVYDI-QHCPKHFHSA-N 437.536 5.176 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2cccs2)cc1 169982909 RFONIEXQXXNRHJ-QHCPKHFHSA-N 431.557 6.217 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccs1 169984659 AVAXDTYIMHAMDS-LJQANCHMSA-N 444.339 6.146 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccs2)cc1Cl 169986617 RDIAVBAPSYCQFP-IBGZPJMESA-N 427.884 5.632 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2ccncc2)c1 170025500 NJJDAWKEMCZPJV-DEOSSOPVSA-N 426.516 5.094 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2ccccc2)c1 170047183 SRZWUUSVHAMCGP-DEOSSOPVSA-N 443.499 5.267 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccc(F)cc2)cc1C 170063131 BZFIWVQOWFDWHA-QFIPXVFZSA-N 435.882 5.879 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 170067760 DSRJBLFJYRBKJC-RUZDIDTESA-N 440.543 5.546 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(O)cc2)cc1 170135649 AWDBIYMCLGMGIV-QHCPKHFHSA-N 435.520 5.092 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccs2)cc1C 170161687 ATQTYHUCTKAXQV-QFIPXVFZSA-N 433.529 5.465 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1c1cccc(F)c1 170270815 JMGWWLWFVSMIRD-HSZRJFAPSA-N 427.431 5.663 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2C)cc1C 170271318 RVVIARPXINXHQZ-XMMPIXPASA-N 445.490 5.542 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@H]2c2ccco2)c1 170288204 PQICBRHWUGBISL-NRFANRHFSA-N 437.879 5.423 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@H]1c1ccc(C)o1 170309859 CCRCYRYPCDERDK-HXUWFJFHSA-N 431.916 5.409 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Cl)c(Cl)c2)c1 170388220 VFIVPRFPIHNNPT-NRFANRHFSA-N 438.310 6.085 30 10 IKEE CCN(CC)c1ccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]2c2ccc(N(C)C)cc2)cc1 170443442 TUHUCPXQECPVSI-VWLOTQADSA-N 449.595 5.114 30 10 IKEE N#CC1(C#N)[C@H](c2ccc(F)cc2)[C@H](C(=O)c2cccs2)N2c3ccccc3C=C[C@@H]21 229808883 DNJULKZQAGXJOT-DNVJHFABSA-N 425.488 5.171 30 10 IKEE CC(C)CN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)SC1=Nc1ccccc1 252605152 GGPQGDDEVVCVMA-HBAYPHMUSA-N 446.528 5.905 30 10 IKEE CC(=O)O[C@@H]1C=C2C(=O)C[C@H]3[C@@H](CC[C@]4(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]34)[C@@]2(C)CC1 254302378 HTZDJVPKUOXQMG-ZWFSEMGESA-N 442.684 7.139 30 10 IKEE CCOc1ccc(N=C2S/C(=C/c3cc(C)n(-c4cccnc4)c3C)C(=O)N2CC)cc1 254353250 VSSYOJGSZNFLTL-ZRAGWZJNSA-N 446.576 5.512 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(F)cc1Br)NCCC 407003112 WCZQOBAGSIEDTD-OALUTQOASA-N 443.401 5.358 30 10 IKEE CCCCCOc1ccc(/C=N\n2cnnc2SCc2cc(C)ccc2C)cc1OC 526818294 ARQQWFRSJPOIRS-YSMPRRRNSA-N 438.597 5.647 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccc(Cl)c(Cl)c1 526821089 AAIVJSQDCCFRCO-MXAYSNPKSA-N 441.387 6.475 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2cccs2)cc1 526829655 UFARFRZOVMTYDM-HMAPJEAMSA-N 435.534 5.013 30 10 IKEE Cc1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)c(F)c1 586244872 KFCVFOLFKSMGTE-UHFFFAOYSA-N 449.334 5.708 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H]1C(C)(C)[C@@]2(C#N)Nc1cccc(Br)c1 693736977 JLBHLDRVHGNNHS-LZJOCLMNSA-N 434.378 5.179 30 10 IKEE COc1ccc(Br)c([C@@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)c1 698403520 CKAQPQFVZMAYQV-LJQANCHMSA-N 431.330 5.460 30 10 IKEE CC#C[C@@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CCC4=C3[C@H](c3ccc(N(C)C)cc3)C[C@]21C 1074827521 VKHAHZOOUSRJNA-IFJBLKETSA-N 429.604 5.407 30 10 IKEE O=C(COc1ccccc1)Nc1ccc(/C=C\C(=O)c2ccc(Br)cc2)cc1 1084032153 LMKFUERAOMKNRF-NVNXTCNLSA-N 436.305 5.363 30 10 IKEE CCOC(=O)C1=C(/N=C/c2c(C)c(Cl)c(C)c([N+](=O)[O-])c2O)S[C@@H]2CCCC[C@H]12 1088682571 PEPGOIDAHCTRTG-FLZJCYBOSA-N 438.933 5.070 30 10 IKEE CCOc1ccc(/C=C2/SC(=Nc3cccc(C)n3)N(c3ccccc3)C2=O)cc1OC 1772737837 PRAMNXRWAPCPDI-OORCVBGGSA-N 445.544 5.606 30 10 IKEE Fc1cnc(-c2c(F)c(F)c(F)c(F)c2F)c(-c2c(F)c(F)c(F)c(F)c2F)c1 1848358571 MLHVEJAVKWKXPJ-UHFFFAOYSA-N 429.188 5.946 30 10 IKEE Cc1cccc(NC(=S)N/N=C\c2cn(-c3cccc(Cl)c3)nc2-c2ccccc2)c1 1857811662 VSJFUEIDCORCDL-YSMPRRRNSA-N 445.979 5.822 30 10 IKEE N#C[C@@H](c1cccs1)N1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 1858106585 DIYLSWFBVYVNEC-INIZCTEOSA-N 427.879 5.336 30 10 IKEE CC(C)N(C(=O)c1ccc(F)c(F)c1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1859876167 JOTITYHIXNPGDJ-UHFFFAOYSA-N 429.282 6.197 30 10 IKEE CC(C)(C)c1csc(NC(=O)C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c1C#N 1860629228 ALOHTXSNIHAPFC-UHFFFAOYSA-N 444.988 5.453 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1c(F)cccc1Cl)c1ccc(Cl)cc1Cl 1862384189 VLKFTSDILSRDLP-QGZVFWFLSA-N 440.685 5.527 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccc(OCCC)cc2)cc1 1862397728 OITYKYRSTMFHMN-DEOSSOPVSA-N 433.548 5.559 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2cccc(C)c2)cc1C 1862400698 KPGONAKKAYDNEJ-DEOSSOPVSA-N 445.490 5.230 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@H]2c2cccc(O)c2)cc1 1862475025 BDUYQAHJIHXVBP-QFIPXVFZSA-N 433.891 5.133 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccc(Cl)cc2)cc1 1862476823 PCHQCXOSUGPGBR-QHCPKHFHSA-N 435.951 6.117 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862497158 CSGICAZGFPWFJY-FQEVSTJZSA-N 442.899 5.243 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862590831 RASCZMKDSVNYQG-MZNJEOGPSA-N 427.500 5.294 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1cccc(OC)c1 1862591682 LZVGNBNHCXMKIV-WMZHIEFXSA-N 437.536 5.338 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1c(F)cccc1Cl)c1cccc(O)c1 1862593838 YKONSGFRJZWVNC-HXUWFJFHSA-N 429.875 5.096 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccccc1Cl 1862617898 LDOHVQUBVMUAKC-NRFANRHFSA-N 425.956 6.016 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862643767 VJYYXFBPFHCGNM-SFHVURJKSA-N 438.282 5.129 30 10 IKEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2C)cc1 1862674567 OYIWVHADJVDRGW-XDHUDOTRSA-N 445.490 5.482 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@@H]1c1ccccc1Cl)c1ccc(F)cc1 1862675689 RIRGSOBSEIRMAT-HXUWFJFHSA-N 441.911 5.362 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccccc2Cl)cc1 1862689716 XQVINOKKHVQDMU-QMHKHESXSA-N 447.918 5.688 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2[C@H](C)CC)ccc1O 1862716247 BYOIHXUJZFAWLN-VOIUYBSRSA-N 445.515 5.321 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1cccc2ccccc12)c1ccc(-c2ccccc2)cc1 1862728117 TWUYCOYTMHXUIY-MHZLTWQESA-N 445.518 6.248 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cccc2ccccc12)c1ccc([N+](=O)[O-])cc1 1862756296 LJQBVSNGDLZQQE-QHCPKHFHSA-N 442.471 5.269 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)cc2F)=C(c2ccc(Cl)cc2)C1=O 1863174733 ZFOUBGOLCWVJOE-UHFFFAOYSA-N 446.925 6.171 30 10 IKEE C=CCNC1=C(c2ccc(Br)cc2)C(=O)N(CCCCCCCCCC)C1=O 1863557544 RJSUYMKJHDJLBU-UHFFFAOYSA-N 447.417 5.445 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCCC)=C(c2ccc(OC)cc2)C1=O 1863672500 TYZGYKLXLAFPKO-UHFFFAOYSA-N 428.617 5.696 30 10 IKEE CCCCCCCCN1C(=O)C(NCCc2ccccc2)=C(c2cc(C)ccc2C)C1=O 1863741396 NZJCSIXHTVXNFY-UHFFFAOYSA-N 432.608 5.576 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2Cl)c(=O)cc1CN1CCOCC1 1870340692 SWLQGLLISLFQEL-UHFFFAOYSA-N 447.019 5.273 30 10 IKEE C=CCOc1cn(CCc2c[nH]c3ccccc23)c(CNc2ccc(Cl)cc2C)cc1=O 1870809293 UFTSHKXIQPBQLF-UHFFFAOYSA-N 447.966 5.711 30 10 IKEE CCCCCCCOc1cn(CCCOCC)c(CNc2ccc(Cl)cc2)cc1=O 1870830685 WKPRGZOVSXLATH-UHFFFAOYSA-N 435.008 5.890 30 10 IKEE C=CCn1cc(OCc2cccc3ccccc23)c(=O)cc1CNc1cccc(N(C)C)c1 1870918756 NWYLDLSWTMHQIN-UHFFFAOYSA-N 439.559 5.445 30 10 IKEE CCCCCCCCN=c1[nH]c(Nc2ccc(Cc3ccccc3)cc2)ncc1[N+](=O)[O-] 1871309049 XMEIVXPKHLYSCA-UHFFFAOYSA-N 433.556 5.914 30 10 IKEE CCCCCCCCCCN1COc2ccc3c(c2C1)O/C(=C\c1cccc(OC)c1)C3=O 1871348514 JGOSLYKWDVCWGJ-ITYLOYPMSA-N 449.591 6.604 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O3)CN(CCCCN(C)C)CO2 1871348798 NLFNWIUDSFVTDX-JLPGSUDCSA-N 448.607 5.402 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(cc3c(c2C)OCN(C24CC5CC(CC(C5)C2)C4)C3)C1=O 1871358862 DMQWRWQNFFISGV-AFPJDJCSSA-N 447.600 6.102 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(O[C@H](C)C(=O)Nc3cccc(C)c3C)cc(C)c2C1=O 1871414110 SFQGAZINLNEDKM-PUDRWSQFSA-N 441.527 5.942 30 10 IKEE COc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccc(Cl)cc4)ccc3C2=O)cc1 1871415365 YGOSTYLNNOVUTB-KSJDGYIASA-N 449.890 5.371 30 10 IKEE Cc1c(OCC(=O)NCc2ccccc2)ccc2c1O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871420630 GTHRXWBUGCGVQA-MYYYXRDXSA-N 441.527 5.430 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(OC)c1)C2=O 1871424354 GTGHVMCTXWCMKF-OYKKKHCWSA-N 443.499 5.200 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(ccc(OCC(=O)OCC(C)C)c3C)C2=O)cc1 1871427668 OHEIAEBYETUYJB-UCQKPKSFSA-N 437.536 5.035 30 10 IKEE Cc1ccc(CCOc2cc(C)c3c(c2)O/C(=C\c2ccc(Br)cc2)C3=O)cc1 1871437712 ZIQSGPUWJIPKAT-UCQKPKSFSA-N 449.344 6.304 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cc(C)ccc4C)cc(C)c3C2=O)cc1 1871460592 VAJZFQCMGVAUSB-CFRMEGHHSA-N 427.500 5.554 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Cl)cc1)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1871872954 YBNCCFIFEXYMFZ-JOCHJYFZSA-N 449.016 5.187 30 10 IKEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1871875290 HFADZZBBSFQJDZ-NRFANRHFSA-N 449.016 5.249 30 10 IKEE NC1=C(c2nc(-c3ccccc3)c(-c3ccccc3)s2)C(=O)CN1c1ccc2nc[nH]c2c1 1872726118 KYDZOTZHFHSHCT-UHFFFAOYSA-N 449.539 5.070 30 10 IKEE N#C[C@@H](C(=O)Cc1ccccc1Cl)c1nc(-c2ccc(Br)cc2)cs1 1872765471 PODPEMFOKMTTNI-HNNXBMFYSA-N 431.742 5.645 30 10 IKEE CCCCCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3C)cs2)cc1 1872768740 BAZCOJVDUJQBTH-HSZRJFAPSA-N 432.589 6.876 30 10 IKEE COc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 1872772602 FRIVEYFHZAUQDF-JOCHJYFZSA-N 448.588 6.152 30 10 IKEE CC(C)c1ccc(O[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc1 1872779080 AYXICKQHWIFNNK-RDTXWAMCSA-N 426.488 5.855 30 10 IKEE Cc1nc(SCc2cccc(C(=O)Nc3ccc(C(C)C)cc3)c2)c(C#N)c(C)c1C 1872893468 XGXXDVCRCWDXLD-UHFFFAOYSA-N 429.589 6.547 30 10 IKEE CCCCCCCCNC1=C(c2cccc(OC)c2)C(=O)N(C2CCCCCCC2)C1=O 1873047127 CIBBDVPFRAWPEU-UHFFFAOYSA-N 440.628 5.838 30 10 IKEE CCOc1ccc(/C=N/n2c(CCCOc3ccccc3Cl)nnc2SCC)cc1 1874216564 WCHHDHAMPOOMHI-LFVJCYFKSA-N 444.988 5.336 30 10 IKEE CCCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1cccc2ccccc12 1874282742 XLQHBQYRLDVFMK-YZSQISJMSA-N 434.996 6.254 30 10 IKEE CCCSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874321442 RTBQMTGKBPSRHS-WYMPLXKRSA-N 449.407 6.165 30 10 IKEE COc1ccc(Cc2nnc(SCc3cccc(C)c3)n2/N=C/c2ccc(F)cc2)cc1 1874350304 FRXYQKIIIWTERL-JVWAILMASA-N 446.551 5.500 30 10 IKEE Fc1ccc(/C=N/n2c(COc3ccccc3)nnc2SCc2cccc(F)c2)cc1 1874383628 UTVLHUWHMLOGMN-VULFUBBASA-N 436.487 5.310 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SC)nnc2[C@@H](C)c2ccccc2)cc1OC 1874391369 DYUMGNPXYIWJOV-WLXKGNRNSA-N 438.597 5.612 30 10 IKEE COc1cccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccc(C)cc2)c1 1874396228 CVQPXSNNKSZEDG-OVVQPSECSA-N 442.588 5.555 30 10 IKEE CSc1nnc(Cc2ccccc2)n1/N=C/c1ccc(OCc2ccccc2C)cc1 1874415599 YNYHTXVBXOKBGJ-YZSQISJMSA-N 428.561 5.360 30 10 IKEE CCSc1nnc(Cc2ccccc2)n1/N=C/c1ccc(OCc2ccc(C)cc2)cc1 1874417836 PWSGCLRVAAVECR-OVVQPSECSA-N 442.588 5.751 30 10 IKEE C=CCSc1nnc(CC(C)(C)C)n1/N=C/c1ccc(OCc2ccc(C)cc2)cc1 1874439636 LJWWQZCGQJCYCA-YZSQISJMSA-N 434.609 5.914 30 10 IKEE CCCCc1nnc(SCCc2ccccc2)n1/N=C/c1c(OC)ccc2ccccc12 1874478815 UBQNTVXPLHCFSS-ZXVVBBHZSA-N 444.604 6.000 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1cccc(F)c1 1874480269 PPUHEYOAVKBVQC-WYMPLXKRSA-N 437.371 6.241 30 10 IKEE CCCOc1ccc(/C=N/n2c(COC)nnc2SCc2cccc(Cl)c2)cc1 1874505997 JGZXDWRPMORXJA-YDZHTSKRSA-N 430.961 5.041 30 10 IKEE CC(C)c1nnc(SCc2ccccc2Cl)n1/N=C/c1c(Cl)cccc1Cl 1874513745 NRHQFFBYPCLMGQ-AUEPDCJTSA-N 439.799 6.536 30 10 IKEE CCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccccc1C 1874542126 KTSQSYWAMPBSCV-MFKUBSTISA-N 443.016 5.863 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(S)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874561502 UVKSHMVIMIVNPA-AEIQVQRHSA-N 448.979 5.833 30 10 IKEE Cc1ccc(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc(C(C)C)cc2)c(C)c1 1874583582 VJFZJJDRHURLAK-JQIJEIRASA-N 427.544 6.340 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2cccc3ccccc23)cc1 1874584022 RTGXSTHWNASRSA-JQIJEIRASA-N 440.970 8.092 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2c(OCCC)ccc3ccccc23)cc1 1874584624 XRRKFQVSOADUPY-VHEBQXMUSA-N 430.588 7.874 30 10 IKEE COc1cccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)c1OCC(=O)NC1CCCCC1 1874586010 RFIFNSXKSNJPBX-CCEZHUSRSA-N 449.591 5.653 30 10 IKEE O=C(COc1ccccc1/C=C/C(=O)c1cc(Cl)ccc1Cl)NC1CCCCC1 1874591582 RWBFYDPWJYCFDJ-JLHYYAGUSA-N 432.347 5.717 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] 1874612433 UWDLSDUJNZKGFW-CSKARUKUSA-N 444.915 5.172 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(Br)c1OCCCO 1874628998 HOZCXOQKJQTUOR-BQYQJAHWSA-N 447.369 5.349 30 10 IKEE COc1cccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc(OC)c(C)c3)ccc2OC)c1 1874695968 BKWJVKUQCXCVFU-DHZHZOJOSA-N 432.472 5.136 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(OC(C)C)cc2)CSc2nnc(CC)n21 1874833565 QXURPUPBSIUZEM-NRFANRHFSA-N 444.645 5.690 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(Cl)c1OC(=O)c1ccncc1 1875097183 YJEFNKKPPCKWBK-RMKNXTFCSA-N 447.918 5.738 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc([N+](=O)[O-])c1OC(=O)CC1CCCCC1 1875127219 SWKYHPRURWXRSY-BUHFOSPRSA-N 437.492 5.765 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)c(C)c3)c([N+](=O)[O-])c2)cc1 1875130384 RRCZLQPZAUXELT-AWNIVKPZSA-N 445.471 5.726 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc4ccccc34)cc2Cl)cc1 1875154126 PNKABIIPBVEXFS-OQLLNIDSSA-N 442.898 6.617 30 10 IKEE O=C(COc1ccc(Cl)cc1)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1Cl 1875158456 WYVPCWDITJXUOY-QQDOKKFESA-N 445.273 6.013 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3c(C)cc(C)cc3C)cc2Cl)c1 1875183309 UZPKUEQZULPEIB-PKNBQFBNSA-N 448.946 6.779 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)ccc1OC(=O)c1ccc(C)cc1 1875190603 XHWYFICXKHCFJV-UKTHLTGXSA-N 444.527 6.134 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N(C)Cc1ccccc1)n2CCCC 1875212252 GOZZXJLITRARGL-UHFFFAOYSA-N 449.643 6.276 30 10 IKEE CC(C)(C)OC(=O)NC1CC2(C1)CC(C#N)(N(Cc1ccccc1)C(=O)OC(C)(C)C)C2 1880147542 HFMIIAOSWRNASB-UHFFFAOYSA-N 441.572 5.153 30 10 IKEE CCN(CC)c1cccc(OCC#CCNC(=O)c2cccc(Oc3ccc(F)cc3)c2)c1 1891735716 QAJSJLVVEKSIIW-UHFFFAOYSA-N 446.522 5.276 30 10 IKEE C=C(COCc1ccccc1)[C@H](CCCN(Cc1ccccc1)C(=O)OC(C)(C)C)NC 1922124061 DVXACAGLRYRESZ-VWLOTQADSA-N 438.612 5.565 30 10 IKEE Cc1cccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)c1Br 1927301114 CVUSWDBTASBRKK-KRWDZBQOSA-N 435.749 6.417 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 1944696496 AHWPULMHDVMZQY-QFBILLFUSA-N 433.524 5.106 30 10 IKEE CC(C)(C)OC(=O)NC1CC2(CC[C@]2(C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)C1 2012276409 HZKIKCOQMPBYCL-KKOYGPPHSA-N 447.601 5.215 30 10 IKEE C=CCCCCCCC(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2026015180 QQEFVYLAZQKOOW-UHFFFAOYSA-N 428.617 5.642 30 10 IKEE CC(C)(C)OC(=O)NCC[C@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 2037234579 ZCYYQGBHFSYPDJ-OSPHWJPCSA-N 447.551 5.544 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(Cc3ccccc3)C[C@H]2C)c1 2037425925 ICSKCJBZWXBKEG-FQRUVTKNSA-N 435.568 5.241 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@@]1(C#N)CCN(Cc2ccccc2)CC1(C)C 2037430720 IYOFVYYSLHPGCC-AREMUKBSSA-N 437.559 5.762 30 10 IKEE CN1CC(=Cc2cccc(Br)c2)C(=O)C(=Cc2cccc(Br)c2)C1 2040454937 KHBXHLSTIOLHQI-UHFFFAOYSA-N 447.170 5.193 30 10 IKEE O=C(C=Cc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1)c1ccc(F)cc1 2059958141 SEPAHOILTXRJPS-VOOSMIBRSA-N 435.292 6.380 30 10 IKEE C=C(C)C[C@@H](NCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071352240 ZEXXFBPMOLTREB-LEAFIULHSA-N 431.576 5.822 30 10 IKEE N#C[C@]1([C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCCOC1 2071353035 CZHFZSGBIIALHM-RRPNLBNLSA-N 429.516 5.198 30 10 IKEE Cc1ccc([C@@H](n2nc(C(C)C)c(C#N)c2I)C(C)(C)C)c(C)c1 2079016647 PVPOSKSLFFBZST-GOSISDBHSA-N 435.353 5.735 30 10 IKEE CC(C)(C)c1nn(Cc2c(F)cccc2C(F)(F)F)c(C(F)(F)F)c1Br 2079138865 MENXPALJWAAPME-UHFFFAOYSA-N 447.192 6.168 30 10 IKEE CC(C)(C)[C@H](c1ccc(C(F)(F)F)cc1)n1nc(C(F)F)c(C#N)c1Br 2079928238 CNONDQRGEKRFLG-ZDUSSCGKSA-N 436.222 6.109 30 10 IKEE Cc1ccc([C@H](n2nc(C(F)F)c(C=NO)c2Br)C2(C)CC2)c(F)c1F 2079956655 KOQVSUPXPLHSLO-AWEZNQCLSA-N 434.231 5.367 30 10 IKEE CC1(C)OB([C@@H]2CCCN(Cc3ccc(Cl)c(Br)c3F)C2)OC1(C)C 2110462762 ZMUOAVKRRQMAPP-CYBMUJFWSA-N 432.570 5.300 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(C)cc(Br)c1F 2159124466 HURKSNGWZHNKAA-MJGOQNOKSA-N 441.385 5.244 30 10 IKEE CCCCCCCCCC[C@H](N)c1c(Br)sc(Br)c1Cl 2164490324 AXWUWBYEMOSNCM-NSHDSACASA-N 445.692 7.457 30 10 IKEE N#C[C@H](C(=O)c1scc(Br)c1Br)c1ccc(F)c(Cl)c1 2233373096 TWDLGRYSKGGVHR-ZETCQYMHSA-N 437.515 5.556 30 10 IKEE CC#CCCCC[C@H](NC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237430530 DUNQQUFLFPJOQV-PMACEKPBSA-N 437.422 5.057 30 10 IKEE C=CCCC1([C@@H](O)c2cc(Cl)cc(Br)c2)CN(C(=O)OC(C)(C)C)C1 2254979348 CEROMWXQYXAKKF-INIZCTEOSA-N 430.770 5.339 30 10 IKEE Cc1cc(C(=O)Nc2ccccc2OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)s1 2267540242 QPUHKQAEKNKNSI-UHFFFAOYSA-N 449.381 5.187 30 10 IKEE C=CC[C@H](C)[C@@H](OCCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2276656329 LGKQBTNHQSSENV-MUAVYFROSA-N 445.603 6.463 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)CC(C)(C)[C@@H](C)NC(=O)OC(C)(C)C 2296274259 SVVJBFWSYYACCA-VQIMIIECSA-N 437.422 5.108 30 10 IKEE COc1ccc(C=C2Oc3cc(OCc4ccc(Br)cc4)ccc3C2=O)cc1 2297316790 WKGZBWAIZFAMMS-UHFFFAOYSA-N 437.289 5.653 30 10 IKEE Cc1ccccc1NC=C1C(=O)c2sccc2N(Cc2ccc(Cl)cc2)S1(=O)=O 2297378468 UCNGOQJPWXUHES-UHFFFAOYSA-N 444.965 5.196 30 10 IKEE CC(C)(C)c1cc(N=CC=CC2=C3N(CCC2)c2ccccc2C3(C)C)cc(C(C)(C)C)c1 2297515116 PQNSURMKLICNHT-UHFFFAOYSA-N 440.675 8.386 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2302570878 DLIBIXMZQHHGRC-IPMKNSEASA-N 433.524 5.153 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Oc2nc(Cl)c(C#N)s2)ccc1Br 2303974753 BPGZZVKWQLTTOI-UHFFFAOYSA-N 430.711 5.570 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2)SC(=NN=Cc2ccc(F)cc2)N1Cc1ccco1 2314818766 LILHSSWAMSKYEZ-UHFFFAOYSA-N 439.899 5.579 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)CC(C#N)(N(C(=O)OC(C)(C)C)C1CCCCC1)C2 2316036346 YMDSXDWMJHROIW-OOEJVQDLSA-N 447.620 5.486 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccco1)O3)CN(Cc1ccccc1OC(C)(C)C)CO2 2321906741 AJMFXGFPLWLDJK-UHFFFAOYSA-N 445.515 5.734 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1c(Cl)cccc1Cl)O3)CN(Cc1ccco1)CO2 2321962575 QBJAYKJLJLPCRO-UHFFFAOYSA-N 442.298 5.863 30 10 IKEE CCCCCCCCN1COc2ccc3c(c2C1)OC(=Cc1ccc(C(C)(C)C)cc1)C3=O 2322188427 ZFTQTXAARJJDNX-UHFFFAOYSA-N 447.619 7.113 30 10 IKEE O=C(Cc1cccs1)Oc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1Cl)C2=O 2322860680 JWBMTAXYGSOVHL-UHFFFAOYSA-N 431.296 5.819 30 10 IKEE Cc1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1 2323060695 KVULLKFSZQEISF-UHFFFAOYSA-N 430.887 6.192 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3cc(C)cc(C)c3)c2)cc1OC 2323060757 ZSRPOQYQSZEHJJ-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1OCC(=O)Nc1ccc(C)cc1C 2323212581 GGGAXGIVNTZBQJ-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE Cc1ccc(NC(=O)COc2cccc(C=CC(=O)c3ccc(C(C)C)cc3)c2)cc1C 2323212591 HCNCHUTZUYMVDE-UHFFFAOYSA-N 427.544 6.340 30 10 IKEE CCOC(=O)c1ccc(COc2cc(C=CC(=O)c3ccc(F)c(F)c3)ccc2OC)o1 2323230605 NZEXLEXGTHVWDP-UHFFFAOYSA-N 442.414 5.218 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cccc(OCC(=O)Nc2ccccc2)c1 2323290823 COAJXQPJOZETKU-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE O=C(Cc1ccc(Cl)c(Cl)c1)Oc1ccc2c(c1)OC(=Cc1ccncc1)C2=O 2323417389 YDLCXEVVKMJJGN-UHFFFAOYSA-N 426.255 5.153 30 10 IKEE COc1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2323423203 QQYFEPMTGWLAAR-UHFFFAOYSA-N 446.886 5.892 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OC(=O)CC4CCCCC4)c3C)C2=O)cc1OC 2323485653 NETBNJKKAPAKAY-UHFFFAOYSA-N 436.504 5.504 30 10 IKEE Cc1cc(OC(=O)C=Cc2cccs2)cc2c1C(=O)C(=Cc1c(F)cccc1Cl)O2 2323530675 XPPHGIMSTITBDF-UHFFFAOYSA-N 440.879 6.084 30 10 IKEE Cc1cc(OC(=O)COc2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1cccs1)O2 2323532514 IVFYEVPXNHIYBE-UHFFFAOYSA-N 426.877 5.311 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 2323829800 WHWOEULSVQPZBH-UHFFFAOYSA-N 427.327 6.867 30 10 IKEE CCCCCCOc1ccc(C=NNc2nc(-c3cccs3)c(C)s2)cc1OC 2323865520 MRGZEXMENRWKDD-UHFFFAOYSA-N 429.611 6.594 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1 2323887712 VDAZFWPPWYABKR-UHFFFAOYSA-N 446.430 5.285 30 10 IKEE Cc1cc(O)c(CN2CCC[C@@H](C)C2)c2c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O2 2324067703 DQSHWDMLJJRFHY-CYBMUJFWSA-N 432.347 5.856 30 10 IKEE Cc1c(OCCc2ccccc2)ccc2c1OC(=Cc1ccc(Br)cc1)C2=O 2324282967 QKBQDBNVOJSLKW-UHFFFAOYSA-N 435.317 5.995 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(OC)c(Cl)cc2OC)cc(OC)c1OCC(=C)C 2324416692 VVJYYSOWUNVYIM-UHFFFAOYSA-N 442.939 5.945 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCCOc4ccc(Cl)cc4)cc(C)c3C2=O)cc1 2324673303 ZAIQCMXAWAMEGO-UHFFFAOYSA-N 434.919 6.285 30 10 IKEE CCOc1ccc(C=C(C(=O)Nc2sc3c(c2C#N)CCCC3)c2ccccc2)cc1 2325427051 JDQOHPRHKLPLSS-UHFFFAOYSA-N 428.557 6.077 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccccc3C(C)C)ccc2C1=O 2325726047 XMJZVXOAUQNDLT-UHFFFAOYSA-N 427.500 5.752 30 10 IKEE COc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccccc3)c2)c(C(C)(C)C)c1 2325732620 VFJXXBRFKMWNBB-UHFFFAOYSA-N 444.527 5.873 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OC(=O)c1ccc(-c2ccccc2)cc1 2325737560 JAAHEWHYWHFCRT-UHFFFAOYSA-N 448.518 6.786 30 10 IKEE COc1ccc(CCC(=O)Oc2cccc(C=CC(=O)c3cc(OC)ccc3OC)c2)cc1 2325744516 LVDKPVRHGSZUDH-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE COc1cccc(OCC(=O)Oc2cccc(C=CC(=O)c3cc(C)cc(C)c3OC)c2)c1 2325757869 URSJIJZHKUXTFN-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1c(Cl)cccc1Cl 2326444436 HNQQPABEFWMBPA-UHFFFAOYSA-N 433.408 6.329 30 10 IKEE CCCSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1ccccc1OC(C)C 2328798597 SOEVGFKUNIHOQY-UHFFFAOYSA-N 438.597 5.645 30 10 IKEE CC1CCN(c2ccc(NC(=O)C=CC(=O)c3ccc(Br)cc3)cc2)CC1 2329423886 RQDBUEVYSIWEJJ-UHFFFAOYSA-N 427.342 5.063 30 10 IKEE Fc1ccc(C=Nn2c(CCc3cccs3)nnc2SCCc2ccccc2)cc1 2329668954 GMZUBFLWOFSPCT-UHFFFAOYSA-N 436.581 5.481 30 10 IKEE Cc1cccc(CSc2nnc(Cc3cccs3)n2N=Cc2ccc(C(C)C)cc2)c1 2330347310 RIBLFKWZOBAGKT-UHFFFAOYSA-N 446.645 6.537 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1cncc(C)c1 2330672113 TYQXWOYVJQTGJT-UHFFFAOYSA-N 437.495 6.057 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCCc3ccccc3)nnc2-c2ccccc2)cc1 2330676069 HHNUURMKHDMYCG-UHFFFAOYSA-N 426.589 6.286 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1 2330742393 ZZVJXOVCAYMAKX-UHFFFAOYSA-N 435.317 6.127 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)cc([N+](=O)[O-])c1OC(=O)CC(C)C 2330752863 XTWAFRBYBZUVQK-UHFFFAOYSA-N 425.481 5.404 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(Cl)c3)c([N+](=O)[O-])c2)c1 2330786110 MOZLDIMVVPFQIQ-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE CCCC(=O)Oc1c(Br)cc(C=CC(=O)c2cccc(OC)c2)cc1OC 2330794526 JKVASQHMDLTWNP-UHFFFAOYSA-N 433.298 5.068 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(SCCc2ccccc2)nnc1[C@H]1CCCO1 2330967851 FYLDVBFPPJMRBY-JOCHJYFZSA-N 436.581 5.134 30 10 IKEE CCc1ccc(C=Nn2c(SCC(=O)Nc3ccccc3C)nnc2-c2ccco2)cc1 2331187096 RQFQALBWYDXENR-UHFFFAOYSA-N 445.548 5.022 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccco3)n2N=Cc2cccnc2)c(Cl)c1 2331225704 QZJHNBSZVGZGKW-UHFFFAOYSA-N 430.320 5.414 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)CC(C)(C)C)c(OC)c2)cc1 2331294156 WQRJBFFKUDDSPY-UHFFFAOYSA-N 444.955 6.375 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)CCCOc3ccccc3C)cc2)c1 2331316147 WRXGESOLISJINY-UHFFFAOYSA-N 428.528 6.273 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2[N+](=O)[O-])cc1 2331323054 ZAWDYDLQPIZQTQ-UHFFFAOYSA-N 429.472 5.889 30 10 IKEE O=C(CSc1ccccc1)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1 2331397425 AIHNJCVKYBYZLM-UHFFFAOYSA-N 432.497 5.052 30 10 IKEE Cc1cc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2)ccc1[N+](=O)[O-] 2331412542 HSSHYPGATOFXDD-UHFFFAOYSA-N 443.499 6.316 30 10 IKEE CCCOc1cccc(C=Nn2c(CC(C)C)nnc2SCc2ccccc2F)c1 2331454001 KLPXVNAVPKALIP-UHFFFAOYSA-N 426.561 5.579 30 10 IKEE O=C(Cc1ccccc1)Oc1ccc(C=CC(=O)c2ccc(F)cc2)cc1Br 2331523537 FQMYKRCZPGYAAO-UHFFFAOYSA-N 439.280 5.632 30 10 IKEE Oc1ccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C2CCC2)c(O)c1 2331533292 FQLBLSZIXSGWAW-UHFFFAOYSA-N 449.363 5.438 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)C1CCCC1 2331563518 WDZULWFSQPGPLT-UHFFFAOYSA-N 434.866 6.009 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)c1ccccc1OC 2331632333 BMZUCKLKZLCQOE-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)cc2)cc1C 2331641555 GNNPUENOPGNOSI-UHFFFAOYSA-N 426.556 6.581 30 10 IKEE CC(C)c1nnc(SCc2cccc(F)c2)n1N=Cc1cccc(Br)c1 2331688900 RCNJLXQUTYLQOH-UHFFFAOYSA-N 433.350 5.478 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(C=CC(=O)c3c(C)cc(C)cc3C)cc2)c1 2331764492 YJAGIXJTKNJFBC-UHFFFAOYSA-N 428.528 6.055 30 10 IKEE N#Cc1cc(Br)cc(OCc2cc(Br)cc(Br)c2)c1 2337061516 AHGJQBRRVFWYJJ-UHFFFAOYSA-N 445.936 5.425 30 10 IKEE CC(C)N(CCCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2339599545 MQGINVRAUXJXJN-UHFFFAOYSA-N 446.397 5.141 30 10 IKEE CN[C@@H](C#C[C@@H]1[C@@H]2COC[C@@H]21)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2342528108 KZQDIPKCWGIANI-XUJYPJAKSA-N 439.555 5.001 30 10 IKEE CCCCCCCCCC[C@H](N)c1cc(Br)ccc1OCc1ccccc1 2361194795 KQBYVJGFDHWDFJ-QHCPKHFHSA-N 432.446 7.559 30 10 IKEE CC[C@@H]1CS/C(=N\c2ccccc2C(F)(F)F)N1Cc1ccc(Cl)cc1Cl 13145728 ODDXNUYEEPETJJ-JYMIEJHZSA-N 433.326 7.027 30 10 IKEE Cc1ccc(N/C(O)=N/c2ccc3nc(NS(=O)(=O)c4ccccc4)sc3c2)cc1 13349256 SNUPQVMRLMCUHB-UHFFFAOYSA-N 438.534 5.063 30 10 IKEE C=CCn1c(COc2cc(C)cc(C)c2)nnc1SCC(=O)Nc1ccc(C)cc1C 14125877 FGIGOIBLLCINAR-UHFFFAOYSA-N 436.581 5.008 30 10 IKEE C=CCn1c(SCc2cccc(C(=O)OC)c2)nc2scc(-c3ccccc3)c2c1=O 19651104 LGRJXJOIWWKNIL-UHFFFAOYSA-N 448.569 5.390 30 10 IKEE C=CCN1C(c2ccccc2)=C(c2ccccc2)S/C1=C\c1sc2ccccc2[n+]1C 20060174 DCFHNESNKIDDCH-UHFFFAOYSA-N 439.629 6.785 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(Cl)c2Cl)cc1 21225694 IRXUPLHPEIHOKD-YOEHRIQHSA-N 430.331 5.396 30 10 IKEE CN1C/C(=C/c2ccccc2Br)C(=O)/C(=C\c2ccccc2Br)C1 33305341 FAVOOEYXDNBGBH-APGQMXJTSA-N 447.170 5.193 30 10 IKEE CCOC(=O)/C(=N\Nc1ccccc1)Sc1ncc(-c2ccccc2)n1-c1ccccc1 33939039 MOUPBIGROWHPBY-WEMUOSSPSA-N 442.544 5.620 30 10 IKEE C=CCOc1ccc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCCC)cc1OC 38594314 FMSFOTWGCRDICM-XMMPIXPASA-N 447.531 5.329 30 10 IKEE C=CCc1ccccc1OCc1nc2ccccc2n1CCCOc1ccccc1Cl 39907106 HTLFGDDLFWEYRS-UHFFFAOYSA-N 432.951 6.466 30 10 IKEE CCc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/Nc1ccc([N+](=O)[O-])cc1)CCC2 40814705 AROUBSZOYMFKRP-NHFJDJAPSA-N 432.480 5.463 30 10 IKEE COc1cccc2cc(C(=O)Oc3ccc4c(c3C)O/C(=C\c3ccccc3C)C4=O)oc12 41353951 YOOPCNNEQJKFDJ-XKZIYDEJSA-N 440.451 5.894 30 10 IKEE COc1ccc2c(c1)c(/C=C1\Oc3cc(OCc4ccccc4)cc(C)c3C1=O)cn2C 41432906 IISJRXMLJQZJDK-ROTLSHHCSA-N 425.484 5.691 30 10 IKEE COc1ccc2c(c1)c(/C=C1\Oc3cc(OCc4ccc(C)cc4)cc(C)c3C1=O)cn2C 41433405 OBRNUUJZSKTULF-ZRGSRPPYSA-N 439.511 5.999 30 10 IKEE COc1ccc(/C=N\N=C2\S/C(=C\c3ccccc3C)C(=O)N2Cc2ccco2)cc1 47137599 KSBDLNSVEQVEEV-QXZAMSPYSA-N 431.517 5.103 30 10 IKEE Cc1ccc(C(C)C)c(OCCN/C(=N\Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 59501795 JSGTZZJEDRYWJG-UHFFFAOYSA-N 432.524 5.469 30 10 IKEE COc1ccc(N/C(=N/C(=O)c2ccccc2)NCCc2c[nH]c3ccccc23)cc1Cl 66437784 TZOYNRWZYBMMNJ-UHFFFAOYSA-N 446.938 5.271 30 10 IKEE CCCCCCCCCCCCn1c(CNC(=O)c2ccc(C)cc2)nc2ccccc21 102217428 OKELCWXMTXBLEV-UHFFFAOYSA-N 433.640 7.196 30 10 IKEE Cc1cccc(CN2c3ccccc3C(=O)/C(=C\Nc3cccc(Cl)c3)S2(=O)=O)c1 104402108 AVHJOCWMEUDNDD-HYARGMPZSA-N 438.936 5.135 30 10 IKEE C[C@@H](Oc1cccc(C#N)c1)C(=O)Nc1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 108983498 FSICMNHNBRZGGE-GOSISDBHSA-N 441.531 5.514 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccc(N(C)C)cc2)cc1 169953760 XLOGLSICEZCYQA-DEOSSOPVSA-N 444.506 5.291 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2ccc(O)cc2)c1 169958862 KMSVTUULJBWJOQ-XMMPIXPASA-N 427.500 5.409 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccc(O)cc2)c(C)c1 169960412 SDFSUALROLXCAZ-XMMPIXPASA-N 443.499 5.109 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(C(C)(C)C)cc2)c1 169974881 JOLRGZMEDNFDPR-DEOSSOPVSA-N 441.527 5.776 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@H]2c2cccs2)ccc1F 169986620 LMLUMVALNZZAIP-FQEVSTJZSA-N 441.911 5.940 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccccn2)cc1C 169991966 QFCAVIRLRVQZPU-DEOSSOPVSA-N 442.515 5.305 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccnc2)cc1Cl 170008972 WSTRODWNEFHPBD-FQEVSTJZSA-N 439.298 5.480 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2c2ccccc2)cc1 170028749 UCBAPMQLGLFPDX-DEOSSOPVSA-N 427.500 5.431 30 10 IKEE CCCCCCCCN1C(=O)C(SCc2ccccc2)=C(c2ccc(OC)cc2)C1=O 170030552 PEEXJRQHQMIFIV-UHFFFAOYSA-N 437.605 6.069 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2cccc(O)c2)cc1C 170080516 GCZWUWUNAFXOIB-DEOSSOPVSA-N 438.483 5.273 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2C2CCCCC2)c1 170119184 LINQEKKALICJFG-XMMPIXPASA-N 449.547 5.393 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1cccc(C)c1 170143018 REKGSWKHJFUCII-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2cccs2)c1C 170158797 VXAMKZVRCWQXQA-HXUWFJFHSA-N 434.473 5.056 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccccn2)cc1 170170812 PVUVUJDHASBNFA-DEOSSOPVSA-N 442.515 5.214 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2cccnc2)cc1C 170190560 AFWFIVNQNIRDDW-DEOSSOPVSA-N 442.515 5.107 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1cccc2ccccc12 170221142 LSPSIECVNBYMLK-DEOSSOPVSA-N 429.516 5.615 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@@H]1c1ccccc1F 170252534 YQLBCPRDMLFCGG-FQEVSTJZSA-N 431.891 5.256 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)c(Cl)c2)[C@H]1c1sccc1C 170318988 TUYGIVZFZPPNKX-HNNXBMFYSA-N 440.348 5.360 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(C4CCCC4)[C@H]3c3sccc3C)oc12 170319762 HIQUHHCGDKALIH-LJQANCHMSA-N 437.517 5.332 30 10 IKEE CCCCCCCCc1ccc(OCc2ccc(-c3ccc(C[C@H](C)CC)cc3)cc2)cc1 196813354 YMRGDLJQLOAVLE-AREMUKBSSA-N 442.687 9.424 30 10 IKEE C=C(CC)CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 230025077 BDNJWMMEAXYTKO-QFIPXVFZSA-N 425.550 5.068 30 10 IKEE Cc1ccc(N=C2S/C(=C\c3ccc(O)cc3)C(=O)N2c2ccc(C)c(C)c2)cc1C 252620823 MMQCPIFJAXNHKY-UNHHPBJVSA-N 428.557 6.434 30 10 IKEE Cc1ccc2oc(-c3cccc(N=Cc4c(O)ccc5cc([N+](=O)[O-])ccc45)c3C)nc2c1 252630190 UWTOZTJZJWDZBR-UHFFFAOYSA-N 437.455 6.629 30 10 IKEE CCOc1cc(C=NNc2nc3ccccc3s2)ccc1OCc1ccc([N+](=O)[O-])cc1 254758952 JXVXKLQLAMETLE-UHFFFAOYSA-N 448.504 5.628 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccs2)cc1Cl 526522807 SOBBVRJCPNUJMI-NRFANRHFSA-N 436.920 5.729 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2ccc(F)cc2)[C@@H]1c1ccc(Br)cc1 526605969 ALJGGXHFGDWVHI-NRFANRHFSA-N 449.279 5.517 30 10 IKEE CC(C)Oc1ccccc1[C@@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1cc(F)ccc1F 526709248 FBAYWVWGKGTAQG-HSZRJFAPSA-N 449.453 5.535 30 10 IKEE Clc1cc(/C=N\n2cnnc2SCc2ccccc2)ccc1OCc1ccccc1 526800747 RZLQZBCPRCNGLO-WGARJPEWSA-N 434.952 5.685 30 10 IKEE CCc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccc(Cl)cc2)cc1 526808519 NQTTUXCNEOYOIL-PKAZHMFMSA-N 447.007 6.259 30 10 IKEE Clc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccco2)cc1Cl 526813959 HKKGKTGLMPBOER-CFRMEGHHSA-N 443.359 5.943 30 10 IKEE CCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1cccc(C(F)(F)F)c1 526828563 IBBLIJCXJMHKFX-MSXFZWOLSA-N 449.458 5.332 30 10 IKEE N#Cc1ccc(CN(c2ccc(F)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 586260316 OIAOJUVFWZDZMD-UHFFFAOYSA-N 435.307 5.400 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@]1(C#N)CCc2cc(Br)ccc21 698405619 IFNDNWYHZFBQDR-JOCHJYFZSA-N 427.342 5.551 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)CC1(C)C 698910506 NUFVZBNZJNAQFU-QHCPKHFHSA-N 449.617 5.557 30 10 IKEE CC1(C)OB(c2cccc(Cn3ccc4c(OCc5ccccc5)cccc43)c2)OC1(C)C 720926047 GWPNAZIWGVHWRE-UHFFFAOYSA-N 439.364 5.568 30 10 IKEE CCCCCCCCC[C@@H](NC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 822109702 AFRZJNYDQDOGEZ-SQHAQQRYSA-N 445.692 5.885 30 10 IKEE O=C(O)c1cc(Cl)cc(N=C/C=C/Nc2cc(Cl)cc(C(=O)O)c2Cl)c1Cl 1088706436 UMNBEUNGSACYIC-MIOMKFIESA-N 448.089 6.025 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=Nc1nccs1 1772724677 SNLQKMSYFDMQRE-UBLAJHMLSA-N 438.490 5.101 30 10 IKEE Cc1csc(N=C2S/C(=C/C=C\c3ccccc3[N+](=O)[O-])C(=O)N2c2ccccc2)n1 1772737135 KIUBIQYZVUGXOV-RHMAGBJVSA-N 448.529 5.725 30 10 IKEE Cc1ccc(-c2nn(-c3cccc(C)c3)cc2/C=N\NC(=S)Nc2ccccc2)cc1 1857809729 WKLXLEZPWDOHNQ-QQXSKIMKSA-N 425.561 5.477 30 10 IKEE N#Cc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3)c(-c3ccccc3)c2Cl)cc1 1859381844 XGCXQWXUGWZQMZ-UHFFFAOYSA-N 433.298 5.970 30 10 IKEE CCCCCCCCCCNC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)c(C)cc1=O 1859577466 AYEMILCISMERAL-UHFFFAOYSA-N 438.399 5.718 30 10 IKEE CN(C)c1ccc(/C=C/C(=O)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1 1860722536 KDCALZGBUCXPSH-FRKPEAEDSA-N 434.923 5.206 30 10 IKEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)/C=C/c1ccc(Cl)cc1Cl 1861551253 HOMLIIIIXWOQIA-FYWRMAATSA-N 441.443 6.158 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(C)cc2)cc1 1862389317 CUOLRXKJEXHPJM-LADGPHEKSA-N 433.548 5.095 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOCC)[C@@H]2c2ccc(F)cc2)cc1 1862390540 GHLVNDDAVVBPPA-HSZRJFAPSA-N 439.527 5.173 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2ccc(OC)c(OC)c2)cc1 1862397699 NOCCJVZEOKRPBZ-QHCPKHFHSA-N 437.536 5.035 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2cccc(C)c2)cc1C 1862401320 YOJHZNHWWOXLMG-RUZDIDTESA-N 445.559 5.781 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(Cl)cc1Cl 1862408373 KMHLBXLJPWPZNU-LJQANCHMSA-N 434.319 5.299 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccccc1F 1862441829 DEVHNWWEQJVNBP-XWRIVVANSA-N 427.903 5.636 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2cccc(C)c2)cc1 1862442044 FTPGDNIAJNWQKZ-QHCPKHFHSA-N 431.919 5.735 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccccc2F)cc1 1862444247 YXPIFFKJEURFDQ-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccc(C)cc2)cc1 1862445382 UUEZNEFHVXGSMG-DEOSSOPVSA-N 445.946 5.989 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2C2CCCCCC2)c1 1862455905 FTQNETULCOLESB-QFIPXVFZSA-N 443.465 5.713 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCc2ccc(F)cc2)cc1 1862486368 AHXLDIYZYBVDND-RUZDIDTESA-N 443.518 5.572 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@H]2c2ccc(F)cc2)cc1 1862529470 GTZZCWKRYMRHHS-DEOSSOPVSA-N 445.490 5.045 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 1862531244 JNZVUNVJRQFYJS-JOCHJYFZSA-N 436.508 5.316 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(N)c2)=C(O)C(=O)N1Cc1ccc(Cl)cc1 1862554402 BRSPGIHALLTIBE-JOCHJYFZSA-N 432.907 5.009 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(C(C)(C)C)cc2)=C(O)C(=O)N1Cc1ccccn1 1862614111 YCKUEHFGZRZRCF-XMMPIXPASA-N 440.543 5.466 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccccc1Cl 1862617899 LDOHVQUBVMUAKC-OAQYLSRUSA-N 425.956 6.016 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccccc1C 1862660325 KKWCGXHUAWJXOZ-ZEQKJWHPSA-N 447.619 7.056 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccccc1Cl 1862689196 KOGDRHQAHRWTFM-NRFANRHFSA-N 427.928 5.507 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccc(F)c1)c1ccc2ccccc2c1 1862716165 ZTTLMAPVNCJFDQ-QHCPKHFHSA-N 427.431 5.350 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc([N+](=O)[O-])cc1 1862717312 AHIBZRLSBDDMTL-HSZRJFAPSA-N 444.487 5.517 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccccc1Cl 1862725992 WOYCGXGECQCRIU-OSPHWJPCSA-N 445.946 6.384 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cccc2ccccc12 1862737044 CCHYZFDWBBYXRP-QRQCRPRQSA-N 430.460 5.125 30 10 IKEE CC(C)(C)c1ccccc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(F)cc2)C1=O 1862774340 DIDBHAPIXCWEDS-UHFFFAOYSA-N 439.490 5.391 30 10 IKEE CCCCCCCCNC1=C(c2cccc3ccccc23)C(=O)N(CCOC(C)C)C1=O 1863578413 VPOVSCSSEFSLFT-UHFFFAOYSA-N 436.596 5.295 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2OC)C(=O)N([C@H](C)c2ccccc2)C1=O 1863768172 MVWJSJPJNWTWQC-HXUWFJFHSA-N 434.580 5.486 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1nc(C)c(C(=O)OC)s1 1866029971 RVHMUFCYKWTLKA-UHFFFAOYSA-N 438.678 7.438 30 10 IKEE CCCC[C@H](NC(=O)[C@@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866964475 WAVSOCMBPPXAHI-LOSJGSFVSA-N 433.596 5.735 30 10 IKEE Cn1nc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1-c1cc(F)ccc1F 1868178270 ROJCHLKACADYIZ-UHFFFAOYSA-N 449.301 5.655 30 10 IKEE CCc1nc(Nc2ccc(C#N)cc2)cc(N2C[C@@H](c3ccccc3)Cc3ccccc32)n1 1868291701 UXOJJSYMOAPZEL-QHCPKHFHSA-N 431.543 6.132 30 10 IKEE CCCCc1ccc(-n2nnc(C#N)c2NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1 1870141138 BXIHCICLXAUTPV-XYOKQWHBSA-N 440.334 5.440 30 10 IKEE C=CCOc1cn(Cc2ccc(C)cc2)c(CN2CCC(Cc3ccccc3)CC2)cc1=O 1870388048 FEKNBBBDXDYSEI-UHFFFAOYSA-N 442.603 5.225 30 10 IKEE C=CCOc1cn(Cc2ccccn2)c(CNc2ccc(-c3ccccc3C)cc2)cc1=O 1870812225 QVDYTXFIRXUCKA-UHFFFAOYSA-N 437.543 5.444 30 10 IKEE C=CCOc1cn(Cc2ccc(C)cc2)c(CNc2ccc(N3CCCCC3)cc2)cc1=O 1870814141 YDUDFNODALNNCS-UHFFFAOYSA-N 443.591 5.372 30 10 IKEE CC(C)Cn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(C(C)C)cc1 1871251551 KSQIIONBAZYPNB-UHFFFAOYSA-N 429.564 5.690 30 10 IKEE CCN(CC)CCCCN1COc2cc(C)c3c(c2C1)O/C(=C\C=C\c1ccccc1)C3=O 1871348717 LJZYHUCCGQXVEK-WFWALWOCSA-N 446.591 5.441 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1cccc(Cl)c1)O3)CN(CCC1=CCCCC1)CO2 1871349477 OAOVJLCDOVYEQS-UCQKPKSFSA-N 435.951 6.307 30 10 IKEE CCn1cc(/C=C2\Oc3c(ccc4c3CN([C@@H]3CCCC[C@H]3C)CO4)C2=O)c2ccccc21 1871351337 VUHFDPMBDMOUEU-XHQMDDBYSA-N 442.559 6.008 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4cc(Cl)ccc4Cl)c3C)C2=O)o1 1871381233 OJBMTKVPLNPFSW-GRSHGNNSSA-N 429.255 6.039 30 10 IKEE CC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)c1 1871390100 FWMGAFBPCCIFKK-FMCGGJTJSA-N 428.440 5.064 30 10 IKEE COc1cc(OC)c(OC)cc1/C=C1\Oc2c(ccc(OCCc3ccccc3)c2C)C1=O 1871400147 KUXNDEZIBWVGBJ-MYYYXRDXSA-N 446.499 5.259 30 10 IKEE Cc1cc(C)c(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2cccs2)C3=O)c(C)c1 1871403558 ZKCXRBJTOBKRNT-QLTNSANVSA-N 447.556 6.004 30 10 IKEE Cc1cc(O[C@H](C)C(=O)Nc2cccc(Cl)c2C)cc2c1C(=O)/C(=C/c1ccco1)O2 1871408074 TVTCTDUHGDIXCY-ZGFXFUDXSA-N 437.879 5.572 30 10 IKEE Cc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccccc1F)C2=O 1871408254 CJWSRFWABFPDRE-PGECNJAHSA-N 431.463 5.465 30 10 IKEE COc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1cccc(F)c1)C2=O 1871411885 LFQBDPBLHNFNJO-GEWRUKCFSA-N 447.462 5.165 30 10 IKEE C[C@@H](NC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O)c1ccccc1 1871424804 WWMYXYWIEPXBGL-GEWRUKCFSA-N 433.891 5.212 30 10 IKEE Cc1ccc2oc(=O)cc(COc3cc(C)c4c(c3)O/C(=C\c3cccs3)C4=O)c2c1 1871460566 TUULOUASSCIYSI-UUYOSTAYSA-N 430.481 5.667 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(C)cc2)[nH]c(N(CC)CCCC)n1 1871479104 JBUHGACPXMWSOR-UHFFFAOYSA-N 440.680 6.525 30 10 IKEE CCCCCCCCCCN=c1nc(N(C)CCCC)[nH]c(=Nc2ccccc2CC)[nH]1 1871558835 UVGDDMCFZHIUJV-UHFFFAOYSA-N 440.680 5.810 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(C(C)C)cc1)C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1871830026 PYNZBTRYNBHZDD-QFIPXVFZSA-N 449.016 5.303 30 10 IKEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(=O)(=O)CCCC 1872211001 SNVTVXKUWLJGQR-XMMPIXPASA-N 442.625 5.387 30 10 IKEE CCc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(C)cc3C(C)(C)C)n2)cc1 1872761467 NXPNXHOJIFKSGM-FQEVSTJZSA-N 432.589 6.234 30 10 IKEE N#C[C@@H](C(=O)CCCOc1ccc(Cl)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872763911 YFKZMAUJAZADAE-SFHVURJKSA-N 441.896 5.407 30 10 IKEE Cc1ccc(C)c(-c2csc([C@@H](C#N)C(=O)COc3cc(Cl)ccc3Cl)n2)c1 1872772225 LTAHLNHQGPBOML-INIZCTEOSA-N 431.344 5.989 30 10 IKEE CCCc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3cccc4ccccc34)cs2)cc1 1872775346 OGHOKCDEXPSEFI-QHCPKHFHSA-N 426.541 6.171 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)cc1C(C)C 1872780073 ZBHNDXPFPIMRHL-IBGZPJMESA-N 449.532 5.957 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@H](C#N)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)n1 1872780128 AIZANSNUIQLKTM-MBNRZODZSA-N 433.489 5.233 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@H](C#N)C(=O)Cc2cc(Cl)ccc2Cl)n1 1872781183 QDRLHJOXLCSMKA-QGZVFWFLSA-N 445.371 6.161 30 10 IKEE CCCCCCCCCCN1C[C@@H](C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)CC1=O 1873007069 XVQJHIUAQBFUEC-QHCPKHFHSA-N 449.639 5.773 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H]2CCCC[C@H]2C)=C(c2c(C)cc(C)cc2C)C1=O 1873121511 GEVITLDMEPMFKD-OFNKIYASSA-N 438.656 6.221 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H]2CCCC[C@H]2C)=C(c2ccc(F)c(C)c2)C1=O 1873152594 IQYYBUAPSSDREX-XMSQKQJNSA-N 428.592 5.743 30 10 IKEE CCCCCCCCC(=O)Nc1sc(C)c(C)c1-c1nc(-c2ccc(C)cc2)no1 1873451155 SKHIXYJSYKYWTB-UHFFFAOYSA-N 425.598 7.079 30 10 IKEE N#Cc1cccc(Nc2nc(N3CCc4ccccc43)nc3c2cnn3-c2ccccc2)c1 1873482395 WEMHGTTZWFUGAG-UHFFFAOYSA-N 429.487 5.125 30 10 IKEE CC(C)c1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc2cc[nH]c2c1 1873505346 LFOWJGMZEFLYKG-OPEKNORGSA-N 427.936 5.850 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)c(Cl)c2)cc2c(NCc3ccccc3C)ncnc21 1873618510 CVIROVGMAJWEEK-UHFFFAOYSA-N 445.954 5.752 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1cc(Cl)ccc1C)n2CC 1873619678 KKENBNYEVFHRAF-UHFFFAOYSA-N 442.007 6.438 30 10 IKEE CCCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(OCC)cc1 1874271422 VEWAQOKUHRIBDL-NLRVBDNBSA-N 430.577 5.805 30 10 IKEE CCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874283023 LUJKWIRVRVCVSO-FSJBWODESA-N 439.799 6.018 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccccc3Cl)n2/N=C/c2ccncc2)c1 1874366929 BNVCTPBNVJJVKN-VULFUBBASA-N 433.968 5.785 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2Cl)c(F)c1 1874366966 DGRXNPQSEJQJGY-LGJNPRDNSA-N 440.906 6.051 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccccc3)nnc2[C@H](C)c2ccccc2)c1O 1874395114 DOASUXFQEZHOFG-CVLFLDGLSA-N 444.560 5.319 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3)n2/N=C/c2ccccc2Cl)c1 1874402368 VVOSLCOKSVEKRZ-WPWMEQJKSA-N 447.007 6.200 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2-c2cccs2)cc1 1874425684 VAWIGLYUROIHFV-BHGWPJFGSA-N 446.935 6.113 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874440626 LRGWOUOTLUCLJP-YDZHTSKRSA-N 443.960 5.603 30 10 IKEE C=C(C)CSc1nnc([C@@H]2CCCO2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874446510 CYQAMGQRCQFEDF-IBUSPFOHSA-N 434.565 5.259 30 10 IKEE O=[N+]([O-])c1cc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccco2)ccc1Cl 1874466228 DANPPTWUOBJIQC-WSDLNYQXSA-N 439.884 5.274 30 10 IKEE COc1cccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C(C)(C)C)c1O 1874485877 QPQPYRMAMOICNB-FSJBWODESA-N 430.961 5.118 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CC2)cc1OC 1874520511 ICQRIUWHZUIUAK-FSJBWODESA-N 428.945 5.001 30 10 IKEE Cc1ccccc1COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(-c2ccccc2)cc1 1874569798 HCCMHMPHZYZUBX-BMRADRMJSA-N 438.954 7.791 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OCC(=O)Nc1ccccc1F 1874596387 NEKNAXSUNALEAC-FMIVXFBMSA-N 433.479 5.365 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1OCc1ccc(Cl)cc1 1874597226 AOBMKHAZGSITHL-RVDMUPIBSA-N 428.915 6.977 30 10 IKEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1OC 1874601911 KACNLAWTUMETRH-GZTJUZNOSA-N 443.543 5.506 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1cccc(F)c1 1874614541 QUIQHOZBWQKCNU-IZZDOVSWSA-N 445.317 7.006 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 1874615837 RYLBPRUSNQFBKX-YCRREMRBSA-N 446.261 6.516 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OCc1ccccc1Cl 1874618015 FPAOYYMVDLIMMU-VAWYXSNFSA-N 436.935 6.449 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OCc1ccc(Cl)cc1Cl 1874618690 OFXWMWWECKYLAZ-UXBLZVDNSA-N 441.354 7.094 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(Br)c2)cc1 1874625460 GQJDZVZPXNPAGT-RIYZIHGNSA-N 431.370 6.703 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OCc1cccc(F)c1 1874633000 GXIQESXZZZSDJZ-PKNBQFBNSA-N 438.926 6.970 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3c(F)cccc3Cl)cc2)c2ccccc12 1874638016 DMMNZKJQOSJUPN-RVDMUPIBSA-N 446.905 7.116 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OC(=O)CCc1ccccc1C 1874697363 TYOUDGAWLSYHSL-SDNWHVSQSA-N 434.919 6.091 30 10 IKEE CCOc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(F)cc3F)c2)cc1 1874699650 GJESUDIMGNJGCC-AWNIVKPZSA-N 438.426 5.244 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cccc(OC(=O)COc3ccccc3)c2)c1 1874713158 ISVJIMBFWPMSEB-FYWRMAATSA-N 446.499 5.365 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OC(=O)c1ccncc1 1875097146 XGHCCOJFOXWUMV-JXMROGBWSA-N 443.499 5.093 30 10 IKEE O=C(Cc1ccc(Cl)cc1)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1 1875104424 WWNVXIBNQVBLIU-LFYBBSHMSA-N 445.729 6.691 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2)c(OC)c1 1875137865 IPDGVGZHHQOAMB-NTEUORMPSA-N 430.500 5.365 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)[C@H]3CCCO3)c(Cl)c2)c1 1875172455 VJJIXPRVZXYXBQ-BWAMLYQTSA-N 444.911 5.118 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OC(=O)C2CCC2)c([N+](=O)[O-])c1 1875180167 PCSGWAUVOIKLEQ-SOFGYWHQSA-N 429.856 5.167 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc(OC)c1OC(=O)CCC 1875181815 YUKLIMREDYIQKT-ZHACJKMWSA-N 442.939 5.996 30 10 IKEE CC[C@@]1(C)N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1887216759 IFVAWSVKEJTAGQ-RPBOFIJWSA-N 443.588 5.496 30 10 IKEE C=CCC1([C@@H](NCCC)c2cc(Br)cs2)CN(C(=O)OC(C)(C)C)C1 1923047861 UPKRGLPTYREEDW-INIZCTEOSA-N 429.424 5.365 30 10 IKEE Cc1ccc([C@@H](n2nc(C3CC3)c(C#N)c2I)C2(C)CC2)c(C)c1 2079031693 QIIYQEGMAWCHCV-GOSISDBHSA-N 431.321 5.243 30 10 IKEE C=CCCCCCCCC[C@H](CCN(Cc1ccccc1)C(=O)OC(C)(C)C)NCCC 2086258338 CNDJRAFECDHNJT-AREMUKBSSA-N 444.704 7.489 30 10 IKEE CC(C)N[C@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)CC1(C)CC1 2086586067 VOUIXUDANRYIGE-MUUNZHRXSA-N 432.656 5.071 30 10 IKEE N#Cc1cc(Br)ccc1NCc1cccc(Br)c1Br 2092333720 RDEHNOYXVHAIGZ-UHFFFAOYSA-N 444.952 5.458 30 10 IKEE C=CCC1([C@H](NC)c2c(Br)ccc(Cl)c2F)CN(C(=O)OC(C)(C)C)C1 2098958358 GRBVOHVSIFLEQH-MRXNPFEDSA-N 447.776 5.315 30 10 IKEE CCN[C@H](CC#C[Si](C)(C)C)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2130935203 QJMWGBNXFVGYKI-QGZVFWFLSA-N 439.470 5.718 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@](C)(O)c1ccc(C)c(Br)c1 2162076753 BOTWYOJTNKQLFU-XZOQPEGZSA-N 432.402 5.106 30 10 IKEE CCC[C@@]1(CNc2ccc(C#N)c(Br)c2)CCCN(C(=O)OC(C)(C)C)C1 2162415709 QRJRJYGWAHACBK-NRFANRHFSA-N 436.394 5.550 30 10 IKEE CC(C)(C)OC(=O)NC1CCC2(CC1)CC(Nc1ccc(Br)cc1C#N)C2 2176703759 WUIAVEFCFBDJSE-UHFFFAOYSA-N 434.378 5.349 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](Cc2cc(F)cc(Br)c2)NCCC)C1 2197747492 DVJXZKFMSAQODB-GOSISDBHSA-N 441.385 5.112 30 10 IKEE CC1CCC(CNc2cc(Br)cc(F)c2C#N)(NC(=O)OC(C)(C)C)CC1 2201480804 VACBCQUBJAEUJE-UHFFFAOYSA-N 440.357 5.345 30 10 IKEE Cc1sc([C@@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)c(Br)c1C 2209066549 CABRMHVVDAUQJV-MRXNPFEDSA-N 435.387 6.129 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)cc1Cl 2230370283 CZZBGMNVMFGZSV-ROUUACIJSA-N 445.829 6.003 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Br)ccc1[C@@H](N)C#Cc1ccc(Cl)cc1 2231105304 ZLFZRZBKQCFBCN-KRWDZBQOSA-N 435.749 5.501 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)CCN(C(=O)OC(C)(C)C)C(C)C 2235732888 SPVWCDJYMLTETD-IBGZPJMESA-N 437.422 5.204 30 10 IKEE CCCCCC#CC[C@@H](O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237400959 ZQNXZJGEQXWXHC-WOJBJXKFSA-N 438.406 5.220 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2ccc(C#N)c(Br)c2)C[C@@H]2CCCC[C@@H]21 2240958050 QPLGVZKNYAPRSP-FNHZYXHNSA-N 434.378 5.301 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](O)c1sc(Br)c(C)c1C 2265921400 OCHDXKOQPZRYME-OALUTQOASA-N 438.431 5.302 30 10 IKEE C=CCC1(COc2nccc(C)c2Br)CCN(C(=O)OC(C)(C)C)CC1 2272148833 IVNFLCCLACALAQ-UHFFFAOYSA-N 425.367 5.125 30 10 IKEE C=CCC1([C@@H](N)c2cc(Br)cc(C(C)(C)C)c2)CN(C(=O)OC(C)(C)C)C1 2288659570 NQDACJWFVNCLFJ-SFHVURJKSA-N 437.422 5.560 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCCN)c1cc(C(F)(F)F)ccc1Br 2293323833 ZUTBFYCPOTWBDE-LJQANCHMSA-N 444.291 5.257 30 10 IKEE COc1cc(C=CC(C)=O)cc(Br)c1OCc1ccc(Cl)cc1Cl 2296515046 ACTRDPMMPNLGAQ-UHFFFAOYSA-N 430.125 5.946 30 10 IKEE O=C1C(=O)N(Cc2cccnc2)[C@H](c2cccc(Cl)c2)C1=C(O)c1cc2ccccc2o1 2296626433 OQOWORRFRKYSAD-JOCHJYFZSA-N 444.874 5.103 30 10 IKEE CCOC(=O)C1=C(Nc2cccc3ccccc23)SC(=Cc2ccc(OC)cc2)C1=O 2297329445 HSHLYGHTOOIUME-UHFFFAOYSA-N 431.513 5.392 30 10 IKEE C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CCC2=NN=Cc1ccc([N+](=O)[O-])s1 2297476614 BKFIBDWKIPCPQA-WPCHUGEVSA-N 441.597 5.755 30 10 IKEE COC(=O)c1ccc(C=C2SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)cc1 2297500517 LFLBGIVGVULLMZ-UHFFFAOYSA-N 428.513 5.277 30 10 IKEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2304200983 VFJVCCVUOVXGCB-HOOSLVGPSA-N 435.609 5.484 30 10 IKEE Cc1cccc(N=C2SC(=Cc3cccc4ccccc34)C(=O)N2C2CCCCC2)n1 2314540725 WXGSXAXNPOVRMF-UHFFFAOYSA-N 427.573 6.480 30 10 IKEE CCCN(CC(B1OC(C)(C)C(C)(C)O1)=C(C)C)C1CCN(Cc2ccccc2)CC1 2317849769 QTCKJQACZZMSNH-UHFFFAOYSA-N 426.454 5.331 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(OC(C)C)c(Cl)c1 2318573944 BEHNQOSOUDVXBZ-UHFFFAOYSA-N 446.979 5.985 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)cc1 2321354043 MPWRVGZPCFLOJY-VQTJNVASSA-N 441.572 5.418 30 10 IKEE COc1cc(C=Nn2c(S)nnc2CC(C)(C)C)ccc1OCc1cccc(Cl)c1 2321937288 QYUVCHJIHRHHJC-UHFFFAOYSA-N 444.988 5.279 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc3c2CN(Cc2ccc(OC)cc2)CO3)C1=O 2321944951 XPYUGCPLPJRESX-UHFFFAOYSA-N 443.499 5.062 30 10 IKEE CCOc1ccccc1C=C1Oc2c(cc3c(c2C)OCN(Cc2ccc(C)cc2)C3)C1=O 2322307604 QJGWJVNXJGOUNN-UHFFFAOYSA-N 441.527 5.670 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1c(Cl)cccc1Cl)C3=O)CN(C[C@@H]1CCCO1)CO2 2322307732 VBTDDGCWLRVMCV-HNNXBMFYSA-N 446.330 5.249 30 10 IKEE Cc1cc(C(=O)C=Cc2cc(Br)ccc2OCc2ccccc2C)ccc1F 2322627653 XCHRNDFQWHKMRI-UHFFFAOYSA-N 439.324 6.680 30 10 IKEE CCOC(=O)c1ccc(COc2ccccc2C=CC(=O)c2ccc(OC)c(C)c2C)o1 2322810066 LGGXSOOKAXSFJB-UHFFFAOYSA-N 434.488 5.557 30 10 IKEE COc1cccc2cc(C(=O)Oc3cc(C)c4c(c3)OC(=Cc3ccccc3)C4=O)oc12 2322860334 KFRSKPWAUGKDJM-UHFFFAOYSA-N 426.424 5.585 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2c(OCc3cc(C)ccc3C)ccc3ccccc23)c(C)c1 2322948537 VIXGNVTTXCKEDO-UHFFFAOYSA-N 434.579 7.857 30 10 IKEE CCc1ccccc1NC(=O)COc1cccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)c1 2323047467 VXJQJHBHETUOPZ-UHFFFAOYSA-N 430.460 5.071 30 10 IKEE COc1cc(C=NNc2cnnc(O)c2Cl)ccc1OCc1ccc(C(C)(C)C)cc1 2323101763 OJXGZCISYGRZBU-UHFFFAOYSA-N 440.931 5.167 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1OCc1c(F)cccc1Cl 2323126254 LNJWVITUCLHPER-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE Cc1c(OC(=O)C(c2ccccc2)c2ccccc2)ccc2c1OC(=Cc1cccnc1)C2=O 2323211544 OOQLWBPIQWURDZ-UHFFFAOYSA-N 447.490 5.744 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc1OCc1ccc(F)cc1 2323295695 DSSZITBZQGYEKD-UHFFFAOYSA-N 440.898 6.280 30 10 IKEE CCCOC(=O)COc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1OCC 2323353171 VPSSYCNNCZYKSS-UHFFFAOYSA-N 444.527 5.980 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)c1 2323486989 WPWNMHDUKZTYHW-UHFFFAOYSA-N 439.870 5.401 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc(F)c2)c(Cl)c1)c1cccc(Br)c1 2323652865 KMMZFBUYKMPAGD-UHFFFAOYSA-N 445.715 6.717 30 10 IKEE CCCOc1ccc(C=NNc2nc(-c3ccc(C)cc3C)cs2)cc1Br 2323844214 JSQNTTCIXRCHDS-UHFFFAOYSA-N 444.398 6.424 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3cccc(F)c3)c([N+](=O)[O-])c2)c(C)c1C 2324305259 PTPDDXGISDDGPQ-UHFFFAOYSA-N 435.451 5.834 30 10 IKEE CCOc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3cccc(OC)c3)cs2)cc1OC 2324383521 VENFCBSJTRBJDN-LJQANCHMSA-N 434.517 5.116 30 10 IKEE Cc1ccc(OCCCOc2ccc3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)cc1 2324545156 MBZWJSQNAATMTA-UHFFFAOYSA-N 431.444 5.367 30 10 IKEE CCc1ccc(NC(=O)[C@H](CC)Oc2ccc3c(c2C)OC(=Cc2ccncc2)C3=O)cc1 2324817188 WUZSETIUADAMLF-QFIPXVFZSA-N 442.515 5.365 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(O[C@H](C)C(=O)Nc4c(C)cccc4C)c3C)C2=O)c1 2325145472 GITALBOUHSFRJO-HXUWFJFHSA-N 441.527 5.942 30 10 IKEE Cc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccccc2Cl)cc1 2325449131 CDCDNWJWNJMSMJ-UHFFFAOYSA-N 447.007 6.200 30 10 IKEE Cc1cc(Cl)ccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1cccs1)C2=O 2325716526 PMDRADHFJPPXAH-UHFFFAOYSA-N 439.920 5.652 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccc(OCC)cc1 2326539913 LBNARKRBORDYNA-UHFFFAOYSA-N 442.972 5.378 30 10 IKEE Cc1ccc(OCCCc2nnc(SCc3ccccc3)n2N=Cc2ccccn2)cc1 2327186951 KFXPSPKNIWOLME-UHFFFAOYSA-N 443.576 5.168 30 10 IKEE Oc1cccc(C=Nn2c(CCc3ccccc3Cl)nnc2SCc2ccccc2)c1 2327956880 QWIDBCJSXSAQCQ-UHFFFAOYSA-N 448.979 5.597 30 10 IKEE C=CCSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1ccc(N(CC)CC)cc1 2328801181 SWJQMXHUXFYQMJ-UHFFFAOYSA-N 449.624 5.480 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2N=Cc2ccc[nH]2)cc1C 2329445769 GPCOBZASMXFSIM-UHFFFAOYSA-N 435.984 5.642 30 10 IKEE COc1cccc(C=Nn2c(Cc3ccccc3F)nnc2SCCc2ccccc2)c1 2329750619 QLGYQTYSILSIHX-UHFFFAOYSA-N 446.551 5.234 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2Cl)n1N=Cc1ccccc1 2330110646 YKEDEJBUBBMTAM-SFHVURJKSA-N 432.980 6.258 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@H](C)c3ccccc3)n2N=Cc2cccnc2)c1 2330132069 HVIKEERSIQCOIW-HXUWFJFHSA-N 427.577 5.616 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3cccs3)n2N=Cc2ccc(N(C)C)cc2)c1 2330584061 XHAYKSWOXXCQMY-UHFFFAOYSA-N 447.633 5.864 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc4ccccc4n3C)cc2)cc1OC 2330710797 IYCIWXMEIVAFBN-UHFFFAOYSA-N 441.483 5.311 30 10 IKEE CSc1nnc(CC(C)(C)C)n1N=Cc1c(OCc2ccccc2)ccc2ccccc12 2330798475 AKEWLHWOTRFYQM-UHFFFAOYSA-N 444.604 6.203 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)C(C)(C)C)c(OCC)c2)cc1 2330839673 LWSTXICPFNQXKM-UHFFFAOYSA-N 442.983 6.929 30 10 IKEE Clc1ccc(CSc2nnc([C@@H]3CCCO3)n2N=Cc2cccnc2)cc1Cl 2331001030 NBAROJHWCYABMW-KRWDZBQOSA-N 434.352 5.006 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3ccccc3F)nnc2C2CCCC2)c1 2331071750 INKGBBKKTPDYKD-UHFFFAOYSA-N 438.572 6.038 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)c1ccccc1F 2331122142 QPVAMWPUETXAGH-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE Fc1ccccc1CSc1nnc(-c2ccco2)n1N=Cc1c(F)cccc1Cl 2331208450 NVRNMEQWTZRGRY-UHFFFAOYSA-N 430.867 5.644 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)COCc3ccccc3)c(Cl)c2)c1 2331320081 NNJHYNTZBVFNKR-UHFFFAOYSA-N 434.919 5.975 30 10 IKEE Cc1ccc(CSc2nnc(CC(C)C)n2N=Cc2cccc(Br)c2)cc1 2331421791 SAORFUNDTDJYNX-UHFFFAOYSA-N 443.414 5.722 30 10 IKEE COCc1nnc(SCc2ccccc2Cl)n1N=Cc1c(Cl)cccc1Cl 2331579815 KAGYKXRFYWUWSU-UHFFFAOYSA-N 441.771 5.559 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)c3ccncc3)c(OC)c2)c1 2331685577 RYQQBNMPGLXZEO-UHFFFAOYSA-N 447.487 5.003 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)Cc1ccc(F)cc1 2331705210 PHOQTZIIZIWVGS-UHFFFAOYSA-N 448.490 5.504 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3Cl)cc2)c(OC)c1 2331716734 GUDXHQWJJJBURA-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE CC(C)C[C@@H](CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339575185 SKXRWCMSKVJHKP-HYSAVQALSA-N 445.413 5.078 30 10 IKEE CCCN[C@H](C#Cc1nc(C)cs1)c1scc(Br)c1Br 2363731508 ZZNFEHRXMJUUMZ-LLVKDONJSA-N 434.222 5.130 30 10 IKEE CC1(C)OB(C=Cc2ccc(Nc3cc(Br)ccc3Cl)nc2)OC1(C)C 2365049677 CBVYLKOKQUQYPE-UHFFFAOYSA-N 435.558 5.886 30 10 IKEE CC1(C)OB(/C=C/c2ccc(N[C@H]3CN(Cc4ccccc4)C4(CCC4)C3)nc2)OC1(C)C 2365068322 OUITVYHTIQYLPD-HRNYAPDYSA-N 445.416 5.335 30 10 IKEE Cc1cc(CNc2ccc(Cl)c(Br)c2)ccc1B1OC(C)(C)C(C)(C)O1 2369614362 YAXAGULEOJQXMX-UHFFFAOYSA-N 436.586 5.322 30 10 IKEE N#Cc1ccccc1CSc1nc(=O)c2c(-c3ccc4c(c3)CCCC4)csc2[nH]1 2614527 JCIUWBAMUSKEFW-UHFFFAOYSA-N 429.570 5.694 30 10 IKEE Cc1ccc(CN2C(=O)/C(=N\Nc3cccc(C)c3)c3cc(Br)ccc32)cc1 20615751 AQCNKVYIWOELLR-ROMGYVFFSA-N 434.337 5.429 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(C)s1)N2 20689241 KUJOCSUTWKTUQY-PWHSHALESA-N 426.607 5.246 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(OCC)c(Cl)c2)cc1 20884944 LIUPYHQYBSQZSA-HKUYNNGSSA-N 439.939 5.142 30 10 IKEE COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2[N+](=O)[O-])c1 21225308 XPQWYQKWEFHHNF-WGDIFIGCSA-N 441.487 5.583 30 10 IKEE CCOc1cccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OCC(C)C)cc2)C3)c1 21230706 HFZWKGZTOXOBCE-REWPJTCUSA-N 433.548 5.124 30 10 IKEE C/C(=N/n1c(-c2ccc(Cl)cc2)cs/c1=N/c1ccc(Cl)cc1)c1ccncc1 33737163 ZQCAXIHJKPXEGG-LAEHGPEQSA-N 439.371 6.423 30 10 IKEE COc1cc(/C=C\C(=O)c2ccc(OC(=O)/C=C\c3ccccc3)cc2)cc(OC)c1OC 34955170 QVFQEHJWYKTJTD-VULZFCBJSA-N 444.483 5.227 30 10 IKEE C/C(=C1/S/C(=N/c2ccncc2Cl)N(c2ccccc2)C1=O)c1ccc(Cl)cc1 39864558 WHTUOZFAEOXNKH-SMAGERFBSA-N 440.355 6.587 30 10 IKEE C=CCc1ccccc1OCCCCn1c([C@H](C)NC(=O)C(C)(C)C)nc2ccccc21 40190121 KKGVCWTULXEKFA-FQEVSTJZSA-N 433.596 5.847 30 10 IKEE C=CCc1ccccc1OCCCn1c(CNC(=O)c2ccccc2C)nc2ccccc21 40276023 CHZODJYFTLTAJY-UHFFFAOYSA-N 439.559 5.472 30 10 IKEE Cc1c(C(=O)N(C)c2ccccc2)oc2c1/C(=N/Nc1cccc(C(F)(F)F)c1)CCC2 40824028 QUJTXKWGGTXSIB-VUTHCHCSSA-N 441.453 6.036 30 10 IKEE O=C(Nc1ccccc1)O/N=C1\C=C/C(=N\OC(=O)Nc2ccccc2)c2ccccc21 59505424 FAJIPZPBWSTBLO-GPAWKIAZSA-N 426.432 5.162 30 10 IKEE O=C(/C=C/Cc1ccccc1)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 90615167 HXPFOIWLHJLFFD-QRHGRHGXSA-N 445.606 6.668 30 10 IKEE CC1CCN(S(=O)(=O)c2ccc(C(=O)/C=C\c3cccc(Cl)c3Cl)cc2)CC1 96792387 ROBKVCMWURPRLC-YFHOEESVSA-N 438.376 5.310 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 100153434 ITCMYLCXMUGHGA-UHFFFAOYSA-N 436.596 6.304 30 10 IKEE CCCCCCCCCCCn1c([C@@H](C)NC(=O)COc2ccccc2)nc2ccccc21 102128213 WNPDSNFCAWDVCN-HSZRJFAPSA-N 449.639 6.823 30 10 IKEE Cc1ccc([C@@H]2/C(=C(/O)c3ccc(C)o3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 103224385 AYBPWPNXBJNANW-GOBJLOIFSA-N 448.475 5.272 30 10 IKEE O=C1C[C@@H](S/C(=N/c2ccccc2)NCc2ccccc2)C(=O)N1c1ccccc1Cl 105533856 GPTVGOBDDNIICU-OAQYLSRUSA-N 449.963 5.183 30 10 IKEE CCOc1cc(/C=N\n2c(SC)nnc2C(C)C)ccc1OCc1ccccc1F 169915643 ZQQMQVXFBWMHJT-CFRMEGHHSA-N 428.533 5.122 30 10 IKEE CCCN1C(=S)N[C@@H](c2cc(Cl)c(O)c(OCC)c2)C(C(=O)c2ccccc2)=C1C 169929002 MVYBFPLKKYZXSN-FQEVSTJZSA-N 444.984 5.242 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2cccc(C)c2)c1 169930655 XGGAXFYAIAESFR-XMMPIXPASA-N 439.467 5.533 30 10 IKEE CCCOc1c(OC)cc(/C=N\Nc2nc(-c3cccc(OC)c3)cs2)cc1OC 169943078 IQQALPWDZTZGTD-QRVIBDJDSA-N 427.526 5.071 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 170029483 GUZLCURLLMXXCI-XMMPIXPASA-N 443.499 5.185 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)c(C)c2)[C@@H]1c1cccc2ccccc12 170045941 KZBGXTWVRWCICA-DEOSSOPVSA-N 429.516 5.071 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@@H]2c2ccccc2)c1 170047568 MQJXFMLSSGCTNT-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2c[nH]c3ccccc23)c1 170074408 TXOMZPCGDDJFNU-QHCPKHFHSA-N 442.902 5.913 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2ccccc2C)cc1 170088612 WDNRFIRDEJISGP-XMMPIXPASA-N 427.500 5.403 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2Cc2cccnc2)c1 170144606 KOZWUWPGCOEJFR-VWLOTQADSA-N 438.527 5.047 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@H]1c1cccs1 170165525 BWPAPCXALNJNKG-LJQANCHMSA-N 433.957 5.569 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccccn2)cc1C 170175642 ALBYQXXIRTWZII-XMMPIXPASA-N 442.515 5.188 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccn2)cc1 170179342 YLOMVWBKPBVRHO-DEOSSOPVSA-N 448.563 5.562 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1cccnc1)c1ccc(Cl)cc1 170188947 AQOYYCFBSHDQOO-LJQANCHMSA-N 425.271 5.171 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(OCCC)cc1 170215355 MHBBWALZYZPRDV-OAQYLSRUSA-N 427.928 5.507 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2OC)[C@H]1c1cccc2ccccc12 170220838 FMRKQWNPRHWFJC-XMMPIXPASA-N 429.516 5.535 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2)cc1C 170221937 COASFSBKIQLEAE-QFIPXVFZSA-N 433.529 5.152 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 170226564 OFJIBOLANJEGIA-HSZRJFAPSA-N 447.918 5.912 30 10 IKEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@@H]1c1ccccc1)c1cccc2ccccc12 170234620 HCIWDTFIJMQEJN-XMMPIXPASA-N 445.478 5.499 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 170239580 OGNYGYKATPYOBV-XMMPIXPASA-N 445.490 5.643 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 170265906 LCDIQUMUIGDFJY-BWKNWUBXSA-N 441.527 5.160 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1ccccc1C 170271749 YKXDGGYJWXYKFE-QHCPKHFHSA-N 443.499 5.109 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2C)cc1 170278456 CEAHITBYABBBCF-RUZDIDTESA-N 447.575 6.085 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@H]1c1c(C)[nH]c2ccccc12 170312147 ANKFYMIRBXYJRX-XMMPIXPASA-N 446.547 5.499 30 10 IKEE C=CCOc1ccccc1OCC(=O)Nc1cccc(-c2csc(-c3cccnc3)n2)c1 170538082 BLFXZYWPHLCSDI-UHFFFAOYSA-N 443.528 5.454 30 10 IKEE C=CCc1ccccc1OCc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)o1 222322124 CEJDFXWWYJBRDR-HXUWFJFHSA-N 441.531 5.483 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 226698799 VHNLTAOOLJKMRA-UMEGOILYSA-N 440.971 7.424 30 10 IKEE COc1ccc(NC(=O)c2c(N=Cc3cccc(F)c3)sc3c2CCCC3)c(OC)c1 254732840 KUFUSXIITMJVQI-UHFFFAOYSA-N 438.524 5.786 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3Cl)[C@@H]2c2cccc(O)c2)cc1 526491820 RTBAIKGLZKJTNM-NRFANRHFSA-N 437.282 5.628 30 10 IKEE CCOc1cc(/C=N\n2cnnc2SCc2ccccc2F)cc(Cl)c1OC(C)C 526802293 FOEMIUURDFUNGT-GATIEOLUSA-N 448.951 5.431 30 10 IKEE Cc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1ccc(Br)cc1 526806311 ZPISLRYFMIISQV-QRVIBDJDSA-N 443.414 5.821 30 10 IKEE Cc1ccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccc(C)cc2C)cc1 526811864 APIKEQZRCUCGLO-VEILYXNESA-N 440.616 6.163 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccc(O)cc2)c(C)c1 526811884 BYRBLNBJXDVASS-QQXSKIMKSA-N 428.561 5.366 30 10 IKEE Clc1cccc(/C=N\n2cnnc2SCc2c(Cl)cccc2Cl)c1Cl 526813712 CDQMQIPWGRCOLZ-HOEBFWFUSA-N 432.163 6.066 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1c(C)n(C)c2ccccc12 526823754 QTPXQIQINZEDBV-MYKKPKGFSA-N 444.391 5.868 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1ccc(F)c(F)c1F 693450341 XSJIBXFQLAAEJW-HNNXBMFYSA-N 441.247 5.873 30 10 IKEE COc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2C)cc1Br 698478260 RRDPCPQCVUAKDF-SFHVURJKSA-N 431.330 5.773 30 10 IKEE CC1(C)OB(c2ccc(Cn3ccc4cc(OCc5ccccc5)ccc43)cc2)OC1(C)C 720929649 VETOVMGNHWYBDE-UHFFFAOYSA-N 439.364 5.568 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CC[C@@H]2CCCC[C@H]2C1 723606052 AZTLDGYNXGASMJ-PNLZDCPESA-N 433.390 6.443 30 10 IKEE Oc1ccc(N=Cc2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)cc1 1084578989 QSMINCSEZJUBNF-UHFFFAOYSA-N 448.953 7.921 30 10 IKEE CC(C)=CC(=O)NC1=CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@H]([C@H](C)N(C)C)CC[C@H]32)C1=O 1615811125 FPBGDMGTAHIUMI-HUZFFCIZSA-N 440.672 5.351 30 10 IKEE C=CCN1C(=O)/C(=C(\C)c2ccc(Br)cc2)SC1=Nc1cccnc1Cl 1772732955 HZZGAXMPXUQXND-OMLAYDHKSA-N 448.773 5.678 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(OCCCC)c(OC)c2)SC1=Nc1cccc(C)n1 1772736054 KHHMTYBFMRNFSR-NUPZHTTHSA-N 437.565 5.368 30 10 IKEE CCOc1cc(/C=C2/SC(=Nc3nc(C)cs3)N(C3CCCCC3)C2=O)ccc1O 1772736311 IZTISWMXRRGXMX-VLTWACRQSA-N 443.594 5.493 30 10 IKEE N#Cc1cccc(C(=O)NCc2ccc(OC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c1 1858913223 XBTUKDBFKUGCIB-UHFFFAOYSA-N 440.286 5.406 30 10 IKEE CCCCCCCCCNC(=O)[C@@H]1CC(=O)N(CCCC)[C@@H]1c1cccc(OC)c1OC 1860319133 JHCHRBILQNKKGQ-ZJSXRUAMSA-N 446.632 5.260 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] 1861129623 JAXRAPGQAXDZER-WUKBZCGHSA-N 445.604 5.540 30 10 IKEE CCCCCCCCCCNC(=O)CNC(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1 1861420018 LZGZVXVTPOUBBK-UHFFFAOYSA-N 434.584 5.217 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)CCCOc1c(C)cccc1C 1861678628 QTVDWUHCQVPFFW-HSZRJFAPSA-N 432.649 5.614 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(OCC(C)C)cc1 1861769038 FBOBVDWCHZAIHR-DEOSSOPVSA-N 430.633 5.583 30 10 IKEE N#Cc1ccc(NC(=O)c2cc(CCc3ccccc3)n(-c3cccc4ccccc34)n2)cc1 1862328927 FPTDOMFWDDJPFD-UHFFFAOYSA-N 442.522 5.935 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CC)cc1 1862409690 QWSTVWAYJXQSSL-HSZRJFAPSA-N 437.536 5.171 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccccc1F 1862411760 OJTSANJEYHILFN-AOMKIAJQSA-N 445.481 6.041 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc(O)c1 1862430938 VZIJNVPFHYHABQ-JOCHJYFZSA-N 441.955 5.984 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCc2ccccc2)cc1 1862444683 DRXKEILGAMMVCJ-QHCPKHFHSA-N 447.918 5.170 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(O)c(OC)c1 1862448133 GQMBZQVEXRSUNL-OAQYLSRUSA-N 443.927 5.213 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CC2)cc1OC 1862484788 VFTBHFKGRUKGSM-DEOSSOPVSA-N 449.547 5.313 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCc3ccc(Cl)cc3)[C@@H]2c2ccccc2)ccc1F 1862500586 JMCDCIWJFPVERK-HSZRJFAPSA-N 449.909 5.609 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1Cl 1862584445 YMOSXQZAPOKTKK-SFHVURJKSA-N 438.738 6.025 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1c(Cl)cccc1Cl)c1cccc(O)c1 1862598400 RJYWPPNJFZNMRB-IBGZPJMESA-N 444.270 5.071 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccc(C)cc2)cc1 1862648629 GWTXQSLCIFJSKH-MHZLTWQESA-N 447.534 6.235 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862663205 OYXGSDLRVJJAHO-VWLOTQADSA-N 441.527 5.597 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2cc(Cl)cc(Cl)c2)cc1 1862667409 AHEKPUADUPWMOL-RNODOKPDSA-N 448.346 5.076 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@H]1c1cccc(Cl)c1)c1ccc(F)cc1 1862675602 PHNSHCNCHGDQSD-NRFANRHFSA-N 439.845 5.397 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc(Cl)c1 1862675947 XFCLORVUROQSSG-IRLDBZIGSA-N 443.946 6.416 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(CC)cc1 1862716026 WMTVPXJWXDAGKX-AREMUKBSSA-N 441.571 6.561 30 10 IKEE Cc1ccc(NC2=C(c3ccccc3Cl)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1Cl 1863077555 SZEFLEYUXATDHV-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(F)ccc2F)=C(c2cc(C)ccc2C)C1=O 1863403468 FEXXEORRFSLPJA-UHFFFAOYSA-N 440.534 6.134 30 10 IKEE CCOC(=O)c1c(-c2ccc3c(c2)CCCC3)csc1NC(=O)c1ccccc1CC#N 1866215019 WVXOPIDILHSKHF-UHFFFAOYSA-N 444.556 5.789 30 10 IKEE CCCCCCCCCCNC(=O)C[C@H](c1ccc(Cl)cc1)c1ccc(OCC)cc1 1868196670 MKYKGODSFCGCLX-AREMUKBSSA-N 444.059 7.518 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)nc(C(C)(C)C)n1 1869194489 MDAYFCXNUBTDRB-HXUWFJFHSA-N 444.545 6.313 30 10 IKEE CCCCCCCCC(=O)N1CC(Oc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)C1 1869900547 YEYCOQAOINPDFF-UHFFFAOYSA-N 442.987 5.933 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)n(C(C)(C)C)n1 1870000378 ODUHLVJTNCHHDS-PKNBQFBNSA-N 434.371 5.170 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N(CC)CC)nn1-c1ccc(Cl)c(Cl)c1 1870056096 PLJCSYISCSYVEQ-UHFFFAOYSA-N 440.419 6.109 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)Nc2ccccc2Cl)c(=O)cc1C 1870084914 BXJYJDXQVZZJCA-UHFFFAOYSA-N 432.992 5.968 30 10 IKEE CCCCCCCCCCn1cc(OCc2cccc(C)c2)c(=O)cc1CSCC 1870171089 LNPQBWBVCILPEU-UHFFFAOYSA-N 429.670 7.130 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2F)c(CSc2nccn2C)cc1=O 1870260013 UBPUQLGOAXBVON-UHFFFAOYSA-N 443.588 5.411 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(C)cc2)c(CSc2ccccn2)cc1=O 1870260061 XCWAUTHFMNSRPD-UHFFFAOYSA-N 436.621 6.242 30 10 IKEE CCCCCCCOc1cn(CCCCC)c(CNc2cccc([N+](=O)[O-])c2)cc1=O 1870837751 WYMWGGKWSOJLPS-UHFFFAOYSA-N 429.561 5.908 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OC(C)C)c(=O)cc1CNc1ccc(C)cc1 1870907766 WQKABBUFQSHRJS-UHFFFAOYSA-N 442.600 5.460 30 10 IKEE CCCCC[C@H](CC)N1COc2ccc3c(c2C1)O/C(=C\c1ccccc1Cl)C3=O 1871347497 CADFCGUGDASTTJ-PVFDWLMNSA-N 425.956 6.467 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc4c3CN(CCCCc3ccccc3)CO4)C2=O)c1 1871354202 KBGPYNDUHVMSGE-ONUIUJJFSA-N 425.528 5.786 30 10 IKEE Cc1cccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3nc5ccccc5[nH]3)C4)C2=O)c1 1871355625 QQPSPHNUGMXCDW-KSEXSDGBSA-N 437.499 5.148 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccccc1Br)C3=O)CN(CCC(C)C)CO2 1871359519 OSXQVTNDWQLSRH-JAIQZWGSSA-N 442.353 5.572 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)CCc4ccc(Cl)cc4)ccc3C2=O)cc1 1871368654 MJSBODVVZCWSOS-UCQKPKSFSA-N 434.875 5.503 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc(Cl)c(Cl)c3)cc(C)c2C1=O 1871372208 FPRJQSHHAYLQBA-NHDPSOOVSA-N 439.294 6.446 30 10 IKEE Cc1c(OC(=O)c2cccc([N+](=O)[O-])c2)ccc2c1O/C(=C\c1ccc(Cl)cc1)C2=O 1871373899 KMTLSVSWRUHRDE-JAIQZWGSSA-N 435.819 5.392 30 10 IKEE CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2sccc2C)C3=O)cc1 1871407477 NZFGXZWGZIIBLL-LRSOKBAUSA-N 449.528 5.477 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccc(Cl)cc4)cc(C)c3C2=O)c1 1871413940 FDHKGQVRGQHHNT-SUVVMJBMSA-N 447.918 5.979 30 10 IKEE Cc1c(OCCOc2ccccc2F)ccc2c1O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 1871417402 RXYMRNNXHBDZIG-HMAPJEAMSA-N 435.407 5.116 30 10 IKEE CCCCCCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1OC(F)F)C2=O 1871421341 AUOUXGLLZPENLF-BKUYFWCQSA-N 446.446 5.407 30 10 IKEE COc1cccc(-c2csc([C@H](C#N)C(=O)COc3ccc(Cl)cc3Cl)n2)c1 1872762431 MJDZEJMQFIDMLG-OAHLLOKOSA-N 433.316 5.381 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3cc(Cl)ccc3Cl)n2)cc1C 1872765940 ZXCHIQKBTLHBLB-HNNXBMFYSA-N 447.343 5.689 30 10 IKEE COc1cc(OC)c(-c2csc([C@H](C#N)C(=O)c3cccc4ccccc34)n2)cc1Cl 1872782987 OZPNHIQMXHEWOL-GOSISDBHSA-N 448.931 6.124 30 10 IKEE Cc1ccccc1OCCCC(=O)[C@H](C#N)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872787694 PKHXHBSTUKAAAV-KRWDZBQOSA-N 445.371 6.461 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(F)c(F)c3F)n2)c2ccccc12 1872788454 IVQDXZHFPNWQRA-INIZCTEOSA-N 438.430 5.879 30 10 IKEE CCCCCCCCN1C(=O)C(NC2CCCCC2)=C(c2ccc(-n3cccc3)cc2)C1=O 1873034618 HDBFZDHNRSMWJG-UHFFFAOYSA-N 447.623 5.840 30 10 IKEE CCCCCCCCN1C(=O)C(NCCC2=CCCCC2)=C(c2ccc(F)c(C)c2)C1=O 1873152891 OBMJZFFERPOOLW-UHFFFAOYSA-N 440.603 6.055 30 10 IKEE CCCCCOc1ccccc1/C=N/Nc1cnn(-c2cccc(Cl)c2)c(=O)c1Cl 1873526809 XLKLQESFRXBNRZ-AFUMVMLFSA-N 445.350 5.554 30 10 IKEE CCCSc1nnc(CCc2ccc(OC)cc2)n1/N=C/c1ccc(Cl)cc1Cl 1874307908 VYFGFRYECAJGEP-ZVHZXABRSA-N 449.407 5.763 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2ccc(F)cc2F)cc1C 1874358405 GEVVBVILRAIPAO-RWPZCVJISA-N 448.542 5.938 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3cccc(F)c3)nnc2[C@@H](C)c2ccccc2)c1 1874393955 XOWAHOFCFPNRIR-FQNOVECQSA-N 430.552 6.052 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1cccs1 1874398579 BHJPOMPGCQVETK-HUSFYUSLSA-N 439.009 6.319 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2cccc3ccccc23)nnc1[C@@H]1CCCO1 1874450025 RQACLNYWXQJRSX-LRULAXNGSA-N 444.560 5.466 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2cccc(C)c2)nnc1C1CCCC1 1874454661 STRDXPSHGAFWKB-YZSQISJMSA-N 432.593 5.983 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CCCC2)cc1 1874456590 XWYDVVBAZXHYJN-WPWMEQJKSA-N 426.589 6.572 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccco3)n2/N=C/c2ccc(Cl)c(Cl)c2)cc1 1874463958 KGBZLZMFDUFVNO-WYMPLXKRSA-N 443.359 6.328 30 10 IKEE COCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccccc1C 1874474110 NDRPQEIZKUETQL-FSJBWODESA-N 435.380 5.257 30 10 IKEE CCCOc1c(/C=N/n2c(SCc3ccccc3)nnc2C(C)(C)C)cccc1OC 1874482181 YCKKVXYCHSQINJ-PCLIKHOPSA-N 438.597 5.548 30 10 IKEE C=CCSc1nnc(C(C)(C)C)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874484888 SRPOMZNEPXMCRU-MFKUBSTISA-N 441.000 5.968 30 10 IKEE CC(C)Cc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(F)cc1F 1874492065 XFGOYEKISCGEEO-KIBLKLHPSA-N 438.906 5.722 30 10 IKEE C=C(C)CSc1nnc(CC)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874527134 XVDPFKTXDYELBQ-ZMOGYAJESA-N 426.973 5.623 30 10 IKEE CCSc1nncn1/N=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1874537806 XZYPWXRBGXEDFT-JVWAILMASA-N 444.560 5.430 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 1874575316 GXHDXVBXTMBBAO-UXBLZVDNSA-N 428.271 6.377 30 10 IKEE Cc1ccc(COc2ccc3ccccc3c2/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1 1874582028 SEQSTMVWTQZVLX-VHEBQXMUSA-N 434.579 7.921 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c1OCc1ccc(C)cc1 1874582818 ILXWPWZSICFLRB-NTCAYCPXSA-N 448.990 7.430 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(C)c(C)c2)c1 1874588186 VKDPXAGBTPGIFO-PKNBQFBNSA-N 433.935 6.179 30 10 IKEE CCCN(CCC)C(=O)COc1cccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c1 1874592896 IGYBZUZDQHWZPE-QGOAFFKASA-N 441.571 6.277 30 10 IKEE CCOc1c(OC)ccc(/C=C/C(=O)c2cccc(Br)c2)c1Br 1874595047 QVUPSTWHPDDYEZ-VQHVLOKHSA-N 440.131 5.515 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OCC(=O)Nc1ccc(C)cc1C 1874596531 YDXGCHGTQSVFKV-FMIVXFBMSA-N 443.543 5.842 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)cc1 1874604885 KAJNWWITMBRXHC-XYOKQWHBSA-N 439.324 6.626 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1 1874614669 NFOGSYZEYFFTJK-OUKQBFOZSA-N 437.333 6.241 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc([N+](=O)[O-])c1OCC 1874626051 JSTKBBJBGFFWHP-PKNBQFBNSA-N 427.497 5.594 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)ccc1OCc1ccccc1 1874634792 UHFSLABGALDKBS-ZRDIBKRKSA-N 436.935 6.531 30 10 IKEE CC(C)COC(=O)COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1Cl 1874637777 QWWGAHFULIOQAO-XVNBXDOJSA-N 441.738 6.121 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1OC(=O)Cc1cc(C)ccc1C 1874703944 OTHYMMVFMNBTNW-PKNBQFBNSA-N 444.527 5.673 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3cccs3)c2)c(OCC)c1 1874714668 IQOOLEDHJYRBPA-JLHYYAGUSA-N 436.529 5.590 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cccc(OC(=O)Cc2cc(C)ccc2C)c1 1874715119 DTRHBVOEALCXIO-ZHACJKMWSA-N 448.946 6.318 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc(Cl)c1OC(=O)CC(C)C 1875099762 XPBNQUXWYJAMFT-VQHVLOKHSA-N 446.927 5.604 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(C)cc3C)cc2)cc1C 1875107166 DJAWFPVJSHOUHF-XYOKQWHBSA-N 430.500 5.501 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)c1ccccc1-c1ccccc1 1875128621 MAHGAPKMFPTRLZ-HTXNQAPBSA-N 448.518 6.868 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 1875136160 ADLDEIHBLWODDN-VZUCSPMQSA-N 441.310 6.426 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)c1cc(C)cc(C)c1 1875158746 KXGJTIPYEPVHKN-KPKJPENVSA-N 444.502 6.295 30 10 IKEE O=C(COc1ccc(Cl)cc1)Oc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1 1875161857 KRVSKRUQPRJLPV-KGVSQERTSA-N 428.818 5.499 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Br)c1OC(=O)C1CC1 1875183641 LYPQGKVWPYLXRL-VMPITWQZSA-N 443.337 5.594 30 10 IKEE C=CCCCCSC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1882188973 OJNGCAZHEPHORU-JOCHJYFZSA-N 425.550 5.068 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCCC)c2c(C)sc(C)c2Br)C1 1892696157 XNGIQYHGSHSUTB-QGZVFWFLSA-N 443.451 5.782 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1cc(F)ccc1NC(=O)OC(C)(C)C 1922053378 BMJIMKGABMASMO-HSZRJFAPSA-N 428.548 5.986 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 1924921974 XVGKEYCICSIOTC-CJAUYULYSA-N 447.620 5.533 30 10 IKEE C=C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)([C@@H](CCCC)C(=O)O)C(C)(C)C 1927541184 WWZWXUVSOKSRGS-CUBQBAPOSA-N 449.591 6.387 30 10 IKEE C=C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)([C@H](CCCC)C(=O)O)C(C)(C)C 1927541190 WWZWXUVSOKSRGS-UFHPHHKVSA-N 449.591 6.387 30 10 IKEE C#CCC1(NC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)CCCC1 1984725291 FTIPMDORHABHAZ-RUZDIDTESA-N 444.575 5.002 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)C(F)(F)C1CCN(C(=O)OC(C)(C)C)CC1 2004731444 ACOVZVVOSFHWBI-NRFANRHFSA-N 438.559 5.020 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC[C@@]2(C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 2032050244 GFWIOWWWEFUMGL-NNPDTBDGSA-N 447.620 5.486 30 10 IKEE N#C[C@@H](CNc1cc(Br)c(Br)c(Br)c1)C1CCC1 2034334321 LPMDFASFGPJTSE-VIFPVBQESA-N 436.973 5.326 30 10 IKEE O=C(C=Cc1ccc(-c2ccccc2Br)o1)c1cccc(N2CCOCC2)c1 2040968011 VYPGZDFRJSHXOJ-UHFFFAOYSA-N 438.321 5.442 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)C1(C#N)[C@H]2CC[C@H]1CN(C(=O)OC(C)(C)C)C2 2042142507 WITSWIRAAKONQZ-OALUTQOASA-N 441.572 5.276 30 10 IKEE C=C(CO)[C@@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)C(=O)CC[C@@]34C)[C@H]12 2053578083 ZUBZPUNHXGLZSQ-BIRRXDFYSA-N 440.712 7.205 30 10 IKEE CCCc1ccc([C@H](n2nc(C3CC3)c(C#N)c2I)C(C)(C)C)cc1 2079844899 OOFFXNNIOWPIPX-IBGZPJMESA-N 447.364 5.825 30 10 IKEE N#Cc1c(C2CCCCC2)nn(Cc2ccc(Br)c(F)c2)c1Br 2080307590 WNYCXSCWKCTNHV-UHFFFAOYSA-N 441.142 5.515 30 10 IKEE Cc1nn(-c2ccccc2)c2c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)C2 2080385695 YCIKCYNHAIIRCV-DIVQNALZSA-N 435.483 5.695 30 10 IKEE C=CCCCCCCCCC[C@H](N)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2086280370 FVNLTXYAPKNDRT-DQEYMECFSA-N 445.692 6.036 30 10 IKEE C=CCN(CC[C@@H](NCC)c1c(F)cc(Br)cc1F)C(=O)OC(C)(C)C 2099294032 AEOHUMMXKYDSMW-MRXNPFEDSA-N 433.337 5.191 30 10 IKEE C=CCN(CC[C@H](Cc1c(F)ccc(Br)c1F)NCC)C(=O)OC(C)(C)C 2155521904 UIPYRYYALRRLHO-CQSZACIVSA-N 447.364 5.061 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H](Nc2ccc(C#N)cc2Br)Cc2ccccc21 2162387617 PJSASYNCQLPFGK-INIZCTEOSA-N 428.330 5.099 30 10 IKEE CC(C)(C)OC(=O)NCc1cccc(CNc2cc(Br)cc(F)c2C#N)c1 2163694686 ZGNBPAQFUWDPKA-UHFFFAOYSA-N 434.309 5.097 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCCC)c2cccc(OC)c2Br)C1 2207379729 RUBIDUYKWRNYGO-GOSISDBHSA-N 439.394 5.112 30 10 IKEE C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2247818494 XPUWYTIHVQRUCZ-HNNXBMFYSA-N 445.821 5.142 30 10 IKEE N#Cc1cccc(Br)c1Oc1cc(I)ccc1Cl 2259928460 LDDVFGHQRYFKFZ-UHFFFAOYSA-N 434.458 5.371 30 10 IKEE C=C(COCc1ccccc1)[C@@]1(OCC(=O)O)CCC(C)(C)C[C@@H]1OCc1ccccc1 2261826635 COZIKOMHEIBIDU-IGKIAQTJSA-N 438.564 5.395 30 10 IKEE C=CCCC1(C(=O)c2c(Cl)ccc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2266226678 KWVZUXVGEVUMOA-UHFFFAOYSA-N 446.744 5.628 30 10 IKEE CN(Cc1ccc(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)cc1)C(=O)OC(C)(C)C 2266997377 UGCFKJWVDOLSKQ-UHFFFAOYSA-N 444.381 5.009 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N(Cc1ccccc1)[C@@H](C)C(C)(C)C 2267242564 UNFUNJVNZYJNRG-FQEVSTJZSA-N 435.417 5.371 30 10 IKEE C=C(C)CCCC[C@@H](NCC)[C@@H](O)c1cc(Br)c(Br)s1 2287388371 RGFCSQQXHOXVGO-TZMCWYRMSA-N 425.230 5.421 30 10 IKEE C[C@@]12CC[C@]3(C)[C@](C)(CC[C@@]4(C)C(=O)C(=Cc5cccnc5)C[C@@]43C)[C@@]1(C)CC[C@H](O)C2 2294712159 KJQCPCBMQUPVPN-QMCKIYJWSA-N 435.652 6.608 30 10 IKEE CN[C@H](C#Cc1cccc(Br)c1)c1cccc(NC(=O)OC(C)(C)C)c1C 2296217141 RCUSMSJVCFSWPD-HXUWFJFHSA-N 429.358 5.417 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc3C2=O)cc1OC 2296865680 BKKUNXIMIZBHFR-UHFFFAOYSA-N 436.847 5.193 30 10 IKEE CCCSc1nnc(C2CC2)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2320867894 MIFVMDJOWHKBBG-UHFFFAOYSA-N 426.973 5.772 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1cccc(Cl)c1)O3)CN(CCc1ccccc1)CO2 2321936788 AGQKEIBIDFWJQX-UHFFFAOYSA-N 431.919 5.659 30 10 IKEE COc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2cccs2)C4)c(OC)c1 2321968207 SJESSWSRHPUQGC-UHFFFAOYSA-N 449.528 5.042 30 10 IKEE Sc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1ccc(Cl)c(Cl)c1 2322260118 BJGIGFDLSTUIBQ-UHFFFAOYSA-N 448.162 5.642 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(Cl)c(Cl)c1)C3=O)CN(C1CCCC1)CO2 2322328493 AJMBQFMIKPBXML-UHFFFAOYSA-N 430.331 6.013 30 10 IKEE CCc1ccc(NC(=O)COc2ccccc2C=CC(=O)c2ccc(OC)c(OC)c2)cc1 2322346777 CWLFWKRVMKVRRB-UHFFFAOYSA-N 445.515 5.180 30 10 IKEE CCc1ccc(NC(=O)COc2ccccc2C=CC(=O)c2cc(C)ccc2OC)cc1 2322638144 CHJAKZOPQOHSMW-UHFFFAOYSA-N 429.516 5.480 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3cc(OC(=O)c4cccc(Cl)c4)ccc3C2=O)cc1 2322906397 MIOFBSOHIQCVTM-UHFFFAOYSA-N 432.903 6.473 30 10 IKEE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Oc1ccc2c(c1)OC(=Cc1ccco1)C2=O 2322949040 TVORDSKNNZNTQA-GFCCVEGCSA-N 445.254 5.576 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OC(=O)C=Cc4ccc(C)cc4)c3C)C2=O)c1 2323063385 QNVJPCWVIKPQKF-UHFFFAOYSA-N 426.468 5.547 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OCC(=O)N[C@@H](C)c1ccccc1 2323153165 DYCQIDMMXMFFBJ-FQEVSTJZSA-N 429.516 5.156 30 10 IKEE Cc1cc(OC(=O)C=Cc2ccco2)cc2c1C(=O)C(=Cc1ccc(-c3ccccc3)cc1)O2 2323168925 NWESTBHUUIAARM-UHFFFAOYSA-N 448.474 6.490 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2cccc(OCC(=O)Nc3ccc(F)cc3)c2)c1C 2323259601 FOSPTGMQXGWVDK-UHFFFAOYSA-N 431.507 5.973 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc([N+](=O)[O-])c(C)c4)c3C)C2=O)cc1 2323280125 SIWTUKGFKAZZSH-UHFFFAOYSA-N 443.455 5.609 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2C)OC(=CC=Cc2ccccc2)C3=O)cc1[N+](=O)[O-] 2323335784 JGOGTAQGVOVJLS-UHFFFAOYSA-N 441.439 5.603 30 10 IKEE COc1ccccc1C=C1Oc2cc(OC(=O)c3cccc4ccccc34)cc(C)c2C1=O 2323480051 BDJRSKRQOPKBMR-UHFFFAOYSA-N 436.463 5.992 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1 2323831863 MITDFRGTZFHBSH-UHFFFAOYSA-N 437.879 6.122 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)cc3C)c(Cl)c2)cc1 2323896862 IPDPWCPKLCIYSV-UHFFFAOYSA-N 433.935 6.179 30 10 IKEE COc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)c(OC)c1 2324352124 LHFZUXVLOHEOJE-JOCHJYFZSA-N 440.524 5.870 30 10 IKEE Cc1ccc(OCCOc2ccc3c(c2)OC(=Cc2ccc(Cl)c(Cl)c2)C3=O)cc1 2324537417 PAGCYOKXANQXON-UHFFFAOYSA-N 441.310 6.376 30 10 IKEE Cc1cccc(OCCCOc2ccc3c(c2C)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)c1 2324567734 SSMZEDYQDAAIBL-UHFFFAOYSA-N 445.471 5.676 30 10 IKEE COc1ccc(C)cc1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccccc1C)C2=O 2325119104 AMSHXDCRLITWNZ-UHFFFAOYSA-N 443.499 5.254 30 10 IKEE N#Cc1ccccc1COc1ccc2c(c1)OC(=Cc1ccccc1Br)C2=O 2325351543 GKKIBYFTAWEQNK-UHFFFAOYSA-N 432.273 5.516 30 10 IKEE COc1cc(OC)c(OC)cc1C=C1Oc2cc(OCCc3ccc(C)cc3)ccc2C1=O 2325367081 HVSMOYAKAJKAPH-UHFFFAOYSA-N 446.499 5.259 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2Cl)cc1OC(=O)COCc1ccccc1 2325717183 KOVLVLNLIDASJC-UHFFFAOYSA-N 436.891 5.367 30 10 IKEE Cc1c(OCC(=O)Nc2ccccc2C(C)C)ccc2c1OC(=Cc1ccccc1)C2=O 2325726440 UORIMPPGQRYPBF-UHFFFAOYSA-N 427.500 5.752 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(C(F)(F)F)cc3)c2)cc1 2325735040 XWHUFUDKZZHZBS-UHFFFAOYSA-N 440.417 6.219 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(F)c(F)c3F)c2)cc1 2325739459 WDHJVGDPXQTVPX-UHFFFAOYSA-N 440.417 6.008 30 10 IKEE COc1ccc(C(=O)Oc2cc(C=CC(=O)c3cc(C)ccc3C)ccc2OC)cc1OC 2325739814 BOPLAMLIUFNMGD-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccccc3[N+](=O)[O-])c2)cc1 2325746305 KTYCDEKPEFTDFJ-UHFFFAOYSA-N 443.499 5.937 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)C34CC5CC(CC(C5)C3)C4)c2)c(C)c1C 2325755715 LMQGIVNFHQYROH-UHFFFAOYSA-N 444.571 6.330 30 10 IKEE C=CCSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1cccc(C)c1 2325952229 BISBEVGOLULZTR-UHFFFAOYSA-N 427.371 5.100 30 10 IKEE C=C(C)CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccc(F)cc1 2326130522 XKWUAXHWPAMXHF-UHFFFAOYSA-N 444.963 5.817 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(OC(C)(C)C)cc1 2326252206 NLIYNECNWDARER-UHFFFAOYSA-N 440.588 6.112 30 10 IKEE Cc1cccc(C=Nn2c(Cc3ccccc3)nnc2SCc2cc(C)cc(C)c2)c1 2326421494 MBJIYPWPFVYTHU-UHFFFAOYSA-N 426.589 5.969 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1ccc(OC)c(OC)c1 2326458391 NYDGZHFWAXVQTN-UHFFFAOYSA-N 438.597 5.429 30 10 IKEE Cc1ccccc1C=Nn1c(Cc2ccccc2[N+](=O)[O-])nnc1SCc1ccccc1 2328484370 HZMQYIJGOKHNOV-UHFFFAOYSA-N 443.532 5.260 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCCc2ccccc2)n1N=Cc1ccc[nH]1 2328558465 AFUFENIOVSHTOE-UHFFFAOYSA-N 431.565 5.019 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1c(F)cccc1Cl 2329101067 BPXOYMXXPRQBOG-UHFFFAOYSA-N 435.355 5.865 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)ccc1OC(=O)c1ccc(F)cc1F 2330795179 PERZHRBHSXHKCM-UHFFFAOYSA-N 438.426 5.487 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccncc2)c(Cl)c1)c1ccc(Br)cc1 2330887107 BXVWSPCMJINWIL-UHFFFAOYSA-N 442.696 5.613 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(C2CCCC2)n1N=Cc1ccc(C)cc1 2331030871 GOMVSRWLTRAQQF-UHFFFAOYSA-N 447.608 5.420 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)c3cccc4ccccc34)c(Cl)c2)ccc1F 2331337084 XEAARKGLHNITOM-UHFFFAOYSA-N 444.889 7.056 30 10 IKEE CCOc1cc(C=Nn2c(CC(C)C)nnc2SCc2cccc(Cl)c2)ccc1O 2331470985 BSDPMJSRQCEVKN-UHFFFAOYSA-N 444.988 5.409 30 10 IKEE Oc1ccccc1C=Nn1c(SCc2ccc(Cl)c(Cl)c2)nnc1C1CCC1 2331541869 JMPMZXJPNKZZAT-UHFFFAOYSA-N 433.364 5.733 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OC(=O)c1ccco1 2331552512 QKMCBOFCWJUQTK-UHFFFAOYSA-N 434.488 5.710 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)Cc1ccccc1 2331657433 IGIDKYXADBTPMJ-UHFFFAOYSA-N 428.528 5.973 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)cc3)cc2)c1 2331673748 BDALXBOMNORWLE-UHFFFAOYSA-N 430.500 5.908 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SCCc3ccccc3)nnc2C(C)C)cc1 2331703265 PAAQDIAEYLCPGK-UHFFFAOYSA-N 436.625 6.188 30 10 IKEE O=C(Cc1ccccc1F)Oc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1 2331859246 XPDGWOBKRAYXNA-UHFFFAOYSA-N 429.274 6.177 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1Cl)c1ccccc1 2331860061 SXWXGZZYPFNPNQ-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2cc(Br)c(C#N)cc2F)C[C@@H]2CCC[C@@H]21 2360229998 OEWXZVCPZWWYPD-YEWDVWPNSA-N 438.341 5.050 30 10 IKEE N#C[C@@H](C(=O)c1cc(Br)c(Br)s1)c1ccc(Cl)c(F)c1 2362143061 LKKQKNLUIHUOBW-SSDOTTSWSA-N 437.515 5.556 30 10 IKEE CCCCCCCC[C@@H](N)c1c(Cl)cc(Br)c(F)c1Br 2362239570 VTHLZJVSYDLBOO-GFCCVEGCSA-N 429.599 6.755 30 10 IKEE OCCC#Cc1ccc(CN(CCC(F)(F)F)Cc2ccccc2)cc1Br 2377349589 HGIUJRKDYCBGBL-UHFFFAOYSA-N 440.303 5.138 30 10 IKEE C=CCn1c(SCc2c(F)cccc2Cl)nc2scc(-c3ccccc3)c2c1=O 9041639 OUBINVWPFYJUSX-UHFFFAOYSA-N 442.968 6.396 30 10 IKEE Cc1ccc(/C=N/c2cccc(C3=NN(c4ccccc4)[C@@H](c4ccc(F)cc4)C3)c2)cc1 15773291 UWRBXVNLCNZBKJ-NQFKHPPRSA-N 433.530 7.240 30 10 IKEE Cc1ccccc1CSc1nc2n(n1)[C@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)N2 20850910 SFTHVDONBHUYLR-JOCHJYFZSA-N 430.577 5.537 30 10 IKEE CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(C(F)(F)F)cc2)cc1 21245557 MGQPRNGSQLABSM-YLJYHZDGSA-N 441.493 6.007 30 10 IKEE COc1cc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(C(C)C)cc2)ccc1OC(C)C 21254421 KYVRNIALWGUMDM-FCHUYYIVSA-N 447.575 5.610 30 10 IKEE COc1ccc(OC)c([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)c1 21258326 QCTYFKJCYALZPA-HMILPKGGSA-N 440.543 5.992 30 10 IKEE c1ccc(/N=C2\OC3(c4ccccc4-c4ccccc43)C2(c2ccccc2)c2ccccc2)cc1 32286817 HSDIYKJILMDNGT-NMSHJFGGSA-N 449.553 7.657 30 10 IKEE CCn1nc(C)c(CCN/C(=N\C(=O)c2ccc(C)c(F)c2)Nc2cc(C)cc(C)c2)c1C 32973378 JWAYPNPBRZGKML-UHFFFAOYSA-N 449.574 5.025 30 10 IKEE C=CCN(Cc1cccn1Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COCc1ccccc1 35840738 VVMHVMOLPOLZEE-MUUNZHRXSA-N 446.635 5.400 30 10 IKEE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\Oc3ccc(C)cc3C2=O)cc1 39842443 AFFWYDQGHHENCU-ONUIUJJFSA-N 434.495 6.029 30 10 IKEE COc1ccc(CCn2c(O)c(/N=N/c3c(C)cccc3C)c(C)c(C#N)c2=O)cc1OC 39871567 PYDWGGJDFWXIMT-BYYHNAKLSA-N 446.507 5.026 30 10 IKEE CN(C)[C@H](CNc1oc(-c2ccccc2[N+](=O)[O-])nc1C#N)c1ccc(C(C)(C)C)cc1 40374095 HDFBBWFEHVYCGV-OAQYLSRUSA-N 433.512 5.134 30 10 IKEE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/Nc2ccccc2)CCC3)cc1 40824197 LQBAYKFZWHIGHA-VFCFBJKWSA-N 431.492 5.170 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(C(C)C)cc1)C3=O)CN([C@H](C)c1ccccc1)CO2 41587216 QAILXZDWGLSQEF-QVISHHADSA-N 439.555 6.648 30 10 IKEE C=C(C)COc1ccc(NCC(=O)Nc2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)cc1 66062284 OGOIOCUOYHVFEW-HXUWFJFHSA-N 443.547 5.183 30 10 IKEE CCCCCCCC(=O)NC(=S)Nc1ccccc1C(=O)Nc1ccc(C)c(C)c1 100170798 IWVVZESGUZSBEP-UHFFFAOYSA-N 425.598 5.729 30 10 IKEE Cc1cccc(NC(=O)C[C@@H]2S/C(=N/c3ccccc3)N(CCc3ccccc3)C2=O)c1 101656055 DBYDZGCAIPUUFW-GYRUEZOASA-N 443.572 5.198 30 10 IKEE CCCCCCCCCC(=O)N(CCC)CC(=O)N(Cc1ccccc1)Cc1ccco1 102997669 XQNPDQUBRQXZFV-UHFFFAOYSA-N 440.628 6.188 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2cccc(C)c2)cc1 169968820 CKFUYOYMWULREW-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc(C)c1 169970609 SIOUISNVFVRLPI-SANMLTNESA-N 449.506 5.940 30 10 IKEE CN(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C2CCCC2)cc1 170129894 QIHNHRCJEBDEKQ-VWLOTQADSA-N 444.575 5.152 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2cccc(C)c2)cc1Cl 170141291 MUWZDCJEOPSPLR-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccccc1 170222828 HHXNPSYVMJNGMM-XMMPIXPASA-N 443.518 6.215 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2ccccc2)c1 170223867 SJAATCYERJUKHY-VWLOTQADSA-N 439.511 5.411 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@H]1c1ccccc1 170232924 SBEWJAGZGFICBO-XMMPIXPASA-N 435.564 5.896 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2F)c1 170253448 ZJWBDLJQJNBPAE-OAQYLSRUSA-N 443.902 5.399 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc(O)c2)c1 170261759 JYMLKHPRGRZEPL-HSZRJFAPSA-N 435.520 5.090 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2Cc2ccco2)cc1 170266235 CDXLNHQZJJBLEF-XMMPIXPASA-N 445.515 5.408 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@H]1c1ccc(CC)cc1 170267805 LBEMHTZIMPAXFS-OAQYLSRUSA-N 441.955 5.598 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(CC)cc2)cc1 170268629 AADUVOXGKACOQS-XMMPIXPASA-N 433.548 5.559 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2C)cc1C 170271259 CTFCQIJKJDMHIC-DEOSSOPVSA-N 445.490 5.624 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2ccco2)cc1 170290521 CVVAHHAFHXRZRY-NRFANRHFSA-N 439.414 5.128 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccco1 170293009 HIGBDIVSRIQDIM-QFIPXVFZSA-N 430.504 5.059 30 10 IKEE N#Cc1cc(Br)c(OCc2cc(Cl)ccc2Cl)c(Br)c1 247694799 YZSWHILAMADAIU-UHFFFAOYSA-N 435.930 5.969 30 10 IKEE C=CCn1c(SCCC(=O)Nc2ccccc2OC)nnc1-c1ccc2ccccc2c1 253572441 QECFCEPDHJGUGN-UHFFFAOYSA-N 444.560 5.414 30 10 IKEE CCCCCCCCOc1ccc(N=Cc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 254762823 AZHFWQVWYYJOCS-UHFFFAOYSA-N 439.556 5.921 30 10 IKEE C=C(COC(C)C)[C@@H](NCCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 407151051 HNFPXELTLYFHDB-LJQANCHMSA-N 441.410 5.818 30 10 IKEE CN(C1=C(Sc2ccc(Cl)cc2)C(=O)N(c2ccc(C#N)cc2)C1=O)c1ccccc1 526690211 UYTWKVOEACKGJK-UHFFFAOYSA-N 445.931 5.225 30 10 IKEE CCCOc1ccc(/C=N\n2c(C)nnc2SCc2cc(C)ccc2C)cc1OCC 526818748 YPDVNYIPIPUZDX-MYYYXRDXSA-N 438.597 5.565 30 10 IKEE Cc1ccc(CNC(=O)Nc2ccc(C(=O)Nc3scc(C(C)(C)C)c3C#N)cc2)cc1 586632705 JIZDWVFHYKWROG-UHFFFAOYSA-N 446.576 5.800 30 10 IKEE CC(C)C1CCC([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)CC1 698453179 DIPGRFXINYXTCE-LBXVMSDZSA-N 435.406 6.545 30 10 IKEE COc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)c(Br)c1 698849934 GBALUEPCKALKRP-SFHVURJKSA-N 435.293 5.603 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 698897684 ZLEJKVZEBTWMEV-UUOWRZLLSA-N 429.561 5.276 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1ccccc1C1CC1 710709230 RHRMVXNHPWUNFE-FQEVSTJZSA-N 427.342 6.333 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@H](C#N)c1cccc(Cl)c1Br 719683706 IBDXALIGHLQRDH-MRXNPFEDSA-N 439.712 6.248 30 10 IKEE O=C(NC1CCCCC1)c1c(N=Cc2ccc(Br)cc2)sc2c1CCCC2 725432845 AOQYQEGTHQVFPL-UHFFFAOYSA-N 445.426 6.203 30 10 IKEE CCCCCCCN1C(=O)C[C@@H](C(=O)Nc2ccccc2F)SC1=Nc1ccccc1 1083936827 IRKKPOBMKZYKAO-NRFANRHFSA-N 441.572 5.756 30 10 IKEE CCCCOc1ccc(/C=C2/S/C(=N/c3ccc(C)cc3O)N(C)C2=O)cc1OC 1614236948 DFOBXZMBFCASAB-IZSQXYTLSA-N 426.538 5.122 30 10 IKEE N#C[C@@H](c1ccc(Br)cc1F)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 1614720179 KPHQIZYDKYEQNU-VQIMIIECSA-N 431.305 5.244 30 10 IKEE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNc2oc(C)nc2C#N)cc1C 1772721985 RCISVOYFGKKUHP-UHFFFAOYSA-N 438.491 5.027 30 10 IKEE COc1ccc(C(=O)ON=C2CC(C)(C)Cc3c2cc(C)n3-c2ccc(C)c(C)c2)cc1 1772728450 NCJDRFDBTLRXHJ-UHFFFAOYSA-N 430.548 5.945 30 10 IKEE O=C1/C(=C/c2cccc(Br)c2)SC(=Nc2ccccn2)N1c1ccccc1 1772730904 FKETUZOXUNYQAB-ZUGBYVCQSA-N 436.334 5.653 30 10 IKEE CCN1C(=O)/C(=C\c2ccccc2OCc2ccc(C)cc2)SC1=Nc1cccc(C)n1 1772730999 ICIYVYJDHAEHDQ-HNXGTMCTSA-N 443.572 5.901 30 10 IKEE Cc1c(N=Nc2ccc(N=Nc3ccccc3)cc2)c(O)n(C[C@@H]2CCCO2)c(=O)c1C#N 1772741164 XINNYRWHYYAPRU-FQEVSTJZSA-N 442.479 5.744 30 10 IKEE N#Cc1ccccc1NC(=O)Oc1cccc2c(NC(=O)c3ccccc3F)cccc12 1858767601 JAHPVDGEWKBLRY-UHFFFAOYSA-N 425.419 5.714 30 10 IKEE N#Cc1cccc(NC(=O)Oc2cccc3c(NC(=O)c4cc5ccccc5[nH]4)cccc23)c1 1858780865 BUBQFAPFSFKQIR-UHFFFAOYSA-N 446.466 6.056 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc2nc(-c3cc(OC)ccc3OC)[nH]c2c1 1861876255 UKEIUJIMRPGKLH-UHFFFAOYSA-N 437.584 6.118 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(-c3ccccc3)cc2)n(-c2ccc(C)cc2)n1 1862378415 JNQVNYSYOZQHHM-UHFFFAOYSA-N 433.555 6.329 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2cccc(F)c2)cc1C 1862402460 YYAOMKBYMDCFHD-BXKMTCNYSA-N 445.490 5.482 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2cccc3ccccc23)cc1C 1862404393 CJCRIBUCZUXSCX-XMMPIXPASA-N 429.516 5.391 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1 1862442301 QXHYWKDKUOUOAG-QFIPXVFZSA-N 425.956 6.279 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccccc1 1862456202 MSYHJHRPOXEXFP-FPTDNZKUSA-N 437.417 5.443 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@H]2c2ccccc2C)cc1 1862475367 KCFXXTFVTFRVPX-QHCPKHFHSA-N 431.919 5.735 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2ccccc2)ccc1F 1862500333 CGGLSTZWXLRTBD-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)ccc1F 1862505700 RHPVOBAWQGANMF-QHCPKHFHSA-N 437.555 6.056 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)c1 1862543205 AOUZWEJLKWMKHS-VFHOHQAYSA-N 443.587 6.031 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1ccc(C(C)C)cc1 1862572552 ITFWIJUGYRYHFZ-HJPURHCSSA-N 437.536 5.204 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(O)c1 1862580038 CEMPMKGFZZNRSP-IBGZPJMESA-N 434.319 5.323 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(C(C)(C)C)cc2)=C(O)C(=O)N1CCCOC(C)C 1862613431 HZJKHNAZFHAFSD-XMMPIXPASA-N 449.591 5.686 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@H]1c1cccc(F)c1)c1ccc2c(c1)OCO2 1862626813 GGYMMLNYLGUOTO-QHCPKHFHSA-N 449.478 5.023 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2cccc(F)c2)cc1F 1862637855 NUUMCDNBCGOIIO-BPSNYSSFSA-N 441.474 5.130 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(Cl)cc1Cl 1862658551 RFQHMNVGOVTGCU-OAQYLSRUSA-N 440.326 6.133 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCCOC(C)C)cc1 1862663232 PQPTWPQORAYFDO-RUZDIDTESA-N 449.591 5.766 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1c(F)cccc1Cl 1862666871 NTKXQCDFKSTTCQ-SZNDQCEHSA-N 429.919 5.979 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc3cc[nH]c3c2)c1 1862701632 JTZSPVPSFYSESO-HSZRJFAPSA-N 430.504 5.088 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(CC)cc1 1862716027 WMTVPXJWXDAGKX-SANMLTNESA-N 441.571 6.561 30 10 IKEE N#Cc1ccc(N2C(=O)C(Nc3ccccc3Cl)=C(c3ccccc3Cl)C2=O)cc1 1863077494 PVVGCRJQNJMICE-UHFFFAOYSA-N 434.282 5.262 30 10 IKEE CC(C)(C)c1ccccc1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2cccs2)C1=O 1863117640 JXNWVFVZCLCXER-UHFFFAOYSA-N 427.529 5.314 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCN(C)C)=C(c2cccc3ccccc23)C1=O 1863583428 YNHFLKWQELRDQR-UHFFFAOYSA-N 449.639 5.212 30 10 IKEE CCCCCCCCNC1=C(c2ccc(C)cc2)C(=O)N([C@H](C)c2ccc(OC)cc2)C1=O 1863628698 XBVPXIFZTDEWQA-OAQYLSRUSA-N 448.607 5.795 30 10 IKEE N#C[C@@H](c1cccs1)N1CCC(C(=O)Nc2ccccc2Sc2ccccc2)CC1 1868171248 AHRMWGAGZRUYKC-NRFANRHFSA-N 433.602 5.815 30 10 IKEE CCc1ccc([C@H]2CN(c3cc(Nc4cccc(C#N)c4)nc(C(C)C)n3)CCO2)cc1 1868221302 ITZFRZZLYOEEQK-HSZRJFAPSA-N 427.552 5.356 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)cc2Cl)c(=O)cc1CN(C)Cc1ccccc1 1870346289 IBYOEDQEKBFJFW-UHFFFAOYSA-N 443.374 5.552 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(C)cc2)c(CN(CCC)CCCC)cc1=O 1870417007 ZNBPAQFWYRCOKS-UHFFFAOYSA-N 440.672 6.566 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(C(C)C)cc2)cn1Cc1ccncc1 1870472164 LJZKMPMUDWUVDT-UHFFFAOYSA-N 443.591 5.168 30 10 IKEE C=CCn1cc(OCc2c(C)cc(C)cc2C)c(=O)cc1CNc1cccc(Cl)c1C 1870803003 UVRZOERMUSTPON-UHFFFAOYSA-N 436.983 6.112 30 10 IKEE C=CCOc1cn(Cc2ccccc2Cl)c(CNc2ccc(N3CCCC3)cc2)cc1=O 1870810214 RPMVVBRKVSFJDJ-UHFFFAOYSA-N 449.982 5.327 30 10 IKEE C=CCn1cc(OCc2cccc(F)c2)c(=O)cc1CNc1ccc(N(CC)CC)cc1C 1871062656 JTTUFPUGTZUWNJ-UHFFFAOYSA-N 449.570 5.519 30 10 IKEE CC(C)CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc2cc[nH]c2c1 1871252119 LKFMVLHZBCNZPN-UHFFFAOYSA-N 440.547 5.438 30 10 IKEE O=C1/C(=C/C=C/c2ccccc2)Oc2c1ccc1c2CN(C23CC4CC(CC(C4)C2)C3)CO1 1871353816 XOXNPNIDVNYZID-MDFIXUERSA-N 439.555 5.980 30 10 IKEE COc1ccc(OC)c(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2)C3=O)c1 1871380490 QMEOAVYZAXAERO-CVOOIXSUSA-N 442.467 5.247 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccccn1)C2=O 1871383867 XDFFRFXQVZRAEW-ZDLGFXPLSA-N 442.254 5.232 30 10 IKEE CCOc1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccco2)C3=O)cc1OC 1871384368 XXMVOBMRXYUAMN-XGKZJJNESA-N 446.455 5.230 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(C)c(Cl)c1)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1871790106 QBMKBIZWANOZCW-JOCHJYFZSA-N 449.016 5.105 30 10 IKEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 1871795091 UKKZJSXDJFQEFP-QFIPXVFZSA-N 449.016 5.187 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(CC)cc1)c1ccccc1)S(=O)(=O)c1ccccc1 1872090189 HRFHZSQFYJMHTH-VWLOTQADSA-N 448.588 5.196 30 10 IKEE CCOc1ccc(-c2nc(C3=C(N)N(c4ccc(OC(C)C)cc4)CC3=O)sc2C)cc1 1872726116 KTUXTVUPMYFZBR-UHFFFAOYSA-N 449.576 5.021 30 10 IKEE N#C[C@H](C(=O)c1c(F)cccc1Cl)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872762164 FDISOBKSHKWTLP-LLVKDONJSA-N 425.699 6.399 30 10 IKEE CCOc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 1872765727 VTVGPBJQSREWOY-GOSISDBHSA-N 441.350 5.390 30 10 IKEE Cc1cc(C)c(-c2csc([C@@H](C#N)C(=O)Cc3cc(Cl)ccc3Cl)n2)c(C)c1 1872785894 BNBHQVRMBSJTSW-KRWDZBQOSA-N 429.372 6.461 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)c2cccc(OC(C)=O)c2)n1 1872786305 HDWMQEUSMLHFFM-SFHVURJKSA-N 440.908 5.196 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(F)c(C)c3)n2)c2ccccc12 1872787225 DWBGJWKCQMPOJL-HXUWFJFHSA-N 430.504 5.838 30 10 IKEE Cc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)s3)cs2)c(C(C)(C)C)c1 1872789462 JSAKVSIUZPCRHK-AWEZNQCLSA-N 445.009 6.386 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccc(Cl)cc2)=C(c2ccccc2C)C1=O 1873101066 JPNAGMRALCERLB-UHFFFAOYSA-N 438.999 5.879 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(OC)cc2)=C(c2ccccc2C)C1=O 1873302790 IKLMZUBVPPHKSI-UHFFFAOYSA-N 448.607 6.336 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(OCCC)c2)=C(c2ccccc2C)C1=O 1873305513 IRKAAKSAVGXRKB-UHFFFAOYSA-N 448.607 6.336 30 10 IKEE C=CCN(CC=C)c1nc(Nc2ccccc2OC(C)C)c2cnn(-c3ccccc3)c2n1 1873481901 WRDOPQGEEGYIKL-UHFFFAOYSA-N 440.551 5.525 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)cc2)cc2c(NCc3cccc(C)c3)ncnc21 1873617485 RVOPOSHQPFNYCP-UHFFFAOYSA-N 431.927 5.444 30 10 IKEE CCSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(C(C)C)cc1 1874204534 HNAUWUXOYRMHQF-WYMPLXKRSA-N 449.407 6.282 30 10 IKEE CCCSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1cc(C)ccc1O 1874226496 OAVMBOABAMDMKM-PCLIKHOPSA-N 438.597 5.305 30 10 IKEE Cc1ccc(OCc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccccc2)c(C)c1 1874325868 MFFWMVSXIPHOFU-JFLMPSFJSA-N 446.551 5.788 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccncc2)cc1C 1874330495 VAIPTUNUQDEWEQ-LQKURTRISA-N 445.567 5.389 30 10 IKEE Cc1cccc(/C=N/n2c(COCc3ccccc3)nnc2SCc2ccccc2C)c1 1874352763 AEHLIFWGPSKFQX-JVWAILMASA-N 442.588 5.786 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccc(C)c(C)c3)n2/N=C/c2ccncc2)c1 1874358328 BJHMTWMTHAHIIS-LQKURTRISA-N 441.604 5.672 30 10 IKEE C=C(C)CSc1nnc(CCc2cccs2)n1/N=C/c1ccccc1OC(C)C 1874371898 XIOYICFGTNURBN-OEAKJJBVSA-N 426.611 5.462 30 10 IKEE CCSc1nnc(CC2CCCCC2)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874407214 KVVHBODVAHYBQG-NLRVBDNBSA-N 448.592 5.614 30 10 IKEE CCc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2Cl)cc1 1874418602 YGCDDPBERXKHQG-WPWMEQJKSA-N 447.007 6.259 30 10 IKEE C=C(C)CSc1nnc(CC(C)(C)C)n1/N=C/c1ccc(OCc2ccccc2C)cc1 1874438014 FJJWQGMLQBODEX-JVWAILMASA-N 448.636 6.305 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(F)cc1F 1874480974 OKUCTZJNTAPHQK-OPEKNORGSA-N 438.906 5.866 30 10 IKEE Cc1ccsc1/C=N/n1c(SCc2ccc(Cl)c(Cl)c2)nnc1C1CCC1 1874497658 UKUYQBNZVOPKRW-LSHDLFTRSA-N 437.421 6.397 30 10 IKEE C=C(C)CSc1nnc(CCC)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874507839 YAHWCAZAIBFMHT-AFUMVMLFSA-N 441.000 6.013 30 10 IKEE Cc1cccc(C)c1NC(=O)CSc1nnc(C2CC2)n1/N=C/c1cccc(Cl)c1 1874519463 ULNSPHQPLBFZAB-WYMPLXKRSA-N 439.972 5.039 30 10 IKEE CC(C)Oc1ccc(/C=N/n2c(S)nnc2COc2cc(Cl)ccc2Cl)cc1 1874569537 BEUHGGQJPGFITC-LSHDLFTRSA-N 437.352 5.122 30 10 IKEE CCN(CC)C(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(C(C)C)cc1 1874583520 RNTUBSYJVJBKRZ-WUKNDPDISA-N 429.560 6.107 30 10 IKEE C=C(C)COc1c(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc(Br)cc1OC 1874586167 YXFZJVGDLFQWPN-BQYQJAHWSA-N 445.353 5.934 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccccc1OCc1nc(O)c2ccccc2n1 1874592241 UIHZVWOTFOUUFB-ZRDIBKRKSA-N 446.890 5.473 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC)c2Br)c(OCC)c1 1874600298 FCHFMNXCWXRSSZ-XYOKQWHBSA-N 449.341 5.550 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Cl)c1OCc1cccc(F)c1 1874608755 FRUUUPLURHFZMG-ZHACJKMWSA-N 445.317 7.006 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)c1OCc1ccccc1C 1874617961 CHDYJDSFBHLMGR-OUKQBFOZSA-N 434.963 7.139 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCc3cc(C)ccc3C)cc2)cc1C(C)C 1874627471 LYWSYFUAGQXONZ-SDNWHVSQSA-N 428.572 7.219 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)cc1Cl 1874636337 WIHULNLGVQGNCG-UKTHLTGXSA-N 449.934 5.879 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)ccc1OCc1cccc(F)c1 1874639447 ZVBLYFXHYNDABQ-RMKNXTFCSA-N 426.871 5.971 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cc4ccccc4n3C)c2)cc1 1874694877 YWMWVOCVXRVWRB-RVDMUPIBSA-N 439.511 5.865 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(Cl)cc3Cl)c2)cc1C 1874696141 KNSFUDLPOJEWJE-UXBLZVDNSA-N 441.310 6.426 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OC(=O)c1cccc2ccccc12 1874703746 FQZKDRYTFMKBIA-GXDHUFHOSA-N 440.470 6.411 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc1OC(=O)c1ccco1 1874708397 AWQRITFBNSPHEW-DHZHZOJOSA-N 434.488 5.710 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OC(=O)CCc1ccc(Cl)cc1 1874710371 YRIAGLDGOZOTKZ-YIXHJXPBSA-N 438.882 5.922 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc(C)c(C)c3)c2)c1 1874712581 YOOZNAWSZPIJCE-SDNWHVSQSA-N 444.527 6.216 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](C(C)(C)C)CSc2nnc(Cc3ccccc3F)n21 1874990516 RZPPLRVMKGEAMF-HXUWFJFHSA-N 446.636 5.744 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OC(=O)CCOc1ccccc1 1875115082 LOKYDYRRTQVYGP-OQLLNIDSSA-N 446.499 5.365 30 10 IKEE CC(C)(C)CC(=O)Oc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1Br 1875118104 RJQCUYPESJIEGI-ONNFQVAWSA-N 446.297 5.595 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(Cl)c1OC(=O)c1cnccn1 1875153900 DFJZLOYTVIBRMH-MDZDMXLPSA-N 444.874 5.407 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OC(=O)c1cncc(C)c1 1875154603 MZDQZCRJDMRFGH-ACCUITESSA-N 437.495 6.057 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1ccc(F)cc1F 1875156823 JZFUOKLPOFOXGL-UUILKARUSA-N 436.454 6.212 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1)c1ccc(F)cc1 1875157618 GHHRXYAWKOSDHS-LZWSPWQCSA-N 425.253 5.704 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OC(=O)CCOc1ccccc1 1875163713 YRXFGJNIRQKMJY-YRNVUSSQSA-N 438.426 5.244 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2)cc1C 1875176116 XEGZFNDNKFZUMI-IZZDOVSWSA-N 440.495 5.565 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)c1ccc(C)cc1 1875185127 IBEGHLKNUDSAJE-XNTDXEJSSA-N 442.555 6.725 30 10 IKEE CC#CCCC[C@@H](NC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1879648079 STODCKGROXMRBD-GGXMVOPNSA-N 443.587 5.660 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)[C@@H]1C(C)(C)C 1880431052 YTQZMTYJGQOTIS-UQBPGWFLSA-N 443.588 5.351 30 10 IKEE C=C(C)CN(Cc1ccccc1)c1ncc(I)cc1Br 1882958770 PHXXVXRUUZGYGL-UHFFFAOYSA-N 443.126 5.031 30 10 IKEE C=CCCSC(C)(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1883382968 CHNSCSLAJGCDLK-OAQYLSRUSA-N 425.550 5.066 30 10 IKEE N#Cc1cc(F)c(Cl)cc1NCCNC(=O)OCC1c2ccccc2-c2ccccc21 1886294568 UAEVKXZAZABIHM-UHFFFAOYSA-N 435.886 5.301 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1CCC(C)(C)CN1C(=O)OC(C)(C)C 1922069106 NXYBHNCHQRTDEK-DHIUTWEWSA-N 430.633 5.553 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@]1(C#N)C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 1931346493 GISKZUKAJSRAAU-SUOOXSEHSA-N 431.580 5.513 30 10 IKEE C[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1938770698 GVNQGUFEWGMDKZ-NYHFZMIOSA-N 435.952 5.373 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2020299115 HECDECXCBBKPOJ-HOYKHHGWSA-N 429.561 5.357 30 10 IKEE CCCCCCCCN=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 2053612472 IDWFOMRWRJQNSK-SSEXGKCCSA-N 437.631 7.822 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1C(C)(C)[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2055761810 BTDICYBTJOTXCL-RRQZXNHTSA-N 441.572 5.356 30 10 IKEE CC(C)(C)[C@H](c1ccc(C2CC2)cc1)n1nc(C(F)(F)F)c(/C=N/O)c1Br 2079081086 QMCAEKNLMFPFHI-CRUCUMJDSA-N 444.295 5.985 30 10 IKEE CCCc1ccc([C@H](C(C)C)n2nc(C3CC3)c(C#N)c2I)cc1 2079857024 XKMJKQLRXWSSQL-IBGZPJMESA-N 433.337 5.435 30 10 IKEE COc1ccc([C@@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C(C)(C)C)c(C)c1 2079926027 VVKKMLLMSUNFPX-GOSISDBHSA-N 434.378 5.458 30 10 IKEE CC(C)[C@H](c1ccc(C(F)(F)F)cc1F)n1nc(C2(C)CC2)c(C#N)c1Br 2079937185 UYAXGANCAVIGGM-OAHLLOKOSA-N 444.270 5.972 30 10 IKEE Cc1cc(C)c([C@@H](C2CCC2)n2nc(C3CC3)c(C#N)c2I)c(C)c1 2079998967 FBNNONYLJYUDIL-HXUWFJFHSA-N 445.348 5.552 30 10 IKEE Cc1cc(C)c([C@H](C2CC2)n2nc(C3CC3)c(C=NO)c2I)c(C)c1 2080012655 RWVNFBFYNYJRJA-IBGZPJMESA-N 449.336 5.098 30 10 IKEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN(Cc1ccccc1)[C@@H](C)C(C)(C)C 2095898903 WVNWIEPTFNWHJK-FQEVSTJZSA-N 437.433 5.431 30 10 IKEE C=CCN(CC[C@@H](Cc1cccc(Br)c1C)NCC)C(=O)OC(C)(C)C 2099291769 BIYUGJCIXILHPB-SFHVURJKSA-N 425.411 5.091 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1CN(c1cccc(Br)c1C#N)C1CC1 2174811103 UHBAZSUNOACXRK-INIZCTEOSA-N 434.378 5.079 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](Nc2ccc(C#N)c(Br)c2F)[C@@H]2CCCC[C@H]21 2179389722 IHXFSAROVMUKKK-CWRNSKLLSA-N 438.341 5.050 30 10 IKEE COc1cc(C)cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)c1 2201258219 VPDSXSHDYVXKKR-IBGZPJMESA-N 431.330 5.773 30 10 IKEE CC#CCCCC[C@H](NCCC)c1ccc(Br)cc1I 2207270474 BKNSLKZSTMLBBA-KRWDZBQOSA-N 448.186 5.678 30 10 IKEE CC[C@H](CCNC(=O)OC(C)(C)C)CC[C@@H](C#Cc1ccccc1Br)NC 2235731601 QTFDSWVYCBNSEC-HKUYNNGSSA-N 437.422 5.110 30 10 IKEE C=CCCC[C@@H](NCCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237401361 WQRSIZHOJAMVNA-UXHICEINSA-N 439.438 5.609 30 10 IKEE CCCCCC#CC[C@@H](NCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2256702226 KYOAMSOWVNHREY-XMMPIXPASA-N 442.644 5.392 30 10 IKEE CCCN[C@H](C#CC1CCCC1)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2289693824 QEFOCYITGBSNFL-LJQANCHMSA-N 435.406 6.030 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)CN(CC(C)(C)C)C(=O)OC(C)(C)C 2296217233 RXYWHARJNRLLDL-LJQANCHMSA-N 437.422 5.062 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1c(Cl)cccc1Cl)C2=O)c1ccc(F)cc1 2296866098 WRYJORCCMJUHCY-UHFFFAOYSA-N 429.230 5.968 30 10 IKEE CCCN1C(=O)C(=Cc2ccc(OCC)cc2OCC)SC1=Nc1ccc(OC)cc1 2297558891 GCOMRJCXIGJCTA-UHFFFAOYSA-N 440.565 5.507 30 10 IKEE O=C1C(=O)N(c2nccs2)[C@H](c2cccc(Cl)c2)C1=C(O)c1ccc(Cl)cc1 2297739687 LYVLFACVDGUCBI-MRXNPFEDSA-N 431.300 5.076 30 10 IKEE Cc1c(OCC(=O)OC(C)C)ccc2c1OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2321862451 ONBUVFDTFLCXNH-UHFFFAOYSA-N 428.484 5.609 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Br)ccc2OCc2cccc(F)c2)c1 2322371435 QCNHUFFHLQXXNL-UHFFFAOYSA-N 441.296 6.072 30 10 IKEE CCCNC(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccc(Cl)c(Cl)c1 2322583006 HHSOYRHFPRVCBX-UHFFFAOYSA-N 442.342 5.948 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cc(Br)ccc1OCCCO 2322953095 ZAZFEZBNZWXRQI-UHFFFAOYSA-N 431.370 5.712 30 10 IKEE Cc1c(OC(=O)CCCOc2ccccc2)ccc2c1OC(=Cc1ccc(F)cc1)C2=O 2323178322 NLPPJQBJKSMLEL-UHFFFAOYSA-N 432.447 5.515 30 10 IKEE Cc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1[N+](=O)[O-] 2323331897 YRIPCDWCMKXYRT-UHFFFAOYSA-N 449.846 5.700 30 10 IKEE Cc1c(OC(=O)c2c(F)cccc2Cl)ccc2c1OC(=Cc1cccc(Cl)c1)C2=O 2323363973 WBDVQOYGUVFIJP-UHFFFAOYSA-N 443.257 6.276 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(OC)c2)ccc1OCc1ccccc1F 2323459198 ZCSQUXLIKUYIEX-UHFFFAOYSA-N 436.479 5.717 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccccn1)C2=O)c1ccc(OCc2ccccc2)cc1 2323840341 PEBRCYRXWINDTC-UHFFFAOYSA-N 449.462 5.496 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OCc1ccccc1Cl 2323852713 VHTHAAAXFDLWPR-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE CCCCCCOc1ccc(C=NNc2nc(-c3ccc(C)cc3C)cs2)cc1OC 2323857931 DTIKXBHNPBUELJ-UHFFFAOYSA-N 437.609 6.841 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(C)c2)C3=O)cc1 2323888979 UJRCLOXUVVSMMR-UHFFFAOYSA-N 442.467 5.454 30 10 IKEE CCCOc1c(Br)cc(C=CC(=O)c2ccc(OC)c(F)c2)cc1OCC 2324120694 UJXXVXTTZNKYSQ-UHFFFAOYSA-N 437.305 5.680 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2)C3=O)cc1Cl 2324474440 YWLDQUHLSWFNAF-HNNXBMFYSA-N 449.890 5.371 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O 2325092663 JNBXDAUUPKQNHY-NRFANRHFSA-N 426.484 5.723 30 10 IKEE Cc1c(OC(c2ccccc2)c2ccccc2)ccc2c1OC(=CC=Cc1ccccc1)C2=O 2325216561 DHNZAGDWOWOMIU-UHFFFAOYSA-N 444.530 7.336 30 10 IKEE Cc1ccc(NC(=O)CCOc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2325224653 XOTOCRBSBCBWGL-UHFFFAOYSA-N 433.891 5.672 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3)n2N=Cc2sccc2C)c1 2325448939 OHYKVRNFMDPNGX-UHFFFAOYSA-N 446.645 6.225 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(F)c(F)c4)cc(C)c3C2=O)cc1 2325528855 WQTXMMCFLLLMRM-UHFFFAOYSA-N 449.453 5.469 30 10 IKEE Cc1ccc(C)c(OCC(=O)Oc2cccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)c2)c1C 2325684678 MFYATPSCWDZCMW-UHFFFAOYSA-N 445.471 5.401 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)CCc3ccccc3)c2)cc1 2325710781 VLDBIKSVQWUFGW-UHFFFAOYSA-N 442.555 6.472 30 10 IKEE C[C@H](Oc1ccc(Cl)cc1)C(=O)Oc1cccc(C=CC(=O)c2ccc(Cl)cc2)c1 2325730360 OMOGOJLTYPMKOH-INIZCTEOSA-N 441.310 6.262 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1sccc1C 2325951524 VAWZJCNMRHPLKZ-UHFFFAOYSA-N 447.427 5.552 30 10 IKEE CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1cccc(OC)c1OC 2326900770 ANKRWAXCCBNGNF-UHFFFAOYSA-N 440.613 5.048 30 10 IKEE Cc1cccc(C=Nn2c(COc3ccc(Cl)cc3)nnc2SCc2ccccc2)c1 2327557819 MRZADLCTDGTQHL-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE CCCOc1ccccc1C=Nn1c(CCc2ccccc2Cl)nnc1SCC 2327950830 SFFPBHMOEFSKFL-UHFFFAOYSA-N 428.989 5.500 30 10 IKEE CCCSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc(OCC)cc1 2327980110 WBWFZLQLALFBOC-UHFFFAOYSA-N 428.989 5.500 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)cc2C)n1N=Cc1c[nH]c2ccccc12 2328897227 FWCIRLHPJCYVCF-UHFFFAOYSA-N 431.565 5.506 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccc(C)c(C)c3)n2N=Cc2ccco2)c1 2328953002 CLSWOLBHUUPPMP-UHFFFAOYSA-N 444.604 6.064 30 10 IKEE Fc1cccc(C=Nn2c(CCc3cccs3)nnc2SCCc2ccccc2)c1 2329669160 ZFJRGPUYNSOUEB-UHFFFAOYSA-N 436.581 5.481 30 10 IKEE CCCCCOc1ccc(C=Nn2c(Cc3ccc(C)cc3)nnc2SC)cc1OC 2329930168 QQTIJVAJIUUOSP-UHFFFAOYSA-N 438.597 5.359 30 10 IKEE C(=Nn1c(Cc2ccccc2)nnc1SCCc1ccccc1)c1cccc2ccccc12 2330493224 CYLNLHYJMYORGH-UHFFFAOYSA-N 448.595 6.239 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(-c3cccs3)n2N=Cc2cccs2)o1 2330576143 FXITZVUBVSPLMW-UHFFFAOYSA-N 444.563 5.012 30 10 IKEE CCCCC(=O)Oc1c(OCC)cc(C=CC(=O)c2ccc3ccccc3c2)cc1[N+](=O)[O-] 2330669740 PQMORXOQLSENPZ-UHFFFAOYSA-N 447.487 6.138 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(OCC(C)C)cc3)cc2)c1 2330777082 OEBRQQYONZMBAP-UHFFFAOYSA-N 430.500 5.845 30 10 IKEE Cc1ccccc1C=Nn1c(CC(C)(C)C)nnc1SCc1c(F)cccc1Cl 2330881263 FYGVKISECVCIAH-UHFFFAOYSA-N 430.980 6.142 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)cc(Br)c1OC(=O)C1CC1 2330980044 HDNOQBCXKPKYCN-UHFFFAOYSA-N 445.309 5.068 30 10 IKEE Cc1ccc(CSc2nnc(C3CCCC3)n2N=Cc2ccc3c(c2)OCCO3)cc1 2331018070 OCBABALRQNQANR-UHFFFAOYSA-N 434.565 5.190 30 10 IKEE Cc1ccccc1CCC(=O)Oc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl 2331029186 IZZKCLOPQSWXLY-UHFFFAOYSA-N 449.890 5.991 30 10 IKEE C[C@H](C(=O)Oc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-])c1ccccc1 2331031113 ZYLBCDAPPLKQEB-INIZCTEOSA-N 446.415 5.108 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccco2)c(Br)c1)c1ccc(Cl)cc1 2331145060 SNJSRUVXBHPUPM-UHFFFAOYSA-N 431.669 5.811 30 10 IKEE CCSc1nnc(CCOC)n1N=Cc1c(OCc2ccccc2)ccc2ccccc12 2331266804 JGBFEPNSSJLKOP-UHFFFAOYSA-N 446.576 5.193 30 10 IKEE CC(C)(C)C(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1Br 2331439894 BEEUTEDVLHQPHU-UHFFFAOYSA-N 431.282 5.025 30 10 IKEE CC(C)Cc1nnc(SCc2ccccc2Cl)n1N=Cc1ccccc1OC(C)C 2331456455 OQNBRLHWZJKZOB-UHFFFAOYSA-N 443.016 6.092 30 10 IKEE CC(C)Cc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(N(C)C)cc1 2331456746 AGYNDXULCNJTHC-UHFFFAOYSA-N 428.005 5.371 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1OC 2331488604 INEOFASRUIJMBU-UHFFFAOYSA-N 444.571 7.401 30 10 IKEE COCc1nnc(SCc2cccc3ccccc23)n1N=Cc1cn(C)c2ccccc12 2331594980 XULZZBIJKWRORD-UHFFFAOYSA-N 441.560 5.244 30 10 IKEE Cc1cccc(C(=O)Oc2ccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)cc2[N+](=O)[O-])c1 2331649082 YAOHZWKLKRKJFJ-UHFFFAOYSA-N 443.499 6.252 30 10 IKEE C=CC[C@H](C)[C@@H](Cc1ccc(I)c(Br)c1)NCCC 2349779792 YEAJAZAWFGYFKK-BLLLJJGKSA-N 436.175 5.177 30 10 IKEE CCCCCCCCC[C@H](N)[C@H](O)c1sc(Cl)cc1I 2366647367 GDTWXVMKMPFECU-JSGCOSHPSA-N 429.795 5.508 30 10 IKEE C=CCN1C(=O)[C@@H](CC(=O)c2ccc(C)c(C)c2)S/C1=N\c1cccc2ccccc12 15055325 ODBHVLJEUQUYMH-IHZKLZTASA-N 428.557 5.847 30 10 IKEE Cc1ccc(CSc2nc3n(n2)[C@@H](c2ccc(F)cc2)C2=C(CCCC2=O)N3)c(C)c1 20134131 DHMSTSBBSKJNKE-QFIPXVFZSA-N 434.540 5.348 30 10 IKEE C=CCNC(=O)c1cccc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@@H]21 20753538 ZHAPOXRISCLZND-KULFAVDPSA-N 430.551 6.735 30 10 IKEE Cc1ccc(N2C(=O)C(C)(C)[C@H](N3CCCCC3)/C2=N\C23CC4CC(CC(C4)C2)C3)cc1 21152124 VXANDOXHZPFXFR-XOIRIKARSA-N 433.640 5.590 30 10 IKEE CCn1nc(C)c(CN/C(=N/C(=O)c2ccc(C)c(F)c2)Nc2ccc(C(C)C)cc2)c1C 32972188 OZNXJEGLSFVGSP-UHFFFAOYSA-N 449.574 5.489 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O)c1ccccc1 33368948 MVDCCKPLRWVNSO-UUYOSTAYSA-N 435.273 5.327 30 10 IKEE O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccc2c3c(cccc13)CC2)c1ccccc1 33401289 YBTXXDIWDHQRHT-ZPHPHTNESA-N 426.519 6.687 30 10 IKEE COc1ccc(/C=C\C(=O)c2ccc(OC(=O)N(c3ccccc3)c3ccccc3)cc2)cc1 34955745 APBFLGIQOCZSSQ-STZFKDTASA-N 449.506 6.928 30 10 IKEE C=CCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2[C@@H]1c1cccc(Oc2ccccc2)c1 39910771 AKUBOPCPFWUTGO-DEOSSOPVSA-N 437.495 5.933 30 10 IKEE C=CCc1ccccc1OCCCCn1c([C@@H]2CC(=O)N(C3CC3)C2)nc2ccccc21 40183014 JNAWOMFNZACGTO-OAQYLSRUSA-N 429.564 5.102 30 10 IKEE COc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(CCc1cccs1)C3 41645036 HJXGKVSTRYUFSU-XKZIYDEJSA-N 433.529 5.076 30 10 IKEE O=C(O)CSC1=N/C(=N\c2ccc(Cl)cc2)C2(CCCCC2)N1Cc1ccccc1 96563769 JZFLHZVFHARUKZ-DAFNUICNSA-N 441.984 5.763 30 10 IKEE Cc1nc(S[C@H](C)C(=O)/C=C2\N(C)c3ccccc3C2(C)C)n(C[C@@H]2CCCO2)c1C 96931256 HFMWTEOTWVTYJJ-ILKVTVQGSA-N 439.625 5.040 30 10 IKEE CCCCCCCOc1cccc(NC(=S)NC(=O)c2ccc(O[C@@H](C)CC)cc2)c1 100251794 FZNAVVLPCKQUJD-IBGZPJMESA-N 442.625 6.340 30 10 IKEE CCCCCCCCCCCCn1c([C@@H]2CC(=O)N(C3CCCC3)C2)nc2ccccc21 102107301 UYZKAZMNZLQOIZ-HSZRJFAPSA-N 437.672 7.216 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2cccc(C)c2)c1 169930596 LCGINVVHZNACAI-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2cccc(C)c2)c1 169930658 XGGAXFYAIAESFR-DEOSSOPVSA-N 439.467 5.533 30 10 IKEE CN1C(=S)N[C@H](c2c(OCc3ccccc3)ccc3ccccc23)C2=C1CCCC2=O 169936428 RSDXIRNASHFFCP-RUZDIDTESA-N 428.557 5.287 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@H]2c2ccccn2)cc1 169992178 XBOHSOCOHUYYKX-DEOSSOPVSA-N 440.543 5.724 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccncc1 170019396 NEHGWBHORJJBGH-QFIPXVFZSA-N 444.874 5.573 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccccc2)cc1 170032516 GFSHXQKMEMKIQD-RUZDIDTESA-N 441.527 5.875 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccco2)c1 170038777 FOPMRCPXNCQWDE-QHCPKHFHSA-N 431.488 5.074 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccc(F)cc2)c1 170063155 GOKUHOXYFMMSAB-QFIPXVFZSA-N 435.882 5.879 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@@H]2c2ccc(F)cc2)c1 170065657 MPZQRIMARBTOJV-JOCHJYFZSA-N 441.462 5.102 30 10 IKEE Cn1cc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccco2)c2ccccc21 170084423 FNSIOQKLCVUNKD-JOCHJYFZSA-N 446.890 5.203 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccccc2C)c1 170086204 JSFNHRPYLVHKSE-XMMPIXPASA-N 427.500 5.403 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2C2CCCCC2)c1 170119186 LINQEKKALICJFG-DEOSSOPVSA-N 449.547 5.393 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2Cc2ccco2)c1 170143949 XMEABBXOQSKQCO-XMMPIXPASA-N 445.515 5.401 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@H]1c1cccc(C)c1 170146690 VOVZPRFEJKCYLW-XMMPIXPASA-N 435.564 5.814 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)(C)C)c2)[C@H]1c1cccc(C)c1 170146968 QCJVXOJZRZENKN-HSZRJFAPSA-N 435.564 5.680 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2cccs2)c1 170156089 QZBOHOJEJSVPDV-QFIPXVFZSA-N 449.528 5.165 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1cccs1 170161538 QNYPISLGNRDRAS-QHCPKHFHSA-N 447.556 5.874 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1cccc2ccccc12 170221005 YAGSTMQOZFGLNQ-DEOSSOPVSA-N 429.516 5.615 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1ccc(C(C)C)cc1 170245996 CRCMPQYXAQJXQM-CJAUYULYSA-N 447.575 5.902 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1Cc1ccco1 170274141 JVVOZSBAJORRFK-QHCPKHFHSA-N 431.488 5.154 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccco2)cc1C 170282815 PLVAHABBENROKI-HSZRJFAPSA-N 431.488 5.305 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccco2)ccc1Cl 170284842 KATIOUWFMVXNGA-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccco2)cc1Cl 170288447 UFALBYMUHRPDMN-PEBXRYMYSA-N 449.890 5.348 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccc(C)o2)cc1 170301399 JFVZMLKCFWVIHP-DEOSSOPVSA-N 439.467 5.533 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC(C)C)cc3)[C@@H]2c2ccc(C)o2)cc1 170303855 MGJDXQWCOKCXNM-DEOSSOPVSA-N 445.515 5.714 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@H]1c1ccc(C)o1 170304763 UTQUZEKERVUDBC-QHCPKHFHSA-N 445.515 5.613 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C)o2)cc1C(C)(C)C 170306937 FVEKZJUFNVXFCM-QFIPXVFZSA-N 449.503 5.266 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCCOC(C)C)o1 170310637 PGZKEKWZUBXSGN-HSZRJFAPSA-N 433.504 5.135 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2sccc2C)cc1 170315521 LXRPJZLACPHZLT-NRFANRHFSA-N 433.529 5.547 30 10 IKEE COc1ccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(C(C)C)cc2)cc1OC 170433735 PUYOYTRPYFOMIH-QFIPXVFZSA-N 437.536 5.342 30 10 IKEE N#Cc1cc(Br)cc(Nc2ccc(I)cc2Cl)c1 232150862 BURQPEGLSGGZOK-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE O=C(O)c1ccc(CN2C(=O)/C(=C/c3cccc(F)c3)SC2=Nc2ccccc2)cc1 252605185 GHFUZGKHWTWFCA-UDYULTBOSA-N 432.476 5.328 30 10 IKEE Clc1ccc(-c2nc3ccc(N=Cc4cc5c(cc4Cl)OCO5)cc3o2)cc1Cl 252634671 WQIOQJZAWYMGFX-UHFFFAOYSA-N 445.689 6.934 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccc(C)c(F)c2)nnc1-c1ccc2ccccc2c1 253564762 GXLAVXZTAMEKNC-UHFFFAOYSA-N 432.524 5.463 30 10 IKEE O=C(CSc1nc2ccc(N=Cc3ccccc3O)cc2s1)NC1CCCCC1 254346855 BXDIGIUWBUWTND-UHFFFAOYSA-N 425.579 5.294 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)cc1F)NCCC 406900024 SWVVUVSTSDZUOS-RTBURBONSA-N 443.401 5.358 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccc(OC)c2)c1 526607368 VJXJECPZNONEKJ-XMMPIXPASA-N 426.472 5.023 30 10 IKEE CCCOc1c(Cl)cc(/C=N\n2c(C)nnc2SCc2ccccc2)cc1OCC 526800285 ZGIMPDUVGDDFKB-OYKKKHCWSA-N 444.988 5.602 30 10 IKEE COc1cccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccc(F)cc2)c1 526802814 OIWFAYSUHMYAGQ-PKAZHMFMSA-N 446.551 5.386 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1c(OC)ccc2ccccc12 526804972 BQJZBPIRYMNEQF-PKAZHMFMSA-N 444.604 6.265 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1cccc(OCC)c1OC 526807205 NNWFNSHWISVNKZ-OYKKKHCWSA-N 444.988 5.466 30 10 IKEE Cc1ccccc1/C=N\n1c(Cc2ccccc2)nnc1SCc1cccc(Cl)c1 526812743 JYZPRIYLQISYNT-QQXSKIMKSA-N 432.980 6.005 30 10 IKEE CCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1c(OCC)ccc2ccccc12 526825157 LUCJSLKXFXEUGT-YUMHPJSZSA-N 448.567 6.096 30 10 IKEE C#CCCCCC[C@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 686707702 WPNPVHRZVPJOJE-RPLLCQBOSA-N 441.660 5.108 30 10 IKEE C[C@@H]1CC[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)CN1C(=O)OC(C)(C)C 698354873 UCOJFAKLFYCDBE-HOYKHHGWSA-N 429.561 5.105 30 10 IKEE CCCCCCCC[C@@H](NCC)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 702479426 GXJQNSWJSKCEEL-DNQXCXABSA-N 433.681 5.740 30 10 IKEE O=C1C(=Nc2ccc(F)cc2)c2ccccc2N1CN(Cc1ccccc1)Cc1ccccc1 1084340451 WNRBEDPWLPMWLC-UHFFFAOYSA-N 449.529 5.953 30 10 IKEE Oc1ccc(Br)cc1C=NNc1c(F)c(F)c(C(F)(F)F)c(F)c1F 1565518860 KTDKYDJHHFZYSI-UHFFFAOYSA-N 431.105 5.176 30 10 IKEE COC(=O)c1ccccc1/C=N/c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1O 1616047006 SAVQYFOCFDRHHE-KKMKTNMSSA-N 449.812 6.394 30 10 IKEE Cc1c(C(=O)Oc2cccc3ccccc23)oc2c1C(=NNc1ccccc1)CC(C)(C)C2 1772729454 OXGHFWMQIVJJLB-UHFFFAOYSA-N 438.527 6.749 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=Nc1ccncc1Cl 1772733338 MSQBTMMXJRVVSU-YENWFTGLSA-N 430.316 5.882 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=Nc1ccc(O)cc1C(=O)O 1772760828 BFOYLUVLRWXRTR-HWICUKGISA-N 449.315 5.187 30 10 IKEE C=CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=Nc1ccc(C)cc1O 1772762819 XMLNNXHWJALEON-FNLGWUMESA-N 429.339 5.253 30 10 IKEE CCCSc1ccc(C(=O)Nc2c(C#N)cnn2-c2cc(C)c3ccccc3n2)cc1 1859750025 GPQNSAUUIHUUNR-UHFFFAOYSA-N 427.533 5.355 30 10 IKEE CCOc1ccc(/C=N/NC(=S)NC(c2ccccc2)c2ccccc2)cc1OCC 1860499668 RZHUYLRXXNBLJU-NLRVBDNBSA-N 433.577 5.072 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)Cc1ccc(OCCC)c(C)c1 1860980986 FWVLTLMHLNZCLL-XMMPIXPASA-N 446.676 5.868 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1861021375 DSNNEIYPSYJRRR-SFHVURJKSA-N 425.957 5.014 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2ccccc2[nH]1 1861390244 GPGHRDDAIXGVBB-VWLOTQADSA-N 447.623 5.766 30 10 IKEE CCCCCCCCNC(=O)[C@@H](NC(=O)/C=C/c1ccccc1Cl)c1ccccc1 1861556716 BTVAIWOUELTBFK-XGAHLHMBSA-N 426.988 5.687 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CC)cc1 1862388232 DPGUTZKJNNXAQM-FQEVSTJZSA-N 448.346 5.771 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C 1862405210 MSYNDKAGJJMZHR-DEOSSOPVSA-N 449.591 5.926 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862431876 QKQMOAHLCHWJDI-BXKMTCNYSA-N 445.946 6.242 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1cccc(Cl)c1 1862470948 ZGJNJHJHNIAJDI-SGTLLEGYSA-N 448.744 5.479 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2cc(Br)ccc2F)c1 1862497061 APRVRSNZNKOVHD-LJQANCHMSA-N 446.316 5.192 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2cccc(F)c2)ccc1F 1862502238 UUQXHXXLTLRTSP-UPNLOYSTSA-N 425.475 5.430 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc3cc[nH]c3c2)ccc1F 1862504579 XLRMVWWBZQTNPR-QHCPKHFHSA-N 432.495 5.526 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccccc2)cc1 1862515526 WUCAYQZJNKEIGM-UQBPGWFLSA-N 441.527 5.815 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2c(F)cccc2Cl)cc1 1862518708 QYQMQRXOBHISID-LHSJRXKWSA-N 445.918 5.645 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2c(F)cccc2Cl)cc1 1862518730 RMJWWRBNZLZSPH-NRFANRHFSA-N 445.918 5.502 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@H]1c1ccccc1)c1ccc2c(c1)CCCC2 1862544304 ZYFRRRFANOXAKS-DEOSSOPVSA-N 443.568 5.448 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(F)cc1F 1862559985 AZBIVLMKFWNNFE-XMSQKQJNSA-N 442.506 5.484 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccccc2Cl)cc1 1862589528 MXOSRYFFQAFULX-JOCHJYFZSA-N 433.891 5.133 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccccc1Cl 1862595780 PUOFLBZJWDOULD-RFVSGWPVSA-N 425.912 5.203 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc(O)c1 1862650279 RTKIEVNLAAFHDG-LAMXGVLKSA-N 441.527 5.702 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(C(C)(C)C)cc1 1862654187 XMUWABLQDSNUSG-VWLOTQADSA-N 441.571 6.372 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCc2ccc(F)cc2)c1 1862673645 FWQMQLGXLWVDNH-QHCPKHFHSA-N 433.454 5.094 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc(Br)c1 1862681322 XTAJQALVZHNKKM-IBGZPJMESA-N 446.316 5.213 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccc(OC)cc2)cc1 1862689185 KGRHHENXFFZPCW-XDHUDOTRSA-N 443.499 5.043 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(F)cc1 1862702518 FIVROGMZYOGYJQ-OFNKIYASSA-N 439.527 5.772 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccccc1F)c1ccc2ccccc2c1 1862715779 RIKNIQIDTZDRHP-VWLOTQADSA-N 443.518 6.280 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(C(=O)OC)cc1 1862720106 SKHFAEPYVXZGAN-QMHKHESXSA-N 443.499 5.003 30 10 IKEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccc(C)cc2)cc1 1862731470 UQDMLBCQKKYVET-RUZDIDTESA-N 447.575 6.085 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)cc1 1862740603 FNXFPECGZBUQHX-JFJYTDJESA-N 448.519 5.314 30 10 IKEE CSc1cccc(NC2=C(c3ccc(F)c(C)c3)C(=O)N(c3ccccc3C#N)C2=O)c1 1863100631 XZOOYLLHJHLRQX-UHFFFAOYSA-N 443.503 5.124 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(F)cc2F)C(=O)N(Cc2ccco2)C1=O 1863652333 ZRWMAJWAXQTIHQ-UHFFFAOYSA-N 444.522 5.568 30 10 IKEE CCCCCCCCn1cc(C(=O)N[C@@H](CC)c2ccc3c(c2)CCCC3)c(O)cc1=O 1870117953 FUOHZXAPIBLWJS-DEOSSOPVSA-N 438.612 5.674 30 10 IKEE C=CCn1cc(OCCCCOc2ccccc2C)c(=O)cc1CN1C[C@@H](C)C[C@H](C)C1 1870322183 RIIRXHXPBIPJPO-VXKWHMMOSA-N 438.612 5.059 30 10 IKEE CCCCCCCOc1cn(CCCCCC)c(CN2CCC3(CC2)OCCO3)cc1=O 1870416639 HRWNJFFUBDQYGG-UHFFFAOYSA-N 448.648 5.117 30 10 IKEE CCCCCCCCn1cc(OCCC(=O)OCC)c(=O)cc1CN1C[C@@H](C)C[C@@H](C)C1 1870452831 SHSFEZRUQMXWRG-SZPZYZBQSA-N 448.648 5.019 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccccc2C)cn1CCCOCCCC 1870626647 GDRDHCPWPZUCCG-UHFFFAOYSA-N 438.612 5.117 30 10 IKEE C#CCOc1cn(CCc2ccccc2)c(CNc2ccc(-c3ccccc3C)cc2)cc1=O 1871005681 SQVKFSQWULHVPR-UHFFFAOYSA-N 448.566 5.691 30 10 IKEE Cc1ccc(CCN2COc3c(cc4c(c3C)O/C(=C\c3ccccc3F)C4=O)C2)cc1 1871358899 FAAQCTAJGIXCMC-OYKKKHCWSA-N 429.491 5.453 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)cc1OC 1871367275 CLCPXLLDPKTRLK-MYYYXRDXSA-N 444.483 5.167 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OC(=O)CC4CCCCC4)cc(C)c3C2=O)c1OC 1871380573 VSBUEVUFQJIVIG-HMAPJEAMSA-N 436.504 5.504 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc(OCCCCOc3ccccc3)c2C)C1=O 1871403407 KKIYPEROUZPIOW-XHPQRKPJSA-N 444.527 6.248 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871411431 NLELDZGOJZOAOI-DNPFKWNUSA-N 431.463 5.410 30 10 IKEE COc1ccc2c(c1)c(/C=C1\Oc3c(ccc(OCC(=O)C(C)(C)C)c3C)C1=O)cn2C 1871419606 ONANPSQUVAODCK-JJFYIABZSA-N 433.504 5.106 30 10 IKEE CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)o2)C3=O)c1 1871426162 MRLVJDJXOZDBAL-ICODJCHTSA-N 445.471 5.121 30 10 IKEE CCc1ccc(NC(=O)[C@H](CC)Oc2cc(C)c3c(c2)O/C(=C\c2ccco2)C3=O)cc1 1871426356 ZCIQOLGKQSYKOQ-KUOTXRDYSA-N 431.488 5.563 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCCC(=O)OCCC(C)C)cc(C)c2C1=O 1871429803 YLAJPEHBSOXKLG-HAHDFKILSA-N 438.520 5.368 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1871754904 IKDJTXJSCZZEIZ-DEOSSOPVSA-N 442.625 5.232 30 10 IKEE C=CCN([C@@H](C)C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)S(=O)(=O)c1ccc(F)cc1 1872322181 OZDJMGPFTKNZBL-SFHVURJKSA-N 446.588 5.276 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(Cl)cc1C)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872488391 MQXZYYDSWGTTHH-QFIPXVFZSA-N 449.016 5.105 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(F)cc1 1872527278 ROFPHIVCJRXAIR-HSZRJFAPSA-N 446.588 5.063 30 10 IKEE N#C[C@H](C(=O)/C=C\c1ccc2c(c1)OCCO2)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872760869 ZOKKWRFGXVUMNH-BHQIVLKMSA-N 442.540 5.350 30 10 IKEE CC(C)(C)c1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-n4cccc4)cc3)n2)cc1 1872773428 NOTQRFZRDNJBCV-QFIPXVFZSA-N 425.557 6.388 30 10 IKEE COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 1872779447 KDPJNCJTQHQOJI-JOCHJYFZSA-N 426.497 6.101 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(N(C)C)cc3)n2)c(OCC)c1 1872783774 HQTSNILQHZEAMI-FQEVSTJZSA-N 435.549 5.164 30 10 IKEE CCCCCCCCN1C(=O)C(NCCC2=CCCCC2)=C(c2ccccc2F)C1=O 1873030122 ZHHLAIQCXXXEGJ-UHFFFAOYSA-N 426.576 5.746 30 10 IKEE CCSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1cccc(Cl)c1 1874225398 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CCc1ccc(C(=O)/C=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(OC)c2)cc1 1874604526 RNODHDYMJRBYBJ-SDNWHVSQSA-N 449.934 5.825 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2cccc(OC)c2)cc1OCC 1874605512 RYFXFZHFYOZWFK-ACCUITESSA-N 439.552 5.017 30 10 IKEE Cc1ccc(COc2ccc(/C=C/C(=O)c3ccc(Br)cc3)cc2Cl)cc1 1874607698 BCQSNROMWCEIEV-WUXMJOGZSA-N 441.752 6.886 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1OCc1ccccc1F 1874616521 FQILHTHIULDJRM-JLHYYAGUSA-N 435.451 5.916 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OCc3cc(C)ccc3C)c([N+](=O)[O-])c2)c1 1874619284 SMVKZNDGLFSGLZ-JXMROGBWSA-N 447.487 5.704 30 10 IKEE C=C(C)COc1c(Br)cc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc1OC 1874623804 WEQPXGXHOUJJEM-FNORWQNLSA-N 435.289 5.456 30 10 IKEE COc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc4c(c3)CCCC4)ccc2OC)cc1 1874693785 WCKPSDZUUVMONF-VIZOYTHASA-N 442.511 5.698 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc4nc(C)c(C)nc4c3)c2)cc1 1874697897 QDDRGQSBQPQWIM-VGOFMYFVSA-N 438.483 5.371 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)c1ccc(C)c(C)c1 1874698071 KAOKXJXUPMCRBS-LFYBBSHMSA-N 431.444 5.336 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC(=O)[C@@H]1CCCO1 1874710590 FLEIFTVRPXOLSI-LBQODKDLSA-N 438.520 5.116 30 10 IKEE CCCCCCCCC(=O)NCCc1nn2c(C3CCC(CCCC)CC3)nnc2s1 1874784365 ATZINLVXDUCHTK-UHFFFAOYSA-N 447.693 6.059 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(C(F)(F)F)cc2)cc1)c1cccc([N+](=O)[O-])c1 1875084848 CKDFLBGAEARBJV-AWNIVKPZSA-N 441.361 5.729 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1cccnc1 1875105430 UXKOEKMSQVWJTD-WEVVVXLNSA-N 442.298 5.902 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)c(F)c2)cc1)c1ccc(Br)cc1 1875109069 USZUWSIURISPJN-KGVSQERTSA-N 443.243 5.843 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3F)cc2)cc1OC 1875120397 RSXZUTXZFUZTFY-VZUCSPMQSA-N 438.426 5.026 30 10 IKEE O=C(CCCOc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1[N+](=O)[O-] 1875127139 PSJLTEFCOHDXBK-FYWRMAATSA-N 431.444 5.256 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCOc3ccccc3)c(OC)c2)cc1 1875131458 ZIRWNUBXLKUCFT-OQLLNIDSSA-N 446.499 5.365 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)CCCOc3ccccc3C)cc2)c1 1875138453 WRXGESOLISJINY-SAPNQHFASA-N 428.528 6.273 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)[C@H]3CCCO3)c(Br)c2)c1 1875139506 LVASFFXIJAZRHY-WFNSPDMASA-N 429.310 5.046 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1cccc2ccccc12 1875142889 XZGMNLBNQRQPKC-GXDHUFHOSA-N 440.470 6.411 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)CC1CCCCC1 1875151224 ASIAIBQZFGQUKJ-DHZHZOJOSA-N 436.504 5.586 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)[C@H](C)c1ccccc1 1875157592 FLMGIHKHYXPBAG-WDBUWWRISA-N 438.882 6.093 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2Cl)c1 1875175288 ILFTVSAQCLTJLH-XYOKQWHBSA-N 448.946 6.400 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[C@@H](C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1902327073 PIUGEBZSRRMVOG-RCCFBDPRSA-N 435.590 5.071 30 10 IKEE CCN(CC=CC#CC(C)(C)C)Cc1cccc(OCc2cc(-c3ccsc3)cs2)c1 1903860397 KIRGLCXNEVICOG-UHFFFAOYSA-N 449.685 7.483 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1944736823 RBBKJBRCEXZCCU-OALUTQOASA-N 449.979 5.763 30 10 IKEE Cc1cc(C#N)ccc1[C@@](C)(CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 1952067168 BIHCHPTXURTWCU-HHHXNRCGSA-N 440.499 5.095 30 10 IKEE CC[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1987801855 XDDITQPDNCITMD-HTAPYJJXSA-N 435.590 5.167 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)CCC12CCC2 2008284897 ASVSPCHCVZQEAR-XMMPIXPASA-N 433.593 5.382 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CC2)C12CCCCC2 2024621426 VOVJEBXKHFLMHL-DEOSSOPVSA-N 433.593 5.382 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@](C)(C#N)C1CCSCC1 2029439394 OKYVAARNRNIGFP-IBGZPJMESA-N 425.392 5.616 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)[C@H]1C1CC1 2067949814 GETJXFOULRSWQC-CJFMBICVSA-N 447.620 5.628 30 10 IKEE CC(C)c1nn(Cc2ccc(C(F)(F)F)cc2F)c(Br)c1C(F)(F)F 2079799874 KQEBRWLEPDCJJC-UHFFFAOYSA-N 433.165 5.994 30 10 IKEE Cc1ccc([C@@H](n2nc(C(C)(C)C)c(C=NO)c2Br)C(C)(C)C)c(F)c1F 2079939547 PMSZJCUXXSTMLT-QGZVFWFLSA-N 442.348 5.973 30 10 IKEE CC(C)[C@H](c1ccc(C2CCC2)cc1)n1nc(C(F)(F)F)c(C#N)c1Br 2079988039 XGBKSPPKICIXTK-MRXNPFEDSA-N 426.280 6.049 30 10 IKEE CCCOc1ccc([C@@H](CC)n2nc(C(C)C)c(C#N)c2I)cc1 2080056323 RSRXUAWSHIQBSG-QGZVFWFLSA-N 437.325 5.271 30 10 IKEE Oc1cc(-c2ccc(F)cc2C(F)(F)F)nc2c(Br)c(C(F)(F)F)nn12 2080883331 PEZZXSNLPQMCPI-UHFFFAOYSA-N 444.104 5.041 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NC)c2c(Br)ccc(Cl)c2F)C1 2126684068 FGXPACZNJZMKDG-INIZCTEOSA-N 447.776 5.363 30 10 IKEE COc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)c(C)n1 2157051232 KJCUBSPFONQFGH-KRWDZBQOSA-N 432.318 5.168 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](Nc2cc(Br)c(C#N)cc2F)CC12CCCC2 2162311811 ZBNGCKJILHSLKF-CQSZACIVSA-N 438.341 5.194 30 10 IKEE C=CCCCC[C@@H](NCCC)[C@@H](O)c1scc(Br)c1Br 2179675883 AWVLTVOEUDEOBF-TZMCWYRMSA-N 425.230 5.421 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCCC)c2cccc(Br)c2C)C1 2203691090 HHPDCQZCUAZXHO-IBGZPJMESA-N 437.422 5.659 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CC[C@H](C1)[C@@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 2249390127 GFHGKEKPOFGCGX-OXLXHMEASA-N 433.593 5.142 30 10 IKEE CCCN[C@H](CC=CC#CC(C)(C)C)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256730387 DVNHROOXZLYINL-RPWUZVMVSA-N 442.644 5.461 30 10 IKEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CSCc1ccc(Br)cc1C#N 2260259411 OGWYFWDLTNYFDN-SUMWQHHRSA-N 425.392 5.199 30 10 IKEE CC(C)[C@@H](C)N(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C(C)C 2267507271 LHJTXYXZYNLZNM-HXUWFJFHSA-N 438.421 5.055 30 10 IKEE C=C(COCc1ccccc1)[C@@](C)(OCCC(=O)O)c1cc(F)ccc1Br 2292217280 SRNOBKZYXWSYDL-OAQYLSRUSA-N 437.305 5.068 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC)c2)c(OC(=O)c2ccccc2C)c1 2296797040 HVBYFMWZBMYFSC-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc3C2=O)c(OC)c1 2296865873 LUROYPXYWUIEBX-UHFFFAOYSA-N 436.847 5.193 30 10 IKEE CN1C(=O)C(=C2Sc3ccccc3N2C)SC1=Nc1ccc(Oc2ccccc2)cc1 2297452839 ZHUTWQVIPWXUAC-UHFFFAOYSA-N 445.569 6.083 30 10 IKEE C=CCN1C(=O)C(=C2Sc3ccc(OC)cc3N2CC)SC1=Nc1ccc(C)cc1 2297550022 BWOPZPQDMSIARW-UHFFFAOYSA-N 437.590 5.554 30 10 IKEE CC1CCC([C@H]2CSC(=NCCCN(Cc3ccccc3)Cc3ccccc3)N2)CC1 2306829068 TZTVGYTVIXBQNW-TXDAUAKNSA-N 435.681 5.966 30 10 IKEE Cc1cc(C)cc(-n2c(C)cc(C=C3SC(=Nc4cccc(Cl)c4)NC3=O)c2C)c1 2313510321 QALMIISZIMYIMG-UHFFFAOYSA-N 435.980 6.256 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(OCc2ccccc2)cc1 2314469569 BUDKIZJHFSTLIH-LOSJGSFVSA-N 436.596 5.613 30 10 IKEE Cc1ccc2c(c1)C(=O)C(=Cc1cn(-c3ccccc3)nc1-c1ccc3c(c1)C[C@@H](C)O3)O2 2314519263 GWFZLJVDHZOYSN-GOSISDBHSA-N 434.495 5.787 30 10 IKEE C=CCN1C(=O)C(=Cc2cccc(Br)c2)SC1=Nc1ccc(C)cc1O 2314928530 XMLNNXHWJALEON-UHFFFAOYSA-N 429.339 5.253 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)C12CC(CCN1C(=O)OC(C)(C)C)C2 2318806002 YEFGGGIMPZYNIA-GTUCJRJXSA-N 441.572 5.418 30 10 IKEE N#Cc1nc([C@@H]2C[C@@H]2c2ccccc2)oc1NN=Cc1cccc(OCc2ccccc2)c1 2320837368 URGMFKKQCBMGLP-DNQXCXABSA-N 434.499 5.842 30 10 IKEE Cc1ccc(OCc2nnc(S)n2N=Cc2cccc3ccccc23)c(C(C)(C)C)c1 2322260446 ZWNKTNHADPAVPG-UHFFFAOYSA-N 430.577 5.787 30 10 IKEE COc1ccccc1C(=O)C=Cc1cccc(OC)c1OCc1ccc(Cl)cc1Cl 2322485609 VHUFRWQNLMHUJN-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(F)cc2F)c1OCc1ccccc1Cl 2322501865 MCKPWEJXZRBEEF-UHFFFAOYSA-N 449.280 6.755 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccc(CC)cc2)cc1 2322607119 NMLGTTNDHFLLTD-UHFFFAOYSA-N 443.543 5.951 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc3c(c2C)OC(=CC=Cc2ccccc2)C3=O)c1 2322806895 INXRVVATMMJYIT-UHFFFAOYSA-N 442.467 5.404 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2c(OCC(=O)OCC(C)C)ccc3ccccc23)cc1C 2322985586 PNZKQNBXSKTEQZ-UHFFFAOYSA-N 446.543 5.939 30 10 IKEE COC(=O)COc1c(C=CC(=O)c2cc(Cl)ccc2Cl)cc(Cl)cc1OC 2322999577 RHUCRTDMBQTYOY-UHFFFAOYSA-N 429.683 5.103 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1C 2323081301 MFSBZCDLGPYFQK-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE C=C(C)COc1c(OC)ccc(C=CC(=O)c2ccc(OCCC)cc2)c1Br 2323157615 ZSUPTCAEEPCRKC-UHFFFAOYSA-N 445.353 6.098 30 10 IKEE CCOC(=O)c1ccc(COc2cc(C=CC(=O)c3ccc(C)c(C)c3)ccc2OC)o1 2323280101 ORVRGTTZIHZEJA-UHFFFAOYSA-N 434.488 5.557 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2C)C1=O 2323280141 VSYQWGSOZUOSAN-UHFFFAOYSA-N 429.428 5.355 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OCC(=O)Nc1cc(C)ccc1C 2323813879 MMBQJASUVFVYPN-UHFFFAOYSA-N 429.516 5.616 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3F)c([N+](=O)[O-])c2)c(C)c1 2323858082 BGTSVJRMXMVRRF-UHFFFAOYSA-N 448.450 5.264 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2)C3=O)c1 2323890384 YSLARDFPBCHQRJ-UHFFFAOYSA-N 428.440 5.146 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2sccc2C)C3=O)cc1 2324478050 LXIIISXQBBUKTK-INIZCTEOSA-N 433.529 5.641 30 10 IKEE CCc1ccc(NC(=O)[C@H](CC)Oc2cc(C)c3c(c2)OC(=Cc2cccs2)C3=O)cc1 2324816947 CGPRNHMFURJXFA-NRFANRHFSA-N 447.556 6.031 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(C)cc3)n2)c(OC)c1OC 2324852932 AQUGKRZSSARKRH-SFHVURJKSA-N 434.517 5.034 30 10 IKEE CCOc1ccccc1NC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1Cl)C2=O 2324893283 GUCJYTZYGYECRF-UHFFFAOYSA-N 449.890 5.372 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1cccc(OC)c1 2325535352 WPOHJPHMLHMTJO-UHFFFAOYSA-N 449.407 6.111 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)c1C 2325738106 NRDAHJGZASPWNW-UHFFFAOYSA-N 431.463 5.385 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(F)cc3F)c2)cc1 2325739260 RPXUVLNPNGMOFI-UHFFFAOYSA-N 436.454 5.798 30 10 IKEE COc1ccc(CC(=O)Oc2cc(C=CC(=O)c3cc(C)ccc3OC)ccc2OC)cc1 2325742260 NVWGOMITHAEFKZ-UHFFFAOYSA-N 446.499 5.065 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(Cl)c(Cl)c2)c1)c1ccc(F)c(F)c1 2325753474 KCEZSVQEUYBFJL-UHFFFAOYSA-N 433.237 6.387 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)c3c(F)cccc3Cl)c2)cc1C 2325771336 PRTJQTVLQVGLHI-UHFFFAOYSA-N 438.882 6.220 30 10 IKEE CCCc1nnc(SCc2ccccc2)n1N=Cc1cc(Cl)c(OCC)c(Cl)c1 2326220660 OEZBFKZNORLDOO-UHFFFAOYSA-N 449.407 6.111 30 10 IKEE COc1ccc(C=Nn2c(C)nnc2SCc2ccccc2Cl)cc1OC(C)C 2326542344 SRPONMODJWRUQX-UHFFFAOYSA-N 430.961 5.210 30 10 IKEE CCOc1ccc(OCc2nnc(SCc3ccccc3C)n2N=Cc2ccco2)cc1 2326637401 OATUWYDDMCUXPH-UHFFFAOYSA-N 448.548 5.332 30 10 IKEE FC(F)(F)c1ccccc1C=Nn1cnnc1SCc1ccc(Cl)cc1Cl 2326691249 MTLYHRXDNJIEDA-UHFFFAOYSA-N 431.270 5.778 30 10 IKEE Cc1ccc(OCCCc2nnc(SCc3ccccc3F)n2N=Cc2ccc[nH]2)cc1 2327191617 IWXAPDQXJIEBFD-UHFFFAOYSA-N 449.555 5.240 30 10 IKEE C=CCSc1nnc(CCc2cccc(OC)c2)n1N=Cc1ccc(C(C)(C)C)cc1 2328652985 HYYKMROZSPFNDK-UHFFFAOYSA-N 434.609 5.530 30 10 IKEE CCSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1ccc(Br)cc1 2328783189 GVPHKEZBGHQEEY-UHFFFAOYSA-N 445.386 5.231 30 10 IKEE Cc1ccccc1CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1sccc1C 2330057063 AUBRHYBRAWWFAQ-IBGZPJMESA-N 432.618 6.283 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2c(F)cccc2Cl)nnc1-c1ccccc1 2330705564 QGVMEWDJVADCIP-UHFFFAOYSA-N 436.943 6.221 30 10 IKEE COc1ccc(OC)c(C=Nn2c(CC(C)(C)C)nnc2SCc2ccccc2C)c1 2330808779 KTPQVNDFGZIUQS-UHFFFAOYSA-N 438.597 5.367 30 10 IKEE Clc1ccc(CSc2nnc([C@@H]3CCCO3)n2N=Cc2ccccc2)c(Cl)c1 2330999122 AUVPTFZDIVAXDL-SFHVURJKSA-N 433.364 5.611 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3F)cc2)cc1 2331084635 VCVOVNJNJWVSJR-UHFFFAOYSA-N 436.454 5.798 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@H]2CCCO2)c(Br)c1)c1cccc(Cl)c1 2331123612 XCKIBAKHHBLJPN-LJQANCHMSA-N 435.701 5.083 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)cc2)cc1 2331259336 QUJFOEQUNHOJAB-UHFFFAOYSA-N 446.415 5.235 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)Cc1ccc(C)c(C)c1 2331348859 WDJFHXSNDABFPZ-UHFFFAOYSA-N 432.491 5.804 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1ccc(F)c(F)c1F 2331349239 CPEDQWIWESTGBH-UHFFFAOYSA-N 444.380 5.675 30 10 IKEE Fc1ccc(CSc2nnc(C3CCC3)n2N=Cc2ccc(Cl)c(Cl)c2)cc1 2331492919 BFBTWEGCDFLNAX-UHFFFAOYSA-N 435.355 6.166 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)C(C)(C)C)c(Br)c2)cc1 2331496007 CGQOXPFMOKFOGS-UHFFFAOYSA-N 429.354 6.420 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)Cc1cccs1 2331705267 YYTVACCTVNRAEE-UHFFFAOYSA-N 436.529 5.426 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)cc2OC)cc1OCC 2331727403 OLGBLVYWBZIIPG-UHFFFAOYSA-N 440.536 5.874 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OC(=O)C2CCC2)c([N+](=O)[O-])c1 2331747891 PCSGWAUVOIKLEQ-UHFFFAOYSA-N 429.856 5.167 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc(Cl)c1OC(=O)C1CC1 2331747942 ZSYYLPOKFMJLAT-UHFFFAOYSA-N 449.330 5.921 30 10 IKEE C[C@@H](CCCNC(=O)OC(C)(C)C)COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339596592 KYHSIDYBPRZAEY-SFHVURJKSA-N 446.397 5.046 30 10 IKEE COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C)o2)c1 21230112 JMGWEGYQXPAEJJ-DXPJPUQTSA-N 430.504 5.585 30 10 IKEE CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc1 21246714 WTJVUYYHLNYZPH-MYUZEXMDSA-N 444.962 6.718 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NC[C@@H]1CCCO1)[C@H]2c1ccccc1 21722107 CTZAQFNJTNQTIO-DFBJGRDBSA-N 445.563 5.192 30 10 IKEE O=C(/C=C\c1ccc(Cl)c(Cl)c1)OC/C(=N/c1ccccc1)Nc1ccccc1 33481625 SQQTYZPTOSEOCV-OWBHPGMISA-N 425.315 6.392 30 10 IKEE C/C=C\Oc1ccc(C(=O)/C(=C/c2ccc(OC)c(OC)c2)c2nc3ccccc3o2)cc1 35297341 CMVDREQNMYIPNJ-ARVQBFAYSA-N 441.483 6.181 30 10 IKEE C=CCCC(O)(CCC=C)c1ccc(CN(Cc2cc(OC)cc(OC)c2)C(C)C)o1 36203691 CMBLTFAIUDFNCJ-UHFFFAOYSA-N 427.585 5.827 30 10 IKEE N#Cc1cccc(CSc2nc(Oc3ccc(F)cc3F)cc(-c3ccccc3)n2)c1 36349468 NXHVZHJHDDMRER-UHFFFAOYSA-N 431.467 6.378 30 10 IKEE Cc1ccc(C)c(COc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2Cl)C3=O)c1 38320943 PVRMILHXNNNPCZ-RMORIDSASA-N 425.311 6.805 30 10 IKEE N#CCN(CC#N)C(=O)CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(Cl)cc12 39867427 UUTFXIHNGRVZQH-UHFFFAOYSA-N 441.922 5.235 30 10 IKEE C=C(C)C(=O)NCCCCCc1nc2ccccc2n1CCCOc1ccccc1C(C)C 40219803 HMKIMOPIUUIATC-UHFFFAOYSA-N 447.623 6.034 30 10 IKEE Cc1c(C(=O)Nc2ccccc2)oc2c1/C(=N/Nc1cccc(C(F)(F)F)c1)CCC2 40824042 CMTMTMQLRTXMQK-RDRPBHBLSA-N 427.426 6.012 30 10 IKEE CC(/C=N\N=C1\S/C(=C\c2ccc(O)cc2)C(=O)N1Cc1ccco1)=C\c1ccccc1 47138791 RYZFYQVDBCMFPR-VNXZMMBDSA-N 443.528 5.547 30 10 IKEE CC(/C=N\N=C1\S/C(=C\c2ccccc2C)C(=O)N1Cc1ccco1)=C\c1ccccc1 47138838 YBZVHAPSXKDDKT-FKYSNVPSSA-N 441.556 6.150 30 10 IKEE C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@@H](C)CCCCC(C)(C)O)C[C@H](O)C[C@H]1O 97974863 WKTIGYIYJKESCJ-QDXYONLCSA-N 430.673 6.095 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)[C@@H](C)Oc1ccccc1[C@H](C)CC 100235891 KSXXQXSXCGORCN-CLJLJLNGSA-N 445.732 8.565 30 10 IKEE COc1ccc2c(Cl)c(C(=O)NC(=S)Nc3sc4c(c3C#N)CCC4)sc2c1 100464737 WWUSKMTUIMRUNP-UHFFFAOYSA-N 447.994 5.112 30 10 IKEE CCCCCCCOc1c(Cl)cc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1Cl 101138378 BWEINBFKSHGYGK-UHFFFAOYSA-N 437.367 6.553 30 10 IKEE COc1cc(/C=N/Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1 169878755 IWJINEKRRWGENH-ZMOGYAJESA-N 445.744 6.136 30 10 IKEE CCCN1C(=S)N[C@H](c2cccc(OCc3cccc(Cl)c3)c2)C2=C1CCCC2=O 169930136 PQAUOHCMVYGDJB-HSZRJFAPSA-N 440.996 5.567 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@@H](c2cc(Cl)c(OC(C)C)c(Cl)c2)NC(=S)N1 169938039 YTNHCMIEDMDWID-GOSISDBHSA-N 435.376 5.456 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccc2OC)cc1 169940155 OLKKOWRWLOVSIR-HSZRJFAPSA-N 447.462 5.016 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@@H]1c1ccccn1)c1c[nH]c2ccccc12 169992989 GNWZSRQBCNQNTI-OAQYLSRUSA-N 447.853 5.138 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@@H]1c1ccccc1 170050262 UCLVUPGONQPJPI-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(F)cc2)c1 170061346 PJFDMXRERVTVAV-QFIPXVFZSA-N 446.434 5.134 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1cccc(O)c1)c1c[nH]c2ccccc12 170081318 JDWZWYRIXIRHCX-JOCHJYFZSA-N 444.874 5.310 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@H]2c2cccs2)c1 170156840 RXXJCIBYUNXGOR-QHCPKHFHSA-N 447.556 5.882 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)cc1C(C)C 170159577 VPGFMEURNHPLTM-HSZRJFAPSA-N 447.556 5.971 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccs2)ccc1Cl 170166503 SLNYUUBVSRGGOD-LJQANCHMSA-N 431.941 5.321 30 10 IKEE NC1=C(c2nc(-c3cccs3)cs2)C(=O)CN1c1ccc(OCc2ccccc2)cc1 170180935 VWRGVTLXWGJDRG-UHFFFAOYSA-N 445.569 5.167 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1ccncc1)c1cccc2ccccc12 170206645 ATUBYZZGYRMFRT-HSZRJFAPSA-N 442.421 5.296 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2c2ccccc2)cc1 170265417 CNAKXFWTPSWVCJ-AREMUKBSSA-N 437.539 5.911 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccco1 170283960 HBDHKJAORRDYID-IBGZPJMESA-N 428.271 5.678 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccco2)cc1 170286657 NABZPMCBMJYXDM-NRFANRHFSA-N 437.879 5.505 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccco1)c1ccc2c(c1)CCCO2 170286737 KTFMJPLTXOJPGZ-OAQYLSRUSA-N 435.863 5.041 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccc(C)o2)cc1 170303861 OKCARUIUDRJNQP-HSZRJFAPSA-N 431.488 5.467 30 10 IKEE C=CCOc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCCC)c1 170324106 NQVCFJVAVVSKGY-OAQYLSRUSA-N 425.912 5.283 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(Cl)cc(Cl)c2)[C@H]1c1ccc(O)cc1)c1ccccc1 170339981 UBRAQLYUFWTLKR-FQEVSTJZSA-N 440.282 5.482 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cccc(Cl)c2)c1 170365399 OLISCNSXVBZGBG-FQEVSTJZSA-N 439.920 5.583 30 10 IKEE CCCC[C@@H](CC)COC(=O)Nc1c(C#N)cnn1-c1cc(C)c2cc(C)cc(C)c2n1 170508808 IALLWGGMZYXSPB-LJQANCHMSA-N 433.556 5.982 30 10 IKEE C=CCNC(=S)NN=Cc1c(C)n(CCOc2ccc(C(C)(C)C)cc2)c2ccccc12 254346792 QWTWPCQXMXSMLY-UHFFFAOYSA-N 448.636 5.310 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(F)cc2)cc1OC 526485647 GEKHZJAMFBQCBB-XMMPIXPASA-N 444.462 5.162 30 10 IKEE Cc1ccsc1[C@H]1C(c2cccc(OCC(C)C)c2)=C(O)C(=O)N1c1cccc(C#N)c1 526516180 LKWIOLKTKSUBRW-HSZRJFAPSA-N 444.556 6.020 30 10 IKEE CC(C)COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(F)cc2)cc1 526517714 TTYXESNMCOUVRZ-VWLOTQADSA-N 442.490 5.789 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(Nc2ccccc2C#N)=C(Sc2ccccc2)C1=O 526657724 XQTJZSVQLXWAHD-UHFFFAOYSA-N 445.931 5.509 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1/N=C\c1ccc(OCC)cc1OCC 526799841 KQPNPQUXWIWXOV-UQQQWYQISA-N 438.597 5.593 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccc(OC(C)=O)cc1 526821214 GZYVNHSMECIUNB-QQXSKIMKSA-N 444.560 5.484 30 10 IKEE CCCCOc1cccc(/C=N\n2cnnc2SCc2ccc(Cl)cc2Cl)c1 526823472 LMSAOVAKZQUOSP-MSXFZWOLSA-N 435.380 5.938 30 10 IKEE Cc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2ccc(C(F)(F)F)cc2)cc1 586200278 USCNPNWYBFZFAH-UHFFFAOYSA-N 430.451 5.281 30 10 IKEE CCCCCCCCCC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 693675202 YAXDYNVBBLHHEE-AREMUKBSSA-N 430.633 5.866 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2cc(Br)c(Cl)s2)cc1 698985257 HLCBCVPKBBLQEB-CQSZACIVSA-N 441.778 6.479 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@](C)(C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)C1 699643652 KGUHIPFUADUXJJ-KOSHJBKYSA-N 435.609 5.486 30 10 IKEE C=CCC1([C@H](NC)c2c(Cl)cccc2Br)CN(C(=O)OC(C)(C)C)C1 722923016 NDPKQEWPJAPOIG-MRXNPFEDSA-N 429.786 5.176 30 10 IKEE CN(C)c1ccc(C=Nc2ccc3nc(SCc4ccccc4)sc3c2)cc1[N+](=O)[O-] 1084167764 RHGBKZMWTPSQMD-UHFFFAOYSA-N 448.573 6.313 30 10 IKEE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(C=NNc2cc(Cl)ccc2Cl)c1C 1084266782 CBMGCRQCXVZJID-UHFFFAOYSA-N 434.283 5.159 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccccc2OC)SC1=Nc1nc(-c2ccccc2)cs1 1772739308 SRPFYISYAQVRRL-SKYIDQJDSA-N 433.558 5.609 30 10 IKEE CC(=C/c1ccccc1)/C=C1\SC(=NN=Cc2ccccc2O)N(Cc2ccco2)C1=O 1772756827 DQGIMOIJYALVHJ-ZXESJXJZSA-N 443.528 5.438 30 10 IKEE CCCCn1c2ccccc2c2nnc(NN=Cc3c(OCC)ccc4ccccc34)nc21 1772764988 MVAFVZAMMMRABN-UHFFFAOYSA-N 438.535 5.778 30 10 IKEE N#Cc1ccccc1NC(=O)c1nn(Cc2ccccc2)c(-c2ccc(Cl)cc2)c1Cl 1859389752 RINYJXCHEXILNB-UHFFFAOYSA-N 447.325 6.029 30 10 IKEE O=C(/C=C/c1ccc(Br)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 1860725557 SKKJFRGOYFPNDX-FPYGCLRLSA-N 432.623 5.342 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccccc1Br 1860730105 YCAKPKWGTYSNHR-BUHFOSPRSA-N 436.305 5.249 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)c1c(Cl)ccc(Cl)c1OC 1861143763 CRHABRPPMHPEED-SFHVURJKSA-N 445.431 5.767 30 10 IKEE COc1ccc(-c2nc3ccc(C(=O)Nc4cccc(C#N)c4)cc3[nH]2)cc1OCC(C)C 1861859399 ZAWCCJLQPZQDDH-UHFFFAOYSA-N 440.503 5.397 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc2cc[nH]c2c1 1862380729 JXVARMWWVOEMHN-HXUWFJFHSA-N 443.330 5.853 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccccc1F 1862412175 YDATZVUUWTUHFH-WHIIXXIBSA-N 429.438 5.261 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)cc1 1862414137 SINMSUBNGBFOHI-YCASGBEESA-N 439.502 5.684 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1cc(Cl)cc(Cl)c1 1862415593 AYXCJCHUNIKHQR-QGZVFWFLSA-N 426.246 5.260 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCc2cccs2)cc1 1862428980 CPOTXEVLZVEOPI-NRFANRHFSA-N 437.948 5.531 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cc(Cl)cc(Cl)c1 1862451673 LFFZZGQMOAZRBL-BBATYDOGSA-N 438.738 6.024 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C(C)C)cc1OCC 1862454129 PZWZWPGPEWWHNU-OAQYLSRUSA-N 443.927 5.124 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccccc2F)c1 1862489777 GOASGMKGHKHDBG-XMMPIXPASA-N 429.491 5.529 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccccc1Br 1862496394 JKJMULMQCYHJQH-FQEVSTJZSA-N 442.353 5.444 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2cccc(O)c2)cc1 1862514676 LBOMJPJFWGSWNW-DEOSSOPVSA-N 449.547 5.482 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@@H]2c2cccc(F)c2)cc1 1862529700 JFJVOSQDKKYQEN-HSZRJFAPSA-N 449.909 5.820 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccccc1C 1862660994 AVMCRQQICYQFBG-AREMUKBSSA-N 447.619 7.057 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(O)c(O)c1 1862662821 LPLOGZMCAQZBJD-QHCPKHFHSA-N 437.536 5.380 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccc(F)c1 1862663746 WEMOLSBOAGXGSU-HSZRJFAPSA-N 439.527 5.343 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 1862665310 DIVJHAQERQTPBQ-JOCHJYFZSA-N 436.508 5.343 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862669024 MQMURZUXYUDETC-VFNWGFHPSA-N 445.481 6.206 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2)cc1 1862673057 BFTQXTJDLKZUHC-MZNJEOGPSA-N 429.491 5.728 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccc(F)cc2)cc1 1862688398 WAJIXLKJGXDKPA-MWTRTKDXSA-N 431.463 5.174 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccccc2)c1 1862713377 NSADZAKNEAALJX-SANMLTNESA-N 433.507 5.927 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 1862738419 AKGYNMILFWCNHL-HXUWFJFHSA-N 440.883 5.159 30 10 IKEE N#Cc1cccc(N2C(=O)C(Nc3cccc(C(F)(F)F)c3)=C(c3cccs3)C2=O)c1 1863113410 QUHSGRWVEDHFBD-UHFFFAOYSA-N 439.418 5.035 30 10 IKEE Cc1cccc(NC2=C(c3c[nH]c4ccccc34)C(=O)N(c3cccc(C#N)c3)C2=O)c1C 1863131306 GQIICDWZCHVBAR-UHFFFAOYSA-N 432.483 5.053 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2F)C(=O)N(Cc2ccc(Cl)cc2)C1=O 1863638912 FRLOBGNLVYSXFT-UHFFFAOYSA-N 442.962 5.709 30 10 IKEE N#Cc1cc(Br)c(NC(=O)/C=C/c2ccccc2Cl)c(Br)c1 1865908527 WXLOHPZAYUNRJV-AATRIKPKSA-N 440.522 5.389 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N[C@@H](C)c1cc(C)ccc1OCC 1866029385 ACXOFLZOPXPQRF-SANMLTNESA-N 445.732 8.832 30 10 IKEE Cc1ccc(C)c2c1C[C@@H](C)CN2c1cc(Nc2ccc(C#N)cc2)nc(C(C)(C)C)n1 1868355171 AFMCIPKMRVSLDD-QGZVFWFLSA-N 425.580 6.337 30 10 IKEE CCCCCCCOc1cn(CCCOCCCC)c(CN(CC)CCCC)cc1=O 1870409413 RJBNDHCGTHOUFT-UHFFFAOYSA-N 436.681 6.026 30 10 IKEE CCCCCCCCn1cc(OCc2c(C)cccc2C)c(=O)cc1CN(C)CCCC 1870490186 TXXSOPVNYXPGMB-UHFFFAOYSA-N 440.672 6.637 30 10 IKEE CCCCCCCOc1cn(CCCOCC)c(CNc2ccc(CC)cc2)cc1=O 1870830130 DNQLFSLEHPZBKK-UHFFFAOYSA-N 428.617 5.799 30 10 IKEE CCCCCCCOc1cn(CCCN(C)C)c(CNc2ccc(Cl)c(C)c2)cc1=O 1870837458 HDGXDISIIJSEPG-UHFFFAOYSA-N 448.051 5.723 30 10 IKEE CCCCCCCCn1cc(OCCOC(C)C)c(=O)cc1CNc1cccc(C)c1 1870987382 VJARHOKCHWSFPL-UHFFFAOYSA-N 428.617 5.933 30 10 IKEE Cc1cc(OC(=O)CCc2ccc(Cl)cc2)cc2c1C(=O)/C(=C/c1ccccc1F)O2 1871368851 RJHVNXDUJHFUFT-XKZIYDEJSA-N 436.866 5.942 30 10 IKEE COc1ccc(OC)c(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)o2)C3=O)c1 1871380539 UGNSBDLCYZHNIA-QFHNRLETSA-N 446.455 5.149 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2F)C3=O)cc1 1871387795 NYDZVHYOIGUFQK-HAHDFKILSA-N 432.447 5.758 30 10 IKEE CCN(CCc1ccncc1)Cc1c(O)cc(C)c2c1O/C(=C\c1sccc1C)C2=O 1871394119 FJXJPBORYWSWTD-STZFKDTASA-N 434.561 5.146 30 10 IKEE Cc1cc(C)c(COc2ccc3c(c2)O/C(=C\c2cccc(Br)c2)C3=O)cc1C 1871417150 FBBXEOBZRHASKD-MSXFZWOLSA-N 449.344 6.570 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccccc1CC)[C@@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872495500 QJXVUESNTRVGAD-CYFREDJKSA-N 442.625 5.096 30 10 IKEE C[C@H](Oc1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccc3ccccc3c2)cs1 1872759984 DWNHLFWZKDLVDO-YCRPNKLZSA-N 432.932 6.260 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(C(C)(C)C)cc3)n2)cc1 1872762463 NHUQAYUDBKXCCB-SKELBMGJSA-N 442.628 7.340 30 10 IKEE N#C[C@@H](C(=O)c1c(F)cccc1Cl)c1nc(-c2cccc(Br)c2)cs1 1872763553 OUWUFPYYGYWXNK-LBPRGKRZSA-N 435.705 5.855 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@@H](C#N)C(=O)c2cccc(OCC(C)C)c2)n1 1872787926 BGOVTYSFMUIJDP-IBGZPJMESA-N 440.952 5.997 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@H](C#N)C(=O)COc2ccc(C)c(C)c2)n1 1872789190 ZZAANCGKQLTYBC-GOSISDBHSA-N 426.925 5.344 30 10 IKEE CCCCCCCCNC1=C(c2cc(F)c(F)cc2F)C(=O)N(CCCCCC)C1=O 1873063369 VEPJWRWCBNOARA-UHFFFAOYSA-N 438.534 5.714 30 10 IKEE Cc1sc(C2=C(N)N(c3cc(Cl)cc(Cl)c3)CC2=O)nc1-c1ccc(F)cc1 1873529819 MAIVQELDIGQBSY-UHFFFAOYSA-N 434.323 5.281 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(F)c(F)c1)n2CCC 1873620213 ZGGURGJGEDVCAI-UHFFFAOYSA-N 443.542 6.144 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)cc2)cc2c(NCCCCCCCC)ncnc21 1873621535 VXHVKAXQDRVGKY-UHFFFAOYSA-N 439.991 6.295 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1cccc(F)c1)n2Cc1ccccc1 1873656578 FBHHBWYYFVBXJH-UHFFFAOYSA-N 441.510 5.049 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C(C)(C)C)c2)cc2c(N3C[C@@H](C)C[C@@H](C)C3)ncnc21 1873665011 CGUVDKLSZGAPGM-KDURUIRLSA-N 445.611 5.649 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1cccn1C 1874203984 DPBNJTJRNQUQLJ-LSHDLFTRSA-N 436.368 5.053 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccc(F)cc1 1874212753 CPWBPVQWUOKHED-AFUMVMLFSA-N 444.963 5.633 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OCC)cc2)n1/N=C/c1ccc(OCC)cc1 1874303738 PLOFXZHLZJABQS-PCLIKHOPSA-N 436.581 5.217 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccc(C)cc3C)n2/N=C/c2cccn2C)cc1 1874325461 QJOFONPPBURMHZ-CVKSISIWSA-N 445.592 5.295 30 10 IKEE Fc1ccc(CSc2nnc(CCOc3ccccc3)n2/N=C/c2ccccc2)cc1 1874344773 FGVQSEWAONUVLV-YZSQISJMSA-N 432.524 5.213 30 10 IKEE CCCCOc1ccc(/C=N/n2c(Cc3ccc(C)c(C)c3)nnc2SCCC)cc1 1874359373 DKZFPBOKEVKSMR-NLRVBDNBSA-N 436.625 6.049 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2C)n1/N=C/c1ccncc1 1874361408 RZYSBSKREQEYSX-WPWMEQJKSA-N 427.577 5.250 30 10 IKEE CCCSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(OCC)c(OCC)c1 1874367946 RUKOKLKBOOWKND-BUVRLJJBSA-N 444.988 5.780 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3cccs3)n2/N=C/c2ccc(O)cc2O)c1 1874422216 AFSOQXJPWRJXKV-FSJBWODESA-N 436.562 5.209 30 10 IKEE COc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2cccc3ccccc23)c1 1874440368 XPAAEEJDIGEOTF-WPWMEQJKSA-N 444.604 6.203 30 10 IKEE Cc1ccccc1CSc1nnc(CC(C)C)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874488812 KKLZXKYAEWAPOY-FSJBWODESA-N 443.960 5.521 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(C(=O)OC)cc1 1874508804 WLHRTEVFMQYYHA-WGOQTCKBSA-N 444.560 5.345 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(C)c(C)c2)c1OCc1cccc(Cl)c1 1874588706 ZRBZDSDUOJLPMX-MDZDMXLPSA-N 441.354 7.094 30 10 IKEE CCCNC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1cc(Cl)ccc1OC 1874592036 OZJDOZZHSHUINQ-ZHACJKMWSA-N 437.923 5.303 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OCC(=O)Nc1ccccc1C 1874599069 ULRHHWYJRIEUJB-JLHYYAGUSA-N 429.516 5.534 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OCc1ccccc1C 1874601336 FLZWBVMLDIIKED-CPNJWEJPSA-N 448.562 7.536 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1)c1ccc(-c2ccccc2)cc1 1874601513 OWKOALMYHCIFKC-OQLLNIDSSA-N 442.917 7.621 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)cc2)c1 1874604105 VKWDFOJHJAXTGL-LFIBNONCSA-N 439.555 6.096 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1)Nc1ccccc1F 1874615753 PCXFCVSRQGDJAA-KPKJPENVSA-N 444.289 6.046 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c(C)c1C 1874628283 VNYYONCTWUCRGR-KPKJPENVSA-N 441.354 7.094 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)c1C 1874629211 RDJGACBDTFDVHE-YRNVUSSQSA-N 433.479 6.443 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3C)c(Cl)c2)cc1Cl 1874636340 WKZQNPJMGXODRV-JXMROGBWSA-N 427.327 6.786 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3ccc(Cl)c(C)c3)c2)cc1 1874694851 XTJSKNOHSUEADS-NTEUORMPSA-N 434.919 6.091 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2)cc1 1874697593 GKVOHLBHJUIZGB-LFYBBSHMSA-N 437.835 5.372 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)c1)c1ccc2c(c1)OCO2 1874707545 KGMPLUPAWYBYGV-XRSSJUQMSA-N 446.886 5.674 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1)c1ccc(F)c(F)c1 1874711106 SUHHBGGMKYEEDU-RUDMXATFSA-N 443.789 5.642 30 10 IKEE COc1ccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)cc3OC)c2)cc1 1874714446 WJKLDOMSALOOEV-OQLLNIDSSA-N 446.499 5.147 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OC(=O)Cc1ccc(C)c(C)c1 1875110223 AKZNLXHLAPXQJE-ZRDIBKRKSA-N 434.919 6.010 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2)c(C)c1 1875131804 OYBPAZXQJVHWTO-IZZDOVSWSA-N 440.495 5.565 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H](Cc3ccccc3)c3ccccc3)cc2)cc1 1875132126 HAWKYMYLZHSYIV-DIQKFAEUSA-N 446.546 6.823 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OC(=O)COc1ccccc1 1875164155 VXCZIWDSUFWCBM-XYOKQWHBSA-N 438.426 5.244 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc1OC 1875182291 VQSBKCLBLISMNK-BQYQJAHWSA-N 437.319 5.921 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(C)c(C)c3)cc2)cc1C 1875186668 HLYOIPKRLXOGSP-UKTHLTGXSA-N 444.527 5.809 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N(CCC)CCC)n2CC 1875201067 GLFRIQGSRVAPPV-UHFFFAOYSA-N 429.653 6.266 30 10 IKEE C=C([C@H](NC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(C)(C)C 1875647019 RYLILHJHJXKYAU-NSOVKSMOSA-N 445.603 6.068 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)[C@H]1C(C)(C)C 1880431049 YTQZMTYJGQOTIS-CLOONOSVSA-N 443.588 5.351 30 10 IKEE C=CCCCCCC(=O)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1886684872 OVAZZMOJEHQXNK-LJAQVGFWSA-N 444.571 6.584 30 10 IKEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)Nc2cccc(Cl)c2Cl)CC1 1889868854 OBMXFQRTJVNQAD-UHFFFAOYSA-N 447.347 5.437 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@H](CNC(=O)OC(C)(C)C)C1CCCCC1 1922127399 ZJVOJZBJZAWJCP-DNQXCXABSA-N 430.633 5.459 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)C12CC2 1925710876 VNFJODWKORWLCT-HSZRJFAPSA-N 447.963 5.517 30 10 IKEE C=C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)([C@H](C(=O)O)C(C)C)C(C)(C)C 1927528051 IAFQREWMXYNOOA-WNCULLNHSA-N 435.564 5.853 30 10 IKEE CC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1938158447 XZQFJSZEOAGGOK-MAUKXSAKSA-N 437.968 5.525 30 10 IKEE CCCCCCC[C@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 1947485704 UCAIPTVMTWXQPZ-DNQXCXABSA-N 434.665 6.215 30 10 IKEE O=C(N[C@H](C=C1CCC(C(=O)O)CC1)CS)OCC1c2ccccc2-c2ccccc21 1952204191 HYMUASCDJMWIHP-QRWMCTBCSA-N 437.561 5.025 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1C[C@@]2(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1953300261 XXFVVEBFILEUGR-ZDQHKECQSA-N 441.572 5.009 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 1999945238 SAYRABQCOAWUAN-WAIKUNEKSA-N 433.524 5.106 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)[C@H]1C1CC1 2014663790 FSCAPYMCVSGXHK-NTKDMRAZSA-N 427.545 5.110 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@@H](C#N)[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2073118909 ONYYCMFHTBSZNV-APWZRJJASA-N 447.551 5.495 30 10 IKEE C[C@@H](c1ccc(C2CC2)cc1)n1nc(C(C)(C)C)c(/C=N/O)c1I 2079069298 MUHWEDILWJQLKA-OVMKCGGTSA-N 437.325 5.080 30 10 IKEE COc1ccc([C@@H](n2nc(C(F)(F)F)c(C#N)c2Br)C(C)(C)C)cc1F 2080119474 LLMAHFOEJACCTM-CQSZACIVSA-N 434.231 5.319 30 10 IKEE CCC[C@]1(Nc2ccc(C#N)c(Br)c2F)CCN(C(=O)OC(C)(C)C)C1 2105994917 HOLHHBSRMICWLG-IBGZPJMESA-N 426.330 5.051 30 10 IKEE C[C@@H](Nc1cc(Br)cc(F)c1C#N)c1csc(NC(=O)OC(C)(C)C)n1 2114318961 KKLAVNRNUYJDKB-SECBINFHSA-N 441.326 5.436 30 10 IKEE C[C@H]1[C@@H](Nc2cc(Br)c(C#N)cc2F)C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2162386505 CLQVLCODHXHSJW-QRKZQPCCSA-N 438.341 5.048 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CC12CCC(Nc1cc(Br)cc(F)c1C#N)CC2 2163688972 YSOUZMJLLUCKDW-RNHGABITSA-N 438.341 5.098 30 10 IKEE C[C@H](Nc1ccc(Br)cc1C#N)c1ccc(CNC(=O)OC(C)(C)C)cc1 2187545183 ZKZFBUCKOCIQMZ-AWEZNQCLSA-N 430.346 5.519 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCCC)c2c(C)ccc(Br)c2F)C1 2197753934 OKAVDIWIDOKHQY-SFHVURJKSA-N 441.385 5.551 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@](C)(CNC(=O)OC(C)(C)C)C(F)(F)F)NCC 2216270134 CGDQQHYBXWUAAB-DENIHFKCSA-N 444.538 5.221 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)C[C@H](NC(=O)OC(C)(C)C)[C@H](C)CC 2235722752 KLTNOXCLMGRXRW-KPFFTGBYSA-N 437.422 5.108 30 10 IKEE CN[C@H](C#Cc1ccccc1Br)c1cccc(NC(=O)OC(C)(C)C)c1F 2235732777 ZCBORCITRCPSSH-QGZVFWFLSA-N 433.321 5.247 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1sc(Br)c(C)c1C 2265926948 HDDVGUDWPWFMJU-CVEARBPZSA-N 443.451 5.475 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)[C@@](C)(CC(C)C)NC(=O)OC(C)(C)C 2285415134 FJCBOMZJNAPXFH-SIKLNZKXSA-N 437.422 5.108 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)c1c(F)ccc(Br)c1F 2291120479 MNPHBMDBVPHWFQ-FQEVSTJZSA-N 441.268 5.033 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)C(C)(C)[C@H](C)NC(=O)OC(C)(C)C 2296222038 ONBBCBTZGFQCPD-LPHOPBHVSA-N 437.422 5.108 30 10 IKEE COc1ccc(Nc2nc(NN=Cc3ccc(Cl)cc3Cl)nc(C)c2[N+](=O)[O-])cc1 2296646497 DZWJVPQAOYUWLH-UHFFFAOYSA-N 447.282 5.198 30 10 IKEE C=CCOc1c(Br)cc(C=C2N=C(c3ccccc3C)OC2=O)cc1OCC 2297452909 MRUDZENISIYLSZ-UHFFFAOYSA-N 442.309 5.066 30 10 IKEE CN[C@H](C#CC1(OC)CCCCC1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2300846707 KSERETQIRMZJBA-QHCPKHFHSA-N 428.617 5.145 30 10 IKEE C=CCC(CC=C)[C@@H](NCCC)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2301038092 WGRFMUHOJQBYIZ-BJKOFHAPSA-N 429.649 5.148 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OC(=O)c2ccc(C(C)(C)C)cc2)c(OC)c1 2314429717 NAUZMNFQZPHMBO-UHFFFAOYSA-N 444.527 6.117 30 10 IKEE Cc1ccc(C)c(COc2ccc3c(c2)OC(=Cc2cccc(Br)c2)C3=O)c1 2314437249 HEILRQGWOSPDIZ-UHFFFAOYSA-N 435.317 6.261 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1c(C)[nH]c2ccccc12 2318572081 ZPYWSWMYDYJFPZ-UHFFFAOYSA-N 444.391 6.112 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@H](C#N)[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 2321343854 HCOWLAKOCDKXMP-RTBURBONSA-N 445.535 5.249 30 10 IKEE CCCSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1N=Cc1ccccc1 2321376527 JORHVMMKBPDZLO-UHFFFAOYSA-N 449.407 5.981 30 10 IKEE COc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN([C@H]2CCCC[C@H]2C)C4)cc1OC 2322146212 SBCIJSYXTSXHLF-UZLBHIALSA-N 449.547 5.359 30 10 IKEE Cc1cccc(CN2COc3cc(C)c4c(c3C2)OC(=Cc2ccccc2Cl)C4=O)c1 2322217891 NGYDZEPACNJAAR-UHFFFAOYSA-N 431.919 5.925 30 10 IKEE Cc1ccc(C)c(COc2ccc3ccccc3c2C=CC(=O)c2ccc3c(c2)OCO3)c1 2322698742 FWEAMPGCNMCUEH-UHFFFAOYSA-N 436.507 6.660 30 10 IKEE Cc1cc(OC(=O)c2ccc(C(C)(C)C)cc2)cc2c1C(=O)C(=CC=Cc1ccccc1)O2 2322737870 IQLOABBYWMFNPC-UHFFFAOYSA-N 438.523 6.684 30 10 IKEE CCn1cc(C=C2Oc3cc(OC(=O)Cc4cccs4)cc(C)c3C2=O)c2ccccc21 2322867208 NWCPUACRBBTPIX-UHFFFAOYSA-N 443.524 5.795 30 10 IKEE CCCNC(=O)COc1ccc(Cl)cc1C=CC(=O)c1cc(C)c(Cl)cc1OC 2322926341 FGTMFTLSBAQVRL-UHFFFAOYSA-N 436.335 5.112 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OCC(=O)Nc1c(C)cccc1C 2323160714 QGPSCIBOFMVZQS-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(Cl)c1OCc1ccccc1 2323388372 XCYUIGZWHCGGGZ-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc2ccccc2c1 2323400529 SGWUFLWEVSUEKK-UHFFFAOYSA-N 427.431 6.362 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OCC(=O)Nc2ccccc2C)c(Cl)c1 2323701461 PKOBWBLDMHURNF-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc2c(c1)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2323720475 ADIBNEFUCBTMHG-UHFFFAOYSA-N 446.502 6.508 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc([N+](=O)[O-])c1OCc1cccc(Cl)c1 2323812964 JKLVSAIJJVDJOA-UHFFFAOYSA-N 437.879 6.122 30 10 IKEE CCc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(OC(C)=O)c(OC)c3)n2)cc1 2324378454 HYHBVFULWQAGLZ-FQEVSTJZSA-N 446.528 5.196 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)cc1 2324451850 JPQGSMMPYRMBAD-MRXNPFEDSA-N 447.462 5.165 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OCC(=O)Nc2ccccc2C)cc1 2324522512 CTDKUICBHHQBJO-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OCc1cccc(C)c1 2324561352 QZJKKFICOACRME-UHFFFAOYSA-N 448.990 7.447 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCCCCOc3ccc(C)cc3)ccc2C1=O 2324585082 BXRNYCMUXFUPLN-UHFFFAOYSA-N 444.527 6.248 30 10 IKEE Cc1c(OCCOc2cccc3ccccc23)ccc2c1OC(=Cc1ccccc1F)C2=O 2324694047 DGXHSCLIUNTLNJ-UHFFFAOYSA-N 440.470 6.361 30 10 IKEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1cccc(OCC)c1 2325513854 JYYXFZXVFMYHKS-UHFFFAOYSA-N 439.541 5.102 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc([N+](=O)[O-])cc1 2325535559 BFMTUSXRARIPNS-UHFFFAOYSA-N 447.923 5.496 30 10 IKEE CCc1ccccc1OCC(=O)Oc1cccc(C=CC(=O)c2ccc3ccccc3c2)c1 2325700616 ZPKJFTFFEDOKRG-UHFFFAOYSA-N 436.507 6.283 30 10 IKEE O=C(C=Cc1cccc(OC(=O)C23CC4CC(CC(C4)C2)C3)c1)c1ccc([N+](=O)[O-])cc1 2325722542 KVFZGLCYCATSOF-UHFFFAOYSA-N 431.488 5.613 30 10 IKEE O=C(COc1ccc(Cl)cc1)Oc1cccc(C=CC(=O)c2ccc(Cl)cc2)c1 2325730343 IQMSWBGELQFHPO-UHFFFAOYSA-N 427.283 5.874 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)OC(=CC=Cc2ccccc2)C3=O)cc1C 2325738939 ZOKJWYBAMYCVMH-UHFFFAOYSA-N 439.511 5.802 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)[C@H](C)c3ccccc3)c2)c(OC)c1OC 2325787456 ZYOHVSMXBBIQNX-GOSISDBHSA-N 446.499 5.318 30 10 IKEE CCCOc1cccc(C=Nn2c(CCCOc3ccccc3Cl)nnc2SC)c1 2326043219 LYHTWSCICJCUFW-UHFFFAOYSA-N 444.988 5.336 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1ccccc1OCCC 2326417626 IJWKFUGTXBAMHN-UHFFFAOYSA-N 436.625 6.201 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccccc1OCC 2326478204 NGVXZHTUJNHGLZ-UHFFFAOYSA-N 428.989 5.847 30 10 IKEE Cc1cccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2[C@@H](C)c2ccccc2)c1 2330128831 POBSRLOVVXQRPC-IBGZPJMESA-N 447.007 6.566 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccccc3Cl)cc2)cc1 2330910868 NWROINGKVKMMEK-UHFFFAOYSA-N 436.891 5.619 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3ccc(C=CC(=O)c4ccc(Cl)cc4)cc3)c(C)c2c1 2331141890 YCFDQWGLIKUFGE-UHFFFAOYSA-N 429.903 6.553 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OC(=O)Cc1cc(C)ccc1C 2331158213 NRGBSPFNZGOXHO-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2[N+](=O)[O-])cc1 2331170199 FPMRDOJBPQMGDA-UHFFFAOYSA-N 445.471 5.428 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc([N+](=O)[O-])c1OC(=O)c1cccc(OC)c1 2331174339 UHRDXXREVAACIC-UHFFFAOYSA-N 447.443 5.117 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 2331189926 ZCEMBOUGIPLMJO-UHFFFAOYSA-N 441.310 6.507 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)c1cc2ccccc2n1C 2331282193 OGBRXMVQFJOQTF-UHFFFAOYSA-N 439.511 6.001 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C(C)(C)C)cc1 2331385836 LURNOBQOQQXNAT-UHFFFAOYSA-N 439.541 5.057 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3F)c([N+](=O)[O-])c2)cc1 2331417274 BPLAQJCADJMKOJ-UHFFFAOYSA-N 447.462 6.147 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)c1ccc(C)c(C)c1 2331512173 LHVSPHYFCFNAAJ-UHFFFAOYSA-N 438.882 6.220 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2ccccc2Cl)nnc1C1CCC1 2331529343 YWVHBSFFNIHMCL-UHFFFAOYSA-N 438.984 5.938 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3cc(C)cc(C)c3)cc2)cc1C(C)C 2331571805 RORGOZUOANVXGN-UHFFFAOYSA-N 442.555 6.859 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1Cl 2331613423 LRKBYDHYXMWUAP-UHFFFAOYSA-N 428.956 6.737 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)Cc1ccccc1 2331705236 UMDNOQMSNAPZBA-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)c(F)c3F)cc2)cc1C 2331835582 WHUCTBKOOPOIAP-UHFFFAOYSA-N 440.417 5.845 30 10 IKEE CC1=C[C@H](C(C(=O)C=Cc2ccc(O)cc2)C(=O)C=Cc2ccc(O)cc2)[C@H](C(C)C)CC1 2333248778 XPEWDUSWUQJRDO-QEGCZXFXSA-N 444.571 6.207 30 10 IKEE CC#CCN(C[C@@H](NCCC)c1ccc(Cl)cc1Br)C(=O)OC(C)(C)C 2337906846 KDSNZMTVOWDHBH-GOSISDBHSA-N 443.813 5.404 30 10 IKEE N#CC1(Cc2ccc(I)c(Br)c2)CCCCCCC1 2349878660 UBZQVRMSHZMKIG-UHFFFAOYSA-N 432.143 5.850 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OCC)cc3)[C@H]2c2cccs2)cc1 5921624 ZDZMWNOPUYKSFK-QFIPXVFZSA-N 449.528 5.328 30 10 IKEE COc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(OC)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 9152920 IWUJMPKWRQTWMZ-NRFANRHFSA-N 429.520 5.295 30 10 IKEE Cc1ccc(Cl)c2sc(N(CCCn3ccnc3)C(=O)c3ccc(C#N)cc3)nc12 10585349 HPYHHERRUMBXSQ-UHFFFAOYSA-N 435.940 5.063 30 10 IKEE O=[N+]([O-])c1ccc(/C=N/c2cccc(C3=NN(c4ccccc4)[C@H](c4ccccc4)C3)c2)cc1 15773869 OWRGJHANUPNOTG-YXCSQOMQSA-N 446.510 6.701 30 10 IKEE CC(C)Oc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(F)c2)cc1 21234683 UGLLYKIQIGPPAM-PIIWDFAUSA-N 442.534 6.592 30 10 IKEE COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(OC)c2)c1 21251425 IYXCVQFXBBZXLW-XHCCPWGMSA-N 426.516 5.683 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)/C=C\c2ccccc2)[C@@H]1c1ccc(Cl)cc1 33417053 YKPAGHFWHBMDOY-RBNQUJQMSA-N 429.903 5.831 30 10 IKEE N#Cc1c(-c2ccc(Cl)cc2)cc(-c2cccs2)nc1SC/C=C\c1ccccc1 35239767 RFQOJYVERUCWIM-YWEYNIOJSA-N 445.012 7.808 30 10 IKEE O=C1/C(=C/c2c(Cl)cccc2Cl)S/C(=N/c2ccccn2)N1C1CCCCC1 39863057 PKBGSWUNRNATQX-OQJKFJKISA-N 432.376 6.325 30 10 IKEE COc1cccc(/C=C(/C(=O)c2ccc(OC(C)C)cc2)c2nc3ccccc3o2)c1OC 39984745 NBPKBJDLMJFYBF-PGMHBOJBSA-N 443.499 6.056 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 40079400 NNCDRLMPZPBRDX-DEOSSOPVSA-N 449.591 6.150 30 10 IKEE C=CCc1ccccc1OCCn1c(COc2cc(C)ccc2C(C)C)nc2ccccc21 40233484 UHMUTXVSJQZQNH-UHFFFAOYSA-N 440.587 6.855 30 10 IKEE CCc1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=S)Nc2ccccc2)CCC3)cc1 40825367 GQUAFPWIXQZOKP-NHFJDJAPSA-N 447.560 5.397 30 10 IKEE Cc1ccc(CN2COc3cc(C)c4c(c3C2)O/C(=C\c2ccc(N(C)C)cc2)C4=O)cc1 41651547 ZATGSRRJPKUYOU-QFEZKATASA-N 440.543 5.338 30 10 IKEE O=[N+]([O-])c1ccc(/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 59303394 JWIOAPQHMSEJHN-KEBDBYFISA-N 437.702 6.506 30 10 IKEE Ic1ccc(-c2ccc(/C=N/Nc3nc4ccccc4s3)o2)cc1 59514295 FRDRHJISVHLDII-RGVLZGJSSA-N 445.285 5.607 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc3nc(-c4cccc(C)c4)oc3c2)c1 62050169 JPEZUQCOIUGTAU-UHFFFAOYSA-N 425.532 6.893 30 10 IKEE COc1ccc(/C=C2/Oc3c(cc4c(c3C)OCN(CCc3cccs3)C4)C2=O)cc1 103159774 HHMFHMTYWZRTRK-WSDLNYQXSA-N 433.529 5.076 30 10 IKEE Cc1ccc(CN2c3ccccc3C(=O)/C(=C/Nc3ccc(C)c(C)c3)S2(=O)=O)cc1 105285775 JTYSBGWNNOURLW-IWIPYMOSSA-N 432.545 5.098 30 10 IKEE O=C(Nc1ncc(F)cc1Br)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 169856266 TVQCQRCPDIBWDM-UHFFFAOYSA-N 431.105 5.273 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccc(C)c(C)c2)cc1 169924165 HZXQNFLXRRZXFJ-RUZDIDTESA-N 441.527 5.712 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2ccccc2C)c1 169937026 WCMNEWNRHRZIDS-SANMLTNESA-N 449.506 5.940 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(CC)cc3)[C@H]2c2cccc(C)c2)cc1 169969268 AIQMAPVZPMXLEA-RUZDIDTESA-N 441.527 5.739 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2ccccc2OC)=C(N(C)c2ccccc2)C1=O 170059673 YLRWMWFQJFWEQL-UHFFFAOYSA-N 448.607 6.052 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)[C@H]2c2ccco2)ccc1F 170095011 JPKPMVROGRTFNM-QFIPXVFZSA-N 435.451 5.297 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@H]1c1ccc(C)o1 170100878 SPEFYRDNUJECDU-FQEVSTJZSA-N 441.842 5.172 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2Cc2cccs2)c1 170139004 DRXPOCTUEPMWHE-HSZRJFAPSA-N 447.556 5.622 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCOC(C)C)c1 170148161 AVTLHLHZDXMDSC-QHCPKHFHSA-N 433.504 5.135 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1ccc(OC(C)C)cc1 170152476 OHDDSGROIUQRSR-DEOSSOPVSA-N 449.591 6.068 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1cccs1)c1cc2ccccc2o1 170166938 NSZYENQCXDFOCE-NRFANRHFSA-N 433.460 5.412 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccccn2)c1C 170172693 JUPVXYPMYFMMOF-DEOSSOPVSA-N 442.515 5.269 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@@H]1c1ccc(O)c(Cl)c1 170220085 FZKDSERGILCAEQ-NRFANRHFSA-N 443.927 5.166 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2OC)[C@H]1c1cccc2ccccc12 170220724 BPUVLBQMPJQBJN-XMMPIXPASA-N 445.515 5.235 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2)cc1Cl 170223406 MSXYDCWRRHWQBB-NRFANRHFSA-N 437.854 5.271 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2ccccc2)c1 170225624 LRLPPLYDYOAEIX-XMMPIXPASA-N 425.484 5.021 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccc2)c1 170234193 ROQFCCPJOXROJS-DEOSSOPVSA-N 445.490 5.391 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccc(F)cc2)cc1C 170240313 YTSQNDWOBPOMGL-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 170241148 MVZQNYPYOIEYAV-LJQANCHMSA-N 446.261 5.504 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2F)cc1C 170248350 MGWUZDKHSGAHTC-QHCPKHFHSA-N 449.453 5.373 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccco2)c(C)c1 170289529 DOYIQUDVTHWPOH-MWTRTKDXSA-N 429.472 5.003 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccc(C)o2)cc1C 170305681 ZFFZBAFPEKCUAD-QHCPKHFHSA-N 431.488 5.305 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@H]1c1c(C)[nH]c2ccccc12 170312004 NRFFYYQGYCTDEK-XMMPIXPASA-N 446.547 5.562 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1sccc1C 170315607 GTSQHLYVJTYOKQ-ZHRRBRCNSA-N 445.540 5.471 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]1c1cccs1)c1ccccc1 170415963 QTIADYNWACFPLP-IBGZPJMESA-N 443.446 5.545 30 10 IKEE Cc1ccc(Cc2c(C)nc(C)nc2Nc2c(C#N)cnn2-c2ccc3ccccc3n2)cc1 170547523 NJLYQLUERJFTQA-UHFFFAOYSA-N 445.530 5.342 30 10 IKEE Cc1ccc(-c2nc(C#N)c(NN=Cc3ccc(-c4cccc(C(F)(F)F)c4)o3)o2)cc1 254379127 SKTLUQBCDMVWEJ-UHFFFAOYSA-N 436.393 6.247 30 10 IKEE COc1cc(C=NNc2ccc(C(=O)O)cc2)ccc1OCc1cccc2ccccc12 254590077 INHHVNGCVJVUJQ-UHFFFAOYSA-N 426.472 5.572 30 10 IKEE CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)C1=NNc1cccc(C(F)(F)F)c1 254744132 QOCBQVTUUWIKIR-UHFFFAOYSA-N 443.454 5.328 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(=NNC(=S)Nc3c(C)cccc3C)c3ccccc32)c1 263628377 OEODNHSTSCHKBO-UHFFFAOYSA-N 442.588 5.158 30 10 IKEE CC(C)(C)[C@@H](C#N)CNc1c(Br)cc(Br)cc1Br 397598027 REZJSLKTEXMCMG-QMMMGPOBSA-N 438.989 5.572 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(/C=C/C(=O)Cc2ccc(Br)cc2F)cc1 405940216 SOZDJDSHXQDWQU-IZZDOVSWSA-N 434.305 5.760 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3Cl)[C@@H]2c2ccc(F)cc2)cc1 526492102 UDPFBDSVTPLHPT-NRFANRHFSA-N 439.273 6.061 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(F)cc2)c1 526517069 PUWXIFOZWGGBAC-RUZDIDTESA-N 442.490 5.933 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2cccc3ccccc23)[C@@H]1c1cccc(Cl)c1 526611248 UCRWKQLAEUQJJT-VWLOTQADSA-N 436.898 6.422 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1ccc(OCC(C)C)cc1 526808697 OCMLHFBWBNXPOT-QQXSKIMKSA-N 436.625 6.138 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1cccc(OC)c1OCC 526811592 OKFDSUJSGATGPS-MYYYXRDXSA-N 438.597 5.429 30 10 IKEE COc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2cccc(F)c2)cc1 526826302 YRGMCGVQIXSSBY-QQXSKIMKSA-N 432.524 5.191 30 10 IKEE CC(C)[C@@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 698902193 LCPNJLLHYMGCMW-MOPGFXCFSA-N 435.540 5.256 30 10 IKEE CCCN(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(Br)c(Br)s1 698922675 XXYXXKOUZZTDPA-SNVBAGLBSA-N 438.185 5.485 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)C1 698954820 CTOGOOXGJMDTFF-JOCHJYFZSA-N 435.952 5.375 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@](C)(C#N)COCc1ccccc1 710827950 FZAWNTPYCPAUDH-JOCHJYFZSA-N 445.357 5.690 30 10 IKEE COCO[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@H](CC[C@@H]3[C@H](C)CCC(=O)OC)[C@H]12 725237565 JYIDECZSCQDTCO-GSIDXYNSSA-N 446.628 5.323 30 10 IKEE CC1(C)[C@@H]2CC[C@]1(C)[C@@H](C=Nc1ccccc1N=C[C@@H]1[C@@H]3CC[C@@](C)([C@@H]1O)C3(C)C)[C@@H]2O 1565517591 PUXWGFKLGBSUCF-PXFJBRLPSA-N 436.640 5.958 30 10 IKEE C=CC[C@H]1CCCN(C(=O)CSCc2nc(O)c3c(-c4ccccc4)csc3n2)C1 1632374002 XSEIEMUIUXIIII-INIZCTEOSA-N 439.606 5.112 30 10 IKEE O=C1/C(=C/c2ccccc2[N+](=O)[O-])SC(=Nc2ccncc2Cl)N1c1ccccc1 1772737349 OOBKRBXJLDGDEK-MPZUNYIRSA-N 436.880 5.452 30 10 IKEE N#Cc1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)n(Cc2cccc(Cl)c2)n1 1859389043 YJKNZZOUDKRCHS-UHFFFAOYSA-N 447.325 6.029 30 10 IKEE Cc1ccc(C)c(-c2csc(SCC(=O)Nc3sc4c(c3C#N)CCC4)n2)c1 1860817109 XHPZXUAEMYUYKB-UHFFFAOYSA-N 425.604 5.580 30 10 IKEE N#Cc1c(NC(=O)CSc2nc(-c3cc(F)ccc3F)cs2)sc2c1CCC2 1860817759 YNYTTWXNZNSWNJ-UHFFFAOYSA-N 433.530 5.241 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc(Cl)cc1 1861052382 FLTBJEBTBLOHAW-QFIPXVFZSA-N 432.967 5.297 30 10 IKEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 1861669150 WAYQDAZYCVTGKS-GOSISDBHSA-N 425.013 5.259 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(C)cc2C)n(-c2ccc(Cl)c(Cl)c2)n1 1862354258 URMMPNPDSAXIDE-UHFFFAOYSA-N 440.374 6.277 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(Cl)c(Cl)c1 1862386020 DEJOKESNTKEFJD-INIZCTEOSA-N 445.129 5.898 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2ccc(F)cc2F)cc1 1862395737 XFEIDKFUCZFXCQ-QRQCRPRQSA-N 427.491 5.684 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1Cl)c1ccc(F)cc1F 1862416483 GWTXVKPVMCILIR-HXUWFJFHSA-N 431.866 5.529 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc(C)c1 1862429519 PENMPYNPHIIGLF-QHCPKHFHSA-N 439.983 6.587 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccccc1F 1862430328 IFTWVYZBPMVQKF-AOMKIAJQSA-N 443.946 6.416 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(C(C)C)cc1 1862434371 XQMDIWPCKYCQHX-QHCPKHFHSA-N 439.983 6.622 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCCN2CCCC2)cc1 1862474295 MMTSOMZJHDXORF-VWLOTQADSA-N 446.591 5.012 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2cccc(Cl)c2)cc1 1862477356 WFMGKFJGFUTAFB-QHCPKHFHSA-N 435.951 6.117 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862478647 NAIHNXZNDBLMGE-UQBPGWFLSA-N 441.527 5.733 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OCCCC)cc1 1862481663 CTAVYSRNZZVLSS-VWLOTQADSA-N 449.591 6.333 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@H](C)CC)cc1 1862497240 FDFPBSURIYKQGR-CJFMBICVSA-N 449.591 6.249 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1cccc2ccccc12)c1cccc(Br)c1 1862528243 RLOAWFBCKHYWTI-OAQYLSRUSA-N 448.316 5.343 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(C(C)C)cc1 1862614271 BHSFDGKRQLMBTO-XMMPIXPASA-N 433.592 6.342 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccccc1 1862614690 FHUGPMORCTWGFR-NOZRDPDXSA-N 447.619 6.921 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(F)c2)cc1 1862615519 KGLZQKQLOJTWAY-QFIPXVFZSA-N 433.479 5.495 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccccc2C)cc1F 1862639104 QNDQOHUXCYPHTJ-HSZRJFAPSA-N 449.453 5.060 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 1862662109 HNDSEURZKLAQET-IQGLISFBSA-N 443.518 6.289 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc2c(c1)CCCN2C 1862667529 DMSWCQOTGHONKJ-BVZFJXPGSA-N 446.591 5.569 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc(OC)c1 1862672743 GDWYQOSJJTUDFH-NZQKXSOJSA-N 439.527 5.772 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862672982 JFLVHHIVPKWQDO-HJPURHCSSA-N 431.463 5.174 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccccc2C)cc1 1862688304 VYQUJCQNXDFVPC-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862706118 OEZDBLCUOOTYCT-IBGZPJMESA-N 434.319 5.380 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cccc(O)c1)c1ccc(-c2ccccc2)cc1 1862721914 LVRSQIRNEBMOQA-RUZDIDTESA-N 439.511 5.580 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccc(OC)c1 1862724601 PTLYIQKGWTZBCA-IQGLISFBSA-N 441.527 5.739 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(CC)cc2)=C(c2cc(C)ccc2C)C1=O 1863394486 KYZXRWSOYWZDQU-UHFFFAOYSA-N 432.608 6.418 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)c(F)c2)=C(c2ccccc2Cl)C1=O 1863447997 VCPCEZMOKVCUTO-UHFFFAOYSA-N 446.925 6.171 30 10 IKEE Cc1nc(Nc2cccc(C#N)c2)cc(N2CCC[C@H](C(=O)CCCc3ccccc3)C2)n1 1868466859 GMYUTSYYEDSIKY-QHCPKHFHSA-N 439.563 5.209 30 10 IKEE CC(C)c1ccc(-n2nnc(C#N)c2NC(=O)CCCOc2ccc(C(C)(C)C)cc2)cc1 1870145944 WZVSQYHAHVOBDS-UHFFFAOYSA-N 445.567 5.358 30 10 IKEE CCCCCCCCCCn1cc(OCC(C)C)c(=O)cc1CSc1ccc(C)cc1 1870260158 CHGOZVJKQCBSGY-UHFFFAOYSA-N 443.697 7.625 30 10 IKEE CCCCCCCCn1cc(OCC2CCCCC2)c(=O)cc1CN1CCC(C)CC1 1870483428 RXPFJIILHSAHRJ-UHFFFAOYSA-N 430.677 6.400 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(F)cc2)c(=O)cc1CN(CC)CCCC 1870625507 HSJOCAAFIIAFJV-UHFFFAOYSA-N 444.635 6.549 30 10 IKEE C=CCOc1cn(CCC(C)C)c(CNc2ccc(Cl)c(C(F)(F)F)c2)cc1=O 1870809252 RVKYOJCBDNWBNT-UHFFFAOYSA-N 428.882 5.744 30 10 IKEE C#CCOc1cn(Cc2cccc(C)c2)c(CNc2ccc(Cl)c(Cl)c2)cc1=O 1871004398 CQXACTMGCDPGQE-UHFFFAOYSA-N 427.331 5.136 30 10 IKEE O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(COc2ccccc2F)o1 1871279676 GVYIJGXREWHUGK-UHFFFAOYSA-N 447.306 6.288 30 10 IKEE CCCCC[C@@H](CC)N1COc2ccc3c(c2C1)O/C(=C\c1cccc([N+](=O)[O-])c1)C3=O 1871347771 UWLGETDVMFKQEU-NLKUQUHMSA-N 436.508 5.722 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(C(C)C)cc1)C3=O)CN(Cc1ccccc1F)CO2 1871352448 JPVHSZLFZWZXMN-ROTLSHHCSA-N 443.518 6.226 30 10 IKEE Cc1cc(OC(=O)c2cccc(Br)c2)cc2c1C(=O)/C(=C/c1ccccc1)O2 1871364831 VNEHPWWWIVRBBI-JAIQZWGSSA-N 435.273 5.593 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OC(=O)c4cccc([N+](=O)[O-])c4C)c3C)C2=O)c1 1871373410 FFLZGRNWZIYLBO-XKZIYDEJSA-N 445.427 5.056 30 10 IKEE O=C1/C(=C/c2ccccc2Cl)Oc2cc(OC(=O)c3cccc4ccccc34)ccc21 1871378032 RPICGTRCPBUSMA-OYKKKHCWSA-N 426.855 6.329 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OC(=O)c3cccc(OCC(C)C)c3)ccc2C1=O 1871379004 FQLLARCTJRIVNT-XKZIYDEJSA-N 434.513 5.927 30 10 IKEE CCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2)C3=O)cc1 1871379608 GMCZKIWDLZKKHY-GSCASXBJSA-N 426.468 5.629 30 10 IKEE Cc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccc(Cl)cc1)C2=O 1871408568 CQTCFXQGXWJPJF-PGECNJAHSA-N 447.918 5.979 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(F)c2)C3=O)c1 1871411217 GVIMWCNOVNFGLH-DNNAEVNTSA-N 445.490 5.773 30 10 IKEE CCc1ccc(NC(=O)[C@H](CC)Oc2ccc3c(c2C)O/C(=C\c2ccncc2)C3=O)cc1 1871426715 WUZSETIUADAMLF-ZKFYFQMZSA-N 442.515 5.365 30 10 IKEE Cc1ccc(NC(=O)CCOc2cc(C)c3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871431986 WWAKAZQRECNNSC-UCQKPKSFSA-N 431.463 5.466 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OCc3ccc(C(=O)OC(C)C)o3)c2C)C1=O 1871439443 ZLYGMPMSJFNIRE-QRVIBDJDSA-N 432.472 5.657 30 10 IKEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)CCC 1871845553 DEVPULPNJZQPDM-QHCPKHFHSA-N 444.597 5.060 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cccc(C)c1)[C@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872267281 FNGNHVYNVGOEBS-DVECYGJZSA-N 442.625 5.232 30 10 IKEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872450746 JYRUWUVKJGWBOM-DEOSSOPVSA-N 442.625 5.411 30 10 IKEE N#C[C@H](C(=O)Cc1cccc2ccccc12)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872762551 PXCSNZSKHBAEQT-LJQANCHMSA-N 437.351 6.689 30 10 IKEE CCOc1ccc(CC(=O)[C@H](C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 1872764501 OOONOATZESLYNT-SFHVURJKSA-N 441.350 5.390 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(Cl)c(Cl)c3)n2)cc1 1872767926 FCVCUGUMXZVYCG-INIZCTEOSA-N 431.344 5.935 30 10 IKEE COc1c(Cl)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)Cc2ccccc2F)n1 1872778941 XYSULQWMODFYLV-AWEZNQCLSA-N 435.307 5.684 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@H](C#N)C(=O)c3cccc(OCC(C)C)c3)n2)c1C 1872780117 ACEYKSBIXFHKAU-JOCHJYFZSA-N 432.589 6.569 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)c3cc(Cl)ccc3Cl)n2)cc1C 1872787688 PILXMPYSJNNDPS-INIZCTEOSA-N 431.344 6.232 30 10 IKEE C=CCc1ccccc1OCc1ccc(C(=O)N(CC(=O)OCC)Cc2ccccc2)cc1 1872870520 FKPYCCXSDGEZLY-UHFFFAOYSA-N 443.543 5.200 30 10 IKEE C=CCN1C(=O)C(Nc2cccc3ccccc23)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873276416 GJJGMWCKTBXGHR-UHFFFAOYSA-N 430.507 5.885 30 10 IKEE C=CCSc1nnc(NC(=O)CCCOc2ccc(Cl)cc2Br)s1 1873434530 CCOBHQZAPCXPSH-UHFFFAOYSA-N 448.795 5.030 30 10 IKEE CCCCCOc1ccc(/C=N/Nc2oc([C@H]3C[C@H]3c3ccccc3)nc2C#N)cc1OC 1873470491 JFXKWLZLXMVNFS-RUDJBYLXSA-N 444.535 5.841 30 10 IKEE CCC(CC)c1nnc(S)n1/N=C/c1ccc(OCc2ccccc2Cl)c(OC)c1 1873502124 ANWQEYSEOXIJOB-ZMOGYAJESA-N 444.988 5.594 30 10 IKEE C=C(C)CSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1ccccc1 1874205979 DMJQMNBCJITNPB-FOKLQQMPSA-N 433.364 5.714 30 10 IKEE CCSc1nnc(COc2ccccc2Cl)n1/N=C/c1c(Cl)cccc1Cl 1874267286 PHLNCXALSSABSQ-LSHDLFTRSA-N 441.771 5.812 30 10 IKEE COc1ccc(CCc2nnc(SCc3ccccc3)n2/N=C/c2cccc(C)c2)cc1 1874305811 PROZZQYUZVVIFI-OVVQPSECSA-N 442.588 5.555 30 10 IKEE Cc1ccccc1CSc1nnc(COc2cccc(C)c2C)n1/N=C/c1ccccc1 1874321983 UWOWKIIIQKAPJQ-JVWAILMASA-N 442.588 5.957 30 10 IKEE Cc1ccc(Cc2nnc(SCCCO)n2/N=C/c2c(Cl)cccc2Cl)cc1C 1874359218 VRLJDFAEIKNDDS-ZMOGYAJESA-N 449.407 5.149 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(O)cc1 1874364677 PCAYRYRNBOUYOQ-AFUMVMLFSA-N 434.952 5.787 30 10 IKEE CCSc1nnc(-c2ccco2)n1/N=C/c1ccc(OCc2ccc(C)cc2)c(OC)c1 1874465115 UFXSODQGUNCNGC-MFKUBSTISA-N 448.548 5.428 30 10 IKEE CCOc1cc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CCC2)ccc1O 1874497763 ZBUYWPBQYHPZLE-ZMOGYAJESA-N 442.972 5.478 30 10 IKEE COc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C2CCC2)cc1O 1874498369 FHTGVSRTXQGTQK-BHGWPJFGSA-N 446.935 5.227 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccc(O)c(OC)c1 1874526377 YSWHHKDRMPAHBK-LSHDLFTRSA-N 437.352 5.036 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1C 1874573694 AGMQCCXRSKPRGM-BUHFOSPRSA-N 442.942 7.285 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccccc2OCc2ccc(C)cc2)cc1OCCC 1874576275 GDYWJMQENBJXSG-JQIJEIRASA-N 444.571 7.048 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(F)cc2)c(C)c1 1874583958 OQAZYYIPHMTDEO-IZZDOVSWSA-N 437.898 6.010 30 10 IKEE CCOc1c(/C=C/C(=O)c2cc(Cl)ccc2OC)cc(Br)cc1OC 1874592117 DMDSYJJCMAEZJI-FNORWQNLSA-N 425.706 5.415 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3ccc(Cl)cc3)c2)cc1 1874596442 WAYGQLKTCANJSA-MKMNVTDBSA-N 436.935 6.613 30 10 IKEE C=CCOc1c(Br)cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1OCC 1874604132 XBMWCROOWBKJKI-FMIVXFBMSA-N 441.365 6.188 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OCc1cccc(Cl)c1 1874613087 BNIUWRYPXFQHCU-PKNBQFBNSA-N 427.327 6.867 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(OC)c1OCC(=O)N(CC)CC 1874620144 LIKCESAUCBZLDX-JLHYYAGUSA-N 439.527 5.015 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Br)c1OCCO 1874635331 LZDWYZYGBIFQTL-VOTSOKGWSA-N 433.342 5.040 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)ccc1OCc1ccccc1Cl 1874635888 YMSTXUAEPGKGGD-SDNWHVSQSA-N 448.990 7.430 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)cc2)cc1Cl 1874636148 LYFHAGDMINZVNB-UXBLZVDNSA-N 449.934 5.879 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3ccc(C)c(C)c3)c2)cc1OC 1874694268 UUZAMNAYPJXBRG-FMIVXFBMSA-N 446.499 5.201 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc(Cl)cc3Cl)c2)c1 1874703311 JNIMITUCAOSILM-DHZHZOJOSA-N 425.311 6.726 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(F)c(F)c3)c2)cc1F 1874706914 GKKVSQLGVBMVGE-FPYGCLRLSA-N 442.389 5.236 30 10 IKEE COc1ccccc1CCC(=O)Oc1cccc(/C=C/C(=O)c2cccc3ccccc23)c1 1874708185 QRLXOQUVPASZLV-FBMGVBCBSA-N 436.507 6.283 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)cc1C 1874714417 VEMPQYPIUICCFY-YRNVUSSQSA-N 435.863 5.980 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)CCc1ccccc1 1875099229 XHBKVFLJEHFGSQ-LFIBNONCSA-N 440.539 6.008 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(OC)c3)c(Cl)c2)cc1 1875106588 FUUFHDLQFMKMQM-RVDMUPIBSA-N 448.946 6.807 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c(Cl)c2)c(C)c1 1875131716 KUAUJQSSWDUUSB-JXMROGBWSA-N 435.863 5.980 30 10 IKEE O=C(COc1cc(F)ccc1F)Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1 1875154055 LVFISWOEYIDXTB-XNTDXEJSSA-N 444.433 5.999 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)c1cccc(OC)c1 1875158699 JAHJIKJHPGENST-NTEUORMPSA-N 446.474 5.687 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Br)c1OC(=O)CC(C)(C)C 1875158993 WSOQLESXCRUHFH-BJMVGYQFSA-N 449.316 5.835 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1C 1875175771 GASNQRJMVYQCMT-YBFXNURJSA-N 432.519 7.086 30 10 IKEE CCCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc1OC 1875186551 ANWOOWFXBDMCSD-ZHACJKMWSA-N 426.509 5.321 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)cc3)cc2)c2ccccc12 1875191155 ZGJABNTUMWGPDY-GHRIWEEISA-N 436.507 6.201 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3C)c(OC)c2)cc1C 1875191292 GVGCXUKOVVOFCY-ZRDIBKRKSA-N 430.500 5.744 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N(CCC)CCC)n2CCCOC 1875221990 OTNUQSIQRDQDGO-UHFFFAOYSA-N 445.652 5.502 30 10 IKEE N#Cc1ccc(OCc2cc(Cl)ccc2I)c(Br)c1 1889048037 ILXCQBLZFVUWEB-UHFFFAOYSA-N 448.485 5.158 30 10 IKEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1ccc(-c2cccc(Cl)c2)cc1 1891699445 WZEUFOWUPZKVCV-UHFFFAOYSA-N 443.852 5.838 30 10 IKEE CCCCCCCC[C@@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCC 1947481488 PXQMSLZCGRYFBF-BJKOFHAPSA-N 434.665 6.215 30 10 IKEE C=CC1(C[C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)CCC1 2002626740 AVXIZQRCBAYKAC-ACIOBRDBSA-N 430.633 5.600 30 10 IKEE CC1(C)OB(c2cc(Cl)cnc2N(Cc2ccccc2)C2CCCCC2)OC1(C)C 2004973873 BGDACPPIBQUVSE-UHFFFAOYSA-N 426.797 5.374 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@]1(CCC)CCCCN1C(=O)OC(C)(C)C 2007550996 OFEIEESKNDDWGO-JYFHCDHNSA-N 430.633 5.697 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)c(F)c3)=C(O)C(=O)N2Cc2cccs2)s1 2033813198 KPJKUUZSHBNEEV-SFHVURJKSA-N 431.485 5.175 30 10 IKEE CCCCCCCCCCCCC(=O)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2034439256 ZORUXNQOJCSZIO-XMMPIXPASA-N 447.660 6.977 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)([C@H](N)CC#CC2CCCCC2)C1 2041893607 MKNPQJKUBMZWLO-SQHAQQRYSA-N 440.628 5.132 30 10 IKEE O=C(C=Cc1c(F)cccc1Cl)c1c(O)nc2ccc(Cl)cc2c1-c1ccccc1 2053514733 VFQDPWUHNVOCHI-UHFFFAOYSA-N 438.285 6.949 30 10 IKEE C[Si](C)(C)C#CC(=O)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071345502 PKBXAZANWDMYDZ-HHHXNRCGSA-N 444.603 5.328 30 10 IKEE O/N=C/c1c(C(F)(F)F)nn([C@H](c2ccc(C3CC3)cc2)C2CCC2)c1Br 2079073325 GMVYKEFFFGFGIW-CRUCUMJDSA-N 442.279 5.739 30 10 IKEE CCCc1ccc([C@H](C2CC2)n2nc(C(F)F)c(C#N)c2I)cc1 2079906815 APDHPHIUVCEQKX-MRXNPFEDSA-N 441.263 5.249 30 10 IKEE CC(C)(C)[C@@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C2CCC2)c(C=NO)c1Cl 2080007718 QAGAZOWOVZEZFO-QGZVFWFLSA-N 431.861 6.406 30 10 IKEE N#Cc1c(-c2ccccc2)nn(-c2cc(F)c(F)cc2Br)c1Br 2080356726 OXOBGWURJQHELJ-UHFFFAOYSA-N 439.057 5.214 30 10 IKEE C#CCN(C[C@@H](NCCC)c1cc(Cl)cc(Br)c1)C(=O)OC(C)(C)C 2081558699 AITNGSZUMSMCMT-QGZVFWFLSA-N 429.786 5.014 30 10 IKEE CC(C)N[C@@]1(C#N)C[C@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)CCC1(C)C 2099186494 XKNOEKUEVRKYPF-XRKRLSELSA-N 446.683 5.460 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CC[C@@H](P(C)(C)=O)C1 2104502586 XXKRWMNDDRWIRF-KUHUBIRLSA-N 441.306 5.628 30 10 IKEE CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)Nc1cc(Br)cc(F)c1C#N 2107450831 KYRGRAKURYDNHI-LJQANCHMSA-N 428.346 5.201 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1cc2sccc2s1 2140590615 XZPIGQADDPVHEX-AWEZNQCLSA-N 449.395 6.732 30 10 IKEE CC(C)CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)c1cc(Br)ccc1C#N 2174807569 DDUOTKVOWNYNBX-GOSISDBHSA-N 436.394 5.183 30 10 IKEE C#CCC1(NC(=O)c2ccc(Br)c(NC(=O)OC(C)(C)C)c2)CCCCC1 2180049957 ZLQHTVAULGOAEG-UHFFFAOYSA-N 435.362 5.252 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(F)c(C(=O)Nc2ccc(Br)c(C#N)c2)c1 2180960078 JMERUHQUEKSIJW-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE CC(C)(C)OC(=O)NC(C)(C)[C@@H]1CCCCN1c1cc(Br)c(C#N)cc1F 2208032072 FTYPZBQARKMFTR-KRWDZBQOSA-N 440.357 5.122 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(C)cc(Br)c1 2237249765 PZWZFQPTPDQYIX-SFHVURJKSA-N 431.330 5.773 30 10 IKEE C=CCCC1([C@@H](C[C@H](C)COCc2ccccc2)NCCC)CN(C(=O)OC(C)(C)C)C1 2254998291 DOSXOKSMFZKMPP-LADGPHEKSA-N 444.660 5.801 30 10 IKEE C=CC[C@]1(COc2nc(Cl)ncc2Br)CCCCN1C(=O)OC(C)(C)C 2272227532 HRNJQJJXGXFPBJ-GOSISDBHSA-N 446.773 5.007 30 10 IKEE O=[N+]([O-])c1ccccc1C=CC=Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1 2293185116 DXECUDDQLCOJBO-UHFFFAOYSA-N 438.270 7.126 30 10 IKEE Cc1ccc(C(O)=C2C(=O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 2296280448 PGFHTKZSXLUQRR-HSZRJFAPSA-N 431.919 5.313 30 10 IKEE COc1cc(OC)c(OC)cc1C=C1Oc2cc(OCc3ccc(F)cc3)ccc2C1=O 2296868100 UUHIEPDWWKMOLD-UHFFFAOYSA-N 436.435 5.047 30 10 IKEE COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)C(=Cc3ccc(OC(F)F)cc3)C[C@@H]12 2297480252 SDYMIDMUFXWPCF-INADMSBESA-N 438.514 6.415 30 10 IKEE COc1cc(C=C2C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc2c1OCO2 2297505011 FBJLPYMCBZFUML-YTBZPGIMSA-N 436.592 6.419 30 10 IKEE O=C1C(=Cc2ccccc2[N+](=O)[O-])SC(=Nc2cccnc2Cl)N1c1ccccc1 2314539966 FVZDPDALHGTSPR-UHFFFAOYSA-N 436.880 5.452 30 10 IKEE O=C1C(=CC=Cc2ccccc2[N+](=O)[O-])SC(=Nc2nccs2)N1c1ccccc1 2314542646 NQCINMDHEBSMJH-UHFFFAOYSA-N 434.502 5.416 30 10 IKEE C[C@@H]1[C@@H](C)[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)CCN1C(=O)OC(C)(C)C 2321344376 JVMAUDNQUWHNSJ-OJLQRUNKSA-N 447.551 5.495 30 10 IKEE Cc1cc(OCC(=O)OC(C)(C)C)cc2c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O2 2321736685 NVLIWJKLKMUEGI-UHFFFAOYSA-N 435.303 5.639 30 10 IKEE Cc1ccc(OCCCc2nnc(S)n2N=Cc2cccc(Oc3ccccc3)c2)cc1 2322166930 CSCFSLZNAJJZIK-UHFFFAOYSA-N 444.560 5.561 30 10 IKEE C[C@H](NC(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccccc1)c1ccccc1 2322545498 IPXWSEYQSIHPIO-NRFANRHFSA-N 435.523 5.992 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C)cc2)c1OCC(=O)Nc1cccc(C)c1C 2322605068 FCRWNSAQOPTEOU-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE Cc1c(OC(=O)Cc2ccccc2)ccc2c1OC(=Cc1ccc(Cl)cc1Cl)C2=O 2322884668 HRMMBZIEJQITNQ-UHFFFAOYSA-N 439.294 6.066 30 10 IKEE Cc1ccc(COc2ccc(Cl)cc2C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1 2322961448 WSAUTQWYQMKAKE-UHFFFAOYSA-N 432.991 7.729 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3ccccc3F)c2)cc1 2323078574 NUVMJKASDFTRAP-UHFFFAOYSA-N 431.507 6.082 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1C 2323078901 VJESWGCFQRHESA-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE O=C(COc1cccc(C=CC(=O)c2ccc(Br)cc2)c1)Nc1ccccc1 2323086118 YQRHYEAKSDUCCQ-UHFFFAOYSA-N 436.305 5.363 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OCC(=O)Nc2ccc(C)c(C)c2)c1 2323177174 DIVDUOLAQYQQLS-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE CCCOc1c(Cl)cc(C=NNc2nc(O)cc(-c3ccccc3)n2)cc1OCC 2323259483 NJYKWIZTHSYTHE-UHFFFAOYSA-N 426.904 5.136 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)c3cccc(OCC(C)C)c3)ccc2C1=O 2323579800 AOCGPJGNTYHCHM-UHFFFAOYSA-N 428.484 5.865 30 10 IKEE Cc1ccc(COc2ccc(C=CC(=O)c3cccc(Br)c3)cc2Cl)cc1 2323652962 WELCSKTYEGBVQT-UHFFFAOYSA-N 441.752 6.886 30 10 IKEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCCc1ccccc1 2323674589 JIWWCSKWCDWZIH-UHFFFAOYSA-N 437.879 5.774 30 10 IKEE CCn1cc(C=C2Oc3cc(OC(=O)C=C(C)C)cc(C)c3C2=O)c2cc(OC)ccc21 2323720139 PYVPMUPLCGJXIF-UHFFFAOYSA-N 431.488 5.466 30 10 IKEE C=CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C)cc2)C3=O)cc1 2323865396 XCGRJCSBOYCMSM-UHFFFAOYSA-N 426.468 5.704 30 10 IKEE CCCC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccs2)C3=O)cc1 2323936988 ZLKUJCMACBEOHS-UHFFFAOYSA-N 448.496 5.597 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OCc3cccc(F)c3)c([N+](=O)[O-])c2)cc1 2324066422 ISQJGVLUHQWWLT-UHFFFAOYSA-N 433.479 6.507 30 10 IKEE CCc1ccc(OCCCOc2ccc3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)cc1 2324653735 GKXDZZALJZBHTC-UHFFFAOYSA-N 443.543 5.779 30 10 IKEE COc1ccc(OCCOc2cc(C)c3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2324677068 KEEMSOFKJITEMU-UHFFFAOYSA-N 436.891 5.731 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1ccc2c(c1)OC(=Cc1ccc(C)cc1)C2=O 2325005138 OVKVZVZFNPMXJY-UHFFFAOYSA-N 427.500 5.500 30 10 IKEE C[C@@H](Oc1ccc2c(c1)OC(=Cc1ccccc1Cl)C2=O)C(=O)Nc1ccc(C#N)cc1 2325301736 MTXRKRMIKIOSKR-OAHLLOKOSA-N 444.874 5.234 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(OC)c(OC)c1 2325532669 IGGNCXCVKURAIN-UHFFFAOYSA-N 444.988 5.466 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccc(OC)cc3)c2)cc1 2325704145 OQSOZMQURMKAEP-UHFFFAOYSA-N 430.500 5.310 30 10 IKEE Cc1cc(Cl)ccc1NC(=O)COc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O 2325716145 QYYSMMQITIFHBU-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE O=C(C=Cc1cccc(OC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)c1)c1ccc(F)cc1F 2325726448 WADLHPYURPGDCY-RTWAWAEBSA-N 438.857 6.223 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2cccc(OC(=O)C34CC5CC(CC(C5)C3)C4)c2)c1C 2325756922 MDIQGDKHSQTWLX-UHFFFAOYSA-N 442.599 6.938 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)CCCOc3c(C)cccc3C)c2)cc1C 2325760409 AKFOEMGPKDAXED-UHFFFAOYSA-N 442.555 6.581 30 10 IKEE CCSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1ccccc1Cl 2326320949 WMAMWYZZQLRFOO-UHFFFAOYSA-N 428.989 5.500 30 10 IKEE Cc1cc(OCc2nnc(SCc3ccccc3)n2N=Cc2ccccn2)ccc1Cl 2326524926 JTEDPEYNQZWRGV-UHFFFAOYSA-N 449.967 5.388 30 10 IKEE CCOc1cc(C=Nn2cnnc2SCc2c(F)cccc2Cl)ccc1OC(C)C 2326561728 RRRLFJFCJIZEBJ-UHFFFAOYSA-N 448.951 5.431 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccc(OC)c(OCC)c1 2326592342 VDSISVISUYQGFR-UHFFFAOYSA-N 438.597 5.429 30 10 IKEE Cc1cccc(CSc2nnc(CCCOc3ccccc3)n2N=Cc2ccccc2)c1 2328724485 CJEOOCPFSWLHGF-UHFFFAOYSA-N 442.588 5.773 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1cc(Cl)ccc1O 2329422051 UVQBCLRGUWTCSX-UHFFFAOYSA-N 426.973 5.395 30 10 IKEE C=C(C)CSc1nnc(Cc2ccccc2F)n1N=Cc1ccc(C(F)(F)F)cc1 2329740661 LWLPNJNCLFJJGJ-UHFFFAOYSA-N 434.462 5.577 30 10 IKEE CCCSc1nnc(Cc2ccccc2)n1N=Cc1cc(Br)ccc1F 2330499910 YBXDXADTXWVKJO-UHFFFAOYSA-N 433.350 5.155 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2ccccc2)cc1Cl 2330694327 WNVGUQWPFIZWKE-UHFFFAOYSA-N 439.371 6.426 30 10 IKEE Fc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2[C@H]2CCCO2)c(F)c1 2330994436 BAAWJHYEPYFQOO-GOSISDBHSA-N 434.899 5.236 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CCCC2)c1O 2331077638 OCHCXJIJYFDORA-UHFFFAOYSA-N 442.972 5.478 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccco3)n2N=Cc2cn(C)c3ccccc23)cc1 2331167933 SHZXUKNLHUYQSQ-UHFFFAOYSA-N 427.533 5.513 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC(=O)CCCC 2331251577 YVFXCSVASBDWIZ-UHFFFAOYSA-N 447.358 6.722 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1cccc(F)c1 2331411951 VIJNZMRGQUIEOI-UHFFFAOYSA-N 437.371 6.196 30 10 IKEE Cc1ccccc1CSc1nnc(CC(C)C)n1N=Cc1ccc(Br)cc1 2331431356 VMRHRDAZVOGBQX-UHFFFAOYSA-N 443.414 5.722 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC(=O)CC(C)(C)C 2331449156 RVFUCCHRJIVYRQ-UHFFFAOYSA-N 436.504 5.390 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 2331498023 ZDHUMPHGWSAUMH-UHFFFAOYSA-N 447.462 5.902 30 10 IKEE O=C(CCCOc1ccccc1)Oc1ccc(C=CC(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 2331529321 WYUBHVKLGSPKCY-UHFFFAOYSA-N 449.434 5.395 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc1[N+](=O)[O-] 2331757311 CQWPOSHKSVODKI-UHFFFAOYSA-N 431.872 5.557 30 10 IKEE C=CC[C@@H](Oc1ncc(Br)c2ccsc12)[C@H]1CCN1C(=O)OC(C)(C)C 2335889848 ZJDVKZYNJVTBBC-HUUCEWRRSA-N 439.375 5.392 30 10 IKEE Cc1nc(Oc2cc(NC(=O)OC(C)(C)C)ccc2Br)c(Cl)cc1C#N 2344219524 QOMADJDHQWQJMA-UHFFFAOYSA-N 438.709 5.817 30 10 IKEE C=CCN(CC(=C)Br)[C@]1(C(=O)O)CCC(C)(C)C[C@@H]1OCc1ccccc1 2378545410 KDKZAUXXCUNTLW-SIKLNZKXSA-N 436.390 5.002 30 10 IKEE Cc1ccc(OCCCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c(Br)c1 1984341 GXGSPDNPYXZMSB-AWEZNQCLSA-N 447.398 5.613 30 10 IKEE O=C(C[C@H]1S/C(=N\C2CCCCC2)N(C2CCCCC2)C1=O)Nc1ccccc1Cl 8386184 DWWBWNFSUIRQRR-KHUIZHDGSA-N 448.032 5.634 30 10 IKEE CCOc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1 15932131 VHFIVGNPZFQZQO-ZVHZXABRSA-N 425.872 5.672 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(CC)cc2)c1 33429612 OLWZJQHORGUKJM-DEOSSOPVSA-N 445.515 5.409 30 10 IKEE C=CCOc1ccc(/C=C2\S/C(=N/c3nc(C)cs3)N(c3ccccc3)C2=O)cc1 39865523 RGAGBZRUBNCXEW-QJYUKRAPSA-N 433.558 5.825 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(N(C)C)cc2)S/C1=N/c1nc(-c2ccccc2)cs1 39865909 HUPGDYUIOTURMO-SYUAUQEVSA-N 446.601 5.666 30 10 IKEE C=C1CC[C@@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@@H]1CC[C@H]2[C@@H](C)/C=C/[C@@](C)(O)C(C)(C)O 96030773 BPEQZNMKGFTMQE-NSUUVJBXSA-N 428.657 5.871 30 10 IKEE CCCCCCCOc1ccc(NC(=S)NC(=O)c2ccc(Br)o2)cc1 100155563 OTIBDHDJCZBGKT-UHFFFAOYSA-N 439.375 5.518 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(N(CC)CC)cc1)N2 100342214 CYQPRXLJKOIFKT-GEBXHLAXSA-N 432.652 7.709 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1cccc(OCC(C)C)c1 100443911 LRVTURBURLMCNN-UHFFFAOYSA-N 434.690 7.236 30 10 IKEE O=C(C[C@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1 101573475 RTQUVIKQMWQVQF-HZYJKNPPSA-N 435.936 5.505 30 10 IKEE CCCCCCCCCCn1c(CCCNC(=O)c2cccs2)nc2ccccc21 102148440 SFZAYGFUBRWBBQ-UHFFFAOYSA-N 425.642 6.601 30 10 IKEE COC(=O)c1ccc(N2Cc3ccccc3/C2=N/C(=O)c2ccc(-c3ccccc3)cc2)cc1 105813832 YHAUXDNPGZYEDO-IKPAITLHSA-N 446.506 5.747 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2ccc(C)cc2C)cc1 169925778 LECNUIDCEVDEGW-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CCN1C(=S)N[C@H](c2ccc(OC)c(OCc3ccc(Cl)cc3)c2)C(C(C)=O)=C1C 169933336 VMOVMUNKNKLWTN-JOCHJYFZSA-N 444.984 5.042 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(OC)c3)[C@H]2c2cccc(C)c2)cc1 169972779 QBCGOCSLMVQZKO-VWLOTQADSA-N 441.527 5.345 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(O)c(Cl)c2)cc1C 170041363 VRQANWVIQXBIAN-OAQYLSRUSA-N 437.879 5.034 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccc(Cl)cc2)[C@H]1c1ccco1)c1ccc(Cl)cc1 170096771 AQYAACPMTHFMDZ-FQEVSTJZSA-N 442.298 5.407 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2ccc(C)o2)c1 170099517 LPCYCAOOUOLADF-QHCPKHFHSA-N 431.488 5.386 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)c(Cl)c2)=C(O)C(=O)N1C1CCCC1 170126061 LZJVLHLYPWLMSM-FQEVSTJZSA-N 446.330 5.523 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@@H]1c1cccs1 170158328 IPEOJLGGEPBUAM-JOCHJYFZSA-N 447.556 5.773 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C(C)(C)C)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170172213 QWFGDCMLLIJGNB-UHFFFAOYSA-N 435.527 5.561 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(OCC)cc1 170214453 SMRWKGWUAJRLMF-VWLOTQADSA-N 443.543 6.007 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(C)cc4)[C@@H]3c3ccccc3)oc12 170227278 LNSJTHMAQRWGSC-HSZRJFAPSA-N 439.467 5.533 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1ccccc1F 170253360 HPQPHHRAWZGGPA-OAQYLSRUSA-N 441.886 5.994 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cccc(O)c1 170259825 WXMPKXSIWPWMPS-VWLOTQADSA-N 439.511 5.362 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccc(C)o2)c(C)c1 170304836 MNZZBEYJDGOFTF-VWLOTQADSA-N 437.495 6.141 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@H]1c1ccc(C)o1 170305012 GUBVQBYJNKBHNQ-QFIPXVFZSA-N 435.451 5.135 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@H]1c1ccc(C)o1 170309923 QIJCQFJPFRIPAT-JOCHJYFZSA-N 425.525 5.489 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1Cc1ccccn1 170316678 NIRFZZUCZIIJEZ-JOCHJYFZSA-N 440.524 5.383 30 10 IKEE OC1(C#CCN(CC#CC2(O)CCCCC2)c2cc(Cl)ccc2Cl)CCCCC1 206672775 ZPSJKEJXVSIHEU-UHFFFAOYSA-N 434.407 5.197 30 10 IKEE COc1ccccc1N=C1S/C(=C/c2ccc(F)cc2)C(=O)N1c1ccccc1OC 254626101 DHRUPQPUPGPOQB-MUJYFGONSA-N 434.492 5.652 30 10 IKEE C=CCN=c1scc(-c2ccc(Cl)c(Cl)c2)n1N=Cc1ccc2c(c1)OCO2 254740896 MFXDRBSLGLZLGR-UHFFFAOYSA-N 432.332 5.221 30 10 IKEE CCSc1nnc(-c2ccco2)n1N=Cc1ccc(COc2ccc3c(c2)CCC3)o1 254844633 HKEKKMIXOWVUEH-UHFFFAOYSA-N 434.521 5.193 30 10 IKEE CCN(CCC#N)c1ccc(N=Nc2nc3ccc(S(C)(=O)=O)cc3s2)c(C)c1 255979086 IMWICXCTLULCFP-UHFFFAOYSA-N 427.555 5.164 30 10 IKEE N#Cc1c(NC(=O)CSc2nc3ccccc3o2)sc2c1CC[C@H](c1ccccc1)C2 261527066 YFPHPUYRLVSZIV-INIZCTEOSA-N 445.569 5.764 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Br)c(Cl)c1F 407596328 WPLNRYDSPFGGAY-XJKSGUPXSA-N 435.765 5.362 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccc(F)c2)cc1OC 526518301 WTCATHGPFWSBOH-DEOSSOPVSA-N 444.462 5.162 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3cccc4ccccc34)[C@H]2c2ccc(Cl)cc2)c1 526520834 OQDUQLLLOXONLO-RUZDIDTESA-N 436.898 6.422 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2c[nH]c3ccccc23)cc1 526604795 XHYMCYVJAYGNOG-VWLOTQADSA-N 435.483 5.495 30 10 IKEE COc1ccc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2C#N)c(OC)c1 526607549 XTVUICOKIZUCRD-QHCPKHFHSA-N 446.890 5.286 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1cc(OC)ccc1OC 526812639 FMOUGRKLBWPHHR-OYKKKHCWSA-N 444.988 5.466 30 10 IKEE CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1ccc(Cl)cc1Cl 526828476 FQHATEIDRDJXDO-FBHDLOMBSA-N 436.324 5.230 30 10 IKEE Cc1cc([C@](C)(CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1C#N 687753794 AVRMGMDWQYUWIZ-MHZLTWQESA-N 440.499 5.095 30 10 IKEE COc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)c(Br)c1 698896063 VXCRRSKWIDXUBL-SFHVURJKSA-N 435.293 5.603 30 10 IKEE CN(C)C1(C)CCC(C#N)(N(C(=O)OC(C)(C)C)c2cccc(Br)c2)CC1 715184185 QGUIKHWWDPZBAN-UHFFFAOYSA-N 436.394 5.347 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 724064346 OOOPHCDRVSVLNJ-NTKDMRAZSA-N 429.561 5.011 30 10 IKEE COc1ccc(-c2nc(N=Cc3cccc(Cl)c3)sc2-c2ccc(OC)cc2)cc1 1084127283 VNTFWCDYYVVRPP-UHFFFAOYSA-N 434.948 6.898 30 10 IKEE CCN(CC)c1ccc(C=Nc2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1 1084308114 ZWQPTVRYNADYKF-UHFFFAOYSA-N 431.605 6.476 30 10 IKEE CC(=O)Nc1ccc(N=C2C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)cc1 1084614014 VBUHCWOTNCVATP-UHFFFAOYSA-N 438.314 5.619 30 10 IKEE COc1ccccc1C/N=C(/Nc1cc(-c2ccccc2)ccc1O)NC1CCCCC1 1088684121 AQKQTKDPNVAOHT-UHFFFAOYSA-N 429.564 5.958 30 10 IKEE O=C1NC(=NN=Cc2c(-c3ccccc3)[nH]c3ccccc23)S[C@@H]1Cc1ccc(F)cc1 1772742276 KIZMZIXVFPUBAT-JOCHJYFZSA-N 442.519 5.138 30 10 IKEE CCCCOc1ccc(C=NNc2nnc3c4ccccc4n(CC)c3n2)cc1OCC 1772765290 BXBJYQPHWJPTGP-UHFFFAOYSA-N 432.528 5.023 30 10 IKEE CC(C)N(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)c(F)c1F 1859894335 NUVJMFZROIGNGJ-UHFFFAOYSA-N 429.282 6.197 30 10 IKEE N#Cc1ccccc1NC(=O)CCCCCNC(=O)c1c(Cl)ccc(Cl)c1Cl 1860842295 HXAUPKQTELSUBQ-UHFFFAOYSA-N 438.742 5.447 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC(C)C)NC(=O)CCc1ccc(OC)cc1 1861085383 XIIPPPXUDRTJKQ-DEOSSOPVSA-N 432.649 5.416 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)COc1ccc(CCC)cc1 1861659069 VSDGPDOHWMRVRJ-XMMPIXPASA-N 430.633 5.266 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccc(N(CC)CC)cc2)cc1 1862393967 GVXAZPAIZIKHLV-RUZDIDTESA-N 446.591 5.616 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccc(C)cc2)c1 1862431349 FPTWDNNFFIMPSR-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@@H](C)c2ccccc2)c1 1862489908 JZSXVCIQAXEKES-NBGIEHNGSA-N 425.528 5.951 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc(Cl)cc2Cl)c1 1862498136 AOOUAZHXROWZIC-NRFANRHFSA-N 446.374 6.235 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2ccc(OC)cc2)cc1 1862536142 RRURGMNTIRXPHZ-HSZRJFAPSA-N 447.556 5.140 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccccc1Cl 1862617809 KCXPMROZLCKAHR-OAQYLSRUSA-N 425.956 5.872 30 10 IKEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(C)cc1 1862659651 BYYMPRNMTQBTIM-XMMPIXPASA-N 434.580 5.039 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2Cl)cc1 1862660645 LOZFQWCADKMVHQ-QFIPXVFZSA-N 435.907 5.835 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccc(O)c1 1862661689 FLAXJTPCJARMJS-RCZVLFRGSA-N 449.591 6.453 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 1862667678 IDGMPNZJOKNKQC-RBZFPXEDSA-N 448.346 5.076 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc2cc[nH]c2c1)c1ccc(F)cc1 1862678191 KVKWXMMHCISHMA-QHCPKHFHSA-N 444.437 5.225 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(Cl)c(Cl)c2)c1 1862705666 DJJBSINOAONSDQ-FQEVSTJZSA-N 446.330 5.523 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCC(C)C)cc1 1862715921 UFXSRCGUAOBFQW-VWLOTQADSA-N 427.544 6.027 30 10 IKEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2ccc(C)cc2)cc1 1862731586 XMJUOEVIKLTFLZ-RUZDIDTESA-N 449.591 6.333 30 10 IKEE N#Cc1ccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3ccc4ccccc4c3)C2=O)cc1 1862793561 UMVLKLZHFAJUDA-UHFFFAOYSA-N 449.897 5.761 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C(C)(C)C)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1C 1862878893 BCYJRECJIAPIIF-UHFFFAOYSA-N 449.554 5.869 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(Cl)cc3C)C2=O)c1 1863028044 SLQYFEAFHMZTCJ-UHFFFAOYSA-N 441.918 5.534 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N(CC(=O)OC)[C@H](C)C(=O)OC 1866342712 WJJDUNJHMDJMLM-JOCHJYFZSA-N 441.653 5.811 30 10 IKEE C=CCN(CC=C)c1cc(N(C)C2CCN(C)CC2)nc(-c2ccc(C(C)(C)C)cc2)n1 1868001804 HOCCAKGWEIQLQB-UHFFFAOYSA-N 433.644 5.150 30 10 IKEE CCCCCCC(=O)Nc1c(C#N)nnn1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1870159247 COTIMTQTZOBEBV-UHFFFAOYSA-N 433.356 5.085 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2C)c(=O)cc1CSC(C)(C)C 1870171281 PGONHWSEWAYQCN-UHFFFAOYSA-N 429.670 7.128 30 10 IKEE CCCCCCCOc1cn(CCCOCC)c(CNc2ccc(C)c(C)c2)cc1=O 1870830707 XCLDNCZFYZNGDN-UHFFFAOYSA-N 428.617 5.853 30 10 IKEE C=CCn1cc(OCCOc2cccc3ccccc23)c(=O)cc1CNc1ccc(C)cc1 1871040038 BZWOQKVYDZENBE-UHFFFAOYSA-N 440.543 5.566 30 10 IKEE C=CCn1cc(OCCCc2ccccc2)c(=O)cc1CNc1ccc(F)c(Cl)c1 1871137672 JYXTTZQAYOYNAA-UHFFFAOYSA-N 426.919 5.451 30 10 IKEE O=C1/C(=C/c2ccc(F)cc2)Oc2c1ccc1c2CN(CCc2c[nH]c3ccccc23)CO1 1871344907 HRRIDVDKCOZYDX-MXAYSNPKSA-N 440.474 5.318 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)cc(C)c3C2=O)cc1 1871373639 AZTAUFFEEZVWQY-UUYOSTAYSA-N 445.427 5.137 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2F)C3=O)cc1 1871389732 MHBWCJHGFFNRBA-HAHDFKILSA-N 430.431 5.534 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4Cl)cc(C)c3C2=O)o1 1871407369 XSZVRZQUXQZOHY-SYZMQFJCSA-N 437.879 5.572 30 10 IKEE COC(=O)c1ccc(/C=C2\Oc3cc(OCc4cc(C)c(C)cc4C)cc(C)c3C2=O)cc1 1871423689 XGDBTYIYTTYXRY-MXAYSNPKSA-N 442.511 5.902 30 10 IKEE Cc1cc(OCC(=O)Nc2c(F)cccc2F)cc2c1C(=O)/C(=C/c1ccc(F)cc1)O2 1871440255 GEVLNSGGKZCSEY-JMIUGGIZSA-N 439.389 5.046 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2cn(C)c4ccccc24)C3=O)cc1 1871453897 XFFNYUFICQANOK-MXAYSNPKSA-N 438.483 5.120 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3c(c2C)O/C(=C\C=C\c2ccccc2)C3=O)c1 1871456485 HNDCLJUMQGPLFM-KNXZYVGWSA-N 425.484 5.493 30 10 IKEE Cc1cc(C)c(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)c(C)c1 1871458876 OFWHEKHNRKAHCK-FMCGGJTJSA-N 431.463 5.385 30 10 IKEE COc1cccc(-c2csc([C@H](C#N)C(=O)COc3ccc(C)cc3C(C)(C)C)n2)c1 1872761971 AEQHGOWRUYUFJZ-LJQANCHMSA-N 434.561 5.680 30 10 IKEE N#C[C@H](C(=O)COc1ccc(Cl)cc1Cl)c1nc(-c2cccc(Cl)c2)cs1 1872767026 RQCQTXLTDXVNKY-CQSZACIVSA-N 437.735 6.026 30 10 IKEE CCCCC1CCC(C(=O)[C@@H](C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)CC1 1872788148 FCGSPGXWVQGSKQ-LADRWXRNSA-N 431.001 6.645 30 10 IKEE C=CCc1ccccc1OCc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c1 1872834185 OZYRZFFBDIXSOM-UHFFFAOYSA-N 426.560 6.237 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCC)=C(c2ccccc2Br)C1=O 1873068638 YEEZQUQKWTUPPT-UHFFFAOYSA-N 435.406 5.279 30 10 IKEE C=CCN(CC=C)C(=O)c1ccc2nc(-c3ccc(OCCCC)c(OCC)c3)[nH]c2c1 1873504238 NFVULHKBOXZJSI-UHFFFAOYSA-N 433.552 5.622 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SC)n1/N=C/c1ccc(C(C)(C)C)cc1 1874227850 FWZQIAYCRDDHLS-PCLIKHOPSA-N 436.581 5.324 30 10 IKEE COc1ccc(CCc2nnc(SCc3ccccc3)n2/N=C/c2cccc(F)c2)cc1 1874305970 YWBZSJQPLDGVQX-WPWMEQJKSA-N 446.551 5.386 30 10 IKEE Fc1ccccc1CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccccn1 1874342589 YABPCLRSIUOTJV-VULFUBBASA-N 437.931 5.231 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1c(F)cccc1Cl 1874358049 LYFDVWIZIWSJHL-BRJLIKDPSA-N 428.964 5.829 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(O)cc1O 1874393099 CRBBBZJJTBRSAR-JOBSNELWSA-N 448.523 5.155 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(O)c(O)c1 1874394077 YCNGBVQPMVUKBJ-JOBSNELWSA-N 448.523 5.155 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3cccs3)n2/N=C/c2cccc([N+](=O)[O-])c2)c1 1874422582 UJVDXKOWYFQHKV-YDZHTSKRSA-N 449.561 5.706 30 10 IKEE Clc1cccc(CSc2nnc(C3CCCC3)n2/N=C/c2ccccc2Cl)c1 1874457215 GSZUUEHBIPWWLL-ZMOGYAJESA-N 431.392 6.417 30 10 IKEE COc1cc(/C=N/n2c(CC(C)C)nnc2SCCc2ccccc2)cc(Cl)c1O 1874490177 CWAOWBOTDXYZNU-ZVHZXABRSA-N 444.988 5.061 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(F)cc1 1874492264 GHUGQIIDYYJILC-BHGWPJFGSA-N 437.371 6.097 30 10 IKEE Cc1ccc(CSc2nnc(C3CCC3)n2/N=C/c2cccc(Br)c2)cc1 1874493548 SJJFSVUORJMWEF-YDZHTSKRSA-N 441.398 5.791 30 10 IKEE COCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1c(Cl)cccc1Cl 1874501682 UMBXTQJFQDUPDK-AUEPDCJTSA-N 435.380 5.523 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1c(Cl)cccc1Cl 1874527172 AFRRAQSQIFNKNZ-LSHDLFTRSA-N 425.772 5.975 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccccc3CC)c2)cc1 1874593355 FUIWQDOGQWBTAZ-KNTRCKAVSA-N 441.571 6.505 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OCC(=O)Nc1ccc(F)cc1 1874595554 RLCQOAWZJHBUNH-VZUCSPMQSA-N 439.870 5.401 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)cc1 1874604831 HRLWRTWYJCLQOH-UKTHLTGXSA-N 441.354 7.040 30 10 IKEE O=C(/C=C/c1ccc(OCc2c(F)cccc2Cl)c([N+](=O)[O-])c1)c1cccc(Cl)c1 1874612174 GPEQQDSRJHXUOS-VQHVLOKHSA-N 446.261 6.516 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc1Cl 1874621236 ANHLFBHZCOLJCM-RMKNXTFCSA-N 447.934 5.411 30 10 IKEE O=C(/C=C/c1ccc(OCc2nc(O)c3ccccc3n2)cc1)c1cccc2ccccc12 1874623714 REQPDHPQRGWXGS-SAPNQHFASA-N 432.479 5.964 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccc(OCc2cccc(Cl)c2)cc1 1874628519 IADSNZAQOGLACC-JXMROGBWSA-N 447.745 7.131 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OC(=O)CSc1ccccc1 1874697304 RTXASRTUSCUHER-ACCUITESSA-N 438.932 5.942 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1cccc(/C=C/C(=O)c2cccc(Br)c2)c1 1874698103 WABUPNUPZJQFDA-FMIVXFBMSA-N 439.280 5.632 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1)c1ccc(Cl)cc1 1874700622 CPJMOYSECKGSER-NYYWCZLTSA-N 442.254 6.017 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@H](C)Oc3ccc(Cl)cc3)c2)c(C)c1 1874702048 GLHUWEJWQJQNED-MOXPCZPISA-N 434.919 6.226 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OC(=O)c1ccc(OCC(C)C)cc1 1874702799 KFAPJYKXXVMMLC-VIZOYTHASA-N 444.527 6.154 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2cccc(OC(=O)c3c(F)cccc3Cl)c2)cc1 1874705844 CLIUVUKGQFVRJP-XNTDXEJSSA-N 436.910 6.892 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc4c(c3)OCO4)c2)cc1 1874707799 XOYUNVIXEZEWHZ-NTUHNPAUSA-N 428.484 5.828 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(OCC(C)C)cc2)CSc2nncn21 1874817770 UTHRGEDIGBXZDJ-OAQYLSRUSA-N 430.618 5.375 30 10 IKEE COc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1 1875095094 YFXDDUZPGMZFGU-SFQUDFHCSA-N 438.479 5.729 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1sccc1C 1875097990 NEQVWFSSPOGPRA-XYOKQWHBSA-N 446.568 6.449 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)cc3F)c(Cl)c2)c(C)c1 1875131578 FDEUSDAMRAGKPI-RUDMXATFSA-N 440.873 6.279 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCOc3ccccc3)c([N+](=O)[O-])c2)c(C)c1 1875134808 MJHIXWNIISHIPH-FMIVXFBMSA-N 445.471 5.482 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1[N+](=O)[O-] 1875140520 KMLPPXACOGLZNF-FYWRMAATSA-N 437.536 6.764 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc(Cl)c1OC(=O)C(C)C 1875166879 JGFDXGOXTULUIT-CSKARUKUSA-N 430.928 5.822 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)Cc1ccccc1 1875171867 QNJAQJLVCVQTLU-ZRDIBKRKSA-N 430.500 5.365 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1Cl)c1ccccc1 1875189500 SXWXGZZYPFNPNQ-UXBLZVDNSA-N 431.702 6.762 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@](C)(C#N)C(C)(C)C(F)(F)F 1878633161 XXTVFJAPTSERQI-KRWDZBQOSA-N 435.284 6.061 30 10 IKEE O=C(Nc1ccc(C(F)(F)F)c(F)c1)c1cc(Br)cc(C(F)(F)F)c1 1889902956 XYVHQTQSLRUPCO-UHFFFAOYSA-N 430.117 5.878 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1ccc(OC)cc1NC(=O)OC(C)(C)C 1922081576 YPFISLHICIYEKI-DEOSSOPVSA-N 440.584 5.856 30 10 IKEE C=CCC1(NCc2cc(Br)c(Cl)s2)CCN(C(=O)OC(C)(C)C)CC1 1924524872 VCADOSQNHOSFMJ-UHFFFAOYSA-N 449.842 5.599 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@H](C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2021497338 IOUWZFFRNAJMQA-ROUUACIJSA-N 449.617 5.413 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC[C@]2(C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 2032041701 CKOJNUHXZORTPM-LSRZYVKLSA-N 445.535 5.106 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]2CCCCN2C(=O)OC(C)(C)C)cc1 2032407090 YIIUTZZWVRSPAY-VQTJNVASSA-N 445.560 5.118 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@H]2CC(C)(C)CN2C(=O)OC(C)(C)C)cc1 2033721762 ALCDSQQBXXCJML-PMACEKPBSA-N 443.588 5.664 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)C2(C#N)C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)cc1 2040987140 ZTLVAPWUTWLMDV-OALUTQOASA-N 441.572 5.276 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@]1(C#N)Cc1ccc(Cl)c(Br)c1F 2047953981 LPNXZRUYHDAPSL-SFHVURJKSA-N 431.733 5.467 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]2CN(C(=O)OC(C)(C)C)C(C)(C)C2)c1 2073119578 RZWQOZYHOXEEGH-UYAOXDASSA-N 443.588 5.664 30 10 IKEE CC(C)(C)c1nn(-c2c(F)c(F)c(F)c(F)c2F)c(C(F)(F)F)c1Br 2079141129 YDHUVQJPZSLIOQ-UHFFFAOYSA-N 437.128 5.647 30 10 IKEE CC[C@@H](c1ccc(C(F)(F)F)cc1F)n1nc(C2CCC2)c(C=NO)c1Br 2079929496 VNLBZANFRUHJSB-HNNXBMFYSA-N 448.258 5.879 30 10 IKEE CCOc1ccc([C@@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C(C)(C)C)cc1 2080103094 DJMORLKHKDGAAH-GOSISDBHSA-N 434.378 5.539 30 10 IKEE COc1c2c(nc3c(-c4ccc(F)c(C(F)(F)F)c4)c(C(F)(F)F)nn13)CSC2 2081328897 AEDXZPPPQKMTBF-UHFFFAOYSA-N 437.340 5.328 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)C12CCCC2 2083815069 ABERGMUUBZBQSK-RUZDIDTESA-N 447.620 5.772 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(Cc3ccccc3)C3(CCC3)C2)cc1 2099251529 XOCMDYHFBDLRCI-HHHXNRCGSA-N 447.579 5.528 30 10 IKEE C=CCCCCCC[C@@H](NC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2141912009 VGCUPMSUHSBGQM-LJQANCHMSA-N 425.411 6.583 30 10 IKEE C=CCN(C[C@@H](NCCC)c1cc(F)c(Br)c(F)c1)C(=O)OC(C)(C)C 2142158374 UBWDYYADTPDTIV-MRXNPFEDSA-N 433.337 5.191 30 10 IKEE N#Cc1cc(F)c(Nc2ccc(Cl)c(I)c2Cl)c(F)c1 2150321529 RWAOFWFZKHYDQV-UHFFFAOYSA-N 425.003 5.491 30 10 IKEE CCCCCCCCC[C@@H](N)[C@@H](O)c1scc(Br)c1Br 2150581619 GQTILOWXJHPFRB-TZMCWYRMSA-N 427.246 5.775 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@](C)(C#N)C1CCC(F)(F)CC1 2158477353 KMFRRGAQYCLJNW-LJQANCHMSA-N 443.332 6.298 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(F)cc1C(=O)Nc1ccc(Br)cc1C#N 2181132362 GEDNMJKDORLANB-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE CCN[C@]1(C#N)CCCC[C@@H]1CCN(CCN(C)Cc1ccccc1)Cc1ccccc1 2260360970 DQJDJICILUYOCV-IZLXSDGUSA-N 432.656 5.073 30 10 IKEE C=CCCC1([C@H](NCCC)c2ccc(Br)s2)CN(C(=O)OC(C)(C)C)C1 2266314523 FIIQUVPGIKYXSA-QGZVFWFLSA-N 443.451 5.755 30 10 IKEE C[C@@H](N(Cc1ccccc1)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(C)(C)C 2267642072 KYODIDZLYUITEH-LJQANCHMSA-N 436.405 5.455 30 10 IKEE CC(C)(C)OC(=O)NCc1ccc(Cl)cc1Nc1ccc(Br)cc1C#N 2268701049 PWJHANCYHLQALO-UHFFFAOYSA-N 436.737 5.742 30 10 IKEE CC1(C)OB(c2ccc3nc(N(Cc4ccccc4)CC4CCCC4)sc3c2)OC1(C)C 2279030677 OWTOTVWBCMRZMS-UHFFFAOYSA-N 448.441 5.792 30 10 IKEE C=CCC[C@H](C)[C@@H](NCC)[C@@](C)(O)c1cc(Br)c(Br)s1 2281280728 AYDGJDYKJCYYTP-ZBINZKHDSA-N 425.230 5.061 30 10 IKEE CCCCCCC[C@H](OCCCN)c1cc(Br)c(Br)s1 2293655381 QGXCSGBGLYXKEM-ZDUSSCGKSA-N 427.246 6.040 30 10 IKEE CCN1C(=O)C(=C2Sc3ccc(OC)cc3N2CC)SC1=N[C@@H](C)c1ccccc1 2295213205 WHBAUJFADSQSAI-HNNXBMFYSA-N 439.606 5.509 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](C[C@@H](O)C#Cc1cccc(Br)c1)C1CCCCC1 2296220135 VHHKNMAVDYVMOX-PMACEKPBSA-N 436.390 5.025 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)C[C@@H](CCC)NC(=O)OC(C)(C)C 2296267740 WQAASCUNCHCCOD-WOJBJXKFSA-N 437.422 5.252 30 10 IKEE CCN[C@@H](C#Cc1cccc(Br)c1)c1ccccc1NC(=O)OC(C)(C)C 2296274599 VGWSPMBSHRLUMK-IBGZPJMESA-N 429.358 5.498 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)C(=C(O)c4cccs4)[C@@H]3c3ccccc3)sc2c1 2296606495 GRWWAAGOCUTIDK-FQEVSTJZSA-N 446.553 5.547 30 10 IKEE CC(C)(C)OC(=O)N(CCCC(=O)C#Cc1ccc(C(F)F)nc1)Cc1ccccc1 2301902619 MWYSTANRGDBJQE-UHFFFAOYSA-N 428.479 5.157 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(Br)cc2)c1OCc1ccccc1C 2322430157 GHXDBYNPBNGWRE-UHFFFAOYSA-N 437.333 6.241 30 10 IKEE COc1ccc(-n2ncc(NN=Cc3cccc(Oc4ccccc4)c3)c(Cl)c2=O)cc1 2322591620 RNLWFAYHQBNWDO-UHFFFAOYSA-N 446.894 5.133 30 10 IKEE COc1cc(Br)cc(C=CC(=O)c2ccc(C)cc2)c1OCc1ccccc1 2322600631 MTONOBCTJRZCPQ-UHFFFAOYSA-N 437.333 6.241 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(=O)c4ccccc4C)cc(C)c3C2=O)c1OC 2322681131 AZKVVKFXYJVSCP-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE CCCOc1c(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(Br)cc1OC 2322687609 YYYGRYIZSKGUAY-UHFFFAOYSA-N 431.370 6.440 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2nccs2)cc1 2322737727 AEIPEZIACYVZHI-UHFFFAOYSA-N 440.952 5.834 30 10 IKEE Cc1cc(OC(=O)c2cc3cc(Cl)ccc3o2)cc2c1C(=O)C(=Cc1ccccn1)O2 2322846731 LCBYBWXEHODZFE-UHFFFAOYSA-N 431.831 5.625 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1c(OCc2ccccc2C)ccc2ccccc12 2322851658 ZJMODMZGTNMFTK-UHFFFAOYSA-N 436.551 7.249 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cc(Cl)ccc1OCc1cccc(F)c1 2322926418 ZDIDOKDXHBUYPX-UHFFFAOYSA-N 445.317 6.925 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1c(OCc2ccccc2F)ccc2ccccc12 2323022443 ODQRGODZBWEDSL-UHFFFAOYSA-N 446.905 7.116 30 10 IKEE CCc1ccc(NC(=O)COc2cccc(C=CC(=O)c3cc(C)ccc3OC)c2)cc1 2323177151 ARSOGYUAXZECRT-UHFFFAOYSA-N 429.516 5.480 30 10 IKEE CCc1ccccc1NC(=O)COc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC 2323218304 YYEPFHAVWLIXGX-UHFFFAOYSA-N 433.479 5.310 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OC(=O)c4ccc([N+](=O)[O-])c(C)c4)c3C)C2=O)c1 2323279854 ABEBTJIXXJTKAY-UHFFFAOYSA-N 445.427 5.056 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OC(=O)c4cccc(F)c4)ccc3C2=O)cc1 2323295692 DHAJHKFHGIKYOB-UHFFFAOYSA-N 431.463 5.507 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OC(=O)C(Cl)=Cc3ccccc3)c2C)C1=O 2323441727 FCKFGRNUJKRHJO-UHFFFAOYSA-N 430.887 6.105 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccc(CC)cc2)cc1OCC 2323481461 AGACPMCNIDMZCM-UHFFFAOYSA-N 437.580 5.571 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Br)c(OCCO)c(OCC)c2)cc1 2323556922 GURHFWLSQUBNCH-UHFFFAOYSA-N 447.369 5.458 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4cccc(OCC(C)C)c4)ccc3C2=O)cc1 2323579869 JJJRKHUVNWHRND-UHFFFAOYSA-N 428.484 5.865 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(C)cc1 2323783462 RMMZZHDRCDFLRY-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc3ccccc23)c(Cl)c1)c1ccc(Cl)cc1 2323790333 QYVAAYGOYZZQHJ-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE Cc1c(OC(=O)c2cccc(OC(C)C)c2)ccc2c1OC(=Cc1cccc(F)c1)C2=O 2323809240 OUBGTWJHTZLMMB-UHFFFAOYSA-N 432.447 5.757 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(OC)c(OCc3ccccc3F)c(OC)c2)cc1 2323831312 UJRFETXOKJSBDB-UHFFFAOYSA-N 436.479 5.717 30 10 IKEE Cc1ccc(C)c(COc2ccc(C=CC(=O)c3ccc4c(c3)OCCO4)cc2[N+](=O)[O-])c1 2324041557 DOXWHABKHIJOKG-UHFFFAOYSA-N 445.471 5.458 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OCc1ccc(Cl)c(Cl)c1 2324261520 ZFIZZFNEOBBGLE-UHFFFAOYSA-N 449.280 6.755 30 10 IKEE CCCOc1c(Cl)cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1OCC 2324283589 SKUDZOCOJSAHBK-UHFFFAOYSA-N 436.935 7.216 30 10 IKEE CCCCCCCCCOc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1Cl)C2=O 2325183535 CPEFIGZQXLIKBF-UHFFFAOYSA-N 433.375 7.739 30 10 IKEE CCCCCCCCCOc1cc(C)c2c(c1)OC(=Cc1cn(C)c3ccccc13)C2=O 2325185350 SIWIJCNMROQLAC-UHFFFAOYSA-N 431.576 7.232 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccc(Cl)cc2)cc1 2325435325 APWDPBHKRFGFDO-UHFFFAOYSA-N 447.007 6.200 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3)n2N=Cc2ccccn2)c1 2325449006 DFYFVHZGLNCCFJ-UHFFFAOYSA-N 427.577 5.250 30 10 IKEE CCc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2cc(C)ccc2C)cc1 2325489063 CAWGQPNQZBHOLW-UHFFFAOYSA-N 440.616 6.223 30 10 IKEE CC(C)(C)c1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccccc2)C3=O)cc1 2325552431 MAWPJMBBACRGLU-UHFFFAOYSA-N 427.500 5.618 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4cccc5ccccc45)cc(C)c3C2=O)o1 2325707556 QTKCUVHTLFPCGO-UHFFFAOYSA-N 439.467 5.683 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC(=O)CSc3ccccc3)c2)cc1 2325712862 DCJPWYNJQPGSNV-UHFFFAOYSA-N 430.569 6.623 30 10 IKEE CCCCc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(C)cc2)C3=O)cc1 2325719564 YRVJUHCOTANIFB-UHFFFAOYSA-N 441.527 5.971 30 10 IKEE Cc1cc(C)c(NC(=O)COc2ccc3c(c2)OC(=Cc2sccc2C)C3=O)c(C)c1 2325736639 DUFWIJIHMGMJLF-UHFFFAOYSA-N 433.529 5.615 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1C 2325738674 XQPJEXPSIHBXIG-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OC(=O)Cc1ccc(Cl)cc1 2325764141 GBFIQIDKFSRRIU-UHFFFAOYSA-N 448.946 6.318 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(OC)cc2)n1N=Cc1ccc(Cl)cc1 2326269202 GHNBPIGIPXPYQX-UHFFFAOYSA-N 442.972 5.112 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1N=Cc1cccc(OC(C)C)c1 2326552184 XLYUUOOUQWAMJM-UHFFFAOYSA-N 443.016 6.236 30 10 IKEE C=C(C)CSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1ccc(O)cc1O 2328158138 MSYQLRZOIBGSHM-UHFFFAOYSA-N 428.602 5.704 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2N=Cc2ccc(C(C)C)cc2)CC1 2328186982 ALXIKWBOVODDNC-UHFFFAOYSA-N 426.674 7.250 30 10 IKEE C=CCSc1nnc(COc2cccc(C)c2C)n1N=Cc1cccc(OCCC)c1 2328857412 ASPAXFOIVHTXNL-UHFFFAOYSA-N 436.581 5.423 30 10 IKEE Cc1cccc(C=Nn2c(CCOc3ccccc3)nnc2SCCc2ccccc2)c1 2329200262 RXECJGOIKQRBIG-UHFFFAOYSA-N 442.588 5.425 30 10 IKEE Cc1ccc(C=Nn2c(CCc3cccs3)nnc2SCc2ccc(F)cc2)cc1 2329638750 CSXXEAMWLZWNRX-UHFFFAOYSA-N 436.581 5.747 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3)n2N=Cc2ccccc2)c1 2330197031 YDPJFFNFOMLQGE-UHFFFAOYSA-N 426.589 5.855 30 10 IKEE CC(C)c1ccc(C=Nn2c(CC3CCCCC3)nnc2SCCc2ccccc2)cc1 2330275927 AYKHBRRMJHLAAC-UHFFFAOYSA-N 446.664 6.741 30 10 IKEE Fc1cccc(C=Nn2c(Cc3cccs3)nnc2SCc2ccccc2F)c1 2330392924 FOISHGJZTKRUSC-UHFFFAOYSA-N 426.517 5.383 30 10 IKEE COc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC(=O)CC(C)C 2330596280 MTZGJTMJJQUVKQ-UHFFFAOYSA-N 444.527 6.218 30 10 IKEE CCc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2-c2cccs2)cc1 2330598735 NOTSYUDMQVATCO-UHFFFAOYSA-N 439.009 6.397 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccccc3)n2N=Cc2cn(C)c3ccccc23)c1 2330645602 VSXKKGRDLNAXDF-UHFFFAOYSA-N 437.572 5.920 30 10 IKEE C=CCSc1nnc(-c2ccccc2)n1N=Cc1ccc(OCc2ccc(C)cc2)cc1 2330678608 YXUNQGHNJADUQJ-UHFFFAOYSA-N 440.572 5.993 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1Cl 2330682822 CDIKHFRGYVDRGM-UHFFFAOYSA-N 436.979 6.991 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OC(=O)CC(C)(C)C 2330701297 PIVQFEUOMDLBTM-UHFFFAOYSA-N 446.587 6.540 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccs2)c(Cl)c1)c1cccc(Br)c1 2331002245 WSCKMDKUXJTYKO-UHFFFAOYSA-N 447.737 6.279 30 10 IKEE Cc1ccc(C)c(OCC(=O)Oc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1C 2331018075 PCEBPPZKQRKWNP-UHFFFAOYSA-N 445.471 5.401 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(C3CCCC3)n2N=Cc2ccccc2Cl)cc1 2331051102 PGHAXUNHGIUNFF-UHFFFAOYSA-N 441.944 5.672 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](CCCC)NC(=O)C=Cc1ccc(OCc2ccccc2)cc1 2331163352 ZRIGJTILEMMHGL-SANMLTNESA-N 446.591 5.154 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)Cc1ccc(C)cc1 2331216418 MXTQNWLKWWWFTJ-UHFFFAOYSA-N 444.527 5.673 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)CSc1ccccc1 2331282164 KVDONCUUWJVACO-UHFFFAOYSA-N 432.541 5.988 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1ccc(CC)cc1 2331293159 ZVHOBRVSSCTEOT-UHFFFAOYSA-N 440.539 6.410 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)CC1CCCCC1 2331331247 ZELNVKNBHRGMNE-UHFFFAOYSA-N 444.930 6.568 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)c3cccc(F)c3)c(Cl)c2)c1 2331385853 NPNZBIXNJVVQMN-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1cccc(F)c1 2331504147 RQWOVKJSCKGHLK-UHFFFAOYSA-N 432.491 6.463 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2Cl)cc1 2331522799 GMWBAVZVMMBKEA-UHFFFAOYSA-N 438.838 5.520 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCc3ccccc3F)nnc2C2CCC2)cc1 2331523035 VVYAHNCXUOXANV-UHFFFAOYSA-N 438.572 6.038 30 10 IKEE CCCSc1nnc(C2CCC2)n1N=Cc1ccc(OCc2ccccc2)c(OC)c1 2331535586 XQSQDMRJAYFSOW-UHFFFAOYSA-N 436.581 5.518 30 10 IKEE CC(C)(C)CC(=O)Oc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1Br 2331558842 IZAAPQGZGJBQBP-UHFFFAOYSA-N 437.280 5.965 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)Cc1ccccc1 2331673441 QNJAQJLVCVQTLU-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2)cc1 2331704621 MSMSBFFXUCRNIP-UHFFFAOYSA-N 428.528 6.273 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc(Cl)cc1 2331709322 DMMIUTJVMSJIBQ-UHFFFAOYSA-N 439.799 6.536 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1ccc(N(C)C)cc1 2331715260 AOUGKLKYSHOJRZ-UHFFFAOYSA-N 429.516 5.493 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)C(F)(F)F)c(Br)c2)c(C)c1 2331768855 PCXWVKORLFCXFN-UHFFFAOYSA-N 441.243 5.738 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccccc2)c([N+](=O)[O-])c1 2331794777 GOBOWWKLCXSTEA-UHFFFAOYSA-N 443.499 6.316 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Br)cc(COC)c1 2362291487 SVDRLKZTIYZKMN-RBUKOAKNSA-N 441.410 5.106 30 10 IKEE COc1ccc2ccccc2c1/C=N/c1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1 12482347 GBDAWFPEMKNTGY-WPWMEQJKSA-N 444.556 6.017 30 10 IKEE Cc1ccsc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2nc(SCc3ccccc3)nn21 17100746 YFDBENIACVLSPE-IBGZPJMESA-N 436.606 5.598 30 10 IKEE C[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@@H]2c1cc(F)cc(F)c1 19640467 SCZUUAROYDBCHV-AKJBCIBTSA-N 444.481 6.032 30 10 IKEE CCc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(Cl)cc2)cc1 20881771 BGAJWVWKHKTOFM-HRFSGMKKSA-N 428.963 6.882 30 10 IKEE CC(C)Oc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2O)cc1 21240722 LCLXUHBONZSXPB-WHLCRQNOSA-N 440.543 6.159 30 10 IKEE O=C(/C=C\N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(-c2ccccc2)cc1 33880775 NLVUVQWIHDMUQA-YPKPFQOOSA-N 436.477 5.891 30 10 IKEE Cn1cc(/C=C2\S/C(=N/c3ccncc3Cl)N(c3ccccc3)C2=O)c2ccccc21 39864508 ORKHZBOWAPJUPT-NOPZMTQPSA-N 444.947 6.035 30 10 IKEE C=CCc1ccccc1OCCCn1c(COc2ccc(Cl)cc2)nc2ccccc21 40232442 UYIXHZFGAIMSOJ-UHFFFAOYSA-N 432.951 6.466 30 10 IKEE COc1ccc(OCCCC(=O)Nc2sc(=S)c3c(c2C#N)CC[C@H](C)C3)cc1 41015612 DWOVZTICPVFUPW-AWEZNQCLSA-N 428.579 5.280 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc(OC(=O)c3cc4ccccc4o3)c2C)C1=O 41352459 FVBXKFLUQUVBPO-UCQKPKSFSA-N 440.451 5.975 30 10 IKEE Cc1ccc(CN2COc3c(cc4c(c3C)O/C(=C\c3ccc(N(C)C)cc3)C4=O)C2)cc1 41589335 KRHLQISEVGHCPM-MXAYSNPKSA-N 440.543 5.338 30 10 IKEE C=CCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1OC 59198968 KBOFAUGUUOVDKD-WPWMEQJKSA-N 446.572 6.203 30 10 IKEE Cc1cc(C)cc(C/N=C2/NC(=O)/C(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)S2)c1 59432611 PNLDWLZUIVRJPR-YDZHTSKRSA-N 433.552 5.610 30 10 IKEE C/C(=N\Nc1nc(SCc2nnc(-c3ccccc3)o2)n[nH]1)C12CC3CC(CC(C3)C1)C2 59817138 CWWZCEBTSVTUSA-AFUMVMLFSA-N 449.584 5.151 30 10 IKEE C=CC[C@H](Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1ccccc1 72262814 CNBBFMJUIYJVCV-NRFANRHFSA-N 444.625 6.736 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 100351612 VHNLTAOOLJKMRA-FHAGJXEFSA-N 440.971 7.424 30 10 IKEE CCCCCCCC(=O)Nc1cccc([C@@H]2NC(=O)N(CCCC)C(C)=C2C(=O)OC)c1 102993698 ZPFRNWYPIJAYMS-QHCPKHFHSA-N 443.588 5.299 30 10 IKEE C/N=c1\scc(-c2ccccc2F)n1/N=C(/C)c1ccc2ccccc2c1OC(F)F 105799204 SNDGZDLKUIEDSI-ZRQFIYCGSA-N 441.478 5.913 30 10 IKEE COc1cc(/C=N/Nc2cccc(C(=O)O)c2)ccc1OCc1ccc(Cl)c(Cl)c1 169876887 YKADOBCYMLASQV-BRJLIKDPSA-N 445.302 5.725 30 10 IKEE CCCOc1c(Br)cc(/C=N/Nc2ccc(OC)c(Cl)c2)cc1OCC 169877327 OGOKQNLPYOOVAR-WSDLNYQXSA-N 441.753 5.745 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc(C)c2)c1 169966504 GCKGJHQNLFHIHB-DEOSSOPVSA-N 427.500 5.485 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2cccc(C)c2)cc1 169971765 XBIDEDCRXAFJBZ-QFIPXVFZSA-N 435.426 5.065 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2cccs2)cc1 169984981 ZBAQIELVUKZJOR-QFIPXVFZSA-N 433.529 5.547 30 10 IKEE CCCCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccn2)cc1 169993595 AFCYTVIXTKQVAY-DEOSSOPVSA-N 426.516 5.516 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccccn1 169996693 PHUSQRIOCAABPK-QFIPXVFZSA-N 443.890 5.308 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2C2CCCC2)cc1 170033975 FXHMVFUGEVPLQI-QHCPKHFHSA-N 437.511 5.444 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccccc2F)cc1 170071369 QSFRVAUYFGAFAQ-OAQYLSRUSA-N 432.838 5.134 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2cccc(O)c2)c1 170079498 YMLDJFJTTWLJBW-DEOSSOPVSA-N 443.499 5.307 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2cccc(O)c2)cc1C 170080816 QWLRNMUTQSGSIO-AREMUKBSSA-N 449.506 5.945 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@@H]2c2sccc2C)cc1 170105891 QMYNBCRHKCOPTQ-OAQYLSRUSA-N 449.528 5.165 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2ccccc2)cc1 170113523 QJBGRAPBGCTQFY-RUZDIDTESA-N 435.479 5.631 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(C)c2)cc1C 170144027 SUJDPWUINZEMQV-XMMPIXPASA-N 445.515 5.464 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1cccs1 170160038 NNSPXMMCXHIZJL-QFIPXVFZSA-N 449.528 5.327 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccs2)c1 170163742 VCPYTSMOQJQMDK-NRFANRHFSA-N 425.550 5.448 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1ccccn1 170176437 VKOVQGXKUHKKDE-NRFANRHFSA-N 448.906 5.143 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccccc2)cc1C 170225335 CLMPJBMGGRALIC-RUZDIDTESA-N 441.527 5.712 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccccc1 170226781 DDQIUGZUUYFVKQ-QFIPXVFZSA-N 447.918 5.748 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2ccccc2)cc1 170229569 MAFUHRVYYMMKCN-HSZRJFAPSA-N 449.453 5.535 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2)ccc1OCC(C)C 170230514 ILICHSMTWTZGHY-XMMPIXPASA-N 445.515 5.401 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2c(OC)cccc2OC)[C@@H]1c1ccc(Cl)cc1 170236784 PVQOHCHWRZAKSQ-NRFANRHFSA-N 443.927 5.126 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccccc1F)c1cccc2ccccc12 170246887 VZWOXGXSYDQHIB-HSZRJFAPSA-N 443.499 5.819 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2cccc(O)c2)c1 170258461 CEMGNRPDGAPXGX-RUZDIDTESA-N 439.511 5.362 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(CC)cc2)cc1C 170268692 OBKMKKRHPDMBLP-XMMPIXPASA-N 433.548 5.477 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccccc1C 170274182 FCUKEISBIYEKJB-DEOSSOPVSA-N 443.543 5.972 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccc(Cl)c(Cl)c1)c1ccccc1 170379510 KHDJRGOZPDCRLU-FQEVSTJZSA-N 442.273 5.915 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]1c1cccs1)c1ccco1 170416066 BWXNODSYZPHVAX-QGZVFWFLSA-N 433.407 5.138 30 10 IKEE Cc1cccc(Oc2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@H]3c3cccs3)cc2)c1 170476505 KGTTWVMCQYCUMW-JOCHJYFZSA-N 433.529 5.974 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)NC[C@@H]1CCCC[C@H]1C(=O)OC 170506425 HLHLGLYWCAIJOU-LOSJGSFVSA-N 437.709 7.344 30 10 IKEE C=CCOc1cc(C(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)cc2sccc12 222290635 PTZZPKQTYISEEA-UHFFFAOYSA-N 445.544 5.536 30 10 IKEE C=CCOc1cc(C(=O)N2CCC(c3nc(-c4ccc(C)cc4)no3)CC2)cc2occc12 222296218 HTNXDYYNDUZQED-UHFFFAOYSA-N 443.503 5.376 30 10 IKEE COc1cc(/C=C2/SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)ccc1O 252620932 MPKUGXXCDXKNSL-ZQXLJOGCSA-N 430.529 5.826 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1ccc2ccccc2c1 253576716 WEDMNVIPOYLZFW-UHFFFAOYSA-N 428.561 5.632 30 10 IKEE CCOc1ccc2c(c1)S/C(=C/NN=Cc1ccc(OCc3ccccc3)cc1)N2C 254352017 OAKMWEHGFGSNHW-YCUWLENXSA-N 431.561 5.629 30 10 IKEE CCN1C(=O)/C(=C2/Sc3ccccc3N2C)SC1=Nc1cccc(C(F)(F)F)c1 254828414 MEQKKQNRCGBEPY-XXBQRLLBSA-N 435.496 5.699 30 10 IKEE COc1cc(/C=C2\SC(=Nc3ccccc3)N(c3ccccc3)C2=O)ccc1OCC#N 254875476 VRTXUZWVUALUEM-XFFGVCMQSA-N 441.512 5.406 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)ccc1F 407854577 GWVZOAMUJLTHLL-ZWKOTPCHSA-N 429.374 5.488 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccnc2)cc1Cl 526491481 OBISYYLJVKZIJZ-QFIPXVFZSA-N 431.879 5.063 30 10 IKEE CCCOc1cccc([C@@H]2C(c3ccc(OC)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)c1 526517629 VRSDAYOUNXUEJE-RUZDIDTESA-N 440.499 5.413 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccs1 526608728 MVBNYANQKVFYLS-IBGZPJMESA-N 427.312 5.984 30 10 IKEE COc1ccc(/C=N\n2c(C)nnc2SCc2ccccc2Cl)c(Cl)c1OC 526817176 VUEWYJGTGXVBMG-YVNNLAQVSA-N 437.352 5.085 30 10 IKEE CCCCCCCOC(=O)C1=C(C)N=C2Nc3ccccc3N2[C@H]1c1ccc(OC)cc1 606630879 SLMRYZTWLRWTNB-DEOSSOPVSA-N 433.552 5.826 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@](C)(C#N)[C@@H]1CC2CCC1CC2 698491601 ZCYAUQGWIDNOEJ-URXWTJJYSA-N 433.390 6.299 30 10 IKEE CC(C)[C@@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Br)c2)CC1 698496743 IUGAQIHAESRHJI-VGOFRKELSA-N 435.406 6.689 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 698876389 UGKOIABLNKSMKR-KOSHJBKYSA-N 435.609 5.486 30 10 IKEE CCCCCCCCC[C@H](NC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 822109700 AFRZJNYDQDOGEZ-RPLLCQBOSA-N 445.692 5.885 30 10 IKEE N#Cc1nc(/C=C\c2ccccc2)oc1NC[C@@H](c1ccc(Cl)cc1)N1CCCCC1 1081077596 FIAPKYDADLZZIE-RFMKRLFESA-N 432.955 6.009 30 10 IKEE C=CCN1C(=O)/C(=C/c2c[nH]nc2-c2ccccc2)SC1=Nc1nc2ccccc2s1 1772724495 WZGRRXMAOFRWTB-YJFMCDHMSA-N 443.557 5.476 30 10 IKEE CCCCOc1ccc(/C=C2/SC(=Nc3cccnc3Cl)N(CC)C2=O)cc1OC 1772733701 AHYPKQXGCLFRLT-NLEVOZIKSA-N 445.972 5.546 30 10 IKEE N#Cc1ccccc1-c1nc(C(=O)NCCc2ccc(Cl)cc2Cl)c2ccccn12 1858352717 ATEIXPYCLVVBFM-UHFFFAOYSA-N 435.314 5.152 30 10 IKEE COc1ccc(-n2nc(C(=O)Nc3ccc(C#N)cc3)cc2-c2cccc3c2CCCC3)cc1 1859392226 ICEBWGZMJTZONI-UHFFFAOYSA-N 448.526 5.551 30 10 IKEE CC(=O)c1c(C)oc(NC(=O)Cc2ccc3oc(-c4ccc(Cl)cc4)nc3c2)c1C#N 1859486651 HWWGVTBTCSMEEZ-UHFFFAOYSA-N 433.851 5.305 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCC)NC(=O)COc1ccc(OC)cc1C(C)(C)C 1861623364 GWIAPLJIAWWBHJ-QFIPXVFZSA-N 448.648 5.133 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccccc2C)cc1C 1862400831 NXNJTIZXXJNRBC-XVWGUNQUSA-N 433.548 5.469 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@H]1c1ccc(O)cc1)c1ccc(F)cc1F 1862411311 DWQLWFAWWDHAFQ-QFIPXVFZSA-N 441.474 5.362 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(O)cc1 1862430122 CLKBAJODNBYPGJ-XWRIVVANSA-N 425.912 5.203 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@@H]2c2ccccc2F)c1 1862430165 DKARMYVLNVLLHT-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1cccc(Cl)c1)c1ccccc1Cl 1862432959 QWBRSJLJSGCFQC-HXUWFJFHSA-N 439.298 5.167 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cc(C)ccc2C)cc1 1862476252 HAJNOPOEOMUOFE-RUZDIDTESA-N 441.527 5.399 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2c(Cl)cccc2Cl)cc1 1862481317 CDTQMOPKIVSZFF-YWZLYKJASA-N 446.330 5.059 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCOc2ccccc2)c1 1862489793 HCWGNFIKJSKXGN-VWLOTQADSA-N 441.527 5.269 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1c(Cl)cccc1Cl 1862507844 AJWALPMGFPPQHO-IBGZPJMESA-N 436.310 5.819 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1c(Cl)cccc1Cl)c1cccc(O)c1 1862596267 CPGSKPAZBBASGY-HXUWFJFHSA-N 446.330 5.610 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(C(C)(C)C)cc1 1862610472 LZYCBACHZWOMPW-QMHKHESXSA-N 449.547 5.132 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2[C@H](C)CC)c1 1862622905 PHKPYKNANXFGBE-KOSHJBKYSA-N 449.591 6.150 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(CC)cc1 1862650282 RTLXKGGPLQLKNZ-RUZDIDTESA-N 443.543 5.407 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2)cc1 1862673056 BFTQXTJDLKZUHC-BXKMTCNYSA-N 429.491 5.728 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)cc1Cl 1862743713 DPBWUSXOEUFUOC-BBATYDOGSA-N 449.290 5.278 30 10 IKEE CCCCCCCCNC1=C(c2ccc(OCC)cc2)C(=O)N(Cc2ccc(C)cc2)C1=O 1863566211 YZVZPFAWJQGVMX-UHFFFAOYSA-N 448.607 5.624 30 10 IKEE CCCCCCCCCCNC1=C(c2cccs2)C(=O)N(Cc2ccc(C)cc2)C1=O 1863799935 WOJVQZUDSWKQBR-UHFFFAOYSA-N 438.637 6.067 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H](C)c2ccc(CC)cc2)=C(c2cccs2)C1=O 1863805358 UBYNCZIVCKEZJA-IBGZPJMESA-N 438.637 6.102 30 10 IKEE Cc1ccc(/C(=C/C(=O)N[C@H](C(=O)Nc2cccc(C#N)c2)c2ccccc2)C2CC2)cc1C 1866691758 ZDBQQDXRSPYAKL-RGFRMHDHSA-N 449.554 5.465 30 10 IKEE CCCc1nc(Nc2cccc(C#N)c2)cc(N2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)n1 1868379204 ZNIDJJNCGKCOMK-VGSWGCGISA-N 431.515 5.150 30 10 IKEE CCCCCCCOc1cn(CCC(C)C)c(CNc2ccccc2C(C)C)cc1=O 1870833537 MURVOZRLIZFKQM-UHFFFAOYSA-N 426.645 6.979 30 10 IKEE CCCCCCCOc1cn(CCCn2ccnc2)c(CNc2ccccc2C)cc1=O 1870839637 UNTMACBKLMKDJF-UHFFFAOYSA-N 436.600 5.405 30 10 IKEE C=CCn1cc(OCc2cccc(OC)c2)c(=O)cc1CNc1ccc(Cl)c(Cl)c1 1871054854 PEYILGSLEMHOJH-UHFFFAOYSA-N 445.346 5.541 30 10 IKEE C=CCn1cc(OCc2cccc(C)c2)c(=O)cc1CNc1cccc(C(F)(F)F)c1 1871069921 FWGMODGGSZXYJU-UHFFFAOYSA-N 428.454 5.553 30 10 IKEE CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(-c2ccccc2C)cc1 1871252402 ZDDQQUNFYZOPHI-UHFFFAOYSA-N 449.554 5.906 30 10 IKEE CCc1ccc([C@@H](C)N2COc3cc(C)c4c(c3C2)O/C(=C\c2cccc(F)c2)C4=O)cc1 1871354226 LEAGCSRESJSIGC-DBXOKZBGSA-N 443.518 6.226 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccco4)cc(C)c3C2=O)c2ccccc21 1871369424 LBFANORFCCQJRJ-AAQJHNGBSA-N 439.467 5.798 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OC(=O)/C=C/c4ccc(Cl)cc4)c3C)C2=O)cc1 1871375013 OIXWUYPAYUEIEO-QJYQMIDQSA-N 444.914 6.446 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3c(ccc(OC(=O)CCc4ccccc4)c3C)C2=O)c1 1871385975 WWJHSCCDUMUNEH-JLPGSUDCSA-N 444.483 5.167 30 10 IKEE Cc1cc(O[C@H](C)C(=O)Nc2ccc(F)cc2)cc2c1C(=O)/C(=C/C=C/c1ccccc1)O2 1871403167 TVADAVFKXHNTEV-OLNRZTGUSA-N 443.474 5.713 30 10 IKEE Cc1c(OCC(=O)Nc2cccc(C(F)(F)F)c2)ccc2c1O/C(=C\c1ccco1)C2=O 1871418420 SOLRFFWGPOFOQT-ODLFYWEKSA-N 443.377 5.241 30 10 IKEE O=C1/C(=C/c2ccccc2F)Oc2cc(OCc3c(Cl)ccc(Cl)c3Cl)ccc21 1871427975 BCZQWJUUUCMWPF-UKWGHVSLSA-N 449.692 6.981 30 10 IKEE O=C1/C(=C/c2ccc(F)cc2)Oc2cc(OCc3c(Cl)ccc(Cl)c3Cl)ccc21 1871428397 ZDHPUAOQHXQRAA-UKWGHVSLSA-N 449.692 6.981 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(C(C)C)cc2)cc2c1C(=O)/C(=C/c1cccc(F)c1)O2 1871435553 RIGDRQNVEGEKKZ-CFRMEGHHSA-N 445.490 5.891 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OCCC(=O)Nc3ccccc3)cc(C)c2C1=O 1871446824 JAEULJGQPNYRPE-HAHDFKILSA-N 429.472 5.027 30 10 IKEE C=CCN(CC=C)c1nc(=NCc2ccc(F)cc2)nc(Nc2ccc(CCCC)cc2)[nH]1 1871501754 GAHVLEVUGVHGGS-UHFFFAOYSA-N 446.574 5.309 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(F)cc1)[C@@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1871874098 NMNWCRYTMCBPGO-MBSDFSHPSA-N 446.588 5.063 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccccc1CC)[C@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872494613 LUTPQAKCKGSYKQ-JPYJTQIMSA-N 446.588 5.008 30 10 IKEE C=CCN([C@@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 1872562516 SISZCCVYJBVOLT-RUZDIDTESA-N 448.588 5.169 30 10 IKEE N#C[C@H](C(=O)c1ccccc1Br)c1nc(-c2cccc3ccccc23)cs1 1872774719 AEAIKCAABAGBCQ-GOSISDBHSA-N 433.330 6.216 30 10 IKEE COc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1 1872777372 LVNWXZKSJFHADE-HXUWFJFHSA-N 434.561 5.544 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@H](C#N)C(=O)Cc2ccc(OC(C)C)cc2)n1 1872780252 DJRSAPDHJAKVOO-OAQYLSRUSA-N 434.561 5.642 30 10 IKEE COc1cc(OC)c(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)s3)n2)cc1Cl 1872783384 YPTHRODLCQMFML-JTQLQIEISA-N 439.345 5.686 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)/C=C/c2ccccc2Cl)n1 1872786546 MWNXZWHUJNRDMZ-IWAYRVGRSA-N 443.355 6.324 30 10 IKEE Cc1ccc(OCc2nc3ccc(C(=O)Nc4cccc(C#N)c4)cc3[nH]2)c(C(C)(C)C)c1 1872804758 JFELDGGTISIJGG-UHFFFAOYSA-N 438.531 5.872 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(F)cc2)C(=O)N([C@H]2CCCC[C@H]2C)C1=O 1873137699 KPEORQXFNMTKRI-OFNKIYASSA-N 442.619 6.215 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCCCC)=C(c2ccccc2[N+](=O)[O-])C1=O 1873139755 BNFKBZGSSQMHBY-UHFFFAOYSA-N 429.561 5.205 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2C(=O)OC)=C(c2ccccc2)C1=O 1873414270 ZHMVXNVEIWVANF-UHFFFAOYSA-N 434.536 5.026 30 10 IKEE C=CCOc1ccccc1OCC(=O)Nc1nccc(-c2ccc(Cl)cc2Cl)n1 1873694995 XJADASCUJUZPEW-UHFFFAOYSA-N 430.291 5.033 30 10 IKEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3ccccc3OCC(C)C)c(=O)oc2c1 1873956073 CQSMATWSYWVWDW-UHFFFAOYSA-N 449.547 5.662 30 10 IKEE CCCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc(N(CC)CC)cc1 1874342714 FGYJIXJYPNLOMA-KOEQRZSOSA-N 442.032 5.753 30 10 IKEE Cc1ccccc1/C=N/n1c(COc2ccccc2)nnc1SCc1ccc(Cl)cc1 1874385291 ITGWJOITHOCMOE-CVKSISIWSA-N 448.979 5.993 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874395524 OWCYUETUPXGFSR-LEBHPONQSA-N 443.532 5.513 30 10 IKEE CCCSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1cccc(Br)c1 1874399972 YTGUFVMHWXAKJF-QQHUYRGFSA-N 429.387 5.577 30 10 IKEE COc1ccccc1/C=N/n1c(CC2CCCCC2)nnc1SCc1cccc(F)c1 1874406279 FNZUDJQPRMXCFY-WGOQTCKBSA-N 438.572 5.723 30 10 IKEE Cc1ccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2c[nH]c3ccccc23)cc1 1874406813 WUDFZSAYHTVKCM-OGLMXYFKSA-N 443.620 6.365 30 10 IKEE Clc1cccc(CSc2nnc(Cc3cccs3)n2/N=C/c2cccs2)c1 1874414574 YZDLGBFQLBAISZ-CIAFOILYSA-N 431.011 5.820 30 10 IKEE Cc1ccccc1CSc1nnc(-c2cccs2)n1/N=C/c1cc(Cl)ccc1O 1874421146 XHPOWOLPQFQJMU-FSJBWODESA-N 440.981 5.849 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3nc(O)c4ccccc4n3)nnc2C2CCCC2)cc1 1874456527 WPHZYFKONMAFLD-AFUMVMLFSA-N 444.564 5.067 30 10 IKEE CN(C)c1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C(F)(F)F)cc1 1874462674 ZSTBGDQPONHGTQ-BHGWPJFGSA-N 439.894 5.191 30 10 IKEE Cc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874533297 BIPMVHZYZCGQCG-FSJBWODESA-N 437.912 5.476 30 10 IKEE Cc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874535851 ZMDYNOLKTKZMFL-CVKSISIWSA-N 448.979 5.993 30 10 IKEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1ccc2c(c1)CCCC2)NCc1ccco1 1874572056 ULBHWLNVRYDGLR-PKNBQFBNSA-N 449.934 5.403 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(Cl)cc2/C=C/C(=O)c2cc(C)ccc2C)o1 1874580637 YHRXAWQQXHDZJT-JXMROGBWSA-N 438.907 6.202 30 10 IKEE COc1cccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)c1OCC(=O)Nc1ccccc1 1874585831 HRFWOWOOYIAVQS-CCEZHUSRSA-N 443.543 5.842 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(Cl)c1OCc1ccccc1 1874602647 XCYUIGZWHCGGGZ-SDNWHVSQSA-N 428.915 6.977 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2)c1 1874624255 TXBSFAGCNDEBJQ-CXUHLZMHSA-N 427.544 6.340 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc(OC)c1OCCc1ccccc1 1874629628 MGROXMDIXDYPOZ-VAWYXSNFSA-N 446.543 5.847 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OCC(=O)Nc2ccccc2F)cc1 1874629874 ZJXWUOHBFVJVRM-JLHYYAGUSA-N 433.479 5.365 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OCc2cccc(Cl)c2)cc1 1874633438 BXNDDBDPBWJNIY-DHZHZOJOSA-N 427.327 6.786 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OCc1ccc(F)cc1 1874634066 JVFNUSXCNZLJER-JXMROGBWSA-N 438.926 6.888 30 10 IKEE C=CCOc1c(Br)cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1OC 1874635305 KTCDOXDCHGHQPU-PKNBQFBNSA-N 443.381 6.525 30 10 IKEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(OC)c(Cl)c3)cc2)o1 1874635982 CXJSIXIKWWQNQL-BJMVGYQFSA-N 426.852 5.203 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(Cl)cc3Cl)c2)c1 1874695671 NFWOKDVARCUKDR-DHZHZOJOSA-N 439.338 6.654 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC(=O)CCc2ccccc2)c1 1874710248 YFQGGRBAENTPHE-DTQAZKPQSA-N 442.555 6.427 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1OC(=O)c1cccs1 1874718306 UHRQRACLINWBBM-XBXARRHUSA-N 433.312 6.179 30 10 IKEE CCOc1cccc(C(=O)Oc2cccc(/C=C/C(=O)c3cc(Cl)ccc3Cl)c2)c1 1874718956 SWDYTSNILPYODL-FMIVXFBMSA-N 441.310 6.507 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OC(=O)c1ccc(C)c(C)c1 1875115077 LMKGZDJZDDNRRB-VGOFMYFVSA-N 430.500 5.826 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)c1cccc2ccccc12 1875119772 LYUWBQRYFZJADG-JQIJEIRASA-N 438.479 5.972 30 10 IKEE Cc1ccc(C)c(OCC(=O)Oc2ccc(/C=C/C(=O)c3cccc(Cl)c3)cc2)c1C 1875123599 UTOKAMAYSDFPDZ-SDNWHVSQSA-N 434.919 6.146 30 10 IKEE O=C(Cc1ccccc1F)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1Cl 1875126251 WYOWVDPECHDTNF-VZUCSPMQSA-N 429.274 6.177 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OCC 1875126555 NGCBLWCBSBSCPV-NTEUORMPSA-N 449.374 7.164 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc([N+](=O)[O-])c1OC(=O)c1ccccc1C 1875127180 RLRVSTKSDQJXLM-BUHFOSPRSA-N 431.444 5.417 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)CCOc1ccccc1 1875133526 YZLMDHJNSUUQRV-SDNWHVSQSA-N 446.499 5.283 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)c1ccccc1F 1875141315 YHIYIQMZTDTHRT-DHZHZOJOSA-N 438.426 5.406 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3cccc(C)c3C)cc2)cc1F 1875152446 MLXMRTNJJFNFEZ-UKTHLTGXSA-N 434.463 5.332 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3Cl)c(OC)c2)cc1F 1875153765 WYENJEVODWKSEP-JXMROGBWSA-N 440.854 5.612 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2Cl)c(C)c1 1875175484 RKYKLUBGXXSXQZ-JXMROGBWSA-N 448.946 6.454 30 10 IKEE COc1cc([C@@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)ccc1Br 1876908150 VNDOKFCBFBQPHQ-MRXNPFEDSA-N 437.359 5.521 30 10 IKEE C#CC[C@H](C[C@@H](NC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C1CC1 1887464979 QNWLTRIQQUDAMX-IXCJQBJRSA-N 439.599 6.545 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@H]1c2ccccc2CCN1C(=O)OC(C)(C)C 1922094019 HWRYSJCWGKLGDT-RPBOFIJWSA-N 436.596 5.272 30 10 IKEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1930347761 FYYUJTIJDZKSQH-NLFFAJNJSA-N 443.588 5.353 30 10 IKEE CC(C)(C(=O)O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C#N)s1 1951882750 ACKHLYFNKMZBSI-QFIPXVFZSA-N 446.528 5.310 30 10 IKEE N#Cc1ccc([C@@H](CCNC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)O)cc1 1951949964 SONBBJDDGXJANL-FQEVSTJZSA-N 440.499 5.045 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)cc1 2013403156 AALMOTSKPWMXDG-KOSHJBKYSA-N 429.561 5.322 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 2020309041 OKOAKFUMUFNQKA-UZUQRXQVSA-N 449.617 5.415 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@]2(C)CCCN2C(=O)OC(C)(C)C)cc1 2020804716 RZAFPXFMWCSPMA-YADARESESA-N 429.561 5.418 30 10 IKEE CCN1CC(=Cc2cccc(Cl)c2Cl)C(=O)C(=Cc2cccc(Cl)c2Cl)C1 2052963883 WCOCFSZLWNCZDP-UHFFFAOYSA-N 441.185 6.672 30 10 IKEE C=C1CC(C[C@H](NCC)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1 2071268941 YOUONHLQTWEIAT-MHZLTWQESA-N 427.588 6.852 30 10 IKEE CC(C)c1ccc([C@H](C(C)C)n2nc(C3(C)CC3)c(C#N)c2I)cc1 2079954649 OWWDECSELVXZQK-SFHVURJKSA-N 447.364 5.780 30 10 IKEE CC(C)(C)[C@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)(F)F)c(CN)c1Cl 2079977338 KWJRMVZNFDQTSW-ZDUSSCGKSA-N 431.783 5.807 30 10 IKEE CC[C@@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C2CC2)c(C=NO)c1Br 2079992245 AKLZWTPESWCAAF-AWEZNQCLSA-N 434.231 5.488 30 10 IKEE N#Cc1c(C2CCCCC2)nn2c(O)cc(-c3cc(F)c(F)cc3Br)nc12 2080848596 QMABVFHJNGUVAA-UHFFFAOYSA-N 433.256 5.062 30 10 IKEE Fc1cc(-c2c(C3CCC3)nn(C(F)(F)F)c2Br)cc(C(F)(F)F)c1 2080850129 ZATHBQCZBDDTTR-UHFFFAOYSA-N 431.149 6.214 30 10 IKEE COC(=O)c1c(C(F)(F)F)nn2c(Cl)cc(-c3cccc(C(F)(F)F)c3F)nc12 2081199316 OLZVKKQWGGZTMJ-UHFFFAOYSA-N 441.690 5.013 30 10 IKEE COc1c2c(nc3c(-c4c(F)cccc4C(F)(F)F)c(C(F)(F)F)nn13)CCCCC2 2081465833 HNSWFYOCTAIEAO-UHFFFAOYSA-N 447.354 5.851 30 10 IKEE C=C([C@@H](NCCC)c1ccc(Br)cc1I)C(C)(C)C 2142284491 DBQUXPTVNSONAI-OAHLLOKOSA-N 436.175 5.697 30 10 IKEE C=CCN(CC[C@H](NCCC)c1c(C)ccc(Br)c1F)C(=O)OC(C)(C)C 2155521237 MBRXVDNXPGJLGR-KRWDZBQOSA-N 443.401 5.751 30 10 IKEE CN(Cc1ccccc1CNc1ccc(Br)cc1C#N)C(=O)OC(C)(C)C 2162380568 ZVRFBBOYNXJANQ-UHFFFAOYSA-N 430.346 5.300 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(Nc2ccc(Br)cc2C#N)cc1 2162388595 ZXJAVTMHVWQLTJ-PKOBYXMFSA-N 428.330 5.445 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CN(c2ccc(Br)cc2C#N)C2(CCCCC2)C1 2174808880 SUUBSSJLDJOZFY-KRWDZBQOSA-N 434.378 5.127 30 10 IKEE Cc1ccc(NC(=O)OC(C)(C)C)c(C(=O)Nc2ccc(C#N)c(Br)c2)c1 2181138851 GSJIMHVULMDFNU-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)Nc2ccc(Br)c3ccccc23)C1 2197752517 KQWRRZJLDBQDRP-UHFFFAOYSA-N 431.330 5.154 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](Cc2ccc(Br)cc2F)NCCC)C1 2197753981 OOYXTQYNANBSCM-SFHVURJKSA-N 441.385 5.112 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[C@H]2Nc2cc(Br)ccc2C#N)C1 2233764394 RIXQHHZHYDYNTI-KBAYOESNSA-N 434.378 5.158 30 10 IKEE CCN[C@H](C#Cc1ccc(Cl)cc1)c1csc(Br)c1Br 2239559249 OQXOSGHXCHTMRS-CYBMUJFWSA-N 433.596 5.629 30 10 IKEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)CC1CCCC1 2267236755 FFHBNILTKOIYEU-UHFFFAOYSA-N 433.401 5.127 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)CC1(NC(=O)OC(C)(C)C)CCC1 2296309802 AUZJPOLMAJXNAM-IBGZPJMESA-N 435.406 5.006 30 10 IKEE CCOc1ccc(C=C2SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1 2296826669 ADJNNHIPEIGAFE-UHFFFAOYSA-N 428.557 6.511 30 10 IKEE Cc1cc(C)cc(-n2c(C)cc3c2CC(C)(C)CC3=NOC(=O)C=Cc2ccccc2)c1 2314524229 VGNZPHMXMYCONI-UHFFFAOYSA-N 426.560 6.336 30 10 IKEE CC[C@@]1(C)N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2315227680 DBYHPEQBHUXRKK-JWQCQUIFSA-N 449.636 6.018 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(O)c(OCC)c1 2318571431 KKVBEHNWCQZCPD-UHFFFAOYSA-N 444.988 5.553 30 10 IKEE CCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(OC(C)C)c(Cl)c1 2318574027 DEAPQRGOLLRSIK-UHFFFAOYSA-N 432.952 5.595 30 10 IKEE FC(F)(F)c1nnc(S)n1N=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2321757960 IIOXWFYDBQBZKW-UHFFFAOYSA-N 447.269 5.354 30 10 IKEE O=C1C(=Cc2ccc3c(c2)OCO3)Oc2c1ccc1c2CN(Cc2ccc(Cl)cc2)CO1 2321957280 GBRUFEZOKXHDDJ-UHFFFAOYSA-N 447.874 5.037 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O3)CN(CCCN(C)C)CO2 2322034952 SCKRYGZFBKGOKT-UHFFFAOYSA-N 434.580 5.012 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2sccc2C)C3=O)cc1OC 2322748668 RHIVMDRLSIAQPN-UHFFFAOYSA-N 436.485 5.218 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc(F)cc1 2322748688 UEONARFQXOOTGA-UHFFFAOYSA-N 437.898 6.010 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccccc2OCC(=O)Nc2cc(C)ccc2C)c(C)c1 2322945282 MMVCLDGAQQDNJV-UHFFFAOYSA-N 427.544 6.142 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OCc3c(Cl)cccc3Cl)c2)cc1 2323076352 WGWATZYNRJZHCA-UHFFFAOYSA-N 439.382 7.811 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1OCc1ccc(C)cc1 2323081476 YVDPXKLNMOCPQJ-UHFFFAOYSA-N 437.333 6.241 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(=O)CCc4ccc(Cl)cc4)cc(C)c3C2=O)c1 2323106019 GYFDOOAMYBNXPW-UHFFFAOYSA-N 448.902 5.811 30 10 IKEE Cc1cc(OC(=O)c2c(F)cccc2Cl)cc2c1C(=O)C(=Cc1ccccc1Cl)O2 2323353608 SQWPOOKEDOGILQ-UHFFFAOYSA-N 443.257 6.276 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2ccc(OC)c(C)c2)cc1 2323560954 CWEMLCPOTAVXOF-UHFFFAOYSA-N 429.516 5.480 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(OC)c2)C3=O)c1 2323800861 ZANYGUZTWLGFBJ-UHFFFAOYSA-N 430.456 5.238 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1OCc1cccc(C)c1 2323907928 SWCHSARRHMOXJB-UHFFFAOYSA-N 431.488 6.085 30 10 IKEE O=C1C(=Cc2ccccc2)Oc2c1ccc(O)c2CN(C1CCCCC1)C1CCCCC1 2324041891 ACAYKTLDNILUCS-UHFFFAOYSA-N 431.576 6.476 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(C)cc2)C3=O)cc1 2324451309 XNTUHAQIBYEQSB-QGZVFWFLSA-N 429.472 5.026 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OCc2ccc(F)cc2)c([N+](=O)[O-])c1 2324704064 MWPUHYAFBWOVLX-UHFFFAOYSA-N 441.842 5.871 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccccc1[N+](=O)[O-] 2325532324 OUCZNWNAKRKBOX-UHFFFAOYSA-N 445.548 5.857 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3cc(OCC(=O)Nc4nccs4)ccc3C2=O)cc1 2325586877 BRJMTWSBGGQSEL-UHFFFAOYSA-N 434.517 5.074 30 10 IKEE Cc1c(OCC(=O)Nc2nc3ccccc3s2)ccc2c1OC(=Cc1ccccc1)C2=O 2325590245 KYZRGWCYEQIDAY-UHFFFAOYSA-N 442.496 5.238 30 10 IKEE CCCCCOc1ccc(C=Nn2cnnc2SCc2cccc(F)c2)cc1OC 2325649370 XENFSLSEKAAIFH-UHFFFAOYSA-N 428.533 5.169 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cccc4ccccc34)c2)cc1 2325718299 UZCGZKOMSKQKNB-UHFFFAOYSA-N 438.479 5.972 30 10 IKEE Cc1cc(C)c(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2sccc2C)C3=O)c(C)c1 2325737110 POPDXOXYTOOMKU-UHFFFAOYSA-N 447.556 5.924 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1cccc(F)c1)C2=O 2325737458 BCAMJOAVLRMAOS-UHFFFAOYSA-N 431.463 5.330 30 10 IKEE Cc1cc(C(=O)C=Cc2cccc(OC(=O)c3ccc(-c4ccccc4)cc3)c2)ccc1F 2325741866 OECJFRBXBGVBOO-UHFFFAOYSA-N 436.482 6.916 30 10 IKEE CSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1ccc(F)cc1F 2325906991 XVXUQOHKVUZQMX-UHFFFAOYSA-N 429.279 5.046 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1cccc(OC)c1 2326017291 GRKPINJUUMNCHL-UHFFFAOYSA-N 442.972 5.112 30 10 IKEE CCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1ccccc1C(F)(F)F 2326323841 NLGGAMGKGSRHFE-UHFFFAOYSA-N 446.542 6.331 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1N=Cc1cccc(OCC(C)C)c1 2326736189 CPUQUMXHANCATH-UHFFFAOYSA-N 440.588 5.969 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2Cl)n1N=Cc1cccc(OC)c1 2327649213 URKZRUQXDKKMBS-UHFFFAOYSA-N 428.945 5.070 30 10 IKEE CCCCC1CCC(c2nnc(SC)n2N=Cc2cc(OC)c(OC)cc2OC)CC1 2328103591 ZOVXFFYVRVXYLN-UHFFFAOYSA-N 446.617 5.372 30 10 IKEE Cc1ccsc1C=Nn1c(CCOc2ccccc2)nnc1SCc1ccccc1 2329193215 FXRYRFKGUFGKBV-UHFFFAOYSA-N 434.590 5.444 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2ccc(F)cc2F)cc1 2329941835 RMEMVOPAVFQHJE-UHFFFAOYSA-N 448.542 5.938 30 10 IKEE COc1ccccc1C=Nn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1 2330651719 MESQFUPXZNDMDE-UHFFFAOYSA-N 445.504 5.036 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cccs3)c(Cl)c2)cc1 2330831101 QDWTWOPRPXKTQE-UHFFFAOYSA-N 438.976 6.788 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Br)c(OC(C)=O)c(OCC)c2)cc1 2330844839 CTMLJGLOLKKSMC-UHFFFAOYSA-N 445.353 6.012 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)cc3)c(OC)c2)cc1C 2330880153 FBWUDQXPVOGGJB-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2[C@@H]2CCCO2)cc1 2330951946 CBJXUGTYHSHLAJ-QHCPKHFHSA-N 449.624 5.459 30 10 IKEE C=CCSc1nnc([C@H]2CCCO2)n1N=Cc1ccc(OCc2ccccc2C)cc1 2330974724 LKRVONYDBLHPPW-JOCHJYFZSA-N 434.565 5.177 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)c1ccc(F)c(F)c1 2331231756 XSTDAXNVINZWTO-UHFFFAOYSA-N 436.454 6.096 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1cccc(F)c1 2331371956 WKHRDXVTGKHWIA-UHFFFAOYSA-N 434.463 5.657 30 10 IKEE COc1ccc(OC)c(C=Nn2c(SCc3ccccc3Cl)nnc2C(C)(C)C)c1 2331398075 CVMBVHIDNTZBHA-UHFFFAOYSA-N 444.988 5.421 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1ccc(C=CC(=O)c2ccc(F)cc2)cc1Cl 2331520985 WCTHXITUKSZRAF-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1 2331554950 UKGGVKUNHNGSQL-UHFFFAOYSA-N 438.426 5.244 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cc(Cl)c(OC(=O)C(F)(F)F)c(OC)c2)cc1C 2331835057 FOBNEUJVRRTXNC-UHFFFAOYSA-N 442.817 5.338 30 10 IKEE C[C@@H](c1cccs1)N(Cc1ccccc1)c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339578186 CZSIRNTXIWZIAY-APHAIJBRSA-N 446.425 6.556 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)cc(OC2CC2)c1 2362733395 WYNFEIMYIKHYFA-MOPGFXCFSA-N 439.394 5.110 30 10 IKEE COC1(C#C[C@H](N)c2cc(Br)cc(NC(=O)OC(C)(C)C)c2)CCCCC1 2363605439 DTRDHILBXRXQJF-SFHVURJKSA-N 437.378 5.149 30 10 IKEE CCOc1cc(/C=N/c2ccc(S(=O)(=O)Nc3c(C)cc(C)cc3C)cc2)ccc1O 12583411 ZHVOXHJNBVNLCN-MFKUBSTISA-N 438.549 5.268 30 10 IKEE CCN1C(=O)/C(=C2\S/C(=N\c3ccc(C)c(Cl)c3)N=C2O)c2cc([N+](=O)[O-])ccc21 15015740 VVPTZVUPDBCKER-MSUUIHNZSA-N 442.884 5.025 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)c(Cl)c2)cc1 21220510 PHGXEUIVOGBBDD-NVXWUHKLSA-N 430.331 5.396 30 10 IKEE CC(C)Oc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OC(C)C)cc2)C3)cc1 21225008 YKQGRJIYAIKREF-OFNKIYASSA-N 433.548 5.265 30 10 IKEE C=CCN(CC=C)C(=O)Cn1c([C@H](C)c2ccc3cc(OC)ccc3c2)nc2ccccc21 27696306 KHKZMZWHBXAKIV-HXUWFJFHSA-N 439.559 5.551 30 10 IKEE C=CCC[C@@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1 36307195 JYCCCAFXZVECCW-JOCHJYFZSA-N 437.559 5.558 30 10 IKEE CCCCOc1ccc(/C=C2\S/C(=N/c3ccncc3Cl)N(C)C2=O)cc1OC 39864194 CKIOKWDMKVTGSS-FAXOLUSMSA-N 431.945 5.156 30 10 IKEE O=C1/C(=N/N(Cc2ccccc2)c2ccccc2)c2ccccc2N1CCOc1ccccc1 59167374 MFGXHSAZJYFTKQ-SJCQXOIGSA-N 447.538 5.523 30 10 IKEE C=CCn1c(C)cc(-c2csc(NC(=O)/C=C\c3cc(F)cc4c3OCOC4)n2)c1C 96925709 XSKFQOHIYIEHOI-WAYWQWQTSA-N 439.512 5.072 30 10 IKEE CC(C)(C)/N=C1\Nc2ccccc2N[C@@]12CCCN(C(=O)Nc1ccc(F)cc1F)C2 97088240 FWFPVRCPVAQXCR-HSZRJFAPSA-N 427.499 5.066 30 10 IKEE C/C(=N\OCc1ccc(F)cc1)c1cc(-c2ccccc2)n(-c2cccc(Cl)c2)c1C 97629516 OOORRRANWPXXFS-RDRPBHBLSA-N 432.926 7.186 30 10 IKEE CCCCCCCC(=O)N(CCCOC)CC(=O)N(Cc1ccccc1)Cc1ccco1 98017949 ANRBPRIGPDQAIF-UHFFFAOYSA-N 442.600 5.034 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)c1ccc(OCC)cc1OCC 100183370 CGPAKMWGTIJBHB-UHFFFAOYSA-N 433.677 7.695 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)S/C1=N/c1cccnc1 101124797 WFDKSJKKGDRRQQ-TVIFTAOPSA-N 444.343 6.272 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S/C1=N/c1nc(C)cs1 101129170 VVUFHMFGCIFWPN-OPZVMXLVSA-N 440.506 5.244 30 10 IKEE COc1ccc(C(=O)/C=C\Nc2cccc(N/C=C/C(=O)c3ccc(OC)cc3)c2)cc1 101510478 XIROYRISFHYXKK-QUDUTFMFSA-N 428.488 5.321 30 10 IKEE O=C(C[C@@H]1S/C(=N/c2ccccc2)N(CCCc2ccccc2)C1=O)Nc1ccccc1 101656439 PWLSRAYGEUZYSE-GYRUEZOASA-N 443.572 5.280 30 10 IKEE Cc1nc(N2C(=O)C(=O)/C(=C(\O)c3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)sc1C 103103899 GYBJYOPLFFSZRR-VZCCSQPZSA-N 442.899 5.179 30 10 IKEE CCCCCCOc1ccccc1[C@H]1NC(=S)N(CC)C(C)=C1C(=O)c1ccccc1 169931718 PXSXEYCIZOUBSO-XMMPIXPASA-N 436.621 6.054 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccc(N(C)C)cc2)cc1 169954158 LUHZVVSSNXWIKR-DEOSSOPVSA-N 426.516 5.152 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(OC(C)C)cc2)c1 169979337 NEJOEJXBEYIFLY-HSZRJFAPSA-N 435.520 5.003 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccccc2)cc1 170055255 FZONVTVSYWCSOX-XMMPIXPASA-N 445.490 5.045 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2c[nH]c3ccccc23)c1 170078183 ALUWCFPNXVMUHO-XMMPIXPASA-N 444.531 5.478 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)[C@@H]1c1ccco1 170095183 LAKSCAVGCMDWBP-LJQANCHMSA-N 443.377 5.090 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccco2)cc1 170098186 ZIBGPMZYPJQIPP-HXUWFJFHSA-N 446.484 5.071 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccs2)cc1 170156926 VZDVLDASJAJHEJ-QFIPXVFZSA-N 429.497 5.840 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2cccs2)cc1C 170158155 WGCHUVUDUOHYSE-JOCHJYFZSA-N 433.529 5.465 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2ccc(Cl)c(Cl)c2)c1 170246436 QWQZYYNROPTQMY-HXUWFJFHSA-N 448.346 5.771 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1c[nH]c2ccccc12)c1cc2ccccc2o1 170254214 AYAIZNOHNPYRTI-DEOSSOPVSA-N 434.451 5.697 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1c[nH]c2ccccc12 170255463 URWABAOXNGLJTF-QFIPXVFZSA-N 448.906 5.946 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@H]2c2cccc(O)c2)cc1 170262931 CWIWEZGRSVSEDK-QHCPKHFHSA-N 437.536 5.340 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C2CCCCC2)cc1 170266697 DXZYBWFDFNJSGW-AREMUKBSSA-N 439.555 6.313 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccc2C)cc1C 170271647 WHZXZXVYDLUMOO-VWLOTQADSA-N 441.527 5.712 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@H]1c1ccccc1C 170276896 WHHZTWJHUGRTQV-OAQYLSRUSA-N 446.572 5.805 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccco2)cc1C 170285106 JXGXJHWEPLVDJN-HJPURHCSSA-N 429.472 5.003 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccco2)cc1 170287653 WMMPHTVCDBQPGF-DEOSSOPVSA-N 445.515 5.940 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2sccc2C)cc1C 170316388 RCATYWTXAGUKMW-FQEVSTJZSA-N 437.517 5.135 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccncc1 170379919 FPAZLCWMQBRFKE-LJQANCHMSA-N 443.261 5.310 30 10 IKEE CCCCCCCCCCCCCCCCCCCCCCNc1ccc([N+](=O)[O-])cc1 205187095 JULIHKBBVPPDGJ-UHFFFAOYSA-N 446.720 9.829 30 10 IKEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 226835184 HTUGUMJAIGFAJZ-XFQAVAEZSA-N 435.376 5.284 30 10 IKEE O=C(c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1)N1CCCSC1=Nc1ccccc1 254396874 GFJZBLJSRJQKNH-UHFFFAOYSA-N 449.557 6.013 30 10 IKEE C(/C=C/c1ccccc1)=NN=C(NN=C/C=C/c1ccccc1)NN=C/C=C/c1ccccc1 254482930 HZUAMPDDPCIIEZ-RJSYDRFUSA-N 446.558 5.619 30 10 IKEE CCC(C)(C)[C@H]1CCc2sc3ncnc(NN=C(C)c4ccc5ccccc5c4)c3c2C1 254877471 CKEDGCDUCJJIIR-NRFANRHFSA-N 442.632 7.222 30 10 IKEE CCCCCCCCCC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@]12C 256165497 XXXNFLRIRGXPDQ-ROJUMVHJSA-N 440.668 7.604 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2c(C)n(C)c3ccccc23)c1 526606198 ISJVTPKWWNRZFE-SANMLTNESA-N 449.510 5.424 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(Cl)ccc2O)cc1 526743545 ITDFFMIBGCAEJB-HSZRJFAPSA-N 447.918 5.952 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2C)cc1O 526743630 BWHAWFZDOGLZKR-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1cccc(OCC(C)C)c1 526802063 ADKGZJYDVNBUFT-QFEZKATASA-N 426.561 5.579 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1cc(Cl)c(O)c(OC)c1 526804302 MQMUZWJUYJTOJU-FMCGGJTJSA-N 430.961 5.081 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccccc2F)c1 526819862 MOZKSESXHQYHLL-YUMHPJSZSA-N 430.552 5.799 30 10 IKEE CCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1c(OC)ccc2ccccc12 526823570 XXJYRGZVETVADP-YUMHPJSZSA-N 441.560 5.439 30 10 IKEE CCOc1ccc(/C=N\n2cnnc2SCc2ccc(Cl)cc2Cl)cc1OC 526823785 STDKMXAAMDQVEJ-RMORIDSASA-N 437.352 5.167 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)C[C@H]1C 698483881 LGKRZDXCANGFIC-HOYKHHGWSA-N 429.561 5.276 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@@H](C#N)c1cccc(I)c1 698493899 RULURSDNXQAAAY-KRWDZBQOSA-N 434.277 5.298 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@@H](C#N)c1cc(Br)cs1 698890025 GCYCFSYITSCWLQ-AWEZNQCLSA-N 427.751 6.170 30 10 IKEE CC[C@@](C#N)(C1CN(C(=O)OC(C)(C)C)C1)N(C(=O)OC(C)(C)C)c1cccc(C)c1 716118806 CQLYESGSXIYPPD-XMMPIXPASA-N 429.561 5.276 30 10 IKEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1cccc(Cl)c1Br 719727235 VZPRNGHQMPJAHP-INIZCTEOSA-N 444.801 5.246 30 10 IKEE C=CCC1([C@H](Cc2ccccc2Br)NCCC)CN(C(=O)OC(C)(C)C)C1 722907765 ANMUOLWFHOMSLB-IBGZPJMESA-N 437.422 5.173 30 10 IKEE O=[N+]([O-])c1ccc(C=Nc2ccc(C34C[C@H]5C[C@@H](CC(c6ccccc6)(C5)C3)C4)cc2)cc1 1081167940 VYVUKOXGKDCJMX-AEACUUAWSA-N 436.555 7.135 30 10 IKEE Cc1cccc(CSc2n[nH]c(NN=Cc3ccc(OCc4ccc(F)cc4)o3)n2)c1 1084101110 YSBAGPZGPDOEGU-UHFFFAOYSA-N 437.500 5.163 30 10 IKEE Oc1c(Br)cc(Br)cc1C=NNc1cc(Cl)ccc1Cl 1084184162 PGVDLZBQXLUALS-UHFFFAOYSA-N 438.934 5.670 30 10 IKEE CN(C(=O)[C@@H]1[C@@H](C=C(Cl)Cl)C1(C)C)[C@@H](C#N)c1ccccc1CCc1ccccc1 1088731047 OAYASILIDCOINE-GIWBLDEGSA-N 441.402 6.086 30 10 IKEE O=C1/C(=C\c2ccccc2)SC(=Nc2nc(-c3ccccc3)cs2)N1C1CCCCC1 1772739846 WAZSLQVQMTZCKS-OORCVBGGSA-N 445.613 6.747 30 10 IKEE Cc1ccc(-c2ccc(C(=O)Nc3c(C#N)cnn3-c3ccc4ccccc4n3)c(C)n2)cc1 1859760165 FKDACRBCHKEMJK-UHFFFAOYSA-N 444.498 5.223 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc(Cl)cc1Cl 1860729268 CDRKKZJQTHWWNB-FMIVXFBMSA-N 426.299 5.793 30 10 IKEE Cc1c(Cl)cccc1NC(=O)CSc1nc(O)c(C#N)c(-c2ccccc2Cl)n1 1860826640 HTILCGIWEUDZPN-UHFFFAOYSA-N 445.331 5.067 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)c1cccc(OCC)c1)c1ccccc1 1861347537 FKOCOEFNWBARTO-VWLOTQADSA-N 438.612 5.813 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](C)NC(=O)c1ccc2nc(CC(C)C)[nH]c2c1 1861451221 JCPHDKLIHLNJQR-IBGZPJMESA-N 428.621 5.137 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(OC)c2)cc1 1862390939 OXHPAFSZRUBBMN-XMMPIXPASA-N 433.548 5.559 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(OC)cc2)cc1 1862392197 RNIOGJMAYCMKHT-VWLOTQADSA-N 447.575 5.949 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccccc1Cl)c1ccc(F)cc1F 1862416738 KAKGCNUOXANCNQ-IBGZPJMESA-N 445.874 5.458 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(F)cc1 1862430511 LYCPVGXIBWVZNF-QRQCRPRQSA-N 435.882 5.819 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1c(Cl)cccc1Cl 1862442632 GDBUNWDALGFHNS-GOSISDBHSA-N 438.738 6.025 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc2cc[nH]c2c1)c1cccc(Cl)c1 1862446655 XLRJPVKXMVPGHI-OAQYLSRUSA-N 448.931 5.661 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2Cc2cccs2)cc1 1862456462 SBMLKRCKEJFPRU-FQEVSTJZSA-N 443.446 5.252 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2CC)cc1 1862465309 AZVCSMZBJRHKLH-OAQYLSRUSA-N 447.453 5.271 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCCN3CCCC3)[C@@H]2c2ccccc2C)c1 1862489642 FEGDJGYEDNHCQV-RUZDIDTESA-N 446.591 5.066 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@H]2c2ccc(F)cc2)c1 1862489955 KYAGIVOFXXLJMP-QHCPKHFHSA-N 449.909 5.874 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cccc(O)c1 1862506999 CSTSLBJXGHSTNR-QHCPKHFHSA-N 439.527 5.779 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccc(C)cc2)cc1 1862531732 BCUBUDBYWTZLKG-RUZDIDTESA-N 431.576 6.249 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2cccc(Cl)c2)cc1 1862560490 IWDKJGQTFJTSIP-QHCPKHFHSA-N 446.934 5.052 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(Cl)cc1 1862590860 AEFVKKZRWXZKGF-OYHNWAKOSA-N 433.891 5.385 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862614958 GXHLXEAKKIVMAA-VWLOTQADSA-N 439.555 6.071 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C(C)(C)C)cc3)[C@H]2c2ccccc2)cc1 1862617466 ZVQNYHWFTIKIQQ-RUZDIDTESA-N 439.555 6.071 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc2cc[nH]c2c1 1862651198 NFOBYCLQPAQFMK-RUZDIDTESA-N 438.527 5.946 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CC(C)C)cc1 1862656142 XIFBIGXUTGQPEQ-RUZDIDTESA-N 443.543 5.863 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccc(O)c2)cc1 1862663641 VJHFAEJSABWWKR-JOCHJYFZSA-N 433.529 5.356 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCC(C)C)cc1O 1862665626 LGJMLXNFHNYDJY-HSZRJFAPSA-N 437.536 5.149 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cccc(Br)c1)c1ccc(F)cc1 1862680762 JZBIIFAGIPHLOJ-IBGZPJMESA-N 444.300 5.109 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccc1 1862713187 JCWPZZDKMLQTEB-DVKBMCPXSA-N 425.528 5.997 30 10 IKEE Cc1cc(NC2=C(c3ccccc3F)C(=O)N(c3ccc(C#N)cc3)C2=O)ccc1C(C)C 1862925696 BGTUFDZEQDCVEP-UHFFFAOYSA-N 439.490 5.526 30 10 IKEE CC(C)(C)c1ccc(/C=C/C(=O)Nc2c(C#N)nnn2-c2cccc(C(F)(F)F)c2)cc1 1870140978 UEPGJWPSHUSBMH-FMIVXFBMSA-N 439.441 5.107 30 10 IKEE CCCCCCCCCCn1cc(OCCO)c(=O)cc1CNc1ccc(OCC)cc1 1870791509 ZDIYDYRQTBHUQK-UHFFFAOYSA-N 444.616 5.371 30 10 IKEE C#CCOc1cn(CCc2ccc(F)cc2)c(CNc2cc(Cl)cc(Cl)c2)cc1=O 1871004578 MWMNSAYJJOKMTG-UHFFFAOYSA-N 445.321 5.161 30 10 IKEE C=CCn1cc(OCCc2ccccc2)c(=O)cc1CNc1ccc(OCC)c(OCC)c1 1871141349 OREOWFXUUBNPLQ-UHFFFAOYSA-N 448.563 5.065 30 10 IKEE CCCCCCCCCCN=c1nc2c(cnn2C)c(Nc2cccc3ccccc23)[nH]1 1871299089 RIEJGLZEFPVBHE-UHFFFAOYSA-N 430.600 6.235 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc4c3CN([C@H](C)c3ccc5c(c3)CCCC5)CO4)C2=O)o1 1871354551 TXSSFDHBAXRTBM-SJJYNHATSA-N 441.527 5.996 30 10 IKEE Cc1cc(OC(=O)c2cccc([N+](=O)[O-])c2)cc2c1C(=O)/C(=C/C=C/c1ccccc1)O2 1871374133 SJVOENMOZVEMTO-SJBQCXTDSA-N 427.412 5.295 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 1871376772 XGBDHQHAGLRIGP-NARURQQJSA-N 432.475 6.160 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4cccc([N+](=O)[O-])c4)ccc3C2=O)cc1 1871377397 JFNYGXDSAQNFRZ-FDTILGBMSA-N 427.412 5.138 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(OC)c2)C3=O)cc1 1871388086 VVWRHZBBYYXVOB-IWIPYMOSSA-N 430.456 5.319 30 10 IKEE CC(C)C(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 1871390839 LMKLPXWABVUUCY-QRVIBDJDSA-N 446.430 5.223 30 10 IKEE Cc1c(OC(=O)c2ccc(OC(=O)C(C)C)cc2)ccc2c1O/C(=C\c1ccccc1)C2=O 1871391300 WWPJQIUASJDZQW-HAHDFKILSA-N 442.467 5.392 30 10 IKEE Cc1c(OCCCCOc2ccccc2)ccc2c1O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 1871403255 HXFNNPAWGNOAMM-ULJHMMPZSA-N 445.471 5.757 30 10 IKEE Cc1c(O[C@H](C)C(=O)Nc2ccccc2)ccc2c1O/C(=C\c1cccc(Cl)c1)C2=O 1871403845 BMRPXPASEWSWPC-LRSOKBAUSA-N 433.891 5.671 30 10 IKEE CCCC[C@@H](Oc1ccc2c(c1C)O/C(=C\c1c(Cl)cccc1Cl)C2=O)C(=O)O 1871422748 BWJRVTDPHMVFHJ-NPBUNYCVSA-N 435.303 5.940 30 10 IKEE COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OCCc3ccc(C)cc3)ccc2C1=O 1871437551 HVSMOYAKAJKAPH-WGARJPEWSA-N 446.499 5.259 30 10 IKEE CCc1ccccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1cccc(F)c1)C2=O 1871459436 YWYMJONWCRQLJJ-QRVIBDJDSA-N 431.463 5.330 30 10 IKEE C=CCN(CC=C)c1nc(=NCCC2=CCCCC2)nc(Nc2ccc(C(C)(C)C)cc2)[nH]1 1871556757 RGROTYNPYVJRSM-UHFFFAOYSA-N 446.643 5.815 30 10 IKEE CCCCCCCCN=c1nc(N2C[C@@H](C)C[C@@H](C)C2)[nH]c(=Nc2cc(C)ccc2C)[nH]1 1871671951 MXWLSBFDCFBBDC-OYRHEFFESA-N 438.664 5.331 30 10 IKEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1cc(C)ccc1C 1871798750 BUPLZCLVQGHTBX-NRFANRHFSA-N 449.016 5.249 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 1871798991 CYLOXVPDYNBGNI-OAQYLSRUSA-N 434.989 5.023 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Cl)cc1C)[C@H](C)CC)S(=O)(=O)CCCC 1872507232 KBRLFCHJLUHMKL-OXQOHEQNSA-N 429.026 5.010 30 10 IKEE Cc1ccccc1OCCCC(=O)[C@@H](C#N)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872759965 DPZXZRJLOAHJMI-JOCHJYFZSA-N 430.573 6.033 30 10 IKEE C=CCOc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2ccc(C(C)C)cc2)cs1 1872776436 PTWVESHDRZAAGJ-HXUWFJFHSA-N 432.545 5.754 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccc(C)cc3)n2)c(C)c1C 1872778624 PHFHPFIHCSEDDZ-OAQYLSRUSA-N 434.561 5.779 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC2CC2)=C(c2c(Cl)cccc2Cl)C1=O 1873093574 MAGGNWPAJOQQSU-UHFFFAOYSA-N 437.411 5.966 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2)C(=O)N(CCCCCCCC)C1=O 1873159082 DCPOIPDMXIVXMM-UHFFFAOYSA-N 440.672 6.857 30 10 IKEE C=CCN=c1nc2c(cnn2-c2ccccc2)c(Nc2ccc(Nc3ccccc3)cc2)[nH]1 1873469688 BQTZIAOVASMRKH-UHFFFAOYSA-N 433.519 5.323 30 10 IKEE C=CCN(CC=C)C(=O)c1cc2c(N(CCCC)CCCCCC)ncnc2n1CC=C 1873562663 NSWFRDIWFWNSPC-UHFFFAOYSA-N 437.632 5.618 30 10 IKEE Cc1c(CC(=O)Nc2ccccc2C#N)c(=O)oc2c(C)c3occ(C(C)(C)C)c3cc12 1873868452 DIIQWKBAJWHPHL-UHFFFAOYSA-N 428.488 5.506 30 10 IKEE CCSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1ccc(Cl)cc1 1874206053 HZVYHEGKXUHUST-LSHDLFTRSA-N 441.771 5.812 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1cccc(Cl)c1 1874232364 UYSNXNGQKZAULJ-JVWAILMASA-N 447.007 6.420 30 10 IKEE CCCSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1cc(Cl)ccc1O 1874253458 CHHHVESVUOZULL-BUVRLJJBSA-N 444.988 5.341 30 10 IKEE CCCc1ccc(OCc2nnc(SCC)n2/N=C/c2ccc(C(C)(C)C)cc2)cc1 1874258000 YWRSXWVTEXPBRM-YZSQISJMSA-N 436.625 6.101 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1ccc(O)c(OC)c1 1874287502 IELHHGJVJRXNTI-LFVJCYFKSA-N 428.602 5.617 30 10 IKEE CCSc1nnc(CCc2ccccc2OC)n1/N=C/c1ccc(C(F)(F)F)cc1 1874313381 RHKJOBONZYYBDN-AFUMVMLFSA-N 434.487 5.085 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccccc2O)cc1C 1874356941 HMMFSPYHFUTEKX-JFLMPSFJSA-N 446.551 5.505 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1cn(C)c2ccccc12 1874358703 VNSPDOBEFJSRQZ-VULFUBBASA-N 429.593 5.528 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccccc3Cl)n2/N=C/c2ccc[nH]2)cc1 1874367997 JXIKNAUUTKUPNR-WYMPLXKRSA-N 428.348 5.755 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(Cc2cccs2)n1/N=C/c1cccnc1 1874415016 ULQMLUFTEXMABX-WYMPLXKRSA-N 443.960 5.292 30 10 IKEE CC(C)(C)Cc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(O)cc1 1874441812 JQCZJFBJBIPBOF-WYMPLXKRSA-N 432.952 5.539 30 10 IKEE CCCOc1ccccc1/C=N/n1c(CC(C)C)nnc1SCc1ccccc1F 1874490008 VHHXETRGNMMMAK-MFKUBSTISA-N 426.561 5.579 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874491356 MXKPPMIFWCCQCH-WSDLNYQXSA-N 429.933 5.213 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2C2CCC2)cc1OC 1874493862 IJWHVMRRJXGSAT-MFKUBSTISA-N 436.581 5.436 30 10 IKEE CCCOC(=O)COc1c(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cccc1OC 1874585126 NMKUQHYAOSTWHA-ACCUITESSA-N 440.536 5.229 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cc(Cl)ccc1OCC(=O)Nc1ccccc1 1874586110 WNZOMEACSKRKDE-PKNBQFBNSA-N 449.934 5.879 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Cl)c(OCCc3ccccc3)c(OC)c2)cc1 1874606516 SACLLNDAOWCYCI-DTQAZKPQSA-N 448.990 7.209 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OCC(=O)Nc1ccc(C)cc1C 1874608269 FSNCBNJWBBELGX-FMIVXFBMSA-N 449.934 5.879 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCCc3ccccc3)cc2)cc1OCCC 1874612662 GNLHMVOYNVKAQZ-FOWTUZBSSA-N 444.571 6.782 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc(Cl)c2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 1874613526 ZAWPAAFISLNMMP-ONNFQVAWSA-N 428.271 6.377 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc([N+](=O)[O-])c1OCc1ccccc1C 1874618076 IZTGKZFXAVVUPM-OUKQBFOZSA-N 445.515 6.394 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccc(C)cc1 1874633263 UMLDUGVZKNCLSI-NTEUORMPSA-N 443.543 5.924 30 10 IKEE COc1cccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)c2)c1 1874693341 AEKXYNSZNUXKBZ-NTCAYCPXSA-N 442.511 5.455 30 10 IKEE CCc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc(OC)c(F)c3)ccc2OC)cc1 1874706845 BTTVEJIJXGIQTR-KPKJPENVSA-N 434.463 5.521 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(-n4cccc4)cc3)c2)cc1F 1874706966 ILSAPOUSMQGGEQ-NTUHNPAUSA-N 441.458 5.740 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)CC(C)(C)C)c2)c(OCC)c1 1874715027 ZCDVYYUXDUJYRM-UKTHLTGXSA-N 440.536 5.730 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccc(N(C)C)cc2)c1 1874715907 RVLKWGHGOPQHJK-GZTJUZNOSA-N 441.571 6.474 30 10 IKEE CCCCCCCCC(=O)N1[C@H](C)CSc2nnc(CCc3ccc(C)c(C)c3)n21 1875024554 MSUYLDCHLKVFFT-HXUWFJFHSA-N 428.646 5.390 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1cncc(C)c1 1875105574 BMHCPMUTNWXJBB-XVNBXDOJSA-N 442.298 5.821 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(OC)c(OC(=O)[C@H](C)c2ccccc2)c(OC)c1 1875118603 FPIYKGVMGMGZHS-LGHUBQEGSA-N 446.499 5.318 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC(=O)c1ccccc1Cl 1875122345 JSFFHNNHDNIULW-UXBLZVDNSA-N 428.818 5.742 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC(=O)CSc1ccccc1 1875127616 OVLKHTWXBXZKTQ-NTUHNPAUSA-N 438.932 5.942 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3[nH]c4ccc(C)cc4c3C)cc2)cc1 1875129603 KROGKYTXGZUUAG-LZYBPNLTSA-N 439.511 6.299 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)cc3)c(OC)c2)cc1 1875131343 SFRPQFRMRQZKKE-MKMNVTDBSA-N 434.463 5.277 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2Cl)c1 1875149769 HFSHSFRTZHSQRV-VMPITWQZSA-N 448.902 5.730 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)c(F)c2)c(Cl)c1)c1ccc2c(c1)OCO2 1875149874 LUWNXXMGDMKAIL-LZCJLJQNSA-N 442.801 5.462 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C(C)C)c(OC)cc3C)cc2)c1 1875163385 IPOOROCDCWYWSZ-SDNWHVSQSA-N 444.527 6.251 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)CC2CCCCC2)cc1 1875167608 FNMLUHVYCJFNLN-FMIVXFBMSA-N 447.358 6.774 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)CCCSC)cc1 1875168278 VDNUNHDGLMYYNA-JXMROGBWSA-N 439.360 5.947 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)[C@@H](C)c1ccccc1 1875175978 QDVOOAJQQKEUQY-BPOBUFBUSA-N 448.946 6.571 30 10 IKEE Cc1cncc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C(C)(C)C)ccc3C)cc2Cl)c1 1875184504 YYQVSKNDIXRRNW-JXMROGBWSA-N 447.962 6.765 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3F)c(OC)c2)cc1C 1875189643 AESGVWPPGPAGCD-PKNBQFBNSA-N 448.490 5.504 30 10 IKEE C=C(Cl)COC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)CC 1882298221 ONRRUVYYPPAOSG-QRQCRPRQSA-N 427.928 5.236 30 10 IKEE CCN(CC)c1cccc(OCC#CCNC(=O)N(c2ccccc2)c2ccccc2)c1 1891833420 GNJOHTOGWVDXDI-UHFFFAOYSA-N 427.548 5.463 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 1922065859 PKDFFBCQKMDORK-WXFUMESZSA-N 430.633 5.459 30 10 IKEE C[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1938773806 WZVHXCGLMXUDDC-NYHFZMIOSA-N 435.952 5.373 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@](NC(=O)OC(C)(C)C)(C(C)C)C(F)(F)F 1950530356 LIQXIWWBVRCEMR-UGKGYDQZSA-N 444.538 5.219 30 10 IKEE CC(C)(C(=O)O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1C#N 1951906132 PPUUWMCRPBEBHI-XMMPIXPASA-N 440.499 5.249 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@]1(C#N)CCCN(Cc2ccccc2)CC1 1976794118 CHYLGHONZCNOLA-DEOSSOPVSA-N 425.598 5.434 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C)([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)C1 2022136285 GCPGAWRJBAVYLC-WZONZLPQSA-N 433.524 5.106 30 10 IKEE CC(C)(C)OC(=O)NC1(C(=O)CC#CC2CCCCC2)CCN(Cc2ccccc2)CC1 2032500173 DYXXRSKFNRWTPX-UHFFFAOYSA-N 438.612 5.089 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2046019297 NGVKMMMPOLTLRU-LWTKMMONSA-N 447.620 5.532 30 10 IKEE C=CCN(CC[C@@H](O)Cc1cc(Cl)c(C)c(Br)c1)C(=O)OC(C)(C)C 2048504145 SXOPBXOAFIHCCQ-OAHLLOKOSA-N 432.786 5.128 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(Cl)ccc(Br)c1F 2058342650 TZLUECJZSYPHLJ-CJNGLKHVSA-N 435.765 5.362 30 10 IKEE C=C1C(=CC=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@@H](C)C(C)(C)O)C[C@H](O)C[C@H]1O 2069527136 ZGLHBRQAEXKACO-IACCHJCGSA-N 428.657 5.727 30 10 IKEE CCc1nn([C@@H](c2ccc(C(F)(F)F)c(F)c2)C(C)(C)C)c(Br)c1C#N 2079950838 KNZVEKRGCMEWGH-HNNXBMFYSA-N 432.259 5.873 30 10 IKEE CCCOc1ccc([C@@H](n2nc(C(F)F)c(C=NO)c2Br)C(C)(C)C)cc1 2080089333 VPRRSZSMHZARFR-MRXNPFEDSA-N 444.320 5.816 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H](c2cc(Cl)n3nc(C4CCCCC4)c(C#N)c3n2)C1 2081186808 UPLGKDPWNUYQFQ-MRXNPFEDSA-N 443.979 5.417 30 10 IKEE Cc1ccc(-c2cc(Cl)n3nc(C4CCCCC4)c(C#N)c3n2)cc1Br 2081389707 HUNHOVYUNONWRL-UHFFFAOYSA-N 429.749 6.040 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@H](C#N)c1ccc(Br)c(Cl)c1F 2098120068 HKLSJDSQIMSOSB-OAHLLOKOSA-N 445.760 6.376 30 10 IKEE C[C@H](NC(=O)OC(C)(C)C)c1cccc(Nc2cc(Br)cc(F)c2C#N)c1 2163690588 VXYYUGKFSIUNCE-LBPRGKRZSA-N 434.309 5.789 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1cnc(C(C)(C)C)[nH]1 2169532319 RUWGYCSBHAJABG-INIZCTEOSA-N 433.350 5.476 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CC[C@@H]2Nc2cc(Br)cc(F)c2C#N)CC1 2189329417 UBNLIWAHSPJQQV-KRWDZBQOSA-N 438.341 5.051 30 10 IKEE N#Cc1ccc(Br)cc1Nc1cc(Br)c(Br)cc1N 2225693046 FCSDHFLVTLSHNU-UHFFFAOYSA-N 445.940 5.172 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Br)cc([C@@H](N)C#Cc2cccc(Cl)c2)c1 2230998520 FBFYIOHGMFMREB-SFHVURJKSA-N 435.749 5.501 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)cc1OC 2239664732 LNSKZACOOYUJGR-IEBWSBKVSA-N 441.410 5.358 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)c1cc(Br)cc(C(C)(C)C)c1 2272997239 SINWFJHRCBKJAF-MSOLQXFVSA-N 425.411 5.606 30 10 IKEE C=CCN(CC[C@@H](NCCC)c1cc(OC)c(Br)s1)C(=O)OC(C)(C)C 2278365158 CRBGCGRWYPGCRP-CQSZACIVSA-N 447.439 5.373 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(Br)cc2C#N)C[C@H]1C(F)(F)F 2279311410 SEYHIAQFWGPLDQ-HIFRSBDPSA-N 448.283 5.063 30 10 IKEE C[C@H]1Oc2ccccc2C=C1C=C1Oc2cc(OC(=O)C=Cc3ccccc3)ccc2C1=O 2296868531 REVLGCJWUCABLD-GOSISDBHSA-N 436.463 5.629 30 10 IKEE CN(C)c1ccc(C=C2SC(=NCc3ccccc3)N(Cc3ccccc3)C2=O)cc1 2297318960 SCZDWWWCUJAVTH-UHFFFAOYSA-N 427.573 5.425 30 10 IKEE N#Cc1ccccc1NC(=S)NC(=O)C=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 2313718819 PLWAKTNJBLEVKN-UHFFFAOYSA-N 442.327 5.651 30 10 IKEE CCN1C(=O)C(=Cc2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)SC1=Nc1ccccn1 2314542535 WTZVEFQYFOOPPW-UHFFFAOYSA-N 434.477 5.182 30 10 IKEE CCCCCOc1ccc(C=Nn2c(S)nnc2CCCOc2cccc(C)c2)cc1 2322172167 MNUKZFQQOSTBDL-UHFFFAOYSA-N 438.597 5.338 30 10 IKEE O=C(C=Cc1ccccc1OCc1c(F)cccc1Cl)c1ccc(-c2ccccc2)cc1 2322286951 PBAQCUJYGYRWKM-UHFFFAOYSA-N 442.917 7.621 30 10 IKEE CCOc1ccccc1C=C1Oc2c(cc3c(c2C)OCN([C@H]2CCCC[C@H]2C)C3)C1=O 2322391867 YTTICJALBRWRHW-VGSWGCGISA-N 433.548 5.741 30 10 IKEE COc1ccccc1C(=O)Oc1cc(C)c2c(c1)OC(=Cc1cn(C)c3ccccc13)C2=O 2322698758 MCJGGRRWPXIAKN-UHFFFAOYSA-N 439.467 5.331 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccccc1OCC(=O)Nc1cccc(C)c1 2322926758 ATYMZYSUMCRERE-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCc2ccc([N+](=O)[O-])cc2)c2ccccc12 2323009135 WMSSOZYRMXOMEL-UHFFFAOYSA-N 439.467 6.232 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3c(C)cccc3C)c2)cc1C 2323078852 ISESODJMNDFRQL-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE CCCOc1c(OC)ccc(C=CC(=O)c2cccc3ccccc23)c1Br 2323203108 SUMHTWFPZJDUFN-UHFFFAOYSA-N 425.322 6.296 30 10 IKEE CCCOc1c(OC)ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)c1Br 2323303135 MVTLLRNCYCTBEP-UHFFFAOYSA-N 445.397 6.749 30 10 IKEE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1 2323422891 GLBIFULQTKCSSS-UHFFFAOYSA-N 432.859 5.584 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OCc1ccccc1C 2323434582 MTZCYTITKWUBRZ-UHFFFAOYSA-N 426.556 6.748 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(OC)c2)ccc1OCc1ccccc1C 2323460348 YCZYQWUURBAUSA-UHFFFAOYSA-N 432.516 5.886 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)Oc1ccc2c(c1)OC(=Cc1cccs1)C2=O 2323665883 BIFLIMIBEBKELI-UHFFFAOYSA-N 447.295 5.899 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)ccc1OCC(=O)Nc1cccc(C)c1 2323713789 BCFIVNDFUZLIDF-UHFFFAOYSA-N 445.515 5.316 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2F)C3=O)cc1 2323887502 HPXGLUIVOCJKDU-UHFFFAOYSA-N 446.430 5.285 30 10 IKEE CC(C)N(Cc1ccccc1)Cc1c(O)ccc2c1OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2324014406 NFRNJZPUPZXPOV-UHFFFAOYSA-N 444.487 5.327 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(O)c3CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)C2=O)c1 2324097476 BSUMNRQBGFXUMN-CLYVBNDRSA-N 433.548 5.418 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OCC(=O)NC1CCCCC1 2324175834 AAJOBFFTDQORNW-UHFFFAOYSA-N 445.918 5.212 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OCC(=O)OCC(C)C 2324378586 LEJJBCHPAADIRD-UHFFFAOYSA-N 440.536 5.185 30 10 IKEE N#Cc1ccccc1COc1ccc2c(c1)OC(=Cc1cccc(Br)c1)C2=O 2325351654 VGUUQMXJHLMOAV-UHFFFAOYSA-N 432.273 5.516 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccccc2F)c1 2325441879 UDSUXJBUJIKKRP-UHFFFAOYSA-N 430.552 5.685 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1ccccc1Cl)C2=O)Nc1ccc(Cl)cc1 2325513165 MXRMKYVQRCKFFG-UHFFFAOYSA-N 440.282 5.627 30 10 IKEE COc1ccccc1C=CC(=O)C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 2325547179 HXEJCECXLIRSEH-UHFFFAOYSA-N 428.513 5.501 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2ccccc2OC)cc1OC(=O)CC(C)C 2325723547 IVWODBWTTOJXQO-UHFFFAOYSA-N 447.325 5.314 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 2325739225 BKZXAXLGNIQFGM-UHFFFAOYSA-N 431.444 5.499 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)c2ccncc2)c1 2325756175 XYTPCPFFEBXHJY-UHFFFAOYSA-N 428.271 5.512 30 10 IKEE C=CCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1N=Cc1ccccc1 2325821057 NXMSHCXSKVUTIZ-UHFFFAOYSA-N 436.581 5.324 30 10 IKEE COc1ccc(OCCCc2nnc(SC)n2N=Cc2ccc(C(C)(C)C)cc2)cc1 2326252126 NSKZWCDRZVPQPC-UHFFFAOYSA-N 438.597 5.200 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(OC)cc2)n1N=Cc1cccc(C)c1 2326252253 FQFBIZWPHCGHQF-UHFFFAOYSA-N 436.581 5.157 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1cc(Cl)c(O)c(OC)c1 2326412448 HPDZSMXZNBLOIC-UHFFFAOYSA-N 444.988 5.390 30 10 IKEE CCCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc(O)cc1O 2326619670 PQZPUCLTWXTEDA-UHFFFAOYSA-N 432.549 5.012 30 10 IKEE CCCOc1ccc(C=Nn2cnnc2SCc2cccc3ccccc23)cc1OC 2326629412 WEEZKUISGKKBCH-UHFFFAOYSA-N 432.549 5.403 30 10 IKEE CCCc1ccc(OCc2nnc(SC)n2N=Cc2ccc(N(CC)CC)cc2)cc1 2327320485 QUNDEQOCJBELRC-UHFFFAOYSA-N 437.613 5.260 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2Cl)n1N=Cc1cccc(OCC)c1 2327649200 LIIRYCHVTXYQAC-UHFFFAOYSA-N 442.972 5.460 30 10 IKEE C(=Nn1c(Cc2cccc3ccccc23)nnc1SCc1ccccc1)c1cccs1 2327751575 IHGBMTGKFXSEKU-UHFFFAOYSA-N 440.597 6.258 30 10 IKEE Cc1ccccc1CSc1nnc(COc2c(C)cccc2C)n1N=Cc1ccncc1 2328549593 SSABKJGNOZHNPH-UHFFFAOYSA-N 443.576 5.352 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3cccc(C)c3)n2N=Cc2ccco2)cc1 2328564496 CMMUXQZTMWNGDA-UHFFFAOYSA-N 432.549 5.344 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2sccc2C)cc1C 2328791220 LYYGPVNGXWZSEX-UHFFFAOYSA-N 448.617 6.018 30 10 IKEE CCOc1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2)cc1 2329837411 CEEKNPYMNKSHLJ-UHFFFAOYSA-N 446.551 5.581 30 10 IKEE C=CCN(CC=C)C(=O)Oc1cccc2c(NC(=O)C=Cc3cccc(F)c3)cccc12 2330066439 VMGIKCDKOQORTD-UHFFFAOYSA-N 430.479 5.804 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3C)c(OC)c2)cc1 2330849571 PAOJDGPAPJHOPX-UHFFFAOYSA-N 428.528 6.462 30 10 IKEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC(=O)C1CCCC1 2331017824 HAZMQQSQCWDFDL-UHFFFAOYSA-N 429.856 5.249 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC(=O)C1CCC1 2331033011 RCAFGEUVOKPYGR-UHFFFAOYSA-N 429.856 5.249 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCc3ccccc3)nnc2C(F)(F)F)cc1 2331136057 CJPLKYPSDINLCI-UHFFFAOYSA-N 434.487 5.650 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(N(C)C)cc3)c([N+](=O)[O-])c2)cc1 2331273752 ZMFFRCKGPKZXDP-UHFFFAOYSA-N 430.460 5.085 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)C(C)(C)C)c(OC)c2)cc1 2331300467 IGYZMHVABBZCHS-UHFFFAOYSA-N 426.509 5.340 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)CCCCCC 2331329794 IMRQQFOWHOAYST-UHFFFAOYSA-N 434.576 6.812 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(C)c3)cc2[N+](=O)[O-])c1 2331339928 KAARRQGXFZXJDC-UHFFFAOYSA-N 433.435 5.774 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccco3)c(Br)c2)cc1F 2331456471 QQZHSQXBXPOMPA-UHFFFAOYSA-N 445.240 5.305 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@H]2CCCO2)c(Cl)c1)c1ccc(Oc2ccccc2)cc1 2331594950 VGZAXLDEMNIWFO-RUZDIDTESA-N 448.902 6.113 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)cc3)c(Cl)c2)c(C)c1C 2331613143 ZPXCLHGSXCFIBK-UHFFFAOYSA-N 448.946 6.318 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccccc1OC(C)C 2331666456 VURGQCFJFFNSBR-UHFFFAOYSA-N 446.979 5.985 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)Cc3cccs3)cc2)c1 2331673685 SAFAJARBURKKCI-UHFFFAOYSA-N 436.529 5.590 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc4c(c3)OCO4)c(Cl)c2)cc1C 2331706269 VDMGLTNALMWNRI-UHFFFAOYSA-N 434.875 5.801 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3c(C)cc(C)cc3C)cc2)cc1 2331764434 RBUXTVKBEPFDKF-UHFFFAOYSA-N 426.556 6.609 30 10 IKEE CCC(=O)Oc1c(Br)cc(C=CC(=O)c2cc(C)c(OC)cc2C)cc1OC 2331852012 UYYZOOYOAZYOMU-UHFFFAOYSA-N 447.325 5.295 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1Cl)c1cnccn1 2331860170 RWRVMDBMGLPCIT-UHFFFAOYSA-N 433.678 5.552 30 10 IKEE CC1CCC(CSc2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)CC1 2335349937 GEFAAKCTBKGWJZ-UHFFFAOYSA-N 426.229 5.062 30 10 IKEE CC1(C)OB(c2ccnc(Nc3ccc(Cl)c(Br)c3Cl)c2)OC1(C)C 2337003305 DXGZPDMKSMGXFO-UHFFFAOYSA-N 443.965 5.194 30 10 IKEE CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339603270 XGNAXZPRCDTWEN-XIQMRYHBSA-N 445.413 5.078 30 10 IKEE CC(C)[C@](C)(CNC(=O)OC(C)(C)C)Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339603271 XGNAXZPRCDTWEN-XXFRDUSWSA-N 445.413 5.078 30 10 IKEE CC(C)(C)OC(=O)N[C@]1(C)C[C@H]2CC[C@H]1C[C@H]2Nc1cc(Br)ccc1C#N 2380857575 XAHJMSKONZNARF-ZKXXJIQUSA-N 434.378 5.205 30 10 IKEE CCc1ccc(-c2[nH]nc3c2[C@H](c2ccc(OC)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 6733085 NXIUQVDDGSOMDX-JOCHJYFZSA-N 427.548 5.848 30 10 IKEE COc1ccc(-c2nnc(SCc3cccc(C#N)c3)n2CCc2ccccc2)cc1 12745826 PMIIUPZJXLSNPF-UHFFFAOYSA-N 426.545 5.360 30 10 IKEE CCc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(F)c(Br)c2)cc1 20882129 JEMRPNBVPLZGNG-SJORKVTESA-N 442.328 5.155 30 10 IKEE Cc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3ccc(Br)cc3)cc1)N2 35167010 AARNPXITCXVHCB-NACLWLQGSA-N 443.388 7.335 30 10 IKEE C=CCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccc(C)cn2)c1 35514850 YRTDKLDYUUORRF-XMMPIXPASA-N 438.483 5.119 30 10 IKEE COc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(C(C)C)cc2)C3=O)c1 41287469 WBDACPMTVUEKQR-OYKKKHCWSA-N 428.484 5.962 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccccc1OC(F)F)C2=O)c1ccccc1F 41292563 QKHFJIAADMUWSZ-JAIQZWGSSA-N 426.346 5.263 30 10 IKEE COc1ccc(CCN2COc3ccc4c(c3C2)O/C(=C\c2ccc(C)cc2)C4=O)cc1 41652264 FOWVNHTXIFBKRA-MYYYXRDXSA-N 427.500 5.014 30 10 IKEE COc1cccc(C(=O)Nc2cc(Cl)c([C@H](C#N)c3ccc(Cl)cc3)cc2C)c1 59239970 TWZANPKRDWLKPZ-HXUWFJFHSA-N 425.315 6.218 30 10 IKEE C=CCN(C(=O)c1cc(OC)c(OC)c(OC)c1)c1nc(-c2c[nH]c3ccccc23)cs1 66409963 HOFWDMGUUBNFKN-UHFFFAOYSA-N 449.532 5.150 30 10 IKEE CCCCCCCCCCn1c(CCCCCNC(=O)C(C)(C)C)nc2ccccc21 102164602 GIDYSBCSGGEWGP-UHFFFAOYSA-N 427.677 7.052 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)/C(=C(\O)c4ccccc4)[C@H]3c3ccc(C)o3)sc2c1 102737502 VMMJRYHVAXCGIV-SADKCHQCSA-N 444.512 5.386 30 10 IKEE CCCCCCCCNC(=O)c1ccc2c(c1)ncn2-c1cc(OC)c(OC)c(OC)c1 102773131 VCPYHIBQBRVIDY-UHFFFAOYSA-N 439.556 5.142 30 10 IKEE CCCCCCCCC[C@@H](NCCC)c1cc(Br)sc1Br 115856861 OXAPVYNKVAOXED-OAHLLOKOSA-N 439.301 7.455 30 10 IKEE CCCOc1c(Cl)cc([C@H]2NC(=S)N(CCC)C3=C2C(=O)CCC3)cc1Cl 169929798 NAVIJDJHZSGEGM-GOSISDBHSA-N 427.397 5.431 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 169953752 XZKSAUMPCKUDAU-XMMPIXPASA-N 426.516 5.152 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2cccc(Cl)c2)c1 169970331 BOAVQPYGEXPNAE-LJQANCHMSA-N 438.936 5.505 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2cccc(C)c2)cc1 169970457 LQHXIESLJYBWMT-DEOSSOPVSA-N 427.500 5.349 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccs1 169982598 IKLORCLBWOPFOO-FQEVSTJZSA-N 439.920 5.189 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccnc2)cc1Cl 170008974 WSTRODWNEFHPBD-HXUWFJFHSA-N 439.298 5.480 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc(O)c2)cc1C 170080701 PVYHDOQSBJUXBD-JOCHJYFZSA-N 433.891 5.445 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(O)cc1)c1ccc(Cl)c(Cl)c1 170135636 JZTMKXDWIMKINS-HXUWFJFHSA-N 446.330 5.610 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2ccccc2C)c1 170142919 RDRRZVSARFXEEU-AREMUKBSSA-N 433.507 6.240 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@H]2c2ccccc2)c1 170224241 FGKNXAJTAXCCLJ-DEOSSOPVSA-N 427.500 5.431 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2)ccc1Br 170226080 WBYPZKKPOZLGOJ-NRFANRHFSA-N 448.316 5.540 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccc2)ccc1OC(C)C 170228895 BHLAGKOOTKUAQK-VWLOTQADSA-N 441.527 5.874 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)c(Cl)c2)[C@@H]1c1ccccc1 170232379 KNYNASFGIBPQJW-SFHVURJKSA-N 434.319 5.380 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(F)cc1)c1cccc(Cl)c1 170237347 CZWMGKIZLCZRGH-IBGZPJMESA-N 427.884 5.319 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccccc1F)c1cccc2ccccc12 170247876 WWGMTFUUTNHUFW-DEOSSOPVSA-N 441.433 5.901 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@@H]1c1c[nH]c2ccccc12 170255488 IYXBJJOBJOGPQG-QHCPKHFHSA-N 432.520 5.172 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1cccc(O)c1)c1ccc2ccccc2c1 170258946 FZEVUGRBHUVPOP-XMMPIXPASA-N 437.451 5.034 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccco2)cc1 170284731 YXGAKLBJBXOMQT-HSZRJFAPSA-N 425.440 5.224 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccc(C)o2)cc1 170303770 MUZBDYPZPZEDQT-XMMPIXPASA-N 427.500 5.558 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2Cc2cc(C)ccc2C)cc1 170455095 AKIFUJUYHPJIAM-DEOSSOPVSA-N 448.607 5.660 30 10 IKEE COc1ccc(N=C2S/C(=C/c3ccc(Br)o3)C(=O)N2CC(C)C)cc1 252608826 HNSQPHVTLBICIO-NIHZCWFLSA-N 435.343 5.311 30 10 IKEE COc1cccc(C=Nc2cc(N=Cc3cccc(OC)c3O)cc(C(F)(F)F)c2)c1O 254287493 HUJYZMXLPFPJOW-UHFFFAOYSA-N 444.409 5.635 30 10 IKEE Cc1ccc(S(=O)(=O)NN=Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1 263627345 DGSFTVYWFLOFEW-UHFFFAOYSA-N 448.519 5.179 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)ccc1Br)NC 407860758 GUQMUGJXJTYCSN-DLBZAZTESA-N 431.802 5.093 30 10 IKEE C[C@@]12CC[C@@]3(C)[C@@](C)(CC[C@@]4(C)C(=O)/C(=C/c5ccncc5)C[C@]34C)[C@@]1(C)CC[C@H](O)C2 504718619 GYTNBVPAHRXQRC-WQCCZHCPSA-N 435.652 6.608 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(O)c(Cl)c2)c1 526487862 ARYHYEFUYYKKFP-QHCPKHFHSA-N 446.890 5.373 30 10 IKEE COc1ccc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c(OC)c1 526488236 MDYVUJPBTAGTES-HSZRJFAPSA-N 446.890 5.286 30 10 IKEE CC(C)(C)c1ccc(S(=O)(=O)N(C(=O)c2cccc(C#N)c2)c2ccccc2F)cc1 586293315 XCGVXYHZYAMLNJ-UHFFFAOYSA-N 436.508 5.031 30 10 IKEE 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)c1cccc(F)c1 698832063 PKEBPCCBJPYDHS-KILLWLNWSA-N 445.535 5.105 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@]1(C#N)CCc2ccc(Br)cc21 698852285 DBFQSBSSTRJHFT-JOCHJYFZSA-N 433.390 6.074 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@](C)(C#N)c1ccc(Br)cc1F 710807443 CKYVEBWZIYGACK-OAQYLSRUSA-N 439.369 6.287 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(C)ccc(Br)c1F 721193493 PDKRCACNYDNCPI-LPHOPBHVSA-N 443.401 5.797 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCO[C@H](C(C)(C)C)C1 721578390 VSPWGAAXIYHEEI-LAUBAEHRSA-N 437.378 5.678 30 10 IKEE N#C[C@H](c1ccc(Br)cc1F)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 1614720173 KPHQIZYDKYEQNU-LPHOPBHVSA-N 431.305 5.244 30 10 IKEE Cc1c(C)c(C)c(C[P+](C2CCCCC2)(C2CCCCC2)C2CCCCC2)c(C)c1C 1615946709 BBJHZGRPEAIVPW-UHFFFAOYSA-N 441.704 9.744 30 10 IKEE CN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=Nc1nccs1 1772738539 UYYOEMLETZKOJY-YIFJCWOOSA-N 441.965 5.609 30 10 IKEE CC(=C\c1ccccc1)/C=C1/SC(=NN=Cc2ccc(F)cc2)N(Cc2ccco2)C1=O 1772758394 UJKPMUGWBHKUAV-CXRPZPFUSA-N 445.519 5.872 30 10 IKEE CCCCCCCCCCn1cc(OCCCOc2ccccc2)c(=O)cc1C(=O)O 1857891392 UNJUCQYRPJDSMN-UHFFFAOYSA-N 429.557 5.535 30 10 IKEE CCCCCCCCNC(=O)[C@](C)(CC)NC(=O)c1ccc2nc(C(C)(C)C)[nH]c2c1 1861449504 MJJROOHDICPTQP-VWLOTQADSA-N 428.621 5.236 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1cccc(Cl)c1)c1ccccc1Cl 1862433347 ZSWWQOPOFQEPLD-HXUWFJFHSA-N 439.298 5.167 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862444660 DCTKPARQNRKZEW-OSPHWJPCSA-N 445.946 6.242 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862449002 ABFCYBDUTCTPHC-BTYIYWSLSA-N 425.956 6.014 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CC)cc1OCC 1862453817 IRGVXCKQWWMYKN-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cccc(Br)c1 1862496725 QYJVJCCGLWBGOB-HXUWFJFHSA-N 442.353 5.444 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2c(F)cccc2Cl)ccc1F 1862505479 PASJHPBIXMFDED-HXUWFJFHSA-N 433.882 5.551 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccccc2Cl)cc1 1862516204 JHFQJOSKNITQMV-NRFANRHFSA-N 427.928 5.363 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1cc(Br)ccc1F 1862541880 VLTNYMIUXKVSSG-IBGZPJMESA-N 446.316 5.139 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862583147 UNXVAYZZMVKURI-SFHVURJKSA-N 449.290 5.280 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2ccc(F)cc2)cc1 1862590501 KBBTUASOQHCVDP-GYCJOSAFSA-N 445.490 5.433 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(OC)cc1 1862591738 MTUIFSQEXMUAJT-HSZRJFAPSA-N 437.536 5.340 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(O)cc1 1862650541 YDLKUQJKSOIUMX-WSNNEZGNSA-N 441.527 5.702 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(F)cc1F 1862651655 WZSBCWIYWAKUMA-HSZRJFAPSA-N 435.470 5.742 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC2=CCCCC2)c1 1862676590 MQMFQBLGYWNYQD-DEOSSOPVSA-N 449.522 5.693 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@@H]2c2cccc(C)c2)cc1 1862687700 OPPCAQIUUMRFFK-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CC(C)C)c1 1862715544 WWBSQEAGDNRGTR-DEOSSOPVSA-N 429.516 5.473 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(Cl)cc1 1862726065 XXHPAKKPIYTAJA-QHCPKHFHSA-N 431.919 5.994 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2CC)c1 1862727043 VNTMWJQVRGSAFK-XMMPIXPASA-N 427.500 5.351 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1c(F)cccc1Cl 1862727757 LCZRDPQEDCQJOU-QFIPXVFZSA-N 435.882 5.744 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 1862740448 DFDRMTRIKZPWNO-NRFANRHFSA-N 448.862 5.027 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCOC)=C(c2ccc(Cl)cc2)C1=O 1863533841 VICHCYVSHSJFTA-UHFFFAOYSA-N 435.008 5.187 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCCC)=C(c2cc(C)ccc2C)C1=O 1863739868 BHJLMLJVCMJNFQ-UHFFFAOYSA-N 426.645 6.304 30 10 IKEE Cc1ccc(C(C)(C)CCC(=O)N[C@H](C(=O)Nc2ccccc2C#N)c2ccccc2)cc1 1866792380 QDMRQBCTPMKDLA-SANMLTNESA-N 439.559 5.421 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC(c3nc4c(s3)CCCC4)CC2)nc(C(C)C)n1 1869089420 FNNJWWBMOFQVEC-UHFFFAOYSA-N 437.657 5.498 30 10 IKEE CCCCCCCCn1cc(OCCCCC)c(=O)cc1CN(CCCC)CCCC 1870677673 OSKZDSDWIJONIM-UHFFFAOYSA-N 434.709 7.180 30 10 IKEE CCCCCCCCn1cc(OCCCC)c(=O)cc1CNc1ccc(OC)c(OC)c1 1871110921 KDNQFSQIVVUKOJ-UHFFFAOYSA-N 444.616 6.017 30 10 IKEE C=CCn1cc(OCCCCCC)c(=O)cc1CNc1ccc(OCCCCCC)cc1 1871124461 VUZDUZMMUAFCKN-UHFFFAOYSA-N 440.628 6.565 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(C)cc2)c(=O)cc1CNc1ccc(C)cc1 1871206332 KVLFGLUWXDLXSX-UHFFFAOYSA-N 446.635 7.017 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccco1)O3)CN(Cc1cccc(C(F)(F)F)c1)CO2 1871345059 PVGNNGGFNGAIAT-JMIUGGIZSA-N 441.405 5.575 30 10 IKEE COc1cccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2cccc(Cl)c2)C4)c1 1871347934 FSQHGUZYGBVYOE-FMCGGJTJSA-N 447.918 5.625 30 10 IKEE CN(C)c1ccc(/C=C2\Oc3c(ccc4c3CN(C3CCCCCCC3)CO4)C2=O)cc1 1871348365 BEHSMBKDZIZITE-XYGWBWBKSA-N 432.564 5.634 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1 1871408309 RGFMHMCAQYQVAX-QCYAWUEASA-N 427.500 5.634 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O)Nc1ccc(Cl)cc1 1871441034 UQWNRHHBZFSZML-NHDPSOOVSA-N 440.282 5.627 30 10 IKEE Cc1c(OCC(=O)Nc2cccc3ccccc23)ccc2c1O/C(=C\c1ccccc1)C2=O 1871452527 JZIGCZSXNUMHHP-XYGWBWBKSA-N 435.479 5.782 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)CCC 1871788781 RFLRXMZFPFTRST-SFHVURJKSA-N 435.417 5.109 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(C(C)C)cc1)[C@H](C)CC)S(=O)(=O)c1cccs1 1871851161 LSHYUWDADJXWFV-GCJKJVERSA-N 448.654 5.492 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(C)c(C)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1871912488 WKFPVDWBMIWHAI-BXKMTCNYSA-N 442.625 5.150 30 10 IKEE N#C[C@@H](C(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc3ccccc3c2)cs1 1872760096 HDWRHXFGQWTVFG-SFHVURJKSA-N 433.876 6.015 30 10 IKEE CC(C)(C)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 1872763978 YPLGUBWRKHOCAG-GOSISDBHSA-N 439.378 6.360 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(Br)cc3)n2)cc1C 1872764921 BEFOODCLKIQQRB-KRWDZBQOSA-N 441.350 5.309 30 10 IKEE N#C[C@H](C(=O)CCCOc1ccc(Cl)cc1)c1nc(-c2ccc(F)c(F)c2)cs1 1872779994 XCRDZOXBOIGLBV-MRXNPFEDSA-N 432.879 5.777 30 10 IKEE COc1cc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)cc3)n2)c(OC)cc1Cl 1872783038 QCGHHLJNUZDMGJ-AWEZNQCLSA-N 433.316 5.624 30 10 IKEE CCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1 1872785627 RMAKWQAYEWQYRZ-OAHLLOKOSA-N 447.343 6.014 30 10 IKEE Cc1cc(C)c(-c2csc([C@@H](C#N)C(=O)c3cccc(Br)c3)n2)c(C)c1 1872785807 ACFMTTOIGKTJLL-KRWDZBQOSA-N 425.351 5.988 30 10 IKEE CCCCCCCCNC(=O)c1ccc(CSc2nc3ccccc3n2CCC)cc1 1872895004 XEMMEZXXCCLZTA-UHFFFAOYSA-N 437.653 6.829 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2cccc(OC)c2)C1=O 1873218585 VAFYGCDVASLFAQ-UHFFFAOYSA-N 431.536 5.119 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(Nc2ccccc2C#N)=C(c2c(C)cc(C)cc2C)C1=O 1873327740 AQOIKPQRQYTQOD-QFIPXVFZSA-N 443.591 6.034 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(N3CCCC3)cc2)=C(c2ccccc2)C1=O 1873415464 RBQKKPFDAQSGOM-UHFFFAOYSA-N 445.607 5.839 30 10 IKEE C=CCn1c(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc2c(N(CCCC)CCCC)ncnc21 1873561929 GDVPBUDBAWHYAZ-WOJBJXKFSA-N 425.621 5.142 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(Cl)c2)cc2c(NCCCCCCCC)ncnc21 1873620984 FEQDAJDSCUFDMH-UHFFFAOYSA-N 439.991 6.295 30 10 IKEE CCCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1ccccc1C 1874203066 JELBCZGDRXYUQX-WGOQTCKBSA-N 436.625 6.156 30 10 IKEE C=C(C)CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1cccc(C)c1 1874217240 CEIQGYYYMYBNGE-BRJLIKDPSA-N 441.000 5.986 30 10 IKEE Cc1ccccc1/C=N/n1c(Cc2ccccc2F)nnc1SCc1ccc(F)cc1 1874373756 PXEQQFMKQBZLPK-JFLMPSFJSA-N 434.515 5.630 30 10 IKEE Fc1ccc(Cc2nnc(SCc3ccccc3Cl)n2/N=C/c2ccc[nH]2)cc1 1874379776 LOBJVLYYCIXHNK-DHRITJCHSA-N 425.920 5.164 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874389644 XHRRLRSNUYQCOG-WYMPLXKRSA-N 431.392 6.035 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3ccccc3F)nnc2[C@@H](C)c2ccccc2)cc1 1874395417 LYQYZNZDSBHDQE-FQNOVECQSA-N 430.552 6.052 30 10 IKEE Oc1ccccc1/C=N/n1c(Cc2cccs2)nnc1SCc1ccccc1Cl 1874412824 XXJLDXGMYZNSOV-YDZHTSKRSA-N 440.981 5.464 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2ccc(C(C)C)cc2)c1 1874415836 KIBQOELAFQWWAW-MTDXEUNCSA-N 440.616 6.475 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccccc3)n2/N=C/c2c(F)cccc2Cl)c1 1874426490 KYDUIWJQIMAPED-VULFUBBASA-N 436.943 6.221 30 10 IKEE CCCSc1nnc(CC(C)(C)C)n1/N=C/c1ccc(OCc2ccc(C)cc2)cc1 1874439960 BYSWEQNKDGBLNN-YZSQISJMSA-N 436.625 6.138 30 10 IKEE COC(=O)c1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C2CCCC2)cc1 1874452982 XYKMOQOUFWFQFE-AFUMVMLFSA-N 438.528 5.036 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(CC(C)C)nnc2SCc2ccccc2F)cc1 1874490596 ZBGDDFHMVXOSOV-WGOQTCKBSA-N 439.604 5.636 30 10 IKEE COc1cc(/C=N/n2c(CC(C)C)nnc2SCc2cccc3ccccc23)ccc1O 1874490683 DUPQXELNZGHDGR-CVKSISIWSA-N 446.576 5.519 30 10 IKEE CC(C)Cc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccccc1OC(C)C 1874491312 KUTNXMQCPJAFSY-AFUMVMLFSA-N 443.016 6.092 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccccc1OC(C)C 1874508338 XZLVXOYFGDRRTN-ZVHZXABRSA-N 428.989 5.846 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C2CC2)cc1 1874520948 SRXYPOBNPZSTMC-BRJLIKDPSA-N 445.419 6.760 30 10 IKEE C=CCSc1nnc(CC)n1/N=C/c1ccc(OCCCc2ccccc2)c(OC)c1 1874525923 MDGPPHPPYFFGDB-XIEYBQDHSA-N 436.581 5.021 30 10 IKEE CCCOc1c(/C=N/n2c(CC)nnc2SCc2cc(C)ccc2C)cccc1OC 1874526438 NXYGNKYCXRRNDZ-MFKUBSTISA-N 438.597 5.429 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCC(=O)OCC(C)C)ccc3ccccc23)cc1C 1874574149 XNTZUUQLHWBURT-VAWYXSNFSA-N 432.516 5.631 30 10 IKEE Cc1ccc(C)c(COc2ccc3ccccc3c2/C=C/C(=O)c2ccc(F)cc2F)c1 1874576782 GCQDLDHTXFUZER-OUKQBFOZSA-N 428.478 7.210 30 10 IKEE O=C(COc1ccc2ccccc2c1/C=C/C(=O)c1cccc(Cl)c1)NCc1ccco1 1874577653 ZLIFLYFJUDUXFC-VAWYXSNFSA-N 445.902 5.678 30 10 IKEE CCc1ccc(NC(=O)COc2cccc(/C=C/C(=O)c3ccc(OC)c(C)c3)c2)cc1 1874593283 BQVZBOZGAXUECR-GXDHUFHOSA-N 429.516 5.480 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1cccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c1 1874594068 QFDXUDQLOXBDSW-DTQAZKPQSA-N 439.555 6.096 30 10 IKEE CCc1ccc(NC(=O)COc2cc(/C=C/C(=O)c3ccc(OC)cc3)ccc2OC)cc1 1874595022 PRRKSRVNUIVCQE-VIZOYTHASA-N 445.515 5.180 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)c(Br)c1OC 1874599633 WUTLNNQOAAFZBO-GQCTYLIASA-N 446.124 5.678 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3C)c(OC)c2)cc1 1874615149 JSKXJADVUGOMCW-OQLLNIDSSA-N 445.515 5.316 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)cc1F 1874621881 ZSGLBCYEAQWICF-SOFGYWHQSA-N 444.861 6.111 30 10 IKEE C=C(C)COc1c(Br)cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OC 1874623938 DEQMJOMUERZMGA-IZZDOVSWSA-N 429.354 6.432 30 10 IKEE Cc1ccc(C)c(COc2ccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)cc2Cl)c1 1874629039 JIHXCALTVXQJLT-PKNBQFBNSA-N 432.991 7.666 30 10 IKEE CCCOc1c(Br)cc(/C=C/C(=O)c2ccc(OC)cc2OC)cc1OC 1874632743 SCRFDMFJAJDNGC-RMKNXTFCSA-N 435.314 5.160 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(OC)c1 1874633054 JUQBTGQPCIKUCL-LFYBBSHMSA-N 443.326 6.486 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2ccc(OCCO)c(Br)c2)cc1Cl 1874637342 VOERIWBAHXFNRX-DUXPYHPUSA-N 446.124 5.032 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccc(C)c(C)c3)c2)cc1 1874694334 YDWBKPMVAXEAEG-GXDHUFHOSA-N 428.528 5.919 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc3cc(Cl)ccc3n2)c1)c1cccc(Cl)c1 1874699433 VKIYHPVWMWRCMN-KPKJPENVSA-N 448.305 6.657 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cc(C)cc(C)c3)c2)c1 1874704183 AUIFAMLCGFFHOL-RMKNXTFCSA-N 446.499 5.445 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccc(F)cc3)c2)cc1F 1874707553 KPCZBBHUHVDYFT-BJMVGYQFSA-N 438.426 5.026 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3cccs3)c(OC)c2)cc1 1875113106 WRQAPGHEBVVOLG-BJMVGYQFSA-N 428.893 5.534 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 1875113227 BWHCHDXSJMSZRZ-VZUCSPMQSA-N 442.254 6.017 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Br)c2)ccc1OC(=O)c1cccs1 1875116996 DAGAPRAHYMVCFL-VQHVLOKHSA-N 443.318 5.635 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC(=O)Cc1ccc(F)cc1F 1875121969 OLRCVEZROKVBCA-WEVVVXLNSA-N 442.845 5.671 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)c([N+](=O)[O-])c2)cc1 1875135660 BEOWQLHIPKAOBM-XBXARRHUSA-N 445.515 5.921 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1cccc(Cl)c1 1875142639 MRWOCNQLHYGPRN-YRNVUSSQSA-N 438.882 6.302 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])c(Cl)c1)c1ccc(F)cc1 1875158389 UBXXGUYZCSSTGD-VZUCSPMQSA-N 425.799 5.503 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)COc2ccc(C)cc2C)cc1 1875169328 HLSVJLDVVLHJFF-FMIVXFBMSA-N 444.527 5.809 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3OC)cc2)c(OC)c1 1875179149 VUUFNKDFHUNYSX-MHWRWJLKSA-N 446.499 5.147 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)Cc1ccc(C)c(C)c1 1875184555 FVVCJMVYVAOHIX-PKNBQFBNSA-N 442.555 6.282 30 10 IKEE CC1(C)OCC[C@@]1(C#N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875690319 SRJNDPMVCPQNGW-IXCJQBJRSA-N 443.543 5.587 30 10 IKEE O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1C(F)(F)F 1889570964 NXWAHPBQUBAMGQ-AWEZNQCLSA-N 445.281 5.206 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccccc3-c3ccccc3)ccc21 1891091262 WOPAMTKIFBUQOJ-UHFFFAOYSA-N 426.516 5.544 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCC)c2cc(F)ccc2Br)C1 1898412286 LEHCZLJTGZVPEX-KRWDZBQOSA-N 427.358 5.100 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)C1CC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1922123663 CAMCAXORPMOZQJ-QHCPKHFHSA-N 428.617 5.165 30 10 IKEE C[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)[C@H](C)CN1C(=O)OC(C)(C)C 1944380603 WTANGYJIPMZTRR-GGUMNFRJSA-N 429.561 5.356 30 10 IKEE CCN[C@H](CC#CC1CCCCC1)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1946524193 WWVYRQUEOJNURM-DNQXCXABSA-N 428.617 5.048 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CCC[C@@H]2C[C@@H]21 1949668491 QMWAXFCRISIQMR-KSZLKVKMSA-N 428.617 5.211 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[C@@]2(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1953300253 XXFVVEBFILEUGR-GBWYYYKWSA-N 441.572 5.009 30 10 IKEE C#CCC1(NC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)CC)CCC1 1984779078 OWKVSELMIWVISV-DFBJGRDBSA-N 444.575 5.002 30 10 IKEE CC1(C)OB(c2cnc(N(Cc3ccccc3)Cc3cccs3)c(Cl)c2)OC1(C)C 2004976425 MVKHXLQCKWHNAY-UHFFFAOYSA-N 440.805 5.303 30 10 IKEE COc1ccc(Oc2ccc(C=CC(=O)c3ccc(Cl)cc3Cl)cc2[N+](=O)[O-])cc1 2053510539 HSMANNWPTVRTGH-UHFFFAOYSA-N 444.270 6.599 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@@H]3CC[C@H]32)c1 2057583838 AMWMKURZOZLVGD-FHAGJXEFSA-N 441.572 5.418 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)CC23CC3)c1 2065973520 ONPAQHFXVXYGQQ-VWLOTQADSA-N 441.572 5.420 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@H](NC(=O)OC(C)(C)C)C2(C)C)cc1 2066218168 LSSBMCGRUXCKGJ-MHECFPHRSA-N 445.560 5.022 30 10 IKEE Cc1ccc([C@@H](n2nc(C(C)(C)C)c(C#N)c2I)C2(C)CC2)cc1C 2078991893 GHLTUTIHAZABFZ-GOSISDBHSA-N 447.364 5.663 30 10 IKEE CC(C)c1ccc([C@@H](C(C)C)n2nc(C(F)F)c(C#N)c2I)cc1 2080000118 PITRVZAVZMBLKW-MRXNPFEDSA-N 443.279 5.666 30 10 IKEE C=CCCCCCCCCC[C@H](NC)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2086263477 HXMAMIZWQPMMFR-LOSJGSFVSA-N 446.676 6.381 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)C1CC2(C1)CC(F)(F)C2 2158848735 ZMADUCGRFQHCQQ-INIZCTEOSA-N 441.316 5.908 30 10 IKEE CC(C)(C)OC(=O)NCCC[C@H]1CCCCN1c1ccc(C#N)c(Br)c1F 2174808119 KKUPKJYATVURFY-OAHLLOKOSA-N 440.357 5.124 30 10 IKEE CC(C)CNCCC#Cc1sc(Br)c(Br)c1Br 2216394722 NIUAVKORHLNECD-UHFFFAOYSA-N 444.030 5.023 30 10 IKEE CCCCCCCCCCNc1ccc(Br)cc1I 2231673424 BERHETMDRSWVGR-UHFFFAOYSA-N 438.191 6.606 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C#Cc1ccccc1Br)NCCC 2235747931 UTGKYMPNEPIEDY-WOJBJXKFSA-N 435.406 5.028 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Br)cc(C(C)C)c1 2265998744 RBHDMPYIBVFNNT-MOPGFXCFSA-N 425.411 5.693 30 10 IKEE CC#CCC[C@H](OCCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2276433295 INWHJRWJPIVMSF-MHZLTWQESA-N 443.587 6.055 30 10 IKEE CCOC(=O)C1=C(Nc2ccc(Cl)cc2)SC(=Cc2ccc(OCC)cc2)C1=O 2293394520 RVVCUTSUDHDJGC-UHFFFAOYSA-N 429.925 5.282 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)CN(C(=O)OC(C)(C)C)[C@H](C)CC 2296299726 YSXAGWKEEWZXSZ-XLIONFOSSA-N 437.422 5.204 30 10 IKEE C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)C(=Cc3ccnn3-c3ccccc3)C[C@H]12 2297556301 PSHMDRHQJHJFAC-ATJSRDRVSA-N 442.603 5.758 30 10 IKEE O=C(C=Cc1c(Cl)cccc1Cl)c1ccc(OC(=O)c2ccccc2Cl)cc1 2314429568 KARCCKNDRSAVBB-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE COc1ccc(Br)cc1C=NNc1oc([C@H]2C[C@H]2c2ccccc2)nc1C#N 2320837390 UZKBZQMEHSNFKV-IRXDYDNUSA-N 437.297 5.034 30 10 IKEE Cc1ccc(COc2cccc(C=NNc3oc([C@@H]4C[C@@H]4c4ccccc4)nc3C#N)c2)cc1 2320840017 QDYMUUHJTIYEGB-JWQCQUIFSA-N 448.526 6.151 30 10 IKEE C=C(C)CSc1nnc(C2CC2)n1N=Cc1ccccc1OCc1ccccc1Cl 2320850010 DASSKUHPDDCILQ-UHFFFAOYSA-N 438.984 5.938 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2C2CC2)cc1 2320858334 JDPDBZZZTUQMAY-UHFFFAOYSA-N 434.609 6.126 30 10 IKEE Cc1ccc(OCc2nnc(S)n2N=Cc2ccc(Cl)cc2Cl)c(C(C)(C)C)c1 2322260414 QUMIRQHALINKJV-UHFFFAOYSA-N 449.407 5.941 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2cccc3ccccc23)cc1 2322456828 DFXQQRBBTNKZAM-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)NCc2ccccc2)c(C)c1 2322572661 BOZFWGGCBFKQHL-UHFFFAOYSA-N 433.935 5.548 30 10 IKEE O=c1c(Cl)c(NN=Cc2ccc(Cl)cc2Cl)cnn1-c1cccc(Cl)c1 2322607194 GHLMLTRAVWKQFK-UHFFFAOYSA-N 428.106 5.292 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCCCO)cc1 2322762909 SZQMHIMQAWVVGL-UHFFFAOYSA-N 430.972 6.347 30 10 IKEE CCc1ccc(NC(=O)COc2ccccc2C=CC(=O)c2ccc(OC)c(C)c2C)cc1 2322815541 JWSNAEHFGVTBBH-UHFFFAOYSA-N 443.543 5.788 30 10 IKEE O=C(C=Cc1cccc(OCc2ccc(Cl)cc2)c1)c1ccc(Br)cc1 2323081513 JXMWLUNHJASFEE-UHFFFAOYSA-N 427.725 6.578 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)c4ccc(Cl)c(Cl)c4)cc(C)c3C2=O)c1 2323259736 YJLXMOMJGNFOMP-UHFFFAOYSA-N 439.294 6.446 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCc3c(F)cccc3Cl)c(Cl)c2)cc1 2323464878 WZNBROSPDBNCBK-UHFFFAOYSA-N 429.318 7.170 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4cccc(OCC(C)C)c4)cc(C)c3C2=O)o1 2323580818 NEXYQKHIUKJNNL-UHFFFAOYSA-N 432.472 5.767 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OCC(=O)Nc1cccc(C)c1C 2323960248 RQOKYPVETKFBLZ-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE CCn1cc(C=C2Oc3c(CN4C[C@H](C)C[C@@H](C)C4)c(O)cc(C)c3C2=O)c2ccccc21 2324055158 LGHZPKYLVKWFQA-QZTJIDSGSA-N 444.575 5.769 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OCc1c(F)cccc1Cl 2324098039 TUQAGQVUTDDUIB-UHFFFAOYSA-N 440.854 5.692 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1cccc2ccccc12 2324139916 MPUPXBZCSGHXRH-UHFFFAOYSA-N 443.886 6.877 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2Cl)c1 2324447401 ZTHXGMYKOUCRRR-UHFFFAOYSA-N 433.935 6.179 30 10 IKEE Cc1ccc(OCCCOc2ccc3c(c2)OC(=Cc2c(F)cccc2Cl)C3=O)cc1 2324545187 QFILGFXUMBJKBU-UHFFFAOYSA-N 438.882 6.252 30 10 IKEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccccc1Cl 2325513871 NGNQBDGVBYKENR-UHFFFAOYSA-N 429.933 5.357 30 10 IKEE COc1ccccc1C(=O)C=Cc1cccc(OC(=O)CCCOc2ccc(C)cc2)c1 2325724162 MJWQZHJLKXTZQF-UHFFFAOYSA-N 430.500 5.664 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1OC(=O)Cc1ccccc1Cl 2325729018 MLSUJWPCFWNEQB-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OC(=O)c1ccc(F)c(F)c1F 2325735444 IECXWWOCFUWZCI-UHFFFAOYSA-N 440.417 5.845 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4cccc(C)c4C)c3C)C2=O)cc1 2325737912 FMNGGXVAOHXESA-UHFFFAOYSA-N 443.499 5.254 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1OC(=O)CC1CCCCC1 2325745765 DZYIEGFXBBXKRT-UHFFFAOYSA-N 434.576 6.765 30 10 IKEE CCCOc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(F)c(F)c3)c2)cc1 2325753461 YWNCPWGTDPYPTF-UHFFFAOYSA-N 436.454 5.798 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)c2cccnc2)c1 2325756019 GIXRBFKFXOPFEW-UHFFFAOYSA-N 428.271 5.512 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2cccc(C=CC(=O)c3cc(C(C)(C)C)ccc3C)c2)c1 2325765832 PZYBPIIZNDKFHF-UHFFFAOYSA-N 426.556 7.025 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)c2ccc3c(c2)OCO3)c1 2325783160 NUQMKTVATNVFJR-UHFFFAOYSA-N 436.847 5.193 30 10 IKEE C=CCSc1nnc(COc2ccccc2OCC)n1N=Cc1c(F)cccc1Cl 2326846297 HMBCPHWCRGUOTF-UHFFFAOYSA-N 446.935 5.209 30 10 IKEE CC(C)(C)OC(=O)N[C@@]1(C)C[C@H]2CC[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 2327836523 KMUVJGPGRAHHOG-MSFWWKAZSA-N 447.620 5.532 30 10 IKEE C=CCSc1nnc(CCc2ccccc2OC)n1N=Cc1ccc(Cl)cc1Cl 2328699612 LDVHQISGKSQLKG-UHFFFAOYSA-N 447.391 5.539 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccncc1 2329076744 LXYJNSNQQIFXKQ-UHFFFAOYSA-N 433.968 5.400 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2N=Cc2cccc(C)c2)cc1 2329249115 NSJPALBTIACMCF-UHFFFAOYSA-N 446.551 5.500 30 10 IKEE CCCSc1nnc(CCc2cccs2)n1N=Cc1ccc(Cl)cc1Cl 2329674371 BCJXEMSSTBRZLP-UHFFFAOYSA-N 425.410 5.816 30 10 IKEE CCc1ccc(C=Nn2c(Cc3ccc(C)cc3)nnc2SCc2ccccc2C)cc1 2329938757 RCKADJCVKLSCMA-UHFFFAOYSA-N 440.616 6.223 30 10 IKEE CCSc1nnc([C@H](C)c2ccccc2)n1N=Cc1ccc(OCc2ccccc2)cc1 2330092027 RQOCOACTCZQQIT-HXUWFJFHSA-N 442.588 6.003 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2F)n1N=Cc1ccc(O)cc1 2330108957 OQHYCGSHZASSQO-QGZVFWFLSA-N 432.524 5.449 30 10 IKEE Fc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2F)c(F)c1 2330492560 GAULEMAYOYMLHB-UHFFFAOYSA-N 438.478 5.461 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2c(F)cccc2Cl)cc1)c1cccc([N+](=O)[O-])c1 2330621996 WFSPYNCOFHWTMM-UHFFFAOYSA-N 425.799 5.503 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)ccc1OC(=O)CCOc1ccccc1 2330765226 FXRYHDPHKKAUGJ-UHFFFAOYSA-N 444.527 5.918 30 10 IKEE Cc1ccc(CSc2nnc(CC(C)(C)C)n2N=Cc2ccc(Cl)cc2Cl)cc1 2330801296 CJXWKFFDFPVLPX-UHFFFAOYSA-N 447.435 6.656 30 10 IKEE CCOc1cccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccccc2F)c1 2330845044 XLTAEEHIXXEERG-UHFFFAOYSA-N 426.561 5.579 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OC(=O)CCc1ccccc1C 2331159582 OWWVSGFZFQRFBE-UHFFFAOYSA-N 434.919 6.091 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3cccs3)c(OC)c2)cc1 2331187770 QSTYWDOUMRDZBJ-UHFFFAOYSA-N 442.920 5.924 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1N=Cc1ccccc1C 2331318271 REXNOOLIEKZNAY-UHFFFAOYSA-N 435.597 5.159 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H](C)c3ccccc3)c([N+](=O)[O-])c2)cc1C 2331707272 IFUSZAAVBHDVIB-LJQANCHMSA-N 429.472 5.817 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3OC)cc2)cc1C 2331835405 FPAJRJUKVMHNNG-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE CC(C)Oc1ccc(C=C(C(=O)Nc2c(C#N)nnn2-c2ccccc2)c2ccccc2)cc1 2332187597 URFSRXKOAUFXIM-UHFFFAOYSA-N 449.514 5.105 30 10 IKEE CC1(C)[C@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C[C@H]1OCc1ccccc1 2339537470 QGYFLSOGLSYHON-FGZHOGPDSA-N 434.389 5.522 30 10 IKEE Cc1ccc(COc2ccccc2/C=N\n2cnnc2SCc2ccc(C)cc2)cc1 2610553 ODWOEWLOPDKYPX-DICXZTSXSA-N 428.561 5.648 30 10 IKEE N#Cc1ccc(CSc2ncc(CO)n2CCC(c2ccccc2)c2ccccc2)cc1 4157989 LYMHJWKXNLHOAI-UHFFFAOYSA-N 439.584 5.762 30 10 IKEE Cc1cccc(C)c1/N=C1\Oc2ccccc2N(C(=O)C(F)(F)F)[C@@]1(C)c1ccccn1 4763288 BTVFTQFAISVIFA-ZYPBBJIESA-N 439.437 5.632 30 10 IKEE C=CC(C)(C)c1cc([C@@H]2COc3cc(O)c(CC=C(C)C)c(O)c3C2=O)c(OC)cc1O 15121008 UTHDGFYWNZCMEW-KRWDZBQOSA-N 438.520 5.143 30 10 IKEE biogenic CN1C(=O)/C(=C\c2ccc(OCc3ccccc3C#N)cc2)S/C1=N\c1ccccc1 17094492 DVEURUIBUFCIJC-WNIMSWJZSA-N 425.513 5.371 30 10 IKEE N#CC1(c2ccc(NC(=O)c3ccc(-c4ccc(Br)cc4)o3)cc2)CCCC1 20977931 KDDGIIKKJQJZFD-UHFFFAOYSA-N 435.321 6.297 30 10 IKEE CCOCCCNC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1 21722869 SLRMXMXCJNOQNQ-VWLOTQADSA-N 447.579 5.439 30 10 IKEE COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2cccc(C)c2)cc1OC 28052529 TWCIAMNXLKVWJP-HOYKHHGWSA-N 430.504 5.267 30 10 IKEE O=C1ON=C(c2ccccc2)/C1=C\c1ccc(-c2ccc(C(=O)OCc3ccccc3)cc2)o1 34908923 JGZCTYDEHJOFBN-JJIBRWJFSA-N 449.462 5.648 30 10 IKEE Cc1cc(C)c(OCc2nc(C#N)c(N(Cc3ccccc3)Cc3ccccc3)o2)c(C)c1 35342867 HMJQZBSXPLUOHP-UHFFFAOYSA-N 437.543 6.257 30 10 IKEE Cc1nnc(/N=C2/S/C(=C\c3cccc4ccccc34)C(=O)N2C2CCCCC2)s1 39866568 RTDHNFWPDWFRTO-QIEPSYMVSA-N 434.590 5.936 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OC(=O)c3cc4ccccc4o3)cc(C)c2C1=O 41352540 AAHSPOQAWXVALA-UUYOSTAYSA-N 426.424 5.585 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OC(=O)c3cc4ccccc4o3)cc(C)c2C1=O 41352567 RXHOYDZZMNYCHQ-QRVIBDJDSA-N 440.451 5.975 30 10 IKEE COc1cccc2cc(C(=O)Oc3cc(C)c4c(c3)O/C(=C\c3cccs3)C4=O)oc12 41354015 HAYIQBDMBCOHSU-UNOMPAQXSA-N 432.453 5.647 30 10 IKEE Cc1nnc([C@H](C)Sc2n[nH]c(N/N=C/c3c4ccccc4cc4ccccc34)n2)o1 59879671 QTSKCFJPYZYNOG-ZXCVBSDHSA-N 429.509 5.102 30 10 IKEE CCCCC/C=C/C/C=C/CCCCCCCC(=O)OCCCCCCCCCCCC 101259402 YEVRRNZSZWIYCX-OJWGMWDRSA-N 448.776 10.264 30 10 IKEE O=C1C(=O)N(c2ccc(F)cc2)[C@@H](c2ccccc2Cl)/C1=C(/O)c1ccc(Cl)cc1 102502392 ROMUWBVABRQNOU-LCPUNJGISA-N 442.273 5.759 30 10 IKEE N#C[C@@H](C(=O)c1cc(Br)c(Br)s1)c1c(F)cccc1Cl 128466913 FGVRSIWADKMKNA-ZCFIWIBFSA-N 437.515 5.556 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C)c2C)cc1 169925047 PXZSWKKQRNVNGZ-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(OCc3ccc(C)cc3)cc2)NC(=S)N1C 169935302 GIDRRVAIEQVNGK-RUZDIDTESA-N 442.584 5.592 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\Nc2nc(C)c(C(C)=O)s2)cc1OCC 169940488 XFZOCACQEYZMQS-UQQQWYQISA-N 445.629 6.628 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccccc2OC)cc1 169942178 WHNSYXMYMDIWGQ-VWLOTQADSA-N 441.527 5.657 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(Cl)ccc2O)[C@@H]1c1cccs1)c1ccc(F)cc1 169987402 WLWXEYXKBPFNIG-GOSISDBHSA-N 429.856 5.029 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@@H]1c1ccccn1 169994203 CEBCLAWOGGJDHN-QHCPKHFHSA-N 432.907 5.145 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccco2)cc1 170096015 CMGKEEYOWCZWLY-XMMPIXPASA-N 440.499 5.144 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(N(CC)CC)cc1 170138724 LFMOLRYTDJHHEA-HSZRJFAPSA-N 432.520 5.267 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(F)c4)[C@H]3c3cccs3)oc12 170155555 CBJIBCFAZKUUMI-FQEVSTJZSA-N 449.459 5.425 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2cccs2)c1 170158311 ORBVRSIMNOPCMH-HSZRJFAPSA-N 447.556 5.935 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2cccs2)cc1C 170160923 GKGUXHQLPJMMIV-HSZRJFAPSA-N 447.556 5.773 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2cccs2)cc1C 170160924 GKGUXHQLPJMMIV-QHCPKHFHSA-N 447.556 5.773 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccccn2)cc1 170173587 DMAKOEKKOSVSFE-QFIPXVFZSA-N 448.906 5.307 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccncc1)c1cccc2ccccc12 170199648 DICBDCVWSAKQFM-QHCPKHFHSA-N 442.421 5.296 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@H]1c1ccc(Cl)cc1 170236858 YMOMGNLVYCJYDZ-JOCHJYFZSA-N 441.955 5.734 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1Cc1cccs1 170269889 ADHKTUJRYDRVHV-XMMPIXPASA-N 439.536 5.988 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(C)o2)cc1 170299040 LGORVTDBHXFZHK-QFIPXVFZSA-N 435.451 5.299 30 10 IKEE CCCOc1ccccc1N1C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]1c1ccc(C(C)(C)C)cc1 170469818 NGITUVLMGKHGDW-QHCPKHFHSA-N 449.591 6.288 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)nc2ccccc12 170536929 JAURELUEQUIWNK-GOSISDBHSA-N 439.519 5.130 30 10 IKEE CCCCCCCSc1nc2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2s1 248247930 HSVGHVNJSBRRET-IQGAEYHTSA-N 426.607 5.670 30 10 IKEE C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C/c1ccc(OC(F)F)cc1)C2=O 253534362 UILXPFRZQGQVFT-XRQIEACWSA-N 442.546 6.174 30 10 IKEE COc1ccc(C=Nc2oc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)c2C#N)cc1 254525432 RUPLGVSGZVWVJE-UHFFFAOYSA-N 438.483 6.262 30 10 IKEE CCCN(C(=O)c1cccs1)C1CCN(c2cc(C#N)c3cc(Cl)ccc3n2)CC1 301734206 ALQLKXLLLVKJDW-UHFFFAOYSA-N 438.984 5.343 30 10 IKEE C=CCN(C[C@@H](Cc1ccc(C)c(Br)c1)NCCC)C(=O)OC(C)(C)C 407944379 VIWAAQGNMFYOIE-GOSISDBHSA-N 425.411 5.091 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2sccc2C)c1 526487701 GBYJWRKEQGOMAR-QHCPKHFHSA-N 444.556 6.164 30 10 IKEE CCOc1ccc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1OCC 526488985 OIOYIZJCVJWYJR-HSZRJFAPSA-N 446.528 5.474 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2ccc(F)cc2)[C@@H]1c1cccc(C(F)(F)F)c1 526605973 ANHCQKCJOZBEOL-NRFANRHFSA-N 438.380 5.773 30 10 IKEE COc1cc(/C=N\n2c(C)nnc2SCc2ccc(Cl)cc2)cc(Cl)c1OC 526806587 LGTWGKHQFAJIOG-YVNNLAQVSA-N 437.352 5.085 30 10 IKEE CCCOc1c(/C=N\n2c(CCC)nnc2SCc2cccc(C)c2)cccc1OC 526808324 RUPDRKYJZVZESJ-XYGWBWBKSA-N 438.597 5.511 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccccc1OCC 526812821 NGVXZHTUJNHGLZ-IWIPYMOSSA-N 428.989 5.847 30 10 IKEE Cc1ccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2cccc(Cl)c2)o1 526812982 UNFMVFXFTBCIMM-MYYYXRDXSA-N 436.968 5.793 30 10 IKEE CCc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccc(Cl)c(Cl)c1 526816953 QUCJNZXEFAXBJN-YVNNLAQVSA-N 425.772 5.975 30 10 IKEE CCOc1cc(/C=N\n2c(CC)nnc2SCc2c(F)cccc2Cl)ccc1OC 526817641 SCLNWWZJVCWSHZ-MSXFZWOLSA-N 448.951 5.215 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccc(N(C)C)cc1 526818051 OCJFVMGZXKTFMQ-QFEZKATASA-N 445.995 5.654 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)Nc3ccccc3CC)C2)c1 585880217 MFFHROUYSSWFDZ-QHCPKHFHSA-N 448.611 5.513 30 10 IKEE Cc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2ccc(OC(F)(F)F)cc2)cc1 586202310 ITDGCBJKSRZIRH-UHFFFAOYSA-N 446.450 5.161 30 10 IKEE CCc1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2cc(Cl)ccc2OC)cc1 586258092 FNSKGLFCJJOOFN-UHFFFAOYSA-N 440.952 5.178 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCC[C@H](C(F)(F)F)C1 698455579 KYSMOQSAGQNSPR-SCLBCKFNSA-N 447.295 6.205 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H]([C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C1 698829658 GCBZKTDTWHUFJC-QMHKHESXSA-N 449.979 5.621 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1 710717822 JCBDKCJZCPUELQ-MHECFPHRSA-N 429.561 5.276 30 10 IKEE O=C(Nc1ccc(Cl)cc1)[C@H]1CC(=O)N(Cc2ccccc2)C(=Nc2ccccc2)S1 1083908869 GZMDMBUDQUVXMJ-OAQYLSRUSA-N 449.963 5.501 30 10 IKEE Oc1c(Cl)cc(Cl)cc1C=Nc1cc(C(F)(F)F)ccc1Oc1ccccc1F 1084132544 DJWSKQNJVUAYMW-UHFFFAOYSA-N 444.211 7.400 30 10 IKEE C=CCCC(=O)Nc1ccc(COC(=O)c2ccc(-c3cccc(Cl)c3)nc2O)cc1 1269750163 LIJHIXUXADNEGC-UHFFFAOYSA-N 436.895 5.369 30 10 IKEE CCCC[B-]1(CCCC)/C(=N\c2ccccc2)[N+](c2ccccc2)=C(C)N1c1ccccc1 1615948422 MLAUJWFCNHITDZ-OWWNRXNESA-N 437.440 8.084 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=Nc1ccccn1 1772732100 UBQGJJSXUNPIQR-KDFQCDEHSA-N 432.461 5.040 30 10 IKEE CC(C)c1ccc(/C=C2/SC(=Nc3ccncc3Cl)N(c3ccccc3)C2=O)cc1 1772736037 JRJOYYUKCCMLTA-MBTIHVDPSA-N 433.964 6.667 30 10 IKEE Cc1cccc(N=C2S/C(=C\c3ccc(Br)o3)C(=O)N2C2CCCCC2)n1 1772739079 UWJBQAYNGSGJHB-NTCRLEKGSA-N 446.370 5.682 30 10 IKEE CCOC(=O)[C@H](Cc1cc(Cl)sc1Cl)N=C(c1ccccc1)c1ccccc1 1857787426 PNTADDUCBKREES-SFHVURJKSA-N 432.372 6.067 30 10 IKEE C=CCN(CC=C)c1nc(-c2ccnc(NCc3ccc(F)cc3)c2)cc2cnccc12 1857844386 YCCQSXMEDTXJKX-UHFFFAOYSA-N 425.511 5.621 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccccc1Cl 1861560931 BHLDECPSFKCZCT-XGAHLHMBSA-N 441.015 5.557 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc2cc[nH]c2c1 1862380573 GMFLFPREKWVLFM-LJQANCHMSA-N 429.303 5.463 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccccc2)cc1 1862387187 FFIZUZFWCGDCNP-SANMLTNESA-N 443.587 6.498 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(Cl)cc3)[C@H]2c2cccc(F)c2)cc1 1862474489 ONUZOZDSHSKCIJ-QHCPKHFHSA-N 449.909 5.609 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCCC2)cc1 1862480135 YOTQNVDBSXBQPB-XMMPIXPASA-N 433.548 5.695 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@@H](C)c2ccccc2)c1 1862489677 YBYQOZJLNYLGBW-UQBPGWFLSA-N 441.527 5.652 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccccc1Br 1862496213 FKPCACCSYUTHAT-LJQANCHMSA-N 428.326 5.054 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(OCCCC)cc1 1862600662 OXBCJUOAHCOGIA-HSZRJFAPSA-N 437.536 5.340 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(Cl)cc1Cl 1862632590 RVDHFRHJDPETNQ-WLRWDXFRSA-N 448.302 5.099 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862648930 MXWQJNURJUYHJE-HRFSGMKKSA-N 447.534 6.488 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(F)cc1F)c1ccc2ccccc2c1 1862712567 UJQHIFTXNLULDJ-QHCPKHFHSA-N 445.421 5.490 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1 1862888487 QGPUABHTSMFBKP-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CC(C)(C)c1ccccc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2cccs2)C1=O 1863117812 NAGCMQNOGJZRLZ-UHFFFAOYSA-N 427.529 5.314 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C(=O)OC)cc2)=C(c2ccc(C)cc2)C1=O 1863265371 YOCXRENCXXNPSE-UHFFFAOYSA-N 448.563 5.334 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC(Cc3ccccc3)CC2)nc(-c2ccc(F)cc2)n1 1867984252 QDXREFREYXIQAA-UHFFFAOYSA-N 442.582 5.920 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC(N3CCCCCC3)CC2)nc(-c2ccc(C)cc2)n1 1869170572 ZIELJCCKTLGWEV-UHFFFAOYSA-N 445.655 5.475 30 10 IKEE C=CCOc1cn(CCc2ccc(OC)cc2)c(CSc2ccc(Cl)cc2)cc1=O 1870244250 GUJBHPWMVCQLEV-UHFFFAOYSA-N 441.980 5.610 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccccc2F)cn1Cc1cccc(C)c1 1870341634 ANHQEIVYMGKZJC-UHFFFAOYSA-N 432.539 5.097 30 10 IKEE CCCCCCCOc1cn(CCc2ccc(F)cc2)c(CN2CCC(C)CC2)cc1=O 1870413282 YCHDZZZGMGXVKG-UHFFFAOYSA-N 442.619 5.811 30 10 IKEE CCCCCCCCn1cc(OCCOc2ccccc2)c(=O)cc1CN1CCCC1 1870600343 MPKWSYGELHPROP-UHFFFAOYSA-N 426.601 5.262 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc(C)c2)cn1Cc1ccccc1C 1870620638 JZMNQWIYEHEYSE-UHFFFAOYSA-N 428.576 5.266 30 10 IKEE C=CCOc1cn(CCCCCCCC)c(CNc2cc(Cl)cc(Cl)c2)cc1=O 1870811901 KITQBHHKHNOJIP-UHFFFAOYSA-N 437.411 6.693 30 10 IKEE CCCCCCCCn1cc(OCC(C)C)c(=O)cc1CNc1ccc(CCCC)cc1 1870857874 KIVDYRHNJAJREE-UHFFFAOYSA-N 440.672 7.198 30 10 IKEE CCCCCCCCn1cc(OCC(C)C)c(=O)cc1CNc1ccc(C)c(Cl)c1 1870858155 WRKUBHJUKYGMEU-UHFFFAOYSA-N 433.036 6.818 30 10 IKEE O=C1/C(=C/c2c(F)cccc2Cl)Oc2cc(OC(=O)c3ccc(F)c(F)c3F)ccc21 1871369997 CFAJFXXLNCGILH-NVMNQCDNSA-N 448.755 5.732 30 10 IKEE CCCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2C)C3=O)c1 1871390798 DZQHQUCXWWPLCS-IWIPYMOSSA-N 442.467 5.536 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(ccc(OCCc4ccccc4)c3C)C2=O)cc1 1871400172 MFVVMYIIXBRNKW-XHPQRKPJSA-N 427.544 6.079 30 10 IKEE Cc1ccccc1OCCCCOc1ccc2c(c1)O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 1871404112 BROGGERDGYBBAM-XYGWBWBKSA-N 445.471 5.757 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(O[C@@H](C)C(=O)Nc3c(C)cccc3C)cc(C)c2C1=O 1871431739 VPJXXKXSACOTQU-PKIWBCANSA-N 447.556 6.004 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCc4cccc5ccccc45)ccc3C2=O)c1OC 1871433903 IAYFWSZDRVZVRQ-YSMPRRRNSA-N 438.479 6.052 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2cccs2)C3=O)c(Cl)c1 1871436311 UVXRKCHWJYUJEG-JAIQZWGSSA-N 425.893 5.344 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(OC)cc2)[nH]c(N(CCC)CCC)n1 1871561259 CZFVYAYQKZMXGT-UHFFFAOYSA-N 428.625 5.445 30 10 IKEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1ccccc1 1871819620 QMRNJVNQZPVICG-DEOSSOPVSA-N 442.625 5.259 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(F)cc1 1872512989 GAGJUCLZDDZHEQ-QHCPKHFHSA-N 446.588 5.207 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(C)c(C)c1 1872529462 HGKDSYSOGOBKDA-DEOSSOPVSA-N 442.625 5.294 30 10 IKEE N#C[C@H](C(=O)c1ccccc1C(=O)c1ccccc1)c1nc(-c2ccc(F)cc2)cs1 1872776862 ZOXRBIAJDSQRNJ-OAQYLSRUSA-N 426.472 5.670 30 10 IKEE COc1cc(-c2csc([C@H](C#N)C(=O)Cc3ccc(F)cc3F)n2)c(OC)cc1Cl 1872780220 CNJLQPVFDOIQNU-CQSZACIVSA-N 448.878 5.178 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@H](C#N)C(=O)COc2c(C)ccc(C)c2C)n1 1872788600 MAFQKIYYXDKCPR-GOSISDBHSA-N 440.952 5.653 30 10 IKEE CCCCN(CCCC)CC(=O)[C@H](C#N)c1nc(-c2ccc(OC)cc2OC)c(C)s1 1872800873 XJZKJTIUSPIEMM-FQEVSTJZSA-N 443.613 5.214 30 10 IKEE CC[C@@H](C)OC(=O)c1ccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)cc2)cc1 1872869884 YEPGYYMCERUFPF-GOSISDBHSA-N 428.488 5.345 30 10 IKEE CC[C@@H](C)c1ccccc1NC(=O)c1cccc(CSc2nc(C)c(C)c(C)c2C#N)c1 1872893371 UVZAWAVIWDWWTL-QGZVFWFLSA-N 443.616 6.937 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(F)cc2)C(=O)N(C2CCCCC2)C1=O 1873138030 YTQXGDFUIHURRP-UHFFFAOYSA-N 428.592 5.969 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2OC(C)C)=C(c2cccnc2)C1=O 1873269385 SOOKLCIUOJKOTQ-UHFFFAOYSA-N 435.568 5.421 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(F)c(F)c2)=C(c2ccccc2)C1=O 1873413155 ORIIFUJWQWIUJU-UHFFFAOYSA-N 440.534 6.298 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1/N=C/c1c(C(=O)O)[nH]c2ccc(C)cc12 1873500353 RYTXWMAOGOIUST-DHRITJCHSA-N 447.564 5.201 30 10 IKEE C=CCn1c(C(=O)Nc2cc(C)cc(C)c2)cc2c(N(C)Cc3ccccc3)ncnc21 1873660770 RERGMNRVMWTJIA-UHFFFAOYSA-N 425.536 5.123 30 10 IKEE CCOc1ccc(CCc2nnc(SCC)n2/N=C/c2cccc(Cl)c2)cc1OC 1874200284 UCQCAEVXZPZQAM-BUVRLJJBSA-N 444.988 5.118 30 10 IKEE Cc1cccc(OCCCc2nnc(SCc3ccccc3F)n2/N=C/c2ccc[nH]2)c1 1874246946 DWRITSAVPOYNLK-JVWAILMASA-N 449.555 5.240 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(Cl)cc3)n2/N=C/c2ccncc2)cc1 1874339316 QWZAMQNUBDDOBN-CVKSISIWSA-N 433.968 5.400 30 10 IKEE COc1ccccc1/C=N/n1c(CCOc2ccccc2)nnc1SCc1ccccc1 1874346243 DYJPKLCWGNMKIN-NLRVBDNBSA-N 444.560 5.083 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2)n1/N=C/c1ccc(Cl)cc1 1874362524 JCZDBNHJCPQTQV-WPWMEQJKSA-N 447.007 6.200 30 10 IKEE Cc1ccccc1/C=N/n1c(CCc2cccs2)nnc1SCc1ccccc1C 1874368575 HZOWZPJQZMKCHQ-PCLIKHOPSA-N 432.618 5.916 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C/c2cccc(F)c2)cc1 1874396365 GLVRRAKKHDQHCJ-WPWMEQJKSA-N 430.552 5.685 30 10 IKEE CCSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874397142 RQOCOACTCZQQIT-QZCBGFPPSA-N 442.588 6.003 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2ccc(N(C)C)cc2)c1 1874416063 XAQQZPXEKUMJPB-OVVQPSECSA-N 441.604 5.418 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2-c2ccccc2)cc1 1874429656 UXUOFWSHSHQFMJ-WGOQTCKBSA-N 432.980 6.335 30 10 IKEE Cn1cc(/C=N/n2c(CC(C)(C)C)nnc2SCCc2ccccc2)c2ccccc21 1874438586 IGHBGXWAAGLPAM-YZSQISJMSA-N 431.609 5.575 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874491304 KJWBDIVLPUBLJI-WSDLNYQXSA-N 429.933 5.213 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccccc3F)nnc2C2CCC2)cc1OC 1874495542 QOACBLKOLMHVDE-AFUMVMLFSA-N 440.544 5.267 30 10 IKEE Fc1cccc(Cl)c1/C=N/n1c(SCc2ccccc2Cl)nnc1C1CCC1 1874496170 YBZDMNLJKMQWEA-BHGWPJFGSA-N 435.355 6.166 30 10 IKEE Cc1ccccc1COc1ccc(/C=N/n2cnnc2SCc2cccc(F)c2)cc1 1874538246 UQISQPDOEZGSBB-MZJWZYIUSA-N 432.524 5.479 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1ccc(F)cc1)c1ccc(Br)cc1 1874574461 NUXBFGNYHFWMHB-VZUCSPMQSA-N 445.715 6.717 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2ccc([N+](=O)[O-])cc2)cc1F 1874582206 CIZFNXZSJBHPTO-XYOKQWHBSA-N 437.423 5.226 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC)c2OCc2ccccc2C)cc1C(C)C 1874584818 CKHUMRSDVNVUOG-CCEZHUSRSA-N 444.571 6.919 30 10 IKEE CCCOC(=O)COc1c(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cccc1OC 1874585014 IFIUNSKZQDFKCC-VAWYXSNFSA-N 440.536 5.364 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C)c(C)c2)c1OCC(=O)Nc1ccc(C)cc1 1874587834 HKNZEKYRBNDZBF-NTCAYCPXSA-N 429.516 5.534 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCc2ccccc2Cl)c(OC)c1OC 1874592527 OAPIWCXKZZANIX-WYMLVPIESA-N 438.907 5.841 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1OCc1ccc(Cl)cc1 1874593228 YQCULVPCXTZBKH-RIYZIHGNSA-N 428.915 6.977 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)c(C)c1C 1874598594 UZHPKAUXFFXGIZ-JLHYYAGUSA-N 443.543 5.842 30 10 IKEE COc1cc(C(=O)/C=C/c2cccc(OCc3cccc(F)c3)c2)c(OC)cc1Cl 1874599083 UWYQTIOZHQEGCZ-MDZDMXLPSA-N 426.871 5.971 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1OCc1cccc(Cl)c1 1874599265 DHOCAVHRYVTWLR-CSKARUKUSA-N 436.935 6.449 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1C 1874616221 OPSWKQFYFAOKBL-JLHYYAGUSA-N 449.934 5.879 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1c(C)cccc1C 1874616736 PTAANGMZGKCFEA-RVDMUPIBSA-N 443.543 5.924 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCc3cccc4ccccc34)c([N+](=O)[O-])c2)c(C)c1 1874617416 AESFZYNAVZAXNS-SDNWHVSQSA-N 437.495 6.840 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OCc1c(F)cccc1Cl 1874620162 MARCLMFHLUBRPB-YRNVUSSQSA-N 442.889 6.800 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1 1874634935 ALYISFLRTYSEHF-FMIVXFBMSA-N 436.954 7.560 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3)c([N+](=O)[O-])c2)c1 1875102394 TVWCEULFODEWNT-JLHYYAGUSA-N 431.444 5.038 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccccc1Cl 1875111653 NIVWVSNBWZMFRY-KPKJPENVSA-N 442.254 6.017 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2Cl)cc1 1875132007 ZUROITKREITIRY-AWNIVKPZSA-N 434.919 6.471 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1 1875148709 LJJYWIYOTLGLNP-DEDYPNTBSA-N 434.535 7.253 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)ccc1OC(=O)c1cc(C)cc(C)c1 1875152127 OFCFIJBJZFQJBL-RMKNXTFCSA-N 448.490 5.965 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc(C)cc(C)c3)c(Cl)c2)c(C)c1C 1875168253 ZBAXPGFCTLWYGK-RMKNXTFCSA-N 448.946 6.698 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OC(=O)c1ccccn1 1875168748 SKPUZHFBZGELTG-ZHACJKMWSA-N 445.515 5.448 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccccc2)c(Cl)c1 1875192958 MBOGLBMOMZJRGB-JXMROGBWSA-N 427.283 6.117 30 10 IKEE O=C(Nc1c(F)cc(F)cc1Br)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1889934483 SZBGUHCJOXWVIS-UHFFFAOYSA-N 448.107 6.017 30 10 IKEE COc1ccc2c(Cl)c(C(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)sc2c1 1890749181 YJPPNJOGOUUBBT-UHFFFAOYSA-N 426.925 5.119 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1930146983 BOHSQIKQFUVVAQ-NLFFAJNJSA-N 443.588 5.401 30 10 IKEE CC[C@](C#N)(CCNC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)c1cccc(OC)c1 1942387486 DUIFRCFYDCPPAU-HSZRJFAPSA-N 433.549 5.024 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 1944380607 WTANGYJIPMZTRR-HOOSLVGPSA-N 429.561 5.356 30 10 IKEE N#Cc1csc([C@@H](CCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 1951962118 MFCRWMUXXQNXDP-OAQYLSRUSA-N 432.501 5.064 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 1953244006 UANCZTMGHQRUBJ-DFBJGRDBSA-N 443.588 5.353 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@H](C#N)[C@]1(C)CCCN1C(=O)OC(C)(C)C 2020805065 WYOZSKJKJABOHW-JPYJTQIMSA-N 449.979 5.763 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)cn1 2050053495 KTLSKVTULUQZQH-SFHVURJKSA-N 442.491 5.574 30 10 IKEE C=CCC1([C@H](NCCC)c2ccc(Br)s2)CN(C(=O)OC(C)(C)C)C1 2072353869 BKELWWZITNUQJU-MRXNPFEDSA-N 429.424 5.365 30 10 IKEE CCOC(=O)c1c(C(C)(C)C)nn(Cc2ccc(C(F)(F)F)c(F)c2)c1C(F)(F)F 2079034679 QFHHRJVEVUNSJH-UHFFFAOYSA-N 440.359 5.582 30 10 IKEE C=CCCCCCC[C@H](NCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2085854613 QVVQABBTWUKNJC-RPLLCQBOSA-N 443.676 5.661 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1ccc2c(c1)OCC2 2149632393 KPESMRPKWNLZGZ-SFHVURJKSA-N 429.314 5.390 30 10 IKEE CC1(C)OB(c2ccc(CNc3c(Cl)cc(F)cc3Br)cc2)OC1(C)C 2151198489 NOERXZABIAOEGH-UHFFFAOYSA-N 440.549 5.153 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2cc(Br)c(C#N)cc2F)CC12CCC2 2162347023 RGBXJKYBCHEIND-CQSZACIVSA-N 438.341 5.194 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CC[C@@H]2CCCN[C@H]2C1 2166979561 JSXMPOAVOXBMDD-UQASEVPWSA-N 434.378 5.005 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](Nc2cc(Br)c(C#N)cc2F)C[C@@H]1C1CC1 2198267874 WVIIWUDQKZNZEK-KBXCAEBGSA-N 438.341 5.050 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)[C@H]1C[C@H]1C1CCOCC1 2200290302 CINLWTSECSKIBF-TXPKVOOTSA-N 435.362 5.145 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCCNC12CCCC2 2204344647 DPSMGOJJLIBOCK-NRFANRHFSA-N 434.378 5.149 30 10 IKEE C=CCC[C@@H](C)[C@H](NC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229122792 HOOPUPGBJHZBBP-MNEFBYGVSA-N 425.411 5.075 30 10 IKEE C=C(C)CC[C@@H](NCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229130124 KRFAXWPHUGYUFS-MOPGFXCFSA-N 425.411 5.219 30 10 IKEE CC(C)(C)OC(=O)NCCC1([C@H](O)C#Cc2ccccc2Br)CCCCC1 2235740093 MMVWAYWUOCMQTB-LJQANCHMSA-N 436.390 5.027 30 10 IKEE C=CCCC1([C@@H](O)Cc2cc(Cl)cc(Br)c2)CN(C(=O)OC(C)(C)C)C1 2266200918 GQDVOUNUTBFBHJ-KRWDZBQOSA-N 444.797 5.209 30 10 IKEE C=CCCC1([C@H](O)Cc2cc(Br)ccc2Cl)CN(C(=O)OC(C)(C)C)C1 2266311006 WBXGSTNFMBWGNS-QGZVFWFLSA-N 444.797 5.209 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1csc(C2CC2)c1 2267882753 WTQXKMATHOABGC-QGZVFWFLSA-N 433.371 6.394 30 10 IKEE CN[C@@H](C#Cc1ccccc1F)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2281362568 HYRXHWSRHBVTNO-IBGZPJMESA-N 433.321 5.247 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@H]2Nc1c(Br)cccc1C#N 2285181046 OPOGTYNOBVLXKL-SFHVURJKSA-N 428.330 5.767 30 10 IKEE CC(C)[C@]1(Nc2ccc(C#N)c(Br)c2F)CCCN(C(=O)OC(C)(C)C)C1 2289960425 QZECJNFHNXWVTC-FQEVSTJZSA-N 440.357 5.297 30 10 IKEE CC1(C)CC(N=C2C=CC3=N[C@@]45CCCC[C@@H]4CC4=C(CCCC4)N5C3=C2)CC(C)(C)N1 2297450323 VSDVPTFEBFDIBD-PIIWDFAUSA-N 432.656 6.065 30 10 IKEE CC1(C)CC(N=C2C=CC3=N[C@@]45CCCC[C@H]4CC4=C(CCCC4)N5C3=C2)CC(C)(C)N1 2297450324 VSDVPTFEBFDIBD-WTYVLRPYSA-N 432.656 6.065 30 10 IKEE CCCc1nn(-c2nc3ccccc3s2)c(O)c1C(C)=Nc1cc(Cl)ccc1O 2297740196 NTXURDMOSSRYGX-UHFFFAOYSA-N 426.929 5.640 30 10 IKEE COc1cccc(C=C2SC(=Nc3cccc(C)n3)N(C3CCCCC3)C2=O)c1OC 2314540259 MQBGZJYXHYUCAK-UHFFFAOYSA-N 437.565 5.344 30 10 IKEE CCCCCCCCCCCCCCCCn1c(C=Cc2ccccc2)nc2ccccc21 2314898968 JEQMDSWFPMYXKH-UHFFFAOYSA-N 444.707 9.688 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](CSc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2317309135 PWGUVUCCZOBGEQ-NCUBBLFSSA-N 446.422 5.075 30 10 IKEE Cc1c(OCc2ccc(Cl)cc2)ccc2c1OC(=Cc1ccc(Cl)cc1Cl)C2=O 2321770854 OPNVZEXIFPGJKY-UHFFFAOYSA-N 445.729 7.150 30 10 IKEE O=C(COc1ccccc1C=CC(=O)c1ccc(-c2ccccc2)cc1)Nc1nccs1 2322286963 ROXUCRQTUUMTBL-UHFFFAOYSA-N 440.524 5.724 30 10 IKEE CC(C)(C)n1ncc(NN=Cc2ccccc2OCc2ccccc2Cl)c(Cl)c1=O 2322601438 UMHNPYSLTIFXQU-UHFFFAOYSA-N 445.350 5.330 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1)c1cccc2ccccc12 2322724654 IDPJTPKJJLTDCS-UHFFFAOYSA-N 443.886 6.877 30 10 IKEE Cc1c(OC(=O)c2ccccc2Cl)ccc2c1OC(=Cc1ccc(Cl)cc1)C2=O 2322724961 DXVDKGGKWXTHPU-UHFFFAOYSA-N 425.267 6.137 30 10 IKEE C=C(C)COc1c(C=CC(=O)c2ccc(OC)c(C)c2C)cc(Br)cc1OC 2322825245 GWZRZISJCRWEKU-UHFFFAOYSA-N 445.353 5.934 30 10 IKEE COc1cccc(C=CC(=O)c2cc(C)cc(C)c2OC)c1OCc1ccccc1Cl 2322856796 RMDPXFSETVQCDW-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE Cc1ccc(C(=O)C=Cc2c(OCC(=O)NC3CCCCC3)ccc3ccccc23)cc1C 2322886666 WIDPTWVKWCMEPA-UHFFFAOYSA-N 441.571 6.180 30 10 IKEE COc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1OCc1cccc2ccccc12 2323044269 AQZQFIIPZJGNQS-UHFFFAOYSA-N 439.467 6.232 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OC(=O)C=Cc4ccc(F)cc4)c3C)C2=O)c1 2323044426 KYPKHBTZXXXMNM-UHFFFAOYSA-N 430.431 5.378 30 10 IKEE COc1cc(C=NNc2nc3ccc(C)cc3[nH]2)cc([N+](=O)[O-])c1OCc1ccccc1C 2323202325 FMVRURIVQCFFAH-UHFFFAOYSA-N 445.479 5.122 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)cc1C 2323248247 RYCUVHXRDXRMTK-UHFFFAOYSA-N 440.539 6.745 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OC(=O)c4ccc([N+](=O)[O-])cc4Cl)c3C)C2=O)c1 2323303154 OJDKQZRZECCPKF-UHFFFAOYSA-N 449.846 5.700 30 10 IKEE Cc1ccc(C(C)(C)C)cc1S(=O)(=O)NN=Cc1ccccc1OCc1ccccc1 2323352556 MAUUQSSBHWUAJV-UHFFFAOYSA-N 436.577 5.184 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3F)cc2)cc1 2323536466 ALIACNTWCXWJHI-UHFFFAOYSA-N 431.507 6.082 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Br)c(OCCO)c(OC)c2)cc1 2323552989 JQBVWMNRVZMJCL-UHFFFAOYSA-N 433.342 5.068 30 10 IKEE CCOc1c(Br)cc(C=CC(=O)c2ccc(F)cc2F)cc1Br 2323720427 VKMVARIYZFEMHV-UHFFFAOYSA-N 446.085 5.785 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c([N+](=O)[O-])c2)cc1 2323908829 BRWCTSIDFRIXJU-UHFFFAOYSA-N 444.487 5.434 30 10 IKEE Cc1cc(OCCc2ccccc2)cc2c1C(=O)C(=Cc1ccccc1Br)O2 2324281607 ILYFOEWNXFWVQG-UHFFFAOYSA-N 435.317 5.995 30 10 IKEE COc1ccc(OC)c(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)c1 2324353746 LCRGLZFZPCINKZ-JOCHJYFZSA-N 440.524 5.870 30 10 IKEE COc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)c(OC)c1 2324356668 KKKITRUANCCGRC-QFIPXVFZSA-N 444.556 5.596 30 10 IKEE Cc1cc(O[C@H](C)C(=O)Nc2ccccc2)cc2c1C(=O)C(=Cc1cccc(Cl)c1)O2 2324404245 LZUZOTMEOPRUDW-MRXNPFEDSA-N 433.891 5.671 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OCc2ccccc2)c(Cl)c1 2324532455 ZQLFMEACYHZIOX-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCCCCOc3ccccc3)cc(C)c2C1=O 2324585013 LGIFEZHGSIFBJF-UHFFFAOYSA-N 444.527 6.248 30 10 IKEE COc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1OC 2324719071 PVABOHPCQJYXQJ-FQEVSTJZSA-N 446.572 5.951 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCC(=O)Nc4c(C)cccc4C(C)C)ccc3C2=O)c1 2324989913 WAOXNQZWDJDVOS-UHFFFAOYSA-N 441.527 6.061 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(O[C@H](C)C(=O)Nc4c(C)cccc4C)c3C)C2=O)cc1 2325145442 ZZHDSLOUAVYTRL-HXUWFJFHSA-N 441.527 5.942 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(C(C)C)cc2)cc2c1C(=O)C(=Cc1cccs1)O2 2325318509 VWBWWHZWKVBBAD-UHFFFAOYSA-N 433.529 5.814 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OCC(=O)Nc3nc4ccccc4s3)ccc2C1=O 2325589997 YGFBTDXQKKCCQA-UHFFFAOYSA-N 442.496 5.238 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2cccs2)C3=O)cc1 2325619994 AOKYVTIZFGLRTK-MRXNPFEDSA-N 447.556 6.204 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cccc(Cl)c3)c2)cc1C 2325713818 YALRYUZOWGIUOX-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE CCCCC1CCC(C(=O)Oc2cccc(C=CC(=O)c3cc(C)cc(C)c3OC)c2)CC1 2325757640 ZPSLKJYQKXQUBR-UHFFFAOYSA-N 448.603 7.110 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OC(=O)c1c(F)cccc1Cl 2325760002 UQENCGYKNXDITK-UHFFFAOYSA-N 438.882 6.220 30 10 IKEE CCCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1cccc(F)c1 2326020555 JZXDKDUYRZZOIH-UHFFFAOYSA-N 432.952 5.467 30 10 IKEE CCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccccc1OCC(C)C 2326546435 XQILEGOHZVTPFX-UHFFFAOYSA-N 428.989 5.703 30 10 IKEE CCOc1ccc(OCc2nnc(SCC)n2N=Cc2ccccc2OC(C)C)cc1 2326660397 QXEDFCTYEPIKOD-UHFFFAOYSA-N 440.569 5.037 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccccc1OC(C)C 2327576078 FRTZBKVEZNFQJY-UHFFFAOYSA-N 444.988 5.682 30 10 IKEE Cc1ccc(CSc2nnc(COCc3ccccc3)n2N=Cc2cccc(C)c2)cc1 2329302683 NXIROSJDRIFYTR-UHFFFAOYSA-N 442.588 5.786 30 10 IKEE CCCOc1c(C=Nn2c(SCC)nnc2-c2ccccc2Cl)cccc1OC 2329560524 VAJOXNKXDCIWRC-UHFFFAOYSA-N 430.961 5.390 30 10 IKEE Cc1ccccc1C=Nn1c(Cc2ccccc2F)nnc1SCc1ccc(F)cc1 2329703520 PXEQQFMKQBZLPK-UHFFFAOYSA-N 434.515 5.630 30 10 IKEE CSc1nnc(CC2CCCCC2)n1N=Cc1ccc(OCc2ccc(C)cc2)cc1 2330221583 KIMUABODBBWWMN-UHFFFAOYSA-N 434.609 5.892 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccccc3F)nnc2-c2cccs2)c1O 2330583502 DDYVNVHEZFVGIJ-UHFFFAOYSA-N 440.525 5.034 30 10 IKEE CN(C)c1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2-c2ccccc2)cc1 2330694293 LLUAKRJVIGGXMJ-UHFFFAOYSA-N 447.995 5.839 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3cccc(F)c3)c(OC)c2)cc1 2330736953 HHERGXUJUHIUJF-UHFFFAOYSA-N 438.882 6.165 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)c(C)c3)cc2)cc1 2330824480 WRBUORHLGSWPHO-UHFFFAOYSA-N 426.556 6.690 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)CC1CCCCC1 2331081753 PTMQPRRTMOCWAE-UHFFFAOYSA-N 448.893 6.399 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1)c1ccc(F)cc1F 2331084394 NVTFRBZGGPLLRU-UHFFFAOYSA-N 443.789 5.642 30 10 IKEE Cc1cc(OCC(=O)Oc2ccc(C=CC(=O)c3cccc(Cl)c3)cc2)ccc1Cl 2331116048 CEWDGWMOPQFPPL-UHFFFAOYSA-N 441.310 6.182 30 10 IKEE CCOc1cc(C=Nn2c(SC)nnc2-c2ccco2)ccc1OCc1ccccc1 2331165500 RYGCWJPACSMQSI-UHFFFAOYSA-N 434.521 5.120 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)c(F)c2F)c([N+](=O)[O-])c1)c1ccccc1 2331170461 VZWCQWHEKXRYPH-UHFFFAOYSA-N 427.334 5.127 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)Cc1cccs1 2331212929 QKPJDZYZGNNSLY-UHFFFAOYSA-N 440.948 6.071 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccc(C)cc3C)c(Cl)c2)cc1 2331260102 LDDCZCDZUNFHDD-UHFFFAOYSA-N 434.919 6.146 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3)c(Br)c2)cc1 2331266741 CTAMKMLJNUNYMX-UHFFFAOYSA-N 439.280 6.012 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)C3CCC3)c(OC)c2)cc1 2331294164 XNSOAFBAALVWGG-UHFFFAOYSA-N 428.912 5.739 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccccc3-c3ccccc3)cc2)c1 2331318539 WOOVLHAKAKBHFT-UHFFFAOYSA-N 432.519 7.086 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)ccc1F 2331332932 CIBLJBDUAWTKJI-UHFFFAOYSA-N 429.274 6.556 30 10 IKEE CCOc1c(C=Nn2c(SCc3cccc(C)c3)nnc2C(C)(C)C)cccc1OC 2331378737 WSBOLNVYMRZHLT-UHFFFAOYSA-N 438.597 5.466 30 10 IKEE COc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1 2331411994 ZZTPOUSNVPBKGH-UHFFFAOYSA-N 444.527 5.873 30 10 IKEE Cc1ccsc1C=Nn1c(CC(C)C)nnc1SCC(=O)Nc1c(C)cccc1C 2331450536 VVZOJWKJTFEOMZ-UHFFFAOYSA-N 441.626 5.076 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3Cl)c(OC)c2)cc1F 2331467490 WYENJEVODWKSEP-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE CSCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] 2331498293 BZOPTNXYKVAHRK-UHFFFAOYSA-N 427.522 5.663 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)c1ccc(F)cc1F 2331512161 KPFSURAEPOJFLP-UHFFFAOYSA-N 446.808 5.881 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)Cc1cccs1 2331531433 YXFFBMIFFPTBPY-UHFFFAOYSA-N 444.911 5.984 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(O)cc1O 2331657598 GCHVHIUPPGDENN-UHFFFAOYSA-N 437.352 5.123 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C(C)C)cc1 2331706396 LKMQCIZZKXZUSX-UHFFFAOYSA-N 430.577 6.128 30 10 IKEE CCCC(=O)Oc1c(Br)cc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OC 2331773839 NVORRNJYCLTTGV-UHFFFAOYSA-N 445.353 5.985 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2cc(Cl)ccc2OC)cc1Cl 2331876850 RRVGEDUNCIEHTI-UHFFFAOYSA-N 435.347 6.774 30 10 IKEE CC(C)[C@@H](CCNC(=O)OC(C)(C)C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339589395 WXMOXNOWXHYMKR-LJQANCHMSA-N 446.397 5.044 30 10 IKEE CO[C@@H](C#CC(=O)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1)C1CCCC1 2369586240 KEZQNTRHEZQZRF-IBGZPJMESA-N 436.346 5.187 30 10 IKEE CCCCCCCN[C@@](C)(C(=O)O)c1cc(Br)c(Br)s1 2375623958 DSBAFTWAUUDBHY-CQSZACIVSA-N 427.202 5.133 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C/c2ccc(C(C)(C)C)cc2)C3=O)cc1 2448599 RPULINIQRAKVEA-BUVRLJJBSA-N 428.484 5.828 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(C(C)C)cc2)cc1 5924048 WSTDWZQDLUVUMB-HSZRJFAPSA-N 431.488 5.585 30 10 IKEE Cc1ccc(NS(=O)(=O)c2ccc(/N=C/c3ccc(Br)cc3)cc2)c(C)c1 12482222 NNTKDTQLADBVLO-OEAKJJBVSA-N 443.366 5.617 30 10 IKEE Cc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2nc(SCc3ccccc3)nn21 17097176 KYUQQIPAPLFSLE-JOCHJYFZSA-N 430.577 5.537 30 10 IKEE Cc1ccc([C@H]2C3=C(C[C@H](c4cccc(Cl)c4)CC3=O)Nc3nc4ccccc4n32)cc1 19630837 SBVCMFPLLMZDNF-SIBVEZHUSA-N 439.946 6.414 30 10 IKEE Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(SCc4cccc(F)c4)nn32)cc1 20850490 FCTGPFJVYUOKLL-QFIPXVFZSA-N 448.567 5.676 30 10 IKEE COc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cccc([N+](=O)[O-])c1 20884347 DKCNZYWDMIEQFU-QUGAMOGWSA-N 441.487 5.583 30 10 IKEE O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccc(O)c([N+](=O)[O-])c1)Nc1ccccc1N2 21219199 DPLRJNQUZZXSFB-GKVSMKOHSA-N 427.460 5.280 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc3ccccc23)cc1OC 21249066 NCCGTDDKPCXWDF-SIKLNZKXSA-N 441.527 5.251 30 10 IKEE CC(C)CN(CC(C)C)C[C@@H](O)Cn1cc(/C=C\C(=O)c2ccccc2)c2ccccc21 33248414 HJTYKSOEELGIMP-IHXXNJTDSA-N 432.608 5.512 30 10 IKEE c1ccc([C@@H]2C/C(=N/N=C3/C[C@@H](c4ccccc4)Oc4ccccc43)c3ccccc3O2)cc1 34095780 YRRHIUDRTJZIPK-VWNUPWHTSA-N 444.534 6.928 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccc2ccccc12 40097648 NDDDWLAOMXKDQH-DEOSSOPVSA-N 425.484 5.964 30 10 IKEE C=C(C)C(=O)N[C@H](C)c1nc2ccccc2n1CCCCOc1ccc([C@H](C)CC)cc1 40191227 XHEOVWTVWQYMFW-NHCUHLMSSA-N 433.596 6.162 30 10 IKEE C[C@@H](Nc1nc2c(C#CC3CC3)c[nH]c(=O)c2c2cc(-c3cn[nH]c3)ccc12)C(C)(C)C 89469588 XDVFCQNIWVDULB-OAHLLOKOSA-N 425.536 5.074 30 10 IKEE CCCCCCCOc1ccc(NCc2ccccc2OCCOc2ccccc2)cc1 100033751 YXSFBKCHRFAOEI-UHFFFAOYSA-N 433.592 7.106 30 10 IKEE CCOc1ccc(N(/C=C2/Sc3ccccc3C2=O)C(=O)c2cccc(Cl)c2)cc1 100239516 OVPWZDQFPBJOOV-PXLXIMEGSA-N 435.932 6.216 30 10 IKEE CCCCCCCCCCCCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)CCCCCC 100438723 RLPZLILSODDBHQ-JOCHJYFZSA-N 438.653 5.138 30 10 IKEE Clc1ccc(-c2ccc(/C=N\c3cccc(-c4nc5cc(Cl)ccc5o4)c3)o2)cc1 101633596 WMFZAXUUWNKSFF-VYYCAZPPSA-N 433.294 7.812 30 10 IKEE CCCCCCCCCCCn1c(CCNC(=O)CCc2ccccc2)nc2ccccc21 102141663 HYUSZCOEICUBQA-UHFFFAOYSA-N 447.667 6.859 30 10 IKEE CCCCCCCCN(CCCCCCCC)C(=O)COc1ccc(Cl)cc1Cl 104777761 JTWYDRBVBGUZKL-UHFFFAOYSA-N 444.487 7.922 30 10 IKEE CCCCOc1ccc([C@H]2C=C[C@@H](c3ccc(OCCCC)cc3)[C@@H](C#N)[C@H]2C#N)cc1 144649092 QKLHVENVSYUZRM-KXSOJQAOSA-N 428.576 6.761 30 10 IKEE CC(C)COc1c(Cl)cc(/C=N\Nc2nc(-c3cccs3)cs2)cc1Cl 169943317 WODIHIKTHHVUDE-WNFQYIGGSA-N 426.394 6.659 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)C)cc2)[C@@H]1c1ccc(O)cc1 169957930 CACNIVLLXNBDGH-XMMPIXPASA-N 443.499 5.307 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccc(C(C)C)cc2)c1 169967633 XKJOYTRDWGUUGE-VWLOTQADSA-N 443.518 6.349 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(OC(C)C)cc1 169979129 ATMTVPPKSULFHW-HSZRJFAPSA-N 435.520 5.003 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(Cl)cc1)c1c[nH]c2ccccc12 170056596 FLXJNBHFGYXMLE-OAQYLSRUSA-N 448.931 5.661 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccc(F)cc1)c1c[nH]c2ccccc12 170060856 VHMPINXWIKRSCI-JOCHJYFZSA-N 448.400 5.368 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(C)o2)c1 170099447 NRXDUNJFMNFSPB-QHCPKHFHSA-N 447.487 5.087 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]2c2ccc(C)o2)c1 170101747 ABDWFDDYUNCISM-JOCHJYFZSA-N 435.907 5.950 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(F)cc2)c1 170237266 XYOYCWZEBWYPLK-OAQYLSRUSA-N 437.492 5.064 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1)c1ccc2ccccc2c1 170238667 MOUHRQOIDDNPNY-DEOSSOPVSA-N 441.433 5.901 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(F)cc2)cc1Cl 170242267 UTBLBIXEFXSQPK-OAQYLSRUSA-N 443.902 5.399 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@H]1c1ccc(C(C)C)cc1 170245461 CQTIDEQJOFNYEE-RUZDIDTESA-N 449.591 6.239 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1sccc1C 170318745 KIQCMEXEUYASHV-FQEVSTJZSA-N 427.566 5.470 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(C(F)(F)F)cc2)c1 170344950 HQGBWOGWTQYUPV-IBGZPJMESA-N 443.446 5.858 30 10 IKEE N#CC[C@@H](Nc1ccc(Br)c(I)c1)c1ccccc1 394050811 PFFOWNNEHYIASO-OAHLLOKOSA-N 427.083 5.121 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(/C=C/C(=O)c2c(Cl)cccc2Br)cc1 405982217 NYMQTCOMHDBJTQ-FMIVXFBMSA-N 436.733 6.346 30 10 IKEE CCCCCCCC[C@H](NC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 406765307 RPWYPEQIGDMPCJ-SFHVURJKSA-N 427.427 6.807 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Br)ccc1C)NCCC 407531422 QTOBTMZFSOUDPB-RBUKOAKNSA-N 425.411 5.138 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(OCC)cc2)cc1 526603816 PAEGKWZXJSVNPU-VWLOTQADSA-N 440.499 5.413 30 10 IKEE FC(F)(F)c1ccc(/C=N\n2cnnc2SCc2ccc(Cl)c(Cl)c2)cc1 526813194 YSOWZJYYQPORNQ-GYRAYZOKSA-N 431.270 5.778 30 10 IKEE CCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1/N=C\c1ccc(C(C)C)cc1 526830591 OUNAPPIAJZAVOD-OYKKKHCWSA-N 440.569 5.298 30 10 IKEE N#Cc1ccc(COCC2CCN(C(=O)c3cc(Br)ccc3Cl)CC2)cc1 585222327 YETVEZXTUSAEOU-UHFFFAOYSA-N 447.760 5.043 30 10 IKEE N#Cc1ccccc1NC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 586744471 WDUAEBBBASGISM-UHFFFAOYSA-N 426.479 6.088 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@H](C#N)c1ccc(F)c(Br)c1 698956951 LPYTZCMIBGFJCE-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 724070739 VPOUTXDWOXYGDW-OSPHWJPCSA-N 445.560 5.024 30 10 IKEE Cc1cccc(C)c1NC(=S)/C(=C(/O)c1ccc(C#N)cc1)[n+]1cccc(O)c1Cl 762436697 DWKSYTLIMUZWRZ-UHFFFAOYSA-O 436.944 5.145 30 10 IKEE Cc1ccc(C(=O)CSc2n[nH]c(NN=Cc3cccc(Oc4ccccc4)c3)n2)cc1 1084151091 MBDOAZSGNJDIQF-UHFFFAOYSA-N 443.532 5.326 30 10 IKEE Cc1ccc(-c2cc(N=Cc3ccc(OCc4ccccc4)cc3)n(-c3ccccc3)n2)cc1 1084426413 RLUDAWKMALBLKA-UHFFFAOYSA-N 443.550 7.177 30 10 IKEE O=C(O)c1ccc(/C=C2\SC(=Nc3cccnc3Cl)N(c3ccccc3)C2=O)cc1 1772733047 JGSLHNNLEZYSFN-OQYABBNDSA-N 435.892 5.242 30 10 IKEE Cc1cccc(N=C2S/C(=C/c3ccc(Br)o3)C(=O)N2C2CCCCC2)n1 1772739093 UWJBQAYNGSGJHB-PSZZWWBBSA-N 446.370 5.682 30 10 IKEE Cc1ccc(-c2csc3nc(-c4cccc(C)c4)n(Cc4cccc(C#N)c4)c(=O)c23)cc1 1857803556 YSLAFHKFATWEIY-UHFFFAOYSA-N 447.563 6.329 30 10 IKEE N#Cc1ccccc1NC(=O)c1nn(-c2ccccc2)c(-c2ccc(Cl)cc2)c1Cl 1859387681 BTBSHWJQSWQBLH-UHFFFAOYSA-N 433.298 5.970 30 10 IKEE CCCCCCCCCCNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 1859672308 ZQQCULGARWMRJV-UHFFFAOYSA-N 425.400 6.838 30 10 IKEE C=CCN(C(=O)c1ccc(OCc2ccccc2)cc1)[C@@H]1CCN(Cc2ccccc2)C1 1860030260 ITBWXUOJTRVVEN-AREMUKBSSA-N 426.560 5.168 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)c1cccc(Br)c1 1861333923 QGBZHWGHZOQPTM-QFIPXVFZSA-N 439.438 5.605 30 10 IKEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)[C@@H](C)Oc1ccccc1C(C)C 1861648003 ZASKBSPDJXHOFK-OAQYLSRUSA-N 432.649 5.729 30 10 IKEE CCCCCCCCNC(=O)[C@H](NC(=O)c1cccc(OCC(C)C)c1)c1ccccc1 1861757399 FGHQUHOZBBELPD-RUZDIDTESA-N 438.612 5.669 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1cccc(C)c1 1862400355 BTDQGRNUYSXBIY-RCZVLFRGSA-N 449.591 6.249 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2c(Cl)cccc2Cl)cc1C 1862406768 XPRFWTSUVLPWKB-IBGZPJMESA-N 432.303 5.051 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccc(C)cc2)c1 1862431348 FPTWDNNFFIMPSR-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862432178 YDDUWXUYPWQNNB-QMHKHESXSA-N 447.918 5.688 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccccc2C)cc1 1862442469 JHRJLCVOVYQBLT-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862445504 XGJJKYGDWGGZLN-HSZRJFAPSA-N 431.919 5.681 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccccc1Cl)c1cccc(Cl)c1 1862446085 KWOCVAJTACRAHO-OAQYLSRUSA-N 444.358 6.295 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(C(C)(C)C)cc1 1862461542 HSBBMAOASSFMIP-FQEVSTJZSA-N 431.454 5.390 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1ccc(C)cc1 1862514191 FTXTZDKSIKVAOV-DEOSSOPVSA-N 435.564 5.942 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862560460 IAXRVCGCVAKQDF-AVRWGWEMSA-N 440.543 5.732 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1ccccc1F 1862570895 FGPCJDFUTHBENS-QFIPXVFZSA-N 441.499 5.002 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2F)cc1 1862615997 NYDICYDBUMPVPA-XMMPIXPASA-N 443.518 5.902 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1cccc(Cl)c1 1862618060 OEUXVHBVPHTPLY-JOCHJYFZSA-N 439.983 6.406 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc2cc[nH]c2c1 1862650941 HHTWHMUULUTJBD-VWLOTQADSA-N 438.527 6.090 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1 1862675272 GMIBUDQDSDSNJG-NRFANRHFSA-N 445.918 5.264 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cccc2ccccc12)c1ccc(F)cc1 1862677894 LKANDTBFPKTQMV-DEOSSOPVSA-N 429.491 5.890 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccccc1F 1862687014 FHIFJOGPJJTCKT-FDDCHVKYSA-N 439.527 5.772 30 10 IKEE Cc1cc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1F 1863088563 KEYGALMFIJDWAT-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2CC)[C@@H]1c1ccccc1 1863989228 BTBCKDIPBNXXHF-NRFANRHFSA-N 438.616 5.027 30 10 IKEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CCC)[C@H]1c1ccccc1C 1864997862 JIXRLSKZNNYXSB-JOCHJYFZSA-N 438.616 5.081 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(/C=C/C(N)=O)cn1 1866032525 OSYUHLXJAXTOSI-CZIZESTLSA-N 429.649 6.780 30 10 IKEE C/C(=C\c1ccccc1Cl)C(=O)N[C@@H](C(=O)Nc1ccc(C#N)cc1)c1ccccc1 1866819770 MCAKFXGDTLPPHQ-CZTSOZTGSA-N 429.907 5.111 30 10 IKEE CCCCCCCOc1cn(CCCCc2ccccc2)c(CN2CCOCC2)cc1=O 1870413211 VWSGXBCQVTUBNM-UHFFFAOYSA-N 440.628 5.053 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(OC)cc2)c(CN2CCCCCC2)cc1=O 1870414566 RDGFSWDQFHQGRL-UHFFFAOYSA-N 440.628 5.630 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCC(C)C)c(=O)cc1CN1CCC[C@H](C)C1 1870423592 DECNXMULCOXPNN-QFIPXVFZSA-N 448.648 5.019 30 10 IKEE CCCCCCCCN=c1[nH]c(Nc2ccc(OCC)c(OCC)c2)ncc1[N+](=O)[O-] 1871306050 WSLNSSPFCAQAHC-UHFFFAOYSA-N 431.537 5.120 30 10 IKEE CCCCC[C@@H](CC)N1COc2ccc3c(c2C1)O/C(=C\c1ccccc1OCC)C3=O 1871347821 XYJSZUCIXNVUOP-WYRWUVFZSA-N 435.564 6.212 30 10 IKEE CCCCCCN1COc2ccc3c(c2C1)O/C(=C\c1c(Cl)cccc1Cl)C3=O 1871351957 JOBYIIRDRXILDP-MTJSOVHGSA-N 432.347 6.342 30 10 IKEE COc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN([C@H]3CCCC[C@H]3C)C4)C2=O)cc1OC 1871355672 GDWZXYZRAFXVGS-JNHGPDQRSA-N 449.547 5.359 30 10 IKEE Cc1c(C(=O)Oc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cccc1[N+](=O)[O-] 1871372440 RJPLYHRHJZQNJJ-LUIQNUNFSA-N 427.412 5.295 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OC(=O)c3ccc(C(F)(F)F)cc3)c2C)C1=O 1871376185 XVFLZSKTOIZISJ-BKUYFWCQSA-N 438.401 6.158 30 10 IKEE COc1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(OC)c2)C3=O)cc1 1871376926 LRASJRGKOIEKMY-USQUCKOTSA-N 442.467 5.247 30 10 IKEE CCCCC1CCC(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(C)c2)C3=O)CC1 1871383584 TWHJVCKCOQQEMP-XYGWBWBKSA-N 432.560 6.822 30 10 IKEE O=C1/C(=C/c2ccc(F)cc2)Oc2c1ccc(O)c2CN(C1CCCCC1)C1CCCCC1 1871393152 QLNFGKRIPNRQQW-ONUIUJJFSA-N 449.566 6.615 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2Cl)Oc2c1ccc(O)c2CN1CCCC[C@H]1CCO 1871396294 ZIUNSPDLCVRGKR-SJJOQSKNSA-N 448.346 5.052 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccccc2F)C3=O)cc1 1871407072 MAQHDZKUDWHDNU-ZGWJWYQGSA-N 447.462 5.165 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccccc4OC)ccc3C2=O)cc1 1871412440 RRFFQIKOOYULJO-WZJLVRHISA-N 443.499 5.280 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccccc2C)C3=O)c(C)c1 1871414967 YTACEFFANOTUBA-FXONECCMSA-N 441.527 5.942 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)c1 1871454790 YDSYFMSUDGIOQC-FMCGGJTJSA-N 433.891 5.591 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1ccco1)C2=O)Nc1cccc(Cl)c1Cl 1871458295 UWITUPYWODRKSG-ZDLGFXPLSA-N 430.243 5.220 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1ccc(C)cc1 1872089676 VCXSKZQRQZWCCO-DEOSSOPVSA-N 442.625 5.322 30 10 IKEE COc1ccc(OC)c(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)c1 1872760282 LCRGLZFZPCINKZ-XBFAEUMISA-N 440.524 5.870 30 10 IKEE COc1cccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3C(=O)c3ccccc3)n2)c1 1872762409 LTUVBTXSCFIOQQ-QFIPXVFZSA-N 438.508 5.540 30 10 IKEE N#C[C@@H](C(=O)CCCOc1ccccc1Cl)c1nc(-c2ccccc2Cl)cs1 1872764543 PNSPYYFVFSRHQO-HNNXBMFYSA-N 431.344 6.152 30 10 IKEE COc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3cccc4ccccc34)cs2)cc1OC 1872775358 OQJQBSLIRQIAFJ-XMZCSZCVSA-N 440.524 5.870 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)c2ccc(Cl)nc2)n1 1872777710 UFAHNUSTZNSXHY-MRXNPFEDSA-N 425.941 5.655 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@@H](C#N)C(=O)/C=C/c2ccc(F)cc2)n1 1872786906 VWKLQKWVMMEPBO-JZLODUJNSA-N 426.900 5.809 30 10 IKEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)Nc3ccc(OCC)cc3)cc2[nH]1 1872807279 ZXAFPMYVKVLLFX-UHFFFAOYSA-N 443.503 5.358 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H]2CCCC[C@@H]2C)=C(c2cccc3ccccc23)C1=O 1873027097 QSVRXYMOIQLZKC-SQJMNOBHSA-N 446.635 6.449 30 10 IKEE N#Cc1nc(-c2cccs2)oc1N/N=C/c1ccc(OCc2ccccc2Cl)cc1 1873462150 QSVZFPICVFQOKG-DHRITJCHSA-N 434.908 5.953 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(CC)cc1)n2C 1873629001 FLLGWIUUTILVNP-UHFFFAOYSA-N 435.616 6.336 30 10 IKEE CCCCCCCCNC(=O)CCCC(=O)N1CCC(c2noc3cc(F)ccc23)CC1 1873891658 JFLZOEDVFYQQJJ-UHFFFAOYSA-N 445.579 5.320 30 10 IKEE CCCOc1cccc(/C=N/n2c(CCc3ccc(Cl)cc3)nnc2SCC)c1 1874282840 BLTPOEUDMBAQIF-LFVJCYFKSA-N 428.989 5.500 30 10 IKEE C(=N/n1c(CCCOc2ccccc2)nnc1SCc1ccccc1)\c1ccccc1 1874315638 BZKUYWFBOQYQKK-LGUFXXKBSA-N 428.561 5.464 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874329698 AEZQKTSGCWGLCH-OGLMXYFKSA-N 446.664 6.528 30 10 IKEE CCSc1nnc(COCc2ccccc2)n1/N=C/c1c(OC)ccc2ccccc12 1874353551 OZQVLFQPIWBZGE-MFKUBSTISA-N 432.549 5.151 30 10 IKEE O=[N+]([O-])c1cccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2Cl)c1 1874367009 GANPCMDTIIRCDX-ZVHZXABRSA-N 449.923 5.681 30 10 IKEE CCCSc1nnc(CC2CCCCC2)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874408606 FZSXLUSORDRTIO-LFVJCYFKSA-N 430.618 5.581 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CCCC2)cc1 1874455678 FOSDJFQQYLRITR-MFKUBSTISA-N 425.001 6.326 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(OCC)cc1 1874479864 WBBVZRMCZMCNGW-BUVRLJJBSA-N 428.989 5.847 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CC2)c1 1874523575 WGVLFSPNVPERKM-AUEPDCJTSA-N 433.364 5.651 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1cccc(Br)c1 1874527369 LFOIONNGNBQZME-SRZZPIQSSA-N 435.778 5.431 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2ccccc2CC)cc1 1874572608 WUOVFCBSYMCBJW-ISLYRVAYSA-N 443.543 5.734 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCc2ccccc2)cc1OC 1874572930 MKSGOULJRORSAC-PKNBQFBNSA-N 438.907 5.841 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2cccc(Cl)c2)cc1 1874579922 OURRNRVIHCSDNL-NTCAYCPXSA-N 436.935 6.613 30 10 IKEE Cc1cccc(NC(=O)COc2cccc(/C=C/C(=O)c3ccc(-c4ccccc4)cc3)c2)c1 1874592957 KSOHXMGSCBVTOW-QGOAFFKASA-N 447.534 6.576 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OCC(=O)Nc1ccccc1F 1874600553 RTAMEODMHYHMNW-PKNBQFBNSA-N 447.506 5.673 30 10 IKEE CCOc1c(OC)ccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)c1Br 1874601117 VCYCKBIWABGKRO-FMIVXFBMSA-N 441.321 5.914 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1Cl 1874610492 VZORBNFTEQYOGS-ZRDIBKRKSA-N 429.944 5.272 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1 1874615253 OAUYIYSQAGYCLY-VIZOYTHASA-N 447.487 5.867 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 1874619668 LZBBEIPGOSCCMG-CSKARUKUSA-N 427.327 6.786 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(C)cc1 1874633035 IZNJKVRRUZWQLP-ACCUITESSA-N 434.963 7.139 30 10 IKEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2[N+](=O)[O-])o1 1874633275 UUCKAIYMPDIIFY-WEVVVXLNSA-N 435.432 5.066 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3)c([N+](=O)[O-])c2)c(C)c1 1874634971 BUPJSHRZCVBESO-PKNBQFBNSA-N 444.487 5.434 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc2ccccc2c1 1874693428 FHXWOCFLIBIPPX-MDWZMJQESA-N 447.317 7.262 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(Br)cc3)c2)c1 1874697367 UCAGHKHJRSVBJK-IZZDOVSWSA-N 435.317 6.181 30 10 IKEE O=C(Oc1cccc(/C=C/C(=O)c2ccc(F)cc2F)c1)c1ccc(-c2ccccc2)cc1 1874700005 WXMCBZVLTYUGBX-CXUHLZMHSA-N 440.445 6.747 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2cccc(/C=C/C(=O)c3cc(C)ccc3C)c2)c1 1874703169 BZKLZQQFYBDHGI-CCEZHUSRSA-N 428.528 6.273 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCc3ccc(Cl)cc3)c2)cc1F 1874707087 NRHPAHYTTPWMIW-KPKJPENVSA-N 438.882 5.922 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccccc3F)c2)cc1C 1874717661 HSSPUTIZBBPMMQ-PKNBQFBNSA-N 434.463 5.575 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)cc2Cl)cc1 1875096817 GNFHZTRZBVLPCV-GXDHUFHOSA-N 444.958 6.571 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc([N+](=O)[O-])c1OC(=O)C(C)(C)C 1875103218 ORIZKKWIFXLGKC-JLHYYAGUSA-N 425.481 5.404 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1 1875104155 JEEOSIPHGINVEX-LFYBBSHMSA-N 429.274 6.177 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)cc3)c(OC)c2)cc1C 1875108759 FBWUDQXPVOGGJB-FMIVXFBMSA-N 430.500 5.365 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Br)c1OC(=O)C1CC1 1875110254 BVNVWYWEIKBBRE-JXMROGBWSA-N 449.728 5.713 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CSc3ccccc3)c(OC)c2)cc1 1875115319 YBFVJBRQJOESCQ-RIYZIHGNSA-N 434.513 5.298 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1OC 1875132037 BZUBDJYYGAEKNZ-XYOKQWHBSA-N 435.347 6.774 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2Cl)cc1 1875133090 DRRYIGMYEPDXTI-VGOFMYFVSA-N 434.919 6.091 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2OC)c1 1875134433 SGSJFLTVHRQQRU-JLHYYAGUSA-N 430.500 5.826 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)c1cccs1 1875140898 DJEGVZUTFAZSHH-VMPITWQZSA-N 430.884 5.973 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC3CCCCC3)c(Cl)c2)c(C)c1C 1875167900 PMXFAHYUPUWVFT-FMIVXFBMSA-N 440.967 6.737 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)c(Cl)c2)cc1C 1875175269 HKHGAOSQUVEYGW-QPJJXVBHSA-N 448.990 6.975 30 10 IKEE O=C(Nc1cc(C(F)(F)F)ccc1F)c1ccc(C(F)(F)F)cc1Br 1889902569 BZQYRSDXKDIDHO-UHFFFAOYSA-N 430.117 5.878 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C)([C@@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)C1 1992797961 RYWAUIUSEFXWKP-VGOFRKELSA-N 435.590 5.024 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@@](C)(C#N)[C@@]1(C)CCN1C(=O)OC(C)(C)C 1999897940 QXIJICRKMKQWCL-PKTZIBPZSA-N 433.524 5.249 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@H]1c2ccsc2CCN1C(=O)OC(C)(C)C 2018277889 JEUDUNFFCKONKW-PKTZIBPZSA-N 442.625 5.334 30 10 IKEE COc1cc(C(=O)C(=Cc2sccc2C)c2nc3ccccc3[nH]2)cc(OC)c1OC 2040457818 AHSBXKMJQWJRAZ-UHFFFAOYSA-N 434.517 5.382 30 10 IKEE C=CC1(C[C@H](NCC)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)CCC1 2049041884 XYIAFCKUEZVHBL-WNCULLNHSA-N 442.644 5.555 30 10 IKEE COCCCN1C(=O)C(=Cc2cccc(F)c2)SC1=Nc1ccc(OC)c(Cl)c1 2053624241 DDVLEDHVUAGQDR-UHFFFAOYSA-N 434.920 5.128 30 10 IKEE CC(C)(C)OC(=O)NC1CC2(CC[C@]2(C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 2064202761 KZKMEJGQIBLPCX-QJDQLVHXSA-N 447.620 5.676 30 10 IKEE C=CC1(C[C@H](NC)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCC1 2071357677 RHOQFMCLOJAERQ-SANMLTNESA-N 427.588 6.852 30 10 IKEE Fc1ccc(C(F)(F)F)c(Cn2nc(C3CC3)c(Br)c2C(F)(F)F)c1 2079021807 ADNUZXCFCZOUJD-UHFFFAOYSA-N 431.149 5.748 30 10 IKEE Cc1ccc([C@@H](C(C)C)n2nc(C(F)F)c(C#N)c2I)c(C)c1 2079092364 DUVRQQZKLNXIKZ-OAHLLOKOSA-N 429.252 5.159 30 10 IKEE Cc1ccc([C@@H](C(C)C)n2nc(C3(C)CC3)c(C=NO)c2Br)c(F)c1F 2079934330 SWDAGSVMNJCQSX-MRXNPFEDSA-N 426.305 5.337 30 10 IKEE Oc1c2c(nc3c(-c4c(F)c(F)c(F)c(F)c4F)c(C(F)(F)F)nn13)CCCCC2 2081547054 UZNWAIZNLBCWDO-UHFFFAOYSA-N 437.290 5.085 30 10 IKEE C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNc2ccc(C#N)cc2Br)cc1 2162315909 BXFQLCCHFZBYSW-AWEZNQCLSA-N 430.346 5.519 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCCC)c2ccc(Br)c(C)n2)C1 2183012029 WNENJKKDBJLLBI-GOSISDBHSA-N 438.410 5.054 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)CCC12CC2 2214705736 AUKLQEWSLGFXEF-QHCPKHFHSA-N 447.601 5.311 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1sc(C)c(C)c1Br 2221829826 GGCJLYUWOYJAHO-GDBMZVCRSA-N 431.440 5.638 30 10 IKEE C=CCCC1([C@@H](N)c2c(C)sc(C)c2Br)CN(C(=O)OC(C)(C)C)C1 2254995599 BZFKYPKWUZGPLS-INIZCTEOSA-N 429.424 5.331 30 10 IKEE C=C1C[C@@H]1C[C@H](OCCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2276382127 WWSWZIFCVFKBAG-IAPPQJPRSA-N 443.587 6.217 30 10 IKEE C=CCCCCCC[C@H](N)[C@@](C)(O)c1cc(Br)c(Br)s1 2281229925 CTOUTLHLJSVLSD-SWLSCSKDSA-N 425.230 5.335 30 10 IKEE Cc1ccc(C(=O)Nc2cccc(OCc3ccccc3)c2)cc1B1OC(C)(C)C(C)(C)O1 2282684376 PWFIGRCNNZDNQW-UHFFFAOYSA-N 443.352 5.126 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(CC[C@H](O)C#Cc2ccc(Br)cc2)cc1 2296284326 PRDDCPFMBLXFSR-HXUWFJFHSA-N 430.342 5.141 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]([C@@H](C)CC)N(C)C(=O)OC(C)(C)C 2296289322 QJXOOKIQQAEGNF-DBVUQKKJSA-N 437.422 5.060 30 10 IKEE CN1C(=C2SC(=Nc3ccc(Cl)cc3)N(c3ccccc3)C2=O)Sc2ccccc21 2297550090 RKJDOQDQMIXLQJ-UHFFFAOYSA-N 449.988 6.519 30 10 IKEE CCCCCCCCCCOc1ccc(C=C2N[C@H](c3ccc(Cl)cc3)OC2=O)cc1 2313513711 QMSCVJKPRCHJJC-VWLOTQADSA-N 441.999 7.046 30 10 IKEE CN[C@@H](C#Cc1ccc(C(F)F)nc1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2317954189 ZGZNIVRUPUFSSQ-OAQYLSRUSA-N 443.538 5.176 30 10 IKEE COc1ccc(C=NNc2oc([C@@H]3C[C@H]3c3ccccc3)nc2C#N)cc1Br 2320837422 VDWGDEHUZKLPGV-JKSUJKDBSA-N 437.297 5.034 30 10 IKEE C[C@@H]1[C@@H](C)[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)CCN1C(=O)OC(C)(C)C 2321344374 JVMAUDNQUWHNSJ-HOZJOUCCSA-N 447.551 5.495 30 10 IKEE Cc1cc(OCc2ccccc2F)cc2c1C(=O)C(=Cc1ccccc1Br)O2 2321794251 XETQDBXCFNNEII-UHFFFAOYSA-N 439.280 6.092 30 10 IKEE O=C1C(=Cc2ccccc2F)Oc2cc(OCc3cc(Cl)cc4c3OCOC4)ccc21 2321876629 YXIBIYWRDCNCEN-UHFFFAOYSA-N 438.838 5.541 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)O3)CN(Cc1ccccc1F)CO2 2322056876 GYULSDMEZHVNJV-UHFFFAOYSA-N 446.434 5.011 30 10 IKEE CC(C)c1ccc(C=CC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1 2322145850 KCROWHCVBADOED-UHFFFAOYSA-N 432.523 7.261 30 10 IKEE O=C1C(=Cc2cccc([N+](=O)[O-])c2)Oc2c1ccc1c2CN(C2CCCCCCC2)CO1 2322177564 JRTQKNZZAGOJMC-UHFFFAOYSA-N 434.492 5.476 30 10 IKEE Cc1ccc(CCN2COc3cc(C)c4c(c3C2)OC(=Cc2sccc2C)C4=O)cc1 2322223657 NBCNPVIEXFHIFZ-UHFFFAOYSA-N 431.557 5.684 30 10 IKEE COc1cccc(C=C2Oc3c(cc4c(c3C)OCN([C@@H]3CCCC[C@H]3C)C4)C2=O)c1OC 2322391665 ORGKQXNMWKEVLL-IIBYNOLFSA-N 449.547 5.359 30 10 IKEE CCOc1c(C=CC(=O)c2cccc(Br)c2)cc(Br)cc1OC 2322464782 JLTYTKVDMKMESC-UHFFFAOYSA-N 440.131 5.515 30 10 IKEE O=C(C=Cc1cc(Br)ccc1OCc1ccc(F)cc1)c1ccc(Cl)cc1 2322528412 VWXIAJZYIOBIBB-UHFFFAOYSA-N 445.715 6.717 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Br)cc(Br)c2OC)cc1 2322549900 SRSDVAAKNZBNMJ-UHFFFAOYSA-N 440.131 5.515 30 10 IKEE Cc1cccc(COc2ccc(Br)cc2C=CC(=O)c2cc(C)ccc2C)c1 2322615709 NLMPNBSVBFMLKK-UHFFFAOYSA-N 435.361 6.849 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(F)c(C)c2)c1OCc1c(Cl)cccc1Cl 2322638129 XGLLVFXUJQHTLU-UHFFFAOYSA-N 445.317 6.925 30 10 IKEE Cc1c(OC(=O)c2cccs2)ccc2c1OC(=Cc1ccccc1Br)C2=O 2322667632 OOHFGGWRIYNLRE-UHFFFAOYSA-N 441.302 5.654 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccc(F)cc2)cc1 2322681146 FMHXVVAZBAMVGG-UHFFFAOYSA-N 431.507 6.037 30 10 IKEE COC(=O)c1ccc(C=C2Oc3cc(OC(=O)c4cccc(Cl)c4)cc(C)c3C2=O)cc1 2322916025 YGVIEDUODRVQDK-UHFFFAOYSA-N 448.858 5.270 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2ccccc2C)c(C)c1 2322948944 ACHLQBVOIUSKHF-UHFFFAOYSA-N 447.962 6.487 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2cccc(C)c2C)cc1Cl 2322974888 HXVOTZTVDGZJFX-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCc1ccc(NC(=O)COc2ccccc2C=CC(=O)c2cc(Cl)ccc2OC)cc1 2323022292 QZDMOOLLNJLCTE-UHFFFAOYSA-N 449.934 5.825 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2Cl)cc1OCC(=O)Nc1cccc(C)c1C 2323087653 PFUQCZVJMPBJJE-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OCc3ccccc3C)c(Br)c2)c1 2323489718 ANSQMUJOCJVJHD-UHFFFAOYSA-N 437.333 6.241 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)c4ccc(OC)cc4OC)ccc3C2=O)cc1 2323767973 VCLDJZORQMZRSZ-UHFFFAOYSA-N 430.456 5.102 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccccc2)C3=O)cc1Cl 2324353547 BRPVLDNWDGQCPL-KRWDZBQOSA-N 447.918 5.979 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2OCC)o1 2324455384 CJIWWVNPTUJCML-UHFFFAOYSA-N 448.515 5.947 30 10 IKEE COc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1 2324840872 OTGMPSVTJKMTFS-QFIPXVFZSA-N 440.524 5.870 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCCOc4ccccc4F)cc(C)c3C2=O)cc1 2324857873 URRBPNLKHONBSJ-UHFFFAOYSA-N 434.463 5.607 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(Cl)cc2F)cc2c1C(=O)C(=Cc1ccco1)O2 2325490372 HCYJPGTWHYOVCK-UHFFFAOYSA-N 427.815 5.014 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4c(C)cccc4C)cc(C)c3C2=O)cc1 2325501172 TZVBAIPLHPEOLG-UHFFFAOYSA-N 441.527 5.808 30 10 IKEE CC(=O)c1ccccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccc(C)cc1)C2=O 2325571901 OOUCIGWUDCHVDH-UHFFFAOYSA-N 441.483 5.140 30 10 IKEE CC(C)Oc1ccc(C=Nn2cnnc2SCc2ccccc2F)cc1Br 2326256484 NQJQLFWWJBOKOJ-UHFFFAOYSA-N 449.349 5.141 30 10 IKEE CCCOc1ccc(C=Nn2c(CC)nnc2SCc2ccc(Cl)cc2)cc1OC 2326350624 VVMKGHHHFIHZAO-UHFFFAOYSA-N 444.988 5.466 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1c(C)[nH]c2ccccc12 2326364569 UCIJSLXFOXISGD-UHFFFAOYSA-N 438.000 6.238 30 10 IKEE CCSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1cccc2ccccc12 2326380149 VQKRPMZBBNMJQL-UHFFFAOYSA-N 444.604 6.054 30 10 IKEE CCCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1cn(C)c2ccccc12 2327300347 BGJWPSYEXMEIJC-UHFFFAOYSA-N 447.608 5.658 30 10 IKEE Cc1ccccc1C=Nn1c(CCc2ccccc2C)nnc1SCc1ccccc1C 2329468434 VLCJGZOUVJNAKB-UHFFFAOYSA-N 440.616 6.163 30 10 IKEE CCSc1nnc(CCc2ccccc2C)n1N=Cc1cc(Br)ccc1F 2329480930 ZWIDYNSXPMMHFD-UHFFFAOYSA-N 447.377 5.268 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCC)nnc2[C@H](C)c2ccccc2)cc1OC 2330090167 KKYGLDQQOSXEJX-GOSISDBHSA-N 438.597 5.612 30 10 IKEE CCCSc1nnc(Cc2cccs2)n1N=Cc1ccc(OCC)c(OCC)c1 2330416682 USUNOYGMSLSJMR-UHFFFAOYSA-N 430.599 5.112 30 10 IKEE COc1cccc(C=Nn2c(SCc3cccc(C)c3)nnc2-c2cccs2)c1O 2330549396 XFCBBLCGSLLCFQ-UHFFFAOYSA-N 436.562 5.204 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl 2330627508 LRICRDIOZVEFAF-UHFFFAOYSA-N 443.927 6.800 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CC(C)(C)C)nnc1SCc1cccc(C)c1 2330821921 CBAXXXJEEJRJSD-UHFFFAOYSA-N 434.609 5.914 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3C)c(OCC)c2)cc1 2330842402 FKPMIAMGKQHLPO-UHFFFAOYSA-N 442.555 6.852 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccs2)c(Cl)c1)c1ccc(Br)cc1 2330887108 BYAIZTQYAKCCMQ-UHFFFAOYSA-N 447.737 6.279 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1 2331084555 BDWYADFZTNONND-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE Oc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C2CCCC2)cc1 2331103630 JQSBWVXUZBYEKD-UHFFFAOYSA-N 430.936 5.608 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)C(C)C)c(OCC)c2)cc1 2331306329 XGHBWNAOWUPZPR-UHFFFAOYSA-N 430.928 5.985 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC(=O)CCCSC 2331373268 SWHVXWGJECJNJS-UHFFFAOYSA-N 428.550 5.347 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccncc3)c([N+](=O)[O-])c2)cc1 2331417403 MLLHNLUBWUTVAE-UHFFFAOYSA-N 430.460 5.403 30 10 IKEE Cc1cccc(CSc2nnc(CC(C)C)n2N=Cc2c(Cl)cccc2Cl)c1 2331440476 XRBRIWSTUUYWRE-UHFFFAOYSA-N 433.408 6.266 30 10 IKEE CCOc1ccc(C=Nn2c(CC(C)C)nnc2SCc2ccccc2Cl)cc1 2331456791 GYHHHWDNYFVQNL-UHFFFAOYSA-N 428.989 5.703 30 10 IKEE CCc1ccc(C=Nn2c(CC(C)C)nnc2SCc2ccc(Cl)cc2Cl)cc1 2331471795 HKUGANDHYZKVOH-UHFFFAOYSA-N 447.435 6.520 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OC(=O)c1ccncc1 2331552505 OFTKVJYZQSFEMG-UHFFFAOYSA-N 445.515 5.512 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(Cl)c2)cc(OC)c1OC(=O)C(C)(C)C 2331834895 UVUIKUFVZDLKQU-UHFFFAOYSA-N 442.939 5.933 30 10 IKEE CCN[C@@H](C#Cc1cccs1)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2338326591 NAKLOVZMFDAJQJ-KRWDZBQOSA-N 435.387 5.560 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C/c1ccc(-c3ccccc3)cc1)C2=O 2400837 SGHBHSOFWHMQRA-WPWMEQJKSA-N 432.475 6.497 30 10 IKEE Cc1ccc(-n2c(=S)sc3c(=O)n(-c4ccccc4)c(SCC#N)nc32)c(C)c1 3026851 HNAXKLMPXXODFX-UHFFFAOYSA-N 436.587 5.200 30 10 IKEE CCCCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C)cc1)C1=C(CC(C)(C)CC1=O)N2 9608867 SFNQSRDYNIYEOC-LJQANCHMSA-N 437.609 5.561 30 10 IKEE COc1ccc([C@H]2C(C(=O)Nc3ccccc3F)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 10013759 WYWCKUXRFSLLDC-QHCPKHFHSA-N 434.511 5.077 30 10 IKEE Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3F)C(C#N)(C#N)[C@H]3c4ccccc4C=CN23)cc1 17467123 LATHMBIBTZXTOU-CMTIAEDTSA-N 433.486 5.544 30 10 IKEE CC(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@@H]3c2cccs2)cc1 19630320 KQHDPXTYVWFADI-AFMDSPMNSA-N 439.584 6.637 30 10 IKEE Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C(C)(C)C)cc2)C3)o1 21222464 PTAGWKPJONMWIU-PPHZAIPVSA-N 426.560 6.865 30 10 IKEE CSc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(Cl)c(Cl)c2)C3)cc1 21242576 LDOUGHSRJBQYAX-GDBMZVCRSA-N 432.372 5.720 30 10 IKEE C=CCNC(=O)N(Cc1cccc(C)c1)c1ccc(CC(=O)N[C@@H](C)c2ccccc2)cc1 34680145 SKKPBGOIJDORAO-QFIPXVFZSA-N 441.575 5.317 30 10 IKEE C=CCc1ccc(OCCCn2c(CCCCCNC(C)=O)nc3ccccc32)c(OC)c1 35146575 YKLKAKVAZJFNBZ-UHFFFAOYSA-N 449.595 5.091 30 10 IKEE O=C1N/C(=N/c2ccc(Br)cc2)S[C@H]1Cc1cc(Cl)cc(Cl)c1 39847280 IVDKQHCEZJRFDT-AWEZNQCLSA-N 430.154 5.218 30 10 IKEE Cc1cc(O[C@H](C)C(=O)Nc2sc(=S)c3c(c2C#N)CC[C@H](C)C3)cc(C)c1Cl 41017729 JVDKELVWOVCLHU-SMDDNHRTSA-N 447.025 6.150 30 10 IKEE Cc1ccc(CSc2nnc(N/N=C/c3ccc(OCc4ccccc4)cc3)[nH]2)cc1 59309659 FHORGZHJEFXUJV-MFKUBSTISA-N 429.549 5.430 30 10 IKEE CN(C)c1ccc(/C=C/c2ccc3ccccc3[n+]2CC(=O)c2ccc([N+](=O)[O-])cc2)cc1 59489138 VVBQHMAYFWQGHO-UHFFFAOYSA-N 438.507 5.155 30 10 IKEE C=C(C)COc1ccc2ccccc2c1[C@@H]1Nc2ccccc2C(=O)N1CCc1ccccc1 66133059 YDULCCBVKWTKHF-GDLZYMKVSA-N 448.566 6.604 30 10 IKEE CCOc1ccccc1/N=C1/SC[C@@H](C)N1C(=O)C1c2ccccc2Oc2ccccc21 96585789 MTQXMUIZZNAIMP-LDJRNAMNSA-N 444.556 5.975 30 10 IKEE CCCCCCCOc1cccc(NCC(=O)Nc2ccccc2OCCOCC)c1 100090069 UGJLNOUVJCTDFK-UHFFFAOYSA-N 428.573 5.502 30 10 IKEE CCCCCCCOc1cccc(NC(=S)NC(=O)c2ccc(OCCCC)cc2)c1 100246695 GZTSCIWWWOPCIZ-UHFFFAOYSA-N 442.625 6.342 30 10 IKEE COC(=O)C1=C(C)N(c2ccc(C)cc2)/C(=C\c2ccc(OCc3ccccc3)cc2)C1=O 100275059 DPFPZCVCEARJKA-UQQQWYQISA-N 439.511 5.451 30 10 IKEE O=C1/C(=C\c2cccc(Br)c2)Oc2cc(OC/C=C\c3ccccc3)ccc21 102729749 ZAALHXJBDMNOMY-NXEALZQXSA-N 433.301 6.158 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccc(OC)cc2)cc1 169924280 VJNVRQDIYZSFCV-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCN1C(=S)N[C@@H](c2ccc(OCc3ccc(Cl)cc3)cc2)C2=C1CCCC2=O 169932938 UQVWKOQEFYLVCL-QFIPXVFZSA-N 426.969 5.177 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(Oc3ccccc3C)cc2)NC(=S)N1C 169934765 WFJCDRHDLSKMFW-XMMPIXPASA-N 428.557 5.805 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3ccc(C)cc3)cs2)cc(Cl)c1OCC(C)C 169940765 UJUSDSUHGRJWLM-ROTLSHHCSA-N 444.000 6.651 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@H]1c1ccc(O)cc1 169960612 VYVIFFGZNIQCFX-DEOSSOPVSA-N 443.499 5.109 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(OC(C)C)c2)c1 169981475 AWNXAISCYCKVTK-HSZRJFAPSA-N 435.520 5.003 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccs2)cc1 169985142 CMKWHHJPZIXBJG-QFIPXVFZSA-N 449.528 5.247 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@H]2c2ccccn2)c(C)c1 169996296 BNZHBISYSTYAGM-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2ccc(F)cc2)cc1C 170064262 NLHYGWKIWBSLNA-JOCHJYFZSA-N 437.417 5.504 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1c[nH]c2ccccc12 170074193 VXQQBOIZCQVAIY-VWLOTQADSA-N 440.474 5.409 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccc(C)c2)c1 170142880 PBTJTQXBTFMIAW-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1cccs1 170155304 MIRFFSAKAVZYGQ-HXUWFJFHSA-N 437.492 5.296 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccncc2)c1 170199900 RPWHYBOPBHJDJD-QHCPKHFHSA-N 446.478 5.038 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@H]1c1ccccc1 170225687 FZPJMSQPSIBCLO-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccccc2)c1 170225747 WYOLXVUWPLFGRU-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2ccccc2)cc1 170265458 RQMOSIRZGPUBIW-AREMUKBSSA-N 433.507 6.185 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2Cc2ccncc2)o1 170307976 NLTMWMZRNNRDAA-HSZRJFAPSA-N 444.531 5.367 30 10 IKEE CSc1ccc(/C=C\C(=O)c2ccc(C(=O)/C=C/c3ccc(SC)cc3)cc2)cc1 195798190 JKKRFIORCCRLMO-ZZDPWUPLSA-N 430.594 6.923 30 10 IKEE N#C[C@H](C(=O)c1cc(Br)c(Br)s1)c1cccc(Cl)c1F 213780170 JWTUJBJHQYVODV-ZETCQYMHSA-N 437.515 5.556 30 10 IKEE CN1C/C(=C/c2ccccc2C(F)(F)F)C(=O)/C(=C/c2ccccc2C(F)(F)F)C1 220631835 GIGPCIPTGZBQOB-VRNBXGKJSA-N 425.372 5.706 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c(OC)ccc3ccccc13)N2 226860817 QKJBRMGKWPBSME-KQZWIPHESA-N 441.615 8.024 30 10 IKEE CC(C)(CSc1c(F)c(F)cc(F)c1F)C(=O)NCc1cccc(C(F)(F)F)c1 248162582 MMCOIRKQKPQPBP-UHFFFAOYSA-N 439.396 5.697 30 10 IKEE COc1c(Cl)cc(Cl)cc1C=NNc1nc(-c2cc3ccccc3oc2=O)cs1 252624376 PMVJDQLSLSKLIK-UHFFFAOYSA-N 446.315 5.678 30 10 IKEE CCOc1ccc2nc(Sc3ccc(C=Nc4ccc5ccccc5c4)o3)sc2c1 252639017 YHHSGWMOWZTUTC-UHFFFAOYSA-N 430.554 7.343 30 10 IKEE C=CCn1c(SCc2nnc(-c3ccccc3)o2)nnc1-c1ccc2ccccc2c1 253566892 JMUASKAMTVVMGF-UHFFFAOYSA-N 425.517 5.627 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 526486025 HSUYTYLMBKPHDM-XMMPIXPASA-N 444.918 6.058 30 10 IKEE CCN(CC)c1ccc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526518175 XBWSSUWWNRTDJY-QHCPKHFHSA-N 429.545 5.523 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(Cl)cc2)c(OC)c1 526607678 SUTNABRFLHPURJ-HSZRJFAPSA-N 446.890 5.286 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1cc(OC)ccc1OC 526809032 FWUNCOUAEIQQKT-MYYYXRDXSA-N 438.597 5.429 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(CCCC#N)c2ccc(OC)cc2OC)cc1 586230326 FQODKYYBNWDBDE-UHFFFAOYSA-N 444.597 5.326 30 10 IKEE CCCCCCCC(=O)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 708517291 SJUPOKJQOJMQMT-GOSISDBHSA-N 426.395 5.815 30 10 IKEE CCCCCCC[C@H](O)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 708578072 FMGAFFNLTXEZOB-MOPGFXCFSA-N 428.411 5.606 30 10 IKEE C=C1CCC(C[C@H](NCC)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 724570401 QZWVOZLDBCEMFB-ZEQRLZLVSA-N 429.649 5.126 30 10 IKEE COC(=O)C(=NNc1ccccc1Cl)Sc1nc2ccccc2n1-c1ccccc1 1083873428 UWFZTBUZUDGTOR-UHFFFAOYSA-N 436.924 5.370 30 10 IKEE Brc1ccc(COc2ccc(C=NNc3nc4ccccc4s3)cc2)cc1 1084327939 BSBOXZDQMDRFCE-UHFFFAOYSA-N 438.350 6.084 30 10 IKEE COC(=O)C(=NNc1ccccc1)Sc1ncc(-c2ccccc2)n1-c1ccccc1 1084593734 KSBDHCPLHSUSBM-UHFFFAOYSA-N 428.517 5.230 30 10 IKEE CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)O[C@H](C#N)C=C(c1ccccc1)c1ccccc1 1088677685 FSFJZCNFYYQYLV-DWLFOUALSA-N 426.343 6.145 30 10 IKEE Oc1ccc(N/C(=N/CC2CCCCC2)NCc2cc(Br)ccc2F)cc1 1088684373 RSSFVLKGEWRRIQ-UHFFFAOYSA-N 434.353 5.432 30 10 IKEE Cc1nnc(N=C2S/C(=C/C(Cl)=C\c3ccccc3)C(=O)N2c2ccccc2)s1 1772735822 GPKSXRUIGUZCNT-ZXIWAFQJSA-N 438.965 5.778 30 10 IKEE CCCCCC(=O)O[C@]1(C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1=O 1848437168 LJTKGGCWHLHRCD-JXSQGHHDSA-N 428.613 5.970 30 10 IKEE Cc1nc(SCC(=O)Nc2cccc(C#N)c2)nc(O)c1-c1ccc(Cl)c(Cl)c1 1858517704 OUNTYTDSAUPFEV-UHFFFAOYSA-N 445.331 5.067 30 10 IKEE CC(C)(C)c1ccc(Cn2nc(C(=O)Nc3ccccc3C#N)cc2-c2cccs2)cc1 1859410493 LXHISOJPAPGOCB-UHFFFAOYSA-N 440.572 6.081 30 10 IKEE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(OCc2ccccc2C#N)c1 1860118280 CHFSIMUSVANXNR-OAHLLOKOSA-N 441.314 5.850 30 10 IKEE C=CCN(CC=C)C(=O)Cc1c(C)c2cc3c(-c4ccc(Cl)cc4)coc3cc2oc1=O 1860275209 ANUSQYKUPQNMGC-UHFFFAOYSA-N 447.918 5.911 30 10 IKEE CCOc1ccc(/C=C/C(=O)Nc2cc(NC(=O)c3cccc(C#N)c3)ccc2Cl)cc1 1860461724 NZZRSKWBZJRWOC-MDWZMJQESA-N 445.906 5.515 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)c1c(C)ccc2ccccc12 1860987591 WITRELOFIYZHCS-VWLOTQADSA-N 438.656 6.694 30 10 IKEE CCCCCCCCNC(=O)[C@H](NC(=O)Cc1ccc(OCCC)c(C)c1)[C@@H](C)CC 1860988762 WVEKBVHIKYFDKQ-NBGIEHNGSA-N 432.649 5.334 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1C(F)(F)F 1861047665 LDWBWZQMDCFQJJ-FQEVSTJZSA-N 426.523 5.567 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cccc(F)c1 1861380789 XNLUZJNYVNMQSP-XMMPIXPASA-N 444.566 5.563 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2Cl)cc1C 1862402849 IQXZEDUWJSIDFY-OAQYLSRUSA-N 437.879 5.029 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1ccccc1)c1ccccc1Cl 1862429423 MOPKGZXFVPZQDF-QFIPXVFZSA-N 435.882 5.300 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc(Br)c1 1862438486 BSSYSHQMDYFQEM-SGTLLEGYSA-N 448.744 5.479 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2ccc(C)cc2)cc1 1862475007 AWCDIWNLMKPWLU-QHCPKHFHSA-N 431.919 5.735 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(N(CC)CC)cc1 1862509594 MDVIAMUFDLSFFC-GAJHUEQPSA-N 438.543 5.357 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1cccc2ccccc12 1862644090 CCNRXRCNKBMAMM-NPMXOYFQSA-N 433.479 5.364 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2c(Cl)cccc2Cl)cc1 1862668362 XHBQHYDDHHZHEN-FQEVSTJZSA-N 430.331 5.858 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccccc1C 1862687281 IPSPQSFQALMQHL-DEOSSOPVSA-N 435.564 5.942 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1cccc(F)c1)c1ccc2ccccc2c1 1862714719 FTEPVZRAGASUGJ-DEOSSOPVSA-N 438.458 5.152 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc4ccccc4c3)C2=O)cc1 1862890136 UUJDFJLNQCXWDB-UHFFFAOYSA-N 429.479 5.417 30 10 IKEE Cc1cc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(F)c(Cl)c3)C2=O)ccc1F 1863086182 JSBZDFPNPMSJPN-UHFFFAOYSA-N 449.844 5.195 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(C)c(C)c3)C2=O)c1 1863253622 QORVPFSZUQFVCT-UHFFFAOYSA-N 435.527 5.184 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCCCO)=C(c2cc(C)ccc2C)C1=O 1863740080 KLVARLXFIDTRGL-UHFFFAOYSA-N 442.644 5.276 30 10 IKEE CC(C)(C)c1nc(Nc2ccccc2C#N)cc(N2CCO[C@H](c3cccc(Cl)c3)C2)n1 1868351549 YJRSRYYRAGSLLP-NRFANRHFSA-N 447.970 5.621 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)[C@H](c1ccc(OC)cc1)C1CCCC1)c1ccccc1 1868884070 CNYPCDNQRIZQDX-UIOOFZCWSA-N 446.591 5.027 30 10 IKEE CC(C)c1ccc(Cn2nnc(C#N)c2NC(=O)CCCOc2ccccc2C(C)C)cc1 1870111333 JCMFOIRTVORSKC-UHFFFAOYSA-N 445.567 5.243 30 10 IKEE C=CCn1cc(OCCCCC)c(=O)cc1CSc1nc2ccccc2n1CCC 1870187789 FXYMHFRQCUBYHD-UHFFFAOYSA-N 425.598 5.655 30 10 IKEE C=CCOc1cn(C[C@H](O)c2ccc(Cl)cc2)c(CSc2ccc(C)cc2)cc1=O 1870245735 BXEXATSVHDCDJA-QHCPKHFHSA-N 441.980 5.401 30 10 IKEE Cc1cccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2Cc2ccccc2)c1 1871251948 DJGJQDVTPMGGDW-UHFFFAOYSA-N 435.527 5.268 30 10 IKEE CCCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1cccc(OC)c1 1871252569 IGGLMFIAZWWLOM-UHFFFAOYSA-N 445.563 5.500 30 10 IKEE Cc1cc(C)cc(OCCN2COc3c(cc4c(c3C)O/C(=C\c3ccc(C)o3)C4=O)C2)c1 1871355825 YIQBUSHBMGVLMU-CFRMEGHHSA-N 445.515 5.360 30 10 IKEE Cc1cc(OC(=O)c2ccc(Cl)c(Cl)c2)cc2c1C(=O)/C(=C/c1cccs1)O2 1871372373 NYQHLHLHSQPOFZ-ZDLGFXPLSA-N 431.296 6.199 30 10 IKEE Cc1cc(OC(=O)Cc2ccccc2[N+](=O)[O-])cc2c1C(=O)/C(=C/c1ccccc1Cl)O2 1871374313 CXPRDODSFFDTJB-NHDPSOOVSA-N 449.846 5.321 30 10 IKEE Cc1cc(OC(=O)c2cccc(OC(=O)C(C)C)c2)cc2c1C(=O)/C(=C/c1cccs1)O2 1871390468 YABDXHJKOTUZEG-BKUYFWCQSA-N 448.496 5.453 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OCCCCOc4ccccc4C)c3C)C2=O)cc1 1871404375 KNVAUGROQRZHKA-ITYLOYPMSA-N 444.527 6.166 30 10 IKEE Cc1cccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2cccc(F)c2)C3=O)c1C 1871458991 KFXDUPOGZBAXPB-FMCGGJTJSA-N 431.463 5.385 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(OCC)cc2)[nH]c(N(C)CCCC)n1 1871529630 FQXXFKMKKNGJQC-UHFFFAOYSA-N 428.625 5.445 30 10 IKEE C=CCN([C@@H](C(=O)Nc1cc(Cl)ccc1C)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872464830 ANBRDJKRPHLQSW-VGOFRKELSA-N 449.016 5.187 30 10 IKEE CCc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1 1872761438 NHYRWCPTBGFKFW-MTNREXPMSA-N 443.572 5.158 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1C 1872765786 WXGCUHIFEAWTIE-OAHLLOKOSA-N 427.869 5.179 30 10 IKEE CCc1cccc(CC)c1N1C[C@H](C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)CC1=O 1872768087 JBQTZIVGJLVOQB-NHCUHLMSSA-N 443.572 5.164 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@@H](C#N)C(=O)c2ccc(-n3cccc3)cc2)n1 1872786188 DRLJRIAZMKTTGO-IBGZPJMESA-N 447.947 6.061 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)C23CC4CC(CC(C4)C2)C3)n1 1872786350 HWOJTNCLGDHYSE-NFQTVLRUSA-N 440.996 6.173 30 10 IKEE CCCCCCCCNC(=O)c1ccc2nc(CCCOc3ccc(CC)cc3)[nH]c2c1 1872808441 ZYKURKKEYJGNMX-UHFFFAOYSA-N 435.612 6.227 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2)C(=O)N(C2CCCCCCC2)C1=O 1873159206 JOTVKFCYVYMECQ-UHFFFAOYSA-N 438.656 6.610 30 10 IKEE C=CCN(CC=C)c1nc(Nc2ccccc2[C@H](C)CC)c2cnn(-c3ccccc3)c2n1 1873481668 JQYDKKFJOKXHIU-HXUWFJFHSA-N 438.579 6.251 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccccc1O 1874216311 PREZQSMLZTYGNQ-ZVHZXABRSA-N 442.972 5.199 30 10 IKEE C=C(C)CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1cccc(O)c1 1874217445 LLZOPXVRFQRFMX-BHGWPJFGSA-N 442.972 5.383 30 10 IKEE CCCCOc1ccc(/C=N/n2c(COc3ccccc3OCC)nnc2SC)cc1 1874239306 AGFABRKKEUBUCE-LFVJCYFKSA-N 440.569 5.039 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccccc1OC 1874265297 QWRVCUKKFQRCIJ-FSJBWODESA-N 428.945 5.070 30 10 IKEE COc1ccccc1CCc1nnc(SCCc2ccccc2)n1/N=C/c1cccs1 1874314465 VOFWFHDDTQQELZ-XIEYBQDHSA-N 448.617 5.350 30 10 IKEE C=C(C)CSc1nnc(COc2cccc(C)c2C)n1/N=C/c1ccc(Cl)cc1 1874323430 OYWULQMALZGVOU-WYMPLXKRSA-N 426.973 5.678 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1ccc(F)cc1F 1874327416 MTDNJKYZXXFKEL-OPEKNORGSA-N 428.508 5.303 30 10 IKEE CCSc1nnc(CCc2cccs2)n1/N=C/c1cc(Br)ccc1F 1874370691 MQVVUOSAIWKTAI-RGVLZGJSSA-N 439.379 5.021 30 10 IKEE Cc1ccc(C)c(CSc2nnc(COc3ccccc3)n2/N=C/c2cccnc2)c1 1874384569 WULWRVLKOWVBGW-CVKSISIWSA-N 429.549 5.043 30 10 IKEE C(=N/n1c(CCc2ccccc2)nnc1SCc1cccc2ccccc12)\c1ccco1 1874404929 WWKPBZIDZFQGOV-OVVQPSECSA-N 438.556 5.984 30 10 IKEE Cn1cccc1/C=N/n1c(CC(C)(C)C)nnc1SCc1c(Cl)cccc1Cl 1874440086 IHFQTYALVCWWNW-FSJBWODESA-N 436.412 5.687 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2[C@@H]2CCCO2)cc1 1874441608 DLIRJBYWVAHUGK-LWROZRRASA-N 436.581 5.401 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCc3ccccc3)nnc2C(F)(F)F)cc1 1874459865 CJPLKYPSDINLCI-AFUMVMLFSA-N 434.487 5.650 30 10 IKEE CCSc1nnc(-c2ccco2)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874464826 DUFCTZNKGQMZNQ-ZVHZXABRSA-N 438.940 5.765 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1cccc2ccccc12 1874476383 MPYGWQSGCDSHJL-WPWMEQJKSA-N 428.605 6.565 30 10 IKEE CSc1nnc(C(C)(C)C)n1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1874480896 NJTWOARDOINSOI-WGOQTCKBSA-N 430.577 5.912 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2C(C)(C)C)cc1OC 1874482604 IIEGZCRUSOIGIB-AFUMVMLFSA-N 442.560 5.297 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccccc1OCC(=O)OCC(C)C 1874586657 XWKFJWKUDVMUQD-CMDGGOBGSA-N 437.319 5.476 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC)c(OCCC)c2Br)cc1 1874593392 HPSDCMCJIYVGKF-WYMLVPIESA-N 431.370 6.485 30 10 IKEE CCCNC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(CC)cc2)cc1OCC 1874605029 OJIRWOQCCVJMFS-FMIVXFBMSA-N 429.944 5.102 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(OC)c1OCc1cccc(C)c1 1874606142 YIMBGJHGTZMAOT-BUHFOSPRSA-N 428.528 6.216 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1cc(C)cc(C)c1 1874614156 HZLLVFNJMDUANU-ONNFQVAWSA-N 449.934 5.879 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1 1874623704 QULQSSHUVYQRDH-KNTRCKAVSA-N 435.523 6.316 30 10 IKEE O=C(/C=C/c1ccc(OCc2c(F)cccc2Cl)cc1)c1cc(Cl)ccc1Cl 1874637907 YHXMUCADAJXIIN-IZZDOVSWSA-N 435.709 7.261 30 10 IKEE CCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(CC)CCCC 1874645216 VWXONECWFSTDQV-DEOSSOPVSA-N 427.633 5.594 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)CSc3ccccc3)c2)cc1OC 1874694201 QYEZGHJUZSNWTE-ACCUITESSA-N 434.513 5.298 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2cc(Cl)ccc2Cl)c1)c1cccc(Cl)c1 1874699443 VODGHBDRJKVDMW-JXMROGBWSA-N 431.702 6.762 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1cccc(/C=C/C(=O)c2ccc(Cl)cc2)c1 1874700650 FCVBJXPIXHTUKL-LFIBNONCSA-N 434.919 6.309 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OC(=O)c1cc2ccccc2n1C 1874703623 YJFVPICLPHNUJK-ACCUITESSA-N 439.511 5.919 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(Cl)cc3)c2)c(OC)c1 1874714212 JQUQXBKFSMLKQM-MDWZMJQESA-N 436.891 5.401 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cccc(OC(=O)CCc2ccccc2)c1 1874715400 RKKYAFFJXOKUPW-ACCUITESSA-N 434.919 6.091 30 10 IKEE COc1cccc(C(=O)Oc2cc(/C=C/C(=O)c3c(C)cc(C)cc3C)ccc2OC)c1 1874716335 NJAYMVBUEBWIIX-PKNBQFBNSA-N 430.500 5.744 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cccs3)c2)cc1Cl 1874717017 VIUBBAFGABXJFJ-VMPITWQZSA-N 428.893 5.534 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)CC1CCCCC1 1875094474 UPQIYQIACMIMHZ-ACCUITESSA-N 437.492 5.765 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc4ccccc4c3)cc2)c1 1875096261 FKJCWCBZBFMHCM-GZTJUZNOSA-N 436.507 6.283 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(Cl)c1OC(=O)C1CCCC1 1875101308 SJYDSHOELWOFTR-VAWYXSNFSA-N 428.912 5.739 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(C)c3)c(Cl)c2)cc1 1875106711 HSJLVVBCOUHYEG-RVDMUPIBSA-N 432.947 7.106 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC(=O)Cc1ccc(F)cc1 1875125006 MIDHBFIROGEQQZ-VZUCSPMQSA-N 440.417 5.547 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1 1875141108 OBTRORMSRKHODF-XNTDXEJSSA-N 434.463 5.413 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1F 1875152771 ROSSPKQBVNDAMD-RVDMUPIBSA-N 426.443 6.103 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)c1ccc(F)cc1 1875175377 MEIHICNZNNFEPU-WUXMJOGZSA-N 434.463 5.575 30 10 IKEE CC(C)(C)CC(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] 1875189413 PBSDGASRJJQUSV-XBXARRHUSA-N 436.291 6.139 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)C(C)(C)C)c(Cl)c2)c(OC)c1OC 1875194707 UOKRJBNVNNXEMH-JXMROGBWSA-N 432.900 5.213 30 10 IKEE C=CCN(CC=C)C(=O)c1cc2c(NCCCCc3ccccc3)ncnc2n1CCC 1875204824 GDLLYAKIVDSLSP-UHFFFAOYSA-N 431.584 5.090 30 10 IKEE CCCC[Sn](CCCC)(CCCC)c1cccc(C#N)c1Cl 1880853242 HNTAOWSZMITJSG-UHFFFAOYSA-N 426.620 6.268 30 10 IKEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C2CCN(C(=O)OCc3ccccc3)CC2)cc1 1892358572 MOYPMFDEDRSZHD-WMPKNSHKSA-N 444.575 5.526 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@@H](CNC(=O)OC(C)(C)C)C1CCC1)NCCC 1922066716 WAXAVLZBGWYPLI-BJKOFHAPSA-N 430.633 5.459 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@]1(C#N)C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 1946007031 LFGMPFFASFNYMV-GQEURGSBSA-N 437.609 5.575 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@](CC)(NC(=O)OC(C)(C)C)C(F)(F)F 1950500447 CNXISVQJFASSBE-DENIHFKCSA-N 444.538 5.363 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@H](C#N)[C@]1(C)CCCN1C(=O)OC(C)(C)C 1991926740 NPHCNZXGWOIDBS-JTSKRJEESA-N 435.590 5.167 30 10 IKEE CC#CCC[C@@H](NCCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997458656 OCZAMFWLCCRIEU-ZEQKJWHPSA-N 428.617 5.002 30 10 IKEE CC(C)[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)CN1Cc1ccccc1 2029763795 NNUUOOMSDVBAKO-OZXSUGGESA-N 437.559 5.760 30 10 IKEE CC1(C)C[C@H]([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)N(C(=O)OC(C)(C)C)C1 2033721712 AAEAGXNEOGWXDH-MOPGFXCFSA-N 447.551 5.495 30 10 IKEE N#CCCCCCCCCCCCCNC(=O)OCC1c2ccccc2-c2ccccc21 2060432434 BHEOOPWSQPLCBN-UHFFFAOYSA-N 432.608 7.340 30 10 IKEE CCc1nn([C@H](c2ccc(C3CCC3)cc2)C(C)(C)C)c(I)c1C#N 2079906919 VJCDNUVYQPOSTB-LJQANCHMSA-N 447.364 5.825 30 10 IKEE CC(C)c1ccc([C@H](C2CC2)n2nc(C(F)F)c(C#N)c2I)cc1 2079998672 BKXAPHUGOFDBPK-MRXNPFEDSA-N 441.263 5.420 30 10 IKEE CCCOc1ccc([C@H](C2CC2)n2nc(C(F)F)c(C=NO)c2Br)cc1 2080086549 DCTHFRWHQVOBAE-INIZCTEOSA-N 428.277 5.180 30 10 IKEE N#Cc1c(C(F)(F)F)nn(Cc2ccc(C(F)(F)F)c(Cl)c2)c1Br 2080327102 YWSJJIQHCMIKDY-UHFFFAOYSA-N 432.549 5.257 30 10 IKEE CCCN[C@@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)CC1(C)CC1 2086577800 ARPIHLNWIQNVAM-NDEPHWFRSA-N 432.656 5.073 30 10 IKEE C[C@@H](C1CC1)N(Cc1ccccc1)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1C(F)(F)F 2116145956 SEAYWVMOUJRFJK-INIZCTEOSA-N 446.322 5.205 30 10 IKEE C=CCN(CC[C@@H](NCC)c1c(Cl)ccc(Br)c1F)C(=O)OC(C)(C)C 2122139254 QXCFZXRLPOWZFH-OAHLLOKOSA-N 449.792 5.705 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@](C)(C#N)C1C[C@@H]2[C@@H](C1)C2(C)C 2149725789 ASFHYKZOHLEIHC-JBYIUTFZSA-N 433.390 6.155 30 10 IKEE CCC1(OC)CCC(C#N)(N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)CC1 2161440084 KGAQRINENVVBOU-UHFFFAOYSA-N 437.378 5.822 30 10 IKEE CO[C@H]1CC(F)(F)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2162038128 YOOVZKNRUOSCES-YJBOKZPZSA-N 445.304 5.287 30 10 IKEE CO[C@H]1CC(C)(C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2162039046 OAGCLKMNHFYVRM-UWJYYQICSA-N 437.378 5.678 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@H]2Nc2cc(Br)cc(C#N)c2)C1 2162311476 WRBLMKFWJPXAGH-NQIIRXRSSA-N 434.378 5.302 30 10 IKEE N#Cc1c(F)cc(Br)cc1NC[C@@]12CCC[C@H]1CCN2Cc1ccccc1 2197379124 YAWRWTIARLULNN-JTSKRJEESA-N 428.349 5.317 30 10 IKEE CCCC#CC[C@H](NCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2203808164 TWHWHBGKCCUOLZ-VQTJNVASSA-N 437.422 5.057 30 10 IKEE CCCCCCC[C@@H](O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229115776 YTCLUYXUOZIHMK-RBUKOAKNSA-N 428.411 5.606 30 10 IKEE C=C1CCC(C[C@H](N)[C@H](Cc2ccc(Br)cc2)NC(=O)OC(C)(C)C)CC1 2237406292 BPACRGXVRRTMEV-PMACEKPBSA-N 437.422 5.349 30 10 IKEE C=CCOCOc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C(=O)O)c1 2243585952 JAXAHLXRNPLCLQ-UHFFFAOYSA-N 445.471 5.285 30 10 IKEE C=CC[C@@H](C)Oc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C(=O)O)c1 2243586901 XTZFNPKDYPPOTA-QGZVFWFLSA-N 443.499 6.089 30 10 IKEE CCCN[C@@H](CC=CC#CC(C)(C)C)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 2248481985 SKOPKTJIXQALEP-DEOSSOPVSA-N 426.645 6.178 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]1(C)CN(C(=O)OC(C)(C)C)CC1(F)F 2252929751 VGNGVHJPTBRYBU-NFBKMPQASA-N 438.559 5.020 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCC(=O)O)c1cccc(Br)c1Cl 2262199242 GVGSZRVCARNFPO-LJQANCHMSA-N 425.706 5.018 30 10 IKEE C=CCN1C(=O)C(=Cc2cc(Cl)c(OCc3ccccc3F)c(OC)c2)SC1=S 2293104189 SDJHHVOKJHTZSI-UHFFFAOYSA-N 449.956 5.454 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@H](NC(=O)OC(C)(C)C)[C@H](C)CC 2296217103 QQEGIMCYZMXPJE-NSISKUIASA-N 437.422 5.108 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)C(C)(C)[C@@H](CC)NC(=O)OC(C)(C)C 2296296860 SKQOTVGXPAITOB-MOPGFXCFSA-N 437.422 5.108 30 10 IKEE CCCOc1ccc(C(=O)C(=Cc2ccc(OC)cc2OC)c2nc3ccccc3o2)cc1 2296695653 MJVGCASUFYZVOJ-UHFFFAOYSA-N 443.499 6.057 30 10 IKEE O=C(C=Cc1ccccc1)Oc1ccc2c(c1)OC(=Cc1c(Cl)cccc1Cl)C2=O 2296867268 FYNBSVPJWWVETR-UHFFFAOYSA-N 437.278 6.228 30 10 IKEE CCN=C1SC(=Cc2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)C(=O)N1CC 2297459966 JFBIQWUQAAUWBX-UHFFFAOYSA-N 428.863 5.931 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@H](C#N)[C@]1(C)CCCCN1C(=O)OC(C)(C)C 2302616858 BQTVACORAQIQCJ-MBSDFSHPSA-N 449.617 5.557 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@@H]2C[C@H]1C[C@H]2NC(=O)OC(C)(C)C 2308987621 XYKMGLHAKOKUNN-VVMIZEJSSA-N 441.572 5.322 30 10 IKEE Cc1occc1C(=O)Nc1cccc(C(=O)C=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 2314523282 PINMZORGXTZJFH-UHFFFAOYSA-N 442.427 5.905 30 10 IKEE CCCSc1nnc(C(C)C)n1N=Cc1cccc(OCc2ccccc2Cl)c1 2321828846 GZPBZJDWMXFGSM-UHFFFAOYSA-N 428.989 6.018 30 10 IKEE Sc1nnc(CCc2ccccc2)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2321900058 PGYLLCAOAKPSGX-UHFFFAOYSA-N 448.979 5.467 30 10 IKEE O=C1C(=CC=Cc2ccccc2)Oc2c1ccc1c2CN(CCc2ccc(F)cc2)CO1 2321936903 CWGZPOLZIAYNHP-UHFFFAOYSA-N 427.475 5.393 30 10 IKEE CC(C)CCN1COc2ccc3c(c2C1)OC(=Cc1cccc(Br)c1)C3=O 2322235067 VBLCEMHZWNMUSQ-UHFFFAOYSA-N 428.326 5.263 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc2c(c1C)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2322684220 PCWUSFDIOMHDBT-UHFFFAOYSA-N 439.294 6.446 30 10 IKEE O=C(C=Cc1ccccc1OCc1c(F)cccc1Cl)c1cc(Cl)ccc1Cl 2322999151 UCEHTRPFMJBKOX-UHFFFAOYSA-N 435.709 7.261 30 10 IKEE O=C(COc1ccccc1C=CC(=O)c1cc(Cl)ccc1Cl)Nc1ccccc1 2322999465 OEVKUZNJFCSRKP-UHFFFAOYSA-N 426.299 5.907 30 10 IKEE Cc1cc(OC(=O)c2ccc(F)c(F)c2F)cc2c1C(=O)C(=Cc1ccccc1Cl)O2 2323126836 IRNAJRIBXBGFPA-UHFFFAOYSA-N 444.792 5.901 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc3C2=O)cc1 2323231792 OHAQVEWNCUEKJL-UHFFFAOYSA-N 449.846 5.646 30 10 IKEE Cc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)cc1C 2323248321 BAKIKYAIUWLCQV-UHFFFAOYSA-N 429.428 5.355 30 10 IKEE C=C(C)CN(Cc1ccccc1)[C@@](C)(C(=O)O)c1ccc(CNC(=O)OC(C)(C)C)cc1 2323305396 PCMOELVGZFYMCU-AREMUKBSSA-N 438.568 5.089 30 10 IKEE CCCCCCCOc1ccccc1C=NNS(=O)(=O)c1ccc(OC(C)C)cc1 2323417126 MSUXXSGDBOTSQU-UHFFFAOYSA-N 432.586 5.135 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1cc(C)cc(C)c1 2323802795 OBSJYYNIGBXEOV-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCCOc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(F)cc2)C3=O)c1 2323831787 DKOHUTUTYFBJLF-UHFFFAOYSA-N 432.447 5.758 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(OC)c2)C3=O)c1 2323854273 CNFJTARSBSRYJD-UHFFFAOYSA-N 428.440 5.095 30 10 IKEE CCCNC(=O)COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1Cl 2323882088 AOJJGRHXAKOEEV-UHFFFAOYSA-N 426.727 5.448 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OCc1c(F)cccc1Cl 2323896493 MCNDJZZCPVZQBX-UHFFFAOYSA-N 440.898 6.280 30 10 IKEE Cc1cc(O)c(CN2CCc3ccccc3C2)c2c1C(=O)C(=Cc1ccc(Cl)cc1)O2 2324115854 JAAPEFQBGNMBRT-UHFFFAOYSA-N 431.919 5.529 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1 2324475258 NLELDZGOJZOAOI-MRXNPFEDSA-N 431.463 5.410 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3)n2N=Cc2cccc(F)c2)c1 2325489325 LSPIKESNHVEKRP-UHFFFAOYSA-N 430.552 5.799 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(CC)cc1 2325536047 MEBZZDOMZGBZDF-UHFFFAOYSA-N 430.980 6.150 30 10 IKEE Cc1cc(OCC(=O)NCc2ccco2)cc2c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O2 2325565231 XBZBWGZGJCABMC-UHFFFAOYSA-N 445.515 5.197 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4C(C)=O)ccc3C2=O)cc1 2325566650 HHHJDUYHGLPVLK-UHFFFAOYSA-N 441.483 5.085 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2Cl)cc1OC(=O)c1ccc(F)c(F)c1 2325717120 YYZKVWBAANDRSL-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OC(=O)c1[nH]c2ccc(C)cc2c1C 2325737831 QXGCKMRCJGEXIV-UHFFFAOYSA-N 439.511 6.217 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2cccc(C=CC(=O)c3cc(C)ccc3OC)c2)c1 2325743325 PJCUMPPBQVOZOO-UHFFFAOYSA-N 446.499 5.065 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC(=O)c2ccccc2C)c1 2325752675 FATPFYFPNKQJBJ-UHFFFAOYSA-N 428.528 6.416 30 10 IKEE CCc1ccc(C(=O)Oc2cc(C=CC(=O)c3cc(C)cc(C)c3OC)ccc2OC)cc1 2325757302 BWYXLGMTPBOJHF-UHFFFAOYSA-N 444.527 5.998 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC(=O)c2cccc(Cl)c2)c1 2325765906 KQTFURRZZQKBQD-UHFFFAOYSA-N 432.947 7.061 30 10 IKEE CCCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccc(C)cc1 2326141970 HYRAZMSDGXAGGV-UHFFFAOYSA-N 428.989 5.820 30 10 IKEE CCCOc1ccc(C=Nn2c(CC)nnc2SCc2ccc(C#N)cc2)cc1OCC 2326661060 JTDFKKGSCDJIKA-UHFFFAOYSA-N 449.580 5.074 30 10 IKEE Cc1cccc(OCc2nnc(SCCc3ccccc3)n2N=Cc2ccc[nH]2)c1C 2328849920 YZTLCPRIAUUDEE-UHFFFAOYSA-N 431.565 5.019 30 10 IKEE Cc1ccc(C=Nn2c(COc3ccccc3)nnc2SCc2cccc(Cl)c2)cc1 2329929664 AWNQRRDHGIHSTJ-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)cc2)n1N=Cc1ccc(N(CC)CC)cc1 2329984775 NZVCHCQLFKETRY-UHFFFAOYSA-N 433.625 5.574 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2-c2cccs2)cc1 2330557383 LFPJLDKXCODAQR-UHFFFAOYSA-N 438.553 5.719 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3ccc(C)c(C)c3)c(OC)c2)cc1 2330742668 QYJZLFLYKXHKBU-UHFFFAOYSA-N 444.527 5.998 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3ccco3)c(OC)c2)cc1 2330825937 HMAXFKJDAPMKNB-UHFFFAOYSA-N 434.488 5.755 30 10 IKEE Cc1ccsc1C=Nn1c(CC(C)(C)C)nnc1SCc1c(F)cccc1Cl 2330881242 BGQUFKBXUTYSFJ-UHFFFAOYSA-N 437.009 6.204 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2cccc(C)c2)cc1 2331045327 BCGCHRBWPXAXFQ-UHFFFAOYSA-N 433.581 5.166 30 10 IKEE Cc1ccc(CSc2nnc(C(F)(F)F)n2N=Cc2c(Cl)cccc2Cl)cc1 2331109047 NCXWSJVTGXWCSS-UHFFFAOYSA-N 445.297 6.087 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1Cl 2331122876 XGCBPCBJWVNPFW-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE O=[N+]([O-])c1cc(C=Nn2c(SCc3ccccc3)nnc2C(F)(F)F)ccc1Cl 2331136331 FSRDUZQIZTUMOQ-UHFFFAOYSA-N 441.822 5.033 30 10 IKEE O=C(CCCOc1ccccc1)Oc1ccc(C=CC(=O)c2ccccc2)cc1[N+](=O)[O-] 2331170215 PSJLTEFCOHDXBK-UHFFFAOYSA-N 431.444 5.256 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3ccccc3Cl)cc2)c(C)c1 2331215995 MCCXROXIAQZIML-UHFFFAOYSA-N 448.946 6.618 30 10 IKEE Cc1ccc(CSc2nnc(C(C)(C)C)n2N=Cc2c(Cl)cccc2Cl)cc1 2331362316 VTAFGAXAPSQDGC-UHFFFAOYSA-N 433.408 6.365 30 10 IKEE Cc1ccc(C=Nn2c(SCC(=O)Nc3ccc(C)cc3C)nnc2C(C)(C)C)cc1 2331416673 ILXUPCMCOPJZKZ-UHFFFAOYSA-N 435.597 5.114 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1 2331489964 OBHQDMKQANQLFW-UHFFFAOYSA-N 446.546 7.592 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)CCc1ccccc1OC 2331535350 OXKSNKOHPVDVFM-UHFFFAOYSA-N 448.490 5.667 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1)c1ccc(F)c(F)c1 2331555178 GUMUWMXMDIYLBR-UHFFFAOYSA-N 443.789 5.642 30 10 IKEE CC(C)c1nnc(SCc2cccc3ccccc23)n1N=Cc1cccc2ccccc12 2331705731 FLVAHAPYHPLLSG-UHFFFAOYSA-N 436.584 6.882 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1[N+](=O)[O-])c1cccnc1 2331860639 PNNZBYOENOWTHU-UHFFFAOYSA-N 443.242 5.412 30 10 IKEE Cc1cc(Br)c(OCCCCC(C)(C)C#N)cc1NC(=O)OC(C)(C)C 2344303392 ODFYFYWPWFGNNP-UHFFFAOYSA-N 425.367 6.203 30 10 IKEE CC(C)[C@@H]1CN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN1Cc1ccccc1 2365109736 GLOZNMUBEOAQMG-ZXYASIKESA-N 447.432 5.073 30 10 IKEE CCCN[C@@H](C#C[C@H]1CC1(F)F)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2366692385 VRSILCCBEMZJTI-BBRMVZONSA-N 443.332 5.495 30 10 IKEE Cc1ccc([C@@H]2CC(=O)C3=C(C2)NC(Nc2nc4ccccc4o2)=N[C@H]3c2ccccc2)cc1 1460152 WPCZZCNSNLXKQG-FNZWTVRRSA-N 448.526 5.649 30 10 IKEE Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2coc3ccccc3c2=O)cc1 21226630 KIRBILXTLUCEEX-WHLCRQNOSA-N 448.522 6.081 30 10 IKEE CCOc1ccc(/N=C2/N=C(O)S/C2=C\c2c[nH]nc2-c2cccc([N+](=O)[O-])c2)cc1 35516501 ALDBHRXMDHKQPK-WQRHYEAKSA-N 435.465 5.116 30 10 IKEE Cc1cccc(/C=C2/Oc3cc(OC(=O)N(c4ccccc4)c4ccccc4)ccc3C2=O)c1 35550395 HBHLUIVDDYORAY-OVVQPSECSA-N 447.490 6.948 30 10 IKEE O=C1/C(=C/c2c(Cl)cccc2Cl)Oc2cc(OCc3c(F)cccc3Cl)ccc21 38320995 ZEHNJXSQLCLKJY-FBHDLOMBSA-N 449.692 6.981 30 10 IKEE Cc1c(/N=N/c2ccccc2C(=O)c2ccccc2)c(O)n(C2CCCC2)c(=O)c1C#N 39871581 QBZOOQGWHZGRRP-BYYHNAKLSA-N 426.476 5.496 30 10 IKEE C=C(C)C(=O)NCCCCCc1nc2ccccc2n1Cc1cccc(Br)c1 40219753 GMZJZRPQJJJNEB-UHFFFAOYSA-N 440.385 5.252 30 10 IKEE Cc1cc(C)c(/C(CSc2nc3ccccc3[nH]2)=N\Nc2cccc([N+](=O)[O-])c2)cc1C 59460564 NQYMSOQDNITYEQ-NFFVHWSESA-N 445.548 6.005 30 10 IKEE CCOc1ccccc1/N=C1/SC[C@H](C)N1C(=O)C1c2ccccc2Oc2ccccc21 96585790 MTQXMUIZZNAIMP-QUNNOBFSSA-N 444.556 5.975 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)CC)cc2)cc1 100300995 ZELXAHUNHZVFQC-UHFFFAOYSA-N 441.597 5.511 30 10 IKEE CCCCCCCc1ccc(-c2ccc(-c3ccc(CCCCCCC)cn3)cc2)nc1 100640664 YVKGLXHIFPHOOC-UHFFFAOYSA-N 428.664 8.836 30 10 IKEE CCCCCCCCCn1c([C@H]2CC(=O)N(c3ccc(OCC)cc3)C2)nc2ccccc21 101263061 HRZHQXDJESDSQT-QFIPXVFZSA-N 447.623 6.706 30 10 IKEE O=C1/C(=C\c2c(F)cccc2Cl)Oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc21 103016952 KSPRSBXIRCWOJQ-SRZZPIQSSA-N 425.799 5.583 30 10 IKEE CCCOc1ccc(/C=N\Nc2nc(-c3ccc(OC)cc3OC)cs2)cc1OCC 169941105 UVOUBMBYTCSYJM-OYKKKHCWSA-N 441.553 5.461 30 10 IKEE CCOc1c(OC)cc(/C=N\Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1[N+](=O)[O-] 169943277 QXOBKCFMZPSKED-JJFYIABZSA-N 426.498 5.188 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@H]1c1ccccc1OC 169943972 KHNYVZGHXRLKBT-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccc(O)cc2)cc1 169959367 KNNULKVNWLPVAR-HSZRJFAPSA-N 431.463 5.185 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2cccc(C)c2)c(C)c1 169971147 QZRGKJRUADKGTB-HSZRJFAPSA-N 449.453 5.373 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(OC(C)C)cc1 169978796 WVNHBBOSDXXOKM-DEOSSOPVSA-N 435.564 5.859 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccs2)cc1Cl 169986618 RDIAVBAPSYCQFP-LJQANCHMSA-N 427.884 5.632 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2cccnc2)ccc1F 170002752 RLVUZLLXZVZCLQ-HSZRJFAPSA-N 430.479 5.435 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccncc2)ccc1F 170016582 LDAYQCQNXQNTTA-QHCPKHFHSA-N 430.479 5.435 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)[C@@H]2c2ccccc2)s1 170053917 JXAZKQIIOJCXTP-OAQYLSRUSA-N 448.544 5.330 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccc(F)cc2)cc1C 170062440 CMHZGTKYOSLYDZ-JOCHJYFZSA-N 446.434 5.134 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1cccc(O)c1)c1ccc(Cl)cc1 170082645 ZANIIJUTWAEEAU-HXUWFJFHSA-N 441.817 5.107 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cc(C)cc(C)c3OC)=C(O)C(=O)N2c2ccccc2)cc1 170113448 ZRGWOQFBVZXTGI-HSZRJFAPSA-N 443.499 5.104 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1ccc(O)cc1 170137523 WZIVLHNCBAOABZ-QHCPKHFHSA-N 437.536 5.256 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@@H]1c1cccc(C)c1 170146653 UZDALMBDEXMIDT-QHCPKHFHSA-N 435.564 5.680 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2OC)[C@@H]1c1ccc(C(C)(C)C)cc1 170149865 YQNQFWXWWPJKGP-QHCPKHFHSA-N 435.564 5.680 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2cccs2)cc1 170157352 SFEVBOKKFJGPIQ-OAQYLSRUSA-N 435.501 5.025 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccccc1)c1cc2cc(Cl)ccc2o1 170230858 FIFJHHWQVASOBE-QFIPXVFZSA-N 444.874 5.260 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(C(C)C)cc2)c1 170246118 FUIOUWPDPDJUBY-XMMPIXPASA-N 449.547 5.348 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1cccc(O)c1)c1cccc2ccccc12 170256836 FBESCUNGXPVQQO-QHCPKHFHSA-N 441.508 5.385 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1Cc1ccccn1 170274384 WQWZVMJLBMCYSV-RUZDIDTESA-N 438.527 5.047 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccco2)c1 170282708 QUAKVHNYFSEMSX-QHCPKHFHSA-N 431.488 5.467 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccco1 170286465 QDHBSDHQXROZCK-IBGZPJMESA-N 444.270 5.378 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccco2)cc1Cl 170286585 BGGRKVOACHXDPF-LJQANCHMSA-N 444.270 5.378 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccco1 170288689 SJOKAOCKSRWWKP-IBGZPJMESA-N 428.271 5.678 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2sccc2C)s1 170314096 VBECKNBBHJXWQK-INIZCTEOSA-N 428.510 5.052 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1sccc1C 170316191 UOKIGAKFIOCTJO-GOSISDBHSA-N 443.908 5.090 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1Cc1ccccn1 170316511 QOQJVGZENJGYQZ-OAQYLSRUSA-N 448.544 5.017 30 10 IKEE Cc1[nH]c2ccccc2c1[C@@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1cccc(Cl)c1 170404776 XSGAUURJYYCFGE-HSZRJFAPSA-N 442.902 5.913 30 10 IKEE CCCCCCCCNc1nc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cs1 257668855 YYZOLQGOJBZLOQ-UHFFFAOYSA-N 449.686 6.147 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2sccc2C)c1 526487700 GBYJWRKEQGOMAR-HSZRJFAPSA-N 444.556 6.164 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccc(O)c2)c1 526516701 RASGFPRWOZKZHB-DEOSSOPVSA-N 426.472 5.110 30 10 IKEE COc1cc([C@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc(Cl)c1O 526521822 OIXUOJAUXOWUJR-QFIPXVFZSA-N 446.890 5.292 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2c[nH]c3ccccc23)cc1 526604788 XHYMCYVJAYGNOG-RUZDIDTESA-N 435.483 5.495 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1cccc(OCC)c1OC 526802776 MMBHWULMNBTGCG-MYYYXRDXSA-N 442.560 5.342 30 10 IKEE CCOc1cc(/C=N\n2c(C)nnc2SCc2ccccc2F)ccc1OC(C)C 526803319 XEHREFCRTFALAV-CFRMEGHHSA-N 428.533 5.086 30 10 IKEE CCOc1c(Cl)cc(/C=N\n2c(C)nnc2SCc2cc(C)ccc2C)cc1Cl 526818552 OKQBYBUOOJHVRU-MYKKPKGFSA-N 449.407 6.083 30 10 IKEE C=CCN(CC=C)C(=O)c1cccc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)c1 586716575 QQKQWFUAXHWFTE-UHFFFAOYSA-N 441.531 5.724 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C#N)c1ccc(Br)c(Br)c1 698399643 PJPPVZZGIKVQMV-XHDPSFHLSA-N 446.183 5.812 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)C1(C#N)CCC(C(F)(F)F)CC1 698489206 OQOQLGJVALMBRP-UHFFFAOYSA-N 447.295 6.205 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C#N)(c1ncc(Br)c3ccsc13)C2 712823936 OZRBCNJACYIWSI-STQMWFEESA-N 448.386 5.382 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(C)ccc(Br)c1F 721195078 RXHACZXPOVIHMW-CRAIPNDOSA-N 429.374 5.407 30 10 IKEE C=CCC1([C@H](Cc2cc(Br)cs2)NCCC)CN(C(=O)OC(C)(C)C)C1 722919985 FYEBVJKBLRIHLV-KRWDZBQOSA-N 443.451 5.235 30 10 IKEE C=C1CCC(C[C@H](NCC)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)CC1 724569387 HWMSKJJQKKROQM-QDSKXPNFSA-N 430.633 5.600 30 10 IKEE CCc1ccc(N=C2S/C(=C/c3cccc(C)c3)C(=O)N2c2ccc(CC)cc2)cc1 1084626078 NOHBORSDOZDUQA-OFGWUVNBSA-N 426.585 6.928 30 10 IKEE C=C1/C(=C/C=C2\CCC[C@]3(C)C([C@H](C)C/C=C/C(O)(CC)CC)=CC[C@H]23)C[C@@H](O)C[C@@H]1F 1307221029 LRLWXBHFPGSUOX-GCOAATSNSA-N 442.659 7.158 30 10 IKEE CC[C@H](C)Cc1c(C)sc2nc(S[C@H](C)C(=O)Nc3cccc(C#N)c3)nc(O)c12 1458893045 BAIZCULUOIJMIS-GXTWGEPZSA-N 440.594 5.285 30 10 IKEE O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=Nc2cccnc2Cl)N1C1CCCCC1 1772735540 URVWFGPZSMARMP-DHTRNYPVSA-N 442.928 5.580 30 10 IKEE CC#C[C@@]1(O)CC[C@H]2[C@H]3CCC4=CC(=O)CCC4=C3[C@H](c3ccc(N(C)C)cc3)C[C@@]21C 1775963576 VKHAHZOOUSRJNA-LUVXZNDVSA-N 429.604 5.407 30 10 IKEE N#Cc1ccccc1NC(=O)c1cc(-c2cccc3ccccc23)n(Cc2ccccc2F)n1 1859392777 JAAMTXIDAIWVFO-UHFFFAOYSA-N 446.485 6.015 30 10 IKEE Cc1cc(C(=O)Nc2c(C#N)cnn2-c2ccc3ccccc3n2)c2cc(Cl)ccc2n1 1859649267 IBSPMZATOPVCSF-UHFFFAOYSA-N 438.878 5.055 30 10 IKEE CCCCCCCCCCNc1cc(N2CCOCC2)nc(-c2ccc(Cl)cc2)n1 1859792601 JJHCOSWDNUWYEZ-UHFFFAOYSA-N 431.024 6.186 30 10 IKEE CCCC[C@H](C)N(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 1859993939 DYUGXZNUWOGVAG-ZDUSSCGKSA-N 435.383 7.089 30 10 IKEE N#Cc1cccc(C(=O)N2CCC(c3ccc(OC(=O)c4ccc(F)cc4F)cc3)CC2)c1 1860706863 LMBJUCQWIRLIHN-UHFFFAOYSA-N 446.453 5.075 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2ccccc2Cl)cc1 1862391539 CHFGTMUEKGSUMR-QFIPXVFZSA-N 441.955 5.297 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@@H]1c1ccccc1F)c1ccccc1Cl 1862430999 XCJBUZALIFQWDN-HXUWFJFHSA-N 441.911 5.362 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(O)c(OC)c1 1862434655 DSNXNJAYZVZLNW-OAQYLSRUSA-N 443.927 5.213 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccccn2)cc1 1862489116 PUSOUZPBNOSZOR-DEOSSOPVSA-N 426.516 5.039 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(F)cc2F)c1 1862491555 WBFQUHGSWVRYSQ-QFIPXVFZSA-N 425.475 5.493 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(C(=O)O)cc2)c1 1862493102 IEKRRDWTGXEJQV-HSZRJFAPSA-N 447.531 5.303 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cccc(F)c1)c1ccc2c(c1)CCCC2 1862545316 XBWNIKJYPBBWQG-DEOSSOPVSA-N 433.523 5.616 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCc2ccc(Cl)cc2)c1 1862554943 OLKSWUNYOPCYCU-QHCPKHFHSA-N 446.934 5.052 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccc(Cl)cc1)c1cccc(O)c1 1862591774 NLZRQUXUQPMHOI-NRFANRHFSA-N 425.912 5.347 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccc(Cl)c1 1862660586 KJBFCJLCCZPAIS-JOCHJYFZSA-N 425.956 6.088 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc3ccccc23)cc1 1862667246 WVPADPWCTRBVGD-RUZDIDTESA-N 442.559 5.103 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 1862669154 PIAIHTVWAUKLGR-FQEVSTJZSA-N 431.454 5.816 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccccc2OC)cc1 1862673292 LKSZQVWNTHTGTG-XMMPIXPASA-N 445.490 5.175 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(Cl)cc1Cl 1862690248 KSRHEGHYMBXEOB-FQEVSTJZSA-N 448.346 5.771 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)c(F)c2F)=C(c2ccc(C)cc2)C1=O 1863276824 CNXANHRAKXXDIY-UHFFFAOYSA-N 444.497 5.965 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(F)c2)=C(c2ccc(F)cc2F)C1=O 1863306459 CXCASTCDNULZOT-UHFFFAOYSA-N 430.470 5.656 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccccc2F)=C(c2ccc(F)cc2)C1=O 1863508159 SICCGSYKZWBALW-UHFFFAOYSA-N 426.507 5.195 30 10 IKEE C=CCN(CC=C)c1cc(N2C[C@H](C)Cc3c(C)ccc(C)c32)nc(-c2ccccc2C)n1 1869148090 HLNXBPDETDLQHD-HXUWFJFHSA-N 438.619 6.578 30 10 IKEE CCCCCCCCn1cc(OCC(=O)Nc2cccc(Cl)c2Cl)c(=O)cc1C 1870086609 XTLFVHMIUCDEPS-UHFFFAOYSA-N 439.383 5.842 30 10 IKEE CCCCCCCOc1cn(CCCOCCCC)c(CNc2ccccc2C)cc1=O 1870830794 ZFOKCCACQIKULE-UHFFFAOYSA-N 442.644 6.325 30 10 IKEE CCCCCCCOc1cn(CCN(C)C)c(CNc2cccc(Cl)c2C)cc1=O 1870838073 MXVZTPLYVCYPAI-UHFFFAOYSA-N 434.024 5.333 30 10 IKEE CCCCCCCCN1COc2c(cc3c(c2C)O/C(=C\c2ccc(Cl)cc2)C3=O)C1 1871355765 UKUIHDIVXAUKIA-UCQKPKSFSA-N 439.983 6.777 30 10 IKEE Cc1cc(OC(=O)C(c2ccccc2)c2ccccc2)cc2c1C(=O)/C(=C/c1ccncc1)O2 1871371735 GDTVODLVXBICDZ-UQQQWYQISA-N 447.490 5.744 30 10 IKEE Cc1cc(OC(=O)c2c(F)cccc2Cl)cc2c1C(=O)/C(=C/c1ccccc1Cl)O2 1871375569 SQWPOOKEDOGILQ-GRSHGNNSSA-N 443.257 6.276 30 10 IKEE CC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2sccc2C)C3=O)c1 1871390299 PCXSASYWMBKSCQ-NDENLUEZSA-N 434.469 5.126 30 10 IKEE Cc1c(OCc2ccc(C(=O)OC(C)C)cc2)ccc2c1O/C(=C\c1ccncc1)C2=O 1871415340 XROZREJQNDYZPQ-UCQKPKSFSA-N 429.472 5.150 30 10 IKEE CC(=O)c1cccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)c1 1871438816 SYVMRTSLPIMFBN-MSXFZWOLSA-N 441.483 5.140 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4c(C)cc(C)cc4C)ccc3C2=O)cc1 1871458190 DYRBAIMORUCLNW-CFRMEGHHSA-N 443.499 5.254 30 10 IKEE C=CCN([C@H](C(=O)Nc1cc(C)ccc1C)[C@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1872571579 JXMILHLCQPNMFC-VGSWGCGISA-N 449.016 5.187 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1OC 1872764265 IUZFWGBOOLNPSM-RXERPNITSA-N 434.517 5.116 30 10 IKEE COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc(OC)c1OC 1872775758 ZELYMCSQYKGKMQ-SFHVURJKSA-N 436.533 5.449 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)c2cccc(OC(C)=O)c2)n1 1872777899 YZPATKYSIAVKRQ-FQEVSTJZSA-N 448.544 5.532 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(C)cc(C)c2)=C(c2cccc(OC)c2)C1=O 1873218296 GSBKTDVPOLNHRZ-UHFFFAOYSA-N 434.580 5.865 30 10 IKEE C=CCn1c(C(=O)NCCCCCCCC)cc2c(N(C)Cc3ccccc3)ncnc21 1873594058 KSGRZAAUHSPQJP-UHFFFAOYSA-N 433.600 5.344 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cc3ccccc3)cc2)cc2c(NCCCC)ncnc21 1873604283 SOTYIHPMHIUUOF-UHFFFAOYSA-N 439.563 5.672 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)Nc1cccc(C)c1C)n2CC 1873629241 RTFBAONDFQFBMO-UHFFFAOYSA-N 449.643 6.873 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(OCC)cc2)cc2c(NCc3ccccc3F)ncnc21 1873637395 XMLLGUBJMJBINJ-UHFFFAOYSA-N 445.498 5.020 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(CCc3cccc(OC)c3)nnc2SC)cc1 1874308381 UCBZKEKYXCGBPH-XIEYBQDHSA-N 438.597 5.245 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874316065 ZJNHJQQNXSEMDS-OVVQPSECSA-N 448.636 6.138 30 10 IKEE C=CCSc1nnc(COCc2ccccc2)n1/N=C/c1c(OC)ccc2ccccc12 1874355433 YRCLIDCXBXEBIW-WGOQTCKBSA-N 444.560 5.317 30 10 IKEE Oc1cccc(/C=N/n2c(SCc3cccc(F)c3)nnc2-c2ccccc2Cl)c1 1874366750 RUIWGOWGCSZCPW-DHRITJCHSA-N 438.915 5.618 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@H](C)c3ccccc3)n2/N=C/c2ccccc2F)c1 1874395310 JTKOFPCBAFFTKA-HXLYRSSUSA-N 444.579 6.360 30 10 IKEE O=[N+]([O-])c1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccccc2)cc1 1874402686 JEMLEVUITLORBF-KOEQRZSOSA-N 443.532 5.146 30 10 IKEE Clc1cccc(CSc2nnc(CCc3ccccc3)n2/N=C/c2cccs2)c1 1874404024 FEUVBOZPTPVVDP-BUVRLJJBSA-N 439.009 5.953 30 10 IKEE Fc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2Cl)cc1 1874418260 HGYWHZCWOOKNGN-CVKSISIWSA-N 436.943 5.836 30 10 IKEE Cc1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2ccc(C(C)C)cc2)cc1 1874420558 RUYKCADGVQZHCW-MFKUBSTISA-N 432.618 6.613 30 10 IKEE CCCSc1nnc(-c2ccccc2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874429059 OVFOHEPMSVDHEZ-NLRVBDNBSA-N 428.561 5.908 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1ccc(O)c(OCC)c1 1874478928 ZSWKYCJLOVFYMI-MFKUBSTISA-N 438.597 5.516 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(F)cc2)n1/N=C/c1cccc(Br)c1 1874487203 FJSIQLMOEDEMMM-FSJBWODESA-N 447.377 5.553 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2ccc(F)cc2)cc1 1874487697 PNSSUARVGSEKHQ-WGOQTCKBSA-N 440.588 5.969 30 10 IKEE Cc1ccc(CSc2nnc(C3CCC3)n2/N=C/c2ccc(Cl)c(Cl)c2)cc1 1874493536 RXCJXBQFPMGNQJ-WYMPLXKRSA-N 431.392 6.335 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(N(CC)CC)cc1 1874504229 MCVMMZHZGPCSQY-PCLIKHOPSA-N 425.577 5.390 30 10 IKEE CCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1c(F)cccc1Cl 1874506785 UXCQPJGSYIGCPH-SSDVNMTOSA-N 433.896 5.106 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874527241 FEJSLHBTXYCRKC-UFFVCSGVSA-N 436.324 5.230 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)c(OC)c1 1874588275 YLZDDTHJLWVXGA-UXBLZVDNSA-N 443.326 6.486 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)NC2CCCCC2)cc1Cl 1874590248 BAFXDOCDSYMOQU-ACCUITESSA-N 427.928 5.072 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)cc1OC 1874603181 OEIPWANGERZWMG-MDWZMJQESA-N 445.515 5.234 30 10 IKEE O=C(/C=C/c1ccc(OCCc2ccccc2)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 1874604148 XSMCNCXMUSTXBG-GXDHUFHOSA-N 427.500 5.991 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(OC)c1OCc1ccccc1 1874635122 GRUFMGBYYITYGE-BUHFOSPRSA-N 426.556 6.824 30 10 IKEE C=C(C)COc1c(OCC)cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1[N+](=O)[O-] 1874635853 XBTSZGAGWOKKGB-ZRDIBKRKSA-N 437.536 6.450 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccc(C)cc3)c2)cc1C 1874696048 GCNVTPQPNRXMIX-FMIVXFBMSA-N 430.500 5.365 30 10 IKEE CCCCCCCCC(=O)NCCc1nn2c(CCc3ccccc3Cl)nnc2s1 1874784705 RXMSCDCRNJRNFB-UHFFFAOYSA-N 448.036 5.034 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(Cl)s2)CSc2nnc(COC)n21 1874874680 DIIFXGGDSHMXOV-CQSZACIVSA-N 443.038 5.202 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)C1CCC1 1875082472 FSQJAOAFQJRXSV-GZTJUZNOSA-N 426.512 6.354 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccccc3CC)c(Cl)c2)cc1 1875100133 PLTFRCUKMZIBGN-RVDMUPIBSA-N 448.946 6.345 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)ccc1OC(=O)c1ccc(F)cc1F 1875101242 PERZHRBHSXHKCM-YRNVUSSQSA-N 438.426 5.487 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc4nc(C)c(C)nc4c3)cc2)c1 1875102415 GPYDHVVEHOETRW-NTEUORMPSA-N 438.483 5.371 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(-n4cccc4)cc3)cc2)cc1 1875105822 OHLZKOXQYUNZID-RGVLZGJSSA-N 449.550 6.935 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)c1ccc(F)c(F)c1 1875129362 YEJKUQRMKXLPDT-JLHYYAGUSA-N 434.438 5.817 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3c(C)ccc(C)c3C)cc2)cc1 1875129450 COAPINXDRZIURU-LICLKQGHSA-N 444.527 5.891 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)c1cccnc1 1875183655 MGYHXZXHRIOZSL-ZHACJKMWSA-N 441.527 5.859 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)ccc1OC(=O)C(F)(F)F 1875186022 AGLIHJNWBJWZER-QPJJXVBHSA-N 428.790 5.111 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3cccs3)c(Cl)c2)cc1C 1875187539 CSWGHLQPCLIEHG-SOFGYWHQSA-N 426.921 6.142 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)cc1F 1877010553 AJXXAYPEXWQJEN-ROUUACIJSA-N 429.374 5.488 30 10 IKEE COc1ccc(-c2cc(C(=O)N3CC=C(c4cncc(C#N)c4)CC3)c3ccccc3n2)cc1 1890974577 WVKHITVXTCURNN-UHFFFAOYSA-N 446.510 5.107 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CCC[C@]2(C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 1918324813 ZKWGPJXOKDDAPZ-XMMPIXPASA-N 445.535 5.251 30 10 IKEE C=C(COCc1ccccc1)[C@H](CCC1(NC(=O)OC(C)(C)C)CCCCC1)NCCC 1922053589 CXICEADUQZZMRL-DEOSSOPVSA-N 444.660 6.135 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](O)c1c(C)sc(C)c1Br 1922055602 SQXRVTDHGVMRBP-RTWAWAEBSA-N 438.431 5.302 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC[C@@H]1CCCCN1C(=O)OC(C)(C)C)NCCC 1922066353 SVSONBVPGWOLAT-ZEQRLZLVSA-N 430.633 5.697 30 10 IKEE CC1(C)CN(C(=O)OC(C)(C)C)C[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 1922772912 DGWYIWINZPERKV-VWLOTQADSA-N 443.588 5.353 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@@]1(C#N)[C@H](CNC(=O)OC(C)(C)C)CCCC12CCC2 1924828358 IBYQUNWMUYCGTA-DFBJGRDBSA-N 449.636 5.637 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 1944587286 BSIAJPROYOTIJF-MWTRTKDXSA-N 433.524 5.154 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C)([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 2022137286 YXRLSGLXLBBOAK-WZONZLPQSA-N 433.524 5.106 30 10 IKEE CC1(C)C[C@@H]([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)N(C(=O)OC(C)(C)C)C1 2033724616 XTXCKLJRGPIUGZ-VQTJNVASSA-N 449.636 5.874 30 10 IKEE C=CCC1([C@H](O)c2c(Cl)ccc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2058340075 QRZGHSMMQYMFHD-OAHLLOKOSA-N 434.733 5.088 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)c(Cl)c1F 2063092640 NQHCZJWSNPGFNT-CZUORRHYSA-N 435.765 5.362 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@@H]2C(C)C)c1 2067955110 KZWOAEMGTZSNGI-CJFMBICVSA-N 443.588 5.664 30 10 IKEE CCOC(=O)c1c(C2CCC2)nn(Cc2c(F)cccc2C(F)(F)F)c1C(F)(F)F 2079051555 HHEPGTKNFKDGIQ-UHFFFAOYSA-N 438.343 5.552 30 10 IKEE CCc1ccc([C@@H](C2CCC2)n2nc(C3CCC3)c(C#N)c2I)cc1 2079078105 KIGFQQYMDZLTET-HXUWFJFHSA-N 445.348 5.579 30 10 IKEE CCc1ccc([C@H](C2CCC2)n2nc(C(F)(F)F)c(/C=N/O)c2Br)cc1 2079138481 WRYBZFINDXKHBK-MQEPLNOPSA-N 430.268 5.424 30 10 IKEE CCCc1ccc([C@@H](C)n2nc(C(C)(C)C)c(C=NO)c2I)cc1 2079886002 WRVYZOTUICRXFD-CYBMUJFWSA-N 439.341 5.155 30 10 IKEE CCc1nn([C@H](c2ccc(C(C)C)cc2)C2(C)CC2)c(I)c1C#N 2079896807 ONGLSFOLUHTQNF-GOSISDBHSA-N 433.337 5.435 30 10 IKEE CSc1ccc([C@@H](n2nc(C)c(C#N)c2I)C(C)(C)C)cc1 2080088730 RNEUPSKURKGOCO-OAHLLOKOSA-N 425.339 5.025 30 10 IKEE CC(C)(C)c1nn2c(O)c(C#N)cnc2c1-c1ccc(C(F)(F)F)c(Br)c1 2081165291 NBFKSXWKQASZOL-UHFFFAOYSA-N 439.235 5.052 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Cl)c(Br)c1F 2097185061 YOKITVZWRNLITN-PBHICJAKSA-N 449.792 5.752 30 10 IKEE Cc1ccc(NC(=O)c2cscc2OCc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2100091004 FRNXVIAPYOHKPI-UHFFFAOYSA-N 449.381 5.187 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCC(C)(C)C[C@@H]1OCc1ccccc1 2105752293 VOMOKVVXDLLFIM-CUBQBAPOSA-N 448.607 6.794 30 10 IKEE CCCN[C@]1(C#N)C[C@@H](CC)C[C@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)C1 2118769537 KWKDAMLAABDANV-OWPQXHQJSA-N 446.683 5.461 30 10 IKEE C=CCN(CC[C@@H](NCCC)c1cc(Cl)cc(Br)c1)C(=O)OC(C)(C)C 2136670988 WGPFTRUHJZUXKS-GOSISDBHSA-N 445.829 5.956 30 10 IKEE Cc1c(Cl)cc(CN2CCC(=CB3OC(C)(C)C(C)(C)O3)CC2)cc1Br 2167558512 NTCVTAFMHCXJSI-UHFFFAOYSA-N 440.618 5.565 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCN(c2cc(Br)ccc2C#N)c2ccccc21 2174810734 POYGVKNPCMMEIS-KRWDZBQOSA-N 428.330 5.428 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCCCN2c2ccc(C#N)cc2Br)CC1 2178253784 ZDFVKNSJRLXFFQ-UHFFFAOYSA-N 434.378 5.081 30 10 IKEE Brc1ccc(N=C2NC3(CCSCC3)CCS2)cc1Br 2185909426 ITORJCLHPTYDEH-UHFFFAOYSA-N 436.238 5.191 30 10 IKEE Cc1sc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)c(C)c1Br 2226504389 WYWJQOPGDIQFRR-HNNXBMFYSA-N 439.350 6.273 30 10 IKEE C=C(C)C[C@@H](NCCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229130478 OMXAHLSKMWPXMQ-RTBURBONSA-N 425.411 5.219 30 10 IKEE O=C(OCc1ccccc1)N(CC(F)(F)F)[C@H](CO)c1ccc(F)cc1C(F)(F)F 2235300605 GHTRVTHSKNSUFO-MRXNPFEDSA-N 439.327 5.079 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)CCC(C)(C)NC(=O)OC(C)(C)C 2235747647 RMEFPNIZTWLATL-SFHVURJKSA-N 437.422 5.252 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C)(CNc2ccc(C#N)c(Br)c2F)CC1(C)C 2236744896 SCZMZMFRLZHQPT-FQEVSTJZSA-N 440.357 5.297 30 10 IKEE C=CC[C@H](C)[C@H](NCCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237403779 YXVCNNLPLGBCMT-VDGAXYAQSA-N 439.438 5.465 30 10 IKEE C=CCCC1([C@H](C[C@H](C)COCc2ccccc2)NCC)CN(C(=O)OC(C)(C)C)C1 2247410378 CYMJYWKEECUJKH-GMAHTHKFSA-N 430.633 5.411 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CN(CC1CCCCC1)C(=O)OC(C)(C)C)NCC 2250591333 LVYHCXORJVJGSA-XMMPIXPASA-N 430.633 5.555 30 10 IKEE CC(C)(C)C#CC=CCC(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2256773951 LGVYHFRQVFVCQY-UHFFFAOYSA-N 438.612 5.111 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)c1cc(Br)c(Cl)s1 2261828263 KNFPRQFPUYSUTN-QGZVFWFLSA-N 445.762 5.469 30 10 IKEE C=C(F)C[C@H](OCCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2263087241 LLATYDCPPDVOPU-SANMLTNESA-N 435.539 6.124 30 10 IKEE C=C(C)CCCC[C@H](O)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2271755246 MCTFUBWIPRFOFP-MOPGFXCFSA-N 426.395 5.382 30 10 IKEE Cc1c(NC(=O)OC(C)(C)C)ccc(C(=O)C#Cc2ccccc2Br)c1C 2283508322 WUFWMEGLDBHJDY-UHFFFAOYSA-N 428.326 5.647 30 10 IKEE COc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2ccccc2F)cc1 2296125669 MGLATFUNRHULEZ-DEOSSOPVSA-N 429.447 5.017 30 10 IKEE C=CCOc1c(Cl)cc(C=C2C(=O)N(c3ccc(Cl)cc3)N=C2C)cc1OCC 2296907970 LUQDOVXUQLFKQV-UHFFFAOYSA-N 431.319 5.763 30 10 IKEE CCN1C(=O)C(=C2Sc3ccccc3N2C)SC1=Nc1c(O)ccc2ccccc12 2297451619 HHKCIZKVWZREIN-UHFFFAOYSA-N 433.558 5.539 30 10 IKEE COc1cc(C(=O)Oc2ccccc2C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC 2314430189 YKONZOGJENKDFZ-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE C=CCN1C(=O)C(=Cc2cccc(OCc3ccc(C)cc3)c2)SC1=Nc1nccs1 2314542567 MCJVOSMPSKFETD-UHFFFAOYSA-N 447.585 5.821 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCC3(CN(C(=O)OC(C)(C)C)C3)C2)cc1 2317579656 ZAOXZBNBYQEGGE-RUZDIDTESA-N 441.572 5.420 30 10 IKEE CCOc1cc(C=Nn2c(SC)nnc2C(C)C)ccc1OCc1cccc(Cl)c1 2318418031 NOASZPGKPJSRIL-UHFFFAOYSA-N 444.988 5.637 30 10 IKEE O=C(C=Cc1cccc(OCc2ccccc2)c1)C(=O)Nc1cccc(OC(F)(F)F)c1 2318789042 XPARKUPQDZKKMT-UHFFFAOYSA-N 441.405 5.385 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc4c3CN(CCc3ccc(OC)cc3)CO4)C2=O)cc1 2321937463 KHPQTOMDMQXZAV-UHFFFAOYSA-N 441.527 5.268 30 10 IKEE CN(C)CCCCN1COc2ccc3c(c2C1)OC(=Cc1c(Cl)cccc1Cl)C3=O 2322119833 LALGPCNVZMXRJM-UHFFFAOYSA-N 447.362 5.103 30 10 IKEE COc1ccc(CCN2COc3c(cc4c(c3C)OC(=Cc3ccc(F)cc3)C4=O)C2)cc1 2322288891 RPCITXVVWGMBAJ-UHFFFAOYSA-N 445.490 5.154 30 10 IKEE COc1cccc(C=C2Oc3c(cc4c(c3C)OCN([C@H](C)c3ccccc3)C4)C2=O)c1 2322371254 JKYLFYLYGIFMBU-GOSISDBHSA-N 427.500 5.533 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1cccc([N+](=O)[O-])c1)C3=O)CN([C@@H]1CCCC[C@@H]1C)CO2 2322391871 YUZOMVBSYNKBGC-YCRPNKLZSA-N 434.492 5.250 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccccc2Cl)c1OCCc1ccccc1 2322436742 LLRKEOOJOWNRQO-UHFFFAOYSA-N 427.327 6.520 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)c3ccc(Br)cc3)cc(C)c2C1=O 2322708555 OGKDZDAYMSQPBS-UHFFFAOYSA-N 449.300 5.901 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2cc(Br)cc(OC)c2OC)cc1Cl 2322884520 ZIXGLPUHNKCACP-UHFFFAOYSA-N 441.705 5.033 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC)c(OCc3ccc(C(=O)OC)o3)c2)cc1 2323076071 CSSOFXSEEVSASX-UHFFFAOYSA-N 448.515 5.893 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OCC(=O)Nc1ccc(C)cc1 2323138549 IVONIHCKTIJOAK-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc2c(c1C)OC(=Cc1ccncc1)C2=O 2323176971 BFDSWMYFMRPYJP-UHFFFAOYSA-N 429.472 5.079 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1OCc1cccc(Cl)c1 2323259599 DHOCAVHRYVTWLR-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1OC 2323438241 IDKQNEWSZBGDCN-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE Cc1ccccc1COc1ccc(C=CC(=O)c2ccccc2Cl)cc1Br 2323603924 NMOUVDPWVHGNSG-UHFFFAOYSA-N 441.752 6.886 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc2c(c1)OC(=Cc1ccccc1OC(F)F)C2=O 2323720890 QICVDXMYGOECJX-UHFFFAOYSA-N 436.410 5.442 30 10 IKEE CCOc1cc(C=NNc2nc(-c3cccs3)c(C)s2)cc(Cl)c1OC(C)C 2323858378 OUXQNWOIKCPJFA-UHFFFAOYSA-N 436.002 6.465 30 10 IKEE CCOc1cc(C=NNc2nc(-c3ccc(C)c(C)c3)cs2)cc(Cl)c1OCC 2323865466 GGGDUSHJWUEBDX-UHFFFAOYSA-N 429.973 6.324 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OCc1ccc(Cl)cc1 2323943658 WCKJRIONSBRMHH-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE CCCCCCCC[C@](C)(NCCCN(Cc1ccccc1)Cc1ccccc1)C(=O)O 2324294813 NVYBLYCSGNMQEI-NDEPHWFRSA-N 438.656 6.262 30 10 IKEE CCOc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(CC)cc3)cs2)cc1OC 2324378624 QKHDYPJFDCTZJV-HXUWFJFHSA-N 432.545 5.669 30 10 IKEE Cc1ccccc1C=C1Oc2cc(O[C@@H](C)C(=O)Nc3cccc(C)c3C)ccc2C1=O 2324498692 BWUUFKDTDCCFOF-IBGZPJMESA-N 427.500 5.634 30 10 IKEE COc1ccc(C=C2Oc3cc(OCCCCOc4ccc(C)cc4)cc(C)c3C2=O)cc1 2324586191 JUVTZDRXHPXHOF-UHFFFAOYSA-N 444.527 6.166 30 10 IKEE Cc1cc(OCCOc2ccc(Cl)cc2)cc2c1C(=O)C(=CC=Cc1ccccc1)O2 2324673170 GPBYQEPQQJFIKW-UHFFFAOYSA-N 432.903 6.279 30 10 IKEE CCOC(=O)c1ccc(COc2ccc3c(c2C)OC(=Cc2ccc(OCC)cc2)C3=O)o1 2325402334 ORUVRYAHSZIKCN-UHFFFAOYSA-N 448.471 5.359 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccccc2F)C3=O)cc1 2325613988 GTPYSGPZIZHDCE-QGZVFWFLSA-N 445.490 5.973 30 10 IKEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(Cl)c(Cl)c1 2325642750 VIGWBYZQRCIZQQ-UHFFFAOYSA-N 446.190 6.375 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2c(F)cccc2Cl)c1)c1ccc2c(c1)CCCC2 2325702047 HZFGGAKEGQRXJI-UHFFFAOYSA-N 434.894 6.473 30 10 IKEE CCc1ccccc1OCC(=O)Oc1cccc(C=CC(=O)c2ccc(OC)c(OC)c2)c1 2325703657 UEPOGOOHWBMZHI-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1cccc(C=CC(=O)c2ccc(Br)cc2)c1 2325716158 TXKOCHNPIQVSRZ-UHFFFAOYSA-N 439.280 5.632 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1OC(=O)Cc1ccc(Cl)cc1 2325727150 MXILLQSLDCQUAF-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE COc1ccc(CCC(=O)Oc2cccc(C=CC(=O)c3cc(C)ccc3OC)c2)cc1 2325743593 YXZXORQXEJSJOK-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1OC(=O)c1cccc(F)c1 2325755266 QVNCCCUGBKKQMX-UHFFFAOYSA-N 434.463 5.575 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)COCc3ccccc3)c2)c(C)c1C 2325755765 NEMIFXJIDYUTON-UHFFFAOYSA-N 430.500 5.330 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1N=Cc1ccccc1 2325856045 CYKWZRUZWOQKDN-UHFFFAOYSA-N 448.636 6.138 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1ccc(OC)c(OC)c1 2326418083 WTXVJYMYVQORIY-UHFFFAOYSA-N 438.597 5.429 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccccc1OCC(C)C 2326596896 GQWPPYZKNPYKTB-UHFFFAOYSA-N 436.625 6.057 30 10 IKEE CCCOc1cccc(C=Nn2c(COc3ccccc3Cl)nnc2SCC)c1 2327635821 ZPRWCTUCRGVJES-UHFFFAOYSA-N 430.961 5.294 30 10 IKEE CCc1ccc(C=Nn2c(Cc3ccc(C)c(C)c3)nnc2SCc2ccccc2)cc1 2329422074 HZRISFQAGLVPOZ-UHFFFAOYSA-N 440.616 6.223 30 10 IKEE Cc1cccc(C=Nn2c(CCc3ccccc3C)nnc2SCc2cccc(F)c2)c1 2329477926 FVYDSGQVMSDZNK-UHFFFAOYSA-N 444.579 5.994 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(F)cc3)n2N=Cc2ccccc2O)c1 2329816295 MXQSWHYMZCOQPK-UHFFFAOYSA-N 432.524 5.197 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2Cl)n1N=Cc1cccn1C 2330110643 YGTZXUIEDOTKIF-KRWDZBQOSA-N 435.984 5.596 30 10 IKEE Cc1ccc(CSc2nnc(Cc3cccs3)n2N=Cc2ccccc2C(=O)O)cc1 2330317400 YTLMNSCSUIARKB-UHFFFAOYSA-N 448.573 5.112 30 10 IKEE CCOc1ccc(C=NNC(=S)NC2CCCCCCCCCCC2)cc1OCC 2330450631 MCZWRPMEMBUNOA-UHFFFAOYSA-N 433.662 5.955 30 10 IKEE Cc1ccccc1NC(=O)CSc1nnc(CC(C)(C)C)n1N=Cc1sccc1C 2330824126 MWRDJCQNZNRMIR-UHFFFAOYSA-N 441.626 5.158 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3)c([N+](=O)[O-])c2)cc1C 2330867487 YIFCZXOMIYACJV-UHFFFAOYSA-N 445.471 5.346 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2C2CCCC2)c(OC)c1 2331018433 RVQJIQLMKZCAOP-UHFFFAOYSA-N 436.581 5.436 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)Cc1ccccc1 2331136475 JHOJOFIQYJQUQH-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCCc3ccccc3)nnc2-c2ccco2)cc1 2331211334 LSAXBQHTKVRZHY-UHFFFAOYSA-N 446.576 5.934 30 10 IKEE Clc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2-c2ccco2)cc1 2331222356 JRUSIBPSKVHLGI-UHFFFAOYSA-N 444.947 6.519 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc(Br)c1OC(=O)C1CC1 2331282393 ONYMQVGNIUWFGG-UHFFFAOYSA-N 429.310 5.368 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C(F)(F)F)cc3)cc2)ccc1F 2331333050 QOYPUDLEBHPMOG-UHFFFAOYSA-N 428.381 6.268 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)c3cccc(Cl)c3)c([N+](=O)[O-])c2)ccc1F 2331339911 JBWQBMVFBKRNMX-UHFFFAOYSA-N 439.826 5.811 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C(C)(C)C)cc1OC 2331397442 CNVVWUNSZIAWED-UHFFFAOYSA-N 444.988 5.421 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3)c([N+](=O)[O-])c2)cc1F 2331457867 QHKPEXIOEZFIKM-UHFFFAOYSA-N 449.434 5.177 30 10 IKEE CC(C)Cc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(C(C)C)cc1 2331470913 VSEHNIZPXRYGSE-UHFFFAOYSA-N 427.017 6.428 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)c1cccs1 2331556226 WCQBPCBXWDCZEH-UHFFFAOYSA-N 430.428 5.159 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C(C)C)cc1 2331707288 KQJRVENJAXBXGR-UHFFFAOYSA-N 443.016 6.408 30 10 IKEE CC1(C)OB(C=Cc2ccc(Oc3ccc(Br)c(Cl)c3)nc2)OC1(C)C 2365111325 DJSNGLOTLWSYKR-UHFFFAOYSA-N 436.542 5.934 30 10 IKEE Cc1cc(Cl)cc(OCc2ccc(B3OC(C)(C)C(C)(C)O3)c(Br)c2)c1 2377311730 YIWYVFNGVIENLW-UHFFFAOYSA-N 437.570 5.289 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2 14460365 PJGBRVXGHDSQQC-HFMPRLQTSA-N 440.996 5.529 30 10 IKEE CC1=C(C(=O)Nc2cccc(C)n2)[C@H](c2cccc(Cl)c2Cl)C2=C(CCCC2=O)N1 18043502 PXSINBYKIFFTSF-FQEVSTJZSA-N 442.346 5.303 30 10 IKEE CCCCOc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(OCCC)cc1)C2 20883032 YHULTNVRUGQGCD-NFBKMPQASA-N 447.575 5.659 30 10 IKEE CCc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(F)ccc2F)cc1 21223102 IZFAWUQJQBFAFF-DNOBIOAJSA-N 430.498 6.507 30 10 IKEE CC(C)(C)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 21253233 QATBZXMNFOSKTJ-QYBDOPJKSA-N 428.601 7.025 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NC[C@H]1CCCO1)[C@H]2c1ccccc1 21722109 CTZAQFNJTNQTIO-CLOONOSVSA-N 445.563 5.192 30 10 IKEE C=CCn1c(-c2ccccc2)cs/c1=N\N=c1/scc(-c2ccccc2)n1CC=C 24081543 LSOKARJYSPXDOU-YPAXQUSRSA-N 430.602 5.535 30 10 IKEE CCCC/N=c1\scc(-c2ccc(Br)s2)n1/N=C/c1ccc(C#N)cc1 25391469 YMKLTRVBKMWHLI-QQGUOSOASA-N 445.411 5.495 30 10 IKEE N#Cc1nc(COc2ccc(Cl)cc2)oc1N(Cc1ccccc1)Cc1ccccc1 35342850 MMJFUUWMKJVUGD-UHFFFAOYSA-N 429.907 5.985 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(OCCCC)c(OC)c2)S/C1=N/c1nccs1 39864876 HFYXLNKLRAODKS-VUXKIEERSA-N 429.567 5.121 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(OCCC)cc1 40097495 DNHCBCBEHDLPRC-HSZRJFAPSA-N 433.504 5.600 30 10 IKEE CCn1cc(/C=C2\Oc3c(ccc(OC(=O)Cc4cccs4)c3C)C2=O)c2ccccc21 41354556 YWOQWQMWCBQOPD-QRVIBDJDSA-N 443.524 5.795 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCc4cc(C)ccc4C)cc(C)c3C2=O)c(OC)c1 41433591 UOVJBQSDIGRXRW-ROTLSHHCSA-N 430.500 5.824 30 10 IKEE CCc1sc2nc(C)n(Cc3cccc(C#N)c3)c(=O)c2c1-c1ccc(Cl)c(C)c1 96525220 NRBGXKSOGHZUEJ-UHFFFAOYSA-N 433.964 5.878 30 10 IKEE N#CCCCOc1cccc(NC(=O)/C=C\c2ccc(OC(F)F)cc2OC(F)F)c1 108298709 ACBJQKDWZPPTAG-CLFYSBASSA-N 438.377 5.224 30 10 IKEE N#Cc1ccccc1-c1ccccc1C(=O)N[C@H]1CCOc2ccc(Br)cc21 108808077 GVPWRPOTQLHIEQ-NRFANRHFSA-N 433.305 5.241 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(OC(C)C)c2)s1 169981633 HZVNOOFJWFRLQA-HXUWFJFHSA-N 440.565 5.068 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccn2)cc1 169991871 RAUDKGZMFYYBDY-QFIPXVFZSA-N 432.907 5.641 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccccc2)cc1 170054443 HCXYNGQEJWDEGN-JOCHJYFZSA-N 433.891 5.127 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(O)c2)cc1 170079478 TUIDZOQLDLHSRO-QHCPKHFHSA-N 431.463 5.438 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccccc2C)c1 170086288 GPKJWKJBJCDGCK-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(O)cc2)cc1C(C)(C)C 170138280 ALLTXBGZMXDZRK-QHCPKHFHSA-N 449.547 5.219 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccs2)cc1 170157087 AGLNJQMBCCIWIJ-WNSKOXEYSA-N 445.540 5.417 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2cccs2)c1 170160262 VFHANVJGCQATAS-QFIPXVFZSA-N 449.528 5.332 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2ccccc2)c1 170227677 KAZSEZVGSNVKDC-XMMPIXPASA-N 443.499 5.272 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1)c1cc2ccccc2o1 170238556 XCUNNQRNOIRNJF-QFIPXVFZSA-N 431.394 5.494 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2ccc(F)cc2)cc1 170239975 LRRADUYEYHTYEZ-XMMPIXPASA-N 443.474 5.242 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2ccco2)ccc1F 170284324 RUZKFWDVWXNDGH-HXUWFJFHSA-N 425.843 5.472 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccc(F)cc2)o1 170311248 PZHFXMLWFIVMTM-FQEVSTJZSA-N 425.843 5.159 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3c(c2)C[C@H](C)O3)=C(O)C(=O)N1c1cccc(F)c1 170313724 QLKOQDQHMNGTSR-LHSJRXKWSA-N 449.503 5.302 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1C1CCCC1 170319675 SXAPJUXCIPGCFU-HXUWFJFHSA-N 425.550 5.365 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(OC(F)(F)F)cc2)c1 170458596 KZOUQYVRJFFNDC-LJQANCHMSA-N 443.377 5.270 30 10 IKEE Oc1ccc(Cc2ccccc2Cl)cc1C=Nc1ccc2oc(-c3ccccc3)nc2c1 252601403 DZUAXGVASOYPKK-UHFFFAOYSA-N 438.914 7.195 30 10 IKEE C=CCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2CC)SC1=Nc1ccccc1C 254509776 MVMLFSSJLHMRNX-QLMUGPIMSA-N 437.590 5.554 30 10 IKEE C=CCOc1ccc(CNc2ccc(I)c(Br)c2)cc1 312533210 HNDOBCVPQWLHGQ-UHFFFAOYSA-N 444.110 5.231 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1 526519352 BNEYIZOZECRQEP-OAQYLSRUSA-N 449.825 5.316 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2c(C)[nH]c3ccccc23)cc1 526605005 RZTMOXHSUCIJFC-RUZDIDTESA-N 435.483 5.414 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(Nc3ccccc3C#N)=C(Sc3ccccc3)C2=O)c1 526657381 QRSHQZGMRMEFJC-UHFFFAOYSA-N 425.513 5.164 30 10 IKEE CCOc1cc(/C=N\n2c(CC)nnc2SCc2cccc(Cl)c2)ccc1OC 526811634 PHQJAMAXGDTIGS-QRVIBDJDSA-N 430.961 5.076 30 10 IKEE CCCCCCCCCC[C@@H](COC(=O)CCC)Sc1ccc(O[C@@H](C)CC)cc1 585664434 IXSVKMXYLUJZCA-DHLKQENFSA-N 436.702 8.199 30 10 IKEE C=CCN(C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586132562 LSSDNBVISWDNMH-UHFFFAOYSA-N 432.372 5.960 30 10 IKEE C=CCCN(c1ccc(N2CCC(C)CC2)cc1)S(=O)(=O)c1ccc(OCC)cc1 586254126 MUFAXSWITNOILY-UHFFFAOYSA-N 428.598 5.093 30 10 IKEE N#Cc1ccccc1NC(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 586721261 ACSZLNSHZWEJDI-UHFFFAOYSA-N 448.482 6.247 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1ccc(F)c(F)c1F 693450344 XSJIBXFQLAAEJW-OAHLLOKOSA-N 441.247 5.873 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H](Nc3cc(Br)ccc3C#N)C(C)(C)[C@@H]21 693668948 SOBMMMOVEVYXGI-KBAYOESNSA-N 434.378 5.157 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 710715746 HKFXQAJDFWNCQH-WZONZLPQSA-N 449.979 5.763 30 10 IKEE Cc1cc(C)cc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2cc(O)cc(Cl)c2)c1 762445481 OVWNRDRIRSQCEQ-UHFFFAOYSA-O 436.944 5.145 30 10 IKEE O=C(Oc1ccccc1C=Nc1ccc(Cl)cc1)c1sc2ccccc2c1Cl 1083863552 SZIXOBRDXJJKSA-UHFFFAOYSA-N 426.324 7.178 30 10 IKEE O=C(/C=C\c1ccc2c(c1)OCO2)c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 1088645262 YQKXGLNORCONFJ-QPIMQUGISA-N 439.876 6.024 30 10 IKEE C=CC(C)(C)CCNC(=O)CSCc1nc(O)c2c(-c3ccccc3)csc2n1 1533450985 DHLGHWMMTLHAGX-UHFFFAOYSA-N 427.595 5.016 30 10 IKEE CC1=C(c2ccccc2)[C@H]2[C@@]3(C)C(=O)[C@@](C)(C(c4ccccc4)=C3c3ccccc3)[C@]2(C)C1=O 1616048135 PPAHKOHUGHVCKH-ZKKLFSJWSA-N 444.574 6.885 30 10 IKEE C=C(C)[C@H](NCC(=O)Nc1nc(C)c(Cc2ccc(C)cc2)s1)c1ccc(F)c(F)c1 1645345273 UPBKXXVSLXWDGO-QHCPKHFHSA-N 441.547 5.474 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(O)c(OC)c2)SC1=Nc1nc(-c2ccccc2)cs1 1772736790 KYDVCOVOCUWOMB-QUXILYDTSA-N 449.557 5.314 30 10 IKEE CC(C)CCC(=O)Nc1cccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1 1860135159 ZELZUELCDULSIS-MRXNPFEDSA-N 439.581 5.137 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1sccc1C 1861742379 FVFINXUWYAZBRV-JOCHJYFZSA-N 428.642 5.655 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(C(C)C)cc1 1862380634 ICHLQWLUOBLVBL-NRFANRHFSA-N 446.374 6.351 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccc(N(CC)CC)cc2)cc1 1862393964 GVPFBEYKRNZFIV-RUZDIDTESA-N 448.607 5.862 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(F)cc2F)=C(O)C(=O)N1CCc1cccs1 1862411922 RILNQZVDGVEDBW-NRFANRHFSA-N 439.483 5.156 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(C(=O)O)cc1 1862478747 PPNYLHIEHKFOBC-JTHBVZDNSA-N 449.547 5.630 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862496760 SAJIKBFELBNQHV-CYFREDJKSA-N 435.564 5.859 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccccc2F)cc1 1862501438 CHEOVPBKROWKKV-DEOSSOPVSA-N 447.481 5.403 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccccc2)cc1 1862507679 QPNMDDNMRDDWFR-IQGLISFBSA-N 443.518 6.036 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862555355 DBDYBSBYFUUUIQ-XMMPIXPASA-N 432.564 5.522 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1c(Cl)cccc1Cl 1862563294 ZSOMDNDGMMOZJY-FQEVSTJZSA-N 447.362 5.734 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccccc2)cc1OC 1862576031 KUFRNDNDUXQISX-XMMPIXPASA-N 447.531 5.173 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cccc(F)c1)c1ccc(Cl)c(Cl)c1 1862581427 HVVLKKQHAGDWDX-HXUWFJFHSA-N 448.321 6.044 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccc(C)cc2)cc1 1862590117 BDWMPRVTPHSDCA-XMMPIXPASA-N 427.500 5.042 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(F)cc1F 1862596080 RLRWWMYJGNYSTP-VGOFRKELSA-N 443.490 5.608 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccccc2)cc1 1862660710 PJRKDFAFMWQXHS-RUZDIDTESA-N 429.560 6.279 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 1862663002 NBROHADINHGNTP-HSZRJFAPSA-N 431.488 5.190 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 1862683759 TWKRNEMGGHRXNX-LJQANCHMSA-N 445.368 5.216 30 10 IKEE Cc1ccc(CN2C(=O)C(Nc3cccc(C#N)c3)=C(c3cccc4ccccc34)C2=O)cc1 1863225440 IDDBFTLLSRSBLY-UHFFFAOYSA-N 443.506 5.412 30 10 IKEE C=CCN1C(=O)C(Nc2cc(Cl)ccc2Cl)=C(c2ccc(OC(C)C)cc2)C1=O 1863359923 MREXGBWWWINPJS-UHFFFAOYSA-N 431.319 5.159 30 10 IKEE N#Cc1ccc(NC2=C(c3ccccc3Cl)C(=O)N(Cc3ccccc3Cl)C2=O)cc1 1863445959 OAHCAKGBVHBODV-UHFFFAOYSA-N 448.309 5.257 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H](C)c2ccccc2)=C(c2cc(C)ccc2C)C1=O 1863741656 RBGITHLQMUFWLP-JOCHJYFZSA-N 432.608 6.095 30 10 IKEE CCCC[C@@H](NC(=O)C[C@@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccccc1C#N 1866746800 QPEDTBRNAULDLE-AOYPEHQESA-N 447.623 6.125 30 10 IKEE Cc1ccc(-c2nc(Nc3ccc(C#N)cc3)cc(N3CCO[C@@H](c4cccnc4)C3)n2)cc1 1868330523 RYNOHTSQYGVOIN-XMMPIXPASA-N 448.530 5.040 30 10 IKEE C=CCOc1cn(Cc2ccccc2C)c(CNc2cccc(Br)c2)cc1=O 1870809486 FVOSGJZUHHZUGP-UHFFFAOYSA-N 439.353 5.144 30 10 IKEE CCCCCCCOc1cn(CCc2ccccc2)c(CNc2ccc(C)cc2)cc1=O 1870830752 YAIBTNYLPXSYCK-UHFFFAOYSA-N 432.608 6.361 30 10 IKEE CCCCCCCOc1cn(CCC(C)C)c(CNc2ccc(OC)c(OC)c2)cc1=O 1870833192 BVCAJZRNQRMZLX-UHFFFAOYSA-N 444.616 5.873 30 10 IKEE CCCCC[C@H](CC)N1COc2cc(C)c3c(c2C1)O/C(=C\C=C\c1ccccc1)C3=O 1871347520 DXXQAGCMIODBNJ-AIKBSWGXSA-N 431.576 6.678 30 10 IKEE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871376949 MUVSTBVCKXHSMZ-XPGPHDSVSA-N 426.468 5.547 30 10 IKEE Cc1c(OC(=O)/C=C/c2ccc(C(C)C)cc2)ccc2c1O/C(=C\c1ccc(F)cc1)C2=O 1871380010 RQMQQMTYPSYZJY-YOVYXIJGSA-N 442.486 6.493 30 10 IKEE Cc1c(OC(=O)c2cc(Cl)ccc2Cl)ccc2c1O/C(=C\c1ccccc1)C2=O 1871380963 GVLLFUYGBBMNNS-JAIQZWGSSA-N 425.267 6.137 30 10 IKEE CC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)cc2)C3=O)c1 1871390502 ZFWPNCIMVFYNID-QRVIBDJDSA-N 428.440 5.064 30 10 IKEE CCn1cc(/C=C2\Oc3c(ccc(O[C@@H](C)C(=O)OC(C)C)c3C)C2=O)c2ccccc21 1871400903 OGSWMHYEENPHJD-ICODJCHTSA-N 433.504 5.305 30 10 IKEE CCn1cc(/C=C2\Oc3cc(O[C@H](C)C(=O)OC(C)C)ccc3C2=O)c2cc(OC)ccc21 1871401076 SUHIDBLRGZGARQ-CACIFTLBSA-N 449.503 5.005 30 10 IKEE COC(=O)c1cccc(COc2cc(C)c3c(c2)O/C(=C\c2ccccc2Cl)C3=O)c1 1871416182 PWRXJRGCKMZIPJ-UUYOSTAYSA-N 434.875 5.630 30 10 IKEE CCCOC(=O)[C@@H](CC)Oc1cc(C)c2c(c1)O/C(=C\c1cn(C)c3ccccc13)C2=O 1871432639 FKKXGWJZNYYXOP-SGMQAHBGSA-N 433.504 5.214 30 10 IKEE COc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871456844 ACVDXVIKAVMGTN-FYPXMSKISA-N 441.483 5.194 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cc(C)ccc4C)ccc3C2=O)cc1 1871460336 HOXGGMFCELCYHX-QFEZKATASA-N 427.500 5.500 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(C(F)(F)F)cc2)[nH]c(N(CC)CC)n1 1871683257 KKTSUVRVVGLOSR-UHFFFAOYSA-N 438.542 5.675 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)CCC 1871857421 TURUBZHVJHIWKW-QHCPKHFHSA-N 444.597 5.204 30 10 IKEE N#C[C@@H](C(=O)C12CC3CC(CC(C3)C1)C2)c1nc(-c2ccc(Br)cc2)cs1 1872764647 TZCOQDFNNCDWRH-CTEACUEPSA-N 441.394 5.965 30 10 IKEE COc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)c(OC)c1 1872780528 JIKYPKGGWMZHAO-JCOOBLOPSA-N 448.544 5.342 30 10 IKEE CCCCCCCCNC(=O)c1ccc2nc(COc3cc(C)c(Cl)c(C)c3)[nH]c2c1 1872807857 IOGZXKJTDSWLAU-UHFFFAOYSA-N 442.003 6.502 30 10 IKEE CCCCCCCCNC(=O)c1ccc2nc(CCCOc3ccc(OC)cc3)[nH]c2c1 1872808436 ZUSSWKBOWSWFIW-UHFFFAOYSA-N 437.584 5.673 30 10 IKEE C=CCc1ccccc1OCc1cccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)c1 1872833812 BPDXFWRXYLURPP-UHFFFAOYSA-N 440.587 6.483 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2Cl)C(=O)N([C@H](CC)CCCCC)C1=O 1873032386 QQIMDSSQTOKLRB-HXUWFJFHSA-N 447.063 6.729 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccccc2OC)=C(c2ccccc2C)C1=O 1873100378 SLAUYBOZUINYRU-UHFFFAOYSA-N 434.580 5.234 30 10 IKEE CCCOc1c(/C=N/Nc2oc(Cc3cccc4ccccc34)nc2C#N)cccc1OC 1873463153 BLOVGIVAWMVJFY-OGLMXYFKSA-N 440.503 5.534 30 10 IKEE CCCCCCCCN=c1nc2c(cnn2-c2ccccc2)c(Nc2ccc(Cl)cc2)[nH]1 1873478452 YLDLZWFSOXMRGY-UHFFFAOYSA-N 449.002 6.407 30 10 IKEE Sc1nnc([C@@H]2CCCO2)n1/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 1873504639 FHCJCZITCJATRF-RIDKEVFESA-N 449.363 5.186 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C(C)(C)C)cc2)cc2c(NCCCOCC)ncnc21 1873605228 QPHNZEFAFKVXOK-UHFFFAOYSA-N 435.572 5.006 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(N(C)C)c2)cc2c(NCCCCCCCC)ncnc21 1873620934 APMPNSUAFYSZOI-UHFFFAOYSA-N 448.615 5.708 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(Cl)c(Cl)c1)n2CC 1873655944 FCLAENRCWBPCNA-UHFFFAOYSA-N 430.339 5.189 30 10 IKEE CCCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1c(F)cccc1Cl 1874247823 YJJHRDGLRJMHHO-MFKUBSTISA-N 446.979 5.775 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2Cl)n1/N=C/c1cc(C)ccc1O 1874267050 XYUOVHFKKIFQMF-FOKLQQMPSA-N 428.945 5.075 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2Cl)n1/N=C/c1cccc2ccccc12 1874279086 SNWRAZOADPFNDP-JVWAILMASA-N 447.007 6.420 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1cccnc1 1874363066 LPODZMKPHYMSSE-JVWAILMASA-N 431.540 5.080 30 10 IKEE C=CCSc1nnc(CCc2cccs2)n1/N=C/c1c(OC)ccc2ccccc12 1874371078 HHOKEZWGSAGMRI-LFVJCYFKSA-N 434.590 5.447 30 10 IKEE C=CCSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1cc(Br)ccc1F 1874380634 CAORAXYBFAPMTF-FSJBWODESA-N 449.324 5.070 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2[C@H](C)c2ccccc2)c1 1874392068 CKGDLULIALXFCF-AYQSFACRSA-N 442.588 5.921 30 10 IKEE CCSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874396692 LPERBVHTWVMJSC-FGAYPWGZSA-N 442.588 6.003 30 10 IKEE CCOc1cccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccccc2)c1 1874402700 KAMBVLDKBAJTCY-ZXVVBBHZSA-N 442.588 5.637 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccccc2O)c1 1874408104 HGTUCKJQWVBPJP-WGOQTCKBSA-N 434.609 5.898 30 10 IKEE Cc1cccc(CSc2nnc(Cc3cccs3)n2/N=C/c2cccc(Cl)c2)c1 1874411939 SGDZWLRWPMRPOU-ZVHZXABRSA-N 439.009 6.067 30 10 IKEE C=CCSc1nnc(Cc2cccs2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874413272 KVHSBBJOKLHKEM-KOEQRZSOSA-N 446.601 5.670 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccccc3)n2/N=C/c2c[nH]c3ccccc23)c1 1874428629 SDBPQWKKQLSVIZ-LQKURTRISA-N 437.572 6.218 30 10 IKEE COCCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1c(Cl)cccc1Cl 1874469428 FCESBBSHWMCAAP-FSJBWODESA-N 435.380 5.257 30 10 IKEE CCOc1c(/C=N/n2c(SCc3cccc(C)c3)nnc2C2CCC2)cccc1OC 1874493738 BVVFWQJNVNXSCZ-MFKUBSTISA-N 436.581 5.436 30 10 IKEE COCc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc(Cl)cc1Cl 1874501807 AXBLJEYEMRLDCR-LSFURLLWSA-N 441.771 5.559 30 10 IKEE C=CCSc1nnc(C(C)C)n1/N=C/c1ccc(OCCc2ccccc2)c(OC)c1 1874514277 QIEGLVDHKVHSEI-KOEQRZSOSA-N 436.581 5.192 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C(C)C)cc1 1874515535 DBEZFLQMGVXIAI-WYMPLXKRSA-N 433.408 6.445 30 10 IKEE CCCCOc1ccc(/C=N/n2c(C)nnc2SCCc2ccccc2)cc1OCC 1874531344 FBUKMIYLQBSLDO-XIEYBQDHSA-N 438.597 5.381 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c1OCc1ccccc1C 1874569689 DOIPSABFTMLPHG-FMQUCBEESA-N 434.535 7.146 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccccc2OCc2ccccc2F)cc1OCCC 1874576604 VWVCKEPSJMUPRM-FYWRMAATSA-N 448.534 6.878 30 10 IKEE O=C(/C=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)c1ccc(Cl)cc1 1874577594 WANGWACMMAAQQQ-CCEZHUSRSA-N 443.886 6.877 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C)cc2C)c1OCC(=O)N[C@H](C)c1ccccc1 1874578795 HJFLDURZJCTUAF-DGWAXEAPSA-N 443.543 5.464 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OCc1c(F)cccc1Cl 1874595448 LVYSLLWFOJLVKI-CSKARUKUSA-N 431.290 6.616 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc1OCc1ccccc1F 1874598619 VXDFKSVGAOUJNH-ZRDIBKRKSA-N 448.534 6.750 30 10 IKEE CC(C)COC(=O)COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1[N+](=O)[O-] 1874603011 GPPGOIWPADIUMZ-YRNVUSSQSA-N 433.460 5.222 30 10 IKEE CCN(CC)C(=O)COc1c(Cl)cc(/C=C/C(=O)c2cccc(Cl)c2)cc1OC 1874612423 UMNNXALSAZMBQB-MDZDMXLPSA-N 436.335 5.145 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCCc3ccccc3)c([N+](=O)[O-])c2)cc1 1874617401 ZKEYINXNTOUFQG-RIYZIHGNSA-N 431.488 5.901 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCc3ccccc3C)c(Cl)c2)cc1C(C)C 1874627636 YMUXYIINQAQJQC-ZRDIBKRKSA-N 448.990 7.564 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)ccc1OCc1cccc(C)c1 1874633785 UOJFWGNGDFBURJ-CSKARUKUSA-N 436.935 6.449 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)cc1Cl 1874636953 AWIGYZSQTIGODK-KPKJPENVSA-N 449.934 5.879 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)c2ccccc12 1874638339 VDHVEEHOXFCPOM-GHRIWEEISA-N 437.495 5.762 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cccc(OC(=O)COc3c(C)ccc(C)c3C)c2)c1 1874703405 OAYBWJIMSSRFDG-BUHFOSPRSA-N 428.528 6.109 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C)c(C)c3)c2)cc1 1874714192 IMNMUYZXPAOBNK-GHRIWEEISA-N 442.555 6.527 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(OCC)cc2)CSc2nnc(CC)n21 1874837852 GKLZLSZJDLOQIL-HXUWFJFHSA-N 430.618 5.301 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C2CCC2)c(Br)c1)c1ccc2ccccc2c1 1875096190 AXSKFQLKBHKPHR-XYOKQWHBSA-N 435.317 6.204 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)c(C)c3)c(OC)c2)cc1 1875107722 GHIWICXMRFVUTA-LFIBNONCSA-N 442.555 6.770 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)CCc1ccccc1 1875119844 PIERZJAOKJITFL-DTQAZKPQSA-N 430.500 5.528 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2OC)c1 1875136627 STJGMKKRWPJQPE-YRNVUSSQSA-N 432.472 5.136 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)cc1)c1ccc2c(c1)OCO2 1875149812 JKKCHSZYPUNYKJ-AQAFXJLISA-N 446.886 5.674 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(-n3cccc3)cc2)cc1)c1ccc2c(c1)OCO2 1875150439 NPFCHOYOERCUIV-WLRTZDKTSA-N 437.451 5.321 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(F)c3)cc2)cc1 1875153037 YNYCHHLIIMSPQD-RIYZIHGNSA-N 448.490 5.667 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OC(=O)c1ccncc1 1875160395 OFTKVJYZQSFEMG-RMKNXTFCSA-N 445.515 5.512 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)C(c3ccccc3)c3ccccc3)cc2)cc1C 1875175857 KBSBTJUCWADBSJ-CAPFRKAQSA-N 446.546 6.937 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1C[C@H](CC)CCN1C(=O)OC(C)(C)C 1922115737 JXWVTXIRSQSVFI-YFNKSVMNSA-N 430.633 5.553 30 10 IKEE CCCCCCCCC[C@H](NCC)c1sc(Br)cc1Br 1922908855 HLJXPXZANOACPB-AWEZNQCLSA-N 425.274 7.064 30 10 IKEE c1ccc(CN(CCCN=C2N[C@H](CC3CCCCC3)CS2)Cc2ccccc2)cc1 1926703909 NBRYWAATIZDHSF-AREMUKBSSA-N 435.681 6.110 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@H](C#N)[C@H]1CCCCN1C(=O)OC(C)(C)C 1944735976 IWXHRHDHZQCCMF-RTBURBONSA-N 433.524 5.249 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)C1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2042135444 BKBWGFWETUVDCL-RTBURBONSA-N 449.636 5.732 30 10 IKEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(C)cc1 2045240010 JWOSMPSFYXYUFS-UQBPGWFLSA-N 443.588 5.666 30 10 IKEE COCCN1C(=O)C(=Cc2ccc(OC(F)F)cc2)SC1=Nc1ccc(Cl)cc1 2053624531 LVAYEQLTNCFIGP-UHFFFAOYSA-N 438.883 5.192 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)c(Br)c1)NCCC 2063090204 LGUMLUOQTVQDAF-SJORKVTESA-N 431.802 5.093 30 10 IKEE N[C@H](CC#CC1CCCCC1)c1ccc(I)c(Br)c1 2093456509 CPBMKQMOJLPBBP-MRXNPFEDSA-N 432.143 5.027 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1cc(Br)ccc1Cl 2124449516 QSPAUYOHNMSFRB-AWEZNQCLSA-N 444.757 5.018 30 10 IKEE CCCCCCCCC(=O)Nc1ccc(Cl)c(I)c1Cl 2150348276 VWAIXVSLFSXDIC-UHFFFAOYSA-N 428.141 6.287 30 10 IKEE CC1(C)CC2(CC([C@H](C#N)N(C(=O)OC(C)(C)C)c3ccccc3Br)C2)C1 2158843551 FIWPWQUPVMNVKD-SFHVURJKSA-N 433.390 6.299 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](CNc2cc(Br)c(C#N)cc2F)C12CCC2 2177326236 MKUPHHNKGJHERQ-CQSZACIVSA-N 438.341 5.051 30 10 IKEE C=CCCCCCCC[C@@H](O)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2227285852 KZHVFQMCGUJNGA-LJQANCHMSA-N 426.395 6.746 30 10 IKEE CN[C@@H](C#Cc1ccccc1Br)[C@@H](CCC(C)(C)C)NC(=O)OC(C)(C)C 2235747346 PELLJJFFWKWQCM-RBUKOAKNSA-N 437.422 5.108 30 10 IKEE CCCCCCCC[C@@H](N)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237407978 YBYHJXCYYYTCBE-WOJBJXKFSA-N 441.454 5.963 30 10 IKEE C#CCN(C(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCC1 2243917866 XZLVUJLHZSSQGA-UHFFFAOYSA-N 444.575 5.098 30 10 IKEE Cc1sc(C(=O)N(Cc2ccccc2)C(C)(C)C)c(C)c1B1OC(C)(C)C(C)(C)O1 2247928892 DCQTXRZDMODMBU-UHFFFAOYSA-N 427.419 5.105 30 10 IKEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)[C@@H](C)C(C)(C)C 2255610878 QIDRGIKXKSOSSH-SFHVURJKSA-N 441.446 5.433 30 10 IKEE CC(C)[C@@H](C)N(Cc1ccccc1)C(=O)c1cccc(Cl)c1B1OC(C)(C)C(C)(C)O1 2256106551 YZUOUKQKRNICDQ-GOSISDBHSA-N 441.808 5.326 30 10 IKEE C=CCCC1([C@H](NCC)c2ccc(Br)cc2C)CN(C(=O)OC(C)(C)C)C1 2281047400 ZGIULDYUYUUETI-LJQANCHMSA-N 437.422 5.611 30 10 IKEE C=CCCCCC[C@H](NC)[C@@](C)(O)c1cc(Br)c(Br)s1 2281234892 GCEIRSXWGUSGAQ-SWLSCSKDSA-N 425.230 5.205 30 10 IKEE C=C(C)CCCC[C@H](NC)[C@@](C)(O)c1cc(Br)c(Br)s1 2287390790 TYRPAPAAQBUCPA-SWLSCSKDSA-N 425.230 5.205 30 10 IKEE O=C1ON=C(c2ccccc2)C1=Cc1ccc(OC(=O)c2ccc(Br)cc2)cc1 2293497326 ZKUISVOJZNRREC-UHFFFAOYSA-N 448.272 5.013 30 10 IKEE N#Cc1ccccc1COc1ccc2ccccc2c1C=C1NC(=O)N(c2ccccc2)C1=O 2294061213 MIPXVWUCLJUECP-UHFFFAOYSA-N 445.478 5.388 30 10 IKEE COCCN1C(=O)C(=Cc2ccc(Sc3ccccc3)o2)SC1=Nc1ccccc1 2294137514 JNZDVOKXDPDMSP-UHFFFAOYSA-N 436.558 5.681 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)C[C@@H](CCC)NC(=O)OC(C)(C)C 2296310472 KEZNEXNIXKFTLZ-VQTJNVASSA-N 437.422 5.252 30 10 IKEE O=C(C=Cc1ccccc1)Oc1ccc2c(c1)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2296589922 ZYWLIPCLIKKAIW-UHFFFAOYSA-N 437.278 6.228 30 10 IKEE Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1 2296590699 GEWVICORMDHARV-UHFFFAOYSA-N 434.513 5.502 30 10 IKEE O=[N+]([O-])c1cccc(C=Nc2ccc3oc(-c4cc5ccccc5cc4O)nc3c2)c1O 2296647826 FYBGKTNWTKNJOI-UHFFFAOYSA-N 425.400 5.718 30 10 IKEE C=CCN1C(=O)C(=Cc2ccccc2OCCSc2ccc(Cl)cc2)SC1=S 2297303602 VTJUTJBWERJEPM-UHFFFAOYSA-N 448.034 5.898 30 10 IKEE Cc1ccc(N=C2NC(=O)C(=Cc3ccc(-c4ccc(C(=O)O)cc4)o3)S2)cc1Cl 2297329607 OEMBOCLHKVXZMI-UHFFFAOYSA-N 438.892 5.498 30 10 IKEE CN=C1Sc2nc3c(cc2CN1C1CCCCC1)c(C(C)(C)C)nn3-c1ccccc1 2297506778 BHLZWBSISMQIQR-UHFFFAOYSA-N 433.625 5.944 30 10 IKEE O=C1NC(=Nc2ccccc2)SC1=Cc1cc(C23CC4CC(CC(C4)C2)C3)ccc1O 2297560322 OMZMBFWEZGVZJM-UHFFFAOYSA-N 430.573 5.752 30 10 IKEE CCOc1ccc2oc(C)c(C(=O)Oc3ccc(C(=O)C=Cc4cccs4)cc3)c2c1 2314429481 IGLLHTUWANCPRQ-UHFFFAOYSA-N 432.497 6.317 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)cc1 2318881711 XWKDQZDSDZOBLT-NJDAHSKKSA-N 443.588 5.712 30 10 IKEE COc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CC2)cc1OC 2320871995 IJHSAQMELXCXKI-UHFFFAOYSA-N 444.560 5.500 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C)n2N=Cc2cc(Br)ccc2F)c1 2321154300 NHEJILQZKUZSRN-UHFFFAOYSA-N 433.350 5.279 30 10 IKEE Sc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccc(Cl)cc1Cl 2322234832 HJDZFDIEOWRMGU-UHFFFAOYSA-N 441.771 5.421 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3c4c(cc(C)c3C1=O)OCN(CCC(C)C)C4)cn2C 2322236315 HMCXLZZHVJKYRD-UHFFFAOYSA-N 446.547 5.310 30 10 IKEE CCCCC[C@H](CC)N1COc2c(cc3c(c2C)OC(=Cc2ccc(OCC)cc2)C3=O)C1 2322356793 LJJNIHAFEIFXJE-QFIPXVFZSA-N 449.591 6.521 30 10 IKEE CCCCOCCCN1COc2c(cc3c(c2C)OC(=Cc2ccccc2F)C3=O)C1 2322391389 JBDOTLKPXUGOTQ-UHFFFAOYSA-N 425.500 5.109 30 10 IKEE COC(=O)c1ccc(COc2ccc3ccccc3c2C=CC(=O)c2ccc(F)c(C)c2)o1 2322630930 MWLWHYYLOBLHLK-UHFFFAOYSA-N 444.458 6.142 30 10 IKEE CCn1cc(C=C2Oc3cc(OC(=O)c4ccccc4C)cc(C)c3C2=O)c2ccccc21 2322681223 BRXRHSGGBBTISY-UHFFFAOYSA-N 437.495 6.113 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C(C)C)cc2)c1OCC(=O)NC1CCCCC1 2322738118 QAIRMWULLSONEY-UHFFFAOYSA-N 435.564 5.542 30 10 IKEE CCCNC(=O)COc1ccc2ccccc2c1C=CC(=O)c1c(C)c(C)cc(C)c1C 2322842608 QNEKDOGVUQBLST-UHFFFAOYSA-N 429.560 5.875 30 10 IKEE COc1cccc2cc(C(=O)Oc3ccc4c(c3C)OC(=Cc3ccccc3F)C4=O)oc12 2322860248 PWFIHYNERYVAKU-UHFFFAOYSA-N 444.414 5.724 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc3C2=O)cc1 2322890070 WXQKWNHUNROMDR-UHFFFAOYSA-N 434.875 5.503 30 10 IKEE Cc1ccc(CCC(=O)Oc2ccc3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)cc1 2323078841 GOXQQEBLZFYBRO-UHFFFAOYSA-N 429.428 5.058 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1OCC(=O)Nc1cccc(C)c1 2323118385 MHKDMEKSAIZACP-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc(C)c3C2=O)cc1 2323280213 JYRDIPFUNJNXAG-UHFFFAOYSA-N 443.455 5.609 30 10 IKEE CCc1ccc(NC(=O)COc2cccc(C=CC(=O)c3ccc(OC)cc3OC)c2)cc1 2323283430 MAGURLBIGTYOKJ-UHFFFAOYSA-N 445.515 5.180 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)ccc2OC)cc1OCc1ccc(Cl)cc1 2323330179 CGIAQZILBBMYKJ-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE CCCN(CCC)C(=O)COc1cccc(C=CC(=O)c2ccc(OC)c3ccccc23)c1 2323331651 YICDUDCWBQDVCI-UHFFFAOYSA-N 445.559 5.772 30 10 IKEE Cn1cc(C=C2Oc3cc(OC(=O)c4c(F)cccc4Cl)ccc3C2=O)c2ccccc21 2323353396 AKUVLGVBTPYNLT-UHFFFAOYSA-N 447.849 5.806 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3cc(OC(=O)CC4CCCCC4)ccc3C1=O)cn2C 2323485416 DNUJDEOMGLQJCF-UHFFFAOYSA-N 445.515 5.679 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1OCC 2323733391 GQOLMJGLGKVSMR-UHFFFAOYSA-N 445.506 5.287 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(Cl)c2)cc(OC)c1OCc1ccc(F)cc1 2323775090 ZSKOSZRGQBUPAB-UHFFFAOYSA-N 436.910 6.691 30 10 IKEE CCCOC(=O)COc1c(OC)cc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OC 2324155961 YAHKIRKDDHSEPY-UHFFFAOYSA-N 426.509 5.055 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OCC(N)=O)c(Cl)c2)cc1 2324209585 DPDFZUPHTXUMHH-UHFFFAOYSA-N 429.944 5.449 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(O[C@@H](C)C(=O)OC(C)C)c3C)C2=O)c2ccccc21 2324305249 OGSWMHYEENPHJD-KRWDZBQOSA-N 433.504 5.305 30 10 IKEE N#C[C@H](C(=O)C=Cc1ccc(Cl)cc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2324451232 PYIOAZRKBORROO-MRXNPFEDSA-N 444.299 5.915 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1C)OC(=Cc1ccncc1)C2=O 2325145384 ITTFUFAKHTZASA-SFHVURJKSA-N 428.488 5.029 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCC(=O)Nc3cc(C)cc(C)c3)ccc2C1=O 2325721250 SGDAQDXRBNWDMC-UHFFFAOYSA-N 443.499 5.336 30 10 IKEE COc1ccccc1C(=O)C=Cc1cccc(OC(=O)CCCOc2ccccc2C)c1 2325724388 VTRTXHJQEMLHKP-UHFFFAOYSA-N 430.500 5.664 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3c(F)cccc3Cl)c2)cc1F 2325748708 KUAGQYDOTRJTBK-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC(=O)Cc2ccccc2F)c1 2325752505 JLFTUWNJXLLATN-UHFFFAOYSA-N 446.518 6.176 30 10 IKEE COc1cc(C(=O)Oc2cccc(C=CC(=O)c3ccc(C)c(C)c3)c2)cc(OC)c1OC 2325760395 ZKCDEORUGLMXTB-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccccc3)c2)cc1C 2325770286 MEQDBXWOAGQTRW-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2cc(Br)c(O)c(OC)c2)cc1 2325794394 RKFVSGLYRJFPFG-UHFFFAOYSA-N 447.369 6.409 30 10 IKEE CCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccc(O)cc1 2325810330 RRTQHLLMRWILFC-UHFFFAOYSA-N 444.988 5.260 30 10 IKEE CCCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1N=Cc1cccs1 2325821039 BBQIFVNSIPUAOH-UHFFFAOYSA-N 444.626 5.609 30 10 IKEE FC(F)(F)c1ccccc1C=Nn1cnnc1SCc1ccc(Cl)c(Cl)c1 2326486189 KGMWKHQTSNTQSR-UHFFFAOYSA-N 431.270 5.778 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccccc1F 2326596948 VJKCEUDHRJFZQV-UHFFFAOYSA-N 430.552 5.906 30 10 IKEE CCc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccc(C#N)cc2)cc1 2326689153 QPNKPZSXKFMJCA-UHFFFAOYSA-N 437.572 5.477 30 10 IKEE CCCCOc1ccc(C=Nn2c(COc3ccccc3Cl)nnc2SC)cc1 2327601357 XRTWYMUABCRWHG-UHFFFAOYSA-N 430.961 5.294 30 10 IKEE CCCCCOc1ccc(C=Nn2c(Cc3cccc4ccccc34)nnc2SC)cc1 2327702760 FJZYAHZFCFJZPC-UHFFFAOYSA-N 444.604 6.195 30 10 IKEE Cc1ccccc1CSc1nnc(COc2c(C)cccc2C)n1N=Cc1ccc[nH]1 2328545764 COWWZIFVFQOGRB-UHFFFAOYSA-N 431.565 5.285 30 10 IKEE Clc1ccc(C=Nn2c(SCc3ccccc3)nnc2-c2ccccc2Cl)cc1 2329576865 YIDRJCIADUNZMH-UHFFFAOYSA-N 439.371 6.426 30 10 IKEE COc1cccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCc2cccc(C)c2)c1 2329816369 KAMRWDXMLZIRAE-UHFFFAOYSA-N 446.551 5.500 30 10 IKEE CCCOc1ccccc1C=Nn1c(CC2CCCCC2)nnc1SCc1ccccc1 2330270131 YICSJRGFKXPOOO-UHFFFAOYSA-N 448.636 6.364 30 10 IKEE Fc1ccc(C=Nn2c(Cc3cccs3)nnc2SCc2cccc(F)c2)cc1 2330359638 CLGPJLNTZDFODT-UHFFFAOYSA-N 426.517 5.383 30 10 IKEE COCCC(=O)Oc1c(OC)cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1OC 2330596368 UFFOIFXNRLQMIQ-UHFFFAOYSA-N 446.499 5.209 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)c(OC)c2)c1 2330800487 TZFBTNZRMYWLMR-UHFFFAOYSA-N 444.527 6.117 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3Cl)cc2)cc1C 2330805316 OFQVFHINGLWZBX-UHFFFAOYSA-N 425.311 6.726 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2)n1N=Cc1ccc(C(F)(F)F)cc1 2330842483 QFQQLYBLPIGVQA-UHFFFAOYSA-N 432.515 6.060 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2[C@@H]2CCCO2)cc1 2330961203 DFDAXXQMLSXKHC-QFIPXVFZSA-N 436.581 5.320 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)c1c(F)cccc1Cl 2331165020 LTGPNVWOHNJBLZ-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)[C@H]1C[C@@H]1c1ccccc1Cl 2331180280 QQYQMYIUPKPIHE-YADHBBJMSA-N 446.930 6.344 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)CCc1ccccc1 2331278751 FZZZROPCORUMDY-UHFFFAOYSA-N 448.946 6.481 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(OC)c([N+](=O)[O-])c1 2331293576 AHUREJXWARBURC-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)Cc2ccc(C)cc2)c([N+](=O)[O-])c1 2331362227 LCWMGGRDZDYGLN-UHFFFAOYSA-N 445.471 5.264 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OC(=O)c1cccc(Cl)c1 2331488593 HTFZUQWGUOFWCP-UHFFFAOYSA-N 442.898 6.617 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)c1ccccc1 2331493132 ZWCCHCAVZSTBSG-UHFFFAOYSA-N 430.500 5.943 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)[C@@H]2CCCO2)c(Cl)c1 2331548693 WCGFOVJZIYQFTE-QHCPKHFHSA-N 442.939 5.627 30 10 IKEE CCCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1N=Cc1ccc(C(C)C)cc1 2331632490 YJPWGVPISYRWPZ-UHFFFAOYSA-N 449.624 5.584 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(C(C)C)n1N=Cc1c[nH]c2ccccc12 2331675129 ZWNVDIOSFBHOIY-UHFFFAOYSA-N 446.580 5.058 30 10 IKEE Cc1cccc(CSc2nnc(C3CC3)n2N=Cc2ccc(Cl)c([N+](=O)[O-])c2)c1 2331731076 UEAMUYPFCOTKSY-UHFFFAOYSA-N 427.917 5.200 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3cc(C)ccc3C)c(Cl)c2)c(C)c1 2331768597 XXQIKMNHLKBTRW-UHFFFAOYSA-N 446.974 6.926 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)cc3)cc2)c2ccccc12 2331864412 ZGJABNTUMWGPDY-UHFFFAOYSA-N 436.507 6.201 30 10 IKEE Cc1cc(CNc2ccc(Br)c(Cl)c2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369675363 HFOLRGBNZLVFEV-UHFFFAOYSA-N 436.586 5.322 30 10 IKEE CCOC(=O)CSc1nc2c(c(-c3cccs3)c1C#N)CC/C2=C/c1cccs1 11612191 GRTOHCMYOMUHMP-KAMYIIQDSA-N 438.599 5.885 30 10 IKEE Oc1ccc(/C=N/c2cccc(C3=NN(c4ccccc4)[C@@H](c4ccc(F)cc4)C3)c2)cc1 15773315 HZVUVUIDJLQNPY-BEMCQEHZSA-N 435.502 6.638 30 10 IKEE Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2sc3c(c2C#N)CCCC3)cc1 27520263 OEIXTSTWTPXSTC-GNVQSUKOSA-N 439.540 6.038 30 10 IKEE Cc1noc2c1[C@H](c1cccc(Br)c1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 28051616 ACQYNELHLXNPJA-KKSFZXQISA-N 435.321 5.704 30 10 IKEE CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CC(=O)O)C[N+](C)(C)C 32790544 IPOLTUVFXFHAHI-FRHQNKJESA-O 426.662 6.117 30 10 IKEE in-vitro COc1ccc(/C=C(\C(=O)c2cc(OC)c(OC)c(OC)c2)c2nc3ccccc3o2)cc1 33457271 NAAZRSQSGGMPNQ-CPNJWEJPSA-N 445.471 5.286 30 10 IKEE Cc1ccc(/C=C2/Oc3cc(OC(=O)c4ccccc4Br)ccc3C2=O)o1 33561091 YFRWDWMWGHSDOD-YBFXNURJSA-N 425.234 5.186 30 10 IKEE CC(C)Oc1ccc(C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)c2nc3ccccc3o2)cc1 33905554 VDECFKOXCHAWHV-MOHJPFBDSA-N 439.555 7.336 30 10 IKEE CCCCCCn1c(O)c(C(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c(C)c(C#N)c1=O 38627333 RBOMFVOOLQOSKT-LJQANCHMSA-N 438.568 5.396 30 10 IKEE C#CCOc1ccc(/C=N/Nc2c3ccccc3nc3ccccc23)cc1Br 39557542 HIZKZMWTTDEDPI-MFKUBSTISA-N 430.305 5.609 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@H]1c1ccc(OCC)cc1 40085853 DCBPASYIHWPUMI-HSZRJFAPSA-N 437.536 5.171 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(OC)cc4)cc(C)c3C2=O)cc1 41285328 DKBKCABNPQGZSI-UCQKPKSFSA-N 430.456 5.238 30 10 IKEE COc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2cccs2)C4)c(OC)c1 41645613 SJESSWSRHPUQGC-YVNNLAQVSA-N 449.528 5.042 30 10 IKEE Clc1cccc(/N=C/c2cc(Br)c(I)o2)c1Cl 59104924 FZJLQLKJSVEMDY-FZSIALSZSA-N 444.881 5.704 30 10 IKEE CC(=O)N1CCC[C@H](C(=O)Nc2cc(Cl)c([C@@H](C#N)c3ccc(Cl)cc3)cc2C)C1 59747642 OAZIYIXJQWOOJQ-PXNSSMCTSA-N 444.362 5.154 30 10 IKEE CCCC/C(C)=N/Nc1nc(SCCC(=O)Nc2c(Cl)cccc2Cl)n[nH]1 59891199 VRAUKNLLIQTFDB-SSDVNMTOSA-N 429.377 5.210 30 10 IKEE CCCCCCCOc1cccc(NCC(=O)Nc2ccc(Oc3ccccc3)cc2)c1 100089671 KQLKFFWRUDQOHV-UHFFFAOYSA-N 432.564 6.879 30 10 IKEE CCN1C(=O)C[C@@H](C(=O)Nc2ccc(Cl)cc2)S/C1=N\c1ccc(C)c(Cl)c1 100194458 YRSBAFSDTNRSPK-DJUDNFEDSA-N 436.364 5.282 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(NC(C)(C)C)c1[N+](=O)[O-] 101449106 DKCOXIGJQYGJGR-UHFFFAOYSA-N 435.657 7.488 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\S(=O)(=O)c2cccs2)cc1OCC 169908010 QVHMRHSJAYHNNV-NKFKGCMQSA-N 437.627 6.084 30 10 IKEE CCOc1cc(/C=N\n2c(S)nnc2C(CC)CC)ccc1OCc1ccccc1F 169910238 AJSQDZQLKVWYFX-QFEZKATASA-N 442.560 5.469 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2ccc(C)cc2)c1 169934954 TTYKESRXIKPYBR-AREMUKBSSA-N 449.506 5.940 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccccc2C)c1 169936963 FQZMZWBDSDPOJG-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2nc3ccccc3[nH]2)c1 169973173 XUPIAQDPINIPJR-NRFANRHFSA-N 443.890 5.308 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2cccs2)c1 169984638 ZIYOTAOGCWWGGH-OAQYLSRUSA-N 437.948 6.110 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2c[nH]c3ccccc23)ccc1F 170078345 LMENFLGPMKUKTM-HSZRJFAPSA-N 432.495 5.526 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)[C@@H]1c1ccco1)c1cccc(Cl)c1 170095328 IUNJODXIXCOUEZ-GOSISDBHSA-N 447.796 5.735 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2C2CCCC2)c1 170121492 JGOASIQWABFLPH-XMMPIXPASA-N 449.547 5.251 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@H]1c1ccccc1OC 170124980 JVHGJFYIZXBQID-HSZRJFAPSA-N 437.536 5.206 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@@H]1c1cccs1 170156392 HAUTWQZJKCGICB-OAQYLSRUSA-N 437.492 5.296 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C2CCCC2)c1 170218742 MHKQVKBHBUDRRK-NRFANRHFSA-N 425.912 5.260 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccccc2)c1 170223666 OJGRLWLQSHXMBU-DEOSSOPVSA-N 427.500 5.485 30 10 IKEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(F)c4)[C@@H]3c3ccccc3F)ccc2O1 170248003 NTKIUXUAJFLVIG-LFVRLGFBSA-N 447.437 5.071 30 10 IKEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccc1C 170277728 RBSHUOCEPAZQKD-VWLOTQADSA-N 442.559 5.068 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2ccco2)cc1C 170278854 HYRQGTVLKFQRCB-QHCPKHFHSA-N 447.487 5.168 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccc(C)o2)cc1 170301401 JFVZMLKCFWVIHP-XMMPIXPASA-N 439.467 5.533 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2C)cc1Cl 170397191 ICEVXSRRTZVHOI-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccncc2)=C(O)C(=O)N1c1ccc(C(F)(F)F)cc1 170406289 RMXJKRDIYAIKPX-QGZVFWFLSA-N 444.434 5.253 30 10 IKEE CCCCCCCCCC(=O)O[C@@H]1CC[C@@H]2[C@H]3CCc4cc(OC)ccc4[C@@H]3CC[C@@]12C 247982630 XXXNFLRIRGXPDQ-SJBMPIJESA-N 440.668 7.604 30 10 IKEE CN1C(=O)/C(=C2/Sc3ccccc3N2C)SC1=Nc1ccc(Oc2ccccc2)cc1 252641996 ZHUTWQVIPWXUAC-SEYIQKDNSA-N 445.569 6.083 30 10 IKEE CSc1nnc(-c2ccco2)n1N=Cc1ccc(COc2ccc(Cl)c(Cl)c2)o1 254402827 MJDZEELREFPXNM-UHFFFAOYSA-N 449.319 5.621 30 10 IKEE CCCOc1ccc(/C=C2\SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc1OC 254856123 QOODNLLNLFMICV-MMKHHPBPSA-N 444.556 6.293 30 10 IKEE N#C[C@H](Nc1cccc(Br)c1)c1cc(Br)cc(Br)c1 394582060 UZFIGEFCRTYPMO-AWEZNQCLSA-N 444.952 5.651 30 10 IKEE CCCCCCCCCC[C@@H](N)c1cc(NC(=O)OC(C)(C)C)ccc1Br 406451801 BDDFJQDKLJQIAQ-HXUWFJFHSA-N 441.454 7.327 30 10 IKEE NC(=S)N(/N=C/c1cc(Br)ccc1OCc1ccccc1)c1ccccc1 514250897 AOWDZEAROKLOMB-ZVHZXABRSA-N 440.366 5.112 30 10 IKEE COc1ccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1Cl 526488694 MBADCPHAQTYESF-JOCHJYFZSA-N 434.854 5.417 30 10 IKEE CC(C)COc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)cc2)c1 526743685 CRHHQIQYSKTYJL-DEOSSOPVSA-N 445.490 5.643 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(F)ccc2F)c1 526744969 VRFFUVSOGMHQCB-HSZRJFAPSA-N 449.453 5.537 30 10 IKEE CCCOc1ccc(/C=N\n2cnnc2SCc2ccc(C(C)(C)C)cc2)cc1OC 526806255 XQLMULKIJXCADL-YSMPRRRNSA-N 438.597 5.548 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccc(OC)c(O)c1Cl 526807157 KXEJQWGGSRVISS-YVNNLAQVSA-N 437.352 5.036 30 10 IKEE CC(=O)ON=C(C)[C@@]12C[C@@H]1C[C@@H]1[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C 607747292 GGQIDQJAIYDGEX-YBKQAGBYSA-N 427.585 5.436 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CSCCC1(C)C 698455072 BSDGDJUNRIUNEN-LJQANCHMSA-N 425.392 5.616 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@@H]2CCCCN2C(=O)OC(C)(C)C)c1 698470838 WCNYNGJASFXOAN-CPJSRVTESA-N 443.588 5.808 30 10 IKEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@H](C#N)c1ccc(Br)c2cccnc12 698827409 IGFWJBBCWLLBJC-CQSZACIVSA-N 444.251 5.361 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@](C)(C#N)c1cc(Br)ccc1F 698868692 JYCZNQFKWQSRCV-HXUWFJFHSA-N 437.284 5.908 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CC[C@H]2COCC[C@H]2C1 723660602 ATTJTFNDUVHDKR-CKJXQJPGSA-N 435.362 5.290 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)SC1=Nc1cccnc1 1772732073 SVDAVDMSJIDYNU-YNMBWQPYSA-N 434.477 5.182 30 10 IKEE O=C1/C(=C\c2cc(Cl)ccc2O)SC(=NN=Cc2ccccc2)N1Cc1ccco1 1772757337 DAGVJYYTVJQEMV-JQTCHMLUSA-N 437.908 5.145 30 10 IKEE COc1cccc(-n2cc(/C=N\NC(=S)Nc3ccc(C)cc3)c(-c3ccccc3)n2)c1 1857809759 YBESGGPXIKNUFI-QQXSKIMKSA-N 441.560 5.177 30 10 IKEE Cc1cccc(-n2cc(/C=N\NC(=S)Nc3cccc(Cl)c3)c(-c3ccccc3)n2)c1 1857810255 YFZXFORNEBOWPT-YSMPRRRNSA-N 445.979 5.822 30 10 IKEE Cc1cccc(NC(=S)N/N=C\c2cn(-c3ccccc3F)nc2-c2cccs2)c1 1857810807 QZBCSNXFUHYPCG-CFRMEGHHSA-N 435.553 5.369 30 10 IKEE Cc1ccc(NC(=S)N/N=C\c2cn(-c3ccccc3)nc2-c2ccc(C)c(C)c2)cc1 1857811062 JJZNRAJGWQWQRT-YUMHPJSZSA-N 439.588 5.785 30 10 IKEE CCOC(=O)c1sc(NC(=O)c2ccc(-c3ccc(C)cc3C)nc2C)c(C#N)c1C 1859757885 QASNTGBPRKYAMB-UHFFFAOYSA-N 433.533 5.344 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cc2ccccc2[nH]1 1861386300 AGNXEKOPBDCJLV-HSZRJFAPSA-N 437.559 5.125 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)c1ccc(-n2cccc2)cc1 1861774001 UAWMDDINPLRYBA-AREMUKBSSA-N 425.617 5.633 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@H]2c2ccc(F)cc2)cc1 1862411736 NWZUNHRWIGVWIP-JOCHJYFZSA-N 437.417 5.191 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)cc1 1862413162 XDWGTOKQNPWDRN-UPKQVVFYSA-N 425.475 5.430 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 1862478678 NUWOSXILSYQPEI-HSZRJFAPSA-N 448.519 5.594 30 10 IKEE CCN(CC)CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccccc1 1862486990 PRXFIBUYEMWZRG-DEOSSOPVSA-N 434.580 5.004 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862505015 IKVRAIOIDHKFMD-QHCPKHFHSA-N 437.555 6.200 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccc(F)cc2)cc1 1862529785 JZSYYXIICMCWFL-DEOSSOPVSA-N 433.523 5.857 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2cccc(C)c2)cc1 1862532227 GGNNVWZEBLVJIY-VWLOTQADSA-N 443.518 5.518 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(C(C)C)cc1 1862561261 ROOXKUATDUKMIV-NOZRDPDXSA-N 448.607 6.329 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(C)cc1 1862625810 OABCHSQHRCJIDW-GBXCKJPGSA-N 449.547 5.661 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862672360 BHYKACWLAXXTSE-DEOSSOPVSA-N 433.523 5.857 30 10 IKEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(C)cc2)cc1 1862674335 MBAPIDIVJXVJDG-XDHUDOTRSA-N 445.490 5.482 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2ccccc2F)cc1 1862688409 WBNFMCOQGMVFBZ-DEOSSOPVSA-N 445.490 5.045 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(F)cc3)C2=O)cc1Cl 1862766964 PFVULQXWLJELPF-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(OC)c2)=C(c2ccc(Cl)cc2)C1=O 1863165409 FAWGMJAVPBNRBA-UHFFFAOYSA-N 440.971 5.901 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C)c(Cl)c2)=C(c2ccccc2F)C1=O 1863296071 AHULFVSRNRZXSG-UHFFFAOYSA-N 442.962 6.340 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(Nc3ccc(C#N)cc3)=C(c3cc(C)ccc3C)C2=O)c1 1863402048 NVAHOHVHJXCMMC-UHFFFAOYSA-N 435.527 5.184 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccccc2Cl)C1=O 1863445891 MYHSFEFTCKLZHN-IBGZPJMESA-N 435.955 5.763 30 10 IKEE CCCCCCCCNC1=C(c2ccc(C)cc2)C(=O)N(Cc2ccccc2Cl)C1=O 1863615051 LXBKICJQDWMQLN-UHFFFAOYSA-N 438.999 5.879 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccccn2)=C(c2ccc(OCCC)cc2)C1=O 1863685621 QHGBRHGBOZOAGF-UHFFFAOYSA-N 449.595 5.101 30 10 IKEE CCCCCOc1ccc(/C=C(/C(=O)N(CCC#N)C2CC2)c2ccccc2)cc1OC 1866310899 WGLUIQDJNOUROQ-LYBHJNIJSA-N 432.564 5.709 30 10 IKEE CCCC[C@H](NC(=O)C[C@@H](CC(C)C)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)cc1 1867105629 WQAINWCCVPZUJP-QPPBQGQZSA-N 437.559 5.531 30 10 IKEE CCCc1nc(Nc2ccccc2C#N)cc(N2CCC(Oc3cccc(Cl)c3)CC2)n1 1868398113 IYSGBDIUFZTVLG-UHFFFAOYSA-N 447.970 5.746 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)/C=C/c2ccc(C)cc2)n(-c2cccc(Cl)c2)n1 1870000882 ZUJFRHQPFGOGMI-BUHFOSPRSA-N 433.943 5.059 30 10 IKEE C#CCOc1cn(CCc2c[nH]c3ccccc23)c(CSc2ccc(C)cc2)cc1=O 1870299187 ZKEYHIQUNLDRHK-UHFFFAOYSA-N 428.557 5.185 30 10 IKEE C=CCOc1cn(CCc2ccc(C)cc2)c(CN(CCCC)CCCCCC)cc1=O 1870386120 ARFXDNAHBGOPTB-UHFFFAOYSA-N 438.656 6.147 30 10 IKEE C=CCOc1cn(CCc2c[nH]c3ccccc23)c(CNc2cc(C)ccc2C)cc1=O 1870809014 LOXAUARKNYVJCJ-UHFFFAOYSA-N 427.548 5.366 30 10 IKEE C=CCOc1cn(Cc2ccc(Cl)cc2)c(CNc2ccc(Cl)cc2C)cc1=O 1870813275 DLBRDRRKOUCUPL-UHFFFAOYSA-N 429.347 5.689 30 10 IKEE CCCCCCCCCCn1cc(OCCC)c(=O)cc1CNc1ccc(Cl)c(C)c1 1871106849 XTPGWSAYIJWGCQ-UHFFFAOYSA-N 447.063 7.352 30 10 IKEE Cc1cc(OC(=O)/C=C/c2ccc(F)cc2)cc2c1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O2 1871365845 HCMATIKHUVJBHY-JEUHMODBSA-N 445.402 5.277 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2Cl)C3=O)c1 1871387498 YOKNRGYGBHEJNE-HMAPJEAMSA-N 434.875 5.883 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OCCC(=O)Nc3ccc(C)cc3)ccc2C1=O 1871431268 MCHIJVSMZRSVFI-IWIPYMOSSA-N 429.472 5.027 30 10 IKEE Cc1cc(Cl)ccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O 1871454338 KPMZSAWECLKQNK-JJFYIABZSA-N 437.854 5.421 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(C)cc2)[nH]c(N2CCCCCC2)n1 1871479498 WOEWYMKAEAZILG-UHFFFAOYSA-N 438.664 6.279 30 10 IKEE C=CCN=c1nc(Nc2ccc(Br)c(C)c2)[nH]c(N(CCCC)CCCC)n1 1871580318 WJKPVSVMSGUWEV-UHFFFAOYSA-N 447.425 5.113 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C(C)C)cc1)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1871851396 NEYCVVRZGSGUGE-GBXCKJPGSA-N 442.625 5.430 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccccc3C(C)C)n2)cc1 1872769981 FKEAWWNUJNDFLK-XMSQKQJNSA-N 448.588 6.366 30 10 IKEE COc1ccc(C)cc1-c1csc([C@H](C#N)C(=O)CCCOc2c(C)cccc2C)n1 1872770950 IRJMNEXQTIWGSL-HXUWFJFHSA-N 434.561 5.779 30 10 IKEE COc1c(Cl)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)CCOc2ccccc2)n1 1872778428 KYWDWMKIRSLBLT-MRXNPFEDSA-N 447.343 5.771 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)CCCOc3ccccc3)n2)cc1C(C)C 1872779652 OBTOJUCEDMJSGM-QFIPXVFZSA-N 448.588 6.286 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(Cl)ccc3Cl)n2)c(OC)c1 1872783521 BNGKEXOZDOLCMA-OAHLLOKOSA-N 433.316 5.624 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@@H](C#N)C(=O)CCOc2ccccc2)n1 1872786550 MXVFSIQESLPYMY-KRWDZBQOSA-N 426.925 5.426 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)Cc3cc(Cl)ccc3Cl)n2)cc1C 1872787607 NLZUKASRUMIZQT-QGZVFWFLSA-N 445.371 6.161 30 10 IKEE CCCCCCCCNC1=C(c2c(C)cc(C)cc2C)C(=O)N(Cc2cccnc2)C1=O 1873120831 GVNBTYKWHXBITK-UHFFFAOYSA-N 433.596 5.237 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H](CC)CCCCC)=C(c2ccc(F)cc2)C1=O 1873137732 MIPFGJMEIGHFQE-QFIPXVFZSA-N 430.608 6.215 30 10 IKEE CCCCCCCCN1C(=O)C(NCC(C)C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873167271 ZBABWCMOGNTFKH-UHFFFAOYSA-N 449.639 5.780 30 10 IKEE CCOc1cc(/C=N/Nc2oc(-c3ccc(C)cc3)nc2C(=O)OC)ccc1OC(C)C 1873462084 NHBJTJSTWUOVQK-AFUMVMLFSA-N 437.496 5.069 30 10 IKEE CCCCCCCCCCNC(=O)c1cc2c(N3C[C@@H](C)C[C@H](C)C3)ncnc2n1C 1873568892 XZIFXTRPWMXBPW-PMACEKPBSA-N 427.637 5.321 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(OCc3ccccc3)cc1)n2CC=C 1873614817 DMGQKLCFDSBQGY-UHFFFAOYSA-N 439.519 5.047 30 10 IKEE CCCSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1cccc(F)c1 1874209140 DTIYWZDWCPYZJY-LPYMAVHISA-N 433.350 5.155 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2OCC)n1/N=C/c1ccc(F)cc1F 1874240949 HMVVFEVAAPSXJK-BRJLIKDPSA-N 444.507 5.084 30 10 IKEE Oc1cccc(/C=N/n2c(CCc3ccc(Cl)cc3)nnc2SCc2ccccc2)c1 1874282819 AUIHIGAMHQISNB-WGOQTCKBSA-N 448.979 5.597 30 10 IKEE CCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc(Cl)cc1Cl 1874339705 IBIXQRKVNHMSNL-SSDVNMTOSA-N 425.772 5.823 30 10 IKEE Cc1cccc(/C=N/n2c(Cc3ccc(C)c(C)c3)nnc2SCc2ccc(F)cc2)c1 1874357733 WVOIPZYUJWJDCA-LQKURTRISA-N 444.579 6.108 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2)n1/N=C/c1sccc1C 1874362467 GNYNZHWGTPSHSU-PCLIKHOPSA-N 432.618 5.916 30 10 IKEE COc1cccc(/C=N/n2c(Cc3ccc(C)cc3)nnc2SCc2ccccc2F)c1 1874389372 OBTANJPPIQPKAG-JVWAILMASA-N 446.551 5.500 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc4ccccc34)n2/N=C/c2ccco2)cc1 1874390223 BCKHHSCUYPJNKV-WPWMEQJKSA-N 438.556 6.098 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2Cl)n1/N=C/c1cccs1 1874395065 CKUUDCDPMHROCY-HUSFYUSLSA-N 439.009 6.319 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C/c2ccccc2F)cc1 1874396653 NTCQPSUJAGULEE-WPWMEQJKSA-N 430.552 5.685 30 10 IKEE Cc1ccccc1/C=N/n1c(CCc2ccccc2)nnc1SCc1cccc(F)c1 1874402392 XIDSDKGCXYRIPJ-WPWMEQJKSA-N 430.552 5.685 30 10 IKEE Cc1ccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccc(N(C)C)cc2)cc1 1874405206 LVSYXFXFOONITE-OVVQPSECSA-N 447.652 5.950 30 10 IKEE Cn1cccc1/C=N/n1c(SCc2cccc3ccccc23)nnc1-c1cccs1 1874424154 XDBXIKKPRWMMBZ-BUVRLJJBSA-N 429.574 5.673 30 10 IKEE Clc1cccc(Cl)c1/C=N/n1c(SCc2ccccc2)nnc1-c1ccccc1 1874428040 OIEGVXZFUMQNLS-AFUMVMLFSA-N 439.371 6.426 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2ccccc2C)nnc1C(F)(F)F 1874458308 GVDNAXFVKGNCRF-DHRITJCHSA-N 434.487 5.569 30 10 IKEE Cc1cccc(CSc2nnc(CC(C)C)n2/N=C/c2ccc(Cl)c(Cl)c2)c1 1874489438 RPKDFSMFMPCXDI-WYMPLXKRSA-N 433.408 6.266 30 10 IKEE Clc1cccc(Cl)c1/C=N/n1c(SCCc2ccccc2)nnc1C1CCC1 1874495944 MRGGEEBLIUKSOH-ZVHZXABRSA-N 431.392 6.069 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2)nnc1C1CCC1 1874496729 BCKUGTTVISAAPD-MFKUBSTISA-N 438.984 5.938 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc(N(CC)CC)cc1 1874508105 MEHRQJRCKHJCFJ-PCLIKHOPSA-N 442.032 5.905 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2c(F)cccc2Cl)nnc1C(C)C 1874514489 ANEMBBKGNLIBOE-DHRITJCHSA-N 446.979 6.157 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1 1874572936 MXFVBGIAEPSTKX-DHZHZOJOSA-N 445.773 7.684 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2cccc(C)c2C)cc1 1874573475 PWFXZVVYAYWWJX-VHEBQXMUSA-N 441.571 6.560 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 1874584588 WFOZPTLNNNEJMB-RVDMUPIBSA-N 445.515 6.376 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2c(OCCCO)ccc3ccccc23)cc1Cl 1874590787 UFRZOFDPVBHFPS-CMDGGOBGSA-N 431.315 5.813 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)c(Br)c1OCCCO 1874598048 QVUIEVYRBZQOAO-PKNBQFBNSA-N 433.342 5.238 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OCC(=O)Nc2ccc(F)cc2)c1 1874601078 RTDQUZSFFGUQTB-VZUCSPMQSA-N 439.870 5.401 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OCC 1874611496 LNGKWTLPTCOUNM-WYMLVPIESA-N 439.552 5.017 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3F)c([N+](=O)[O-])c2)cc1Cl 1874636376 XYGKVCIHUVTWJL-RMKNXTFCSA-N 441.842 5.871 30 10 IKEE C=C(C)COc1c(OCC)cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] 1874638179 LOVGPZAUXQNUPA-VMPITWQZSA-N 436.291 6.151 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(Cl)cc3)c2)c(OC)c1 1874700628 CWFBTBBOVYBLBU-AWNIVKPZSA-N 436.891 5.401 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(F)cc3F)c2)cc1 1874701578 ZMRGWRMZBJNOGN-UUILKARUSA-N 438.426 5.487 30 10 IKEE CCCCCCCCC(=O)Oc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)ccc1OC 1874707281 YEBXRERTKKSVRY-SDNWHVSQSA-N 442.527 6.395 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3ccc(Cl)cc3)c2)cc1 1874709301 ADMILZGKQIPZGK-GIDUJCDVSA-N 434.919 6.344 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC(=O)Cc2cccs2)c1 1874710136 UUQGGDHNRIHMCS-ZRDIBKRKSA-N 434.557 6.098 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OC(=O)c1ccc(C(C)(C)C)cc1 1874710333 XIUJJQXHAVIFGE-PJQLUOCWSA-N 432.491 6.247 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1OC(=O)c1sccc1C 1874712278 DAAWESSPYRFCAW-RMKNXTFCSA-N 436.529 5.806 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cc(C)ccc3C)c(OC)c2)c1 1875104224 MGABXELTXRKIBB-ZRDIBKRKSA-N 430.500 5.365 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3Cl)cc2[N+](=O)[O-])c1 1875113653 RKKJATWEAMYAOV-VQHVLOKHSA-N 435.863 5.980 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Br)c2)ccc1OC(=O)C1CCC1 1875115839 YEJPPUJKFJTBMH-PKNBQFBNSA-N 429.310 5.449 30 10 IKEE O=C(COc1ccccc1)Oc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1Cl 1875121172 CXUNFSITTLBZMH-PKNBQFBNSA-N 427.283 5.874 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)C3CC3)c(OC)c2)cc1OCCC 1875123050 AEWNTLXCWBSNCG-IZZDOVSWSA-N 438.520 5.484 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3F)c(Cl)c2)cc1 1875129573 JBBKIVINTXIFLE-NTUHNPAUSA-N 438.882 5.922 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(C)c(C)c3)c(Cl)c2)c(C)c1 1875131720 KXASWPZTTBGHKR-YRNVUSSQSA-N 448.946 6.454 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OCC(C)C)cc3)cc2)ccc1F 1875140990 IADGFTZVHDTOEZ-GIDUJCDVSA-N 432.491 6.284 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)c1ccc(CC)cc1 1875158842 PQQHSSVEBQRBSF-CXUHLZMHSA-N 444.502 6.241 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)CCCSC 1875183888 YHRAADZQLRDHEA-PKNBQFBNSA-N 426.578 5.955 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@H](C#N)[C@@]1(C)CCCN1C(=O)OC(C)(C)C 1880102091 PVURBNMGOFKVIL-YADARESESA-N 429.561 5.105 30 10 IKEE C#Cc1c(C)c(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c(C(=O)OC)c1C 1887514518 LPYXWYBYHYMXTJ-UHFFFAOYSA-N 439.511 5.741 30 10 IKEE Cc1cc(Nc2ccc(NC(=O)c3ccc(C#N)cc3F)cc2)nc(NC2CCCCC2)n1 1891429375 KBDBZRRGPKLLOA-UHFFFAOYSA-N 444.514 5.536 30 10 IKEE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(C#N)ccc1C 1901483552 OZGLXLWSEOQWAL-XMMPIXPASA-N 439.515 5.123 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C1(C)C 2005327916 GMROTMNADIHLOT-BXKMTCNYSA-N 429.561 5.261 30 10 IKEE CC(C)(C)OC(=O)N(CCCC(=O)NC1(C#N)CCCCCCC1)Cc1ccccc1 2010516014 MLJSBPJYQSXDJA-UHFFFAOYSA-N 427.589 5.327 30 10 IKEE Cc1nc(S[C@H](C)C(=O)C=C2N(C)c3ccccc3C2(C)C)n(C[C@H]2CCCO2)c1C 2040489802 HFMWTEOTWVTYJJ-RTBURBONSA-N 439.625 5.040 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCN(C(=O)OC(C)(C)C)C2(C)C)cc1 2068178683 PBAFMARUSSSXQS-RUZDIDTESA-N 443.588 5.808 30 10 IKEE CC#CCCC[C@H](NCCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2073676309 LKVAHJMBBBITBB-IGKIAQTJSA-N 442.644 5.392 30 10 IKEE Cc1ccc([C@@H](n2nc(C(C)(C)C)c(C#N)c2I)C(C)(C)C)cc1C 2078992166 KJLBGCIGCSAHJZ-GOSISDBHSA-N 449.380 5.909 30 10 IKEE Fc1cc(Cn2nc(Br)c(Cl)c2C(F)(F)F)cc(C(F)(F)F)c1 2079143512 KBAVXMUBSGVBRO-UHFFFAOYSA-N 425.529 5.524 30 10 IKEE Cc1ccc([C@H](C(C)C)n2nc(C(F)(F)F)c(C=NO)c2Br)c(F)c1F 2079954186 IXTKAEKFCUVBGY-ZDUSSCGKSA-N 440.210 5.305 30 10 IKEE CC[C@@H](c1c(C)cc(C)cc1C)n1nc(C2CCC2)c(C#N)c1I 2080012115 KSFCXDVKJDNEIW-KRWDZBQOSA-N 433.337 5.552 30 10 IKEE Fc1cccc(C(F)(F)F)c1-c1c(C(F)(F)F)nn(C(F)F)c1Br 2080761028 AJVDPSZMCBBBHR-UHFFFAOYSA-N 427.064 5.884 30 10 IKEE Fc1ccc(C(F)(F)F)c(-c2c(C(F)(F)F)nn(C3CCCC3)c2Br)c1 2080823021 GESGVCGNTUYDNG-UHFFFAOYSA-N 445.176 6.604 30 10 IKEE C=CCC1([C@@H](NC)c2cccc(Br)c2Cl)CN(C(=O)OC(C)(C)C)C1 2081412508 NBCZGSFIZSCASO-INIZCTEOSA-N 429.786 5.176 30 10 IKEE CCCCCC#CC[C@@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 2083432759 CUBADPUJGSDGGM-LOSJGSFVSA-N 444.660 5.829 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1cnn(C(F)F)c1 2120856895 XDCSEVIGPDPVOS-AWEZNQCLSA-N 427.249 5.047 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCC)c2cccc(Br)c2F)C1 2126625858 JMEGLWGARUVFHU-KRWDZBQOSA-N 427.358 5.100 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2ccc(C#N)c(Br)c2F)CCC1(C)C 2131946651 GITWZGNGVAUFCL-ZDUSSCGKSA-N 426.330 5.050 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](CNc2ccc(C#N)c(Br)c2)C(F)(F)CC1 2162283940 ICUIWKNYVSHJIM-AWEZNQCLSA-N 444.320 5.015 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(F)cc(CNc2ccc(C#N)c(Br)c2F)c1 2162384374 ZEPBXOMXZBILLO-UHFFFAOYSA-N 438.272 5.558 30 10 IKEE C#CCN(C(=O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1)C1CCCCC1 2180044294 SNRBXRXXRZTXCV-UHFFFAOYSA-N 435.362 5.204 30 10 IKEE C=CCC1([C@H](NCCC)c2ccc(Br)c(C)c2)CN(C(=O)OC(C)(C)C)C1 2192073986 XQBJSURSHOBFAJ-LJQANCHMSA-N 437.422 5.611 30 10 IKEE C=CCCC1([C@H](NCCC)c2ccncc2Br)CN(C(=O)OC(C)(C)C)C1 2281054858 BMTAFMAHHGVDSL-GOSISDBHSA-N 438.410 5.088 30 10 IKEE CCOC(=O)c1ccccc1OCc1cc(C=C2CCc3ccccc3C2=O)ccc1OC 2295959097 DTILEQJALOMGFN-UHFFFAOYSA-N 442.511 5.663 30 10 IKEE CN[C@H](C#Cc1cccc(Br)c1)c1ccc(NC(=O)OC(C)(C)C)c(C)c1 2296285808 FIHJCUHILBRZSZ-HXUWFJFHSA-N 429.358 5.417 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)c1cccc(NC(=O)OC(C)(C)C)c1 2296308596 KJGRIRDFSBNOER-FQEVSTJZSA-N 429.358 5.498 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H](CCC)CNC(=O)OC(C)(C)C 2296310646 MCVBECRLTYQTNE-AZUAARDMSA-N 437.422 5.110 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 2298483921 GXFXTYZPSWAELF-CFDUCQJRSA-N 433.593 5.142 30 10 IKEE CC(=C1SC(=Nc2ccncc2Cl)N(C2CCCCC2)C1=O)c1ccc(N)cc1 2314541824 CGNCFGQGGLFOPT-UHFFFAOYSA-N 426.973 5.644 30 10 IKEE Cc1c(OCc2ccc(F)cc2Cl)ccc2c1OC(=Cc1ccc(C(C)C)cc1)C2=O 2321862994 HFCKCHPMUNDVBE-UHFFFAOYSA-N 436.910 7.106 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2)Oc2c1ccc1c2CN(Cc2ccccc2Cl)CO1 2321958344 WXKBCBQLAYOKHX-UHFFFAOYSA-N 438.310 5.962 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(ccc4c3CN(Cc3ccco3)CO4)C2=O)cc1 2321962541 JKOCCZNWNCHFDZ-UHFFFAOYSA-N 430.504 5.094 30 10 IKEE CCn1cc(C=C2Oc3c(ccc4c3CN([C@@H]3CCCC[C@H]3C)CO4)C2=O)c2ccccc21 2322146233 VUHFDPMBDMOUEU-WZONZLPQSA-N 442.559 6.008 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3c(cc4c(c3C)OCN(C3CCCC3)C4)C1=O)cn2C 2322328343 GPJIHQQFNLMMSW-UHFFFAOYSA-N 444.531 5.206 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2ccccc2)cc1 2322401879 LWRRZAYRDQGIHQ-UHFFFAOYSA-N 447.962 6.596 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2cc(C)cc(C)c2)cc1 2322596095 ZYAMALBTBYKAFJ-UHFFFAOYSA-N 433.935 6.179 30 10 IKEE Cc1cc(OC(=O)c2ccc3c(c2)OCO3)cc2c1C(=O)C(=CC=Cc1ccccc1)O2 2322779941 YRKUKUOYNUBAER-UHFFFAOYSA-N 426.424 5.115 30 10 IKEE COc1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2sccc2C)C3=O)cc1 2323424270 MUTATEVSDTURQB-UHFFFAOYSA-N 432.497 5.609 30 10 IKEE O=C(COc1ccc(Cl)cc1)Oc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O 2323532345 OCKUUAATWZZYQF-UHFFFAOYSA-N 441.266 5.594 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc(OC)c1OCCCO 2324281286 KHYPFNNSHPPOQN-UHFFFAOYSA-N 434.488 5.153 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 2324456181 LUJXAGKYQUPLJC-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE CCOc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccccc2)C3=O)cc1 2324521861 LEPSFYPLAQBTPS-SFHVURJKSA-N 443.499 5.416 30 10 IKEE CCCCCCOC(=O)COc1ccc2c(c1C)OC(=Cc1ccc(Cl)cc1)C2=O 2325031346 GFSKIVXCWITGTJ-UHFFFAOYSA-N 428.912 5.767 30 10 IKEE Cc1cc(OCc2cccc3ccccc23)cc2c1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)O2 2325272563 ZLEKBIGAJROHLG-UHFFFAOYSA-N 437.451 6.252 30 10 IKEE COc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(Cl)cc4)cc(C)c3C2=O)cc1 2325513364 VQRFZIIFSSWXPC-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OCC(=O)Nc3cccc(Cl)c3)cc(C)c2C1=O 2325717617 YTUOEWWONDVQOD-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OC(=O)COc3ccc(C)c(C)c3)c2)c1 2325744304 DSIJSCBOCCBVSD-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1OC(=O)Cc1cccs1 2325757036 CIVDWMORZQTVHU-UHFFFAOYSA-N 436.529 5.426 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2cc(C=CC(=O)c3ccc(C)c(C)c3)ccc2OC)c1 2325759715 NDOQRUXVGRYVBG-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE COc1ccccc1CC(=O)Oc1cccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)c1 2325765565 QHHQSRFZZJSANM-UHFFFAOYSA-N 442.555 6.345 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1c(C)[nH]c2ccccc12 2326683442 UBNLWDPHNJCHCD-UHFFFAOYSA-N 428.565 5.457 30 10 IKEE COc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2ccc(F)cc2)cc1 2329288901 ILDAWGOHQUAXCC-UHFFFAOYSA-N 446.551 5.234 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3C)n2N=Cc2ccccc2)c1 2329488593 LLRXIUHVYAQEOB-UHFFFAOYSA-N 440.616 6.163 30 10 IKEE Fc1ccc(C=Nn2c(Cc3ccccc3F)nnc2SCc2ccc(F)cc2)cc1 2329703460 BXDVXJMLOITMTF-UHFFFAOYSA-N 438.478 5.461 30 10 IKEE Cc1cccc(C=Nn2c(SCc3cccc(C)c3)nnc2[C@H](C)c2ccccc2)c1 2330073554 OVEHLLYCYULNOJ-OAQYLSRUSA-N 426.589 6.221 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2cccc3ccccc23)n1N=Cc1cccnc1 2330124163 ITACTONXZNOWRO-FQEVSTJZSA-N 449.583 6.153 30 10 IKEE O=C(COCc1ccccc1)Oc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1 2330595187 IZWVWUXUZXFZBG-UHFFFAOYSA-N 448.518 6.372 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 2330621882 IVWRIAZDWJPZGJ-UHFFFAOYSA-N 431.444 5.038 30 10 IKEE Cc1ccsc1C=Nn1c(SCc2c(F)cccc2Cl)nnc1-c1ccccc1 2330707374 DJNFKMTWNIBSJZ-UHFFFAOYSA-N 442.972 6.282 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3ccccc3C)nnc2[C@@H]2CCCO2)c1 2330894597 LHHNNCYDVTYLFH-QFIPXVFZSA-N 436.581 5.401 30 10 IKEE CC(C)COC(=O)CSc1nnc(C2CCCC2)n1N=Cc1ccc(C(C)(C)C)cc1 2331092687 XEZAVTYYYIZOKQ-UHFFFAOYSA-N 442.629 5.407 30 10 IKEE FC(F)(F)c1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(Cl)cc1 2331142269 GSADSVREIUJUCQ-UHFFFAOYSA-N 431.270 5.778 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)Cc1ccc(Cl)cc1 2331163153 CIAXAKNSDIMCDZ-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OC(=O)Cc1cccs1 2331174116 VMKJFJBVDQSWKV-UHFFFAOYSA-N 426.921 5.844 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(N(C)C)cc3)c(Cl)c2)c(C)c1 2331222525 NVLCNAAVEKEMCM-UHFFFAOYSA-N 433.935 6.138 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H](C)c3ccccc3)c(Br)c2)cc1 2331273506 KSHPXILPBXDAHM-GOSISDBHSA-N 449.344 6.363 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCO4)cc2Cl)cc1C 2331437917 SRAHUEMTYYJBPC-UHFFFAOYSA-N 448.902 5.730 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1Cl 2331473217 URPUBYLVFPXDOW-UHFFFAOYSA-N 448.990 8.045 30 10 IKEE Cc1cccc(C=Nn2c(SCC(=O)Nc3cccc(C)c3C)nnc2C2CCC2)c1 2331489751 BZQFZEDPJHMERR-UHFFFAOYSA-N 433.581 5.084 30 10 IKEE Cc1cc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2Cl)ccc1F 2331520942 SGCACJVZEZRRSV-UHFFFAOYSA-N 426.846 5.971 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(F)c3)cc2)cc1 2331555171 GEFHRPFMPLOIEO-UHFFFAOYSA-N 438.426 5.244 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)CC(C)(C)C)c(OC)c2)c(C)c1C 2331612748 XCRWHQPBSHUQBF-UHFFFAOYSA-N 440.536 5.567 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)cc3)c(Cl)c2)c(C)c1C 2331613107 UGZAHNFSNNDWQE-UHFFFAOYSA-N 434.919 6.389 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)CCCOc1ccccc1 2331715131 FTCCOYJYZNHPAV-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3sccc3C)cc2)c2ccccc12 2331866023 LCXKCCWHAXQAJZ-UHFFFAOYSA-N 428.509 6.334 30 10 IKEE CC1(C)OB(c2cc(N(Cc3ccccc3)C3CCCC3)nc(C(F)(F)F)c2)OC1(C)C 2339595437 IYFCSUZNFMFTHI-UHFFFAOYSA-N 446.322 5.349 30 10 IKEE CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N/c1ccc2ccccc2c1 3013638 LCILTPXBLZCMHB-DIQLGICBSA-N 447.585 5.842 30 10 IKEE O=C(O)CSC1=N/C(=N\c2cccc(Cl)c2)C2(CCCCC2)N1c1ccccc1 13555256 HQVFQXPJCCONTP-GFMRDNFCSA-N 427.957 5.767 30 10 IKEE Cc1cc(C)c(/N=C2/S[C@@H](CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2C)c(C)c1 17084441 DKUIRAHKCVKKRS-ZURFJKDFSA-N 449.498 5.221 30 10 IKEE O=C1/C(=N/Nc2ccc([N+](=O)[O-])cc2)c2ccccc2N1Cc1ccc(Cl)cc1Cl 20615716 QCPCXGCTXYECRB-LKUDQCMESA-N 441.274 5.265 30 10 IKEE Cc1cccc(CSc2nnc(NN=C(Cc3ccccc3)Cc3ccccc3)[nH]2)c1 20908545 NJKNVYTZSMBNCU-UHFFFAOYSA-N 427.577 5.659 30 10 IKEE CCCOc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(Cl)c(Cl)c1)C2 21232685 CCHFRRHCXLEFME-NVXWUHKLSA-N 444.358 5.787 30 10 IKEE CCc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(OC(C)C)c(OC)c2)cc1 21233399 GVJGURVCOILTGX-RTWAWAEBSA-N 433.548 5.049 30 10 IKEE CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2O)cc1 21251409 LONUQOYJQIEJOO-WHLCRQNOSA-N 438.571 6.669 30 10 IKEE COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccc(F)cc2)cc1OC 28052539 IOCYXWBLZAIPPU-HJPURHCSSA-N 434.467 5.098 30 10 IKEE c1ccc([C@@H]2C/C(=N/N=C3/C[C@H](c4ccccc4)Oc4ccccc43)c3ccccc3O2)cc1 34095777 YRRHIUDRTJZIPK-JZYIAMRVSA-N 444.534 6.928 30 10 IKEE Cn1cc(/C(Cc2ccccc2)=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21 34847652 LRQSMSLRTBSDOL-NJNXFGOHSA-N 429.436 5.054 30 10 IKEE O=C(/C=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(NC(=O)c2ccco2)cc1 35568979 ZVAPKOOOZKQPFZ-QBFSEMIESA-N 428.400 5.596 30 10 IKEE C=CCN(Cc1csc(COc2cccc(C)c2C)n1)S(=O)(=O)c1ccc(C)cc1 36115362 OJBGOHQTYDYZMM-UHFFFAOYSA-N 442.606 5.024 30 10 IKEE C=CCOC[C@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C(C)C 36316271 GXQOPMXYECINIJ-HSZRJFAPSA-N 449.595 5.001 30 10 IKEE O=C(/C=C/c1ccco1)Nc1ccc(C(=O)/C=C/c2ccc(-c3cccc(Cl)c3)o2)cc1 39850898 QFQOCNRQOZOKAK-WZDZGYJVSA-N 443.886 6.741 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccc(Cl)cc1 40098229 SYYFNUGHTPTDKR-FQEVSTJZSA-N 439.895 5.473 30 10 IKEE C=C(C)C(=O)NCCCCCc1nc2ccccc2n1CCCOc1ccc(C)cc1C 40219799 TZZLHUPPEFVAES-UHFFFAOYSA-N 433.596 5.527 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O3)CN([C@@H](C)c1ccccc1)CO2 41645969 VXCWOBSWVBTAQC-ICODJCHTSA-N 442.471 5.433 30 10 IKEE O=[N+]([O-])c1ccc(N/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1 59535705 BMKMTJKVEHFOPK-LPYMAVHISA-N 426.270 5.382 30 10 IKEE CCCCCCCCCCCCCCCCNC(=S)NC(=O)COc1cccc(C)c1 100070257 CDUBSYBIAAQBQW-UHFFFAOYSA-N 448.717 6.846 30 10 IKEE CCCCCCCCCCCCCC(=O)Nc1cccc(C(=O)N2CCC(C)CC2)c1 100442635 MYIYFJQOFQIHEA-UHFFFAOYSA-N 428.661 7.198 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)S/C1=N/c1nccs1 101127963 OQTLQGJDOQWLKX-FREDXINFSA-N 446.897 5.199 30 10 IKEE O=C1C=C(O)C(Br)=C/C1=C\Nc1ccc2sc(-c3ccccc3)nc2c1 136137596 QDTXYCCXTZOQKR-ACCUITESSA-N 425.307 5.563 30 10 IKEE Cc1ccc(N/N=C/c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1 169877693 GFIPWUMERBPLHY-FKIVBMLTSA-N 430.555 6.797 30 10 IKEE O=S(=O)(N/N=C/c1c(Cl)ccc(Cl)c1Cl)c1ccc(Cl)c(Cl)c1 169902879 PTKTXUUQTWERPB-KPSZGOFPSA-N 432.543 5.266 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccc(C)cc2C)cc1 169925767 NJGWBJUQTRUBLR-DEOSSOPVSA-N 445.490 5.542 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccc(O)cc2)c1C 169961114 IGXOYEHBAYMTNR-RUZDIDTESA-N 427.500 5.111 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1cccc(C)c1 169970371 SBJIUCZFDAIYLE-DEOSSOPVSA-N 438.483 5.268 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(CC)cc3)[C@H]2c2ccccc2)c1 170047444 OPZQECJBOHFUBX-XMMPIXPASA-N 427.500 5.431 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1 170057674 PLKNGFIBDPEYCM-NRFANRHFSA-N 437.854 5.271 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 170063972 OAITWZBHNLQKOT-FQEVSTJZSA-N 443.808 5.540 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccccc2C)c1 170086234 ONPUYBCXSBGDLB-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccco2)cc1Cl 170092222 PFXHFXSCAZDIBR-FQEVSTJZSA-N 441.842 5.172 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccs2)cc1 170154346 VFJPIZLJMVNJQM-FQEVSTJZSA-N 439.558 5.377 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@H]1c1ccncc1 170202960 RANHBJBJDFYALR-QHCPKHFHSA-N 442.515 5.107 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2ccc(Cl)cc2)cc1 170236449 IZCLEBJYQCOYOV-JOCHJYFZSA-N 441.955 5.897 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccccc1F)c1cc2ccccc2o1 170246859 BBZRGPVHVFDKFG-OAQYLSRUSA-N 433.460 5.412 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cc(C)c(OC)cc3C)=C(O)C(=O)N2c2ccccc2)cc1 170265610 CFJYTUJQPDLVHT-VWLOTQADSA-N 441.527 5.657 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1c1ccc(C#N)cc1 170272791 GEMXIVFUWAWGMK-SANMLTNESA-N 444.490 5.803 30 10 IKEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccc1C 170277730 RBSHUOCEPAZQKD-RUZDIDTESA-N 442.559 5.068 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccco2)cc1C 170285076 OYWFXNIHTKJXOI-HSZRJFAPSA-N 431.488 5.386 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccco2)c1 170286675 ZOUFPVUJJDGVSB-IBGZPJMESA-N 444.270 5.378 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(C)o2)cc1C(C)C 170308194 GZPYXDBXCNNXFI-HSZRJFAPSA-N 437.536 5.631 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1Cc1cccnc1 170316987 LGXOMXVHLSPCSC-JOCHJYFZSA-N 440.524 5.383 30 10 IKEE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/Oc3cc(C)c(C)cc3C2=O)cc1 214011650 PWBPFYPWOPBAJD-WPWMEQJKSA-N 448.522 6.337 30 10 IKEE Oc1ccc2ccccc2c1C=Nc1ccc2oc(-c3ccccc3Br)nc2c1 252626213 QYLNPPAWMSGDOW-UHFFFAOYSA-N 443.300 6.867 30 10 IKEE COc1ccc(N=C2S/C(=C\c3ccc4c(c3)OCO4)C(=O)N2C2CCCCC2)cc1 252640075 YQOVKDKXADMPFV-OJVQYLDISA-N 436.533 5.361 30 10 IKEE CC(=Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N)c1ccc(-c2ccccc2)cc1 254588968 KLUDQUWQXNNFHQ-UHFFFAOYSA-N 438.530 8.293 30 10 IKEE Cc1cccc(N=C2Sc3nc4cc(C)c(C)cc4cc3CN2CCN2CCOCC2)c1 254746979 NYSVQHZAZUFJAQ-UHFFFAOYSA-N 446.620 5.088 30 10 IKEE COc1ccc(/C=C2/SC(=Nc3ccccc3)N(c3ccccc3)C2=O)c(OC)c1OC 254865936 YTGHUEQUAJYCOS-RZBQDWKBSA-N 446.528 5.521 30 10 IKEE CC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3C[C@H](O)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 256434199 IWNCBADONFSAAW-IZEATLJJSA-N 428.701 7.204 30 10 IKEE endogenous,in-man C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC(C(=O)Nc2ccc(F)cc2)CC1 508851227 YGMZFTXPIKCPKR-HSZRJFAPSA-N 447.558 5.000 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2c[nH]c3ccccc23)cc1 526486105 KGMFHUSDQRJNSL-SANMLTNESA-N 449.510 5.886 30 10 IKEE CC(C)COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccnc2)c1 526488820 QTIFNQDBTNTTRS-DEOSSOPVSA-N 425.488 5.045 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(C(C)C)cc2)c1 526490830 ZUKVHZMWPCGUKR-AREMUKBSSA-N 438.527 6.138 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3Cl)[C@H]2c2cccc(O)c2)cc1 526491821 RTBAIKGLZKJTNM-OAQYLSRUSA-N 437.282 5.628 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccc(OC)c2)cc1 526517134 TVABPPAEIBILHW-DEOSSOPVSA-N 426.472 5.023 30 10 IKEE Cc1ccc(COc2ccccc2/C=N\n2cnnc2SCc2ccccc2F)cc1 526802794 OBWSQZZJLARBEF-VYYCAZPPSA-N 432.524 5.479 30 10 IKEE CCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1ccc(N(C)C)cc1 526806323 SRHSXVCNWPMDEA-ONUIUJJFSA-N 435.641 5.769 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccc(OC)c(OC)c1 526812021 XLSYCSDFIUEQAK-QRVIBDJDSA-N 430.961 5.076 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1cccc(OCC)c1O 526817503 WNUUBRRHTYGGNZ-OYKKKHCWSA-N 444.988 5.553 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccccn2)c1 526819181 DFYFVHZGLNCCFJ-PKAZHMFMSA-N 427.577 5.250 30 10 IKEE COc1cc(/C=N\n2cnnc2SCc2cccc3ccccc23)cc(Cl)c1OC 526820563 VAZDPQWQRUOTSH-ROTLSHHCSA-N 438.940 5.276 30 10 IKEE CCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1ccc(O)c(Br)c1 526825174 MVHPRCFDZZFAIP-JJFYIABZSA-N 449.349 5.012 30 10 IKEE O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 585240381 XFNPEXDLZHWZLO-UHFFFAOYSA-N 439.277 5.525 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)c1 585880748 QHUWDPLDNBAULA-FQEVSTJZSA-N 438.547 5.090 30 10 IKEE N#Cc1cccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2Cl)c1 586173536 ZPERFNWKGSPAIM-UHFFFAOYSA-N 431.344 5.256 30 10 IKEE C=C1C[C@H]2CC(Nc3ccc(I)c(Br)c3)C[C@@H](C1)C2 697306875 NLNXIZUHFYLCCG-ONXXMXGDSA-N 432.143 5.601 30 10 IKEE CC(C)[C@@H]1CC[C@@H](C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 698497273 MFEMDNZBVTUBQZ-GTCCEBARSA-N 435.406 6.545 30 10 IKEE C[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)CCN1C(=O)OC(C)(C)C 698830765 LKNGYOXAVLKJOL-HJPURHCSSA-N 449.979 5.763 30 10 IKEE COc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)c(Br)c1 698849933 GBALUEPCKALKRP-GOSISDBHSA-N 435.293 5.603 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCc3ccc(Br)cc32)cc1 698905914 VUXFPJJVTDZTQC-JOCHJYFZSA-N 427.342 5.864 30 10 IKEE C[C@H]1[C@H]2CC[C@@H](C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1)N2C(=O)OC(C)(C)C 709311900 GUXLZQRVGQZJOW-DMEDLEQBSA-N 441.572 5.498 30 10 IKEE O=C1/C(=C\c2ccccc2[N+](=O)[O-])SC(=Nc2ccncc2Cl)N1C1CCCCC1 1772738146 SCYBIPRBKFLNQC-DGIAZZNKSA-N 442.928 5.580 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Sc2nc(O)c(C#N)c(-c3cccc(Cl)c3)n2)cc1 1860463823 VQXQRAIBJYUXJM-CYBMUJFWSA-N 438.940 5.056 30 10 IKEE O=C(CNCc1c(F)cccc1Cl)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1860717777 VHZMTLSYXRYYTH-UHFFFAOYSA-N 428.735 5.245 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)c1ccc2nc(CC)[nH]c2c1 1860957594 UCUCQLMQSPSEEO-NRFANRHFSA-N 428.621 5.281 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)CCc1ccc(Cl)cc1)[C@H](C)CC 1861110512 DEEMYEPVPJEDFC-HYBUGGRVSA-N 437.068 6.060 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(Cl)cc2)[C@@H]1c1ccccc1)c1ccccc1Cl 1862429953 YMDPFGCUTCVQCT-OAQYLSRUSA-N 438.310 5.772 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(OCC)cc1 1862436275 PDJKLARPKZIUNA-OAQYLSRUSA-N 427.928 5.507 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccccc2F)cc1 1862489804 HLUZOSHDKISQEL-DEOSSOPVSA-N 445.490 5.230 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccccc2C)c1 1862490215 QAKJMTPYCBWJPU-SANMLTNESA-N 439.555 6.007 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@H]2c2ccccc2)ccc1F 1862508207 YRZFVTLVGFVDAH-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3cccc(Br)c3)=C(O)C(=O)N2C(C)C)cc1 1862526822 KLCJQRWYHWZWSV-FQEVSTJZSA-N 442.353 5.559 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2cccc(O)c2)cc1 1862532751 JGRFZGCSSUJWIQ-DEOSSOPVSA-N 433.548 5.646 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2ccccc2Cl)c1 1862560525 JKZBSPCJNFCHOV-QFIPXVFZSA-N 432.907 5.009 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862582456 FFXZZMVWOVCLMW-VOJFVSQTSA-N 449.290 5.278 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862619008 LXACQBCANYIGLY-NRFANRHFSA-N 436.508 5.271 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2cccc(Cl)c2)cc1 1862660583 KHBBJFBZMLSFRU-IRLDBZIGSA-N 439.939 5.221 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862691997 ATTPPZGOMJTMSX-QHCPKHFHSA-N 435.564 5.761 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2ccc(F)cc2F)c1 1862701695 LISOQFBLYCXDLW-QHCPKHFHSA-N 449.453 5.060 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 1862748197 VSRHFUDWFWEFFF-QFIPXVFZSA-N 432.476 5.064 30 10 IKEE N#Cc1ccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(CCCc3ccccc3)C2=O)cc1 1863173788 PXKLBHBOSYNOBC-UHFFFAOYSA-N 441.918 5.036 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(Nc3ccccc3C#N)=C(c3cc(C)ccc3C)C2=O)cc1 1863409019 VMGJPPBQPWHKIF-FQEVSTJZSA-N 449.554 5.691 30 10 IKEE N#Cc1ccc(NC2=C(c3ccccc3Cl)C(=O)N(C3CCCCCCC3)C2=O)cc1 1863445968 OJITYCRHXMQQPD-UHFFFAOYSA-N 433.939 5.517 30 10 IKEE CCCCCCCCNC1=C(c2ccc(C)c(C)c2)C(=O)N(CCc2ccccc2)C1=O 1863600546 SLUUXSGTQMILLN-UHFFFAOYSA-N 432.608 5.576 30 10 IKEE N#Cc1ccc(NC(=O)[C@@H](NC(=O)CCCc2cccc(Cl)c2)c2ccccc2)cc1 1867124492 HKTZUTJIKRQPGQ-DEOSSOPVSA-N 431.923 5.031 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2F)c(=O)cc1CSC(C)(C)C 1870232005 XNSOEUNJRYFRES-UHFFFAOYSA-N 433.633 6.959 30 10 IKEE CCCCCCCCCCn1cc(OCCCCCCC)c(=O)cc1CSCCO 1870251288 BFMPVMGCKXZWDM-UHFFFAOYSA-N 439.706 6.564 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(C)cc2)c(CSc2ccc(C)cc2)cc1=O 1870260042 VYIVRKZYTFCHNY-UHFFFAOYSA-N 449.660 7.155 30 10 IKEE CCCCCCCOc1cn(CCCOCCCC)c(CN(CCC)CCC)cc1=O 1870410968 NKXMNJILZYXBDW-UHFFFAOYSA-N 436.681 6.026 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCCC)cn1C[C@H](c1ccccc1)N1CCCC1 1870665567 BPQKVQVQXMMHGO-AREMUKBSSA-N 449.639 5.038 30 10 IKEE CCCCCCCCCCn1cc(OCCCCCC)c(=O)cc1CN(CC)CCCC 1870673416 KITQSJJBDONRDK-UHFFFAOYSA-N 448.736 7.570 30 10 IKEE C=CCOc1cn(Cc2ccc(O)cc2)c(CNc2cc(Cl)cc(Cl)c2)cc1=O 1870813845 GTGSLRBLBUNDMO-UHFFFAOYSA-N 431.319 5.086 30 10 IKEE CCCCCCCCn1cc(OCCCCC)c(=O)cc1CNc1cccc(Cl)c1 1871130592 YNTGYPZZXFRSNM-UHFFFAOYSA-N 433.036 7.043 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(Cl)cc1)O3)CN(CCOc1ccccc1)CO2 1871346477 ILGKIDUNUORTQF-UCQKPKSFSA-N 447.918 5.496 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OC(=O)C4CCC4)cc(C)c3C2=O)c2cc(OC)ccc21 1871362493 HVGIVYABUOMLPB-KSEXSDGBSA-N 431.488 5.300 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OC(=O)/C(Cl)=C/c4ccccc4)c3C)C2=O)c1 1871377372 HXQQAZUWWNJYCI-NNCOSQCDSA-N 446.886 5.805 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OC(=O)/C=C/c3ccc(C(C)C)cc3)cc(C)c2C1=O 1871379675 JIAMADPUPWQTJY-DXDRQYPZSA-N 444.552 6.723 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc(C)c3C2=O)c1 1871383092 CMNFSNCZRKVIAO-FBHDLOMBSA-N 449.846 5.700 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)ccc3C2=O)cc1 1871383366 HGFZJKNHGCWIKF-FBHDLOMBSA-N 435.819 5.392 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)CCOc4ccccc4)cc(C)c3C2=O)cc1 1871384157 RALDCAWTYLMZQW-JLPGSUDCSA-N 444.483 5.384 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871410531 DCKFHKFRROIUIA-DNPFKWNUSA-N 447.918 5.925 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OCCOc3ccc(C(C)(C)C)cc3)cc(C)c2C1=O 1871414451 HVDDWUDOYJECOR-ONUIUJJFSA-N 442.555 6.675 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4cccc(C)c4C)c3C)C2=O)cc1 1871458900 FMNGGXVAOHXESA-OYKKKHCWSA-N 443.499 5.254 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(Cl)c(C)c2)[nH]c(N2CCCC2)n1 1871665499 VIGBJOSRAJAHMJ-UHFFFAOYSA-N 445.055 6.152 30 10 IKEE CC(C)(C)c1ccc(C(=O)[C@H](C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 1872763980 YPLGUBWRKHOCAG-SFHVURJKSA-N 439.378 6.360 30 10 IKEE N#C[C@H](C(=O)c1c(Cl)ccc(Cl)c1Cl)c1nc(-c2ccc(Cl)cc2)cs1 1872766944 QOGJJNGLSHGIPZ-LLVKDONJSA-N 442.154 6.914 30 10 IKEE COc1cc(/C=C/C(=O)[C@H](C#N)c2nc(C(C)(C)C)cs2)cc(Br)c1OC 1872768613 XUIUQUAEKKENLX-YBJDMEARSA-N 449.370 5.110 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(OCc4ccccc4)cc3)n2)cc1 1872769963 FAFREQWAQIPSIK-XMMPIXPASA-N 438.552 6.117 30 10 IKEE N#C[C@@H](C(=O)Cc1cc(Cl)ccc1Cl)c1nc(-c2ccc3c(c2)OCO3)cs1 1872772457 DLXIUKWDMZBJHM-AWEZNQCLSA-N 431.300 5.265 30 10 IKEE COc1ccc(OC)c(/C=C/C(=O)[C@@H](C#N)c2nc(-c3cccc4ccccc34)cs2)c1 1872775283 MUWLHEKNALCMJL-RSNBEDGSSA-N 440.524 5.870 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@H](C#N)C(=O)Cc3ccc(Cl)cc3)n2)c1 1872780164 BPTBAYLLVXKHSK-LJQANCHMSA-N 440.952 5.680 30 10 IKEE COc1c(Cl)cc(-c2csc([C@@H](C#N)C(=O)C(Cl)(Cl)Cl)n2)cc1Cl 1872786151 ZPAAHJBISMIGMU-ZETCQYMHSA-N 444.554 5.672 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)c(Cl)c2)cc2c(NCCCOCC)ncnc21 1873605035 GJJSWTAUFZZPCY-UHFFFAOYSA-N 448.354 5.015 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(OCCCC)cc2)cc2c(N3CCC[C@H](C)C3)ncnc21 1873657793 PFBABHXSOSNJFG-IBGZPJMESA-N 447.583 5.285 30 10 IKEE CCCOc1ccc(/C=N/n2c(COc3cc(C)c(Cl)c(C)c3)nnc2SC)cc1 1874215586 UAKODCDHBDUXDB-ZMOGYAJESA-N 444.988 5.520 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1cccc(OCC)c1 1874231242 ZVUGEBGDMALRBV-ZVHZXABRSA-N 444.988 5.602 30 10 IKEE C=CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccc(F)cc1F 1874244996 SWTKMQLYEYHDBL-VULFUBBASA-N 428.552 5.476 30 10 IKEE Fc1cccc(CSc2nnc(Cc3cccc4ccccc34)n2/N=C/c2ccc[nH]2)c1 1874270771 NSRVDCOJEQNOGZ-LQKURTRISA-N 441.535 5.664 30 10 IKEE CCCSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1ccccc1OC(C)C 1874321463 SOEVGFKUNIHOQY-MFKUBSTISA-N 438.597 5.645 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3cccs3)n2/N=C/c2cccc(O)c2)c1 1874371081 HODUSMIFGWCVFI-MFKUBSTISA-N 448.617 5.622 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc[nH]1 1874376668 HTBMIUYTSUCTLQ-LQKURTRISA-N 441.535 5.664 30 10 IKEE Fc1ccccc1CSc1nnc(CC2CCCCC2)n1/N=C/c1cccc(Cl)c1 1874408064 FBUZIRPFJIFSSL-CVKSISIWSA-N 442.991 6.368 30 10 IKEE Fc1ccc(CSc2nnc(Cc3cccs3)n2/N=C/c2ccc(F)cc2F)cc1 1874410487 WAVZPVSIANMIDI-BRJLIKDPSA-N 444.507 5.522 30 10 IKEE COc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2cccc(F)c2)cc1 1874418008 YRGMCGVQIXSSBY-WGOQTCKBSA-N 432.524 5.191 30 10 IKEE Cc1ccsc1/C=N/n1c(Cc2ccccc2)nnc1SCc1ccc(Cl)cc1 1874419113 YYGYDKMZGSDUBS-ZVHZXABRSA-N 439.009 6.067 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2-c2cccs2)cc1 1874425451 JUSZOYQDFWDNSU-WYMPLXKRSA-N 442.972 6.282 30 10 IKEE O=[N+]([O-])c1ccc(/C=N/n2c(SCc3ccccc3F)nnc2-c2ccccc2)cc1 1874428170 VKDTWUVHMKTKIP-ZVHZXABRSA-N 433.468 5.167 30 10 IKEE FC(F)(F)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccccc1 1874463218 YCUZCOGEFHZZPB-NUGSKGIGSA-N 431.270 5.778 30 10 IKEE FC(F)(F)c1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccco2)cc1 1874467060 PTOPODAMFFGSOZ-DHRITJCHSA-N 428.439 5.731 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1/N=C/c1ccccc1C 1874475310 SXTRYNAEDGCNQN-MFKUBSTISA-N 435.597 5.159 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2cc(C)ccc2C)nnc1C(C)(C)C 1874484389 SXOPBLGQHFTZFS-WGOQTCKBSA-N 436.625 6.156 30 10 IKEE CCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874503676 UVHSBFFARLSOJP-WYMPLXKRSA-N 449.458 5.332 30 10 IKEE COc1ccc(OC)c(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C(C)C)c1 1874515766 OYAGENJBEJFPPJ-FSJBWODESA-N 430.961 5.247 30 10 IKEE Sc1nnc([C@H]2CCCO2)n1/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 1874560398 VUGVZZFASWVBSZ-TYLRVVQJSA-N 449.363 5.186 30 10 IKEE CCOc1ccc(OCc2nnc(S)n2/N=C/c2cccc(Oc3ccccc3)c2)cc1 1874567567 DWWJNZLLGKAIJT-PCLIKHOPSA-N 446.532 5.219 30 10 IKEE O=C(/C=C/c1c(OCc2cccc(Cl)c2)ccc2ccccc12)c1ccc(F)c(F)c1 1874585128 NOCHTXOVJJKIIM-ZRDIBKRKSA-N 434.869 7.247 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccccc2Cl)c(OC)c1 1874587979 NZTXTDCJDCSVAU-YRNVUSSQSA-N 443.326 6.486 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Cl)c(OCc3ccccc3C)c(OC)c2)cc1 1874606462 OUOFQOFCVDIUOD-DTQAZKPQSA-N 448.990 7.475 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OCC(=O)Nc2cc(C)ccc2C)c(Cl)c1 1874610267 JTSUTULQMSNEAD-ZRDIBKRKSA-N 449.934 5.879 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OCC(=O)Nc1cccc(C)c1 1874625155 OIGRQCCNUAGTAG-RIYZIHGNSA-N 443.543 6.041 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc(F)c2)c(Br)c1)c1ccc(F)cc1 1874625301 WQDQDTRWDSOBKK-ONNFQVAWSA-N 429.260 6.202 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3F)c(Cl)c2)c2ccccc12 1874638319 UALHNFPCWDZRAB-JLHYYAGUSA-N 446.905 7.116 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)c1ccccc1Cl 1874693071 LWMKWBRKOKWLEI-PKNBQFBNSA-N 437.835 5.372 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCCOc3ccccc3C)c2)cc1 1874694817 VMFNZHSXZGMODO-OBGWFSINSA-N 428.528 6.218 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cc(Cl)ccc3OC)c2)cc1C 1874696071 HAWZFGXJKUWRDY-JXMROGBWSA-N 436.891 5.781 30 10 IKEE CCCCCCOc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccccc3)c2)cc1 1874700535 YKMXHRWYKMRFFC-XMHGGMMESA-N 428.528 6.761 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)c(F)c3)c(OC)c2)cc1C 1875108942 NZBOOJXLHHSZON-RUDMXATFSA-N 438.426 5.406 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(OC)c1OC(=O)CCCSC 1875111857 RASVGTFMGJZCEY-ZHACJKMWSA-N 434.941 5.302 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)Cc1ccc(F)cc1F 1875134525 WLEOCFHJLITDMO-BJMVGYQFSA-N 436.454 5.634 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1Cl 1875153847 AXTGHVFEAXCRJL-GXDHUFHOSA-N 444.889 6.677 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCOc3ccccc3)cc2)cc1Cl 1875187151 MEMUDBQNAKFOBI-UKTHLTGXSA-N 436.891 5.619 30 10 IKEE CCCCCCCCCC[C@@H](NC)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1946523281 KYXWOUALXOSZGS-RPWUZVMVSA-N 434.665 6.215 30 10 IKEE CC(C)(C)OC(=O)Nc1ccccc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2031834304 LGGINXDVKKYTJB-FQEVSTJZSA-N 441.503 6.179 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@H](C#N)c1c(Cl)cccc1Br 2033938520 SXNJZTWAFQSMCX-HNNXBMFYSA-N 441.778 6.166 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CC[C@@H](CCNC(=O)OC(C)(C)C)C2)c1 2037231084 JAENMOYCAZLGJV-UQBPGWFLSA-N 443.588 5.714 30 10 IKEE N#CCCn1cc(C=CC(=O)N2CCC(c3nc4ccccc4s3)CC2)c2ccccc21 2040436061 DBEBMEDFGOSAFN-UHFFFAOYSA-N 440.572 5.584 30 10 IKEE COc1ccc(C(=O)C=Cc2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)cc1 2053499126 ZOTOCPNECSZKGW-UHFFFAOYSA-N 425.444 5.352 30 10 IKEE CC(C)[C@H]1CC=C(C(=O)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)CC1 2061189536 OLMRXYDEWZSIDG-CUNXSJBXSA-N 441.612 5.782 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)c1 2066218167 ICRDMPREWMSVPK-KOSHJBKYSA-N 445.560 5.022 30 10 IKEE Cc1ccc([C@H](C(C)C)n2nc(C3CCC3)c(C#N)c2I)cc1F 2079126602 AOHVSKFCSUKQTF-SFHVURJKSA-N 437.300 5.320 30 10 IKEE CC(C)c1cc(C(F)(F)F)ccc1-n1nc(C#N)c(Br)c1C(F)(F)F 2079175380 JWQZWCYBQLGWFC-UHFFFAOYSA-N 426.158 5.667 30 10 IKEE CCc1nn([C@@H](c2ccc(C(F)(F)F)c(F)c2)C2(C)CC2)c(Br)c1C=NO 2079972761 ZITHEUODTGSDSF-HNNXBMFYSA-N 448.258 5.564 30 10 IKEE CC[C@H](c1ccc(SC)cc1)n1nc(C(C)C)c(C#N)c1I 2080106031 SAQAJYIMGCXPEY-OAHLLOKOSA-N 425.339 5.204 30 10 IKEE Cc1c([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)c(Br)nn1C 2131582855 VXIJOEJTBOTACA-AWEZNQCLSA-N 439.741 5.151 30 10 IKEE C=CCCCCCC[C@H](NC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2141917938 AAGKOZJMYOVBGT-SFHVURJKSA-N 425.411 6.583 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CC12CCC(Nc1ccc(C#N)c(Br)c1)CC2 2158250695 LQQJVDQRBNFMRV-IZINQKCZSA-N 434.378 5.206 30 10 IKEE C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNc2cc(Br)ccc2C#N)cc1 2162317200 YFIAXGQUQLRAMW-AWEZNQCLSA-N 430.346 5.519 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCC(F)(F)CC1(C)C 2165012102 BXQAZYUFVQNUIQ-LJQANCHMSA-N 443.332 6.298 30 10 IKEE COc1cc(Br)ccc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2165551730 QLTKNYQCPFOSHI-QGZVFWFLSA-N 435.293 5.603 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H](Nc1cc(Br)cc(F)c1C#N)c1ccccc1 2179669809 OKGINVFWTQBVFK-GOSISDBHSA-N 434.309 5.138 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(Br)cc2C#N)CC12CCCC2 2194602088 ZXEGTQUWZYYQTP-QGZVFWFLSA-N 434.378 5.445 30 10 IKEE C[C@H](c1ccccc1Oc1cc(Br)cnc1C#N)N(C)C(=O)OC(C)(C)C 2198833230 CYKWGCWQPMUXKQ-CYBMUJFWSA-N 432.318 5.436 30 10 IKEE CCCCC#CC[C@@H](NCCC)c1ccc(Br)cc1I 2207270698 CYLVAKCMNLVUDH-QGZVFWFLSA-N 448.186 5.678 30 10 IKEE CN[C@H](C#Cc1ccccc1Br)c1cc(C)ccc1NC(=O)OC(C)(C)C 2235730203 OKRNAGFHZMQFCV-LJQANCHMSA-N 429.358 5.417 30 10 IKEE CC[C@H](C)N(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2247887873 SMJCVZPRYSDCGL-KRWDZBQOSA-N 427.781 5.080 30 10 IKEE C=CCN(C[C@H](NCCC)c1cccc(Cl)c1Br)C(=O)OC(C)(C)C 2259396979 OOLXKJCCELOSNE-INIZCTEOSA-N 431.802 5.566 30 10 IKEE C=C(C[C@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)OC 2262461959 HPACPFITCMVDJF-SANMLTNESA-N 433.548 5.411 30 10 IKEE CCCCCCCCC[C@H](C)NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2263709837 ATIKJDYAPRXFOL-SANMLTNESA-N 436.684 6.577 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@@H](O)C#Cc2ccccc2Cl)cc1Br 2277859038 DJCLLDKGPWXKDP-SFHVURJKSA-N 436.733 5.535 30 10 IKEE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)C(=O)C#CC1CCCCC1 2289649949 YZPKBBYKLWHQJC-LJQANCHMSA-N 434.374 5.038 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(OCCCOc3cccc(C)c3)cc2)SC1=S 2293116014 DDODSLLZVIGQSE-UHFFFAOYSA-N 425.575 5.230 30 10 IKEE CCOc1ccc(N=C2NC(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)S2)cc1 2294013811 CPOPIBIRDYNDEI-UHFFFAOYSA-N 435.461 5.145 30 10 IKEE COc1ccc(C#CC(=O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cn1 2295754367 OFZUYEQWYLRIQK-UHFFFAOYSA-N 449.506 5.483 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H](C)CN(CC)C(=O)OC(C)(C)C 2296219250 MHOWMQJYVVZOQD-FXAWDEMLSA-N 437.422 5.062 30 10 IKEE CC(=O)c1c(C)nc(SCC(=O)Nc2ccc(C)cc2)c(C#N)c1C=Cc1ccccc1 2297605108 GQVQMNHWPBZTGE-UHFFFAOYSA-N 441.556 5.674 30 10 IKEE COc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(-c4ccccc4)cc2)C3=O)c1 2314437695 UEWSCFOCFCHLNN-UHFFFAOYSA-N 448.474 6.198 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=Nc1ccccn1 2314541318 JPSAYLVLSYVKNM-UHFFFAOYSA-N 432.461 5.040 30 10 IKEE CC(=C1SC(=Nc2cccc(C(=O)O)c2)N(C2CCCCC2)C1=O)c1ccc(F)cc1 2314547539 JTTKFLIMCFNLLW-UHFFFAOYSA-N 438.524 5.851 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)O3)CN(C1CCCCCC1)CO2 2322079692 PFIGBFIZLWJWGQ-UHFFFAOYSA-N 434.492 5.394 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Br)ccc1OCc1ccc(F)cc1 2322477336 FGXGMECAFATPGW-UHFFFAOYSA-N 441.296 6.072 30 10 IKEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1ccc(Cl)cc1)Nc1nccs1 2322534972 KMVMZXVGZIOJLS-UHFFFAOYSA-N 433.316 5.364 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)c3ccc(C(C)(C)C)cc3)cc(C)c2C1=O 2322737913 QNYURTPHWAFTQK-UHFFFAOYSA-N 426.512 6.436 30 10 IKEE C[C@H](NC(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc(F)cc1)c1ccccc1 2322748355 DGRDJGUBICWHGO-KRWDZBQOSA-N 437.898 5.631 30 10 IKEE CCCN(CCC)C(=O)COc1ccccc1C=CC(=O)c1cc(Cl)cc(C)c1OC 2322926712 KUVPXNQDQLSRFJ-UHFFFAOYSA-N 443.971 5.581 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2Cl)cc1OCC(=O)Nc1ccccc1F 2323087714 YACBHSZHKXUXQR-UHFFFAOYSA-N 439.870 5.401 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)NC3CCCCC3)c2)c2ccccc12 2323331579 QZBQAAFWDALPHG-UHFFFAOYSA-N 443.543 5.572 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1Cl)Nc1ccccc1 2323396352 AKDMISQMHYWXHV-UHFFFAOYSA-N 441.914 6.407 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OCC(=O)N(CC)CC 2323434515 AFZYQCBIQIWQAH-UHFFFAOYSA-N 435.564 5.107 30 10 IKEE COc1ccccc1C=C1Oc2cc(OC(=O)C(Cl)=Cc3ccccc3)ccc2C1=O 2323438174 BBULKHPPSBNFFC-UHFFFAOYSA-N 432.859 5.497 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCc3cc(C)ccc3C)c(Br)c2)cc1 2323466174 WIPPRDGFIHUQFY-UHFFFAOYSA-N 449.388 7.103 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2cccc(Br)c2)cc1)NC1CCCCC1 2323651762 DVBFCVQNTWDVDU-UHFFFAOYSA-N 442.353 5.173 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OCc1ccc(Cl)cc1Cl 2323807868 JFKURXHOKPLRPE-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 2324194980 MVPWFPYOFQQNEA-UHFFFAOYSA-N 445.317 7.006 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2)C3=O)c1 2324455922 UNWPYFSHGPIWGK-IBGZPJMESA-N 427.500 5.634 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2324522500 AMGCFIUMIPOWNZ-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE CCCOC(=O)COc1ccc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc1Cl 2324532280 MMSWJGGCHSKSPT-UHFFFAOYSA-N 437.319 5.539 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OCCCOc3ccc(Cl)cc3)c2C)C1=O 2324561355 RSJSNJSLXXIRBK-UHFFFAOYSA-N 434.919 6.421 30 10 IKEE COc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)cc1OC 2324706233 DDDRMZAUJSVIFB-LJQANCHMSA-N 448.544 5.342 30 10 IKEE CCCCCCCCCOc1ccc2c(c1C)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2325195978 KBLJMMPHNWBOQN-UHFFFAOYSA-N 447.402 8.047 30 10 IKEE CC[C@@H](C)c1ccccc1NC(=O)C(=O)C=Cc1ccc(OCc2ccccc2)c(OC)c1 2325651911 UMFKOSMNZHKZEH-HXUWFJFHSA-N 443.543 6.009 30 10 IKEE COc1cccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc4ccccc4c3)c2)c1 2325700874 ZBBZJMMJLYNFCK-UHFFFAOYSA-N 438.479 5.729 30 10 IKEE COc1cc(OC)c(OC)cc1C=C1Oc2c(ccc(OCc3cccc(C)c3)c2C)C1=O 2325721006 XVMYKPHKSJCLQQ-UHFFFAOYSA-N 446.499 5.524 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2)cc1OC(=O)[C@H]1C[C@H]1c1ccccc1Cl 2325731631 SIERKQKETRZVFT-SFTDATJTSA-N 432.903 5.954 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)CCc3cccc(OC)c3)c2)cc1 2325739519 HZMRIDFDFFNBIG-UHFFFAOYSA-N 444.527 5.918 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(N(C)C)cc3)c2)c(C)c1C 2325755729 XHLISSIJTKZPNU-UHFFFAOYSA-N 429.516 5.493 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC(=O)COCc2ccccc2)c1 2325765942 TZALOPVHMRJIGN-UHFFFAOYSA-N 442.555 6.311 30 10 IKEE CCCCCOc1ccc(C=Nn2c(CCC)nnc2SCc2ccc(C#N)cc2)cc1 2326681235 AMWAKIGTIPMHLE-UHFFFAOYSA-N 447.608 5.846 30 10 IKEE CCOc1ccccc1OCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccco1 2326810107 JLWITRWQSDOYJQ-UHFFFAOYSA-N 448.548 5.332 30 10 IKEE Cc1ccccc1OCCCc1nnc(SCc2ccccc2)n1N=Cc1cccn1C 2327098365 JOVAKNKFTQCGKD-UHFFFAOYSA-N 445.592 5.111 30 10 IKEE CCCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(OC)cc1OC 2327771851 SLXUXLDIBFXUSN-UHFFFAOYSA-N 446.576 5.424 30 10 IKEE N#C[C@]12C=C3CCCC(C=NC4CCCCC4)=C3NC1=C(C=NC1CCCCC1)CCC2 2328662946 VWPBVELXCJQXGP-NDEPHWFRSA-N 430.640 6.709 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3)n2N=Cc2ccncc2)cc1C 2328945869 BWAFEYZNPXNTAG-UHFFFAOYSA-N 427.577 5.250 30 10 IKEE C=C(C)CSc1nnc(CCOc2ccccc2)n1N=Cc1c(F)cccc1Cl 2329190055 QSZVQTOSXBKDFP-UHFFFAOYSA-N 430.936 5.243 30 10 IKEE CCSc1nnc(CCc2ccccc2C)n1N=Cc1c(OC)ccc2ccccc12 2329481557 NYEJZNVZCGTIAA-UHFFFAOYSA-N 430.577 5.528 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCCc2ccccc2)n1N=Cc1ccccc1F 2330115257 VBMQVVPHIPGPMH-IBGZPJMESA-N 430.552 5.786 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)cc1)c1cccc([N+](=O)[O-])c1 2330622004 WPKANUCYCOIIIX-FCHUYYIVSA-N 447.874 5.853 30 10 IKEE Cc1cccc(C=Nn2c(CC(C)(C)C)nnc2SCc2c(Cl)cccc2Cl)c1 2330857359 VLIYINMEMJQNAL-UHFFFAOYSA-N 447.435 6.656 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccccc3OC)cc2OC)cc1 2331081440 FLOLXNVIRULVGU-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE Cc1ccccc1CSc1nnc(C(F)(F)F)n1N=Cc1ccc(Cl)cc1Cl 2331115384 DCARBXFXXISQAS-UHFFFAOYSA-N 445.297 6.087 30 10 IKEE Cc1cccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2-c2ccco2)c1 2331232109 UIWYTFNNZVUZPD-UHFFFAOYSA-N 426.904 5.814 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3c(F)cccc3Cl)cc2)cc1 2331295667 OZFKINJIZIFDOY-UHFFFAOYSA-N 438.882 6.383 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1cc(Cl)ccc1O 2331385305 RUKAPVMBALTKMF-UHFFFAOYSA-N 445.932 5.017 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(C)(C)C)n2N=Cc2ccccc2OC(C)C)c1 2331396569 QCUVCKYTOGGBBY-UHFFFAOYSA-N 436.625 6.154 30 10 IKEE CC(C)Cc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(C(C)(C)C)cc1 2331470646 ADYBLAKXYSKAHD-UHFFFAOYSA-N 441.044 6.602 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)Cc1cc(C)ccc1C 2331534528 VYWKXIVOEZUUEW-UHFFFAOYSA-N 432.491 5.885 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)c1ccccc1F 2331630153 UNZAWSZSALJXGX-UHFFFAOYSA-N 448.490 5.965 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2ccc(OC(=O)C(C)C)c([N+](=O)[O-])c2)cc1Cl 2331812538 XBOACFZKUUNBMH-UHFFFAOYSA-N 438.263 5.368 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cc(Cl)c(OC(=O)C3CCCC3)c(OC)c2)cc1C 2331835290 FJSDIZWYZDDCDS-UHFFFAOYSA-N 442.939 5.966 30 10 IKEE CN(Cc1ccccc1)[C@@H](CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C1CC1 2339542607 DWRJXEWJXQIEGY-TVXVBNPNSA-N 433.405 5.049 30 10 IKEE CCN[C@H](C#CC1(OC)CCC1)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2362769319 XACXIXIFNKDDGU-QGZVFWFLSA-N 437.378 5.019 30 10 IKEE C=C(C)COc1ccc(NC(=O)COc2c(Cl)cc(Cl)cc2Br)cc1 9813908 TZYGLCAFDDQGBM-UHFFFAOYSA-N 445.140 5.728 30 10 IKEE Cc1cc(Br)ccc1/N=C1/NC(=O)/C(=C/c2c(C)n(C)c3ccccc23)S1 33347729 DBVAMRSOMAHRCU-ODLFYWEKSA-N 440.366 5.449 30 10 IKEE C/C(=C1/S/C(=N/c2ccncc2Cl)N(C2CCCCC2)C1=O)c1ccc(O)cc1 39864650 VZXKXSHVTLIMHQ-SOMGSRHFSA-N 427.957 5.767 30 10 IKEE Cc1c(/N=N/c2ccccc2C(F)(F)F)c(O)n(CCc2ccccc2)c(=O)c1C#N 39870789 BHZUGXDUTAMQCX-BYYHNAKLSA-N 426.398 5.411 30 10 IKEE C[C@@H]1CCc2c(C#N)c(NC(=O)C(c3ccccc3)c3ccccc3)sc(=S)c2C1 41011465 YZJLWIBWYKRTLU-MRXNPFEDSA-N 430.598 6.245 30 10 IKEE COc1ccccc1C(=O)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(C(C)C)cc1)C2=O 41285784 ZAMBUETVSSWMQE-OYKKKHCWSA-N 428.484 5.962 30 10 IKEE C/C(=N/Nc1nc(SCC(=O)Nc2ccc(C)cc2C)n[nH]1)c1ccc2ccccc2c1 59021973 VNECGDDHJYZOJK-PKAZHMFMSA-N 444.564 5.142 30 10 IKEE O=[N+]([O-])c1ccc(Cl)c(/C=N/c2ccccc2/N=C/c2cc([N+](=O)[O-])ccc2Cl)c1 59513900 GJHHTJNNZYXDED-ASIDMNOUSA-N 443.246 6.311 30 10 IKEE C/C=C\Oc1ccc(C(=O)/C(=C/c2cccc(OC)c2OC)c2nc3ccccc3o2)cc1 98037239 MZVIOITUYFESGZ-LLAIRPGGSA-N 441.483 6.181 30 10 IKEE CCCCCCCOc1cccc(NCC(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)c1 100089948 HZVCKEHLYAJXOD-RUZDIDTESA-N 440.584 5.644 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OC(=O)c4ccccc4)ccc3C2=O)c2cc(OC)ccc21 102722584 AFELYTRGWXQTDL-MXAYSNPKSA-N 439.467 5.505 30 10 IKEE CCCCCCCCCCCC(=O)Nc1sc2c(c1C(=O)OC)CC[C@H](C(C)(C)C)C2 108754926 ZXWQMJALSQMYMQ-IBGZPJMESA-N 449.701 7.545 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccc(OC)cc2)cc1 169925685 SQUSFXSQLJZJKE-VWLOTQADSA-N 441.527 5.657 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2cccs2)cc1C 169985911 ORLCGWSCIZTISB-HXUWFJFHSA-N 439.920 5.501 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(C)c(C)c2)=C(N2CCc3ccccc3C2)C1=O 170001541 KAXFIFKMJQCUIM-UHFFFAOYSA-N 444.619 5.802 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@H]2c2cccnc2)cc1C 170008094 DIOFYHONTOPGIG-VWLOTQADSA-N 434.495 5.635 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2cccnc2)c1 170012605 XJQKXQDOFMKOFB-DEOSSOPVSA-N 426.516 5.094 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2ccccc2)cc1 170032350 AKQXWXJALQZPFQ-DEOSSOPVSA-N 443.499 5.267 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(Cl)cc2)c1 170057431 FSNOSXISPBDVGD-JOCHJYFZSA-N 435.882 5.879 30 10 IKEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc(Cl)cc1)c1ccc2ccccc2c1 170058462 UXQCCKFLTXYNGG-JTHBVZDNSA-N 447.918 5.251 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1Cc1ccc(F)cc1 170108023 FBIYHPYXKBWFDE-IBGZPJMESA-N 441.911 5.628 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(OC)cc2)c1 170116918 OLCVSBZZEAJPDC-QHCPKHFHSA-N 435.520 5.005 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccc(O)cc2)cc1C 170132139 SWSRNYPXYOISLS-DEOSSOPVSA-N 443.499 5.191 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1cccs1 170165729 AQTXSKYTZSELAM-OAQYLSRUSA-N 425.594 6.123 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@@H]1c1ccccn1 170181266 YKGONASHGIWMCM-FQEVSTJZSA-N 447.560 5.282 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC(C)C)c3)[C@@H]2c2ccccc2)c1 170223974 JFUUBHHONDBIMW-VWLOTQADSA-N 441.527 5.813 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)cc(OC)c3o2)[C@H]1c1ccccc1 170232804 OXLHQHWVATYBON-LJQANCHMSA-N 425.868 5.083 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2ccc(C(C)C)cc2)cc1 170245585 GYPZWMGTMHRLOK-RUZDIDTESA-N 449.591 6.367 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2C2CCCC2)cc1 170268635 VONOOQWKJQATDI-VWLOTQADSA-N 447.575 5.805 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@H]2c2ccco2)cc1C 170283414 CJFYDOXHUQXTGZ-QHCPKHFHSA-N 431.488 5.332 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCCC)c2)[C@@H]1c1c(C)[nH]c2ccccc12 170311796 PBZRMJKNRHDYTJ-DEOSSOPVSA-N 446.547 5.644 30 10 IKEE CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1cccc(Oc2ccccc2)c1 170455976 ZPLQORGXHSGQAS-HSZRJFAPSA-N 431.463 5.743 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(OC(C)C)cc2)c1 170472642 RNZLLOFLEJJYAD-QHCPKHFHSA-N 447.487 5.248 30 10 IKEE CCCCC1CCC(C(=O)Nc2c(C#N)cnn2-c2cc(C)c3cccc(C)c3n2)CC1 170509394 GBNYQXRMAJANME-UHFFFAOYSA-N 429.568 5.844 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)CCCOc2ccc(Cl)cc2)nc2ccccc12 170536938 USORYCYZOYQUSR-UHFFFAOYSA-N 445.910 5.052 30 10 IKEE CCCCCCCc1nc(C#N)c(NN=Cc2ccc(OCCCC)c(OCC)c2)o1 254391144 LFLKGGQHEVPVQW-UHFFFAOYSA-N 426.561 6.083 30 10 IKEE CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)SC1=Nc1ccccc1OC 254749862 SJRCFQVRCGPLPQ-BZMHFZIGSA-N 425.579 5.469 30 10 IKEE Cc1ccc(N=C2S/C(=C3/Sc4ccccc4N3C)C(=O)N2C2CCCCC2)cc1 254771519 ONKPPTZEDGZSFY-CSFSZXLXSA-N 435.618 6.302 30 10 IKEE C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C/c1ccnn1-c1ccccc1)C2=O 254771645 PSHMDRHQJHJFAC-RRPPVTEISA-N 442.603 5.758 30 10 IKEE CC1(C)[C@H]2CC[C@]1(C)/C(=N/OC(=O)[C@@]13CC[C@@](C)(c4nc5ccccc5nc41)C3(C)C)C2 256019800 FOKRCBHPMBLICJ-GMKGSCAWSA-N 431.580 5.704 30 10 IKEE CCCCCCC[C@H](C=O)/C(=N/N)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 514277967 JEAOLTQOMYEXAA-QNAXDZHFSA-N 449.378 6.051 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1 526516008 LCDUZLPOOFPBHK-IBGZPJMESA-N 437.864 5.239 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1ccc(C)cc1 526813546 AQZPPRDMUNTLTA-CFRMEGHHSA-N 433.408 6.410 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccc(OCC)c(Cl)c1 526817281 ZMNBEJQDSZAXQH-CFRMEGHHSA-N 449.407 6.111 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(CCCC#N)c2cc(OC)ccc2OC)cc1 586233336 LCCSXYWNSBVAJA-UHFFFAOYSA-N 444.597 5.326 30 10 IKEE CCc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2ccc(C(C)(C)C)cc2)cc1 586242195 UIOGUHRJLCKALC-UHFFFAOYSA-N 432.589 5.814 30 10 IKEE C=CCN(CC=C)C(=O)Nc1cccc(C(=O)Nc2ccc(OCCCCCC)cc2)c1 586672665 BYCNFWCWGTVNBE-UHFFFAOYSA-N 435.568 6.104 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2C(=O)c1ccc(Br)cc1 606654543 FVCWJTXECJALIV-HXUWFJFHSA-N 425.326 5.181 30 10 IKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C#N)c1ncc(Br)cc1Br 698396925 HYTMHCXRIUQVKN-ZWNOBZJWSA-N 447.171 5.207 30 10 IKEE CC(C)C[C@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)C1 698481154 DBYJFICQGKYQDG-VGSWGCGISA-N 435.406 6.689 30 10 IKEE CN(C)c1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)cc1 698481163 DEHKZWVKYQQOFO-IBGZPJMESA-N 430.346 5.521 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@@H](C#N)c1ccc(I)cc1 698489673 HNEAHAUUXIFYJU-KRWDZBQOSA-N 434.277 5.298 30 10 IKEE CC(C)(C[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl)NC(=O)OC(C)(C)C 698958343 PSLOLTCKWCMSAH-OAHLLOKOSA-N 437.968 5.667 30 10 IKEE CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc3nc(O)oc3c2)cs1 794715682 OHVSKDNDDWLXGU-WEVVVXLNSA-N 439.880 5.224 30 10 IKEE Cc1cccc(N=C2S/C(=C/c3ccc(-c4c(Cl)cccc4Cl)o3)C(=O)N2C)n1 1772732546 YEACIEVOFWXNJK-LECIVKJOSA-N 444.343 6.191 30 10 IKEE COc1cc(/C=C2/SC(=Nc3cccnc3Cl)N(c3ccccc3)C2=O)ccc1O 1772732604 GFLQXCCHBXJFJB-GNMKNICSSA-N 437.908 5.258 30 10 IKEE CCCCCn1c(O)c(N=Nc2ccc(N=Nc3ccccc3)cc2)c(C)c(C#N)c1=O 1772741042 RNWCYENZAVCPOC-UHFFFAOYSA-N 428.496 6.755 30 10 IKEE CCOc1ccc(N=Nc2c(C)c(C#N)c(=O)n([C@H](C)c3ccccc3)c2O)c([N+](=O)[O-])c1 1772741304 FBFKKSCSONZPPA-OAHLLOKOSA-N 447.451 5.066 30 10 IKEE O=C1NC(=NN=Cc2ccccc2OCc2ccccc2)S[C@H]1Cc1ccc(Cl)cc1 1772742001 SNXWQPIVSQRGCZ-QFIPXVFZSA-N 449.963 5.083 30 10 IKEE C=CCN1C(=O)[C@@H](CC(=O)c2cc(C)ccc2C)SC1=Nc1cccc2ccccc12 1772759936 GWPWPPYFTJKLHF-XMMPIXPASA-N 428.557 5.847 30 10 IKEE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1sc2c(c1C#N)CCCC2 1859478770 WSTLVVIZTUDHNL-JTQLQIEISA-N 439.762 5.320 30 10 IKEE CC[C@@H](C)N(C(=O)c1c(F)cccc1Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1859899763 VRTNUOXGHYFABR-SNVBAGLBSA-N 441.774 6.962 30 10 IKEE CC[C@@H](C)N(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)c(Cl)c1 1859900316 MJFHGXGQZNORID-SNVBAGLBSA-N 441.774 6.962 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC(C)C)NC(=O)c1ccccc1C(F)(F)F 1861043551 HVLPHZQIIQIQNL-NRFANRHFSA-N 442.566 6.107 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2F)cc1 1862390688 KAXJKUWVAXLGFS-DEOSSOPVSA-N 444.506 5.342 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(CC)cc2)cc1 1862390799 MIZUARDKIYTYJR-VWLOTQADSA-N 431.576 6.113 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(C)cc2)cc1C 1862400606 IQISDSNIFXUOIT-DEOSSOPVSA-N 445.490 5.230 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@@H]2c2cccc(C)c2)cc1 1862412431 DQSOMMMYJPVRQV-QHCPKHFHSA-N 449.453 5.060 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862448622 RCMHOYGQKCRBJX-IBGZPJMESA-N 428.872 5.017 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(OCCCC)cc1 1862451367 DBBIJOWOTJQNGJ-OAQYLSRUSA-N 425.912 5.283 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CC(C)C)cc1 1862510130 XIAKTUXTYNOYRN-HSZRJFAPSA-N 439.527 5.547 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862510783 FUVFUPXDQNSFEV-LJQANCHMSA-N 446.862 5.074 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccccc2Cl)cc1 1862536170 SEHXPQIXDWKKIH-HSZRJFAPSA-N 437.967 6.204 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1F 1862640660 QWLPHXPZEMVQAO-HSZRJFAPSA-N 439.527 5.582 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1c(F)cccc1Cl 1862666561 GTEYDXOYGVWIFA-QFIPXVFZSA-N 443.946 6.371 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(F)cc1F 1862691172 IQWCTEUGMYUPQK-NRFANRHFSA-N 429.463 5.132 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(Cl)cc1 1862701007 UBIOWBJYPVBLJA-OAQYLSRUSA-N 427.928 5.507 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(C(C)(C)C)cc1 1862705207 SIWKORZNGAILMM-XMMPIXPASA-N 449.591 6.151 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCC(C)C)c1 1862715049 QIZUPHKSCDKRFC-VWLOTQADSA-N 443.543 5.863 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(O)c(O)c1 1862726122 ZGPFDWLCBSIYSD-FYSMJZIKSA-N 443.499 5.142 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2Cl)[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 1862736590 KIURQFDWMCKWBE-NRFANRHFSA-N 448.862 5.027 30 10 IKEE CCCCc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(C)cc3)C2=O)cc1 1862891010 WSRYDNVNZWQYCC-UHFFFAOYSA-N 435.527 5.606 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc4ccccc4c3)C2=O)c1 1863025075 VGCXXKKAKYSESQ-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(F)cc2F)C1=O 1863321125 ODQOPXLUJPVPOT-SFHVURJKSA-N 437.490 5.387 30 10 IKEE CCCCCCCCCCCC(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc2ccccc2c1 1865985038 XBSZSDKTESGHLO-SANMLTNESA-N 438.656 7.230 30 10 IKEE C[C@@H]1COC[C@@H](C)N1c1cc(Nc2cccc(C#N)c2)nc(-c2ccc(C(C)(C)C)cc2)n1 1868538290 NOZSHJLGWRPLMB-RTBURBONSA-N 441.579 5.670 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3ccccc3[C@H]2c2ccccc2OC)nc(C)n1 1869287894 TZYXRLCCDCAAHT-MHZLTWQESA-N 426.564 5.124 30 10 IKEE CCCCCCCCn1cc(OCC(=O)Nc2ccc([C@H](C)CC)cc2)c(=O)cc1C 1870084212 VIBAJXHPHPITCK-HXUWFJFHSA-N 426.601 6.048 30 10 IKEE CCCCCCN(CCCC)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCC 1870347718 QBXNSOHCSXNCDR-UHFFFAOYSA-N 437.628 5.891 30 10 IKEE C=CCn1cc(OCCCc2ccccc2)c(=O)cc1CN(CCCC)CCCCCC 1870688769 SAPUNUBOUZNFJE-UHFFFAOYSA-N 438.656 6.228 30 10 IKEE C=CCn1cc(OCc2c(Cl)cccc2Cl)c(=O)cc1CNc1ccc(C)c(F)c1 1871049699 NSRZEOFKJGCQLX-UHFFFAOYSA-N 447.337 5.980 30 10 IKEE CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(Cl)c(Cl)c1 1871252248 QOVABSBVWJACEY-UHFFFAOYSA-N 428.319 5.238 30 10 IKEE CCOCCCN1COc2ccc3c(c2C1)O/C(=C\c1c(Cl)cccc1Cl)C3=O 1871350661 OQNXUBUOMMQHHU-JAIQZWGSSA-N 434.319 5.188 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(OC)c2)C3=O)c1 1871388221 ZHGKVVJFRJZJEK-OYKKKHCWSA-N 430.456 5.319 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OCCCCOc4ccccc4C)c3C)C2=O)cc1 1871406220 XFUMYTVFFAVVOG-DIBXZPPDSA-N 442.555 6.720 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OCCCOc3ccc(Cl)cc3)cc(C)c2C1=O 1871406312 RKJGRCSWSUYEKG-STZFKDTASA-N 440.948 6.482 30 10 IKEE COc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1sccc1C)C2=O 1871410206 BHTFOMIECMDLPQ-RDPIHGLISA-N 449.528 5.396 30 10 IKEE COC(=O)c1cccc(COc2cc(C)c3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)c1 1871416346 XMMOELWBNQFXLO-UUYOSTAYSA-N 434.875 5.630 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O)Nc1ccc(Cl)cc1 1871440897 MXRMKYVQRCKFFG-NHDPSOOVSA-N 440.282 5.627 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871454504 NQTZBPJMAPFHNF-XKZIYDEJSA-N 433.891 5.591 30 10 IKEE CCCCCCCCCCN=c1nc(N(CCC)CCC)[nH]c(=Nc2ccccc2C)[nH]1 1871485435 YZHZKLMPOCUWPV-UHFFFAOYSA-N 440.680 5.946 30 10 IKEE N#C[C@H](C(=O)c1ccccc1Br)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872760785 XQSLEAALIMDOJL-GOSISDBHSA-N 437.362 5.941 30 10 IKEE CCCCCCCCNC1=C(c2ccc(C)c(C)c2)C(=O)N([C@@H](CC)CCCCC)C1=O 1873140883 BAXUTFGHDIUXNW-DEOSSOPVSA-N 440.672 6.692 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C(C)=O)cc2)=C(c2ccccc2C)C1=O 1873305796 VSMZMRRJHRLWPN-UHFFFAOYSA-N 432.564 5.750 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C(C)(C)C)c2)cc2c(NCc3cccnc3)ncnc21 1873608638 BASXNZOJFOIIIN-UHFFFAOYSA-N 440.551 5.174 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(Cl)c2C)cc2c(N(CCC)CCC)ncnc21 1873665277 BQVVOCWKHBAVRC-UHFFFAOYSA-N 425.964 5.458 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)C12CCCC2 1873936760 QEIBEKXZHFSZHR-DEOSSOPVSA-N 442.644 5.442 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccccc3Cl)n2/N=C/c2cc(C)ccc2O)cc1 1874365158 NMYGFSDKOCDWRZ-VULFUBBASA-N 448.979 6.095 30 10 IKEE Fc1ccc(CSc2nnc(COc3ccccc3)n2/N=C/c2ccccc2F)cc1 1874383716 JDYANLVCFMFPEA-VULFUBBASA-N 436.487 5.310 30 10 IKEE CCCOC(=O)CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1ccccc1Cl 1874398057 RTPUAEARHACXGS-HUSFYUSLSA-N 442.972 5.011 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccccc2)n1/N=C/c1ccccc1C(=O)O 1874416161 BJDPHYUSXMRIPE-WGOQTCKBSA-N 442.544 5.050 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1 1874427019 MESQFUPXZNDMDE-BUVRLJJBSA-N 445.504 5.036 30 10 IKEE Cc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCC(=O)N[C@H](C)c2ccccc2)cc1 1874441302 QXRZFHRBYKICSQ-DZTFFZQKSA-N 449.624 5.027 30 10 IKEE Cc1cccc(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2ccccc2OC(C)C)c1 1874446782 KZZIIIAHFMFECK-IBUSPFOHSA-N 436.581 5.400 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2c(F)cccc2Cl)nnc1C(F)(F)F 1874463278 AOXOYYHRCUNGOK-PGGKNCGUSA-N 428.842 5.572 30 10 IKEE CC(C)(C)c1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2-c2ccco2)cc1 1874464710 YBLHSYRXNQLNKD-CVKSISIWSA-N 434.540 6.149 30 10 IKEE Cn1cc(/C=N/n2c(SCc3ccccc3F)nnc2-c2ccco2)c2ccccc21 1874466843 DZFDDKVVKJDCJS-DHRITJCHSA-N 431.496 5.343 30 10 IKEE O=C(O)c1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2-c2ccco2)cc1 1874468719 VHKUNEFZOYCHQX-FSJBWODESA-N 438.896 5.064 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCC3)n2/N=C/c2c(F)cccc2Cl)c1 1874496108 VVCZSESRLFPHDB-BRJLIKDPSA-N 428.964 6.129 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2cccc(Cl)c2)nnc1C1CCC1 1874497470 LEEHIKZBCCKYNS-MFKUBSTISA-N 441.000 6.162 30 10 IKEE CC(C)(C)c1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CC2)cc1 1874520141 CRWXYCPIGYMKDT-AFUMVMLFSA-N 425.001 6.281 30 10 IKEE Sc1nnc(C2CCC2)n1/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 1874559454 SRCSMVYTLRXXFH-FOKLQQMPSA-N 433.364 5.602 30 10 IKEE Sc1nnc([C@@H]2CCCO2)n1/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 1874560134 IKNJFUDJFQZZHD-RIDKEVFESA-N 449.363 5.186 30 10 IKEE COc1ccc(/C=N/n2c(S)nnc2CC(C)(C)C)cc1OCc1ccc(Cl)cc1 1874560475 ZGTBWLLREQUQJK-ZMOGYAJESA-N 444.988 5.279 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1ccccc1F)c1ccc(Br)cc1 1874574679 ZKDNEGVNONNXNZ-YRNVUSSQSA-N 445.715 6.717 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Br)ccc2OCc2cccc(C)c2)cc1 1874575170 ZLMKLPAEKHKJKC-XYOKQWHBSA-N 437.333 6.241 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccccc2OCc2ccccc2Cl)c(OCC)c1 1874589482 NSGYOHVNMIGUPK-DTQAZKPQSA-N 436.935 6.613 30 10 IKEE Cc1ccc(COc2ccc(Br)cc2/C=C/C(=O)c2c(C)cc(C)cc2C)cc1 1874589975 MNGFSEHGOGUSBV-PKNBQFBNSA-N 449.388 7.158 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccccc2/C=C/C(=O)c2c(C)cc(C)cc2C)c1 1874590227 ZTVWWNNTKKOJDX-ZHACJKMWSA-N 427.544 6.142 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2nccs2)c2ccccc12 1874592213 SBVBWEBRHNFSAA-ZRDIBKRKSA-N 444.512 5.219 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OCC(=O)NCc1ccccc1 1874597233 ASWDFOVZUURRPD-OQLLNIDSSA-N 443.543 5.410 30 10 IKEE CC(C)COC(=O)COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1Cl 1874601506 OPSPKJJIVUCSNX-RIYZIHGNSA-N 448.946 6.481 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(Cl)c1OCc1ccc(F)cc1 1874605439 ZMMZHWBVGVXCFZ-NTEUORMPSA-N 438.926 6.915 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccccc1C 1874606400 LNAQZOYXNONTCL-XYOKQWHBSA-N 441.354 7.176 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OCC(=O)Nc1cc(C)ccc1C 1874614659 MMBQJASUVFVYPN-WYMLVPIESA-N 429.516 5.616 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OCc1ccc(C)cc1 1874622986 GHBMEXOWSVBVPB-NTEUORMPSA-N 434.963 7.256 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)C34CC5CC(CC(C5)C3)C4)c2)cc1 1874694586 KUQWAWRAQPUOGY-UXBLZVDNSA-N 444.571 6.276 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)CCc3ccc(OC)cc3)c2)cc1 1874694880 YZGIWIBGDLGWEO-CXUHLZMHSA-N 444.527 5.701 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(/C=C/C(=O)c3cccc(Cl)c3)ccc2OC)c1 1874699336 QBIIABAJVWVBNW-ZRDIBKRKSA-N 436.891 5.863 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(Cl)cc2)CSc2nnc(COC)n21 1874870592 FWADJNFTJQMOOQ-GOSISDBHSA-N 437.009 5.140 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(C)c3)cc2)cc1 1875107518 UUQKTWGTOZPWIN-OVCLIPMQSA-N 430.500 5.447 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3Cl)c(OC)c2)cc1C 1875108781 GGOXWGKVRJFGGC-DHZHZOJOSA-N 436.891 5.781 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC(=O)Cc1ccc(C)cc1 1875121838 KLXSIXWHCZWOEG-ACCUITESSA-N 434.919 6.091 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)c1ccccc1F 1875123076 VDSZZKKFFPMJMP-IZZDOVSWSA-N 445.273 6.256 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3)c(OCC)c2)cc1 1875130698 ODDSKILGCPSWSX-PJQLUOCWSA-N 434.463 5.738 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc([N+](=O)[O-])c1OC(=O)C(C)(C)C 1875140636 PRYOFYDNMQSQOT-ZHACJKMWSA-N 425.481 5.458 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc1Cl 1875153277 YSKQPABCOBHSOY-JLHYYAGUSA-N 446.946 7.040 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3F)c(Cl)c2)cc1Cl 1875189078 XLACIAWUIXSJCQ-RMKNXTFCSA-N 445.273 6.256 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccccc2F)c(Cl)c1 1875192984 NHQVSGTTXHGSOV-RMKNXTFCSA-N 445.273 6.256 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)C1CC(C)(C)C1 1924301698 YIZBXWFQALRISV-PKTZIBPZSA-N 430.633 5.457 30 10 IKEE COc1cccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)c1Br 1927303670 JNLUDJPBKLQJGP-MRXNPFEDSA-N 435.293 5.603 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1(C)C 1932940077 JQYUSOUTFWOUSO-XMMPIXPASA-N 429.561 5.105 30 10 IKEE CCCCCC#CC[C@@H](O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2024347731 UBYYFBAMTGUGPG-BVAGGSTKSA-N 429.601 5.165 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CC12CCC(C#N)(N(C(=O)OC(C)(C)C)C1CCCCC1)CC2 2030100906 QNGQUYRKFVRFAI-CCYWVKEMSA-N 447.620 5.676 30 10 IKEE CCCCCCCCC[C@@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCC 2035462275 QEIANOJLWVYZNU-LOSJGSFVSA-N 448.692 6.605 30 10 IKEE CN(C)c1ccc(C=C(C(=O)c2ccccc2)c2nc3ccccc3n2C(F)(F)F)cc1 2040488176 MKUVIFUUCSVVCN-UHFFFAOYSA-N 435.449 6.002 30 10 IKEE C=CCn1c(COc2ccccc2F)nnc1SCC(=CC(=O)C(C)(C)C)C(C)(C)C 2041143676 OTKWGKUNSANVAC-UHFFFAOYSA-N 445.604 5.862 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1C(C)(C)[C@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2055761808 BTDICYBTJOTXCL-HHJKRLRDSA-N 441.572 5.356 30 10 IKEE CC(C)c1nn([C@@H](c2ccc(C(F)(F)F)cc2F)C2CC2)c(Br)c1C=NO 2079903596 JNMQXFUBGUIRDW-MRXNPFEDSA-N 448.258 5.734 30 10 IKEE C#C[C@@H](Nc1cc(Br)c(Br)c(Br)c1)c1ccccc1 2095439872 PUMIACSUDXVPOA-CQSZACIVSA-N 443.964 5.761 30 10 IKEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1cccc(Cl)c1Br 2124449829 RRWUJLYNDMVYAK-CQSZACIVSA-N 444.757 5.018 30 10 IKEE CCN(c1ccc(Br)cc1C#N)[C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 2174808247 LREPDIPBQWFTOM-YJBOKZPZSA-N 436.394 5.231 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1c(F)cc(F)cc1F 2235812834 DXQMUFZAUMHTFF-INIZCTEOSA-N 441.247 5.873 30 10 IKEE CCCCCC#CC[C@H](N)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237408582 IKAFURBEIQCSDP-PMACEKPBSA-N 437.422 5.186 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@@H]2CCCC[C@@H]2N(C(=O)OC(C)(C)C)C1 2246648212 WOUWRRANCIUPGV-LYXWCMDISA-N 435.609 5.484 30 10 IKEE C[C@H](C1CC1)N(Cc1ccccc1)c1ccnc2ccc(B3OC(C)(C)C(C)(C)O3)cc12 2269897566 YQFYZPCGVCFRAA-LJQANCHMSA-N 428.385 5.339 30 10 IKEE C=C(C)CCCC[C@H](NCC)[C@@H](O)c1scc(Br)c1Br 2287393055 VBUOOOWXIJIGCN-GXTWGEPZSA-N 425.230 5.421 30 10 IKEE O=C1C(=O)N(c2ccccc2)[C@H](c2ccccc2)C1=C(O)c1ccc(Br)cc1 2296766004 AQIAOSBTZOGYBE-HXUWFJFHSA-N 434.289 5.075 30 10 IKEE COc1ccc(COc2ccc3c(c2)OC(=CC2=Cc4ccccc4O[C@@H]2C)C3=O)cc1 2296844795 HXUSHXYODUVSHP-QGZVFWFLSA-N 426.468 5.598 30 10 IKEE COc1cccc(C=C2Oc3cc(OCc4ccc(F)cc4Cl)ccc3C2=O)c1OC 2296868144 XZSUCGBZQMNCIV-UHFFFAOYSA-N 440.854 5.692 30 10 IKEE CCCN(CCC)C[C@@H](O)Cn1cc(C=CC(=O)c2ccc(OC)cc2)c2ccccc21 2297359261 FEHQBUXEGJMXLC-HSZRJFAPSA-N 434.580 5.029 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(I)cc2)ccc1OC(F)F 2297576285 IGEPEPOGHKGDNS-UHFFFAOYSA-N 444.215 5.187 30 10 IKEE O=C1C(=O)N(c2ccc(Br)cc2)[C@H](c2ccccc2)C1=C(O)c1ccccc1 2297745415 CUZHAURJCHYASZ-HXUWFJFHSA-N 434.289 5.075 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cccc(OCc2ccccc2)c1 2314455760 RKUMRRULOYVIBD-JWQCQUIFSA-N 438.612 6.166 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(-c3ccccc3)o2)SC1=Nc1cccc2ccccc12 2314487078 GMDLQAYZBLCWAR-UHFFFAOYSA-N 436.536 6.890 30 10 IKEE C=CCN1C(=O)C(=CC(C)=Cc2ccccc2)SC1=Nc1nc(-c2ccccc2)cs1 2314543703 KTONVWGWAMYOMJ-UHFFFAOYSA-N 443.597 6.546 30 10 IKEE N#Cc1nc(-c2ccccc2)oc1NN=Cc1ccc(OCc2cccc(Cl)c2)cc1 2320834012 ZDLTXUNZCQPUEY-UHFFFAOYSA-N 428.879 5.892 30 10 IKEE CN(C)c1ccc(C=C2Oc3cc(OCc4c(Cl)cccc4Cl)ccc3C2=O)cc1 2321773160 TXCQHORYUMDZMA-UHFFFAOYSA-N 440.326 6.255 30 10 IKEE Cc1c(OCc2ccc(F)cc2Cl)ccc2c1OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2321863026 PUFVCMPWKALEBD-UHFFFAOYSA-N 439.826 5.891 30 10 IKEE CCc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCc2ccccc2)C4)cc1 2321937230 BZRMLMNFUGGTLJ-UHFFFAOYSA-N 425.528 5.568 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(Cl)cc2C=CC(=O)c2ccc(OC)cc2)cc1 2322456032 XEHCWXJSRSHUBK-UHFFFAOYSA-N 449.934 5.825 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 2322474798 ZQWNGGMIKLJAET-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C)cc2C)c1OCC(=O)N[C@@H](C)c1ccccc1 2322575266 HJFLDURZJCTUAF-NRFANRHFSA-N 443.543 5.464 30 10 IKEE Cc1c(OC(=O)c2cc3ccccc3o2)ccc2c1OC(=Cc1cn(C)c3ccccc13)C2=O 2322842651 GNVWTXUKQXJFMJ-UHFFFAOYSA-N 449.462 6.068 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(OC(=O)Cc4ccc(OC)cc4)c3C)C2=O)cc1 2322904280 BRCSRADNQBHUPH-UHFFFAOYSA-N 444.483 5.167 30 10 IKEE CCn1cc(C=C2Oc3cc(OC(=O)c4cccc(Cl)c4)ccc3C2=O)c2ccccc21 2322910799 GBEFMBNSGHEOEN-UHFFFAOYSA-N 443.886 6.150 30 10 IKEE CCCOC(=O)COc1ccc(Cl)cc1C=CC(=O)c1cc(C(C)(C)C)ccc1C 2322953379 KTNPUEBNPLJJJP-UHFFFAOYSA-N 428.956 6.174 30 10 IKEE CCN(CC)C(=O)COc1ccc2ccccc2c1C=CC(=O)c1cc(C)c(OC)cc1C 2322991747 CAWLXSPKJOKTKH-UHFFFAOYSA-N 445.559 5.609 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OC(=O)CCc3ccc(Cl)cc3)cc(C)c2C1=O 2323114469 IKDKBHNWJLBBLM-UHFFFAOYSA-N 438.932 6.173 30 10 IKEE COC(=O)c1ccc(COc2cccc(C=CC(=O)c3ccc(Cl)c(Cl)c3)c2)o1 2323150931 ZDZSTPFSNSKBCU-UHFFFAOYSA-N 431.271 5.848 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OCC(=O)Nc2cc(C)ccc2C)c1 2323177283 VPEMAQIKTMIYLF-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)CCCOc4ccccc4)cc(C)c3C2=O)cc1 2323186984 QQCWCNNJHKVJFB-UHFFFAOYSA-N 442.511 5.938 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1C 2323317898 MHDYLJNJCSCWHJ-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE CCCOC(=O)COc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-] 2323352288 KFTNJHAXZKJDTN-UHFFFAOYSA-N 445.471 5.490 30 10 IKEE COc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)ccc1OCc1cccc(C)c1 2323358041 AQMRJPZBNCKLOX-UHFFFAOYSA-N 434.535 7.146 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Cl)c1OCc1ccc(F)cc1 2324234697 ZCUUJGQXWNHTDE-UHFFFAOYSA-N 432.825 6.241 30 10 IKEE Cc1ccc(OCCOc2ccc3c(c2C)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)cc1 2324538789 BYJJOZIZFRKFRH-UHFFFAOYSA-N 431.444 5.286 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2)Oc2cc(OCCOc3ccc(Cl)cc3)ccc21 2324665855 NFDKSFZBDKMREZ-UHFFFAOYSA-N 427.283 6.067 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccc(OC)c3ccccc23)cc1 2324673118 AGYRCSRCSJHARF-UHFFFAOYSA-N 445.559 5.772 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OCc4cc(C)c(C)cc4C)c3C)C2=O)c1OC 2324765150 PXPTYMRWSPIGQR-UHFFFAOYSA-N 444.527 6.133 30 10 IKEE CCCCCCCCCOc1ccc2c(c1)OC(=Cc1ccccc1Br)C2=O 2325183686 XASSIYDFCFQIDY-UHFFFAOYSA-N 443.381 7.195 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1OC(=O)[C@@H](C)c1ccccc1 2325699197 ZAWGDNIFPXVTQI-FQEVSTJZSA-N 436.507 6.454 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccccc3C)ccc2C1=O 2325713510 HSRVILYDTHJOPS-UHFFFAOYSA-N 429.472 5.027 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1OC(=O)Cc1ccccc1 2325745871 VVVBAKJMDIWOGW-UHFFFAOYSA-N 428.528 6.037 30 10 IKEE COc1ccc(C=CC(=O)c2cccc3ccccc23)cc1OC(=O)Cc1cccs1 2325748948 RMHLDKMZGPKPKW-UHFFFAOYSA-N 428.509 5.954 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cccc(OC(=O)Cc2ccc(C)cc2)c1 2325763316 FTISGXVZZWTXDW-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cccc(OC(=O)c2ccc(Cl)cc2)c1 2325763371 MTOWGSXYYQKTPX-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccccc3F)c2)cc1Cl 2325767609 ZFWXDNLLDSJOSV-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1cccc(O)c1 2326091383 JYOIOTNGNPOTLF-UHFFFAOYSA-N 430.961 5.033 30 10 IKEE CSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1ccc(C(C)(C)C)cc1 2326358321 WCDSKMDDFFCNGX-UHFFFAOYSA-N 436.625 5.808 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1cccc(OCC)c1OC 2326474917 FRINDVZTSFZLAC-UHFFFAOYSA-N 444.988 5.466 30 10 IKEE CCCCOc1ccc(C=Nn2c(COc3ccc(Cl)c(C)c3)nnc2SC)cc1 2326492897 CEIRGVQXYZWUOQ-UHFFFAOYSA-N 444.988 5.602 30 10 IKEE Cc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccc([N+](=O)[O-])cc2)o1 2326823889 BFNUMJJRUTXCPQ-UHFFFAOYSA-N 447.520 5.047 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1c[nH]c2ccccc12 2327205354 SIXVYBQVCMGSAN-UHFFFAOYSA-N 431.565 5.240 30 10 IKEE CCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccc(Cl)c(Cl)c1 2327267958 QDLCKWXKXOLUJI-UHFFFAOYSA-N 449.407 6.083 30 10 IKEE Cc1ccc(C=Nn2c(COc3c(C)cccc3C)nnc2SCc2ccccc2)cc1 2328557078 LSSWMAWDVKZASY-UHFFFAOYSA-N 442.588 5.957 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccc(C)c(C)c3)n2N=Cc2cccn2C)cc1 2328768872 UYPZGPULFWOQLR-UHFFFAOYSA-N 445.592 5.295 30 10 IKEE CCCSc1nnc(COc2cccc(C)c2C)n1N=Cc1cn(C)c2ccccc12 2328857538 DHIOBPUXOGVLDG-UHFFFAOYSA-N 433.581 5.350 30 10 IKEE Cc1ccc(CCc2nnc(SCCc3ccccc3)n2N=Cc2ccccn2)cc1C 2328957807 CRRYFIYVBKOMGW-UHFFFAOYSA-N 441.604 5.292 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3F)n2N=Cc2cccc(O)c2)cc1 2329701408 KSKCFDQAYVOZSP-UHFFFAOYSA-N 432.524 5.197 30 10 IKEE CCCCOc1ccc(C=Nn2c(Cc3cccs3)nnc2SC)cc1OCC 2330315511 OJKFQLPRFLHIFI-UHFFFAOYSA-N 430.599 5.112 30 10 IKEE COc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1cccnc1 2330611661 IDCLPCUDLBAJIC-UHFFFAOYSA-N 435.479 5.873 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC(=O)c1cccs1 2330645369 MJZFDTSHGSPJDR-UHFFFAOYSA-N 449.484 5.509 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCc3ccccc3)nnc2-c2ccccc2)cc1 2330671165 DMEDDXDQANABFG-UHFFFAOYSA-N 441.604 5.966 30 10 IKEE CCCOC(=O)CSc1nnc(-c2ccccc2)n1N=Cc1cccc2ccccc12 2330705815 BGAZHPRNMPZBCF-UHFFFAOYSA-N 430.533 5.026 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Br)cc2)ccc1OC(=O)C1CCCC1 2330894254 ISGVXUDJBMPDLY-UHFFFAOYSA-N 443.337 5.840 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)c1ccccc1 2331081584 GIDUWTQPNJROGT-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OC(=O)Cc1cc(C)ccc1C 2331129934 IJLMCOJFTSYKGC-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC(=O)CC(C)C 2331239959 YXCQSUYBZSVBIR-UHFFFAOYSA-N 437.319 5.858 30 10 IKEE CCCCc1nnc(SC)n1N=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2331313320 DBDKFGOUFATEPK-UHFFFAOYSA-N 449.407 6.111 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(Cl)c(OC(=O)c2cccs2)c(OC)c1 2331351342 KMZBHBDRNBCVHY-UHFFFAOYSA-N 442.920 5.842 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccccc2Cl)c(Cl)c1 2331358549 LMQNHBPSISFRBK-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1)c1ccc2c(c1)OCCO2 2331396631 XDGUUIVULKOGBZ-UHFFFAOYSA-N 436.463 5.726 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)c1ccc2c(c1)OCO2 2331431959 IBFYIFJNNHLBFS-UHFFFAOYSA-N 441.266 5.837 30 10 IKEE COc1ccc(C=Nn2c(CC(C)C)nnc2SCc2cccc(Cl)c2)cc1O 2331470668 CBUZSWWJAZTYRG-UHFFFAOYSA-N 430.961 5.019 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1[N+](=O)[O-])c1ccc(F)cc1 2331474018 WYHAIKZKKTZTPK-UHFFFAOYSA-N 441.414 6.002 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2cccc(Cl)c2)cc1 2331754507 GFXXVXFFLBIMGL-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)Cc1ccccc1Cl 2331780035 TUHHYECCSZZTST-UHFFFAOYSA-N 448.946 6.318 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(Cl)c2)ccc1OC(=O)c1cccs1 2331834690 YOGPKYYMFPPBEG-UHFFFAOYSA-N 442.920 5.924 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3cccc(C)c3)c(Cl)c2)cc1C 2331841084 LHRVXMOUURQUPK-UHFFFAOYSA-N 434.919 6.389 30 10 IKEE C[C@@H](CCNC(=O)OC(C)(C)C)CCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339597537 RKIBRNHEEHZCJZ-SFHVURJKSA-N 446.397 5.046 30 10 IKEE CCc1cccc(C)c1NC(=S)N/N=C1\C(=O)N(Cc2cccc(C)c2)c2ccccc21 3041392 ZNCQIBOGSUSJIL-COOPMVRXSA-N 442.588 5.103 30 10 IKEE COC(=O)c1ccc(/C=N/c2ccc3oc(-c4ccc(Br)cc4)nc3c2)cc1 3202427 QPMFWOVRCQXTJL-ZMOGYAJESA-N 435.277 5.795 30 10 IKEE Cc1cc(C)c(S(=O)(=O)Oc2ccc(/N=C/c3cccc4ccccc34)cc2)c(C)c1 8383703 UGKHSNURYKHSKY-WPWMEQJKSA-N 429.541 6.283 30 10 IKEE COc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](C)C3)[C@@H]2c2ccccc2)cc1 17102305 PBICLIAEHRNSOA-MYUZEXMDSA-N 438.527 5.762 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccco2)cc1OC 21225460 AYNJACQHVAXUSO-MRDQGFSESA-N 430.504 5.666 30 10 IKEE COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2C)c1 21245145 YBRBBOXXURWBKL-JMQGSBJISA-N 440.543 5.992 30 10 IKEE COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(O)cc2)c1 21248925 SZGDCJMVPUWPOY-CBZJRKILSA-N 442.515 5.389 30 10 IKEE COc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccccc1[N+](=O)[O-] 21259143 ZFDTZPJYDJAGJM-AKJBCIBTSA-N 441.487 5.583 30 10 IKEE CCn1nc(C)c(CN/C(=N/C(=O)c2ccccc2C)Nc2cc(Cl)ccc2C)c1C 32972201 NVGBDGPRNRHZDO-UHFFFAOYSA-N 437.975 5.188 30 10 IKEE CCOc1cc(C)c(/C=C2\S/C(=N/c3cccc(C(=O)O)c3)N(C)C2=O)cc1C(C)C 35656849 JYUONDOWBGLLEH-CQJVDGAYSA-N 438.549 5.449 30 10 IKEE CC1=NN(/C(=N/c2nnc(C)s2)Nc2ccccc2)[C@@H](c2cccc3ccccc23)S1 39365167 XFVDJYLPGSKDJT-OAQYLSRUSA-N 444.589 6.180 30 10 IKEE C=CCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccc(C)cc2)c1 39879818 ZUEKFTKRWUDTFV-VWLOTQADSA-N 437.495 5.724 30 10 IKEE C=CCc1ccccc1OCCn1c(CCCNC(=O)c2cccs2)nc2ccccc21 40205619 WTKKFJYMRVJOAJ-UHFFFAOYSA-N 445.588 5.268 30 10 IKEE C=CCc1ccccc1OCCCn1c(CCCCCNC(=O)CC)nc2ccccc21 40211140 GQYFVZCIJXMFPQ-UHFFFAOYSA-N 433.596 5.473 30 10 IKEE CNc1ncnc(Nc2cc(Cl)c([C@@H](C#N)c3ccc(Cl)cc3)cc2C)c1[N+](=O)[O-] 40587428 ORFRLHQUCHOQRY-HNNXBMFYSA-N 443.294 5.441 30 10 IKEE CN(Cc1ccccc1)Cc1c(O)ccc2c1O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 41514696 RPUICTTVILQJST-XYGWBWBKSA-N 427.544 5.938 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3cccs3)C4)C2=O)c1 41587177 KLFSVOPYAWJQGI-JJFYIABZSA-N 449.528 5.042 30 10 IKEE CCN(CC)c1ccc(/C=C\C(=O)c2c(C)nc3ccccc3c2-c2ccc(C)cc2)cc1 96035401 IAIRBFSTVDVFID-HKWRFOASSA-N 434.583 7.261 30 10 IKEE CCCCCCCOc1ccc([C@H]2Nc3ccccc3C(=O)N2CCCOC)cc1OC 100136919 ZKNHRAIGIPOHRW-VWLOTQADSA-N 440.584 5.647 30 10 IKEE C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)Nc1cccc(NC(=O)[C@]34CC[C@@H](C3)C(C)(C)C4=C)c1)C2 100845741 APEJVXKVLQISIY-LNYGVPGBSA-N 432.608 6.329 30 10 IKEE C=CCN1C(=O)/C(=C/C=C/c2ccccc2)S/C1=N/c1nc(-c2ccccc2)cs1 101130598 VODSQKPVTNJECU-OZQTXGFMSA-N 429.570 6.156 30 10 IKEE CCCCCCCCCCCn1c(CCCNC(=O)c2ccccc2C)nc2ccccc21 102149176 LYDREKBRRQWDGR-UHFFFAOYSA-N 447.667 7.238 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OC(=O)c4cccs4)ccc3C2=O)c2cc(OC)ccc21 103024448 VEQVRGMSPYMEBS-JJFYIABZSA-N 445.496 5.567 30 10 IKEE CO/N=C(\C)[C@H]1/C(=N/OC)C[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118914451 KLCZPBNZZJGNRW-RDVQYMIHSA-N 432.605 5.212 30 10 IKEE CCCCCCOc1ccc(/C=N\Nc2nc(-c3ccc(C)cc3C)cs2)cc1OC 169941733 DTIKXBHNPBUELJ-QQXSKIMKSA-N 437.609 6.841 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc(F)cc2)=C(O)C(=O)N1c1ccc(C)c(C)c1 169943225 WKCDLHQDPDUIBM-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE CN(C)c1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCCC2)cc1 169956940 QFDQJKBMHSSOOJ-QFIPXVFZSA-N 438.955 5.317 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccc(C(C)C)cc2)c1 169967805 OYTOTGNDVLNZLG-QFIPXVFZSA-N 446.572 5.975 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1cccc(C)c1 169970197 YSDIBRKPRMTXJB-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc(C)c2)c1 169972862 JQLHGVPQEIBOIF-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccccc2)cc1 170052699 JDLPYAFXASPTAX-HSZRJFAPSA-N 431.463 5.316 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2ccccc2C)cc1 170089325 MQWILRCLRMKRRW-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2ccc(F)cc2)c1 170140732 IHPLMGNEOAPFNY-UPCLLVRISA-N 443.474 5.240 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccc(C)c2)ccc1Cl 170141540 MEBSBURDFSYQBJ-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@H]1c1cccc(C)c1 170147350 LOFJMYKFQOWGSM-XMMPIXPASA-N 449.591 6.070 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1OC(C)C 170150897 MILYGHXNEFQRPB-OAQYLSRUSA-N 427.928 5.506 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1OC(C)C 170151359 SNYHFXCFRKJTAJ-DEOSSOPVSA-N 429.516 5.615 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@H]1c1cccc(OC(C)C)c1 170153696 IMUYQTXQRJOMTG-HSZRJFAPSA-N 437.536 5.088 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1cccs1 170157429 JPXYCKHJWFFOFM-QFIPXVFZSA-N 447.556 5.843 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccs2)c1 170158561 PRHQHZQDLSHDCC-MWTRTKDXSA-N 445.540 5.471 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2cccs2)ccc1OC(C)C 170162953 ACZPIUDGEVEVSN-JOCHJYFZSA-N 448.544 5.017 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccnc2)c1 170185480 LBNMCMGSSFWWDA-QFIPXVFZSA-N 448.906 5.225 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1 170230495 QMNYRFKKMKOSRN-HSZRJFAPSA-N 429.516 5.664 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccccc2F)c1 170248745 PYIQNSTXTZQHTC-HSZRJFAPSA-N 447.462 5.103 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccccc2C)c1 170271614 DAOLKRRTFOKTPT-IQGLISFBSA-N 439.511 5.410 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1Cc1cccnc1 170316862 HUSMYBSEGYECIS-JOCHJYFZSA-N 444.556 5.109 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(C(C)C)cc2)cc1 170378565 GJMKDRQNEZOGCR-XMMPIXPASA-N 445.584 6.778 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(C(C)(C)C)cc2)cc1 170390545 UJWAEPVXCOUNEZ-XMMPIXPASA-N 440.543 5.724 30 10 IKEE Cc1c([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)c2ccccc2n1C 526522848 TUCBWFOVFFDXJS-VWLOTQADSA-N 437.474 5.555 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1/N=C\c1ccccc1OCC(C)C 526803555 ZTTTYHFMHJMFCO-QFEZKATASA-N 426.561 5.579 30 10 IKEE Cc1ccccc1/C=N\n1c(CCc2ccccc2)nnc1SCc1ccccc1F 526803772 MQMZOQGWQUNLFI-PKAZHMFMSA-N 430.552 5.685 30 10 IKEE CCOc1cc(/C=N\n2c(C)nnc2SCc2c(Cl)cccc2Cl)ccc1O 526815126 VXULTQUGAUEBMA-YVNNLAQVSA-N 437.352 5.172 30 10 IKEE CCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1ccc(Cl)c([N+](=O)[O-])c1 526825198 OAMYAWMWPKJXIP-JJFYIABZSA-N 433.896 5.106 30 10 IKEE Cc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2cccc(C(F)(F)F)c2)cc1C 586212432 MIXJNZMWVIEULP-UHFFFAOYSA-N 444.478 5.589 30 10 IKEE C=CCCN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccc(CCCCCC)cc1 586232456 FAEJBIBJLKDHBH-UHFFFAOYSA-N 429.582 5.367 30 10 IKEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 586707947 HVNSOWYRFLAPBP-UHFFFAOYSA-N 427.504 5.937 30 10 IKEE CCCCCCC[C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 705428249 CDJPKAPCJKEIAF-OEMFJLHTSA-N 434.665 6.214 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H]1CCC[C@]1(C#N)N(CC1CC1)C(=O)OC(C)(C)C 710769812 QZBUNGOBTAIWPH-UMEGOILYSA-N 447.620 5.486 30 10 IKEE C=CCn1cc(C=Nc2sc3c(c2C(=O)NCc2ccco2)CCCC3)c2ccccc21 1083924654 CWUYIEYEXRLKTG-UHFFFAOYSA-N 443.572 6.041 30 10 IKEE O=C(Nc1ccccc1)c1c(N=Cc2cc3c(cc2Cl)OCO3)sc2c1CCCC2 1084136381 VGNMFKSQFXPSPP-UHFFFAOYSA-N 438.936 6.012 30 10 IKEE CCCN1/C(=N/c2ccc(C)cc2)S[CH][C@@H]1c1ccc(S(=O)(=O)N2CCCC2)cc1 1614593123 FZPUKVNZOWYVBI-PDWGEAQMSA-N 442.630 5.129 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)SC1=Nc1cccc(C)n1 1772732205 VRCUWYHCHSDIFK-BMBZWDQTSA-N 443.572 5.901 30 10 IKEE Cc1c(C(=O)NCc2ccccc2Cl)oc2c1C(=NNc1ccc(F)cc1)CCC2 1772750071 WSJMYPDBJBZVLO-UHFFFAOYSA-N 425.891 5.463 30 10 IKEE Cc1ccccc1C=NN=C1S/C(=C/C=C\c2ccccc2)C(=O)N1Cc1ccco1 1772756823 DPYAJECKBJBKRU-UPEGKCBUSA-N 427.529 5.651 30 10 IKEE N#Cc1cccc(NC(=O)Oc2cccc3c(NC(=O)c4ccc(F)c(F)c4)cccc23)c1 1858776224 RIKNWQVYHUYHNN-UHFFFAOYSA-N 443.409 5.853 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc3c(OC(=O)NCCc4ccccc4)cccc23)c1 1858944705 NJRJGPZYAJSEHZ-UHFFFAOYSA-N 435.483 5.295 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 1861055677 XOACFEVOMHBCAG-HXUWFJFHSA-N 427.416 5.855 30 10 IKEE CCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)C(C)(C)Oc1ccc(Cl)cc1 1861464703 BEQBBRJYNFSWFA-HSZRJFAPSA-N 425.013 5.259 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCSC)NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 1861564470 IPSQHYFOHPIMSK-IOUNIBQOSA-N 446.701 5.712 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc2nc(-c3ccc(OC)c(Cl)c3)[nH]c2c1 1861873092 BPOYCIGVLLSEDE-UHFFFAOYSA-N 442.003 6.762 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccc(C)cc2)cc1 1862445430 VUQRUPJOKNDSJT-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCCCO)[C@H]1c1cccc2ccccc12)c1cccc(Cl)c1 1862449603 OTGKAUUUFVDJIG-QHCPKHFHSA-N 449.934 5.234 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(F)cc1F 1862464458 YHJOEEURBBFPKH-IBGZPJMESA-N 439.380 5.151 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccc(OC)cc2)cc1 1862474462 NWWVUOMJNFZLNI-RUZDIDTESA-N 441.527 5.345 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2ccc(O)cc2)cc1 1862474493 OUNDUQWEHGSBAR-QFIPXVFZSA-N 433.891 5.133 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cc(C)ccc2C)c1 1862477570 ZGWDSWQXAMQCQK-RUZDIDTESA-N 441.527 5.399 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(C(=O)O)cc1 1862615118 HTCIEDMMXGMABN-BTYIYWSLSA-N 435.520 5.059 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc(Cl)c1)c1cccc2ccccc12 1862651762 AERLMWFPQQWHQX-HSZRJFAPSA-N 443.886 5.865 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCCCN(C)C)cc1 1862662618 JMVZHAHBUSJENP-RUZDIDTESA-N 448.607 5.293 30 10 IKEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccc2ccccc12 1862666745 LIFOQWDBDZPBAG-XMMPIXPASA-N 429.516 5.188 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1 1862674124 SRIRJADVVNBSBL-OAQYLSRUSA-N 439.845 5.397 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(C(F)(F)F)cc1 1862705826 HWRTXOMEBHSDQQ-BFUOFWGJSA-N 433.426 5.091 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccccc1)c1ccc2ccccc2c1 1862713517 QEKKFBYMZLBAFU-SANMLTNESA-N 433.507 5.661 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccc2ccccc12 1862755506 CHAUVGYJMPXLLD-QHCPKHFHSA-N 444.487 5.517 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3cccc(Cl)c3C)C2=O)cc1C 1862870062 UZFKBRNYCIHGBN-UHFFFAOYSA-N 441.918 5.534 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(CCCC)cc2)=C(c2cccs2)C1=O 1863471486 VQKTXACRRDKINI-UHFFFAOYSA-N 438.637 6.643 30 10 IKEE CCCCCCCCN1C(=O)C(NCCc2cccs2)=C(c2ccccc2F)C1=O 1863648143 NZGUFZDUZFGCHN-UHFFFAOYSA-N 428.573 5.160 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)c2cc(C)nc3c(Cl)cccc23)c1 1866274236 PMSZDXVPIZDHGI-UHFFFAOYSA-N 439.902 5.860 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)nc(CCOC)n1 1869112299 AGGJAIIEGNGBFH-HSZRJFAPSA-N 434.628 5.483 30 10 IKEE CCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSc1ccc(C)cc1 1870232741 IAOYGPXCIYSNDH-UHFFFAOYSA-N 432.589 6.090 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(CC)cc2)cn1Cc1ccccc1 1870464247 AYPQTXJIWLFQAP-UHFFFAOYSA-N 428.576 5.212 30 10 IKEE CCCCCCCOc1cn(Cc2ccco2)c(CNc2ccc3[nH]ncc3c2)cc1=O 1870836847 XUAJABKBPHVKEF-UHFFFAOYSA-N 434.540 5.327 30 10 IKEE CCCCCCCOc1cn(CCCCC)c(CNc2ccc(C)c(Cl)c2)cc1=O 1870837350 BCCPVQCZWWDZPD-UHFFFAOYSA-N 433.036 6.962 30 10 IKEE C=CCn1cc(OCc2c(Cl)cccc2Cl)c(=O)cc1CNc1ccc(OC)cc1 1871049273 CYZWSTFJZMHAGX-UHFFFAOYSA-N 445.346 5.541 30 10 IKEE CCn1cc(/C=C2\Oc3c(cc4c(c3C)OCN(CCC(C)C)C4)C2=O)c2ccccc21 1871359741 YOXWLRJIEMUMRQ-CFRMEGHHSA-N 430.548 5.784 30 10 IKEE Cc1c(OC(=O)c2cccc(Br)c2)ccc2c1O/C(=C\c1ccccc1)C2=O 1871364108 GVUFRYHKOAMENS-NDENLUEZSA-N 435.273 5.593 30 10 IKEE CC(C)(Oc1ccc(Cl)cc1)C(=O)Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O 1871384633 BEHBQXQWKXWQKL-MOSHPQCFSA-N 440.904 5.781 30 10 IKEE CCCCCCCCN=c1nc(N2CCCCCC2)[nH]c(=NCCCCCCCC)[nH]1 1871468932 MXNGLWAYRDZKMR-UHFFFAOYSA-N 432.701 5.641 30 10 IKEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1871896399 KGTLIBQRAKIARU-QHCPKHFHSA-N 442.625 5.213 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccccc1C(C)C)C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1872435533 OAORYHAQOJIDHH-QFIPXVFZSA-N 449.016 5.303 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(OC)c(OC)c3)n2)cc1 1872762200 GDIWTPYQRJQZQU-TZTLJZABSA-N 446.572 6.060 30 10 IKEE COc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 1872764871 AJRJVXDUZPBQHY-KRWDZBQOSA-N 427.323 5.000 30 10 IKEE CCOc1cc(C(=O)[C@@H](C#N)c2nc(-c3cccs3)cs2)cc(OCC)c1OCC 1872770826 FYBIBMYUIQIWQT-OAHLLOKOSA-N 442.562 5.558 30 10 IKEE C=CCOc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2cccc3ccccc23)cs1 1872775077 JSKVBUWZPAKVTB-NRFANRHFSA-N 440.524 5.783 30 10 IKEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1C 1872783178 UFXDIPLHROJYQW-NRFANRHFSA-N 445.588 5.331 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)/C=C/c2ccc(F)cc2)n1 1872786040 CGRYBIGLNBWITI-KRZKXXONSA-N 426.900 5.809 30 10 IKEE N#C[C@H](C(=O)c1ccc(-c2ccccc2)cc1)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872788405 ZGHHFBLZKXBCPX-HXUWFJFHSA-N 449.362 7.274 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccc(F)cc2)=C(c2cccc(OC)c2)C1=O 1873045155 YHOBNPCTPBJQPZ-UHFFFAOYSA-N 438.543 5.065 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCCC)=C(c2cccc(Br)c2)C1=O 1873052356 BSZAZDNYOAZQFN-UHFFFAOYSA-N 449.433 5.669 30 10 IKEE CCCCCCCCNC(=O)c1cc2c(N3CCCCC3)ncnc2n1Cc1ccco1 1873596805 NGFNYGRGEXNTEP-UHFFFAOYSA-N 437.588 5.153 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(Cc3ccccc3)cc1)n2CCCC 1873612916 OUWDUXYEUYWZDA-UHFFFAOYSA-N 439.563 5.672 30 10 IKEE Cc1ccccc1OCCCc1nnc(SCc2ccccc2)n1/N=C/c1cccs1 1874250354 ZDUHKPBSTZRQCX-KOEQRZSOSA-N 448.617 5.834 30 10 IKEE CCCSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1cccc2ccccc12 1874261005 DBNDXFNTZROJJN-VULFUBBASA-N 438.503 5.673 30 10 IKEE COc1cc(/C=N/n2c(CCc3ccccc3Cl)nnc2SC)ccc1OC(C)C 1874275702 CZMUAHVEAOOCBP-ZVHZXABRSA-N 444.988 5.117 30 10 IKEE C=CCSc1nnc(CCc2ccccc2OC)n1/N=C/c1c(F)cccc1Cl 1874313757 MANYJFBHWXUYCQ-ZVHZXABRSA-N 430.936 5.025 30 10 IKEE Fc1ccc(CSc2nnc(CCc3cccs3)n2/N=C/c2cccs2)cc1 1874368437 AJESPEGSHZKWRD-LPYMAVHISA-N 428.583 5.500 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccccc2F)cc1 1874388456 NEPGVFMSSSYJBT-JFLMPSFJSA-N 434.515 5.630 30 10 IKEE CCN(Cc1ccccc1)c1ccc(/C=N/n2c(CC3CCCCC3)nnc2SC)cc1 1874405797 PMYHJBNGMLGVBZ-ZXVVBBHZSA-N 447.652 6.032 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(CC(C)(C)C)n2/N=C/c2ccccc2C)c1 1874437761 RASMBALVQOCDCS-CVKSISIWSA-N 449.624 5.405 30 10 IKEE CCOc1cc(/C=N/n2c(CC(C)(C)C)nnc2SCc2cccc(C)c2)ccc1O 1874437840 WGWDGDZJFDDLTI-MFKUBSTISA-N 438.597 5.454 30 10 IKEE O=[N+]([O-])c1cc(/C=N/n2c(SCc3ccccc3)nnc2C2CCCC2)ccc1Cl 1874454692 LSSXIJKATCSLIE-YDZHTSKRSA-N 441.944 5.672 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3ccccc3F)nnc2C(C)(C)C)c1 1874484420 VNFTWUJLQATLIL-MFKUBSTISA-N 426.561 5.678 30 10 IKEE C=CCSc1nnc(CCC)n1/N=C/c1ccc(OCc2ccc(C)cc2)c(OC)c1 1874508433 DCXSKTWCUWXFQD-PCLIKHOPSA-N 436.581 5.287 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2ccccc2F)cc1 1874572306 GRZFXYRXGWGJBT-FOCLMDBBSA-N 433.479 5.310 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)NCc2ccccc2)cc1 1874573446 OMUNFWHWWXTVNX-VHEBQXMUSA-N 427.544 5.621 30 10 IKEE CCc1ccc(NC(=O)COc2c(/C=C/C(=O)c3ccc(C)cc3)cccc2OC)cc1 1874579907 OCGUNBVUQJKAJH-SAPNQHFASA-N 429.516 5.480 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccccc2Cl)cc1 1874583118 XHMAIJNXNPDHPQ-GXDHUFHOSA-N 439.382 7.766 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2cc(Br)ccc2OC)cc1 1874584609 XBDATELKCURNSC-GXDHUFHOSA-N 431.370 6.703 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)c1C 1874586708 AHRWHKMRRKHRLD-CCEZHUSRSA-N 438.542 7.688 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1OCc1cccc2ccccc12 1874594347 FGKNQSNHKSGTAG-UKTHLTGXSA-N 430.450 6.602 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc([N+](=O)[O-])c1OCc1ccc(F)cc1 1874605311 WINNYYZGOLEDMZ-NTEUORMPSA-N 449.478 6.170 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccc(OCCc2ccccc2)cc1 1874628506 HKMCUACGNKFPSC-FMIVXFBMSA-N 427.327 6.520 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1)NCc1ccccc1 1874637885 WZJGYDSANIGAFA-MDWZMJQESA-N 440.326 5.585 30 10 IKEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1OC 1874638169 LBHLRNYTLQCVAL-UXBLZVDNSA-N 436.335 5.145 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c(C)c3)c2)c(OC)c1 1874696184 MIWGRMOHUVCMAP-XYOKQWHBSA-N 446.499 5.065 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)[C@H](Cc2ccccc2)c2ccccc2)c1)c1ccccc1 1874700515 XLRGYDRUELCMNB-ZVBLBKCWSA-N 432.519 6.515 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)c(C)c1 1874702023 GBFUAMMNTJCHNA-YRNVUSSQSA-N 435.863 5.980 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3[nH]c4ccc(C)cc4c3C)cc2)cc1C 1875107549 WBVHWXAUXOQCFM-MDWZMJQESA-N 439.511 6.217 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccs3)c(OCC)c2)cc1 1875139046 OYGPHXWBJQCWBJ-NTUHNPAUSA-N 436.529 6.051 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccccc2F)c([N+](=O)[O-])c1 1875143364 WHXQFZPFYPZQEN-CSKARUKUSA-N 435.407 5.166 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)cc(Cl)c1OC(=O)[C@@H]1CCCO1 1875145847 WGGVJBBUZDLJJV-SHBDEGQCSA-N 444.911 5.036 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OC(=O)CCc1ccccc1 1875155809 BDLIZGKPUIOSGG-SAPNQHFASA-N 436.507 6.283 30 10 IKEE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2)cc1 1875157717 LQUCYPOVHVNOND-KCCVMSORSA-N 432.491 6.218 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)C3CCC3)c([N+](=O)[O-])c2)cc1C(C)C 1875163014 PWILTYSPOCULCY-CSKARUKUSA-N 437.492 5.637 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OC(=O)CCOc3ccccc3)cc2)c1C 1875168638 NKOOUXWSSMCEDR-NTCAYCPXSA-N 428.528 6.191 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)Cc1ccccc1OC 1875176308 BLGNODFNEZOKGU-SDNWHVSQSA-N 444.527 5.755 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)c1sccc1C 1875185631 HOHXTAYNNCENST-DHZHZOJOSA-N 448.584 6.786 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1cc(Br)cc(Br)c1 1922089316 OQDQEGNLEQLPTF-IBGZPJMESA-N 439.191 5.635 30 10 IKEE C#CCN(Cc1ccccc1)C(=O)c1ccc(NC(=O)OC(C)(C)C)c(C(F)(F)F)c1 2009888371 VDFHBOKAPHWDAW-UHFFFAOYSA-N 432.442 5.328 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)C2(C#N)CCC(C)(NC(=O)OC(C)(C)C)CC2)c1 2027794662 YIALKILDCGPOKC-UHFFFAOYSA-N 443.588 5.856 30 10 IKEE CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2032542000 ROIBBCRBPRQFCH-CLOONOSVSA-N 449.636 5.876 30 10 IKEE CCC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(OC)c1 2033622521 BWOUABBYOISHDH-PXNSSMCTSA-N 447.576 5.270 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1scc(Br)c1C 2041204349 OLLMWWVUGOWJOW-CVEARBPZSA-N 429.424 5.166 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCc3ccccc3)c2)cc1CSCC(=O)O 2042434304 ARMMUHBKBQDJQN-UHFFFAOYSA-N 448.540 5.488 30 10 IKEE C=C1CC(C[C@@H](NCCC)C2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)C1 2061665901 VEKJXMYSHXSQGZ-XMMPIXPASA-N 441.660 5.270 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)cc1Cl)NCCC 2063095319 QGPACODIUQMTCT-SJORKVTESA-N 431.802 5.093 30 10 IKEE CC#CC[C@H](NCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071348765 JUDWCAXWPIMKBP-LBNVMWSVSA-N 429.560 5.270 30 10 IKEE CC(C)c1nn(-c2nc(C(F)(F)F)ccc2F)c(C(F)(F)F)c1C(=O)OC(C)(C)C 2079243356 SVTDGPXAZWWEBM-UHFFFAOYSA-N 441.347 5.523 30 10 IKEE O=C(O)c1c(C(F)(F)F)nn([C@H](c2ccc(C(F)(F)F)cc2F)C2CCC2)c1Cl 2079970557 UHBYQVXDISGTJX-LBPRGKRZSA-N 444.734 5.801 30 10 IKEE CCCc1ccc([C@H](n2nc(C)c(C=NO)c2I)C(C)(C)C)cc1 2080006387 QHACAJBPWNGCSX-KRWDZBQOSA-N 439.341 5.192 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]([C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccccc2)CC1 2082140401 PKNTZFBCNHAYFI-HHJKRLRDSA-N 443.588 5.794 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)C1(CCF)CCN(C(=O)OC(C)(C)C)CC1 2082225164 PCMAGAUEYOBWAU-HSZRJFAPSA-N 448.623 5.505 30 10 IKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCN(C(=O)OC(C)(C)C)C12CCCCC2 2083809828 YMKADKCUMPFODH-KBMIEXCESA-N 449.636 6.018 30 10 IKEE CC(C)(C)OC(=O)NC(C)(C)c1ccc(Nc2ccc(Br)cc2C#N)cc1 2162295695 HRWIKOQVKBAKCY-UHFFFAOYSA-N 430.346 5.824 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H](Nc2cc(Br)c(C#N)cc2F)C1 2162337934 MUXJUTHBVNAZFD-QGZVFWFLSA-N 438.341 5.051 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)C1([C@@H]2CCCCO2)CC1 2164393164 CEUGEIWZJSLWFI-MSOLQXFVSA-N 435.362 5.432 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1sc(C)c(C)c1Br 2229303045 AAINOLHXMAHDFQ-RDJZCZTQSA-N 445.467 6.028 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)c1csc(CNC(=O)OC(C)(C)C)c1 2235726311 OZHQDUBSACFIPZ-IBGZPJMESA-N 449.414 5.238 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@@H]2CCCC[C@@H]2N(C(=O)OC(C)(C)C)C1 2246639785 ZQZYYXNNGMTXAK-JXQFQVJHSA-N 435.609 5.341 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)c1cscc1OCc1ccccc1 2278769752 SUPAWBQRFWJPPE-OAQYLSRUSA-N 426.379 5.792 30 10 IKEE CC(C)(C)OC(=O)N[C@H](CCNc1c(Br)cccc1C#N)c1ccccc1 2285180062 ARNTXDBOXZHZKS-GOSISDBHSA-N 430.346 5.389 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)CCN(C(=O)OC(C)(C)C)C(C)(C)C 2296308833 NGOCQDJJRBAVMH-LJQANCHMSA-N 437.422 5.204 30 10 IKEE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CC)C2=O)cc1 2296540280 LBJNAPCRWZIAOS-UHFFFAOYSA-N 447.585 5.325 30 10 IKEE COc1ccc(C=C2C[C@@H]3[C@@H]4CCc5cc(OC(C)=O)ccc5[C@@H]4CC[C@]3(C)C2=O)cc1 2297109187 FJIRFWDJPBXNKB-NLFSJDMNSA-N 430.544 5.739 30 10 IKEE O=C1C(=CC=Cc2ccccc2[N+](=O)[O-])SC(=Nc2nccs2)N1C1CCCCC1 2314542272 ISTRRHWFBOJBLT-UHFFFAOYSA-N 440.550 5.544 30 10 IKEE CCCCCCCCCOc1ccc(C=Nn2c(S)nnc2C2CCC2)c(Cl)c1 2321901655 CFAPZZOWXQXNCZ-UHFFFAOYSA-N 435.037 6.499 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)O3)CN(Cc1ccc(F)cc1)CO2 2322052132 PNIKADOFDJETAQ-UHFFFAOYSA-N 446.434 5.011 30 10 IKEE COc1ccc([C@H](C)N2COc3ccc4c(c3C2)OC(=Cc2ccccc2OC)C4=O)cc1 2322238803 RZXZRHVZPSAVFM-KRWDZBQOSA-N 443.499 5.233 30 10 IKEE C[C@H](c1ccc2c(c1)CCCC2)N1COc2ccc3c(c2C1)OC(=Cc1ccccc1)C3=O 2322256112 HDAZTOYSVDFOHU-LJQANCHMSA-N 437.539 6.095 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(N(C)C)cc1)C3=O)CN(C1CCCCCC1)CO2 2322362613 BIOWMHKYYGPBOH-UHFFFAOYSA-N 432.564 5.552 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCc2ccc(Cl)cc2Cl)cc1C 2322401737 ISLYKVHRGHBORY-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(Cl)cc2)c1OCc1nc(O)c2ccccc2n1 2322542327 ZCBHLEMUKIQIKB-UHFFFAOYSA-N 446.890 5.473 30 10 IKEE COc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2c(F)cccc2Cl)C3=O)c1 2322724594 KFIPOHGKONJEIZ-UHFFFAOYSA-N 438.838 5.632 30 10 IKEE C=C(C)CN(Cc1ccccc1)C1(C(=O)O)CCC2(CCCN2C(=O)OC(C)(C)C)CC1 2322839108 UGNMDIMDGHOKPT-UHFFFAOYSA-N 442.600 5.232 30 10 IKEE Cc1cccc(COc2ccc(Br)cc2C=CC(=O)c2c(C)cc(C)cc2C)c1 2322948423 XHNDCPRBBGOMHK-UHFFFAOYSA-N 449.388 7.158 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OCC(=O)NCc3ccccc3)c2)cc1 2323157580 VMAKZYOOQUOXJM-UHFFFAOYSA-N 429.516 5.067 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OCC(=O)Nc1cc(C)ccc1C 2323164396 ZZEGFIRSTBKBPH-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE O=C(C=Cc1ccc(Cl)cc1Cl)Oc1ccc2c(c1)OC(=Cc1ccco1)C2=O 2323461469 MSCSZYQQZVATAF-UHFFFAOYSA-N 427.239 5.821 30 10 IKEE Cc1c(OC(=O)C=Cc2ccc(C(C)C)cc2)ccc2c1OC(=Cc1cccc(F)c1)C2=O 2323503939 VQYPWIVYQOFECE-UHFFFAOYSA-N 442.486 6.493 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4cc(Cl)ccc4Cl)ccc3C2=O)cc1 2323581259 MSOUYVYSAVIBQH-UHFFFAOYSA-N 425.267 6.137 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OCC(=O)N[C@@H](C)c2ccccc2)c(Cl)c1 2323701133 NAHSMGNUIXISKJ-SFHVURJKSA-N 449.934 5.501 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(OCC)c(OCc3ccccc3)c([N+](=O)[O-])c2)cc1 2323839678 PMIMUWSRKBCFCC-UHFFFAOYSA-N 447.487 5.867 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(C)c2)C3=O)cc1 2323866133 UQBUUXSHRWAKTK-UHFFFAOYSA-N 426.468 5.704 30 10 IKEE Cc1cc(O)c(CN(C)C2CCCCC2)c2c1C(=O)C(=Cc1c(Cl)cccc1Cl)O2 2324077338 PISGOMXSONNHCX-UHFFFAOYSA-N 446.374 6.388 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3cc(OCCCOc4ccccc4)ccc3C2=O)cc1 2324234414 YPAAQDAVPYHXRV-UHFFFAOYSA-N 428.528 6.448 30 10 IKEE C=C(C)COc1c(Cl)cc(C=CC(=O)c2cc(OC)c(Cl)cc2OC)cc1OC 2324405485 FRINCKALWBFTBR-UHFFFAOYSA-N 437.319 5.870 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2C)C3=O)c1 2324464629 QJUYPYBSZIBLME-HXUWFJFHSA-N 441.527 5.942 30 10 IKEE Cc1ccccc1OCCCCOc1cc(C)c2c(c1)OC(=Cc1ccccc1Cl)C2=O 2324598811 IHNOCNUBQVEGKN-UHFFFAOYSA-N 448.946 6.811 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2c(c1)OC(=Cc1cn(CC)c3ccccc13)C2=O 2325198326 IKBJHNIGWODZHE-UHFFFAOYSA-N 446.547 5.305 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(C(=O)O)cc1 2325535395 JQFSSUQYTJFECF-UHFFFAOYSA-N 428.945 5.147 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(C(C)C)cc1 2325565336 ZSPLSODGDDMPOG-UHFFFAOYSA-N 428.605 6.682 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3c(OC)cccc3OC)c2)cc1 2325739283 YZCUBBHZBNQFAL-UHFFFAOYSA-N 446.499 5.608 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OC(=O)CCc1ccccc1 2325750392 FJZAGZHNBALTCL-UHFFFAOYSA-N 428.528 6.253 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(OCC)c(Cl)c1 2326552253 ZMNBEJQDSZAXQH-UHFFFAOYSA-N 449.407 6.111 30 10 IKEE CCCSc1nnc(COc2ccc(OCC)cc2)n1N=Cc1ccc(C(C)C)cc1 2326689175 WMRUECFBXMVASJ-UHFFFAOYSA-N 438.597 5.764 30 10 IKEE C=CCSc1nnc(CCOc2ccccc2)n1N=Cc1ccc(Cl)cc1Cl 2329208975 XSRYZNWESBZFKP-UHFFFAOYSA-N 433.364 5.367 30 10 IKEE C=C(C)CSc1nnc(CCc2cccs2)n1N=Cc1c(Cl)cccc1Cl 2329662379 IYJRTIZKSDYTOU-UHFFFAOYSA-N 437.421 5.982 30 10 IKEE Cc1ccsc1C=Nn1c(CC2CCCCC2)nnc1SCc1ccccc1F 2330272917 SMQBQGUZBIWUJS-UHFFFAOYSA-N 428.602 6.084 30 10 IKEE O=[N+]([O-])c1cccc(C=Nn2c(SCc3cccc(F)c3)nnc2-c2cccs2)c1 2330556336 DXOASZGEVFVIEY-UHFFFAOYSA-N 439.497 5.228 30 10 IKEE FC(F)(F)c1ccc(C=Nn2c(SCc3ccccc3)nnc2-c2ccccc2)cc1 2330671106 WKOOHGYXAGIXQX-UHFFFAOYSA-N 438.478 6.138 30 10 IKEE Cc1cnc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)CCCC4)cc2Cl)cn1 2330683248 KHJLZZOHWQFUKH-UHFFFAOYSA-N 432.907 5.433 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1cncc(C)c1 2330824089 BMHCPMUTNWXJBB-UHFFFAOYSA-N 442.298 5.821 30 10 IKEE Cc1cccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2[C@@H]2CCCO2)c1 2330975580 AVAMLDSTOWYZGG-IBGZPJMESA-N 447.391 5.919 30 10 IKEE O=C(CCOc1ccccc1)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1Cl 2331142940 WHPQRAXIIGTMIM-UHFFFAOYSA-N 441.310 6.264 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)c1ccc(C)cc1 2331155031 KJDVWEPUONFVAF-UHFFFAOYSA-N 446.930 6.501 30 10 IKEE O=[N+]([O-])c1cccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2-c2ccco2)c1 2331225223 WKHUCRBJUGJEIO-UHFFFAOYSA-N 439.884 5.274 30 10 IKEE CCCOc1cccc(C=Nn2c(CCOC)nnc2SCc2ccc(Cl)cc2)c1 2331304882 QBSHUMJFIZVTRU-UHFFFAOYSA-N 444.988 5.084 30 10 IKEE CCSc1nnc(C(C)(C)C)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2331389049 LUOBYGRVXBMDMY-UHFFFAOYSA-N 428.989 5.802 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)c3c(F)cccc3Cl)cc2)cc1 2331412489 BQFOGRCZINMEDG-UHFFFAOYSA-N 436.910 6.892 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c(F)c2)cc1Br 2331456804 IIZLNVSXHXOALA-UHFFFAOYSA-N 435.289 5.589 30 10 IKEE Clc1ccccc1CSc1nnc(C2CCC2)n1N=Cc1ccc2c(c1)OCCO2 2331527473 BBKJTEPKIWGTEO-UHFFFAOYSA-N 440.956 5.145 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(C)C)n2N=Cc2ccc(Br)cc2)c1 2331699364 HJKJIYIKLGIXNH-UHFFFAOYSA-N 443.414 5.955 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3c(C)cc(C)cc3C)cc2)cc1OC 2331762818 ROHNAYVKXUAAGY-UHFFFAOYSA-N 430.500 5.744 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc(OC)c1OC(=O)C(C)C 2331801395 FNIWIRPASRGPQL-UHFFFAOYSA-N 434.576 6.487 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3OC)cc2)cc1Cl 2331815001 RMJLGQOFLMDEHI-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE C[C@H](c1cccs1)N(Cc1ccccc1)c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339574133 CZSIRNTXIWZIAY-HXUWFJFHSA-N 446.425 6.556 30 10 IKEE CC1(C)OB(/C=C/c2ccc(NC[C@@]3(C)CCN(Cc4ccccc4)C3)nc2)OC1(C)C 2339578496 HUWPWZMADFFFLU-QBQQZWISSA-N 433.405 5.050 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)ccc1OC 2364626127 WXVMLWVUKATVPQ-IEBWSBKVSA-N 441.410 5.358 30 10 IKEE C=CCCCCC[C@H](OCCCN)c1sc(Cl)cc1I 2366693510 XYGMYNXFWFHPPC-ZDUSSCGKSA-N 427.779 5.549 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H](Nc2ccc(C#N)cc2Br)[C@@H]1C(F)(F)F 2370056138 BQTLJBLJYJIRQL-LSDHHAIUSA-N 448.283 5.063 30 10 IKEE C=CCn1c(SC(c2ccccc2)c2ccccc2)nc2sc3c(c2c1=O)CCCC3 9779238 ONFJZZGFYLCNGL-UHFFFAOYSA-N 444.625 6.405 30 10 IKEE C=CCn1c(SCC(=O)N(C)c2ccccc2)nc2sc(-c3ccccc3)cc2c1=O 20788675 SIXNZNQMXNZFIH-UHFFFAOYSA-N 447.585 5.066 30 10 IKEE Cc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(OCc3ccccc3)c2)cc1 21230389 YLMXSTIFAJKWQV-ILBGXUMGSA-N 437.539 5.578 30 10 IKEE CCOc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(OCC(C)C)cc1)C2 21243643 VUGCEUOAVORCMM-UGKGYDQZSA-N 433.548 5.124 30 10 IKEE CCn1nc(C)c(CN/C(=N/C(=O)c2ccc(C(C)(C)C)cc2)Nc2ccccc2)c1C 32971617 VNPKFWPOMNAIPX-UHFFFAOYSA-N 431.584 5.215 30 10 IKEE CCN(C(=O)c1oc2c(c1C)/C(=N/Nc1ccc([N+](=O)[O-])cc1)CCC2)c1cccc(C)c1 40814789 HQUFCZHZOXSFJB-SZXQPVLSSA-N 446.507 5.624 30 10 IKEE C=CCn1c(CNc2cccc3ccccc23)nnc1S[C@@H](C)c1nnc(C(C)C)o1 59877778 YWLOEXIQDBKHGC-INIZCTEOSA-N 434.569 5.589 30 10 IKEE Cc1ccccc1NC(=O)c1cnn2c1NC1=C(C(=O)CCC1)[C@H]2c1ccccc1Cl 64874256 OUOHNIRUWMXYLR-JOCHJYFZSA-N 432.911 5.119 30 10 IKEE CCCCN(CCCC)C[C@H](O)Cn1cc(/C=C\C(=O)c2ccc(C)cc2)c2ccccc21 96498603 HUVFCCVAOSDMDI-JHYYFUGWSA-N 446.635 6.109 30 10 IKEE CCCCCCCCCCCCCCCCCCOC[C@@H](COP(=O)(O)O)OC 100036951 HHZKIUCNCKQUPX-QFIPXVFZSA-N 438.586 6.389 30 10 IKEE CCCCCCCOc1cccc(NCC(=O)Nc2cccc(C(=O)N3CCCC3)c2)c1 100090404 BKRKPKRLEZNFGM-UHFFFAOYSA-N 437.584 5.322 30 10 IKEE CC(C)c1ccc([C@H]2/C(=C(/O)c3ccc(Cl)cc3)C(=O)C(=O)N2Cc2ccco2)cc1 102607558 KKJNQEZOLFNTKR-VFJWVMJUSA-N 435.907 5.678 30 10 IKEE CCCOc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)cc1 136567756 UEVZFHCLBBALMI-SBXHHDGASA-N 427.500 5.097 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2ccc(F)cc2)cc1 169921910 RNUAWVGYUBBGCI-HSZRJFAPSA-N 442.446 5.099 30 10 IKEE CCN(Cc1ccccc1)c1ccc(/C=N\Nc2nc(-c3cccs3)c(C)s2)cc1 169942244 OSBURKZFFZUPPF-XYGWBWBKSA-N 432.618 6.653 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@@H]1c1cccc(OC(C)C)c1 169981200 LWLDZKPLHAFYFY-VWLOTQADSA-N 435.564 5.561 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2C2CCCCC2)cc1 170031844 DTIMHNXEQZXJIW-HSZRJFAPSA-N 435.520 5.005 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(O)c(Cl)c2)c1 170042088 UZSAVRJPXVVSSJ-JOCHJYFZSA-N 439.939 5.573 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(Cl)cc2)c1 170056703 XCMZQRSPBAKUSS-OAQYLSRUSA-N 437.948 5.797 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(F)cc2)c1 170061348 PJFDMXRERVTVAV-JOCHJYFZSA-N 446.434 5.134 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1ccc(F)cc1)c1cccc(Cl)c1 170063933 KNXRMRLFTGXVEN-FQEVSTJZSA-N 443.808 5.540 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccccc2O)c1 170141293 PARJAZIFEYKSSU-HSZRJFAPSA-N 425.440 5.230 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)c(OC)cc3C)[C@@H]2c2ccccn2)cc1 170171093 DKIFXHSVGGXHOR-DEOSSOPVSA-N 442.515 5.052 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccccn1 170173840 VLTTYGPBPFNMPV-OAQYLSRUSA-N 448.906 5.143 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cccc(OCC)c1 170218413 IVOFJWQZQGACEK-QFIPXVFZSA-N 425.500 5.301 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(F)cc1 170244318 YKINMUNBNGZLES-HXUWFJFHSA-N 443.902 5.317 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1c[nH]c2ccccc12 170256020 IVNMDCYBZBWUNT-RUZDIDTESA-N 442.559 5.815 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccc(O)c2)c1 170258058 HCJVDTLBZBEFGZ-HSZRJFAPSA-N 447.462 5.101 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1ccccc1C 170277480 DMQZOKAWBSBICT-XMMPIXPASA-N 433.592 6.369 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccco2)cc1C(C)C 170286211 DFKNJGFQAIHLPG-QHCPKHFHSA-N 431.488 5.503 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2cccc(Cl)c2)o1 170303643 PSVRHFWKRHRZEY-KRWDZBQOSA-N 428.897 5.098 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccc(C)o2)cc1Cl 170305480 MKTQFRPQLSSPCL-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1Cc1ccco1 170316346 AHEFTVMVJNXXOV-FQEVSTJZSA-N 437.517 5.215 30 10 IKEE COc1ccc(C=NN=C2SC(=N\C(C)(C)C)/C(=N\C(C)(C)C)N2c2ccccc2)cc1 252621729 NFRLCTNVQZPKGY-AAPDBKPUSA-N 449.624 6.033 30 10 IKEE COC(=O)c1ccc(N2Cc3ccccc3C2=NC(=O)c2ccc(-c3ccccc3)cc2)cc1 254495543 YHAUXDNPGZYEDO-UHFFFAOYSA-N 446.506 5.747 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=S)Nc2ccccc2)cc1 254704707 PMZREBIGXYJPPZ-UHFFFAOYSA-N 439.540 5.688 30 10 IKEE Cc1ccc(NC(=O)c2ccc(NN=Cc3c(O)ccc4ccccc34)c([N+](=O)[O-])c2)cc1 254797522 GOQMJMCVUSOQSX-UHFFFAOYSA-N 440.459 5.460 30 10 IKEE C=C(CC[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)C(C)C 257620564 XHFAXVFEJWTPSR-JMAOMEBISA-N 446.672 5.067 30 10 IKEE CC1(C)OB(CCC[C@@H](N)c2cc(Cl)c(OCc3ccccc3)cc2O)OC1(C)C 383825519 QXWCBPIBLUEROP-LJQANCHMSA-N 431.769 5.497 30 10 IKEE CC(C)c1ccc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526607607 ZGKOFKSGDHTZAA-DEOSSOPVSA-N 428.919 6.392 30 10 IKEE N#Cc1ccc(NC2=C(Sc3ccccc3)C(=O)N(c3ccccc3Cl)C2=O)cc1 526659470 SFRSFMKCLSHHCO-UHFFFAOYSA-N 431.904 5.201 30 10 IKEE CCOc1ccc(/C=N\n2cnnc2SCc2ccc(C(C)(C)C)cc2)c(OCC)c1 526805091 FEHJIBPMVGIUDC-YSMPRRRNSA-N 438.597 5.548 30 10 IKEE CCCOc1ccc(/C=N\n2c(C)nnc2SCc2ccc(C)cc2C)cc1OCC 526810553 ADRUDKBLONYQMS-MYYYXRDXSA-N 438.597 5.565 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccc(N(C)C)cc1 526818017 MUGBSQOKBGWZRM-CFRMEGHHSA-N 431.968 5.264 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1ccccc1C(F)(F)F 526818798 ANEIDNMLTCTFAT-ZMFRSBBQSA-N 432.515 6.041 30 10 IKEE COc1ccc(/C=C2\C[C@H]3[C@@H]4CCc5cc(OC(C)=O)ccc5[C@H]4CC[C@]3(C)C2=O)cc1 606629682 FJIRFWDJPBXNKB-LDAKEVBKSA-N 430.544 5.739 30 10 IKEE C=CCCCN(C)C(=O)[C@@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 609908814 XBFXIPXDUUJTNS-OAHLLOKOSA-N 427.595 5.110 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@H]1[C@@H]1CCCCN1C(=O)OC(C)(C)C 698408353 QGZOPPDBXPFTTJ-GBWYYYKWSA-N 449.636 5.874 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 699658843 KNTNUUQAGBWCJF-KBMIEXCESA-N 443.588 5.666 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@](C)(C#N)CCc1ccc(OC(F)F)cc1 700606341 SNVQIXZEFMJOGK-DEOSSOPVSA-N 430.495 5.940 30 10 IKEE CC(=O)O/N=C1/C=C2CC[C@@H]3[C@H](CC[C@]4(C)[C@H]3C[C@@H]3CCCC[C@@]34C(C)=O)[C@]2(C)CC1 1076146647 LQJAXDXIQDWPOB-MMLVSUCXSA-N 425.613 6.244 30 10 IKEE Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2C=Nc2cccc(C)c2)cc1 1084049840 TZMVXQRRUZUNEC-UHFFFAOYSA-N 443.366 5.617 30 10 IKEE C#CCn1cc(C=Nc2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c2ccccc21 1084608500 RGURHEDPMWHNAX-UHFFFAOYSA-N 443.616 6.028 30 10 IKEE CCc1ccc(C(=O)N2c3ccc(F)cc3/C(=N\c3cc(F)c(F)cc3F)C[C@@H]2C)cc1 1615946417 LMIFHKGZIRYFID-MYLJFAKISA-N 440.440 6.365 30 10 IKEE Fc1cccc(-n2cc(/C=N\NC(=S)Nc3ccccc3)c(-c3ccc(Cl)cc3)n2)c1 1857808599 GRRDJPCLEXMBHJ-WGARJPEWSA-N 449.942 5.652 30 10 IKEE N#Cc1ccc(NC(=O)c2nn(Cc3ccc(F)cc3)c(-c3ccccc3)c2Cl)cc1 1859381934 CMBVOHFOQOQXFX-UHFFFAOYSA-N 430.870 5.515 30 10 IKEE N#Cc1cnn(-c2ccc3ccccc3n2)c1NC(=O)CCSc1ccc(Cl)cc1 1859484745 AICOKBCSTHPPQC-UHFFFAOYSA-N 433.924 5.066 30 10 IKEE COc1cccc(/C=C/C(=O)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1OC 1860728021 SDIKLCSYAUEPKZ-ACCUITESSA-N 437.879 5.371 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)c1ccc2nc(CC)[nH]c2c1 1860960577 JMFWYRBOGNRAEK-JOCHJYFZSA-N 442.648 5.671 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 1861126216 OVIHNWZKVVENCA-JOPBRCQMSA-N 431.577 5.150 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(C(C)(C)C)cc1 1862420457 LSZDJKSQZRGFCL-SZNDQCEHSA-N 427.491 5.639 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@@H]2c2cccc(F)c2)cc1 1862432077 VZHLXIGTLDTENE-QHCPKHFHSA-N 449.909 5.609 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862441411 HOABFQALVUJIRB-QHCPKHFHSA-N 435.951 6.117 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccc(F)cc2)c1 1862442012 FQBPKSRYUXCZBN-QHCPKHFHSA-N 449.909 5.874 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccc(C)cc2)cc1 1862442415 RZHONFVZBSKCHE-XMMPIXPASA-N 445.946 5.778 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1cccc(Cl)c1 1862470949 ZGJNJHJHNIAJDI-XIKOKIGWSA-N 448.744 5.479 30 10 IKEE CCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(C)cc1 1862475294 IGPOZQGAPUKLJV-AREMUKBSSA-N 447.619 7.022 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2c(F)cccc2Cl)cc1 1862480614 KSQLLMRFJZUHIX-QMHKHESXSA-N 449.909 6.127 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)c1 1862493336 NDENRNLFOJQMQM-BFMBIBTESA-N 447.575 5.859 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(Cl)cc1Cl 1862552852 DFXIRZGRPGTNAY-NRFANRHFSA-N 442.342 5.637 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccccc2)c1 1862648459 BMJCWQDXUXASDJ-MHZLTWQESA-N 447.534 6.235 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(CC)cc1 1862650157 OYEYVMXWHIRZQR-SANMLTNESA-N 441.571 6.561 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1c(F)cccc1Cl 1862651708 BAPUSXUAJHTFDT-JOCHJYFZSA-N 437.898 5.867 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862717315 AIXDZYSPHIVLRF-QHCPKHFHSA-N 444.487 5.517 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(F)cc3)C2=O)cc1 1862763997 PYZGDRMCQNTARH-UHFFFAOYSA-N 439.490 5.391 30 10 IKEE Cc1cc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(F)cc3)C2=O)ccc1C(C)C 1862770864 KGARHMWRXFLCBY-UHFFFAOYSA-N 439.490 5.526 30 10 IKEE Cc1cc(C2=C(Nc3cccc(C)c3C)C(=O)N(c3cccc(C#N)c3)C2=O)ccc1F 1863094628 CRQOSJHQPGVOQV-UHFFFAOYSA-N 425.463 5.019 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)cc2)=C(c2cccc3ccccc23)C1=O 1863216995 LNUHFZLTJUXYDI-UHFFFAOYSA-N 444.550 6.531 30 10 IKEE CCCCCCCCNC1=C(c2ccc(C)c(C)c2)C(=O)N(CCCOCCCC)C1=O 1863610755 XWHYJSIRAJMBDQ-UHFFFAOYSA-N 442.644 5.540 30 10 IKEE CC(C)(C)c1nc(Nc2cccc(C#N)c2)cc(N2CCC[C@@H]2c2nc3c([nH]2)CCCC3)n1 1868333432 JNJUFCJFIXGPPG-OAQYLSRUSA-N 441.583 5.333 30 10 IKEE Cc1nc(Nc2ccc(C#N)cc2)cc(N2CC(C)(C)c3ccccc3[C@H]2c2ccccc2)n1 1868494166 AUZUMVDHHMIHGR-MUUNZHRXSA-N 445.570 6.288 30 10 IKEE CCCCCCCCn1cc(OCC(=O)Nc2c(CC)cccc2CC)c(=O)cc1C 1870084966 FFNFIXAGTPFJOV-UHFFFAOYSA-N 426.601 5.660 30 10 IKEE CCCCCCCCn1cc(OCCCCCCC)c(=O)cc1CN1C[C@@H](C)C[C@H](C)C1 1870413115 RXAFHKJHXRNWAT-DQEYMECFSA-N 446.720 7.036 30 10 IKEE C=CCn1cc(OCCOc2ccc(C(C)(C)C)cc2)c(=O)cc1CN(CCC)CCC 1870591686 FVYXQDNGYGBKMT-UHFFFAOYSA-N 440.628 5.412 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2C)c(=O)cc1CN1CCC[C@H](C)C1 1870628251 ZEOSGPFGWIYMSA-QHCPKHFHSA-N 438.656 6.328 30 10 IKEE C=CCn1cc(OCc2ccc(C(C)C)cc2)c(=O)cc1CNc1ccc2c(c1)OCO2 1870897649 LODCBWPQCYKSRR-UHFFFAOYSA-N 432.520 5.078 30 10 IKEE CCCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(CC)cc1 1871252903 UCPZCJLCNNIFMU-UHFFFAOYSA-N 443.591 6.054 30 10 IKEE O=C1/C(=C/c2c(F)cccc2Cl)Oc2c1ccc1c2CN(CCC2=CCCCC2)CO1 1871348938 DWPGMIPIMPCVTM-QRVIBDJDSA-N 439.914 6.138 30 10 IKEE CCc1ccc([C@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2cccc(F)c2)C4=O)cc1 1871354122 HYDJOKLLUANMEL-MQKZQLNTSA-N 429.491 5.917 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OC(=O)c4ccc(-n5cccc5)cc4)ccc3C2=O)c1 1871384518 WLPQJNISPAZWBJ-XYGWBWBKSA-N 437.451 5.321 30 10 IKEE O=C1/C(=C/c2ccc(-c3ccccc3)cc2)Oc2cc(OCCOc3ccccc3)ccc21 1871399015 ZRQMHPIAPSAWGA-USHMODERSA-N 434.491 6.428 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccccc2F)C3=O)cc1 1871409193 ZHAPMBZSFNSOGV-NQRZERFFSA-N 431.463 5.465 30 10 IKEE Cc1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)c1C 1871413647 MFFLCKBLBYBUHE-GHRPQRKGSA-N 447.918 5.979 30 10 IKEE Cc1cc(C)c(COc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2Cl)C3=O)cc1C 1871417315 IAOXJJLDIMNHFD-VROXFSQNSA-N 439.338 7.114 30 10 IKEE Cc1c(OCC(=O)NC2CCCCC2)ccc2c1O/C(=C\c1ccccc1Cl)C2=O 1871437769 BGSSKBZLYQLQAR-BKUYFWCQSA-N 425.912 5.092 30 10 IKEE Cc1cc(OCCN2CCCC2)cc2c1C(=O)/C(=C/c1ccc(-c3ccccc3)cc1)O2 1871449174 JRTCAYNCSLUENA-ITYLOYPMSA-N 425.528 5.753 30 10 IKEE CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1 1871449663 ZZUAGASUHDAGTN-DBXOKZBGSA-N 441.483 5.220 30 10 IKEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(=O)(=O)CCC 1872203684 FHKFOAQIPLYBBK-DEOSSOPVSA-N 442.625 5.243 30 10 IKEE C=C(C)CN([C@H](C)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1ccc(Cl)cc1 1872213555 QBLYNPJVNGFYMQ-QGZVFWFLSA-N 449.016 5.232 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(-c2ccccc2C)cc1)[C@H](C)CC)S(=O)(=O)CCC 1872217780 VOFNRYIZJLIILT-NTKDMRAZSA-N 442.625 5.243 30 10 IKEE Cc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 1872769223 MVLBZQOEEANQEQ-QGZVFWFLSA-N 445.371 6.461 30 10 IKEE N#C[C@@H](C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nc(-c2cccc3ccccc23)cs1 1872774883 FDHXDGKKXJUHIP-IBGZPJMESA-N 444.428 5.270 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)c1C 1872781109 OZXZIDVHPADJNN-MRXNPFEDSA-N 439.924 6.095 30 10 IKEE COc1cc(-c2csc([C@H](C#N)C(=O)c3ccnc(Cl)c3)n2)c(OC)cc1Cl 1872782166 FYQRVOIIROUGHF-GFCCVEGCSA-N 434.304 5.019 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)Cc2ccc(OC(C)C)cc2)n1 1872786012 YVKWTOIUGAEBBT-HSZRJFAPSA-N 446.616 6.622 30 10 IKEE C=CCNC1=C(c2c(Cl)cccc2Cl)C(=O)N(CCCCCCCCCC)C1=O 1873094106 LKSSTDPVCHNJMX-UHFFFAOYSA-N 437.411 5.990 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)N(CCC)CCCC)n2Cc1ccccc1 1873554983 FZJORCOAXKRMEQ-UHFFFAOYSA-N 445.611 5.310 30 10 IKEE CCCCCCCCCCNC(=O)c1cc2c(N3CCCCC3)ncnc2n1CCCC 1873583980 MRPMBWWNOPOMRG-UHFFFAOYSA-N 441.664 6.092 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Br)c(C)c2)cc2c(NCCCC)ncnc21 1873604115 KFALZOYXEMDMHO-UHFFFAOYSA-N 442.361 5.153 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(C)cc1)n2CCC 1873629195 QITIOODAQQHULN-UHFFFAOYSA-N 449.643 6.955 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1cccc(Cl)c1)n2Cc1ccco1 1873661731 CGNHKFCXVIISOM-UHFFFAOYSA-N 447.926 5.157 30 10 IKEE COc1cc2[nH]c3c(N/N=C/c4cccc(Oc5ccccc5)c4)ncnc3c2cc1OC 1873795479 LQZGFVIMOZUDFM-CCVNUDIWSA-N 439.475 5.367 30 10 IKEE CCCCCCCCNC(=O)[C@H]1c2ccccc2C(=O)N(C[C@H]2CCCO2)C12CCCC2 1873885994 CBFQTCCUOHMYPC-ZJSXRUAMSA-N 440.628 5.195 30 10 IKEE COc1ccc(/C=N/n2c(COCc3ccccc3)nnc2SCc2ccccc2)cc1 1874355494 MUBWYCOWWIRUEI-WGOQTCKBSA-N 444.560 5.178 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2F)n1/N=C/c1ccc(O)cc1 1874362643 OWNFHBBJJFVZRI-JVWAILMASA-N 446.551 5.391 30 10 IKEE CSc1nnc(CCc2cccs2)n1/N=C/c1ccc(OCc2ccccc2C)cc1 1874369714 NXFYGSMHKKVLQJ-PCLIKHOPSA-N 448.617 5.616 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1ccccc1F 1874379575 ZXHITOJFINYJOS-JFLMPSFJSA-N 434.515 5.630 30 10 IKEE COc1ccccc1/C=N/n1c(COc2ccccc2)nnc1SCCc1ccccc1 1874385862 MGZSKZRDIUIGGQ-NLRVBDNBSA-N 444.560 5.083 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2[C@@H](C)c2ccccc2)cc1 1874394569 PTGMUPQKJCEAAC-NLTKLDOMSA-N 446.551 5.752 30 10 IKEE CCCCc1nnc(SCC)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874477885 NJEAJVJWVRIOAY-BUVRLJJBSA-N 428.989 5.847 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc(O)c(OC)c1 1874479896 XHRVQGNPKXZDFC-YDZHTSKRSA-N 430.961 5.163 30 10 IKEE Cn1cc(/C=N/n2c(SCc3ccccc3Cl)nnc2C(C)(C)C)c2ccccc21 1874484139 HDFPZWGQOVNSCJ-DHRITJCHSA-N 438.000 5.895 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CC2)cc1 1874520457 NQLKDGABRUXYIT-MFKUBSTISA-N 441.000 6.162 30 10 IKEE COc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C2CC2)c(OC)c1 1874522639 CZURJJPULXMVSH-BHGWPJFGSA-N 446.935 5.140 30 10 IKEE COc1cc(/C=N/n2cnnc2SCc2ccccc2F)ccc1OCc1ccccc1 1874538361 AUCDIMGACMJEKS-MZJWZYIUSA-N 448.523 5.179 30 10 IKEE CCCCCOc1ccccc1/C=N/n1c(S)nnc1COc1ccc(Cl)cc1 1874565575 IBXJXCKSSGOKML-OEAKJJBVSA-N 430.961 5.250 30 10 IKEE CC(C)COC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(C(C)(C)C)cc1 1874582759 GEMUPTOJWKUJFF-XYOKQWHBSA-N 428.956 6.112 30 10 IKEE COC(=O)c1ccc(COc2cc(/C=C/C(=O)c3ccc(Cl)cc3)ccc2OC)o1 1874595598 UODPPIVAJQTETA-XCVCLJGOSA-N 426.852 5.203 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)c(C)c1C 1874598361 ISFWDBMVYIBZDH-YRNVUSSQSA-N 441.354 7.094 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 1874600649 WICBSMLWXMOVNP-DHZHZOJOSA-N 437.879 6.040 30 10 IKEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1Cl 1874605922 MKXGWRNMHHQKNF-XVNBXDOJSA-N 427.711 5.875 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OCC(=O)N[C@H](C)c1ccccc1 1874613398 RUBPNHMNVAWPNR-IYPOZPNPSA-N 449.934 5.501 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Cl)c1OCc1cccc(Cl)c1 1874618539 GZQGKRRIBUWVIO-RMKNXTFCSA-N 445.317 6.925 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OCc1c(F)cccc1Cl 1874621771 TUQAGQVUTDDUIB-VMPITWQZSA-N 440.854 5.692 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccccc1C 1874632896 AHEUHMPQIHZUOK-JLHYYAGUSA-N 429.516 5.534 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)cc(Cl)c1OCCO 1874636948 ANYLOLKVNNDZLW-SNAWJCMRSA-N 445.726 5.321 30 10 IKEE O=C(Cc1cc(Cl)ccc1Cl)Oc1cccc(/C=C/C(=O)c2ccc(Cl)cc2)c1 1874700810 OCNXTHPRBABTGV-NYYWCZLTSA-N 445.729 6.691 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1OC(=O)C1CC1 1875105192 IGBRCXVDGLCCJZ-FPYGCLRLSA-N 439.722 6.257 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)C3CCCC3)c(Br)c2)cc1 1875113905 DTFLDLLSNDUJEV-WUXMJOGZSA-N 429.310 5.449 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C(F)(F)F)c(Br)c1)c1ccc(F)cc1F 1875120854 NNZUMPFJYFJMFU-ORCRQEGFSA-N 435.142 5.091 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)c1ccccc1 1875124480 NILDXWCLQVFPKZ-VAWYXSNFSA-N 441.310 6.507 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc([N+](=O)[O-])c1OC(=O)c1cc(C)cc(C)c1 1875127257 VRXLSFGZJIGFGK-ZHACJKMWSA-N 445.471 5.726 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(F)c(F)c1F 1875159043 ZSUWMKFNSNWCHV-QDEBKDIKSA-N 444.380 5.757 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)CC2CCCCC2)cc1 1875161144 AVLIBVMJBANRIF-FOWTUZBSSA-N 434.576 6.765 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc([N+](=O)[O-])c1OC(=O)CC(C)(C)C 1875163969 MKYPDZMSPWJYOK-RMKNXTFCSA-N 447.434 5.509 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1ccc(Cl)cc1 1875184976 ZWMSZXMJKJGESR-VZUCSPMQSA-N 434.919 6.389 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)CCCOc3ccccc3)cc2)cc1C 1875187322 YRPXISAVDJASSE-DTQAZKPQSA-N 444.527 5.973 30 10 IKEE CC(C)n1ncc(Br)c1C(=O)C=Cc1ccc(NC(=O)OC(C)(C)C)cc1 1912091662 AOWVQYGSYZPSAI-UHFFFAOYSA-N 434.334 5.470 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@H]21 2008449733 USPLFSVDZPIBFG-YJLYGGOZSA-N 427.545 5.028 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C)([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 2022138084 NAOUANZTCIOOKV-DVECYGJZSA-N 435.609 5.486 30 10 IKEE C=CCCCCCCCC[C@@H](N)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2026310499 QJTOBYNGZQABPZ-RPWUZVMVSA-N 432.649 6.121 30 10 IKEE CC(C)(C)OC(=O)Nc1ccccc1[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2031834529 MLYSOJDGZBVWHG-NRFANRHFSA-N 443.588 6.558 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCC[C@@H]2CNC(=O)OC(C)(C)C)cc1 2032225621 RMRWHKVYJCRSMW-OSPHWJPCSA-N 445.560 5.024 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)[C@H]1CCSC1(C)C 2033645003 GUKWYROKLQYDIP-CVEARBPZSA-N 425.392 5.614 30 10 IKEE CC[C@H](CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2053573286 IWNCBADONFSAAW-NOBKAHCSSA-N 428.701 7.204 30 10 IKEE C=C(c1ccccc1)[C@@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2076572769 KNUIFMGWAVVGQZ-FTBPSBKWSA-N 438.612 5.567 30 10 IKEE COc1ccc([C@H](n2nc(C3(C)CC3)c(C#N)c2I)C(C)(C)C)cc1 2079855488 MKVINGQANJUXRW-KRWDZBQOSA-N 449.336 5.055 30 10 IKEE CC(C)Oc1ccc([C@H](C)n2nc(C(C)(C)C)c(C#N)c2I)cc1 2080055955 MPZCYDGSKUDLLR-ZDUSSCGKSA-N 437.325 5.053 30 10 IKEE Fc1cc(-c2c(C(F)(F)F)nn(C3CCC3)c2Br)cc(C(F)(F)F)c1 2080852644 WXSUOCHUXHVARJ-UHFFFAOYSA-N 431.149 6.214 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Br)c(Cl)cc1C 2082756353 RBJYWABHMXOCRZ-AWEZNQCLSA-N 431.758 5.209 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@]1(C#N)CN(Cc2ccccc2)C2(CCCC2)C1 2100065991 CZGHUVROOAOOJJ-HHHXNRCGSA-N 449.570 6.048 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1cc(Br)ccc1OC(F)F 2107867771 XYYPCJIEOODMJI-IBGZPJMESA-N 426.301 5.474 30 10 IKEE CN(CCN(Cc1ccccc1)[C@@H]1CC(C)(C)C[C@](C#N)(NC2CC2)C1)Cc1ccccc1 2127174933 WXIOQTPDXNVUBZ-XRKRLSELSA-N 444.667 5.214 30 10 IKEE C=CCN(CC[C@H](Cc1cc(F)ccc1Br)NCCC)C(=O)OC(C)(C)C 2155516263 IFKPZBDBJOYDBJ-GOSISDBHSA-N 443.401 5.312 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CCC[C@@H](Nc3cc(Br)cc(F)c3C#N)[C@H]1CC2 2163690445 UCVAGWFCDHUEPQ-FDQGKXFDSA-N 438.341 5.192 30 10 IKEE CCN(Cc1ccc(Nc2ccc(C#N)cc2Br)cc1)C(=O)OC(C)(C)C 2169059892 WICZTEQXCJKPSJ-UHFFFAOYSA-N 430.346 5.821 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)cc(F)cc1Br 2225599230 GPPYAOJGUPXTST-NVXWUHKLSA-N 433.337 5.237 30 10 IKEE CN(C(=O)OC(C)(C)C)C1(C[C@H](N)C#Cc2ccccc2Br)CCCCC1 2235748240 XSTLHKXAXIPQOR-GOSISDBHSA-N 435.406 5.088 30 10 IKEE CC(C)(C)CN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2255542372 QMZTWJJGKSQMQA-UHFFFAOYSA-N 441.808 5.328 30 10 IKEE CC(C)(C)N(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(F)cc1Cl 2258083660 CQHNWSDZJWMZKO-UHFFFAOYSA-N 445.771 5.219 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CSc1ccc(C#N)c(Br)c1F 2260367578 JHMJRXLJFAXTQE-YPMHNXCESA-N 429.355 5.197 30 10 IKEE C[C@@H](C1CC1)N(Cc1ccccc1)c1ccnc2ccc(B3OC(C)(C)C(C)(C)O3)cc12 2269897565 YQFYZPCGVCFRAA-IBGZPJMESA-N 428.385 5.339 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(F)cc(Br)c1F 2272730517 BYBZWEGMZKELPW-DOTOQJQBSA-N 433.337 5.237 30 10 IKEE C=CC[C@@]1(COc2cc(Br)c(C)cc2N)CCCN(C(=O)OC(C)(C)C)C1 2287853885 CQHXZSFNKOERPQ-OAQYLSRUSA-N 439.394 5.312 30 10 IKEE O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@@H](c2ccc(F)cc2)C1=C(O)c1ccccc1 2296099280 ZAYNSVPITQDRCW-FQEVSTJZSA-N 448.450 5.201 30 10 IKEE CN[C@H](C#Cc1cccc(Br)c1)c1ccc(NC(=O)OC(C)(C)C)c(F)c1 2296217683 XHTRZXOVFDHHKD-GOSISDBHSA-N 433.321 5.247 30 10 IKEE C[C@@H](CC(=O)C#Cc1ccc(Br)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2296228295 XPBCAZZVYIUTMA-FUHWJXTLSA-N 434.374 5.043 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)CSc2n[nH]c(NN=C(C)C=Cc3ccccc3)n2)cc1 2313602117 MGHIRDILGNCZOX-QGZVFWFLSA-N 448.596 5.550 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1Cl)C2=O)c1ccc(F)cc1 2314438189 KUTZHHXDXKFTNY-UHFFFAOYSA-N 429.230 5.968 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)c2cc(Cl)cc(Br)c2F)C1 2315440005 MWYNAAXQLVDVNU-UHFFFAOYSA-N 432.717 5.285 30 10 IKEE CCOc1ccc2ccccc2c1C=Nn1c(CC)nnc1SCc1cccc(F)c1 2318571222 FSRWGDIKWWYGEG-UHFFFAOYSA-N 434.540 5.706 30 10 IKEE CCCCOc1ccc(C=Nn2c(C)nnc2SCc2ccccc2C)cc1OCC 2321088315 VKMRPJTWRFYWDC-UHFFFAOYSA-N 438.597 5.647 30 10 IKEE CSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccccc1Cl 2321395772 TYNBHOUGSRMEDT-UHFFFAOYSA-N 449.407 5.817 30 10 IKEE CC(C)(C)c1nnc(S)n1N=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12 2321908608 QDSLYCRTQMANEK-UHFFFAOYSA-N 434.540 5.618 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccccc1OCc1cccc(F)c1 2322828301 QMYMCFUFTKVSCM-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cc(Cl)ccc2OCc2c(F)cccc2Cl)c(C)c1 2322948859 HADNAFNFSSYLTA-UHFFFAOYSA-N 443.345 7.533 30 10 IKEE CC(=O)Nc1cccc(C(=O)Oc2ccc3c(c2C)OC(=CC=Cc2ccccc2)C3=O)c1 2322969163 HCEKITRJMMMZOF-UHFFFAOYSA-N 439.467 5.345 30 10 IKEE O=C(C=Cc1cccc(OCc2c(Cl)cccc2Cl)c1)c1ccc([N+](=O)[O-])cc1 2323098275 NFCPZNIBPFPSEA-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)CCCOc4ccccc4)ccc3C2=O)cc1 2323177626 TULQIZCLQBTGKS-UHFFFAOYSA-N 430.456 5.076 30 10 IKEE CN(C)c1ccc(C=C2Oc3cc(OC(=O)c4cccc5ccccc45)ccc3C2=O)cc1 2323472698 UZJOUTYQUUFQAQ-UHFFFAOYSA-N 435.479 5.741 30 10 IKEE CCOc1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccs2)C3=O)cc1 2323511801 RROXDWNOKFAJPY-UHFFFAOYSA-N 432.497 5.690 30 10 IKEE COC(=O)c1ccc(C=C2Oc3cc(OC(=O)C=Cc4cccs4)cc(C)c3C2=O)cc1 2323530682 YQHULFIUJPLTFL-UHFFFAOYSA-N 446.480 5.078 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)c4cc(Cl)ccc4Cl)ccc3C2=O)cc1 2323581367 WYXRCQHHESGYLD-UHFFFAOYSA-N 439.294 6.391 30 10 IKEE Cc1cc(OC(=O)c2ccc(OCC(C)C)cc2)cc2c1C(=O)C(=Cc1cccc(F)c1)O2 2323635232 UXGAYIIBWLSXEE-UHFFFAOYSA-N 446.474 6.004 30 10 IKEE O=C(C=Cc1ccc(OCCc2ccccc2)c(Br)c1)c1ccc(F)cc1F 2323721115 NUJLTUYWEXTRBC-UHFFFAOYSA-N 443.287 6.245 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)c1 2323799675 HKARZJQMUYEJQP-UHFFFAOYSA-N 434.875 5.883 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)cc(C)c3C2=O)cc1 2323813361 CFEGHLURBYBENW-UHFFFAOYSA-N 428.484 5.926 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2323865055 BNTMEXBYKNHOEP-UHFFFAOYSA-N 432.859 5.740 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1F 2324111209 VYEIPMXXFQENIE-UHFFFAOYSA-N 441.842 5.871 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)ccc1OCc1ccccc1 2324538640 ZMIFPWVUOGFIFD-UHFFFAOYSA-N 436.935 6.531 30 10 IKEE Cc1ccc(OCCCCOc2ccc3c(c2C)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2324588979 IUQPSDOVOJFPHG-UHFFFAOYSA-N 448.946 6.811 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)c(OC)cc2C)ccc1OCc1cccc(C)c1 2324644539 PYMKKIWRZKYGNO-UHFFFAOYSA-N 430.544 6.494 30 10 IKEE CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(C)cc2)C3=O)c1 2324825682 HYAKAACXPIMTGT-SFHVURJKSA-N 441.483 5.220 30 10 IKEE CCCOC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2324879763 LBBXSSKDONHMLY-UHFFFAOYSA-N 428.484 5.610 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C)cc4C)ccc3C2=O)cc1 2324882626 CVFZSXVHXJWLJQ-UHFFFAOYSA-N 443.499 5.336 30 10 IKEE COc1cccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4c(C)cccc4C)ccc3C2=O)c1 2325141751 OZGAOGJYIQLDIL-GOSISDBHSA-N 443.499 5.334 30 10 IKEE COc1ccc(C=CC(=O)c2cccc3ccccc23)cc1OC(=O)c1ccc(C)c(C)c1 2325749300 JVCNMCQHTDVJEX-UHFFFAOYSA-N 436.507 6.581 30 10 IKEE CCc1ccc(CCC(=O)Oc2cc(C=CC(=O)c3ccc(F)cc3)ccc2OC)cc1 2325751020 CACAWBIHCNOHPI-UHFFFAOYSA-N 432.491 5.831 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1OC(=O)Cc1ccc(F)c(C)c1 2325752957 DZGPNWKYDAJDNZ-UHFFFAOYSA-N 440.417 5.465 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cccc4ccccc34)c2)c(OC)c1 2325761584 FMWBUTJYXRRAJZ-UHFFFAOYSA-N 438.479 5.972 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cccc(OC(=O)Cc2cccs2)c1 2325763384 RHGPPFBVMLSWLJ-UHFFFAOYSA-N 426.921 5.763 30 10 IKEE CCOc1cccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c(Cl)c3)c2)c1 2325769618 LAAQTWUSGAYESO-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE Cc1nnc(SCc2ccc(Br)cc2)n1N=Cc1c(F)cccc1Cl 2326617747 VPNSGRYDWNSPRK-UHFFFAOYSA-N 439.741 5.316 30 10 IKEE C=C(C)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1cccc2ccccc12 2327861017 JXQMVRAHWNGJSF-HXUWFJFHSA-N 447.608 5.096 30 10 IKEE Cc1cccc(C=Nn2c(CCc3ccc(C)c(C)c3)nnc2SCc2ccccc2)c1 2328945517 CGQQNRDHOKXEPE-UHFFFAOYSA-N 440.616 6.163 30 10 IKEE CCCSc1nnc(COCc2ccccc2)n1N=Cc1ccc(Cl)cc1Cl 2329353485 SBWLWDYQGWDZDU-UHFFFAOYSA-N 435.380 5.686 30 10 IKEE Cc1ccc(C=Nn2c(CCc3ccccc3C)nnc2SCc2cccc(F)c2)cc1 2329477927 FWNLYVZEUUTXEL-UHFFFAOYSA-N 444.579 5.994 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](Cc1ccccc1)NC(=O)C=C(c1ccc(C)c(C)c1)C1CC1 2329553972 MZPWEZDOKSFPIC-MHZLTWQESA-N 442.603 5.025 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCc3ccccc3)nnc2-c2ccccc2Cl)c1 2329573019 UMBYTJMOMGWCIG-UHFFFAOYSA-N 434.952 5.787 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccccc3)n2N=Cc2ccc(F)cc2)cc1 2329872553 NITAHWYSHINPLA-UHFFFAOYSA-N 432.524 5.479 30 10 IKEE CCCSc1nnc(Cc2ccc(C)cc2)n1N=Cc1ccc(OC(C)C)c(OC)c1 2330015450 LBUGWWRYOVEVAB-UHFFFAOYSA-N 438.597 5.357 30 10 IKEE COc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc4ccccc4c3)cc2)cc1 2330653435 DWSNERIYCHTPQY-UHFFFAOYSA-N 438.479 5.729 30 10 IKEE Cc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2-c2ccccc2)cc1 2330710822 PXGKZVFJGLZDPA-UHFFFAOYSA-N 436.943 6.221 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)ccc1OC(=O)CSc1ccccc1 2330765590 ZYYFVZMWBXGFAW-UHFFFAOYSA-N 446.568 6.242 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3Cl)cc2)c1 2330802208 LRRNCOZAKCCWRR-UHFFFAOYSA-N 439.338 6.654 30 10 IKEE Oc1ccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2[C@H]2CCCO2)cc1 2331004506 ICGQRNQGZGXORK-GOSISDBHSA-N 449.363 5.317 30 10 IKEE Cc1cccc(C=Nn2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2C2CCCC2)c1 2331042722 ZXGTWIDKFXLOBX-UHFFFAOYSA-N 447.608 5.474 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)c1ccc(C)c(C)c1 2331077884 ISPFJWRPAHFQNP-UHFFFAOYSA-N 430.500 5.826 30 10 IKEE COc1cc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CCCC2)ccc1O 2331094052 NELUUVHOVHXBBU-UHFFFAOYSA-N 442.972 5.478 30 10 IKEE CCOc1cccc(C(=O)Oc2c(OC)cc(C=CC(=O)c3ccc(C)cc3)cc2OC)c1 2331260477 MSCSCPDYXGKSEK-UHFFFAOYSA-N 446.499 5.526 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1OC(=O)c1ccc(F)cc1 2331279051 BHSIDAJXUUEVOW-UHFFFAOYSA-N 449.434 5.556 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)[C@H](C)Oc3ccc(Cl)cc3)cc2)ccc1F 2331332875 XLYYVJZHPWDESW-KRWDZBQOSA-N 438.882 6.057 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC(=O)CCc1ccccc1 2331377053 CREQUAZYVNDHNX-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OC(=O)C(C)(C)C 2331443516 XMFAUMOAKVGGNH-UHFFFAOYSA-N 430.884 5.315 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cccc4ccccc34)cc2)cc1[N+](=O)[O-] 2331470089 GCLQGRWUTBCWGW-UHFFFAOYSA-N 437.451 6.172 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)C(F)(F)F 2331506093 TYIRIJDHVOHIFA-UHFFFAOYSA-N 432.438 5.911 30 10 IKEE Fc1cccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C2CCC2)c1 2331541945 XAAWDFIBULKDCZ-UHFFFAOYSA-N 435.355 6.166 30 10 IKEE CCCCOc1ccc(C=Nn2c(COC)nnc2SCc2cccc(Cl)c2)cc1 2331611834 LYSYDHKCNMTXCK-UHFFFAOYSA-N 444.988 5.431 30 10 IKEE COCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccccc1OC(C)C 2331624883 LHYBHDGDZHTSNI-UHFFFAOYSA-N 448.951 5.179 30 10 IKEE CCc1ccc(C=Nn2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2C(C)C)cc1 2331673526 PJLYGGTVGYRZOI-UHFFFAOYSA-N 435.597 5.194 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc(OC)c1OC(=O)CCCC 2331801459 ZIXAGAOVPCIWGK-UHFFFAOYSA-N 448.603 7.021 30 10 IKEE Cc1cc(Br)ccc1Sc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2365113627 LWPXLTJXLUZLLN-UHFFFAOYSA-N 432.192 5.948 30 10 IKEE COc1ccccc1/C=C/C=C1/Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2C1=O 2402158 XOJDZIHFUVXSQM-QIILOTDPSA-N 432.859 5.740 30 10 IKEE Cc1ccc(S(=O)(=O)O/C(=C/C[C@@H](C)CC(C)(C)C)n2nnc3ccccc32)cc1 5752933 XELKAHXATZDJPO-GNFOSXPUSA-N 427.570 5.406 30 10 IKEE COc1cc(/C=C/C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)ccc1OCC#N 14623169 DLKHUGXJDUJGES-XYOKQWHBSA-N 434.879 5.695 30 10 IKEE C=CCN(CC=C)C(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccccc1C 20792929 JVCPSHFMXMKQNS-UHFFFAOYSA-N 443.576 5.017 30 10 IKEE Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 20882983 XGJRNUDSLSFWRZ-AFMDSPMNSA-N 425.488 5.883 30 10 IKEE Clc1ccccc1COc1ccccc1/C=N/Nc1n[nH]c(SC2CCCC2)n1 21083306 NMLUWTUHBCZXCL-YDZHTSKRSA-N 427.961 5.518 30 10 IKEE COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C(C)C)cc2)c1 21227141 KWEGIERBAXBWCR-MNNSJKJDSA-N 438.571 6.798 30 10 IKEE CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(C3(C#N)CCCC3)cc2)CC1 30827061 XLNZRHDCDBZRPS-UHFFFAOYSA-N 432.524 5.419 30 10 IKEE Cc1ccc(N/C(=N\C(=O)c2ccc(C)c(F)c2)NCCc2c[nH]c3ccccc23)c(C)c1 32943216 WMXAKESUZMHQBW-UHFFFAOYSA-N 442.538 5.673 30 10 IKEE COc1ccccc1/C=C/C=C1\Oc2cc(OCC(=O)c3ccc(Cl)cc3)ccc2C1=O 33654083 IVZAYYVTAVBUNA-JEVXNXMJSA-N 446.886 5.783 30 10 IKEE Cc1ccc(C(C)C)cc1CN1C(=O)[C@@](O)(CC(=O)/C=C\c2ccco2)c2ccccc21 33919534 BQKIQGPTTKVGSV-MEOKJUQFSA-N 429.516 5.118 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1Cl 34954063 OHUDRXPUMBOHKR-WUXMJOGZSA-N 427.283 6.117 30 10 IKEE COc1ccccc1C(=O)Oc1cccc(/C=C/C(=O)c2ccc(Br)cc2)c1 34954741 BNJOIKZNTVOTPL-NTEUORMPSA-N 437.289 5.573 30 10 IKEE CCCOc1c(Cl)cc(C(=O)c2c(C)c(C#N)c(=O)n([C@@H](C)CC)c2O)cc1Cl 38617408 HALHTLWWLDSESX-NSHDSACASA-N 437.323 5.032 30 10 IKEE Cc1c(C(=O)C(c2ccccc2)c2ccccc2)c(O)n([C@@H](C)c2ccccc2)c(=O)c1C#N 38623411 FLYLFPHEPHNKPW-FQEVSTJZSA-N 448.522 5.358 30 10 IKEE O=C1/C(=C/c2ccccc2[N+](=O)[O-])S/C(=N/c2ccncc2Cl)N1C1CCCCC1 39864631 SCYBIPRBKFLNQC-FAXOLUSMSA-N 442.928 5.580 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCc3ccc(C(=O)OC)cc3)cc(C)c2C1=O 41502123 CHEZOUXSCFOMNZ-OYKKKHCWSA-N 444.483 5.376 30 10 IKEE COC(=O)c1c(/N=C/c2cc([N+](=O)[O-])ccc2Cl)sc(Cc2ccccc2)c1C 59460333 RPUUKWRJMIXWGY-FSJBWODESA-N 428.897 5.746 30 10 IKEE CCCCCCCOc1ccc(NC(=S)NC(=O)/C=C/c2ccccc2Cl)cc1 100155595 CHIRILRJMBURFR-LFIBNONCSA-N 431.001 6.216 30 10 IKEE CCCCCCCCCCCCCCCC(=O)O[C@H](c1ccccc1)[C@H](N)C(=O)OCC 106796050 OUVBUIRXQDERDF-IZZNHLLZSA-N 447.660 6.643 30 10 IKEE COc1cc(/C=N/Nc2ccc(Cl)cc2)ccc1OCc1ccc(Br)cc1 169878727 HIKKNJKVIRRGKZ-ZMOGYAJESA-N 445.744 6.136 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2ccccc2C)c1 169937168 HPEIIMKKMIVULR-AREMUKBSSA-N 449.506 5.940 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2OC)cc1 169940565 OAXXOAXFTNSBDN-HSZRJFAPSA-N 431.463 5.180 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccc(O)cc2)c1C 169961065 AHQALZJREWDORO-SANMLTNESA-N 449.506 5.945 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@@H]1c1ccncc1)c1cccc(Cl)c1 170021040 MMQNTEFOTAMSAZ-HSZRJFAPSA-N 440.886 5.671 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 170049341 OOIQVFOMCVREGQ-HSZRJFAPSA-N 445.946 6.420 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccc(F)cc2)c1 170060627 QSHOILWLGQYKRH-NRFANRHFSA-N 437.854 5.271 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2ccc(F)cc2)c1 170061551 FWLXQTILOGQZBC-FQEVSTJZSA-N 436.508 5.299 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1cccc(O)c1 170081145 ZMTQWJLUEFCTSD-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccccc2C)cc1 170087188 ZCXCNHCINXJGCJ-DEOSSOPVSA-N 426.516 5.152 30 10 IKEE C=CCN1C(=O)C(Nc2cccc(C(F)(F)F)c2)=C(c2ccc(OCC(C)C)cc2)C1=O 170117804 KMMXGTXYLBHXMO-UHFFFAOYSA-N 444.453 5.118 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2cccs2)cc1 170156221 SSARXPALHKEOFT-QFIPXVFZSA-N 433.529 5.547 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccs2)c1 170156346 WVPAJOSGXKUQCK-QMHKHESXSA-N 445.540 5.471 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(Cl)cc1 170236401 LYKGTTPDVAYCOQ-KRWDZBQOSA-N 434.717 5.091 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@H]1c1ccccc1C 170277229 IYAHYBBMQJSRHK-HXUWFJFHSA-N 432.545 5.415 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccco2)cc1C 170289568 VKOPYXXBISJPJY-QHCPKHFHSA-N 431.488 5.305 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2)[C@@H]1c1c(C)[nH]c2ccccc12 170311932 QJNQQRNXSUGQSK-QHCPKHFHSA-N 432.520 5.253 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2cc(C)ccc2C)cc1 170453344 ROZQZDOCFRAWEV-RUZDIDTESA-N 434.580 5.665 30 10 IKEE CN(CCCc1cc(-c2ccccc2)no1)C(=O)/C=C\c1cn(CCC#N)c2ccccc12 206811884 GILAITGMGZAJRQ-PFONDFGASA-N 438.531 5.314 30 10 IKEE C=C(CC[C@@H]1OC1(C)C)[C@H]1CC[C@@]2(C)[C@@H]1CC[C@H]1[C@H]2CC[C@@H]2C(C)(C)C(=O)CC[C@]12C 263584639 XWOMRCJXZABUBD-NEDWKSGSSA-N 426.685 7.364 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Br)ccc1C)NCCC 407531423 QTOBTMZFSOUDPB-RTBURBONSA-N 425.411 5.138 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2c[nH]c3ccccc23)c1 526490258 UXPMQHGBIYQETO-RUZDIDTESA-N 435.483 5.495 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(F)cc2)cc1Cl 526520512 GVSVIYWXHSSARH-QHCPKHFHSA-N 448.881 5.807 30 10 IKEE CCOc1ccc([C@@H]2C(c3cccc4ccccc34)=C(O)C(=O)N2c2ccccc2C#N)cc1 526610598 NVSWPGBVCLRVSF-HHHXNRCGSA-N 446.506 6.167 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2C)cc1 526711018 WLCCBZNCOCZBKC-HSZRJFAPSA-N 447.918 5.830 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2C)c1 526773520 SAHRQHOCFAHLRK-QHCPKHFHSA-N 447.918 5.830 30 10 IKEE CCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1ccccc1OCC 526806168 QQWPIGYQCYOAFK-ONUIUJJFSA-N 436.625 6.101 30 10 IKEE CCOc1c(Cl)cc(/C=N\n2c(C)nnc2SCc2ccc(C)cc2C)cc1OC 526811051 ZZNFEGBDAAQQJD-MSXFZWOLSA-N 444.988 5.439 30 10 IKEE CCc1nnc(SCc2ccccc2Cl)n1/N=C\c1c(C)n(CC)c2ccccc12 526817235 YAUYMSQOWRVZGK-QFEZKATASA-N 438.000 5.951 30 10 IKEE CCCCCCCCCC[C@H](COC(=O)CCC)Sc1ccc(O[C@H](C)CC)cc1 585664437 IXSVKMXYLUJZCA-RCZVLFRGSA-N 436.702 8.199 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 698889020 DPQXBAOYWOFMOA-VWLOTQADSA-N 443.588 5.666 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 698890964 JWBWOVCBEOOWGT-NTKDMRAZSA-N 429.561 5.418 30 10 IKEE COc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(C)cc2)cc1Br 698898345 AXJABKFGPNRNDN-GOSISDBHSA-N 431.330 5.773 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2ccc(Br)cc2C)cc1 698964285 HWWDXZNTKQWFKC-IBGZPJMESA-N 431.330 5.773 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H]1C(C)(C)[C@@]2(C#N)N(C(=O)OC(C)(C)C)C1CCC1 712275131 KDBRGRCHHPCOSL-YTZAWJCFSA-N 433.593 5.094 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)C2(C#N)CCC(NC(=O)OC(C)(C)C)CC2)c1 724079075 ONFABSJUUAGIDG-UHFFFAOYSA-N 445.560 5.166 30 10 IKEE CCN(C(=O)c1cc(C#N)c(SC)nc1O)[C@@H](C)c1ccc(-c2cccc(OC)c2)cc1 1348646191 WXEXIMCJSKVYBQ-INIZCTEOSA-N 447.560 5.280 30 10 IKEE Cc1ccccc1C=NN=C1S/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccco1 1772756736 BMJBJCSURYQOJP-JWIJGFOBSA-N 446.488 5.003 30 10 IKEE CCc1ccc(NC(=S)N/N=C\c2cn(-c3ccccc3F)nc2-c2ccccc2)cc1 1857810591 PYTYUVQJUMQVCB-YUMHPJSZSA-N 443.551 5.561 30 10 IKEE Fc1ccc(-c2nn(-c3ccccc3)cc2/C=N\NC(=S)Nc2ccc(Cl)cc2)cc1 1857810736 CLDMBWLHYWDCEQ-WGARJPEWSA-N 449.942 5.652 30 10 IKEE COc1cccc(OCCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c1 1859650036 CSAAAUNLASYWDC-UHFFFAOYSA-N 438.483 5.901 30 10 IKEE C[C@@H]1CCCC[C@@H]1N(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(F)c1 1859946791 FZERCVDEACJGAC-YJYMSZOUSA-N 447.394 7.089 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(F)cc2F)cc1 1862393950 AQLUPFNOHMQNJM-QHCPKHFHSA-N 439.502 5.828 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C34CC5CC(CC(C5)C3)C4)[C@H]2c2cccc(O)c2)cc1 1862475702 SFJKZSKEWKQNBM-GETQMSEISA-N 443.543 5.248 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccc(Cl)cc3)[C@H]2c2ccccc2)c1 1862487196 VMKYWRMFBFENSQ-DEOSSOPVSA-N 445.946 5.778 30 10 IKEE COc1cc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)ccc1O 1862491948 FJYNAMFLEZQVPM-WPSZSDGUSA-N 449.547 5.175 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2cccc(OC)c2)cc1 1862530576 SPECQEZUFYLLTL-DEOSSOPVSA-N 445.490 5.175 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(Cl)c1 1862583621 GGOAJHOLPPETHK-ZMZPIMSZSA-N 438.738 6.024 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2C2CCCCCC2)cc1 1862605280 QDPTTYUSVKBBJA-DEOSSOPVSA-N 447.531 5.067 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2Cl)cc1F 1862640174 FFGZCFKMOVBFEF-NRFANRHFSA-N 443.902 5.399 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(F)cc1 1862649680 DEYYSMHGYLEGMD-DEOSSOPVSA-N 431.507 6.138 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 1862660959 SWXGSKDDPDUVBG-XMMPIXPASA-N 445.946 6.242 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(Cl)cc2)cc1 1862664026 VNDDNNDQMKTHMM-HSZRJFAPSA-N 446.934 5.637 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccc1 1862713858 YJGNHLVNUMTNAM-NIYFSFCBSA-N 433.507 6.179 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(-c3ccccc3)cc2)=C(O)C(=O)N1CC(C)C 1862722056 MTNFJZOOWRGGGC-RUZDIDTESA-N 425.528 5.896 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCOC)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863633403 TVRKNRIFDJIAEP-UHFFFAOYSA-N 441.399 5.060 30 10 IKEE CC[C@](C)(NC(=O)C[C@@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866743692 FBFNITCKYCJMSS-SQHAQQRYSA-N 433.596 5.735 30 10 IKEE CCC[C@@H](NC(=O)[C@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866989871 FWSASRBXWRTXSK-RTWAWAEBSA-N 446.378 5.528 30 10 IKEE Cc1ccc([C@@H](C#N)NC(=O)[C@@H](NC(=O)c2cccc3ccccc23)c2ccccc2)cc1 1867664191 IHTLXGUGOMTLTC-FTJBHMTQSA-N 433.511 5.000 30 10 IKEE Cc1ccc(-c2nc(Nc3ccc(C#N)cc3)cc(N3C[C@@H](C)Cc4ccccc43)n2)cc1 1868329321 AOBDJUSYGRWCDK-FQEVSTJZSA-N 431.543 6.398 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N2CCCC2)nn1-c1ccc(Cl)c(Cl)c1 1869969292 CQJWSIQCTBZDKN-UHFFFAOYSA-N 438.403 5.863 30 10 IKEE CCCCCCCCn1cc(OCc2cccc(Cl)c2)c(=O)cc1CN1CCCC1 1870408534 GBQOMYSAQDOQFS-UHFFFAOYSA-N 431.020 6.037 30 10 IKEE CCCCCCCOc1cn(CCN(CC)CC)c(CN(CCC)CCCC)cc1=O 1870411641 IEDYHPUUEFFQQV-UHFFFAOYSA-N 435.697 5.551 30 10 IKEE CCCCCCCOc1cn(CCCCN(CC)CC)c(CN2CCC[C@H](C)C2)cc1=O 1870411930 RRBCMTZUHYBSMA-DEOSSOPVSA-N 447.708 5.551 30 10 IKEE C=CCn1cc(OCc2c(Cl)ccc(Cl)c2Cl)c(=O)cc1CN1CCCCC1 1870431010 MTWFKCWPRCXSLP-UHFFFAOYSA-N 441.786 5.559 30 10 IKEE CCCCCCCOc1cn(CCCOC)c(CNc2cc(Cl)ccc2C)cc1=O 1870830470 QBMULAQKZWQSBG-UHFFFAOYSA-N 435.008 5.808 30 10 IKEE CCCCCCCOc1cn(Cc2cccnc2)c(CNc2ccc(N(C)C)cc2)cc1=O 1870833920 ZSXZPJCTPYXHJT-UHFFFAOYSA-N 448.611 5.319 30 10 IKEE C=CCn1cc(OCCCOc2cccc(C)c2)c(=O)cc1CNc1ccc(C)c(C)c1 1871219886 RDWSYOKUCXYPEC-UHFFFAOYSA-N 432.564 5.420 30 10 IKEE COC(=O)c1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN([C@H]2CCCC[C@H]2C)C4)cc1 1871351353 WMFHYOJNZHXMNG-WGJADDRXSA-N 447.531 5.128 30 10 IKEE O=C1/C(=C/c2ccc(F)cc2)Oc2c1ccc1c2CN(CCCCc2ccccc2)CO1 1871354272 MBOZUPVBUYCKCA-XYGWBWBKSA-N 429.491 5.617 30 10 IKEE Cc1ccc(C)c(CN2COc3c(cc4c(c3C)O/C(=C\c3ccccc3Cl)C4=O)C2)c1 1871355599 PDHQMISGQLYRNX-MSXFZWOLSA-N 445.946 6.234 30 10 IKEE Cc1cc(OC(=O)c2ccc(F)c(F)c2F)cc2c1C(=O)/C(=C/c1ccc(F)cc1)O2 1871370689 ZPUKOBBBOQGDOX-NVMNQCDNSA-N 428.337 5.387 30 10 IKEE COc1ccc(OC)c(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccs2)C3=O)c1 1871380210 CMRMDIWMCRNKMF-QIHFTWRUSA-N 448.496 5.309 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2sccc2C)C3=O)cc1 1871389294 OKTYUYMAQJTXRC-MOSHPQCFSA-N 448.496 5.516 30 10 IKEE Cc1cc(O[C@H](C)C(=O)Nc2ccccc2)cc2c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O2 1871407707 YSNRRHDDDHFMEM-MGKUZBKYSA-N 441.527 6.141 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)c(C)c1 1871418994 YKVLEIBTNDFGNK-FMCGGJTJSA-N 433.891 5.591 30 10 IKEE O=C1/C(=C/c2cccs2)Oc2cc(OCc3c(Cl)ccc(Cl)c3Cl)ccc21 1871428061 GNHIVNCKNCSDPU-NVMNQCDNSA-N 437.731 6.904 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(c4ccccc4)c4ccccc4)cc(C)c3C2=O)cc1 1871432002 YCBPGJFZHWQQFF-IMRQLAEWSA-N 448.518 6.788 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4cccc(OC)c4)c3C)C2=O)cc1 1871441711 JSDOBAQAFKHNOV-OYKKKHCWSA-N 443.499 5.200 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(OC)cc2C)[nH]c(N(CC)CCCC)n1 1871691870 IJUUNJNYFVFHKN-UHFFFAOYSA-N 442.652 5.753 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1cc(C)ccc1C 1872513570 VACWNJDNGAEHAZ-HSZRJFAPSA-N 442.625 5.294 30 10 IKEE N#C[C@H](C(=O)c1cccc(Br)c1)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872760246 KPVQZSSYHVRPME-LJQANCHMSA-N 437.362 5.941 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccc(Cl)cc3)n2)cc1 1872768472 UBHCELLFBWGDEA-KUHUBIRLSA-N 426.925 5.506 30 10 IKEE CCCCC1CCC(C(=O)[C@H](C#N)c2nc(-c3cc(OC)ccc3OC)cs2)CC1 1872770988 JHDJWYBYNHZWOR-UHYCVJNDSA-N 426.582 6.000 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@H](C#N)C(=O)Cc2ccccc2[N+](=O)[O-])n1 1872784453 UFXSRZHZYOWJTI-OAHLLOKOSA-N 441.896 5.108 30 10 IKEE CCOc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2cc(Cl)ccc2OC)cs1 1872788335 HHICXTLYWAJZSU-MRXNPFEDSA-N 442.924 5.126 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(C(C)(C)C)cc3)n2)c2ccccc12 1872788824 REANQUQEGYMTNP-JOCHJYFZSA-N 440.568 6.759 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)c1ccc(CSc2nc(C)c(C)c(C)c2C#N)cc1 1872895222 IQJNOZOTAVWFAZ-UHFFFAOYSA-N 435.980 6.385 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cccc(C(C)=O)c2)=C(c2ccccc2)C1=O 1873413119 MRJQGCULRCWQFP-UHFFFAOYSA-N 446.591 6.222 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C)c2)cc2c(NCc3ccccc3Cl)ncnc21 1873605787 SCAQAMVYZBMYEL-UHFFFAOYSA-N 431.927 5.444 30 10 IKEE N#Cc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(Cc3ccco3)C23CCCCC3)cc1 1873866581 BGVZKTUNIGYLRU-XMMPIXPASA-N 439.515 5.232 30 10 IKEE CCCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1cccc(C)c1 1874213736 CQPOGJZHWDFPGH-LFVJCYFKSA-N 428.989 5.636 30 10 IKEE Cc1cccc(OCc2nnc(SCCc3ccccc3)n2/N=C/c2ccco2)c1C 1874325071 XBMAJQKZRLILAP-PCLIKHOPSA-N 432.549 5.284 30 10 IKEE C=C(C)CSc1nnc(CCOc2ccccc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874346394 MXNRAEULKRVTQX-ZMOGYAJESA-N 447.391 5.757 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccccc3)n2/N=C/c2cc(Cl)ccc2O)c1 1874426999 LPNSDNPYDJJYHU-AFUMVMLFSA-N 434.952 5.787 30 10 IKEE Cc1cccc(CSc2nnc(C3CCCC3)n2/N=C/c2ccc3c(c2)OCCO3)c1 1874454159 CQAHMAXVLVZBHX-MFKUBSTISA-N 434.565 5.190 30 10 IKEE CCSc1nnc(C(F)(F)F)n1/N=C/c1ccc(N(CC)Cc2ccccc2)cc1 1874460146 NTPMZSBWBXLUJF-AFUMVMLFSA-N 433.503 5.318 30 10 IKEE CCOc1cc(/C=N/n2c(CC(C)C)nnc2SC)ccc1OCc1ccccc1C 1874486236 IGDPLKNMYJJPJM-MFKUBSTISA-N 438.597 5.367 30 10 IKEE O=C(O)c1ccccc1/C=N/n1c(SCc2cccc3ccccc23)nnc1C1CC1 1874521036 XVWGVMMJXHSASA-AFUMVMLFSA-N 428.517 5.181 30 10 IKEE Cc1ccc(OCc2nnc(S)n2/N=C/c2c(O)ccc3ccccc23)c(C(C)(C)C)c1 1874569110 HSLWUBZJPWDWTB-VULFUBBASA-N 446.576 5.493 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Br)ccc1OCCc1ccccc1 1874575357 ISGZEOWTQRZDCG-ACCUITESSA-N 437.333 5.975 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(C)cc2)c1OCc1ccc([N+](=O)[O-])cc1 1874579343 JJCZPEIIJJURHS-FMIVXFBMSA-N 437.879 6.040 30 10 IKEE O=C(/C=C/c1cc(Br)ccc1OCc1ccccc1)c1cccc2ccccc12 1874583628 XPNZYNUMHCFAET-FYWRMAATSA-N 443.340 7.077 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2cccc(C)c2C)c(C)c1C 1874586466 OTMLGYGNALFXOS-FYWRMAATSA-N 443.543 5.842 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccccc2OCC(=O)Nc2cc(C)cc(C)c2)cc1C 1874591121 TUVVASXBQKNKRA-ZHACJKMWSA-N 443.543 5.842 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccc(C)c(C)c2)cc1C 1874591142 VGHPZCMFWWVFMG-ACCUITESSA-N 443.543 5.842 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3ccc(Cl)cc3)c2)cc1Cl 1874600012 OIXGMJIAZAMGIL-BJMVGYQFSA-N 443.326 6.486 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1cccc(Cl)c1 1874602631 WJOYLQOZQACPHT-PKNBQFBNSA-N 437.879 6.122 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1C 1874607483 QESQYOUPQZIXBK-RNTFSAEZSA-N 429.516 5.156 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc(Br)c1OCC 1874615567 FPQYSTRBACNJLT-VMPITWQZSA-N 444.152 6.449 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OCc1ccccc1Cl 1874616231 OZNFUBPXNSWRMU-FMIVXFBMSA-N 427.327 6.786 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OCC(=O)Nc1cc(C)ccc1C 1874617683 OPNVMLZHBKFMEQ-FMIVXFBMSA-N 443.543 5.842 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OCc3cccc(Cl)c3)c(OC)c2)c1 1874620825 VHCHEALGLZPEOJ-JXMROGBWSA-N 438.907 5.841 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)c1ccccc1 1874659696 FCYSXODNBINVOZ-LVXARBLLSA-N 447.623 5.476 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1OC(=O)c1ccccn1 1874702480 SPENHULXACLDCJ-WEVVVXLNSA-N 428.271 5.512 30 10 IKEE CCc1ccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c(C)c3C)c2)cc1 1874711820 IWGYLLANGCCWGD-DTQAZKPQSA-N 442.555 6.309 30 10 IKEE C=CCN(CC=C)CCC(=O)c1cccc(OC(=O)C(c2ccccc2)c2ccccc2)c1 1874729595 CIVBLGYDJYRIQV-UHFFFAOYSA-N 439.555 5.671 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(OC)c1OC(=O)c1cccs1 1875096549 TWIJGYULEZOUNT-FMIVXFBMSA-N 444.508 6.034 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)COCc3ccccc3)c([N+](=O)[O-])c2)cc1 1875101141 ORUVXYCIVACONQ-GXDHUFHOSA-N 445.471 5.176 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)cc3)c([N+](=O)[O-])c2)cc1 1875106099 BQUUQFWYFPVDPE-MHWRWJLKSA-N 443.499 6.361 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1Cl)c1ccc(Cl)cc1 1875120782 KJUDKJUAYFVPRF-XLUWADSXSA-N 433.237 6.387 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1Cl 1875126087 PCHJGXXPBZKCLQ-WUXMJOGZSA-N 427.283 6.117 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)cc2)cc1 1875129599 KQPBCBPNHQKJQQ-GEEGQQTBSA-N 446.930 6.344 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC(=O)C1CCCC1 1875135175 DKEUYDMROQESKG-JXMROGBWSA-N 449.330 6.002 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)C(C)(C)C)c(Br)c1 1875143041 GIPJSSUTPPCOLJ-VQHVLOKHSA-N 431.326 5.614 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1ccccc1C 1875151574 RAATWLGPCPJCSY-DHZHZOJOSA-N 430.456 5.238 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC3CCCCC3)c(Cl)c2)cc1F 1875152674 GKCOHABVEDKTKK-JXMROGBWSA-N 430.903 6.260 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)Cc1ccc(F)cc1 1875158615 FHOUTZJYTCZIAM-VGOFMYFVSA-N 448.465 5.746 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2Cl)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 1875162748 SXAFDLCLMFAJJR-WEVVVXLNSA-N 443.789 5.642 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1C 1875175835 IWHAKBJKSKADTM-WUXMJOGZSA-N 435.863 5.980 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccncc2)c(Cl)c1 1875181243 VZOFAXSRYKFMGY-HWKANZROSA-N 442.298 5.821 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3c(C)cc(C)cc3C)cc2)c1 1875182450 DSIIVCAPECRLEW-NTCAYCPXSA-N 442.555 6.581 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc(OC)c1OC(=O)CCC 1875185055 FENXBENJCOZLAJ-FYWRMAATSA-N 434.576 6.631 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1Cl 1875185442 DEXGFAFHCZKNJC-SOFGYWHQSA-N 441.738 6.647 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2ccc(OC(=O)c3ccncc3)cc2)cc1Cl 1875185782 OTDHJIGOWCHUJZ-QPJJXVBHSA-N 428.271 5.512 30 10 IKEE C#Cc1cc(C(=O)OC)cc(N(C)C(=O)OCC2c3ccccc3-c3ccccc32)c1C 1887521147 ZQGBGDUCXLDEBM-UHFFFAOYSA-N 425.484 5.148 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(C)c(C(F)(F)F)c3)ccc21 1890543935 ALJXLATVVWSUET-UHFFFAOYSA-N 432.442 5.204 30 10 IKEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 1890977729 DPZZHDWJCHSMLQ-UHFFFAOYSA-N 446.454 5.149 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)OC(C)(C)C 1922086366 PPGOIBHWWVQDMH-ZJZGAYNASA-N 428.617 5.163 30 10 IKEE CCCCCCCC[C@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCC 1947481489 PXQMSLZCGRYFBF-DNQXCXABSA-N 434.665 6.215 30 10 IKEE C=C([C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NC)C(C)(C)C 1947494974 XZXOWBQDSNVLCA-JOCHJYFZSA-N 429.649 5.126 30 10 IKEE CC(C)(C)OC(=O)N1CC(C)(C)[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C1 1996504453 IIOBEJNSDMYHCI-QHCPKHFHSA-N 449.979 5.621 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2020301581 YUOHCVKAYOLBBB-HOYKHHGWSA-N 435.609 5.486 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@H]2CC(C)(C)CN2C(=O)OC(C)(C)C)c1 2033715001 DDNZRYBGQQSZPO-PMACEKPBSA-N 443.588 5.664 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(C)s2)ccc1C 2033814115 YZVBELXGQRDQHF-FQEVSTJZSA-N 439.558 5.214 30 10 IKEE CCOc1ccc(C(=O)C(=Cc2c[nH]c3ccccc23)c2nc3ccccc3[nH]2)cc1OC 2040479984 FDOJQKQQIGJHAO-UHFFFAOYSA-N 437.499 5.875 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)C2(C#N)CCC(N(C)C(=O)OC(C)(C)C)CC2)cc1 2048952543 IYXYZKGAAGXTAK-UHFFFAOYSA-N 443.588 5.808 30 10 IKEE Cc1ccc([C@@H](n2nc(C3CCC3)c(C#N)c2I)C2(C)CC2)cc1 2079002835 PAGLGWIVVFIUGB-GOSISDBHSA-N 431.321 5.325 30 10 IKEE CC1([C@@H](c2ccc(C(F)(F)F)cc2F)n2nc(C(F)(F)F)c(C=O)c2Cl)CC1 2079971040 AVKVUDUILLRPCG-CYBMUJFWSA-N 428.735 5.915 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@]1(C#N)CCCN(C(=O)OC(C)(C)C)C12CCCCC2 2083808220 AEUGXOXMMOSSEM-VWLOTQADSA-N 449.636 5.876 30 10 IKEE N#Cc1ccc(NCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1F 2134727479 IASYTTNZBVFZHW-UHFFFAOYSA-N 438.502 6.467 30 10 IKEE C=C[C@@H](C1CC1)N(C)[C@@H](CN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2139827415 HOCCPCFRORNNCG-SVBPBHIXSA-N 442.603 5.741 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@@H]2Nc2cccc(Br)c2C#N)C1 2162310817 RHFBWHXWGQFUMY-GHTZIAJQSA-N 434.378 5.302 30 10 IKEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(Nc2ccc(C#N)c(Br)c2F)cc1 2162317213 YMKKTYJUSSAGDU-GFCCVEGCSA-N 434.309 5.789 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCCC)c2cc(C)cc(Br)c2F)C1 2197747074 BHGFJLFGKVZVEE-GOSISDBHSA-N 441.385 5.551 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C1 2214836267 JCDMQFBVORLFSN-RHGYRFJNSA-N 429.561 5.356 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Br)cc([C@H](N)C#Cc2ccc(Cl)cc2)c1 2230998309 CCFPHLCWUFTGRV-GOSISDBHSA-N 435.749 5.501 30 10 IKEE CCCCCCCCC[C@H](CO)N(C(=O)OCc1ccccc1)c1ccccc1Cl 2235444977 OAPIWBVWMLZTGK-JOCHJYFZSA-N 432.004 6.985 30 10 IKEE C=CCCC1([C@H](N)c2ccc(Br)c(Cl)c2)CN(C(=O)OC(C)(C)C)C1 2255003452 JCAVGDKTFBTZAF-MRXNPFEDSA-N 429.786 5.306 30 10 IKEE COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@@H]3C=Cc2ccccc2)cc1 2294335074 LFSSYFWGTHSGLA-HFZDXXHNSA-N 447.538 6.126 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@](C)(CC(C)C)NC(=O)OC(C)(C)C 2296294503 VBSWHTGRXQDQNK-KNQAVFIVSA-N 437.422 5.108 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)C(C)(C)CCNC(=O)OC(C)(C)C 2296299845 ZUAAVADUJOIPCG-IBGZPJMESA-N 437.422 5.110 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)CN(C(=O)OC(C)(C)C)C(C)(C)C 2296311632 ZKIQXEWXNPJVBG-LJQANCHMSA-N 437.422 5.204 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(OCc4ccccc4Cl)c3C)C2=O)c2ccccc21 2296630448 JTYFRPCPTDKOQO-UHFFFAOYSA-N 443.930 6.818 30 10 IKEE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)SC1=S 2296700332 YPFSBZWLDOGRRX-UHFFFAOYSA-N 445.613 5.852 30 10 IKEE COc1ccccc1C=C1Oc2cc(OCc3c(Cl)cccc3Cl)ccc2C1=O 2296865151 OQVRYBNZGNDUOL-UHFFFAOYSA-N 427.283 6.197 30 10 IKEE O=C1NC(=Nc2ccccc2)SC1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 2297188018 HZXBTISGCZQUBM-UHFFFAOYSA-N 425.853 5.400 30 10 IKEE CC[C@H](Oc1ccccc1C=C1SC(=Nc2ccc(C)cc2O)N(CC)C1=O)C(C)=O 2314927235 BTMPEGZVTWFTBJ-FQEVSTJZSA-N 438.549 5.071 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc3c2CN(CCc2c[nH]c4ccccc24)CO3)C1=O 2321911296 IXYVEZREFZEQCL-UHFFFAOYSA-N 436.511 5.487 30 10 IKEE Cc1cccc(C)c1OCCCc1nnc(S)n1N=Cc1ccc(Cl)cc1Cl 2322214793 XOTJCAPTKDEBDZ-UHFFFAOYSA-N 435.380 5.384 30 10 IKEE CCc1ccc(C=C2Oc3c(cc4c(c3C)OCN(CCc3ccc(C)cc3)C4)C2=O)cc1 2322436530 GAQYUDJANBJVBP-UHFFFAOYSA-N 439.555 5.877 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(C)cc1C 2322481592 PGCUJSWNKPVZFZ-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCOc1ccc(C(=O)C=Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1 2322549914 XOCRNYYWSSPGBK-UHFFFAOYSA-N 426.487 6.853 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccccc2OCc2ccc(C(=O)OCC)o2)cc1 2322605099 LWPQPMUTEPLOQB-UHFFFAOYSA-N 434.488 5.720 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC)c1OCc1ccccc1C 2322774895 CFDHONSXBBIZRC-UHFFFAOYSA-N 444.571 6.785 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3ccccc3)c2)cc1 2323076229 POFMGKPUWHWYNH-UHFFFAOYSA-N 443.543 5.951 30 10 IKEE CCN(CC)C(=O)COc1cccc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)c1 2323310047 DALYKPCXASRKPS-UHFFFAOYSA-N 436.335 5.145 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(Cl)c1OCC(=O)OC 2323423858 QUAZPFAUCLXYDF-UHFFFAOYSA-N 428.912 5.065 30 10 IKEE COc1ccc(OC)c(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccc(F)cc2)C3=O)c1 2323487003 ZZOJOHGNYWWISB-UHFFFAOYSA-N 446.430 5.078 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)cc(Br)c1OCCCO 2323621301 MERKYOQHYGRQOY-UHFFFAOYSA-N 439.733 5.159 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccco1)C2=O)c1cccc(OCc2ccccc2)c1 2323842545 CHFYZONCGZZCHM-UHFFFAOYSA-N 438.435 5.694 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Cl)c1OCc1cccc(Cl)c1 2323844451 PCISYQUIRIDPBB-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE COc1ccccc1-c1csc(NN=Cc2cc(Cl)c(OC)c(Cl)c2OC)n1 2323854655 KBVXHUZSLXBHFX-UHFFFAOYSA-N 438.336 5.589 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OCc1ccc(Cl)c(Cl)c1 2323873240 ZMFOSBBIZAQWBA-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C)cc2)C3=O)cc1 2323882164 IVEJOGFBQDXTLM-UHFFFAOYSA-N 428.440 5.146 30 10 IKEE CCN(CCc1ccncc1)Cc1c(O)cc(C)c2c1OC(=Cc1ccc(Cl)cc1)C2=O 2324091039 OYHQXGQXNJSVFL-UHFFFAOYSA-N 448.950 5.430 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)c1OCC(=O)Nc1ccccc1 2324434174 ZXCQQMCIBPEUAA-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3Cl)cc2)c(OCC)c1 2324484321 ZFRRIIQTGNRPFH-UHFFFAOYSA-N 436.935 6.613 30 10 IKEE Cc1cccc(OCCCCOc2ccc3c(c2C)OC(=Cc2ccccc2Cl)C3=O)c1 2324574086 LXOSTQZLMXWANS-UHFFFAOYSA-N 448.946 6.811 30 10 IKEE C=C(C)COc1c(Cl)cc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1OC 2324588944 ZDBXALCDZYZIJF-UHFFFAOYSA-N 441.738 6.515 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCc4ccc(C#N)cc4)c3C)C2=O)c(OC)c1 2324757000 KXVFFPBVXGFOLK-UHFFFAOYSA-N 427.456 5.079 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O 2325092664 JNBXDAUUPKQNHY-OAQYLSRUSA-N 426.484 5.723 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCc4ccc(C(=O)OC(C)C)o4)ccc3C2=O)cc1 2325385151 FRURUNDSXRFHEN-UHFFFAOYSA-N 448.471 5.439 30 10 IKEE C[C@H](Oc1ccc2c(c1)OC(=Cc1cccs1)C2=O)C(=O)Nc1nc2ccccc2s1 2325417835 PLPSZKCCMGCVAC-ZDUSSCGKSA-N 448.525 5.380 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(N(CC)CC)cc1 2325513043 UKIJHJPLDLKLER-UHFFFAOYSA-N 439.604 5.781 30 10 IKEE CCOc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 2325683800 BORGFVRYYQZRLM-UHFFFAOYSA-N 431.444 5.038 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(OC)cc3)c2)cc1 2325711252 WKHLMFFKORBCNH-UHFFFAOYSA-N 428.528 6.082 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)ccc3C2=O)o1 2325733518 COVASPLCTZMWSZ-UHFFFAOYSA-N 444.270 5.529 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2)cc1F 2325748705 JICYYZFGFKQLRF-UHFFFAOYSA-N 435.407 5.166 30 10 IKEE COc1ccc(C=CC(=O)c2cccc3ccccc23)cc1OC(=O)c1ccccc1F 2325749165 BYVSAQRYMFLISD-UHFFFAOYSA-N 426.443 6.103 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1OC(=O)c1cncc(C)c1 2325757350 ZSVUKECVTGVBRZ-UHFFFAOYSA-N 431.488 5.139 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)CCc3ccccc3C)c2)cc1Cl 2325769665 SDGPYQSAOPLJNP-UHFFFAOYSA-N 434.919 6.091 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1N=Cc1cccc(C)c1 2325854896 KRKQCNXLAUFJLZ-UHFFFAOYSA-N 448.636 6.056 30 10 IKEE CCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1cccc(OC)c1O 2326930993 CLIOOBQPRHWKBD-UHFFFAOYSA-N 440.613 5.136 30 10 IKEE CCOc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2cccs2)cc1 2328568095 DYFUHBSEAOUXLH-UHFFFAOYSA-N 448.617 5.546 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3C)n2N=Cc2ccncc2)cc1C 2328925916 CAZYQDDOVJSTLR-UHFFFAOYSA-N 441.604 5.558 30 10 IKEE Cc1ccc(CSc2nnc(CCOc3ccccc3)n2N=Cc2cccc(F)c2)cc1 2329151507 RYDKMYUEYIWWQS-UHFFFAOYSA-N 446.551 5.522 30 10 IKEE Clc1ccc(CSc2nnc(CCc3cccs3)n2N=Cc2ccc[nH]2)cc1 2329685308 ZZHNMYBJQQYMST-UHFFFAOYSA-N 427.986 5.281 30 10 IKEE Cc1ccc(CSc2nnc([C@@H](C)c3ccccc3)n2N=Cc2ccccc2C)cc1 2330050748 YQPPICRHZSZAKC-NRFANRHFSA-N 426.589 6.221 30 10 IKEE CCC(=NOCc1cc(=O)c(OCc2ccccc2)cn1C)c1ccc2c(c1)CCCC2 2330251894 RFPQNOZAQFLOIH-UHFFFAOYSA-N 430.548 5.174 30 10 IKEE Cc1ccccc1CSc1nnc(-c2cccs2)n1N=Cc1cccc([N+](=O)[O-])c1 2330537245 SGWAJFSQUBACHJ-UHFFFAOYSA-N 435.534 5.398 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2ccncc2)c(Cl)c1 2330695660 PEOXDWAMIOKLAM-UHFFFAOYSA-N 440.359 5.821 30 10 IKEE Cc1ccc(O)c(C=Nn2c(CC(C)(C)C)nnc2SCc2ccccc2Cl)c1 2330849558 MEBGDLCUIUEAAD-UHFFFAOYSA-N 428.989 5.709 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)c(C)c3)c([N+](=O)[O-])c2)cc1 2330970783 GHWRTOGMYLFJSH-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE Clc1ccc(CSc2nnc(C3CCCC3)n2N=Cc2ccncc2)c(Cl)c1 2331094137 GUJUTUVXSJIBND-UHFFFAOYSA-N 432.380 5.812 30 10 IKEE O=[N+]([O-])c1ccccc1C=Nn1c(SCc2ccc(Cl)cc2)nnc1C(F)(F)F 2331150201 IYRRXIFRHDWSEY-UHFFFAOYSA-N 441.822 5.033 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc(C=CC(=O)c2ccccc2)cc1Cl 2331165886 PFRLEGUDSORSON-UHFFFAOYSA-N 434.919 6.309 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)cc3)c(OC)c2)cc1 2331211396 XFDRWILMBGJFJV-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3c(F)cccc3Cl)c([N+](=O)[O-])c2)cc1 2331273602 UACMXLXIPAVLFU-UHFFFAOYSA-N 439.826 5.811 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1[N+](=O)[O-] 2331322746 LRMPIGBFUWDERJ-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CC3CCCCC3)c(Cl)c2)cc1F 2331453758 GKCOHABVEDKTKK-UHFFFAOYSA-N 430.903 6.260 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2)cc1 2331491442 HHSFRNXKMNJNBY-UHFFFAOYSA-N 428.528 6.253 30 10 IKEE COc1ccccc1C=Nn1c(SCc2cccc3ccccc23)nnc1C1CCC1 2331534439 HPGWIWCMUARGEJ-UHFFFAOYSA-N 428.561 5.882 30 10 IKEE CCCCC(=O)Oc1c(OCC)cc(C=CC(=O)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] 2331564907 FYXAZJHIIAPLQP-UHFFFAOYSA-N 433.407 5.263 30 10 IKEE COc1cc(C(=O)C=Cc2ccc(OC(=O)CC(C)C)c(OC)c2)c(OC)cc1Cl 2331693820 JQQOEZCMTNCJHG-UHFFFAOYSA-N 432.900 5.213 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)ccc1OC(=O)C(C)(C)C 2331869646 CXXYHSNQYQENIH-UHFFFAOYSA-N 432.516 6.095 30 10 IKEE C=C1C[C@@]23CC[C@@H]4[C@](C)(CC[C@H](OC(=O)C=Cc5ccccc5)[C@]4(C)C(=O)O)[C@H]2CC[C@H]1C3 2333122825 BJQOPHXIKHSJOP-ZEVIALFPSA-N 448.603 6.275 30 10 IKEE NCCO[C@H](C#CC1CCC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2337441787 PRRLBQMXGLPJKA-HHHXNRCGSA-N 441.571 5.665 30 10 IKEE COCc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)s1 2352086372 BMSVCAGQQCDFJX-MRXNPFEDSA-N 437.359 5.663 30 10 IKEE O=C1C[C@H](c2cccc(Cl)c2)CC2=C1[C@H](c1ccc(O)cc1)n1c(nc3ccccc31)N2 19634994 UROMXKGVJMDXEN-NSYGIPOTSA-N 441.918 5.811 30 10 IKEE CCCCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1cccs1)C2 20885115 ARJJYDSFMWYUBJ-XRHLQHRESA-N 444.600 6.907 30 10 IKEE COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2OC)C3)cc1O 21232078 JJRFZYXJSAOVFY-CBZJRKILSA-N 442.515 5.389 30 10 IKEE COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](c4ccc(Cl)cc4)CC3=O)Nc3onc(C)c32)cc1 28052305 DMOJYYSNYXAHLQ-VGSWGCGISA-N 448.906 5.381 30 10 IKEE Cc1ccc(NC(=S)N/N=C/C2=C(N3CCOCC3)/C(=C\c3ccccc3)CC2)c(C)c1 32704602 ODHIEOXAGCAVSC-RJQPRKLCSA-N 446.620 5.039 30 10 IKEE Cc1occc1C(=O)Nc1ccc(C(=O)/C=C/c2ccc(-c3cccc(Cl)c3)o2)cc1 39850897 ISKAIFNNTVYZSG-PKNBQFBNSA-N 431.875 6.650 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2ccc(NC(C)=O)cc2)cc1 39850938 BDBZXYDROADTGE-SFQUDFHCSA-N 437.499 5.402 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1ccc(Cl)cc1 40095778 HANXNUMQKBIQGT-SZNDQCEHSA-N 425.912 5.042 30 10 IKEE C=C(C)C(=O)N[C@H](C)c1nc2ccccc2n1CCCCOc1ccc([C@@H](C)CC)cc1 40191228 XHEOVWTVWQYMFW-LEWJYISDSA-N 433.596 6.162 30 10 IKEE C=CCc1ccc(OCCn2c(Cc3ccc(OC)cc3)nc3ccccc32)c(OC)c1 40226107 MAEKWMPFZSOUOY-UHFFFAOYSA-N 428.532 5.452 30 10 IKEE C=CCc1ccccc1OCCCCn1c(COc2cccc(C)c2)nc2ccccc21 40234196 TVBXROBHWPWNQD-UHFFFAOYSA-N 426.560 6.511 30 10 IKEE CCOc1ccc2nc(S[C@@H](C(=O)Nc3ccc(C#N)cc3)c3ccccc3)sc2c1 59842562 AFQLVOIDRYHFPH-JOCHJYFZSA-N 445.569 6.039 30 10 IKEE CCOc1ccc(/C=C2/S/C(=N\c3cccc(C)c3)N(CCCSC)C2=O)cc1 97995193 RAZKWSMPVZRHGS-RERTVAKNSA-N 426.607 5.751 30 10 IKEE CCCCCCCOc1cccc([C@@]2(C)Nc3ccccc3C(=O)N2Cc2ccco2)c1 100133148 NSVUKBFNMNIZTO-MHZLTWQESA-N 432.564 6.570 30 10 IKEE CN1C(=O)C[C@H](C(=O)Nc2cccc(Cl)c2)S/C1=N\c1cc(Cl)cc(Cl)c1 100263053 LDZWVSNWQILZJU-VKWHMPGMSA-N 442.755 5.237 30 10 IKEE CCCCCCCCCCCCCCCCCCC[C@@H](O)CCCCCC[C@@H](O)CC 100308038 AZCAOVQLYUGFIV-URLMMPGGSA-N 440.797 9.501 30 10 IKEE Cc1cc(C)c2nc(N3C(=O)C(=O)/C(=C(\O)c4ccco4)[C@H]3c3ccccc3F)sc2c1 102532703 AATNAHBSEMHYAL-HWCXCKHPSA-N 448.475 5.272 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S/C1=N/c1ccccc1 105509457 QSZMDHXFLDWPAM-NEHLPSIOSA-N 431.473 5.645 30 10 IKEE CCN1C(=S)N[C@H](c2ccc(OCc3cccc(Cl)c3)c(OC)c2)C(C(C)=O)=C1C 169933303 CTOJJITVUDUVEW-JOCHJYFZSA-N 444.984 5.042 30 10 IKEE COc1ccccc1-c1csc(N/N=C\c2cc(Br)cc(OC)c2OC)n1 169940137 KGYPTKFXXSMBSL-FBHDLOMBSA-N 448.342 5.044 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2cccc(C)c2)c1 169972983 PQSAVEYQJWCTHM-AREMUKBSSA-N 441.527 5.101 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccccc2)cc1 170032577 OAMIVVRPHNFCQE-HSZRJFAPSA-N 447.918 5.912 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccccc2C)c1 170037342 GQFYMGGZQSQNAU-VWLOTQADSA-N 441.527 5.793 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccccc2)c1 170047344 LJYNZNLPOKPULJ-XMMPIXPASA-N 438.483 5.350 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1)c1ccc2c(c1)CCO2 170057968 RZPGKXSHUZXGAB-JOCHJYFZSA-N 449.865 5.197 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccccc2OC)=C(N2C[C@@H](C)C[C@H](C)C2)C1=O 170060065 XJWWSCLTTSDTLI-PMACEKPBSA-N 426.601 5.114 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2Cc2cccnc2)cc1 170067921 OARKESKIADVKHN-SANMLTNESA-N 440.543 5.303 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2F)cc1 170071416 VTANATPDWUOHFI-OAQYLSRUSA-N 432.838 5.134 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(O)cc2)cc1C 170131411 UZGPTMQXAITDHE-HSZRJFAPSA-N 447.462 5.021 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccc(C)c2)c1 170138998 MBEIMNJOZNSAKI-QFIPXVFZSA-N 433.529 5.234 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2ccccc2O)c1 170141323 ZQINNLISBWIKAE-RUZDIDTESA-N 435.479 5.637 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2cccs2)cc1 170159494 KAAJSEDRPHAQHY-QFIPXVFZSA-N 433.529 5.627 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccncc2)c1 170205257 WJNQOPOMHYMYFR-DEOSSOPVSA-N 436.467 5.032 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccncc2)c1 170205597 QCZRFLXSXDIOPP-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccccc2)c1 170228022 LMKQMIAHEGMLDY-XMMPIXPASA-N 427.500 5.485 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(F)cc1 170240259 XWLDRVYIDLWKMV-XMMPIXPASA-N 445.490 5.704 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2c[nH]c3ccccc23)ccc1F 170254255 QVULOCWVBPOFEL-HSZRJFAPSA-N 426.447 5.398 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@@H]1c1cccc(O)c1 170262865 UTFSZOFFEFTMON-QHCPKHFHSA-N 437.536 5.211 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2C)c1 170272375 IFAHWAVHQWUKFQ-XMMPIXPASA-N 427.500 5.485 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]2c2ccco2)ccc1F 170288332 SSXOAIJGDPSDOZ-HXUWFJFHSA-N 425.843 5.472 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2ccc(C)o2)c1 170306076 OAQZXHYCOVWYOC-OAQYLSRUSA-N 439.414 5.048 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1c1ccc(F)c(Cl)c1 170333810 LTNDZEDKLFRONJ-LJQANCHMSA-N 443.883 5.332 30 10 IKEE COC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)c1 170468429 OEPOXTMDVVKXHK-OAQYLSRUSA-N 449.547 5.286 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 170471062 CABGEWZUZBIKOW-QHCPKHFHSA-N 445.515 5.364 30 10 IKEE C[C@@H](NC(=O)C[C@@H]1S/C(=N/c2ccccc2)N(c2ccccc2)C1=O)c1ccccc1 229680187 ZTAJNUUCTRKCMJ-WNBREWMXSA-N 429.545 5.090 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cn(C)c3ccccc23)cc1 526603564 NPWRISRUWFJBBY-SANMLTNESA-N 449.510 5.506 30 10 IKEE CC(C)COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(O)cc2)cc1 526604296 HBVFLRZQCXBIGU-VWLOTQADSA-N 440.499 5.356 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccccn2)c1 526605507 QZPQGMQBVLZLJV-DEOSSOPVSA-N 425.488 5.189 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(Sc3ccc(Cl)cc3)C2=O)cc1 526665434 SFWJCNHFURTCAJ-UHFFFAOYSA-N 445.931 5.509 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1/N=C\c1ccc(OC(C)(C)C)cc1 526802342 DQORSSYSFNGPKI-MYYYXRDXSA-N 426.561 5.722 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1ccccc1OCC(C)C 526818906 GQWPPYZKNPYKTB-YSMPRRRNSA-N 436.625 6.057 30 10 IKEE CC(C)(C)c1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 586261832 XLOMRQOMGCQCQD-UHFFFAOYSA-N 438.980 5.905 30 10 IKEE CCCCCCC[C@](C)(C(N)=O)N(C(=O)OC(C)(C)C)c1ccccc1Br 698442105 DCDBOATWINWPQC-OAQYLSRUSA-N 441.410 5.795 30 10 IKEE C=CCC1([C@H](NCCC)c2cccc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 722942528 UKJJPGIOXVSMOY-GOSISDBHSA-N 441.385 5.442 30 10 IKEE C[C@@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@]43C)[C@H]1C/C(=C\c1ccc(Br)cc1)C2=O 1074740198 CTGFFXZZHKKDLF-IUTLMSKNSA-N 441.453 7.444 30 10 IKEE Cc1cc(C=Nc2ccc(Nc3ccccc3)cc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 1083899291 XSHCYVCQCFHRJZ-UHFFFAOYSA-N 443.934 6.940 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nc3ccc(N=Cc4ccc(Cl)cc4)cc3s2)cc1 1084176637 XQXNIAFOKCMQMF-UHFFFAOYSA-N 439.949 6.901 30 10 IKEE CC(C)(C)c1cc(C=NN=c2c3ccccc3[nH]c3ccccc23)cc(C(C)(C)C)c1O 1084183628 PZXQMTQFILOPAJ-UHFFFAOYSA-N 425.576 6.557 30 10 IKEE Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N\NC(=S)Nc2cccc(C)c2)cc1 1857810636 AODWMMPWHCLYTP-QQXSKIMKSA-N 425.561 5.477 30 10 IKEE CC(C)Cc1c(Cl)c(C(=O)Nc2ccccc2C#N)nn1Cc1cccc(Cl)c1 1859379486 ZYKHFCSDQCAHPN-UHFFFAOYSA-N 427.335 5.561 30 10 IKEE Cc1ccc(-c2nc(-c3ccc4c(c3)oc(=O)n4C(=O)c3cccc(C#N)c3)cs2)cc1 1860472668 FSMOHOAATRLMDR-UHFFFAOYSA-N 437.480 5.254 30 10 IKEE CCCCCCOc1ccc(NC(=O)C(=O)/C=C/c2ccc(OCC)c(OCC)c2)cc1 1860729067 VBCIQWBRUUQAKO-MHWRWJLKSA-N 439.552 5.664 30 10 IKEE CCCCCCCCNC(=O)[C@@H](NC(=O)c1ccc2nc(C)c(C)nc2c1)c1ccccc1 1861401621 QYWLUOIKJCJHIX-VWLOTQADSA-N 446.595 5.194 30 10 IKEE CCCCCCCCNC(=O)[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1ccccc1 1861669035 IROSPSHEWWXJCZ-AUSIDOKSSA-N 445.003 5.442 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccccc2F)cc1 1862390730 KUZZISYEKKOCCX-HSZRJFAPSA-N 439.527 5.172 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1cccc(F)c1)c1c(F)cc(F)cc1F 1862457751 XASAZGPMRIEAAH-LJQANCHMSA-N 447.409 5.083 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@H]2c2ccccc2Cl)cc1 1862476261 HEDLXHJPLUNOQP-QHCPKHFHSA-N 447.918 5.306 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)cc1 1862479640 MGBINVGPCLYENS-BFMBIBTESA-N 447.575 5.941 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccccc2F)c1 1862490148 OOCWFQGBXYHOMS-RUZDIDTESA-N 443.518 5.838 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(OCC)c(OC)c1 1862496596 NNJCYMCTQOETHQ-HSZRJFAPSA-N 437.536 5.089 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cc(Cl)cc(Cl)c1 1862498868 SNASICOBBFILLW-JLTOFOAXSA-N 432.347 5.987 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(CC)CC)[C@H]2c2ccc(CC)cc2)cc1 1862529535 HLFDMAFKNWPIPI-VWLOTQADSA-N 448.607 5.122 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)cc1 1862627065 JHFODNGQOVYJSN-GSMBIVSISA-N 447.531 5.135 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cccc(Cl)c1)c1cccc2ccccc12 1862652686 JNLVEKAYFKXQSY-DEOSSOPVSA-N 445.946 6.404 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862667103 SLUFYQVVBFBPOK-VWLOTQADSA-N 447.619 6.876 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(OCC)c(OC)c1 1862670551 WOCRODCACAAOEG-QHCPKHFHSA-N 437.536 5.206 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 1862675889 VWSHBPDNDUKSHK-OAQYLSRUSA-N 427.903 5.780 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862718099 STPIRGBAVVDEFL-XDHUDOTRSA-N 429.516 5.615 30 10 IKEE Cc1ccc(Cl)cc1NC1=C(c2ccc(F)cc2)C(=O)N(c2cccc(C#N)c2)C1=O 1862769109 REXXVQJKZVTYCD-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3cccc(Cl)c3)C2=O)c1 1863024075 UVXYPHYLSGCEJS-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(C)cc2)C(=O)N(Cc2ccncc2)C1=O 1863613678 YUYCQGRGFLEMBP-UHFFFAOYSA-N 433.596 5.400 30 10 IKEE COc1cc2c(cc1OC)N(c1cc(Nc3cccc(C#N)c3)nc(-c3ccccc3)n1)CC2 1868354826 ORDVJGJIAZHAED-UHFFFAOYSA-N 449.514 5.470 30 10 IKEE CCCCCCCOc1cn(CCC)c(CSc2nc3ccccc3s2)cc1=O 1870252391 QQPBLUZRRQPKPR-UHFFFAOYSA-N 430.639 6.510 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCCC)c(=O)cc1CN(CC)CCCC 1870330288 CZZMYRBMYWWVBR-UHFFFAOYSA-N 436.637 5.163 30 10 IKEE N#Cc1ccc(COc2cn(Cc3ccco3)c(CNc3ccc(Cl)cc3)cc2=O)cc1 1871254369 TVWPHDHTTDYHCO-UHFFFAOYSA-N 445.906 5.206 30 10 IKEE CCCCCCCCCCN=c1nc2c(cnn2C)c(Nc2ccc(C(C)(C)C)cc2)[nH]1 1871298937 OZHIJZZUNFWILY-UHFFFAOYSA-N 436.648 6.379 30 10 IKEE CCCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(Br)cc1)C3=O 1871346604 NPTYRDUDRFPODT-NDENLUEZSA-N 442.353 5.716 30 10 IKEE Cc1cccc(CN2COc3cc(C)c4c(c3C2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C4=O)c1 1871348225 YZHBQQFKHSTIEK-FMCGGJTJSA-N 442.471 5.180 30 10 IKEE CCCCCCN1COc2c(cc3c(c2C)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)C1 1871353251 JRZZYUWGVGALQH-IWIPYMOSSA-N 433.592 6.641 30 10 IKEE CC[C@H](C)N1COc2c(cc3c(c2C)O/C(=C\c2ccc(-c4ccccc4)cc2)C3=O)C1 1871353560 SQYUFJDAMOOVBV-BDFPJNNISA-N 425.528 6.229 30 10 IKEE CCCOc1ccccc1/C=C/C(=O)Oc1ccc2c(c1)O/C(=C\c1ccccn1)C2=O 1871376162 WPTBMDJDDBYHMH-FNROFCJXSA-N 427.456 5.105 30 10 IKEE Cc1cc(OC(=O)c2cccc(OCC(C)C)c2)cc2c1C(=O)/C(=C/c1ccccc1F)O2 1871381380 QWHAJYJHQPOJAY-CFRMEGHHSA-N 446.474 6.004 30 10 IKEE O=C1/C(=C/c2ccccc2F)Oc2c1ccc(O)c2CN(C1CCCCC1)C1CCCCC1 1871393200 VFTAELFUDGMEQD-ONUIUJJFSA-N 449.566 6.615 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OCCCCOc4ccc(C)cc4)c3C)C2=O)cc1 1871404125 CIJPEWSXIWTEJT-DIBXZPPDSA-N 442.555 6.720 30 10 IKEE Cc1cc(OCc2ccc(C#N)cc2)cc2c1C(=O)/C(=C/c1ccc(Cl)c(Cl)c1)O2 1871418140 YSXNYTCMQHOEJI-YVNNLAQVSA-N 436.294 6.369 30 10 IKEE CCc1ccc(NC(=O)[C@H](CC)Oc2cc(C)c3c(c2)O/C(=C\c2cccs2)C3=O)cc1 1871424989 CGPRNHMFURJXFA-XUVWKZFSSA-N 447.556 6.031 30 10 IKEE CC(C)CCOC(=O)CCOc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O 1871429342 PQOPROXTAXPJSP-BKUYFWCQSA-N 432.875 5.454 30 10 IKEE CCCOC(=O)[C@@H](CC)Oc1cc(C)c2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O 1871434514 UIHFYROZNUNMFW-BDBXIWDTSA-N 449.330 6.029 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(Cl)cc2)cc2c1C(=O)/C(=C/c1cccs1)O2 1871440953 POQPAAIFQLVUAZ-ODLFYWEKSA-N 425.893 5.344 30 10 IKEE CC(=O)c1ccccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1cccc(C)c1)C2=O 1871441653 GRXNZSVNYBJQEZ-CFRMEGHHSA-N 441.483 5.140 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C(C)(C)C)cc4)cc(C)c3C2=O)o1 1871445392 TYDHPZIAVHMQMI-QRVIBDJDSA-N 445.515 5.828 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4c(C)cc(C)cc4C)ccc3C2=O)c1 1871459188 VVGLUVDNHJIJFL-CFRMEGHHSA-N 443.499 5.254 30 10 IKEE C=CCN([C@H](CCC)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 1872009668 DFLGTTUHATYOQJ-HSZRJFAPSA-N 442.625 5.277 30 10 IKEE COc1cc(OC)cc(C(=O)[C@H](C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c1 1872759541 RPJGPCXXNOOMCJ-QHCPKHFHSA-N 440.524 5.984 30 10 IKEE N#C[C@H](C(=O)c1cccc(Oc2ccccc2)c1)c1nc(-c2ccc(F)cc2F)cs1 1872767313 QLSSFPMIEYRZMX-HXUWFJFHSA-N 432.451 6.371 30 10 IKEE N#C[C@H](C(=O)Cc1cc(Cl)ccc1Cl)c1nc(-c2ccc3c(c2)OCO3)cs1 1872772458 DLXIUKWDMZBJHM-CQSZACIVSA-N 431.300 5.265 30 10 IKEE Cc1cccc(C)c1OCCCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)s2)cs1 1872789268 CHEFKHNYFHCHKF-HNNXBMFYSA-N 430.982 6.177 30 10 IKEE CCOc1ccc(-c2nc(C3=C(N)N(c4ccccc4C(C)C)CC3=O)sc2C)cc1 1872795939 FLTLFZREXCIBIH-UHFFFAOYSA-N 433.577 5.357 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(OC(F)(F)F)cc2)=C(c2cccc3ccccc23)C1=O 1873183142 JOORWCMADGMRCY-UHFFFAOYSA-N 438.405 5.116 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2OCCCC)=C(c2cccc(Cl)c2Cl)C1=O 1873341336 BSQAOIQKZYUPPP-UHFFFAOYSA-N 445.346 5.550 30 10 IKEE CCCCCCCCCCNC(=O)CCC(=O)N1CCc2[nH]c3ccc(OC)cc3c2C1 1873936444 HTFRTSCKFNCPGJ-UHFFFAOYSA-N 441.616 5.098 30 10 IKEE CSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1c(Cl)cccc1Cl 1874233556 OUKKYWFJJKJPPE-AFUMVMLFSA-N 441.387 6.127 30 10 IKEE CCCc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2cccnc2)cc1 1874258409 ZFSUBDOXGKPNND-WPWMEQJKSA-N 443.576 5.379 30 10 IKEE Fc1ccccc1CSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc[nH]1 1874269824 PXHXVGQHTLOPJC-LQKURTRISA-N 441.535 5.664 30 10 IKEE CCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1c(Cl)cccc1Cl 1874270843 REAFUFHZKPJIQD-AFUMVMLFSA-N 441.387 6.323 30 10 IKEE CCCCC1CCC(c2nnc(SCC)n2/N=C/c2ccc(O)c([N+](=O)[O-])c2)CC1 1874284826 AGYAAUUHLMXLEX-HYARGMPZSA-N 431.562 5.350 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(COc3ccc(C)cc3C)nnc2SC)cc1 1874325185 BYHAEMNMOGCPQJ-PCLIKHOPSA-N 438.597 5.647 30 10 IKEE O=[N+]([O-])c1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SCc2ccccc2)cc1 1874375692 IZXWHFCZKYPJQH-MFKUBSTISA-N 447.495 5.091 30 10 IKEE COc1ccccc1/C=N/n1c(CCc2ccccc2)nnc1SCc1ccccc1F 1874402892 NZJFZDNAMLPOBV-WPWMEQJKSA-N 446.551 5.386 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2cccs2)cc1OC 1874422289 DZYSKCAIVQOWSX-OEAKJJBVSA-N 436.562 5.198 30 10 IKEE CC(C)(C)c1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2C(F)(F)F)cc1 1874460936 NHTDMVQOEMMNKR-RPPGKUMJSA-N 436.478 5.908 30 10 IKEE C=CCSc1nnc(C(C)(C)C)n1/N=C/c1ccc(OCCCCCC)c(OC)c1 1874484908 UQCSCLGLIYUBJO-JJIBRWJFSA-N 430.618 5.704 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C(C)(C)C)c1OC 1874485100 DZHHCORLIQNUOD-ZMOGYAJESA-N 444.988 5.421 30 10 IKEE CCOc1c(/C=N/n2c(CC(C)C)nnc2SCc2ccc(C)cc2)cccc1OC 1874486160 DSVVOENVBPVILI-MFKUBSTISA-N 438.597 5.367 30 10 IKEE CCCc1nnc(SCCc2ccccc2)n1/N=C/c1c(OC)ccc2ccccc12 1874508090 LTIOMPFZLVCGHM-NLRVBDNBSA-N 430.577 5.609 30 10 IKEE CCOc1cc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C(C)C)ccc1O 1874514941 NFVFQRJGGFZFNH-BHGWPJFGSA-N 448.951 5.473 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(C)nnc2SCCc2ccccc2)cc1OC 1874531334 DSRRTYJOHGFDTR-XIEYBQDHSA-N 438.597 5.381 30 10 IKEE O=C(COc1ccccc1/C=C/C(=O)c1ccc(Cl)cc1Cl)Nc1nccs1 1874573670 ZETAXZNGVRTMOM-VMPITWQZSA-N 433.316 5.364 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)cc1 1874575765 FXBKLYFCRYKDSL-BJMVGYQFSA-N 447.745 7.131 30 10 IKEE COC(=O)COc1ccc(Br)cc1/C=C/C(=O)c1ccc(Cl)c(Cl)c1 1874578979 QDJNEMXWLVPSEB-ZZXKWVIFSA-N 444.108 5.204 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCc2ccccc2)cc1 1874579797 JFHJBUGEXGIAMB-SDNWHVSQSA-N 436.935 6.613 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cc(Cl)ccc2OCc2nc(O)c3ccccc3n2)c1 1874580357 JXEIKMXDADJJDC-PKNBQFBNSA-N 444.918 6.081 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)cc1 1874581762 FMHXVVAZBAMVGG-LICLKQGHSA-N 431.507 6.037 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2cccc(C)c2C)cc1F 1874582224 DJWYAZABTXRGIO-ACCUITESSA-N 433.479 5.365 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccccc1OCc1ccc(Cl)cc1 1874586368 KOCBTDJABMSATA-DHZHZOJOSA-N 447.745 7.131 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccccc1OCc1ccc(Cl)cc1 1874589276 CLXOQMZOHVODLR-FMIVXFBMSA-N 427.327 6.786 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1OC 1874604629 XRYHVHZHMUYSOJ-DHZHZOJOSA-N 438.907 5.841 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc([N+](=O)[O-])c1OCc1ccccc1F 1874604826 HNHXNZNCEBSERZ-SDNWHVSQSA-N 449.478 6.170 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(OC)ccc2OC)ccc1OCc1ccccc1F 1874619310 UIULYBSVYRXSPY-FMIVXFBMSA-N 436.479 5.717 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2cccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)c2)c1 1874692692 SWZXRUXAHGIWPB-BUHFOSPRSA-N 445.471 5.564 30 10 IKEE COc1ccc(CC(=O)Oc2cc(/C=C/C(=O)c3ccc(Cl)cc3)ccc2OC)cc1 1874700911 SAOOBPLOVKWMAS-WLRTZDKTSA-N 436.891 5.401 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(OC)c1OC(=O)c1cccnc1 1875102920 HGLAKZNYQUKRTE-SDNWHVSQSA-N 427.500 5.496 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1OC(=O)C1CC1 1875104048 CQUQFMPLRHEQFC-FARCUNLSSA-N 425.695 5.867 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3OC)cc2OC)cc1 1875120132 CZGZATAEESHLFS-DTQAZKPQSA-N 444.527 5.701 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(Cl)c2)c(C)c1 1875131942 WSJACEHCFBXNPA-NYYWCZLTSA-N 435.863 5.980 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)[C@H](C)c1ccccc1 1875132366 QNEKIPKMXKOFKM-GPZRYRNASA-N 434.919 6.262 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)C(C)(C)C)c(OC)c2)cc1 1875136591 QUDSLIYYMWFJEY-KPKJPENVSA-N 430.928 5.985 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3cccc4ccccc34)cc2)cc1C 1875154326 ZBOKHVAPBXQVGM-GHRIWEEISA-N 436.507 6.337 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)c1ccc(F)c(F)c1 1875161725 DSZNVCFHKYVRFV-XCVCLJGOSA-N 433.237 6.387 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Oc4ccccc4)cc3)cc2)cc1 1875165422 XBGAGBGXUMTUEK-RGVLZGJSSA-N 434.491 6.903 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2ccccc2[N+](=O)[O-])cc1 1875169803 SZNMZMHHTRRSAA-JLHYYAGUSA-N 445.471 5.264 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3c(C)cc(C)cc3C)cc2)cc1 1875182717 RBUXTVKBEPFDKF-FOWTUZBSSA-N 426.556 6.609 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3c(C)cc(C)cc3C)cc2Cl)cc1 1875183297 ULFNRAASTSBNQU-XYOKQWHBSA-N 432.947 6.943 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)CCOc3ccccc3)cc2)cc1C 1875186999 OLMYYJOFSWIIID-SDNWHVSQSA-N 430.500 5.583 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(N(C)C)cc3)cc2)cc1C 1875187352 ZXYPLKCBTGEXQZ-OVCLIPMQSA-N 429.516 5.493 30 10 IKEE CC#CCCCCC(=O)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1885368745 BGFOWIQKRKDHEZ-GDLZYMKVSA-N 442.555 6.031 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CN(C(=O)OC(C)(C)C)CCC1(C)C 1922106871 HKEOSHSPYUUCLC-PKTZIBPZSA-N 430.633 5.411 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C 1926634433 QFMCLVXKZGGDPX-LOSJGSFVSA-N 444.660 5.991 30 10 IKEE C#Cc1ccc([C@H](CCNC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)O)cc1 1952224465 KPUBCMPEIDGODA-OAQYLSRUSA-N 439.511 5.155 30 10 IKEE CCSc1cccc(NCCN(OCc2ccccc2)C(=O)OC(C)(C)C)c1C#N 1977572347 IWQFORJNBRBFTF-UHFFFAOYSA-N 427.570 5.451 30 10 IKEE CCCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 2018644716 FAZYONJVDKWQPF-XMMPIXPASA-N 435.609 5.630 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)[C@@H]1C(C)(C)C 2020139234 JXKLODNLMZPVIT-UUOWRZLLSA-N 435.609 5.484 30 10 IKEE CSc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)s1 2032266850 RNKNHKLRHVQMGD-AWEZNQCLSA-N 439.400 6.239 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@](C#N)(N(C(=O)OC(C)(C)C)c3cccc(F)c3)C[C@H]2C1 2040975777 APQPKSBJHORXQE-CZKAHXPPSA-N 445.535 5.106 30 10 IKEE Cn1cnnc1Sc1ccc(C=CC(=O)c2ccc(C3CCCCC3)cc2)cc1[N+](=O)[O-] 2053612140 YGCOJOQDHKRULJ-UHFFFAOYSA-N 448.548 5.818 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@@H]1C1CC1 2067980311 ORNWBOIYWXFVJL-NLFFAJNJSA-N 441.572 5.418 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C12CC2 2070832333 LMJBZUQHDRPEFE-XMMPIXPASA-N 445.535 5.393 30 10 IKEE O=C(C=C1CCCC1)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071345234 OGRDZAUNYPAERX-MUUNZHRXSA-N 428.528 5.948 30 10 IKEE Cc1ccc([C@@H](C2CC2)n2nc(C3CCC3)c(C#N)c2I)c(C)c1 2079035947 NKDBQYHBYDQJJS-LJQANCHMSA-N 431.321 5.243 30 10 IKEE COC(=O)c1cnc2c(-c3ccc(F)c(C(F)(F)F)c3)c(C(F)(F)F)nn2c1Cl 2081529393 HRROMYBLOJHYTA-UHFFFAOYSA-N 441.690 5.013 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CC[C@@H](P(C)(C)=O)C1 2104502683 YGYIFLQZXGHMAP-APWZRJJASA-N 441.306 5.628 30 10 IKEE CCC[C@]1(Nc2cc(Br)c(C#N)cc2F)CCN(C(=O)OC(C)(C)C)C1 2105994326 CWGKUGXCHRKLJC-IBGZPJMESA-N 426.330 5.051 30 10 IKEE C=CCN(C[C@H](Cc1ccc(Cl)c(Br)c1F)NCC)C(=O)OC(C)(C)C 2110508179 AASOVFCTFPFWQD-AWEZNQCLSA-N 449.792 5.185 30 10 IKEE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)[C@@H]2C[C@@H](c3ccccc3)CC[C@H]2C#N)C1 2117931186 OJVRWGJDSPZLNG-KYPHJKQUSA-N 445.607 5.584 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)c(C)c(Br)c1)NCCC 2126701246 XDNQRVWBICWAMG-QZTJIDSGSA-N 445.829 5.401 30 10 IKEE CC(C)(C)[C@H]1CCSC(=Nc2ccc(Cl)c(I)c2Cl)N1 2150345530 OQTSCGSDNPISHR-SNVBAGLBSA-N 443.181 5.727 30 10 IKEE C=C(Br)CCOc1c(Br)cc(Cl)cc1CNCC(C)C 2163483254 FHXKZNJHCWJVKC-UHFFFAOYSA-N 425.592 5.526 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1cc(Br)ccc1OC(F)F 2164222735 VMIZXJHELGLWFD-FQEVSTJZSA-N 440.328 5.864 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1cc(NC(=O)OC(C)(C)C)ccc1OC 2221620651 APERHAAIDCYDHU-XMMPIXPASA-N 440.584 5.856 30 10 IKEE C=CCC1([C@H](NC)c2sc(C)c(C)c2Br)CN(C(=O)OC(C)(C)C)C1 2221818828 VJRVULHJKMQDPQ-MRXNPFEDSA-N 429.424 5.201 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1sc(Br)c(C)c1C 2265918389 HDDVGUDWPWFMJU-HZPDHXFCSA-N 443.451 5.475 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@@H](N)C#Cc2ccccc2Cl)cc1Br 2277847155 AWVWENJMXPHVSS-KRWDZBQOSA-N 435.749 5.501 30 10 IKEE CC(C)c1cc(Br)cc([C@H](C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)c1 2280732629 WMKKCNOQPMVBJO-KRWDZBQOSA-N 436.354 6.075 30 10 IKEE CC(C)(C)N(Cc1ccccc1)C(=O)c1ccc2cc(B3OC(C)(C)C(C)(C)O3)ccc2c1 2282569242 OPVAMVPGVBEMEU-UHFFFAOYSA-N 443.396 5.580 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H](CNc2c(Br)cccc2C#N)C1 2285168892 DEBOJBUEIKMRKB-INIZCTEOSA-N 434.378 5.160 30 10 IKEE O=S(=O)(N=Cc1ccc(Cl)c(Cl)c1)N(Cc1ccccc1)Cc1ccccc1 2294953884 LSAMVLKQPXGBON-UHFFFAOYSA-N 433.360 5.360 30 10 IKEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(C(C)C)cc2)cc1 2296114002 IGKKIKNXSKMWIB-QFIPXVFZSA-N 446.572 5.818 30 10 IKEE CC(C)(C)OC(=O)N1CCc2sc(C(=O)C#Cc3cccc(Br)c3)cc2C1 2296218161 BFDRNOGGECWDNV-UHFFFAOYSA-N 446.366 5.038 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@](C)(NC(=O)OC(C)(C)C)C(C)C 2296228257 XGGZOKXMIGZHQB-KNQAVFIVSA-N 437.422 5.108 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H](C[C@H](C)CC)NC(=O)OC(C)(C)C 2296310545 LAQUHIJBKAWVAQ-AHRSYUTCSA-N 437.422 5.108 30 10 IKEE Cc1ccc(C)c(N=C2SC(=C3Sc4ccccc4N3C)C(=O)N2c2ccccc2)c1 2297550020 BUQZDLRNSVBBNH-UHFFFAOYSA-N 443.597 6.482 30 10 IKEE CC(=NNc1cc(Cl)nc(-c2ccccc2)n1)c1ccc(I)cc1 2297708819 UZRLDOZFQPRUAP-UHFFFAOYSA-N 448.695 5.238 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@@]1(C#N)C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 2310844830 ROFOKUDQVUWSJT-RZOLNQLPSA-N 436.527 5.845 30 10 IKEE CCN1C(=O)C(=Cc2ccc(OCc3ccc(C)cc3)cc2)SC1=Nc1cccc(C)n1 2314540668 VRCUWYHCHSDIFK-UHFFFAOYSA-N 443.572 5.901 30 10 IKEE COc1ccccc1C=C1SC(=Nc2cccc(C(=O)O)c2)N(C2CCCCC2)C1=O 2314548575 VRMDYDMXZMXHDG-UHFFFAOYSA-N 436.533 5.330 30 10 IKEE CCOc1cc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CC2)ccc1O 2320882100 OPRNZPKTLJTFDA-UHFFFAOYSA-N 428.945 5.088 30 10 IKEE CC(C)Cc1nnc(S)n1N=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 2321888313 FQKOVBPBNOEGQX-UHFFFAOYSA-N 435.380 5.533 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(N(C)C)cc1)O3)CN([C@@H]1CCCC[C@H]1C)CO2 2322153259 RUAZZHCHHKOTNP-VGOFRKELSA-N 432.564 5.408 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(Cl)cc1Cl)C3=O)CN(CCC(C)C)CO2 2322436954 PTUQZUFOHGITAS-UHFFFAOYSA-N 432.347 6.116 30 10 IKEE CCOc1c(Br)cc(Br)cc1C=CC(=O)c1ccc(OC)cc1 2322451800 ZCFIYXQEAZJVDH-UHFFFAOYSA-N 440.131 5.515 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCc2ccccc2F)cc1 2322455464 JUJUSLXLMPHQND-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE COc1cccc(C=CC(=O)c2cccc(Cl)c2)c1OCC(=O)Nc1cc(C)cc(C)c1 2322528051 CXYROUNYCOLERR-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2ccccc2C)cc1 2322557785 UWBUSULUDZYNON-UHFFFAOYSA-N 449.934 5.961 30 10 IKEE CC(C)(C)n1ncc(NN=Cc2ccc(OCc3ccc(Cl)cc3)cc2)c(Cl)c1=O 2322601451 XYXKYZYNJJYIFB-UHFFFAOYSA-N 445.350 5.330 30 10 IKEE CCCOC(=O)COc1ccc2ccccc2c1C=CC(=O)c1cc(OC)ccc1OC 2322659699 TWLKRHLLDVZXSN-UHFFFAOYSA-N 434.488 5.085 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2c(C)cccc2C)cc1F 2322705111 NGDYNTSUXPZHLS-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE Cc1c(OC(=O)c2cc3ccccc3o2)ccc2c1OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2322842779 KXMBZMJNQJPVGI-UHFFFAOYSA-N 441.395 5.485 30 10 IKEE COc1cccc2cc(C(=O)Oc3ccc4c(c3)OC(=Cc3ccccc3Cl)C4=O)oc12 2322856955 RXVPTHYBPRBWAA-UHFFFAOYSA-N 446.842 5.930 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(OC(=O)C=Cc4ccc(C)cc4)c3C)C2=O)cc1 2323063626 VGWKZHXULLACPO-UHFFFAOYSA-N 440.495 5.937 30 10 IKEE COc1ccc(C=CC(=O)c2cccc3ccccc23)cc1OCc1ccccc1Cl 2323202102 DFCRBSVHZVWQLH-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE COc1cc(C(=O)C=Cc2ccc(OC)c(OC)c2Br)c(OC)cc1Cl 2323272286 PIMWSNGCCCURRK-UHFFFAOYSA-N 441.705 5.033 30 10 IKEE O=C1C(=Cc2c(F)cccc2Cl)Oc2cc(OC(=O)c3cccc4ccccc34)ccc21 2323472576 PUXRPJFYBAPCGM-UHFFFAOYSA-N 444.845 6.468 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)cc([N+](=O)[O-])c1OCc1cccc(C)c1 2323502235 WOQZGJMGURFZON-UHFFFAOYSA-N 447.487 5.786 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1cccc(Cl)c1 2323532791 RLGQAFBFXBLIPG-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE O=C(CC(c1ccccc1)c1ccccc1)Oc1ccc2c(c1)OC(=Cc1ccco1)C2=O 2323536880 ZMUCXBVXKUPAER-UHFFFAOYSA-N 436.463 6.023 30 10 IKEE Cc1c(OC(=O)c2cc(Cl)ccc2Cl)ccc2c1OC(=Cc1ccncc1)C2=O 2323583555 GDLQRNLYXBQXOV-UHFFFAOYSA-N 426.255 5.532 30 10 IKEE COc1ccc(Br)cc1C=C1Oc2c(ccc(OC(=O)CC(C)C)c2C)C1=O 2323767226 MSEXNTLBLWURNG-UHFFFAOYSA-N 445.309 5.334 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OCC(=O)NC1CCCCC1 2323812853 UYIDXISFLUUEJA-UHFFFAOYSA-N 441.955 5.463 30 10 IKEE O=C(CCc1cccs1)Oc1ccc2c(c1)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2323972091 MQROECHOOHKRGJ-UHFFFAOYSA-N 445.323 6.209 30 10 IKEE Cc1cc(O)c(CN2CCC(C)CC2)c2c1C(=O)C(=Cc1ccc(-c3ccccc3)cc1)O2 2324154330 LSJYROXVIRPHSQ-UHFFFAOYSA-N 439.555 6.216 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OCC(=O)Nc1nccs1 2324455396 GFSIYYFUQLUQIG-UHFFFAOYSA-N 436.533 5.072 30 10 IKEE Cc1c(OCc2ccc(C(=O)OC(C)C)cc2)ccc2c1OC(=Cc1ccc(F)cc1)C2=O 2324605960 BNFVYCNHAQDTTF-UHFFFAOYSA-N 446.474 5.895 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccc(Cl)cc4)cc(C)c3C2=O)o1 2324620617 NWKIZHVNUIMOIC-OAHLLOKOSA-N 437.879 5.572 30 10 IKEE CC(C)c1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc4c(c3)OCCO4)n2)cc1 2324647819 PHKHHRAQSYFUOO-HXUWFJFHSA-N 430.529 5.594 30 10 IKEE O=C(C=Cc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 2325631378 ZJMJWZJRKJDAGS-UHFFFAOYSA-N 436.851 5.048 30 10 IKEE CCCOc1ccc(C=CC(=O)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1OCC 2325648651 WJTWGMGZRSUOOY-UHFFFAOYSA-N 436.552 5.085 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(F)cc2F)c1)c1ccc(-c2ccccc2)cc1 2325669702 PZJJFAWUWMMAFV-UHFFFAOYSA-N 440.445 6.747 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)CCCC4)c2)cc1 2325702081 PEGHGOIPKVDKFA-UHFFFAOYSA-N 438.567 6.978 30 10 IKEE COc1ccccc1C(=O)C=Cc1cccc(OC(=O)Cc2cc(Cl)ccc2Cl)c1 2325724016 RTWFKSNPWQJFEU-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3cc(OC)ccc3OC)c2)cc1 2325734468 HUOQPGRJVKBNLB-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE CCCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1N=Cc1cccn1C 2325812618 LRMUWKVLFKJXIJ-UHFFFAOYSA-N 446.020 5.283 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1cccc(O)c1 2326014556 ULZSKLPXQHKTBS-UHFFFAOYSA-N 442.972 5.199 30 10 IKEE CCCOc1ccc(C=Nn2c(CCC)nnc2SCc2ccc(F)cc2)cc1OC 2326250346 UVCQULZQKGLBKA-UHFFFAOYSA-N 442.560 5.342 30 10 IKEE CCc1ccc(OCCCc2nnc(SCc3ccccc3)n2N=Cc2ccco2)cc1 2326324017 CCVBOOHTWKRFJU-UHFFFAOYSA-N 446.576 5.620 30 10 IKEE C=CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccc(C(C)(C)C)cc1 2326924400 WJZASRQUNZJYGZ-UHFFFAOYSA-N 448.680 6.495 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2ccccc2)n1N=Cc1ccccc1 2328558423 ZQUFYFYSBFHIPE-UHFFFAOYSA-N 428.561 5.648 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OC)cc2)n1N=Cc1ccc(N(CC)CC)cc1 2329277267 RMXWWUOXDVUQGG-UHFFFAOYSA-N 449.624 5.274 30 10 IKEE O=C(O)c1ccccc1C=Nn1c(SCc2ccccc2)nnc1-c1ccccc1Cl 2329573687 BXBLUWWYOXJZTM-UHFFFAOYSA-N 448.935 5.471 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccccc3Cl)n2N=Cc2ccc(O)cc2)c1 2329578340 YSPFSIZSZAMEIK-UHFFFAOYSA-N 448.979 6.095 30 10 IKEE Oc1ccc(C=Nn2c(CCc3cccs3)nnc2SCc2ccc(F)cc2)cc1 2329636472 OUCFBRAJMCOGDA-UHFFFAOYSA-N 438.553 5.144 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2ccccc2)cc1C 2330639912 VTBGAPCGDRTUGI-UHFFFAOYSA-N 441.560 5.175 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccccc3)nnc2-c2ccccc2)c1OC 2330671265 RLIBPUGBZPBBPC-UHFFFAOYSA-N 430.533 5.137 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C2CCC2)c(Br)c1)c1ccc2c(c1)CCCC2 2330684811 KFORMCJMQHDLKZ-UHFFFAOYSA-N 439.349 5.930 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3)c(OC)c2)cc1OC 2330736162 JMMZMFRLDXACPY-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(OC)c1OC(=O)c1ccccc1F 2330911249 AYFWTKXCDVYURH-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(N(C)C)cc3)c(Cl)c2)cc1 2330961379 ILVKMCIIUMAUCR-UHFFFAOYSA-N 435.907 5.530 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2331017820 GJZXIMTYRPYEHG-UHFFFAOYSA-N 437.451 5.792 30 10 IKEE Oc1ccc(Cl)cc1C=Nn1c(SCc2cccc(Cl)c2)nnc1C(F)(F)F 2331155067 RFNSBDQFUNXVCQ-UHFFFAOYSA-N 447.269 5.484 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)Cc1ccc(C)c(C)c1 2331230026 AVUKVYJCWHFLNH-UHFFFAOYSA-N 442.555 6.363 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)cc3)c(OC)c2)cc1 2331311452 IYKZIQLVYHRRCY-UHFFFAOYSA-N 444.527 5.837 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccccc2CC)n1N=Cc1sccc1C 2331324301 HDHANJHJEBRNQJ-UHFFFAOYSA-N 441.626 5.166 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)c3cccc(Br)c3)cc2)ccc1F 2331331887 GFAWFKFKXFNJJM-UHFFFAOYSA-N 439.280 6.012 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(SCc2ccccc2F)nnc1C(C)(C)C 2331397516 LAUUXPVDMHXGOG-UHFFFAOYSA-N 448.567 6.051 30 10 IKEE COc1cc(C=Nn2c(CC(C)C)nnc2SC)ccc1OCCCc1ccccc1 2331417771 OPYAODWMYKPLTI-UHFFFAOYSA-N 438.597 5.101 30 10 IKEE CCOc1cc(C=Nn2c(CC(C)C)nnc2SCC)ccc1OCc1ccccc1 2331447453 WLUGBAXIYVUHQU-UHFFFAOYSA-N 438.597 5.449 30 10 IKEE C=C(C)CSc1nnc(CC(C)C)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2331452215 UHJVVUIPSJKSSL-UHFFFAOYSA-N 434.565 5.246 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CC(C)C)nnc1SCc1cccc(Cl)c1 2331470662 BTRWOWLZJMFKNE-UHFFFAOYSA-N 441.000 5.869 30 10 IKEE Fc1cccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CCC2)c1 2331541718 GUWXQOVQWRAWMW-UHFFFAOYSA-N 435.355 6.166 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)c2cncc(C)c2)cc1 2331546258 ACUSYJAOTNIQJP-UHFFFAOYSA-N 429.516 5.811 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)c1cncc(C)c1 2331630221 FZSAOEJTLBCFPJ-UHFFFAOYSA-N 445.515 5.529 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2Cl)cc1 2331705732 FMOLTKVGUVCQQP-UHFFFAOYSA-N 434.919 6.471 30 10 IKEE CC1(C)CN(Cc2ccccc2)C[C@H]1CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2365061410 UNCGGWNQLQNDPS-HSZRJFAPSA-N 447.432 5.296 30 10 IKEE CCCCCCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CCCC3)cc1 14028546 MJVGSUJLMZPUMT-UHFFFAOYSA-N 441.622 5.584 30 10 IKEE Fc1ccc(N2C(=S)C3(CCCCC3)[C@@H](N3CCCCC3)/C2=N\C2CCCCC2)cc1 15861789 VVWRIFLZGXTUFT-OSQOMCJFSA-N 441.660 6.509 30 10 IKEE CCCCOc1ccc(/C=C2/CC(C)C/C(=C\c3ccc(OCCCC)cc3)C2=O)cc1 16639151 SQTMGMBLJHAWKX-NTDJFUTDSA-N 432.604 7.510 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)S/C1=N\c1ccc(C(=O)O)c(O)c1 16927301 HYWUIKBRSGVGEG-YOSYJNDJSA-N 449.315 5.187 30 10 IKEE CCCCOc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(OCCC)cc1)C2 20883030 YHULTNVRUGQGCD-OFNKIYASSA-N 447.575 5.659 30 10 IKEE CC(C)COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc3ccccc23)cc1 20885355 IMDYEQJODGBJAB-BWKNWUBXSA-N 439.555 5.879 30 10 IKEE CC(C)COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2c(F)cccc2Cl)cc1 21244021 WXGKSPXZNRRISV-SJLPKXTDSA-N 441.930 5.518 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NC1CCCC1)[C@@H]2c1ccccc1 21722087 AAXDOSGNAXKKMX-RUZDIDTESA-N 429.564 5.955 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)cc2)c1 34953810 NQDKRRXCSXSFAN-JOCHJYFZSA-N 432.907 5.130 30 10 IKEE CCOc1ccccc1/C=C\C(=O)c1ccc(OC(=O)c2ccc(OC)c(OC)c2)cc1 34954328 AYPRKUWWPOLMEA-PTNGSMBKSA-N 432.472 5.218 30 10 IKEE O=C(/C=C/c1ccc(F)cc1)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 35343027 WIRIJSZJGXRYNN-LZWSPWQCSA-N 425.253 5.704 30 10 IKEE O=C1N/C(=N/c2ccc(Br)cc2)S[C@@H]1Cc1cc(Cl)cc(Cl)c1 39847281 IVDKQHCEZJRFDT-CQSZACIVSA-N 430.154 5.218 30 10 IKEE O=C1/C(=C/c2ccccc2Cl)S/C(=N/c2cccnc2Cl)N1C1CCCCC1 39864133 PBLLTDNSGPYLDL-OQJKFJKISA-N 432.376 6.325 30 10 IKEE O=C1N/C(=N\N=C\c2ccc(-c3ccc(Cl)cc3)o2)S[C@@H]1Cc1ccccc1Cl 39888130 NGZSUQOUZITYGC-QVHMZZSFSA-N 444.343 5.418 30 10 IKEE O=C1C[C@H](S/C(=N/c2ccccc2)NCc2ccccc2)C(=O)N1c1ccc(Cl)cc1 59446241 CFJSOBLVCSLXCI-NRFANRHFSA-N 449.963 5.183 30 10 IKEE CCCCCCCOc1cccc(NC(=O)CNc2ccc(C)c(NC(=O)CC)c2)c1 100118706 UBMJIMWBVHPNOF-UHFFFAOYSA-N 425.573 5.743 30 10 IKEE CCCCCCCOc1ccc(C(NC(=O)CCCC)NC(=O)CCCC)cc1OC 100917117 RMHPCCULHLLTCS-UHFFFAOYSA-N 434.621 5.656 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] 101469159 FDWRDZLQJJYAIR-UHFFFAOYSA-N 449.640 6.115 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2cccs2)cc1C 169984212 HYYZSXKZXKNYKO-NRFANRHFSA-N 437.948 6.110 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(OCC)cc2)=C(N2CCC[C@H](C)C2)C1=O 169993756 QTFQPSCNJUKBSG-FQEVSTJZSA-N 426.601 5.258 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(Cl)c2)[C@@H]1c1cccnc1 170009016 UFCKYSGPAOCIDE-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccncc1 170019407 DFBSYIBRZUCKDP-FQEVSTJZSA-N 439.298 5.480 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2ccccc2)cc1 170052250 ZAMKAFDALMDYLE-HSZRJFAPSA-N 431.919 5.994 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2ccc(F)cc2)cc1 170061888 HXHZLPODNHMKFI-XMMPIXPASA-N 443.474 5.106 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C2CCCC2)c1 170121479 VQLFZPRDFHZANQ-FQEVSTJZSA-N 446.330 5.523 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccc(C)c2)cc1 170141725 RFXLLXNYGGFGBI-DEOSSOPVSA-N 427.500 5.567 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2C2CCCCC2)c1 170145511 KVYCKZGKZQAZOS-BXKMTCNYSA-N 431.532 5.229 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2cccnc2)cc1 170187814 XUEPVXWZBPKFKE-DEOSSOPVSA-N 442.515 5.270 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(Cl)ccc3OC)[C@@H]2c2ccncc2)cc1 170201007 DFXORFBUUARWMA-QFIPXVFZSA-N 448.906 5.089 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccncc2)cc1C(C)C 170212009 SMSVPCUSOZVRSJ-HSZRJFAPSA-N 434.536 5.043 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccc1F 170249696 BOAGDYCYZCCOQX-VWLOTQADSA-N 437.470 6.070 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2C)cc1Cl 170274067 LDRVYQKLLJDXIF-NRFANRHFSA-N 437.879 5.029 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OCC)c3)[C@@H]2c2ccco2)cc1 170279102 RERXLLMKCBBDFU-HSZRJFAPSA-N 447.487 5.250 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1Cc1ccco1 170316242 XXTQISKCGAPMOI-HXUWFJFHSA-N 437.517 5.215 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc(OCC(C)C)cc2)=C(O)C(=O)N1C1CCCC1 170319668 ZVVBIVHUDHWBOJ-OAQYLSRUSA-N 439.577 5.612 30 10 IKEE O=C(Nc1cccc(C(F)(F)F)c1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 170325988 LOIDDGOWGJHUKU-UHFFFAOYSA-N 444.253 5.320 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 170328855 FRYPQYYLXQYZEN-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE CC(C)c1ccc2nc(N3C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]3c3ccccn3)sc2c1 170479412 OICCIWDYMZIRGM-IBGZPJMESA-N 435.549 5.330 30 10 IKEE CCCCCCCCCCc1ccc(-c2ccc(OCCCCC[C@H](C)CC)cc2)cc1 204383912 FNLPUTXRCJATIC-HHHXNRCGSA-N 436.724 10.022 30 10 IKEE C=CCOc1ccc(/C=C2/SC(Nc3ccc(CC)cc3)=NC2=O)cc1Br 208527187 SAOLDZFRNIJFBY-CPNJWEJPSA-N 443.366 5.659 30 10 IKEE COc1ccc(/C=C2\SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1OC 252634596 WOWVYLDBBKOZML-GCNWNYGFSA-N 444.556 6.129 30 10 IKEE C[C@@]12CC[C@@H]3[C@@H](CC[C@@H]4CCCC[C@]43C)[C@@H]1CC/C2=N\N=C\C=C\c1ccc([N+](=O)[O-])cc1 253572269 PZDUXRAQOKZFJJ-PCGDSYETSA-N 447.623 7.468 30 10 IKEE CC(=NNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccc(OCc2ccccc2)cc1 254386851 HPAOCGFJUZYEFB-UHFFFAOYSA-N 444.516 6.133 30 10 IKEE C#C[C@@H]1O[C@H](C)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 396454162 OOSYYPHMRPRIRG-VUGKQVTMSA-N 442.555 5.163 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Br)c(Cl)c1F 407151392 IFPATLSFDSBDOI-PBHICJAKSA-N 449.792 5.752 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2cccc(C(F)(F)F)c2)cc1 526489306 QPBOZWZRQVUMIT-IBGZPJMESA-N 426.419 5.696 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2c(C)[nH]c3ccccc23)c1 526489328 QTUNYMFRRPUFCA-VWLOTQADSA-N 435.483 5.414 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)CCC3CCCCC3)C2)c1 586002682 RWMNYLYKXOIDDX-DEOSSOPVSA-N 439.644 5.606 30 10 IKEE C=CCCN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(CCCCCC)cc1 586180498 RPTXRSXPBAVWFT-UHFFFAOYSA-N 429.582 5.305 30 10 IKEE N#CCCCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 586217524 FWRQZSAOPAGQBC-UHFFFAOYSA-N 440.952 5.418 30 10 IKEE N#Cc1cccc(CN(c2cccc3ccccc23)S(=O)(=O)c2cccc(Cl)c2)c1 586221606 PXRAQGIXBVRWBP-UHFFFAOYSA-N 432.932 5.760 30 10 IKEE C=CCCN(c1cccc(OC(F)(F)F)c1)S(=O)(=O)c1cc(Cl)ccc1OC 586261340 YJVORUZAWZTHGE-UHFFFAOYSA-N 435.851 5.019 30 10 IKEE C=CCN(CC=C)C(=O)Nc1cccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 586673225 MLBDUGKDCWVUTF-UHFFFAOYSA-N 427.504 5.937 30 10 IKEE CCCCCCCCC[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 686790975 BRHXUSLUFWVVIM-HXUWFJFHSA-N 437.580 6.509 30 10 IKEE N#Cc1cc(NCc2cc(Cl)ccc2I)ccc1Br 690185313 RYOPOGZLNGHOHO-UHFFFAOYSA-N 447.501 5.191 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 698482789 GMDLXUNDTNBFCZ-KOSHJBKYSA-N 429.561 5.276 30 10 IKEE C=CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(Br)c(Br)s1 698898676 ALJJNHYLCYCPJR-JTQLQIEISA-N 436.169 5.261 30 10 IKEE Cc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)cc1Br 698967138 QRIXLYDCKYXSEM-GOSISDBHSA-N 435.749 6.417 30 10 IKEE CCCCCCCCCC[C@H](NC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 705483001 TUQHQYQKVXBVEF-ZKMPZPQNSA-N 448.692 6.604 30 10 IKEE C=CC[C@@H](C)SCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 715731797 ASECYJFRNOOAGJ-ZHRRBRCNSA-N 425.550 5.066 30 10 IKEE C=CC[C@H](C)[C@H](NCCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 715762580 RFNFCEXVGGHWLV-GMAHTHKFSA-N 429.649 5.126 30 10 IKEE Cc1ccc(C)c(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2cccc(O)c2Cl)c1 762444731 FIKMSCYEENYJGN-UHFFFAOYSA-O 436.944 5.145 30 10 IKEE CCC(C)=NNc1nc2cc(C)c(NC(=O)c3ccc(OC)c(OC)c3)c(C)c2s1 1081377931 AVOMUGOLOOSYIS-UHFFFAOYSA-N 426.542 5.380 30 10 IKEE Cc1cc(C=Nc2ccccc2Br)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 1083924707 XANBYLILRNBMMA-UHFFFAOYSA-N 431.717 5.959 30 10 IKEE O=C1C(=Nc2cccc(F)c2)c2ccccc2N1CN(Cc1ccccc1)Cc1ccccc1 1084434826 FWYWBMLBXHEXJJ-UHFFFAOYSA-N 449.529 5.953 30 10 IKEE Cc1ccc(-c2csc(NN=Cc3c(OCc4ccccc4)ccc4ccccc34)n2)cc1 1084583871 MIXRNNWMLLPHNX-UHFFFAOYSA-N 449.579 7.297 30 10 IKEE Cc1ccc(/C=C2/SC(=Nc3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 1088687229 HEIQFVSHJJSTBS-OMYHDSEFSA-N 439.367 7.110 30 10 IKEE COc1ccccc1-c1ccc(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)c(O)n1 1128254211 CKJSXADKSTZVJS-UHFFFAOYSA-N 437.455 5.379 30 10 IKEE CC(/C=C1\S/C(=N\N=C/c2ccccc2)N(Cc2ccco2)C1=O)=C\c1ccccc1 1554646243 VCKJKVIAIPWHTM-GIQCZITKSA-N 427.529 5.733 30 10 IKEE CC(C)(C)c1ccc(/C=C2\SC(=NN=Cc3ccccc3)N(Cc3ccco3)C2=O)cc1 1772758318 RGSJONOTLGJETO-HKVVCLDKSA-N 443.572 6.084 30 10 IKEE CCN1C(=O)/C(=C\c2c(Cl)cccc2Cl)SC1=Nc1ccc(C(=O)O)c(O)c1 1772763225 XLGKOPXQNRLUAS-WBXVYAGQSA-N 437.304 5.021 30 10 IKEE Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2/C=N\NC(=S)Nc2ccccc2)c(C)c1 1857808316 BIWIDONJKAVGMM-DICXZTSXSA-N 443.551 5.616 30 10 IKEE CCCCCCCCCCn1cc(OCc2cccc(C(=O)OC)c2)c(=O)cc1C(=O)O 1857891598 ZEVARVRKCPMJOS-UHFFFAOYSA-N 443.540 5.053 30 10 IKEE C[C@H](C1CC1)N(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)c(F)c1 1859974411 PMAPFECVHLKONF-SNVBAGLBSA-N 437.330 6.448 30 10 IKEE CCCCCCCCCCNC(=O)c1cc(CCc2ccccc2)n(-c2ccccn2)n1 1862317065 PWSXPGMCXWTCOQ-UHFFFAOYSA-N 432.612 5.923 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(O)c2)cc1 1862390244 YSQOOAPWSHTEDH-HSZRJFAPSA-N 431.488 5.106 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(F)cc1)c1ccc(F)cc1F 1862413644 HWZKQLJGTHDUDG-NRFANRHFSA-N 441.380 5.022 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862421206 FJUVHMIZCVJMLR-OYHNWAKOSA-N 443.490 5.521 30 10 IKEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc2ccccc12 1862449828 SZYZHBFODRJVFD-HSZRJFAPSA-N 448.950 5.023 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862501701 IMQYDFBNRSJDPS-VWLOTQADSA-N 449.566 6.388 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2cccc3ccccc23)cc1 1862531537 PUHVPBQSDGBKSZ-MHZLTWQESA-N 447.534 6.181 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2cccc(O)c2)cc1 1862531745 BDHIJYSGALXCNQ-VWLOTQADSA-N 441.527 5.350 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccccc2Cl)cc1 1862535483 CXRKNAHRXUXACA-QFIPXVFZSA-N 432.907 5.076 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccccc1C(=O)O 1862545611 DXEUUEMBRNQAPM-QHCPKHFHSA-N 447.531 5.032 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2C(=O)O)cc1 1862665024 WVTWCUVHSAMEGF-JOCHJYFZSA-N 433.504 5.029 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 1862675262 GCRANTLLDMGJAW-JOCHJYFZSA-N 441.930 6.170 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(Cl)c(Cl)c3)C2=O)cc1 1862910254 DUBYXDXEOHDBNH-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE CC(C)Oc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 1863356736 JELXVKPCMGAHKO-WZONZLPQSA-N 443.547 5.116 30 10 IKEE CC(C)[C@H]1c2ccccc2CCN1c1cc(Nc2ccc(C#N)cc2)nc(C(C)(C)C)n1 1868356238 WBZHEVYMMIPEGI-VWLOTQADSA-N 425.580 6.149 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3ccc([N+](=O)[O-])cc32)nc(-c2ccc(F)cc2)n1 1869271370 XQMUIHZQSFWUQH-UHFFFAOYSA-N 431.471 5.064 30 10 IKEE C=CCOc1cn(CCc2ccc(C)cc2)c(CNc2ccc(N3CCCC3)cc2)cc1=O 1870809514 HMELUWBGNNRBRC-UHFFFAOYSA-N 443.591 5.177 30 10 IKEE CCCCCCCOc1cn(CCCCC)c(CNc2ccc(N(C)C)cc2)cc1=O 1870837421 FNYVBYGQFMFPKN-UHFFFAOYSA-N 427.633 6.066 30 10 IKEE CCCCCCCOc1cn(CCCCCO)c(CNc2ccc3cc[nH]c3c2)cc1=O 1870838266 WJAGXNWYLDCPCL-UHFFFAOYSA-N 439.600 5.454 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(Cl)c(Cl)c1)C3=O)CN(CCCCCO)CO2 1871353145 HUNBAXBQSWWJNC-JMIUGGIZSA-N 448.346 5.233 30 10 IKEE Cc1cc(OC(=O)CCc2ccccc2)cc2c1C(=O)/C(=C/c1ccc(N(C)C)cc1)O2 1871385590 BKHDYIXYUHHKEU-JLPGSUDCSA-N 427.500 5.215 30 10 IKEE CC(C)Oc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)c1 1871388073 HJWWSIDDIOQARL-MYKKPKGFSA-N 444.439 5.038 30 10 IKEE Cc1cc(O)c(CN2CCC[C@@H](C)C2)c2c1C(=O)/C(=C/c1ccccc1Br)O2 1871396676 QUZDUBIRRWOKAQ-LPKQHDGYSA-N 442.353 5.311 30 10 IKEE C[C@@H]1CCCN(Cc2c(O)ccc3c2O/C(=C\c2cccc(Br)c2)C3=O)C1 1871396798 WAMPNXIBVDRPSQ-LPKQHDGYSA-N 428.326 5.003 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)Nc2ccc(F)cc2)cc2c1C(=O)/C(=C/c1ccccc1F)O2 1871400872 NNHQBOYSKXLALV-QZDMBBGESA-N 435.426 5.295 30 10 IKEE COc1ccccc1/C=C1\Oc2c(ccc(O[C@H](C)C(=O)Nc3ccccc3C)c2C)C1=O 1871410333 YIQCAXAAKFARGH-BEXDPUPVSA-N 443.499 5.334 30 10 IKEE Cc1cc(OCCOc2ccc(Cl)cc2)cc2c1C(=O)/C(=C/c1cccc(Cl)c1)O2 1871412795 FABMEWHEMLVYGJ-XKZIYDEJSA-N 441.310 6.376 30 10 IKEE Cc1c(O[C@H](C)C(=O)Nc2ccc(Cl)cc2)ccc2c1O/C(=C\c1ccncc1)C2=O 1871414880 RCPZCHAUCMBFTK-PJMHOZITSA-N 434.879 5.066 30 10 IKEE O=C1/C(=C/c2ccccc2)Oc2cc(OCc3c(Cl)ccc(Cl)c3Cl)ccc21 1871428261 RQTGRFUKXVEJMS-JMIUGGIZSA-N 431.702 6.842 30 10 IKEE Cc1c(OCc2nc(O)c3ccccc3n2)ccc2c1O/C(=C\c1ccc(Cl)cc1)C2=O 1871430156 AXGNLFRFMNQGOY-MTJSOVHGSA-N 444.874 5.492 30 10 IKEE Cc1oc2cc(OCc3ccccc3C#N)ccc2c(=O)c1-c1ccc(Br)cc1 1871436584 GOLPKPSWJVGYHE-UHFFFAOYSA-N 446.300 5.982 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cc(C)ccc4C)cc(C)c3C2=O)cc1 1871460680 ZOICLOCECDRUQX-QFEZKATASA-N 441.527 5.808 30 10 IKEE C=CCN([C@H](CCC)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1ccc(C)cc1 1871822647 UUJZRZXDXGAGFY-XMMPIXPASA-N 442.625 5.322 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccccc1)S(=O)(=O)c1cc(C)ccc1C 1872137534 XSHYVZPGRVREEW-JOCHJYFZSA-N 428.598 5.068 30 10 IKEE C=CCN([C@H](C(=O)Nc1cccc(C)c1C)[C@@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1872522392 YKZSFUDVTTVAQP-AOMKIAJQSA-N 449.016 5.187 30 10 IKEE CCCCCCCCCCNC(=O)Cc1nonc1OCCCCOc1ccccc1C 1872649249 QNCOKYAGHFIZFU-UHFFFAOYSA-N 445.604 5.415 30 10 IKEE Cc1cccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c1C 1872759284 JPDBZIRDFJBERR-HSZRJFAPSA-N 438.552 6.349 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@@H](C#N)C(=O)/C=C/c2ccc(C(C)C)cc2)n1 1872780749 LZOIWNNDASVHHL-NJTIBFSMSA-N 430.573 6.449 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)c3ccc(OCC(C)C)cc3)n2)cc1C 1872787801 RKAJPZLKDZWNEO-OAQYLSRUSA-N 434.561 5.960 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc2nc(Cc3ccccc3[N+](=O)[O-])[nH]c2c1 1872810808 DZTYAWOZNCFJHX-UHFFFAOYSA-N 436.556 5.932 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@@H](CC)CCCCC)=C(c2cccnc2)C1=O 1873078094 DLXKQJOHPUOIIW-QHCPKHFHSA-N 441.660 6.251 30 10 IKEE C=CCn1c(C(=O)Nc2ccccc2C(C)C)cc2c(NCc3ccncc3)ncnc21 1873618280 HYJPVPZYXWBASI-UHFFFAOYSA-N 426.524 5.000 30 10 IKEE Cc1c(CC(=O)Nc2cccc(C#N)c2)c(=O)oc2c(C)c3occ(-c4ccccc4)c3cc12 1873867766 XHLSBAAHVJPXGD-UHFFFAOYSA-N 448.478 5.876 30 10 IKEE Cc1ccc(OCCCc2nnc(SCc3cccc(C)c3)n2/N=C/c2ccc[nH]2)cc1 1874251457 DORMUHHYDWVENR-WPWMEQJKSA-N 445.592 5.409 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(COc2ccccc2Cl)nnc1SCC 1874267141 IEWAZLOHRVIHPO-OEAKJJBVSA-N 428.945 5.070 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2/N=C/c2ccc(OCCC)cc2)CC1 1874287519 JGICWHRCLIJXAH-LGUFXXKBSA-N 442.673 6.915 30 10 IKEE Cc1ccc(CSc2nnc(COc3cccc(C)c3C)n2/N=C/c2cccn2C)cc1 1874322378 OBRVTCMOHUWRCW-CVKSISIWSA-N 445.592 5.295 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2/N=C/c2ccccc2C)c1 1874357341 BRYQDPVCLZIOFI-OGLMXYFKSA-N 440.616 6.277 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccccc3Cl)n2/N=C/c2ccccc2C)c1 1874365811 WFHNWGAKOISTCF-JFLMPSFJSA-N 447.007 6.698 30 10 IKEE Fc1cccc(/C=N/n2c(CCc3cccs3)nnc2SCCc2ccccc2)c1 1874371441 ZFJRGPUYNSOUEB-KOEQRZSOSA-N 436.581 5.481 30 10 IKEE Cc1ccc(CSc2nnc([C@H](C)c3ccccc3)n2/N=C/c2ccc(O)cc2)cc1 1874392127 FGGHPQNUXSQNFZ-DZTFFZQKSA-N 428.561 5.618 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2[C@H](C)c2ccccc2)cc1 1874392714 SDUQXSZBJBNTDJ-AYQSFACRSA-N 442.588 5.921 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2[C@@H](C)c2ccccc2)c1 1874399447 POBSRLOVVXQRPC-FQNOVECQSA-N 447.007 6.566 30 10 IKEE CCOc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccc(C)cc2)cc1 1874405291 QLBOAMUBFJBHRS-OVVQPSECSA-N 448.636 6.283 30 10 IKEE C=CCSc1nnc(-c2ccccc2)n1/N=C/c1ccc(OCc2ccccc2C)cc1 1874428899 HEXVUDQLSLZCCS-OVVQPSECSA-N 440.572 5.993 30 10 IKEE CCCOC(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1c(Cl)cccc1Cl 1874430109 STJOURFFDGUYRY-FSJBWODESA-N 449.363 5.179 30 10 IKEE Cc1cccc(CSc2nnc([C@H]3CCCO3)n2/N=C/c2ccc(Cl)c(Cl)c2)c1 1874448246 XBKJCZGLQCZGST-QVHMZZSFSA-N 447.391 5.919 30 10 IKEE FC(F)(F)c1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(Cl)cc1 1874462008 HVICRHHYDDNBLL-RPPGKUMJSA-N 446.885 6.278 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(CC(C)C)nnc2SCc2ccc(Cl)cc2Cl)c1 1874492513 QKBFJPHYYBZHDI-BHGWPJFGSA-N 449.407 5.972 30 10 IKEE COc1cc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C2CC2)ccc1O 1874520973 UGWLYRBWXWVJGU-AUEPDCJTSA-N 449.363 5.351 30 10 IKEE Clc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C2CC2)c1 1874523426 PUCSSHRXDAKJBA-AUEPDCJTSA-N 437.783 6.290 30 10 IKEE Cc1cccc(COc2ccc(Br)cc2/C=C/C(=O)c2ccc(F)c(F)c2)c1 1874584926 ILCGZPXOGXYYLY-RMKNXTFCSA-N 443.287 6.511 30 10 IKEE CCCOC(=O)COc1c(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc(Cl)cc1OC 1874586597 VOCSYGSEALWOIR-VQHVLOKHSA-N 446.927 5.202 30 10 IKEE O=C(COc1cccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1)NCc1ccccc1 1874593336 DYZCUKZUXPMEFL-FMIVXFBMSA-N 440.326 5.585 30 10 IKEE O=C(/C=C/c1cccc(OCc2cccc3ccccc23)c1)c1ccc(Cl)cc1Cl 1874593472 LMTGTVOCWKDIMY-SDNWHVSQSA-N 433.334 7.622 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)c1ccc2c(c1)CCCC2 1874603864 IYIZTQFQFVRSTA-NTUHNPAUSA-N 437.366 7.347 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)c(Cl)c2)cc1 1874604255 CMNIQAMVHDGRLL-FERCGXDMSA-N 447.962 6.055 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Br)cc2)ccc1OCc1ccccc1F 1874608885 MNWFREHXGSMZKT-WUXMJOGZSA-N 441.296 6.072 30 10 IKEE COc1ccc(CC(=O)Oc2cc(/C=C/C(=O)c3ccc(OC)c(C)c3)ccc2OC)cc1 1874696319 RWGGZZBKJGUGJN-KPKJPENVSA-N 446.499 5.065 30 10 IKEE Cc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)c2)c(C)c1 1874698352 RTTYINBELHECJS-KPKJPENVSA-N 431.444 5.092 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)c1)c1cccc(Cl)c1 1874699054 BKVWQHFSUOZFJA-CXYUPCIPSA-N 437.322 6.599 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1OC(=O)c1cc(C)cc(C)c1 1874706443 ILDSIGIDTDBTBT-QPJJXVBHSA-N 444.483 5.199 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1OC(=O)c1ccc(F)cc1 1874712788 QTHRWJBTOVDPGR-LFYBBSHMSA-N 434.463 5.575 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2cccc(OC(=O)c3cccnc3)c2)cc1Cl 1874715987 WCAQRSWHTCKBGB-BQYQJAHWSA-N 428.271 5.512 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc(Br)c1O 1874719399 GZFXWRNGSGZTFN-AATRIKPKSA-N 425.706 5.420 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1cnccn1 1875082643 LIECLXKBUWQPIK-NTUHNPAUSA-N 436.467 5.268 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccco2)c(Br)c1)c1ccc2ccccc2c1 1875096620 WWTQUKWZKHEKRY-YRNVUSSQSA-N 447.284 6.311 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCSC)c([N+](=O)[O-])c2)cc1 1875106150 DVNXHKUESVYPGG-GXDHUFHOSA-N 441.549 5.882 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2Cl)cc1 1875139325 CRJPVEJCBUODBC-MDWZMJQESA-N 448.946 6.400 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(OC)ccc2OC)ccc1OC(=O)c1cccc(C)c1 1875147321 REHRVUBOQYHOSG-FMIVXFBMSA-N 446.499 5.526 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)c(OC)cc2OC)ccc1OC(=O)C(C)C 1875174213 FZRNJSDQJOYIKT-VQHVLOKHSA-N 432.900 5.213 30 10 IKEE CN(C)c1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(Cl)ccc3Cl)cc2)cc1 1875191499 OZOUUSWOQDHTLM-LHHJGKSTSA-N 440.326 6.175 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(F)c(Br)cc1F 1894937571 GATJAKICFDJORZ-SJORKVTESA-N 433.337 5.237 30 10 IKEE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccc(C)c1C#N 1901483582 PINIBBUCVIKJFE-DEOSSOPVSA-N 439.515 5.123 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 1922092774 WGFFHKYTVHPVGM-LIONHTAISA-N 442.644 5.553 30 10 IKEE CC1(C)C[C@H]([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2)N(C(=O)OC(C)(C)C)C1 1945908246 OWITXFAKPCAJDN-MOPGFXCFSA-N 429.561 5.356 30 10 IKEE C[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)CCN1Cc1ccccc1 1949367070 PADNQABCFULADU-CLOONOSVSA-N 439.987 6.028 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)C2=CCCCCCC2)C1 1997459302 SKVUZUNRWWLELF-AREMUKBSSA-N 427.585 5.680 30 10 IKEE CCCCCCCCCC[C@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)NC 2035443992 UZEIOKNRENLHPD-RUZDIDTESA-N 447.708 6.132 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Br)c(Cl)c1 2041573580 GDXNHEMCNPIEEB-DLBZAZTESA-N 429.786 5.060 30 10 IKEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(N(Cc2ccccc2)[C@H](C)c2cccs2)n1 2052616649 SKSBLFFATNPRSM-LJQANCHMSA-N 434.414 5.519 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)[C@H]2CC[C@@H]21 2057587257 VONGSPDVQJHEDC-AXHZCLLHSA-N 445.535 5.249 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C1(NC(=O)OC(C)(C)C)CC2(CCCC2)C1 2069595326 SJPJMSJDMPCEEV-QHCPKHFHSA-N 442.644 5.745 30 10 IKEE C#CCCCCC[C@H](NC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071259142 SRXQGMIJCTULTN-MHZLTWQESA-N 427.588 6.689 30 10 IKEE Cc1ccc([C@H](n2nc(C(C)(C)C)c(C#N)c2I)C2(C)CC2)c(O)c1 2079032173 YLYCKSTWIFDDCX-KRWDZBQOSA-N 449.336 5.060 30 10 IKEE Cc1nn([C@@H](c2ccc(C3CCC3)cc2)C2CCC2)c(I)c1C#N 2079896421 IPKRYVUWVDNIID-LJQANCHMSA-N 431.321 5.325 30 10 IKEE CC(C)[C@@H](c1ccc(C(F)(F)F)cc1)n1nc(C(C)(C)C)c(C=NO)c1Br 2079908034 NTXVLFVYEQOJKR-HNNXBMFYSA-N 446.311 6.015 30 10 IKEE C=CC1(C[C@@H](NCC)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCC1 2134729831 LADCXQZNIBJIJA-HHHXNRCGSA-N 441.615 7.242 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)cc(Br)cc1F 2159120552 IUHDRTZKIRKLKO-SJLPKXTDSA-N 445.348 5.075 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)COC2(CCCCC2)C1 2179044111 QLDXJZDYODALEJ-FQEVSTJZSA-N 435.362 5.576 30 10 IKEE CCCCCCCC(=O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229128445 CCDFRCCPXLWRJL-SFHVURJKSA-N 426.395 5.815 30 10 IKEE C=CCN(CC[C@H](NCCC)c1c(F)cc(F)cc1Br)C(=O)OC(C)(C)C 2233951785 ZNLDGQVGSATTCY-KRWDZBQOSA-N 447.364 5.581 30 10 IKEE Cc1csc(C(=O)N(Cc2ccccc2)CC2CCCC2)c1B1OC(C)(C)C(C)(C)O1 2255633377 ACBHEMMFYGWWHN-UHFFFAOYSA-N 439.430 5.188 30 10 IKEE Cc1cc(C(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)cc(C)c1B1OC(C)(C)C(C)(C)O1 2267107437 NTSQSYQHGWCZJB-FQEVSTJZSA-N 433.401 5.044 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)Nc2ccccc2OCc2ccccc2)s1 2267578388 IVLMTXBIZJQZCL-UHFFFAOYSA-N 449.381 5.187 30 10 IKEE O=C1NC(=Nc2ccc(F)cc2)SC1=Cc1ccc(Sc2ccc(Cl)cc2)cc1 2293983720 TUXAWWFWXXNLRB-UHFFFAOYSA-N 440.952 6.522 30 10 IKEE Cc1cc(C=C2SC(=Nc3ccc(F)cc3)NC2=O)c(C)n1-c1ccc(Cl)cc1 2293998996 PKOYJLPSDKGFEU-UHFFFAOYSA-N 425.916 5.778 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)CN(CC(C)C)C(=O)OC(C)(C)C 2296215739 DBDHWQWPNLEGKM-FQEVSTJZSA-N 437.422 5.062 30 10 IKEE O=C1ON=C(c2ccccc2)C1=Cc1ccc(-c2ccc(C(=O)OCc3ccccc3)cc2)o1 2297317640 JGZCTYDEHJOFBN-UHFFFAOYSA-N 449.462 5.648 30 10 IKEE CCOc1cc(C=C2C(=O)C(=O)c3ccccc32)cc(N=Nc2cccc([N+](=O)[O-])c2)c1O 2297320164 QUUUBLZRQSTVCG-UHFFFAOYSA-N 443.415 5.421 30 10 IKEE C[C@@]12CC[C@H]3[C@@H](CCC4=CC(=NNc5cccc(Cl)c5Cl)CC[C@@]43C)[C@@H]1CCC2=O 2297329294 HESAJDXBMHQLJH-SUSMOJJHSA-N 445.434 7.293 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1ccc(Cl)cc1 2297333170 YKPAGHFWHBMDOY-XMMPIXPASA-N 429.903 5.831 30 10 IKEE CCOC(=O)C1=C(Nc2cccc3ccccc23)SC(=Cc2cccc(OC)c2)C1=O 2297349193 NJQDWCYGUVJUHM-UHFFFAOYSA-N 431.513 5.392 30 10 IKEE COC(=O)c1ccc(C=C2Oc3cc(OCc4c(F)cccc4Cl)ccc3C2=O)cc1 2314438025 FJLAZNUJRQNAKN-UHFFFAOYSA-N 438.838 5.461 30 10 IKEE CCN1C(=O)C(=Cc2ccc(OCc3ccc(C)cc3)cc2)SC1=Nc1nc(C)cs1 2314544276 XOMOJBVNVXMYKE-UHFFFAOYSA-N 449.601 5.963 30 10 IKEE C=CCC1(C(=O)c2cc(Cl)cc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2315491287 MKMKDMQTJLSXIY-UHFFFAOYSA-N 432.717 5.238 30 10 IKEE CC#CCN(C[C@H](NCC)c1cc(Cl)cc(Br)c1)C(=O)OC(C)(C)C 2316100329 WPRGMPHXGMECAT-KRWDZBQOSA-N 429.786 5.014 30 10 IKEE Cc1cccc(CSc2nncn2N=Cc2ccc(OCc3ccccc3Cl)cc2)c1 2321250937 AYCKAOCKSSCORV-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE Cc1cc(OCc2ccc(Cl)cc2Cl)cc2c1C(=O)C(=Cc1ccc(F)cc1)O2 2321779943 YATIXVFIPGYBPY-UHFFFAOYSA-N 429.274 6.636 30 10 IKEE Cc1ccc(C)c(CN2COc3ccc4c(c3C2)OC(=Cc2ccc(Cl)cc2)C4=O)c1 2322170726 BTUIWYAILRYCQX-UHFFFAOYSA-N 431.919 5.925 30 10 IKEE Cc1ccc(COc2ccc(Cl)cc2C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1 2322305660 FFCSGMMJGPPNDQ-UHFFFAOYSA-N 438.954 7.791 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc3c(c2)OCO3)c1OCc1ccc(F)cc1 2322698899 WEILQCUUDOORLV-UHFFFAOYSA-N 440.854 5.692 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C)c(C)c2)c1OCC(=O)Nc1cccc(C)c1C 2322901011 CVXJOOVKDMCPND-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE Cc1c(OC(=O)COc2ccccc2)ccc2c1OC(=Cc1cn(C)c3ccccc13)C2=O 2322948511 PQUNNWIREXYPTR-UHFFFAOYSA-N 439.467 5.087 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1 2323511692 FWSFPPCCCWUDPD-UHFFFAOYSA-N 440.326 6.215 30 10 IKEE CC(C)Oc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)c1 2323808047 UVZZEWJRWISCTR-UHFFFAOYSA-N 434.875 5.963 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OCC(=O)NCc1ccccc1 2324172861 APXXXDAWUAHMSZ-UHFFFAOYSA-N 443.543 5.410 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OCc3ccccc3Cl)cc2)cc1C(C)C 2324261917 VDXALMBSHDQYQW-UHFFFAOYSA-N 434.963 7.256 30 10 IKEE Cc1c(O[C@H](C)C(=O)Nc2ccccc2)ccc2c1OC(=Cc1ccc(C(C)C)cc1)C2=O 2324405710 OBLOLHRVUQMTDP-LJQANCHMSA-N 441.527 6.141 30 10 IKEE N#C[C@H](C(=O)C=Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ccccc2Cl)cs1 2324425892 CWQKFVSOSADGCE-CQSZACIVSA-N 433.747 6.660 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc(OCCCCOc3ccccc3C)c2C)C1=O 2324599040 JMDYKFOSGPLXAL-UHFFFAOYSA-N 444.527 6.166 30 10 IKEE Cc1c(OCc2cccc3ccccc23)ccc2c1OC(=Cc1ccc3c(c1)OCO3)C2=O 2325272400 JEQFKUXKTSAABD-UHFFFAOYSA-N 436.463 6.072 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccccc2[N+](=O)[O-])c1 2325471333 GAMLSYHTWRNRIP-UHFFFAOYSA-N 443.532 5.260 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1Cl)C2=O 2325493104 KEHXQHAOPDWXRN-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1c(F)cccc1Cl 2325642746 UCUGWYWZRJLERZ-UHFFFAOYSA-N 429.735 5.860 30 10 IKEE CCN(CC)CCOc1cc(C)c2c(c1)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2325703847 YPHSHNHRGITVCZ-UHFFFAOYSA-N 427.544 5.999 30 10 IKEE O=C(Oc1cccc(C=CC(=O)c2ccc(F)cc2F)c1)c1ccc(-n2cccc2)cc1 2325726129 PKIIAZSRUCWJAE-UHFFFAOYSA-N 429.422 5.871 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2cccc(OC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)c2)cc1 2325750797 LRYMQEKKUUJFLJ-RPBOFIJWSA-N 444.958 7.069 30 10 IKEE COc1ccc(C(=O)Oc2cccc(C=CC(=O)c3cc(C(C)(C)C)ccc3OC)c2)cc1 2325752475 CFFMXTWUTVDFFX-UHFFFAOYSA-N 444.527 6.117 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC(=O)c2cc(C)cc(C)c2)c1 2325752795 NTLIZMSQSKABPB-UHFFFAOYSA-N 442.555 6.725 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1OC(=O)c1ccccc1C 2325757236 QQWSULSQYPWPKI-UHFFFAOYSA-N 430.500 5.744 30 10 IKEE CSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1ccc(C(C)(C)C)cc1 2325911044 LFZPHTYJTWBXNS-UHFFFAOYSA-N 449.407 6.066 30 10 IKEE CCOc1ccccc1C=Nn1c(CC)nnc1SCc1ccc(Cl)c(Cl)c1 2326495296 FXBCSDBMNBEZHT-UHFFFAOYSA-N 435.380 5.721 30 10 IKEE CCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1cn(C)c2ccccc12 2327739350 WNORYBZTONLJBU-UHFFFAOYSA-N 425.561 5.508 30 10 IKEE CCSc1nnc(COc2ccc(C)cc2C)n1N=Cc1ccc(Cl)c(Cl)c1 2328893382 AZCFDEIQGZHICS-UHFFFAOYSA-N 435.380 5.775 30 10 IKEE CCCSc1nnc(CCc2ccccc2C)n1N=Cc1ccc(OCC)c(OC)c1 2329500370 IKNWYJVMQVQRKU-UHFFFAOYSA-N 438.597 5.163 30 10 IKEE COc1cccc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccc(C)cc2)c1 2330221695 OSPHKZAHITWRAT-UHFFFAOYSA-N 434.609 5.892 30 10 IKEE CCCCCCCCNC(=O)[C@H](NC(=O)C=Cc1ccc(Cl)cc1)c1ccccc1 2330361619 DHVVPDIEGUOVAN-XMMPIXPASA-N 426.988 5.687 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2ccccc2C)nnc1-c1cccs1 2330538166 AXUOSCGFFHSZLZ-UHFFFAOYSA-N 446.601 6.054 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC(C)C)NC(=O)C=Cc1ccc([N+](=O)[O-])cc1 2330584346 WQBNIXDBTIKMMZ-HSZRJFAPSA-N 445.604 5.396 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1ccccc1OC 2330675206 MFJLOSAHDOBAQC-UHFFFAOYSA-N 438.479 5.972 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)Cc1ccccc1 2330694286 LCAPPPOTFZAQTN-UHFFFAOYSA-N 440.539 6.008 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3C)c(OC)c2)cc1 2330772763 NXOZYKUWPPMWIT-UHFFFAOYSA-N 428.528 6.000 30 10 IKEE CN(C)c1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2cccc(Cl)c2)cc1 2330873428 STVWHMZBLSVOSJ-UHFFFAOYSA-N 442.032 5.761 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccccc3Cl)cc2)cc1 2330910412 ADDLJORNNAMSNJ-UHFFFAOYSA-N 434.919 6.173 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)ccc1OC(=O)Cc1ccc(Cl)cc1 2330949101 KSTDUIZFIVJUEO-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3Cl)c(Cl)c2)cc1 2330961179 ZLMOKBDPVPRXQH-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE Oc1ccc(Cl)cc1C=Nn1c(SCc2ccc(F)cc2)nnc1C1CCCC1 2331032877 USZIFPRTQPQJRW-UHFFFAOYSA-N 430.936 5.608 30 10 IKEE Cc1cccc(CSc2nnc(C(F)(F)F)n2N=Cc2ccccc2OC(C)C)c1 2331122659 PPHVJMRTTKKGKL-UHFFFAOYSA-N 434.487 5.567 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC(=O)Cc1ccc(C)c(C)c1 2331152811 XCZZQFJBWLFQPX-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)c([N+](=O)[O-])c1)c1ccccc1 2331174148 ZOTRWDIECRTBBP-VQTJNVASSA-N 447.874 5.853 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)c1ccc(F)cc1 2331216442 TUFIZAMJGZTAHQ-UHFFFAOYSA-N 434.463 5.575 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2Cl)cc1 2331219053 GWLOAFXHICYYPQ-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc(Br)c1OC(=O)C1CCC1 2331286783 JXRBOBCTVNHHFZ-UHFFFAOYSA-N 443.337 5.758 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3)c(Br)c2)ccc1F 2331337790 ABXMTTLJMZORIA-UHFFFAOYSA-N 439.280 6.012 30 10 IKEE CCCCc1nnc(SCCC)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2331343833 WHVAVZRAOHJDCI-UHFFFAOYSA-N 443.016 6.237 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Br)c1OC(=O)C1CC1 2331345967 NMVGXOFEBQDETG-UHFFFAOYSA-N 447.300 5.507 30 10 IKEE CSc1nnc(C(C)(C)C)n1N=Cc1c(OCc2ccccc2)ccc2ccccc12 2331356098 NJTWOARDOINSOI-UHFFFAOYSA-N 430.577 5.912 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2cc(OC)ccc2OC)cc1OCC 2331392362 WCRSLISVLDUOQF-UHFFFAOYSA-N 440.536 5.874 30 10 IKEE CSCCCC(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1Cl 2331400218 WVEAOFGEKURTPF-UHFFFAOYSA-N 432.925 5.056 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1cccc(F)c1 2331424669 DRULFDAKYHYZIX-UHFFFAOYSA-N 446.518 6.637 30 10 IKEE C=C(C)CSc1nnc(C2CCC2)n1N=Cc1ccc(OCCCC)c(OCC)c1 2331519628 ISUBHOOYNZHTRU-UHFFFAOYSA-N 428.602 5.674 30 10 IKEE COCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(Cl)cc1Cl 2331577659 VHPGXJJMHHKYKE-UHFFFAOYSA-N 425.316 5.045 30 10 IKEE CCCC(=O)Oc1c(OCC)cc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1[N+](=O)[O-] 2331624839 DEKITFHFNNJBDF-UHFFFAOYSA-N 441.480 5.221 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C)cc(C)c3OC)cc2OC)c1 2331673500 WUJFUXXXSYANGM-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE Cc1ccccc1NC(=O)CSc1nnc(C(C)C)n1N=Cc1ccc(C(C)(C)C)cc1 2331687481 QEASMLMCJDOGPE-UHFFFAOYSA-N 449.624 5.620 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)ccc1OC(=O)C1CCC1 2331752120 ZEMLRRUNYGKUGZ-UHFFFAOYSA-N 428.912 5.657 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)CC3CCCCC3)c(OC)c2)cc1C 2331854664 NBDYPZKJOXHMFK-UHFFFAOYSA-N 436.548 6.093 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C)c(OC)cc3C)cc2OC)cc1 2331854821 ZDPFMAARQCCONY-UHFFFAOYSA-N 444.527 5.998 30 10 IKEE CCCCC(=O)Oc1c(OC)cc(C=CC(=O)c2ccc(OC)c3ccccc23)cc1OC 2331866689 SEBCOIDKGPXFAW-UHFFFAOYSA-N 448.515 5.857 30 10 IKEE CC[C@H](CCCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339596787 LWZYALHJMCGVPB-JUWJPQTCSA-N 446.397 5.189 30 10 IKEE CCCN[C@@H](C#C[C@H]1CC1(C)C)c1cc(I)ccc1Br 2365070153 HXSKECYVXGNDDU-LRDDRELGSA-N 446.170 5.144 30 10 IKEE C=C(C)COc1cccc2c1N[C@H](c1ccc3c(c1)c1ccccc1n3CC)[C@H]1CC=C[C@H]21 13642967 RXMVELVCNTVQSB-HKLKAILGSA-N 434.583 7.596 30 10 IKEE CCc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc3ccccc23)cc1 21229429 VLVLAOGUZNCACB-IPBJYNAHSA-N 444.578 7.382 30 10 IKEE COc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccccc1Cl)C2 21235038 BKEBLJRBVZHDQU-QMTYFTJSSA-N 430.935 6.328 30 10 IKEE CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2C(F)(F)F)cc1 21258525 OCGNICZWCCUQJU-QFBILLFUSA-N 441.493 6.007 30 10 IKEE COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(F)cc2)c1 21259616 YTQILNWGOWTVSW-XGCWNURASA-N 444.506 5.822 30 10 IKEE Cc1ccc2oc(=O)cc(CSc3nc4c(c(C(F)(F)F)c3C#N)CCCC4)c2c1 27751056 XRJVLBNNQMBUBJ-UHFFFAOYSA-N 430.451 5.558 30 10 IKEE C=CCOc1c(Cl)cc(/C=C2\C(=O)N(c3cc(C)cc(C)c3)C(=O)N=C2O)cc1OC 33395298 LGHNQXNFZYRXNX-YVLHZVERSA-N 440.883 5.037 30 10 IKEE C=CCC[C@@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1 36342096 KLUNIVGFUBSWIU-HSZRJFAPSA-N 437.559 5.651 30 10 IKEE Cc1cccc(/N=C2/S/C(=C/c3ccc(-c4c(Cl)cccc4Cl)o3)C(=O)N2C)n1 39863297 YEACIEVOFWXNJK-UPKYMQCOSA-N 444.343 6.191 30 10 IKEE COc1ccc(/C=C2\S/C(=N/c3cccc(C(=O)O)c3)N(C3CCCCC3)C2=O)cc1 39866809 ZJXBPXHWRZWRCP-YCBMQGOFSA-N 436.533 5.330 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(OCC)cc1 40079395 IEWSUPIWINRLQH-HSZRJFAPSA-N 437.536 5.251 30 10 IKEE Cc1cc(Br)c(/N=C2/N[C@]3(CCC[C@H](C)C3)CS2)c(Br)c1 53098460 WLRKAYRSGWFSBE-QFYYESIMSA-N 432.225 5.793 30 10 IKEE C=C(C)COc1cccc(NCC(=O)Nc2ccc(C(=O)N(CC)c3ccccc3)cc2)c1 66063126 YPXPMTDUEPTPMO-UHFFFAOYSA-N 443.547 5.359 30 10 IKEE CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CSCc1cccc(C#N)c1 96549418 SAGYJEWSRKXIPF-UHFFFAOYSA-N 436.558 5.335 30 10 IKEE CCCCCCCOc1ccc(NC(=O)c2cc(Br)ccc2OCCC)cc1 100191533 GTCDWLQVTOZVFU-UHFFFAOYSA-N 448.401 6.839 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 100326725 LRNLPYJTMKBGSD-RQTOMXEWSA-N 440.425 7.625 30 10 IKEE CCOc1ccc([C@@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2c2cccc(Cl)c2)cc1 102575417 YJEAIVDFNQKTTI-RKKARLDVSA-N 433.891 5.365 30 10 IKEE COc1ccc(OC)c(/N=C2/SCCN2C(=O)C(c2ccccc2)c2ccccc2)c1 105085328 XKBQTJFFZKWTAY-OCEACIFDSA-N 432.545 5.099 30 10 IKEE N#CC1(NC(=O)CNc2ccccc2Oc2ncc(Cl)cc2Cl)CCCCCC1 108368034 TZVNOGJIXQWDAH-UHFFFAOYSA-N 433.339 5.325 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2Cc2cccs2)cc1 169921239 JOOJPWGMNSLTAY-JOCHJYFZSA-N 433.529 5.152 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccc(OC)c2)cc1 169934592 MOPJUKJFNKPZSF-DEOSSOPVSA-N 427.500 5.349 30 10 IKEE COc1cc(/C=N\Nc2nc(C)c(C)s2)cc([N+](=O)[O-])c1OCc1cc(C)ccc1C 169941246 DBGTZMFHUDMJTA-KSEXSDGBSA-N 440.525 5.319 30 10 IKEE CCOC(=O)c1sc(N/N=C\c2ccc(OCc3ccccc3)c(Cl)c2)nc1C 169942713 NOSACHHIORVYKS-FMCGGJTJSA-N 429.929 5.307 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cccc(C)c1 169970539 RFMBFAAMPRJDRA-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2cccs2)cc1 169984912 VACZGJHCDGOXQC-QFIPXVFZSA-N 449.528 5.247 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2cccs2)c(C)c1 169985652 LKDHVHAWGNXKOX-HXUWFJFHSA-N 439.920 5.501 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 170057855 WSVOMXOICYAWCD-HXUWFJFHSA-N 425.818 5.401 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccc(Cl)cc1)c1cccc(Cl)c1 170058785 FGZFLYXRAGGGDN-HXUWFJFHSA-N 439.298 5.167 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2cccc(O)c2)cc1 170079802 VBVVJYYCWMVCGS-QFIPXVFZSA-N 435.426 5.016 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccc(C)o2)cc1 170102133 OEOUAECZCYUCGG-NRFANRHFSA-N 437.879 5.029 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccc(C)c2)c(C)c1 170142679 WNQSLSUWFFRDMB-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccc(C(C)(C)C)cc1 170150283 YGZXBSGIUAOQKB-QMHKHESXSA-N 433.548 5.296 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccncc2)c1 170200644 NJOPJRCQQMXKOH-JOCHJYFZSA-N 448.906 5.225 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@@H]2c2ccncc2)cc1 170201225 HMWJFOVNRXTIFK-XMMPIXPASA-N 442.515 5.216 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccncc2)c1 170202567 LYLASNVYOKRPDR-DEOSSOPVSA-N 442.515 5.269 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1cccc(OCC)c1 170217654 COUJJGXVHXGXKD-QHCPKHFHSA-N 437.536 5.251 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1)c1ccc2c(c1)CCCO2 170238693 PWDBMQOYQXMQAK-QHCPKHFHSA-N 447.437 5.073 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2ccc(F)cc2)cc1 170243533 XMMKYUNGYWAPPV-QFIPXVFZSA-N 425.500 5.383 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(O)c1 170263487 TYEGCSOMZXSYPX-IBGZPJMESA-N 434.319 5.468 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2Cc2ccco2)cc1 170266385 NQHZXGFIVBAXTC-RUZDIDTESA-N 437.495 5.774 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)C)cc2)[C@@H]1c1ccco1 170281058 JPBXWPXOKKAPJS-HSZRJFAPSA-N 431.488 5.503 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccco2)cc1C(C)C 170282967 GWAUYSZSKUJJIS-HSZRJFAPSA-N 431.488 5.503 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(Cl)ccc3OC)[C@H]2c2ccco2)cc1 170283165 DSRGGQHYRCEDFU-OAQYLSRUSA-N 437.879 5.287 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccco2)cc1 170287592 JNLBZJWSXQKLBJ-IBGZPJMESA-N 438.277 5.133 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(C)o2)cc1C(C)C 170299666 HZJMVBAPYFXERJ-QHCPKHFHSA-N 449.478 5.642 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)c(C)c2)[C@@H]1c1ccc(C)o1 170310056 LWHIZFFMTDUQKN-QFIPXVFZSA-N 425.525 5.454 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(C)o2)cc1 170310931 MXEPJGCCBVDALK-QHCPKHFHSA-N 437.536 5.678 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2c(C)[nH]c3ccccc23)cc1C 170404136 LRCCKTYGTRLGKY-HSZRJFAPSA-N 442.540 5.938 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2c(C)[nH]c3ccccc23)cc1C 170404161 NYBYMZVYFQANKA-RUZDIDTESA-N 436.511 5.876 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1c[nH]c2ccccc12)c1ccccc1 170423288 NQTJFGZWVYPNNR-XMMPIXPASA-N 440.474 5.128 30 10 IKEE CC(C)Oc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]2c2ccc(N(C)C)cc2)cc1 170445367 QQXYQSUKVHMQTC-JOCHJYFZSA-N 436.552 5.055 30 10 IKEE CN(C)c1ccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(C(F)(F)F)cc2)cc1 170445718 JEUDTSJBFYJJMJ-LJQANCHMSA-N 446.469 5.287 30 10 IKEE Cc1ccc(-c2cc(Nc3oc(-c4ccccc4)c(-c4ccccc4)c3C#N)nc(C)n2)cc1 170542368 MOYZSKICHPJIJH-UHFFFAOYSA-N 442.522 7.303 30 10 IKEE Cc1nc(Nc2cccc(C(=O)Nc3sc(C)c(C)c3C#N)c2)cc(-c2ccccc2)n1 170584433 BHHQOGBXEOPVOG-UHFFFAOYSA-N 439.544 5.998 30 10 IKEE CCCCCCCCCCCCOc1ccc(S(=O)(=O)Nc2cc(O)ccc2O)cc1 196333362 LORVTBCASSLCIP-UHFFFAOYSA-N 449.613 6.198 30 10 IKEE CC(C)c1ccc(NC(=O)CSCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 244385800 YDUSZLRKDGIKEZ-HNNXBMFYSA-N 441.622 5.178 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(C)cc(C)cc1C)N2 251021849 OQSPCMZGJHCODQ-QSEAXJEQSA-N 448.632 5.801 30 10 IKEE O=C1/C(=C\c2ccc(-c3ccc(F)cc3)o2)SC(=Nc2ccccc2)N1c1ccccc1 254490723 DWAQYJZMXFBFCW-KISRHMMLSA-N 440.499 6.894 30 10 IKEE COc1ccc(N=c2scc(-c3ccc4c(c3)OCCO4)n2N=C2CCCCC2)cc1 254758899 JKQUGSPSRAPUBU-UHFFFAOYSA-N 435.549 5.397 30 10 IKEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCc2cc3ccccc3nc2O)cc1 502925906 NUDYYFXQNUJOAM-UHFFFAOYSA-N 439.471 5.184 30 10 IKEE CCOc1ccc([C@H]2C(c3ccc(OC)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526486820 POIZTMLHEZWVBJ-DEOSSOPVSA-N 426.472 5.023 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1c(O)ccc2ccccc12 526811153 COFNWVNQILPYQK-YSMPRRRNSA-N 430.577 5.881 30 10 IKEE CC1(C)[C@H]2CC[C@@]1(C)C(=NN=C1NC(=O)/C(=C/c3cccc(Br)c3)S1)C2 575182395 XGBYPXJUPDRINW-QBQSHFJXSA-N 432.387 5.211 30 10 IKEE COc1cc(C)c(C)cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)c1ccc(C)c(C)c1 586218501 HETJEKLFKIMMTN-UHFFFAOYSA-N 434.561 5.196 30 10 IKEE C=CCN(CC=C)C(=O)Nc1ccc(C(=O)Nc2ccc(C)cc2Br)cc1 586662277 NNNOAILKGBBOBW-UHFFFAOYSA-N 428.330 5.216 30 10 IKEE C#CCCCCC[C@H](NCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 686712117 QJLCMTFUGPHMOQ-DEOSSOPVSA-N 441.660 5.108 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@]1(C#N)CCc2cc(Br)ccc21 698822991 DQDWLLCACOOUNS-FQEVSTJZSA-N 433.371 5.613 30 10 IKEE C[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 698882560 DYAXSVONSCECLM-QMHKHESXSA-N 449.979 5.763 30 10 IKEE Brc1ccc(Br)c(N=C2NC3(CCSCC3)CCS2)c1 719673668 FMOBRECXXCUTKS-UHFFFAOYSA-N 436.238 5.191 30 10 IKEE Cc1cc2c(cc1/C=C1\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C1=O)OCO2 1084638177 NYAFLDVDPMCYRV-QAQAEODYSA-N 442.540 5.396 30 10 IKEE CCCCCCCCCCCCOC(=O)/C(=C\c1ccc(Cl)cc1)n1nnnc1C 1615216936 JWGPLJJTUFNRLN-RELWKKBWSA-N 432.996 6.097 30 10 IKEE Cc1ccc(S(=O)(=O)Nc2cc(C)cc(/N=C/c3cc(Cl)cc(Cl)c3O)c2)cc1 1615951558 QLFIJOYMCPEGJB-WYMPLXKRSA-N 449.359 5.867 30 10 IKEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2[C@@H]2C[C@H]2CF)C1 1705916542 PXMNYITVNSOCIT-RAUXBKROSA-N 448.970 5.000 30 10 IKEE C/C(=C1/SC(=Nc2ccncc2Cl)N(C2CCCCC2)C1=O)c1ccc(C)c(C)c1 1772734033 CGSIBTYXPWWBQT-NHEADELISA-N 440.012 6.679 30 10 IKEE O=C(O)c1cccc(N=C2S/C(=C/C=C/c3ccccc3)C(=O)N2c2ccccc2)c1 1772734388 FCXMELUTHQPTBA-JOEYLZBXSA-N 426.497 5.750 30 10 IKEE CCc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=S)Nc1ccccc1)CCC2 1772750018 JBKLSAYXYMWOFG-UHFFFAOYSA-N 446.576 5.430 30 10 IKEE O=C(ON1C(=O)c2ccccc2C1=O)c1c(Cl)cccc1Sc1ccc(Cl)cc1 1772792299 KIBYLENWEJGEIO-UHFFFAOYSA-N 444.295 5.513 30 10 IKEE N#Cc1ccccc1NC(=O)Oc1cccc2c(NC(=O)c3ccnc(Cl)c3)cccc12 1858779467 JILRULLRKJEGMN-UHFFFAOYSA-N 442.862 5.623 30 10 IKEE CC(C)(C)c1csc(NC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1C#N 1860749813 ALTUSZPZCVQBIR-UHFFFAOYSA-N 430.744 5.455 30 10 IKEE N#Cc1c(O)nc(SCCOc2cccc3ccccc23)nc1-c1ccccc1Cl 1860824961 FPBHJHBYCPTALE-UHFFFAOYSA-N 433.920 5.699 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)c1cccc(Br)c1 1861335476 BKGMBMKJHXCPIQ-HXUWFJFHSA-N 437.422 5.311 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)c1ccc(C(C)(C)C)cc1 1861814383 VPZWBNHATLJRRR-HSZRJFAPSA-N 448.717 6.093 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccccc1)c1ccc(Cl)cc1Cl 1862379602 GHHPNHYKSCBPFP-FQEVSTJZSA-N 439.298 5.167 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(Cl)cc2)[C@H]1c1ccccc1)c1ccc(F)cc1F 1862412610 IVZOKUKEZFTLGW-NRFANRHFSA-N 439.845 5.397 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(Br)cc1 1862453331 XKALPNPEAANAFG-QGZVFWFLSA-N 434.717 5.091 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(F)cc1F 1862463857 LQVKZJWAPSBXNK-IBGZPJMESA-N 439.380 5.007 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1cccc(C)c1 1862465942 XUZMRJMZVWMFBU-AUUYWEPGSA-N 428.326 5.134 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccc(F)c1 1862489214 RULSRUHELYRFJZ-DEOSSOPVSA-N 445.490 5.230 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2cccc(O)c2)cc1 1862490023 MCMUPYCDDGZITI-XMMPIXPASA-N 427.500 5.096 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2c(Cl)cccc2Cl)c1 1862498298 FJAQQYSGEDBUNB-FQEVSTJZSA-N 432.347 5.845 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2cccc(F)c2)cc1 1862661394 BADHUGVSNAUBLV-RUZDIDTESA-N 447.550 6.418 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2cccc(Cl)c2)cc1 1862662481 XFFXVCWNOPKSKN-XMMPIXPASA-N 445.946 6.242 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 1862666220 YWMGOGQSJJAZIM-JOCHJYFZSA-N 446.459 5.090 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2cccc(Br)c2)cc1 1862669783 FJKWGWSYJFDQET-HXUWFJFHSA-N 442.353 5.559 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(O)c2)cc1 1862674311 LVMOISQRLBDPPA-VOIUYBSRSA-N 445.490 5.433 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@@H]1c1cccc(Cl)c1)c1ccc(F)cc1 1862675390 JKUOCZKXNRDEFK-JOCHJYFZSA-N 441.930 6.170 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccc(O)cc2)c1 1862714827 HRSMSAMPMCKQPR-SANMLTNESA-N 449.506 5.632 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)=C(O)C(=O)N1[C@@H](C)c1ccccc1 1862737574 XVIYATZFJIUDQR-GAJHUEQPSA-N 442.471 5.243 30 10 IKEE N#Cc1ccc(N2C(=O)C(Nc3ccc(C(F)(F)F)cc3)=C(c3cccs3)C2=O)cc1 1863110452 PDFZNCIJLNSQTH-UHFFFAOYSA-N 439.418 5.035 30 10 IKEE N#Cc1cccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(Cc3cccc(Cl)c3)C2=O)c1 1863173463 RIVKEUVCJPYTHZ-UHFFFAOYSA-N 448.309 5.257 30 10 IKEE C=CCN1C(=O)C(Nc2cc(Cl)cc(Cl)c2)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863279315 CZIBTRIOWLNBON-UHFFFAOYSA-N 442.129 5.678 30 10 IKEE O=C(NC[C@H](c1ccc(F)cc1)N1CCCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1865966285 LCGQJRQNEICQEG-GOSISDBHSA-N 448.382 5.430 30 10 IKEE C[C@@H](CC(=O)N[C@H](C(=O)Nc1ccc(C#N)cc1)c1ccccc1)c1ccc(Cl)cc1 1866716968 ZCUWZHXKXQUTQE-XDHUDOTRSA-N 431.923 5.201 30 10 IKEE Cc1nc(Nc2ccc(C#N)cc2)cc(N2CCc3ccccc3[C@H]2CCc2ccccc2)n1 1868496522 AWKGYEJWYDGPKV-HHHXNRCGSA-N 445.570 6.137 30 10 IKEE CCCCCCCCCCn1cc(OCCCCCC)c(=O)cc1CSC(C)(C)C 1870187361 LDNIPWONTWTWJU-UHFFFAOYSA-N 437.734 7.980 30 10 IKEE C#CCOc1cn(CCC2=CCCCC2)c(CN(CCCC)CCCCCC)cc1=O 1870561138 ASDVBSRMJHYLPE-UHFFFAOYSA-N 426.645 5.933 30 10 IKEE CCCCCCCOc1cn(CCCC)c(CNc2ccc(OC)c(OC)c2)cc1=O 1870831705 HRHOXNWBRKRTDC-UHFFFAOYSA-N 430.589 5.627 30 10 IKEE CCCCCCCOc1cn(CC(C)C)c(CNc2ccc(Cl)c([N+](=O)[O-])c2)cc1=O 1870831735 IVQGZIHEOGYFTB-UHFFFAOYSA-N 449.979 6.027 30 10 IKEE CCCCCCCCn1cc(OCCCCCCC)c(=O)cc1CNc1ccc(C)cc1 1870836663 PGULNSJYHREFFE-UHFFFAOYSA-N 440.672 7.479 30 10 IKEE C=CCn1cc(OCC(=O)OCCCCC)c(=O)cc1CNc1cccc(C(C)(C)C)c1 1870844624 PXSGFHPIUWWNAO-UHFFFAOYSA-N 440.584 5.056 30 10 IKEE C=CCn1cc(OCc2ccc(C(C)C)cc2)c(=O)cc1CNc1ccc2cc[nH]c2c1 1870897898 UBUMHRYUULTMKT-UHFFFAOYSA-N 427.548 5.830 30 10 IKEE CCCCCCCCn1cc(OCCCCC)c(=O)cc1CNc1cccc(OC)c1 1871129955 AIIGGDIBEQEHKG-UHFFFAOYSA-N 428.617 6.399 30 10 IKEE CCOc1ccc(CC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871375444 LUHCHXVPBVQDBF-OYKKKHCWSA-N 428.484 5.466 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc3C2=O)cc1 1871382651 AKDWMJIMDXHAFK-YSMPRRRNSA-N 442.511 6.119 30 10 IKEE Cc1c(OC(=O)/C=C/c2ccccc2)ccc2c1O/C(=C\c1c(F)cccc1Cl)C2=O 1871385444 SPEHNPWXRNHLAG-HHLUSPNUSA-N 434.850 6.023 30 10 IKEE CCCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccs2)C3=O)cc1 1871390548 BKWPSXVRSPMWNX-STZFKDTASA-N 448.496 5.597 30 10 IKEE CN(Cc1c(O)ccc2c1O/C(=C\c1ccc(Cl)cc1Cl)C2=O)C1CCCCC1 1871393422 LPMGLKDSFBBUGV-NHDPSOOVSA-N 432.347 6.080 30 10 IKEE CCc1ccc(OCCCOc2cc(C)c3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871412804 FHQVPKRNFZLPRQ-QGKKJOCRSA-N 440.539 6.578 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCCOc4ccc(C(C)(C)C)cc4)cc(C)c3C2=O)o1 1871415666 NORVJOADUAUSEL-IWIPYMOSSA-N 432.516 6.268 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccc(C(C)C)cc2)C3=O)c1 1871456134 NZUJUDISRSSXSU-MYYYXRDXSA-N 441.527 6.061 30 10 IKEE CCCCCCCCN=c1nc(N(C)CCCC)[nH]c(=Nc2cc(Cl)ccc2C)[nH]1 1871514229 RRGCTKPBIHNGAO-UHFFFAOYSA-N 433.044 5.430 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(Cl)cc2)[nH]c(N2C[C@@H](C)C[C@H](C)C2)n1 1871523865 HPQGSCQQAFFGHS-OALUTQOASA-N 445.055 5.945 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1cc(C)ccc1C 1872527945 MKHSIRWMUJFVPH-QHCPKHFHSA-N 442.625 5.294 30 10 IKEE O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nonc1OCc1cccc(F)c1 1872686526 ZGWUQSQZJKIAQB-UHFFFAOYSA-N 449.282 5.078 30 10 IKEE C=CCNC(=O)c1ccc2nc(-c3ccc(OCc4ccc(C)cc4)c(OC)c3)[nH]c2c1 1872729723 BCVCEQFLXZJDFH-UHFFFAOYSA-N 427.504 5.042 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)[C@H](C#N)c1nc(-c2cccc(Cl)c2)cs1 1872767094 SLZKWFNQRDLKNC-LBPRGKRZSA-N 437.735 6.269 30 10 IKEE COc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3cc(C)ccc3C)cs2)c(C(C)(C)C)c1 1872772586 QOGDAKKGQANKNM-FQEVSTJZSA-N 448.588 5.988 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)/C=C/c2ccc(C)cc2)n1 1872777016 DIMFRBFFKBMMHZ-XMZCSZCVSA-N 430.573 6.314 30 10 IKEE CCc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1 1872777407 MZVMMOMZFQDNJU-FQEVSTJZSA-N 429.545 5.889 30 10 IKEE Cc1sc([C@H](C#N)C(=O)CN2C[C@@H](C)C[C@H](C)C2)nc1-c1ccc(Br)cc1 1872801258 ZSIKHUBBLHMTJC-SUNYJGFJSA-N 446.414 5.035 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCCCC)=C(c2ccc(OC)cc2)C1=O 1873142692 RBZFREOWZMUATC-UHFFFAOYSA-N 442.644 6.086 30 10 IKEE CCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1cc(OC)ccc1OC 1874231868 GCJIWBXMNWLAFK-YZSQISJMSA-N 446.576 5.228 30 10 IKEE C=C(C)CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccc(OC)cc1 1874243364 BPKJIJDZDBHARQ-CVKSISIWSA-N 436.625 5.596 30 10 IKEE CCCc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccccn2)cc1 1874258116 KINVGBWTFTUAEQ-WPWMEQJKSA-N 443.576 5.379 30 10 IKEE CCOc1ccc(/C=N/n2c(Cc3cccc4ccccc34)nnc2SC)cc1OC 1874268235 NPFDWOYFCRZKES-PCLIKHOPSA-N 432.549 5.034 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2ccccc2)n1/N=C/c1ccc(O)cc1 1874300834 VQWZBWGDAHEUKZ-CVKSISIWSA-N 444.560 5.354 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccccc1 1874337286 PNUGZCDETRHBEH-WGOQTCKBSA-N 432.980 6.005 30 10 IKEE C=C(C)CSc1nnc(CCc2cccs2)n1/N=C/c1ccc(N(CC)CC)cc1 1874371927 YRCJOAFZUWQOCX-LFVJCYFKSA-N 439.654 5.521 30 10 IKEE Fc1ccc(Cc2nnc(SCc3ccccc3Cl)n2/N=C/c2ccccc2)cc1 1874380622 BPYUQMDRLZEEFH-CVKSISIWSA-N 436.943 5.836 30 10 IKEE Clc1cccc(CSc2nnc(COc3ccccc3)n2/N=C/c2cccnc2)c1 1874386907 NDJAFBQGUTUSHZ-AFUMVMLFSA-N 435.940 5.080 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(O)cc1 1874393961 XSRWAJRVRFMCGX-CIRUFVMISA-N 432.524 5.449 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2ccc(Cl)cc2)c1 1874415672 BSKYJZWRAHZZHH-WGOQTCKBSA-N 432.980 6.005 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2[C@H]2CCCO2)cc1 1874445851 MPWDDUKOVWTMNC-LSCMLXDISA-N 442.972 5.356 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2C(C)C)cc1OCC 1874512201 MCSXPWNTLMGBBP-AFUMVMLFSA-N 442.560 5.513 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1OCc1ccccc1 1874573451 ORLMLTZDYYTMOP-JXMROGBWSA-N 447.745 7.131 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cc(Cl)ccc1OCCc1ccccc1 1874592146 FVVVMJBLUIMUBY-JXMROGBWSA-N 427.327 6.520 30 10 IKEE C[C@@H](NC(=O)COc1cccc(/C=C/C(=O)c2ccc3ccccc3c2)c1)c1ccccc1 1874593086 REXOXHXZBZHCMK-PVGBUVFQSA-N 435.523 5.992 30 10 IKEE CCCOc1c(Br)cc(/C=C/C(=O)c2ccc3ccccc3c2)cc1OC 1874603575 TXFOFRLQZQYFLA-DHZHZOJOSA-N 425.322 6.296 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)cc([N+](=O)[O-])c1OCc1cccc(C)c1 1874611874 WQEQZLFZTMXENK-OUKQBFOZSA-N 447.487 5.786 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(OC)c1OCc1cc(C)ccc1C 1874612583 BLCOQBUKVIFKPD-FMIVXFBMSA-N 448.509 6.794 30 10 IKEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccccc3)cc2Br)o1 1874614244 AJBKTEGRWJMNLM-JXMROGBWSA-N 441.277 5.304 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3)c(Br)c2)cc1F 1874621704 PKWAYZWYOVLIBG-JXMROGBWSA-N 441.296 6.072 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OCc1cccc(C)c1 1874623907 BRBQJCGBRNCVSR-NTEUORMPSA-N 448.990 7.646 30 10 IKEE O=C(/C=C/c1ccc(OCCc2ccccc2)c(Br)c1)c1ccc(F)cc1 1874625127 NMNDVXBMLGIFSH-WUXMJOGZSA-N 425.297 6.106 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1ccc(F)c(F)c1 1874626077 LLLKWNBIQDEQME-YCRREMRBSA-N 429.806 6.002 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)c(C)c1C 1874628045 JCHAOIGDYUFTCD-CZIOWHBQSA-N 443.543 5.464 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cc(Cl)c(OCc2ccccc2)c(OC)c1 1874638516 DVILDOBADUPZIC-CSKARUKUSA-N 443.326 6.486 30 10 IKEE CCCCC(=O)Oc1cc(/C=C/C(=O)c2cc(C)ccc2C)c(Br)cc1OC 1874703364 MJOIMWJAOBYZMF-ZHACJKMWSA-N 445.353 6.066 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OC(=O)Cc1ccc(F)cc1 1874708021 IWNQBICKNIRMJN-MKMNVTDBSA-N 432.491 6.002 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(-n3cccc3)cc2)c1)c1ccc(F)c(F)c1 1874710633 GIOYNPHRYRDITG-AWNIVKPZSA-N 429.422 5.871 30 10 IKEE Cc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)c2)cc1C 1874711327 VUHWFBDPEVJHCS-OUKQBFOZSA-N 426.556 6.581 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Br)cc2)ccc1OC(=O)CC(C)(C)C 1875110895 IHUCQENJKLPIRJ-VZUCSPMQSA-N 431.326 5.695 30 10 IKEE CSCCCC(=O)Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1[N+](=O)[O-] 1875155014 IRCAUUVNRPWCMZ-ACCUITESSA-N 435.501 5.693 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)c2cncc(C)c2)cc1 1875161128 ACUSYJAOTNIQJP-XYOKQWHBSA-N 429.516 5.811 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc(Cl)c1OC(=O)CC 1875162779 KZMOMIBPPYNBAT-MDZDMXLPSA-N 444.955 6.391 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@H](CNC(=O)OC(C)(C)C)CC1CCCC1 1922085527 JCKMTXJEOUEGMZ-DNQXCXABSA-N 430.633 5.459 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H](CNC(=O)OC(C)(C)C)CC1CCCC1 1922085528 JCKMTXJEOUEGMZ-RPWUZVMVSA-N 430.633 5.459 30 10 IKEE CN(CC[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1)C(=O)OC(C)(C)C 1980082322 UKRYUWHPKNJODS-JOCHJYFZSA-N 437.968 5.621 30 10 IKEE C#CCN(C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)CC)C(C)(C)C 1984778218 DAUHQRLJDYDRCV-CLOONOSVSA-N 446.591 5.200 30 10 IKEE C#CCCN(C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)CC)C(C)C 1984779835 YMERAEUKOCRSJM-IBVKSMDESA-N 446.591 5.200 30 10 IKEE CCCCCCCCCCOc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1 2040464178 DMTUOWAZJDFZSU-UHFFFAOYSA-N 443.425 7.865 30 10 IKEE C[C@@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)[C@@H](OCc2ccccc2)C1 2043778242 XYKBTNXRELYDGY-QURRFSBHSA-N 440.628 6.614 30 10 IKEE CC(C)[C@H]1CC[C@@H](C)C(=CNc2ccccc2NC=C2C(=O)[C@@H](C(C)C)CC[C@H]2C)C1=O 2052073700 DKFUOMWETOKXBE-GXRSIYKFSA-N 436.640 6.821 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCN(C(=O)OC(C)(C)C)C23CC3)cc1 2070829855 OSFMVDZWURFMJV-RUZDIDTESA-N 441.572 5.562 30 10 IKEE O=C(CC#CC1CC1)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071361393 WACYPHIGRFCAAV-MUUNZHRXSA-N 426.512 5.251 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C12CCC2 2076647869 ORWNWOWSSODUJK-JOCHJYFZSA-N 448.568 5.140 30 10 IKEE CCc1nn([C@@H](c2ccc(C3CC3)cc2)C2(C)CC2)c(I)c1C#N 2079007593 VVPWRZCLLUCFSB-SFHVURJKSA-N 431.321 5.189 30 10 IKEE Cc1ccc([C@H](n2nc(C(C)C)c(C#N)c2I)C2(C)CC2)cc1C 2079090063 JOFBIWBGGIAHOW-SFHVURJKSA-N 433.337 5.489 30 10 IKEE Fc1ccc(C(F)(F)F)c(Cn2nc(Br)c(Cl)c2C(F)(F)F)c1 2079142858 AUJQNMDKBWPWLJ-UHFFFAOYSA-N 425.529 5.524 30 10 IKEE Cc1cc(C)c([C@H](C(C)C)n2nc(C(F)(F)F)c(C=NO)c2Br)c(C)c1 2079857461 AQGRYFCHCWBQRC-HNNXBMFYSA-N 432.284 5.643 30 10 IKEE CCc1nn([C@H](c2ccc(C(F)(F)F)cc2F)C2CC2)c(Br)c1C=NO 2079878818 TVDZOJSASYZSIU-HNNXBMFYSA-N 434.231 5.173 30 10 IKEE CC1([C@H](c2ccc(C(F)(F)F)cc2F)n2nc(C3CC3)c(C#N)c2Br)CC1 2079906330 YJUSVMULWYBYHT-INIZCTEOSA-N 442.254 5.942 30 10 IKEE CCc1nn([C@@H](c2ccc(C3CCC3)cc2)C(C)C)c(I)c1C#N 2079925994 VHEBQXOARHMLEK-LJQANCHMSA-N 433.337 5.435 30 10 IKEE Cc1cc(C)c([C@H](n2nc(C(C)C)c(C#N)c2I)C2(C)CC2)c(C)c1 2079992579 GFSYSUQDXIVHRU-IBGZPJMESA-N 447.364 5.798 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2c(C)sc(C)c2Br)cc1 2092952863 LBTCTAKQDZFIIL-INIZCTEOSA-N 435.387 6.442 30 10 IKEE C=CCC1([C@H](N)Cc2cc(Cl)c(C)c(Br)c2)CN(C(=O)OC(C)(C)C)C1 2111272458 KMMRNMPHBVHFLU-QGZVFWFLSA-N 443.813 5.094 30 10 IKEE C[C@H](C1CC1)N(Cc1ccccc1)c1ncc(C(F)(F)F)cc1B1OC(C)(C)C(C)(C)O1 2116139173 VYGAIGPDPIOHQP-MRXNPFEDSA-N 446.322 5.205 30 10 IKEE C=CCN(CC[C@@H](NCCC)c1c(F)ccc(F)c1Br)C(=O)OC(C)(C)C 2155521712 RNPCTYYMLRRALJ-MRXNPFEDSA-N 447.364 5.581 30 10 IKEE CC(C)(C)OC(=O)N1CCCC2(CC(Nc3ccc(C#N)c(Br)c3F)C2)C1 2162284528 QMMZAPCQOMVXAG-UHFFFAOYSA-N 438.341 5.051 30 10 IKEE Cc1ccc(C(=O)Nc2ccc(Br)c(C#N)c2)cc1NC(=O)OC(C)(C)C 2180954971 UBVHBYBOJTUBQZ-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE O=C(C#Cc1ccccc1)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2191336560 MBPMZOWMOFZXKV-PMERELPUSA-N 448.518 5.499 30 10 IKEE C=C(C)C[C@H](NCCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229117872 FKIBBFOVTRLCPW-RBUKOAKNSA-N 425.411 5.219 30 10 IKEE CCCCCCC[C@@H](NC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237426120 BUIYJPCYZHHKAN-WOJBJXKFSA-N 441.454 5.833 30 10 IKEE CCc1ccc(C#C[C@@H](O)c2cc(Br)cc(NC(=O)OC(C)(C)C)c2)cc1 2239657979 LNBRHAKSYRMNBI-HXUWFJFHSA-N 430.342 5.444 30 10 IKEE CC(C)(C)C#CC=CC[C@H](N)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2256733803 QIDNTBKXJGIGIN-WNCULLNHSA-N 440.628 5.154 30 10 IKEE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)C2=CC[C@@H](C(C)(C)C)CC2)C1 2256775372 BMNPZLBWZDEUDT-JOCHJYFZSA-N 441.612 5.782 30 10 IKEE C#CCCC[C@H](OCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2274798824 NIKVPRJNXOWSFD-VWLOTQADSA-N 444.527 5.790 30 10 IKEE C=CCN(CC[C@H](NCCC)c1ccc(Br)c(OC)c1)C(=O)OC(C)(C)C 2281453862 DVKXVFHFIGMPJW-SFHVURJKSA-N 441.410 5.312 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Br)cc(C(C)(C)C)c1 2288655372 UAIHAUHZNJCPMT-RBUKOAKNSA-N 439.438 5.867 30 10 IKEE C=C(COCc1ccccc1)[C@](C)(OCCC(=O)O)c1cc(Br)ccc1F 2291122978 ZWGKXEJFWGHFPA-NRFANRHFSA-N 437.305 5.068 30 10 IKEE COC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(OCc3ccccc3)cc2)C1=O 2294017428 OLJRMDRLLOHXIE-UHFFFAOYSA-N 443.524 5.419 30 10 IKEE CCCCCCCCOc1ccc(C=C2SC(=S)N([C@@H](C(=O)O)C(C)C)C2=O)cc1 2296012217 HYOUVEWJVPDQFE-HXUWFJFHSA-N 449.638 5.736 30 10 IKEE Cn1cc(C=C2SC(=Nc3ccc(Cl)c(C(F)(F)F)c3)NC2=O)c2ccccc21 2296882995 ICRDPCTXTPJWDN-UHFFFAOYSA-N 435.858 5.742 30 10 IKEE Cc1ccc(NC=C2C(=O)c3ccccc3N(Cc3ccc(Cl)cc3)S2(=O)=O)cc1 2297375441 HUIRGLOPJCPRTO-UHFFFAOYSA-N 438.936 5.135 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2302570877 DLIBIXMZQHHGRC-GUDVDZBRSA-N 433.524 5.153 30 10 IKEE CCOc1ccc2oc(C)c(C(=O)Oc3ccc4c(c3)OC(=Cc3ccncc3)C4=O)c2c1 2314437028 ALIAMASYOCNYRK-UHFFFAOYSA-N 441.439 5.370 30 10 IKEE CN1C(=O)C(=Cc2ccc(-c3cccc(Cl)c3)o2)SC1=Nc1ccncc1Cl 2314542593 MSQBTMMXJRVVSU-UHFFFAOYSA-N 430.316 5.882 30 10 IKEE N#Cc1nc([C@@H]2C[C@@H]2c2ccccc2)oc1NN=Cc1ccc(OCc2ccccc2)cc1 2320837093 KEOARFBJLHBNLJ-DNQXCXABSA-N 434.499 5.842 30 10 IKEE Cc1c(OCc2cccc(F)c2)ccc2c1OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2321889900 CIHZTDKVMSAZJB-UHFFFAOYSA-N 436.482 6.996 30 10 IKEE COc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccc(F)cc2)C4)cc1 2322051992 ZGPQHSGRNFICGB-UHFFFAOYSA-N 431.463 5.111 30 10 IKEE COc1ccc(OC)c(C=C2Oc3c(ccc4c3CN(C3CCCCCC3)CO4)C2=O)c1 2322076155 YYOFZTINTFXPKM-UHFFFAOYSA-N 435.520 5.195 30 10 IKEE Cc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(C23CC5CC(CC(C5)C2)C3)C4)o1 2322238808 SVDXVNYINNSVRV-UHFFFAOYSA-N 431.532 5.633 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1cccc(F)c1)c1ccc(-c2ccccc2)cc1 2322305720 RMILFRZYWUVCEB-UHFFFAOYSA-N 442.917 7.621 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1 2322359588 MXFVBGIAEPSTKX-UHFFFAOYSA-N 445.773 7.684 30 10 IKEE COc1ccc(C=C2Oc3c(cc4c(c3C)OCN(CCc3ccc(C)cc3)C4)C2=O)cc1 2322433345 ALYFRNOSAUESSP-UHFFFAOYSA-N 441.527 5.323 30 10 IKEE CCCCCOc1ccccc1C=NNc1cnn(-c2ccccc2Cl)c(=O)c1Cl 2322624201 NUJDFZWVVGJBRC-UHFFFAOYSA-N 445.350 5.554 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc(OC)cc4)c3C)C2=O)cc1 2322687621 AMYLAIICNGWRKC-UHFFFAOYSA-N 430.456 5.238 30 10 IKEE O=C(C=Cc1c(OCc2cccc(Cl)c2)ccc2ccccc12)c1ccc(F)c(F)c1 2322779815 NOCHTXOVJJKIIM-UHFFFAOYSA-N 434.869 7.247 30 10 IKEE CCOC(=O)c1ccc(COc2cc(C=CC(=O)c3cc(C)ccc3C)ccc2OC)o1 2323160483 HLVRMQJEEFXYFV-UHFFFAOYSA-N 434.488 5.557 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)c(OCc3cccc(Cl)c3)c(OC)c2)cc1 2323461300 VNYZMYOFNMRIBY-UHFFFAOYSA-N 441.354 7.040 30 10 IKEE CCCCCCCCCOc1ccc(C=Nn2c(S)nnc2-c2ccco2)c(Cl)c1 2323538820 NOEFLRPAWYVKOW-UHFFFAOYSA-N 447.004 6.492 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2OCC)o1 2323865442 BSNBWYWMZCOZPQ-UHFFFAOYSA-N 448.515 5.947 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OCc3cccc(C)c3)c(OC)c2)cc1F 2324102946 MDXGPMBCTXZVLZ-UHFFFAOYSA-N 440.898 6.280 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(F)c2)cc(OC)c1OCc1ccccc1C 2324123891 BSZMPCYFEDKYDU-UHFFFAOYSA-N 446.518 6.355 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1 2324376001 WVHGZIXODGBTEY-QGZVFWFLSA-N 431.463 5.465 30 10 IKEE CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2C)C3=O)cc1 2324521603 YARAGBMWCOFBFR-GOSISDBHSA-N 443.499 5.416 30 10 IKEE CC(C)Oc1ccc(C=C(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)c2ccccc2)cc1 2324598805 GSQFGRROCPPHCR-HSZRJFAPSA-N 430.573 6.471 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1Cl 2324609785 GGYQIOLUCYOFJA-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)N[C@@H](C)c4ccccc4)cc(C)c3C2=O)cc1 2325019702 BAMVSVZOCOFMPB-IBGZPJMESA-N 427.500 5.176 30 10 IKEE O=C(Cc1ccccc1Cl)Oc1cccc(C=CC(=O)c2ccc3ccccc3c2)c1 2325700003 CBNKAHVYFNEWOZ-UHFFFAOYSA-N 426.899 6.537 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1OC(=O)c1cc2ccccc2n1C 2325729792 VXKQBGQUKZBHPO-UHFFFAOYSA-N 445.902 5.956 30 10 IKEE CCOc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3c(C)cc(C)cc3C)c2)cc1 2325764839 ITZNZKGZSGYPSU-UHFFFAOYSA-N 444.527 5.891 30 10 IKEE CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1c[nH]c2ccccc12 2326103626 YVUDPKGEZXVYIE-UHFFFAOYSA-N 425.945 5.213 30 10 IKEE Cc1cc(C)cc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccc(F)cc2)c1 2326426237 LILCGASBGCQBIZ-UHFFFAOYSA-N 430.552 5.799 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccc(Cl)cc3)n2N=Cc2cccnc2)c1 2328036893 ICADUAOBZYFCPN-UHFFFAOYSA-N 447.995 5.595 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccc(C)c(C)c3)n2N=Cc2ccc[nH]2)c1 2329427926 OKCLUJWHOGAIJG-UHFFFAOYSA-N 429.593 5.605 30 10 IKEE CCCSc1nnc(CC2CCCCC2)n1N=Cc1cc(Br)ccc1O 2330281883 QGQFWPJUCOBJAE-UHFFFAOYSA-N 437.407 5.253 30 10 IKEE COc1cccc(C=Nn2c(Cc3cccs3)nnc2SCc2cccc(C)c2)c1 2330346511 RNZAYAQYAKKWIF-UHFFFAOYSA-N 434.590 5.422 30 10 IKEE Cc1ccsc1C=Nn1c(Cc2cccs2)nnc1SCc1ccccc1F 2330392944 GSHIAUOQYUBDAT-UHFFFAOYSA-N 428.583 5.614 30 10 IKEE Cc1cccc(CSc2nnc(-c3cccs3)n2N=Cc2ccc3c(c2)OCCO3)c1 2330549490 HXCPVYIQDFMLKW-UHFFFAOYSA-N 448.573 5.261 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1ccccc1Cl 2330674909 JNXLHDBKRCDJGZ-UHFFFAOYSA-N 442.898 6.617 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(C)c3)c(Cl)c2)cc1OC 2330718490 NYXAMTDOCAGBMI-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3c(OC)cccc3OC)cc2)cc1 2330824595 SUVBWRVZIFUZFD-UHFFFAOYSA-N 444.527 6.162 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccnc3)c(OCC)c2)cc1 2330840857 NXYHERKTENRPCT-UHFFFAOYSA-N 429.516 5.938 30 10 IKEE Cc1ccccc1CSc1nnc([C@@H]2CCCO2)n1N=Cc1ccc(C(C)(C)C)cc1 2330895997 UDQRSXNZKNGNDE-QFIPXVFZSA-N 434.609 5.910 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCc3ccccc3C)nnc2C(F)(F)F)cc1 2331115707 SJKOFUGYVWRNMD-UHFFFAOYSA-N 448.514 5.959 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)c(F)c2)c(Cl)c1)c1cccc(Cl)c1 2331123199 QHZKDKBAGATTEY-UHFFFAOYSA-N 433.237 6.387 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Br)c1OC(=O)C1CCC1 2331129987 ULLQXASDFRNHMM-UHFFFAOYSA-N 449.728 5.713 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(Cl)cc2)cc1OC 2331138386 ZTNURCQWPMENJH-UHFFFAOYSA-N 435.347 6.774 30 10 IKEE CCc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C(F)(F)F)cc1 2331149609 IROHAOYDNWYPHP-UHFFFAOYSA-N 440.494 6.187 30 10 IKEE CCCCCCOc1ccc(C=Nn2c(SCCC)nnc2-c2ccco2)cc1OC 2331216095 GGNLVYLWXMLBER-UHFFFAOYSA-N 442.585 5.890 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)Cc1ccccc1F 2331259820 GAAJYIZOQHLKQS-UHFFFAOYSA-N 434.463 5.196 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc(F)c2)n1N=Cc1cccc(Br)c1 2331385350 VXLZHERIWYSFSC-UHFFFAOYSA-N 447.377 5.652 30 10 IKEE O=C(Cc1cc(Cl)ccc1Cl)Oc1ccc(C=CC(=O)c2ccc(F)cc2)cc1 2331512604 GHYPZSLZXYXPDT-UHFFFAOYSA-N 429.274 6.177 30 10 IKEE COc1cccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2C2CCC2)c1OC 2331523645 NAIJARHKTOSIQN-UHFFFAOYSA-N 436.581 5.354 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CCC2)cc1 2331539310 MXTBDBRXWAQZOK-UHFFFAOYSA-N 425.001 6.497 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OC(=O)Cc1ccccc1F 2331565583 VYCKRIUFRSLREJ-UHFFFAOYSA-N 440.417 5.547 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2ccc(OC(=O)c3sccc3C)cc2)cc1Cl 2331695739 KMBOBINFILMVGL-UHFFFAOYSA-N 442.920 5.842 30 10 IKEE COC(=O)c1ccc(CSc2nnc(C(C)C)n2N=Cc2ccc(C(C)C)cc2)o1 2331698008 GZCQFBWGGPNBCP-UHFFFAOYSA-N 426.542 5.079 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)COc3ccc(C)c(C)c3)cc2)cc1C 2331835526 HLYOIPKRLXOGSP-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1cnc2c(c1)CCC2 2368006783 FZCVVFSZWHYYQZ-LJQANCHMSA-N 428.330 5.339 30 10 IKEE Cc1cc(CNc2cc(Cl)cc(Br)c2)ccc1B1OC(C)(C)C(C)(C)O1 2369613241 MSERXROOSDJDQZ-UHFFFAOYSA-N 436.586 5.322 30 10 IKEE C=CCOc1cccc(NC(=S)NC(=O)CCCOc2ccc(Cl)cc2Cl)c1 14783817 MWVGGLSKAMSZOT-UHFFFAOYSA-N 439.364 5.230 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2OCCC)cc1 21221455 QRQBIKCETMBWES-SIKLNZKXSA-N 433.548 5.269 30 10 IKEE CC(C)c1ccc(NC(=O)[C@@]23CC[C@@](C)(/C(=N\OC(=O)c4ccccc4)C2)C3(C)C)cc1 38320810 YDQZUEWMXYRIGZ-GLLGEUJBSA-N 432.564 6.178 30 10 IKEE C=CCOc1cccc([C@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2Cc2ccco2)c1 38593374 DYVNWKSUNSUHJP-DEOSSOPVSA-N 441.483 5.313 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2)[C@@H]1c1ccc(OCCC)cc1 40077779 GCPYJPIRURNXDL-QHCPKHFHSA-N 437.536 5.253 30 10 IKEE C=C(C)C(=O)NCCCCCc1nc2ccccc2n1CCCCOc1cccc(C)c1C 40219828 TUTJHQQGKCZQRJ-UHFFFAOYSA-N 447.623 5.917 30 10 IKEE C=CCc1ccccc1OCCCn1c(COc2ccc3ccccc3c2)nc2ccccc21 40237890 SUWCGQJUQRVHTD-UHFFFAOYSA-N 448.566 6.966 30 10 IKEE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1/C(=N/Nc1ccccc1)CCC2 40824255 KIAKQZVUNTVGEN-YZSQISJMSA-N 429.303 6.267 30 10 IKEE CCCCCCn1c2ccccc2c2nnc(N/N=C/c3cccc(OC)c3OCC)nc21 64981542 MOBGNOPPDBMIJX-YZSQISJMSA-N 446.555 5.413 30 10 IKEE C=CCn1nc(SCCC(=O)Nc2ccccc2)nc1-c1ccc(Br)cc1 72261338 RVIANAKOEXOMDP-UHFFFAOYSA-N 443.370 5.015 30 10 IKEE O=C(/C=C1/Nc2ccccc2N/C1=C/C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 100395395 BYFFOBTUCVRBOH-JFMUQQRKSA-N 435.310 6.364 30 10 IKEE N#CCCN(Cc1ccccc1)C(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl 100440194 JVWACJIONSPCBD-UHFFFAOYSA-N 438.358 6.222 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1ccc(CC(=O)NC)cc1 100444392 ISLXZRLQTWKPTC-UHFFFAOYSA-N 433.662 5.489 30 10 IKEE CCCCCCCCCCn1c([C@H]2CC(=O)N(c3ccc(CC)cc3)C2)nc2ccccc21 102209853 JGNQOJGWUGYNMX-DEOSSOPVSA-N 445.651 7.260 30 10 IKEE Cc1nc(N2C(=O)C(=O)/C(=C(\O)c3ccc(Cl)cc3)[C@H]2c2cccs2)sc1C 102904712 RQNQQYQBGQKQKM-CFBLSMTOSA-N 430.938 5.101 30 10 IKEE CCOc1ccccc1NC(=O)CCSc1nc(-c2ccc(OC)cc2)ccc1C#N 145714736 AWXACGHOQGJQRQ-UHFFFAOYSA-N 433.533 5.148 30 10 IKEE CCCCc1nnc(S)n1/N=C\c1ccc(OCc2cccc(Cl)c2)c(OCC)c1 169910926 FQWYCZPEQQJDTB-OYKKKHCWSA-N 444.988 5.423 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccc(O)cc2)c(C)c1 169962816 XRCCGMGSOHFHKW-DEOSSOPVSA-N 438.483 5.273 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(OC(C)C)cc2)ccc1F 169977465 ZMJAESAUYXHGBI-DEOSSOPVSA-N 445.490 5.704 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1cccs1)c1cccc2ccccc12 169985411 HQZDFQYDSXHLEH-JOCHJYFZSA-N 445.927 6.338 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccccc2)=C(N(CC)CCc2ccncc2)C1=O 170042195 OLHJZUIQOJNACB-UHFFFAOYSA-N 433.596 5.087 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1c[nH]c2ccccc12)c1cccc(Cl)c1 170073656 UUEOFKKSRABPGX-QFIPXVFZSA-N 446.865 5.743 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)(C)C)cc2)[C@H]1c1ccco1 170091069 WDUPBPCNUGIPJE-QFIPXVFZSA-N 449.478 5.508 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@@H]1c1cccs1 170161380 ZAHWXLSPOZXVIH-QHCPKHFHSA-N 447.556 5.874 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccncc1)c1ccc(Cl)c(Cl)c1 170200046 NGNCXYJUFZCIQD-LJQANCHMSA-N 443.261 5.310 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1ccncc1)c1cccc2ccccc12 170207060 HLMLVTWBKYQRHI-HSZRJFAPSA-N 442.421 5.296 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccncc1)c1ccc(Cl)c(Cl)c1 170209388 YMIUFAVDNBPVKZ-LJQANCHMSA-N 431.319 5.299 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccccc1)c1ccc2c(c1)CCCO2 170226965 HHCRJSXQVMNOAX-QHCPKHFHSA-N 445.902 5.448 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1)c1ccc(Cl)c(Cl)c1 170230449 IGWURVDMFDVJBO-LJQANCHMSA-N 428.271 5.365 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(Cl)cc1 170236793 IUWCJEYQGGCERD-NRFANRHFSA-N 427.928 5.426 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccc(F)cc2)cc1C 170238996 YFCGWIWPUISHCX-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(F)cc1 170240206 DDIRIYFMFYZJOH-VWLOTQADSA-N 437.470 6.070 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(F)cc1 170240307 ODEIACAHYKIQJA-VWLOTQADSA-N 437.470 6.070 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(C(C)C)cc2)c(C)c1 170246085 PLRSOANIPOVIEP-DEOSSOPVSA-N 433.548 5.648 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@@H]1c1ccccc1F 170253116 BHCSIOCBOPQDKU-NRFANRHFSA-N 445.918 5.646 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc(O)c2)cc1C(C)C 170261826 CTWPDGXYTUCCSY-XMMPIXPASA-N 449.547 5.435 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cc(C)c(OC)cc3C)=C(O)C(=O)N2Cc2ccco2)cc1 170266445 XAQHLBKMAYFZTB-XMMPIXPASA-N 445.515 5.246 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@H]1c1ccccc1C 170276648 ZTNULUCKKXGMOE-XMMPIXPASA-N 435.564 5.814 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1sccc1C 170319321 LJSCMSGQNLZNTM-KRWDZBQOSA-N 448.382 5.588 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@H]1c1sccc1C 170319385 RPCWMIVHQGIZKH-SFHVURJKSA-N 433.957 5.487 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccc(O)c(Cl)c1)c1ccccc1 170366977 LAGNCLKQRIEIMI-FQEVSTJZSA-N 441.817 5.107 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 170415143 SEPJIFQOJBMTOJ-QHCPKHFHSA-N 444.506 5.297 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cccc(Cl)c2)ccc1OC 170440792 JAHLNKXAQALWMC-HXUWFJFHSA-N 443.927 5.263 30 10 IKEE CCCCCOc1ccc(C(=O)Oc2ccc(C=Nc3ccc(CC#N)cc3)cc2)cc1 254521968 BVWUGMAWNPGDFQ-UHFFFAOYSA-N 426.516 6.291 30 10 IKEE CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4CC(=O)/C(=C\O)C[C@]4(C)[C@@H]3CC[C@@]21C 254522166 UXGWFWJQNSRBBQ-LJCNCXBWSA-N 426.685 7.895 30 10 IKEE CC(C)COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccnc2)cc1 526487625 DCLQWCKNPOUGNJ-XMMPIXPASA-N 425.488 5.045 30 10 IKEE CCOc1cccc([C@H]2C(c3cccc(OC)c3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 526488086 FALCWRAYRFIGOD-DEOSSOPVSA-N 426.472 5.023 30 10 IKEE Cc1ccc([C@H]2C(c3ccc(Cl)cc3Cl)=C(O)C(=O)N2c2ccccc2C#N)o1 526607976 BBQRXUIQTLQAPB-FQEVSTJZSA-N 425.271 5.824 30 10 IKEE CCCCOc1cccc(/C=N\n2c(CCC)nnc2SCc2ccc(F)cc2)c1 526803103 RKXLEYPTOBBKIR-XYGWBWBKSA-N 426.561 5.723 30 10 IKEE Cc1ccc(COc2ccccc2/C=N\n2cnnc2SCc2cccc(C)c2)cc1 526807966 GTGIHJHDDWSJPJ-DICXZTSXSA-N 428.561 5.648 30 10 IKEE C[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 698829280 QEKDAYVOIAHRJT-QMHKHESXSA-N 433.524 5.249 30 10 IKEE C[C@@H]1CC[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)CN1C(=O)OC(C)(C)C 698898627 IXDGDDSYTJPEKI-OPAMFIHVSA-N 435.590 5.167 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 724073757 WYUOSKQMAUMWQF-QMHKHESXSA-N 449.979 5.669 30 10 IKEE C[C@H]1CC(=NOC(=O)c2ccccc2F)c2ccc(OC(=O)c3ccccc3F)cc2C1 1083992498 UACDJTUITHKZCY-OAHLLOKOSA-N 435.426 5.327 30 10 IKEE CCc1ccc(C(=O)N2c3ccc(F)cc3/C(=N\c3cc(F)c(F)cc3F)C[C@H]2C)cc1 1615946419 LMIFHKGZIRYFID-RSGQNOTISA-N 440.440 6.365 30 10 IKEE C=CCC[C@@H](NC(=O)CCc1nc(O)c2c3c(sc2n1)C[C@@H](C)CC3)c1ccccc1 1636820107 BENXECJWRNLHMH-QFBILLFUSA-N 435.593 5.278 30 10 IKEE Cc1ccc(-n2cc(/C=N\NC(=S)Nc3ccc(F)cc3)c(-c3cccs3)n2)cc1C 1857808111 PBGAAJVFKPQJKY-MXAYSNPKSA-N 449.580 5.677 30 10 IKEE Cc1cccc(C(C)C)c1NC(=O)c1nc(C(=O)Nc2ccc(C#N)cc2)n2ccccc12 1858242413 ZOECMYCNTKONDN-UHFFFAOYSA-N 437.503 5.142 30 10 IKEE CC(C)c1ccnc(N2CCC3(CC2)CC(=O)c2cc(Cl)cc(Cl)c2O3)c1C#N 1859822007 ZHYLDZBXHIBTLR-UHFFFAOYSA-N 430.335 5.388 30 10 IKEE C=CCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCC(C(C)(C)C)CC1 1860017272 AKHODAUDMHFJDG-UHFFFAOYSA-N 435.452 6.957 30 10 IKEE N#Cc1ccccc1COc1cccc(NC(=O)Cc2ccc(Br)s2)c1 1860137523 WWNSHCLUOXTQBN-UHFFFAOYSA-N 427.323 5.142 30 10 IKEE COc1cc(/C=C/C(=O)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccccc1 1860728606 QUSYAYIIBHIIPX-FMIVXFBMSA-N 435.907 5.457 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(-n2cccc2)cc1 1861778283 WFFIXVHJWDXVKV-SANMLTNESA-N 445.607 5.295 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)c1cc([N+](=O)[O-])ccc1Cl 1861835644 QTNBAQYPJFKEAM-HXUWFJFHSA-N 439.984 5.404 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2Cl)cc1 1862391808 ISSVDKKZIRKKFO-HSZRJFAPSA-N 437.967 6.204 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(Cl)cc1Cl 1862416541 PVGILNBFYYFZCZ-QGZVFWFLSA-N 426.246 5.258 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccccc2Cl)=C(O)C(=O)N1[C@H](C)c1ccccc1 1862429747 UGHTXKXJMFJCPR-HXOBKFHXSA-N 431.919 5.988 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc(Cl)c1 1862432610 IVFBNOHWMHSTNW-FQEVSTJZSA-N 432.347 6.152 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccccc2)cc1 1862487292 XNNSWDWATWROQN-RUZDIDTESA-N 425.528 5.433 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(Cl)c(Cl)c1 1862498421 ICLYCUZANWYAID-HXUWFJFHSA-N 432.347 5.989 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc3c(c2)CCCN3C)c1 1862498958 VCNQWYNUXOLXTC-RUZDIDTESA-N 446.591 5.310 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C(C)C)cc1 1862583133 UEAYLEJQZRMEDF-LJQANCHMSA-N 434.319 5.379 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2ccccc2Cl)cc1 1862594588 GPPSJRYRKHSVFE-JOCHJYFZSA-N 433.891 5.133 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(O)cc2)cc1 1862613485 IWJBPVMELPOXGO-XMMPIXPASA-N 441.527 5.468 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2[C@H](C)CC)c1 1862669360 UMXMUVNRRIZKIW-HOYKHHGWSA-N 435.564 5.976 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2C2CCCCC2)c1 1862696083 MRZCDRUEWLOMNK-XMMPIXPASA-N 449.547 5.395 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc(C(F)(F)F)cc2)c1 1862706257 RSYOGMGYVMHBLF-HXUWFJFHSA-N 447.453 5.338 30 10 IKEE Cc1cccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3cccc4ccccc34)C2=O)c1C 1862844616 WVCOGGFPQYLPMR-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE N#Cc1cccc(NC2=C(c3c[nH]c4ccccc34)C(=O)N(c3ccc(Cl)cc3)C2=O)c1 1863125949 YTHXTIWJXANCKK-UHFFFAOYSA-N 438.874 5.090 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C)c2)=C(c2ccc(OC(C)C)cc2)C1=O 1863353305 HCYDLHIBXIMRIQ-UHFFFAOYSA-N 448.607 6.335 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(C)c(C)c2)C(=O)N(CCCOC)C1=O 1863601997 SDMXZAFVRYQAHG-UHFFFAOYSA-N 428.617 5.150 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1sc2c(c1C#N)CCC2 1866032803 YBCXHEZSZKRDTL-UHFFFAOYSA-N 430.702 8.308 30 10 IKEE N#Cc1ccccc1Nc1cc(N2CCC[C@@H](Oc3ccccc3)C2)nc(-c2ccccc2)n1 1868373505 WSUSPUVSGXZKPK-XMMPIXPASA-N 447.542 5.807 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)Nc2ccc(CC)cc2)c(=O)cc1C 1870085582 UPQNXVBZRIPZJY-UHFFFAOYSA-N 426.601 5.877 30 10 IKEE Cc1cc(-n2nnc(C#N)c2NC(=O)/C(=C\c2ccccc2)c2ccccc2)ccc1Cl 1870142781 VQJXYJRIOXRUMK-QNGOZBTKSA-N 439.906 5.280 30 10 IKEE CCCCCCCOc1cn(CCN(CC)CC)c(CSc2ccccn2)cc1=O 1870251609 MWVCCPAIYOEVJH-UHFFFAOYSA-N 431.646 5.227 30 10 IKEE CCCCCCCOc1cn(CCc2cnc[nH]2)c(CSCc2ccccc2)cc1=O 1870251991 ZYGYGAZBRHMNDC-UHFFFAOYSA-N 439.625 5.597 30 10 IKEE CCCCCCCCn1cc(OCc2c(C)cccc2C)c(=O)cc1CSCCO 1870277100 AVCVWZYMDXHYOZ-UHFFFAOYSA-N 431.642 5.630 30 10 IKEE CCCCCCCCCCn1cc(OCC(C)C)c(=O)cc1CNc1ccccc1C 1870858378 GRDUPJUISIYKJV-UHFFFAOYSA-N 426.645 6.944 30 10 IKEE Cc1c(OC(=O)/C=C/c2ccc(C(C)C)cc2)ccc2c1O/C(=C\c1cccnc1)C2=O 1871379379 FDJXKVFUIKDTPX-NFOYZZEQSA-N 425.484 5.748 30 10 IKEE N#Cc1ccc(COc2ccc3c(c2)O/C(=C\c2ccccc2Br)C3=O)cc1 1871418073 VKVIZTDZASPMIJ-JJFYIABZSA-N 432.273 5.516 30 10 IKEE CCCCCCCCCOc1ccc2c(c1)O/C(=C\c1ccc(N(CC)CC)cc1)C2=O 1871429873 RBSNXRBATCTTLJ-OOAXWGSJSA-N 435.608 7.278 30 10 IKEE O=C1/C(=C/c2ccccc2Cl)Oc2cc(OCc3nc(O)c4ccccc4n3)ccc21 1871430675 OCJGQDNYIPVLDY-NHDPSOOVSA-N 430.847 5.184 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc(O[C@H](C)C(=O)Nc3ccc(C#N)cc3)c2C)C1=O 1871435803 CLIBUCRADQZFJN-YQODDJSKSA-N 444.512 5.259 30 10 IKEE CC(C)OC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)o1 1871439375 VYJNZQKCEXZJOV-JJFYIABZSA-N 438.863 5.693 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3c(C)cccc3C)cc(C)c2C1=O 1871440377 LMJOBWOIHQSTBW-QRVIBDJDSA-N 443.499 5.254 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccc(F)cc3)cc(C)c2C1=O 1871456657 PGJOMAYYRYXXOG-QRVIBDJDSA-N 447.462 5.167 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(Br)cc2)[nH]c(N(C)C)n1 1871473184 MOSTVDUTHKFITM-UHFFFAOYSA-N 449.441 5.418 30 10 IKEE C=CCN=c1nc(Nc2ccc(OC(C)C)cc2)[nH]c(N(CCCC)CCCCCC)n1 1871721953 LKCFSEFYKNINQD-UHFFFAOYSA-N 440.636 5.609 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1)S(=O)(=O)c1ccc(C)c(C)c1 1871767793 HSQCOHNQBDCKPL-VWLOTQADSA-N 448.588 5.169 30 10 IKEE CCOc1ccc(-c2nc(C3=C(N)N(c4ccccc4C(C)(C)C)CC3=O)sc2C)cc1 1872726380 TVIAHYCYITWOLN-UHFFFAOYSA-N 447.604 5.531 30 10 IKEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(C)cc3C(C)(C)C)n2)c(C)c1 1872769824 YPJRLBCUPNHSPR-FQEVSTJZSA-N 432.589 6.288 30 10 IKEE Cc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(F)c(F)c3)cs2)c(C(C)(C)C)c1 1872779205 DREMWBNUJLUFDM-INIZCTEOSA-N 440.515 5.950 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)cc1 1872787851 SXDAEBOMODSEDR-OGECGYFKSA-N 432.545 5.724 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C)c2C)=C(c2cccc(OC)c2)C1=O 1873218401 LDKWTUHVFHTBQT-UHFFFAOYSA-N 434.580 5.865 30 10 IKEE CCCSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1ccccc1F 1874209974 ZVEWBKKFIYHKPS-LPYMAVHISA-N 433.350 5.155 30 10 IKEE CCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1cccc(Cl)c1 1874244376 BYCHAMHVKWCWQE-MFKUBSTISA-N 429.033 6.075 30 10 IKEE CCCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1cccc2ccccc12 1874247655 PBCQNVJLSLHEJT-ZXVVBBHZSA-N 444.604 6.136 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2C)n1/N=C/c1ccc(N(C)C)cc1 1874249802 LLWQWTXUGFKHOF-YZSQISJMSA-N 449.624 5.215 30 10 IKEE Fc1cccc(CSc2nnc(COc3ccccc3Cl)n2/N=C/c2ccc[nH]2)c1 1874266365 UGYBDIGKPIHMEU-BRJLIKDPSA-N 441.919 5.152 30 10 IKEE CCOc1ccc(/C=N/n2c(CCc3ccc(Cl)cc3)nnc2SCC)cc1OC 1874283122 PSAFOYLUONOAHL-BUVRLJJBSA-N 444.988 5.118 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2ccccc2)n1/N=C/c1cccc(O)c1 1874300813 UOJDMNDOXHVAQW-CVKSISIWSA-N 444.560 5.354 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3cccc(C)c3)n2/N=C/c2cccs2)cc1 1874302765 PBAQMVLJNBSCLX-PCLIKHOPSA-N 448.617 5.812 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3C)n2/N=C/c2ccncc2)cc1C 1874319673 CUGYZUIQFIZFGT-JFLMPSFJSA-N 443.576 5.352 30 10 IKEE C=CCSc1nnc(CCc2ccccc2C)n1/N=C/c1ccc(OCCCCC)cc1 1874361903 CKLAHXWPGCRRBB-NHFJDJAPSA-N 448.636 6.101 30 10 IKEE Cc1cccc(/C=N/n2c(CCc3ccccc3C)nnc2SCc2ccccc2)c1 1874362702 SAPKONUTLZLSJW-OVVQPSECSA-N 426.589 5.855 30 10 IKEE Fc1ccc(CSc2nnc(Cc3ccccc3F)n2/N=C/c2cccc(F)c2)cc1 1874373180 AWVCUYLGVORTKF-MZJWZYIUSA-N 438.478 5.461 30 10 IKEE CCc1ccc(/C=N/n2c(COc3ccccc3)nnc2SCc2ccccc2C)cc1 1874382799 JCJPEEHZWJLCQX-WPWMEQJKSA-N 442.588 5.902 30 10 IKEE Cc1ccc(CSc2nnc([C@@H](C)c3ccccc3)n2/N=C/c2cccc(F)c2)cc1 1874391517 JXHIWNXQBDWOAO-FQNOVECQSA-N 430.552 6.052 30 10 IKEE C=CCSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874399636 AUBWLSGEVHNRFQ-CYGNYLSHSA-N 427.917 5.152 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3)n2/N=C/c2cccc(O)c2)c1 1874403602 INLIYQKMZZJJJB-WPWMEQJKSA-N 442.588 5.560 30 10 IKEE Clc1ccccc1CSc1nnc(CC2CCCCC2)n1/N=C/c1ccccc1 1874408118 HRNAYQVECMTPNG-PCLIKHOPSA-N 425.001 6.229 30 10 IKEE Cn1cccc1/C=N/n1c(SCc2ccc(Cl)cc2Cl)nnc1-c1cccs1 1874424602 TXBYJTPCQRDVAW-SSDVNMTOSA-N 448.404 5.826 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1cc(Cl)ccc1O 1874440811 UWJSPMNCOZVMNA-WYMPLXKRSA-N 449.407 6.054 30 10 IKEE Brc1cccc(/C=N/n2c(SCc3ccccc3)nnc2[C@@H]2CCCO2)c1 1874446116 SXIQEAOYDAZQRA-ZFJBLLOBSA-N 443.370 5.067 30 10 IKEE Oc1cccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2[C@H]2CCCO2)c1 1874449014 QJEWOKALZXQPDM-TYLRVVQJSA-N 449.363 5.317 30 10 IKEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2C2CCCC2)c1 1874452422 UZNRPXQAYIQHEZ-CVKSISIWSA-N 447.608 5.474 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc(C(C)(C)C)cc1 1874478893 XLRZPRMAWJEDJO-WGOQTCKBSA-N 441.044 6.746 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1cc(Cl)ccc1O 1874479847 UYAONGROISQROD-FSJBWODESA-N 435.380 5.808 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C(C)(C)C)cc1 1874486031 YDHPVLKKSAMZKU-MFKUBSTISA-N 443.016 6.192 30 10 IKEE Fc1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2Cl)nnc1C1CCC1 1874497586 QHIWQZZGHZBPPO-BHGWPJFGSA-N 435.355 6.166 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccc(O)cc1O 1874508484 GCHVHIUPPGDENN-LSHDLFTRSA-N 437.352 5.123 30 10 IKEE CC(C)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1cccc2ccccc12 1874512038 IWJKRKDUAAFPME-ZVHZXABRSA-N 431.521 5.637 30 10 IKEE Cn1cc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CC2)c2ccccc21 1874520929 RZHRANIVWJXVDF-JFLMPSFJSA-N 437.572 5.975 30 10 IKEE CCCCOc1ccc(/C=N/n2c(C)nnc2SCc2cccc(F)c2)cc1OCC 1874530953 JVGJYWAMXLHRMS-MFKUBSTISA-N 442.560 5.478 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(C)nnc2SCc2ccccc2F)cc1OC 1874532365 FQWNGLAWGFQHHN-MFKUBSTISA-N 442.560 5.478 30 10 IKEE Sc1nnc(Cc2cccs2)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874560964 YCZITYQHXHYGPF-YDZHTSKRSA-N 440.981 5.334 30 10 IKEE Cc1ccc(Cc2nnc(S)n2/N=C/c2cccc(OCc3ccc(F)cc3)c2)cc1 1874561121 FAZOKICJUDXPOZ-CVKSISIWSA-N 432.524 5.066 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2c(OCc3cccc(C)c3)ccc3ccccc23)c1 1874581090 WMTNMINFVBDYNZ-BUHFOSPRSA-N 438.523 6.641 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2c(C)cccc2C)cc1F 1874582419 NGDYNTSUXPZHLS-ACCUITESSA-N 433.479 5.365 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCc2c(F)cccc2Cl)c(OC)c1 1874587874 IYJSOGZSPHUQHY-JLHYYAGUSA-N 426.871 5.971 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Br)ccc2OCCCO)c2ccccc12 1874591820 DNNRHGMCLFAPEA-JXMROGBWSA-N 441.321 5.268 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OCc1nc(O)c2ccccc2n1 1874594894 ISVXDQXTQCIFEQ-ZRDIBKRKSA-N 446.890 5.473 30 10 IKEE O=C(/C=C/c1ccc(OCCc2ccccc2)c(Br)c1)c1ccc(F)cc1F 1874611623 NUJLTUYWEXTRBC-UXBLZVDNSA-N 443.287 6.245 30 10 IKEE CCCNC(=O)COc1c(Cl)cc(/C=C/C(=O)c2cc(C)ccc2C)cc1OCC 1874618287 SUVVGIQGXOBYTB-MDZDMXLPSA-N 429.944 5.157 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OCc3cccc(Cl)c3)c([N+](=O)[O-])c2)ccc1F 1874618671 NDIWBAAENLLUSX-WEVVVXLNSA-N 425.843 6.171 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OCC(=O)Nc1ccccc1F 1874619067 IECBGBPPGNPANG-PKNBQFBNSA-N 449.478 5.065 30 10 IKEE C=C(C)COc1c(Br)cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1OC 1874629248 TVKMMSJGDREDBY-CMDGGOBGSA-N 443.381 6.542 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2Cl)cc1 1874631562 JGUIFDVIWMJEPX-MDWZMJQESA-N 447.962 6.433 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cccc(OC)c3)c2)cc1 1874700104 BGKCEASPNSALTM-RIYZIHGNSA-N 432.472 5.218 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OC(=O)Cc1ccccc1[N+](=O)[O-] 1874703596 XIAMYJIVLLFLOQ-ZRDIBKRKSA-N 445.471 5.264 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)c2)c1 1874706152 RYEVMVIYRBCTBX-NTEUORMPSA-N 444.527 6.117 30 10 IKEE COc1cccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)cc3OC)c2)c1 1874714250 LVZWHUFJYNXVEB-GXDHUFHOSA-N 446.499 5.147 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2cccc(OC)c2)CSc2nnc(C3CCC3)n21 1874879946 AMPCRAOKNBVLLX-NRFANRHFSA-N 442.629 5.616 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)ccc1OC(=O)Cc1ccc(C)cc1 1875103212 OLXWFBRQOWCIFF-FOWTUZBSSA-N 428.528 6.000 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(Br)c1OC(=O)CC 1875103359 VVQCDLXPAUIWGP-FMIVXFBMSA-N 431.326 5.622 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc(F)c2)cc1)c1ccc(Br)cc1 1875108681 APXMXSHCKNKVDY-AWNIVKPZSA-N 425.253 5.704 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1)c1ccccc1Cl 1875112076 XDZZNDVSOOMFCT-YRNVUSSQSA-N 446.886 5.602 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(OCC(C)C)cc2)cc1 1875118190 POZZRLZMQKJWCU-LICLKQGHSA-N 430.500 5.845 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc(Cl)c3)cc2Cl)cc1C 1875121221 FNJAUGWPDWAVIE-JXMROGBWSA-N 425.311 6.726 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC(=O)c1cccc(OC)c1 1875122659 SYCLLDXCOHKSOK-YRNVUSSQSA-N 438.426 5.487 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)c1ccccn1 1875140873 CACMARYUVPJIPJ-RMKNXTFCSA-N 425.843 5.306 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)CCCSC 1875175135 ZXDGFRPEJSKYPO-PKNBQFBNSA-N 446.996 6.300 30 10 IKEE C[C@H](C(=O)N1CCC[C@@H](COc2cc(C#N)ccn2)C1)c1ccc(-c2ccccc2)c(F)c1 1891452350 YEWAMPBJEUEWNH-PZJWPPBQSA-N 443.522 5.180 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)C1(NC(=O)OC(C)(C)C)CC(C(F)F)C1 1922107303 KVDHUFCLYTZUOM-ITGJCUMNSA-N 438.559 5.066 30 10 IKEE C[C@@H]1C[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)OC(C)(C)C 1929950111 PSJGLRULVXUBJB-MPCDZSKCSA-N 443.588 5.351 30 10 IKEE C=C(C)CCNc1cc(Br)c(I)c(Br)c1 1931650179 OHHMICKBFYOQLX-UHFFFAOYSA-N 444.936 5.194 30 10 IKEE CCCCCCCC[C@H](O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997449501 SXODUQKYHDBQKF-JYFHCDHNSA-N 433.633 5.942 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@H](C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2021498519 WAJGHWUJOHEOIC-OALUTQOASA-N 435.609 5.484 30 10 IKEE Cc1cc(Br)c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)s1 2029267588 LQNUCBGMIFHFBH-OAHLLOKOSA-N 441.778 6.479 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(Br)ccc(Cl)c1F 2037657417 RTZTXZZGKATCEE-CJNGLKHVSA-N 435.765 5.362 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C2(CC2)C1 2065973203 LSLWAGNVGJYZIC-DEOSSOPVSA-N 445.535 5.251 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C12CCCCC2 2072201998 KNEZILFDSVXJMR-JOCHJYFZSA-N 448.568 5.140 30 10 IKEE CCOC(=O)c1c(C2CCC2)nn(Cc2cc(C(F)(F)F)ccc2F)c1C(F)(F)F 2079060655 KJPNIKCCMFYLEC-UHFFFAOYSA-N 438.343 5.552 30 10 IKEE CC1([C@H](c2ccc(C(F)(F)F)c(F)c2)n2nc(C(F)(F)F)c(C=NO)c2Cl)CC1 2079846017 WXNOVAVGADCRBB-ZDUSSCGKSA-N 443.750 5.911 30 10 IKEE COc1ccc([C@@H](C2CCC2)n2nc(C(C)C)c(C#N)c2I)c(C)c1 2079857980 JDJKREWNJVVWAQ-LJQANCHMSA-N 449.336 5.189 30 10 IKEE CC(=O)Oc1ccc([C@@H](n2nc(C(C)(C)C)c(C#N)c2Br)C2(C)CC2)cc1 2080079732 LBRJRHVQOVRQIX-GOSISDBHSA-N 430.346 5.130 30 10 IKEE Cc1nn(-c2ccccc2)c2c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)C2 2080385696 YCIKCYNHAIIRCV-JECJHWOISA-N 435.483 5.695 30 10 IKEE Fc1ccc(-c2c(C(F)(F)F)nn(C3CCCC3)c2Br)c(C(F)(F)F)c1 2080802282 ZTAWECTYXMAKMQ-UHFFFAOYSA-N 445.176 6.604 30 10 IKEE Fc1cc(-c2c(C(F)(F)F)nn3c(Cl)c4c(nc23)CCCCC4)c(F)c(F)c1F 2081353241 DNAUSXOUKJSKOL-UHFFFAOYSA-N 437.746 5.894 30 10 IKEE N#Cc1cnc2c(-c3ccc(C(F)(F)F)c(Br)c3)c(C3CC3)nn2c1Cl 2081434119 RUHRFXVHEKARLX-UHFFFAOYSA-N 441.638 5.580 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Br)c(Cl)c1F 2089288956 LUONDAYGUYHEFL-PBHICJAKSA-N 447.776 5.199 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(Br)ccc(Cl)c1F 2098957529 YRPMFTFQSNRZFH-WMLDXEAASA-N 449.792 5.752 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1cc(Br)cc(C(F)(F)F)c1 2115771710 LZHSTJMYDKTVGG-LJQANCHMSA-N 428.292 5.892 30 10 IKEE CC1(C)CCC([C@](C)(C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)CC1 2158488518 GXBFTJFJLDGMHR-QFIPXVFZSA-N 435.406 6.689 30 10 IKEE CO[C@@H]1CC(F)(F)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2162037965 YINWHHNJFTVLBC-CRAIPNDOSA-N 445.304 5.287 30 10 IKEE CCC[C@H]1CCOCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2165342214 DGTOWFJIWMTZMX-HRAATJIYSA-N 437.378 5.680 30 10 IKEE CCCN(c1cc(Br)cc(C#N)c1)C1CCC(NC(=O)OC(C)(C)C)CC1 2174808713 RBCAUDBRGOLDFH-UHFFFAOYSA-N 436.394 5.373 30 10 IKEE N#Cc1cc(F)c(Nc2ccc(Cl)c(I)c2Cl)cc1Cl 2177387655 LGAPHLWYLSZHGO-UHFFFAOYSA-N 441.458 6.006 30 10 IKEE CC#CCCCC[C@@H](NCCC)c1ccc(Br)cc1I 2207270476 BKNSLKZSTMLBBA-QGZVFWFLSA-N 448.186 5.678 30 10 IKEE C=CCCCCC[C@H](O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229102876 PVBZGDGURJGAIL-MOPGFXCFSA-N 426.395 5.382 30 10 IKEE CCCCCCCC[C@H](C)Nc1ccc(Br)c(I)c1 2231923843 NWBGQSJXFYDWSQ-ZDUSSCGKSA-N 438.191 6.605 30 10 IKEE CCN[C@@H](C#Cc1cccc(Cl)c1)c1cc(Br)sc1Br 2239455964 FMMBHKRHORGAJZ-ZDUSSCGKSA-N 433.596 5.629 30 10 IKEE CCCCCCCCCOc1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2239496960 CRAYSGLSLFZHDV-UHFFFAOYSA-N 426.204 5.273 30 10 IKEE C=CCCCOc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C(=O)O)c1 2243587040 ZVXUGOXNYNRYQC-UHFFFAOYSA-N 443.499 6.091 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@H](NC(=O)OCc1ccccc1)c1ccccc1 2243597663 YTQQSAKELTYNSI-KAYWLYCHSA-N 444.575 5.405 30 10 IKEE C=CCCC1([C@@H](O)c2cc(Br)cc(C(C)C)c2)CN(C(=O)OC(C)(C)C)C1 2280950746 VHJJMGBOIOCDGK-IBGZPJMESA-N 438.406 5.809 30 10 IKEE C=CCCC1(C(=O)Nc2ccc(CC)cc2Br)CN(C(=O)OC(C)(C)C)C1 2281051022 PSQCKYBGJCCUHB-UHFFFAOYSA-N 437.378 5.153 30 10 IKEE CN(C(=O)OC(C)(C)C)[C@H](CNc1c(Br)cccc1C#N)c1ccccc1 2285238129 ORCQCTNGHXJJAB-GOSISDBHSA-N 430.346 5.341 30 10 IKEE C=C(COCc1ccccc1)[C@](C)(OCCC(=O)O)c1ccc(F)cc1Br 2291122720 XHPOPZXHWGNOPW-NRFANRHFSA-N 437.305 5.068 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc(CC[C@H](O)C#Cc2cccc(Br)c2)c1 2296224409 JRPQHZNWWAEREY-HXUWFJFHSA-N 430.342 5.141 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C#Cc1ccc(Br)cc1)NCCC 2296304231 DXLSQUGEDMFBSS-WOJBJXKFSA-N 435.406 5.028 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C 2296308180 DVYFCLZXEQMKOA-MOPGFXCFSA-N 437.422 5.108 30 10 IKEE O=C(Oc1ccc(F)cc1C(=O)C=Cc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 2296761477 OOVWIWHLUZYJGQ-UHFFFAOYSA-N 425.799 5.503 30 10 IKEE CCOc1ccc(N=C2SC(=C3Sc4ccc(OC)cc4N3C)C(=O)N2CC)cc1 2297707701 BEYKCGNJBYZSGH-UHFFFAOYSA-N 441.578 5.088 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(=C(O)c3ccc(F)cc3)C(=O)C(=O)N2c2nccs2)cc1 2297741296 BDMQWHROPODKCK-LJQANCHMSA-N 436.508 5.206 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 2302797197 YJCGIINLSAQFSH-IPMKNSEASA-N 449.979 5.667 30 10 IKEE CC(C)c1ccc(C=C2Oc3cc(OCc4ccc(Br)cc4)ccc3C2=O)cc1 2314438474 ULZSRKICQHYUIT-UHFFFAOYSA-N 449.344 6.768 30 10 IKEE O=C1NC(=NN=Cc2ccco2)SC1=Cc1ccc(-c2cccc(Cl)c2Cl)o1 2314482193 ASFJUIYHAKWZQP-UHFFFAOYSA-N 432.288 5.440 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Cl)cc(Br)c1F 2315459033 SRTBOOKMGAAGJM-HOCLYGCPSA-N 435.765 5.362 30 10 IKEE CCCOc1ccc(C=Nn2c(CC)nnc2SCc2cccc(C)c2)cc1OCC 2318573930 AUPLJQNLCQUVLL-UHFFFAOYSA-N 438.597 5.511 30 10 IKEE Clc1cccc(CSc2nnc(C3CC3)n2N=Cc2ccc(Br)cc2)c1 2320885550 SRSHNBDOEGTYBC-UHFFFAOYSA-N 447.789 5.746 30 10 IKEE C=Cc1ccc(COc2ccc3c(c2C)OC(=Cc2ccc(-c4ccccc4)cc2)C3=O)cc1 2321869585 MRJHKZKXMBOJNC-UHFFFAOYSA-N 444.530 7.500 30 10 IKEE COc1cc(C=Nn2c(S)nnc2C2CC2)ccc1OCc1ccc(C(C)(C)C)cc1 2321884321 GNRQDFGVRUJRSI-UHFFFAOYSA-N 436.581 5.212 30 10 IKEE CCCOc1ccccc1C=Nn1c(S)nnc1COc1cc(C)c(Cl)c(C)c1 2322234422 OHQFBDKITXMERM-UHFFFAOYSA-N 430.961 5.087 30 10 IKEE CCCCCCN1COc2c(cc3c(c2C)OC(=Cc2ccc(C(=O)OC)cc2)C3=O)C1 2322368873 QEUUAGOYWLEEBQ-UHFFFAOYSA-N 435.520 5.130 30 10 IKEE COc1cccc(C=C2Oc3c(cc4c(c3C)OCN([C@@H]3CCCC[C@@H]3C)C4)C2=O)c1OC 2322391663 ORGKQXNMWKEVLL-HRAATJIYSA-N 449.547 5.359 30 10 IKEE O=C(COc1ccc2ccccc2c1C=CC(=O)c1ccc(F)cc1)NCc1ccco1 2322748066 NXSAZASYUGMXAM-UHFFFAOYSA-N 429.447 5.163 30 10 IKEE CCCN(CCC)C(=O)COc1cccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)c1 2323149649 AHFRVFMNIJSSIH-UHFFFAOYSA-N 434.363 5.917 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1OCc1ccc(Cl)c(Cl)c1 2323230375 QQQGKLXPHCPWLN-UHFFFAOYSA-N 449.280 6.755 30 10 IKEE Cc1ccc(COc2ccc(C=CC(=O)c3cccc(Cl)c3)cc2Br)cc1 2323766825 FSKDDXRZAYXEEO-UHFFFAOYSA-N 441.752 6.886 30 10 IKEE O=C(C=Cc1ccc(OCc2c(F)cccc2Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 2323790834 OBWGHDDSANYOFK-UHFFFAOYSA-N 446.261 6.516 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OC(=O)c3cccc(OC(=O)C(C)C)c3)ccc2C1=O 2323909126 RUHQEEXOCGYJIU-UHFFFAOYSA-N 448.496 5.453 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)OCC(C)C)c(OCC)c2)cc1 2323934197 VKRUDLMKVIZIRX-UHFFFAOYSA-N 440.536 5.348 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OCc3ccc(F)cc3)c(Br)c2)c1 2323946221 CQTFMSUIMYSFLA-UHFFFAOYSA-N 439.324 6.680 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OCC(=O)OCC(C)C)c(Br)c2)ccc1F 2323972122 RCEOCSZEQHSGOQ-UHFFFAOYSA-N 449.316 5.371 30 10 IKEE CN(Cc1c(O)ccc2c1OC(=Cc1c(Cl)cccc1Cl)C2=O)C1CCCCC1 2324074644 OLNUUOXQORGHCK-UHFFFAOYSA-N 432.347 6.080 30 10 IKEE C=CCOc1c(Br)cc(C=CC(=O)c2ccc(OC)c(F)c2)cc1OCC 2324120617 CPHYHFKTGXOYGM-UHFFFAOYSA-N 435.289 5.456 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc(Cl)c2)c(Cl)c1)c1cccc2ccccc12 2324129647 OKNYDYBKYYBZLZ-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1ccc(C)o1)C2=O 2324339410 YNTDVQOTQJPTLO-KRWDZBQOSA-N 431.488 5.481 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3)c(Cl)c2)c(OCC)c1 2324493776 ASVGFBUNCCZUJX-UHFFFAOYSA-N 436.935 6.613 30 10 IKEE COc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3cc(C)ccc3OC)cs2)c(OC)c1 2324572446 IEBMWOKQNWMWON-LJQANCHMSA-N 434.517 5.034 30 10 IKEE CCCOc1c(Br)cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1OC 2324583922 SOESMVRELQGUMZ-UHFFFAOYSA-N 445.397 6.749 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OCCC(=O)Nc4ccccc4)c3C)C2=O)cc1 2325485958 SXSLHXFFSDAPGL-UHFFFAOYSA-N 427.500 5.581 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1cccc(O)c1 2325535631 XSMNGQYCJDSNPZ-UHFFFAOYSA-N 435.380 5.808 30 10 IKEE CC(=O)c1ccccc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc(C)cc1)C2=O 2325571576 GZEJPELLNVIAQM-UHFFFAOYSA-N 441.483 5.140 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2Cl)cc1OC(=O)c1ccc2c(c1)OCO2 2325717152 BRJPKHPQYRQLGD-UHFFFAOYSA-N 436.847 5.193 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OC(=O)Cc1cccc2ccccc12 2325737487 PBSJSVHQUBEZPO-UHFFFAOYSA-N 436.507 6.201 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3ccc(C)c(C)c3)c2)cc1 2325739341 GHVDOHZDKZWZRV-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC)c3ccccc23)cc1OC(=O)c1cccnc1 2325775117 PVMMOIWJVWXZLU-UHFFFAOYSA-N 439.467 5.367 30 10 IKEE CCOc1cc(C=Nn2c(C)nnc2SCc2ccc(C)cc2C)ccc1OC(C)C 2326432982 FWJJNBCWJYGCOE-UHFFFAOYSA-N 438.597 5.564 30 10 IKEE CCCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1cccc([N+](=O)[O-])c1 2327296619 KNAORMWERLWFCK-UHFFFAOYSA-N 439.541 5.075 30 10 IKEE CCCSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccc(C(C)(C)C)cc1 2327880764 XDTBOUXVVPRVLU-SFHVURJKSA-N 441.645 5.074 30 10 IKEE C=CCSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1ccc(Cl)c(Cl)c1 2328796535 TUWTUOKLVQLNSK-UHFFFAOYSA-N 447.391 5.941 30 10 IKEE C=CCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1c(Cl)cccc1Cl 2329112701 LNTXCZINLDRSMZ-UHFFFAOYSA-N 437.783 5.989 30 10 IKEE Cc1cccc(C=Nn2c(SCCc3ccccc3)nnc2[C@@H](C)c2ccccc2)c1 2330111122 UAIGQNZPZUHJCC-NRFANRHFSA-N 426.589 5.955 30 10 IKEE CCCOc1c(C=Nn2c(SCCC)nnc2[C@H](C)c2ccccc2)cccc1OC 2330125139 GOPTZKMDGPBWRZ-GOSISDBHSA-N 438.597 5.612 30 10 IKEE Cc1ccsc1C=Nn1c(CC2CCCCC2)nnc1SCc1cccc(Cl)c1 2330290160 ZBLMAFSKLXKMMV-UHFFFAOYSA-N 445.057 6.599 30 10 IKEE CCOc1ccc(C=Nn2c(Cc3cccs3)nnc2SCc2ccccc2C)cc1 2330330439 GVDTXQVMIFNJER-UHFFFAOYSA-N 448.617 5.812 30 10 IKEE Cc1cccc(C=Nn2c(Cc3cccs3)nnc2SCc2ccc([N+](=O)[O-])cc2)c1 2330362014 SDGCVOLUUDWFIX-UHFFFAOYSA-N 449.561 5.322 30 10 IKEE COc1ccccc1C=Nn1c(Cc2ccccc2)nnc1SCCc1ccccc1 2330492796 XTCHGFZHHMALAB-UHFFFAOYSA-N 428.561 5.095 30 10 IKEE O=[N+]([O-])c1cccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2-c2ccccc2)c1 2330684797 HUVQEFSSOLOUEQ-UHFFFAOYSA-N 449.923 5.681 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)CCCSC 2330700714 KBOMJLVDLNHENR-UHFFFAOYSA-N 438.589 5.909 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3ccccc3C)nnc2[C@H]2CCCO2)c1 2330894596 LHHNNCYDVTYLFH-JOCHJYFZSA-N 436.581 5.401 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3F)cc2Cl)cc1C 2331090932 YTVKPCQDXAFNHG-UHFFFAOYSA-N 426.846 6.350 30 10 IKEE Cc1ccc(C)c(OCC(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2[N+](=O)[O-])c1C 2331170171 KGAHKQUKDOYXFX-UHFFFAOYSA-N 445.471 5.401 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)c3ccccc3)c(OC)c2)cc1 2331311898 KIMBAFIRBSZDHR-FQEVSTJZSA-N 444.527 6.089 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3OC)cc2Cl)cc1 2331359072 XYOTZDKZDAKZCA-UHFFFAOYSA-N 434.919 6.335 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 2331411697 CYDMCTDAMSSARU-UHFFFAOYSA-N 446.631 7.782 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCO4)cc2[N+](=O)[O-])c1 2331441071 VBLUGKHTQZYLLW-UHFFFAOYSA-N 445.427 5.056 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] 2331562330 LBHFOIMVCLZIKA-UHFFFAOYSA-N 437.398 5.307 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)C(C)(C)C)c(OC)c2)c(C)c1C 2331612765 YSKNMWRAMPUWPW-UHFFFAOYSA-N 426.509 5.177 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccccc1OC(C)C 2331657813 QZDVLJCADJRLEP-UHFFFAOYSA-N 444.604 6.346 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCC(=O)Nc3ccc(F)cc3)nnc2C(C)C)cc1 2331682805 BJAKYFJZCSQPBI-UHFFFAOYSA-N 439.560 5.277 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OCC)cc2OCC)cc1Cl 2331734356 SYBIGOIHBHDJFX-UHFFFAOYSA-N 430.928 6.129 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cc(Cl)ccc3OC)cc2)cc1 2331872705 JMYLUZCIOHMNSP-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE CC1(C)C[C@H](N(Cc2ccccc2)c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CO1 2339585712 SZGRRTNPZHGEHK-QFIPXVFZSA-N 434.389 5.300 30 10 IKEE N#Cc1cc(Cl)ccc1NCc1ccc(I)c(Br)c1 2349858718 PUVJOPJCHLLVBU-UHFFFAOYSA-N 447.501 5.191 30 10 IKEE C=CCOc1ccc(/C=C2/N=C(c3cc(F)c(F)cc3Cl)OC2=O)cc1OCC=C 2080971 XJNSOQAZJDGWSF-GIJQJNRQSA-N 431.822 5.092 30 10 IKEE N#Cc1c(-c2ccccc2)cc(Nc2cccc(C(F)(F)F)c2)n2c1nc1ccccc12 5544055 FIHHQRUFLJZGCH-UHFFFAOYSA-N 428.417 6.789 30 10 IKEE CC(C)(C)c1cc(/C=N/[C@@H](c2ccccc2)[C@@H](O)c2ccccc2)c(O)c(C(C)(C)C)c1 6995582 IXZSHYIACBWIFQ-CLIJOMONSA-N 429.604 6.881 30 10 IKEE COc1ccc([C@@H]2c3sc4c(c3CCN2Cc2cccc(C#N)c2)CCCC4)cc1OC 9527720 MEVYVKHPAZZMDA-AREMUKBSSA-N 444.600 5.663 30 10 IKEE CCc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(C)c(Br)c2)cc1 21223156 FOQBBRFEHHWOBC-OALUTQOASA-N 438.365 5.324 30 10 IKEE CCc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(C)c(Br)c2)cc1 21223159 FOQBBRFEHHWOBC-MOPGFXCFSA-N 438.365 5.324 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(Cl)c(Cl)c2)C3)cc1 21226839 FHSQMYYMKIYIOU-AEFFLSMTSA-N 444.358 5.787 30 10 IKEE COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)c1OC 21245206 PRBZTUZTOBNENM-QUGAMOGWSA-N 444.506 5.822 30 10 IKEE Cc1ccc(N/C(=N\C(=O)c2ccc(C(C)(C)C)cc2)NCc2c(C)nn(C)c2C)cc1 32972319 PFSPAYQZGIUMQZ-UHFFFAOYSA-N 431.584 5.041 30 10 IKEE CCCN1C(=O)/C(=C\c2ccc(OCC)c(OC)c2)S/C1=N/c1ccc(OCC)cc1 33293845 SKXGJPMPICTUNM-XAFFKLEKSA-N 440.565 5.507 30 10 IKEE Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)/C=C\c1ccc(Oc2ccccc2)cc1 33372059 SHZYKXMHXZSLLZ-SXGWCWSVSA-N 431.944 7.460 30 10 IKEE COc1ccc(/C=C2/Oc3cc(OCc4ccc(F)cc4Cl)ccc3C2=O)c(OC)c1 33850440 RQVBOYVJJZCQLX-NUGSKGIGSA-N 440.854 5.692 30 10 IKEE COc1cccc(COc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2Cl)C3=O)c1 38321040 HUNKOCVBOSKWIZ-YVNNLAQVSA-N 427.283 6.197 30 10 IKEE C=CCOc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccccc2)cc1 39874024 OGWVQUFTGGHYSN-HSZRJFAPSA-N 443.886 5.761 30 10 IKEE C=CCc1ccccc1OCCCCn1c(CNC(=O)C2CCCCC2)nc2ccccc21 40188512 IKFBOWFNIIFUCR-UHFFFAOYSA-N 445.607 5.821 30 10 IKEE COc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN([C@H](C)c3ccccc3)C4)C2=O)cc1 41587491 SJWGDXGCRYQVQC-WTZXFZKGSA-N 427.500 5.533 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(N(C)C)cc1)O3)CN(Cc1cccs1)CO2 41651595 YZIMTORLSSHSEL-UUYOSTAYSA-N 432.545 5.091 30 10 IKEE O=C1/C(=C/c2ccc(-c3ccccc3)cc2)Oc2c1ccc1c2CN(Cc2ccccn2)CO1 41660950 RIBJSODDSBSNJJ-YUMHPJSZSA-N 446.506 5.717 30 10 IKEE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(C(C)(C)C)cc1 59265632 AJIMCTCUFWDYJT-UHFFFAOYSA-N 449.624 5.413 30 10 IKEE Cc1ccccc1/C=N/c1cc2c3c(c1)[C@@H](c1ccccc1)CCN3CC[C@@H]2c1ccccc1 59506181 ADUWLHJXDRIDLW-BLHXJHLBSA-N 442.606 7.623 30 10 IKEE CC(=N\OC(=O)Nc1c(C)cc(C)cc1C)/C(C)=N/OC(=O)Nc1c(C)cc(C)cc1C 96557919 MHTREIHYARNRFW-MKYUKRCKSA-N 438.528 6.086 30 10 IKEE CCCCCCCCCCCn1c(CCNC(=O)COc2ccccc2)nc2ccccc21 102141988 OTOIEQWUVMNARU-UHFFFAOYSA-N 449.639 6.305 30 10 IKEE CCCCCCCCCCCn1c(CCCNC(=O)c2cccc(C)c2)nc2ccccc21 102151019 AMWONQNFBWPIEQ-UHFFFAOYSA-N 447.667 7.238 30 10 IKEE O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@@H](c2ccccc2)/C1=C(/O)c1cccs1 102904482 XZXPLAAQCYRUHG-VZCCSQPZSA-N 436.489 5.123 30 10 IKEE CCCCCCCCCCCCCC(=O)N(CC(=O)Nc1cc(C)on1)C[C@@H]1CCCO1 103000676 CSBDKMOBKAWYRC-QFIPXVFZSA-N 449.636 5.630 30 10 IKEE O=C1C(=C2SC(c3ccccc3)=C(c3ccccc3)S2)CCC/C1=C/c1ccccc1 103042833 JXZLOGWPZAUTDI-NMWGTECJSA-N 438.617 8.041 30 10 IKEE CCOc1c(Cl)cc([C@@H]2NC(=S)N(CC)C(C)=C2C(=O)c2ccccc2)cc1Cl 169932128 QJIPXLNKSKYTSE-IBGZPJMESA-N 449.403 5.800 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2cccc(C)c2)c1 169966432 HBUFCWYQEFKTRU-RUZDIDTESA-N 441.527 5.793 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@@H]1c1ccc(OC(C)C)cc1 169979076 JCQLGTXYSQFJJD-VWLOTQADSA-N 435.564 5.561 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccccc2)cc1 170049024 QXNIKSALHVOURN-HHHXNRCGSA-N 447.534 6.746 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccccc2)cc1 170052682 ZFVXZMSGTJUHFD-SANMLTNESA-N 449.506 6.021 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(C(C)C)cc2)cc1 170068128 OTAWHXKIXZARBR-DEOSSOPVSA-N 426.516 5.292 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2C)c1 170086764 XROCGDFITAWKHO-HSZRJFAPSA-N 447.918 5.830 30 10 IKEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccco2)cc1 170097065 DNAZKXPBIZRWGA-QHCPKHFHSA-N 431.488 5.074 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(OC)cc1 170116683 OXIBMZFTMBQUKK-HXUWFJFHSA-N 448.346 5.771 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccc(C)c2)cc1Cl 170141655 KCXBDRUTCHYACR-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@@H]2c2cccs2)c1 170156696 JCROUKWSCWMTJP-QHCPKHFHSA-N 447.556 5.935 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2cccs2)c1 170158403 YUKIFKBGJKWTDX-DEOSSOPVSA-N 439.536 6.301 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1cccs1 170161661 HILQNLWATQPNNR-NRFANRHFSA-N 449.915 6.239 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2OCC)[C@@H]1c1cccs1 170165584 JFUCQOSFSYOBNL-NRFANRHFSA-N 443.565 5.314 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)c(C)c2)[C@@H]1c1ccc(F)cc1 170243926 KCGAREOQQSWAQS-QHCPKHFHSA-N 439.527 5.691 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2OC)[C@@H]1c1ccc(CC)cc1 170268228 RDHHXRRLJMOJBP-QHCPKHFHSA-N 437.536 5.035 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2C)c1 170272521 GZFVCJKFQVDSDN-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@@H]1c1ccc(C)o1 170309228 PWKLDIOVISFPPU-NRFANRHFSA-N 425.525 5.273 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2sccc2C)c1 170314164 XQSSHONEJMVHLV-QFIPXVFZSA-N 447.556 5.937 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(OC(C)C)cc2)c1 170346564 RTHONAMYIXNXPM-XMMPIXPASA-N 443.499 5.265 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(Cl)cc2)c1 170365239 OFWYHTDDHAWFOQ-QHCPKHFHSA-N 447.918 5.830 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1)c1ccccc1 170376684 LIDHZQIYOPMSBA-FQEVSTJZSA-N 442.273 5.915 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cccc(OC(F)(F)F)c2)o1 170401041 BTBLIXVLQADFHG-KRWDZBQOSA-N 449.406 5.331 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2c(C)[nH]c3ccccc23)cc1 170403715 QFFSFQKFSZLVFI-HSZRJFAPSA-N 426.472 5.415 30 10 IKEE CCCCCCCCCCCn1c(CNC(=O)/C=C/c2ccccc2)nc2ccccc21 205708215 YGMHPCGBLMRIIP-QZQOTICOSA-N 431.624 6.897 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(F)c(Br)c1)NCCC 406712684 PUIBTUXTMVLHIA-MOPGFXCFSA-N 443.401 5.358 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(C)o2)cc1Cl 526490845 IKWITLWGKBBCNR-QFIPXVFZSA-N 434.879 5.569 30 10 IKEE CCc1nnc(SCc2cccc(C)c2)n1/N=C\c1ccc(OC)c(Br)c1 526808253 QETHHEUGBAPJJL-UUYOSTAYSA-N 445.386 5.095 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1ccc(C(F)(F)F)cc1 526809412 KIYPKZWRJGUYTG-ZMFRSBBQSA-N 432.515 6.041 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1c(O)ccc2ccccc12 526818953 INQHLOYUOPTDCT-YUMHPJSZSA-N 444.604 6.271 30 10 IKEE CCCCOc1cccc(/C=N\n2c(CC)nnc2SCc2ccc([N+](=O)[O-])cc2)c1 526828435 CWVJLRVAHJPGEO-HAHDFKILSA-N 439.541 5.102 30 10 IKEE COc1ccc(C)cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)c(Cl)c1 586244848 JVTAJZVIVKXLMK-UHFFFAOYSA-N 444.915 5.063 30 10 IKEE C=CCN(CC=C)C(=O)Nc1cccc(C(=O)N(Cc2ccccc2)c2ccccc2)c1 586654454 UVRANTQNDIXEAS-UHFFFAOYSA-N 425.532 5.740 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@H](C#N)c1ccc(I)cc1 698418058 LCPNZJQBWWOBAL-QGZVFWFLSA-N 440.325 5.426 30 10 IKEE CC(C)[C@@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Br)CC1 698456245 MNYNKYPENNIYKM-VGOFRKELSA-N 435.406 6.689 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)CN(C(=O)OC(C)(C)C)C(C)(C)C)cc1 698893964 WPQMWTSZUGANMZ-SFHVURJKSA-N 447.576 5.364 30 10 IKEE C[C@H]1N(Cc2ccccc2)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 698945414 NHJHOERWIIWMMT-KOSHJBKYSA-N 425.960 5.638 30 10 IKEE CC(=NNc1nc(SCCC(=O)Nc2ccccc2C)n[nH]1)c1ccc2ccccc2c1 1084384503 VNWKBYLWQZMTLK-UHFFFAOYSA-N 444.564 5.223 30 10 IKEE COc1cccc(O)c1C=Nc1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1088718367 KBALAARUOIWJOR-UHFFFAOYSA-N 448.422 6.230 30 10 IKEE C=CC(C)(C)CNC(=O)[C@@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 1436237984 QGCUCPDFOLRXMG-CQSZACIVSA-N 427.595 5.014 30 10 IKEE COC(=O)c1c(C)oc(NC(=O)c2cccc(-c3nc4cccc(C(C)C)c4o3)c2)c1C#N 1859742137 SGZCYKNLCHVEHN-UHFFFAOYSA-N 443.459 5.430 30 10 IKEE CCCOc1cc(-c2nc3ccc(C(=O)Nc4ccccc4C#N)cc3[nH]2)ccc1OC 1861859267 RTXLZWDNEQSYNC-UHFFFAOYSA-N 426.476 5.151 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(N(C)C)cc1 1862381332 XOSRJYCWFGNXBL-XCLFUZPHSA-N 447.362 5.436 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862384655 XEPYLTCUUKDCNP-SFHVURJKSA-N 449.290 5.280 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@@H]1c1ccc(OCC)c(OC)c1 1862394284 KRBGWWOFBMQZJM-DEOSSOPVSA-N 449.547 5.201 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(F)cc2F)=C(O)C(=O)N1CCc1ccccc1 1862411505 JKCWWAPRPABKDP-QHCPKHFHSA-N 433.454 5.094 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1c(Cl)cccc1Cl 1862415705 DMJDSWZIJJHGAC-SFHVURJKSA-N 440.273 5.650 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc(N(C)C)cc2)cc1 1862477878 UMBCIZZEKKQSOA-KUWBRRTOSA-N 432.564 5.218 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(CC)cc1 1862488747 HQTQRMUGJPRLBJ-SANMLTNESA-N 447.619 6.805 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccc(O)c(O)c2)c1 1862489233 SKZCZOVVSRQPAH-MZNJEOGPSA-N 443.499 5.054 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(N(C)C)cc2)c1 1862493039 GQYIOUXBEAVERC-QHCPKHFHSA-N 446.572 5.209 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@H]2c2ccc(C(C)C)cc2)c1 1862493515 RFXALEHHVYSJGN-VWLOTQADSA-N 448.607 5.347 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(OCc2ccccc2)cc1 1862511569 FIEPAIWLJPTQRS-XMMPIXPASA-N 445.490 5.311 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2cccc(OCCC)c2)cc1 1862520712 PZGFMHPCLIMCDG-HSZRJFAPSA-N 435.520 5.005 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1cccc(OC)c1 1862529900 KZOWWWCDVUEECV-DHLKQENFSA-N 449.591 6.195 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862691456 NLKKTGDVAVQIFT-HSZRJFAPSA-N 447.556 5.659 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccc(C)cc2)c1 1862698124 AKUXSQRJYNUJPX-HOYKHHGWSA-N 427.500 5.343 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1cccc(C)c1 1862698912 ODGIQQJFAILPIT-DEOSSOPVSA-N 435.564 5.942 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862704691 GOSMLUNMBXOOQP-QHCPKHFHSA-N 435.564 5.761 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2CC(C)C)c1 1862721677 ILDWKVLFNZKWOU-VWLOTQADSA-N 425.528 5.896 30 10 IKEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@@H]2c2ccc(CC)cc2)cc1 1862733512 SVONGIKYODFZJE-RUZDIDTESA-N 449.591 6.196 30 10 IKEE Cc1ccccc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(OC(C)C)cc2)C1=O 1862988112 BSMVRDBLEZUVHC-UHFFFAOYSA-N 437.499 5.051 30 10 IKEE N#Cc1cccc(NC2=C(c3ccc(Cl)c(Cl)c3)C(=O)N(C3CCCCC3)C2=O)c1 1863283883 APIVEMHBCWYFCN-UHFFFAOYSA-N 440.330 5.390 30 10 IKEE CC(C)CCN1C(=O)C(Nc2ccccc2C#N)=C(c2cc(Cl)ccc2Cl)C1=O 1863393172 JVVQBJVUFYBEOU-UHFFFAOYSA-N 428.319 5.103 30 10 IKEE CCCCCCCCNC1=C(c2ccc(C)cc2)C(=O)N(Cc2ccccc2OC)C1=O 1863614220 QECQFKHEYALNNW-UHFFFAOYSA-N 434.580 5.234 30 10 IKEE CCCCCCCCNC1=C(c2cc(C)ccc2C)C(=O)N([C@@H](C)c2ccccc2)C1=O 1863743366 MKHUZFSHOTWDBW-QFIPXVFZSA-N 432.608 6.095 30 10 IKEE CCCCCCCCCCCC(=O)Nc1c(C(=O)OCC)cnn1-c1ccc(C)cc1 1865986036 JPLGZMUUAQBHAT-UHFFFAOYSA-N 427.589 6.217 30 10 IKEE N#Cc1ccccc1NC(=O)[C@@H](NC(=O)[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccccc1 1867002939 YPGOEDJCFSSULN-RPWUZVMVSA-N 443.934 5.201 30 10 IKEE CCCCCCOc1ccc(C(=O)N[C@@](C)(CC)C(=O)N[C@@H](C#N)c2ccc(C)cc2)cc1 1867569634 SCHXGWLBWLRTTH-IGKIAQTJSA-N 449.595 5.234 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3cc4cccc(C)c4nc32)nc(Cc2ccccc2)n1 1869065653 VMBQTGWRKWSMMA-UHFFFAOYSA-N 447.586 5.797 30 10 IKEE CCCCCCCCCCNC(=O)c1cn(-c2ccc(Br)cc2)c(=O)cc1O 1870132835 CPYZBMQPFVAPKL-UHFFFAOYSA-N 449.389 5.176 30 10 IKEE CCCCN(C)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1Cc1ccccc1Cl 1870348907 QYGWZSUTPPNZJV-UHFFFAOYSA-N 449.982 5.233 30 10 IKEE CCCCCCCCn1cc(OCC)c(=O)cc1CN1CCN(c2ccccc2F)CC1 1870363096 NXAWTNZVKRYPLX-UHFFFAOYSA-N 443.607 5.069 30 10 IKEE C=CCn1cc(OCc2c(C)cccc2C)c(=O)cc1CNc1cc(Cl)cc(Cl)c1 1870920892 ZHFPKJWLFIHQEG-UHFFFAOYSA-N 443.374 6.149 30 10 IKEE CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(Cc2ccccc2)cc1 1871252298 UAGIDSRDXBABJE-UHFFFAOYSA-N 449.554 5.522 30 10 IKEE Cc1cc(C)cc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2Cc2ccccc2)c1 1871252323 VQIAFUFBTXEVDV-UHFFFAOYSA-N 449.554 5.576 30 10 IKEE CC(C)=C1Oc2c(ccc(OC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2C)C1=O 1871377979 ORBUXHIIAAUCAP-UHFFFAOYSA-N 444.327 6.121 30 10 IKEE Cc1cc(O)c(CN2C[C@H](C)O[C@H](C)C2)c2c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O2 1871395001 BJCIPTIQYVJXTJ-AKJJSLRDSA-N 435.564 5.224 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871408313 RICAIUORDLTZIM-IBMPBWGLSA-N 425.484 5.573 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCCOc4cccc(C)c4)ccc3C2=O)c1OC 1871408402 VLTFPEPNGPYTOS-IWIPYMOSSA-N 432.472 5.086 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4cc(Cl)ccc4C)ccc3C2=O)o1 1871414966 YRBGOHHSGIYBKX-SRMCNWIXSA-N 437.879 5.572 30 10 IKEE COc1cccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccc(Cl)cc4)ccc3C2=O)c1 1871415370 YKKUYCLECPWUKO-VRHSPDTKSA-N 449.890 5.371 30 10 IKEE CCCC[C@@H](Oc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O)C(=O)O 1871423697 XMZGCWCBKBTXEY-HPKGMJOESA-N 431.282 5.088 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 1871433041 JZKRFDHBPILJMM-XUVWKZFSSA-N 426.484 5.723 30 10 IKEE CCOCCOC(=O)[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871434053 QHPWBQYPMZPQPY-JYBCESJWSA-N 438.520 5.082 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc(OCC(=O)Nc3ccccc3C(C)C)c2C)C1=O 1871456224 SSYAGUWVNMUBDU-XKZIYDEJSA-N 447.556 6.122 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(CCCC)cc1)C(C)C)S(=O)(=O)c1ccccc1 1871818873 WPNPIEMRZMRENF-XMMPIXPASA-N 442.625 5.259 30 10 IKEE C=CCN([C@H](C)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(=O)(=O)c1ccc(C)cc1 1872207931 PRWBIRVGXJYCBN-OAQYLSRUSA-N 448.588 5.174 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4ccccc4oc3=O)n2)cc1 1872770557 XTZAYAZFQZHVOG-IBGZPJMESA-N 430.485 5.195 30 10 IKEE CC(=O)Nc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 1872787097 AWWRACIEDDDPIM-QGZVFWFLSA-N 444.343 5.494 30 10 IKEE CCOc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1 1872787584 NCEBJPMRERPDFW-JOCHJYFZSA-N 442.540 5.790 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3cccc(Cl)c3)n2)c2ccccc12 1872788606 MFVJEUFHSYKNRA-FKVRIVCVSA-N 444.943 6.515 30 10 IKEE N#C[C@H](C(=O)COc1ccc(Cl)cc1Cl)c1nc(-c2ccc(Cl)s2)cs1 1872789865 XEKYQFUSLWPCJK-SNVBAGLBSA-N 443.764 6.087 30 10 IKEE N#Cc1ccccc1NC(=O)c1ccc2nc(COc3cc(Cl)ccc3Cl)[nH]c2c1 1872804923 RBFBYJPJHDYUAJ-UHFFFAOYSA-N 437.286 5.573 30 10 IKEE CCCCCCCCCCNC1=C(c2cccnc2)C(=O)N([C@H](CC)CCCCC)C1=O 1873077391 XSCLPZQCZXKZLZ-HSZRJFAPSA-N 441.660 6.251 30 10 IKEE N#Cc1nc(-c2ccccc2)oc1N/N=C/c1ccc(OC(=O)c2ccc(F)cc2)cc1 1873470431 HYXCHYMESWTCBX-JFLMPSFJSA-N 426.407 5.018 30 10 IKEE CCCCCCCCCCNC(=O)CCn1ccc2cc(OCc3ccccc3)ccc21 1873935111 IKYQHECEIGIXSD-UHFFFAOYSA-N 434.624 6.867 30 10 IKEE CCOc1cccc(/C=N/n2c(COc3cc(C)c(Cl)c(C)c3)nnc2SC)c1 1874217060 SEFLUQMUVAGRNT-FSJBWODESA-N 430.961 5.130 30 10 IKEE C=CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccc(C(C)(C)C)cc1 1874245170 WJZASRQUNZJYGZ-MTDXEUNCSA-N 448.680 6.495 30 10 IKEE CCCCC1CCC(c2nnc(SCC(=O)NCCC)n2/N=C/c2ccccc2)CC1 1874285366 XPRQBBFWBDQNPG-YZSQISJMSA-N 441.645 5.243 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874287564 LNCZOFBLNGWWOZ-HZHRSRAPSA-N 443.573 5.516 30 10 IKEE COc1ccccc1OCc1nnc(SCc2ccccc2)n1/N=C/c1ccccc1C 1874289852 ADISCMJYQPBBEV-WGOQTCKBSA-N 444.560 5.349 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3F)n2/N=C/c2ccccc2F)cc1C 1874358444 IENQLDINGAJMCN-RWPZCVJISA-N 448.542 5.938 30 10 IKEE CN(C)c1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2Cl)cc1 1874367201 QNOJIENFWBSQSV-WGOQTCKBSA-N 447.995 5.839 30 10 IKEE Clc1ccccc1-c1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc[nH]1 1874368179 YYDKDCKSUMSIKH-JFLMPSFJSA-N 443.963 6.254 30 10 IKEE Oc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccc(Cl)cc2)cc1 1874419090 XZPVOJJOLYOLOO-MFKUBSTISA-N 434.952 5.402 30 10 IKEE Cc1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2cn(C)c3ccccc23)cc1 1874451981 XRKYXIWAGDWXJO-CVKSISIWSA-N 429.593 5.910 30 10 IKEE CCCCc1nnc(SCc2ccccc2C)n1/N=C/c1ccc(Cl)cc1Cl 1874476497 OIFNTXWOCSKUFE-ZMOGYAJESA-N 433.408 6.410 30 10 IKEE CCCCc1nnc(SCc2ccccc2C)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874476709 TVKKILVRFGIJOE-YDZHTSKRSA-N 443.960 5.665 30 10 IKEE CCCOc1ccc(/C=N/n2c(CCC)nnc2SCc2cccc3ccccc23)cc1 1874508395 AVRKNTGTLCSJII-OVVQPSECSA-N 444.604 6.347 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCCc1ccccc1)c1ccc(Br)cc1 1874574686 ZNECHFABRVXVJF-XYOKQWHBSA-N 441.752 6.620 30 10 IKEE Cc1ccccc1NC(=O)COc1ccccc1/C=C/C(=O)c1ccc(Cl)c(Cl)c1 1874578835 JHIRJANDTKLKOO-ACCUITESSA-N 440.326 6.215 30 10 IKEE O=C(COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(F)cc1)Nc1nccs1 1874584003 RBTCTKCVBOIXQH-ZHACJKMWSA-N 432.476 5.349 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccccc1OCC(=O)Nc1ccc(C)cc1 1874586134 XXVASMBDLKOWEI-SDNWHVSQSA-N 429.516 5.534 30 10 IKEE CCc1ccc(NC(=O)COc2cccc(/C=C/C(=O)c3cc(C)ccc3OC)c2)cc1 1874596733 ARSOGYUAXZECRT-SDNWHVSQSA-N 429.516 5.480 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(Cl)c1OCc1cc(C)ccc1C 1874605359 XHWSGGVQUNPTLJ-SDNWHVSQSA-N 448.990 7.393 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OCC(=O)Nc1nccs1 1874617919 ABANDDUIQPGFNO-VQHVLOKHSA-N 436.533 5.072 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OCc1cccc2ccccc12 1874617998 DUBPVUSWIBHDTH-JQIJEIRASA-N 436.551 7.330 30 10 IKEE Cc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc4ccccc4c3)c2)c(C)c1 1874692391 DOJMYAHFTYDCIM-SDNWHVSQSA-N 436.507 6.337 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccccc3OC)c2)cc1C 1874696304 RCRBBHHXFNEOHR-FMIVXFBMSA-N 446.499 5.065 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cccc(OC(=O)[C@@H](C)Oc3ccc(Cl)cc3)c2)c1 1874703259 HLFZJKPSVWHCMU-CECLQJIQSA-N 434.919 6.226 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OC(=O)c1ccc(C)c([N+](=O)[O-])c1 1874713708 KTCYGRWLZSWBNE-YRNVUSSQSA-N 445.471 5.644 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OC(=O)c1ccc(OC(C)=O)cc1 1874713894 SYQKQJLQSGLXBY-AWNIVKPZSA-N 444.483 5.353 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccccc3F)c2)cc1Cl 1874717111 ZFWXDNLLDSJOSV-JXMROGBWSA-N 440.854 5.612 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccccc3CC)c(OC)c2)cc1 1875101099 JJOKEIFTCJCPKA-FOWTUZBSSA-N 444.527 5.701 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(C)cc2)cc1OCC 1875136122 YJCXURASCOHBKJ-NTCAYCPXSA-N 428.956 6.819 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)c1c(OC)cccc1OC 1875140067 OHTYTUXEVUGFGO-ACCUITESSA-N 446.499 5.445 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3F)c(OC)c2)cc1F 1875153685 SRADGLYIMUHGIQ-JXMROGBWSA-N 438.426 5.026 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 1875158713 JSGIDDOPVIYDDQ-OMCISZLKSA-N 446.518 6.637 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc4ccccc4n3C)cc2)c(C)c1C 1875168141 VKNDOJGLKSZTLT-RVDMUPIBSA-N 439.511 5.919 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)Cc1ccccc1F 1875175506 SLOKSRXYOFZVCD-ZRDIBKRKSA-N 448.490 5.504 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)C3CC3)c(Br)c2)cc1C 1875188052 MNPOWJQEQWQZBX-XBXARRHUSA-N 429.310 5.286 30 10 IKEE CC(C)(C)C#CC[C@@H](N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875646813 PZHQODMUJYCEBL-LEAFIULHSA-N 443.587 5.645 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[C@H](C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1890295717 VYODSAJKXXKRIE-NJYVYQBISA-N 443.588 5.399 30 10 IKEE CCN(CC)c1cccc(OCC#CCNC(=O)c2ccccc2Oc2ccccc2)c1 1891712534 FRRRXRAFHIJACN-UHFFFAOYSA-N 428.532 5.137 30 10 IKEE CCCN[C@@H](CC#CC1CCCCC1)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2034429977 AXKLADLJTCAVBP-DQEYMECFSA-N 442.644 5.439 30 10 IKEE Cc1ccc([C@H](n2nc(C3CCC3)c(C#N)c2I)C(C)(C)C)cc1 2079003088 UGZLWWXINKKWDG-SFHVURJKSA-N 433.337 5.571 30 10 IKEE Cc1ccc([C@@H](n2nc(C3CCC3)c(C#N)c2I)C(C)(C)C)cc1C 2079117022 XLBJLKRGYDFBNB-LJQANCHMSA-N 447.364 5.879 30 10 IKEE CC1([C@@H](c2ccc(C(F)(F)F)cc2F)n2nc(C3CC3)c(C#N)c2Br)CC1 2079906331 YJUSVMULWYBYHT-MRXNPFEDSA-N 442.254 5.942 30 10 IKEE Fc1nc(-n2nc(C3CCC3)c(C(F)(F)F)c2Br)ccc1C(F)(F)F 2080482233 MUGFGHBZKJOQHZ-UHFFFAOYSA-N 432.137 5.474 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2c(C)sc(C)c2Br)c1 2092953265 NWBWBFLWUPINJM-MRXNPFEDSA-N 435.387 6.442 30 10 IKEE Cc1cc(I)cc(Nc2cc(Br)cc(F)c2C#N)c1 2107441542 OABSHNOKSQZICO-UHFFFAOYSA-N 431.046 5.117 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@@H]2Nc2cc(Br)ccc2C#N)C1 2156236669 MYSWDEUEQJJDEY-RXVVDRJESA-N 434.378 5.302 30 10 IKEE CC(C)(C)OC(=O)N1CCc2ccc(Nc3cccc(Br)c3C#N)cc2C1 2162417923 KNHKWLBKFBMDSH-UHFFFAOYSA-N 428.330 5.358 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](CNc2ccc(Br)cc2C#N)[C@@H]2CCCC[C@H]21 2179392950 MXZINMACBQCKFE-VDZJLULYSA-N 434.378 5.158 30 10 IKEE C#CCCN(CC(C)(C)C)C(=O)c1ccc(Br)c(NC(=O)OC(C)(C)C)c1 2180050452 HBHSRCZJKCXZMA-UHFFFAOYSA-N 437.378 5.308 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCCC)c2c(F)cc(Br)cc2F)C1 2197756578 XBFUUHZIPQEHEQ-QGZVFWFLSA-N 445.348 5.382 30 10 IKEE C=CCN(CC[C@H](NCCC)c1ccc(Br)cc1C)C(=O)OC(C)(C)C 2229248302 BROCRQGPGVNRBB-IBGZPJMESA-N 425.411 5.611 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C=CC(=O)c2cc(Cl)cc(Cl)c2Cl)cc1 2235585803 ZBCPHADEKBYGRJ-UHFFFAOYSA-N 426.727 6.890 30 10 IKEE C#CC[C@@H](C)CN(C)C(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2243924629 JKMMRAKXFFEAJB-IBVKSMDESA-N 446.591 5.058 30 10 IKEE CC(C)N(Cc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(F)(F)F 2267002843 GSABWNJADUYJPB-UHFFFAOYSA-N 447.306 5.055 30 10 IKEE Cc1cccc(Oc2ccc(C#N)c(Br)c2F)c1I 2277972738 OGCUIHAVRSUPMF-UHFFFAOYSA-N 432.030 5.165 30 10 IKEE COc1cc(O)ccc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2282819068 MDQVIZHNYNNYDL-KRWDZBQOSA-N 433.302 5.170 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1c(F)cccc1Br)NCCC 2289755209 ZGUUCAHLKDWZJZ-RBUKOAKNSA-N 443.401 5.358 30 10 IKEE C=CCC[C@H](C)[C@@](C)(OCCCN)c1cc(Br)c(Br)s1 2294219662 WJMAFQJAARQNQY-XHDPSFHLSA-N 425.230 5.456 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)C[C@@H](C)N(CC)C(=O)OC(C)(C)C 2296311380 WOWORDHGRDSLLT-XLIONFOSSA-N 437.422 5.204 30 10 IKEE O=C(COc1ccc2c(c1)OC(=CC1=Cc3ccccc3OC1)C2=O)c1ccc(Cl)cc1 2296535112 JFFMAWWLKFNPFR-UHFFFAOYSA-N 444.870 5.537 30 10 IKEE C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC(=Cc1ccc(C(F)(F)F)cc1)C2=O 2296741688 LJQHVTRFOZQNII-MUJSDITESA-N 444.537 6.592 30 10 IKEE COc1cc(C=C2C[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc2c1OCO2 2297505010 FBJLPYMCBZFUML-PEBJHLLBSA-N 436.592 6.419 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@H]1C[C@@H]2CC[C@H]1CN(C(=O)OC(C)(C)C)C2 2298032894 DLLXNLKHUQZJGN-NEWJYFPISA-N 428.617 5.021 30 10 IKEE C=Cc1ccc(COc2ccc3c(c2)OC(=Cc2ccccc2Br)C3=O)cc1 2314437692 UCDPNNQVRPBRFX-UHFFFAOYSA-N 433.301 6.287 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCc4c(F)c(F)c(F)c(F)c4F)cc(C)c3C2=O)o1 2321813318 FFMDFCSMJLEUQY-UHFFFAOYSA-N 436.332 5.787 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O3)CN([C@@H]1CCCC[C@H]1C)CO2 2322153080 CQWFIEPKGYXDES-WZONZLPQSA-N 445.603 6.639 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(Cl)cc2C=CC(=O)c2cccc(Cl)c2)cc1 2322527738 BYHHZYOUEYHLGB-UHFFFAOYSA-N 440.326 6.215 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OC(=O)c4ccc(OC)cc4)cc(C)c3C2=O)cc1 2322687724 DKBKCABNPQGZSI-UHFFFAOYSA-N 430.456 5.238 30 10 IKEE Cc1ccc(C(=O)C=Cc2c(OCC(=O)Nc3nccs3)ccc3ccccc23)cc1C 2322890005 HYZKBRAFWMVDGI-UHFFFAOYSA-N 442.540 5.827 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc(OC(=O)CCc3ccc(Cl)cc3)c2C)C1=O 2323106084 DYKCIRLMNGZOKT-UHFFFAOYSA-N 448.902 5.811 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OCC(=O)Nc1ccc(C)cc1 2323160985 XLXOAPJLLJXFEV-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE CCCCCCCCCOc1ccc(C=NNc2nc(C)c(CCO)c(O)n2)c(Cl)c1 2323273839 HNWTXKMUSHMFRN-UHFFFAOYSA-N 448.995 5.254 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(Cl)c1OCc1cccc(C)c1 2323388249 UNLUCFJFJRTHAM-UHFFFAOYSA-N 442.942 7.285 30 10 IKEE CCC(CC)c1nnc(S)n1N=Cc1ccc(OCc2cccc(Cl)c2)c(OC)c1 2323486138 OPUPOMYNFASHMC-UHFFFAOYSA-N 444.988 5.594 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2OC)C3=O)c1 2323799649 BYPVYCDQJJEBJS-UHFFFAOYSA-N 430.456 5.238 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OCC(=O)Nc1ccc(C)c(C)c1 2323808666 JEOVSDHLWOYOGY-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE O=C(CCc1cccs1)Oc1ccc2c(c1)OC(=Cc1c(F)cccc1Cl)C2=O 2323970484 FLRQJGRBUVHMGD-UHFFFAOYSA-N 428.868 5.695 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)ccc1F 2323970505 JZXIGCXKEIICJT-UHFFFAOYSA-N 441.861 5.840 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(O)c3CN(C3CCCCC3)C3CCCCC3)C2=O)c1 2324044788 QPZWUKLOHBNMCJ-UHFFFAOYSA-N 445.603 6.784 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1Cl 2324087125 DMJXGAFZZMMGHE-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE Cc1ccccc1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccccc1Cl)C2=O 2324407438 WJQIUTYKHIUXSB-KRWDZBQOSA-N 447.918 5.979 30 10 IKEE Cc1c(Cl)cccc1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1ccccc1)C2=O 2324430321 RRZURLXNVJXSQF-INIZCTEOSA-N 433.891 5.671 30 10 IKEE Cc1ccc(OCCOc2ccc3c(c2C)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1 2324538814 HJNIDYJEESEYOY-UHFFFAOYSA-N 428.528 6.501 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1Cl 2324611452 SEUUYTRLLCWAAT-UHFFFAOYSA-N 441.842 5.871 30 10 IKEE CC[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1cc(Br)cc3c1OCOC3)C2=O 2324718678 PTDOJSPSZOQNBI-GFCCVEGCSA-N 445.309 5.418 30 10 IKEE CCCC[C@@H](Oc1ccc2c(c1)OC(=Cc1ccc(Br)cc1)C2=O)C(=O)O 2324778047 PMUGWHXZJIUHBS-QGZVFWFLSA-N 431.282 5.088 30 10 IKEE O=C1C(=Cc2ccc(F)cc2)Oc2cc(OCc3c(Cl)ccc(Cl)c3Cl)ccc21 2325168681 ZDHPUAOQHXQRAA-UHFFFAOYSA-N 449.692 6.981 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccc(C(C)C)cc2)c1 2325471491 KIBQOELAFQWWAW-UHFFFAOYSA-N 440.616 6.475 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(N(C)C)cc1 2325528916 SSKMEMFHHZRSHM-UHFFFAOYSA-N 428.005 5.515 30 10 IKEE O=C(C=Cc1ccccc1C(F)(F)F)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 2325571909 QWNOBKZEHKVNMG-UHFFFAOYSA-N 445.824 6.372 30 10 IKEE CCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccc(Br)cc1 2325592547 UNSWRGQLWGGBPF-UHFFFAOYSA-N 429.387 5.394 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O)Nc1cccc2ccccc12 2325706982 HHVNRLLVRBRDFR-UHFFFAOYSA-N 439.442 5.613 30 10 IKEE Cc1c(OCC(=O)Nc2cccc(Cl)c2)ccc2c1OC(=Cc1ccccc1F)C2=O 2325717349 WAYDFRDAJBOMKS-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE Cc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3cccc(Br)c3)c2)cc1C 2325720369 FKIOAIZRNLRERD-UHFFFAOYSA-N 449.344 6.110 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2C)C3=O)c1 2325721906 BXPWQNRQTPKGSY-UHFFFAOYSA-N 427.500 5.554 30 10 IKEE CCOc1ccc(OCC(=O)Oc2cc(C=CC(=O)c3ccc(C)cc3)ccc2OC)cc1 2325737837 UUNFBFWZCDTTPS-UHFFFAOYSA-N 446.499 5.283 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)CCCOc3ccccc3C(C)C)c2)cc1 2325738645 JONTTXHDPQLLNX-UHFFFAOYSA-N 442.555 6.779 30 10 IKEE Cc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C 2325746307 LLUFMQRSIGHXIR-UHFFFAOYSA-N 426.556 6.645 30 10 IKEE CCc1ccc(CCC(=O)Oc2cccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 2325746488 LEDJCBBTZUGEFW-UHFFFAOYSA-N 440.583 6.981 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1OC(=O)c1sccc1C 2325756504 SSOJCHSTKNOOMA-UHFFFAOYSA-N 434.557 6.414 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1cccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)c1 2325756748 BGEYDNVEYKULJL-UHFFFAOYSA-N 444.527 6.053 30 10 IKEE CCCSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1cccc(C)c1 2325884098 KMEPWUFZUILDBS-UHFFFAOYSA-N 444.604 6.136 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1cccc(F)c1 2326017319 JXULWNVTXFILIB-UHFFFAOYSA-N 430.936 5.243 30 10 IKEE CCCCCCCOc1ccccc1C=Nn1c(C)nnc1SCc1ccc(C)cc1 2326295453 QVZPWPNAGULOAG-UHFFFAOYSA-N 436.625 6.419 30 10 IKEE Cc1ccc(OCc2nnc(SCCc3ccccc3)n2N=Cc2ccccc2)c(C)c1 2328902926 IQABWOGDMKUJMC-UHFFFAOYSA-N 442.588 5.691 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(Cl)cc3)n2N=Cc2cccnc2)cc1 2329065439 IWEQNNWEYGETNH-UHFFFAOYSA-N 433.968 5.400 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2[C@H](C)c2ccccc2)cc1 2330050901 SDUQXSZBJBNTDJ-HXUWFJFHSA-N 442.588 5.921 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cc(OC)ccc3OC)cc2)cc1 2330738728 NTGTWKRRSOCCPY-UHFFFAOYSA-N 430.500 5.310 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)Cc3ccccc3)c(OC)c2)cc1 2330951147 JMXKRFAYIDXTSM-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE Clc1ccc(CSc2nnc([C@H]3CCCO3)n2N=Cc2ccccc2Cl)cc1 2330993469 OZBFJWQJFLZDDC-GOSISDBHSA-N 433.364 5.611 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1Cl 2331123447 XZRLFLOYPMCIQB-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1Cl 2331142674 RELSYUAXJQRTHB-UHFFFAOYSA-N 429.274 6.177 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OC(=O)c1cccc(OC)c1 2331172946 RJWVZTFQCUCFDN-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE CCCC(=O)Oc1c(Br)cc(C=CC(=O)c2cc(C)ccc2C)cc1OCC 2331327662 DUSQILONZPDTPL-UHFFFAOYSA-N 445.353 6.066 30 10 IKEE CCCCCCC(=O)Oc1c(OC)cc(C=CC(=O)c2cc(C)ccc2OC)cc1OC 2331356164 WGNCDFWDLXMMPP-UHFFFAOYSA-N 440.536 5.793 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1C 2331411113 PPJRMOZRGWYFJS-UHFFFAOYSA-N 426.556 6.645 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1cccc(OC)c1 2331503913 VPHGBWPUBATYKO-UHFFFAOYSA-N 444.527 6.333 30 10 IKEE COc1cccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CCC2)c1O 2331535483 LZSIXXDAYBTKGD-UHFFFAOYSA-N 444.560 5.588 30 10 IKEE CCOc1c(C=Nn2c(SCc3ccc(F)cc3)nnc2C(C)C)cccc1OC 2331685076 AJUMODKRWYGREH-UHFFFAOYSA-N 428.533 5.122 30 10 IKEE COc1ccc(OC)c(C=Nn2c(SCc3ccccc3Cl)nnc2C(C)C)c1 2331702086 LQESOPHXOGZCOC-UHFFFAOYSA-N 430.961 5.247 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc4ccccc4n3C)cc2)c(OC)c1 2331716889 JFPGUWSQIYQBJJ-UHFFFAOYSA-N 441.483 5.311 30 10 IKEE CC1(C)C[C@@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CN1Cc1ccccc1 2339541405 LNABULIUXUPHAF-JXVRESAISA-N 433.405 5.191 30 10 IKEE CC[C@H](Nc1cccc(OCc2ccccc2)c1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363844514 RUIMKAZKUNTXGY-SANMLTNESA-N 443.396 6.128 30 10 IKEE Cc1cc(C)nc(SCc2ccc(B3OC(C)(C)C(C)(C)O3)c(Br)c2)c1 2377294999 PPVOTZVUWHZUKR-UHFFFAOYSA-N 434.208 5.052 30 10 IKEE O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1)NC1CCCCCC1 15867228 IEXMAOLARYSGDZ-AREMUKBSSA-N 449.620 5.567 30 10 IKEE CC(C)Oc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2OC(C)C)cc1 21236983 URZZHBNWJXOKMI-UGKGYDQZSA-N 433.548 5.265 30 10 IKEE CC1(C)CS/C(=N\c2c(Br)cc(Br)cc2Br)N1 35286977 LVXCUGUVGHXQRF-UHFFFAOYSA-N 443.002 5.077 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OCc4cc(C)ccc4C)c3C)C2=O)c(OC)c1 41433492 PUPQIHHSTHTXHI-MXAYSNPKSA-N 430.500 5.824 30 10 IKEE COc1ccc(CN2COc3cc(C)c4c(c3C2)O/C(=C\c2ccccc2C)C4=O)cc1 41647848 FFMCXTWZTIGVDS-CFRMEGHHSA-N 427.500 5.280 30 10 IKEE COc1cccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c1OCC#N 59676458 KLXDPLPBOKHCFH-JVWAILMASA-N 445.544 5.541 30 10 IKEE CC/N=C1/S/C(=C/c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)C(=O)N1CC 100203510 JFBIQWUQAAUWBX-JKDHJYAGSA-N 428.863 5.931 30 10 IKEE O=C1/C(=C\c2cccc3ccccc23)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 100437220 IQQDJTPGXJRMCK-GEZLPURSSA-N 434.564 6.513 30 10 IKEE CCCCCCCCCCCCCCCCCCCCCC(=O)Nc1cc(C)ccc1C 100461849 ZEYCMOAZHJCDIN-UHFFFAOYSA-N 443.760 10.064 30 10 IKEE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)S/C1=N/c1ccc(Cl)cc1 100992088 PZUUMDLVERTDDA-OCLJWFPGSA-N 434.348 5.140 30 10 IKEE CCCCCCCCCCn1c([C@H]2CC(=O)N(c3ccccc3CC)C2)nc2ccccc21 101322140 LNESAVNBYNAIOM-DEOSSOPVSA-N 445.651 7.260 30 10 IKEE O=C(O)Oc1cccc(/C=C2\S/C(=N/Cc3ccccc3)N(C3CCCCC3)C2=O)c1 101620886 YAGLYSNBIHAEMK-VLYZUMCXSA-N 436.533 5.549 30 10 IKEE COc1ccc(OC)c(/C=N\n2c(C)nnc2SCc2ccc(Cl)cc2Cl)c1 138200024 CLEYFKFDIWIDAM-YVNNLAQVSA-N 437.352 5.085 30 10 IKEE CN1C(=S)N[C@@H](c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C2=C1CCCC2=O 169936896 HWYXZEWTBXTLLT-NRFANRHFSA-N 447.387 5.441 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccc(O)cc2)c1 169958157 PMTNTXFXHIHENB-DEOSSOPVSA-N 443.499 5.307 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccc(O)cc2)c1 169962868 URSGSTYAEPMPCF-XMMPIXPASA-N 443.499 5.191 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@@H]2c2cccnc2)cc1C 170008091 DIOFYHONTOPGIG-RUZDIDTESA-N 434.495 5.635 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccc(OCC)c2)c1 170036220 VZKCWWUNQRILQJ-XMMPIXPASA-N 443.499 5.267 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@H]1c1ccccc1 170050264 UCLVUPGONQPJPI-NRFANRHFSA-N 437.854 5.271 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2ccccc2OC)=C(N2CCC[C@@H](C)C2)C1=O 170059650 KHJBDPLANHYXPY-OAQYLSRUSA-N 440.628 5.648 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccc(F)cc2)c1 170062404 YBBJLHDALKHIGQ-XMMPIXPASA-N 429.491 5.842 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1 170063963 XFYIAXIKDIITNV-HXUWFJFHSA-N 427.353 5.026 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@H]1c1ccccc1F 170069825 NQBBAFHMSBQVJC-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1ccc(F)c(F)c1 170088206 FBTCDQDPZWUWHT-NRFANRHFSA-N 439.845 5.710 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccccc2C)cc1 170088513 XEYGDPWKMBMIKY-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2ccccc2O)c1 170141379 DGTXBNVNPOCAAD-DEOSSOPVSA-N 443.499 5.271 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@@H]1c1ccc(OC(C)C)cc1 170152292 KPUQIXBRMBZXHW-QFIPXVFZSA-N 437.536 5.088 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2cccnc2)c1 170188786 RHAYQRQSNFOUHR-JOCHJYFZSA-N 448.906 5.305 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccncc2)cc1C(C)C 170209340 XIGFHLUBACBFCR-QHCPKHFHSA-N 434.536 5.125 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(Cl)cc1 170237202 IIAAYJNRANGBTQ-FQEVSTJZSA-N 429.875 5.009 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(Cl)c3)[C@@H]2c2ccco2)cc1 170284660 YJNZNKDBFBHVLD-IBGZPJMESA-N 444.270 5.378 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccco2)c1 170286855 WPCYGKMPRVNMJZ-NRFANRHFSA-N 437.879 5.503 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccco2)c1 170297123 XPUQNGNCVMVSPD-XMMPIXPASA-N 445.515 5.462 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@H]2c2ccc(C)o2)c1 170300480 RFBGPIMTKQEOAC-XMMPIXPASA-N 445.515 5.775 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(C)c4)[C@H]3c3ccc(C)o3)oc12 170300519 VZCNTNHYMNUYFC-QFIPXVFZSA-N 443.455 5.434 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2ccc(C)c(C)c2)o1 170301831 WORPPVUPVORNAS-VWLOTQADSA-N 437.495 6.141 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2sccc2C)cc1C 170319779 ZRMOOOMEORPEMH-FQEVSTJZSA-N 425.550 5.203 30 10 IKEE C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCCC)c1 170324171 HEGNOFSTVBPVTK-RUZDIDTESA-N 441.527 5.783 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(OCc2ccccc2)cc1 170438070 DMEUTSJZBQJYMT-HSZRJFAPSA-N 445.515 5.369 30 10 IKEE C=C(C(=O)Nc1ccccc1)[C@@H]([C@H](O)CCCCCCCC)S(=O)(=O)c1ccccc1 196948206 UEOVPIUCXLDGGD-RPWUZVMVSA-N 443.609 5.135 30 10 IKEE N#Cc1cc(Br)cc(Nc2ccc(Br)cc2Br)c1 227610587 MBWKSFMBWYYZAE-UHFFFAOYSA-N 430.925 5.589 30 10 IKEE N#C[C@H](C(=O)c1cc(Br)sc1Br)c1ccc(F)cc1Cl 236252514 GWCCJZALSTVQIJ-VIFPVBQESA-N 437.515 5.556 30 10 IKEE Cc1cc(C)c2c(c1)/C(=C1\SC(=Nc3ccccc3)N(c3ccccc3)C1=O)C(=O)N2 252597906 CWAFIWKLHMDAAM-ZOXZCZEASA-N 425.513 5.434 30 10 IKEE CCc1ccc(/C=C2/SC(=Nc3cccc4ccccc34)N(Cc3ccccc3)C2=O)cc1 254483787 NHMYWLKXCPQTMO-ZHKVIDFESA-N 448.591 7.206 30 10 IKEE O=C(Oc1ccc(C=Nc2ccc3oc(-c4ccccc4)nc3c2)cc1)c1ccc(F)cc1 254509803 OALXEKMRBZNENG-UHFFFAOYSA-N 436.442 6.604 30 10 IKEE C=C(C)[C@@H]1CC[C@@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@@H](O)CC[C@@]34C)[C@@H]12 256079391 FELCJAPFJOPHSD-KFWWVMEXSA-N 440.712 7.204 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[C@@H]1Nc1ccc(C#N)cc1Br 312142490 DDJHZUILFCPVCQ-VDZJLULYSA-N 434.378 5.301 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)ccc1F 407854566 GWVZOAMUJLTHLL-MSOLQXFVSA-N 429.374 5.488 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(C)c(Br)c1)NCCC 407923517 DUYMQQNBHOYYGP-PMACEKPBSA-N 439.438 5.528 30 10 IKEE CCn1c(C)c(/C=N\n2cnnc2SCc2ccc(Cl)c(Cl)c2)c2ccccc21 526814590 LZNOUGVTQWIEOJ-GATIEOLUSA-N 444.391 6.042 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1c[nH]c2ccccc12 526814950 XGENMDPKGRACPF-ROTLSHHCSA-N 444.391 6.193 30 10 IKEE N#Cc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccc(F)cc2)cc1 526822338 ITGYYHQKFQZMBM-QRQIAZFYSA-N 441.535 5.249 30 10 IKEE CCOc1cccc(/C=N\n2cnnc2SCc2ccc(Cl)cc2Cl)c1OC 526823766 RTZGPLVICIBKRI-RMORIDSASA-N 437.352 5.167 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c1 586002242 OPMKTIKXRMPSBV-QFIPXVFZSA-N 439.987 5.212 30 10 IKEE COc1cc(C)c(C)cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 586161039 BJUDLSAXQYBCQL-FQEVSTJZSA-N 434.561 5.136 30 10 IKEE CCOc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2ccc(C(C)(C)C)cc2)cc1 586205967 YSMXDMXJQYNFHR-UHFFFAOYSA-N 448.588 5.650 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2ccccc2)cc1 586236276 NOXVQKKXOCXSOK-UHFFFAOYSA-N 432.589 6.077 30 10 IKEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1 586711417 KYFORJKRJYRSIV-UHFFFAOYSA-N 432.568 5.381 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1ccc(Cl)c(Br)c1 698416562 AUAWNYNPCLZVNK-GOSISDBHSA-N 435.749 6.417 30 10 IKEE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@@H](C#N)c1cccc(Br)c1Cl 706501269 VCPLWQBDKNJNQV-WFASDCNBSA-N 429.742 5.083 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@H](C#N)c1ccsc1Br 706979368 IVHOYDDTHNCSNT-CQSZACIVSA-N 427.751 6.170 30 10 IKEE CC#CCC[C@@H](NCCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 708566401 YBOSPWIHXBGTDH-WOJBJXKFSA-N 437.422 5.057 30 10 IKEE C[C@H]1[C@H]2CC[C@@H](C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1)N2C(=O)OC(C)(C)C 709311913 GUXLZQRVGQZJOW-RXPSNABZSA-N 441.572 5.498 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@H](C#N)c1cccc(OCc2ccccc2)c1 710770655 SEZQFLYRSINZFH-QHCPKHFHSA-N 434.561 6.329 30 10 IKEE Cc1ccc(N=C2S[C@H](C(=O)Nc3cc(Cl)cc(Cl)c3)CC(=O)N2C)cc1C 1084541754 VJQRYOYYMQTLHU-KRWDZBQOSA-N 436.364 5.200 30 10 IKEE CC1=NN(C(=S)Nc2cc(Cl)ccc2Cl)C(=O)/C1=N/Nc1ccc(Cl)cc1 1616045875 KBURZPZNDGLPDY-HZHRSRAPSA-N 440.743 5.030 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=Nc1cccnc1 1772731474 NMKJKTJSOZQFGC-JGBPVPSRSA-N 432.461 5.040 30 10 IKEE C=CCOc1ccccc1/C=C1\SC(=Nc2nc(C)cs2)N(c2ccccc2)C1=O 1772738411 NXNHLYMKVVTIPN-VASVRFFCSA-N 433.558 5.825 30 10 IKEE CCOC(=O)[C@@H](Cc1cc(Cl)sc1Cl)N=C(c1ccccc1)c1ccccc1 1857787425 PNTADDUCBKREES-GOSISDBHSA-N 432.372 6.067 30 10 IKEE Cc1ccccc1-c1nc2scc(-c3cccs3)c2c(=O)n1Cc1cccc(C#N)c1 1857803387 OLPLBLHYJBSTKW-UHFFFAOYSA-N 439.565 6.082 30 10 IKEE CCCCCCCCCOc1cccnc1NC(=O)/C=C/c1ccc(OC)c(OC)c1 1858749998 GRJZJNBWHVUPCC-JQIJEIRASA-N 426.557 5.880 30 10 IKEE Cc1ccc(NC(=O)Oc2cccc3c(NC(=O)c4cccc(C#N)c4)cccc23)c(F)c1 1858780375 XUMWLEDKOGDEDD-UHFFFAOYSA-N 439.446 6.022 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2cc(Cl)cc(Cl)c2)cc1 1862394089 IGGZQSQUHVMDRN-OAQYLSRUSA-N 446.374 6.323 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc(F)cc2)cc1C 1862401851 LJFAHFWTVXRNMT-OFSQETHSSA-N 437.511 5.300 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(F)cc2F)=C(O)C(=O)N1C1CCCCCC1 1862411503 JJCPDCLDQGOSGQ-QFIPXVFZSA-N 425.475 5.574 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2cccnc2)cc1 1862432181 YDESPHYACBTNIL-QFIPXVFZSA-N 432.907 5.076 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(C(C)C)cc1 1862447745 XIAULSQHYZFRES-QFIPXVFZSA-N 425.956 6.088 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc(F)c2)cc1 1862473357 ANMFAPRBWJNWBG-CJAUYULYSA-N 443.518 6.036 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C34CC5CC(CC(C5)C3)C4)[C@H]2c2ccc(C)cc2)cc1 1862475518 OIJRHMIMWZTSJF-KYRCVXBYSA-N 441.571 5.851 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 1862482401 QFEIGVOFIBQNPY-HXUWFJFHSA-N 448.346 5.043 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCc2cccs2)cc1 1862594364 CVQRDEFOYGJNOV-HSZRJFAPSA-N 447.556 5.398 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccc(O)cc1)c1cccc2ccccc12 1862650207 PVHCTHRNIUKTOQ-VWLOTQADSA-N 441.527 5.847 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc(OC)c1 1862652485 HYPNIFOHABDBJS-VWLOTQADSA-N 443.543 6.007 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccccc2Cl)cc1 1862689485 RWFHIELDJNMYFW-QFIPXVFZSA-N 439.939 5.650 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(N(C)C)cc2)cc1 1862691444 NBTQBTFEFNVWOG-DEOSSOPVSA-N 448.563 5.062 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2cc(Cl)cc(Cl)c2)c1 1862706410 VYVBOXHVZPGXHK-IBGZPJMESA-N 434.319 5.236 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CC(C)C)c1 1862715546 WWBSQEAGDNRGTR-XMMPIXPASA-N 429.516 5.473 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3cccc(Cl)c3)C2=O)cc1C 1862873622 CHIZRBSODUJQND-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C(C)C)c(C)c3)C(=O)N(c3ccccc3C#N)C2=O)cc1C 1862885513 WUMVJJOEWMIDJR-UHFFFAOYSA-N 449.554 6.004 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(C)c(C)c2)C1=O 1863260508 SJUYMYIKWUTEQQ-QFIPXVFZSA-N 429.564 5.726 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C)c2C)=C(c2ccccc2OC)C1=O 1863423813 HUPKVNOXKJIMFY-UHFFFAOYSA-N 434.580 5.865 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)cc2F)=C(c2ccccc2Cl)C1=O 1863447188 JHXHLEKANSZIHI-UHFFFAOYSA-N 446.925 6.171 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccccc2)=C(c2ccc(OCCC)cc2)C1=O 1863685875 SQNVZUTUOKDDPG-UHFFFAOYSA-N 448.607 5.706 30 10 IKEE CCCC[C@@H](NC(=O)C[C@H](c1ccc(Cl)cc1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866764932 XJQFAURTBYCVMQ-XZOQPEGZSA-N 439.987 5.655 30 10 IKEE CC(C)[C@H]1c2ccccc2CCN1c1cc(Nc2cccc(C#N)c2)nc(C(C)(C)C)n1 1868332869 OHASNYMGBPYVLG-VWLOTQADSA-N 425.580 6.149 30 10 IKEE CCCCCCCCCCNC(=O)c1cn(-c2ccc(C(C)(C)C)cc2)c(=O)cc1O 1870133009 HPMFLWRUMRFRAW-UHFFFAOYSA-N 426.601 5.711 30 10 IKEE CCCCCCCOc1cn(CCCCN2CCCC2)c(CSC(C)(C)C)cc1=O 1870259898 NXVRFWBSKKHSIP-UHFFFAOYSA-N 436.706 6.105 30 10 IKEE CCCCCCCCCCn1cc(OCCCO)c(=O)cc1CN1C[C@H](C)C[C@@H](C)C1 1870359560 AKYYMHIPAMRGGF-DHIUTWEWSA-N 434.665 5.228 30 10 IKEE CCCCCCCOc1cn(CCC2=CCCCC2)c(CNc2ccc(C)cc2)cc1=O 1870838414 CHILNCUTHPDIEU-UHFFFAOYSA-N 436.640 7.009 30 10 IKEE CCCCCCCOc1cn(CCCCCCO)c(CNc2ccc(OC)cc2)cc1=O 1870838959 CGIDYWQEVLMIJQ-UHFFFAOYSA-N 444.616 5.371 30 10 IKEE C#CCOc1cn(CCCCCC)c(CNc2ccc(Br)cc2C)cc1=O 1871008672 IFDZZJRSGPUGNC-UHFFFAOYSA-N 431.374 5.124 30 10 IKEE C=CCn1cc(OCc2cccc(OC)c2)c(=O)cc1CNc1ccc(C(C)(C)C)cc1 1871054507 JQCNSZNHQQCGPI-UHFFFAOYSA-N 432.564 5.532 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc4c3CN([C@H](C)c3ccc(OC)cc3)CO4)C2=O)cc1 1871354188 JMXSGSGVXFIZKH-YMKHCOABSA-N 443.499 5.233 30 10 IKEE CCN(CC)CCCCN1COc2c(cc3c(c2C)O/C(=C\c2ccc(C)cc2)C3=O)C1 1871354847 DNMWBMFRZDKCBR-IWIPYMOSSA-N 434.580 5.194 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2C)C3=O)c(C)c1 1871410203 BFVCGYPEBNSZCP-LPANUZLBSA-N 427.500 5.634 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1ccccc1CC)S(=O)(=O)c1ccc(C)c(C)c1 1872475951 WPRCFRLHIDPPLP-XMMPIXPASA-N 442.625 5.240 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(Cl)cc1C)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872508634 YVGVSKHEODMBGI-HTAPYJJXSA-N 449.016 5.187 30 10 IKEE COc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 1872760847 ZFWFQFIRLUUYNC-HSZRJFAPSA-N 442.540 6.007 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)CC3CCCCC3)n2)cc1OCCC 1872766740 KEXHIZKOYSZNSR-FQEVSTJZSA-N 440.609 6.534 30 10 IKEE COc1ccc(C(=O)[C@H](C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1OC 1872784228 QUYBEAIMSKFQDV-HNNXBMFYSA-N 442.924 5.288 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)c(Cl)c3)n2)cc1C 1872787776 RBFWWNWGCYSXOI-HNNXBMFYSA-N 431.344 6.232 30 10 IKEE Cc1ccccc1-c1ccc(N2CC(=O)C(c3nc(-c4ccccc4)c(C)s3)=C2N)cc1 1872795878 CAAVPFIMJVSFFJ-UHFFFAOYSA-N 437.568 5.811 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC2CCCCCC2)=C(c2ccc(C)cc2)C1=O 1873143671 XMDOCOXMWOXKIV-UHFFFAOYSA-N 438.656 6.528 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2cc(C)ccc2C)=C(c2ccccc2)C1=O 1873161410 LPEKNAGFDBZYLP-UHFFFAOYSA-N 446.635 6.314 30 10 IKEE C=CCN1C(=O)C(Nc2cc(Cl)ccc2Cl)=C(c2cccc(Cl)c2Cl)C1=O 1873341501 KCKUBZCRHJAMLM-UHFFFAOYSA-N 442.129 5.678 30 10 IKEE C=C(C)CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccccc1OC 1874243447 GXNCNTNIJSGUBF-CVKSISIWSA-N 436.625 5.596 30 10 IKEE CSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1c(Cl)cccc1Cl 1874268036 COJCRGNZVAQRLB-ZMOGYAJESA-N 427.360 5.933 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccc(F)cc3)n2/N=C/c2cccnc2)cc1C 1874319621 ALLDPBXJSOVNAK-MZJWZYIUSA-N 447.539 5.183 30 10 IKEE C=CCSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1cccc2ccccc12 1874328636 YJMRZZHJVLHJGU-WGOQTCKBSA-N 428.561 5.787 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2/N=C/c2ccco2)cc1C 1874359151 RSGXXJAQXMQWSB-AFUMVMLFSA-N 436.968 5.907 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccccc2O)cc1 1874387743 CKBYJRUSFXKDNC-CVKSISIWSA-N 432.524 5.197 30 10 IKEE Cc1ccccc1CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1ccc(O)cc1 1874394588 QITMUUIGLSKNCT-DZTFFZQKSA-N 428.561 5.618 30 10 IKEE Cc1ccc(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2ccc(C(C)(C)C)cc2)cc1 1874441582 CPVFSJDOTLBXJC-SYOQMXFQSA-N 434.609 5.910 30 10 IKEE Clc1cccc(Cl)c1/C=N/n1c(SCCc2ccccc2)nnc1C1CCCC1 1874455945 RXNMCTHKCIWAKW-MFKUBSTISA-N 445.419 6.460 30 10 IKEE CCCSc1nnc(C2CCCC2)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874456504 AIWJHCRUZGPMAM-KOEQRZSOSA-N 434.565 5.539 30 10 IKEE CC(C)Cc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1c(F)cccc1Cl 1874491490 UJPXGYLPECVXBF-BHGWPJFGSA-N 437.371 6.097 30 10 IKEE COc1cc(Br)cc(/C=C/C(=O)c2ccc(Br)cc2)c1OC 1874574197 AGVGGGZZGFVOJV-VMPITWQZSA-N 426.104 5.125 30 10 IKEE COc1cccc(/C=C/C(=O)c2cccc(Cl)c2)c1OCC(=O)Nc1ccccc1F 1874577440 NQHDLARJCNGQJJ-OUKQBFOZSA-N 439.870 5.401 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(F)c(C)c2)c1OCC(=O)Nc1ccc(C)cc1C 1874581191 AYHSEHMTCXRXAP-JLHYYAGUSA-N 447.506 5.673 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCC)cc1 1874584256 FSODVVCHACTJTQ-NTCAYCPXSA-N 430.972 6.993 30 10 IKEE COc1cc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccccc2)c(OC)cc1Cl 1874587624 WJOKIQZGEOZSKU-CSKARUKUSA-N 443.326 6.486 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)c1 1874599223 BAJBLCVIXCVEKF-GXDHUFHOSA-N 447.487 5.867 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2Cl)cc(OC)c1OCc1ccc(C)cc1 1874608421 NNSGRNFKYGZJPN-CCEZHUSRSA-N 432.947 6.861 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OCC(=O)N[C@H](C)c1ccccc1 1874614927 XPWLOIKWPACRFD-KETLNSEPSA-N 429.516 5.238 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OCc3c(Cl)cccc3Cl)c(Cl)c2)ccc1F 1874618480 CSRCYZRZFJNTLF-WEVVVXLNSA-N 449.736 7.569 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(OC)c1OCCc1ccccc1 1874620147 LNPOJURAYPDEKW-SDNWHVSQSA-N 430.519 6.389 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1 1874628367 ZRWNTALQMOIPRG-FOWTUZBSSA-N 443.543 5.788 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OCC(=O)Nc2c(C)cccc2C)cc1 1874638713 OBPRSOCDAUVXAN-UKTHLTGXSA-N 449.934 5.879 30 10 IKEE CCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(C)c1C 1874690172 FOKJHKYAWAEXIS-SANMLTNESA-N 447.623 6.201 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OC(=O)c1cccc(Cl)c1 1874699078 CBYIYRBPYQVOTB-CSKARUKUSA-N 427.283 6.117 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2cccc(OC(=O)COCc3ccccc3)c2)cc1 1874707546 KHYNYHNMOLSWJY-SFQUDFHCSA-N 428.528 6.002 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OC(=O)c1cccc(Cl)c1 1874709628 LVCBCICTVGSBDK-WEVVVXLNSA-N 428.818 5.742 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC(=O)c1ccccc1 1874710677 HRPKDPHWZKFZHO-ACCUITESSA-N 444.527 6.251 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cccc(OC(=O)Cc2ccccc2Cl)c1 1874713106 GUFUBTWVFWJSFU-VAWYXSNFSA-N 434.919 6.010 30 10 IKEE CCCCCCC(=O)Oc1cccc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)c1 1874717008 UTIHQNRZVUMFGE-VAWYXSNFSA-N 435.347 6.774 30 10 IKEE Cc1cccc(C)c1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1 1875116822 UTUKTRNFJCMPTK-OVCLIPMQSA-N 431.444 5.092 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC(=O)c1ccccc1F 1875122126 GAAFLIZHJLAUSK-YRNVUSSQSA-N 426.390 5.618 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)c1cccc(C)c1 1875125603 QVHDFHSHKRKQFT-NTEUORMPSA-N 446.930 6.501 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OC(=O)c1cccc(Cl)c1 1875127263 VVMMQQSIGSJOTD-VAWYXSNFSA-N 441.310 6.507 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(OC)c([N+](=O)[O-])c1 1875136164 AHUREJXWARBURC-IZZDOVSWSA-N 447.443 5.036 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC(=O)[C@@H](C)c1ccccc1 1875144318 OWDNONBFNAPYEB-BPOBUFBUSA-N 430.500 5.617 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1Cl 1875149713 CXBCJUWPPOABRQ-FPYGCLRLSA-N 438.838 5.252 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1ccc(C)c(C)c1 1875151944 ALTZJVIIPLPAAE-WEVVVXLNSA-N 430.456 5.156 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC(C)(C)C)c(Cl)c2)c2ccccc12 1875190241 JSOSWFLSLGEAIS-FMIVXFBMSA-N 436.935 6.740 30 10 IKEE CCCCCCCCCCNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2n1CCCC 1875236884 FDYQXTFWOPVLOQ-UHFFFAOYSA-N 438.616 5.628 30 10 IKEE C=C(COC(C)C)[C@H](N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875652506 SRPOLXJPJHJQEV-NSOVKSMOSA-N 447.575 5.187 30 10 IKEE N#Cc1ccc(OC2CCN(C(=O)c3cccc(C(F)(F)F)c3C(F)(F)F)CC2)cc1 1890157832 RVWMANXBDNDKSO-UHFFFAOYSA-N 442.359 5.279 30 10 IKEE C=C(COCc1ccccc1)[C@H](NC)[C@@H]1C[C@@H](C(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1950363657 CSARNKHIZODWEK-ZLNRFVROSA-N 430.633 5.267 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]([C@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)C1 1993190762 KZZFZVQSRIRTLI-WMZOPIPTSA-N 435.590 5.024 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)[C@H]2CC[C@@H]21 2008464211 JIPKNHZADXKOEZ-IUKKYPGJSA-N 447.601 5.167 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)C1CC1 2009347423 FLUMOFYORWZJJE-GOTSBHOMSA-N 430.633 5.457 30 10 IKEE C=CCCCC[C@@H](NCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2009486849 JVVMNFGYBSXJBD-ZEQKJWHPSA-N 430.633 5.555 30 10 IKEE C[C@H]1CSC(N(C(=O)C=Cc2cn(CCC#N)c3ccccc23)c2ccc(Cl)cc2)=N1 2040436185 HJXRDGQFLUOQQG-KRWDZBQOSA-N 448.979 5.746 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(C)C 2051305463 KGXCXPLWCNOGLO-SDHOMARFSA-N 444.660 5.657 30 10 IKEE CCc1nn([C@H](c2ccc(C(F)(F)F)cc2F)C2CCC2)c(Br)c1C=NO 2079878043 IHCUBRUZFRLFPL-INIZCTEOSA-N 448.258 5.564 30 10 IKEE CC1(c2nn([C@H](c3ccc(C4CCC4)cc3)C(C)(C)C)c(Br)c2C=NO)CC1 2079983399 BLXLZYNOXCKYIR-HXUWFJFHSA-N 444.417 6.408 30 10 IKEE ON=Cc1c(C(F)(F)F)nn([C@H](c2ccc(C3CCC3)cc2)C2CC2)c1Br 2080004208 XHQNIHYSVCQUEN-MRXNPFEDSA-N 442.279 5.739 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]([C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccccc2)CC1 2082155992 PKNTZFBCNHAYFI-MPCDZSKCSA-N 443.588 5.794 30 10 IKEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Cl)c(Br)c1F 2097184798 VYAJPASPMDHWBF-YOEHRIQHSA-N 447.776 5.199 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CC[C@@H](Nc3cc(Br)cc(C#N)c3)C2)CC1 2162327886 KZZXVELIPMCZOW-QGZVFWFLSA-N 434.378 5.302 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(Nc3cc(Br)cc(C#N)c3)CCCCC[C@@H]12 2162344825 XSGXCVHYRMNQEC-WIYYLYMNSA-N 434.378 5.445 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CCC(Nc3cc(Br)cc(F)c3C#N)CC2)C1 2163689192 CAQVFZGIOGHQRP-UHFFFAOYSA-N 438.341 5.051 30 10 IKEE C=CC1(C[C@H](NCCC)c2cc(Br)ccc2I)CCC1 2168028449 MNMLNPSJZRXVNG-INIZCTEOSA-N 448.186 5.841 30 10 IKEE CC(C)(C)OC(=O)NC1CCC2(CC1)CC(Nc1cc(Br)ccc1C#N)C2 2176701938 IKQPASYLRXLZSG-UHFFFAOYSA-N 434.378 5.349 30 10 IKEE CC(C)(C)C#C[C@@H](N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2218465631 ILCDVAJXCKIOGR-SQHAQQRYSA-N 429.560 5.255 30 10 IKEE C=C(C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)c1ccccc1 2237411100 VHJXEJCRBLBGRQ-IBGZPJMESA-N 430.342 5.167 30 10 IKEE CCCCCCCCC(=O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237430398 BIZMXXAFHYAFSZ-LJQANCHMSA-N 440.422 6.205 30 10 IKEE C=CC[C@@H](C)[C@@H](NCCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237480005 BTETVLJCYZJXAD-LSTHTHJFSA-N 439.438 5.465 30 10 IKEE CCCCCCCCC[C@@](C)(CN)N(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2252908912 GPUYSARKDVEYTJ-SANMLTNESA-N 433.681 5.871 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)c1sc(C)c(Br)c1C 2275119179 IOMUBXCWYLSAKE-LJQANCHMSA-N 439.371 5.433 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Br)cc(C(C)C)c1 2280709790 XUVCFEFPEXKREN-WOJBJXKFSA-N 437.422 5.530 30 10 IKEE C[C@H](N(Cc1ccccc1)c1ccnc2ccc(B3OC(C)(C)C(C)(C)O3)cc12)C(C)(C)C 2285398615 SVWRCSXWYSEHSB-FQEVSTJZSA-N 444.428 5.975 30 10 IKEE CC(C)(C)OC(=O)NC1(C(=O)C#Cc2ccc(Br)cc2)CC(C(C)(C)C)C1 2296271375 FDCNCVHUQUQFQN-UHFFFAOYSA-N 434.374 5.089 30 10 IKEE Cc1cc(C)cc(CN=C2NC(=O)C(=Cc3ccc(OCc4ccccc4)cc3)S2)c1 2313540841 XEGZOABSFDUFLL-UHFFFAOYSA-N 428.557 5.643 30 10 IKEE C=CCN1C(=O)C(=Cc2c[nH]nc2-c2ccccc2)SC1=Nc1ccc(OCC)cc1 2314480555 HTQGORZHYXPDFP-UHFFFAOYSA-N 430.533 5.265 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2318877791 OBLJZVNVNLIQSD-NJDAHSKKSA-N 449.636 5.922 30 10 IKEE C=C(C)CSc1nnc(CC)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2321000327 DACANLMLHOBFNQ-UHFFFAOYSA-N 426.973 5.623 30 10 IKEE CSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccc(F)cc1 2321395000 LZVDTXKAKVUXCJ-UHFFFAOYSA-N 432.952 5.303 30 10 IKEE Cc1ccc(COc2cc(C)c3c(c2)OC(=Cc2ccc(Cl)cc2Cl)C3=O)cc1 2321745655 AYQWPWCBKOXNFU-UHFFFAOYSA-N 425.311 6.805 30 10 IKEE C=Cc1ccc(COc2ccc3c(c2C)OC(=Cc2cccc(OC)c2OC)C3=O)cc1 2321869596 QYHFRDNJBKRONR-UHFFFAOYSA-N 428.484 5.850 30 10 IKEE Fc1cccc(Cl)c1COc1ccc(C=Nn2c(S)nnc2-c2cccs2)cc1 2321946996 QKHSQNDZMIZBLD-UHFFFAOYSA-N 444.944 5.549 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)O3)CN([C@@H]1CCCC[C@@H]1C)CO2 2322153149 ISTDPIDYWOJCAF-MGPUTAFESA-N 434.492 5.250 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(C(C)C)cc1)C3=O)CN(Cc1ccccc1)CO2 2322312364 XFLHBVJLEINOGM-UHFFFAOYSA-N 425.528 6.087 30 10 IKEE Cc1ccccc1COc1ccc(Br)cc1C=CC(=O)c1ccc(F)c(F)c1 2322779976 ZWJWVPJESLNIRX-UHFFFAOYSA-N 443.287 6.511 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(ccc(OC(=O)c4ccccc4F)c3C)C2=O)cc1 2322795564 VOOUSZKQRSXWSQ-UHFFFAOYSA-N 445.490 5.816 30 10 IKEE C=CCOc1c(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)cc(Cl)cc1OC 2322828464 GZICQBPJRPTYLT-UHFFFAOYSA-N 427.711 6.125 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2ccccc2OCc2ccccc2F)cc1Cl 2322880849 CKZNRFCXALHNHP-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cc(Cl)ccc1OCc1ccc(F)cc1 2322926569 JQSWYDAMPFPSSW-UHFFFAOYSA-N 445.317 6.925 30 10 IKEE COC(=O)COc1ccc(Br)cc1C=CC(=O)c1cc(Cl)ccc1Cl 2322999273 UMZHFMXKXSZXBK-UHFFFAOYSA-N 444.108 5.204 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OCc3cccc(C)c3)c2)c(OCC)c1 2323283969 NLGOLYGOTNMROC-UHFFFAOYSA-N 446.543 6.276 30 10 IKEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)CCC(C)(C)C[C@@H]1CNC(=O)OC(C)(C)C 2323299583 HMDMONIKDHRLJH-RLWLMLJZSA-N 444.616 5.239 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4ccc(C(F)(F)F)cc4)cc(C)c3C2=O)cc1 2323352237 DVSYGKFGVKYRIV-UHFFFAOYSA-N 438.401 6.158 30 10 IKEE CCOc1cc(C=NS(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1Cl 2323446868 RCXUPQZTVBTUFF-UHFFFAOYSA-N 443.952 5.434 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccccc1 2323530643 TZYKVLZFEVEGID-UHFFFAOYSA-N 427.327 6.867 30 10 IKEE CC(C)(C)c1cc(C=Nn2c(S)nnc2COc2ccccc2)cc(C(C)(C)C)c1O 2323557523 WSWADORIRAHMNJ-UHFFFAOYSA-N 438.597 5.329 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)ccc1OCc1ccc(Cl)c(Cl)c1 2323627057 YTULGHZRBGVBSS-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE CCCCCCOc1ccc(C=NNc2nc(-c3ccc(C)c(C)c3)cs2)cc1OC 2323857902 ALKJLFCJJGHPTK-UHFFFAOYSA-N 437.609 6.841 30 10 IKEE CCOc1ccc(C=NNc2nc(-c3ccc(OC)cc3)cs2)cc1Br 2323865173 QXPNMDCBCZUUSC-UHFFFAOYSA-N 432.343 5.426 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1CC 2323915002 UKXSLRZWYDHQOD-UHFFFAOYSA-N 443.543 5.870 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OCc1cccc(C)c1 2323959833 NBZRVHFTSGBRAN-UHFFFAOYSA-N 426.556 6.824 30 10 IKEE Cc1cc(O)c(CN2CCC[C@@H](C)C2)c2c1C(=O)C(=Cc1cccc(Br)c1)O2 2324066432 KDHRYBPDFHYMEZ-CQSZACIVSA-N 442.353 5.311 30 10 IKEE CCCOc1c(Br)cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1OCC 2324073924 VRYDBRCSDBMHOC-UHFFFAOYSA-N 445.397 6.830 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OCc1ccccc1Cl 2324181949 XOLBKOFSTOAUII-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OCc1ccccc1F 2324455849 KDNKENLWFCWYAA-UHFFFAOYSA-N 430.519 6.655 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccccc2)C3=O)cc1 2324484300 WDNJFFDVWAVPAN-SFHVURJKSA-N 427.500 5.580 30 10 IKEE COc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 2324534735 DAFUOYROMJAWLF-MRXNPFEDSA-N 429.328 6.015 30 10 IKEE COC(=O)c1cccc(COc2ccc3c(c2C)OC(=CC=Cc2ccccc2)C3=O)c1 2324753053 AWWFPHYGIFOQJT-UHFFFAOYSA-N 426.468 5.533 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1OC(=O)c1ccccc1C 2325668853 FDRPXEKPDHVOIS-UHFFFAOYSA-N 448.518 6.786 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2cccc(C=CC(=O)c3ccc(Cl)cc3Cl)c2)c1 2325709697 VVVXDJLNKQFLKB-UHFFFAOYSA-N 425.311 6.726 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC(=O)CCc3ccc(CC)cc3)c2)cc1 2325712595 CQZWQLSTDXRNMX-UHFFFAOYSA-N 440.583 7.026 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccccc2F)c1)c1cccc(Br)c1 2325720798 KHYBDZOWNRGCLX-UHFFFAOYSA-N 425.253 5.704 30 10 IKEE CCCCCCCCC(=O)Oc1cc(C=CC(=O)c2ccc(OCC)cc2)ccc1OC 2325734249 ZSSDRAUTHRZSQO-UHFFFAOYSA-N 438.564 6.646 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2OC)cc1OC(=O)c1ccc(F)c(F)c1 2325742794 VQLZYMAGKLNLFN-UHFFFAOYSA-N 438.426 5.406 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)CC3CCCCC3)c2)c(OC)c1 2325760707 ACVIPIIMVYVYCL-UHFFFAOYSA-N 438.520 5.484 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccc(C)cc1 2326020549 GZYDVONPISXZEK-UHFFFAOYSA-N 426.973 5.412 30 10 IKEE CCCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccc(CC)cc1 2326021223 YSNIUCPUGLESRF-UHFFFAOYSA-N 443.016 5.890 30 10 IKEE Clc1ccccc1CCc1nnc(SCc2ccccc2)n1N=Cc1ccccc1 2327956899 XHYJPHRDGXXTRC-UHFFFAOYSA-N 432.980 5.891 30 10 IKEE C=CCSc1nnc(CCc2ccccc2OC)n1N=Cc1ccc(C(C)(C)C)cc1 2328699662 BEWYXSZCQTWPQO-UHFFFAOYSA-N 434.609 5.530 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3C)n2N=Cc2cccnc2)cc1C 2328926005 REOBIGQZZFUIGG-UHFFFAOYSA-N 441.604 5.558 30 10 IKEE C=CCSc1nnc([C@H](C)c2ccccc2)n1N=Cc1c(OC)ccc2ccccc12 2330118780 NAZBFYQTUKTQDS-GOSISDBHSA-N 428.561 5.752 30 10 IKEE Fc1ccccc1C=Nn1c(CC2CCCCC2)nnc1SCc1ccccc1Cl 2330275546 LRDNEDILGKBNAM-UHFFFAOYSA-N 442.991 6.368 30 10 IKEE Cc1ccc(O)c(C=Nn2c(Cc3ccccc3)nnc2SCc2ccc(F)cc2)c1 2330465136 FEIOKNPVGWKQFM-UHFFFAOYSA-N 432.524 5.197 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(Cl)c1OC(=O)C(F)(F)F 2330676737 DMILFKPQMSXNQM-UHFFFAOYSA-N 438.829 5.591 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1cccc(O)c1 2330874546 RDKMBNDIFUSCDT-UHFFFAOYSA-N 449.407 6.054 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc(C)cc(C)c3)c([N+](=O)[O-])c2)cc1 2330970888 SXIAOYRMMMORPW-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(C3CCCC3)n2N=Cc2ccc(Cl)cc2)cc1 2331051267 OVDKBQNTBCPNKC-UHFFFAOYSA-N 441.944 5.672 30 10 IKEE C[C@H](C(=O)Oc1ccc(C=CC(=O)c2ccccc2)cc1Br)c1ccccc1 2331169195 IXEGINAFAUGMCV-KRWDZBQOSA-N 435.317 6.054 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1ccc(C)c(C)c1 2331259693 OETGCDJTPUGKIY-UHFFFAOYSA-N 430.500 5.744 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1ccc(F)cc1F 2331260601 PZQLWXMLMIEYKM-UHFFFAOYSA-N 438.426 5.406 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)Cc1ccc(OC)cc1 2331281680 DQXIMQZVDDMYDJ-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE CCSc1nnc(CC(C)C)n1N=Cc1ccc(OCCc2ccccc2)c(OC)c1 2331449140 PYYCVSSNYOUBRL-UHFFFAOYSA-N 438.597 5.101 30 10 IKEE CCOc1ccc(C=Nn2c(CC(C)C)nnc2SCCc2ccccc2)cc1OC 2331456552 CGBIKLFAHDCYND-UHFFFAOYSA-N 438.597 5.101 30 10 IKEE Cc1ccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C2CCC2)cc1 2331534326 NXSUMBIMABIHBM-UHFFFAOYSA-N 431.392 6.335 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1ccc(F)cc1F 2331566139 KQDLPVHXGPYBAA-UHFFFAOYSA-N 444.380 5.757 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(C(C)C)n2N=Cc2ccc(C(C)C)cc2)o1 2331695724 IBHGLCKUASMXGK-UHFFFAOYSA-N 440.569 5.469 30 10 IKEE CCOc1c(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C(C)C)cccc1OC 2331707076 FRQYHURPNYSNCW-UHFFFAOYSA-N 444.988 5.637 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cncc(C)c3)c(Cl)c2)cc1Cl 2331819224 SXOITFQBMMAZAB-UHFFFAOYSA-N 442.298 5.821 30 10 IKEE N#Cc1nc(-c2ccc(Br)o2)oc1NN=Cc1ccc(Cl)c(Cl)c1 2331936597 TZSZHOQZLAFVPT-UHFFFAOYSA-N 426.057 5.322 30 10 IKEE C[C@@H](CCCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)CNC(=O)OC(C)(C)C 2339599277 LHHOREMCWFBRDR-SFHVURJKSA-N 446.397 5.046 30 10 IKEE O=C1C[C@H](c2cccc(Cl)c2)CC2=C1[C@@H](c1ccc(O)cc1)n1c(nc3ccccc31)N2 19634990 UROMXKGVJMDXEN-CRICUBBOSA-N 441.918 5.811 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(F)cc2)cc1 20881791 KSPGUQZKWQVSFD-PIIWDFAUSA-N 442.534 6.594 30 10 IKEE Cc1ccc(NC(=O)CCSc2n[nH]c(N/N=C/c3cccc4ccccc34)n2)cc1C 20905524 LFMDFFWQCHGXJV-MFKUBSTISA-N 444.564 5.142 30 10 IKEE O=C1C[C@@H](c2ccccc2Cl)CC2=C1[C@H](c1ccc(Cl)cc1)Nc1ccccc1N2 21254629 MEUOLVMOZCBCIP-LMKMVOKYSA-N 435.354 6.973 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NCc1ccco1)[C@@H]2c1ccccc1 21722095 NKIMWHYTPHUKNG-RUZDIDTESA-N 441.531 5.806 30 10 IKEE COc1ccccc1/C=C/C(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 27519868 LRMGKIOGSYAGQB-XNTDXEJSSA-N 436.305 5.606 30 10 IKEE biogenic CC1(C)[C@H](C(=O)Nc2ccccc2/N=C/C=C/c2ccc([N+](=O)[O-])cc2)CC[C@]1(C)C(=O)O 28296328 SQGJAJWFORJZOI-ALFHIDBXSA-N 449.507 5.476 30 10 IKEE Cc1noc2c1[C@H](c1ccc(Cl)c(Cl)c1)C1=C(C[C@@H](c3ccccc3O)CC1=O)N2 33026470 AKLUZVOIEKVLJU-ASSNKEHSSA-N 441.314 5.954 30 10 IKEE CC[C@H](C)c1ccc(OCC(=O)N(CCC#N)Cc2ccccc2)c(Br)c1 36563717 JRELDZNYVZPHTA-KRWDZBQOSA-N 429.358 5.284 30 10 IKEE Cc1cccc(/N=C2/S/C(=C\C(Cl)=C\c3ccccc3)C(=O)N2C2CCCCC2)n1 39863679 KLFOTPFAZZCSDO-KUVJQCTGSA-N 437.996 6.449 30 10 IKEE Cc1cc(OC(=O)c2ccc3c(c2)OCO3)cc2c1C(=O)/C(=C/C=C/c1ccccc1)O2 41291552 YRKUKUOYNUBAER-IITPSFRQSA-N 426.424 5.115 30 10 IKEE C=CCNC(=O)c1cc(-c2csc(COc3ccc(OC)cc3)n2)n(CC(C)C)c1C 43251546 HZXKRNDFMTWIPA-UHFFFAOYSA-N 439.581 5.079 30 10 IKEE N#Cc1c(NC(=O)CCSc2nc(-c3cccc(Cl)c3)n[nH]2)sc2c1CCCC2 59793792 QGGCCWWGTXVSIU-UHFFFAOYSA-N 443.985 5.058 30 10 IKEE CCCCCCCOc1cccc(NC(=O)[C@H](CC)Oc2ccc(-c3ccccc3)cc2)c1 100246482 PXUDNHYSOGLSIH-NDEPHWFRSA-N 445.603 7.499 30 10 IKEE CCCCCCCOc1c(Cl)cc(C(=O)Nc2nnc(CC(C)C)s2)cc1Cl 101139683 ANBQPQQXKSRYBO-UHFFFAOYSA-N 444.428 6.645 30 10 IKEE O=C1/C(=C\c2ccc(Cl)cc2Cl)Oc2cc(OS(=O)(=O)c3ccccc3)ccc21 102735039 BAXMYSXAAMYRBC-KEBDBYFISA-N 447.295 5.377 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccc2OC)cc1 169940006 SFCHDFQWHLOVRY-HSZRJFAPSA-N 431.463 5.180 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2cccc(C)c2)cc1 169968458 DNLXCNHRZJEVMK-QHCPKHFHSA-N 449.453 5.455 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1cccs1)c1c[nH]c2ccccc12 169983704 VQSFJBBRZVYNEU-FQEVSTJZSA-N 436.439 5.291 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccccn2)cc1 169994913 FWTZIWPLDXWVEP-QHCPKHFHSA-N 440.455 5.009 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccnc2)cc1 170002666 APPCAFIKGMZPNQ-DEOSSOPVSA-N 438.483 5.734 30 10 IKEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4cccc(Cl)c4)[C@@H]3c3ccccc3)nc2c1 170055995 ABBDHBKFIHDZOG-NRFANRHFSA-N 443.890 5.308 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(OC)cc2)c1 170113412 QPJYLRQFDVCCBM-XMMPIXPASA-N 443.499 5.267 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@H]1c1ccc(OC)cc1 170116764 KPMKAIWCCFWOMW-HSZRJFAPSA-N 437.536 5.171 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C(C)(C)C)ccc3C)[C@H]2c2cccs2)cc1 170159711 QGYVGXPPJBEHNA-HSZRJFAPSA-N 445.584 6.445 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccccn2)c1 170172530 WIZSMXXOXSWUBP-RUZDIDTESA-N 434.495 5.635 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1ccc(F)cc1 170238951 DRVFDNVCVABOEM-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@H]1c1ccc(C)o1 170302627 ADRKVUSWQNOKIK-QFIPXVFZSA-N 435.451 5.135 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2cccc(Cl)c2)o1 170303571 QRJMAOIJWOYOJF-QHCPKHFHSA-N 443.886 6.178 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2c2ccc(F)cc2F)o1 170305812 XTAQZRAREWWHCR-HSZRJFAPSA-N 449.453 5.528 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cc4cc(Cl)ccc4o3)=C(O)C(=O)N2C2CCCC2)o1 170311027 QKTZKVDNEIDCLI-FQEVSTJZSA-N 425.868 5.509 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2sccc2C)ccc1F 170313948 PNCLYMSZGXFYFW-IBGZPJMESA-N 425.456 5.426 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)NC[C@H]1CCCC[C@@H]1C(=O)OC 170506424 HLHLGLYWCAIJOU-RPBOFIJWSA-N 437.709 7.344 30 10 IKEE CCn1c2ccccc2c2cc(C=NN3CCN(Cc4cccc5ccccc45)CC3)ccc21 252601939 FEHGYSRKLNBPIC-UHFFFAOYSA-N 446.598 6.119 30 10 IKEE Cc1ccccc1N=C1S/C(=C\c2ccc3c(c2)OCO3)C(=O)N1c1ccccc1C 252603611 FSNQOLKXMCXULO-WPCCGSCNSA-N 428.513 5.841 30 10 IKEE C=C(C)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@H]4[C@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@H]5CC[C@@]43C)[C@H]12 253591489 RFCPTXGFYWKJJB-PTGOOTIBSA-N 442.728 6.997 30 10 IKEE CCOc1ccc(-c2n[nH]c(=S)n2NN=Cc2c3ccccc3cc3ccccc23)cc1 254396797 WPSSPCAABJONCJ-UHFFFAOYSA-N 439.544 5.890 30 10 IKEE COCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=Nc1ccc2c(c1)CCC2 254704601 RYMBHTOVCQXSJZ-RFWMZAAKSA-N 426.969 5.469 30 10 IKEE Cc1ccccc1NC(=O)c1cc2ccccc2c(C=Nc2ccc([N+](=O)[O-])cc2)c1O 254852029 DDQDEMFPGBNFTC-UHFFFAOYSA-N 425.444 5.765 30 10 IKEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(COc2cccc(OCc3ccccc3)c2)c1 399144219 CUYOEWBDQSLXHF-UHFFFAOYSA-N 446.352 5.152 30 10 IKEE CCCCCCCC[C@@H](NCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 406948922 JCNQTRRYMMKSQP-LJQANCHMSA-N 441.454 7.197 30 10 IKEE Cc1ccsc1[C@H]1C(c2ccc(Cl)cc2Cl)=C(O)C(=O)N1c1ccccc1C#N 526608735 MYWRPQQGXJGTOG-LJQANCHMSA-N 441.339 6.292 30 10 IKEE CC(C)c1ccc(/C=C/C(=O)[C@H]2C[C@@H](NC(=O)c3cc(Cl)cc(Cl)c3)CCN2)cc1 585854820 WVJBCMQAAJWWQD-MOWWVVRESA-N 445.390 5.250 30 10 IKEE CC(C)(C)c1ccc(S(=O)(=O)N(CCCC#N)c2cccc(OC(F)(F)F)c2)cc1 586252367 YJPIRVKXLYCZSL-UHFFFAOYSA-N 440.487 5.382 30 10 IKEE CCCCCCC[C@H](O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 686845570 YCEGCWIOTZGKHD-QHCPKHFHSA-N 432.649 5.657 30 10 IKEE N#Cc1c(Br)cccc1Nc1cc(Br)cc(Br)c1 690320841 IFNPURIWJLUEKM-UHFFFAOYSA-N 430.925 5.589 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H]1CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CC1 698876950 JWAIXVMPJZMMRK-KHCICDEESA-N 433.593 5.238 30 10 IKEE Clc1ccccc1-c1ccc(Br)c(-c2cccc(C#Cc3ccccc3)c2)c1 725389191 ANHSZADJVHVHNG-UHFFFAOYSA-N 443.771 7.836 30 10 IKEE COc1cccc(CSc2n[nH]c(NN=Cc3cccc(Oc4ccccc4)c3)n2)c1 1083953743 FSCRYUKWVJRNNG-UHFFFAOYSA-N 431.521 5.344 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)CCSc2n[nH]c(NN=C(C)c3cccs3)n2)cc1 1084178013 GHWLHJHPYOVNQQ-CQSZACIVSA-N 442.614 5.337 30 10 IKEE CCNC(=S)NN=Cc1cc(Cl)c(OCc2cccc3ccccc23)c(OCC)c1 1084227511 LWWCJEORTONEHV-UHFFFAOYSA-N 441.984 5.289 30 10 IKEE O=C1/C(=C/C=C/c2ccccc2)S/C(=N\N=C/c2ccc(Cl)cc2)N1Cc1ccco1 1554646225 SOJHFCZKWQZDRS-GZICONIUSA-N 447.947 5.996 30 10 IKEE CCOc1ccc(/C=C2\SC(=Nc3nccs3)N(c3ccccc3)C2=O)cc1OC 1772733042 GRNUYNXCWKKRAW-NSMWAFFQSA-N 437.546 5.359 30 10 IKEE CC(=C\c1ccccc1)/C=C1/SC(=Nc2cccc(C(=O)O)c2)N(c2ccccc2)C1=O 1772733481 ATUDHUJHRJYQAY-PPVQHZIZSA-N 440.524 6.140 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)SC1=Nc1nnc(C)s1 1772735305 FOAOGIVTYMEBFM-NOPVENIWSA-N 430.942 5.384 30 10 IKEE Cc1c(N=Nc2ccccc2C(F)(F)F)c(O)n([C@H](C)c2ccccc2)c(=O)c1C#N 1772740970 ORYXNBPHQJPXCC-CQSZACIVSA-N 426.398 5.778 30 10 IKEE OCc1cnc(-c2c(F)c(F)c(F)c(F)c2F)c(-c2c(F)c(F)c(F)c(F)c2F)c1 1848358414 DVOVZYUNZIHFBM-UHFFFAOYSA-N 441.224 5.299 30 10 IKEE COc1cc2cc(C#N)c(SCC(=O)Nc3ccc(Cl)cc3Cl)nc2cc1OC 1858204852 WQHPLAFZDVPGLW-UHFFFAOYSA-N 448.331 5.161 30 10 IKEE CCCCCCCOc1cccnc1NC(=O)NCCCCCCCCCCC(=O)O 1858799264 SYVNIOCXUSDBBI-UHFFFAOYSA-N 435.609 6.148 30 10 IKEE N#Cc1ccccc1NC(=O)c1nn(Cc2ccccc2F)c(-c2ccc(F)cc2)c1Cl 1859385540 VFDIMCGVCXIHNW-UHFFFAOYSA-N 448.860 5.654 30 10 IKEE CCCCCCNC(=S)N/N=C/c1c(C(C)C)nc2c(Cl)cc(C(F)(F)F)cn12 1860499379 MRRVKOPAUMNGEY-KIBLKLHPSA-N 447.958 5.508 30 10 IKEE CCCCCCCCCCNC(=O)CNC(=O)CCCOc1ccc2ccccc2c1 1861693870 RGWHEDGEMSECBP-UHFFFAOYSA-N 426.601 5.372 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccccc1C 1862379962 PRWOQGHVYXASED-FQEVSTJZSA-N 432.347 6.070 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 1862393417 VRRZJMGMUHHQAZ-QHCPKHFHSA-N 448.519 5.458 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 1862394183 JWRZSZKMFIQHHZ-NRFANRHFSA-N 446.374 6.323 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc2cc[nH]c2c1)c1ccccc1Cl 1862432392 CXEGEAXAOKETIX-NRFANRHFSA-N 448.931 5.661 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)c1 1862444534 AJMXZCQAUVUYPP-HJPURHCSSA-N 447.918 5.688 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc(F)c2)cc1 1862473356 ANMFAPRBWJNWBG-BVZFJXPGSA-N 443.518 6.036 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862532320 VZQFLAYLYLPRMV-VZPUWSDOSA-N 448.519 5.314 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2cccc(Cl)c2)cc1 1862535994 OMFKUGMRSCBYJY-DEOSSOPVSA-N 445.946 5.723 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)c1 1862596751 OLKZKTKQFCQYKK-OUPRXKBMSA-N 449.547 5.338 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C2CCCC2)cc1 1862599537 IFXUATCELLUVDL-DEOSSOPVSA-N 449.547 5.482 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1c(Cl)cccc1Cl 1862642975 JYHDGUHIGMNTEY-SFHVURJKSA-N 438.282 5.129 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CC)cc1OCC 1862657072 UOCYZDBUSBQUSY-DEOSSOPVSA-N 445.515 5.235 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccccc1F 1862661728 GJDMYZQAGBCGHZ-HSZRJFAPSA-N 439.527 5.343 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862662323 HFMAYVGYYVYYFS-SANMLTNESA-N 445.603 6.674 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccc(F)cc2)cc1 1862688344 VEJQOQFUGLWPLD-QHCPKHFHSA-N 435.495 5.303 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(Br)cc1 1862718973 IKUNXKLVYIQWDL-FQEVSTJZSA-N 436.305 5.201 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2CC)cc1 1862729238 TZVLZNUTWRVTCX-RUZDIDTESA-N 441.527 5.741 30 10 IKEE Cc1cccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccccc3Cl)C2=O)c1C 1863069880 KRNMYDHGOLLJQB-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCOC(C)C)=C(c2c[nH]c3ccccc23)C1=O 1863817624 LFEGOCKSWZJXAC-UHFFFAOYSA-N 439.600 5.013 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N=c1cc(-c2nccs2)[nH][nH]1 1866032273 IBZRQQMMHZXFPK-UHFFFAOYSA-N 432.678 7.155 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)c2cc3c(ccc4ccccc43)o2)c1 1866255903 LIMXCDMBWGLQKO-UHFFFAOYSA-N 430.463 6.249 30 10 IKEE C=CCN(CC=C)c1cc(N(C)CCC(=O)OCC)nc(-c2ccc(C(C)(C)C)cc2)n1 1867995272 GQJGKIPNYFAFBY-UHFFFAOYSA-N 436.600 5.009 30 10 IKEE Cc1ccc2c(c1)CCN(c1cc(Nc3ccccc3C#N)nc(C(C)C)n1)[C@H]2CC(C)C 1868238378 PBPMIJBXFOMPHH-VWLOTQADSA-N 439.607 6.674 30 10 IKEE CC(C)c1cc(C(C)C)cc(-n2nnc(C#N)c2NC(=O)c2ccc(-n3cccc3)cc2)c1 1870154317 QUNWHPBAOSKRHE-UHFFFAOYSA-N 438.535 5.429 30 10 IKEE CCCCCCCCCCn1cc(OCCCCCC)c(=O)cc1CN1CCOCC1 1870673342 GOVYFPZKBCQRKK-UHFFFAOYSA-N 434.665 5.780 30 10 IKEE CCCCCCCCCCn1cc(OCCCCCC)c(=O)cc1CN1CCN(C)CC1 1870673351 HCQVHENPGSGNFW-UHFFFAOYSA-N 447.708 5.696 30 10 IKEE CCCCCCCCCCn1cc(OCCCC)c(=O)cc1CNc1ccc(OC)cc1 1871112388 AZGJFEYJSLLKAS-UHFFFAOYSA-N 442.644 6.789 30 10 IKEE C=CCn1cc(OCc2ccccc2Cl)c(=O)cc1CNc1ccc(Cl)c(C)c1 1871242280 OLGMOWBZIYOLIV-UHFFFAOYSA-N 429.347 5.841 30 10 IKEE Cc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)cc1C 1871372281 ITDUVNRTIJFTTG-KSEXSDGBSA-N 428.440 5.176 30 10 IKEE Cc1cc(OC(=O)Cc2ccc(Cl)c(Cl)c2)cc2c1C(=O)/C(=C/c1ccco1)O2 1871377165 XWMPMCUBMARAQB-GRSHGNNSSA-N 429.255 5.659 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871381720 DLGBVTFOHUWTKX-UCQKPKSFSA-N 428.440 5.064 30 10 IKEE Cc1cc(O)c(CN2CCC[C@@H](C)C2)c2c1C(=O)/C(=C/c1ccc(Cl)c(Cl)c1)O2 1871396410 DQSHWDMLJJRFHY-CFFVULROSA-N 432.347 5.856 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCCCOc4ccccc4)cc(C)c3C2=O)cc1 1871398296 NKVZXFPMOOUNMW-UQQQWYQISA-N 430.500 5.858 30 10 IKEE Cc1cc(OCCOc2cccc3ccccc23)cc2c1C(=O)/C(=C/c1cccc(F)c1)O2 1871415581 JSQAZKMEEFECCP-QQXSKIMKSA-N 440.470 6.361 30 10 IKEE CCCC[C@H](Oc1cc(C)c2c(c1)O/C(=C\c1ccccc1Br)C2=O)C(=O)O 1871423636 VUWVBOHPRGQKDP-BEWREHSGSA-N 445.309 5.396 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccc2c(c1C)O/C(=C\c1cccc(Cl)c1)C2=O 1871440612 YDAUPDATUVKQNM-XKZIYDEJSA-N 447.918 5.899 30 10 IKEE CCCCCCCCN=c1nc(N(CCC)CCCC)[nH]c(=Nc2ccccc2CC)[nH]1 1871559426 XFXWATJPBPOAEY-UHFFFAOYSA-N 440.680 5.810 30 10 IKEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1 1871824672 LSVNMIDFAXJZOW-KRWDZBQOSA-N 434.989 5.057 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 1871836363 QEPRQCQUSBRQFZ-XMMPIXPASA-N 442.625 5.493 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)c(C)c1)[C@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1871912415 VMXCZNHHDPBXIX-UZUQRXQVSA-N 446.588 5.063 30 10 IKEE CCc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(OC(C)=O)c(OC)c3)n2)cc1 1872761175 HYHBVFULWQAGLZ-OEMHODTASA-N 446.528 5.196 30 10 IKEE COc1c(Cl)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)c2ccc(Cl)s2)n1 1872778744 SJPKFEXSKCBTQT-SNVBAGLBSA-N 443.764 6.330 30 10 IKEE CCc1ccc([C@@H](C)NC(=O)c2ccc(CSc3nc(C)c(C)c(C)c3C#N)cc2)cc1 1872895168 GCUXMUBPJLUJNG-HXUWFJFHSA-N 443.616 6.224 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(F)cc2)C(=O)N([C@@H]2CCCC[C@@H]2C)C1=O 1873137698 KPEORQXFNMTKRI-NZQKXSOJSA-N 442.619 6.215 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(F)c(F)c2)=C(c2cccnc2)C1=O 1873265501 MUTPRSJSMJVZJV-UHFFFAOYSA-N 441.522 5.693 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccccc2)=C(c2cc(F)cc(F)c2)C1=O 1873316099 YFGFKNARHBQKCS-UHFFFAOYSA-N 440.534 6.298 30 10 IKEE CCCCOc1ccc(/C=N/Nc2oc(-c3ccc(Br)o3)nc2C#N)cc1 1873461963 GXRJTZCCKFONAD-WSDLNYQXSA-N 429.274 5.194 30 10 IKEE COC(=O)c1nc(-c2cccs2)oc1N/N=C/c1ccc(OCc2ccccc2C)cc1 1873464337 ZAJHQUCRKINBSP-AFUMVMLFSA-N 447.516 5.523 30 10 IKEE CCCCCCCCCCNC(=O)c1cc2c(N3CCCCC3)ncnc2n1CCC 1873575363 XUUQWQAVCUNFNU-UHFFFAOYSA-N 427.637 5.702 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(F)c(Cl)c2)cc2c(N(CCC)CCCC)ncnc21 1873659289 KHXJJKAYBKVGEZ-UHFFFAOYSA-N 443.954 5.679 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)cc2C)cc2c(N(CCCC)CCCC)ncnc21 1873662544 SMUVROKMHIXZKB-UHFFFAOYSA-N 433.600 5.893 30 10 IKEE CC[C@H](C)c1ccccc1NC(=O)CCc1c(C)c(C#N)c2[nH]c3ccccc3n2c1=O 1873918531 SQABWQYALDWZTI-INIZCTEOSA-N 426.520 5.046 30 10 IKEE CCOc1ccc(OCc2nnc(SCCc3ccccc3)n2/N=C/c2ccco2)cc1 1874236098 OTTCGUWQQALUOU-KOEQRZSOSA-N 448.548 5.066 30 10 IKEE CCCOc1ccccc1/C=N/n1c(COc2ccc(Cl)cc2)nnc1SCCC 1874264591 GILXDLPNYBGGKJ-BUVRLJJBSA-N 444.988 5.684 30 10 IKEE COc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2cccc(F)c2)cc1 1874292222 SJBSQLLVBNXXOM-CVKSISIWSA-N 448.523 5.179 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1ccccc1 1874295966 CXUBWWDYKCEOBZ-PCLIKHOPSA-N 443.532 5.260 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccc(C)c(C)c3)n2/N=C/c2ccncc2)c1 1874319206 FXCDBRZWNZJXAL-JFLMPSFJSA-N 443.576 5.352 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccccc2)cc1C 1874319976 SLUIYHNJQDXLLT-JFLMPSFJSA-N 446.551 5.788 30 10 IKEE Cc1ccc(OCc2nnc(SCCc3ccccc3)n2/N=C/c2ccncc2)c(C)c1 1874327801 HLVJARXGCINTOJ-WPWMEQJKSA-N 443.576 5.086 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1cccc(Cl)c1 1874330574 UVZFNPIRXVCWSQ-AFUMVMLFSA-N 425.001 5.884 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2/N=C/c2ccccc2F)cc1 1874356245 ZANYRIASRXNWAX-LQKURTRISA-N 444.579 6.108 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(C(F)(F)F)cc1 1874367351 XYUBBFMBXRULFC-OPEKNORGSA-N 436.890 6.168 30 10 IKEE COc1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SCc2ccc(C)cc2)cc1 1874373044 FFVUBEXSLKYRMW-JVWAILMASA-N 446.551 5.500 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2ccc(Cl)cc2)cc1 1874390154 XLEUEKWVPZTIKO-OVVQPSECSA-N 447.007 6.048 30 10 IKEE C=C(C)CSc1nnc([C@H]2CCCO2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874446695 IWEQVYCBVXTVLK-BHSKHCGUSA-N 434.565 5.259 30 10 IKEE Oc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2[C@H]2CCCO2)c1 1874450658 HNELHYBVIXYKJD-TYLRVVQJSA-N 449.363 5.317 30 10 IKEE O=C(CSc1nnc(C2CCCC2)n1/N=C/c1ccccc1Cl)Nc1ccccc1 1874452327 PUAIWMFDUDVMSJ-ZVHZXABRSA-N 439.972 5.202 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874478346 WDEHPBAICCVKLL-VULFUBBASA-N 432.515 6.122 30 10 IKEE COc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2ccc(Cl)c(Cl)c2)cc1 1874492639 WZQNRUKOBICEIZ-WYMPLXKRSA-N 449.407 5.967 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(OCC)cc1 1874511259 QVACLXMRVFFOSD-ZMOGYAJESA-N 449.407 6.111 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C(C)C)cc1 1874515870 UHDIOVPGUOWHHK-WYMPLXKRSA-N 449.407 6.282 30 10 IKEE CCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1/N=C/c1ccc(C(C)C)cc1 1874522268 KWWKUCTUNSBIGD-AFUMVMLFSA-N 435.597 5.194 30 10 IKEE CCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1/N=C/c1cccc2ccccc12 1874525261 FDQCZSKPHIMULG-CVKSISIWSA-N 443.576 5.224 30 10 IKEE CCc1ccc(C(=O)/C=C/c2c(OCC(=O)Nc3ccccc3C)ccc3ccccc23)cc1 1874573066 UCCXWWUCLUOTNX-ISLYRVAYSA-N 449.550 6.624 30 10 IKEE Cc1ccc(C(=O)/C=C/c2c(OCC(=O)NCc3ccccc3)ccc3ccccc23)c(C)c1 1874578894 LOZCZETXOYIEKE-FOCLMDBBSA-N 449.550 6.048 30 10 IKEE COc1c(Br)cc(Br)cc1/C=C/C(=O)c1c(C)cc(C)cc1C 1874589911 JBMQMHBNVKFCIN-AATRIKPKSA-N 438.159 6.042 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1OCc1ccccc1C 1874596166 HWXAPNYEINSTOV-YRNVUSSQSA-N 427.327 6.786 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OCC(=O)Nc1ccc(F)cc1 1874597588 VMSOAVWZKCEIEF-LNKIKWGQSA-N 447.506 5.871 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OCC(=O)Nc2ccc(C)cc2C)c1 1874600849 GUFJZDNWWQKIQH-DHZHZOJOSA-N 449.934 5.879 30 10 IKEE COC(=O)c1ccc(COc2cccc(/C=C/C(=O)c3cc(Cl)ccc3OC)c2)o1 1874601018 OLRKTTIKZCYALM-RMKNXTFCSA-N 426.852 5.203 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OCc1ccc(Cl)cc1Cl 1874612627 DYNALWFOXKDVFM-KRXBUXKQSA-N 449.280 6.755 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccccc1C 1874615174 KXTYWUSCWMRHLX-SFQUDFHCSA-N 442.555 6.606 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])cc1 1874616306 SCYMOYPKRXHJRK-RIYZIHGNSA-N 444.487 5.379 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1OC(=O)CCOc1ccccc1 1874704723 YFFFEZXVXIRYSX-ZRDIBKRKSA-N 446.499 5.283 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc(Cl)c1OC(=O)C1CCC1 1875080842 VCJZDPBDLKXLCA-XNTDXEJSSA-N 446.930 6.617 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)CCCOc1ccccc1 1875137062 ULNZFEWYLBEUJR-GHRIWEEISA-N 444.527 6.054 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)c1cccc(Cl)c1 1875140312 ZYVQDZPWVRSZHX-ZRDIBKRKSA-N 434.919 6.471 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(Br)c3)cc2)ccc1F 1875140940 GFAWFKFKXFNJJM-KPKJPENVSA-N 439.280 6.012 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccs2)c(Cl)c1)c1ccc2c(c1)OCCO2 1875146292 NELNYWNGROELMI-ZZXKWVIFSA-N 426.877 5.288 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)COc1ccccc1 1875166291 FCDCPWQGKHZPES-JLHYYAGUSA-N 446.499 5.201 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N1CCCC1)n2Cc1ccccc1 1875216732 QJHLDYKWBMZKPK-UHFFFAOYSA-N 433.600 5.488 30 10 IKEE C#CC[C@H](C)C[C@H](NCCC)c1ccc(I)c(Br)c1 1887452208 JTGKCJCKUXXLQT-LRDDRELGSA-N 434.159 5.144 30 10 IKEE N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)c3cc(-c4ccccc4)nc4ccccc34)C2)c1 1891648026 QXHHQRDDIRUPDG-OAQYLSRUSA-N 448.526 5.100 30 10 IKEE C=CCCCSC(C)(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1892307376 JYXVTVVKYGFSIW-QFIPXVFZSA-N 439.577 5.456 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1cccc(Br)c1Br 1922091271 HSLJNLIHBWRCAY-IBGZPJMESA-N 439.191 5.635 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 1944736207 KVQWFUZFDOMBKV-RBUKOAKNSA-N 433.524 5.249 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1csc(Cl)c1 1948779094 GHGJQCIXMJDUIY-CQSZACIVSA-N 427.751 6.170 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)c1 2031659897 IGTZERUSKDWYHB-NRFANRHFSA-N 443.588 6.558 30 10 IKEE CC1(C)OB(c2cc(Cl)cnc2Oc2cccc(OCc3ccccc3)c2)OC1(C)C 2052493183 UQKBEFHJOFQWFA-UHFFFAOYSA-N 437.732 5.406 30 10 IKEE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)c2ccc(C(F)(F)F)c(C#N)c2)C1 2055660845 MQVYDZAONIGXCW-UHFFFAOYSA-N 447.457 5.135 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C12CCC2 2057184193 CGVZDDMDEVRJNC-XMMPIXPASA-N 445.535 5.393 30 10 IKEE C=CCN(CC[C@H](Cc1cccc(Cl)c1Br)NCC)C(=O)OC(C)(C)C 2099287181 HKHWJNYIYYWYJH-MRXNPFEDSA-N 445.829 5.436 30 10 IKEE CC[C@H]1CC[C@H](Nc2ccc(C#N)c(Br)c2F)CN1C(=O)OC(C)(C)C 2105983238 KUXMSGVTJWQHHB-KBPBESRZSA-N 426.330 5.050 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](CNc2cccc(Br)c2C#N)C(F)(F)CC1 2162284034 JMHXUZFZOPADCC-ZDUSSCGKSA-N 444.320 5.015 30 10 IKEE N#Cc1c(F)cc(Br)cc1N[C@@H]1CCN(Cc2ccccc2)CC12CCC2 2163698121 MOAMNSQCUUYZRF-OAQYLSRUSA-N 428.349 5.317 30 10 IKEE CCC[C@@H]1CCOCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2165342219 DGTOWFJIWMTZMX-IERDGZPVSA-N 437.378 5.680 30 10 IKEE COc1cc(Br)ccc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(C)cc1 2165552399 ZVQHQQMYEFTSHW-GOSISDBHSA-N 431.330 5.773 30 10 IKEE CC1(C)C[C@H](CNc2ccc(C#N)c(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2172550819 AETUJDMBGWSNMO-CYBMUJFWSA-N 440.357 5.155 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(C#N)cc2Br)CC12CCCC2 2194601245 UARHKCTWVNLQAT-INIZCTEOSA-N 434.378 5.445 30 10 IKEE CCCCCCC[C@H](N)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229110699 FFBXZBSRLWYEFU-RBUKOAKNSA-N 427.427 5.573 30 10 IKEE C=CCCCC[C@H](NC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229117209 WZVMFURZTGGARK-RBUKOAKNSA-N 425.411 5.219 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)C(CC)(CC)CNC(=O)OC(C)(C)C 2235734454 XEGJVBVVDFOINB-IBGZPJMESA-N 437.422 5.110 30 10 IKEE C#CCCCCC[C@H](NC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237422634 YPHAOOJKSBNEFZ-PMACEKPBSA-N 437.422 5.057 30 10 IKEE C=CCCC1(C(=O)c2ccc(Br)cc2Cl)CN(C(=O)OC(C)(C)C)C1 2254928437 OEGDNVOHXTURMA-UHFFFAOYSA-N 428.754 5.489 30 10 IKEE Cc1sc(C(=O)N(Cc2ccccc2)CC(C)(C)C)c(C)c1B1OC(C)(C)C(C)(C)O1 2255599002 UDBANLURGWJEKZ-UHFFFAOYSA-N 441.446 5.353 30 10 IKEE C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2255851802 VYAPSIBNTCWYDO-QGZVFWFLSA-N 437.370 5.044 30 10 IKEE CC1(C)OB(c2cc(F)ccc2C(=O)N(Cc2ccccc2)C2CCCCC2)OC1(C)C 2266977641 YGZSXFGINLTQBU-UHFFFAOYSA-N 437.364 5.100 30 10 IKEE CC(C)N(Cc1ccccc1)C(=O)c1ccc2cc(B3OC(C)(C)C(C)(C)O3)ccc2c1 2267506127 SLYVKZUNVRVENY-UHFFFAOYSA-N 429.369 5.190 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Cl)cc1C(=O)C#Cc1ccc(Br)cc1 2278731002 UKZMJBMLIRXNMD-UHFFFAOYSA-N 434.717 5.684 30 10 IKEE CCCc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)cc1 2283520730 FUCBVEFIQIIASG-HXUWFJFHSA-N 429.358 6.408 30 10 IKEE CCOc1ccccc1C=C(C(=O)c1ccc(OC)c(OC)c1)c1nc2ccccc2o1 2297471997 XWMNOIHRMLZFIL-UHFFFAOYSA-N 429.472 5.667 30 10 IKEE COc1ccc(CN2C(=O)C(=Cc3ccc(-c4ccc(C#N)cc4)o3)SC2=S)cc1 2297576826 DOLWQDHBWDPZEW-UHFFFAOYSA-N 432.526 5.228 30 10 IKEE CCOC(=O)[C@@H](Oc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O)c1ccccc1 2314438148 IZWGPLFQSZNKLX-DEOSSOPVSA-N 434.875 5.639 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2c2nccs2)cc1 2314474695 LARMWQFPCHDOAN-QFIPXVFZSA-N 444.556 5.623 30 10 IKEE O=C(C=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(NC(=O)c2ccco2)cc1 2314523075 IEHBAUKWMFELCG-UHFFFAOYSA-N 428.400 5.596 30 10 IKEE Fc1cccc(Cl)c1CSc1nncn1N=Cc1ccc(Br)cc1 2321347132 HNGKSFOAOHLCLL-UHFFFAOYSA-N 425.714 5.008 30 10 IKEE Cc1ccsc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(Cc1ccc2c(c1)OCO2)C3 2322102801 JAQNVZOOSAZUBA-UHFFFAOYSA-N 447.512 5.062 30 10 IKEE CCCCC[C@@H](CC)N1COc2c(cc3c(c2C)OC(=Cc2ccc(N(C)C)cc2)C3=O)C1 2322356795 MJPFEVPJPVFAMF-JOCHJYFZSA-N 448.607 6.188 30 10 IKEE Cc1cccc(CN2COc3c(cc4c(c3C)OC(=Cc3ccc(C(C)C)cc3)C4=O)C2)c1 2322432486 NOMMIIZEKKSLFO-UHFFFAOYSA-N 439.555 6.395 30 10 IKEE O=C(C=Cc1c(OCc2cccc3ccccc23)ccc2ccccc12)c1ccc(F)cc1 2322748098 XXRHLWSSAKCXMV-UHFFFAOYSA-N 432.494 7.607 30 10 IKEE COc1cccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)c1OCc1cccc(Cl)c1 2322844872 BFLJRPHBLGIKKM-UHFFFAOYSA-N 434.963 7.057 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc(OC(=O)c3c(F)cccc3Cl)c2C)C1=O 2323354431 ALKBYBYQCSINEP-UHFFFAOYSA-N 438.838 5.632 30 10 IKEE Cc1cccc(COc2ccc(C=CC(=O)c3ccc(Cl)cc3Cl)cc2Cl)c1 2323514465 AORPZHRQCYLWME-UHFFFAOYSA-N 431.746 7.430 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OC(=O)c4ccc(OCC)cc4)ccc3C2=O)cc1 2323790438 FHXPNSPREBFNFI-UHFFFAOYSA-N 430.456 5.319 30 10 IKEE CCCCCOc1ccc(C=NNc2nc(-c3c(C)cc(C)cc3C)cs2)cc1OC 2323854694 PRQGMDCDYDXDAH-UHFFFAOYSA-N 437.609 6.759 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OCc3c(F)cccc3Cl)c([N+](=O)[O-])c2)ccc1F 2323972773 ZXAVDGIOVYLYCI-UHFFFAOYSA-N 443.833 6.310 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 2324186166 LKEGQLWMJOPFKD-UHFFFAOYSA-N 446.261 6.516 30 10 IKEE N#C[C@@H](C(=O)C=Cc1ccc2c(c1)OCCO2)c1nc(-c2ccc3c(c2)CCCC3)cs1 2324356803 ZOKKWRFGXVUMNH-NRFANRHFSA-N 442.540 5.350 30 10 IKEE Cc1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccccc2)C3=O)c1C 2324499267 XGDHPFUPFCJATN-LJQANCHMSA-N 427.500 5.634 30 10 IKEE N#C[C@@H](C(=O)C=Cc1ccc(Cl)cc1Cl)c1nc(-c2cccc3ccccc23)cs1 2324637570 OFKWSDGMNBVLAM-FQEVSTJZSA-N 449.362 7.160 30 10 IKEE CCCCCCOC(=O)COc1ccc2c(c1C)OC(=Cc1cn(C)c3ccccc13)C2=O 2325027933 ZZUHFGBYESOONL-UHFFFAOYSA-N 447.531 5.605 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OCc4ccc(C(=O)OC(C)C)o4)c3C)C2=O)cc1 2325388059 HPEXHFZDXNHEHF-UHFFFAOYSA-N 446.499 5.911 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCCC(=O)Nc4ccccc4)cc(C)c3C2=O)cc1 2325485704 HIOHNZYNMYBXCC-UHFFFAOYSA-N 427.500 5.581 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccccc1F)C2=O 2325494383 PZLCIXVOJHMIGT-UHFFFAOYSA-N 431.463 5.385 30 10 IKEE O=C(C=Cc1cccc(OCc2ccccc2)c1)C(=O)Nc1cc(Cl)cc(Cl)c1 2325669451 VLDRJBMVPCWUAR-UHFFFAOYSA-N 426.299 5.793 30 10 IKEE O=C(C=Cc1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc(Br)cc1 2325669524 QBIUKUOIBXVTQA-UHFFFAOYSA-N 436.305 5.249 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OCC(=O)Nc3cccc(Cl)c3)c2C)C1=O 2325717449 UCJBDECCSPFYOV-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE COc1cccc(CCC(=O)Oc2cccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1 2325722539 KJUDQRRYHNFPQJ-UHFFFAOYSA-N 431.444 5.038 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2)cc1OC(=O)c1cc(Cl)ccc1Cl 2325731226 KPQORYXOEAYVCZ-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OC(=O)c1c(F)cccc1Cl 2325735573 CDRWGXXTSRSESI-UHFFFAOYSA-N 438.882 6.220 30 10 IKEE COc1ccc(C(=O)Oc2cc(C=CC(=O)c3ccc(C)cc3)ccc2OC)cc1OC 2325737564 LYEPNBXSVNYELA-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(F)cc3)c2)c2ccccc12 2325776189 HMVTUYCBMZIFJV-UHFFFAOYSA-N 440.470 6.032 30 10 IKEE CCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1ccc(O)c(Cl)c1 2326323973 RCCPNCMIUXFBGF-UHFFFAOYSA-N 428.989 5.672 30 10 IKEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(OC(C)(C)C)cc1 2326513695 DKCYKKOVMNVYFK-UHFFFAOYSA-N 449.407 6.245 30 10 IKEE C=CCOc1ccccc1C=Nn1c(COc2c(C)ccc(C)c2C)nnc1SCC 2327268004 BKWPAAHCTVLZNV-UHFFFAOYSA-N 436.581 5.341 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2OC)n1N=Cc1c(F)cccc1Cl 2328689818 UWRLCQXEYHJLDS-UHFFFAOYSA-N 444.963 5.415 30 10 IKEE Cc1cccc(OCc2nnc(SCc3cccc(F)c3)n2N=Cc2ccccn2)c1C 2328833120 COGBTUWTZAJMCI-UHFFFAOYSA-N 447.539 5.183 30 10 IKEE CCCOc1ccc(C=Nn2c(Cc3ccc(Cl)cc3)nnc2SC)cc1OCC 2329065189 PMNGOPWYFMBWDD-UHFFFAOYSA-N 444.988 5.314 30 10 IKEE C=C(C)CSc1nnc(CCc2cccs2)n1N=Cc1ccc(OCCC)cc1 2329661949 IRLHGLZRLXPNEI-UHFFFAOYSA-N 426.611 5.464 30 10 IKEE Cc1ccccc1CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1cccc(Cl)c1 2330057601 OYTOQEJBADPTMV-LJQANCHMSA-N 447.007 6.566 30 10 IKEE CCCOC(=O)CSc1nnc(CC2CCCCC2)n1N=Cc1ccc(C(C)C)cc1 2330309786 DGUQATGEQGBPLU-UHFFFAOYSA-N 442.629 5.452 30 10 IKEE Cc1ccc(O)c(C=Nn2c(Cc3cccs3)nnc2SCc2cc(C)ccc2C)c1 2330393837 WSMRKKONRRTQEH-UHFFFAOYSA-N 448.617 5.736 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(SCc2ccccc2F)nnc1[C@@H]1CCCO1 2330961131 SGRPMNXFHMTVBE-NRFANRHFSA-N 440.544 5.230 30 10 IKEE Fc1cccc(Cl)c1C=Nn1c(SCCc2ccccc2)nnc1[C@H]1CCCO1 2330969968 AMWLWGUTUPEMNH-LJQANCHMSA-N 430.936 5.139 30 10 IKEE Fc1cccc(CSc2nnc(C3CCCC3)n2N=Cc2ccc(Cl)cc2Cl)c1 2331065804 GJIMOWLCZLBTEM-UHFFFAOYSA-N 449.382 6.556 30 10 IKEE Clc1ccc(CSc2nnc(C3CCCC3)n2N=Cc2cccs2)c(Cl)c1 2331093881 BMCCYFNGCJEUTR-UHFFFAOYSA-N 437.421 6.479 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2-c2ccco2)cc1OC 2331166036 HEKBGVMCZQBMEM-UHFFFAOYSA-N 448.548 5.428 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3ccc(C)cc3)cc2)cc1 2331189341 IFAMNVWAHNIKBU-UHFFFAOYSA-N 444.527 6.054 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)c1ccc2c(c1)OCO2 2331236538 CTRKLRUCMYPDSK-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE COc1ccccc1C(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(C)cc2)cc1OC 2331256728 VEQNJZZPPTYMJY-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)CCc1ccccc1C 2331345786 YIGDMCAKLMNPJL-UHFFFAOYSA-N 446.518 6.276 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2cc(C)ccc2OC)cc1Cl 2331358892 AIRMOCLHKBQUQZ-UHFFFAOYSA-N 442.983 7.209 30 10 IKEE CCCN(CCC)C(=O)CSc1nnc(CC(C)C)n1N=Cc1ccc(C(C)C)cc1 2331467568 GAPCDHOSIQUWAY-UHFFFAOYSA-N 443.661 5.223 30 10 IKEE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2)cc1 2331512748 LQUCYPOVHVNOND-LJQANCHMSA-N 432.491 6.218 30 10 IKEE CCC(=O)Oc1c(OC)cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc1OC 2331547733 ODUDNGSGEVPFIM-UHFFFAOYSA-N 426.509 5.221 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1 2331554993 BXEJFEPTWZIZRQ-UHFFFAOYSA-N 428.434 6.162 30 10 IKEE CCCOc1cccc(C=Nn2c(COC)nnc2SCc2cccc3ccccc23)c1 2331594984 XXGSCPSXVRKUHN-UHFFFAOYSA-N 446.576 5.541 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)Cc1ccccc1OC 2331709308 BLGNODFNEZOKGU-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE Cc1ccc(CSc2cc(I)ccc2Br)cc1C#N 2338403663 KFZDAFLHMJSVIP-UHFFFAOYSA-N 444.135 5.526 30 10 IKEE CO[C@@H](C#C[C@@H](O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1)C1CCCC1 2369526531 LXDGCMDVVOSMIW-MOPGFXCFSA-N 438.362 5.038 30 10 IKEE CCSc1cccc(Oc2ccc(Br)c(NC(=O)OC(C)(C)C)c2)c1C#N 2370352920 JCVUEPPPQPPQGY-UHFFFAOYSA-N 449.370 6.572 30 10 IKEE Cc1cc(C)c2nc(/N=C/c3cc(Br)cc(Br)c3O)sc2c1 1922750 UIHVBVXHBCKPQH-FBCYGCLPSA-N 440.160 5.894 30 10 IKEE O=c1oc2ccccc2cc1-c1cccc(/N=C/c2cc(Cc3ccccc3)ccc2O)c1 2056868 YSZSSEYTWCOSKW-NDZAJKAJSA-N 431.491 6.507 30 10 IKEE Cc1cc(C)nc(N/C(=N\C(=S)Nc2ccccc2C)Nc2cnc3ccccc3c2)n1 14159390 CIZPCCNMCKOMIC-UHFFFAOYSA-N 441.564 5.227 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)nn1[C@H]2c1cccc(F)c1 17098974 SJVINZKXQOMLQQ-NRFANRHFSA-N 434.540 5.368 30 10 IKEE COc1ccc(N2C(SC)=N/C(=N\c3ccc(C)cc3)C23CCC(C(C)(C)C)CC3)cc1 20805774 IAYVGQRLOVVUCZ-COOPMVRXSA-N 449.664 7.248 30 10 IKEE COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C)o2)c1 21230108 JMGWEGYQXPAEJJ-QMTYFTJSSA-N 430.504 5.585 30 10 IKEE CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(-c3ccccc3)cc2)cc1 21249800 ZEQXHWJUCUWZNM-AOYPEHQESA-N 449.594 6.655 30 10 IKEE CCCn1cc(CN/C(=N/C(=O)c2ccc(C)c(C)c2)Nc2cc(C)ccc2C)c(C)n1 32972869 CXRYTGPLGRBZKW-UHFFFAOYSA-N 431.584 5.233 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(OCc3cccc(Cl)c3)c(OC)c2)SC1=S 33313573 XNPVROXEFOOPBC-XDHOZWIPSA-N 431.966 5.315 30 10 IKEE Cc1ccc2c(Cl)c(C(=O)c3c(C)c(C#N)c(=O)n(C4CCCCC4)c3O)sc2c1 38618172 RWPOPCOXPJZSGH-UHFFFAOYSA-N 440.952 5.647 30 10 IKEE COc1ccc(/C(CSc2nc3ccccc3o2)=N\Nc2cccc([N+](=O)[O-])c2)cc1 59460557 ZLZUWEZMHZYLOK-QQTULTPQSA-N 434.477 5.353 30 10 IKEE CCCCCCCCCCCCCCC[C@@H](C=O)CCCCCCCCCCCCC 78223972 RUSZAJWTXZAFHC-PMERELPUSA-N 436.809 10.984 30 10 IKEE CCOc1ccc2ccccc2c1/C=C1/N=C(SCc2ccccc2Cl)SC1=O 96505631 OQQGBIOKODNGGG-DEDYPNTBSA-N 439.989 6.796 30 10 IKEE COc1ccc(/C=C\C(=O)c2cccc(-n3cccc3)c2)cc1COc1cccc(Cl)c1 96576943 ABLQFSIARXYYQS-BENRWUELSA-N 443.930 6.614 30 10 IKEE CCOc1cc(/C=C/C(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1OC(F)F 97554361 FJRPWHGQXHDKID-SLZMIMFISA-N 432.492 5.733 30 10 IKEE C/C=C\Oc1ccc(C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)c2nc3ccccc3o2)cc1 98037221 RSYYMMUXQNEIOU-SITAJURFSA-N 437.539 7.461 30 10 IKEE CCCCCCCOc1ccc(NC(=S)NC(=O)c2cccc(O[C@H](C)CC)c2)cc1 100258292 SEHCJFHLIHSGKS-LJQANCHMSA-N 442.625 6.340 30 10 IKEE CC/N=C1\S/C(=C\c2cn(CCOc3ccccc3F)c3ccccc23)C(=O)N1CC 106646278 RMTUHCAVCPTPNJ-SHSCQTOKSA-N 437.540 5.172 30 10 IKEE CCCCCCCCCCCCn1cc(Br)c(I)n1 128644698 NQGGBNNPVOWUOB-UHFFFAOYSA-N 441.195 6.171 30 10 IKEE N#Cc1cc(Br)ccc1NCc1cc(Br)c(Br)o1 132303725 SGZXLESGSLBJCO-UHFFFAOYSA-N 434.913 5.051 30 10 IKEE CCCCCCCCCCCCCCCCCCCCCCNc1ccc([N+](=O)[O-])cn1 149092082 BAHKMVDPGSUEIC-UHFFFAOYSA-N 447.708 9.224 30 10 IKEE CCCN1C(=S)N[C@H](c2ccc(OCc3ccccc3Cl)cc2)C2=C1CCCC2=O 169930196 FMVYSQITQQTGHS-HSZRJFAPSA-N 440.996 5.567 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1cc(C)cc(C)c1 169941203 MYKHDBMPOFMUHX-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccc(O)cc2)cc1C 169960882 UNGMHQAIJZLCSS-DEOSSOPVSA-N 427.500 5.409 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(C(C)C)cc1 170066056 DWHSNAOYLWFOIF-DEOSSOPVSA-N 447.531 5.560 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@@H]1c1ccco1 170092685 KQIYVWXZJOZIKV-OAQYLSRUSA-N 425.843 5.174 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2sccc2C)c1 170106269 HPMYASDEYGJLDA-NRFANRHFSA-N 433.529 5.465 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccc(N(C)C)cc1 170129430 QOCUPDSFJZWDMO-HSZRJFAPSA-N 431.536 5.002 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)c(Cl)cc2OC)[C@H]1c1cccs1 170165562 KFFXECJXZHIHIJ-LJQANCHMSA-N 449.956 5.187 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(OCC(C)C)cc1 170167431 JKFYEBPVJAAGOS-VWLOTQADSA-N 443.543 5.863 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1ccccc1 170222535 UCEWEISFTQPPCC-OAQYLSRUSA-N 439.895 5.090 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccc2)ccc1Cl 170222617 VMMZQNBVIHEYQS-NRFANRHFSA-N 437.854 5.271 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccccc2)cc1 170225886 WOUVBLPWFUWDJY-VWLOTQADSA-N 441.527 5.875 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@@H]2c2ccccc2)cc1 170227250 CYEKUBRHNRLIBN-VWLOTQADSA-N 441.527 5.874 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2OC)[C@@H]1c1ccccc1 170227319 SSAVJPNCFDYXJJ-JOCHJYFZSA-N 449.890 5.140 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@H]1c1ccc(C(C)C)cc1 170245165 ANDZNMHROPIUAK-RUZDIDTESA-N 449.591 6.223 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccc(O)c2)cc1C 170259314 RCQARZAWCYTPSD-XMMPIXPASA-N 443.499 5.272 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 170266045 NFBRVMGDSMLZTN-ZCYQVOJMSA-N 441.527 5.160 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCCC)c2)[C@H]1c1ccc(CC)cc1 170268179 VQBDAHPOFUTYKA-XMMPIXPASA-N 435.564 5.806 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC(C)C)c3)[C@@H]2c2ccco2)c1 170282567 WZUXSIOOOUUIHZ-DEOSSOPVSA-N 445.515 5.714 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccco1 170287031 HXPPOVYNKQNDJJ-JOCHJYFZSA-N 449.934 6.322 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(C)o2)cc1 170303941 MSDSPDHHTFYWFL-WAIKUNEKSA-N 429.472 5.003 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1CCOC(C)C 170313249 DXMXCKIXBJDUJS-OAQYLSRUSA-N 435.545 5.213 30 10 IKEE CCOc1cc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cccc(C)c2)ccc1OC 170336900 BMVVZMUEKGLMHK-QFIPXVFZSA-N 449.528 5.247 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2cc(C)cc(C)c2)cc1 170452640 KTAKBYLWQYQUII-RUZDIDTESA-N 434.580 5.665 30 10 IKEE CCCCCCCCCOc1ccc([C@@H]2NN=C3CCN(C)C[C@H]32)cc1Br 217065799 GTNZMTSSBRPWOG-GCJKJVERSA-N 436.438 5.531 30 10 IKEE Cc1ccccc1N=C1S/C(=C2/C(=O)Nc3ccccc32)C(=O)N1c1ccccc1C 254700550 FOZMYJZSCDZMOL-KILBWOSSSA-N 425.513 5.434 30 10 IKEE C(=Nc1ccccc1-c1ccccc1N=Cc1c[nH]c2ccccc12)c1c[nH]c2ccccc12 254713997 INKPLVJDBHSKHE-UHFFFAOYSA-N 438.534 7.817 30 10 IKEE O=S(=O)(c1ccc(N=Cc2c3ccccc3cc3ccccc23)cc1)N1CCCCC1 257353063 PEAKSWOVQXJHDY-UHFFFAOYSA-N 428.557 5.918 30 10 IKEE CC1(C)OB(CCC[C@H](N)c2cc(Br)cc(Br)c2)OC1(C)C 383819649 HFKAZZYSCPLGPC-AWEZNQCLSA-N 432.993 5.084 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cn(C)c3ccccc23)c1 526514109 BVRKJYAPXVJTTA-SANMLTNESA-N 449.510 5.506 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Cl)cc2)c1 526744986 VYCAMNZYGLNFCP-QHCPKHFHSA-N 447.918 5.912 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1ccc(OC)c(OC(C)C)c1 526802469 ILEJLJUTUXHRLI-QFEZKATASA-N 442.560 5.340 30 10 IKEE C=CCn1c(-c2ncccc2C)nnc1N1CCC[C@H]1c1ccc(Br)s1 567968441 IJCAWWYMXBPXJK-AWEZNQCLSA-N 430.375 5.000 30 10 IKEE COc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)c1cccc(Cl)c1 586257108 CSJMSQGCUUBYPC-UHFFFAOYSA-N 447.343 5.269 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](Nc3ccc(Br)c(C#N)c3)C(C)(C)[C@@H]21 693707111 QPBDJOZDPSLUMB-BPQIPLTHSA-N 434.378 5.157 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@@](C)(C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 699644848 PQVPRXOIGHBCHP-CJFMBICVSA-N 443.588 5.353 30 10 IKEE CCCCCCCCCCOc1ccc(C=Nc2ccc(CCCCCCCC)cc2)cc1 725325559 VTZYYXURALVDRX-UHFFFAOYSA-N 449.723 9.860 30 10 IKEE COc1ccccc1CNN=Cc1ccc(OCc2ccc(Br)cc2)cc1 1084535286 AIPVCGDWIDVAAZ-UHFFFAOYSA-N 425.326 5.160 30 10 IKEE Cc1cccc(N=C2S/C(=C/C(Cl)=C/c3ccccc3)C(=O)N2C2CCCCC2)n1 1772736114 KLFOTPFAZZCSDO-SZGZKPIVSA-N 437.996 6.449 30 10 IKEE N#Cc1cccc(NC(=O)Oc2cccc3c(NC(=O)CC4CCCCC4)cccc23)c1 1858776716 SHLVDPNFSCEULM-UHFFFAOYSA-N 427.504 6.231 30 10 IKEE CC(=O)c1cccc(NC(=O)Oc2cccc3c(NC(=O)c4cccc(C#N)c4)cccc23)c1 1858780293 SZUUMGUUOQTJFH-UHFFFAOYSA-N 449.466 5.777 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccccc2)c1)C(=O)N(Cc1ccccc1)c1ccccc1 1860637277 OGOOSSQHTPYOEB-FMQUCBEESA-N 447.534 6.081 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](C)NC(=O)c1cc(C)n(-c2cccc(Cl)c2)n1 1860936402 NXKQTLLGONMFAZ-LJQANCHMSA-N 447.023 5.209 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc([N+](=O)[O-])cc1 1862383406 JXOYPXWZBHXXNY-ADLMAVQZSA-N 449.290 5.278 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc(Cl)cc2)cc1 1862392489 ZBDWXFCXFOQQPA-QFIPXVFZSA-N 425.956 5.917 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@@H]2c2ccccc2)cc1C 1862400282 AIUIOBNTTJALGU-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2cccc(O)c2)cc1C 1862400312 AXXIEHVSSHERDD-DEOSSOPVSA-N 449.547 5.400 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@@H]1c1ccccc1)c1ccc(F)cc1F 1862412342 BRSOWBRKZGWGQH-HSZRJFAPSA-N 433.454 5.176 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1862445167 PZBAAMYDWBGZNG-JLCFBVMHSA-N 449.890 5.091 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1862477568 ZFUMQFIGBASWDN-XXBNENTESA-N 437.536 5.343 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2cccc(Cl)c2)c1 1862491374 RHMMNAZHSXSVPX-HSZRJFAPSA-N 437.967 6.258 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2cccc(F)c2)ccc1F 1862502330 WVCKUOXAHJRMAA-QMHKHESXSA-N 433.454 5.613 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862583359 ZGLWOYFWZMFAIC-RNODOKPDSA-N 448.346 5.769 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1cccc2ccccc12 1862619715 BBTMROTUBZFAGE-XMMPIXPASA-N 425.528 5.902 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(C(=O)OC)cc1 1862620681 XYEPNWGMVZYKJT-KSFYIVLOSA-N 449.547 5.148 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)OCO3)=C(O)C(=O)N1C1CCCCCCC1 1862626001 RRILTWQLOQXTLE-XMMPIXPASA-N 447.531 5.415 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cccc(C)c1 1862626261 ZHKSLCOTEOQNHL-XMMPIXPASA-N 449.547 5.663 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(O)c(O)c1 1862653476 QDVQIQBEWJOHQC-DEOSSOPVSA-N 445.515 5.410 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862668117 QYSWBEQWVGQSIH-QKKBWIMNSA-N 446.374 6.494 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(O)cc2)cc1 1862674967 YSRKJTKJEDYJLM-VOIUYBSRSA-N 445.490 5.433 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2cccc(F)c2)cc1 1862688604 XLTSTCXCHVPZTL-DEOSSOPVSA-N 445.490 5.045 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CC(C)C)cc1 1862696208 NXBBRBSYYQRULX-QHCPKHFHSA-N 437.536 5.108 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(CC)cc1 1862702291 APHVHQMSVKJZBN-VWLOTQADSA-N 449.591 6.196 30 10 IKEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccc(C)cc2)cc1 1862730914 IGQNZFVJVINMJG-RUZDIDTESA-N 449.591 6.331 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccc(Cl)c2)[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 1862748021 XZZHWGWLCPTACO-NRFANRHFSA-N 448.862 5.027 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1c(F)cccc1Cl 1862756380 NMCLFOLZSOMNAW-LJQANCHMSA-N 446.862 5.156 30 10 IKEE Cc1cc(Cl)ccc1NC1=C(c2ccc(F)cc2)C(=O)N(c2cccc(C#N)c2)C1=O 1862768830 IBFJWWSGAMVJAS-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE CCOc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccccc3Cl)C2=O)cc1 1862837337 IORCOBZKGRXIEF-UHFFFAOYSA-N 443.890 5.007 30 10 IKEE CCOc1ccccc1N1C(=O)C(Nc2ccccc2C#N)=C(c2ccccc2Cl)C1=O 1863068218 BZOVDGFMNUDESU-UHFFFAOYSA-N 443.890 5.007 30 10 IKEE CCCCCN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2cc(Cl)ccc2Cl)C1=O 1863388615 RWGPISQPKCTOLB-UHFFFAOYSA-N 428.319 5.247 30 10 IKEE CCCCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CC)[C@H]1c1cccs1 1864475801 WBCRYIVIGCBKMB-HXUWFJFHSA-N 444.645 5.224 30 10 IKEE Cc1cccc(N(Cc2cccnc2)c2cc(Nc3ccccc3C#N)nc(C(C)C)n2)c1 1868238975 ZCQLJQBZIOSTEH-UHFFFAOYSA-N 434.547 6.257 30 10 IKEE CN1CCN(c2cc(Nc3ccc(C#N)cc3)nc(-c3ccccc3)n2)C[C@@H]1c1ccccc1 1868375997 FORLJWLQCHNPFM-RUZDIDTESA-N 446.558 5.252 30 10 IKEE CC(C)c1cc(C(C)C)cc(-n2nnc(C#N)c2NC(=O)COc2ccc(Cl)cc2)c1 1870152923 SGGYVAHPKKGUOY-UHFFFAOYSA-N 437.931 5.057 30 10 IKEE CCCCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CN1CCC[C@@H](C)C1 1870352666 FQKJXXCLDSBPGP-XMMPIXPASA-N 432.693 6.646 30 10 IKEE C=CCn1cc(OCc2c(C)cc(C)cc2C)c(=O)cc1CN1CCc2ccccc2C1 1870380688 RFHRMKMPKPHRKN-UHFFFAOYSA-N 428.576 5.097 30 10 IKEE CCCCCCCCCCn1cc(OCc2ccccc2)c(=O)cc1CN1CCOCC1 1870470818 KTOJFTZZPSUUMN-UHFFFAOYSA-N 440.628 5.400 30 10 IKEE CCCCCCCCn1cc(OCCCCC)c(=O)cc1CN1CCC2(CC1)OCCO2 1870677444 DXRBGGVPHUHVTM-UHFFFAOYSA-N 448.648 5.117 30 10 IKEE C=CCn1cc(OCc2cccc(Cl)c2)c(=O)cc1CNc1ccc(Cl)cc1C 1870827926 XHFJZVABLQELFE-UHFFFAOYSA-N 429.347 5.841 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1c(F)cccc1Cl)C3=O)CN(CCc1ccccc1)CO2 1871349047 QWXQSHLDVOIMNF-QRVIBDJDSA-N 449.909 5.798 30 10 IKEE CCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871379685 JWLQLWCZNKJSMR-DHLMYGRGSA-N 446.886 5.974 30 10 IKEE Cc1c(OC(=O)/C=C/c2cccs2)ccc2c1O/C(=C\c1ccc(N(C)C)cc1)C2=O 1871380952 LMOCCRLSZQYTJK-OVXMHFCVSA-N 431.513 5.358 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(O)c3CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)C2=O)c1 1871394081 BSUMNRQBGFXUMN-PAHWYTHNSA-N 433.548 5.418 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871406973 KTNFMTQIPCEQAN-SUVVMJBMSA-N 447.918 5.979 30 10 IKEE COc1ccc(OCCCOc2cc(C)c3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 1871415756 RKMYEGWLNFFHAJ-IWIPYMOSSA-N 434.463 5.607 30 10 IKEE CCc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871454021 DXVASASKIMCAMJ-IWIPYMOSSA-N 427.500 5.500 30 10 IKEE CC(C)c1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 1871456049 JZYWNTLDCQLERH-CFRMEGHHSA-N 431.463 5.583 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(NC(C)=O)cc2)[nH]c(N(C)CCCC)n1 1871481690 ODRMHKXTDOMJME-UHFFFAOYSA-N 441.624 5.004 30 10 IKEE C=CCN(CC=C)c1nc(=NCCc2ccc(C)cc2)nc(Nc2ccc(Cl)c(C)c2)[nH]1 1871663657 IPHXEHLSIAFYDA-UHFFFAOYSA-N 449.002 5.140 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccccc1)[C@H](C)CC)S(=O)(=O)c1c(C)cc(C)cc1C 1872149275 BMOFPWDULIBEGE-XXBNENTESA-N 442.625 5.232 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(Cl)c(C)c1)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872296797 VKVOYRQQLKLZGY-QFIPXVFZSA-N 449.016 5.105 30 10 IKEE CCCCCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 1872759317 KGJFWJQYSJOJRM-NRFANRHFSA-N 449.532 6.167 30 10 IKEE CCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1 1872779983 WTYRHMZBQOQYSE-NRFANRHFSA-N 434.561 6.139 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1C 1872787755 QTRRMIMVRVALMX-OAHLLOKOSA-N 441.896 5.487 30 10 IKEE CCCCCCCCCCNc1ncnc2c1ccc(=O)n2-c1ccc(OC)c(OC)c1 1873539164 WQCRIGAJPOCRAY-UHFFFAOYSA-N 438.572 5.351 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(OCCCCCC)cc2)cc2c(N3CCCC3)ncnc21 1873650339 JERVULRPPBQJBJ-UHFFFAOYSA-N 447.583 5.429 30 10 IKEE CCCSc1nnc(CCc2ccc(OCC)c(OC)c2)n1/N=C/c1sccc1C 1874202002 FTVKBHGKAZECNK-HZHRSRAPSA-N 444.626 5.225 30 10 IKEE CSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1c(Cl)cccc1Cl 1874224974 MHXZXEJCDJWMBW-ZMOGYAJESA-N 449.407 5.817 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OC)c(OC)c2)n1/N=C/c1ccc(Cl)cc1 1874237914 WXJNVYOYLCQGRS-ZMOGYAJESA-N 442.972 5.090 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccco1 1874297646 NDRFADZNMIWJHL-DHRITJCHSA-N 436.512 5.381 30 10 IKEE CCCSc1nnc(CCc2ccc(OC)cc2)n1/N=C/c1c(Cl)cccc1Cl 1874307802 QCMLBTWUMCFBAJ-ZVHZXABRSA-N 449.407 5.763 30 10 IKEE Cc1cccc(CSc2nnc(COCc3ccccc3)n2/N=C/c2ccccc2O)c1 1874354119 RWEDZMPWNUBZDJ-CVKSISIWSA-N 444.560 5.183 30 10 IKEE CCc1ccc(/C=N/n2c(COCc3ccccc3)nnc2SCc2ccccc2)cc1 1874355717 XTDRYZRUQZFILA-WPWMEQJKSA-N 442.588 5.732 30 10 IKEE C=CCSc1nnc(-c2ccccc2Cl)n1/N=C/c1cccc(Br)c1 1874367758 MYRYGJIYHVNJQW-CIAFOILYSA-N 433.762 5.521 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2ccc(Cl)cc2)cc1 1874426849 DJWWTVJBFRBBIO-ZVHZXABRSA-N 449.923 5.681 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2F)n1/N=C/c1cccc2ccccc12 1874438617 JZGPTAJXQSTDAY-JVWAILMASA-N 432.568 6.334 30 10 IKEE Clc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2[C@H]2CCCO2)cc1 1874449733 KLBVBRCPKHKSQC-QVGKIPNLSA-N 448.979 6.111 30 10 IKEE CCCSc1nnc(C(F)(F)F)n1/N=C/c1ccc(N(CC)Cc2ccccc2)cc1 1874462549 ZASGCGXYYPYFBV-CVKSISIWSA-N 447.530 5.708 30 10 IKEE Cc1ccc(CSc2nnc(CC(C)C)n2/N=C/c2cccc(Br)c2)cc1 1874486451 SAORFUNDTDJYNX-YDZHTSKRSA-N 443.414 5.722 30 10 IKEE Sc1nnc(C2CCCC2)n1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1874559611 BLERCQABRQTMFU-WGOQTCKBSA-N 428.561 5.839 30 10 IKEE Cc1ccc(COc2cccc(/C=N/n3c(S)nnc3Cc3ccccc3F)c2)cc1 1874561907 QJUWSIYNRZCFPJ-CVKSISIWSA-N 432.524 5.066 30 10 IKEE Cc1ccccc1COc1ccc(/C=N/n2c(S)nnc2Cc2ccccc2F)cc1 1874561951 SWVCTIDPTCHISE-CVKSISIWSA-N 432.524 5.066 30 10 IKEE Cc1ccc(OCc2nnc(S)n2/N=C/c2cccc3ccccc23)c(C(C)(C)C)c1 1874569496 ZWNKTNHADPAVPG-CVKSISIWSA-N 430.577 5.787 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCCc1ccccc1)c1ccc(-c2ccccc2)cc1 1874570168 QMLNMKCGLUCXFV-BMRADRMJSA-N 438.954 7.525 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3cccc(Cl)c3)c2)cc1 1874595778 CUHFYZRHLXFFJB-NTUHNPAUSA-N 436.935 6.613 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1)Nc1ccccc1F 1874602511 QGOVPVIWLPHUPX-LFIBNONCSA-N 425.459 5.893 30 10 IKEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1OCC 1874606541 UBUAKYVDGJTFKX-WEVVVXLNSA-N 437.319 5.620 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OCc1c(F)cccc1Cl 1874614130 GHUDKDCFYRMEQZ-VZUCSPMQSA-N 431.290 6.616 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Cl)c1OCc1cccc(Cl)c1 1874625884 BLCYGKOEDHEQOL-VMPITWQZSA-N 449.280 6.755 30 10 IKEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc1OCC 1874638894 XUDBBCNPZUFJJT-JLHYYAGUSA-N 448.515 5.475 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)cc1OC 1874694176 PNDKKAHRQSRUSP-DHZHZOJOSA-N 447.443 5.036 30 10 IKEE O=C(Cc1ccc(Cl)cc1)Oc1cccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1 1874695298 UAVVRWHSIIIENB-IZZDOVSWSA-N 445.729 6.691 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3cccc(/C=C/C(=O)c4ccc(Cl)cc4)c3)c(C)c2c1 1874700658 FLOXTMRXHGBPHW-NTUHNPAUSA-N 429.903 6.553 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3cccc(/C=C/C(=O)c4ccc(F)c(C)c4)c3)c(C)c2c1 1874703985 RDJAYTISPSTDND-XYOKQWHBSA-N 427.475 6.348 30 10 IKEE O=C(COCc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1 1875080301 IZWVWUXUZXFZBG-DEDYPNTBSA-N 448.518 6.372 30 10 IKEE CSCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1[N+](=O)[O-] 1875095179 CKWPQUQLFUCESG-XYOKQWHBSA-N 435.501 5.693 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)ccc1OC(=O)CCc1ccccc1 1875109247 FCAYHGKYWKILBN-GXDHUFHOSA-N 444.527 5.837 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 1875116828 VBWWKEIPAZGNMM-OMCISZLKSA-N 431.444 5.038 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)c1ccc(F)c(F)c1F 1875128307 VMKJUHQZDYJGGP-DHZHZOJOSA-N 442.389 5.236 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)Cc1ccccc1 1875131857 RHQPOYXKRSNLRN-ACCUITESSA-N 430.500 5.365 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)Cc1ccc(OC)cc1 1875136548 DQXIMQZVDDMYDJ-OQLLNIDSSA-N 430.500 5.447 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc(OC)c1OC(=O)c1ccccc1 1875153544 MBHPTGHRZQXXQA-ACCUITESSA-N 446.474 5.687 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)cc2Cl)c1 1875168820 WAYHXJSFZFPKBX-PKNBQFBNSA-N 448.946 6.698 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2ccc(C)c(C)c2)cc1 1875169947 VMPVGQLWWZLPTL-JLHYYAGUSA-N 428.528 5.973 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)cc3OC)cc2)cc1 1875178770 BIJXRPCNPMKIKL-FRKPEAEDSA-N 432.472 5.218 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(Cl)c2)c(C)c1 1875182435 CZIXCHXHOSEBLZ-ONNFQVAWSA-N 449.890 6.289 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3C)cc2)cc1Cl 1875185383 AKEICHXMDOJDPQ-FMIVXFBMSA-N 441.310 6.426 30 10 IKEE C#CCCCC[C@H](NC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875651797 PQNSADVRZSCAGY-WNJJXGMVSA-N 443.587 5.660 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1(C)C 1880059625 ROWPGDDWFMMSBE-MHECFPHRSA-N 429.561 5.009 30 10 IKEE C=C1CCC(C[C@H](CCCN(Cc2ccccc2)C(=O)OC(C)(C)C)NCCC)CC1 1915249865 GCKMCQBAVZJSIA-VWLOTQADSA-N 428.661 6.709 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)C1(CCC)CCN(C(=O)OC(C)(C)C)CC1 1922068423 IOGQRZPUPITGQB-XMMPIXPASA-N 444.660 5.945 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](NC(=O)OC(C)(C)C)C1CCCCC1 1922121709 YVXYGLHOILCDEI-DNQXCXABSA-N 430.633 5.601 30 10 IKEE C=CCN(C[C@@H](NCCC)c1cc(C)cc(Br)c1F)C(=O)OC(C)(C)C 1926708968 HMNIAWRLFCSNPH-QGZVFWFLSA-N 429.374 5.360 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(C)cc(Br)c1F 1926716360 SVGTVCDJHWVWTG-AEFFLSMTSA-N 429.374 5.407 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@@H](C#N)c1c(Br)cccc1Br 1938364734 IJHBWTLYAFXFRL-AWEZNQCLSA-N 446.183 5.669 30 10 IKEE N#Cc1ccc([C@H](CCC(=O)O)CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1 1951549081 LIQZCDMGDXXCDY-HXUWFJFHSA-N 440.499 5.045 30 10 IKEE C#CCCCCC[C@@H](NC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997467931 BQDLJZCWHKYCST-ZEQKJWHPSA-N 428.617 5.002 30 10 IKEE CC[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(C)cc1 2014644795 IURUTLLDGPYIJC-YADARESESA-N 429.561 5.418 30 10 IKEE Cc1sc(Cl)cc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2036899770 ZOIXDZFYTJIRDQ-OAHLLOKOSA-N 441.778 6.479 30 10 IKEE COc1cc(C=C(C(=O)C(=O)O)c2ccc3ccccc3n2)ccc1OCc1ccccc1 2040458160 VAGTUOOZPXMFLN-UHFFFAOYSA-N 439.467 5.017 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@]1(C#N)CCC(F)(F)C[C@@H]1OCc1ccccc1 2043782135 NGSYCGINVWGJAD-XUZZJYLKSA-N 448.554 6.223 30 10 IKEE C[C@]1(Nc2cc(Br)cc(F)c2C#N)CCCN(C(=O)OCc2ccccc2)C1 2045299967 YIUHRCMCHGJQAV-NRFANRHFSA-N 446.320 5.063 30 10 IKEE Cc1nc(C=CNc2cccc(Cl)c2)c(C#N)c(-c2c(Cl)cccc2Cl)c1C#N 2053528603 NONPPBPANBWXHD-UHFFFAOYSA-N 439.733 6.843 30 10 IKEE Cc1ccc([C@H](C2CCC2)n2nc(C3(C)CC3)c(C#N)c2I)cc1F 2079140303 JLWDWNXEWJAJND-KRWDZBQOSA-N 449.311 5.248 30 10 IKEE CCc1nn([C@@H](c2c(C)cc(C)cc2C)C(C)C)c(I)c1C=NO 2079978472 AXHGZQNPAIFUQY-GOSISDBHSA-N 439.341 5.029 30 10 IKEE CC(C)c1nc(C(=O)C=Cc2ccc(NC(=O)OC(C)(C)C)cc2)c(Br)[nH]1 2143951263 KZVPCEXRZYIGLZ-UHFFFAOYSA-N 434.334 5.539 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1ccc2c(c1)COC2 2156032990 GYHKRZGTHGNVID-IBGZPJMESA-N 429.314 5.486 30 10 IKEE C=CCCCCCC[C@@H](O)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2206895770 XIRXCGVMIJRBRT-WOJBJXKFSA-N 440.422 5.772 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)c1ccc(NC(=O)OC(C)(C)C)cc1 2235717291 JCGDKHDHBQGLKJ-FQEVSTJZSA-N 429.358 5.498 30 10 IKEE C=CC[C@H](C)[C@@H](NCCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237428955 VETKLCTZFRFUJC-PWIZWCRZSA-N 439.438 5.465 30 10 IKEE C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2247803160 BQTWOTIVADCFAV-OAHLLOKOSA-N 445.821 5.142 30 10 IKEE CCCC#C[C@@H](OCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2275975077 POQZINPIDHYNOK-RUZDIDTESA-N 444.527 5.790 30 10 IKEE Cc1cccc(Oc2cc(Br)c(C#N)cc2F)c1I 2277972050 FVZLKNWEZMHODG-UHFFFAOYSA-N 432.030 5.165 30 10 IKEE C=CCCC1([C@H](NCC)c2ccc(Br)c(F)c2)CN(C(=O)OC(C)(C)C)C1 2281039809 GEPASLLLVRUIAZ-GOSISDBHSA-N 441.385 5.442 30 10 IKEE CCCCCCCCCCCCSC(=C(c1ccccc1)[N+](=O)[O-])c1ccccc1 2295945920 WJWGSVIRUJTEEB-UHFFFAOYSA-N 425.638 8.443 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)CCCCCNC(=O)OC(C)(C)C 2296281270 JRZSNBMPTBHOFH-FQEVSTJZSA-N 437.422 5.254 30 10 IKEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(Br)cc2)cc1 2297745555 NXUKRGQBLOKKPD-OAQYLSRUSA-N 448.316 5.384 30 10 IKEE C=CCOc1ccc(C=C2SC(=Nc3nnc(C)s3)N(c3ccccc3)C2=O)cc1 2314548331 SUBAOJJBPKJFKA-UHFFFAOYSA-N 434.546 5.220 30 10 IKEE CCCCCOc1ccc(C=Nn2c(C)nnc2SCc2ccc(C)cc2)cc1OC 2318574430 KOFZWXKUEARBKK-UHFFFAOYSA-N 438.597 5.647 30 10 IKEE COc1cc(C=Nn2c(S)nnc2C2CCCC2)ccc1OCc1ccc(Cl)cc1 2321927972 AVYUIGPVLLISIP-UHFFFAOYSA-N 442.972 5.348 30 10 IKEE Sc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccc(Cl)cc1Cl 2322238495 DMQRJGXOLXRCDJ-UHFFFAOYSA-N 441.771 5.421 30 10 IKEE O=C(C=Cc1ccccc1OCc1cccc2ccccc12)c1ccc(Br)cc1 2322416511 RNKCLQASVALTDR-UHFFFAOYSA-N 443.340 7.077 30 10 IKEE O=C(COc1ccc(Br)cc1C=CC(=O)c1ccccc1)Nc1ccccc1 2322545476 ADORFNRXJDEDGF-UHFFFAOYSA-N 436.305 5.363 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)CCCOc4ccccc4C)ccc3C2=O)cc1 2323172430 CGGNZRFRKVRBFK-UHFFFAOYSA-N 442.511 5.938 30 10 IKEE O=C(C=Cc1cccc([N+](=O)[O-])c1)Oc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O 2323433371 DKBVOLKSLUAYAK-UHFFFAOYSA-N 439.423 5.386 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OCc1c(Cl)cccc1Cl 2323985573 DALNEPKSEGSTMO-UHFFFAOYSA-N 445.317 6.925 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1cccc(C)c1 2324073797 QAWNMIHEJKHCGO-UHFFFAOYSA-N 428.572 7.166 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OCc1cccc(F)c1 2324140990 VEXLAPXDZTWNIO-UHFFFAOYSA-N 426.487 6.853 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc(Cl)c1OCCCO 2324515671 JTDLJLBKDPYAOS-UHFFFAOYSA-N 439.335 5.366 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)ccc1OCc1ccc(C)cc1 2324545127 JWTLBURGWMYDHC-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE N#C[C@@H](C(=O)C=Cc1ccc(Cl)cc1Cl)c1nc(-c2ccc(Cl)s2)cs1 2324817242 DFPCAPGGEGNXIE-LBPRGKRZSA-N 439.776 6.721 30 10 IKEE Cc1c(OCCC(=O)Nc2ccccc2)ccc2c1OC(=Cc1cccc(Cl)c1)C2=O 2325485936 ROGZSSOIKIXLOR-UHFFFAOYSA-N 433.891 5.672 30 10 IKEE C=CCN(Cc1ccccc1)[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 2325504960 KXLRKOYOODAUDC-SANMLTNESA-N 442.600 5.232 30 10 IKEE CCc1cccc(CC)c1NC(=O)COc1ccc2c(c1)OC(=Cc1cccs1)C2=O 2325718535 WGUXEGSQQJYHTF-UHFFFAOYSA-N 433.529 5.507 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2cc(C=CC(=O)c3ccc(C)cc3C)ccc2OC)c1 2325735168 AUOBXHYJHBFUFT-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1OC(=O)CSc1ccccc1 2325753363 WYELEYXRZBQHOQ-UHFFFAOYSA-N 440.467 5.567 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2cccc(OC(=O)Cc3ccccc3Cl)c2)c1C 2325756710 KYJZDWNGYRZPNW-UHFFFAOYSA-N 432.947 6.618 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC)c(OC(=O)CCCSC)c2)cc1C 2325770712 OYZHVDCKFAQCQG-UHFFFAOYSA-N 428.550 5.265 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cccc(OCC(C)C)c1 2326358276 JKJARZUBKNKCFQ-UHFFFAOYSA-N 443.016 6.093 30 10 IKEE CCOc1c(Cl)cc(C=Nn2c(C)nnc2SCc2cccc(C)c2)cc1OC 2326377457 UYCWZEZYMCOKRG-UHFFFAOYSA-N 430.961 5.130 30 10 IKEE C=CCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1cc(Cl)ccc1O 2326606314 LTXVCYPMMGJIBJ-UHFFFAOYSA-N 448.979 5.736 30 10 IKEE CSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccc(C(F)(F)F)cc1 2327506880 VLXHCFSLPHXSIN-UHFFFAOYSA-N 426.851 5.133 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2Cl)n1N=Cc1cccc(Cl)c1 2327649301 TWRPGSKIWRUIER-UHFFFAOYSA-N 433.364 5.714 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2ccccc2)cc1C 2329430367 UWRBSIJAWHQRPJ-UHFFFAOYSA-N 426.589 5.703 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc[nH]1 2329790965 VLYXNGXARSHWGV-UHFFFAOYSA-N 443.910 5.303 30 10 IKEE Cc1cccc(C=Nn2c(SCc3cccc(F)c3)nnc2[C@H](C)c2ccccc2)c1 2330078393 XOWAHOFCFPNRIR-LJQANCHMSA-N 430.552 6.052 30 10 IKEE COc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC(=O)C(C)C 2330597025 SGWCCGKKQPHABC-UHFFFAOYSA-N 430.500 5.828 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2ccc(F)cc2)cc1 2330648010 YZTZJQAYCQQBJH-UHFFFAOYSA-N 445.523 5.006 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2ccc[nH]2)cc1Cl 2330692656 BAVFMAPSXPUPPV-UHFFFAOYSA-N 428.348 5.755 30 10 IKEE CCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c(OC)c2)cc1Br 2330718866 AKVRABGCLANUDS-UHFFFAOYSA-N 433.298 5.068 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(N(C)C)cc3)c(Cl)c2)cc1C 2330862814 PNHLGJIKJWKRSM-UHFFFAOYSA-N 449.934 5.838 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CC(C)(C)C)cc2)cc1OCCC 2331109277 ZWIWAPFKNDJPDC-UHFFFAOYSA-N 438.564 6.502 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OCC)cc2)cc(OC)c1OC(=O)c1cccnc1 2331210579 TYNGXJSUHJIKFY-UHFFFAOYSA-N 443.499 5.333 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(OC(C)=O)cc2)cc1 2331351858 HMPZTAZPUHKTDQ-UHFFFAOYSA-N 430.456 5.044 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C(C)(C)C)cc1 2331403012 QSWLSPVDVJDGTM-UHFFFAOYSA-N 442.632 7.027 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H](C)c3ccccc3)c([N+](=O)[O-])c2)cc1F 2331459155 SPDXJZBCFJQNDM-MRXNPFEDSA-N 449.434 5.348 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2C2CCC2)cc1 2331523547 GNQJFRAHULOVDB-UHFFFAOYSA-N 447.652 6.183 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1cccc(Cl)c1 2331571359 YDPBSWVPUPKQRQ-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3)c(Cl)c2)c(OC)c1 2331717611 RHBBQWMQHNEHGO-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE COc1cccc(C=NNc2oc(-c3cccs3)nc2C#N)c1OCc1ccccc1 2331938299 ZKACCGSBIVZUFA-UHFFFAOYSA-N 430.489 5.308 30 10 IKEE C=CCOc1ccccc1C=C1C(=O)N(c2ccc(Cl)cc2)N=C1c1ccc(OC)cc1 2332114253 IXCCDKQSWUFHLC-UHFFFAOYSA-N 444.918 5.748 30 10 IKEE CCN[C@H](C#CC1(SC)CC1)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2336248027 JSTNOTDBLOSWRQ-QGZVFWFLSA-N 439.419 5.346 30 10 IKEE C=CC[C@](C)(NCc1ccc(I)c(Br)c1)C(F)(F)F 2349850882 CENZGILEODWRRO-LBPRGKRZSA-N 448.064 5.040 30 10 IKEE C=CC[C@H](CN[C@@H](C)CC)Cc1ccc(I)c(Br)c1 2349918006 SZCGCWJTNLLXOR-JSGCOSHPSA-N 436.175 5.177 30 10 IKEE CC(C)(C#N)c1ccnc(Oc2cc(Br)cc(I)c2)c1 2364001445 IXEXTPFZUJMOOZ-UHFFFAOYSA-N 443.082 5.042 30 10 IKEE COc1ccc(/C=N/c2nc3ccccc3n2Cc2ccc(C(C)(C)C)cc2)cc1OC 1957004 ZNMHLWFKGIKJBA-OGLMXYFKSA-N 427.548 6.150 30 10 IKEE CC(=O)c1ccc(/N=C2\SCCCN2C(=O)COc2ccccc2-c2ccccc2)cc1 9492049 GHSIRDQWFPJRKC-RQZHXJHFSA-N 444.556 5.588 30 10 IKEE COc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cc(F)ccc1F 20883600 GWKGQVCTOONWKY-PVPMGCCUSA-N 432.470 5.953 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(OC)c2)cc1 21227358 IISRXMXKAWZAPB-WTYVLRPYSA-N 440.543 6.073 30 10 IKEE N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(C2SCCCS2)c1 26069133 IPWULDGQUUZWIW-UHFFFAOYSA-N 448.638 6.830 30 10 IKEE CCc1ccccc1N/C(=N\C(=O)c1ccc(C)c(C)c1)NCc1c(C)nn(CC)c1C 32971770 MEWVOPPHLUNDNK-UHFFFAOYSA-N 431.584 5.097 30 10 IKEE COc1ccc(COc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2Cl)C3=O)cc1 33514136 SAEAZQYYLMZGHO-NHDPSOOVSA-N 427.283 6.197 30 10 IKEE CCOc1ccc2oc(C)c(C(=O)Oc3ccc(/C=C\C(=O)c4ccccc4)cc3)c2c1 34954048 HYKIWEXHNGXGEY-PTNGSMBKSA-N 426.468 6.255 30 10 IKEE CCCCCOc1ccccc1CN1C(=O)/C(=N\O)c2cc(Br)cc(C)c21 39854008 WYONEOFWSHZDOF-NMWGTECJSA-N 431.330 5.052 30 10 IKEE COC(=O)c1ccc(/C=C2\S/C(=N/c3nc(C)cs3)N(C3CCCCC3)C2=O)cc1 39865606 DYHFBWMRYQDLFS-FRYIGISESA-N 441.578 5.175 30 10 IKEE O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1ccccc1)c1c([nH]n(-c3ccccc3)c1=O)N2 98036958 HACHTJIALLNKIG-VGOFRKELSA-N 439.540 5.185 30 10 IKEE CCCN1C(=S)N[C@@H](c2ccc(OCc3ccccc3)c(Cl)c2)C2=C1CCCC2=O 169930156 DZNVOMBREBANJY-QHCPKHFHSA-N 440.996 5.567 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(OCc3ccccc3C)cc2)NC(=S)N1C 169935322 QJSNJIPUGKAOAS-VWLOTQADSA-N 442.584 5.592 30 10 IKEE CC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccccc1OCc1ccc(Cl)c(Cl)c1 169936861 TUXHMQCJCMRVPF-HXUWFJFHSA-N 435.376 5.296 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(OCc3ccccc3F)cc2)NC(=S)N1 169937967 VEBDECXRQJHDKM-QHCPKHFHSA-N 432.520 5.080 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2OC)cc1 169944597 GVDNHZHPGFJHIA-XMMPIXPASA-N 427.500 5.349 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2cccs2)ccc1F 169985430 CNAGBCLLGIHTDM-LJQANCHMSA-N 427.884 5.632 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 170062976 IWXMUNJNHZIRGL-HSZRJFAPSA-N 435.882 5.581 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C2CCCCC2)cc1 170114854 OKHVDVTYLZFHHW-RUZDIDTESA-N 441.527 5.759 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccs2)cc1C(C)C 170159186 SSHKCLVMBUSHAK-QFIPXVFZSA-N 433.529 5.663 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1cccs1 170159315 ZQHUXBGMYPVYNR-JOCHJYFZSA-N 431.557 6.137 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)cc1C(C)C 170159579 VPGFMEURNHPLTM-QHCPKHFHSA-N 447.556 5.971 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1cccnc1)c1ccc(Cl)c(Cl)c1 170184894 APFGLPCMZOTIGG-LJQANCHMSA-N 443.261 5.310 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccnc2)cc1C 170191272 SSEQOWUJKQFBLU-XMMPIXPASA-N 442.515 5.270 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1ccc(OCC)cc1 170214074 CIJYHOCRIICDSP-QHCPKHFHSA-N 435.564 5.680 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1ccccc1)c1ccc2c(c1)CCCC2 170224573 UMTYPZDRJNGCTI-XMMPIXPASA-N 425.484 5.054 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccc(Cl)c(Cl)c1 170246668 KOTDVEQDTYAPEH-YUNKPMOVSA-N 446.330 5.305 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccco2)cc1 170293289 HOOQPFOOVQYIGJ-QHCPKHFHSA-N 437.536 5.760 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)c(OC)cc3C)[C@H]2c2ccc(C)o2)cc1 170300883 HISWGFQFCIDJRQ-XMMPIXPASA-N 445.515 5.559 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)(C)C)c2)[C@H]1c1sccc1C 170318885 FUQOSTUDOWRVIC-FQEVSTJZSA-N 441.593 5.741 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1cccc2ccccc12)c1ccco1 170370322 GLLHOYHAXHRANB-JOCHJYFZSA-N 429.859 5.869 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)ccc2C)ccc1OC 170440276 IEUWWTYHCUQGPF-HSZRJFAPSA-N 447.487 5.087 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(N(C)C)cc2)cc1 170452102 OZUCYUKPMIBZTA-HSZRJFAPSA-N 449.595 5.114 30 10 IKEE COc1cccc(/C=C\C(=O)c2c(O)nc3ccccc3c2-c2ccc(Cl)cc2)c1OC 222335612 WFNWXDFWRFIQJO-QINSGFPZSA-N 445.902 6.174 30 10 IKEE CCCCCCCCNC(=O)c1cc(Br)ccc1I 232977074 IZBKEQBGUVKRDL-UHFFFAOYSA-N 438.147 5.144 30 10 IKEE CCOC(=O)c1cc(CC(C)C)sc1N=Cc1c(O)ccc2oc3c(c12)CCCC3 252622194 NQNZIIHCSWWMBK-UHFFFAOYSA-N 425.550 6.205 30 10 IKEE CCc1ccc(N=C2S/C(=C/c3sccc3C)C(=O)N2c2ccc(CC)cc2)cc1 252623232 OMVXEYJMJIXGKS-MPVWDOOLSA-N 432.614 6.990 30 10 IKEE CC1(C)OB(c2cccc(OCCN(Cc3ccccc3)Cc3ccccc3)c2)OC1(C)C 390816363 LNAFBGXLOLWDCQ-UHFFFAOYSA-N 443.396 5.067 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)ccc1F 407854570 GWVZOAMUJLTHLL-QZTJIDSGSA-N 429.374 5.488 30 10 IKEE COc1cc([C@H]2C(c3cccc4ccccc34)=C(O)C(=O)N2c2ccc(C#N)cc2)ccc1O 526492403 WZCWBBRFCHRMKO-SANMLTNESA-N 448.478 5.483 30 10 IKEE CC(C)COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccc(O)c2)cc1 526515598 IQKYYRCWIQORMZ-RUZDIDTESA-N 440.499 5.356 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(F)cc2)cc1OC 526604276 GLCKCAYZGJBNKU-XMMPIXPASA-N 444.462 5.162 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1c(C)n(C)c2ccccc12 526816354 DLCJIDSNERVTPV-QFEZKATASA-N 438.000 5.859 30 10 IKEE CCCOc1ccc(/C=N\n2c(CCC)nnc2SCc2c(F)cccc2Cl)cc1 526817420 LZASKGZWNTUPFQ-QFEZKATASA-N 446.979 5.986 30 10 IKEE COc1cc([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)cc(Br)c1O 698371281 NORWKXOTDMDNHD-INIZCTEOSA-N 439.350 5.298 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCCc2sccc21 698458578 TZQDQDZEVWCWCH-FQEVSTJZSA-N 433.371 6.007 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 698481836 ABLXAZYAARKLTE-KOSHJBKYSA-N 429.561 5.418 30 10 IKEE C=C1CCC(C[C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)CC1 724570000 NIRAQBFHXZULLL-IEZKXTBUSA-N 444.660 5.990 30 10 IKEE Cc1ccc2c(c1)C(=O)/C(=C/c1cn(-c3ccc(Cl)cc3)nc1-c1ccc(F)cc1)CO2 725328398 HARASXMBQODHBK-CPNJWEJPSA-N 444.893 6.299 30 10 IKEE CN1C(=O)C[C@@H](C(=O)Nc2cccc(Cl)c2)SC1=Nc1cc(Cl)cc(Cl)c1 1084130588 LDZWVSNWQILZJU-HNNXBMFYSA-N 442.755 5.237 30 10 IKEE Cc1ccc(N=Cc2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)cc1 1084641990 IAYIEHOUNBKVNE-UHFFFAOYSA-N 446.981 8.524 30 10 IKEE CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)O[C@@H](C#N)c1cccc(/C=C/c2ccccc2)c1 1614381240 ZBZHTGMFIGHSJW-DFPHFFOTSA-N 426.343 6.556 30 10 IKEE Cc1cc2c(n1-c1ccc(Cl)cc1)CC(C)(C)CC2=NOC(=O)c1cccc(Cl)c1 1772728335 IDEOYZBTBRGLGX-UHFFFAOYSA-N 441.358 6.626 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=Nc1cccnc1 1772731219 KCHUZBYDWFQPIY-MBTIHVDPSA-N 449.963 5.938 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=Nc1cccnc1 1772732356 WFDKSJKKGDRRQQ-XRRPQMRDSA-N 444.343 6.272 30 10 IKEE O=C1NC(=NN=Cc2ccc(-c3ccccc3)o2)S[C@H]1Cc1cc(Cl)ccc1Cl 1772741750 AVUUCYJPVMXKBY-IBGZPJMESA-N 444.343 5.418 30 10 IKEE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1C(=NNc1ccccc1)CCC2 1772751219 XLLGOBHWIRTAFA-UHFFFAOYSA-N 428.319 6.300 30 10 IKEE Cc1cc(C)cc(NC(=S)N/N=C\c2cn(-c3cccc(F)c3)nc2-c2ccccc2)c1 1857808999 OVXQAECWYLTVHX-DICXZTSXSA-N 443.551 5.616 30 10 IKEE CCOc1ccc(NC(=S)N/N=C\c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 1857811063 JNRPMVYLPIHBFR-ONUIUJJFSA-N 441.560 5.259 30 10 IKEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)Cc1cc(Cl)ccc1SC 1860973242 RNXMOCISCVWFDR-UHFFFAOYSA-N 441.081 5.756 30 10 IKEE CCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(OCCCC)c(OCC)c1 1861748324 DRLGGJBLUDXOJG-QFIPXVFZSA-N 446.632 5.346 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(OC)c(C)c2)n(Cc2cccc(Cl)c2)n1 1862335751 IBKYBCLINRFFDI-UHFFFAOYSA-N 435.955 5.383 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc(Cl)cc2)cc1 1862392488 ZBDWXFCXFOQQPA-JOCHJYFZSA-N 425.956 5.917 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc2cc[nH]c2c1)c1ccccc1Cl 1862432822 NRSHJTYXGUMIIH-NRFANRHFSA-N 432.863 5.193 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 1862448495 OMUQZNZHIQMYBB-OAQYLSRUSA-N 448.862 5.027 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(C)cc2)cc1 1862475155 FKHVZRFEHIDSKV-RXFWQSSRSA-N 439.555 6.205 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@@H]2c2ccc(O)cc2)c1 1862489910 KAXGJHALDMYBFG-HSZRJFAPSA-N 447.918 5.441 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C2CC2)cc1 1862550199 FIXQPIGJGXVXJA-XMMPIXPASA-N 431.532 5.095 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc2ccccc12 1862584644 DINXIWCSEMICAI-NRFANRHFSA-N 438.310 5.911 30 10 IKEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccccc1C 1862612821 AUJIRGARFLDOJK-XMMPIXPASA-N 448.607 5.213 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCC(C)C)c1 1862652348 HFIGOIWHVLJOFV-DEOSSOPVSA-N 429.516 5.473 30 10 IKEE CN(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862678016 JFURXUJQKWQNGV-DEOSSOPVSA-N 448.538 5.361 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2Cl)cc1 1862689108 IRWWQBJNOYEHHH-JOCHJYFZSA-N 433.891 5.127 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cccc2ccccc12)c1ccc2ccccc2c1 1862718979 GQSMUXXMAQMHMG-MHZLTWQESA-N 447.534 6.514 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 1862724755 SKGXCZAFDJAYHQ-VWLOTQADSA-N 443.518 6.117 30 10 IKEE CCOc1ccc(C2=C(Nc3ccccc3Cl)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862834240 CTXHAADIETZMEE-UHFFFAOYSA-N 443.890 5.007 30 10 IKEE CC(C)(C)c1ccc(NC2=C(c3ccccc3F)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862925752 DSYHUKFTCANFLY-UHFFFAOYSA-N 439.490 5.391 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(Nc2ccccc2C#N)=C(c2ccccc2Cl)C1=O 1863068047 JBOGMHWVVJQFCK-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE CCCCCCCCN1C(=O)C(NCCC(C)C)=C(c2ccc(Br)cc2)C1=O 1863559149 IJINMBZPKCWFKS-UHFFFAOYSA-N 449.433 5.525 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCC(C)C)=C(c2cc(C)ccc2C)C1=O 1863739927 DORBFQRYRVXYDO-UHFFFAOYSA-N 426.645 6.160 30 10 IKEE CCC[C@H](NC(=O)C[C@@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccccc1C#N 1866738658 GHBQNWGFYOYPDH-NOZRDPDXSA-N 433.596 5.735 30 10 IKEE CC(C)N1CCN(c2cc(Nc3ccccc3C#N)nc(-c3cccnc3)n2)c2ccccc21 1868572503 BVSNNDJHAFQPLQ-UHFFFAOYSA-N 447.546 5.520 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCCC)c(=O)cc1CN1C[C@@H](C)C[C@H](C)C1 1870331148 YNNHZFJRPLQHNH-VXKWHMMOSA-N 448.648 5.019 30 10 IKEE C=CCOc1cn(CCCCN2CCCC2)c(CN(CCCC)CCCCCC)cc1=O 1870386741 BPOLNLSAKXGNGT-UHFFFAOYSA-N 445.692 5.472 30 10 IKEE C=CCn1cc(OCc2c(Cl)cccc2Cl)c(=O)cc1CN1C[C@H](C)C[C@@H](C)C1 1870602171 QMPYSGQGLZCKFO-IAGOWNOFSA-N 435.395 5.398 30 10 IKEE CCCCCCCOc1cn(CCCOC)c(CNc2cccc(C(C)(C)C)c2)cc1=O 1870830253 JVMLIUOINOULOK-UHFFFAOYSA-N 442.644 6.144 30 10 IKEE CCCCCCCOc1cn(CCC)c(CNc2ccc(CC)c([N+](=O)[O-])c2)cc1=O 1870832117 QBBVNDTXEXXJAU-UHFFFAOYSA-N 429.561 5.690 30 10 IKEE CCCCCCCOc1cn(CCCCC)c(CNc2cccc(N(C)C)c2)cc1=O 1870837489 JDMOHEWBWJAZLH-UHFFFAOYSA-N 427.633 6.066 30 10 IKEE C=CCn1cc(OCCc2ccccc2)c(=O)cc1CNc1cc(Cl)cc(Cl)c1 1871141541 ZECWUJJZSWCHJC-UHFFFAOYSA-N 429.347 5.575 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)cc2Cl)c(=O)cc1CNc1ccc(Cl)cc1 1871248799 CIZNZYLSALTTSK-UHFFFAOYSA-N 449.765 6.186 30 10 IKEE CCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CNc1cccc(N(C)C)c1 1871258721 YFEQNGHRVYGBMB-UHFFFAOYSA-N 441.660 6.312 30 10 IKEE CCCCOCCCN1COc2ccc3c(c2C1)O/C(=C\c1cn(C)c2ccccc12)C3=O 1871350346 AYXYLVCAVHPTGH-MYYYXRDXSA-N 446.547 5.153 30 10 IKEE COc1ccc([C@H](C)N2COc3c(cc4c(c3C)O/C(=C\c3ccccc3)C4=O)C2)cc1 1871359316 JYRNRFRXEDBHQH-DNNAEVNTSA-N 427.500 5.533 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)CC1 1871382687 BMDDQQIFJHKVAC-ONUIUJJFSA-N 447.575 6.271 30 10 IKEE Cc1cc(OC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc2c1C(=O)/C(=C/c1ccco1)O2 1871385008 VJLIMEYEVWXVTL-NDENLUEZSA-N 438.863 5.621 30 10 IKEE Cc1cc(O)c(CN2CCC[C@@H](C)C2)c2c1C(=O)/C(=C/c1ccc(Br)cc1)O2 1871396380 CMVKWTVGFDPACA-LPKQHDGYSA-N 442.353 5.311 30 10 IKEE C[C@@H](Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O)C(=O)Nc1ccccc1Cl 1871403908 COLQAZFHIOWGJP-ILPJRLHASA-N 445.902 5.918 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(C)cc1)C2=O 1871429553 RVRMLJHOPJARAJ-RRDPUDRWSA-N 436.548 6.201 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccc(C)cc4Cl)c3C)C2=O)cc1 1871435894 FZZADVSKNWDKEG-QRVIBDJDSA-N 447.918 5.899 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc(OC)c4)cc(C)c3C2=O)cc1 1871441361 AQRGONYAGUZRGD-CFRMEGHHSA-N 443.499 5.200 30 10 IKEE CC(C)=C1Oc2c(ccc(O[C@@H](C)C(=O)Nc3nc(-c4ccccc4)cs3)c2C)C1=O 1871443714 DFSRGDLKLRPSNB-HNNXBMFYSA-N 434.517 5.394 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cccc(Cl)c1)[C@H](C)CC)S(=O)(=O)c1cccs1 1872249274 WTLOMCRDYJMMGS-BEFAXECRSA-N 441.018 5.022 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccccc1 1872529427 GMTJJUYMBNDHMN-HSZRJFAPSA-N 428.598 5.068 30 10 IKEE COc1ccccc1-c1csc([C@@H](C#N)C(=O)COc2cc(Cl)ccc2Cl)n1 1872763622 QLPFLLXZICPWPY-AWEZNQCLSA-N 433.316 5.381 30 10 IKEE N#C[C@@H](C(=O)COc1cc(Cl)ccc1Cl)c1nc(-c2cccc(Cl)c2)cs1 1872767277 WHLKUTNAJUYIOX-AWEZNQCLSA-N 437.735 6.026 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)C(Cl)(Cl)Cl)n1 1872776969 CHYDIZHPKIBUGV-GFCCVEGCSA-N 431.772 5.663 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@H](C#N)C(=O)c2cccc(OC(C)=O)c2)n1 1872783877 KAWGDNSYMPVAIE-QGZVFWFLSA-N 440.908 5.196 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)n1 1872784986 BUHXIBIEZYCZBC-QFBILLFUSA-N 437.609 5.239 30 10 IKEE N#C[C@H](C(=O)C12CC3CC(CC(C3)C1)C2)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872787242 FEWTVAHJOXQHAA-DNTLAJCMSA-N 431.388 6.510 30 10 IKEE CCCCCCCCN1C(=O)C(NCC(C)C)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873086421 IWDHDSVELNXNCZ-UHFFFAOYSA-N 432.608 6.040 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc([N+](=O)[O-])cc2)=C(c2ccc(C)cc2)C1=O 1873367571 GCMSMIQHBLHCBO-UHFFFAOYSA-N 435.524 5.456 30 10 IKEE CCCCOCCCN1CC(=O)C(c2nc(-c3ccccc3)c(-c3ccccc3)s2)=C1N 1873528182 KJMFETROVYBVQT-UHFFFAOYSA-N 447.604 5.196 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)c(C)c2)cc2c(NCc3ccc(C)cc3)ncnc21 1873641699 HMMHONJVLFTKIV-UHFFFAOYSA-N 445.954 5.752 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1cccc(C(C)(C)C)c1)n2CC(C)C 1873656673 GWJFRZUHQBPRFW-UHFFFAOYSA-N 445.611 5.816 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCCC)n1/N=C/c1ccc(CC)cc1 1874228929 LGERRVAVQBSRHM-KOEQRZSOSA-N 436.581 5.369 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2F)cc1C 1874320849 NGQMMYKENDWFCY-JFLMPSFJSA-N 446.551 5.788 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2cccs2)n1/N=C/c1ccccc1C(=O)O 1874410597 BVGFPGHHRPWDHL-ZVHZXABRSA-N 448.573 5.112 30 10 IKEE COc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCc2cc(C)ccc2C)cc1 1874413344 OUBOPAUSELCMFX-MFKUBSTISA-N 448.617 5.730 30 10 IKEE CCN(Cc1ccccc1)c1ccc(/C=N/n2c(Cc3ccccc3)nnc2SC)cc1 1874414649 CJVGDKVFMXQRNW-ZXVVBBHZSA-N 441.604 5.500 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3cccc(C)c3)nnc2-c2ccccc2)c1 1874426489 KYBKZJSDVMKLOL-YZSQISJMSA-N 428.561 5.827 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C2CCCC2)cc1O 1874459129 XYCSCUZYQQJERV-BHGWPJFGSA-N 446.935 5.314 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C(F)(F)F)cc1 1874461338 IYAOWNPEADWXRI-BHGWPJFGSA-N 440.878 5.524 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(F)(F)F)n2/N=C/c2c[nH]c3ccccc23)c1 1874461533 RUBXCXPPVCAWNU-KBKYJPHKSA-N 429.471 5.570 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C(C)(C)C)cc1 1874486092 AIVHQTZPVHGGAG-DHRITJCHSA-N 446.979 5.941 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc(C(=O)O)cc1 1874491281 JDDBYIOTLGYIBS-FSJBWODESA-N 428.945 5.003 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874504370 OSSAJJDOHVKMPO-MFKUBSTISA-N 438.597 5.509 30 10 IKEE COc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C2CC2)cc1OC 1874523101 VYNDVBLEOYECFY-BHGWPJFGSA-N 446.935 5.140 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(C)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1 1874530979 LCZHWPGYRGKISA-HZHRSRAPSA-N 439.541 5.238 30 10 IKEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874535149 ANXSKTFSVLWUJV-WYMPLXKRSA-N 433.408 6.365 30 10 IKEE Clc1ccccc1COc1ccc(/C=N/n2cnnc2SCCc2ccccc2)cc1 1874539235 URCSJLUNWPJOBR-JVWAILMASA-N 448.979 5.728 30 10 IKEE Cc1ccc(Cc2nnc(S)n2/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 1874561511 VCVZLJZNBZRVKG-CVKSISIWSA-N 436.625 5.649 30 10 IKEE CCOc1c(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc(Br)cc1OC 1874588796 FKYPWENDBRCEON-VOTSOKGWSA-N 439.733 5.723 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1OCC(=O)OCC(C)C 1874591418 JCNPYZQIOLFOAS-JXMROGBWSA-N 437.319 5.476 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OCC(=O)NC1CCCCC1 1874595416 KBCNDLAJNVZYFQ-ZRDIBKRKSA-N 427.928 5.072 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1Cl 1874602505 PWHSGIPOHAXVQP-ZRDIBKRKSA-N 437.879 6.122 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OCC(=O)Nc1c(C)cccc1C 1874608223 BVBSYXKUFIBHLI-ACCUITESSA-N 449.934 5.879 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2)c(Br)c1)c1ccc([N+](=O)[O-])cc1 1874610947 UIAAFZRMFQADID-WUXMJOGZSA-N 438.277 5.832 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)c1ccc2c(c1)OCCO2 1874620596 JFGHRTATENJNEH-FPYGCLRLSA-N 441.310 6.240 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1cccc(Cl)c1 1874622494 GGWNDQDSSOVLPO-RIYZIHGNSA-N 434.963 7.121 30 10 IKEE CCCOc1ccc(/C=C/C(=O)c2ccc(OCC)cc2OCC)cc1Br 1874632112 LYAAUEFLSCJSKN-YRNVUSSQSA-N 433.342 5.931 30 10 IKEE C=C(C)COc1c(Cl)cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc1OCC 1874638558 GIBJGFXVSGSJDU-ZRDIBKRKSA-N 436.935 6.752 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1OC(=O)c1ccccc1Cl 1874692461 ICPJUKWGKUPVDE-GXDHUFHOSA-N 442.898 6.617 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1cccc(/C=C/C(=O)c2ccc(CC)cc2)c1 1874694750 SCKDDRUNAJVFTF-SAPNQHFASA-N 430.500 5.528 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)c2)cc1 1874698171 ZMFBJBGQUGGRJR-HMXZRNCQSA-N 432.903 5.954 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 1874709225 BESKHHZVURACOA-RIYZIHGNSA-N 448.946 6.761 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@H](C)Oc3ccc(Cl)cc3)c2)cc1 1874709595 JCHMIPJBGWDICL-LRCYMOHKSA-N 448.946 6.732 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1 1875095110 ZCXCMTAJIHWMND-SFQUDFHCSA-N 438.479 5.972 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCOc3ccccc3)c(Cl)c2)cc1 1875100263 WJSAPHRAHOJMSG-GXDHUFHOSA-N 434.919 6.173 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1)c1cccc([N+](=O)[O-])c1 1875104807 OYNQMPFOXYCGHI-IZZDOVSWSA-N 442.254 6.017 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3Cl)cc2Cl)c1 1875113715 UUSPRSAZJRUCAX-PKNBQFBNSA-N 439.338 6.654 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccccc2OC)cc1 1875161413 OEYUNMFPPLTBJB-FOWTUZBSSA-N 444.527 6.117 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(F)c3)cc2)cc1OC 1875161884 MJCQKPNSWBJIAI-VZUCSPMQSA-N 438.426 5.026 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)c1ccccc1C 1875162072 VUAOZMYZNVHDMZ-DHZHZOJOSA-N 438.426 5.406 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)c(F)c2)c(Cl)c1)c1ccc(F)c(F)c1 1875162487 KMIIEVDHQDQMQT-LREOWRDNSA-N 434.772 6.012 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2sccc2C)cc1 1875181859 AJYLYUVRSOUDMR-RMKNXTFCSA-N 426.921 6.142 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)ccc1OC(=O)c1cccs1 1875181881 BGEINLKPYFAFOS-SOFGYWHQSA-N 442.920 5.842 30 10 IKEE CCC#CC[C@@H](NCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875652269 ROARUBBWDXPIKG-UHSQPCAPSA-N 443.587 5.660 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(F)cc3C(F)(F)F)ccc21 1889606171 RVSDOTOKBSKCFL-UHFFFAOYSA-N 436.405 5.034 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Cl)cc1Br 1898823217 DLKHHLXDKWZBCY-ROUUACIJSA-N 443.813 5.450 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](O)c1cc(Cl)ccc1Br 1922053362 BJNOWRCTKXIORT-RTWAWAEBSA-N 438.793 5.277 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CC[C@@H](CC)CCNC(=O)OC(C)(C)C)NCCC 1922077998 SLADYPUXVIHCKC-ISKFKSNPSA-N 432.649 5.849 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CCc1ccc(NC(=O)OC(C)(C)C)cc1)NCCC 1922079431 FSRSDJOJYVHDLY-RUZDIDTESA-N 438.612 6.107 30 10 IKEE CC1(C)CC[C@](C#N)(Nc2ccc(Br)cc2)[C@H](CNC(=O)OC(C)(C)C)C1 1927168107 ZETHJIGXFJIUCG-YCRPNKLZSA-N 436.394 5.474 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)C1(C)C 1947970038 HDAHIZRHCWXBNT-XMMPIXPASA-N 429.561 5.418 30 10 IKEE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C#N 2006173991 BSNXQDXIJKSFCE-RJGXRXQPSA-N 427.633 5.758 30 10 IKEE Cc1ccc(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 2008449891 VYRXANKNBJYCAF-IMWIBFENSA-N 427.545 5.028 30 10 IKEE C=CCCCCCCCCC[C@H](N)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2026312380 HLCIVOJYJCBUSR-VWLOTQADSA-N 430.677 7.228 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](O)c2c(Cl)ccc(Br)c2F)C1 2063046000 FICZOTYCGMRZPG-HNNXBMFYSA-N 434.733 5.136 30 10 IKEE C#CC(C)(C)C[C@H](N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071362187 ZVYFOLHTPBNMSM-RPLLCQBOSA-N 429.560 5.255 30 10 IKEE Cc1ccc([C@@H](n2nc(C3CC3)c(C#N)c2I)C(C)(C)C)c(F)c1 2079060611 JWIKSHDNPDXJGZ-QGZVFWFLSA-N 437.300 5.320 30 10 IKEE CCOc1ccc([C@@H](CC)n2nc(C3CCC3)c(C#N)c2I)cc1 2080102274 REYDIZVIUBTXQA-QGZVFWFLSA-N 435.309 5.025 30 10 IKEE N#Cc1ccc(Nc2cc(Br)c(Br)c(Br)c2)c(F)c1 2095446228 RZZIHTYGLABHKS-UHFFFAOYSA-N 448.915 5.728 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(Br)ccc(Cl)c1F 2102885709 UXQYTPQEESZRFD-RHSMWYFYSA-N 447.776 5.199 30 10 IKEE COc1cc(Br)ccc1[C@@H](C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 2109261283 APWJPCXLMKLIME-MRXNPFEDSA-N 437.359 5.521 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cccc(Br)c1Cl 2136582014 DGOYSPNYLNSWLU-FUHWJXTLSA-N 445.829 6.003 30 10 IKEE CCCCC#CC[C@@H](N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2139061199 ZOOJDTHIAGRNOG-UHSQPCAPSA-N 443.587 5.789 30 10 IKEE N#C[C@H](C(=O)c1csc(Br)c1Br)c1cccc(Cl)c1F 2150363541 AMLSMGIBHLTYEO-ZETCQYMHSA-N 437.515 5.556 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@]21CNc1cc(Br)c(C#N)cc1F 2162331049 XJUXDOORRWLEPN-VLIAUNLRSA-N 438.341 5.051 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](CCNc1cc(Br)cc(C#N)c1)c1ccccc1 2162413870 HLGHIIAAEQMEGW-IBGZPJMESA-N 430.346 5.389 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@]2(CNc3cccc(Br)c3C#N)CCC[C@H]12 2165304208 NIQZKOTYSPFERS-RXVVDRJESA-N 434.378 5.302 30 10 IKEE C=CCCC[C@H](NCC)c1sc(Br)c(Br)c1Br 2216492045 HGPRLSXFOGRYGA-QMMMGPOBSA-N 446.046 6.043 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCC[C@H]2Nc2ccc(Br)c(C#N)c2)C1 2233774299 FMSYSZAEDGPOHK-POZUXBRTSA-N 434.378 5.158 30 10 IKEE CCC[C@@]1([C@@H](N)C#Cc2ccccc2Br)CCCCN1C(=O)OC(C)(C)C 2235724898 GTSRPUNQWWLOLI-UGKGYDQZSA-N 435.406 5.088 30 10 IKEE C#CCCC[C@H](NCCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237401399 XAPBJFMIKDSGKY-PMACEKPBSA-N 437.422 5.057 30 10 IKEE CN(CCN(Cc1ccccc1)c1c(Br)cccc1C#N)Cc1ccccc1 2241650685 RDHFOCRAHDCDFN-UHFFFAOYSA-N 434.381 5.459 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1ccc(Cl)c(I)c1 2243583518 WEIUVNYIQUAZHA-IBGZPJMESA-N 441.740 5.368 30 10 IKEE C=C(C[C@@H](OCCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)OC 2277094947 QYXOZVAUFBWOGP-HHHXNRCGSA-N 447.575 5.801 30 10 IKEE C=CCN1C(=O)C(=Cc2cc(Cl)c(OCc3ccccc3)c(OCC)c2)SC1=S 2293452815 OWUUPQCEIDHYNN-UHFFFAOYSA-N 445.993 5.705 30 10 IKEE CN(Cc1ccc(C(=O)C#Cc2cccc(Br)c2)cc1)C(=O)OC(C)(C)C 2296220158 VMJKIIZNZQTSAX-UHFFFAOYSA-N 428.326 5.050 30 10 IKEE C[C@H]1Oc2ccccc2C=C1C=C1Oc2cc(OCc3ccc(F)cc3Cl)ccc2C1=O 2296535109 HCJVAUWBSSUGAA-OAHLLOKOSA-N 448.877 6.382 30 10 IKEE COc1cccc(C(=O)Oc2ccc3c(c2)OC(=CC2=Cc4ccccc4O[C@@H]2C)C3=O)c1 2296844748 BWWIYKOHPQCDQA-MRXNPFEDSA-N 440.451 5.238 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2302797146 XYKRJTGVWUJOKC-VAMGGRTRSA-N 435.609 5.532 30 10 IKEE O=C(C=C1Nc2ccc(Br)cc2C(c2ccccc2)=C1[N+](=O)[O-])c1ccccc1 2314482663 QZMNOAFGLYRWQW-UHFFFAOYSA-N 447.288 5.678 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=Nc1nc(-c2ccccc2)cs1 2314544374 ZSAUFYFJTSZHMY-UHFFFAOYSA-N 448.529 5.508 30 10 IKEE C=CCC(CC=C)[C@H](NC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2316740294 AEJUYDHFRCXNAX-LJAQVGFWSA-N 427.588 6.874 30 10 IKEE N#Cc1cccc(C(=O)Nc2ccc(Cl)c(NC(=O)C=Cc3ccc([N+](=O)[O-])cc3)c2)c1 2318772891 MRNXGUUAWJUTTD-UHFFFAOYSA-N 446.850 5.024 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CC2)cc1 2320873780 ZUJLFFFVDSJLDB-UHFFFAOYSA-N 426.589 6.607 30 10 IKEE CC(C)c1nnc(SCc2c(F)cccc2Cl)n1N=Cc1cccc2[nH]ccc12 2321842146 CZLLSCCCKJNGAX-UHFFFAOYSA-N 427.936 5.850 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O3)CN(Cc1ccccn1)CO2 2321968534 ALSZPXOYEVRLQF-UHFFFAOYSA-N 440.543 5.656 30 10 IKEE CCCCCCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccc2c(c1)OCO2)C3=O 2322192695 HHUVSMKOTYEFPU-UHFFFAOYSA-N 449.547 5.852 30 10 IKEE COc1ccc(C=C2Oc3c(cc4c(c3C)OCN(CCc3ccccc3)C4)C2=O)cc1 2322286842 TVQFDQRPBDCDGJ-UHFFFAOYSA-N 427.500 5.014 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(Cl)cc2)c1OCC(=O)Nc1cc(C)ccc1C 2322542418 WYBFGDNODDIJGU-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE Cc1cc(C(=O)C=Cc2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)ccc1F 2322630765 AAMLQJQCOHQZSI-UHFFFAOYSA-N 441.458 6.671 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccc(C)c(C)c2)cc1F 2322705129 VVIXNXVWPWPXOI-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE COc1cccc2cc(C(=O)Oc3ccc4c(c3)OC(=Cc3ccccc3F)C4=O)oc12 2322856936 OUUYCAVLHCGTFW-UHFFFAOYSA-N 430.387 5.416 30 10 IKEE Cc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(-c4ccccc4)cc2)C3=O)c1 2322884219 ALACAHAFYFQPKN-UHFFFAOYSA-N 446.502 6.806 30 10 IKEE CCCN(CCC)C(=O)COc1cccc(C=CC(=O)c2ccc(Cl)cc2Cl)c1 2323075895 LFNZJTLNIYWXSW-UHFFFAOYSA-N 434.363 5.917 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1OCC(=O)Nc1ccccc1C 2323118444 XOCMNTOTQRQZNS-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE Cc1cccc(NC(=O)COc2cccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)c2)c1C 2323195440 DDHBUPBKRYWLLC-UHFFFAOYSA-N 441.571 6.515 30 10 IKEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CC[C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C1 2323304296 GHRPPFUHKWKQQN-TVZXLZGTSA-N 442.600 5.088 30 10 IKEE CCOc1ccc(CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(OC)cc2)C3=O)cc1 2323370680 DDXSUXKAVWVBHM-UHFFFAOYSA-N 444.483 5.167 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(OC)cc2)C3=O)c1 2323831717 XPGSIHFQMMOYCW-UHFFFAOYSA-N 444.483 5.628 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)c3ccc(OC(=O)C(C)C)cc3)ccc2C1=O 2323933557 GLWZUJKXPZCTSG-UHFFFAOYSA-N 442.467 5.392 30 10 IKEE Cc1ccc(C=CC(=O)N2CC=C(c3ccc(OC(=O)c4cccc(C#N)c4)cc3)CC2)cc1 2324151905 DADRSIXSDJLSOW-UHFFFAOYSA-N 448.522 5.415 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2C)C3=O)c(C)c1 2324494205 BFVCGYPEBNSZCP-LJQANCHMSA-N 427.500 5.634 30 10 IKEE COc1ccccc1C=C1Oc2cc(OCCCCOc3ccccc3)cc(C)c2C1=O 2324582594 QFGMATPUVOXWDJ-UHFFFAOYSA-N 430.500 5.858 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OCCOc3ccc(C(C)(C)C)cc3)c2C)C1=O 2324691215 SULBMUWDWPACQR-UHFFFAOYSA-N 442.555 6.675 30 10 IKEE COc1cc(OC)c(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(F)cc3)n2)cc1Cl 2324745164 XPALTEUOBADVEB-INIZCTEOSA-N 442.899 5.509 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCCC(=O)Nc4ccc(C)cc4)ccc3C2=O)cc1 2325224541 FATQJMACRXPLOQ-UHFFFAOYSA-N 443.499 5.418 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1OC(=O)[C@@H](C)c1ccccc1 2325701340 RILRNQVDNWIGFV-FQEVSTJZSA-N 440.539 6.179 30 10 IKEE COc1ccccc1CCC(=O)Oc1cccc(C=CC(=O)c2ccc(OC)c(OC)c2)c1 2325703762 FPVBUMMPIGTPOA-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1cccc(C=CC(=O)c2ccc(CC)cc2)c1 2325705725 SCKDDRUNAJVFTF-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1OC(=O)Cc1cccs1 2325708094 PBNHOAJHYSZZAU-UHFFFAOYSA-N 447.339 6.108 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2OC)cc1OC(=O)CCCOc1ccccc1 2325723000 JVJQFAZRQIDHSC-UHFFFAOYSA-N 446.499 5.365 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccc(C)c(Cl)c4)c3C)C2=O)cc1 2325729738 PFUPEXUPTQKWEZ-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE Cc1cccc(C)c1OCCCC(=O)Oc1cccc(C=CC(=O)c2ccc(F)cc2)c1 2325751328 BARCIKBDIMVRPW-UHFFFAOYSA-N 432.491 6.103 30 10 IKEE CCOc1ccc(C=Nn2c(COc3cc(C)c(Cl)c(C)c3)nnc2SCC)cc1 2326130876 AEQHEXAWMXNYLI-UHFFFAOYSA-N 444.988 5.520 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccc(F)cc2)c(C)c1 2326461223 JDFNRTXREMDFLT-UHFFFAOYSA-N 430.552 5.799 30 10 IKEE CSc1nnc(COc2ccccc2Cl)n1N=Cc1ccc(C(F)(F)F)cc1 2327601221 VXXUFVHTUCIPDU-UHFFFAOYSA-N 426.851 5.133 30 10 IKEE CCCCCOc1ccc(C=Nn2c(COc3cccc(C)c3C)nnc2SC)cc1 2328814042 GQZDVDJKCYNWFZ-UHFFFAOYSA-N 438.597 5.647 30 10 IKEE Cn1cccc1C=Nn1c(Cc2ccc(Cl)cc2)nnc1SCCc1ccccc1 2329102904 OXZJNRVCCLOUAZ-UHFFFAOYSA-N 435.984 5.078 30 10 IKEE Fc1ccc(CSc2nnc(CCOc3ccccc3)n2N=Cc2ccccc2)cc1 2329162362 FGVQSEWAONUVLV-UHFFFAOYSA-N 432.524 5.213 30 10 IKEE Cc1cccc(CSc2nnc([C@@H](C)c3ccccc3)n2N=Cc2ccc(O)cc2O)c1 2330075783 QPYOVQOJIOWHJH-SFHVURJKSA-N 444.560 5.324 30 10 IKEE COc1cccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2-c2cccs2)c1 2330583793 SXZBUHCWPBETIM-UHFFFAOYSA-N 434.590 5.807 30 10 IKEE COc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC(=O)C1CC1 2330596361 SQWZMBZCPZATGA-UHFFFAOYSA-N 428.484 5.582 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)CCCC4)cc2)cc1 2330678401 AVUGSNZDYJKALX-UHFFFAOYSA-N 426.512 6.079 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1ccccc1OC 2330705253 LKDJGMJUUVJILB-UHFFFAOYSA-N 442.511 5.698 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3cccs3)c(OC)c2)cc1 2330738596 HAPFKTBZVJZKCC-UHFFFAOYSA-N 426.921 6.088 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Cl)c(OC(=O)CCCSC)c(OC)c2)c1 2330774748 UYFARJZJUXOBHH-UHFFFAOYSA-N 434.941 5.302 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Br)c2)cc(OC)c1OC(=O)C(C)(C)C 2331001041 PBXXFCHGNZUSAN-UHFFFAOYSA-N 447.325 5.314 30 10 IKEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC(=O)c1ccccc1C 2331019716 OYSSZXVUACGPLX-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OC(=O)Cc1ccc(C)c(C)c1 2331174106 UJJFXNQJEVFUTJ-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE O=C(Cc1ccc(Cl)cc1)Oc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1 2331238648 IPMVEOGUTYIWBB-UHFFFAOYSA-N 445.729 6.691 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@@H]2CCCO2)c(Cl)c1)c1ccc(Cl)c(Cl)c1 2331242374 VCKQETOGCBPBNX-IBGZPJMESA-N 425.695 5.627 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccncc1 2331246705 NYTIZWMBPNYKBV-UHFFFAOYSA-N 442.298 5.902 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1ccc(N(C)C)cc1 2331259598 AYOLDSXJMSBBCB-UHFFFAOYSA-N 445.515 5.194 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)Cc1ccccc1[N+](=O)[O-] 2331348904 ZMZJWKCPYWQGCF-UHFFFAOYSA-N 449.434 5.095 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(F)c3)cc2)c1 2331555070 PKZTWFXHHOCEKP-UHFFFAOYSA-N 438.426 5.026 30 10 IKEE CCN[C@H](C#C[C@H]1CC1(F)F)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2341016605 YEJXXARFDFULHB-BLLLJJGKSA-N 429.305 5.105 30 10 IKEE CN(c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CN(Cc2ccccc2)C(C)(C)C1 2365107474 UCMAGSDMYJJCRO-HSZRJFAPSA-N 447.432 5.216 30 10 IKEE CCN[C@H](C#Cc1ccccc1Cl)c1sc(Cl)cc1I 2366655705 UNTYJAZQVFFOTE-CYBMUJFWSA-N 436.145 5.362 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccs2)cc1OC 20882017 YSLQKNSPWOPWCF-WGDIFIGCSA-N 446.572 6.135 30 10 IKEE COc1cccc2c(C)cc(S[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCC4)nc12 32530169 OAZRTQXPKXPLBA-CQSZACIVSA-N 437.590 5.483 30 10 IKEE O=[N+]([O-])c1ccc(N/N=C\c2ccc(-n3nncc3C34CC5CC(CC(C5)C3)C4)cc2)cc1 33154789 LKGXJJIBINYLSI-YSMPRRRNSA-N 442.523 5.089 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(C(C)(C)C)cc4)c3C)C2=O)c1 41288444 GAXVMVQMEOOHDP-JLPGSUDCSA-N 442.511 6.137 30 10 IKEE COC(=O)c1c(/N=C/c2ccc(OC(C)=O)c(OC)c2)sc(Cc2ccccc2)c1C 59460326 IUFYPEGLMDRGEL-AFUMVMLFSA-N 437.517 5.118 30 10 IKEE COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)ccc1OC(C)C 59676340 RXTSFXWIALKMTC-JVWAILMASA-N 448.588 6.426 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2ccc(I)cc2)cc1 100153033 NYKXJRLHRKMTPI-UHFFFAOYSA-N 437.321 5.893 30 10 IKEE O=C(C[C@@H](/N=C\c1ccccc1Cl)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 101321625 JAVCPZROVXFRMI-QEPAMEFZSA-N 434.106 5.679 30 10 IKEE O=S(=O)(/N=C\c1ccc(Cl)c(Cl)c1)N(Cc1ccccc1)Cc1ccccc1 102033255 LSAMVLKQPXGBON-OYKKKHCWSA-N 433.360 5.360 30 10 IKEE CCCCCCCCCOc1ccc([C@@H]2NC(=S)NC3=C2C(=O)CCC3)cc1OC 169938866 PZALRNACBFLZJQ-QHCPKHFHSA-N 430.614 5.351 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccc(O)cc2)c(C)c1 169963153 FBPNIZULPAUNJG-VWLOTQADSA-N 427.500 5.111 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2cc(C)ccc2O)c1 169970839 WUSIIWZDJMBOAT-XMMPIXPASA-N 427.500 5.409 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@@H]1c1ccncc1)c1ccc(Cl)cc1 170018350 GJYJOTJWDVOIQU-LJQANCHMSA-N 443.261 5.310 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccncc2)c1 170025745 LYUDPQPMAGAXTM-SANMLTNESA-N 448.522 5.630 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccccc2)c1 170047186 SRZWUUSVHAMCGP-XMMPIXPASA-N 443.499 5.267 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1 170067223 PGNMVZDPYMIJNK-RUZDIDTESA-N 429.516 5.501 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccccc2F)c1 170069140 OXXGLMYNHDEOHE-HSZRJFAPSA-N 443.430 5.363 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(OC)cc2)cc1 170114796 NNIZDGOSSFXOSG-XMMPIXPASA-N 449.547 5.395 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccn2)cc1C(C)C 170168028 QZBWSKDEZDIGFM-JOCHJYFZSA-N 448.544 5.054 30 10 IKEE Cc1ccc(-c2nc(C3=C(N)N(c4cccc(C(F)(F)F)c4)CC3=O)sc2C)cc1 170179389 OPAUNFSFIIQEKT-UHFFFAOYSA-N 429.467 5.162 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccncc2)cc1C 170203202 GRMGYYJDJMZYGR-XMMPIXPASA-N 442.515 5.107 30 10 IKEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)c(F)c4)[C@H]3c3ccccc3)ccc2O1 170223220 GRVYRTVXLXAUDG-FATZIPQQSA-N 447.437 5.071 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(Cl)cc1)c1cccc(Cl)c1 170235457 FAEFFJFEDSZXDR-IBGZPJMESA-N 428.271 5.365 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(C(C)C)cc1 170246376 CSRKMGWCFTYDSV-HSZRJFAPSA-N 437.511 5.479 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@H]1c1ccc(CC)cc1 170267722 FBINMQPCUSAKIF-OAQYLSRUSA-N 427.928 5.289 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2ccccc2C)cc1 170272592 GSLBGTVJTPHDTE-XMMPIXPASA-N 425.484 5.021 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2c2ccc(F)cc2)o1 170299645 JOKZCLWXWAUIEI-QHCPKHFHSA-N 431.463 5.389 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2ccc(C)c(C)c2)o1 170301737 HRSSXLFTDXSMIU-VWLOTQADSA-N 437.495 6.141 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(C)o1 170311066 TZHIUTNACDSMPM-IBGZPJMESA-N 429.900 5.079 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc(OCCC)c1 170323360 BPUUJKBYJPZIJW-RUZDIDTESA-N 443.543 6.007 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccc(OCC)c2)cc1 170364776 QDLOBWMEDDSEFP-QFIPXVFZSA-N 449.528 5.328 30 10 IKEE CC1(C)OB([C@H]2C=CC=C[C@]2(/C=C\c2ccccc2)B2OC(C)(C)C(C)(C)O2)OC1(C)C 199508803 JIVNRTMPQKZINX-AXDADHJXSA-N 434.194 6.121 30 10 IKEE CC1(C)OB(c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)OC1(C)C 221797662 QWTMGQHNQOPQHW-UHFFFAOYSA-N 445.371 6.750 30 10 IKEE Cc1cccc(N=C2S/C(=C\c3c[nH]c4ccc(Br)cc34)C(=O)N2C)c1C 252620927 MPHGYVPESXJXRT-HGNJTZEFSA-N 440.366 5.781 30 10 IKEE Cc1cccc(NC2=C(Sc3ccc(Cl)cc3)C(=O)N(c3ccccc3C#N)C2=O)c1 526643267 WKKSUNVLJURPFE-UHFFFAOYSA-N 445.931 5.509 30 10 IKEE CCCCCOc1ccc(/C=N\n2c(C)nnc2SCc2cccc(Cl)c2)cc1 526812112 ZOBVFXANQAYGEP-IWIPYMOSSA-N 428.989 5.983 30 10 IKEE Cc1[nH]c2ccccc2c1/C=N\n1c(C)nnc1SCc1ccc(Cl)c(Cl)c1 526813877 CODHLKALFBACKO-RMORIDSASA-N 430.364 5.858 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1cn(CC)c2ccccc12 526817177 JBKROUXBNUFWKY-ROTLSHHCSA-N 441.963 5.782 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1cccc(OCC)c1O 526825725 JQMQNQJTYZLZQL-OYKKKHCWSA-N 428.533 5.039 30 10 IKEE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1scc(-c2ccc(F)cc2)c1C#N 526914350 YKZKPCXXQJGSAL-NSHDSACASA-N 435.307 6.139 30 10 IKEE Cc1cccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(Br)cc2)c1 586205626 LVVAEOHKRHCROS-UHFFFAOYSA-N 441.350 5.025 30 10 IKEE C=CCCCCC[C@H](O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 686832131 LDUZIVXGUROZNU-QHCPKHFHSA-N 430.633 5.433 30 10 IKEE O=C1/C(=C\c2cccc(Br)c2)SC(=Nc2ccccn2)N1C1CCCCC1 1772730393 BVJNBRSFMKLOKT-UQIYEGRLSA-N 442.382 5.781 30 10 IKEE CC(=C\c1ccccc1)/C=C1/SC(=Nc2ccncc2Cl)N(c2ccccc2)C1=O 1772738764 WADYOKAFGZDSQU-NGNJZBRFSA-N 431.948 6.490 30 10 IKEE Cc1c(N=Nc2cccc(Cl)c2Cl)c(O)n(CCc2ccccc2)c(=O)c1C#N 1772740734 FCYBPOBXQSOTSH-UHFFFAOYSA-N 427.291 5.699 30 10 IKEE C=CCN1C(=O)[C@@H](CC(=O)c2ccc(C)c(C)c2)SC1=Nc1cccc2ccccc12 1772760068 ODBHVLJEUQUYMH-XMMPIXPASA-N 428.557 5.847 30 10 IKEE COc1cc(C=NN(Cc2ccccc2)c2ccccc2)ccc1OCc1nonc1C 1772765437 PUHJBNQNKIVAQJ-UHFFFAOYSA-N 428.492 5.006 30 10 IKEE COc1ccc(NC(=S)N/N=C\c2cn(-c3ccc(F)cc3)nc2-c2ccccc2)cc1 1857808725 HUFVPKFMLIWMIT-YSMPRRRNSA-N 445.523 5.008 30 10 IKEE N#Cc1ccccc1NC(=O)Oc1cccc2c(NC(=O)Cc3ccc(F)cc3)cccc12 1858770511 OIRHIYNDBAXUMY-UHFFFAOYSA-N 439.446 5.643 30 10 IKEE N#Cc1cccc(C(=O)Nc2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc2Cl)c1 1860456307 JPVIOARBWQUSDE-UHFFFAOYSA-N 443.812 5.735 30 10 IKEE N#Cc1c(O)nc(SCCCCOc2ccc(Cl)cc2)nc1-c1cccc(Cl)c1 1860466584 ZUWUMVHROAESMZ-UHFFFAOYSA-N 446.359 5.979 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)c1ccc2nc(CC)[nH]c2c1 1860960524 IGXQKAWCALULKM-VWLOTQADSA-N 428.621 5.281 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)c1ccccc1Br 1861021417 VAFZZJXTVDZSFB-IBGZPJMESA-N 425.411 5.214 30 10 IKEE C=CCN(CC=C)C(=O)c1ccc2nc(-c3ccc(OCC(C)C)c(OCC)c3)[nH]c2c1 1861868580 PWCXCEDUFXGQST-UHFFFAOYSA-N 433.552 5.478 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2cccc(F)c2)cc1 1862391326 YFFHISFGDUDDRJ-RUZDIDTESA-N 443.518 5.947 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2cccc(Cl)c2)cc1 1862392132 QEPZSQNBBWKAPN-OPAMFIHVSA-N 425.956 6.059 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1cccc2ccccc12 1862420876 SCTLFBBZZOQRRK-XMMPIXPASA-N 449.497 6.277 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccccc1F 1862431066 YYNZYWICWAUYNP-NRFANRHFSA-N 445.918 5.264 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1862431502 ISCAUOYCBOJIRU-PEBXRYMYSA-N 449.890 5.091 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccccc1Cl)c1ccccc1Cl 1862432342 BYKQGBUFVSBUIF-FQEVSTJZSA-N 439.298 5.167 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@@H]1c1cccc(O)c1)c1cccc(Cl)c1 1862442115 GMTVTJIQIOOILQ-HSZRJFAPSA-N 447.918 5.257 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862442642 TYFQAQXCKNBJIF-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc3c(c2)CCCN3C)cc1 1862481648 CMRBNWBJFZXSQP-RUZDIDTESA-N 444.575 5.288 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2cc(Br)ccc2F)cc1 1862483650 CKPNOPYSPSBLNG-IBGZPJMESA-N 446.316 5.131 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CC2)cc1OC 1862484789 VFTBHFKGRUKGSM-XMMPIXPASA-N 449.547 5.313 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc(C(F)(F)F)cc2)c1 1862495964 YODLYORNYXXPLD-FQEVSTJZSA-N 431.454 5.557 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cccc(Br)c1 1862496038 AFRFJMNEWHSEEL-FOIQADDNSA-N 442.353 5.443 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2cccc(OC)c2)cc1 1862529543 HOJKLLZXJVNHTF-XMMPIXPASA-N 445.490 5.175 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1cc(Cl)cc(Cl)c1 1862537805 FHZHAOHKRLZUOO-OAQYLSRUSA-N 446.374 6.324 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2cc(Br)ccc2F)cc1 1862541324 JIMQCPUTHMPNCB-IBGZPJMESA-N 446.316 5.137 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1c(F)cccc1Cl 1862620394 RANYSDBXCLVHRJ-FQEVSTJZSA-N 429.919 5.765 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(C(C)C)cc1 1862650795 DNGNPBQGBSHQFC-IQGLISFBSA-N 427.544 6.340 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc2c(c1)OCCO2 1862666768 LVNBGHRHZRHBDG-DEOSSOPVSA-N 449.547 5.206 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccccc2Cl)cc1 1862672952 IHBHGOHSSSCWKM-HSZRJFAPSA-N 449.909 5.820 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2ccc(C)cc2)cc1 1862688265 VNVUDYQXFNEJCW-RUZDIDTESA-N 441.527 5.399 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc2cc[nH]c2c1 1862726233 AYCATGQSTBRFTJ-VWLOTQADSA-N 436.511 5.823 30 10 IKEE CCCOc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 1863348605 JHWXQSCMWRKVEX-MBSDFSHPSA-N 443.547 5.118 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2Cl)C(=O)N(CCCCC)C1=O 1863776001 SVNCDDHCUQKZSM-UHFFFAOYSA-N 433.036 6.340 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(F)c(C)c2)C(=O)N(Cc2ccco2)C1=O 1863785768 NWGSHJQBZYGLAZ-UHFFFAOYSA-N 440.559 5.738 30 10 IKEE CCCCCCCCCCCC(=O)Nc1c(C(=O)OCC)cnn1-c1cccc(Cl)c1 1865986004 HOPBQXNZJQSKFA-UHFFFAOYSA-N 448.007 6.562 30 10 IKEE CCC[C@@H](NC(=O)[C@H](c1ccc(Cl)cc1)C1CCCC1)C(=O)Nc1cccc(C#N)c1 1867005503 LYXBEFCSRYSIGN-PKTZIBPZSA-N 437.971 5.409 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)/C=C/c2ccccc2Cl)n(-c2ccc(C)cc2)n1 1870000948 HVBKGQQCDHVPMY-NTCAYCPXSA-N 433.943 5.059 30 10 IKEE N#Cc1nnn(-c2ccc(Cc3ccccc3)cc2)c1NC(=O)/C=C/c1cccc(Cl)c1 1870143604 SQALLZLNRVLUTA-SDNWHVSQSA-N 439.906 5.035 30 10 IKEE C=CCOc1cn(CCc2ccc(F)cc2)c(CNc2cc(Cl)ccc2C)cc1=O 1870809875 ZUJLRYNPQWVSKF-UHFFFAOYSA-N 426.919 5.369 30 10 IKEE CCCCCCCOc1cn(CCCO)c(CNc2ccc(N(CC)CC)cc2)cc1=O 1870837647 QTVHNSJPKIZVED-UHFFFAOYSA-N 443.632 5.038 30 10 IKEE CCCCCCCCn1cc(OCCOC(C)C)c(=O)cc1CNc1ccc(C)cc1C 1870986510 GRFFFQGUBHNPFC-UHFFFAOYSA-N 442.644 6.242 30 10 IKEE C#CCOc1cn(CCCCCCCC)c(CNc2cccc([N+](=O)[O-])c2C)cc1=O 1871007019 HLWLIHALLGNWCI-UHFFFAOYSA-N 425.529 5.050 30 10 IKEE CCc1ccc([C@H](C)N2COc3cc(C)c4c(c3C2)O/C(=C\c2ccccc2F)C4=O)cc1 1871354602 VHUZAIOVGURQHQ-BDFPJNNISA-N 443.518 6.226 30 10 IKEE COc1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871377173 YJMIIXGNEYUAMG-RQXPBMLRSA-N 446.886 5.892 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(C)o1)C2=O 1871383580 STMYYRPVDCUGCY-ZDLGFXPLSA-N 445.254 5.739 30 10 IKEE CCCC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)o2)C3=O)c1 1871391015 KPHJNBIOOVGDGY-XKZIYDEJSA-N 446.455 5.437 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(O[C@H](C)C(=O)Nc4cccc(C)c4C)c3C)C2=O)cc1 1871413492 HZIRPHMDDXFIEN-UQEONJGVSA-N 441.527 5.942 30 10 IKEE COc1ccc(C)cc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccccc1F)C2=O 1871428548 ICPHCKRPJXOFSW-QRVIBDJDSA-N 447.462 5.085 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OCCc4ccc(C)cc4)cc(C)c3C2=O)c2ccccc21 1871437688 WWKUOUFCALMIAN-YUMHPJSZSA-N 437.539 6.516 30 10 IKEE C=CCN(CC=C)c1nc(=NCCC(C)C)nc(Nc2ccc(Nc3ccccc3)cc2)[nH]1 1871605621 DZTDVHKKYFTQGU-UHFFFAOYSA-N 443.599 5.417 30 10 IKEE C=CCN([C@H](CC)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1871802597 BWAUWNBXSFOYIG-OAQYLSRUSA-N 449.016 5.168 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(CCCC)cc1)[C@H](C)CC)S(=O)(=O)c1cccs1 1871830945 ARBGXHQJOLZXGC-XMSQKQJNSA-N 448.654 5.321 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(Nc2ccccc2)cc1)S(=O)(=O)CCC 1872157612 MIRSAZWQGCYXPR-HSZRJFAPSA-N 443.613 5.155 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(C)c(C)c1 1872512800 ARXYUGYJSWGXFC-DEOSSOPVSA-N 442.625 5.294 30 10 IKEE N#C[C@@H](C(=O)Cc1ccc(F)cc1F)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872759174 GOLPAMSDPBHGQT-NRFANRHFSA-N 430.479 6.174 30 10 IKEE COc1cccc(-c2csc([C@H](C#N)C(=O)c3ccccc3C(=O)c3ccccc3)n2)c1 1872762408 LTUVBTXSCFIOQQ-JOCHJYFZSA-N 438.508 5.540 30 10 IKEE CC(=O)Oc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1 1872768904 FIJHNCSYPLSPOQ-HNNXBMFYSA-N 431.300 5.532 30 10 IKEE Cc1cc(C)c(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)c(C)c1 1872785896 BNDVVDHOFDYLFE-HNNXBMFYSA-N 425.897 5.787 30 10 IKEE CCOc1ccc(CC(=O)[C@H](C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc1 1872788439 IFCVOYMLBSIAMC-SFHVURJKSA-N 426.925 5.290 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCc2cccs2)=C(c2ccccc2)C1=O 1873160509 BSQUQOMGSVHBHJ-UHFFFAOYSA-N 438.637 5.801 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(C(C)C)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422725 MBWHCHQTDMGMRX-UHFFFAOYSA-N 439.559 5.596 30 10 IKEE CCCCCCCCCCNC(=O)c1cc2c(N(C)C)ncnc2n1Cc1ccco1 1873598607 CAYTZKNNCGDDGZ-UHFFFAOYSA-N 425.577 5.009 30 10 IKEE CCSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1ccc(CC)cc1 1874206279 UDPDNLVLXOIHLV-FSJBWODESA-N 435.380 5.721 30 10 IKEE CCCOc1ccccc1/C=N/n1c(CC23CC4CC(CC(C4)C2)C3)nnc1SCC 1874244103 OAFMAVGTSDBZDD-YZSQISJMSA-N 438.641 5.820 30 10 IKEE OCCCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccccc1Cl 1874271282 NKAKWJLAHMVRLN-PCLIKHOPSA-N 436.968 5.032 30 10 IKEE Fc1ccc(CSc2nnc(COCc3ccccc3)n2/N=C/c2ccccc2)cc1 1874352826 DBNLHQMIEWDIAQ-CVKSISIWSA-N 432.524 5.309 30 10 IKEE CSc1nnc(CC2CCCCC2)n1/N=C/c1ccc(OCc2ccc(C)cc2)cc1 1874405174 KIMUABODBBWWMN-YZSQISJMSA-N 434.609 5.892 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SC)cc1OC 1874405802 PRBKOLZHNUSCJN-JJIBRWJFSA-N 430.618 5.583 30 10 IKEE Cc1cccc(/C=N/n2c(Cc3cccs3)nnc2SCc2cccc(Cl)c2)c1 1874414107 CBRSLEBOYVKRCX-ZVHZXABRSA-N 439.009 6.067 30 10 IKEE C=CCSc1nnc(-c2cccs2)n1/N=C/c1ccc(OCCCC)c(OC)c1 1874423005 PRCNYLYVQVPIDR-PXLXIMEGSA-N 428.583 5.354 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccccc3)n2/N=C/c2ccc(O)c([N+](=O)[O-])c2)c1 1874426421 HRBKJZJHKZGVNQ-ZVHZXABRSA-N 445.504 5.042 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2[C@H]2CCCO2)cc1 1874442296 YCACHHSHTCVKTK-NWJFTTBMSA-N 449.624 5.459 30 10 IKEE O=C(CSc1nnc(C2CCCC2)n1/N=C/c1cccc(Cl)c1)NC1CCCCC1 1874456891 PPMGVFHWTLUNGV-ZVHZXABRSA-N 446.020 5.012 30 10 IKEE CC(C)(C)c1nnc(SCCc2ccccc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874484950 WQFVCTDJYWEEFD-ZVHZXABRSA-N 433.408 6.099 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(OC)cc1 1874510961 CWTZIIGMMFMAIZ-FSJBWODESA-N 435.380 5.721 30 10 IKEE COc1ccccc1/C=N/n1c(CCCOc2cc(C)c(Cl)c(C)c2)nnc1SC 1874542266 QYSPBUWAQKSRON-ZVHZXABRSA-N 444.988 5.173 30 10 IKEE O=C(/C=C/c1cc(Br)ccc1OCc1ccccc1)c1ccc(Cl)cc1 1874577226 DGRIIVOXUDOISH-XYOKQWHBSA-N 427.725 6.578 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCc2cccc(F)c2)cc1F 1874582218 DFWCRHVVSXEJHH-SOFGYWHQSA-N 444.861 6.111 30 10 IKEE COC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(Oc2ccccc2)cc1 1874584979 HCLDYOMWFIHCEQ-WUKNDPDISA-N 438.479 6.080 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2c(C)cc(C)cc2C)c1OCc1ccccc1F 1874590062 QUVJGKGFYDNHNJ-MDZDMXLPSA-N 438.926 6.888 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(F)cc3F)cc2Cl)cc1 1874611238 DFXMDATUOBNOPJ-ONNFQVAWSA-N 441.861 5.840 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)ccc1OCc1ccccc1F 1874639367 WSQSMCTULFWCES-JXMROGBWSA-N 426.871 5.971 30 10 IKEE O=C(CCOc1ccccc1)Oc1cccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1 1874695709 OXYHSFUHPBOECW-FMIVXFBMSA-N 441.310 6.264 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)c2)cc1C 1874696045 GCNUFABAGJIPKC-GVMLUBPESA-N 446.930 6.262 30 10 IKEE CCc1ccc(CCC(=O)Oc2cc(/C=C/C(=O)c3ccc(C)cc3C)ccc2OC)cc1 1874701501 VYBKIAJGAKRFEP-RVDMUPIBSA-N 442.555 6.309 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2ccc(F)cc2)cc1OC(=O)CC(C)C 1874710299 VGCRNEOPZJNMEI-RMKNXTFCSA-N 435.289 5.444 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2cccc(OC(=O)Cc3ccccc3Cl)c2)c1C 1874710837 KYJZDWNGYRZPNW-OUKQBFOZSA-N 432.947 6.618 30 10 IKEE C=CCN(CC=C)CCC(=O)c1cccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)c1 1874722432 XBVQQLKEVGKKRT-UHFFFAOYSA-N 431.363 5.421 30 10 IKEE O=C(Cc1cccs1)Oc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1[N+](=O)[O-] 1875095575 WRDXWMWCIBJSJA-YRNVUSSQSA-N 443.480 5.854 30 10 IKEE O=C(COc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1 1875104915 UWLXQGHLYRVTON-MDWZMJQESA-N 427.283 5.874 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2Cl)cc(OC)c1OC(=O)c1ccccc1 1875110678 WNUWLHMVGCMIPB-CCEZHUSRSA-N 432.903 6.192 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(-c3ccccc3)cc2)cc1)c1ccc([N+](=O)[O-])cc1 1875117272 MGVLUIOIFUMHML-UFWORHAWSA-N 449.462 6.377 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)cc1)c1ccc(F)cc1F 1875120249 KGRMLJNECJISGA-GDZYHKTMSA-N 438.857 6.223 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)c1ccncc1 1875142785 UAZJXJKRGCFGLN-RMKNXTFCSA-N 431.463 5.382 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc1C(C)C 1875163711 YPMSLKADVBYNPY-VGOFMYFVSA-N 448.946 6.896 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc4ccccc4n3C)c(Cl)c2)cc1C 1875175147 ASNVRLNJRSOAEF-FMIVXFBMSA-N 443.930 6.564 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)[C@H]1CCCO1 1875183645 MAKVNHYIFJWSMM-BREAQWACSA-N 434.532 5.329 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Br)c1OC(=O)C(C)C 1875183747 QOXYUTLACQQKFJ-BQYQJAHWSA-N 445.353 5.840 30 10 IKEE Cn1nc(-c2ccc(-c3ccccc3)cc2)cc1C(=O)N1CCC(C#N)(c2ccccc2)CC1 1891767142 IIHMEBNJLSCFNL-UHFFFAOYSA-N 446.554 5.452 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1ccc(OC)cc1NC(=O)OC(C)(C)C 1922119378 NPDHNROFCICVMQ-QHCPKHFHSA-N 426.557 5.466 30 10 IKEE CCCCCCC[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)C(=O)O 1927449160 FGQXDJLQFGJKMM-WINIVTDRSA-N 437.580 6.365 30 10 IKEE CC1(C)C[C@H]([C@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C1 1931256385 LKCPOBBVYZEPPN-UXHICEINSA-N 443.588 5.351 30 10 IKEE C#Cc1ccc([C@@H](CCC(=O)O)CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1 1951873771 VWMIOXFXIJVORC-NRFANRHFSA-N 439.511 5.155 30 10 IKEE C=C(COCc1ccccc1)C(=O)C12C[C@H]3C[C@@H](CC(NC(=O)OC(C)(C)C)(C3)C1)C2 2013337632 PPACDTPZUBYMQN-QJMPUOCTSA-N 425.569 5.192 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 2059077668 XNUUKIPCPPIANZ-BWKNWUBXSA-N 438.612 6.086 30 10 IKEE O/N=C/c1cc(C2CCCCC2)nn1Cc1ccc(C(F)(F)F)cc1Br 2070134032 IFTHQMNPXCEING-AUEPDCJTSA-N 430.268 5.569 30 10 IKEE Fc1cc(Cn2nc(C3CC3)c(C(F)(F)F)c2Br)ccc1C(F)(F)F 2079819056 VWVYIZKPKXGCLR-UHFFFAOYSA-N 431.149 5.748 30 10 IKEE COc1ccc([C@@H](n2nc(C3CCC3)c(C=NO)c2Br)C(C)(C)C)c(F)c1 2080059765 CPWFWDQHALXFKO-GOSISDBHSA-N 438.341 5.504 30 10 IKEE N#Cc1c(C2CCCC2)nn(Cc2cc(F)cc(Br)c2)c1Br 2080294756 CQPZWQUJYLWBNN-UHFFFAOYSA-N 427.115 5.125 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cccc(Br)c1Cl 2081383801 QRPXQTUAJDPQIP-RDJZCZTQSA-N 429.786 5.060 30 10 IKEE CC1(C)OB(c2ccc(C(F)(F)F)c(N(Cc3ccccc3)C3CCCC3)c2)OC1(C)C 2116145143 JWTRJUMTXVSYTC-UHFFFAOYSA-N 445.334 5.954 30 10 IKEE C=C1CCC(C[C@H](NC)c2ccc(Br)cc2I)CC1 2142288722 ULSLPNIIEVGHDR-INIZCTEOSA-N 434.159 5.451 30 10 IKEE CC[C@@]1(CNc2ccc(C#N)c(Br)c2F)CCCN(C(=O)OC(C)(C)C)C1 2162409901 KHNWMOBXAWBNGD-FQEVSTJZSA-N 440.357 5.299 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)[C@@H]1C[C@@H]1c1ccccc1 2200299030 UWWQXXXZCPKGLG-VAMGGRTRSA-N 427.342 5.886 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1sc(C)c(C)c1Br 2221829829 GGCJLYUWOYJAHO-ZBFHGGJFSA-N 431.440 5.638 30 10 IKEE C=CC[C@H](C)[C@H](NCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229111346 XCCZSTOMNVSQPN-SNRMKQJTSA-N 425.411 5.075 30 10 IKEE Cc1ccc(I)c(Nc2ccc(C#N)c(Br)c2F)c1 2231922084 YEMLHGZVGUYIHQ-UHFFFAOYSA-N 431.046 5.117 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Cl)c(Cl)c(Cl)c1 2232514557 VCCXTMINLQMDOW-WMZOPIPTSA-N 435.823 6.547 30 10 IKEE C=C1C[C@@H]1C[C@@H](NCCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237401898 CXJHJVBVRNMJIA-RLLQIKCJSA-N 437.422 5.219 30 10 IKEE C=CCCC1([C@@H](O)c2c(C)sc(C)c2Br)CN(C(=O)OC(C)(C)C)C1 2254993253 DFXZJDDZAYZDOC-INIZCTEOSA-N 430.408 5.364 30 10 IKEE C=CCCC1([C@H](N)c2c(C)ccc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2266303246 SYJITQHKPKYZGM-QGZVFWFLSA-N 427.358 5.100 30 10 IKEE CC1(C)OB(c2ccccc2NC(=O)N(Cc2ccccc2)CC2CCCC2)OC1(C)C 2267634186 OZQNFKVBRJMPAM-UHFFFAOYSA-N 434.389 5.210 30 10 IKEE C=C(C)CCCC[C@H](OCCCN)c1cc(Br)c(Br)s1 2292764968 CEFSYANXVSERSU-ZDUSSCGKSA-N 425.230 5.816 30 10 IKEE Cc1cccc(C=C2SC(=Nc3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)c1 2293449712 NBDMVMSMZLRAIY-UHFFFAOYSA-N 437.568 6.323 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1cccc(Br)c1)C2=O)c1ccccc1F 2296844925 VQSLIPXJXCNSAX-UHFFFAOYSA-N 439.236 5.424 30 10 IKEE CCN1C(=O)C(=Cc2cccc(OCc3ccc(Cl)cc3)c2)SC1=Nc1ccccn1 2314541101 FEEPCHFXMHZGMJ-UHFFFAOYSA-N 449.963 5.938 30 10 IKEE CCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1c(OC)ccc2ccccc12 2318572038 YRXWMMLBLJOIOB-UHFFFAOYSA-N 427.533 5.048 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(C)n2N=Cc2ccc(Cl)cc2Cl)c1 2321075610 NVNLEDCORLJVDQ-UHFFFAOYSA-N 448.379 5.123 30 10 IKEE Cc1ccc(COc2cccc(C=Nn3c(S)nnc3Cc3ccc(C)cc3)c2)cc1 2321968305 KGNBPOLENPRJBH-UHFFFAOYSA-N 428.561 5.236 30 10 IKEE CCc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2cc(C)ccc2C)C4)cc1 2322170993 PJBVYERBWQZHNP-UHFFFAOYSA-N 439.555 6.143 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccco1)C3=O)CN(Cc1ccccc1OC(C)(C)C)CO2 2322274507 CMPOIIZJQBOLSL-UHFFFAOYSA-N 445.515 5.734 30 10 IKEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1ccccc1Cl)NCc1ccccc1 2322436843 PCHICTIJXZVNRX-UHFFFAOYSA-N 440.326 5.585 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)N[C@@H](C)c2ccccc2)c(C)c1C 2322810079 OGUKIYCZEBJNAW-NRFANRHFSA-N 443.543 5.464 30 10 IKEE CCCCCCCCCOc1ccc(C=NNc2ccc(C(=O)O)cn2)cc1OCC 2322942019 QCHWKKFOSSBFPB-UHFFFAOYSA-N 427.545 5.754 30 10 IKEE Cc1cc(OC(=O)Cc2ccc(Cl)c(Cl)c2)cc2c1C(=O)C(=Cc1ccccn1)O2 2323419877 NQHXVVRYXFJADK-UHFFFAOYSA-N 440.282 5.461 30 10 IKEE Cc1c(OC(=O)C(Cl)=Cc2ccccc2)ccc2c1OC(=CC=Cc1ccccc1)C2=O 2323444160 JHYIBLNFURPZKP-UHFFFAOYSA-N 442.898 6.353 30 10 IKEE CCCOc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2cccc(C)c2)C3=O)cc1 2323460190 GJJJERIOICCMQI-UHFFFAOYSA-N 440.495 6.019 30 10 IKEE CCOc1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2F)C3=O)cc1 2323511931 HSQHIRLMICGQRA-UHFFFAOYSA-N 444.458 5.768 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3C)c(OCC)c2)cc1 2323934238 BKXMBDARXQWEEK-UHFFFAOYSA-N 430.544 6.658 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OCC(=O)Nc1cc(C)cc(C)c1 2323985602 JUZQTYAUOXQXBV-UHFFFAOYSA-N 447.506 5.673 30 10 IKEE Cc1cc(O)c(CN2C[C@H](C)O[C@@H](C)C2)c2c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O2 2324017946 PAQZCJAOXXJMNL-KBPBESRZSA-N 448.346 5.233 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc(OC)c1OCc1ccccc1 2324381096 ILUITRJSBJCFTJ-UHFFFAOYSA-N 442.555 6.524 30 10 IKEE C=CCOc1ccc(C=CC(=O)c2cc(OC)c(Cl)cc2OC)cc1Br 2324406425 SRETZZSUJXYMCV-UHFFFAOYSA-N 437.717 5.581 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1C 2324450368 MLWUJEZHDUAHHM-UHFFFAOYSA-N 439.324 6.680 30 10 IKEE COc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1cccc(C)c1)C2=O 2324474115 PXBBXXNMBIVJNS-GOSISDBHSA-N 443.499 5.334 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)N[C@H](C)c4ccccc4)cc(C)c3C2=O)cc1 2325019703 BAMVSVZOCOFMPB-LJQANCHMSA-N 427.500 5.176 30 10 IKEE COc1ccc(C)cc1NC(=O)CCOc1ccc2c(c1)OC(=Cc1ccccc1C)C2=O 2325471164 YHQISUYGAHVBQB-UHFFFAOYSA-N 443.499 5.336 30 10 IKEE CCCOc1ccc(C=CC(=O)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1OCC 2325648512 SPHCNGPAUOVQDG-UHFFFAOYSA-N 431.916 5.066 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OC(=O)CCc1ccc(Cl)cc1 2325737736 GCKWRFCLDUXHTQ-UHFFFAOYSA-N 434.919 6.091 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2cccc(C=CC(=O)c3cc(C)ccc3OC)c2)c1 2325743354 YQYOKQSCZSGRKN-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE CCCSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1ccc(OC)cc1 2325965208 MZVJAVJMRJOCRK-UHFFFAOYSA-N 445.386 5.024 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1cccc(OC(C)C)c1 2326570206 FHEXKOOBWRQDNT-UHFFFAOYSA-N 446.979 5.985 30 10 IKEE Cc1ccccc1C=Nn1c(Cc2cccc3ccccc23)nnc1SCc1ccccc1 2327751708 ZQFKBDBFGLFQOK-UHFFFAOYSA-N 448.595 6.505 30 10 IKEE CCCCC1CCC(c2nnc(SC)n2N=Cc2ccc(Cl)cc2Cl)CC1 2328106774 MVJPUEVQEAANBH-UHFFFAOYSA-N 425.429 6.653 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1ccccc1[N+](=O)[O-] 2328179740 WFVKSYZWWYOPKK-UHFFFAOYSA-N 427.574 5.811 30 10 IKEE C=CCSc1nnc(CCc2ccccc2OC)n1N=Cc1ccccc1OC(C)C 2328696539 RGMVBISSLDPYMK-UHFFFAOYSA-N 436.581 5.019 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccc(F)cc3)n2N=Cc2cccnc2)cc1C 2328939820 RHFZJOIXFRWNAI-UHFFFAOYSA-N 445.567 5.389 30 10 IKEE Cc1ccccc1CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1ccc(F)cc1F 2330056416 FMZMTQXZCHIRCC-GOSISDBHSA-N 448.542 6.191 30 10 IKEE COc1cccc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccccc2)c1O 2330271379 SODDXKPJVPPISK-UHFFFAOYSA-N 436.581 5.290 30 10 IKEE Clc1ccc(CSc2nnc(-c3cccs3)n2N=Cc2ccco2)c(Cl)c1 2330609357 ZYVUPGYPAGLOFG-UHFFFAOYSA-N 435.361 6.081 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3ccccc3C)nnc2-c2ccccc2)cc1 2330635074 ANSMWIKEELWYTI-UHFFFAOYSA-N 442.588 6.217 30 10 IKEE O=C(Cc1cccs1)Oc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1[N+](=O)[O-] 2330664959 WRDXWMWCIBJSJA-UHFFFAOYSA-N 443.480 5.854 30 10 IKEE Cc1cncc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)CCCC4)cc2[N+](=O)[O-])c1 2330689971 PYZXKOUKYCEWQU-UHFFFAOYSA-N 442.471 5.292 30 10 IKEE COc1ccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3cccc(OC)c3)cc2)cc1 2330777089 PPWDHTMTILEOBE-UHFFFAOYSA-N 446.499 5.365 30 10 IKEE Cc1cc(CC(=O)Oc2ccc(C=CC(=O)c3ccccc3Cl)cc2Cl)ccc1F 2330913331 NXIJHCSZTGSMOI-UHFFFAOYSA-N 443.301 6.485 30 10 IKEE FC(F)(F)c1nnc(SCc2cccc3ccccc23)n1N=Cc1ccccc1Cl 2331146928 XMSLEYQSJJTLDL-UHFFFAOYSA-N 446.885 6.278 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3c(C)cccc3C)c(Cl)c2)c(C)c1 2331224261 ALJMRLVUOZVDGK-UHFFFAOYSA-N 448.946 6.454 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)C(C)C)c(Br)c2)cc1 2331305068 LYJYTSYWXQSFEL-UHFFFAOYSA-N 431.326 5.695 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1cccc(OC)c1O 2331344189 WHGNJROANYSQKS-UHFFFAOYSA-N 446.576 5.663 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(C=CC(=O)c2cc(C)ccc2OC)cc1OC 2331376705 KFQFIWYAXNVSNQ-UHFFFAOYSA-N 446.499 5.065 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(CC(C)C)n2N=Cc2ccc(C(C)C)cc2)cc1 2331442600 NWCLOIBOJJPRFE-UHFFFAOYSA-N 449.624 5.521 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)Cc1cc(C)ccc1C 2331449082 JZVVJCYXLIGXFM-UHFFFAOYSA-N 444.483 5.085 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CCC2)c1OC 2331539639 AOLSNRIXYRRGLP-UHFFFAOYSA-N 442.972 5.391 30 10 IKEE O=C(Cc1cc(Cl)ccc1Cl)Oc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1 2331555111 WZSGNTDFFAHDFE-UHFFFAOYSA-N 447.264 6.316 30 10 IKEE O=C(CSc1nnc(C2CC2)n1N=Cc1c(Cl)cccc1Cl)Nc1ccccc1 2331717610 QWPSJMPIASHWKJ-UHFFFAOYSA-N 446.363 5.075 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)CC1CCCCC1 2331779623 MFRZMMUYVAKNGH-UHFFFAOYSA-N 434.576 6.782 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1 2331859103 NGLMJPAENHRDRK-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE CN[C@@H](C#CC1(SC)CCC1)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2336251247 RGCOURDMYFCTPW-INIZCTEOSA-N 439.419 5.346 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2ccc(C#N)c(Br)c2F)C[C@@H]2CCC[C@@H]21 2360223510 QHRKHTMPXNQUMW-NOLJZWGESA-N 438.341 5.050 30 10 IKEE CC1(C)OB(/C=C/c2ccc(NCc3ccccc3OCc3ccccc3)nc2)OC1(C)C 2365102874 GRGYEHQXCKWVPB-WUKNDPDISA-N 442.368 5.917 30 10 IKEE C[C@@H](N(Cc1ccccc1)Cc1ccc(C#CCCO)c(Br)c1)C(C)(C)C 2377428110 YLYMHWNGIMRFAX-LJQANCHMSA-N 428.414 5.620 30 10 IKEE O=[N+]([O-])c1cccc(/C=N/n2cc(-c3ccccc3)nc2/N=C/c2cc(Cl)ccc2O)c1 8437364 QYSXCIYVRRBUSS-FBCBFZTJSA-N 445.866 5.450 30 10 IKEE Cc1cc(C)c(NS(=O)(=O)c2ccc(/N=C/c3c(Cl)cccc3Cl)cc2)c(C)c1 12583407 LRIVFFFJGZVJIK-DHRITJCHSA-N 447.387 6.470 30 10 IKEE O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@@H](c1ccc(Cl)cc1)n1c(nc3ccccc31)N2 19639412 IDPHRNQQUJRBPG-CRICUBBOSA-N 443.909 6.245 30 10 IKEE CCCCCSc1nc2n(n1)[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(CC(C)(C)CC1=O)N2 20850876 HCTIDTCDOZXMNO-IBGZPJMESA-N 441.557 5.127 30 10 IKEE CCc1ccccc1N/C(=N\C(=O)c1ccccc1F)NCCc1c[nH]c2ccccc12 32943377 YYTNLRGJPHXWEF-UHFFFAOYSA-N 428.511 5.310 30 10 IKEE CC(=N\OC(=O)C12CC3CC(CC(C3)C1)C2)/C(C)=N/OC(=O)C12CC3CC(CC(C3)C1)C2 33784113 DIGAZVHUSLZPCJ-DPCVLPDWSA-N 440.584 5.257 30 10 IKEE c1ccc2c(N=C(Nc3cccc4ccccc34)Nc3cccc4ccccc34)cccc2c1 34434744 IWCBQTHHLTZLNU-UHFFFAOYSA-N 437.546 8.358 30 10 IKEE C=CCN(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)c1ccc(OC)cc1 36105142 LZOAYXPPAJRDBR-UHFFFAOYSA-N 436.577 5.683 30 10 IKEE C=CCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccccc2)c1 39824891 GHUVHXXITAXBCE-RUZDIDTESA-N 437.495 5.412 30 10 IKEE COC(=O)c1ccccc1C(=O)O/N=C1\CC(C)(C)Cc2c1cc(C)n2-c1ccc(C)cc1 39853125 HKCBZJWVTKZPAE-WEMUOSSPSA-N 444.531 5.414 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)c(C)c2)[C@H]1c1ccc(Cl)cc1 40091716 LYDXQEQWKOXNRZ-JOCHJYFZSA-N 441.955 5.816 30 10 IKEE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/Nc2ccc([N+](=O)[O-])cc2)CCC3)c(C)c1 40814686 XAJHLJARFSUMMK-NHFJDJAPSA-N 432.480 5.518 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)c4cc5ccccc5o4)cc(C)c3C2=O)cc1 41352565 OIXZQAFCFDUTFE-QRVIBDJDSA-N 440.451 5.975 30 10 IKEE CCn1cc(/C=C2\Oc3c(cc4c(c3C)OCN(C3CCCCC3)C4)C2=O)c2ccccc21 41589070 RKCBJXAAXOURLE-QFEZKATASA-N 442.559 6.070 30 10 IKEE COc1cccc(/C(CSc2nc3ccccc3o2)=N\Nc2ccc([N+](=O)[O-])cc2)c1 59460530 UBDVRQYSORDJPJ-QQTULTPQSA-N 434.477 5.353 30 10 IKEE Cc1ccc(NC(=O)c2cnn3c2NC2=C(C(=O)CC(C)(C)C2)[C@H]3c2ccc(F)cc2)cc1 64873970 ICOLSOBTVNBSDX-HSZRJFAPSA-N 444.510 5.241 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(C)c3)cc2)cc1 100381252 DJDFCQREALRQNK-UHFFFAOYSA-N 444.575 6.849 30 10 IKEE Cc1nn(-c2nc(-c3ccccc3)cs2)c(O)c1[C@H](c1ccc(Cl)cc1)C(C#N)C#N 105573024 WPAPOSCLPSSEFF-OAQYLSRUSA-N 445.935 5.458 30 10 IKEE C=CCn1c(COc2ccccc2F)nnc1SCc1ccc(SC(F)F)cc1 109544099 ZAALZNCENCLYDN-UHFFFAOYSA-N 437.512 5.789 30 10 IKEE CCCCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1 109850938 QLGBUJPPIKAMCY-UHFFFAOYSA-N 449.617 5.952 30 10 IKEE C=CCn1c(C(=O)NC2=NN=C(c3ccccc3)CS2)c(C)c2cc(C(C)C)ccc21 169870314 LKCYXHZLQNQHHH-UHFFFAOYSA-N 430.577 5.496 30 10 IKEE CCN1C(=S)N[C@@H](c2c(OCc3ccccc3)ccc3ccccc23)C2=C1CCCC2=O 169933148 ZNJDSBSELKQVJG-SANMLTNESA-N 442.584 5.677 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3c(C)cc(C)cc3C)cs2)cc(Cl)c1OCC 169940744 MULAANWKRNVAGY-ROTLSHHCSA-N 444.000 6.632 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2nc3ccccc3[nH]2)c1 169973206 CLCNCMHCJZKCMF-JOCHJYFZSA-N 441.462 5.102 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccccc1 170052294 ORKVQVGVQPQWKM-OAQYLSRUSA-N 438.310 6.085 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccc(F)cc2)c1 170060667 VZEFSPWGCHDCOQ-JOCHJYFZSA-N 435.426 5.065 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2sccc2C)cc1 170105870 SMXBAFHLCWRPHR-NRFANRHFSA-N 449.528 5.247 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1ccc(OC)cc1 170116567 HSLLRFNMNYKXBN-HSZRJFAPSA-N 437.536 5.251 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2c2ccccc2)c1 170141813 XVRYPIVWKGMJCZ-DEOSSOPVSA-N 425.484 5.103 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cccc(OC(C)C)c1 170153247 MWSRCBVBXHDCQU-OSPHWJPCSA-N 449.547 5.176 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2cccnc2)cc1 170187460 WCUXAXYVNBZSDI-XMMPIXPASA-N 442.515 5.270 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1cccc(OCC)c1 170218523 DPGCQXNHSBHADD-MZNJEOGPSA-N 449.547 5.177 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2F)cc1 170248235 VBVUWMWLLXQKOX-HSZRJFAPSA-N 449.453 5.535 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2F)cc1Cl 170249097 QTLLLDXSKXIQKA-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2c[nH]c3ccccc23)c1 170256332 GKLLIFBTBSLNJW-DEOSSOPVSA-N 444.531 5.478 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1cccc(O)c1)c1ccc2c(c1)CCCC2 170256788 ULPBFUCFSJYZDV-QHCPKHFHSA-N 445.540 5.111 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccc(O)c2)cc1 170256887 CSYAHRJDJMPBFS-JOCHJYFZSA-N 449.528 5.019 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1c1cccc(F)c1 170270754 HPUOLODAXHZGCO-XMMPIXPASA-N 445.490 5.704 30 10 IKEE N#Cc1c(NC(=O)CCOc2ccccc2Cl)oc(-c2ccccc2)c1-c1ccccc1 170577094 XZMBSGDXXYSNGS-UHFFFAOYSA-N 442.902 6.546 30 10 IKEE C[C@H](Nc1ccc(Br)c(I)c1)c1ccc(C#N)cc1 311614073 GCKMZWUXOUTBBG-JTQLQIEISA-N 427.083 5.098 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(F)ccc2F)cc1 526707551 HSWYHXARCCOBDL-HSZRJFAPSA-N 447.481 6.045 30 10 IKEE Cc1ccc(COc2ccccc2/C=N\n2c(C)nnc2SCc2cccc(F)c2)cc1 526824593 KJRUBZSVNQXNLM-DICXZTSXSA-N 446.551 5.788 30 10 IKEE CCCOc1c(Cl)cc(/C=N\n2cnnc2SCc2cccc(F)c2)cc1OCC 526824854 XSLOETNMFVQVPA-ROTLSHHCSA-N 448.951 5.433 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1ccc(F)c(Cl)c1 698452251 PTMAJUNELMWVMM-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1ccc(C2CC2)cc1 698459364 RXMURCXKLYLVEF-HXUWFJFHSA-N 427.342 6.333 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@H](C#N)c1ccc(Cl)cc1Br 698865317 CZLSJBGONRBLJF-INIZCTEOSA-N 441.778 6.166 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 724092075 WUUSXLWCYOBLSG-KBMIEXCESA-N 443.588 5.714 30 10 IKEE C=CCOC(=O)/C=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1 1084399839 KOLGCPKUESVHBE-SREVYHEPSA-N 425.681 5.563 30 10 IKEE Cc1cccc(CSc2nc3ccc(N=Cc4ccc(Cl)cc4Cl)cc3s2)c1 1084408140 HQPPCGAVCVJHNF-UHFFFAOYSA-N 443.424 7.954 30 10 IKEE C[C@@H](CCc1ccccc1)/N=C(/Nc1cc(-c2ccccc2)ccc1O)N1CCOCC1 1088684140 BJZUMZHOVRMUKE-NRFANRHFSA-N 429.564 5.181 30 10 IKEE COc1cccc([C@H]2N(Cc3ccccc3)CC(=O)N2/N=C(/C)c2ccc(Cl)cc2)c1 1615166008 VMYZJPARAUDTQL-MYSISXQJSA-N 433.939 5.116 30 10 IKEE Oc1c(Cl)cc(Cl)cc1/C=N/C[C@@H]1CCC[C@@H]1/N=C/c1cc(Cl)cc(Cl)c1 1615949032 KSQUOYXSJBOHQJ-AUUWZQOISA-N 444.189 6.713 30 10 IKEE CCOC(=O)c1sc(NC(=O)c2ccc(-c3ccc(Cl)cc3)nc2C)c(C#N)c1C 1859757593 CCJQEAJCODOYJC-UHFFFAOYSA-N 439.924 5.381 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)[C@H](C)Oc1ccc(C(C)C)cc1 1861677080 JHOGMJYHLCFTCW-DHLKQENFSA-N 446.676 6.119 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)c1cc([N+](=O)[O-])ccc1Cl 1861835551 OGKXOOURXPWLQK-IBGZPJMESA-N 425.957 5.014 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1862431501 ISCAUOYCBOJIRU-JLCFBVMHSA-N 449.890 5.091 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc([N+](=O)[O-])c1 1862435696 CAWMPSCPZCIIAZ-IBGZPJMESA-N 428.872 5.017 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(Br)cc1 1862439803 PDBPUAJQLZEODO-QGZVFWFLSA-N 434.717 5.091 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(Cl)cc3)[C@H]2c2cccc(C)c2)cc1 1862475954 YGDXJGOGCUZXLT-DEOSSOPVSA-N 445.946 5.778 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(C(=O)OC)cc1 1862494376 LXLNSELUCHFWMC-HSZRJFAPSA-N 449.547 5.249 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2c(Cl)cccc2Cl)cc1 1862521988 WIXRAOCVPZMPLR-FQEVSTJZSA-N 448.346 5.771 30 10 IKEE CCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccccc1 1862587901 CATYVQXXXZYZFJ-XMMPIXPASA-N 435.564 6.111 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cccs2)cc1 1862676826 RYFQYBHQRPQQCT-NRFANRHFSA-N 437.492 5.064 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2CC(C)C)cc1 1862725985 WLHKLYKDUDENPQ-VWLOTQADSA-N 441.527 5.597 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1 1863027136 YGAAGLGXWQQKER-UHFFFAOYSA-N 441.918 5.534 30 10 IKEE Cc1cc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3cccc(Cl)c3C)C2=O)ccc1F 1863085578 UTCUPPFBCIHKNE-UHFFFAOYSA-N 445.881 5.364 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2OC)=C(c2ccc(F)cc2F)C1=O 1863312777 JRLGLYMWIMVHJO-UHFFFAOYSA-N 442.506 5.526 30 10 IKEE Cc1ccc([C@@H](CC(=O)N[C@H](C(=O)Nc2ccc(C#N)cc2)c2ccccc2)C(C)C)cc1 1866742202 DDNBHUOWCJDNLW-BDYUSTAISA-N 439.559 5.493 30 10 IKEE COCCc1nc(Nc2cccc(C#N)c2)cc(N2CCc3ccccc3[C@H]2C(C)C)n1 1868246254 FBPXIQBHHOFRPS-AREMUKBSSA-N 427.552 5.041 30 10 IKEE CCCN(CCCN(C)C)c1cc(Nc2cccc(C#N)c2)nc(-c2ccc(C)cc2)n1 1868311546 AELYJOFAKHCMDJ-UHFFFAOYSA-N 428.584 5.235 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)Nc2ccccc2OC)c(=O)cc1C 1870086633 YFDRVXSMKBLTDU-UHFFFAOYSA-N 428.573 5.324 30 10 IKEE C=CCOc1cn(CCc2nc(-c3ccc(OC)cc3)cs2)c(CSCC)cc1=O 1870246069 PZLUJCHSDQEBSN-UHFFFAOYSA-N 442.606 5.041 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(Cl)cc2)c(CN2CCCCC2)cc1=O 1870414407 OIUIDEQFYYYFDX-UHFFFAOYSA-N 431.020 5.885 30 10 IKEE C=CCOc1cn(CCc2ccc(OC)cc2)c(CNc2cccc(C(C)(C)C)c2)cc1=O 1870810787 RJKMGLHCBUHRMZ-UHFFFAOYSA-N 446.591 5.574 30 10 IKEE C=CCOc1cn(CCOc2ccc(OC)cc2)c(CNc2ccccc2C(C)C)cc1=O 1870813860 HOVQRIKYHDEJSC-UHFFFAOYSA-N 448.563 5.236 30 10 IKEE Cc1cc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2sccc2C)C3=O)ccc1[N+](=O)[O-] 1871373728 QIMWJEAKUFPHOT-ODLFYWEKSA-N 435.457 5.417 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc(OC(=O)c3cccc4ccccc34)c2C)C1=O 1871377933 MATRZRQCYRMAHO-HMAPJEAMSA-N 426.493 6.354 30 10 IKEE CCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871379960 OXKUHHOZTSAHOS-FQIHTKLKSA-N 440.495 5.937 30 10 IKEE COc1cccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4)cc(C)c3C2=O)c1 1871404240 KBICJWBTFPZVCY-PGECNJAHSA-N 429.472 5.026 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3cc(OCc4ccccc4C#N)cc(C)c3C2=O)c1 1871437206 LZKZNXUXKRQBHS-MSXFZWOLSA-N 427.456 5.079 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(N(C)C)cc1)C2=O 1871453805 RYPJWYJLRHMAJV-IWIPYMOSSA-N 442.515 5.003 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3c(c2C)O/C(=C\C=C\c2ccccc2)C3=O)c1C 1871459634 VGDNTMCIXNHGQK-KEWZQRQYSA-N 439.511 5.802 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(F)cc2)[nH]c(N(CCCC)CCCC)n1 1871515642 FPVFHKZSLYKPQW-UHFFFAOYSA-N 444.643 6.355 30 10 IKEE C=CCN([C@H](C(=O)Nc1cc(Cl)ccc1C)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872453987 PFDKWFUMHBBXIV-QFIPXVFZSA-N 449.016 5.105 30 10 IKEE CC(=O)Nc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 1872760706 WCZZVMMSLCPCOO-QFIPXVFZSA-N 425.513 5.341 30 10 IKEE CCCCCCCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(C)cc3)n2)cc1 1872776032 HABQQWGDDPCNGV-QHCPKHFHSA-N 432.589 6.958 30 10 IKEE CCc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2cc(Cl)ccc2OC)cs1 1872788109 DIGQJMJIVPLUHV-QGZVFWFLSA-N 426.925 5.290 30 10 IKEE CCCCCCCCCCNC1=C(c2cccc(OC)c2)C(=O)N(Cc2ccco2)C1=O 1873044024 WASGXBXFZTZNIS-UHFFFAOYSA-N 438.568 5.299 30 10 IKEE C=CCNC1=C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)N(CCCCCC)C1=O 1873136374 HNCALEXIHBDBJL-UHFFFAOYSA-N 448.407 5.160 30 10 IKEE Cc1cc(C)c(C2=C(Nc3ccccc3C#N)C(=O)N(Cc3cc(C)ccc3C)C2=O)c(C)c1 1873331391 ILMHUPIJBZFKRL-UHFFFAOYSA-N 449.554 5.493 30 10 IKEE CCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1/N=C/c1sccc1C 1874192503 BXZZFPSKABLBIQ-YDZHTSKRSA-N 449.045 5.924 30 10 IKEE CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccc(Cl)cc1 1874217600 QKYDAJSSADELGI-FOKLQQMPSA-N 435.380 5.775 30 10 IKEE Cc1ccc(C)c(OCc2nnc(SCc3ccccc3)n2/N=C/c2cccs2)c1C 1874255260 SBBOFXQACARUNM-AFUMVMLFSA-N 448.617 6.018 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1cccnc1 1874281037 NPUFBCSAPLVGIA-JVWAILMASA-N 447.995 5.595 30 10 IKEE CCCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc(C(C)(C)C)cc1 1874282518 MERUOAKWDUMFAS-YZSQISJMSA-N 441.044 6.399 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2/N=C/c2cc(OC)ccc2OC)CC1 1874287761 VVUBVBUCMGAHGW-KOEQRZSOSA-N 444.645 6.144 30 10 IKEE CCCSc1nnc(Cc2ccc(OCC)cc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874304027 DFDMFZKTHCPXLT-ZVHZXABRSA-N 449.407 5.959 30 10 IKEE Fc1cccc(/C=N/n2c(CCCOc3ccccc3)nnc2SCc2ccccc2)c1 1874316929 QWOSHPNVVJVHCP-OVVQPSECSA-N 446.551 5.603 30 10 IKEE Cc1cccc(OCc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccccc2)c1C 1874321650 CMLYFMGKOYPDIN-JFLMPSFJSA-N 446.551 5.788 30 10 IKEE Cc1ccc(CCc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccccn2)cc1C 1874330701 AHYKGYQCZSZDMM-LQKURTRISA-N 445.567 5.389 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2/N=C/c2ccccn2)cc1 1874355944 JNKIGGYTBLKOPY-JVWAILMASA-N 427.577 5.364 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2C)n1/N=C/c1c(F)cccc1Cl 1874362479 HMJXSIWCLOAFEZ-DHRITJCHSA-N 428.964 5.715 30 10 IKEE CCSc1nnc(COc2ccccc2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874385120 YXZHRNXIVILQFW-YZSQISJMSA-N 444.560 5.430 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(O)c(O)c1 1874394305 JFLZUARIXWNTFH-HEOQCTJZSA-N 448.523 5.155 30 10 IKEE COc1cccc(/C=N/n2c(SCc3cccc(F)c3)nnc2-c2cccs2)c1O 1874421287 DSZGPYASCGINQY-FSJBWODESA-N 440.525 5.034 30 10 IKEE CCCCCCOc1ccc(/C=N/n2c(SCC)nnc2-c2ccccc2)cc1OC 1874427615 SHXWBFBFTJKJBH-XIEYBQDHSA-N 438.597 5.907 30 10 IKEE Cc1ccc(CSc2nnc(C(F)(F)F)n2/N=C/c2cn(C)c3ccccc23)cc1 1874459078 VTCWEGIWWPCLGS-OPEKNORGSA-N 429.471 5.272 30 10 IKEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3c(C)cccc3C)nnc2-c2ccco2)c1 1874466587 QYCGVZBZBPYOJF-AFUMVMLFSA-N 445.548 5.076 30 10 IKEE O=[N+]([O-])c1ccccc1/C=N/n1c(SCc2cccc(Cl)c2)nnc1-c1ccco1 1874468575 NZQKCADJMDEBRN-WSDLNYQXSA-N 439.884 5.274 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc2c(c1)OCCO2 1874491504 VAABLMUOMFJSME-ZMOGYAJESA-N 442.972 5.076 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(SCc2ccccc2C)nnc1C(C)C 1874510546 SRDGOPVNVHFHER-CVKSISIWSA-N 430.577 6.046 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(C3CC3)n2/N=C/c2c(Cl)cccc2Cl)cc1 1874518267 LHXKTDCDJDJKAH-LSHDLFTRSA-N 448.335 5.545 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(Br)ccc2OC)cc1OCCC 1874576434 MSLVNWZIYJJNAH-RMKNXTFCSA-N 433.342 5.931 30 10 IKEE O=C(COc1ccccc1/C=C/C(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc(F)cc1 1874578680 BEWRPKRUMIWGKR-WUXMJOGZSA-N 444.289 6.046 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1cccc(OCC(=O)Nc2ccccc2)c1 1874600379 JFPLODQZPCFOBL-VAWYXSNFSA-N 435.907 5.571 30 10 IKEE CCOc1c(Br)cc(/C=C/C(=O)c2cccc(OC)c2)cc1Br 1874604952 BBVVOOVJWGDLEW-BQYQJAHWSA-N 440.131 5.515 30 10 IKEE Cc1cccc(COc2ccc(/C=C/C(=O)c3cccc(Cl)c3)cc2Br)c1 1874612272 MCTRNZXCXLVIDA-CSKARUKUSA-N 441.752 6.886 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OCc1c(F)cccc1Cl 1874614731 WSDZGVXPRCBJKP-WUXMJOGZSA-N 445.317 7.006 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1Cl 1874624296 VVFUJJFCPBTDAT-RIYZIHGNSA-N 447.962 6.685 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2cc(OC)c(OCCO)c(OC)c2)cc1 1874625451 FZQRQAHLVJHQCC-NTEUORMPSA-N 442.552 5.320 30 10 IKEE Cc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(Cl)cc3Cl)c2)cc1 1874695267 SEMZEXGZPSPSID-FMIVXFBMSA-N 425.311 6.346 30 10 IKEE O=C(Cc1ccc(F)cc1F)Oc1cccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1 1874702738 HFKIASROASDEKX-RUDMXATFSA-N 447.264 6.316 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc(OCC(C)C)cc3)c2)c1 1874703618 YEGFPJHIUOSTRA-XNTDXEJSSA-N 428.528 6.454 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc(OCC(C)C)cc3)c2)c(C)c1 1874716098 AOVAPDDYTAUYIG-NTEUORMPSA-N 442.555 6.762 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)c(F)c3)c(Cl)c2)cc1C 1875108190 CFOBQAQNBDPCCT-FPYGCLRLSA-N 442.845 6.051 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc3ccccc23)cc([N+](=O)[O-])c1OC(=O)C1CC1 1875155140 ODRZSJHDGUUJCY-JLHYYAGUSA-N 431.444 5.358 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OCC 1875156642 HBLDAGRXMBCGBF-NTEUORMPSA-N 428.956 6.854 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OCC 1875158945 UPZKOYNXDFVQLR-GZTJUZNOSA-N 426.528 6.777 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccccn2)cc1 1875167877 MXBDHMOCYLDXTP-JXMROGBWSA-N 428.271 5.512 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc([N+](=O)[O-])c1OC(=O)C1CC1 1875169213 KOWVEDRTGSSAEB-JXMROGBWSA-N 437.492 5.439 30 10 IKEE CCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2cc(OCC)ccc2OCC)cc1OC 1875171844 PPNOSLCHNOCKCO-ZRDIBKRKSA-N 442.508 5.103 30 10 IKEE C=CCn1c(C(=O)N(CCCC)CCCC)cc2c(NCCc3ccc(C)cc3)ncnc21 1875228055 XMWMCXVVPIAWHM-UHFFFAOYSA-N 447.627 5.623 30 10 IKEE C=CCn1c(C(=O)N(CCC)CCC)cc2c(NCCCCCCCCCC)ncnc21 1875229148 QPHIMRNLSOQEBN-UHFFFAOYSA-N 441.664 6.432 30 10 IKEE N#Cc1ccc(C(=O)NCCSc2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)cc1F 1891793043 KIKMEXXYTOEZQJ-UHFFFAOYSA-N 449.938 6.021 30 10 IKEE C#CCCN(CC(C)(C)C)C(=O)[C@@H](CC)NC(=O)OCC1c2ccccc2-c2ccccc21 1901530916 MZWDXVNFFKIMMQ-RUZDIDTESA-N 446.591 5.202 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC[C@@H](CCNC(=O)OC(C)(C)C)C(C)(C)C)NC 1922065142 KOPOHAIDFSIYCS-GOTSBHOMSA-N 432.649 5.705 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(C(C)C)CCN(C(=O)OC(C)(C)C)C1 1922090595 AOBUWWMIRKBSLW-OZXSUGGESA-N 430.633 5.411 30 10 IKEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1999929752 DHVJWQOQVQTHDT-SBUREZEXSA-N 449.617 5.415 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)NCC 2015978074 NSDUWVPVKMSCLL-FIXSFTCYSA-N 430.633 5.459 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@@H]3CC[C@@H]32)cc1 2057586135 PBRXVVQRLMWZQZ-DFIYOIEZSA-N 441.572 5.418 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@@H](C#N)[C@]1(C)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2078865860 MIAVDBLIQGXKOD-DFBJGRDBSA-N 443.588 5.746 30 10 IKEE Fc1ccc(C(F)(F)F)cc1Cn1nc(C2CCC2)c(C(F)(F)F)c1Br 2079823114 UWFJYNLTTMLLDA-UHFFFAOYSA-N 445.176 6.138 30 10 IKEE C[C@@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)(F)F)c(C#N)c1Br 2079958205 SRHAOPOSQSVBBK-LURJTMIESA-N 430.121 5.303 30 10 IKEE CC(C)c1ccc([C@@H](n2nc(C(F)(F)F)c(C=NO)c2Br)C(C)(C)C)cc1 2079982696 AOCVOMYEHFJKDG-MRXNPFEDSA-N 446.311 6.231 30 10 IKEE CCOc1ccc([C@H](n2nc(C(F)(F)F)c(C#N)c2Br)C(C)(C)C)cc1 2080107584 PRQYNUKZDFCIIG-HNNXBMFYSA-N 430.268 5.570 30 10 IKEE N#Cc1c(C2CCCC2)nn(Cc2cccc(Br)c2F)c1Br 2080295035 JJSBCRJQBMQWJS-UHFFFAOYSA-N 427.115 5.125 30 10 IKEE N#C[C@H](C(=O)CSc1ccccn1)c1nc(-c2ccccc2)c(-c2ccccc2)s1 2084272955 DMDCWEOZXDLHAW-LJQANCHMSA-N 427.554 5.841 30 10 IKEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNc2cc(Br)ccc2C#N)cc1 2162317201 YFIAXGQUQLRAMW-CQSZACIVSA-N 430.346 5.519 30 10 IKEE C[C@H]1[C@H](Nc2ccc(C#N)c(Br)c2F)C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2162387010 IZEQNUPCBMMUNG-KSZJFAHPSA-N 438.341 5.048 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCC[C@@H]2Nc2ccc(C#N)cc2Br)CC1 2162397428 IPRFEAREXSFSPX-SFHVURJKSA-N 434.378 5.302 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)c1cc(Br)c(Cl)s1 2235717338 BDDVWDPCJRYZFX-ZDUSSCGKSA-N 433.596 5.629 30 10 IKEE CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)[C@H](O)C#Cc1ccccc1Br 2235731378 LTPGYOMTSDEMMR-WOJBJXKFSA-N 436.390 5.025 30 10 IKEE CC[C@H](C)N(Cc1ccccc1)C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1Cl 2247841349 VJJYHPRGIAIFMI-KRWDZBQOSA-N 427.781 5.080 30 10 IKEE CN[C@@H](C#CC1CCCC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2260938428 VCANDCAMMCGGCO-MHZLTWQESA-N 425.572 6.299 30 10 IKEE CN[C@@H](C#CC1CCCCC1)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2260990358 PKZKJHPGYMPAFJ-RPLLCQBOSA-N 440.628 5.002 30 10 IKEE CC(C)(C)OC(=O)NCc1c(Cl)cccc1Nc1cc(Br)cc(C#N)c1 2268621456 NVAWQDMNQLJJRB-UHFFFAOYSA-N 436.737 5.742 30 10 IKEE Cc1ccc([C@@H](N)C#Cc2ccc(Br)cc2)c(NC(=O)OC(C)(C)C)c1C 2296297184 WHYHDNKRANLTKU-IBGZPJMESA-N 429.358 5.464 30 10 IKEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@H](CCC(C)(C)C)NC(=O)OC(C)(C)C 2296297982 FKKSNLFGMKLUGO-OALUTQOASA-N 437.422 5.108 30 10 IKEE C=CCN1C(=O)C(=C2Sc3ccccc3N2C)SC1=Nc1ccc2ccccc2c1 2297707844 RJLHKQGDRKBFGG-UHFFFAOYSA-N 429.570 6.000 30 10 IKEE Cc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(Cc1ccc(Cl)cc1)C3 2321958310 MUGXXIWFSAYQIQ-UHFFFAOYSA-N 431.919 5.925 30 10 IKEE CCn1cc(C=C2Oc3c(ccc4c3CN(C3CCCCCC3)CO4)C2=O)c2ccccc21 2322079791 SKCPZPFLBKWFJO-UHFFFAOYSA-N 442.559 6.152 30 10 IKEE COc1cccc(C=CC(=O)c2cc(C)ccc2C)c1OCc1ccc(Cl)cc1Cl 2322617591 GMYZEHWOEIMKGJ-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2cc(Br)ccc2OC)cc1 2322758672 XBDATELKCURNSC-UHFFFAOYSA-N 431.370 6.703 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2cccc(OC)c2OCc2ccccc2)cc1Cl 2322884570 SVEZRBUOAZBHMJ-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE CCCCCCCCCOc1ccc(C=NNc2ccc(C)cc2)cc1Br 2322927131 LLSMQDVOCAWBFA-UHFFFAOYSA-N 431.418 7.333 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(Cl)c2)C3=O)cc1[N+](=O)[O-] 2323332271 PKGRPEPSGZMGLN-UHFFFAOYSA-N 449.846 5.700 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OCc1cccc(Cl)c1 2323437714 PQJNBUWRFQIECG-UHFFFAOYSA-N 432.947 6.703 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(OC)c2)cc(OC)c1OCc1cccc(C)c1 2323510897 YIMBGJHGTZMAOT-UHFFFAOYSA-N 428.528 6.216 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2323828927 HHNVNQHXHNRMAL-UHFFFAOYSA-N 448.902 6.273 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(C)cc3)cc2OCC)o1 2323914990 OXGJGKZCNAYVAS-UHFFFAOYSA-N 434.488 5.639 30 10 IKEE Cc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1cccc(Cl)c1)C2=O 2324412978 SFGQGXUXUZVKNI-QGZVFWFLSA-N 447.918 5.979 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCCCCOc3ccccc3C)ccc2C1=O 2324595431 DEYPCCDZNNWIIC-UHFFFAOYSA-N 444.527 6.248 30 10 IKEE CCOCCOC(=O)[C@@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccc(C(C)C)cc1)C2=O 2325075977 VSQPRNGZLXBKQK-GOSISDBHSA-N 438.520 5.082 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1sccc1C 2325563100 WDWSFNPEWRGTHI-UHFFFAOYSA-N 425.410 6.082 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(C(C)(C)C)cc1 2325572174 WOIPHTLRZOMGON-UHFFFAOYSA-N 445.007 6.495 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(Cl)cc3)c2)cc1 2325711208 RVYOUCIAKRJZGZ-UHFFFAOYSA-N 432.947 6.727 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3c(F)cccc3Cl)c2)cc1 2325739562 YDWMQRCXPMXNLJ-UHFFFAOYSA-N 438.882 6.383 30 10 IKEE COc1ccc(C=CC(=O)c2cccc3ccccc23)cc1OC(=O)c1ccccc1Cl 2325749063 VKCADPVVCJVXMN-UHFFFAOYSA-N 442.898 6.617 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(OC(C)=O)cc3)c2)c(C)c1C 2325755638 SSXYXRXFQLRHEN-UHFFFAOYSA-N 444.483 5.353 30 10 IKEE COc1cccc(OCC(=O)Oc2cccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)c2)c1 2325756986 METWVJGNNAOCFF-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cccc(OC(=O)[C@@H](C)c2ccccc2)c1 2325763566 KARZAXATLOOTQS-SFHVURJKSA-N 434.919 6.262 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1Cl 2325768685 VADAWISCAIOODD-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE CCCCOc1cccc(C=Nn2c(CCC)nnc2SCc2cccc(Cl)c2)c1 2326475003 OVKYNKZRXDXNER-UHFFFAOYSA-N 443.016 6.237 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1c[nH]c2ccccc12 2326546413 QZWDNFZPNWTCBO-UHFFFAOYSA-N 439.972 5.685 30 10 IKEE COc1cccc(CCc2nnc(SCc3ccccc3)n2N=Cc2ccc(F)cc2)c1 2328641165 CTTDBCACEHKFBU-UHFFFAOYSA-N 446.551 5.386 30 10 IKEE C=CCSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1c(F)cccc1Cl 2328961746 QMXLAQGJBFNKHW-UHFFFAOYSA-N 428.964 5.633 30 10 IKEE CCCSc1nnc(Cc2ccc(OC)cc2)n1N=Cc1c(Cl)cccc1Cl 2329288331 UMHCKDOXLJMIHX-UHFFFAOYSA-N 435.380 5.569 30 10 IKEE Cc1ccc(O)c(C=Nn2c(COc3ccccc3)nnc2SCc2ccccc2C)c1 2329879893 QIRXZEVXMLUFEA-UHFFFAOYSA-N 444.560 5.354 30 10 IKEE C=C(C)CSc1nnc(Cc2cccs2)n1N=Cc1cccc(Br)c1 2330389911 CDMUCLDWISSQQU-UHFFFAOYSA-N 433.400 5.243 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3cccs3)n2N=Cc2cccc([N+](=O)[O-])c2)c1 2330584042 UJVDXKOWYFQHKV-UHFFFAOYSA-N 449.561 5.706 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3)c([N+](=O)[O-])c2)cc1 2330750176 XSRJXFOHJHHUCN-UHFFFAOYSA-N 429.472 5.592 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(CC(C)(C)C)n1N=Cc1ccc(C)cc1 2330810511 JAWRABGFXZUWHZ-UHFFFAOYSA-N 449.624 5.351 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(SCc3ccccc3F)nnc2C2CCCC2)cc1 2331071732 HPJGJUYJBVGRRQ-UHFFFAOYSA-N 436.600 6.547 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CCCC2)cc1 2331076198 PDWGPVCLUCWTCN-UHFFFAOYSA-N 426.973 5.772 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2OC)cc1 2331232877 SXQGMPJMBXWVPZ-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)C(F)(F)F)c(Br)c2)ccc1F 2331337707 UCYKDCDDSXPKDU-UHFFFAOYSA-N 431.179 5.260 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)cc(Cl)c1OC(=O)CC(C)(C)C 2331397200 UNDHIFRJOXNDHV-UHFFFAOYSA-N 444.911 5.358 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC(=O)CC(C)(C)C 2331429660 PYFUBGBEUCBPBV-UHFFFAOYSA-N 448.603 6.959 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1Br 2331473688 UQGDOLPPDMQVFZ-UHFFFAOYSA-N 437.333 6.594 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)C3CCCC3)cc2)cc1 2331541929 VFUGAVWIPBEKTI-UHFFFAOYSA-N 434.576 7.028 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cc(OC)c(OC(=O)C(C)C)c(OC)c2)cc1C(C)C 2331574986 LIQGWDBRMAJUOX-UHFFFAOYSA-N 440.536 5.602 30 10 IKEE CCCCOc1ccc(C=Nn2c(COC)nnc2SCc2ccc(Cl)cc2)cc1 2331595699 FOXBQWQVZKKPFR-UHFFFAOYSA-N 444.988 5.431 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)c(C)c3)c(Cl)c2)c(C)c1C 2331613383 FYHNAWRCAWKKDH-UHFFFAOYSA-N 448.946 6.698 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2cccc(C)c2)c([N+](=O)[O-])c1 2331665265 LQHTXGBZSSOZSJ-UHFFFAOYSA-N 445.471 5.644 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)c1ccc(C)cc1 2331801403 IBEGHLKNUDSAJE-UHFFFAOYSA-N 442.555 6.725 30 10 IKEE CC1(C)OB(C=Cc2ccc(NC[C@H]3CCCN(Cc4ccccc4)C3)nc2)OC1(C)C 2339544577 JGKOVIUDWRYYRV-HSZRJFAPSA-N 433.405 5.050 30 10 IKEE C[C@H](CNC(=O)OC(C)(C)C)C[C@@H](C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339595768 DOQOEEQMCWXNJR-ZWKOTPCHSA-N 446.397 5.044 30 10 IKEE CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339597365 QEKKSUSBKXDKRO-RTBURBONSA-N 446.397 5.187 30 10 IKEE CC1(C)CN(Cc2ccccc2)C[C@@H]1CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2365061411 UNCGGWNQLQNDPS-QHCPKHFHSA-N 447.432 5.296 30 10 IKEE C=CCC[C@H](C)[C@@H](NCCC)[C@H](O)c1sc(Cl)cc1I 2366650610 PFEURTKBEMBJAF-GDLCADMTSA-N 427.779 5.010 30 10 IKEE Cc1cccc2c1N(c1cc(Br)cc(C#N)c1)CCN2C(=O)OC(C)(C)C 2381007597 JBNGBWRXEWTAHH-UHFFFAOYSA-N 428.330 5.522 30 10 IKEE C[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(F)cc1)[C@H]2c1ccccc1 17094852 CNHLQALQXYBQFW-QUGAMOGWSA-N 426.491 5.892 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)nn1[C@@H]2c1cccc(F)c1 17098973 SJVINZKXQOMLQQ-OAQYLSRUSA-N 434.540 5.368 30 10 IKEE N/C(=N\OC(=O)/C=C/c1ccc(Cl)cc1Cl)c1ccc(OCc2ccccc2)cc1 20522785 YDXPYGOMGJZSBG-UKTHLTGXSA-N 441.314 5.449 30 10 IKEE Clc1ccc(COc2ccccc2/C=N/Nc2n[nH]c(SC3CCCC3)n2)cc1 21084980 GHGWCRQUAHSHKK-YDZHTSKRSA-N 427.961 5.518 30 10 IKEE CCOc1cccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(Cl)c(Cl)c2)C3)c1 21223299 XFPRGJWLDCEMJE-NVXWUHKLSA-N 430.331 5.396 30 10 IKEE CCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1Cl 21231275 BRDHMIQJXFOZFQ-XHCCPWGMSA-N 444.962 6.718 30 10 IKEE CCCN(CCC)C(=O)CCc1ccc(-c2ccc(C)cc2C)n1-c1ccc(CC#N)cc1 23426338 PFVUPZXOZNILEE-UHFFFAOYSA-N 441.619 6.408 30 10 IKEE C=CCNC(=S)N1N=C2/C(=C\c3ccc(OC)cc3)CCC[C@@H]2[C@@H]1c1ccc(OC)cc1 33937491 KUDIFHJEAAEZSH-DZWOGOMFSA-N 447.604 5.361 30 10 IKEE O=C(/C=C\c1ccc(Cl)cc1Cl)c1ccc(OC(=O)c2ccccc2Cl)cc1 35273970 GNQIEBDZKQFXEW-WQLSENKSSA-N 431.702 6.762 30 10 IKEE C=CCn1c(SCc2ccc(Br)cc2)nnc1-c1cc(OC)cc(OC)c1 35847684 PTKRHLAWAPDAST-UHFFFAOYSA-N 446.370 5.203 30 10 IKEE C=C[C@@](C)(O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(C)cc1)CC1CC1 36346831 IYZFTIUBGSOPEM-MUUNZHRXSA-N 445.607 5.684 30 10 IKEE O=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cccc(NC(=O)c2ccco2)c1 39850960 NMCWFBMGVGZEON-PKNBQFBNSA-N 428.400 5.596 30 10 IKEE Cc1nnc(/N=C2/S/C(=C\c3ccc(C(C)C)cc3)C(=O)N2C2CCCCC2)s1 39866535 OYDTZXIKFVBEFM-ZQRXGZGKSA-N 426.611 5.907 30 10 IKEE CCCCCOc1c(Cl)cc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc1Cl 39868982 LZRXCGALRSZASD-UHFFFAOYSA-N 437.392 6.627 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(C(C)(C)C)cc1)C3=O)CN(Cc1cccs1)CO2 41588111 FKBFMKBEDSGRJS-FMCGGJTJSA-N 445.584 6.322 30 10 IKEE C/N=C1\S/C(=C\c2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)N1C 59105098 KDAUBMHQGSRBQR-KXKATKOTSA-N 444.387 5.837 30 10 IKEE CCOCCC/N=C(\Nc1ccc(C(=O)O)cc1)N[C@H](C)CC12CC3CC(CC(C3)C1)C2 65304871 PYTBGZISYBCEOL-DKERFCRFSA-N 441.616 5.164 30 10 IKEE C=C(C)COc1ccccc1NC(=O)CNc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1 66109106 VXKGLHQOBBEKNV-HXUWFJFHSA-N 443.547 5.183 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)c(OCC)c2)SC1=S 83293108 RUOMFRRPCVAZIP-MOSHPQCFSA-N 429.538 5.191 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 100353737 KERKURAQSTYQPD-ZYLNGJIFSA-N 440.971 7.424 30 10 IKEE CCCCCCCCCCCCCC(=O)Nc1ccc(C(=O)N(C)c2ccccc2)cc1 100442496 JHMJISWHQUHSTN-UHFFFAOYSA-N 436.640 7.603 30 10 IKEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1Cl 107879513 ZJOAUVMNKKLGSL-FQEVSTJZSA-N 446.894 5.730 30 10 IKEE CC(C)(C#N)CCCOc1c(Br)cc(Br)cc1Br 114949316 PZVLOQFBLQVQSN-UHFFFAOYSA-N 439.973 5.683 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1cccc(Br)c1 135879815 CIQHFRVITLCVQW-UUYOSTAYSA-N 449.805 5.821 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2ccc(O)cc2)cc1 169959273 KKUOJYZOMREMSZ-DEOSSOPVSA-N 427.500 5.354 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2cccc(Cl)c2)c1 169970133 IMBXYFPDDBGYAE-OAQYLSRUSA-N 448.862 5.340 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@@H]2c2cccs2)cc1C 169986103 IXFIRNWOEDGPDJ-XMMPIXPASA-N 439.536 6.301 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@H]2c2ccccn2)s1 169992461 RKHCVBJEVJETGL-FQEVSTJZSA-N 447.560 5.235 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2cccnc2)cc1C 170002941 XLPHVGLOMKAURW-DEOSSOPVSA-N 442.515 5.305 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(F)cc2)cc1 170061748 VJAYWRRWCMBHDH-JOCHJYFZSA-N 446.434 5.079 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccccc2F)cc1C 170069966 CMHSROAOZUDCIS-XMMPIXPASA-N 441.458 5.972 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(OC)cc1 170116616 SXDHGEZMYZPVJL-DEOSSOPVSA-N 433.548 5.343 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(N(C)C)cc1 170128963 PHNMGRWLGFHBOJ-HXUWFJFHSA-N 447.362 5.438 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccc2)ccc1OC(C)C 170222844 HPBFOVHAXMUXPD-XMMPIXPASA-N 445.490 5.704 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccco2)c1 170279622 JWXZHDORCNVELQ-LJQANCHMSA-N 443.908 5.172 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2ccco2)c(C)c1 170284187 CVQZSLAIEAKPGB-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3cc(C(C)(C)C)ccc3C)[C@@H]2c2ccco2)c1 170285718 ZEGBQDWXTXERKP-DEOSSOPVSA-N 443.543 6.285 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(C4CCCCC4)[C@@H]3c3ccc(C)o3)oc12 170308355 UHKKJVITWOBRPX-OAQYLSRUSA-N 435.476 5.254 30 10 IKEE CCN(CC)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cccc(O)c2)cc1 170384935 QZGNRGXANRTKRF-JOCHJYFZSA-N 448.544 5.083 30 10 IKEE Cc1cccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2nc3cc(F)c(F)cc3s2)c1 170461577 VIGMEUBAYZEXPQ-SFHVURJKSA-N 442.487 5.398 30 10 IKEE Cc1nc(Nc2c(C#N)cnn2-c2cc(C)c3cccc(C)c3n2)cc(-c2ccccc2)n1 170547552 XLAGXTUDKYXRKH-UHFFFAOYSA-N 431.503 5.418 30 10 IKEE CC(=O)C1=C(OB(F)F)C=C(/C=C/c2cccc(Cl)c2)C[C@@H]1c1ccc(Cl)cc1 195815635 KVTGWTNRUPEWOV-RRFGBZISSA-N 433.090 6.904 30 10 IKEE CSc1nc(NCc2cccc(C(F)(F)F)c2)c(C#N)c(-c2cccc(Cl)c2)n1 243404402 MOXMXLJJJYNMSE-UHFFFAOYSA-N 434.874 6.021 30 10 IKEE O=[N+]([O-])c1cccc(/C=C/C=Nc2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)c1 255004129 PQMQLKQXFSQCGQ-NHIQZFGHSA-N 438.270 7.126 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1Nc1cc(Br)ccc1C#N 312185522 IAFYFFBKFJZKKM-ZIFCJYIRSA-N 434.378 5.301 30 10 IKEE Cc1c([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2ccc(C#N)cc2)c2ccccc2n1C 526488980 OIHJITBNUCGUPT-HSZRJFAPSA-N 425.513 5.477 30 10 IKEE Cc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 526608973 QTIHJSJFJYVWNF-QFIPXVFZSA-N 445.862 5.486 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1/N=C\c1cc(Br)ccc1O 526802380 FNAIDACFLBACQW-JJFYIABZSA-N 449.349 5.012 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1c(C)n(C)c2ccccc12 526818920 HHOHNQWLDLEQQF-YSMPRRRNSA-N 431.609 5.822 30 10 IKEE Oc1ccc(Br)cc1/C=N\n1cnnc1SCc1cccc2ccccc12 526820626 WZVPHBSBHKVXJU-KSEXSDGBSA-N 439.338 5.074 30 10 IKEE CCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1c(O)ccc2ccccc12 526822064 FDFPMMQKLSIYEP-YSMPRRRNSA-N 427.533 5.136 30 10 IKEE CCOc1c(/C=N\n2cnnc2SCc2ccc(Cl)cc2Cl)cccc1OC 526823787 STRBWUGKNZTIEG-RMORIDSASA-N 437.352 5.167 30 10 IKEE CCCCOc1ccc(/C=N\n2c(CCCC)nnc2SCc2cccc(F)c2)cc1 526825379 DVDIFUGTUJBEAM-ONUIUJJFSA-N 440.588 6.113 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)NC2CCN(C(=O)N[C@H]3CCCC[C@@H]3C)CC2)c1 585910082 CJDDLNFQANKMGW-CVDCTZTESA-N 440.632 5.007 30 10 IKEE C=CCCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1cc(C)c(C)cc1OC 586214897 POBXJKBVNSAKIX-UHFFFAOYSA-N 437.561 5.876 30 10 IKEE O=C1c2ccc(Cl)c3c(Cl)ccc(c23)C(=O)N1N=Cc1ccc(Cl)cc1Cl 1084423459 FNHIIYBDLAHDNZ-UHFFFAOYSA-N 438.097 6.084 30 10 IKEE CCOC(=O)C(=NNc1ccccc1)Sc1ncc(-c2ccccc2)n1-c1ccccc1 1084472937 MOUPBIGROWHPBY-UHFFFAOYSA-N 442.544 5.620 30 10 IKEE Cc1cccc(N=C2S/C(=C/c3cccc4ccccc34)C(=O)N2C2CCCCC2)n1 1772739563 WXGSXAXNPOVRMF-ULHXHRCFSA-N 427.573 6.480 30 10 IKEE Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1C(=NNc1ccc(F)cc1)CCC2 1772749393 MUHIXYSHDGDZPB-UHFFFAOYSA-N 427.479 6.285 30 10 IKEE CC(C)Cc1c(Cl)c(C(=O)Nc2ccccc2C#N)nn1Cc1ccc(Cl)cc1 1859378649 KFEAYGHZEOSZGR-UHFFFAOYSA-N 427.335 5.561 30 10 IKEE N#Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)n(-c3ccccc3)n2)cc1 1859389628 LTEDHFZEMZZYBQ-UHFFFAOYSA-N 433.298 5.970 30 10 IKEE N#Cc1cccc(C(=O)Oc2ccc(C3=CCN(C(=O)OCc4ccccc4)CC3)cc2)c1 1860685283 BRFOFIJLBZKEFB-UHFFFAOYSA-N 438.483 5.203 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)c1ccc(OC)cc1OC)[C@H](C)CC 1861063002 GAUDKPJBCJZISW-AUSIDOKSSA-N 434.621 5.105 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(O)cc2)cc1 1862389508 HJWUFKRIDPIDDK-HSZRJFAPSA-N 447.556 5.575 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(C)cc1 1862429404 MDRVGZZRPHYORB-HSZRJFAPSA-N 439.983 6.587 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCc3ccccc3)[C@@H]2c2cccc(C)c2)cc1 1862475156 FKQWHFGLPXRZCY-AREMUKBSSA-N 439.555 5.905 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@@H]2c2ccccc2C)ccc1F 1862507624 QBIMXWKKRRJGMB-HSZRJFAPSA-N 449.909 5.874 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2ccccc2)cc1 1862515724 VCBDLPJYSGGZMI-HSZRJFAPSA-N 447.556 5.358 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccccc1 1862543933 RTJWNQMUDIAMLJ-VWLOTQADSA-N 447.575 5.351 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1c(Cl)cccc1Cl 1862633302 JLNIJDFCSADTGT-IBGZPJMESA-N 448.302 5.101 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc(OC)c1 1862652484 HYPNIFOHABDBJS-RUZDIDTESA-N 443.543 6.007 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc(OC)c1 1862672559 CXFYMKBAZKLCNG-QHCPKHFHSA-N 439.527 5.773 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(O)c2)cc1 1862674306 LVMOISQRLBDPPA-FYSMJZIKSA-N 445.490 5.433 30 10 IKEE CCOc1cc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2[C@@H](C)CC)ccc1O 1862716244 BYOIHXUJZFAWLN-FYSMJZIKSA-N 445.515 5.321 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 1862736540 JRMKFVNFIZEKJF-UGKGYDQZSA-N 436.508 5.532 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccccc2OC)C1=O 1863430443 YMXLNXOOVJJWPS-FQEVSTJZSA-N 431.536 5.118 30 10 IKEE C=CCN1C(=O)C(Nc2cc(C(F)(F)F)ccc2Cl)=C(c2ccccc2Cl)C1=O 1863452899 YAQOUCRRCMJZHB-UHFFFAOYSA-N 441.236 5.390 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccccc2F)=C(c2ccc(C)c(C)c2)C1=O 1863607788 MXZQBUAPNUHDTC-UHFFFAOYSA-N 436.571 5.673 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)NC1(c2ccc(F)cc2)CCC1 1866030035 VCBAXKPYIOZETK-UHFFFAOYSA-N 431.680 8.583 30 10 IKEE CC(C)(C)c1ccc(-c2nc(Nc3ccccc3C#N)cc(N3CCOCC3(C)C)n2)cc1 1868549690 JKTZWDMXKPTULG-UHFFFAOYSA-N 441.579 5.672 30 10 IKEE COc1ccc(/C=C/C(=O)Nc2c(C#N)nnn2-c2cc(C(C)C)cc(C(C)C)c2)cc1 1870140785 JYYVNMDCOCXCJP-DHZHZOJOSA-N 429.524 5.046 30 10 IKEE CCCCCCCCCCn1cc(OC)c(=O)cc1CSCc1nc2ccccc2[nH]1 1870296980 BPAKAQPXICWUPT-UHFFFAOYSA-N 441.641 6.307 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCCc2ccccc2)cn1Cc1ccccc1 1870687973 JRJKXZPCIHCRRB-UHFFFAOYSA-N 428.576 5.082 30 10 IKEE C=CCOc1cn(CCC(C)C)c(CNc2ccc(OCc3ccccc3)cc2)cc1=O 1870808921 HDUMKOVASFSEQA-UHFFFAOYSA-N 432.564 5.650 30 10 IKEE C=CCOc1cn(CCCCCC)c(CNc2ccc(N(CC)CC)cc2C)cc1=O 1870813936 MCGALFIZRSKSTE-UHFFFAOYSA-N 425.617 5.760 30 10 IKEE Cc1c(Cl)cccc1NCc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCC(C)C 1871255278 SUGQJNMPANYDEC-UHFFFAOYSA-N 449.982 5.919 30 10 IKEE CCCCCCCCCCN=c1nc2c(cnn2C)c(Nc2ccc(C)c(Cl)c2)[nH]1 1871298919 OEHXKFUBSVNHJY-UHFFFAOYSA-N 429.012 6.043 30 10 IKEE CCN(CC)CCCN1COc2cc(C)c3c(c2C1)O/C(=C\C=C\c1ccccc1)C3=O 1871348855 OLZACDLQZKQUCO-VCNKREEMSA-N 432.564 5.051 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(N(C)C)cc1)C3=O)CN(C1CCCCCCC1)CO2 1871355383 IOKFLRNSDJIFSN-MYYYXRDXSA-N 446.591 5.942 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(Br)cc1)C3=O)CN(CCC(C)C)CO2 1871359629 TUVVYLJZMKETKL-JMIUGGIZSA-N 442.353 5.572 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc(Cl)c(Cl)c3)ccc2C1=O 1871372248 HNRDGGZKYGHJNE-NHDPSOOVSA-N 425.267 6.137 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c3C)C2=O)o1 1871383331 FUDNDMAUAQRISX-GRSHGNNSSA-N 439.807 5.293 30 10 IKEE CC(C)C(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)c1 1871390059 CPOZYVDFDDCCNA-QRVIBDJDSA-N 446.430 5.223 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCCCOc4ccccc4)cc(C)c3C2=O)c1OC 1871397440 QGWQKJISCCEYEQ-JLPGSUDCSA-N 446.499 5.476 30 10 IKEE Cc1ccc(NC(=O)CCOc2ccc3c(c2C)O/C(=C\c2ccccc2F)C3=O)cc1 1871432011 YQUQBIJNJVTUPP-HAHDFKILSA-N 431.463 5.466 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1ccc2c(c1)O/C(=C\c1cccc(OC)c1)C2=O 1871434430 SSNYCUKFBPUQOT-RRDPUDRWSA-N 438.520 5.592 30 10 IKEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1872007380 GWSHYJJNBMUDNR-FQEVSTJZSA-N 442.625 5.195 30 10 IKEE CC(=O)Nc1ccc(-c2nc([C@H](C#N)C(=O)CSCc3ccccc3)sc2C)cc1 1872728298 WEUIZMKKVICVSV-HXUWFJFHSA-N 435.574 5.187 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(C)c3)n2)cc1OCCC 1872766279 FBTHVSBPIQMPMN-HXUWFJFHSA-N 434.561 6.186 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(Cl)cc3Cl)n2)c(C)c1 1872768789 CDHGYYWWIROHCD-MRXNPFEDSA-N 431.344 5.989 30 10 IKEE COc1ccc(C)cc1-c1csc([C@H](C#N)C(=O)/C=C/c2ccc(C(C)(C)C)cc2)n1 1872771663 ZBYUUHHQYIKNRL-VZOQVYJPSA-N 430.573 6.314 30 10 IKEE N#C[C@H](C(=O)c1c(Cl)ccc(Cl)c1Cl)c1nc(-c2c[nH]c3ccccc23)cs1 1872777005 DDBFSXHEFOKFMO-LLVKDONJSA-N 446.746 6.742 30 10 IKEE N#C[C@@H](C(=O)/C=C/c1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(F)c(F)c2)cs1 1872779529 LTDRVMVISQZFCZ-NHEDYWLLSA-N 435.282 6.285 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@H](C#N)C(=O)c3ccc([N+](=O)[O-])cc3)n2)c1 1872781669 XIDVZEYQZJPFEE-GOSISDBHSA-N 437.477 5.006 30 10 IKEE N#C[C@@H](C(=O)/C=C/c1cccc(Cl)c1)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872788187 WOEMNQRGPSXPPX-RRGWEWPQSA-N 433.747 6.660 30 10 IKEE C=CCc1ccccc1OCc1cccc(C(=O)Nc2ccc(OCCCCCC)cc2)c1 1872834201 PUARNRPZKACYAF-UHFFFAOYSA-N 443.587 7.206 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2)C(=O)N(CCOc2cc(C)cc(C)c2)C1=O 1873161452 NWAWBZUDRSXWLB-UHFFFAOYSA-N 448.607 5.412 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(OC)cc2)cc2c(N(CCCC)CCCC)ncnc21 1873662782 ZMRSJVZXDYVECG-UHFFFAOYSA-N 435.572 5.285 30 10 IKEE C=C(C)CSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(OC)cc1 1874269998 ZOWLJBNYOOIYNK-WGOQTCKBSA-N 428.561 5.581 30 10 IKEE C=C(C)CSc1nnc(COc2cccc(C)c2C)n1/N=C/c1cc(Cl)ccc1O 1874323284 HYMLLKLNDRMQQV-BHGWPJFGSA-N 442.972 5.383 30 10 IKEE COc1ccccc1/C=N/n1c(COc2ccccc2)nnc1SCc1cccc(F)c1 1874383281 IMYPSRVTMNIGTF-CVKSISIWSA-N 448.523 5.179 30 10 IKEE Cc1ccc(CSc2nnc([C@@H](C)c3ccccc3)n2/N=C/c2ccc(O)c(O)c2)cc1 1874392582 PNQXANHEOGFERK-CMPFEXHJSA-N 444.560 5.324 30 10 IKEE Cn1cc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C(F)(F)F)c2ccccc21 1874459360 JJONXBNQOSGMID-KIBLKLHPSA-N 433.434 5.102 30 10 IKEE CC(C)c1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874515388 WADPPXLURFEHCA-ZVHZXABRSA-N 431.521 5.637 30 10 IKEE CCCOc1ccc(/C=N/n2c(CC)nnc2SCc2cccc(F)c2)cc1OCC 1874524212 CGMMYEZQFQPIME-MFKUBSTISA-N 442.560 5.342 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccccc1OC(C)C 1874526119 QSSWALMMCJOFPQ-WYMPLXKRSA-N 449.407 6.109 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccccc1OCC(=O)Nc1c(C)cccc1C 1874585950 NVZDTZOFBLVCRA-BUHFOSPRSA-N 443.543 5.842 30 10 IKEE CCCOc1ccc(Br)cc1/C=C/C(=O)c1ccc(OC)c(OC)c1OC 1874592458 KSSPHTNZRAQEME-RMKNXTFCSA-N 435.314 5.160 30 10 IKEE CCc1ccccc1NC(=O)COc1cccc(/C=C/C(=O)c2ccc(OC)c(F)c2)c1 1874597517 QXRMWCWPEPWOKA-ACCUITESSA-N 433.479 5.310 30 10 IKEE O=C(COc1cccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1)NC1CCCCC1 1874601224 ZTNJWBXFBPWXAU-FMIVXFBMSA-N 432.347 5.717 30 10 IKEE O=C(/C=C/c1ccc(OCCc2ccccc2)c(Cl)c1)c1ccc(Cl)c(Cl)c1 1874615585 GJDKTXMWCBLWNL-UXBLZVDNSA-N 431.746 7.164 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3F)c([N+](=O)[O-])c2)c1 1874618363 WTJFMUBPDYPKDP-PKNBQFBNSA-N 448.450 5.264 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 1874625776 VOYUPZQCIHMJMW-MDWZMJQESA-N 435.451 5.916 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)ccc1OCc1cccc(C)c1 1874636139 LINTUKOCWLQOII-DHZHZOJOSA-N 436.935 6.531 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cccc(OC(=O)c2ccc3nc(C)c(C)nc3c2)c1 1874698788 OFZIQPRBVYJHGF-SDNWHVSQSA-N 438.483 5.371 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3cccs3)c2)cc1 1874701987 PFUPPXOGSNEBAC-WUXMJOGZSA-N 436.529 5.590 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccc(F)c(F)c2F)c1 1874704632 VTEIXMRXRZZZEI-JXMROGBWSA-N 426.390 5.536 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OC(=O)c1cc(C)cc(C)c1 1874707886 BKTWMZIWRSTAJJ-WUXMJOGZSA-N 428.528 6.551 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)CCCSC)c2)cc1C(C)C 1874710749 ITYOJWFCWBMZEY-VAWYXSNFSA-N 426.578 6.072 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccc(C(C)(C)C)cc2)c1 1874713153 IPYGBBJRJUPJIA-XNTDXEJSSA-N 442.555 6.725 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccccn3)c2)c(OCC)c1 1874714607 FNHURMOPSTULEF-UKTHLTGXSA-N 447.487 5.003 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1cncc(C)c1 1875082578 IEYLFPIBUTXRSP-RIYZIHGNSA-N 449.506 6.181 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)Cc3ccccc3)c(OC)c2)cc1 1875112458 JMXKRFAYIDXTSM-MDWZMJQESA-N 436.891 5.401 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Br)c(OC(=O)CC(C)C)c(OC)c2)cc1 1875112487 ANWMAIRNEXLMCI-BJMVGYQFSA-N 447.325 5.314 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)C(F)(F)F)c(OCC)c2)cc1 1875129988 CZPVJZJYTUZXHU-BJMVGYQFSA-N 442.817 5.501 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3Cl)c([N+](=O)[O-])c2)ccc1F 1875141453 GAIJZYFEFXOQTH-UXBLZVDNSA-N 439.826 5.811 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1ccccc1C 1875145081 FEPPGTRWGNHORQ-ACCUITESSA-N 430.500 5.826 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OC(=O)c3cccs3)c([N+](=O)[O-])c2)c1C 1875169457 RKIJXIGHDKTZRG-VQHVLOKHSA-N 435.501 6.005 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)C(C)C)c(Br)c2)cc1Cl 1875188884 NZEIFPNBLWKDFF-QPJJXVBHSA-N 437.717 5.569 30 10 IKEE C=C(COCc1ccccc1)[C@@H](O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 1922068076 GJSVSNIVPOVTMX-HXUWFJFHSA-N 448.357 5.603 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@H]1CCN(C(=O)OC(C)(C)C)c2ccccc21 1922116560 RHDGYBKCGUVWGD-UKILVPOCSA-N 436.596 5.667 30 10 IKEE CC(C)(C)OC(=O)NC(C)(C)[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1991735340 FKPYHJYBFBQJHK-QFIPXVFZSA-N 437.968 5.667 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@]1(C#N)CCCCN(Cc2ccccc2)C1 2003432174 XLZCWTCYDABASK-SANMLTNESA-N 425.617 5.895 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1N(C(=O)OC(C)(C)C)CCCC1(C)C 2013226060 GQMIJXXPPLCOFA-GOTSBHOMSA-N 430.633 5.553 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@](C)(C#N)c1ccc(CNC(=O)OC(C)(C)C)cc1 2014212873 BFANCDCXMKHZNF-XMMPIXPASA-N 431.577 5.343 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2CC(C#N)(N(C(=O)OC(C)(C)C)c3ccccc3F)C[C@@H]2C1 2040988234 LOFZQKBVYJEHDN-IAGOWNOFSA-N 445.535 5.106 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 2041560224 QCTQICGGWHTUMD-UQBPGWFLSA-N 449.636 5.876 30 10 IKEE C=C(C)[C@H](NCCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071360193 WLCVPEICUHSHMJ-NSOVKSMOSA-N 431.576 5.822 30 10 IKEE C#CC[C@@H](C[C@H](N)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C1CC1 2076080362 WMONKYBIXWSVHW-BDYUSTAISA-N 425.572 6.284 30 10 IKEE CC(C)c1ccc([C@@H](n2nc(C3CCC3)c(C=NO)c2Br)C(C)(C)C)cc1 2079943797 HKDKSUJKFBKACM-HXUWFJFHSA-N 432.406 6.480 30 10 IKEE COC(=O)c1cnc2c(-c3cc(F)ccc3C(F)(F)F)c(C(F)(F)F)nn2c1Cl 2081524712 WFGCGVQDHQKDQD-UHFFFAOYSA-N 441.690 5.013 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1nc(C2CC2)cs1 2093265577 YTVIAEKCGKANPZ-INIZCTEOSA-N 434.359 5.789 30 10 IKEE CC(C)(C)OC(=O)NCCc1ccc(Nc2cc(Br)c(C#N)cc2F)cc1 2162323596 PIHHSWUGDVRWJY-UHFFFAOYSA-N 434.309 5.271 30 10 IKEE CC(C)(C)OC(=O)NC1(c2ccccc2Nc2cc(Br)ccc2C#N)CC1 2199691646 COXJLWNIHXGSJO-UHFFFAOYSA-N 428.330 5.578 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Br)cc1Cl 2222745772 YSGPMRFGPJMNCJ-IRXDYDNUSA-N 429.786 5.060 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)cc1Cl 2230370284 CZZBGMNVMFGZSV-ZWKOTPCHSA-N 445.829 6.003 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)c1ccc(Cl)cc1Br 2275137322 SIBCJTVIRCFXJE-FQEVSTJZSA-N 439.733 5.408 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Cl)cc1C(=O)C#Cc1cccc(Br)c1 2278730786 RAYLGOOJMDBPME-UHFFFAOYSA-N 434.717 5.684 30 10 IKEE CC(C)(C)CC1CC([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)C1 2289970583 ZNLISJNIOJKWJJ-RJYAGPCLSA-N 435.406 6.545 30 10 IKEE O=C(C=CN1CCN(Cc2c(Cl)cccc2Cl)CC1)c1ccc(OC(F)F)cc1 2297109190 FZZBIPFGOQZEFL-UHFFFAOYSA-N 441.305 5.109 30 10 IKEE CCOc1ccc(N=C2SC(=Cc3cc(C)n(C)c3C)C(=O)N2C2CCCCC2)cc1 2297462785 IXCUEUGQJZAPJT-UHFFFAOYSA-N 437.609 5.977 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(OC)c(OCc3c(F)cccc3Cl)c2)SC1=S 2297577752 XXHMZGUWLQMRGY-UHFFFAOYSA-N 449.956 5.454 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@@H]3C[C@@H](OCc4ccccc4)C[C@@H]32)cc1 2310844559 OTWOIRBNFVMCJV-WCJVPVSSSA-N 432.564 6.014 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@@H](C#N)[C@]1(C)CCCCN1C(=O)OC(C)(C)C 2318947597 WGFZBTOPMJPPMX-CYFREDJKSA-N 447.551 5.639 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCc4ccc(Br)cc4)c3C)C2=O)cc1 2321844620 AXKIVCFDPFUBBN-UHFFFAOYSA-N 435.317 6.261 30 10 IKEE O=C1C(=CC=Cc2ccccc2)Oc2cc(OCc3cc(Cl)cc4c3OCOC4)ccc21 2321876906 YUTWRFLBQRUOGB-UHFFFAOYSA-N 446.886 5.958 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3c4c(cc(C)c3C1=O)OCN(C1CCCC1)C4)cn2C 2322016124 AEBLNBVLAIBWQX-UHFFFAOYSA-N 444.531 5.206 30 10 IKEE C[C@H]1CCCC[C@@H]1N1COc2ccc3c(c2C1)OC(=Cc1ccc(C(C)(C)C)cc1)C3=O 2322146001 LDNILUZAYKPXGV-MBSDFSHPSA-N 431.576 6.331 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccccc1F)C3=O)CN(Cc1ccc(Cl)cc1)CO2 2322305543 RSUVZPBKLVMKKK-UHFFFAOYSA-N 435.882 5.756 30 10 IKEE CCOc1ccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3ccc(C)cc3)C4)C2=O)cc1 2322307582 IFOMQTCFJADCDM-UHFFFAOYSA-N 441.527 5.670 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccccc2OCc2c(Cl)cccc2Cl)cc1 2322391347 YRNAVFXZPUETMT-UHFFFAOYSA-N 439.382 7.811 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)c4ccc(C)cc4)cc(C)c3C2=O)c(OC)c1 2322671472 NJGPLYIHYZRWAO-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2)c(Br)c1OCc1cccc(F)c1 2323127238 ALSBDECETVSCNP-UHFFFAOYSA-N 441.296 6.072 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)N[C@H](C)c3ccccc3)c2)cc1Cl 2323310664 WXIDHJPWYNLURB-GOSISDBHSA-N 449.934 5.501 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccc([N+](=O)[O-])cc1 2323379141 OEFAMDUWEJJEBJ-UHFFFAOYSA-N 448.431 5.377 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3F)c([N+](=O)[O-])c2)cc1OC 2323444313 DGOUYJLHFYHTCD-UHFFFAOYSA-N 437.423 5.226 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)cc([N+](=O)[O-])c1OCc1ccc(F)cc1 2323480211 WINNYYZGOLEDMZ-UHFFFAOYSA-N 449.478 6.170 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(C(=O)OC)o1 2323792093 LZHIHZKKUYRFHZ-UHFFFAOYSA-N 440.879 5.593 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(OC)cc2)C3=O)c1 2323795930 HGMOQGYFBGXKSQ-UHFFFAOYSA-N 430.456 5.238 30 10 IKEE CCCCOc1c(OC)cc(C=NNc2nc(-c3ccc(F)cc3)cs2)cc1[N+](=O)[O-] 2323842527 BUOHMQVDHFMTNZ-UHFFFAOYSA-N 444.488 5.491 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3c(C)cccc3C)c(Cl)c2)cc1 2323900425 KRMMUXHSVTUWQS-UHFFFAOYSA-N 433.935 6.179 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OCC(=O)Nc1ccc(F)cc1 2323960081 IWIJSRVQQUWGPY-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE CCCCCCOc1ccc2c(c1C)OC(=Cc1cn(CC)c3ccc(OC)cc13)C2=O 2324261647 XNGXMBUGCVGKKU-UHFFFAOYSA-N 433.548 6.554 30 10 IKEE Cc1c(OCCCc2ccccc2)ccc2c1OC(=Cc1c(Cl)cccc1Cl)C2=O 2324280869 NKFQTCMMNHRLMF-UHFFFAOYSA-N 439.338 6.930 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)ccc1OCc1ccccc1C 2324585066 YQOMLDMOFRVEAX-UHFFFAOYSA-N 442.599 7.475 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)cc(Br)c1OC 2324690478 NYGPKMVHKIJORM-UHFFFAOYSA-N 441.321 5.914 30 10 IKEE COc1cc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(C)cc3)n2)c(OC)cc1Cl 2324741453 DHKNBNXCMFTVBM-QGZVFWFLSA-N 438.936 5.679 30 10 IKEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(Cl)c(Cl)c3)n2)cc1C 2324756631 WKDFNZRXRLCQPQ-KRWDZBQOSA-N 427.356 6.623 30 10 IKEE CCCCCCC[C@H](O)Cc1ccc(I)c(Br)c1 2325204089 LAUXJKXDRWLVJP-ZDUSSCGKSA-N 425.148 5.318 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OC(c3ccccc3)c3ccccc3)ccc2C1=O 2325215734 CERNBNOSSIFXSR-UHFFFAOYSA-N 448.518 6.870 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2)C3=O)c(Cl)c1 2325299170 ZQWONXYHQKSTMX-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CCc2cccc(OC)c2)nnc1SCCC 2325424682 PDFLCEROQZZYBW-UHFFFAOYSA-N 436.581 5.021 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)COc3ccc(C)cc3C)c2)cc1 2325704290 KIMWESUYYPKBOC-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(C)c(C)c3)c2)cc1OC 2325760367 JCTURJGCBIGXDO-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(C)cc3)c2)c(OC)c1 2325760744 VZPHBCWCVOAPGX-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1N=Cc1cccc(Cl)c1Cl 2326272797 FARWYWZRIIYFQN-UHFFFAOYSA-N 437.371 6.241 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2OCC)n1N=Cc1ccccc1Cl 2326832371 KQGNGDYCVAENCC-UHFFFAOYSA-N 442.972 5.460 30 10 IKEE CCCCOc1ccc(C=Nn2c(CCc3ccccc3Cl)nnc2SCC)cc1 2327948461 IDVQSUVYKFOELA-UHFFFAOYSA-N 443.016 5.890 30 10 IKEE COc1cccc(CCc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccccc2)c1 2328610640 YSEFMABCINDKHH-UHFFFAOYSA-N 446.551 5.386 30 10 IKEE CCCC[C@@H](NC(=O)C=C(c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1ccc(C#N)cc1 2329603089 UNYSTMUOBBGHHO-RUZDIDTESA-N 429.564 5.282 30 10 IKEE CC(=Cc1ccccc1Cl)C(=O)N[C@@H](C(=O)Nc1ccc(C#N)cc1)c1ccccc1 2330478043 MCAKFXGDTLPPHQ-HSZRJFAPSA-N 429.907 5.111 30 10 IKEE Clc1ccc(CSc2nnc(-c3cccs3)n2N=Cc2ccco2)cc1Cl 2330607433 AZMUJQMBPVFUHS-UHFFFAOYSA-N 435.361 6.081 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2ccc(F)cc2)nnc1-c1ccccc1 2330640135 JVUCSGAVMLBHJA-UHFFFAOYSA-N 444.535 5.824 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2ccccc2)c(Cl)c1 2330700588 GFOUGTSYIYHHOG-UHFFFAOYSA-N 439.371 6.426 30 10 IKEE Cc1ccsc1C=Nn1c(CC(C)(C)C)nnc1SCc1ccc([N+](=O)[O-])cc1 2330824640 FSIGJUKGSPPIFW-UHFFFAOYSA-N 429.571 5.319 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)c3ccccc3)c([N+](=O)[O-])c2)cc1C 2330867369 CLYUBFOTQVLNST-SFHVURJKSA-N 445.471 5.517 30 10 IKEE Fc1cccc(CSc2nnc([C@H]3CCCO3)n2N=Cc2cccc3ccccc23)c1 2330938827 CCZVQNLAEHSTMZ-JOCHJYFZSA-N 432.524 5.596 30 10 IKEE Cc1ccsc1C=Nn1c(SCc2cccc3ccccc23)nnc1C1CCCC1 2331084220 BJARNPDIRVUPCE-UHFFFAOYSA-N 432.618 6.633 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3F)cc2OC)c1 2331108753 JBZQBLMILPGHRN-UHFFFAOYSA-N 438.426 5.487 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OC(=O)Cc1ccccc1Cl 2331136087 HWZGZGGCTIMOBZ-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@@H]2CCCO2)c(Br)c1)c1ccc(Cl)cc1 2331145414 PAFIMUPCGPGUDL-IBGZPJMESA-N 435.701 5.083 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)c(F)c2)cc1)c1ccc(Cl)c(Cl)c1 2331239527 HFGQEBRMXCRPPD-UHFFFAOYSA-N 433.237 6.387 30 10 IKEE CCCOc1cccc(C=Nn2c(CCOC)nnc2SCc2cc(C)ccc2C)c1 2331282252 VWNDOTTWLPILMJ-UHFFFAOYSA-N 438.597 5.047 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1ccccc1OC 2331371789 JOBXITMXQHJXPX-UHFFFAOYSA-N 446.499 5.526 30 10 IKEE CCCCOc1ccc(C=Nn2c(CC(C)C)nnc2SCc2ccc(C)cc2)cc1 2331429255 IPYUZIBOHOVGPB-UHFFFAOYSA-N 436.625 6.138 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(F)cc1 2331471080 LNZCYSUQBMVDHY-UHFFFAOYSA-N 437.371 6.097 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)COc1c(C)cccc1C 2331535273 CHNXRBVFKBWFGH-UHFFFAOYSA-N 448.490 5.722 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CCC2)cc1 2331541561 DORLQARAORMLAZ-UHFFFAOYSA-N 425.001 6.497 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cncc(C)c3)cc2)c(OCC)c1 2331733015 FFMCATMQNKQPLE-UHFFFAOYSA-N 431.488 5.303 30 10 IKEE O=[N+]([O-])c1cc(C=Nn2c(SCc3cccc(F)c3)nnc2C2CC2)ccc1Cl 2331734227 YWZDSLQKIVHPRA-UHFFFAOYSA-N 431.880 5.031 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3)c([N+](=O)[O-])c2)c(C)c1 2331768955 QZJINFFWYOBSPI-UHFFFAOYSA-N 429.472 5.564 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)c(OC)cc2C)ccc1OC(=O)c1cncc(C)c1 2331852605 SUAUGSFXRVNQPY-UHFFFAOYSA-N 445.515 5.529 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1cnc(C(F)(F)F)o1 2367980014 DLZDTWWOGDLLFO-LBPRGKRZSA-N 446.223 5.462 30 10 IKEE Cc1cc(C)c2oc(-c3cc(/N=C/c4cc(Cl)cc([N+](=O)[O-])c4O)ccc3O)nc2c1 1885590 NWZYJXYIESWLEX-YSURURNPSA-N 437.839 5.835 30 10 IKEE CSCCCN1C(=O)/C(=C\c2cccc(Cl)c2)S/C1=N/c1cccc(C)c1C 14357792 LMRUFPSHQNSKSO-NFVLHAOASA-N 431.026 6.314 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2OCCC)cc1 21221466 QRQBIKCETMBWES-UGKGYDQZSA-N 433.548 5.269 30 10 IKEE CCOc1ccc(N/C(=N\C(=O)c2cccc(C)c2)NCCc2c[nH]c3ccccc23)cc1 32943107 HTKXZIUYXCTPMW-UHFFFAOYSA-N 440.547 5.316 30 10 IKEE Cc1cccc(/N=C2/NC(=O)S/C2=C\c2ccc(-c3c(Cl)cccc3Cl)o2)c1 33568352 LSIUYFNIBFNHKY-WQRHYEAKSA-N 429.328 7.089 30 10 IKEE C/C(=N/NC(=S)Nc1cc(C)ccc1C)c1ccc(OC(F)F)cc1OC(F)F 33642782 WIRFUMPZQOJWPJ-ROTLSHHCSA-N 429.439 5.217 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)cc2)c1 34953809 NQDKRRXCSXSFAN-QFIPXVFZSA-N 432.907 5.130 30 10 IKEE O=C1/C(=C\c2cccn2-c2ccccc2)S/C(=N/C2CCCCC2)N1C1CCCCC1 35419383 WICUPHOWZZISEL-ZLFJWLGHSA-N 433.621 6.415 30 10 IKEE C=CCOc1cccc2c1cc(C(=O)Nc1ccc(C)c(C)c1)n2Cc1ccc(F)cc1F 35924523 DJJDQJIPKHNDOD-UHFFFAOYSA-N 446.497 6.402 30 10 IKEE COc1ccccc1/C=C1\S/C(=N/c2cccc(C(=O)O)c2)N(c2ccccc2)C1=O 39866721 VKGPAIFIZLMBDP-AULJNTNUSA-N 430.485 5.202 30 10 IKEE C=CCc1ccc(OCCn2c(CCCN3CCCCCC3)nc3ccccc32)c(OC)c1 39917777 XELKICXIFDCIPZ-UHFFFAOYSA-N 447.623 5.661 30 10 IKEE Cc1cc(OC(=O)c2ccccc2)cc2c1C(=O)/C(=C/c1ccc(-c3ccccc3)cc1)O2 41251222 NLAHTQRUZBWZKK-ONUIUJJFSA-N 432.475 6.497 30 10 IKEE COc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccc(F)cc2)C4)cc1 41646631 ZGPQHSGRNFICGB-FMCGGJTJSA-N 431.463 5.111 30 10 IKEE Cc1cccc(NC(=O)c2cnn3c2NC2=C(C(=O)CCC2)[C@H]3c2ccccc2Cl)c1 64874108 VZUMHIHYNAEIOQ-JOCHJYFZSA-N 432.911 5.119 30 10 IKEE C[C@@H](O[C@@H]1OCCN[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 72190310 AFBDSAJOMZYQAI-AFBMGJRZSA-N 437.355 5.628 30 10 IKEE O=C(COc1ccc(/N=N/c2ccccc2)cc1)N1C(=O)CS/C1=N\c1ccccc1 90635686 YPELMKWFGRYKRC-HXEHWPEMSA-N 430.489 5.271 30 10 IKEE O=C1/C(=C\c2ccc(Cl)cc2Cl)S/C(=N\c2ccccc2)N1C1CCCCC1 100393348 WHAQREIOMFWERS-HXEHVNBISA-N 431.388 6.930 30 10 IKEE CCCCCCCCCCCCCCCc1ccc(OC[C@@H](O)CN2CCNCC2)cc1 100890640 SIEOWLKLQKITPC-MHZLTWQESA-N 446.720 5.965 30 10 IKEE CCCCCCCCC/C=C/COC(=O)/C=C/c1ccc(/C=N/c2ccc(O)cc2)cc1 101005786 WPGZQBUUIIGDTG-SKMOMEKQSA-N 433.592 7.396 30 10 IKEE CCCCCCCOc1c(Cl)cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1Cl 101138458 JVEDICWBTMKBIE-UHFFFAOYSA-N 439.339 6.812 30 10 IKEE CCCCCCCCCCCn1c([C@@H](C)NC(=O)Cc2ccccc2)nc2ccccc21 102130992 GWBPVOOFYFBHRW-HSZRJFAPSA-N 433.640 6.987 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OC(=O)C4CCCCC4)ccc3C2=O)c2cc(OC)ccc21 102725265 DTPFJTDKDRQKOZ-MXAYSNPKSA-N 445.515 5.772 30 10 IKEE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F 107830228 VDFRKGHQPIDCBS-GFCCVEGCSA-N 431.241 5.223 30 10 IKEE CC(C)c1cccc(C(C)C)c1N1CCN(c2c(C(C)C)cccc2C(C)C)[P+]1=O 137477620 PJGJPWAXZUCDHL-UHFFFAOYSA-N 425.577 8.164 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccc(OC)c2)c1 169929258 UQFBCJKIWDWSBG-HSZRJFAPSA-N 447.462 5.016 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccccc2OC)cc1 169945171 BIEWZUYOYQULJL-VWLOTQADSA-N 441.527 5.657 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(C)c1 169967266 MYVZTSONFWHCHD-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 169974857 YFEUOZFJPFTOHE-DEOSSOPVSA-N 425.528 6.075 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2cccs2)cc1 169985230 ZSBVCAISRDNEQD-SFHVURJKSA-N 440.546 5.003 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cccc3ccccc23)cc1 170044545 USCNSQYAVYDINV-PXDATVDWSA-N 441.527 5.160 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2cccc(O)c2)cc1 170079628 ZJJQCSMSATZLLW-SANMLTNESA-N 441.527 5.618 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccccc2C)cc1 170088640 DQXNLJOJBDFPDV-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1cccc(C)c1 170140245 HMRVGPVUSMXWDS-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccncc2)cc1C 170202475 VOLJLVDKBTUJPT-DEOSSOPVSA-N 442.515 5.107 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccncc2)cc1C(C)C 170211936 WKQLAUBOHUEIBQ-QHCPKHFHSA-N 434.536 5.125 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2)cc1C 170223598 BQGYIKNWDNMJJC-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc(O)c1 170259955 MQVAICWYKIHVIN-VWLOTQADSA-N 435.479 5.637 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccco1 170284266 FHNOJHPAXNWLQY-QHCPKHFHSA-N 447.918 5.903 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2sccc2C)cc1C 170319781 ZRMOOOMEORPEMH-HXUWFJFHSA-N 425.550 5.203 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Nc3ccccc3)cc2)[C@H]1c1ccco1)c1ccccc1 170400432 NFEHVCVSLSCXCW-DEOSSOPVSA-N 436.467 5.806 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(C(C)C)cc2)cc1O 170408667 FFUBQFCUOINKDW-QFIPXVFZSA-N 449.528 5.369 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N1CCc2c(cnn2C(C)(C)C)C1 170491364 MSFFMZFPXCJZIH-UHFFFAOYSA-N 445.736 7.784 30 10 IKEE C/N=C1\S/C(=C\c2cc(Cl)ccc2OCc2c(F)cccc2Cl)C(=O)N1C 230145114 NOGLDMOKBGVJSZ-UPBOQZGBSA-N 425.312 5.243 30 10 IKEE N#Cc1ccc(CSc2ccccc2NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 247641480 HPVYEKWFGTYZNU-UHFFFAOYSA-N 448.491 5.670 30 10 IKEE Brc1ccc(-c2n[nH]cc2C=NN=C(c2ccccc2)c2ccccc2)cc1 254302146 ZGUXTYNSUSPKFT-UHFFFAOYSA-N 429.321 5.711 30 10 IKEE CCCOc1ccc(/C=N\n2c(CCC)nnc2SCc2ccccc2)cc1[N+](=O)[O-] 526800772 XGPJRCXIKUUTOK-HAHDFKILSA-N 439.541 5.102 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1ccc(OC)c(OC)c1Cl 526803171 UCRKCFNWRRDLCJ-MSXFZWOLSA-N 448.951 5.215 30 10 IKEE CCOc1cc(/C=N\n2cnnc2SCc2cccc(C)c2)cc(Cl)c1OC(C)C 526807896 FTKYGXSFPNVJFH-ROTLSHHCSA-N 444.988 5.600 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1ccc(Br)cc1 526812078 XUWCKILFPVWZCX-QRVIBDJDSA-N 443.414 5.784 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1ccc(C(C)(C)C)cc1 526821879 ABCCZRSTIQBOFJ-PKAZHMFMSA-N 431.609 5.964 30 10 IKEE C=CCCN(c1ccc(N2CCC(C)CC2)cc1)S(=O)(=O)c1cc(C)ccc1OC 586248543 YYGZEUDPYLDTSX-UHFFFAOYSA-N 428.598 5.011 30 10 IKEE N#Cc1cccc(NC(=O)Nc2cccc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c2)c1 586729642 YCPUPXVSYYEQQX-UHFFFAOYSA-N 448.482 6.247 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)C1(C#N)CCN(C(=O)OCc2ccccc2)CC1 698419590 PPSOISNVIJCBNQ-UHFFFAOYSA-N 441.572 5.251 30 10 IKEE C[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)CN1Cc1ccccc1 698947487 UXAVBPUEUGBGAC-UUOWRZLLSA-N 425.960 5.638 30 10 IKEE CC(C)N(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(Br)c(Br)s1 710726040 OROBUQFDVYCJTK-JTQLQIEISA-N 438.185 5.483 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCC1 712372759 JHAFZBQOOHTQEX-WZOHSFFVSA-N 447.620 5.628 30 10 IKEE CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC1=CC(=O)C2=C(CCCC2)C1=O 888085820 SAISHJPILDBUDU-ISJGIBHGSA-N 442.728 8.791 30 10 IKEE COc1ccc(/C=C2\SC(=Nc3nccs3)N(C3CCCCC3)C2=O)cc1OC 1772732917 FJRGROSOQGYTTG-FQGQUVFJSA-N 429.567 5.097 30 10 IKEE Cc1nnc(N=C2S/C(=C\C(Cl)=C\c3ccccc3)C(=O)N2C2CCCCC2)s1 1772733738 ANJKLGWEKDLBBO-OMCDINJXSA-N 445.013 5.906 30 10 IKEE Cc1nnc(N=C2S/C(=C/c3ccc(Br)o3)C(=O)N2c2ccccc2)s1 1772739341 SXBIKZPMGUHGKA-AEVLXMGSSA-N 447.339 5.011 30 10 IKEE Cc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=S)Nc2ccccc2)CCC3)c1C 1772750404 RXLOTOAPUBKIGP-UHFFFAOYSA-N 446.576 5.484 30 10 IKEE CCN(CC)Cc1ccc(/C=N/NC(=S)NC2CCCCCCCCCCC2)cc1 1860500546 WXMGTGKTTVMGNX-LHLOQNFPSA-N 430.706 6.000 30 10 IKEE O=C(/C=C/c1ccc(F)c(Br)c1)C(=O)NC(c1ccccc1)c1ccccc1 1860732699 HXRVFSZAJYTBQM-WYMLVPIESA-N 438.296 5.076 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC(C)C)NC(=O)/C=C/c1ccc(Cl)cc1 1861102384 BRNUDYLTRQRXFA-IOUNIBQOSA-N 435.052 6.141 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccccc1C 1862411287 CYUGDYPNMGFGPT-WZONZLPQSA-N 441.518 6.210 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(F)cc2F)=C(O)C(=O)N1[C@H](C)c1ccccc1 1862412239 ZOWHNJZKUFJMAE-MWTRTKDXSA-N 433.454 5.613 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCCCO)[C@@H]1c1cccc2ccccc12)c1cccc(Cl)c1 1862449602 OTGKAUUUFVDJIG-HSZRJFAPSA-N 449.934 5.234 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccccc2Cl)cc1 1862502535 CJTDRSDNYWLSDR-QHCPKHFHSA-N 449.909 5.874 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc3ccccc23)ccc1F 1862505129 KTPSVMHYMYOFTC-XMMPIXPASA-N 429.491 5.808 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc(C)cc2)cc1 1862516013 XJTQDRYOTUGOEZ-RZPHLTDDSA-N 447.575 5.941 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccc(C)cc2)cc1 1862534643 WKNLWPUYPZSHPU-DFBJGRDBSA-N 425.528 5.897 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2cccc(Cl)c2)cc1 1862535500 DPDXOQDTZNCWEN-DEOSSOPVSA-N 449.978 6.371 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(C(C)(C)C)cc1 1862549547 RGQJWIDESZQEGH-XMMPIXPASA-N 429.560 5.627 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccccc1Cl 1862594345 CMLPMXJGFZXABI-NYHFZMIOSA-N 433.891 5.385 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccccc1C 1862660322 KKWCGXHUAWJXOZ-BVAGGSTKSA-N 447.619 7.056 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2cccc(F)c2)cc1 1862662301 GTYRIMRTUKVCIP-QHCPKHFHSA-N 449.547 5.832 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862667636 HITZCWOIGCNRSU-NRFANRHFSA-N 446.374 6.351 30 10 IKEE Cc1c(Cl)cccc1NC1=C(c2ccccc2Cl)C(=O)N(c2ccccc2C#N)C1=O 1863083142 JYGDAQMCTXSEHG-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE Cc1cc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(Cl)cc3C)C2=O)ccc1F 1863092542 JJDFITQGGAEJPE-UHFFFAOYSA-N 445.881 5.364 30 10 IKEE CCCCCCCCNC1=C(c2cc(Cl)ccc2Cl)C(=O)N(CCCC)C1=O 1863722091 SMHHWYPJUGDMLY-UHFFFAOYSA-N 425.400 5.824 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)c2cc3cc(Cl)ccc3oc2=O)c1 1866290000 XCKFTZFDTGGZEK-UHFFFAOYSA-N 442.858 5.110 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N1CCC(Cc2ccccc2)CC1 1866342639 SEXMKPHSIWXACR-UHFFFAOYSA-N 441.744 8.729 30 10 IKEE CC(C)[C@H]1c2ccccc2CCN1c1cc(Nc2ccccc2C#N)nc(-c2cccnc2)n1 1868572666 QCOMQLAOBLALFO-MHZLTWQESA-N 446.558 5.914 30 10 IKEE CCCCCCCCNC(=O)c1cn(-c2ccc(Oc3ccccc3)cc2)c(=O)cc1O 1870128276 NJSROYXCYUKRGL-UHFFFAOYSA-N 434.536 5.426 30 10 IKEE CCCCCCCCn1cc(OCC2CCCCC2)c(=O)cc1CSc1ccccc1 1870276567 WWECAEPMSIYFGS-UHFFFAOYSA-N 441.681 7.460 30 10 IKEE C=CCn1cc(OCc2ccc(F)cc2)c(=O)cc1CN1CCC(Cc2ccccc2)CC1 1870623868 ZCAWCCXZGAGDDU-UHFFFAOYSA-N 446.566 5.207 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCCOc2ccc(Cl)cc2)cn1CCCC 1870777514 RTWACPBFMGCZHM-UHFFFAOYSA-N 445.003 5.324 30 10 IKEE C=CCOc1cn(Cc2cccc(C)c2)c(CNc2ccc(Br)cc2)cc1=O 1870809422 BQWWKDGMZBYWDR-UHFFFAOYSA-N 439.353 5.144 30 10 IKEE COc1ccc([C@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2ccc(F)cc2)C4=O)cc1 1871353968 CJXAPEMKQFCYDX-XLFQKYORSA-N 431.463 5.364 30 10 IKEE Cc1ccc(CCC(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1 1871367403 JSXPDHWOIATWFA-ONUIUJJFSA-N 440.539 6.581 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OC(=O)c3ccc(/C=C/C(=O)O)cc3)cc(C)c2C1=O 1871382320 UBQAVMVYRWQVBK-RMAQBEHBSA-N 446.480 5.298 30 10 IKEE O=C1/C(=C/c2cccnc2)Oc2cc(OC(=O)c3c(Cl)ccc(Cl)c3Cl)ccc21 1871383155 MIYTZWHZCOCSKF-IUXPMGMMSA-N 446.673 5.877 30 10 IKEE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871383281 NNUBZWNTORGFFG-CFRMEGHHSA-N 432.447 5.696 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OC(=O)c3cccc(OC(C)C)c3)cc(C)c2C1=O 1871388350 QVILPUIYXPCCOV-BKUYFWCQSA-N 434.513 5.988 30 10 IKEE COc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(C)cc1)C2=O 1871411852 KJWMKMVVLHKASB-YNJLWJOVSA-N 443.499 5.334 30 10 IKEE COc1cccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4cc(C)ccc4C)ccc3C2=O)c1 1871412565 VPRUROMIUKXJTP-BDFPJNNISA-N 443.499 5.334 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cccc(C(C)(C)C)c1)c1ccccc1)S(=O)(=O)CCC 1872229361 WYGUTIPYRYOOEB-QHCPKHFHSA-N 442.625 5.282 30 10 IKEE Cc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3cccc(Br)c3)cs2)c(C)c1 1872763521 OCMWOXYGERUWQE-QGZVFWFLSA-N 441.350 5.445 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)COc3cccc(C)c3C)n2)cc1C(C)C 1872779846 SPPIYHYTXFQCEF-OAQYLSRUSA-N 448.588 6.123 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@H](C#N)C(=O)/C=C/c2ccccc2Cl)n1 1872784014 NLZZKQCMWZYOCG-KXPUMZMLSA-N 443.355 6.324 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@@H](C#N)C(=O)COc2cccc(C)c2C)n1 1872786844 UGHDJRVSVMQSLX-KRWDZBQOSA-N 440.952 5.653 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@@H](C)CC)=C(c2cc(F)c(F)cc2F)C1=O 1873062046 NRLXMNHWHGNLPT-INIZCTEOSA-N 438.534 5.713 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc3c[nH]nc3c2)=C(c2cccc(OC)c2)C1=O 1873218607 VWOCOLCPVPPNES-UHFFFAOYSA-N 446.551 5.124 30 10 IKEE CCCCCCN1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873278747 XIXQXRCFOMWBRK-UHFFFAOYSA-N 449.554 5.998 30 10 IKEE N#Cc1nc(-c2ccccc2)oc1N/N=C/c1ccc(OCc2c(F)cccc2Cl)cc1 1873470827 RSIQWJJGYLMOAF-CCVNUDIWSA-N 446.869 6.031 30 10 IKEE Clc1ccc(COc2ccc(/C=N/Nc3ccc(Cl)c(Cl)c3)cc2)c(Cl)c1 1873498753 HIKOBNYWOSAYKL-OPEKNORGSA-N 440.157 7.325 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(C)c(C)c1)n2CCCC 1873621452 RIGXWNKQDKUWSS-UHFFFAOYSA-N 449.643 6.873 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1ccncc1 1874197431 KHMHNYOGVVYPQA-WPWMEQJKSA-N 443.576 5.388 30 10 IKEE CCOc1ccc(CCc2nnc(SCC)n2/N=C/c2ccc(CC)cc2)cc1OC 1874200100 KOIAEWSVFWTWQD-KOEQRZSOSA-N 438.597 5.027 30 10 IKEE Cc1cccc(CSc2nnc(COc3c(C)cccc3C)n2/N=C/c2ccco2)c1 1874298975 CJMZHWQFLSDQOU-AFUMVMLFSA-N 432.549 5.550 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874329747 CSADPWWRIMEXLK-ZVHZXABRSA-N 435.553 5.139 30 10 IKEE C=CCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1c(Cl)cccc1Cl 1874342848 LNTXCZINLDRSMZ-FSJBWODESA-N 437.783 5.989 30 10 IKEE Cn1cccc1/C=N/n1c(CC2CCCCC2)nnc1SCc1cccc2ccccc12 1874409356 SKJDDVCZHAJPRM-OVVQPSECSA-N 443.620 6.067 30 10 IKEE Cc1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2ccc(C(=O)O)cc2)cc1 1874420324 HHHBKKGJONRWKE-YDZHTSKRSA-N 434.546 5.188 30 10 IKEE C=C(C)CSc1nnc(-c2cccs2)n1/N=C/c1ccc(OCCC)c(OCC)c1 1874422532 QZTNPBMESKIKKB-OEAKJJBVSA-N 442.610 5.745 30 10 IKEE CCCCCCOc1ccc(/C=N/n2c(SCC)nnc2C2CCCC2)cc1OC 1874455302 LGJJUVKOMHRQGJ-JJIBRWJFSA-N 430.618 5.898 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CCCC2)cc1 1874457425 OSUICDHPHCILJF-WYMPLXKRSA-N 447.391 6.123 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccco2)n1/N=C/c1c(F)cccc1Cl 1874464632 UJCJCUNIMUUPDA-WYMPLXKRSA-N 426.904 5.814 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2/N=C/c2ccc(C)cc2)cc1 1874465568 PLPGKKCYSBOJPA-MFKUBSTISA-N 445.548 5.022 30 10 IKEE C=C(C)CSc1nnc(-c2ccco2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874466733 YPQGAIAZIFUMRO-MFKUBSTISA-N 430.533 5.668 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(OCCC)cc1 1874477208 PCZACLJOTOKGNM-PCLIKHOPSA-N 426.561 5.723 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3)nnc2C2CCC2)cc1 1874493459 NIUYMRJLLZPZGO-MFKUBSTISA-N 433.581 5.282 30 10 IKEE C=C(C)CSc1nnc(C2CC2)n1/N=C/c1ccc(OCCc2ccccc2)c(OC)c1 1874519623 CORMCYPWHWMWOU-WGOQTCKBSA-N 448.592 5.336 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C2CC2)c1 1874521514 WNIJFRZWNYTJGG-WYMPLXKRSA-N 447.391 6.036 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Br)ccc2OCc2ccccc2)cc1C 1874574084 UHTGKLQTMIKFTE-DHZHZOJOSA-N 437.333 6.241 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(F)c(C)c2)c1OCc1ccc(F)cc1 1874581402 MAXKCGRAAHQDSM-UXBLZVDNSA-N 428.862 6.410 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc3c(c2)OCO3)c1OCc1ccc(C)cc1 1874583021 RWRTZDWZUFHGPN-VQHVLOKHSA-N 436.891 5.861 30 10 IKEE CCCN(CCC)C(=O)COc1ccccc1/C=C/C(=O)c1cc(C(C)(C)C)ccc1C 1874589861 GUXUSFZAKWOAIN-JQIJEIRASA-N 435.608 6.216 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OCC(=O)Nc1cccc(C)c1C 1874595677 YICFYBQPPZHXCH-NTUHNPAUSA-N 449.934 5.879 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1)c1ccc(F)cc1F 1874612017 WZXPOTBFBGLVRO-YCRREMRBSA-N 440.358 5.256 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OCc1c(F)cccc1Cl 1874624969 FZGSFPUYJDOASV-BJMVGYQFSA-N 449.280 6.755 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)cc1C 1874631606 LCNZDHBQPNXYAY-JXMROGBWSA-N 439.324 6.680 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1Cl 1874634213 QFZRERFEWROIDN-CSKARUKUSA-N 441.999 6.189 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(-c3ccccc3)cc2)c1)c1cccc([N+](=O)[O-])c1 1874692684 SMSXSRXJNBKYMT-SFQUDFHCSA-N 449.462 6.377 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1OC(=O)c1cccs1 1874695085 JVVWXAIMJMTRMN-XBXARRHUSA-N 433.312 6.179 30 10 IKEE CCc1ccc(CCC(=O)Oc2cc(/C=C/C(=O)c3ccccc3Cl)ccc2OC)cc1 1874697086 MORVDERILFKGNX-NTCAYCPXSA-N 448.946 6.345 30 10 IKEE O=C(COc1cc(F)ccc1F)Oc1cccc(/C=C/C(=O)c2cccc(Cl)c2)c1 1874699162 HNKZUUYXPQAUKA-JXMROGBWSA-N 428.818 5.499 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(F)c(C)c3)c2)c(OC)c1 1874703687 CFDKTCJBCAUHJS-KPKJPENVSA-N 434.463 5.196 30 10 IKEE CCCOc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(F)c(C)c3)c2)cc1 1874703889 MQWNHJPHUMUSIS-NTEUORMPSA-N 432.491 5.967 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2F)c(Cl)c1)c1ccc2c(c1)CCCC2 1875097403 JKTIKVKWGSMPPJ-UKTHLTGXSA-N 434.894 6.473 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1OC 1875098824 LBNGMKLUSIFLBV-WEVVVXLNSA-N 446.543 5.722 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)cc2OC)cc1 1875099221 WWLIBTQQNXMXPR-MHWRWJLKSA-N 440.539 6.252 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OC(=O)C(C)C 1875105965 VFUPIZKKGZFCMD-JXMROGBWSA-N 433.331 6.188 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)c3ccccc3)c([N+](=O)[O-])c2)cc1C 1875108194 CLYUBFOTQVLNST-PEKVBPLLSA-N 445.471 5.517 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)ccc1OC(=O)c1ccccc1OC 1875109447 OCPPRQNCTRWBKK-JLHYYAGUSA-N 446.499 5.526 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OC 1875110582 RGTSLRJJVFVKKS-JQIJEIRASA-N 428.956 6.901 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)c1cnc(C)cn1 1875122976 QJBZUUNLDRTBAR-FPYGCLRLSA-N 443.286 5.216 30 10 IKEE Cc1ccsc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 1875126645 ROLGCWSGFXSTFJ-KRXBUXKQSA-N 427.865 5.733 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)Cc1ccc(OC)cc1 1875140655 QIAZZEHJQWOIEO-GXDHUFHOSA-N 444.527 5.755 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(C)cc3C)cc2)c1 1875145335 GXTTUNBRFQVYRW-XYOKQWHBSA-N 446.499 5.201 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)cc2OC)cc1 1875169791 SNAMPRARKRRPRH-GXDHUFHOSA-N 442.555 6.607 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OCC 1875174704 DZESLZWKHYYLIH-WYMLVPIESA-N 442.983 7.127 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)Cc1ccccc1[N+](=O)[O-] 1875179066 RBTVOHUPMXPFTH-FMIVXFBMSA-N 445.471 5.264 30 10 IKEE C#Cc1cc(N(C)C(=O)OCC2c3ccccc3-c3ccccc32)cc(C(=O)OC)c1C 1887521118 YGNQQFDPHKYPPZ-UHFFFAOYSA-N 425.484 5.148 30 10 IKEE O=C(NCCOc1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1C(F)(F)F 1889920459 UHHRIZZJPJDMHQ-UHFFFAOYSA-N 445.281 5.552 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CC2(CCCC2)CN1C(=O)OC(C)(C)C 1922116353 PNONOLVCSNKXFG-ZEQRLZLVSA-N 442.644 5.697 30 10 IKEE C=CCC1(NCc2cccc(F)c2Br)CCN(C(=O)OC(C)(C)C)CC1 1924554168 QDRXALBKPLHAKW-UHFFFAOYSA-N 427.358 5.024 30 10 IKEE CC(C)(C)OC(=O)NC1CCC([C@](C)(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)CC1 1940971500 SCDNFRRJHAKFAX-WSNMIEGMSA-N 449.514 5.152 30 10 IKEE C#CCCCCC1(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)CC1 1952074800 LLYONTCTHMGZPE-DEOSSOPVSA-N 431.532 5.342 30 10 IKEE C[C@H](N(Cc1ccccc1)C(=O)OC(C)(C)C)C(C)(C)Oc1cc(C#N)cc(Cl)n1 1986485274 YBSHTDVVWLWPRB-INIZCTEOSA-N 429.948 5.590 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1C[C@](C)(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 2001938718 LNCOZWIEVUAQDV-MGPUTAFESA-N 449.514 5.248 30 10 IKEE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2032560713 ISBBQQRFJRGZFM-XDHUDOTRSA-N 447.551 5.497 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1C(C)(C)[C@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2055761809 BTDICYBTJOTXCL-MPCDZSKCSA-N 441.572 5.356 30 10 IKEE C=C1CC(C[C@@H](NCCC)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)C1 2061657348 PJRFHQZWHMSRFE-SHQCIBLASA-N 442.644 5.555 30 10 IKEE C=CCC[C@H](C)[C@@H](NCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071265150 PAYROKWXPPNPOA-MUAVYFROSA-N 429.604 7.098 30 10 IKEE N#C[C@]1([C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CC=CCC1 2071348084 GLNODQXTSYDBEP-NSOVKSMOSA-N 425.528 6.128 30 10 IKEE CC#CCCC[C@@H](NCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2073663954 DDADSIIOLUOEEP-HHHXNRCGSA-N 427.588 6.689 30 10 IKEE CC1(c2nn([C@@H](c3ccc(C4CC4)cc3)C3CC3)c(I)c2C#N)CC1 2079043323 ZGSUBMKUORKONL-SFHVURJKSA-N 443.332 5.288 30 10 IKEE CCOC(=O)c1c(C2CCC2)nn(Cc2cccc(C(F)(F)F)c2F)c1C(F)(F)F 2079052061 PYHDQSJFBMRTNR-UHFFFAOYSA-N 438.343 5.552 30 10 IKEE CC(C)(C)[C@@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)(F)F)c(C=NO)c1N 2079847209 PDDOOPTVCBVDQS-CYBMUJFWSA-N 426.336 5.086 30 10 IKEE CC(C)(C)c1nn([C@@H](c2ccc(C3CCC3)cc2)C(C)(C)C)c(Br)c1C=NO 2079984013 HHPZNLAOTFSACB-FQEVSTJZSA-N 446.433 6.654 30 10 IKEE N#Cc1c(C2CCOCC2)nn(Cc2ccc(C(F)(F)F)cc2Br)c1Cl 2080296750 AZYUBZVHCYUIKG-UHFFFAOYSA-N 448.670 5.132 30 10 IKEE Fc1nc(-c2c(C(F)(F)F)nn3c(Cl)c4c(nc23)CCCC4)ccc1C(F)(F)F 2081161365 ANICQFDEIGRAHM-UHFFFAOYSA-N 438.734 5.500 30 10 IKEE C=CCCCCCCCCC[C@H](O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2086283340 UUEXDGXYSBRFTO-RPBOFIJWSA-N 447.660 6.544 30 10 IKEE C=CCN(C[C@H](Cc1cccc(C)c1Br)NCCC)C(=O)OC(C)(C)C 2087877556 PVHCYTRWLJAXAB-SFHVURJKSA-N 425.411 5.091 30 10 IKEE CCCC(CS)(CCC)Cn1c(C(C)C)nc(Br)c1Br 2143943645 GOXXGZVXUKYOCE-UHFFFAOYSA-N 426.262 6.048 30 10 IKEE N#Cc1c(F)cc(Br)cc1N[C@@H]1CN(Cc2ccccc2)CC2(CCC2)C1 2163687707 HCUBUWJOBBVTTL-SFHVURJKSA-N 428.349 5.317 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1ncoc1C(F)(F)F 2167873200 UYANAEWADATPTL-LBPRGKRZSA-N 446.223 5.462 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc2c1CN(c1cc(Br)ccc1C#N)CC2 2174816052 ZJHAZIHMFKBWHT-UHFFFAOYSA-N 428.330 5.230 30 10 IKEE Cc1c(NC(=O)OC(C)(C)C)cccc1C(=O)Nc1cc(Br)ccc1C#N 2181136636 JOLGTXCXLHUGQW-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C)(CNc2cc(Br)c(C#N)cc2F)CC1(C)C 2236744032 HDLKHFVAZVYHOM-FQEVSTJZSA-N 440.357 5.297 30 10 IKEE CC#CCCCC[C@H](NC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237412352 OELAIMWMWVBEFJ-PMACEKPBSA-N 437.422 5.057 30 10 IKEE C=C(CC)C[C@@H](NCCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237414345 WGHRMOKSPNBRSZ-WOJBJXKFSA-N 439.438 5.609 30 10 IKEE CC[C@@H](C)N(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2243383902 FZRJPXSBMQKJEZ-OAHLLOKOSA-N 433.810 5.142 30 10 IKEE C=CC[C@@]1(COc2cc(Br)c(Cl)cc2N)CCCN1C(=O)OC(C)(C)C 2272085280 MEOZSXKMWFGEKW-IBGZPJMESA-N 445.785 5.409 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](CNc2c(Br)cccc2C#N)C(F)(F)CC1 2285241865 UESWCFHDIKJHDL-AWEZNQCLSA-N 444.320 5.015 30 10 IKEE CCOc1cc(C=C2C(=O)ON=C2c2ccccc2)ccc1OCc1ccc(Cl)cc1 2293944585 OHUXDFROVCRHAM-UHFFFAOYSA-N 433.891 5.662 30 10 IKEE Cc1cc(C)cc(N=C2NC(=O)C(=Cc3ccc(Sc4nc5ccccc5[nH]4)o3)S2)c1 2294010798 KZIINDMBOKQGRM-UHFFFAOYSA-N 446.557 5.816 30 10 IKEE C=CCN1C(=O)C(=C2Sc3ccccc3N2C)SC1=Nc1cccc2ccccc12 2297707832 PNNFANBSLKXYHM-UHFFFAOYSA-N 429.570 6.000 30 10 IKEE O=C1C(=Cc2c(Cl)cccc2Cl)SC(=Nc2cccnc2)N1C1CCCCC1 2314540282 NDJOFDKPBLMUEG-UHFFFAOYSA-N 432.376 6.325 30 10 IKEE Cc1csc(N=C2SC(=Cc3ccc(C(=O)O)cc3)C(=O)N2C2CCCCC2)n1 2314544207 WHUPUQBREKVCLW-UHFFFAOYSA-N 427.551 5.086 30 10 IKEE Cc1nnc(N=C2SC(=Cc3cccc4ccccc34)C(=O)N2C2CCCCC2)s1 2314548257 RTDHNFWPDWFRTO-UHFFFAOYSA-N 434.590 5.936 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(C(=O)OC)cc1 2321048188 LLCVVKWYCOBXLX-UHFFFAOYSA-N 449.363 5.108 30 10 IKEE C=C(C)CSc1nnc(C)n1N=Cc1ccc(OCCCc2ccccc2)c(OC)c1 2321149730 UHBDPTYRQFRUDJ-UHFFFAOYSA-N 436.581 5.157 30 10 IKEE N#Cc1cccc(N2C(=O)C(=Cc3cccc(OCc4ccccc4)c3)SC2=S)c1 2321629507 DXEPHPOXNPYRND-UHFFFAOYSA-N 428.538 5.543 30 10 IKEE Cc1c(OCc2c(F)cccc2Cl)ccc2c1OC(=Cc1ccc(N(C)C)cc1)C2=O 2321802413 SDZYMOXFUDQTNQ-UHFFFAOYSA-N 437.898 6.049 30 10 IKEE COc1ccc([C@H](C)N2COc3cc(C)c4c(c3C2)OC(=Cc2ccccc2C)C4=O)cc1 2322248840 RAFJEQBTIHJDIT-IBGZPJMESA-N 441.527 5.841 30 10 IKEE O=C(COc1ccccc1C=CC(=O)c1ccc(Cl)cc1Cl)Nc1nccs1 2322379331 ZETAXZNGVRTMOM-UHFFFAOYSA-N 433.316 5.364 30 10 IKEE CCCCCCCCN1COc2c(cc3c(c2C)OC(=Cc2cccc(Cl)c2)C3=O)C1 2322415607 PAZIJKPAULJBMD-UHFFFAOYSA-N 439.983 6.777 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3ccccc3c2C=CC(=O)c2ccccc2)c(C)c1 2322545521 OPRFJMQMQBECRV-UHFFFAOYSA-N 435.523 6.370 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1 2322595983 JCPZVVRNAUUQPF-UHFFFAOYSA-N 431.746 7.430 30 10 IKEE CCCCOc1ccccc1C=NNc1cnn(-c2ccc(Cl)cc2)c(=O)c1Cl 2322609709 MGAMFZPEJKYAQX-UHFFFAOYSA-N 431.323 5.164 30 10 IKEE CCc1ccc(NC(=O)COc2ccccc2C=CC(=O)c2ccc(OC)c(Cl)c2)cc1 2322974856 WWEOYUMNTSOQRR-UHFFFAOYSA-N 449.934 5.825 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccccc2F)cc1Cl 2322979126 XTBKIOLJARVVLW-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccccc2OCc2ccc(Cl)cc2Cl)cc1C 2322981447 VPDQGRSTXUUWSE-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3cc(C)cc(C)c3)c2)cc1 2323094422 GXKRIGUEVXPONY-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(OC(=O)c3c(F)cccc3Cl)c2C)C1=O 2323363092 FPUURPOLKVXFBG-UHFFFAOYSA-N 428.868 5.993 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(CC)cc2)cc(OC)c1OCc1ccc(Cl)cc1 2323481825 ZISUBKWXUIQVOL-UHFFFAOYSA-N 446.974 7.115 30 10 IKEE CCOc1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(C)c2)C3=O)cc1 2323512107 BEBQAFRYUIQNPS-UHFFFAOYSA-N 440.495 5.937 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCc3ccc(C(=O)OCC)o3)cc2)cc1 2323536273 FVSOQYDXACCWSQ-UHFFFAOYSA-N 432.516 6.274 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCC(=O)OCC(C)C)c(Cl)c2)cc1 2323536965 KVKBFHMSWAKTHZ-UHFFFAOYSA-N 428.956 6.157 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)cc(Cl)c1OCc1cccc(F)c1 2323607366 FRUUUPLURHFZMG-UHFFFAOYSA-N 445.317 7.006 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc(Cl)c1 2323683529 DWLUYJIUEGBHDW-UHFFFAOYSA-N 437.879 6.122 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2OCC)C3=O)cc1 2323791880 WIVZGYAVGIWWCN-UHFFFAOYSA-N 444.483 5.628 30 10 IKEE CC1(C)C[C@H]2C[C@@](C)(CN2Cc2c(O)ccc3c2OC(=Cc2ccc4c(c2)OCO4)C3=O)C1 2324097684 VVRPEXPOKLWLQC-CBZJRKILSA-N 447.531 5.138 30 10 IKEE CCCCOC(=O)COc1ccc2c(c1C)OC(=Cc1ccc(Cl)cc1Cl)C2=O 2324295057 VCRORBUAKHYBNK-UHFFFAOYSA-N 435.303 5.640 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1C)OC(=Cc1cccs1)C2=O 2324345780 WQPOXHFPAJSYRC-KRWDZBQOSA-N 447.556 5.950 30 10 IKEE COc1cc(C(=O)C=Cc2ccc(OCc3ccccc3Cl)cc2)c(OC)cc1Cl 2324405733 RUMBCWUHIGYUOA-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE Cc1cccc(OCCCOc2ccc3c(c2C)OC(=Cc2ccccc2Cl)C3=O)c1 2324567663 FUGPTQMPJTYPAB-UHFFFAOYSA-N 434.919 6.421 30 10 IKEE COc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1 2324676977 ADPBZETWVOUHFJ-NRFANRHFSA-N 446.572 6.014 30 10 IKEE Cc1cc(C)c(COc2ccc3c(c2)OC(=Cc2ccccc2Br)C3=O)cc1C 2324762584 RICPWDLVPHFCCW-UHFFFAOYSA-N 449.344 6.570 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccc5ccccc5c4)c3C)C2=O)o1 2324962962 SGRSPEKHIGXKIH-UHFFFAOYSA-N 439.467 5.683 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(OCC(=O)N[C@H](C)c3ccccc3)c2C)C1=O 2325019939 ONRWQSHHIIGIRX-QGZVFWFLSA-N 433.529 5.237 30 10 IKEE Cc1ccc(NC(=O)CCOc2ccc3c(c2C)OC(=Cc2cccc(C)c2)C3=O)cc1 2325232184 PRKVJMJWKHVFNC-UHFFFAOYSA-N 427.500 5.636 30 10 IKEE CCCCCOc1ccc(C=Nn2c(CCC)nnc2SCc2cccc(F)c2)cc1 2325549813 LZKLVMMTNJHRJB-UHFFFAOYSA-N 440.588 6.113 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4nc5ccccc5s4)ccc3C2=O)cc1 2325589937 JYYZPXMSHXGIBD-UHFFFAOYSA-N 442.496 5.238 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1c(OC)ccc2ccccc12 2325604835 SBNZRNHAJVLPEC-UHFFFAOYSA-N 436.968 5.830 30 10 IKEE O=C(C=Cc1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc(N2CCCC2)cc1 2325669558 BNCDJRLPVBZNDP-UHFFFAOYSA-N 426.516 5.087 30 10 IKEE CCCCC1CCC(C(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)CCCC4)c2)CC1 2325701961 NYKUINUUJFKARE-UHFFFAOYSA-N 444.615 7.364 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccccc3Cl)c2)cc1 2325711460 QOMLVFTVPJVJFC-UHFFFAOYSA-N 432.947 6.727 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)CCc3ccccc3)c2)cc1C 2325713734 KZTBFBQYIXCFKV-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4C)cc(C)c3C2=O)cc1 2325714530 IHPHYWJHOKAUCT-UHFFFAOYSA-N 427.500 5.500 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1cccs1)C2=O)Nc1cc(Cl)ccc1Cl 2325724355 PMYCQXHFHDCSNL-UHFFFAOYSA-N 446.311 5.689 30 10 IKEE COc1ccccc1NC(=O)COc1cc(C)c2c(c1)OC(=CC=Cc1ccccc1)C2=O 2325736478 OEFXZIVHBAVTAI-UHFFFAOYSA-N 441.483 5.194 30 10 IKEE COc1ccc(CCC(=O)Oc2cc(C=CC(=O)c3cc(C)ccc3C)ccc2OC)cc1 2325740062 HKGGKEDQKKEDRI-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3ccc(C)c(C)c3)c2)c(OC)c1 2325761413 SQRLTADSAVSSDH-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE CCSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1ccc(CC)cc1 2325972961 LFWMGONPWLCENZ-UHFFFAOYSA-N 429.387 5.188 30 10 IKEE CCCSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1ccc(F)cc1F 2326339689 GXXFGUVTZSKDTK-UHFFFAOYSA-N 444.551 5.515 30 10 IKEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1cccc(OC(C)C)c1 2326513123 YGGOVKDEIQABDK-UHFFFAOYSA-N 435.380 5.855 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1ccc(C(C)(C)C)cc1 2327208101 AVIUQDYVTVTQNC-UHFFFAOYSA-N 448.636 6.056 30 10 IKEE COc1ccc(CCc2nnc(SCc3ccccc3)n2N=Cc2ccccc2)cc1 2328577164 GIVSYIIWRVCKQG-UHFFFAOYSA-N 428.561 5.246 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2cccs2)cc1C 2328791187 FVZNGHOKWOAZME-UHFFFAOYSA-N 434.590 5.710 30 10 IKEE Cc1ccc(C=Nn2c(CCOc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 2329162379 NSRHMQCMITUHCH-UHFFFAOYSA-N 446.551 5.522 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3F)n2N=Cc2cccs2)cc1C 2329423978 VFDAXEWWMJIOJD-UHFFFAOYSA-N 436.581 5.861 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2C)n1N=Cc1ccc(Cl)cc1Cl 2329484489 LPNBZBLKFPWFFJ-UHFFFAOYSA-N 445.419 6.229 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 2330621535 WVQAZTALTAMCMQ-UHFFFAOYSA-N 445.471 5.564 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3sccc3C)c(OC)c2)c1 2330773111 XEBQASSISIHTPC-UHFFFAOYSA-N 442.920 5.842 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(CCCC)cc2)cc(OC)c1OC(=O)C1CCC1 2330848266 OKNFMHMDCZCMSD-UHFFFAOYSA-N 432.560 6.368 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2cccc(C)c2)nnc1[C@@H]1CCCO1 2330951392 CXSQHAMVQZEMOF-QFIPXVFZSA-N 436.581 5.401 30 10 IKEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(C)c(C)c1 2331048510 ROKHQBFDOVBONJ-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE Fc1cccc(CSc2nnc(C(F)(F)F)n2N=Cc2ccc(C(F)(F)F)cc2)c1 2331123217 SGLPAFGLYLRVKZ-UHFFFAOYSA-N 448.367 5.629 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C(F)(F)F)cc1 2331150563 VEAXUYYRUVYHPQ-UHFFFAOYSA-N 438.906 6.248 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1ccc(C=CC(=O)c2ccccc2)cc1[N+](=O)[O-] 2331170337 SVGHQOZJPQZEHF-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 2331198811 TZXYGBVOFRZMDS-UHFFFAOYSA-N 449.434 5.177 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1Cl 2331337327 QYTBAGOHYNUODR-UHFFFAOYSA-N 438.882 5.840 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2sccc2C)c1 2331485150 VYDAHLZXAAIVFI-UHFFFAOYSA-N 439.610 5.145 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)Cc1ccc(Cl)cc1 2331508761 SZJNYPRKUBWESE-UHFFFAOYSA-N 448.946 6.516 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] 2331562397 VTSKVRFSKYVYFT-UHFFFAOYSA-N 445.462 6.425 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)c1cccs1 2331712807 NVOAWAGWXBDLGH-UHFFFAOYSA-N 432.541 6.217 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2OC)ccc1OC(=O)c1ccccc1 2331727093 CANUOGBXLSRQPV-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)cc1C 2331835475 XACPCCFVOOBAOL-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)cc(OC)c1OC(=O)CC 2331869850 CIIPBLZXSJNMSB-UHFFFAOYSA-N 430.500 5.797 30 10 IKEE CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339582428 QEKKSUSBKXDKRO-AWHXWDPHSA-N 446.397 5.187 30 10 IKEE CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccc3ccccc23)C2=C(CC(C)(C)CC2=O)N1 3098417 BBJHERABUHMPPB-RUZDIDTESA-N 429.560 5.930 30 10 IKEE CCOc1cc(/C=N/n2c(S)nnc2C2CCCCC2)ccc1OCc1ccccc1 8921026 MWYDYUNCCQTZRH-PCLIKHOPSA-N 436.581 5.474 30 10 IKEE C=C(C)COc1cccc(NC(=O)c2ccc(OC[C@@H]3CCCO3)c(Br)c2)c1 9925716 KHUYZMWJPSEEDT-IBGZPJMESA-N 446.341 5.214 30 10 IKEE COc1ccc(OCCSc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)cc1 20249557 IMGCTIKUEKRXFJ-UHFFFAOYSA-N 438.552 6.467 30 10 IKEE COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2OC)C3)cc1O 21232073 JJRFZYXJSAOVFY-SOKVYYICSA-N 442.515 5.389 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2c(F)cccc2Cl)cc1 21256809 CIUXSPPMDJEGDB-RDJZCZTQSA-N 427.903 5.272 30 10 IKEE Cc1ccc(-c2cc(-c3ccccc3)nc(S[C@H](C(=O)O)c3ccccc3)c2C#N)cc1 22869111 KEYRBWCAIULCDS-VWLOTQADSA-N 436.536 6.514 30 10 IKEE Cc1ccc(C(=O)/N=C(\NCCc2c[nH]c3ccccc23)Nc2ccc(C(C)C)cc2)cc1 32943362 BQXIHNIKMFFWCD-UHFFFAOYSA-N 438.575 6.040 30 10 IKEE Cc1cc(C)cc(N/C(=N\C(=O)c2ccc(F)cc2)N2CCN(C3CCCCC3)CC2)c1 32946253 DBDGLSZLFWKYKN-UHFFFAOYSA-N 436.575 5.001 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)C)cc2)cc1 35272735 FMVMDSPMJIGIOI-DEOSSOPVSA-N 445.515 5.580 30 10 IKEE C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)nnc1C1CC1 36799979 JXUGSPOWRINCOO-VIFPVBQESA-N 431.776 5.421 30 10 IKEE COc1ccc(/C=C2\S/C(=N/c3cccc(C)n3)N(c3ccccc3)C2=O)cc1OC 39863518 GCVPTWOOMTZJFO-SYUAUQEVSA-N 431.517 5.216 30 10 IKEE C=C(C)C(=O)NCCCCCc1nc2ccccc2n1Cc1ccc(Cl)cc1Cl 40219750 AEYVHSINBWRCGE-UHFFFAOYSA-N 430.379 5.797 30 10 IKEE Cc1c(C(=O)Nc2ccccc2F)oc2c1/C(=N/Nc1cccc(C(F)(F)F)c1)CCC2 40823971 YGFYZGVIBYMEFW-UXHLAJHPSA-N 445.416 6.151 30 10 IKEE C[C@H]1CCc2c(C#N)c(NC(=O)c3sc4ccccc4c3Cl)sc(=S)c2C1 41019226 LJHCEVUJULNTCN-JTQLQIEISA-N 431.007 6.594 30 10 IKEE CCn1cc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3ccco3)C4)C2=O)c2ccccc21 41589090 ZFEQKCILJOBIBN-MSXFZWOLSA-N 440.499 5.531 30 10 IKEE COc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(Cc1ccc(F)cc1)C3 41644938 SFNXYDJERXPKBK-FMCGGJTJSA-N 431.463 5.111 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 100455723 QCAXKNLVOPQUCB-UHFFFAOYSA-N 435.565 6.714 30 10 IKEE O=[N+]([O-])c1cc(Br)c(OCC2(CS)CCCCC2)c(Br)c1 125221082 UBXXCZCVKXDEPK-UHFFFAOYSA-N 439.169 5.379 30 10 IKEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 136192902 BIBJWBBIWYIXEY-LCPUNJGISA-N 447.560 5.079 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\Nc2nc(C(C)C)cc(=O)[nH]2)cc1Cl 169896455 MSNIRUMVOGXLCD-XYGWBWBKSA-N 432.996 6.122 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2cccc(F)c2)c1 169928850 WJRIVAFDDYRCKO-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(Oc3cc(C)cc(C)c3)cc2)NC(=S)N1C 169935274 QVWRLNAXOCFUBH-VWLOTQADSA-N 442.584 6.114 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1)c1c[nH]c2ccccc12 170057690 ZSWFLAFJQIKLFJ-QFIPXVFZSA-N 446.865 5.743 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2c[nH]c3ccccc23)cc1 170074055 IPUMYCRVCFYFGT-HSZRJFAPSA-N 426.447 5.398 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1sccc1C 170106816 SUUGNCAXUHJUIK-LJQANCHMSA-N 439.920 5.501 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@H]1c1ccc(OC)cc1 170116504 NQHKQFHMAWHOSM-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2c2ccccc2)c1 170141811 XVRYPIVWKGMJCZ-XMMPIXPASA-N 425.484 5.103 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@@H]1c1cccc(C)c1 170146630 CIOBDWCBQWOXLT-DEOSSOPVSA-N 435.564 5.896 30 10 IKEE CC(C)c1ccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170150014 IYAMXDXCHOBASB-UHFFFAOYSA-N 425.463 5.217 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccccn2)cc1C 170172968 LXBNHWTWMMMFFB-XMMPIXPASA-N 442.515 5.107 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccncc2)c1 170202728 MTODIRLOBHOKPK-XMMPIXPASA-N 442.515 5.269 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccncc1)c1ccc(Cl)c(Cl)c1 170203405 RJXGJTHYNIWNGB-LJQANCHMSA-N 425.271 5.171 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3cc(C)cc(C)c3OC)=C(O)C(=O)N2C2CCCC2)c1 170218657 HWVXHXRHYZQQIN-QHCPKHFHSA-N 449.547 5.232 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cccc2ccccc12 170221061 CUFHBNWWNFILKG-RUZDIDTESA-N 425.528 5.707 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@@H]1c1ccccc1F 170253071 IAKWQVWFMNIQJG-FQEVSTJZSA-N 431.891 5.256 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc(O)c2)c1 170261761 JYMLKHPRGRZEPL-QHCPKHFHSA-N 435.520 5.090 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)[C@H]2c2ccco2)c1C 170286096 AIRUYZLJDMUFGP-JOCHJYFZSA-N 447.874 6.079 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(Cl)c3)[C@H]2c2ccco2)cc1 170287634 UWWWWRLUEURVDB-LJQANCHMSA-N 428.271 5.678 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(Cl)c3)[C@H]2c2ccco2)c(C)c1 170289422 IRWRHPHAEZUODJ-HXUWFJFHSA-N 442.298 5.986 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2sccc2C)c(C)c1 170313465 NFIBUODKVRDKGG-HXUWFJFHSA-N 437.492 5.296 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(OCCC)c1 170323345 WTQLDNASHORTGC-OAQYLSRUSA-N 427.928 5.507 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccc(C(C)(C)C)cc1 170472113 YZKNUQICOUQMGD-QFIPXVFZSA-N 448.588 6.109 30 10 IKEE C=C[C@H]1OC(C)(C)O[C@H]1C(=O)COC(c1ccccc1)(c1ccccc1)c1ccccc1 224612060 YOYUDDUZWMEVTR-FTJBHMTQSA-N 428.528 5.270 30 10 IKEE CCCCCCCCC[C@H](N)c1cc(Br)ccc1I 232989134 SCAKBANXCNNLKY-INIZCTEOSA-N 438.191 6.194 30 10 IKEE COCCN=c1scc(-c2ccccc2F)n1N=CC(c1ccccc1)c1ccccc1 254594841 XRTQVRFSFKUXPZ-UHFFFAOYSA-N 445.563 5.569 30 10 IKEE CCOc1ccc([C@H]2C(c3cccc(OC)c3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526488494 JTZVNLXGBMZTGY-DEOSSOPVSA-N 426.472 5.023 30 10 IKEE COc1cc([C@@H]2C(c3cccc4ccccc34)=C(O)C(=O)N2c2ccc(C#N)cc2)ccc1O 526492402 WZCWBBRFCHRMKO-AREMUKBSSA-N 448.478 5.483 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2ccc(Cl)cc2)[C@H]1c1ccc([N+](=O)[O-])s1 526606716 NSXQGQRITQQEJE-LJQANCHMSA-N 437.864 5.239 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 526744755 YARJNWHUGWSETQ-OAQYLSRUSA-N 449.293 5.648 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccc(C(C)C)cc1 526808283 KTPLMACYAZROPB-MYYYXRDXSA-N 427.017 6.572 30 10 IKEE CCCCOc1ccc(/C=N\n2c(C)nnc2SCc2c(Cl)cccc2Cl)cc1 526814333 LQPPCSIORTVQJF-CFRMEGHHSA-N 449.407 6.247 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccc([N+](=O)[O-])cc1 526817779 BFMTUSXRARIPNS-FMCGGJTJSA-N 447.923 5.496 30 10 IKEE COc1ccccc1N(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586253402 UWOANNUYCZYUJB-UHFFFAOYSA-N 434.561 5.260 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1ccccc1C1CC1 698403334 CDAPALPIBICFHA-FQEVSTJZSA-N 427.342 6.333 30 10 IKEE CCOc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)cc1 698441574 BHJFBXXFHXCUBO-IBGZPJMESA-N 431.330 5.854 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2cccc(Br)c2F)c1 698480052 YZSRCYPLERHSON-QGZVFWFLSA-N 435.293 5.603 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@](C)(C#N)c1cc(Br)ccc1F 698904862 ZAVXJGLAAXDRKW-HXUWFJFHSA-N 437.284 5.908 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@@H](C#N)c1ccc(Cl)cc1Br 698963282 CWVFOQKVOTUDMW-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE C=CCN(C[C@@H](Cc1ccc(Br)c(F)c1F)NCCC)C(=O)OC(C)(C)C 701317360 HFJHLEZNZXWUEK-OAHLLOKOSA-N 447.364 5.061 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C#N)(N(Cc1ccccc1)C(=O)OC(C)(C)C)C2 709398753 HEWXALKNIAYGKH-PMACEKPBSA-N 441.572 5.248 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C#N)(CCOc1ccc(Br)cc1)C2 712805832 KDHDQPRRSVPFMZ-IRXDYDNUSA-N 435.362 5.290 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 724019508 JPZIKGAWCZXVJM-DVECYGJZSA-N 429.561 5.153 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(Br)cc3)n2)cc1 920143534 RFYJNRXLFPAAST-QGZVFWFLSA-N 427.323 5.000 30 10 IKEE CC(C)(C)c1ccc(/C=C2/S/C(=N/N=C/c3ccccc3)N(Cc3ccco3)C2=O)cc1 1615300603 RGSJONOTLGJETO-FSRMAIEVSA-N 443.572 6.084 30 10 IKEE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNc2ccccc2)CC(C)(C)C3)cc1Cl 1772729642 YWHFSFXEJWCFIX-UHFFFAOYSA-N 435.955 6.591 30 10 IKEE C/C(=C1/SC(=Nc2nnc(C)s2)N(C2CCCCC2)C1=O)c1ccc([N+](=O)[O-])cc1 1772734500 CGSVOWPIBSQQQF-VTPWGRHDSA-N 443.554 5.082 30 10 IKEE CCN1C(=O)/C(=C(/C)c2ccc(Br)cc2)SC1=Nc1ccncc1Cl 1772739050 XQFSYHVUHQIVRZ-JUVBEIPNSA-N 436.762 5.512 30 10 IKEE CC(=C\c1ccccc1)/C=C1/SC(=NN=Cc2ccccc2F)N(Cc2ccco2)C1=O 1772758868 GKGGPHXJSSIQFI-CXRPZPFUSA-N 445.519 5.872 30 10 IKEE CCCCCCCCCCn1cc(O[C@@H](C)C(=O)OCCC(C)C)c(=O)cc1C(=O)O 1857891190 PYDQHXXQRWBBKA-IBGZPJMESA-N 437.577 5.044 30 10 IKEE CCc1ccc(-c2cc(C(=O)Nc3ccccc3C#N)nn2-c2ccc(Cl)cc2)cc1 1859398064 FQMONHMPBPHBSC-UHFFFAOYSA-N 426.907 5.879 30 10 IKEE N#Cc1c(NC(=O)Cc2ccc3oc(-c4ccc(Cl)cc4)nc3c2)sc2c1CCC2 1859486890 WZAPQHGKSNVPKP-UHFFFAOYSA-N 433.920 5.751 30 10 IKEE N#Cc1cccc(C(=O)Nc2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2Cl)c1 1860461470 BIMMXKGAHBRDDV-UHFFFAOYSA-N 443.812 5.735 30 10 IKEE CCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)c1c(Cl)ccc(Cl)c1Cl 1861150879 WVFZAOFWEYIFLF-INIZCTEOSA-N 433.807 5.728 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1cccc(OC)c1 1862385216 JXLRGHFEMQLSSJ-FQEVSTJZSA-N 448.346 5.771 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@H]2c2cccc(F)c2)c1 1862431612 KTVLFELIXBPJBD-HSZRJFAPSA-N 449.909 5.874 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1c(F)cccc1Cl 1862435163 PLHYCZRGAWJAQC-LJQANCHMSA-N 436.310 5.901 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccc(O)cc2)c1 1862442710 KPFWCLNXFXOXEZ-JOCHJYFZSA-N 433.891 5.133 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(Cl)c(Cl)c1 1862468065 YIRALUGYYBWKEU-QGZVFWFLSA-N 442.220 5.175 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCCC)cc1 1862509373 GKNVJSQVMBBUQF-QHCPKHFHSA-N 439.527 5.691 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@H]2c2ccc(F)cc2)cc1 1862530691 WCHPRWSQPOYUFO-QHCPKHFHSA-N 449.909 5.820 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccc(Cl)cc2)cc1 1862556001 MUEBHBPFRYEYOJ-QHCPKHFHSA-N 446.934 5.263 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(OCCC)cc1 1862597226 TTWKCXSWQVNHNT-HSZRJFAPSA-N 437.536 5.340 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2Cc2ccco2)c1 1862613726 NTNGLEOCELPFMQ-HSZRJFAPSA-N 429.516 5.664 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CC2)cc1 1862670981 GXSDPGHDCXGMPH-VWLOTQADSA-N 447.575 6.120 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccccc2Cl)cc1 1862675021 ZWSHCZBEHPQYSX-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)c1 1862705990 KXPNDMKAFMEGIE-FQEVSTJZSA-N 448.346 5.626 30 10 IKEE Cc1ccc(C2=C(Nc3ccc4ccccc4c3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1C 1862880042 SFJAAHHDRBDFSU-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE Cc1ccc(Cl)cc1NC1=C(c2ccccc2Cl)C(=O)N(c2cccc(C#N)c2)C1=O 1863076195 BEWPLBDFBQBNKU-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE CCCCCCCCN1C(=O)C(NCCc2ccc(F)cc2)=C(c2ccc(C)cc2)C1=O 1863621553 QRXGWBQMGDRAFL-UHFFFAOYSA-N 436.571 5.407 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N[C@H](C)c1ccc(OC)c(OC)c1 1866029402 BWPNXEXZAXEJNN-XMMPIXPASA-N 447.704 8.143 30 10 IKEE CCCC[C@H](NC(=O)C[C@@H](c1ccc(F)c(C)c1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866768821 YIKDXYJCXZIRNY-VWNXMTODSA-N 437.559 5.449 30 10 IKEE N#Cc1nnn(-c2ccc(Cc3ccccc3)cc2)c1NC(=O)c1ccc2ccccc2c1 1870147455 QILPBIXYTUIETR-UHFFFAOYSA-N 429.483 5.135 30 10 IKEE CCCCOc1ccc(C(=O)Nc2c(C#N)nnn2-c2ccccc2C(C)C)cc1OCC 1870153222 IBXHIWGYAKERNW-UHFFFAOYSA-N 447.539 5.092 30 10 IKEE CC(C)Cn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSc1ccc(Cl)cc1 1870233144 CEVAOEQUBRGMOU-UHFFFAOYSA-N 438.980 5.901 30 10 IKEE CCCCCCCOc1cn(C[C@@H](C)O)c(CN(CCCC)CCCCCC)cc1=O 1870412645 FUWPOLKBXPACMZ-HSZRJFAPSA-N 436.681 5.761 30 10 IKEE C=CCOc1cn(Cc2ccc(C)cc2)c(CNc2cc(Cl)cc(Cl)c2)cc1=O 1870813831 GEDOETAKUBEGGR-UHFFFAOYSA-N 429.347 5.689 30 10 IKEE CCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CNc1cccc(OC)c1 1871258354 RCYTWPPUVXLGML-UHFFFAOYSA-N 428.617 6.254 30 10 IKEE COc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(Cc1ccccc1F)C3 1871347048 UOWOXWRBHQQOHQ-FMCGGJTJSA-N 431.463 5.111 30 10 IKEE CC(C)(C)c1ccc(/C=C2\Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc3C2=O)cc1 1871371103 MOOCZNSTFGFHJW-UCQKPKSFSA-N 443.455 5.728 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O)c1ccc(-n2cccc2)cc1 1871384177 KUMLATXURWCBMG-IWIPYMOSSA-N 441.870 5.966 30 10 IKEE Cc1cccc(OCCCCOc2cc(C)c3c(c2)O/C(=C\c2ccccc2F)C3=O)c1 1871403217 GKDGMKDBRGHLFO-XYGWBWBKSA-N 432.491 6.297 30 10 IKEE Cc1ccc(NC(=O)CCOc2ccc3c(c2C)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871432481 HHKOPXPXHDASBB-HAHDFKILSA-N 447.918 5.981 30 10 IKEE COc1ccc(CCOc2cc(C)c3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1 1871448511 SEWXERBPYKDAJN-UCQKPKSFSA-N 431.444 5.150 30 10 IKEE CC(C)Oc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 1872760579 RUZACLXTPLWJHV-HSZRJFAPSA-N 426.541 6.169 30 10 IKEE COc1cccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)c1 1872762850 XZLWTTHWLDPAJZ-BLLLJJGKSA-N 447.343 5.769 30 10 IKEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(Br)cc3)n2)c(C)c1 1872769613 WPSPVAVXNZIMTQ-SFHVURJKSA-N 425.351 5.608 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@H](C#N)C(=O)CCCOc2c(C)cccc2C)n1 1872780428 IBXILFKPDNJWHG-OAQYLSRUSA-N 448.588 6.088 30 10 IKEE N#C[C@H](C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872787139 BPTFFDRDDBCQJF-ILNGBFOMSA-N 444.299 5.915 30 10 IKEE CCCCCCCCNC(=O)c1ccc2nc(CCCOc3ccccc3Cl)[nH]c2c1 1872807710 AYJQTEHVUBMGDK-UHFFFAOYSA-N 442.003 6.318 30 10 IKEE CCCCCCCCN1C(=O)C(NC2CCCC2)=C(c2cccc(Cl)c2Cl)C1=O 1873125656 HRNRZHMONFXAFD-UHFFFAOYSA-N 437.411 5.966 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H](C)CC)=C(c2cccc(Cl)c2Cl)C1=O 1873128902 WAJAQFFOIXQANP-HNNXBMFYSA-N 425.400 5.822 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1ccccn1 1874204109 JYTZWVUAGYYPEI-AUEPDCJTSA-N 434.352 5.109 30 10 IKEE CCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccc(F)cc1F 1874215618 BPSNITQCHHJAFY-ZMOGYAJESA-N 436.915 5.216 30 10 IKEE CCSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1ccc(C(C)C)cc1 1874225629 UVIVGWHUINVBKB-YZSQISJMSA-N 436.625 6.024 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1c[nH]c2ccccc12 1874250236 YGLKLNZVPWFTIU-YZSQISJMSA-N 433.581 5.464 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccccc3Cl)n2/N=C/c2ccccn2)c1 1874266384 UZBVWJWQDGWYSA-VULFUBBASA-N 449.967 5.388 30 10 IKEE CCOc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2ccco2)cc1 1874303460 ZXCCFFVQNBKNOS-XIEYBQDHSA-N 432.549 5.078 30 10 IKEE Fc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2cccc(F)c2)cc1 1874380929 SCTXDLPEQQVSLC-WPWMEQJKSA-N 434.515 5.364 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2cccc(F)c2)cc1 1874387438 NEPKBTOKODLDHK-JVWAILMASA-N 430.552 5.799 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCCCO)n1/N=C/c1ccc(Cl)c(Cl)c1 1874401446 NTOQRZVOJSXSRC-JMKVTYIUSA-N 435.380 5.093 30 10 IKEE Cc1ccc(CSc2nnc(C(F)(F)F)n2/N=C/c2ccc(Cl)c(Cl)c2)cc1 1874458963 PBLHJZLSVZLOSV-PGGKNCGUSA-N 445.297 6.087 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccco3)n2/N=C/c2cn(C)c3ccccc23)c1 1874467010 NSSOEUKVZDDRMX-VULFUBBASA-N 441.560 5.821 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(SCc2ccc(F)cc2)nnc1C(C)(C)C 1874483708 ITIKNXJRTTXGRZ-JFLMPSFJSA-N 448.567 6.051 30 10 IKEE Brc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2C2CCC2)cc1 1874496063 TYZORJHFWTYTIY-HZHRSRAPSA-N 441.398 5.525 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CCC)nnc2SCc2ccc(F)cc2)cc1 1874504063 INZKYLVZUVTFPH-PCLIKHOPSA-N 426.561 5.723 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2c(OCc3cccc(F)c3)ccc3ccccc23)cc1 1874577883 KFPHZLDCTAADGU-FOCLMDBBSA-N 426.487 6.853 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccccc1OCC(=O)Nc1ccc(C)cc1 1874588854 IMXOCHNBZYKGGR-JLHYYAGUSA-N 449.934 5.879 30 10 IKEE CCc1ccccc1NC(=O)COc1cccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1 1874593163 VXJQJHBHETUOPZ-BUHFOSPRSA-N 430.460 5.071 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3c(Cl)cccc3Cl)c2)cc1 1874594209 YIDYMAXVLGOEAG-UKTHLTGXSA-N 441.354 7.040 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1 1874605407 YLTMVKYTLJERLS-OQLLNIDSSA-N 429.516 5.480 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OCc1ccc(Cl)cc1Cl 1874608513 SAOUWERNQKMFRK-UXBLZVDNSA-N 447.745 7.131 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(OC)c1OCc1ccccc1C 1874613523 YXUKAOOYOXRNSZ-BUHFOSPRSA-N 432.947 6.861 30 10 IKEE C[C@H](NC(=O)COc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1)c1ccccc1 1874623504 GFZUNBVGXKVVDW-HCUHUEOSSA-N 435.523 5.992 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OCC(=O)NCc1ccccc1 1874624880 APXXXDAWUAHMSZ-OQLLNIDSSA-N 443.543 5.410 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OCc1c(F)cccc1Cl 1874627860 ZXLIQPSPGICRJS-UXBLZVDNSA-N 446.852 6.631 30 10 IKEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3c(C)cc(C)cc3C)cc2[N+](=O)[O-])o1 1874635090 GGLWHJZSXDMMIM-VMPITWQZSA-N 449.459 5.375 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1)c1ccccc1Cl 1874696598 HXHXPLKLQDLZGM-DHZHZOJOSA-N 442.254 6.017 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2cc(/C=C/C(=O)c3ccc(C)cc3)ccc2OC)c1 1874703075 XXDVVJUEBAUERD-YRNVUSSQSA-N 432.472 5.136 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2cc(C)ccc2C)cc1OC(=O)C(C)C 1874703349 LNKMNMXKXUGHQJ-CMDGGOBGSA-N 431.326 5.532 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OC(=O)CCCOc1ccccc1 1874704096 WRYNIDYUYTWDIW-GXDHUFHOSA-N 448.490 5.803 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(C)cc3)c2)cc1C(C)C 1874710791 JLFDABUBLOPCAS-BUHFOSPRSA-N 442.555 6.480 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(C)cc2C)CSc2nnc(CCCC)n21 1874899930 PFBDOIHQTNDBSB-QFIPXVFZSA-N 442.673 6.300 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc(Cl)ccc3Cl)cc2)cc1 1875112391 GKGMLDURBXVQGP-YIXHJXPBSA-N 427.283 6.117 30 10 IKEE O=C(COc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1Cl 1875113710 UMLDJZPWPFNHLI-ZRDIBKRKSA-N 427.283 5.874 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)c1ccncc1 1875120471 VLXHXJYKKBDOIB-GORDUTHDSA-N 429.806 5.137 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC(=O)c1cccc2ccccc12 1875122005 DNIRBVAINZKEOO-UKTHLTGXSA-N 444.433 6.242 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)C(F)(F)F 1875157229 TYIRIJDHVOHIFA-KPKJPENVSA-N 432.438 5.911 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2OC)c1 1875179062 QXCOCXTXYFSWLP-JXMROGBWSA-N 446.499 5.445 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3c(C)cc(C)cc3C)cc2)cc1OC 1875182884 ZOVCHZLKTVBJCS-XYOKQWHBSA-N 444.527 5.673 30 10 IKEE C=C(F)C[C@@H](NCCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875670950 GPHAPBQPDOGJSO-LEAFIULHSA-N 449.566 6.120 30 10 IKEE N#C[C@]1([C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCCOCC1 1875689862 MUPAMVRSLUBGIG-NSOVKSMOSA-N 443.543 5.588 30 10 IKEE CC1(C)OB([C@]23C[C@@H]2CCN(Cc2cc(Cl)cc(Br)c2)C3)OC1(C)C 1879796594 VSLVTWRCKOSERR-LIRRHRJNSA-N 426.591 5.161 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3sc4ccccc4c3Cl)cc21 1890677174 ICJWYAYOUMTPME-UHFFFAOYSA-N 440.952 5.745 30 10 IKEE O=C(CCc1ccc(Cl)cc1Cl)NCC#CCOc1cccc(C(F)(F)F)c1 1891124557 FWLKFDJICOJTQZ-UHFFFAOYSA-N 430.253 5.143 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Cl)cc1Br 1898036184 RAZJAQUNLXPCDU-MSOLQXFVSA-N 443.813 5.450 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1csc([C@H](C)NC(=O)OC(C)(C)C)n1 1922086277 OVBIPPYYQJZEPL-RXVVDRJESA-N 445.629 5.543 30 10 IKEE CCCCCCC[C@H](NCC)c1c(Br)sc(Br)c1Cl 1923038399 IZEXBJRVMHLWCS-JTQLQIEISA-N 431.665 6.938 30 10 IKEE C[C@@H](S)CCC(=O)Nc1cc(Br)c(Br)c(Br)c1 1946433173 UCXGMQKVKUITRG-ZCFIWIBFSA-N 446.002 5.011 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)C[C@H]1C1CC1 2018416145 DMVDVSAWUCWNQU-YADARESESA-N 433.593 5.238 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@](C#N)(N(C(=O)OC(C)(C)C)C3CCCCCC3)C[C@H]2C1 2040979269 YQVXVIJFUCPHST-HBNMSFMJSA-N 447.620 5.486 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCCN(Cc2ccccc2)C1 2050133247 JFGAIRBCRXAVPY-SANMLTNESA-N 435.568 5.385 30 10 IKEE CCOc1cc(C=CC(=O)c2cc3ccccc3o2)ccc1OCCOc1ccc(F)cc1 2053612695 LTYYKTPGFCIJRD-UHFFFAOYSA-N 446.474 6.325 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3)cc2C=CC(=O)c2cc(OC)ccc2OC)cc1 2053612774 NVQIHOXUVYTHOU-UHFFFAOYSA-N 440.499 5.461 30 10 IKEE Cc1cccc(-c2cc(C=Cc3ccc4c(c3)OCCO4)c(C#N)c3nc4ccccc4n23)c1 2053621372 DTAVOZYLINOMNV-UHFFFAOYSA-N 443.506 6.276 30 10 IKEE CCCN[C@]1(C#N)CCC[C@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)[C@@H]1C 2055575947 ZVXCTENUPSKZDP-WIRXVTQYSA-N 432.656 5.071 30 10 IKEE CC(C)(C)OC(=O)N[C@@]1(C(=O)C2=CC[C@@H](C(C)(C)C)CC2)CCN(Cc2ccccc2)C1 2061119218 NLTKCNCKOLMJOM-AMGIVPHBSA-N 440.628 5.498 30 10 IKEE Cc1ccc([C@@H](C(C)C)n2nc(C(C)C)c(/C=N/O)c2I)cc1C 2079102542 QYCWCOVEZWUVMG-VMHWHBCQSA-N 439.341 5.281 30 10 IKEE Fc1cc(-c2c(C(F)(F)F)nn3c(Cl)c4c(nc23)CSC4)cc(C(F)(F)F)c1 2081513407 AMRBPLQEASSIQD-UHFFFAOYSA-N 441.759 5.973 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCC[C@H]2CSC[C@@H]21 2087832668 ABQQKHARFNWUNW-AVYPCKFXSA-N 437.403 5.616 30 10 IKEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(Cl)cc(Br)c1 2088228389 VHKHRPHLLOVWNI-QGZVFWFLSA-N 444.801 5.246 30 10 IKEE CC(C)[C@H](C)N(Cc1ccccc1)c1ncc(C(F)(F)F)cc1B1OC(C)(C)C(C)(C)O1 2116140663 PNFXVLBTGJNAGE-KRWDZBQOSA-N 448.338 5.451 30 10 IKEE C=CCCCC[C@@H](NCCC)[C@H](O)c1scc(Br)c1Br 2179675882 AWVLTVOEUDEOBF-OCCSQVGLSA-N 425.230 5.421 30 10 IKEE CCC(C)(C)N(CCC#N)C(=O)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2181047168 NJRLNZUTPDRCHJ-UHFFFAOYSA-N 438.366 5.341 30 10 IKEE Cc1c(NC(=O)OC(C)(C)C)cccc1C(=O)Nc1ccc(C#N)c(Br)c1 2181138311 ZQRVPUHJSATZKK-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(F)c(C(=O)Nc2ccc(Br)cc2C#N)c1 2181144596 WHLVDUHZHPKUBZ-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE N#Cc1cc(F)c(Oc2ccc(Cl)c(Cl)c2Br)cc1Br 2206354900 RVCHKRPCXNPMRN-UHFFFAOYSA-N 439.893 6.321 30 10 IKEE CCN[C@@H](C#CP(C)(C)=O)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2218429596 YCQDTMWUUKRYSL-HNNXBMFYSA-N 429.295 5.030 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCC)c2c(F)cc(F)cc2Br)C1 2233951151 QGJFKFBZJRKTND-KRWDZBQOSA-N 445.348 5.239 30 10 IKEE C=CCCC1([C@H](O)Cc2ccc(Cl)cc2Br)CN(C(=O)OC(C)(C)C)C1 2266311721 CIFIKTOQKPWXFY-QGZVFWFLSA-N 444.797 5.209 30 10 IKEE CCOC(=O)C1=C(Nc2ccc(C)cc2)SC(=Cc2ccc(Cl)c(Cl)c2)C1=O 2293320779 DIVLXFWHENWOGG-UHFFFAOYSA-N 434.344 5.845 30 10 IKEE COC(=O)C1=C(Nc2cccc3ccccc23)SC(=Cc2ccc(OC)cc2OC)C1=O 2294017426 NVIOQNKVSHRVGS-UHFFFAOYSA-N 447.512 5.011 30 10 IKEE CCN1C(=C2SC(=Nc3ccccc3)N(c3ccc(F)cc3)C2=O)Sc2ccccc21 2295196045 OBWRFYOVKSJAFR-UHFFFAOYSA-N 447.560 6.395 30 10 IKEE CN[C@@H](C#Cc1cccc(Br)c1)CC1(NC(=O)OC(C)(C)C)CCCCC1 2296217564 VZCPMQTVESLLBW-IBGZPJMESA-N 435.406 5.006 30 10 IKEE CC(C)(C)OC(=O)NC[C@H](CC1CCCC1)C(=O)C#Cc1cccc(Br)c1 2296224176 HSQOHFLANPZGFK-SFHVURJKSA-N 434.374 5.091 30 10 IKEE CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(Sc3ccccc3)o2)C1=O 2297315802 LVCGAFLGEIVVCB-UHFFFAOYSA-N 449.553 5.974 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc3C2=O)cc1 2297316781 UFJCBLHJHZPKRF-UHFFFAOYSA-N 428.484 5.828 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@@H](C#N)[C@]1(C)CCCCN1C(=O)OC(C)(C)C 2302519495 LXOSMVZEZJFQKG-CYFREDJKSA-N 429.561 5.500 30 10 IKEE Cc1cc(OCc2ccc(Cl)c(Cl)c2)cc2c1C(=O)C(=Cc1ccccc1Cl)O2 2321787465 QRJGCYLTCYWYKI-UHFFFAOYSA-N 445.729 7.150 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1cccs1)O3)CN(C13CC4CC(CC(C4)C1)C3)CO2 2322238602 OHEQQUCHLJBBQG-UHFFFAOYSA-N 433.573 5.793 30 10 IKEE COc1cccc(C=CC(=O)c2ccc3c(c2)CCCC3)c1OCC(=O)NC1CCCCC1 2322339178 QMIDUDNMEDMONC-UHFFFAOYSA-N 447.575 5.298 30 10 IKEE CCc1ccc(C(=O)C=Cc2c(OCC(=O)NC3CCCCC3)ccc3ccccc23)cc1 2322353602 RDHYJYFWFZNJKN-UHFFFAOYSA-N 441.571 6.126 30 10 IKEE CCN(CC)CCCCN1COc2c(cc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)C1 2322388146 ZNEOLHZPSFJHME-UHFFFAOYSA-N 438.543 5.024 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccccc2F)cc1 2322391403 MMPFDGBPTBNWKY-UHFFFAOYSA-N 431.507 6.082 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCc3ccccc3Cl)ccc3ccccc23)cc1 2322450113 JEXXVNKZLUHYNB-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cc(Cl)ccc1OCc1ccccc1C 2322926549 GOCVMEHNNISRLZ-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE Cc1ccc(COc2ccc(Cl)cc2C=CC(=O)c2cc(Cl)ccc2Cl)cc1 2323002968 FBKVQBZITSBUJT-UHFFFAOYSA-N 431.746 7.430 30 10 IKEE Cc1c(OC(=O)CCc2ccc(Cl)cc2)ccc2c1OC(=CC=Cc1ccccc1)C2=O 2323114505 QOYRAMDNVHQWKC-UHFFFAOYSA-N 444.914 6.359 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(C=CC(=O)c3ccc4c(c3)CCCC4)cc2)c1 2323419608 BNCDEHNYVILJHD-UHFFFAOYSA-N 425.528 5.787 30 10 IKEE COc1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2C)C3=O)cc1 2323424189 BNZNPSOWKWEDJK-UHFFFAOYSA-N 426.468 5.547 30 10 IKEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=CC=Cc2ccccc2)C3=O)c(OC)c1 2323777623 MGBMQERTANFRFS-UHFFFAOYSA-N 442.467 5.404 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OCC(=O)Nc1ccc(CC)cc1 2323813839 HPPKZVKQUNUZIS-UHFFFAOYSA-N 429.516 5.561 30 10 IKEE CCCN(CCC)Cc1c(O)ccc2c1OC(=Cc1ccc(Br)cc1)C2=O 2324091298 AWVKEAMOYLBICD-UHFFFAOYSA-N 430.342 5.393 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(OC)c1OCc1cccc(Cl)c1 2324241306 UXOKHGBSEHWPTC-UHFFFAOYSA-N 444.861 6.111 30 10 IKEE C=C(C)COc1c(Cl)cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC 2324261726 MGKMTVFYYLPZKD-UHFFFAOYSA-N 428.956 6.640 30 10 IKEE COc1cccc(C=C2Oc3cc(OCc4ccc(C#N)cc4)cc(C)c3C2=O)c1OC 2324756990 JCRKEKHCUOWHQM-UHFFFAOYSA-N 427.456 5.079 30 10 IKEE CCCCCCCCCCOC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccco1)C2=O 2325045530 UFPQXURKQCANQR-UHFFFAOYSA-N 440.536 6.267 30 10 IKEE O=C(C=Cc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2325631110 FTKZWYKUNFLTIJ-UHFFFAOYSA-N 433.169 5.141 30 10 IKEE Cc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(Cl)cc1Cl 2325631591 DSFZJLWZXABRDN-UHFFFAOYSA-N 427.360 6.221 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1OC(=O)c1cccc(C)c1 2325701212 QUSCVMLNUMSHTC-UHFFFAOYSA-N 426.512 5.998 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccccc2-c2ccccc2)c1)c1ccc(F)cc1F 2325726235 IQRPIIHINRATIY-UHFFFAOYSA-N 440.445 6.747 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCC(=O)Nc4c(C)cc(C)cc4C)ccc3C2=O)c1 2325736672 SBEAGNRKYAYSMM-UHFFFAOYSA-N 427.500 5.554 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccccc3F)c2)cc1F 2325747840 ZSRFVVGJIOBHJV-UHFFFAOYSA-N 438.426 5.026 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)c2ccc(F)cc2)c1 2325756014 BUHDCZKEVNAIFE-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE CCCCCOc1ccc(C=Nn2c(C)nnc2SCc2ccc(Cl)cc2)cc1 2326350440 FZVJVJLGPPCDQY-UHFFFAOYSA-N 428.989 5.983 30 10 IKEE COc1c(Cl)cc(C=Nn2c(C)nnc2SCc2ccc(C)cc2C)cc1Cl 2326433286 WUGOFQGNGJURDK-UHFFFAOYSA-N 435.380 5.693 30 10 IKEE CCOc1cccc(C=Nn2c(COc3ccc(Cl)c(C)c3)nnc2SCC)c1 2326519882 UWQPWNQXWFWSNM-UHFFFAOYSA-N 430.961 5.212 30 10 IKEE CCOc1ccc(OCc2nnc(SCc3cccc(C)c3)n2N=Cc2ccco2)cc1 2326639555 LHCCBNMFPKPBCV-UHFFFAOYSA-N 448.548 5.332 30 10 IKEE C=C(C)CSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(F)cc1F 2327744783 YMAVESURNFGJBN-UHFFFAOYSA-N 434.515 5.851 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2cccc(F)c2)cc1C 2329395556 AJGPBPUIOLEHGL-UHFFFAOYSA-N 444.579 6.108 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccccc3C)nnc2[C@H](C)c2ccccc2)c1 2330056536 YKONTWYFKXOPSX-HXUWFJFHSA-N 442.588 5.921 30 10 IKEE Cc1ccc(C=Nn2c(Cc3cccs3)nnc2SCc2cc(C)ccc2C)cc1 2330393633 BFCKVPMOFXYBKQ-UHFFFAOYSA-N 432.618 6.030 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OC(=O)C(F)(F)F 2330635054 XSKXIOYPKQUJTP-UHFFFAOYSA-N 443.761 5.011 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccccc3)n2N=Cc2cccc3ccccc23)c1 2330672862 AYPMZGZTZRWLEA-UHFFFAOYSA-N 448.595 6.890 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(OC)c1OC(=O)CCCC 2330674914 BDDNRQWKJGHOGK-UHFFFAOYSA-N 428.528 6.569 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(CC(C)(C)C)n2N=Cc2ccccc2)c1C 2330808154 TZTIHRHYPKQLQE-UHFFFAOYSA-N 435.597 5.097 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(C(C)(C)C)cc1 2330814688 XTIZFXUSKHROBF-UHFFFAOYSA-N 438.616 6.478 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccc(C)c(C)c3)c(OC)c2)cc1 2330990188 UEWGDJYECUUFBH-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)c2cc(Cl)ccc2Cl)cc1 2331051352 CWSYEOJAKBSZBK-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2cc(C)ccc2C)nnc1C(F)(F)F 2331138356 VANUCXSNUFJAFW-UHFFFAOYSA-N 448.514 5.877 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2-c2ccco2)cc1 2331175916 UOXLUQWLYXTPIM-UHFFFAOYSA-N 449.555 5.698 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3cc(C)c(Cl)c(C)c3)cc2)c(C)c1 2331216037 TXKOMDVOOGWFHZ-UHFFFAOYSA-N 448.946 6.454 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2Cl)c1 2331319495 APIACRBHRQXKOR-UHFFFAOYSA-N 432.947 6.618 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc([N+](=O)[O-])c1OC(=O)CC(C)C 2331324516 KCPHAWDHRWWKCQ-UHFFFAOYSA-N 425.481 5.458 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)cc(Cl)c1OC(=O)CC(C)C 2331402123 QWWTVQDUSLJNPS-UHFFFAOYSA-N 444.911 5.358 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)cc(Cl)c1OC(=O)c1ccco1 2331467082 CPPGBRLDBZWADX-UHFFFAOYSA-N 432.859 6.210 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)cc(OC)c1OC(=O)c1cccs1 2331471081 LOOXCSUEXQUMCY-UHFFFAOYSA-N 444.508 6.034 30 10 IKEE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2)cc1 2331512746 LQUCYPOVHVNOND-IBGZPJMESA-N 432.491 6.218 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)c(F)c2)c([N+](=O)[O-])c1)c1ccc(F)cc1 2331530143 DFTUOMKBXZIHSF-UHFFFAOYSA-N 427.334 5.127 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)c1ccccc1 2331562853 NZMJEJCIWQLJEK-UHFFFAOYSA-N 442.845 6.132 30 10 IKEE Cc1cc(CNc2cc(Br)ccc2Cl)ccc1B1OC(C)(C)C(C)(C)O1 2369613800 RMGFOZIIOJDRLF-UHFFFAOYSA-N 436.586 5.322 30 10 IKEE CC(C)(C)OC(=O)Nc1nc2cc(Nc3cc(Br)ccc3C#N)ccc2s1 2382206571 SDYMGLPFTVCESI-UHFFFAOYSA-N 445.342 6.021 30 10 IKEE COc1ccc(C(=O)COc2ccc3c(c2)O/C(=C/c2ccc(C(C)(C)C)cc2)C3=O)cc1 2441588 ZQCKZNUOEYLLMP-CVKSISIWSA-N 442.511 5.871 30 10 IKEE CCc1ccc(NC(=S)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1 3041870 LMWYVPLPLZDIFH-QYQHSDTDSA-N 448.979 5.140 30 10 IKEE COc1ccc(/C=N/c2ccc(/N=C/c3ccc(OC)c4ccccc34)cc2)c2ccccc12 3196993 TUNVCHIHAYMPMF-GKTLAHRSSA-N 444.534 7.511 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccs2)cc1OC 20882018 YSLQKNSPWOPWCF-QLXKLKPCSA-N 446.572 6.135 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(O[C@@H](C)CC)cc2)cc1 20884472 YCNRAJRIUCOYCI-NSXLHWASSA-N 447.575 5.657 30 10 IKEE CC(C)Oc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(O)cc2)cc1 21220187 GTSVZGFFFFKFHC-WTYVLRPYSA-N 440.543 6.159 30 10 IKEE COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2[N+](=O)[O-])c1 21225311 XPQWYQKWEFHHNF-QLXKLKPCSA-N 441.487 5.583 30 10 IKEE COc1cccc(COc2ccc3c(c2)O/C(=C\c2ccc(Br)cc2)C3=O)c1 33514092 UZHWEMFCBYGIIZ-UUYOSTAYSA-N 437.289 5.653 30 10 IKEE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/Nc2oc(C)nc2C#N)cc1C 33959149 RCISVOYFGKKUHP-JFLMPSFJSA-N 438.491 5.027 30 10 IKEE O=C(/C=C/c1c(Cl)cccc1Cl)c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 34954147 OEUFCRMHVAJTDG-OUKQBFOZSA-N 431.702 6.762 30 10 IKEE C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CNCC[C@H](c4ccc(C)cc4)c4ccco4)[C@@H]3C[C@H]12 35779946 NWVOLYRDQMXQQP-PCAIHVLPSA-N 447.619 6.014 30 10 IKEE biogenic CCn1cc(/C=C2\Oc3cc(OC(=O)c4cccc(C)c4)cc(C)c3C2=O)c2ccccc21 41355277 IAXKKQVOIWGRQJ-QFEZKATASA-N 437.495 6.113 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCc4ccc([N+](=O)[O-])cc4)cc(C)c3C2=O)c(OC)c1 41501598 CFTIXDAWQXDPNP-KSEXSDGBSA-N 447.443 5.116 30 10 IKEE Cc1cc(O)c(CN2CCCC[C@H]2C)c2c1C(=O)/C(=C/c1ccc(-c3ccccc3)cc1)O2 41511500 MQWZAJBWODUDHJ-OVZSPSEASA-N 439.555 6.358 30 10 IKEE CCCCCCCCCCCCCCCCCCCCC[C@@H](O)C[C@@H](O)CCCCC 43888360 DAGYDJHSDMRWJX-URLMMPGGSA-N 440.797 9.501 30 10 IKEE endogenous,in-man CCCCCCCOc1cccc(NC(=O)CNc2ccc(OCCC(C)C)cc2)c1 100077014 AWBDGDMWNYYFGY-UHFFFAOYSA-N 426.601 6.511 30 10 IKEE CCCCCCCCCCCCCCCCNC(=S)NC(=O)/C=C\c1cccs1 105798938 NYHQQJOHIGEKQC-HNENSFHCSA-N 436.731 7.233 30 10 IKEE N#CCCn1cc(/C=C/C(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)c2ccccc21 109994543 UUIHIDCEDNEHNI-IZZDOVSWSA-N 440.478 5.211 30 10 IKEE CCCCCCCCCCCCCCC(C(=O)N(C)CCCC)C(=O)N(C)CCCC 113465701 QDRPSHIVUBISGI-UHFFFAOYSA-N 438.741 7.211 30 10 IKEE CCCCCCCCCOc1ccc([C@@H]2NN=C3C4CCN(CC4)[C@@H]32)cc1Br 169940089 DMYCURPCKZGTRM-GOTSBHOMSA-N 448.449 5.673 30 10 IKEE CCOc1c(Cl)cc(/C=N\Nc2nc(-c3ccc(Cl)cc3)cs2)cc1Cl 169943170 NJYWWEBICBDUFS-AFPJDJCSSA-N 426.756 6.615 30 10 IKEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccncc1)c1ccc(Cl)cc1 170026187 XMTURKXAXXUPDZ-IBGZPJMESA-N 447.903 5.128 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2C2CCCC2)cc1 170033828 VGSHBUDZNRVFBY-XMMPIXPASA-N 433.548 5.613 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)[C@H]2c2ccccc2)c1 170053684 LKPIJYYMRVUCSS-VWLOTQADSA-N 441.527 5.874 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(Cl)cc1)c1ccc2ccccc2c1 170059878 NXIWEGZHKLVNLU-DEOSSOPVSA-N 445.946 6.404 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@H]2c2ccc(F)cc2)cc1 170061571 YRSSRCXSUTUVCQ-HSZRJFAPSA-N 431.463 5.180 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccccc2C)c1 170086758 WUIYSCJQNNXCGP-XMMPIXPASA-N 445.490 5.624 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1Cc1ccco1 170123521 GYVZNNUGDGXIRY-XMMPIXPASA-N 439.467 5.220 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(N(C)C)cc2)c1 170129839 MFWUQNAJBVNANZ-DEOSSOPVSA-N 448.563 5.061 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1ccc(C(C)(C)C)cc1 170150042 XRTIJIQPEFVTIH-HSZRJFAPSA-N 435.564 5.760 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2cccs2)cc1 170160791 UZINDOPGLTUQBM-QHCPKHFHSA-N 447.556 5.937 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1cccnc1 170188019 LRJYNRYIIUOZAX-HSZRJFAPSA-N 442.515 5.171 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)cc4)[C@@H]3c3ccccc3)oc12 170223581 BBXKWPXXZQAQNO-JOCHJYFZSA-N 443.430 5.363 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@@H]1c1ccccc1 170225359 ZVVSUOUKMUPHSS-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1ccccc1)c1ccc2c(c1)CCCC2 170229101 VIXOSZCXBCKRJZ-DEOSSOPVSA-N 445.465 5.627 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@@H]1c1ccc(C(C)C)cc1 170246030 HLLNHFLPKQDQIK-VWLOTQADSA-N 449.591 6.204 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2cccc(O)c2)cc1 170259578 HFGYGIPVEVXGDY-XMMPIXPASA-N 443.499 5.271 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2cccc(O)c2)cc1 170259620 PFOSLGJJPMITAY-VWLOTQADSA-N 435.479 5.637 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccco1 170283955 QKFBREKZRASRHC-OAQYLSRUSA-N 433.847 5.771 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)c(OC)c3)=C(O)C(=O)N2CCC)c1 170323485 HSWGCASHXWCYKR-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C(C)(C)C)cc2)cc1 170390441 IISIJHMOJLFGAK-VWLOTQADSA-N 439.555 6.329 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(OC(C)C)cc2)cc1 170473698 OSGRPXDHWZXXMP-QHCPKHFHSA-N 447.487 5.248 30 10 IKEE C=C[C@@H]1C=C(COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]2OC(C)(C)O[C@@H]21 215238700 PTIHDIXARMLYBE-OFEZKSIWSA-N 438.567 6.257 30 10 IKEE C=C(CC[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)C(C)C 238749692 XHFAXVFEJWTPSR-WJEAEAHFSA-N 446.672 5.067 30 10 IKEE C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@@]43C)[C@H]1CC/C2=N\N=C\c1ccccc1C(F)(F)F 239612016 FHIHDASURXFVSB-OJYPRSSOSA-N 444.585 7.913 30 10 IKEE C=C(C)CN=c1scc(-c2ccc(OC)cc2OC)n1N=Cc1c(C)[nH]c2ccccc12 254383923 OKNAUPWBZRSTJX-UHFFFAOYSA-N 446.576 5.383 30 10 IKEE COc1cc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cc2c1OCO2 254702734 FBJLPYMCBZFUML-CTYRUUPVSA-N 436.592 6.419 30 10 IKEE CCCCOc1cccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 526490819 ZNHBQBYJCFCDRH-VWLOTQADSA-N 442.490 5.933 30 10 IKEE Cn1cc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)c2ccccc21 526516097 MSVNMRSPPUEHKM-DEOSSOPVSA-N 439.902 5.761 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccs2)cc1OCC 526521277 LQOHNXKEALHGBW-QHCPKHFHSA-N 446.528 5.474 30 10 IKEE CC(=O)Oc1ccc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526606518 LMNXNPLUQJLLKY-QHCPKHFHSA-N 444.874 5.194 30 10 IKEE CCCOc1cccc([C@@H]2C(c3cccc(OC)c3)=C(O)C(=O)N2c2ccccc2C#N)c1 526606980 RAJXWXCXVVKBKD-RUZDIDTESA-N 440.499 5.413 30 10 IKEE CCCCOc1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526607230 OCWXJKJLLPZMDT-VWLOTQADSA-N 442.490 5.933 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1c[nH]c2ccccc12 526824175 NVYMXIDKRDRBDI-MYKKPKGFSA-N 430.364 5.803 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@H](NC(=O)c3ccc(C)c(C)c3)C2)c1 585990330 RNRKWZHCGFARGE-DEOSSOPVSA-N 433.596 5.176 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)OC2CCC(NC(=O)c3cccs3)CC2)cc1 586507106 SDAYOVASVKKLPW-UHFFFAOYSA-N 449.638 5.317 30 10 IKEE CCCCCCCCC[C@H](NCC)c1scc(Br)c1Br 707817232 YUOUQUCLQCDUGX-AWEZNQCLSA-N 425.274 7.064 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C1 724076421 GWNJNPULQAYKKE-KSFYIVLOSA-N 435.590 5.072 30 10 IKEE COc1ccc(/C=C2\SC(=Nc3ccccc3)N(C3CCCCC3)C2=O)c2ccccc12 725274224 DIRWEOIETCYYAY-SBEYKLCGSA-N 442.584 6.785 30 10 IKEE CCCN1/C(=N/c2ccc(C)cc2)S[CH][C@H]1c1ccc(S(=O)(=O)N2CCCC2)cc1 1614593121 FZPUKVNZOWYVBI-ACOCPHQRSA-N 442.630 5.129 30 10 IKEE CC(C)c1nc(C#N)c(NN=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)o1 1772722053 YOAMSPXXNLNCPO-UHFFFAOYSA-N 430.899 5.622 30 10 IKEE C=CCN1C(=O)[C@@H](Cc2cccc(Cl)c2Cl)SC1=Nc1ccc(C(=O)O)cc1 1772727891 WVWPCBSNEHXFMH-MRXNPFEDSA-N 435.332 5.052 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)Nc2ccccc2C)c(=O)cc1C(=O)O 1857891099 MOLPUQDFLFOZPF-UHFFFAOYSA-N 442.556 5.013 30 10 IKEE Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)Cc3ccc(Cl)cc3)cc(C)c2c1 1859481452 KEOJSFPDWRXXJF-UHFFFAOYSA-N 429.911 5.052 30 10 IKEE CCOc1ccc(CCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1 1859650596 XYNHSNCFGMGUTF-UHFFFAOYSA-N 436.511 6.455 30 10 IKEE Cc1ccc(CCC(=O)N2CCC[C@@H](C(=O)Nc3scc(C(C)(C)C)c3C#N)C2)cc1 1860655060 IEMKSOZBOWKLHN-LJQANCHMSA-N 437.609 5.036 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(Cl)c(Cl)c1 1861054402 FOTTUUWJCRTNDQ-NRFANRHFSA-N 443.459 6.395 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)c1ccc(OC)c(OC)c1)[C@H](C)CC 1861066024 JRTQGIQCRKQXJB-XXBNENTESA-N 434.621 5.105 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(C)C)cc1 1861552915 DPTSMBJEYBHQEQ-AHNKUGAQSA-N 426.645 6.071 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)[C@H](C)Oc1ccccc1C(C)C 1861659754 UPRZAFPKDYGVKZ-WXVAWEFUSA-N 446.676 6.119 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C[C@H]2CCCO2)c1 1862379723 JDKPCJAYHDPELW-UZLBHIALSA-N 446.330 5.059 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccccc1[N+](=O)[O-] 1862384665 XNXDAIWEAYLFHJ-BBATYDOGSA-N 449.290 5.278 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@H]2c2ccc(O)cc2)c1 1862411130 ABELTKLDZDBEPH-HSZRJFAPSA-N 449.453 5.066 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccccc1C 1862412088 WMOWFHNVPPJZKA-JOCHJYFZSA-N 443.490 5.058 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862413118 WCIWJSORGAINEH-QMHKHESXSA-N 433.454 5.613 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2cccnc2)cc1 1862414891 KXFIUYMLEKNLFJ-QHCPKHFHSA-N 448.469 5.262 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(O)cc1 1862430361 IVNXQSKKIWUCTA-NYHFZMIOSA-N 433.891 5.385 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccccc1 1862441228 CLRIPFZDOVSGLC-RBBKRZOGSA-N 425.956 6.277 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862451350 CRDPJFHLHDYUCY-AOMKIAJQSA-N 441.955 5.896 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCc3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 1862474942 ZDVLOVKOBULBMD-RUZDIDTESA-N 443.518 5.735 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2cccc3ccccc23)cc1 1862480729 MWPMAERDFYETOA-SANMLTNESA-N 433.507 5.927 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 1862481782 IOMKUNSWHYUFDC-FQEVSTJZSA-N 429.438 5.535 30 10 IKEE COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCC2)ccc1OC(C)C 1862483920 HCCWFBJCPWVVAD-DEOSSOPVSA-N 449.547 5.312 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2c(Cl)cccc2Cl)ccc1F 1862508447 IZKMYPPMVKQJMZ-LJQANCHMSA-N 436.310 5.675 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(O)c(OCC)c1 1862622879 OOBGIVVSKPBNJL-QFIPXVFZSA-N 437.536 5.077 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc(C(C)C)cc2)cc1 1862690610 CEUKDHNKARWVIV-UODBTFMRSA-N 447.575 5.976 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)c1 1862713780 WKEMDVBJHUVXRH-CCLHPLFOSA-N 447.534 6.488 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862728031 RLXUACKVNHNBNX-QHCPKHFHSA-N 440.455 5.026 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862759220 MHBLTAXYCXZKBX-SFHVURJKSA-N 449.290 5.136 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccccc2Cl)C1=O 1863074567 VGDSMFUPFAWDLI-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE CC(C)c1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccccc3Cl)C2=O)cc1 1863075375 AAPBROBGHXYPQW-UHFFFAOYSA-N 441.918 5.732 30 10 IKEE CCCCOc1ccc(NC2=C(c3cccs3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1863119879 KVUMUQJPBFGOJV-UHFFFAOYSA-N 443.528 5.195 30 10 IKEE N#Cc1cccc(NC2=C(c3ccccc3Cl)C(=O)N(CCCc3ccccc3)C2=O)c1 1863447194 ORUDVXWPFKMKSR-UHFFFAOYSA-N 441.918 5.036 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccccc2)=C(c2cc(C)ccc2C)C1=O 1863739919 DFDBMOMSSRVVDL-UHFFFAOYSA-N 446.635 6.314 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H](C)c2ccccc2)=C(c2c[nH]c3ccccc23)C1=O 1863817587 JYNPBRFRXNEGRP-FQEVSTJZSA-N 443.591 5.959 30 10 IKEE CC(C)c1nc(Nc2cccc(C#N)c2)cc(N2C[C@H](c3ccccc3)Cc3ccccc32)n1 1868221721 WVWGXOGDYKSQAQ-XMMPIXPASA-N 445.570 6.693 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](CCSC)NC(=O)[C@@H](c1ccc(Cl)cc1)C1CCCC1 1868872140 LCZFBFBVWBDJQJ-FGZHOGPDSA-N 449.060 5.052 30 10 IKEE CCCCCCCCCCn1cc(OCCC)c(=O)cc1CNc1ccc2c(c1)OCO2 1871106672 UZEVENBQBJHWMA-UHFFFAOYSA-N 442.600 6.119 30 10 IKEE CCCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1cc(C)ccc1C 1871254843 HDJMPVXKKUCXHI-UHFFFAOYSA-N 443.591 6.108 30 10 IKEE Cc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCC(C)C)cc1F 1871255518 ZRUHLPGYUMZULM-UHFFFAOYSA-N 433.527 5.405 30 10 IKEE CCN(CC)CCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(Cl)cc1)C3=O 1871349287 SPAKNTPXVREDMY-HMAPJEAMSA-N 440.971 5.148 30 10 IKEE Cc1cc(OC(=O)c2ccc(F)c(F)c2F)cc2c1C(=O)/C(=C/C=C/c1ccccc1)O2 1871370637 WOGQUSQVTKWARS-VNVABUEJSA-N 436.385 5.804 30 10 IKEE COc1ccccc1/C=C1\Oc2c(ccc(OC(=O)/C(Cl)=C/c3ccccc3)c2C)C1=O 1871377550 QGONAFORZNGVJG-GAUZVNERSA-N 446.886 5.805 30 10 IKEE O=C(O)/C=C/c1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871382196 NSTKIPHIYBFFNR-AGWINUGJSA-N 446.842 5.273 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871409163 YSNOEQGRDIIMPQ-QODTYRDMSA-N 439.511 5.882 30 10 IKEE COc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(C)c1)C2=O 1871410665 ABMQWAKUBCEQQQ-PDESAOGPSA-N 429.472 5.026 30 10 IKEE CC(C)(C)c1ccc(OCCOc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 1871415079 UMDQZWKCOPOKJH-XYGWBWBKSA-N 432.491 6.197 30 10 IKEE COc1ccccc1/C=C1\Oc2c(ccc(OCC(=O)Nc3ccc(C)cc3C)c2C)C1=O 1871418853 QUVUVTJUIAQHEB-OYKKKHCWSA-N 443.499 5.254 30 10 IKEE O=C1/C(=C/c2ccccc2F)Oc2cc(OCc3cccc(Oc4ccccc4)c3)ccc21 1871436605 HGXHGVPBCQLXIM-YUMHPJSZSA-N 438.454 6.813 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(CC)cc1)[C@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1872096206 BBZQKWMNFCUWSV-VGOFRKELSA-N 449.016 5.133 30 10 IKEE N#C[C@@H](C(=O)c1cc2ccccc2oc1=O)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872760255 KTLCJNZTLIWLMH-FQEVSTJZSA-N 426.497 5.285 30 10 IKEE N#C[C@H](C(=O)Cc1cc(Cl)ccc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872763065 DAAUYEWSYJSZMG-OAHLLOKOSA-N 432.288 5.444 30 10 IKEE N#C[C@@H](C(=O)CCCOc1ccc2ccccc2c1)c1nc(-c2cccc(Cl)c2)cs1 1872767100 SNLGPOOODFZTFO-QFIPXVFZSA-N 446.959 6.652 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1F 1872775663 WUOPGQVPBGTZAC-GFCCVEGCSA-N 431.832 5.009 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccccc3C(C)C)n2)c(C)c1C 1872778753 SUKIUDZZDPLMMW-RXVVDRJESA-N 448.588 6.203 30 10 IKEE COc1c(Cl)cc(-c2csc([C@H](C#N)C(=O)Cc3ccc(C)c(C)c3)n2)cc1Cl 1872785801 WGRNZZWORYUIOW-MRXNPFEDSA-N 445.371 6.161 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4ccccc4)cc3)n2)cc1Cl 1872785964 YAWWHNIEHAHOPA-FQEVSTJZSA-N 444.943 6.629 30 10 IKEE COc1ccc(Cl)cc1C(=O)[C@@H](C#N)c1nc(-c2cc(Cl)cc(C)c2OC)cs1 1872786457 KVSPWZMUIGSEPH-MRXNPFEDSA-N 447.343 5.933 30 10 IKEE CC(C)Oc1ccc(CC(=O)[C@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 1872788199 WWJUBRQILRNXEP-SFHVURJKSA-N 445.371 6.323 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)cc2F)=C(c2cccc(OC)c2)C1=O 1873218562 UFPUMUOUTKQPJB-UHFFFAOYSA-N 442.506 5.526 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C(C)C)cc2)cc2c(NCc3ccccc3C)ncnc21 1873619010 SVBRDMOFZQNTCP-UHFFFAOYSA-N 439.563 5.914 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)cc2c(NCc3ccc(OC)cc3)ncnc21 1873635900 BLENLKLFXHPAAN-UHFFFAOYSA-N 441.535 5.107 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2ccccc2)n1/N=C/c1ccc(F)cc1 1874299675 NBZBUQZJBUEOGI-JFLMPSFJSA-N 446.551 5.788 30 10 IKEE Clc1ccccc1/C=N/n1c(SCc2ccccc2)nnc1-c1ccccc1Cl 1874366978 DYZRMOPRRBCQTG-AFUMVMLFSA-N 439.371 6.426 30 10 IKEE Cc1ccsc1/C=N/n1c(CCc2ccccc2)nnc1SCc1cccc(F)c1 1874401956 AVRVYBBZEIDWIT-MFKUBSTISA-N 436.581 5.747 30 10 IKEE Cc1cccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2cccc(F)c2)c1 1874402417 ZBSXZVLEZJHOEZ-WPWMEQJKSA-N 430.552 5.685 30 10 IKEE CCOc1cccc(/C=N/n2c(Cc3cccs3)nnc2SCc2ccc(C)cc2)c1 1874410869 ANESBJTUCGHSOC-PCLIKHOPSA-N 448.617 5.812 30 10 IKEE COc1ccc(OC)c(/C=N/n2c(SCc3ccc(C)cc3)nnc2-c2ccccc2)c1 1874425420 IFAVCJLSOTXPAM-WGOQTCKBSA-N 444.560 5.445 30 10 IKEE CCCOC(=O)CSc1nnc(C2CCCC2)n1/N=C/c1ccc(Cl)cc1Cl 1874458080 WDFBMYQCBXQICZ-SSDVNMTOSA-N 441.384 5.170 30 10 IKEE O=[N+]([O-])c1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2)nnc1C(F)(F)F 1874462026 IYRRXIFRHDWSEY-LSFURLLWSA-N 441.822 5.033 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2-c2ccco2)cc1O 1874467373 FZJNHPPGDGWNOM-FSJBWODESA-N 440.912 5.080 30 10 IKEE COCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(F)cc1F 1874473554 KIVJZERJPOEPAE-VULFUBBASA-N 438.503 5.073 30 10 IKEE Cc1ccsc1/C=N/n1c(CC(C)C)nnc1SCC(=O)Nc1c(C)cccc1C 1874488417 VVZOJWKJTFEOMZ-FSJBWODESA-N 441.626 5.076 30 10 IKEE COc1ccccc1/C=N/n1c(CC(C)C)nnc1SCc1c(Cl)cccc1Cl 1874490697 FSLHPZXPJYMWDI-WYMPLXKRSA-N 449.407 5.967 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874527630 XZLXVSIHGWHIDP-ZMOGYAJESA-N 444.988 5.464 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874527681 AIAMMLXZCYGUPS-UFFVCSGVSA-N 436.324 5.230 30 10 IKEE Cc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874531256 ZDJYITUBRCTARS-CVKSISIWSA-N 432.524 5.479 30 10 IKEE C[C@H](c1ccccc1)c1nnc(S)n1/N=C/c1cccc(OCc2cccc(Cl)c2)c1 1874561278 KWUADAZVLVBMQF-CIRUFVMISA-N 448.979 5.833 30 10 IKEE Sc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1cccc(Oc2ccccc2)c1 1874566378 VBMCIFAXEAWSND-PCLIKHOPSA-N 434.952 5.680 30 10 IKEE CCc1ccccc1NC(=O)COc1c(/C=C/C(=O)c2ccccc2Cl)cccc1OC 1874575114 WHZYEWXRWCBQPF-FOCLMDBBSA-N 449.934 5.825 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccccc2OCC(=O)Nc2cc(C)cc(C)c2)c1 1874580863 JTXWHKWCUIKOPJ-PKNBQFBNSA-N 445.515 5.234 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2ccc(C)cc2)c(OCC)c1 1874589251 BNBXJVUQIQARGB-SAPNQHFASA-N 446.543 6.276 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccccc3CC)c2)cc1 1874596010 FEUULYFDPIXNAZ-SFQUDFHCSA-N 429.516 5.561 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCCc3ccccc3)c([N+](=O)[O-])c2)cc1OC 1874602774 DHIYOEHVQZLHJX-DHZHZOJOSA-N 433.460 5.130 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1 1874606284 GLYXSUJEWFZPGR-QDUHJBTASA-N 441.571 6.182 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1C 1874607766 FMONNWNFTUNHDU-DHZHZOJOSA-N 445.515 5.234 30 10 IKEE Cc1ccc(COc2ccc(/C=C/C(=O)c3ccc(F)cc3F)cc2Br)cc1 1874612019 XAZXOKXSOUBPFR-UXBLZVDNSA-N 443.287 6.511 30 10 IKEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3cccc(Cl)c3)cc2[N+](=O)[O-])o1 1874612376 RCNWANQTEUYYCB-VMPITWQZSA-N 441.823 5.103 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1C 1874636672 MOFVWCCPKHMVKW-FMIVXFBMSA-N 441.354 7.094 30 10 IKEE CCCCCCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1C[C@H](C)C[C@@H](C)C1 1874649831 BQRRAQHQUFSKNI-DNRQZRRGSA-N 439.644 5.450 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)c2)cc1 1874694893 ZMDKMZQKGLBRRK-LWLQXAHNSA-N 430.931 6.508 30 10 IKEE C[C@@H](C(=O)Oc1cccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1)c1ccccc1 1874702720 GQRXSIKXTTXMJB-QSOAKEGCSA-N 425.311 6.599 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(CC)cc3)cc2[N+](=O)[O-])c1 1875101733 ZFTBVAVVELXXEH-GXDHUFHOSA-N 445.471 5.671 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(OCC)cc3)cc2)cc1 1875105998 XBLILDUFEFFZNS-DEDYPNTBSA-N 442.555 6.472 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1Br)c1ccncc1 1875120798 KXIQJUHLDSBQOM-ORCRQEGFSA-N 444.231 5.238 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)c1ccccc1C 1875125366 FORLHEBDIPHEOI-XNTDXEJSSA-N 446.930 6.501 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccnc2)c(Br)c1)c1ccc(Cl)cc1 1875125892 FTAKODAPTPYZDL-YCRREMRBSA-N 442.696 5.613 30 10 IKEE CCCCCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2ccc(OCC)cc2)cc1OC 1875129461 DFDNJOVMLQMWKL-LFIBNONCSA-N 440.536 5.874 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)CCCSC)c(OC)c2)cc1 1875129815 VDOIXEHNIMONLG-MDWZMJQESA-N 444.549 5.047 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)Cc1ccc(C)c(C)c1 1875133057 BJCMCNFQNBMNLJ-JLHYYAGUSA-N 444.527 5.673 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC(=O)C(F)(F)F 1875135369 MQNQVKWETJUNGD-ZZXKWVIFSA-N 449.208 5.374 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)Cc1ccc(C)c(C)c1 1875140743 VQAJAYDNYXFDIB-ACCUITESSA-N 442.555 6.363 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)c(C)c3)c(OC)c2)cc1F 1875153385 DPROSNIHYQHHLX-JXMROGBWSA-N 448.490 5.504 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)[C@H](C)c1ccccc1 1875158732 KOMPYGYMKXEYDZ-KZIRBZLESA-N 444.502 6.168 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OC(=O)COCc3ccccc3)cc2)c1C 1875168420 BMRSZGYWHDXOTR-NTCAYCPXSA-N 428.528 5.939 30 10 IKEE CSCCCC(=O)Oc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1[N+](=O)[O-] 1875169245 LSFZFQUNXYUMAA-CSKARUKUSA-N 441.549 5.773 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3)c(Br)c2)cc1C 1875175331 KAKYORSCUAGQSX-FMIVXFBMSA-N 435.317 6.181 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2ccc(OC(=O)C(C)(C)C)c(OC)c2)cc1Cl 1875175871 KWYJPXGDYQDTGP-VQHVLOKHSA-N 432.900 5.213 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccncc3)c(OC)c2)c(OCC)c1 1875179548 PJOHMWYFEOOQRL-UXBLZVDNSA-N 447.487 5.003 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc1OC 1875181342 AXODJYNNXBIYIM-ZRDIBKRKSA-N 444.955 6.438 30 10 IKEE CCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1Br 1875184398 WDLCLDXQBMXHLL-DHZHZOJOSA-N 429.354 6.267 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)ccc1OC(=O)C1CCCC1 1875187483 BOLDEPXZEJEWOJ-VQHVLOKHSA-N 449.330 6.002 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3sc(-c4ccccc4)nc3C)cc21 1890840240 YOJWCJIAYNRFJM-UHFFFAOYSA-N 447.560 5.308 30 10 IKEE CCN(CC)c1cccc(OCC#CCNC(=O)CCCSc2ccc(Cl)cc2)c1 1891298427 GJZXIVJYLOGMEE-UHFFFAOYSA-N 445.028 5.257 30 10 IKEE C[C@H](C#N)c1cccc(C(=O)NCCSc2cn(Cc3ccccc3)c3ccccc23)c1 1892063151 RYKRRASAQSKJRK-HXUWFJFHSA-N 439.584 5.839 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@](C)(O)c1ccc(Br)cc1Cl 1922064836 IFSOSLPIKYSTBJ-NHCUHLMSSA-N 438.793 5.061 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1ccc(CN(C)C(=O)OC(C)(C)C)cc1 1922102290 GKTHPJWXVUMDQI-VWLOTQADSA-N 438.612 5.867 30 10 IKEE CCCCCCCCCC[C@@H](NC)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1946540021 KYXWOUALXOSZGS-RPWUZVMVSA-N 434.665 6.215 30 10 IKEE C#Cc1cccc([C@@H](CCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 1951624769 RPHWZACHXRPXOD-RUZDIDTESA-N 425.484 5.113 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@](C#N)(N(C(=O)OC(C)(C)C)C3CCCCC3)C[C@H]2C1 1996794388 CWZRLQZHEUJSRB-MRSFGVLCSA-N 433.593 5.095 30 10 IKEE C[C@H](N(Cc1ccccc1)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl)C(C)(C)C 2004971587 SPZRQVVSAMXNAM-KRWDZBQOSA-N 428.813 5.475 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(Br)ccc(Cl)c1F 2063093552 BRZMYBBOHPOWNC-BBRMVZONSA-N 435.765 5.362 30 10 IKEE Cc1cc(C)c([C@H](C2CCC2)n2nc(C(C)(C)C)c(C=NO)c2Br)c(C)c1 2079845855 VVCPNBVLETTWCC-IBGZPJMESA-N 432.406 6.066 30 10 IKEE Fc1cc(-c2c(C(F)(F)F)nn3c(Cl)c4c(nc23)CSC4)c(F)c(F)c1F 2081371915 HFIBKZMFKQYTKI-UHFFFAOYSA-N 427.732 5.372 30 10 IKEE CC(C)(C)OC(=O)N(C[C@H]1CCCO1)[C@@H](C#N)c1ccc(Br)c(Cl)c1F 2098121235 PCHXWCDEGJKIAL-RISCZKNCSA-N 447.732 5.222 30 10 IKEE C=CCCCCC[C@@H](NCC)[C@@H](O)c1cc(Br)c(Br)s1 2147717285 GYSBUEFOPSRZMO-TZMCWYRMSA-N 425.230 5.421 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@](C#N)(Nc1cccc(Br)c1)C2 2155262130 CCOIGQDHCBQJPZ-NRFANRHFSA-N 434.378 5.325 30 10 IKEE C[C@@H]1[C@H](Nc2cc(Br)cc(F)c2C#N)C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2163710071 BRKCGWBMHZPCAD-MAAOGQSESA-N 438.341 5.048 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@@H](Nc3cc(Br)ccc3C#N)C[C@H]21 2166985135 SJFHYUVKGVYQBY-LSBZLQRGSA-N 434.378 5.301 30 10 IKEE CCN(Cc1ccc(Nc2ccc(C#N)c(Br)c2)cc1)C(=O)OC(C)(C)C 2169057455 LISSIYIXLOUXIF-UHFFFAOYSA-N 430.346 5.821 30 10 IKEE C=CCCCCCCCC[C@H](N)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2207408263 IEGWSZIEYNUAFF-IBGZPJMESA-N 439.438 7.103 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@H](C)CN(C(=O)OC(C)(C)C)[C@H]1C 2220391508 KRTZNXFNNWYHQO-KMEZTADASA-N 443.588 5.664 30 10 IKEE C=C(C)CC[C@H](NCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229130126 KRFAXWPHUGYUFS-RBUKOAKNSA-N 425.411 5.219 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C=CC(=O)c2c(F)cc(F)cc2Br)cc1 2233965125 PLJPTRVSVQASOA-UHFFFAOYSA-N 438.268 5.970 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)CN(CC(C)C)C(=O)OC(C)(C)C 2235735254 SYMKUNDUGDFVJR-LJQANCHMSA-N 437.422 5.062 30 10 IKEE CC(C)N(C(=O)OC(C)(C)C)C1(C#N)CCC(C)(NC(=O)OCc2ccccc2)CC1 2241911031 ZXRAAAACGANWDI-UHFFFAOYSA-N 429.561 5.153 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1sc(Br)c(C)c1C 2265926949 HDDVGUDWPWFMJU-HOTGVXAUSA-N 443.451 5.475 30 10 IKEE C=CC[C@]1(COc2c(N)ccc(F)c2Br)CCCN(C(=O)OC(C)(C)C)C1 2287853505 YCLUZBPVJBYICP-FQEVSTJZSA-N 443.357 5.143 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C=CC(=O)Cc2c(F)cccc2Br)cc1 2289487998 JXONJPNEFZVUOW-UHFFFAOYSA-N 434.305 5.760 30 10 IKEE CCC[C@]1(C(=O)C#Cc2cccc(Br)c2)CCCN(C(=O)OC(C)(C)C)C1 2296222411 RMUIFXWFNFFOCZ-QFIPXVFZSA-N 434.374 5.187 30 10 IKEE Cc1cc(C)c2nc(N3C(=O)C(=O)C(=C(O)c4ccccc4)[C@H]3c3ccccc3)sc2c1 2297056714 RLAGPHLQUNLSAP-JOCHJYFZSA-N 440.524 5.539 30 10 IKEE Cc1cccc(CN2c3ccccc3C(=O)C(=CNc3ccccc3Cl)S2(=O)=O)c1 2297334971 SEQQUBIYWOVZHE-UHFFFAOYSA-N 438.936 5.135 30 10 IKEE CCOc1ccc2oc(C)c(C(=O)Oc3ccc(C=CC(=O)c4ccccc4)cc3)c2c1 2314429467 HYKIWEXHNGXGEY-UHFFFAOYSA-N 426.468 6.255 30 10 IKEE CC(C)[C@H]1C[C@H](Nc2ccc(Br)c(C#N)c2)CN1C(=O)OCc1ccccc1 2321252442 GWDVIUWCOARFNI-PZJWPPBQSA-N 442.357 5.168 30 10 IKEE COC(=O)c1ccc(COc2cc(C)c3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1 2321856580 AQGUTLKBJPSNPL-UHFFFAOYSA-N 442.511 6.100 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O3)CN(CCCCCO)CO2 2322095677 XGKJHVKRLVQAEF-UHFFFAOYSA-N 448.346 5.233 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)N[C@H](C)c2ccccc2)c1 2322371981 SWJIZNDHWSTZDG-GOSISDBHSA-N 449.934 5.501 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2ccccc2c1C=CC(=O)c1cc(C)ccc1C 2322617112 YNZPIYRYRBPQMF-UHFFFAOYSA-N 443.587 6.380 30 10 IKEE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)cc1 2322904202 ZCHARFPRRMLSHZ-UHFFFAOYSA-N 442.511 5.757 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccccc1OCC(=O)NCc1ccccc1 2322952989 XAJJISVKKBGHKV-UHFFFAOYSA-N 441.571 5.884 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccccc2OCc2c(Cl)cccc2Cl)cc1C 2322981423 OVFZXAXUOGMXMW-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1OCCc1ccccc1 2323149312 ICUPOXJLTDCKSQ-UHFFFAOYSA-N 427.327 6.520 30 10 IKEE Cc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc2c1C(=O)C(=CC=Cc1ccccc1)O2 2323149731 KVXUGTZSBPMACR-UHFFFAOYSA-N 427.412 5.295 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCc3cc(C)ccc3C)c([N+](=O)[O-])c2)cc1 2323831956 VSXNEJGOPCRHHS-UHFFFAOYSA-N 431.488 6.085 30 10 IKEE CCCOc1ccc(C=NNc2nc(-c3ccccc3)c(C(=O)OC)s2)cc1OCC 2323854462 FGRLWWSJLYQDHH-UHFFFAOYSA-N 439.537 5.230 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1ccco1)C2=O 2324339234 NCILLIFZRKAQCJ-QGZVFWFLSA-N 431.488 5.481 30 10 IKEE COc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1cccc(C)c1)C2=O 2324472328 ABMQWAKUBCEQQQ-KRWDZBQOSA-N 429.472 5.026 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)c(OC)cc2C)ccc1OCc1ccc(F)cc1 2324645701 DRWDTBYGJZUEIQ-UHFFFAOYSA-N 434.507 6.325 30 10 IKEE CCN(CC)C(=O)COc1ccc(C=CC(=O)c2cc(Cl)ccc2OC)cc1Cl 2324697022 HLIDYCJXHTUXEG-UHFFFAOYSA-N 436.335 5.145 30 10 IKEE O=C(C=Cc1cccc(OCc2ccccc2)c1)C(=O)Nc1ccccc1Oc1ccccc1 2325669380 DFSGTNLGXIDCJV-UHFFFAOYSA-N 449.506 6.279 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cccc(OCC)c3)c2)cc1 2325734224 ULEXVFYPSLTKJC-UHFFFAOYSA-N 446.499 5.608 30 10 IKEE CCN(CC)C(=O)COc1ccc2c(c1C)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2325743266 ULHQKDXZHVNBSN-UHFFFAOYSA-N 441.527 5.525 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 2325746311 NRVGVMWYDXTZGP-UHFFFAOYSA-N 428.528 6.037 30 10 IKEE COc1ccccc1C(=O)Oc1cccc(C=CC(=O)c2cc(Cl)ccc2Cl)c1 2325774409 JWRRZTMIJUNQII-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)ccc2OC)cc1OC(=O)Cc1cccs1 2325778475 UKFXGXSSUKPKQW-UHFFFAOYSA-N 442.920 5.463 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1cccc(OCCC)c1 2326446216 DOQRKHFGFSHSSA-UHFFFAOYSA-N 436.625 6.201 30 10 IKEE Cc1ccc(C)c(OCc2nnc(SCc3ccccc3)n2N=Cc2ccccn2)c1C 2327272746 BAAZYQBOTKPJBR-UHFFFAOYSA-N 443.576 5.352 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1ccc(C(C)C)cc1 2327363222 CFHPBZJGAWXWBH-UHFFFAOYSA-N 448.636 6.483 30 10 IKEE CCCOc1ccccc1C=Nn1c(CCc2ccc(C)c(C)c2)nnc1SCCC 2328964757 ZTHYBUXLVPVKRB-UHFFFAOYSA-N 436.625 5.853 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccccc3Cl)n2N=Cc2sccc2C)c1 2329551908 KAXVLYNTLNDKHD-UHFFFAOYSA-N 439.009 6.451 30 10 IKEE CCc1ccc(C=Nn2c(Cc3ccc(C)cc3)nnc2SCc2ccc(C)cc2)cc1 2329933853 LEJHXVAKYFEKOJ-UHFFFAOYSA-N 440.616 6.223 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCCc3ccccc3)nnc2-c2cccs2)cc1 2330588410 SCIJQMIJWRSSQA-UHFFFAOYSA-N 432.618 6.347 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc(F)cc1F 2330805494 XMQBVXHSEJJMCJ-UHFFFAOYSA-N 433.237 6.387 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(CC(C)(C)C)n2N=Cc2ccccc2C)c(C)c1 2330880281 KEEIHLBSPOFKSA-UHFFFAOYSA-N 449.624 5.405 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cnccn2)c(Cl)c1)c1ccc(Br)cc1 2330888688 JBKLXFNMRSBXHA-UHFFFAOYSA-N 443.684 5.008 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OC(=O)Cc1ccccc1F 2331106099 BXVLVTMZXSFJSA-UHFFFAOYSA-N 426.390 5.157 30 10 IKEE FC(F)(F)c1ccc(C=Nn2c(SCc3ccccc3)nnc2C(F)(F)F)cc1 2331136289 YBWUJRUDOZCUGM-UHFFFAOYSA-N 430.377 5.490 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(F)(F)F)n2N=Cc2c[nH]c3ccccc23)c1 2331141325 RUBXCXPPVCAWNU-UHFFFAOYSA-N 429.471 5.570 30 10 IKEE COc1cc(C=Nn2c(SCc3ccccc3Cl)nnc2-c2ccco2)ccc1O 2331210566 OYLZFXDOUVFCBQ-UHFFFAOYSA-N 440.912 5.080 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2)cc1 2331216042 UMFJKVSBOHFCSZ-UHFFFAOYSA-N 428.528 6.136 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)cc3F)cc2)cc1 2331411206 ZAMROXQUEWJIJA-UHFFFAOYSA-N 434.482 6.307 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(F)c2)ccc1OC(=O)Cc1cccs1 2331461096 KOLAAQQFVWDKJB-UHFFFAOYSA-N 440.492 5.339 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCc3ccccc3F)nnc2C2CCC2)cc1 2331523089 ZGTCQHNSURRAOQ-UHFFFAOYSA-N 437.588 5.705 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)COc3ccccc3)cc2)cc1C(C)C 2331571853 ZZYOKNGIFIVTEE-UHFFFAOYSA-N 444.527 6.008 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(C(C)C)n1N=Cc1cccc(Cl)c1 2331674983 SQEBMWKGUWAQPS-UHFFFAOYSA-N 441.988 5.230 30 10 IKEE CCCOc1c(C=Nn2c(SCc3ccccc3C)nnc2C2CC2)cccc1OC 2331730122 REJADXRCYCPHRC-UHFFFAOYSA-N 436.581 5.436 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3c(C)cc(C)cc3C)cc2[N+](=O)[O-])cc1 2331768943 PBUINNNWOJPITO-UHFFFAOYSA-N 443.499 5.873 30 10 IKEE CC(C)C[C@@H](CNC(=O)OC(C)(C)C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339579373 VGWIDWYBKFHLGO-HYSAVQALSA-N 446.397 5.044 30 10 IKEE CC(C)(C)OC(=O)N[C@@]1(C)C[C@H]2CC[C@H]1C[C@]2(C#N)Nc1cccc(Br)c1 2381194864 HXFNKPXTVWZJKY-XSRQCEPYSA-N 434.378 5.227 30 10 IKEE C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCCC(C)(C)O)C2)C[C@@H](O)C[C@@H]1O 3783963 WGTOPFVLLJBMFZ-QXTVKLKRSA-N 430.673 6.095 30 10 IKEE CCCCN1C(=O)/C(=C2\Sc3ccccc3N2CC)S/C1=N/CCc1ccccc1 17778863 VONRVYZOAFQXHY-PSBCSISTSA-N 437.634 5.762 30 10 IKEE COc1ccc(/N=C2/NC(=O)S/C2=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 33567920 WSPFCNXSHKHCGF-UNOMPAQXSA-N 444.434 6.502 30 10 IKEE CCOc1ccc2oc(C)c(C(=O)Oc3ccc4c(c3)O/C(=C\c3ccc(C)o3)C4=O)c2c1 35550584 FIEYEWIVRJRQNH-QRVIBDJDSA-N 444.439 5.877 30 10 IKEE C=CCC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C1CC1 36346354 XVAXQTMPAAQWTM-QHCPKHFHSA-N 435.543 5.404 30 10 IKEE Cc1csc(/N=C2/S/C(=C\C=C\c3ccccc3[N+](=O)[O-])C(=O)N2c2ccccc2)n1 39865537 KIUBIQYZVUGXOV-RTLGROIDSA-N 448.529 5.725 30 10 IKEE C=CCc1ccccc1OCCCCn1c(CCCCCNC(=O)CC)nc2ccccc21 40211170 YYCJVBBMYTXYIF-UHFFFAOYSA-N 447.623 5.863 30 10 IKEE COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OC(=O)/C=C/c1ccc(Cl)cc1 40844615 GMCIHNFNBBXBMJ-UKTHLTGXSA-N 444.870 5.430 30 10 IKEE C=C(C)COc1ccccc1NC(=O)CNCCCCCCCCCCCCCCCC 100055759 OKEWMFRMOUZZNX-UHFFFAOYSA-N 444.704 7.651 30 10 IKEE C=CCOc1ccc(C(=O)Nc2ccc(OCCCCCCC)cc2)cc1Br 100211585 YCQJEXRVGBHTBN-UHFFFAOYSA-N 446.385 6.615 30 10 IKEE CCCCCCCCn1c(CCCNC(=O)COc2cc(C)ccc2C)nc2ccccc21 102159656 QODZZTFMQQGQMR-UHFFFAOYSA-N 449.639 6.141 30 10 IKEE O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2ccccc2)/C1=C(/O)c1ccc(F)cc1 102609355 NBJGHJSMIDKCJL-GOBJLOIFSA-N 441.380 5.471 30 10 IKEE Cc1ccc([C@@H]2/C(=C(/O)c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc1 103097690 CTHXWBFZDBUQQK-LAFOYAEKSA-N 438.936 5.348 30 10 IKEE CC(C)n1ncc2c(C(=O)N[C@@H](C#N)c3ccc(F)cc3F)cc(-c3cccs3)nc21 111030155 OVFLJLOGVRMMQM-IBGZPJMESA-N 437.475 5.014 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccc(OC)cc2)c1 169926416 FWPGNUHMWGBEFX-XMMPIXPASA-N 443.499 5.185 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@H](c2cccc(OCc3ccc(C)cc3)c2)NC(=S)N1C 169935185 QGYWBGZFHJMWJZ-VWLOTQADSA-N 442.584 5.592 30 10 IKEE CCCOc1c(OC)cc(/C=N\Nc2nc(-c3ccc(Cl)cc3)cs2)cc1[N+](=O)[O-] 169940323 IWHNPKMWFKNXPV-JJFYIABZSA-N 446.916 5.615 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccs1 169986972 ADLVNPHLJUUSSP-OAQYLSRUSA-N 449.915 6.239 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2cccnc2)cc1C 170005391 LUPORPRDMMUEEC-QFIPXVFZSA-N 432.907 5.443 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@@H]2c2cccnc2)ccc1F 170009464 TXCSZBQRLVSEAE-OAQYLSRUSA-N 436.870 5.274 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2cccc3ccccc23)cc1 170044549 USCNSQYAVYDINV-OFVILXPXSA-N 441.527 5.160 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2ccccc2)cc1 170049064 DZZDBUBMAGTXQP-VWLOTQADSA-N 439.511 5.528 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(F)cc2)c1 170061999 AEWYCLJGAVPNLK-QHCPKHFHSA-N 447.462 5.016 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccc(F)cc2)c1 170063153 GOKUHOXYFMMSAB-JOCHJYFZSA-N 435.882 5.879 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccco2)cc1 170090779 PXXAWNISLQKTLH-NRFANRHFSA-N 446.459 5.268 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2cccc(C)c2)c1 170140984 UOFXKXIPWKUXNP-RUZDIDTESA-N 441.527 5.874 30 10 IKEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc(C)c1 170147934 IOAMPBXZVXFOCX-RUZDIDTESA-N 442.559 5.068 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2cccs2)cc1C 170158153 XYRJQCZPAWPARO-XMMPIXPASA-N 439.536 6.301 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccs2)cc1C 170161295 BRVLZKVXUYRGCA-QFIPXVFZSA-N 444.512 5.028 30 10 IKEE NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1Cc1cccc(C(F)(F)F)c1 170179719 SWLOHXJOOKAHJR-UHFFFAOYSA-N 449.885 5.195 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2)cc1Cl 170223404 MSXYDCWRRHWQBB-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccccc2)cc1 170226894 PEXCPCTUEVNBCS-HSZRJFAPSA-N 447.918 5.910 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1Cc1cccs1 170269976 SGUSUOZRWLJHLU-DEOSSOPVSA-N 439.536 5.988 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccc(C)o2)cc1 170301307 QBMOVPWQALTXIL-QHCPKHFHSA-N 447.487 5.167 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(O)c(Cl)c2)c1 170367300 GQABSHPOXNPHBP-QFIPXVFZSA-N 433.891 5.445 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2c(C)[nH]c3ccccc23)c1 170402913 QCYJRTOSBICNFT-DEOSSOPVSA-N 438.483 5.268 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2c(C)[nH]c3ccccc23)c1 170403410 RMQHEERVBLILHX-HSZRJFAPSA-N 426.472 5.469 30 10 IKEE COc1ccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(OC(F)(F)F)cc2)cc1 170426360 ROUKRQNJWPNWIY-GOSISDBHSA-N 449.425 5.109 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2nc3cc(C)c(C)cc3s2)c1 170462104 NBZZCKQUNXOJTR-HXUWFJFHSA-N 434.561 5.737 30 10 IKEE CC(=NN1C(=O)CN(Cc2ccccc2)[C@@H]1c1cccc(Cl)c1)c1ccc(Cl)cc1 252593508 BKLPEKOJKKUVLX-DEOSSOPVSA-N 438.358 5.761 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3)cc2C=Nc2ccccc2OC(F)F)cc1OC 254778214 YUMAPTIMRPLUDP-UHFFFAOYSA-N 449.457 5.909 30 10 IKEE CC1(C)OB(c2ccc(COc3ccc(OCc4ccccc4)cc3)c(F)c2)OC1(C)C 303247702 XBJDOQINCIYJER-UHFFFAOYSA-N 434.316 5.283 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccc(O)c([N+](=O)[O-])c1 526807160 LBCJNXSLTPNVRR-UUYOSTAYSA-N 445.932 5.062 30 10 IKEE C=CCCN(c1cccc(Br)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586241847 RNSHVTDACMWEOM-UHFFFAOYSA-N 435.170 5.527 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@H](C#N)c1ccc(Br)c(Cl)c1 710721579 VGAARFJHXRMLIX-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE COc1cccc(C=Nc2nc(-c3ccc(C)cc3C)c(-c3ccc([N+](=O)[O-])cc3)s2)c1 1084249326 QOAYAOIWFPHPFI-UHFFFAOYSA-N 443.528 6.761 30 10 IKEE CCOc1cc(C=Nc2sc3c(c2C(=O)Nc2ccccc2)CCCC3)ccc1OC 1084437610 FVYHJEVDMRMKIM-UHFFFAOYSA-N 434.561 6.037 30 10 IKEE C#CCN(C(=O)OCC1c2ccccc2-c2ccccc21)c1c(F)cc(C(=O)O)cc1F 1554770943 RNEWQQHFMHHFHL-UHFFFAOYSA-N 433.410 5.052 30 10 IKEE C=CC[C@@H]1N(C(=O)CSCc2nc(O)c3c4c(sc3n2)CCCC4)CCCC1(C)C 1635423393 WWIRTQQJPQSYGS-KRWDZBQOSA-N 445.654 5.102 30 10 IKEE CN(C)c1ccc(/C=C2\SC(=Nc3cccc(C(=O)O)c3)N(C3CCCCC3)C2=O)cc1 1772733817 CTUPRIGJQDVAQJ-JXJWTFEASA-N 449.576 5.388 30 10 IKEE COc1cccc(/C(C)=C2\SC(=Nc3cccnc3Cl)N(c3ccccc3)C2=O)c1 1772735929 WEPJQTNUELOXDH-OIYMOPNQSA-N 435.936 5.942 30 10 IKEE Fc1c(F)c(F)c(-c2cccc(C(F)(F)F)c2I)c(F)c1F 1848359544 FJEANOLFHIPEHB-UHFFFAOYSA-N 438.055 5.673 30 10 IKEE CCc1nc2sc(C)c(-c3ccc(OC)c(C)c3)c2c(=O)n1Cc1cccc(C#N)c1 1857802938 RNPRHJBELSJMGZ-UHFFFAOYSA-N 429.545 5.233 30 10 IKEE Cc1ccc(-n2cc(/C=N\NC(=S)Nc3ccccc3)c(-c3ccccc3)n2)cc1C 1857809345 RXTSGRLMIFKJPT-QQXSKIMKSA-N 425.561 5.477 30 10 IKEE N#Cc1cccc(C(=O)Oc2cccc3c(NC(=O)c4ccc(Cl)cc4)cccc23)c1 1858920681 HNTDYOWJKJEKSX-UHFFFAOYSA-N 426.859 5.836 30 10 IKEE N#Cc1ccc(NC(=O)c2cc(-c3cccs3)n(Cc3c(F)cccc3Cl)n2)cc1 1859410536 NQVYFYCKWMFUCP-UHFFFAOYSA-N 436.899 5.576 30 10 IKEE COc1cccc(-c2nc3ccc(C(=O)Nc4sc5c(c4C#N)CCCC5)cc3o2)c1 1859743038 VALLKWJQZXVEOW-UHFFFAOYSA-N 429.501 5.568 30 10 IKEE C=CCN(CC=C)C(=O)Cc1c(C)c2c(cc(C)c3c(-c4ccccc4)coc32)oc1=O 1860281377 HFKALOCPLROSEJ-UHFFFAOYSA-N 427.500 5.566 30 10 IKEE CC(C)OC(=O)c1ccc(CSc2nc(O)c(C#N)c(-c3cccc(Cl)c3)n2)cc1 1860466541 YRPTZMRAYLGLIZ-UHFFFAOYSA-N 439.924 5.232 30 10 IKEE Cc1ccc(-c2csc(SCC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)n2)cc1 1860795874 PADSPJBFJWDXBJ-AWEZNQCLSA-N 439.631 5.907 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)[C@@H](C)Oc1ccc(C(C)C)cc1 1861682928 MGJBSPLVWUWTKI-ZJSXRUAMSA-N 432.649 5.729 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862394410 GDNQUIRYHSSAOV-BXKMTCNYSA-N 430.548 5.887 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCC(C)C)c1 1862437467 RMOOLHZRSAGUEE-QFIPXVFZSA-N 441.955 5.753 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccccc2)cc1 1862441428 IBXKKKOBWVLJNX-OSPHWJPCSA-N 445.946 6.242 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862445488 WYGWQPSGMKNPNR-HSZRJFAPSA-N 449.909 5.820 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCOc2ccccc2)cc1 1862486945 OLGDUQBIYCLURP-VWLOTQADSA-N 441.527 5.269 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862532395 CENLOILIPRGHEL-QHCPKHFHSA-N 426.472 5.102 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2C2CCCC2)c1 1862537001 LYSDXKSBVWYRIK-XMMPIXPASA-N 433.548 5.559 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(Br)cc1 1862540193 IMKHQBUYQUNFIB-HXUWFJFHSA-N 442.353 5.390 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCC(C)C)cc1 1862601151 XPQLXPRPNBEFJQ-QHCPKHFHSA-N 437.536 5.196 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCC)cc1 1862622529 KWUJYGMMNXRSSD-HSZRJFAPSA-N 435.564 5.761 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc([N+](=O)[O-])cc1 1862654884 UWHHHVOUGFGKAR-OYHNWAKOSA-N 430.460 5.125 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CC(C)C)c1 1862655478 JLTVMHLHZHRBMN-RUZDIDTESA-N 443.543 5.863 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc(F)c1 1862672317 AGNIYDJBAYRXLF-IRLDBZIGSA-N 427.491 5.902 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)c1 1862676503 KNNAOZUHNWGZNE-JFJYTDJESA-N 437.511 5.381 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccccc2C)cc1 1862686848 DLKGTZDZUOWTIJ-XMMPIXPASA-N 431.532 5.472 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(Cl)cc1 1862689139 JAARDBHCUNGXOB-OAQYLSRUSA-N 427.928 5.507 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccccc2Cl)cc1 1862689714 XQVINOKKHVQDMU-HJPURHCSSA-N 447.918 5.688 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2cccc(C)c2)c1 1862698803 NOBVVYMOOOBSSG-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(C(F)(F)F)cc1 1862705828 HWRTXOMEBHSDQQ-ORAYPTAESA-N 433.426 5.091 30 10 IKEE COc1ccccc1C1=C(Nc2cccc3ccccc23)C(=O)N(c2cccc(C#N)c2)C1=O 1863060433 RUDLMJMHPYSHDY-UHFFFAOYSA-N 445.478 5.117 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(Nc3cccc(C#N)c3)=C(c3cccs3)C2=O)cc1 1863477492 CEMMUYAGOWUZAE-MRXNPFEDSA-N 427.529 5.135 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(CCC(N)=O)cn1 1866032063 ANQKOWSPGBWXLS-UHFFFAOYSA-N 431.665 6.700 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1nnc([C@H]2CCCO2)s1 1866032344 JUHGMWONFVZUGE-OAQYLSRUSA-N 437.694 7.590 30 10 IKEE CC(C)[C@@H](CC(=O)N[C@@H](C(=O)Nc1cccc(C#N)c1)c1ccccc1)c1ccc(F)cc1 1866748472 IMNAWTRWVMLZQI-AOYPEHQESA-N 443.522 5.323 30 10 IKEE CC[C@@](C)(NC(=O)[C@@H](c1ccc(Cl)cc1)C1CCCC1)C(=O)Nc1ccccc1C#N 1867007324 ICTYPBKJOLCRGX-RCZVLFRGSA-N 437.971 5.409 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)[C@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(C)C 1868865725 NBSQENRPYGEPMN-PMACEKPBSA-N 425.400 5.074 30 10 IKEE C=CCn1cc(OCCCCOc2cccc(C)c2)c(=O)cc1CN1C[C@H](C)C[C@@H](C)C1 1870315422 JJIVYJFPUMSPSO-DHIUTWEWSA-N 438.612 5.059 30 10 IKEE CCCCCCCCn1cc(OCCCC(=O)OCC)c(=O)cc1CN1CCC[C@@H](C)C1 1870368426 POBWAFAUMTXZIZ-JOCHJYFZSA-N 448.648 5.163 30 10 IKEE C=CCOc1cn(Cc2ccccc2C)c(CNc2ccc(C(F)(F)F)cc2)cc1=O 1870809638 NMWGWSTVHZPYIU-UHFFFAOYSA-N 428.454 5.401 30 10 IKEE C=CCOc1cn(CCc2ccc(F)cc2)c(CNc2ccc(N3CCCC3)cc2)cc1=O 1870809806 WVPMCSULBCAXBQ-UHFFFAOYSA-N 447.554 5.007 30 10 IKEE O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)C2=O 1871375205 YWFMKFMQEUJXML-YMXXVVGASA-N 446.842 5.304 30 10 IKEE Cc1cc(OC(=O)Cc2ccc(Cl)c(Cl)c2)cc2c1C(=O)/C(=C/c1ccccn1)O2 1871376972 NQHXVVRYXFJADK-JAIQZWGSSA-N 440.282 5.461 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O)c1ccc(-n2cccc2)cc1 1871384517 WLHPCHKCHUINBR-IWIPYMOSSA-N 441.870 5.966 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(N(C)C)cc2)C3=O)c1 1871387260 LZWIAJVNVSAKPF-IWIPYMOSSA-N 443.499 5.295 30 10 IKEE C[C@H]1C[C@H](C)CN(Cc2c(O)ccc3c2O/C(=C\c2ccccc2OC(F)F)C3=O)C1 1871396686 REBUDMNXPJYNKG-QZNHCPNFSA-N 429.463 5.088 30 10 IKEE Cc1cc(OCCOc2cccc3ccccc23)cc2c1C(=O)/C(=C/c1ccccc1F)O2 1871415876 YKQQXHSQPGHAPV-QQXSKIMKSA-N 440.470 6.361 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4c(C)cccc4C)cc(C)c3C2=O)cc1 1871430559 KJVHTCDQQUMMMO-CFKHXJFWSA-N 441.527 5.942 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccccc3Cl)cc(C)c2C1=O 1871455160 CRQRCSBIJVSJCF-UUYOSTAYSA-N 433.891 5.591 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4C(C)C)cc(C)c3C2=O)c1 1871456291 XDUMPPFJTHLLKW-QFEZKATASA-N 441.527 6.061 30 10 IKEE CCN(CC)C(=O)COc1cc(C)c2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O 1871460897 KMFCWBBBQSAFFM-ODLFYWEKSA-N 434.319 5.165 30 10 IKEE C=CCN=c1nc(Nc2ccc(OCCC)cc2)[nH]c(N(CCCC)CCCCCC)n1 1871725008 OVLLNLZNKWFKQJ-UHFFFAOYSA-N 440.636 5.611 30 10 IKEE C=CCN([C@H](CC)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1cc(C)ccc1C 1872225241 CJPQNKBLZPOVLE-JOCHJYFZSA-N 442.625 5.195 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(C)c(C)c1 1872555719 WZEOIDYZVGJRLC-XMMPIXPASA-N 442.625 5.294 30 10 IKEE N#Cc1cccc(NC(=O)c2ccc3nc(-c4ccccc4OCc4ccccc4)[nH]c3c2)c1 1872735524 XUILWDGWSBEEIJ-UHFFFAOYSA-N 444.494 5.933 30 10 IKEE N#C[C@@H](C(=O)/C=C\c1ccc(Cl)cc1)c1nc(-c2cccc(Br)c2)cs1 1872763888 XXNSMECKARLTMJ-SKHCZCESSA-N 443.753 6.116 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2C)cs1 1872769364 QGAZABZMHOYNRI-AWEZNQCLSA-N 431.344 6.232 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-n4cccc4)cc3)n2)cc1 1872769923 DCRZJXWUEXDYSL-JOCHJYFZSA-N 427.529 5.880 30 10 IKEE N#C[C@@H](C(=O)c1ccc(Cl)nc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872779335 HRNGQNKQZFJQGF-IBGZPJMESA-N 431.904 6.141 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)s3)n2)c(OCC)c1 1872783580 DDYXTKFWCGOROE-AWEZNQCLSA-N 432.954 5.812 30 10 IKEE COc1ccc(NC(=O)c2ccc(CSc3nc(C)c(C)c(C)c3C#N)cc2)cc1OC 1872895438 UEXGITIXCZRLRR-UHFFFAOYSA-N 447.560 5.440 30 10 IKEE CCCCCCCCCCNC1=C(c2cccnc2)C(=O)N(CCCOCCCC)C1=O 1873076727 DUPNJCDUIZWSNC-UHFFFAOYSA-N 443.632 5.099 30 10 IKEE CCCCCCCCN1C(=O)C(NCCc2c[nH]c3ccccc23)=C(c2ccccc2)C1=O 1873154761 MBMSOAJENUTVDZ-UHFFFAOYSA-N 443.591 5.441 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@H](CC)CCCCC)=C(c2cccs2)C1=O 1873156004 PVBYUQBBJDFOTF-OAQYLSRUSA-N 446.701 6.917 30 10 IKEE C=CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1cccc([N+](=O)[O-])c1 1874244545 BSTQXXKMLGOCEO-BUVRLJJBSA-N 437.569 5.106 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccc(Cl)cc3)n2/N=C/c2ccc[nH]2)cc1 1874281191 WGDUZJWJJPPFOC-CVKSISIWSA-N 435.984 5.528 30 10 IKEE COc1ccc(OCc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccccc2)cc1 1874293355 YXDJEVIWOQCVII-CVKSISIWSA-N 448.523 5.179 30 10 IKEE Cc1cccc(/C=N/n2c(Cc3ccc(Cl)cc3)nnc2SCc2cccc(C)c2)c1 1874337079 SBQVTTGEQFPPTN-JVWAILMASA-N 447.007 6.314 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccc3Cl)n2/N=C/c2ccccc2)cc1 1874366612 LNKMIHXPURTOQX-ZVHZXABRSA-N 449.923 5.681 30 10 IKEE Clc1cccc(CSc2nnc(COc3ccccc3)n2/N=C/c2ccccc2)c1 1874386701 CPVODTMOMJWYSX-MFKUBSTISA-N 434.952 5.685 30 10 IKEE Cc1ccccc1CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1ccc(O)c(O)c1 1874392484 NPLALGHUDNNBOT-CMPFEXHJSA-N 444.560 5.324 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2-c2cccs2)cc1 1874424127 WDBHJGQSOFAYLW-MFKUBSTISA-N 442.569 6.040 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2[C@H]2CCCO2)cc1 1874447658 IVECGXUMXVZCRU-NJRDNMGOSA-N 436.581 5.401 30 10 IKEE Clc1cccc(CSc2nnc([C@H]3CCCO3)n2/N=C/c2ccccc2Cl)c1 1874450385 AILQFWXXVFYCCO-BYWZACNXSA-N 433.364 5.611 30 10 IKEE CCCCCCOc1ccc(/C=N/n2c(SCCC)nnc2-c2ccco2)cc1OC 1874467867 GGNLVYLWXMLBER-JJIBRWJFSA-N 442.585 5.890 30 10 IKEE COCCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(Cl)cc1Cl 1874472122 NPDCJQDXXMUSSF-FOKLQQMPSA-N 439.343 5.087 30 10 IKEE CC(C)Cc1nnc(SCCc2ccccc2)n1/N=C/c1ccc(Cl)cc1Cl 1874490167 CMRIFQMAKJSKRA-ZVHZXABRSA-N 433.408 6.000 30 10 IKEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(CC)cc3)nnc2C2CCC2)cc1 1874493995 PDRMFTKLRADWKZ-WGOQTCKBSA-N 447.608 5.283 30 10 IKEE Oc1ccccc1/C=N/n1c(SCc2ccc(Cl)c(Cl)c2)nnc1C1CCC1 1874497420 JMPMZXJPNKZZAT-FOKLQQMPSA-N 433.364 5.733 30 10 IKEE CCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1cccc(Br)c1 1874526577 VSSFYVUCIPUUJG-WSDLNYQXSA-N 429.387 5.394 30 10 IKEE CCc1nnc(SCc2ccccc2F)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874526723 CUVKJHXOVHPCMW-JVWAILMASA-N 446.551 5.733 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2ccc([N+](=O)[O-])cc2)cc1 1874578133 YHHUEKUADNOMLB-LFIBNONCSA-N 433.460 5.477 30 10 IKEE COC(=O)c1ccc(COc2ccc3ccccc3c2/C=C/C(=O)c2ccc(F)c(F)c2)o1 1874585500 WQNNYFLFBYBPKW-PKNBQFBNSA-N 448.421 5.973 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccccc2OCc2ccc(Cl)cc2)c1 1874586045 SSMWGNPPWLRUSN-RVDMUPIBSA-N 436.935 6.613 30 10 IKEE COC(=O)COc1ccc(Br)cc1/C=C/C(=O)c1cc(Cl)ccc1Cl 1874591621 UMZHFMXKXSZXBK-QHHAFSJGSA-N 444.108 5.204 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OCC(=O)Nc2ccc(C)c(C)c2)c1 1874601226 ZUBQBMMBSUYQRK-DHZHZOJOSA-N 449.934 5.879 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2F)c(Br)c1)c1ccc(F)cc1F 1874611241 DHKVCWSQQHEUQY-WEVVVXLNSA-N 447.250 6.342 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(Cl)c(OCc2ccccc2F)c(OC)c1 1874619974 CBINYDJKDAEKPR-MDZDMXLPSA-N 440.898 6.280 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OCCc2ccccc2)c([N+](=O)[O-])c1 1874635505 PJQPDBHSECKXSZ-SDNWHVSQSA-N 443.543 6.718 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(Cl)c3)cc2)c(OC)c1OC 1874639588 GYWSROCYTVBVFX-UKTHLTGXSA-N 438.907 5.841 30 10 IKEE CCOc1cccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c(OC)c3)c2)c1 1874693971 GAZKTRHJWVZDHK-ACCUITESSA-N 432.472 5.218 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2cccc(F)c2)c1)c1cccc(Br)c1 1874697940 RVVXYIJVQVJMDW-ZHACJKMWSA-N 425.253 5.704 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2)cc1OC(=O)[C@H](C)Oc1ccc(C(C)C)cc1 1874701061 ZPQPDYYWPACFBL-QGRTWZNFSA-N 444.527 6.088 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)CCc3ccccc3)c2)cc1 1874701397 QPJHZVUWXYZEDE-CXUHLZMHSA-N 430.500 5.528 30 10 IKEE Cc1cc(C(=O)/C=C/c2cccc(OC(=O)Cc3cc(Cl)ccc3Cl)c2)ccc1F 1874704033 TZTRELRWYLIRQS-BJMVGYQFSA-N 443.301 6.485 30 10 IKEE COc1ccccc1CC(=O)Oc1cccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)c1 1874712310 SNBFDGHDGONVMH-WYMLVPIESA-N 430.500 5.365 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cccc(OC(=O)Cc2ccc(C)cc2)c1 1874715139 FTISGXVZZWTXDW-VAWYXSNFSA-N 434.919 6.010 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccccc2OCC)CSc2nnc(CCC)n21 1874860219 LGZAZYKWSQWHAX-FQEVSTJZSA-N 444.645 5.692 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)ccc1OC(=O)c1ccc(C)c(C)c1 1875109309 HVAVRJFZAZOJFI-XYOKQWHBSA-N 444.527 6.134 30 10 IKEE O=C(COCc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1Cl 1875113317 DVSYFKCEIXHMOG-ZRDIBKRKSA-N 441.310 6.012 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OC(=O)c1ccc(Cl)cc1 1875127667 RHUAETBZHBQUKQ-KPKJPENVSA-N 427.283 6.117 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3cccs3)c(OC)c2)cc1 1875129238 QSTYWDOUMRDZBJ-IZZDOVSWSA-N 442.920 5.924 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)cc2)c(C)c1 1875131654 IKJFYROXTIQZKT-MTKZGYOSSA-N 430.931 6.562 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)c1ccc(C)c([N+](=O)[O-])c1 1875133755 ATBYLLALWRVXMC-YRNVUSSQSA-N 445.471 5.644 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)CSc3ccccc3)c([N+](=O)[O-])c2)cc1 1875135833 JRISOBHGNMIPDP-UKTHLTGXSA-N 433.485 5.497 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1OC(=O)c1ccccc1F 1875136510 CAIPDPCHAVXETJ-JLHYYAGUSA-N 449.434 5.556 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2Cl)c1 1875148237 ICVHHLDEIBWIPS-RIYZIHGNSA-N 448.946 6.761 30 10 IKEE C[C@H](C(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1Cl)c1ccccc1 1875149834 KCHQINOOHLZDPU-JCVNQNCUSA-N 434.875 5.674 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(F)c3)cc2)cc1 1875152916 VMWXFNQVAYCGCD-XNTDXEJSSA-N 432.491 5.831 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)cc3)c(OC)c2)cc1F 1875153702 UCIXGFDYETWOCT-DHZHZOJOSA-N 434.463 5.196 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(OC)c1OC(=O)C1CCC1 1875154630 OHOMFAUPEVBGJT-FOCLMDBBSA-N 426.512 6.179 30 10 IKEE CN[C@H](CC#CC1CC1)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875685168 AEASACZEHNXRRG-UHSQPCAPSA-N 441.571 5.270 30 10 IKEE O=C(Nc1cccc(C(F)(F)F)c1F)N1CCN(c2cccc(C(F)(F)F)c2)CC1 1891502212 WNKRALJEMUIOBQ-UHFFFAOYSA-N 435.343 5.217 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NC)c1cc(Br)sc1Br 1922116582 RNGLJYNGEIZZSY-OAHLLOKOSA-N 431.193 5.307 30 10 IKEE C[C@@H]1CC[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)[C@@H](OCc2ccccc2)C1 1977491856 RUGMZTKBFCIWGM-PLMTUMEDSA-N 426.479 5.454 30 10 IKEE C#CCN(CC(C)(C)C)C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1984725511 JBFFSRXMIQFFLT-RUZDIDTESA-N 446.591 5.058 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@](C#N)(N(C(=O)OC(C)(C)C)C3CCCCC3)C[C@H]2C1 1996794389 CWZRLQZHEUJSRB-PFWHTEFJSA-N 433.593 5.095 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1cnn(CC)c1NC(=O)OC(C)(C)C 2015157861 HKOAJDVXLVEAKM-OAQYLSRUSA-N 428.577 5.064 30 10 IKEE CCN1CC(=Cc2ccc(Cl)c(Cl)c2)C(=O)C(=Cc2ccc(Cl)c(Cl)c2)C1 2040457977 SLUYHMQHCNSIMF-UHFFFAOYSA-N 441.185 6.672 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)[C@@H](C)CN(C(=O)OC(C)(C)C)C[C@H]1C 2042149085 OGRSSPAZUWCQDW-XMZFGDCGSA-N 443.588 5.522 30 10 IKEE C=CCC[C@@H](C)C(=O)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071349801 SHMMLFFYBOOVKK-PIKZIKFNSA-N 430.544 6.049 30 10 IKEE COc1ccc([C@@H](n2nc(C(C)(C)C)c(C=NO)c2Br)C(C)(C)C)cc1F 2080117592 HOULHPDOOZLOGH-QGZVFWFLSA-N 440.357 5.534 30 10 IKEE Fc1c(-c2c(C(F)(F)F)nn([C@@H]3CCOC3)c2Br)cccc1C(F)(F)F 2080913346 ODUGQZIYKQXBQP-SSDOTTSWSA-N 447.148 5.451 30 10 IKEE C=CCC1([C@H](NC)c2cc(Cl)cc(Br)c2)CN(C(=O)OC(C)(C)C)C1 2081566283 ODIQJKYHGHCALW-MRXNPFEDSA-N 429.786 5.176 30 10 IKEE CCCC#CC[C@@H](NCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2083446148 GGOUFUFEDJKXBE-HHHXNRCGSA-N 427.588 6.689 30 10 IKEE N#Cc1cc(Nc2cc(Br)c(Br)c(Br)c2)ccc1N 2095446443 VWCBERJDTTZTCQ-UHFFFAOYSA-N 445.940 5.172 30 10 IKEE C=CCN(CC[C@H](NCCC)c1c(C)sc(C)c1Br)C(=O)OC(C)(C)C 2099292338 IAJJEZCPSKCSAU-INIZCTEOSA-N 445.467 5.981 30 10 IKEE CC(C)(C)[C@@H]1CC=C(C(=O)c2ccc(Br)cc2I)CC1 2207271809 KFIDLYFESXWCBH-GFCCVEGCSA-N 447.154 6.009 30 10 IKEE N#C[C@@H](C(=O)c1cc(Br)c(Br)s1)c1ccc(F)c(Cl)c1 2233366862 TXJTYOKGQLXCDK-SSDOTTSWSA-N 437.515 5.556 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)CC(C)(C)[C@H](C)NC(=O)OC(C)(C)C 2235716159 DWMDMWGYKCCQCV-WMZOPIPTSA-N 437.422 5.108 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(C)cc(Br)c1 2237249764 PZWZFQPTPDQYIX-GOSISDBHSA-N 431.330 5.773 30 10 IKEE C=CC[C@H](C)[C@H](NCCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237415570 YXVCNNLPLGBCMT-DBVUQKKJSA-N 439.438 5.465 30 10 IKEE C=CCCCCC[C@@H](NC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237425954 ZLKUUOSWIWVNKZ-UXHICEINSA-N 439.438 5.609 30 10 IKEE Cc1c(Cl)cc(C(=O)N(Cc2ccccc2)CC2CC2)cc1B1OC(C)(C)C(C)(C)O1 2255814806 DRNDKHCNRDHMJC-UHFFFAOYSA-N 439.792 5.000 30 10 IKEE C=C1CCC(C[C@H](NCC)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)CC1 2256712007 QGZXTENKPPEOPP-DEOSSOPVSA-N 442.644 5.555 30 10 IKEE C=C(COCc1ccccc1)[C@]1(OCCCN)CN(Cc2ccccc2)C2(CCCCC2)C1 2277207894 DWMCZXNFROWVMR-GDLZYMKVSA-N 448.651 5.472 30 10 IKEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@H](CC(C)(C)C)NC(=O)OC(C)(C)C 2296216763 NKARRVXCDCECEX-RBUKOAKNSA-N 437.422 5.108 30 10 IKEE Cc1ccc(Cl)cc1-c1ccc(C=C2SC(=Nc3ccccc3Cl)NC2=O)o1 2297303473 BFHPEEGDNAPDDT-UHFFFAOYSA-N 429.328 6.453 30 10 IKEE COc1cc(C=C2SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)ccc1OCC#N 2297561282 VXXUPQJEESMHMU-UHFFFAOYSA-N 449.315 5.141 30 10 IKEE CC(C)N[C@](C#N)(CC1CCC1)CN(CCN(C)Cc1ccccc1)Cc1ccccc1 2318401835 KNWYHMMBWZEUCS-NDEPHWFRSA-N 432.656 5.071 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCc4cc(Cl)cc5c4OCOC5)cc(C)c3C2=O)o1 2321883979 RUKLWBOZYUJGAK-UHFFFAOYSA-N 438.863 5.612 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(S)nnc1CCc1cccc2ccccc12 2322206869 FWPIBNHPKDVLGE-UHFFFAOYSA-N 438.556 5.549 30 10 IKEE O=C(C=Cc1c(OCCc2ccccc2)ccc2ccccc12)c1ccc2ccccc2c1 2322318066 DZUCSEAXXRXPNA-UHFFFAOYSA-N 428.531 7.511 30 10 IKEE COc1cccc(C=CC(=O)c2ccc3ccccc3c2)c1OCc1cccc2ccccc12 2322328324 ACQRCXRLLOOVBN-UHFFFAOYSA-N 444.530 7.477 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)c1OCc1ccc(C)cc1 2322585943 IVKFHZQQPRVIQD-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE CCN(CC)C(=O)COc1ccc(Br)cc1C=CC(=O)c1ccc(F)c(C)c1 2322627559 ACJPPERAMZTBER-UHFFFAOYSA-N 448.332 5.040 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)NCc2ccccc2)cc1C 2322894415 GYDLSHYMULKIEG-UHFFFAOYSA-N 433.935 5.548 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCc2c(F)cccc2Cl)c(OC)c1 2322901538 IYJSOGZSPHUQHY-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OC(=O)c4cccc(Cl)c4)cc(C)c3C2=O)cc1 2322915958 CAWIUPYZAHJDKL-UHFFFAOYSA-N 434.875 5.883 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2cccc(OCc3cccc(F)c3)c2)cc1Cl 2323279961 RBNQUMSFPHCNPH-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE COc1ccccc1C=C1Oc2cc(OC(=O)C=Cc3ccc(C(C)C)cc3)ccc2C1=O 2323502228 WAUHIUCQSHMRJN-UHFFFAOYSA-N 440.495 6.054 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc3C2=O)c1 2323630934 GWEJPZHZCNMHGH-UHFFFAOYSA-N 444.483 5.565 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3nccs3)c(Cl)c2)cc1 2323832234 ZXNGDMMJPIBQES-UHFFFAOYSA-N 442.924 5.109 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 2324059125 XBEVUCIJOCRPNT-UHFFFAOYSA-N 439.382 7.766 30 10 IKEE Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccncc2)C3=O)c(C)c1 2324331968 LITJPICGTCMUNB-IBGZPJMESA-N 442.515 5.337 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)ccc1OCc1ccc(C)cc1 2324665931 ZSYMIWABKZMSAI-UHFFFAOYSA-N 441.354 7.176 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(C(C)C)cc3)n2)cc1C 2324825638 WQRDSVGXHZSVRF-QFIPXVFZSA-N 430.573 6.449 30 10 IKEE COc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 2324834549 TZHPMRQBHSILHE-KRWDZBQOSA-N 429.328 6.015 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1sccc1C)C2=O 2325007766 SZCRDSDJIYCJJQ-UHFFFAOYSA-N 447.556 5.869 30 10 IKEE Clc1ccccc1CSc1nnc(CCc2ccccc2)n1N=Cc1ccccn1 2325449118 ZUEHODYMDCWLAF-UHFFFAOYSA-N 433.968 5.286 30 10 IKEE Cc1cccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccc(Cl)cc2)c1 2325461758 WFKCBDQVDFQKSR-UHFFFAOYSA-N 447.007 6.200 30 10 IKEE Cc1c(OCC(=O)Nc2c(F)cccc2F)ccc2c1OC(=Cc1cccc(F)c1)C2=O 2325511842 ZVVJNUHFLIOXHY-UHFFFAOYSA-N 439.389 5.046 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1N=Cc1cccc(Br)c1 2325513302 JZSDQGFGWNEVNE-UHFFFAOYSA-N 447.377 5.697 30 10 IKEE COc1cc(C=CC(=O)C(=O)N(c2ccccc2)C(C)C)ccc1OCc1ccccc1 2325652793 PIFMOGCASWFLJG-UHFFFAOYSA-N 429.516 5.298 30 10 IKEE COc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)Cc1cc(C)ccc1C 2325721088 JIYUBSGHTDAVQT-UHFFFAOYSA-N 445.471 5.264 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2cc(C=CC(=O)c3ccccc3)ccc2OC)cc1 2325731269 VUBBTISTCWTOPG-UHFFFAOYSA-N 444.527 5.918 30 10 IKEE CCc1ccccc1OCC(=O)Oc1cccc(C=CC(=O)c2ccc(OC)c(C)c2C)c1 2325755630 PINALIMQIVMYGE-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(F)cc3F)c2)cc1C 2325770919 WCGTUJPUNOAGRE-UHFFFAOYSA-N 436.454 5.634 30 10 IKEE CSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1N=Cc1ccc(Cl)cc1 2325831135 NTJXLCMYSREHIN-UHFFFAOYSA-N 443.016 5.845 30 10 IKEE CCCSc1nnc(CCc2ccc(OC)c(OC)c2)n1N=Cc1ccc(Cl)cc1 2326211677 LALYYKMTQPOOJR-UHFFFAOYSA-N 444.988 5.118 30 10 IKEE Clc1ccc(C=Nn2cnnc2SCc2ccc(Br)cc2)cc1Cl 2326607949 CQSKXZQSIGYCHR-UHFFFAOYSA-N 442.169 5.522 30 10 IKEE CCCOc1c(C=Nn2c(CCc3ccccc3Cl)nnc2SC)cccc1OC 2327915428 HVRIZDIAJRUBEN-UHFFFAOYSA-N 444.988 5.118 30 10 IKEE CCOc1ccc(Cc2nnc(SCC)n2N=Cc2ccc(Br)cc2)cc1 2328567905 CLPDMCWYBCMIFV-UHFFFAOYSA-N 445.386 5.024 30 10 IKEE Cc1cccc(C=Nn2c(CCc3ccccc3C)nnc2SCc2ccccc2C)c1 2329470020 URQONXOMYBKRJU-UHFFFAOYSA-N 440.616 6.163 30 10 IKEE COc1cccc(C=Nn2c(COc3ccccc3)nnc2SCc2ccc(C)cc2)c1 2329871074 GSOFAOBADRQGAS-UHFFFAOYSA-N 444.560 5.349 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(-n3cccc3)cc2)cc1)c1cccc([N+](=O)[O-])c1 2330621696 NFSHKBHUZPHDGJ-UHFFFAOYSA-N 438.439 5.501 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3cncc(C)c3)c(OC)c2)cc1 2330738675 ZVIVGRAYSMHXGQ-UHFFFAOYSA-N 435.907 5.730 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(OC)c(OC)c3)cc2)cc1 2330738742 UGBOVRDYFPPUBB-UHFFFAOYSA-N 430.500 5.310 30 10 IKEE CCCOc1ccccc1C=Nn1c(CC(C)(C)C)nnc1SCc1ccc(C)cc1 2330800311 SKXDWVJYLQJQGF-UHFFFAOYSA-N 436.625 6.138 30 10 IKEE CCOc1cccc(C=Nn2c(CC(C)(C)C)nnc2SCc2cccc(F)c2)c1 2330824632 DKEHXESBESBSKB-UHFFFAOYSA-N 426.561 5.579 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(SCCc2ccccc2)nnc1C1CCCC1 2331077940 SQTRKHNFZHOTOP-UHFFFAOYSA-N 434.609 5.940 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3F)cc2Cl)cc1 2331087245 LIYMWQRFTAEUJG-UHFFFAOYSA-N 442.845 5.671 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)COc1cc(F)ccc1F 2331180329 ZQZKIGRMRBIETA-UHFFFAOYSA-N 438.426 5.244 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2)c1 2331313520 PGSCEEWSQHXADK-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)c(C)c3)c(Cl)c2)c1 2331319518 CTGITONASUPDMX-UHFFFAOYSA-N 432.947 6.618 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)[C@H](C)c3ccccc3)c([N+](=O)[O-])c2)c1 2331322957 NNBVPNMKFGQXQF-LJQANCHMSA-N 429.472 5.817 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(F)c(F)c2F)cc1 2331352395 QQNQUBNHMUHCQD-UHFFFAOYSA-N 426.390 5.536 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1sccc1C 2331565736 ULKMNJSMNVNVKZ-UHFFFAOYSA-N 428.456 5.849 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)CCCSC 2331657724 AWTUMPPOQFPURG-UHFFFAOYSA-N 426.578 5.874 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)c3ccccc3OC)cc2)c1 2331673967 NHYJVBQJWODRCC-UHFFFAOYSA-N 446.499 5.608 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)C3CCCC3)c([N+](=O)[O-])c2)cc1Cl 2331833510 BCCOOYWXADNIMP-UHFFFAOYSA-N 429.856 5.249 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccc([C@H](C)CC)cc2)nnc1-c1ccc(Cl)cc1 15276216 GNJHNXNRCJXTKG-MRXNPFEDSA-N 441.000 6.029 30 10 IKEE CCOc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(Cl)c(Cl)c1)C2 20885435 UPDCCTKTVVOTGL-GOEBONIOSA-N 430.331 5.396 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2OC(C)C)cc1 21241884 NPVAWMYKFAOIMG-DENIHFKCSA-N 433.548 5.267 30 10 IKEE COc1ccc(/C=C\C(=O)c2cc(C)ccc2OC(=O)c2ccccc2OC)cc1OC 33442418 XBVNMIICLWMPFS-BENRWUELSA-N 432.472 5.136 30 10 IKEE O=C1/C(=C\c2c(Cl)cccc2Cl)CCCC/C1=C/c1c(Cl)cccc1Cl 33636893 ISQLYRSSYXTJMW-XSYHWHKQSA-N 426.170 7.910 30 10 IKEE CCCN(CCC)Cc1c(O)ccc2c1O/C(=C/c1cccc(Br)c1)C2=O 37858035 FGHKMABUYXVRHB-DEDYPNTBSA-N 430.342 5.393 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCC(=O)c3ccc(Cl)cc3)ccc2C1=O 39754346 SDIDRTPLDDILHR-CFRMEGHHSA-N 434.875 5.617 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)cc2)C3=O)c1 41292677 HSYHAZUCLWWNBU-KSEXSDGBSA-N 430.456 5.156 30 10 IKEE CCN(CC)C(=O)CSc1nc2ccc(/N=C/c3c(O)ccc4ccccc34)cc2s1 59517744 ADNRQGMIGPWAMD-AFUMVMLFSA-N 449.601 5.866 30 10 IKEE CCCc1nc2scc(-c3ccc4ccccc4c3)c2c(=O)n1Cc1cccc(C#N)c1 96530584 VBLIUBYUNXKACB-UHFFFAOYSA-N 435.552 6.151 30 10 IKEE Cc1cc(Cl)ccc1NC(=O)CSCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 96538283 ZUXQLCGOGXDNJT-LBPRGKRZSA-N 448.013 5.017 30 10 IKEE CCCCCCCCCCCCCCCCNCc1ccc(OCCC(C)C)c(OC)c1 100125323 LJQQWQGSRILZEQ-UHFFFAOYSA-N 447.748 8.691 30 10 IKEE Cc1cc2cc3c(nc2cc1C)S/C(=N\C1CCCC1)N(Cc1ccc2c(c1)OCO2)C3 101503947 PPKKKIHENCJCAG-RQZHXJHFSA-N 445.588 5.987 30 10 IKEE CCCCCCCCCCCCn1c([C@@H](C)NC(=O)c2ccccn2)nc2ccccc21 102111132 RQBIDCJWBCWYOY-JOCHJYFZSA-N 434.628 6.843 30 10 IKEE N#Cc1sc(-c2cc(Br)ccc2Br)c(-c2cccs2)c1N 161163413 OQCFZISDBKHXMZ-UHFFFAOYSA-N 440.185 6.122 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccc(F)cc2F)c1 169971437 BHTMEKMMZJFDJH-XMMPIXPASA-N 433.454 5.375 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1cccc(C)c1 169971744 SOLQGFDBRZOVHA-QHCPKHFHSA-N 449.453 5.373 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(O)c(OCC)c1 169974427 GXPKXXIBMXEVAE-OAQYLSRUSA-N 443.927 5.213 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1cccs1 169985249 LDBKWPWJWLHBHQ-LJQANCHMSA-N 425.893 5.193 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@H]2c2ccccn2)c1 169992289 RTAHVAQEJSAPBP-QHCPKHFHSA-N 442.515 5.171 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(OCC)cc2)=C(N2C[C@@H](C)C[C@H](C)C2)C1=O 169993761 APDNSMOXGNEOMO-SFTDATJTSA-N 440.628 5.504 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccccc2F)cc1C 170070202 MIASANATMCBADI-RUZDIDTESA-N 429.491 5.544 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2cccnc2)c1 170187428 LYVJAYLJQRHMDQ-RUZDIDTESA-N 434.495 5.635 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccnc1 170192980 YSKJXZRQWKGBDG-QFIPXVFZSA-N 430.504 5.059 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1ccncc1)c1ccc2ccccc2c1 170207163 IMOLNSGBKILBEV-HSZRJFAPSA-N 442.421 5.296 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(OCC)cc1 170213663 XJKPKJNUMKMFHB-DEOSSOPVSA-N 429.516 5.617 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(F)cc2)cc1 170238286 SIMGGZUONBVCLV-JOCHJYFZSA-N 435.426 5.146 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(F)cc2)cc1 170239838 GSGPJXBZUNTKEU-QHCPKHFHSA-N 427.431 5.663 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccc2F)cc1 170249725 XSEBBGVKTZERRO-QHCPKHFHSA-N 431.463 5.316 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(CC)cc1 170268235 STICVQDWZIBVOV-RUZDIDTESA-N 431.576 5.896 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)C)cc2)[C@H]1c1ccco1 170281090 RZLRXTBYVQZHCI-QHCPKHFHSA-N 447.487 5.203 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(C)o2)c1 170302224 VCXYWZKVOQYGNI-XDHUDOTRSA-N 443.499 5.311 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccc(C)o2)cc1C 170303575 DWXKEYOCNNWGHC-NRFANRHFSA-N 437.879 5.341 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2sccc2C)c1 170314166 XQSSHONEJMVHLV-JOCHJYFZSA-N 447.556 5.937 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1sccc1C 170315275 ZCQRGYKUKVUDIR-NRFANRHFSA-N 449.528 5.165 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(N(C)C)cc2)cc1 170378261 NHQCAJNYUNWJMM-QHCPKHFHSA-N 446.572 5.720 30 10 IKEE CC(C)(C)Oc1ccccc1CN1C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]1c1ccc(O)cc1 170447799 ADCKXCIUMQUCRB-OAQYLSRUSA-N 437.536 5.080 30 10 IKEE CCN(CC)c1ccc(C=NN=C2CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)cc1 254405820 XLLVCEWUWMRFCJ-GKWDUZDBSA-N 443.635 6.570 30 10 IKEE Cc1ccc(N/C(=N\N=Cc2c(O)ccc3ccccc23)c2nc3ccccc3s2)cc1 254871183 QJDTVBPFRKOORW-UHFFFAOYSA-N 436.540 6.356 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)c(Cl)c1F 407262094 RULVRPRSPBESJY-WMLDXEAASA-N 449.792 5.752 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(F)ccc(Br)c1F 407483148 XBILPHJCWLNBRH-WMLDXEAASA-N 433.337 5.237 30 10 IKEE CCOc1ccc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1Cl 526515032 HDGAIIJPMDUPDV-NRFANRHFSA-N 436.920 5.729 30 10 IKEE Cn1cc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)c2ccccc21 526516099 MSVNMRSPPUEHKM-XMMPIXPASA-N 439.902 5.761 30 10 IKEE CCOc1ccc([C@H]2C(c3ccc(OC)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526604211 KTQTZAFVKFODDH-DEOSSOPVSA-N 426.472 5.023 30 10 IKEE CCOc1cc(/C=N\n2cnnc2SCc2ccccc2Cl)ccc1OC(C)C 526815778 NNEJALQWQOIQAV-MSXFZWOLSA-N 430.961 5.292 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccc(O)c(O)c2)c1 526819190 DMNGQYQCHYHWKE-YSMPRRRNSA-N 444.560 5.071 30 10 IKEE COc1ccc2ccccc2c1/C=N\n1cnnc1SCc1ccc(Cl)cc1Cl 526823670 MZQADGUTSKPJHS-GATIEOLUSA-N 443.359 5.921 30 10 IKEE CCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1cccc(OCC(C)C)c1 526825029 GNDBVHGFQMBNBK-QFEZKATASA-N 426.561 5.579 30 10 IKEE CC(C)(C)c1ccc(S(=O)(=O)N(CCCC#N)c2ccc(Br)cc2)cc1 586253841 XZFZDDIASGQBCI-UHFFFAOYSA-N 435.387 5.246 30 10 IKEE CCCCCCCC[C@H](NCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 693657851 UAJDKJGUXFCPJE-RPLLCQBOSA-N 445.692 5.885 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@](C)(C#N)c1cc(Br)ccc1F 698424794 MBPJNXRVKVGRNP-NRFANRHFSA-N 433.321 6.077 30 10 IKEE CCOc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)cc1 698456905 JSOROSGOYZMBCK-IBGZPJMESA-N 431.330 5.854 30 10 IKEE COCc1csc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)c1 698460477 ZPTZOIUBYNENAB-MRXNPFEDSA-N 437.359 5.663 30 10 IKEE Cc1cc(Cl)cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)c1 698489047 NSHKCFVIGVBQLM-GOSISDBHSA-N 435.749 6.417 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@](C)(C#N)CCc1ccc(OC(F)F)cc1 700606345 SNVQIXZEFMJOGK-XMMPIXPASA-N 430.495 5.940 30 10 IKEE Cc1ccc(NN=C2C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)cc1 1084127609 VRXAYKVTOFSPSE-UHFFFAOYSA-N 434.337 5.163 30 10 IKEE C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@@]2(C)[C@@H]1CCc1ccoc1CNC1CCCCC1 1565535274 UOIHMGVGVVIAEA-DEKSYSNASA-N 441.656 6.586 30 10 IKEE CC(/C=N/N=C1/S/C(=C/c2ccccc2F)C(=O)N1Cc1ccco1)=C\c1ccccc1 1615304778 LUQPNGUDHMEXCB-YDKMZGAXSA-N 445.519 5.981 30 10 IKEE C=CCN1C(=O)/C(=C(\C)c2ccc(Br)cc2)SC1=Nc1cccc(C)n1 1772738183 RJDTVPHNVCXSHH-QVRVXCEOSA-N 428.355 5.333 30 10 IKEE CCc1ccc(NC(=S)N/N=C\c2cn(-c3ccc(C)cc3)nc2-c2ccccc2)cc1 1857812111 UAZVRGKNNDNTKP-PKAZHMFMSA-N 439.588 5.731 30 10 IKEE CCCCCCCOc1cccnc1NC(=O)Nc1cc(OC)c(C(=O)O)cc1Cl 1858853859 HAFZQALLGXCDEU-UHFFFAOYSA-N 435.908 5.435 30 10 IKEE C=CCN(CC=C)C(=O)Oc1ccc(CNC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 1858871655 NOYRXDAQLKOMIS-XYOKQWHBSA-N 445.346 5.496 30 10 IKEE N#Cc1ccccc1NC(=O)c1cc(-c2ccccc2)n(Cc2ccc(Cl)c(Cl)c2)n1 1859380333 SOMCIDZYKQIOTN-UHFFFAOYSA-N 447.325 6.029 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)[C@@H](C)Oc1ccc(C(C)C)cc1 1861677255 KCUGURYHSHGJNE-ZJSXRUAMSA-N 432.649 5.729 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2cccc(F)c2)cc1 1862390945 PAHHFFYWSAOPGE-QHCPKHFHSA-N 439.527 5.172 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2cccc(OCCC)c2)cc1 1862396593 GGLPXEYNQJHHOM-XMMPIXPASA-N 435.564 5.805 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2ccc3c(c2)OCCO3)cc1 1862397515 QOHINHSODUUPFL-MZNJEOGPSA-N 449.547 5.177 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2ccccc2F)c1 1862412947 RBVKNEOFBDMOKA-QFIPXVFZSA-N 437.417 5.191 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1cccc(C)c1 1862465943 XUZMRJMZVWMFBU-IFXJQAMLSA-N 428.326 5.134 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccc(C(C)C)cc2)cc1 1862476932 GOMQCDUFINKUAI-IBVKSMDESA-N 439.555 6.458 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2ccc(N(C)C)cc2)cc1 1862477762 RFSLMSYKMWEKGZ-RUZDIDTESA-N 440.543 5.148 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2c(Cl)cccc2Cl)c1 1862563041 TUBULYVGTDTNCG-HXUWFJFHSA-N 445.346 5.487 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccc(C)cc2)cc1F 1862637097 UGEFKAZNBMCSIB-XMMPIXPASA-N 449.522 5.612 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862660593 KMILZZDFSMIONH-XMMPIXPASA-N 428.532 5.812 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccccc1Cl)c1ccc(F)cc1 1862675994 YBHCMCBXSWAKNQ-IBGZPJMESA-N 427.884 5.319 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2Cc2ccncc2)cc1 1862713629 SGHQTPSQDGRPPM-VWLOTQADSA-N 434.495 5.322 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H](C)c2ccccc2)=C(c2ccc(OC)cc2)C1=O 1863671190 LFJLNMRRTZWJIX-FQEVSTJZSA-N 434.580 5.486 30 10 IKEE CCCCCCCCCCNC1=C(c2cc(C)ccc2C)C(=O)N(CCOC(C)C)C1=O 1863737467 ZXQBPCPHCDUDDU-UHFFFAOYSA-N 442.644 5.539 30 10 IKEE C=CCN(CC=C)c1cc(N(Cc2ccccc2)Cc2ccccc2)nc(CCOC)n1 1867953667 JHAKXZYNPUWHMG-UHFFFAOYSA-N 428.580 5.051 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)NCc2ccc(OC)cc2)c(=O)cc1C 1870084230 WGGZFVFAOOIIRH-UHFFFAOYSA-N 442.600 5.001 30 10 IKEE CCCCCCCOc1cn(CCCCN2CCCC2)c(CN(CCC)CCC)cc1=O 1870414044 DULIJHXMZRRDMC-UHFFFAOYSA-N 447.708 5.696 30 10 IKEE C#CCOc1cn(CCc2ccc(F)cc2)c(CNc2cccc(C(C)(C)C)c2)cc1=O 1871004442 FPDXSYBAEXXHIY-UHFFFAOYSA-N 432.539 5.152 30 10 IKEE CCCCC[C@@H](CC)N1COc2ccc3c(c2C1)O/C(=C\c1ccc(C(=O)OC)cc1)C3=O 1871347726 SFUZMSVQTYROBV-ZOLHPDHPSA-N 449.547 5.600 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(C(F)(F)F)cc4)ccc3C2=O)cc1 1871375859 HGOAEBAUDBVHRK-XKZIYDEJSA-N 438.401 6.103 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(F)cc2)C3=O)c1 1871389129 VGIVIIXQSFJNNC-UCQKPKSFSA-N 430.431 5.534 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3cc(OCCCOc4ccc(Cl)cc4)ccc3C2=O)cc1 1871404557 DLXSAMCKBJEXQZ-QQXSKIMKSA-N 448.946 6.928 30 10 IKEE Cc1cccc(OCCCOc2ccc3c(c2C)O/C(=C\c2ccccc2Cl)C3=O)c1 1871404586 FUGPTQMPJTYPAB-JLPGSUDCSA-N 434.919 6.421 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(O[C@H](C)C(=O)Nc3ccc(C)cc3C)ccc2C1=O 1871411708 PKSLQISBWRUXPX-DBXOKZBGSA-N 443.499 5.334 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O)NC1CCCCC1 1871438268 SGOLYUOTSZTRBO-NHDPSOOVSA-N 446.330 5.437 30 10 IKEE Cc1cc(C)c(NC(=O)COc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)c(C)c1 1871459134 RWISGHQNSBBFIN-FMCGGJTJSA-N 447.918 5.899 30 10 IKEE CCOc1ccc(-c2nc(C3=C(N)N(c4ccc(F)cc4Cl)CC3=O)sc2C)cc1 1872725956 CZHVOVRMCKGRPK-UHFFFAOYSA-N 443.931 5.026 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(Cl)c(Cl)c3)n2)c(C)c1 1872769391 QWPHFRAXDCYMKH-ZGRWHYIRSA-N 427.356 6.623 30 10 IKEE COc1ccc(OC)c(CC(=O)[C@@H](C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)c1 1872779034 ZYNOKAKZMWFOMZ-HXUWFJFHSA-N 434.561 5.480 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)cc3[N+](=O)[O-])n2)cc1C 1872788375 YQKOJXCUTUPLDB-MRXNPFEDSA-N 441.896 5.487 30 10 IKEE CCCCCCCCN1C(=O)C(NCCC2=CCCCC2)=C(c2cc(C)ccc2C)C1=O 1873150626 FFUZYALWQJAEOZ-UHFFFAOYSA-N 436.640 6.224 30 10 IKEE CCCCCCCCNC(=O)c1cc2c(N3CCCCC3)ncnc2n1Cc1ccccc1 1873584744 ZXOOOVXCHFRURF-UHFFFAOYSA-N 447.627 5.560 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)cc2)cc2c(NCCc3ccccc3)ncnc21 1873607710 ZUZSUTPCYHXGQZ-UHFFFAOYSA-N 431.927 5.178 30 10 IKEE CCCCCCCCCCNC(=O)c1cn(-c2ccc(Cl)cc2)c(=O)c2ccccc12 1873936579 JERLLWWOUGYBDJ-UHFFFAOYSA-N 438.999 6.515 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C 1873937026 WZASFJMDRYOTSB-QHCPKHFHSA-N 443.632 5.861 30 10 IKEE CCCSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1ccc(F)cc1 1874206832 VYSYYIBCCZBIPJ-FOKLQQMPSA-N 439.343 5.687 30 10 IKEE CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1c[nH]c2ccccc12 1874217463 MGESNHYFJKEULR-BRJLIKDPSA-N 439.972 5.603 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1ccc(CC)cc1 1874224363 GWYXZOAMBBGTKO-OVVQPSECSA-N 448.636 5.965 30 10 IKEE CCc1ccc(/C=N/n2c(CCc3cccc4ccccc34)nnc2SCCCO)cc1 1874233893 HLDOCGFVTNATEF-ZXVVBBHZSA-N 444.604 5.136 30 10 IKEE Cc1ccccc1CSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccco1 1874266052 CPRHSEUFAPCDOA-ZMOGYAJESA-N 438.940 5.586 30 10 IKEE C(=N/n1c(Cc2cccc3ccccc23)nnc1SCc1ccccc1)\c1ccccn1 1874269731 LRCCHNGSBOUVTC-MTDXEUNCSA-N 435.556 5.592 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccccc1 1874281270 ZWUKXBDQJJHRJU-WPWMEQJKSA-N 447.007 6.200 30 10 IKEE CCCSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1cn(C)c2ccccc12 1874321280 JQAPJURJNHPJSN-AFUMVMLFSA-N 433.581 5.350 30 10 IKEE CCCSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1c(F)cccc1Cl 1874321471 SXHIOHWJJYCVNB-WYMPLXKRSA-N 432.952 5.651 30 10 IKEE C(=N/n1c(COCc2ccccc2)nnc1SCCc1ccccc1)\c1ccccc1 1874355102 PGBGCOCSSFKHJK-NLRVBDNBSA-N 428.561 5.212 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2ccccn2)cc1C 1874358323 BCOCHZFBYHSKBE-OVVQPSECSA-N 427.577 5.098 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccccc3Cl)n2/N=C/c2cccc(O)c2)c1 1874365720 RADZFWGARZNPTL-VULFUBBASA-N 448.979 6.095 30 10 IKEE Clc1ccc(CSc2nnc(CCc3cccs3)n2/N=C/c2cccnc2)cc1 1874372449 ZVWULNHAPUZQGU-ZVHZXABRSA-N 439.997 5.348 30 10 IKEE CCc1ccc(/C=N/n2c(Cc3ccc(C)cc3)nnc2SCc2ccccc2C)cc1 1874387521 RCKADJCVKLSCMA-MTDXEUNCSA-N 440.616 6.223 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3F)n2/N=C/c2cc(C)ccc2O)cc1 1874389179 KBSHWHHLNNQIJH-JFLMPSFJSA-N 446.551 5.505 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2[C@H](C)c2ccccc2)cc1 1874395478 NNYQYOGCRHZGPH-BWJYWGHISA-N 447.007 6.566 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3)n2/N=C/c2cccc(Cl)c2)c1 1874416723 FGGOUROGGIWOMQ-JVWAILMASA-N 447.007 6.314 30 10 IKEE Fc1cccc(CSc2nnc(-c3cccs3)n2/N=C/c2cccc3ccccc23)c1 1874421417 LIDJUCJKIVIRMZ-CVKSISIWSA-N 444.560 6.473 30 10 IKEE Cc1ccc(CSc2nnc(C(F)(F)F)n2/N=C/c2ccc(C(C)(C)C)cc2)cc1 1874458908 MCARYWGTTLKCCJ-LGJNPRDNSA-N 432.515 6.077 30 10 IKEE CC(C)(C)c1ccc(/C=N/n2c(SCCc3ccccc3)nnc2-c2ccco2)cc1 1874466971 LXNPWSSDBUFNPV-NLRVBDNBSA-N 430.577 6.053 30 10 IKEE Cn1cccc1/C=N/n1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccco1 1874468497 KPFFFIVAKGAISU-SSDVNMTOSA-N 432.336 5.358 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2sccc2C)cc1 1874494367 YBUOUWSXOJAWLC-YDZHTSKRSA-N 439.610 5.091 30 10 IKEE Clc1ccccc1CSc1nnc(C2CCC2)n1/N=C/c1ccc2c(c1)OCCO2 1874495726 BBKJTEPKIWGTEO-ZMOGYAJESA-N 440.956 5.145 30 10 IKEE O=[N+]([O-])c1cccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CCC2)c1 1874497506 MVVVHMSBFHEIIV-WSDLNYQXSA-N 427.917 5.282 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2c(F)cccc2Cl)cc1 1874512276 PGCUUJNUFRGIBJ-BHGWPJFGSA-N 445.951 5.115 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C(C)C)cc1 1874514982 LKMQCIZZKXZUSX-WGOQTCKBSA-N 430.577 6.128 30 10 IKEE Cc1cc(OCc2nnc(S)n2/N=C/c2ccc(C(C)(C)C)cc2)cc(C)c1Cl 1874568640 JSXZLEAWLWVXHF-WYMPLXKRSA-N 428.989 5.596 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1C 1874591498 OAWCBRLHGQHOSG-UXBLZVDNSA-N 441.354 7.094 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OCc3ccccc3Cl)c2)c(OCC)c1 1874600584 TYGAITPVMGRFNY-NTCAYCPXSA-N 436.935 6.613 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3ccccc3)c2)c(OCC)c1 1874600676 XOHRXWIACLNKBM-RVDMUPIBSA-N 432.516 5.968 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OCc1ccc(Cl)c(Cl)c1 1874611528 NALWJBSPUCYJPU-DHZHZOJOSA-N 443.326 6.486 30 10 IKEE CCCOC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OCC 1874614761 XRPKXGBALLXOIL-BJMVGYQFSA-N 437.319 5.620 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 1874617238 RNGPNSZEOOTYMU-MKMNVTDBSA-N 447.487 5.867 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2Cl)cc1 1874631846 XOCLAYGANBQILX-KPKJPENVSA-N 433.935 6.179 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OCC(=O)Nc2cc(C)ccc2C)cc1 1874638677 MRFDNKUHLQAZOD-XYOKQWHBSA-N 449.934 5.879 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OC(=O)CC12CC3CC(CC(C3)C1)C2 1874702702 FQXXFMPNXPHJQS-WEVVVXLNSA-N 444.571 6.412 30 10 IKEE COc1cccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C(C)C)cc3)c2)c1 1874710060 RAVYRNMRVCPPJU-MHWRWJLKSA-N 428.528 6.253 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)C(C)C)c(Br)c2)cc1 1875106743 IPTLUUQDWRSFMW-UKTHLTGXSA-N 429.354 6.249 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(OC)c3)c(OC)c2)cc1 1875107891 OFRRMEBIABUSPL-FOWTUZBSSA-N 444.527 6.162 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cc(Cl)ccc2Cl)cc1)c1ccccc1Cl 1875111359 GEABJDRTGZGPLQ-KPKJPENVSA-N 431.702 6.762 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(OC)c1OC(=O)Cc1ccccc1 1875115059 KTQAZSLESQJIJI-LFIBNONCSA-N 442.511 5.477 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)CCCOc1c(C)cccc1C 1875129281 STXJSKDAYIVDJP-JQIJEIRASA-N 444.527 5.973 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc([N+](=O)[O-])c1OC(=O)c1ccco1 1875134807 MIMLSAHDQJICRK-CSKARUKUSA-N 435.432 5.319 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OC 1875136622 SQDYBPXCZSVTEI-RVDMUPIBSA-N 446.499 5.283 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc2c(c1)OCO2 1875137088 VHULANXPYSCUJM-IZZDOVSWSA-N 430.456 5.238 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccnc3)c(OCC)c2)cc1 1875137910 AIVSWBUCSIQOLI-NTUHNPAUSA-N 431.488 5.384 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(C)c3)c([N+](=O)[O-])c2)cc1 1875138114 GTFBEUMWLSHYRJ-NTUHNPAUSA-N 445.471 5.807 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)cc2OC)cc1 1875148365 CIOPTHNUKFBRFA-IZZDOVSWSA-N 444.483 5.144 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)[C@H]3CCCO3)c(Cl)c2)cc1C(C)C 1875162664 KKZFPWFMUCNERI-ISGGHPHESA-N 442.939 5.761 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1ccc(F)c(F)c1F 1875163239 BCWYBPAZXUXFAC-KRXBUXKQSA-N 448.343 5.506 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)ccc1OC(=O)C(C)C 1875166367 XWPAJPHELQQQKP-SOFGYWHQSA-N 437.319 5.858 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2OC)cc1 1875179284 XDNNTNXPEVSRBJ-RVDMUPIBSA-N 442.555 6.309 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)c2cccs2)c(Cl)c1 1875184284 RLKIZQBBJKCKOC-DHZHZOJOSA-N 438.976 7.123 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)cc3)c(OC)c2)cc1C 1875189668 AYTFQYULZCFILT-XYOKQWHBSA-N 430.500 5.744 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc(OC)c1OC(=O)COC 1875192104 UJTGYLNWVYQMKD-ACCUITESSA-N 446.499 5.033 30 10 IKEE C=CC1(C[C@H](N)[C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCC1 1875670350 ZNYOWRBCCBMUFU-LBNVMWSVSA-N 443.587 5.952 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(F)c(Br)cc1F 1894937569 GATJAKICFDJORZ-IAGOWNOFSA-N 433.337 5.237 30 10 IKEE C=C(C)CN(Cc1ccccc1)C(=O)c1csc(Br)c1Br 1914547912 QOKBXDKQIKRFDD-UHFFFAOYSA-N 429.177 5.492 30 10 IKEE C[C@@H]1[C@H](Nc2ccc(C#N)c(Br)c2F)CC(C)(C)CN1Cc1ccccc1 1916245301 DUSQWTUCUPZAQQ-DNVCBOLYSA-N 430.365 5.561 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1cc(Br)c(Br)o1 1959993041 JCIHJCXVCZIJQA-MRXNPFEDSA-N 429.152 5.228 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@]2(C)CCCN2C(=O)OC(C)(C)C)cc1 2020804714 RZAFPXFMWCSPMA-DVECYGJZSA-N 429.561 5.418 30 10 IKEE CC(C)(C)OC(=O)NCC[C@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C1 2037234836 ZZHRTUCYLMNXGA-OSPHWJPCSA-N 447.551 5.544 30 10 IKEE C=CC1(C[C@@H](NCCC)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)CCC1 2049034468 BRQLRZCJMLCXFK-KCWPFWIISA-N 441.660 5.270 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)cn1 2050051439 ADZRYRDYHYNBCD-IBGZPJMESA-N 444.576 5.953 30 10 IKEE CCOc1ccc(C=C2CCCC3=C2NC(=NC#N)N[C@@H]3c2ccc(OCC)cc2)cc1 2059864817 BEZXDBIQEFJLTC-XMMPIXPASA-N 428.536 5.077 30 10 IKEE CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2067953204 HQMHLHCLEOMTCX-NTKDMRAZSA-N 447.551 5.495 30 10 IKEE C=CCN(CC[C@H](NCC)c1ccc(Cl)cc1Br)C(=O)OC(C)(C)C 2077746165 RDYYXRQWLSCDGY-KRWDZBQOSA-N 431.802 5.566 30 10 IKEE CC(C)(C)OC(=O)c1nn(-c2ccc(F)c(C(F)(F)F)n2)c(C(F)(F)F)c1Cl 2078927164 NMAVGUPNXQDLSS-UHFFFAOYSA-N 433.711 5.053 30 10 IKEE CCc1nn([C@H](c2ccc(C3CC3)cc2)C(C)(C)C)c(I)c1C#N 2079007519 UTPFKFAAVPCXGT-GOSISDBHSA-N 433.337 5.435 30 10 IKEE CCCc1ccc([C@@H](CC)n2nc(C(F)F)c(C#N)c2I)cc1 2079904976 JYBWUJNJNJKQCZ-CQSZACIVSA-N 429.252 5.249 30 10 IKEE CC(C)(C)c1nn([C@H](c2ccc(C3CCC3)cc2)C2CCC2)c(Br)c1C=NO 2079987760 YDEQZQCHCXHFDS-FQEVSTJZSA-N 444.417 6.408 30 10 IKEE Fc1cc(-c2c(C(F)(F)F)nn([C@H]3CCOC3)c2Br)ccc1C(F)(F)F 2080793105 DTEBWGGLTIGNBG-QMMMGPOBSA-N 447.148 5.451 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1cc(C(C)C)ccc1NC(=O)OC(C)(C)C 2081773026 VIQXVGWKFORBFA-VWLOTQADSA-N 438.612 6.581 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cccc(Br)c1Cl 2136572269 ZRAOIVGESFGTQY-AEFFLSMTSA-N 443.813 5.450 30 10 IKEE Cc1cc(CNC(=O)OC(C)(C)C)cc(Nc2ccc(C#N)c(Br)c2F)c1 2162387402 MRPFDZWKCCBOSD-UHFFFAOYSA-N 434.309 5.537 30 10 IKEE CC(C)(C)OC(=O)N1CCN(c2cccc(Br)c2C#N)c2ccccc2C1 2174811648 ARPCDROKFCMYMP-UHFFFAOYSA-N 428.330 5.210 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NC)[C@@H]1CC2(CCCC2)CCN1C(=O)OC(C)(C)C 2215583705 BITFWRRWPUGIHM-XZOQPEGZSA-N 428.617 5.307 30 10 IKEE C=CCCCCCCC[C@H](NC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2220090397 WTBKETQFMXJPSY-RPLLCQBOSA-N 443.676 5.661 30 10 IKEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@@H](C#N)c1c(F)ccc(Br)c1F 2223370376 UVNRURDCTYHRGS-JTQLQIEISA-N 429.183 5.091 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)cc1CC 2229256018 SAGNQQIHKFGBBJ-RBUKOAKNSA-N 425.411 5.522 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)C[C@@H](C)CCNC(=O)OC(C)(C)C 2235747465 QDIWEBFDEXXWBA-HKUYNNGSSA-N 437.422 5.110 30 10 IKEE CC[C@@H](C)N(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)sc(C)c1C 2247825297 BGLXHTWDECRHOZ-MRXNPFEDSA-N 427.419 5.105 30 10 IKEE CCCCCCC[C@H](NCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248460273 HJKINZXQSAZSLH-QHCPKHFHSA-N 432.649 5.779 30 10 IKEE C[C@H](N(Cc1ccccc1)Cc1c(F)cccc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2260852809 MDLKTBWVDRJRGL-IBGZPJMESA-N 425.397 5.562 30 10 IKEE CC1(C)OB(c2ccnc(Oc3c(Cl)cc(Br)cc3Cl)c2)OC1(C)C 2265846979 FKQQCJHYEBHWTH-UHFFFAOYSA-N 444.949 5.242 30 10 IKEE C=CCc1ccccc1OCCn1cc(C=C2SC(=S)N(CC)C2=O)c2ccccc21 2293415069 XOARQXKDLXPBEC-UHFFFAOYSA-N 448.613 5.670 30 10 IKEE CN[C@H](C#Cc1cccc(Br)c1)C[C@@H](CC(C)(C)C)NC(=O)OC(C)(C)C 2296271570 FZMWRVXTYXAVRT-MOPGFXCFSA-N 437.422 5.108 30 10 IKEE O=C(C=Cc1ccc(Cl)cc1)Oc1ccc(C=Nc2cccc(C(F)(F)F)c2)cc1 2296664598 PXKFENJIEIHTFH-UHFFFAOYSA-N 429.825 6.728 30 10 IKEE COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2SC(=Nc3ccc(C)cc3C)NC2=O)o1 2296684227 IVOXHDWCMVAVOS-UHFFFAOYSA-N 449.488 5.372 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2302796359 RDKWVHQCROMTEM-SZVBFZGTSA-N 433.524 5.153 30 10 IKEE CCOc1ccc(C=C2SC(=Nc3ccncc3Cl)N(c3ccccc3)C2=O)cc1 2314542739 NYEBAAZDDGJJNN-UHFFFAOYSA-N 435.936 5.942 30 10 IKEE CC#CCN(C[C@H](NCC)c1sc(Br)c(C)c1C)C(=O)OC(C)(C)C 2316096366 BBZZARQUKGJXRR-HNNXBMFYSA-N 429.424 5.038 30 10 IKEE CCCCCCCCCOc1ccc(C=Nn2c(S)nnc2CCOC)c(Cl)c1 2321911756 PYZKIBRXDBQFLI-UHFFFAOYSA-N 439.025 5.421 30 10 IKEE Sc1nnc([C@@H]2CCCO2)n1N=Cc1cccc(OCc2c(Cl)cccc2Cl)c1 2321935024 PBARLVSYZSSGSY-SFHVURJKSA-N 449.363 5.186 30 10 IKEE CCc1ccc([C@@H](C)N2COc3cc(C)c4c(c3C2)OC(=Cc2cccc(C)c2)C4=O)cc1 2322260038 IOIKWQKQSJTKQR-HXUWFJFHSA-N 439.555 6.395 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCc2ccc(Cl)cc2Cl)cc1OC 2322341291 WMTPVFAESKDTJZ-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccccc1F)C3=O)CN(C13CC4CC(CC(C4)C1)C3)CO2 2322437105 MJEKAVSZSXBIEB-UHFFFAOYSA-N 445.534 5.871 30 10 IKEE CCCNC(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc(Cl)c(Cl)c1 2322585644 TYKVSKUFIRAHFP-UHFFFAOYSA-N 426.727 5.448 30 10 IKEE CCn1cc(C=C2Oc3cc(OC(=O)COc4ccccc4)ccc3C2=O)c2ccccc21 2322948509 OSOINRJDMQQVNK-UHFFFAOYSA-N 439.467 5.262 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OCc1ccc(Cl)c(Cl)c1 2323168508 DCIKTHHRZCGICQ-UHFFFAOYSA-N 445.317 6.925 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2)c(C)c1 2323369504 BVBJBXXJQRKNMQ-UHFFFAOYSA-N 430.460 5.125 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)cc([N+](=O)[O-])c1OCCc1ccccc1 2323476543 SMDIYXSEIIKWPR-UHFFFAOYSA-N 445.515 6.074 30 10 IKEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2C)C3=O)c(OC)c1 2323777369 CDSSSAFTAFEWSG-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE C=CCOc1c(Br)cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1OC 2323889831 BLBCZCIMFITGQX-UHFFFAOYSA-N 442.136 6.225 30 10 IKEE CCOc1c(Br)cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1OC 2323889990 POSLKPVIAHLLPA-UHFFFAOYSA-N 430.125 6.059 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1Cl 2324184178 ARLWUCWZQITIGR-UHFFFAOYSA-N 437.898 5.955 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OCC(=O)OCC(C)C 2324305862 WYJWXJPREIUDHR-UHFFFAOYSA-N 440.536 5.185 30 10 IKEE Cc1c(O[C@H](C)C(=O)Nc2ccccc2)ccc2c1OC(=Cc1ccc(Cl)cc1)C2=O 2324405730 RQZQZDGPPDTWTL-MRXNPFEDSA-N 433.891 5.671 30 10 IKEE COc1ccc(C=C2Oc3cc(OCCOc4cccc(C)c4)cc(C)c3C2=O)cc1OC 2324527528 HJCMCXLAMKSJEM-UHFFFAOYSA-N 446.499 5.395 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCCCCOc4cccc(C)c4)cc(C)c3C2=O)cc1 2324571173 TWRKHDROSCXOQW-UHFFFAOYSA-N 428.528 6.466 30 10 IKEE CCOc1ccccc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccccc1F)C2=O 2324895253 LNBWFMDDMGOFSQ-UHFFFAOYSA-N 447.462 5.167 30 10 IKEE Cc1c(OCC(=O)Nc2c(F)cccc2F)ccc2c1OC(=CC=Cc1ccccc1)C2=O 2325512740 LMLPPEHKXGGJFL-UHFFFAOYSA-N 447.437 5.463 30 10 IKEE O=C(C=Cc1cccc(Cl)c1Cl)C(=O)Nc1ccc(OCc2ccccc2)cc1 2325623600 UQMQSKHLCYBAHR-UHFFFAOYSA-N 426.299 5.793 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1OC(=O)c1ccc(F)cc1F 2325701472 UZKBQPAZHLZGGK-UHFFFAOYSA-N 448.465 5.968 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OC(=O)Cc3cc(C)ccc3C)c2)c1 2325744249 UKKXTVVFLDAPND-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE CCCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1cccn1C 2325905776 IURDBLNKKLPSLL-UHFFFAOYSA-N 425.602 5.186 30 10 IKEE CCCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccccc1Cl 2326033659 YUQBSXDHQWYPFB-UHFFFAOYSA-N 449.407 5.981 30 10 IKEE CCOc1cc(C=Nn2c(C)nnc2SCc2ccc(F)cc2)cc(Cl)c1OCC 2326238333 VHSMQSUVMPKSOK-UHFFFAOYSA-N 448.951 5.351 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SC)n1N=Cc1ccc(Cl)cc1Cl 2326423787 VJNHTHZICSBEHC-UHFFFAOYSA-N 449.363 5.333 30 10 IKEE CC(C)(C)Oc1ccc(C=Nn2cnnc2SCc2ccc(Cl)c(Cl)c2)cc1 2326489285 QZLCUQNMDMLTNS-UHFFFAOYSA-N 435.380 5.937 30 10 IKEE COc1ccc(CCc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccccc2)cc1 2328572284 QRLGPTIBYKVCRE-UHFFFAOYSA-N 446.551 5.386 30 10 IKEE COc1ccccc1C=Nn1c(Cc2ccc(C)c(C)c2)nnc1SCc1ccccc1 2329421990 PDNNMMNRXWBVBR-UHFFFAOYSA-N 442.588 5.669 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2cccc(O)c2)cc1C 2329423834 CXUZTWZCQZAGOE-UHFFFAOYSA-N 428.561 5.366 30 10 IKEE Cn1cccc1C=Nn1c(CCc2cccs2)nnc1SCc1ccccc1Cl 2329667739 YTZHYKMHUGEQLU-UHFFFAOYSA-N 442.013 5.291 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2)n1N=Cc1ccc(Cl)c(Cl)c1 2330193652 RZIZDTYKDDEFLN-UHFFFAOYSA-N 431.392 5.921 30 10 IKEE OCCCSc1nnc(CC2CCCCC2)n1N=Cc1c(Cl)cccc1Cl 2330284586 RPAOQHPSEPRYOZ-UHFFFAOYSA-N 427.401 5.064 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1Br 2330684877 ZOGNJBRYEDBUCL-UHFFFAOYSA-N 441.365 6.320 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3ccc(C)cc3)cc2)cc1C 2330855697 DZLXJLJITUIJNY-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE Cc1cccc(CSc2nnc([C@H]3CCCO3)n2N=Cc2c(Cl)cccc2Cl)c1 2330929446 QBNSKZGPRLXFIC-LJQANCHMSA-N 447.391 5.919 30 10 IKEE Cc1cccc(C=Nn2c(SCC(=O)Nc3cc(C)ccc3C)nnc2C2CCCC2)c1 2331018159 BYNCYPFJCQQOJY-UHFFFAOYSA-N 447.608 5.474 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2ccccc2C)cc1 2331046422 URJLTFWZSDBRIC-UHFFFAOYSA-N 433.581 5.166 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CCCC2)cc1 2331086989 PDEHVUJDDCDLLI-UHFFFAOYSA-N 441.000 6.162 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 2331158083 MWVKYTAFWBGHAV-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)c(C)c3)c([N+](=O)[O-])c2)cc1 2331201134 RRCZLQPZAUXELT-UHFFFAOYSA-N 445.471 5.726 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccco3)n2N=Cc2c[nH]c3ccccc23)c1 2331208130 IHMWAMGBSRJVQA-UHFFFAOYSA-N 427.533 5.811 30 10 IKEE COc1cc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2-c2ccco2)ccc1O 2331224361 VIHXPYKCHPKFMC-UHFFFAOYSA-N 440.912 5.080 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)COc1c(C)cccc1C 2331236973 OKRYOXXZFPZRTF-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)Cc1ccc(F)cc1 2331256063 QFLDZQYMZPBTNG-UHFFFAOYSA-N 438.882 5.840 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)ccc1F 2331332980 JBGQBWPFTDJMPL-UHFFFAOYSA-N 439.826 5.811 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2OC)cc(OC)c1OC(=O)C1CCCC1 2331376520 MSNBFSYNMNCCME-UHFFFAOYSA-N 434.532 5.732 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)cc3)c(Cl)c2)cc1 2331493161 CXZSTNMLRRMIJJ-UHFFFAOYSA-N 436.910 6.647 30 10 IKEE COc1cccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C2CCC2)c1 2331533356 NSSNADIRCIFZQM-UHFFFAOYSA-N 447.391 6.036 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1OCC 2331649243 XFOTXSMHTUVYNK-UHFFFAOYSA-N 428.956 6.574 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2cc(Cl)c(OC(=O)C3CC3)c(OC)c2)c1 2331673310 CDHDTJWNFLYTCV-UHFFFAOYSA-N 444.911 5.358 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)C1CCCC1 2331762862 YNMBJUXUXJFDHZ-UHFFFAOYSA-N 426.940 6.266 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1)c1ccc(Cl)cc1 2331859250 ZJMCMYPMXWPVRF-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)cc(OC)c1OC(=O)COC 2331864015 GXPDLWWCNYCXEI-UHFFFAOYSA-N 435.303 5.178 30 10 IKEE CCC[C@](C)(CNC(=O)OC(C)(C)C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339582767 RUNRBQNNIRCIPL-DQRYEYLNSA-N 446.397 5.189 30 10 IKEE CCN[C@@H](C#C[C@H]1CC1(F)F)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2341040856 JVFDBVVJUIAOIB-BBRMVZONSA-N 429.305 5.105 30 10 IKEE N#CC1(COCc2cc(I)ccc2Br)CCCCC1 2341557559 OJAWJYYESXNPNO-UHFFFAOYSA-N 434.115 5.044 30 10 IKEE CC(C)(C)OC(=O)N1[C@@H](CNc2ccc(C#N)c(Br)c2)C[C@H]2CCCC[C@H]21 2358974287 QPLGVZKNYAPRSP-LSBZLQRGSA-N 434.378 5.301 30 10 IKEE CC(C)(C)OC(=O)N1[C@@H](CNc2cc(Br)cc(C#N)c2)C[C@H]2CCCC[C@H]21 2358977394 ZHJJUCCFEJQHMQ-ATZDWAIDSA-N 434.378 5.301 30 10 IKEE N#Cc1c(F)cc(Br)cc1Nc1ccc(Cl)c(Br)c1Cl 2362100937 REPCOHHBEOLWOC-UHFFFAOYSA-N 438.909 6.273 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@@H](C#N)c1c(Cl)ccc(Cl)c1Cl 2364580587 TTWQCJQZFKXHAN-HNNXBMFYSA-N 446.161 7.307 30 10 IKEE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)N(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2365102920 HFTCOLGGJPMVFQ-FCHUYYIVSA-N 447.432 5.073 30 10 IKEE CCCN[C@@H](C#C[C@@H]1CC1(F)F)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2366692388 VRSILCCBEMZJTI-CJNGLKHVSA-N 443.332 5.495 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C/C1=Cc3ccccc3OC1)C2=O)c1ccc(Cl)cc1 2430570 JFFMAWWLKFNPFR-BRJLIKDPSA-N 444.870 5.537 30 10 IKEE CC(C)(C)c1ccc(N/C=C\C(=O)c2ccc(OCc3c(F)cccc3Cl)cc2)cc1 8781778 PAYUITOJEPHAFL-NXVVXOECSA-N 437.942 7.164 30 10 IKEE C=CCOc1ccccc1NC(=O)c1cc(Br)ccc1OCCCCCC 9816005 YIUVBPGTCQZPBL-UHFFFAOYSA-N 432.358 6.225 30 10 IKEE Fc1ccc(/C=N/c2cc(-c3ccc(Br)cc3)n[nH]2)cc1Oc1ccccc1 9925881 KDIUHSNADMLXOB-AFUMVMLFSA-N 436.284 6.521 30 10 IKEE C=CCN(CC=C)C(=S)NC(=O)c1ccc(OCCCCCC)c(Br)c1 14641018 KVYQETCJLHRCMK-UHFFFAOYSA-N 439.419 5.097 30 10 IKEE C[C@H]1CCCN(CN2C(=O)/C(=N\c3ccc(Oc4ccccc4)cc3)c3ccccc32)C1 16609089 FZTXOTRDOWSKPN-DPXAEGEQSA-N 425.532 5.636 30 10 IKEE CC(C)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)cc1 21220430 UAGHGKPANJNQKU-LYZGTLIUSA-N 426.535 6.929 30 10 IKEE CCc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cc(Br)ccc2F)cc1 21250136 SXCFDFJUPBIIJR-QAPCUYQASA-N 442.328 5.155 30 10 IKEE COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(OC)c2)c1 21251427 IYXCVQFXBBZXLW-PPHZAIPVSA-N 426.516 5.683 30 10 IKEE COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccc(OC)c2)C3)c1 21251431 IYXCVQFXBBZXLW-WINIVTDRSA-N 426.516 5.683 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)NCc3cccc4ccccc34)cc21 22509796 XZIXUBDDYIKKMG-UHFFFAOYSA-N 429.520 5.099 30 10 IKEE CCCn1cc(CNC(=NC(=O)c2ccccc2C)Nc2cccc(Cl)c2C)c(C)n1 32972852 UDUUIUOMYIJJDW-UHFFFAOYSA-N 437.975 5.270 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@H]2/C=C\c1ccccc1 33780138 MEBYLSQVZSCHEG-LGIXDALBSA-N 448.566 6.484 30 10 IKEE O=C1/C(=C/c2cccc(Br)c2)S/C(=N/c2ccccn2)N1C1CCCCC1 39863058 BVJNBRSFMKLOKT-FGJAPUQFSA-N 442.382 5.781 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)Nc2sc(=S)c3c(c2C#N)CC[C@H](C)C3)cc(C)c1Cl 41017726 JVDKELVWOVCLHU-FZMZJTMJSA-N 447.025 6.150 30 10 IKEE CCOc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccccc2)C4)cc1 41646336 TVZHOZHOQXJNDW-OYKKKHCWSA-N 427.500 5.362 30 10 IKEE COc1ccc(-n2c(-c3ccc(F)cc3)cc(/C(C)=N/OCc3cccc(C)c3)c2C)cc1 97632258 GQUROSNYZSBDAY-TWKHWXDSSA-N 442.534 6.850 30 10 IKEE CN1C(=O)/C(=C/c2cccc3ccccc23)S/C1=N/c1nc(-c2ccccc2)cs1 101130098 HLVUPOVAQIFUPS-SXVBQMOPSA-N 427.554 6.197 30 10 IKEE CCCCCCCCCCn1c([C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)nc2ccccc21 102214094 IGGZRFLHBJWWJI-HSZRJFAPSA-N 449.614 6.832 30 10 IKEE CCCCCCCC(=O)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)[C@H](C)CC 102991038 DILPGWNXQGHZIB-HSZRJFAPSA-N 440.628 5.839 30 10 IKEE COc1ccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2cccc(C)c2)cc1 169923088 YDNOWFBAAJKIDO-VWLOTQADSA-N 427.500 5.106 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccc(C)c(C)c2)cc1 169924227 LDLLPNRSOXHQJO-DEOSSOPVSA-N 445.490 5.542 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(C)cc2C)c1 169935542 BARRSRRXUZUEQE-XMMPIXPASA-N 427.500 5.403 30 10 IKEE CCCOc1c(OC)cc(/C=N\Nc2nc(-c3ccc(C)cc3C)cs2)cc1OC 169943409 PZHPHQRYBOYOEX-CFRMEGHHSA-N 425.554 5.679 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(O)cc2)cc1 169959467 RGSKEONHOMYNGI-DEOSSOPVSA-N 443.499 5.055 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccc(O)cc2)c1 169960837 WTPZKIYSNIXXDS-DEOSSOPVSA-N 443.499 5.191 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccc(O)cc2)c(C)c1 169961206 MYLRPOXGRLPZJL-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@H]2c2cccc(C)c2)c1 169966325 OCAGEJPEPIBNPI-XMMPIXPASA-N 443.499 5.185 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2ccc(F)cc2F)c1 169971128 MGLFNPQARAHLFJ-HSZRJFAPSA-N 444.437 5.537 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2cc(F)ccc2F)c1 169971652 DLWIJCQEHFFGNU-QHCPKHFHSA-N 445.421 5.802 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2ccccn2)ccc1F 169994029 PVFIDNLYHDIXQP-NRFANRHFSA-N 436.870 5.274 30 10 IKEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2cccnc2)cc1 170001493 CBKYZRRYGQJREY-VWLOTQADSA-N 449.510 5.084 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccccc2F)cc1C 170070200 MIASANATMCBADI-VWLOTQADSA-N 429.491 5.544 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@H]1c1ccc(OC)cc1 170115882 DAVDTMGABFYFAQ-HSZRJFAPSA-N 437.536 5.108 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(O)cc2)cc1C(C)C 170138316 UQKLSWUWWNWPGV-DEOSSOPVSA-N 449.547 5.354 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2cccs2)c(C)c1 170157923 BKPDNCBMDONGIT-JOCHJYFZSA-N 433.529 5.465 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccs2)cc1 170166632 IOCILUMNNZYEJL-OAQYLSRUSA-N 425.550 5.304 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cccc2ccccc12 170220773 QOLRRDSXCPAMFF-AREMUKBSSA-N 439.555 6.097 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccc2)cc1 170234332 GLGNUJKAIQMAEE-DEOSSOPVSA-N 445.490 5.391 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2c2ccc(F)cc2)o1 170299779 FNLHVRSHVFBFOG-HSZRJFAPSA-N 447.506 6.116 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccc(C)o2)c(OC)c1 170302392 AQFFNUKNXKMSOV-QHCPKHFHSA-N 447.487 5.005 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccc(OC(C)C)c2)c1 170347797 HGPYTSMDEOOWNZ-QHCPKHFHSA-N 447.556 5.935 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 170415083 MCAONWTYMZLTBQ-DEOSSOPVSA-N 443.518 5.902 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1Cl 170469994 BFXBAEYPGQFOIL-NRFANRHFSA-N 439.983 6.461 30 10 IKEE CCCCCCCCCC[C@H](CCCCCCCC)CO[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O 207639696 UZLPXVWSLFHDJE-HNRDJRCMSA-N 430.670 5.340 30 10 IKEE C=CCN=c1scc(-c2cc3ccccc3o2)n1N=Cc1ccccc1Br 254739013 RHSOHCDNYVXGMU-UHFFFAOYSA-N 438.350 5.694 30 10 IKEE COc1ccc(-n2c(-c3cccc(OC)c3)cc(C(C)=NOCc3ccccc3)c2C)cc1 254792802 HMGIFGOQLBPHKC-UHFFFAOYSA-N 440.543 6.411 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cn(C)c3ccccc23)cc1 526485283 DUIYXRGNXBUUFG-VWLOTQADSA-N 435.483 5.116 30 10 IKEE CCCOc1ccc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1OC 526487888 AVIPCZGPEJOZIK-QHCPKHFHSA-N 446.528 5.474 30 10 IKEE COC(=O)c1ccc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526517210 SPULGVSAHRIQEA-JOCHJYFZSA-N 444.874 5.055 30 10 IKEE Cc1ccsc1/C=N\n1c(Cc2ccccc2)nnc1SCc1cccc(Cl)c1 526812676 HPRLGFMHTPTRFZ-OYKKKHCWSA-N 439.009 6.067 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1cccc(OC)c1 526814880 WPOHJPHMLHMTJO-CFRMEGHHSA-N 449.407 6.111 30 10 IKEE CCCOc1ccc(/C=N\n2c(CCC)nnc2SCc2ccc(C#N)cc2)cc1OC 526821983 DBFUPMMNLTVVNJ-QQXSKIMKSA-N 449.580 5.074 30 10 IKEE C=C(C)CN(c1ccc(OCC(C)C)cc1)S(=O)(=O)c1ccc(Br)cc1 586208827 UBUZRAIPINHMKU-UHFFFAOYSA-N 438.387 5.255 30 10 IKEE CCCCN(CCOC(C)=O)c1ccc(N=Nc2c(C#N)cc([N+](=O)[O-])cc2C#N)c(C)c1 606508616 ARSKJXYLLONUAJ-UHFFFAOYSA-N 448.483 5.232 30 10 IKEE CC1(C)O[C@H]2C(COCC(c3ccccc3)(c3ccccc3)c3ccccc3)=CC(=O)[C@@H]2O1 642882965 ZHBFUVNCOHXMAI-SVBPBHIXSA-N 440.539 5.067 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@H](C#N)c1ccc(Br)c(Cl)c1 698452774 CUDWOEMUKZKMHI-KRWDZBQOSA-N 427.770 6.237 30 10 IKEE CSCc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)cc1 724752368 OAXMJAZLZINGKW-LJQANCHMSA-N 447.398 6.318 30 10 IKEE CC(=O)c1cccc(N/C(=N/C2CCCC2)NC2CCC(CC3CCC(N)CC3)CC2)c1 1088735524 UOFLZVHWCCMJMS-UHFFFAOYSA-N 438.660 5.656 30 10 IKEE COc1cccc([C@@H]2N(Cc3ccccc3)CC(=O)N2/N=C(/C)c2ccc(Cl)cc2)c1 1615166007 VMYZJPARAUDTQL-JZXRGVEXSA-N 433.939 5.116 30 10 IKEE Cc1nnc(N=C2S/C(=C\c3cccc4ccccc34)C(=O)N2C2CCCCC2)s1 1772738993 RTDHNFWPDWFRTO-KWKLDLJFSA-N 434.590 5.936 30 10 IKEE O=c1cc(-c2c(F)c(F)c(F)c(F)c2F)[nH]c(-c2c(F)c(F)c(F)c(F)c2F)c1 1848358660 SNHNWNYBPRCZIH-UHFFFAOYSA-N 427.197 5.100 30 10 IKEE Cc1ccc(-c2nn(-c3cccc(F)c3)cc2/C=N\NC(=S)Nc2ccccc2)cc1C 1857808611 GZQISHVABWQAMP-DICXZTSXSA-N 443.551 5.616 30 10 IKEE N#Cc1cnn(-c2ccccc2)c1NC(=O)c1cccc(-c2nc3cc(Cl)ccc3o2)c1 1859744157 TUZCMDPHEQKREJ-UHFFFAOYSA-N 439.862 5.458 30 10 IKEE CCSc1ccc(Cl)cc1CC(=O)Nc1cccc(C(=O)Nc2ccc(C#N)cc2)c1 1860885846 PPHVBAWRVTXGTP-UHFFFAOYSA-N 449.963 5.757 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)C(c1ccccc1)c1ccccc1 1861476806 DWLJCXLISNUROQ-VWLOTQADSA-N 436.640 5.970 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCC(C)C)c1 1862418473 JKHCYSBOJCYKPD-QFIPXVFZSA-N 443.490 5.378 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@@H]2c2ccc(Cl)cc2Cl)cc1 1862522109 ZGGNCTJHRVNVEQ-LJQANCHMSA-N 434.319 5.380 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1cccc(OCCC)c1 1862564150 UDKLIWHHHDLNON-HSZRJFAPSA-N 436.552 5.216 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 1862622039 DOJGHZMMVOCWAN-HXUWFJFHSA-N 446.374 6.278 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(C)cc2)cc1F 1862636913 RDJPYUSZTKUMQU-QHCPKHFHSA-N 437.511 5.444 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1cccc2ccccc12 1862653244 CNQNFCFIXCDKJB-HSZRJFAPSA-N 442.471 5.269 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(F)cc1 1862661052 CDZMEWKPBSWBAF-HSZRJFAPSA-N 439.527 5.343 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1c(F)cccc1Cl 1862667002 QHFIZPFPFCZPIV-NRFANRHFSA-N 429.919 5.981 30 10 IKEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2F)cc1 1862673459 LSRQUWKRCXPIFG-NPMXOYFQSA-N 449.453 5.313 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 1862693188 YZJMVFCAJMGAHK-HSZRJFAPSA-N 433.548 5.514 30 10 IKEE COc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3cccc4ccccc34)C2=O)cc1 1862842301 GJOKQWKNXKVEDB-UHFFFAOYSA-N 445.478 5.117 30 10 IKEE CCCCCCCCNC1=C(c2cccc3ccccc23)C(=O)N(Cc2cccs2)C1=O 1863578114 LLXQSVHLWKRQEG-UHFFFAOYSA-N 446.616 6.132 30 10 IKEE N#Cc1nnn(Cc2cccc3ccccc23)c1NC(=O)c1ccc(-c2ccccc2)cc1 1870105294 LFLLOWBYMQZSES-UHFFFAOYSA-N 429.483 5.271 30 10 IKEE Cc1cc(Cl)ccc1-n1nnc(C#N)c1NC(=O)/C=C/c1ccc(Cl)c(Cl)c1 1870142812 WLRQBPNJHRUFAZ-XVNBXDOJSA-N 432.698 5.060 30 10 IKEE CCCCCCCCn1cc(OCC(=O)N[C@H](C)CC)c(=O)cc1CN(CCC)CCC 1870527804 JIDAAGVZGNINMO-JOCHJYFZSA-N 449.680 5.124 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2C)c(=O)cc1CN1CCC[C@@H](C)C1 1870628250 ZEOSGPFGWIYMSA-HSZRJFAPSA-N 438.656 6.328 30 10 IKEE CCCCCCCCCCn1cc(OCCO)c(=O)cc1CNc1ccc(C)c(C)c1 1870791107 DOGKGIAZVQUAIB-UHFFFAOYSA-N 428.617 5.589 30 10 IKEE C=CCOc1cn(Cc2ccncc2)c(CNc2ccc(Oc3ccccc3)cc2)cc1=O 1870809848 YLBPQUFZHTUHGP-UHFFFAOYSA-N 439.515 5.261 30 10 IKEE C=CCOc1cn(CCC2=CCCCC2)c(CNc2ccc(CC)c([N+](=O)[O-])c2)cc1=O 1870813627 UIQCXFYVTBTZFV-UHFFFAOYSA-N 437.540 5.386 30 10 IKEE CCCCCCCOc1cn(Cc2cccnc2)c(CNc2ccc3cc[nH]c3c2)cc1=O 1870830758 YCNGJMKCHDUZAR-UHFFFAOYSA-N 444.579 5.734 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)OC)c(=O)cc1CNc1cccc(C)c1 1870875044 MIBNUOOYDLVANV-UHFFFAOYSA-N 442.600 5.461 30 10 IKEE C#CCOc1cn(CCCOC(C)C)c(CNc2ccc(-c3ccccc3C)cc2)cc1=O 1871006164 SDAKVYAQBCUZNH-UHFFFAOYSA-N 444.575 5.263 30 10 IKEE C=CCn1cc(OCc2ccc(C)cc2)c(=O)cc1CNc1ccc(N(CC)CC)cc1 1871205957 ZTCPVICBAHPIBR-UHFFFAOYSA-N 431.580 5.380 30 10 IKEE C=CCn1cc(OCc2ccccc2F)c(=O)cc1CNc1cc(C(C)C)cc(C(C)C)c1 1871244609 MBEZGPFWBYJTMI-UHFFFAOYSA-N 448.582 6.611 30 10 IKEE Cc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc2c1C(=O)/C(=C/c1ccc(Cl)cc1)O2 1871370754 CTDWEIZDVRFDTH-JAIQZWGSSA-N 435.819 5.392 30 10 IKEE CCN(CCc1ccncc1)Cc1c(O)cc(C)c2c1O/C(=C\c1ccc(Cl)cc1)C2=O 1871394296 OYHQXGQXNJSVFL-HAHDFKILSA-N 448.950 5.430 30 10 IKEE CCc1cccc(CC)c1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(C)o1)C2=O 1871408011 ORFALNGTCIFBMD-WMWHPZEKSA-N 445.515 5.735 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)c(C)c1 1871411457 OBWCDCPKOPPSGN-GHRPQRKGSA-N 431.463 5.465 30 10 IKEE COc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(C)cc1)C2=O 1871411946 MUPBSRZAMJVDTF-SNNLMFDCSA-N 429.472 5.026 30 10 IKEE CCc1ccc(NC(=O)[C@@H](CC)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871425580 GOARCWUSKAXXJU-HRXKUDGMSA-N 445.515 5.871 30 10 IKEE CCCCCCCCCCN=c1nc(N2CCC(C)CC2)[nH]c(=Nc2ccccc2C)[nH]1 1871484269 YAPCQALTZNJEGJ-UHFFFAOYSA-N 438.664 5.556 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)c(Cl)c1)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1871810134 ATFITTJUKVXETM-HTAPYJJXSA-N 449.016 5.269 30 10 IKEE N#C[C@H](C(=O)COc1ccc(Cl)cc1)c1nc(-c2ccc(Br)cc2)cs1 1872764866 AHAKIIKDFBUXDI-MRXNPFEDSA-N 447.741 5.481 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3Br)n2)cc1 1872770326 PXUVUJNJVOCBRO-KRWDZBQOSA-N 441.350 5.851 30 10 IKEE CC(C)c1ccc(O[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc1 1872779077 AYXICKQHWIFNNK-KBXCAEBGSA-N 426.488 5.855 30 10 IKEE CCCCCCCCNC(=O)c1ccc(CN2CCc3cc(OC)c(OC)cc3C2)cc1 1872884068 JIZBQWRFWTUVQT-UHFFFAOYSA-N 438.612 5.352 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2cccnc2)=C(c2ccccc2C)C1=O 1873100478 NWEULIMUBFOKNI-UHFFFAOYSA-N 433.596 5.400 30 10 IKEE CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1ccc(F)cc1F 1874202578 JTXILFMCJWFSPQ-LGJNPRDNSA-N 444.551 5.735 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1cccc(Cl)c1 1874214664 YQIFHYSHVZEJJT-BUVRLJJBSA-N 447.391 5.757 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(OC)cc2)n1/N=C/c1ccccc1Cl 1874221447 LCZJVSTXOFYNEK-LFVJCYFKSA-N 442.972 5.112 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(OCC)cc2)n1/N=C/c1ccc(Cl)cc1 1874235324 BZMMGHOMDHWFKD-ZMOGYAJESA-N 442.972 5.460 30 10 IKEE COc1ccccc1OCc1nnc(SCc2ccccc2)n1/N=C/c1ccccc1F 1874291646 ZYACEOHKSXXQBP-CVKSISIWSA-N 448.523 5.179 30 10 IKEE Cc1ccc(CSc2nnc(CCOc3ccccc3)n2/N=C/c2sccc2C)cc1 1874346049 UGUIDVHEEIJWDB-PCLIKHOPSA-N 448.617 5.752 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2/N=C/c2cccnc2)cc1C 1874359066 NFBNQBWBHRRTTO-JFLMPSFJSA-N 447.995 5.709 30 10 IKEE Cc1ccsc1/C=N/n1c(COc2ccccc2)nnc1SCc1ccc(F)cc1 1874383718 JNWOSNLUYKGROX-ZMOGYAJESA-N 438.553 5.541 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3F)n2/N=C/c2cccc(F)c2)cc1 1874389272 LTQFYUDKKBFYKQ-JFLMPSFJSA-N 434.515 5.630 30 10 IKEE CCOc1cccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccccc2C)c1 1874406673 UQFAAVMGGXOPTP-OVVQPSECSA-N 448.636 6.283 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2-c2ccccc2)c(O)c1 1874429420 IZPUBUNPBMYSPY-ZMOGYAJESA-N 436.924 5.184 30 10 IKEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3cc(C)ccc3C)nnc2C2CCCC2)cc1 1874451594 GYRUNWPCHSGHKX-CVKSISIWSA-N 447.608 5.474 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(O)c(O)c1 1874479202 OBELKPSITOWFQU-MFKUBSTISA-N 432.549 5.360 30 10 IKEE CC(C)(C)c1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3)nnc2C2CC2)cc1 1874516539 CPHCRZFSLVKTQL-MFKUBSTISA-N 433.581 5.066 30 10 IKEE CCc1ccc(C(=O)/C=C/c2c(OCC(=O)Nc3cccc(C)c3)ccc3ccccc23)cc1 1874573158 YNSOPXCEDFRXNY-WUKNDPDISA-N 449.550 6.624 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc(C(C)C)cc2)c1 1874583241 DAUUBDPHRDMUNS-FOCLMDBBSA-N 427.544 6.340 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(C(C)C)cc2)c1 1874583899 LTBZVPNWCMWDCP-ACCUITESSA-N 447.962 6.685 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccccc2F)c(OC)c1 1874587756 CDNIEVFRKITEAT-YRNVUSSQSA-N 426.871 5.971 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2ccccc2OCc2cc(C)ccc2C)cc1Cl 1874588400 KIQRYGDYQZRDHQ-VAWYXSNFSA-N 436.935 6.449 30 10 IKEE COc1cccc(/C=C/C(=O)c2c(C)cc(C)cc2C)c1OCC(=O)Nc1cccc(C)c1 1874590095 SLRPSJZRYLZKGN-OUKQBFOZSA-N 443.543 5.842 30 10 IKEE CCCN(CCC)C(=O)COc1ccccc1/C=C/C(=O)c1ccc(OC)c(Cl)c1 1874590427 KZEWWYFQSYJUBU-ZRDIBKRKSA-N 429.944 5.272 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Cl)c1OCC(=O)OCC(C)C 1874612273 MMLMJXAMIURRMY-BQYQJAHWSA-N 437.319 5.476 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cc(Cl)c(OCCCO)c(OC)c2)cc1C(C)C 1874627777 VSXKZGMQNWTASA-BQYQJAHWSA-N 432.944 5.446 30 10 IKEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1Br 1874631665 OESMUSNJJNSXKX-RMKNXTFCSA-N 431.326 5.294 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 1874638722 ONKIPSKBLIKBDK-YRNVUSSQSA-N 447.745 7.131 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(Cl)c(Cl)c2)c1)c1cccc([N+](=O)[O-])c1 1874692725 VCFLXCHOCFICNH-JXMROGBWSA-N 442.254 6.017 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OC(=O)c1ccccc1[N+](=O)[O-] 1874700871 QKZZBCAKHNETKQ-WUXMJOGZSA-N 437.835 5.372 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cccc(OC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)c2)c1 1874703317 JUIBNQLUORKLGJ-UPMCQBDUSA-N 442.555 6.696 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccccc2OCC)CSc2nnc(C(C)C)n21 1874854611 KEPOQVYROCXRJL-FQEVSTJZSA-N 444.645 5.862 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1[N+](=O)[O-] 1875097256 BMOOYNFRLBXFLQ-GXDHUFHOSA-N 441.483 5.897 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3c(C)cccc3C)c(OC)c2)cc1 1875101426 OFFQECNGFYAUNG-RVDMUPIBSA-N 444.527 5.755 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 1875113566 NOHAIORDQSIXSF-VZUCSPMQSA-N 442.254 6.017 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)c1ccccc1Cl 1875129147 MPUQOGIOAOCGRX-CCEZHUSRSA-N 432.903 6.192 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccccn1 1875132595 JPCMFUZRONKMOM-UXBLZVDNSA-N 442.298 5.902 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(F)c3)cc2)cc1 1875152228 KKYCWQQRCIOUEO-VGOFMYFVSA-N 434.463 5.277 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3cccc4ccccc34)cc2)cc1 1875153833 AIEWAVUMKYJYIS-XMHGGMMESA-N 436.507 6.283 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(OC)c1OC(=O)c1cccnc1 1875154390 BRVAWNMMQUQQEW-CCEZHUSRSA-N 449.506 6.087 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)cc2)cc1 1875156100 KECAWSIHEJTKHR-WKQQXXLOSA-N 444.958 7.069 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(C(F)(F)F)cc2)cc1)c1ccc(F)c(F)c1 1875161802 IPIFPMQFEXUIIS-KGVSQERTSA-N 432.344 6.099 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(F)c3)cc2)CC1 1875161957 PEORIJBNVSLEMM-CXUHLZMHSA-N 426.503 6.763 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)Cc1ccc(C)cc1 1875171743 KVRBAEHQCIEGQM-ZRDIBKRKSA-N 444.527 5.673 30 10 IKEE CCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1[N+](=O)[O-] 1875188400 VSJYIWKYVKEYGI-FNORWQNLSA-N 438.263 5.512 30 10 IKEE CCCCCCCN(C)C(=O)c1cc(Br)ccc1I 1887038021 FBGHQAQCWIANOY-UHFFFAOYSA-N 438.147 5.096 30 10 IKEE O=C(Nc1cccc(Oc2ccc(F)cc2)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1892412449 JOMJJGMGELXBPQ-UHFFFAOYSA-N 443.318 6.908 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](Cc2cc(Br)ccc2Cl)NCC)C1 1892684069 IEABOXPCHNUOGN-KRWDZBQOSA-N 443.813 5.237 30 10 IKEE C#CCCN(C(=O)[C@@H](CC)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCC1 1901527901 BIZOADLUTALNCV-AREMUKBSSA-N 444.575 5.098 30 10 IKEE C=C(COCc1ccccc1)[C@H](O)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 1922104799 UIXORQQBFWEVKN-FQEVSTJZSA-N 448.357 5.603 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)C1(NC(=O)OC(C)(C)C)CC2(CCC2)C1 1922116521 RCOCECFHQKZBMR-JOCHJYFZSA-N 428.617 5.355 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@H]1CCN(C(=O)OC(C)(C)C)c2ccccc21 1922116558 RHDGYBKCGUVWGD-ILBGXUMGSA-N 436.596 5.667 30 10 IKEE CC1(C)CN(C(=O)OC(C)(C)C)C[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 1922772911 DGWYIWINZPERKV-RUZDIDTESA-N 443.588 5.353 30 10 IKEE C=CCN(C(=O)OC(C)(C)C)[C@@]1(C#N)[C@@H](CNC(=O)OC(C)(C)C)CCCC12CCC2 1924817915 LYJWZUTZOWKFEX-KOSHJBKYSA-N 433.593 5.167 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)c2c(Br)cccc2Br)C1 1937840438 BPQQZDBECBKKCU-LLVKDONJSA-N 445.151 5.008 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@]1(C#N)CC[C@H]1NC(=O)OCc1ccccc1 1959030384 LDQGSBYIANOMAD-BWKNWUBXSA-N 441.572 5.297 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCC[C@@H]2NC(=O)OC(C)(C)C)c1 2031459545 SOQKZIAQJLYVSW-CYFREDJKSA-N 445.560 5.166 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H](CNC(=O)OC(C)(C)C)CC(C)C 2033654253 ZHGFBAXFMCWSRK-TZIWHRDSSA-N 445.604 5.816 30 10 IKEE C[C@@H](N(Cc1ccccc1)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F)C(C)(C)C 2034763551 IYGGNPFKRCLHDE-LJQANCHMSA-N 425.397 5.562 30 10 IKEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(C)cc1 2045240007 JWOSMPSFYXYUFS-CLOONOSVSA-N 443.588 5.666 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)ccc1Br)NCCC 2063090130 JXBZGXMYHVLPRO-IAGOWNOFSA-N 431.802 5.093 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C12CCC2 2076647112 JDEUFTYXZUQIGO-RUZDIDTESA-N 441.572 5.644 30 10 IKEE C[C@@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)(F)F)c(C#N)c1Br 2080056519 UUUZWCYKLZAWBP-LURJTMIESA-N 430.121 5.303 30 10 IKEE CCCCC#CC[C@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2083449491 ZCAGNRPSFRQXIS-RPLLCQBOSA-N 441.660 5.108 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Cl)c(Nc2cc(Br)c(C#N)cc2F)c1 2106102156 JNCZDGZDBNHXQV-UHFFFAOYSA-N 440.700 6.204 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)cc(Br)c1)NCCC 2110500023 FYSOARNSXDBZSE-ZWKOTPCHSA-N 445.829 5.483 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(C)c(Br)cc1C 2136376029 BESNBXYSOBYCFD-OALUTQOASA-N 425.411 5.576 30 10 IKEE CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)Nc1ccc(Br)cc1 2149843761 PYOVULQYTSDAEW-IIBYNOLFSA-N 436.394 5.426 30 10 IKEE C=CCCCCCCCC[C@@H](N)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2207408264 IEGWSZIEYNUAFF-LJQANCHMSA-N 439.438 7.103 30 10 IKEE C=CCOc1cc(C(=O)O)c(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1OC 2243586676 UDHKWXPIBDQUSU-UHFFFAOYSA-N 445.471 5.319 30 10 IKEE CC[C@H](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 2252638274 PFWZPFAOCAYMRJ-AVYPCKFXSA-N 449.514 5.246 30 10 IKEE CC(C)[C@H](C)N(Cc1ccccc1)C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1Cl 2255545112 KWZGXIZIVTZYQP-SFHVURJKSA-N 441.808 5.326 30 10 IKEE CCN(Cc1ccccc1NC(=O)C1(B2OC(C)(C)C(C)(C)O2)CC1)C(=O)OC(C)(C)C 2267187252 VOBUPWLUZFQIRF-UHFFFAOYSA-N 444.381 5.009 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Br)cc(C(C)(C)C)c1 2273004333 ALGOXSQYHRBARQ-ROUUACIJSA-N 425.411 5.477 30 10 IKEE Cc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c(B2OC(C)(C)C(C)(C)O2)c1 2282681650 GUMZBUXKCOCPRQ-UHFFFAOYSA-N 443.352 5.126 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)[C@@]2(C#N)Nc1ccccc1Br 2285961205 QFBQZIUDGOBVKF-OFIQSVQDSA-N 434.378 5.227 30 10 IKEE CCOc1ccc2ccccc2c1C=C1SC(=Nc2ccccc2)N(CCOC)C1=O 2294025299 BGOFCPTWTLESKZ-UHFFFAOYSA-N 432.545 5.489 30 10 IKEE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(=Cc1c(Cl)cccc1Cl)C2=O 2296866103 WYFYGZJNMVIGIE-UHFFFAOYSA-N 441.266 5.837 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@H](C#N)[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C 2299161834 OSEOASWZYXFCBE-MSOLQXFVSA-N 433.524 5.105 30 10 IKEE C=CCN1C(=O)C(=Cc2c[nH]nc2-c2ccccc2)SC1=Nc1cccc2ccccc12 2314480915 VYMUYBLJFBERLX-UHFFFAOYSA-N 436.540 6.020 30 10 IKEE Cc1cccc(N=C2SC(=Cc3ccc(-c4ccc(Cl)c(Cl)c4)o3)C(=O)N2C)n1 2314540663 VOCWKTLXXJSGIN-UHFFFAOYSA-N 444.343 6.191 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Cl)cc(Br)c1F 2315459034 SRTBOOKMGAAGJM-ZBFHGGJFSA-N 435.765 5.362 30 10 IKEE COc1ccc([C@@H](C)N2COc3ccc4c(c3C2)OC(=Cc2ccc(C)o2)C4=O)cc1OC 2322260350 AYWAABUKURNXCF-MRXNPFEDSA-N 447.487 5.135 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(C(C)(C)C)cc1)C3=O)CN(C1CCCCCC1)CO2 2322362653 GDKXLSDOXLDAGC-UHFFFAOYSA-N 445.603 6.783 30 10 IKEE Cc1cccc(NC(=O)COc2ccccc2C=CC(=O)c2ccc(Cl)cc2Cl)c1 2322379329 YSEKNDOMERPKLV-UHFFFAOYSA-N 440.326 6.215 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCC(=O)OCC(C)C)ccc3ccccc23)cc1F 2322708398 LIDBDXOARPZIFR-UHFFFAOYSA-N 436.479 5.462 30 10 IKEE CCCOc1c(Br)cc(C=NNc2nc3ccccc3s2)cc1OCC 2323153747 CQHCWECBVOKLFE-UHFFFAOYSA-N 434.359 5.692 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1c(Cl)cccc1Cl)C2=O)c1cccc(F)c1 2323288903 UCQRXJMSOOQFFU-UHFFFAOYSA-N 429.230 5.968 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OCC(=O)Nc3cccc(C)c3)c2)cc1C 2323323492 IWPVOBSIFOKHMW-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE O=C(Cc1cc(Cl)ccc1Cl)Oc1ccc2c(c1)OC(=Cc1ccccc1)C2=O 2323403980 GMBCUHNLIPVOIA-UHFFFAOYSA-N 425.267 5.758 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OCc1ccc(Cl)cc1 2323412852 JSMQBOQCLAFBJC-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CCC(C)(C)C[C@@H]1CNC(=O)OC(C)(C)C 2323467654 VEONHUJWUTXNGA-QFQXNSOFSA-N 444.616 5.239 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)cc(Cl)c1OCCc1ccccc1 2323635209 QVHSSCGWJICDEG-UHFFFAOYSA-N 436.935 6.265 30 10 IKEE C=C(C)COc1c(Br)cc(C=CC(=O)c2ccccc2OC)cc1OCC 2323717078 SPCVHKWNRCHCDG-UHFFFAOYSA-N 431.326 5.707 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccccc2)cc1Br)Nc1ccccc1 2323812638 NQWOEZSUMBUVQK-UHFFFAOYSA-N 436.305 5.363 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2C)OC(=CC=Cc2ccccc2)C3=O)cc1 2323831307 SZUYSUNIXBVYEN-UHFFFAOYSA-N 440.495 6.175 30 10 IKEE C=CCOc1c(Br)cc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1OCC 2324306609 CEBROHIUDFXLPQ-UHFFFAOYSA-N 445.353 5.934 30 10 IKEE COc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccccc1F)C2=O 2324473736 WQKADIVPODNZOU-MRXNPFEDSA-N 447.462 5.165 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2OC)ccc1OCc1cc(C)ccc1C 2324474880 LFDLATGOXOLSRP-UHFFFAOYSA-N 446.543 6.194 30 10 IKEE CCOC(COc1cc(C)c2c(c1)OC(=Cc1c(Cl)cccc1Cl)C2=O)OCC 2324741889 LYNHQLLQYPAYLK-UHFFFAOYSA-N 437.319 5.696 30 10 IKEE COc1ccc(C=C2Oc3cc(OCc4ccccc4)cc(C)c3C2=O)c(OC)c1OC 2324840851 KEZRWGNACUKJFF-UHFFFAOYSA-N 432.472 5.216 30 10 IKEE Cc1ccc(CCOc2ccc3c(c2C)OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)cc1 2325372771 ZVERVKBTVMWVMO-UHFFFAOYSA-N 426.556 6.839 30 10 IKEE COc1cccc(C(=O)C=Cc2cccc(OC(=O)CCCOc3cccc(C)c3)c2)c1 2325707973 NUPVYDAOWRIASX-UHFFFAOYSA-N 430.500 5.664 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2c(F)cccc2Cl)c1)c1ccc([N+](=O)[O-])cc1 2325722505 CHFJCMDLLXKPIN-UHFFFAOYSA-N 425.799 5.503 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3cc(C)ccc3OC)c2)c(OC)c1 2325743290 ABRLZAICYQACDM-UHFFFAOYSA-N 446.499 5.065 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2c(F)cccc2Cl)c1)c1cc(Cl)ccc1Cl 2325774428 RRNYERQIJPODDZ-UHFFFAOYSA-N 449.692 6.901 30 10 IKEE CCSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1ccccc1O 2325883214 UMAAIHYKVKVLSX-UHFFFAOYSA-N 432.549 5.143 30 10 IKEE CCSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1ccc(F)cc1F 2325912131 OMNROCVZFLBZNU-UHFFFAOYSA-N 443.306 5.436 30 10 IKEE CCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1cn(C)c2ccccc12 2326331570 NSAFIFXUMJUXCP-UHFFFAOYSA-N 445.636 6.194 30 10 IKEE CC(C)(C)[C@@](C)(CS)COc1cc(Br)cc(I)c1 2327165207 HWEOFRBRAASJNA-CQSZACIVSA-N 443.188 5.415 30 10 IKEE CCOc1ccc(C=Nn2c(Cc3cccc4ccccc34)nnc2SCC)cc1OC 2327743904 AZJNTHUGUOFZRW-UHFFFAOYSA-N 446.576 5.424 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](C2CCC(C#N)(N(C(=O)OC(C)(C)C)C3CCC3)CC2)C1 2327982375 LAFWQBBMBXKSSN-FAFRJYIDSA-N 447.620 5.486 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3[N+](=O)[O-])n2N=Cc2ccccc2)c1 2328453867 BWBLRTQHLOADOR-UHFFFAOYSA-N 443.532 5.260 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1ccccc1Cl 2328567483 UNJYSSXHFKYRRP-UHFFFAOYSA-N 426.973 5.471 30 10 IKEE Cn1cccc1C=Nn1c(Cc2ccc(Cl)cc2)nnc1SCc1ccc(F)cc1 2329077763 RMUIESVVSDAIOM-UHFFFAOYSA-N 439.947 5.174 30 10 IKEE Cc1ccc(O)c(C=Nn2c(Cc3ccc(Cl)cc3)nnc2SCc2ccccc2)c1 2329101095 SVDKREDISYIYLS-UHFFFAOYSA-N 448.979 5.711 30 10 IKEE Cc1cccc(C=Nn2c(COCc3ccccc3)nnc2SCCc2ccccc2)c1 2329342835 XQYPXAAGRXIENX-UHFFFAOYSA-N 442.588 5.520 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1cccc(OC)c1OC 2329422122 WPUMXQFZGJHCGY-UHFFFAOYSA-N 436.581 5.053 30 10 IKEE Cc1ccc(O)c(C=Nn2c(CCc3ccccc3C)nnc2SCc2ccccc2)c1 2329488486 QPBZFFPAXFEOMP-UHFFFAOYSA-N 442.588 5.560 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccccn1 2329489522 USRHRZFMJWLGJV-UHFFFAOYSA-N 447.995 5.595 30 10 IKEE Fc1ccccc1CSc1nnc(CCc2cccs2)n1N=Cc1cccs1 2329663696 WPSIYYXPQXZFAV-UHFFFAOYSA-N 428.583 5.500 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3F)n2N=Cc2cccc(F)c2)cc1 2329995168 LTQFYUDKKBFYKQ-UHFFFAOYSA-N 434.515 5.630 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccccc3C)nnc2[C@@H](C)c2ccccc2)cc1 2330057106 GAVMHINEPPMFTH-FQEVSTJZSA-N 442.588 5.921 30 10 IKEE COc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccccc2C)cc1 2330164897 SSJHXADGHSPUSB-UHFFFAOYSA-N 442.588 5.555 30 10 IKEE CCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)C=Cc1ccc(Br)cc1 2330499239 SZJHJRNYFDGRQB-JOCHJYFZSA-N 437.422 5.224 30 10 IKEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OC(=O)C1CCCC1 2330619689 XMDNSKJEJUIEIV-UHFFFAOYSA-N 429.856 5.249 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@H]3CCCO3)n2N=Cc2c(F)cccc2Cl)c1 2330961698 VWDMQNOOHRBVTQ-HXUWFJFHSA-N 444.963 5.713 30 10 IKEE O=C(Cc1ccc(Cl)cc1)Oc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1Cl 2331122861 VANZXJFFNCRLLT-UHFFFAOYSA-N 445.729 6.691 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC(=O)[C@H](C)c1ccccc1 2331154761 WKHGEFFFMXZQLS-GOSISDBHSA-N 434.919 6.344 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)c1ccc(OC)cc1 2331183071 IYQXJBOTWBLZMR-UHFFFAOYSA-N 428.484 5.548 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)C(C)(C)C)c(OCC)c2)cc1 2331201767 VTLCJGCZTNNSNV-UHFFFAOYSA-N 430.928 5.985 30 10 IKEE CSCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1Br 2331224550 IWDPFKIKQZQCDT-UHFFFAOYSA-N 447.394 6.011 30 10 IKEE Fc1cccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2-c2ccco2)c1 2331225750 XSAXYFYVJISOIC-UHFFFAOYSA-N 447.322 6.159 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1N=Cc1ccc(C)cc1 2331322566 MQHOLPXVXPYXIS-UHFFFAOYSA-N 435.597 5.159 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)[C@@H](C)c1ccccc1 2331445541 JLDCMGVASGBPKS-SFHVURJKSA-N 444.483 5.419 30 10 IKEE CC(C)CC(=O)Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1Br 2331473133 HMYSXGCBPYUFSB-UHFFFAOYSA-N 437.333 6.450 30 10 IKEE Cc1ccc(C=Nn2c(SCC(=O)Nc3cccc(C)c3C)nnc2C2CCC2)cc1 2331489888 IRQVZASDDXRKPR-UHFFFAOYSA-N 433.581 5.084 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)CCCOc1ccccc1 2331535511 RQCRPOIEQNZZME-UHFFFAOYSA-N 448.490 5.885 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)CCc1ccc(Cl)cc1 2331540136 MUEKYRXUEJVYFN-UHFFFAOYSA-N 438.882 5.922 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2F)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 2331562619 XYTZCDNRQLAWLL-UHFFFAOYSA-N 427.334 5.127 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)cc(Cl)c1OC(=O)C(C)C 2331618415 JGFDXGOXTULUIT-UHFFFAOYSA-N 430.928 5.822 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc(O)cc1O 2331661848 BDTFTUPNWMYIAI-UHFFFAOYSA-N 437.352 5.123 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2Cl)c(C)c1 2331705827 RKYKLUBGXXSXQZ-UHFFFAOYSA-N 448.946 6.454 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1Cl 2331706352 FWAWQBXUCOBNIQ-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3cccs3)c(Cl)c2)cc1C 2331840983 NDAKFCLVQBLZHX-UHFFFAOYSA-N 440.948 6.071 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cnccn3)c(Cl)c2)c2ccccc12 2331868936 LEMRJJSGBMDMBC-UHFFFAOYSA-N 444.874 5.407 30 10 IKEE N#Cc1nc(-c2ccc(Br)o2)oc1NN=Cc1c(Cl)cccc1Cl 2331936496 KIIPXPFXSBHLRO-UHFFFAOYSA-N 426.057 5.322 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(Nc2ccc(Br)c(Cl)c2C)n1 2362164692 UZYWBOBWFHPGGK-UHFFFAOYSA-N 437.574 5.157 30 10 IKEE CC1(C)OB(/C=C/c2ccc(N[C@H]3C[C@H]4C[C@@H](C3)N(Cc3ccccc3)C4)nc2)OC1(C)C 2365130250 SJVJMBUFOAUKSA-KEWPXGLPSA-N 445.416 5.191 30 10 IKEE C=C(C)C/N=c1\scc(-c2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccc(N(CC)CC)cc1 15980534 NMUIGYDLTSKBFA-UPKSYYNSSA-N 449.580 5.330 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(OC)c2)cc1 21227361 IISRXMXKAWZAPB-PIIWDFAUSA-N 440.543 6.073 30 10 IKEE COc1cc(OC)cc(-c2cc(/C=C\c3ccccc3)c(C#N)c3nc4ccccc4n23)c1 33614409 BFCDVIXKIYVOAA-SEYXRHQNSA-N 431.495 6.214 30 10 IKEE C=CCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@@H](c1ccccc1)N(Cc1ccccc1F)CC2 34667498 YPWTUUKWFBFQLO-NFQMXDRXSA-N 444.550 5.043 30 10 IKEE FC(F)(F)c1cnc(/C(=N\Nc2ccc(Cl)nn2)c2ccc(Cl)cc2)c(Cl)c1 38180862 FPCPWWYEHXWIIH-MBTHVWNTSA-N 446.647 5.715 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(C(C)(C)C)cc4)c3C)C2=O)c1 41288468 KTJYLLYXUCRDAC-JLPGSUDCSA-N 426.512 6.436 30 10 IKEE Cc1cc(OC(=O)Cc2ccccc2)cc2c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O2 41355831 VAEHEHHWILOILM-IWIPYMOSSA-N 426.512 6.057 30 10 IKEE COc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(C3CCCCC3)C4)C2=O)c(OC)c1 41587155 AXRXIFAVHPSDIM-FMCGGJTJSA-N 435.520 5.113 30 10 IKEE C=CCn1cc(/C=N/c2sc3c(c2C(=O)NCc2ccco2)CCCC3)c2ccccc21 58826638 CWUYIEYEXRLKTG-RWPZCVJISA-N 443.572 6.041 30 10 IKEE CC/C(=N/Nc1nc(SCC(=O)Nc2cc(Cl)ccc2Cl)n[nH]1)c1ccccc1 59020381 DJSZLLPAGFHPFS-IWIPYMOSSA-N 449.367 5.069 30 10 IKEE O=C(CSc1ccc(/C=N/c2nc3ccc([N+](=O)[O-])cc3s2)o1)Nc1ccccc1 59382201 XUDDPEGCRSEGKL-SRZZPIQSSA-N 438.490 5.279 30 10 IKEE Cc1nc(S[C@@H](C)C(=O)/C=C2\N(C)c3ccccc3C2(C)C)n(C[C@@H]2CCCO2)c1C 96931255 HFMWTEOTWVTYJJ-LAUXKIPWSA-N 439.625 5.040 30 10 IKEE CCCCCCCOc1cccc(NC(=O)CNc2cccc(C(=O)NC(C)(C)C)c2)c1 100115101 APVYWTZAPOWKKC-UHFFFAOYSA-N 439.600 5.615 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2 100347548 YVJKBHYLMIKQLY-AXHZCLLHSA-N 446.418 7.875 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1cccc(OCCC(C)C)c1 100443966 IPROTBVMTQUHRC-UHFFFAOYSA-N 448.717 7.626 30 10 IKEE Cc1ccc(/C=C2/Oc3cc(OC(=O)N(c4ccccc4)c4ccccc4)ccc3C2=O)o1 103018506 ICUSUNFKOGBTJQ-KOEQRZSOSA-N 437.451 6.541 30 10 IKEE CC1(C)C(=S)N(c2ccccc2Cl)/C(=N\C2CCCCC2)[C@H]1N1CCSCC1 105421708 KIBGZXXEKNJNQP-GQEFARFYSA-N 436.090 5.662 30 10 IKEE C=C(CC[C@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@]35CC[C@]12C)C(C)C 121236799 AEAWOMODYBIREN-VLTLSOIRSA-N 438.740 8.623 30 10 IKEE CCCN1C(=S)N[C@H](c2ccc(OCCCc3ccccc3)cc2)C2=C1CCCC2=O 169929928 XKXNPXFKZJDMLZ-RUZDIDTESA-N 434.605 5.347 30 10 IKEE CCOc1c(OC)cc(/C=N\Nc2nc(-c3c(C)cc(C)cc3C)cs2)cc1OC 169943415 ZAUJNJFDSZHEIB-MSXFZWOLSA-N 425.554 5.597 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2cccs2)cc1 169988624 LZUMDIHMUZGPGA-JOCHJYFZSA-N 433.529 5.152 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2cccnc2)c1 170012634 FEQAUCFMQNSISZ-DEOSSOPVSA-N 426.516 5.094 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccccn2)cc1 170067444 ORACYVOSBHTGIP-QHCPKHFHSA-N 446.934 5.637 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccncc2)cc1 170068097 HTKCIDPTXUGUJU-HSZRJFAPSA-N 446.934 5.637 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccccc2C)cc1 170089158 PLWCOJILAPCJMS-VWLOTQADSA-N 441.527 5.793 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCCOC(C)C)c1 170148294 OYNWDUJNCNWALE-VWLOTQADSA-N 443.543 5.542 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccs1)c1cc2cc(Cl)ccc2o1 170162610 DNQLITMXPUSHFK-IBGZPJMESA-N 439.876 5.519 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@H]2c2cccs2)cc1 170165023 URWQYECPQJIRPC-NRFANRHFSA-N 427.566 5.696 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1cccs1 170165794 ZTVIWAUJFOZNRA-LJQANCHMSA-N 425.506 5.271 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC(C)C)cc3)[C@H]2c2ccccn2)c1 170170596 LTWQMFUXQDNOFB-XMMPIXPASA-N 442.515 5.208 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1ccncc1 170206478 VXKSBXPSPKQJCM-NRFANRHFSA-N 448.906 5.143 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccncc2)cc1C(C)C 170209219 IRRGSMSXVYMWTB-DEOSSOPVSA-N 448.563 5.515 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@H]1c1ccncc1 170210967 TYWQWDZSMVGMDB-JOCHJYFZSA-N 436.552 5.156 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(OC)c3)[C@H]2c2ccccc2)c1 170221289 SMASZEOVAVQLOE-JOCHJYFZSA-N 449.890 5.140 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2ccccc2)cc1C 170229622 XHRLARLUEDAFGB-JOCHJYFZSA-N 435.426 5.065 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(Cl)cc1 170236878 SVBSXTZYPGJTKK-HXUWFJFHSA-N 446.330 5.523 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2C2CCCCC2)cc1 170266701 UZAGGCGNXIWFNI-XMMPIXPASA-N 433.548 5.477 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@H]1c1ccc(CC)cc1 170268371 ITFCQDRINCSPLG-XMMPIXPASA-N 435.564 5.725 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(c3[nH]c4ccc(C)cc4c3C)CC2)c1 170295012 AOANUXAGFWMSDH-UHFFFAOYSA-N 429.608 6.642 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@@H]2c2ccc(C)o2)c1 170300482 RFBGPIMTKQEOAC-DEOSSOPVSA-N 445.515 5.775 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@H]1c1ccc(C)o1 170302140 FDJOWRBMKOBYNZ-QHCPKHFHSA-N 431.488 5.305 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCCC)c2)[C@H]1c1c(C)[nH]c2ccccc12 170311797 PBZRMJKNRHDYTJ-XMMPIXPASA-N 446.547 5.644 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2sccc2C)c(C)c1 170313810 WGWNJOIZADLPND-HXUWFJFHSA-N 437.492 5.296 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(C(F)(F)F)cc2)c1 170344949 HQGBWOGWTQYUPV-LJQANCHMSA-N 443.446 5.858 30 10 IKEE CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 170469300 YDQVBWAQOCTUSS-DEOSSOPVSA-N 448.563 5.458 30 10 IKEE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/Oc3ccc(C)cc3C2=O)cc1 213994191 XNUARAJNTHVMJF-PCLIKHOPSA-N 438.552 6.576 30 10 IKEE CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2CC)SC1=Nc1cccc(C)c1 252607181 GZDFUFJCLKDMIW-BZMHFZIGSA-N 425.579 5.388 30 10 IKEE COC(=O)c1ccc(/C=C2\SC(=Nc3cccc(C)c3)N(c3cccc(C)c3)C2=O)cc1 252631834 VMWGBDZMGOXHLP-MLSYBWHESA-N 442.540 5.899 30 10 IKEE CCc1ccccc1N=C1S/C(=C/c2ccccc2Cl)C(=O)N1c1ccccc1CC 252642362 ZLIKNLUFMVQUGZ-KISRHMMLSA-N 447.003 7.273 30 10 IKEE Oc1c(Br)cc(Cl)cc1C=Nc1ccc2[nH]c(-c3ccccc3)nc2c1 254289380 YKOMKCVESYTECY-UHFFFAOYSA-N 426.701 6.102 30 10 IKEE Cc1ccc(N=Cc2c(OC(=O)c3cccc4ccccc34)ccc3ccccc23)cc1C 254420860 XZOFNVFGNLQSTF-UHFFFAOYSA-N 429.519 7.580 30 10 IKEE O=C(/C=C/C=C\c1ccccc1)C(C(=O)/C=C/C=C\c1ccccc1)=C1SCCS1 254441425 OVOLHPLRXFFCOQ-GIUXIPRXSA-N 430.594 6.355 30 10 IKEE CCN(CC)c1ccc(C=NNc2ncnc3sc4c(c23)C[C@H](C(C)(C)CC)CC4)cc1 254708063 TZKRCBPRLXRXGF-LJQANCHMSA-N 449.668 6.525 30 10 IKEE CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)SC1=Nc1ccc(C(C)=O)cc1 254740044 LLRYHZAZHYKABI-JSYGVCDLSA-N 437.590 5.663 30 10 IKEE C=C(COCCC)[C@H](NCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 407121390 RMQLYQHXRARMKW-SFHVURJKSA-N 427.383 5.430 30 10 IKEE Cc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccc(OCC(C)C)c2)cc1 526520013 DDUSLXTUWLYJDD-SANMLTNESA-N 438.527 5.959 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(NC(=O)Nc3ccccc3F)CC2)c1 586087962 BFPNVYAKBVSYSR-UHFFFAOYSA-N 438.547 5.090 30 10 IKEE N#CCCCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586241288 MXHVCSCSWKGYGF-UHFFFAOYSA-N 437.270 5.511 30 10 IKEE C=CCN(CC=C)C(=O)Nc1ccc(OC(=O)C(c2ccccc2)c2ccccc2)cc1 586512775 WOCHFVGUHUBBOK-UHFFFAOYSA-N 426.516 5.630 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]([C@](C)(C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 698830430 VMTSGHKLFYNGKC-MWTRTKDXSA-N 449.979 5.621 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Cl)c1Br)NCC 719502757 IUYWARLALXVSQO-HOTGVXAUSA-N 431.802 5.093 30 10 IKEE CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCC1=CC(=O)C2=C(CCCC2)C1=O 888085818 SAISHJPILDBUDU-CCDWMCETSA-N 442.728 8.791 30 10 IKEE O=C(O)c1cccc(N=Cc2cccc(OC(=O)c3sc4ccccc4c3Cl)c2)c1 1084476611 LDBLECFVGACCBX-UHFFFAOYSA-N 435.888 6.223 30 10 IKEE C[P@](=O)(Nc1ccccc1)O[C@H](c1ccccc1)C(F)(F)C(F)(F)OC(F)(F)F 1088749447 OWWRQOUZYINNQG-IZPCHGGPSA-N 445.271 6.444 30 10 IKEE CN(C)c1ccc(/C=C2/SC(=Nc3cccnc3Cl)N(C3CCCCC3)C2=O)cc1 1772736826 ZYLXOQDIHRAKDB-SUYASHRRSA-N 441.000 5.738 30 10 IKEE COc1cccc(/C(C)=C2\SC(=Nc3nnc(C)s3)N(C3CCCCC3)C2=O)c1 1772738926 RBYOCBRVFSWSRA-AHDBMNBVSA-N 428.583 5.182 30 10 IKEE Cc1ccc(-c2cc3ccccc3oc2=NN=C2SCC(=O)N2Cc2ccccc2)cc1 1772743123 XHKGJURAHCWVSZ-UHFFFAOYSA-N 439.540 5.356 30 10 IKEE O=C1/C(=C/c2ccc(O)cc2)SC(=NN=C/C=C\c2ccccc2)N1Cc1ccco1 1772758882 GSIBOBZPACPVGE-PEOYVRBRSA-N 429.501 5.157 30 10 IKEE CCCCCCCCc1ccc(CC[C@@]2(CO)CN[C@H](c3ccc(OC)cc3)O2)cc1 1848434888 YMEALZCJALPJPV-SVBPBHIXSA-N 425.613 5.581 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccc2OCC(=O)c2ccc(C)cc2)c1 1858750931 BFYJTUWNAHJHTJ-UHFFFAOYSA-N 443.547 5.742 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Sc2nc(O)c(C#N)c(-c3ccccc3Cl)n2)cc1 1860827624 WPDICPHVMMQORP-CYBMUJFWSA-N 438.940 5.056 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)[C@H](C)Oc1ccc(Cl)cc1 1861671136 SSXXQBTUGNCTLV-RXVVDRJESA-N 425.013 5.259 30 10 IKEE CCCCCCCCNC(=O)c1ccc2nc(-c3cc(Cl)c(OC)c(Cl)c3)[nH]c2c1 1861873294 HYUVWYBQUCLASS-UHFFFAOYSA-N 448.394 6.636 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862393868 FMTZMLDRVZDOKR-NRFANRHFSA-N 444.358 6.100 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(F)cc1 1862413557 GJHSWNBZGZZLKB-XMSQKQJNSA-N 445.481 6.041 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CC)cc1 1862454547 ZXVQSLWQEJPZLY-OAQYLSRUSA-N 427.928 5.507 30 10 IKEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc(C)c2)cc1 1862475562 PKLUZOIXZSCLPI-CLOONOSVSA-N 441.527 5.652 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC)cc1OCC 1862484960 WZCPYFQNVHUNDV-HSZRJFAPSA-N 437.536 5.171 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1c(F)cccc1Cl 1862506111 WLQNIABPNHXRJX-NRFANRHFSA-N 447.909 6.085 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2c(F)cccc2Cl)cc1 1862518709 QYQMQRXOBHISID-QKKBWIMNSA-N 445.918 5.645 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc2cc[nH]c2c1 1862546301 VCVFEQASRKSVEJ-VOIUYBSRSA-N 428.532 5.424 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(OCCC)cc1 1862550196 FIUSWVYPFJPTNN-DEOSSOPVSA-N 431.532 5.119 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccccc1F 1862590544 KYGHFDRDTUUHPG-JOCHJYFZSA-N 425.500 5.470 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1cccc2ccccc12 1862592648 HNLYIPQYWYFQPV-WQWSHVPRSA-N 441.527 5.702 30 10 IKEE CCOc1cc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CC(C)C)ccc1O 1862656196 YKUXPTJCZHLYES-DEOSSOPVSA-N 445.515 5.178 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862706520 YQSUVTIFXHPPOT-BLVKFPJESA-N 434.319 5.379 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccccc2)cc1 1862713622 SDKNDMOZMDQPTD-HHHXNRCGSA-N 447.534 5.969 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)=C(O)C(=O)N1CCC1=CCCCC1 1862736334 IECRBMUYZYLWHD-HSZRJFAPSA-N 446.503 5.372 30 10 IKEE CCOc1ccc(C2=C(Nc3ccccc3Cl)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862835094 GUWYHGVFYBJQGH-UHFFFAOYSA-N 443.890 5.007 30 10 IKEE CCCCCCCCNC1=C(c2ccc(C)c(C)c2)C(=O)N(Cc2cc(C)ccc2C)C1=O 1863609840 SFUSUJOKHDCMDM-UHFFFAOYSA-N 446.635 6.150 30 10 IKEE C=CCOc1ccccc1OCC(=O)N1CCc2ccc(C(C)C)cc2[C@H]1c1ccccc1 1868119560 UPFCRWBVTZAIKK-GDLZYMKVSA-N 441.571 5.928 30 10 IKEE CCc1nc(Nc2ccc(C#N)cc2)cc(N2CCc3cc(C)ccc3[C@@H]2CC(C)C)n1 1868291131 ILIKZHLEUPYYEJ-DEOSSOPVSA-N 425.580 6.113 30 10 IKEE Cc1ccccc1-c1nc(Nc2cccc(C#N)c2)cc(N2CCc3ccc([N+](=O)[O-])cc32)n1 1868292441 AFZRXQHOYAXTJS-UHFFFAOYSA-N 448.486 5.670 30 10 IKEE C=CCN(CC=C)c1cc(N2CCO[C@H](c3ccc(Cl)cc3)C2)nc(-c2ccccc2)n1 1869207755 JPZIKAVFJZOAJN-QHCPKHFHSA-N 446.982 5.553 30 10 IKEE Cc1cc(Cl)ccc1-n1nnc(C#N)c1NC(=O)c1c(Cl)ccc(Cl)c1Cl 1870154101 LRWVXJTZJBNHEU-UHFFFAOYSA-N 441.105 5.313 30 10 IKEE C#CCOc1cn(CCCCCC)c(CNc2ccc(OCCCCCC)cc2)cc1=O 1871008605 DVPCBRLRKDRMSL-UHFFFAOYSA-N 438.612 6.012 30 10 IKEE CCCCC[C@H](CC)N1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(CC)cc1)C3=O 1871347828 YGMFNGPMPDIYSC-TYGBLEFESA-N 433.592 6.684 30 10 IKEE CC[C@@H](C)N1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(-c2ccccc2)cc1)C3=O 1871351821 BQTOMNXOUMREPD-MGKUZBKYSA-N 425.528 6.229 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccccc1F)O3)CN(CCCCc1ccccc1)CO2 1871354682 XSFPSKWEPHDEJD-XYGWBWBKSA-N 443.518 5.925 30 10 IKEE Cc1cccc(/C=C2\Oc3c(cc4c(c3C)OCN(C35CC6CC(CC(C6)C3)C5)C4)C2=O)c1 1871359067 HMCNQSJRLSEGQF-MRUKODCESA-N 441.571 6.040 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OC(=O)/C=C/c3ccc(C)cc3)ccc2C1=O 1871366931 PXHMWBVTAZJYTM-YQQIJQLDSA-N 426.468 5.629 30 10 IKEE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1OC 1871366977 RLFVSZGVFXROCA-WKRDLGCKSA-N 446.430 5.078 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)CCCOc4ccccc4)cc(C)c3C2=O)cc1 1871371455 QQCWCNNJHKVJFB-UQQQWYQISA-N 442.511 5.938 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc(C)c(C)c3)cc(C)c2C1=O 1871372460 SHFAFJRDCATUEB-OYKKKHCWSA-N 428.484 5.846 30 10 IKEE Cc1cc(OC(=O)c2ccc(Cl)c(Cl)c2)cc2c1C(=O)/C(=C/c1ccncc1)O2 1871372560 YDRPMJQIVHSXGR-OCKHKDLRSA-N 426.255 5.532 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2C)C1=O 1871373928 VSYQWGSOZUOSAN-XKZIYDEJSA-N 429.428 5.355 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)c4cccc(OC(C)=O)c4)ccc3C2=O)cc1 1871390385 TVIYEBSGWABVIX-CFRMEGHHSA-N 428.440 5.010 30 10 IKEE CC(C)N(Cc1ccccc1)Cc1c(O)ccc2c1O/C(=C\c1cccc(Cl)c1)C2=O 1871393734 HHXLZRFSCBXGQD-OYKKKHCWSA-N 433.935 6.072 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OCCCCOc3ccccc3C)c2C)C1=O 1871406247 YQBILBOTKWEYGT-ITYLOYPMSA-N 428.528 6.466 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCCCOc4ccc(C)cc4)ccc3C2=O)cc1OC 1871406708 ULOYZJAYIUQTKW-QQXSKIMKSA-N 446.499 5.476 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(O[C@H](C)C(=O)Nc3cccc(Cl)c3C)ccc2C1=O 1871406777 KTLWOZXMORCRTA-ZKDCOOFMSA-N 447.918 5.979 30 10 IKEE Cc1cc(C)c(COc2cc(C)c3c(c2)O/C(=C\c2cn(C)c4ccccc24)C3=O)cc1C 1871417576 KNGSXERLSUGLGB-WKIKZPBSSA-N 437.539 6.607 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1cc(C)c2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 1871429163 KNYWYHKYWSLADQ-LKTOZELBSA-N 448.559 6.448 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O)Nc1c(F)cccc1F 1871440622 YQUYJGNZPQMBGY-LBFMHVHASA-N 433.410 5.155 30 10 IKEE COc1ccc(C)cc1NC(=O)CCOc1ccc2c(c1C)O/C(=C\c1ccccc1)C2=O 1871446343 JFAFQFSMZCMQLP-JLPGSUDCSA-N 443.499 5.336 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871450710 NPSXJSZXAKIILV-XLFQKYORSA-N 445.515 6.044 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O)Nc1ccccc1 1871459804 FCIWDIXXUNHXCQ-NHDPSOOVSA-N 440.282 5.627 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(C(C)C)cc1)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1871852523 UKPIVLYGEVXGFJ-HYBUGGRVSA-N 442.625 5.349 30 10 IKEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1 1872008070 NCUGKYFWQHPVNG-KRWDZBQOSA-N 449.016 5.232 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1cc(C)ccc1C 1872252403 NJJHPNUBEKHWPT-QHCPKHFHSA-N 442.625 5.376 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)c(Cl)c3)n2)cc1 1872762046 BRUKWKUNRQYUOH-KRWDZBQOSA-N 429.372 6.950 30 10 IKEE N#C[C@@H](C(=O)Cc1ccccc1[N+](=O)[O-])c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872769281 OEMTTYUKAAYNEA-ZDUSSCGKSA-N 432.288 5.444 30 10 IKEE Cc1cc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccc(Cl)cc3)n2)ccc1F 1872771716 AMRLPVDYLIOVHU-SFHVURJKSA-N 428.916 5.947 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(OCC(C)C)c3)n2)c(C)c1C 1872778521 NDOSGGOAGPZQDD-NRFANRHFSA-N 434.561 5.960 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)c3cccc4ccccc34)n2)cc1C(C)C 1872779325 HJTMGCFNXQGTKQ-HSZRJFAPSA-N 440.568 6.894 30 10 IKEE COc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc1 1872779366 IGQZJDVZXXSRKR-QGZVFWFLSA-N 428.460 5.132 30 10 IKEE COc1cc(OC)cc(C(=O)[C@@H](C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)c1 1872784645 WMODZVXAJWGMRF-QGZVFWFLSA-N 442.924 5.288 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@@H](C#N)C(=O)CCCOc2ccccc2C)n1 1872788673 OADUQQRJWCXYQJ-SFHVURJKSA-N 440.952 5.816 30 10 IKEE COc1ccc(OC)c(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)s3)cs2)c1 1872789196 ABLRRWZJOSAQLY-KQIUPUNMSA-N 430.938 5.432 30 10 IKEE CCCCN(CCCC)CC(=O)[C@@H](C#N)c1nc(-c2ccccc2)c(C(=O)OCC)s1 1872798980 BJVURFQNJYOYKA-LJQANCHMSA-N 441.597 5.065 30 10 IKEE CCCCCCCCNC1=C(c2cccc(OC)c2)C(=O)N([C@H](C)c2ccccc2)C1=O 1873047097 AUNHGUGHSGBGLX-HXUWFJFHSA-N 434.580 5.486 30 10 IKEE CCCCCCCCNC1=C(c2ccc(OC)cc2)C(=O)N([C@@H](CC)CCCCC)C1=O 1873143099 VHAREIUWCMFUEV-QFIPXVFZSA-N 442.644 6.084 30 10 IKEE CCOc1cc(/C=N/Nc2oc(Cc3cccc4ccccc34)nc2C#N)ccc1OC 1873463097 ARKCGPCUGWDOKM-JVWAILMASA-N 426.476 5.144 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(F)c(Cl)c1)n2Cc1ccccc1 1873612721 KCDNZPRTQVKONL-UHFFFAOYSA-N 435.890 5.122 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1cccc(C(C)(C)C)c1)n2C 1873620186 YCGZUGAYWXFXDJ-UHFFFAOYSA-N 435.616 6.291 30 10 IKEE CCSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1cccc(C)c1 1874196766 BAWDBSPDXBELHL-NLRVBDNBSA-N 430.577 5.746 30 10 IKEE CCCOc1ccccc1/C=N/n1c(CCCOc2ccc(Cl)cc2)nnc1SC 1874212202 AUZRXTLUIXBYLV-LFVJCYFKSA-N 444.988 5.336 30 10 IKEE CCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(C(F)(F)F)cc1 1874270723 LHZZKUUHJOPAKU-JFLMPSFJSA-N 440.494 6.035 30 10 IKEE CCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874282271 VAYJFHWUXPDKKO-DHRITJCHSA-N 438.906 5.730 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3[N+](=O)[O-])n2/N=C/c2ccccc2)cc1 1874296329 WOUJROUUCPOXLF-PCLIKHOPSA-N 443.532 5.260 30 10 IKEE C=CCSc1nnc(Cc2ccc(OCC)cc2)n1/N=C/c1c(F)cccc1Cl 1874303418 XOKXEPSCKLFMQN-ZVHZXABRSA-N 430.936 5.220 30 10 IKEE Cc1ccc(C)c(CSc2nnc(COCc3ccccc3)n2/N=C/c2ccncc2)c1 1874355734 YWLWJBHVKVKAGH-JFLMPSFJSA-N 443.576 5.181 30 10 IKEE Fc1ccccc1/C=N/n1c(COc2ccccc2)nnc1SCc1ccccc1F 1874384354 LICIICOAHLVLSC-VULFUBBASA-N 436.487 5.310 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1cccnc1 1874440781 SEBVMYPNFISRCG-WYMPLXKRSA-N 434.396 5.743 30 10 IKEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3cc(C)ccc3C)nnc2C2CCCC2)c1 1874451515 BYNCYPFJCQQOJY-CVKSISIWSA-N 447.608 5.474 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCCC3)n2/N=C/c2ccc(N(C)C)cc2)c1 1874455972 TYIDUWVDHGVFGH-WGOQTCKBSA-N 433.625 5.793 30 10 IKEE CCCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccccc1F 1874479398 YSLZTKXHHJIZHK-WYMPLXKRSA-N 437.371 6.241 30 10 IKEE CCOc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2ccccc2)cc1OCC 1874490022 VXIFCPVNSRQUPV-PCLIKHOPSA-N 438.597 5.449 30 10 IKEE CCOc1ccc(/C=N/n2cnnc2SCc2c(F)cccc2Cl)cc1OCC 1874540853 WTGIJHNZZTXQQL-BHGWPJFGSA-N 434.924 5.043 30 10 IKEE CSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1/N=C/c1cccc(Cl)c1 1874542151 MCHSMYJZQMRXQD-ZMOGYAJESA-N 449.407 5.817 30 10 IKEE CCCCOc1ccc(/C=N/n2c(S)nnc2-c2ccccc2Cl)cc1OCC 1874562426 VZXOCJAMOSWMQX-OEAKJJBVSA-N 430.961 5.347 30 10 IKEE COC(=O)c1ccc(COc2ccccc2/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)o1 1874585660 ZEGQMBIKPCEEPY-ZRDIBKRKSA-N 448.515 5.982 30 10 IKEE CCCNC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1cc(Cl)cc(C)c1OC 1874589202 YZIUVYDTQDYEGB-FNORWQNLSA-N 436.335 5.112 30 10 IKEE C=C(C)COc1ccc2ccccc2c1/C=C/C(=O)c1cc(Cl)c(OC)c(Cl)c1 1874590615 OSEJHELHSUZFDK-MDZDMXLPSA-N 427.327 7.006 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC)c2OCc2ccc(Cl)cc2)cc1C 1874591744 ZWEUZKHELMLGJG-JLHYYAGUSA-N 436.935 6.449 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OCc1ccccc1 1874601627 ULZSQBBVSWHWIW-CPNJWEJPSA-N 434.535 7.227 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)ccc1OCc1ccc(F)cc1 1874604201 AITYHTQBAQTROB-KPKJPENVSA-N 436.479 5.717 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)ccc1OCC(=O)Nc1ccccc1C 1874604912 LDTKCQDUBDIRMR-FOWTUZBSSA-N 443.543 5.870 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 1874610452 SWACLFFOFGLZFW-VAWYXSNFSA-N 443.326 6.486 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OCc1cccc(Cl)c1 1874619828 VIDGYYSEUBJSSJ-PKNBQFBNSA-N 436.935 6.531 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OCc1cccc(Cl)c1 1874626416 DRHIMPISXBYUFN-DHZHZOJOSA-N 436.935 6.449 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)ccc1OCC(=O)OCC(C)C 1874633715 QYZZUIJNZNRSNY-SOFGYWHQSA-N 446.927 5.140 30 10 IKEE O=C(Oc1cccc(/C=C/C(=O)c2cccc3ccccc23)c1)c1ccc(Cl)cc1Cl 1874708031 JCBZJBCKVXSTSP-SDNWHVSQSA-N 447.317 7.262 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2cccs2)CSc2nnc(C(F)(F)F)n21 1874920574 PYHOZIXROGIXMG-ZDUSSCGKSA-N 432.537 5.421 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(OC)c1OC(=O)c1cccnc1 1875096061 UTQKWKHTBDKNBW-SDNWHVSQSA-N 449.506 6.087 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1cnc(C)cn1 1875105618 DNMGOTYXTHXVIR-XVNBXDOJSA-N 443.286 5.216 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)ccc1OC(=O)COc1ccccc1 1875109381 LHNWCPHEBCYIJW-JLHYYAGUSA-N 446.499 5.283 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3ccc(C)c(C)c3)c(OC)c2)cc1 1875112928 SPBKLYOCNLARHH-NTUHNPAUSA-N 446.499 5.445 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC(=O)[C@@H](C)c1ccccc1 1875122617 RGBWWHKFUBGCLX-VEMDQMBVSA-N 436.454 5.969 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@H]2C[C@H]2c2ccccc2Cl)c(Cl)c1)c1ccccc1 1875128368 WRCJVNQWCUMUII-VKKDNOAKSA-N 437.322 6.599 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)C(C)(C)C)c(OC)c2)cc1 1875137343 IGYZMHVABBZCHS-MDWZMJQESA-N 426.509 5.340 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)c(F)c3)c([N+](=O)[O-])c2)c1 1875139575 OUHCPVOQPVBZGG-WEVVVXLNSA-N 437.398 5.605 30 10 IKEE Cc1cccc(C)c1OCC(=O)Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1 1875154199 TVABMNKOMDDFOU-OBGWFSINSA-N 436.507 6.337 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(OC)c1OC(=O)c1ccco1 1875154465 GOXGRSWSKDJWES-CCEZHUSRSA-N 438.479 6.285 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)Cc1cccs1 1875158563 BNKCGHNTXQNUAI-KPKJPENVSA-N 436.504 5.669 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)Cc1cccc2ccccc12 1875158595 DJISKSFBQULUDV-OQLLNIDSSA-N 440.470 6.032 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)Cc1ccccc1 1875161953 PBQSHPPZCDSEMQ-DHZHZOJOSA-N 438.426 5.026 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)cc3)c([N+](=O)[O-])c2)cc1C 1875188123 OMCDOEHOKPZBNS-YRNVUSSQSA-N 445.471 5.644 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)CC(C)(C)C 1875190766 OOSZBOHCJOBBMG-UXBLZVDNSA-N 435.347 6.630 30 10 IKEE O=C(Nc1cc(Br)cc(C(F)(F)F)c1)c1cc(F)ccc1C(F)(F)F 1889902955 XPORWRQLYFPHBP-UHFFFAOYSA-N 430.117 5.878 30 10 IKEE CCCN[C@H](CC#CC1CCCCC1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 1915209546 LCSYMAGGWSTJIV-AREMUKBSSA-N 440.672 6.546 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]12CCC[C@@H]1CN(C(=O)OC(C)(C)C)C2 1922078489 XAEFGQLNURRYPX-MVERNJQCSA-N 428.617 5.165 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1cccc2c1CN(C(=O)OC(C)(C)C)C2 1922121746 ZBLKQASAFYINHG-RUZDIDTESA-N 436.596 5.751 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CCC[C@@]2(C#N)N(C(=O)OC(C)(C)C)C2CCCC2)C1 1944457961 JNUOCVHMJKYAPH-PDOGEWKWSA-N 433.593 5.095 30 10 IKEE C[C@@H]1CN(Cc2ccccc2)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1949314808 SMAKVIKVUPTDPD-CLOONOSVSA-N 439.987 5.886 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]1(C)[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1999898887 XRNYCSDRMFREED-GOTSBHOMSA-N 449.979 5.763 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2031999373 HLFJJJFNOPMNSI-SRGWNRLKSA-N 447.551 5.495 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1c(F)cccc1Cl)c1cccs1 2033813034 FAAXOABFNLAJJQ-QGZVFWFLSA-N 433.913 5.381 30 10 IKEE C=CCC1([C@@H](NC)c2ccc(Br)c(Cl)c2)CN(C(=O)OC(C)(C)C)C1 2041561610 BLCNPMRFSIPZDW-INIZCTEOSA-N 429.786 5.176 30 10 IKEE N#Cc1ccc(NCc2cccc(Br)c2Br)c(Br)c1 2092333181 OBWCLOIWWCWXKH-UHFFFAOYSA-N 444.952 5.458 30 10 IKEE C=CCN(CC[C@H](Cc1cccc(C)c1Br)NCC)C(=O)OC(C)(C)C 2099293773 XFXWTAJBCPPXJA-GOSISDBHSA-N 425.411 5.091 30 10 IKEE C=CCC[C@H](C)[C@@H](NC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2102110466 GMTVKXBJOOPIGI-KFKAGJAMSA-N 425.411 5.075 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CCC(Nc3cc(Br)c(C#N)cc3F)CC2)C1 2162307454 ZMZNSWXWZXQZHS-UHFFFAOYSA-N 438.341 5.051 30 10 IKEE Cc1ccc(C(=O)Nc2ccc(C#N)c(Br)c2)cc1NC(=O)OC(C)(C)C 2181143451 IPPJESBUKXJBSH-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE C=CCCCCCCC[C@@H](NC)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2214624612 UVACHSMHFVXVET-RPWUZVMVSA-N 431.665 5.516 30 10 IKEE C=CCN(CC[C@H](NCC)c1ccc(Br)cc1Cl)C(=O)OC(C)(C)C 2222741646 JGYFLILONVXOTG-KRWDZBQOSA-N 431.802 5.566 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)c(Cl)c1 2224083952 ZKROZENUDGTUNO-UHFFFAOYSA-N 445.756 5.125 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)CCCCCCNC(=O)OC(C)(C)C 2235721936 JNMVSVOGGAIUFF-LJQANCHMSA-N 437.422 5.254 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)CC 2235730895 PITCJIJAZROPBH-AHRSYUTCSA-N 437.422 5.108 30 10 IKEE CC[C@H]1CC=C(C(=O)[C@H](Cc2ccc(Br)cc2)NC(=O)OC(C)(C)C)CC1 2237404384 FYUSSGYDIRGYPS-KXBFYZLASA-N 436.390 5.591 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCC[C@]2(C)CNC(=O)OC(C)(C)C)cc1 2258805219 JLZOSSAFJOHBQS-RPBOFIJWSA-N 443.588 5.714 30 10 IKEE C=C(C)CCCC[C@@H](NCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2259161907 QYUAZXGKXQXOLW-SHQCIBLASA-N 444.660 5.945 30 10 IKEE CCCN[C@H](C#CC1CCCC1)c1ccc(I)c(Br)c1 2289692326 WSUBOOLOBXJJOT-QGZVFWFLSA-N 446.170 5.288 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OCC(=O)Nc1ccccc1 2293689743 BSJGUKPVTGKSRA-UHFFFAOYSA-N 437.442 5.277 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](CCC(=O)C#Cc2cccc(Br)c2)C1 2296230531 UWGHKSLJACRNQG-HKUYNNGSSA-N 434.374 5.233 30 10 IKEE CCOC(=O)C(=Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)c1ccccc1 2296657820 YXMGRHSZZFWEFN-UHFFFAOYSA-N 425.278 5.539 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2Cc2cccnc2)cc1 2297741805 TUTRMMMLFJNFFY-HSZRJFAPSA-N 426.516 5.001 30 10 IKEE CC[C@@]1(C)N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2300005699 AFWYBTQSICKMHU-DNQXCXABSA-N 429.561 5.500 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(-c3cccc(Cl)c3)o2)SC1=Nc1nnc(C)s1 2314547969 NOLFXQXHTDVPIV-UHFFFAOYSA-N 442.953 5.550 30 10 IKEE C=CCN(C(=O)C=Cc1ccc(OCc2ccccc2)cc1)[C@@H](C)CCc1ccccc1 2320824467 HZGFDETYKZFTMN-DEOSSOPVSA-N 425.572 6.315 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CC2)cc1OC 2320889496 RXJNUFADTKIWMM-UHFFFAOYSA-N 442.972 5.391 30 10 IKEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2321321311 MMUGEFJLYPORBW-CEYNDMKZSA-N 449.636 5.874 30 10 IKEE Cc1c(OCC(=O)OC(C)(C)C)ccc2c1OC(=Cc1ccccc1Br)C2=O 2321734695 XNTGOILLVFMUHU-UHFFFAOYSA-N 445.309 5.094 30 10 IKEE Cc1ccccc1CSc1nnc(C)n1N=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 2321762221 MVDOMOFTYITBPQ-UHFFFAOYSA-N 433.493 5.238 30 10 IKEE COc1cccc(C=Nn2c(S)nnc2CC(C)C)c1OCc1c(F)cccc1Cl 2321907991 BRPNOFZIFTYWPD-UHFFFAOYSA-N 448.951 5.028 30 10 IKEE CCCCCCCCCOc1ccc(C=Nn2c(S)nnc2C(C)(C)C)cc1OCC 2321908627 TUXFJZNYQBEGMP-UHFFFAOYSA-N 446.661 6.275 30 10 IKEE COc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN([C@@H]2CCCC[C@@H]2C)C4)cc1OC 2322146210 SBCIJSYXTSXHLF-OXJNMPFZSA-N 449.547 5.359 30 10 IKEE COc1ccc(OC)c(C=C2Oc3c4c(cc(C)c3C2=O)OCN([C@@H]2CCCC[C@@H]2C)C4)c1 2322146224 UMJLATCJXAWEOB-HRAATJIYSA-N 449.547 5.359 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(Cl)cc1C=CC(=O)c1cccc(Cl)c1 2322527746 FAZLFZJZZAYSFI-UHFFFAOYSA-N 434.363 5.917 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cccc(OC)c1OCc1ccc(F)cc1 2322926716 NGZGVSGYTFGBPE-UHFFFAOYSA-N 440.898 6.280 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3cc(OC(=O)C=Cc4ccc(F)cc4)ccc3C2=O)cc1 2323044076 MDTRRMXJPSGGFJ-UHFFFAOYSA-N 442.486 6.358 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc1OCc1cccc(C)c1 2323295740 MKZYMCKXZSFVQP-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1 2323370591 UOMKGYCOUWWXPA-UHFFFAOYSA-N 434.875 5.503 30 10 IKEE COC(=O)c1ccc(C=C2Oc3c(ccc(OC(=O)C=Cc4cccs4)c3C)C2=O)cc1 2323530435 HXSYBIZAQSDCSQ-UHFFFAOYSA-N 446.480 5.078 30 10 IKEE Cc1cc(OC(=O)c2ccc(OCC(C)C)cc2)cc2c1C(=O)C(=Cc1ccccc1F)O2 2323635166 LNIPOGCWMKYMAX-UHFFFAOYSA-N 446.474 6.004 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1Cl)NC1CCCCC1 2323720607 NLNFAQVRYDGELP-UHFFFAOYSA-N 433.882 5.342 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1Cl)Nc1ccc(F)cc1 2323720840 KONLCJHECYFTNM-UHFFFAOYSA-N 445.824 5.671 30 10 IKEE CCCOc1ccc(C=NNc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1Cl 2323865141 MFFLKPGDHLWUOB-UHFFFAOYSA-N 431.945 5.716 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(CN4CCCC[C@@H]4C)c(O)cc(C)c3C2=O)cc1 2324011985 SXLILBICLYSEJN-IBGZPJMESA-N 434.580 5.537 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OCC(=O)Nc1ccccc1F 2324196801 GRNVVOAIHBHRSJ-UHFFFAOYSA-N 437.442 5.277 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OCCc1ccccc1 2324234541 GDEYRPVRVNNIKX-UHFFFAOYSA-N 444.571 6.519 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)NC3CCCCC3)c(Cl)c2)cc1C 2324447204 KRRKGKKUFHRPQH-UHFFFAOYSA-N 425.956 5.681 30 10 IKEE Cc1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2cccs2)C3=O)c1C 2324499256 VTMPKXXZJWRNBY-QGZVFWFLSA-N 433.529 5.696 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc4c(c3)OCCO4)n2)cc1 2324545627 JWPMSWXCGAHYAG-HXUWFJFHSA-N 446.528 5.260 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc(OCCC(=O)OCCC(C)C)c2C)C1=O 2325104025 OOLBISCPQVWUDI-UHFFFAOYSA-N 438.520 5.368 30 10 IKEE Cc1cc(OCc2cccc3ccccc23)cc2c1C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)O2 2325272470 BBXYXQYXWICKPM-UHFFFAOYSA-N 437.451 6.252 30 10 IKEE CCCCOc1ccc(C=Nn2cnnc2SCc2ccccc2F)cc1OCC 2325652976 CSMDTDSSDLCFQH-UHFFFAOYSA-N 428.533 5.169 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4cccc(Cl)c4)c3C)C2=O)cc1 2325717021 ABYQMMQWJQZPMR-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE CCc1ccc(CCC(=O)Oc2cc(C=CC(=O)c3ccc(OC)cc3)ccc2OC)cc1 2325718500 KBQSSNOWAYOQLN-UHFFFAOYSA-N 444.527 5.701 30 10 IKEE CCCCc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1 2325719464 DOJNSBICVAZSSP-UHFFFAOYSA-N 445.490 5.802 30 10 IKEE CCCc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccccc3OC)c2)cc1 2325724103 FGRRQYZRIWISRA-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE Cc1cc(C)cc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccc(O)c(O)c2)c1 2326423611 NSBCJLGDTYKIOE-UHFFFAOYSA-N 444.560 5.071 30 10 IKEE CCOc1cc(C=Nn2cnnc2SCc2ccc(Cl)c(Cl)c2)ccc1OC 2326489081 IKIVJDJJBIWZPG-UHFFFAOYSA-N 437.352 5.167 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2cccs2)cc1 2328563398 RGUAJEMVYGCLLK-UHFFFAOYSA-N 448.617 5.812 30 10 IKEE Cc1ccccc1N=CC1=C2NC3=C(C=Nc4ccccc4C)CCC[C@@]3(C#N)C=C2CCC1 2328662914 KEEKIIKFXXIHAJ-PMERELPUSA-N 446.598 7.324 30 10 IKEE CCCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccccc1OC(C)C 2329120740 AHEAWABGYVLOLS-UHFFFAOYSA-N 428.989 5.694 30 10 IKEE Cc1ccc(C=Nn2c(Cc3ccc(C)c(C)c3)nnc2SCc2ccc(C)cc2)cc1 2329383764 OXXJFXPVLGHRNG-UHFFFAOYSA-N 440.616 6.277 30 10 IKEE Fc1ccc(Cc2nnc(SCc3ccccc3Cl)n2N=Cc2ccncc2)cc1 2329844168 YGMYZYUZHYMMGM-UHFFFAOYSA-N 437.931 5.231 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 2330625302 XZPPHZWMLJLCMA-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccnc3)c(Br)c2)cc1 2330747689 LJMSHMSVPXMTNA-UHFFFAOYSA-N 436.305 5.522 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)ccc1OC(=O)[C@@H](C)c1ccccc1 2330944184 TXVSFXPREHEOHF-SFHVURJKSA-N 434.919 6.344 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)cc3)cc2OC)cc1 2330992332 IBJIFOYZDDCVFN-UHFFFAOYSA-N 444.527 5.701 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3OC)c(OC)c2)cc1 2330992365 LDSCJDXRJAVHDB-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)c1c(F)cccc1Cl 2331081462 KGVBKPBMCDESMG-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2[N+](=O)[O-])cc1C 2331146273 PNCIRFRQOILRER-UHFFFAOYSA-N 449.890 5.909 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1ccc(C=CC(=O)c2ccccc2)cc1Cl 2331166089 NCQREHYNSHAJQL-UHFFFAOYSA-N 425.311 6.428 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)cc2)c(C)c1 2331216248 IKJFYROXTIQZKT-DNQXCXABSA-N 430.931 6.562 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2OC)cc(OC)c1OC(=O)c1ccccn1 2331376000 DLKFMQONQAXHDC-UHFFFAOYSA-N 443.499 5.251 30 10 IKEE Cc1ccccc1NC(=O)CSc1nnc(CC(C)C)n1N=Cc1ccc(Cl)cc1 2331443757 QSTOPSRNXGIZNK-UHFFFAOYSA-N 441.988 5.051 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(C(C)(C)C)cc1 2331467650 QDRLSVMPQFDXPP-UHFFFAOYSA-N 441.044 6.602 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(-n4cccc4)cc3)cc2)cc1 2331491925 XLROGLRKOZITLV-UHFFFAOYSA-N 435.523 6.716 30 10 IKEE CCSc1nnc(C2CCC2)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2331508691 OXQGJYXMUUJGPU-UHFFFAOYSA-N 426.973 5.772 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2c(Cl)cccc2Cl)nnc1C1CCC1 2331533362 OHCQYVMLVOSLSG-UHFFFAOYSA-N 431.392 6.335 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OC(=O)COCc3ccccc3)cc2)c1C 2331644374 BMRSZGYWHDXOTR-UHFFFAOYSA-N 428.528 5.939 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)CCCOc2ccccc2)cc1 2331659346 MWOSMQLQYFARRR-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE C=CCNC(=O)c1c(NC(=O)C(=Cc2ccccc2)c2ccccc2)sc2c1CCCC2 2331726560 ZSOKYQDEARQUSG-UHFFFAOYSA-N 442.584 5.722 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)CC(C)(C)C)c([N+](=O)[O-])c1 2331794920 QSSHZFUSQNBAGN-UHFFFAOYSA-N 437.536 6.438 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1[N+](=O)[O-])c1ccccn1 2331860764 KXJWOLDACDZXEA-UHFFFAOYSA-N 443.242 5.412 30 10 IKEE CC#CCN(C[C@H](NCC)c1c(Cl)ccc(Br)c1F)C(=O)OC(C)(C)C 2337916807 VUVOFDXZBVOHHG-HNNXBMFYSA-N 447.776 5.153 30 10 IKEE Cc1ccc(C(=O)C[C@@H]2S/C(=N\c3ccccc3C)N(c3ccccc3C)C2=O)cc1C 15055250 YJCNVFWMEHWJAJ-DEVZUPFRSA-N 442.584 6.329 30 10 IKEE COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccc(OC)c2)C3)cc1 20882772 KSKBAHASPASGNT-UZTOHYMASA-N 426.516 5.683 30 10 IKEE O=C1C[C@@H](c2ccccc2Cl)CC2=C1[C@H](c1ccc([N+](=O)[O-])cc1)Nc1ccccc1N2 21220055 MGZWLRUREAQEOD-LMKMVOKYSA-N 445.906 6.228 30 10 IKEE COc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(C(C)(C)C)cc2)C3)c(OC)c1 21225030 PIRVCFPFUIIGBX-LAUBAEHRSA-N 433.548 5.006 30 10 IKEE COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(OC)c(O)c2)c1 21226379 SKQXGXBLKZHGEP-CLYVBNDRSA-N 442.515 5.389 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(C(C)(C)C)cc2)C3)cc1OC 21258354 PEMKTDXSIIKAJE-FPOVZHCZSA-N 447.575 5.396 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1 35444284 GKCPVUBWGGFHAZ-AVWNRLRGSA-N 443.499 5.247 30 10 IKEE C/C(=N/OCc1ccccc1F)c1cc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)c1C 35843425 ZFSFIYGJCCUBSE-LQNQUEJISA-N 434.461 6.811 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(Cl)cc1 40079376 RSZVTXHBEXFICW-NRFANRHFSA-N 427.928 5.506 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1ccc(OCCC)cc1 40080209 MSVHBNLGVHEIII-QHCPKHFHSA-N 437.536 5.171 30 10 IKEE C=C(C)C(=O)NCCCCCc1nc2ccccc2n1Cc1c(Cl)cccc1Cl 40219746 SUKTWBHBJDPNRX-UHFFFAOYSA-N 430.379 5.797 30 10 IKEE Cc1sc(N/N=C/c2cn(Cc3ccccc3)c3ccccc23)nc1-c1ccc(F)cc1 40570780 ILOQLAVDBOIMTH-RWPZCVJISA-N 440.547 6.707 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OC(=O)c3ccc(C(C)(C)C)cc3)cc(C)c2C1=O 41288661 LOYLNUHKPZBLAE-STZFKDTASA-N 432.541 6.498 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCc4ccc([N+](=O)[O-])cc4)cc(C)c3C2=O)cc1OC 41501586 FQOLPAZAGMFQGE-FMCGGJTJSA-N 447.443 5.116 30 10 IKEE Oc1ccccc1/C=N/c1cc(C(F)(F)F)ccc1Oc1ccc(-c2ccccc2)cc1 59507004 QEVMLFKJHGPSMG-OCSSWDANSA-N 433.429 7.621 30 10 IKEE Brc1ccc(Br)c(/N=C2/N[C@@H](Cc3ccccc3)CS2)c1 63220487 IVRCRGQYDGGMDZ-ZDUSSCGKSA-N 426.177 5.147 30 10 IKEE C=CCOc1ccc2ccccc2c1[C@@H]1Nc2ccccc2C(=O)N1CCc1ccccc1 66133027 DJCITXWYLCYNEH-MUUNZHRXSA-N 434.539 6.214 30 10 IKEE CCCCCCCCOc1ccc(/C=C2\N=C(c3ccc(OCCCC)cc3)OC2=O)cc1 97997900 VRQNXTFIYLKSON-QLYXXIJNSA-N 449.591 6.949 30 10 IKEE CCCCCCCOc1cccc(NCC(=O)Nc2ccccc2OCc2ccccc2)c1 100090061 TVUMNNOUWAEOEO-UHFFFAOYSA-N 446.591 6.665 30 10 IKEE CCCCCCCOc1ccc(NC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1 100157741 JVGPZYNKEXIMRI-UHFFFAOYSA-N 447.575 6.746 30 10 IKEE CCCCCCCOc1ccc(C2=NOC(=O)/C2=C/c2ccc(Br)cc2)cc1 101662584 FDYPIUINGOIYCH-LTGZKZEYSA-N 442.353 6.143 30 10 IKEE CCn1c(S[C@H](C)C(=O)Nc2cccc(C#N)c2)nnc1-c1ccc(C(C)(C)C)cc1 104579576 GTHDURCGXXETKV-MRXNPFEDSA-N 433.581 5.253 30 10 IKEE Cc1cccc(/N=C2/S/C(=C3\Sc4ccccc4N3C)C(=O)N2Cc2ccccc2)c1 107054620 JKAFXXMAVDDEAU-QPRJYHLLSA-N 443.597 6.169 30 10 IKEE C=C(C)CCC[C@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 119043510 HVXLSFNCWWWDPA-ZFBDSDMXSA-N 426.729 8.169 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1cc(OC)c(OC)c(OC)c1 136109070 DUPZLJQTHKQRFC-UHFFFAOYSA-N 449.676 7.912 30 10 IKEE C=C1C[C@]2(CO)CC[C@@H]3[C@@H](CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@H](O)CC[C@]43C)[C@H]2[C@@H](C)[C@@H]1C 141373355 SEMDMGSTKZEUNY-BIQRZTSMSA-N 442.728 6.853 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccc(OC)cc2)cc1 169923389 WKANAPHEUCUIFH-XMMPIXPASA-N 445.490 5.488 30 10 IKEE CCCN1C(=S)N[C@H](c2cc(Cl)c(OCC(C)C)c(Cl)c2)C2=C1CCCC2=O 169930221 DQKMOVOAAZNINH-LJQANCHMSA-N 441.424 5.677 30 10 IKEE CCCOc1c(Cl)cc(/C=N\Nc2nc(-c3cccs3)c(C)s2)cc1Cl 169943314 ANTFASHTDKFVOI-FBHDLOMBSA-N 426.394 6.722 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1c1ccc(C)cc1 169944655 BEMIJFAEWGLSNN-XMMPIXPASA-N 439.467 5.533 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccc(O)cc2)cc1C 169958473 MZEZMAIROWMYDF-QFIPXVFZSA-N 435.426 5.070 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2cccc(C)c2)c1 169971716 VVNBBLQOKUKHTN-JOCHJYFZSA-N 435.426 5.065 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@H]1c1cccs1)c1cccc(Cl)c1 169986191 MKVGLYUFSBKHNB-QFIPXVFZSA-N 445.927 6.338 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2cccnc2)c1 170013157 IOSZWCUMXNXWKU-NRFANRHFSA-N 441.512 5.091 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2ccncc2)c1 170019286 WLEPBYNKCOVMSY-QFIPXVFZSA-N 448.906 5.225 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2ccccc2)=C(N(CC)Cc2ccccc2)C1=O 170041317 OEUUSOOBPMWXJU-UHFFFAOYSA-N 446.635 6.429 30 10 IKEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4ccc(F)c(C)c4)[C@H]3c3ccccc3)nc2c1 170056037 RFKVLQKJKUTXAY-JOCHJYFZSA-N 441.462 5.102 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(F)(F)F)cc3)[C@@H]2c2ccco2)cc1 170095284 MPZYOPVBHQGDNC-HXUWFJFHSA-N 441.405 5.644 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2c(C)[nH]c3ccccc23)cc1 170103927 IVOUBYKRQSMSCZ-DEOSSOPVSA-N 440.499 5.410 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(N(C)C)cc1 170128913 IMOZBGZRRPGFLO-XMMPIXPASA-N 432.564 5.010 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2c2cccc(F)c2)c1 170140074 RTMMAIHPJFCMHD-XMMPIXPASA-N 445.490 5.704 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1cccs1)c1ccc2ccccc2c1 170167062 DRZXPDVZSXHHHM-QHCPKHFHSA-N 443.499 5.819 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccncc1)c1ccc2c(c1)CCCC2 170199600 MIVBRKJKZZIWJK-HSZRJFAPSA-N 446.453 5.022 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)cc(C)c3OC)[C@H]2c2ccccc2)cc1 170224830 OCHXZRPFMXZQTD-HSZRJFAPSA-N 443.499 5.104 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccccc1 170227491 ZAUZYDYYYBGUJS-DEOSSOPVSA-N 443.499 5.265 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccccc2)cc1Cl 170228432 CDGBEMHSXBMRBB-JOCHJYFZSA-N 444.874 5.003 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(Cl)c3)[C@@H]2c2ccccc2)cc1 170228485 VYGOZPHJDCZHIB-NRFANRHFSA-N 449.293 5.648 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccccc1 170230155 AAPOYQCUWPCEGX-OFNKIYASSA-N 433.548 5.050 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2)c(OCC)c1 170231417 JMWMZIKKYWWSKE-XMMPIXPASA-N 449.547 5.395 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(O)c2)cc1C(C)C 170264277 WOQSMEGBCIKAGB-QHCPKHFHSA-N 435.520 5.045 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2C2CCCC2)cc1 170268712 GECVFDDRNHCJGU-XMMPIXPASA-N 431.532 5.095 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2C)c(C)c1 170271049 SKMGEDYVMPWBNG-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccccc2C)cc1 170272476 LQQQAGIHIMVDMI-AREMUKBSSA-N 433.507 6.240 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C(C)C)c3)[C@@H]2c2ccco2)c1 170278720 ARNROUPYTYYWJE-QHCPKHFHSA-N 447.487 5.203 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@H]1c1ccc(C)o1 170301664 DROSWGWUOAAHRG-QHCPKHFHSA-N 445.515 5.613 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2c2ccccc2C)o1 170305539 HWQROUGPDUPRBK-FQEVSTJZSA-N 442.298 5.986 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)c1 170332374 CCWQSTPXGQBXOC-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 170345915 GGWXIACAJVCHOM-XMMPIXPASA-N 441.527 5.776 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(CC)cc2)ccc1OC 170439736 LLUJEVGOZKCLQY-JOCHJYFZSA-N 437.536 5.172 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 170471588 NAIOQSSHGIBVER-VWLOTQADSA-N 433.592 6.112 30 10 IKEE CC(C)[Si](C#Cc1ccc([C@H](O)c2cccc(Br)c2)cc1)(C(C)C)C(C)C 201121000 LRNHVJMOACIKEO-DEOSSOPVSA-N 443.501 7.100 30 10 IKEE N#Cc1ccc(Oc2ccc(Br)cc2Br)cc1Br 228202551 SXWSUTHPSRHOSB-UHFFFAOYSA-N 431.909 5.638 30 10 IKEE Fc1ccccc1COc1ccc2ccccc2c1C=NNC(=S)Nc1ccccc1 254440800 SCTWQVPNWBPYEK-UHFFFAOYSA-N 429.520 5.878 30 10 IKEE COc1cccc(N=c2scc(-c3ccc(Br)cc3)n2N=C2CCCC2)c1 254492948 ZYCIEWJIELWQEZ-UHFFFAOYSA-N 442.382 5.998 30 10 IKEE Cc1ccc(-n2sc(=NC(=Nc3ccccc3)c3ccccc3)nc2-c2ccccc2)cc1 254771609 MMPMPNYEMKILJC-UHFFFAOYSA-N 446.579 6.588 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(/C=C/C(=O)Cc2cc(F)cc(Br)c2)cc1 405941589 UHFWCJTYAXLQKM-RMKNXTFCSA-N 434.305 5.760 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(Cl)cc2)cc1 526518052 XSALJMKOLPJAMR-XMMPIXPASA-N 444.918 6.058 30 10 IKEE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2cccc(C#N)c2)[C@@H]1c1ccc(F)cc1 526519467 BEHNPRRXXCYXOS-HSZRJFAPSA-N 444.462 5.162 30 10 IKEE N#Cc1cccc(NC2=C(Sc3ccccc3)C(=O)N(c3ccc(F)c(Cl)c3)C2=O)c1 526657229 LDXQQVYHARQJIY-UHFFFAOYSA-N 449.894 5.340 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1ccc(OC)c(O)c1Cl 526802137 DTAKYVJAUAAGDR-MSXFZWOLSA-N 448.951 5.302 30 10 IKEE Cc1ccc(CSc2nnc(C)n2/N=C\c2c(Cl)ccc(Cl)c2Cl)cc1 526804048 DBLQQVSYJFLXLA-AFPJDJCSSA-N 425.772 6.030 30 10 IKEE Cc1cc(C)cc(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccc(Cl)cc2)c1 526810646 FCIOTQSWYHHQJI-YUMHPJSZSA-N 447.007 6.314 30 10 IKEE CCc1nnc(SCc2cccc(F)c2)n1/N=C\c1cc(Cl)c(O)c(Cl)c1 526825179 MZGYTUZJZOIVNE-AFPJDJCSSA-N 425.316 5.167 30 10 IKEE Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C=NN=c1sc2ccccc2n1C 606347240 ZVJDBARFNAUSSW-UHFFFAOYSA-N 449.889 5.341 30 10 IKEE CSc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)cc1 698453044 SJWNZRYAWYRNCF-SFHVURJKSA-N 433.371 6.177 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1ccc(C(C)(C)C)s1 698457717 QZLJVDUIECDUIN-MRXNPFEDSA-N 449.414 6.814 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698858042 VPYAVNIDKOHNRX-CPJSRVTESA-N 449.636 6.018 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@]1(C#N)[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C1(C)C 703311549 KUCRNZDMTWYXGB-QZTZHPFYSA-N 435.609 5.197 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C#N)(N(C(=O)OC(C)(C)C)c1cccc(F)c1)C2 709421274 CRDQXHZCQIRNAU-OALUTQOASA-N 445.535 5.391 30 10 IKEE COc1ccccc1CNN=Cc1ccc(OCc2ccccc2)c(Br)c1 1084101523 OOVOBJDAKJQZFE-UHFFFAOYSA-N 425.326 5.160 30 10 IKEE C(=NC1=N[C@H](c2ccco2)[C@H](c2ccco2)S1)c1ccccc1OCc1ccccc1 1084565320 GQZQAMIOMRPPDC-RPWUZVMVSA-N 428.513 6.456 30 10 IKEE C[C@@H](Oc1ccc(/C=C2\SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc1)C(=O)O 1084649718 XDMKMXGMKYAWSP-GQIFPJGSSA-N 444.512 5.347 30 10 IKEE CC(C)(CSc1c(F)cc(F)cc1F)C(=O)NCc1c(F)c(F)c(F)c(F)c1F 1088686704 KQWRUSBOWUOABI-UHFFFAOYSA-N 443.359 5.234 30 10 IKEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CCC[C@@H]1CC 1358880794 SYCJBMVPSQPBPF-BQFCYCMXSA-N 445.405 5.000 30 10 IKEE Cc1cccc(N=C2S/C(=C/C(Cl)=C/c3ccccc3)C(=O)N2c2ccccc2)n1 1772734763 DXKFZXIIQKFURO-SZGZKPIVSA-N 431.948 6.321 30 10 IKEE CC(=C/c1ccccc1)/C=C1/SC(=NN=Cc2cccs2)N(Cc2ccco2)C1=O 1772757777 TWXLBPYDFKOZOC-ZXXSXVNFSA-N 433.558 5.794 30 10 IKEE Cc1ccc2[nH]c3nc(NN=Cc4ccc(OCc5ccccc5Cl)cc4)nnc3c2c1 1772764869 HDKMTJXQIDBJOW-UHFFFAOYSA-N 442.910 5.493 30 10 IKEE COc1cccc(-n2cc(/C=N\NC(=S)Nc3cccc(C)c3)c(-c3ccccc3)n2)c1 1857809778 ZCDJNIMNPRZJEQ-QQXSKIMKSA-N 441.560 5.177 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)/C=C/c1ccc(OC)c(OC)c1 1861068610 PBKZJXYIZSXGFZ-BKELBIJQSA-N 446.632 5.259 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCC)NC(=O)C(C)(C)Oc1ccc(Cl)cc1 1861463555 XXQAEICNDYPKFY-FQEVSTJZSA-N 425.013 5.259 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 1861825307 AQXUZFKXLHCBTQ-JOCHJYFZSA-N 439.984 5.404 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccc(C)cc2)cc1 1862389747 MPTGCAZSKHKXHM-XMMPIXPASA-N 435.564 5.341 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccccc1F 1862412174 YDATZVUUWTUHFH-DYHNYNMBSA-N 429.438 5.261 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(OCCC)cc1 1862418071 FDOJVFHDJVOLGJ-OAQYLSRUSA-N 429.463 5.132 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C(C)C)cc1 1862438622 CROIBVLFEWRYCN-NRFANRHFSA-N 427.928 5.506 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 1862476771 ODLUUOPUISUMHD-HXOBKFHXSA-N 431.919 5.988 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862478069 YDPGEWQOVWHHFO-XMMPIXPASA-N 434.580 5.039 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(N(CC)CC)cc1 1862498183 BWNYCNFDQDKFLX-YADARESESA-N 434.580 5.526 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 1862518466 KJWIXWBYNACSSU-HSZRJFAPSA-N 433.548 5.514 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1cccc(F)c1 1862530613 UMBIHTLYNILMRR-VWNXMTODSA-N 437.555 6.325 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(C(C)C)cc1 1862561262 ROOXKUATDUKMIV-UKILVPOCSA-N 448.607 6.329 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2cccc(Cl)c2)cc1 1862590395 IBDIWYPJCZKFSC-QHCPKHFHSA-N 447.918 5.387 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccccc2C)cc1F 1862638894 MTFVYXTZTDHFNE-HSZRJFAPSA-N 449.453 5.060 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccccc1C 1862722605 VHMSPJZKYDETCH-UQBPGWFLSA-N 425.528 6.039 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(CC)cc2Br)=C(c2ccc(Cl)cc2)C1=O 1863175753 DSDTZCYXUJOEQB-UHFFFAOYSA-N 445.744 5.043 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(Nc2ccccc2C#N)=C(c2cccc3ccccc23)C1=O 1863230478 GLQZZKZORSXRML-HOYKHHGWSA-N 435.527 5.482 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCCCO)=C(c2ccc(F)c(C)c2)C1=O 1863790813 PSNYKWRGRCGRPI-UHFFFAOYSA-N 446.607 5.107 30 10 IKEE CCCC[C@@H](NC(=O)[C@@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866964474 WAVSOCMBPPXAHI-JWQCQUIFSA-N 433.596 5.735 30 10 IKEE N#Cc1ccc(Nc2cc(N3CCc4cc5ccccc5nc43)nc(-c3cccnc3)n2)cc1 1868575826 LFQXIKDAAZLLBC-UHFFFAOYSA-N 441.498 5.396 30 10 IKEE CCCOc1cn(Cc2cccc(C)c2)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870180174 UFSUOSAZOJUMNR-UHFFFAOYSA-N 447.604 5.478 30 10 IKEE CCCCCCCOc1cn(CCCCC)c(CSc2ccc(Cl)cc2)cc1=O 1870251328 CZDGDWFBQBEIGG-UHFFFAOYSA-N 436.061 7.333 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2F)c(CNc2ccc(C)cc2)cc1=O 1870838792 UPJQKBJZAGGMOM-UHFFFAOYSA-N 436.571 6.305 30 10 IKEE C#CCOc1cn(CCc2c[nH]c3ccccc23)c(CNc2ccc(C)c(Cl)c2)cc1=O 1871006366 CJLNLLHVFQXHGJ-UHFFFAOYSA-N 445.950 5.158 30 10 IKEE Cn1cc(CCN2COc3ccc4c(c3C2)O/C(=C\c2ccccc2)C4=O)c2ccccc21 1871345030 OOPRBRUTECEMAE-YSMPRRRNSA-N 436.511 5.189 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O3)CN([C@@H]1CCCC[C@@H]1C)CO2 1871351063 ISTDPIDYWOJCAF-WDLFRFSBSA-N 434.492 5.250 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3cc(OC(=O)CCc4ccc(Cl)cc4)ccc3C2=O)cc1 1871368623 KUKFBWYJXSXFTC-MYYYXRDXSA-N 446.930 6.618 30 10 IKEE O=C1/C(=C/c2c(F)cccc2Cl)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc21 1871371305 SGBKHEZFGIMPQR-JAIQZWGSSA-N 439.782 5.223 30 10 IKEE COC(=O)c1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccccc4)cc(C)c3C2=O)cc1 1871385223 HODXIIITQHEUMN-BESOIZRISA-N 440.451 5.017 30 10 IKEE O=C1/C(=C/c2ccccc2)Oc2c1ccc(O)c2CN(C1CCCCC1)C1CCCCC1 1871392887 ACAYKTLDNILUCS-ITYLOYPMSA-N 431.576 6.476 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4)ccc3C2=O)cc1 1871406576 TVJVWPVBORXIDC-AOBKZXEFSA-N 427.500 5.832 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2cccc(F)c2)C3=O)c(C)c1 1871418832 PWYCUCTYVVVRKJ-QRVIBDJDSA-N 431.463 5.385 30 10 IKEE CCCCCCCCCCOC(=O)COc1ccc2cc(-c3ccccn3)c(=O)oc2c1 1871427089 NCCGEADZCKHPDG-UHFFFAOYSA-N 437.536 5.918 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccccc1F)C2=O 1871431863 ZPRBFAFFCAELRP-PVFDWLMNSA-N 445.490 5.773 30 10 IKEE Cc1c(OCc2ccccc2C#N)ccc2c1O/C(=C\c1ccccc1Br)C2=O 1871437234 NONNKTYMBUOCGC-UUYOSTAYSA-N 446.300 5.824 30 10 IKEE N#Cc1ccccc1COc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 1871437371 UMRVCKWYIZJCLP-NTFVMDSBSA-N 429.475 6.420 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OCC(=O)NCc3ccccc3Cl)ccc2C1=O 1871448749 YPBQZVBYCNLKLB-JAIQZWGSSA-N 439.920 5.021 30 10 IKEE COc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2)C3=O)cc1Cl 1871453096 GMPNEWTYLGNWMV-JJFYIABZSA-N 449.890 5.291 30 10 IKEE Cc1cccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)c1C 1871459686 XQQNJPWXEUEWPT-FMCGGJTJSA-N 447.918 5.899 30 10 IKEE CCCCCCCCN=c1nc(N2C[C@@H](C)C[C@@H](C)C2)[nH]c(=Nc2cccc(Cl)c2)[nH]1 1871648047 WMBQQFNBAPCTSH-KDURUIRLSA-N 445.055 5.367 30 10 IKEE C=C(C)CN([C@@H](CC)C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)S(=O)(=O)CCCC 1872327679 RXDQDBJKANOWDY-QHCPKHFHSA-N 436.662 5.659 30 10 IKEE CCCc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 1872760549 RDFCJTABQHQLCS-HSZRJFAPSA-N 426.541 6.171 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@H](C#N)C(=O)[C@H](C)Oc2ccc(Cl)cc2)n1 1872780461 IVVPVKKMOFPJQX-HNAYVOBHSA-N 440.952 5.733 30 10 IKEE C=CCc1ccccc1OCc1cccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)c1 1872834453 XIVQZAITWUZINX-UHFFFAOYSA-N 437.923 5.917 30 10 IKEE C=CCSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1ccc(OC)cc1 1874226560 QIPKTMVPTZRXKM-KOEQRZSOSA-N 436.581 5.075 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3Cl)n2/N=C/c2ccccc2)cc1 1874276067 UFQSKTBYLULHMH-WPWMEQJKSA-N 447.007 6.200 30 10 IKEE C=CCSc1nnc(COc2c(C)cccc2C)n1/N=C/c1ccc(C(F)(F)F)cc1 1874300686 YLVAMSTZMRZDFU-LGJNPRDNSA-N 446.498 5.653 30 10 IKEE Oc1ccc(/C=N/n2c(CCCOc3ccccc3)nnc2SCc2ccccc2)cc1 1874316050 YTICYQYIRWRBLW-NLRVBDNBSA-N 444.560 5.170 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccccc3Cl)n2/N=C/c2cccc(O)c2)cc1 1874365030 HQAWNHKHJKGEIS-AFUMVMLFSA-N 434.952 5.787 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SCCC)cc1 1874376810 PNMSDVPXPURSJU-NLRVBDNBSA-N 440.588 5.961 30 10 IKEE CC(C)(C)Cc1nnc(SCCc2ccccc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874439849 WDOBYUDQNBCWCS-MFKUBSTISA-N 447.435 6.391 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccccn1 1874440569 IQYAQXYETQGBCK-WYMPLXKRSA-N 434.396 5.743 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCCc3ccccc3)nnc2C2CCCC2)cc1 1874455604 ARTJBHINWPMXMM-NHFJDJAPSA-N 447.652 5.999 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(C2CCCC2)n1/N=C/c1cccnc1 1874456730 HNBXYGWSOBHTEL-WYMPLXKRSA-N 432.380 5.812 30 10 IKEE C=C(C)CSc1nnc(CCCC)n1/N=C/c1ccc(OCc2ccc(C)cc2)cc1 1874476594 RIECTNPEOAFGDU-WGOQTCKBSA-N 434.609 6.059 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(F)cc1F 1874479234 PUEAJSONTGJINF-JFLMPSFJSA-N 436.531 6.227 30 10 IKEE CC(C)Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1cccc(Cl)c1 1874487477 BKNXVEVWCHVCQS-WSDLNYQXSA-N 429.933 5.213 30 10 IKEE Fc1cccc(Cl)c1/C=N/n1c(SCc2cccc(Cl)c2)nnc1C1CCC1 1874497217 AOAJAMUVHXUPMR-BHGWPJFGSA-N 435.355 6.166 30 10 IKEE CC(C)c1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1ccc(Cl)cc1Cl 1874509268 UMLVFFFWEVUNQO-FOKLQQMPSA-N 448.379 5.321 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc(OC)c(OC)c1 1874510836 XVIDKSMLEIHECK-YDZHTSKRSA-N 430.961 5.076 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2c(OCCc3ccccc3)ccc3ccccc23)cc1 1874581696 BDGMRTMFKYALPJ-VHEBQXMUSA-N 434.579 7.655 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)c1 1874596856 GUCWNFBWNMZPLN-FMIVXFBMSA-N 445.515 5.234 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3c(F)cccc3Cl)c(Cl)c2)cc1C 1874607012 REMDWZSAIHJKCX-RMKNXTFCSA-N 445.317 6.925 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3ccc(F)cc3)c(OC)c2)cc1F 1874621570 JJHABVFURILEOX-UXBLZVDNSA-N 440.442 5.466 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@@H](C)Oc3ccc(Cl)cc3)c2)cc1 1874694442 CRFIERADONJSHV-QJKHOBJASA-N 434.919 6.171 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1OC(=O)c1ccccc1F 1874710406 ASJCLOUCORQLMW-PKNBQFBNSA-N 434.463 5.575 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](C)CSc2nnc(CCCOc3ccccc3C)n21 1875064245 YDEXMEGKBBOLIB-FQEVSTJZSA-N 444.645 5.308 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(Cl)c1OC(=O)C(C)(C)C 1875097239 AYKVMEJRWKEIKU-JLHYYAGUSA-N 440.967 6.465 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)ccc1OC(=O)[C@@H](C)c1ccccc1 1875109475 PIUSKZWOQLRMMD-IXDOJHRFSA-N 444.527 6.008 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)CCc1ccccc1 1875136201 CGJCSBXFDQEUQO-GHRIWEEISA-N 440.539 6.166 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc4ccccc34)cc2OC)cc1 1875154493 HTVDUOGTBXLGNA-MHWRWJLKSA-N 438.479 5.972 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OC(=O)c1ccccc1Cl 1875154761 VASITWDLFRLOMR-FYWRMAATSA-N 442.898 6.617 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)ccc1OC(=O)Cc1ccccc1 1875189739 FJGHIUXTQPWEMB-ACCUITESSA-N 444.527 5.755 30 10 IKEE N#C[C@]1([C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCC(F)(F)C1 1875631641 ABSZRLQBTPKUDL-FTJBHMTQSA-N 449.497 6.207 30 10 IKEE CC(C)N(C(=O)OC(C)(C)C)[C@@H](C#N)c1sc(Cl)cc1I 1889588533 FEOBVUCQYMSUGV-JTQLQIEISA-N 440.734 5.216 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C 1922079320 DWRXETJRQKPNLH-PKTZIBPZSA-N 432.649 5.799 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)[C@H]2CCC[C@@H]21 1926556875 ZKLGTEMSBCNFGY-BSRJHKFKSA-N 447.601 5.167 30 10 IKEE CC(C)(C(=O)O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1C#N 1951906131 PPUUWMCRPBEBHI-DEOSSOPVSA-N 440.499 5.249 30 10 IKEE CN(C(=O)OC(C)(C)C)C1([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)CC1 1978444665 ZBWVVLZNRXXQEY-QGZVFWFLSA-N 435.952 5.373 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@H](C#N)[C@H]1CCCCN1C(=O)OC(C)(C)C 1991948696 BTOWVTOFOAXOPM-QZTJIDSGSA-N 435.590 5.167 30 10 IKEE C=CCC1(Nc2ncc(Br)cc2Cl)CCN(C(=O)OC(C)(C)C)CC1 2044004693 VQIKKKKETUBNFE-UHFFFAOYSA-N 430.774 5.255 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@H]3C[C@H]2C[C@H]3NC(=O)OC(C)(C)C)cc1 2046020943 YBUDTMGADNFLID-MHDHIAOQSA-N 441.572 5.322 30 10 IKEE Cc1ccc([C@H](n2nc(C(F)F)c(C#N)c2I)C2(C)CC2)cc1F 2079015747 ZOKMHVJNAFDICB-AWEZNQCLSA-N 445.226 5.134 30 10 IKEE CCCc1ccc([C@@H](C2CC2)n2nc(C3CC3)c(C#N)c2I)cc1 2079857251 ZDBAOXYQJVDWLP-IBGZPJMESA-N 431.321 5.189 30 10 IKEE COc1ccc([C@@H](n2nc(C(C)(C)C)c(C=NO)c2Br)C2(C)CC2)c(C)c1 2079928116 BDLSXICBLRIQRD-GOSISDBHSA-N 434.378 5.458 30 10 IKEE CC1(c2nn([C@@H](c3ccc(C(F)(F)F)c(F)c3)C(C)(C)C)c(Cl)c2C=NO)CC1 2080012967 WQXKLCSXHYMKGX-INIZCTEOSA-N 431.861 6.190 30 10 IKEE N#Cc1c(C2CCCCC2)nn(Cc2ccccc2I)c1Cl 2080389726 HTJLTIFKPMBAOD-UHFFFAOYSA-N 425.701 5.109 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CN(Cc2ccccc2)C2(CCCC2)C1 2100066117 DSIVGGONTDWLNG-MUUNZHRXSA-N 445.607 6.218 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCC)c2cc(Cl)cc(Br)c2)C1 2136653675 QNVIWWDNUWZUCL-QGZVFWFLSA-N 443.813 5.614 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](CNc2cc(Br)c(C#N)cc2F)CC1(C)C 2172452997 GPKCZTBMWYSNSL-CYBMUJFWSA-N 440.357 5.297 30 10 IKEE C=CC[C@](C)(CO)N(Cc1cccs1)C(=O)OCC1c2ccccc2-c2ccccc21 2209683091 GMQVGOBBSBSTTN-AREMUKBSSA-N 433.573 5.826 30 10 IKEE CC#C[C@H](NCCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2218403527 QRIBATLILSXSQR-LSYYVWMOSA-N 429.560 5.270 30 10 IKEE C=C(C)C[C@@H](NCCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229122298 FKIBBFOVTRLCPW-MOPGFXCFSA-N 425.411 5.219 30 10 IKEE C[C@@H](c1cccs1)N(Cc1ccccc1)c1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2254792223 JHKHZCFSXWLFQN-KRWDZBQOSA-N 438.377 5.349 30 10 IKEE Cc1cc(NC(=O)OC(C)(C)C)cc(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)c1 2255539593 BCUVHCGZOSROJK-UHFFFAOYSA-N 430.354 5.297 30 10 IKEE N#Cc1ccc(Oc2cc(I)ccc2Cl)cc1Br 2259915600 VAWBZGXLDHYJNU-UHFFFAOYSA-N 434.458 5.371 30 10 IKEE C=CCCC1([C@H](NCC)c2cc(Br)ccc2F)CN(C(=O)OC(C)(C)C)C1 2281039551 DHWLDPOXAVTHQD-GOSISDBHSA-N 441.385 5.442 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(OCCNc2c(Br)cccc2C#N)cc1 2285242072 ONPDMZNFEICZDO-UHFFFAOYSA-N 432.318 5.159 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)C(C)(C)N(CC)C(=O)OC(C)(C)C 2296218754 HQAYVMYGPBOBKN-IBGZPJMESA-N 437.422 5.204 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]12CCC[C@H](CN(C(=O)OC(C)(C)C)C1)C2 2311434115 AOWIBFWTLOKGMT-DPZBCOQUSA-N 442.644 5.555 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(Br)cc2)C3=O)cc1 2314437864 YSJXWTNPJZHNRN-UHFFFAOYSA-N 435.273 5.593 30 10 IKEE CC[C@]1(C)N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(C)cc1 2315231152 KHPACZINXCVBRU-LOSJGSFVSA-N 443.588 5.808 30 10 IKEE CCCOc1c(Cl)cc(C=Nn2cnnc2SCc2ccc(C)cc2)cc1Cl 2318573986 CRCNCGDJMBRLCP-UHFFFAOYSA-N 435.380 5.857 30 10 IKEE CCc1nnc(SCc2ccccc2C)n1N=Cc1cccc(OCc2ccccc2)c1 2320940713 DSBRLAIOYUNSGR-UHFFFAOYSA-N 442.588 5.902 30 10 IKEE CCn1cc(C=C2Oc3cc(OCc4cccc(F)c4)cc(C)c3C2=O)c2ccccc21 2321888566 SWYHOHPMBRMKCD-UHFFFAOYSA-N 427.475 6.304 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(Cl)cc1)O3)CN(Cc1ccccc1F)CO2 2322056913 NDUMVPHEJKHBAU-UHFFFAOYSA-N 435.882 5.756 30 10 IKEE COc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN([C@H]2CCCC[C@@H]2C)C4)cc1OC 2322146209 SBCIJSYXTSXHLF-JXFKEZNVSA-N 449.547 5.359 30 10 IKEE O=C1C(=Cc2c(F)cccc2Cl)Oc2c1ccc1c2CN(CCCc2ccccc2)CO1 2322214410 FKUMVQSNDRVTJP-UHFFFAOYSA-N 449.909 5.880 30 10 IKEE CCOc1ccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3ccccc3F)C4)C2=O)cc1 2322350317 ALSRLTWAMSYELP-UHFFFAOYSA-N 445.490 5.501 30 10 IKEE Cc1ccc(C)c(CN2COc3c(cc4c(c3C)OC(=Cc3ccc(F)cc3)C4=O)C2)c1 2322412991 RBDBZHRFRDZJDQ-UHFFFAOYSA-N 429.491 5.719 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCc2ccc(Cl)cc2)cc1 2322455524 YKVUYENQZDDMCC-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE Cc1ccc(COc2ccc(Cl)cc2C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1 2322585807 AHUUGEFHCKYBDT-UHFFFAOYSA-N 431.746 7.430 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2c(OCC(=O)Nc3ccccc3)ccc3ccccc23)cc1 2322731548 ZWUYTALOATVILQ-UHFFFAOYSA-N 449.550 6.877 30 10 IKEE COc1ccc(CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(C)c2)C3=O)cc1OC 2323378803 YAWVOLXSNKZYHI-UHFFFAOYSA-N 444.483 5.085 30 10 IKEE Cc1cc(OC(=O)Cc2ccccc2[N+](=O)[O-])cc2c1C(=O)C(=Cc1cccc(Cl)c1)O2 2323387483 AQNVFZIFJHPVSO-UHFFFAOYSA-N 449.846 5.321 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)cc2)cc(OC)c1OCc1ccc(C)cc1 2323647819 VUWNTCWOZUMHIS-UHFFFAOYSA-N 428.528 6.216 30 10 IKEE Cc1cc(OC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1ccncc1)O2 2323710434 OGHJZKNSSIDLDC-UHFFFAOYSA-N 449.890 5.423 30 10 IKEE C[C@@H]1CCCN(Cc2c(O)ccc3c2OC(=Cc2ccccc2Br)C3=O)C1 2324066404 GFKKVCWAPQNMEM-CQSZACIVSA-N 428.326 5.003 30 10 IKEE O=C(C=Cc1ccc(OCCc2ccccc2)c(Br)c1)c1ccc(F)cc1 2324187079 NMNDVXBMLGIFSH-UHFFFAOYSA-N 425.297 6.106 30 10 IKEE Cc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)OC(=Cc1cccc(Cl)c1)C2=O 2324407156 KUNHLJCDEBYJTJ-QGZVFWFLSA-N 447.918 5.979 30 10 IKEE C=CCOc1ccc(C=CC(=O)c2cc(Cl)c(OC)cc2OC)cc1Br 2324426143 VFQVNFXTQXQTMT-UHFFFAOYSA-N 437.717 5.581 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCCCCOc3cccc(C)c3)ccc2C1=O 2324567961 QFLRWJWCIFPSKK-UHFFFAOYSA-N 444.527 6.248 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O 2325141801 VKLGYLUYKFCHRW-KRWDZBQOSA-N 431.463 5.465 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1N=Cc1cccc(OC)c1OCC 2325559044 VIIVGKVTDOLJCG-UHFFFAOYSA-N 444.988 5.466 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(OC)cc1OC 2325565380 NEXRLDPTRHDMBU-UHFFFAOYSA-N 430.961 5.076 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(OC(=O)C3CCC3)c(OC)cc2Br)c1 2325707324 VZTLXTJUWJCOEW-UHFFFAOYSA-N 445.309 5.068 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(Cl)cc4C)ccc3C2=O)cc1 2325716226 HJTDLGYEEPWIIL-UHFFFAOYSA-N 447.918 5.845 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccccc3Cl)ccc2C1=O 2325717660 JXGPVSZXDSIPHS-UHFFFAOYSA-N 449.890 5.372 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3c(c2)OC(=Cc2cn(C)c4ccccc24)C3=O)c1 2325727125 DROKWQOJLNSSET-UHFFFAOYSA-N 438.483 5.120 30 10 IKEE COc1cc(C(=O)C=Cc2cccc(OC(=O)Cc3ccccc3)c2)c(OC)cc1Cl 2325758979 IZAXRUKAFSSMQS-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE CCCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc2c(c1)OCCO2 2327771937 JVZMYYPGYXJMHO-UHFFFAOYSA-N 444.560 5.178 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccc(C)cc3)n2N=Cc2ccccn2)CC1 2328106885 PVIFZFDCLQIKTQ-UHFFFAOYSA-N 447.652 6.620 30 10 IKEE C=C(C)CSc1nnc(COc2cccc(C)c2C)n1N=Cc1cn(C)c2ccccc12 2328846736 ANXFGNWKJPHTEA-UHFFFAOYSA-N 445.592 5.516 30 10 IKEE CCCCOc1ccc(C=Nn2c(COc3ccccc3)nnc2SCC)cc1OC 2329904085 CQRLJUAKVDSRBK-UHFFFAOYSA-N 440.569 5.039 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)cc2)n1N=Cc1ccc(OCCCCC)cc1 2329986302 GLNSWWCHEVYZCC-UHFFFAOYSA-N 448.636 6.297 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(CC2CCCCC2)n1N=Cc1ccco1 2330277774 YVJSVYFKESDTTI-UHFFFAOYSA-N 449.407 6.475 30 10 IKEE CSc1nnc(Cc2ccccc2)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2330449044 WCGRUAZBUXKJGI-UHFFFAOYSA-N 448.979 5.705 30 10 IKEE C=C(C)CSc1nnc(Cc2ccccc2)n1N=Cc1cccc(OC)c1OCCC 2330491526 YIDCJIZBDISHPK-UHFFFAOYSA-N 436.581 5.217 30 10 IKEE COCCC(=O)Oc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1Br 2330664194 RAZGEVREFIXPOZ-UHFFFAOYSA-N 439.305 5.440 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3c(F)cccc3Cl)cc2)cc1 2330825708 SARCPEWZAHJQBU-UHFFFAOYSA-N 436.910 6.937 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3ccco3)c(OC)c2)cc1C 2330852040 FAAHZHTUXVKHNE-UHFFFAOYSA-N 426.852 5.374 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2OC)cc1 2331046914 BBMTWTLDJRECAZ-UHFFFAOYSA-N 447.443 5.117 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3F)cc2OC)cc1 2331106212 BSYFTLBXNFKCRK-UHFFFAOYSA-N 438.426 5.487 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(SCc2ccccc2F)nnc1C(F)(F)F 2331138071 IFKPURBAVQCOGE-UHFFFAOYSA-N 438.450 5.398 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccncc2)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 2331245424 KMXVEWAKYZOXPS-UHFFFAOYSA-N 443.242 5.412 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC(=O)c1cccnc1 2331412967 XQZWGFLCDHTEDO-UHFFFAOYSA-N 445.515 5.512 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1cccc(F)c1 2331565669 JFWFCPZONJGTMV-UHFFFAOYSA-N 426.390 5.618 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2C(C)C)cc1 2331688067 YSLLFTOVXLANFZ-UHFFFAOYSA-N 440.588 6.284 30 10 IKEE CCN[C@@H](C#C[C@@H]1CC1(F)F)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2341007047 UFKDIFDJASTHDD-HIFRSBDPSA-N 429.305 5.105 30 10 IKEE Cc1cc(Cl)ccc1OCc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1 2377303808 ITGIPILOHNBGQB-UHFFFAOYSA-N 437.570 5.289 30 10 IKEE CCOc1ccc2oc(C)c(C(=O)Oc3ccc4c(c3)O/C(=C/c3cccs3)C4=O)c2c1 2428909 PDVMNHZCDQBURL-LPYMAVHISA-N 446.480 6.037 30 10 IKEE CC(=O)Oc1ccc(-c2ccc(/C=N/c3ccc4c(c3)nc(C)n4-c3ccccc3)cc2)cc1 13284112 KDBLRYRHQDNAKV-NDZAJKAJSA-N 445.522 6.677 30 10 IKEE O=[N+]([O-])c1cc(/C=N/Nc2nnc(-c3ccccc3)c(-c3ccccc3)n2)ccc1Cl 15018407 KCRYFDIOJUZPOL-ZVHZXABRSA-N 430.855 5.213 30 10 IKEE COc1ccccc1[C@H]1N=C(Nc2nc3ccccc3s2)NC2=C1C(=O)CC(C)(C)C2 17098058 FXZWWCPCMUHVRX-OAQYLSRUSA-N 432.549 5.061 30 10 IKEE CN(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2c[nH]c3ccccc23)cc1 21237243 BFSJUFMRJCBSSW-XBBWARJSSA-N 448.570 6.213 30 10 IKEE Cc1ccc2c(c1)/C(=N/Nc1nc(-c3ccc(Cl)cc3)cs1)C[C@H](c1ccccc1)O2 22172327 BQQIHSWUTSRNBS-KBSPPKGDSA-N 445.975 7.112 30 10 IKEE C/C(=N\Nc1nc(-c2ccc(Cl)cc2)cs1)c1cc2c(ccc3ccccc32)oc1=O 27520373 PBQWFUJNUPEGTJ-MZJWZYIUSA-N 445.931 6.559 30 10 IKEE C=CCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cccc(C)c2)c1 39879845 LRWDTJSOKBGQSS-RUZDIDTESA-N 437.495 5.724 30 10 IKEE CCc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccccc2OC)C4)cc1 41648165 LTTCJQBIXRFFIE-QFEZKATASA-N 441.527 5.534 30 10 IKEE C=C(C)COc1ccc(NC(=O)CNc2ccc(NC(=O)CCc3ccccc3)cc2)cc1 66093674 FTUZPQKGVRGNGR-UHFFFAOYSA-N 443.547 5.263 30 10 IKEE CCOc1ccc(/C=C2\SC/C(=C/c3ccc(OCC)c(OC)c3)C2=O)cc1OC 96448687 IHNGRUIGEDESGY-HRZWGHRESA-N 426.534 5.242 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)CNc1cccc(C(=O)N(C)C)c1 100106516 RXPFXIDCLSPKJJ-UHFFFAOYSA-N 445.692 6.398 30 10 IKEE CCCCCCCCCCCCCCCCNCc1ccc(OCCCC)c(OC)c1 100125311 JZCLQEGDYWTDMN-UHFFFAOYSA-N 433.721 8.445 30 10 IKEE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)S/C1=N/c1cccc2ccccc12 101085436 DNQJLWYYAYBTHZ-RTGZZVAKSA-N 433.508 5.125 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)S/C1=N/c1nnc(C)s1 101131323 YJDAFLYJXNSTMU-OZZFTROTSA-N 430.942 5.384 30 10 IKEE CCCCCCCCC(=O)N1CCC(N2CCC(C(=O)Nc3ccc(F)cc3)CC2)CC1 102995920 YWTMFXBDYNAXJW-UHFFFAOYSA-N 445.623 5.218 30 10 IKEE Cc1ccsc1/C=C1/Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2C1=O 103018662 XKAPBHMAWFSKNQ-WOJGMQOQSA-N 441.302 5.654 30 10 IKEE CCCCCCCC/C=C/CCCCCCCCOCCOCCOCCOCCO 164877787 ZNVICELHBCNKIF-MDZDMXLPSA-N 444.697 6.083 30 10 IKEE CCCCCCCCCOc1ccc(/C=C2\CN(Cc3ccccc3)CCC2=O)cc1OC 169939975 VACNFWSKZMKTCY-LHLOQNFPSA-N 449.635 6.683 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccc(O)cc2)cc1C 169959047 TWKSZFQFHJCSJG-DEOSSOPVSA-N 443.499 5.109 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccc(O)cc2)cc1 169959465 IIEXKKQAHGDBMH-AREMUKBSSA-N 449.506 5.891 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccc(O)cc2)c1 169960560 IMMLOYDMJSOSGC-SANMLTNESA-N 449.506 5.945 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2cccc(C)c2)c(C)c1 169969632 PTWXALUVZOZOCH-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccs1 169987026 GMEQWADCDKNQQE-LJQANCHMSA-N 444.339 6.146 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccccc2C)cc1 170029968 XSUAQXYBDWVCJO-DEOSSOPVSA-N 445.490 5.624 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccccc2)c1 170036561 QHBMSZKHKGVWCO-VWLOTQADSA-N 427.500 5.187 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@H]1c1ccccc1)c1ccc(F)cc1 170050455 DUEDXUZWHWMWJE-FQEVSTJZSA-N 425.818 5.401 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccc(F)cc2)c1 170061508 OLTOWXIEETUYSY-VWLOTQADSA-N 429.491 5.544 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccccn2)cc1 170067479 SIUJXTYIDIQXLY-QHCPKHFHSA-N 430.479 5.123 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1ccc(OC(C)C)cc1 170152273 JXTWEPAFLMJRRQ-HSZRJFAPSA-N 437.536 5.249 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@H]1c1cccnc1 170185146 WTBQVTMJZQFYGU-QHCPKHFHSA-N 442.515 5.107 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2cccnc2)c1 170188416 SVLTZXCOFXGTEE-JOCHJYFZSA-N 448.906 5.305 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccncc2)c(C)c1 170205484 BZDKPUMMVAFXHR-VWLOTQADSA-N 438.527 5.360 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2cccc(OCC)c2)cc1C 170218152 UPAZVMCGCCSRIW-HSZRJFAPSA-N 437.536 5.171 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1ccccc1)c1ccc2ccccc2c1 170229620 LSZFTUWYJGSJTH-DEOSSOPVSA-N 441.433 5.901 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccc(F)cc2)c1 170238767 MJTNZERORAQLLV-QHCPKHFHSA-N 426.447 5.398 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cccc(C)c2)cc1 170342057 JJSBWNDTOXLHMI-QHCPKHFHSA-N 430.504 5.217 30 10 IKEE COc1cccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(OC(F)(F)F)cc2)c1 170429606 PXDDPQOAFVOKLA-HXUWFJFHSA-N 449.425 5.109 30 10 IKEE Cc1ccc(Cn2cccc2C=NNC(=S)Nc2ccc(Oc3ccccc3)cc2)cc1 254745792 OWRXFAMGCNKZHU-UHFFFAOYSA-N 440.572 5.958 30 10 IKEE Cc1ccc(N2C(=O)C[C@H](Sc3nc(C(C)(C)C)cc(C(F)(F)F)c3C#N)C2=O)cc1 261526538 AAOXEVPNWFSATE-INIZCTEOSA-N 447.482 5.002 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1Br)NCCC 406770601 XVNJLDMVASUIIL-RBUKOAKNSA-N 425.411 5.219 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@H]2c2ccc([N+](=O)[O-])s2)c1 526516157 NIOYHXMQKGKCKI-LJQANCHMSA-N 437.864 5.239 30 10 IKEE CCCCOc1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526516503 NYNYNNQVBMKCDG-VWLOTQADSA-N 442.490 5.933 30 10 IKEE CCOc1cc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccs2)ccc1OC 526603575 FTCCVPKNSTXMOK-JOCHJYFZSA-N 432.501 5.084 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2c[nH]c3ccccc23)c1 526606176 IBQZHIANXCYIGP-VWLOTQADSA-N 435.483 5.495 30 10 IKEE Cc1ccc(NC2=C(Sc3ccc(Cl)cc3)C(=O)N(c3ccccc3C#N)C2=O)cc1 526642396 LHOIUHVDBOHBJE-UHFFFAOYSA-N 445.931 5.509 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Br)cc2)c1 526707222 FDIGSRFZSRALMU-OAQYLSRUSA-N 448.316 5.540 30 10 IKEE CCCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccc(F)cc2)cc1OCC 526801432 QOUZESIZNJZCRO-MYYYXRDXSA-N 442.560 5.342 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccc(OCCC)cc1 526813164 XMCUVEDHOKQKLA-XYGWBWBKSA-N 443.016 6.237 30 10 IKEE C(=N\n1c(CCc2ccccc2)nnc1SCc1cccc2ccccc12)\c1ccccn1 526822024 QGXKAGTWZYJUPN-CEUNXORHSA-N 449.583 5.786 30 10 IKEE C=CCCN(CCc1ccc(OC)cc1)S(=O)(=O)c1ccc(CCCCCC)cc1 586180215 OHYKGWXGFSUENQ-UHFFFAOYSA-N 429.626 5.628 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(CCCC#N)Cc2ccccc2Cl)cc1 586180591 HJDDGRMRSMJCKX-UHFFFAOYSA-N 433.017 5.957 30 10 IKEE CC(C)(C)c1csc(NC(=O)c2ccc(NC(=O)NCc3ccccc3)cc2)c1C#N 586631595 CETBQUVFWYIBAQ-UHFFFAOYSA-N 432.549 5.491 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1c(F)cccc1Cl 698455081 ZPDITOILZBWZFK-INIZCTEOSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 724068813 GVXPUFOFHQFEDB-QMHKHESXSA-N 433.524 5.154 30 10 IKEE CC(/C=C\C(=O)c1ccc(C(=O)/C=C/C(C)=C/c2cccs2)cc1)=C/c1cccs1 725419833 LVOGIPHBLPIGBD-RABVYJGESA-N 430.594 7.494 30 10 IKEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N(CC)Cc1nc(O)c2sccc2n1 1722584570 UJQLQOARYFLKSN-HNNXBMFYSA-N 428.606 5.131 30 10 IKEE C/C(C=NN=C1S/C(=C/c2ccc(O)cc2)C(=O)N1Cc1ccco1)=C/c1ccccc1 1772759485 RYZFYQVDBCMFPR-COLKZDKYSA-N 443.528 5.547 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)C(C)(C)Oc1ccc(Cl)cc1 1861463165 QNQBTHZMKPXDNQ-OAQYLSRUSA-N 439.040 5.649 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccccc1 1862396716 DPJAFWQADSMBOI-XUZZJYLKSA-N 435.564 5.941 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862429483 OOKLBXBXUWVCQC-QHCPKHFHSA-N 435.951 6.117 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2cccc(F)c2)cc1 1862445593 ZKXPGLXOJDFCHG-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C(C)C)cc1 1862451939 QSOACDMIOKICJI-OAQYLSRUSA-N 426.944 5.173 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1 1862476684 DEONNCFSMOEZJP-DEOSSOPVSA-N 435.564 5.512 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862488627 FAEDETNJQQPCKP-SANMLTNESA-N 445.603 6.557 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccccc2F)c1 1862502298 WKCUNQFJYJVTGT-DEOSSOPVSA-N 447.481 5.669 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccc3ccccc23)cc1 1862532740 YTLCCQISDPILNS-AREMUKBSSA-N 448.522 5.576 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccccc2C)cc1F 1862639004 OSTUOZSBDIJHPX-AYPBNUJASA-N 437.511 5.300 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccc(F)cc2)cc1 1862662980 OQUOMTNOPVDHDP-DEOSSOPVSA-N 447.481 5.867 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862672486 CDPZZZWNAUJQHW-QHCPKHFHSA-N 437.511 5.526 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1cccc(Cl)c1)c1ccc(F)cc1 1862675207 DRTUJOXWNHGMSC-LJQANCHMSA-N 427.884 5.319 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(C(C)(C)C)cc2)c1 1862705457 YWMLIKKZEUSEAY-QHCPKHFHSA-N 433.548 5.514 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)c1 1862736015 FJFPJIBYKFBDCN-HXOBKFHXSA-N 442.471 5.243 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 1862752583 YWIJFAGBZSNVJO-HXUWFJFHSA-N 440.883 5.159 30 10 IKEE CCCCCCCCCCNC1=C(c2cccs2)C(=O)N(Cc2ccccn2)C1=O 1863797914 JKUNZWVIDJDOIV-UHFFFAOYSA-N 425.598 5.154 30 10 IKEE CCCN(CCC)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1Cc1ccc(C)cc1 1870350799 XAWNGQISBBMWGG-UHFFFAOYSA-N 443.591 5.278 30 10 IKEE CCCCCCCCCCn1cc(OCCCCCC)c(=O)cc1CN1CCCCC1 1870673429 KTIIAXVOWNLGSI-UHFFFAOYSA-N 432.693 6.934 30 10 IKEE C=CCn1cc(OCc2cccc(Cl)c2)c(=O)cc1CNc1cccc([N+](=O)[O-])c1C 1870827581 PSKXYVPGLATFSI-UHFFFAOYSA-N 439.899 5.095 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2)c(CNc2ccc3c[nH]nc3c2)cc1=O 1870833788 SWSCJIWBGBSVLK-UHFFFAOYSA-N 444.579 5.734 30 10 IKEE C=CCn1cc(OCCCCCC)c(=O)cc1CNc1ccc(Oc2ccccc2)cc1 1871123820 AOQXKUWNXUUFAM-UHFFFAOYSA-N 432.564 6.398 30 10 IKEE CCCCCCCCCCN=c1[nH]c(Nc2ccc(CCCC)cc2)ncc1[N+](=O)[O-] 1871302620 UPJSFHOVCFFQCX-UHFFFAOYSA-N 427.593 6.446 30 10 IKEE Cc1c2c(cc3c1O/C(=C\C=C\c1ccccc1)C3=O)CN(Cc1ccccc1F)CO2 1871352567 QJCXETIEBWPJAR-OBJYXWAWSA-N 427.475 5.659 30 10 IKEE CCc1ccc([C@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2ccc(OC)cc2)C4=O)cc1 1871353980 CUPRBEXYJJIDHM-OMTSMLQXSA-N 441.527 5.787 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)c4cccc(NC(C)=O)c4)cc(C)c3C2=O)cc1 1871365349 TXDGMLHUOTWPKT-CFRMEGHHSA-N 441.483 5.351 30 10 IKEE Cc1c(OCCOc2ccc(Cl)cc2)ccc2c1O/C(=C\C=C\c1ccccc1)C2=O 1871414729 LZFMJBJRGOAAKY-CLMGESTGSA-N 432.903 6.279 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(O[C@@H](C)C(=O)Nc3ccc(C#N)cc3)cc(C)c2C1=O 1871436269 SRDWGQOCBINPFK-IXGURIBZSA-N 444.512 5.259 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1 1872496862 LEGQLKXZUAJGQN-JOCHJYFZSA-N 449.016 5.331 30 10 IKEE N#C[C@H](C(=O)Cc1cc(Cl)ccc1Cl)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1872759550 RZNAUEATTWJHHC-OAHLLOKOSA-N 432.288 5.444 30 10 IKEE N#C[C@H](C(=O)c1cc2ccccc2oc1=O)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872762057 BXRZWOLKPOKFHL-OAHLLOKOSA-N 441.295 5.713 30 10 IKEE COc1ccc(OC)c(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccc(Cl)cc3)n2)c1 1872771095 MFRMKLMAMQQDDY-ACJLOTCBSA-N 442.924 5.124 30 10 IKEE CC(C)c1ccc(O[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 1872772839 IGRRPPDPFJNVFR-OXQOHEQNSA-N 448.544 5.348 30 10 IKEE N#C[C@@H](C(=O)/C=C/c1ccc(Cl)cc1Cl)c1nc(-c2ccc3c(c2)OCO3)cs1 1872773604 ROWMQOJKAPWHMD-IJJSQOHJSA-N 443.311 5.735 30 10 IKEE COc1ccc(CC(=O)[C@H](C#N)c2nc(-c3cccc4ccccc34)cs2)cc1OC 1872774789 BVXVMEQESMDGHY-FQEVSTJZSA-N 428.513 5.399 30 10 IKEE CC(C)COc1cccc(C(=O)[C@H](C#N)c2nc(-c3cccc4ccccc34)cs2)c1 1872775002 IHNUVFRPDPAFBQ-QHCPKHFHSA-N 426.541 6.488 30 10 IKEE CCCCCCCOc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(C)cc3)n2)cc1 1872776031 HABQQWGDDPCNGV-HSZRJFAPSA-N 432.589 6.958 30 10 IKEE COc1c(Cl)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)/C=C/c2ccc(C)cc2)n1 1872778239 HCMRGXBDRKLWDI-IWAYRVGRSA-N 443.355 6.324 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(-n3cccc3)cc2)C(=O)N([C@@H](C)CC)C1=O 1873037629 ZCIPVUXQLOVRFC-QFIPXVFZSA-N 449.639 6.086 30 10 IKEE CCCCCCCCNC1=C(c2cccc(OC)c2)C(=O)N([C@@H](C)c2ccccc2)C1=O 1873047096 AUNHGUGHSGBGLX-FQEVSTJZSA-N 434.580 5.486 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(C(F)(F)F)cc2)=C(c2c(Cl)cccc2Cl)C1=O 1873289567 UEGUNNQZKNIRDO-UHFFFAOYSA-N 441.236 5.390 30 10 IKEE CCOc1cc(/C=N/Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1Cl 1873499047 ZJUOWXOTIKVONS-LGJNPRDNSA-N 449.765 7.071 30 10 IKEE Cc1cc(C)cc(CSc2nnc(C)n2/N=C/c2cccc(OCc3ccccc3)c2)c1 1873501831 RAFGFTYMBCTMOE-JVWAILMASA-N 442.588 5.957 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1cc(C)ccc1C)n2CC(C)C 1873621615 ZNYWHFAHVQOPAB-UHFFFAOYSA-N 449.643 6.729 30 10 IKEE CCCCCCCCNC(=O)CC1(N2Cc3ccccc3C2=O)CCC(C(C)(C)C)CC1 1873885942 AKFAQSSBEGOXGF-UHFFFAOYSA-N 440.672 6.484 30 10 IKEE CCCCCCCCNC(=O)[C@H](C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1C 1873891683 JTDNBIVFLQQVFA-FQEVSTJZSA-N 435.564 6.012 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2/N=C/c2ccccc2C(=O)O)CC1 1874287830 ZLPIZWLZQBIKKH-LFVJCYFKSA-N 428.602 5.825 30 10 IKEE CCCCOc1ccc(/C=N/n2c(COc3ccccc3OC)nnc2SCC)cc1 1874289064 XZBQVDYXUPKPIO-LFVJCYFKSA-N 440.569 5.039 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3[N+](=O)[O-])n2/N=C/c2ccccc2)c1 1874295448 BWBLRTQHLOADOR-PCLIKHOPSA-N 443.532 5.260 30 10 IKEE Cc1cccc(CSc2nnc(COc3c(C)cccc3C)n2/N=C/c2ccncc2)c1 1874299081 HUOGREWCZPGIHQ-JFLMPSFJSA-N 443.576 5.352 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2O)cc1 1874303898 XCZGJTWGBUIFSR-YZSQISJMSA-N 444.560 5.148 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccc(C)c(C)c3)n2/N=C/c2cccs2)cc1 1874318977 TYROFQJYHWFYDH-AFUMVMLFSA-N 448.617 6.018 30 10 IKEE Oc1ccc(/C=N/n2c(COCc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 1874353080 PVYRSEFECYNTTM-VULFUBBASA-N 448.523 5.014 30 10 IKEE Cc1ccsc1/C=N/n1c(CCc2cccs2)nnc1SCc1ccccc1F 1874371855 VCKMCIKGGLRPDH-YDZHTSKRSA-N 442.610 5.808 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccc(F)cc3)n2/N=C/c2cccc(F)c2)c1 1874379659 FODDGVSFGXBNGR-RWPZCVJISA-N 448.542 5.938 30 10 IKEE Cc1ccc(CSc2nnc([C@@H](C)c3ccccc3)n2/N=C/c2cc(C)ccc2O)cc1 1874392219 GZMXHZFHRFKTTG-BJRSOBTISA-N 442.588 5.927 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3)n2/N=C/c2cccc(F)c2)c1 1874402534 GGVRQIVTOLMDJR-OGLMXYFKSA-N 444.579 5.994 30 10 IKEE CCCN(CCC)C(=O)CSc1nnc(C2CCCC2)n1/N=C/c1ccc(CC)cc1 1874456143 CMJFQGRXTUXJDF-KOEQRZSOSA-N 441.645 5.121 30 10 IKEE C=CCSc1nnc(-c2ccco2)n1/N=C/c1ccc(OCc2ccccc2)c(OC)c1 1874468182 WHKNGGVFUBXZRN-PCLIKHOPSA-N 446.532 5.286 30 10 IKEE CCOc1c(/C=N/n2c(SCc3ccc(F)cc3)nnc2C(C)(C)C)cccc1OC 1874483040 AXZSPNCNWSOFNC-AFUMVMLFSA-N 442.560 5.297 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2cccc(Cl)c2)nnc1C(C)(C)C 1874486048 YSQIZPMZPPESKA-MFKUBSTISA-N 443.016 6.192 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874486989 UIHTYAMDDYXPLP-WSDLNYQXSA-N 429.933 5.312 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(CC(C)C)nnc2SCc2cccc(C)c2)cc1 1874489399 PLWDEJOTYDSZOL-YZSQISJMSA-N 435.641 5.806 30 10 IKEE CCCCOc1ccc(/C=N/n2c(C)nnc2SCc2c(Cl)cccc2Cl)cc1 1874533495 LQPPCSIORTVQJF-ZMOGYAJESA-N 449.407 6.247 30 10 IKEE Cc1ccc(Cc2nnc(S)n2/N=C/c2ccccc2OCc2ccccc2)cc1C 1874562243 KKNFHJKSLZFJDG-WGOQTCKBSA-N 428.561 5.236 30 10 IKEE Cc1ccccc1COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(Cl)cc1Cl 1874573599 WIEWLDLIJGYWMG-BUHFOSPRSA-N 447.361 7.930 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2c(OCCO)ccc3ccccc23)cc1OCCC 1874576284 GLXZABRPJNBRCX-VAWYXSNFSA-N 434.532 5.685 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 1874579493 RCXADCUIAWFULC-RUDMXATFSA-N 435.709 7.261 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2cccc(OC)c2OCc2ccccc2)cc1Cl 1874588563 SVEZRBUOAZBHMJ-OUKQBFOZSA-N 438.907 5.841 30 10 IKEE Cc1cccc(NC(=O)COc2cccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)c2)c1C 1874593935 JMFPRBUPRNNETD-DTQAZKPQSA-N 439.555 6.096 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3cccc4ccccc34)c2)cc1 1874595473 MUIIXSYOMSFTQC-GZTJUZNOSA-N 438.523 6.722 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OCc1cc(C)ccc1C 1874621189 OLFDPBVURORXKX-JXMROGBWSA-N 430.500 5.906 30 10 IKEE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Oc1cccc(/C=C/C(=O)c2ccccc2)c1 1874700177 FPDWLBDXNCWOKD-YBHKSSGVSA-N 441.310 6.262 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2)cc1OC(=O)Cc1cc(Cl)ccc1Cl 1874700874 QNQXGYFUHYVSQQ-YRNVUSSQSA-N 441.310 6.046 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OC(=O)CSc1ccccc1 1874708017 IRXSUOWLALYJFX-OQLLNIDSSA-N 446.568 6.412 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)Cc3ccccc3F)c2)cc1C(C)C 1874710607 FWDPSTYVFHCKSQ-OUKQBFOZSA-N 446.518 6.310 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)CCCOc3ccccc3)c2)c(C)c1 1874716470 UEJKSGVMVODSTN-CCEZHUSRSA-N 428.528 6.273 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(F)cc2)CSc2nnc([C@@H]3CCCO3)n21 1874947086 VLIXDBZCRIYCKE-PMACEKPBSA-N 446.592 5.331 30 10 IKEE CCCCC(=O)Oc1c(OCC)cc(/C=C/C(=O)c2ccc3ccccc3c2)cc1[N+](=O)[O-] 1875095442 PQMORXOQLSENPZ-SDNWHVSQSA-N 447.487 6.138 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(Cl)c1OC(=O)c1ccccc1 1875097204 ZRUOYUNVMPKMMZ-SDNWHVSQSA-N 446.930 6.343 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(OC)c1OC(=O)Cc1ccccc1 1875101870 SRSKIMNZWLLPBP-SAPNQHFASA-N 440.539 6.030 30 10 IKEE O=C(COc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1 1875109021 RZMMFCPHAICCEF-OVCLIPMQSA-N 437.289 5.330 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Br)cc2)ccc1OC(=O)CCCSC 1875111047 QVYQJNIYUFQQMB-VZUCSPMQSA-N 449.366 5.402 30 10 IKEE C[C@@H](C(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1Cl)c1ccccc1 1875121010 VMMCEFROVVGVJO-XKOZXHHJSA-N 426.846 6.223 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)c1cccc(C)c1 1875121594 XKLDQBJDBBRZJT-ZHACJKMWSA-N 436.891 5.781 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1 1875136162 AFWCWOYCWMJCNQ-VIZOYTHASA-N 446.499 5.608 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)cc3)c(Cl)c2)cc1 1875137665 YINQVFXZOFSCIE-RIYZIHGNSA-N 448.946 6.481 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(Cl)c3)c(OC)c2)cc1F 1875153664 RVCLJAOZHZEZMN-RMKNXTFCSA-N 440.854 5.612 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2OC)CC1 1875159324 NGYJNYYLFVIBEA-LZYBPNLTSA-N 438.539 6.632 30 10 IKEE Cc1cncc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Oc4ccccc4)cc3)cc2)c1 1875165680 SYVIGMVZANKGBJ-CXUHLZMHSA-N 435.479 6.298 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c([N+](=O)[O-])c2)cc1C 1875175062 XEYBAJSSDYJZPZ-JXMROGBWSA-N 446.415 5.235 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1)c1ccc(F)c(F)c1 1875191702 ZQBNOLPAUFAKEP-XCVCLJGOSA-N 433.237 6.387 30 10 IKEE C=CCN(CC=C)C(=O)c1cc2c(NCCCCCCCCCC)ncnc2n1CCC 1875205710 UATISBADFWQMKV-UHFFFAOYSA-N 439.648 6.208 30 10 IKEE N#C[C@]1([C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCCOCC1 1875689861 MUPAMVRSLUBGIG-IZLXSDGUSA-N 443.543 5.588 30 10 IKEE CC#CCCCC[C@H](N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1885370402 PDCLBSYCVFCDJL-LITSAYRRSA-N 443.587 5.789 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCC)c2c(Cl)ccc(Br)c2F)C1 1892685321 YKHLWOYALOZREP-MRXNPFEDSA-N 447.776 5.506 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@](C)(O)c1ccc(OCc2ccccc2)cc1 1922100240 RIOMUEIXFNEPOI-VSGBNLITSA-N 431.576 5.224 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 1996784325 QCYDFIYFAHCUEC-UEQSERJNSA-N 428.617 5.021 30 10 IKEE C=CCCCCCCCC[C@@H](O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2026312144 FWBPVIPQXUJBBB-DNQXCXABSA-N 433.633 6.154 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 2059075463 XNUUKIPCPPIANZ-PXDATVDWSA-N 438.612 6.086 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NC)c2c(Cl)cccc2Br)C1 2063051602 FDXFBXLOCHNTKO-INIZCTEOSA-N 429.786 5.224 30 10 IKEE CN[C@@H](CC#C[Si](C)(C)C)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2067279730 AOIWZSKVENCZHY-INIZCTEOSA-N 425.443 5.328 30 10 IKEE C=CCC[C@H](NCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071348056 GDYZZHWWRKOHQW-LSYYVWMOSA-N 431.576 5.822 30 10 IKEE Cc1cc(C)c([C@@H](n2nc(C3CC3)c(C#N)c2I)C(C)(C)C)cc1C 2078983746 ISWAQUPESLHCLG-LJQANCHMSA-N 447.364 5.798 30 10 IKEE CC(C)c1nn(Cc2cc(C(F)(F)F)ccc2F)c(C(F)(F)F)c1Br 2079039099 CRJSOIQODMSVEQ-UHFFFAOYSA-N 433.165 5.994 30 10 IKEE CC1([C@@H](c2ccc(C(F)(F)F)c(F)c2)n2nc(C(F)(F)F)c(CO)c2Cl)CC1 2079855512 NWPGQPINSIOTTK-CYBMUJFWSA-N 430.751 5.595 30 10 IKEE CC(C)[C@H](c1ccc(C(F)(F)F)cc1)n1nc(C2CCC2)c(C#N)c1Br 2079873484 PKUMHLDXFKEKGA-QGZVFWFLSA-N 426.280 6.049 30 10 IKEE CCCc1ccc([C@H](C2CCC2)n2nc(C(F)(F)F)c(C=NO)c2Br)cc1 2079908191 PSNVWOBGYQTGAB-INIZCTEOSA-N 444.295 5.815 30 10 IKEE C=CCN(CC[C@H](NCC)c1cc(Cl)cc(Br)c1)C(=O)OC(C)(C)C 2081565923 KUAMHOOZXFQOLF-KRWDZBQOSA-N 431.802 5.566 30 10 IKEE C[C@H](C[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br)C(F)(F)F 2121445579 SDPULYPXAXOUIC-SJKOYZFVSA-N 435.284 6.061 30 10 IKEE CC1(C)CC2(CC2)C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Br)c2)C1 2146888881 FTHVMZITLVVMEC-QFIPXVFZSA-N 433.390 6.443 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@@H]2Nc2ccc(Br)cc2C#N)C1 2156236682 NAYXPKNEAQDNRU-GHTZIAJQSA-N 434.378 5.302 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(OCCNc2ccc(Br)cc2C#N)cc1 2162411969 AHEUSUKNKZZPAY-UHFFFAOYSA-N 432.318 5.159 30 10 IKEE CO[C@@]1(C)C[C@H]2C[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2185286202 XOUSCIQRPDEWQL-XSRQCEPYSA-N 435.362 5.288 30 10 IKEE C=C[C@H](C)C[C@@H](NCC)c1sc(Br)c(Br)c1Br 2216492611 PTADTJPGSNJMCD-JGVFFNPUSA-N 446.046 5.898 30 10 IKEE CC1(NC(=O)OCc2ccccc2)CCC(Nc2cc(Br)ccc2C#N)CC1 2258955392 XZZLEFYUDNOBJQ-UHFFFAOYSA-N 442.357 5.360 30 10 IKEE CN[C@H](C#Cc1ccc(Br)cc1)[C@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C 2296279402 OMECJJIJIORQCT-MOPGFXCFSA-N 437.422 5.060 30 10 IKEE Cc1c(NC(=O)OC(C)(C)C)ccc([C@H](O)C#Cc2ccc(Br)cc2)c1C 2296289458 RUNYGRBZLBOUPX-HXUWFJFHSA-N 430.342 5.498 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@H](CC(C)C)NC(=O)OC(C)(C)C 2296296060 JRCAOTTVECQGSJ-UXHICEINSA-N 437.422 5.108 30 10 IKEE Cc1cc(C)c2c(c1)C(=C1SC(=Nc3ccccc3)N(c3ccccc3)C1=O)C(=O)N2 2297296078 CWAFIWKLHMDAAM-UHFFFAOYSA-N 425.513 5.434 30 10 IKEE Cc1cc2cc3c(nc2cc1C)SC(=NCC(C)C)N(Cc1ccc2c(c1)OCO2)C3 2297506851 UJKPTCAGMCPBON-UHFFFAOYSA-N 433.577 5.700 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)SC1=S 2297559114 PGWTUMPYMHBWLY-UHFFFAOYSA-N 436.385 5.960 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@@H]3C[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)cc1 2308987637 YBUDTMGADNFLID-OFHLLDISSA-N 441.572 5.322 30 10 IKEE O=C(COc1ccccc1)Nc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1 2313626238 LMKFUERAOMKNRF-UHFFFAOYSA-N 436.305 5.363 30 10 IKEE O=C(C=Cc1ccco1)Nc1cccc(C(=O)C=Cc2ccc(-c3ccc(Cl)cc3)o2)c1 2314523498 WZGZKQMBDIGEOK-UHFFFAOYSA-N 443.886 6.741 30 10 IKEE COc1cccc(C=C2Oc3cc(OCc4cc(C)ccc4C)cc(C)c3C2=O)c1OC 2321755917 VJFCXYXBPWLBAN-UHFFFAOYSA-N 430.500 5.824 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1cc2ccccc2n1C 2321796622 VVRQSHPNIGSZGD-UHFFFAOYSA-N 441.963 5.689 30 10 IKEE Sc1nnc(-c2cccs2)n1N=Cc1ccc(OCc2cccc(Cl)c2)cc1 2321908181 GUNPMXKBUZXIAF-UHFFFAOYSA-N 426.954 5.410 30 10 IKEE COc1ccc([C@@H](C)N2COc3ccc4c(c3C2)OC(=CC=Cc2ccccc2)C4=O)cc1 2322239906 WUIQXAIKLIITCU-LJQANCHMSA-N 439.511 5.781 30 10 IKEE COc1cccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)c1OCc1cccc2ccccc12 2322312352 WCABWKDVKOOZDG-UHFFFAOYSA-N 439.467 6.232 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(Cl)cc(OC)c1OCCc1ccccc1 2322643193 ZGQJMPBIACXVRQ-UHFFFAOYSA-N 436.935 6.183 30 10 IKEE CCN(CC)C(=O)COc1c(C=CC(=O)c2cc(Cl)ccc2Cl)cccc1OC 2323009462 VQYDIXKZVQMOBP-UHFFFAOYSA-N 436.335 5.145 30 10 IKEE COC(=O)c1ccc(COc2ccccc2C=CC(=O)c2cc(Cl)ccc2OC)o1 2323022223 YRXIXEFWHFHVTQ-UHFFFAOYSA-N 426.852 5.203 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(OC(=O)C(Cl)(Cl)Cl)c3C)C2=O)cc1 2323038306 QPWIMFMBIVUZJM-UHFFFAOYSA-N 441.694 5.286 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1[N+](=O)[O-] 2323331413 DCHWHZOKRBSWDI-UHFFFAOYSA-N 427.412 5.295 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)Cc4cccc5ccccc45)c3C)C2=O)cc1 2323400093 BFXXTTDWGFQVKO-UHFFFAOYSA-N 434.491 6.221 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(CC)cc3)cc2Cl)o1 2323464817 NWALMAQJLLCVNJ-UHFFFAOYSA-N 438.907 6.147 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc(Cl)c2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 2323675892 YMMIFEJCUUSCTO-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1)c1ccccc1 2323812640 NSGUZXFODBLGAO-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE COc1ccccc1-c1csc(NN=Cc2ccc(OCCCc3ccccc3)cc2)n1 2323843926 ABQRWJUJHWVAQK-UHFFFAOYSA-N 443.572 6.276 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(OC)cc2)C3=O)c1 2323854538 PPDTVLCHXSVJSU-UHFFFAOYSA-N 442.467 5.404 30 10 IKEE CCCOC(=O)COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1Cl 2323880004 FRPMYFNOAOKSKN-UHFFFAOYSA-N 427.711 5.875 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OCc1ccc(Cl)cc1 2323960020 XCPIDQLEPHSTCT-UHFFFAOYSA-N 446.974 7.169 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@](C#N)(N(C(=O)OC(C)(C)C)c1ccccc1F)C2 2324108086 FJIPUBXORGMOCM-TVVUZDRGSA-N 445.535 5.249 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1Cl)NCc1ccccc1 2324241498 SOWNNJOWHUPBQK-UHFFFAOYSA-N 441.861 5.210 30 10 IKEE CCCOc1ccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1Br 2324281529 POAJPTMGUFYBMG-UHFFFAOYSA-N 437.333 6.926 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OCc2cccc(C)c2)c(Cl)c1 2324510276 KDUNGFAOMOSQSR-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE N#C[C@H](C(=O)C(=Cc1ccccc1)c1ccccc1)c1nc(-c2ccc(Cl)s2)cs1 2324817320 PJVSJBBEBORRNY-LJQANCHMSA-N 446.984 6.942 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(OCCOc4ccccc4F)c3C)C2=O)cc1 2324857797 RWAKBCPFPYKSNZ-UHFFFAOYSA-N 434.463 5.607 30 10 IKEE CCCCCCCCCOc1ccc2c(c1)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2325183540 DEHMRXXBTVWHEB-UHFFFAOYSA-N 433.375 7.739 30 10 IKEE Cc1c(OCc2cccc3ccccc23)ccc2c1OC(=Cc1cn(C)c3ccccc13)C2=O 2325272513 KBTSOMRFWDVRBN-UHFFFAOYSA-N 445.518 6.835 30 10 IKEE Fc1cccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccccc2F)c1 2325448716 IKIZTPHUZARNTD-UHFFFAOYSA-N 434.515 5.516 30 10 IKEE O=C(CCOc1ccc2c(c1)OC(=Cc1c(F)cccc1Cl)C2=O)Nc1ccccc1 2325474540 RQTDCBFUFQGWDK-UHFFFAOYSA-N 437.854 5.503 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2cccc(C)c2)C3=O)cc1 2325616561 WNGHQBKTUCNQDZ-LJQANCHMSA-N 441.527 6.142 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 2325739558 WCFPDHPUILKCRV-UHFFFAOYSA-N 431.444 5.499 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OC(=O)CCc2ccc(Cl)cc2)c1 2325743502 NIQHLCHRKDSXAY-UHFFFAOYSA-N 434.919 6.091 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)c2ccccc2)c1 2325756172 VYWCZFZJBOPNFD-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE CCOc1cc(C=Nn2cnnc2SCc2cccc(C)c2)cc(Cl)c1OC(C)C 2326374745 FTKYGXSFPNVJFH-UHFFFAOYSA-N 444.988 5.600 30 10 IKEE COc1ccc(CCc2nnc(SCc3ccccc3)n2N=Cc2cccc(C)c2)cc1 2328577000 PROZZQYUZVVIFI-UHFFFAOYSA-N 442.588 5.555 30 10 IKEE CCc1ccc(C=Nn2c(CCc3cccs3)nnc2SCc2ccccc2C)cc1 2329634269 KNNQPWSNXXPQGE-UHFFFAOYSA-N 446.645 6.170 30 10 IKEE O=C(Cc1ccc(Cl)cc1)Oc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1 2330651546 MULYELUQXVFVBF-UHFFFAOYSA-N 426.899 6.537 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc(CC)cc1 2330944084 FWNDGDMBMVLTEB-UHFFFAOYSA-N 434.919 6.416 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)c1ccc(OC)cc1 2331077602 GQYSKPPCKLTMNY-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE O=C(Cc1cc(Cl)ccc1Cl)Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1 2331084244 HQHVETGQAPLQCS-UHFFFAOYSA-N 447.264 6.316 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OC(=O)c1ccccc1Cl 2331172941 QMLLZZHANLWYFF-UHFFFAOYSA-N 441.310 6.507 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1N=Cc1ccccc1C 2331174420 JWMCAZJPWQXMHO-UHFFFAOYSA-N 445.548 5.022 30 10 IKEE Clc1cccc(CSc2nnc(-c3ccco3)n2N=Cc2ccccc2Cl)c1 2331225450 XNFXZNPJNHGTPS-UHFFFAOYSA-N 429.332 6.019 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)COc1c(C)cccc1C 2331282103 DOZDOAGBDIAYEG-UHFFFAOYSA-N 444.527 5.891 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2[N+](=O)[O-])cc1 2331417227 YZXYHJNSSBMQTB-UHFFFAOYSA-N 443.499 6.316 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(F)c3)cc2[N+](=O)[O-])cc1 2331459041 FTEWKFAEFZXEEE-UHFFFAOYSA-N 449.434 5.420 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)C3CCC3)c([N+](=O)[O-])c2)cc1C(C)C 2331577785 PWILTYSPOCULCY-UHFFFAOYSA-N 437.492 5.637 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1OC(=O)C(F)(F)F 2331640602 DPKPXCHGPNKQCI-UHFFFAOYSA-N 440.845 5.946 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(SCc2ccc(F)cc2)nnc1C(C)C 2331674639 COIVQMWYXCNGCP-UHFFFAOYSA-N 434.540 5.877 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(F)c(F)c2)cc1 2331753504 BTMPOQQZFODFBW-UHFFFAOYSA-N 442.845 6.051 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(-c4ccccc4)cc3)cc2)c(C)c1 2331762729 IVMJSWOEIUHDFS-UHFFFAOYSA-N 446.546 7.394 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1Cl 2331860145 LEUWKKRKAQYAJL-UHFFFAOYSA-N 445.729 7.071 30 10 IKEE Cc1cccc(C(=O)N2CC[C@@](C)(B3OC(C)(C)C(C)(C)O3)C2)c1NC(=O)OC(C)(C)C 2342473025 VSQFZHMMTZDMDX-XMMPIXPASA-N 444.381 5.040 30 10 IKEE CC[C@H](N[C@H]1C[C@H](OCc2ccccc2)C1(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363836333 MDOQLDDPNFQKFY-SDHOMARFSA-N 449.444 5.410 30 10 IKEE CN(C[C@@H]1CCCCN1Cc1ccccc1)c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2365065121 YOHOGXGXIBYOTF-JOPBRCQMSA-N 447.432 5.217 30 10 IKEE Cc1cc(OCc2ccccc2)ccc1NCc1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1 2369618213 IJZBXKZEFODFIO-UHFFFAOYSA-N 443.396 5.794 30 10 IKEE Cc1c(/C=N/c2cccc(NC(=O)c3ccccc3)c2)c(O)n2c(nc3ccccc32)c1C#N 3043802 AJHHMLFJNSMPOL-MUFRIFMGSA-N 445.482 5.376 30 10 IKEE CC1(C)C(=S)N(c2cccc(C(F)(F)F)c2)/C(=N/C2CCCCC2)[C@@H]1N1CCCC1 15861653 RXUHEUITNJXKRA-GNOYWZPDSA-N 437.575 6.075 30 10 IKEE C[C@H]1CN(CN2C(=O)/C(=N\c3ccc4c(c3)oc3ccccc34)c3ccccc32)C[C@@H](C)O1 16609495 ASMAXZXPVOCRLW-NQRVILGJSA-N 439.515 5.120 30 10 IKEE C=CCNC(=O)c1cccc2c1N[C@H](c1ccccc1OCc1ccccc1)[C@H]1CC=C[C@@H]21 20710660 GTKFYTJGJSGTTP-VHSZZVNMSA-N 436.555 6.008 30 10 IKEE Cc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)c(Cl)c1 21722297 DDDVKZGTRFBVJF-XMMPIXPASA-N 447.922 6.454 30 10 IKEE CN1C/C(=C/c2cccc(Br)c2)C(=O)/C(=C\c2cccc(Br)c2)C1 33692501 KHBXHLSTIOLHQI-JCDHFMOQSA-N 447.170 5.193 30 10 IKEE O=C(/C=C\c1ccccc1OC(=O)c1ccc2c(c1)OCO2)c1ccc(-c2ccccc2)cc1 34955574 KBFXHGLLRYDVQF-PEZBUJJGSA-N 448.474 6.198 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccco2)cc1 35301362 VDJWEKQMNPQASL-QHCPKHFHSA-N 431.488 5.074 30 10 IKEE COc1cc([C@@H]2c3sc(O)nc3SC[C@@H]2C=O)ccc1OCc1ccccc1Cl 35531268 UOSQZMZRVCQEBD-KSSFIOAISA-N 447.965 5.142 30 10 IKEE C=CCC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C1CC1 36304814 TYSALGARHASBIA-DEOSSOPVSA-N 431.580 5.573 30 10 IKEE C=CCN(Cc1ccc(Cl)cc1)c1c([N+](=O)[O-])c(=O)n(-c2ccccc2)c2ccccc12 40562391 WQVZNZAUAXVOIU-UHFFFAOYSA-N 445.906 5.745 30 10 IKEE Cn1cc([C@H](CC(=O)NCc2ccccc2)c2cccc(C#N)c2Cl)c2ccccc21 96292486 FBDLXDQCWQUDOW-JOCHJYFZSA-N 427.935 5.542 30 10 IKEE Cc1ccc(-c2csc3nc(-c4ccccc4)n(Cc4cccc(C#N)c4)c(=O)c23)cc1 96527222 PZBFXIDKVVSLSO-UHFFFAOYSA-N 433.536 6.020 30 10 IKEE N#Cc1cccc(Cn2c(-c3ccccc3)nc3scc(-c4ccc(F)cc4)c3c2=O)c1 96527319 MWJTVHFJRPGBIL-UHFFFAOYSA-N 437.499 5.851 30 10 IKEE CCCCCCCCOc1ccc(/C=C2/N=C(/C=C\c3cccc([N+](=O)[O-])c3)OC2=O)cc1 97998454 TWAURIMGBNRVSE-NUOHSWRESA-N 448.519 6.344 30 10 IKEE CCCCCCCOc1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 100155524 BUQDRTNKAWSGQO-UHFFFAOYSA-N 446.616 6.830 30 10 IKEE CCCCCCCCOc1ccc(-c2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)cc1 100606128 HYOOUGKYJPIKNY-HSZRJFAPSA-N 429.604 7.584 30 10 IKEE COc1ccc(C(=O)O/N=C2\C[C@@]3(C(=O)Nc4cccc(C)c4)CC[C@@]2(C)C3(C)C)cc1 100965386 YLMBQURGNHMJHK-WHFJYLDOSA-N 434.536 5.372 30 10 IKEE Sc1nnc(Cc2ccccc2)n1/N=C\c1ccc(OCCCc2ccccc2)cc1 169911624 BCJUHFFBERXMRE-XHPQRKPJSA-N 428.561 5.051 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2cccc(C)c2)cc1 169922937 XJBYJWOZIXKYHU-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE O=C1CCCC2=C1[C@H](c1cccc(OCc3ccc(Cl)cc3Cl)c1)NC(=S)N2 169938911 DOIXCLPDTJMKON-FQEVSTJZSA-N 433.360 5.098 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2CCC)cc1 169976228 VLMWDEJTBPSTNT-VWLOTQADSA-N 435.564 5.563 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccncc2)cc1 170017126 MXOACPGIIWMGPX-QFIPXVFZSA-N 430.479 5.301 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCCC2)cc1 170031717 RDBVVSNNDZYNKN-QFIPXVFZSA-N 439.939 5.650 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@@H]1c1ccccc1)c1ccc(F)cc1 170050454 DUEDXUZWHWMWJE-HXUWFJFHSA-N 425.818 5.401 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2ccc(C)cc2)=C(N2C[C@@H](C)C[C@H](C)C2)C1=O 170076951 SLXYVOBAKHXBHT-GOTSBHOMSA-N 438.656 6.194 30 10 IKEE Cn1cc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccccc2)c2ccccc21 170084182 FPAVXEPQMHJDGJ-AREMUKBSSA-N 436.511 5.280 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)[C@H]2c2ccco2)cc1C 170094931 SMWPAJSRXIEKFH-QHCPKHFHSA-N 431.488 5.467 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccco2)c1 170096042 XCMVLKSEFDKBLN-DEOSSOPVSA-N 440.499 5.199 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2OC)cc1C 170126151 AERHBFKFWGSITO-XMMPIXPASA-N 449.547 5.313 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2c2ccc(F)cc2)c1 170140548 YFVJGUUCLQJMBN-RUZDIDTESA-N 441.502 5.796 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@H]1c1ccc(C(C)(C)C)cc1 170150203 CRAYRSWUYBFMLR-OAQYLSRUSA-N 441.955 5.634 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccs2)cc1 170156621 LUJNSECDTNYILR-JOCHJYFZSA-N 433.529 5.628 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2cccs2)c1 170158397 MLHALJSFRPBAJU-HXUWFJFHSA-N 434.473 5.056 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccccn2)c1 170172422 FLLJBTPAXZSYNO-RUZDIDTESA-N 434.495 5.635 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccccc2F)cc1C 170248942 IEGABDPWGDWQTB-HSZRJFAPSA-N 447.462 5.021 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1cccc(O)c1 170259715 KERQVONXDKEYID-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C(C)C)c3)=C(O)C(=O)N2C2CCCC2)cc1 170268576 YXQLZEYWPBGYDK-VWLOTQADSA-N 447.575 5.902 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCC)c1 170323682 OSVFVNJRPRADLV-DEOSSOPVSA-N 429.516 5.617 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2c[nH]c3ccccc23)cc1Cl 170384339 VMNPDSSGWJGNPE-OAQYLSRUSA-N 448.931 5.974 30 10 IKEE Cc1cccc([C@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2ccc(Oc3ccccc3)cc2)c1 170461051 LCBSNKUDJWEKST-DEOSSOPVSA-N 427.500 5.912 30 10 IKEE Cc1ccc(C(=O)CSc2nsc(Nc3cc(Cl)ccc3C)c2C#N)c(C)c1 247898042 YDTZKYSHGXZOON-UHFFFAOYSA-N 427.982 6.312 30 10 IKEE CCCCCOc1ccc(C(=O)Oc2ccc(C=Nc3ccc4c(c3)OCO4)cc2)cc1 254313261 QVGHANQHPKNYGD-UHFFFAOYSA-N 431.488 5.954 30 10 IKEE CSC1=NC(=Nc2c(C)cccc2C)C2(CCCCC2)N1c1cccc(C(F)(F)F)c1 254838074 DNYKXEIGTZGLEE-UHFFFAOYSA-N 445.554 7.294 30 10 IKEE CCCCCCCCOC[C@@H](O)CNCCCN(Cc1ccccc1)Cc1ccccc1 390701315 LYXYVGIGTIYAGO-NDEPHWFRSA-N 440.672 5.407 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(Cl)cc2)c1OC 526607021 LYMFYKZLVUOVGP-JOCHJYFZSA-N 446.890 5.286 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)Nc3ccc(C)c(C)c3)C2)c1 585880405 NYFHBCHVCDTUSJ-XMMPIXPASA-N 448.611 5.567 30 10 IKEE CC(C)c1ccc(/C=C/C(=O)[C@@H]2C[C@@H](NC(=O)Nc3ccc(C(C)(C)C)cc3)CCN2)cc1 586091378 QWNQCDOYCOTQDX-JTSAIOHISA-N 447.623 5.632 30 10 IKEE Cc1ccc(NN=C2C(=O)N(Cc3cccc4ccccc34)c3ccccc32)cc1Cl 1084341022 XPUIZGBXYIOELI-UHFFFAOYSA-N 425.919 6.165 30 10 IKEE Cc1ccccc1/C=N\N=C1/S/C(=C\c2ccc(Cl)cc2)C(=O)N1Cc1ccco1 1554646766 LXTRFIAHLLSXRW-VBARTGPDSA-N 435.936 5.748 30 10 IKEE CCN1/C(=N/c2ccc(C)cc2)S[CH][C@@H]1c1ccc(S(=O)(=O)N2CCCCC2)cc1 1614593169 INGXYEXGNNDUFC-PDWGEAQMSA-N 442.630 5.129 30 10 IKEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1CCCC1(C)C 1705482150 TXASPOVKJKCZRZ-HOTGVXAUSA-N 445.405 5.000 30 10 IKEE COc1ccc(/C(C)=C2\SC(=Nc3cccnc3Cl)N(c3ccccc3)C2=O)cc1 1772732257 DBFNSLYGKSHSOS-OIYMOPNQSA-N 435.936 5.942 30 10 IKEE CN1C(=O)/C(=C/C(Cl)=C/c2ccccc2)SC1=Nc1nc(-c2ccccc2)cs1 1772736397 JFZGEKGLDWXPMH-GPBXXIHCSA-N 437.977 6.167 30 10 IKEE Cc1c(N=Nc2cc(Cl)ccc2Cl)c(O)n([C@H](C)c2ccccc2)c(=O)c1C#N 1772740142 CFCBDGVLDWNJMA-CYBMUJFWSA-N 427.291 6.066 30 10 IKEE Fc1cccc(NC(=S)N/N=C\c2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)c1 1857810967 GJIKTOPRKAPXQZ-WGARJPEWSA-N 449.942 5.652 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CC(C)C)cc1 1862406661 VEKIQYVVRDXHJH-QHCPKHFHSA-N 437.536 5.027 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2cccs2)cc1 1862431896 QXOABZFWTUYLRU-NRFANRHFSA-N 437.948 5.742 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc2ccccc12 1862449054 AWEGUPHZCVXJJA-HSZRJFAPSA-N 433.935 6.262 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(OCCC)c1 1862449855 UIPNKIRUOFLQII-QFIPXVFZSA-N 441.955 5.897 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862478039 XQZNQACTZNZLKO-VWLOTQADSA-N 436.511 5.297 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2cccc3ccccc23)c1 1862494117 FTRHUFSMYRBPMK-SANMLTNESA-N 448.522 5.630 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)c1 1862498304 FKEYVABEYVUTQF-FQEVSTJZSA-N 432.347 5.845 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)(C)C)cc2)ccc1F 1862505071 JQZGEOAVCUPABG-QHCPKHFHSA-N 447.506 5.803 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cccc2ccccc12 1862506223 XOTRBWCBCUSRIS-VWLOTQADSA-N 445.534 6.446 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc2cc[nH]c2c1 1862584299 VENINNIOXSZMBM-LJQANCHMSA-N 429.303 5.463 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@@H]1c1cccc(Cl)c1)c1cccc(O)c1 1862591526 ILFHEKKLMKQEOV-JOCHJYFZSA-N 437.923 5.514 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(C(C)(C)C)cc2)=C(O)C(=O)N1C[C@@H]1CCCO1 1862614107 XYYSHGGVHNBCRO-NZQKXSOJSA-N 433.548 5.050 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862623000 QHCHOZDUMGVJBO-HOYKHHGWSA-N 449.591 6.150 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccc(O)cc2)c1 1862650473 WWFDGJQDEQWYJE-SANMLTNESA-N 449.506 5.632 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C(C)C)c1 1862655408 HVPBGQFLVMQWRA-DEOSSOPVSA-N 429.516 5.615 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1 1862722225 OEMRVDQVDIYOJJ-SANMLTNESA-N 446.506 5.527 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(C(C)C)c(C)c3)C2=O)cc1C 1862881156 ZDPLLECYJXOODM-UHFFFAOYSA-N 449.554 6.004 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2F)=C(c2ccc(Cl)cc2)C1=O 1863165859 FZJKHIBADRWQNT-UHFFFAOYSA-N 428.935 6.032 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2cccc(C)c2)=C(c2cc(C)ccc2C)C1=O 1863741597 QDBPKURPSCHWJG-UHFFFAOYSA-N 432.608 5.842 30 10 IKEE N#Cc1cccc(NC(=O)[C@@H](NC(=O)[C@H](c2ccc(Cl)cc2)C2CC2)c2ccccc2)c1 1867003056 ZXOWIOVRFYNUOQ-ZEQRLZLVSA-N 443.934 5.201 30 10 IKEE CCCCCCCCn1cc(OCCCc2ccccc2)c(=O)cc1CSCCO 1870192182 HYYJTWASYVUIQX-UHFFFAOYSA-N 431.642 5.446 30 10 IKEE C#CCOc1cn(CCc2c[nH]c3ccccc23)c(CNc2ccc(C(C)C)cc2)cc1=O 1871006480 INOAMEKDKYJASA-UHFFFAOYSA-N 439.559 5.320 30 10 IKEE CCCCCCCCn1cc(OCCC)c(=O)cc1CNc1ccc(NC(C)=O)cc1 1871105033 DDJSFJCJWBTFMR-UHFFFAOYSA-N 427.589 5.568 30 10 IKEE O=C1/C(=C/c2ccc3c(c2)OCO3)Oc2c1ccc1c2CN(CCC2=CCCCC2)CO1 1871349540 QNLIMTOZMXVBQB-CFRMEGHHSA-N 431.488 5.074 30 10 IKEE Cc1c(OC(=O)c2cccc(OCC(C)C)c2)ccc2c1O/C(=C\c1cccc(F)c1)C2=O 1871381574 WRYOXBNLNXATAL-CFRMEGHHSA-N 446.474 6.004 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2sccc2C)C3=O)c1 1871390187 KCILDYZXOMZHQL-MOSHPQCFSA-N 448.496 5.516 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCCOc4cccc(C)c4)cc(C)c3C2=O)c(OC)c1 1871408432 WURXVCZKRPWGLD-QFEZKATASA-N 446.499 5.395 30 10 IKEE Cc1c(OCCC(=O)OCCC(C)C)ccc2c1O/C(=C\c1ccc(N(C)C)cc1)C2=O 1871429066 HCRBTEGQFKRLHY-KQWNVCNZSA-N 437.536 5.035 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1ccc2c(c1)O/C(=C\c1ccccc1OC)C2=O 1871435175 YLUDJRIMZFKNQX-SSHUPFPWSA-N 438.520 5.592 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O 1871457755 WYUMLWFEHDDCLP-YVNNLAQVSA-N 437.854 5.421 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc2c1C(=O)/C(=C/c1ccco1)O2 1871457956 HMAVDTMNFLKZEE-OCKHKDLRSA-N 444.270 5.529 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc2c(c1C)O/C(=C\C=C\c1ccccc1)C2=O 1871458586 CZMFJZYNISEUCP-JPDAZOMVSA-N 439.511 5.747 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)c1 1871460209 AIAOSPUFMZRCHN-FMCGGJTJSA-N 431.463 5.385 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Nc2ccccc2)cc1)C(C)C)S(=O)(=O)CCC 1872144048 CQZBTDYZIKTBMH-HSZRJFAPSA-N 443.613 5.011 30 10 IKEE C=CCN([C@H](C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)c1ccccc1)S(C)(=O)=O 1872338099 HKYDPLREMMNFFV-QHCPKHFHSA-N 428.598 5.061 30 10 IKEE COc1cccc(OC)c1C(=O)[C@@H](C#N)c1nc(-c2cccc(Br)c2)cs1 1872763141 FXHHVCLMIZHSFO-CQSZACIVSA-N 443.322 5.080 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(OC)cc3OC)n2)cc1 1872768216 MSJCGFSAEWHVOF-GPVYEGESSA-N 434.517 5.116 30 10 IKEE CC(C)c1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 1872774263 MDTGSSCJOSMGMH-MRSBXDGLSA-N 430.529 5.594 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)/C=C/c2ccc(C)cc2)n1 1872777015 DIMFRBFFKBMMHZ-ACUNGTFPSA-N 430.573 6.314 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)CCCOc3c(C)cccc3C)n2)cc1C 1872787829 SJGOYTYYYWWKKY-OAQYLSRUSA-N 448.588 6.088 30 10 IKEE CCCCN(CC)CC(=O)[C@H](C#N)c1nc(-c2ccc(Br)cc2)c(C)s1 1872800257 PLFHDAQHEDVTHG-KRWDZBQOSA-N 434.403 5.179 30 10 IKEE CCOc1cc(/C=N/n2c(S)nnc2C(C)C)ccc1OCc1cccc(Cl)c1 1873500758 CBRNMQXBZVHCDN-FSJBWODESA-N 430.961 5.204 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(-c3ccccc3C)cc1)n2CCC 1873613010 SNKCZFNJBGVPAM-UHFFFAOYSA-N 425.536 5.667 30 10 IKEE CCCCCCc1c(C)c2ccc(O[C@@H](C)C(=O)Nc3ccc(C#N)cc3)c(C)c2oc1=O 1873864704 UTZDRCZLVNIMEZ-IBGZPJMESA-N 446.547 5.810 30 10 IKEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3ccc(C(C)C)c(C)c3)c(=O)oc2c1 1873913826 LAXODOZBTJKRQX-UHFFFAOYSA-N 433.548 6.059 30 10 IKEE CCCSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1ccccc1C 1874209922 XSQBNNQYMQLKIY-HYARGMPZSA-N 429.387 5.324 30 10 IKEE Cc1cccc(C)c1OCCCc1nnc(SCc2ccccc2)n1/N=C/c1ccco1 1874225346 GKUKNLDWJFOWJX-YZSQISJMSA-N 446.576 5.674 30 10 IKEE C=CCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc(Cl)cc1 1874232839 TXAQDLGWXKXGBW-YZSQISJMSA-N 432.980 6.030 30 10 IKEE Fc1cccc(CSc2nnc(CC34CC5CC(CC(C5)C3)C4)n2/N=C/c2ccc[nH]2)c1 1874244321 ZKOVAHAIIOQZPN-RWPZCVJISA-N 449.599 5.679 30 10 IKEE Fc1ccc(F)c(OCc2nnc(SCc3ccccc3)n2/N=C/c2cccs2)c1 1874261466 TUHBKBHDTUFSSS-WYMPLXKRSA-N 442.516 5.371 30 10 IKEE CCCCC1CCC(c2nnc(SCC)n2/N=C/c2ccc(C(C)(C)C)cc2)CC1 1874284946 HMZDVERQLGYJEM-NLRVBDNBSA-N 426.674 7.034 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(OC)cc2)n1/N=C/c1cccc(Cl)c1 1874305648 HUEFKIMKMSMLEA-ZVHZXABRSA-N 426.973 5.276 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(F)cc3)n2/N=C/c2cccc(C)c2)cc1 1874377515 ZYFNGDIOCHDMAA-JVWAILMASA-N 430.552 5.799 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(C)c3)n2/N=C/c2cccc(O)c2)cc1 1874388647 WVSFDOGIFGWNLE-WGOQTCKBSA-N 428.561 5.366 30 10 IKEE Fc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccc(F)cc2)cc1 1874406773 VSPJYGIGQZSYQZ-CVKSISIWSA-N 426.536 5.854 30 10 IKEE Fc1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2c[nH]c3ccccc23)cc1 1874421111 VQUZLPAIEQFIQC-DHRITJCHSA-N 433.537 5.802 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2ccccc2C)c1 1874480922 HRZJBALZNXSAMA-AFUMVMLFSA-N 435.597 5.114 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CC(C)C)nnc2SCCc2ccccc2)cc1 1874490570 XRTHOYUHZQRZHV-LGUFXXKBSA-N 436.625 5.873 30 10 IKEE Sc1nnc(C2CCC2)n1/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1 1874559286 IUGYMDPNUDMTLE-FOKLQQMPSA-N 433.364 5.602 30 10 IKEE CCc1ccc(C(=O)/C=C/c2c(OCC(=O)Nc3ccccc3)ccc3ccccc23)cc1 1874572807 GULBOHNXFLBNLP-ISLYRVAYSA-N 435.523 6.316 30 10 IKEE CCc1ccc(C(=O)/C=C/c2c(OCc3c(F)cccc3Cl)ccc3ccccc23)cc1 1874573157 YNKMLZXETVRQGI-FOCLMDBBSA-N 444.933 7.670 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Br)ccc2OCCc2ccccc2)cc1 1874575005 PYCOGBIZUSLUGJ-UKTHLTGXSA-N 437.333 5.975 30 10 IKEE C=C(C)COc1ccc(Br)cc1/C=C/C(=O)c1cccc(Br)c1 1874576047 USTIXYVVZBOCKE-SOFGYWHQSA-N 436.143 6.063 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Br)ccc2OCc2ccccc2C)c(C)c1 1874579055 UNVJHDUJKUCDKF-FMIVXFBMSA-N 435.361 6.849 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(F)cc1 1874583746 DWIPXXWVXLCTIS-CCEZHUSRSA-N 433.523 5.902 30 10 IKEE C=C(C)COc1c(OC)ccc(/C=C/C(=O)c2ccc(OC)c(C)c2)c1Br 1874593565 PZLWUFWQHMFYHJ-RMKNXTFCSA-N 431.326 5.626 30 10 IKEE CCOC(=O)c1ccc(COc2cc(/C=C/C(=O)c3ccccc3Cl)ccc2OC)o1 1874595002 OXSFIOZXQSIDMA-DHZHZOJOSA-N 440.879 5.593 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OCc1c(Cl)cccc1Cl 1874596271 RFOVMKXGOGBDSU-PKNBQFBNSA-N 441.354 7.094 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCc3nc(O)c4ccccc4n3)c2)c(C)c1C 1874598202 AIODSIHHYYGMGQ-ACCUITESSA-N 440.499 5.436 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3C)c([N+](=O)[O-])c2)cc1OC 1874602789 DUYBDZIOFUQXHM-DHZHZOJOSA-N 433.460 5.396 30 10 IKEE O=C(/C=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)c1ccc([N+](=O)[O-])cc1 1874610678 FSUAPZNZAVDGSY-AWNIVKPZSA-N 428.271 6.377 30 10 IKEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1Br 1874617909 ZQCCUYJYBOLYKO-RMKNXTFCSA-N 431.326 5.294 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OCc1ccc(Cl)cc1 1874625547 KBDXFVKMYDKQND-VGOFMYFVSA-N 436.910 6.691 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCc3cc(C)ccc3C)c([N+](=O)[O-])c2)cc1C 1874636814 UAVULRZGUYYAKO-CSKARUKUSA-N 445.515 6.312 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2cc(Cl)ccc2Cl)c1)c1ccc2ccccc2c1 1874692537 LYGAXTIRTIGFSO-MDWZMJQESA-N 447.317 7.262 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3cc(Cl)ccc3Cl)c2)c(C)c1 1874702147 JIFDZYPZBWTVIZ-YRNVUSSQSA-N 439.338 6.654 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(OC)cc3)c2)cc1 1874702265 WILBVLIODHDXHR-CXUHLZMHSA-N 430.500 5.528 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)Cc3ccccc3OC)c2)cc1C 1874718091 ROKAQDLSQUJLJX-OUKQBFOZSA-N 430.500 5.365 30 10 IKEE CCCCCCCCC(=O)N1[C@H](C(C)(C)C)CSc2nnc(CCc3ccccc3)n21 1874971037 KQFWHIYAFGLVQY-NRFANRHFSA-N 442.673 5.799 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc([N+](=O)[O-])c1OC(=O)CC(C)C 1875095635 ZVIMUNIDXADRGP-FMIVXFBMSA-N 447.487 5.994 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1ccc(Cl)cc1 1875098402 AINUAKUAPMTNRL-MKMNVTDBSA-N 446.930 6.343 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)ccc1OC(=O)c1cccs1 1875099425 IGSNAJOTLBZPQR-JXMROGBWSA-N 438.501 5.279 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cccc(OC)c2)cc1Cl 1875102142 NPRRZAMOEVQOLB-FYWRMAATSA-N 428.956 6.901 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc(OC)c3)cc2[N+](=O)[O-])cc1 1875102524 VHBLUDQJFWPPCA-UKTHLTGXSA-N 431.444 5.281 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc(Cl)ccc3OC)cc2)cc1 1875105763 LAAPVCZQRFHYLX-MHWRWJLKSA-N 448.946 6.807 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OC(=O)Cc1ccc(C)c(C)c1 1875112885 MGZBIJLBKJPHKQ-RIYZIHGNSA-N 444.527 5.755 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3Cl)cc2[N+](=O)[O-])cc1C 1875113525 LMGDQJDAMSLUKX-PKNBQFBNSA-N 449.890 5.909 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)cc1 1875117710 IPLVHMKDNYWGLK-XEGGGDOUSA-N 432.903 5.954 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2)cc1 1875122959 PWAQAGNRZKWXIW-FZSIALSZSA-N 436.891 5.619 30 10 IKEE CSCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1Br 1875134750 IWDPFKIKQZQCDT-JXMROGBWSA-N 447.394 6.011 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])cc1 1875136046 URJATASAOKKKIL-MKMNVTDBSA-N 431.444 5.417 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)cc1 1875137495 PAYOAKVGDTZPLD-GIDUJCDVSA-N 445.471 5.807 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3OC)cc2)c(OC)c1 1875143703 MRZYGPRYRJTZLM-MDWZMJQESA-N 446.499 5.065 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC(=O)CCc1ccccc1 1875144045 CREQUAZYVNDHNX-JLHYYAGUSA-N 430.500 5.447 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3ccc(/C=C/C(=O)c4ccc(F)c(F)c4)cc3)c(C)c2c1 1875161734 FEIVNOZCZRFVIP-WUXMJOGZSA-N 431.438 6.178 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] 1875162175 AROZZJWFVDVXGD-UXBLZVDNSA-N 429.419 5.645 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)ccc1OC(=O)c1ccccn1 1875182078 LRTKDMXOPLHOBD-VQHVLOKHSA-N 437.879 5.176 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc(C)cc(C)c3)cc2)c2ccccc12 1875190277 KSDFSRRASHTAFG-GXDHUFHOSA-N 436.507 6.581 30 10 IKEE CC#CCCCC[C@H](NCC)c1cc(Br)ccc1I 1885230503 XFFYYKJDGSSTKE-INIZCTEOSA-N 434.159 5.288 30 10 IKEE CC(C)CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(C4(C#N)CC4)cc3)ccc21 1891350240 YDDNHXKAOGHZPY-UHFFFAOYSA-N 445.563 5.292 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](Cc2cc(Cl)c(C)c(Br)c2)NC)C1 1892691840 QGMQZWRKXMHECQ-KRWDZBQOSA-N 443.813 5.155 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCCC)c2c(F)cccc2Br)C1 1892692243 VKVZPSZVEMSLAE-KRWDZBQOSA-N 427.358 5.242 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1nc(CNC(=O)OC(C)(C)C)sc1C 1922068399 IILPTTZCXIVGFS-NRFANRHFSA-N 445.629 5.290 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](O)c1ccc(Cl)c(Br)c1 1922069881 UWUUVIMBGKBWSW-NHCUHLMSSA-N 438.793 5.277 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](CNC(=O)OC(C)(C)C)C1CCCC1 1922125503 NJPAZCQEMCNQHV-RPWUZVMVSA-N 430.633 5.459 30 10 IKEE C[C@@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)[C@H](OCc2ccccc2)C1 1998819096 QQKAARZSXXUQPF-ROSOWXQZSA-N 426.601 6.224 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C1(C)C 2005327268 DUKRYIRMYUHXLV-BXKMTCNYSA-N 435.609 5.389 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@H]1[C@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C)NCCC 2007959578 XFMQEFZXAYMPMV-ZJZGAYNASA-N 428.617 5.306 30 10 IKEE C[C@H](N(Cc1ccccc1)Cc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2034765401 WMFQZCDUFHSAAA-IBGZPJMESA-N 425.397 5.562 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(Cc3ccccc3)[C@@H](C)C2)cc1 2037530015 YYIILTZXDZMDJV-FNZWTVRRSA-N 435.568 5.384 30 10 IKEE CC(C)(C)OC(=O)N1CCC(C[C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)CC1 2045574403 GSJCNUHUEDPTPP-HXUWFJFHSA-N 447.551 5.497 30 10 IKEE C=CCCC[C@H](NC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071358342 OPUSTCYEJYUSGE-LSYYVWMOSA-N 431.576 5.822 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)cc1 2077947220 DYYRZLCJFCIQGR-UXHICEINSA-N 443.588 5.664 30 10 IKEE Cc1nn([C@H](c2ccc(C(C)C)cc2)C2CCC2)c(I)c1C=NO 2079882637 ZFXJGKYATLTMSJ-SFHVURJKSA-N 437.325 5.117 30 10 IKEE CC[C@H](c1c(C)cc(C)cc1C)n1nc(C(C)C)c(C=NO)c1I 2079998068 LSRUUQCWWGZAKH-MRXNPFEDSA-N 439.341 5.344 30 10 IKEE CC(C)c1cc(C(F)(F)F)ccc1-c1cc(N)n2nc(C3CCCCC3)c(C#N)c2n1 2081215973 ZHCIJAXMUBLCEL-UHFFFAOYSA-N 427.474 6.040 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CC[C@H]2[C@@H](C1)C2(F)F 2090783808 BMUCGFSJSILUTP-HDMKZQKVSA-N 427.289 5.518 30 10 IKEE C#Cc1ccc(CNc2cc(Br)c(Br)c(Br)c2)cc1 2101674965 JHYZVAQDZSQCCJ-UHFFFAOYSA-N 443.964 5.568 30 10 IKEE CC1(C)OB(C=C2CCN(Cc3cccc(Br)c3Cl)CC2)OC1(C)C 2110461350 PHEVBQDGZAKPOF-UHFFFAOYSA-N 426.591 5.256 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)c(C)c(Br)c1)NCC 2111272045 GMUYCKVMAUINOK-MSOLQXFVSA-N 445.829 5.401 30 10 IKEE CC(C)[C@H]1CC=C(C(=O)c2cc(I)ccc2Br)CC1 2125181914 XSXTWVUNELWTAG-NSHDSACASA-N 433.127 5.619 30 10 IKEE CC(C)C[C@H]1CNCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2149840311 DGJBJDQYCYUZDP-HRAATJIYSA-N 436.394 5.109 30 10 IKEE CC(C)C[C@H]1CNCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2149840314 DGJBJDQYCYUZDP-KKSFZXQISA-N 436.394 5.109 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(Nc3cc(Br)ccc3C#N)CCCCC[C@H]12 2162345042 YVRLAFUIEGGHIK-RXVVDRJESA-N 434.378 5.445 30 10 IKEE CC1(C)OB(c2ccccc2OCc2ccc(Cl)c(Br)c2F)OC1(C)C 2166758420 VFILYIAOEUPALI-UHFFFAOYSA-N 441.533 5.120 30 10 IKEE Cn1cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)c(C(F)F)n1 2178749634 FHHABLZIKCGCIB-AWEZNQCLSA-N 441.276 5.127 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCC)c2cc(C)c(Br)cc2C)C1 2201070183 FPEBNTBDQNQRDR-LJQANCHMSA-N 437.422 5.578 30 10 IKEE C=CC1CC(CO)(N(C(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(F)cc2)C1 2211070407 XRXBQHQHADNOST-UHFFFAOYSA-N 443.518 5.908 30 10 IKEE C=C(C)CC[C@H](NCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229119749 GFFPYULGFVRFHV-RBUKOAKNSA-N 425.411 5.219 30 10 IKEE Cc1sc(C(=O)C=Cc2ccc(NC(=O)OC(C)(C)C)cc2)c(Br)c1C 2229316624 YJHGXPBDTGWUDY-UHFFFAOYSA-N 436.371 6.371 30 10 IKEE C#CC[C@H](C)CN(C)C(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2243924627 JKMMRAKXFFEAJB-FNZWTVRRSA-N 446.591 5.058 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)c1cc(C)c(Br)s1 2262208435 XUCNGAZFGWBRNS-SFHVURJKSA-N 425.344 5.124 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(Nc2ccccc2Br)C[C@H]2CCCC[C@H]21 2279688667 PCOVZQFTJMZGOR-FPDPHYFHSA-N 434.378 5.323 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)[C@@]2(C#N)Nc1ccc(Br)cc1 2285815596 SYADBNGSPSIYLC-QTTKSITFSA-N 434.378 5.227 30 10 IKEE C#CCN1C(=O)SC(=Cc2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)C1=O 2294143979 ZFBOJNLGBOGCPG-UHFFFAOYSA-N 448.327 5.251 30 10 IKEE O=C(N=C1c2ccccc2CN1c1ccccc1C(F)(F)F)Nc1ccc(Cl)cc1 2295072277 KMJHEEQPCAWWDB-UHFFFAOYSA-N 429.829 6.358 30 10 IKEE CC(C)[C@@H](CCNC(=O)OC(C)(C)C)CC[C@H](O)C#Cc1cccc(Br)c1 2296226550 GPKSRSQZNNCTFO-UYAOXDASSA-N 438.406 5.129 30 10 IKEE O=C1C(=O)N(Cc2ccco2)[C@@H](c2ccccc2Cl)C1=C(O)c1ccc(Cl)cc1 2296285350 WFFZWQJUYCGRDV-IBGZPJMESA-N 428.271 5.208 30 10 IKEE CCN(CC)c1ccc(C=C(C(=O)c2ccc(OC)cc2)c2nc3ccccc3o2)cc1 2296696377 QMWPTFQSFOYQBC-UHFFFAOYSA-N 426.516 6.106 30 10 IKEE COC(=O)c1ccc(COc2ccc3c(c2)OC(=Cc2c(F)cccc2Cl)C3=O)cc1 2296865153 QUZVRGOKRCQNPD-UHFFFAOYSA-N 438.838 5.461 30 10 IKEE CCCCO[C@@H]1Oc2ccc(Cl)cc2C(=O)C1=CN=c1[nH]c2c(Cl)cccc2s1 2297532675 SKSDCHASVYFOLE-HXUWFJFHSA-N 449.359 5.739 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2Cc2cccnc2)cc1 2297741806 TUTRMMMLFJNFFY-QHCPKHFHSA-N 426.516 5.001 30 10 IKEE Cc1cc(OCc2c(Cl)cccc2Cl)cc2c1C(=O)C(=Cc1ccccc1Cl)O2 2321773187 GKGAXXFMVHDPTH-UHFFFAOYSA-N 445.729 7.150 30 10 IKEE COc1cccc(C=CC(=O)c2ccc3ccccc3c2)c1OCc1c(F)cccc1Cl 2322328488 ZWLMHQKBGHQPKD-UHFFFAOYSA-N 446.905 7.116 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2cc(C)cc(C)c2)cc1OC 2322346848 XWVPSAFOHQEQCD-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(C(C)C)cc1)C3=O)CN(Cc1ccccc1F)CO2 2322350338 JPVHSZLFZWZXMN-UHFFFAOYSA-N 443.518 6.226 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(N(C)C)cc1)C3=O)CN(Cc1ccccc1F)CO2 2322350408 HZMQJYDPWXUASO-UHFFFAOYSA-N 444.506 5.168 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(Br)cc2)c1OCc1ccc(F)cc1 2322430165 IFLMBYKMQOCSSC-UHFFFAOYSA-N 441.296 6.072 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(Cl)cc2)c1OCc1ccccc1Cl 2322528653 SEINRMDJGSKQAB-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2cccc3ccccc23)c(C)c1 2322572869 GCMGUYYIAXVLDZ-UHFFFAOYSA-N 426.943 7.585 30 10 IKEE COc1cccc(C=CC(=O)c2c(C)cc(C)cc2C)c1OCc1cccc2ccccc12 2322952756 USZKGZWWSNPOSN-UHFFFAOYSA-N 436.551 7.249 30 10 IKEE CC(=O)Nc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C)cc2)C3=O)c1 2322961440 UWIWNAXPVUVBMH-UHFFFAOYSA-N 427.456 5.097 30 10 IKEE CCc1ccccc1NC(=O)COc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC 2323126449 SQHKYVBMDYOVQR-UHFFFAOYSA-N 449.934 5.825 30 10 IKEE O=C(C=Cc1ccc(Br)cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 2323168836 GXRGUGVYYMVRBP-UHFFFAOYSA-N 434.333 5.260 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2cccc(OCc3cccc(Cl)c3)c2)cc1Cl 2323306735 BYEIDHSTSUOFRQ-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE CCCOc1ccccc1C=CC(=O)Oc1ccc2c(c1)OC(=Cc1cccs1)C2=O 2323341431 XZFXYTSCKSLVER-UHFFFAOYSA-N 432.497 5.772 30 10 IKEE CCOc1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccccn2)C3=O)cc1 2323512016 RJVRVKWCHNGWKF-UHFFFAOYSA-N 427.456 5.024 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OCC(=O)Nc1cccc(C)c1C 2323808758 WCDAMNCCABFYMX-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OCC(=O)Nc1nccs1 2323959640 ABANDDUIQPGFNO-UHFFFAOYSA-N 436.533 5.072 30 10 IKEE CCCCN(CCCC)Cc1c(O)cc(C)c2c1OC(=Cc1c(F)cccc1Cl)C2=O 2324077883 RTIAOAKTABHVCN-UHFFFAOYSA-N 445.962 6.512 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)OC(C)C)cc2c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O2 2324305581 LLYRBZNUEXBJRC-ZDUSSCGKSA-N 435.303 5.637 30 10 IKEE Cc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)OC(=CC=Cc1ccccc1)C2=O 2324412878 BEMLVEYPEUHBTA-HXUWFJFHSA-N 439.511 5.882 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)c(OC)c1 2324464946 BUUMARKHPNOJDF-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2F)C3=O)cc1 2324521396 SZHYTEZAEIDEDX-MRXNPFEDSA-N 447.462 5.247 30 10 IKEE CC(C)OC(=O)c1ccc(COc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2324599296 PMDJCPHXPSUNAX-UHFFFAOYSA-N 448.902 6.100 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OCC(=O)Nc3c(C)cccc3C)cc(C)c2C1=O 2325501065 MRHPNUASRRQMPV-UHFFFAOYSA-N 427.500 5.554 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4cccc(Cl)c4)cc(C)c3C2=O)cc1 2325717154 CJHDTQYRDNRZID-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)OCO4)c2)cc1 2325747608 PAFMSCCYHDFVGT-UHFFFAOYSA-N 428.484 5.828 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3cccc(C=CC(=O)c4cccc5ccccc45)c3)c(C)c2c1 2325750167 KMJRTYUXPBIGFA-UHFFFAOYSA-N 445.518 7.053 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2cccc(OC(=O)c3sccc3C)c2)cc1Cl 2325759587 YZHMCWZENSSLSU-UHFFFAOYSA-N 442.920 5.842 30 10 IKEE CCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1N=Cc1ccc(F)cc1 2325817407 GHKAVXOBAAEQLQ-UHFFFAOYSA-N 442.560 5.297 30 10 IKEE CCSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1sccc1C 2325883192 FLTSVQROOVZTJO-UHFFFAOYSA-N 436.606 5.807 30 10 IKEE CCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1cccc(OCC)c1 2326331517 BMVATMRZXJHYTA-UHFFFAOYSA-N 436.625 6.101 30 10 IKEE CCOc1ccc(C=Nn2c(CCc3cccc4ccccc34)nnc2SC)cc1OC 2326566231 LFXLANUYIGRKIR-UHFFFAOYSA-N 446.576 5.228 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1c(O)ccc2ccccc12 2326570000 KUBOCZMLZOOUTE-UHFFFAOYSA-N 440.931 5.666 30 10 IKEE CN(C)c1ccc(C=Nn2c(CCc3cccs3)nnc2SCc2ccccc2)cc1 2329663626 JWFJELPBPMGQRJ-UHFFFAOYSA-N 447.633 5.365 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccccc3)n2N=Cc2ccc(O)cc2)c1 2329898436 XWSAGUJCJKIOPF-UHFFFAOYSA-N 430.533 5.046 30 10 IKEE Fc1ccc(C=Nn2c(Cc3cccs3)nnc2SCCc2ccccc2)c(F)c1 2330396109 JGTVNQITFATTEZ-UHFFFAOYSA-N 440.544 5.426 30 10 IKEE Oc1cccc(C=Nn2c(Cc3cccs3)nnc2SCc2ccccc2Cl)c1 2330396559 RSDOBYFTMTZPBB-UHFFFAOYSA-N 440.981 5.464 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)c(F)c3)c(Cl)c2)cc1 2330747594 LWBFITQRPNGBJM-UHFFFAOYSA-N 426.846 6.296 30 10 IKEE C[C@H](C(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccccc1 2330805443 PDAQSMPOPZPFGH-INIZCTEOSA-N 425.311 6.599 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)c3ccccc3)c(OC)c2)cc1 2330850931 CREFFTLDLJKLBM-NRFANRHFSA-N 442.555 6.643 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Br)cc2)cc(Cl)c1OC(=O)C1CCC1 2330881180 LZKBNIWHGPCQID-UHFFFAOYSA-N 449.728 5.713 30 10 IKEE C[C@@H](C(=O)Oc1ccc(C=CC(=O)c2ccccc2)cc1Br)c1ccccc1 2331169196 IXEGINAFAUGMCV-QGZVFWFLSA-N 435.317 6.054 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccco3)n2N=Cc2ccccc2[N+](=O)[O-])c1 2331208316 QBPZNCJWGBFZMB-UHFFFAOYSA-N 433.493 5.238 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)c1cc2ccccc2n1C 2331331133 WHULWEKQBOOTKF-UHFFFAOYSA-N 439.511 5.919 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)COc3c(C)ccc(C)c3C)cc2)ccc1F 2331332860 VLYUKAYOFTTXAD-UHFFFAOYSA-N 432.491 5.940 30 10 IKEE Cc1ccccc1C=Nn1c(SCC(=O)Nc2cccc(C)c2C)nnc1C1CCC1 2331488815 AHEWFWMAQHDRDJ-UHFFFAOYSA-N 433.581 5.084 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)cc2OC)cc1 2331657454 LENBKJUEUCBCFZ-UHFFFAOYSA-N 444.527 6.053 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2ccc(C(C)C)cc2)c1C 2331675652 CWTFNGSZDPQAOL-UHFFFAOYSA-N 449.624 5.755 30 10 IKEE COc1cc(C=Nn2c(SCc3cccc(F)c3)nnc2C2CC2)ccc1OC(C)C 2331734263 CNONLPVUYCWTDX-UHFFFAOYSA-N 440.544 5.265 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)c1ccc(C)cc1 2331767560 PDIPAPULFQHROC-UHFFFAOYSA-N 444.527 6.053 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2cccc(C)c2)c(Cl)c1 2331876656 YCPGBHLWNSPNDN-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE C[C@H]1CCN(Cc2ccccc2)C[C@H]1Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339574606 KIOJYSXRLYFELY-HRKNJWBZSA-N 433.405 5.049 30 10 IKEE CC[C@H](N[C@H]1C[C@@H](OCc2ccccc2)C1(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363836330 MDOQLDDPNFQKFY-CCDWMCETSA-N 449.444 5.410 30 10 IKEE CN(Cc1sccc1Br)c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2365048801 OWBSWWCPMIBWHF-UHFFFAOYSA-N 435.196 5.187 30 10 IKEE COc1ccc(Oc2cccc3c2C(=O)/C(=C/c2ccc(C)cc2)[C@H]3c2ccccc2)cc1 3133491 JYQLFXRCUAMMQO-QWYUUOJISA-N 432.519 7.208 30 10 IKEE Cc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(SCc4cccc(Cl)c4)nn32)cc1 9856496 JOFRKQLKNDNFEO-NRFANRHFSA-N 436.968 5.554 30 10 IKEE COc1ccc(-c2csc(NN=C3C[C@@H](c4ccccc4)Oc4ccc(C)cc43)n2)cc1 13814904 YVCXIROPPVUFHA-VWLOTQADSA-N 441.556 6.467 30 10 IKEE C=CCN1C(=O)[C@@H](CC(=O)c2ccc(Cl)c(C)c2)S/C1=N\c1cccc2ccccc12 15055331 AMVRFIJTMOCWSY-YXTXPOHNSA-N 448.975 6.192 30 10 IKEE CCN(CC)CCn1c(/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nc2ccccc21 15773656 XIPMLJBDPOIJRW-VUTHCHCSSA-N 448.655 6.429 30 10 IKEE N#CC1(c2ccc(NC(=O)c3sc4c([N+](=O)[O-])cccc4c3Cl)cc2)CCCC1 20498086 KCVYDIDONLCVOP-UHFFFAOYSA-N 425.897 6.051 30 10 IKEE CSc1cccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)c1 21722932 RAKVWSBFRPGOKR-DEOSSOPVSA-N 445.544 6.214 30 10 IKEE CCCn1cc(CN/C(=N/C(=O)c2ccc(C(C)(C)C)cc2)Nc2cccc(F)c2)c(C)n1 32973036 RFERGAGNIXMXOR-UHFFFAOYSA-N 449.574 5.436 30 10 IKEE Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cccc(Cl)c1 33676794 NSOBBJQCNCGRDY-LJQANCHMSA-N 429.734 6.863 30 10 IKEE C=CCCC(O)(CCC=C)c1ccc(CN(Cc2cccc(F)c2)C[C@@H]2CCCO2)o1 36203030 AQDKFJAETBTABE-QHCPKHFHSA-N 427.560 5.720 30 10 IKEE C[C@H]1C[C@H](C)CN(Cc2c(O)ccc3c2O/C(=C/c2ccc(Cl)cc2Cl)C3=O)C1 37857795 ASMRQDHESBTGRW-CQLFWDNVSA-N 432.347 5.793 30 10 IKEE CCOc1ccc2oc(C)c(C(=O)Oc3ccc4c(c3)O/C(=C\c3ccccc3)C4=O)c2c1 38320874 WVDSHKNXBTWCAD-CFRMEGHHSA-N 440.451 5.975 30 10 IKEE CCCOc1ccc([C@H]2C(C(C)=O)=C(C)Nc3nc(SCc4ccccc4)nn32)cc1 54642192 SXAUMEGLHORWBY-QFIPXVFZSA-N 434.565 5.237 30 10 IKEE Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc2nc(SCc3ccccc3)sc2c1 59502672 MCPYWFCFYQGROH-BHGWPJFGSA-N 445.396 7.352 30 10 IKEE O=C(Nc1ccccc1)c1c(/N=C/c2cccc(Cl)c2Cl)sc2c1CCCC2 59676474 MHEAENAEUYQRJA-DHRITJCHSA-N 429.372 6.937 30 10 IKEE C=CCn1c(CNc2cccc3ccccc23)nnc1S[C@H](C)c1nnc(C(C)C)o1 59877775 YWLOEXIQDBKHGC-MRXNPFEDSA-N 434.569 5.589 30 10 IKEE Clc1ccc(Cn2c(/C=N\C(c3ccccc3)c3ccccc3)nc3ccccc32)cc1 100400485 CWYUIMJMVFULBD-FSGOGVSDSA-N 435.958 6.947 30 10 IKEE CCCCCCCCCn1c([C@@H](Sc2ccccc2)c2ccccc2)nc2ccccc21 101262301 BBCGYTCCEOZQSS-NDEPHWFRSA-N 442.672 8.669 30 10 IKEE N#Cc1sc(-c2cc(Br)c(Br)s2)c(-c2cccnc2)c1N 128582053 CGONHMWOGNRQCW-UHFFFAOYSA-N 441.173 5.517 30 10 IKEE CC(C)Oc1ccc(S(=O)(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 169906231 WHCSFJKAGXKTFC-MFKUBSTISA-N 446.613 5.087 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2ccc(C)cc2C)c1 169935158 MVYQVNLGTADIOC-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(OC(C)C)cc1 169978815 NWBOAJFSOANQFE-DEOSSOPVSA-N 447.531 5.989 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(O)c(Cl)c2)cc1C 170043873 KYTJIWYTFOMWRD-OAQYLSRUSA-N 425.912 5.183 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 170057493 ANSFUSRAROFLCM-HXUWFJFHSA-N 442.273 5.915 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1ccc(F)cc1 170064472 BBWCVUNLMYASTC-HSZRJFAPSA-N 437.417 5.206 30 10 IKEE Cc1ccc(C2=C(Nc3cc(Cl)ccc3C)C(=O)N(c3ccc(C#N)cc3)C2=O)c(C)c1 170146087 AFVLNCNFFMSOFS-UHFFFAOYSA-N 441.918 5.534 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccncc2)c1 170209259 JKGQRDKFJCKESW-QHCPKHFHSA-N 434.536 5.027 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccccc2)cc1 170224856 JZNATHJYKZSMIG-VWLOTQADSA-N 439.511 5.357 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccccc2)cc1 170228155 CQSOQMIJNVNZAF-DEOSSOPVSA-N 427.500 5.485 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccccc2)cc1C 170228559 USDBTIKJVXXMRO-XMMPIXPASA-N 438.483 5.048 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@@H]1c1ccc(Cl)cc1 170236338 CLPWAXJDFQCECY-QFIPXVFZSA-N 441.955 5.769 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1ccc(Cl)cc1 170236626 LZNKWHCDQRILGK-QFIPXVFZSA-N 441.955 5.896 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2F)cc1 170253595 FQQYDAFMPFBPSR-HSZRJFAPSA-N 437.511 5.381 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cn(C)c2ccccc12 170269210 KWFLJGTVRXFFLK-RUZDIDTESA-N 442.559 5.436 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccc2C)c1 170271407 OAAOMIZOKMMEHW-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccco1 170281538 OHHQHZHPVYEMIC-JOCHJYFZSA-N 449.478 5.508 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C(C)(C)C)ccc3C)[C@H]2c2ccco2)c1 170283077 YPKICORNOJDOOD-HSZRJFAPSA-N 429.516 5.977 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc(OCC(C)C)c3)=C(O)C(=O)N2c2ccc(F)cc2)o1 170299589 VVWNNZZWDPGUGM-QHCPKHFHSA-N 449.478 5.545 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccc(C)o2)c1 170299929 UGEAQHSPFLTXSC-HSZRJFAPSA-N 431.488 5.386 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccc(C)o2)c1 170301976 IVVDQEBZDKFSGZ-DEOSSOPVSA-N 445.515 5.777 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2cccc(Cl)c2)o1 170303339 MSRDBDSSPVCRHN-NRFANRHFSA-N 432.863 5.506 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(Cl)c3)[C@@H]2c2ccc(C)o2)cc1 170303840 LHDSEYKUROMBIW-FQEVSTJZSA-N 442.298 5.986 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2c2ccccc2C)o1 170305470 LXNCEHBKZQGMBT-DEOSSOPVSA-N 427.500 5.558 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccc(F)cc2F)o1 170305865 UZGMURYYJZYBDE-HXUWFJFHSA-N 427.378 5.097 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@H]1c1ccc(C)o1 170309720 QDFZEUGIOKWCKA-XMMPIXPASA-N 445.515 5.464 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1Cc1cccs1 170312543 RKUVXAGVZSGRJV-NRFANRHFSA-N 449.597 5.775 30 10 IKEE CC(C)=C[C@H](OC(=O)C/C(C)=N/[C@@H](C)c1cccc2ccccc12)C(Cl)(Cl)Cl 199039532 ORNBOXYSTGJJJQ-ZIHJSPIMSA-N 440.798 7.000 30 10 IKEE CCOCCN1C(=O)/C(=C\c2ccc(-c3cccc(F)c3)o2)SC1=Nc1ccccc1 252594365 BRYNBLNOQPNQEA-IZYVNPKQSA-N 436.508 5.726 30 10 IKEE O=[N+]([O-])c1ccc(O)c(C=Nc2ccc3oc(-c4cccc(Br)c4)nc3c2)c1 252617121 KMSCPNCYRAMNTM-UHFFFAOYSA-N 438.237 5.622 30 10 IKEE CCCCCCCCCCCCOC(=O)/C=C/c1ccc(C=Nc2ccc(O)cc2)cc1 254348186 AYHIVNPGXMQGOA-MHFHKINYSA-N 435.608 7.620 30 10 IKEE CN(C)C(=O)Oc1ccc(/C=C2/SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc1 254412422 VOQLMDVYDIFDIX-HWIZRRTMSA-N 443.528 5.556 30 10 IKEE Cc1ccc2nc(-c3ccc(N=Cc4cc(C)n(-c5ccccc5F)c4C)cc3)sc2c1 254523196 ZYIUFUPASMVIPD-UHFFFAOYSA-N 439.559 7.569 30 10 IKEE CCOC(=O)C(=NNc1ccccc1)Sc1nnc(-c2ccccc2)n1-c1ccccc1 254706301 PIRUPNNSVZWTTA-UHFFFAOYSA-N 443.532 5.015 30 10 IKEE N#CC1(Nc2ccc(Cl)c(Br)c2)CCN(C(=O)OCc2ccccc2)CC1 306075361 YVVOWZGBMSVMFJ-UHFFFAOYSA-N 448.748 5.209 30 10 IKEE C#C[C@@H]1O[C@H](C)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 396454157 OOSYYPHMRPRIRG-OZPZFEBSSA-N 442.555 5.163 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(C)cc2)c1 526488434 ONMCFFRJFJESDT-AREMUKBSSA-N 438.527 6.103 30 10 IKEE CCOc1ccc([C@H]2C(c3cccc(OCC)c3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526490267 VCVICKQDSZBZGX-VWLOTQADSA-N 440.499 5.413 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1cc(Cl)c(O)c(Cl)c1 526806116 YOJKRICVLZSJSO-MSXFZWOLSA-N 449.407 6.116 30 10 IKEE C=C(C)CN(c1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccc(Br)cc1 586205798 BMSZRRKUSBCCFV-UHFFFAOYSA-N 449.414 5.211 30 10 IKEE CCOc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2cccc3ccccc23)cc1 586255825 ZQAUPOPKOCAHRG-UHFFFAOYSA-N 442.540 5.506 30 10 IKEE C=CCN(CC=C)C(=O)Nc1cccc(OC(=O)/C=C/c2ccc(Cl)cc2Cl)c1 586521922 QYKZQVMEQNGQAF-PKNBQFBNSA-N 431.319 5.818 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1ccc2c(c1)OCO2 698444083 LFBMMGHZXBTKAC-MRXNPFEDSA-N 431.286 5.184 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 698468157 GYGNSWQOZDEAJL-UUOWRZLLSA-N 429.561 5.276 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccc(Br)c(C)c1 698483140 ANCIJRSQRSNEGW-SFHVURJKSA-N 431.330 5.773 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2ccc(Cl)c(Br)c2)cc1 698853819 UTVYZPCKVBYDHL-GOSISDBHSA-N 435.749 6.417 30 10 IKEE CCCN(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(Br)cc(Br)c1 698968439 NQDCTLMBSHUVBQ-CQSZACIVSA-N 432.156 5.423 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1scnc1Cl 713492047 IXJINWCETRTGRN-LBPRGKRZSA-N 428.739 5.565 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 724025255 DZYVKMYNHXIZNB-OSPHWJPCSA-N 445.560 5.166 30 10 IKEE C#Cc1cccc(NC(=S)/C(=C(/O)c2cccc(Br)c2)[n+]2ccccc2)c1 726573817 RHHZYBQXLAGNJN-UHFFFAOYSA-O 436.354 5.041 30 10 IKEE COc1ccc2ccccc2c1C=Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 1084006276 YLHQKLHGGTZTBY-UHFFFAOYSA-N 434.492 5.539 30 10 IKEE CN1C(=O)C[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)SC1=Nc1cccc(Cl)c1 1084308532 HYSJYZDKYVRAEN-HNNXBMFYSA-N 442.755 5.237 30 10 IKEE CCN(CC)c1ccc(N=Cc2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)cc1 1084400935 WKXGNPBFXQZHPW-UHFFFAOYSA-N 433.508 5.087 30 10 IKEE COc1ccc(/C=C2\SC(=Nc3cccc(C(=O)O)c3)N(C3CCCCC3)C2=O)cc1 1772738992 ZJXBPXHWRZWRCP-NGZUUMTHSA-N 436.533 5.330 30 10 IKEE OCc1nc(-c2c(F)c(F)c(F)c(F)c2F)ccc1-c1c(F)c(F)c(F)c(F)c1F 1848358625 QEABLKGMZJPNTO-UHFFFAOYSA-N 441.224 5.299 30 10 IKEE N#Cc1ccc(NC(=O)c2cc(-c3ccccc3)n(Cc3ccc(Cl)c(Cl)c3)n2)cc1 1859379747 BLXREPWNAAIBSH-UHFFFAOYSA-N 447.325 6.029 30 10 IKEE CCCSc1ccccc1C(=O)Nc1c(C#N)cnn1-c1cc(C)c2cccc(C)c2n1 1859657014 NOUWBHIBXUGJNZ-UHFFFAOYSA-N 441.560 5.663 30 10 IKEE COc1cc(/C=C/C(=O)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccccc1 1860728966 ZYBDRWACJGOFBM-FMIVXFBMSA-N 435.907 5.457 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc(F)cc2F)cc1 1862395769 YCSZLIJUVQXSEI-QHCPKHFHSA-N 441.518 5.932 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2cccc(Cl)c2)cc1C 1862403181 POEWODSEDGQWCB-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C 1862405211 MSYNDKAGJJMZHR-XMMPIXPASA-N 449.591 5.926 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc(C)c1 1862429522 PGLCMHJAEKMRDV-AUSIDOKSSA-N 439.983 6.586 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(N(CC)CC)cc1 1862440141 SRIHAOBTADIOLJ-ZHRRBRCNSA-N 440.971 5.563 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862451109 XCEQYRYAZNOLKC-XIKOKIGWSA-N 437.845 5.736 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2CC(C)C)cc1 1862462149 VYPRRSWREIFYKL-OAQYLSRUSA-N 447.453 5.127 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)cc1 1862474400 MWZLPTUXNKOOSC-HSZRJFAPSA-N 433.454 5.094 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1 1862477136 SQVCVXDYRUVKLG-FYYLOGMGSA-N 439.983 6.586 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2cccc([N+](=O)[O-])c2)c1 1862491789 BUAZNQMVHVQJDQ-QHCPKHFHSA-N 448.519 5.513 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(C(C)C)cc2)ccc1F 1862504608 YBNVWNREFIMKNP-DEOSSOPVSA-N 435.539 6.169 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(C(=O)O)cc1 1862533608 MEHSIVWNGNBZEN-JOCHJYFZSA-N 435.520 5.106 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(O)cc1 1862544501 FMLXXQYFUKXBPE-XMMPIXPASA-N 433.548 5.430 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cc(Cl)cc(Cl)c1 1862552829 CWQXIJWCCWGWSS-OAQYLSRUSA-N 444.358 5.861 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2cc(C)ccc2C)cc1 1862590396 IBIMMFPMZLZPRG-RUZDIDTESA-N 441.527 5.350 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCCc2ccccc2)[C@@H]1c1ccccc1F)c1cccc(O)c1 1862590465 JHVMSUKUSJBILC-XMMPIXPASA-N 445.490 5.133 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2cccc(F)c2)cc1 1862614963 GETXGCAHBUEUID-QHCPKHFHSA-N 444.506 5.297 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 1862618479 DSBDFOAGXFWRTM-JOCHJYFZSA-N 448.519 5.413 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccccc2F)cc1 1862661324 DKWDUWQQWTVJKX-AVRWGWEMSA-N 443.518 6.289 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)c1 1862737031 RGHNANMKIJCHLJ-SAWYMBPVSA-N 434.492 5.060 30 10 IKEE Cc1ccc(NC2=C(c3ccc(Cl)c(Cl)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862911152 DUDOLCBFOJWNKK-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3cccc4cccnc34)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1863030652 KBJOZHJLSWHYJB-UHFFFAOYSA-N 444.494 5.120 30 10 IKEE N#Cc1ccc(NC2=C(c3ccccc3Cl)C(=O)N(c3cccc4ccccc34)C2=O)cc1 1863072443 OCIYWZAANLAXTF-UHFFFAOYSA-N 449.897 5.761 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)c(F)c2)=C(c2ccccc2F)C1=O 1863301096 ORZNNHIRNZGOTO-UHFFFAOYSA-N 430.470 5.656 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(OCC(C)C)cc2)=C(c2cc(Cl)ccc2Cl)C1=O 1863385337 LDTINEWPQTYSKC-UHFFFAOYSA-N 445.346 5.406 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccccn2)=C(c2ccc(OC)cc2)C1=O 1863672142 DBBZBKHFPOQBRK-UHFFFAOYSA-N 449.595 5.101 30 10 IKEE N#Cc1cnn(-c2ccccc2F)c1NC(=O)c1c2c(nc3c(Cl)cccc13)CCCC2 1866275366 JTJUUWXVFFEUEB-UHFFFAOYSA-N 445.885 5.216 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N1[C@H]2CCCC[C@H]2[C@H]2CCCC[C@H]21 1866342526 OIEVPQUPYILDBG-FXCIUYFGSA-N 445.776 9.208 30 10 IKEE CC(C)[C@@H](CC(=O)N[C@@H](C(=O)Nc1ccccc1C#N)c1ccccc1)c1ccc(F)cc1 1866749234 RCXYHQIINQCCIT-ZEQKJWHPSA-N 443.522 5.323 30 10 IKEE CCCCCCCCCCNC(=O)C[C@H](c1ccc(F)cc1)c1ccc(OC)c(OC)c1 1868195904 BZUGJWBNEUYHFQ-XMMPIXPASA-N 443.603 6.622 30 10 IKEE CCCCCCCCn1cc(OCCCCCC)c(=O)cc1CSc1ccccc1 1870186369 IQAHHCNXIDHKHY-UHFFFAOYSA-N 429.670 7.460 30 10 IKEE CCCCCCCCCCn1cc(OCC(C)C)c(=O)cc1CN1C[C@H](C)C[C@@H](C)C1 1870436629 CKCUUIXVTFHJQT-DNQXCXABSA-N 432.693 6.502 30 10 IKEE CCCCCCCCCCn1cc(OCCCCC)c(=O)cc1CN1CCC(C)CC1 1870678899 PWDDTGUVBXBZOP-UHFFFAOYSA-N 432.693 6.790 30 10 IKEE C=CCOc1cn(Cc2cccc(C)c2)c(CNc2ccc(OCCCC)cc2)cc1=O 1870809631 NGTDWOQYTUKPAD-UHFFFAOYSA-N 432.564 5.561 30 10 IKEE C=CCOc1cn(CCC2=CCCCC2)c(CNc2cc(NC(C)=O)ccc2C)cc1=O 1870813385 JBRZPBDWKLBHIV-UHFFFAOYSA-N 435.568 5.183 30 10 IKEE C=CCn1cc(OCCCCOc2ccccc2C)c(=O)cc1CNc1ccc(C)cc1C 1871227848 IFFNFPNSUNKDOW-UHFFFAOYSA-N 446.591 5.810 30 10 IKEE CCCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(-c2ccccc2)cc1)C3=O 1871346331 AERPQBDZMCVGHJ-ONUIUJJFSA-N 425.528 6.312 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O3)CN(CCCn1ccnc1)CO2 1871348802 AIQXKDRLAOCDJN-OYKKKHCWSA-N 443.547 5.173 30 10 IKEE Cc1ccc(C)c(CN2COc3ccc4c(c3C2)O/C(=C\c2ccccc2Cl)C4=O)c1 1871349405 SAMHLGCRXQXBKJ-MSXFZWOLSA-N 431.919 5.925 30 10 IKEE Cc1c(OC(=O)/C=C/c2ccco2)ccc2c1O/C(=C\c1ccc(Cl)cc1Cl)C2=O 1871369594 SYRSTHDFBWJORZ-FJEAZPSFSA-N 441.266 6.130 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)CCCOc4ccccc4C)cc(C)c3C2=O)o1 1871370894 FUYZTDASRXEACS-UCQKPKSFSA-N 432.472 5.586 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)cc(C)c3C2=O)o1 1871382980 IZGJNLHCBAEQEE-FMCGGJTJSA-N 432.472 5.767 30 10 IKEE Cc1c(O[C@@H](C)C(=O)Nc2ccc(F)cc2)ccc2c1O/C(=C\c1cccc(F)c1)C2=O 1871400693 INOZAHBOTRWNAX-PXNCGERRSA-N 435.426 5.295 30 10 IKEE CCn1cc(/C=C2\Oc3cc(O[C@@H](C)C(=O)OC(C)C)cc(C)c3C2=O)c2ccccc21 1871400891 NWDHNYOVYAKMKL-QWUOEIFBSA-N 433.504 5.305 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871405047 BIJUWURPKCKCAZ-QCYAWUEASA-N 427.500 5.634 30 10 IKEE CCCCCCCCCOc1cc(C)c2c(c1)O/C(=C\c1cn(C)c3ccccc13)C2=O 1871429895 SIWIJCNMROQLAC-ONUIUJJFSA-N 431.576 7.232 30 10 IKEE CCOC(=O)c1ccc(COc2ccc3c(c2C)O/C(=C\c2ccc(Cl)cc2)C3=O)o1 1871439343 UIDXGLZMABAPOC-MTJSOVHGSA-N 438.863 5.613 30 10 IKEE CC(C)=C1Oc2c(ccc(OCC(=O)Nc3ccc(Oc4ccccc4)cc3)c2C)C1=O 1871459062 NHRNQGRTHFKNOV-UHFFFAOYSA-N 429.472 5.674 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(F)cc1)C2=O 1871459173 VADXFGUSUIKTJM-UCQKPKSFSA-N 431.463 5.330 30 10 IKEE CCCCCCCCN=c1nc(N(CCC)CCCC)[nH]c(=Nc2ccccc2C)[nH]1 1871479805 GAEYCMPPQWAFJY-UHFFFAOYSA-N 426.653 5.556 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4ccccc4)cc3)n2)cc1 1872770143 KYCVWKKSVPKUSR-DEOSSOPVSA-N 438.552 6.756 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(Cc3ccccc3)cc1)n2CC(C)C 1873612932 PLLGYFKPEMZFRR-UHFFFAOYSA-N 439.563 5.528 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2/N=C/c2cccc(OCC)c2)CC1 1874287556 LDAKKIYUHUAXOQ-XIEYBQDHSA-N 428.646 6.525 30 10 IKEE Cc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SCC(=O)Nc2cc(C)cc(C)c2)c1 1874439127 LKXUNAVOJBGDEL-CVKSISIWSA-N 449.624 5.405 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874440783 SRYIDVHSLFAUHH-YDZHTSKRSA-N 443.960 5.603 30 10 IKEE Cc1ccc(CSc2nnc([C@H]3CCCO3)n2/N=C/c2cccc3ccccc23)cc1 1874441765 IOBDKEOHSQVGFQ-VUEBRRCKSA-N 428.561 5.766 30 10 IKEE Cc1cccc(CSc2nnc([C@H]3CCCO3)n2/N=C/c2ccc(C(F)(F)F)cc2)c1 1874447616 HBBKAXGQSIGESI-KXQYEYADSA-N 446.498 5.631 30 10 IKEE Oc1ccc(Cl)cc1/C=N/n1c(SCc2cccc(Cl)c2)nnc1[C@H]1CCCO1 1874450462 BXVVPDKNDPKMDW-TYLRVVQJSA-N 449.363 5.317 30 10 IKEE Oc1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2Cl)nnc1C1CCCC1 1874457317 KXMQIGIMNPNQKA-WYMPLXKRSA-N 447.391 6.123 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccccc1O 1874492627 WMYAWPKZAJXTFU-FOKLQQMPSA-N 435.380 5.664 30 10 IKEE CCOC(=O)c1ccc(COc2ccccc2/C=C/C(=O)c2ccc3ccccc3c2)o1 1874571271 DXMSLLQJKAGROX-FYWRMAATSA-N 426.468 6.085 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2F)cc1 1874572432 MXYCIFFRFHNLAZ-ACCUITESSA-N 437.898 5.955 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2c(OCc3cccc(C)c3)ccc3ccccc23)cc1 1874580141 ZHSYRYUWDKZPEY-WUKNDPDISA-N 436.551 7.412 30 10 IKEE O=C(COc1ccccc1/C=C/C(=O)c1cccc2ccccc12)Nc1ccc(F)cc1 1874582420 NGKDBXQTSZOSFM-SFQUDFHCSA-N 425.459 5.893 30 10 IKEE CCCNC(=O)COc1c(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)cc1OC 1874582685 AYNBHNRFESYCAZ-FMIVXFBMSA-N 443.971 5.447 30 10 IKEE O=C(COc1cccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1)Nc1ccccc1 1874596644 WDPRTTUEVLBIOQ-FMIVXFBMSA-N 426.299 5.907 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(CC)cc2)cc1[N+](=O)[O-] 1874605016 OERNWFDUQUJSOK-UKTHLTGXSA-N 438.524 5.081 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OCC(=O)Nc1c(C)cccc1C 1874611957 ZHOLEYXWMRXQDS-WYMLVPIESA-N 445.515 5.234 30 10 IKEE C=C(C)COc1c(Br)cc(/C=C/C(=O)c2ccc(F)cc2F)cc1OCC 1874612758 KJVCHUPFXCCBHE-VMPITWQZSA-N 437.280 5.977 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(OCC)c(OC)c([N+](=O)[O-])c2)cc1OCCC 1874612872 PZGSOYPFUBTQIM-CSKARUKUSA-N 443.496 5.476 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2[N+](=O)[O-])o1 1874618392 YCZLYUVPPQYKIT-JXMROGBWSA-N 449.459 5.456 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc(Cl)c2)c(Cl)c1)c1ccc2c(c1)OCCO2 1874620861 XAQIJTAMLDSGOE-QPJJXVBHSA-N 441.310 6.240 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1ccc(Cl)cc1 1874622758 TZNWJBKRADBWFQ-LZYBPNLTSA-N 448.990 7.511 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc(OC)c1OCCCO 1874626986 GZADMOBWQCPGJU-ZHACJKMWSA-N 438.564 5.521 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(Cl)c(Cl)c2)c1)c1ccc(Cl)cc1 1874700844 PLQLFERQLATEHH-NYYWCZLTSA-N 431.702 6.762 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3c(OC)cccc3OC)c2)cc1 1874701579 ZNCWNQVCJXISNL-LFIBNONCSA-N 432.472 5.218 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cccc(OC(=O)CCc2ccc(Cl)cc2)c1 1874713459 XFGZXSBJRJSVEG-UKTHLTGXSA-N 448.946 6.400 30 10 IKEE CCCc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3c(C)cc(C)cc3C)c2)cc1 1874716218 IAHJTLRCZYUNQB-NTCAYCPXSA-N 442.555 6.445 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)COc3ccccc3OC)c2)cc1C 1874717867 MYHUUEBYQPJKGQ-OUKQBFOZSA-N 446.499 5.201 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1cccc(Cl)c1 1875124541 PXLJGDUUUJVQPS-ONNFQVAWSA-N 442.254 6.017 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)c1ccc(N(C)C)cc1 1875129127 MGTFBRUIWVJBSC-SFQUDFHCSA-N 441.527 5.605 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)c1ccccc1C 1875131831 PYGOSWHLVBXAPA-ACCUITESSA-N 430.500 5.744 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1ccc(F)cc1F 1875143685 LTVYCWFMEOBTFA-YCRREMRBSA-N 426.390 5.536 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3)c(Cl)c2)c1 1875145568 NADZQZKQRQGTBA-XCVCLJGOSA-N 440.854 5.612 30 10 IKEE Cc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)cc2Cl)c1 1875146371 RFCKTKJMZFAWNS-VMPITWQZSA-N 434.875 5.535 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)COc1ccccc1 1875150189 AXGFAEIJSUXHJY-MHWRWJLKSA-N 444.527 5.873 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1OC 1875150311 GWRWQRNQSYQYDS-CSKARUKUSA-N 444.911 5.849 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)C(C)(C)C)c(Cl)c1 1875160897 OKJZBHGXTHAQRP-DHZHZOJOSA-N 428.956 6.494 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1C(C)C 1875163664 WWEVFJVTSVSOLR-XNTDXEJSSA-N 428.528 6.551 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)COc3ccccc3)c([N+](=O)[O-])c2)c(C)c1 1875183129 LXUSRNUBFYHZIG-PKNBQFBNSA-N 445.471 5.401 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)CCOc1ccccc1 1875184534 FSTJEFPCFUIXAG-ZRDIBKRKSA-N 444.527 5.891 30 10 IKEE CC1(C)OB([C@@]23C[C@@H]2CCN(Cc2cc(Cl)cc(Br)c2)C3)OC1(C)C 1879796592 VSLVTWRCKOSERR-IFXJQAMLSA-N 426.591 5.161 30 10 IKEE N#Cc1cncc(C2=CCN(C(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)CC2)c1 1891247251 PUKLNMITHCCLDR-UHFFFAOYSA-N 433.433 5.569 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](O)c1sc(CC)cc1Br 1922053713 DXROFLHHTXKVLJ-PMACEKPBSA-N 438.431 5.248 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](CNC(=O)OC(C)(C)C)CC1CCCC1 1922086189 OIYDWNVFMADTAQ-LOSJGSFVSA-N 444.660 5.849 30 10 IKEE C=C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)(c1ccccc1)C(F)(F)C(=O)O 1927481639 HZFFBBSQBSOZAI-RUZDIDTESA-N 449.453 5.327 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@](C#N)(N(C(=O)OC(C)(C)C)C3CCCC3)CC[C@H]21 1940541325 JTQKMKRIEGQSON-YJLYGGOZSA-N 433.593 5.238 30 10 IKEE CC(C)(C)OC(=O)NCC[C@@H]1CCC[C@@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C1 1950516407 NOTVPJMLOFQESP-MGPUTAFESA-N 449.514 5.153 30 10 IKEE CC(C)(C)OC(=O)Nc1c(Br)cc(Br)cc1[C@H](C=O)C1CC1 1951915008 HJYYNJHPPWQEKT-GFCCVEGCSA-N 433.140 5.251 30 10 IKEE CC(C)(C)OC(=O)NC(C)(C)[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1991735324 FHBCXIVNSNOGLO-QFIPXVFZSA-N 437.968 5.667 30 10 IKEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 1999940792 FDJOVVXTZNHZEQ-UUOWRZLLSA-N 435.609 5.486 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@H]1c2ccsc2CCN1C(=O)OC(C)(C)C 2018277891 JEUDUNFFCKONKW-XZOQPEGZSA-N 442.625 5.334 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)[C@@H]1C(C)(C)C 2020139233 JXKLODNLMZPVIT-MHECFPHRSA-N 435.609 5.484 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1(C)C 2053051431 OXMZVQJTIIBOSC-AVRWGWEMSA-N 449.636 5.779 30 10 IKEE COc1ccc([C@H](n2nc(C(F)(F)F)c(C#N)c2Br)C(C)(C)C)c(F)c1 2080070336 CKBRCXGVFXDIKD-AWEZNQCLSA-N 434.231 5.319 30 10 IKEE CCCOc1ccc([C@H](C2CCC2)n2nc(C(C)(C)C)c(C=NO)c2Br)cc1 2080077328 CRYHYYVAPUBBCK-IBGZPJMESA-N 448.405 5.930 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(C)(C)Nc1cc(Br)cc(F)c1C#N 2107452060 YYIXCMUXBAGOKW-MRXNPFEDSA-N 426.330 5.050 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(Br)cc2C#N)c(F)c1 2181137715 SDVNPXJYWRUUIV-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CC[C@@]2(CCCOC2)C1 2185136373 XSAIFOFYYFQQIB-LEWJYISDSA-N 435.362 5.434 30 10 IKEE CCN[C@@H](C#CP(C)(C)=O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2218428551 RXLRRNOEBMLXSN-VWLOTQADSA-N 447.515 6.079 30 10 IKEE C=CCC1([C@@H](NCC)c2cc(Cl)c(Cl)c(Cl)c2)CN(C(=O)OC(C)(C)C)C1 2232512840 OWJDDZNFTCGYMT-KRWDZBQOSA-N 433.807 6.111 30 10 IKEE CN[C@H](C#Cc1ccccc1Br)CCC[C@@H](NC(=O)OC(C)(C)C)C(C)C 2235745310 BXZHOVMLDDVDBH-AZUAARDMSA-N 437.422 5.108 30 10 IKEE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)c1c(Br)cccc1C#N 2241650953 WUAQKNOVLUOLRR-UHFFFAOYSA-N 444.373 5.242 30 10 IKEE C=CC[C@]1(COc2ncc(C)cc2Br)CCCCN1C(=O)OC(C)(C)C 2272079001 AEJIFKXADKGBEG-HXUWFJFHSA-N 425.367 5.267 30 10 IKEE N#Cc1ccccc1COc1ccccc1C=C1SC(=O)N(c2ccc(Cl)cc2)C1=O 2293215419 STRXTFGYIJVORX-UHFFFAOYSA-N 446.915 6.032 30 10 IKEE CCN[C@@H](C#Cc1cccc(Br)c1)c1cccc(NC(=O)OC(C)(C)C)c1 2296215491 AULDSYOXWDPOEO-FQEVSTJZSA-N 429.358 5.498 30 10 IKEE COc1ccccc1C=CC=C1Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2C1=O 2296868572 XOJDZIHFUVXSQM-UHFFFAOYSA-N 432.859 5.740 30 10 IKEE CC(=C1SC(=Nc2nc(C)cs2)N(C2CCCCC2)C1=O)c1ccc(Cl)cc1 2314543611 IREXALMUGFUKTE-UHFFFAOYSA-N 432.014 6.432 30 10 IKEE Clc1cccc(CSc2nncn2N=Cc2ccccc2COc2ccccc2)c1 2318574556 NIGAOXLZQKWIPJ-UHFFFAOYSA-N 434.952 5.685 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(SCc2cccc(Cl)c2)nnc1C1CC1 2320886959 ILPRLVDAVQWBED-UHFFFAOYSA-N 426.973 5.771 30 10 IKEE CC(C)(C)Oc1ccc(CN2COc3ccc4c(c3C2)OC(=Cc2ccccc2)C4=O)cc1 2321908275 XQQQVLGZMFDKHQ-UHFFFAOYSA-N 441.527 5.832 30 10 IKEE Cc1ccccc1CCc1nnc(S)n1N=Cc1ccc(OCc2ccccc2)cc1 2321993788 CMDTVYDQNGDNNB-UHFFFAOYSA-N 428.561 5.122 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(Cl)cc1Cl)C3=O)CN(CCCN(C)C)CO2 2322335673 LNCYTTPYMWAZJI-UHFFFAOYSA-N 447.362 5.022 30 10 IKEE COc1cccc(C=C2Oc3c(cc4c(c3C)OCN([C@@H](C)c3ccccc3)C4)C2=O)c1 2322371255 JKYLFYLYGIFMBU-SFHVURJKSA-N 427.500 5.533 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc(F)cc1 2322748703 WUXDPRFEAUKQSC-UHFFFAOYSA-N 437.898 5.955 30 10 IKEE COc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCc1c(F)cccc1Cl 2323098119 ZITVXPQDSMQSFB-UHFFFAOYSA-N 441.842 5.871 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OCC(=O)Nc2ccc(C)cc2)c1 2323332154 BMIJLXKBAJFDBE-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2Cl)C3=O)cc1[N+](=O)[O-] 2323332272 PMMNJLOFZMMHAV-UHFFFAOYSA-N 449.846 5.700 30 10 IKEE CCOc1cc(C=NNc2nc(-c3ccc(OC)c(OC)c3)cs2)cc(Cl)c1OC 2323840307 LEYHSCKUJQQPKX-UHFFFAOYSA-N 447.944 5.334 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OCC)cc2)cc(OC)c1OCc1cccc(C)c1 2323840546 POQMIXGIYZRSKS-UHFFFAOYSA-N 442.555 6.606 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OCC(=O)N[C@H](C)c1ccccc1 2323959851 QJHUMMNBECCABE-OAQYLSRUSA-N 443.543 5.464 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2323987215 AXCLOWHYDAWCSU-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3c(ccc(O)c3CN3CCCc4ccccc43)C2=O)cc1 2324023753 VNZMGNVRFSTMNZ-UHFFFAOYSA-N 439.555 6.259 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OCCOc4ccccc4)ccc3C2=O)cc1 2324220673 UDEFEQKXSCMVLX-UHFFFAOYSA-N 429.516 5.607 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2sccc2C)C3=O)cc1 2324381008 XCHOQKUSFQFKBR-KRWDZBQOSA-N 433.529 5.696 30 10 IKEE Cc1ccccc1OCCCCOc1ccc2c(c1C)OC(=Cc1cccc(Cl)c1)C2=O 2324598921 GGULNCZMIKYMIN-UHFFFAOYSA-N 448.946 6.811 30 10 IKEE C(=Nn1c(CCc2ccccc2)nnc1SCc1ccccc1)c1c[nH]c2ccccc12 2325448583 DFZRILGETKQKJA-UHFFFAOYSA-N 437.572 5.719 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCC(=O)Nc4cccc(C)c4)ccc3C2=O)cc1 2325726856 YQPPDPPMBRYPSN-UHFFFAOYSA-N 429.472 5.027 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)CC34CC5CC(CC(C5)C3)C4)c2)cc1C 2325760582 QXAJORQCKVJVDH-UHFFFAOYSA-N 428.572 6.711 30 10 IKEE COc1cccc(OCC(=O)Oc2cccc(C=CC(=O)c3cc(C)c(OC)cc3C)c2)c1 2325771483 IBPFGSUMLUFURR-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE CCCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1N=Cc1cccnc1 2325860168 ASZYWFPZKVHLLH-UHFFFAOYSA-N 437.613 5.367 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1ccc(OCC)c(OC)c1 2326414412 ZTBXRJBIANIJFC-UHFFFAOYSA-N 438.597 5.429 30 10 IKEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(O)c(Cl)c1 2326489504 RROLTLZMHDUNHS-UHFFFAOYSA-N 427.744 5.427 30 10 IKEE C=CCOc1ccccc1C=Nn1c(COc2ccc(Cl)cc2)nnc1SCC 2327540942 VDCBEIPTFMFHBV-UHFFFAOYSA-N 428.945 5.070 30 10 IKEE CCCOc1ccccc1C=Nn1c(COc2ccccc2Cl)nnc1SCC 2327635787 BKCMUGCWQVDVPL-UHFFFAOYSA-N 430.961 5.294 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(OCC)c(OC)c1 2329576789 BANAKVAUMVQKTK-UHFFFAOYSA-N 442.972 5.556 30 10 IKEE CCc1ccc(C=Nn2c(Cc3ccccc3F)nnc2SCCc2ccccc2)cc1 2329750525 SJAYLIKZWFZHCM-UHFFFAOYSA-N 444.579 5.787 30 10 IKEE CCc1ccc(C=Nn2c(SCc3ccccc3F)nnc2[C@@H](C)c2ccccc2)cc1 2330109219 QMZBNPVJEVVFMY-IBGZPJMESA-N 444.579 6.306 30 10 IKEE COc1ccccc1C=Nn1c(CC2CCCCC2)nnc1SCc1ccc(F)cc1 2330234240 LRDWJWKSQJDJNI-UHFFFAOYSA-N 438.572 5.723 30 10 IKEE Cn1cc(OCc2ccccc2)c(=O)cc1CON=C(c1ccc2c(c1)CCCC2)C1CC1 2330309970 DARRQEBURRKCFW-UHFFFAOYSA-N 442.559 5.174 30 10 IKEE Cc1ccc(CSc2nnc(-c3cccs3)n2N=Cc2c[nH]c3ccccc23)cc1 2330530334 HYVDKLULSOQFSF-UHFFFAOYSA-N 429.574 5.971 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(CC)cc2)cc(OC)c1OC(=O)c1cnc(C)cn1 2330766931 MJSAQMWTEVAFEF-UHFFFAOYSA-N 442.515 5.200 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCSC)c(OC)c2)cc1 2330850928 BQPWXWJCERVRPS-UHFFFAOYSA-N 426.578 5.983 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc4cc(Cl)ccc4n3)cc2)cc1 2330952868 ANOZTXBGYKLJFO-UHFFFAOYSA-N 443.886 6.012 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2)c(Br)c1)c1cccc(Cl)c1 2331123587 STWPDEVCNCOFOS-UHFFFAOYSA-N 441.708 6.218 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc(Cl)c2)cc1)c1ccc(Cl)c(Cl)c1 2331240106 RBGVEALKQNLLCL-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)COCc1ccccc1 2331260651 VZVMYOHKZXWWKT-UHFFFAOYSA-N 446.499 5.031 30 10 IKEE CCCOc1ccc(C=Nn2c(CCOC)nnc2SCc2cc(C)ccc2C)cc1 2331286663 WMFMGHHDSQEGHQ-UHFFFAOYSA-N 438.597 5.047 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2Br)cc1 2331319954 FVKDCSDQGSVSOU-UHFFFAOYSA-N 449.344 6.490 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3F)c([N+](=O)[O-])c2)c1 2331322619 UFYOEPUBLABCFK-UHFFFAOYSA-N 433.435 5.395 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])cc1 2331527482 BUJRTJHSCWIDJH-UHFFFAOYSA-N 435.407 5.248 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1c(F)cccc1Cl 2331571292 NUIGLRBNQMZJCP-UHFFFAOYSA-N 446.808 5.881 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)CCOc1ccccc1 2331715304 JDWCITOSZYBAQQ-UHFFFAOYSA-N 430.500 5.583 30 10 IKEE CCCN[C@H](C#CC1CCC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2337419873 OKRKEEPOSAXRKA-MUUNZHRXSA-N 439.599 6.689 30 10 IKEE C[C@@H](CCCN(C)C(=O)OC(C)(C)C)Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339576035 CWGPBUDHPGOPAQ-JJJPLKNQSA-N 445.413 5.174 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2ccc(C#N)c(Br)c2F)C[C@H]2CCC[C@H]21 2360232468 QHRKHTMPXNQUMW-IVMMDQJWSA-N 438.341 5.050 30 10 IKEE CC(C)(C)OC(=O)N[C@@]1(C)C[C@H]2CC[C@H]1C[C@H]2Nc1ccc(Br)cc1C#N 2380857463 WFJNKURCBZZLSZ-UOUNVNTQSA-N 434.378 5.205 30 10 IKEE COc1ccc(Oc2cccc3c2C(=O)/C(=C/c2ccc(C)cc2)[C@@H]3c2ccccc2)cc1 3133493 JYQLFXRCUAMMQO-QVOHLBINSA-N 432.519 7.208 30 10 IKEE C=CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N/c1cc(C#N)ccc1NCC 12412112 XBJPMINCFMFMCY-KRWISNKQSA-N 447.589 5.150 30 10 IKEE COc1cc(Br)c(C(=O)/C=C/c2c3ccccc3cc3ccccc23)cc1OC 20228013 GPGGMJQDYZPYIF-VAWYXSNFSA-N 447.328 6.669 30 10 IKEE COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(F)cc2)c1 21259613 YTQILNWGOWTVSW-CBZJRKILSA-N 444.506 5.822 30 10 IKEE CCn1cc(/C(O)=N/c2nc(-c3ccc(Cl)cc3)cs2)c(=O)c2cc(Cl)ccc21 32607908 FPRRPIFOGRNEEB-UHFFFAOYSA-N 444.343 6.088 30 10 IKEE CCn1nc(C)c(CN/C(=N/C(=O)c2cccc(C)c2)Nc2cccc(Cl)c2C)c1C 32971877 SDBRFRUGUNTVOX-UHFFFAOYSA-N 437.975 5.188 30 10 IKEE COc1cccc(C(=O)Oc2cccc(/C=C\C(=O)c3ccc(-c4ccccc4)cc3)c2)c1 34954580 CACPBOCBLCAWJD-AQTBWJFISA-N 434.491 6.478 30 10 IKEE C=CCOc1cccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccccc2)c1 39825681 LXQCKUBKZOTFSD-DEOSSOPVSA-N 441.458 5.242 30 10 IKEE Cc1cc(C)cc(-n2c(C)cc3c2CC(C)(C)C/C3=N\OC(=O)c2ccc(Cl)cc2)c1 39853174 BWQKDLKJRNIHGV-WEMUOSSPSA-N 434.967 6.589 30 10 IKEE CC/C(=N/Nc1nc(SCC(=O)Nc2ccc([C@H](C)CC)cc2)n[nH]1)c1ccccc1 59020483 ZWGKKONVJOMBIT-DEZIIBQTSA-N 436.585 5.275 30 10 IKEE C=Cc1ccc(COc2cc(C)c3c(c2)O/C(=C\c2ccc(N(CC)CC)cc2)C3=O)cc1 62957606 ZJHOTVXDFHHKAD-PKAZHMFMSA-N 439.555 6.679 30 10 IKEE COc1ccc(Br)cc1/C=C\C(=O)c1ccc(OC(=O)c2cccs2)cc1 98025190 XRHGQZQIQFRREW-POHAHGRESA-N 443.318 5.635 30 10 IKEE CC(C)(C)c1cc(Br)ccc1OCC(=O)N(CCC#N)CCc1ccccc1 100438120 WKXHQECLCWSQBE-UHFFFAOYSA-N 443.385 5.110 30 10 IKEE CCCCCCCOc1c(Cl)cc(C(=O)Nc2cc(Cl)ccc2Cl)cc1Cl 101138320 BEVCOEFVFDEWLI-UHFFFAOYSA-N 449.205 7.902 30 10 IKEE CCCCCCCn1c([C@H]2CC(=O)N(c3ccc(CCCC)cc3)C2)nc2ccccc21 102211187 PAHWZJLOJPQPAK-QHCPKHFHSA-N 431.624 6.870 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\n2c(S)nnc2CCCC)cc1Cl 169910947 NNVGIYJZFCJENI-ULJHMMPZSA-N 437.053 6.574 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2cccc(C)c2)c1 169930638 XZNIJVIHTIDIIY-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC)cc1 169976076 MGZUQSCZARDTJI-JOCHJYFZSA-N 425.500 5.383 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2sccc2C)c1 170105058 ZSUMEODYMDSWFY-OAQYLSRUSA-N 445.496 5.594 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1cccc(C)c1 170147584 JQEQRHYOMLNNQK-DEOSSOPVSA-N 435.564 5.859 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(OC(C)C)cc1 170152109 UOMPEHOBFPXDKS-HSZRJFAPSA-N 437.536 5.169 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2cccnc2)cc1 170188557 JPVIALULECTADF-JOCHJYFZSA-N 448.906 5.307 30 10 IKEE Cc1nc(-c2ccccc2)sc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cccnc1 170197263 SBRARRVNHRIGOG-HXUWFJFHSA-N 445.544 5.034 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2)cc1C 170223599 BQGYIKNWDNMJJC-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@@H]1c1ccc(C(C)C)cc1 170245163 ANDZNMHROPIUAK-VWLOTQADSA-N 449.591 6.223 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1cccc(O)c1)c1cc2cc(Cl)ccc2o1 170259337 GKSKLYRZOOJCKA-QFIPXVFZSA-N 445.858 5.575 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccco2)c(C)c1 170280890 PMAXQAOEVCWQHO-HSZRJFAPSA-N 431.488 5.503 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)[C@@H]2c2ccco2)c1 170283119 ISAZZOYRSMOASA-NRFANRHFSA-N 433.847 5.771 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccco2)cc1 170286989 KJXXCSXJRJNCPZ-OAQYLSRUSA-N 437.879 5.503 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2ccco2)cc1Cl 170288439 KLNVKGREPBPUKK-QFIPXVFZSA-N 449.890 5.349 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1cccc(Oc2ccccc2)c1 170457139 WZZFTXMPCLUKPW-QHCPKHFHSA-N 442.515 5.385 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1nc2sc(C)c(C)n2n1 170485824 GFGBHRZNSWNOSF-UHFFFAOYSA-N 434.694 7.608 30 10 IKEE Cc1nn(-c2ccccc2)c(C)c1/C=C\C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 209937433 GMYOCCGSBVKAIX-ZCPJJFRWSA-N 425.319 5.190 30 10 IKEE CCCOc1c(Cl)cc(/C=C\C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1OC 209948276 GOVWBWWXOITIAI-ZBTGYSDGSA-N 444.984 6.184 30 10 IKEE N#Cc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)c2cc(Cl)ccc2O)cc1 211833356 FMGVBUHJEASKDT-UHFFFAOYSA-N 432.785 5.981 30 10 IKEE CN1/C(=C2/SC(=Nc3ccc(F)cc3)N(c3ccc(O)cc3)C2=O)Sc2ccccc21 254849693 RXXRJWWFBRVIFN-XJIBWINFSA-N 449.532 5.710 30 10 IKEE C[C@H]1CN(c2ccc(C=Nc3ccc(O)c(-c4nc5ccccc5s4)c3)o2)C[C@@H](C)O1 254865164 WWXYEDMQPPLPMT-IYBDPMFKSA-N 433.533 5.626 30 10 IKEE COc1cc([N+](=O)[O-])cc(C=Nc2ccc(-c3nc4cc(C(C)(C)C)ccc4o3)cc2)c1O 254866871 VRWGWKFWTGOBJS-UHFFFAOYSA-N 445.475 6.165 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccs2)cc1Cl 526522812 SOBBVRJCPNUJMI-OAQYLSRUSA-N 436.920 5.729 30 10 IKEE CCCOc1ccc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526606220 JLOLYCQUNGORLR-XMMPIXPASA-N 444.918 6.058 30 10 IKEE COc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2cccc(C)c2)cc1O 526808032 AGQOCHNUQCNGEJ-QQXSKIMKSA-N 444.560 5.066 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1cccc(OCC)c1 526817059 ODVFKVCTKNRLKR-IWIPYMOSSA-N 428.989 5.847 30 10 IKEE Cc1[nH]c2ccccc2c1/C=N\n1c(C)nnc1SCc1ccc(Cl)cc1Cl 526823709 OQOZRLDDPUWJMH-RMORIDSASA-N 430.364 5.858 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Cl)c1Br)NCC 719507932 WYENSSYJVOFFSX-IRXDYDNUSA-N 445.829 5.483 30 10 IKEE CCC(C)=NNc1nc2cc(C)c(NC(=O)c3ccc(-c4ccccc4)cc3)c(C)c2s1 1081377947 KOKAIYIALCHRET-UHFFFAOYSA-N 442.588 7.030 30 10 IKEE CN1C(=O)C[C@H](C(=O)Nc2ccccc2Cl)SC1=Nc1ccc(Cl)c(Cl)c1 1084341120 MJYUMRURLWJKOW-OAHLLOKOSA-N 442.755 5.237 30 10 IKEE Cc1ccc(NC(=O)[C@@]23CC[C@@](C)(C(=NOC(=O)c4cccc([N+](=O)[O-])c4)C2)C3(C)C)cc1 1772722621 LNTYKLRWEARPPF-LOSJGSFVSA-N 449.507 5.271 30 10 IKEE COc1ccc(/C(C)=C2\SC(=Nc3cccc(C(=O)O)c3)N(c3ccccc3)C2=O)cc1 1772734934 HFEKKWJNCVAUMB-JUQJSGDGSA-N 444.512 5.592 30 10 IKEE Cc1cccc(-n2cc(/C=N\NC(=S)Nc3ccccc3)c(-c3ccc(Cl)cc3)n2)c1 1857809774 ZANXJKIVLKBWCR-YSMPRRRNSA-N 445.979 5.822 30 10 IKEE C=CCNc1nc(-c2ccnc(N3CCC(Cc4ccccc4)CC3)c2)cc2cnccc12 1857831911 MZTSCUWLSPAXED-UHFFFAOYSA-N 435.575 5.749 30 10 IKEE C=CCN(CC=C)c1nc(-c2ccnc(NCc3ccccc3F)c2)cc2cnccc12 1857844024 JXRLIQDYKAWRJA-UHFFFAOYSA-N 425.511 5.621 30 10 IKEE Cc1ccc(CCCC(=O)Nc2c(C#N)cnn2-c2cc(C)c3cccc(C)c3n2)cc1C 1859656796 CHCRROHOHWTYMJ-UHFFFAOYSA-N 437.547 5.487 30 10 IKEE Cc1cc(Cl)ccc1NC(=O)CSc1nc(O)c(C#N)c(-c2ccccc2Cl)n1 1860827261 QYNZSVRNTBSKIP-UHFFFAOYSA-N 445.331 5.067 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 1861764832 LJLJNTHFENEPOU-FQEVSTJZSA-N 427.416 5.855 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2cccc(O)c2)cc1 1862390171 XBWUJWUQWCAZHC-MQVPCNEGSA-N 447.575 5.892 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(F)cc1 1862430177 DWRUWBYHVYEFQF-RFVSGWPVSA-N 427.903 5.636 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccc(O)cc2)cc1 1862442017 FRVWFMXCGMEFOT-QHCPKHFHSA-N 447.918 5.175 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCCCCO)cc1 1862446552 VKAQCVOMLVEHDW-JOCHJYFZSA-N 441.955 5.204 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(OCc2ccccc2)c1 1862454689 DAGOGMREYWLWGP-QHCPKHFHSA-N 447.918 5.517 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 1862468594 SCVMCOUPSLBTSK-IBGZPJMESA-N 446.316 5.213 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccc(Cl)cc3)[C@@H]2c2ccccc2)c1 1862487197 VMKYWRMFBFENSQ-XMMPIXPASA-N 445.946 5.778 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2c(F)cccc2Cl)c1 1862495353 XAUXCDILAUJPGR-OAQYLSRUSA-N 427.903 5.617 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cccc(F)c1 1862501462 CTARAKQBGXDURM-OFNKIYASSA-N 441.518 6.210 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)cc1 1862563328 AOXLJSWANKOTHU-OZWPHOJSSA-N 448.563 5.215 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCCCN(C)C)cc1 1862659864 FCPCDAUAMJFJLA-DEOSSOPVSA-N 434.580 5.039 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(F)cc1F)c1ccc2ccccc2c1 1862712412 QJJJEFDDCCBDAK-DEOSSOPVSA-N 447.481 6.029 30 10 IKEE CC(C)COc1ccc(NC2=C(c3cccs3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1863112461 FBGXKPPPQMRQAX-UHFFFAOYSA-N 443.528 5.051 30 10 IKEE CCCc1nc(Nc2cccc(C#N)c2)cc(N2CCO[C@H](c3cccc(Cl)c3)C2)n1 1868378207 IFKYPEQHYHSBLO-NRFANRHFSA-N 433.943 5.276 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)[C@H]2C[C@H]2c2ccccc2Cl)n(-c2ccc(C)cc2)n1 1870001706 PWYDNZBEDARFED-SFTDATJTSA-N 447.970 5.150 30 10 IKEE CCCCc1ccc(-n2nnc(C#N)c2NC(=O)c2c(Cl)ccc(Cl)c2Cl)cc1 1870154312 QOLUQCRVGNFHOB-UHFFFAOYSA-N 448.741 5.694 30 10 IKEE C=CCn1cc(OCCCCOc2ccccc2)c(=O)cc1CNc1ccc(CC)cc1 1871224198 QWNSQZDNWDITKH-UHFFFAOYSA-N 432.564 5.447 30 10 IKEE COc1cccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCc2ccccc2)C4)c1 1871344790 WEOHTCAXFBBDLV-IWIPYMOSSA-N 427.500 5.014 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3c(cc4c(c3C)OCN([C@H]3CCCC[C@H]3C)C4)C2=O)c1 1871355866 KFPCLAHVMHMLHM-GJCHYFHJSA-N 449.547 5.359 30 10 IKEE Cc1cc(O)c(CN2C[C@@H](C)O[C@H](C)C2)c2c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O2 1871395002 BJCIPTIQYVJXTJ-AWLIUGMOSA-N 435.564 5.224 30 10 IKEE Cn1cc(/C=C2\Oc3cc(OCCOc4ccc(Cl)cc4)ccc3C2=O)c2ccccc21 1871412791 DYBDRZJLPHXASK-QFEZKATASA-N 445.902 5.906 30 10 IKEE COc1cccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4cccc(C)c4C)ccc3C2=O)c1 1871414339 SRPJJCSEIMRFOX-BDFPJNNISA-N 443.499 5.334 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc(Cl)c4C)cc(C)c3C2=O)cc1 1871427743 RAOCAYJHBXXCGY-FMCGGJTJSA-N 447.918 5.899 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OCCC(=O)Nc4ccc(C)cc4)c3C)C2=O)c1 1871430919 JZJFPRGVDJQDPO-JLPGSUDCSA-N 443.499 5.336 30 10 IKEE CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 1871433634 NKKLVSMOHVOHGU-HDOAHBKWSA-N 435.303 5.720 30 10 IKEE COc1ccccc1/C=C1\Oc2c(ccc(OCC(=O)Nc3c(C)cccc3C)c2C)C1=O 1871440580 WXUSFFRJMUTTQY-UCQKPKSFSA-N 443.499 5.254 30 10 IKEE CCc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871454632 VAPABFYGYFHMLA-QRVIBDJDSA-N 433.891 5.536 30 10 IKEE CCCCCCCCN=c1nc(N(C)CCCC)[nH]c(=Nc2ccc(F)c(Cl)c2)[nH]1 1871656333 YSZWINBDYOGXPX-UHFFFAOYSA-N 437.007 5.260 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1cc(C)ccc1C 1872065227 RAGUSHSBZAEPGE-QFIPXVFZSA-N 446.588 5.125 30 10 IKEE N#Cc1ccccc1NC(=O)c1ccc2[nH]c(-c3ccc(OCc4ccccc4)cc3)nc2c1 1872735261 MFVQXDHQEVANGV-UHFFFAOYSA-N 444.494 5.933 30 10 IKEE Cc1cc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(F)cc3F)cs2)cc(C)c1Cl 1872767205 PGWIVGPXQULAOA-INIZCTEOSA-N 432.879 5.614 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)COc3ccc(Cl)c(C)c3)n2)cc1C 1872787987 UTVFLFBZLYEAQI-SFHVURJKSA-N 440.952 5.653 30 10 IKEE Cc1cc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)s3)cs2)cc(C)c1Cl 1872789476 KEJUCFJQOWMPRG-CYBMUJFWSA-N 437.373 6.051 30 10 IKEE C=CCN(CC=C)C(=O)c1ccc2nc(-c3cccc(OCc4ccc(C)cc4)c3)[nH]c2c1 1873504272 OTFMHIHKOQSTSY-UHFFFAOYSA-N 437.543 5.932 30 10 IKEE CCCCCCCCNc1ncnc2c1ccc(=O)n2-c1ccc(N(CC)CC)cc1C 1873542595 GASXMFZKTXNAPH-UHFFFAOYSA-N 435.616 5.708 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1cccc(Cl)c1C)n2C 1873619821 OVLQXPJTMRAHCM-UHFFFAOYSA-N 427.980 5.955 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)cc2)cc2c(N(CCCC)CCCCCC)ncnc21 1873672792 AFLCTWBMUSDNQG-UHFFFAOYSA-N 447.627 6.365 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCC(=C)C)n1/N=C/c1cccc(C)c1 1874226845 GIRXWLVKSMMQTA-MFKUBSTISA-N 434.565 5.281 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCCC)n1/N=C/c1sccc1C 1874229218 YURXRLHYRBPBIW-HYARGMPZSA-N 428.583 5.176 30 10 IKEE CCCSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1ccc(Cl)cc1 1874254089 VSEYHQWXDPNPOH-LFVJCYFKSA-N 428.989 5.636 30 10 IKEE C=CCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccccc1OC(C)C 1874279403 HXESBKFAGZOEFE-PCLIKHOPSA-N 441.000 5.664 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc(Cl)cc1 1874282853 CGTMVNKGRJIOSR-ZMOGYAJESA-N 431.392 5.921 30 10 IKEE CCCCC1CCC(c2nnc(SCc3cc(C)ccc3C)n2/N=C/c2ccc[nH]2)CC1 1874288173 QZLSWVMLEXACSK-OGLMXYFKSA-N 449.668 6.862 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccc(C)c(C)c3)n2/N=C/c2ccc[nH]2)c1 1874319764 HXTWLSDHMCJEGI-VULFUBBASA-N 431.565 5.285 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccc(C)cc3C)n2/N=C/c2ccc[nH]2)c1 1874325923 OSNSBXBBVHRNHX-VULFUBBASA-N 431.565 5.285 30 10 IKEE CCCSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1ccc(C(F)(F)F)cc1 1874327821 INLOANCIYGUMFD-LGJNPRDNSA-N 448.514 5.877 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(CCc2ccccc2)n1/N=C/c1ccco1 1874405612 GPYJNAMWESBPEV-AFUMVMLFSA-N 440.931 5.623 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(CC3CCCCC3)nnc2SCc2cc(C)ccc2C)c1 1874408370 SSOODNDJWFGXRV-JVWAILMASA-N 448.636 6.206 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2[C@H]2CCCO2)cc1 1874450335 ZHURFWGASPTBEB-LSCMLXDISA-N 442.972 5.356 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C2CCCC2)c1 1874457562 VILCEBLUIQDBDE-DHRITJCHSA-N 445.419 6.725 30 10 IKEE C=C(C)CSc1nnc(C(F)(F)F)n1/N=C/c1ccc(OCCCC)c(OCC)c1 1874461662 ZFRDSJUWDSDCPJ-WYMPLXKRSA-N 442.507 5.425 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(-c3ccco3)n2/N=C/c2ccccc2Cl)cc1 1874465769 AKIAZSHVPIOBPP-WSDLNYQXSA-N 439.884 5.274 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCc3cccc4ccccc34)nnc2-c2ccco2)c1 1874467600 RJQMAGAXWLGMEB-CVKSISIWSA-N 440.528 5.880 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2C(C)(C)C)cc1 1874481465 XJRRBLUBQHWLCE-YZSQISJMSA-N 435.641 5.905 30 10 IKEE CCCc1nnc(SCC)n1/N=C/c1ccc(OCc2ccccc2C)c(OCC)c1 1874506417 BGNDOKLVJRIJCQ-PCLIKHOPSA-N 438.597 5.511 30 10 IKEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874535755 VIGWBYZQRCIZQQ-GZIVZEMBSA-N 446.190 6.375 30 10 IKEE CCCN(CCC)C(=O)COc1ccccc1/C=C/C(=O)c1cccc(Br)c1 1874575678 AAJKPKHJPRWERT-OUKQBFOZSA-N 444.369 5.373 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccccc1OCc1ccc(Cl)cc1Cl 1874591932 JGHWXZTUTCSXQJ-JXMROGBWSA-N 447.745 7.131 30 10 IKEE CCc1ccc(NC(=O)COc2cc(/C=C/C(=O)c3cccc(OC)c3)ccc2OC)cc1 1874594223 YUUGGPWEDAMVPF-GXDHUFHOSA-N 445.515 5.180 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)c1 1874605549 TYYYYKBDKLEBOB-PKNBQFBNSA-N 435.907 5.571 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OCC(=O)Nc1cccc(C)c1C 1874614831 RZHBTAWHCOIEJZ-FYWRMAATSA-N 429.516 5.616 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OCC(=O)Nc3cccc(C)c3C)c(Cl)c2)c1 1874618130 LJENYZWIFWEPPG-ZRDIBKRKSA-N 447.962 6.487 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OCC(=O)Nc1ccccc1 1874625739 UGZOYVDSGNMPKB-XNTDXEJSSA-N 445.490 5.476 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3cccc(/C=C/C(=O)c4ccc5c(c4)CCCC5)c3)c(C)c2c1 1874693503 ILVNQJCDHASBOZ-RVDMUPIBSA-N 449.550 6.779 30 10 IKEE C[C@H](Oc1ccc(Cl)cc1)C(=O)Oc1cccc(/C=C/C(=O)c2ccccc2Cl)c1 1874696588 HHPPYZGFRJDRAG-IDJPSDCMSA-N 441.310 6.262 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccccc2F)c1)c1cccc(Br)c1 1874697678 KHYBDZOWNRGCLX-VAWYXSNFSA-N 425.253 5.704 30 10 IKEE Cc1cc(C(=O)/C=C/c2cccc(OC(=O)c3ccccc3Br)c2)ccc1F 1874704138 YDTYTNVAHHHWEK-FMIVXFBMSA-N 439.280 6.012 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc(Br)c1O 1874719313 WDZFFBSTLMSHBW-BQYQJAHWSA-N 433.342 5.890 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(OCC)cc2)CSc2nnc(CCC)n21 1874864198 OEJANEMWMPLBKV-OAQYLSRUSA-N 444.645 5.692 30 10 IKEE Cc1ccc(C)c(OCC(=O)Oc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2)c1C 1875084964 ITPHKVQECPKPFD-SDNWHVSQSA-N 445.471 5.401 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc(Cl)cc1 1875104265 OGEGCEIDGWCCJI-KGVSQERTSA-N 431.702 6.762 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc(Br)c3)cc2)cc1 1875114689 QPVBBMSLKDJVES-XNTDXEJSSA-N 435.317 6.127 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCC)c(Cl)c2)cc1OCCC 1875123869 IBCCMYQFWJPLID-DHZHZOJOSA-N 444.955 6.519 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cccs3)c(OCC)c2)cc1 1875130684 NPZPKVFDITZBLB-NTUHNPAUSA-N 436.529 5.590 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)c(Cl)c2)c(C)c1 1875131488 AIHRHHHSRXVRRB-VGOFMYFVSA-N 446.974 7.370 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)CC(C)(C)C 1875163583 RZBUBXDDEZYHAH-DHZHZOJOSA-N 428.475 5.940 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1ccc(F)cc1 1875170100 IBUYZEMKQUZZSN-WUXMJOGZSA-N 432.491 6.183 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(C)=O)c(Br)c2)c2ccccc12 1875192698 XLCIFOMZJUCWIP-JXMROGBWSA-N 425.278 5.432 30 10 IKEE C=C(COCc1ccccc1)C(=O)[C@@H](O)c1ccc(-c2ccccc2Br)s1 1922100440 UBSVYORKYFJGSY-QFIPXVFZSA-N 443.362 5.553 30 10 IKEE COc1cc(C)ncc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 1927182645 QZWCSIBQWVVZLJ-QGZVFWFLSA-N 432.318 5.168 30 10 IKEE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 1944892604 XRYHOSYFPXVUGR-UUOWRZLLSA-N 435.609 5.486 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C12CCC2 2015371092 DHVVNKPCPCDDGL-DEOSSOPVSA-N 433.593 5.382 30 10 IKEE CCCCCCC[C@@H](C)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1 2025244950 KCVQHCYTSFNCBT-ISKFKSNPSA-N 431.665 5.447 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1C[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2048078344 REUHPQYLBOVDBA-CJFMBICVSA-N 443.588 5.890 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(CCC)CCCCN1C(=O)OC(C)(C)C 2056336638 WGXOMDMPFLYAOU-RPLLCQBOSA-N 444.660 6.088 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@]2(C)CCCN2C(=O)OC(C)(C)C)c1 2076989183 SDTPISOJQYWJIR-DVECYGJZSA-N 445.560 5.118 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@]1(C)CCCN1C(=O)OC(C)(C)C 2076989214 SNQBQPDKIIKCRI-CYFREDJKSA-N 445.560 5.118 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@H](C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2077946971 BRQXGDWGCVIUHC-RBUKOAKNSA-N 447.551 5.495 30 10 IKEE Cc1ccc([C@@H](C2CC2)n2nc(C3CCC3)c(/C=N/O)c2I)c(C)c1 2079043111 WIASSCLNZXBKMO-AZHVYHFMSA-N 449.336 5.180 30 10 IKEE CC(C)(C)c1nn([C@H](c2ccc(C3CCC3)cc2)C2CCC2)c(Br)c1C#N 2079980470 DXLDOAUOHCPIMM-FQEVSTJZSA-N 426.402 6.472 30 10 IKEE CCCOc1ccc([C@H](n2nc(C3CC3)c(C=NO)c2Br)C(C)(C)C)cc1 2080061486 NHKABMASDBGJAI-IBGZPJMESA-N 434.378 5.755 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NC)[C@@]1(O)CN(Cc2ccccc2)C2(CCCCCC2)C1 2100356462 PVYAPVMWJGLTHS-PXJZQJOASA-N 448.651 5.077 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CC(Nc1cc(Br)c(C#N)cc1F)C2 2162305398 BTZHPVKGZHFKIS-GJZGRUSLSA-N 438.341 5.192 30 10 IKEE COc1ccc(NC(=O)OC(C)(C)C)c(Nc2cc(Br)c(C#N)cc2F)c1 2162353301 XQLFWEVXNCIHFF-UHFFFAOYSA-N 436.281 5.559 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](Cc2cccc(Br)c2C)NCCC)C1 2197755429 SOXLYJQMFSIPOM-LJQANCHMSA-N 437.422 5.282 30 10 IKEE CC(C)(C)OC(=O)NCCCc1ccc(Nc2ccc(C#N)c(Br)c2)cc1 2203173027 PBKJOAMSXQODHG-UHFFFAOYSA-N 430.346 5.522 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cccc(OC)c1Br 2207351890 PEVCTZAPBCSGSN-VQIMIIECSA-N 441.410 5.358 30 10 IKEE C=CCN(CC[C@H](NCC)c1sc(C)c(C)c1Br)C(=O)OC(C)(C)C 2221833442 PPKBHEYTNZWEHS-HNNXBMFYSA-N 431.440 5.591 30 10 IKEE C=CCCCCC[C@@H](O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229102879 PVBZGDGURJGAIL-RTBURBONSA-N 426.395 5.382 30 10 IKEE C=CCC[C@H](NCCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229130089 KHJUVOHBNRNEKF-RBUKOAKNSA-N 425.411 5.219 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](O)c1sc(C)c(C)c1Br 2229249965 HJPYRJIKACWCBC-PMACEKPBSA-N 438.431 5.302 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@H]1C[C@@H]2C[C@H](C1)CN(C(=O)OC(C)(C)C)C2 2249752653 DQDOZKVDMXVRIA-KIHHCIJBSA-N 428.617 5.021 30 10 IKEE N[C@@H](C#CC1CCCCC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2261016899 YWIPWVVNSMHPPP-MHZLTWQESA-N 425.572 6.428 30 10 IKEE C[C@@H](NC(=O)[C@H]1C[C@@H](B2OC(C)(C)C(C)(C)O2)C1)c1ccc(NC(=O)OC(C)(C)C)cc1 2267553327 NFHUPKFJYFOJAF-NXHRZFHOSA-N 444.381 5.083 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)[C@H]2Nc1ccc(C#N)c(Br)c1 2285853845 LCQDQXKVPACNRH-RTGNKSGBSA-N 434.378 5.205 30 10 IKEE CCCN[C@@H](C#CC1CCCC1)c1ccc(I)c(Br)c1 2289692325 WSUBOOLOBXJJOT-KRWDZBQOSA-N 446.170 5.288 30 10 IKEE CCOc1cc2c(cc1C=C1SC(=Nc3ccccc3)N(Cc3ccco3)C1=O)OCO2 2294002156 ROUYAPDUUUROKS-UHFFFAOYSA-N 448.500 5.211 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](CC[C@H](O)C#Cc2cccc(Br)c2)C1 2296223976 GAEFLWTYSRNZTR-DFQSSKMNSA-N 436.390 5.025 30 10 IKEE Cc1cc(Cl)cc([C@H](N)C#Cc2cccc(Br)c2)c1NC(=O)OC(C)(C)C 2296282609 YMWMOJFNLAGDDM-GOSISDBHSA-N 449.776 5.809 30 10 IKEE COc1ccc(C(=O)C#Cc2ccc(Br)cc2)c(NC(=O)OC(C)(C)C)c1 2296289616 TWEGYZXBGQZEMA-UHFFFAOYSA-N 430.298 5.039 30 10 IKEE O=C1C(=O)N(c2nccs2)[C@@H](c2ccc(Cl)cc2)C1=C(O)c1cc2ccccc2o1 2296775121 MVZFIDBCXKXFHX-SFHVURJKSA-N 436.876 5.169 30 10 IKEE CN1C(=C2C(=O)C(=O)C(C(=O)c3ccccc3)=C2c2ccccc2)C(C)(C)c2ccccc21 2297638981 OHSRUHUASSGPJB-UHFFFAOYSA-N 433.507 5.157 30 10 IKEE Cc1cc(C=C2SC(=Nc3cccc(Cl)c3Cl)NC2=O)c(C)n1C1CCCCC1 2313541329 BRXHIBVPZQYGQG-UHFFFAOYSA-N 448.419 6.809 30 10 IKEE Cc1ccc(COc2ccccc2C=C2SC(=Nc3cc(C)ccc3C)NC2=O)cc1 2314557430 FRGPCUXXKSYJFZ-UHFFFAOYSA-N 428.557 6.082 30 10 IKEE CC(=O)c1ccc(-c2ccc(C=Nn3c(C)nnc3SCc3ccccc3C)o2)cc1 2321761157 BPZBIIRCIRUVDQ-UHFFFAOYSA-N 430.533 5.532 30 10 IKEE COc1ccc(CCN2COc3cc(C)c4c(c3C2)OC(=Cc2cccc(C)c2)C4=O)cc1 2321937667 VCAJZYAXPIXTMF-UHFFFAOYSA-N 441.527 5.323 30 10 IKEE O=C1C(=CC=Cc2ccccc2)Oc2c1ccc1c2CN(C23CC4CC(CC(C4)C2)C3)CO1 2322238624 XOXNPNIDVNYZID-UHFFFAOYSA-N 439.555 5.980 30 10 IKEE CCc1ccc([C@H](C)N2COc3cc(C)c4c(c3C2)OC(=Cc2cccc(C)c2)C4=O)cc1 2322260037 IOIKWQKQSJTKQR-FQEVSTJZSA-N 439.555 6.395 30 10 IKEE CCCOc1ccccc1C=Nn1c(S)nnc1COc1ccc(Cl)cc1Cl 2322260183 PRRXLULYBFMFDD-UHFFFAOYSA-N 437.352 5.124 30 10 IKEE COc1cccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3ccccc3F)C4)C2=O)c1 2322350388 ZQFKLTYWYCIMDV-UHFFFAOYSA-N 431.463 5.111 30 10 IKEE COc1ccc(C=C2Oc3c(cc4c(c3C)OCN(C3CCCCCCC3)C4)C2=O)cc1 2322415356 LHEXYYVDOWVBSS-UHFFFAOYSA-N 433.548 5.885 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(F)c(F)c2)c1OCc1cccc2ccccc12 2322785110 YIWJRRTVVZWSFP-UHFFFAOYSA-N 430.450 6.602 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3C)cc(C)c2C1=O 2323270536 ORXDWKNLCOXXDW-UHFFFAOYSA-N 429.428 5.355 30 10 IKEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)C=Cc1ccc(Cl)cc1Cl 2323352516 HOMLIIIIXWOQIA-UHFFFAOYSA-N 441.443 6.158 30 10 IKEE CCOc1c(Br)cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1OC 2323353179 WPSCTAWCLZBCNW-UHFFFAOYSA-N 437.333 6.420 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1 2323536081 GLYXSUJEWFZPGR-QFIPXVFZSA-N 441.571 6.182 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2Cl)cc(OC)c1OCc1ccc(C)cc1 2323626973 NNSGRNFKYGZJPN-UHFFFAOYSA-N 432.947 6.861 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1F 2323791294 NLADWXJNMCCMHB-UHFFFAOYSA-N 445.317 7.006 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)cc1 2323823741 JEVWGPVOKXJURB-UHFFFAOYSA-N 445.427 5.219 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OCc1ccc(Cl)cc1 2323852630 HPLCFIMSRCYSKN-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE C[C@H]1C[C@H](C)CN(Cc2c(O)ccc3c2OC(=Cc2c(Cl)cccc2Cl)C3=O)C1 2324048180 RALNECPFVYSYQR-KBPBESRZSA-N 432.347 5.793 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc(OCCCOc3ccccc3)c2C)C1=O 2324241218 YQQCNOXAUQDOME-UHFFFAOYSA-N 430.500 5.858 30 10 IKEE Cc1ccccc1C=C1Oc2cc(O[C@H](C)C(=O)Nc3cccc(C)c3C)cc(C)c2C1=O 2324505677 SFQGAZINLNEDKM-HXUWFJFHSA-N 441.527 5.942 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 2324571044 QVLXVXLRWUUOCK-UHFFFAOYSA-N 429.516 6.676 30 10 IKEE C#Cc1cccc(NC(=O)C(=Cc2ccc(OCCCCC)c(OC)c2)c2ccccc2)c1 2325255247 LGQUXYCTNDHKHZ-UHFFFAOYSA-N 439.555 6.425 30 10 IKEE COc1cccc(COc2ccc3c(c2C)OC(=Cc2ccc(Cl)c(Cl)c2)C3=O)c1 2325699740 ZRERLUXSQZQKDW-UHFFFAOYSA-N 441.310 6.506 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1OC(=O)Cc1ccc(F)c(C)c1 2325724925 YMVDJNKKINGKCS-UHFFFAOYSA-N 440.417 5.465 30 10 IKEE O=C(C=Cc1cccc(OC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)c1)c1ccc(Cl)cc1 2325730914 QXAXFCNPSLAFLQ-FGZHOGPDSA-N 437.322 6.599 30 10 IKEE CN(C)c1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(Cl)c(Cl)c3)c2)cc1 2325737273 OWWWCNSZDZUBNO-UHFFFAOYSA-N 440.326 6.175 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(F)c(F)c2)c1)c1ccc(Cl)c(Cl)c1 2325737404 NHEAASYTPHZIMX-UHFFFAOYSA-N 433.237 6.387 30 10 IKEE O=C(Cc1ccccc1Cl)Oc1cccc(C=CC(=O)c2ccc3c(c2)OCCO3)c1 2325745436 PYMLJNBESDOHKQ-UHFFFAOYSA-N 434.875 5.155 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1cccc(C=CC(=O)c2ccc(C(C)C)cc2)c1 2325750649 PPXXNZJCIHOBIL-UHFFFAOYSA-N 434.919 6.587 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cc(Cl)ccc3Cl)c2)cc1C 2325760503 LZXILHULUIZNOQ-UHFFFAOYSA-N 425.311 6.726 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2cccc(OC(=O)c3cccnc3)c2)cc1Cl 2325766522 WCAQRSWHTCKBGB-UHFFFAOYSA-N 428.271 5.512 30 10 IKEE C=CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccccc1Cl 2326137780 YVBNXDSSCKMPFM-UHFFFAOYSA-N 447.391 5.941 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1cc(C)ccc1O 2326524864 QRSTYJWGLQUIDO-UHFFFAOYSA-N 442.972 5.383 30 10 IKEE C=CCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc([N+](=O)[O-])cc1 2326603990 XSWKQJCXPDJIJJ-UHFFFAOYSA-N 443.532 5.285 30 10 IKEE C=CCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1cccc2ccccc12 2327020189 VLIUTIFVNWTTJH-UHFFFAOYSA-N 442.588 5.912 30 10 IKEE CCSc1nnc(COc2ccccc2Cl)n1N=Cc1ccc(Cl)cc1Cl 2327638438 OFDFBSFUPZKRQZ-UHFFFAOYSA-N 441.771 5.812 30 10 IKEE C=CCSc1nnc(CCc2ccccc2OC)n1N=Cc1ccccc1OCCC 2328696502 BYQBYMOEBPONIQ-UHFFFAOYSA-N 436.581 5.021 30 10 IKEE CCCSc1nnc(CCc2ccccc2OC)n1N=Cc1ccccc1OC(C)C 2328702579 LKNSSGPAAAACAT-UHFFFAOYSA-N 438.597 5.243 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccccn2)cc1C 2329396995 LHVHWIQEXQLBAJ-UHFFFAOYSA-N 431.540 5.194 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2)n1N=Cc1ccc(O)cc1 2329486328 HBHJBUKXRMPQSM-UHFFFAOYSA-N 428.561 5.252 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3ccc(C)cc3)nnc2-c2ccccc2)c1 2330625173 DMFXSZMPBRWQFB-UHFFFAOYSA-N 442.588 6.217 30 10 IKEE Cc1cccc(C=Nn2c(SCC(=O)Nc3ccccc3C)nnc2-c2ccccc2)c1 2330649483 YXNKIXKZCGYFQN-UHFFFAOYSA-N 441.560 5.175 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2ccco2)c(Cl)c1 2330692905 TXRQGWXKSNIYPL-UHFFFAOYSA-N 429.332 6.019 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)(C)C)n2N=Cc2ccccc2[N+](=O)[O-])c1 2330845717 WIKFUVBGFDOQCB-UHFFFAOYSA-N 437.569 5.566 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(C)c2)cc(OC)c1OC(=O)CC(C)(C)C 2330879173 MBYIWPRFMYDOLN-UHFFFAOYSA-N 436.548 5.978 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1Cl 2331123085 BIPFXMBWRKLYFG-UHFFFAOYSA-N 425.311 6.428 30 10 IKEE O=C(CCOc1ccccc1)Oc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1 2331239790 ZUYFRBPQVMMFNS-UHFFFAOYSA-N 441.310 6.264 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl 2331293631 JIKLVTDFFZTCFZ-FGZHOGPDSA-N 446.930 6.262 30 10 IKEE COCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1sccc1C 2331307089 DVOTYLKFZSEFMG-UHFFFAOYSA-N 441.409 5.318 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1ccc(N(C)C)cc1 2331344745 JLUIMTMCCDXNCO-UHFFFAOYSA-N 447.506 5.714 30 10 IKEE COc1cc(C=Nn2c(SC)nnc2C(C)(C)C)ccc1OCCCc1ccccc1 2331358680 BPIOSPUKTRWABB-UHFFFAOYSA-N 438.597 5.200 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)cc3)c(OC)c2)cc1F 2331467400 MSPGWXADAPEYLL-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccccc3)c(Cl)c2)cc1 2331494186 JCIUOXXQWNBISI-UHFFFAOYSA-N 434.919 6.344 30 10 IKEE CCCc1nnc(SCc2ccccc2C)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2331633362 PVYLCPXTLPMKCI-UHFFFAOYSA-N 429.933 5.275 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(OC)c(Cl)cc2OC)ccc1OC(=O)CC(C)C 2331691931 RUDQAJKTFOXTMM-UHFFFAOYSA-N 446.927 5.604 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1ccc(F)cc1 2331779666 YKZRAICHHIOWLG-UHFFFAOYSA-N 432.491 6.265 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Cl)cc(Br)c1F 2337098954 UFJZUVPYTPPRLT-DOTOQJQBSA-N 447.776 5.199 30 10 IKEE CC1(C)OB(/C=C/c2ccc(Nc3ccccc3OCc3ccccc3)nc2)OC1(C)C 2339534266 CVLWLRCVAOWFOE-WUKNDPDISA-N 428.341 6.049 30 10 IKEE CO[C@@]1(C)C[C@@H]2C[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2356217903 BCYKYHBRSFRDEJ-PBFVBANWSA-N 435.362 5.288 30 10 IKEE C=CCn1c(SCc2cc(=O)oc3cc(C)c(C)cc23)nc2cc(Cl)ccc2c1=O 9085599 JNAOSWOOFJFVNM-UHFFFAOYSA-N 438.936 5.251 30 10 IKEE C=C(C)CN1C(=O)[C@H](C)Oc2ccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)cc21 12081432 ISQZZMYRANKXFB-KBPBESRZSA-N 449.334 5.089 30 10 IKEE CCc1cccc(/N=C(/NC(=O)c2ccccc2)N2CCN(c3cc(C)ccc3C)CC2)c1 15729142 MICQKAZBHBNQOP-UHFFFAOYSA-N 440.591 5.106 30 10 IKEE Cc1cc(C)c(-c2c(C#N)c(N)nc3c2CCCCC3)cc1COc1ccccc1Cl 20344664 YCOCCWWDIHXHIY-UHFFFAOYSA-N 431.967 6.321 30 10 IKEE O=C(/C=C/c1ccc(Br)cc1)c1cc2cc(Br)ccc2oc1=O 20617681 QBCWNTQANVYTNC-XVNBXDOJSA-N 434.083 5.214 30 10 IKEE CC(C)Oc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(C(C)(C)C)cc2)C3)cc1 21223847 HDKZYMSKZLGJJI-REWPJTCUSA-N 431.576 5.776 30 10 IKEE 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)C[C@@H](O)C[C@@H]1O 34025207 ODZFJAXAEXQSKL-UBHJEROXSA-N 428.657 5.727 30 10 IKEE in-vitro COc1ccc(C(=O)/C=C\c2cccc(OC(=O)N(c3ccccc3)c3ccccc3)c2)cc1 34702325 QHTXWEUOXDPMRP-HKWRFOASSA-N 449.506 6.928 30 10 IKEE COc1ccc(-n2c(-c3ccc(F)cc3)cc(/C(C)=N\OCc3ccccc3C)c2C)cc1 35843472 VKMXGHLDNVKVKR-COEJQBHMSA-N 442.534 6.850 30 10 IKEE C=CCC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)CC1CC1 36308670 PIVZHRCNHGKWGU-DEOSSOPVSA-N 431.580 5.512 30 10 IKEE O=C1/C(=C/c2ccccc2F)Oc2cc(OCc3ccc(Br)cc3)ccc21 39754439 KWZSDTCXZGDMIG-NHDPSOOVSA-N 425.253 5.783 30 10 IKEE C=CCOc1ccccc1/C=C1\S/C(=N/c2nnc(C)s2)N(c2ccccc2)C1=O 39866402 CLRZPEADHLTQCX-UVOXWLTBSA-N 434.546 5.220 30 10 IKEE C=CCc1ccc(OCCCCn2c([C@@H](O)c3ccccc3)nc3ccccc32)c(OC)c1 40224439 JJCBFZZMLMHQKG-MHZLTWQESA-N 442.559 5.714 30 10 IKEE C=CCc1ccccc1OCCn1c([C@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21 40226747 KTLPDHYFKTVAEI-HSZRJFAPSA-N 438.615 7.194 30 10 IKEE CC(=O)C1=C(C)N(c2ccccc2)[C@]2(SC(C)=NN2c2ccc([N+](=O)[O-])cc2)S1 59121734 YZRVEDFFYQPUSH-FQEVSTJZSA-N 426.523 5.167 30 10 IKEE CCCCSc1ccccc1NC(=O)CSc1n[nH]c(N/N=C(\C)CC(C)C)n1 59892030 GDGBWACWXCVRAV-HZHRSRAPSA-N 434.635 5.262 30 10 IKEE CC1CCN(S(=O)(=O)c2ccc(C(=O)/C=C\c3c(Cl)cccc3Cl)cc2)CC1 97993434 FCXHOLGXYQNDCZ-KTKRTIGZSA-N 438.376 5.310 30 10 IKEE CCCCCCCOc1ccc(NC(=O)CNc2ccc(OCc3ccccc3)cc2)cc1 100076728 DQHDXHWJJIQUPE-UHFFFAOYSA-N 446.591 6.665 30 10 IKEE C[C@@H]1CCCCN1c1ccc(C(F)(F)F)cc1/N=C/c1cc(Cl)cc(Cl)c1O 100152801 KZOBXPOCLOHGMQ-BUGPSZFBSA-N 431.285 6.847 30 10 IKEE Cc1ccc(C(=O)O/N=C2\C[C@@]3(C(=O)Nc4cccc([N+](=O)[O-])c4)CC[C@@]2(C)C3(C)C)cc1 100965727 JHQMHWPSZCULEK-OUIYBEPVSA-N 449.507 5.271 30 10 IKEE O=C1C[C@@H](S/C(=N/c2ccccc2)NCc2ccc(Cl)cc2)C(=O)N1c1ccccc1 105610765 ZTZWNLMWYNSXRZ-OAQYLSRUSA-N 449.963 5.183 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2cccc(F)c2)c1 169928944 QVCRMKLZKASOIP-JOCHJYFZSA-N 435.426 5.065 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccc(OC)c2)c1 169929262 UQFBCJKIWDWSBG-QHCPKHFHSA-N 447.462 5.016 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cc(C)cc(C)c2)c1 169930078 NDWTZGGMOWKYHG-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE CCCN1C(=S)N[C@H](c2ccc(OCc3ccccc3Cl)cc2)C(C(C)=O)=C1C 169930188 PIUKWJTZDGTGDP-JOCHJYFZSA-N 428.985 5.423 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccccc2C)c1 169936929 OFMIILKIBKASAX-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccccc2)c1 170047119 CWVGJJODEJQGQI-DEOSSOPVSA-N 443.499 5.267 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2ccccc2)c1 170051989 OWDWRFYBGHNBFU-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)[C@@H]2c2ccccc2)c1 170053761 BUXZUQBBNYURHV-XMMPIXPASA-N 443.499 5.265 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1c[nH]c2ccccc12 170075411 WKGPKRMGDSMVDB-VWLOTQADSA-N 447.494 5.741 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(CC)cc3)[C@@H]2c2ccc(C)o2)cc1 170101354 YIGPLUHNTAWOAQ-QHCPKHFHSA-N 431.488 5.332 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(OC)cc2)cc1 170114797 NNIZDGOSSFXOSG-DEOSSOPVSA-N 449.547 5.395 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2cccc(C)c2)c1 170141066 RQPVFUOPYUHJCS-IQGLISFBSA-N 439.511 5.410 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(O)c(OCC)c1 170148911 YKCQYNFORUAEGA-XMMPIXPASA-N 445.515 5.323 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@H]1c1ccc(C(C)(C)C)cc1 170150038 NCDXYWMFHNXDAC-XMMPIXPASA-N 449.591 6.007 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccs2)ccc1OCC(C)C 170159339 GOYAJIXAQRNCGT-QHCPKHFHSA-N 447.556 5.874 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccccn2)cc1Cl 170175476 NUPASSDJULFUSF-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2cccnc2)c1 170187833 DYGNMTVZBGIXRA-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE COc1cc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2)cc1Cl 170226141 XBBZMMKACVIEAJ-JOCHJYFZSA-N 449.890 5.140 30 10 IKEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4cc(F)ccc4F)[C@@H]3c3ccccc3)ccc2O1 170229655 JRKDONAMSQRNPX-QKFKETGDSA-N 447.437 5.071 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccco2)c1 170278743 ZOISSXJGZAJHOE-QHCPKHFHSA-N 425.440 5.224 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccco2)ccc1OCC(C)C 170283751 UOFAMHXGTQGVOZ-QHCPKHFHSA-N 447.487 5.111 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2Cc2cccs2)o1 170298148 ZFUWOYZNXAXRGJ-JOCHJYFZSA-N 449.572 6.034 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2ccc(C)c(C)c2)o1 170301784 YULUDDVMAQQNMR-DEOSSOPVSA-N 445.515 5.775 30 10 IKEE COc1cc(/C=C2/SC(=Nc3ccccc3)N(c3ccccc3)C2=O)ccc1OC(C)C 252628814 SYKIJTGLLQMAQW-DNKROPNVSA-N 444.556 6.291 30 10 IKEE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC(=NO)[C@H]4CC(=NO)CC[C@]4(C)[C@@H]3CC[C@@]12C 254287176 MXIKNOBYVNLDDR-QPIAHNHISA-N 430.677 7.378 30 10 IKEE C=C1/C(=C/C=C2/CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)(C)O)C[C@H](O)C[C@@H]1O 271779232 ZGLHBRQAEXKACO-WVBJKWKQSA-N 428.657 5.727 30 10 IKEE CCCCCCCC[C@@H](C=O)/C(=N/N)c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 514277930 FZXNDDWFSRYTOV-LGADCTONSA-N 428.960 5.788 30 10 IKEE Cc1ccc([C@H]2C(c3cccc(OCC(C)C)c3)=C(O)C(=O)N2c2ccc(C#N)cc2)o1 526489138 SHQXKXVTFIBLLC-DEOSSOPVSA-N 428.488 5.552 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccs2)cc1OCC 526491541 VLGSKBGYCMRAMK-QHCPKHFHSA-N 446.528 5.474 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(C(C)C)cc2)cc1 526514743 GGVVLSLKMRIFCA-SANMLTNESA-N 438.527 6.138 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccc(Cl)cc1Cl 526811505 MSXOZPJFQCMWML-KSEXSDGBSA-N 439.799 6.365 30 10 IKEE CCCOc1cccc(/C=N\n2c(CCC)nnc2SCc2cccc(Cl)c2)c1 526811522 NFPOWVDXYPEVJB-IWIPYMOSSA-N 428.989 5.847 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccc(F)cc2)cc1 526829604 QVRMERLCZCTDOK-MYYYXRDXSA-N 447.495 5.091 30 10 IKEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2ccc(Br)cc2C)cc1 586711293 QLVUGBQCVFGBLD-UHFFFAOYSA-N 428.330 5.216 30 10 IKEE COc1nc2ccccc2cc1C=NNc1nc(-c2ccccc2)c2cc(Cl)ccc2n1 606443347 TUFSJHLVBTVONF-UHFFFAOYSA-N 439.906 5.953 30 10 IKEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1ccccc1-c1ccc(Cl)cc1 610051211 DBIOWIAOKHSNAW-KRWDZBQOSA-N 433.939 5.406 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)c2cc(Br)ccc2F)cc1 710830937 OBJIXIZABHHANM-OAQYLSRUSA-N 433.321 6.077 30 10 IKEE CC[C@](C#N)(C1CN(C(=O)OC(C)(C)C)C1)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 716134966 MJEFESHSQUEAMA-QHCPKHFHSA-N 449.979 5.621 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CC[C@@H]2COCC[C@H]2C1 723660605 ATTJTFNDUVHDKR-GCKMJXCFSA-N 435.362 5.290 30 10 IKEE Cc1ccc(-c2csc(NN=Cc3ccccc3OCc3ccc(Cl)cc3)n2)cc1 1081086777 JQRSPWNTQDGELL-UHFFFAOYSA-N 433.964 6.797 30 10 IKEE C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5CCCCO5)CC[C@@]43C)[C@@H]1CC[C@H]2[C@@](C)(O)C=O 1088714300 YSVJDFIWOQKWTF-LNZYYBDQSA-N 430.629 5.427 30 10 IKEE CN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=Nc1cccnc1 1772730522 BHZCNHQTSSFPHY-FKSIKXIZSA-N 435.936 5.548 30 10 IKEE Cc1cccc(N=C2S/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)C(=O)N2C)n1 1772732533 YARXESBRWJQCNS-RQUXIJKASA-N 444.343 6.191 30 10 IKEE Cc1ccc(N=C2S[C@@H](CC(=O)c3ccc(F)cc3)C(=O)N2c2ccc(C)cc2)cc1 1772760006 KUYRWPKAEHDXKF-QHCPKHFHSA-N 432.520 5.852 30 10 IKEE COc1cccc(-c2nn(-c3cccc(F)c3)cc2/C=N\NC(=S)Nc2ccccc2)c1 1857808355 DJADYDLXZNENAZ-YSMPRRRNSA-N 445.523 5.008 30 10 IKEE C=CCNC(=O)Oc1cccc2c(NC(=O)/C=C/c3ccc(OCCC)cc3)cccc12 1858942294 FMVAKDXLTSIQRG-DTQAZKPQSA-N 430.504 5.555 30 10 IKEE CCCCCCCCNC(=O)[C@](C)(CC)NC(=O)Cc1cc(Cl)ccc1SCC 1861006959 NCBDHWPLQYTZRP-QHCPKHFHSA-N 441.081 5.756 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1C)[C@@H](C)CC 1861011669 ZXSAMUHTGNZHTI-PGRDOPGGSA-N 433.593 5.305 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)c1cccc(OCC)c1 1861347438 LCUXXBIDLTVJKZ-JOCHJYFZSA-N 436.662 5.194 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)c1ccc2nc(C(C)C)[nH]c2c1 1861448119 SZLVLJKEDMUKOU-SANMLTNESA-N 442.648 5.842 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2cccc(OCC)c2)cc1 1862393348 UBJJUPBBTQBTJQ-RUZDIDTESA-N 449.591 6.052 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(OCCC)cc1 1862418070 FDOJVFHDJVOLGJ-NRFANRHFSA-N 429.463 5.132 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1F 1862443651 SDZLNNMGYKZDRD-QFIPXVFZSA-N 443.946 6.418 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccccc1Cl 1862526602 HZADQALYCGGBAO-KRWDZBQOSA-N 434.717 5.091 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CC(C)C)cc1 1862550723 KFDUCCWYMKZPTD-RUZDIDTESA-N 447.575 5.589 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc2cc[nH]c2c1 1862596938 XECSDHGALMXFRU-AECOYVPUSA-N 430.504 5.031 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1cccc(OCCC)c1 1862623972 XRTQZGPZLGURNA-DEOSSOPVSA-N 449.591 6.151 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(C(C)C)cc1 1862664024 DPSHVWGEXDVAJO-VWLOTQADSA-N 433.592 6.558 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 1862667489 CIOWSFVYJSZAQN-OAQYLSRUSA-N 446.374 6.495 30 10 IKEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)cc1 1862674035 RLMBCAMEYSDODI-WNSKOXEYSA-N 449.453 5.313 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccccc2C)cc1 1862687947 RYIGKBAXMNFKKN-UUOWRZLLSA-N 427.500 5.343 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2cccc(C)c2)c1 1862698496 IKSJPKSOYDJXOL-DEOSSOPVSA-N 431.532 5.472 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)cc1 1862703948 NESSGZHFHZHLDC-OZWPHOJSSA-N 449.547 5.251 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862744751 UAQUPAGOUJRFBD-ZMZPIMSZSA-N 449.290 5.278 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C(C)(C)C)C(=O)N(c3ccccc3C#N)C2=O)cc1C 1862885459 UWMDVVYFVLCYTA-UHFFFAOYSA-N 449.554 5.869 30 10 IKEE CC(C)COc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3cccs3)C2=O)cc1 1863106934 NPUXNCIWQOJVIR-UHFFFAOYSA-N 443.528 5.051 30 10 IKEE C=CCN1C(=O)C(N[C@H](CC)CCCCC)=C(c2ccc(OCc3ccccc3)cc2)C1=O 1863706946 SPVVJAGLRWOSAB-HSZRJFAPSA-N 446.591 5.480 30 10 IKEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CC)[C@@H]1c1cccc(Cl)c1 1864111722 NGIQCOJOFDMYCK-FQEVSTJZSA-N 445.007 5.036 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)NCCCCCC(=O)OCC 1866029885 NJXVLLWXCXBQIJ-UHFFFAOYSA-N 425.698 7.488 30 10 IKEE CCCC[C@@H](NC(=O)C[C@@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866773469 BDXZVSXPPDMYEZ-DNQXCXABSA-N 449.595 5.319 30 10 IKEE Cc1ccc(-c2nc(Nc3ccc(C#N)cc3)cc(N3CC(C)(C)c4ccccc43)n2)cc1 1868330547 SXIVWIRLJKUBIB-UHFFFAOYSA-N 431.543 6.497 30 10 IKEE CCCCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CSc1nccn1C 1870165602 LRMHGCPHCHMYTO-UHFFFAOYSA-N 445.673 6.360 30 10 IKEE CCCCCCCOc1cn(C[C@H](O)c2ccc(Cl)cc2)c(CSCC)cc1=O 1870259683 CSYWXWOVMDBBGM-QFIPXVFZSA-N 438.033 5.838 30 10 IKEE C#CCOc1cn(CCCCCCCC)c(CSCc2nc3ccccc3[nH]2)cc1=O 1870300837 XHWBIZBGEGIQOL-UHFFFAOYSA-N 437.609 5.531 30 10 IKEE C=CCn1cc(OCc2c(Cl)cccc2Cl)c(=O)cc1CNc1cc(C)ccc1C 1871049757 QEVGZJCLMRAFQG-UHFFFAOYSA-N 443.374 6.149 30 10 IKEE CCCCOCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(Cl)cc1)C3=O 1871350589 MAMOXUMOBPZGJL-HMAPJEAMSA-N 441.955 5.623 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc4c3CN([C@@H]3CCCC[C@H]3C)CO4)C2=O)c1OC 1871350591 MBXIWYLIWLHYQS-LYZPNAKBSA-N 435.520 5.051 30 10 IKEE CC[C@H](C)N1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(Br)cc1)C3=O 1871351891 FUXQPWJWLKITFT-VAODSVERSA-N 428.326 5.324 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc3c(c2)O/C(=C\c2c(F)cccc2Cl)C3=O)cc1 1871370887 FQPHUFOZJPAYBH-UUYOSTAYSA-N 438.838 5.388 30 10 IKEE CCN(CCc1ccncc1)Cc1c(O)cc(C)c2c1O/C(=C\c1ccccc1Cl)C2=O 1871394250 NBEVOHJXTVVTRS-HAHDFKILSA-N 448.950 5.430 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871406561 IXHUFNNMGCIBEE-KSJDGYIASA-N 449.890 5.371 30 10 IKEE CCCOC(=O)[C@H](CC)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 1871432373 AMOHEZXTCJZZRQ-XUVWKZFSSA-N 436.548 6.019 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1C 1871458966 IZJXFCWFNVNFHJ-FMCGGJTJSA-N 431.463 5.385 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(Cl)c(C)c2)[nH]c(N(CCC)CCC)n1 1871664015 XEHZGFJWQSZECN-UHFFFAOYSA-N 447.071 6.398 30 10 IKEE C=CCN([C@@H](C(=O)Nc1cc(C)cc(C)c1)[C@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1871996856 HGTGBDSHVCMHQA-NTKDMRAZSA-N 442.625 5.150 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccccc1 1872529428 GMTJJUYMBNDHMN-QHCPKHFHSA-N 428.598 5.068 30 10 IKEE COc1ccccc1-c1csc([C@H](C#N)C(=O)c2ccccc2C(=O)c2ccccc2)n1 1872763361 KECGFUKQRZNBRL-OAQYLSRUSA-N 438.508 5.540 30 10 IKEE C=CCOc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2ccc(OCCC)cc2)cs1 1872770267 OILCALDGBDYRSD-HXUWFJFHSA-N 448.544 5.419 30 10 IKEE COc1ccc(C)cc1-c1csc([C@@H](C#N)C(=O)C(c2ccccc2)c2ccccc2)n1 1872770768 DUDGHSQIIGBHHQ-QFIPXVFZSA-N 438.552 6.136 30 10 IKEE N#C[C@H](C(=O)C(c1ccccc1)c1ccccc1)c1nc(-c2c[nH]c3ccccc23)cs1 1872777048 FAFWICYMDJOKTC-OAQYLSRUSA-N 433.536 6.300 30 10 IKEE Cc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)c(C)c1 1872788220 XHUIBSLMGZHZOL-INIZCTEOSA-N 431.344 5.989 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2F)C(=O)N(C2CCCCCCC2)C1=O 1873031438 ZXEQEFDVDYXTBA-UHFFFAOYSA-N 428.592 5.969 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@@H](C)CC)=C(c2ccc(-n3cccc3)cc2)C1=O 1873040137 SGTPFGHAYGEMRW-QFIPXVFZSA-N 449.639 6.086 30 10 IKEE CCCCCCCCNC1=C(c2cc(F)cc(F)c2)C(=O)N([C@H](CC)CCCCC)C1=O 1873112817 DOAPQOKLKXCLEQ-JOCHJYFZSA-N 448.598 6.354 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2[N+](=O)[O-])C(=O)N(CCCCCC)C1=O 1873139878 HKULEJXYNBMKDL-UHFFFAOYSA-N 429.561 5.205 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1cccc(Cl)c1)n2CC 1873619958 PNVQUDYHINIARF-UHFFFAOYSA-N 427.980 6.129 30 10 IKEE CCCCCCCCNC(=O)c1cccc(NC(=O)N2CCN(c3ccccc3)CC2)c1 1873886375 SQUJESNIYUDYMP-UHFFFAOYSA-N 436.600 5.131 30 10 IKEE CCCCCCCCCCNC(=O)CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12 1873936250 CJVAKXIMNGHRET-VWLOTQADSA-N 447.579 5.058 30 10 IKEE C=CCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc(C(=O)O)cc1 1874234099 QYHIIPWWJJZHOK-YZSQISJMSA-N 442.544 5.075 30 10 IKEE Cc1ccc(CSc2nnc(CCc3cccs3)n2/N=C/c2ccc(O)cc2)cc1 1874369369 XMXSFRUGEUTWBT-BUVRLJJBSA-N 434.590 5.313 30 10 IKEE Cc1cccc(/C=N/n2c(Cc3cccs3)nnc2SCc2cc(C)ccc2C)c1 1874412170 GIADMNQILVCOSO-MFKUBSTISA-N 432.618 6.030 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2)nnc1-c1cccs1 1874424272 CJTTVBRUUTZNNU-YDZHTSKRSA-N 440.981 5.843 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3ccccc3F)nnc2[C@@H]2CCCO2)c1 1874446464 ZYZXXDILJJFVLJ-XAOCGEIJSA-N 440.544 5.232 30 10 IKEE Cc1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2ccccc2OC(C)C)cc1 1874451529 CQQYBSYYXTYLBN-WGOQTCKBSA-N 434.609 6.206 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2-c2ccco2)c(F)c1 1874467519 NBNBRWUWPIUDJG-BHGWPJFGSA-N 430.867 5.644 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(CC(C)C)nnc2SCc2ccc(C)cc2)cc1 1874486347 MYWYVBZWZFBCNB-YZSQISJMSA-N 435.641 5.806 30 10 IKEE CC(C)Cc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(C(=O)O)cc1 1874493630 WORZDQZZNVPGLZ-BHGWPJFGSA-N 446.935 5.142 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2ccc(C(C)C)cc2)c1 1874494135 QRNMWKHBSMPAQU-CVKSISIWSA-N 447.608 5.590 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1/N=C/c1cccc2ccccc12 1874503390 FPGMHVIXCPGAPE-WGOQTCKBSA-N 443.576 5.305 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CC3)n2/N=C/c2ccc(Cl)cc2Cl)c1 1874520069 ZWRLNKSBKUIKMZ-BHGWPJFGSA-N 431.392 6.254 30 10 IKEE Fc1cccc(Cl)c1/C=N/n1c(SCc2c(F)cccc2Cl)nnc1C1CC1 1874523118 WVRSKTNGRMLPLW-PGGKNCGUSA-N 439.318 5.915 30 10 IKEE CCCOc1ccc(/C=N/n2c(S)nnc2Cc2cccc3ccccc23)cc1OCC 1874565538 GHEYCKGCXPWZSL-YZSQISJMSA-N 446.576 5.381 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc3ccccc3c2)c1OCc1cccc(F)c1 1874571494 QIBNWMGTAVGVDJ-VAWYXSNFSA-N 446.905 7.116 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1OCc1ccc(C)cc1 1874573519 SBKFJTYZMVSJTD-JLHYYAGUSA-N 427.327 6.786 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccccc2Cl)c1OCc1cccc(C)c1 1874574876 KCJNSCNHSSRPRZ-ZHACJKMWSA-N 427.327 6.786 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(C)c(C)c1 1874587892 KCDRXNGKMAEWSP-ACCUITESSA-N 447.962 6.433 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3ccccc3c2/C=C/C(=O)c2ccc(C)c(C)c2)c1 1874588701 ZOBGVTDKRIKXOV-CCEZHUSRSA-N 449.550 6.679 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1Cl 1874600035 PGHLOIBTJPCPPQ-RMKNXTFCSA-N 447.745 7.131 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)c1 1874619417 ZRGXXLQCUSUMND-BJMVGYQFSA-N 426.871 5.971 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(OC)c1OCc1ccccc1C 1874623213 QVFXDYVRXUUFED-ISLYRVAYSA-N 448.562 7.360 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1Cl 1874631454 CMYSEBVLNDBSTF-DHZHZOJOSA-N 427.972 5.880 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1Cl 1874636274 SEUUYTRLLCWAAT-RUDMXATFSA-N 441.842 5.871 30 10 IKEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1Cl 1874637621 JKQGFAVDTZBOCT-XVNBXDOJSA-N 427.711 5.875 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc(Br)c1OC 1874638198 NJNXVZZETXGHJC-QPJJXVBHSA-N 430.125 6.059 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OC(=O)Cc1ccc(C)c(C)c1 1874703367 MNCBYXMGHDMCBD-ZRDIBKRKSA-N 428.528 5.973 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 1874704127 XONWTDGQLUXBQP-ONNFQVAWSA-N 449.434 5.475 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1OC(=O)c1cncc(C)c1 1874710556 FINXLLVIMABTLB-VQHVLOKHSA-N 429.516 5.748 30 10 IKEE COc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3c(C)cc(C)cc3C)c2)cc1OC 1874716476 UJWVSFVQLIRCHV-PKNBQFBNSA-N 430.500 5.744 30 10 IKEE C=CCN(CC=C)CCC(=O)c1ccc(OC(=O)c2ccc(OCCCCCC)cc2)cc1 1874740151 ONBKQCXRYDQRJL-UHFFFAOYSA-N 449.591 6.112 30 10 IKEE CCCCCCCCC(=O)N1[C@H](C(C)(C)C)CSc2nnc(Cc3ccccc3F)n21 1874990515 RZPPLRVMKGEAMF-FQEVSTJZSA-N 446.636 5.744 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)c1ccc(C)cc1 1875122975 QHTKAKLAJLFZIV-AWNIVKPZSA-N 436.891 5.781 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1Br 1875128121 OLKGGEZDSVVHNE-JQIJEIRASA-N 443.381 7.001 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)c1ccc(C(F)(F)F)cc1 1875129066 JBWQPWRQASWXHX-NTUHNPAUSA-N 426.390 5.829 30 10 IKEE C=C(COC)[C@@H](NCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875650081 LFBYRXDLRXFAPB-VSGBNLITSA-N 447.575 5.059 30 10 IKEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1880122582 KVJOXECFQVZZHM-UHFFFAOYSA-N 445.368 5.589 30 10 IKEE C=CCN(CC[C@@H](NCCC)c1ccc(Cl)cc1Br)C(=O)OC(C)(C)C 1898191896 RKOYLMQTZJQIHH-GOSISDBHSA-N 445.829 5.956 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1Cc2ccccc2N1C(=O)OC(C)(C)C 1922076203 CSMQNJNYRYYCLP-DQEYMECFSA-N 436.596 5.494 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(Br)ccc1Br 1935891475 VQGNLZIEHTXDEA-NHYWBVRUSA-N 446.183 5.812 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CCC2 1948905058 KOGIYKOZWKCJPX-MVERNJQCSA-N 428.617 5.307 30 10 IKEE C#CCCCCC[C@@H](NC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997467928 BQDLJZCWHKYCST-BVAGGSTKSA-N 428.617 5.002 30 10 IKEE 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)CC1 2023566767 SCDNFRRJHAKFAX-AVYPCKFXSA-N 449.514 5.152 30 10 IKEE CCCCCC#CC[C@@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCC 2024369194 CWKCPDWEFUPSRF-ZEQRLZLVSA-N 430.633 5.439 30 10 IKEE CC(C)(C)OC(=O)N(C[C@H]1CCCO1)[C@@H](C#N)c1cc(Cl)cc(Br)c1 2027901949 RZBVULBQUHFYOU-CVEARBPZSA-N 429.742 5.083 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(Cc3ccccc3)C[C@@H]2C)cc1 2037426391 LBECQXSDMHBXDH-FNZWTVRRSA-N 435.568 5.241 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)[C@H]1C(C)(C)C 2076161203 JTLFXZDIWWZNDE-KBMIEXCESA-N 449.636 5.874 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)CC[C@H]1C 2076318232 NYXVZGVWELCXHB-KBMIEXCESA-N 443.588 5.666 30 10 IKEE Cc1ccc([C@H](C(C)C)n2nc(C(C)C)c(C#N)c2I)cc1F 2079088074 WIHJIXBVGAGGMS-KRWDZBQOSA-N 425.289 5.176 30 10 IKEE C#CCN(C[C@@H](NCCC)c1c(Br)ccc(Cl)c1F)C(=O)OC(C)(C)C 2098959137 NESWQNMPXTVAPS-OAHLLOKOSA-N 447.776 5.153 30 10 IKEE CCN[C@@H](CC#C[Si](C)(C)C)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2130925204 MVDGXEVYNRKCFG-SFHVURJKSA-N 439.470 5.718 30 10 IKEE C=CC[C@H]1CCCC[C@@H]1NCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134722092 MLDPFRZPXDPTEL-NSOVKSMOSA-N 441.615 7.069 30 10 IKEE CCC[C@H]1CCOCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2165348675 NVXIDSXIRJQABP-HRAATJIYSA-N 437.378 5.680 30 10 IKEE C=CCN(CC(=C)Br)C(=O)CC[C@H](CCNC(=O)OC(C)(C)C)C(C)(C)C 2180917118 RMFLNIKZCZCFCA-QGZVFWFLSA-N 445.442 5.267 30 10 IKEE C=CCN(CC(=C)Br)C(=O)c1cc(C(C)C)ccc1NC(=O)OC(C)(C)C 2201545775 WFMMMXGCLLALDN-UHFFFAOYSA-N 437.378 5.694 30 10 IKEE C=CCCCCC[C@@H](N)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229130820 SQWHFEDYHGRAAA-RTBURBONSA-N 425.411 5.349 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)cc1Cl 2230370282 CZZBGMNVMFGZSV-QZTJIDSGSA-N 445.829 6.003 30 10 IKEE C=CCCCCCCC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237413393 FIKZEZDWKQJCGM-IBGZPJMESA-N 438.406 5.981 30 10 IKEE CCCCCCCC[C@@H](C)Nc1ccc(Cl)c(I)c1Cl 2240666252 LFBADQUYLRCAAN-GFCCVEGCSA-N 428.185 7.149 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C1(NC(=O)OC(C)(C)C)CC2(CC(C)C2)C1 2260722159 WMSGTOIZYUZPNQ-ZUYRXOBYSA-N 442.644 5.601 30 10 IKEE CN[C@H](C#Cc1ccccc1Br)c1c(C)cccc1NC(=O)OC(C)(C)C 2283408656 LSZGGVHHUSVFPI-GOSISDBHSA-N 429.358 5.417 30 10 IKEE CCCN1C(=O)C(=Cc2cc(C)n(-c3ccc(OC)cc3)c2C)SC1=Nc1ccccc1 2293722868 XMTUERJUKQHQAP-UHFFFAOYSA-N 445.588 6.117 30 10 IKEE CCOc1ccc(N=C2NC(=O)C(=Cc3cc(C)n(-c4cc(C)ccn4)c3C)S2)cc1 2294014073 YHMVZBXKXHSXDK-UHFFFAOYSA-N 432.549 5.088 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@](C)(NC(=O)OC(C)(C)C)C(C)C 2296228258 XGGZOKXMIGZHQB-SIKLNZKXSA-N 437.422 5.108 30 10 IKEE CCOc1cc(C=C2Sc3ccccc3C2=O)cc(I)c1OC 2296907942 HERMCXVZVCSPNV-UHFFFAOYSA-N 438.286 5.028 30 10 IKEE CCc1ccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C2CC2)cc1 2320892240 WIKUCIPWFPTCRY-UHFFFAOYSA-N 431.392 6.199 30 10 IKEE COc1cc(C=NNc2nc(C)cc(C)n2)ccc1OCc1ccc(Cl)cc1Cl 2321699222 SYUQWZSEPIDRLQ-UHFFFAOYSA-N 431.323 5.434 30 10 IKEE CCCCC[C@H](CC)N1COc2ccc3c(c2C1)OC(=Cc1ccc2c(c1)OCO2)C3=O 2322072654 IFEYUPOPNJJDJH-SFHVURJKSA-N 435.520 5.542 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C)cc2)c1OCC(=O)Nc1cc(C)cc(C)c1 2322601454 YEVLQGUFTLXKIO-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C(C)C)cc2)c1OCC(=O)Nc1ccccc1C 2322738116 OZBLHMGIOGTJSC-UHFFFAOYSA-N 443.543 6.041 30 10 IKEE CCOc1ccc(OCC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C)cc2)C3=O)cc1 2323076272 YKAISAVSOBXZEK-UHFFFAOYSA-N 444.483 5.303 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)c4ccc(Cl)c(Cl)c4)ccc3C2=O)c1 2323259196 TXVDZZUPVCFPPH-UHFFFAOYSA-N 425.267 6.137 30 10 IKEE COc1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)cc1 2323423542 FGNXFPGGPJIYPM-UHFFFAOYSA-N 430.431 5.378 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3cccc(C)c3)c([N+](=O)[O-])c2)cc1OC 2323444310 DDENOLFDBJUEBY-UHFFFAOYSA-N 433.460 5.396 30 10 IKEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@@H](C2CCC2)C1 2323474387 OMJZZYNYNQVOQQ-ATIYNZHBSA-N 442.600 5.088 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccccc1)C2=O)c1cccc(OCc2ccccc2)c1 2323842684 ICGKUPGGSGJXLM-UHFFFAOYSA-N 448.474 6.101 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2sccc2C)C3=O)cc1 2323866094 POBRBFWHJSTYSV-UHFFFAOYSA-N 432.497 5.765 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3C)c([N+](=O)[O-])c2)ccc1F 2323974907 OSADIPAFIFWTBR-UHFFFAOYSA-N 448.450 5.264 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)cc1F 2324102956 OGIVSPHOVOKMPL-UHFFFAOYSA-N 444.861 6.111 30 10 IKEE CCCN(CCC)C(=O)COc1c(Cl)cc(C=CC(=O)c2ccc(F)cc2)cc1OC 2324175875 IXSUELYXGRJHHY-UHFFFAOYSA-N 447.934 5.411 30 10 IKEE Cc1cc(O[C@H](C)C(=O)Nc2cccc(Cl)c2C)cc2c1C(=O)C(=Cc1ccccc1)O2 2324431275 QLCFMKYWHBWASO-QGZVFWFLSA-N 447.918 5.979 30 10 IKEE CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2C)C3=O)c1 2324825899 ZDRXRRPMOVIXTO-GOSISDBHSA-N 441.483 5.220 30 10 IKEE Cc1ccc(CCOc2ccc3c(c2)OC(=Cc2c(Cl)cccc2Cl)C3=O)cc1 2325367075 GPAYGDHQIKSSEB-UHFFFAOYSA-N 425.311 6.540 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCC(=O)Nc4ccc(Cl)cc4C)cc(C)c3C2=O)c1 2325716583 FFWUPQYMMRYEQE-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(F)c(F)c2)c1)c1ccc(Br)cc1 2325716644 VBJQTCKTOVFBBM-UHFFFAOYSA-N 443.243 5.843 30 10 IKEE Cc1c(OCC(=O)Nc2ccccc2C(C)C)ccc2c1OC(=Cc1ccccc1F)C2=O 2325726452 WTBQFKSIWODSCJ-UHFFFAOYSA-N 445.490 5.891 30 10 IKEE Cc1cccc(C)c1OCC(=O)Oc1cccc(C=CC(=O)c2ccc(C(C)C)cc2)c1 2325750781 FFFDOPPCLUAJGS-UHFFFAOYSA-N 428.528 6.307 30 10 IKEE COc1ccccc1CC(=O)Oc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC 2325759709 JUIYZZWWUFDFBA-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccc(OC)c(OC(C)C)c1 2326382462 GGDUCTARGXSVFB-UHFFFAOYSA-N 438.597 5.509 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCC(=C)C)n1N=Cc1cccc(F)c1 2326460699 FZYUUWLNFGMPJX-UHFFFAOYSA-N 438.528 5.111 30 10 IKEE C=CCSc1nnc(COc2cc(F)ccc2F)n1N=Cc1ccccc1OC(C)C 2327476099 BAIPRFHQFUBMSD-UHFFFAOYSA-N 444.507 5.083 30 10 IKEE Cc1cccc(C=Nn2c(CCc3ccc(Cl)cc3)nnc2SCc2ccccc2)c1 2328056543 OAOKEPUZCAWFLN-UHFFFAOYSA-N 447.007 6.200 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2ccccc2)n1N=Cc1ccccc1O 2328557058 YXCVAACIKWATMF-UHFFFAOYSA-N 444.560 5.354 30 10 IKEE Cc1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2[C@H](C)c2ccccc2)cc1 2330050971 KRAJNRBFLITHDC-OAQYLSRUSA-N 426.589 6.221 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(O)c(O)c1 2330066087 JFLZUARIXWNTFH-INIZCTEOSA-N 448.523 5.155 30 10 IKEE OCCCSc1nnc(CC2CCCCC2)n1N=Cc1ccc(Cl)cc1Cl 2330284600 UTZKTMHXESDJFY-UHFFFAOYSA-N 427.401 5.064 30 10 IKEE COc1ccc(C=Nn2c(Cc3cccs3)nnc2SCc2ccccc2C)cc1 2330330527 FDVAEFSZLKOFBY-UHFFFAOYSA-N 434.590 5.422 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2)c(Cl)c1)c1ccc(-c2ccccc2)cc1 2330599711 NHSNPYYGXONOLA-UHFFFAOYSA-N 438.910 7.122 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC(C)C)NC(=O)C=Cc1ccccc1[N+](=O)[O-] 2330662057 KJDHPJKXKZEYEE-JOCHJYFZSA-N 445.604 5.396 30 10 IKEE O=C(Cc1cccs1)Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1[N+](=O)[O-] 2330929637 WEERSQHRRTWBKI-UHFFFAOYSA-N 427.865 5.354 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@H]2C[C@H]2c2ccccc2Cl)c([N+](=O)[O-])c1)c1ccccc1 2331174146 ZOTRWDIECRTBBP-PMACEKPBSA-N 447.874 5.853 30 10 IKEE Fc1cccc(CSc2nnc(-c3ccco3)n2N=Cc2c(F)cccc2Cl)c1 2331187660 MULJRVPNQCTYOZ-UHFFFAOYSA-N 430.867 5.644 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1[N+](=O)[O-] 2331225246 BGFISRZWVJTVPZ-UHFFFAOYSA-N 437.536 6.764 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cc(C)ccc3C)c([N+](=O)[O-])c2)c(C)c1 2331225504 DCDFOMJEWDANOW-UHFFFAOYSA-N 443.499 5.873 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC(=O)c1ccco1 2331239882 NYFWYARRSXKJKW-UHFFFAOYSA-N 447.270 5.719 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1cccc(OC)c1 2331286576 MDUMWHRZHZGFGM-UHFFFAOYSA-N 442.511 5.856 30 10 IKEE Cc1cccc(CSc2nnc(C3CCC3)n2N=Cc2ccc(Br)cc2)c1 2331498059 DANQOJKZWYUXMO-UHFFFAOYSA-N 441.398 5.791 30 10 IKEE CCCCCOc1ccc(C=Nn2c(COC)nnc2SCc2ccc(C)cc2)cc1 2331549120 FWWUQHGITPHFEL-UHFFFAOYSA-N 438.597 5.476 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C(C)C)cc1 2331706611 AMBCGLKEPUTACR-UHFFFAOYSA-N 442.032 6.076 30 10 IKEE CCN[C@@H](C#CC1(OC)CCC1)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2362768073 OJQULAGXDXCQRH-SFHVURJKSA-N 437.378 5.019 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cn(C[C@@H](O)CN3CCCCCC3)c3ccccc23)cc1 8611844 REJABDIKGFAATL-LXGWOEDASA-N 446.591 5.173 30 10 IKEE aggregator COc1ccc(/C=N/c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)c2ccccc12 12493134 SYEVULIKYRBUAD-OVVQPSECSA-N 444.556 5.420 30 10 IKEE C[C@@H]1CN(CN2C(=O)/C(=N\c3ccc4c(c3)oc3ccccc34)c3ccccc32)C[C@@H](C)O1 16609490 ASMAXZXPVOCRLW-BFPVORGTSA-N 439.515 5.120 30 10 IKEE Cc1ccc([C@@H]2C3=C(C[C@@H](c4ccc(Cl)cc4)CC3=O)Nc3nc4ccccc4n32)cc1 19630841 KCMFTPKDKRHZFW-NIYFSFCBSA-N 439.946 6.414 30 10 IKEE COc1ccc(OC)c([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)c1 21258330 QCTYFKJCYALZPA-GDJIYFAZSA-N 440.543 5.992 30 10 IKEE CCOc1cc([C@@H]2C3=C(C[C@H](c4ccccc4O)CC3=O)Nc3onc(C)c32)ccc1OC 21349715 QBUAXCKLUMGEGR-FYSMJZIKSA-N 446.503 5.054 30 10 IKEE COc1ccc(/C=C2/Oc3cc(OCc4ccccc4F)ccc3C2=O)c(OC)c1OC 34856760 HPGLSDJQVRZFIM-WSDLNYQXSA-N 436.435 5.047 30 10 IKEE O=C(/C=C\c1ccccc1)C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc(F)cc1 35444886 JFWBNPFXPIDHSA-KYEJRSDJSA-N 427.475 5.046 30 10 IKEE CC[C@H](C)n1c(O)c(C(=O)c2sc3cccc(Cl)c3c2Cl)c(C)c(C#N)c1=O 38617234 HWDLJZWDXJXJJI-VIFPVBQESA-N 435.332 5.458 30 10 IKEE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\Oc3ccc(C)cc3C2=O)cc1F 39842432 ULTXWCFXYLKXNG-MYYYXRDXSA-N 440.474 6.002 30 10 IKEE Cn1cccc1/C=C1/S/C(=N/c2nc(-c3ccccc3)cs2)N(C2CCCCC2)C1=O 39866037 ORNBYCMEBSCLMN-OIHHALDZSA-N 448.617 6.085 30 10 IKEE C=CCc1ccccc1OCCn1c([C@@H](C)Oc2ccc(Cl)c(C)c2)nc2ccccc21 40237357 GWNCJMUEGFTWDY-HXUWFJFHSA-N 446.978 6.946 30 10 IKEE O=C1C[C@H](c2ccccc2Cl)CC2=C1[C@@H]1c3ccccc3C(=O)N1c1ccccc1N2 58866569 VICLPBTVNZPSRU-BZQUYTCOSA-N 426.903 5.868 30 10 IKEE CC(C)Sc1nnc(N/N=C/c2ccccc2OCc2cccc(Br)c2)[nH]1 59019340 OXVSGNBZRDQGDX-SRZZPIQSSA-N 446.374 5.093 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(ccc(OCc4ccc(F)cc4)c3C)C2=O)cc1 62942288 LCMOURZRCZPJRF-XYGWBWBKSA-N 431.507 6.176 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccco3)CO4)C2=O)cc1 62993139 JKOCCZNWNCHFDZ-OYKKKHCWSA-N 430.504 5.094 30 10 IKEE COc1ccc(-c2cc(/C(C)=N/OCc3ccc(F)cc3)c(C)n2-c2cccc(C)c2)cc1 97632661 RWFBDSRFTGHMNZ-TWKHWXDSSA-N 442.534 6.850 30 10 IKEE CCCCCCCOc1ccc(NCC(=O)Nc2ccc(CCC(=O)N(C)C)cc2)cc1 100077902 CNTRIKBEMRCCTF-UHFFFAOYSA-N 439.600 5.107 30 10 IKEE CCCCCCCCCCCCCCCCNCc1c(OCC)ccc2ccccc12 100125462 BRCCGDDVXBRKGH-UHFFFAOYSA-N 425.701 8.809 30 10 IKEE CCCCCCCCCCCCn1c(CNC(=O)CCc2ccccc2)nc2ccccc21 102125585 JDOGPDXKRAVVFM-UHFFFAOYSA-N 447.667 7.206 30 10 IKEE CCCCCCCCn1c(CCNC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21 102139469 FRQJLXUUWANXQD-UHFFFAOYSA-N 437.584 5.387 30 10 IKEE CCCCCCCCCn1c(CCCNC(=O)c2cccc(OC)c2)nc2ccccc21 102152396 KNBGCYCHGIXVAB-UHFFFAOYSA-N 435.612 6.158 30 10 IKEE CCCCCCCCCCCCCCCCn1c(/C=C/c2ccccc2)nc2ccccc21 102191659 JEQMDSWFPMYXKH-OCEACIFDSA-N 444.707 9.688 30 10 IKEE COCCN1C(=O)/C(=C/c2ccc(OC(F)F)cc2)S/C1=N\c1ccc(Cl)cc1 102926929 LVAYEQLTNCFIGP-MAWDPOHQSA-N 438.883 5.192 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccccc2C)cc1 169926551 PJBKKWZYRSKTCL-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE CCCN1C(=S)N[C@@H](c2ccc(OC)c(OC)c2Cl)C(C(=O)c2ccccc2)=C1C 169929013 CJTHOWROPRWLMB-FQEVSTJZSA-N 444.984 5.155 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccnc1 170006157 DOQIUFGQGQNQDB-FQEVSTJZSA-N 439.298 5.480 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccccc1F 170070611 SWRRGBJNJLSXJD-QHCPKHFHSA-N 435.882 5.581 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]2c2ccco2)s1 170094101 RYGANKIBHULXFI-MRXNPFEDSA-N 448.422 5.155 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1ccc(OC(C)C)cc1 170152271 JXTWEPAFLMJRRQ-QHCPKHFHSA-N 437.536 5.249 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2cccs2)cc1 170156953 HOKCDOHRJRINTB-DEOSSOPVSA-N 439.536 6.247 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)cc(C)c3OC)[C@H]2c2cccs2)cc1 170157629 QMMRYAYFAFNOFU-OAQYLSRUSA-N 449.528 5.165 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccs2)c1C 170158971 JGAYWARBJSLOLJ-NPMXOYFQSA-N 445.540 5.471 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(OC)ccc3Cl)[C@H]2c2ccncc2)cc1 170201248 HWENPXUEGVRKRV-JOCHJYFZSA-N 448.906 5.089 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2CCC)cc1 170215650 CQMNZZDAOAWHEW-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@H]1c1ccc(C(C)C)cc1 170245457 XTOGLGMKOBYTMY-JOCHJYFZSA-N 441.955 5.850 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2F)cc1C 170249533 AHBWCQPPDUVNHL-XMMPIXPASA-N 445.490 5.542 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@H]1c1ccc(CC)cc1 170267827 ASBCCPJLDUSMNT-XMMPIXPASA-N 435.564 5.759 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1C 170271096 HBZQQLOOEYIGTA-HSZRJFAPSA-N 445.490 5.542 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2C)ccc1OC(C)C 170272240 DJHJHCGEBBMERQ-RUZDIDTESA-N 441.527 5.874 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccco2)cc1C(C)C 170285607 PWPBKWGCDQBGGX-XMMPIXPASA-N 445.515 5.811 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2c2ccc(F)cc2)o1 170299728 FEIWCNNNBQWNOG-QHCPKHFHSA-N 449.478 5.545 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccc(C)o2)cc1C 170300487 OAZSZKMMZKRMBU-XMMPIXPASA-N 445.515 5.777 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@H]1c1sccc1C 170318583 BXWNIZOMFQCVER-NRFANRHFSA-N 441.593 5.957 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(OC)c(OC)c2)cc1 170391037 YODMJNGGTXDELE-JOCHJYFZSA-N 449.528 5.111 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2c[nH]c3ccccc23)cc1 170423099 RMGCXKDBWLNHHZ-JOCHJYFZSA-N 444.512 5.017 30 10 IKEE Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 170558827 PKIAPZHYRNGUCP-UHFFFAOYSA-N 448.363 6.548 30 10 IKEE CCCCCCCCCCn1c([C@@H](C)NC(=O)/C=C/c2ccccc2)nc2ccccc21 205700051 BKVDIIFTJLSEMZ-JRWGXLCNSA-N 431.624 7.068 30 10 IKEE O=C(CSc1ncc(C(F)(F)F)cc1C(F)(F)F)c1cccc(C(F)(F)F)c1 247742184 OXGZZZGIMZQFRV-UHFFFAOYSA-N 433.295 6.113 30 10 IKEE CCOc1cc([N+](=O)[O-])cc(C=Nc2ccc3oc(-c4ccc(N(C)C)cc4)nc3c2)c1O 254870900 KCEXIVWNDDRQJQ-UHFFFAOYSA-N 446.463 5.324 30 10 IKEE CCN(CC)c1ccc2c(c1)O[C@@H]1CC(=[N+](CC)CC)CC[C@@H]1[C@H]2c1ccccc1C(=O)O 504643097 HNBUJSWRNUREIK-OIKPOIBNSA-O 449.615 5.417 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(O)cc1 526608432 JCEDIQLBFCWSJK-NRFANRHFSA-N 437.282 5.628 30 10 IKEE CCCCOc1ccc(/C=N\n2c(CCCC)nnc2SCc2ccc(F)cc2)cc1 526803099 RIQGJRKHKQSIOA-ONUIUJJFSA-N 440.588 6.113 30 10 IKEE CCCOc1ccc(/C=N\n2c(C)nnc2SCc2ccc(Cl)cc2)cc1OC 526806707 SGBPLWPZXIYKPX-QRVIBDJDSA-N 430.961 5.212 30 10 IKEE CCc1nnc(SCc2ccc(Br)cc2)n1/N=C\c1ccccc1Cl 526820783 HSPGZFMKERAPSU-NHDPSOOVSA-N 435.778 5.431 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H]1C(C)(C)[C@]2(C#N)Nc1ccccc1Br 693743054 WNRRFXSIHLCJQK-SOIKWTOOSA-N 434.378 5.179 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@H](C#N)c1cccc(Cl)c1Br 719683873 JBJTUVLQFZGCNI-HNNXBMFYSA-N 441.778 6.166 30 10 IKEE N#Cc1nc(-c2ccccc2Br)c(-c2ccccc2Br)nc1C#N 725332498 VABMMOFKSVDSFU-UHFFFAOYSA-N 440.098 5.079 30 10 IKEE CCNC(=S)NN=Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 1083852558 SRNNKAZBUFTTSC-UHFFFAOYSA-N 446.787 5.052 30 10 IKEE CCCCCOc1ccc(C=NNc2nc(-c3ccc(Br)cc3)cs2)cc1 1084443127 QMMJOUNOUDAUQC-UHFFFAOYSA-N 444.398 6.588 30 10 IKEE O=C1/C(=C/c2cccc(Br)c2)SC(=Nc2nccs2)N1C1CCCCC1 1772732991 GGWZDUYQFUUVQH-PALNNIJKSA-N 448.411 5.842 30 10 IKEE O=C1/C(=C\c2cccc3ccccc23)SC(=Nc2ccncc2Cl)N1C1CCCCC1 1772733646 AOWZKEPLKBMHPK-KOXZJICBSA-N 447.991 6.825 30 10 IKEE C=CCN1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=Nc1nc(-c2ccccc2)cs1 1772740222 ZCAJPDQMZRYJHP-STVRALQESA-N 442.569 6.081 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc3c(OC(=O)NCc4ccc(F)cc4)cccc23)c1 1858944488 DWNNBXXBJQTYFY-UHFFFAOYSA-N 439.446 5.391 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2Cl)=C(O)C(=O)N1C1CCCC1 1862379826 LUUNZYUOFRIJTO-HXUWFJFHSA-N 430.331 5.823 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@H]2c2ccccc2F)c1 1862411974 SSLDLDSBFCBCAY-JOCHJYFZSA-N 437.417 5.191 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2ccccc2)c1 1862419388 ROSBOFBAFUGQGB-HSZRJFAPSA-N 449.453 5.142 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccc(O)c(O)c1)c1cccc(Cl)c1 1862444515 ACLSLEBGDAKQAU-OAQYLSRUSA-N 441.911 5.052 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 1862477411 LYVNMYXCTNTZTP-VWLOTQADSA-N 440.543 5.148 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@H](C)CC)cc1 1862497243 FDFPBSURIYKQGR-NLFFAJNJSA-N 449.591 6.249 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2cccc(Cl)c2)ccc1F 1862502710 HNTHMTHWHRVHQP-NRFANRHFSA-N 445.918 5.181 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccccc1F 1862524030 VYSYZIUFEBDFJK-IBGZPJMESA-N 446.316 5.357 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862623070 QHCHOZDUMGVJBO-MHECFPHRSA-N 449.591 6.150 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cc(Cl)cc(Cl)c1 1862658143 MSMYYHMJFKYCRW-OAQYLSRUSA-N 440.326 6.133 30 10 IKEE N#Cc1ccccc1N1C(=O)C(Nc2ccccc2Cl)=C(c2ccccc2Cl)C1=O 1863083093 GWFJRMDACJUEJK-UHFFFAOYSA-N 434.282 5.262 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2cccs2)=C(c2cccc3ccccc23)C1=O 1863583944 UTIBLRRBZKUWNZ-UHFFFAOYSA-N 446.616 6.132 30 10 IKEE COCCc1nc(Nc2ccccc2C#N)cc(N2CCc3ccccc3[C@@H]2C(C)C)n1 1868262525 XFJGSEWHRBXLDW-SANMLTNESA-N 427.552 5.041 30 10 IKEE CCCc1nc(Nc2ccc(C#N)cc2)cc(N2CCO[C@@H](c3ccc(CC)cc3)C2)n1 1868401173 QJPWEOFWQCPCKP-HSZRJFAPSA-N 427.552 5.185 30 10 IKEE CCCCCCCCn1cc(OCCO)c(=O)cc1CNc1ccc(N(CC)CC)cc1 1870790953 WOYPYIIQPQAGGX-UHFFFAOYSA-N 443.632 5.038 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)c(Cl)c2)c(=O)cc1CNc1ccccc1CC 1870826210 RTKTYXJOWOYXBE-UHFFFAOYSA-N 443.374 6.095 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCCC)c(=O)cc1CNc1ccccc1C 1871235841 CVVBETKLITWSQR-UHFFFAOYSA-N 442.600 5.461 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)cc2Cl)c(=O)cc1CNc1ccc(C)cc1 1871248814 DAZMGSBBKNVJQL-UHFFFAOYSA-N 429.347 5.841 30 10 IKEE CCc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2Cc2ccccc2)cc1 1871252336 WGESXDLIAAWPAK-UHFFFAOYSA-N 449.554 5.522 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O)c1ccc(Cl)c(Cl)c1 1871372502 VUGUXRRASATFQN-UKWGHVSLSA-N 445.685 6.482 30 10 IKEE Cc1c(OC(=O)/C=C/c2ccc(C(C)C)cc2)ccc2c1O/C(=C\c1cccc(F)c1)C2=O 1871380086 VQYPWIVYQOFECE-NCEOBYAFSA-N 442.486 6.493 30 10 IKEE Cc1c(OC(=O)CCc2cccs2)ccc2c1O/C(=C\c1cn(C)c3ccccc13)C2=O 1871392423 WCEOCQUTRIRILK-UCQKPKSFSA-N 443.524 5.703 30 10 IKEE CCCCCCOc1ccc2c(c1C)O/C(=C\c1cc(Br)ccc1OC)C2=O 1871399676 RYTNWZBNTJTAIK-STZFKDTASA-N 445.353 6.341 30 10 IKEE Cc1cccc(OCCOc2cc(C)c3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)c1 1871406827 JZZGZDDYHLMIGQ-QQXSKIMKSA-N 428.528 6.501 30 10 IKEE COc1ccc(Br)cc1/C=C1\Oc2cc(OCCC(C)C)cc(C)c2C1=O 1871411085 HWRZMJLDKULDFL-JAIQZWGSSA-N 431.326 5.807 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1ccc2c(c1)O/C(=C\c1sccc1C)C2=O 1871424214 BGNVXBQYEYTWBJ-BKUYFWCQSA-N 433.529 5.561 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4cccc(C)c4C)c3C)C2=O)cc1 1871459710 YSCMMYJYWOKZLG-MYYYXRDXSA-N 441.527 5.808 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(Cl)cc2)[nH]c(N2CCCC2)n1 1871523434 OODQZCKJFFQHOL-UHFFFAOYSA-N 431.028 5.843 30 10 IKEE CC(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c1 1872759693 WKWCJPQMKPUPRW-HSZRJFAPSA-N 437.524 5.926 30 10 IKEE CC(C)COc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)c1 1872760317 LQMDNDHLJJRRKF-HSZRJFAPSA-N 426.541 6.488 30 10 IKEE CCc1ccc(-c2csc([C@H](C#N)C(=O)COc3cc(Cl)ccc3Cl)n2)cc1 1872761092 GFIZVOFZOVAVPJ-MRXNPFEDSA-N 431.344 5.935 30 10 IKEE COc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(F)cc3)cs2)c(C(C)(C)C)c1 1872775804 ATAQMULGJKKPLN-SFHVURJKSA-N 438.524 5.511 30 10 IKEE CCCCCCCOc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3cccs3)n2)cc1 1872776401 OXAOBAPTKCXVCN-NRFANRHFSA-N 438.618 6.640 30 10 IKEE COc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872788177 WMYFYFHWDCEZLJ-CQSZACIVSA-N 433.316 5.381 30 10 IKEE Cc1nc(SCc2ccc(C(=O)Nc3ccc(C(C)(C)C)cc3)cc2)c(C#N)c(C)c1C 1872895507 YOAIFDLOHFBVPM-UHFFFAOYSA-N 443.616 6.721 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(-n3cccc3)cc2)C(=O)N(C2CC2)C1=O 1873037622 YRWFRCKUKYNIQW-UHFFFAOYSA-N 433.596 5.450 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(-c3ccccc3)cc2)C(=O)N(CC)C1=O 1873086120 XARMBOHKFDLZJE-UHFFFAOYSA-N 432.608 6.184 30 10 IKEE CCCCCCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N([C@@H](C)CC)C1=O 1873168974 SKPPFFFHQDJGJQ-FQEVSTJZSA-N 449.639 5.923 30 10 IKEE Cc1cc(C)c(C2=C(Nc3cccc(C#N)c3)C(=O)N(CCCc3ccccc3)C2=O)c(C)c1 1873333627 YEZOESQWZMNPEB-UHFFFAOYSA-N 449.554 5.308 30 10 IKEE CCCCCCCCCCNc1ncnc2c1ccc(=O)n2-c1ccc(N(CC)CC)cc1 1873541847 VQUMUURDGVGKTC-UHFFFAOYSA-N 449.643 6.180 30 10 IKEE C=CCn1c(C(=O)Nc2ccc3nc[nH]c3c2)cc2c(N(CCCC)CCCC)ncnc21 1873662045 CTYBJRFEHGSEMC-UHFFFAOYSA-N 445.571 5.153 30 10 IKEE CCCCCCCCCCNC(=O)Cc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O 1873934882 BVXVXTZTQVKFOR-UHFFFAOYSA-N 439.596 6.572 30 10 IKEE CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1c(Cl)cccc1Cl 1874242058 MPIQBMDLGHQPDC-WYMPLXKRSA-N 435.424 5.948 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccccc3C)n2/N=C/c2cccn2C)CC1 1874285864 BXYSXNAZBHYQNL-OVVQPSECSA-N 449.668 6.564 30 10 IKEE COc1ccc(CCc2nnc(SCc3ccc(C)cc3)n2/N=C/c2ccccc2)cc1 1874304608 IDRGGZDHRILZRZ-OVVQPSECSA-N 442.588 5.555 30 10 IKEE CCCSc1nnc(COc2cccc(C)c2C)n1/N=C/c1c(Cl)cccc1Cl 1874324167 BXKUSVOZFTXBJI-WYMPLXKRSA-N 449.407 6.165 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(Cc2ccc(Cl)cc2)nnc1SCCC 1874343570 XOEHYDVJRJRZLH-LFVJCYFKSA-N 426.973 5.471 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2ccc(Cl)cc2)cc1C 1874358625 RJHTUVFDBSMAAY-JVWAILMASA-N 447.007 6.314 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2F)n1/N=C/c1ccc(F)cc1 1874362601 MTWXSQQCEFQNJD-LQKURTRISA-N 448.542 5.824 30 10 IKEE C=CCSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1ccc(Br)cc1 1874399831 DAOZMHZKPWRIEK-WXUSHSQQSA-N 427.371 5.353 30 10 IKEE Cc1ccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccc(Cl)cc2)cc1 1874405444 YBKMIFKSJILUEU-WGOQTCKBSA-N 439.028 6.537 30 10 IKEE Cc1ccccc1CSc1nnc(CC2CCCCC2)n1/N=C/c1ccccc1C(=O)O 1874406835 XGADYUMWEMCWAZ-WGOQTCKBSA-N 448.592 5.582 30 10 IKEE COc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2cccc(F)c2)cc1OC 1874437580 IPRRXTXJKFYNRS-AFUMVMLFSA-N 442.560 5.198 30 10 IKEE Cc1ccccc1NC(=O)CSc1nnc(C2CCCC2)n1/N=C/c1sccc1C 1874454805 VMWIXPPYVMXMMP-YDZHTSKRSA-N 439.610 5.227 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2cc(C)ccc2C)nnc1C1CCC1 1874495861 JKDWHOBOSIZZLG-WGOQTCKBSA-N 432.593 5.902 30 10 IKEE COCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(Cl)cc1Cl 1874499077 JLIHNGBEPRJWDD-LSFURLLWSA-N 425.316 5.045 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccc(O)c(O)c1 1874508394 AUYCZXNYANELLY-LSHDLFTRSA-N 437.352 5.123 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2cccc(Cl)c2)c(C)c1 1874515305 VNHDEQKTAVZYNP-WYMPLXKRSA-N 441.988 5.285 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1cc(C)ccc1OC 1874581351 JMCGQTNQCKUSIF-CSKARUKUSA-N 443.971 5.581 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(F)c(F)c2)c1OCc1ccccc1F 1874584757 FEKOAJXLFZTDFN-VQHVLOKHSA-N 432.825 6.241 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2)c(Br)c1OCCc1ccccc1 1874595509 OVZYGIUYXBNGJL-WYMLVPIESA-N 437.333 5.975 30 10 IKEE C=C(C)COc1c(OC)ccc(/C=C/C(=O)c2ccc(OC)cc2OC)c1Br 1874598872 JIRQZTSWTKHYGA-UXBLZVDNSA-N 447.325 5.326 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)OCC(C)C)c(OCC)c2)cc1 1874617312 VKRUDLMKVIZIRX-NTUHNPAUSA-N 440.536 5.348 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)c1 1874618039 HBJUQLMELAVGJD-CSKARUKUSA-N 439.324 6.680 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OCc3ccc(C)cc3)c([N+](=O)[O-])c2)c1 1874619384 YKEWNJVIRNDRCC-DHZHZOJOSA-N 433.460 5.396 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2Cl)c1 1874621206 PKRJSWJWOIAVQM-VMPITWQZSA-N 449.890 5.291 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OCCc1ccccc1 1874623044 JLUDWEPMCISHCE-NTEUORMPSA-N 434.963 6.990 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc(Cl)c1OCCCO 1874633761 SRMARRQHPWMQLU-VOTSOKGWSA-N 439.335 5.366 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)ccc1OCc1ccccc1F 1874633925 BREPVLFZEGYGEM-CSKARUKUSA-N 440.898 6.280 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1OC(=O)CC(C)C 1874711099 SOPYEKWRHKSZLB-OQLLNIDSSA-N 430.500 6.335 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccc(F)cc2F)c1 1874715063 BCRVFFVEOLUQBK-RMKNXTFCSA-N 442.845 6.051 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(Cl)c1OC(=O)C(F)(F)F 1875095428 OTLZZWGPCCXQRF-JXMROGBWSA-N 448.824 6.256 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccco1 1875105425 UMYIKTAPSMEGIV-WEVVVXLNSA-N 431.271 6.100 30 10 IKEE CCCCCCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccccc2)cc1OC 1875128498 HBNYJEZUTYHAGI-BUHFOSPRSA-N 445.353 6.230 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)c1ccc(CC)cc1 1875136017 SNUWSJRRONOWOZ-XNTDXEJSSA-N 448.946 6.725 30 10 IKEE CC(C)CC(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1Br 1875149807 JGRKMQJUDSXSNQ-ZZXKWVIFSA-N 431.282 5.025 30 10 IKEE C=C(C[C@H](NCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)OC 1875649245 AKWWQJRZMBKQKG-LSYYVWMOSA-N 447.575 5.406 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)C1CCN(C(=O)OC(C)(C)C)CC1 1944712001 FNWNLSSCCZKPIV-HXUWFJFHSA-N 429.561 5.276 30 10 IKEE C#Cc1ccccc1[C@@H](CCNC(=O)OCC1c2ccccc2-c2ccccc21)CC(=O)O 1952244409 MOZLHIFEUDOOBW-FQEVSTJZSA-N 439.511 5.155 30 10 IKEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 1999926496 KTCIJTBWYICQRK-MHECFPHRSA-N 435.609 5.486 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)NCC 2025199175 VTGHOKRUMNQNHL-NHTMILBNSA-N 430.633 5.601 30 10 IKEE CCC[C@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(OC)cc1 2033624885 WWLSBBFUDWXSJU-XLIONFOSSA-N 447.576 5.270 30 10 IKEE Fc1ccc(C(F)(F)F)nc1-n1nc(C2CCC2)c(Br)c1C(F)(F)F 2078867859 WOEHORRKPHPMCK-UHFFFAOYSA-N 432.137 5.474 30 10 IKEE Fc1ccc(-n2nc(C3CCC3)c(C(F)(F)F)c2Br)cc1C(F)(F)F 2079827480 PDTVBBFLGZMAAT-UHFFFAOYSA-N 431.149 6.079 30 10 IKEE N#Cc1c(-c2ccccc2)nn(Cc2cc(F)cc(Br)c2)c1Br 2080359763 ISTCWNCVHJPZFM-UHFFFAOYSA-N 435.094 5.134 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 2082159733 CRBUAZJNYOKAKW-XHNVNVPESA-N 443.588 5.712 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@@H](C#N)c1c(Cl)cccc1Br 2094995057 PFOWYGFKOOTFGI-INIZCTEOSA-N 439.712 6.248 30 10 IKEE C=CCC[C@H](C)[C@H](NCCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2102113012 WRVYAESNHXZJDP-KXBFYZLASA-N 425.411 6.439 30 10 IKEE C=C(C)CN(Cc1ccccc1)C(=O)c1sc2cc(Br)cc(F)c2c1N 2107454187 QMHUVNBUMMCGKF-UHFFFAOYSA-N 433.346 5.604 30 10 IKEE CC(C)(C)OC(=O)N1CCc2cccc(Nc3ccc(C#N)c(Br)c3)c2C1 2162418583 TWBHZQPPNBBKJV-UHFFFAOYSA-N 428.330 5.358 30 10 IKEE CCCN(c1cc(Br)c(C#N)cc1F)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2174811630 ADBCSKAPMAUMRM-OAHLLOKOSA-N 440.357 5.076 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1cc(Cl)cc(C)c1NC(=O)OC(C)(C)C 2217418173 MIPWIEJAANNLPO-QFIPXVFZSA-N 445.003 6.419 30 10 IKEE CCCN[C@H](C#Cc1ccc(CC)cc1)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 2223326586 OPTKIVMCKKWMCP-AREMUKBSSA-N 434.624 5.796 30 10 IKEE Cc1sc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)c(C)c1C 2228570923 KIQSBXYEAWNXFZ-KRWDZBQOSA-N 435.387 6.442 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)C[C@H]2CC[C@H]1C2 2248360539 MSBZIWUJABMXFD-HZLPDVBGSA-N 428.617 5.211 30 10 IKEE C=CC[C@@]1(COc2nc(C)ccc2Br)CCCCN1C(=O)OC(C)(C)C 2272233536 DXBPZGWAVXESKO-FQEVSTJZSA-N 425.367 5.267 30 10 IKEE CN1C(=C2SC(=Nc3ccccc3)N(c3ccc(O)cc3)C2=O)Sc2ccccc21 2295203815 HWWXRDDOQICNPQ-UHFFFAOYSA-N 431.542 5.571 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)CC[C@@H](C)CCNC(=O)OC(C)(C)C 2296310845 OOUNCMJJBLXLMD-YLJYHZDGSA-N 437.422 5.110 30 10 IKEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)C)cc2)cc1 2296603210 COKJKTOCEYAQRT-HSZRJFAPSA-N 446.503 5.131 30 10 IKEE CCC(C)(C)[C@H]1CCc2sc3ncnc(NN=CC=Cc4ccccc4OC)c3c2C1 2297308477 OQMKVRXONMWMOV-SFHVURJKSA-N 434.609 6.352 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@@H]3C[C@H](OCc4ccccc4)C[C@@H]32)cc1 2310844558 OTWOIRBNFVMCJV-HZMCFHPPSA-N 432.564 6.014 30 10 IKEE O=C(C=Cc1ccccc1)Oc1ccccc1C=CC(=O)c1ccc(-c2ccccc2)cc1 2314429524 JBCIHAWZXBNLHL-UHFFFAOYSA-N 430.503 6.869 30 10 IKEE CC(=C1SC(=Nc2cccc(C(=O)O)c2)N(c2ccccc2)C1=O)c1ccc(Cl)cc1 2314547316 GFJHSECZKYDYJV-UHFFFAOYSA-N 448.931 6.237 30 10 IKEE Cc1ccc(C)c(COc2cc(C)c3c(c2)OC(=Cc2cccc(Br)c2)C3=O)c1 2321755823 NCDGVIOPXBURCB-UHFFFAOYSA-N 449.344 6.570 30 10 IKEE Cc1c2c(cc3c1OC(=CC=Cc1ccccc1)C3=O)CN(C1CCCCCCC1)CO2 2322415279 ZYWIYMRFUBEPQX-UHFFFAOYSA-N 429.560 6.432 30 10 IKEE Cc1ccc(CCN2COc3c(cc4c(c3C)OC(=Cc3ccc(F)cc3)C4=O)C2)cc1 2322433388 PXDVRRVAWZTXKR-UHFFFAOYSA-N 429.491 5.453 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3cc(OC(=O)c4ccccc4)cc(C)c3C1=O)cn2C 2322659912 FBPDUMSUTJAZCO-UHFFFAOYSA-N 439.467 5.331 30 10 IKEE COc1cccc(C=CC(=O)c2ccc3c(c2)OCCO3)c1OCc1cccc(Cl)c1 2322680981 NMZZBHLTYWQQMG-UHFFFAOYSA-N 436.891 5.595 30 10 IKEE COC(=O)c1ccc(COc2ccc3ccccc3c2C=CC(=O)c2ccc(F)cc2)o1 2322748028 DQSXBBVBEQNDCR-UHFFFAOYSA-N 430.431 5.834 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)c1 2323178088 GUCWNFBWNMZPLN-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE C=CCOc1c(OC)ccc(C=CC(=O)c2cc(C)cc(C)c2OC)c1Br 2323259798 IJRWPBKVLZCQQG-UHFFFAOYSA-N 431.326 5.544 30 10 IKEE Cc1cc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(Cl)cc2)C3=O)ccc1[N+](=O)[O-] 2323279780 KYDHRYLYGSRJSP-UHFFFAOYSA-N 449.846 5.700 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OCC(=O)Nc2ccccc2)c1 2323303910 ZPOIOHURNBRWLS-UHFFFAOYSA-N 427.544 6.206 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1cccc(Cl)c1)C2=O)C(Cl)=Cc1ccccc1 2323438256 KKJWGNWOHNMNFR-UHFFFAOYSA-N 437.278 6.142 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccccc1F 2323840550 QAQQAICOYMVYDR-UHFFFAOYSA-N 446.518 6.437 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCC(=O)OCc4ccccc4)cc(C)c3C2=O)cc1 2324234213 BQZBWFMEIBEYGS-UHFFFAOYSA-N 444.483 5.132 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cc1C 2324447357 SFDOVRHRGBRBQU-UHFFFAOYSA-N 437.898 6.010 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OCCCCOc4ccccc4)c3C)C2=O)cc1 2324584885 KXDDPGXHVSOLML-UHFFFAOYSA-N 428.528 6.412 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3Cl)cc2)c(OC)c1OC 2324718665 NOXLHNBXHNVORA-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE N#Cc1ccc(COc2ccc3c(c2)OC(=Cc2ccc(-c4ccccc4)cc2)C3=O)cc1 2324756898 RZIIRMPVZKRZLJ-UHFFFAOYSA-N 429.475 6.420 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1ccc2c(c1C)OC(=Cc1cccc(F)c1)C2=O 2325005340 AMEKXGSLBLULCP-UHFFFAOYSA-N 445.490 5.639 30 10 IKEE SCCCCCCCOCc1ccc(I)c(Br)c1 2325382230 UENAULQHNBMDSW-UHFFFAOYSA-N 443.188 5.451 30 10 IKEE CCCOc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2)cc1 2325485963 UCKGDXPMWTZAMR-UHFFFAOYSA-N 442.588 5.832 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(Br)cc3)c2)cc1 2325705385 XWEFSTHAWOAPDV-UHFFFAOYSA-N 449.344 6.056 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1OC(=O)c1ccc(F)c(F)c1F 2325753147 FQTXPANJSSYRGX-UHFFFAOYSA-N 448.343 5.506 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1OC(=O)CCc1ccccc1 2325757308 GCWPSLZZNKSXCQ-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE Cc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccc(Cl)cc2)o1 2326366121 FWLYTWOCNYDIHA-UHFFFAOYSA-N 436.968 5.793 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(OCC)cc2)n1N=Cc1ccc(Cl)cc1 2326660869 BZMMGHOMDHWFKD-UHFFFAOYSA-N 442.972 5.460 30 10 IKEE CCCOc1cccc(C=Nn2c(COc3ccc(CCC)cc3)nnc2SCC)c1 2327358466 RXMWWYUBUOSNDJ-UHFFFAOYSA-N 438.597 5.593 30 10 IKEE Fc1cccc(CSc2nnc(COc3ccccc3Cl)n2N=Cc2ccco2)c1 2327632792 YHYRSSRRUPLZKO-UHFFFAOYSA-N 442.903 5.417 30 10 IKEE CCCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1cn(C)c2ccccc12 2328075415 PZZLSDWSZDKACJ-UHFFFAOYSA-N 438.000 5.593 30 10 IKEE Cc1ccc(OCc2nnc(SCc3cccc(F)c3)n2N=Cc2ccccc2)c(C)c1 2328888195 MFFWMVSXIPHOFU-UHFFFAOYSA-N 446.551 5.788 30 10 IKEE Cc1ccsc1C=Nn1c(SCc2ccc(F)cc2)nnc1-c1ccccc1Cl 2329539944 VMILNRGBLYNNHF-UHFFFAOYSA-N 442.972 6.282 30 10 IKEE OCCCSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(Cl)cc1Cl 2329609177 LSIZVLCHLHKSAV-UHFFFAOYSA-N 441.771 5.262 30 10 IKEE C=C(C)CSc1nnc(Cc2ccccc2F)n1N=Cc1c(OC)ccc2ccccc12 2329741151 NSMGCHSRHHPPFJ-UHFFFAOYSA-N 446.551 5.720 30 10 IKEE CCSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1ccc(OCc2ccccc2)cc1 2330092026 RQOCOACTCZQQIT-FQEVSTJZSA-N 442.588 6.003 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)Cc1ccc(C)cc1 2330640219 ZKBQQNDMGKEJRF-UHFFFAOYSA-N 445.471 5.346 30 10 IKEE O=C(CCCOc1ccccc1)Oc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1 2330651674 HTKJWSKDIHDCSM-UHFFFAOYSA-N 436.507 6.501 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1 2330805338 VCMUCVLBMLLGOO-UHFFFAOYSA-N 425.311 6.428 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3cccs3)c(OC)c2)cc1C 2330854722 NJKSRPNNGOCFHP-UHFFFAOYSA-N 442.920 5.842 30 10 IKEE Oc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CCCC2)c(O)c1 2331077639 OLZNAMSBVZXLOV-UHFFFAOYSA-N 428.945 5.175 30 10 IKEE FC(F)(F)c1ccc(C=Nn2c(SCCc3ccccc3)nnc2C(F)(F)F)cc1 2331142334 UCSCDKBSQUMBSE-UHFFFAOYSA-N 444.404 5.533 30 10 IKEE CCCOc1ccc(C=Nn2c(SCCc3ccccc3)nnc2C(F)(F)F)cc1 2331142452 RYEDMIXEIKIRIQ-UHFFFAOYSA-N 434.487 5.303 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc(Cl)c2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 2331149801 VYIIMBAZZOIDAR-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C(F)(F)F)c1 2331150524 PXHRETZXRKJBBV-UHFFFAOYSA-N 440.878 5.524 30 10 IKEE COCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(C(C)(C)C)cc1 2331246341 DFNAASMJCPIVDG-UHFFFAOYSA-N 426.561 5.078 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)Cc1cc(C)ccc1C 2331329846 NCGNFOHUZHGEQP-UHFFFAOYSA-N 428.528 5.973 30 10 IKEE Cc1ccccc1CSc1nnc(C(C)(C)C)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2331366492 ZPWICJGYTTXECH-UHFFFAOYSA-N 443.960 5.620 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 2331529217 PSCALLNOMSBBMD-UHFFFAOYSA-N 449.434 5.177 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc1OCC 2331580704 ZVNACJWPKNVTHB-UHFFFAOYSA-N 438.564 6.517 30 10 IKEE C=CCC(CC=C)[C@H](NCCC)c1ccc(Br)cc1I 2364084342 SVKLRNLXDFODDQ-KRWDZBQOSA-N 448.186 5.863 30 10 IKEE Cn1/c(=N/N=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)sc2ccccc21 12571097 NEZWYJVHPSJTLQ-GGTCRGSLSA-N 449.539 5.774 30 10 IKEE N#Cc1ccc(/C=N/c2ccc3cc4ccc(/N=C/c5ccc(C#N)cc5)cc4nc3c2)cc1 12576378 NTTYZKOXKJAEGA-XYHIKERESA-N 435.490 6.633 30 10 IKEE N#Cc1ccc(OCCSc2nnc(Cc3cccs3)n2CCc2ccccc2)cc1 12744230 RJTQIDQNLHTHQC-UHFFFAOYSA-N 446.601 5.216 30 10 IKEE COc1ccc(/C=N/c2nc3ccccc3n2CCN2CCCC2)c2c(OC)cccc12 15773644 LLLIJTYYAXBFRL-OVVQPSECSA-N 428.536 5.053 30 10 IKEE CC(C)CN(CC(C)C)C[C@@H](O)Cn1cc(/C=C/C(=O)c2cccs2)c2ccccc21 20439392 QTMRIMFELBWHMJ-VDZCTEQFSA-N 438.637 5.574 30 10 IKEE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)Nc1ccc([C@H](C)CC)cc1 20573304 DUJWDCQLBBQEQU-LJQANCHMSA-N 434.609 5.494 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)CCSc2n[nH]c(N/N=C/C=C/c3ccccc3)n2)cc1 20834066 CJZNKPPDMIVHKI-XFMZTZMNSA-N 448.596 5.550 30 10 IKEE CN(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2Cl)cc1 21232012 GTUNUNQAFQMPIE-MYUZEXMDSA-N 443.978 6.386 30 10 IKEE CCOC1=C/C(=C2\C=C(Nc3ccc(C)cc3)c3c(C)oc(C)c3C(OCC)=C2)C=CC1=O 34240591 NNOCUTKVNUYYES-QZQOTICOSA-N 443.543 6.405 30 10 IKEE CCOc1ccc(/C=C2\S/C(=N/c3ccccn3)N(c3ccccc3)C2=O)cc1OC 39862612 SZBPCTDJZWROBU-UDYMOMHISA-N 431.517 5.298 30 10 IKEE Cc1c(/N=N/c2cc(Cl)ccc2Cl)c(O)n([C@@H](C)c2ccccc2)c(=O)c1C#N 39870569 CFCBDGVLDWNJMA-UYKKPGFNSA-N 427.291 6.066 30 10 IKEE C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCC)c1 40079448 BTBPEXQMOSCTNR-DEOSSOPVSA-N 449.547 5.417 30 10 IKEE Cc1nc(N/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)sc1C 59386978 HYRFHDHCWMMTLD-SRZZPIQSSA-N 430.327 5.188 30 10 IKEE C=CCn1c(SCCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccc(Cl)cc1 59794964 ZKSOVQJWVGYNRG-UHFFFAOYSA-N 433.364 5.559 30 10 IKEE CCCCCCCCCCn1c(CCNC(=O)CCc2ccccc2)nc2ccccc21 102141660 QTAGBWKQYDFDBS-UHFFFAOYSA-N 433.640 6.469 30 10 IKEE CCCCCCCCCCn1c([C@H]2CC(=O)N(c3c(C)cccc3C)C2)nc2ccccc21 102201470 DKSIEMHBGRZDQB-DEOSSOPVSA-N 445.651 7.314 30 10 IKEE CC(C)(C)NC(=O)c1ccc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 109202895 AZWGXWNCJDMPPM-UHFFFAOYSA-N 443.522 5.068 30 10 IKEE CCCCCCCCCCCCCC1=C([C@@H](O)[C@H](CO)NC(=O)CCCCCCC)C1 137962173 WHXCOSOMEQMKRN-AHKZPQOWSA-N 437.709 6.586 30 10 IKEE CC1(C)O[C@@H]2C(=O)C=C(COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H]2O1 149645185 ZOTQCHXKLQHNIE-CLJLJLNGSA-N 426.512 5.024 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccc(C)cc2C)c1 169935494 QHBNQLZQNRKXMN-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE Cc1ccc(COc2ccccc2/C=N\Nc2nc(-c3c(C)cc(C)cc3C)cs2)cc1 169941076 MTEJYEDQOVJIOQ-MBTHVWNTSA-N 441.600 7.069 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2cccc(C)c2)c1 169966511 SHZDQCUUKMCXCQ-DEOSSOPVSA-N 445.490 5.624 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccc(F)c(F)c2)c1 169968610 GMDDEGURKROWSW-IBGZPJMESA-N 440.471 5.129 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2OC)[C@H]1c1cccc(OC(C)C)c1 169980884 CITUDXXBARDIHJ-HSZRJFAPSA-N 437.536 5.251 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2cccs2)c1 169988128 IFGYLIYWKMWLRC-HXUWFJFHSA-N 441.455 5.208 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccc(C)cc2)c1 170036781 YOTILKLDZBGFJP-VWLOTQADSA-N 441.527 5.793 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2Cc2ccco2)cc1 170066986 JEGTXHXKNDJMES-DEOSSOPVSA-N 440.499 5.663 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2c[nH]c3ccccc23)c1 170074397 HFBMZJZSDBRWPS-VWLOTQADSA-N 448.478 6.005 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@H]1c1ccc(OC)cc1 170116837 XUVHEZGJOJMDCP-HSZRJFAPSA-N 437.536 5.089 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@H]1c1cccc(OC)c1 170121057 YQMDCTOACXPERS-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(C)c2)c(OCC)c1 170148512 CUJMUOQFXHCCNI-XMMPIXPASA-N 449.547 5.313 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1cccc(OC(C)C)c1 170152961 XSSRZTRAVCMVDB-QHCPKHFHSA-N 432.520 5.334 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccnc2)cc1C 170184985 JZKAAYGHOYOWEL-HSZRJFAPSA-N 446.478 5.101 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@@H]1c1cccnc1 170187260 PWWNSRRMRLDPPN-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@H]1c1ccncc1 170200321 QPAKNOPVVBSMBX-QHCPKHFHSA-N 442.515 5.107 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccncc2)c1 170200646 NJOPJRCQQMXKOH-QFIPXVFZSA-N 448.906 5.225 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2CCC)cc1 170216246 HERNRPXNXJIPEI-JOCHJYFZSA-N 441.499 5.002 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccccc2)c1 170228018 DWHCYUDVFINMNY-RUZDIDTESA-N 441.527 5.875 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@@H]1c1ccc(C(C)C)cc1 170245970 HPBLLXYPDAVIME-VWLOTQADSA-N 449.591 6.286 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1c[nH]c2ccccc12 170256214 YRXIRTZCNBBUOW-UPCLLVRISA-N 444.531 5.260 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccc(O)c2)c1 170258047 NKAKPLXFBRWOHG-HSZRJFAPSA-N 447.462 5.103 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@H]1c1ccc(CC)cc1 170267593 SAIUPNOCCNRRTG-XMMPIXPASA-N 449.591 5.934 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccccc1C 170273768 ZADVVWBEWQUIPT-GBXCKJPGSA-N 447.575 5.358 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccco2)cc1 170285281 RZLMKUAMRAXDBV-JOCHJYFZSA-N 429.428 5.207 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@H]1c1ccco1)c1cccc(Cl)c1 170287259 SNXKTPALBVHINF-QFIPXVFZSA-N 429.859 5.869 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccco2)c1 170289454 MVZXWYWYRVEFPE-NRFANRHFSA-N 437.879 5.341 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(CCCOC(C)C)[C@H]1c1ccco1 170295524 MQAOKOHTORNGQO-QFIPXVFZSA-N 439.552 5.279 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccc(C)o2)c1 170304402 QILBOTPBVRUJTQ-QHCPKHFHSA-N 447.487 5.172 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Br)c2)[C@@H]1c1cccs1)c1cccs1 170349112 KFLODZHQDQTEBT-MRXNPFEDSA-N 446.347 5.355 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccncc2)=C(O)C(=O)N1c1ccc(OCC(C)C)cc1 170396978 CWWIBUXXMCXMPW-XMMPIXPASA-N 442.515 5.208 30 10 IKEE CCCCCCCC[C@H](C)OC(=O)c1ccccc1C(=O)O[C@H](C)CCCCCCCC 196395865 CZTAPVBKUXXDLY-PSWAGMNNSA-N 446.672 8.278 30 10 IKEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)/C=C\c2ccccc2)[C@H]1c1ccc(C(C)C)cc1 209980379 UDAYPOJMEPTXJK-JFPYEHPBSA-N 446.591 5.130 30 10 IKEE C=CCOc1ccc(/C=C2/SC(=Nc3ccc(OCC)cc3)N(CC)C2=O)cc1Cl 252620338 MCCPLJFOMYLEGK-PYYWQZPNSA-N 442.968 5.927 30 10 IKEE C=CCn1c(-c2ccc(SC)cc2)c(-c2ccccc2)sc1=Nc1ccc(C)cc1 252676540 XJRXRAPMVHSRBZ-UHFFFAOYSA-N 428.626 7.332 30 10 IKEE Clc1ccc(-c2nc3ccccn3c2N=Cc2ccc(Br)cc2)c(Cl)c1 254308312 KHJGHRNLYRYWAU-UHFFFAOYSA-N 445.147 6.821 30 10 IKEE Cc1ccc2oc(-c3cccc(N=Cc4ccc(-c5ccc([N+](=O)[O-])cc5)o4)c3C)nc2c1 254569657 WCBZWWZEGWRFIG-UHFFFAOYSA-N 437.455 7.030 30 10 IKEE CSCCCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=Nc1cc(C)ccc1C 254771061 LEPXUNDDOVPBMB-HNNYNVTISA-N 441.578 5.569 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2sccc2C)cc1OC 526490687 XJWOOUHLWDUSBK-NRFANRHFSA-N 432.501 5.003 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@H]2c2cccc(C(F)(F)F)c2)c1 526520175 GMWZWANVQZKAGI-OAQYLSRUSA-N 438.380 5.773 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2ccc(Cl)cc2)[C@@H]1c1c[nH]c2ccccc12 526606925 QDOVQTYLWZUSRH-QHCPKHFHSA-N 425.875 5.750 30 10 IKEE Cc1cccc(NC2=C(Sc3ccc(Cl)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 526643928 XHNOWHVZEKUNQQ-UHFFFAOYSA-N 445.931 5.509 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1/N=C\c1c(OCC)ccc2ccccc12 526800523 RYSUTOHCUJEITE-IMRQLAEWSA-N 444.604 6.347 30 10 IKEE Oc1ccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 526802083 BCCBBVUWNHLLCH-QQXSKIMKSA-N 432.524 5.083 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1/N=C\c1cccc(OCC(C)C)c1 526802340 DNIZMICOBIULCA-QFEZKATASA-N 426.561 5.579 30 10 IKEE CCOc1ccc2ccccc2c1/C=N\n1c(C)nnc1SCc1ccccc1Cl 526815597 DSZWIRROQYKBLN-QFEZKATASA-N 436.968 5.966 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1cccc(O)c1Cl 698455747 LOCKCCQUTIUZAR-HNNXBMFYSA-N 437.721 5.814 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@H](C)CN(C(=O)OC(C)(C)C)C1 698485441 QZFDBFVIWDBAJL-XDHUDOTRSA-N 429.561 5.276 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@@](C)(C#N)Cc1ccc(Br)cc1 698850924 LZWYOSPVTGDWFH-OAQYLSRUSA-N 449.776 6.369 30 10 IKEE C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(F)cc2F)[n+]2ccc(CCC)cc2)c1 726572395 BTKIZPXPQKGBFK-UHFFFAOYSA-O 435.519 5.509 30 10 IKEE N#Cc1ccc(-c2cccc(CNC(=O)c3cc4c(C(F)(F)F)cc(O)nc4o3)c2)s1 739749130 FYXBNOIHQOQHFO-UHFFFAOYSA-N 443.406 5.082 30 10 IKEE Cn1cc(OCc2ccccc2)c(=O)cc1CO/N=C(/c1ccc2c(c1)CCCC2)C1CC1 821228920 DARRQEBURRKCFW-ZQHSETAFSA-N 442.559 5.174 30 10 IKEE C[C@@H]1CCCC[C@H]1N/C(=N/CCCN1CCCC1=O)Nc1cc(-c2ccccc2)ccc1O 1088709953 IBEVINIVDUIWAH-NFBKMPQASA-N 448.611 5.008 30 10 IKEE Cc1cccc(-n2cc(/C=N\NC(=S)Nc3cccc(F)c3)c(-c3ccc(F)cc3)n2)c1 1857809102 LGVLPSXTBPZEJA-VYYCAZPPSA-N 447.514 5.446 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc3c(OC(=O)N4CCc5ccccc5C4)cccc23)c1 1858954043 FBQIMIXHBUIDKM-UHFFFAOYSA-N 447.494 5.521 30 10 IKEE CCCCCCCCCNC(=O)COc1ccc2cc(-c3ccc(F)cc3)c(=O)oc2c1 1860255630 YHQCBBJLUZSHIZ-UHFFFAOYSA-N 439.527 5.845 30 10 IKEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)c1ccc2nc(C)c(C)nc2c1 1861394741 JSPHSBXVDBQIDU-UHFFFAOYSA-N 426.605 5.012 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 1861825308 AQXUZFKXLHCBTQ-QFIPXVFZSA-N 439.984 5.404 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(C)cc1 1862380267 YLVMEGNDLMMAHH-NRFANRHFSA-N 446.374 6.460 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc(N(C)C)cc2)cc1 1862393943 AMZFGXYJCKNOBR-RUZDIDTESA-N 448.607 5.720 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2cccc3ccccc23)cc1 1862397754 RWVPQQNNYFHSBC-VWLOTQADSA-N 443.543 5.143 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@@H]2c2ccccc2)cc1 1862429703 SUNBGXNVSPTVJR-XDHUDOTRSA-N 445.946 6.242 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCc2ccccc2)cc1 1862432040 VCNIGOUVRNLBGH-HSZRJFAPSA-N 447.918 5.170 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc(OCC)c1 1862433614 GPYYAPFTDVESTH-NRFANRHFSA-N 427.928 5.507 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@@H]2c2ccccc2C)c1 1862490479 WLCVGJRBFJVJKX-XMMPIXPASA-N 445.946 6.044 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)c1 1862494254 JFJOTYOLTXBUCK-DEOSSOPVSA-N 433.592 6.225 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1cccc(F)c1 1862517345 LEXSSFVKOZZVFX-QHCPKHFHSA-N 439.527 5.773 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)cc3)=C(O)C(=O)N2C2CC2)cc1 1862521726 ORZRPNUPFNPTBQ-DEOSSOPVSA-N 449.547 5.395 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2cccc(OC)c2)cc1 1862530862 ZPPSHIAWLBFXSC-DEOSSOPVSA-N 427.500 5.036 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccc(F)c1)c1ccc2c(c1)CCCC2 1862544615 HPLNBTTUHLDMGG-QHCPKHFHSA-N 431.463 5.076 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1c(F)cccc1Cl)c1cccc(O)c1 1862592338 ASPHVUFMRIGWDZ-NRFANRHFSA-N 443.902 5.486 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@H]2c2ccccc2)cc1 1862661967 YJSSGTDJFWRYAX-VWLOTQADSA-N 441.527 5.467 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(Cl)cc1Cl 1862668056 POQXKLPYQKOEMX-LHSJRXKWSA-N 446.374 6.494 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1 1862717725 KYZVWPDVCPLEHE-QHCPKHFHSA-N 442.471 5.269 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cccc(F)c1 1862735265 GSVGZYBOIVIAFJ-QRQCRPRQSA-N 446.434 5.073 30 10 IKEE CCc1ccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862805304 RWDNJSVACHGXDM-UHFFFAOYSA-N 427.891 5.171 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc4ccccc4c3)C2=O)cc1C 1862874531 MVXLIAFDQMZGEB-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Oc3ccccc3)cc2)=C(c2ccc(OCC)cc2)C1=O 1863208792 BESLBCCLRZBOSC-UHFFFAOYSA-N 440.499 5.256 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H](C)c2ccccc2)=C(c2ccc(Cl)cc2)C1=O 1863535807 VKEUYAWQHKMCKY-IBGZPJMESA-N 438.999 6.131 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccccc2)=C(c2ccc(F)cc2F)C1=O 1863661914 YUCPXVCHHNRQEB-UHFFFAOYSA-N 426.507 5.195 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccco2)=C(c2ccccc2OC)C1=O 1863766355 KULAWDMOBRUSER-UHFFFAOYSA-N 438.568 5.299 30 10 IKEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CC)[C@H]1c1ccccc1Cl 1864214837 LQILALVXMZGOMX-HXUWFJFHSA-N 445.007 5.036 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1 1866029837 KUOGCWVZJGTNAY-UHFFFAOYSA-N 447.616 7.283 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)C[C@@H](C)C(=O)c2cccc(F)c2)c1 1866036740 NJZNUFARJVEQRV-QGZVFWFLSA-N 428.463 5.084 30 10 IKEE N#Cc1c(NC(=O)CCN(Cc2ccccc2)Cc2ccccc2)sc2c1CCCC2 1866049348 SHBXODSTRLDXRM-UHFFFAOYSA-N 429.589 5.530 30 10 IKEE CC(C)c1nc(Nc2cccc(C#N)c2)cc(N2CCO[C@@H](c3cccc(Cl)c3)C2)n1 1868221565 QZHJVEIKMYKEFM-OAQYLSRUSA-N 433.943 5.447 30 10 IKEE CCc1nc(Nc2ccccc2C#N)cc(N2CCC[C@@H]2c2nc3ccccc3s2)n1 1868286430 IBGIKWWCTQOJTC-LJQANCHMSA-N 426.549 5.605 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC(Oc3ccc(Cl)cc3)CC2)nc(C(C)(C)C)n1 1869184494 VWPTYAUDBLIOPK-UHFFFAOYSA-N 441.019 5.654 30 10 IKEE CC(C)c1cc(C(C)C)cc(-n2nnc(C#N)c2NC(=O)CC23CC4CC(CC(C4)C2)C3)c1 1870140461 SGBARIDRDFGSED-UHFFFAOYSA-N 445.611 5.931 30 10 IKEE Cc1cccc(OCCCC(=O)Nc2c(C#N)nnn2-c2cc(C(C)C)cc(C(C)C)c2)c1 1870152184 FJUCCLPCZBKJFC-UHFFFAOYSA-N 445.567 5.492 30 10 IKEE CCCCCCCCCCN=c1nc2c(cnn2C)c(Nc2ccc(F)c(Cl)c2)[nH]1 1871298606 CRSCRSCHGKLLDL-UHFFFAOYSA-N 432.975 5.874 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871389654 IGGGLTIAXOVFKH-UCQKPKSFSA-N 432.859 5.740 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3cc(-c4ccc(Cl)cc4)c(=O)oc3c2)cc1 1871389962 WWPJXDZBGAVEON-UHFFFAOYSA-N 432.859 5.897 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OCCCCOc4cccc(C)c4)c3C)C2=O)c1 1871403688 UXNGWHKICPGQNV-ITYLOYPMSA-N 428.528 6.466 30 10 IKEE C=CCN=c1nc(Nc2ccc(Oc3ccccc3)cc2)[nH]c(N(CCCC)CCCC)n1 1871508760 LLQBFXRNYMPVDM-UHFFFAOYSA-N 446.599 5.834 30 10 IKEE C=CCN=c1nc(Nc2ccc(OCCCCCC)cc2)[nH]c(N(CCC)CCC)n1 1871610856 VNAPHVUUIPLQFM-UHFFFAOYSA-N 426.609 5.221 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(C)cc1)[C@@H](C)CC)S(=O)(=O)c1c(C)cc(C)cc1C 1871775677 GBHPHRXRIWODGW-CVDCTZTESA-N 442.625 5.150 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(C)cc1C)C(C)C)S(=O)(=O)c1c(C)cc(C)cc1C 1872519882 LXXYJAAUTUCFTQ-QHCPKHFHSA-N 442.625 5.069 30 10 IKEE CCCCCCCCCOc1ccc(-c2nc3ccc(C(=O)NC4CC4)cc3[nH]2)cc1OC 1872730023 GXRHDEHFSNKMII-UHFFFAOYSA-N 449.595 6.260 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3cc(Cl)ccc3Cl)n2)cc1 1872761992 ASYGJVZPADFACT-IBGZPJMESA-N 443.399 6.878 30 10 IKEE N#C[C@@H](C(=O)/C=C/c1ccccc1Cl)c1nc(-c2ccc(Br)cc2)cs1 1872765715 VNPYWSSROAPWHZ-JCVNQNCUSA-N 443.753 6.116 30 10 IKEE CC(C)c1ccc(O[C@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(F)cc3F)cs2)cc1 1872766019 BBHATGBMRFWFHU-KUHUBIRLSA-N 426.488 5.855 30 10 IKEE Cc1nc(SCc2cccc(C(=O)Nc3ccc(F)cc3Cl)c2)c(C#N)c(C)c1C 1872893144 JOXVZSDMNFWKPU-UHFFFAOYSA-N 439.943 6.216 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)c(F)c2F)=C(c2ccccc2)C1=O 1873414170 WAUIIIGGPWPJOU-UHFFFAOYSA-N 430.470 5.656 30 10 IKEE C=CCOc1ccccc1OCc1nc2ccccc2n1CC(=O)Nc1cccc(C)c1C 1873519456 KJFMYJWYOHRJAE-UHFFFAOYSA-N 441.531 5.436 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(CC)cc2)cc2c(NCCC3=CCCCC3)ncnc21 1873638901 BCGYSIVOLSBEDU-UHFFFAOYSA-N 429.568 5.734 30 10 IKEE CCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1/N=C/c1ccc(F)cc1 1874194260 GHKAVXOBAAEQLQ-AFUMVMLFSA-N 442.560 5.297 30 10 IKEE C=CCSc1nnc(COc2c(C)cccc2C)n1/N=C/c1c(Cl)cccc1Cl 1874300183 JVJFAVAZCRCCLC-WYMPLXKRSA-N 447.391 5.941 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2C)cc1 1874303783 RFCLBUFYBVDVCU-OVVQPSECSA-N 442.588 5.751 30 10 IKEE C=CCSc1nnc(CCc2cccc(OC)c2)n1/N=C/c1cccc2ccccc12 1874310919 UPJONFBSEJWBND-NLRVBDNBSA-N 428.561 5.385 30 10 IKEE C=CCSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1ccc(OCCCC)cc1 1874359457 IEWOQWKFFPZGQC-NLRVBDNBSA-N 434.609 5.825 30 10 IKEE Cc1ccc(/C=N/n2c(Cc3ccc(C)cc3)nnc2SCc2cccc(C)c2)cc1 1874388250 CMJOHZQXZLRRQE-WPWMEQJKSA-N 426.589 5.969 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCCc2ccccc2)n1/N=C/c1ccc(Cl)cc1 1874399698 CKJBABPICXXOAM-RTMGKINMSA-N 447.007 6.300 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3cccs3)n2/N=C/c2ccc(F)cc2)c1 1874412400 MNUFDOOOXIKUFI-AFUMVMLFSA-N 436.581 5.861 30 10 IKEE Oc1ccc(Cl)cc1/C=N/n1c(SCCc2ccccc2)nnc1-c1ccccc1 1874428630 SFVBKKIRDIOCOD-PCLIKHOPSA-N 434.952 5.521 30 10 IKEE Clc1ccccc1/C=N/n1c(SCc2ccccc2Cl)nnc1[C@H]1CCCO1 1874445913 OCXYUCGORICALC-BYWZACNXSA-N 433.364 5.611 30 10 IKEE Fc1cccc(Cl)c1/C=N/n1c(SCCc2ccccc2)nnc1[C@H]1CCCO1 1874448389 AMWLWGUTUPEMNH-ANRKENSESA-N 430.936 5.139 30 10 IKEE CCCCCCOc1ccc(/C=N/n2c(SCCC)nnc2[C@@H]2CCCO2)cc1OC 1874449242 XHABOGMSXWNUCB-MHIQDMOBSA-N 446.617 5.482 30 10 IKEE COC(=O)c1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2C2CCCC2)cc1 1874454204 FVHCTSDRSFCIFQ-AFUMVMLFSA-N 438.528 5.036 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccco2)cc1 1874466752 ZOALKMRABOYIHV-NLRVBDNBSA-N 446.576 6.282 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(OCC)c(OC)c1 1874478133 PVSPVLXHYPEJQJ-MFKUBSTISA-N 442.560 5.342 30 10 IKEE COc1cccc(/C=N/n2c(CC(C)C)nnc2SCc2cccc(Cl)c2)c1O 1874491179 CXDHJHADTLICLH-FSJBWODESA-N 430.961 5.019 30 10 IKEE CCOc1ccc(Br)cc1/C=C/C(=O)c1cc(Cl)c(OC)c(Cl)c1 1874590418 KNBRFCZLDIJBMD-GQCTYLIASA-N 430.125 6.059 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(OC)c1OCc1ccc(Cl)cc1 1874605434 ZISUBKWXUIQVOL-LFIBNONCSA-N 446.974 7.115 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OCC(=O)Nc1ccc(C)cc1 1874608226 CADLSYHSSUZQBD-GXDHUFHOSA-N 449.934 5.961 30 10 IKEE Cc1ccccc1COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 1874615526 CGJUARAYHGVUAU-UXBLZVDNSA-N 442.298 6.685 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(F)c(C)c3)cc2OC)o1 1874620130 KOWHIURSLVLPKR-BJMVGYQFSA-N 438.451 5.388 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1Cl 1874631181 OMLNYQNNDJHPCB-DHZHZOJOSA-N 443.326 6.486 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc(N(C)C)cc3)c2)c1C 1874710825 KPSPOUINYKEJIJ-XNTDXEJSSA-N 427.544 6.102 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)cc1OC(=O)C(F)(F)F 1874712346 UCGFUDMBNYSRQH-HWKANZROSA-N 449.208 5.374 30 10 IKEE COc1cccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3cc(C)cc(C)c3OC)c2)c1 1874713448 WTDFSLLSAKUPBK-ACCUITESSA-N 444.527 5.755 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc3ccccc3c2)CSc2nnc(C3CC3)n21 1874848431 JVCHKBDRUOOXKW-HSZRJFAPSA-N 448.636 6.371 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)cc2)c1 1875102943 SYMJNQKVSGPMFR-HBSUSQTFSA-N 432.903 5.954 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1OCC 1875122763 TYEWVAFSXSFTHM-RVDMUPIBSA-N 444.518 6.916 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OC(=O)C(F)(F)F 1875168570 JYUAEBZUXYJULL-BQYQJAHWSA-N 436.426 5.301 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 1875179142 VKOVAFHSODLHNV-DHZHZOJOSA-N 431.444 5.336 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](C)c1ccc(NC(=O)OC(C)(C)C)cc1 1922081482 XUANOXLLUDZVSU-BWKNWUBXSA-N 438.612 6.278 30 10 IKEE C#CCCCCC[C@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 1947474585 JMSKEYWWBMQJDJ-RPWUZVMVSA-N 430.633 5.439 30 10 IKEE CCCCCCCCC[C@@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NC 1947479257 KNIIVZLZJGWFBD-ZEQRLZLVSA-N 434.665 6.215 30 10 IKEE C[C@@H](N(Cc1ccccc1)C(=O)OC(C)(C)C)C(C)(C)Oc1cc(C#N)cc(Cl)n1 1986485275 YBSHTDVVWLWPRB-MRXNPFEDSA-N 429.948 5.590 30 10 IKEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 1999945237 SAYRABQCOAWUAN-QMHKHESXSA-N 433.524 5.106 30 10 IKEE CCCCCC#CC[C@@H](NCCC)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2024367019 DUXRNMOBEKCTHL-DNQXCXABSA-N 430.633 5.439 30 10 IKEE Cc1c(Cl)cc(CC(=O)C2=CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1Br 2048645706 NQQNVJHFCCUADG-CQSZACIVSA-N 428.754 5.136 30 10 IKEE C=CC1(C[C@H](CC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)NC)CCC1 2049032400 IWBGUERGIQBEDW-HSZRJFAPSA-N 441.660 5.270 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)c(Cl)c1F 2063092639 NQHCZJWSNPGFNT-CJNGLKHVSA-N 435.765 5.362 30 10 IKEE CC[C@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)(F)F)c(CN)c1Br 2079855205 MQEDLIURXBCDDX-LLVKDONJSA-N 448.180 5.280 30 10 IKEE N#Cc1ccc(Br)cc1OCc1c(Br)cccc1Br 2094101899 IXMISGFIWWTBSV-UHFFFAOYSA-N 445.936 5.425 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@](C)(C#N)C(F)(F)C(F)(F)F 2126066900 AWCWULZDFNGMOX-CQSZACIVSA-N 443.210 5.670 30 10 IKEE CC1(C)OB(c2ccc(OCCN(Cc3ccccc3)CC3CCCCC3)cc2)OC1(C)C 2152159967 SLXAQPDPYDYQBF-UHFFFAOYSA-N 449.444 5.447 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@H]2Nc1cccc(Br)c1C#N 2162412278 CJOMOZCDXINHPD-IBGZPJMESA-N 428.330 5.767 30 10 IKEE C=CCCCCCCC[C@@H](NC)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2214624611 UVACHSMHFVXVET-DNQXCXABSA-N 431.665 5.516 30 10 IKEE CN(C(=O)OC(C)(C)C)C1(C[C@H](O)C#Cc2ccccc2Br)CCCCC1 2235740402 OJPWBLUUQSXKFL-GOSISDBHSA-N 436.390 5.121 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)C[C@@H](CCC)NC(=O)OC(C)(C)C 2235746321 JFLOVWSFWJLKGE-RTBURBONSA-N 437.422 5.252 30 10 IKEE CN[C@H](C#Cc1ccc(C)cc1)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2239637666 GDGLHVIDCHIUCX-HXUWFJFHSA-N 429.358 5.417 30 10 IKEE CCCN[C@H](CC#CC1CCCC1)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2251480574 FXXDFHUQPZIAAI-RPWUZVMVSA-N 428.617 5.048 30 10 IKEE C=C(C)CC[C@@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2262802749 IJFPJGGAOHHFGZ-AREMUKBSSA-N 431.576 6.217 30 10 IKEE CC(C)c1cc(Br)cc([C@@H](C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)c1 2280732636 WMKKCNOQPMVBJO-QGZVFWFLSA-N 436.354 6.075 30 10 IKEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C=Cc3c(F)cccc3Cl)c2C#N)C1 2295399949 PDUHGYQQRGTWGW-CQSZACIVSA-N 430.976 6.605 30 10 IKEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@H](CCC(C)C)NC(=O)OC(C)(C)C 2296219215 LZNHGCBFRAGYPJ-VQTJNVASSA-N 437.422 5.108 30 10 IKEE CCC[C@]1([C@@H](N)C#Cc2ccc(Br)cc2)CCCCN1C(=O)OC(C)(C)C 2296310747 NGRZVFYDJFNTAF-SIKLNZKXSA-N 435.406 5.088 30 10 IKEE CC(C)Oc1ccc(C(O)=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2cccc(Cl)c2)cc1 2296775489 UJHPSZJFOCZCPG-QFIPXVFZSA-N 448.906 5.149 30 10 IKEE CCCCCCCN=C(CC)c1c(C(F)(F)F)nn(-c2nc3ccccc3s2)c1O 2297747640 MGEZIJXPNADMCO-UHFFFAOYSA-N 438.519 6.376 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@H]2CC[C@H]1C[C@@]2(C)NC(=O)OC(C)(C)C 2307593644 TVFNFGYZUMYFDJ-LPQSXTOPSA-N 435.609 5.245 30 10 IKEE Cc1ccccc1COc1ccc(C=Nn2c(S)nnc2Cc2ccc(Cl)cc2)cc1 2322035112 ZMWAYWBZKFVQDI-UHFFFAOYSA-N 448.979 5.581 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1cccc([N+](=O)[O-])c1)C3=O)CN([C@@H](C)c1ccccc1)CO2 2322371247 HVSKCPFUJSUVQF-KRWDZBQOSA-N 442.471 5.433 30 10 IKEE CCOc1ccc(C(=O)C=Cc2c(OCc3cc(C)ccc3C)ccc3ccccc23)cc1 2322549687 BCJXULJOWPJXTA-UHFFFAOYSA-N 436.551 7.330 30 10 IKEE CCc1ccccc1NC(=O)COc1c(C=CC(=O)c2ccc(F)c(C)c2)cccc1OC 2322638347 WWSJHENWUOWTHR-UHFFFAOYSA-N 447.506 5.619 30 10 IKEE Cc1c(OC(=O)c2cc3ccccc3o2)ccc2c1OC(=Cc1ccc(Cl)cc1)C2=O 2322842774 ICEKTKXMZCBOQW-UHFFFAOYSA-N 430.843 6.230 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1OCc1ccc(F)cc1 2323303115 KAYGIHGOHNEPEW-UHFFFAOYSA-N 432.535 6.915 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)COc4ccc(Cl)cc4)cc(C)c3C2=O)c1 2323536188 VDQKSASFKGPEAD-UHFFFAOYSA-N 434.875 5.557 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cccc(C)c3C)c(Cl)c2)cc1 2323900586 ISOQFGUXPFBCCN-UHFFFAOYSA-N 433.935 6.179 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)c1 2324014952 UVTXRPJQTYHYSG-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3F)cc2)c(C)c1C 2324295036 PSRYNYQXMISIHF-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccc(OCc2cccc(C)c2)cc1 2324324688 KPAWOEBCISEZCM-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)cc1 2324379209 LDUQGOIQZHPPKS-QGZVFWFLSA-N 431.463 5.465 30 10 IKEE COc1ccc(OCCCOc2cc(C)c3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1 2324705780 OQNIRLNUDOIHLY-UHFFFAOYSA-N 434.463 5.607 30 10 IKEE CCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(N(CC)CC)cc1 2325610466 PGSLCKQIZJNBQI-UHFFFAOYSA-N 428.005 5.515 30 10 IKEE O=C(Cc1ccc(Cl)cc1)Oc1cccc(C=CC(=O)c2ccc3c(c2)CCCC3)c1 2325701584 WMWBECNSGCZSBF-UHFFFAOYSA-N 430.931 6.263 30 10 IKEE O=C(COCc1ccccc1)Oc1cccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)c1 2325737492 RGPXMCCDRLNFSJ-UHFFFAOYSA-N 441.310 6.012 30 10 IKEE CCc1ccccc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1sccc1C)C2=O 2325737770 YBAMCGDFDREAIT-UHFFFAOYSA-N 433.529 5.561 30 10 IKEE Cc1cc(OCC(=O)Nc2ccccc2)cc2c1C(=O)C(=Cc1c(F)cccc1Cl)O2 2325740233 RBGFTMZEVOYVJL-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE O=C(Cc1ccccc1Cl)Oc1cccc(C=CC(=O)c2cc(Cl)ccc2Cl)c1 2325773602 PCEQJLORXDGYIX-UHFFFAOYSA-N 445.729 6.691 30 10 IKEE C=CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1ccc(O)cc1 2325905666 VUPYWLNKZJRWQD-UHFFFAOYSA-N 436.581 5.329 30 10 IKEE CC(C)Oc1c(Cl)cc(C=Nn2cnnc2SCc2ccc(F)cc2)cc1Cl 2326236424 BLZAJLNNMANQTQ-UHFFFAOYSA-N 439.343 5.686 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cccc(Br)c1 2326360205 CIQHFRVITLCVQW-UHFFFAOYSA-N 449.805 5.821 30 10 IKEE CCCSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1ccc(CC)cc1 2326398960 RVYNOCLSGFVDSL-UHFFFAOYSA-N 436.625 5.853 30 10 IKEE CCSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1ccc(C(F)(F)F)cc1 2327174750 BKPWQYBKBCGHJK-UHFFFAOYSA-N 448.514 5.611 30 10 IKEE Cc1cccc(OCc2nnc(SCCc3ccccc3)n2N=Cc2cccs2)c1C 2328849873 RZOJPQIBPXGWDE-UHFFFAOYSA-N 448.617 5.752 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccc(C)c(C)c3)n2N=Cc2cccn2C)cc1 2328922172 YVFDZOHLGPPZDD-UHFFFAOYSA-N 443.620 5.502 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3)n2N=Cc2ccccc2C)cc1C 2328945647 NXOHECYVWWUDAI-UHFFFAOYSA-N 440.616 6.163 30 10 IKEE C=CCSc1nnc(Cc2ccc(F)cc2)n1N=Cc1cc(Br)ccc1F 2329851388 CAORAXYBFAPMTF-UHFFFAOYSA-N 449.324 5.070 30 10 IKEE Cc1ccc(CSc2nnc([C@@H](C)c3ccccc3)n2N=Cc2cccc(Cl)c2)cc1 2330052607 SJXUQFLGBXMNQT-IBGZPJMESA-N 447.007 6.566 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@H](C)c3ccccc3)n2N=Cc2ccccc2F)c1 2330110392 JTKOFPCBAFFTKA-HXUWFJFHSA-N 444.579 6.360 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3ccc(C)cc3)c(OC)c2)c1 2330777846 WOWXZASKFZVNQA-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE CCCOc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccccc2C)cc1 2330808720 YAXIPVWVISNRSU-UHFFFAOYSA-N 436.625 6.138 30 10 IKEE Cc1ccc(CSc2nnc(C3CCCC3)n2N=Cc2ccc(C(C)(C)C)cc2)cc1 2331018415 OTUORXOYBRIAIL-UHFFFAOYSA-N 432.637 6.716 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(OC)c(OC(=O)[C@@H](C)c2ccccc2)c(OC)c1 2331056979 FPIYKGVMGMGZHS-SFHVURJKSA-N 446.499 5.318 30 10 IKEE Cc1ccsc1C(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 2331149659 ROLGCWSGFXSTFJ-UHFFFAOYSA-N 427.865 5.733 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)Cc1ccccc1 2331216437 RHQPOYXKRSNLRN-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccco3)n2N=Cc2c[nH]c3ccccc23)cc1 2331222554 XFPMNHFYCGNDFK-UHFFFAOYSA-N 433.924 5.847 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1cccc2ccccc12 2331349218 AQOIQUGYYYISPW-UHFFFAOYSA-N 434.996 6.602 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3F)c(OC)c2)cc1F 2331467451 SRADGLYIMUHGIQ-UHFFFAOYSA-N 438.426 5.026 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OC(=O)CCOC 2331550320 JMMAEOGGHAFPOQ-UHFFFAOYSA-N 440.536 5.229 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(Cl)cc2)c(Cl)c1)c1ccc(F)c(F)c1 2331556964 GRHVUYVHKHJZPC-UHFFFAOYSA-N 433.237 6.387 30 10 IKEE CCCc1nnc(SCC)n1N=Cc1ccc(OCCCc2ccccc2)c(OC)c1 2331645460 BSOYSGWWNZJTGQ-UHFFFAOYSA-N 438.597 5.245 30 10 IKEE C=CCSc1nnc(CCC)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2331657504 REPMECDUYWXCKB-UHFFFAOYSA-N 426.973 5.623 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)c(OC)cc2C)ccc1OC(=O)c1ccccn1 2331852563 HMWFZVBEOKXYQM-UHFFFAOYSA-N 431.488 5.221 30 10 IKEE CC1(C)COC[C@@]1(C#N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2336106430 RWAOAYCAJZTYQA-IAPPQJPRSA-N 443.543 5.444 30 10 IKEE Cc1c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)ccc(Cl)c1Cl 2366091627 IDODUUUZTHLQRI-QGZVFWFLSA-N 425.743 6.962 30 10 IKEE C=C(C)CCCC[C@H](OCC(=O)O)c1sc(Cl)cc1I 2366682234 ZZOIVQMEZUANED-NSHDSACASA-N 428.719 5.285 30 10 IKEE C=CCn1c(SCc2cc(=O)oc3ccc4ccccc4c23)nnc1-c1ccccc1 9447599 DULIKBKUPZCBKU-UHFFFAOYSA-N 425.513 5.683 30 10 IKEE O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@H](c1ccc(Cl)cc1)n1c(nc3ccccc31)N2 19639417 IDPHRNQQUJRBPG-GKVSMKOHSA-N 443.909 6.245 30 10 IKEE CCCCSc1nc2n(n1)[C@@H](c1ccccc1OCC)C1=C(CC(C)(C)CC1=O)N2 20850772 KLJWGWQOMKMPBK-FQEVSTJZSA-N 426.586 5.227 30 10 IKEE CCCCN1C(=O)/C(=C2\Sc3ccc(Cl)cc3N2C)S/C1=N/Cc1ccccc1 33685703 MFFMEFJPFXZRQY-FZBJWRKTSA-N 444.025 5.983 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc4c3CN([C@@H](C)c3ccccc3)CO4)C2=O)cc1OC 41654148 HSARMVRBLNOIRB-MQKZQLNTSA-N 443.499 5.233 30 10 IKEE C/C(=N/Nc1nnc(SCc2c(C)cc(C)cc2C)[nH]1)c1ccc(Br)cc1 59020927 WUWGTFPTACXZMW-HAHDFKILSA-N 444.402 5.621 30 10 IKEE COc1ccc([C@H]2/C(=C(/O)c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccc(F)cc2)cc1 102490619 BRFUGELAKLJUHF-AGGMBTAESA-N 437.854 5.114 30 10 IKEE Cc1cc(O)c(C(C)C)cc1/N=C1\NC(=O)S\C1=C\c1cccc(Oc2ccccc2)c1 104801197 YNTHVZRRKRONLV-ZVHZXABRSA-N 444.556 7.144 30 10 IKEE N#CCCCOc1cccc(NC(=O)/C=C/c2ccc(OC(F)F)cc2OC(F)F)c1 108298712 ACBJQKDWZPPTAG-VQHVLOKHSA-N 438.377 5.224 30 10 IKEE Cc1n[nH]c(=S)n1/N=C\c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1 137730150 RXLZYLCUYRADAF-ONUIUJJFSA-N 436.544 5.651 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\NC(=S)NC2CCCCC2)cc1OCC 169940210 JIXKLUOUYQFEQD-QOMWVZHYSA-N 447.689 6.345 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2cc(F)ccc2F)c1 169971660 XPMIRJCCCIATRR-NRFANRHFSA-N 439.845 5.710 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(Cl)cc2)s1 170057655 NTPAKWNPAPVAHS-GOSISDBHSA-N 442.899 5.335 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1cccc(O)c1)c1cc2ccccc2o1 170081455 MKCOHXKOANKWRJ-JOCHJYFZSA-N 445.858 5.575 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(C)c2)ccc1Cl 170148419 YCCZVMUEUBWFAE-NRFANRHFSA-N 425.912 5.178 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc(OC(C)C)c1 170153620 WAEQJRPTBRBCLG-DEOSSOPVSA-N 429.516 5.615 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2cccs2)cc1 170157557 HJEAZUTYOVSBOT-OAQYLSRUSA-N 430.485 5.021 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccnc2)c1 170184765 JTAHBXMYBIDWOM-HSZRJFAPSA-N 446.478 5.038 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccnc2)cc1C(C)C 170184845 AMBSNXGJTGCTQC-HSZRJFAPSA-N 446.478 5.136 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccccc2)c1 170228180 ZPQFRFVGWSMFKK-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(F)cc2)ccc1OC(C)C 170244245 VINPEWOGPAOOFU-QHCPKHFHSA-N 437.511 5.442 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccccc2F)cc1 170249471 HQMVSEKLIYGMRI-VWLOTQADSA-N 437.470 6.070 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@H]1c1ccco1)c1cc2ccccc2o1 170287251 FQXAODSBCAJTOO-DEOSSOPVSA-N 435.435 5.962 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C(C)(C)C)cc2)cc1 170390440 IISIJHMOJLFGAK-RUZDIDTESA-N 439.555 6.329 30 10 IKEE CC(=O)c1c(C)oc(NC(=O)/C=C/c2ccc(OCc3ccccc3Cl)cc2)c1C#N 170528254 BPDOFXINZZVWCL-FMIVXFBMSA-N 434.879 5.547 30 10 IKEE Cc1cc2c(cc1C)C(=O)/C(=C\c1cn(-c3ccccc3)nc1-c1ccc3c(c1)C[C@H](C)O3)O2 214011333 JFJJWMNCMMYXAO-TUCSVVMZSA-N 448.522 6.096 30 10 IKEE CCOc1ccc(N=C2S/C(=C\c3cc(Cl)cc(Cl)c3O)C(=O)N2CC)cc1 252641562 ZEWMQOOSMCAZQP-HJTUMBPSSA-N 437.348 5.722 30 10 IKEE Cc1ccc2c(c1)c(C=N/N=c1/[nH]c3ccccc3s1)c(C)n2CCOc1ccccc1 254347320 CQFVMJFYEKIOFV-UHFFFAOYSA-N 440.572 5.815 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccc(O)c2)c1 526603778 CHTRWVJOKYAYLC-RUZDIDTESA-N 440.499 5.500 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccc(Br)cc1 526807090 HBALOYCTFWBHFG-NHDPSOOVSA-N 435.778 5.431 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1c(F)cccc1Cl 526807121 ISWIHWVPGDOBTC-MSXFZWOLSA-N 437.371 6.241 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)c1 698417798 KGEGVNPFZIXQSS-VWLOTQADSA-N 428.532 6.580 30 10 IKEE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@@H](C#N)c1ccc(Cl)c(Br)c1 698472075 PXVGKRPVFKVXJL-BBRMVZONSA-N 429.742 5.083 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1ccc(Cl)cc1F 710756936 INGCVRFXBITLSV-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCO[C@@H](C(C)(C)C)C1 721576034 OIEGMNAKBFOQGS-UTKZUKDTSA-N 437.378 5.678 30 10 IKEE Cc1nc(NN=Cc2ccc(OCc3ccccc3)cc2OCc2ccccc2)sc1C 1084316522 ZZPLFIIEGISLOA-UHFFFAOYSA-N 443.572 6.364 30 10 IKEE CCCCCCCCCCCCCCCCOc1ccc(C2=CS[C@@H](CNN)[N]2)cc1 1615950176 CABXUQIDZXFSKA-SANMLTNESA-N 446.725 6.986 30 10 IKEE N#Cc1ccc(CN(Cc2ccc(Br)cc2)c2ccc3nc(O)[nH]c3c2)cc1 1657631967 IEAPGGJTTNYPOB-UHFFFAOYSA-N 433.309 5.109 30 10 IKEE O=C1/C(=C\c2cccc([N+](=O)[O-])c2)SC(=Nc2ccncc2Cl)N1c1ccccc1 1772735123 GQYQVKVLSIUUAH-DGIAZZNKSA-N 436.880 5.452 30 10 IKEE C/C(C=NN=C1S/C(=C/c2ccccc2O)C(=O)N1Cc1ccco1)=C/c1ccccc1 1772758844 FUFQHHQTFBJBSE-COLKZDKYSA-N 443.528 5.547 30 10 IKEE CCCCCCCCCCN1C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)SC1=S 1858586815 VAXATRPNKFEYMV-OBGWFSINSA-N 429.573 7.047 30 10 IKEE CC(C)c1ccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)nn2-c2ccc(Cl)cc2)cc1 1859397026 HPSIXWVVSOANDJ-UHFFFAOYSA-N 440.934 6.440 30 10 IKEE CCCCCCCCCCn1ccc(=O)c(OCCCOc2ccc(C(=O)OC)cc2)c1 1860774961 XRSOWQLBHWRROG-UHFFFAOYSA-N 443.584 5.624 30 10 IKEE N#Cc1ccc(NC(=O)c2cccc(NC(=O)/C=C/c3ccc(Br)cc3)c2)cc1 1860860452 LSZFDCDKXXEMAJ-MDWZMJQESA-N 446.304 5.225 30 10 IKEE CCCCCCCCNC(=O)CNC(=O)c1ccc2nc(-c3cccc(Cl)c3)[nH]c2c1 1860948999 AYGFYRFNQWMBQT-UHFFFAOYSA-N 440.975 5.090 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(C(C)(C)C)cc2)n(Cc2ccc(C)cc2)n1 1862367042 VCDZUIAGHJDQFW-UHFFFAOYSA-N 427.592 6.019 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2ccccc2)cc1 1862389754 MVYAIHFFPAEFJO-DEOSSOPVSA-N 445.584 5.912 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 1862397223 OKQLVCZZLLLXBN-UUOWRZLLSA-N 449.591 5.286 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(C(C)(C)C)cc1 1862404925 ISDZJAKWWCMCLT-UZUQRXQVSA-N 435.564 5.678 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1c(F)cccc1Cl 1862420934 SIYFJMRCLYTDMS-IBGZPJMESA-N 437.845 5.382 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(F)cc1)c1ccccc1Cl 1862430218 FUUMVVCHLFYKJS-IBGZPJMESA-N 427.884 5.319 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccncc2)cc1 1862432039 VBZOHLCXVZNUDW-QFIPXVFZSA-N 432.907 5.076 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc2c(c1)CCCN2C 1862443208 JVEGOXUQSKHDBZ-QFIPXVFZSA-N 438.955 5.101 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCCN(CC)CC)cc1 1862474815 VVUWOMGLKLZMQJ-VWLOTQADSA-N 448.607 5.258 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 1862479088 YIRNWUCDHCPXEC-JOCHJYFZSA-N 434.492 5.204 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2Cl)c1 1862490727 CKCAYEKITFOPME-QFIPXVFZSA-N 432.907 5.130 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862502255 VFWGNQDDURESBW-XMMPIXPASA-N 449.522 5.612 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1[N+](=O)[O-] 1862582422 DHXVKEMKTCWACP-GOSISDBHSA-N 449.290 5.136 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CC)cc1 1862622821 IFAMLNBQUFORLM-QHCPKHFHSA-N 434.580 5.429 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 1862666347 BNOZIPOQHHTKGE-XMMPIXPASA-N 433.592 6.486 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1cccc2ccccc12)c1ccc(F)cc1 1862678650 SXVLPTJNBDXPDM-HSZRJFAPSA-N 443.499 5.819 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862716311 DISNJQLCYUIMOS-BVZFJXPGSA-N 443.543 6.005 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccc(OC)c1 1862723723 FAMOHPHBQBHMIL-XMMPIXPASA-N 427.500 5.351 30 10 IKEE Cc1cccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3cccc4ccccc34)C2=O)c1C 1862844482 PCFZIMSGNCFINY-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc3c[nH]nc3c2)=C(c2cc(C)ccc2C)C1=O 1863396404 DPNJHCAJNJELQM-UHFFFAOYSA-N 444.579 5.732 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(OC)ccc2OC)=C(c2cccs2)C1=O 1863471196 IBXWJAMWHQODMO-UHFFFAOYSA-N 442.581 5.318 30 10 IKEE Cc1ccccc1-c1ccc2[nH]cc(C(=O)Nc3sc4c(c3C#N)CCC4)c(=O)c2c1 1866475189 PTXMCOVBSOJQIV-UHFFFAOYSA-N 425.513 5.178 30 10 IKEE CC[C@](C)(NC(=O)[C@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866989924 GJGBBXFMYDPYNA-REWPJTCUSA-N 446.378 5.528 30 10 IKEE Cc1ccc(-c2nc(Nc3ccc(C#N)cc3)cc(N3C[C@H](C)Cc4ccccc43)n2)cc1 1868329323 AOBDJUSYGRWCDK-HXUWFJFHSA-N 431.543 6.398 30 10 IKEE CCCCCCCCCCn1cc(OCCc2ccccc2)c(=O)cc1CSC(C)C 1870192220 GGSLZLYFPMXPTM-UHFFFAOYSA-N 443.697 7.252 30 10 IKEE CCCCCCCCCCn1cc(OCc2ccc(C)cc2)c(=O)cc1CSC(C)C 1870218468 JZCBBEQVVZJZMO-UHFFFAOYSA-N 443.697 7.518 30 10 IKEE C=CCOc1cn(Cc2ccc(Cl)cc2)c(CNc2cccc(C(F)(F)F)c2)cc1=O 1870812783 ZJHNXNLRIWNWFY-UHFFFAOYSA-N 448.872 5.746 30 10 IKEE CCCCCCCCn1cc(OCCCC)c(=O)cc1CNc1ccc(Cl)c(C)c1 1871110904 JINPIGJEXDSMCW-UHFFFAOYSA-N 433.036 6.962 30 10 IKEE C=CCn1cc(OCCOc2ccc(C)cc2)c(=O)cc1CNc1cccc(C(C)(C)C)c1 1871213311 VUJVQMYUKMBHAF-UHFFFAOYSA-N 446.591 5.710 30 10 IKEE CC[C@@H](C)N1COc2c(cc3c(c2C)O/C(=C\c2ccc(Br)cc2)C3=O)C1 1871353386 OURIKTWOTQJJEX-JFPGXGMNSA-N 428.326 5.324 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2sccc2C)C3=O)cc1 1871387867 OUYCXMWSNRZEPS-STZFKDTASA-N 434.513 5.989 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(CC)cc2)C3=O)c1 1871389934 VSJDRCCCUTYGAK-XYGWBWBKSA-N 440.495 5.958 30 10 IKEE CCCCN(CCO)Cc1c(O)ccc2c1O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 1871397626 DHNHDKYWFDJOLQ-ITYLOYPMSA-N 443.543 5.270 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2Cl)cc2c1C(=O)/C(=C/c1cccs1)O2 1871403892 CJQJQGDNZVGOHM-GQFJFNLSSA-N 439.920 5.732 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2sccc2C)C3=O)cc1 1871411909 LTUJXINVSZQUOI-JHDSZEHQSA-N 449.528 5.396 30 10 IKEE COc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1sccc1C)C2=O 1871412579 VYRDIUSXBNZAOQ-MNAFEPAFSA-N 435.501 5.087 30 10 IKEE C=CCN([C@@H](CCC)C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)S(=O)(=O)CCCC 1872326779 VGBHLYWJNYAQER-QHCPKHFHSA-N 436.662 5.659 30 10 IKEE Cc1c([N+](=O)[O-])cc(C(=O)[C@@H](C#N)c2nc(-c3cccc(Cl)c3)cs2)cc1[N+](=O)[O-] 1872766981 QZYWTZLTINGBEG-CQSZACIVSA-N 442.840 5.078 30 10 IKEE COc1c(Cl)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)c2ccc(N(C)C)cc2)n1 1872778314 IVVRYCQFNYSSFP-MRXNPFEDSA-N 446.359 5.682 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@H](C#N)C(=O)/C=C\c2ccc(Cl)cc2)n1 1872787943 BMILMQLYFLDKPC-RLXIPRIJSA-N 429.328 6.015 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cccc(C)c2C)=C(c2ccccc2)C1=O 1873413146 OIYLIACUPQKYDH-UHFFFAOYSA-N 432.608 6.636 30 10 IKEE C=CCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)/C=C/c1ccc(C)cc1 1873685302 IZXIGAICUGBMIJ-FOCLMDBBSA-N 434.561 5.084 30 10 IKEE Cc1cccc(CSc2nnc(COc3c(C)cccc3C)n2/N=C/c2cccs2)c1 1874299371 WZVIJAZNYUESOD-AFUMVMLFSA-N 448.617 6.018 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2)cc1C 1874320268 IOSWCEOTRVLAKH-WGOQTCKBSA-N 428.561 5.648 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2ccc(F)cc2F)cc1 1874389727 BXRFKCMPGAERTA-OGLMXYFKSA-N 448.542 5.673 30 10 IKEE Fc1cccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2Cl)c1 1874418523 UJXGQEAKWIFHOE-CVKSISIWSA-N 436.943 5.836 30 10 IKEE Cc1ccccc1/C=N/n1c(Cc2ccccc2)nnc1SCc1ccc(Cl)cc1 1874418817 JYBFBZDNEFFIAO-WGOQTCKBSA-N 432.980 6.005 30 10 IKEE COC(=O)c1ccc(/C=N/n2c(SCCc3ccccc3)nnc2-c2cccs2)cc1 1874422763 CSMMZOLHDULRLL-LFVJCYFKSA-N 448.573 5.010 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2-c2ccccc2)c(OC)c1 1874425740 XUDTYIJVJDCRSY-WGOQTCKBSA-N 444.560 5.445 30 10 IKEE CN(C)c1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2-c2ccccc2)cc1 1874430501 LLUAKRJVIGGXMJ-WGOQTCKBSA-N 447.995 5.839 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2ccco2)c(Cl)c1 1874430685 TXRQGWXKSNIYPL-FSJBWODESA-N 429.332 6.019 30 10 IKEE Cn1cc(/C=N/n2c(CC(C)(C)C)nnc2SCc2cccc(F)c2)c2ccccc21 1874438007 FCBSZXQGLJVCLL-VULFUBBASA-N 435.572 5.672 30 10 IKEE Cc1ccc(CSc2nnc([C@H]3CCCO3)n2/N=C/c2c(Cl)cccc2Cl)cc1 1874442054 RBGIFQUIDKLKMI-QVHMZZSFSA-N 447.391 5.919 30 10 IKEE CC(C)(C)c1ccc(/C=N/n2c(SCCc3ccccc3)nnc2[C@@H]2CCCO2)cc1 1874448978 PNNAMVGWFZMQCV-OVGGYYKHSA-N 434.609 5.644 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2[C@H]2CCCO2)c1 1874450079 SOFYFWYJOQLQCO-LSCMLXDISA-N 442.972 5.356 30 10 IKEE COC(=O)c1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2ccccc2Cl)o1 1874454893 PYHKNFYKLNSJFQ-FSJBWODESA-N 444.944 5.143 30 10 IKEE CSc1nnc(C(F)(F)F)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874458948 OGHSBZSAIKNSJG-AUEPDCJTSA-N 426.851 5.133 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccco3)n2/N=C/c2ccc(C(F)(F)F)cc2)cc1 1874463973 KTGXPNGLKFWFLA-LGJNPRDNSA-N 442.466 6.040 30 10 IKEE COc1ccc(OC)c(/C=N/n2c(SCc3ccccc3C)nnc2-c2ccco2)c1 1874464720 YKMGFAIKETVELI-ZVHZXABRSA-N 434.521 5.038 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(CC(C)C)nnc1SCc1ccc(C)cc1 1874486389 PFWWHZREFIXMFS-JVWAILMASA-N 444.604 6.121 30 10 IKEE COc1cccc(/C=N/n2c(CC(C)C)nnc2SCc2c(Cl)cccc2Cl)c1 1874490757 IXFGPIJFOUFPOX-WYMPLXKRSA-N 449.407 5.967 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)N[C@@H](C)c2ccccc2)c1 1874572550 SWJIZNDHWSTZDG-YLZCUGDYSA-N 449.934 5.501 30 10 IKEE CCOc1c(Br)cc(Br)cc1/C=C/C(=O)c1ccc(F)cc1F 1874576905 MLUBZUCTFORKTB-ZZXKWVIFSA-N 446.085 5.785 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2)cc1 1874580115 YHSGIOMDAFXSGR-GXDHUFHOSA-N 449.934 6.042 30 10 IKEE C=CCOc1c(OC)ccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)c1Br 1874598274 DKEKFCBHNUBKTN-JXMROGBWSA-N 431.326 5.544 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(OC)c1OCc1ccc(Cl)cc1 1874612107 BXLNFEOVJBEAJI-DHZHZOJOSA-N 443.326 6.486 30 10 IKEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1OC 1874616084 IYFUPXNGFMZFQI-UXBLZVDNSA-N 436.335 5.145 30 10 IKEE CCCOc1c(Cl)cc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)cc1OCC 1874628397 BMUZJLLKPGDMRX-VOTSOKGWSA-N 443.754 6.739 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OCc1cccc(C)c1 1874629110 MNEFORCPVDZVMO-VAWYXSNFSA-N 444.571 6.721 30 10 IKEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2cc(OCC)ccc2OCC)cc1Cl 1874630653 MXJYBYXZYUAPKC-JXMROGBWSA-N 446.927 5.366 30 10 IKEE CC(C)(C)C(=O)Oc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1[N+](=O)[O-] 1875115800 WKVFSXZGEBXEJI-VQHVLOKHSA-N 432.270 5.205 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3OC)cc2)cc1 1875117732 JYQVXGHGGCDLEJ-SFQUDFHCSA-N 430.500 5.528 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1)c1cccc(Cl)c1 1875123260 FJZRHQOTNQNJPS-UXBLZVDNSA-N 446.886 5.602 30 10 IKEE COc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2)c(C(C)(C)C)c1 1875127654 QPBPAYHONPGMPZ-FOWTUZBSSA-N 444.527 5.873 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Br)c1OC(=O)CC(C)C 1875134315 WSNCQEBRJVLBGZ-VQHVLOKHSA-N 445.353 5.922 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc([N+](=O)[O-])c1OC(=O)c1cccnc1 1875140781 XMRFSJPISRJZEX-MDZDMXLPSA-N 446.459 5.121 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)c1ccccc1F 1875142817 VEVMJUFQFFKAPX-JLHYYAGUSA-N 448.465 6.126 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2)cc1OC 1875155995 FKEMAUSWDYJHBJ-VIZOYTHASA-N 430.500 5.943 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OC(=O)C(C)(C)C 1875169912 FDRMWJBXUAISBH-OUKQBFOZSA-N 434.576 6.505 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(OC)c(Cl)cc2OC)cc1OCC 1875173126 BAJMWDNCGKAIRK-PKNBQFBNSA-N 446.927 5.748 30 10 IKEE CC#CCCC[C@H](NCCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1879644250 NIHLZENBMGLVTN-NDEPHWFRSA-N 441.615 7.079 30 10 IKEE CC(C)N(C(=O)OC(C)(C)C)[C@H](C#N)c1sc(Cl)cc1I 1889588535 FEOBVUCQYMSUGV-SNVBAGLBSA-N 440.734 5.216 30 10 IKEE C=C1C[C@H]1[C@@H](NCC)c1sc(Br)c(Br)c1Br 1902355275 HJYTVUSMKXZWRV-HZGVNTEJSA-N 430.003 5.262 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@]1(C#N)[C@@H](CNC(=O)OC(C)(C)C)CCCC12CCC2 1924828361 IBYQUNWMUYCGTA-KBMIEXCESA-N 449.636 5.637 30 10 IKEE C=CCCCCC[C@@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 1947487535 JIJKDDYOKTWOTF-ZEQRLZLVSA-N 432.649 5.991 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)C12CCC2 2015371255 DXMOUQBQDHZDQW-QHCPKHFHSA-N 447.963 5.517 30 10 IKEE CC#CCCCC[C@H](NC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2019498674 SFXXBQXZZXHSTN-JYFHCDHNSA-N 428.617 5.002 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)cc1 2031667996 VOPREMBGDNAKNO-HXUWFJFHSA-N 441.503 6.179 30 10 IKEE Cc1ccc([C@H]2C(C=CC(=O)c3ccccc3)=C(c3cccs3)Oc3ccccc32)cc1 2053493132 SWUMXSRWWQVLQO-MUUNZHRXSA-N 434.560 7.431 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2070600084 LXWPNTDSXCDWNX-CLOONOSVSA-N 449.636 5.876 30 10 IKEE C=CC1(CNCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCCC1 2071264479 HQQJLBPVAGKJSF-UHFFFAOYSA-N 427.588 6.681 30 10 IKEE Cc1ccc([C@@H](C2CCC2)n2nc(C(F)F)c(C#N)c2I)cc1F 2079013330 IRZKTUCDKCZNIO-OAHLLOKOSA-N 445.226 5.134 30 10 IKEE Cc1nn([C@@H](c2ccc(OC(C)C)cc2)C(C)(C)C)c(I)c1C#N 2080105222 XKSWOUQUNUCGDH-KRWDZBQOSA-N 437.325 5.091 30 10 IKEE CC[C@]1(Nc2cc(Br)c(C#N)cc2F)CCCN(C(=O)OC(C)(C)C)C1 2105993849 ADDDDOOEUPSTOV-IBGZPJMESA-N 426.330 5.051 30 10 IKEE CCn1cnc(Cl)c1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2118679127 DYDYSKNVPTYPFS-CQSZACIVSA-N 439.741 5.325 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H]3C[C@@H](OCc4ccccc4)C[C@H]32)cc1 2133968249 KHABTUDYKULCHN-RIUBDIQTSA-N 448.563 5.714 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)ccc(F)c1Br 2159123659 CKUPCVVDGCEVLJ-YJBOKZPZSA-N 445.348 5.075 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](CNc2cccc(Br)c2C#N)(C(C)(C)C)C1 2162290591 AICQJMCOXPGJIB-OAQYLSRUSA-N 436.394 5.406 30 10 IKEE CC(C)(C)OC(=O)NCCc1ccc(Nc2cc(Br)cc(F)c2C#N)cc1 2163690482 URHRIYCNLHENCL-UHFFFAOYSA-N 434.309 5.271 30 10 IKEE CO[C@@]1(C)C[C@H]2C[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2185281782 GMXXBEKTNRBMBK-YQMDMEMYSA-N 435.362 5.288 30 10 IKEE C=C(c1ccccc1)[C@H](NCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2197156643 YKTJISQEYHQGSV-FQEVSTJZSA-N 431.374 6.160 30 10 IKEE CC1(C)OB([C@@H]2CCCN(Cc3c(Br)sc4ccccc34)C2)OC1(C)C 2233006163 OSMFZMAITCNWAQ-CQSZACIVSA-N 436.224 5.722 30 10 IKEE CC(C)(C)OC(=O)N[C@H](C[C@@H](O)C#Cc1ccccc1Br)C1CCCCC1 2235740217 NJSQZSYMOWTXEL-AZUAARDMSA-N 436.390 5.025 30 10 IKEE CC(C)[C@H](CCNC(=O)OC(C)(C)C)CC[C@H](N)C#Cc1ccccc1Br 2235746940 MBJQMMMMXLYCSM-HKUYNNGSSA-N 437.422 5.095 30 10 IKEE Cc1c(Br)sc([C@H](C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)c1C 2254669776 ZCQWYXIOFMZMFK-LBPRGKRZSA-N 428.356 5.630 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CN[C@H]2CCCC[C@@H]2C1 2279698569 VRFVSUYREFNEHX-FYINFDKHSA-N 434.378 5.005 30 10 IKEE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@H](CNc2c(Br)cccc2C#N)CC1 2285241454 RAQQBTFYRQLGKF-OYOVHJISSA-N 440.357 5.156 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(Br)c(C#N)c2)C[C@H]1C(F)(F)F 2294644223 ZKYMQYYKLYSEBN-ZFWWWQNUSA-N 448.283 5.063 30 10 IKEE CN[C@H](C#Cc1ccccc1Cl)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2295224243 LIEKFIPRKAXNSB-GOSISDBHSA-N 449.776 5.762 30 10 IKEE CCN[C@@H](C#Cc1cccc(Br)c1)CCCN(C(=O)OC(C)(C)C)C(C)C 2296270569 ABRXPUUYJXNPLZ-HXUWFJFHSA-N 437.422 5.204 30 10 IKEE COc1ccc(C=C2SC(=Nc3cccc(C)c3)N(c3cccc(C)c3)C2=O)cc1OC 2296977129 LRUUZPFPIVDIFJ-UHFFFAOYSA-N 444.556 6.129 30 10 IKEE O=C1C(=CNc2ccccc2Cl)S(=O)(=O)N(Cc2cccc(F)c2)c2ccsc21 2297378424 OEJRBTXDUFYFKV-UHFFFAOYSA-N 448.928 5.027 30 10 IKEE COc1ccc(C=CC(=O)C23CC4CC(CC(C4)C2)C3)cc1Cn1nc(C)c([N+](=O)[O-])c1C 2297549331 QNPMMGIKKSPCBU-UHFFFAOYSA-N 449.551 5.264 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](C2CCC(C#N)(N(C(=O)OC(C)(C)C)C3CC3)CC2)C1 2307664483 DNHBSDXCXUDRRU-JZGPVCMCSA-N 433.593 5.095 30 10 IKEE Cc1cc(C=C2SC(=Nc3cccc(Cl)c3Cl)NC2=O)c(C)n1-c1ccccc1 2313511329 BQDRNGQCCACKBX-UHFFFAOYSA-N 442.371 6.293 30 10 IKEE COc1ccc(CN2COc3ccc4c(c3C2)OC(=Cc2ccc(C(C)C)cc2)C4=O)cc1 2321944914 JDERFQUVGOGLPB-UHFFFAOYSA-N 441.527 5.787 30 10 IKEE COc1cccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2cc(C)ccc2C)C4)c1 2322170916 MTWKWOXHFOGTHY-UHFFFAOYSA-N 441.527 5.589 30 10 IKEE Cc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(CCCc1ccccc1)C3 2322214626 YGQCPNHUSBBMGQ-UHFFFAOYSA-N 425.528 5.704 30 10 IKEE CCCCC[C@H](CC)N1COc2c(cc3c(c2C)OC(=Cc2ccccc2Cl)C3=O)C1 2322356706 FOIAMLPGEGEFCI-FQEVSTJZSA-N 439.983 6.775 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccccc1OCC(=O)Nc1cc(C)cc(C)c1 2322638218 SACJKJBUYSHQLA-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE Cc1ccc(COc2ccc3ccccc3c2C=CC(=O)c2ccc3c(c2)OCCO3)cc1 2322671274 DGPLALNOFCDIEY-UHFFFAOYSA-N 436.507 6.395 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(OC(=O)c3ccc(C(C)(C)C)cc3)c2C)C1=O 2322737948 YDYGFUXYWMTOBX-UHFFFAOYSA-N 432.541 6.498 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OC(=O)Cc4ccc(Cl)cc4)c3C)C2=O)cc1 2322894808 PXDNTERIGGIIFZ-UHFFFAOYSA-N 434.875 5.421 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OCC(=O)Nc1cccc(C)c1 2323169020 WRGSSAOBBTXHNN-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE COC(=O)c1ccc(COc2cccc(C=CC(=O)c3cc(Cl)ccc3Cl)c2)o1 2323327814 WRFASGBWYPCYNQ-UHFFFAOYSA-N 431.271 5.848 30 10 IKEE CCCOc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2sccc2C)C3=O)cc1 2323460271 PVYYYNDLESYVQA-UHFFFAOYSA-N 446.524 6.080 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cccc(C)c3C)c(OC)c2)c1 2323511414 XHFADHOIKPWGSZ-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OCc1ccccc1Cl 2323960022 YAPQFDYTPXAUQG-UHFFFAOYSA-N 446.974 7.169 30 10 IKEE Cc1cc(OC(=O)CCc2cccs2)cc2c1C(=O)C(=Cc1ccc(C(C)C)cc1)O2 2323983507 SLCARTOGQMZBKP-UHFFFAOYSA-N 432.541 6.334 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc(OC)c1OCc1ccc(C)cc1 2324366009 YGJACSFJFZAJFK-UHFFFAOYSA-N 446.543 6.113 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1 2324478086 PYLVZCHYKYKSCX-IBGZPJMESA-N 439.511 5.827 30 10 IKEE Cc1cccc(OCCCOc2ccc3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)c1 2324561611 BBQBVYMJSJCRNI-UHFFFAOYSA-N 431.444 5.367 30 10 IKEE COc1ccccc1C=C1Oc2cc(OCCCCOc3cccc(C)c3)ccc2C1=O 2324570254 LUTHYQQUXBOGSH-UHFFFAOYSA-N 430.500 5.858 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OCc2cccc(C)c2)c([N+](=O)[O-])c1 2324703913 AZGRKJHAXGQHRX-UHFFFAOYSA-N 437.879 6.040 30 10 IKEE N#C[C@@H](C(=O)C(=Cc1ccccc1)c1ccccc1)c1nc(-c2ccc(Cl)s2)cs1 2324817319 PJVSJBBEBORRNY-IBGZPJMESA-N 446.984 6.942 30 10 IKEE CC(C)c1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 2324834584 YMJBBABOVULUJT-IBGZPJMESA-N 441.383 7.130 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(Cl)cc2F)cc2c1C(=O)C(=Cc1cccs1)O2 2325490476 VDRKHAULZNVIJL-UHFFFAOYSA-N 443.883 5.483 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(C(C)(C)C)cc2)cc2c1C(=O)C(=Cc1ccco1)O2 2325552615 HEOBAAZXKDFHLJ-UHFFFAOYSA-N 431.488 5.519 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccccc1)C2=O 2325723857 XXBUWRITWORNAB-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE Cc1cc(C(=O)C=Cc2cccc(OC(=O)[C@H](C)Oc3ccc(Cl)cc3)c2)ccc1F 2325741990 XIDCXWSTFLURJC-KRWDZBQOSA-N 438.882 6.057 30 10 IKEE CCCCOc1cccc(C=Nn2c(CC)nnc2SCc2ccc(Cl)cc2)c1 2326356987 YEGWWPJNJQVVKQ-UHFFFAOYSA-N 428.989 5.847 30 10 IKEE CCCCCOc1ccc(C=Nn2c(COc3ccc(OC)cc3)nnc2SC)cc1 2328343701 ZJMREGSHNXCFKQ-UHFFFAOYSA-N 440.569 5.039 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(C)c3)n2N=Cc2ccc(O)cc2O)cc1 2329949794 PSPKVYMZHNEWQH-UHFFFAOYSA-N 444.560 5.071 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2cccs2)n1N=Cc1ccccc1C(=O)O 2330330936 BVGFPGHHRPWDHL-UHFFFAOYSA-N 448.573 5.112 30 10 IKEE Fc1cccc(Cl)c1C=Nn1c(Cc2cccs2)nnc1SCc1ccccc1 2330390508 DDRBJYJYRVMLFT-UHFFFAOYSA-N 442.972 5.897 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4ccccc4c3)cc2Cl)cc1C 2330662065 LLFPYDUVSQBZEY-UHFFFAOYSA-N 440.926 7.225 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccco3)c(Br)c2)cc1 2330747842 UGMQRZVNKAGDFB-UHFFFAOYSA-N 425.278 5.720 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccccc1F 2330863096 XRWSDYVSLOJIGV-UHFFFAOYSA-N 432.568 6.334 30 10 IKEE Cc1cccc(CSc2nnc([C@@H]3CCCO3)n2N=Cc2cccc3ccccc23)c1 2330920461 UKYAIXHZVMDJHX-QHCPKHFHSA-N 428.561 5.766 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3ccccc3F)nnc2[C@H]2CCCO2)cc1 2330959175 RHMRODDWKWQCGA-OAQYLSRUSA-N 440.544 5.232 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2C2CCCC2)cc1 2331072091 RAHIIYQQSSTUHI-UHFFFAOYSA-N 448.636 6.516 30 10 IKEE Fc1cccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C(F)(F)F)c1 2331163187 HEKDUYNYXGRCSD-UHFFFAOYSA-N 432.805 5.403 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2)cc1OC 2331215878 MFJLKSFNBSLVGU-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)cc3)c(Br)c2)cc1 2331266733 BPNTWAAZANCXOQ-UHFFFAOYSA-N 435.317 6.181 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1sccc1C 2331292737 ASIHUBSBYUHZCS-UHFFFAOYSA-N 432.541 6.217 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2331349382 OPLHGHPHLBEXCF-UHFFFAOYSA-N 435.407 5.166 30 10 IKEE Cc1ccsc1C=Nn1c(SCC(=O)Nc2cccc(C)c2C)nnc1C1CCC1 2331490181 ZDFAXYLGZGNGQB-UHFFFAOYSA-N 439.610 5.145 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)ccc1OC(=O)c1ccccn1 2331761434 FYMIFCXAMNHWDD-UHFFFAOYSA-N 437.879 5.176 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(-n4cccc4)cc3)cc2)c(C)c1 2331764509 MZXOAGIXSJYAIZ-UHFFFAOYSA-N 435.523 6.518 30 10 IKEE O=c1oc2ccccc2cc1-c1ccc(/N=C/c2ccc(Br)c([N+](=O)[O-])c2)cc1 3139200 OABKXSVIQRGBBI-ZMOGYAJESA-N 449.260 5.881 30 10 IKEE CCOc1cccc(/C=C2\Oc3cc(OC)ccc3C2=O)c1OC(=O)/C=C/c1ccccc1 8823850 OUQJZPBTMLTEJH-SMDHAYCWSA-N 442.467 5.329 30 10 IKEE C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2)nnc1-c1cc2cccc(OC)c2o1 8935308 FEXCJLRCNLYRCY-MRXNPFEDSA-N 448.548 5.314 30 10 IKEE Cc1ccsc1/C=N/c1ccc2cc3ccc(/N=C/c4sccc4C)cc3nc2c1 12576354 COKRHYYQQGUBGB-CIOBDNPFSA-N 425.582 7.629 30 10 IKEE CC(C)COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc3ccccc23)cc1 20885346 IMDYEQJODGBJAB-SQJMNOBHSA-N 439.555 5.879 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(F)c2)cc1 21223458 IGIGRYNYGSGSMR-WTYVLRPYSA-N 442.534 6.594 30 10 IKEE CCc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C(C)C)cc2)cc1 21242643 QJBSWRGYNRGVEC-AYWVHJORSA-N 436.599 7.352 30 10 IKEE CC(C)(C)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2F)n(-c2ccc(C#N)cc2)n1 23426887 LCLIOLWIPGYONJ-UHFFFAOYSA-N 430.405 5.452 30 10 IKEE CCOC(=O)c1ccc2c(c1)nc(SCc1cccc(C#N)c1)n2Cc1cccc(F)c1 25142992 QZNKTFHAYHQDTE-UHFFFAOYSA-N 445.519 5.564 30 10 IKEE OC1=NC(=N/c2ccc(F)cc2)/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)S1 35484916 ZGKIPXYXINHHNA-JCMHNJIXSA-N 440.503 6.410 30 10 IKEE COc1ccc(-n2c(-c3cccc(OC)c3)cc(/C(C)=N\OCc3ccccc3)c2C)cc1 35843401 HMGIFGOQLBPHKC-BRPDVVIDSA-N 440.543 6.411 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O3)CN([C@H](C)c1ccccc1)CO2 41645859 DFEJUGWXLJZEND-RWTUPJDWSA-N 439.555 6.648 30 10 IKEE Cc1ccc(-c2cc(/C=C\c3ccc(C(C)(C)C)cc3)c(C#N)c3nc4ccccc4n23)cc1 50861168 CGKMMOYUKCFUMS-WJDWOHSUSA-N 441.578 7.803 30 10 IKEE O=C(Nc1ccc(F)cc1)[C@@H]1CC(=O)N(Cc2cccs2)/C(=N/c2ccccc2)S1 59108894 MWRKCDNGVHFKEV-NWIBBQCFSA-N 439.537 5.048 30 10 IKEE CCOC(=O)/C(=N\Nc1ccccc1OC)Sc1nc2ccccc2n1-c1ccccc1 59121528 DFSSVJPFQBRRPH-HPNDGRJYSA-N 446.532 5.115 30 10 IKEE CCOC(=O)Cc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2N(CC(C)C)CC(C)C)cc1 59500137 YMUOBILIZMXZTB-CVKSISIWSA-N 439.556 5.569 30 10 IKEE C=CCn1c(SCCC(=O)Nc2ccc(OCC)cc2)nnc1-c1ccc(Cl)cc1 59794974 OCQSADTXXZRLHZ-UHFFFAOYSA-N 442.972 5.304 30 10 IKEE CCCC/C=C/CCCCCCCCCCCCCC1=C(O)C(=O)C(C)=C(OC)C1=O 100179921 REGDQUCFNLAVKM-BQYQJAHWSA-N 432.645 7.688 30 10 IKEE C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)S/C1=N/c1cccc2ccccc12 101085434 DNQJLWYYAYBTHZ-BPMVYWJCSA-N 433.508 5.125 30 10 IKEE Cc1ccc2nc(N3C(=O)C(=O)/C(=C(\O)c4ccccc4)[C@H]3c3ccccc3)sc2c1 102541271 KHRNUCZVOCCLJL-SADKCHQCSA-N 426.497 5.231 30 10 IKEE SCC1(COc2c(I)cc(Cl)c3cccnc23)CCCC1 125217127 JDNOFTJKLBALMM-UHFFFAOYSA-N 433.742 5.362 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/Nc2ccc(F)cc2)cc1Br 169878999 KCYFJZKPDNHLPR-KOEQRZSOSA-N 435.381 7.164 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccc(OC)cc2)cc1 169923333 UPISOPLUDJGAJK-HSZRJFAPSA-N 447.918 5.694 30 10 IKEE COc1cccc(-c2csc(N/N=C\c3ccc(OC)c(OC)c3Br)n2)c1 169940164 LSGARYWGUGUHCE-FBHDLOMBSA-N 448.342 5.044 30 10 IKEE COc1c(Cl)cc(/C=N\Nc2nc(-c3ccc(Cl)cc3)cs2)c(OC)c1Cl 169940906 OOLABTPWHBYLTE-UYOCIXKTSA-N 442.755 6.234 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3ccc(F)cc3)cs2)cc(Cl)c1OC(C)C 169942144 XJBYHEXPIZMXJK-MYKKPKGFSA-N 433.936 6.235 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2cccc(C)c2)cc1 169969396 YRPHXKMBTRCDHM-XMMPIXPASA-N 445.490 5.624 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1cccs1)c1ccc2ccccc2c1 169983999 WQJWLEXXUMFVSJ-QFIPXVFZSA-N 447.462 5.962 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc3ccccc23)cc1 170045628 AYQMRNWGPVKLRA-XMMPIXPASA-N 439.467 5.220 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccc(Cl)cc1 170057296 MFZGTIIEPBRYHT-NRFANRHFSA-N 437.854 5.271 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)cc1)c1cccc(Cl)c1 170059142 KXLHLGARONZIIQ-FQEVSTJZSA-N 439.298 5.167 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2c[nH]c3ccccc23)cc1 170075659 BWHLFHOFBTZFSH-DEOSSOPVSA-N 438.483 5.268 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2c(C)[nH]c3ccccc23)cc1 170103999 QCSZXLDKRBVCCL-HSZRJFAPSA-N 426.472 5.156 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc(OCC(C)C)c3)=C(O)C(=O)N2C2CCCC2)c1 170148459 CDUAUZMTWCFJCH-XMMPIXPASA-N 433.548 5.551 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1ccncc1)c1ccc2ccccc2c1 170207166 IMOLNSGBKILBEV-QHCPKHFHSA-N 442.421 5.296 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccccc1 170231263 WXBSKNAWXMTJOM-DEOSSOPVSA-N 440.543 5.466 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2)cc1C(C)C 170233870 KEXHNROTKAOFIS-XMMPIXPASA-N 433.548 5.648 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@H]1c1ccc(F)cc1 170243691 GCNXMFKCOYZALL-HXUWFJFHSA-N 431.891 5.256 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1ccc(F)cc1 170243952 PWDAGFYAECMYRS-NRFANRHFSA-N 441.886 5.994 30 10 IKEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)cc4)[C@@H]3c3ccccc3F)ccc2O1 170248315 WQVMMDSHCHCRLF-QKFKETGDSA-N 447.437 5.071 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(CC)cc2)cc1 170266333 QBHKKLDWJGHERA-QHCPKHFHSA-N 431.488 5.019 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cc(C)cc(C)c3OC)=C(O)C(=O)N2C2CCCCC2)cc1 170266540 BYMVHMLKSGIVMX-XMMPIXPASA-N 447.575 5.785 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccco2)c1 170280911 BLCYTDYAUIBHMN-DEOSSOPVSA-N 445.515 5.975 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccco1 170286800 IKMXRGKVKPRBJX-LJQANCHMSA-N 444.270 5.378 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2ccc(Cl)cc2)o1 170303271 XHJNIBMHRZJCLJ-RCDICMHDSA-N 449.890 5.348 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@H]1c1ccc(C)o1 170304888 LQAIFYGIPHAARB-QHCPKHFHSA-N 431.488 5.305 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc(OCCC)c1 170323413 IRBPIHHBXRCURE-VWLOTQADSA-N 443.543 6.007 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 170471237 ZRFVRPLOWNSAND-DEOSSOPVSA-N 437.555 5.677 30 10 IKEE CCCOc1ccc(C=NNc2nc(-c3ccccc3)cc(-c3ccccc3O)n2)c(O)c1 254404478 HZYUQZIMSYHWPL-UHFFFAOYSA-N 440.503 5.457 30 10 IKEE Oc1c(Cl)cc(Br)cc1C=Nc1ccc2oc(-c3ccncc3)nc2c1 254577190 KJQGDAZHOAUSFX-UHFFFAOYSA-N 428.673 5.762 30 10 IKEE Cc1cccc(N2C(=O)/C(=C3/Sc4ccccc4N3C)SC2=Nc2cccc(O)c2)c1 254736834 POPSVHWYECIZRI-SEYIQKDNSA-N 445.569 5.879 30 10 IKEE CCCCCCCCC[C@H](NC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 406833878 HAGDNBAXSZBZGL-FQEVSTJZSA-N 441.454 7.197 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccccc2OC)cc1 526487433 YDTHIYMOFLNFQG-VWLOTQADSA-N 440.499 5.413 30 10 IKEE CCOc1cc([C@@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)ccc1O 526491525 PGNOBTREESKKPF-XMMPIXPASA-N 426.472 5.028 30 10 IKEE CC(=O)Oc1ccc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526514505 CZAKIVBGLDFEQR-QHCPKHFHSA-N 444.874 5.194 30 10 IKEE CCCCCCCCCC[C@H](COC(=O)CCC)Sc1ccc(O[C@@H](C)CC)cc1 585664439 IXSVKMXYLUJZCA-WIOPSUGQSA-N 436.702 8.199 30 10 IKEE C#CC[C@@H](CC(=O)O)c1ccc(OCc2cccc(-c3ccc(C(F)(F)F)cc3)c2)cc1 607715920 XYOUHLZVVWMUTK-NRFANRHFSA-N 438.445 6.533 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1ccc(F)c(Cl)c1 698491638 ZRCIXNHOJDJPQR-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2cc(F)cc(Br)c2)cc1 698979030 MGZCNKADGWPNSC-GOSISDBHSA-N 435.293 5.603 30 10 IKEE CCCCCCCCC[C@H](NCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 707888019 ZARDKZXSOOQKKK-ZKMPZPQNSA-N 448.692 6.604 30 10 IKEE CCOc1cc(C=NNc2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)s2)ccc1O 1083980712 FEMOJFQXKHXIAN-UHFFFAOYSA-N 449.963 6.681 30 10 IKEE Oc1c(Cl)cc(Cl)cc1C=NNc1nc(-c2ccccc2)c(-c2ccccc2)s1 1084096054 AEWCZIQRHXWGLF-UHFFFAOYSA-N 440.355 6.936 30 10 IKEE O=C1/C(=C/c2cccc([N+](=O)[O-])c2)SC(=Nc2cccnc2Cl)N1C1CCCCC1 1772732503 FPQPQAOZDLKYSD-SDWZUDADSA-N 442.928 5.580 30 10 IKEE O=C1NC(=NN=Cc2ccc(-c3ccc(Cl)cc3)o2)S[C@@H]1Cc1cccc(Cl)c1 1772742407 QAWBLHZSKNCKKT-LJQANCHMSA-N 444.343 5.418 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(Cl)cc1Cl 1862415783 GGTPFUVEFCYMMX-QGZVFWFLSA-N 426.246 5.260 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(O)cc1 1862443388 OYNLAGUKWDZPEC-JOCHJYFZSA-N 441.955 5.984 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccccc1Cl 1862464351 UXEQJBULXKXJCZ-LJQANCHMSA-N 437.845 5.382 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 1862481247 ALHMYJLIWMOJHE-OAQYLSRUSA-N 444.358 6.213 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2cccc(F)c2)c1 1862489735 ZYXPRJDHHYGXOT-QHCPKHFHSA-N 449.909 5.874 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1cccc(F)c1 1862529293 DQGDICYBWYDXFG-XMMPIXPASA-N 437.555 6.327 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2cccc(Cl)c2)c1 1862561665 WGWWVWYOEKMEBI-QFIPXVFZSA-N 432.907 5.009 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1OC 1862573170 WDXXEAWMCLHUNS-HSZRJFAPSA-N 437.536 5.062 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCC2=CCCCC2)c1 1862598432 UZRMITZHBATMQK-XMMPIXPASA-N 447.531 5.260 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccc(Br)c1 1862670209 OGWVFXBPEFMCFT-LJQANCHMSA-N 428.326 5.171 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 1862678884 WLYZEEMTNAMOPL-JOCHJYFZSA-N 439.527 5.128 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2ccccc2C)cc1 1862686971 FONWUWUIJKSZJF-XMMPIXPASA-N 427.500 5.091 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2cccc(F)c2)cc1 1862687063 GBMJMKFIHCRENM-DEOSSOPVSA-N 445.490 5.230 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1c(F)cccc1Cl 1862719027 HRXPZXNZZSABNY-FPTDNZKUSA-N 437.898 6.009 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C2CC2)cc1 1862721950 TZDHKTMFLDNXFA-RUZDIDTESA-N 440.543 5.427 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(-c3ccccc3)cc2)=C(O)C(=O)N1CC(C)C 1862722057 MTNFJZOOWRGGGC-VWLOTQADSA-N 425.528 5.896 30 10 IKEE Cc1ccc(NC2=C(c3cccc4ccccc34)C(=O)N(c3ccccc3C#N)C2=O)c(C)c1 1862854370 VATUZFQYORLCRF-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE N#Cc1ccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 1863173201 GTCMSCZQSLDTNX-UHFFFAOYSA-N 448.309 5.257 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(Cl)cc2)C1=O 1863180095 USPDHSWNOLOJPD-FQEVSTJZSA-N 435.955 5.763 30 10 IKEE N#Cc1cccc(NC2=C(c3ccccc3Cl)C(=O)N(Cc3ccc(Cl)cc3)C2=O)c1 1863447751 ZWOBKMLIPBVHBG-UHFFFAOYSA-N 448.309 5.257 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(OCCC)cc2)C(=O)N(CCC)C1=O 1863681044 MKSGYMPTDVETII-UHFFFAOYSA-N 428.617 5.696 30 10 IKEE CCCCCCOc1ccc2[nH]cc(C(=O)Nc3sc4c(c3C#N)CCCC4)c(=O)c2c1 1866444113 NPUBACYEYXHJHD-UHFFFAOYSA-N 449.576 5.551 30 10 IKEE N#Cc1cccc(Nc2cc(N3CCc4ccc([N+](=O)[O-])cc43)nc(Cc3ccccc3)n2)c1 1868201424 ZAAPCYBAPWMBDW-UHFFFAOYSA-N 448.486 5.285 30 10 IKEE CCCc1nc(Nc2ccc(C#N)cc2)cc(N2C[C@@H](C)N(c3ccccc3)[C@H](C)C2)n1 1868401247 UBGSDGYJOXJAGS-WOJBJXKFSA-N 426.568 5.148 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)CCCOc2ccc3ccccc3c2)n(C(C)(C)C)n1 1870000017 BXBCNQFDVMTVFU-UHFFFAOYSA-N 447.583 5.162 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)NCc2ccccc2Cl)c(=O)cc1C 1870082936 GEUCPRSIJNOFPZ-UHFFFAOYSA-N 447.019 5.646 30 10 IKEE CC(C)c1ccc(-n2nnc(C#N)c2NC(=O)CCCOc2ccccc2C(C)C)cc1 1870162498 VVGDDDAJNSRKNU-UHFFFAOYSA-N 431.540 5.183 30 10 IKEE CCCCCCCOc1cn(C[C@H](O)c2ccc(Cl)cc2)c(CN(CC)CC)cc1=O 1870414320 LKJSUMMQBCWLDS-DEOSSOPVSA-N 449.035 5.426 30 10 IKEE Cc1ccc(-c2nc(C#N)c(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)o2)cc1 1871280921 XBSQKLQOYJYUSG-UHFFFAOYSA-N 431.473 5.115 30 10 IKEE COc1ccc([C@@H](C)N2COc3cc(C)c4c(c3C2)O/C(=C\c2ccccc2C)C4=O)cc1 1871354463 RAFJEQBTIHJDIT-LPANUZLBSA-N 441.527 5.841 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1cccc(Cl)c1)C3=O)CN(C1CCCCCCC1)CO2 1871355641 RTFSBROVMIHAOH-QRVIBDJDSA-N 437.967 6.529 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(Cl)c2)C3=O)c1 1871387255 LUGVRMKEKHWWEH-XKZIYDEJSA-N 434.875 5.883 30 10 IKEE CCCOc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871387888 PDNMGJSSKMHNNN-UCQKPKSFSA-N 448.902 6.273 30 10 IKEE CC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(Cl)cc2)C3=O)c1 1871390042 BHJNTTZOQDEDKH-UUYOSTAYSA-N 448.858 5.409 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3c(ccc(OCc4ccc(C#N)cc4)c3C)C2=O)c1 1871417328 IWPOSVWRWHCPNS-CFRMEGHHSA-N 427.456 5.079 30 10 IKEE CCOc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871452771 YLRIPDXISGDNQY-QRVIBDJDSA-N 449.890 5.372 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc(C)c4C)ccc3C2=O)cc1 1871459728 ZPYDXFXDGUEPCA-QFEZKATASA-N 443.499 5.336 30 10 IKEE C=CCN(CC=C)c1nc(=NCCCCC)nc(Nc2ccc(-c3ccccc3C)cc2)[nH]1 1871639445 IYGOTRUTVGYFBW-UHFFFAOYSA-N 442.611 5.793 30 10 IKEE C=CCN([C@H](C(=O)Nc1cccc(C(C)(C)C)c1)c1ccccc1)S(=O)(=O)CCCC 1872228653 JYDYDJZYAUVEEK-QHCPKHFHSA-N 442.625 5.282 30 10 IKEE N#C[C@@H](C(=O)c1ccccc1I)c1nc(-c2ccc(F)cc2)cs1 1872776837 ZEJKXUPITIHPGQ-AWEZNQCLSA-N 448.260 5.044 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)c2ccc3cc[nH]c3c2)n1 1872777176 IBHGJGNDPMQJSI-LJQANCHMSA-N 429.545 6.088 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(OC(C)C)cc3)n2)cc1Cl 1872785065 DOYMEVBMXRWUPE-SFHVURJKSA-N 440.952 5.678 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H](CC)CCCCC)=C(c2ccc(C)c(C)c2)C1=O 1873141363 VXHWPJYGVSFMNF-DEOSSOPVSA-N 440.672 6.692 30 10 IKEE CCCCCCCCNC(=O)c1cc2c(N(CC)CCCC)ncnc2n1CC(C)C 1873577516 VXZNKZXNPLUPQD-UHFFFAOYSA-N 429.653 5.804 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(Br)c2)cc2c(NCCCCC)ncnc21 1873622859 NCWFKSCTMPEGCB-UHFFFAOYSA-N 442.361 5.234 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1/N=C/c1cccnc1 1874194662 ALXUFCNLIOXBMB-WPWMEQJKSA-N 449.624 5.533 30 10 IKEE CCCOc1ccccc1/C=N/n1c(CCc2ccc(Cl)cc2)nnc1SCCC 1874284525 LJBQXEDRNDEUIZ-KOEQRZSOSA-N 443.016 5.890 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccccc1 1874297431 BLSDDVJSLVKZPL-JFLMPSFJSA-N 446.551 5.788 30 10 IKEE CCCOc1ccc(/C=N/n2c(CCc3cccc(OC)c3)nnc2SCCC)cc1 1874310787 NNQMEJXUWIHJQX-XIEYBQDHSA-N 438.597 5.245 30 10 IKEE Cc1cccc(CSc2nnc(CCOc3ccccc3)n2/N=C/c2cccc(O)c2)c1 1874344670 ZYSBSAAMVYCZQD-YZSQISJMSA-N 444.560 5.088 30 10 IKEE Clc1cccc(CSc2nnc(-c3ccccc3Cl)n2/N=C/c2ccncc2)c1 1874367808 GCOVQKUYCJTVHK-DHRITJCHSA-N 440.359 5.821 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccc(F)cc3)n2/N=C/c2cccs2)c1 1874379971 VOPWEPZYSURUAP-AFUMVMLFSA-N 436.581 5.861 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCCc2ccccc2)nnc1-c1cccs1 1874422732 BBWNAHDBDCADDO-XIEYBQDHSA-N 448.617 6.012 30 10 IKEE Oc1cccc(/C=N/n2c(SCc3ccccc3Cl)nnc2-c2cccs2)c1 1874422997 PEWDKKUETIGSPZ-WSDLNYQXSA-N 426.954 5.540 30 10 IKEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(F)cc3)nnc2-c2ccccc2)cc1 1874426336 CWMVCBPFKDQHTR-CVKSISIWSA-N 445.523 5.006 30 10 IKEE COc1cc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccccc2)cc(Cl)c1O 1874438832 WAESSUSTKNCZJJ-ZMOGYAJESA-N 444.988 5.409 30 10 IKEE CCSc1nnc(C2CCC2)n1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1874493073 UZSJGXMVAUGLPZ-WPWMEQJKSA-N 442.588 6.272 30 10 IKEE COCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1cccc2ccccc12 1874505170 DNCUGIQMRJRSHA-BRJLIKDPSA-N 440.931 5.545 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C)n2/N=C/c2ccc(C(C)(C)C)cc2)c1C 1874528324 CGCJCEBBCZINTR-AFUMVMLFSA-N 435.597 5.114 30 10 IKEE CSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(F)cc1 1874540551 QQHCYFCEAOXTRU-FSJBWODESA-N 439.343 5.340 30 10 IKEE Cc1cccc(COc2ccc3ccccc3c2/C=C/C(=O)c2ccc(Cl)cc2Cl)c1 1874573403 MIHKJTPFGGOFHT-OUKQBFOZSA-N 447.361 7.930 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Cl)ccc1OCC(=O)Nc1ccc(C)cc1 1874576920 NINMJAJNBZUGGQ-UKTHLTGXSA-N 435.907 5.571 30 10 IKEE O=C(/C=C/c1c(OCc2ccccc2Cl)ccc2ccccc12)c1ccc2c(c1)OCO2 1874582856 KBDDPHREGVDJTI-VAWYXSNFSA-N 442.898 6.697 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3ccccc3C)c2)c(OCC)c1 1874600642 WDLFCMQWLFFTEZ-RVDMUPIBSA-N 446.543 6.276 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc(Br)c1OCCO 1874606227 CYOXDWSOIRKEST-GORDUTHDSA-N 446.124 5.032 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OCc1ccccc1Cl 1874614715 PZJHEZYKHQGOOR-OUKQBFOZSA-N 427.327 6.867 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OCc1c(F)cccc1Cl 1874614926 XPVQFAIREJTVFD-VAWYXSNFSA-N 445.317 7.006 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OCc2cccc(Cl)c2)c([N+](=O)[O-])c1 1874619743 QAVCOWFVETVGMM-VQHVLOKHSA-N 437.879 6.040 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OCc1cccc(C)c1 1874621907 BGNWQLFEVMIFLA-XNTDXEJSSA-N 444.571 6.785 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OCc1ccc([N+](=O)[O-])cc1 1874623210 QNXPDKDBXBLADY-RVDMUPIBSA-N 439.467 6.232 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(Cl)c1OCCc1ccccc1 1874623642 NOONPRJCWCVSMY-CCEZHUSRSA-N 442.942 7.019 30 10 IKEE Cc1ccccc1COc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1[N+](=O)[O-] 1874629280 VIDHHNPSAGBMQX-ZRDIBKRKSA-N 429.516 6.612 30 10 IKEE C=C(C)COc1c(Cl)cc(/C=C/C(=O)c2cc(Cl)c(OC)cc2OC)cc1OC 1874631301 VLMFIYVZVGHPQA-VOTSOKGWSA-N 437.319 5.870 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c([N+](=O)[O-])c2)cc1C 1874633341 XNTOMPPWRAFYMH-IZZDOVSWSA-N 432.432 5.595 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OC(=O)Cc1ccc(C)c(C)c1 1875111820 MNIZRRFQMUZPQM-ACCUITESSA-N 448.946 6.400 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1)c1ccc2cc(Cl)ccc2n1 1875120179 GNSMKZDHQOCPTR-KGVSQERTSA-N 449.840 6.282 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)Cc1ccccc1 1875121303 JMPKSBHEPILCJL-VAWYXSNFSA-N 436.891 5.401 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)c1ccccn1 1875123302 GEWHOPGHGADHRB-CMDGGOBGSA-N 428.271 5.512 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1)c1cccc(Cl)c1 1875124148 CKNVRCDLUZQSJW-ONNFQVAWSA-N 425.799 5.503 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(Br)c(OC(=O)CC)c(OC)c2)cc1 1875138108 GMYWJVDAROXNAA-IZZDOVSWSA-N 447.325 5.458 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2Cl)cc1 1875175177 CDFXCIZHIXAJSO-KPKJPENVSA-N 434.919 6.010 30 10 IKEE CCCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OC 1875183684 NVORRNJYCLTTGV-CMDGGOBGSA-N 445.353 5.985 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(F)c(C(F)(F)F)c3)cc21 1891263099 DPJVYZTWSBGEDP-UHFFFAOYSA-N 436.405 5.034 30 10 IKEE C=C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)(c1ccccc1)C(C)(C)C(=O)O 1927439109 JQFDNBFFQXZLAE-MUUNZHRXSA-N 441.527 5.717 30 10 IKEE Cc1ccccc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c1ccccc1)[C@H](NCCC)[C@]1(CCC)CCCCN1C(=O)OC(C)(C)C 2056336637 WGXOMDMPFLYAOU-IGKIAQTJSA-N 444.660 6.088 30 10 IKEE C=CCN(C[C@@H](NCC)c1c(Cl)ccc(Br)c1F)C(=O)OC(C)(C)C 2058345655 KPMRGXYXTSSGQK-CQSZACIVSA-N 435.765 5.315 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)c(Br)c(Cl)c1 2060546891 UKQXVYQQJCSZAU-ZDUSSCGKSA-N 435.721 5.040 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)CC2(C)C)c1 2065978757 JFZYLMSLFYKBEH-RUZDIDTESA-N 443.588 5.666 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]12[C@@H](NC(=O)OC(C)(C)C)[C@H]3CC[C@H]1[C@H]2C3 2076924659 HDHWEZMYYUNGGL-BHBMZHJCSA-N 440.628 5.067 30 10 IKEE CC(C)c1nn([C@@H](c2ccc(C(F)(F)F)cc2F)C(C)(C)C)c(Br)c1C#N 2079881689 OTCMMHTZFYPWER-INIZCTEOSA-N 446.286 6.434 30 10 IKEE CC(C)Oc1ccc([C@@H](C2CCC2)n2nc(C3(C)CC3)c(C=NO)c2Br)cc1 2080057632 LRXAJDXWHHAZLG-LJQANCHMSA-N 446.389 5.682 30 10 IKEE CC(=O)Oc1ccc([C@@H](n2nc(C(F)(F)F)c(C#N)c2Br)C(C)(C)C)cc1 2080102210 QFBSMYVMCRGARX-OAHLLOKOSA-N 444.251 5.097 30 10 IKEE N#Cc1c(C2CCCCC2)nn(Cc2c(F)cccc2Br)c1Br 2080307501 VSAFTHVLTBQTAI-UHFFFAOYSA-N 441.142 5.515 30 10 IKEE Cc1nn(C(F)(F)F)c(I)c1-c1ccc(F)c(C(F)(F)F)c1 2080824831 YEFMNZGSKRAVOM-UHFFFAOYSA-N 438.084 5.097 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C1(NC(=O)OC(C)(C)C)CCC2(CC2)CC1 2082402701 YHBWBFRXSAASHN-QHCPKHFHSA-N 442.644 5.745 30 10 IKEE CCN[C@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)C1CCCCCC1 2142972058 XVZIFUVBLVSAQY-GDLZYMKVSA-N 446.683 5.463 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCC2(CCNCC2)C1 2155271464 QLKBJAQYTPLQBQ-NRFANRHFSA-N 434.378 5.007 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCC[C@@H]2CCCC[C@@H]21 2201123375 PKZVAEXNNDQODO-BPXKWBHBSA-N 433.390 6.443 30 10 IKEE C=CCCCCCC[C@@H](N)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2206901747 DSDQEPBRVKHWOG-WOJBJXKFSA-N 439.438 5.739 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Br)cc1CC 2229246880 CUEHQZCCALZXJK-MOPGFXCFSA-N 425.411 5.522 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Br)cc1CC 2229246899 CUEHQZCCALZXJK-RTBURBONSA-N 425.411 5.522 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)c(Br)cc1Cl 2252868537 DGKNPSGEKKEUSX-GFCCVEGCSA-N 438.149 5.164 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](C2CC(C#N)(N(C(=O)OC(C)(C)C)C3CCCCC3)C2)C1 2254314121 ZZSBTWAWSDLMOB-ONSGGECDSA-N 447.620 5.486 30 10 IKEE C=CCCC1([C@H](NC)c2c(F)cccc2Br)CN(C(=O)OC(C)(C)C)C1 2266302827 QRCOALFJMFRAGH-QGZVFWFLSA-N 427.358 5.052 30 10 IKEE C=CCCC1([C@H](N)Cc2ccc(Cl)cc2Br)CN(C(=O)OC(C)(C)C)C1 2266306110 UIYATDPPNIEVBT-QGZVFWFLSA-N 443.813 5.176 30 10 IKEE Cc1cccc(C(=O)Nc2ccccc2OCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2282687109 ASWOFXNIGQTPGN-UHFFFAOYSA-N 443.352 5.126 30 10 IKEE CCOc1cc(C=C2SC(=Nc3ccc(CC)cc3)NC2=O)cc(Br)c1O 2294002078 IZLHGUSAPDPEFD-UHFFFAOYSA-N 447.354 5.007 30 10 IKEE COc1ccc(N=C2C(=O)N3c4c(cc(F)cc42)C(CN2CCC(C)CC2)=CC3(C)C)cc1 2297602854 QVTAVNVXMAAQSB-UHFFFAOYSA-N 447.554 5.209 30 10 IKEE CC(C)(C)c1ccc(C=C2SC(=NN=Cc3ccccc3)N(Cc3ccco3)C2=O)cc1 2314819069 RGSJONOTLGJETO-UHFFFAOYSA-N 443.572 6.084 30 10 IKEE FC(F)(F)c1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc2cc[nH]c2c1 2321784382 APRJFHPQHJQDAU-UHFFFAOYSA-N 435.862 5.606 30 10 IKEE Fc1ccc(COc2ccc(C=Nn3c(S)nnc3-c3ccccc3Cl)cc2)cc1 2321993320 LRIHPSYANYEDAK-UHFFFAOYSA-N 438.915 5.488 30 10 IKEE CCCCCOc1ccccc1C=Nn1c(S)nnc1C1CCC(CCCC)CC1 2322106783 QAPYPDSBBXAZEB-UHFFFAOYSA-N 428.646 6.482 30 10 IKEE O=C(COc1ccc2ccccc2c1C=CC(=O)c1ccc(F)cc1F)NC1CCCCC1 2322498545 CLIDVNDYWVZYEL-UHFFFAOYSA-N 449.497 5.842 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2c(C)cccc2C)cc1 2322549498 MGSIKMSLBAOUQZ-UHFFFAOYSA-N 429.516 5.616 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OC)c2OCc2ccc(Cl)cc2)c1 2322667249 SLOYHLJAKDBGKV-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccccc4C)c3C)C2=O)c(OC)c1 2322681163 JKHXQTXAXSZXIF-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE CCc1ccccc1NC(=O)COc1cccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)c1 2323099673 YSQNOTDUTQMOIM-UHFFFAOYSA-N 430.460 5.071 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OCC(=O)Nc1ccccc1C 2323302194 WPZLZTKHOJVHND-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OCC(=O)Nc2ccc(C)cc2C)c1 2323331974 GUFJZDNWWQKIQH-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCOc1cc(C=NS(=O)(=O)c2ccccc2)ccc1OCc1ccccc1Cl 2323441751 JAJRZRPICCEYNK-UHFFFAOYSA-N 429.925 5.126 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(Cl)cc2)C3=O)c1 2323802532 AUCSUNVILWNGCH-UHFFFAOYSA-N 434.875 5.883 30 10 IKEE CCOc1cc(OCC)c([N+](=O)[O-])cc1C=NNc1nc(-c2ccc(F)cc2)cs1 2323865292 GGFRJLINTONGBK-UHFFFAOYSA-N 430.461 5.101 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2OC)C3=O)cc1 2323865547 QPIDLVLPPOOXCQ-UHFFFAOYSA-N 442.467 5.404 30 10 IKEE CCCCCCOc1ccc2c(c1C)OC(=Cc1ccc(OC)c(OC)c1OC)C2=O 2324261851 JAOCGRKVKNSJAF-UHFFFAOYSA-N 426.509 5.596 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OCC(=O)NCc3ccco3)cc2)cc1C(C)C 2324261918 VECXOCHAJJUIKU-UHFFFAOYSA-N 447.531 5.311 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4c(C)cc(C)cc4C)ccc3C2=O)cc1 2324331581 NCYZTPLTYVNSIW-FQEVSTJZSA-N 441.527 5.942 30 10 IKEE COc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccccc1)C2=O 2324473651 INYPYDMSQFBONN-QGZVFWFLSA-N 429.472 5.026 30 10 IKEE Cc1cccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2)C3=O)c1C 2324499025 PZQXAMRDPPYBBD-IBGZPJMESA-N 427.500 5.634 30 10 IKEE O=C1C(=Cc2ccco2)Oc2cc(OCC(=O)N(c3ccccc3)c3ccccc3)ccc21 2324860918 MLQHQBJKIPRMBN-UHFFFAOYSA-N 437.451 5.640 30 10 IKEE CC(=O)Nc1ccc(C(=O)COc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1 2325234752 HKGUDQFXZUVMMC-UHFFFAOYSA-N 447.874 5.176 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccccc1OCCC 2325532379 DNOMSWFHUNRFQG-UHFFFAOYSA-N 443.016 6.237 30 10 IKEE CCOc1ccc(C=CC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OCC 2325642526 CJGZYQCVVJCZQP-UHFFFAOYSA-N 431.488 5.497 30 10 IKEE CCc1ccccc1OCC(=O)Oc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC 2325735476 RUSBKKVZHUPVIR-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2c(C)cc(C)cc2C)cc1OC(=O)C1CC1 2325764486 IYMQLELXHYLLLS-UHFFFAOYSA-N 443.337 5.594 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2C)n1N=Cc1c[nH]c2ccccc12 2327092450 XZVCCJDAWXWCFC-UHFFFAOYSA-N 445.592 5.630 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccccc3C)n2N=Cc2ccco2)CC1 2328120602 ITTSNZCBJMZACL-UHFFFAOYSA-N 436.625 6.818 30 10 IKEE Cc1cccc(CSc2nnc(COc3c(C)cccc3C)n2N=Cc2cccn2C)c1 2328552271 FKEAAJAEVCNGCO-UHFFFAOYSA-N 445.592 5.295 30 10 IKEE COc1ccc(CCc2nnc(SCc3cccc(F)c3)n2N=Cc2ccccc2)cc1 2328573550 NYRRZRFCNPCVFR-UHFFFAOYSA-N 446.551 5.386 30 10 IKEE COc1ccccc1CCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccco1 2328692531 FQRGIAKMYBUEAX-UHFFFAOYSA-N 446.576 5.456 30 10 IKEE C=CCSc1nnc(COc2ccc(C)cc2C)n1N=Cc1ccc(C(C)(C)C)cc1 2328907128 FIFTUSAZAJJVEY-UHFFFAOYSA-N 434.609 5.932 30 10 IKEE Clc1ccc(CSc2nnc(CCc3cccs3)n2N=Cc2ccccc2)cc1 2329686875 HISZBAOJPAXYTQ-UHFFFAOYSA-N 439.009 5.953 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccccc3)n2N=Cc2ccc(Cl)cc2)cc1 2329874306 IUQXNEABYHGOSX-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2Cl)n1N=Cc1cccc(O)c1 2330113146 KGBUJRXCJSFYEV-QGZVFWFLSA-N 448.979 5.963 30 10 IKEE CCCC(=O)Oc1c(OCC)cc(C=CC(=O)c2ccc3ccccc3c2)cc1[N+](=O)[O-] 2330669728 NVDDYNCKHZLGLR-UHFFFAOYSA-N 433.460 5.748 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3cccc(F)c3)c(OC)c2)c1 2330773209 OYGLTNGEVPPNDV-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE Cc1ccc(CSc2nnc(CC(C)(C)C)n2N=Cc2ccc3c(c2)OCCO3)cc1 2330802169 HSEYFQAWNLZFMS-UHFFFAOYSA-N 436.581 5.121 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)c(C)c3)c(OC)c2)cc1 2330989908 WKUQYBBWRUSWGJ-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC(=O)c1ccc(C)cc1 2331018527 HIXLBJOHKROFIH-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3ccccc3C)nnc2-c2ccco2)c1 2331174384 CXWWJSUFHRPCHP-UHFFFAOYSA-N 432.549 5.810 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(OC)ccc2OC)cc(OC)c1OC(=O)CCCC 2331394006 RSOHYTFCWUXJPA-UHFFFAOYSA-N 438.520 5.433 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)ccc1OC(=O)C(C)(C)C 2331597048 POKJVROFWSFAAC-UHFFFAOYSA-N 444.527 6.725 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1ccc(C(C)C)cc1 2331630818 YFUUVCFLLJFSRN-UHFFFAOYSA-N 439.560 5.106 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1Br 2331768942 OYSJTEXYCUJCNW-UHFFFAOYSA-N 429.354 6.366 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)c(OC)cc2C)cc(Cl)c1OC(=O)CCOC 2331851722 BZSDXHFHALTDJK-UHFFFAOYSA-N 446.927 5.202 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2OC)ccc1OC(=O)CC1CCCCC1 2331885084 NGQBKBOXGFETML-UHFFFAOYSA-N 442.939 6.129 30 10 IKEE O=C(C#C[C@H]1CC1(F)F)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2341017898 GWGNOFCHEFZTPL-BKMJKUGQSA-N 448.465 5.106 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)ccc1OC 2364626131 WXVMLWVUKATVPQ-PKOBYXMFSA-N 441.410 5.358 30 10 IKEE O=C1/C(=C/c2cc(Br)cs2)CCC/C1=C\c1cc(Br)cs1 20115609 KGCRDLSSNNHMBD-ZVSIBQGLSA-N 444.213 6.555 30 10 IKEE C=CCc1cccc(/C=N/N2C(=O)c3ccccc3N[C@H]2c2cccc(CC=C)c2O)c1O 20161173 GCSOQTVZDUNLIC-UPKGHWAZSA-N 439.515 5.155 30 10 IKEE Cc1cccc(Cl)c1COc1ccc(/C=N/Nc2nc(SCCC(C)C)n[nH]2)o1 20425209 PSDZFFGNUHMWKA-SSDVNMTOSA-N 433.965 5.523 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(F)cc2)cc1 20881790 KSPGUQZKWQVSFD-WTYVLRPYSA-N 442.534 6.594 30 10 IKEE COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(Cl)c2)c1 21244925 BRJPBJWJDBAXIO-WXTAPIANSA-N 430.935 6.328 30 10 IKEE Cc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(Cl)c(Cl)c2)C3)cc1[N+](=O)[O-] 21252419 VINQBKVSMJMSBP-GJZGRUSLSA-N 445.302 5.214 30 10 IKEE O=C(/C=C/c1ccco1)Nc1ccc(C(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1 39850903 UZFOVSNQEPTXDK-MWGZXAIVSA-N 443.886 6.741 30 10 IKEE O=C(/C=C/c1c[nH]nc1-c1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2cccs2)cc1 40464911 AYVOAJQFZPVYPQ-DHZHZOJOSA-N 444.472 5.195 30 10 IKEE COc1cccc2cc(C(=O)Oc3ccc4c(c3)O/C(=C\c3cccc(F)c3)C4=O)oc12 41354165 HAZVIMUFBROLEO-NHDPSOOVSA-N 430.387 5.416 30 10 IKEE CCCCCCCOc1ccc(NC(=O)CNc2cccc(OCCOCC)c2)cc1 100088786 OZIFTUXWVUESQA-UHFFFAOYSA-N 428.573 5.502 30 10 IKEE CCCCCCCOc1ccc(NCC(C)(C)CCCOc2cc(C)ccc2C)cc1 100152674 LFKPUHKYXHNPSP-UHFFFAOYSA-N 425.657 7.950 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2 100359946 ASJJSQLKZJXIRK-ZYLNGJIFSA-N 430.419 8.169 30 10 IKEE CCCCOc1ccc(C(=O)/C(=C\c2ccc(OC)cc2)c2nc3ccccc3o2)cc1 102823919 SHQPBAVHNOIMNH-PTGBLXJZSA-N 427.500 6.439 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)O/C(=C/c2ccc4c(c2)OCO4)C3=O)cc1 103022170 DFZSSNONVFSAFH-ZMOGYAJESA-N 442.467 5.548 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C)cc2C)cc1 169925761 CJLCGIZXFBSOJE-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE CCCOc1c(Cl)cc(/C=N\Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1OCC 169940752 FAKMGIYCZKMKDM-MXAYSNPKSA-N 444.000 6.714 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccc(O)cc2)cc1 169959508 SLXNJVXJLZYLME-RUZDIDTESA-N 427.500 5.057 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2C)cc1 170029974 XEJVHKZDMFFFDD-QHCPKHFHSA-N 447.918 5.830 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2ccccc2)cc1 170032716 LYSXYPRHOACUQS-DEOSSOPVSA-N 443.499 5.267 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccccc2)c1 170048712 FYLWHVJDQADCCV-RUZDIDTESA-N 441.527 5.992 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccc(F)cc2)cc1 170061394 SPOJVMUCMBBNHT-DEOSSOPVSA-N 445.490 5.624 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(C(C)C)cc1 170067263 XNMFXBSJNKMCHE-QHCPKHFHSA-N 449.478 5.329 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1cccc(O)c1)c1ccc(Cl)cc1 170079892 LRAADFUCJQUQBZ-HXUWFJFHSA-N 441.817 5.107 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2c2ccccc2)c1 170141711 TWVKVCCBYLVUQI-OAQYLSRUSA-N 438.310 6.085 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccs2)c1 170163735 OXPFJCHKMRKCCG-HXUWFJFHSA-N 445.968 5.711 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccccn2)cc1Cl 170172388 GIEFZRVKBLGSEI-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccccc1 170223012 MSCKQULJVYCLGX-QFIPXVFZSA-N 449.453 5.373 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccccc2)cc1C 170225280 UWQMZXYFIQRSBY-RUZDIDTESA-N 441.527 5.793 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccccc2)c1 170228359 VGNQQEIXQYQCJQ-XMMPIXPASA-N 438.483 5.130 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccc1 170233621 ZACGCVRUKAQWCU-DEOSSOPVSA-N 429.516 5.233 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@@H]1c1ccccc1F 170253191 LKOBWWOZSBSCNV-FQEVSTJZSA-N 431.891 5.256 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2C2CCCC2)cc1 170268683 RVFKLNHCTWARLW-VWLOTQADSA-N 445.603 6.376 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccc2C)c(OC)c1 170271445 JDPJKMUMFACLGJ-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC(C)C)cc3)[C@H]2c2ccco2)c(C)c1 170289438 DZTASNPTWSODAW-XMMPIXPASA-N 445.515 5.714 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@@H]1c1ccc(C)o1 170301786 ZAHVHHQSYILWRG-HSZRJFAPSA-N 431.488 5.305 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2sccc2C)cc1 170316337 ZDHGQWXOVFZYGT-HXUWFJFHSA-N 437.517 5.217 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(C(C)(C)C)cc1 170468617 UPULJDKCHJSTRS-JOCHJYFZSA-N 449.934 6.322 30 10 IKEE CCn1c2ccccc2c2cc(C=NN3CCN(Cc4ccc(Cl)cc4)CC3)ccc21 252629633 UKLUKQFXADFNPT-UHFFFAOYSA-N 430.983 5.620 30 10 IKEE N#CCC[C@H](O)c1cc(Br)c(OCc2ccccc2)c(Br)c1 309663064 ZBCBFRHKHIDPNI-INIZCTEOSA-N 425.120 5.128 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)cc1 526606037 BXUJLLSHPVUOBX-NRFANRHFSA-N 437.282 5.628 30 10 IKEE Cc1cc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccccc2)ccc1Br 586197945 SZJMREBFWMALBR-UHFFFAOYSA-N 441.350 5.025 30 10 IKEE Cc1ccccc1N(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586242346 XPJHURBNBQJTEV-UHFFFAOYSA-N 431.344 5.569 30 10 IKEE CCCCCCC[C@@H](NCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 693664122 UAJFTTIPYNYCQH-XMMPIXPASA-N 445.692 5.885 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C1 698908125 GULKCNKCLBWYHH-OPAMFIHVSA-N 435.590 5.024 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)cc1 698989673 TXBAZYMMZBECNL-MZNJEOGPSA-N 445.560 5.118 30 10 IKEE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@H](C#N)c1cccc(Br)c1Cl 706501268 VCPLWQBDKNJNQV-SWLSCSKDSA-N 429.742 5.083 30 10 IKEE CSc1cnc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)s1 712919988 OVRDBCBLSCTHLL-CYBMUJFWSA-N 440.388 5.634 30 10 IKEE Cc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2cccc(OC(F)F)c2)cc1 738005949 CXIALQZMHSNUDF-UHFFFAOYSA-O 438.479 5.079 30 10 IKEE O=C(Nc1ccc(Cl)cc1)[C@@H]1CC(=O)N(Cc2ccccc2)C(=Nc2ccccc2)S1 1083908868 GZMDMBUDQUVXMJ-NRFANRHFSA-N 449.963 5.501 30 10 IKEE O=C(Nc1ccccc1)ON=C1C=CC(=NOC(=O)Nc2ccccc2)c2ccccc21 1084270934 FAJIPZPBWSTBLO-UHFFFAOYSA-N 426.432 5.162 30 10 IKEE COc1ccc(C=NNc2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)s2)cc1OC 1084341796 PJSHNPAKAXTGES-UHFFFAOYSA-N 449.963 6.594 30 10 IKEE CCN(CC)C(=O)[C@H]1CCCN(c2ccc(C(F)(F)F)cc2N=Cc2ccccc2O)C1 1084516593 GBJVJBFHWJWQRC-SFHVURJKSA-N 447.501 5.246 30 10 IKEE CN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2)SC1=Nc1ccccn1 1772730748 WWKSZISTKQMHIY-QNPCYTEQSA-N 435.936 5.548 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=Nc1ccccn1 1772730768 YAAPYWQDWWFVIR-PUYZJMEQSA-N 430.316 5.882 30 10 IKEE Cc1ccccc1N=C1S[C@@H](CC(=O)c2ccc(F)cc2)C(=O)N1c1ccccc1C 1772760128 SBARGWRCLBLHTH-QHCPKHFHSA-N 432.520 5.852 30 10 IKEE Cc1ccc(NC(=S)N/N=C\c2cn(-c3cccc(F)c3)nc2-c2cccs2)cc1C 1857809284 TWFODSGPEYMIQR-MXAYSNPKSA-N 449.580 5.677 30 10 IKEE N#Cc1cccc(C(=O)NCc2ccc(OC(=O)c3cc(Cl)cc(Cl)c3)cc2)c1 1859036677 SOJPUUXVWDYHCI-UHFFFAOYSA-N 425.271 5.014 30 10 IKEE COc1ccccc1-c1nc2cc(C(=O)Nc3sc4c(c3C#N)CCCC4)ccc2o1 1859742847 GRNVCHQRCKKFMZ-UHFFFAOYSA-N 429.501 5.568 30 10 IKEE Cc1ccc2nc(-c3ccc(NC(=O)C(=O)/C=C/c4ccc([N+](=O)[O-])s4)cc3)sc2c1 1860729208 BFYXWWFPJREPPH-JXMROGBWSA-N 449.513 5.462 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)/C=C/c1ccc(OC)cc1OC 1861561302 OPUQXJCXQJYNNI-YJCCFKNTSA-N 446.632 5.259 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)c1c(F)cccc1Cl 1861845294 ITNJKRNZJYBLQC-HXUWFJFHSA-N 427.004 6.025 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(C(C)(C)C)cc1 1862382750 JTXXWRYDGVEJAY-FQEVSTJZSA-N 446.374 6.279 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C2CC2)c1 1862386619 RAUNVRNTKCEEAO-HXUWFJFHSA-N 446.330 5.523 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccccc2C)cc1 1862389368 DMQBTAUIINGIEZ-RUZDIDTESA-N 449.591 5.731 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2cc(C)ccc2C)c1 1862442228 HQAXSCNGMOGUNV-DEOSSOPVSA-N 445.946 6.044 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1F 1862446172 MJZOVJWPCDIQBU-FQEVSTJZSA-N 433.882 5.777 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccc(C(C)C)cc2)cc1 1862476927 GOMQCDUFINKUAI-FNZWTVRRSA-N 439.555 6.458 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1 1862477447 XEMODCFPFYUFMO-QHCPKHFHSA-N 439.983 6.587 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCc2cccs2)c1 1862488988 MOCMKAVCQGGRSK-HSZRJFAPSA-N 447.556 5.195 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(C(F)(F)F)cc1 1862495885 XDTCFUZMQGUMJX-OAQYLSRUSA-N 445.481 6.091 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1cccc2ccccc12 1862528601 ZNFQTCLENNGJQT-HXUWFJFHSA-N 436.305 5.201 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 1862532463 DLEJAVHTEAKFBU-QFIPXVFZSA-N 434.492 5.068 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(Cl)c(Cl)c2)c1 1862563012 SLXHYRWUWSDCOY-IBGZPJMESA-N 431.319 5.097 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCCC)cc1 1862567279 OQIGWZUENMGCBS-QHCPKHFHSA-N 436.552 5.216 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862599857 MABVUOJSQHLQNU-UZUQRXQVSA-N 437.536 5.338 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(F)cc1F 1862661130 PEBMHKVXMAIIQB-JOCHJYFZSA-N 427.491 5.713 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)c1 1862676504 KNNAOZUHNWGZNE-POCHDABASA-N 437.511 5.381 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C2CCCC2)cc1 1862679844 OLROICUZTXEGAP-HSZRJFAPSA-N 437.511 5.526 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccccc2C)c1 1862698236 DOSPSNCLHCALON-DEOSSOPVSA-N 433.548 5.695 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc2cc[nH]c2c1)c1ccc2ccccc2c1 1862715661 XKZJHLAAKZOQEJ-VWLOTQADSA-N 448.478 5.693 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cc(Cl)cc(Cl)c1 1862720989 JXHDVWXHTCQQJY-HXUWFJFHSA-N 426.299 5.745 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)=C(O)C(=O)N1[C@H](C)c1ccccc1 1862737575 XVIYATZFJIUDQR-HXOBKFHXSA-N 442.471 5.243 30 10 IKEE CC(C)(C)c1ccccc1N1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(F)cc2)C1=O 1862775563 UDQLIVIUPILFTQ-UHFFFAOYSA-N 439.490 5.391 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(Nc2cccc(C#N)c2)=C(c2c[nH]c3ccccc23)C1=O 1863495543 XPENWULBKMGNNV-FQEVSTJZSA-N 440.547 5.590 30 10 IKEE CC(C)Oc1ccc(/C=C(/C(=O)N2CCn3c(C#N)ccc3[C@H]2C)c2ccccc2)cc1 1866310057 SKIBJBHQQIYPJO-GGVNPZCGSA-N 425.532 5.291 30 10 IKEE CCc1cccc(OC2CCN(c3cc(Nc4ccc(C#N)cc4)nc(CC)n3)CC2)c1 1868291177 KJNKLOMOMAPDKA-UHFFFAOYSA-N 427.552 5.264 30 10 IKEE COc1ccc2c(c1)C[C@H](C)CN2c1cc(Nc2cccc(C#N)c2)nc(C(C)(C)C)n1 1868333719 RRXHGIPEKQIRJZ-KRWDZBQOSA-N 427.552 5.728 30 10 IKEE CC(C)c1cc(C(C)C)cc(-n2nnc(C#N)c2NC(=O)c2ccc(Cl)c(Cl)c2)c1 1870137532 QDFILOSPCYONDV-UHFFFAOYSA-N 442.350 5.945 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(Cl)c(Cl)c2)cn1CCC(C)C 1870404904 UXQBCLYKHQSTQO-UHFFFAOYSA-N 449.422 5.954 30 10 IKEE C=CCn1cc(OCCOC(C)C)c(=O)cc1CN(Cc1ccccc1)Cc1ccccc1 1870541468 JVGIVZUGTWYUIT-UHFFFAOYSA-N 446.591 5.041 30 10 IKEE C=CCn1cc(OCCCOc2ccc(CC)cc2)c(=O)cc1CNc1ccc(C)cc1 1870880774 AXYSVJBWZURVEX-UHFFFAOYSA-N 432.564 5.365 30 10 IKEE C=CCn1cc(OCCOc2ccc(Cl)cc2)c(=O)cc1CNc1cc(C)cc(C)c1 1870883005 WZELHYQRCJYQIW-UHFFFAOYSA-N 438.955 5.374 30 10 IKEE Cc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCCCc2ccccc2)C4)cc1 1871354439 QNARYWFITIWXCT-ONUIUJJFSA-N 439.555 6.094 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccccc4)cc(C)c3C2=O)cc1 1871385542 ZEUMFYJSKGUHOZ-VVTYEFPJSA-N 426.468 5.629 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871405545 FWEKMSFDJUKUMU-GEWRUKCFSA-N 447.462 5.165 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)c1 1871412141 PMRCHBUBWGAPMU-GHRPQRKGSA-N 431.463 5.465 30 10 IKEE CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)c1 1871426752 XNGFZXVSQYAFDU-OGQLAUOESA-N 445.446 5.051 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1cc(C)c2c(c1)O/C(=C\c1ccccc1F)C2=O 1871429299 OQFNWGRUNFETQS-XUVWKZFSSA-N 440.511 6.031 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccc(F)cc4)c3C)C2=O)cc1 1871456604 NDZAMIDQLWYMAS-UCQKPKSFSA-N 447.462 5.167 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1871758565 HJLLPMXRZDIXEU-QHCPKHFHSA-N 442.625 5.294 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(C)cc1)[C@H](C)CC)S(=O)(=O)c1c(C)cc(C)cc1C 1871775679 GBHPHRXRIWODGW-XXBNENTESA-N 442.625 5.150 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 1871836362 QEPRQCQUSBRQFZ-DEOSSOPVSA-N 442.625 5.493 30 10 IKEE C=CCN([C@H](C(=O)Nc1cc(Cl)ccc1C)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872464829 ANBRDJKRPHLQSW-JTSKRJEESA-N 449.016 5.187 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NS(=O)(=O)c1c(C)cc(C)cc1C 1872614109 ZRUOSNGEDOQCCJ-DEOSSOPVSA-N 438.678 5.316 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(Cl)c(C)c3)n2)c(C)c1C 1872778433 LBQCCTNUOYOSBR-GOSISDBHSA-N 440.952 5.653 30 10 IKEE COc1ccc(Cl)cc1C(=O)[C@@H](C#N)c1nc(-c2ccc(OC)c(C)c2C)cs1 1872778630 PKVDIKAIIFASKA-QGZVFWFLSA-N 426.925 5.588 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)C(Cl)(Cl)Cl)n2)cc1C(C)C 1872779207 DSPGITRZMYJWHG-CYBMUJFWSA-N 431.772 5.797 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3c(F)cccc3Cl)n2)c(OC)c1OC 1872782944 YFWUHTRMRMNCOG-GFCCVEGCSA-N 446.887 5.118 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ccc(Cl)cc3)n2)cc1Cl 1872789919 YWOCCLFZOXWBNU-MRXNPFEDSA-N 431.344 5.935 30 10 IKEE N#Cc1ccccc1NC(=O)c1ccc2nc(CCCOc3ccc(Cl)cc3)[nH]c2c1 1872804499 CFFMNJZAZBNWPQ-UHFFFAOYSA-N 430.895 5.352 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCC)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873085338 KSPVVYJJLJULFH-UHFFFAOYSA-N 446.635 6.574 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(C)cc2)=C(c2ccccc2C)C1=O 1873302691 DGGMNULLNBJBKS-UHFFFAOYSA-N 432.608 6.636 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1cccc(C)c1C)n2Cc1ccco1 1873662466 LZNSLHGLZIMWLK-UHFFFAOYSA-N 441.535 5.120 30 10 IKEE C=CCn1c(C(=O)Nc2cc(Cl)ccc2C)cc2c(N3C[C@@H](C)C[C@H](C)C3)ncnc21 1873665201 FHGKGWVGGZFHBQ-HOTGVXAUSA-N 437.975 5.314 30 10 IKEE CCCSc1nnc(-c2ccccc2Cl)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874368096 UVOVIUVEJOPFNR-SSDVNMTOSA-N 437.352 5.350 30 10 IKEE Cc1cccc(/C=N/n2c(Cc3ccccc3F)nnc2SCc2cc(C)ccc2C)c1 1874375983 YKFDUCWKNODVHE-LQKURTRISA-N 444.579 6.108 30 10 IKEE Cc1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SCCc2ccccc2)cc1 1874376432 WHRJNYXZVKKETJ-OVVQPSECSA-N 430.552 5.533 30 10 IKEE Cc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2Cl)cc1 1874418462 QRGAXXWQYGNGPN-WGOQTCKBSA-N 432.980 6.005 30 10 IKEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3C)nnc2C2CCCC2)cc1 1874454891 ZYZBVSOKKBKLSE-MFKUBSTISA-N 433.581 5.166 30 10 IKEE CCCCc1nnc(SCc2ccccc2C)n1/N=C/c1ccc(Cl)c(Cl)c1 1874476111 DCEDWUMIVFVPKD-ZMOGYAJESA-N 433.408 6.410 30 10 IKEE CC(C)(C)c1nnc(SCc2ccccc2F)n1/N=C/c1cccc(Br)c1 1874484468 YAQIANOVGYIIQY-FSJBWODESA-N 447.377 5.652 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CC(C)C)nnc1SCc1ccccc1Cl 1874490096 ZIWJWRPGTJZYAL-MFKUBSTISA-N 441.000 5.869 30 10 IKEE CCCSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1/N=C/c1ccco1 1874541460 BLCPLCFODUZRQG-LPYMAVHISA-N 439.368 5.574 30 10 IKEE Cc1cccc(OCc2nnc(S)n2/N=C/c2ccccc2OCc2ccccc2)c1C 1874563331 XAJZWHZMPKHFLH-CVKSISIWSA-N 444.560 5.224 30 10 IKEE COc1cccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2cc(C)ccc2C)c1 1874573313 HHWBJNUJSPQTJH-BUHFOSPRSA-N 445.515 5.234 30 10 IKEE Cc1ccc(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1C 1874575534 RZAXUIDZOBUGEF-GXDHUFHOSA-N 430.460 5.125 30 10 IKEE O=C(/C=C/c1cccc(OCc2c(Cl)cccc2Cl)c1)c1ccc2ccccc2c1 1874593122 SQKQMSXLCQXKNU-SDNWHVSQSA-N 433.334 7.622 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)cc2)o1 1874603922 MBDQNYRRDLGCNH-OQLLNIDSSA-N 430.500 5.810 30 10 IKEE CCc1ccc(NC(=O)COc2c(Cl)cc(/C=C/C(=O)c3ccccc3)cc2OC)cc1 1874614784 YQWINQSGXXRLND-SDNWHVSQSA-N 449.934 5.825 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1 1874624211 RHQNOJHSVYYOHQ-RIYZIHGNSA-N 433.935 6.377 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2Cl)cc1 1874624235 SGMKFOMQOXWPEP-MKMNVTDBSA-N 447.962 6.685 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OCc1c(F)cccc1Cl 1874625591 MFSQWWKANWJHOK-WUXMJOGZSA-N 428.862 6.492 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1)Nc1ccccc1 1874637871 WFLUQNDKZPKKEF-MDWZMJQESA-N 426.299 5.907 30 10 IKEE CCCC(=O)Oc1cc(/C=C/C(=O)c2ccc(F)cc2F)c(Br)cc1OC 1874699592 CDYXFWCQIGSLEM-VMPITWQZSA-N 439.252 5.338 30 10 IKEE CCc1ccccc1OCC(=O)Oc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC 1874703581 WMFUBBIPFIDHDM-WYMLVPIESA-N 444.527 5.755 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OC(=O)CCc1ccccc1C 1874703971 QGZFRIUIYGZIDS-MDWZMJQESA-N 432.491 5.885 30 10 IKEE CCc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc4c(c3)OCCO4)ccc2OC)cc1 1874706792 ZKGHEAWXZMNSKN-IZZDOVSWSA-N 444.483 5.144 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)Cc2cccs2)c1 1874711972 MKULCNHLBOLXLO-BQYQJAHWSA-N 447.339 6.108 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1OC(=O)c1ccccc1Cl 1874712001 NBHFJDZBQHAEAZ-ZRDIBKRKSA-N 448.946 6.698 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OC(=O)C1CC1 1874716238 IYMQLELXHYLLLS-BQYQJAHWSA-N 443.337 5.594 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2)c(C)c1 1874716576 ZAOJNWCVVLDPEN-DHZHZOJOSA-N 429.472 5.944 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)Cc1ccc(F)cc1 1875094159 DXWKXYAAIJXPHB-XYOKQWHBSA-N 449.434 5.177 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)cc2Cl)c1 1875097406 JQXOSRDGWGBQCA-YRNVUSSQSA-N 444.958 6.951 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3c(F)cccc3Cl)c(Cl)c2)c1 1875102884 RRYNUCOFUBWDPM-CSKARUKUSA-N 445.273 6.256 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2Br)cc1 1875128219 SVSJWQOEWKQIFX-NTUHNPAUSA-N 437.289 5.573 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3F)c([N+](=O)[O-])c2)cc1 1875138135 HPYCBUWMRXGDOP-NTUHNPAUSA-N 449.434 5.638 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OCCC)cc2)cc1Br 1875138737 VDRLAVHOJUBSTB-NTUHNPAUSA-N 445.353 6.230 30 10 IKEE COc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OC 1875139898 GTQLSHGYNLXVPC-ACCUITESSA-N 446.499 5.201 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1 1875145750 REDAJEYPWWHTDF-WEVVVXLNSA-N 446.543 5.722 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OC(=O)C1CCCC1 1875150511 QRPHCWZXAPMMFM-SOFGYWHQSA-N 428.868 5.069 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)CCCSC 1875176163 ZEIFOOFVYXEEAQ-CSKARUKUSA-N 432.969 5.910 30 10 IKEE CC#CCCCC[C@H](NCC)c1ccc(I)c(Br)c1 1885235800 IVURAWZBJQTMKD-INIZCTEOSA-N 434.159 5.288 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C1(N(C)C(=O)OC(C)(C)C)CCCCC1 1922081734 ZTLQPPVIHUCSOL-QHCPKHFHSA-N 430.633 5.697 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@H](CNC(=O)OC(C)(C)C)CC1CCCC1 1922085526 JCKMTXJEOUEGMZ-BJKOFHAPSA-N 430.633 5.459 30 10 IKEE COc1cc(C)ncc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 1927182644 QZWCSIBQWVVZLJ-KRWDZBQOSA-N 432.318 5.168 30 10 IKEE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccccc1C#N 1984693858 GABNUVDBIHCHPW-VWLOTQADSA-N 439.515 5.060 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@@]1(C#N)CCCCN(Cc2ccccc2)C1 2003425967 GGLRAGBLIXOJDU-RUZDIDTESA-N 439.987 6.030 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)C1(C#N)CC2(CN(C(=O)OC(C)(C)C)C2)C1 2011945442 OFRQGGRLJBGWQN-UHFFFAOYSA-N 427.545 5.030 30 10 IKEE N#Cc1ccc(Oc2nc(Br)c(Br)s2)c(Br)c1 2020561784 MKERHDSLGAXUHT-UHFFFAOYSA-N 438.926 5.095 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)C1(NC(=O)OC(C)(C)C)CCC2(CC2)CC1 2023715161 VAVKLZZRRSPISW-JOCHJYFZSA-N 428.617 5.355 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)C[C@H](C)C2)cc1 2041561333 ZPLJDQGXCZXYMQ-KBMIEXCESA-N 443.588 5.666 30 10 IKEE C=CC[C@@H](C)[C@H](NCCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071267561 QOWWRTFTDHGJEN-BTYSJIOQSA-N 429.604 7.098 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccccc1 2072712589 BSBBGZYNXKKSNY-LJQANCHMSA-N 428.326 5.218 30 10 IKEE CC(C)[C@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)(F)F)c(C(N)=O)c1Cl 2079972328 TUTVJUHYDXZJQF-LLVKDONJSA-N 431.739 5.058 30 10 IKEE CCCOc1ccc([C@@H](C(C)C)n2nc(C3CCC3)c(C=NO)c2Br)cc1 2080064088 NQUYGTLCJYCLLN-HXUWFJFHSA-N 434.378 5.755 30 10 IKEE Cc1nn([C@H](c2ccc(OC(C)C)cc2)C(C)(C)C)c(I)c1C#N 2080105223 XKSWOUQUNUCGDH-QGZVFWFLSA-N 437.325 5.091 30 10 IKEE N#Cc1c(C(F)(F)F)nn(Cc2ccc(C(F)(F)F)c(Br)c2)c1Cl 2080278881 KWVMWWJWTTYYON-UHFFFAOYSA-N 432.549 5.257 30 10 IKEE Fc1c(F)c(F)c(-c2cc(Cl)n3nc(C(F)(F)F)c(C4CC4)c3n2)c(F)c1F 2081185609 HDMGJIGNOQHXJU-UHFFFAOYSA-N 427.682 5.641 30 10 IKEE C=CCN(C[C@@H](NCCC)c1cccc(Br)c1Cl)C(=O)OC(C)(C)C 2081392752 RDFZNFAWWJEFTE-MRXNPFEDSA-N 431.802 5.566 30 10 IKEE N#C[C@H](NC1CCCCCC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134725477 JSJXCZUSYRSZAE-MHZLTWQESA-N 440.587 6.722 30 10 IKEE Cc1cc(C#N)cc(NCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)c1 2134727097 CNJSXZXJRCJNED-UHFFFAOYSA-N 434.539 6.637 30 10 IKEE C#CCCCC[C@@H](NCCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134732173 QXEKXZMBVWVREW-MUUNZHRXSA-N 441.615 7.079 30 10 IKEE CC1(C)OB(c2ccc(CNc3cc(Cl)c(Br)cc3F)cc2)OC1(C)C 2151196404 UPVRKUUAHLRRFQ-UHFFFAOYSA-N 440.549 5.153 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1cc(Br)c2c(c1)OCCCO2 2164257626 MILYPKLAWQDGHM-NRFANRHFSA-N 432.358 5.034 30 10 IKEE CC(C)N(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cccc(Br)c1C#N 2174813524 XJSMIUZGKOGVOI-MRXNPFEDSA-N 436.394 5.183 30 10 IKEE Cc1c(NC(=O)OC(C)(C)C)cccc1C(=O)Nc1ccc(Br)cc1C#N 2181138114 XMGMKXSAPUALRC-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@H](C#N)c1c(F)ccc(Br)c1F 2231229224 WCAZLAYOJKBCNP-AWEZNQCLSA-N 443.313 5.791 30 10 IKEE C=CCCCCC[C@H](NC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237417824 ZPIOJWAAOLGKHA-VQTJNVASSA-N 439.438 5.609 30 10 IKEE COc1ccc(C#CC(=O)c2ccc(Br)cc2NC(=O)OC(C)(C)C)cc1 2237857110 RIWJAGYJUDWVIE-UHFFFAOYSA-N 430.298 5.039 30 10 IKEE C#CC(CC)(CC)NC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2243918811 LSWMXCIYWXVOCV-VWLOTQADSA-N 446.591 5.248 30 10 IKEE CC(C)(C)C#CC=CC[C@H](O)c1cc(Br)ccc1I 2268830388 IWEFRULEZLHSHC-HNNXBMFYSA-N 433.127 5.083 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)c1ccccc1NC(=O)OC(C)(C)C 2296294481 UWTVHNKNASMGRN-LJQANCHMSA-N 429.358 5.498 30 10 IKEE CN[C@H](C#Cc1ccc(Br)cc1)c1cccc(N(C)C(=O)OC(C)(C)C)c1 2296297094 VPIWABGXVUNGPX-HXUWFJFHSA-N 429.358 5.133 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Br)ccc2OCc2ccc(F)cc2)cc1 2322353485 GKOUABVTCYHLCS-UHFFFAOYSA-N 439.324 6.626 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1c(OCC(=O)OCC(C)C)ccc2ccccc12 2322846784 RLXXEKTZYNPRRC-UHFFFAOYSA-N 446.543 5.939 30 10 IKEE Cc1ccc(NC(=O)COc2cccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1C 2323099508 NLLRWUACPDTXNX-UHFFFAOYSA-N 430.460 5.125 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)c3C)C2=O)c1 2323231890 BQKYWVACBLXEMH-UHFFFAOYSA-N 449.846 5.700 30 10 IKEE CCCCCCCCNC(=O)[C@](C)(CC)NC(=O)C=Cc1ccc(Cl)cc1Cl 2323330438 SDLGSBNZKZDQQR-QFIPXVFZSA-N 427.416 5.768 30 10 IKEE Cc1c(OC(=O)C=Cc2ccc(C(C)C)cc2)ccc2c1OC(=Cc1ccccn1)C2=O 2323503905 RLNRLNYZEYCWQK-UHFFFAOYSA-N 425.484 5.748 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1[N+](=O)[O-] 2323946258 PDQHPRIOICYWNN-UHFFFAOYSA-N 438.524 5.135 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)cc(OC)c1OCc1ccccc1F 2324129535 XUTSMLBZIGZHOB-UHFFFAOYSA-N 442.486 6.471 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc([N+](=O)[O-])c1OCC 2324266218 GSTFQKCQDUMRNR-UHFFFAOYSA-N 427.497 5.729 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OCc1cccc(C)c1 2324355974 KTBQUNXPFKNXHO-UHFFFAOYSA-N 428.572 7.103 30 10 IKEE Cc1cccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2)C3=O)c1C 2324499026 PZQXAMRDPPYBBD-LJQANCHMSA-N 427.500 5.634 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OCC(=O)Nc1ccccc1F 2324567839 PTDOILZVWGHVNB-UHFFFAOYSA-N 447.506 5.673 30 10 IKEE COc1cccc(C=C2Oc3cc(OCCCCOc4ccccc4)cc(C)c3C2=O)c1 2324582605 STAJAXHVKDVIEB-UHFFFAOYSA-N 430.500 5.858 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cc(OC)c(OCc3ccccc3)c(OC)c2)cc1C 2324628596 UHBSDCMSIVKDOL-UHFFFAOYSA-N 432.516 5.804 30 10 IKEE CCc1ccc(NC(=O)[C@@H](CC)Oc2ccc3c(c2C)OC(=Cc2ccc(C)o2)C3=O)cc1 2324820450 GOARCWUSKAXXJU-JOCHJYFZSA-N 445.515 5.871 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1OC(=O)CCc1ccccc1 2325701360 XQHBWVNCJFANDI-UHFFFAOYSA-N 440.539 6.008 30 10 IKEE Cc1ccc2oc(=O)cc(COc3cc(C)c4c(c3)OC(=Cc3cccs3)C4=O)c2c1 2325741501 TUULOUASSCIYSI-UHFFFAOYSA-N 430.481 5.667 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2cccc(OC(=O)c3ccccc3[N+](=O)[O-])c2)c1C 2325756999 UJZHMBVINRUROB-UHFFFAOYSA-N 429.472 5.944 30 10 IKEE CCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1N=Cc1cccs1 2325843249 FRCXDLDLTFTZES-UHFFFAOYSA-N 428.627 5.643 30 10 IKEE Cc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(OC(C)C)c(Cl)c1 2326467798 YFJFLPSOVCJYSJ-UHFFFAOYSA-N 435.380 5.855 30 10 IKEE CCCOc1cccc(C=Nn2c(C)nnc2SCc2ccc(Cl)cc2Cl)c1 2326697919 GKEOFJHSNSTKMV-UHFFFAOYSA-N 435.380 5.857 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2N=Cc2cc(Cl)ccc2O)CC1 2328179962 IKNZHVQLHUXJGS-UHFFFAOYSA-N 435.037 6.485 30 10 IKEE CCCCC1CCC(c2nnc(SCC(=O)OC)n2N=Cc2cccc(F)c2)CC1 2328194996 FPKCVBGAZVJDTC-UHFFFAOYSA-N 432.565 5.029 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1ccc(N(C)C)cc1 2328790138 LMVIEFRQPXUEFW-UHFFFAOYSA-N 435.597 5.090 30 10 IKEE Cc1cccc(CSc2nnc(COc3cccc(C)c3C)n2N=Cc2ccccc2)c1 2328828079 JXTQWXRIYNMTHS-UHFFFAOYSA-N 442.588 5.957 30 10 IKEE CCCSc1nnc(COc2ccc(C)cc2C)n1N=Cc1ccc(C(F)(F)F)cc1 2328904705 INLOANCIYGUMFD-UHFFFAOYSA-N 448.514 5.877 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3F)n2N=Cc2ccccn2)cc1C 2328945978 BMXDHNVSYYDGHH-UHFFFAOYSA-N 445.567 5.389 30 10 IKEE Clc1cccc(CSc2nnc(COCc3ccccc3)n2N=Cc2ccco2)c1 2329366300 XDRWEBNDLWUXEL-UHFFFAOYSA-N 438.940 5.416 30 10 IKEE CCCCOc1ccc(C=Nn2c(CCc3cccs3)nnc2SCC)cc1OC 2329655693 JHURCWVTANBYQZ-UHFFFAOYSA-N 444.626 5.307 30 10 IKEE CC(C)c1ccc(C=Nn2c(COc3ccccc3)nnc2SCc2ccccc2)cc1 2329918741 JUTZWDJXQDRSCN-UHFFFAOYSA-N 442.588 6.155 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3Cl)n2N=Cc2ccccn2)cc1 2330002135 FHUXXCKXVILASD-UHFFFAOYSA-N 433.968 5.400 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)CCOc3ccccc3)c(Cl)c2)cc1 2330747635 WJSAPHRAHOJMSG-UHFFFAOYSA-N 434.919 6.173 30 10 IKEE CCCCC(=O)Oc1c(Br)cc(C=CC(=O)c2cccc(OC)c2)cc1OC 2330794481 ANKNAHNSYVNEDP-UHFFFAOYSA-N 447.325 5.458 30 10 IKEE CC(C)(C)Cc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1cccc(O)c1 2330860354 WWWFHMMTSQPDFY-UHFFFAOYSA-N 449.407 6.054 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1cccnc1 2330874214 SEBVMYPNFISRCG-UHFFFAOYSA-N 434.396 5.743 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2c(F)cccc2Cl)cc1)c1ccc([N+](=O)[O-])cc1 2331018441 TYOSIPMJSCHMQO-UHFFFAOYSA-N 425.799 5.503 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(SCc2ccc(F)cc2)nnc1C1CCCC1 2331033140 POOITGUZJPANKK-UHFFFAOYSA-N 438.572 6.037 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccs3)c(Br)c2)cc1 2331271305 HRITUXRONYJPOL-UHFFFAOYSA-N 427.319 5.934 30 10 IKEE CCCCc1nnc(SCC(=O)OCC(C)C)n1N=Cc1ccc(Cl)c(Cl)c1 2331348428 AQPGTCHUNDCICM-UHFFFAOYSA-N 443.400 5.101 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3OC)cc2)c1 2331351796 ZSWMQSVQUYQLTR-UHFFFAOYSA-N 446.499 5.065 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3Cl)c(Cl)c2)cc1F 2331453792 KSEAIWCJWBAMCB-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc3ccccc23)cc(Cl)c1OC(=O)c1ccco1 2331474797 KYSFTELMJLLSKU-UHFFFAOYSA-N 446.886 6.600 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H]3CCCO3)cc2)cc1 2331541659 WEWDWFUTTAHWKD-AREMUKBSSA-N 436.548 6.016 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2C(C)C)cc1 2331685086 BQYAHUCLNCBNEV-UHFFFAOYSA-N 440.588 6.284 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C(C)(C)C)ccc3C)cc2)cc1C 2331786990 PJBWPBNVDSRISX-UHFFFAOYSA-N 426.556 7.025 30 10 IKEE CC1(C)COC[C@]1(C#N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2336106433 RWAOAYCAJZTYQA-XTEPFMGCSA-N 443.543 5.444 30 10 IKEE CC1(C)OB(/C=C/c2ccc(N[C@@H]3C[C@@H]4C[C@@H](OCc5ccccc5)C[C@H]43)nc2)OC1(C)C 2365063292 XFXYPNYSXUYUEV-XYAWGBBNSA-N 446.400 5.522 30 10 IKEE C=CCc1ccccc1OCCn1cccc1/C=C1\N=C(c2ccc(Cl)cc2)OC1=O 1120901 QAAFDBZEQKJOJV-XLNRJJMWSA-N 432.907 5.294 30 10 IKEE O=C1c2ccccc2N[C@@H](c2cccc3cccnc23)N1N=Cc1cccc2cccnc12 2098450 WPVWBYOJTFBRAC-AREMUKBSSA-N 429.483 5.384 30 10 IKEE CC1(C)CC(=O)C2=C(C1)c1ccc3ccccc3c1N[C@H]2c1ccc(Br)cc1 3084296 IUXBEHKJJCLTEE-QHCPKHFHSA-N 432.361 6.912 30 10 IKEE O=C1/C(=C\c2ccc(-c3ccc(F)cc3)o2)S/C(=N/c2ccccc2)N1c1ccccc1 9296720 DWAQYJZMXFBFCW-NCBOYLFCSA-N 440.499 6.894 30 10 IKEE Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)c3ccc(-n4cccc4)cc3)cc(C)c2c1 12241078 MYTNKOIYGABLLE-UHFFFAOYSA-N 446.514 5.260 30 10 IKEE COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cccc(Cl)c1 20881523 JMMRKAYXNUNJHJ-MRDQGFSESA-N 430.935 6.328 30 10 IKEE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(F)cc1)C/C2=N\OC(=O)c1ccc(Cl)cc1 33960673 DSRHADOWLCOOCB-VNLZXBPESA-N 442.918 5.847 30 10 IKEE CC(C)[C@@H](C)N(Cc1ccc(C#N)cc1)Cc1cccn1Cc1ccc(C(F)(F)F)cc1 35844679 SNMPSQJFZMZZTG-HXUWFJFHSA-N 439.525 6.474 30 10 IKEE C=CCC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)CC1CC1 36316084 BDQCZTXWFXITCJ-XMMPIXPASA-N 445.607 5.727 30 10 IKEE Cc1ccc(Cn2c(O)c(C(=O)C(c3ccccc3)c3ccccc3)c(C)c(C#N)c2=O)cc1 38624446 RPIGGDMUFRVGOE-UHFFFAOYSA-N 448.522 5.106 30 10 IKEE Cc1cc(C)c2c(c1)c(C)cc1nnc(S[C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)n12 40170768 ALIMTBAUJSORTG-INIZCTEOSA-N 433.537 5.009 30 10 IKEE COc1ccccc1-c1c(C#N)c(SCc2ccccc2Cl)nc2c1CN(C)CC2 40569991 VBULKFZBCAQZET-UHFFFAOYSA-N 435.980 5.562 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2sc(=S)c3c(c2C#N)CC[C@H](C)C3)c1 41013881 FNEQNEHCXOUBQI-HNNXBMFYSA-N 437.634 6.564 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCc4c(F)c(F)c(F)c(F)c4F)cc(C)c3C2=O)c1 41436099 LWHYSQYJFVVTAX-IUXPMGMMSA-N 446.371 6.194 30 10 IKEE O=[N+]([O-])c1ccc(/C=N/c2ccc3nc(SCc4nc5ccccc5[nH]4)sc3c2)cc1 59387258 QLLCDNJZLVQNJD-FSJBWODESA-N 445.529 6.124 30 10 IKEE O=C1C[C@H](S/C(=N/c2ccccc2)NCc2ccccc2)C(=O)N1c1ccccc1Cl 59446247 GPTVGOBDDNIICU-NRFANRHFSA-N 449.963 5.183 30 10 IKEE CCCCCCCCCCCCCCCCO[P@@](=O)(O)OCCNC1CCCCC1 100034386 NFKJJOZTQRCMLL-UHFFFAOYSA-N 447.641 7.524 30 10 IKEE CCCCCCCOc1cccc([C@]2(C)Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)c1 100141032 ZXMNCYFTAAUZDW-WNCULLNHSA-N 436.596 5.955 30 10 IKEE COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)c2ccccc12 100353111 DIRWEOIETCYYAY-AJGXWLHTSA-N 442.584 6.785 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(Nc2ncccc2C)c1N 101531442 ZLPBPPNEYIKPJP-UHFFFAOYSA-N 440.680 7.399 30 10 IKEE CCCCCCCCn1c([C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)nc2ccccc21 102105818 WAMVEIJVMAICEI-LJQANCHMSA-N 433.552 5.646 30 10 IKEE N#C[C@H](Nc1ccccc1Br)c1ncc(Br)cc1Br 135311220 BNRFZKKYDCCFJB-LBPRGKRZSA-N 445.940 5.046 30 10 IKEE COc1cc(/C=N\n2c(SC)nnc2C(C)C)ccc1OCc1cccc(Cl)c1 169915873 UJTPGQDNAJFXNQ-FMCGGJTJSA-N 430.961 5.247 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2cccc(Cl)c2)c1 169970135 IMBXYFPDDBGYAE-NRFANRHFSA-N 448.862 5.340 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1cccs1)c1ccc(Cl)cc1 169983920 VOMWZTPQXCZIKK-GOSISDBHSA-N 431.847 5.463 30 10 IKEE CCCCCCCCCCN1C(=O)C(Sc2ccccc2)=C(c2ccc(F)cc2)C1=O 169985780 BHNUYDHKRBJXAY-UHFFFAOYSA-N 439.596 6.839 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]2c2cccnc2)cc1C 170009083 HIWIQBVYIABFDR-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2c[nH]c3ccccc23)cc1 170074761 HILUKLJMCMWSNG-DEOSSOPVSA-N 438.483 5.219 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1c[nH]c2ccccc12)c1ccc2ccccc2c1 170076822 GBBDLQIHODLGPF-VWLOTQADSA-N 448.478 5.693 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@@H]1c1ccco1)c1cccc2ccccc12 170092546 PIMCNWAPXUWDNC-JOCHJYFZSA-N 447.849 6.008 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2cccs2)c1 170158394 NSPODZOKYQLABZ-HXUWFJFHSA-N 434.473 5.056 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@H]2c2ccccn2)cc1C 170171026 RRQKKURBUFEPCU-DEOSSOPVSA-N 442.515 5.134 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccccn2)c1 170175397 LCXANHLXJOPZRB-XMMPIXPASA-N 442.515 5.270 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2cccnc2)c1 170188789 RHAYQRQSNFOUHR-QFIPXVFZSA-N 448.906 5.305 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(Cl)c3)[C@@H]2c2ccncc2)cc1 170201152 HUTVUIPOJRCVNG-QFIPXVFZSA-N 448.906 5.089 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC(C)C)cc3)[C@H]2c2ccccc2)c1 170224079 GDVANAZUBUMKMO-RUZDIDTESA-N 441.527 5.813 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2ccccc2)cc1 170227482 RTJSZGLYNLCQMZ-DEOSSOPVSA-N 443.499 5.267 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@@H]1c1ccc(Cl)cc1 170236048 VSAWBXOPBBBKAR-IBGZPJMESA-N 434.319 5.380 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(Cl)cc1 170236672 CTQVYRUNHQUQCU-HSZRJFAPSA-N 437.967 5.987 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(F)cc1)c1ccc2ccccc2c1 170241205 VVFRIYLDSAJMRG-QHCPKHFHSA-N 427.431 5.350 30 10 IKEE COCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1ccc(C(C)C)cc1 170244521 KQGZOGRZJYUOLE-XMMPIXPASA-N 449.591 5.641 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1F)c1ccc2ccccc2c1 170250609 QUTUVRMYVNBMLA-HSZRJFAPSA-N 427.431 5.350 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2C)cc1C(C)(C)C 170278300 GVZNYVLIYGENDG-XMMPIXPASA-N 447.575 5.822 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OCC)c3)[C@H]2c2ccco2)c1 170278969 FYHPMCVABZGOCC-QHCPKHFHSA-N 447.487 5.250 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)c(C)c3)[C@@H]2c2ccco2)cc1 170285391 ZFHURSQXHRSKAJ-QHCPKHFHSA-N 447.487 5.168 30 10 IKEE CCOc1cc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(CC)cc2)ccc1OC 170439749 JKJYBHQRFAULEU-QHCPKHFHSA-N 447.487 5.032 30 10 IKEE N#Cc1ccc(Oc2ccc(Br)cc2Br)c(F)c1Br 231849997 FLPWFVFTMADGTN-UHFFFAOYSA-N 449.899 5.777 30 10 IKEE CC(C)(CSc1c(F)c(F)cc(F)c1F)C(=O)NCc1ccccc1C(F)(F)F 248172247 SUXWTNRSVWYKMA-UHFFFAOYSA-N 439.396 5.697 30 10 IKEE Cc1cccc(N2C(=O)/C(=C3\Sc4ccccc4N3C)SC2=Nc2ccccc2)c1 254344205 UQQFEPJXAYJMTO-CSFSZXLXSA-N 429.570 6.174 30 10 IKEE CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4CC(=O)/C(=C/O)C[C@]4(C)[C@@H]3CC[C@]21C 254522185 UXGWFWJQNSRBBQ-RGOMGVDJSA-N 426.685 7.895 30 10 IKEE 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@H]3CC[C@@]21C 257460768 KAIVGEVOBNIWLR-ZMSRHHKVSA-N 428.657 5.705 30 10 IKEE endogenous,in-man C=C([C@H](NCCC)c1cc(I)ccc1Br)C(F)(F)F 388464168 CUXLNSPOMYORNI-LBPRGKRZSA-N 448.064 5.213 30 10 IKEE CCOc1cc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2ccc(C#N)cc2)ccc1OC 526487928 BILVIQKZMOFKES-QFIPXVFZSA-N 432.501 5.084 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1cc(Cl)c(O)c(OC)c1 526805750 RHZQEFJLTPTSIR-CFRMEGHHSA-N 444.988 5.471 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1ccc(OC(C)=O)cc1 526814622 MYLRZJAVQIHZPG-KSEXSDGBSA-N 449.363 5.247 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1ccc(C(C)C)cc1 526824244 ROXQOBFPHHDKCH-MXAYSNPKSA-N 447.435 6.835 30 10 IKEE CC(C)(C)c1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2cccc(Cl)c2)cc1 586222560 DRYKLOBUHRZUPR-UHFFFAOYSA-N 438.980 5.905 30 10 IKEE CCCN1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Br)c2)CC1 698495179 BRFJPIPOYSWOMB-NRFANRHFSA-N 436.394 5.349 30 10 IKEE C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@]43C)[C@@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)C2=O 1076011128 CMCWTYNIVZMUIH-JLQGGOJASA-N 430.554 7.701 30 10 IKEE Cc1ccc(NS(=O)(=O)c2ccc(N=Cc3c(Cl)cccc3Cl)cc2)c(C)c1 1084290534 MCZZMECRDWVOBG-UHFFFAOYSA-N 433.360 6.162 30 10 IKEE Cc1c(N=Nc2ccc(N=Nc3ccccc3)cc2)c(O)n(Cc2ccccc2)c(=O)c1C#N 1772741155 WYUGHMYIWPFPHI-UHFFFAOYSA-N 448.486 6.613 30 10 IKEE Cc1cccc(NC(=S)N/N=C\c2cn(-c3ccccc3F)nc2-c2ccccc2)c1 1857811148 ZRMCQNSERCQYRM-YSMPRRRNSA-N 429.524 5.307 30 10 IKEE N#Cc1cccc(C(=O)Oc2cccc3c(NC(=O)Cc4c(F)cccc4F)cccc23)c1 1858931755 YVGGXTFOGNLVSS-UHFFFAOYSA-N 442.421 5.390 30 10 IKEE O=C(CCCOc1ccc(Cl)cc1Cl)ON=C1CCN(Cc2ccccc2)CC1 1860468910 XOIMIYILUIEOEG-UHFFFAOYSA-N 435.351 5.348 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCC)NC(=O)c1ccc(OCCCCCC)cc1 1861524538 USKGSXUBEQZTNX-XMMPIXPASA-N 432.649 6.021 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2Cl)cc1 1862391809 ISSVDKKZIRKKFO-QHCPKHFHSA-N 437.967 6.204 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2ccc(N(CC)CC)cc2)cc1 1862394084 IDLRKWPLQGTUSD-RUZDIDTESA-N 448.607 5.864 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(F)cc2F)=C(O)C(=O)N1Cc1ccccc1F 1862411829 PTXCCPOBHYKAHP-QFIPXVFZSA-N 437.417 5.191 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@H]2c2ccc(O)cc2)c1 1862430344 IMXRFJQRQDANSS-HSZRJFAPSA-N 447.918 5.441 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2cccc(O)c2)c1 1862441898 FADWJZXOGDTEBD-JOCHJYFZSA-N 433.891 5.133 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862448010 DAQFARPCIIZBLL-FQEVSTJZSA-N 442.899 5.407 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc(F)cc1)c1c(F)cc(F)cc1F 1862457578 SKOYKFYABNELKX-NRFANRHFSA-N 441.380 5.022 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCc2cccs2)c1 1862479155 ZTVWLCHSBNNLMN-QHCPKHFHSA-N 447.556 5.276 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@@H]2c2cccc3ccccc23)cc1 1862480594 KFXUZBJRIQQMMW-RUZDIDTESA-N 442.559 5.068 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2c(Cl)cccc2Cl)cc1 1862481316 CDTQMOPKIVSZFF-QRWLVFNGSA-N 446.330 5.059 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccccc1Cl 1862526751 IXPQHDVAHLZPLN-XIKOKIGWSA-N 448.744 5.479 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(CC)cc2)cc1 1862530001 MDDWSGUUYJYVPF-VWLOTQADSA-N 443.518 5.729 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2cccc(F)c2)cc1 1862530737 WYOSPSDRMIJGAC-QHCPKHFHSA-N 449.909 5.820 30 10 IKEE CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2[C@@H](C)CC)ccc1O 1862550334 GFPKOWIWEJKXGS-FYSMJZIKSA-N 449.547 5.047 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2ccc(Cl)cc2)c1 1862591954 RQTOVKJMJHJBMO-JOCHJYFZSA-N 433.891 5.133 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C2CCCC2)cc1 1862599539 IFXUATCELLUVDL-XMMPIXPASA-N 449.547 5.482 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCCCN(C)C)cc1 1862648639 GZQICIHIEAEYLD-VWLOTQADSA-N 442.559 5.068 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(C)cc1 1862648769 JMTSQCVXDQSKAI-VWLOTQADSA-N 427.544 6.307 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccccc1Cl 1862661811 SGMGGYCPLHCGQG-QFIPXVFZSA-N 425.956 6.232 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1c(F)cccc1Cl 1862667218 VVYJQBJKVFELQV-JOCHJYFZSA-N 443.946 6.227 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1Cl 1862675480 LVLZXCZSZSEYHU-XWRIVVANSA-N 427.903 5.636 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccccc2Cl)c1 1862700466 GYLAWCMIIYTBRU-HJPURHCSSA-N 447.918 5.688 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)cc1 1862746873 KISWLWMFZOICDZ-BSLALVQMSA-N 434.492 5.060 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(Cl)cc3)C2=O)c1 1862791586 QUULIFWOPURKIO-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3cccs3)C2=O)cc1 1863479108 VZEFDWPQRHKQAM-MRXNPFEDSA-N 427.529 5.135 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2cccc(C)c2)=C(c2cccs2)C1=O 1863808910 WOCJQPJOZGTDCR-UHFFFAOYSA-N 438.637 6.067 30 10 IKEE C=CCOc1ccccc1OCC(=O)N1CCc2ccccc2[C@H]1c1cccc(Cl)c1 1868119745 XDASTMRQDCSRHT-AREMUKBSSA-N 433.935 5.458 30 10 IKEE CCCN(CCCN(C)C)c1cc(Nc2ccc(C#N)cc2)nc(-c2ccc(C)cc2)n1 1868329690 GVTQBJFFOGTEAE-UHFFFAOYSA-N 428.584 5.235 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC[C@H]2c2ccc(C(F)(F)F)cc2)nc(C(C)C)n1 1869104999 BEMXULBIJJHRHO-FQEVSTJZSA-N 430.518 6.139 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(Cl)cc2Cl)cn1CCC(C)C 1870347689 OQDLNBAQPUQNEE-UHFFFAOYSA-N 449.422 5.954 30 10 IKEE C=CCn1cc(OCc2c(C)cc(C)cc2C)c(=O)cc1CNc1cccc(C(C)(C)C)c1 1870802706 GPGOINFSUFVTHQ-UHFFFAOYSA-N 444.619 6.448 30 10 IKEE C=CCOc1cn(CCc2ccc(F)cc2)c(CNc2cccc(Cl)c2C)cc1=O 1870809617 MNCVONUOYMVMKG-UHFFFAOYSA-N 426.919 5.369 30 10 IKEE CCCCCCCOc1cn(CCCCCO)c(CNc2cccc(N(C)C)c2)cc1=O 1870837898 DECRXFNCCKTVKG-UHFFFAOYSA-N 443.632 5.038 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCC)c(=O)cc1CNc1ccccc1CC 1871147955 NJZCESGOBFLOOM-UHFFFAOYSA-N 442.600 5.325 30 10 IKEE CCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(Cl)cc1 1871254530 ZZOFRASPMMMKKG-UHFFFAOYSA-N 435.955 5.755 30 10 IKEE Cc1c(OC(=O)Cc2ccc(F)cc2)ccc2c1O/C(=C\c1cn(C)c3ccccc13)C2=O 1871371730 FTYOUAHVGIMVSC-OYKKKHCWSA-N 441.458 5.390 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4cc(C)ccc4C)ccc3C2=O)c1 1871411247 HEZYLRCAZZCPEW-ILRHRSLTSA-N 427.500 5.634 30 10 IKEE CCOC(=O)CCOc1cc(C)c2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 1871412909 LCACFEGWYRBXPE-JLPGSUDCSA-N 428.484 5.610 30 10 IKEE COc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4cccc(C)c4C)ccc3C2=O)cc1 1871413438 GSQOQXSLYZKMSL-DBXOKZBGSA-N 443.499 5.334 30 10 IKEE Cc1ccc(NC(=O)CCOc2cc(C)c3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871431998 XWWYHTMZVVHEKJ-IWIPYMOSSA-N 427.500 5.636 30 10 IKEE Cc1ccc(CCOc2ccc3c(c2)O/C(=C\c2ccc(-c4ccccc4)cc2)C3=O)cc1 1871437552 HZWGFZMLHKWSBW-CEUNXORHSA-N 432.519 6.900 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OCc4ccc(C(=O)OC)o4)ccc3C2=O)c2ccccc21 1871438844 UXRBXECIBAKWOO-MSXFZWOLSA-N 443.455 5.236 30 10 IKEE C=CCN([C@H](C(=O)Nc1cccc(Cl)c1C)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872436133 BHSODCJUKFFOAU-JTSKRJEESA-N 449.016 5.187 30 10 IKEE C=CCc1ccccc1OCc1ccc(C(=O)Nc2ccc(C(=O)OCC(C)C)cc2)cc1 1872859540 VRPZVBAZMVXJNR-UHFFFAOYSA-N 443.543 6.059 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCN(CC)CC)=C(c2ccccc2C)C1=O 1873103931 HKNJVNAVORICJA-UHFFFAOYSA-N 441.660 5.147 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(OC(C)C)cc2)=C(c2ccccc2C)C1=O 1873305605 MMJWNYKEODZERF-UHFFFAOYSA-N 448.607 6.335 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(CC)cc2)cc2c(NCc3cccc(C)c3)ncnc21 1873617551 VOFMWVBNONIZLB-UHFFFAOYSA-N 425.536 5.353 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccc(C)cc3)n2/N=C/c2cccnc2)CC1 1874285843 BGFNRBRTYWRAEG-MTDXEUNCSA-N 447.652 6.620 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1cccc2ccccc12 1874342156 BOQVNWBJCOOLNQ-CVKSISIWSA-N 432.980 6.226 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2cc(C)ccc2O)cc1 1874349533 QQTKMEAVPXZRLZ-WGOQTCKBSA-N 444.560 5.066 30 10 IKEE COc1cccc(/C=N/n2c(COc3ccccc3)nnc2SCc2cccc(F)c2)c1 1874383283 IOQNOUCRTNOUIU-CVKSISIWSA-N 448.523 5.179 30 10 IKEE Cc1ccc(CSc2nnc([C@H](C)c3ccccc3)n2/N=C/c2sccc2C)cc1 1874392710 SAXACJHHDAHSFA-KWXFCVSUSA-N 432.618 6.283 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(Cc3cccs3)n2/N=C/c2ccccc2)cc1 1874411784 LWGXHJMAUOTMJF-HYARGMPZSA-N 435.534 5.013 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2cccs2)c(OC)c1 1874422685 ZEHLMBMMYJYTEH-OEAKJJBVSA-N 436.562 5.198 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc(Cl)cc1 1874439464 CDNRHCYAZNQROL-ZMOGYAJESA-N 433.408 6.348 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2[C@@H]2CCCO2)cc1 1874450820 KDQPVLGBVHXPNW-PGLVWIQMSA-N 442.972 5.356 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(F)(F)F)n2/N=C/c2cc(Cl)ccc2O)c1 1874461660 ZCAUAXNXKIJNDI-PGGKNCGUSA-N 440.878 5.447 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1/N=C/c1cccc(C)c1 1874480755 KFLDVBGILVYPQA-MFKUBSTISA-N 435.597 5.159 30 10 IKEE Cc1ccc(C)c(COc2ccc3ccccc3c2/C=C/C(=O)c2ccc3c(c2)CCCC3)c1 1874571710 BJGWXVBEMIHCIW-WUKNDPDISA-N 446.590 7.811 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F 1874576409 LSVCXOYHOMBCJB-YCRREMRBSA-N 429.806 6.002 30 10 IKEE Cc1cccc(COc2ccc(/C=C/C(=O)c3ccc(-c4ccccc4)cc3)cc2Cl)c1 1874601491 NRIQFXYOKQPJES-MHWRWJLKSA-N 438.954 7.791 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 1874606480 QFPQFQOKDYZVTF-CXUHLZMHSA-N 439.382 7.811 30 10 IKEE CCCOc1c(Br)cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC 1874610141 CLOYPNJRCMJJOJ-BJMVGYQFSA-N 434.286 5.441 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(OC)c1OCc1ccccc1C 1874621273 QVKYEMRHBQCHFO-CSKARUKUSA-N 432.472 5.216 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OCC(=O)NC1CCCCC1 1874624068 KOEQTLCPLUJSIP-MHWRWJLKSA-N 449.591 5.933 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)c(OC)c1 1874632382 GJDBOTDOTQPDIZ-VZUCSPMQSA-N 437.423 5.226 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccccc3C)c2)cc1OC 1874694064 JQZOGQLJBMRVQB-FMIVXFBMSA-N 432.472 5.136 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 1874696172 LTRGQXWQDMPSGW-DTQAZKPQSA-N 429.472 6.053 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3sccc3C)c2)cc1 1874701772 JOYHQJGLWUVMKW-VZUCSPMQSA-N 436.529 5.969 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)c2)cc1C 1874714238 LGKZHNGAYZWZNV-SZLQQSRFSA-N 430.931 6.562 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(C)cc2C)CSc2nnc(COC)n21 1874875577 QGMSVBZFBVRSMG-FQEVSTJZSA-N 430.618 5.104 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OC(=O)CC(C)(C)C 1875096928 LJSMNSAVLFFGBT-JLHYYAGUSA-N 436.548 5.820 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)cc3)c([N+](=O)[O-])c2)cc1 1875101137 ORFIYOJNKPZIHK-GXDHUFHOSA-N 429.472 5.510 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2[N+](=O)[O-])cc1 1875117154 ASLHRHXHDDVMTN-WLRTZDKTSA-N 446.415 5.181 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OCC 1875122053 PHZRYIHXILPGIX-JQIJEIRASA-N 442.983 7.291 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)c1cncc(C)c1 1875122962 ZZCCFPQPMSDSCM-RMKNXTFCSA-N 449.453 5.521 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)CCCSC 1875132355 PZYJZBGNLSWUNU-WEVVVXLNSA-N 439.360 5.947 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2cc(C)ccc2OC)cc1OC 1875143528 DLZWVBJNKRGPGN-VAWYXSNFSA-N 444.955 6.438 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)COc3cccc(C)c3C)cc2)c1 1875145743 QQWAMNZNFLIKPN-GXDHUFHOSA-N 446.499 5.201 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cccc4ccccc34)cc2)cc1F 1875152212 JKNWRDISDKCSOG-RVDMUPIBSA-N 440.470 6.032 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)c2cccc(C)c2)cc1 1875161626 ZFOUCJHZRGTVRR-RVDMUPIBSA-N 428.528 6.416 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)C(F)(F)F 1875183841 VVVVSVQTLQEIGY-CMDGGOBGSA-N 432.438 5.713 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc(Cl)c1OC(=O)C1CC1 1875193550 OZFLQKKGDRJCEL-XBXARRHUSA-N 435.303 5.612 30 10 IKEE C=CC[C@H](C)[C@H](NCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875650986 OOORZVGASTVTLA-ZRKWFTTGSA-N 445.603 6.068 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CCC[C@]2(C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)C1 1918313969 JSLCBRCTWJLPKE-XMMPIXPASA-N 433.593 5.240 30 10 IKEE CC(C)N(C(=O)OC(C)(C)C)[C@H](C#N)c1c(Br)cccc1Br 1931397654 JSVLWWTUEOTMOW-CYBMUJFWSA-N 432.156 5.422 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc([C@@](C)(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)c1 1940970391 IRKOOEAXORLGGN-HXUWFJFHSA-N 443.466 5.572 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCC[C@H]2NC(=O)OC(C)(C)C)c1 1943892881 IWXYDBRZMDAEAV-DVECYGJZSA-N 429.561 5.466 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 1950026845 QLVKDSPLPUCBHH-YJLYGGOZSA-N 427.545 5.028 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@@]1(C#N)CCCCN(Cc2ccccc2)C1 2003428387 OZRGMZTVDIAXEZ-RUZDIDTESA-N 439.987 6.030 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1(C)C 2013405071 GDXDAWJKVWYNBF-HXOBKFHXSA-N 433.524 5.153 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1cnn(CC)c1NC(=O)OC(C)(C)C 2015157860 HKOAJDVXLVEAKM-NRFANRHFSA-N 428.577 5.064 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1[C@@H](C)CCN(C(=O)OC(C)(C)C)[C@H]1C 2022685509 DNDCAPVXWAUZNN-SJROBZAFSA-N 430.633 5.409 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@]2(CC[C@]2(C#N)N(C(=O)OC(C)(C)C)c2ccccc2)C1 2066137753 DKZPHIRVPCUSDN-JWQCQUIFSA-N 441.572 5.502 30 10 IKEE CC(C)(C)[C@@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)(F)F)c(CN)c1Cl 2079977337 KWJRMVZNFDQTSW-CYBMUJFWSA-N 431.783 5.807 30 10 IKEE CC(C)Oc1ccc([C@H](n2nc(C(C)(C)C)c(C#N)c2Br)C(C)(C)C)cc1 2080058450 YRWRRWPCCDPNPO-IBGZPJMESA-N 432.406 6.237 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(C)c1Br)NCCC 2087876434 DVIQIVINRUPZMU-QZTJIDSGSA-N 425.411 5.138 30 10 IKEE CC(C)c1ncc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)s1 2114344436 PUYQWIKGZHZUIR-HNNXBMFYSA-N 436.375 6.035 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)Cc2ccc(Cl)c(Br)c2F)C1 2126626759 AGEQYICNFYJVJJ-UHFFFAOYSA-N 446.744 5.214 30 10 IKEE Cc1c(Cl)cc(CN2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)cc1Br 2132674772 CJXHZRHXCSUOMD-UHFFFAOYSA-N 426.591 5.174 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H](C2(Nc3ccc(C#N)c(Br)c3F)CC2)C1 2162336236 VFWBMDXZQKWAMC-AWEZNQCLSA-N 438.341 5.051 30 10 IKEE C[C@@H]1[C@@H](Nc2cc(Br)c(C#N)cc2F)C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2162386504 CLQVLCODHXHSJW-OUJAOWMXSA-N 438.341 5.048 30 10 IKEE CC(C)(C)OC(=O)NC1(c2cccc(Nc3cc(Br)cc(C#N)c3)c2)CC1 2169060816 HDWZXXMRVNFYJS-UHFFFAOYSA-N 428.330 5.578 30 10 IKEE CCCC1(NC(=O)OC(C)(C)C)CCN(c2ccc(C#N)c(Br)c2F)CC1 2174808533 PIALLMQQGOQZJS-UHFFFAOYSA-N 440.357 5.124 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)[C@@H]1C[C@@H]1C1CCCCC1 2200283085 RZOKDHOWNOZAFX-VAMGGRTRSA-N 433.390 6.299 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)C[C@H](CC(C)C)NC(=O)OC(C)(C)C 2235731374 PYYUJRHRRPDPST-MOPGFXCFSA-N 437.422 5.108 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)CN(CC(C)C)C(=O)OC(C)(C)C 2235735252 SYMKUNDUGDFVJR-IBGZPJMESA-N 437.422 5.062 30 10 IKEE C[C@@H](c1cccs1)N(Cc1ccccc1)c1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2256030164 UEFCEFPALZMSIK-SFHVURJKSA-N 434.414 5.397 30 10 IKEE CCCCCCCCCC[C@H](N)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2256693905 IZIZUDVJDDNTMG-DEOSSOPVSA-N 446.676 6.298 30 10 IKEE C=CCCC1([C@H](NC)c2c(C)sc(C)c2Br)CN(C(=O)OC(C)(C)C)C1 2266303563 VFODSZQCADQESP-QGZVFWFLSA-N 443.451 5.591 30 10 IKEE C=CCC1(COc2ncc(Cl)cc2Br)CCN(C(=O)OC(C)(C)C)CC1 2272151572 WBVBEVJWBVUEPF-UHFFFAOYSA-N 445.785 5.470 30 10 IKEE N[C@@H](C#Cc1ccc(Br)cc1)c1c(Br)cccc1Br 2278765634 UDNBPMSOMHHQMY-AWEZNQCLSA-N 443.964 5.026 30 10 IKEE C[C@](O)(c1cc(Br)c(Br)s1)C1(C#N)C[C@@H]2CC[C@H](C1)S2 2281196480 ZFCXOFBTABDTEC-BTHZHONQSA-N 437.222 5.049 30 10 IKEE CN[C@@H](CC=CC#CC(C)(C)C)c1ccc(Br)cc1I 2284164810 OVFJINLRVDTIGK-INIZCTEOSA-N 446.170 5.310 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@H](CC(C)C)NC(=O)OC(C)(C)C 2296218555 FRIRYOBESRTCOF-PMACEKPBSA-N 437.422 5.108 30 10 IKEE C=CCc1cc(C=C2SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc(OC)c1O 2297366786 LCPKKKLPZYJXGV-UHFFFAOYSA-N 447.965 5.197 30 10 IKEE COc1ccc(C=C2Oc3cc(OCc4c(Cl)cccc4Cl)ccc3C2=O)cc1 2314437955 BXJRBTCTAITXAW-UHFFFAOYSA-N 427.283 6.197 30 10 IKEE COc1ccc(N=C2NC(=O)SC2=Cc2ccc(-c3nc4ccccc4s3)o2)cc1 2314486781 MOLAFSAJFFHEKW-UHFFFAOYSA-N 433.514 6.092 30 10 IKEE Cc1scc(C(=O)N(Cc2ccccc2)c2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2320443838 CZSYONBVCUSKHN-UHFFFAOYSA-N 433.382 5.203 30 10 IKEE Cc1c(OCc2cccc(F)c2)ccc2c1OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2321888355 NHNVNRYXFUVECV-UHFFFAOYSA-N 429.274 6.636 30 10 IKEE Cc1cc(OCc2nnc(S)n2N=Cc2ccc(Cl)cc2Cl)cc(C)c1Cl 2322234568 ZRQIWWUVGUQCHX-UHFFFAOYSA-N 441.771 5.605 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1cccc2ccccc12)c1cccc([N+](=O)[O-])c1 2322312098 MRINFVHPZUANAV-UHFFFAOYSA-N 443.886 6.877 30 10 IKEE C=CCOc1c(C=CC(=O)c2ccc3c(c2)CCCC3)cc(Br)cc1OC 2322339345 VDXKXHWBJLYUJP-UHFFFAOYSA-N 427.338 5.797 30 10 IKEE CCCCCCCCN1COc2c(cc3c(c2C)OC(=Cc2cccc(OC)c2)C3=O)C1 2322415760 NENGMBZWZSWARU-UHFFFAOYSA-N 435.564 6.132 30 10 IKEE COc1cccc(C=CC(=O)c2ccccc2Cl)c1OCC(=O)Nc1ccc(C)cc1 2322437133 RVIDHXLBPCMMAK-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(Cl)cc2)c1OCC(=O)Nc1ccc(C)c(C)c1 2322542402 RWALOPINSQTJET-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(=O)c4cc5ccccc5o4)ccc3C2=O)c1OC 2322840693 SGICJYSECRLALL-UHFFFAOYSA-N 442.423 5.285 30 10 IKEE COc1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccs2)C3=O)cc1OC 2323069311 UTQFRTIJBMAQRB-UHFFFAOYSA-N 448.496 5.309 30 10 IKEE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(=Cc1ccc(C(C)C)cc1)C2=O 2323118312 ZOWBHGPYOOWQFO-UHFFFAOYSA-N 444.483 5.419 30 10 IKEE CCc1ccc(NC(=O)COc2cc(C=CC(=O)c3ccc(C)cc3)ccc2OC)cc1 2323153473 VJNZINXPUNJATC-UHFFFAOYSA-N 429.516 5.480 30 10 IKEE Cc1cc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)ccc1[N+](=O)[O-] 2323279563 BJJBUBDHKCQOIT-UHFFFAOYSA-N 449.846 5.700 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3c(C)cccc3C)c2)c(OC)c1 2323283375 AWUIVVJHXMIXQS-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCc3cccc(F)c3)c2)cc1Cl 2323310408 GWYLIJODEWOOLQ-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE CCOc1c(OC)ccc(C=CC(=O)c2ccc(OC)c(Cl)c2)c1Br 2323310626 SQMVGYHAGMIUHV-UHFFFAOYSA-N 425.706 5.415 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OCc2c(Cl)cccc2Cl)c1 2323332293 UNYIKYQLBZOPMZ-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE Cc1cc(OC(=O)c2cccc3ccccc23)cc2c1C(=O)C(=Cc1cccc(Cl)c1)O2 2323480209 VVQMADPLCABDKM-UHFFFAOYSA-N 440.882 6.637 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OCc3cc(C)ccc3C)c([N+](=O)[O-])c2)c1 2324022813 SMVKZNDGLFSGLZ-UHFFFAOYSA-N 447.487 5.704 30 10 IKEE Cc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O 2324406274 BFZLNRIGIUNWLD-IBGZPJMESA-N 425.484 5.573 30 10 IKEE CCOc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2cccs2)C3=O)cc1 2324521780 WKFBCVWQFNYYAP-MRXNPFEDSA-N 449.528 5.477 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OCC(=O)Nc2ccccc2F)cc1 2324570999 IHGDWWLWUUVISG-UHFFFAOYSA-N 445.534 6.345 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3F)c([N+](=O)[O-])c2)cc1Cl 2324611509 XYGKVCIHUVTWJL-UHFFFAOYSA-N 441.842 5.871 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@H](C#N)C(=O)C=Cc2ccc3c(c2)OCCO3)n1 2324725677 FIUUUTBBFFDJJE-LJQANCHMSA-N 446.528 5.096 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C)cc4C)cc(C)c3C2=O)cc1 2324893362 MACWZCFSTPFTNR-UHFFFAOYSA-N 441.527 5.808 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(O)c(OC)c1 2325532359 ZYAXFNNZAANLBT-UHFFFAOYSA-N 446.576 5.663 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1cn(C)c2ccccc12 2325610388 XUBBXXBBFGFNQR-UHFFFAOYSA-N 444.391 5.814 30 10 IKEE COc1ccc(CCOc2ccc3c(c2C)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1 2325631701 KEZZHVZFUCDJRY-UHFFFAOYSA-N 428.528 6.365 30 10 IKEE COc1cc(C=CC(=O)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccccc1 2325652674 ZYBDRWACJGOFBM-UHFFFAOYSA-N 435.907 5.457 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1ccccc1Cl)C2=O)Nc1cccc(Cl)c1 2325716971 RMCZIEFYBJJDAU-UHFFFAOYSA-N 440.282 5.627 30 10 IKEE Cc1ccsc1C(=O)Oc1cccc(C=CC(=O)c2cccc(Br)c2)c1 2325720689 PTBFRFXPAQICLN-UHFFFAOYSA-N 427.319 5.934 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc3c(c2C)OC(=Cc2cccc(F)c2)C3=O)c1 2325721813 KICXTLUBOUHOIB-UHFFFAOYSA-N 431.463 5.385 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2OC)cc1OC(=O)Cc1ccc(Cl)cc1 2325722663 ACZGPGFWXMJDAW-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE CCCCCCCCC(=O)Oc1cccc(C=CC(=O)c2cc(Cl)ccc2OC)c1 2325783465 KVQNICLBFIAWQG-UHFFFAOYSA-N 428.956 6.901 30 10 IKEE CCOc1ccc(C=Nn2c(Cc3ccc(Br)cc3)nnc2SCC)cc1 2325941229 DZNDEWDRKSCLIH-UHFFFAOYSA-N 445.386 5.024 30 10 IKEE CCOc1ccc(C=Nn2cnnc2SCc2c(F)cccc2Cl)c(OCC)c1 2326567522 NKRZZMTWRVMZIP-UHFFFAOYSA-N 434.924 5.043 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1N=Cc1c(C)n(C)c2ccccc12 2326736256 BOEJOGPTLRUOHN-UHFFFAOYSA-N 435.572 5.734 30 10 IKEE C=C(C)CSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1ccccc1Cl 2327007252 NFGLNALMGQYZEA-UHFFFAOYSA-N 441.000 5.802 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1cc(Cl)ccc1O 2327208117 KXTUWULFZSMFMV-UHFFFAOYSA-N 442.972 5.117 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](C2CCC(C#N)(N(CC3CC3)C(=O)OC(C)(C)C)CC2)C1 2327973653 BWBIMHMFYYAGIO-CMAULLTDSA-N 447.620 5.343 30 10 IKEE C=C(C)CSc1nnc(COc2c(C)cccc2C)n1N=Cc1ccc(Cl)cc1 2328556655 XBKGVSXIVYKAKK-UHFFFAOYSA-N 426.973 5.678 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccc(C)c(C)c3)n2N=Cc2cccs2)c1 2328932922 DXPLKEROHMXSHQ-UHFFFAOYSA-N 446.645 6.225 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2C)n1N=Cc1ccccc1 2329476068 NBXYSDBRUKBLDG-UHFFFAOYSA-N 426.589 5.855 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(C(F)(F)F)cc1 2329566777 XYUBBFMBXRULFC-UHFFFAOYSA-N 436.890 6.168 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2F)n1N=Cc1ccccc1F 2330108688 IUSZJDVPKJLGMM-KRWDZBQOSA-N 434.515 5.883 30 10 IKEE CCSc1nnc(Cc2cccs2)n1N=Cc1ccc(OCc2ccccc2)cc1 2330367209 DSDQSZRZPMHBPS-UHFFFAOYSA-N 434.590 5.504 30 10 IKEE O=[N+]([O-])c1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2-c2ccccc2)cc1 2330640041 PMNMZPOZPOUPBV-UHFFFAOYSA-N 433.468 5.167 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(C=CC(=O)c3ccc(CC)cc3)cc2OC)CC1 2330770311 PZCCQBDXCZQSED-UHFFFAOYSA-N 448.603 7.056 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3cccc(OC)c3)cc2)cc1 2330775826 RKIIBVBUHGRZDS-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE Cc1cccc(C=Nn2c(CC(C)(C)C)nnc2SCC(=O)Nc2cccc(C)c2C)c1 2330807979 AQFMNPVHRQBRHW-UHFFFAOYSA-N 449.624 5.405 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2C2CCCC2)cc1 2331032781 FGWFCOZYXSMPGV-UHFFFAOYSA-N 438.572 6.038 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2Br)cc1 2331169165 AMNVDIRTBSOKAZ-UHFFFAOYSA-N 435.317 6.127 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(OCC)cc3)cc2)cc1 2331188460 GRHDEBUXTMSTSE-UHFFFAOYSA-N 444.527 5.918 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)COc1ccc(C)cc1C 2331234995 CFDJDXYJBBGJGG-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 2331352297 DAWNTYPDBYBFHP-UHFFFAOYSA-N 444.571 6.412 30 10 IKEE Cc1ccc(C=Nn2c(SCC(=O)Nc3cc(C)ccc3C)nnc2C(C)(C)C)cc1 2331362347 ZEFSACKTLZSZEE-UHFFFAOYSA-N 435.597 5.114 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OC(=O)C1CC1 2331417905 ZWMXOTGHUNNLJZ-UHFFFAOYSA-N 426.940 6.248 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)cc3F)cc2)cc1F 2331450799 AQWYFVCFQMKGDO-UHFFFAOYSA-N 426.390 5.157 30 10 IKEE CCCOc1ccc(C=Nn2c(CC(C)C)nnc2SCc2ccc(Cl)cc2)cc1 2331468126 AJBZVYIKLKJTAM-UHFFFAOYSA-N 443.016 6.093 30 10 IKEE Clc1ccc(C=Nn2c(SCCc3ccccc3)nnc2C2CCC2)cc1Cl 2331529147 LICMNXJZBMURER-UHFFFAOYSA-N 431.392 6.069 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(F)c3)cc2Cl)cc1 2331557019 LVUDILFFEMJXCE-UHFFFAOYSA-N 442.845 5.671 30 10 IKEE CCCCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccc(C)c(C)c2)cc1OC 2331708707 MRAWXLVSDJNNAM-UHFFFAOYSA-N 445.353 6.066 30 10 IKEE N#Cc1ccc(F)cc1CSc1cc(I)ccc1Br 2338311323 SGOXSBVRZCBMHJ-UHFFFAOYSA-N 448.098 5.357 30 10 IKEE C[C@@H](N(C)C(=O)OC(C)(C)C)C(C)(C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339604664 SJCBHGQGKWVDRT-IAOULYHDSA-N 446.397 5.139 30 10 IKEE CC(C)OCCCn1c(SCc2ccccc2C#N)nc2c(sc3ccccc32)c1=O 2961981 CEFDZCQUQAMLPU-UHFFFAOYSA-N 449.601 5.590 30 10 IKEE Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC(C)C)cc2)C3)o1 20883632 BOUDWWICOHOTDM-UZTOHYMASA-N 428.532 6.355 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2Cl)cc1)c1ccc(-c2ccccc2)cc1 34954959 AKZXMFKIBWIGSE-XDHOZWIPSA-N 438.910 7.122 30 10 IKEE O=C(/C=C/c1ccccc1)Oc1ccccc1/C=C/C(=O)c1ccc(Br)cc1 35520219 XAPJAXDEGXGYPE-DQKQXWASSA-N 433.301 5.964 30 10 IKEE N#Cc1ccc(-c2ccc(OC(=O)c3ccc(-c4nc5ccccc5s4)s3)cc2)cc1 35553736 YXQAAOMFPOSYAX-UHFFFAOYSA-N 438.533 6.783 30 10 IKEE C[C@H]1C[C@@H](C)CN(Cc2c(O)ccc3c2O/C(=C/c2ccc(Cl)cc2Cl)C3=O)C1 37857794 ASMRQDHESBTGRW-OJVPKMKXSA-N 432.347 5.793 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)c1 41013863 IJUUWCZGLUKLII-UHFFFAOYSA-N 431.605 6.779 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(F)cc1)C3=O)CN(CCc1ccc(F)cc1)CO2 41586753 HBJMIDVEZUQORW-FMCGGJTJSA-N 433.454 5.284 30 10 IKEE COc1ccccc1CN1COc2c(cc3c(c2C)O/C(=C\c2sccc2C)C3=O)C1 41588793 PVZCEZNFOHYMNS-NHDPSOOVSA-N 433.529 5.342 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OCc4ccc([N+](=O)[O-])cc4)ccc3C2=O)cc1 62957589 GDIMZIBIXLDICJ-MYYYXRDXSA-N 444.487 5.636 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)CNc1cccc(O[C@H](C)CC)c1 100092978 CEHJFBISWWUMSV-RUZDIDTESA-N 446.720 7.873 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)S/C1=N/c1nccs1 101084374 NODGGHOKPKQSPH-REFVHMSQSA-N 446.351 5.399 30 10 IKEE O=C(/C=C\c1ccccc1)Oc1ccc2c(c1)O/C(=C/c1cccc(Br)c1)C2=O 103022626 NXHQZHWFMNLASK-VORDKCKHSA-N 447.284 5.684 30 10 IKEE CCCN1C(=S)N[C@H](c2cc(Cl)c(OC)c(OC)c2)C(C(=O)c2ccccc2)=C1C 169928990 XTNTVDDLHTZQMY-HXUWFJFHSA-N 444.984 5.155 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccccc2C)c1 169936926 OFMIILKIBKASAX-XMMPIXPASA-N 427.500 5.403 30 10 IKEE CCCCCCCCCOc1ccc(C[C@@H]2[C@H](O)C3CCN2CC3)cc1Br 169941655 CYQWCEZRXBQHRD-FYYLOGMGSA-N 438.450 5.576 30 10 IKEE CN(C)c1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCCC2)cc1 169956937 QFDQJKBMHSSOOJ-JOCHJYFZSA-N 438.955 5.317 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2cccs2)ccc1F 169989512 MNGZTRCAGFIEKD-NRFANRHFSA-N 439.483 5.156 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 170062977 IWXMUNJNHZIRGL-QHCPKHFHSA-N 435.882 5.581 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccc(C)o2)c1 170099558 BXGZGRGCTSNUGN-OAQYLSRUSA-N 437.879 5.423 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2sccc2C)cc1 170106919 DDOVNODHKVBDDZ-HXUWFJFHSA-N 437.948 6.055 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@@H]1c1cccc(OC)c1 170120326 FNWUFHPQMOOVTP-QHCPKHFHSA-N 437.536 5.108 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(O)cc1)c1cc2cc(Cl)ccc2o1 170134478 IZLNSHGQDMXKDT-NRFANRHFSA-N 449.846 5.163 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cccc(C)c1 170148756 KVUZIHWSNWRQHH-OAQYLSRUSA-N 439.939 5.486 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@H]1c1cccs1 170164884 NREITYADVZAJCB-QGZVFWFLSA-N 434.355 5.197 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccs2)cc1C(C)C 170166450 PHDZGPAGIYIBFN-JOCHJYFZSA-N 439.577 5.791 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@H]2c2ccccn2)c1 170170802 KMHHNGQBBILPBY-DEOSSOPVSA-N 442.515 5.216 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1cccc2ccccc12 170221007 YAGSTMQOZFGLNQ-XMMPIXPASA-N 429.516 5.615 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2)c1 170221653 WTGSEXIUUSDFMH-JOCHJYFZSA-N 433.529 5.315 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1)c1cccc(Cl)c1 170238562 FDWPJGNSRSZKOG-HXUWFJFHSA-N 425.818 5.401 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@@H]1c1ccc(C(C)C)cc1 170245330 AAWBPKQEGYKMSY-DEOSSOPVSA-N 433.548 5.513 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2F)cc1C 170249254 YXEZCBBGGXWKNX-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2F)ccc1Cl 170253422 NAEOKDDJAGIGAY-HXUWFJFHSA-N 429.875 5.009 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1cccc(O)c1 170259775 QQHPVFYWTGYNKI-DEOSSOPVSA-N 443.499 5.271 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(CC)cc1 170268294 ZSAWCLMXWVFAJC-NRFANRHFSA-N 446.374 6.324 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@H]1c1cn(C)c2ccccc12 170269551 INZPQDIQUVHHHN-XMMPIXPASA-N 446.547 5.299 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccccc2C)c1 170272702 BEYIZIQCLOUDOA-XMMPIXPASA-N 438.483 5.048 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1ccco1)c1ccc2ccccc2c1 170290569 RIKGIKRSKXNUOA-QFIPXVFZSA-N 431.394 5.494 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc(OCC(C)C)c3)=C(O)C(=O)N2c2ccc(F)cc2)o1 170299587 VVWNNZZWDPGUGM-HSZRJFAPSA-N 449.478 5.545 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccc(C)o2)c1 170300031 OSSYQOUHVGJLGF-VWLOTQADSA-N 437.495 6.141 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccc(Cl)cc2)o1 170303117 VORRNJDKNKPMSN-NRFANRHFSA-N 433.847 5.771 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@@H]1c1sccc1C 170319425 OVILDUBRFSJAJJ-HXUWFJFHSA-N 427.566 5.532 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)c1 170332227 DEEKIRULJHEMOY-HXUWFJFHSA-N 439.920 5.501 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2cccc3ccccc23)c1 170369395 IJEMBSZOTOQBJV-HSZRJFAPSA-N 425.440 5.224 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(C(C)C)cc2)cc1 170378681 GHUXTPMOWOKVMG-VWLOTQADSA-N 440.543 6.111 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2cccc(C)c2)cc1OCC 170459464 ITITYKVJRMKPNF-QFIPXVFZSA-N 437.536 5.308 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2cccc3ccccc23)ccc1O 170464734 ODWOUPGENDQLKQ-HSZRJFAPSA-N 431.488 5.069 30 10 IKEE CC(C)(C)N1C[C@H](C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)CC1=O 170522163 VZCVEJZAIIZTHO-LJQANCHMSA-N 427.504 5.071 30 10 IKEE COc1cccc2c(C)cc(-n3ncc(C#N)c3Nc3nc4ccc(Cl)cc4s3)nc12 170547658 YHGDZJDVCCIKQE-UHFFFAOYSA-N 446.923 5.616 30 10 IKEE C=CCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1-c1ccc2ccccc2c1 253577542 XEIATNAJUNNYOD-SFHVURJKSA-N 428.561 5.254 30 10 IKEE Cc1ccc2oc(-c3ccc(C)c(N=Cc4cc(Cc5ccccc5)ccc4O)c3)nc2c1 254819011 UDGKOAXEYSJPQD-UHFFFAOYSA-N 432.523 7.159 30 10 IKEE O=C(COc1ccc(C=Nc2cccc([N+](=O)[O-])c2)cc1)c1ccc(-c2ccccc2)cc1 254872467 PHVBJRQBJMMWPH-UHFFFAOYSA-N 436.467 6.274 30 10 IKEE Cc1ccc([C@@H]2C(c3ccc(Cl)cc3Cl)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526490339 MIGLNCHVHYUCDU-JOCHJYFZSA-N 435.310 6.231 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccccc2OC)c1 526517334 VHTUPXYTHBLTNW-VWLOTQADSA-N 440.499 5.413 30 10 IKEE Cc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccc(C(F)(F)F)c2)cc1 526520548 HGSPCCHIPKRMPC-QFIPXVFZSA-N 434.417 5.943 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(O)cc2)cc1 526603953 JGWBXPOVEKWDBM-DEOSSOPVSA-N 426.472 5.110 30 10 IKEE CC(C)Oc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)c(F)c2)cc1 526709051 CJFSIMYLAVPFCT-QHCPKHFHSA-N 449.453 5.535 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)cc2)cc1 526710859 ULNFHCRLCBWWJO-XMMPIXPASA-N 445.490 5.788 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1cc(Br)ccc1O 526802536 JEIVKORRGBTUEN-JJFYIABZSA-N 449.349 5.012 30 10 IKEE CCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1cc(Cl)c(O)c(Cl)c1 526803135 SGSCAKGEYKEJNE-AFPJDJCSSA-N 425.316 5.167 30 10 IKEE Clc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2cccnc2)cc1 526809058 WMBVWZUKPUZGDF-QQXSKIMKSA-N 433.968 5.286 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccc(Cl)cc2)c(C)c1 526812442 VLKCXOCEGITAFB-YUMHPJSZSA-N 447.007 6.314 30 10 IKEE CC#CCC[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCCC 686837275 CTRFIJZGNMHXQS-DEOSSOPVSA-N 441.660 5.108 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c1 698470380 PYUSDOHYGQCOEN-LOJFUVEFSA-N 441.572 5.274 30 10 IKEE C[C@@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)CN1C(=O)OC(C)(C)C 698882678 FJASQLHULSSGDK-WAIKUNEKSA-N 449.979 5.763 30 10 IKEE C=C(CC)C[C@H](NCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 708590105 VKFJXQXPPMIBGR-RBUKOAKNSA-N 425.411 5.219 30 10 IKEE CCCCCCCCCNC(=O)[C@H](Cc1ccc(Cl)cc1)N1Cc2ccccc2C1=O 1860216112 CQBQFCDWPRCTFQ-DEOSSOPVSA-N 441.015 5.774 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC(C)C)NC(=O)CCc1ccc(OC)cc1 1861085384 XIIPPPXUDRTJKQ-XMMPIXPASA-N 432.649 5.416 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1cccc(Cl)c1 1861548112 IFNROVUIUIRKNK-JOPBRCQMSA-N 441.015 5.557 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)CCCOc1ccccc1C 1861706046 XBPYCGBWSKSSIG-HSZRJFAPSA-N 430.633 5.402 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(F)cc1F 1862381018 PRXJLABCDKEGFO-XTZNXHDOSA-N 440.273 5.648 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2cccc(C)c2)cc1 1862389210 ANDZKOJZWVALMY-RUZDIDTESA-N 440.543 5.511 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc(F)c1 1862430065 BGSHYZVUHLVHMW-GCJKJVERSA-N 443.946 6.416 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccccc1[N+](=O)[O-])c1ccccc1Cl 1862436426 SKTRTWJBBOYQFR-FQEVSTJZSA-N 440.883 5.159 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc2cc[nH]c2c1)c1cccc(Cl)c1 1862446518 USRCOOLHOQPSMY-NRFANRHFSA-N 432.863 5.193 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2ccccc2Cl)cc1 1862476397 KHKMSAGXHOCEOG-QHCPKHFHSA-N 431.919 5.735 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc2c(c1)CCCN2C 1862482041 IFVRJPIZPDSROU-XMMPIXPASA-N 432.564 5.146 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1Cl 1862482634 PITDLGBBMLKUTJ-FQEVSTJZSA-N 448.346 5.307 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862502178 SVAVTDQUWQMXQM-RUZDIDTESA-N 447.550 6.165 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CC(C)C)cc1 1862511474 OUSSDUYLMJVDEW-JOCHJYFZSA-N 425.500 5.157 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1cccc(Cl)c1 1862558550 ZDPWBTKZVWQFBM-OYHNWAKOSA-N 432.907 5.262 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2cccc(F)c2)cc1F 1862638218 WNYGLCUUZWNAAH-JOCHJYFZSA-N 441.474 5.275 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccc1C(=O)O 1862651004 IYLIHADDOLIXKO-HSZRJFAPSA-N 443.499 5.307 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 1862676846 SFSXTPPYMCRSSD-NRFANRHFSA-N 438.455 5.035 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2cccc(C)c2)cc1 1862686998 FXRXZCBMUDPSEM-DEOSSOPVSA-N 427.500 5.091 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2cccc(F)c2)c1 1862702779 LZQCLRCCEIJYJB-WAIKUNEKSA-N 431.463 5.174 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862708189 OKAXGYUHGGYYFA-HXOBKFHXSA-N 437.536 5.251 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2Cc2ccncc2)cc1 1862716141 ZHZDRTKVZNALQN-SANMLTNESA-N 448.522 5.576 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862743371 AMQZMBWLBHSXTF-SFHVURJKSA-N 449.290 5.280 30 10 IKEE CCOc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(Cl)cc3)C2=O)cc1 1862792746 TUQLGDYJLHNEMD-UHFFFAOYSA-N 443.890 5.007 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2Cl)C(=O)N(CCCN(CC)CC)C1=O 1863777810 XTRDBUSADLVZAE-UHFFFAOYSA-N 448.051 5.102 30 10 IKEE C=CCOc1ccccc1OCC(=O)N1CC(C)(C)c2ccccc2[C@H]1c1ccccc1 1868115466 JMICMHRUXXXXMX-HHHXNRCGSA-N 427.544 5.540 30 10 IKEE CCOc1ccc(/C=C/C(=O)Nc2c(C#N)nnn2-c2ccc(-c3ccccc3C)cc2)cc1 1870142176 DYNAPWMDOVTCKR-LICLKQGHSA-N 449.514 5.165 30 10 IKEE C=CCn1cc(OCCCCCCC)c(=O)cc1CSc1nc2ccccc2s1 1870251911 WPEHIPSYOQZCAT-UHFFFAOYSA-N 428.623 6.286 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)cc2)c(=O)cc1CNc1ccc(Cl)cc1C 1870861607 LCFIIIWOWISPTC-UHFFFAOYSA-N 429.347 5.841 30 10 IKEE C#CCOc1cn(Cc2ccccc2Cl)c(CNc2cccc(C(F)(F)F)c2)cc1=O 1871005596 OHJIPRBINJKEBK-UHFFFAOYSA-N 446.856 5.193 30 10 IKEE Cc1ccc(CCN2COc3ccc4c(c3C2)O/C(=C\c2cccc(Cl)c2)C4=O)cc1 1871347893 BSLLDNFLIFQUHS-OYKKKHCWSA-N 431.919 5.659 30 10 IKEE CCCCCCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(N(C)C)cc1)C3=O 1871348404 DGJMEVXDPIHMPE-UQQQWYQISA-N 448.607 6.190 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1cn(C)c4ccccc14)O3)CN([C@@H]1CCCC[C@@H]1C)CO2 1871351128 LIIUMEFEDBVKIT-OKBFXZSESA-N 442.559 5.834 30 10 IKEE CCCOc1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccn2)C3=O)cc1 1871378565 SUGSRTFJSVFPSP-NAVINWIDSA-N 441.483 5.414 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OC(=O)CCc4ccccc4)ccc3C2=O)c2ccccc21 1871386002 YAIJHRNRQOQJAX-QQXSKIMKSA-N 437.495 5.816 30 10 IKEE CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871405244 BHYNZLLIFUVYKU-GMPVXANTSA-N 433.460 5.009 30 10 IKEE CCCCCCOC(=O)COc1ccc2c(c1C)O/C(=C\c1ccccc1OCC)C2=O 1871421831 NPXZOWYSJUUVTL-KQWNVCNZSA-N 438.520 5.512 30 10 IKEE CCCC[C@@H](Oc1cc(C)c2c(c1)O/C(=C\c1cccc(Br)c1)C2=O)C(=O)O 1871423633 VTINBAXECVZEIN-HPKGMJOESA-N 445.309 5.396 30 10 IKEE COc1ccc(C)cc1NC(=O)CCOc1cc(C)c2c(c1)O/C(=C\c1ccc(C)o1)C2=O 1871446449 DOIIHJHGHXTPOY-QRVIBDJDSA-N 447.487 5.237 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(Cl)cc4F)ccc3C2=O)cc1 1871447052 NWJKSHXHWKLVRE-YVNNLAQVSA-N 437.854 5.421 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871450586 JPIMRMMQCZJGOO-PKFJFBDISA-N 441.527 6.142 30 10 IKEE Cc1cc(OCC(=O)Nc2ccccc2C(C)C)cc2c1C(=O)/C(=C/c1cccs1)O2 1871456355 ZVKATINRFVGBOQ-XKZIYDEJSA-N 433.529 5.814 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3cccc([N+](=O)[O-])c3)n2)cc1 1872762628 SFKUUCYWMBVQNO-BGVYSJOJSA-N 431.517 5.951 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)COc3cc(C)c(Cl)c(C)c3)n2)cc1F 1872775488 RJZFVSWGEHAWTH-MRXNPFEDSA-N 444.915 5.483 30 10 IKEE COc1ccc(OC)c(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)c1 1872776388 ORLPIZNTAWAIGZ-ZUURVNMSSA-N 432.545 5.840 30 10 IKEE CC(=O)Nc1cccc(C(=O)[C@H](C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)c1 1872785068 DTAKRHFWVVJXFS-NRFANRHFSA-N 431.561 5.865 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@@H](C#N)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 1872788794 QPVVOAPEMKDADL-AWEZNQCLSA-N 448.287 5.524 30 10 IKEE Cc1cc(OCc2nc3ccc(C(=O)Nc4cccc(C#N)c4)cc3[nH]2)cc(C)c1Cl 1872804729 IATWELKJBYOEHQ-UHFFFAOYSA-N 430.895 5.536 30 10 IKEE C=CCN1C(=O)C(Nc2cccc(Cl)c2Cl)=C(c2ccc(-n3cccc3)cc2)C1=O 1873203600 YOHGLFBKNNSTAH-UHFFFAOYSA-N 438.314 5.162 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C(C)=O)cc2)=C(c2ccc(C)cc2)C1=O 1873367427 BBRZBUWFCDEIFD-UHFFFAOYSA-N 432.564 5.750 30 10 IKEE CCCCCOc1ccccc1/C=N/Nc1cnn(-c2ccc(Cl)cc2)c(=O)c1Cl 1873526544 KUQJCGQFRGWOGK-AFUMVMLFSA-N 445.350 5.554 30 10 IKEE CCCCCCCCCCNc1ncnc2c1ccc(=O)n2-c1cccc(NC(C)=O)c1 1873539005 PDPPTHOYOOIBCU-UHFFFAOYSA-N 435.572 5.292 30 10 IKEE C=CCn1c(C(=O)NCCCCCCCCCC)cc2c(N3CCCCCC3)ncnc21 1873594762 BDHHRQZRBFPDNK-UHFFFAOYSA-N 439.648 5.868 30 10 IKEE CCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1/N=C/c1sccc1C 1874194766 GEBFPNKJUZLUGJ-LFVJCYFKSA-N 442.654 5.951 30 10 IKEE CCCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc(O)cc1O 1874234076 PQZPUCLTWXTEDA-PCLIKHOPSA-N 432.549 5.012 30 10 IKEE COc1ccccc1CCc1nnc(SCc2ccccc2)n1/N=C/c1cccs1 1874314210 HZSZZABEOQCGEA-LFVJCYFKSA-N 434.590 5.308 30 10 IKEE COc1ccc(Cc2nnc(SCc3cccc(F)c3)n2/N=C/c2cccs2)cc1 1874350359 IFZTZOBQIWETDZ-ZVHZXABRSA-N 438.553 5.253 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccncc1 1874362879 BSKDOQMCSBIJJI-JVWAILMASA-N 431.540 5.080 30 10 IKEE Fc1ccc(CSc2nnc(-c3ccccc3Cl)n2/N=C/c2ccccc2F)cc1 1874366114 LWCFNEYGSLGYJC-LGJNPRDNSA-N 440.906 6.051 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1ccc(OCCCCC)cc1 1874388995 GLNSWWCHEVYZCC-OVVQPSECSA-N 448.636 6.297 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2ccc(C(=O)O)cc2)cc1 1874425295 AKDYOUQYUVYTGB-MFKUBSTISA-N 428.517 5.126 30 10 IKEE O=[N+]([O-])c1cccc(/C=N/n2c(SCc3ccccc3Cl)nnc2-c2ccccc2)c1 1874428550 OEZCABOYCYJJHJ-ZVHZXABRSA-N 449.923 5.681 30 10 IKEE CCCOc1ccccc1/C=N/n1c(CC(C)(C)C)nnc1SCc1ccc(F)cc1 1874436919 GKJLIHXFXJNFMX-WGOQTCKBSA-N 440.588 5.969 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCCC3)n2/N=C/c2cccc3ccccc23)c1 1874455954 SIYKBCSCLUMILJ-OGLMXYFKSA-N 440.616 6.880 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2-c2ccco2)c(OC)c1 1874467208 WZURHXOVMCVKIV-AFUMVMLFSA-N 448.548 5.347 30 10 IKEE CC(C)Cc1nnc(SCc2ccccc2F)n1/N=C/c1ccc(Cl)cc1Cl 1874489958 SZZQRXKBYSHTQP-BHGWPJFGSA-N 437.371 6.097 30 10 IKEE CC(C)Cc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccccc1O 1874490486 SYLCFDCALACBEA-FOKLQQMPSA-N 435.380 5.664 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccccc2C)n1/N=C/c1ccc(C(C)C)cc1 1874503565 OCJCDTVSAGJWOH-MFKUBSTISA-N 435.597 5.275 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2C(C)C)cc1 1874513625 IKKXRYGFJBEKBN-WGOQTCKBSA-N 435.641 6.039 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2cccc(Cl)c2)nnc1C(C)C 1874515499 APEVHYWHXPKOOC-ZVHZXABRSA-N 426.973 5.794 30 10 IKEE CCCCOc1ccc(/C=N/n2cnnc2SCc2ccc(Cl)c(Cl)c2)cc1 1874539887 BZOVYZUGCDBYOR-WYMPLXKRSA-N 435.380 5.938 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2cc(C)cc(C)c2)cc1 1874572630 XOBDKRGCVWYPHK-BUHFOSPRSA-N 443.543 5.788 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccc(CC)cc2)cc1 1874577941 NDWHVMZTZHXFHI-QGOAFFKASA-N 429.516 5.561 30 10 IKEE O=C(/C=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)c1ccccc1 1874578450 OLRXOKUHZWZNIY-XYOKQWHBSA-N 438.277 5.832 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(C)ccc2C)c1OCC(=O)Nc1ccc(F)cc1 1874580547 SWWZZDWANZIDJR-NTEUORMPSA-N 433.479 5.365 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)N[C@H](C)c3ccccc3)c2)c(C)c1C 1874598268 DGKPLDBATBPNJD-UACNQURRSA-N 443.543 5.464 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OCC(=O)Nc1ccccc1 1874603394 VDMPIPOHRCNGML-RVDMUPIBSA-N 441.527 5.488 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OCc1ccc(C(=O)OCC)o1 1874613968 WUDYNRVLCKFEEK-WYMLVPIESA-N 446.499 5.669 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Br)c1OCCCO 1874624007 HENYLAWYOWJNQE-IZZDOVSWSA-N 447.369 5.629 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OCC(=O)Nc1ccccc1C 1874624921 CRKWODQQGBGBJL-MDWZMJQESA-N 449.478 5.065 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)ccc1OCc1ccc(C)cc1 1874633687 PXSHSBGZNTWAIW-PKNBQFBNSA-N 436.935 6.449 30 10 IKEE CCCCCCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(C)c1 1874685288 JRRUREWXVQOYHN-RUZDIDTESA-N 433.596 5.893 30 10 IKEE CCOc1ccc(CC(=O)Oc2cc(/C=C/C(=O)c3ccc(CC)cc3)ccc2OC)cc1 1874694265 UOQJRHDFKLPURM-MHWRWJLKSA-N 444.527 5.701 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)C3CC3)c2)cc1OCCC 1874700008 WZAJBVTZTWPBBH-IZZDOVSWSA-N 438.520 5.484 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccncc3)c2)cc1 1874708635 NCRPCNZVHKFDMF-XNTDXEJSSA-N 443.543 6.546 30 10 IKEE O=C(CC1CCCCC1)Oc1cccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)c1 1874712150 BAJIOBCRCJFGAR-XMHGGMMESA-N 440.539 7.251 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3cccc4ccccc34)c2)cc1C 1874718409 YDVVXEAIWAVUBD-CCEZHUSRSA-N 436.507 6.581 30 10 IKEE Cc1cnc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)cc2Cl)cn1 1875097420 KHJLZZOHWQFUKH-UXBLZVDNSA-N 432.907 5.433 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(Cl)cc1 1875122255 UMAUVGPCQQIKBA-VZUCSPMQSA-N 427.283 6.117 30 10 IKEE Cc1nc2ccc(C(=O)Oc3ccc(/C=C/C(=O)c4ccccc4)cc3Cl)cc2nc1C 1875127982 IEZCWAVKWVQCLA-XYOKQWHBSA-N 442.902 6.015 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)[C@H](C)c1ccccc1 1875136131 YWFXZDSPFZSPKA-LBKOFNPBSA-N 448.946 6.652 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1OC(=O)c1ccccc1 1875136141 ZJFJOWGGUDNEEM-SDNWHVSQSA-N 431.444 5.417 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)CC(C)C)c(Cl)c2)cc1C(C)C 1875163024 RHKUVXRFKXUVRW-VQHVLOKHSA-N 428.956 6.628 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)c1cc(C)cc(C)c1 1875166576 NMDOHBSFAMHWAV-JXMROGBWSA-N 444.527 6.053 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc([N+](=O)[O-])c1OC(=O)c1ccncc1 1875174719 FUIWUMMQQPXEKS-SOFGYWHQSA-N 446.459 5.121 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3-c3ccccc3)cc2)cc1C 1875176058 UMGGQLWARDZWIF-XDJHFCHBSA-N 432.519 7.086 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)ccc1OC(=O)C(F)(F)F 1875181230 VNGPAUKGIOHEGQ-FNORWQNLSA-N 442.817 5.420 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C)c(OC)cc3C)cc2)c1 1875186573 BVIHFOCYZGAAIE-SDNWHVSQSA-N 430.500 5.826 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(Cl)ccc3Cl)cc2)c1 1875191124 DQAKBLJCGSBUCF-MDWZMJQESA-N 441.310 6.507 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)C(F)(F)[C@@H](NC(=O)OC(C)(C)C)C1CC1 1922067560 CDXINOMFLWRYML-RTWAWAEBSA-N 438.559 5.066 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)C[C@@H]1C 1922121824 ZUNOTXYPWCIKJZ-VSYWRSJOSA-N 430.633 5.409 30 10 IKEE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)c1ccc(C#N)c(C(F)(F)F)c1 2006274940 QKDKXYRAAIACOX-UHFFFAOYSA-N 433.474 5.498 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)C1(NC(=O)OC(C)(C)C)CCC(C)(C)CC1 2023701135 CDQUSZZAONBPRF-QFIPXVFZSA-N 430.633 5.601 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@H](CNC(=O)OC(C)(C)C)CC(C)C 2033654234 ZHGFBAXFMCWSRK-CTNGQTDRSA-N 445.604 5.816 30 10 IKEE Cc1sc(Cl)cc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2036899769 ZOIXDZFYTJIRDQ-HNNXBMFYSA-N 441.778 6.479 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(Cc2ccccc2)CC1(C)C 2037428777 BSCFSVLWCDPJML-MHZLTWQESA-N 433.596 5.931 30 10 IKEE O=C(C(=Cc1ccc(OCc2ccccc2)cc1)c1nc2ccccc2[nH]1)c1ccccc1 2040447447 TXKFZDXZMNXYKN-UHFFFAOYSA-N 430.507 6.565 30 10 IKEE C=CCN(CC[C@H](Cc1cccc(Br)c1Cl)NC)C(=O)OC(C)(C)C 2047965349 OPFOJCVSKXRLBV-OAHLLOKOSA-N 431.802 5.046 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)cc1Cl)NCCC 2063090494 QGPACODIUQMTCT-IRXDYDNUSA-N 431.802 5.093 30 10 IKEE C=C(CC[C@@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@]35CC[C@]12C)C(C)C 2069385904 AEAWOMODYBIREN-LMQZNFOLSA-N 438.740 8.623 30 10 IKEE O[C@H](C[C@@H]1CCC[C@H]2O[C@@H]12)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071325306 VNSIDHNYFRPCNB-PAXQOXJBSA-N 430.544 5.836 30 10 IKEE C=C(C[C@@H](NC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)OC 2071344145 JKZSDLKOFIIHLM-SHQCIBLASA-N 433.548 5.016 30 10 IKEE Cc1ccc([C@@H](n2nc(C(C)C)c(C#N)c2I)C(C)(C)C)cc1F 2079089657 SOPNUNLJVADSPO-QGZVFWFLSA-N 439.316 5.566 30 10 IKEE ON=Cc1c(C2CCC2)nn([C@H](c2ccc(C(F)(F)F)cc2)C2CC2)c1Br 2079876578 LINAYADOXGQHAR-KRWDZBQOSA-N 442.279 5.739 30 10 IKEE COc1ccc([C@H](n2nc(C(F)F)c(C=NO)c2Br)C(C)(C)C)c(C)c1 2079950427 FIBXPHYXPXCPOF-HNNXBMFYSA-N 430.293 5.344 30 10 IKEE CC(C)c1nn2c(Cl)c(C#N)cnc2c1-c1cc(C(F)(F)F)cc(Br)n1 2081149333 UBJQPNYZFJQKBM-UHFFFAOYSA-N 444.642 5.221 30 10 IKEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(CN(Cc2ccccc2)C2CCCCC2)c1 2095912362 GXTWGUAIHWQHKR-UHFFFAOYSA-N 435.417 5.329 30 10 IKEE CCCN(Cc1ccc(Br)cc1C#N)C1CCN(Cc2ccccc2)CC1 2143595531 VOLOMAZIWZSHSP-UHFFFAOYSA-N 426.402 5.197 30 10 IKEE C=C([C@H](NCCC)[C@H](O)c1cc(Br)c(Br)s1)C(C)(C)C 2152976735 JVYCZSLNQADMOI-QWHCGFSZSA-N 425.230 5.277 30 10 IKEE C=CCN(CC[C@@H](Cc1cc(Br)ccc1F)NCCC)C(=O)OC(C)(C)C 2155517762 XXBSZIKGDZDIIV-SFHVURJKSA-N 443.401 5.312 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)cc(C)cc1Br 2173464670 XBUJXLVYTZVAMM-PKOBYXMFSA-N 441.385 5.244 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H](Nc2cc(Br)ccc2C#N)C12CCCC2 2204293313 KRVCNQUWPQTNEX-SFHVURJKSA-N 434.378 5.445 30 10 IKEE C=C(F)C[C@@H](NCCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229114339 PHVIYAYABWWJPO-MSOLQXFVSA-N 429.374 5.126 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)C2(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2249587951 XIHYKEVXVKVXHA-QLCVBSLISA-N 433.593 5.095 30 10 IKEE CC(C)[C@H](C)N(Cc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2255953261 GMJXGOUGCVUJMC-SFHVURJKSA-N 441.808 5.326 30 10 IKEE CC(C)(C)C#CC=CC[C@H](O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2256688587 WECWDMQQCQUZFQ-HOFKKMOUSA-N 441.612 5.187 30 10 IKEE N#Cc1cccc(Br)c1Nc1c(Br)cccc1Br 2257481329 CBYDZEJDEMHWNE-UHFFFAOYSA-N 430.925 5.589 30 10 IKEE C[C@H](NC(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1)c1ccc(NC(=O)OC(C)(C)C)cc1 2267464208 MWVMSBVOZHRIBO-INIZCTEOSA-N 444.381 5.227 30 10 IKEE CN(CCN(CC[C@H]1CCCC[C@]1(C#N)NC1CC1)Cc1ccccc1)Cc1ccccc1 2273194025 JPMBHYYASPIHLU-XRKRLSELSA-N 444.667 5.215 30 10 IKEE CCCCN1C(=O)C(=C2Sc3ccccc3N2CC)SC1=Nc1ccc(O)cc1 2295178757 XEBCQHSAPWWVHE-UHFFFAOYSA-N 425.579 5.557 30 10 IKEE CCCCCCC(C=Nn1c(O)nc2c([nH]c3ccc(F)cc32)c1=O)=Cc1ccccc1 2295956375 VPINXZQWBLHRBQ-UHFFFAOYSA-N 432.499 5.610 30 10 IKEE Fc1ccc(NC(=S)NN=Cc2cn(-c3ccccc3Cl)nc2-c2ccccc2)cc1 2296404992 GYTKHHPDKVGRLD-UHFFFAOYSA-N 449.942 5.652 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccc(Br)cc1)C2=O)c1ccccc1F 2296548419 JHWMCDOEEBXIEY-UHFFFAOYSA-N 439.236 5.424 30 10 IKEE Clc1ccc(-c2nc3cc(N=CC=Cc4cccc(Br)c4)ccc3o2)cc1 2297215051 ZPTKRPYBZLHYHB-UHFFFAOYSA-N 437.724 7.326 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cn(C[C@@H](O)CN3CCCCCC3)c3ccccc23)cc1 2297359416 REJABDIKGFAATL-DEOSSOPVSA-N 446.591 5.173 30 10 IKEE O=C1ON=C(c2ccccc2)C1=Cc1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 2297616899 HKTREAXSELOJGV-UHFFFAOYSA-N 438.266 5.557 30 10 IKEE CCOc1ccc2c(c1)OC(=Cc1cccc(OCC)c1OC(=O)c1ccc(C)cc1)C2=O 2314527205 JWHPPUKZRPGWER-UHFFFAOYSA-N 444.483 5.628 30 10 IKEE Cc1nnc(N=C2SC(=Cc3cn(C)c4ccccc34)C(=O)N2c2ccccc2)s1 2314547741 LKJLXVWAFRUIPZ-UHFFFAOYSA-N 431.546 5.147 30 10 IKEE CC#CCN(C[C@@H](NCC)c1cccc(Cl)c1Br)C(=O)OC(C)(C)C 2316114800 WKAHNKRAVOQJNH-MRXNPFEDSA-N 429.786 5.014 30 10 IKEE O=C(O)c1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CC2)cc1 2320873755 JNVSJUWIFGLFKX-UHFFFAOYSA-N 428.517 5.181 30 10 IKEE Cc1ccc(C)c(COc2ccc3c(c2C)OC(=Cc2ccc(Br)cc2)C3=O)c1 2321758147 WFNPVZWHIVBQIF-UHFFFAOYSA-N 449.344 6.570 30 10 IKEE CCCCCCOc1ccc(C=Nn2c(S)nnc2Cc2ccc(C)cc2)cc1OC 2321968455 MMDRPWZJRSHHKG-UHFFFAOYSA-N 438.597 5.316 30 10 IKEE COc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN([C@@H](C)c1ccccc1)C3 2322092402 XTUXSCDJDBFKJK-SFHVURJKSA-N 427.500 5.533 30 10 IKEE COC(=O)c1ccc(C=C2Oc3c(cc4c(c3C)OCN(C3CCCCCC3)C4)C2=O)cc1 2322359612 SJBJVCUNBSFSEX-UHFFFAOYSA-N 447.531 5.273 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(Cl)cc2C=CC(=O)c2ccc3c(c2)OCO3)cc1 2322698923 JOTQCYYAJGHZIZ-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE Cc1cc(OC(=O)c2ccccc2Cl)cc2c1C(=O)C(=Cc1ccc(N(C)C)cc1)O2 2322725223 STGDILLIFGRWJZ-UHFFFAOYSA-N 433.891 5.550 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OC(=O)c4ccccc4F)ccc3C2=O)cc1 2322792069 MTIQLHBFSLJRLI-UHFFFAOYSA-N 431.463 5.507 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OC(=O)c4cccc(Cl)c4)ccc3C2=O)cc1 2322910841 ULYUEJGBYKSFCR-UHFFFAOYSA-N 447.918 6.022 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)C=Cc1ccc(C(C)C)cc1 2323231280 GFGWNWYIXZDCJW-RUZDIDTESA-N 428.661 6.365 30 10 IKEE Cc1c(OC(=O)c2ccc(C(F)(F)F)cc2)ccc2c1OC(=Cc1cccnc1)C2=O 2323352262 HVLPMIICPLETMW-UHFFFAOYSA-N 425.362 5.244 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3nccs3)c(Cl)c2)cc1 2323464844 RIXHSYHXTUIPSJ-UHFFFAOYSA-N 426.925 5.273 30 10 IKEE Sc1nnc(-c2cccs2)n1N=Cc1cccc(OCc2ccc(Cl)cc2)c1 2323532122 JRUUNBBFRFMZAB-UHFFFAOYSA-N 426.954 5.410 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2sccc2C)C3=O)cc1 2323628374 YLOFUHOPPPLQMV-UHFFFAOYSA-N 434.469 5.126 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)c4ccc(-n5cccc5)cc4)cc(C)c3C2=O)c1 2323675928 ABHYJCMOFLJZOV-UHFFFAOYSA-N 435.479 5.930 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2F)C3=O)cc1 2323865517 MHBWCJHGFFNRBA-UHFFFAOYSA-N 430.431 5.534 30 10 IKEE CCCCOc1ccc2c(c1)OC(=Cc1cc(Br)cc3c1OCOC3)C2=O 2324244999 NHNGXLTWAGBVIS-UHFFFAOYSA-N 431.282 5.111 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(ccc(OCCCc4ccccc4)c3C)C2=O)cc1 2324281090 ZSNKMNIMLQLMOM-UHFFFAOYSA-N 441.571 6.469 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)cc1C 2324627292 YPHOECMOZYIPPT-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(C=CC(=O)c3cc(Cl)ccc3OC)cc2)cc1 2324693875 RPTVYCZCNVGXEN-UHFFFAOYSA-N 449.934 5.825 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1OC(=O)CC(C)(C)C 2325668764 LODDGNHAZHTIKV-UHFFFAOYSA-N 428.528 6.600 30 10 IKEE COc1ccc(Cl)cc1NC(=O)COc1ccc2c(c1)OC(=Cc1cccs1)C2=O 2325708576 ILZNJCAQFOKZHW-UHFFFAOYSA-N 441.892 5.044 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2Cl)cc1OC(=O)c1ccc(C(C)(C)C)cc1 2325717090 SKCVOJVTEDDCPC-UHFFFAOYSA-N 448.946 6.761 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1OC(=O)c1ccc2c(c1)OCO2 2325729705 IOXIDSWCOSJBRN-UHFFFAOYSA-N 436.847 5.193 30 10 IKEE CCCOc1ccc(CC(=O)Oc2cc(C=CC(=O)c3ccccc3)ccc2OC)cc1 2325730956 YPQVXHXTIMYFRV-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE COc1cccc(CCC(=O)Oc2cccc(C=CC(=O)c3ccc(OC)cc3OC)c2)c1 2325761750 LVZWHUFJYNXVEB-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OC(=O)Cc1cc(C)ccc1C 2325764170 WPHZSSABWXWQJW-UHFFFAOYSA-N 442.555 6.282 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)cc(Br)c1O 2325797481 QNGOBNGZEBCCPU-UHFFFAOYSA-N 427.294 5.611 30 10 IKEE CCOc1c(Cl)cc(C=Nn2cnnc2SCc2ccc(F)cc2)cc1Cl 2326236524 OBYPILZPSYHJAY-UHFFFAOYSA-N 425.316 5.297 30 10 IKEE COc1cc(C=Nn2cnnc2SCc2ccc(C(C)(C)C)cc2)cc(Cl)c1O 2326314520 ZRFBOODIVXQRHC-UHFFFAOYSA-N 430.961 5.118 30 10 IKEE CCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1cc(Cl)c(O)c(Cl)c1 2326406622 OEXNWQNYMWJCIA-UHFFFAOYSA-N 435.380 5.644 30 10 IKEE Cc1ccc(C)c(CSc2nncn2N=Cc2cc(Cl)c(OC(C)C)c(Cl)c2)c1 2326589239 WWHBPYHCWJFKPB-UHFFFAOYSA-N 449.407 6.163 30 10 IKEE FC(F)(F)c1cccc(C=Nn2cnnc2SCc2ccc(Cl)cc2Cl)c1 2326691261 PHSOMYZBNFVQNJ-UHFFFAOYSA-N 431.270 5.778 30 10 IKEE CCCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1cccc(OCC)c1 2327300209 OJZKRQMSWOJVGB-UHFFFAOYSA-N 438.597 5.565 30 10 IKEE Fc1cccc(CSc2nnc(CCc3ccc(Cl)cc3)n2N=Cc2ccco2)c1 2328037269 LIKWALCONANGMJ-UHFFFAOYSA-N 440.931 5.623 30 10 IKEE C=C(C)CSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1ccc(OC)cc1 2328156054 GSXYHZJAMKPUCB-UHFFFAOYSA-N 426.630 6.301 30 10 IKEE Fc1ccc(C=Nn2c(CCOc3ccccc3)nnc2SCCc2ccccc2)cc1 2329200304 HELWNVVMLPLOSX-UHFFFAOYSA-N 446.551 5.256 30 10 IKEE C=CCSc1nnc(COCc2ccccc2)n1N=Cc1c(Cl)cccc1Cl 2329352634 HKLJSBWDSBVTIF-UHFFFAOYSA-N 433.364 5.462 30 10 IKEE Cc1cccc(CSc2nnc(Cc3cccs3)n2N=Cc2ccc(F)cc2F)c1 2330353435 IPZASJHCJWEQJQ-UHFFFAOYSA-N 440.544 5.692 30 10 IKEE Oc1ccc(C=Nn2c(Cc3cccs3)nnc2SCc2cccc(Cl)c2)cc1 2330438654 NBOXSUUSFPLMIX-UHFFFAOYSA-N 440.981 5.464 30 10 IKEE C(=Nn1c(SCc2cccc3ccccc23)nnc1-c1cccs1)c1ccncc1 2330595133 FAWQABIXSKMACQ-UHFFFAOYSA-N 427.558 5.729 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)CC(C)(C)C 2330609658 BHCFBRQPRNORQL-UHFFFAOYSA-N 442.555 6.990 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2ccc3c(c2)OCCO3)cc1 2330623931 TUNYTTSOUASWGR-UHFFFAOYSA-N 442.544 5.199 30 10 IKEE O=C(CSc1nnc(-c2ccccc2)n1N=Cc1cccc(Cl)c1)Nc1ccccc1 2330627955 SVEYQFOPPLNNFP-UHFFFAOYSA-N 447.951 5.212 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccccc3OC)cc2[N+](=O)[O-])cc1 2331066112 KTAAKKQWRFYWQZ-UHFFFAOYSA-N 447.443 5.117 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(OC)cc3OC)cc2)cc1 2331188442 CMOXNKDAHWOKNB-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)CCc1ccccc1C 2331326982 WJSCZSMPYSSLSQ-UHFFFAOYSA-N 442.555 6.445 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)cc2)ccc1F 2331333077 UKNLXAXCGLEBDH-FGZHOGPDSA-N 434.894 6.393 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1cc(C)ccc1O 2331344392 KHYWUUBTISKMFJ-UHFFFAOYSA-N 430.577 5.962 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2c(OC)cccc2OC)cc1 2331351669 NSHXLRTUPGYYRK-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2OC)cc(OC)c1OC(=O)CC(C)(C)C 2331376421 BYWLGSHMMICFBZ-UHFFFAOYSA-N 436.548 5.978 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(C(C)(C)C)n2N=Cc2cccc(Cl)c2)o1 2331392211 DGRDQMJCKJVLDX-UHFFFAOYSA-N 446.960 5.173 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2cccc(Cl)c2)nnc1C1CCC1 2331541740 LEEHIKZBCCKYNS-UHFFFAOYSA-N 441.000 6.162 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)c1ccco1 2331562677 IVHYMKJVCOHCCH-UHFFFAOYSA-N 432.806 5.725 30 10 IKEE CCCOc1c(C=Nn2c(SCc3ccccc3C)nnc2C(C)C)cccc1OC 2331675519 YBXYKKVEEFXCSG-UHFFFAOYSA-N 438.597 5.682 30 10 IKEE CCc1ccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C(C)C)cc1 2331708322 DBEZFLQMGVXIAI-UHFFFAOYSA-N 433.408 6.445 30 10 IKEE C=CCOc1ccccc1C=C1C(=O)N(Cc2cccc(F)c2)N=C1c1ccc(OC)cc1 2332114266 KJOBKKPKSHGEMH-UHFFFAOYSA-N 442.490 5.229 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@H](O)C#Cc2ccc(Br)cc2)c(Cl)c1 2335922151 DULBDOFWKCRXRE-GOSISDBHSA-N 436.733 5.535 30 10 IKEE CCN[C@@H](C#C[C@@H]1CC1(F)F)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2341058648 FLXZHYKXYXYGTH-DOMZBBRYSA-N 429.305 5.105 30 10 IKEE CN[C@@H](C#CC1(OC)CCCC1)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2363516609 GNPAACDZPYYVEL-SFHVURJKSA-N 437.378 5.019 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@]2(CCNc3cc(Br)cc(F)c3C#N)CC[C@H]1C2 2363715865 MHJHQXNQZZSYDR-VBKZILBWSA-N 438.341 5.051 30 10 IKEE CCc1ccccc1NC(=S)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 3041854 IVYWKJCVAAUIMD-QYQHSDTDSA-N 448.979 5.140 30 10 IKEE C/C(=N\N=C1\N=C(O)[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)S1)c1ccc(C)cc1 8385886 GQWUGLXVQCFTQL-BMAFUFKNSA-N 448.470 5.195 30 10 IKEE COc1ccccc1[C@@H]1N=C(Nc2nc3ccccc3s2)NC2=C1C(=O)CC(C)(C)C2 17098057 FXZWWCPCMUHVRX-NRFANRHFSA-N 432.549 5.061 30 10 IKEE CCOc1cc([N+](=O)[O-])cc(/C=N/c2cccc(-c3nc4cc(C)ccc4o3)c2C)c1O 27472019 DEMVFNOLIIQRMV-DHRITJCHSA-N 431.448 5.875 30 10 IKEE Cc1noc2c1[C@H](c1ccc(Cl)cc1Cl)C1=C(C[C@@H](c3ccccc3O)CC1=O)N2 33026461 CEDOFBNGFVTUKT-GTJPDFRWSA-N 441.314 5.954 30 10 IKEE COc1cccc(COc2ccc3c(c2)O/C(=C\c2ccc(-c4ccccc4)cc2)C3=O)c1 33514108 ORDDHOFYYWKOHC-QRQIAZFYSA-N 434.491 6.557 30 10 IKEE O=C(/C=C\c1ccccc1)Oc1ccccc1/C=C\C(=O)c1ccc(-c2ccccc2)cc1 34954128 JBCIHAWZXBNLHL-RADJCLFJSA-N 430.503 6.869 30 10 IKEE O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1Cl)C2=O 35550365 BFFHSVGDRSDFNX-FTTJZNGKSA-N 437.278 6.228 30 10 IKEE CC(/C=C1\S/C(=N/c2cccc(C(=O)O)c2)N(c2ccccc2)C1=O)=C\c1ccccc1 39866778 ATUDHUJHRJYQAY-SJOXRXNFSA-N 440.524 6.140 30 10 IKEE COc1ccc(CCN2COc3ccc4c(c3C2)O/C(=C\C=C\c2ccccc2)C4=O)cc1 41660363 IRPYQCBVEKGNOA-MMURTEQHSA-N 439.511 5.262 30 10 IKEE Cc1ccccc1CSc1nnc(N/N=C/c2ccc3ccc4cccc5ccc2c3c45)[nH]1 59310264 DGSCQXIFXSCGOV-RWPZCVJISA-N 447.567 6.749 30 10 IKEE O=[N+]([O-])c1ccc2nc(/N=C/c3ccc(-c4ccc(Br)cc4)o3)sc2c1 59382190 NWCMTZGPPQOELH-KEBDBYFISA-N 428.267 5.978 30 10 IKEE O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 96511933 UZQSRPVOWTUSKU-UHFFFAOYSA-N 434.336 6.239 30 10 IKEE CCCCCCCOc1ccc(NC(=S)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 100285082 FKIABAGGLXVREF-CXUHLZMHSA-N 441.553 5.470 30 10 IKEE CCCCCCCCCCCCn1c([C@@H](C)NC(=O)[C@@H]2CCCO2)nc2ccccc21 102133476 IHNACFYKYWIHJL-QPPBQGQZSA-N 427.633 6.313 30 10 IKEE CCCCCCCOc1ccccc1/C=N/NS(=O)(=O)c1cc(C(C)(C)C)ccc1C 169902249 UYOOOTYAPGPDGV-LGUFXXKBSA-N 444.641 5.954 30 10 IKEE CCCOc1c(OCC)cc(/C=N\Nc2nc(-c3ccc(C)cc3)cs2)cc1[N+](=O)[O-] 169941285 AFNIYLLIRBBONO-QRVIBDJDSA-N 440.525 5.660 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@@H]2c2cccnc2)cc1 170003297 ZFLAVKWQCCWLNC-XMMPIXPASA-N 440.543 5.724 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccc(C)o2)cc1 170101266 OEKNTYKQZPXWGM-QHCPKHFHSA-N 442.471 5.251 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccc(O)cc2)ccc1Cl 170131886 GQRIAEIUJAATEY-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(O)cc2)cc1C(C)C 170135591 UTGALIGIEBVMQT-XMMPIXPASA-N 449.547 5.435 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@H]2c2cccs2)c1 170156698 JCROUKWSCWMTJP-HSZRJFAPSA-N 447.556 5.935 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2cccs2)c(C)c1 170160802 CAJLYKYYURQFBP-HSZRJFAPSA-N 447.556 5.935 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@H]1c1cccs1 170160806 CFECSKVDOVUXIM-QFIPXVFZSA-N 433.529 5.465 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccccc1)c1ccc2c(c1)CCCC2 170223045 OBUHIKUPAFLDBE-DEOSSOPVSA-N 445.465 5.627 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccccc1)c1c[nH]c2ccccc12 170226721 WTFVBNFIQXILAH-QFIPXVFZSA-N 428.875 5.604 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(C4CCCCC4)[C@@H]3c3ccc(F)cc3)oc12 170242434 RRGBTPGWWINANT-JOCHJYFZSA-N 449.478 5.492 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cc(C)cc(C)c3OC)=C(O)C(=O)N2C2CCCCC2)cc1 170266542 BYMVHMLKSGIVMX-DEOSSOPVSA-N 447.575 5.785 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1C1CCCCC1 170275421 FNBGQQZDIRHEKR-VWLOTQADSA-N 425.528 6.059 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccc(C)o2)c1 170299986 VPAFCVAXXTYPOZ-RUZDIDTESA-N 441.527 5.867 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(C)o1 170309931 SRQPOCMVAVBORN-GOSISDBHSA-N 432.314 5.119 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)cc1 170326949 AVAALOVSJPZBFO-IBGZPJMESA-N 443.883 5.332 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1c1ccc(OC(C)C)cc1 170335309 VIGSFIKAAGEJKS-JOCHJYFZSA-N 449.528 5.327 30 10 IKEE CC(=O)Oc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(C)cc(C)c2)c1 170407800 TVMCLTAVZAVLCE-XMMPIXPASA-N 441.483 5.012 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]1c1cccs1)c1cccs1 170415949 YHJNRDADNOLHQS-KRWDZBQOSA-N 449.475 5.607 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(Cl)cc1 170421413 WFQFPAFJDIQRHG-HXUWFJFHSA-N 439.920 5.189 30 10 IKEE N#C[C@@H](Nc1ccc(Br)cc1)c1ccc(Br)c(Br)c1 232452716 SEJIMHUPXFMQDS-CQSZACIVSA-N 444.952 5.651 30 10 IKEE CC(=O)Nc1sc(NN=Cc2ccc(Cl)cc2Cl)nc1-c1ccc(Cl)cc1 254307653 IFOCZCRQMBPTNL-UHFFFAOYSA-N 439.755 6.175 30 10 IKEE N#Cc1cc(Sc2nnc(-c3cccnc3)n2Cc2ccco2)nc2ccc(Cl)cc12 301932659 PIIHJXZKOYOESH-UHFFFAOYSA-N 444.907 5.206 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 526488208 LIBRLZXTCSGDIS-NRFANRHFSA-N 431.835 5.177 30 10 IKEE Cc1ccc([C@@H]2C(c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2c2ccccc2C#N)o1 526604274 GIDJVKOHPRHZIQ-XMMPIXPASA-N 428.488 5.552 30 10 IKEE CCCCOc1ccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526607229 OCWXJKJLLPZMDT-RUZDIDTESA-N 442.490 5.933 30 10 IKEE CCOc1ccc(/C=N\n2c(C)nnc2SCc2ccc(Cl)cc2)c(OCC)c1 526806698 RQDRDCSQARJABU-QRVIBDJDSA-N 430.961 5.212 30 10 IKEE CC(=O)Nc1ccc(N=c2c(CCC(C)C)c(C)c(C#N)c3[nH]c4ccccc4n23)cc1 607737249 GNXUCUUHPLMRJD-UHFFFAOYSA-N 425.536 5.380 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1ccc(Cl)cc1F 698460461 ZKUZLJRHSAHZCJ-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@H](C#N)c1ccc(I)cc1 698489676 HNEAHAUUXIFYJU-QGZVFWFLSA-N 434.277 5.298 30 10 IKEE C[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)CCN1C(=O)OC(C)(C)C 698830204 IIUPRFSPYSKFNL-QMHKHESXSA-N 433.524 5.249 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@H](C#N)c1cccc(Br)c1F 698967579 RTBKKOJQCLPPEL-MRXNPFEDSA-N 439.712 6.248 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Cl)c1Br)NCCC 719443950 PFJFBIOBBZZPMP-SJORKVTESA-N 445.829 5.483 30 10 IKEE C=C1CCC(C[C@@H](NCCC)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 724567470 ABNHYCGPKFRHQF-RPBOFIJWSA-N 443.676 5.516 30 10 IKEE C(=Nc1cc2c3c(c1)[C@H](c1ccccc1)CCN3CC[C@H]2c1ccccc1)c1cccnc1 1084371204 OBHRBTYPODQXGF-SVBPBHIXSA-N 429.567 6.710 30 10 IKEE Cc1cc2c(n1-c1ccc(Cl)cc1)CC(C)(C)CC2=NOC(=O)c1ccccc1Cl 1772728768 YJGSZUGPTNLKRX-UHFFFAOYSA-N 441.358 6.626 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(OCCCC)c(OC)c2)SC1=Nc1nccs1 1772733112 HFYXLNKLRAODKS-MUPZJUBSSA-N 429.567 5.121 30 10 IKEE CN(C)c1ccc(/C=C2/SC(=Nc3ccncc3Cl)N(C3CCCCC3)C2=O)cc1 1772737016 MVBPHCFXQKKTRI-OMYHDSEFSA-N 441.000 5.738 30 10 IKEE CCCCCCCC/C=C\CCCCCCCC(=O)ON1C(=O)c2ccccc2C1=O 1772791064 KFYVCOHFFRLTQP-KTKRTIGZSA-N 427.585 6.778 30 10 IKEE CCCCCCCCCCNC(=O)c1c2c(nc3ccc(Br)cc13)CCC2 1859577673 INWNYEVFYIVLBG-UHFFFAOYSA-N 431.418 6.357 30 10 IKEE CCOC(=O)c1sc(NC(=O)c2ccc3oc(-c4cccs4)nc3c2)c(C#N)c1C 1859735891 BEMHDDSTZKEJDI-UHFFFAOYSA-N 437.502 5.227 30 10 IKEE Cc1ccc(N(C(=O)c2cccc(C#N)c2)C2CCN(Cc3ccccc3)CC2)cc1F 1859978027 SSXJEOKHJYODOC-UHFFFAOYSA-N 427.523 5.317 30 10 IKEE N#Cc1cccc(C(=O)N2CC=C(c3ccc(OC(=O)c4ccc5cc[nH]c5c4)cc3)CC2)c1 1860684996 PGXAMHFVXXWDDA-UHFFFAOYSA-N 447.494 5.188 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 1862379432 BLVJXNMEQVKRPH-UZLBHIALSA-N 446.330 5.059 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(C(C)C)cc1 1862381278 WKVZABKZOQYUHJ-FQEVSTJZSA-N 432.347 6.105 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc3cc[nH]c3c2)cc1C 1862407508 PTLMMMQUZLNQPW-HSZRJFAPSA-N 430.504 5.006 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@H]2c2ccc(O)cc2)c1 1862430960 WIQDDXATAAQCIL-JOCHJYFZSA-N 433.891 5.133 30 10 IKEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccccc2)cc1 1862441890 NOYSWOROIQFNGJ-MWTRTKDXSA-N 447.918 5.688 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCC2=CCCCC2)c1 1862442375 IPQINBYNAGYIMO-HSZRJFAPSA-N 435.951 6.117 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccccc1Br 1862453269 VZLYBHJWDLTQRF-KZULUSFZSA-N 448.744 5.479 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCc2ccccc2)c1 1862476433 LDSHEMFOCNKQTN-VWLOTQADSA-N 441.527 5.215 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccccc1C 1862490032 MIWVDBHIYUQVQA-RUZDIDTESA-N 433.592 6.551 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccc(F)cc2)cc1 1862501948 OGRMJRHHNQGPDK-DEOSSOPVSA-N 447.481 5.403 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccccc2C)cc1 1862516027 XTJLZLOGXQWJLS-VWLOTQADSA-N 441.527 5.562 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2cccc(OC)c2)cc1 1862530530 RUSBJUQVLUUCFH-CJAUYULYSA-N 441.527 5.597 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc3ccccc23)cc1 1862531317 LITJAFLRGVARSA-SANMLTNESA-N 439.555 6.313 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2Cl)cc1 1862535867 LWNDQHIGPPIBLH-OAQYLSRUSA-N 437.948 5.742 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2Cc2ccccc2)c1 1862543720 NIVGVDLOBPHEGM-AREMUKBSSA-N 437.539 5.652 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccccc1[N+](=O)[O-] 1862547084 MERWESUVMZTSNT-HSZRJFAPSA-N 448.519 5.242 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1c(Cl)cccc1Cl 1862553125 HTVCSDAVSHDPFY-OAQYLSRUSA-N 444.358 5.861 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(Cl)cc1Cl 1862598183 PAWYNASEPZZMDX-IBGZPJMESA-N 434.319 5.323 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccccc1 1862614692 FHUGPMORCTWGFR-UKILVPOCSA-N 447.619 6.921 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1c(Cl)cccc1Cl 1862624384 WXOVAIGHHNGXCT-HXUWFJFHSA-N 446.374 6.279 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C2CCCCC2)cc1 1862648789 JUKLWFXIOGZIPH-VWLOTQADSA-N 425.528 6.059 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCc2ccccc2)c1 1862674045 ROMIYYHTKAGGID-XMMPIXPASA-N 445.490 5.045 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cccc(Cl)c2)c1 1862674337 MCPHJELTQVIOGX-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862684236 RVNLKLQMNHOQDD-GAJHUEQPSA-N 439.527 5.772 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2c(F)cccc2Cl)c1 1862705344 VUHSKOQLSWOJKR-FQEVSTJZSA-N 431.891 5.112 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CC(C)C)cc1 1862707760 DGNVAEJLSPLQOV-HSZRJFAPSA-N 437.536 5.108 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(CC)cc1 1862723895 HCBLFCJBRTVQND-VWLOTQADSA-N 425.528 5.904 30 10 IKEE CCCCOc1ccc(NC2=C(c3cccs3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1863110449 PAXDUGWMWIWEQU-UHFFFAOYSA-N 443.528 5.195 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccccc2OC)C1=O 1863430498 FXLPVRCPBMCJLJ-UHFFFAOYSA-N 431.536 5.119 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(OCc3ccccc3)cc2)=C(c2ccc(F)c(C)c2)C1=O 1863458906 VRZUOSSVWDPGMV-UHFFFAOYSA-N 442.490 5.091 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(NC(C)=O)cc2)C(=O)N(CC(C)C)C1=O 1863544496 KIJPAGXYEMSKRX-UHFFFAOYSA-N 441.616 5.111 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(OCCC)cc2)C(=O)N([C@@H](C)CC)C1=O 1863685441 PXENGUFRUGHAQU-NRFANRHFSA-N 442.644 6.084 30 10 IKEE Cc1nc(Nc2ccc(C#N)cc2)cc(N2CCc3ccccc3[C@H]2c2cccc(F)c2)n1 1868496590 DCOYZKLFHCICON-HHHXNRCGSA-N 435.506 5.692 30 10 IKEE CCCCCCCCCCn1cc(OCc2c(C)noc2C)c(=O)cc1CN1CCCC1 1870567559 YROUBRWXZJSGMQ-UHFFFAOYSA-N 443.632 5.769 30 10 IKEE CCCCCCCCn1cc(OCc2cccc(C)c2)c(=O)cc1CN(C)CCCC 1870621126 RJDYBZSTNMXGNC-UHFFFAOYSA-N 426.645 6.328 30 10 IKEE C=CCOc1cn(Cc2ccncc2)c(CNc2ccc(Cc3ccccc3)cc2)cc1=O 1870809425 BUOIQRFDKOTXKF-UHFFFAOYSA-N 437.543 5.059 30 10 IKEE CCCCCCCOc1cn(CCCOC(C)C)c(CNc2ccc(C)cc2)cc1=O 1870837635 PZFWPAPLLCGGPL-UHFFFAOYSA-N 428.617 5.933 30 10 IKEE Cc1ccc(Oc2ccc(-c3nc(C)c(C(=O)Nc4cccc(C#N)c4)s3)cc2)cc1 1871278266 SOLKTIKLZUVCIB-UHFFFAOYSA-N 425.513 6.343 30 10 IKEE CC[C@H](C)N1COc2ccc3c(c2C1)O/C(=C\c1cc(Br)ccc1OC)C3=O 1871351977 KHHSJXOMGQWTLE-NLLJVSSUSA-N 444.325 5.024 30 10 IKEE CC(=O)Nc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)c1 1871364760 IYOWCXMZYPGHGN-JJFYIABZSA-N 433.847 5.134 30 10 IKEE COc1ccccc1/C=C1\Oc2c(ccc(OC(=O)CCc3ccc(Cl)cc3)c2C)C1=O 1871368300 DYKCIRLMNGZOKT-HAHDFKILSA-N 448.902 5.811 30 10 IKEE Cc1cc(C(=O)Oc2ccc3c(c2C)O/C(=C\C=C\c2ccccc2)C3=O)ccc1[N+](=O)[O-] 1871373590 NVMABJXADNRTKF-FYPXMSKISA-N 441.439 5.603 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2)C3=O)c1 1871389497 YSLARDFPBCHQRJ-XKZIYDEJSA-N 428.440 5.146 30 10 IKEE CCCCCOc1ccc2c(c1C)O/C(=C\c1cc(Br)ccc1OC)C2=O 1871399946 XIAREFOGSRQCJH-MOSHPQCFSA-N 431.326 5.951 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1sccc1C)C2=O 1871402975 QRXMXAHCRSXYLJ-CPEHUTGBSA-N 447.556 5.950 30 10 IKEE Cc1ccccc1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O 1871409299 KUNHLJCDEBYJTJ-ICODJCHTSA-N 447.918 5.979 30 10 IKEE CCc1ccc(OCCCOc2ccc3c(c2)O/C(=C\c2ccc(OC)cc2)C3=O)cc1 1871413034 QXBCJRCSSAFNLO-ONUIUJJFSA-N 430.500 5.722 30 10 IKEE Cc1cc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2)cc2c1C(=O)/C(=C/c1ccccc1)O2 1871415113 SVMRXXVPWWHLRM-NXUSMQHESA-N 433.891 5.671 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1ccccc1 1871822712 WIMACPWLGRNIMY-DEOSSOPVSA-N 442.625 5.403 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[C@@H](C)CC)S(=O)(=O)CCCC 1871958478 BRDUPGCSMWGVBS-HNAYVOBHSA-N 449.444 5.355 30 10 IKEE C=CCN([C@@H](C(=O)Nc1cc(C)ccc1C)[C@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872571862 MXSLTRNAQVEAAP-NTKDMRAZSA-N 442.625 5.150 30 10 IKEE N#C[C@H](C(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc3ccccc3c2)cs1 1872760264 KWZXJNJYTUVRSO-OGECGYFKSA-N 425.469 5.761 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCOCCCC)=C(c2ccccc2C)C1=O 1873104674 HJZARWUIEBJQMW-UHFFFAOYSA-N 428.617 5.232 30 10 IKEE N#Cc1nc([C@@H]2C[C@H]2c2ccccc2)oc1N/N=C/c1cccc(OCc2ccccc2)c1 1873471015 URGMFKKQCBMGLP-CUQFQFCUSA-N 434.499 5.842 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccccc1Cl 1874214576 STTLILUTYXGOKK-BUVRLJJBSA-N 447.391 5.757 30 10 IKEE CCCSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1cc(Cl)ccc1O 1874259236 QDCXBAHKOPCQNP-ZVHZXABRSA-N 444.988 5.553 30 10 IKEE CCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(Cl)cc1Cl 1874270475 CVFMUMBNZINEEU-AFUMVMLFSA-N 441.387 6.323 30 10 IKEE CCSc1nnc(COc2ccc(OC)cc2)n1/N=C/c1c(OC)ccc2ccccc12 1874292898 RKBBMIXYKSYDKX-MFKUBSTISA-N 448.548 5.022 30 10 IKEE Cc1cccc(/C=N/n2c(COCc3ccccc3)nnc2SCc2ccc(F)cc2)c1 1874352874 GEQQZHMGXRQYAR-JFLMPSFJSA-N 446.551 5.617 30 10 IKEE Fc1ccccc1/C=N/n1c(SCCc2ccccc2)nnc1-c1ccccc1Cl 1874365773 UKZXEWAUBLRQNL-WGOQTCKBSA-N 436.943 5.955 30 10 IKEE Cc1ccccc1/C=N/n1c(Cc2ccc(F)cc2)nnc1SCc1ccccc1C 1874379297 KVUJUSHNIDHTPB-JVWAILMASA-N 430.552 5.799 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2[C@@H](C)c2ccccc2)cc1 1874393599 RHRJCIAUXGAMFH-FQNOVECQSA-N 430.552 6.052 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccccc1O 1874401545 PSIMHJWXLPLWGH-CIRUFVMISA-N 448.979 5.963 30 10 IKEE COc1ccccc1/C=N/n1c(Cc2ccccc2)nnc1SCc1ccc(C)cc1 1874415230 GAQFSQPVSXGJBZ-YZSQISJMSA-N 428.561 5.360 30 10 IKEE Cc1ccccc1CSc1nnc(C2CCCC2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874452437 VSJUNZANQURGPX-DHRITJCHSA-N 445.419 6.725 30 10 IKEE CCCN(CCC)C(=O)CSc1nnc(C2CCCC2)n1/N=C/c1ccccc1Cl 1874456404 PWIJECDXTIVOJB-BUVRLJJBSA-N 448.036 5.212 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2-c2ccco2)cc1 1874466825 DGVBQURIYVVLLP-XIEYBQDHSA-N 432.549 5.544 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(C)n2/N=C/c2ccc(C(C)(C)C)cc2)c1 1874530739 YTAOTVDAPRAEHZ-AFUMVMLFSA-N 435.597 5.114 30 10 IKEE CCOC(=O)c1ccc(COc2c(/C=C/C(=O)c3cccc(Cl)c3)cccc2OC)o1 1874577509 QWVDZZOMZUWHPN-ZRDIBKRKSA-N 440.879 5.593 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cc(Cl)ccc2OCc2c(F)cccc2Cl)c1 1874580384 LCBHWYTXBYWVHJ-CSKARUKUSA-N 429.318 7.224 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)NC2CCCCC2)c1 1874580569 UQBNNQMRPRPFCI-ZRDIBKRKSA-N 425.956 5.681 30 10 IKEE Cc1cccc(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c1 1874581917 MUZYEOLJTPVHIP-SAPNQHFASA-N 427.544 6.206 30 10 IKEE O=C(/C=C/c1c(OCc2ccccc2Cl)ccc2ccccc12)c1cccc2ccccc12 1874583182 AYDNTJWPILHQHS-ISLYRVAYSA-N 448.949 8.122 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 1874602012 PFEOBRYHBNKGPK-JLHYYAGUSA-N 430.460 5.125 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 1874605908 LORQWYFFZSXKNF-UXBLZVDNSA-N 428.271 6.377 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1 1874609384 OHEGBTNJZFHELH-UUILKARUSA-N 441.296 6.072 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccccc1C 1874610310 LWIWLULINTZUBI-XNTDXEJSSA-N 443.499 6.115 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1Cl 1874615946 FHZJQFKKKIKWLU-UXBLZVDNSA-N 447.745 7.131 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2OC)cc1 1874616571 IMUXBXVQNVQZJE-OQLLNIDSSA-N 429.516 5.480 30 10 IKEE C=C(C)COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1Br 1874635310 LBLIROXDPUYWFP-DHZHZOJOSA-N 427.382 6.906 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc(F)c2)c([N+](=O)[O-])c1)c1cc(Cl)ccc1Cl 1874637509 DECMTRNTCPCOQZ-XBXARRHUSA-N 446.261 6.516 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)COc3ccccc3)c2)cc1 1874695935 ZVIIRRXIYNFIST-GHRIWEEISA-N 444.527 5.918 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2cccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 1874698068 JUKCPEFEYJGNNP-CXUHLZMHSA-N 445.471 5.564 30 10 IKEE Cc1ccccc1CCC(=O)Oc1cccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1 1874702640 BSMKDCIZFBMDEU-UKTHLTGXSA-N 439.338 6.736 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3cc4ccccc4n3C)c(OC)c2)c1 1875104165 JOERFEQPOLPRJK-ACCUITESSA-N 441.483 5.311 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)cc1C 1875107559 WSUVYWYSSCARAW-WUXMJOGZSA-N 431.444 5.336 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)Cc1cc(C)ccc1C 1875119970 VSVUWIXJUWZBIH-WYMLVPIESA-N 444.527 5.755 30 10 IKEE Cc1ccccc1CCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1Cl 1875125911 HDZFCWFBXCJVQE-AWNIVKPZSA-N 439.338 6.736 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)c1ccc(C)cc1 1875131830 PXWLEHGFRGTFAC-UKTHLTGXSA-N 430.500 5.744 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3cccc(C)c3C)cc2)cc1 1875137527 QPLSMXOYQPSFKP-LICLKQGHSA-N 444.527 5.973 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2[N+](=O)[O-])c1 1875139304 BTKKQACVLXYIFM-PKNBQFBNSA-N 431.444 5.336 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc1OC 1875152826 SVULDNBXHWOEJK-PKNBQFBNSA-N 448.918 6.268 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)ccc1OC(=O)C(C)(C)C 1875164568 POKJVROFWSFAAC-GZTJUZNOSA-N 444.527 6.725 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)c1ccc(C)cc1 1875166285 DTZFSQXTBFOLSW-NTEUORMPSA-N 444.527 6.134 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)c1ccncc1 1875166446 HMKIDXPHWPMIEA-RMKNXTFCSA-N 431.488 5.221 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)Cc1ccccc1F 1875169915 FGWJOOMFCATXGP-ZRDIBKRKSA-N 446.518 6.112 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)c3cccc(F)c3)cc2)c1 1875171776 MQPBOZIBFQKLEG-GXDHUFHOSA-N 434.463 5.738 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1Cl)c1ccccc1F 1875189624 ZFIBOKJVQSIWGK-WEVVVXLNSA-N 449.692 6.901 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)ccc1OC(=O)c1sccc1C 1875194318 PQRJYPMXIUMGQC-QPJJXVBHSA-N 442.920 5.842 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@](C)(C#N)C(C)(C)C(F)(F)F 1878633099 XBTIQNVKGJCLAX-QGZVFWFLSA-N 435.284 6.061 30 10 IKEE C#C[C@@H]1CC12CCN(C(=O)c1cc(-c3ccccc3)nc3ccc(Br)cc13)CC2 1891841087 IDQDRSMEXOCSNS-GOSISDBHSA-N 445.360 5.540 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(F)ccc1Br 1898381518 XRKKRKDFMBVZDS-ZWKOTPCHSA-N 429.374 5.488 30 10 IKEE CC(C)[C@@H]1C[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)CN1Cc1ccccc1 1912206619 TYXCEIVJIPVRDE-REWPJTCUSA-N 426.565 5.117 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@H](CNC(=O)OC(C)(C)C)CC(C)C)NCCC 1922072849 YJKCTMPNKOCJLY-RPWUZVMVSA-N 432.649 5.705 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](O)c1cc(Br)c(Cl)s1 1922078279 VLVHRMBJKWQCAU-ZWKOTPCHSA-N 444.822 5.339 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)C1CC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1922123662 CAMCAXORPMOZQJ-HSZRJFAPSA-N 428.617 5.165 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@@H]1Nc1ccc(C#N)c(Br)c1 1924922759 WGHHZQUIZHIIIL-MAUKXSAKSA-N 434.378 5.206 30 10 IKEE CC1(C)CC[C@@](C#N)(Nc2ccc(Br)cc2)[C@H](CNC(=O)OC(C)(C)C)C1 1927168104 ZETHJIGXFJIUCG-BTYIYWSLSA-N 436.394 5.474 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCC[C@@H]2CNC(=O)OC(C)(C)C)cc1 1944589390 QBKYWYJBJFSBBM-HOYKHHGWSA-N 429.561 5.324 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]1[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1978209442 KHBWSYQUFRKKKO-VGOFRKELSA-N 435.952 5.373 30 10 IKEE COc1ccc(-c2oc(N=CC(C)=Cc3ccccc3)c(C#N)c2-c2ccc(OC)cc2)cc1 2040466877 QEHAEJLYBIUBNS-UHFFFAOYSA-N 448.522 7.308 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)C2=Cc3ccccc3C2)C1 2041901502 AOWABUQEFSQEOZ-MHZLTWQESA-N 433.548 5.039 30 10 IKEE CCCCCCCCOc1ccc(C=C(C(C)=O)C(=O)Nc2cc(Cl)ccc2C)cc1 2053614165 DLMGCQGOUGKKMW-UHFFFAOYSA-N 441.999 6.999 30 10 IKEE C=C(c1ccccc1)[C@H](NCCC)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2076570490 ATPUTMPWWXXUPX-RPBOFIJWSA-N 437.628 5.093 30 10 IKEE Cc1nn([C@@H](c2ccc(C(F)(F)F)cc2F)C2(C)CC2)c(Br)c1C=NO 2079881571 WBPJQJLRRQHNHW-AWEZNQCLSA-N 434.231 5.310 30 10 IKEE COc1ccc([C@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C(C)(C)C)c(F)c1 2080064467 SYTXFXLZVMAQQP-KRWDZBQOSA-N 438.341 5.288 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)cc(Br)c1)NCC 2110497243 FUJARLGQSVKKEB-ROUUACIJSA-N 445.829 5.483 30 10 IKEE C=CCCCCCC[C@@H](NN)c1cc(Br)ccc1I 2141919729 RXTLJVIWWWLGJY-OAHLLOKOSA-N 437.163 5.085 30 10 IKEE CC1CCC2(CC1)CSC(=NCc1scc(Br)c1Br)N2 2150565966 YLVPKYGMZUNFCX-UHFFFAOYSA-N 438.254 5.414 30 10 IKEE C[C@H](Nc1cc(Br)cc(F)c1C#N)[C@H](NC(=O)OC(C)(C)C)c1ccco1 2172874477 PFLGZMLPJSIMJF-GTNSWQLSSA-N 438.297 5.119 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(C)c(Br)cc1C 2201064552 YMWIRTHELCNZOA-WOJBJXKFSA-N 437.422 5.413 30 10 IKEE CCCCC#CC[C@H](NCCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2203819802 QJNZOCPYZBAFOH-FQEVSTJZSA-N 437.422 6.421 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C1 2214836265 JCDMQFBVORLFSN-HOOSLVGPSA-N 429.561 5.356 30 10 IKEE C=CCN(C[C@@H](NCCC)c1sc(C)c(Br)c1C)C(=O)OC(C)(C)C 2218932343 XTWKJEDYPPWQKK-OAHLLOKOSA-N 431.440 5.591 30 10 IKEE CCN[C@H](C#Cc1cccc(Cl)c1)c1scc(Br)c1Br 2239559334 PRLFUBJVZZAWGX-CYBMUJFWSA-N 433.596 5.629 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)C[C@H]2CCC[C@H]21 2250797871 YASUXWHXMPNMKS-ONJIFJTESA-N 428.617 5.211 30 10 IKEE C=CCCC1([C@H](N)Cc2cc(Br)ccc2Cl)CN(C(=O)OC(C)(C)C)C1 2266319824 GYYRSJPPJKECQX-QGZVFWFLSA-N 443.813 5.176 30 10 IKEE C=C(C)CCCC[C@@H](NCC)c1ccc(I)c(Br)c1 2271792192 SIDXUGPVXQTANB-MRXNPFEDSA-N 436.175 5.841 30 10 IKEE CN1C(=C2SC(=NCCc3ccccc3)N(C3CCCCC3)C2=O)Sc2ccccc21 2295201991 XXKXHEMQEIRIBP-UHFFFAOYSA-N 449.645 5.904 30 10 IKEE COCCCN1C(=O)C(=O)C(=C(O)c2ccc(Cl)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 2296124546 IEELTGDAKUDOCY-OAQYLSRUSA-N 441.955 5.096 30 10 IKEE CN[C@@H](C#Cc1ccc(Br)cc1)c1ccc(NC(=O)OC(C)(C)C)c(Cl)c1 2296307377 TTYRMHVZIAOAMB-SFHVURJKSA-N 449.776 5.762 30 10 IKEE Cc1cc(-c2ccc(C(=O)C=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)o2)ccc1Cl 2296817786 XPTDZEAXBMLZNZ-UHFFFAOYSA-N 433.847 6.973 30 10 IKEE COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)C(=Cc3ccc(OC(F)F)cc3)C[C@H]12 2297480250 SDYMIDMUFXWPCF-ANNHOSHMSA-N 438.514 6.415 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2302574330 NBKKLHGHRIBVCG-ZCNNSNEGSA-N 435.609 5.532 30 10 IKEE COc1ccccc1C=C1Oc2cc(OC(=O)c3ccc(C(C)(C)C)cc3)ccc2C1=O 2314438509 VORRFCFVZVPCSS-UHFFFAOYSA-N 428.484 5.828 30 10 IKEE O=C(C=Cc1ccc(-c2ccc(Br)cc2)o1)c1ccc(Br)cc1 2314456926 JMOTYBXNZIRJTM-UHFFFAOYSA-N 432.111 6.368 30 10 IKEE C=CCOc1ccc(C=C2SC(=Nc3nc(C)cs3)N(c3ccccc3)C2=O)cc1 2314544016 RGAGBZRUBNCXEW-UHFFFAOYSA-N 433.558 5.825 30 10 IKEE CC[C@]1(C)N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2315231260 LBQXJYCWLBNOAN-BJKOFHAPSA-N 447.551 5.639 30 10 IKEE C=C(C)CN1C(=O)[C@@H](C)Oc2cc(NC(=O)C=Cc3ccc(Cl)cc3Cl)ccc21 2320465174 NOFBILSIMGYXAD-CQSZACIVSA-N 431.319 5.335 30 10 IKEE Cc1c(OCc2ccc(F)cc2Cl)ccc2c1OC(=Cc1ccc(N(C)C)cc1)C2=O 2321862956 WAFSFMIHDDKNJR-UHFFFAOYSA-N 437.898 6.049 30 10 IKEE O=C1C(=Cc2c(F)cccc2Cl)Oc2c1ccc1c2CN(Cc2ccc(F)cc2)CO1 2322051943 IMMUJMHMVOVALI-UHFFFAOYSA-N 439.845 5.587 30 10 IKEE CCCCC[C@@H](CC)N1COc2ccc3c(c2C1)OC(=Cc1cccc(Cl)c1)C3=O 2322072898 URKXBDVLGHMJEQ-LJQANCHMSA-N 425.956 6.467 30 10 IKEE C[C@H](c1ccccc1)N1COc2ccc3c(c2C1)OC(=Cc1cn(C)c2ccccc12)C3=O 2322092380 UVRASTRIAFDJCZ-GOSISDBHSA-N 436.511 5.708 30 10 IKEE COc1ccc([C@H](C)N2COc3c(cc4c(c3C)OC(=Cc3cccs3)C4=O)C2)cc1 2322437176 FBDDOQOKRWKWHK-INIZCTEOSA-N 433.529 5.594 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(C(C)C)cc2)c1OCCc1ccccc1 2322736737 PVJBHTYQQILRLP-UHFFFAOYSA-N 434.963 6.990 30 10 IKEE Cc1c(OC(=O)c2cc3cc(Cl)ccc3o2)ccc2c1OC(=Cc1cccs1)C2=O 2322846810 WDYQWTAEMGWXOQ-UHFFFAOYSA-N 436.872 6.292 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OC(=O)CCCOc4ccccc4)c3C)C2=O)cc1 2323181794 CPQLHZMMRMFSAL-UHFFFAOYSA-N 442.511 5.938 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc4c(c3)CCCC4)cc2)cc1 2323419768 YCOKOOSJGUAAIX-UHFFFAOYSA-N 439.555 6.041 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cccc(C)c3C)c(Cl)c2)cc1 2323465043 ZPFTYTSVJVAWAZ-UHFFFAOYSA-N 447.962 6.433 30 10 IKEE Cc1cc(OC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc2c1C(=O)C(=Cc1cccc(F)c1)O2 2323596008 XUPGWGUOLDTSLL-UHFFFAOYSA-N 445.402 5.277 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2323829114 XRGDIDYBMRDVQS-UHFFFAOYSA-N 448.902 6.273 30 10 IKEE COc1ccc(-c2csc(NN=Cc3cc(Cl)c(OC)c(Cl)c3OC)n2)cc1 2323854656 KFYHZBZMFYPHIR-UHFFFAOYSA-N 438.336 5.589 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OCC(=O)Nc1ccccc1C 2324173449 JKTCGXPEGVTALD-UHFFFAOYSA-N 443.543 6.041 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1 2324332636 BAPMHQPAMWKBSA-UHFFFAOYSA-N 427.544 6.142 30 10 IKEE Cc1cccc(OCCCOc2ccc3c(c2)OC(=Cc2cn(C)c4ccccc24)C3=O)c1 2324563648 DJFULTVDXRLYCC-UHFFFAOYSA-N 439.511 5.951 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc(Cl)c1OCC(N)=O 2324582525 FSMXZRXHEQFUBW-UHFFFAOYSA-N 429.944 5.105 30 10 IKEE CCCC[C@H](Oc1ccc2c(c1C)OC(=Cc1cn(C)c3ccc(OC)cc13)C2=O)C(=O)O 2324781200 PMMHNVWVVICHEH-QFIPXVFZSA-N 449.503 5.134 30 10 IKEE CCOc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)cc1 2324825617 SXDAEBOMODSEDR-NRFANRHFSA-N 432.545 5.724 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(OC)c(OC)c3)n2)cc1C 2324825643 YXELCDSDWJZSBX-IBGZPJMESA-N 448.544 5.342 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(O[C@H](C)C(=O)Nc3ccc(C#N)cc3)c2C)C1=O 2325306881 HAVNBWUCDVGKBI-GOSISDBHSA-N 438.483 5.197 30 10 IKEE O=C(Cc1ccccc1[N+](=O)[O-])Oc1cccc(C=CC(=O)c2ccc3ccccc3c2)c1 2325700057 QEHYHHBWWNNYHK-UHFFFAOYSA-N 437.451 5.792 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(Cl)c(Cl)c3)c2)cc1 2325738303 OSHUAACYCHIHSR-UHFFFAOYSA-N 425.311 6.346 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)c2cncc(C)c2)c1 2325756314 LNOXYPRBLIOMEH-UHFFFAOYSA-N 442.298 5.821 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1cccc(C=CC(=O)c2c(C)cc(C)cc2C)c1 2325764619 LNTQFAGPVLSPRB-UHFFFAOYSA-N 430.500 5.744 30 10 IKEE CCOc1ccc2ccccc2c1C=Nn1c(CC)nnc1SCc1ccc(C)cc1 2326296226 BARHCFFYFOZJLA-UHFFFAOYSA-N 430.577 5.875 30 10 IKEE C=C(C)CSc1nnc(Cc2cccc3ccccc23)n1N=Cc1cccc2ccccc12 2327745695 WZFWMTUPJDZGAH-UHFFFAOYSA-N 448.595 6.726 30 10 IKEE CCCCC1CCC(c2nnc(SCCCO)n2N=Cc2ccc(F)cc2F)CC1 2328194024 XMFVEDGSOHSGDR-UHFFFAOYSA-N 436.572 5.377 30 10 IKEE CCSc1nnc(CCc2ccc(OC)cc2)n1N=Cc1c(Cl)cccc1Cl 2328574880 NEEWTSAKMKWZKF-UHFFFAOYSA-N 435.380 5.373 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3F)n2N=Cc2ccccc2O)cc1C 2329423968 OKKNOVFOZJVRCX-UHFFFAOYSA-N 446.551 5.505 30 10 IKEE C=CCSc1nnc([C@H](C)c2ccccc2)n1N=Cc1cccc(Br)c1 2330121892 XCXVESIOONOAHH-OAHLLOKOSA-N 427.371 5.353 30 10 IKEE COc1cccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2C)c1 2330458270 JBOMYCSBPGKYGX-UHFFFAOYSA-N 428.561 5.360 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)ccc1OC(=O)Cc1ccc(OC)cc1 2330794740 VHHOXMGOSICEKX-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3-c3ccccc3)cc2)cc1C 2330855643 PLAYVKMOWSPNDS-UHFFFAOYSA-N 448.518 6.786 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1Cl)c1cccc(Cl)c1 2330920459 UIROAPDGCPGSDY-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)cc3)cc2OC)cc1 2330992485 PJJZSDMHXMHQSD-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE COc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2[C@@H]2CCCO2)cc1 2331007403 UDBLBYHKHPFDKP-IBGZPJMESA-N 446.935 5.105 30 10 IKEE CCc1ccc(C=Nn2c(SCC(=O)Nc3ccc(C)cc3)nnc2C2CCCC2)cc1 2331046588 XLSFTJFRFYYQAJ-UHFFFAOYSA-N 447.608 5.420 30 10 IKEE Oc1ccccc1C=Nn1c(SCc2c(F)cccc2Cl)nnc1C1CCCC1 2331103730 ZIJWDPVYAOMSAR-UHFFFAOYSA-N 430.936 5.608 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)c1ccccc1C 2331138246 VJZYTGZKNZALKV-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)Cc1ccccc1 2331142272 HJNFITVBWJLJCD-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3)c(Cl)c2)cc1 2331301086 USLUEDMHHNPDBN-UHFFFAOYSA-N 434.919 6.173 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OCCC)cc2)cc(OC)c1OC(=O)C(F)(F)F 2331311108 QRVKUJCBKBXRIZ-UHFFFAOYSA-N 448.437 5.576 30 10 IKEE Cc1cccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C(C)(C)C)c1 2331399913 MWQOBTZCCIGRSL-UHFFFAOYSA-N 433.408 6.365 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CC(C)C)nnc1SCc1ccccc1Cl 2331456947 ZIWJWRPGTJZYAL-UHFFFAOYSA-N 441.000 5.869 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(F)c2)cc(OC)c1OC(=O)CCCC 2331467444 SBTPOQSDVJVRGJ-UHFFFAOYSA-N 426.484 5.563 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)c1cccc(OC)c1 2331539289 JAHJIKJHPGENST-UHFFFAOYSA-N 446.474 5.687 30 10 IKEE COc1cc(C(=O)C=Cc2ccc(OC(=O)C(C)(C)C)c([N+](=O)[O-])c2)c(OC)cc1Cl 2331690085 IGJNTPYKKHDLJG-UHFFFAOYSA-N 447.871 5.113 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)cc3OC)cc2OC)cc1 2331729923 DPSVXBGHPRYVCM-UHFFFAOYSA-N 446.499 5.390 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)cc(Cl)c1OC(=O)CC(C)C 2331857320 BIZPTBUIPZMTFR-UHFFFAOYSA-N 441.738 6.503 30 10 IKEE C=CC[C@H]1CCCC[C@@H]1NCc1ccc(I)c(Br)c1 2349855210 MCAAWBBSBFYDGK-BBRMVZONSA-N 434.159 5.278 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H](Nc2c(Br)cccc2C#N)[C@@H]1C(F)(F)F 2370175720 SLFNJSQPVUIESV-DZGCQCFKSA-N 448.283 5.063 30 10 IKEE C=CCOc1c(Br)cc(/C=C2/N=C(c3ccccc3C)OC2=O)cc1OCC 2059346 MRUDZENISIYLSZ-LDADJPATSA-N 442.309 5.066 30 10 IKEE CCCCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1cccs1)C2 20885121 ARJJYDSFMWYUBJ-DNOBIOAJSA-N 444.600 6.907 30 10 IKEE CSc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)cc1 21228751 PDMRNOXTEQDRIM-WGDIFIGCSA-N 447.003 7.041 30 10 IKEE O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1cc(F)ccc1F)Nc1ccccc1N2 21238517 KBIRASIJDDYZDU-SGANQWHYSA-N 436.889 6.598 30 10 IKEE Cc1noc2c1[C@@H](c1ccc(Br)cc1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 28051610 HYLJVUKIDKABHT-HRAATJIYSA-N 435.321 5.704 30 10 IKEE COC(=O)c1ccc(COc2ccccc2/C=C\C(=O)c2ccc(OC(F)F)cc2)cc1 34865352 FQUHAZFHFGZLSW-QINSGFPZSA-N 438.426 5.550 30 10 IKEE CSc1ccc(C(=O)/C=C/c2cc(C)c(OC(C)(C)C(=O)OC(C)(C)C)c(C)c2)cc1 38940900 YYPZICPPNBONPZ-NTEUORMPSA-N 440.605 6.421 30 10 IKEE in-vitro C=CCOc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCC)c1 40097555 VLJDUBBXLZZPHG-QHCPKHFHSA-N 431.488 5.376 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccccc1F)C3=O)CN(CCc1ccc(F)cc1)CO2 41586902 LZPRWPSTOMPEHL-QRVIBDJDSA-N 433.454 5.284 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1cn(C)c4ccccc14)C3=O)CN(C1CCCCC1)CO2 41588992 RAALCUXRYJHPBU-CFRMEGHHSA-N 428.532 5.588 30 10 IKEE CCc1nc2scc(-c3ccc4c(c3)CCCC4)c2c(=O)n1Cc1cccc(C#N)c1 96529233 VOXBQCPOFLKSRO-UHFFFAOYSA-N 425.557 5.486 30 10 IKEE C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3cc(C)n(-c4cc(C)on4)c3C)c12 96925865 SGRBVKQBDGAQEO-QXMHVHEDSA-N 439.519 5.383 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2ccc(OCC(C)C)cc2)cc1 100154332 BKSNURIWGUKRJE-UHFFFAOYSA-N 442.625 6.197 30 10 IKEE CCN1C(=O)C[C@@H](C(=O)Nc2ccccc2Cl)S/C1=N\c1ccc(C)c(Cl)c1 100194253 DVNGBTVDDZPYRI-DVCONVQISA-N 436.364 5.282 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1ccc(C)c(NC(=O)CC)c1 100444383 QRNUZCHSDRGRSP-UHFFFAOYSA-N 447.689 6.858 30 10 IKEE CC(=O)/C(=N/Nc1cccc(C)c1)Sc1nnc(-c2ccccc2)n1-c1ccccc1 102659838 JBTUNFLRDJYKFS-VYIQYICTSA-N 427.533 5.349 30 10 IKEE Cc1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 103107540 TUGQIINDJIIWLG-AGGMBTAESA-N 438.310 5.928 30 10 IKEE CCCCCCCCCCCCCCCC(=O)O[C@@H](CC(=O)OC(C)C)C[N+](C)(C)C 137795953 KEGFTSGFVQNRIB-DEOSSOPVSA-N 442.705 6.427 30 10 IKEE CCCN1C(=S)N[C@@H](c2cc(Cl)c(OC)c(Cl)c2)C(C(=O)c2ccccc2)=C1C 169929064 HRXHQCDEIGMUGX-IBGZPJMESA-N 449.403 5.800 30 10 IKEE CCCCCCCCCOc1ccc([C@@H]2NC(=S)N(C)C(C)=C2C(C)=O)cc1OC 169936716 KQJAXPLETHJBCA-QHCPKHFHSA-N 432.630 5.549 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2cccc(C)c2)cc1 169969849 NGIHQFHDSXZHOF-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2cccs2)cc1 169985881 IZXFLQJSLWFZII-IBGZPJMESA-N 425.893 5.193 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@@H]2c2ccccn2)c1 169995998 QHDJEQTVMZOLBQ-XMMPIXPASA-N 436.467 5.026 30 10 IKEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(C)o3)nc2c1 170103646 RSQSZVLTQFSQAU-FQEVSTJZSA-N 447.878 5.209 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccc(OC)c2)c1 170117919 GQJLDSSOKLUACQ-DEOSSOPVSA-N 443.499 5.267 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2cccc(C)c2)cc1 170140221 QYZICKBELVGMAT-HSZRJFAPSA-N 431.463 5.316 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1cccc(C)c1 170141115 PVRSSRNWBJPWSM-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccc(C)c2)c1 170141978 GXBTXFUTBCWVHK-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1cccc(OC(C)C)c1 170152980 QGFYTQNFSHAZIC-QHCPKHFHSA-N 437.536 5.169 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccccc1)c1ccc2c(c1)CCO2 170226969 KUQOZIIFSNEGNM-QFIPXVFZSA-N 431.875 5.058 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2ccccc2)c1 170227501 SNPLUCGYIRWEOZ-QFIPXVFZSA-N 449.890 5.140 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2C)cc1Cl 170272116 QVABALNSEGAQJL-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccco2)c1 170286846 OUTPUGYSGIPKDA-NRFANRHFSA-N 437.879 5.505 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@H]1c1ccco1 170290012 ZVNXPPDBIWZYEF-HSZRJFAPSA-N 431.488 5.406 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@@H]1c1ccc(C)o1 170304761 UTQUZEKERVUDBC-HSZRJFAPSA-N 445.515 5.613 30 10 IKEE C=CCOc1cccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2CCCC)c1 170324016 JDSJZKZFVOZPTQ-QHCPKHFHSA-N 430.504 5.111 30 10 IKEE CCCCCCC[C@@H](NCC)c1cc(Br)ccc1I 232953177 DTMFXSHAHCQTBI-MRXNPFEDSA-N 438.191 6.065 30 10 IKEE Cc1cccc(N2C(=O)/C(=C3\Sc4ccccc4N3C)SC2=Nc2ccccc2C)c1 254512804 UTIRDWYKPIHXFQ-CJKMRZRNSA-N 443.597 6.482 30 10 IKEE COc1ccc(N=C2Sc3nc4c(C)cccc4cc3CN2C2CCCCC2)c(OC)c1 254589791 SHQCJEZNACXXKM-UHFFFAOYSA-N 447.604 6.489 30 10 IKEE CCOc1cc(C=Nn2cnnc2)ccc1OCCOc1ccc(C2CCCCC2)cc1 254822948 BLMMEOKMUZQNLM-UHFFFAOYSA-N 434.540 5.065 30 10 IKEE N#C[C@H](Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1 394539908 SJMXQYNJQKESNL-AWEZNQCLSA-N 444.952 5.651 30 10 IKEE C=CCCCCC[C@@H](NCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 406302698 ZLQRCZRLSVHAJN-LJQANCHMSA-N 425.411 6.583 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(Cl)cc2)c1OC 526607022 LYMFYKZLVUOVGP-QFIPXVFZSA-N 446.890 5.286 30 10 IKEE C=CCNC(=O)Nc1ccc(C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1 586608662 QXZDUMMUUSJYDW-UHFFFAOYSA-N 435.911 5.479 30 10 IKEE C[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)CN1Cc1ccccc1 698947485 UXAVBPUEUGBGAC-KOSHJBKYSA-N 425.960 5.638 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@@](C)(C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)C1 699643651 KGUHIPFUADUXJJ-HOYKHHGWSA-N 435.609 5.486 30 10 IKEE CCCCCCCCCC[C@@H](O)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 703014456 UBBQBTDEAATYEK-HXUWFJFHSA-N 442.438 7.360 30 10 IKEE Cc1nnc(N=C2S/C(=C\C(Cl)=C/c3ccccc3)C(=O)N2C2CCCCC2)s1 1772733750 ANJKLGWEKDLBBO-RHSVRXJKSA-N 445.013 5.906 30 10 IKEE Cc1c(N=Nc2ccc(-c3ccccc3)cc2)c(O)n([C@@H](C)c2ccccc2)c(=O)c1C#N 1772740815 IYJOYOJWJQONIZ-IBGZPJMESA-N 434.499 6.426 30 10 IKEE CCCCCCCCCCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S 1858586757 SBDMUJMMGJPSCJ-QGOAFFKASA-N 430.466 7.335 30 10 IKEE C=CCN(C(=O)/C=C/c1ccc(OCc2ccccc2)cc1)[C@@H](C)CCc1ccccc1 1860036697 HZGFDETYKZFTMN-XGMDJLNPSA-N 425.572 6.315 30 10 IKEE N#Cc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2c(Cl)ccc(Cl)c2Cl)C1 1860884817 JVLHMHOYEWHVDI-CYBMUJFWSA-N 436.726 5.009 30 10 IKEE CCCCCCCCNC(=O)[C@](C)(CC)NC(=O)c1ccc(OCCCC)c(OCC)c1 1861749085 LRAHUGCWRXHLOL-SANMLTNESA-N 448.648 5.639 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2cccc(F)c2)cc1 1862390347 BHHHMUDIUHOQKK-MQVPCNEGSA-N 449.566 6.325 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(CC)cc1 1862474072 JWQCCQUICFXUQN-RUZDIDTESA-N 433.592 6.496 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2cccc(Cl)c2)cc1 1862476895 QCCPLZADWHIBMI-QHCPKHFHSA-N 437.967 6.340 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862501564 FUOSZTHZUCWTGO-AVRWGWEMSA-N 443.518 6.036 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccc(F)cc2)ccc1F 1862502390 YJLJNSXGRYHUQI-HSZRJFAPSA-N 439.502 5.964 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)c1 1862507141 FCWQIXAIJPRPHF-KOSHJBKYSA-N 429.491 5.782 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@H]2c2ccccc2C)ccc1F 1862507254 HPTAIWMFKYUIOS-DEOSSOPVSA-N 445.490 5.100 30 10 IKEE CCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1cccc(C)c1 1862554762 KIDQHKVBJISSSJ-RUZDIDTESA-N 448.607 6.296 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)cc1 1862596438 NTSAYRYZAFPWRT-CUHUQNRHSA-N 449.547 5.338 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccc(C)cc2)cc1F 1862636191 BBOYVPFSKFJCFT-QHCPKHFHSA-N 449.453 5.060 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)cc1 1862677086 YVKKLMFTAZMWIA-FQQGMQMYSA-N 437.511 5.381 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862677394 AZGUPVRJGAFIEL-RUZDIDTESA-N 447.550 6.418 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862678945 SRUZJQJYDTWIGO-IQGLISFBSA-N 443.518 6.289 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2C(C)C)cc1 1862693506 MMLAWICUWTZFFW-HSZRJFAPSA-N 437.536 5.251 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1 1862888659 ZJWMTUUDCMHIPH-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CC(C)c1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(F)cc3F)C2=O)cc1 1862944752 DQRRPHKOEQRAMJ-UHFFFAOYSA-N 443.453 5.356 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cccc(C)c2)=C(c2ccc(C)c(C)c2)C1=O 1863249687 VKJGYCMFLOXJAU-UHFFFAOYSA-N 446.635 6.945 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)NCC[C@@H](C)c1ccc(O)cc1 1866029895 NTVYEHONUFPWGK-RUZDIDTESA-N 431.705 8.264 30 10 IKEE CCCC[C@@H](NC(=O)C[C@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866773468 BDXZVSXPPDMYEZ-BJKOFHAPSA-N 449.595 5.319 30 10 IKEE CC[C@H]1Cc2cc(OC)ccc2N(c2cc(Nc3ccccc3C#N)nc(C(C)(C)C)n2)C1 1868350597 LLLPMKZWXITIDY-SFHVURJKSA-N 441.579 6.118 30 10 IKEE COc1cc2c(cc1OC)[C@@H](C(C)C)N(c1cc(Nc3cccc(C#N)c3)nc(C)n1)CC2 1868466817 FDOWTOCNYFBAEC-AREMUKBSSA-N 443.551 5.177 30 10 IKEE N#Cc1cccc(Nc2cc(N3CCc4cc5ccccc5nc43)nc(-c3cccnc3)n2)c1 1868553660 RMSOLLGUDYWUSA-UHFFFAOYSA-N 441.498 5.396 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3cc4cc(C)ccc4nc32)nc(-c2ccccc2C)n1 1869137093 QABWETWIRREEFT-UHFFFAOYSA-N 447.586 6.181 30 10 IKEE Cc1ccc(-n2nnc(C#N)c2NC(=O)c2c(Cl)ccc(Cl)c2Cl)cc1Cl 1870153705 CANLLDUEDDIHHD-UHFFFAOYSA-N 441.105 5.313 30 10 IKEE C=CCn1cc(OCC(=O)Oc2ccc(CC)cc2)c(=O)cc1CSCc1ccccc1 1870272172 JHHRWGXBOFCVAB-UHFFFAOYSA-N 449.572 5.015 30 10 IKEE CCCCCCCOc1cn(CCCCN(CC)CC)c(CN(CC)CCCC)cc1=O 1870411660 IYKAOIQKNVFUPS-UHFFFAOYSA-N 449.724 5.942 30 10 IKEE C=CCOc1cn(CCc2ccc(F)cc2)c(CNc2ccc(Cl)c(Cl)c2)cc1=O 1870809800 WPCCFXDUJDOFMO-UHFFFAOYSA-N 447.337 5.714 30 10 IKEE CCCCCCCOc1cn(CCCOC)c(CNc2ccc(C(C)(C)C)cc2)cc1=O 1870830693 WPIDZTUBIXHSNM-UHFFFAOYSA-N 442.644 6.144 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccccc1 1871250400 CHOJHZLFATWVFQ-UHFFFAOYSA-N 443.591 6.272 30 10 IKEE CCc1ccc([C@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2cccc(OC)c2)C4=O)cc1 1871354106 HHHCEFGLZOCIRG-OMTSMLQXSA-N 441.527 5.787 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(N(C)C)cc2)C3=O)cc1C 1871372493 VEVXOQIBKVOJOH-IWIPYMOSSA-N 427.500 5.513 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O 1871377808 FFFFNAPWGKGYOB-BKUYFWCQSA-N 431.315 6.485 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O)c1cc(Cl)ccc1Cl 1871381364 QEPACXMORMXGNF-UKWGHVSLSA-N 445.685 6.482 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)c1 1871387150 HDTZLDDIBCSYTO-QFEZKATASA-N 442.511 6.353 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871389376 SATYITRLGIXLOC-HAHDFKILSA-N 442.467 5.454 30 10 IKEE O=C(CCc1cccs1)Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O 1871391708 FLRQJGRBUVHMGD-NDENLUEZSA-N 428.868 5.695 30 10 IKEE CCCCN(CC)Cc1c(O)ccc2c1O/C(=C\c1ccccc1Br)C2=O 1871395777 MDIAFYOEJVMLAE-MOSHPQCFSA-N 430.342 5.393 30 10 IKEE CCn1cc(/C=C2\Oc3c(CN4CCC[C@H](C)C4)c(O)cc(C)c3C2=O)c2ccccc21 1871396556 MIWXNANZMJOLEB-GHRPQRKGSA-N 430.548 5.523 30 10 IKEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1cccs1 1872443984 RBOYLQASFISEJF-FQEVSTJZSA-N 434.627 5.102 30 10 IKEE CCc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2ccc(Br)cc2)cs1 1872765178 JCTOKRIRNRDIGR-QGZVFWFLSA-N 441.350 5.390 30 10 IKEE N#C[C@@H](C(=O)/C=C\c1ccc(Cl)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872769147 KUYCFXBXSVIKGC-VOGXCRAGSA-N 433.747 6.660 30 10 IKEE CC(C)(C)c1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-n4cccc4)cc3)n2)cc1 1872773427 NOTQRFZRDNJBCV-JOCHJYFZSA-N 425.557 6.388 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@@H](C#N)C(=O)c3ccc4cc[nH]c4c3)n2)c1 1872780171 BUSNYIAKZZKSIM-IBGZPJMESA-N 431.517 5.579 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3cccc(Cl)c3)n2)c2ccccc12 1872788607 MFVJEUFHSYKNRA-ZUURVNMSSA-N 444.943 6.515 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc(COc2ccc(C)cc2C(C)(C)C)cc1 1872855756 GQZLAQGRFAQBRJ-UHFFFAOYSA-N 437.668 7.742 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc(CN2CCC[C@H](C(=O)OCC)C2)cc1 1872883630 YJJZTUGHOFWTBI-DEOSSOPVSA-N 430.633 5.332 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Oc3ccccc3)cc2)=C(c2cc(F)cc(F)c2)C1=O 1873316075 WXAIIOWYWSHGEU-UHFFFAOYSA-N 432.426 5.135 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2OCC(C)C)=C(c2cccc(Cl)c2Cl)C1=O 1873342219 YKUCKUXXFAEPPK-UHFFFAOYSA-N 445.346 5.406 30 10 IKEE O=C(N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1873465829 VHSTWEFOCRQRAD-LSDHHAIUSA-N 441.293 6.029 30 10 IKEE CC(C)c1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1cc2ccccc2n1C 1873505207 FOURBJTXWLVZJO-BRJLIKDPSA-N 441.963 5.860 30 10 IKEE C=CCn1c(C(=O)Nc2cc(C)cc(C)c2)cc2c(NCCCOCCCC)ncnc21 1873608381 YIUNBMHLNIECPD-UHFFFAOYSA-N 435.572 5.105 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874253408 AVIUQDYVTVTQNC-ZXVVBBHZSA-N 448.636 6.056 30 10 IKEE C=CCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(OCCC)cc1 1874270319 QABIIAFSIYDXEX-ZXVVBBHZSA-N 442.588 5.971 30 10 IKEE CCCCC1CCC(c2nnc(SCCO)n2/N=C/c2cccc3ccccc23)CC1 1874288653 COVFYYGJVBKSMA-NLRVBDNBSA-N 436.625 5.862 30 10 IKEE Cc1ccc(CSc2nnc(COc3c(C)cccc3C)n2/N=C/c2cccs2)cc1 1874298813 TYUROFHDGOYRJZ-AFUMVMLFSA-N 448.617 6.018 30 10 IKEE COc1ccc(CCc2nnc(SCc3cc(C)ccc3C)n2/N=C/c2ccc[nH]2)cc1 1874307199 KIAZABWAXJOPMK-JVWAILMASA-N 445.592 5.191 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CCc2ccccc2OC)nnc1SCC(=C)C 1874314538 ZLBLZDLCAMPPPR-YZSQISJMSA-N 448.592 5.187 30 10 IKEE CCCSc1nnc(COc2cccc(C)c2C)n1/N=C/c1ccc(C(C)(C)C)cc1 1874324720 UOPFNYXTOMNQQI-WGOQTCKBSA-N 436.625 6.156 30 10 IKEE C=CCSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(Br)cc1 1874367777 NVKCCWJVKOPIHE-CIAFOILYSA-N 433.762 5.521 30 10 IKEE Cc1ccsc1/C=N/n1c(CCc2cccs2)nnc1SCc1ccc(F)cc1 1874368519 FFZLPWCSDJQRBG-YDZHTSKRSA-N 442.610 5.808 30 10 IKEE COc1cccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2C)c1 1874379452 SRGCYSYUGRJQHB-JVWAILMASA-N 446.551 5.500 30 10 IKEE Fc1cccc(/C=N/n2c(COc3ccccc3)nnc2SCCc2ccccc2)c1 1874384423 OHLFELKHVYANBI-YZSQISJMSA-N 432.524 5.213 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccccc3F)nnc2[C@@H](C)c2ccccc2)c1 1874395667 RVMRHRPHHXBOSW-NLTKLDOMSA-N 446.551 5.752 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(CC2CCCCC2)n1/N=C/c1ccco1 1874411334 OIERUCJRFUZTGQ-ZMOGYAJESA-N 432.952 5.961 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2)cc1 1874427838 DMEDDXDQANABFG-ZXVVBBHZSA-N 441.604 5.966 30 10 IKEE Clc1ccccc1CSc1nnc(-c2ccccc2)n1/N=C/c1c[nH]c2ccccc12 1874428545 NVRLVLIGXVQECL-JFLMPSFJSA-N 443.963 6.254 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CCCC2)cc1O 1874456416 QIJVTCCZBIGHHE-FSJBWODESA-N 428.945 5.175 30 10 IKEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3cccc(C)c3)nnc2C(C)(C)C)cc1 1874483605 DCUVSICLWVKLSP-MFKUBSTISA-N 435.597 5.059 30 10 IKEE CCc1ccc(/C=N/n2c(CC(C)C)nnc2SCC(=O)Nc2cc(C)cc(C)c2)cc1 1874489197 FSCLWEAMTJYRAJ-CVKSISIWSA-N 449.624 5.269 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2C2CC2)cc1 1874518496 WDEUHETUUAVWDN-WGOQTCKBSA-N 438.572 6.038 30 10 IKEE C=CCSc1nncn1/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 1874538846 AAHGBSRIIYCXQK-BHGWPJFGSA-N 449.363 5.333 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(S)n1/N=C/c1ccc(OCc2ccc(F)cc2)cc1 1874561272 KRVZITZOUWBGPJ-AEIQVQRHSA-N 432.524 5.319 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3cc(C)cc(C)c3)c2)cc1 1874593438 JZUPOSCDHQRWBU-NTCAYCPXSA-N 441.571 6.560 30 10 IKEE CCN(CC)C(=O)COc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)ccc1OC 1874600972 MCJLFCFGEGLARY-SDNWHVSQSA-N 447.531 5.000 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(OC)c1OCCc1ccccc1 1874603257 MFSNURAWPUIFRM-SAPNQHFASA-N 448.562 7.095 30 10 IKEE CCCOc1c(Br)cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1OCC 1874604084 UNLSLGPFWCSCEO-FMIVXFBMSA-N 443.381 6.412 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCCc1ccccc1 1874610931 TXBKIMKIGAYLQL-MDWZMJQESA-N 433.460 5.130 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc(OC)c1OCc1ccccc1 1874615757 PKHCRKPQUYJFDU-DHZHZOJOSA-N 443.326 6.486 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(Cl)c3)c(OC)c2)cc1 1874616991 DRKLCHDUISHQLF-NTUHNPAUSA-N 436.935 6.613 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(OC)c1OCC(=O)Nc1ccccc1 1874618737 QJVSBVZKGCODGC-FMIVXFBMSA-N 449.478 5.065 30 10 IKEE C=CCOc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc1Br 1874624735 SPQRTTSQZJOCCV-JXMROGBWSA-N 429.354 6.216 30 10 IKEE COc1cc(C(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)c(OC)cc1Cl 1874631248 SMLJTSDQVRBXDR-PKNBQFBNSA-N 438.907 5.841 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)ccc1OCC(=O)OCC(C)C 1874635960 BZHKSFIJEJNVPM-RMKNXTFCSA-N 446.927 5.221 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OCC(=O)Nc2ccccc2C)cc1 1874638869 WPUZUKIKRKHSEH-UKTHLTGXSA-N 435.907 5.571 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccccc3OC)c2)cc1 1874694260 UIJPDMDLBAZQNK-RVDMUPIBSA-N 430.500 5.310 30 10 IKEE COc1ccccc1CCC(=O)Oc1cccc(/C=C/C(=O)c2cc(C)ccc2OC)c1 1874704799 ZYCJMDJDHGOGNR-WYMLVPIESA-N 430.500 5.447 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2cccc(OC(=O)c3ccncc3)c2)cc1Cl 1874716858 MRWNSWOALYXICP-AATRIKPKSA-N 428.271 5.512 30 10 IKEE CC(C)CC(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1Br 1875097418 KGUWPDQVPBAJCT-YRNVUSSQSA-N 441.365 6.176 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)ccc1OC(=O)CCc1ccccc1 1875102940 HOKUELAIDSRVQH-SFQUDFHCSA-N 428.528 6.082 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCOC)c(Br)c2)cc1 1875107059 YGXPZHTXLLSPRX-XYOKQWHBSA-N 445.353 5.630 30 10 IKEE CCC(=O)Oc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1Br 1875115537 IZKIMQKWXRGBCX-SOFGYWHQSA-N 438.115 5.423 30 10 IKEE O=C(COc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1Cl 1875120698 GIGZSGBBBACDOM-UXBLZVDNSA-N 428.818 5.499 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1Cl)c1ccc(Cl)cc1 1875153851 BDUDRYPJHRSKCT-RIYZIHGNSA-N 447.317 7.262 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)CC1CCCCC1 1875159366 ASPRVXFTPVEQTP-MDWZMJQESA-N 444.930 6.650 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1OC(=O)c1ccccc1 1875166137 RVHJKHPBFIVBEH-VAWYXSNFSA-N 448.946 6.698 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)C(C)(C)C)c(OC)c2)c(C)c1C 1875168240 YSKNMWRAMPUWPW-PKNBQFBNSA-N 426.509 5.177 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)c1ccccc1 1875174876 NHQYAKILFJJRFY-ACCUITESSA-N 434.919 6.471 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc(C)cc(C)c3)c(OC)c2)c(OC)c1 1875177711 IJRRPUUHXHOIII-UXBLZVDNSA-N 446.499 5.445 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)Cc1ccc(Cl)cc1 1875184529 FQAJTLOZMKQMGP-YRNVUSSQSA-N 448.946 6.318 30 10 IKEE C=C(COC)[C@H](NCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875650082 LFBYRXDLRXFAPB-WUFINQPMSA-N 447.575 5.059 30 10 IKEE Cc1c(N=[N+]=[N-])cc(C(=O)O)cc1N(C)C(=O)OCC1c2ccccc2-c2ccccc21 1887521046 NPLUQWYTJJNFKC-UHFFFAOYSA-N 428.448 6.020 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(C(F)(F)F)c(F)c3)ccc21 1890534560 XCMVXEJOWPZROZ-UHFFFAOYSA-N 436.405 5.034 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCCC)c2ccc(Br)c(F)c2)C1 1895095409 PDOGLDWKUFNTFM-QGZVFWFLSA-N 427.358 5.242 30 10 IKEE SC[C@@H](CSc1cc(I)ccc1Br)C1CC1 1900790866 AHFZBDRXOOXGIN-VIFPVBQESA-N 429.186 5.102 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc([C@@H](C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)c1 1912153883 DZDLUOIPEFITJS-QGZVFWFLSA-N 430.509 5.536 30 10 IKEE C=C(COCc1ccccc1)[C@H](CCC1CCN(C(=O)OC(C)(C)C)CC1)NCCC 1922065199 LBVPISDTSDUDRL-DEOSSOPVSA-N 430.633 5.555 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1cc(CC)ccc1NC(=O)OC(C)(C)C 1922090889 DMYOKLNJYNLVEV-VWLOTQADSA-N 438.612 6.410 30 10 IKEE CC1(C)CC[C@](C#N)(N(CC2CC2)C(=O)OC(C)(C)C)[C@H](CNC(=O)OC(C)(C)C)C1 1927165137 KQZCTYWOQGFKTM-MHECFPHRSA-N 435.609 5.247 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 1944696494 AHWPULMHDVMZQY-APWZRJJASA-N 433.524 5.106 30 10 IKEE CCCCCCCC[C@@H](NCCC)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1946526753 AXRAYCOPHILFBB-DNQXCXABSA-N 434.665 6.215 30 10 IKEE COc1cc(C)ccc1C(=O)C=Cc1csc(N(C(C)=O)c2cccc(Cl)c2)n1 2042449224 LSVATVNKVQALDL-UHFFFAOYSA-N 426.925 5.694 30 10 IKEE C#CCC[C@H](NCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071349235 MLNGVQMPZGBJPZ-LBNVMWSVSA-N 429.560 5.270 30 10 IKEE Cc1ccc([C@@H](n2nc(C3CCC3)c(/C=N/O)c2I)C2(C)CC2)cc1 2079015715 ZBBMYAPZELYKBT-FNLSEGDXSA-N 449.336 5.261 30 10 IKEE CC(C)(C)[C@@H](c1ccc(C2CC2)cc1)n1nc(C2CC2)c(C#N)c1I 2079023225 RZKYNCWFTKJQNJ-LJQANCHMSA-N 445.348 5.750 30 10 IKEE CC(C)(C)c1nn([C@H](c2ccc(C3CCC3)cc2)C2(C)CC2)c(Br)c1C#N 2079980347 CKUSIFWKTJIJOD-HXUWFJFHSA-N 426.402 6.472 30 10 IKEE CCCc1nc(Br)c(Br)n1CC(CS)(CCC)CCC 2143941971 UOKXDXWEWGPHPR-UHFFFAOYSA-N 426.262 5.877 30 10 IKEE N#C[C@H](C(=O)c1csc(Br)c1Br)c1ccc(F)cc1Cl 2150364210 FMDHXWJFHSQFHT-QMMMGPOBSA-N 437.515 5.556 30 10 IKEE C=CCC1([C@H](NCC)c2c(F)cc(C)cc2Br)CN(C(=O)OC(C)(C)C)C1 2173459037 ROUBDXYVISPGJA-GOSISDBHSA-N 441.385 5.360 30 10 IKEE CC(C)(C)OC(=O)NCc1ccc([C@](C)(C#N)Nc2cccc(Br)c2)cc1 2187543774 OUCLBWNCOLHAFV-NRFANRHFSA-N 430.346 5.325 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCCC)c2c(F)ccc(F)c2Br)C1 2197747701 GIBLDDOLHZNLBB-KRWDZBQOSA-N 445.348 5.382 30 10 IKEE C#C[C@H](NC(=O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1)C1CCCCC1 2203795314 FAOHKQRSNDLHJF-KRWDZBQOSA-N 435.362 5.108 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C1(CCC)CC(NC(=O)OC(C)(C)C)C1 2213249182 TWYHAYDQJVXPLT-SBRHDKPSSA-N 430.633 5.601 30 10 IKEE C=CCCC[C@H](NCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229127113 KGPDOWSXXRZMHZ-RBUKOAKNSA-N 425.411 5.219 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)C(C)(C)[C@@H](C)NC(=O)OC(C)(C)C 2235722838 GKDUHMNYPUDJMO-VQIMIIECSA-N 437.422 5.108 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)[C@H](CCC)CNC(=O)OC(C)(C)C 2235734827 XFZLQFSSILLZTB-QUCCMNQESA-N 437.422 5.110 30 10 IKEE C=CCC[C@@H](C)[C@H](NCCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248462007 AHUVRXCYPRLATC-GGAORHGYSA-N 430.633 5.411 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cccc(Cl)c1Br 2259399356 ZYRXBJXFWKVNPN-WBVHZDCISA-N 431.802 5.613 30 10 IKEE C=C(COCc1ccccc1)[C@](C)(OCCC(=O)O)c1ccc(C)c(Br)c1 2291133415 XDCDOFLINZTECR-QFIPXVFZSA-N 433.342 5.237 30 10 IKEE O=C1C[C@@H](c2ccc(Cl)cc2Cl)c2c(ccc3c2OC(=Cc2cccnc2)C3=O)O1 2297639729 BXNOBDTXRLWMJR-INIZCTEOSA-N 438.266 5.446 30 10 IKEE CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2299165543 YNHLTHVYXFNLBL-ROUUACIJSA-N 433.524 5.105 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)c1 2299174740 TYJCQEFRCCZUCD-RTBURBONSA-N 429.561 5.274 30 10 IKEE C=CCOc1ccc(C=C2SC(=Nc3nc(-c4ccccc4)cs3)N(CC)C2=O)cc1 2314544094 SWPXEMFWXYQOPL-UHFFFAOYSA-N 447.585 5.999 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)cc1 2318881714 XWKDQZDSDZOBLT-QHAWAJNXSA-N 443.588 5.712 30 10 IKEE Cc1ccc(COc2cccc(C=Nn3c(S)nnc3Cc3ccccc3F)c2)cc1 2321981701 QJUWSIYNRZCFPJ-UHFFFAOYSA-N 432.524 5.066 30 10 IKEE O=C(C=Cc1c(OCc2ccccc2)ccc2ccccc12)c1ccc(-c2ccccc2)cc1 2322301741 QBLVRMFBVVNOFY-UHFFFAOYSA-N 440.542 7.982 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(Cl)cc2Cl)c1OCCc1ccccc1 2322391188 GACZHAUJLFRZDP-UHFFFAOYSA-N 427.327 6.520 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccccc2C)cc1 2322391391 JMKJXMPTEFEKFB-UHFFFAOYSA-N 427.544 6.251 30 10 IKEE CCCOC(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc(Br)cc1 2322426771 QBRRMGIEJIOLRX-UHFFFAOYSA-N 437.717 5.331 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2C)cc1 2322455946 BMKMMXUSNQGFMI-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCCOc1c(Br)cc(Br)cc1C=CC(=O)c1ccc(C)cc1 2322593600 PCGKRWCQZDWAKY-UHFFFAOYSA-N 438.159 6.205 30 10 IKEE COC(=O)c1ccc(COc2ccc(Cl)cc2C=CC(=O)c2c(C)cc(C)cc2C)o1 2322948991 IQPMJASYUMDVHP-UHFFFAOYSA-N 438.907 6.120 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC)c(OCc3ccc(Cl)c(Cl)c3)c2)c1 2323068388 FGOJRBVNPGMVQH-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OCC(=O)Nc1ccccc1 2323203714 XLELLXIUCCPZPO-UHFFFAOYSA-N 429.516 5.732 30 10 IKEE CCCCCCCCCOc1ccc(C=NNc2nc(O)cc(C(C)C)n2)cc1Cl 2323248401 MSNIRUMVOGXLCD-UHFFFAOYSA-N 432.996 6.534 30 10 IKEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(F)cc1 2323363397 JTRJMBCHBNXSQC-UHFFFAOYSA-N 441.842 5.871 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1OC 2323441434 POPOCFRUEZTNQQ-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(OC)cc2)C3=O)CC1 2323652183 VDKSIKYUSUDPFC-UHFFFAOYSA-N 448.559 6.522 30 10 IKEE O=C1C(=Cc2cccnc2)Oc2cc(OC(=O)c3c(Cl)ccc(Cl)c3Cl)ccc21 2323656496 MIYTZWHZCOCSKF-UHFFFAOYSA-N 446.673 5.877 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OCc2ccccc2C)c(Br)c1 2323701892 GECLSYRKWFOJEZ-UHFFFAOYSA-N 437.333 6.241 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCc3cccc(Cl)c3)c([N+](=O)[O-])c2)cc1 2323831990 YZYRCDZNVPMBQS-UHFFFAOYSA-N 437.879 6.122 30 10 IKEE Cc1ccc(-c2csc(NN=Cc3ccc(OC(C)C)c(Br)c3)n2)cc1 2323865571 UKHHOEMQDMODPO-UHFFFAOYSA-N 430.371 6.114 30 10 IKEE COc1cc(C=NNc2nc(C)cs2)cc([N+](=O)[O-])c1OCc1cc(C)ccc1C 2323872728 MGCNCJMMTXPVQF-UHFFFAOYSA-N 426.498 5.010 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OCc1ccccc1F 2324058788 GKVFJHUHEJRWDW-UHFFFAOYSA-N 448.534 6.616 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc([N+](=O)[O-])c1OCc1ccccc1 2324245278 KXVQGEJGZZTZBN-UHFFFAOYSA-N 439.414 5.747 30 10 IKEE C[C@@H](Oc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O)C(=O)Nc1ccccc1Cl 2324388706 PLWWOPOQHSQMST-CQSZACIVSA-N 437.854 5.501 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc(O[C@@H](C)C(=O)Nc3ccccc3)c2C)C1=O 2324405751 VBXCIOUHTOTNNH-SFHVURJKSA-N 443.499 5.416 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2cccc(C)c2)C3=O)cc1 2324451451 MUXRTNFRBDCUEP-KRWDZBQOSA-N 429.472 5.026 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C)o2)C3=O)c1 2324464683 WNGQBFOLKNKOTH-SFHVURJKSA-N 431.488 5.535 30 10 IKEE COc1ccc(C)cc1NC(=O)COc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O 2325118281 YWYJWFXZDWJVGN-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CCc2ccc(Cl)cc2)nnc1SCCC 2325424704 RTEVBTPPPUYWIA-UHFFFAOYSA-N 441.000 5.666 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1cccc(OC)c1 2325571916 UICROAATUHBZCI-UHFFFAOYSA-N 435.380 5.721 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccc(F)c(C)c3)c2)cc1C 2325713115 HHXOEWZYWCNFSN-UHFFFAOYSA-N 448.490 5.504 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1Cl 2325729028 NOERQEIFSZBTMR-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE CCCOc1ccc(C=Nn2c(C)nnc2SCc2ccc(Cl)cc2)cc1[N+](=O)[O-] 2326350279 PDYJHNFUNYRVMC-UHFFFAOYSA-N 445.932 5.111 30 10 IKEE Fc1ccc(CSc2nnc(Cc3cccc4ccccc34)n2N=Cc2ccc[nH]2)cc1 2327722037 OWDLEMNFFJHACN-UHFFFAOYSA-N 441.535 5.664 30 10 IKEE Cc1ccc(OCc2nnc(SCCc3ccccc3)n2N=Cc2ccco2)c(C)c1 2328902913 AKUNAONOGFJGSO-UHFFFAOYSA-N 432.549 5.284 30 10 IKEE CSc1nnc(CCc2cccs2)n1N=Cc1ccc(OCc2ccccc2)cc1 2329625712 PPZNZAOPFPHOFR-UHFFFAOYSA-N 434.590 5.308 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2)cc1)ON=C1CCN(Cc2ccccc2)CC1 2329925512 QRNHTSWUOMLCPM-UHFFFAOYSA-N 440.543 5.474 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cccnc1 2330128732 IWNVZUIXJUGFKV-QGZVFWFLSA-N 433.968 5.653 30 10 IKEE Cc1cccc(CSc2nnc(Cc3cccs3)n2N=Cc2cccc([N+](=O)[O-])c2)c1 2330347370 ZNMSMCDHTSWKGJ-UHFFFAOYSA-N 449.561 5.322 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccccc2)c1 2330653589 RCZHOLLTRLQNFO-UHFFFAOYSA-N 445.504 5.042 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(Cl)c1OC(=O)C(C)(C)C 2330667681 GEIOGGYDCBFDLU-UHFFFAOYSA-N 436.935 6.740 30 10 IKEE C[C@@H](C(=O)Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1Cl)c1ccccc1 2330919382 IZICUFMXFGSDEK-MRXNPFEDSA-N 425.311 6.599 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)c(C)c3)c([N+](=O)[O-])c2)cc1 2330970247 PSHYAJVMYJWFAH-UHFFFAOYSA-N 445.471 5.264 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)c1ccc(C)cc1 2331085487 SFJKOLZDSYOVRL-UHFFFAOYSA-N 438.426 5.406 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)c1ccc(CC)cc1 2331183388 DBUUDRRDAXGOOV-UHFFFAOYSA-N 426.512 6.101 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3)cc2Cl)cc1 2331260093 KJZLJVSPHXRYHF-UHFFFAOYSA-N 448.946 6.481 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2C(C)(C)C)cc1 2331373168 HPIDSUFGDZFETM-UHFFFAOYSA-N 426.561 5.678 30 10 IKEE CCSc1nnc(C(C)(C)C)n1N=Cc1ccc(OCc2ccc(C)cc2)c(OC)c1 2331389071 OBCXYYNTMSCMGH-UHFFFAOYSA-N 438.597 5.466 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1cccc(F)c1 2331445402 RPFZZADOLJGIAB-UHFFFAOYSA-N 434.419 5.068 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCC3)n2N=Cc2ccccc2OC(C)C)c1 2331523455 ZMLLFVROIYWGHZ-UHFFFAOYSA-N 434.609 6.124 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1OCC 2331566128 JFGCIUZWYKIXSP-UHFFFAOYSA-N 444.518 6.916 30 10 IKEE C=C(C)CSc1nnc(CCC)n1N=Cc1ccc(OCc2ccccc2)c(OC)c1 2331649072 WXBCYIJODIDIBS-UHFFFAOYSA-N 436.581 5.369 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)CCCSC 2331669688 CARVBVCJZUEOBK-UHFFFAOYSA-N 442.577 5.655 30 10 IKEE CCCOc1c(C=Nn2c(SCc3ccc(F)cc3)nnc2C(C)C)cccc1OC 2331685136 KLDYMHNPUROIDD-UHFFFAOYSA-N 442.560 5.513 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccncc3)c(Cl)c2)c2ccccc12 2331866811 WHXQPYVUIDIHEC-UHFFFAOYSA-N 443.886 6.012 30 10 IKEE CN[C@H](C#CC1(OC)CCC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2337414223 BMNGLGGQFCLNRL-AREMUKBSSA-N 441.571 5.678 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Br)c(Oc2cccc(C#N)c2[N+](=O)[O-])c1 2370341327 FKXDGTWWVFUTTK-UHFFFAOYSA-N 434.246 5.368 30 10 IKEE CC(C)(C)OC(=O)Nc1nc2cc(Nc3cc(Br)cc(C#N)c3)ccc2s1 2382209132 PJKXNEMKEFSRHC-UHFFFAOYSA-N 445.342 6.021 30 10 IKEE Cc1cccc(CSc2nc3n(n2)[C@H](c2cccc(Cl)c2)C2=C(CCCC2=O)N3)c1 20327943 UJHJNLNRYDKBJY-OAQYLSRUSA-N 436.968 5.554 30 10 IKEE COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccncc2)c1 21236235 SHZONUADICXSLJ-QUGAMOGWSA-N 427.504 5.078 30 10 IKEE O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@H](c1ccc([N+](=O)[O-])cc1)Nc1ccccc1N2 21247282 FUFVWDFAHKZAEW-NSYGIPOTSA-N 429.451 5.713 30 10 IKEE C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(C)c(C)c2)nnc1-c1ccc(Cl)cc1 29829596 XMXPGJBXBNRBGZ-KRWDZBQOSA-N 441.000 5.371 30 10 IKEE CC[C@@H]1CS/C(=N\c2c(Br)cc(Br)cc2Br)N1 35286979 WPAUVUDEAFEKLC-SSDOTTSWSA-N 443.002 5.077 30 10 IKEE CC[C@H]1CS/C(=N\c2c(Br)cc(Br)cc2Br)N1 35286981 WPAUVUDEAFEKLC-ZETCQYMHSA-N 443.002 5.077 30 10 IKEE C=C(C)C(=O)NCc1nc2ccccc2n1CCCCOc1cc(C)c(Cl)c(C)c1 40194328 CDDWASRQFCOMNI-UHFFFAOYSA-N 425.960 5.358 30 10 IKEE C=CCc1ccccc1OCCCCn1c([C@H](C)NC(=O)c2ccco2)nc2ccccc21 40196587 OHGQBGJJRHNZON-FQEVSTJZSA-N 443.547 5.708 30 10 IKEE CCOc1cccc(/C=N/c2cc(C(F)(F)F)ccc2OCc2ccccc2OC)c1O 59478055 HHBNDRQUGRLIKN-CCVNUDIWSA-N 445.437 6.148 30 10 IKEE C=CCOC(=O)c1sc(NC(=O)C2CCC(CCCC)CC2)c(C(=O)OCC)c1C 96511972 DEWZAJSVXBCFIO-UHFFFAOYSA-N 435.586 5.511 30 10 IKEE CCN1C(=O)C[C@H](C(=O)Nc2ccccc2F)S/C1=N\c1cc(Cl)cc(Cl)c1 100195484 JSJQRIJDOIETPW-LTUQMTLXSA-N 440.327 5.113 30 10 IKEE Cc1cc2nc3c(nc2cc1C)[C@@]1(C(=O)OC2=CC(=O)CC(C)(C)C2)CC[C@@]3(C)C1(C)C 100946000 WFEFDZYFZTYOHS-KAYWLYCHSA-N 432.564 5.392 30 10 IKEE CCCCCCCCCCCCn1c(Cc2ccc(OC)c(OC)c2)nc2ccccc21 101262701 DWWLRHYXKVRWFZ-UHFFFAOYSA-N 436.640 7.565 30 10 IKEE CCCCCCCCCCCCCCCCCCn1c([C@@H](C)O)nc2cc(C)c(C)cc21 102247449 WCTDWNZTCIRBSE-AREMUKBSSA-N 442.732 8.968 30 10 IKEE Cc1cccc(C)c1/N=C1/c2ccccc2C2=NC(=O)N[C@@](c3ccccc3)(C(F)(F)F)N21 102715561 PDPNBRKRUUTBAI-ZWHBUZGISA-N 448.448 5.582 30 10 IKEE CCCOc1ccc(C(=O)/C(=C\c2ccccc2[N+](=O)[O-])c2nc3ccccc3o2)cc1 102719714 HMQNYQUMXHEEJF-CAPFRKAQSA-N 428.444 5.948 30 10 IKEE CCCCCCCC[C@](C#C[C@@H](O)c1ccc(C)cc1)(OCC)n1nnc2ccccc21 102996995 KUQQPHCCYAFVIZ-KAYWLYCHSA-N 433.596 5.917 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1ccccc1C(=O)OCC 115095805 UPIZIDSCBPGJTN-UHFFFAOYSA-N 431.661 8.063 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2cccs2)s1 169985600 SONUCUJXEWSUJP-INIZCTEOSA-N 430.938 5.258 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccc(F)cc2)c1 170063222 CVHKZDFSOUAJLT-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2cccs2)cc1C 170158180 QIVHMPGMAHSIDC-QHCPKHFHSA-N 445.540 5.473 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccccn2)cc1Cl 170172009 CZAQVYNCCJAKNX-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@@H]1c1ccccn1 170176138 JYCMRYHNGHVLSK-DEOSSOPVSA-N 442.515 5.208 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2cccnc2)cc1C 170190486 FBOZPLPVFZHUQO-XMMPIXPASA-N 442.515 5.188 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2c(OC)cccc2OC)[C@H]1c1cccc2ccccc12 170220868 XKFMWNARQWHQLP-XMMPIXPASA-N 445.515 5.235 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(Cl)cc2)cc1 170237061 XUNRYADOVYLLLG-NRFANRHFSA-N 425.912 5.260 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@H]1c1ccc(CC)cc1 170267881 ZWBLJYYBOZBEQX-XMMPIXPASA-N 435.564 5.678 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1Cc1cccs1 170269863 DFTMPNHBWNOABK-JOCHJYFZSA-N 429.497 5.581 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1C 170271097 HBZQQLOOEYIGTA-QHCPKHFHSA-N 445.490 5.542 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccco2)ccc1Cl 170286482 LBDYBAAITBTDCV-LJQANCHMSA-N 444.270 5.378 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2ccco2)c1 170290724 FGSBFASPDUIRKA-OAQYLSRUSA-N 439.414 5.130 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2c2cccc(F)c2)o1 170298963 MLTAKWCLWUMQCF-HSZRJFAPSA-N 431.463 5.389 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(C)o2)cc1Cl 170303784 NIIUPMCPBNJSQN-NRFANRHFSA-N 437.879 5.341 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)c(C)c2)[C@H]1c1ccc(C)o1 170310057 LWHIZFFMTDUQKN-JOCHJYFZSA-N 425.525 5.454 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 170362641 AFSJOPUBVJUDSK-JOCHJYFZSA-N 444.512 5.191 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C(C)C)cc2)cc1 170378588 AYBHUNSQPNPVBJ-AREMUKBSSA-N 439.555 6.716 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1cccs1 170379793 QHGVRIDETRRXII-GOSISDBHSA-N 448.302 5.977 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2ccc(Cl)c(Cl)c2)c1 170380222 LEKZRFDQFAIMIY-FQEVSTJZSA-N 439.298 5.480 30 10 IKEE CCN1/C(=C/C=C2\CC/C(=C3\Sc4ccccc4N3CC)C2=O)Sc2ccccc21 208549544 IKXDZJWYHLIPJC-JOKIKYAXSA-N 432.614 6.593 30 10 IKEE COc1ccc(N=C2S/C(=C\c3cccc(F)c3)C(=O)N2c2ccc(OC)cc2)cc1 252597780 CVLCOTMAMDSXPO-DRIWLZCMSA-N 434.492 5.652 30 10 IKEE O=[N+]([O-])c1ccccc1NN=Cc1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12 254288395 FRAPPQTYRYEYEV-UHFFFAOYSA-N 432.483 6.652 30 10 IKEE Cc1cccc(C)c1N=C1Oc2ccccc2N(C(=O)C(F)(F)F)[C@@]1(C)c1ccccn1 254380537 BTVFTQFAISVIFA-QHCPKHFHSA-N 439.437 5.632 30 10 IKEE CCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)C(=O)CC[C@H]32)C1 504629778 YSSYRCSUIQKJPD-PGLYJMIPSA-N 444.700 7.651 30 10 IKEE CCOc1cc(/C=N/N(C(N)=S)C2CCCCC2)ccc1OCc1ccc(Cl)cc1 520880623 CLCILWPNSCYCLY-CVKSISIWSA-N 446.016 5.530 30 10 IKEE CC(C)COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccc(O)c2)cc1 526488196 KTZCKTNKLWZFEQ-RUZDIDTESA-N 440.499 5.356 30 10 IKEE Cc1ccsc1[C@@H]1C(c2cccc(OCC(C)C)c2)=C(O)C(=O)N1c1cccc(C#N)c1 526516184 LKWIOLKTKSUBRW-QHCPKHFHSA-N 444.556 6.020 30 10 IKEE Cc1ccc(SC2=C(Nc3ccccc3C#N)C(=O)N(c3cccc(C)c3)C2=O)cc1 526661610 RYQHVZGQVAXONH-UHFFFAOYSA-N 425.513 5.164 30 10 IKEE Fc1ccccc1/C=N\n1c(Cc2ccccc2)nnc1SCc1ccccc1Cl 526817571 ZACSBYBZSRQTHJ-YSMPRRRNSA-N 436.943 5.836 30 10 IKEE Cc1nnc(SCc2cccc3ccccc23)n1/N=C\c1cccc(C(F)(F)F)c1 526820600 VYORSOHIBCBIBG-ZMFRSBBQSA-N 426.467 5.933 30 10 IKEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1c(C)[nH]c2ccccc12 526829734 XVMMZAYUBANIKS-OYKKKHCWSA-N 448.552 5.493 30 10 IKEE Cc1ccc(NC(=O)c2cnn3c2N[C@@H](c2ccc(F)cc2)C2=C3CC(C)(C)CC2=O)cc1 606630116 BZLCBSJSFOXPSE-QHCPKHFHSA-N 444.510 5.350 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H]([C@](C)(C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)C1 698911468 QOJPIEQHMFSHJG-AOMKIAJQSA-N 435.590 5.024 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@H](C#N)c1ncc(Br)s1 714068648 BNLUAIRXDKPNRV-GFCCVEGCSA-N 428.739 5.565 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@H](C#N)c1cccc(Cl)c1Br 719724912 GUMOGVYFNJUSNJ-QGZVFWFLSA-N 435.749 6.104 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)C1(C#N)CCC(NC(=O)OC(C)(C)C)CC1 724080378 VJMYMMFMZPCWAE-UHFFFAOYSA-N 445.560 5.166 30 10 IKEE O=C1/C(=C\c2ccc(N3CCCCC3)o2)SC(=Nc2ccccc2)N1Cc1ccccc1 1083961579 MMFYTTVLFROKTD-JQJRQWMGSA-N 443.572 6.074 30 10 IKEE CCOC(=O)c1ccc(-n2c(C)cc(C=NN(c3ccccc3)c3ccccc3)c2C)cc1 1084103838 NZSDHHNBOJLSEX-UHFFFAOYSA-N 437.543 6.443 30 10 IKEE O=C(CCSc1n[nH]c(NN=Cc2ccccc2)n1)N(c1ccccc1)c1ccccc1 1084626733 KBFYCXMPXWCRRQ-UHFFFAOYSA-N 442.548 5.098 30 10 IKEE COC(=O)c1ccc(/C=C2/SC(=Nc3nc(C)cs3)N(C3CCCCC3)C2=O)cc1 1772734959 DYHFBWMRYQDLFS-RFWMEDTCSA-N 441.578 5.175 30 10 IKEE CCCCCCCCCOc1cccnc1NC(=O)COc1ccc(Cl)cc1Cl 1858750049 IVFLQRAFIZBXOO-UHFFFAOYSA-N 439.383 6.535 30 10 IKEE CCOC(=O)c1sc(NC(=O)c2cc(C(C)C)nc3ccc(Cl)cc23)c(C#N)c1C 1859643412 ALABFVKVOYHJKZ-UHFFFAOYSA-N 441.940 5.682 30 10 IKEE Cc1ccc2nc(C(C)C)cc(C(=O)Nc3c(C#N)cnn3-c3ccc4ccccc4n3)c2c1 1859649616 XXUGQCXPPGHYRS-UHFFFAOYSA-N 446.514 5.525 30 10 IKEE C=CCN(CC=C)C(=O)CC1=C(C)/C(=C\c2ccc([S@@](C)=O)cc2)c2ccc(F)cc21 1860384472 ICKJCSYQUJCDCB-PWZXIBFPSA-N 435.564 5.482 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccccc2)c1)C(=O)Nc1cccc(OC(F)(F)F)c1 1860730065 XPARKUPQDZKKMT-OUKQBFOZSA-N 441.405 5.385 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](C)NC(=O)Cc1cc(Cl)ccc1SC 1860973170 RDSFJAUOOOSKFQ-QGZVFWFLSA-N 427.054 5.366 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)COc1cc(C)c(Cl)c(C)c1 1861639674 DTWPCDVMBPGUSN-NRFANRHFSA-N 439.040 5.487 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(C(C)(C)C)cc1 1862382751 JTXXWRYDGVEJAY-HXUWFJFHSA-N 446.374 6.279 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccccc2Cl)=C(O)C(=O)N1CCc1ccc(F)cc1 1862429323 KPPUQQSRROQFHD-QHCPKHFHSA-N 449.909 5.609 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@@H]2c2cccc(C)c2)cc1 1862429490 ORNHORBCWXLVCO-DEOSSOPVSA-N 445.946 5.778 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862429542 PMKNSGVHJVMLKM-SBUREZEXSA-N 431.919 5.988 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@@H]1c1cccc(F)c1)c1ccccc1Cl 1862432235 ZPRXTMIYCYLATN-HXUWFJFHSA-N 441.911 5.362 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@H]1c1cccc(O)c1)c1cccc(Cl)c1 1862442118 GMTVTJIQIOOILQ-QHCPKHFHSA-N 447.918 5.257 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccc([N+](=O)[O-])c1 1862492057 HWKBGDBRQWVFPY-QFIPXVFZSA-N 436.508 5.370 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc3cc[nH]c3c2)ccc1F 1862504001 KNYQQFPNVWJLEG-CHVDNLQBSA-N 446.522 5.772 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2cccc(C)c2)cc1 1862534095 QEICNUAQRZLLFZ-SANMLTNESA-N 439.555 5.769 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccc(Cl)cc2)c1 1862554720 JLXSPGZZTGCADW-JOCHJYFZSA-N 432.907 5.009 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1c(F)cccc1Cl 1862562086 XJQKEWSLSIINIJ-FQEVSTJZSA-N 430.907 5.220 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(Cl)cc2)cc1 1862616725 DCGOHLFWFSAEKJ-QFIPXVFZSA-N 437.967 6.158 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(O)c(OC)c1 1862665583 KFFSXFNWOYHYNR-QHCPKHFHSA-N 437.536 5.293 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2c(F)cccc2Cl)cc1 1862666563 GTJWLRVLWAFYBB-QFIPXVFZSA-N 441.930 6.123 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cc(Cl)cc(Cl)c1 1862668245 UQUHHQPLDHIMFI-HXUWFJFHSA-N 430.331 5.881 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccc(C)c1 1862722517 SBTXIDBFUCNDMN-DFBJGRDBSA-N 425.528 6.039 30 10 IKEE Cc1ccc(NC2=C(c3cccc4ccccc34)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862849378 LXNZFJGICSVRNE-UHFFFAOYSA-N 429.479 5.417 30 10 IKEE CCCCCCCCN1C(=O)C(NCCc2cccs2)=C(c2ccc(Cl)cc2)C1=O 1863535671 PAIZDTLOHSJCNO-UHFFFAOYSA-N 445.028 5.674 30 10 IKEE CC(C)(C)c1ccc(C(=O)Nc2c(Br)cc(C#N)cc2Br)cc1 1866094311 UUHAMGXYKRDZSM-UHFFFAOYSA-N 436.147 5.633 30 10 IKEE CC[C@@](C)(NC(=O)C[C@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1cccc(C#N)c1 1866781397 IPOLRKWMJABEBG-SHQCIBLASA-N 443.522 5.143 30 10 IKEE CCCCCCCCn1cc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c(=O)cc1C 1870084363 BAEHSHJEPSGKFB-UHFFFAOYSA-N 439.383 5.842 30 10 IKEE N#Cc1nnn(Cc2ccccc2Cl)c1NC(=O)c1c(Cl)ccc(Cl)c1Cl 1870111797 CXNGVDLFBMMPIY-UHFFFAOYSA-N 441.105 5.064 30 10 IKEE CCc1ccc(CCC(=O)Nc2c(C#N)nnn2-c2ccc(Oc3ccccc3)cc2)cc1 1870150164 ATOUKHIGNGFETH-UHFFFAOYSA-N 437.503 5.065 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCC(C)C)cn1CCc1c[nH]c2ccccc12 1870351777 QJIRBDJXHMXLRW-UHFFFAOYSA-N 433.596 5.171 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2C)c(=O)cc1CN(C)CCCC 1870628026 PMZSRPDZJAELLU-UHFFFAOYSA-N 426.645 6.328 30 10 IKEE C=CCOc1cn(Cc2ccc(F)cc2)c(CNc2ccc(N3CCCCC3)cc2)cc1=O 1870809295 UIBHZBVCZGDGQQ-UHFFFAOYSA-N 447.554 5.203 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCC)c(=O)cc1CNc1ccc(C)cc1 1871148196 PAABXPTYZJBLOT-UHFFFAOYSA-N 428.573 5.071 30 10 IKEE CCCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1c(Cl)cccc1Cl)C3=O 1871347030 SNJUOXAKZCQHOX-JAIQZWGSSA-N 432.347 6.260 30 10 IKEE Cc1cc(OC(=O)/C=C/c2ccc(F)cc2)cc2c1C(=O)/C(=C/c1cccc(Cl)c1)O2 1871365894 JQJYUOXTZSLVJG-JEUHMODBSA-N 434.850 6.023 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871366489 HXCUTKAGLDLOBZ-IWIPYMOSSA-N 444.483 5.303 30 10 IKEE Cc1cc(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc2c1C(=O)/C(=C/c1ccccc1)O2 1871372834 NKNCLXKJMLHARX-JMIUGGIZSA-N 435.819 5.392 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(C)c(C)c4)c3C)C2=O)c(OC)c1 1871373059 ZBXMZYPZBHTKNA-CFRMEGHHSA-N 444.483 5.464 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OC(=O)c3cc(Cl)ccc3Cl)ccc2C1=O 1871381633 ZSASVKOBIVHJFI-FBHDLOMBSA-N 441.266 5.837 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1 1871389717 LPIXFSDUDZDPRN-QQXSKIMKSA-N 440.495 6.210 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(O[C@H](C)C(=O)Nc4ccccc4Cl)c3C)C2=O)o1 1871407291 VHHOOIRTSDINLS-OFNOZLENSA-N 437.879 5.572 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3cc(OCc4ccc(C#N)cc4)cc(C)c3C2=O)c1 1871417775 PXIPASCCQKQJCX-MSXFZWOLSA-N 427.456 5.079 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OCC(=O)Nc3ccc4ccccc4c3)ccc2C1=O 1871419889 TYTZASBTJODSDX-UCQKPKSFSA-N 441.508 5.843 30 10 IKEE CC[C@@H](Oc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O)C(=O)Nc1cc(Cl)ccc1C 1871425390 DEOIFLMIXMTLMA-IHQWOVMBSA-N 447.918 6.061 30 10 IKEE COc1ccc(C)cc1NC(=O)CCOc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 1871447351 ZVRDRLIYJUMUCI-OYKKKHCWSA-N 447.462 5.167 30 10 IKEE CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871448142 GXMXGALFQIGGAM-BDFPJNNISA-N 441.483 5.220 30 10 IKEE CCc1ccccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(OC)cc1)C2=O 1871459440 YYODOIMZMQQVJZ-OYKKKHCWSA-N 443.499 5.200 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872244743 JEVWGSYMPMCPQA-XMMPIXPASA-N 442.625 5.232 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(C(C)C)cc3)n2)cc1 1872770556 XRNZFDWTYUCYQQ-WYIJSASQSA-N 430.573 6.612 30 10 IKEE Cc1ccccc1OCCCC(=O)[C@@H](C#N)c1nc(-c2cccc3ccccc23)cs1 1872775533 SULVUDLGKJPAKC-JOCHJYFZSA-N 426.541 6.307 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc1OC 1872776780 XHRGGGPKIXQVSE-YICVCXCLSA-N 446.572 6.230 30 10 IKEE COc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)c1 1872779518 LOKFIKXHZLFIBK-QFIPXVFZSA-N 426.497 6.101 30 10 IKEE COc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1 1872785010 CHBHQVGBHJKTHW-SNMYMPMCSA-N 430.573 6.314 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OCC(C)C)cc3)n2)cc1Cl 1872789775 UVQOUKOALKPAMX-SFHVURJKSA-N 440.952 5.997 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(Cl)c(C)c1)n2CC(C)C 1873656625 GDVANCVAAGOGSA-UHFFFAOYSA-N 437.975 5.480 30 10 IKEE O=C(Cc1csc(-c2ccccc2F)n1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1874180947 ZRXCCWDHNLTPKJ-UHFFFAOYSA-N 448.363 6.168 30 10 IKEE CCCSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1cccc(Cl)c1 1874209105 CFMYOJWTMRQBAX-LPYMAVHISA-N 449.805 5.669 30 10 IKEE C=CCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1cccc(OC)c1O 1874232284 ISMIJENHJKSIES-YZSQISJMSA-N 444.560 5.091 30 10 IKEE C=CCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1cccc(OC)c1 1874232721 QKHBCQZZASBJCB-NLRVBDNBSA-N 428.561 5.385 30 10 IKEE CCCc1ccc(OCc2nnc(SCC)n2/N=C/c2cn(C)c3ccccc23)cc1 1874257623 KDHZLIRKJKTGFJ-MFKUBSTISA-N 433.581 5.296 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CCc2ccc(Cl)cc2)nnc1SCCC 1874284667 RTEVBTPPPUYWIA-KOEQRZSOSA-N 441.000 5.666 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccccc1OCCC 1874342475 RWFHCYGDOLODMT-MFKUBSTISA-N 441.000 5.862 30 10 IKEE Fc1cccc(CSc2nnc(Cc3ccccc3F)n2/N=C/c2cccs2)c1 1874374656 HPSVNCKRNWYTNZ-ZMOGYAJESA-N 426.517 5.383 30 10 IKEE CCSc1nnc(-c2cccs2)n1/N=C/c1ccc(OCc2ccc(C)cc2)cc1 1874423440 MCEXDWBZQGSFTK-BUVRLJJBSA-N 434.590 5.888 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCCC3)n2/N=C/c2ccc(C(C)C)cc2)c1 1874455933 RAGWDFKPWRFFPU-JVWAILMASA-N 432.637 6.850 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccc(CC)cc2)n1/N=C/c1ccccc1C 1874476654 QZZXMCHPEPGBBR-PCLIKHOPSA-N 435.597 5.105 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccc(CC)cc2)n1/N=C/c1ccc(CC)cc1 1874478426 ZQSWJVDFSAGWMJ-YZSQISJMSA-N 449.624 5.359 30 10 IKEE Fc1cccc(CSc2nnc(C3CCC3)n2/N=C/c2ccc(Cl)c(Cl)c2)c1 1874494253 IHTYQCLJUJSEGO-BHGWPJFGSA-N 435.355 6.166 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CC2)c1OC 1874520663 STKBHABPCGGKJF-FSJBWODESA-N 428.945 5.001 30 10 IKEE Cc1ccccc1NC(=O)COc1ccccc1/C=C/C(=O)c1ccc(Cl)cc1Cl 1874573614 XBOMAPDGIPHWNQ-JLHYYAGUSA-N 440.326 6.215 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccccc2OCc2c(Cl)cccc2Cl)cc1 1874573650 YRNAVFXZPUETMT-WUKNDPDISA-N 439.382 7.811 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccccc2Cl)c1OCC(=O)Nc1cc(C)cc(C)c1 1874575037 RRHSXUOHLAJJQQ-VAWYXSNFSA-N 449.934 5.879 30 10 IKEE O=C(/C=C/c1c(OCc2ccccc2Cl)ccc2ccccc12)c1cccc(Cl)c1 1874577443 NSYAYWOBJPUBGF-BUHFOSPRSA-N 433.334 7.622 30 10 IKEE Cc1ccc(C(=O)/C=C/c2c(OCc3cccc4ccccc34)ccc3ccccc23)cc1 1874579627 YNSYLVWDETUZNC-VHEBQXMUSA-N 428.531 7.777 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccc([N+](=O)[O-])cc1 1874610919 SJNJSWWRAVJLBT-KGVSQERTSA-N 428.271 6.377 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)c1OCc1ccccc1Cl 1874614999 BFAJMEFGEMOOQM-PKNBQFBNSA-N 441.354 7.094 30 10 IKEE C=C(C)COc1ccc(/C=C/C(=O)c2ccc(OCC)cc2OCC)cc1Br 1874632212 QMJTVMKEPIDZGU-YRNVUSSQSA-N 445.353 6.098 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OCCc2ccccc2)c(Cl)c1 1874633598 LIJNUQFSCWJUQR-CSKARUKUSA-N 441.354 6.828 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 1874635595 UCOVVBBTEXGOLU-GHRIWEEISA-N 427.544 6.206 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)CCc1ccccc1 1874693165 QOHYRYHLMCNRJW-JLHYYAGUSA-N 431.444 5.038 30 10 IKEE COc1cccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(Cl)cc3Cl)c2)c1 1874694942 CHUNVYGABWUNFC-DHZHZOJOSA-N 427.283 6.117 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)[C@@H](C)c3ccccc3)c2)cc1C 1874696349 UVDPXOOSIASQAS-QHSLDKKCSA-N 430.500 5.617 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)cc2)c1 1875096973 NVCGJEPDKBPLRG-GZTJUZNOSA-N 440.539 6.008 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Br)cc2)ccc1OC(=O)CC(C)(C)C 1875111044 QTXKCJOWXMKGTM-WUXMJOGZSA-N 445.353 6.086 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3F)cc2)CC1 1875120510 WPPMYXHHTRAANQ-CXUHLZMHSA-N 426.503 6.763 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC(=O)c1ccccc1OC 1875122180 HCTWTEPUKHPYEN-XYOKQWHBSA-N 438.426 5.487 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)c1ccccc1 1875122223 IUNUHXLQBFOJJB-JLHYYAGUSA-N 434.438 5.817 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC(=O)Cc1ccc(F)c(C)c1 1875125398 HHRVEZNMQPOFDJ-NYYWCZLTSA-N 438.882 5.840 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2)cc1 1875131024 DTGXPKONOKKNGY-MHWRWJLKSA-N 428.528 6.136 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)c1cncc(C)c1 1875131806 PAGVVBVYFVGHPT-VQHVLOKHSA-N 431.488 5.139 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc4c(c3)OCO4)c([N+](=O)[O-])c2)c(C)c1 1875134660 DPOOWHSDBACNAO-XBXARRHUSA-N 445.427 5.056 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)C3CC3)c(Br)c2)cc1 1875138052 GCIGCGOWAOJYCM-QDEBKDIKSA-N 429.310 5.449 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OC(=O)C(F)(F)F 1875160264 IHCZFUXANCPGSJ-RMKNXTFCSA-N 436.426 5.365 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)Cc1ccc(OC)cc1 1875176537 IQELYJYOTMSDES-NTEUORMPSA-N 444.527 5.755 30 10 IKEE C=CC1(CC(=O)[C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCC1 1875650467 MWWDSTOXWWFHPI-MUUNZHRXSA-N 442.555 6.194 30 10 IKEE CC#CCC[C@@H](NCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875651368 QBWIXNBMOIMSGB-GGXMVOPNSA-N 443.587 5.660 30 10 IKEE CN(CC1CCN(C(=O)c2c3ccccc3cc3ccccc23)CC1)c1ncccc1C#N 1891672248 YEJGBBWXBNYNFY-UHFFFAOYSA-N 434.543 5.248 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1C[C@@H]2C[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 1922069226 OZWUBIGDOAORIF-ZSXJVMONSA-N 428.617 5.067 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CC[C@@H](C2CC2)N1C(=O)OC(C)(C)C 1922091854 NESWFBOHCOZAKD-VXNXHJTFSA-N 428.617 5.306 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1ccccc1CCN(C)C(=O)OC(C)(C)C 1922125774 PMCVVBMCVRCMMA-VWLOTQADSA-N 438.612 5.520 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c1 1949118832 RQFXOYNRSKFVQO-GLDPYIMESA-N 427.545 5.028 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)[C@H]1C(C)(C)C 2014554842 CLOWMXSDLVZGKS-KOSHJBKYSA-N 435.609 5.484 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCC[C@H]1NC(=O)OC(C)(C)C 2031458883 OKVFLVJKSICLGS-DVECYGJZSA-N 445.560 5.166 30 10 IKEE C=CCC[C@@H](C)[C@@H](NCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071265151 PAYROKWXPPNPOA-RNWIMVQKSA-N 429.604 7.098 30 10 IKEE CC(C)c1ccc([C@@H](C2CCC2)n2nc(C(F)(F)F)c(C=NO)c2Br)cc1 2079984341 JFEFDKYVXCHCAT-MRXNPFEDSA-N 444.295 5.985 30 10 IKEE CC(C)Oc1ccc([C@H](C2CC2)n2nc(C(C)(C)C)c(C=NO)c2Br)cc1 2080057397 IMTRKWXQVANVII-SFHVURJKSA-N 434.378 5.538 30 10 IKEE CC(C)Oc1ccc([C@H](n2nc(C(F)F)c(C=NO)c2Br)C2(C)CC2)cc1 2080069319 PCUQEYPUICMQFH-INIZCTEOSA-N 442.304 5.568 30 10 IKEE C=CCN(CC[C@@H](Cc1cc(Cl)cc(Br)c1)NCC)C(=O)OC(C)(C)C 2110499824 DFQAIYOHJJAAPE-SFHVURJKSA-N 445.829 5.436 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)ccc(F)c1Br 2145542523 ARMYKUIGXLYYSF-YJBOKZPZSA-N 445.348 5.075 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H](CNc2ccc(C#N)cc2Br)C1 2162334953 SGTKNHDEMPHICA-MRXNPFEDSA-N 434.378 5.160 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)Nc1ccc(F)cc1C#N 2181045430 GRUPAVGJVMZPDH-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE CCCCCC#CC[C@@H](NCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2203811520 XGCAWEZOLXWMNB-LJQANCHMSA-N 437.422 6.421 30 10 IKEE Cc1sc([C@@H](C#N)N(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)c(C)c1Br 2219348274 BNKZPXMLHMAJHS-UONOGXRCSA-N 429.380 5.108 30 10 IKEE C=C(F)C[C@@H](NCCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229129320 WIHFLKWEUCJNDB-MSOLQXFVSA-N 429.374 5.126 30 10 IKEE CCCCCCCCC[C@H](CO)N(C(=O)OCc1ccccc1)c1ccc(Cl)cc1 2235446577 WMMJYAYFKJWOMB-XMMPIXPASA-N 432.004 6.985 30 10 IKEE C=CCC1([C@H](NCC)c2cc(C)c(Br)c(C)c2)CN(C(=O)OC(C)(C)C)C1 2235614304 GYRYEIHNOAPBBF-LJQANCHMSA-N 437.422 5.530 30 10 IKEE C=CCC1(NCc2sc(Br)c(C)c2C)CCN(C(=O)OC(C)(C)C)CC1 2265923187 JRUNWDSQRXJHMD-UHFFFAOYSA-N 443.451 5.563 30 10 IKEE CC(C)(C)C#CC=CC[C@H](N)c1ccc(Br)cc1I 2268822720 REWIDJLDBDYDKF-HNNXBMFYSA-N 432.143 5.049 30 10 IKEE CN[C@H](C#Cc1ccc(Br)cc1)CCC(C)(C)CCNC(=O)OC(C)(C)C 2296309734 ZUPOQXXOBJIOPD-LJQANCHMSA-N 437.422 5.110 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(OCc4ccccc4OC)c3C)C2=O)c2ccccc21 2296871294 KPFGZUKGBBDUER-UHFFFAOYSA-N 439.511 6.173 30 10 IKEE C=CCOc1c(Br)cc(C=C2N=C(c3cccc(Cl)c3)OC2=O)cc1OC 2297328216 TWWAENLCNDYZKC-UHFFFAOYSA-N 448.700 5.020 30 10 IKEE C[C@]12CC[C@H]3[C@@H](CCC4=CC(=NNc5cccc(Cl)c5Cl)CC[C@@]43C)[C@@H]1CCC2=O 2297329295 HESAJDXBMHQLJH-YCFGBBTASA-N 445.434 7.293 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3cc(OCc4ccc([N+](=O)[O-])cc4)ccc3C2=O)cc1 2314437331 JMKQWVHLXDQERN-UHFFFAOYSA-N 429.472 6.088 30 10 IKEE C=CCN1C(=O)C(=Cc2c[nH]c3ccccc23)SC1=Nc1nc(-c2ccccc2)cs1 2314544340 ZCAJPDQMZRYJHP-UHFFFAOYSA-N 442.569 6.081 30 10 IKEE CC#CCN(C[C@H](NCC)c1cccc(Br)c1Cl)C(=O)OC(C)(C)C 2316118239 ZTWNCNRLIQJSQI-INIZCTEOSA-N 429.786 5.014 30 10 IKEE Cc1cc(Sc2cc(I)ccc2Br)ccc1C#N 2316388837 VJRAYULDYVCCTI-UHFFFAOYSA-N 430.108 5.385 30 10 IKEE C=Cc1ccc(COc2cc(C)c3c(c2)OC(=Cc2cccc(Br)c2)C3=O)cc1 2321863191 RZJDVQYFBLQIAF-UHFFFAOYSA-N 447.328 6.596 30 10 IKEE C=Cc1ccc(COc2ccc3c(c2C)OC(=Cc2ccc(C(=O)OC)cc2)C3=O)cc1 2321869979 QULBRYBRDPDFBB-UHFFFAOYSA-N 426.468 5.620 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1c(F)cccc1Cl)O3)CN(C1CCCCC1)CO2 2322016368 JSZOEWOCSDADLM-UHFFFAOYSA-N 427.903 5.888 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc3c(c2)CCCC3)c1OCCc1ccccc1 2322334396 HNWOCYKKPJXQPR-UHFFFAOYSA-N 446.974 6.745 30 10 IKEE Cc1ccc(C=C2Oc3c(cc4c(c3C)OCN(C35CC6CC(CC(C6)C3)C5)C4)C2=O)o1 2322437170 CQPZEBAMYYXKBT-UHFFFAOYSA-N 431.532 5.633 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(F)c(F)c2)c1OCc1ccc(F)cc1 2322781526 DLGPLILNELICLC-UHFFFAOYSA-N 432.825 6.241 30 10 IKEE CC(=O)Nc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)c1 2322961444 VXUYCUJMIJSRSY-UHFFFAOYSA-N 447.874 5.442 30 10 IKEE O=C(C=Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1)c1ccc2c(c1)OCCO2 2323181941 WLGURWGYIDHZQE-UHFFFAOYSA-N 441.310 6.240 30 10 IKEE CN(C)c1ccc(C=C2Oc3cc(OC(=O)c4c(F)cccc4Cl)ccc3C2=O)cc1 2323353350 UBTCIFOFKUGCEP-UHFFFAOYSA-N 437.854 5.381 30 10 IKEE O=C(C=Cc1cccc([N+](=O)[O-])c1)Oc1ccc2c(c1)OC(=Cc1cccc(Cl)c1)C2=O 2323433386 GDDUNRWSPKWGKL-UHFFFAOYSA-N 447.830 5.483 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)cc(Br)c1OCCCO 2323481628 IQJSANWMIKPMCU-UHFFFAOYSA-N 433.342 5.068 30 10 IKEE CCCOc1c(Br)cc(C=CC(=O)c2ccc(F)cc2F)cc1OCC 2323740021 LLTIIJAHFAOQES-UHFFFAOYSA-N 425.269 5.811 30 10 IKEE CC(C)Oc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)c1 2323807878 KLIZNOVTOVLOBD-UHFFFAOYSA-N 434.875 5.963 30 10 IKEE CC(C)Oc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)c1 2323808627 CQJBTBRHIHICFL-UHFFFAOYSA-N 445.427 5.217 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])cc1 2323900748 MCNQYLQXJYSLDB-UHFFFAOYSA-N 430.460 5.125 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OCC(=O)Nc3cc(C)cc(C)c3)cc2)c1 2324014911 QQPPAMFBOSMAEY-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE CCCOC(=O)COc1c(Cl)cc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OCC 2324169463 OGQLVFRDMRXKSM-UHFFFAOYSA-N 444.955 6.090 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Cl)c1OCc1ccccc1Cl 2324234814 YSQRTMLKEWLLOH-UHFFFAOYSA-N 449.280 6.755 30 10 IKEE C[C@@H](Oc1ccc2c(c1)OC(=Cc1ccco1)C2=O)C(=O)Nc1cc(Cl)ccc1Cl 2324358644 VQUQGQPTCBOVAK-GFCCVEGCSA-N 444.270 5.609 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2cccs2)C3=O)c(C)c1 2324494497 RXNFYLBWRPDGLT-KRWDZBQOSA-N 433.529 5.696 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)c(OC)cc2C)cc(OC)c1OCc1ccccc1 2324647831 QTAUEFOLPBBSGQ-UHFFFAOYSA-N 442.555 6.524 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(OC)cc1OC 2325571975 NPBUHJQROWYNOV-UHFFFAOYSA-N 448.951 5.215 30 10 IKEE CCCCCOc1ccc(C=Nn2cnnc2SCc2ccc(Cl)c(Cl)c2)cc1 2325668732 FZSFCLURNVYQKH-UHFFFAOYSA-N 449.407 6.328 30 10 IKEE CCOc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2sccc2C)C3=O)cc1 2325705652 HHZVAYZNOWRKFT-UHFFFAOYSA-N 449.528 5.397 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1)c1ccccc1Cl 2325717989 GSYDYZUABULHKS-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4cc(Cl)ccc4C)c3C)C2=O)o1 2325724212 WHGKTBMKTHEDKY-UHFFFAOYSA-N 437.879 5.492 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1F 2325748703 HXSJBRJISVQOSE-UHFFFAOYSA-N 432.491 6.247 30 10 IKEE O=C(CC12CC3CC(CC(C3)C1)C2)Oc1cccc(C=CC(=O)c2ccc(F)c(F)c2)c1 2325753598 YTODJRDTWGUICQ-UHFFFAOYSA-N 436.498 6.373 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c(C)c3C)c2)c1 2325755566 REGVLCVPPHZRMR-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cccc(OC)c3)c2)c(OCC)c1 2325762707 XKYSOJJPGFQQSV-UHFFFAOYSA-N 446.499 5.608 30 10 IKEE CCCOc1ccc(C=Nn2cnnc2SCc2ccccc2F)cc1Br 2326258302 HXSFSQROCSMLCS-UHFFFAOYSA-N 449.349 5.143 30 10 IKEE CCCCCCCCCOc1cccnc1NC(=O)C=Cc1ccc(OCC)c(OC)c1 2326801732 ICNVGPORDYVILH-UHFFFAOYSA-N 440.584 6.270 30 10 IKEE CCSc1nnc(CCCOc2ccccc2C)n1N=Cc1ccc(Cl)cc1Cl 2327082661 FUZKUUYBGRFNJZ-UHFFFAOYSA-N 449.407 5.899 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)C1(C#N)CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 2327973425 AUEUEGPYEWRAHV-ABGUIGEDSA-N 449.636 5.589 30 10 IKEE CCCCC1CCC(c2nnc(SCC(=O)NCCC)n2N=Cc2cccs2)CC1 2328142918 UXIZCDSZXZWCKL-UHFFFAOYSA-N 447.674 5.304 30 10 IKEE C=C(C)CSc1nnc(COc2cccc(C)c2C)n1N=Cc1ccc(N(C)C)cc1 2328846870 ZMODCAQZPOIGGV-UHFFFAOYSA-N 435.597 5.090 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H]3C[C@H]3c3ccccc3Cl)cc2)cc1C 2330855632 NNJJXHWITXGICU-GOTSBHOMSA-N 446.930 6.262 30 10 IKEE Oc1ccccc1C=Nn1c(SCc2cccc3ccccc23)nnc1C(F)(F)F 2331149994 ONJRFDVABJPQCB-UHFFFAOYSA-N 428.439 5.330 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)Cc1ccc(F)cc1F 2331163198 IEWGNTXAEBYTQE-UHFFFAOYSA-N 438.426 5.026 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1 2331188538 RLDVLJPBENXRNX-UHFFFAOYSA-N 448.518 6.868 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCc3c(F)cccc3Cl)nnc2-c2ccco2)c1 2331232374 KQEDIZSSSKOSHC-UHFFFAOYSA-N 442.903 5.519 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3cc(OC)ccc3OC)cc2)cc1 2331381113 KKWOADNQOZMRRZ-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)COCc3ccccc3)cc2)cc1 2331412550 IDKKZQRGKCVQAJ-UHFFFAOYSA-N 428.528 6.002 30 10 IKEE CCCC(=O)Oc1c(OCC)cc(C=CC(=O)c2cc(C)c(OC)cc2C)cc1[N+](=O)[O-] 2331851677 RTWODSZOHISCSR-UHFFFAOYSA-N 441.480 5.221 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@@H](O)C#Cc2cccc(Br)c2)c(Cl)c1 2335920063 CBTHSVXWHNEXRD-SFHVURJKSA-N 436.733 5.535 30 10 IKEE CC[C@H](C)N(CCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2339586425 FTEKESATWDZZFM-SFHVURJKSA-N 446.397 5.141 30 10 IKEE CCCCCCCCC[C@@H](N)[C@@H](O)c1sc(Cl)cc1I 2366647369 GDTWXVMKMPFECU-TZMCWYRMSA-N 429.795 5.508 30 10 IKEE Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3F)C(C#N)(C#N)[C@@H]3c4ccccc4C=CN23)cc1 1430962 LATHMBIBTZXTOU-OBDYRVMHSA-N 433.486 5.544 30 10 IKEE COc1cccc(-n2c(=S)sc3c2nc(SCC#N)n2c4ccccc4nc32)c1 9474076 ZXPXRUIYJBYFAL-UHFFFAOYSA-N 435.559 5.242 30 10 IKEE COc1cccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(C(C)(C)C)cc2)C3)c1OC 21251331 MOHWLUOJNXNJRR-FXAWDEMLSA-N 433.548 5.006 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2C(F)(F)F)cc1 21254934 QISGYRQRQFYJPK-LPHOPBHVSA-N 443.465 5.499 30 10 IKEE CCn1nc(C)c(CN/C(=N/C(=O)c2cccc(C)c2)Nc2cc(Cl)ccc2C)c1C 32971869 QNYXLSRHMRDBMV-UHFFFAOYSA-N 437.975 5.188 30 10 IKEE CCC(C)(C)[C@H]1CCc2sc3ncnc(N/N=C\c4c(Cl)cccc4Cl)c3c2C1 33097080 ZMUWKRLESJFUPP-KCENJROVSA-N 447.435 6.985 30 10 IKEE C=CCC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C1CC1 36302126 HIOIBCFXHYOZNX-HSZRJFAPSA-N 447.579 5.273 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(C)cc2)S/C1=N/c1nccs1 39864878 LWXLFSFIVXAOIY-SYUAUQEVSA-N 447.585 5.821 30 10 IKEE Cc1ccc(Nc2sc3c(-c4ccc(Cl)cc4)c(C#N)c(N)nc3c2C(N)=O)cc1 39895236 WGEDGGRUROZHOR-UHFFFAOYSA-N 433.924 5.222 30 10 IKEE COc1ccccc1/C=C1\S/C(=N/N=C\C=C\c2ccccc2)N(Cc2ccco2)C1=O 47138754 UVUWVKGQHWAVAS-CWHKXJQLSA-N 443.528 5.460 30 10 IKEE CC1=NN(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)/C1=N/Nc1cc(Cl)ccc1C 59461784 FUSKGDVAPQXNIS-XIEYBQDHSA-N 444.347 5.616 30 10 IKEE C=C(C)COc1ccc(NC(=O)CNc2ccc(NC(=O)c3cccc(C)c3)cc2)cc1 66094642 XZYFKURTQYVPEY-UHFFFAOYSA-N 429.520 5.253 30 10 IKEE O=S(=O)(c1ccc(/N=C/c2ccc(Cl)cc2Cl)cc1)N1CCc2ccccc21 100037691 CZCKEMHDHZGLTF-ZVHZXABRSA-N 431.344 5.495 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(N(CC#N)CC#N)c1N 101524721 HRMHGQNQPCMJGJ-UHFFFAOYSA-N 427.641 5.806 30 10 IKEE CCCCCCCn1c(CCCNC(=O)COc2ccc(Cl)cc2)nc2ccccc21 102159182 VDQAFIHMBFGOCZ-UHFFFAOYSA-N 442.003 5.788 30 10 IKEE O=C1C=C(Cl)[C@H]2C=C(Nc3ccccc3)[C@@H]3C(=O)C=C(Cl)c4cc(Cl)c1c2c43 103693184 DKTMGOWAHFWZTD-VERVWZFWSA-N 428.702 5.998 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@H](c2ccccc2OCc2ccccc2Cl)NC(=S)N1 169938470 XAOHSBXVUQGQIU-QHCPKHFHSA-N 448.975 5.595 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1c1cccc(F)c1 169940064 NUBYSLPSFGWOOY-HSZRJFAPSA-N 443.430 5.363 30 10 IKEE COc1ccc(/C=N\Nc2nc(-c3ccc(C)c(C)c3)cs2)c(Br)c1OC 169940429 NGQXZXORTOXYKW-YVNNLAQVSA-N 446.370 5.653 30 10 IKEE COc1cc(/C=N\Nc2nc(-c3ccccc3)cs2)cc(OC)c1OCc1ccccc1 169940519 CCYHUQYYFCZHTE-YSMPRRRNSA-N 445.544 5.852 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2ccc(O)cc2)c1 169958860 KMSVTUULJBWJOQ-DEOSSOPVSA-N 427.500 5.409 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2cccc(C)c2)cc1 169966156 REDIUCGCFQNDRZ-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2cc(F)ccc2F)c1 169971835 LKDUGSBMIGXKJP-XMMPIXPASA-N 433.454 5.375 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2CCC)cc1 169975997 MTKAVIVGYFOKDR-DEOSSOPVSA-N 435.564 5.861 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1cccs1 169985616 YAEMIGDSURJLNH-IBGZPJMESA-N 425.893 5.193 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C)c2)cc1 170028366 BOWJPBLZRIYXLI-HSZRJFAPSA-N 447.918 5.830 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccccc2)c1 170054922 UWDUPCYCNWMOPC-SANMLTNESA-N 449.506 5.627 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1ccccc1)c1cccc(Cl)c1 170055203 GSUGPLWIWYDHPI-JOCHJYFZSA-N 435.882 5.300 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2cccs2)c(OC)c1 170156127 AMJNHXWWJJWCPS-JOCHJYFZSA-N 449.528 5.165 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccccn2)cc1C 170172225 QGBIDCADJKCNIE-XMMPIXPASA-N 442.515 5.107 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccccn1 170181209 WLSWZEVSXJSKED-HSZRJFAPSA-N 436.552 5.193 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccncc1)c1ccc(Cl)cc1 170203761 RBOQTBWVONUKLZ-IBGZPJMESA-N 425.271 5.171 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(OCC)cc1 170213685 DCJQBZFHYMVBKB-HXUWFJFHSA-N 448.346 5.771 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccccc2)cc1C 170223910 VDHNYSULUADPCN-VWLOTQADSA-N 441.527 5.712 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccccc2)c(C)c1 170225073 OJASPHZLYPOYEA-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2ccccc2)c1 170227679 KAZSEZVGSNVKDC-DEOSSOPVSA-N 443.499 5.272 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@@H]1c1ccc(Cl)cc1 170236282 KPAHRRIRLYUGPC-QFIPXVFZSA-N 441.955 5.850 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2C2CCCC2)cc1 170246198 FZPWVQSRGFWUJR-QFIPXVFZSA-N 434.492 5.239 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccco2)cc1 170280968 ZWGRAMQTWACCMO-VWLOTQADSA-N 441.527 6.065 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(C)o2)cc1C 170299851 QYJACVOAIRVMSU-JOCHJYFZSA-N 435.451 5.135 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2sccc2C)s1 170313758 OWZOOXJZKGFUHU-MRXNPFEDSA-N 428.510 5.052 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2sccc2C)cc1 170317553 WZCJZUISBOJURB-HXUWFJFHSA-N 425.550 5.366 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(C(C)(C)C)cc2)cc1 170326444 XCQPRAVXGZBTEA-QHCPKHFHSA-N 442.515 5.171 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)c2ccc(-c3ccccc3)cc2)nc2ccccc12 170536867 NSYXMTCRZHTNSE-UHFFFAOYSA-N 429.483 5.520 30 10 IKEE COc1cccc2c(C)cc(-n3ncc(C#N)c3Nc3ccc(-c4ccc(C)cc4)nn3)nc12 170547666 IXMJZWBTJBZMKO-UHFFFAOYSA-N 447.502 5.118 30 10 IKEE C=C1[C@H]2[C@H]3CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]4(C)[C@]3(C)CC[C@@]2(C)CC[C@H]1C 257418098 FPEQZEXTCWHNGF-HVCMQGPBSA-N 426.729 8.025 30 10 IKEE COc1ccc(/C=C2/CC[C@]3(C[C@@H]4CCCC[C@@]4(O)O[C@H]3c3ccc(OC)cc3)C2=O)cc1 263632525 LHZZMHLXKOFUGQ-JFEVFDFJSA-N 448.559 5.477 30 10 IKEE CCOc1cc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccc(F)c2)ccc1OC 526487061 UFPCJCJWWYURLQ-XMMPIXPASA-N 444.462 5.162 30 10 IKEE CN(C)c1ccc([C@@H]2C(c3cccc4ccccc34)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526519412 IEOROPSFDPHRCN-HHHXNRCGSA-N 445.522 5.835 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2sccc2C)c(OC)c1 526607358 POVLBLQBSUMRIF-NRFANRHFSA-N 432.501 5.003 30 10 IKEE CCOc1cc(/C=N\n2cnnc2SCc2ccc(C)cc2C)cc(Cl)c1OC 526810983 WXSCUHFFYVCESU-MYKKPKGFSA-N 430.961 5.130 30 10 IKEE CCOc1cccc(/C=N\n2c(C)nnc2SCc2ccc(Cl)c(Cl)c2)c1O 526814328 JMYKTINZPVMCDI-YVNNLAQVSA-N 437.352 5.172 30 10 IKEE C=CCN(C[C@H](NCCC)c1ccc(Br)c(F)c1F)C(=O)OC(C)(C)C 689646181 NIWKAYQZSSELDK-HNNXBMFYSA-N 433.337 5.191 30 10 IKEE CC1(C)CC(C)(C)CC(C#N)(N(C(=O)OC(C)(C)C)c2cccc(Br)c2)C1 698498486 UOAIPMYWQNPLCA-UHFFFAOYSA-N 435.406 6.689 30 10 IKEE CC(C)c1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)cc1 710736426 MOGCWGAOAVIHLG-FQEVSTJZSA-N 429.358 6.579 30 10 IKEE C#Cc1cccc(NC(=S)/C(=C(/O)c2cccc(OC)c2)[n+]2ccc(C(C)(C)C)cc2)c1 726573082 ZJGSQMIHAWOHFU-UHFFFAOYSA-O 443.592 5.585 30 10 IKEE FC(F)(F)c1ccc(C=NNc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1 1081095300 ZERKWEGESSOBPJ-UHFFFAOYSA-N 449.440 5.824 30 10 IKEE Cn1c(=NN=C2C(=O)N(Cc3cccc4ccccc34)c3ccccc32)sc2ccccc21 1084267837 LPDFGVSWJKRZOO-UHFFFAOYSA-N 448.551 5.245 30 10 IKEE CCCCCCN(CCCCCC)CN1C(=O)C(=Nc2ccc(F)cc2)c2ccccc21 1084540879 SRUPWTCQNQYAGQ-UHFFFAOYSA-N 437.603 6.713 30 10 IKEE CC(C)(C)c1ccc(O)c(N/C(=N/Cc2cccs2)N2CCC(N3CCCC3)CC2)c1 1088652347 HNZFJRLBPBEGJE-UHFFFAOYSA-N 440.657 5.280 30 10 IKEE CCOc1ccc(/C=C2\SC(=Nc3ccccn3)N(c3ccccc3)C2=O)cc1OC 1772732088 SZBPCTDJZWROBU-YKXMXDARSA-N 431.517 5.298 30 10 IKEE Cc1ccc(-c2nn(-c3ccccc3F)cc2/C=N\NC(=S)Nc2cccc(C)c2)cc1 1857810868 VHRNHDSDWZAGDT-DICXZTSXSA-N 443.551 5.616 30 10 IKEE CCCCCCCCCCNC(=O)c1cc2cc(Cl)cc(Br)c2oc1=O 1859671094 IPHKTDBVNGYQTK-UHFFFAOYSA-N 442.781 6.079 30 10 IKEE CCCOc1ccc(/C=C/C(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1OC 1860728598 QQZWTINVPJEUEV-GQCTYLIASA-N 442.726 5.665 30 10 IKEE CCCCCCCCNC(=O)[C@@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccccc1 1861562640 NSCVDVZCUQYRNC-AVKMWPRFSA-N 448.651 6.332 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)COc1cc(Cl)ccc1Cl 1861651462 XWTWUMJHESEWRA-LJQANCHMSA-N 445.431 5.524 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccccc2Cl)=C(O)C(=O)N1CCCc1ccccc1 1862429212 IOKPGUAOCLOZBE-DEOSSOPVSA-N 445.946 5.860 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(Cl)c(Cl)c1 1862443666 NWSJHAZOWSHBCE-VOJFVSQTSA-N 438.738 6.024 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@H]1c1cccc(F)c1)c1cccc(Cl)c1 1862445320 SJYINMWNTMZUSW-NRFANRHFSA-N 439.845 5.397 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 1862478195 AUSJJVXBHPIVSV-BSLALVQMSA-N 434.492 5.060 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(N(CC)CC)cc1 1862482101 JOYSPJAHSJWLBC-XMMPIXPASA-N 434.580 5.610 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2ccc(O)cc2)c1 1862490424 VMIHRNKNVIXTML-RUZDIDTESA-N 441.527 5.220 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2cccc(Cl)c2)cc1 1862503098 PNOIXIYPIBJYCB-HSZRJFAPSA-N 449.909 5.874 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862535460 ZVNGXWQIRFXDCP-FIMBPPNMSA-N 442.559 5.887 30 10 IKEE O=C(C1=C(O)C(=O)N(C23CC4CC(CC(C4)C2)C3)[C@@H]1c1cccc(F)c1)c1cccc(O)c1 1862590482 JSYWMIQWZDLSSP-PHDLEGTPSA-N 447.506 5.078 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 1862614324 ATEHHBGDEWPPDT-FYYLOGMGSA-N 433.548 5.050 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862618493 DWLHACPMTLHQDP-QFIPXVFZSA-N 448.519 5.413 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(Cl)c(Cl)c1 1862659232 ZYGYFHPISPDGHV-NRFANRHFSA-N 438.310 5.911 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)cc1 1862677087 YVKKLMFTAZMWIA-JFJYTDJESA-N 437.511 5.381 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@H]1c1ccccc1)c1ccc2ccccc2c1 1862713929 ZZQWBCHDSMCEHJ-SANMLTNESA-N 439.555 6.531 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(F)c(Cl)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1C 1862879981 OXSMSDPYMZQHTO-UHFFFAOYSA-N 445.881 5.364 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccccc3F)C2=O)cc1 1862920221 GMBLXUJMGYJOKQ-UHFFFAOYSA-N 439.490 5.391 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccccc3C(C)(C)C)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1863030409 BPZTUPKNPIXZEJ-UHFFFAOYSA-N 449.554 5.869 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(OC)c(OC)c2)=C(c2cccs2)C1=O 1863475477 IYCBVZUYZXJBAZ-UHFFFAOYSA-N 442.581 5.318 30 10 IKEE CCOC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)c1ccccc1CC#N 1866214763 HSHLHURKZGCCFJ-UHFFFAOYSA-N 432.545 6.034 30 10 IKEE CCOC(=O)c1c(NC(=O)c2ccccc2CC#N)sc(C)c1-c1ccc(Cl)cc1 1866214907 QFZAHYQDXGBDBD-UHFFFAOYSA-N 438.936 5.872 30 10 IKEE N#Cc1ccccc1Nc1cc(N2CCc3ccc([N+](=O)[O-])cc32)nc(Cc2ccccc2)n1 1868215935 LYFBEZVLGLYBAW-UHFFFAOYSA-N 448.486 5.285 30 10 IKEE Cc1ccccc1-c1nc(Nc2ccc(C#N)cc2)cc(N2C[C@@H](C)Cc3ccccc32)n1 1868310797 FRTUUSNRWKHKQN-IBGZPJMESA-N 431.543 6.398 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3ccccc3[C@@H]2C(C)C)nc(-c2cccnc2)n1 1869361829 QNKKHGKHLLAJPI-SANMLTNESA-N 425.580 5.477 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)c2sccc2C)n(-c2ccc(Cl)c(Cl)c2)n1 1870003842 MWXNPBDMDXNRFB-UHFFFAOYSA-N 448.379 5.375 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)NCC)c(=O)cc1CN(CCC)CCC 1870531754 LXJKJRRSWPBTLC-UHFFFAOYSA-N 449.680 5.126 30 10 IKEE C=CCn1cc(OCCCOc2ccc(OC)cc2)c(=O)cc1CNc1cccc(C)c1C 1871042482 QOINCAWKZBCAKT-UHFFFAOYSA-N 448.563 5.120 30 10 IKEE CCCCCCCCN=c1nc2c(cnn2C)c(Nc2ccc(OCC)c(OCC)c2)[nH]1 1871295516 QGJGTUKWSRIHTI-UHFFFAOYSA-N 440.592 5.099 30 10 IKEE CCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1cn(CC)c2ccc(OC)cc12)C3=O 1871346519 KNAVJOKGDCIVKG-KSEXSDGBSA-N 432.520 5.156 30 10 IKEE CCN(CC)CCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1cccc(F)c1)C3=O 1871349325 VBMCZXFJQYOCHN-HAHDFKILSA-N 438.543 5.024 30 10 IKEE CCc1ccc([C@H](C)N2COc3cc(C)c4c(c3C2)O/C(=C\c2ccc(C)cc2)C4=O)cc1 1871353912 BBZKHBLVDWTEGY-YIRYVTQCSA-N 439.555 6.395 30 10 IKEE CCc1ccc([C@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2sccc2C)C4=O)cc1 1871354345 NWUIMRTUYPGVHS-ICODJCHTSA-N 431.557 6.148 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(C(C)C)cc1)C3=O)CN([C@@H]1CCCC[C@@H]1C)CO2 1871355882 LCRIFPUGZIUUFC-DBWCVQPTSA-N 431.576 6.465 30 10 IKEE Cc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1[N+](=O)[O-] 1871375016 OKDWXCVBOBHDJL-FBHDLOMBSA-N 433.391 5.186 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3oc(=O)c(-c4ccc(Cl)cc4)c(C)c3c2)c1 1871388874 NATSWGJJBIZHLG-UHFFFAOYSA-N 446.886 6.206 30 10 IKEE C=CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)c1 1871388999 SVXMTQOFKFKULC-QRVIBDJDSA-N 446.886 6.049 30 10 IKEE CCOc1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(C)cc1)C2=O 1871417527 CPAATDKCZYHSGT-OYKKKHCWSA-N 429.472 5.027 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4c(C)cccc4C)cc(C)c3C2=O)cc1 1871440524 TZVBAIPLHPEOLG-OYKKKHCWSA-N 441.527 5.808 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cc(Cl)ccc4C)ccc3C2=O)cc1 1871457531 LCKMPGYSIPZNIC-KSEXSDGBSA-N 433.891 5.591 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1cccs1 1871879515 OSKWZMUDPSUWQA-SFHVURJKSA-N 441.018 5.166 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1ccc(C)cc1 1872089677 VCXSKZQRQZWCCO-XMMPIXPASA-N 442.625 5.322 30 10 IKEE C=CCN([C@H](C(=O)Nc1cccc(C(C)(C)C)c1)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1872233362 BWZOFTIKRUUITG-CVDCTZTESA-N 442.625 5.214 30 10 IKEE CCCCCCCCCCNC(=O)Cc1nonc1OCc1ccc(Cl)c(Cl)c1 1872652974 GWAUZEQYZYUHDN-UHFFFAOYSA-N 442.387 5.755 30 10 IKEE CC(=O)Nc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 1872760058 GIJKQLTXFBQVQB-QFIPXVFZSA-N 429.545 5.066 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)Cc3cc(OC)ccc3OC)n2)cc1 1872762795 WSEXFABPRWXSRQ-OAQYLSRUSA-N 434.561 5.589 30 10 IKEE COc1ccccc1CC(=O)[C@@H](C#N)c1nc(-c2ccc(Br)cc2)cs1 1872765202 JVZRDDCOYRPYHR-MRXNPFEDSA-N 427.323 5.000 30 10 IKEE COc1ccc(C)cc1-c1csc([C@@H](C#N)C(=O)[C@H](C)Oc2ccccc2C(C)C)n1 1872771146 NDOVEXFDYNQGFZ-PXNSSMCTSA-N 434.561 5.894 30 10 IKEE CC(C)c1ccc(-c2csc([C@@H](C#N)C(=O)COc3cc(Cl)ccc3Cl)n2)cc1 1872776551 RWUVMURYOXADDL-KRWDZBQOSA-N 445.371 6.496 30 10 IKEE N#C[C@H](C(=O)COc1cc(Cl)ccc1Cl)c1nc(-c2ccc(F)c(F)c2)cs1 1872780003 XLQQTNJZEPDNCN-GFCCVEGCSA-N 439.270 5.650 30 10 IKEE COc1cc(-c2csc([C@H](C#N)C(=O)c3ccccc3Cl)n2)c(OC)cc1Cl 1872782002 ASQIEEKSQJEHPF-CYBMUJFWSA-N 433.316 5.624 30 10 IKEE CCOc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2cc(C(C)(C)C)ccc2C)cs1 1872784923 AEQHIDDPJIHYIN-HXUWFJFHSA-N 448.588 6.070 30 10 IKEE CC(=O)Nc1cccc(C(=O)[C@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)c1 1872787476 KLOYYEWRKIGUBS-INIZCTEOSA-N 430.316 5.565 30 10 IKEE COc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2ccc(OC)c3ccccc23)cs1 1872787884 AOIVRFWUFBGNQS-IBGZPJMESA-N 444.512 5.236 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(C)cc2)C(=O)N(CCCCCC)C1=O 1873143287 GQICFJVGFLWDJV-UHFFFAOYSA-N 426.645 6.386 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)Nc1cccc(OCc3ccccc3)c1)n2CC=C 1873615003 KBVLXSISHNMXLA-UHFFFAOYSA-N 439.519 5.047 30 10 IKEE C=C(C)CSc1nnc(CCOc2ccccc2)n1/N=C/c1ccccc1OCCC 1874345619 YBUZCRJQFLWQLI-KOEQRZSOSA-N 436.581 5.239 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OC)cc2)n1/N=C/c1ccc(OCCC)cc1 1874349506 OZWHBACWMZLIDC-PCLIKHOPSA-N 436.581 5.217 30 10 IKEE CCSc1nnc(CCc2cccs2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874370822 SNFGNLHFCDEPBL-KOEQRZSOSA-N 448.617 5.698 30 10 IKEE COc1ccccc1/C=N/n1c(COc2ccccc2)nnc1SCc1cccc(C)c1 1874384067 WIBBEJDZKLMHTI-WGOQTCKBSA-N 444.560 5.349 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1cccc(O)c1 1874398724 CMOFSQDEOIZCQF-AEIQVQRHSA-N 448.979 5.963 30 10 IKEE Fc1ccccc1CSc1nnc(-c2ccccc2)n1/N=C/c1c(F)cccc1Cl 1874428437 IVRAGTHNBZBBBD-LGJNPRDNSA-N 440.906 6.051 30 10 IKEE Fc1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2ccc(Cl)c(Cl)c2)cc1 1874452996 YSCCIBUKOXWSDC-BRJLIKDPSA-N 449.382 6.556 30 10 IKEE Fc1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2Cl)nnc1C1CCCC1 1874457464 QCRVYWOCVFRHBX-BRJLIKDPSA-N 449.382 6.556 30 10 IKEE Cc1cccc(CSc2nnc(C(F)(F)F)n2/N=C/c2c(F)cccc2Cl)c1 1874460989 QDNPXKMGIWDIEC-PGGKNCGUSA-N 428.842 5.572 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C(C)(C)C)cc1OC 1874483068 CBQLMWLMSLRMLM-AFUMVMLFSA-N 442.560 5.297 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(O)cc1O 1874485478 XVMBGDLOYUOFKT-AFUMVMLFSA-N 432.549 5.315 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CCC2)cc1 1874497369 GYRLMBNKRARPOR-WYMPLXKRSA-N 447.391 6.036 30 10 IKEE CCSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1/N=C/c1ccccc1 1874541931 ZOONDQQUMRSBIR-OEAKJJBVSA-N 435.380 5.591 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1OCc1ccc(Cl)cc1 1874579188 AZVWAOJRURPIGE-XYOKQWHBSA-N 447.745 7.131 30 10 IKEE CCN(CC)C(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(OC)cc1OC 1874588297 ZLJXKCZQIPJCJM-CCEZHUSRSA-N 447.531 5.000 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2)c(Br)c1OCc1ccccc1 1874597716 AXBUFOLTGUXKKE-UKTHLTGXSA-N 441.296 6.072 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3c(Cl)cccc3Cl)c(Cl)c2)cc1 1874609508 VNBCQYYXHDBONF-VZUCSPMQSA-N 447.745 7.131 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)NCc3ccccc3)c(Cl)c2)c(C)c1 1874615324 RNQHSDXRGZDSNF-FMIVXFBMSA-N 433.935 5.548 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)cc1F 1874621800 VHTNEZLDZRIGJG-KPKJPENVSA-N 433.479 5.365 30 10 IKEE O=C(COCc1ccccc1)Oc1cccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1 1874695745 PZMJXRYOGLSELC-FMIVXFBMSA-N 441.310 6.012 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OC(=O)COc1ccc(C)c(C)c1 1874702635 BALZPDOXIDQTPN-MDWZMJQESA-N 430.500 5.501 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1OC(=O)Cc1cc(C)ccc1C 1874707710 SCILHBGPQGDSRU-RMKNXTFCSA-N 444.483 5.085 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OC(=O)COc1ccccc1 1874708152 OSNIQJJJIQFXJJ-OQLLNIDSSA-N 430.500 5.699 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc4c(c3)OCO4)c2)c1C 1874711189 TXNZYZHKGMZEMD-CSKARUKUSA-N 428.484 5.764 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1)c1cccc(Cl)c1 1875104845 QWIIGKHXKFTGOX-IZZDOVSWSA-N 431.702 6.762 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(CCCC)cc2)cc(OC)c1OC(=O)[C@@H]1CCCO1 1875108111 YLSYKEFGZUCFPS-BEWKRWDNSA-N 448.559 5.747 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(Br)c3)cc2)cc1 1875112417 HRJLWYLTIPEQQB-VGOFMYFVSA-N 437.289 5.573 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC(=O)CC(C)(C)C 1875116388 ZDRMXCQEGHGUHJ-MDWZMJQESA-N 437.492 5.570 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC)c(OCC)c2)cc1OCCC 1875123980 NLFFNCIRYJCRNZ-FMIVXFBMSA-N 440.536 5.874 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc([N+](=O)[O-])c1OC(=O)C(C)(C)C 1875124892 HLSOSLOOPJLFNP-RMKNXTFCSA-N 433.407 5.119 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1)c1ccccc1 1875127510 JGKDHSYRIKSTQU-XNTDXEJSSA-N 442.471 5.310 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3cc(OC)ccc3OC)cc2)cc1 1875145400 KKWOADNQOZMRRZ-OVCLIPMQSA-N 446.499 5.147 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)Cc1ccccc1 1875163214 ADPFKXIFNNMZCP-JLHYYAGUSA-N 448.465 5.746 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 1875177091 UYHGFTTUDALNDJ-JLHYYAGUSA-N 445.471 5.726 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3F)cc2)cc1Cl 1875186993 IZEWLFJBEDQKGR-ONNFQVAWSA-N 428.818 5.742 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cnc(C)cn3)c(Cl)c2)cc1Cl 1875187026 JVXJDGRYADKOKT-ZZXKWVIFSA-N 443.286 5.216 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](CNC(=O)OC(C)(C)C)C1CCCCC1 1922126342 TVHHURQAHLHHSN-LOSJGSFVSA-N 444.660 5.849 30 10 IKEE Cc1cc(F)c([C@@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)c(Br)c1 1954140655 QOSRJMXQRCJCJS-GOSISDBHSA-N 433.321 5.899 30 10 IKEE CN(C(=O)OC(C)(C)C)C1([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)CC1 1978440143 CIHZVXWDIKESPB-KRWDZBQOSA-N 435.952 5.373 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@](C)(C#N)[C@@]1(C)CCN1C(=O)OC(C)(C)C 1999897393 NOQDHOYPAWJIBG-DHIUTWEWSA-N 449.979 5.763 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)C(C)(C)[C@H](NC(=O)OC(C)(C)C)C(F)(F)F 2012163145 XSVKCHFALADBHS-MOPGFXCFSA-N 444.538 5.219 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)C2(CCCC2)C1 2018644364 BSZPEERNGCNWDZ-UUOWRZLLSA-N 435.609 5.628 30 10 IKEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(C)cc1 2032559741 AKJKGCKHBMWJGM-CLOONOSVSA-N 443.588 5.666 30 10 IKEE C[C@H](N(Cc1ccccc1)Cc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1)C(C)(C)C 2034763122 GBTZGZCWWSWTGT-IBGZPJMESA-N 425.397 5.562 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(Cl)cccc1Br 2041200478 JGXWGWFLCQLUAG-DOTOQJQBSA-N 429.786 5.060 30 10 IKEE CCCCCCCC[C@H](NC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2041903411 QJRJBWMKTZWAAQ-IGKIAQTJSA-N 446.676 6.169 30 10 IKEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](N(Cc2ccccc2)C2CN(C(=O)OC(C)(C)C)C2)C1 2054196168 DQUANUIJGMDMSY-ZDXQCDESSA-N 439.644 5.853 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C(C)(C)C1 2065980690 BDRZZXWDNVGBPB-RUZDIDTESA-N 449.636 5.876 30 10 IKEE C=C(C[C@H](NCCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)OC 2071268434 XNXMSUHILXUSGJ-SANMLTNESA-N 431.576 6.436 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C12CCCCC2 2072201999 KNEZILFDSVXJMR-QFIPXVFZSA-N 448.568 5.140 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@H](C#N)[C@@]1(C)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2078865049 KGNTXTCBNKTUHJ-UQBPGWFLSA-N 449.636 5.874 30 10 IKEE CCCOc1ccc([C@H](CC)n2nc(C(F)(F)F)c(C=NO)c2Br)cc1 2080089513 XARHSFNUNLOVAL-AWEZNQCLSA-N 434.256 5.261 30 10 IKEE C=CCN(C[C@H](Cc1cccc(Br)c1C)NCCC)C(=O)OC(C)(C)C 2087429524 LLBPCHRFFLQVLM-SFHVURJKSA-N 425.411 5.091 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CC[C@H]2[C@H](C1)C2(F)F 2090784343 HAUXFPDMLDPSAM-RLFYNMQTSA-N 427.289 5.518 30 10 IKEE CCc1ccc(Nc2ccc(Br)cc2C#N)cc1I 2128720808 BQGQMMFRTICXNX-UHFFFAOYSA-N 427.083 5.231 30 10 IKEE CCCCCCCCC[C@H](N)c1ccc(Br)cc1I 2142284013 XIHXTUPZPXYIQX-INIZCTEOSA-N 438.191 6.194 30 10 IKEE CC(C)(C)OC(=O)N1CCCc2cc(Nc3ccc(C#N)c(Br)c3)ccc21 2162419062 ANFQIOHEXMFDOE-UHFFFAOYSA-N 428.330 5.752 30 10 IKEE CC(C)(C)OC(=O)NCC1(CNc2cc(Br)cc(F)c2C#N)CCCCC1 2163689879 LKFWOGCYAKXIFI-UHFFFAOYSA-N 440.357 5.347 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(Nc2cccc(Br)c2)C[C@@H]1C1CCC1 2194184563 CEYGDRZWNPMKGL-NQIIRXRSSA-N 434.378 5.323 30 10 IKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(C(F)(F)F)ccc1Br 2228071603 CUPZVQRQNHNRQA-IAQYHMDHSA-N 435.284 6.068 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Cl)c(Cl)c(Cl)c1 2232513972 SLPWTFFLNKANHV-WMZOPIPTSA-N 433.807 5.994 30 10 IKEE C=C(CC)COc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C(=O)O)c1 2243586998 ZCTYLSGRWUETBL-UHFFFAOYSA-N 443.499 6.091 30 10 IKEE C=CCCC1([C@@H](NC)c2c(F)cccc2Br)CN(C(=O)OC(C)(C)C)C1 2266302826 QRCOALFJMFRAGH-KRWDZBQOSA-N 427.358 5.052 30 10 IKEE C=CCCC1([C@H](N)c2c(Cl)ccc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2266310656 RHIUAHQXGZMENV-MRXNPFEDSA-N 447.776 5.445 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(Br)c(C#N)c2)C[C@H]1C(F)(F)F 2294644221 ZKYMQYYKLYSEBN-HIFRSBDPSA-N 448.283 5.063 30 10 IKEE Cc1ccc(N=C2NC(=O)C(=Cc3cccc(OCc4ccccc4)c3)S2)cc1Cl 2297366987 UGOFPXFTYRGYPE-UHFFFAOYSA-N 434.948 6.119 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2313009027 KBGQXZSQAGWLRP-QNRRCFITSA-N 447.620 5.532 30 10 IKEE C[C@@H]1CCc2c(sc(NC(=S)NC(=O)C=Cc3ccc(-c4ccccc4)o3)c2C#N)C1 2313785485 XJHHLEGAINYBIS-OAHLLOKOSA-N 447.585 5.531 30 10 IKEE O=C(C=Cc1ccccc1Cl)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 2314430033 UUQRNDWYPRAZFS-UHFFFAOYSA-N 441.708 6.218 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)cc1 2314438432 SFRCFNXZUJUOIH-UHFFFAOYSA-N 443.455 5.728 30 10 IKEE CC(=C1SC(=Nc2cccnc2Cl)N(C2CCCCC2)C1=O)c1cccc(N)c1 2314542387 KGBOWKIEHQSANX-UHFFFAOYSA-N 426.973 5.644 30 10 IKEE CSC1(C#C[C@@H](N)c2ccc(NC(=O)OC(C)(C)C)c(Br)c2)CCC1 2314668860 NRIILWBZLDANHV-OAHLLOKOSA-N 425.392 5.085 30 10 IKEE COc1ccc(C=NNc2oc([C@@H]3C[C@@H]3c3ccccc3)nc2C#N)cc1Br 2320837412 VDWGDEHUZKLPGV-HZPDHXFCSA-N 437.297 5.034 30 10 IKEE COc1cccc(C=C2Oc3cc(OCC=Cc4ccccc4)cc(C)c3C2=O)c1OC 2321813881 WSYSCNCGJAFUAP-UHFFFAOYSA-N 428.484 5.721 30 10 IKEE CC(C)c1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc2nccnc2c1 2321839879 HFGMAUIKXLSCJJ-UHFFFAOYSA-N 440.935 5.312 30 10 IKEE C=Cc1ccc(COc2cc(C)c3c(c2)OC(=Cc2ccc(Cl)cc2Cl)C3=O)cc1 2321876105 NMULCXLOPGPJJZ-UHFFFAOYSA-N 437.322 7.140 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc4c3CN(Cc3ccc(F)cc3)CO4)C2=O)cc1 2322052007 CWOHDBDVNRGDMH-UHFFFAOYSA-N 431.463 5.193 30 10 IKEE CCc1ccc([C@H](C)N2COc3ccc4c(c3C2)OC(=Cc2cccc(F)c2)C4=O)cc1 2322259920 HYDJOKLLUANMEL-KRWDZBQOSA-N 429.491 5.917 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccccc1Cl)C3=O)CN([C@H](C)c1ccccc1)CO2 2322371286 OMKXEASLLQZLOX-QGZVFWFLSA-N 431.919 6.178 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(C(C)C)cc1)C3=O)CN([C@H](C)c1ccccc1)CO2 2322371297 QAILXZDWGLSQEF-HXUWFJFHSA-N 439.555 6.648 30 10 IKEE CCCCCCCCCCN1COc2c(cc3c(c2C)OC(=Cc2cccs2)C3=O)C1 2322390990 DSOCJBJPVNLWMN-UHFFFAOYSA-N 439.621 6.965 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)c1OCc1ccccc1Cl 2322687658 MTBBNEGSSHDNPK-UHFFFAOYSA-N 434.963 7.121 30 10 IKEE CCc1ccc(NC(=O)COc2cc(C=CC(=O)c3ccccc3OC)ccc2OC)cc1 2323101677 JYIFDDAVSYIFCJ-UHFFFAOYSA-N 445.515 5.180 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCSC)NC(=O)C=Cc1ccc(C(C)C)cc1 2323259692 RIPDVEQZHCYRQB-QHCPKHFHSA-N 432.674 5.538 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC)c2Br)c(OCC)c1 2323286050 DPCMBBSKVDSBAN-UHFFFAOYSA-N 435.314 5.160 30 10 IKEE Cc1c(OC(=O)c2cccc(F)c2)ccc2c1OC(=Cc1ccc(Cl)cc1Cl)C2=O 2323300067 UUZSKTUWSIYIHZ-UHFFFAOYSA-N 443.257 6.276 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)ccc2OC)cc1OCc1cc(C)ccc1C 2323331835 RSQRFHPSAASPOX-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O)c1ccc(C(F)(F)F)cc1 2323347679 CYLXATDXQMJMAO-UHFFFAOYSA-N 428.337 5.680 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)cc(Cl)c1OCc1ccccc1C 2323702437 CMUVFCWRXNNNJD-UHFFFAOYSA-N 436.935 6.531 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)ccc1OCc1ccc([N+](=O)[O-])cc1 2323713908 MWFDZSQUSXJANG-UHFFFAOYSA-N 433.460 5.477 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OCc1ccc(Cl)c(Cl)c1 2323777432 FUGCUYNLKSUYEK-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc3C2=O)cc1 2323812739 BKPQMCDTHZRQTR-UHFFFAOYSA-N 444.483 5.708 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OCc1cccc(Cl)c1 2323812804 MYHRSRWIDPCHQC-UHFFFAOYSA-N 427.327 6.867 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(C)cc2)C3=O)cc1 2323865643 FZZVKOOTZOJEFW-UHFFFAOYSA-N 426.468 5.704 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4cccc(OC(=O)C(C)C)c4)ccc3C2=O)cc1 2323908819 ANNFLPWRNTWBAX-UHFFFAOYSA-N 442.467 5.392 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1Cl 2323969321 PWIAAGGQNFPGBF-UHFFFAOYSA-N 431.935 5.711 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OCC(=O)NCc1ccccc1 2323985069 RWPSNLMULVGVBD-UHFFFAOYSA-N 447.506 5.124 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1 2324155777 PTBILVVKDYHMHJ-UHFFFAOYSA-N 425.355 7.592 30 10 IKEE C=CCOc1c(Br)cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1OCC 2324381035 ZLKBHBWVUQJIKE-UHFFFAOYSA-N 445.353 5.934 30 10 IKEE COc1cc(C(=O)C=Cc2ccc(OCc3cc(C)ccc3C)cc2)c(OC)cc1Cl 2324405717 POCVMMIBSYLWRW-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2sccc2C)C3=O)cc1 2324454138 CHWLYBMZPYJKHN-INIZCTEOSA-N 449.528 5.396 30 10 IKEE Cc1cccc(OCCCCOc2ccc3c(c2C)OC(=Cc2sccc2C)C3=O)c1 2324574072 IYOLWIINGVPRIE-UHFFFAOYSA-N 434.557 6.528 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3cccc(F)c3)c([N+](=O)[O-])c2)cc1Cl 2324611437 OORKLAWGGAHWIG-UHFFFAOYSA-N 441.842 5.871 30 10 IKEE COc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc1OC 2324787728 IDASCWSKVLABOE-IBGZPJMESA-N 432.545 5.642 30 10 IKEE CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(F)cc2)C3=O)c1 2324825749 XNGFZXVSQYAFDU-MRXNPFEDSA-N 445.446 5.051 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OCC(=O)N[C@@H](C)c4ccccc4)c3C)C2=O)cc1 2325019868 CRFXWYDEWPFZRQ-IBGZPJMESA-N 441.527 5.430 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccc(C)cc4Cl)c3C)C2=O)c1 2325299255 OEYBGVDVBNCVMZ-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE Cc1c(O[C@H](C)C(=O)Nc2ccc(C#N)cc2)ccc2c1OC(=Cc1cccc(F)c1)C2=O 2325302164 CAUHHPJTPFTUKX-MRXNPFEDSA-N 442.446 5.028 30 10 IKEE CCCCCOc1ccc(C=Nn2cnnc2SCc2cccc(C)c2)cc1OCC 2325648801 ZYSLOTAAWGEDTH-UHFFFAOYSA-N 438.597 5.729 30 10 IKEE Clc1ccc(C=Nn2cnnc2SCc2ccc(Cl)c(Cl)c2)cc1Cl 2325668798 TUCOMZKMRYFKSM-UHFFFAOYSA-N 432.163 6.066 30 10 IKEE Cc1c(OCCN2CCCCC2)ccc2c1OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2325701554 MPQSWMUVDNOMEZ-UHFFFAOYSA-N 439.555 6.143 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OC(=O)c2ccc(OC(C)=O)cc2)c1 2325743405 HVNDJKVAALTUOU-UHFFFAOYSA-N 430.456 5.044 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OC(=O)Cc1ccccc1Cl 2325759701 GMZYUKFTDLYNQP-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE CCCOc1ccc(C=Nn2cnnc2SCc2ccc(C)cc2)cc1Br 2326287324 SVBJKTRDYDNMPL-UHFFFAOYSA-N 445.386 5.312 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1N=Cc1c(O)ccc2ccccc12 2326385989 BYUCCSXRGJTQDG-UHFFFAOYSA-N 430.577 5.962 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCC(=C)C)n1N=Cc1ccc(CC)cc1 2326460869 NFWWRPNJNQPWQW-UHFFFAOYSA-N 448.592 5.535 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCC=C)n1N=Cc1cccc(Cl)c1 2326473535 KCYFBRUFIHCLBV-UHFFFAOYSA-N 440.956 5.236 30 10 IKEE CCCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc(C(=O)O)cc1 2326615554 JNYGCYNFISOWQO-UHFFFAOYSA-N 444.560 5.299 30 10 IKEE Fc1cccc(CSc2nnc(COc3ccc(Cl)cc3)n2N=Cc2ccc[nH]2)c1 2327527223 HNEHPIWWUXWPOX-UHFFFAOYSA-N 441.919 5.152 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1cccs1 2328445496 LRKKEKDORRBUSI-UHFFFAOYSA-N 449.561 5.322 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3cccc(F)c3)n2N=Cc2ccco2)cc1 2328564860 PONKGBANQQOJBU-UHFFFAOYSA-N 436.512 5.174 30 10 IKEE COc1ccc(C=Nn2c(CCOc3ccccc3)nnc2SCc2ccccc2)cc1 2329189941 VWGLEUWHZAGDJC-UHFFFAOYSA-N 444.560 5.083 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3F)n2N=Cc2cccn2C)cc1C 2329423838 FNZZAAMRIHFRSQ-UHFFFAOYSA-N 433.556 5.138 30 10 IKEE Oc1ccc(C=Nn2c(SCc3ccccc3)nnc2-c2ccccc2Cl)cc1O 2329573758 VSGBNBAFMOWFNF-UHFFFAOYSA-N 436.924 5.184 30 10 IKEE CCCCCOc1ccc(C=Nn2c(CCc3cccs3)nnc2SCCC)cc1 2329674439 UFWZQPSKICMRRV-UHFFFAOYSA-N 442.654 6.078 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccc(F)cc3)n2N=Cc2cccs2)c1 2329842536 VOPWEPZYSURUAP-UHFFFAOYSA-N 436.581 5.861 30 10 IKEE COc1cccc(C=Nn2c(CC3CCCCC3)nnc2SCCc2ccccc2)c1 2330275962 IGPRBQBDDOXORQ-UHFFFAOYSA-N 434.609 5.627 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3cccs3)n2N=Cc2ccccc2Cl)c1 2330583505 DTOBPFNKCKWRMU-UHFFFAOYSA-N 439.009 6.451 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccccc2Cl)cc1OC 2330910385 WIWJAPZDFGKNOU-UHFFFAOYSA-N 435.347 6.774 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2cccc(F)c2)nnc1[C@@H]1CCCO1 2330935062 MIKLKDVTULSULB-NRFANRHFSA-N 440.544 5.232 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc(N(C)C)cc1 2330943663 CXQFJDOPUGADJV-UHFFFAOYSA-N 449.934 5.920 30 10 IKEE CCCCCCOc1ccc(C=Nn2c(SCC)nnc2[C@H]2CCCO2)cc1OC 2330944221 YHTINAKBPSPHTC-LJQANCHMSA-N 432.590 5.092 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc(Cl)ccc3Cl)cc2)cc1 2330952113 GKGMLDURBXVQGP-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)c(C)c3)c([N+](=O)[O-])c2)cc1 2330968008 KBFAXBPXSROASY-UHFFFAOYSA-N 449.434 5.095 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(Cl)cc2)cc1)c1cccc(Br)c1 2330994153 VFPHGSBJQWBFEJ-UHFFFAOYSA-N 441.708 6.218 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 2331017823 GWXXQULIZKMYIP-UHFFFAOYSA-N 445.471 5.428 30 10 IKEE CN(C)c1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CCCC2)cc1 2331077637 OBRIGFYGMFBPPW-UHFFFAOYSA-N 440.016 5.830 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)c1ccc(OC(C)=O)cc1 2331179465 ZRBREWFJNIUGFD-UHFFFAOYSA-N 430.456 5.126 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1-c1ccccc1 2331180243 MAHGAPKMFPTRLZ-UHFFFAOYSA-N 448.518 6.868 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)c1cncc(C)c1 2331226509 FBGNVRCIBGHPAA-UHFFFAOYSA-N 449.934 6.174 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)cc3)c(OCC)c2)cc1 2331307445 UHTVVAGXDFNTIW-UHFFFAOYSA-N 444.527 6.298 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc2c(c1)OCCO2 2331405326 GZXDCPUSGOUDGC-UHFFFAOYSA-N 442.972 5.175 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OC(=O)Cc1ccccc1F 2331484945 DIDZALVWXGBUFM-UHFFFAOYSA-N 440.470 6.032 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2ccc(Cl)cc2)cc1 2331499899 COFOOVQYSAIZCJ-UHFFFAOYSA-N 439.972 5.120 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1cc2ccccc2n1C 2331571202 CGYXHPIDJQDOMG-UHFFFAOYSA-N 447.437 5.580 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3)c(Cl)c2)c(C)c1C 2331612813 GRMPQKUUALQABK-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3F)c(OC)c2)cc1Cl 2331834935 CLMCRJBBWAEPBH-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE CCCCCCOc1ccc(-n2nnc(C#N)c2NC(=O)C=Cc2ccc(Cl)cc2)cc1 2332187516 PLNGKJXVGGDYOR-UHFFFAOYSA-N 449.942 5.403 30 10 IKEE CC1(C)OB(C=Cc2ccc(Oc3cc(Cl)ccc3Br)nc2)OC1(C)C 2365111328 DKNMKEGOQBASRO-UHFFFAOYSA-N 436.542 5.934 30 10 IKEE CC(C)(C)c1ccc2oc(-c3ccc(/N=C/c4cc(Cl)cc(Cl)c4O)cc3)nc2c1 1921479 YWPUGEQCRQZUGZ-UVHMKAGCSA-N 439.342 7.555 30 10 IKEE CCCCCOc1ccc(/C=C2\CC/C(=C\c3ccc(OCCCCC)cc3)C2=O)cc1 4826317 LQPOYLDVQBSJKO-CDTUYSNOSA-N 432.604 7.655 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3c(OCC)ccc4ccccc34)ccc21 8958733 LYMUJFFKJHATOG-UHFFFAOYSA-N 444.531 5.428 30 10 IKEE CC1(C)C(=S)N(c2ccccc2Cl)/C(=N/C2CCCCC2)[C@H]1N1CCSCC1 15861714 KIBGZXXEKNJNQP-ICBALBMBSA-N 436.090 5.662 30 10 IKEE N#CC1(C#N)[C@H](c2cccc(F)c2)[C@H](C(=O)c2ccc(F)cc2)N2c3ccccc3C=C[C@H]21 16037462 YBPJLLRZEYXKSF-ISJGIBHGSA-N 437.449 5.249 30 10 IKEE CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2F)cc1 21226751 GMKROOPHKSQSFC-VKGTZQKMSA-N 440.562 7.103 30 10 IKEE CCc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)cc1 21249764 OPOVNYYUSLIFOR-WINIVTDRSA-N 428.963 6.882 30 10 IKEE CCC(C)(C)[C@@H]1CCc2sc3ncnc(N/N=C\c4c(Cl)cccc4Cl)c3c2C1 33097079 ZMUWKRLESJFUPP-ZMDPPLQJSA-N 447.435 6.985 30 10 IKEE CCN(CC)C(=O)c1sc(NC(=O)/C=C\c2ccc(Cl)cc2Cl)c(C#N)c1C 33288744 VZCGBAQSCIXZDI-CLFYSBASSA-N 436.364 5.369 30 10 IKEE O=C(/C=C\c1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1)c1ccc(Br)cc1 33761652 SEPAHOILTXRJPS-OPCYYNASSA-N 435.292 6.380 30 10 IKEE C=CCN1C(=O)c2[nH]nc(-c3c(C)cc(C)cc3O)c2[C@@H]1c1ccc(OCCCCC)cc1 38705351 WUPHYRLABPLMEH-SANMLTNESA-N 445.563 5.699 30 10 IKEE C=CCOc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccco2)cc1 39839638 YEIUPMMNPQESKF-QFIPXVFZSA-N 447.874 5.350 30 10 IKEE COc1ccc(/C(C)=C2\S/C(=N/c3cccnc3Cl)N(c3ccccc3)C2=O)cc1 39864079 DBFNSLYGKSHSOS-PKPRBZMYSA-N 435.936 5.942 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(OCCCC)c(OC)c2)S/C1=N/c1nc(C)cs1 39865370 PMBQIUFDULQWQJ-ZOVWXIRQSA-N 443.594 5.429 30 10 IKEE Cc1c(/N=N/c2cccc(Br)c2)c(O)n([C@H](C)c2ccccc2)c(=O)c1C#N 39871515 GMAXUOGBTQWWGD-INRROWENSA-N 437.297 5.521 30 10 IKEE Cc1cc(C)c2c(c1)c(C)cc1nnc(SCCC(=O)Nc3sc(C)c(C)c3C#N)n12 40170774 KPAGSFLJNUTRJY-UHFFFAOYSA-N 449.605 5.479 30 10 IKEE Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=S)Nc2ccccc2)CCC3)c1C 40825091 RXLOTOAPUBKIGP-VFCFBJKWSA-N 446.576 5.484 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(OC)c(OC)c4)c3C)C2=O)cc1 41289487 OTLOVYHKXFZEON-OYKKKHCWSA-N 444.483 5.410 30 10 IKEE O=C1C2=C(Nc3nn(-c4ccccc4)c(O)c3[C@@H]2c2ccc(Cl)cc2)c2ccccc21 59060822 FADIMSXSEQOYIB-LJQANCHMSA-N 425.875 5.396 30 10 IKEE Oc1ccccc1/C=N/c1cc(C(F)(F)F)ccc1Oc1ccccc1Cc1ccccc1 59506993 AMSZMSRVRWEFQV-FDAWAROLSA-N 447.456 7.545 30 10 IKEE C=CCOC(=O)c1sc(NC(=O)c2ccc(C(C)(C)C)cc2)c(C(=O)OCC)c1C 96507280 SRQMWFQJBRTNCQ-UHFFFAOYSA-N 429.538 5.126 30 10 IKEE CCCCCCCOc1cccc(NCC(=O)Nc2cccc(NC(=O)CC)c2C)c1 100090510 MVDSLUDBHYQEAH-UHFFFAOYSA-N 425.573 5.743 30 10 IKEE CCCCCCCCCCCCCC(=O)NCc1ccc(OCCC(C)C)c(OC)c1 100442743 KKINAEWFHBYFND-UHFFFAOYSA-N 433.677 7.437 30 10 IKEE O=C(C[C@H](/N=C\c1ccccc1Cl)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 101321624 JAVCPZROVXFRMI-HNJRTNGCSA-N 434.106 5.679 30 10 IKEE CCCCCCCC(=O)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)[C@@H](C)CC 102991035 DILPGWNXQGHZIB-QHCPKHFHSA-N 440.628 5.839 30 10 IKEE CCCCCCCCc1nnc(NC(=O)Cn2c(-c3cccc(C)c3)n[nH]c2=S)s1 104986806 ZBOSNZKXSFTTIV-UHFFFAOYSA-N 444.630 5.309 30 10 IKEE CCCCCCCCCCCC(=O)O[C@@H](CCCCCCCCCCC)CC(=O)O 111429852 IKRFTYQBIVDIMM-DEOSSOPVSA-N 426.682 8.215 30 10 IKEE CCN1C(=S)N[C@@H](c2ccc(Oc3ccccc3)cc2)C(C(=O)c2ccccc2)=C1C 169931482 XHZSIUQXYHGEKR-DEOSSOPVSA-N 428.557 5.887 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(F)cc1 170065472 KLEZCNANGFBPOL-DEOSSOPVSA-N 433.454 5.062 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(O)cc2)ccc1OC(C)C 170132848 KFGXUJDINMMWCL-XMMPIXPASA-N 443.499 5.271 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C2CCCCC2)c1 170145401 IJENBQZVQHOLFF-NRFANRHFSA-N 444.358 6.213 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1cccc(C)c1 170147590 ZMVLDNVUSIWPFD-RUZDIDTESA-N 449.591 6.107 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@@H]1c1cccs1 170165546 LXJYOQHYGSSZFX-IBGZPJMESA-N 433.957 5.569 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccncc2)cc1 170202025 GPFMZBUKGZSQAW-XMMPIXPASA-N 436.467 5.026 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(F)cc2)cc1 170238288 SIMGGZUONBVCLV-QFIPXVFZSA-N 435.426 5.146 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccccc1F 170249742 IRUUVRQXYYWRNX-XMMPIXPASA-N 445.490 5.704 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1c[nH]c2ccccc12 170254290 JMJPYQHZDZCNAA-XMMPIXPASA-N 438.483 5.268 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(CC)cc2)cc1 170265491 KZKAGLOIFJGSGL-RUZDIDTESA-N 441.527 5.821 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccc(C)o2)c1 170299988 VPAFCVAXXTYPOZ-VWLOTQADSA-N 441.527 5.867 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)ccc1O 170464040 GRBXNFAHUNOEPR-LJQANCHMSA-N 447.890 5.099 30 10 IKEE CCCCCCCc1ccc(-c2ccc(C(=O)Oc3ccc(OCCCC)cc3)cc2)cc1 200806911 HIMIJDYFTLDLJP-UHFFFAOYSA-N 444.615 8.265 30 10 IKEE CC[C@H](C)Oc1c(/C=C2/SC(=Nc3ccccc3)N(CCOC)C2=O)cccc1OC 252619142 LNIFIALKAWDNAG-CDWCNJIQSA-N 440.565 5.123 30 10 IKEE Cc1cc(C)c2nc(NN=Cc3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)cc(C)c2c1 254486256 YQFAWMSZXARXJQ-UHFFFAOYSA-N 444.520 5.455 30 10 IKEE CCCOc1ccc(C=NN(C)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c(O)c1 254499385 WYIGXMWSNDTVFP-UHFFFAOYSA-N 438.531 5.775 30 10 IKEE CCOc1ccc2ccccc2c1/C=C1/SC(=Nc2cccc(C(=O)O)c2)N(C)C1=O 254771429 MYOJNBBTEKBGAU-ZOQGDPGVSA-N 432.501 5.171 30 10 IKEE CCOC(=O)c1sc(N=Cc2cc(Br)c(O)c(Br)c2)cc1C 254817121 XGHJOALDIHPXDX-UHFFFAOYSA-N 447.148 5.214 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1/N=C\c1c(O)ccc2ccccc12 526802901 NJSKKJRLKJAGIN-YSMPRRRNSA-N 434.540 5.793 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1ccc(OCC)cc1OCC 526808019 MTHWHKJDWFLXND-XYGWBWBKSA-N 438.597 5.511 30 10 IKEE COc1ccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2cccc(C)c2)cc1 526808890 QJPYKFDAVNVDOC-IMRQLAEWSA-N 442.588 5.555 30 10 IKEE Fc1cccc(Cl)c1CSc1nncn1/N=C\c1cccc(Br)c1 526817440 NHYJMZSQLZPPFS-WNFQYIGGSA-N 425.714 5.008 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccc(C)o2)c1 526819650 ZVBGBMFWAAWAIS-QQXSKIMKSA-N 430.577 5.756 30 10 IKEE C[C@H](C[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1)c1ccccc1 698455643 FOXDYFHAUHCHGA-UZLBHIALSA-N 429.358 6.277 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@@H](C#N)c1cccc(Br)c1Cl 706501282 VMDGDEQWDHHGFQ-INIZCTEOSA-N 439.712 6.248 30 10 IKEE C=C1CCC(C[C@H](NCC)c2cc(NC(=O)OC(C)(C)C)ccc2Br)CC1 724608170 UAFSIMHMCQNOCZ-FQEVSTJZSA-N 437.422 6.583 30 10 IKEE O=C(/C=C/c1ccc(Oc2cccc([N+](=O)[O-])c2)cc1)c1ccc(C(F)(F)F)nc1O 752238898 ZEVBCQYKQAVWNY-UXBLZVDNSA-N 430.338 5.403 30 10 IKEE C=C1CC[C@@H](O)C/C1=C/[C@H](O)[C@]1(O)CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@H](C)/C=C\[C@H](C)C(C)C 1083806343 KXILCRGOVVVVRF-OXOBSEIFSA-N 430.673 5.807 30 10 IKEE Clc1ccccc1COc1ccccc1C=NNc1nc(SC2CCCCC2)n[nH]1 1083940603 KINDYONFEHOBEL-UHFFFAOYSA-N 441.988 5.908 30 10 IKEE Oc1ccc(Br)cc1C=Nc1cc(-c2ccccc2)nn1Cc1ccccc1 1084171985 OHZFJSWFMUMSQM-UHFFFAOYSA-N 432.321 5.817 30 10 IKEE CCN1C(=O)C[C@H](C(=O)Nc2ccc(C)c(Cl)c2)SC1=Nc1cccc(Cl)c1 1084379252 BRQPBGDHMMMNGS-QGZVFWFLSA-N 436.364 5.282 30 10 IKEE CON=C1CC(C)(C)Cc2c(-c3ccn(C(=O)Nc4ccccc4)n3)sc(SC)c21 1088735189 BDQDVNMPIPSJDV-UHFFFAOYSA-N 440.594 5.737 30 10 IKEE C=CCN(Cc1cccs1)c1nnc(-c2nnc(O)c3ccccc23)n1CCCCC 1508006615 IIUOFYXYGIMYOK-UHFFFAOYSA-N 434.569 5.038 30 10 IKEE Cc1ccc([N+](=O)[O-])c(C)c1[C@H](C#N)OC(=O)[C@@H]1[C@H](/C=C(/Cl)C(F)(F)F)C1(C)C 1614949801 OFRLMCIHHTXJPU-AFGDEQFKSA-N 430.810 5.277 30 10 IKEE C=CCC(C)(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCc2c(ccnc2O)C1 1705802476 MUDXJTRZGCFYSY-UHFFFAOYSA-N 449.624 5.144 30 10 IKEE CCOc1ccc(-c2nc3ccc(C(=O)Nc4ccc(C#N)cc4)cc3[nH]2)cc1OCC 1859442114 NDALQALJJKVJEW-UHFFFAOYSA-N 426.476 5.151 30 10 IKEE CCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)COc1ccc(C)cc1C(C)(C)C 1861628481 ASLNIMWLJNFRIS-QFIPXVFZSA-N 430.633 5.139 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(CCCC)cc2)n(Cc2ccccc2F)n1 1862334239 HIIZPLXERCHSQH-UHFFFAOYSA-N 431.555 5.894 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1cccc(C)c1 1862380149 VBHZQKBUSKIGKD-OAQYLSRUSA-N 446.374 6.460 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(C(C)(C)C)cc1 1862381943 CFZASVPEMMFYNK-HXUWFJFHSA-N 446.374 6.278 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccc(Cl)cc2Cl)cc1 1862394315 LDDWKCOGMISLCU-NRFANRHFSA-N 446.374 6.323 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2cccc(O)c2)c1 1862443292 OEWIBFDQPSVZNA-QHCPKHFHSA-N 447.918 5.441 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2cccc(C)c2)cc1 1862475801 VDTGYUNFYHDGMG-XMMPIXPASA-N 429.491 5.264 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(Br)c2)cc1 1862488218 TXUVVTJJISKZPX-FQEVSTJZSA-N 440.337 5.278 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(C)cc2)cc1 1862533793 OQGILHXBINPETN-XMMPIXPASA-N 429.491 5.475 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccccc2Cl)cc1 1862556547 ZJPXOYYGVIRJJD-QHCPKHFHSA-N 446.934 5.263 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2Cl)cc1F 1862640998 OCCBHYGSVGVEKG-FQEVSTJZSA-N 429.875 5.009 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc(F)c1)c1cccc2ccccc12 1862650549 YFPWGVHMKRCCGL-XMMPIXPASA-N 438.458 5.152 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccccc2)cc1 1862660873 QYYZCFCUXHFNPH-XMMPIXPASA-N 429.491 5.728 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862666165 XFJLBJVZLXAFLC-QFIPXVFZSA-N 436.508 5.487 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1862669715 CPMSIMPULJIQKU-HXUWFJFHSA-N 440.883 5.112 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(Cl)cc3C)C2=O)cc1 1862893069 IPIBQHJUFKWDCA-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(F)cc2Cl)=C(c2cc(Cl)ccc2Cl)C1=O 1863390121 BGWNBEYKGOYGIS-UHFFFAOYSA-N 425.674 5.164 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(OC)cc2)=C(c2ccccc2Cl)C1=O 1863438749 KSDHEHSDDBPMSO-UHFFFAOYSA-N 440.971 5.901 30 10 IKEE CC[C@](C)(NC(=O)[C@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1ccccc1C#N 1866992948 BJARUVJUIVGPSH-REWPJTCUSA-N 446.378 5.528 30 10 IKEE CCCc1nc(Nc2cccc(C#N)c2)cc(N2CCC[C@@H]2Cc2ccc(Cl)cc2)n1 1868377759 ANCDKZGKWMJOOP-JOCHJYFZSA-N 431.971 5.909 30 10 IKEE N#Cc1nnn(Cc2c(Cl)ccc(Cl)c2Cl)c1NC(=O)c1cccc(Cl)c1 1870110882 MQEKFICVUABCJK-UHFFFAOYSA-N 441.105 5.064 30 10 IKEE CCCCCCCCCCn1cc(OCC(C)C)c(=O)cc1CSc1ccccn1 1870260236 GYEZEBNQBUJAFQ-UHFFFAOYSA-N 430.658 6.711 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCCCCCC)cn1CCc1ccc(F)cc1 1870412897 MUPPVXNDEKYZTO-UHFFFAOYSA-N 440.603 5.753 30 10 IKEE CCCCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CN1C[C@H](C)O[C@H](C)C1 1870611894 DRDRLEGAIMCITQ-PSWAGMNNSA-N 446.676 5.943 30 10 IKEE CCCCCCCCCCn1cc(OCCCCC)c(=O)cc1CN1C[C@@H](C)C[C@H](C)C1 1870678738 JRKSESMCNPAAEK-DQEYMECFSA-N 446.720 7.036 30 10 IKEE CCCCCCCOc1cn(C[C@H](C)O)c(CNc2cccc(C(C)(C)C)c2)cc1=O 1870836742 SXWACVKLTUSTSI-FQEVSTJZSA-N 428.617 5.488 30 10 IKEE C=CCn1cc(OCCCOc2ccccc2)c(=O)cc1CNc1ccc(C)c(Cl)c1 1871084920 FCZNTEXGRFTTHF-UHFFFAOYSA-N 438.955 5.456 30 10 IKEE C=CCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(Cl)cc4)cc(=O)c3c2)cc1 1871359274 YHAHCJRDBQIWRC-UHFFFAOYSA-N 431.875 5.931 30 10 IKEE O=C(Cc1ccc(Cl)c(Cl)c1)Oc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O 1871377211 ZVNDXMLKEWLNFB-NHDPSOOVSA-N 425.267 5.758 30 10 IKEE O=C1/C(=C/c2cccc(Cl)c2)Oc2cc(OC(=O)c3cccc4ccccc34)ccc21 1871378058 STMHVOXNHOGQFO-OYKKKHCWSA-N 426.855 6.329 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4cccc(OC(=O)C(C)C)c4)cc(C)c3C2=O)o1 1871391433 WHRKBEDRPLWPPI-UUYOSTAYSA-N 446.455 5.293 30 10 IKEE COC(=O)c1ccc(COc2cc(C)c3c(c2)O/C(=C\c2cn(C)c4ccccc24)C3=O)o1 1871438931 YIMLPPHIDFIFOZ-KSEXSDGBSA-N 443.455 5.062 30 10 IKEE CC(=O)c1ccccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccccc1C)C2=O 1871441434 CPWXMJBJACHVBR-CFRMEGHHSA-N 441.483 5.140 30 10 IKEE CCCCCCCCN=c1nc(N(CC)CCCC)[nH]c(=Nc2ccccc2C(C)C)[nH]1 1871495006 DLMFMCHRMHFNRW-UHFFFAOYSA-N 440.680 5.981 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(C)c(C)c2)[nH]c(N(CCO)CCCC)n1 1871526191 IVJPJPILSUOTFC-UHFFFAOYSA-N 442.652 5.025 30 10 IKEE CCCCCCCCN=c1nc(N2CCc3ccccc3C2)[nH]c(=Nc2cccc(C)c2)[nH]1 1871649939 CYXZOFLXRFQKPC-UHFFFAOYSA-N 444.627 5.103 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cccc(C(C)(C)C)c1)C(C)C)S(=O)(=O)c1cccs1 1872211466 DMMXOHAVVFWRSQ-NRFANRHFSA-N 448.654 5.276 30 10 IKEE CC(C)c1ccc(O[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc1 1872779079 AYXICKQHWIFNNK-KSSFIOAISA-N 426.488 5.855 30 10 IKEE COc1c(Cl)cc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)cc3)n2)cc1Cl 1872785651 RZHRLJSPJLFKHW-ZDUSSCGKSA-N 437.735 6.269 30 10 IKEE CCOc1ccc(-c2nc(C3=C(N)N(c4ccc(C)c(Cl)c4)CC3=O)sc2C)cc1 1873529898 PQQNNDIYXFYKSP-UHFFFAOYSA-N 439.968 5.196 30 10 IKEE CCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc(OC)c(OC)c1 1874231980 KTRWUQWYYHXCDZ-YZSQISJMSA-N 446.576 5.228 30 10 IKEE Cc1cccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCc2cccc(C)c2)c1 1874378269 KOPRUHDRBMIKKY-JVWAILMASA-N 430.552 5.799 30 10 IKEE Fc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2ccccc2F)cc1 1874381070 ZPDWMLHUIGLGPE-WPWMEQJKSA-N 434.515 5.364 30 10 IKEE CCOc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccc(Cl)cc2)cc1 1874440362 WZMSAXQSZBGCQN-MFKUBSTISA-N 443.016 6.093 30 10 IKEE Clc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2[C@@H]2CCCO2)cc1 1874451106 RGWSEOARFMPZRC-KCDOPAPYSA-N 433.364 5.611 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2-c2ccco2)cc1 1874465929 ITAISTMZEKOSRP-YZSQISJMSA-N 446.576 6.200 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccccc1C(=O)O 1874479527 FGEPZQCXCMAJGP-YDZHTSKRSA-N 428.945 5.147 30 10 IKEE CC(C)c1nnc(SCCc2ccccc2)n1/N=C/c1ccc(Br)cc1 1874513769 OUQZVAKRJOENRG-HYARGMPZSA-N 429.387 5.381 30 10 IKEE CC(C)c1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1c(F)cccc1Cl 1874514690 FVQYAGQCJFKIIP-PGGKNCGUSA-N 441.334 6.161 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C)n2/N=C/c2ccc(Cl)cc2Cl)c1C 1874528283 AIZLPWCGICIVLZ-AUEPDCJTSA-N 448.379 5.123 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(S)nnc2-c2ccccc2Cl)cc1OC 1874562191 IBRVWJNYQRQKDF-OEAKJJBVSA-N 430.961 5.347 30 10 IKEE COc1cccc(/C=C/C(=O)c2cccc3ccccc23)c1OCc1cccc2ccccc12 1874583406 LQBSYQYVJDMKMJ-FMQUCBEESA-N 444.530 7.477 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl)c1ccc(F)c(F)c1 1874585145 OHSHQXNBDNMPCN-VMPITWQZSA-N 437.244 6.886 30 10 IKEE Cc1ccc(COc2ccc3ccccc3c2/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1 1874591335 FRAKRRASBIBTOF-WYMLVPIESA-N 447.361 7.930 30 10 IKEE COC(=O)COc1c(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc(Cl)cc1OC 1874591564 RHUCRTDMBQTYOY-ZZXKWVIFSA-N 429.683 5.103 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OCc1ccc(C)cc1 1874601752 BBUOWLHQCLAREB-LDADJPATSA-N 434.535 7.146 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1ccc2ccccc2c1 1874602423 LIEGUNYDQXRZEV-NTUHNPAUSA-N 443.886 6.877 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(OC)c(OCc3cccc(Cl)c3)c(OC)c2)c1 1874605369 NAYFFLUARCXKCB-ZHACJKMWSA-N 438.907 5.841 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccccc3Cl)cc2Cl)cc1 1874608909 NGTIBFFZFNBMNW-XYOKQWHBSA-N 440.326 6.215 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1ccc(C)cc1 1874622382 FEIPQOCSSWVXCK-GZTJUZNOSA-N 428.572 7.166 30 10 IKEE CCCNC(=O)COc1c(Cl)cc(/C=C/C(=O)c2cccc3ccccc23)cc1OC 1874623446 DCQYEFUIBJSGJT-VAWYXSNFSA-N 437.923 5.303 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(F)c1 1874668437 GWNJNLCFGOUFJB-DEOSSOPVSA-N 437.559 5.125 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccccn3)c2)cc1 1874708731 RJJYBSADZLJHIA-QGOAFFKASA-N 443.543 6.546 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OC(=O)CCCOc1ccccc1C 1874710019 OQYJENKSLPSPIP-OQLLNIDSSA-N 448.490 5.803 30 10 IKEE O=C(CCOc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1 1875104589 FACSKYGFACVJLV-MDWZMJQESA-N 441.310 6.264 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)CSc3ccccc3)cc2)cc1 1875106495 BDSGINIIKNSTRF-XMHGGMMESA-N 430.569 6.623 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OCC(C)C)cc3)cc2)cc1C 1875107341 LHBOWCBHQFRIAT-VIZOYTHASA-N 444.527 6.154 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc(OC)c1OC(=O)CC(C)(C)C 1875108905 MBYIWPRFMYDOLN-ZRDIBKRKSA-N 436.548 5.978 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)C2CCCC2)c(Br)c1 1875118774 NNIIOPYMZDUXQQ-ZRDIBKRKSA-N 429.310 5.449 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2OC)cc(OC)c1OC(=O)c1ccc(F)cc1 1875119565 AVYFBLCUELLSMH-XNTDXEJSSA-N 446.474 5.687 30 10 IKEE C[C@@H](Oc1ccc(Cl)cc1)C(=O)Oc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1 1875123415 KPLUMSFGCIMSEU-SNQWNFELSA-N 441.310 6.262 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc(Cl)c2)c(Cl)c1)c1ccc(Cl)cc1 1875126218 VJFWFAGPJWQNRS-ONNFQVAWSA-N 431.702 6.762 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)c1cccc(F)c1 1875141183 RTFJGQINWCLHPW-RMKNXTFCSA-N 442.845 6.051 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)CCc1ccc(OC)cc1 1875158547 AXTMGXJZXHXPRC-GIDUJCDVSA-N 448.490 5.667 30 10 IKEE COc1cccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)cc2)c1 1875168834 WTWBZJFDBPGDSV-SDNWHVSQSA-N 444.527 5.809 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)cc2OC)cc1 1875179133 UZMZERCTGMWIOJ-LFIBNONCSA-N 446.499 5.147 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C)c(OC)cc3C)cc2OC)cc1 1875189814 JDIOMAQPHGXRLC-WUXMJOGZSA-N 446.499 5.445 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccn3)c(Cl)c2)c2ccccc12 1875190196 IQXRCWMGNAYCBT-FMIVXFBMSA-N 443.886 6.012 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC[C@H](CCNC(=O)OC(C)(C)C)C(C)C)NCCC 1922076084 BUFMCYQHTARLJT-RPBOFIJWSA-N 446.676 6.095 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)CCCC1(C)C 1922115498 HXJBQFPJOFHXAI-GJZUVCINSA-N 430.633 5.601 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1926494779 ZCROMVOMAGGSPK-IVZQSRNASA-N 435.952 5.231 30 10 IKEE COc1cc(C)ncc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 1927183539 YDDIIRIPOSFEOH-KRWDZBQOSA-N 432.318 5.168 30 10 IKEE COc1cccc([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)c1Br 1927304459 RIAZWJLSCKGNJV-KRWDZBQOSA-N 437.378 5.982 30 10 IKEE CCC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1C 1945774341 SZQWGUXYXPQFPU-UYAOXDASSA-N 431.577 5.570 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)C1=CCC=CC1 1949760147 YCEQKDCFQSDSTR-BJKOFHAPSA-N 426.601 5.297 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(C(=O)OC(C)(C)C)CC2(C)C)c1 1996504103 HVWGLXAOUUZMFA-XMMPIXPASA-N 429.561 5.276 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2000550140 YIDNIDXABIBCEO-PXBRLVMASA-N 427.545 5.014 30 10 IKEE C=CC1(C[C@H](C[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)NCCC)CCC1 2002635280 XMBJOLJNSQFZRF-XZOQPEGZSA-N 430.633 5.601 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@]1(C#N)C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21 2016127682 IRLAGTGWLGGESW-SJHHWCTQSA-N 438.593 5.763 30 10 IKEE C#CC[C@@H](C[C@H](CCCN(Cc1ccccc1)C(=O)OC(C)(C)C)NCCC)C1CC1 2020092538 KBDKTEGOLFLAEM-DQEYMECFSA-N 426.645 6.012 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C)([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 2022136323 TWJLMECEDSZGSN-MBSDFSHPSA-N 433.524 5.106 30 10 IKEE C[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)[C@H](C)CN1C(=O)OC(C)(C)C 2032000381 OEHNEPGQMQSDOA-MPCDZSKCSA-N 449.636 5.874 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)CC12CCCCC2 2037750515 ZJKHSSZHMIFBGT-VWLOTQADSA-N 447.620 5.772 30 10 IKEE Cc1ccc([C@@H](n2nc(C3(C)CC3)c(C#N)c2I)C(C)(C)C)c(C)c1 2079049793 MPFWEBMMXBDAQR-GOSISDBHSA-N 447.364 5.663 30 10 IKEE CC(C)c1ccc([C@H](n2nc(C(F)(F)F)c(C#N)c2Br)C2(C)CC2)cc1 2079980755 IXKBGYWKLDZONF-INIZCTEOSA-N 426.280 6.049 30 10 IKEE CC[C@H](c1c(C)cc(C)cc1C)n1nc(C2(C)CC2)c(C#N)c1I 2080037173 LWAWXKKFPNNXQI-MRXNPFEDSA-N 433.337 5.336 30 10 IKEE Fc1cccc(C(F)(F)F)c1-c1c(C(F)(F)F)nn2c(Cl)c3c(nc12)CSC3 2081523497 IYBBBCLMKNFSIX-UHFFFAOYSA-N 441.759 5.973 30 10 IKEE C=CCCCCCCC(=O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2085847511 QAWQMUAYWIHNHT-UHFFFAOYSA-N 428.572 7.554 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCN[C@H](C2CCC2)C1 2194158680 NHAALHUIGPSALY-RXVVDRJESA-N 434.378 5.005 30 10 IKEE CCCCCCCC[C@@H](CO)N(CC1CC1)C(=O)OCC1c2ccccc2-c2ccccc21 2211084800 RXGUFWSSADHMCT-QHCPKHFHSA-N 449.635 6.759 30 10 IKEE C=C(C)C[C@H](NCCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229109082 FKIBBFOVTRLCPW-OALUTQOASA-N 425.411 5.219 30 10 IKEE CCC[C@]1(C(=O)C#Cc2ccccc2Br)CCCCN1C(=O)OC(C)(C)C 2235717887 BWJCYWZKDQMOLN-JOCHJYFZSA-N 434.374 5.330 30 10 IKEE CCCCCCCC[C@H](C)Nc1ccc(Cl)c(I)c1Cl 2240666253 LFBADQUYLRCAAN-LBPRGKRZSA-N 428.185 7.149 30 10 IKEE C=CCCC1(C(=O)c2ccc(Cl)cc2Br)CN(C(=O)OC(C)(C)C)C1 2254961497 JREUTPVAWNBKCP-UHFFFAOYSA-N 428.754 5.489 30 10 IKEE C=CCCC1([C@@H](NC)c2cc(Br)ccc2F)CN(C(=O)OC(C)(C)C)C1 2266298447 JWGBYVHFHRPIAA-KRWDZBQOSA-N 427.358 5.052 30 10 IKEE C=CC[C@]1(COc2ncnc(Cl)c2Br)CCCCN1C(=O)OC(C)(C)C 2272127835 DOPKXWKJYLTYEZ-GOSISDBHSA-N 446.773 5.007 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1cc(Br)cc(C(C)(C)C)c1 2288663997 RLQSVCZEWIXDFT-OALUTQOASA-N 437.422 5.314 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(CCC(=O)C#Cc2cccc(Br)c2)cc1 2296222688 UXKGCRAVHBOCQF-UHFFFAOYSA-N 428.326 5.350 30 10 IKEE CC(C)(C)OC(=O)N[C@](C)(C1CCCCC1)[C@H](O)C#Cc1cccc(Br)c1 2296223779 CXRYRROXVBZUSB-DENIHFKCSA-N 436.390 5.025 30 10 IKEE CN(C)c1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 2296285355 YDXOPOBKOOSCBJ-QFIPXVFZSA-N 432.907 5.032 30 10 IKEE COc1ccc(C(=O)C=Cc2cccs2)c(OC(=O)c2ccccc2Br)c1 2296761500 VASFOVJRNSHEME-UHFFFAOYSA-N 443.318 5.635 30 10 IKEE Cc1c(Cl)cccc1NC=C1C(=O)c2ccccc2N(Cc2ccccc2)S1(=O)=O 2296989369 VJCKBXYFXHEXNL-UHFFFAOYSA-N 438.936 5.135 30 10 IKEE Fc1ccc(N2C(=S)C3(CCCCC3)[C@@H](N3CCCCC3)C2=NC2CCCCC2)cc1 2297382634 VVWRIFLZGXTUFT-QHCPKHFHSA-N 441.660 6.509 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)C=Cc3ccccc3)c(OC)c2)c1 2314429683 MDPGCHAZVFWNBH-UHFFFAOYSA-N 444.483 5.227 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(C)n2N=Cc2ccc(C(C)(C)C)cc2)cc1 2321106683 WXTHNZCTYRFDTH-UHFFFAOYSA-N 435.597 5.059 30 10 IKEE C=Cc1ccc(COc2cc(C)c3c(c2)OC(=Cc2ccc(OC)cc2OC)C3=O)cc1 2321869579 MCXOMXHQJBKYNK-UHFFFAOYSA-N 428.484 5.850 30 10 IKEE CCCOc1ccc(C=Nn2c(S)nnc2CCc2ccc(C)c(C)c2)cc1OCC 2322044842 QWEZXIHRKAXPIO-UHFFFAOYSA-N 438.597 5.039 30 10 IKEE CCCCCCCCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(C)cc1)C3=O 2322132219 CPPVPIDKXZCTFY-UHFFFAOYSA-N 447.619 7.212 30 10 IKEE CC(C)COC(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccc2ccccc2c1 2322318063 CIUVJVPFMCLHJP-UHFFFAOYSA-N 438.523 6.467 30 10 IKEE CCCCC[C@@H](CC)N1COc2c(cc3c(c2C)OC(=Cc2ccc(OC)cc2)C3=O)C1 2322356728 ILUNZDNYTBBWRU-OAQYLSRUSA-N 435.564 6.131 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(C(C)(C)C)cc1)C3=O)CN([C@H]1CCCC[C@H]1C)CO2 2322391841 VMXHXVSVYWLXHI-KOSHJBKYSA-N 445.603 6.639 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Br)ccc1OCc1ccccc1F 2322475481 XWQPZYOXNVHUPT-UHFFFAOYSA-N 441.296 6.072 30 10 IKEE CCOc1ccc(C=NNc2cnn(-c3ccc(Cl)c(Cl)c3)c(=O)c2Cl)cc1 2322617461 NNBPINZPIACNCS-UHFFFAOYSA-N 437.714 5.037 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OC)c1OCc1cccc2ccccc12 2322649175 KQVQAXMDMMPUQK-UHFFFAOYSA-N 438.523 6.641 30 10 IKEE Cc1ccccc1COc1ccc(Br)cc1C=CC(=O)c1ccc(F)cc1 2322747940 LQGGNKTZBACRIK-UHFFFAOYSA-N 425.297 6.372 30 10 IKEE COc1cc(C(=O)C=Cc2ccccc2OCc2ccc(F)cc2)c(OC)cc1Cl 2322867232 VKXPVVXYSHYEQO-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE Cc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2c(Cl)cccc2Cl)C3=O)c1 2322884126 DZHRXYKDONDBNK-UHFFFAOYSA-N 439.294 6.446 30 10 IKEE COc1ccc(NN=Cc2cc(OC)c(OCc3ccccc3)c(OC)c2)cc1Cl 2322924893 PMTRWNBIZZDNJS-UHFFFAOYSA-N 426.900 5.391 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccc(C)c(C)c2)c(C)c1 2322945281 MJTSPNTWUAPWRU-UHFFFAOYSA-N 427.544 6.142 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccccc2C)cc1Cl 2322974813 GGQROORPWZGHMH-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE CCOc1ccc(CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C)cc2)C3=O)cc1 2323370900 FJIKBFNKZKGOLF-UHFFFAOYSA-N 428.484 5.466 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(F)c2)C3=O)cc1 2323371288 XPHKQWZGTUVQFU-UHFFFAOYSA-N 432.447 5.297 30 10 IKEE Cc1c(OC(=O)c2cccc3ccccc23)ccc2c1OC(=Cc1ccc(C(C)C)cc1)C2=O 2323481632 JPTPRDXKMSPICK-UHFFFAOYSA-N 448.518 7.107 30 10 IKEE CCOc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccc(OC)cc2)C3=O)cc1 2323511068 OCUBAVGEOHLILZ-UHFFFAOYSA-N 442.467 5.329 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OCC(=O)NC2CCCCC2)cc1 2324220014 AMYLTGOGPLGGHM-UHFFFAOYSA-N 449.591 5.717 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)c(C)c1C 2324295014 KYWBSBBRTKBSPH-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE COc1cccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4)cc(C)c3C2=O)c1 2324404230 KBICJWBTFPZVCY-KRWDZBQOSA-N 429.472 5.026 30 10 IKEE Cc1ccsc1C=C1Oc2cc(O[C@@H](C)C(=O)Nc3cccc(C)c3C)cc(C)c2C1=O 2324505859 YIUFEVTYXFIISV-SFHVURJKSA-N 447.556 6.004 30 10 IKEE CCCOC(=O)[C@H](CC)Oc1cc(C)c2c(c1)OC(=Cc1c(Cl)cccc1Cl)C2=O 2325092457 UIHFYROZNUNMFW-SFHVURJKSA-N 449.330 6.029 30 10 IKEE Oc1cccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccccc2Cl)c1 2325449149 FPVPWMHSKQISBM-UHFFFAOYSA-N 448.979 5.597 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1ccccc1Cl)C2=O)Nc1ccc(F)c(F)c1 2325514121 JAUNRIZYUSPFEY-UHFFFAOYSA-N 441.817 5.252 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(OCC)cc1 2325525931 YSMGTMKQCODJOH-UHFFFAOYSA-N 428.989 5.847 30 10 IKEE COc1cccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2Cl)C3=O)c1 2325576336 DXWLVQJZLHKMTL-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2)cc1 2325734888 IKFNKHWRTLYDQB-UHFFFAOYSA-N 431.444 5.417 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)cc1 2325735025 RRNVNIIPQCHVLY-UHFFFAOYSA-N 431.444 5.417 30 10 IKEE CCOc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(Cl)c(Cl)c3)c2)cc1 2325737104 MXSDETNBEXHVAU-UHFFFAOYSA-N 441.310 6.507 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 2325739447 PBKBIKDGHCEJJN-UHFFFAOYSA-N 442.555 6.888 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccccc3[N+](=O)[O-])c2)cc1 2325739612 HKQMOWORKCAUSH-UHFFFAOYSA-N 431.444 5.499 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C=CC(=O)c3ccc(F)c(F)c3)ccc2OC)cc1 2325753000 RWCPMYBQWOIXQO-UHFFFAOYSA-N 438.426 5.487 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2cccc(OC(=O)c3cncc(C)c3)c2)cc1Cl 2325767032 ZTCRLEMTINTSGS-UHFFFAOYSA-N 442.298 5.821 30 10 IKEE CCc1ccc(C(=O)Oc2cc(C=CC(=O)c3cc(C)c(OC)cc3C)ccc2OC)cc1 2325770696 FXKMIQDIVHUUDU-UHFFFAOYSA-N 444.527 5.998 30 10 IKEE CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccccc1[N+](=O)[O-] 2326118072 KZYZIKWJYOTNEB-UHFFFAOYSA-N 445.932 5.030 30 10 IKEE CCc1nnc(SCc2ccc(C)cc2)n1N=Cc1cc(Cl)c(O)c(Cl)c1O 2326296327 CXOKJSRGSJFIPU-UHFFFAOYSA-N 437.352 5.041 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccccc1C(F)(F)F 2326546646 NGWAGBHVMSMGFT-UHFFFAOYSA-N 438.906 6.077 30 10 IKEE Cc1nnc(SCc2cccc3ccccc23)n1N=Cc1cccc(OCC(C)C)c1 2326637368 YJSHGHUWGOCNDI-UHFFFAOYSA-N 430.577 5.949 30 10 IKEE CCCc1ccc(OCc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccc[nH]2)cc1 2327335160 QJHULANYPVKPMI-UHFFFAOYSA-N 449.555 5.451 30 10 IKEE CCCSc1nnc(COc2ccccc2Cl)n1N=Cc1ccccc1OC(C)C 2327675830 MGNLMELXNZNTIC-UHFFFAOYSA-N 444.988 5.682 30 10 IKEE CCCSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc(C(C)(C)C)cc1 2327980165 MERUOAKWDUMFAS-UHFFFAOYSA-N 441.044 6.399 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3C)n2N=Cc2ccncc2)cc1C 2328774309 CUGYZUIQFIZFGT-UHFFFAOYSA-N 443.576 5.352 30 10 IKEE COC(=O)c1ccc(C=Nn2c(SCc3ccccc3F)nnc2-c2ccccc2)cc1 2330673102 ZISDIMPBINQCLV-UHFFFAOYSA-N 446.507 5.045 30 10 IKEE Cc1ccccc1CSc1nnc(CC(C)(C)C)n1N=Cc1ccccc1OC(C)C 2330808856 ZFRGQJAXKVXAED-UHFFFAOYSA-N 436.625 6.137 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2c(F)cccc2Cl)nnc1C1CCCC1 2331103587 ADQBPNNJYWYTSE-UHFFFAOYSA-N 428.964 6.211 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)c1cccc(C)c1 2331115788 FTGSODVYHDBLSD-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE FC(F)(F)c1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1cccs1 2331145005 GECQOGMEHUJNDX-UHFFFAOYSA-N 437.299 5.840 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(C)c3)cc2OC)cc1 2331350802 UQSOAPAPCFJKKX-UHFFFAOYSA-N 448.490 5.586 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)COc2cc(F)ccc2F)cc1 2331352097 CVDIRYJDSRJAGK-UHFFFAOYSA-N 438.426 5.162 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1OC 2331411156 UVOJKUFGEFKOGK-UHFFFAOYSA-N 444.527 6.117 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccc(C)c(C)c3)cc2)cc1F 2331451114 OMXYYDRGGSDVIN-UHFFFAOYSA-N 434.463 5.332 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cccc4ccccc34)cc2Cl)cc1 2331472399 PNKABIIPBVEXFS-UHFFFAOYSA-N 442.898 6.617 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3ccccc3)cc2)cc1 2331490124 UOWLORGCZSUHJU-UHFFFAOYSA-N 428.528 6.471 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)Cc1ccccc1OC 2331534436 HMOKSWPSDILRRJ-UHFFFAOYSA-N 434.463 5.277 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 2331540176 VAJYKCNZCMSYCY-UHFFFAOYSA-N 432.491 6.247 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2ccc(C(C)(C)C)cc2)cc1 2331687087 FIUFQXXIDCFOCZ-UHFFFAOYSA-N 449.624 5.620 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1 2331788286 SCWKRVNBLDMYJQ-UHFFFAOYSA-N 443.499 6.316 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)CC(C)(C)C)c([N+](=O)[O-])c1 2331877069 USNDFLFWGAKIGH-UHFFFAOYSA-N 431.872 5.495 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(C)c3)cc2)c(OC)c1OC 2331885351 PLKVZMNBSHQECU-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE CC1(C)OB(/C=C/c2ccc(NC[C@H]3CCCN(Cc4ccccc4)C3)nc2)OC1(C)C 2339534896 JGKOVIUDWRYYRV-WOOPDLCSSA-N 433.405 5.050 30 10 IKEE CCCN[C@@H](C#Cc1cccs1)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2363547584 GPOHBCOPBIRDJQ-SFHVURJKSA-N 449.414 5.950 30 10 IKEE Cc1cc(COc2ccc(Br)c(Cl)c2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369695515 IFRZKQFYPDKPQA-UHFFFAOYSA-N 437.570 5.289 30 10 IKEE C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CCSc1nnc(-c2ccc(OC)cc2)o1 2150318 YRGLKFYABDJLHS-DNRQZRRGSA-N 426.626 7.026 30 10 IKEE CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(CC(C)(C)CC2=O)N1 3100780 BLERJTVSKPHGNG-JOCHJYFZSA-N 438.524 5.075 30 10 IKEE C=C(C)COc1ccc(NC(=S)NC(=O)c2ccccc2OCCc2ccccc2)cc1 10510483 FFHDFCOWUYCBOU-UHFFFAOYSA-N 446.572 5.390 30 10 IKEE Cc1ccc(C)c(C(=O)C[C@H]2S/C(=N\c3ccc(O)cc3)N(c3ccc(O)cc3)C2=O)c1 15054998 PGDFQSNXABNCKC-KFLFGZTGSA-N 446.528 5.124 30 10 IKEE CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3s1)=N[C@H]2c1cc(F)cc(F)c1 17102210 WOXONVGFZBWABR-FQEVSTJZSA-N 438.503 5.330 30 10 IKEE COc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](C)C3)[C@H]2c2ccccc2)cc1 17102307 PBICLIAEHRNSOA-XRHLQHRESA-N 438.527 5.762 30 10 IKEE COc1ccc(C(=O)[C@H]2[C@H](c3ccsc3)C(C#N)(C#N)[C@@H]3c4ccccc4C=CN32)cc1 19816116 APCLDDMGYLAZJK-ARNLJNQMSA-N 437.524 5.167 30 10 IKEE N#Cc1c(NC(=O)CSc2ncnc3sc4c(c23)CCCC4)sc2c1CCCC2 20449304 OTKZRIXAPJXBAX-UHFFFAOYSA-N 440.619 5.113 30 10 IKEE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(F)cc1)C/C2=N\OC(=O)c1ccccc1Cl 33960669 NVCOCIHUKGRXFH-VNLZXBPESA-N 442.918 5.847 30 10 IKEE COc1ccccc1/C=C/C(=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 34954745 ZYHRPUKANFPDRQ-XNTDXEJSSA-N 437.289 5.573 30 10 IKEE C=CCC[C@@H](O)CN(CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1 36302902 UABWIEOZAYPQEW-HSZRJFAPSA-N 449.595 5.003 30 10 IKEE CCc1ccc(/C=C2\S/C(=N/c3ccncc3Cl)N(C3CCCCC3)C2=O)cc1 39864639 XJOHZVKHPRMAJW-USXILQPXSA-N 425.985 6.234 30 10 IKEE COc1cccc(/C=C2\S/C(=N/c3nccs3)N(C3CCCCC3)C2=O)c1OC 39865053 VXWRNWUHEPXQBE-GLJSPWRRSA-N 429.567 5.097 30 10 IKEE C=CCc1ccccc1OCCn1c(CCNC(=O)c2ccc(C)cc2)nc2ccccc21 40200133 HLSRGJBDRYPQNJ-UHFFFAOYSA-N 439.559 5.125 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(C)c2)C3=O)c1 41292735 DAROASRCHSCVDQ-KSEXSDGBSA-N 430.456 5.156 30 10 IKEE N#Cc1cccc(NC(=O)Nc2cccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)c2)c1 45323238 FSQBPJCNLGEJCO-UHFFFAOYSA-N 429.483 6.413 30 10 IKEE O=C1/C(=N/Nc2cc(Cl)ccc2Cl)c2ccccc2N1Cc1ccccc1Cl 59165659 ALMWDSZNOHEHRR-LHLOQNFPSA-N 430.722 6.010 30 10 IKEE Cc1c(C(=O)Nc2ccccc2)sc2nc(C(C)C)n(Cc3cccc(C#N)c3)c(=O)c12 96526091 LQBPLUOOFUXEIV-UHFFFAOYSA-N 442.544 5.062 30 10 IKEE CCN1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])S/C1=N/c1nc(-c2ccccc2)cs1 101130361 RRAHPTCEJBGAAK-LMCHCYRTSA-N 436.518 5.342 30 10 IKEE COc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N\c1ccc(Oc2ccccc2)cc1 101764691 HUYXGJWAGCRFOS-AHWXRYGESA-N 426.516 6.241 30 10 IKEE Cc1ccc2nc(N3C(=O)C(=O)/C(=C(\O)c4cccs4)[C@@H]3c3ccccc3)sc2c1 102527636 YLYSEOKMGHQHQR-HQMFNGAOSA-N 432.526 5.293 30 10 IKEE CCCCCCCC(=O)Nc1cccc([C@H]2NC(=O)N(CCCC)C(C)=C2C(=O)OC)c1 102993697 ZPFRNWYPIJAYMS-HSZRJFAPSA-N 443.588 5.299 30 10 IKEE O=C1/C(=C\c2cccn2-c2ccccc2)S/C(=N/c2ccccc2)N1Cc1ccccc1 103793259 MHDNRHSNOVFZEB-LOQZQNIZSA-N 435.552 6.282 30 10 IKEE Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 136568662 INYJBGCDNSWFGT-IUKMQXEJSA-N 439.555 5.914 30 10 IKEE COc1ccc(/C=N\Nc2nc(-c3cccs3)c(C)s2)cc1OCc1ccc(C)cc1 169939982 HAXBELAYBIJEJA-QFEZKATASA-N 449.601 6.522 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2OC)cc1C 169944891 HZNZMFPVBPOTRU-XMMPIXPASA-N 443.499 5.104 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccc(N(C)C)cc2)c1 169952920 CKXAKWMUYCGLDR-RUZDIDTESA-N 440.543 5.461 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1cccs1 169982418 JWMOZZIRQMHASX-JOCHJYFZSA-N 444.512 5.017 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@@H]1c1ccccn1)c1ccc(Cl)cc1 169993189 ZAQVCVKJKPJYHS-LJQANCHMSA-N 443.261 5.310 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1ccc(OC)cc1 170116745 MXYKEZPUQIDKKT-DEOSSOPVSA-N 449.591 6.070 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccccn2)c1 170172305 ZYJHYOJIRQFZQK-DEOSSOPVSA-N 442.515 5.270 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccc2)cc1C 170222840 DBCOJUSUFMEUIN-HSZRJFAPSA-N 431.463 5.316 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccccc2)c(C)c1 170223642 GWVNLOVUVNFOKX-XMMPIXPASA-N 427.500 5.403 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(F)cc2)cc1 170237395 RMSQJZVUCVXHHH-OAQYLSRUSA-N 437.492 5.064 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(F)cc2)c(C)c1 170238137 HSJPNGNXJKRPQJ-QFIPXVFZSA-N 435.426 5.065 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@H]1c1ccc(C(C)C)cc1 170245402 PHDOIDVCLCCADN-RUZDIDTESA-N 449.591 6.320 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2sccc2C)c1 170314271 VBDHOLOPKZIDPR-QHCPKHFHSA-N 439.536 6.301 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1sccc1C 170315488 MAJIZBDLSAQYLC-LJQANCHMSA-N 434.473 5.056 30 10 IKEE C=CCOc1cccc([C@@H]2C(C(=O)c3cccc(OCC(C)C)c3)=C(O)C(=O)N2CCC)c1 170324278 OSVOKKOKKZNEEP-XMMPIXPASA-N 449.547 5.275 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)[C@H]1c1ccccc1F)c1ccncc1 170382449 MFJRWXSEUFEGSD-IBGZPJMESA-N 442.368 5.022 30 10 IKEE Cc1ccc(Cl)cc1Nc1snc(SCC(=O)c2ccc([N+](=O)[O-])cc2)c1C#N 247873790 MXLGUMAUQYDBQC-UHFFFAOYSA-N 444.925 5.603 30 10 IKEE CCCN1C(=O)/C(=C2\C=Cc3ccccc3N2CC)SC1=Nc1cccc([N+](=O)[O-])c1 252637279 XRDVLDXPUDTUDX-RTPXDPCMSA-N 434.521 5.333 30 10 IKEE Cc1cccc(OCCn2cc(C=NNC(=S)NCc3ccccc3)c3ccccc32)c1 254293565 VOEQSOJKNXJFMI-UHFFFAOYSA-N 442.588 5.027 30 10 IKEE CCOC(=O)c1ccc(N2Cc3ccccc3C2=NC(=O)Nc2cccc(Cl)c2)cc1 254873832 SEJMMIXXQRFJRX-UHFFFAOYSA-N 433.895 5.516 30 10 IKEE COc1cccc(CN2Cc3cc4cc(C)ccc4nc3SC2=Nc2ccccc2)c1 254877720 FXVLJASZJBXDAB-UHFFFAOYSA-N 425.557 6.347 30 10 IKEE COc1ccc(N2Cc3ccccc3C2=NC(=O)c2cccc(C(F)(F)F)c2)cc1OC 254898402 QJAGHBOYBSOUKL-UHFFFAOYSA-N 440.421 5.330 30 10 IKEE C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CC=C(c5ccc(Cl)cc5)CC4)[C@H]3C[C@@H]12 504765707 IUHODRMRSHJGHQ-WFMHDFSVSA-N 426.000 5.743 30 10 IKEE biogenic CCCCCOc1ccc(/C=N\n2c(C)nnc2SCc2ccc(C)cc2)cc1OC 526804257 KOFZWXKUEARBKK-XYGWBWBKSA-N 438.597 5.647 30 10 IKEE CCOc1ccc(/C=N\n2c(C)nnc2SCc2ccc(C(C)(C)C)cc2)cc1Cl 526805617 MGVRALVKTXHIBC-QFEZKATASA-N 443.016 6.111 30 10 IKEE CCOc1ccccc1/C=N\n1c(CC)nnc1SCc1c(Cl)cccc1Cl 526815367 RSVIAZFCXNCKJH-FMCGGJTJSA-N 435.380 5.721 30 10 IKEE CCOc1cc(/C=N\n2c(C)nnc2SCc2ccccc2Cl)cc(Cl)c1O 526816999 SJALULHYIMMHAP-YVNNLAQVSA-N 437.352 5.172 30 10 IKEE N#Cc1ccc(COCC2CCN(C(=O)C3(c4ccc(Cl)cc4)CCCC3)CC2)cc1 585222146 OJWJZEZAGYYXAX-UHFFFAOYSA-N 436.983 5.479 30 10 IKEE CCCCc1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(C)c(C)c2)cc1 586212332 GZHKMFZXFQZRJY-UHFFFAOYSA-N 432.589 5.913 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2ccccc2C)cc1 586233891 RELOSGGLKGEIJV-UHFFFAOYSA-N 446.616 6.385 30 10 IKEE C=CCN(CC=C)C(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 586662709 CKQRXWLBZJBEPU-UHFFFAOYSA-N 437.849 5.817 30 10 IKEE C=C(CC)C[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCC 686827956 WCSWLBYFAPLEAN-HSZRJFAPSA-N 429.649 5.270 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(/C=C\C(=O)c2c(F)cc(Br)cc2F)cc1 689275478 SRYVFRZVXCFBDU-TWGQIWQCSA-N 438.268 5.970 30 10 IKEE Cc1cc(C)c([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)c(C)c1 698481714 JDIOTZRKQTUQRU-IBGZPJMESA-N 429.358 6.381 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)C2(C#N)CCC(NC(=O)OC(C)(C)C)CC2)cc1 724077189 CBGVUKDRNJHOPW-UHFFFAOYSA-N 429.561 5.466 30 10 IKEE C#Cc1ccc2c(c1)[C@H]1c3cccc(Br)c3[C@H]2c2cccc(Br)c21 1082505367 SOASYCQBSIHVNC-WOJBJXKFSA-N 436.146 6.180 30 10 IKEE O=C(O)c1cccc(N=Cc2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1 1084329677 NKEAQRPIRPOQGN-UHFFFAOYSA-N 436.714 6.296 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)CCSc2n[nH]c(NN=Cc3ccc(C)cc3)n2)cc1 1084393570 XKVHKRPMFWYVHV-QGZVFWFLSA-N 436.585 5.194 30 10 IKEE O=C1C(=NN(c2ccccc2)c2ccccc2)c2ccccc2N1Cc1ccccc1Cl 1084523281 GWVOXLDDBKYLDB-UHFFFAOYSA-N 437.930 6.429 30 10 IKEE CN1C(=O)C[C@H](C(=O)Nc2ccc(Cl)cc2)SC1=Nc1cc(Cl)cc(Cl)c1 1084644437 HVMQVKSXWFNABH-OAHLLOKOSA-N 442.755 5.237 30 10 IKEE O=C1NC(=NN=Cc2ccc(-c3ccccc3)o2)S[C@@H]1Cc1cccc(C(F)(F)F)c1 1772742367 OKUUVPSOGQMYAW-LJQANCHMSA-N 443.450 5.130 30 10 IKEE COc1ccc(-n2nc(C(=O)Nc3ccccc3C#N)cc2-c2cccc3ccccc23)cc1 1859390609 CBBVYVPNAIFQHM-UHFFFAOYSA-N 444.494 5.825 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)c1cc2ccccc2n1C 1861393407 TUHJUEGIKNJMCP-QFIPXVFZSA-N 427.633 5.724 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C(C)C)c1 1862386223 INUZWUHZASGTDP-HXUWFJFHSA-N 448.346 5.769 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc(CC)cc2)cc1 1862390438 CYYPTBDURSFPJH-RUZDIDTESA-N 433.592 6.216 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc(Cl)c2)cc1C 1862403183 PORRGWHTIPZVNG-QFIPXVFZSA-N 439.939 5.568 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@H]2c2ccc(C)cc2)cc1 1862412764 NBMHRFIWRUZMME-HSZRJFAPSA-N 433.454 5.360 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCC)cc1 1862422069 WAGJALHTZQXUJK-OAQYLSRUSA-N 429.463 5.132 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@@H]1c1ccc(F)cc1)c1cccc(Cl)c1 1862443087 MZQCFYPXXRGINN-OAQYLSRUSA-N 439.845 5.397 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862453227 UWXRUAISWMGBTF-SFHVURJKSA-N 449.290 5.280 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1Br 1862453271 VZLYBHJWDLTQRF-XIKOKIGWSA-N 448.744 5.479 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccccc2)cc1 1862487068 RRGZKWQJMNQROG-FNZWTVRRSA-N 439.555 6.205 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccccc2Br)cc1 1862488446 ZXBYFTIRLDCMKH-FQEVSTJZSA-N 442.353 5.382 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cccc(OCC)c1 1862506688 UFDAZTULIMWAKN-HSZRJFAPSA-N 439.527 5.691 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C34CC5CC(CC(C5)C3)C4)[C@H]2c2ccccc2)ccc1F 1862507500 MTIXMNNCJUXNEF-GETQMSEISA-N 445.534 5.681 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862508312 HFTRUBLUUYSKBL-IBGZPJMESA-N 436.310 5.819 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(N(CC)CC)cc1 1862510145 XRKAXQVBTMMXTE-QHCPKHFHSA-N 438.543 5.359 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccc(CC)cc3)[C@H]2c2ccccc2)cc1 1862531827 CSDRIVGMRMQIKL-BCHFMIIMSA-N 439.555 6.151 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1cccc2ccccc12 1862592744 JKKJUAAQWSRPSX-DEOSSOPVSA-N 429.516 5.704 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C2CCCCCC2)c1 1862596101 FYKLVYPBXIGORS-QHCPKHFHSA-N 435.520 5.092 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CC(C)C)c1 1862623749 WOLNWXZTTDMKIW-XMMPIXPASA-N 449.591 6.007 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)OCO3)=C(O)C(=O)N1[C@H](C)c1ccccc1 1862625793 NTKBYBDXQXSSQM-MZNJEOGPSA-N 441.483 5.063 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C(C)C)c1 1862655409 HVPBGQFLVMQWRA-XMMPIXPASA-N 429.516 5.615 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862660208 GVKGAVCFTNNIOY-ILBGXUMGSA-N 447.575 5.691 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccc(C)c1 1862660341 KTRKMANTOWYSOZ-SANMLTNESA-N 447.619 7.057 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(C)cc1 1862661556 VMNMZPVQRFGDFN-RUZDIDTESA-N 449.591 5.904 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCCCCCCC)cc2)[C@@H]1c1cccc(O)c1 1862733367 RTKBTGWQBAUZFX-DEOSSOPVSA-N 449.547 5.506 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1Cl 1862750742 CTNKYQOFXQTYQY-FQEVSTJZSA-N 442.899 5.407 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(F)c(Cl)c3)C2=O)c1 1863023156 KBMLMQWQEOSNAF-UHFFFAOYSA-N 445.881 5.364 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(F)c(C)c2)C1=O 1863469813 ZXAUJZSWOWBMLF-UHFFFAOYSA-N 433.527 5.558 30 10 IKEE CCCCCCCCCCNC1=C(c2cc(C)ccc2C)C(=O)N(CCCOC)C1=O 1863735248 FELODNXGTPOYDN-UHFFFAOYSA-N 428.617 5.150 30 10 IKEE CCC[C@@H](NC(=O)[C@@H](c1ccc(Cl)cc1)C1CCCC1)C(=O)Nc1cccc(C#N)c1 1867005501 LYXBEFCSRYSIGN-DHIUTWEWSA-N 437.971 5.409 30 10 IKEE C=CCN(CC=C)c1cc(N(C)CCc2cnc[nH]2)nc(-c2ccc(C(C)(C)C)cc2)n1 1869352214 RDDQISOPODVQQN-UHFFFAOYSA-N 430.600 5.022 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)c(Cl)c2)c(=O)cc1CNc1cc(C)cc(C)c1 1870825751 GPNCHYXSDARWBM-UHFFFAOYSA-N 443.374 6.149 30 10 IKEE C#CCOc1cn(CCCCCCCCCC)c(CNc2ccc(Cl)c(C)c2)cc1=O 1871006055 MZXPTLMTJRAFMZ-UHFFFAOYSA-N 443.031 6.575 30 10 IKEE CCCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1cn(C)c2ccc(OC)cc12)C3=O 1871347058 VLQXPGYEWVEIKW-MSXFZWOLSA-N 446.547 5.454 30 10 IKEE CCCCC[C@H](CC)N1COc2ccc3c(c2C1)O/C(=C\c1ccc(C(=O)OC)cc1)C3=O 1871347725 SFUZMSVQTYROBV-ORQKMDSUSA-N 449.547 5.600 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc4c3CN(C3CCCCCCC3)CO4)C2=O)c(OC)c1 1871349367 QHFUIYWCQDFOIJ-QFEZKATASA-N 449.547 5.585 30 10 IKEE CC[C@H](C)N1COc2cc(C)c3c(c2C1)O/C(=C\c1ccccc1Br)C3=O 1871351851 DGFQPVBJJFGPNO-VAODSVERSA-N 428.326 5.324 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccco1)C3=O)CN([C@H](C)C13CC4CC(CC(C4)C1)C3)CO2 1871360268 ZQJHVGGJNRJNKN-BEIIYBKYSA-N 445.559 5.961 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O)c1ccc([N+](=O)[O-])cc1Cl 1871373188 LVZFCKIMQPBBBI-UKWGHVSLSA-N 439.782 5.223 30 10 IKEE CCCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccn2)C3=O)cc1 1871378259 CRUJEBKARYRNJD-PJUFCWOPSA-N 441.483 5.414 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc3C2=O)o1 1871378416 MAMIAASJOJNFOG-JKYQMCTKSA-N 441.266 6.130 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)cc(C)c3C2=O)c1 1871383686 QUIVXRZWUIBOBY-QFEZKATASA-N 442.511 6.174 30 10 IKEE C=CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)c1 1871388606 FMGDLINHHSIUEI-OYKKKHCWSA-N 426.468 5.704 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3cc(OCCCOc4ccccc4)cc(C)c3C2=O)c1 1871396997 DFODLWZWHDCFLS-XYGWBWBKSA-N 446.499 5.476 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2sccc2C)C3=O)cc1 1871409095 XCHOQKUSFQFKBR-WBRURWICSA-N 433.529 5.696 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(CCCC)cc1)C(C)C)S(=O)(=O)c1ccccc1 1871818872 WPNPIEMRZMRENF-DEOSSOPVSA-N 442.625 5.259 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1ccc(C)cc1 1872078149 HYVNBJOCUNDSJE-XMMPIXPASA-N 442.625 5.178 30 10 IKEE C=CCN([C@H](CC(C)C)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1 1872430420 NOYFZEYTIXSYKK-JOCHJYFZSA-N 449.016 5.187 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccccc1CC)c1ccccc1)S(=O)(=O)c1ccccc1 1872479775 UAUIUKXEONJTPU-VWLOTQADSA-N 448.588 5.196 30 10 IKEE N#C[C@@H](C(=O)c1cc2ccccc2oc1=O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872768796 CIROYSGENNPAQT-AWEZNQCLSA-N 441.295 5.713 30 10 IKEE COc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3cc(C)ccc3OC)cs2)cc1 1872771524 WMOAYTBYBLDIHC-HXUWFJFHSA-N 436.533 5.171 30 10 IKEE CC(C)c1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(Cl)cc3Cl)n2)cc1 1872775789 ADCUVEYGDVBCOL-KRWDZBQOSA-N 445.371 6.496 30 10 IKEE N#C[C@@H](C(=O)/C=C/c1ccc(Cl)cc1Cl)c1nc(-c2ccc(F)c(F)c2)cs1 1872780022 XXEPXJFTAXAFCM-ZRFDWSJLSA-N 435.282 6.285 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2C)C(=O)N([C@@H]2CCCC[C@H]2C)C1=O 1873102217 IXSLUIUQLYWZGH-ISKFKSNPSA-N 438.656 6.384 30 10 IKEE C=CCNC(=O)c1c(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)sc2c1CCCC2 1873442044 CVXNGJRINDRAAY-MRXNPFEDSA-N 426.582 5.072 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(Br)c2)cc2c(NCCC(C)C)ncnc21 1873611333 VDDMEJOFNQAZIC-UHFFFAOYSA-N 442.361 5.090 30 10 IKEE CCCCCCCCCCNC(=O)c1cc(-c2ccc3c(c2)C[C@@H](C)O3)nc2ccccc12 1873935468 RNDFGUUFVMXLNZ-OAQYLSRUSA-N 444.619 7.096 30 10 IKEE Cc1ccc(OCCCc2nnc(SCc3ccccc3)n2/N=C/c2ccc[nH]2)cc1 1874252639 RNTWMMYFMAYATN-YZSQISJMSA-N 431.565 5.101 30 10 IKEE CSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccc(Cl)cc1Cl 1874253294 VAHLDDCLKWOXKT-AUEPDCJTSA-N 435.380 5.693 30 10 IKEE CCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1ccc(Cl)cc1Cl 1874295381 YHFQNCXXYTYUTR-SRZZPIQSSA-N 436.324 5.078 30 10 IKEE C=C(C)CSc1nnc(CCOc2ccccc2)n1/N=C/c1ccccc1OC(C)C 1874345361 LEUIBOCXUAUTMZ-PCLIKHOPSA-N 436.581 5.237 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccco1 1874362757 VHRIZBYOLIUBJB-MFKUBSTISA-N 436.968 5.793 30 10 IKEE Cc1ccccc1/C=N/n1c(CCc2cccs2)nnc1SCc1ccc(F)cc1 1874368606 JRIKJTBHUVXQGC-MFKUBSTISA-N 436.581 5.747 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccccc1 1874401678 SMSKBJOCSHVVRO-CVLFLDGLSA-N 432.980 6.258 30 10 IKEE Fc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCCc2ccccc2)c(F)c1 1874408209 LHPYDRLABGDXKO-WPWMEQJKSA-N 440.563 5.896 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2ccc(F)cc2)cc1 1874426925 IFULIBYXLSRDMB-ZVHZXABRSA-N 433.468 5.167 30 10 IKEE Cc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCC(=O)Nc2ccc(C)c(C)c2)cc1 1874436668 LXACQFMJSUUMTO-CVKSISIWSA-N 449.624 5.405 30 10 IKEE COC(=O)c1ccc(/C=N/n2c(SCc3ccccc3F)nnc2C2CCCC2)cc1 1874455974 UJGQREQJKFVIHO-AFUMVMLFSA-N 438.528 5.036 30 10 IKEE Clc1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2cccc3ccccc23)cc1 1874456149 CUXSIEOWXKNEHP-JVWAILMASA-N 447.007 6.917 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(C2CCCC2)n1/N=C/c1ccccn1 1874456976 TZTDOGKWNFOLFD-WYMPLXKRSA-N 432.380 5.812 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CCCC)nnc2SCCc2ccccc2)cc1 1874478752 PNTZACYBVIYCJQ-LHLOQNFPSA-N 436.625 6.017 30 10 IKEE O=[N+]([O-])c1cccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C2CCC2)c1 1874499066 WUAMKQLDISDHNK-FOKLQQMPSA-N 445.907 5.421 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1/N=C/c1cc(Br)ccc1F 1874503441 HPJFNQQMCRDNLK-FSJBWODESA-N 447.377 5.615 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C2CC2)cc1 1874523576 WIKUCIPWFPTCRY-WYMPLXKRSA-N 431.392 6.199 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Br)ccc2OCc2ccccc2F)cc1 1874579435 NPWKYIKIYJKHBO-ZRDIBKRKSA-N 425.297 6.372 30 10 IKEE CCc1ccc(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1 1874586350 JWSNAEHFGVTBBH-FOWTUZBSSA-N 443.543 5.788 30 10 IKEE CCN(CC)C(=O)COc1c(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Cl)cc1OC 1874589830 FFLWIDIAFHXFJS-MDZDMXLPSA-N 443.971 5.417 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OCc3c(Cl)cccc3Cl)c2)cc1C 1874600198 YZUACFVRPDLSMZ-ZHACJKMWSA-N 441.354 7.094 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(OC)c1OCc1ccc(F)cc1 1874604844 IDRXDMUNNYLXQM-LFIBNONCSA-N 430.519 6.600 30 10 IKEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1OCC 1874610030 XJKDJWSSCDIKDD-CSKARUKUSA-N 447.325 5.076 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Cl)c1OCC(=O)OCC(C)C 1874620278 RMOKIGZWYSDONG-RMKNXTFCSA-N 448.918 5.660 30 10 IKEE COC(=O)COc1c(Cl)cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc1OC 1874624557 JHDWQTILCMEVKD-VQHVLOKHSA-N 446.927 5.103 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc(Br)c1OC 1874628197 QVZNYAYIGJYMPI-MDWZMJQESA-N 439.305 6.155 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OCc1cc(C)ccc1C 1874631621 MBCHKVASJGPSAZ-ZRDIBKRKSA-N 430.544 6.413 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)cc(OC)c1OCCO 1874637243 PDCAYZMWZMEZJS-VOTSOKGWSA-N 437.319 5.006 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc1 1874637950 AGYRCSRCSJHARF-FOWTUZBSSA-N 445.559 5.772 30 10 IKEE O=C(Oc1cccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1)c1cccc([N+](=O)[O-])c1 1874695841 VEMDRQNXEUVXSF-JXMROGBWSA-N 442.254 6.017 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc2ccccc2c1 1875096198 BCPBGRBKMPHEFM-VGOFMYFVSA-N 447.317 7.262 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OC(=O)COc1ccccc1 1875112240 YEPLBGLHSXSYQV-WYMLVPIESA-N 436.891 5.619 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)c(C)c3)c(Cl)c2)cc1 1875114206 OGLPCPRAEWGLCW-WUXMJOGZSA-N 434.919 6.010 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OC(=O)c1cc(C)cc(C)c1 1875115270 VOBOSBAQRWJCBH-WUXMJOGZSA-N 430.500 5.826 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(C)cc2C)cc1OCC 1875134852 OHGNGRGZUMLIGP-WYMLVPIESA-N 442.983 7.127 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(F)c3)c([N+](=O)[O-])c2)c(C)c1C 1875166695 FGADRICMPJRAHM-JXMROGBWSA-N 449.434 5.475 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)c1ccccc1F 1875166812 UNZAWSZSALJXGX-JLHYYAGUSA-N 448.490 5.965 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N(CC)CC)n2CCCOC 1875220604 IDNLWHQRMFOAOC-UHFFFAOYSA-N 445.652 5.502 30 10 IKEE CC1(C)OB(c2ccc(CN(Cc3ccccc3)Cc3cccs3)c(F)c2)OC1(C)C 1915409963 JLLBYZITIWZIRH-UHFFFAOYSA-N 437.389 5.389 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@@H]1CC(C)(C)CN1C(=O)OC(C)(C)C)NCCC 1922061252 XSOKNWGEICOSAO-PKTZIBPZSA-N 430.633 5.553 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C1(C)C 1938774210 AJJBOSCGPHRSQU-JOCHJYFZSA-N 435.590 5.167 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)CCC1(C)C 1950221984 AZCJEAKRFGWMBR-DEOSSOPVSA-N 435.609 5.628 30 10 IKEE Cc1cccc(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 2008450400 ZTDUBDBZQUKZFE-IECBHUPTSA-N 427.545 5.028 30 10 IKEE C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2020299123 HECDECXCBBKPOJ-MHECFPHRSA-N 429.561 5.357 30 10 IKEE C=CCCCCCC[C@H](N)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2026019526 NOLLXDIXTFRAOA-QHCPKHFHSA-N 429.649 5.400 30 10 IKEE CC(C)(C)OC(=O)NCC[C@@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 2037234577 ZCYYQGBHFSYPDJ-BXKMTCNYSA-N 447.551 5.544 30 10 IKEE O=C(C=Cc1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(N2CCOCC2)c(F)c1 2040963559 FXBUEFUQARJESE-UHFFFAOYSA-N 446.305 6.125 30 10 IKEE CC[C@H](c1ccc(C)cc1C)n1nc(C2CCC2)c(/C=N/O)c1I 2079041524 ZDYQLUKVQSRZIZ-LASGFXPTSA-N 437.325 5.180 30 10 IKEE O/N=C/c1c(C(F)(F)F)nn([C@H](c2ccc(C3CC3)cc2)C2CC2)c1Br 2079088303 ZVXWYZMIKLEQER-MJGXDETHSA-N 428.252 5.349 30 10 IKEE CC1([C@H](c2ccc(C(F)(F)F)c(F)c2)n2nc(C(F)(F)F)c(C=O)c2Cl)CC1 2079846868 KBGPZBAOOFRTAK-ZDUSSCGKSA-N 428.735 5.915 30 10 IKEE Cc1nn(C)c(Cl)c1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2118715164 OCDBGIKUCIUDKU-CQSZACIVSA-N 439.741 5.151 30 10 IKEE C=CCN(CC[C@H](Cc1cccc(Br)c1C)NCCC)C(=O)OC(C)(C)C 2155520456 CMWLCJNSUBQCES-LJQANCHMSA-N 439.438 5.481 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@@H]1Nc1cccc(Br)c1C#N 2162335050 NXDMBCLQGAJHLO-KBXCAEBGSA-N 434.378 5.206 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc2c(c1)CCN(c1ccc(C#N)cc1Br)C2 2174809748 DHGDMSBFUYYFGD-UHFFFAOYSA-N 428.330 5.230 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1sc(C)c(Br)c1C 2226026821 YHOSZNKVXMDZPB-RDJZCZTQSA-N 445.467 6.028 30 10 IKEE C=C(CC)C[C@H](NCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229125562 GUBMDZWFEDFBHJ-OALUTQOASA-N 425.411 5.219 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1c(Cl)cc(Br)cc1Cl 2248150396 XJBOFHZHPWTVSZ-IBGZPJMESA-N 429.185 6.180 30 10 IKEE C=C([C@@H](NCCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1)[Si](C)(C)C 2248464045 XQOLRQPPFFDYQM-JOCHJYFZSA-N 446.708 5.242 30 10 IKEE Cc1c(Cl)cc(C(=O)N(Cc2ccccc2)C2CCC2)cc1B1OC(C)(C)C(C)(C)O1 2255647990 HAQPNFKWZOIUPR-UHFFFAOYSA-N 439.792 5.143 30 10 IKEE C=CC[C@]1(COc2ncc(Br)cc2Cl)CCN(C(=O)OC(C)(C)C)C1 2259587018 NXFPAMHLHUJKIS-SFHVURJKSA-N 431.758 5.080 30 10 IKEE C=C(C)CCCC[C@@H](NCCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2287381850 BEJGXKUWPBPEQI-LJQANCHMSA-N 439.438 6.973 30 10 IKEE CC=CC[C@H](NC(=O)OC(C)(C)C)[C@H](C#Cc1ccc(Br)cc1)NCCC 2296300639 KVJNUYJHFFIKJP-PMACEKPBSA-N 435.406 5.028 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C=C[C@H](N)C#Cc2ccc(Br)cc2)cc1 2296305019 NXRSSUVXKJNWFV-LJQANCHMSA-N 427.342 5.188 30 10 IKEE O=C1NC(=Nc2ccccc2Cl)SC1=Cc1cc(Br)cc(Cl)c1O 2297200104 FWBZKGLQKZGAAX-UHFFFAOYSA-N 444.137 5.353 30 10 IKEE C=CCN1C(=O)C(=Cc2c(Cl)cccc2Cl)SC1=Nc1ccc(O)cc1C(=O)O 2314926232 DNAYTPNSAWSYDP-UHFFFAOYSA-N 449.315 5.187 30 10 IKEE CC1(C)OB(c2ccc(N(Cc3ccccc3)Cc3cccs3)c(C#N)c2)OC1(C)C 2317161972 HFDJPRKHPRLHND-UHFFFAOYSA-N 430.382 5.126 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(OC)c(O)c1 2318571043 AXSKAFKJINXOOC-UHFFFAOYSA-N 448.951 5.302 30 10 IKEE O=C(O)c1ccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C2CC2)cc1 2320867876 BABNNAJNTXGMSZ-UHFFFAOYSA-N 447.347 5.335 30 10 IKEE Oc1ccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CC2)cc1O 2320909344 SZLMLUDHEFWZAA-UHFFFAOYSA-N 435.336 5.048 30 10 IKEE CCSc1nnc(CC)n1N=Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 2320975278 YWIFXOYHUGIWFT-UHFFFAOYSA-N 430.961 5.076 30 10 IKEE Cc1nnc(SCCc2ccccc2)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2321157821 QWCAQVVWMPCVGZ-UHFFFAOYSA-N 442.544 5.023 30 10 IKEE CCOC(=O)[C@H](C)Oc1ccc2c(c1C)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2321838246 QGKISAUITZXNKT-SFHVURJKSA-N 428.484 5.609 30 10 IKEE C[C@H]1CCCC[C@H]1N1COc2ccc3c(c2C1)OC(=Cc1c(F)cccc1Cl)C3=O 2322146049 RFHOCYFKQFJPEM-VBKZILBWSA-N 427.903 5.826 30 10 IKEE Cc1cc(C)cc(OCCN2COc3ccc4c(c3C2)OC(=Cc2sccc2C)C4=O)c1 2322193253 NWVVJQGQILZCPF-UHFFFAOYSA-N 447.556 5.520 30 10 IKEE COCCN1COc2c(cc3c(c2C)OC(=Cc2ccc(-c4ccccc4)cc2)C3=O)C1 2322326386 GZXGCKUEKDIGEJ-UHFFFAOYSA-N 427.500 5.077 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(F)cc1 2322484044 HPUILWMKFCAMET-UHFFFAOYSA-N 439.870 5.401 30 10 IKEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1cccc(Cl)c1)NCc1ccccc1 2322525016 FAKXEXVQVTZIFH-UHFFFAOYSA-N 440.326 5.585 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc3c(c2)OCCO3)c1OCc1ccccc1 2322671435 GQVKBRIZCLORMY-UHFFFAOYSA-N 436.891 5.595 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OC(=O)c3cc4ccccc4o3)ccc2C1=O 2322839826 OWSLFORGNZSKPR-UHFFFAOYSA-N 426.424 5.667 30 10 IKEE COc1cc(C(=O)C=Cc2ccccc2OCc2cc(C)ccc2C)c(OC)cc1Cl 2322867229 VKLASGGHRDGNRK-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2c(OCc3ccc(C)cc3)ccc3ccccc23)cc1C 2322991783 IBTGSDGODARPCG-UHFFFAOYSA-N 436.551 7.249 30 10 IKEE O=C(COc1cccc(C=CC(=O)c2ccc3c(c2)CCCC3)c1)Nc1ccccc1F 2323057572 BWAULANYLQBRHC-UHFFFAOYSA-N 429.491 5.618 30 10 IKEE Cc1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1 2323063564 HIXNPFGMQHZOPQ-UHFFFAOYSA-N 438.523 6.662 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2Cl)cc1OCc1cccc2ccccc12 2323087054 AHIGSOIWBBSIQC-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OCc3cccc(F)c3)c2)cc1OCCC 2323118087 JOPKMAJWWYWSAP-UHFFFAOYSA-N 448.534 6.878 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)C=Cc4cccc([N+](=O)[O-])c4)c3C)C2=O)o1 2323437647 GBHQUKNPYHDKFS-UHFFFAOYSA-N 431.400 5.040 30 10 IKEE CCCOC(=O)COc1c(Cl)cc(C=CC(=O)c2ccccc2Cl)cc1OCC 2323606888 KLGJSNCGKTUBLB-UHFFFAOYSA-N 437.319 5.620 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2OC)o1 2323802655 XEALQADJBZQEBQ-UHFFFAOYSA-N 440.879 5.593 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)cc(C)c3C2=O)cc1 2323813138 CURYVTHMIQIUFY-UHFFFAOYSA-N 444.483 5.626 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(C)c2)C3=O)c1 2323858194 QEEQJUHXEQNFMW-UHFFFAOYSA-N 426.468 5.704 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OCc1cccc2ccccc12 2323917451 HXADGBJPVPHCJZ-UHFFFAOYSA-N 448.562 7.360 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(OC)c1OCc1ccc(F)cc1 2323985428 VQFWPPIITYUQHF-UHFFFAOYSA-N 434.482 6.485 30 10 IKEE COC(=O)COc1c(Cl)cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC 2324261613 QMIJPXZLCHIJPD-UHFFFAOYSA-N 446.927 5.237 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2)Oc2cc(OCCCOc3ccc(Cl)cc3)ccc21 2324546009 RIGYVROPDGNLKS-UHFFFAOYSA-N 441.310 6.458 30 10 IKEE Cc1cc(C)c(COc2cc(C)c3c(c2)OC(=Cc2cn(C)c4ccccc24)C3=O)cc1C 2324765137 KNGSXERLSUGLGB-UHFFFAOYSA-N 437.539 6.607 30 10 IKEE CCc1ccc(NC(=O)[C@@H](CC)Oc2ccc3c(c2)OC(=Cc2cccc(C)c2)C3=O)cc1 2324816885 RORDZBFLNBXGPB-XMMPIXPASA-N 441.527 5.970 30 10 IKEE Cc1cc(Cl)ccc1NC(=O)COc1ccc2c(c1)OC(=Cc1sccc1C)C2=O 2325716218 FYSFCOHNEVPHJD-UHFFFAOYSA-N 439.920 5.652 30 10 IKEE Cn1c(C(=O)Oc2cccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc2ccccc21 2325722767 WHSIBEIDJJFVGU-UHFFFAOYSA-N 426.428 5.202 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1OC(=O)c1ccccc1Cl 2325729263 XNGYENADRDPWDR-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE O=C(C=Cc1cccc(OC(=O)[C@H]2C[C@H]2c2ccccc2Cl)c1)c1ccc(Cl)cc1 2325730915 QXAXFCNPSLAFLQ-VXKWHMMOSA-N 437.322 6.599 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)c2)c(C)c1 2325736445 AMFURCYVNMEUID-RPWUZVMVSA-N 430.931 6.562 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4cccc(C)c4C)cc(C)c3C2=O)cc1 2325738289 IQUJXVJXCVJYAS-UHFFFAOYSA-N 441.527 5.808 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)c1 2325740467 SNYOVHUEERNALP-UHFFFAOYSA-N 425.484 5.493 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OC(=O)c1ccc(N(C)C)cc1 2325750367 UPNNFNXVAQGHMG-UHFFFAOYSA-N 443.543 6.000 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)Cc2ccc(F)cc2F)c1 2325781276 STRCMVYHZQZNMU-UHFFFAOYSA-N 442.845 5.671 30 10 IKEE CSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1c[nH]c2ccccc12 2326040443 RSKNKLFFDQERRM-UHFFFAOYSA-N 425.945 5.029 30 10 IKEE CCc1nnc(SCc2ccccc2)n1N=Cc1ccccc1OCc1ccccc1 2326219042 OFEAKBKTSUAGCB-UHFFFAOYSA-N 428.561 5.594 30 10 IKEE CCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1ccc(N(C)C)cc1 2326331755 SRHSXVCNWPMDEA-UHFFFAOYSA-N 435.641 5.769 30 10 IKEE CCCCOc1cccc(C=Nn2c(C)nnc2SCc2ccc(Cl)cc2Cl)c1 2326698892 BVABFWFDAFSUIP-UHFFFAOYSA-N 449.407 6.247 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2C)n1N=Cc1ccc(OC)cc1 2327087655 TVHXMAFGSQSYFW-UHFFFAOYSA-N 436.581 5.157 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2OC)n1N=Cc1ccc(OCC)cc1 2328687850 LRFHZHIWSKHFAO-UHFFFAOYSA-N 436.581 5.021 30 10 IKEE Cc1cccc(C=Nn2c(CCCOc3ccccc3)nnc2SCc2ccccc2)c1 2328746327 YGCHVPOXQBPVHE-UHFFFAOYSA-N 442.588 5.773 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2C)n1N=Cc1cn(C)c2ccccc12 2329484508 ULWZKWVAMCOTDU-UHFFFAOYSA-N 429.593 5.414 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@H]2CCCO2)c(Cl)c1)c1ccc(-c2ccccc2)cc1 2330599823 ZXQHOHWRNJLMLI-RUZDIDTESA-N 432.903 5.988 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(CC)cc2)cc(OC)c1OC(=O)c1cccnc1 2330767308 HGLAKZNYQUKRTE-UHFFFAOYSA-N 427.500 5.496 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccccc3Cl)cc2[N+](=O)[O-])cc1 2330929623 SZBUROMQBZFTFN-UHFFFAOYSA-N 435.863 5.601 30 10 IKEE Oc1ccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2[C@@H]2CCCO2)cc1 2331000974 CKDRYESPGUXVAC-SFHVURJKSA-N 449.363 5.317 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(SCCc2ccccc2)nnc1C(F)(F)F 2331142790 QGZJZRRLHDWMST-UHFFFAOYSA-N 434.487 5.301 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccccc1 2331254698 QTVNDUVZDWIQFB-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)c1cccc(Cl)c1 2331327630 ZYVQDZPWVRSZHX-UHFFFAOYSA-N 434.919 6.471 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(C)(C)C)n2N=Cc2ccc(C(C)(C)C)cc2)c1 2331396913 NJJFTHDTQAHVSH-UHFFFAOYSA-N 434.653 6.664 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)C(F)(F)F 2331488640 KZTDOIJJDMYJMO-UHFFFAOYSA-N 426.818 5.836 30 10 IKEE CCc1ccc(C=Nn2c(SCC(=O)Nc3ccc(CC)cc3)nnc2C2CCC2)cc1 2331494256 PDRMFTKLRADWKZ-UHFFFAOYSA-N 447.608 5.283 30 10 IKEE Cc1ccccc1CCC(=O)Oc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1Cl 2331557623 SQTUJYMONPUQBW-UHFFFAOYSA-N 440.873 6.361 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OC(=O)c1cnccn1 2331591048 KESQVQRLMTWWPY-UHFFFAOYSA-N 446.503 5.041 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2F)cc1)c1ccc(Oc2ccccc2)cc1 2331592248 KWJKKFPCSVGUHT-UHFFFAOYSA-N 438.454 6.733 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)COc1ccccc1 2331673166 HUOAEKATYPGSFF-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)c(C)c1 2331764377 KAEDPDZXSSXCNO-UHFFFAOYSA-N 429.472 5.944 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cc(Cl)c(OC(=O)CC(C)C)c(OC)c2)cc1C 2331835127 KSILLJSTGUFYNO-UHFFFAOYSA-N 430.928 5.822 30 10 IKEE Cc1cnc(C(=O)Oc2ccc(C=CC(=O)c3cc(Cl)ccc3Cl)cc2Cl)cn1 2331860049 RAFOKBNHQPKDOM-UHFFFAOYSA-N 447.705 5.861 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(OC)c3OC)cc2)cc1 2331885582 UCUNEKINQCCIMQ-UHFFFAOYSA-N 446.499 5.390 30 10 IKEE CCC(CC)(CNC(=O)OC(C)(C)C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339579556 XVIBOJAMNJVKCH-CCEZHUSRSA-N 446.397 5.189 30 10 IKEE Cc1scc(C(=O)Nc2ccccc2OCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2343512011 QVVMUQFIWSHXFG-UHFFFAOYSA-N 449.381 5.187 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1c[nH]nc1C(C)(F)F 2360822441 XVLLOKMGROFTFO-AWEZNQCLSA-N 441.276 5.290 30 10 IKEE Cc1cc(Br)sc1CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2365048524 LMQYNNXTWXZYLI-UHFFFAOYSA-N 435.196 5.471 30 10 IKEE O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1ccccc1)n1c(nc3ccccc31)N2 17094639 NFDFMDOJNZSNTL-CJAUYULYSA-N 425.919 6.105 30 10 IKEE O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1cccc3ccccc13)n1c(nc3ccccc31)N2 19646337 DWZYNPOFZHVLRK-MYUZEXMDSA-N 447.563 6.667 30 10 IKEE COc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cccc(Cl)c1 20881526 JMMRKAYXNUNJHJ-QUGAMOGWSA-N 430.935 6.328 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(CC)cc2)C3)cc1OCC 21222954 QMCSRVVJJCPASK-RTWAWAEBSA-N 433.548 5.051 30 10 IKEE CCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(C(C)(C)C)cc2)C3)cc1OC 21258368 PEMKTDXSIIKAJE-TZIWHRDSSA-N 447.575 5.396 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(CC)cc2)c1 33422155 WNHKLFPAHOKCPU-HSZRJFAPSA-N 431.488 5.019 30 10 IKEE Cc1nc(C#N)c(N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)o1 33959145 JMZIIESHCDVYDF-MZJWZYIUSA-N 440.507 5.249 30 10 IKEE CCOc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1F 59535989 REOWOZUBTCCFMB-DHRITJCHSA-N 443.862 5.811 30 10 IKEE C=C(C)COc1cccc(NCC(=O)Nc2cccc(NC(=O)CCc3ccccc3)c2)c1 66063124 NYPVNBAMUDSXGF-UHFFFAOYSA-N 443.547 5.263 30 10 IKEE CCCc1nc2sc(C)c(-c3ccc(Cl)cc3)c2c(=O)n1Cc1cccc(C#N)c1 96530475 CDALRXSRORAHCC-UHFFFAOYSA-N 433.964 5.959 30 10 IKEE CCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2CC)S/C1=N\CCc1ccccc1 102148913 LOKJFMSLYCLMKH-YJOHERITSA-N 444.025 5.635 30 10 IKEE C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C/c1ccc(OC(F)F)cc1)C2=O 118919640 UILXPFRZQGQVFT-ZDXRRHQFSA-N 442.546 6.174 30 10 IKEE Cc1ccc(N/N=C/c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1 169877691 GFIPWUMERBPLHY-QEUXCTTPSA-N 430.555 6.797 30 10 IKEE CCOc1cc(/C=N/Nc2ccc(OC)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 169885371 OCGBLRCTBJCRGT-VULFUBBASA-N 445.346 6.426 30 10 IKEE COc1cccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2cccc(C)c2)c1 169930978 WLEDEIAXOZLSFZ-RUZDIDTESA-N 427.500 5.106 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\NC(=S)NCc2ccccc2)c(Cl)c1 169940451 AJBBZYAMFPNNGP-DIBXZPPDSA-N 446.060 6.468 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2cccc(C)c2)c1 169968272 VHMRABBWCZRDNY-HSZRJFAPSA-N 449.453 5.455 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2cc(C)ccc2O)c1 169970926 WBHMQUYNQFKWSI-HSZRJFAPSA-N 431.463 5.239 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 169975232 YBSCQVRYNXVCEH-HSZRJFAPSA-N 435.564 5.161 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2cccs2)c1 169989066 SYQGGJFZHJBRCG-FQEVSTJZSA-N 439.920 5.189 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 170051939 LEURXCNXRILHHS-NRFANRHFSA-N 448.862 5.340 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2ccccc2)c1 170052214 BGBVBLCCAARMMN-QHCPKHFHSA-N 447.918 5.830 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)[C@H]1c1ccco1)c1ccc(F)cc1 170095365 SCGATYOERVEFIK-SFHVURJKSA-N 431.341 5.220 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1cccc(OC)c1 170120480 VCNAVLIYVRJGMC-QHCPKHFHSA-N 435.564 5.680 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cccc(OC(C)C)c1 170153128 RYTGMJKOVAXEJZ-JOCHJYFZSA-N 425.500 5.300 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cc(C)cc(C)c3OC)=C(O)C(=O)N2C2CCCC2)cc1 170214636 AENJDWPTQFUYNE-HSZRJFAPSA-N 449.547 5.232 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2)cc1C(C)C 170226065 GPLHBRXTADEPME-RUZDIDTESA-N 441.527 5.992 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2)cc1C(C)C 170226126 BVJCKOBFQKZTEN-VWLOTQADSA-N 441.527 5.910 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@H]1c1ccccc1 170228299 KOGLUNAGAJRFFS-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(Cl)c(Cl)c1 170246511 JWXIAFPOJJUKAQ-IBGZPJMESA-N 430.287 5.728 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)c(Cl)c2)[C@H]1c1ccccc1C 170277030 AQMDOXZEZHXOIX-GOSISDBHSA-N 434.319 5.299 30 10 IKEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccco2)cc1 170279482 VFCHMQQFAQTXHL-XMMPIXPASA-N 438.483 5.282 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccco2)c1 170286523 FDCLOCASQLSHSE-OAQYLSRUSA-N 437.879 5.503 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccc(F)c(F)c2)o1 170299320 HULOISDUYDAMIR-OAQYLSRUSA-N 435.382 5.395 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccc(C)o2)c1 170300422 XEAYUXNPAAGORU-HSZRJFAPSA-N 431.488 5.467 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2sccc2C)cc1 170315193 OTZYKGWJNDSDHN-LJQANCHMSA-N 434.473 5.056 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1sccc1C 170315497 WQFTWGCGJRYSCR-QHCPKHFHSA-N 439.536 6.301 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C(C)(C)C)cc2)c1 170329701 TYLYHOYACOVQJH-DEOSSOPVSA-N 441.527 5.776 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(Cl)cc2)c1 170365094 KONBSSVOOUBPPL-HXUWFJFHSA-N 439.920 5.583 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 170409723 OXJZGIKDYONWKU-QFIPXVFZSA-N 444.512 5.191 30 10 IKEE CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)C(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 170469293 MNNJKRLCPXUUPH-JOCHJYFZSA-N 434.536 5.068 30 10 IKEE CCc1ccc(N=C2S/C(=C/C=C/c3ccccc3)C(=O)N2c2ccc(CC)cc2)cc1 252624531 PPVNLTXZAAHASO-OSTDAHTDSA-N 438.596 7.176 30 10 IKEE COC(=O)c1ccc(/C=C2/SC(=Nc3cccc(C)c3)N(c3cccc(C)c3)C2=O)cc1 252631833 VMWGBDZMGOXHLP-GQUXDKRHSA-N 442.540 5.899 30 10 IKEE CCC(C)(C)[C@H]1CCc2sc3ncnc(NN=Cc4cccc5ccccc45)c3c2C1 254507544 XGARXZOHWZUNPN-IBGZPJMESA-N 428.605 6.832 30 10 IKEE CC(C)COc1ccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526488462 JDHPVSDOSXERLB-RUZDIDTESA-N 442.490 5.789 30 10 IKEE Cc1ccsc1[C@@H]1C(c2ccc(OCC(C)C)cc2)=C(O)C(=O)N1c1ccc(C#N)cc1 526489631 WZHUKTLOBDEZIU-QHCPKHFHSA-N 444.556 6.020 30 10 IKEE CCOc1cc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)ccc1O 526516507 NZVQAECYSLBLJD-QHCPKHFHSA-N 446.890 5.373 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2ccc(Cl)cc2)[C@H]1c1c[nH]c2ccccc12 526606922 QDOVQTYLWZUSRH-HSZRJFAPSA-N 425.875 5.750 30 10 IKEE CCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1c(OC)ccc2ccccc12 526824993 DNHDFMASFUWXHQ-YSMPRRRNSA-N 434.540 5.706 30 10 IKEE C=CCN(CC=C)C(=O)c1cccc(NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 586716119 DRBCUIHGRUHTLH-UHFFFAOYSA-N 437.849 5.817 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCC1)[C@H](C#N)c1cccc(I)c1 698816949 RKOZEBRVHBWTGM-MRXNPFEDSA-N 426.298 5.036 30 10 IKEE C=CCC1([C@@H](NCC)c2cc(Br)ccc2F)CN(C(=O)OC(C)(C)C)C1 722918584 RGOYKRPOAAXWLB-KRWDZBQOSA-N 427.358 5.052 30 10 IKEE Cc1ccc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2cc(O)cc(Cl)c2)c(C)c1 762437286 HAXMAGLECARAKN-UHFFFAOYSA-O 436.944 5.145 30 10 IKEE CC[C@@H](C(=O)Nc1ccc(/C=C\C(=O)c2ccc(Br)cc2)cc1)c1ccccc1 1084012810 ZPJGJHMCIRXURS-FESPKCQYSA-N 448.360 6.478 30 10 IKEE COc1ccc(Cl)cc1C=Nc1sc2c(c1C(=O)NC1CCCCC1)CCCC2 1084129816 RUJHQZPNDZICIE-UHFFFAOYSA-N 431.001 6.102 30 10 IKEE Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C\c2cc(C)n(-c3ccc(F)cc3)c2C)S1 1084163614 WHHYTHNRRUMFSZ-SRZZPIQSSA-N 439.943 6.087 30 10 IKEE COc1cccc(/C(C)=C2\SC(=Nc3cccnc3Cl)N(C3CCCCC3)C2=O)c1 1772732436 FAEBGUVFHLFZEA-OIYMOPNQSA-N 441.984 6.070 30 10 IKEE COc1ccc(/C=C2\SC(=Nc3nc(C)cs3)N(c3ccccc3)C2=O)c(OC)c1 1772738668 OVPBVGNKQJKPJK-KXSRYFARSA-N 437.546 5.277 30 10 IKEE N#Cc1ccccc1S(=O)(=O)Nc1cccc(-c2nc(Cc3ccccc3)cs2)c1 1858008918 DZVCYTAVTKRCBT-UHFFFAOYSA-N 431.542 5.073 30 10 IKEE CC(C)c1ccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)nn2Cc2ccc(F)cc2)cc1 1859396072 HOWOYQKALOXWEY-UHFFFAOYSA-N 438.506 5.985 30 10 IKEE CCCCCCCCNC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 1861875691 XSSHDOHVXDFMEM-FOWTUZBSSA-N 429.988 6.418 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1cccc(C)c1 1862379810 LMJDAXHJKJSBBD-HXUWFJFHSA-N 432.347 6.070 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccccc2)cc1 1862390168 XBFOHUZUORFRIA-NIDLKEISSA-N 431.576 6.186 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2ccccc2)cc1C 1862400981 QUDHPTQQRKGMPZ-VWLOTQADSA-N 441.527 5.215 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccccc2)cc1 1862433193 XEAIUWSAGUBKMY-XMMPIXPASA-N 445.946 6.242 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccccc1Cl)c1c(F)cc(F)cc1F 1862463370 GPRGACXGMIDYEW-LJQANCHMSA-N 435.829 5.278 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCc3ccccc3)[C@@H]2c2cccc(F)c2)cc1 1862474405 NAZQFJRJHIOLGI-RUZDIDTESA-N 443.518 5.735 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccccc2C)ccc1F 1862507807 UOKWOYLNSJOZKN-QHCPKHFHSA-N 433.454 5.360 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 1862531402 NAFJVUYSDSBRAP-DEOSSOPVSA-N 449.591 5.550 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 1862533108 IRFNAVHSWRMRBA-HSZRJFAPSA-N 448.519 5.458 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(Cl)cc1Cl 1862552706 CDGSQEWJLMPMPM-FQEVSTJZSA-N 430.331 5.470 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1c(Cl)cccc1Cl 1862563295 ZSOMDNDGMMOZJY-HXUWFJFHSA-N 447.362 5.734 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccc1F 1862650262 RKIUWDVKOMHJOB-WQWSHVPRSA-N 443.518 6.136 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862663204 OYXGSDLRVJJAHO-RUZDIDTESA-N 441.527 5.597 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2cccs2)c1 1862663288 QOQLHFVVCFHQTQ-HSZRJFAPSA-N 447.556 5.659 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2ccccc2)c1 1862698908 OBCOKXUJFSZRNZ-DEOSSOPVSA-N 427.500 5.091 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc2c(c1)CCCN2C 1862722139 WGYOYDRZMOUQND-RUZDIDTESA-N 440.543 5.209 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccc(O)c1 1862722772 YOJHBFBXZKCYOU-BXKMTCNYSA-N 427.500 5.436 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2CC)cc1 1862729239 TZVLZNUTWRVTCX-VWLOTQADSA-N 441.527 5.741 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1F 1862735567 NYRXCVIMUMQPAG-NYHFZMIOSA-N 446.434 5.073 30 10 IKEE CCOc1ccc(C2=C(Nc3cccc(Cl)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862834625 XRBIBBYUESVYBC-UHFFFAOYSA-N 443.890 5.007 30 10 IKEE Cc1cc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc4ccccc4c3)C2=O)ccc1F 1863089194 BDFSZINLHDBFLN-UHFFFAOYSA-N 447.469 5.556 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(F)cc2F)C1=O 1863320630 ALBXKFPLIKIYPE-UHFFFAOYSA-N 437.490 5.389 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCC)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863633341 QMJBDTZXJYJPQP-UHFFFAOYSA-N 425.400 5.824 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccco2)=C(c2cc(C)ccc2C)C1=O 1863740130 NGYOHVKKUCJUGS-UHFFFAOYSA-N 436.596 5.907 30 10 IKEE CC(C)c1nc(Nc2ccccc2C#N)cc(N2CCC(Oc3cccc(Cl)c3)CC2)n1 1868238369 OZJXAJIBLZOXPC-UHFFFAOYSA-N 447.970 5.916 30 10 IKEE CCCN(CCCN(C)C)c1cc(Nc2ccccc2C#N)nc(-c2ccc(Cl)cc2)n1 1868438300 XBIBHOZRDRKGDH-UHFFFAOYSA-N 449.002 5.580 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC[C@@H]2Cc2ccc(Cl)cc2)nc(C(C)(C)C)n1 1869182029 QAPDLWXISOILRA-OAQYLSRUSA-N 425.020 5.817 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OC)c(=O)cc1CSc1ccc(C)cc1 1870263479 FTTSUTVICUAMEC-UHFFFAOYSA-N 431.598 5.361 30 10 IKEE CCCCCCCCn1cc(OCCCCCC)c(=O)cc1CN(C)Cc1ccccc1 1870676825 LSCPWCWRGFRHNN-UHFFFAOYSA-N 440.672 6.800 30 10 IKEE CCCCCCCOc1cn(CCOC)c(CNc2ccc(OCCCC)cc2)cc1=O 1870832028 NQSJOKZXRJIDMS-UHFFFAOYSA-N 444.616 5.635 30 10 IKEE C#CCOc1cn(CCCn2ccnc2)c(CNc2cc(C(C)C)cc(C(C)C)c2)cc1=O 1871008971 XFNGTWGGFRLOMU-UHFFFAOYSA-N 446.595 5.006 30 10 IKEE CCOCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(-c2ccccc2)cc1)C3=O 1871350394 DNBSVHKRJFKCEL-ONUIUJJFSA-N 441.527 5.548 30 10 IKEE Cc1ccc(C)c(CN2COc3c(cc4c(c3C)O/C(=C\C=C\c3ccccc3)C4=O)C2)c1 1871355802 WRJXOACNTVFKTB-GBYMPPBLSA-N 437.539 6.136 30 10 IKEE COc1ccc([C@H](C)N2COc3c(cc4c(c3C)O/C(=C\c3ccccc3F)C4=O)C2)cc1 1871359736 YNWGZPZVNYFAOA-GHRPQRKGSA-N 445.490 5.672 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccccc4)cc(C)c3C2=O)cc1OC 1871385106 GGMUJPMKTYAYDX-ILUFLWKGSA-N 442.467 5.247 30 10 IKEE Cc1cc(O)c(CN2C[C@H](C)C[C@@H](C)C2)c2c1C(=O)/C(=C/c1ccc(Cl)cc1Cl)O2 1871396573 MRQWJPIUQKHHFZ-WIEWCVORSA-N 446.374 6.102 30 10 IKEE COc1ccc(OCCOc2cc(C)c3c(c2)O/C(=C\c2cccc(OC)c2)C3=O)cc1 1871414763 NXOKWFAULXQBLM-IWIPYMOSSA-N 432.472 5.086 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(Cl)cc4)ccc3C2=O)cc1 1871440871 LVRYXORLOSSNLS-QRVIBDJDSA-N 449.890 5.372 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1Cl 1871456781 WIUUZIJTSZOIMQ-YVNNLAQVSA-N 437.854 5.421 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(F)cc2)[nH]c(N2CCC(C)CC2)n1 1871516473 YWPOFJBCFCMAHJ-UHFFFAOYSA-N 442.627 5.965 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(N(C)C)cc2)[nH]c(N(C)CCCC)n1 1871694739 OIBRNGZYMQSZDA-UHFFFAOYSA-N 427.641 5.112 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccccc1 1872015156 RENHBRMSLNILBA-HSZRJFAPSA-N 442.625 5.358 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1ccc(C)cc1 1872065699 CVSQJWDBZFOHMM-QHCPKHFHSA-N 446.588 5.207 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cccc(Cl)c1)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872223915 BVIYIUYSUZARKJ-QFIPXVFZSA-N 449.016 5.187 30 10 IKEE Cc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c(C)c1 1872759185 GTHBHXQWRXEXPO-QHCPKHFHSA-N 438.552 6.349 30 10 IKEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccc(C(C)(C)C)cc3)n2)cc1 1872770146 KZHMSCALPAFXIL-QFIPXVFZSA-N 432.589 6.452 30 10 IKEE Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)[C@H](C#N)c4nc(C(C)C)cs4)cc3C2=O)c1 1872774371 OXRVOKADYCBNOF-IBGZPJMESA-N 443.528 5.174 30 10 IKEE N#C[C@H](C(=O)Cc1cc(Cl)ccc1Cl)c1nc(-c2cccc3ccccc23)cs1 1872775490 RNGOWJDITDSLCZ-LJQANCHMSA-N 437.351 6.689 30 10 IKEE CCCc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1 1872781898 ZVTCCEQNIJMNSL-QFIPXVFZSA-N 432.589 6.252 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(C)cc3)n2)c(OC)c1OC 1872787893 AQUGKRZSSARKRH-SXAWMYDMSA-N 434.517 5.034 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)c3ccccc3Br)n2)cc1C 1872788173 WLWLYLBUVAOMGG-MRXNPFEDSA-N 441.350 5.688 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccccc3Cl)n2)c2ccccc12 1872788336 HIVHBHABXNSECG-XETPZZHUSA-N 444.943 6.515 30 10 IKEE O=C(Nc1ccc(F)cc1F)c1cccc(COc2c(F)c(F)c(F)c(F)c2F)c1 1872842375 GFLDTOIPXVZTQA-UHFFFAOYSA-N 429.291 5.492 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(OCCCCCC)cc2)=C(c2cccc(OC)c2)C1=O 1873215002 JFZQQKAGBVEMCN-UHFFFAOYSA-N 434.536 5.032 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(OC)cc2)=C(c2c(C)cc(C)cc2C)C1=O 1873331695 XGSDBJRQWREEFY-UHFFFAOYSA-N 448.607 6.173 30 10 IKEE C=CCN1C(=O)C(Nc2cccc(OCc3ccccc3)c2)=C(c2ccc(C)c(C)c2)C1=O 1873363377 RAHMCLVTMVCMTP-UHFFFAOYSA-N 438.527 5.260 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1ccccc1Cl 1874258328 VTGOBRGXWGNIES-AFUMVMLFSA-N 441.000 6.013 30 10 IKEE CCOc1c(/C=N/n2c(CCc3ccc(Cl)cc3)nnc2SCC)cccc1OC 1874283030 MBMFAIDCECGPFI-BUVRLJJBSA-N 444.988 5.118 30 10 IKEE CCCCC1CCC(c2nnc(SC)n2/N=C/c2ccc(Cl)cc2Cl)CC1 1874286051 MVJPUEVQEAANBH-YDZHTSKRSA-N 425.429 6.653 30 10 IKEE C=C(C)CSc1nnc(Cc2ccccc2F)n1/N=C/c1ccc(C(F)(F)F)cc1 1874375759 LWLPNJNCLFJJGJ-RPPGKUMJSA-N 434.462 5.577 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2-c2cccs2)c1O 1874420618 VBUDXEDQNBTDKU-YDZHTSKRSA-N 436.562 5.204 30 10 IKEE Fc1cccc(CSc2nnc(-c3cccs3)n2/N=C/c2ccccc2Cl)c1 1874421543 QVUZEUKMBYENSM-FSJBWODESA-N 428.945 5.974 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2-c2cccs2)c(F)c1 1874424303 DZWGVDPKGQXKKP-BHGWPJFGSA-N 446.935 6.113 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(F)(F)F)n2/N=C/c2cn(C)c3ccccc23)c1 1874461454 NYQURZZAZJOZPG-KBKYJPHKSA-N 443.498 5.580 30 10 IKEE Fc1cccc(CSc2nnc(-c3ccco3)n2/N=C/c2cccc3ccccc23)c1 1874466010 MUISXNALDNEWFM-CVKSISIWSA-N 428.492 6.005 30 10 IKEE Cc1ccc(CSc2nnc(C3CCC3)n2/N=C/c2ccc(C(F)(F)F)cc2)cc1 1874491726 GSBROAJPEYOQRK-LGJNPRDNSA-N 430.499 6.047 30 10 IKEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3cc(C)ccc3C)nnc2C(C)C)cc1 1874509339 XUPZYDMDCZQNTK-AFUMVMLFSA-N 435.597 5.194 30 10 IKEE CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1c(OC)ccc2ccccc12 1874524802 HHSBUBUJZFJVIF-ZVHZXABRSA-N 447.520 5.085 30 10 IKEE CCCCCCOc1ccc(/C=N/n2c(S)nnc2[C@H](C)c2ccccc2)cc1OC 1874561055 BYBCKBARADSYIF-UPMNJHNBSA-N 438.597 5.569 30 10 IKEE COC(=O)c1ccc(COc2c(/C=C/C(=O)c3ccc4ccccc4c3)cccc2OC)o1 1874571279 FIZDGDVHFWOBSB-WYMLVPIESA-N 442.467 5.703 30 10 IKEE O=C(/C=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1)c1ccc2ccccc2c1 1874571294 GAGZAXIGQLBVFE-WYMLVPIESA-N 433.334 7.622 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccccc2Cl)c1OCc1cccc2ccccc12 1874574720 BOEUZOIXMKUYNX-WUKNDPDISA-N 428.915 6.977 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc3c(c2)OCO3)c1OCc1ccccc1F 1874582679 ANQYEDSNKCJNCW-SOFGYWHQSA-N 440.854 5.692 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2nccs2)c(C)c1 1874589899 IOWIGRYBLPUTSX-GQCTYLIASA-N 440.952 5.635 30 10 IKEE COC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1cc(Cl)c(OC)c(Cl)c1 1874590729 SEZFIHKYTISTJC-HWKANZROSA-N 429.683 5.103 30 10 IKEE CCc1ccc(NC(=O)COc2cccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 1874597223 AJDGTJJNMSXZPH-WOJGMQOQSA-N 441.571 6.460 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1OCc1ccc(Cl)cc1 1874599391 KPFOMBFXYHJERM-YRNVUSSQSA-N 436.935 6.449 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1cccc(OCc2ccc(Cl)cc2)c1 1874600617 VHAGAHWBESRKOU-DHZHZOJOSA-N 427.327 6.786 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(CC)cc3)cc2OC)cc1 1874604887 KDFSYBLGHSQTTR-MHWRWJLKSA-N 443.543 5.734 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OCc1ccc(Cl)cc1 1874608379 LFNIAMCNKGVJRG-UKTHLTGXSA-N 427.327 6.867 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Cl)c1OCc1cccc(F)c1 1874608957 PUJNENOQEAELBD-MDZDMXLPSA-N 431.290 6.616 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccccc1 1874615693 LORCNSCXTWTMRT-JXMROGBWSA-N 447.745 7.131 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3C)c([N+](=O)[O-])c2)ccc1F 1874618701 OSADIPAFIFWTBR-YRNVUSSQSA-N 448.450 5.264 30 10 IKEE C[C@@H](NC(=O)COc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1)c1ccccc1 1874622258 UXQMWOWMZDLZMY-PRWBYUBPSA-N 441.571 6.136 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(OC)c1OCc1ccccc1F 1874624301 WDSYIPAEEOHBSI-NTEUORMPSA-N 434.507 6.441 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2cccc(OC)c2)CSc2nnc(CCC)n21 1874860548 OBDYNHUSKNWZBV-HXUWFJFHSA-N 430.618 5.301 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)cc1C 1875085037 MAJLIUKVKXJPPF-CSKARUKUSA-N 449.890 5.909 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3C)c(Cl)c2)cc1C 1875108216 DVKWUMSBMUIUBW-XYOKQWHBSA-N 448.946 6.400 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)ccc1OC(=O)CC1CCCCC1 1875109510 QVSOKSPBSYPCMA-JLHYYAGUSA-N 436.548 6.174 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC(=O)Cc1ccc(C)c(C)c1 1875121929 NMMNSWQUMVJFAH-ZRDIBKRKSA-N 448.946 6.400 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1)c1ccccc1 1875127138 PPSFTCVBEONEIK-SOFGYWHQSA-N 431.488 5.613 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3Cl)c([N+](=O)[O-])c2)c(C)c1 1875135076 YMZLRNGTCVTAGY-DHZHZOJOSA-N 435.863 5.980 30 10 IKEE COc1cc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2)cc(OC)c1OC 1875138284 SCUGAAIGGXXJLL-JLHYYAGUSA-N 446.499 5.445 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)CC(C)(C)C)c(OC)c2)cc1F 1875152435 DANWVUPWGJXPSD-VQHVLOKHSA-N 430.472 5.089 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OC(=O)c1ccc(C)cc1 1875154718 SHBPYUZDDTVNAT-GHRIWEEISA-N 436.507 6.662 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OC(=O)c1ccccn1 1875160203 FRIMEGZNCZVOLR-FMIVXFBMSA-N 445.515 5.512 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OC(=O)Cc1ccccc1Cl 1875163483 MQGMEPHCBMQBKF-UXBLZVDNSA-N 442.845 5.671 30 10 IKEE COc1cc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3)cc2)c(OC)cc1Cl 1875172718 IPNQTYSXLBRPFN-JLHYYAGUSA-N 436.891 5.401 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1c(OC)cccc1OC 1875179081 RNTINWOJWFJJFK-JLHYYAGUSA-N 446.499 5.445 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(N(C)C)cc2)cc1 1875184779 PSPYUPHEKAOMFL-VCHYOVAHSA-N 441.571 6.474 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(OC)c3OC)cc2)cc1 1875194496 UCUNEKINQCCIMQ-MHWRWJLKSA-N 446.499 5.390 30 10 IKEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)c3[nH]c4ccc(Cl)cc4c3-c3ccccc3)C2)c1 1891718929 ISNFKNGIIFZOIS-LJQANCHMSA-N 442.906 5.048 30 10 IKEE C=C(COCc1ccccc1)[C@@H](N)c1cc(NC(=O)OC(C)(C)C)ccc1Br 1922102228 GCDMHDNAOPXFCO-HXUWFJFHSA-N 447.373 5.569 30 10 IKEE CC1(C)CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)[C@H](CNC(=O)OC(C)(C)C)C1 1927163756 BYRATJIPXPYNMM-AVRWGWEMSA-N 449.636 5.779 30 10 IKEE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1944889097 YGBDLJWNXDPGDH-GAJHUEQPSA-N 449.617 5.415 30 10 IKEE CC[C@H]1N(C(=O)OC(C)(C)C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1991576175 MSAJRQKDCUNOJE-VGSWGCGISA-N 435.952 5.373 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)C1CC2(CCCN(C(=O)OC(C)(C)C)C2)C1 1997286212 GSUUIXIUTVIVNY-VVCJCJSVSA-N 428.617 5.165 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CN(C(=O)OC(C)(C)C)CC[C@H]1C 1999948334 XNUMFOFFNZGUAZ-KOSHJBKYSA-N 429.561 5.276 30 10 IKEE CC[C@H]1CC=C(C(=O)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)CC1 2010742149 GXCZTWWCZZBVHC-FNZWTVRRSA-N 427.585 5.536 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)C1(NC(=O)OC(C)(C)C)CC2(CCCC2)C1 2015794484 CCSZCWNWCBNLFJ-QFIPXVFZSA-N 428.617 5.355 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)[C@@H]1CCSC1(C)C 2033645866 OJBVACVRRGAZHM-XJKSGUPXSA-N 425.392 5.614 30 10 IKEE CCN[C@@]1(C#N)C[C@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)CCC1(C)C 2037862993 KVOHWMYYKQJUND-IXCJQBJRSA-N 432.656 5.071 30 10 IKEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)c2cscc2OCc2ccccc2)CC1 2038689579 YTYXMJOIVKWCTI-UHFFFAOYSA-N 439.386 5.121 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NC)c2ccc(Br)c(Cl)c2)C1 2063052389 VJPNONBQEBZFGI-MRXNPFEDSA-N 429.786 5.224 30 10 IKEE C=CC[C@H](NCCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071348502 XDRVWDVOSWCGPJ-LSYYVWMOSA-N 431.576 5.822 30 10 IKEE CCCc1ccc([C@@H](n2nc(C3CC3)c(C#N)c2I)C2(C)CC2)cc1 2079843717 IFNXFHHJJLOJAR-LJQANCHMSA-N 445.348 5.579 30 10 IKEE COc1ccc([C@H](n2nc(C(F)(F)F)c(C=NO)c2Br)C2(C)CC2)c(C)c1 2079943926 JDKSSVUCWOAEQW-HNNXBMFYSA-N 446.267 5.179 30 10 IKEE COc1c2c(nc3c(-c4cccc(C(F)(F)F)c4F)c(C(F)(F)F)nn13)CSC2 2081421082 DGKSLSUONVXJJK-UHFFFAOYSA-N 437.340 5.328 30 10 IKEE CCCC#CC[C@H](NCCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2083436223 HVAZXCFXXHFNSA-IGKIAQTJSA-N 442.644 5.392 30 10 IKEE N[C@@H](CC#CC1CCCCC1)c1cc(I)ccc1Br 2093452125 WKKIYWDSPQJFCD-INIZCTEOSA-N 432.143 5.027 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Br)ccc1Cl)NCCC 2110500705 LIZNXILNMSGLDQ-QZTJIDSGSA-N 445.829 5.483 30 10 IKEE C=CCCCCC[C@H](NCC)[C@@H](O)c1cc(Br)c(Br)s1 2147717282 GYSBUEFOPSRZMO-GXTWGEPZSA-N 425.230 5.421 30 10 IKEE CC1(C)OB(c2cc(Cl)ccc2NC(=O)c2scc(Cl)c2Cl)OC1(C)C 2152515373 ZIVWQEKYCYJSQC-UHFFFAOYSA-N 432.565 5.260 30 10 IKEE CC1(C)C[C@@H](CNc2cc(Br)cc(F)c2C#N)CN(C(=O)OC(C)(C)C)C1 2172556759 JPUPDSDYFYFLML-ZDUSSCGKSA-N 440.357 5.155 30 10 IKEE C=CCC1(Oc2ccc(Br)cc2[N+](=O)[O-])CCN(C(=O)OC(C)(C)C)CC1 2198832101 NVDHVMNWPMAVBI-UHFFFAOYSA-N 441.322 5.082 30 10 IKEE C=C(COCc1ccccc1)C(=O)c1c(NC(=O)OC(C)(C)C)cc(OC)cc1OC 2217408806 KPQMVXUJKGSMDB-UHFFFAOYSA-N 427.497 5.007 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@H](CNC(=O)OC(C)(C)C)c1ccccc1)NCC 2224059309 KSZJVHFBABFUMX-JWQCQUIFSA-N 438.612 5.436 30 10 IKEE C=C(C)CC[C@@H](NCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2229122088 CSMLGMPWCDZNPZ-MOPGFXCFSA-N 425.411 5.219 30 10 IKEE C=CCCCCCC[C@@H](N)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237417152 LPGWQPWSFDAHET-WOJBJXKFSA-N 439.438 5.739 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)cc1CC 2237537265 MYSORMULMWVPEO-PMACEKPBSA-N 437.422 5.359 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1cc(F)c(NC(=O)OC(C)(C)C)cc1F 2256273880 CLXIZAHYMSSBST-QHCPKHFHSA-N 446.538 6.126 30 10 IKEE C=CCCCCC[C@@H](NCCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2256696996 RIUJOYIVSDWZKN-XMMPIXPASA-N 444.660 5.945 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)CC 2296290975 JLXUZXQVQIGAHB-NSISKUIASA-N 437.422 5.108 30 10 IKEE O=C1C(=Cc2ccc3c(c2)OCO3)Oc2cc(OCc3ccc(Cl)c(Cl)c3)ccc21 2296871466 ZLPCXTIJYXFCFW-UHFFFAOYSA-N 441.266 5.917 30 10 IKEE CCOC1=CC(=C2C=CC(=O)C(OC)=C2)C=C(Nc2ccc(C)c(C)c2)c2c(C)oc(C)c21 2297467172 ZDRSHBNCHHWILB-UHFFFAOYSA-N 443.543 6.323 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@@H]3C[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)cc1 2308988590 YBUDTMGADNFLID-OFHLLDISSA-N 441.572 5.322 30 10 IKEE CCCOc1ccc(C=Nn2cnnc2SCc2ccc(F)cc2)cc1Br 2318574620 ONKRTDSFICMWLD-UHFFFAOYSA-N 449.349 5.143 30 10 IKEE Sc1nnc(C2CCC2)n1N=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 2321901649 BGLILFVESUIKFB-UHFFFAOYSA-N 433.364 5.602 30 10 IKEE O=C1C(=Cc2ccc3c(c2)OCO3)Oc2c1ccc1c2CN(Cc2ccccc2Cl)CO1 2321958423 UJVOJGWTZSSNSN-UHFFFAOYSA-N 447.874 5.037 30 10 IKEE CCCCCCOc1ccc(C=Nn2c(S)nnc2CCc2cccs2)cc1OC 2321988250 NJNYBQJIIMDHSR-UHFFFAOYSA-N 444.626 5.263 30 10 IKEE CCOc1cc(C=Nn2c(S)nnc2Cc2cccc3ccccc23)ccc1OC(C)C 2322132268 WADPPDABHRDDJB-UHFFFAOYSA-N 446.576 5.379 30 10 IKEE CCc1ccc(C=C2Oc3c(cc4c(c3C)OCN([C@H](C)c3ccccc3)C4)C2=O)cc1 2322371259 JMXXALNIXOXASG-LJQANCHMSA-N 425.528 6.087 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2cccc(Cl)c2)c1OCc1ccccc1F 2322524946 LDVDTUNENIJOSB-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)C=Cc2cccc(Cl)c2)nc2c(C)cccc12 2322545725 AIMZSGTVEBTEMI-UHFFFAOYSA-N 427.895 5.214 30 10 IKEE COc1ccc(NN=Cc2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1 2323072446 CSBUIWRSCRQLDV-UHFFFAOYSA-N 444.538 6.661 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1OCc1ccc([N+](=O)[O-])cc1 2323106051 SGAITGIFUUSXHK-UHFFFAOYSA-N 425.387 5.357 30 10 IKEE CCCCCCCCNC(=O)[C@@H](NC(=O)C=Cc1cccc(Cl)c1)c1ccccc1 2323144454 JTAHZLPZPJZNKZ-DEOSSOPVSA-N 426.988 5.687 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3cc(C)ccc3C)c([N+](=O)[O-])c2)cc1OC 2323444328 GWKDBHKRYDSSOP-UHFFFAOYSA-N 447.487 5.704 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(CC)cc3)cc2[N+](=O)[O-])o1 2323471487 IWTLHRQZHMSYIU-UHFFFAOYSA-N 449.459 5.402 30 10 IKEE O=C(C=Cc1cccs1)Oc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1Cl)C2=O 2323517945 ZPWKPYWDKQDRCA-UHFFFAOYSA-N 443.307 6.290 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)c(Cl)c2)cc1 2323628191 CAPZCEKSRFVFRI-GOSISDBHSA-N 449.934 5.501 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2323674884 KPUBKUBYXGKBAO-UHFFFAOYSA-N 430.460 5.125 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OC(=O)c4ccc(OCC)cc4)cc(C)c3C2=O)cc1 2323791893 YJHZSLPHFDOYOE-UHFFFAOYSA-N 444.483 5.628 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccc(C)cc4C)ccc3C2=O)cc1 2324494043 KWVJRSURVFQJCB-LJQANCHMSA-N 427.500 5.634 30 10 IKEE COc1ccc(Br)cc1C=C1Oc2c(ccc(OCCC(C)C)c2C)C1=O 2324641443 AKAKIYOFLSZSSF-UHFFFAOYSA-N 431.326 5.807 30 10 IKEE COc1ccc(C=C2Oc3cc(OCCOc4ccc(C(C)(C)C)cc4)ccc3C2=O)cc1 2324684995 KCLJGKGPSZRKGJ-UHFFFAOYSA-N 444.527 6.067 30 10 IKEE COc1ccc(OCCCOc2cc(C)c3c(c2)OC(=Cc2sccc2C)C3=O)cc1 2324706311 NZEGYWWJDNBGIZ-UHFFFAOYSA-N 436.529 5.838 30 10 IKEE CCOc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc1 2324847690 YEYGJLFQQDXZIG-LJQANCHMSA-N 438.936 5.760 30 10 IKEE CCCCCOC(=O)COc1ccc2c(c1)OC(=Cc1ccc(N(CC)CC)cc1)C2=O 2325044975 SUOZRHXAUBHXGI-UHFFFAOYSA-N 437.536 5.261 30 10 IKEE SCC1(COCc2ccc(I)c(Br)c2)CCCC1 2325381486 MGIQBTKUULHZCL-UHFFFAOYSA-N 441.172 5.061 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC(=O)CCc3ccccc3OC)c2)cc1 2325712767 VVRSRGFBCNGJPU-UHFFFAOYSA-N 442.555 6.472 30 10 IKEE COc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2325731850 BPQKKBGLHIWRLY-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C)c(C)c4)cc(C)c3C2=O)cc1 2325738618 BFMYBCCZFADDDE-UHFFFAOYSA-N 427.500 5.554 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1OC(=O)Cc1ccc(F)cc1 2325752916 UTHFNRQSCRKJFA-UHFFFAOYSA-N 426.390 5.157 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1OC(=O)C1CCCC1 2325754616 QDTBINMHAKRCBE-UHFFFAOYSA-N 442.511 6.479 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1ccc(CC)cc1 2325910022 MBOGQSKIGPSNRG-UHFFFAOYSA-N 447.391 5.887 30 10 IKEE Cc1ccc(CSc2nncn2N=Cc2cc(Cl)c(OCC(C)C)c(Cl)c2)cc1 2326287277 FXGJBLWYPJDRGQ-UHFFFAOYSA-N 449.407 6.103 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1cc(Cl)c(O)c(OC)c1 2326442585 HEGKQIXTNJGWCZ-UHFFFAOYSA-N 444.988 5.390 30 10 IKEE CSc1nnc(CCCOc2ccccc2C)n1N=Cc1c(Cl)cccc1Cl 2327048355 DFAGGMUEKKTVBV-UHFFFAOYSA-N 435.380 5.509 30 10 IKEE COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)C(=Cc3cccc(-c4ccccc4)c3)C[C@@H]12 2328656278 ICSOENKICFYXCP-ILARKSLGSA-N 448.606 7.481 30 10 IKEE Cc1ccc(OCc2nnc(SCCc3ccccc3)n2N=Cc2ccccn2)cc1C 2328794493 WFBTVGVPJWSWDW-UHFFFAOYSA-N 443.576 5.086 30 10 IKEE Fc1ccc(CSc2nnc(CCOc3ccccc3)n2N=Cc2cccs2)cc1 2329162363 FKBHKDGBXLJTPX-UHFFFAOYSA-N 438.553 5.275 30 10 IKEE CCCSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1ccc(C(F)(F)F)cc1 2329442519 OFUAKQALQOSWDE-UHFFFAOYSA-N 432.515 5.889 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2)n1N=Cc1c[nH]c2ccccc12 2330103786 FCSSHOORVJGHEO-LJQANCHMSA-N 437.572 6.086 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2Cl)n1N=Cc1cccs1 2330110257 CKUUDCDPMHROCY-MRXNPFEDSA-N 439.009 6.319 30 10 IKEE COc1ccccc1C=Nn1c(Cc2cccs2)nnc1SCc1cc(C)ccc1C 2330392198 NTPCGHKDKYDHTG-UHFFFAOYSA-N 448.617 5.730 30 10 IKEE CCOc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCCc2ccccc2)cc1 2330493611 KVPUBROCHXLDFC-UHFFFAOYSA-N 442.588 5.485 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2-c2cccs2)cc1 2330583449 AEIMIQWAUWDEOS-UHFFFAOYSA-N 448.617 6.197 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC(=O)C(C)C 2330611447 RYRNKGIJNIOEJP-UHFFFAOYSA-N 440.539 6.548 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccccc3)n2N=Cc2ccc(Cl)cc2)c1 2330674765 ZZVODSMYCPEASO-UHFFFAOYSA-N 432.980 6.390 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3cccc(OC)c3)cc2)cc1 2330825663 JPKKRFVDPKCVHB-UHFFFAOYSA-N 442.555 6.472 30 10 IKEE CC(C)COC(=O)CSc1nnc(CC(C)(C)C)n1N=Cc1ccc(C(C)C)cc1 2330872505 WMNVQQBUKUHFHI-UHFFFAOYSA-N 430.618 5.164 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C(F)(F)F)cc3)cc2)cc1 2330952897 HSTMQRCUFAUNGD-UHFFFAOYSA-N 426.390 5.829 30 10 IKEE Cc1cccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2[C@H]2CCCO2)c1 2331008944 FOXSYMMVYDBBBR-LJQANCHMSA-N 430.936 5.405 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2cccc3ccccc23)nnc1C(F)(F)F 2331146850 FERXSJATGHARQF-UHFFFAOYSA-N 426.467 5.933 30 10 IKEE CCc1ccc(C=Nn2c(SCC(=O)Nc3cccc(C)c3)nnc2-c2ccco2)cc1 2331180196 DRCZJLBPZWKGLH-UHFFFAOYSA-N 445.548 5.022 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)CC1CCCCC1 2331216447 VHWPZDRMQKGRSJ-UHFFFAOYSA-N 436.548 6.093 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3C)c([N+](=O)[O-])c2)c(C)c1 2331225244 AZNQBXHBIGYVNI-UHFFFAOYSA-N 443.499 5.954 30 10 IKEE COCC(=O)Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1Br 2331473714 XARBYSLCKWKHFZ-UHFFFAOYSA-N 425.278 5.050 30 10 IKEE COCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1c[nH]c2ccccc12 2331592239 KBKGIDXUXRHBCK-UHFFFAOYSA-N 446.363 5.387 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)c1sccc1C 2331673228 SNUFSYGNNIPFSA-UHFFFAOYSA-N 436.529 5.806 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)c(F)c3F)c(Cl)c2)cc1C 2331706377 JDHQEUBYVZKSKZ-UHFFFAOYSA-N 444.836 6.489 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)c1sccc1C 2331709911 GAELKIHCLHQXRM-UHFFFAOYSA-N 446.568 6.526 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1ccccc1OC 2331780300 YOAFBJAQLRZFNG-UHFFFAOYSA-N 430.500 5.744 30 10 IKEE CCCN[C@H](C#C[C@H]1CC1(F)F)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2366696880 WOPGBRHRYCBRBP-SUMWQHHRSA-N 443.332 5.495 30 10 IKEE Cc1cc(CSCc2cccc(Br)c2)ccc1B1OC(C)(C)C(C)(C)O1 2369728636 VOXHLCJCHSGIGP-UHFFFAOYSA-N 433.220 5.490 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(OCCCC)c(OC)c2)S/C1=N\c1ccc(O)cc1 16934852 ZAQQVZJBGWMNDG-WMOWQXFYSA-N 438.549 5.370 30 10 IKEE CN(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2O)cc1 21225250 SKPYJJGGBHDNKB-MYUZEXMDSA-N 425.532 5.438 30 10 IKEE CCc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc3c(c2)OCO3)cc1 21226036 JNDQPYFYBIQQCF-MMTVBGGISA-N 438.527 5.957 30 10 IKEE COc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cc(Cl)ccc1O 21227729 STDVKKGRSJIZSJ-WZQKQDCOSA-N 446.934 6.034 30 10 IKEE CSc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OCC(C)C)cc2)C3)cc1 21227982 GKLWBPZVBNOFTB-DENIHFKCSA-N 435.589 5.448 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc3ccccc23)cc1 21257369 JNVYXHLKDPNUOF-GBXCKJPGSA-N 425.528 5.633 30 10 IKEE CC12CC3(C)CC(C)(C1)CC(C/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)(C2)C3 27468990 ZJICJIYEAGKKDW-TXNBCWFRSA-N 435.362 5.869 30 10 IKEE O=C1/C(=C/c2ccc(Cl)c(Cl)c2)Oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc21 33367874 VBWBKEVGBGLJPN-FBHDLOMBSA-N 442.254 6.097 30 10 IKEE O=C(/C=C/c1ccc(F)cc1)c1ccc(OC(=O)N(c2ccccc2)c2ccccc2)cc1 34954848 JBVZFLRBWKXVTI-DEDYPNTBSA-N 437.470 7.059 30 10 IKEE C/C(=N/OCc1ccc2c(c1)OCO2)c1cc(-c2ccccc2)n(-c2cccc(C)c2)c1C 35843368 ISPTZVMDSPKAIB-BRPDVVIDSA-N 438.527 6.431 30 10 IKEE C=CCC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)CC1CC1 36308667 PIVZHRCNHGKWGU-XMMPIXPASA-N 431.580 5.512 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCCC)c2)[C@@H]1c1ccc(C(C)C)cc1 40101547 JUIUEDWDMVNVSW-DEOSSOPVSA-N 435.564 5.977 30 10 IKEE C=CCc1ccc(OCCCn2c([C@H](C)NC(=O)CCC)nc3ccccc32)c(OC)c1 40188991 CLSWHGDMKRAJBH-IBGZPJMESA-N 435.568 5.220 30 10 IKEE Cc1c(C(=O)Nc2cccc3cccnc23)oc2c1/C(=N/Nc1ccc(F)cc1)CCC2 40823937 KZUOSMFZCPITLH-NDZAJKAJSA-N 428.467 5.680 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4cc5ccccc5o4)ccc3C2=O)c(OC)c1 41352665 XMUPLLMFXQXSTC-KSEXSDGBSA-N 442.423 5.285 30 10 IKEE COc1ccc2c(c1)c(/C=C1\Oc3cc(OCc4ccccc4F)cc(C)c3C1=O)cn2C 41435399 HFLYKYBSFOJCEH-GATIEOLUSA-N 443.474 5.830 30 10 IKEE COc1ccc(CN2COc3cc(C)c4c(c3C2)O/C(=C\c2cccc(F)c2)C4=O)cc1 41647348 UYDJHAYZBLLWNH-FMCGGJTJSA-N 431.463 5.111 30 10 IKEE N#Cc1cc(Cl)ccc1NC(=O)c1ccc(-c2ccc(-c3ccccc3)cc2)[nH]c1=O 72451138 PZJJNIFSSAEXNF-UHFFFAOYSA-N 425.875 5.486 30 10 IKEE C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3cc4c(cc3OCC)C[C@@H](C)O4)c12 96925857 NQHLJROAYVULNT-WFTPILKQSA-N 441.531 5.402 30 10 IKEE CCCCCCCCCn1c([C@H]2CC(=O)N(c3ccccc3CC)C2)nc2ccccc21 101322144 WFZJKHRWXPVYHJ-QHCPKHFHSA-N 431.624 6.870 30 10 IKEE CCCCCCCCCn1c([C@H]2CC(=O)N(c3cccc(Cl)c3)C2)nc2ccccc21 101324401 TUOASWLELDHGKN-FQEVSTJZSA-N 438.015 6.961 30 10 IKEE CCCCCCCCOc1ccc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc1 102436744 CTJRALVEOGVEIZ-PTGBLXJZSA-N 439.646 7.140 30 10 IKEE CCOC(=O)c1ccc(C[C@@H]2S/C(=N/c3ccccc3)N(c3ccccc3)C2=O)cc1 102958266 NCQDISQJHZPPLB-OZSVZHKOSA-N 430.529 5.242 30 10 IKEE COc1cccc([C@H](C/N=C\c2cc(C)n(C3CC3)c2C)c2c[nH]c3ccccc23)c1OC 104729024 DODKOPWPASHMAM-XACFZUKVSA-N 441.575 6.189 30 10 IKEE O=NC=C1C=CN(CCC[n+]2ccc(/C=N/OCc3c(Cl)cccc3Cl)cc2)C=C1 136705442 HIJTVHGAXUOABS-WGOQTCKBSA-N 444.342 5.215 30 10 IKEE CCOc1cc(/C=N\S(=O)(=O)c2cccs2)ccc1OCc1cc(C)ccc1C 169908074 RNVNNYKQURHGJK-UCQKPKSFSA-N 429.563 5.150 30 10 IKEE CCCCCOc1ccc([C@H]2NC(=S)N(C)C(C)=C2C(=O)c2ccccc2)cc1OC 169935001 HCZOZJMCYBQZQW-HSZRJFAPSA-N 438.593 5.282 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(F)cc2)=C(O)C(=O)N1c1cccc(C)c1C 169944214 NNIHDTAJAPSPTL-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@H]2c2ccc(O)cc2)cc1 169959413 KQXANSLXZONJKZ-XMMPIXPASA-N 443.499 5.055 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccc2ccccc12 170045716 SOTAARWLBDVNBY-SANMLTNESA-N 437.495 5.530 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(Cl)cc2)ccc1F 170057489 VRKZBPPNOISPOT-OAQYLSRUSA-N 439.845 5.710 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccc(C)c2)c(OC)c1 170142026 UKGMIARFKPEHGC-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(OC(C)C)cc1 170152016 IUTONBGBSVSJEJ-OAQYLSRUSA-N 427.928 5.506 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@@H]1c1ccc(OC(C)C)cc1 170152488 ZDQHUCNAQBSFIU-QHCPKHFHSA-N 437.536 5.169 30 10 IKEE NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1c1cccc2c(O)cccc12 170181461 XPTBBRQEZIUDQV-UHFFFAOYSA-N 433.920 5.039 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1cccnc1)c1cccc2ccccc12 170184476 AZLQYNWMCBQZBT-HSZRJFAPSA-N 442.421 5.296 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1ccc(C(C)C)cc1 170246036 BVKIYYWAQOOYCV-HXUWFJFHSA-N 426.582 5.652 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@@H]2c2ccco2)cc1 170284740 UMKGWGARRTUZKH-QHCPKHFHSA-N 447.487 5.167 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(Cl)c3)[C@@H]2c2ccco2)c1 170289059 KBEULWAJWLWTSV-IBGZPJMESA-N 444.270 5.383 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2ccco2)cc1 170290882 MMLKLOFLAUMFAZ-OAQYLSRUSA-N 439.414 5.128 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@@H]1c1ccc(C)o1 170309834 HSPMWROWWSSQSK-FQEVSTJZSA-N 431.916 5.409 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(O)c1)c1ccccc1 170385912 YVAGNNSBKRGLPJ-FQEVSTJZSA-N 440.282 5.482 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cc(F)ccc2F)cc1 170454743 DDQZHOUUSCTHJC-NRFANRHFSA-N 442.506 5.326 30 10 IKEE COc1cc2sc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@H]3c3cccs3)nc2cc1C 170477533 HWCMERROGGUJGI-LJQANCHMSA-N 442.562 5.190 30 10 IKEE Cc1nc(SCC(=O)N2CCCC[C@H]2c2nc3ccccc3s2)c(C#N)c(C)c1C 248057783 UTRCJWOXZIOHCN-IBGZPJMESA-N 436.606 5.334 30 10 IKEE Cl/C(=C\C=NN=C/C=C(\Cl)c1ccc2ccccc2c1)c1ccc2ccccc2c1 254827453 ZNROLMNGIYQMRQ-OHXZIHJASA-N 429.350 7.909 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@H]2Nc1cc(Br)ccc1C#N 312185626 SUUGKEFWGHJLNO-GOSISDBHSA-N 428.330 5.767 30 10 IKEE CCN[C@H](C#Cc1ccccc1)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 407403127 ITXWBZYHDYIZJG-HXUWFJFHSA-N 429.358 5.498 30 10 IKEE Cc1cccc([C@H]2C(c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 526490107 ZKHXBPMZDGGGOG-SANMLTNESA-N 438.527 5.959 30 10 IKEE COc1ccc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1OC 526516101 MTYFXPMDTNXJIL-HSZRJFAPSA-N 446.890 5.286 30 10 IKEE Cc1cccc([C@@H]2C(c3cccc(OCC(C)C)c3)=C(O)C(=O)N2c2cccc(C#N)c2)c1 526516863 PDZHKSFGGXYBQZ-AREMUKBSSA-N 438.527 5.959 30 10 IKEE C=CCCN(c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586244347 FDKJONNFTXATER-UHFFFAOYSA-N 440.270 5.663 30 10 IKEE CCOc1ccc(NC(=O)c2ccc(NC(=O)Nc3ccccc3C#N)cc2)cc1OCC 586721860 KXUIPYZYBRTUKK-UHFFFAOYSA-N 444.491 5.252 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@]1(C#N)CCc2cc(Br)ccc2C1 698960261 FQMDKSYXVVYNCO-LJQANCHMSA-N 434.338 5.138 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CC[C@@H]2COCC[C@@H]2C1 723661689 FSMHVGWCLLWQEM-WHSLLNHNSA-N 435.362 5.290 30 10 IKEE CCOc1cc(C=Nc2sc(C(=O)OC)c(C)c2C#N)ccc1OCc1ccccc1 1084297449 ZKDONXLHKCQEOX-UHFFFAOYSA-N 434.517 5.443 30 10 IKEE C=CCCC1(CNC(=O)CCSCc2nc(O)c3c4c(sc3n2)CCC4)CCCC1 1147172085 HMHILNRXNGEZSC-UHFFFAOYSA-N 445.654 5.152 30 10 IKEE O=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)c1cc2c(nc1O)CCCC2 1161505493 DTHKOEOAXHSUHL-UHFFFAOYSA-N 436.327 5.208 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=Nc1cccnc1Cl 1772739043 UPGXQHVCCUDEGT-DJCXZETLSA-N 440.868 5.137 30 10 IKEE Cc1ccc(Cn2nc(C(=O)Nc3ccccc3C#N)cc2-c2ccc(C(C)C)cc2)cc1 1859398508 ATIHASMSMMCGMO-UHFFFAOYSA-N 434.543 6.154 30 10 IKEE CCOC(=O)c1sc(NC(=O)C2(Oc3cccc(Cl)c3)CCCCC2)c(C#N)c1C 1859735948 DSUZOEUPTULIOG-UHFFFAOYSA-N 446.956 5.479 30 10 IKEE CCCCCCCCCNC(=O)CCc1cc2c(-c3ccccc3)cc(=O)oc2cc1OC 1860325323 UIRUFYHNTNNCPH-UHFFFAOYSA-N 449.591 6.268 30 10 IKEE CC(C)OC(=O)c1ccc(CSc2nc(O)c(C#N)c(-c3ccccc3Cl)n2)cc1 1860825093 MIXWHSBJOZQLQV-UHFFFAOYSA-N 439.924 5.232 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)c1ccccc1C(F)(F)F)[C@@H](C)CC 1861049521 XMILMOGZEIPNGM-GHTZIAJQSA-N 442.566 6.107 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)Oc1ccc(Cl)cc1 1861667536 MBXBUWMKVPGJNK-UGKGYDQZSA-N 437.024 5.355 30 10 IKEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)CCCOc1c(C)cccc1C 1861676384 XHTZZZVVFOWGBX-UHFFFAOYSA-N 432.649 5.614 30 10 IKEE Cc1ccc(C)c(Cn2nc(C(=O)Nc3ccc(C#N)cc3)cc2CCc2ccccc2)c1 1862328863 BTTWIDKLSBBAJZ-UHFFFAOYSA-N 434.543 5.457 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(F)cc2F)n(Cc2ccccc2Cl)n1 1862341410 ZZGMYSJFELTQQJ-UHFFFAOYSA-N 427.882 5.344 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccccc2C)cc1 1862390136 WLJYPTARCTYIMN-XUZZJYLKSA-N 433.548 5.095 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(F)cc1 1862430510 LYCPVGXIBWVZNF-OYHNWAKOSA-N 435.882 5.819 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccccc2Cl)cc1 1862476328 INWKXVCHHLNIME-SBUREZEXSA-N 431.919 5.988 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(Cl)cc1Cl 1862539506 TUYVYPKVNHIDJU-FQEVSTJZSA-N 432.347 5.934 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccc(Cl)cc2)c1 1862557565 NIGWZFMOGGAFFH-QFIPXVFZSA-N 436.939 5.391 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C(C)C)c1 1862583019 RCASONZWUZGJML-LJQANCHMSA-N 434.319 5.379 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCC(C)C)cc1 1862649920 JOKMDEOEBJSFLP-RUZDIDTESA-N 427.544 6.027 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(Br)cc1 1862670639 YRRCULJCXBORSO-HXUWFJFHSA-N 442.353 5.561 30 10 IKEE N#Cc1ccccc1N1C(=O)C(Nc2ccc(C(F)(F)F)cc2)=C(c2cccs2)C1=O 1863119927 MVIVBUJTERUVHP-UHFFFAOYSA-N 439.418 5.035 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(OCCCCCC)cc2)=C(c2ccc(Cl)cc2)C1=O 1863168862 CYEMBDJABYWWIC-UHFFFAOYSA-N 438.955 5.677 30 10 IKEE N#Cc1cccc(NC(=O)[C@H](NC(=O)[C@@H](c2ccc(Cl)cc2)C2CC2)c2ccccc2)c1 1867003054 ZXOWIOVRFYNUOQ-DNQXCXABSA-N 443.934 5.201 30 10 IKEE CC[C@@H]1Cc2cc(OC)ccc2N(c2cc(Nc3cccc(C#N)c3)nc(C(C)C)n2)C1 1868221093 DVHXFOUWCMQLCS-GOSISDBHSA-N 427.552 5.944 30 10 IKEE CCCCCCn1cc(OCCC)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870181874 YANBAYYQIRMHTC-UHFFFAOYSA-N 427.614 5.702 30 10 IKEE CCCCN(C)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCC1=CCCCC1 1870350760 UWVHFPODPGYXBP-UHFFFAOYSA-N 433.596 5.421 30 10 IKEE CCCCCCCCCCn1cc(OCCCOc2ccccc2)c(=O)cc1CN(C)C 1870635996 OSOQSIWZVHHDMF-UHFFFAOYSA-N 442.644 5.899 30 10 IKEE CCCCCCCOc1cn(CCCOC(C)C)c(CNc2ccc(OC)cc2)cc1=O 1870837400 DLIORMAEBUJSJH-UHFFFAOYSA-N 444.616 5.633 30 10 IKEE CCCCCCCCn1cc(OCCCCC)c(=O)cc1CNc1ccc(C)c(C)c1 1871130410 QFFRGIMZHDZIOF-UHFFFAOYSA-N 426.645 7.007 30 10 IKEE C=CCn1cc(OCCCOc2ccc(Cl)cc2)c(=O)cc1CNc1ccc(C)cc1 1871218848 OLTQFQDZQMBZIR-UHFFFAOYSA-N 438.955 5.456 30 10 IKEE CCCCOCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccccc1Cl)C3=O 1871350530 JYIHXBURPDDHFU-HMAPJEAMSA-N 441.955 5.623 30 10 IKEE O=C1/C(=C/c2ccccc2)Oc2c1ccc1c2CN(C2CCCCCCCCCCC2)CO1 1871351226 QNPIQENPIYPODI-DIBXZPPDSA-N 445.603 7.128 30 10 IKEE O=C1/C(=C/c2ccco2)Oc2c1ccc1c2CN(C2CCCCCCCCCCC2)CO1 1871351304 TVEQLODVOBVQQQ-UQQQWYQISA-N 435.564 6.721 30 10 IKEE Cc1c(OC(=O)c2ccc([N+](=O)[O-])cc2)ccc2c1O/C(=C\c1ccccc1Cl)C2=O 1871371413 YINVSRBUKMVFLO-NDENLUEZSA-N 435.819 5.392 30 10 IKEE Cc1c(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cccc1[N+](=O)[O-] 1871372111 AERARSGJCGQHNT-NHDPSOOVSA-N 435.819 5.392 30 10 IKEE Cc1cc(OC(=O)c2cc3ccccc3oc2=O)cc2c1C(=O)/C(=C/c1ccc(F)cc1)O2 1871379038 HGSLJAYQGTVXLM-JJFYIABZSA-N 442.398 5.076 30 10 IKEE CC(C)c1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871380646 ZMBQRTBDFWEBHC-XGAOGLQDSA-N 444.914 6.698 30 10 IKEE C[C@@H]1C[C@@H](C)CN(Cc2c(O)ccc3c2O/C(=C\c2ccc(Cl)c(Cl)c2)C3=O)C1 1871396662 QPSZODFRFVHIOO-RYXVLCDZSA-N 432.347 5.793 30 10 IKEE COC(=O)c1ccc(/C=C2\Oc3c(ccc(OCCCOc4ccccc4)c3C)C2=O)cc1 1871398524 UHCOREKBJOHMGC-ULJHMMPZSA-N 444.483 5.246 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O 1871424606 OZGFCCCXURFPQY-QRVIBDJDSA-N 447.918 5.845 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)CCCC 1871821794 YNEQQTQUXNKZPD-HSZRJFAPSA-N 436.662 5.535 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(Nc2ccccc2)cc1)S(=O)(=O)CCC 1872146476 OMQSAOKCFCNTOX-HSZRJFAPSA-N 443.613 5.155 30 10 IKEE N#C[C@H](C(=O)C(c1ccccc1)c1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872763285 IODPFMARMZDAOI-OAQYLSRUSA-N 439.496 5.727 30 10 IKEE CC(C)c1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1 1872776021 GVHXTFXORFATPO-FCHUYYIVSA-N 443.572 5.158 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3cccc([N+](=O)[O-])c3)n2)cc1Cl 1872785943 XJNDVSJTENTTAI-YERXGYGTSA-N 439.880 5.270 30 10 IKEE Cc1nc(SCc2cccc(C(=O)Nc3ccc(N(C)C)cc3)c2)c(C#N)c(C)c1C 1872893070 FUEWISDLQIFQAW-UHFFFAOYSA-N 430.577 5.489 30 10 IKEE CCCSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1ccc(Cl)cc1 1874226394 ICGCYEDAAMDRJX-PCLIKHOPSA-N 443.016 5.944 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc(CC)cc1 1874278831 FNWNGZGGXBXBFC-MFKUBSTISA-N 425.001 5.830 30 10 IKEE CCCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1c(F)cccc1Cl 1874279325 FSXCNYNWLUWJHE-ZMOGYAJESA-N 437.371 5.894 30 10 IKEE CCCSc1nnc(CCc2ccc(OC)cc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874307965 YZJNIJIWCQPGGQ-ZVHZXABRSA-N 449.407 5.763 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccncc2)cc1C 1874320411 PUAQNKUXONKTTO-CVKSISIWSA-N 429.549 5.043 30 10 IKEE Cc1ccc(/C=N/n2c(CCc3ccc(C)c(C)c3)nnc2SCc2ccccc2)cc1 1874329903 GVLHMKPURCZFEH-MTDXEUNCSA-N 440.616 6.163 30 10 IKEE Fc1ccccc1CSc1nnc(COCc2ccccc2)n1/N=C/c1ccccc1 1874355090 BLHWZHUGNWSPLY-CVKSISIWSA-N 432.524 5.309 30 10 IKEE COc1ccc(/C=N/n2c(Cc3ccc(C)cc3)nnc2SCc2ccccc2)cc1O 1874389268 LQNLQWYDUROQKO-WGOQTCKBSA-N 444.560 5.066 30 10 IKEE CCCSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1c(OC)ccc2ccccc12 1874389806 GQOPWISDAZDNLY-YZSQISJMSA-N 430.577 5.723 30 10 IKEE C=CCSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1cccc(Br)c1 1874390107 VLGVVXDYXXXKEY-HYARGMPZSA-N 427.371 5.100 30 10 IKEE Clc1ccccc1/C=N/n1c(Cc2cccs2)nnc1SCCc1ccccc1 1874413368 QCXWFMDVXZGBBV-LFVJCYFKSA-N 439.009 5.801 30 10 IKEE Clc1cccc(CSc2nnc(Cc3cccs3)n2/N=C/c2ccccn2)c1 1874414385 PIKFSRSQIXZUES-YDZHTSKRSA-N 425.970 5.153 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(O)cc1 1874440528 GBAUXWXTUWTEKE-WYMPLXKRSA-N 449.407 6.054 30 10 IKEE Cc1cccc(CSc2nnc(C3CCCC3)n2/N=C/c2cn(C)c3ccccc23)c1 1874454403 KAIZMDVNHXQHNZ-CVKSISIWSA-N 429.593 5.910 30 10 IKEE COCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1sccc1C 1874474149 PBIGIPAAGFXYSE-UFFVCSGVSA-N 441.409 5.318 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874477030 GASZIXQHUYNEMJ-ZMOGYAJESA-N 444.988 5.471 30 10 IKEE C=CCSc1nnc(CC(C)C)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874490322 KQEBVKZOJGEHJE-MFKUBSTISA-N 441.000 5.869 30 10 IKEE CSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1/N=C/c1cccs1 1874540941 ZFBINOLBPJIJMW-RGVLZGJSSA-N 427.382 5.262 30 10 IKEE CC(C)(C)Cc1nnc(S)n1/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 1874560319 RRBJHDHVVWKASS-WYMPLXKRSA-N 449.407 5.923 30 10 IKEE COc1c(Br)cc(Br)cc1/C=C/C(=O)c1cccc2ccccc12 1874583253 DQQHUTCXJGNLHS-MDZDMXLPSA-N 446.138 6.270 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OCC(=O)Nc1nccs1 1874613384 REEOPKZGHXYQRH-SOFGYWHQSA-N 442.924 5.109 30 10 IKEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)cc2OC)o1 1874629383 AAKHQCGGWJYELU-JXMROGBWSA-N 448.515 5.784 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cc(Br)c(OC)c(OCC)c2)c1 1874630176 OTBMOKLEPNRPQA-CSKARUKUSA-N 449.341 5.550 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(OC(C)=O)cc3)c2)cc1 1874694302 VZQKQAIRKPYRPD-VIZOYTHASA-N 444.483 5.298 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(F)c(C)c3)c2)c1 1874704156 ZEEYZAUUCZLAIE-SDNWHVSQSA-N 432.491 6.103 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(C)c(C)c3)c2)c1 1874706533 MZURSLQKCVEKDQ-ZRDIBKRKSA-N 430.500 5.365 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@@H](C)c3ccccc3)c2)c(OC)c1OC 1874717520 ZYOHVSMXBBIQNX-DUVHGLKDSA-N 446.499 5.318 30 10 IKEE CCCCCCCCC(=O)NCCCc1nn2c(CCc3ccccc3C)nnc2s1 1874796889 IMDUQSKNZBMXEA-UHFFFAOYSA-N 441.645 5.079 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OC(=O)C(F)(F)F 1875097825 FBCYFZUWRGVSML-FMIVXFBMSA-N 444.449 5.666 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1OCC 1875099623 QLCOYJMFHUWMQB-PKNBQFBNSA-N 446.927 5.748 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OCC(C)C)cc3)cc2)cc1 1875099811 AIQKDMUVJPIBHO-GIJQJNRQSA-N 428.528 6.399 30 10 IKEE C[C@@H](C(=O)Oc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-])c1ccccc1 1875124426 KIOZHPAEXKJFEB-YBHKSSGVSA-N 435.863 5.853 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OC(=O)c1ccc(OC)cc1 1875127038 LSZYQBWXBRGZSO-NTEUORMPSA-N 436.891 5.863 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)c3ccccc3)c([N+](=O)[O-])c2)c(C)c1 1875134651 DEUDJZDCAFADQI-QHSLDKKCSA-N 429.472 5.817 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OCCC)cc2)cc1[N+](=O)[O-] 1875138057 GERKOSNRCGJUOV-OQLLNIDSSA-N 439.508 6.156 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3Cl)cc2)cc1 1875148506 GEHYNCKHLSDBJT-LICLKQGHSA-N 432.947 6.682 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(F)c3)cc2[N+](=O)[O-])cc1 1875151847 FTEWKFAEFZXEEE-IZZDOVSWSA-N 449.434 5.420 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2[N+](=O)[O-])cc1C 1875156852 MGBOWZFCRMZUSE-AWNIVKPZSA-N 443.499 6.450 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)C(C)(C)C)c(Cl)c2)c(OCC)c1 1875177425 KMNZDPYUPMALKT-XYOKQWHBSA-N 430.928 5.985 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2ccc(/C=C/C(=O)c3c(C)cc(C)cc3C)cc2)c1 1875182886 ZQDJFFUHKSTONE-XYOKQWHBSA-N 444.527 5.673 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)C2CC2)c(Br)c1 1875184260 QGQKPRPJQCDEHG-IZZDOVSWSA-N 441.365 6.267 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N(CC)CCCC)n2CCCOC 1875221667 ADEMGMOFGABSFN-UHFFFAOYSA-N 445.652 5.502 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N(CCC)CCCC)n2CCOC 1875226093 RDRFHFYXXBHLJL-UHFFFAOYSA-N 445.652 5.502 30 10 IKEE CC(C)(C)OC(=O)Nc1ccccc1[C@@H](C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 1912209478 AJOBVCMBGAYVKM-QGZVFWFLSA-N 430.509 5.536 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC1(N(C)C(=O)OC(C)(C)C)CCCCC1)NCCC 1922072199 RWPJLAOHLVJRHU-DEOSSOPVSA-N 444.660 6.088 30 10 IKEE C=C(COCc1ccccc1)[C@@H](Cc1ccc(CNC(=O)OC(C)(C)C)cc1)NCCC 1923126914 ZJZKQCGSIXHLKV-RUZDIDTESA-N 438.612 5.395 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2000548557 OSDTXPRZEBWZLG-MIVVTYSHSA-N 433.593 5.142 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@]1(C#N)CCCN(C(=O)OC(C)(C)C)C12CCCC2 2024623477 GAFHZIWVLJMXIF-DEOSSOPVSA-N 435.609 5.486 30 10 IKEE C=CCCCCCCCC[C@H](N)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2026310497 QJTOBYNGZQABPZ-BJKOFHAPSA-N 432.649 6.121 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@](C)(C#N)C1CCSCC1 2029441604 ZLPCYLRQQXKVQK-IBGZPJMESA-N 425.392 5.616 30 10 IKEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN(CCC(F)(F)F)Cc1ccccc1 2034728435 PARXDDSNZUDPAB-UHFFFAOYSA-N 433.323 5.249 30 10 IKEE COc1ccc(OC)c(C=CC(=O)c2c(O)nc3ccc(Cl)cc3c2-c2ccccc2)c1 2053487847 UFYBMNAMROTYCB-UHFFFAOYSA-N 445.902 6.174 30 10 IKEE Cc1ccc([C@H](C(C)C)n2nc(C(C)C)c(/C=N/O)c2I)cc1C 2079102541 QYCWCOVEZWUVMG-FWOHHPOZSA-N 439.341 5.281 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Cl)cc(Br)c1 2081552500 OWTNEMCCGKAPFU-SJORKVTESA-N 429.786 5.060 30 10 IKEE CC1(C)OB(C=C2CCN(Cc3cc(Cl)cc(Br)c3)CC2)OC1(C)C 2110461963 VZIZCRBDVJWPOR-UHFFFAOYSA-N 426.591 5.256 30 10 IKEE C=CCN(CC[C@@H](NCC)c1cc(C)c(Br)cc1C)C(=O)OC(C)(C)C 2136362622 FKVPNNJQFHVRLW-LJQANCHMSA-N 425.411 5.530 30 10 IKEE C=CCN(CC[C@@H](Cc1ccc(F)cc1Br)NCCC)C(=O)OC(C)(C)C 2155516967 PFZFYVGJGITSTR-SFHVURJKSA-N 443.401 5.312 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CC[C@H]2CCCN[C@@H]2C1 2166979532 JSXMPOAVOXBMDD-FQELHTAISA-N 434.378 5.005 30 10 IKEE CC#CCCC[C@@H](NCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2194067543 PZGNCYZKLJFOSK-WOJBJXKFSA-N 437.422 5.057 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)CCC12CC2 2214705735 AUKLQEWSLGFXEF-HSZRJFAPSA-N 447.601 5.311 30 10 IKEE Cc1sc([C@@H](C#N)N(C[C@H]2CCCO2)C(=O)OC(C)(C)C)c(C)c1Br 2219348275 BNKZPXMLHMAJHS-ZIAGYGMSSA-N 429.380 5.108 30 10 IKEE CC(C)(C)OC(=O)Nc1c(Cl)cc([C@H](N)C#Cc2ccc(Cl)cc2)cc1Cl 2239578777 NQRUIBIKSXNKJM-QGZVFWFLSA-N 425.743 6.045 30 10 IKEE Cc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2241478766 LCCKPUISQFXHPY-UHFFFAOYSA-N 441.380 5.137 30 10 IKEE CC(C)(C)CN(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2255770497 QONZONISYZXWME-UHFFFAOYSA-N 441.808 5.328 30 10 IKEE CC#C[C@@H](OCCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2261618365 RLDKMIHSPIFWRT-XMMPIXPASA-N 430.500 5.400 30 10 IKEE C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)cc1 2267581254 OZIQGBYNHMQUED-ZLPCBKJTSA-N 444.381 5.083 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@H](N)C#Cc2ccc(Br)cc2)cc1Cl 2278792682 DDXGYCJCGCOCIP-QGZVFWFLSA-N 435.749 5.501 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](N)c2cc(Br)cc(C(C)(C)C)c2)C1 2288660112 FRLCROTYIGPPBU-SFHVURJKSA-N 437.422 5.608 30 10 IKEE CC1(C)OB([C@H]2C=CC=C[C@]2(C=Cc2ccccc2)B2OC(C)(C)C(C)(C)O2)OC1(C)C 2294276871 JIVNRTMPQKZINX-HFZDXXHNSA-N 434.194 6.121 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)CC 2296018443 PITCJIJAZROPBH-FFZOFVMBSA-N 437.422 5.108 30 10 IKEE CN[C@H](C#Cc1cccc(Br)c1)c1c(C)cccc1NC(=O)OC(C)(C)C 2296281257 JPEYUQKBURQHND-GOSISDBHSA-N 429.358 5.417 30 10 IKEE C[C@@H]1Oc2ccccc2C=C1C=C1Oc2cc(OCc3ccc(F)cc3Cl)ccc2C1=O 2296535108 HCJVAUWBSSUGAA-HNNXBMFYSA-N 448.877 6.382 30 10 IKEE CCN(CC)c1ccc(C=C2SC(=Nc3ccc(C)c(Cl)c3)NC2=O)c(OC)c1 2297366942 PANTVYYITSYOMF-UHFFFAOYSA-N 429.973 5.395 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2313030552 KBGQXZSQAGWLRP-FTWJINIUSA-N 447.620 5.532 30 10 IKEE CCCCc1ccc(-n2c(C)cc(C=C3SC(=Nc4ccc(F)cc4)NC3=O)c2C)cc1 2313557874 NVZKTJYHPWQQGV-UHFFFAOYSA-N 447.579 6.467 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NC)c1cc(Cl)cc(Br)c1F 2315466213 TZPNKHLTMBKBHC-GOEBONIOSA-N 435.765 5.362 30 10 IKEE Fc1ccccc1CSc1nnc(C2CC2)n1N=Cc1cccc(Br)c1 2320855498 UQPPNVCBWOTPHZ-UHFFFAOYSA-N 431.334 5.232 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OCc4ccc(Cl)cc4Cl)c3C)C2=O)c1 2321784418 NTGMTWQOHYVROT-UHFFFAOYSA-N 441.310 6.506 30 10 IKEE Cc1c(OCc2c(F)cccc2Cl)ccc2c1OC(=Cc1ccc(C(C)C)cc1)C2=O 2321802428 WREIVHQOZUUUIJ-UHFFFAOYSA-N 436.910 7.106 30 10 IKEE C[C@@H](c1ccccc1)N1COc2ccc3c(c2C1)OC(=Cc1ccccc1OC(F)F)C3=O 2322092407 YTUVTYRQGQPUCA-INIZCTEOSA-N 449.453 5.817 30 10 IKEE CCN(CC)CCCN1COc2ccc3c(c2C1)OC(=Cc1ccc(C(C)(C)C)cc1)C3=O 2322114977 JERKFDYXZJGAIE-UHFFFAOYSA-N 448.607 5.484 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(Cl)cc(OC)c1OCc1cccc(C)c1 2322643071 FYSNUEAKVMQYLL-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE CCCCCCCCCOc1ccc(C=NNc2ccc(OC)c(Cl)c2)cc1Cl 2322926415 YALPVWNBDLAYFN-UHFFFAOYSA-N 437.411 7.577 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O)c1cccc(Br)c1 2322930392 WDMNJYFFEKBSNW-UHFFFAOYSA-N 439.236 5.424 30 10 IKEE O=C(C=Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1)c1ccc2ccccc2c1 2323047572 AHLYYXXEQYHDJG-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1OCCc1ccccc1 2323072472 LGUMSJRVGOULJM-UHFFFAOYSA-N 427.327 6.520 30 10 IKEE CCc1ccc(NC(=O)COc2cc(C=CC(=O)c3ccc(OC)cc3)ccc2OC)cc1 2323094452 PRRKSRVNUIVCQE-UHFFFAOYSA-N 445.515 5.180 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1OCc1nc(O)c2ccccc2n1 2323126385 IOZALEDDLIKTIE-UHFFFAOYSA-N 446.890 5.473 30 10 IKEE Cc1c(OC(=O)CCCOc2ccccc2)ccc2c1OC(=Cc1cccc(Cl)c1)C2=O 2323181824 HUYXSNLCSJTLSB-UHFFFAOYSA-N 448.902 6.029 30 10 IKEE O=C(C=Cc1cccc(OCc2cccc(Cl)c2)c1)c1ccc(Oc2ccccc2)cc1 2323240341 QEUXBZRYOXQBBK-UHFFFAOYSA-N 440.926 7.607 30 10 IKEE CCc1ccccc1NC(=O)COc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC 2323280043 FEDLFFCSMKCRKK-UHFFFAOYSA-N 443.543 5.788 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)ccc2OC)cc1OCc1ccc(F)cc1 2323331767 LCVJATUGGBDDSM-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2323423302 DBGZBKHMRBRVEA-UHFFFAOYSA-N 432.859 5.584 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OC(=O)C(Cl)=Cc4ccccc4)c3C)C2=O)cc1 2323441969 YDZSSZCMPXFZBA-UHFFFAOYSA-N 444.914 6.359 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 2323480029 APYJNUCVXSBJDB-UHFFFAOYSA-N 445.515 6.339 30 10 IKEE CCCCCCCCCCN1C(=O)C(=Cc2c[nH]c3ccc(OC)cc23)SC1=S 2323720979 AEKLAJLGOCOFIM-UHFFFAOYSA-N 430.639 6.518 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OC(=O)c3cccc(OC(C)C)c3)cc(C)c2C1=O 2323812476 QVILPUIYXPCCOV-UHFFFAOYSA-N 434.513 5.988 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OCC(=O)Nc1ccccc1 2323959703 KKJZCGKUAPTMKB-UHFFFAOYSA-N 429.516 5.616 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OCc1ccccc1 2324077445 GMCALGNJUWYOKZ-UHFFFAOYSA-N 440.583 7.196 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(OC)c1OCc1cccc(F)c1 2324097845 DGHRWJNHCJGZKE-UHFFFAOYSA-N 446.474 5.767 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)cc1F 2324107441 FEVPULYSJUFSTD-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(OC)c1OCc1ccc(F)cc1 2324241389 SCAIIHJHYSNVGG-UHFFFAOYSA-N 428.406 5.596 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2324450426 TVRPYTPNBMZOMJ-OAHLLOKOSA-N 449.890 5.371 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccccc2F)C3=O)c(C)c1 2324494727 ZPGDPZWZKRXLQY-GOSISDBHSA-N 445.490 5.773 30 10 IKEE Cc1ccc(OCCCOc2ccc3c(c2)OC(=Cc2cn(C)c4ccccc24)C3=O)cc1 2324545459 NNNQKDIHCFEJIP-UHFFFAOYSA-N 439.511 5.951 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCCOc3ccc(OC)cc3)ccc2C1=O 2324673028 NYGKWSKGNPFAEE-UHFFFAOYSA-N 432.472 5.168 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(F)cc3)n2)cc1C(C)C 2324693543 JAPHWXUOJXWKSQ-NRFANRHFSA-N 434.536 6.279 30 10 IKEE COc1cc(OC)c(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(C)cc3)n2)cc1Cl 2324745113 OTEVTQLPUGYWTI-QGZVFWFLSA-N 438.936 5.679 30 10 IKEE CCc1ccc(NC(=O)[C@@H](CC)Oc2ccc3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1 2324816696 NGSAFJZCGMRQBK-HSZRJFAPSA-N 445.490 5.800 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc3ccccc3c2)cc2c1C(=O)C(=Cc1ccco1)O2 2324959880 NVKSYOCMVYSDKU-UHFFFAOYSA-N 425.440 5.375 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OCc4ccc(C(=O)OC)o4)ccc3C2=O)cc1 2325377943 QEKROYYDMJVDLB-UHFFFAOYSA-N 447.487 5.108 30 10 IKEE CCOC(=O)c1ccc(COc2cc(C)c3c(c2)OC(=Cc2ccccc2Cl)C3=O)o1 2325402132 NWMHEFQRNFIKLZ-UHFFFAOYSA-N 438.863 5.613 30 10 IKEE COc1cccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccc(C)cc2)c1 2325427645 CVQPXSNNKSZEDG-UHFFFAOYSA-N 442.588 5.555 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1N=Cc1cccc(OCC)c1 2325528822 ODVFKVCTKNRLKR-UHFFFAOYSA-N 428.989 5.847 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(OC)cc1 2325532683 LZBBNBATCMJVCC-UHFFFAOYSA-N 449.407 6.111 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccccc1[N+](=O)[O-] 2325610334 IJIIAELDTYFAAN-UHFFFAOYSA-N 436.324 5.230 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(F)c(C)c3)c2)cc1OC 2325703364 OICVQAFQBSPJKF-UHFFFAOYSA-N 434.463 5.196 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cnccn3)c2)cc1OCCC 2325727142 LHJVCSAISPYGBK-UHFFFAOYSA-N 446.503 5.170 30 10 IKEE CCCc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc(C)cc3C)c2)cc1 2325736248 CAWHHRVOZIDZKD-UHFFFAOYSA-N 428.528 6.136 30 10 IKEE CCCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc([N+](=O)[O-])cc1 2326615616 XMJXXNCSDQNOER-UHFFFAOYSA-N 445.548 5.509 30 10 IKEE CCCc1nnc(SCc2ccc(Br)cc2)n1N=Cc1cccc(F)c1 2326619634 GVBQSDRDMFBUBP-UHFFFAOYSA-N 433.350 5.307 30 10 IKEE CCCc1ccc(OCc2nnc(SCc3ccc(C)cc3)n2N=Cc2ccc[nH]2)cc1 2327346533 LQGWZUATNHWTBP-UHFFFAOYSA-N 445.592 5.621 30 10 IKEE C=CCOc1ccccc1C=Nn1c(Cc2cccc3ccccc23)nnc1SCC=C 2327771867 WURYEXRXCHUPIX-UHFFFAOYSA-N 440.572 5.747 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCCc2ccccc2)n1N=Cc1ccccn1 2328558457 VNFUVAOFIPXCOB-UHFFFAOYSA-N 443.576 5.086 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)cc2C)n1N=Cc1ccc(Cl)cc1 2328897856 NTVUNTJVUKUBDY-UHFFFAOYSA-N 426.973 5.678 30 10 IKEE Cc1ccccc1CSc1nnc(COCc2ccccc2)n1N=Cc1ccccc1F 2329310014 HROFWKWSZPEVLL-UHFFFAOYSA-N 446.551 5.617 30 10 IKEE COc1cc(C=NNC(=S)NC2CCCCCCC2)ccc1OCc1ccccc1 2330452821 YECDDSZCECJJKV-UHFFFAOYSA-N 425.598 5.185 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCSC)c(Cl)c2)cc1 2330832963 UNAWQHDSQNUABZ-UHFFFAOYSA-N 430.997 6.627 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc([N+](=O)[O-])cc1 2330874314 QKEXIHNAFLTXEF-UHFFFAOYSA-N 443.960 5.603 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccccc3OC)cc2OC)cc1 2331081185 BPCNLFBANDDKFM-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccco3)n2N=Cc2cn(C)c3ccccc23)c1 2331208169 NSSOEUKVZDDRMX-UHFFFAOYSA-N 441.560 5.821 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)c1ccc(C)cc1 2331312162 OKWLLXCFAHQYSQ-UHFFFAOYSA-N 434.919 6.389 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(-n3cccc3)cc2)cc1 2331352011 UMCGNVJOUJFVGQ-UHFFFAOYSA-N 437.495 5.910 30 10 IKEE Cc1ccc(CSc2nnc(CC(C)C)n2N=Cc2ccc(Cl)cc2Cl)cc1 2331425027 QOOLQCSKAGKWBN-UHFFFAOYSA-N 433.408 6.266 30 10 IKEE Cc1ccc(CSc2nnc(CC(C)C)n2N=Cc2ccc(Br)cc2)cc1 2331425087 SRLUDDLPUAVYKF-UHFFFAOYSA-N 443.414 5.722 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccccc3)c([N+](=O)[O-])c2)cc1 2331498237 VVLFYBZDQYJWLN-UHFFFAOYSA-N 445.471 5.599 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccs3)c(Cl)c2)c(C)c1C 2331613413 KVNBYHREAMEXOA-UHFFFAOYSA-N 426.921 6.142 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1OCC 2331624784 UKQOVCJYRRFTJF-UHFFFAOYSA-N 430.928 5.966 30 10 IKEE COc1cccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C(C)C)c1O 2331716366 YDTFAPSCEAJKMA-UHFFFAOYSA-N 434.924 5.083 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)c1cccs1 2331767753 JYMNFHWSGAKGHB-UHFFFAOYSA-N 436.529 5.806 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)CC(C)C)c(OC)c2)cc1Cl 2331814885 QEGKBQXMNTVBDV-UHFFFAOYSA-N 437.319 5.858 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)c3ccccc3)c(OC)c2)cc1C 2331854760 JASBCNJWBJRMQM-FQEVSTJZSA-N 444.527 5.926 30 10 IKEE CC#CCN(C[C@@H](NCCC)c1sc(C)c(Br)c1C)C(=O)OC(C)(C)C 2337912362 YOKBUJILXWWOOG-MRXNPFEDSA-N 443.451 5.429 30 10 IKEE CC1(C)CN(Cc2ccccc2)C[C@H]1Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339543915 YFKWYNWJPCQHRB-JXVRESAISA-N 433.405 5.049 30 10 IKEE CCN[C@H](C#C[C@H]1CC1(F)F)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2341007044 UFKDIFDJASTHDD-DZGCQCFKSA-N 429.305 5.105 30 10 IKEE C=C[C@@](C)(CN[C@@H](C)CC)Cc1ccc(I)c(Br)c1 2349917098 OCPREDUGSKKOQS-BLLLJJGKSA-N 436.175 5.177 30 10 IKEE C[C@H]1CN(Cc2ccccc2)C[C@H](C)N(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2365102922 HFTCOLGGJPMVFQ-VXKWHMMOSA-N 447.432 5.073 30 10 IKEE Cc1cc(COc2cc(Cl)ccc2Br)ccc1B1OC(C)(C)C(C)(C)O1 2369684578 SAXHBBFFHJUFTE-UHFFFAOYSA-N 437.570 5.289 30 10 IKEE C=C(C)CN1C(=O)[C@@H](C)Oc2ccc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)cc21 12082150 DRFVRXUWRYRMFX-VZUFXWRPSA-N 431.319 5.335 30 10 IKEE O=C1/C(=N\Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc2N1Cc1ccccc1 16045067 SAHXSASSIRXSOT-RRAHZORUSA-N 429.829 5.722 30 10 IKEE O=C1CCCC2=C1[C@H](c1cccc(Cl)c1)n1nc(SCc3cccc(F)c3)nc1N2 20135539 XRIFHMCNQUKSLS-FQEVSTJZSA-N 440.931 5.385 30 10 IKEE C=CCn1c(C)nnc1SCC(=O)Nc1ccc2nc(SCCCC)sc2c1 20425301 NAYRIOYIFCKZQV-UHFFFAOYSA-N 433.628 5.005 30 10 IKEE CCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc1 21246720 WTJVUYYHLNYZPH-XRHLQHRESA-N 444.962 6.718 30 10 IKEE Cc1nn(-c2ccccc2)cc1/C=C1/CC(C)C/C(=C/c2cn(-c3ccccc3)nc2C)C1=O 33688469 PTKFOYVJYITOSK-KHFFFTKUSA-N 448.570 6.141 30 10 IKEE O=C1/C(=C/c2cccc3ccccc23)S/C(=N/c2ccncc2Cl)N1C1CCCCC1 39864638 AOWZKEPLKBMHPK-PCCIGMJHSA-N 447.991 6.825 30 10 IKEE CCCCCCn1c2ccccc2c2nnc(N/N=C/c3ccc(Cl)cc3Cl)nc21 64981172 QZCADVUZQSZBOI-AFUMVMLFSA-N 441.366 6.313 30 10 IKEE CCCCCCCNC(=S)NC(=O)c1ccc(OCCCC)c(Br)c1 100163616 LVNMRSWDXJQYGD-UHFFFAOYSA-N 429.424 5.203 30 10 IKEE CCOc1ccc(/C=C2/S/C(=N/Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1 100243251 ZPQSHBUBRJJJCC-RWBSCQHUSA-N 428.557 5.758 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S/C1=N/c1cccnc1Cl 101126244 MFCUCRCXDDODQD-ZXMQTSGQSA-N 440.868 5.137 30 10 IKEE O=C1/C(=C\c2ccc3c(c2)OCO3)Oc2cc(OCc3c(Cl)cccc3Cl)ccc21 103023895 AAYATBYIDSOIQZ-LSFURLLWSA-N 441.266 5.917 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1nc(=O)cc(CC(=O)OC)[nH]1 141045475 IILCGOMMIZMKPS-UHFFFAOYSA-N 449.636 5.685 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2cccc(C)c2C)c1 169933790 PLACNVYUEHGRMY-RUZDIDTESA-N 441.527 5.712 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C)c2C)c1 169933975 ONMJTTHIHXYNQK-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2cccc(Cl)c2)c1 169970102 PVKKFTUHGQFZRC-HSZRJFAPSA-N 431.919 6.048 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2C)[C@@H]1c1ccccn1 169996917 NGYPCNJGMWUPKA-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2ccc(C)c(C)c2)=C(N2CCC[C@H](C)C2)C1=O 170000736 XNRQDVXXVZRNBN-NRFANRHFSA-N 438.656 6.256 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccccc2)cc1 170032546 KGYBMUGXPUCUTF-RUZDIDTESA-N 441.527 5.875 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C2CCCCC2)c1 170039342 SBVYNOVPSBAONT-JOCHJYFZSA-N 439.939 5.650 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 170064344 CGUSSVNZXIYZML-FQEVSTJZSA-N 443.808 5.540 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccccc2C)cc1 170088728 HKINAFMHSLZTSH-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE CC(C)Oc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccco2)cc1 170095137 URDBBNDDJJLMMO-XMMPIXPASA-N 431.488 5.169 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@H]1c1cccc(OC)c1 170121194 PLYCOUCVSNUNPM-HSZRJFAPSA-N 437.536 5.171 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@H]1c1cccs1 170156394 HAUTWQZJKCGICB-NRFANRHFSA-N 437.492 5.296 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@H]1c1cccs1 170158922 LIDIEGHUVDXSCG-QFIPXVFZSA-N 449.528 5.165 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2cccs2)cc1 170159557 WNYGVIUVXVFELT-HSZRJFAPSA-N 429.541 5.718 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccs2)ccc1OC(C)C 170166703 VRTBYZAHIBZVIX-NRFANRHFSA-N 425.550 5.365 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccccn1)c1ccc2c(c1)CCCC2 170173502 SERLLTSYRKZZPE-QHCPKHFHSA-N 444.918 5.397 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2cccnc2)c1 170185177 AWWOJHLOGPRCMC-VWLOTQADSA-N 438.527 5.360 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2)ccc1OC(C)C 170221874 WIANYDQJBAZYPQ-HSZRJFAPSA-N 447.556 5.622 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccccc2)c1 170223676 XSRARMJAYCUYBJ-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(C(C)C)cc2)cc1C 170246304 WSYNIWQDJWXSSU-RUZDIDTESA-N 447.575 6.038 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccc(C)o2)cc1C 170302550 AZBLSQUITPZMLX-XMMPIXPASA-N 445.515 5.695 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1ccc(C)o1 170304063 DPMVTGHGUNXUIT-QHCPKHFHSA-N 447.487 5.167 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(C(=O)OC(C)C)cc2)c1 170459992 HVPWRIPNBIWEFC-OAQYLSRUSA-N 435.520 5.075 30 10 IKEE C=CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1ccc2ccccc2c1 253564193 GGBMTRHADNLGNE-UHFFFAOYSA-N 428.561 5.632 30 10 IKEE CCOc1ccc(N=Cc2c(Nc3ccc(OCC)cc3)nc3c(C)cccn3c2=O)cc1 254555342 KJDVQKRWGAXFOM-UHFFFAOYSA-N 442.519 5.295 30 10 IKEE CC(C)Oc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)cc1 526708736 BPMZWZFPMFCGMR-QHCPKHFHSA-N 447.918 5.910 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1/N=C\c1c(OC)ccc2ccccc12 526802301 CIDIDTOIHYFKMJ-YUMHPJSZSA-N 448.567 6.096 30 10 IKEE Cc1ccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2cc(C)cc(C)c2)cc1 526809336 ISGHSEWSQXPZOO-VEILYXNESA-N 440.616 6.163 30 10 IKEE CCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1ccccc1OCC(C)C 526823201 SUTDRHXQEACHCA-YSMPRRRNSA-N 433.581 5.312 30 10 IKEE CC(C)COc1cccc(/C=N\n2cnnc2SCc2ccc(Cl)cc2Cl)c1 526823890 ZJURTDBSXPNXSY-VROXFSQNSA-N 435.380 5.794 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)N(C)C3CCCCC3)C2)c1 585965048 IBEAVIGAPSSHHO-JOCHJYFZSA-N 440.632 5.103 30 10 IKEE CC1CCN(c2ccc(N(CCCC#N)S(=O)(=O)c3cccc(Cl)c3)cc2)CC1 586223793 SELIHOVCPXRYOO-UHFFFAOYSA-N 431.989 5.075 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CC[C@H](C)N(C(=O)OC(C)(C)C)C2)c1 698425744 CGGOWDXTFZSJPR-BXKMTCNYSA-N 445.560 5.118 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H]([C@](C)(C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 698830429 VMTSGHKLFYNGKC-HJPURHCSSA-N 449.979 5.621 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@@H](C#N)c1c(F)cccc1Br 698981752 SGAIFAQJZAYBIG-INIZCTEOSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@@H](C#N)c1cccc(Cl)c1Br 719683703 IBDXALIGHLQRDH-INIZCTEOSA-N 439.712 6.248 30 10 IKEE C=CCCCCC[C@H](NCC)c1ccc(I)c(Br)c1 721644778 BBOHCLRTUNZBKO-INIZCTEOSA-N 436.175 5.841 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C1 724088443 NMCVKBBOCQKDHR-BXKMTCNYSA-N 447.551 5.544 30 10 IKEE N#C[C@@H](C(=O)CCc1cc2ccccc2nc1O)c1nc2cc(C(F)(F)F)ccc2s1 767435105 KUVCIFQJQSKAHZ-HNNXBMFYSA-N 441.434 5.378 30 10 IKEE Cc1ccc([C@@]2(C(F)(F)F)NC(=O)N(c3ccccc3)C(=Nc3ccccc3)S2)cc1 886010550 XZHGCWUCZQEFOW-JOCHJYFZSA-N 441.478 6.361 30 10 IKEE C/N=C1\S/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)C(=O)N1C 1084070052 XKZKQIVNMJCGHJ-HPGAWOKTSA-N 437.348 5.113 30 10 IKEE O=[N+]([O-])c1ccc(Oc2ccc(C=NNc3cc(Cl)ccc3Cl)cc2)c([N+](=O)[O-])c1 1084214070 BGKSPEWEYZHFKF-UHFFFAOYSA-N 447.234 6.048 30 10 IKEE Cc1ccc(/C(Cl)=C(/C=N/Nc2ccccc2)c2cc(C#N)c(C#N)cc2[N+](=O)[O-])cc1 1614536054 HINHWLVSYWRIKX-BINWEXSQSA-N 441.878 5.852 30 10 IKEE CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=Nc1ccccn1 1772730334 DXADMNYEJSWZGF-GQZSXMDHSA-N 430.316 5.882 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=Nc1cccnc1 1772731475 NMKJKTJSOZQFGC-ZRQPATBQSA-N 432.461 5.040 30 10 IKEE CN1C(=O)/C(=C/c2cn(C)c3ccccc23)SC1=Nc1nc(-c2ccccc2)cs1 1772740190 WJYYIFRBUJGPAQ-OBBBTXPFSA-N 430.558 5.536 30 10 IKEE COc1ccccc1C=NN=C1S/C(=C/c2ccccc2C)C(=O)N1Cc1ccco1 1772758130 YCRFEXKUVGRSPU-HWVQBVCISA-N 431.517 5.103 30 10 IKEE C=CCN1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=Nc1ccc(C(=O)O)cc1 1772763191 WVEJBQSPEYYCHD-BPHBXOPHSA-N 433.316 5.482 30 10 IKEE CCCCCCCCCCn1cc(OCc2cccc3ccccc23)c(=O)cc1C(=O)O 1857890732 ASSHOEOETUISIU-UHFFFAOYSA-N 435.564 6.419 30 10 IKEE Cc1ccc(CCCC(=O)NCc2ccc(OC(=O)Nc3ccccc3C#N)cc2)cc1 1858907307 LAFOXTAFBIPPRY-UHFFFAOYSA-N 427.504 5.117 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccccc2)cc1 1862387119 DLGNAQWMTJIZMK-FQRUVTKNSA-N 439.555 6.369 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C)cc2)cc1 1862390097 VQIIGJFNXZQSBC-XMMPIXPASA-N 429.516 5.709 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc(O)c(O)c2)cc1 1862392157 QSZDJZBXAZHHCZ-QHCPKHFHSA-N 437.536 5.065 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccccc1 1862412649 JSQGHHLQWFHIIN-QFIPXVFZSA-N 427.491 5.904 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCc2cccs2)cc1 1862428981 CPOTXEVLZVEOPI-OAQYLSRUSA-N 437.948 5.531 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCCC)cc1 1862438345 AHPCFAKISRHTIN-JOCHJYFZSA-N 441.955 5.897 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1F 1862441735 CCPZMBYWFYTCDK-NYHFZMIOSA-N 435.882 5.819 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccc(F)cc2)cc1 1862528975 AOSFEQYOUVTLJQ-DEOSSOPVSA-N 447.481 5.348 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccccc1Br 1862540858 XXEJBBAHQIPSCA-FQEVSTJZSA-N 442.353 5.390 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2cccc3ccccc23)cc1 1862619965 HJEBLYAHFSJYJC-XMMPIXPASA-N 443.543 5.098 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1ccc(C(C)C)cc1 1862640255 MJKXWKKKQSRQSG-QRQCRPRQSA-N 425.500 5.335 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(C(=O)O)cc1 1862664680 OJESNLSHPZCDRF-HSZRJFAPSA-N 449.547 5.667 30 10 IKEE CCOc1cc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2[C@@H](C)CC)ccc1O 1862668538 BIJSJKWRUYYIBI-HJPURHCSSA-N 437.536 5.291 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2cccc(C)c2)cc1 1862687485 LJFONTZZXWZUJH-DEOSSOPVSA-N 431.532 5.472 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(F)cc1F)c1ccc2ccccc2c1 1862712413 QJJJEFDDCCBDAK-XMMPIXPASA-N 447.481 6.029 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(OC)cc1 1862715362 MNAPEONJDIALNL-RUZDIDTESA-N 443.543 6.007 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2[C@H](C)c2ccccc2)c1 1862747565 SFMXJGTUKHSLKT-HXOBKFHXSA-N 442.471 5.243 30 10 IKEE Cc1ccc([C@H](C#N)NC(=O)[C@@H](NC(=O)c2cccc3ccccc23)c2ccccc2)cc1 1867664193 IHTLXGUGOMTLTC-UIOOFZCWSA-N 433.511 5.000 30 10 IKEE CCc1nc(Nc2ccccc2C#N)cc(N2C[C@H](c3ccccc3)Cc3ccccc32)n1 1868286577 NTJAMXKPFPUWJP-HSZRJFAPSA-N 431.543 6.132 30 10 IKEE CCCCCCCOc1cn(CC(C)C)c(CSc2nc3ccccc3s2)cc1=O 1870252046 AHKAAIRVFGZCAY-UHFFFAOYSA-N 444.666 6.756 30 10 IKEE C=CCn1cc(OCCOc2ccccc2)c(=O)cc1CN(CCCC)CCCCCC 1870599581 FDCFRSKEAJWPPH-UHFFFAOYSA-N 440.628 5.675 30 10 IKEE C=CCOc1cn(CCc2c[nH]c3ccccc23)c(CNc2cccc(Cl)c2C)cc1=O 1870809258 SDVDBDLOYDJDAN-UHFFFAOYSA-N 447.966 5.711 30 10 IKEE CCCCCCCOc1cn(CCCOCC)c(CNc2ccccc2C(C)C)cc1=O 1870830770 YMYJPCOITHGLMY-UHFFFAOYSA-N 442.644 6.360 30 10 IKEE CCCCCCCOc1cn(CCCCCCO)c(CNc2cccc(Cl)c2)cc1=O 1870839368 QPCMYUWMYRIHIK-UHFFFAOYSA-N 449.035 6.016 30 10 IKEE CCCCCCCCn1cc(OCCC(=O)OCC)c(=O)cc1CNc1ccc(C)cc1 1870878186 DPTKRFOBBNLJSL-UHFFFAOYSA-N 442.600 5.461 30 10 IKEE C=CCn1cc(OCc2ccccc2F)c(=O)cc1CNc1ccc(N2CCCCC2)cc1 1871245258 WEYAKJFYQNROOQ-UHFFFAOYSA-N 447.554 5.355 30 10 IKEE CCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(C)c(F)c1 1871253996 MMOTZCAILDSKBN-UHFFFAOYSA-N 433.527 5.549 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O3)CN(C1CCCCCC1)CO2 1871351806 ATCMLFIBSJPENY-XYGWBWBKSA-N 445.603 6.783 30 10 IKEE Cc1cc(OC(=O)c2cccc([N+](=O)[O-])c2)cc2c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O2 1871374092 QMCRMLCWGUYXGD-FMCGGJTJSA-N 443.455 5.862 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(F)cc2)C3=O)cc1[N+](=O)[O-] 1871374703 BELMBYYLSYRKRT-NHDPSOOVSA-N 433.391 5.186 30 10 IKEE CCN(CCc1ccncc1)Cc1c(O)ccc2c1O/C(=C\c1cccc(Cl)c1)C2=O 1871394243 MPHXZOUSEYEFET-HAHDFKILSA-N 434.923 5.121 30 10 IKEE C[C@H](Oc1ccc2c(c1)O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O)C(=O)Nc1ccccc1 1871403928 DFIKILLRQLJSSJ-SAHIIKMKSA-N 441.527 6.006 30 10 IKEE Cc1c(O[C@@H](C)C(=O)Nc2ccccc2Cl)ccc2c1O/C(=C\c1ccncc1)C2=O 1871405835 QNVRSUXLEYCCEV-MNAFEPAFSA-N 434.879 5.066 30 10 IKEE CCCCCCOC(=O)COc1ccc2c(c1C)O/C(=C\c1c(F)cccc1Cl)C2=O 1871421977 PKNJMSUWPNTYOR-BKUYFWCQSA-N 446.902 5.906 30 10 IKEE CCc1ccc(NC(=O)[C@@H](CC)Oc2ccc3c(c2)O/C(=C\c2sccc2C)C3=O)cc1 1871425060 FIZNWOUERUWHRC-FYYJVHHASA-N 447.556 6.031 30 10 IKEE Cc1c(OCc2ccc(C(=O)OC(C)C)o2)ccc2c1O/C(=C\c1cccc(F)c1)C2=O 1871439089 HJRIATGWDTXWTI-UUYOSTAYSA-N 436.435 5.488 30 10 IKEE CC(C)=C1Oc2cc(O[C@H](C)C(=O)Nc3nc(-c4ccccc4)cs3)cc(C)c2C1=O 1871444314 XKHRAGYBDNIQIT-OAHLLOKOSA-N 434.517 5.394 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccccc1CC)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872494299 KIOWZAYJTZXKMV-YKSBVNFPSA-N 442.625 5.178 30 10 IKEE C=CCN([C@@H](C(=O)Nc1cccc(C)c1C)[C@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872521311 HJKICKGKWYYPLQ-MZNJEOGPSA-N 442.625 5.150 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)cc1C)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872547669 FHFQSRFXIVMOSG-HYBUGGRVSA-N 442.625 5.232 30 10 IKEE N#C[C@@H](C(=O)Cc1ccc(Cl)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872759494 QKEDPUREVLNHPX-QFIPXVFZSA-N 428.944 6.549 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3Br)n2)cc1 1872768317 PIBMZLAXJNYLQQ-MRXNPFEDSA-N 427.323 5.461 30 10 IKEE COc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc1 1872776200 KNHMEIFZMZXUHL-QFIPXVFZSA-N 434.561 5.978 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)Cc3ccc(C)c(C)c3)n2)cc1C(C)C 1872779262 FSCCWOMGCBHGOB-QFIPXVFZSA-N 432.589 6.286 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc(COc2ccccc2Br)cc1 1872862827 NGEGNBBMVKGLPT-UHFFFAOYSA-N 446.429 6.899 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(F)cc2)C(=O)N([C@H]2CCCC[C@@H]2C)C1=O 1873137700 KPEORQXFNMTKRI-REWPJTCUSA-N 442.619 6.215 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC2CCCCC2)=C(c2ccc(OC)cc2)C1=O 1873141746 OBUDANAVYCGYMP-UHFFFAOYSA-N 440.628 5.838 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc([N+](=O)[O-])cc2)=C(c2ccc(C)c(C)c2)C1=O 1873362777 HPVHRGIUOAKINL-UHFFFAOYSA-N 449.551 5.764 30 10 IKEE COc1cc(/C=N/Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1Cl 1873499050 ZOELVMKWZBLPMV-BRJLIKDPSA-N 435.738 6.680 30 10 IKEE C=CCNC(=O)c1ccc(Cn2c(Cc3ccc(OC(C)C)cc3)nc3ccccc32)cc1 1873508067 BHAWEUUSYYJKJV-UHFFFAOYSA-N 439.559 5.378 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(OCC)cc2)cc2c(NCc3cccc(C)c3)ncnc21 1873617625 ZIZADLFBMBPKQX-UHFFFAOYSA-N 441.535 5.189 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc2c(N(CC)CC)ncnc21 1873670637 HTENEKKZJAPWRB-UHFFFAOYSA-N 440.551 5.459 30 10 IKEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3ccc(N4CCCC4)cc3)c(=O)oc2c1 1873946810 IMFHTPNIJXGNDU-UHFFFAOYSA-N 446.547 5.228 30 10 IKEE C=C(C)CSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1cccc(OCC)c1 1874269560 CEYPSQDYMDMLBO-WPWMEQJKSA-N 442.588 5.971 30 10 IKEE C(=N/n1c(Cc2cccc3ccccc23)nnc1SCCc1ccccc1)\c1ccco1 1874270271 NWAZMZGOMSHULD-ZXVVBBHZSA-N 438.556 5.832 30 10 IKEE CCCCC1CCC(c2nnc(SCCCO)n2/N=C/c2cccc(Cl)c2)CC1 1874286840 ZYLCOHVPMNLKIK-LFVJCYFKSA-N 435.037 5.752 30 10 IKEE COc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccc(C)cc2)cc1 1874291985 GDVKCMWEUCOQNV-WGOQTCKBSA-N 444.560 5.349 30 10 IKEE Clc1ccc(CSc2nnc(CCOc3ccccc3)n2/N=C/c2ccc[nH]2)cc1 1874347546 UIIUWHDUONVVIN-MFKUBSTISA-N 437.956 5.056 30 10 IKEE COc1ccc(Cc2nnc(SCc3cc(C)ccc3C)n2/N=C/c2ccco2)cc1 1874349445 LWEFJDHQKBJPPA-MFKUBSTISA-N 432.549 5.262 30 10 IKEE COc1ccc(/C=N/n2c(COc3ccccc3)nnc2SCc2ccccc2F)cc1 1874384449 PKZDDAZBICLOLM-CVKSISIWSA-N 448.523 5.179 30 10 IKEE COc1cccc(/C=N/n2c(SCc3cccc(F)c3)nnc2C2CCCC2)c1OC 1874454622 PXDISHRBDMXQPX-AFUMVMLFSA-N 440.544 5.267 30 10 IKEE C=C(C)CSc1nnc(CC)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874526918 OCCUFMSQHQFFOE-ZMOGYAJESA-N 426.973 5.623 30 10 IKEE Cc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874533839 DQHRGNOIATXPGJ-ODCIPOBUSA-N 440.287 5.115 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1F 1874582502 QPVJCRIPZSWDLY-JXMROGBWSA-N 431.290 6.616 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2c(C)cccc2C)cc1Cl 1874590708 HPPXCGGJLOYYKP-ACCUITESSA-N 449.934 5.879 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1OCc1c(F)cccc1Cl 1874592920 JICVOTFNVZBZBO-UKTHLTGXSA-N 446.905 7.116 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3c(C)cccc3C)c2)cc1C 1874593410 ISESODJMNDFRQL-ACCUITESSA-N 429.516 5.534 30 10 IKEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3cccc(OC)c3)cc2Cl)o1 1874605504 ROIWTKLVZJLGSK-RMKNXTFCSA-N 426.852 5.203 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C 1874614357 MXSWHGSMQGWNJS-VAWYXSNFSA-N 449.934 5.879 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc(OC)c1OCc1cccc(C)c1 1874629861 YWWPXVYZBFBNDQ-ZHACJKMWSA-N 446.543 6.113 30 10 IKEE C=CCOc1c(Br)cc(/C=C/C(=O)c2ccc(OC)cc2OC)cc1OCC 1874632736 RQEQSRRKGMQMRS-JXMROGBWSA-N 447.325 5.326 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)[C@@H](C)c1ccccc1 1874692971 GZTWAROICSEUNA-HVJHFUJKSA-N 431.444 5.209 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2)c1 1874694397 AXSAUQHNDZKZFU-YRNVUSSQSA-N 447.443 5.036 30 10 IKEE COc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3cc(C)ccc3C)c2)cc1[N+](=O)[O-] 1874703519 UBHWTOHBKVRDSY-PKNBQFBNSA-N 431.444 5.336 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1OC(=O)Cc1ccc(F)cc1 1874711780 HZPKJKZHTSVGPE-XYOKQWHBSA-N 446.518 6.112 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(F)cc3F)c2)c(C)c1C 1874711884 KOBTVIZJKXWMHU-YRNVUSSQSA-N 436.454 5.634 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2)cc1C 1874718341 VAHDGHUASKCMKT-DHZHZOJOSA-N 445.471 5.644 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1 1875106960 SOWMFWBNEDXIBN-QGOAFFKASA-N 429.472 6.053 30 10 IKEE CCCCCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OC 1875125840 DBPNMKMBWOKWFZ-NTEUORMPSA-N 430.928 6.129 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc3ccccc23)c(Cl)c1)c1ccc(Cl)cc1 1875126132 RDTYPWGYMDHNJB-RIYZIHGNSA-N 447.317 7.262 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1ccc(C)cc1 1875183789 SMHVVYIPAGZVII-UKTHLTGXSA-N 428.528 6.434 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3cc(C)c(OC)cc3C)cc2)cc1 1875186600 DBFGSOXEIQQYPY-OQLLNIDSSA-N 444.527 5.755 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(-c4cccc(F)c4)cc3)ccc21 1891174443 JYHCIPJHPMATKY-UHFFFAOYSA-N 444.506 5.683 30 10 IKEE N#Cc1ccc(CNC(=O)Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1F 1891709458 DWONLTLLGCUMOX-UHFFFAOYSA-N 431.898 5.213 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Cl)cc1Br 1898036187 RAZJAQUNLXPCDU-ZWKOTPCHSA-N 443.813 5.450 30 10 IKEE SCCCCCCSc1cc(I)ccc1Br 1900791612 LFHHCAGXHYBFPL-UHFFFAOYSA-N 431.202 5.636 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1csc([C@@H](C)NC(=O)OC(C)(C)C)n1 1922079898 JNFCOOCQODDSJO-XLIONFOSSA-N 431.602 5.152 30 10 IKEE C=C(COCc1ccccc1)C(=O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 1922082753 JSXWZAGKKKHIMK-UHFFFAOYSA-N 446.341 5.752 30 10 IKEE C=C([C@H](NCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1)[Si](C)(C)C 1923038085 BJTAETOKJMJSCU-KRWDZBQOSA-N 427.459 5.880 30 10 IKEE C=C1CCC(C[C@@H](NCCC)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)CC1 1946545569 BRGJZWPIOQAVHG-RPWUZVMVSA-N 430.633 5.601 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C)([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C1 2022135694 QXBXQRAWLAPECD-FDDCHVKYSA-N 449.979 5.621 30 10 IKEE CC[C@]1(Nc2cccc(Br)c2C#N)CCCN(C(=O)OCc2ccccc2)C1 2043970065 FMBNKEDGLUNZHZ-QFIPXVFZSA-N 442.357 5.314 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NC)c2c(Cl)ccc(Br)c2F)C1 2077087266 FUTSNPHLNWTMNJ-OAHLLOKOSA-N 433.749 5.116 30 10 IKEE Fc1cc(C(F)(F)F)cc(-n2nc(C3CCC3)c(Br)c2C(F)(F)F)n1 2078865897 DSKZCEBKZBKCGP-UHFFFAOYSA-N 432.137 5.474 30 10 IKEE CCc1ccc([C@H](C2CCC2)n2nc(C3(C)CC3)c(C#N)c2I)cc1 2079089725 GOSBADCFRJXRPQ-SFHVURJKSA-N 445.348 5.363 30 10 IKEE C[C@]1(C2CC2)CSC(=Nc2ccc(Cl)c(I)c2Cl)N1 2093948383 FDFXORHUGSFVSR-CYBMUJFWSA-N 427.138 5.091 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCCCCC1(F)F 2096452884 NBIUZSFTIOWODV-SFHVURJKSA-N 429.305 6.052 30 10 IKEE CCCN[C@]1(C#N)C[C@H](CC)C[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)C1 2118769536 KWKDAMLAABDANV-MOZWKJSSSA-N 446.683 5.461 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCC)c2c(F)cccc2Br)C1 2126629236 FTNISBIDZJNMQB-KRWDZBQOSA-N 427.358 5.100 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)C[C@H]2CC(F)(F)C[C@H]2C1 2160217993 UJIQXUPGTDVSHF-HBCWATKFSA-N 441.316 5.908 30 10 IKEE CC(C)(C)OC(=O)NCCCN(C[C@@H](C#N)C(C)(C)C)c1cccc(Br)c1 2174565142 KJLOZATZKFWKCB-MRXNPFEDSA-N 438.410 5.356 30 10 IKEE Cc1cccc(NC(=O)c2cc(Br)cc(NC(=O)OC(C)(C)C)c2)c1C#N 2181053868 QCDITZRZOVBHOE-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE CN(c1cc(Br)cc(F)c1C#N)[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21 2190472864 VYLLHIHUUMEDAR-DZKDUJFISA-N 429.333 5.280 30 10 IKEE C=CCCCCCCC[C@@H](NC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2235526823 OUFFKRWZVNGQMM-LJQANCHMSA-N 439.438 6.973 30 10 IKEE C=CCCC1([C@@H](NCCC)c2ccnn2Cc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2255001047 ITAFCHZWAHDAFU-QHCPKHFHSA-N 438.616 5.175 30 10 IKEE CCC#CC[C@@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2262618888 IUFPFLJIGDFXGE-AREMUKBSSA-N 429.560 5.665 30 10 IKEE O=C(C#Cc1cccc(Br)c1)c1cccc(Br)c1Br 2278760034 SEOHBJCHWALOSE-UHFFFAOYSA-N 442.932 5.209 30 10 IKEE CCN[C@H](C#CC1CCCCC1)c1ccc(I)c(Br)c1 2289791110 MSRKGUWCSVMVGC-QGZVFWFLSA-N 446.170 5.288 30 10 IKEE CCCN1C(=O)C(=Cc2ccc(OC)c(Cl)c2)SC1=Nc1ccc(OCC)cc1 2297461833 DLGWNTCNKOEYDP-UHFFFAOYSA-N 430.957 5.761 30 10 IKEE C=CC[C@H](Oc1cc(Br)c(Cl)cc1N)[C@H]1CCN1C(=O)OC(C)(C)C 2314297400 HBDMSQPYGBGHIR-CABCVRRESA-N 431.758 5.018 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1 2314429745 NUDYTHQZDAJULJ-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE COc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(Br)cc3)c2)cc1 2314430114 WQQQKFBQGNDUCM-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE COc1ccccc1C=C1Oc2cc(OCc3c(F)c(F)c(F)c(F)c3F)ccc2C1=O 2314438227 LVQWJMXWNITUDB-UHFFFAOYSA-N 448.343 5.586 30 10 IKEE O=C1C(=Cc2ccc(Br)o2)SC(=Nc2ccccn2)N1c1ccccc1 2314541997 RNEINOZZKCYPIQ-UHFFFAOYSA-N 426.295 5.246 30 10 IKEE Cc1cc(C#N)ccc1Sc1cc(I)ccc1Br 2316383084 XCAJZSANHHABQB-UHFFFAOYSA-N 430.108 5.385 30 10 IKEE FC(F)(F)c1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cccc2[nH]ccc12 2321784396 FWJNCXBKUGDULI-UHFFFAOYSA-N 435.862 5.606 30 10 IKEE Cc1ccc(Cc2nnc(S)n2N=Cc2cccc(OCc3cccc(Cl)c3)c2)cc1 2321968413 DJOCETRBKIEMHH-UHFFFAOYSA-N 448.979 5.581 30 10 IKEE CC[C@@H](C)N1COc2c(cc3c(c2C)OC(=Cc2cn(CC)c4ccc(OC)cc24)C3=O)C1 2322371061 LVNQUEFTMUFZFQ-MRXNPFEDSA-N 446.547 5.545 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccccc2OCc2ccccc2)cc1 2322749031 YNDZTMNRKSPPRB-UHFFFAOYSA-N 428.572 7.511 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccccc2OCC(=O)NCCC)cc1 2322749037 ZSKVOMLVBHUJAK-UHFFFAOYSA-N 437.580 5.837 30 10 IKEE O=C(Cc1ccc(Cl)cc1)Oc1ccc2c(c1)OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2322894797 MTXFBMHYRAVQPX-UHFFFAOYSA-N 435.819 5.013 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OC(=O)c4cccc(NC(C)=O)c4)c3C)C2=O)cc1 2322969211 SFXRQCKPERCIJK-UHFFFAOYSA-N 441.483 5.351 30 10 IKEE O=C(COc1cccc(C=CC(=O)c2ccc(Cl)cc2Cl)c1)NC1CCCCC1 2323075954 ZRFOCCJSBTVZIZ-UHFFFAOYSA-N 432.347 5.717 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Br)cc2)c(Br)c1OC 2323081529 RNLQBRFRCKUUDC-UHFFFAOYSA-N 426.104 5.125 30 10 IKEE COc1cc(C=NNc2nc3ccccc3s2)cc([N+](=O)[O-])c1OCc1cccc(C)c1 2323153833 MXGSHKDWJWFFEC-UHFFFAOYSA-N 448.504 5.547 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OC(=O)c3ccc(C)c(C)c3)cc(C)c2C1=O 2323258829 SHFAFJRDCATUEB-UHFFFAOYSA-N 428.484 5.846 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cccc(OCC(=O)Nc2cc(C)ccc2C)c1 2323260572 XAMWAKHVDKKIDL-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OC(=O)c3c(F)cccc3Cl)cc(C)c2C1=O 2323363922 UCIIUYQTPNCBGT-UHFFFAOYSA-N 428.868 5.993 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)cc(Cl)c1OCc1ccc(C)cc1 2323635313 JJINWURFYQAVTK-UHFFFAOYSA-N 436.935 6.531 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)C=Cc1ccc(OCC)cc1 2323812474 QTRNKYHSIBRAAW-DEOSSOPVSA-N 430.633 5.640 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Br)c1OCCc1ccccc1 2323813529 WYXFNHGNEDSTLK-UHFFFAOYSA-N 437.333 5.975 30 10 IKEE CCCOc1ccc(C=NNc2nc(-c3ccc(OC)cc3)cs2)cc1Br 2323840771 VMHVZABTBFACTQ-UHFFFAOYSA-N 446.370 5.816 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 2323997401 DTSWTAIBYDZUEE-UHFFFAOYSA-N 437.879 6.040 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1ccc(F)cc1 2324073874 TYDLRLMRQMYKBY-UHFFFAOYSA-N 432.535 6.997 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)c1 2324455601 TTYAJTYXJWRLON-KRWDZBQOSA-N 447.918 5.979 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(Cl)cc3Cl)n2)cc1 2324499197 NLSKFDFEWNSHCY-SFHVURJKSA-N 443.355 6.405 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OCCCCOc4cccc(C)c4)c3C)C2=O)c1 2324574135 UXNGWHKICPGQNV-UHFFFAOYSA-N 428.528 6.466 30 10 IKEE O=C1C(=Cc2ccc([N+](=O)[O-])cc2)Oc2cc(OCCOc3ccc(Cl)cc3)ccc21 2324666008 KLYZPPYFPPMVSS-UHFFFAOYSA-N 437.835 5.322 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2OC)cc1OC(=O)Cc1cc(C)ccc1C 2325722862 PWIRYISVKUMQEJ-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE COc1cc(C(=O)C=Cc2cccc(OC(=O)c3ccccc3F)c2)c(OC)cc1Cl 2325759106 SKQVIKCALIYJKG-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2cccc(OC(=O)c3cccc(C)c3)c2)cc1Cl 2325759572 OQOYGUHNUMIGBJ-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE CCOc1cc(C=Nn2c(CC)nnc2SCc2ccc(C)cc2)cc(Cl)c1OC 2326296239 DIKCAIPJAWTUHD-UHFFFAOYSA-N 444.988 5.384 30 10 IKEE COc1cc(C=Nn2c(C)nnc2SCc2cc(C)ccc2C)cc(Cl)c1OC 2326589383 XUWPQJZAIWLBNI-UHFFFAOYSA-N 430.961 5.048 30 10 IKEE CCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1ccccc1C(F)(F)F 2326674293 GHDJDGZBCNDNOK-UHFFFAOYSA-N 429.471 5.296 30 10 IKEE CCOc1cc(C=Nn2c(C)nnc2SCc2cccc(F)c2)ccc1OC(C)C 2326727336 SLNHPQRQAUFRFK-UHFFFAOYSA-N 428.533 5.086 30 10 IKEE CCCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(OC)c(OC)c1 2327771842 LHFOEPSJVZNBGZ-UHFFFAOYSA-N 446.576 5.424 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2cccc(F)c2)n1N=Cc1cccn1C 2329478166 SMNNIZXOSZQURQ-UHFFFAOYSA-N 433.556 5.024 30 10 IKEE CSc1nnc(-c2ccccc2Cl)n1N=Cc1cc(Br)ccc1F 2329522088 MJIBYMLEJURQIB-UHFFFAOYSA-N 425.714 5.104 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2cccc(O)c2)cc1 2330002398 LZTDMOLZUGLYMY-UHFFFAOYSA-N 428.561 5.100 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccc(F)cc2)n1N=Cc1cccc(F)c1 2330064091 ZOSLQCBIIUCELK-QGZVFWFLSA-N 434.515 5.883 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(Cc2cccs2)n1N=Cc1cccs1 2330449650 UNSCSHNVGBDMJX-UHFFFAOYSA-N 449.001 5.959 30 10 IKEE Oc1ccc(Cl)cc1C=Nn1c(SCc2ccccc2)nnc1-c1cccs1 2330583137 JPBIOKUHPCHMAA-UHFFFAOYSA-N 426.954 5.540 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)ccc1OC(=O)CCc1ccccc1C 2330765290 UCRVAECEKYVMDS-UHFFFAOYSA-N 442.555 6.390 30 10 IKEE Cc1cccc(C)c1OCCCC(=O)Oc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1 2331116096 JBZUUFKJSUCQDB-UHFFFAOYSA-N 448.946 6.618 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cccc(Cl)c3)cc2)cc1[N+](=O)[O-] 2331117844 RBCAOYYAUYDPFO-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE O=C(COCc1ccccc1)Oc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1Cl 2331123082 AYBOJFQTDLNNLA-UHFFFAOYSA-N 441.310 6.012 30 10 IKEE COC(=O)c1ccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2-c2ccco2)cc1 2331208166 NLKGJJJFZHYSGZ-UHFFFAOYSA-N 446.532 5.116 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3[N+](=O)[O-])c(OC)c2)cc1 2331212862 CIDRUBFHUXOUOV-UHFFFAOYSA-N 447.443 5.117 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1 2331239460 BQHBJRMNZQWNAH-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE CC(C)C(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1Br 2331242858 RULFANBIBIBHQS-UHFFFAOYSA-N 442.136 6.213 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)CCCSC 2331313324 DQMJYDFOJQRRLX-UHFFFAOYSA-N 432.969 5.910 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c([N+](=O)[O-])c2)c1 2331322758 MYKVJAKAPFJESB-UHFFFAOYSA-N 446.415 5.235 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccn3)c([N+](=O)[O-])c2)cc1 2331417435 PAWCXNURRIAJLK-UHFFFAOYSA-N 430.460 5.403 30 10 IKEE COCc1nnc(SCc2cccc(C)c2)n1N=Cc1c(OC)ccc2ccccc12 2331562588 VJACWXGOULCMJZ-UHFFFAOYSA-N 432.549 5.069 30 10 IKEE COCC(=O)Oc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1Br 2331794684 KCEJWLBNWXCRJZ-UHFFFAOYSA-N 445.353 5.503 30 10 IKEE COc1cccc(OCC(=O)Oc2ccc(C=CC(=O)c3cc(C)c(OC)cc3C)cc2)c1 2331835411 HGAWLYBSKUTNQN-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE CC1(C)OB(C=Cc2ccc(N[C@@H]3CN(Cc4ccccc4)C4(CCC4)C3)nc2)OC1(C)C 2365048798 OUITVYHTIQYLPD-QHCPKHFHSA-N 445.416 5.335 30 10 IKEE O=C(/C=C\Nc1ccc(Cl)cc1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 8781797 UDFZBKMPPRVBTD-QXMHVHEDSA-N 432.734 7.034 30 10 IKEE C=CCn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1cc(OC)cc(OC)c1 35847672 HHUCYHMCLHSASA-UHFFFAOYSA-N 435.471 5.459 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S/C1=N/c1cccc(C)n1 39863438 FKLIVAPXALQYSF-YJECAWTJSA-N 446.488 5.348 30 10 IKEE C=CCc1ccccc1OCc1nc2ccccc2n1CCOc1ccc2ccccc2c1 39907170 WGEAOEURSRSUAX-UHFFFAOYSA-N 434.539 6.576 30 10 IKEE C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCC)c1 40079447 BTBPEXQMOSCTNR-XMMPIXPASA-N 449.547 5.417 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1cccc2ccccc12 40080359 QEESSMFMWQLKIE-XMMPIXPASA-N 429.516 5.535 30 10 IKEE C=CCc1ccccc1OCCn1c([C@H](C)NC(=O)c2ccc(C)cc2)nc2ccccc21 40185863 ZTQUFOSUIGKSEP-NRFANRHFSA-N 439.559 5.643 30 10 IKEE Cc1c(C(=O)Nc2cccc(Cl)c2)oc2c1/C(=N/Nc1ccc([N+](=O)[O-])cc1)CCC2 40814760 GRKPSXQPNSCBIM-NLRVBDNBSA-N 438.871 5.554 30 10 IKEE Cc1c(C(=O)Nc2nccs2)oc2c1/C(=N/Nc1cccc(C(F)(F)F)c1)CCC2 40824041 NEQGAAQMLVDPNQ-MZJWZYIUSA-N 434.443 5.468 30 10 IKEE C/C(=N/Nc1nc(SCc2ccc(Cl)c(Cl)c2)n[nH]1)c1ccc2ccccc2c1 59022019 IEVFSFYLRFLSSY-MXAYSNPKSA-N 442.375 6.393 30 10 IKEE Cc1ccc(-n2c(C)cc(/C=C3/S/C(=N\Cc4cc(C)cc(C)c4)NC3=O)c2C)cc1 59432609 RSRZKZHJFFGQSI-ZVHZXABRSA-N 429.589 5.780 30 10 IKEE O=C1N[C@](c2ccccc2)(C(F)(F)F)S/C(=N/C2CCCCC2)N1C1CCCCC1 96178888 QXPCMONMGSTKOM-QRUUQNQBSA-N 439.547 6.182 30 10 IKEE CCCCCCCOc1ccc(C(=O)Oc2ccc(Br)cc2C(=O)O)cc1 100150535 IOMDAMRZELRGSN-UHFFFAOYSA-N 435.314 5.716 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1 100153196 DDMGPXNNHWBOMF-UHFFFAOYSA-N 446.613 5.319 30 10 IKEE CCCCCCCOc1ccc(C(NC(=O)C(C)(C)C)NC(=O)C(C)(C)C)cc1OC 100917122 SAMOBSAYYMGTDH-UHFFFAOYSA-N 434.621 5.368 30 10 IKEE CCCCCCCOc1c(Cl)cc(C(=O)NC[C@H](c2ccco2)N(C)C)cc1Cl 101343870 SQXBBQFWIWDXCU-LJQANCHMSA-N 441.399 5.968 30 10 IKEE Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1/C=N/N=C1\C[C@H]2CC[C@@]1(C)C2(C)C 101918663 XENYMGYDDPGISX-YJEIDARMSA-N 444.554 6.733 30 10 IKEE CCOc1ccccc1/N=C1/SC[C@H](C)N1C(=O)CC(c1ccccc1)c1ccccc1 105093128 KUIFEZJFZVKLAD-IJOGZLALSA-N 444.600 6.259 30 10 IKEE C=CCSc1ccccc1N[C@H](C)c1ccc(Br)cc1Br 109900815 ACABBCDFCJCORX-GFCCVEGCSA-N 427.205 6.663 30 10 IKEE O=[N+]([O-])c1ccc(Oc2ccnc(N=C(c3ccccc3)c3ccccc3)c2Cl)c(F)c1 114425006 MYWFEMBDJCCQDZ-UHFFFAOYSA-N 447.853 6.744 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2cccc(C)c2)c1 169966685 RWWBXLCSLJTOBZ-OAQYLSRUSA-N 448.544 5.250 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2C)[C@H]1c1ccccc1 170051793 SRIJIPPJWZCTKE-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2cccc(O)c2)cc1 170081518 PODZFZPVVZKCJN-JOCHJYFZSA-N 449.890 5.227 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)ccc4[nH]3)[C@@H]2c2ccc(C)o2)c1 170103582 QCCCMBRFDIRRAJ-JOCHJYFZSA-N 441.487 5.172 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2sccc2C)cc1 170107056 FLZLHCJYZNPFTH-IBGZPJMESA-N 439.920 5.501 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@@H]2c2cccs2)cc1 170157006 BUZJRLANUIYLGR-QFIPXVFZSA-N 433.529 5.410 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2cccs2)cc1 170157739 FQCUKFGFYPNCGH-QFIPXVFZSA-N 449.528 5.328 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccccc2)cc1 170227273 DLNFGMHZRMKFRN-BXKMTCNYSA-N 425.484 5.101 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1 170243844 NKVYEQXTAZYHHU-LJQANCHMSA-N 436.310 5.901 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccccc1F 170253730 NCVUMSJDPAEXSA-HXUWFJFHSA-N 443.902 5.317 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1cn(C)c2ccccc12 170269290 NZIWBMATVOIFKG-DEOSSOPVSA-N 446.547 5.344 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccco2)c1 170280909 BLCYTDYAUIBHMN-XMMPIXPASA-N 445.515 5.975 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccco1 170292720 UUUCWAQTCMDHAZ-QFIPXVFZSA-N 430.504 5.059 30 10 IKEE CN(C)c1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C(C)(C)C)cc2)cc1 170443621 FEWRSOSWNQAHLS-QHCPKHFHSA-N 444.531 5.426 30 10 IKEE Cc1ccc(C(=O)CCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1 170494093 KDGVNAFMLQGWPB-UHFFFAOYSA-N 434.495 6.395 30 10 IKEE N#Cc1cc(Br)c(OCc2ccccc2Br)c(Br)c1 247651410 NKTSWTIAVPPKBH-UHFFFAOYSA-N 445.936 5.425 30 10 IKEE CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1C=NNC(=S)Nc1ccccc1 254702698 YVOJZXNZYHUZQJ-UHFFFAOYSA-N 427.574 5.034 30 10 IKEE CCSc1nnc(C(F)F)n1N=Cc1ccc(COc2cc(Cl)ccc2Cl)o1 254899053 UWDBWOSDYGRQCE-UHFFFAOYSA-N 447.294 5.689 30 10 IKEE COc1ccc(N=C(N2CCCCC2)[P@](=O)(N2CCCCC2)N(C(C)C)C(C)C)cc1 263621578 CVZBIJNKNBIRMM-HKBQPEDESA-N 448.592 5.966 30 10 IKEE N#CC1(c2cccc(OCc3ccccc3)c2)CCN(C(=O)OCc2ccccc2)CC1 383423110 QKJASNUBAOWJLD-UHFFFAOYSA-N 426.516 5.460 30 10 IKEE CCOc1ccc([C@@H]2C(c3cccc(OCC)c3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526490266 VCVICKQDSZBZGX-RUZDIDTESA-N 440.499 5.413 30 10 IKEE CCOc1cc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(F)cc2)ccc1OC 526605286 VHDDTAFFRKBKMM-DEOSSOPVSA-N 444.462 5.162 30 10 IKEE Cc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccc(Cl)c2Cl)cc1 526609252 TUKIJZNMILMLQS-JOCHJYFZSA-N 435.310 6.231 30 10 IKEE Cc1ccc(SC2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccccc3Cl)C2=O)cc1 526662472 AYZJSNXATVOVOC-UHFFFAOYSA-N 445.931 5.509 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(F)ccc2F)cc1 526711129 XVDNPBKNYILQCH-QHCPKHFHSA-N 449.453 5.537 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1c(C)n(C)c2ccccc12 526822235 HLRRHAYIEGQGRW-YUMHPJSZSA-N 442.592 5.467 30 10 IKEE C=C(C)CN(c1ccc(Br)c(C)c1)S(=O)(=O)c1cc(Cl)ccc1OC 586259141 YJFQHDVZYHHZSL-UHFFFAOYSA-N 444.778 5.191 30 10 IKEE CCCCCCCCCC[C@H](NC)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 702454677 ZDDXEPGGVTYWQJ-DQEYMECFSA-N 447.708 6.131 30 10 IKEE CC[C@H](C)NC(=S)/C(=C(/O)c1ccc(C#N)cc1)[n+]1ccc(Cc2ccccc2)cc1 762440458 MTMNQBIPSMIEII-IBGZPJMESA-O 428.581 5.036 30 10 IKEE C[C@H](CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C)C(=O)O 888085967 ODKUOSVRZSFRNA-NVXBXWFYSA-N 430.629 5.632 30 10 IKEE CC(C)(C)NC(=O)CSc1nc2ccc(N=Cc3c(O)ccc4ccccc34)cc2s1 1084172038 LTDSHSCIAZIJKG-UHFFFAOYSA-N 449.601 5.913 30 10 IKEE O=C1NC(=NN=Cc2ccco2)S/C1=C\c1ccc(-c2cc(Cl)cc(Cl)c2)o1 1772724046 CRDCGMBGLIAIAQ-YCAQWGOISA-N 432.288 5.440 30 10 IKEE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNc2ccc(F)cc2)CCC3)cc1Cl 1772749355 LUPTVGXPRGHQIW-UHFFFAOYSA-N 425.891 6.094 30 10 IKEE S=C(N/N=C\c1cn(-c2ccccc2Cl)nc1-c1ccccc1)Nc1ccccc1 1857810626 BIKVLCPPXXENFC-MYYYXRDXSA-N 431.952 5.513 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc3c(OC(=O)Cc4c(F)cccc4F)cccc23)c1 1858929783 CBJWNFKFDJUPEC-UHFFFAOYSA-N 442.421 5.390 30 10 IKEE CC[C@@H](C)N(C(=O)c1cc(F)ccc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1859899668 SASMETBRMAWYIR-SNVBAGLBSA-N 425.319 6.448 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)c1c(Cl)ccc(Cl)c1Cl 1861145939 YFTFNFQIYTWCCI-KRWDZBQOSA-N 449.850 6.412 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cccc(OCC)c1 1861342554 JUQLTEFTPROZGC-DEOSSOPVSA-N 442.575 5.042 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCc2ccc(F)cc2)cc1 1862429553 PPVCUSHJQQALGR-QHCPKHFHSA-N 449.909 5.609 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1CCc1ccccc1 1862441850 DIQRPZYVXKXLBX-QHCPKHFHSA-N 431.919 5.469 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc([N+](=O)[O-])c1 1862448011 DAQFARPCIIZBLL-HXUWFJFHSA-N 442.899 5.407 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccccc1F)c1c(F)cc(F)cc1F 1862457344 NFEWPBNGBLIOBJ-NRFANRHFSA-N 447.428 5.544 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccccc1F 1862468629 SSGAGXLVSQWZKU-LJQANCHMSA-N 446.316 5.213 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2cccc(F)c2)c1 1862489526 XEVXVTIJFUQETD-QHCPKHFHSA-N 433.454 5.360 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2ccc(Cl)cc2Cl)cc1 1862538252 FAZNFELXIPKKKQ-RBZFPXEDSA-N 432.347 5.933 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862562132 YLZGMDKYIOXFAC-BSDZUQITSA-N 446.591 5.723 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2ccccc2F)cc1 1862663306 RFVYOKXJHSLVBA-HSZRJFAPSA-N 449.547 5.832 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc(OCc2ccccc2)c1 1862685160 PLIUOFNYBMFLTC-DEOSSOPVSA-N 445.490 5.393 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc(F)c1 1862687557 MQCGUNDNTBWIAY-NFBKMPQASA-N 439.527 5.772 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1c(F)cccc1Cl 1862692260 ILEIBQAOQZBTGE-NRFANRHFSA-N 445.918 5.646 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccc2ccccc12 1862727581 ICWIJXXSQATXAP-MHZLTWQESA-N 445.518 6.271 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862737441 XEKIUKZNXCHCDJ-QFIPXVFZSA-N 434.492 5.204 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccc2ccccc12 1862756216 JVPONUFHRDRJTD-OYHNWAKOSA-N 430.460 5.125 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Nc3ccccc3)cc2)=C(c2ccccc2Cl)C1=O 1863444475 PKHKXZPCOAFHGG-UHFFFAOYSA-N 429.907 5.462 30 10 IKEE CCc1nc(Nc2cccc(C#N)c2)cc(N2CCC(Cc3ccc([N+](=O)[O-])cc3)CC2)n1 1868268722 UKBFFMISXWGZIL-UHFFFAOYSA-N 442.523 5.022 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3cc4cc(C)ccc4nc32)nc(-c2ccc(C)cc2)n1 1869150994 UIWBACDHKWVLAS-UHFFFAOYSA-N 447.586 6.181 30 10 IKEE N#Cc1nnn(-c2ccc(Oc3ccccc3)cc2)c1NC(=O)/C=C\c1ccc(Cl)cc1 1870140722 GPVWMFGPIHPXFJ-NVNXTCNLSA-N 441.878 5.237 30 10 IKEE CCCCCCCCCCn1cc(OCc2ccccc2F)c(=O)cc1CSCC 1870231365 RTRKPFRUCMQUJD-UHFFFAOYSA-N 433.633 6.960 30 10 IKEE C=CCn1cc(OCCCOc2cccc(C)c2)c(=O)cc1CN(CCC)CCCC 1870780052 HRWYPULGQWIYOO-UHFFFAOYSA-N 426.601 5.203 30 10 IKEE CCc1ccc([C@H](C)N2COc3c(cc4c(c3C)O/C(=C\c3ccc(C)cc3)C4=O)C2)cc1 1871359971 MVKXTWREIKZHIN-ANRZFROFSA-N 439.555 6.395 30 10 IKEE Cc1c(OC(=O)/C=C/c2ccco2)ccc2c1O/C(=C\c1cn(C)c3ccccc13)C2=O 1871369743 WHFYGJCSEAYJMX-FDTILGBMSA-N 425.440 5.315 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3cc(OC(=O)CCCOc4ccccc4)ccc3C2=O)cc1 1871371080 JLNAZEJLPMQNMR-ONUIUJJFSA-N 442.511 6.191 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OC(=O)c3cc(Cl)ccc3Cl)c2C)C1=O 1871380781 AYNOBMQZDRUYPC-NHDPSOOVSA-N 439.294 6.446 30 10 IKEE CCCN(CCC)Cc1c(O)ccc2c1O/C(=C\c1ccc(Br)cc1)C2=O 1871394063 AWVKEAMOYLBICD-MOSHPQCFSA-N 430.342 5.393 30 10 IKEE CCn1cc(/C=C2\Oc3c(ccc(O[C@H](C)C(=O)OC(C)C)c3C)C2=O)c2ccccc21 1871400904 OGSWMHYEENPHJD-SUVVMJBMSA-N 433.504 5.305 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCCOc4ccc(C)cc4)ccc3C2=O)cc1OC 1871405985 OTBWOBOBXGCMTE-MYYYXRDXSA-N 432.472 5.086 30 10 IKEE Cc1cccc(OCCCOc2cc(C)c3c(c2)O/C(=C\c2ccccc2Cl)C3=O)c1 1871407241 ZVUDLNSRYFRZCF-IWIPYMOSSA-N 434.919 6.421 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCc4ccc(C#N)cc4)cc(C)c3C2=O)cc1OC 1871417829 SOTGLYZDRJQAAP-MSXFZWOLSA-N 427.456 5.079 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2sccc2C)C3=O)c(C)c1 1871419001 YOIHJUKMBWFYSQ-MTJSOVHGSA-N 433.529 5.615 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cccc(Cl)c1C)C(C)C)S(=O)(=O)c1ccc(C)cc1 1872422693 IIKJMWGSRZNNMP-QFIPXVFZSA-N 449.016 5.187 30 10 IKEE CCc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 1872772815 HXBUEFYUPGSOLG-HSZRJFAPSA-N 446.616 6.705 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(Cl)c(Cl)c3)n2)cc1F 1872775394 PHYOYCCQHNKRAU-ZRFDWSJLSA-N 447.318 6.154 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc4ccccc34)n2)c(OCC)c1 1872783466 AGLHNQCFTNCRFW-JOCHJYFZSA-N 442.540 6.251 30 10 IKEE CCCCC1CCC(C(=O)[C@@H](C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)CC1 1872785665 SFYXFELTOBMWOG-YABDQXBESA-N 436.665 7.589 30 10 IKEE CCCOc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)cc1 1872787335 HNRPZEQJFPAQCP-OAQYLSRUSA-N 434.561 5.643 30 10 IKEE CCCCCCCCNC(=O)c1ccc2nc(COc3cc(Cl)ccc3Cl)[nH]c2c1 1872808228 UWUZDAAPVUPVBZ-UHFFFAOYSA-N 448.394 6.539 30 10 IKEE C=CCc1ccccc1OCc1cccc(C(=O)N2CCN(c3ccccc3F)CC2)c1 1872846533 HWAXDZPLNKJLMH-UHFFFAOYSA-N 430.523 5.096 30 10 IKEE N#Cc1nc([C@H]2C[C@@H]2c2ccccc2)oc1N/N=C/c1ccc(OCc2ccccc2)cc1 1873470531 KEOARFBJLHBNLJ-PKTLLNGUSA-N 434.499 5.842 30 10 IKEE Cc1ccc(COc2ccccc2/C=N/Nc2oc([C@H]3C[C@H]3c3ccccc3)nc2C#N)cc1 1873470663 OFEYFVLQLXDRNJ-VYFBRPNZSA-N 448.526 6.151 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(COc3cc(F)ccc3F)nnc2SC)cc1 1874259883 XJFKSJCGQNSZFD-AFUMVMLFSA-N 446.523 5.308 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2/N=C/c2ccc(O)c([N+](=O)[O-])c2)CC1 1874287424 DTLKDBOHJLOBNN-HZHRSRAPSA-N 445.589 5.740 30 10 IKEE COc1ccc(CCc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccccc2)cc1 1874306320 QRLGPTIBYKVCRE-WPWMEQJKSA-N 446.551 5.386 30 10 IKEE CCSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1ccc(N(CC)CC)cc1 1874320301 KLVPZJLRQVQAKQ-PCLIKHOPSA-N 437.613 5.314 30 10 IKEE Cc1ccc(OCc2nnc(SCCc3ccccc3)n2/N=C/c2ccccc2)cc1C 1874321082 YWOXNPGGDMKFGN-OVVQPSECSA-N 442.588 5.691 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1cc(Cl)ccc1O 1874329919 HKLKXCZHEIDNCA-DHRITJCHSA-N 441.000 5.590 30 10 IKEE Clc1cccc(CSc2nnc(CCOc3ccccc3)n2/N=C/c2ccc[nH]2)c1 1874347294 GVDAPZSMLILQFR-MFKUBSTISA-N 437.956 5.056 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2)n1/N=C/c1ccc(Cl)cc1 1874395710 TVWUDKRFFFFGIN-CVLFLDGLSA-N 432.980 6.258 30 10 IKEE Clc1ccc(CSc2nnc(Cc3cccs3)n2/N=C/c2ccc[nH]2)c(Cl)c1 1874414207 GYXOHCNDBSJHJF-FOKLQQMPSA-N 448.404 5.740 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(-c2cccs2)n1/N=C/c1ccccc1 1874425547 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COc1cc(Cl)cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c1OCCc1ccccc1 1874582910 NFTIARYAMMMNJL-NTCAYCPXSA-N 448.990 7.164 30 10 IKEE COc1cc(Br)cc(/C=C/C(=O)c2c(C)cc(C)cc2C)c1OCCCO 1874590128 UNPSKYOKYXXPKF-VOTSOKGWSA-N 433.342 5.040 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCCc1ccccc1)c1cc(Cl)ccc1Cl 1874591541 QAFIPGCFBVWINW-UXBLZVDNSA-N 431.746 7.164 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3cc(C)ccc3C)c2)cc1 1874593742 ZNJBDTNVLUQXJD-SAPNQHFASA-N 441.571 6.560 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3ccccc3C)c2)cc1 1874595291 CUTRKANOLVGHAE-OQLLNIDSSA-N 445.515 5.316 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)NC3CCCCC3)c(Cl)c2)cc1C 1874606981 PYLFJWDHCHSGBM-DHZHZOJOSA-N 441.955 5.381 30 10 IKEE CCCOc1c(Br)cc(/C=C/C(=O)c2ccc(C)cc2)cc1Br 1874616278 QVSAOLBWTVZJKE-RMKNXTFCSA-N 438.159 6.205 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3cc(C)ccc3C)c2)cc1 1874694057 JMILIOGZUJGTQH-GXDHUFHOSA-N 428.528 5.919 30 10 IKEE COc1cccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(C(F)(F)F)cc3)c2)c1 1874695041 IDUZUESFLAZZJB-MDWZMJQESA-N 426.390 5.829 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2)cc1 1874696624 JCXIMCASXHHXJZ-UUILKARUSA-N 447.443 5.036 30 10 IKEE CCCC(=O)Oc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)c(Br)cc1OC 1874716164 DWQNOPZVMSBAJJ-CMDGGOBGSA-N 445.353 5.985 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(Br)c(O)c(OC)c2)cc1OCCC 1874719290 UDYOSJCLALTGDT-SOFGYWHQSA-N 449.341 5.637 30 10 IKEE CCCCCCCCC(=O)N1[C@H](C)CSc2nnc(C3CCC(CCCC)CC3)n21 1875051242 QIFVXFLGXBSNOD-QNGMFEMESA-N 434.694 6.452 30 10 IKEE CC(C)(C)C(=O)Oc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-] 1875078718 ZHMVURFNDDUXMC-OQLLNIDSSA-N 429.472 6.109 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2Cl)cc(OC)c1OC(=O)CCCCCC 1875110459 MCKFINKVMPEGGG-FOCLMDBBSA-N 440.967 6.849 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)c1ccccc1C 1875142828 VYQOPLLVRVREDZ-SDNWHVSQSA-N 444.502 6.295 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2[N+](=O)[O-])cc1 1875151137 WPBSGXLWVIYFJA-BJMVGYQFSA-N 445.427 5.001 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(OC)c1OC(=O)c1ccncc1 1875154782 WEVUOSHDWIYYQT-OUKQBFOZSA-N 449.506 6.087 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc(OC)c1OC(=O)c1ccco1 1875166758 RRMOKJXMFPFFQN-ZRDIBKRKSA-N 446.499 5.757 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)c3ccccc3)c([N+](=O)[O-])c2)cc1C 1875174781 IFUSZAAVBHDVIB-YFPIXMDGSA-N 429.472 5.817 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(C)c3)cc2)c(OCC)c1 1875178141 VTMDBLLIJCDZFH-LFIBNONCSA-N 430.500 5.908 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc([N+](=O)[O-])c1OC(=O)CC 1875190954 TYJFHQAYIJDBEN-VMPITWQZSA-N 438.263 5.512 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)ccc1OC(=O)C1CCCC1 1875193394 IDQMXJVGAAWFFS-DHZHZOJOSA-N 428.912 5.739 30 10 IKEE C=CCCC(=O)NCCSc1c(-c2ccc(Br)cc2)[nH]c2ccccc12 1891494338 BJEHAKDMTNWTEX-UHFFFAOYSA-N 429.383 5.772 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CCC[C@]2(C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)C1 1918328626 FMIXAAIVQMZOHL-HSZRJFAPSA-N 447.601 5.169 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 1944698081 ODIJUTSQTALYAZ-QFBILLFUSA-N 449.979 5.621 30 10 IKEE C=C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)([C@@H](C(=O)O)C1CC1)C(C)(C)C 1957759547 ZYSGKGAIEVGZCM-KCWPFWIISA-N 433.548 5.607 30 10 IKEE C=CCCC[C@H](NCCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997468959 KMIIQONQDVCZPK-JYFHCDHNSA-N 430.633 5.555 30 10 IKEE CCCCCCCC[C@@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 2035465882 XAJIHPUCKHOCHR-DQEYMECFSA-N 448.692 6.605 30 10 IKEE CC(=O)N(c1nc(C=C2CCOc3ccc(F)cc3C2=O)cs1)c1cccc(C)c1C 2040500865 PNTAYGHCAUIKAC-UHFFFAOYSA-N 436.508 5.632 30 10 IKEE CCCN[C@]1(C#N)CC[C@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)[C@@H]1CC 2058736624 CUADHCYNFUNCNU-KCHLEUMXSA-N 432.656 5.071 30 10 IKEE CC[C@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1OC 2067962085 FFVCUGFDYLCUHS-NTKDMRAZSA-N 445.560 5.118 30 10 IKEE Cc1cc(C)c([C@H](n2nc(C(C)C)c(C#N)c2I)C(C)(C)C)c(C)c1 2079998429 QUDUBCVBZWEGSP-IBGZPJMESA-N 449.380 6.044 30 10 IKEE O=c1oc2ccccc2c(Cl)c1/C=N/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2080385390 DYPYOEPTHQTRNF-MWRNPHMMSA-N 434.723 5.930 30 10 IKEE COc1ccc(Br)c(-c2c(C3CCCCC3)nn3c(Cl)c(C#N)cnc23)c1 2081423247 AZQYSDUYKLDEOS-UHFFFAOYSA-N 445.748 5.740 30 10 IKEE CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)Nc1cc(Br)cc(F)c1C#N 2107450830 KYRGRAKURYDNHI-IBGZPJMESA-N 428.346 5.201 30 10 IKEE CCCCCCCC[C@@H](C)NC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C 2212662579 RYGVZTMMBCJYPM-GOSISDBHSA-N 429.646 5.133 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)[C@H]2CCC[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C2 2249372452 XSKDFZUIASWZDV-RSNROMBLSA-N 435.609 5.388 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCC(=O)O)c1cc(Cl)cc(Br)c1 2262199854 LWQMBPQHPKQAPU-IBGZPJMESA-N 425.706 5.018 30 10 IKEE Cc1cc(C(=O)Nc2cccc(OCc3ccccc3)c2)c(B2OC(C)(C)C(C)(C)O2)s1 2267156584 LSIQLNNAGANPDC-UHFFFAOYSA-N 449.381 5.187 30 10 IKEE C=CCN1C(=O)C(=Cc2ccccc2OCCCOc2ccc(Cl)cc2)SC1=S 2293367054 FPKPCJGNHOORCE-UHFFFAOYSA-N 445.993 5.575 30 10 IKEE COc1ccc(C=C2Oc3cc(OCc4c(F)cccc4Cl)ccc3C2=O)c(OC)c1 2296055642 SZYVKFVRUYQEGK-UHFFFAOYSA-N 440.854 5.692 30 10 IKEE COc1ccc([C@@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 2296287856 XJTAWWFWKDJFSK-JOCHJYFZSA-N 433.891 5.283 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C 2296310077 DVYFCLZXEQMKOA-RTBURBONSA-N 437.422 5.108 30 10 IKEE C=CCOc1ccc(C=C(C(=O)c2ccc(OCC)cc2)c2nc3ccccc3s2)cc1 2296729338 BEYRWXBXCGKPOC-UHFFFAOYSA-N 441.552 6.683 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(OCc4cccc(OC)c4)c3C)C2=O)c2ccccc21 2296871816 HIGJXBUSINTZNE-UHFFFAOYSA-N 439.511 6.173 30 10 IKEE C=CCN1C(=O)C(=Cc2cccc(OCCCOc3cccc(C)c3C)c2)SC1=S 2297624748 KDWORSPIJYPUDP-UHFFFAOYSA-N 439.602 5.539 30 10 IKEE C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)C(=Cc3ccc(OC(F)F)cc3)C[C@@H]12 2297736518 PXDOMWMSMCFAEF-ARTAUGFUSA-N 444.562 6.254 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C 2318878234 USTYXWTYHOBBFY-YQVWRLOYSA-N 445.560 5.022 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(C)c2)c1 2322373953 LJZBRMXCWUWMQU-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE O=C(C=Cc1cc(Br)ccc1OCc1cccc(F)c1)c1ccc(F)cc1 2322747926 JRPPADNIRFIZBS-UHFFFAOYSA-N 429.260 6.202 30 10 IKEE C=C(C)COc1ccc(Br)cc1C=CC(=O)c1ccc(Oc2ccccc2)cc1 2322807016 HKAWNOCXGXAJOJ-UHFFFAOYSA-N 449.344 7.092 30 10 IKEE Cc1cccc(NC(=O)COc2ccccc2C=CC(=O)c2cc(Cl)ccc2Cl)c1 2322999472 PLBMZUYRTWHBJN-UHFFFAOYSA-N 440.326 6.215 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1OCC(=O)NC1CCCCC1 2323188919 VZDBBCHZORLKHO-UHFFFAOYSA-N 449.591 5.717 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc1OCc1ccc(C)cc1 2323231488 DXHABUJCSJPLLO-UHFFFAOYSA-N 444.571 6.919 30 10 IKEE CCCNC(=O)COc1cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)ccc1OC 2323232477 JPLXXQDLZVORAM-UHFFFAOYSA-N 445.515 5.289 30 10 IKEE Cc1cc(OC(=O)c2cccc3ccccc23)cc2c1C(=O)C(=Cc1ccc(C(C)C)cc1)O2 2323481616 FQIQRLQSRNYKSJ-UHFFFAOYSA-N 448.518 7.107 30 10 IKEE COc1ccc(OC)c(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccs2)C3=O)c1 2323486524 GUHWPBDSNSYMDQ-UHFFFAOYSA-N 448.496 5.309 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)c3ccc(C=CC(=O)O)cc3)cc(C)c2C1=O 2323626563 JXSUQUZWIKCLMM-UHFFFAOYSA-N 440.451 5.237 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 2323676514 COWLXFNIGZXBJL-UHFFFAOYSA-N 438.823 5.632 30 10 IKEE CC(C)(Oc1ccc(Cl)cc1)C(=O)Oc1ccc2c(c1)OC(=Cc1cccs1)C2=O 2323702423 BEHBQXQWKXWQKL-UHFFFAOYSA-N 440.904 5.781 30 10 IKEE COc1cccc(C=NNc2nc(-c3ccc(C)c(C)c3)cs2)c1OCc1ccccc1 2323844175 FOVGSOKCOGGHNP-UHFFFAOYSA-N 443.572 6.461 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OCc3cccc4ccccc34)c([N+](=O)[O-])c2)ccc1F 2323972672 CYVIPCQVUWXVIR-UHFFFAOYSA-N 441.458 6.671 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(Br)c1OCCO 2324073900 VHIDLBQDBDRYRC-UHFFFAOYSA-N 447.369 5.413 30 10 IKEE COc1ccc(C=C2Oc3cc(OCCOc4cccc(C)c4)ccc3C2=O)c(OC)c1 2324522643 XBLHAAVIJFUQDM-UHFFFAOYSA-N 432.472 5.086 30 10 IKEE COC(=O)c1ccc(C=C2Oc3cc(OCCCOc4cccc(C)c4)ccc3C2=O)cc1 2324561666 MLNNGNHJIRDIJQ-UHFFFAOYSA-N 444.483 5.246 30 10 IKEE Cc1cccc(OCCCCOc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)c1 2324570306 YXDSDSVNLFAKOZ-UHFFFAOYSA-N 426.512 6.405 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OCCCCOc4cccc(C)c4)c3C)C2=O)c1 2324572458 LEJVEMKLSHQCGW-UHFFFAOYSA-N 444.527 6.166 30 10 IKEE O=C1C(=CC=Cc2ccccc2)Oc2cc(OCc3cccc(Oc4ccccc4)c3)ccc21 2325345522 BKJLLXSMBWIATC-UHFFFAOYSA-N 446.502 7.230 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3)n2N=Cc2sccc2C)c1 2325441589 JDQRZGZEXMSSSD-UHFFFAOYSA-N 432.618 5.916 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 2325733555 KGGRWUHCILOMEY-UHFFFAOYSA-N 447.443 5.117 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2cc(C)ccc2C)cc1OC(=O)C1CCC1 2325740298 RPWBVOXXSKKWGU-UHFFFAOYSA-N 443.337 5.676 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OC(=O)c1ccc(F)c(F)c1 2325741483 NKSRQMWNYCLHQA-UHFFFAOYSA-N 426.390 5.536 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OC(=O)CCOc1ccccc1 2325750418 SWUDOOSSTZWUMK-UHFFFAOYSA-N 444.527 6.089 30 10 IKEE COc1c(Cl)cc(C=Nn2c(C)nnc2SCc2ccccc2)c(OC)c1Cl 2326211791 GQRHPILQOKRZBS-UHFFFAOYSA-N 437.352 5.085 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2326417738 JUSJKPIDPCEISD-UHFFFAOYSA-N 439.541 5.026 30 10 IKEE Cc1cc(OCc2nnc(SCc3ccccc3)n2N=Cc2ccc[nH]2)ccc1Cl 2326524832 CDUNECZKIDZABO-UHFFFAOYSA-N 437.956 5.322 30 10 IKEE C=CCSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1ccccc1OCCC 2328961734 MSCCCOVLFFIADU-UHFFFAOYSA-N 434.609 5.629 30 10 IKEE C=C(C)CSc1nnc(CCOc2ccccc2)n1N=Cc1c(Cl)cccc1Cl 2329189958 CUFTYFWRBWUQNR-UHFFFAOYSA-N 447.391 5.757 30 10 IKEE Clc1ccccc1CSc1nnc(COCc2ccccc2)n1N=Cc1ccco1 2329349094 NXTHMOMZKMVRKR-UHFFFAOYSA-N 438.940 5.416 30 10 IKEE CN(C)c1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2-c2ccccc2)cc1 2330674986 ZALAATSDIJXINL-UHFFFAOYSA-N 447.995 5.839 30 10 IKEE CCc1ccc(C(=O)Oc2c(OC)cc(C=CC(=O)c3ccc(OC)cc3)cc2OC)cc1 2330959155 OEGAQIYXNBEDGZ-UHFFFAOYSA-N 446.499 5.390 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2F)c([N+](=O)[O-])c1)c1cccc(Cl)c1 2331125909 HFYAYDKTPZIUSN-UHFFFAOYSA-N 425.799 5.503 30 10 IKEE C=C(C)CSc1nnc(C(F)(F)F)n1N=Cc1ccc(OCCCC)c(OC)c1 2331136117 NBFPTKXWTCEHEL-UHFFFAOYSA-N 428.480 5.035 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C(F)(F)F)cc1 2331138420 IYAOWNPEADWXRI-UHFFFAOYSA-N 440.878 5.524 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)COCc3ccccc3)c(OC)c2)cc1 2331212981 ZQTWQYTZNCFVOJ-UHFFFAOYSA-N 446.499 5.112 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(OCC(C)C)cc3)cc2)c(C)c1 2331216157 PPQHDPJXUFEAHG-UHFFFAOYSA-N 428.528 6.454 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2)cc1[N+](=O)[O-] 2331216337 YINYCOYZNQBBIS-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3)cc2OC)c1 2331293294 STJGMKKRWPJQPE-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OCCC)cc2)cc(OC)c1OC(=O)CC(C)C 2331311067 LADNMSFOMXORNK-UHFFFAOYSA-N 436.548 6.060 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1cccc(Cl)c1 2331326022 QFYLFFZKHSPNOG-UHFFFAOYSA-N 445.951 5.026 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(CC(C)C)n2N=Cc2ccccc2C)c1 2331425277 YIQICAUPSDRUJY-UHFFFAOYSA-N 435.597 5.015 30 10 IKEE Cc1ccc(O)c(C=Nn2c(CC(C)C)nnc2SCc2ccc(Cl)c(Cl)c2)c1 2331471876 OIBRWEAEYUGTMM-UHFFFAOYSA-N 449.407 5.972 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1Cl 2331493218 JLMFEZHHCIVXIC-UHFFFAOYSA-N 448.946 6.516 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)c1cccnc1 2331562647 CDRBPEPYMILYMH-UHFFFAOYSA-N 443.833 5.527 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OC(=O)C1CCC1 2331579871 RDPYHBVGPWVICM-UHFFFAOYSA-N 436.548 6.127 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)c(C)c3)cc2)c(OC)c1 2331716814 SWGSCXQTIKLGKH-UHFFFAOYSA-N 434.463 5.196 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)cc2OC)cc(OC)c1OC(=O)C(C)(C)C 2331729209 NHSALWZNXIWEIS-UHFFFAOYSA-N 438.520 5.289 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3c(C)cc(C)cc3C)cc2Cl)cc1 2331768529 OXUMGBZOKTWGEP-UHFFFAOYSA-N 448.946 6.779 30 10 IKEE COCCC(=O)Oc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1[N+](=O)[O-] 2331794815 NYAYEGPPMHZGQN-UHFFFAOYSA-N 425.481 5.039 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)c(OC)cc2C)cc(Cl)c1OC(=O)C1CCC1 2331851777 QWTVJQNJDLURNS-UHFFFAOYSA-N 442.939 5.966 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CC3CCCCC3)cc2)c(OC)c1OC 2331885416 FHZASKXZRNFROU-UHFFFAOYSA-N 438.520 5.484 30 10 IKEE CC(C)(C)c1ccc(C=CC(=O)Nc2c(C#N)nnn2-c2ccc(C(F)(F)F)cc2)cc1 2332188986 UKCATZIPTUANDA-UHFFFAOYSA-N 439.441 5.107 30 10 IKEE N#Cc1ccc(OCc2cc(Br)cc(Br)c2)c(Br)c1 2337068464 BCMDTPAXUGYVFB-UHFFFAOYSA-N 445.936 5.425 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Cl)cc(Br)c1F 2337111381 KZGDKMKYNQEGAC-NVXWUHKLSA-N 449.792 5.752 30 10 IKEE CC(C)=C(CN1CCC[C@]2(CCCN(Cc3ccccc3)C2)C1)B1OC(C)(C)C(C)(C)O1 2340328400 LSQUAVMQAHGAAN-MHZLTWQESA-N 438.465 5.332 30 10 IKEE C[C@H](Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)c1cc(Br)cs1 2365120593 INFIVYMJGFQMEZ-XEHSLEBBSA-N 435.196 5.723 30 10 IKEE COc1cc(/C=N/n2c(C(C)C)n[nH]c2=S)ccc1OCc1c(F)cccc1Cl 1807366 TWVAZBYEPPHGJF-AUEPDCJTSA-N 434.924 5.326 30 10 IKEE O=C(Oc1cc(Cl)ccc1Cl)c1ccc(/C=N/c2ccc3c4c(cccc24)CC3)cc1 4480612 XPXAAQSWROTXDO-WKULSOCRSA-N 446.333 7.215 30 10 IKEE CC(C)Oc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)c(Cl)c2)cc1 21252086 YYVXDKJUOYZTBC-FUHWJXTLSA-N 444.358 5.785 30 10 IKEE Cc1ccc(C(=O)/N=C(\NCCc2c(C)nn(C)c2C)Nc2ccc(C(C)C)cc2)cc1F 32973618 JZLMWNVSGVBPSE-UHFFFAOYSA-N 449.574 5.048 30 10 IKEE COc1ccc(C(=O)/C=C\c2ccc(OC)c(OC)c2)c(OC(=O)c2ccccc2C)c1 33442391 HVBYFMWZBMYFSC-LCYFTJDESA-N 432.472 5.136 30 10 IKEE COc1ccc(OC)c(/C=C/C(=O)c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 34955187 VFIWSCFGMFLOAX-MHWRWJLKSA-N 444.527 6.117 30 10 IKEE C=CCN1C(=O)c2[nH]nc(-c3c(C)cc(C)cc3O)c2[C@@H]1c1cccc(OCCC(C)C)c1 38705749 ONBCYRYVTLNTDK-SANMLTNESA-N 445.563 5.555 30 10 IKEE Cc1cc(C)cc(-n2c(C)cc3c2CC(C)(C)C/C3=N\OC(=O)c2cccc([N+](=O)[O-])c2)c1 39853177 ALPVXCNDSVCJJV-SLEBQGDGSA-N 445.519 5.844 30 10 IKEE C/C(=C1/S/C(=N/c2cccc(C)n2)N(c2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1 39863592 HWLMVDDQFSNUCF-REHDBGDWSA-N 430.489 5.497 30 10 IKEE C=CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccc(F)cc2)cc1 39879466 UFTYCUTWSKJYAU-DEOSSOPVSA-N 441.458 5.555 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1cn(C)c4ccccc14)O3)CN(Cc1cccs1)CO2 41650574 KHQONFCRLBKTSN-KSEXSDGBSA-N 442.540 5.517 30 10 IKEE COc1ccc(-c2nc(SC)nc(Nc3cc(Cl)cc(Cl)c3)c2C#N)cc1OC 62039753 YVIGSBGNOCVBFB-UHFFFAOYSA-N 447.347 5.805 30 10 IKEE CCCCCCn1c2ccccc2c2nnc(N/N=C/c3ccc(OCC)c(OC)c3)nc21 64981349 YKBIZSWAANPJQL-YZSQISJMSA-N 446.555 5.413 30 10 IKEE Cc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1-c1ccc(C#N)cn1 90567520 AAQFMGLCMDYAOZ-UHFFFAOYSA-N 426.523 5.965 30 10 IKEE COc1ccc(NC(=O)N2CCC[C@@]3(C2)Nc2ccccc2N/C3=N\C(C)(C)C)c(C)c1 97124085 BUIZYUCQGSGQRQ-VWLOTQADSA-N 435.572 5.105 30 10 IKEE CC(=O)N(c1nc(/C=C\C(=O)c2ccc3c(c2)OCCO3)cs1)c1cccc(C)c1C 98000610 BPIGDRHWRNNCJS-HJWRWDBZSA-N 434.517 5.112 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)c1ccc(C)c(Br)c1 100061263 YKOKAMFQKRGPAG-UHFFFAOYSA-N 438.494 7.969 30 10 IKEE COc1cc(Br)cc(/C=N/c2ccccc2OCC(F)(F)C(F)F)c1O 100296810 SWDUAHDRMZWJLB-LIMNOBDPSA-N 436.199 5.193 30 10 IKEE Cc1cccc(CN2c3ccccc3C(=O)/C(=C/Nc3cc(C)cc(C)c3)S2(=O)=O)c1 104402300 HKSARGOBRDVUGW-IWIPYMOSSA-N 432.545 5.098 30 10 IKEE CCCCCCCCCCCCCCCCNC(=S)NC(=O)/C=C\C(=O)OCC 106112742 DFVJCVMLEOEODS-HNENSFHCSA-N 426.667 5.578 30 10 IKEE N#CCCCOc1cccc(NC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)c1 108296611 BTKBXLCMOFZIJO-UHFFFAOYSA-N 447.560 5.187 30 10 IKEE CCCCCCOc1c(OC)cc(/C=N\n2c(S)nnc2C(CC)CC)cc1[N+](=O)[O-] 169910332 WZUPHKVFVIMXBP-HMAPJEAMSA-N 449.577 5.229 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@H]2c2ccncc2)cc1C 170021813 XICDUIYAKDJBND-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2ccc(C)cc2)=C(N(C)c2ccccc2)C1=O 170076986 UNQOMSIYAYFBHE-UHFFFAOYSA-N 432.608 6.352 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(OCCC)cc2)=C(N(C)c2ccccc2)C1=O 170089273 GBPHLLSJXPJHBP-UHFFFAOYSA-N 448.607 6.052 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccco2)c1 170089523 MNRRUMVFUGQVLP-HSZRJFAPSA-N 442.471 5.333 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2ccco2)cc1Cl 170092146 YONZMJXSZGUZAG-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2cccs2)c(C)c1 170160643 BSHWEUSNQPHQHV-HSZRJFAPSA-N 447.556 5.935 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(OC)ccc3Cl)[C@@H]2c2ccccn2)cc1 170170971 BNHHZRFCTWZQMQ-QFIPXVFZSA-N 448.906 5.089 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2F)cc1Cl 170253525 HKVFHZSVCJCJJQ-HXUWFJFHSA-N 429.875 5.009 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccc(C)o1 170298854 BRYZXDXDBZIPPG-FQEVSTJZSA-N 441.842 5.172 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccc(F)c(F)c2)o1 170299322 HULOISDUYDAMIR-NRFANRHFSA-N 435.382 5.395 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccc(C)o2)cc1 170301493 JPYSDGINWXRGJF-XMMPIXPASA-N 439.467 5.533 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccc(C)o2)c1 170303379 OHNPXHJEVSNWFY-OAQYLSRUSA-N 437.879 5.423 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCC)c1 170323641 ABLKEMQULWZHCS-QHCPKHFHSA-N 437.536 5.251 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(O)c(Cl)c2)cc1 170368062 QQBKKJYPNLACEC-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccco2)=C(O)C(=O)N1c1ccc(Cl)c(Cl)c1 170397704 QJOJUSJTDGPQDM-IBGZPJMESA-N 428.271 5.678 30 10 IKEE CCOc1cccc(CN2C(=O)C(O)=C(C(=O)C(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)c1 170471933 FWJLIZSJGORIHE-HSZRJFAPSA-N 435.564 5.504 30 10 IKEE O=C(/C=N/c1ccc(I)cc1)c1ccc2ccc3ccccc3c2c1 206689089 AUSIQAFFJLHUHR-ZVHZXABRSA-N 435.264 6.183 30 10 IKEE CC(C)(C)c1ccc(/C=C2\S/C(=N\N=C/c3ccccc3)N(Cc3ccco3)C2=O)cc1 210512362 RGSJONOTLGJETO-QLPPCVCKSA-N 443.572 6.084 30 10 IKEE CCCOc1cc(/C=N\n2c(CC)nnc2SCc2ccccc2Cl)ccc1OC 526817197 WNQAAGURHFTEDB-OYKKKHCWSA-N 444.988 5.466 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccc(OCC)cc1 526817263 YSMGTMKQCODJOH-IWIPYMOSSA-N 428.989 5.847 30 10 IKEE Cc1ccccc1N(C(=O)c1cccc(C#N)c1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586295893 ZGJGRCCKXPARLT-UHFFFAOYSA-N 432.545 5.200 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@H](C#N)c1ccc(F)cc1Br 698834332 WYUONVYFBGZDHU-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE C[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)CCN1C(=O)OC(C)(C)C 698881198 HQBVWQZWGOADPS-MHECFPHRSA-N 435.609 5.628 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@H](C#N)CN(C(=O)OC(C)(C)C)C(C)(C)C 698907951 DSTVEGYQDKBKQO-MRXNPFEDSA-N 437.606 5.413 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)C1CCCCCC1)C2 709472778 WDRCEYWLUBORRH-JVFUWBCBSA-N 447.620 5.628 30 10 IKEE O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)COc2ccc(Cl)cc21 725328810 SNLGGVHNWDGUQS-LDADJPATSA-N 430.866 5.991 30 10 IKEE O=C(/C=C\c1c(Cl)nc(Cl)n1-c1ccccc1)c1ccc(C(F)(F)F)nc1O 731562376 AXDAHRYEEMHTLX-FPLPWBNLSA-N 428.197 5.195 30 10 IKEE Fc1ccc(C=NNc2nc(-c3ccc(Br)cc3)cc(C(F)F)n2)s1 1081014309 BRQQZQGYTSCQGG-UHFFFAOYSA-N 427.249 5.490 30 10 IKEE COc1ccc(-c2ccc(/C=C3\SC(=Nc4ccc(C)c(C)c4)NC3=O)o2)c([N+](=O)[O-])c1 1084135018 CXXWTMGQLBTFBX-MTJSOVHGSA-N 449.488 5.372 30 10 IKEE CCc1ccc(N=C2S/C(=C/c3cc(C)n(C)c3C)C(=O)N2c2ccc(CC)cc2)cc1 1084170612 DZUJESVBVWKNDO-UYJNXHFOSA-N 443.616 6.575 30 10 IKEE Cc1cc(C)c(C(CSc2nc3ccccc3[nH]2)=NNc2ccc([N+](=O)[O-])cc2)cc1C 1084427088 RTJLDGOYXBULPN-UHFFFAOYSA-N 445.548 6.005 30 10 IKEE COc1cccc(-c2nn(-c3cccc(C)c3)cc2/C=N\NC(=S)Nc2ccccc2)c1 1857809983 KSGVSXUFSLTBIT-QQXSKIMKSA-N 441.560 5.177 30 10 IKEE C=CCN(CC=C)C(=O)Oc1cccc2c(NC(=O)CCc3ccc(C)cc3)cccc12 1858949690 CJVZWYKKSFDMEW-UHFFFAOYSA-N 428.532 5.892 30 10 IKEE N#Cc1cccc(C(=O)NCc2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)cc2)c1 1859036565 LXRZOCLUVKKGFN-UHFFFAOYSA-N 425.271 5.014 30 10 IKEE CC(C)(C)c1csc(NC(=O)[C@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)c1C#N 1860652667 JZGICYPDEJCJGH-HNNXBMFYSA-N 429.973 5.062 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1C 1861035644 LHNIHIGNYGBZOX-VWLOTQADSA-N 438.612 5.299 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)c1ccccc1C(F)(F)F)[C@H](C)CC 1861049522 XMILMOGZEIPNGM-NQIIRXRSSA-N 442.566 6.107 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1F 1862417720 YJGMMQONTOOBQZ-FQEVSTJZSA-N 431.866 5.529 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(O)cc1 1862443573 QBYOOFSPRKFMQI-YFZFPPMRSA-N 425.912 5.203 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCc3ccccc3)[C@H]2c2ccccc2F)cc1 1862474491 ORQVLMDDEVXJQH-VWLOTQADSA-N 443.518 5.735 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@@H]2c2ccc(O)cc2)cc1 1862474690 RUKHOWVLKBSBGJ-JOCHJYFZSA-N 433.891 5.133 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)cc1 1862476135 CMOXBUOAOZNSHC-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(Cl)c(Cl)c1 1862498420 ICLYCUZANWYAID-FQEVSTJZSA-N 432.347 5.989 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@@H]2c2cccc(F)c2)cc1 1862530186 NUANVGNELVFPOH-XMMPIXPASA-N 445.490 5.175 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)cc1 1862543704 NBSRJCIWICRTRQ-YQIFXUADSA-N 443.587 6.031 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C(C)C)c1 1862623107 QTWNMQOMMPAWNN-QHCPKHFHSA-N 435.564 5.760 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(O)cc1 1862649823 HLKZWETZWXAEOF-HFJWLAOPSA-N 449.506 5.885 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862656987 RNVCNAGUAQKRFT-OAQYLSRUSA-N 448.862 5.166 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2ccccc2)cc1 1862659954 GWONTGONYQEZIB-AREMUKBSSA-N 439.555 6.021 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862669866 HIHBAJHEPWTWTK-FQEVSTJZSA-N 442.899 5.360 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(C)cc2)cc1 1862675018 ZUCREZWTOOAHLV-DEOSSOPVSA-N 429.491 5.264 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862691102 YFKROGKHFZDDNQ-FQEVSTJZSA-N 448.346 5.771 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccccc3Cl)C2=O)c1 1863033359 KRUKDKNVNDINIX-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(SC)c2)=C(c2cccs2)C1=O 1863484362 MOFZBHXSTOGBPT-UHFFFAOYSA-N 428.623 6.023 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2C#N)=C(c2c[nH]c3ccccc23)C1=O 1863501794 XVESPTRNPMZGPM-UHFFFAOYSA-N 440.547 5.592 30 10 IKEE CCCCCCCCNC1=C(c2cccc3ccccc23)C(=O)N(Cc2ccccn2)C1=O 1863576331 GIRQHJJGHBVWGH-UHFFFAOYSA-N 441.575 5.465 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1nc2cc(OC)ccc2s1 1866032346 JXNNIHMBZFPMQC-UHFFFAOYSA-N 446.701 8.505 30 10 IKEE CCCCCCCCC(=O)N1CC(Oc2ccc(C(=O)Nc3ccccc3OC)cc2)C1 1869902823 GVLJPRXZNCGUQS-UHFFFAOYSA-N 438.568 5.288 30 10 IKEE CCn1cc(OCc2ccccc2F)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870231512 GUMQMJQFHYGRMG-UHFFFAOYSA-N 437.540 5.071 30 10 IKEE CCCCCCCOc1cn(C[C@H](C)O)c(CN(CCCC)CCCCCC)cc1=O 1870412647 FUWPOLKBXPACMZ-QHCPKHFHSA-N 436.681 5.761 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2)c(CNc2ccc3nc[nH]c3c2)cc1=O 1870833439 IYQSULIYKCIHPZ-UHFFFAOYSA-N 444.579 5.734 30 10 IKEE CCCCCCCCCCn1cc(OC)c(=O)cc1CNc1ccc(C(F)(F)F)cc1 1871000181 PHZVJJGZIHBHRM-UHFFFAOYSA-N 438.534 6.629 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(F)cc1)O3)CN(CCc1ccc(Cl)cc1)CO2 1871344746 UEUMWVIRJDXURJ-QRVIBDJDSA-N 449.909 5.798 30 10 IKEE Cc1ccc(CCN2COc3cc(C)c4c(c3C2)O/C(=C\c2cccc(Cl)c2)C4=O)cc1 1871348158 VIDFZWUSVFAZGP-OYKKKHCWSA-N 445.946 5.968 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3C)ccc2C1=O 1871372312 KDGRWUYJCXTZLH-QRVIBDJDSA-N 445.427 5.137 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccnc2)C3=O)c(OCC)c1 1871386826 PDYCPINJBHVORF-QRVIBDJDSA-N 445.471 5.023 30 10 IKEE Cc1c(OC(=O)c2ccc(OC(C)C)cc2)ccc2c1O/C(=C\c1ccccc1Cl)C2=O 1871387910 DUHLELHSYRHNEJ-UCQKPKSFSA-N 448.902 6.271 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(O[C@H](C)C(=O)Nc4ccccc4)c3C)C2=O)cc1 1871406556 SXFYWQBPTIVBMV-GJQHCVRFSA-N 427.500 5.580 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2)C3=O)c1 1871412519 UNWPYFSHGPIWGK-QCYAWUEASA-N 427.500 5.634 30 10 IKEE O=C1/C(=C/c2ccccc2Cl)Oc2cc(OC(c3ccccc3)c3ccccc3)ccc21 1871430666 NUNSEDITQFZWLG-ONUIUJJFSA-N 438.910 7.125 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(CCCC)cc2)[nH]c(N2CCCCC2)n1 1871502710 UORYKRPJHBTOLR-UHFFFAOYSA-N 438.664 6.142 30 10 IKEE C=CCN([C@H](C(=O)Nc1cc(C)cc(C)c1)C(C)C)S(=O)(=O)c1c(C)cc(C)cc1C 1871986215 WORPPMYKPSSEST-QHCPKHFHSA-N 442.625 5.069 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1cc(C)ccc1C 1872230205 OFXAOJSJCMGDSI-OAQYLSRUSA-N 449.016 5.331 30 10 IKEE C=CCN([C@@H](CCC)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872444556 IRDMIJSTZJTOKX-DEOSSOPVSA-N 442.625 5.411 30 10 IKEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)c(C)c1 1872498918 FQBKWTYJCFHJJT-JOCHJYFZSA-N 449.016 5.249 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1 1872765706 VGILTOPCCUHSJW-QGZVFWFLSA-N 439.924 6.204 30 10 IKEE N#C[C@H](C(=O)CCCOc1ccccc1Cl)c1nc(-c2c[nH]c3ccccc23)cs1 1872777452 OCOBNJWSWAYHHG-MRXNPFEDSA-N 435.936 5.980 30 10 IKEE CCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1 1872783867 JTOJZYKJQJIAGL-QGZVFWFLSA-N 426.925 5.669 30 10 IKEE Cc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)c(C)c1 1872785743 VDZSHKBAFPGWTL-OAQYLSRUSA-N 432.589 6.288 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@H](C#N)C(=O)CCCOc2ccccc2)n1 1872789024 WSQYLZIWENAIIJ-GOSISDBHSA-N 426.925 5.508 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccncc2)=C(c2cccc(OC)c2)C1=O 1873043019 ZEAUCQDAXAUFLC-UHFFFAOYSA-N 449.595 5.101 30 10 IKEE CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1sccc1C 1874202690 PBQFLVIYUUKLON-YDZHTSKRSA-N 428.627 5.827 30 10 IKEE CCSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1cn(C)c2ccccc12 1874225487 NVZJBIQFUDQMJS-WGOQTCKBSA-N 447.608 5.392 30 10 IKEE CCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc(N(C)C)cc1 1874231922 IRIPBUGHNUFFDJ-NLRVBDNBSA-N 429.593 5.277 30 10 IKEE CSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccc(C(F)(F)F)cc1 1874254328 WCGQHVVBIRZDSD-OPEKNORGSA-N 434.487 5.405 30 10 IKEE CCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccc(Cl)cc1Cl 1874263441 YKZBCUBDDBWNRX-LSHDLFTRSA-N 441.771 5.812 30 10 IKEE Clc1ccccc1CCc1nnc(SCCc2ccccc2)n1/N=C/c1ccccc1 1874279500 JZHAFRPXMWPCGL-ZXVVBBHZSA-N 447.007 5.934 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3F)n2/N=C/c2cccs2)cc1 1874349343 HJLRDOSANHTLMB-ZVHZXABRSA-N 438.553 5.253 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3F)n2/N=C/c2cc(C)ccc2O)cc1 1874373690 XDJWOEPLJWMWOB-JFLMPSFJSA-N 446.551 5.505 30 10 IKEE C=CCSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1ccc(OCCCCC)cc1 1874400234 LVJQESISZWZKFX-HOIQBIFOSA-N 434.609 6.159 30 10 IKEE C=CCSc1nnc(CC2CCCCC2)n1/N=C/c1ccc(OCCCCC)cc1 1874409340 RUCPPUSZUMXSHN-NCELDCMTSA-N 426.630 6.130 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccccc2)n1/N=C/c1ccc(C(=O)O)cc1 1874425915 HHHLOAOCSYQALP-MFKUBSTISA-N 428.517 5.126 30 10 IKEE Cc1cccc(CSc2nnc([C@H]3CCCO3)n2/N=C/c2c(F)cccc2Cl)c1 1874447552 FNVBNZAUDMQSEA-QVHMZZSFSA-N 430.936 5.405 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2C(F)(F)F)cc1 1874461636 XZBCJPFAUJHMJQ-LGJNPRDNSA-N 448.514 5.877 30 10 IKEE Clc1cccc(CSc2nnc(-c3ccco3)n2/N=C/c2c[nH]c3ccccc23)c1 1874468297 BRPNRPPBGAADTF-DHRITJCHSA-N 433.924 5.847 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1cccc(Cl)c1 1874479394 YPIRQJALZMIBSH-WGOQTCKBSA-N 434.996 6.602 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2C2CCC2)cc1 1874496053 STJOKRNCNPKNLN-WPWMEQJKSA-N 448.636 6.516 30 10 IKEE C=CCSc1nnc(C2CCC2)n1/N=C/c1ccc(N(CC)Cc2ccccc2)cc1 1874496648 XIDRONBFXRWORT-NLRVBDNBSA-N 431.609 5.732 30 10 IKEE Clc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CCC2)cc1 1874496762 CNZZGVIVZZLVFL-CVKSISIWSA-N 432.980 6.527 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CCC)nnc2SCc2cccc(F)c2)cc1 1874506550 ITIPUSKYXWDCRH-PCLIKHOPSA-N 426.561 5.723 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(SCc2ccc(Cl)cc2)nnc1C1CC1 1874520673 UOHQVMGEFFZRPU-VULFUBBASA-N 448.979 6.145 30 10 IKEE CCCOc1ccc(/C=N/n2c(C)nnc2SCc2c(Cl)cccc2Cl)cc1 1874533388 GROJHENHUWTYBQ-FSJBWODESA-N 435.380 5.857 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1cnnc1SCc1c(Cl)cccc1Cl 1874541973 CFRJCTPJAXPVJG-OPEKNORGSA-N 443.359 5.921 30 10 IKEE CC(C)(C)c1nnc(S)n1/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 1874559352 LYIRIDZCEHBASO-FOKLQQMPSA-N 435.380 5.632 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(C)cc1 1874579183 AXTLNVMRWZKWNL-ISLYRVAYSA-N 449.550 6.624 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Br)ccc2OCc2ccccc2Cl)cc1 1874579486 QTXZETJVDBLOCC-ZRDIBKRKSA-N 441.752 6.886 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccccc1OCc1ccccc1F 1874586378 KXCIBIHXLNRAOY-ZHACJKMWSA-N 431.290 6.616 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2c(C)cc(C)cc2C)c1OCc1cccc(C)c1 1874590112 TYKINAHUUVMOFN-MDZDMXLPSA-N 434.963 7.057 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OC)c1OCc1ccc(Cl)cc1 1874592111 DAGIOYHLVHMKRK-XYOKQWHBSA-N 443.326 6.486 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)cc(Cl)c1OCc1cccc(F)c1 1874611668 POSYNGUWFCVMEC-VAWYXSNFSA-N 440.898 6.362 30 10 IKEE CCc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(Br)cc3)c2)cc1 1874697161 PUQIRHNPGZHBHF-OVCLIPMQSA-N 435.317 6.127 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OC(=O)CSc1ccccc1 1874698810 PBLDVPBWIUKDRU-WYMLVPIESA-N 434.513 5.298 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)COc3ccccc3)c2)cc1 1874701633 CHUFDEACJBTVNF-OQLLNIDSSA-N 446.499 5.365 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OC(=O)c3c(F)cccc3Cl)c2)c1 1874706362 CUFUMLRMWNFNLH-PKNBQFBNSA-N 440.854 5.612 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1 1874713320 QKEWBHNUBXOLSB-KPKJPENVSA-N 431.444 5.336 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cccc(OC(=O)c2sccc2C)c1 1874715244 KAHDTAJAPCIBTO-BQYQJAHWSA-N 426.921 6.142 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1ccccc1C 1875095747 FPQSLZKYCSJLBH-FOWTUZBSSA-N 436.507 6.662 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc(Cl)ccc3Cl)cc2)cc1 1875099940 GPOQTVHYHUAAQQ-VGOFMYFVSA-N 425.311 6.671 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)CC12CC3CC(CC(C3)C1)C2 1875129264 SBESYAQZBNNESU-VQHVLOKHSA-N 430.544 6.103 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)CSc3ccccc3)c([N+](=O)[O-])c2)c(C)c1 1875134780 KYAITAVDLMUZSZ-FMIVXFBMSA-N 447.512 5.805 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])cc1 1875135995 RROLYFDRIGRKFL-VGOFMYFVSA-N 445.471 5.346 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1 1875143850 UDSNDZILDYISPK-NTCAYCPXSA-N 446.499 5.283 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(Cl)c3)c(Cl)c2)cc1 1875155736 RMDYMQGYWOXXOI-WUXMJOGZSA-N 439.338 7.232 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)CCc1ccccc1 1875157032 OSGRKONHDMYBTC-LICLKQGHSA-N 442.555 6.643 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3[N+](=O)[O-])cc2)c1C 1875168772 TXGCGIFXQREVHT-SDNWHVSQSA-N 443.499 5.873 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)C3CCCC3)c(Cl)c2)c1 1875172148 HEXKVSARSGXAAP-FMIVXFBMSA-N 442.939 6.129 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)cc2OC)cc1Br 1875178309 DDHPQYPSPJADMM-YRNVUSSQSA-N 447.325 5.458 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@H](C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 1880471988 YTJAKWHUNWPBCX-UXHICEINSA-N 443.588 5.351 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCCC)c2ccc(Br)cc2F)C1 1892695313 NICMCHXPMKIMGV-QGZVFWFLSA-N 427.358 5.242 30 10 IKEE C=C(COCc1ccccc1)[C@@H](N)c1ccc(Br)cc1NC(=O)OC(C)(C)C 1922081760 ZXMBZVBVVNECIF-HXUWFJFHSA-N 447.373 5.569 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@]1(C#N)CN(Cc2ccccc2)C2(CCC2)C1 1934344802 IZPLLIRUFJJMOH-HHHXNRCGSA-N 431.580 5.515 30 10 IKEE CC1CCN(S(=O)(=O)c2ccc(C(=O)C=Cc3cccc(Cl)c3Cl)cc2)CC1 2040459273 ROBKVCMWURPRLC-UHFFFAOYSA-N 438.376 5.310 30 10 IKEE C#CCCCCC[C@H](NCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2041897286 QNFKJQRQSRKLHL-IGKIAQTJSA-N 442.644 5.392 30 10 IKEE CCCN[C@]1(C#N)CC[C@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)[C@H]1CC 2058736625 CUADHCYNFUNCNU-PKTNWEFCSA-N 432.656 5.071 30 10 IKEE CN[C@@H](CC#CC(C)(C)C)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071252848 UZWCIZHFXPIPHA-SANMLTNESA-N 427.588 6.545 30 10 IKEE C=C(F)C[C@@H](NCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071344431 CBQUDCDEMQOLPT-SHQCIBLASA-N 435.539 5.729 30 10 IKEE COc1ccc([C@H](n2nc(C(C)(C)C)c(C=NO)c2Br)C(C)(C)C)c(O)c1 2079848736 MHBVOPAQNYNORD-KRWDZBQOSA-N 438.366 5.101 30 10 IKEE Cc1ccc(F)c(Cn2nc(-c3ccccc3)c(C#N)c2Br)c1Br 2080357478 WSOLBZFTMKBXIS-UHFFFAOYSA-N 449.121 5.443 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)C12CCCC2 2083815441 FVYYWMJZZGILQG-QFIPXVFZSA-N 448.568 5.140 30 10 IKEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(NC(=O)c2cscc2OCc2ccccc2)c1 2100094030 VQLAGXDEUGGUKD-UHFFFAOYSA-N 449.381 5.187 30 10 IKEE CCCc1ncc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)s1 2114348967 ZVHVOYVEHXCSPF-OAHLLOKOSA-N 436.375 5.864 30 10 IKEE C=CCCCC[C@@H](NCCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134734557 RMOJPWZWOGHUBN-MUUNZHRXSA-N 443.631 7.632 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Cl)cc(Br)c1 2136654765 BKQABDCBMHEMFK-QZTJIDSGSA-N 445.829 6.003 30 10 IKEE COc1ccc(CN(Cc2ccccc2)CC2CCCCC2)cc1B1OC(C)(C)C(C)(C)O1 2152159273 OTWDUWSQVVGLOX-UHFFFAOYSA-N 449.444 5.577 30 10 IKEE C=C([C@H](NCCC)[C@@H](O)c1scc(Br)c1Br)C(C)(C)C 2152975426 BURITSSTSAQMIG-QWHCGFSZSA-N 425.230 5.277 30 10 IKEE N#Cc1ccc(N[C@H]2CCN(Cc3ccccc3)CC23CCC3)c(F)c1Br 2154919666 FHELMVMVLYPIKD-IBGZPJMESA-N 428.349 5.317 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(C)c(Br)cc1C 2201064799 ZYIFUIBEEGYEPS-PMACEKPBSA-N 437.422 5.413 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(C)c(Br)cc1C 2201072359 ITWNNXOFYLVLTB-VQTJNVASSA-N 439.438 5.966 30 10 IKEE CCC#C[C@@H](NCCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2225474928 SFJQQBZCKWDEKZ-UHSQPCAPSA-N 443.587 5.660 30 10 IKEE C=CCCCCCC[C@@H](N)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237406494 DSDQEPBRVKHWOG-UXHICEINSA-N 439.438 5.739 30 10 IKEE Cc1cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)sc1B1OC(C)(C)C(C)(C)O1 2241491319 SBKXNTNDCNLJDZ-UHFFFAOYSA-N 447.409 5.198 30 10 IKEE C=C(C)CCCC[C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2250143636 YMJWMTIBEDXLQW-OEMFJLHTSA-N 432.649 5.990 30 10 IKEE C=CCC[C@H](OCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2262085083 MGPIZXUIQSDZNH-DEOSSOPVSA-N 432.516 5.953 30 10 IKEE CC1(C)OB(c2ccc(NC(=O)N(Cc3ccccc3)Cc3cccs3)cc2)OC1(C)C 2267640259 AGQBUFHDKCQCLM-UHFFFAOYSA-N 448.397 5.282 30 10 IKEE C=C(C)CCCC[C@H](N)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2271756619 TVEQCRHQRCIUNO-RBUKOAKNSA-N 425.411 5.349 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)c1c(Cl)ccc(Cl)c1Cl 2291119941 KCCSZZWJAMPRGF-HXUWFJFHSA-N 429.727 5.952 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@H](CC)CCNC(=O)OC(C)(C)C 2296302900 PDJVCBNOCCLANL-UYAOXDASSA-N 437.422 5.110 30 10 IKEE COc1ccc(N=C2SC(=Cc3ccc4c(c3)OCO4)C(=O)N2C2CCCCC2)cc1 2296390176 YQOVKDKXADMPFV-UHFFFAOYSA-N 436.533 5.361 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@H]2c2ccccc2[N+](=O)[O-])c1 2297457268 HWDIOQVTFRUWJI-XMMPIXPASA-N 440.455 5.086 30 10 IKEE O=[N+]([O-])c1cc(C=Nc2ccc3oc(-c4cccc(F)c4)nc3c2)ccc1Br 2297672149 KOIKQIOQBKDNCX-UHFFFAOYSA-N 440.228 6.055 30 10 IKEE COc1cccc(C[C@H]2Nc3cc4cc(C)ccc4nc3SC2=Nc2cccc(C)c2)c1 2297707528 RUVCZBYRZIMFIQ-XMMPIXPASA-N 439.584 6.719 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C)NCC 2303835913 FAYVSOIVBAZQAM-VJBWXMMDSA-N 430.633 5.457 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1[C@H](C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 2304185394 BJFBZIRKRHTPHK-ROUUACIJSA-N 447.601 5.167 30 10 IKEE C=CC[C@@H](Oc1cc(Cl)c(Br)cc1N)[C@@H]1CCN1C(=O)OC(C)(C)C 2314301466 SEVIDEOUQWJQJE-LSDHHAIUSA-N 431.758 5.018 30 10 IKEE O=C(C=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cccc(NC(=O)c2cccs2)c1 2314522942 DDCFSFNOGRRNOM-UHFFFAOYSA-N 444.468 6.065 30 10 IKEE CC#CCN(C[C@@H](NCC)c1cc(Cl)cc(Br)c1)C(=O)OC(C)(C)C 2316100331 WPRGMPHXGMECAT-QGZVFWFLSA-N 429.786 5.014 30 10 IKEE CCCOc1c(OC)cc(C=NNc2oc([C@@H]3C[C@@H]3c3ccccc3)nc2C#N)cc1OC 2320837488 ZNCQJXOFDULTPA-RTBURBONSA-N 446.507 5.069 30 10 IKEE CC(C)(C)c1ccc(OCCCc2nnc(S)n2N=Cc2cccc3ccccc23)cc1 2322278291 JLWLIGHDAHLXLV-UHFFFAOYSA-N 444.604 5.911 30 10 IKEE CCOc1c(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc(Br)cc1OC 2322305587 DNJBCXURCXPQCP-UHFFFAOYSA-N 437.333 6.420 30 10 IKEE O=C(C=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12)c1cccc([N+](=O)[O-])c1 2322307948 CCXQHAXGOWEUPM-UHFFFAOYSA-N 427.431 6.362 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc3ccccc3c2)c1OCc1ccccc1 2322321628 FWDDSOKFHRLYDA-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2ccc([N+](=O)[O-])cc2)cc1 2322402040 WLYDTUSXHRXQNO-UHFFFAOYSA-N 445.515 6.421 30 10 IKEE CCc1ccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3cc(C)ccc3C)C4)C2=O)cc1 2322412956 PANOEJJZBVAXLO-UHFFFAOYSA-N 439.555 6.143 30 10 IKEE CCOC(=O)c1ccc(COc2c(C=CC(=O)c3ccc(Cl)cc3)cccc2OC)o1 2322542320 YAOZOZSLIKQNIM-UHFFFAOYSA-N 440.879 5.593 30 10 IKEE COC(=O)c1ccc(COc2ccc3ccccc3c2C=CC(=O)c2cc(C)ccc2C)o1 2322617115 ZEHMQXIUBRWIKF-UHFFFAOYSA-N 440.495 6.311 30 10 IKEE CCCCCCCCCOc1ccc(C=NNc2nnc(C(C)(C)C)c(O)n2)cc1OC 2323280104 PAZKMODCGRYXQK-UHFFFAOYSA-N 443.592 5.459 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)Cc4cccc5ccccc45)cc(C)c3C2=O)cc1 2323399890 IUTIVLFYMBCHSB-UHFFFAOYSA-N 434.491 6.221 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OCC(=O)Nc1cccc(C)c1 2323777477 IWTCGQPYLVLSRV-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2F)C3=O)c1 2323857911 CFNRRDNOANKFEA-UHFFFAOYSA-N 430.431 5.534 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(C(C)(C)C)cc3)n2)cc1 2324404324 NHUQAYUDBKXCCB-DEOSSOPVSA-N 442.628 7.340 30 10 IKEE COc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1C)OC(=Cc1ccccc1)C2=O 2324473783 GHZLEZSFDKQKGT-KRWDZBQOSA-N 429.472 5.026 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccc(F)cc2)C3=O)c(C)c1 2324494535 XKKPKKMEPCGURF-SFHVURJKSA-N 445.490 5.773 30 10 IKEE CC(C)(C)c1ccc(OCCOc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1 2324685159 VTDKCDCNGWQKFV-UHFFFAOYSA-N 448.946 6.712 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(C(C)(C)C)cc3)n2)c(OC)c1 2324760631 IBJMXQFFKFXQSD-NRFANRHFSA-N 446.572 6.014 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3cccc([N+](=O)[O-])c3)n2)cc1Cl 2324807406 XJNDVSJTENTTAI-INIZCTEOSA-N 439.880 5.270 30 10 IKEE Oc1ccccc1C=Nn1c(Cc2ccccc2)nnc1SCc1ccccc1Cl 2325490373 HKAANPCBGDFDCO-UHFFFAOYSA-N 434.952 5.402 30 10 IKEE CCCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1N=Cc1ccc(CC)cc1 2325513790 XJXMJMJYFCUZSH-UHFFFAOYSA-N 440.569 5.127 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1cccc([N+](=O)[O-])c1 2325592980 HDCDQLPEZCYEEJ-UHFFFAOYSA-N 436.324 5.230 30 10 IKEE CCCOc1ccc(C=CC(=O)C(=O)Nc2ccc(C)c(Br)c2)cc1OCC 2325649039 RTECHJJCLQHCSY-UHFFFAOYSA-N 446.341 5.166 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2cccc(Cl)c2)cc1OC(=O)C1CC1 2325728065 WQFDCJTVKREDLQ-UHFFFAOYSA-N 435.701 5.323 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2cccc(OC(=O)CCCSC)c2)cc1Cl 2325759684 VIAQDXFYAVTCTI-UHFFFAOYSA-N 434.941 5.302 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)ccc2OC)cc1OC(=O)c1cccs1 2325780354 BBPQCXMSAIHGJQ-UHFFFAOYSA-N 428.893 5.534 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1N=Cc1cccs1 2325856749 ZQFXFXDCBGJDEZ-UHFFFAOYSA-N 440.638 5.809 30 10 IKEE CCCCCCCOc1ccccc1C=Nn1cnnc1SCc1ccc(Cl)cc1 2326349090 VPUMSYORAAYMKK-UHFFFAOYSA-N 443.016 6.455 30 10 IKEE C=CCSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1cc(C)ccc1O 2326399123 NMLHXXUWENYSGJ-UHFFFAOYSA-N 436.581 5.081 30 10 IKEE Cc1ccc(COc2ccccc2C=Nn2cnnc2SCc2ccccc2Cl)cc1 2326532821 OFPGSZZGIIGTTP-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE CCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1ccc(OCC(C)C)cc1 2326681285 OZAFJZHRFWCZOD-UHFFFAOYSA-N 433.581 5.312 30 10 IKEE CCCCc1nnc(SCc2cccc(C(=O)OC)c2)n1N=Cc1c[nH]c2ccccc12 2326766532 VLJPNVFCRVWTAF-UHFFFAOYSA-N 447.564 5.063 30 10 IKEE CCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccccc1C(F)(F)F 2326821195 WUYMKPXPKKFMQV-UHFFFAOYSA-N 449.458 5.332 30 10 IKEE O=[N+]([O-])c1ccccc1Cc1nnc(SCc2ccccc2F)n1N=Cc1ccccc1 2328490068 TYZNYULTORQPQK-UHFFFAOYSA-N 447.495 5.091 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(Cl)cc3)n2N=Cc2cccn2C)cc1 2329068773 XIRBGPMJLUJUNV-UHFFFAOYSA-N 435.984 5.344 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3C)n2N=Cc2ccc(O)cc2)cc1 2329468178 ADRPKJAVHNVROC-UHFFFAOYSA-N 442.588 5.560 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CCc2ccccc2C)nnc1SCC(=C)C 2329486441 MUJDMHHLERNTPS-UHFFFAOYSA-N 432.593 5.487 30 10 IKEE Cc1cccc(C=Nn2c(SCC(=O)OCC(C)C)nnc2-c2ccccc2Cl)c1 2329608646 RDCWOXFBDLKRCF-UHFFFAOYSA-N 442.972 5.080 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3F)n2N=Cc2cccc(O)c2)cc1 2329995337 FTRVLCHLFSQFAH-UHFFFAOYSA-N 432.524 5.197 30 10 IKEE C=CCSc1nnc(Cc2ccc(C)cc2)n1N=Cc1ccc(OCCCCC)cc1 2330008217 YKVYIZCTJBTCPT-UHFFFAOYSA-N 434.609 5.907 30 10 IKEE CCOc1ccc(C=Nn2c(Cc3cccs3)nnc2SCCc2ccccc2)cc1 2330396122 KPSPYTWHBFOVNS-UHFFFAOYSA-N 448.617 5.546 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3)n2N=Cc2cc(C)ccc2O)c1 2330468059 OTMYSMFEFYEIIY-UHFFFAOYSA-N 428.561 5.366 30 10 IKEE CC(=Cc1ccccc1Cl)C(=O)N[C@H](C(=O)Nc1ccc(C#N)cc1)c1ccccc1 2330478044 MCAKFXGDTLPPHQ-QHCPKHFHSA-N 429.907 5.111 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)C=Cc1ccccc1[N+](=O)[O-] 2330645929 UVLDEUYJQOSUMZ-NRFANRHFSA-N 431.577 5.150 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(OC)c(OC)c2)cc1OCC 2330726939 NXSISLGVBXEOSI-UHFFFAOYSA-N 432.900 5.358 30 10 IKEE CC(C)(C)Cc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccccc1O 2330856658 IICIEQNQGAGRHH-UHFFFAOYSA-N 449.407 6.054 30 10 IKEE Cc1cccc(CSc2nnc(C3CCCC3)n2N=Cc2ccc(Cl)c(Cl)c2)c1 2331045270 UCJVNNHJVWIVMY-UHFFFAOYSA-N 445.419 6.725 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CCCC2)cc1 2331092829 RNEYXIFGTUBCKM-UHFFFAOYSA-N 439.028 6.887 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2C(F)(F)F)cc1 2331108808 WCDBZDXZJHTPSC-UHFFFAOYSA-N 447.530 5.626 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)CCCSC 2331116256 DSOXQGVJKSLGJT-UHFFFAOYSA-N 439.360 5.947 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccncc2)c(Br)c1)c1cccc(Cl)c1 2331123570 QKPAAYRJYDBETJ-UHFFFAOYSA-N 442.696 5.613 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)c1ccccn1 2331135818 CMMQPTMQTMXCBP-UHFFFAOYSA-N 433.891 5.587 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(Cl)c1)c1ccccc1 2331166007 CQGASVWTGTYYKO-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE CC(C)Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1cn(C)c2ccccc12 2331443961 STDQOQPNEFPPHV-UHFFFAOYSA-N 448.552 5.051 30 10 IKEE C=C(C)CSc1nnc(CC(C)C)n1N=Cc1ccc(OCCCCC)c(OC)c1 2331453419 RUNUCFBNXNWCRO-UHFFFAOYSA-N 430.618 5.605 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2cccs2)c(Cl)c1 2331661920 JZAVSFSMPKQHIV-UHFFFAOYSA-N 426.921 6.142 30 10 IKEE CCCOc1c(C=Nn2c(SCc3ccc(C)cc3)nnc2C2CC2)cccc1OC 2331717376 FTXLFFMVFJFOMB-UHFFFAOYSA-N 436.581 5.436 30 10 IKEE CC#CCN(C[C@H](NCCC)c1c(Cl)cccc1Br)C(=O)OC(C)(C)C 2337916573 TXAPAKDYBQJFAN-KRWDZBQOSA-N 443.813 5.404 30 10 IKEE N#C[C@H](CSc1cc(I)ccc1Br)c1ccccc1 2338404155 OUOKHDJLAOFJTL-GFCCVEGCSA-N 444.135 5.453 30 10 IKEE CC1(C)OB(c2ccc(COc3cccc(Cl)c3F)cc2Br)OC1(C)C 2377305764 XLVQFVCMQWJODU-UHFFFAOYSA-N 441.533 5.120 30 10 IKEE CSc1nc2n(n1)[C@@H](c1cccc(Oc3ccccc3)c1)C1=C(CC(C)(C)CC1=O)N2 17098064 ULDCMENYAAPLNL-NRFANRHFSA-N 432.549 5.450 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(OCC(C)C)cc2)cc1 21224345 YRIUKPJMPCAAMA-QPPBQGQZSA-N 447.575 5.515 30 10 IKEE CCCCCC(=O)/C=C/[C@@H]1[C@@H](OC(=O)c2ccc(-c3ccccc3)cc2)C[C@H]2OC(=O)C[C@@H]12 28631215 KVAPQSSLLZXBHI-PYOLHNHRSA-N 446.543 5.536 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2ccco2)cc1 33379776 JSRTYTRYWXXQFK-XMMPIXPASA-N 441.483 5.928 30 10 IKEE COC(=O)c1ccc(/C=C2\Oc3cc(OCc4c(F)cccc4Cl)ccc3C2=O)cc1 39754205 FJLAZNUJRQNAKN-JJFYIABZSA-N 438.838 5.461 30 10 IKEE CCCCCCCCCCCCCCCCCCCCC[C@H](O)C[C@@H](O)CCCCC 43888357 DAGYDJHSDMRWJX-VMPREFPWSA-N 440.797 9.501 30 10 IKEE endogenous,in-man CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)=O 62234019 ISKFXOKNNWWGBM-UHFFFAOYSA-N 436.809 11.128 30 10 IKEE in-vitro CCCCCCCCCCCCCCCCn1c(-c2cccc(OC)c2)nc2ccccc21 102197039 HXWFONUFWVKBFT-UHFFFAOYSA-N 448.695 9.193 30 10 IKEE CCOc1cc(/C=N\n2c(S)nnc2C2CCCCC2)ccc1OCc1ccccc1 169909975 MWYDYUNCCQTZRH-XYGWBWBKSA-N 436.581 5.474 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccc(N(C)C)cc2)cc1C 169954080 JWUJCGCEJJMESR-RUZDIDTESA-N 440.543 5.461 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1cccs1)c1cccc2ccccc12 169983898 RRRPRPGVJQANJR-JOCHJYFZSA-N 447.462 5.962 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccs1 169987025 GMEQWADCDKNQQE-IBGZPJMESA-N 444.339 6.146 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2cccnc2)c1 170002644 PIMXPDYJGQRTQK-XMMPIXPASA-N 426.516 5.605 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2ccccc2)=C(N(C)Cc2ccccc2)C1=O 170041314 JOXSXPKVZBMFSD-UHFFFAOYSA-N 432.608 6.039 30 10 IKEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4c[nH]c5ccccc45)[C@@H]3c3ccccc3)nc2c1 170055862 AAJPQZQEKHOWPL-QHCPKHFHSA-N 448.482 5.136 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(C)o1 170100306 CLIZWCGZLBBMMF-HSZRJFAPSA-N 443.455 5.121 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2CCc2ccc(F)cc2)o1 170102734 YHCJWINJZRQWDE-QHCPKHFHSA-N 444.462 5.029 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1C1CCCCC1 170123671 UANFKCWJYMUIIJ-XMMPIXPASA-N 449.547 5.393 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2c2ccccc2O)c1 170141277 JREHLGPOEPUEOO-VWLOTQADSA-N 439.511 5.362 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1cccc(C)c1 170142284 HJXQKTQTFPIJBN-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccc(C(C)(C)C)cc1 170150279 YGZXBSGIUAOQKB-HJPURHCSSA-N 433.548 5.296 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccs1)c1ccc2ccccc2c1 170163271 RAHSJVZARQOZJO-JOCHJYFZSA-N 426.497 5.075 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccccc2)c1 170225731 KWUQAMUNFJOFGN-RUZDIDTESA-N 441.527 5.875 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@H]1c1ccccc1F 170253091 YRHMJEIFFSLIOK-HXUWFJFHSA-N 431.891 5.256 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccco2)c1 170285590 JXHVKCKTYUUEMU-XMMPIXPASA-N 427.500 5.558 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2cccc(Cl)c2)o1 170303459 NCSUKTXBONZNRK-LJQANCHMSA-N 428.271 5.678 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(Br)c(C)c3)=C(O)C(=O)N2C2CCCC2)o1 170310758 COZJPOMIIVIAMW-LJQANCHMSA-N 444.325 5.180 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1c(C)[nH]c2ccccc12 170312267 JFMLPBZYZLIMKZ-FQEVSTJZSA-N 443.330 5.771 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2sccc2C)c(OC)c1 170315455 LBGZSQGINDOAOK-OAQYLSRUSA-N 449.528 5.165 30 10 IKEE CCc1ccc(N=C2S/C(=C/c3cn(C)c4ccccc34)C(=O)N2C2CCCCC2)cc1 252628450 SQKWGNBLDPPRJC-UYJNXHFOSA-N 443.616 6.677 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(O[C@H](C)CC)cc2)cc1 253578259 YCNRAJRIUCOYCI-UTSGNWPNSA-N 447.575 5.657 30 10 IKEE Cc1cccc(OCCn2cc(C=N/N=c3/[nH]c4ccccc4s3)c3ccccc32)c1 254372128 CRBBHMZATKZPNQ-UHFFFAOYSA-N 426.545 5.506 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)SC1=Nc1ccc(F)cc1 254394296 MJXLWSRHRRLPKK-QUXILYDTSA-N 436.464 5.408 30 10 IKEE COc1cccc(/C=C2/SC(=Nc3ccc(C)cc3)N(Cc3ccccc3)C2=O)c1OC 254490182 QXCHNEVRCWRNJA-GQUXDKRHSA-N 444.556 5.816 30 10 IKEE CC1=CC(=O)C(=O)C2=C1O[C@]1(C2)[C@H](C)CC[C@@H]2[C@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]21C 257474441 LLWMPGSQZXZZAE-RIFZEAGYSA-N 426.597 5.147 30 10 IKEE N#Cc1cc(Br)ccc1CNc1c(Br)cccc1Br 311578533 WJVKRQQNNROZJS-UHFFFAOYSA-N 444.952 5.458 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1ccccc1OCCC 526812128 YYBBNBBUAMMGSG-ONUIUJJFSA-N 436.625 6.201 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1cccc([N+](=O)[O-])c1 526812627 DWCBWCWOKZKJTE-XKZIYDEJSA-N 429.933 5.357 30 10 IKEE Clc1ccc(CSc2nncn2/N=C\c2c(Cl)cccc2Cl)c(Cl)c1 526823647 MMWJCCVKJYLLHQ-HOEBFWFUSA-N 432.163 6.066 30 10 IKEE C#CCN(c1cccc(OC(F)(F)F)c1)S(=O)(=O)c1ccc(CCCCCC)cc1 586236292 OQHBHUBMWDBDRG-UHFFFAOYSA-N 439.499 5.537 30 10 IKEE CSc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)cc1 698491206 XNPUBOUJWLBXCF-SFHVURJKSA-N 433.371 6.177 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@@H](C#N)c1c(F)cccc1Br 698991761 VCRRJFFPHRNNJU-INIZCTEOSA-N 439.712 6.248 30 10 IKEE CCCCCCCCCC[C@@H](N)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 707805525 CPHZBGLJLHKLHK-QPTUXGOLSA-N 434.665 6.343 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)C1CCCCCC1)C2 709472780 WDRCEYWLUBORRH-KHOMTPLRSA-N 447.620 5.628 30 10 IKEE C=CCC1([C@H](O)c2ccc(Br)c(Cl)c2F)CN(C(=O)OC(C)(C)C)C1 722937161 XMBICMKTDQSERW-OAHLLOKOSA-N 434.733 5.088 30 10 IKEE CC(=NN1C(=O)CN(Cc2ccccc2)[C@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 1084391367 MKQQAMCGDSQPIA-XMMPIXPASA-N 448.910 5.015 30 10 IKEE O=S(=O)(NC1CCCCC1)c1ccc(N=Cc2ccccc2OCc2ccccc2)cc1 1084560004 DQHFZHLJIORMRE-UHFFFAOYSA-N 448.588 5.627 30 10 IKEE C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](OS(C)(=O)=O)CC[C@@]43C)[C@H]1CC=C2c1cccnc1 1690140233 LSAACYNNLMENON-CDLGYSEXSA-N 427.610 5.383 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=Nc1ccc(C(=O)O)c(O)c1 1772760915 HYWUIKBRSGVGEG-FFJDBXNVSA-N 449.315 5.187 30 10 IKEE Cc1ccc(NC(=S)N/N=C\c2cn(-c3cccc(F)c3)nc2-c2cccs2)cc1 1857809213 RECXAFQEDSBCCP-CFRMEGHHSA-N 435.553 5.369 30 10 IKEE Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N\NC(=S)Nc2ccc(F)cc2)c(C)c1 1857811667 WABAGKSUGMQQPW-DICXZTSXSA-N 443.551 5.616 30 10 IKEE COc1ccc(-c2nc3cc(C(=O)Nc4sc5c(c4C#N)CCCC5)ccc3o2)cc1 1859742761 AXOAGZJVFFKLCI-UHFFFAOYSA-N 429.501 5.568 30 10 IKEE CCOc1ccc(/C=C/C(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OCC 1860728593 GZNYROOOEXQEKC-MHWRWJLKSA-N 445.515 5.284 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862394620 IFAAVFMFBAIRRP-RUZDIDTESA-N 442.559 6.031 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccccc2C)cc1C 1862400829 NXNJTIZXXJNRBC-NYQDVAGCSA-N 433.548 5.469 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccccc1Cl)c1ccccc1Cl 1862432619 IYTQHBFZXHNYHI-HXUWFJFHSA-N 439.298 5.167 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc(OC)c1 1862474761 ULGOMTCNRIJECV-URXFXBBRSA-N 435.564 5.941 30 10 IKEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(F)cc2)cc1 1862474782 UZCAEWYXQQHDRA-OSPHWJPCSA-N 445.490 5.482 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccc(O)cc2)c1 1862489417 BGBRHIZLESVOSZ-XMMPIXPASA-N 431.532 5.478 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2cccc(Cl)c2)c1 1862491637 XUHRLYCXEPMVLH-XMMPIXPASA-N 445.946 6.044 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2cccc(O)c2)ccc1F 1862507984 WAICQEMTTLPEPM-HSZRJFAPSA-N 437.511 5.531 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccc(OC)cc3)[C@H]2c2ccccc2)cc1 1862535069 ZKMYWGLFUZJWFD-BVZFJXPGSA-N 441.527 5.597 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(N(C)C)cc1 1862583260 WULWQQVCWQHFNU-FQEVSTJZSA-N 447.362 5.294 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1cccc(Cl)c1 1862591871 QAEAPSWFIKENGC-KNQAVFIVSA-N 441.955 5.983 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccccc2)cc1 1862662037 ZNAKXSYHINHHDS-XMMPIXPASA-N 429.491 5.728 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc2c(c1)CCCN2C 1862667528 DMSWCQOTGHONKJ-AVRWGWEMSA-N 446.591 5.569 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1Cl 1862675236 FMMRKOWZASIZAU-JOCHJYFZSA-N 443.946 6.418 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc(Cl)cc2Cl)cc1 1862690297 LWEJIQLFGXVZHN-LJQANCHMSA-N 434.319 5.236 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1cccc(F)c1)c1ccc2ccccc2c1 1862714721 FTEPVZRAGASUGJ-XMMPIXPASA-N 438.458 5.152 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 1862722675 WRPWOFKVIJDVCV-SANMLTNESA-N 449.506 6.034 30 10 IKEE Cc1cc(C2=C(Nc3ccccc3C#N)C(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1F 1863469555 OZHHRJIGCWYSAU-UHFFFAOYSA-N 445.881 5.051 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(Br)cc2)C(=O)N(C2CC2)C1=O 1863554522 CDWJCUFFYYTKBD-UHFFFAOYSA-N 447.417 5.422 30 10 IKEE CCCCCCCCNC1=C(c2ccc(OC)cc2)C(=O)N(CCc2cccs2)C1=O 1863672960 OWJIZVKFDNJNSK-UHFFFAOYSA-N 440.609 5.029 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1nc2c(C)cccc2s1 1866032347 KAAGQMKVFBHIGJ-UHFFFAOYSA-N 430.702 8.805 30 10 IKEE CC[C@](C)(NC(=O)c1ccc(-c2cc3ccccc3[nH]2)cc1)C(=O)Nc1ccc(C#N)cc1 1867064501 SDNUUJRINLYGHH-MHZLTWQESA-N 436.515 5.244 30 10 IKEE CCCC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N[C@H](C#N)c1ccc(C)cc1 1867351848 ACOGNYVCCVVIKA-IZZNHLLZSA-N 439.559 5.332 30 10 IKEE CCc1ccc([C@@H]2CN(c3cc(Nc4cccc(C#N)c4)nc(C(C)C)n3)CCO2)cc1 1868221303 ITZFRZZLYOEEQK-QHCPKHFHSA-N 427.552 5.356 30 10 IKEE C=CCn1cc(OCc2cccc(C)c2)c(=O)cc1CSc1nc2ccccc2s1 1870168790 FTRRIRCRVNUEIQ-UHFFFAOYSA-N 434.586 5.824 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(C(C)C)cc2)cn1CCCCCC 1870473582 UGBRBGFDPXQZNB-UHFFFAOYSA-N 436.640 6.305 30 10 IKEE CCCCCCCOc1cn(CCC(C)C)c(CNc2ccc(OC)c(Cl)c2)cc1=O 1870833923 ZUBRLRNIOUSKLP-UHFFFAOYSA-N 449.035 6.518 30 10 IKEE C=CCn1cc(OCc2c(F)cccc2Cl)c(=O)cc1CNc1ccc(Cl)c(C)c1 1871089712 YKLKZWHIMLCUDP-UHFFFAOYSA-N 447.337 5.980 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN([C@@H]3CCCC[C@H]3C)C4)C2=O)cc1 1871355460 AIIPKHKDYSTFDI-KWMSOZEESA-N 433.548 5.741 30 10 IKEE Cc1c(OC(=O)CCCOc2ccccc2)ccc2c1O/C(=C\c1cccc(Cl)c1)C2=O 1871371038 HUYXSNLCSJTLSB-KQWNVCNZSA-N 448.902 6.029 30 10 IKEE Cc1cc(OC(=O)Cc2ccccc2[N+](=O)[O-])cc2c1C(=O)/C(=C/c1ccc(Cl)cc1)O2 1871374722 XDZCTROHOSIAER-NHDPSOOVSA-N 449.846 5.321 30 10 IKEE CN(Cc1c(O)ccc2c1O/C(=C\c1ccc(Br)cc1)C2=O)C1CCCCC1 1871393369 HOORVPNZGFWXLC-BKUYFWCQSA-N 442.353 5.535 30 10 IKEE Cc1cc(OCCCc2ccccc2)cc2c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O2 1871399492 LONXVMKYJBBJPG-ITYLOYPMSA-N 426.556 6.920 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3c(C)cc(C)cc3C)ccc2C1=O 1871458368 HHBABAPPNLNJIM-CFRMEGHHSA-N 443.499 5.254 30 10 IKEE CCCCCCCCN=c1nc(N2CCC(C)CC2)[nH]c(=Nc2ccccc2C(C)C)[nH]1 1871494944 BDYICDRGRCQJHP-UHFFFAOYSA-N 438.664 5.591 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 1871837391 LARPOVCVTGSJFM-XMMPIXPASA-N 442.625 5.430 30 10 IKEE C=CCN([C@H](CCC)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1cccs1 1872011248 WFWCNDNIFQKRBZ-LJQANCHMSA-N 434.627 5.030 30 10 IKEE N#C[C@H](C(=O)CNC(=O)c1ccccc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872759345 LAKOGIWZPLMROV-JOCHJYFZSA-N 437.524 5.083 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(Cl)c(C)c3)n2)cc1OC 1872761623 RMGVXTJMBINCGL-INIZCTEOSA-N 442.924 5.044 30 10 IKEE CC(C)Oc1ccc(/C=C(/C(=O)[C@@H](C#N)c2nc(C(C)(C)C)cs2)c2ccccc2)cc1 1872767845 BHXBJMFOEMGLCP-VKIDYWOHSA-N 444.600 6.645 30 10 IKEE CCOc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2cccc3ccccc23)cs1 1872775444 QPMPRSYGUHZMCF-HXUWFJFHSA-N 428.513 5.617 30 10 IKEE CC(C)(C)c1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3cccc4ccccc34)cs2)cc1 1872775782 ZPKYPGOTXJWGHW-LXGWOEDASA-N 436.580 7.150 30 10 IKEE CCc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc1 1872786230 FNUDUQPJRXFIMJ-JOCHJYFZSA-N 432.589 6.333 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCC)=C(c2ccc(-n3cccc3)cc2)C1=O 1873035666 IPABCQADPMGRFS-UHFFFAOYSA-N 449.639 6.088 30 10 IKEE CCCCCCCCN1C(=O)C(NCCc2ccccc2)=C(c2cc(F)cc(F)c2)C1=O 1873107760 QRCRCFWMIPAKQW-UHFFFAOYSA-N 440.534 5.238 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2[C@H](C)CC)=C(c2c(Cl)cccc2Cl)C1=O 1873289523 QXEMIFYPZOBJCI-CQSZACIVSA-N 429.347 5.885 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc3c(c2)OCO3)=C(c2ccccc2C)C1=O 1873305630 NKXFJRUSBQFSPI-UHFFFAOYSA-N 434.536 5.276 30 10 IKEE Cc1ccc(CN2C(=O)C(Nc3ccccc3C#N)=C(c3c(C)cc(C)cc3C)C2=O)cc1 1873323223 KSKSUSWCFDQZFG-UHFFFAOYSA-N 435.527 5.184 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1sccc1C 1874230264 AVCHJDZLXPUMBZ-LSHDLFTRSA-N 433.002 5.739 30 10 IKEE C=CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccc(N(C)C)cc1 1874244771 NOXQUBPYZUXHKH-YZSQISJMSA-N 435.641 5.263 30 10 IKEE CSc1nnc(Cc2ccccc2F)n1/N=C/c1ccc(OCc2ccccc2C)cc1 1874372543 FTEBQKBVFSTMNE-JVWAILMASA-N 446.551 5.500 30 10 IKEE Cc1ccccc1CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1ccc(O)cc1O 1874392176 GGHOTVQBUQSPID-GTPWMTBTSA-N 444.560 5.324 30 10 IKEE C=C(C)CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1ccc(OCCCCC)cc1 1874395445 MUCBXRLECLTCQE-CHZJBYNNSA-N 448.636 6.549 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2ccccc2Cl)nnc1-c1cccs1 1874422475 NYIGKBYIVUBGGD-YDZHTSKRSA-N 440.981 5.843 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2cccc(Cl)c2)c1 1874445921 OJJMUWJZHUFIJT-AFEQLLIESA-N 426.973 5.574 30 10 IKEE COC(=O)c1ccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2-c2ccco2)cc1 1874467003 NLKGJJJFZHYSGZ-AFUMVMLFSA-N 446.532 5.116 30 10 IKEE COC(=O)c1ccc(CSc2nnc(C(C)(C)C)n2/N=C/c2cccc3ccccc23)o1 1874481532 AKABCRZUWUPODY-AFUMVMLFSA-N 448.548 5.283 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874482763 MEDICDHUHPHQCC-RPPGKUMJSA-N 436.478 5.908 30 10 IKEE CCOc1c(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CC2)cccc1OC 1874520763 UTKZGBYCXDUNEU-ZMOGYAJESA-N 442.972 5.391 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(CC)n2/N=C/c2ccc(C(C)(C)C)cc2)o1 1874525388 KTYMNUIEGPQFEN-ZVHZXABRSA-N 440.569 5.082 30 10 IKEE Sc1nnc(CCCOc2ccccc2)n1/N=C/c1cccc(Oc2ccccc2)c1 1874563854 AYRJTRSCZZHAJR-XIEYBQDHSA-N 430.533 5.253 30 10 IKEE Fc1cccc(Cl)c1/C=N/n1c(S)nnc1CCCOc1ccc2ccccc2c1 1874569178 LDHWINKUSSESAO-AFUMVMLFSA-N 440.931 5.406 30 10 IKEE O=C(/C=C/c1ccccc1OCc1c(F)cccc1Cl)c1ccc(Cl)c(Cl)c1 1874578890 LGXGWVVTLQYGPW-PKNBQFBNSA-N 435.709 7.261 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc1OCc1ccc(F)cc1 1874600287 DSSZITBZQGYEKD-UXBLZVDNSA-N 440.898 6.280 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OCc1ccc(Cl)cc1 1874623168 OVETYPXDTIBBPT-RVDMUPIBSA-N 428.915 6.977 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 1874625094 LKEGQLWMJOPFKD-XLUWADSXSA-N 446.261 6.516 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccc(OCc2cc(C)ccc2C)cc1 1874628405 BQQAOYQAYAWRGZ-DHZHZOJOSA-N 441.354 7.094 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3C)c(OC)c2)c(OCC)c1 1874634707 PSKFKWNUMSEPOD-RVDMUPIBSA-N 446.543 6.276 30 10 IKEE C=C(C)COc1c(OCC)cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc1[N+](=O)[O-] 1874638808 SXEZWMVFEGAYBN-ZRDIBKRKSA-N 447.487 6.006 30 10 IKEE O=C(Cc1cccs1)Oc1cccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)c1 1874712737 OPVDHJILJQHWDX-LFIBNONCSA-N 440.520 6.585 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(F)cc3)c2)c1 1874713072 FKSJIEOTQCSCNH-GXDHUFHOSA-N 448.490 5.667 30 10 IKEE COc1ccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3cc(C)c(OC)cc3C)c2)cc1 1874717916 OUVPPMPIZXJBMF-GXDHUFHOSA-N 444.527 5.755 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(F)c(F)c2)CSc2nnc(C3CC3)n21 1874842550 HSDHGBNPEQEGIO-LJQANCHMSA-N 434.556 5.496 30 10 IKEE CCCCCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2ccc(OC)cc2)cc1OC 1875112266 AKVRXROJTNGJHS-XNTDXEJSSA-N 426.509 5.484 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(C)cc3C)c(Cl)c2)cc1 1875133236 LDDCZCDZUNFHDD-YRNVUSSQSA-N 434.919 6.146 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1cccc(OC)c1 1875136383 MDUMWHRZHZGFGM-NTCAYCPXSA-N 442.511 5.856 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)c1ccc(F)c(F)c1 1875157909 UWNADZVTFACHKZ-XCVCLJGOSA-N 442.389 5.236 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)Cc1cc(C)ccc1C 1875158975 VYWKXIVOEZUUEW-NTUHNPAUSA-N 432.491 5.885 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3c(C)cccc3C)c(Cl)c2)cc1C 1875175317 JNTAJYHZEDEPLZ-FMIVXFBMSA-N 448.946 6.454 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC3CCCCC3)cc2)c2ccccc12 1875190007 FRVWACCZWCAPBE-GHRIWEEISA-N 428.528 6.620 30 10 IKEE O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(C(F)(F)F)cc1C(F)(F)F 1890375123 DQCIQEOMPLKLEY-UHFFFAOYSA-N 434.336 6.239 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1c(Br)cncc1Br 1978562605 HORSBOCMKRMJDH-GOSISDBHSA-N 440.179 5.030 30 10 IKEE CCCN(CCC#N)C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)CC 1985180669 XBDKOJPDJJWEQG-KBMIEXCESA-N 447.579 5.092 30 10 IKEE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1C#N 2006173993 BSNXQDXIJKSFCE-YTFSRNRJSA-N 427.633 5.758 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C1(C)C 2013403839 BWLPQYGHIQKUGN-GAJHUEQPSA-N 449.979 5.667 30 10 IKEE CCOc1cc(C=C2SC(=Nc3ccc(C)cc3)NC2=O)ccc1OCc1ccccc1 2040447925 ZQGOIHPVFKKDCR-UHFFFAOYSA-N 444.556 5.864 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2csc(N(C(C)=O)c3cccc(C)c3C)n2)c1 2040483661 DIJKCCCZVIDOIJ-UHFFFAOYSA-N 436.533 5.358 30 10 IKEE C#CC[C@H](C)C[C@H](NCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2076084391 KLZAGRCFUXQOAG-HOFKKMOUSA-N 427.588 6.545 30 10 IKEE Cc1ccc([C@@H](C2CC2)n2nc(C(C)(C)C)c(C#N)c2I)cc1C 2078985026 DQGLGHOHVIXMIA-QGZVFWFLSA-N 433.337 5.273 30 10 IKEE CCOC(=O)c1c(C(C)(C)C)nn(-c2c(F)cccc2C(F)(F)F)c1C(F)(F)F 2079039090 CPJMZBKIZONPMM-UHFFFAOYSA-N 426.332 5.523 30 10 IKEE CC1(c2nn(-c3c(F)cccc3C(F)(F)F)c(Br)c2C(F)(F)F)CC1 2079832334 SGYCIFDQURSOBT-UHFFFAOYSA-N 431.149 5.863 30 10 IKEE CCCc1ccc([C@H](CC)n2nc(C(F)F)c(C#N)c2I)cc1 2079904975 JYBWUJNJNJKQCZ-AWEZNQCLSA-N 429.252 5.249 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Br)c(Cl)c1F 2102880980 VUVHIAMMZLAVEM-WMLDXEAASA-N 447.776 5.199 30 10 IKEE CCn1cnc(Cl)c1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2118679126 DYDYSKNVPTYPFS-AWEZNQCLSA-N 439.741 5.325 30 10 IKEE Cc1c(NC(=O)OC(C)(C)C)cccc1C(=O)N1CCC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2124519822 NOZJNLAVHPJADS-KRWDZBQOSA-N 444.381 5.040 30 10 IKEE CC1(C)CCC[C@]12CSC(=NCc1scc(Br)c1Br)N2 2150561855 JWRKYNWHMKDWPH-AWEZNQCLSA-N 438.254 5.414 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](Nc2cc(Br)cc(C#N)c2)CC12CCCCC2 2162309064 IXFQYBDIODPENX-GOSISDBHSA-N 434.378 5.445 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(C#N)c(Br)c2F)[C@H]1C(C)(C)C 2192488499 QDOPPEMWFJTRHC-PBHICJAKSA-N 440.357 5.296 30 10 IKEE C=CCCCCCCC[C@H](NC)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2214624615 UVSVFNVSILFHEL-NHTMILBNSA-N 432.649 5.990 30 10 IKEE CC(C)(C)OC(=O)N1CCC(C=O)(Cc2c(Br)sc3ccccc23)CC1 2224704178 JOWMSWSKPRNIHW-UHFFFAOYSA-N 438.387 5.423 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)[C@H](CCC)N(C)C(=O)OC(C)(C)C 2235723017 DGQYUFFIRSEYQT-PMACEKPBSA-N 437.422 5.204 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCC(=O)O)c1cc(Br)ccc1Cl 2262206058 HMFAURUANGCIQG-LJQANCHMSA-N 425.706 5.018 30 10 IKEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N(Cc1ccccc1)C1CCCCC1 2267215361 CRONBKOGRHOIBQ-UHFFFAOYSA-N 433.401 5.269 30 10 IKEE C=CC[C@]1(COc2cc(N)cc(Br)c2)CCCN(C(=O)OC(C)(C)C)C1 2272243248 RFXIYAFXFHIEGI-FQEVSTJZSA-N 425.367 5.004 30 10 IKEE C=C(C)C[C@H](OCCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2275759645 DETOLSKFLQEKRX-SANMLTNESA-N 446.543 6.343 30 10 IKEE C=CCc1ccccc1OCCOc1ccc(C=C2SC(=S)N(CC=C)C2=O)cc1 2293205541 AQKNXGWCMBJCMB-UHFFFAOYSA-N 437.586 5.260 30 10 IKEE CC1CCC(CNC(=O)OC(C)(C)C)(C(=O)C#Cc2ccc(Br)cc2)CC1 2296225985 AUEWMSYIHFLHPA-UHFFFAOYSA-N 434.374 5.091 30 10 IKEE CCCCN(C[C@H](C#Cc1ccc(Br)cc1)NCCC)C(=O)OC(C)(C)C 2296300894 NSWBDZFWLGWHOE-FQEVSTJZSA-N 437.422 5.206 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(Cl)cc2)c(OC(=O)c2ccc([N+](=O)[O-])cc2)c1 2296797044 JKITYMNYIXNJLT-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(=C(O)c3cccs3)C(=O)C(=O)N2Cc2cccnc2)cc1 2297747770 RTVNIEMZFPPXBH-OAQYLSRUSA-N 432.545 5.063 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)C2(NC(=O)OC(C)(C)C)CCCC2)cc1 2302428845 OWJDFIFTQMZXMZ-IBGZPJMESA-N 429.561 5.466 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 2302795827 MKZJIQVWGCELMO-WSTZPKSXSA-N 429.561 5.322 30 10 IKEE C=CC[C@@](C)(CC)[C@H](N)c1sc(Br)c(Br)c1Br 2304025635 UUFOXEVMRMBISW-ZYHUDNBSSA-N 446.046 6.028 30 10 IKEE CN(C)c1ccc(C=C2SC(=Nc3ccccc3Cl)NC2=O)cc1Br 2313507247 ADYOEIQEBWONMP-UHFFFAOYSA-N 436.762 5.060 30 10 IKEE O=C1C(=Cc2ccc3c(c2)OCO3)SC(=Nc2ccncc2Cl)N1C1CCCCC1 2314541656 ACJDRQVCUUTNQI-UHFFFAOYSA-N 441.940 5.400 30 10 IKEE COc1ccc(-c2csc(NN=Cc3ccc(OC)c(OC(C)C)c3)n2)cc1OC 2318417860 IIEZYCPNILMPRT-UHFFFAOYSA-N 427.526 5.069 30 10 IKEE Cc1ccccc1CSc1nnc(C)n1N=Cc1ccc(OCc2ccccc2)cc1 2321088325 YGUATOQIJBNTRE-UHFFFAOYSA-N 428.561 5.648 30 10 IKEE COc1cccc(C=C2Oc3cc(OCc4ccc([N+](=O)[O-])cc4)cc(C)c3C2=O)c1OC 2321850147 LIRBPCIFTQQZCO-UHFFFAOYSA-N 447.443 5.116 30 10 IKEE O=C1C(=Cc2ccc(Br)cc2)Oc2cc(OCc3cccc(F)c3)ccc21 2321885951 SNIUDHMXJRIXNB-UHFFFAOYSA-N 425.253 5.783 30 10 IKEE COc1ccc(CN2COc3cc(C)c4c(c3C2)OC(=Cc2sccc2C)C4=O)cc1 2321955306 IOLKCMMZDXMIND-UHFFFAOYSA-N 433.529 5.342 30 10 IKEE Cc1ccc(Cc2nnc(S)n2N=Cc2ccc(OCc3ccc(Cl)cc3)cc2)cc1 2321968425 GZTSOGHFSHOFIH-UHFFFAOYSA-N 448.979 5.581 30 10 IKEE Cc1ccc(COc2cccc(C=Nn3c(S)nnc3Cc3ccc(C)c(C)c3)c2)cc1 2321998511 KSCJTFXRERZBRP-UHFFFAOYSA-N 442.588 5.544 30 10 IKEE C[C@@H]1CCCC[C@H]1N1COc2ccc3c(c2C1)OC(=Cc1ccc(C(C)(C)C)cc1)C3=O 2322146002 LDNILUZAYKPXGV-WZONZLPQSA-N 431.576 6.331 30 10 IKEE CCCCCCCCN1COc2c(cc3c(c2C)OC(=Cc2ccc(Cl)cc2)C3=O)C1 2322415814 UKUIHDIVXAUKIA-UHFFFAOYSA-N 439.983 6.777 30 10 IKEE Cc1cccc(COc2ccc(Br)cc2C=CC(=O)c2ccc(F)cc2F)c1 2322492662 GJOMXSOSKXZWHR-UHFFFAOYSA-N 443.287 6.511 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccccc2OCC(=O)N[C@@H](C)c2ccccc2)c1C 2322833139 YBLILSJUOXJAQR-QHCPKHFHSA-N 441.571 6.073 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2cc(C)cc(C)c2OC)c1OCc1ccccc1 2322853599 GSEJVXXOUFETIY-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OC(=O)C(Cl)=Cc4ccccc4)c3C)C2=O)cc1 2323439297 DJCSLRJKABUKCJ-UHFFFAOYSA-N 446.886 5.805 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)cc1C 2323580474 VIVTYYAHWKDVND-UHFFFAOYSA-N 449.478 5.065 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccc(C)cc1 2323842521 BUEMPNHXDOIMGU-UHFFFAOYSA-N 442.555 6.606 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc(OC(=O)CCc3cccs3)c2C)C1=O 2323978783 AVBYBUBBTAXAAN-UHFFFAOYSA-N 434.513 5.610 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1cccc2ccccc12 2324128366 SKWHMKSHHBWWDF-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OCc3ccccc3)c(Cl)c2)cc1C(C)C 2324262291 NLHHCMZECMIVPH-UHFFFAOYSA-N 434.963 7.256 30 10 IKEE CCCOC(=O)COc1ccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1OC 2324288468 BOWSSMKZPFVGCN-UHFFFAOYSA-N 446.499 5.716 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccc(OCc2ccc(F)cc2)cc1 2324324686 KDQVLBQYADAGOY-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccc(C)o2)C3=O)c(C)c1 2324332737 PFCDASFYUXJDPF-IBGZPJMESA-N 445.515 5.844 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(O[C@H](C)C(=O)Nc4ccccc4)c3C)C2=O)cc1 2324402142 ZPVFOFODYRSMCF-QGZVFWFLSA-N 429.472 5.026 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2ccc(OC)cc2OC)cc1 2324464562 KEFPPFOXOIZVTB-UHFFFAOYSA-N 445.515 5.180 30 10 IKEE O=C1C(=Cc2ccc(F)cc2)Oc2cc(OCCOc3cccc4ccccc34)ccc21 2324693755 RDVXFKYBRBGUOJ-UHFFFAOYSA-N 426.443 6.053 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCc4cc(C)c(C)cc4C)c3C)C2=O)cc1OC 2324765192 CHMBVBWEECJMIQ-UHFFFAOYSA-N 444.527 6.133 30 10 IKEE COc1cc(C=CC(=O)[C@@H](C#N)c2nc(C)cs2)ccc1OCc1ccc(Cl)cc1 2324815581 REJXFWCIIRQGSU-LJQANCHMSA-N 438.936 5.582 30 10 IKEE Cc1cc(OCC(=O)N[C@@H](C)c2ccccc2)cc2c1C(=O)C(=Cc1ccc(F)cc1)O2 2325019779 OCCSOWLVJMKWIT-KRWDZBQOSA-N 431.463 5.007 30 10 IKEE CCCCCOC(=O)COc1cc(C)c2c(c1)OC(=Cc1cn(C)c3ccccc13)C2=O 2325044802 QDPHBLJIXAVFRZ-UHFFFAOYSA-N 433.504 5.215 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1cc(C)c2c(c1)OC(=Cc1cccs1)C2=O 2325092980 QAVHECJBKRWZRN-LJQANCHMSA-N 428.550 5.954 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(Cl)cc2)ccc2c1OC(=Cc1cccs1)C2=O 2325513949 ZNHSUAXEMPJZPJ-UHFFFAOYSA-N 425.893 5.344 30 10 IKEE Cc1ccc(CSc2nnc(C)n2N=Cc2ccc(OC(=O)c3ccccc3)cc2)cc1 2325611021 WQAAGQVQXXKASK-UHFFFAOYSA-N 442.544 5.289 30 10 IKEE O=C(C=Cc1cccc2ccccc12)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2325614020 PNKASKZAMRAHMV-UHFFFAOYSA-N 437.339 6.098 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc1OC(=O)CCCSC 2325763260 SQEZYEZVHVXVSG-UHFFFAOYSA-N 448.968 5.610 30 10 IKEE CCOc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c(Cl)c3)c2)cc1 2325768588 CWDUBRVTPVWAKO-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE CCCCCOc1ccc(C=Nn2c(C)nnc2SCc2ccccc2)cc1OCC 2326211662 HXBWELZEEYVCJM-UHFFFAOYSA-N 438.597 5.729 30 10 IKEE Clc1ccccc1CSc1nncn1N=Cc1ccc(OCc2ccccc2)cc1 2326532826 QTNSITQFNJZPPE-UHFFFAOYSA-N 434.952 5.685 30 10 IKEE Cc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1N=Cc1ccc(C(C)(C)C)cc1 2326867562 RAGLJTDEZHXLCS-UHFFFAOYSA-N 440.569 5.217 30 10 IKEE CCCSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1ccc(OCC)cc1 2327383598 PMKBFDJFACIOAL-UHFFFAOYSA-N 438.597 5.593 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1c(F)cccc1Cl 2327567407 GUGQAZLTBQDBLE-UHFFFAOYSA-N 437.327 5.463 30 10 IKEE COc1ccc(OCc2nnc(SCc3cccc(F)c3)n2N=Cc2ccccc2)cc1 2328360611 SAFNGMILFLRXOA-UHFFFAOYSA-N 448.523 5.179 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccc(C)cc3)n2N=Cc2cccs2)cc1 2328562547 YZNXFBCYGYIFAU-UHFFFAOYSA-N 448.617 5.812 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2ccccn2)cc1 2328563099 FPNWMVBSLBQSJN-UHFFFAOYSA-N 443.576 5.146 30 10 IKEE C(=Nn1c(CCCOc2ccccc2)nnc1SCCc1ccccc1)c1cccs1 2328746623 YQYUOLQIEZWZBL-UHFFFAOYSA-N 448.617 5.568 30 10 IKEE CCCSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1c(Cl)cccc1Cl 2329445651 DZVCHCXSLANRHH-UHFFFAOYSA-N 433.408 6.177 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccccc3Cl)n2N=Cc2ccncc2)c1 2329576793 BNVCTPBNVJJVKN-UHFFFAOYSA-N 433.968 5.785 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3F)n2N=Cc2ccc(O)cc2)c1 2329750438 VQXHJTHZIYXHCE-UHFFFAOYSA-N 446.551 5.505 30 10 IKEE COc1cccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCc2ccc(C)cc2)c1 2329795580 QTIQEDAVYGLOOS-UHFFFAOYSA-N 446.551 5.500 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2-c2ccccc2)cc1 2330649164 NKJZYCATIPSUNV-UHFFFAOYSA-N 446.551 6.048 30 10 IKEE O=[N+]([O-])c1ccc(C=Nn2c(SCCc3ccccc3)nnc2-c2ccccc2)cc1 2330675065 DSTFSOKKWIYEGZ-UHFFFAOYSA-N 429.505 5.070 30 10 IKEE O=C(Cc1ccccc1Cl)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1 2330804441 IGCFKVLBXZNUMA-UHFFFAOYSA-N 445.729 6.691 30 10 IKEE Clc1ccccc1CSc1nnc([C@@H]2CCCO2)n1N=Cc1cccc2ccccc12 2330965799 QDNVHGIXDNVVOW-QFIPXVFZSA-N 448.979 6.111 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)cc2)cc(OC)c1OC(=O)CC1CCCCC1 2330980244 LQXWTOTURUCQRK-UHFFFAOYSA-N 448.559 6.204 30 10 IKEE O=C(COc1ccc(Cl)cc1)Oc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2331017994 DSOLXLZTWQVZND-UHFFFAOYSA-N 437.835 5.129 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 2331149674 VRZACSOJIQNOHH-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccs3)c(OCC)c2)cc1 2331309031 OYGPHXWBJQCWBJ-UHFFFAOYSA-N 436.529 6.051 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(-c4ccccc4)cc3)cc2)c1 2331313500 NPWWAGMULIQNTG-UHFFFAOYSA-N 432.519 7.086 30 10 IKEE COCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccccc1Cl 2331313577 WTLGDWDQALBMKM-UHFFFAOYSA-N 439.343 5.087 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)Cc2ccc(F)cc2)c(Cl)c1 2331358495 DMILKLXEXIIBPZ-UHFFFAOYSA-N 438.882 5.840 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCc3cccc4ccccc34)nnc2C(C)(C)C)c1 2331402795 RQOSROPZFRTRAE-UHFFFAOYSA-N 430.577 5.917 30 10 IKEE CCc1ccc(C(=O)Oc2c(Cl)cc(C=CC(=O)c3ccc(F)cc3)cc2OC)cc1 2331512193 MRKFGOIASCNCLY-UHFFFAOYSA-N 438.882 6.165 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(C3CCC3)n2N=Cc2ccccc2Cl)o1 2331512394 DNYLIDFPILUMRS-UHFFFAOYSA-N 444.944 5.143 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CCC2)c1 2331527630 MEAXBYKIVFPANU-UHFFFAOYSA-N 426.973 5.772 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)C1CCCC1 2331569588 XYRDUTQSRXQXMU-UHFFFAOYSA-N 426.459 5.694 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)c1ccc(C)cc1 2331630808 XAMCLMUOMITGKV-UHFFFAOYSA-N 430.500 5.744 30 10 IKEE COc1cc(C(=O)C=Cc2ccc(OC(=O)c3cncc(C)c3)cc2)c(OC)cc1Cl 2331687391 CLMNZJIBLOKDDD-UHFFFAOYSA-N 437.879 5.176 30 10 IKEE Cc1cc(-n2nnc(C#N)c2NC(=O)C(=Cc2ccccc2)c2ccccc2)ccc1Cl 2332188771 VQJXYJRIOXRUMK-UHFFFAOYSA-N 439.906 5.280 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2c(Cl)ccc(Cl)c2Cl)c1 2364579478 AYNFUBVEQDRKCQ-MRXNPFEDSA-N 425.743 6.962 30 10 IKEE CCCN[C@H](C#C[C@H]1CC1(C)C)c1cc(I)ccc1Br 2365070152 HXSKECYVXGNDDU-BLLLJJGKSA-N 446.170 5.144 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CCC(=O)C#Cc2cccc(Br)c2)C1(C)C 2370401631 LGKFRSHREPHJPG-LPHOPBHVSA-N 434.374 5.089 30 10 IKEE C=CCN(C(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1)c1ccccc1 9433152 SNTCFGIOXNQWRE-RPBOFIJWSA-N 444.600 5.904 30 10 IKEE Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3Cl)C(C#N)(C#N)[C@@H]3C=Cc4ccccc4N23)cc1 20072385 BYXZAQQCRJRABN-NXCFDTQHSA-N 449.941 5.933 30 10 IKEE CCc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2c[nH]c3ccccc23)cc1 20882597 PPPXKBJKTJNFHZ-AFJIDDCJSA-N 433.555 6.710 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccs2)cc1 21226767 MKBAHUZRQGVOGO-WXTAPIANSA-N 430.573 6.516 30 10 IKEE C=CCn1c(SCC(=O)N(C(C)C)C(C)C)nc2sc(-c3ccccc3)cc2c1=O 23559852 ATVNSGIBIIXAJA-UHFFFAOYSA-N 441.622 5.049 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)NCCc2nc(-c3ccc(OC)cc3)cs2)c1 31848860 SAYDJGMGVLWZHB-UHFFFAOYSA-N 435.593 5.629 30 10 IKEE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C)C2=O)cc1C 33431847 OVFOKMZBDXPYLK-KGENOOAVSA-N 447.585 5.244 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Br)cc2)ccc1OC(=O)c1ccccc1 34954731 WBVYCBTZOBMOHM-NTUHNPAUSA-N 437.289 5.573 30 10 IKEE C=CCOc1ccc(/C=C2\S/C(=N/c3ccc(F)cc3)NC2=O)cc1Br 35177478 HIUSDHPZIPAHDY-BOPFTXTBSA-N 433.302 5.045 30 10 IKEE C=C[C@@](C)(O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)CC1CC1 36308831 KAGCFBDVDCENSY-AREMUKBSSA-N 435.543 5.168 30 10 IKEE COc1ccccc1/C=C1\S/C(=N/c2ccncc2Cl)N(C2CCCCC2)C1=O 39864576 LGMCVDLFLUIGOF-HCNWTGQWSA-N 427.957 5.680 30 10 IKEE Cc1ccc(-c2c(C)sc3ncnc(NCCC(=O)Nc4cccc(C#N)c4)c23)cc1 71529502 WVMAQOASNZZWLE-UHFFFAOYSA-N 427.533 5.288 30 10 IKEE C=C(CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]1CC[C@H]1[C@H]2CC[C@@H]2C(C)(C)[C@@H](O)CC[C@]12C 87493060 XTMCMWDQTSZMIH-JSJOAQFKSA-N 446.716 6.111 30 10 IKEE COc1cc(C(=O)/C=C\c2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)ccc1O 96792767 PKYMNHSMEASGPH-TWGQIWQCSA-N 425.824 5.651 30 10 IKEE CCCCCCCCCCCCCCCCNCC(=O)Nc1cccc(OCCC)c1 100055745 SLLSSNKAKGHKRJ-UHFFFAOYSA-N 432.693 7.485 30 10 IKEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(Cl)cc2)cc1 102535534 YFTNJXYEULJUHS-HQMFNGAOSA-N 438.936 5.348 30 10 IKEE COc1ccc(/C=C2/Oc3cc(OC/C=C/c4ccccc4)ccc3C2=O)c(OC)c1OC 103023772 NIFKPOIFZVZXBG-USOSQLFRSA-N 444.483 5.421 30 10 IKEE COc1ccc(-c2cc(=O)[nH]c(N/N=C\c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)n2)cc1 169897143 NHTHXNSUMXFNRJ-DICXZTSXSA-N 448.567 5.192 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@H]2c2ccccn2)c1 169993123 HBMGAXWMEDYXPO-NRFANRHFSA-N 436.870 5.274 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2cccs2)=C(N2C[C@H](C)O[C@H](C)C2)C1=O 170017646 SITCQJUPEFMSGB-KDURUIRLSA-N 432.630 5.078 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2ccccc2)c1 170047122 CWVGJJODEJQGQI-XMMPIXPASA-N 443.499 5.267 30 10 IKEE N#Cc1ccc(N2C(=O)C(SCc3ccccc3)=C(c3ccc(Cl)cc3)C2=O)cc1 170072652 DOMVMQNTQBVUGZ-UHFFFAOYSA-N 430.916 5.430 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cc(OC)ccc3Cl)=C(O)C(=O)N2c2ccccc2)c1 170118089 QRMRNUFFOMSLOF-JOCHJYFZSA-N 449.890 5.140 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C2CCCC2)c1 170121455 WTXKAIXLMQECBM-DEOSSOPVSA-N 427.500 5.369 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccc(C)c2)c1 170140474 HZCYIUDQKQXVDW-XMMPIXPASA-N 445.490 5.706 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccc(C)c2)cc1 170142490 VXNIQLZWVDFYNK-DEOSSOPVSA-N 438.483 5.048 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2Cc2cccnc2)c1 170144649 LLXZFAIDJVRIMT-VWLOTQADSA-N 434.495 5.322 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@@H]1c1cccc(OC(C)C)c1 170153630 PVKAYDHWODHLQU-QHCPKHFHSA-N 437.536 5.169 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@H]1c1cccnc1 170190234 WBEUHIRFZISZGP-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@@H]1c1ccncc1 170202869 NCUALPQNKQQYHU-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccncc1 170209224 JRQHZXCFBUDTSB-HSZRJFAPSA-N 448.563 5.299 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@H]1c1cccc(OCC)c1 170217626 MTDPVARLTGUWFD-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccccc2)c1 170224807 MRLWHDOHMQEXII-XMMPIXPASA-N 443.499 5.267 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccccc2)cc1 170227075 OTPAZBUIHBLNLA-DEOSSOPVSA-N 427.500 5.565 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(F)cc1)c1cccc(Cl)c1 170237346 CZWMGKIZLCZRGH-LJQANCHMSA-N 427.884 5.319 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@H]1c1ccc(CC)cc1 170268123 SUNVYOIGOGZPFD-HXUWFJFHSA-N 427.928 5.208 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@@H]1c1ccccc1C 170276589 VGWVVRIVRHTAQE-DEOSSOPVSA-N 435.564 5.896 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2ccco2)c(C)c1 170283854 YLJAVIHGEULYDT-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3c(c2)C[C@H](C)O3)=C(O)C(=O)N1c1ccc(F)cc1 170314062 QBWGTSIKUBEDGH-QKKBWIMNSA-N 449.503 5.302 30 10 IKEE CC(C)C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1cccc(Oc2ccccc2)c1 170455801 DNMDCMOXEOJGEU-QHCPKHFHSA-N 431.463 5.743 30 10 IKEE CCCCc1ccc(S(=O)(=O)Oc2ccc(N=Cc3ccc4c(c3)OCO4)cc2)cc1 254626544 GPKGNJXKKOCGFY-UHFFFAOYSA-N 437.517 5.276 30 10 IKEE CCc1cccc(C)c1NC(=S)NN=C1C(=O)N(Cc2cccc(C)c2)c2ccccc21 254870504 ZNCQIBOGSUSJIL-UHFFFAOYSA-N 442.588 5.103 30 10 IKEE CCCCCCCC[C@@H](NCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 406748115 JZNARRJLRQHGPC-HXUWFJFHSA-N 441.454 7.197 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(C)c(Br)c1)NCCC 407919776 BFBSYTBMGIKQHG-RBUKOAKNSA-N 425.411 5.138 30 10 IKEE CC(C)c1ccc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526488195 KTXIOCULRGCKRP-XMMPIXPASA-N 428.919 6.392 30 10 IKEE CCOc1cccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccc(F)cc2)c1 526803365 YQCOLMOQEOEBBH-PKAZHMFMSA-N 446.551 5.581 30 10 IKEE COc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 586157177 XSUWNODWFYAFBG-KRWDZBQOSA-N 440.952 5.172 30 10 IKEE Cc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2ccc(OCC(C)C)cc2)cc1C 586211036 KUDQIPBRFARHBZ-UHFFFAOYSA-N 448.588 5.605 30 10 IKEE C=C(C)CN(c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1cc(Cl)ccc1OC 586258592 PWCITKCRWCKPMQ-UHFFFAOYSA-N 435.851 5.019 30 10 IKEE C=C(C)[C@@H]1CC[C@]2(N)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 642771855 LFFIGVILMHWICE-VOHOXEQGSA-N 425.701 6.924 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@](C)(C#N)Cc1ccc(Br)cc1 698403464 CFAIQDUGHJOMLD-JOCHJYFZSA-N 429.358 5.711 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1cccc(Cl)c1Br 719727280 WLLHMQXCXQBTTE-QGZVFWFLSA-N 435.749 6.417 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=Nc1ccccn1 1772732102 UBQGJJSXUNPIQR-NSMWAFFQSA-N 432.461 5.040 30 10 IKEE Cc1nc(SCC(=O)Nc2ccc(C#N)cc2)nc(O)c1-c1ccc(Cl)c(Cl)c1 1858517836 VHKINXDPZQXYQF-UHFFFAOYSA-N 445.331 5.067 30 10 IKEE N#Cc1ccccc1NC(=O)Oc1ccc(CNC(=O)CCCc2ccc(Cl)cc2)cc1 1858907699 ZJXXERUBWXBSRT-UHFFFAOYSA-N 447.922 5.462 30 10 IKEE Cc1ccc(Cn2nc(C(=O)Nc3ccc(C#N)cc3)cc2-c2cccc3c2CCCC3)cc1 1859394400 KQTLVFZUUVVJSD-UHFFFAOYSA-N 446.554 5.910 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)c1cc(Cl)ccc1Cl 1861764189 GKPZVYQOTACHER-QFIPXVFZSA-N 429.432 6.149 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(Cl)cc1Cl 1862415782 GGTPFUVEFCYMMX-KRWDZBQOSA-N 426.246 5.260 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(Cl)cc2)[C@H]1c1ccccc1)c1ccccc1Cl 1862429952 YMDPFGCUTCVQCT-NRFANRHFSA-N 438.310 5.772 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc2ccccc12 1862481072 WIPGMOHRALPTMA-DEOSSOPVSA-N 429.516 5.153 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CC(C)C)c1 1862512009 RQGSXBFFJRMSSA-QFIPXVFZSA-N 425.500 5.157 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 1862536035 PJDIMVSZYWJYKA-XDHUDOTRSA-N 445.946 6.242 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2C2CCCCC2)c1 1862537589 YZIMHBLFRDKDJT-VWLOTQADSA-N 447.575 5.949 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2ccccc2)cc1 1862589936 XBXVRUAABXWDTR-OSPHWJPCSA-N 427.500 5.294 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C2CCCCCCC2)c1 1862591335 HEBBJWCOBMPMMV-QHCPKHFHSA-N 435.520 5.092 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc2cc[nH]c2c1 1862616493 SMQKNLGAEOOWFE-XMMPIXPASA-N 444.575 6.090 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccc1 1862648662 HRBMLYFQBDQEGW-AREMUKBSSA-N 441.571 6.779 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(CC)cc1 1862663504 SKABUUPBSVKEAU-VWLOTQADSA-N 433.592 6.531 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2C(=O)O)cc1 1862663832 CGXSMHDXHXCPPJ-HSZRJFAPSA-N 447.531 5.419 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1 1862721642 HLEGHXWOEACNRJ-AREMUKBSSA-N 446.506 5.527 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(Cl)c1 1862744749 UAQUPAGOUJRFBD-BBATYDOGSA-N 449.290 5.278 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3cccc4c3CCCC4)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1863029938 NYABCPSNEYTFCE-UHFFFAOYSA-N 447.538 5.451 30 10 IKEE Cc1cc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(F)cc3Cl)C2=O)ccc1F 1863098120 JDXDKMTVPDHLJT-UHFFFAOYSA-N 449.844 5.195 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(Nc3ccccc3C#N)=C(c3ccccc3F)C2=O)cc1 1863306013 MIGLIGBVQASRLU-KRWDZBQOSA-N 439.490 5.213 30 10 IKEE CCC[C@@H](NC(=O)C[C@H](c1ccc(Cl)cc1)C(C)C)C(=O)Nc1ccccc1C#N 1866760400 DUMDDXJYDFAXGN-RBBKRZOGSA-N 425.960 5.265 30 10 IKEE C/C(=C\c1cccc(Cl)c1)C(=O)N[C@@H](C(=O)Nc1ccccc1C#N)c1ccccc1 1866819322 JBJWIPNOVDHAIS-AKXFXYSNSA-N 429.907 5.111 30 10 IKEE CC[C@H]1Cc2cc(OC)ccc2N(c2cc(Nc3cccc(C#N)c3)nc(CCOC)n2)C1 1868247233 XOTBCZDFVUKJAN-SFHVURJKSA-N 443.551 5.010 30 10 IKEE C[C@H]1CN(c2cc(Nc3ccc(C#N)cc3)nc(C(C)(C)C)n2)C[C@@H](c2ccc(F)cc2)O1 1868355216 BIQFSQHGSLFBIQ-JTSKRJEESA-N 445.542 5.495 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N(CC)CCc2ccncc2)nn1-c1ccccc1 1870029973 WYTWFJCUEQSRLZ-UHFFFAOYSA-N 448.615 5.420 30 10 IKEE C=CCOc1cn(Cc2ccccc2Cl)c(CNc2ccc(OC)c(Cl)c2)cc1=O 1870809896 ATPZNAPMGCTNIK-UHFFFAOYSA-N 445.346 5.389 30 10 IKEE CCCCCCCOc1cn(CCCN(CC)CC)c(CNc2cccc(F)c2)cc1=O 1870837358 BPQHULXKWBOMQL-UHFFFAOYSA-N 445.623 5.681 30 10 IKEE CCCCCCCCCCn1cc(OCCCO)c(=O)cc1CNc1cccc(C)c1C 1871265916 VDIWZWRMTCUNNC-UHFFFAOYSA-N 442.644 5.979 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2C)C3=O)cc1 1871366458 GOJVRITVCCDZSM-IWIPYMOSSA-N 444.483 5.303 30 10 IKEE Cc1nc2ccc(C(=O)Oc3ccc4c(c3)O/C(=C\c3ccc(F)cc3)C4=O)cc2nc1C 1871379480 SPAIJSXDUCKZNK-MYKKPKGFSA-N 440.430 5.221 30 10 IKEE C=CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)c1 1871389834 QGMWTIGLDZMUKG-KIKGYRQASA-N 438.479 5.951 30 10 IKEE Cc1ccc(OCCCOc2ccc3c(c2C)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)cc1 1871407111 WSYKWXPFVDRHCG-JLPGSUDCSA-N 445.471 5.676 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3cc(OCCC(=O)Nc4ccccc4)ccc3C2=O)cc1 1871446557 DQJACXSYESIHKG-XYGWBWBKSA-N 427.500 5.834 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccc(Cl)cc2)C3=O)c1C 1871459571 QXLKMOSOPUBPST-QRVIBDJDSA-N 447.918 5.899 30 10 IKEE CC(C)(C)c1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4F)ccc3C2=O)cc1 1871460176 ZCNPVCVPHOWEKO-OYKKKHCWSA-N 445.490 5.757 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H](C)CC)S(=O)(=O)CCCC 1871799455 VHYSWQMZRSKISF-KXBFYZLASA-N 449.444 5.355 30 10 IKEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1ccccc1 1871827782 YAKBGZBQZMTKKN-HSZRJFAPSA-N 428.598 5.013 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4ccccc4)cc3)n2)c1C 1872778269 HONNMFRYDOWHSE-DEOSSOPVSA-N 436.580 7.201 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3Br)n2)c(C)c1C 1872778933 XSWPECJNDAUSCD-INIZCTEOSA-N 441.350 5.688 30 10 IKEE Cc1cc(C)c(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)cc3[N+](=O)[O-])n2)c(C)c1 1872785589 QMEGAZSHQUEGBT-MRXNPFEDSA-N 425.897 5.787 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccccc3[N+](=O)[O-])n2)c2ccccc12 1872788039 VXUIZOLDCNVJGN-LJQANCHMSA-N 443.484 5.299 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@@H](C#N)C(=O)[C@@H](C)Oc2ccc(Cl)cc2)n1 1872788314 GVDXSXXACCKUDY-PXAZEXFGSA-N 447.343 5.769 30 10 IKEE C=CCN(CC=C)C(=O)c1ccc2nc(SCCOc3ccc(C(C)(C)C)cc3)[nH]c2c1 1872816375 GGWVKGNENDHHTD-UHFFFAOYSA-N 449.620 5.846 30 10 IKEE C=CCc1ccccc1OCc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 1872858907 APUBJSRWPNXOPP-UHFFFAOYSA-N 427.422 6.145 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(N(C)C)cc2)=C(c2ccccc2)C1=O 1873412931 CXOFSTQCVLSVIP-UHFFFAOYSA-N 447.623 6.085 30 10 IKEE C=CCOc1ccccc1OCc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 1873511595 JPZPGCTXKNOCGT-UHFFFAOYSA-N 439.342 6.535 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C)c2C)cc2c(N(C)Cc3ccccc3)ncnc21 1873660193 DYNDXZZXLDNDAY-UHFFFAOYSA-N 425.536 5.123 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](C)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3 1873935487 SAIFRUCZRVJJAC-QGZVFWFLSA-N 448.003 5.959 30 10 IKEE CCSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1ccc(F)cc1 1874206372 YIYWCWXGNYCJST-LSHDLFTRSA-N 425.316 5.297 30 10 IKEE CCCOc1ccccc1/C=N/n1c(COc2ccccc2OCC)nnc1SCC 1874240890 DUMMNZNCZQXGJU-LFVJCYFKSA-N 440.569 5.039 30 10 IKEE Cc1ccc(C)c(OCc2nnc(SCCc3ccccc3)n2/N=C/c2ccc[nH]2)c1C 1874256031 LQAHQCWEYARZAB-JVWAILMASA-N 445.592 5.327 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccc(Cl)cc3)n2/N=C/c2ccco2)c1 1874263741 OEWHHFWHLYMAMH-ZMOGYAJESA-N 438.940 5.586 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1cn(C)c2ccccc12 1874264750 NKYAQEBWGLYWLC-ZMOGYAJESA-N 437.956 5.163 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1cc(Cl)ccc1O 1874265420 WQBXTILXMSDMPT-AUEPDCJTSA-N 449.363 5.420 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1cn(C)c2ccccc12 1874287530 JSTYZDJGZIWROC-YZSQISJMSA-N 435.641 6.394 30 10 IKEE CCc1ccc(/C=N/n2c(Cc3ccc(OC)cc3)nnc2SCc2ccccc2)cc1 1874349677 YAJMCMZGZJBRBQ-OVVQPSECSA-N 442.588 5.614 30 10 IKEE Cc1ccccc1/C=N/n1c(COCc2ccccc2)nnc1SCc1ccc(F)cc1 1874352855 FGHLDRYGLDUEQB-JFLMPSFJSA-N 446.551 5.617 30 10 IKEE CCCSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1ccc(OCC)c(OCC)c1 1874380858 OBIYYIUXTCQGJN-PCLIKHOPSA-N 442.560 5.190 30 10 IKEE COc1ccccc1/C=N/n1c(COc2ccccc2)nnc1SCc1ccc(F)cc1 1874383867 LYNWNTSNGRUZIZ-CVKSISIWSA-N 448.523 5.179 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2[C@@H](C)c2ccccc2)c1 1874395147 FDUXERROVLQLLL-YGYFLSRZSA-N 440.616 6.530 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@H](C)c3ccccc3)n2/N=C/c2cccn2C)c1 1874398777 DTSONAVFTCEBCE-RHKYMZEHSA-N 429.593 5.560 30 10 IKEE Clc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C/c2ccccn2)cc1 1874404845 RUNMRVRSLSKBJD-WGOQTCKBSA-N 433.968 5.286 30 10 IKEE CC(C)(C)c1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2[C@H]2CCCO2)cc1 1874442915 NTWFNZBDDKTDFD-YNYZQSIGSA-N 438.572 5.741 30 10 IKEE C=C(C)CSc1nnc(C(F)(F)F)n1/N=C/c1cccc(OCc2ccccc2)c1 1874459980 GHKMUPDXEFVVGI-BRJLIKDPSA-N 432.471 5.426 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874479657 LBCJNXSLTPNVRR-WSDLNYQXSA-N 445.932 5.062 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCC3)n2/N=C/c2ccc(C(C)(C)C)cc2)c1 1874495793 FUXLTTTWQFAQBG-JVWAILMASA-N 432.637 6.634 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C2CCC2)cc1 1874499199 KXKRZWBFMQSCAS-DHRITJCHSA-N 428.964 6.075 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/n2c(S)nnc2COC)cc1OCC 1874558331 AJIPWNJZHRLAPZ-XQNSMLJCSA-N 434.606 5.124 30 10 IKEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1ccccc1Cl)NCc1ccccc1 1874574990 PCHICTIJXZVNRX-ZRDIBKRKSA-N 440.326 5.585 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2ccccc2OCc2ccccc2F)cc1Cl 1874588151 CKZNRFCXALHNHP-VAWYXSNFSA-N 426.871 5.971 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)N[C@H](C)c3ccccc3)c2)cc1C 1874593452 KMUKYVLKYMAGSY-CMQXMCPJSA-N 429.516 5.156 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 1874606301 HERSOEIQSOGEJI-OQLLNIDSSA-N 449.934 7.066 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OCc1cccc2ccccc12 1874614229 LOTBADJEMHNGHM-MHWRWJLKSA-N 442.942 7.367 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OCc3nc(O)c4ccccc4n3)c(Cl)c2)c1 1874617920 ABVRHJQGJQUUPN-PKNBQFBNSA-N 444.918 6.081 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 1874624120 MYALELVVZGIIHM-NTUHNPAUSA-N 425.355 7.592 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)cc(Br)c1OC 1874628383 ASCKZJHHCZJIRC-SNAWJCMRSA-N 446.124 5.678 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(C)c3)c(Cl)c2)cc1Cl 1874636341 WMOQIINBEBARRP-RMKNXTFCSA-N 427.327 6.786 30 10 IKEE O=C(CC12CC3CC(CC(C3)C1)C2)Oc1cccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1 1874692316 AAXYLBHSVFOWRR-BQYQJAHWSA-N 445.515 6.003 30 10 IKEE O=C(COc1ccc(Cl)cc1)Oc1cccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1 1874692367 BYKWPPFRTYRKGJ-KPKJPENVSA-N 437.835 5.129 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccccc2Cl)c1 1874715341 PAYGPCRTGKIRPA-ZHACJKMWSA-N 441.310 6.426 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3ccccc3)c(OC)c2)c1 1875104077 FFKOPLWJHRDXMT-FYWRMAATSA-N 446.499 5.365 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3ccccc3)c(OC)c2)cc1C 1875107525 UYFGDSVSYNYYFI-ZRDIBKRKSA-N 432.472 5.136 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@H]2CCCO2)c(Cl)c1)c1ccc(Br)cc1 1875109739 CHKXNYVQABGURE-JFKHNGDKSA-N 435.701 5.083 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)cc([N+](=O)[O-])c1OC(=O)c1ccco1 1875111697 IQWRHWSETTZNCD-MDZDMXLPSA-N 441.823 5.355 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1 1875117423 DVVNKCMCXNUYMS-SDNWHVSQSA-N 437.289 5.573 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)c(F)c2)c(Br)c1)c1ccccc1 1875127946 GSXQNYGIZWBNMI-UXBLZVDNSA-N 443.243 5.843 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2sccc2C)c([N+](=O)[O-])c1 1875143355 VXEQICYYYXKZAO-FNORWQNLSA-N 437.473 5.397 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 1875156298 SRPBIDXPSIWHMD-UFWORHAWSA-N 426.556 7.223 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc([N+](=O)[O-])c1OC(=O)C(C)C 1875157296 XVQFQPZSIOMTFD-KPKJPENVSA-N 425.481 5.574 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccco3)c([N+](=O)[O-])c2)cc1C(C)C 1875162846 NWNWEYUJRYTXMH-VQHVLOKHSA-N 449.459 5.744 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)C1CCC1 1875183043 IAXRZZDCKNCORP-MDZDMXLPSA-N 426.940 6.266 30 10 IKEE CN[C@@H](C#Cc1ccccc1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875660385 JDZRLGMGPLGMMI-NDEPHWFRSA-N 433.551 6.157 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC[C@](C#N)(N(Cc3ccccc3)C(=O)OC(C)(C)C)C2)C1 1888647096 NGDAAUQDIHVUCL-VWLOTQADSA-N 441.572 5.107 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(Oc4nccs4)cc3)cc21 1890945484 FEJQZUDWMOMWFI-UHFFFAOYSA-N 449.532 5.125 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)C1CC(F)(F)C1 1922087562 ZKSRTCQMJKIRAB-SFTDATJTSA-N 438.559 5.066 30 10 IKEE CC[C@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 2014642162 BTDLAJTWJLEKSU-JPYJTQIMSA-N 449.979 5.763 30 10 IKEE C=C1CCC(C[C@@H](C[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)NCCC)CC1 2035472188 YVROVDBGCSNWCF-DQEYMECFSA-N 444.660 5.991 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)CC12CC2 2037540329 IJXZTDGZDYUOFU-XMMPIXPASA-N 445.535 5.393 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@](C#N)(N(C(=O)OC(C)(C)C)c3cccc(F)c3)C[C@H]2C1 2040975780 APQPKSBJHORXQE-XHNJZIHCSA-N 445.535 5.106 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H]1C[C@@H]2CCCC[C@@H]2N(C(=O)OC(C)(C)C)C1 2058996517 SGBKAEWXUQFFQS-NDBXHCKUSA-N 442.644 5.553 30 10 IKEE CCCc1ccc([C@H](C(C)C)n2nc(C(C)(C)C)c(C#N)c2I)cc1 2079880142 BTQGSDKZIFYGJH-SFHVURJKSA-N 449.380 5.855 30 10 IKEE CC(C)c1ccc([C@@H](C2CCC2)n2nc(C(C)(C)C)c(C=NO)c2Br)cc1 2079983210 YXAMAXWRGMINDH-LJQANCHMSA-N 432.406 6.264 30 10 IKEE CC(C)C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1Nc1ccc(Br)cc1C#N 2149853416 UFFLAQIUZCKWET-LPHOPBHVSA-N 436.394 5.404 30 10 IKEE CN[C@@H](CC#CC1CCCCC1)c1ccc(I)c(Br)c1 2149857357 HXGPIHPHDGGTKH-KRWDZBQOSA-N 446.170 5.288 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(C)cc(Br)c1F 2159124465 HURKSNGWZHNKAA-IEBWSBKVSA-N 441.385 5.244 30 10 IKEE CN(Cc1ccccc1Nc1cc(Br)cc(F)c1C#N)C(=O)OC(C)(C)C 2163706262 CXLDPJIAFYVYMK-UHFFFAOYSA-N 434.309 5.570 30 10 IKEE C[C@@H]1CCCN(c2ccc(Br)cc2C#N)[C@H]1CCCNC(=O)OC(C)(C)C 2174807607 DOQNXFMBYGYMJE-QAPCUYQASA-N 436.394 5.231 30 10 IKEE Cc1cc(C(=O)Nc2ccc(Br)cc2C#N)ccc1NC(=O)OC(C)(C)C 2181133450 SWMXUOWJXHFHCT-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)[C@@H]1C[C@H]1C1CCCCC1 2200286078 ZHWHVOJEKXERBO-XUVXKRRUSA-N 433.390 6.299 30 10 IKEE N#C[C@@H](C(=O)c1csc(Br)c1Br)c1ccc(F)c(Cl)c1 2233389708 UINLVUQXXTVYBK-SSDOTTSWSA-N 437.515 5.556 30 10 IKEE C=CCCCCC[C@@H](NC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237403854 ZPIOJWAAOLGKHA-UXHICEINSA-N 439.438 5.609 30 10 IKEE CC#CCCC[C@H](NCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237408033 ZIXBIAARXVCSIR-VQTJNVASSA-N 437.422 5.057 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N(Cc1ccccc1)c1ccccc1 2267242384 SWZYXUVXFUIIKH-UHFFFAOYSA-N 427.353 5.141 30 10 IKEE C=C(C)CCCC[C@@H](NCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2271834559 HBYNRPWSOAENKN-GOSISDBHSA-N 425.411 6.583 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCC(=O)O)c1ccc(Cl)c(Br)c1F 2275813654 ZGVIGEUVEUOLND-IBGZPJMESA-N 443.696 5.157 30 10 IKEE CC(C)(C)C#C[C@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2276877778 NQLAHDGBBGJMTO-SANMLTNESA-N 443.587 5.911 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](Nc2ccc(C#N)c(Br)c2)C[C@H]2CCCC[C@H]21 2279522007 MLLDLLZAYGBUEV-LSBZLQRGSA-N 434.378 5.301 30 10 IKEE CC1(C)OB(c2ccc3nccc(N(Cc4ccccc4)C4CCCCC4)c3c2)OC1(C)C 2285397351 FZRIUZUYKFAGBD-UHFFFAOYSA-N 442.412 5.873 30 10 IKEE Cc1ccc(N=C2SC(=C3Sc4ccccc4N3C)C(=O)N2C2CCCCC2)c(C)c1 2295172599 IOOUDWXTOUJXHG-UHFFFAOYSA-N 449.645 6.610 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)CCN(CCC)C(=O)OC(C)(C)C 2296282271 UUIHNTAXINPIQF-HXUWFJFHSA-N 437.422 5.206 30 10 IKEE COc1cc(C=C2SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc(Cl)c1O 2296466074 RNUUUNQDFWLRLC-UHFFFAOYSA-N 436.920 5.863 30 10 IKEE O=C(C=CC1=NN(c2ccccc2)[C@@H](c2ccccc2)C1)c1ccc(Br)cc1 2297212649 SHRIWFBMSXEZQC-HSZRJFAPSA-N 431.333 6.196 30 10 IKEE CCOc1ccc2oc(C)c(C(=O)Oc3ccc4c(c3)OC(=Cc3ccccc3)C4=O)c2c1 2314438550 WVDSHKNXBTWCAD-UHFFFAOYSA-N 440.451 5.975 30 10 IKEE CC[C@]1(C)N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2315232244 SQVOUZAEHKCVJQ-BJKOFHAPSA-N 447.551 5.639 30 10 IKEE CCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1c(O)ccc2ccccc12 2318571194 FDFPMMQKLSIYEP-UHFFFAOYSA-N 427.533 5.136 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1N=Cc1c(OC)ccc2ccccc12 2318574246 IIVFVNBFZTYRPJ-UHFFFAOYSA-N 444.604 6.265 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccccc1Cl)O3)CN(Cc1ccc(F)cc1)CO2 2322052149 XICVZVVSWDVORB-UHFFFAOYSA-N 435.882 5.756 30 10 IKEE CCCCC[C@H](CC)N1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(OCC)cc1)C3=O 2322075875 SUQLCOLOBVFQHL-NRFANRHFSA-N 449.591 6.521 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(C(C)C)cc1)C3=O)CN(CCC1=CCCCC1)CO2 2322377366 VAZNDPBCPRVFCZ-UHFFFAOYSA-N 443.587 6.777 30 10 IKEE COc1ccc(C=C2Oc3c(cc4c(c3C)OCN([C@@H]3CCCC[C@H]3C)C4)C2=O)c(OC)c1 2322391631 GTVRCVOSKIMBGP-OPAMFIHVSA-N 449.547 5.359 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccccc2OCC(=O)N[C@@H](C)c2ccccc2)cc1C 2322981362 AEQCSAGEPRZBMT-NRFANRHFSA-N 443.543 5.464 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1c(OCc2ccccc2C)ccc2ccccc12 2323022504 MTLQWTOPLMCEBA-UHFFFAOYSA-N 442.942 7.285 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cc(Cl)ccc1OCc1ccc(C)cc1 2323022799 MDEQOJSMKJVGJA-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)CCCOc4ccccc4)ccc3C2=O)cc1 2323177794 RYZPPRYTQQATBR-UHFFFAOYSA-N 428.484 5.630 30 10 IKEE Cc1cc(OC(=O)CCCOc2ccccc2)cc2c1C(=O)C(=Cc1ccc(F)cc1)O2 2323178133 MCHANDHFFNWBKT-UHFFFAOYSA-N 432.447 5.515 30 10 IKEE Cc1c(OC(=O)c2ccc(C=CC(=O)O)cc2)ccc2c1OC(=Cc1ccccc1F)C2=O 2323613303 OZJIMKXNCJXZPO-UHFFFAOYSA-N 444.414 5.067 30 10 IKEE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)cc1 2323813061 UDAMTWTXQKVEHQ-UHFFFAOYSA-N 443.499 5.375 30 10 IKEE COc1ccccc1-c1csc(NN=Cc2cccc(OCc3ccc(Cl)cc3)c2)n1 2323839903 MIGFRGYEOYLEGY-UHFFFAOYSA-N 449.963 6.497 30 10 IKEE CCCCCCOc1ccc(C=NNc2nc(-c3cccc(OC)c3)cs2)cc1OC 2323854440 BIDFMJGWFQVSAS-UHFFFAOYSA-N 439.581 6.232 30 10 IKEE C=CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=CC=Cc2ccccc2)C3=O)c1 2323858195 QGMWTIGLDZMUKG-UHFFFAOYSA-N 438.479 5.951 30 10 IKEE CCOc1cc(OCC)c([N+](=O)[O-])cc1C=NNc1nc(-c2ccc(C)cc2)cs1 2323870759 SXQNPDLVIUEZBT-UHFFFAOYSA-N 426.498 5.270 30 10 IKEE Cc1ccc(COc2ccc(C=CC(=O)c3ccc(F)c(C)c3)cc2Br)cc1 2323972695 IHYIXPBGKUHYJZ-UHFFFAOYSA-N 439.324 6.680 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(OC)c1OCc1ccccc1C 2323985380 MPNWPFGDMHITHY-UHFFFAOYSA-N 430.519 6.655 30 10 IKEE O=C1C(=Cc2cccc(F)c2)Oc2c1ccc(O)c2CN(C1CCCCC1)C1CCCCC1 2324044825 ZXFWHAIOQUUFJN-UHFFFAOYSA-N 449.566 6.615 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)cc2)c1 2324332685 LCKZABCJWKKSRA-UHFFFAOYSA-N 441.571 6.451 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OCc1cccc(F)c1 2324380796 RRGGJFLPNNUIBQ-UHFFFAOYSA-N 434.507 6.325 30 10 IKEE Cc1c(O[C@H](C)C(=O)Nc2ccccc2)ccc2c1OC(=Cc1ccccc1Cl)C2=O 2324405691 LQEZJLLJFSBDTD-MRXNPFEDSA-N 433.891 5.671 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4cc(Cl)ccc4C)ccc3C2=O)o1 2324510597 YRBGOHHSGIYBKX-OAHLLOKOSA-N 437.879 5.572 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c2ccccc12 2324673113 ZTFNGBROMYWDFB-UHFFFAOYSA-N 439.467 6.232 30 10 IKEE Cc1c(OCc2ccc(C#N)cc2)ccc2c1OC(=Cc1c(Cl)cccc1Cl)C2=O 2324759493 GNEGUGCITALNPR-UHFFFAOYSA-N 436.294 6.369 30 10 IKEE CC(=O)c1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccc(C)cc2)C3=O)cc1 2324989770 MYEDCXQBODAFCD-UHFFFAOYSA-N 441.483 5.140 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCc4c(Cl)ccc(Cl)c4Cl)ccc3C2=O)c1 2325169721 XELGGKWIAQNLPS-UHFFFAOYSA-N 445.729 7.150 30 10 IKEE Cc1cc(OCC(=O)Nc2c(F)cccc2F)cc2c1C(=O)C(=Cc1ccc(F)cc1)O2 2325511152 GEVLNSGGKZCSEY-UHFFFAOYSA-N 439.389 5.046 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccc(Cl)cc3)ccc2C1=O 2325513232 WPNSYVLNPRUFNW-UHFFFAOYSA-N 449.890 5.372 30 10 IKEE O=C(C=Cc1ccc(Br)cc1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 2325536145 UVTMJDSWXSEMLK-UHFFFAOYSA-N 433.516 5.630 30 10 IKEE COc1ccc(C(=O)Oc2cc(C=CC(=O)c3cc(C)cc(C)c3OC)ccc2OC)cc1 2325757072 VRHRXNZBZMVYPG-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE CCCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1cccc(O)c1 2325905818 WABGTQJNRKOLGR-UHFFFAOYSA-N 438.597 5.553 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1ccc(O)c(OCC)c1 2326417644 MEVSRFWLSKDGEN-UHFFFAOYSA-N 438.597 5.516 30 10 IKEE CCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1cc(Cl)c(OC)c(OC)c1 2326442306 MQANLDGFPNIVAZ-UHFFFAOYSA-N 444.988 5.302 30 10 IKEE CCCCOc1cccc(C=Nn2c(C)nnc2SCc2ccc(Cl)c(Cl)c2)c1 2326489582 OSKFPIBDEMBKGR-UHFFFAOYSA-N 449.407 6.247 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccc(N(C)C)cc1 2326539946 WIPJNKAOOZUPFP-UHFFFAOYSA-N 441.988 5.045 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@H](C#N)[C@]12C[C@H](CCN1C(=O)OC(C)(C)C)C2 2326630387 MEEOTFLTSSWXJP-BSWQBHCVSA-N 447.620 5.628 30 10 IKEE CCOc1cc(C=Nn2c(CC)nnc2SCc2cccc(F)c2)cc(Cl)c1OC 2326731175 FJDVDFJHKINXJD-UHFFFAOYSA-N 448.951 5.215 30 10 IKEE CCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1c[nH]c2ccccc12 2326931029 UIGRQCSIDSFMGX-UHFFFAOYSA-N 433.625 5.903 30 10 IKEE C=CCSc1nnc(COc2ccc(C)cc2C)n1N=Cc1ccc(C(F)(F)F)cc1 2328903685 VSTJUKIBQZMGNU-UHFFFAOYSA-N 446.498 5.653 30 10 IKEE COc1ccccc1C=Nn1c(SCc2ccc(C)cc2)nnc1-c1ccccc1Cl 2329523590 QFYSXNMEYOHVHL-UHFFFAOYSA-N 448.979 6.090 30 10 IKEE O=[N+]([O-])c1cccc(C=Nn2c(CCc3cccs3)nnc2SCc2ccccc2)c1 2329662409 OQIDCAVOYFTTHM-UHFFFAOYSA-N 449.561 5.208 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(C)c3)n2N=Cc2ccc(O)cc2)cc1 2329947376 WKUSETROSSJSLN-UHFFFAOYSA-N 428.561 5.366 30 10 IKEE Cc1ccc(CSc2nnc(CC(C)(C)C)n2N=Cc2ccccc2OC(C)C)cc1 2330800228 HNFNPKIOFJAZLP-UHFFFAOYSA-N 436.625 6.137 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2Cl)n1N=Cc1cc(Cl)ccc1O 2330849389 DNTDUMWGMKJNFY-UHFFFAOYSA-N 449.407 6.054 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)cc([N+](=O)[O-])c1OC(=O)C(C)(C)C 2331100271 HLSOSLOOPJLFNP-UHFFFAOYSA-N 433.407 5.119 30 10 IKEE CCCC(=O)Oc1c(Br)cc(C=CC(=O)c2cccc(Cl)c2)cc1OC 2331129985 TYUMCANDBQFTIL-UHFFFAOYSA-N 437.717 5.713 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3Br)cc2)c(C)c1 2331216034 SJVHUSSRDSPKNS-UHFFFAOYSA-N 435.317 6.181 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3[N+](=O)[O-])c(Cl)c2)c(C)c1 2331219075 KSFIOSUJAQJQGQ-UHFFFAOYSA-N 449.890 5.909 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C(C)(C)C)cc1 2331404641 VRRXRIWDPGOIGJ-UHFFFAOYSA-N 443.016 6.192 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c(F)c2)cc1 2331451306 OYLYBZBMLGHJQA-UHFFFAOYSA-N 434.463 5.277 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(CC(C)C)n2N=Cc2sccc2C)c(C)c1 2331473978 SXVIWAYBXXQRAL-UHFFFAOYSA-N 441.626 5.076 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc(Cl)c1OC(=O)CC 2331549954 OIKCVBLJAAVQKP-UHFFFAOYSA-N 444.955 6.256 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cccs3)c(Cl)c2)c(C)c1C 2331613038 MKKLICXHUFIUAW-UHFFFAOYSA-N 440.948 6.071 30 10 IKEE COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)c1 2428595 RGXDPWPMEUFKPN-OYKKKHCWSA-N 428.484 5.828 30 10 IKEE Cc1c(C(=O)Nc2cc(Cl)ccc2C#N)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12 10069388 KUZJVMLHSQRTMM-UHFFFAOYSA-N 437.868 5.057 30 10 IKEE COc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(C(C)(C)C)cc2)C3)cc1Cl 21218149 GHRDGMCHBSBIBH-MJGOQNOKSA-N 437.967 5.650 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(OCC(C)C)cc2)cc1 21224341 YRIUKPJMPCAAMA-URXFXBBRSA-N 447.575 5.515 30 10 IKEE CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccc(C)cc2)c1-c1ccc(C#N)cc1 25142330 KELBFRDWLOVJIU-UHFFFAOYSA-N 437.543 6.377 30 10 IKEE COc1ccc(-c2csc(NC(=O)[C@@H](C)n3c(=O)cc(C)c4ccccc43)c2C#N)cc1 32526564 XSWKOAPEMDEEDY-MRXNPFEDSA-N 443.528 5.118 30 10 IKEE C=CCOc1ccccc1[C@@H]1CC(=O)Nc2c1c(C)nn2-c1nc2ccc(C)cc2s1 33271471 RDSDHBQRIHOBTQ-KRWDZBQOSA-N 430.533 5.138 30 10 IKEE Cc1csc(/N=C2/S/C(=C\c3ccc(C(=O)O)cc3)C(=O)N2C2CCCCC2)n1 39865605 WHUPUQBREKVCLW-QIHNDPBESA-N 427.551 5.086 30 10 IKEE C[C@@H]1CCc2c(C#N)c(NC(=O)c3ccccc3CCc3ccccc3)sc(=S)c2C1 41011160 RYNIDMUGNHRRAD-QGZVFWFLSA-N 444.625 6.512 30 10 IKEE COc1ccccc1CN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(C)cc1)C3=O 41644342 XNKLTCRVJACPAN-CFRMEGHHSA-N 427.500 5.280 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3c(ccc4c3CN(CCc3ccc(F)cc3)CO4)C2=O)cc1 41655020 FXKZQIHPNGOQEE-YSMPRRRNSA-N 443.518 5.960 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)O)cc1 43307406 LNYRYOZKJZWZCJ-UHFFFAOYSA-N 439.662 7.133 30 10 IKEE COc1cccc(/C=N/c2ccc3nc(SCC(=O)Nc4ccccc4)sc3c2)c1O 59502552 CQQDBPIYRJZZIY-ZMOGYAJESA-N 449.557 5.492 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(ccc(OC(=O)c4cccc(F)c4)c3C)C2=O)cc1 62942231 FNXFCSSTKLUMEL-IWIPYMOSSA-N 445.490 5.816 30 10 IKEE CCCCCCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(C)cc2C)c1 98021415 AHUKAYBNSUTHKY-AREMUKBSSA-N 438.637 6.771 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2ccc(O[C@@H](C)CC)cc2)cc1 100266645 IFBKWMFDZVVKGM-IBGZPJMESA-N 442.625 6.340 30 10 IKEE CCCCCCCC(=O)N(CC(=O)N(Cc1ccc(F)cc1)Cc1cccs1)C(C)C 102990942 YFTABQKCPPTMNK-UHFFFAOYSA-N 446.632 6.014 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(C)c2cc(C(C)C)ccc21 169870072 WHLOTIMXPONCLF-UHFFFAOYSA-N 434.889 7.184 30 10 IKEE COc1cc(/C=N\S(=O)(=O)c2cccs2)ccc1OCc1ccc(C(C)(C)C)cc1 169907994 MATZTXZGVIJQBP-IWIPYMOSSA-N 443.590 5.441 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2cccs2)c1 169928486 YEEGZBRIKXXMCW-QFIPXVFZSA-N 445.496 5.281 30 10 IKEE CCCN1C(=S)N[C@@H](c2ccc(OCC)cc2OCC)C(C(=O)c2ccccc2)=C1C 169928814 AJDDZFHKTMJULJ-QHCPKHFHSA-N 438.593 5.282 30 10 IKEE CCCOc1c(Cl)cc([C@@H]2NC(=S)N(CCC)C3=C2C(=O)CCC3)cc1Cl 169929796 NAVIJDJHZSGEGM-SFHVURJKSA-N 427.397 5.431 30 10 IKEE CCCOc1c(OC)cc(/C=N\Nc2nc(-c3ccc(F)cc3)cs2)cc1[N+](=O)[O-] 169942572 XVTGHSJLTDMGCZ-JJFYIABZSA-N 430.461 5.101 30 10 IKEE CCCCOc1ccc(/C=N\Nc2nc(-c3ccc(OC)cc3)cs2)cc1OCC 169943429 UXZKURCVAYTUKA-IWIPYMOSSA-N 425.554 5.842 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2ccc(O)cc2)c(C)c1 169962912 HVZCILMDFNTYFS-DEOSSOPVSA-N 427.500 5.409 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2cccc(C)c2)c1 169967645 XJRWZQWIBAWLTH-VWLOTQADSA-N 441.527 5.910 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(Cl)ccc2C)[C@@H]1c1ccccn1 169994574 JEWGWJIPLKZFEU-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2ccccc2)cc1 170032650 DPMMSCBQTBMMQP-DEOSSOPVSA-N 443.499 5.267 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2ccccc2)cc1 170052393 DXIXMFGFESTDHV-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccccc1F)c1ccc(F)cc1 170070930 GSTOPQAGWHYYHV-FQEVSTJZSA-N 425.818 5.401 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2ccccc2C)cc1 170089264 YUKZDTVEYVOSDL-XMMPIXPASA-N 443.499 5.185 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccccc1)c1ccc2c(c1)CCO2 170226650 RPJSNTGNSFVSPB-JOCHJYFZSA-N 431.875 5.058 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2F)cc1 170249419 OTOITDPTKUVHOX-QHCPKHFHSA-N 431.463 5.316 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)C)cc2)[C@H]1c1ccco1 170281176 AUWYNNRAVLYMGE-QFIPXVFZSA-N 435.451 5.334 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccco2)c(OCC)c1 170282946 AAKTYKKOJKGJBO-QHCPKHFHSA-N 447.487 5.168 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3cc(C(C)(C)C)ccc3C)[C@@H]2c2ccco2)c1 170289129 ZOYWXBLRDPMZJK-QHCPKHFHSA-N 445.515 5.682 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccc(C)o2)c1 170301991 AYCFZYGWQHPSSL-HSZRJFAPSA-N 447.487 5.005 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1Cc1ccncc1 170317212 OYHJFDNQPOXSMW-QFIPXVFZSA-N 440.524 5.383 30 10 IKEE C=C[C@H]1c2ccc(Cl)cc2N(S(=O)(=O)c2ccc(C)cc2)[C@H]1C(=O)c1ccccc1 220749464 HVLSOJFEZBFVNK-NZQKXSOJSA-N 437.948 5.378 30 10 IKEE CN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1cccc2ccccc12 252594295 BQLAPSVLVYMZJW-HSZRJFAPSA-N 439.540 5.583 30 10 IKEE N#Cc1c(NC(=O)CSc2nnc(-c3ccc4ccccc4c3)[nH]2)sc2c1CCCC2 253566751 JIVXTAKRUPCQPX-UHFFFAOYSA-N 445.573 5.168 30 10 IKEE Cc1ccc(C(=O)Oc2ccccc2N=Cc2ccc(OC(=O)c3ccco3)cc2)cc1 254379227 CTBHDLPTEGKULP-UHFFFAOYSA-N 425.440 5.777 30 10 IKEE C[C@]12CC[C@@H](OS(=O)(=O)c3ccc(F)cc3)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)CCC[C@H]12 254507620 BNXIOYCVQJVXLJ-DGDVUBHQSA-N 434.617 6.332 30 10 IKEE FC(F)(F)c1cc(-c2ccccc2C(F)(F)F)c(-c2ccccc2C(F)(F)F)cn1 514257120 KOFXPEFEJVHZDD-UHFFFAOYSA-N 435.289 7.472 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3Cl)[C@@H]2c2ccc(O)cc2)c1 526522659 RMJHWHAIBQIHQM-NRFANRHFSA-N 437.282 5.628 30 10 IKEE CCOc1cc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2C#N)ccc1OC 526606051 CBVSDQREIYAWRF-DEOSSOPVSA-N 444.462 5.162 30 10 IKEE CCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1ccccc1COc1ccccc1 526804504 VMIWNBCBXKOGKB-PKAZHMFMSA-N 442.588 5.902 30 10 IKEE CCCCOc1cccc(/C=N\n2c(CCC)nnc2SCc2ccccc2Cl)c1 526817160 VIJYANQQMMZZEG-XYGWBWBKSA-N 443.016 6.237 30 10 IKEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1ccc(O)c(Cl)c1 526829781 ZXTIWPPEAJZOTC-UUYOSTAYSA-N 445.932 5.062 30 10 IKEE C=CCN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(CCCCCC)cc1 586179513 CZEINKBCLGDSIE-UHFFFAOYSA-N 440.436 6.493 30 10 IKEE Cc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2ccc(Br)cc2)cc1 586199095 JQMQSHSGQQTLNM-UHFFFAOYSA-N 441.350 5.025 30 10 IKEE Cc1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1C 586249806 QUUBHVJGQNSTSR-UHFFFAOYSA-N 432.589 5.868 30 10 IKEE N#Cc1cccc(NC(=O)c2ccc(NC(=O)NCc3cccc(C(F)(F)F)c3)cc2)c1 586618572 AHJAZXOKGPZSQA-UHFFFAOYSA-N 438.409 5.151 30 10 IKEE C=CCN(CC=C)C(=O)c1cccc(NC(=O)Nc2ccc(N3CCC(C)CC3)cc2)c1 586716710 FCHSZFNUMPKSNY-UHFFFAOYSA-N 432.568 5.381 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@](C)(C#N)COc1ccccc1 698457759 RILFDLDLKVANRT-OAQYLSRUSA-N 431.330 5.552 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1cc(F)c(F)cc1F 710831834 OLBIPVKMMYYPSY-KRWDZBQOSA-N 441.247 5.873 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C1 724088446 NMCVKBBOCQKDHR-XDHUDOTRSA-N 447.551 5.544 30 10 IKEE O=C(Nc1ccccc1)c1c(N=Cc2ccc(N3CCOCC3)o2)sc2c1CCCC2 1084125278 QFIATTOSPZKVMN-UHFFFAOYSA-N 435.549 5.059 30 10 IKEE CCCCCCCN1C(=O)C[C@H](C(=O)NCC)SC1=Nc1cccc(C(F)(F)F)c1 1084201079 PRIKMSTYLBZXPR-QGZVFWFLSA-N 443.535 5.134 30 10 IKEE COC(=O)c1ccc(O)c(N/C(=N/Cc2cccc3ccccc23)N[C@@H]2CCCC[C@H]2C)c1 1088709945 HSKHHWNLSYPZTP-WZONZLPQSA-N 445.563 5.468 30 10 IKEE C=CCCCCCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1CC(C)(C)C1 1705799122 MVOODNOBGIMCSZ-UHFFFAOYSA-N 434.588 5.213 30 10 IKEE Cc1ccc(-n2c(C)cc3c2CC(C)(C)CC3=NOC(=O)/C=C/c2ccccc2)cc1C 1772728569 QLCSDOKAYFSWCI-XCCFTWLESA-N 426.560 6.336 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(O)c(OC)c2)SC1=Nc1nc(-c2ccccc2)cs1 1772736796 KYDVCOVOCUWOMB-UFDKDONYSA-N 449.557 5.314 30 10 IKEE C/C(C=NN=C1S/C(=C\c2cccnc2)C(=O)N1Cc1ccco1)=C/c1ccccc1 1772759430 RENBDECNXOOQQQ-IJUKCTGCSA-N 428.517 5.236 30 10 IKEE N#Cc1c(NC(=O)c2cnc(-c3ccccc3)s2)oc(-c2ccccc2)c1-c1ccccc1 1859744161 TWPLEQZEADYHJJ-UHFFFAOYSA-N 447.519 6.861 30 10 IKEE CCCCCCCCNC(=O)[C@@H](NC(=O)c1ccc2nc(C(C)C)[nH]c2c1)c1ccccc1 1861448324 XKSARUCUOCAWFU-DEOSSOPVSA-N 448.611 5.634 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)c1ccc2nc(CCC)[nH]c2c1 1861455493 GPZHAFXOYDTMDS-SANMLTNESA-N 442.648 5.671 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1cc(Cl)cc(Cl)c1 1862388125 BETNOWAEDGTZAT-MRXNPFEDSA-N 445.129 5.898 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc2c(c1)CCCN2C 1862452034 SIOAVZKEUPVWQZ-OYHNWAKOSA-N 438.955 5.099 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(OC)cc1 1862458284 KMNIQMIOQVBOLW-NRFANRHFSA-N 447.453 5.271 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccccc2Cl)c1 1862490137 OIYQNWZZFILZBE-XMMPIXPASA-N 445.946 6.044 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(Cl)cc1Cl 1862508129 FEFLDOUMFSNORH-BUXKBTBVSA-N 436.310 5.818 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc3c(c2)CCCN3C)cc1 1862538778 PZXXNUZDYICIMP-RUZDIDTESA-N 446.591 5.256 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2c(F)cccc2Cl)cc1 1862620632 WDDVKSLKDAANHW-FQEVSTJZSA-N 427.903 5.517 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2ccccc2)c1 1862660499 MRBFQASQMBEXSE-VWLOTQADSA-N 425.528 5.897 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1c(F)cccc1Cl)c1ccc(F)cc1 1862677689 IVTQVYPTMXDASB-OAQYLSRUSA-N 445.893 5.919 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1Cl 1862712533 SUJNILBVRUSOKA-QFIPXVFZSA-N 435.907 5.108 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C(=O)N1[C@H](C)c1ccccc1 1862747675 USJARXVANWDEKX-UZUQRXQVSA-N 442.471 5.243 30 10 IKEE N#Cc1cccc(NC2=C(c3ccccc3F)C(=O)N(c3ccc4ccccc4c3)C2=O)c1 1862922840 YEGSRMRQKCJZLV-UHFFFAOYSA-N 433.442 5.247 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(Nc2ccccc2C#N)=C(c2ccccc2Cl)C1=O 1863067200 BMEALVQTOCKIDB-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCC)=C(c2ccc(OC(C)C)cc2)C1=O 1863695573 POWHDKFWVMSPRV-UHFFFAOYSA-N 442.644 6.084 30 10 IKEE CC[C@@](C)(NC(=O)C[C@H](c1ccc(Cl)cc1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866755231 MCWIVUUWJJELHQ-XUZZJYLKSA-N 425.960 5.265 30 10 IKEE CCCc1nc(Nc2ccccc2C#N)cc(N2C[C@H](c3ccc(F)cc3)O[C@H](C)C2)n1 1868398704 OZBDDDYYOGZPLZ-VGOFRKELSA-N 431.515 5.150 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N(CCCC)CCCC)nn1-c1ccccc1 1870021553 WTTHHJRIUWUYFI-UHFFFAOYSA-N 427.637 6.363 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(Cl)c(Cl)c2)c(=O)cc1CN(C)C 1870404101 CAAPBNHEJQODNS-UHFFFAOYSA-N 439.427 6.156 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCCCCCC)cn1Cc1ccccc1F 1870416704 LEZIKRUXQGTADS-UHFFFAOYSA-N 426.576 5.559 30 10 IKEE CCCCCCCOc1cn(CCC2=CCCCC2)c(CN2C[C@H](C)O[C@H](C)C2)cc1=O 1870416896 UYXMJHIPRBTJAZ-ZRZAMGCNSA-N 444.660 5.697 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccccc2C)cn1Cc1ccccc1C 1870628175 WIKRGVLANYLVBX-UHFFFAOYSA-N 428.576 5.266 30 10 IKEE CCCCCCCCn1cc(OCCc2ccccc2)c(=O)cc1CN(C)CCCC 1870691995 XQDHIAVTTPIRMO-UHFFFAOYSA-N 426.645 6.062 30 10 IKEE C=CCn1cc(OCc2c(C)cc(C)cc2C)c(=O)cc1CNc1cccc(NC(C)=O)c1 1870802636 BNOZDNVVTFQBCC-UHFFFAOYSA-N 445.563 5.109 30 10 IKEE CCCCCCCOc1cn(CCCOCC)c(CNc2ccc(OC)cc2)cc1=O 1870830437 OQQCROHIHGTHSI-UHFFFAOYSA-N 430.589 5.245 30 10 IKEE CCCCCCCOc1cn(CCCCCCO)c(CNc2ccc(C)c(F)c2)cc1=O 1870838987 DUYZRHOWSLIWCY-UHFFFAOYSA-N 446.607 5.810 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(CC)cc2)c(=O)cc1CNc1ccccc1 1870890952 JGSLWLMUTBMYTN-UHFFFAOYSA-N 446.635 6.962 30 10 IKEE CCCCCCCCCCn1cc(OCCCCC)c(=O)cc1CNc1ccccc1 1871132757 VQTFTBIPYMWZLT-UHFFFAOYSA-N 426.645 7.170 30 10 IKEE CCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(CC)cc1 1871253514 AJOKSVBGMARPDR-UHFFFAOYSA-N 429.564 5.664 30 10 IKEE COc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCC2=CCCCC2)C4)cc1 1871349887 ZUUBIDAEAKCYPW-IWIPYMOSSA-N 431.532 5.662 30 10 IKEE CCOCCCN1COc2c(cc3c(c2C)O/C(=C\c2cn(CC)c4ccccc24)C3=O)C1 1871355722 IGLMSCFZRGXDGO-OYKKKHCWSA-N 446.547 5.164 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(C)c(C)c4)cc(C)c3C2=O)c(OC)c1 1871373025 XMUKNFVVKRLPBR-MSXFZWOLSA-N 444.483 5.464 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)Cc4cc(Cl)ccc4Cl)cc(C)c3C2=O)o1 1871377086 UGGLGYZQGKICCZ-JMIUGGIZSA-N 443.282 5.968 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(CC)cc2)C3=O)cc1 1871389595 DWGWAYDJYUCBHR-UQQQWYQISA-N 440.495 5.958 30 10 IKEE CCOc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2)C3=O)cc1 1871405298 CORMOZFMLWXHPW-XHFXOGKZSA-N 443.499 5.416 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCCOc4ccc(C)cc4)cc(C)c3C2=O)c(OC)c1 1871407046 VQLHKMLCRBYGCN-QFEZKATASA-N 446.499 5.395 30 10 IKEE Cc1cc(OCC(=O)N[C@@H](C)c2ccccc2)cc2c1C(=O)/C(=C/c1ccc(Cl)cc1)O2 1871424255 CLMOPKHNTZRLKW-ICODJCHTSA-N 447.918 5.521 30 10 IKEE CCCCCCCCCOc1cc2oc(=O)cc(C)c2cc1CCC(=O)OCCOC 1871429977 WYOJSTSJDBHCIU-UHFFFAOYSA-N 432.557 5.353 30 10 IKEE COc1cccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2sccc2C)C3=O)c1 1871441910 PROIMTVFUKVVEG-NDENLUEZSA-N 435.501 5.007 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1cn(C)c3ccccc13)C2=O 1871453670 LVSGWYFHDQIWKL-MXAYSNPKSA-N 438.483 5.120 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)c(C)c1C 1872778950 YEEBDWCFNFCSBB-MRXNPFEDSA-N 441.896 5.487 30 10 IKEE C=CCc1ccccc1OCc1ccc(C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cc1 1872859617 ZELYCODZIMEKCA-LJQANCHMSA-N 431.532 5.502 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCC)=C(c2c(C)cc(C)cc2C)C1=O 1873118448 SXVUOBFIAPWILB-UHFFFAOYSA-N 426.645 6.222 30 10 IKEE C=CCOc1ccccc1OCC(=O)Nc1ccc(-c2nc(-c3cccs3)no2)cc1 1873431287 ARHWVUGCMSFCJW-UHFFFAOYSA-N 433.489 5.047 30 10 IKEE N#Cc1nc([C@H]2C[C@H]2c2ccccc2)oc1N/N=C/c1cccc(OC(=O)c2ccco2)c1 1873470521 KBGCGPXOSPDZFP-ZREOKRIHSA-N 438.443 5.076 30 10 IKEE C=CCNC(=O)c1ccc(Cn2c(Cc3ccc(OCCC)cc3)nc3ccccc32)cc1 1873508271 GGHAOZCVBFAAKP-UHFFFAOYSA-N 439.559 5.380 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)c(F)c2)cc2c(NCc3ccccc3C)ncnc21 1873619057 WHFSQKYFHYVGLL-UHFFFAOYSA-N 429.499 5.238 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3cccc(Cl)c3C)c(=O)oc2c1C 1873904515 ZSALGCRDTZSQIX-UHFFFAOYSA-N 425.912 5.508 30 10 IKEE CCCCCCCCCCNC(=O)C[C@H](CN1Cc2ccccc2C1=O)c1ccccc1 1873936887 REFJDSREYYVACC-RUZDIDTESA-N 434.624 6.073 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccc(Cl)c(Cl)c3)c(=O)oc2c1 1873945233 MQHJKJOQGMGOQB-UHFFFAOYSA-N 432.303 5.544 30 10 IKEE CSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1ccc(C(C)(C)C)cc1 1874205641 LFZPHTYJTWBXNS-WYMPLXKRSA-N 449.407 6.066 30 10 IKEE C=CCSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1ccc(F)cc1F 1874226596 SAMVINAWWGWDKU-CVKSISIWSA-N 442.535 5.345 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccccc1Cl 1874231052 PYBSJOJJIYZITJ-FSJBWODESA-N 435.380 5.857 30 10 IKEE CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1c(Cl)cccc1Cl 1874244260 XCAJMAARUXFELZ-DHRITJCHSA-N 449.451 6.338 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccc(C)cc3)n2/N=C/c2cccs2)cc1 1874348022 RMIMMZMTVKLXFH-BUVRLJJBSA-N 434.590 5.422 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cc(C)ccc3C)n2/N=C/c2cccn2C)cc1 1874388918 BDBVUIYICFOSDF-WGOQTCKBSA-N 429.593 5.307 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2F)n1/N=C/c1ccc(F)cc1 1874395606 QOHRXBHTSBDSEO-JEWIKEISSA-N 434.515 5.883 30 10 IKEE Cc1cccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2cc(C)ccc2C)c1 1874408444 XGJUBOUSKGGEHV-WPWMEQJKSA-N 432.637 6.501 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2ccccc2Cl)cc1 1874415600 YPFAULZKRDJWRT-WGOQTCKBSA-N 432.980 6.005 30 10 IKEE Oc1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2)nnc1-c1cccs1 1874423849 IJVHKCGYYXJMDN-WSDLNYQXSA-N 426.954 5.540 30 10 IKEE Cc1cccc(CSc2nnc(C3CCCC3)n2/N=C/c2ccc(C(C)(C)C)cc2)c1 1874454276 IYUKWOUDHJMQMS-WPWMEQJKSA-N 432.637 6.716 30 10 IKEE Cn1cc(/C=N/n2c(SCc3ccc(F)cc3)nnc2-c2ccco2)c2ccccc21 1874464405 IEAAUARGOPJBDF-DHRITJCHSA-N 431.496 5.343 30 10 IKEE Fc1ccc(CSc2nnc(-c3ccco3)n2/N=C/c2c(F)cccc2Cl)cc1 1874465382 GLDGKCNKRFKRTE-BHGWPJFGSA-N 430.867 5.644 30 10 IKEE CCSc1nnc(CCOC)n1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1874470510 JGBFEPNSSJLKOP-YZSQISJMSA-N 446.576 5.193 30 10 IKEE C=C(C)CSc1nnc(CCOC)n1/N=C/c1ccc(N(CC)Cc2ccccc2)cc1 1874471134 PORGRSDQQOZVJI-YZSQISJMSA-N 449.624 5.044 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1ccc2c(c1)OCCO2 1874476801 YJFGZMTUXDHISS-MFKUBSTISA-N 436.581 5.183 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc(F)c2)n1/N=C/c1c(Cl)cccc1Cl 1874482917 UKLCZXJFRVCDHX-BHGWPJFGSA-N 437.371 6.196 30 10 IKEE CC(C)Cc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(N(C)C)cc1 1874491042 WTTLUAZXTAMPGF-WPWMEQJKSA-N 443.620 5.870 30 10 IKEE O=C(O)c1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CCC2)cc1 1874496921 LETLXGREJPBNEA-CVKSISIWSA-N 442.544 5.572 30 10 IKEE C=CCSc1nnc(C2CC2)n1/N=C/c1ccc(OCc2ccc(C)cc2)c(OCC)c1 1874521267 KJXLBOUPBDGRRP-WGOQTCKBSA-N 448.592 5.602 30 10 IKEE O=C(/C=C/c1ccccc1OCc1cccc2ccccc12)c1cc(Cl)ccc1Cl 1874591270 BCMUDLBSQOWCLX-NTCAYCPXSA-N 433.334 7.622 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1)c1ccc2c(c1)OCO2 1874597682 ZKZACHZLCAPQHO-VMPITWQZSA-N 427.283 6.197 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1 1874606616 XJRDKHXYNMUGKF-XDHOZWIPSA-N 427.544 6.251 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OCc3cccc(C)c3)c(OC)c2)cc1C 1874607629 XATKOPBXWDJYQG-CSKARUKUSA-N 436.935 6.449 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1Cl 1874610283 KOPHEMSMJANESY-NTUHNPAUSA-N 437.879 6.122 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)cc([N+](=O)[O-])c1OCc1ccccc1 1874611547 NTHNLZKLXMUTTI-BUHFOSPRSA-N 433.460 5.477 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(Cl)c3)c(Br)c2)cc1 1874616193 NCEKILMUTZUQCZ-YRNVUSSQSA-N 441.752 6.886 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1F 1874621545 IMWOTOWQWJGKBP-ONNFQVAWSA-N 431.290 6.616 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OCc1ccccc1 1874626238 SJIWGJUSXLVIKI-NTCAYCPXSA-N 444.571 6.867 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cc(OC)c(OCc2ccccc2)c(OC)c1 1874638563 GOCSKAQDJCYEPR-PKNBQFBNSA-N 438.907 5.841 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1OC(=O)Cc1ccc(F)cc1 1874692673 RXOCDYCEFBVIFH-RIYZIHGNSA-N 440.470 6.032 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)C34CC5CC(CC(C5)C3)C4)c2)cc1OC 1874694131 MYSCPENRYGSDHB-SOFGYWHQSA-N 446.543 5.722 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccccc3Cl)c2)cc1 1874696643 JZQNSDXPRVXMQT-NTUHNPAUSA-N 436.891 5.401 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc1OC(=O)CC(C)(C)C 1874718170 CDYORGWIGCSTCH-JLHYYAGUSA-N 432.516 6.095 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(CCCC)cc2)cc1OCC 1875106456 UHMWLTRHJAKIAB-DTQAZKPQSA-N 442.983 7.073 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cnc(C)cn3)c(Cl)c2)cc1 1875106517 CLYUZPVDIMJXOS-XYOKQWHBSA-N 434.923 5.896 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3C)c([N+](=O)[O-])c2)cc1 1875113917 FIYPPZZJYAHQLM-VGOFMYFVSA-N 445.471 5.346 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2OC)cc1 1875115919 BBMTWTLDJRECAZ-LNKIKWGQSA-N 447.443 5.117 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)CSc2ccccc2)c(Cl)c1 1875118694 JIFGQMGDPRZVAT-ACCUITESSA-N 438.932 5.942 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)c1ccccc1C 1875122583 PYWGFIDRRROLGO-JLHYYAGUSA-N 448.465 6.126 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc4ccccc4n3C)cc2)cc1 1875137541 RHEMTWRICFVYHZ-LICLKQGHSA-N 439.511 6.082 30 10 IKEE Cc1cc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(C)c3)cc2Cl)ccc1F 1875141797 VTCSKCHVWPDIPZ-RUDMXATFSA-N 440.873 6.279 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1cccc(Cl)c1 1875151978 BVTGZMRVLMZYJA-VMPITWQZSA-N 436.847 5.193 30 10 IKEE COc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1 1875154175 SAWTXGJURWKASN-OBGWFSINSA-N 438.479 5.729 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)COc1cccc(C)c1C 1875158991 WRHIYOWHTYQCCE-RIYZIHGNSA-N 448.490 5.722 30 10 IKEE CC(C)(C)CC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1Cl 1875165164 FOVYLWUHEGPMIU-OQLLNIDSSA-N 448.946 7.370 30 10 IKEE CC(C)(C)C(=O)Oc1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1Cl 1875165284 GQPVIULXQJEPQE-OQLLNIDSSA-N 434.919 6.980 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)c1ccc(C)c(C)c1 1875166760 RTYYUJUDIACPOT-XYOKQWHBSA-N 444.527 6.053 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)cc2OC)cc1OCC 1875176654 OLGBLVYWBZIIPG-RVDMUPIBSA-N 440.536 5.874 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1cnc(C)cn1 1875183551 HLCNDDDPXOMJRP-VQHVLOKHSA-N 430.504 5.224 30 10 IKEE CC(C)(C)OC(=O)N(CCN=[N+]=[N-])[C@H](C#N)c1ccc(Cl)c(Br)c1F 1912157227 SBDYXLXOKJIFQM-LLVKDONJSA-N 432.681 5.354 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CCC(C)(C)CN1C(=O)OC(C)(C)C 1922069107 NXYBHNCHQRTDEK-GOTSBHOMSA-N 430.633 5.553 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 1922084912 DLKMXHLOOCZGRN-UKILVPOCSA-N 436.596 5.667 30 10 IKEE CCCN[C@H](CC#CC1CCCCC1)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 1944817238 YOFANACQOMTNHD-RUZDIDTESA-N 426.645 6.156 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C1 1949185688 UTTQMKKJUANOGM-DEOSSOPVSA-N 433.593 5.240 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)CCC1(C)C 1950221985 AZCJEAKRFGWMBR-XMMPIXPASA-N 435.609 5.628 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(C(=O)OC(C)(C)C)C3(CCC3)C2)c1 2038092983 WKZAAZMVNYTELH-RUZDIDTESA-N 441.572 5.562 30 10 IKEE CC(C)(C)N(Cc1ccccc1)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(F)(F)F 2052615660 FUOXXQHGHCDXPT-UHFFFAOYSA-N 433.323 5.810 30 10 IKEE CC[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(OC)cc1 2067962257 GHBZQTSMBSAAKZ-CYFREDJKSA-N 445.560 5.118 30 10 IKEE C#CC[C@H](C[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C1CC1 2075955367 DYCPUQICWYURDO-VPUSJEBWSA-N 426.556 6.318 30 10 IKEE CC(C)(C)OC(=O)c1nn(-c2ccc(C(F)(F)F)c(F)n2)c(C(F)(F)F)c1Cl 2078914931 ADDNQOOEIBVIGK-UHFFFAOYSA-N 433.711 5.053 30 10 IKEE Cc1nn([C@@H](c2ccc(C3CC3)cc2)C(C)(C)C)c(I)c1/C=N/O 2078998206 DEFHNYOAXABPRP-RYFGYPJOSA-N 437.325 5.117 30 10 IKEE CC(C)c1nn([C@H](c2ccc(C(F)(F)F)cc2)C2(C)CC2)c(Br)c1C#N 2079843766 ITVCMTZAKKVISK-MRXNPFEDSA-N 426.280 6.049 30 10 IKEE Fc1cc(C(F)(F)F)ccc1-c1c(C(F)(F)F)nn(C(F)F)c1Br 2080744877 DUTWCQOSKPIMMT-UHFFFAOYSA-N 427.064 5.884 30 10 IKEE Cc1nn(C(F)(F)F)c(I)c1-c1ccc(C(F)(F)F)c(F)c1 2080798257 HZOUKPIXHSVNHI-UHFFFAOYSA-N 438.084 5.097 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Cl)cc(Br)c1 2081552498 OWTNEMCCGKAPFU-IAGOWNOFSA-N 429.786 5.060 30 10 IKEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@H](CNc2ccc(C#N)c(Br)c2F)C1 2162344896 RAXWRTWLEWFMIV-CQSZACIVSA-N 440.357 5.155 30 10 IKEE C=CC1(C[C@@H](NCCC)c2ccc(Br)cc2NC(=O)OC(C)(C)C)CCC1 2168021751 AYJSIOSVQSFFOY-LJQANCHMSA-N 437.422 6.583 30 10 IKEE C[C@@H](c1cc(Br)cs1)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2186593977 FENUAPVIKFBAHB-AWEZNQCLSA-N 436.224 5.003 30 10 IKEE Nc1ccc(C#Cc2sc(Br)c(Br)c2Br)cc1 2216397425 UPNJXANNAWEFKT-UHFFFAOYSA-N 435.966 5.018 30 10 IKEE CCC#C[C@H](NCCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2225474927 SFJQQBZCKWDEKZ-LITSAYRRSA-N 443.587 5.660 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)cc(F)cc1Br 2225592598 GPPYAOJGUPXTST-NVXWUHKLSA-N 433.337 5.237 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)cc1Cl 2230378034 OUUCXILSKVHKMJ-ROUUACIJSA-N 443.813 5.450 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)c(Br)cc1Cl 2252876341 DGKNPSGEKKEUSX-GFCCVEGCSA-N 438.149 5.164 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N(Cc1ccccc1)CC1CCCC1 2267241616 IWHVVOCRWZJRCM-UHFFFAOYSA-N 433.401 5.127 30 10 IKEE CCOCCN1C(=O)C(=Cc2ccc(N3CCCCC3)cc2C)SC1=Nc1ccccc1 2293355659 JTKJPGWNQOYENL-UHFFFAOYSA-N 449.620 5.626 30 10 IKEE CN1C(=C2SC(=Nc3ccc(F)cc3)N(c3ccc(O)cc3)C2=O)Sc2ccccc21 2295203884 RXXRJWWFBRVIFN-UHFFFAOYSA-N 449.532 5.710 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)C1CCN(Cc2ccccc2)CC1 2296225702 YBDDXJILTXLXJX-DEOSSOPVSA-N 425.414 5.081 30 10 IKEE CCC[C@@H](CCNC(=O)OC(C)(C)C)CC[C@H](O)C#Cc1ccc(Br)cc1 2296282531 XWXQXEMUVMPVFA-XLIONFOSSA-N 438.406 5.273 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)CC(C)(C)CNC(=O)OC(C)(C)C 2296304274 FIBXCMLDGGRMPK-LJQANCHMSA-N 437.422 5.110 30 10 IKEE Cc1cccc(N=C2NC(=O)C(=Cc3cccn3-c3ccc(Br)cc3)S2)c1 2313564868 CKJHGTKZVJHXPV-UHFFFAOYSA-N 438.350 5.440 30 10 IKEE CC(C=Cc1ccccc1)=NNc1nc(SCc2cccc(Br)c2)n[nH]1 2313602108 KNDJXDIWHGMRCW-UHFFFAOYSA-N 428.359 5.361 30 10 IKEE CN1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=Nc1ccccn1 2314541064 DOHOYRWNPYJWGG-UHFFFAOYSA-N 440.868 5.137 30 10 IKEE CCN1C(=O)C(=Cc2ccccc2OCc2ccc(C)cc2)SC1=Nc1nccs1 2314542270 ISSBHRZGXAYKKV-UHFFFAOYSA-N 435.574 5.654 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2c(F)cccc2Cl)nnc1C1CC1 2320917882 FITLMKYPAJCCMJ-UHFFFAOYSA-N 444.963 5.911 30 10 IKEE CCCCOc1ccc(C=Nn2cnnc2SCc2cccc3ccccc23)cc1OC 2321306719 JANLDXJCWZHNBE-UHFFFAOYSA-N 446.576 5.793 30 10 IKEE CCCCCOc1ccccc1C=Nn1c(S)nnc1CC12CC3CC(CC(C3)C1)C2 2322183677 DQLZXVYGKIZDRV-UHFFFAOYSA-N 438.641 5.777 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(C(C)(C)C)cc1)C3=O)CN(CCCCCO)CO2 2322371537 OGXPTPDSPSAEMY-UHFFFAOYSA-N 435.564 5.223 30 10 IKEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1ccccc1Cl)Nc1ccc(F)cc1 2322436900 BVAXHHLZFLBODD-UHFFFAOYSA-N 444.289 6.046 30 10 IKEE O=C(C=Cc1cc(Br)ccc1OCCc1ccccc1)c1ccc(F)cc1F 2322487766 OAUTWVCFQSBRPK-UHFFFAOYSA-N 443.287 6.245 30 10 IKEE Cc1cc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)ccc1F 2322634722 RIOWMTTWLOXJOM-UHFFFAOYSA-N 449.736 7.569 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)c1 2322800009 ZNQPZIKFARBJJZ-UHFFFAOYSA-N 428.440 5.095 30 10 IKEE CCn1cc(C=C2Oc3cc(OC(=O)c4cccc(C)c4)cc(C)c3C2=O)c2ccccc21 2322880865 IAXKKQVOIWGRQJ-UHFFFAOYSA-N 437.495 6.113 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)N[C@H](C)c2ccccc2)cc1C 2322894409 CSDOBANLRPTXKI-HXUWFJFHSA-N 447.962 6.109 30 10 IKEE CCc1ccc(NC(=O)COc2cc(C=CC(=O)c3cccc(OC)c3)ccc2OC)cc1 2323068453 YUUGGPWEDAMVPF-UHFFFAOYSA-N 445.515 5.180 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1OCc1ccc(Cl)cc1 2323072506 UECVTVQXRZWZPC-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE CCOc1ccc(OCC(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1 2323076267 XMSDJXOXXMKTHY-UHFFFAOYSA-N 448.446 5.133 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCc3c(Cl)cccc3Cl)c2)cc1C 2323078853 IYOOVEYUEWECRL-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OCC(=O)Nc1cccc(C)c1C 2323138525 GZOBHXUMEKGEGS-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cccc(OCC(=O)Nc2cccc(C)c2C)c1 2323260469 KQQDXHRJBDAEGY-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 2323370631 YTXGUWHHSRHRMX-UHFFFAOYSA-N 430.460 5.125 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 2323423679 WVFOTKLLKKAFMF-UHFFFAOYSA-N 431.463 6.088 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)cc(Cl)c1OCc1cccc(C)c1 2323472703 VCRULXMWJUDFCN-UHFFFAOYSA-N 434.963 7.085 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)cc([N+](=O)[O-])c1OCc1cccc(C)c1 2323641016 PBNSEPZYRCYWRB-UHFFFAOYSA-N 447.487 5.786 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)c4cccc(OC(C)=O)c4)cc(C)c3C2=O)cc1 2323900903 NDZDZIQMJYEVQJ-UHFFFAOYSA-N 442.467 5.318 30 10 IKEE Cc1cc(O)c(CN2CCCC[C@H]2C)c2c1C(=O)C(=Cc1ccc(-c3ccccc3)cc1)O2 2324010353 MQWZAJBWODUDHJ-HXUWFJFHSA-N 439.555 6.358 30 10 IKEE CC(C)N(Cc1ccccc1)Cc1c(O)ccc2c1OC(=Cc1ccc3c(c1)OCO3)C2=O 2324014324 HUQHHTXDTFFQCR-UHFFFAOYSA-N 443.499 5.148 30 10 IKEE COc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4cc(C)ccc4C)ccc3C2=O)cc1 2324455400 HYMKACMJDJRYCT-SFHVURJKSA-N 443.499 5.334 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(F)cc2)C3=O)c(C)c1 2324493989 FIGCYRIUMQVFGF-KRWDZBQOSA-N 431.463 5.465 30 10 IKEE CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2cccs2)C3=O)cc1 2324521957 XQVUWGZRRRMJMW-MRXNPFEDSA-N 449.528 5.477 30 10 IKEE Cc1cccc(OCCCCOc2cc(C)c3c(c2)OC(=Cc2ccccc2C)C3=O)c1 2324574724 ZSADZIZZWBYXBC-UHFFFAOYSA-N 428.528 6.466 30 10 IKEE Cc1c(OCCOc2ccc(Cl)cc2)ccc2c1OC(=Cc1ccccc1Cl)C2=O 2324666347 UGALTPLJWQKOLD-UHFFFAOYSA-N 441.310 6.376 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1N=Cc1cccc(OC)c1OCCC 2325517695 GCVOSVPTPZOKBR-UHFFFAOYSA-N 438.597 5.593 30 10 IKEE COc1cccc(C(=O)C=Cc2cccc(OC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)c2)c1 2325707503 GDYZLSRGLKGQBA-HXUWFJFHSA-N 444.527 6.088 30 10 IKEE CCCOc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(F)cc3F)c2)cc1 2325725880 GGFRBANUOMIXHW-UHFFFAOYSA-N 436.454 5.798 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1cccc(C=CC(=O)c2ccc(Cl)cc2)c1 2325730591 QCGKABHEHMHLAR-UHFFFAOYSA-N 425.311 6.428 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cc(Cl)ccc3Cl)c2)c(C)c1 2325736259 MXQZYVMBROQKQL-UHFFFAOYSA-N 425.311 6.726 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(OC)cc3)c2)cc1 2325739273 WILBVLIODHDXHR-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2ccc(OC)c(OC(=O)CC(C)C)c2)cc1Cl 2325759292 XJBNYHKFSAZNLE-UHFFFAOYSA-N 432.900 5.213 30 10 IKEE CSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1ccc(C(C)(C)C)cc1 2325907055 RTEDVXKUOAQGQY-UHFFFAOYSA-N 449.407 6.066 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1ccc(O)cc1 2325910148 KQISEHNCIRRQQC-UHFFFAOYSA-N 437.352 5.254 30 10 IKEE C=CCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1c[nH]c2ccccc12 2327292975 WWDPCWBAFDWRGI-UHFFFAOYSA-N 431.565 5.424 30 10 IKEE C=C(C)CSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1cc(Cl)ccc1O 2328158143 OXDOHPSJGHCMGH-UHFFFAOYSA-N 447.048 6.652 30 10 IKEE Cc1cccc(C=Nn2c(CCOc3ccccc3)nnc2SCc2ccc(F)cc2)c1 2329162359 DIDOLSGSGVZURJ-UHFFFAOYSA-N 446.551 5.522 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3C)n2N=Cc2ccc(F)cc2)c1 2329476685 PBHWYKKNQQHNDP-UHFFFAOYSA-N 444.579 5.994 30 10 IKEE C=C(C)CSc1nnc(Cc2ccccc2F)n1N=Cc1ccc(Cl)cc1Cl 2329741083 WUXQLFFZWXRAAR-UHFFFAOYSA-N 435.355 5.865 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2)n1N=Cc1ccc(F)cc1F 2330103705 WCLQCVBZONBGHB-KRWDZBQOSA-N 434.515 5.883 30 10 IKEE C(=Nn1c(Cc2cccs2)nnc1SCc1ccccc1)c1c[nH]c2ccccc12 2330390648 PTKWIYWIMHUTGM-UHFFFAOYSA-N 429.574 5.586 30 10 IKEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)[C@H](C)c1ccccc1 2330647951 QMCGBWFBPCMTBN-QGZVFWFLSA-N 431.444 5.209 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)CCCC4)cc2)cc1C 2330678486 USUYOHJMLGEYDC-UHFFFAOYSA-N 440.539 6.063 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)Cc3cccs3)c(OC)c2)cc1 2330742400 BBTQFZBANFIWHW-UHFFFAOYSA-N 436.529 5.372 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)c(C)c3)c(Cl)c2)c1 2330778310 WIYSUQYMULFMPK-UHFFFAOYSA-N 438.882 5.840 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)cc([N+](=O)[O-])c1OC(=O)C(F)(F)F 2330935640 UMQHRUAYCNKNLD-UHFFFAOYSA-N 443.761 5.011 30 10 IKEE CCCCCCC(=O)Oc1c(OC)cc(C=CC(=O)c2ccc(F)cc2F)cc1OC 2331086929 DBPJMMPGWDBPAB-UHFFFAOYSA-N 432.463 5.754 30 10 IKEE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2)cc1 2331138481 WAHGDBOXRGEIJW-IBGZPJMESA-N 448.946 6.732 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)CCc1cccc(OC)c1 2331180248 MPCALLQZRUBZLP-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE Cc1ccccc1CSc1nnc(C(C)(C)C)n1N=Cc1c(Cl)cccc1Cl 2331370125 AYYPCFPCSBTUGP-UHFFFAOYSA-N 433.408 6.365 30 10 IKEE CC(C)COC(=O)CSc1nnc(C(C)(C)C)n1N=Cc1ccc(Cl)c(Cl)c1 2331406453 ONWVFIHQEYKARY-UHFFFAOYSA-N 443.400 5.056 30 10 IKEE Cc1cccc(C=Nn2c(CC(C)C)nnc2SCc2ccc(Cl)cc2Cl)c1 2331472296 HBSCGLICRFUGMC-UHFFFAOYSA-N 433.408 6.266 30 10 IKEE Fc1ccccc1CSc1nnc(C2CCC2)n1N=Cc1ccc(Cl)c(Cl)c1 2331523257 LIZBDVOZIBIJIE-UHFFFAOYSA-N 435.355 6.166 30 10 IKEE Cc1ccccc1CCC(=O)Oc1ccc(C=CC(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 2331530238 LTDRGAVWJICKHU-UHFFFAOYSA-N 433.435 5.477 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)c1ccccc1C 2331556223 VUAOZMYZNVHDMZ-UHFFFAOYSA-N 438.426 5.406 30 10 IKEE CCCC(=O)Oc1ccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1[N+](=O)[O-] 2331595587 NBWMHMLTRVVIIC-UHFFFAOYSA-N 431.444 5.989 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)CCCSC 2331704537 ZEIFOOFVYXEEAQ-UHFFFAOYSA-N 432.969 5.910 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1ccc(OC)cc1 2331709381 NIZWYCWOBCDZCL-UHFFFAOYSA-N 430.500 5.826 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cncc(C)c3)c(Cl)c2)c(OC)c1 2331721813 UJQMBSFTOLZEHZ-UHFFFAOYSA-N 437.879 5.176 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc(Cl)c1OC(=O)C(C)C 2331753747 QCOYTSKGCDPVFH-UHFFFAOYSA-N 437.319 5.777 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1ncc(C(F)F)s1 2343570530 SLHPFIVXAQTIJO-GFCCVEGCSA-N 444.301 5.850 30 10 IKEE N#C[C@H](C(=O)c1scc(Br)c1Br)c1ccc(Cl)c(F)c1 2362144632 DMSXBYGMUXJWQV-ZETCQYMHSA-N 437.515 5.556 30 10 IKEE CCCCOc1ccc(/N=C/c2ccc(/C=N/c3ccc(OCCCC)cc3)cc2)cc1 4474579 ZCOJWYWQHBXZLC-VFIVCBTMSA-N 428.576 7.546 30 10 IKEE C[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@H]2c1ccc(F)cc1 17094855 JWFZROWXQOYMQA-QLXKLKPCSA-N 426.491 5.892 30 10 IKEE COc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc2ccccc2c1 20881597 YONXZIYLFULHMK-YKGWIAGDSA-N 446.550 6.828 30 10 IKEE CCOc1cc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(C(C)(C)C)cc2)C3)ccc1O 21244500 QGMHTFBMCYITLL-UYAOXDASSA-N 433.548 5.093 30 10 IKEE N#CC1(c2ccccc2)CCN(C(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)CC1 38640696 SFIRULGZBNFBDY-UHFFFAOYSA-N 434.461 6.070 30 10 IKEE C=CCN1C(=O)c2[nH]nc(-c3c(C)cc(C)cc3O)c2[C@@H]1c1cccc(OCCCC)c1 38705620 AEWJLHAKIQQDCT-VWLOTQADSA-N 431.536 5.309 30 10 IKEE C=CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccc2)cc1OC 39873250 BOZJSPMRYJVGJT-XMMPIXPASA-N 439.467 5.116 30 10 IKEE COc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3ccc(F)cc3)C4)C2=O)cc1 41587480 CXSLWAFPBSKLJO-KSEXSDGBSA-N 431.463 5.111 30 10 IKEE COc1ccc2c(c1[N+](=O)[O-])CCC/C2=N\OC(=O)c1ccc(Oc2ccccc2)cc1 59383705 GSHBKQRGICLKDT-NJNXFGOHSA-N 432.432 5.293 30 10 IKEE C/C=C/Oc1ccc(C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)c2nc3ccccc3o2)cc1 98037223 RSYYMMUXQNEIOU-ASFNVIGDSA-N 437.539 7.461 30 10 IKEE CCCCCCCCn1c([C@@H](Sc2ccccc2)c2ccccc2)nc2ccccc21 101262304 NTPJDCGYVLLCBF-MHZLTWQESA-N 428.645 8.279 30 10 IKEE Cc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccccc3)N(c3ccccc3)C2=O)c(C)c1 102963938 LFPHMBOIEXIZCV-OZSVZHKOSA-N 429.545 5.468 30 10 IKEE CSc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nn(-c4ccccc4)c(O)c32)cc1 104353158 WQYXWACEEZLSAM-FQEVSTJZSA-N 431.561 5.500 30 10 IKEE Cc1ccc(CN2c3ccsc3C(=O)/C(=C\Nc3ccc(C)cc3C)S2(=O)=O)cc1 105336427 ZJGOLHFOBFJDQZ-FYJGNVAPSA-N 438.574 5.160 30 10 IKEE Cc1ccc(N/N=C(\C(=O)Nc2nc(-c3ccccc3)cs2)C(=O)c2ccccc2)cc1 110358011 JIJDHYAKFADMPE-IADYIPOJSA-N 440.528 5.408 30 10 IKEE CC(=O)Oc1cc(O[C@H](C)CCCc2ccccc2)cc2c1C1=CC(=O)CC[C@@H]1[C@H](C)N2 149509069 NYIHATUYGXLEST-IEGUWTFLSA-N 433.548 5.579 30 10 IKEE CCN1C(=S)N[C@H](c2cc(Cl)ccc2OC(C)C)C(C(=O)c2ccccc2)=C1C 169931543 WTLJYGWPKMRELY-OAQYLSRUSA-N 428.985 5.535 30 10 IKEE CCCOc1c(OCC)cc(/C=N\Nc2nc(-c3cccs3)c(C)s2)cc1[N+](=O)[O-] 169940362 HFPQYBUEHFXXHG-MTJSOVHGSA-N 446.554 5.722 30 10 IKEE CCCCCCCCCOc1ccc([C@@H]2NN=C3CCN(CCC)C[C@@H]32)cc1OCC 169942725 NBSUTJSEBMIYTD-NVQXNPDNSA-N 429.649 5.947 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1cccs1)c1ccc2c(c1)CCO2 169985551 UWSBNIOMTXSDND-FQEVSTJZSA-N 437.904 5.119 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2cccs2)cc1 169988652 IYOOOJXRDQNLKP-FQEVSTJZSA-N 439.920 5.189 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccncc2)c1 170014858 SYXXNAKZXKIPBO-HSZRJFAPSA-N 440.455 5.009 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccncc2)c1 170016382 DTCYTTQJXMIINJ-XMMPIXPASA-N 442.515 5.387 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2sccc2C)cc1 170105396 BIYKPGAAJUDMOM-FQEVSTJZSA-N 439.483 5.680 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)CCc2ccccc2)=C(O)C(=O)N1c1ccc(F)c(F)c1 170105603 JBYADYJDMJEQFA-NRFANRHFSA-N 439.483 5.437 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2sccc2C)cc1 170105810 SRVOOIQYUQMSST-NRFANRHFSA-N 445.496 5.594 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(O)cc1)c1ccc2ccccc2c1 170130409 RTCUYRYIUWWVPB-HSZRJFAPSA-N 441.508 5.385 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2cccs2)c(C)c1 170156042 RFKRGFXWPBAREV-QFIPXVFZSA-N 433.529 5.465 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccs2)cc1Cl 170156547 SRCHOEUOLNFPAY-FQEVSTJZSA-N 439.920 5.501 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccnc2)c1 170194099 MRBVQSNKHNCWER-QHCPKHFHSA-N 434.536 5.027 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)c(OC)cc3C)[C@@H]2c2ccccc2)cc1 170225021 OPTWKDUIQQFOBE-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@H]1c1ccc(Cl)cc1 170236869 WIBOOBUVYHEYCG-HXUWFJFHSA-N 431.891 5.256 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(F)cc2)cc1 170238606 XGQAHFCHSFZJIB-QFIPXVFZSA-N 435.426 5.146 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(F)cc2)cc1C(C)C 170241120 LNHLEGCJHOFWSQ-HSZRJFAPSA-N 449.478 5.329 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1c1ccccc1O 170271864 NPRPFJBBGHCJFG-DEOSSOPVSA-N 443.499 5.271 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(C)o2)cc1C 170303916 SDDGXHKVBDPGDH-QHCPKHFHSA-N 431.488 5.386 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(C)o2)c(C)c1 170304963 YIJKBXRXTFRCDX-MZNJEOGPSA-N 443.499 5.311 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3cc(C)c(C)cc3s2)c1 170462116 QRPADKSCQXVCSH-OAQYLSRUSA-N 444.512 5.597 30 10 IKEE O=C(C1=C(O)C(=O)N(c2nc3c(F)cc(F)cc3s2)[C@H]1c1cccs1)c1ccco1 170477219 BIUAMCPTGUILEM-INIZCTEOSA-N 444.440 5.012 30 10 IKEE CCCCCCCCCCCCOc1ccc(S(=O)(=O)Nc2ccc(C#N)cc2)cc1 197185631 YSCJWTJHYZKZTO-UHFFFAOYSA-N 442.625 6.659 30 10 IKEE CSc1nc(Nc2ccc(Br)c(C)c2)c(C#N)c(-c2cccc(Cl)c2)n1 240704935 ALAZHVADPMACHY-UHFFFAOYSA-N 445.773 6.205 30 10 IKEE COc1ccc(/C=C2\SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)c(OC)c1 252627483 RVGPTYYAVVIMHX-UNHHPBJVSA-N 444.556 6.129 30 10 IKEE Cc1cccc(C)c1N=C1c2ccccc2C2=NC(=O)N[C@](c3ccccc3)(C(F)(F)F)N21 254404233 PDPNBRKRUUTBAI-DEOSSOPVSA-N 448.448 5.582 30 10 IKEE C=CCOc1ccc(CNc2cc(I)ccc2Br)cc1 312599025 OTEXMNBBJSUTRR-UHFFFAOYSA-N 444.110 5.231 30 10 IKEE CC(C)Oc1cccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccccc2)c1 526800769 XGNBMPDYCSDYMX-IMRQLAEWSA-N 442.588 5.831 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1cc(Cl)c(O)c(OCC)c1 526805729 QZVDRIFDKUBRBB-CFRMEGHHSA-N 444.988 5.471 30 10 IKEE COc1cc(/C=N\n2cnnc2SCc2ccc(C(C)(C)C)cc2)cc(Cl)c1O 526806208 ZRFBOODIVXQRHC-MYKKPKGFSA-N 430.961 5.118 30 10 IKEE Cc1cccc(CSc2nncn2/N=C\c2ccc(OC(=O)c3ccc(F)cc3)cc2)c1 526808061 HYKDKUUNXBLSPC-VYYCAZPPSA-N 446.507 5.119 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1cccc(OCCC)c1 526812597 CCYSFJIUWHAHBI-XYGWBWBKSA-N 443.016 6.237 30 10 IKEE C[C@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)CN1C(=O)OC(C)(C)C 698826289 JBMHDHUHQZVCJZ-QMHKHESXSA-N 449.979 5.763 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@H](C#N)c1cccc(Br)c1F 698854657 FAHVHSQALRCGIE-MRXNPFEDSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)CC1(C)C 698878354 YLSGUBIWSFYFDW-VWLOTQADSA-N 449.636 6.018 30 10 IKEE C=C(Cl)C[C@@H](NCCC)c1cc(I)ccc1Br 710624558 YYGHGCVGKRJGMI-CYBMUJFWSA-N 428.539 5.237 30 10 IKEE Brc1ccc(N=Cc2ccc(C=Nc3ccc(Br)cn3)cc2)nc1 1080157511 HCBCOXVARXYYQX-UHFFFAOYSA-N 444.130 5.503 30 10 IKEE O=[N+]([O-])c1ccc(Sc2ccc(N=Cc3cccn3-c3ccc(Cl)cc3)cc2)cc1 1084179154 DMCHITPIJDGIOS-UHFFFAOYSA-N 433.920 6.941 30 10 IKEE CC(CC(C)C)=NNc1nc(SCCC(=O)Nc2c(Cl)cccc2Cl)n[nH]1 1084335875 QFMLGAFBIQVDGA-UHFFFAOYSA-N 429.377 5.066 30 10 IKEE Cc1nn(Cc2ccccc2Cl)c(C)c1C=NN=c1c2ccccc2[nH]c2ccccc12 1084369065 YVWPAUWDCXVQJT-UHFFFAOYSA-N 439.950 5.771 30 10 IKEE Cc1ccc([C@H]2[CH]c3ccccc3O/C2=N/N=C2\SCC(=O)N2c2cccc(C)c2)cc1 1614733037 UVGRUWWFGCWTHU-NQQIJULLSA-N 440.548 5.482 30 10 IKEE CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=Nc1nc(-c2ccccc2)cs1 1772739730 VAUVOPUXHONSPG-WEHZRUJJSA-N 425.966 6.087 30 10 IKEE O=C(ON1C(=O)c2ccccc2C1=O)c1c(Cl)cccc1Oc1ccc(F)c(Cl)c1 1772790574 PWESBBBEBADQJJ-UHFFFAOYSA-N 446.217 5.293 30 10 IKEE Cc1cc(C)cc(NC(=S)N/N=C\c2cn(-c3cccc(C)c3)nc2-c2ccccc2)c1 1857809751 XQSQNHISLWCRCF-YUMHPJSZSA-N 439.588 5.785 30 10 IKEE Cc1ccc(-c2nn(-c3ccc(C)cc3)cc2/C=N\NC(=S)Nc2cccc(F)c2)cc1 1857812235 ZZUZZWSDVGQMNZ-DICXZTSXSA-N 443.551 5.616 30 10 IKEE N#Cc1cccc(C(=O)NCc2ccc(OC(=O)Nc3ccc(Cl)cc3Cl)cc2)c1 1858913253 YSYCUXZWERMUPA-UHFFFAOYSA-N 440.286 5.406 30 10 IKEE N#Cc1cccc(C(=O)n2c(=O)oc3cc(-c4csc(-c5cccs5)n4)ccc32)c1 1860477794 LUOZVTBKNNTMBC-UHFFFAOYSA-N 429.482 5.007 30 10 IKEE CSc1ccc(/C=C/C(=O)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1 1860726411 WCEDRHVQCZBLDI-GIDUJCDVSA-N 437.948 5.862 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(F)cc1 1861479554 MWEQHHXXTZSWBB-VWLOTQADSA-N 440.603 5.353 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1cccc(C)c1 1862380148 VBHZQKBUSKIGKD-NRFANRHFSA-N 446.374 6.460 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 1862398151 WSUXAKUNWKJNGR-XMMPIXPASA-N 449.591 5.287 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@H]1c1ccccc1)c1ccccc1Cl 1862429737 UAGQSYGQEGPSKP-QHCPKHFHSA-N 431.919 5.551 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@@H]1c1ccccc1)c1c(F)cc(F)cc1F 1862455970 HFTWBIMONNFHFU-JOCHJYFZSA-N 441.449 5.573 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(CC)cc1 1862474605 PSZVBCXQGZSGOU-ZCYQVOJMSA-N 433.592 6.495 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCCCCC2)cc1O 1862480266 BSLBROIYKVFHOY-DEOSSOPVSA-N 449.547 5.400 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(F)cc1 1862490223 QICVRRREFROBQS-URXFXBBRSA-N 437.555 6.380 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2ccccc2F)c1 1862490309 SHFXLMGAPAACIG-QHCPKHFHSA-N 449.909 5.874 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccccc2)cc1 1862515032 ONSMCZARXNRKEJ-XANCMCCPSA-N 433.548 5.632 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccccc2Cl)cc1 1862535895 MFXPPDRZJPHINY-XMMPIXPASA-N 449.978 6.371 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccccc2Cl)cc1 1862591467 ZSTZLJWXVXDFPG-QHCPKHFHSA-N 447.918 5.387 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(Cl)cc1 1862591669 LVFSCRAQIAOJBS-UGKGYDQZSA-N 441.955 5.983 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862595172 JVOVJNNPDLEEBA-DEOSSOPVSA-N 427.500 5.294 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2cc(Cl)cc(Cl)c2)cc1F 1862645972 UWNUFKWKJBNFGI-GOSISDBHSA-N 438.282 5.128 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(OC)c(OC)c1 1862655399 HTFKDKGZOHPABB-GYCJOSAFSA-N 445.515 5.234 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1c(Cl)cccc1Cl)c1cccc2ccccc12 1862657821 JZRSBGLIBJVTMB-OAQYLSRUSA-N 438.310 5.887 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2cccc(C)c2)cc1 1862688542 YYAZXQJEUABLOO-RUZDIDTESA-N 441.527 5.215 30 10 IKEE CCCCCCCOc1cn(C[C@H](O)c2ccc(Cl)cc2)c(CN2CCCC2)cc1=O 1870414416 OSSORABXGHMSNB-DEOSSOPVSA-N 447.019 5.180 30 10 IKEE C=CCOc1cn(CCCCCCCC)c(CNc2ccc(NC(C)=O)cc2)cc1=O 1870811798 IMTZJSNNISEHKR-UHFFFAOYSA-N 425.573 5.344 30 10 IKEE Cc1cc(OC(=O)c2cccc(Br)c2)cc2c1C(=O)/C(=C/c1cccs1)O2 1871364487 OLXDUTRMPDJWGI-WQRHYEAKSA-N 441.302 5.654 30 10 IKEE CC(=O)Nc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(C)c2)C3=O)c1 1871365015 LESVKMHQVARYPM-FMCGGJTJSA-N 427.456 5.097 30 10 IKEE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1OC 1871366622 IQSSTOHYXUVMOA-SKKQBINNSA-N 442.467 5.247 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)Cc4ccc(F)cc4)cc(C)c3C2=O)cc1 1871371919 PLKNXXXHGLKUPT-QRVIBDJDSA-N 432.447 5.297 30 10 IKEE CCOc1cc(C(=O)Oc2cc(C)c3c(c2)OC(=C(C)C)C3=O)cc(OCC)c1OCC 1871373700 FJDRKQHNQXIYBC-UHFFFAOYSA-N 440.492 5.279 30 10 IKEE Cc1c(OC(=O)Cc2cc(Cl)ccc2Cl)ccc2c1O/C(=C\c1cccnc1)C2=O 1871376230 AEMCOCBASHDHKI-UKWGHVSLSA-N 440.282 5.461 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc(OC(C)C)cc3)cc(C)c2C1=O 1871388515 ZXRYDUINBMVOGM-OYKKKHCWSA-N 444.483 5.626 30 10 IKEE Cc1cc(OCC(=O)N[C@H](C)c2ccccc2)cc2c1C(=O)/C(=C/c1ccc(Cl)cc1)O2 1871424256 CLMOPKHNTZRLKW-SUVVMJBMSA-N 447.918 5.521 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(C(C)C)cc2)cc2c1C(=O)/C(=C/c1ccccc1F)O2 1871435246 AYRSEMIPDHYNLD-CFRMEGHHSA-N 445.490 5.891 30 10 IKEE CCCCCCCCN=c1nc(N(CCC)CCCC)[nH]c(=Nc2cccc(C)c2C)[nH]1 1871591039 NRLHAXKOWMVHAE-UHFFFAOYSA-N 440.680 5.865 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1871876249 HZMWSSBBPPQPKK-QFIPXVFZSA-N 449.016 5.331 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4ccccc4oc3=O)n2)cc1 1872770558 XTZAYAZFQZHVOG-LJQANCHMSA-N 430.485 5.195 30 10 IKEE COc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(C)c(C)c3)cs2)c(C(C)(C)C)c1 1872782390 ITQAQRXNGGQILU-FQEVSTJZSA-N 448.588 5.988 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ccc(Cl)cc3)n2)cc1Cl 1872789918 YWOCCLFZOXWBNU-INIZCTEOSA-N 431.344 5.935 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@@H]2CCCC[C@@H]2C)=C(c2cccnc2)C1=O 1873081177 HSDSLADYKMKQRG-RBBKRZOGSA-N 425.617 5.471 30 10 IKEE N#Cc1nc(-c2cccs2)oc1N/N=C/c1ccc(OC(=O)c2ccc(F)cc2)cc1 1873461957 GRKFBVXNJCCCQM-DHRITJCHSA-N 432.436 5.079 30 10 IKEE C=CCN(CC=C)c1nc(Nc2ccccc2[C@@H](C)CC)c2cnn(-c3ccccc3)c2n1 1873481667 JQYDKKFJOKXHIU-FQEVSTJZSA-N 438.579 6.251 30 10 IKEE N#Cc1ccccc1NC(=O)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 1873867157 QSDWORWBAHOWCA-HHHXNRCGSA-N 445.522 5.186 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccccc1F 1874213962 OKHBFNPPZJWROH-BUVRLJJBSA-N 430.936 5.243 30 10 IKEE OCCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccc(Cl)cc1 1874245094 SQYAPWGTWSCVIY-MFKUBSTISA-N 445.032 5.047 30 10 IKEE Fc1ccccc1CSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccco1 1874265348 SRXLOEWXIKTXSQ-WYMPLXKRSA-N 442.903 5.417 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(COc2ccccc2Cl)nnc1SCC=C 1874267586 FLZNRUNDZXVOQJ-BUVRLJJBSA-N 440.956 5.236 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1cc(OC)ccc1OC 1874287422 DPSNXLPOOLQKMD-KOEQRZSOSA-N 442.629 5.920 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccc(C)c(C)c3)n2/N=C/c2cccs2)c1 1874358637 RVRLCXNQTMJWFX-CVKSISIWSA-N 446.645 6.339 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(F)cc3)n2/N=C/c2ccc(O)cc2)c1 1874378008 ZPNLBSNGRXSHKR-CVKSISIWSA-N 432.524 5.197 30 10 IKEE Cc1cccc(C)c1NC(=O)CSc1nnc(C2CCCC2)n1/N=C/c1ccccc1 1874454514 HXGARYPEFOFZNJ-MFKUBSTISA-N 433.581 5.166 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C(F)(F)F)c1 1874462808 GTTIERYUOLUHMI-PGGKNCGUSA-N 445.297 6.087 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2C)cc1 1874576080 VTFNAXRUNGMCKD-UKTHLTGXSA-N 435.907 5.571 30 10 IKEE COc1cccc(/C=C/C(=O)c2cccc(Cl)c2)c1OCC(=O)Nc1cccc(C)c1C 1874577376 KXBBDEABVPTGMP-BUHFOSPRSA-N 449.934 5.879 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2c(Cl)cccc2Cl)cc1 1874579615 YAIUPKRRHUDCBR-PKNBQFBNSA-N 431.746 7.430 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(Cl)cc(OC)c1OCc1ccccc1C 1874581577 URSXEFXSVMCXNA-ZHACJKMWSA-N 436.935 6.449 30 10 IKEE CCc1ccccc1NC(=O)COc1cccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)c1 1874599320 HJSGTVHRGKDNLZ-BUHFOSPRSA-N 443.543 5.788 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc1OCc1ccccc1Cl 1874600994 NLGPLUFQPKDAHI-JXMROGBWSA-N 443.326 6.486 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)cc1C 1874607296 HAMZOEXDHNTFLB-UXBLZVDNSA-N 440.898 6.280 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OCC(=O)OCC(C)C)c(Cl)c2)c1C 1874629161 ORVPOAAHVYYSTR-VQHVLOKHSA-N 428.956 6.048 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)COc3ccccc3CC)c2)cc1 1874694017 IEHCNABVRCLEEQ-FOWTUZBSSA-N 444.527 5.701 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)c1)c1ccccc1Cl 1874696773 LKCDMQORAVRLCO-DDVDASKDSA-N 437.322 6.599 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2)cc1OC(=O)c1ccccc1Br 1874700850 PSZHWVXLGYZXMS-ACCUITESSA-N 437.289 5.573 30 10 IKEE COc1ccccc1CC(=O)Oc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC 1874708184 QPQAALKQUJCOND-OQLLNIDSSA-N 444.527 5.871 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccco3)c2)c(OCC)c1 1874714930 VBYUBMHDBMGYBT-XYOKQWHBSA-N 436.460 5.201 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(Cl)cc3)cc2)cc1 1875105785 MOVZQORAAPMXNU-WOJGMQOQSA-N 432.947 6.727 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)CCCSC 1875105934 SOZUFFMDMYNQQP-WEVVVXLNSA-N 439.360 5.947 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OC 1875123256 YXVUVWOOFCMLAR-FYWRMAATSA-N 428.956 6.901 30 10 IKEE CCCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccc(F)cc2F)cc1OC 1875125004 MEUZRBGOTCCHRP-VMPITWQZSA-N 439.252 5.338 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2)cc1 1875137767 DAYFNTRQHQZXHA-SFQUDFHCSA-N 428.528 6.136 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3cc4ccccc4n3C)c(Cl)c2)c1 1875139641 SUUXXGRNSUDPDX-ZRDIBKRKSA-N 443.930 6.564 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3Br)cc2)ccc1F 1875141214 SYCPSMGLRKWDAL-MDWZMJQESA-N 439.280 6.012 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccc2c(c1)OCO2 1875150112 XTZBQGBBBKIXOY-XVNBXDOJSA-N 430.500 5.433 30 10 IKEE CC(C)CC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1Br 1875155954 XJBUVCRJTOBGCB-VZUCSPMQSA-N 429.354 6.420 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2OC)c1 1875157457 ZBWGQKOIJLBSRD-RIYZIHGNSA-N 430.500 5.943 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc(Cl)c1OC(C)=O 1875160763 IKFYPAOWVVKZHR-CSKARUKUSA-N 430.928 5.866 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3cnc(C)cn3)cc2)cc1C(C)C 1875163235 BCJBVLWTWGJHGG-DHZHZOJOSA-N 430.504 5.341 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc(F)c2)cc1)c1ccc(Oc2ccccc2)cc1 1875165518 LYJUKZMGDDBUKO-WOJGMQOQSA-N 438.454 6.733 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)CC(C)C)c(Br)c1 1875170845 SNLWDUDLEXDYRE-SOFGYWHQSA-N 445.353 5.922 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)[C@@H](C)c1ccccc1 1875176561 JYRJTORZVUUZQH-NKSQBSFPSA-N 428.528 6.307 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3c(C)cc(C)cc3C)cc2Cl)c1 1875182688 PRXIWEIKYVTBBS-CSKARUKUSA-N 434.919 6.389 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1C[C@]2(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1880384228 HXEYIMBHUYMACP-OHUGHZGNSA-N 441.572 5.105 30 10 IKEE N#Cc1cccnc1OCC1CCN(C(=O)CCc2c3ccccc3cc3ccccc23)CC1 1891820477 CAHPDOCQRUKDMW-UHFFFAOYSA-N 449.554 5.510 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CCC[C@]2(C#N)N(C(=O)OC(C)(C)C)c2ccccc2)C1 1918321973 PYLAQUBYNFSPFR-XMMPIXPASA-N 427.545 5.111 30 10 IKEE CCC[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 1944858987 GYVSVCDPDYIWKK-QRWLVFNGSA-N 449.514 5.105 30 10 IKEE C=C1CCC(C[C@@H](C[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)NCC)CC1 1947476870 WXLMTQNLFPYPMK-BJKOFHAPSA-N 430.633 5.601 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)C1(NC(=O)OC(C)(C)C)CC(C(C)(C)C)C1 2001668444 VSKPHVAUPUUPHF-HCYSDIRSSA-N 430.633 5.457 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)[C@H]1C1CC1 2014664131 HNUKRRMOBOZUCD-DVECYGJZSA-N 433.593 5.238 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@H](C#N)[C@@]1(C)CCCN1C(=O)OC(C)(C)C 2020799428 VYFLJGNISRVXGN-YADARESESA-N 435.609 5.628 30 10 IKEE COc1cc(C(=O)C(=Cc2cccc(Cl)c2)c2nc3ccccc3o2)cc(OC)c1OC 2040779943 CEDGMPQHEBUTKF-UHFFFAOYSA-N 449.890 5.931 30 10 IKEE CC1(C)CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)[C@H](OCc2ccccc2)C1 2043777083 MAVNLFXWHQJEMV-KCWPFWIISA-N 434.580 6.486 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C12CCC2 2053045172 SFCFIBONHNGTNY-BVZFJXPGSA-N 447.620 5.533 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@@H]3CC[C@H]32)cc1 2057586136 PBRXVVQRLMWZQZ-FHAGJXEFSA-N 441.572 5.418 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@@H]2C(C)C)cc1 2067954705 KBTNHWITPCNYPN-NLFFAJNJSA-N 443.588 5.664 30 10 IKEE C[C@H](c1cccs1)N(Cc1ccccc1)c1ncc(F)cc1B1OC(C)(C)C(C)(C)O1 2068333118 MUKOGWFJYKUXCW-QGZVFWFLSA-N 438.377 5.349 30 10 IKEE CC(C)c1ccc([C@H](n2nc(C(C)(C)C)c(C=NO)c2Br)C(C)(C)C)cc1 2079980929 LILVAWQQPLBOGN-IBGZPJMESA-N 434.422 6.510 30 10 IKEE Cc1cc(C)c([C@@H](C2CC2)n2nc(C(C)(C)C)c(C#N)c2I)c(C)c1 2080053562 UVWAKGHSWJNDSV-GOSISDBHSA-N 447.364 5.582 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CC[C@H]2[C@H](C1)C2(F)F 2090785849 UYMZCRFCCGDCQY-ZJNRKIDTSA-N 427.289 5.518 30 10 IKEE COc1ccc(CN(Cc2ccccc2)[C@H](C)C(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2095899135 ZRFXTLADFPDRJO-HXUWFJFHSA-N 437.433 5.431 30 10 IKEE C=CCC1([C@H](NCC)c2ccc(Br)c(Cl)c2)CN(C(=O)OC(C)(C)C)C1 2103289034 WCJMZSMJHZYCKA-QGZVFWFLSA-N 443.813 5.566 30 10 IKEE C=CCN(CC[C@H](NCCC)c1cccc(Br)c1Cl)C(=O)OC(C)(C)C 2136583133 CYGDHBPEUAFZOE-KRWDZBQOSA-N 445.829 5.956 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2cc(O)ccc2Br)cc1 2144514986 UYWKIUNBURLBBM-GOSISDBHSA-N 433.302 5.170 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc2c(c1)CCN(c1cccc(Br)c1C#N)C2 2174809566 BFTNCIJADUODJV-UHFFFAOYSA-N 428.330 5.230 30 10 IKEE Brc1cccc(Br)c1CN=C1N[C@@H](c2ccsc2)CS1 2175632675 XEZOJXIJAHPLSJ-CYBMUJFWSA-N 432.206 5.207 30 10 IKEE CC(C)(C)OC(=O)NCCCCCCCC(=O)Nc1ccc(Br)c(C#N)c1 2180899055 YFGMXHVWQPXZFD-UHFFFAOYSA-N 438.366 5.125 30 10 IKEE CCCCCC#CC[C@@H](O)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2203792611 QZASJHVKBXKFMA-WOJBJXKFSA-N 438.406 5.220 30 10 IKEE C=CCC1([C@H](NCC)c2sc(C)c(Br)c2C)CN(C(=O)OC(C)(C)C)C1 2224208015 CJDIEMMYKXPIOJ-QGZVFWFLSA-N 443.451 5.591 30 10 IKEE C=CCCC1([C@@H](Cc2ccc(C)c(Br)c2)NC)CN(C(=O)OC(C)(C)C)C1 2281055132 DVRGWTMAEQPJGS-LJQANCHMSA-N 437.422 5.091 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@H]2Nc2c(Br)cccc2C#N)C1 2285239920 JNJHZHQWHNAHTK-DYESRHJHSA-N 434.378 5.302 30 10 IKEE C(=Nc1ccccc1)C1=C(N(c2ccccc2)c2ccccc2)C(=CNc2ccccc2)CC1 2293394539 GXBQJYINGLJJDR-UHFFFAOYSA-N 441.578 8.271 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](CC[C@@H](O)C#Cc2ccc(Br)cc2)C1 2296274524 UUPVNLGSWZQTLN-RLLQIKCJSA-N 436.390 5.025 30 10 IKEE C#CCOc1c(Cl)cc(C=C2SC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl 2297341635 RNZFBYOSZMLDMB-UHFFFAOYSA-N 438.719 5.900 30 10 IKEE CCOc1ccc(N=C2SC(=Cc3cc(Cl)cc(Cl)c3O)C(=O)N2CC)cc1 2297462082 ZEWMQOOSMCAZQP-UHFFFAOYSA-N 437.348 5.722 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)cc1 2302571866 OOMRIHUFKQKUHJ-XUVXKRRUSA-N 429.561 5.322 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]12C[C@H]3CC[C@@H]([C@@H]1C2)N3C(=O)OC(C)(C)C 2308862022 CJGIVMSVXPHLJG-CHYHEQJZSA-N 440.628 5.306 30 10 IKEE CCN=C1SC(=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)N1CC 2313556695 IMLMBBXOLHGSEK-UHFFFAOYSA-N 435.376 5.885 30 10 IKEE COc1cccc(C=C2Oc3c(cc4c(c3C)OCN(CCc3ccc(F)cc3)C4)C2=O)c1 2322286687 IHDYWPAKIJWKFI-UHFFFAOYSA-N 445.490 5.154 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(Cl)cc1Cl)C3=O)CN(C1CCCCC1)CO2 2322328614 IYPCLZJBRJYDLZ-UHFFFAOYSA-N 444.358 6.403 30 10 IKEE Cc1ccccc1C=C1Oc2c(cc3c(c2C)OCN(Cc2cccc(Cl)c2)C3)C1=O 2322426789 SVNOJAIJCKUAMI-UHFFFAOYSA-N 431.919 5.925 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1cccc(F)c1)C3=O)CN(C13CC4CC(CC(C4)C1)C3)CO2 2322437162 YQWATFREWAEOBF-UHFFFAOYSA-N 445.534 5.871 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2c(OCc3ccccc3Cl)ccc3ccccc23)c1 2322616988 CVXSLMSEDFKMSU-UHFFFAOYSA-N 426.943 7.585 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OC(=O)c4ccc(OC)cc4)ccc3C2=O)cc1 2322687598 WDHKCQDUPWOSPA-UHFFFAOYSA-N 443.499 5.377 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C(C)C)cc2)c1OCc1cccc2ccccc12 2322738054 WOTSTJIEVBWRFT-UHFFFAOYSA-N 436.551 7.447 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccccc2OCc2ccccc2C)cc1 2322758528 ATERIWUWHHTNTL-UHFFFAOYSA-N 442.599 7.819 30 10 IKEE CCCOc1ccc(Br)cc1C=CC(=O)c1cc(Cl)cc(Cl)c1OC 2322828346 JJOVHBAKNBXTAT-UHFFFAOYSA-N 444.152 6.449 30 10 IKEE Cc1cc(OC(=O)COc2ccccc2)cc2c1C(=O)C(=Cc1ccc(C(C)C)cc1)O2 2322948904 PPNPZJVUNJYZIX-UHFFFAOYSA-N 428.484 5.719 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc2c(c1)OC(=Cc1ccccc1OC(F)F)C2=O 2323485540 VPSHFZYKUBACPY-UHFFFAOYSA-N 428.431 5.780 30 10 IKEE Cc1cc(OC(=O)c2ccc(C=CC(=O)O)cc2)cc2c1C(=O)C(=Cc1ccccc1F)O2 2323608758 MFZROAZZNUKAPO-UHFFFAOYSA-N 444.414 5.067 30 10 IKEE Cc1c(OC(=O)CCc2ccccc2)ccc2c1OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2323724015 KQHWZLZTHXCKIU-UHFFFAOYSA-N 440.539 6.447 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(Cl)c2)cc(OC)c1OCCc1ccccc1 2323770394 RYMZAISEMPDSDK-UHFFFAOYSA-N 432.947 6.595 30 10 IKEE CCCOc1cc(C=NNc2nc(-c3ccc(OC)c(OC)c3)cs2)ccc1OC 2323865789 CNRFXTVDCGBIND-UHFFFAOYSA-N 427.526 5.071 30 10 IKEE CC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(C)cc2)C3=O)c1 2323900671 ZFWPNCIMVFYNID-UHFFFAOYSA-N 428.440 5.064 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(C=CC(=O)c3cccc4ccccc34)cc2)cc1 2324128227 RGVWXAQIXXTGPI-UHFFFAOYSA-N 435.523 6.316 30 10 IKEE CCCOc1c(Br)cc(C=CC(=O)c2ccc(F)cc2)cc1Br 2324184803 VSQWZKIAWAGSNA-UHFFFAOYSA-N 442.122 6.036 30 10 IKEE Cc1c(O[C@@H](C)C(=O)OC(C)C)ccc2c1OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2324305392 RHWUBIUZNBDXIK-IBGZPJMESA-N 442.511 5.997 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1 2324381024 YHFBYJGXHGZJDW-HXUWFJFHSA-N 439.511 5.882 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3cccc([N+](=O)[O-])c3)n2)cc1 2324545689 QGBUKMRYXBXKEW-FQEVSTJZSA-N 433.489 5.397 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OCc3ccc(C(=O)OC(C)C)cc3)cc(C)c2C1=O 2324609651 HFAGUDHRPQFHSD-UHFFFAOYSA-N 448.540 6.125 30 10 IKEE Cc1cc(C)c(COc2cc(C)c3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)cc1C 2324765310 TZSMPEYELQDXKQ-UHFFFAOYSA-N 429.472 6.024 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)C=Cc2cccc(Cl)c2)n1 2324781251 ZHHYKLLARBOAKN-GOSISDBHSA-N 443.355 6.324 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1ccc2c(c1C)OC(=Cc1ccc(C)o1)C2=O 2325093266 ZNJYVCDJCNUMNV-HXUWFJFHSA-N 426.509 5.794 30 10 IKEE CCOc1cccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccc(C)cc2)c1 2325471167 YWPZPWXIPDCNRO-UHFFFAOYSA-N 442.588 5.751 30 10 IKEE COc1cccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)c1 2325572099 SUOSNPUKJMAOKO-UHFFFAOYSA-N 443.499 5.452 30 10 IKEE COc1ccc(CC(=O)Oc2cc(C=CC(=O)c3ccc(C(C)C)cc3)ccc2OC)cc1 2325750236 RIIBMBKUWTYPPG-UHFFFAOYSA-N 444.527 5.871 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2cccc(OC(=O)c3ccc(F)c(F)c3F)c2)c1C 2325756852 OBOJGHVJFNBAPV-UHFFFAOYSA-N 438.445 6.453 30 10 IKEE COc1cccc(C(=O)Oc2cc(C=CC(=O)c3c(C)cc(C)cc3C)ccc2OC)c1 2325764210 NJAYMVBUEBWIIX-UHFFFAOYSA-N 430.500 5.744 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1cc(C)ccc1O 2325909993 UJGNYOYJXWYYKK-UHFFFAOYSA-N 449.363 5.338 30 10 IKEE Cc1ccc(CSc2nnc(COCc3ccccc3)n2N=Cc2cccs2)cc1 2329302743 YGBZOBIUIFQERC-UHFFFAOYSA-N 434.590 5.539 30 10 IKEE CCSc1nnc(Cc2ccc(C)cc2)n1N=Cc1cc(Br)ccc1F 2329967452 LIISWLISVNDCBF-UHFFFAOYSA-N 433.350 5.073 30 10 IKEE Cc1ccc(CSc2nnc([C@@H](C)c3ccccc3)n2N=Cc2cccc(O)c2)cc1 2330050802 GSBPURGHWNFABK-IBGZPJMESA-N 428.561 5.618 30 10 IKEE C=C(C)CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1ccc(OCC)c(OC)c1 2330103799 GRYWWDFCERBESI-SFHVURJKSA-N 436.581 5.388 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccc(C)cc3)nnc2-c2ccccc2)c1O 2330627157 NHVHVNHJBIUVIB-UHFFFAOYSA-N 430.533 5.142 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(C)c3)c(OC)c2)cc1 2330849557 LNAQFLNQKSDFEM-UHFFFAOYSA-N 428.528 6.462 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(Br)c2)cc(OC)c1OC(=O)CC 2331007255 PLDFCBKGJYDAFK-UHFFFAOYSA-N 429.310 5.398 30 10 IKEE Fc1ccc(CSc2nnc(C3CCCC3)n2N=Cc2ccc3c(c2)OCCO3)cc1 2331031586 ACSXOJSTDYAJTG-UHFFFAOYSA-N 438.528 5.021 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2OC)cc(OC)c1OC(=O)c1ccc(C)cc1 2331079272 GUJVQOARCKHGQT-UHFFFAOYSA-N 442.511 5.856 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)c1cccnc1 2331115644 CXUSRIKCTOYXBP-UHFFFAOYSA-N 428.271 5.512 30 10 IKEE CCCCc1nnc(SCc2ccccc2C)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2331322807 TVKKILVRFGIJOE-UHFFFAOYSA-N 443.960 5.665 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3ccccc3F)nnc2C(C)(C)C)c1 2331396979 VNFTWUJLQATLIL-UHFFFAOYSA-N 426.561 5.678 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(CC(C)C)n2N=Cc2ccc(Cl)cc2)cc1 2331443371 GXQJJDNCJPWYSZ-UHFFFAOYSA-N 441.988 5.051 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(O)cc1 2331472564 FGKQXGYHTCUBLY-UHFFFAOYSA-N 435.380 5.664 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc(OC)c1OC(=O)CC 2331589493 NCYKCVURVFJXRW-UHFFFAOYSA-N 436.548 6.076 30 10 IKEE COCc1nnc(SCc2cccc3ccccc23)n1N=Cc1cc(Cl)ccc1O 2331595318 QUPRAINJOWWCSV-UHFFFAOYSA-N 438.940 5.111 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1N=Cc1ccc(Cl)cc1 2331666454 VIYIJBOSGCKOAB-UHFFFAOYSA-N 441.988 5.114 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SCc3ccccc3C)nnc2C(C)C)cc1 2331675794 KXUPPIYUGPFZJC-UHFFFAOYSA-N 436.625 6.453 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)c1cccc(C)c1 2331762566 NOAJXXCRUGRXCA-UHFFFAOYSA-N 448.946 6.698 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3cccc(F)c3)c([N+](=O)[O-])c2)cc1C 2331851533 MWNNMPUGEDAICU-UHFFFAOYSA-N 449.434 5.475 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cc(Cl)c(OC(=O)c2ccco2)c(OC)c1 2331871075 QHDXBVSMAAUYPN-UHFFFAOYSA-N 447.270 5.719 30 10 IKEE CC(C)(C)c1ccc(C=CC(=O)Nc2c(C#N)nnn2-c2cc(Cl)cc(Cl)c2)cc1 2332188749 MUTAKIVSRJDRTM-UHFFFAOYSA-N 440.334 5.395 30 10 IKEE C=C(C)[C@@H]1CC[C@@]2(CO)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)C(=O)CC[C@@]34C)[C@@H]12 2333224064 JYDNKGUBLIKNAM-GRFJDIJOSA-N 440.712 7.205 30 10 IKEE CCCN[C@H](C#C[C@H]1CC1(C)C)c1ccc(Br)cc1I 2365096179 NRWJFFTYTZXLOM-BLLLJJGKSA-N 446.170 5.144 30 10 IKEE C=CCC(CC=C)[C@H](OCCCN)c1sc(Cl)cc1I 2366644043 VJAGCKVRDSLRIY-AWEZNQCLSA-N 425.763 5.181 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccc(Br)c(C#N)c2)[C@@H]1C(F)(F)F 2370051385 VBUDLNJLEZHKMA-HUUCEWRRSA-N 448.283 5.063 30 10 IKEE CCCCOc1ccc(/C=C2\S/C(=N\c3ccc(C)cc3O)N(C)C2=O)cc1OC 16936090 DFOBXZMBFCASAB-PZUCIDFCSA-N 426.538 5.122 30 10 IKEE CC(C)COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2OC(C)C)cc1 21248337 AJEWIEKQBJMGFL-OFNKIYASSA-N 447.575 5.513 30 10 IKEE O=C1/C(=C\C=C\c2ccco2)S/C(=N\c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 27230309 CFGAMOYWVKJKCJ-RUKWPAEISA-N 441.339 6.951 30 10 IKEE CC(C)(C)c1ccc(/C=C2/Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc3C2=O)cc1 33663982 IOEFMRQGTYEGSP-OEAKJJBVSA-N 443.455 5.728 30 10 IKEE COc1ccc(/C=C\C(=O)c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)c(OC)c1 34955184 QHPSERXWJBCYDW-BOPFTXTBSA-N 444.527 6.117 30 10 IKEE C=CCOC(=O)C1=C(C)N(Cc2cccc(Cl)c2)C(=O)C[C@H]1c1ccc(F)cc1F 37577374 BVZHUFBFXXQNAO-IBGZPJMESA-N 431.866 5.138 30 10 IKEE Cc1cc2c(n1-c1ccc(Cl)cc1)CC(C)(C)C/C2=N\OC(=O)NC1CCCCC1 39853230 QHJNLFIEDPDYOQ-SZXQPVLSSA-N 427.976 6.175 30 10 IKEE O=C1/C(=C/c2c[nH]c3ccccc23)S/C(=N/c2ccncc2Cl)N1C1CCCCC1 40467134 QGTCFOITMUZGGB-CUAFMTEGSA-N 436.968 6.153 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(N(C)C)cc1)C3=O)CN(CCc1cccs1)CO2 41589410 XIFLVEKQCPPOMG-QRVIBDJDSA-N 446.572 5.133 30 10 IKEE C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)[C@@H](C)CO)C[C@@H](O)C[C@@H]1O 77292010 FEVQPNVYQOMSLW-PKMXVRDISA-N 428.657 5.584 30 10 IKEE in-vitro Cc1ccc(C(=O)c2c(/C=C\c3ccc(N(C)C)cc3)oc3cc(C#N)c(C#N)cc23)cc1 96837503 XOKRZCINIOKPRL-JYRVWZFOSA-N 431.495 5.952 30 10 IKEE Clc1ccccc1CO/N=C1\CCCc2c1cc(-c1ccccc1)n2-c1ccccc1 100391067 CQGWLYUMAVBQAA-XLVZBRSZSA-N 426.947 7.055 30 10 IKEE CCCCCCCCCCCCCC(=O)Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1 100442459 QMTYNWUYEWOBCD-DEOSSOPVSA-N 430.633 6.235 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)/C(=C(\O)c4ccccc4)[C@H]3c3ccco3)sc2c1 102911750 HGMBSJAACADSDG-GOBJLOIFSA-N 430.485 5.078 30 10 IKEE O=C1/C(=C\c2cccc(F)c2)Oc2cc(OCc3c(F)c(F)c(F)c(F)c3F)ccc21 107280382 WKMHMGILORXXHV-FRKPEAEDSA-N 436.307 5.716 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2cccc(OC)c2)cc1 169933786 HXEQUPJRTFYOPD-VWLOTQADSA-N 441.527 5.657 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2CCC)cc1 169976210 AUCLPJWLRBROOM-XMMPIXPASA-N 449.547 5.179 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2cccs2)c1 169983759 CQPXEVMRTGWKIE-FQEVSTJZSA-N 441.455 5.208 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2ccccn2)cc1C 169993943 RWFWZFBLESSWOT-JOCHJYFZSA-N 432.907 5.443 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2ccccc2)c1 170051851 JFCMFKIFOUKDDQ-QHCPKHFHSA-N 447.918 5.830 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccccc2)cc1 170054420 JCQFGJKEEZTZFO-DEOSSOPVSA-N 427.500 5.091 30 10 IKEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccccc2)cc1 170055789 FQZVXSICTVHMHG-SANMLTNESA-N 441.527 5.183 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2ccccc2F)cc1 170069101 PLWRXZDGCAOVNK-HSZRJFAPSA-N 431.463 5.180 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccccc2C)s1 170088444 NMKYCKLGJZFYKF-IBGZPJMESA-N 440.471 5.129 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@H]1c1ccc(OC)cc1 170116147 JCTCKSDJYCYZTH-HXUWFJFHSA-N 443.927 5.044 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2Cc2cccs2)c1 170139165 VWQFOYNZJLCBEP-HSZRJFAPSA-N 447.556 5.622 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccc(C)c2)cc1C 170139225 GCDZTFOBXSNIHH-HSZRJFAPSA-N 447.556 5.542 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2OC)[C@H]1c1ccc(OC(C)C)cc1 170152055 PAXKFFPUOSHKSV-HSZRJFAPSA-N 437.536 5.169 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC(C)C)cc3)[C@H]2c2cccs2)c1 170156627 RXKNYEQOVDWAST-HSZRJFAPSA-N 447.556 5.874 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2cccs2)c(C)c1 170158276 XOKSXMFGIBHVJN-JOCHJYFZSA-N 433.529 5.465 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1cccs1 170162171 OEBQKWQAJYYSOM-UTKZUKDTSA-N 439.577 5.111 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(Cl)c3)[C@@H]2c2ccncc2)c1 170200800 WWGBERQYKBRAJQ-FQEVSTJZSA-N 439.298 5.480 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(OCC)c(OC)c1 170216528 NBBMZKGSHLHHKH-DEOSSOPVSA-N 445.515 5.235 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)c(Cl)c2)=C(O)C(=O)N1C[C@@H]1CCCO1 170273643 ZGBONHFGUYWFHI-MGPUTAFESA-N 446.330 5.059 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccco2)c1 170286674 ZOUFPVUJJDGVSB-LJQANCHMSA-N 444.270 5.378 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2ccc(F)cc2F)o1 170305715 VECYWFQGXKIKOU-OAQYLSRUSA-N 434.398 5.130 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)=C(O)C(=O)N1c1cccc(F)c1 170313719 QLKOQDQHMNGTSR-SZNDQCEHSA-N 449.503 5.302 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1cccc2ccccc12)c1cccs1 170369495 LKVRTOJKQAWFTE-JOCHJYFZSA-N 447.462 5.962 30 10 IKEE Cn1cc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(Cl)cc2)c2ccccc21 170395594 DUOICTKFAAYMOM-NRFANRHFSA-N 448.931 5.676 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)CC(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)c1 170471589 NAIOQSSHGIBVER-RUZDIDTESA-N 433.592 6.112 30 10 IKEE CCCN1C(=O)/C(=C\c2cc(Cl)cc(Cl)c2O)SC1=Nc1ccc(OC)cc1 252633581 WEIVKJJCZYEXGE-ZZYMSUEGSA-N 437.348 5.722 30 10 IKEE C=C1SC(=Nc2ccccc2Cl)N(C(=O)c2cc(OC)c(OC)c(OC)c2)C1(C)C 254379971 BGECDPQPDUUSHA-UHFFFAOYSA-N 446.956 5.535 30 10 IKEE CC1CCN(c2ccc(N(CCCC#N)S(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 586216334 UOEYJRWQBKDHLW-UHFFFAOYSA-N 431.989 5.075 30 10 IKEE N#Cc1cccc(NC(=O)Nc2ccc(C(=O)NCc3cccc(C(F)(F)F)c3)cc2)c1 586690032 YNWDMPIRTVCBGC-UHFFFAOYSA-N 438.409 5.151 30 10 IKEE CCCCCCC[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NC 686824500 STWKSMXWGUSIFI-XMMPIXPASA-N 445.692 5.885 30 10 IKEE CC(C)(C)OC(=O)N1CCc2cccc(CNc3ccc(Br)c(C#N)c3)c21 690219119 RNDILEDGSREIBR-UHFFFAOYSA-N 428.330 5.230 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCCCC12CCCC2 698441621 BLMATSSJEMSPDD-JOCHJYFZSA-N 433.390 6.587 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCCC[C@@H]1C(C)(C)C 698453786 GPCIOSVAXLLPNK-GCJKJVERSA-N 435.406 6.689 30 10 IKEE C[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)CN1Cc1ccccc1 698889558 DUCJLEIATQHMDG-MHECFPHRSA-N 425.960 5.638 30 10 IKEE C[C@@H]1[C@H]2CC[C@@H](C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1)N2C(=O)OC(C)(C)C 709311905 GUXLZQRVGQZJOW-NAOGDZDTSA-N 441.572 5.498 30 10 IKEE Cc1ccc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2cc(O)cc(Cl)c2)cc1C 762438263 LJOBHBKLIFLBOS-UHFFFAOYSA-O 436.944 5.145 30 10 IKEE O=C1/C(=C\c2c(Cl)cccc2Cl)SC(=Nc2nccs2)N1c1ccccc1 1772733296 IYBTWRZQLDHQOC-GESHDMKESA-N 432.357 6.259 30 10 IKEE CCOc1ccc(/C=C2/SC(=Nc3ccncc3Cl)N(C3CCCCC3)C2=O)cc1 1772734410 DDCZUJIDBWGIJF-OMYHDSEFSA-N 441.984 6.070 30 10 IKEE Cc1c(C(=O)Nc2ccccc2F)oc2c1C(=NNc1cccc(C(F)(F)F)c1)CCC2 1772751238 YGFYZGVIBYMEFW-UHFFFAOYSA-N 445.416 6.151 30 10 IKEE O=C1/C(=C/c2cc(Cl)ccc2O)SC(=NN=Cc2ccccc2)N1Cc1ccco1 1772757335 DAGVJYYTVJQEMV-GBUPQRAWSA-N 437.908 5.145 30 10 IKEE CC(C)c1ccccc1NC(=O)Oc1cccc2c(NC(=O)c3cccc(C#N)c3)cccc12 1858780286 SQCJWDVPCYKPBC-UHFFFAOYSA-N 449.510 6.698 30 10 IKEE C=CCNC(=O)Oc1cccc2c(NC(=O)c3ccccc3Br)cccc12 1858933656 CMBIEBKBGHIKQC-UHFFFAOYSA-N 425.282 5.129 30 10 IKEE CCCCCCCCNC(=O)[C@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccccc1 1861099023 DHVVPDIEGUOVAN-MMYRTMNYSA-N 426.988 5.687 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)Cc1c[nH]c2ccccc12 1861388132 IALPFXPCGDZXJR-XMMPIXPASA-N 427.633 5.642 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)c1ccc2nc(CCC)[nH]c2c1 1861454647 XECANTBRUSCAHF-HXUWFJFHSA-N 428.621 5.281 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc(O)c1)c1ccc(Cl)cc1Cl 1862382645 NMEPKPUYOLWNRT-LJQANCHMSA-N 444.270 5.071 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(CC)cc2)cc1 1862390657 JDYHLXPBMLPJKZ-VWLOTQADSA-N 443.543 5.963 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(C)cc1 1862413092 UXNZSSUXPIPGIQ-HSZRJFAPSA-N 449.453 5.060 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)c1 1862413354 ARWVDSLCHPPQMU-JEWAVWJGSA-N 441.474 5.130 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccccc2)cc1OCCC 1862424694 GJTRHOXJNHFDDQ-HSZRJFAPSA-N 437.536 5.251 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1cccc(F)c1)c1ccccc1Cl 1862430270 HGULUIBXRLISDA-NRFANRHFSA-N 439.845 5.397 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862431280 DDFHCOQFXBVXLP-DEOSSOPVSA-N 445.946 5.989 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCCOC(C)C)cc1 1862441216 CCVLQVOVQSDJOF-NRFANRHFSA-N 427.928 5.042 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccc(Cl)c2)cc1 1862477510 YVZOAOFLLHJQDP-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(N(CC)CC)cc1 1862509596 MDVIAMUFDLSFFC-SBUREZEXSA-N 438.543 5.357 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccc(F)cc2)cc1 1862530011 MHBJRHPYUIGXNL-XDHUDOTRSA-N 429.491 5.728 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2cccc(F)c2)cc1 1862530842 YZTGTCHUNGHYHW-DEOSSOPVSA-N 429.491 5.475 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1cccc(C)c1 1862531875 DMOWEPOABQVMLQ-NOZRDPDXSA-N 433.592 6.495 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(F)cc2F)cc1 1862534268 QAMCKOYWYJZSTJ-DEOSSOPVSA-N 447.481 5.348 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1c(F)cccc1Cl)c1ccc2c(c1)CCCC2 1862548947 DJZGCBDVPWAGOC-OAQYLSRUSA-N 425.887 5.099 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862560461 IAXRVCGCVAKQDF-BVZFJXPGSA-N 440.543 5.732 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1cccc(Cl)c1)c1cccc(O)c1 1862591078 CRRKFVRSTXOSCK-NRFANRHFSA-N 425.912 5.347 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(O)c(O)c2)cc1 1862618536 VJKUVLPGZMHVBI-HSZRJFAPSA-N 449.547 5.306 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccc1C 1862648615 GPSAXDXTPBMAOE-XMMPIXPASA-N 429.516 5.153 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(F)cc1F 1862651656 WZSBCWIYWAKUMA-QHCPKHFHSA-N 435.470 5.742 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)c1 1862661221 UTQLMUSTQPGYAV-RZPHLTDDSA-N 431.576 6.275 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccccc3C(F)(F)F)C2=O)cc1 1862897878 LKOFPJNLBFIGJH-UHFFFAOYSA-N 447.416 5.282 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(F)c(Cl)c2)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863277479 BQJIPYZGUFKTQK-UHFFFAOYSA-N 425.674 5.164 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(C)cc2C)=C(c2ccc(OCc3ccccc3)cc2)C1=O 1863365367 BTKZUPUVFYMDHN-UHFFFAOYSA-N 438.527 5.260 30 10 IKEE CC(C)c1nc(Nc2ccc(C#N)cc2)cc(N2CCO[C@H](c3ccc(Cl)cc3)C2)n1 1868242017 GGHRGYWKIQVWFR-NRFANRHFSA-N 433.943 5.447 30 10 IKEE CC(C)c1nc(Nc2ccc(C#N)cc2)cc(N2CCC(Oc3ccc(Cl)cc3)CC2)n1 1868242303 MBDNECJJIXDLLG-UHFFFAOYSA-N 447.970 5.916 30 10 IKEE CCCc1nc(Nc2ccc(C#N)cc2)cc(N2C[C@H](c3ccc(F)cc3)O[C@H](C)C2)n1 1868401420 YZNUEPBMWAUZFT-VGOFRKELSA-N 431.515 5.150 30 10 IKEE C[C@@H]1CN(c2cc(Nc3cccc(C#N)c3)nc(-c3ccc(Cl)cc3)n2)C(C)(C)CO1 1868424061 NLHSYLKJSPDKRM-MRXNPFEDSA-N 433.943 5.416 30 10 IKEE CCCCCCCOc1cn(CCC)c(CSCc2nc3ccccc3[nH]2)cc1=O 1870252341 OJWBZCKPCHOBMT-UHFFFAOYSA-N 427.614 5.917 30 10 IKEE C=CCn1cc(OCCOc2ccc(Cl)cc2)c(=O)cc1CSc1ccccc1 1870266269 VKWHEMNEYIHTFU-UHFFFAOYSA-N 427.953 5.438 30 10 IKEE CCCCCCCOc1cn(CCc2ccccc2)c(CN(CCO)CCCC)cc1=O 1870409051 JDDGZYQBZGXDNL-UHFFFAOYSA-N 442.644 5.035 30 10 IKEE CCCCCCCCCCn1cc(OCC)c(=O)cc1CNc1ccc(CCCC)cc1 1870785116 KCUCHDGACKUEQK-UHFFFAOYSA-N 440.672 7.342 30 10 IKEE CCCCCCCCCCN=c1nc2c(cnn2C)c(Nc2ccc(N3CCCC3)cc2)[nH]1 1871298585 BLCMFYVSZCXSFB-UHFFFAOYSA-N 449.647 5.682 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN(Cc2ccccc2F)C3)C1=O 1871352683 XIQDVUIACQMYQM-CFRMEGHHSA-N 445.490 5.501 30 10 IKEE O=C(COc1ccccc1)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O 1871364814 UUEJAJVPAFENKM-FBHDLOMBSA-N 441.266 5.594 30 10 IKEE Cc1c(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cccc1[N+](=O)[O-] 1871372358 MWNRSCWVKBUHTC-NHDPSOOVSA-N 435.819 5.392 30 10 IKEE Cc1c(OC(=O)Cc2cc(Cl)ccc2Cl)ccc2c1O/C(=C\c1ccncc1)C2=O 1871376440 KWGLTZCZCDXOCG-JMIUGGIZSA-N 440.282 5.461 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OC(=O)/C=C/c4cccc([N+](=O)[O-])c4)c3C)C2=O)cc1 1871377297 DZJIXRSXFPSANJ-BESOIZRISA-N 441.439 5.447 30 10 IKEE C=CCOc1ccc2c(=O)c(Oc3ccc(C(=O)OCC)cc3)c(C(F)(F)F)oc2c1 1871414821 PJXRPAYDKLYJNW-UHFFFAOYSA-N 434.366 5.346 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3cc(OCc4cc(C)c(C)cc4C)ccc3C2=O)c1 1871417636 NOZMJAJYTPWMQI-ZMFRSBBQSA-N 430.500 5.824 30 10 IKEE CCCOC(=O)[C@H](CC)Oc1ccc2c(c1C)O/C(=C\c1c(F)cccc1Cl)C2=O 1871433331 MFXWDYJBJMUUDT-HRVJUDJTSA-N 432.875 5.514 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 1871793547 AVHRKAQGOURACQ-QFIPXVFZSA-N 449.016 5.269 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1cccs1 1872009548 CMFORBNSJGPYNK-FQEVSTJZSA-N 448.654 5.420 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(C)c(C)c1 1872512801 ARXYUGYJSWGXFC-XMMPIXPASA-N 442.625 5.294 30 10 IKEE Cc1ccc(C)c(-c2csc([C@H](C#N)C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)c1 1872773348 ZBFQEONPNNNFKE-LJQANCHMSA-N 446.532 5.425 30 10 IKEE CCCCCCCCCCNC1=C(c2c(C)cc(C)cc2C)C(=O)N(CCCCC)C1=O 1873119795 NXMYVYLHAYMCOB-UHFFFAOYSA-N 440.672 6.612 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(OC(C)C)cc2)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873276365 CZSIJYYSGMESHJ-UHFFFAOYSA-N 438.527 5.519 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1cccc(C)c1)n2CC(C)C 1873621616 ZOAIJAUMZBWUEL-UHFFFAOYSA-N 435.616 6.420 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)cc2c(NCCCCN(CC)CC)ncnc21 1873630355 XPZGNHHQFBDIJE-UHFFFAOYSA-N 448.615 5.020 30 10 IKEE Cc1c(CC(=O)Nc2ccc(C#N)cc2)c(=O)oc2c(C)c3occ(-c4ccccc4)c3cc12 1873864734 WBHCJACFYUTYGO-UHFFFAOYSA-N 448.478 5.876 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccc(CC)cc1 1874230423 IVMNEYHJWQSWTR-DHRITJCHSA-N 441.000 5.932 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2/N=C/c2cccc(OCCC)c2)CC1 1874287789 XIJVSZZJSCQTGN-LGUFXXKBSA-N 442.673 6.915 30 10 IKEE C=CCSc1nnc(CCc2ccccc2C)n1/N=C/c1ccc(Br)cc1 1874362005 ITAYZLBVFWKQRM-HZHRSRAPSA-N 441.398 5.295 30 10 IKEE Fc1ccc(Cc2nnc(SCc3c(F)cccc3Cl)n2/N=C/c2ccco2)cc1 1874382586 XRQPFNUMHQZTJV-BRJLIKDPSA-N 444.894 5.568 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2/N=C/c2cccc(C)c2)cc1 1874387578 UMWLTFUZTYLCNU-JVWAILMASA-N 430.552 5.799 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2Cl)n1/N=C/c1ccccc1O 1874395338 KEQNTTUXPGJWSS-AEIQVQRHSA-N 448.979 5.963 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(-c2ccco2)n1/N=C/c1ccccc1 1874468160 UZNLFEREEKLXNQ-FSJBWODESA-N 429.332 6.019 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2ccccc2C)cc1C 1874480799 DXTHUKXXXMWPEG-AFUMVMLFSA-N 435.597 5.114 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(C(=O)O)cc1 1874511008 GPHMMYFJPOLVFQ-FOKLQQMPSA-N 449.363 5.410 30 10 IKEE COc1cc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C(C)C)ccc1O 1874515434 XMLYRIIZQATRAX-AFUMVMLFSA-N 432.549 5.443 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SCc3ccccc3F)nnc2C2CC2)cc1 1874520040 YSPAYLPKRPYEBV-WGOQTCKBSA-N 438.572 6.038 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCC(=O)N(CC)CC)cc1 1874572822 HTZDOUZTCSQWSK-OUKQBFOZSA-N 429.944 5.054 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Br)ccc2OCc2ccc(F)cc2)cc1 1874574729 CBQSBULDTAQJPJ-WUXMJOGZSA-N 441.296 6.072 30 10 IKEE Cc1ccc(C(=O)/C=C/c2c(OCC(=O)Nc3nccs3)ccc3ccccc23)cc1 1874579489 QUNVJRADYWPCPF-VAWYXSNFSA-N 428.513 5.518 30 10 IKEE CCN(CC)C(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1cc(C)cc(C)c1OC 1874586166 YXDZBOLCNIXYHR-BUHFOSPRSA-N 445.559 5.609 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3ccc(C)cc3C)c2)cc1 1874594995 OPPGPQXCUKOCHZ-AWNIVKPZSA-N 445.515 5.234 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OCc1nc(O)c2ccccc2n1 1874598832 HJSMWJHEGBHVTC-FMIVXFBMSA-N 440.499 5.436 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1C 1874606884 LPMHTWJPTJRSGB-RMKNXTFCSA-N 427.327 6.786 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3nccs3)c(Cl)c2)cc1 1874614035 ZXNGDMMJPIBQES-YCRREMRBSA-N 442.924 5.109 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1 1874624212 RINOKIIAEXRPIB-WOJGMQOQSA-N 427.544 6.286 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OCC(=O)Nc1cccc(C)c1 1874625332 XYTBHJZLWINAPQ-KPKJPENVSA-N 449.478 5.065 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Cl)c1OCc1ccc(Cl)cc1 1874626171 PRUQYTPUSKXVGR-RUDMXATFSA-N 449.280 6.755 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OCc3cc(C)ccc3C)c([N+](=O)[O-])c2)c(C)c1 1874635763 XQJHBVKUCLHXRN-CSKARUKUSA-N 429.516 6.612 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OCc1ccc(F)cc1 1874638049 GGZOUZRFFOTLLJ-ONNFQVAWSA-N 431.290 6.616 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(F)c(F)c3)c2)cc1C 1874696277 PPSBATVCMVYXRD-RUDMXATFSA-N 438.426 5.406 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cc(Br)c(O)c(Br)c1 1874719442 JVOUSLZHMBRXKT-DUXPYHPUSA-N 446.522 5.475 30 10 IKEE CCCCCCCCC(=O)Nc1ccc(C(=O)CCN(CCCC)CCCCCC)cc1 1874757381 RCSVGYSQBUWGNQ-UHFFFAOYSA-N 444.704 7.631 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](C)CSc2nnc(COc3ccc(C)cc3C)n21 1875025795 ZWPBBQJJQJLHIC-IBGZPJMESA-N 430.618 5.183 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)c1 1875102874 RHUKZYIAHUCJEA-KPKJPENVSA-N 437.835 5.372 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)Cc1ccc(F)c(C)c1 1875129134 MKUANRHFHGOZSU-WYMLVPIESA-N 444.502 5.915 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(OCC)cc2)cc1OCC 1875130602 YMCJNFMDQRKWNR-NTEUORMPSA-N 430.928 6.129 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 1875136975 PRBCXUIBDXVMCU-MKMNVTDBSA-N 431.444 5.417 30 10 IKEE O=C(Cc1cccs1)Oc1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1 1875165167 PECNYLBTQWWGTO-LICLKQGHSA-N 440.520 6.585 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)C(F)(F)F 1875174715 FRNWTPWDYNMJKT-SOFGYWHQSA-N 426.818 5.719 30 10 IKEE C=CCn1c(C(=O)N(C)Cc2ccccc2)cc2c(NCc3ccccc3Cl)ncnc21 1875228152 BTPUAWDZYVDPFU-UHFFFAOYSA-N 445.954 5.155 30 10 IKEE O=C(NCC#CCN1CCc2ccccc2C1)c1ccc(-c2ccc(Cl)c(Cl)c2)cc1 1891672000 TVLLGMCPBORJPU-UHFFFAOYSA-N 449.381 5.452 30 10 IKEE Cc1cc(Br)c(F)c([C@H](C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)c1 1912194368 KKPVGGMROXYDEY-AWEZNQCLSA-N 426.290 5.399 30 10 IKEE C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 1949706307 GISKRVSFYVXUBL-SFTDATJTSA-N 425.617 5.607 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@@]1(C#N)CCCC[C@@H]1OCc1ccccc1 1998814827 OYWWSVLPBCNCCN-WIOPSUGQSA-N 440.971 6.503 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@]1(C#N)CCN(Cc2ccccc2)C(C)(C)C1 2022263250 CPVVHEFEARVSRJ-VWLOTQADSA-N 439.625 5.822 30 10 IKEE Cc1ccc(C23C[C@H]4C[C@@H](CC(CN=Cc5cc(Br)ccc5O)(C4)C2)C3)cc1 2053472016 GCVZMEBNERJKMV-DLKVDTICSA-N 438.409 6.420 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)[C@H]1C1CC1 2067978212 CACRAWOJWJZKGI-NTKDMRAZSA-N 445.535 5.249 30 10 IKEE C=CCC[C@H](COc1ncc(Br)c2ccsc12)NC(=O)OC(C)(C)C 2078078332 AWCOXJQVNCWXNB-GFCCVEGCSA-N 427.364 5.297 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@H](C#N)[C@]1(C)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2078865858 MIAVDBLIQGXKOD-CLOONOSVSA-N 443.588 5.746 30 10 IKEE Cc1ccc([C@@H](C2CCC2)n2nc(C(C)C)c(/C=N/O)c2I)cc1 2078976624 CIQMOYUIILPDHX-PGNNWUFWSA-N 437.325 5.117 30 10 IKEE COc1ccc([C@H](n2nc(C3CCC3)c(C=NO)c2Br)C2(C)CC2)c(C)c1 2079893933 BJQSDNQFCSQESJ-IBGZPJMESA-N 432.362 5.428 30 10 IKEE CC(C)(C)[C@@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)(F)F)c(C#N)c1Cl 2079958776 WUQNPLKQHHORIG-CYBMUJFWSA-N 427.751 6.220 30 10 IKEE Cc1c(Cn2nc(C3CCCCC3)c(C#N)c2Br)cccc1C(F)(F)F 2080311325 JXYTXCOBAADSLK-UHFFFAOYSA-N 426.280 5.941 30 10 IKEE Cc1cc(Br)ccc1-c1c(C2CCCCC2)nn2c(Cl)c(C#N)cnc12 2081549759 NPJVHCXDTUCVRE-UHFFFAOYSA-N 429.749 6.040 30 10 IKEE C=CCC1([C@H](O)Cc2cc(Cl)c(C)c(Br)c2)CN(C(=O)OC(C)(C)C)C1 2111096019 AQIBPNFXMKSNPC-QGZVFWFLSA-N 444.797 5.128 30 10 IKEE CCN[C@@H](CC#C[Si](C)(C)C)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2130936358 WRHQQCUQYZYTAS-KRWDZBQOSA-N 439.470 5.718 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCOC12CCCCC2 2143845051 VOWKZLRGZNSBHN-HXUWFJFHSA-N 435.362 5.576 30 10 IKEE CC(C)(C)OC(=O)N1CCc2cc(Nc3cccc(Br)c3C#N)ccc2C1 2162331529 TYZWIZCDGYMSMU-UHFFFAOYSA-N 428.330 5.358 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@]2(CNc3ccc(Br)cc3C#N)CCC[C@@H]12 2165298711 CATCDRIDSPSXJB-NQIIRXRSSA-N 434.378 5.302 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@H](C#N)c1c(F)cc(Br)cc1F 2170702461 CKVDTXVHEXMBFX-MRXNPFEDSA-N 441.247 5.873 30 10 IKEE C[C@@H](c1cccc(Oc2cc(Br)cnc2C#N)c1)N(C)C(=O)OC(C)(C)C 2198826359 FRHXRBDYJWGBFS-ZDUSSCGKSA-N 432.318 5.436 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)[C@@H](C)C(C)C)s1 2247928517 AIZABKTWXHVDNW-SFHVURJKSA-N 427.419 5.043 30 10 IKEE CCN[C@H](CC=CC#CC(C)(C)C)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2256740086 RIRQSUPBYWVMJI-QTJGBDASSA-N 442.644 5.459 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cccc(Cl)c1Br 2259408589 QVZLBXNNJSJILF-RDJZCZTQSA-N 429.786 5.060 30 10 IKEE CCCN[C@H](CC#CC1CCCC1)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2261103861 XGUSFOYANYXZLB-FTBPSBKWSA-N 442.644 5.437 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCC(=O)O)c1sc(Br)c(C)c1C 2262206207 NULCNHLFAPNMMS-KRWDZBQOSA-N 425.344 5.043 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NC)c1cc(Br)cc(C(C)(C)C)c1 2273003219 MBOQFTUYCKAOJC-ZWKOTPCHSA-N 425.411 5.477 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(C#N)c(Br)c2)C[C@H]1C(F)(F)F 2279226973 DHGQEPQOQNEELQ-HIFRSBDPSA-N 448.283 5.063 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NC)c2cc(Br)cc(C(C)C)c2)C1 2280704262 PRLICDNWVRSILE-LJQANCHMSA-N 437.422 5.694 30 10 IKEE C=CCN(CC[C@H](NCC)c1cc(Br)cc(C(C)C)c1)C(=O)OC(C)(C)C 2280717538 IIYXWONONDKAPH-FQEVSTJZSA-N 439.438 6.036 30 10 IKEE C=C([C@H](OCCC(=O)O)c1cc(Br)c(Br)s1)C(C)(C)C 2291136065 MKXYAOIRZRGUAS-LBPRGKRZSA-N 426.170 5.408 30 10 IKEE O=C1C(=C2C(=O)c3ccc(Cl)c4c(Br)ccc2c34)Sc2ccccc21 2293308598 FEMHCBZWAALZHS-UHFFFAOYSA-N 427.706 6.152 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)c1sc(Cl)cc1Br 2296276666 KLMMNYVZWUYZIG-ZDUSSCGKSA-N 433.596 5.629 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)C(=C(O)c4ccccc4)[C@H]3c3ccccc3)sc2c1 2296592806 CZGHKPKGYRKNFM-JOCHJYFZSA-N 440.524 5.485 30 10 IKEE COc1ccc(C=C2C[C@@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1OC 2313830399 IXKJEQQDDXKZRU-SUISXLKUSA-N 436.592 5.590 30 10 IKEE O=C1C(=Cc2ccc(-c3ccccc3)cc2)Oc2cc(OCc3cccc(Cl)c3)ccc21 2314437706 UMRIKGIAEUXGNF-UHFFFAOYSA-N 438.910 7.202 30 10 IKEE Cn1cc(C=C2SC(=Nc3ccncc3Cl)N(c3ccccc3)C2=O)c2ccccc21 2314542793 ORKHZBOWAPJUPT-UHFFFAOYSA-N 444.947 6.035 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(Cl)cc2Cl)SC1=Nc1ccccc1C(=O)O 2314926544 LKPFJIKQVNCARE-UHFFFAOYSA-N 433.316 5.482 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OCc4ccccc4F)cc(C)c3C2=O)cc1 2321796572 WYSOSEOJYIHIQN-UHFFFAOYSA-N 431.507 6.176 30 10 IKEE CC(C)(C)c1nnc(S)n1N=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 2321908580 LYIRIDZCEHBASO-UHFFFAOYSA-N 435.380 5.632 30 10 IKEE O=C1C(=Cc2ccc(-c3ccccc3)cc2)Oc2c1ccc1c2CN(Cc2ccco2)CO1 2321962076 HPBPRPPFMWIXDV-UHFFFAOYSA-N 435.479 5.915 30 10 IKEE CCOc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(Cc1ccc(F)cc1)C3 2322052207 PEKKECNIMZBPOD-UHFFFAOYSA-N 445.490 5.501 30 10 IKEE CCCCC[C@H](CC)N1COc2ccc3c(c2C1)OC(=Cc1ccc(Cl)cc1)C3=O 2322071730 GIVAYRVXQPGOFG-IBGZPJMESA-N 425.956 6.467 30 10 IKEE O=C1C(=CC=Cc2ccccc2)Oc2c1ccc1c2CN(Cc2cccc(Cl)c2)CO1 2322211709 KFUOJDNVKPOYQV-UHFFFAOYSA-N 429.903 5.865 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(S)nnc2COc2cc(Cl)ccc2Cl)cc1 2322256120 JUAWBYOKNICBGV-UHFFFAOYSA-N 435.380 5.632 30 10 IKEE CCn1cc(C=C2Oc3c(cc4c(c3C)OCN(C3CCCCC3)C4)C2=O)c2ccccc21 2322328553 RKCBJXAAXOURLE-UHFFFAOYSA-N 442.559 6.070 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccccc2C=CC(=O)c2ccc3c(c2)CCCC3)c1 2322328635 QXHZZFJXXJOWNT-UHFFFAOYSA-N 439.555 6.096 30 10 IKEE O=C(C=Cc1ccccc1OCc1c(F)cccc1Cl)c1cccc(Br)c1 2322457360 LICDZPKSKBTNNU-UHFFFAOYSA-N 445.715 6.717 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(F)c(C)c2)c1OCc1cc(C)ccc1C 2322634623 WRYXRWXOOOJZQP-UHFFFAOYSA-N 438.926 6.888 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4ccc(Br)cc4)cc(C)c3C2=O)cc1 2322708370 DYQIWEHSMCAOTB-UHFFFAOYSA-N 449.300 5.901 30 10 IKEE CCOc1cc(C=NNc2nc(O)cc(C(C)C)n2)ccc1OCc1cc(C)ccc1C 2323248193 NDCPSPDUJOQMKT-UHFFFAOYSA-N 434.540 5.346 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OC(=O)c3ccc(C(F)(F)F)cc3)ccc2C1=O 2323351722 DLQNUTVTHVMTLG-UHFFFAOYSA-N 430.403 5.911 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3C)c([N+](=O)[O-])c2)cc1OC 2323445705 DUYBDZIOFUQXHM-UHFFFAOYSA-N 433.460 5.396 30 10 IKEE CCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)C=Cc1ccc(Cl)c(Cl)c1 2323648450 DXRUAEGFAPFPBX-FQEVSTJZSA-N 425.400 5.474 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2c(F)cccc2Cl)C3=O)cc1 2323790818 MDQRHCSZPQKUQT-UHFFFAOYSA-N 438.838 5.713 30 10 IKEE COc1cc(C=NNc2nc(-c3ccc(C)c(C)c3)cs2)cc(Br)c1OC 2323840471 HAWUAGJWCUFINU-UHFFFAOYSA-N 446.370 5.653 30 10 IKEE CCCCOc1ccc(C=NNc2nc(-c3c(C)cc(C)cc3C)cs2)cc1OCC 2323854617 DCUHBDIDOSVRRI-UHFFFAOYSA-N 437.609 6.759 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OCC(=O)Nc2ccc(C)c(C)c2)cc1 2323990976 CPVLRTNKZVCHIW-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OCc3ccccc3Cl)c([N+](=O)[O-])c2)cc1 2324066470 POGGORKOWMBZHC-UHFFFAOYSA-N 449.934 7.021 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OCc1ccccc1F 2324151949 IVJSAZZSCHFKRX-UHFFFAOYSA-N 438.926 7.086 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cc(OC)c(OCCc3ccccc3)c(OC)c2)cc1C 2324628523 ISZVZXLYUNVJCL-UHFFFAOYSA-N 446.543 5.847 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3F)c(Cl)c2)c2ccccc12 2324677130 UALHNFPCWDZRAB-UHFFFAOYSA-N 446.905 7.116 30 10 IKEE COc1ccc(OC)c(C=CC(=O)[C@@H](C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)c1 2324721943 MSXYGGHQTSAPIP-OAQYLSRUSA-N 446.572 5.951 30 10 IKEE CCCCCOC(=O)COc1ccc2c(c1)OC(=Cc1cn(CC)c3ccccc13)C2=O 2325044702 FIFNLRIHUOBZRB-UHFFFAOYSA-N 433.504 5.390 30 10 IKEE CCCCCCCCCOc1cc(C)c2c(c1)OC(=Cc1cc(OC)ccc1OC)C2=O 2325185308 IZIIYAQNTZRTQR-UHFFFAOYSA-N 438.564 6.758 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccccc2C)C3=O)c(Cl)c1 2325294415 NARSKWMIYKYBJJ-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccccc1F)C2=O 2325494650 ILKANLKAJLRJOW-UHFFFAOYSA-N 431.463 5.385 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1N=Cc1ccc(Br)cc1 2325514075 YIJQXFAZTUYLRH-UHFFFAOYSA-N 429.387 5.558 30 10 IKEE CCOc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2cccs2)C3=O)cc1 2325705181 OCGMNAYPJAFPBY-UHFFFAOYSA-N 435.501 5.089 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2ccc(C)cc2)cc1OC(=O)CC(C)(C)C 2325738189 IUDAMKMALWKELF-UHFFFAOYSA-N 445.353 6.004 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3ccc(C)cc3C(C)(C)C)c2)cc1 2325738398 RYXYXAGZWMGYSE-UHFFFAOYSA-N 442.555 6.481 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)c1 2325740383 ULUZVNIJUDJCKW-UHFFFAOYSA-N 441.527 6.061 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc1OC(=O)c1cccnc1 2325752131 UFTASNPXSPCERC-UHFFFAOYSA-N 445.515 5.512 30 10 IKEE COc1cc(C(=O)C=Cc2ccc(OC)c(OC(=O)C3CCCC3)c2)c(OC)cc1Cl 2325758788 ZQIJYCQLSPDOHS-UHFFFAOYSA-N 444.911 5.358 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1OC(=O)c1cncc(C)c1 2325772911 OKUGREUGOCTFOF-UHFFFAOYSA-N 442.298 5.821 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)c2ccc(Cl)cc2)c1 2325781680 CUJRJSFIVBTVQS-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE COc1cccc(C=Nn2cnnc2SCc2ccccc2)c1OCc1ccccc1 2326202858 DRCAOGDPIJTVKW-UHFFFAOYSA-N 430.533 5.040 30 10 IKEE CCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1ccc(O)c(Cl)c1 2326331080 AZZPYJAFSXCUMW-UHFFFAOYSA-N 443.016 6.062 30 10 IKEE Cc1ccc(CSc2nnc(C)n2N=Cc2cc(Cl)c(O)c(Cl)c2O)c(C)c1 2326433210 DEWLCOUUPCPJNI-UHFFFAOYSA-N 437.352 5.096 30 10 IKEE N#Cc1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccc(Cl)cc2)cc1 2326689064 WSHMYUSXOCEIRU-UHFFFAOYSA-N 443.963 5.568 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc(O)c(OC)c1 2326705783 MARUEYPIZQJADR-UHFFFAOYSA-N 437.352 5.036 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2C)n1N=Cc1cc(Cl)ccc1O 2327120658 UCGRYZGSFSKRGL-UHFFFAOYSA-N 444.988 5.341 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3Cl)n2N=Cc2ccncc2)cc1 2329278430 UDNNSSLLFIRMTA-UHFFFAOYSA-N 449.967 5.100 30 10 IKEE Cc1ccc(C=Nn2c(Cc3ccc(C)cc3)nnc2SCc2cccc(C)c2)cc1 2329947349 CMJOHZQXZLRRQE-UHFFFAOYSA-N 426.589 5.969 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)cc2)n1N=Cc1ccc(OCCCC)cc1 2329986312 QEPNBFNNQHTUFZ-UHFFFAOYSA-N 434.609 5.907 30 10 IKEE Fc1ccccc1CSc1nnc(CC2CCCCC2)n1N=Cc1cccc(Cl)c1 2330271424 FBUZIRPFJIFSSL-UHFFFAOYSA-N 442.991 6.368 30 10 IKEE Clc1ccc(CSc2nnc(CC3CCCCC3)n2N=Cc2ccc[nH]2)cc1Cl 2330292842 JZPNCJOVCJMKOS-UHFFFAOYSA-N 448.423 6.210 30 10 IKEE C(=Nn1c(Cc2ccccc2)nnc1SCc1cccc2ccccc12)c1cccnc1 2330501374 OGPMYDJEIQGDMO-UHFFFAOYSA-N 435.556 5.592 30 10 IKEE COC(=O)c1ccc(C=Nn2c(SCc3ccccc3C)nnc2-c2ccccc2)cc1 2330634849 PKJMVGQMIYFCFB-UHFFFAOYSA-N 442.544 5.215 30 10 IKEE COc1ccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2-c2ccccc2)cc1 2330672104 RSTSMSGUEDWXJR-UHFFFAOYSA-N 428.561 5.745 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Br)cc2)cc(Cl)c1OC(=O)C1CC1 2330881285 LBYATRSSWZRNGV-UHFFFAOYSA-N 435.701 5.323 30 10 IKEE Cc1ccc(CSc2nnc([C@@H]3CCCO3)n2N=Cc2ccc(C(F)(F)F)cc2)cc1 2330886067 JPFHIYMBECYTSK-IBGZPJMESA-N 446.498 5.631 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(F)cc2F)cc1OC 2331084223 CDOSPSJGZYKIPV-UHFFFAOYSA-N 436.882 6.399 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2Cl)cc1 2331165796 DJTVPFPVCJGBRO-UHFFFAOYSA-N 434.919 6.173 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)CCCOc1ccc(C)cc1 2331179292 LPSNTYQCOLDURO-UHFFFAOYSA-N 444.527 6.054 30 10 IKEE Oc1cccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2-c2ccco2)c1 2331226513 GACRUNMSCGYREB-UHFFFAOYSA-N 445.331 5.725 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)CC1CCCCC1 2331231921 BQYZTTWPRQLHOJ-UHFFFAOYSA-N 446.587 6.812 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)Cc1cccs1 2331318266 QMMACOLZVSQBPQ-UHFFFAOYSA-N 436.529 5.426 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(N(C)C)cc3)c([N+](=O)[O-])c2)c1 2331322854 YVSRSOYSLNEKRB-UHFFFAOYSA-N 444.487 5.393 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(C)c3)cc2[N+](=O)[O-])cc1 2331339754 DGFJNSRIWMJZAE-UHFFFAOYSA-N 433.435 5.720 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cccc2ccccc12 2331346078 XYOVXSPGHSKIDS-UHFFFAOYSA-N 434.996 6.602 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)cc(OC)c1OC(=O)C(F)(F)F 2331630500 WOYDLHSDEMALBF-UHFFFAOYSA-N 448.437 5.413 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2331709493 APXZOTPOXXULJW-UHFFFAOYSA-N 445.471 5.726 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 2331711685 UYHGFTTUDALNDJ-UHFFFAOYSA-N 445.471 5.726 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c(Cl)c2)cc1 2331818736 JPXNEKCGYXIDPC-UHFFFAOYSA-N 428.956 6.901 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccccc3C)c(Cl)c2)cc1C 2331841050 CWWDASPIIDEZJC-UHFFFAOYSA-N 434.919 6.389 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Cl)cc(Br)c1F 2337107793 XNYKEWPOZZOXQF-DOTOQJQBSA-N 447.776 5.199 30 10 IKEE CC1(C)OB(/C=C/c2ccc(N(Cc3ccccc3)CC3CCOCC3)nc2)OC1(C)C 2339544492 HZKDIUVXSIHZSR-NTCAYCPXSA-N 434.389 5.159 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]2C[C@@H]1CNc1cc(Br)cc(F)c1C#N 2360224419 DTZUNNHHNONNNM-WRSAYESZSA-N 438.341 5.050 30 10 IKEE CC[C@@H](NCc1csc(Br)c1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363838562 KZBQSVCITIVCQU-QGZVFWFLSA-N 436.224 5.051 30 10 IKEE CN(Cc1cc(Br)cs1)c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2365050317 LOJCNEYHJDLEOY-UHFFFAOYSA-N 435.196 5.187 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3Cl)nn1[C@H]2c1ccco1 1283471 UWMZCMIGDIZMJN-IBGZPJMESA-N 440.956 5.475 30 10 IKEE O=C(c1ccccc1)c1cc(Br)ccc1/N=C/c1c(O)ccc2ccccc12 1951218 RYCMKHNJKYPENL-CVKSISIWSA-N 430.301 6.290 30 10 IKEE COc1ccc(COc2ccc3c(c2)O/C(=C/C2=Cc4ccccc4O[C@H]2C)C3=O)cc1 2131664 HXUSHXYODUVSHP-HSOLMKNUSA-N 426.468 5.598 30 10 IKEE C=CCc1ccccc1OCC(=O)Nc1scc(-c2ccc(CC)cc2)c1C(=O)OC 2610051 LNYABCNOHPWCGP-UHFFFAOYSA-N 435.545 5.510 30 10 IKEE Cc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3Cl)C(C#N)(C#N)[C@@H]3C=Cc4ccccc4N23)cc1 20072391 BYXZAQQCRJRABN-GSDHBNRESA-N 449.941 5.933 30 10 IKEE Cc1ccc(/C=N/Nc2nc(SCC(=O)N(c3ccccc3)c3ccccc3)n[nH]2)cc1 20907919 LBOSSWYDJCAARP-PCLIKHOPSA-N 442.548 5.016 30 10 IKEE C(=N/Nc1nnc(SCCCc2ccccc2)[nH]1)\c1ccccc1OCc1ccccc1 21080732 ZMFHCWRTTRMTRD-NLRVBDNBSA-N 443.576 5.555 30 10 IKEE CC(C)COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccs2)cc1 21239358 USYMIBYSUNDCIL-WINIVTDRSA-N 444.600 6.762 30 10 IKEE CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2c(F)cccc2Cl)cc1 21247726 GJCFSJAJEYSPIH-WBVHZDCISA-N 425.931 5.781 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O)c1ccc(F)cc1 33368791 BWCKTJUITHQHIG-JMIUGGIZSA-N 429.230 5.968 30 10 IKEE C=C(C)[C@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 33504034 FVWJYYTZTCVBKE-RJFFTXNLSA-N 442.728 6.997 30 10 IKEE COc1ccc(/C=C\C(=O)c2cccs2)cc1Cn1nc(C)c(Br)c1C 33928277 RSVSSLWPCYJYAK-VURMDHGXSA-N 431.355 5.277 30 10 IKEE C/C(=N/OCc1ccc(F)cc1)c1cc(-c2ccccc2)n(-c2cccc(Cl)c2)c1C 35843372 OOORRRANWPXXFS-MIXAMLLLSA-N 432.926 7.186 30 10 IKEE Cc1c(/N=N/c2ccccc2C(F)(F)F)c(O)n([C@H](C)c2ccccc2)c(=O)c1C#N 39870788 ORYXNBPHQJPXCC-ZGYKPZRGSA-N 426.398 5.778 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OC(=O)c4cc5ccccc5o4)ccc3C2=O)c1OC 41352717 SGICJYSECRLALL-XKZIYDEJSA-N 442.423 5.285 30 10 IKEE C#CCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1OC 59676338 GDIMIXGTAWYDCW-WPWMEQJKSA-N 444.556 5.650 30 10 IKEE CCOc1c(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cccc1OC 59676434 JOMOAGWLIIOXIE-WGOQTCKBSA-N 434.561 6.037 30 10 IKEE N#Cc1c(NC(=O)Cn2ccc3c(OCc4ccccc4)cccc32)sc2c1CCCC2 96777806 ZARLBQZEMLEGIC-UHFFFAOYSA-N 441.556 5.671 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2ccc(OCCCC)cc2)cc1 100154330 JVBSGVKQQHAGAY-UHFFFAOYSA-N 442.625 6.342 30 10 IKEE Cc1c(/N=N/c2ccc(/N=N\c3ccccc3)cc2)c(O)n(Cc2ccccc2)c(=O)c1C#N 101146235 WYUGHMYIWPFPHI-GILIAAGRSA-N 448.486 6.613 30 10 IKEE C=CC(=O)NCc1nc2ccccc2n1CCCCCCCCCCCCCCCC 102130357 HNOIYTXZLRYJGJ-UHFFFAOYSA-N 425.661 7.320 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1 103778324 RCTPHHIWWYKQGB-UHFFFAOYSA-N 430.976 5.778 30 10 IKEE CCCCCCCCCCCCCC1=C([C@H](O)[C@@H](CO)NC(=O)CCCCCCC)C1 137808406 WHXCOSOMEQMKRN-VPUSJEBWSA-N 437.709 6.586 30 10 IKEE CCCOc1c(Cl)cc([C@H]2NC(=S)N(CCC)C3=C2C(=O)CCC3)cc1OCC 169930006 KNJGEWZLJZBCHA-HXUWFJFHSA-N 437.005 5.176 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2cc(C)ccc2C)c1 169933118 OIOYNJKDWIKZDT-VWLOTQADSA-N 441.527 5.712 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1c1ccc(C)c(C)c1 169943182 HDURLEJQEMTQQM-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@@H]1c1ccc(O)cc1 169963052 MUFNXNYDWFUJEI-XMMPIXPASA-N 443.499 5.109 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@H]2c2cccs2)c1 169987035 PEXQSKAFFCGVRG-FQEVSTJZSA-N 439.920 5.501 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(OCC)cc2)=C(N(C)c2ccccc2)C1=O 169993789 XHXWAYIVUCKBKN-UHFFFAOYSA-N 434.580 5.662 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1)c1cc2ccccc2o1 170062822 AGVIDXQSKKQNME-QFIPXVFZSA-N 447.849 6.008 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1c[nH]c2ccccc12 170073492 WXTYECWOLQCCNI-HSZRJFAPSA-N 442.446 5.099 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(C)cc2)=C(N2CCc3ccccc3C2)C1=O 170077454 HOZPZSKBMPNHAU-UHFFFAOYSA-N 430.592 5.494 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@H]1c1cccc(C)c1 170147310 VMHFLORUKJUDHR-OAQYLSRUSA-N 427.928 5.426 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1cccc(OC(C)C)c1 170152982 QGFYTQNFSHAZIC-HSZRJFAPSA-N 437.536 5.169 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2cccs2)cc1 170157661 RTBCKTXBWXRSHT-HSZRJFAPSA-N 445.540 5.418 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1cccs1)c1ccc2c(c1)CCCC2 170166922 KFBKANMVFPBBHA-QHCPKHFHSA-N 447.531 5.545 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccncc2)c1 170205595 QCZRFLXSXDIOPP-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2C2CCCC2)cc1 170214565 YXHOSJJIBYHRSX-HSZRJFAPSA-N 430.504 5.088 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccccc2)cc1 170223124 HVFVGKYCZJXFMB-QHCPKHFHSA-N 449.453 5.537 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@@H]2c2ccccc2)cc1C 170224409 CJLFHGXAFSSTKB-RUZDIDTESA-N 441.527 5.739 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1ccccc1)c1ccc2c(c1)CCCO2 170229276 QSCDDKYQVPXMHZ-QHCPKHFHSA-N 447.437 5.073 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1Cl 170239522 FWCYUHVGZPTVGL-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccc2F)cc1C 170249791 XJQVDBAWSCGHDT-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccco1 170288625 ZNDSKLRMGFZHEU-QHCPKHFHSA-N 447.918 5.903 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@@H]1c1ccco1 170289317 IYJVSHXVSUJUDW-JOCHJYFZSA-N 431.488 5.305 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)o1 170305221 FEOLMDHPMBUMRM-QHCPKHFHSA-N 442.471 5.030 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1sccc1C 170312643 KSHNZZDTGCNKJF-IBGZPJMESA-N 439.558 5.214 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2sccc2C)c1 170314946 LMEDCKTWHAFPAM-IBGZPJMESA-N 439.920 5.501 30 10 IKEE CCCCCCCCCCCc1ccc(C(=O)Cc2ccc(Br)cc2)cc1 205792911 ZNVYABAJPAIZBK-UHFFFAOYSA-N 429.442 7.948 30 10 IKEE CCOc1cc(/C=C\C(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1OC(F)F 209947581 FJRPWHGQXHDKID-ZHUYAKLQSA-N 432.492 5.733 30 10 IKEE O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)N1CCCS/C1=N/c1ccccc1 221968661 QWGATHOOTNWLKQ-STFFCZHHSA-N 447.442 5.764 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)SC1=Nc1ccccc1 252616902 KIDYNMCMMLZZCH-AWAAXKIWSA-N 449.488 5.487 30 10 IKEE N#Cc1cc(Br)ccc1OCc1cc(Cl)ccc1I 404977090 ZVHUIGBQWZAMER-UHFFFAOYSA-N 448.485 5.158 30 10 IKEE Cc1ccc(-c2csc3ncnc(Nc4ccc(OCc5cccc(C#N)c5)cc4)c23)cc1 586471603 IXVMYQBRKSDDJE-UHFFFAOYSA-N 448.551 6.861 30 10 IKEE N#Cc1ccccc1NC(=O)Nc1cccc(C(=O)Nc2cccc(OC(F)(F)F)c2)c1 586731687 LIEFIENATNDTMY-UHFFFAOYSA-N 440.381 5.353 30 10 IKEE COc1nsc([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)c1Br 690136449 KBWUHENSWJBTDF-GFCCVEGCSA-N 430.368 5.049 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 698442480 MRXFEXAEKFTGHY-BXKMTCNYSA-N 445.560 5.118 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 698990108 VFJNKMMEZRMYNX-CYFREDJKSA-N 445.560 5.118 30 10 IKEE CC[C@](C#N)(C1CN(C(=O)OC(C)(C)C)C1)N(C(=O)OC(C)(C)C)c1ccc(C)cc1 716139843 XRXVCKLFYXFSNH-DEOSSOPVSA-N 429.561 5.276 30 10 IKEE CCN(CC)c1ccc(C=NNc2nc(SCc3c(C)cc(C)cc3C)n[nH]2)c(O)c1 1083997858 XXCAFUXYPLOILD-UHFFFAOYSA-N 438.601 5.020 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)S/C1=N/c1ccc(O)cc1C(=O)O 1614232667 BFOYLUVLRWXRTR-NOCMUDSWSA-N 449.315 5.187 30 10 IKEE C[C@@H]1C/C(=N/c2ccc(F)cc2)c2cc(F)ccc2N1C(=O)c1ccc(C(C)(C)C)cc1 1615948560 JZSBZOVDHSKCNJ-PPUGZXKBSA-N 432.514 6.822 30 10 IKEE CN(C)c1ccc(/C=C2\SC(=Nc3cccnc3Cl)N(c3ccccc3)C2=O)cc1 1772733387 NGRQXENZPCLJJM-OIYMOPNQSA-N 434.952 5.610 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] 1861130208 PYOYQRZWRPZBSM-XGAHLHMBSA-N 431.577 5.150 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)/C=C/c1ccco1 1861787958 BVEPABIADXVXBZ-GQRCBVMOSA-N 442.575 5.416 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2cc(Cl)cc(Cl)c2)cc1 1862394483 MMFAOXGZQUCXGO-OAQYLSRUSA-N 446.374 6.324 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862394838 KXAKJVZDJSEBTP-RUZDIDTESA-N 433.592 6.531 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc3c(c2)OCCO3)cc1 1862397438 PHPKODCWXDQLDJ-DEOSSOPVSA-N 449.547 5.035 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1F 1862414409 ZIFOCJACAVNQMM-OAQYLSRUSA-N 429.438 5.405 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccccc1Cl)c1ccc(F)cc1F 1862416482 GWTXVKPVMCILIR-FQEVSTJZSA-N 431.866 5.529 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccccc1F)c1ccccc1Cl 1862430803 SFKAKMZLGLPKBQ-OAQYLSRUSA-N 439.845 5.397 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc2c(c1)CCCN2C 1862442603 FZFCSLQAMGDXGP-OYHNWAKOSA-N 438.955 5.099 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(Cl)cc1Cl 1862467526 RTFSZBGXNIVLLT-INIZCTEOSA-N 430.209 5.009 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(Cl)cc1 1862556706 COGOOHABJCVEOC-IFMALSPDSA-N 440.971 5.859 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1 1862582105 WQVMKQJCCMBVNW-LJQANCHMSA-N 436.310 5.757 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1c(F)cccc1Cl 1862644230 GRGUPEIZFWWGFK-JEOXALJRSA-N 435.854 5.004 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc(O)c1 1862649525 AJDVYAPBWYZIQR-HFJWLAOPSA-N 449.506 5.885 30 10 IKEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CCCC2)cc1 1862666937 OWBRQWVEYBXALB-QHCPKHFHSA-N 447.531 5.118 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862674065 RVLWEDONCYQSFE-XMMPIXPASA-N 429.491 5.475 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cccc(Cl)c1)c1ccc2ccccc2c1 1862711961 GSACGTHUJHAVHW-XMMPIXPASA-N 445.946 6.404 30 10 IKEE N#Cc1ccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3cccc4ccccc34)C2=O)cc1 1862764830 CZDUGXMNPGXOTR-UHFFFAOYSA-N 433.442 5.247 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccc(Cl)cc2)=C(c2ccc(C)cc2)C1=O 1863621719 TUNUSBJSYNVDJV-UHFFFAOYSA-N 438.999 5.879 30 10 IKEE Cc1ccc2cc3c(nc2c1)N(c1cc(Nc2cccc(C#N)c2)nc(C(C)(C)C)n1)CC3 1868332651 HQKBZKWAEFILHN-UHFFFAOYSA-N 434.547 5.940 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCC[C@@H](C)C1 1870349169 CYBHOACXMAGWHR-HSZRJFAPSA-N 449.639 5.891 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc(Cl)c2)cn1CCCOC(C)C 1870408096 TXLHCYCQKSGUSW-UHFFFAOYSA-N 445.003 5.070 30 10 IKEE C=CCOc1cn(Cc2ccco2)c(CNc2ccc(OCCCCCC)cc2)cc1=O 1870811380 WYQORNSSAVHGSQ-UHFFFAOYSA-N 436.552 5.626 30 10 IKEE C#CCOc1cn(CCc2ccccc2)c(CNc2cc(Cl)cc(Cl)c2)cc1=O 1871005589 NWEBPFWURVADLA-UHFFFAOYSA-N 427.331 5.022 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc4c(c1)OCO4)C3=O)CN([C@H]1CCCC[C@H]1C)CO2 1871355889 LKHJUWMNFFEARM-JQDIHAQVSA-N 433.504 5.071 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc(F)cc4)ccc3C2=O)cc1OC 1871365654 CHURKPHBWNDLIX-WKRDLGCKSA-N 446.430 5.078 30 10 IKEE Cc1cc(OC(=O)c2ccc(-n3cccc3)cc2)cc2c1C(=O)/C(=C/c1ccccc1F)O2 1871384189 LEOFWRFCCDEQFM-IWIPYMOSSA-N 439.442 5.760 30 10 IKEE C=CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2sccc2C)C3=O)c1 1871389855 RERDETWRPFZMQF-STZFKDTASA-N 432.497 5.765 30 10 IKEE Cc1c(OCC(=O)Nc2ccccc2C(C)C)ccc2c1O/C(=C\c1ccccc1F)C2=O 1871456282 WTBQFKSIWODSCJ-OYKKKHCWSA-N 445.490 5.891 30 10 IKEE C=CCN([C@H](CC(C)C)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872224662 CQFNSJCHMKAUJJ-JOCHJYFZSA-N 449.016 5.187 30 10 IKEE C=CCN([C@H](CC)C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)S(=O)(=O)c1ccccc1 1872327565 PGCSZJPJWGGUCW-XMMPIXPASA-N 442.625 5.527 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 1872412215 GGXAWDKAFYOGPJ-QFIPXVFZSA-N 449.016 5.413 30 10 IKEE CC(C)Oc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 1872760677 VFYGQMLFAKJNOQ-HSZRJFAPSA-N 430.573 5.895 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@@H](C#N)C(=O)/C=C/c2cccc([N+](=O)[O-])c2)n1 1872781900 ZWBFHOJATXMOLW-UCFODXPJSA-N 433.489 5.233 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(C(C)C)c(C)c2)=C(c2ccccc2Br)C1=O 1873253908 SVOJAAQSAXICKH-UHFFFAOYSA-N 439.353 5.259 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2OCCC)=C(c2ccccc2C)C1=O 1873305480 HCMSNVMGBHOIQC-UHFFFAOYSA-N 448.607 6.336 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)cc2F)=C(c2ccccc2C)C1=O 1873305528 JKARDTSFYQDSEH-UHFFFAOYSA-N 426.507 5.826 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(OC(C)C)c2)=C(c2ccccc2)C1=O 1873413500 GELCYUXCGUKZTE-UHFFFAOYSA-N 434.580 6.026 30 10 IKEE C=CCSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1ccccc1F 1874198415 ADUYGNRCJJCOEJ-OVVQPSECSA-N 446.551 5.742 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCC)n1/N=C/c1c(F)cccc1Cl 1874226783 CFUQEWCOZXINMS-ZMOGYAJESA-N 446.935 5.209 30 10 IKEE CCOc1ccc(OCc2nnc(SCc3ccc(C)cc3)n2/N=C/c2ccco2)cc1 1874234467 JOYIMKFUYCUETO-MFKUBSTISA-N 448.548 5.332 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CCc3ccccc3Cl)nnc2SCC)cc1 1874276354 IDVQSUVYKFOELA-KOEQRZSOSA-N 443.016 5.890 30 10 IKEE CCCOC(=O)CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1cccc(Cl)c1 1874397792 KIZPLZLXIPJDSB-GCMSVZMUSA-N 442.972 5.011 30 10 IKEE Fc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 1874398498 JRVIIMPLIDUDJX-JVWAILMASA-N 434.515 5.516 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@@H](C)c3ccccc3)n2/N=C/c2ccncc2)c1 1874398580 BHLPWZSXWCWCQU-BJRSOBTISA-N 427.577 5.616 30 10 IKEE CCc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2cc(C)ccc2C)cc1 1874408430 WQJHJLUKLUYGLD-MTDXEUNCSA-N 446.664 6.755 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2-c2cccs2)cc1 1874423862 JDUZTRMJDXSSDE-YDZHTSKRSA-N 440.981 5.843 30 10 IKEE Cc1ccc(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2cn(C)c3ccccc23)cc1 1874442185 VQTHPZFQFXABKW-PWYGXMRTSA-N 431.565 5.104 30 10 IKEE COc1cccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C(F)(F)F)c1 1874463000 OQOWBAUIUGRACJ-AUEPDCJTSA-N 426.851 5.133 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2ccccc2Cl)nnc1C(C)C 1874513529 CIBCUGBDTXYFJP-ZVHZXABRSA-N 426.973 5.794 30 10 IKEE COc1ccc(OC)c(/C=N/n2c(C)nnc2SCc2ccc(Cl)c(Cl)c2)c1 1874535862 ZWVDDVCBCQVGNM-LSHDLFTRSA-N 437.352 5.085 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/n2c(S)nnc2C(C)(C)C)cc1Cl 1874559189 CDECWVYZISXKEJ-LFVJCYFKSA-N 437.053 6.529 30 10 IKEE CCCOC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(OC)c(C)c1C 1874586441 NNQWSJDTFQKFAU-ACCUITESSA-N 432.516 5.693 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)c1OCc1cccc(C)c1 1874592321 JOHFNEJKDBWCJI-WYMLVPIESA-N 448.515 5.505 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3c(F)cccc3Cl)c2)cc1C 1874593480 LXZRADMZIFUJRY-JXMROGBWSA-N 440.898 6.280 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1OCc1ccc([N+](=O)[O-])cc1 1874598434 LWGTWSZPVQVFDB-KPKJPENVSA-N 447.487 5.704 30 10 IKEE O=C(Oc1cccc(/C=C/C(=O)c2ccc(F)cc2F)c1)c1ccc(-n2cccc2)cc1 1874699841 PKIIAZSRUCWJAE-AWNIVKPZSA-N 429.422 5.871 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(F)c(C)c3)c2)cc1 1874702064 QXEWZYQCOOYLKC-RIYZIHGNSA-N 432.491 5.967 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OC(=O)c1ccc(OC(C)=O)cc1 1874703723 DRSCPDXVPRFREZ-UUILKARUSA-N 448.446 5.183 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cccc(OC(=O)CCOc2ccccc2)c1 1874713282 OTSQRLHHQRAKCZ-OUKQBFOZSA-N 430.500 5.583 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3cc(Cl)ccc3OC)c2)cc1 1874718590 QNKQOCMLUGWZFP-XYOKQWHBSA-N 436.891 5.401 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(OC)c3)cc2)c1 1875098932 OBSFNACBLNWCJL-NTEUORMPSA-N 446.499 5.147 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc(OC)c1OC(=O)C1CCC1 1875103814 QLYOEBQQWVVWMU-ZRDIBKRKSA-N 436.504 5.043 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC(=O)CC1CCCCC1 1875122137 SNMBAXZIUYXVNI-ACCUITESSA-N 426.940 6.511 30 10 IKEE Cc1ccc(C)c(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2Cl)c1C 1875128068 LQZYTHCCSRGLCY-ACCUITESSA-N 434.919 6.146 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)c(F)c3F)c([N+](=O)[O-])c2)cc1 1875135765 HAPPVZANWAOGNS-ONNFQVAWSA-N 441.361 5.436 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)c1cccc(F)c1 1875155741 RQWVZNWUBIRXGE-MDWZMJQESA-N 448.490 6.082 30 10 IKEE CCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc1Br 1875160992 SZKLKJZDWANBOG-JXMROGBWSA-N 445.353 5.967 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc(Cl)c1OC(=O)C1CCC1 1875193676 VILSXBRPUFBRIB-VQHVLOKHSA-N 449.330 6.002 30 10 IKEE C=CCn1c(C(=O)N(C)Cc2ccccc2)cc2c(NCCC3=CCCCC3)ncnc21 1875231362 KJWIZIQHFYKPIW-UHFFFAOYSA-N 429.568 5.192 30 10 IKEE CC[C@@H]1CC[C@](C#N)([C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1 1875690005 OPOAPKQUMPFCCP-YDTRGFDASA-N 441.571 6.598 30 10 IKEE CC(C)(C)OC(=O)NC1([C@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)CCCC1 1889836181 QQOCPGVMHRXTJS-IBGZPJMESA-N 429.561 5.153 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1 1922068571 JLCFEFOKLKILJZ-RPBOFIJWSA-N 438.612 5.436 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C)NCCC 1922095428 UKKSMHCERAOUGL-SGNDLWITSA-N 430.633 5.601 30 10 IKEE CC(C)(C)OC(=O)N(C1CC1)[C@H](C#N)c1cc(Br)ccc1Br 1927789648 GMKRVRFIJGKALZ-CQSZACIVSA-N 430.140 5.176 30 10 IKEE CCCCCCCCC[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1951514935 UJCLDNUXXRNLOC-HXUWFJFHSA-N 437.580 6.367 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@]2(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1953300258 XXFVVEBFILEUGR-TXNPELCJSA-N 441.572 5.009 30 10 IKEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)C1=CC[C@H](C(C)(C)C)CC1 2010741439 APZNKOZMWFRKQB-VXKWHMMOSA-N 428.617 5.353 30 10 IKEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2032562526 VHCGXRNYXCAYFA-OSPHWJPCSA-N 447.551 5.497 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@@]1(C#N)CN(Cc2ccccc2)C2(CCC2)C1 2037913898 GPUQKKRNGDCWNH-SANMLTNESA-N 435.543 5.658 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CN(Cc2ccccc2)C2(CCC2)C1 2037915005 RDBAPIRIRZVFKY-HHHXNRCGSA-N 431.580 5.828 30 10 IKEE C=CCn1c2ccccc2n2nc(C)c(C(=O)C=Cc3cccc(OCC)c3OCCC)c12 2040487690 FVQFRCHFCGKOII-UHFFFAOYSA-N 443.547 5.867 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@H](CNC(=O)OC(C)(C)C)C2(C)C)c1 2053048086 KMYNGJVIDBVBMF-CJAUYULYSA-N 443.588 5.570 30 10 IKEE Cc1ccc([C@@H](C2CC2)n2nc(C(C)(C)C)c(C#N)c2I)c(F)c1 2079100260 MTSDUJQLSLVPGR-MRXNPFEDSA-N 437.300 5.104 30 10 IKEE CCOc1ccc([C@H](C2CCC2)n2nc(C(C)(C)C)c(C=NO)c2Br)cc1 2080107670 QQHXPEYLRJUBMH-SFHVURJKSA-N 434.378 5.539 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(Cc2ccccc2)CC12CCC2 2098712158 MOPCTGVGKTTWJK-NDEPHWFRSA-N 445.607 6.075 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCC2(CCNCC2)C1 2155268933 GOSRFYASVQFYNV-OAQYLSRUSA-N 434.378 5.007 30 10 IKEE Cc1ccc(CN(C)[C@H]2CC(C)(C)[C@H]2OCc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2156384142 XBFCFDWFKPBXIP-DQEYMECFSA-N 449.444 5.110 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1ncoc1C(C)(C)C 2178417386 IHQZCCUFACTFDH-HNNXBMFYSA-N 434.334 5.741 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1ncoc1C(C)(C)C 2178417388 IHQZCCUFACTFDH-OAHLLOKOSA-N 434.334 5.741 30 10 IKEE CN(Cc1ccc(Br)cc1C#N)[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 2190469123 OMOWECNKBOBSSJ-OUFMZXHOSA-N 425.370 5.136 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1sc(C)c(Br)c1C 2218930725 GHPRZLSCEDWQNN-GDBMZVCRSA-N 431.440 5.638 30 10 IKEE Cc1sc([C@@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)c(C)c1Br 2219357459 PTKZYAHDZSJCSP-CQSZACIVSA-N 441.416 6.191 30 10 IKEE COc1ccc(F)c([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)c1 2235967428 GKBNAUQZPALQFL-SFHVURJKSA-N 435.293 5.603 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCC(=O)O)c1sc(Cl)cc1Br 2252122589 LHNDPQUDVBRUHC-MRXNPFEDSA-N 431.735 5.079 30 10 IKEE C=CCC1(COc2nc(C)ccc2Br)CCN(C(=O)OC(C)(C)C)CC1 2272151221 ULTSUMNBUPYBHL-UHFFFAOYSA-N 425.367 5.125 30 10 IKEE N[C@H](C#Cc1cccc(Br)c1)c1cc(Br)ccc1Br 2278787834 DQKSWBHTEOFTPG-OAHLLOKOSA-N 443.964 5.026 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)CC(C)(C)CNC(=O)OC(C)(C)C 2296304273 FIBXCMLDGGRMPK-IBGZPJMESA-N 437.422 5.110 30 10 IKEE C=CC[C@H](C)[C@H](NCC)c1sc(Br)c(Br)c1Br 2304046784 VJKPYGAFDTXTKJ-XVKPBYJWSA-N 446.046 5.898 30 10 IKEE O=C(C=Cc1ccccc1F)c1ccc(OC(=O)N(c2ccccc2)c2ccccc2)cc1 2314429388 GGINCLUOZXRIDO-UHFFFAOYSA-N 437.470 7.059 30 10 IKEE O=C1NC(=Nc2ccc(O)cc2)C(=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)S1 2314480906 UXGQQFQZGRZXHF-UHFFFAOYSA-N 431.300 6.487 30 10 IKEE COC(=O)c1ccccc1N=C1NC(=O)C(=Cc2ccc(-c3cccc(Cl)c3)o2)S1 2314557416 DQTKWENFIDLFLL-UHFFFAOYSA-N 438.892 5.278 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(OCCCC)c(OC)c2)SC1=Nc1cccc(O)c1 2314927462 FWYYQEXNLZYQAS-UHFFFAOYSA-N 438.549 5.370 30 10 IKEE COc1c(Br)cc(C=NNc2nc3ccccc3s2)cc1Br 2318414922 IQJCNUHBHYBPBJ-UHFFFAOYSA-N 441.148 5.276 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(SCc2ccccc2Cl)nnc1C1CC1 2320858459 OGMYTYOOXVPPDQ-UHFFFAOYSA-N 448.979 6.145 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CC2)cc1 2320880724 KIRUAJJQNNKFSL-UHFFFAOYSA-N 425.001 6.281 30 10 IKEE CCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(-c2ccc(C(C)=O)cc2)o1 2321762249 BPAYNINQOZJVKF-UHFFFAOYSA-N 448.523 5.617 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OCc4c(Cl)cccc4Cl)c3C)C2=O)c1 2321774166 SDDFSWQEUIJIBD-UHFFFAOYSA-N 441.310 6.506 30 10 IKEE Cc1ccc(COc2cccc(C=Nn3c(S)nnc3CCc3ccccc3)c2)cc1 2321958810 UIRFQLYOGNOICU-UHFFFAOYSA-N 428.561 5.122 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc(C(C)(C)C)cc4)c3C)C2=O)cc1 2322737734 BYJNNGDCQQSKRB-UHFFFAOYSA-N 440.539 6.690 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(ccc(OC(=O)Cc4cccs4)c3C)C2=O)cc1 2322868680 XBHZABISACMRLR-UHFFFAOYSA-N 447.556 5.667 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)c(Br)c1OCCCO 2323259250 BEUUMPRPBCPIIH-UHFFFAOYSA-N 447.369 5.349 30 10 IKEE CCCCC1CCC(C(=O)Oc2cc(C)c3c(c2)OC(=CC=Cc2ccccc2)C3=O)CC1 2323653255 XPMICCLXWIDDLX-UHFFFAOYSA-N 444.571 7.069 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(Cl)c2)cc1 2323900640 RZRYTPSEPFZASH-UHFFFAOYSA-N 433.935 6.179 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OCCc3ccccc3)c([N+](=O)[O-])c2)c1 2324022794 NUSVEXCCTJAVMW-UHFFFAOYSA-N 433.460 5.130 30 10 IKEE CCCCN(CC)Cc1c(O)ccc2c1OC(=Cc1cccc(Br)c1)C2=O 2324120655 LHUNHDVIAQMRCS-UHFFFAOYSA-N 430.342 5.393 30 10 IKEE CCc1cccc(CC)c1NC(=O)[C@H](C)Oc1ccc2c(c1C)OC(=Cc1ccco1)C2=O 2324381325 YQAVIKDAYPSVJL-KRWDZBQOSA-N 445.515 5.735 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)c(C)c1 2324494185 ZKJJWZOYHRGTKU-QGZVFWFLSA-N 447.918 5.979 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)ccc1OCc1ccccc1F 2324522047 JUOPXPOAFWQPQY-UHFFFAOYSA-N 440.898 6.280 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc4c(c3)OCCO4)n2)c1C 2324719019 KDQAAXFSRVFGLP-FQEVSTJZSA-N 444.556 5.705 30 10 IKEE Cc1cc(OCC(=O)Nc2c(Cl)cccc2Cl)cc2c1C(=O)C(=Cc1ccco1)O2 2325129448 FJCJSKHBVMNRPN-UHFFFAOYSA-N 444.270 5.529 30 10 IKEE Cc1cc(OCc2nc(O)c3ccccc3n2)cc2c1C(=O)C(=CC=Cc1ccccc1)O2 2325205935 UABLKRVLGJCMLP-UHFFFAOYSA-N 436.467 5.395 30 10 IKEE CCCOc1cccc(C=Nn2c(CCC)nnc2SCc2cccc(Cl)c2)c1 2325571516 NFPOWVDXYPEVJB-UHFFFAOYSA-N 428.989 5.847 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(Br)cc3)c2)cc1 2325705957 CVNYCYRNPUBCRY-UHFFFAOYSA-N 435.317 6.127 30 10 IKEE CSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccc(C(F)(F)F)cc1 2326489368 ANZAAVLRYGSLNT-UHFFFAOYSA-N 440.878 5.442 30 10 IKEE CCCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1ccc(OCC)cc1 2327023137 VEQPVNGHSHSATA-UHFFFAOYSA-N 438.597 5.381 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccc(C)cc3)n2N=Cc2ccco2)CC1 2328106837 POBCSOJZWOCUIX-UHFFFAOYSA-N 436.625 6.818 30 10 IKEE O=[N+]([O-])c1ccccc1Cc1nnc(SCc2ccccc2)n1N=Cc1ccc(F)cc1 2328486103 DTLAMWNBNRSXFQ-UHFFFAOYSA-N 447.495 5.091 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(OC)cc2)n1N=Cc1cn(C)c2ccccc12 2328576830 UQHZDTFNNIGHGU-UHFFFAOYSA-N 445.592 5.114 30 10 IKEE C=CCSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1ccc(Cl)cc1Cl 2328798683 NWKZPJKHJVJPBN-UHFFFAOYSA-N 447.391 5.941 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccc(C)cc3C)n2N=Cc2ccco2)c1 2328883695 AKWMZMVABBEBNH-UHFFFAOYSA-N 432.549 5.550 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1cccc([N+](=O)[O-])c1 2328945511 YKGVSBFCMSOIAW-UHFFFAOYSA-N 435.553 5.139 30 10 IKEE Cc1cccc(C=Nn2c(Cc3ccccc3F)nnc2SCc2ccccc2C)c1 2329717765 RAWUJYPXRCAKMZ-UHFFFAOYSA-N 430.552 5.799 30 10 IKEE CCc1ccc(C=Nn2c(Cc3cccs3)nnc2SCc2cc(C)ccc2C)cc1 2330393401 AKNHVSWZPPJWHE-UHFFFAOYSA-N 446.645 6.284 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(-c3cccs3)n2N=Cc2ccc(F)cc2)cc1 2330556853 RXKROVDQNJSPHP-UHFFFAOYSA-N 439.497 5.228 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-])c1ccco1 2330810421 MHNIKSISKXMHTO-UHFFFAOYSA-N 432.215 5.610 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(CC(C)(C)C)n2N=Cc2cccc(C)c2)cc1 2330823982 AWDWAUMAPOXRLC-UHFFFAOYSA-N 435.597 5.097 30 10 IKEE Cc1ccccc1C=Nn1c(CC(C)(C)C)nnc1SCc1ccc(Cl)c(Cl)c1 2330874361 BABPIJJEYNWEDZ-UHFFFAOYSA-N 447.435 6.656 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccccc3Cl)cc2Cl)cc1 2330920420 SOAWOEGLRAJEJL-UHFFFAOYSA-N 425.311 6.671 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)c1ccc(F)c(F)c1 2331077950 VVKBHEYCPHAWRT-UHFFFAOYSA-N 438.426 5.487 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc(C=CC(=O)c2ccccc2)cc1Br 2331167775 UCMOZEIFWREFJU-UHFFFAOYSA-N 439.280 5.632 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2cc(C)ccc2C)nnc1-c1ccco1 2331208449 NSLJLLKELLLOFQ-UHFFFAOYSA-N 446.576 6.118 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3F)c(Cl)c2)c(C)c1 2331224364 VVQWFWBHVLZZSK-UHFFFAOYSA-N 426.846 6.350 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)c1ccc(C)c([N+](=O)[O-])c1 2331236518 ATBYLLALWRVXMC-UHFFFAOYSA-N 445.471 5.644 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H](Cc3ccccc3)c3ccccc3)cc2)cc1 2331259254 HAWKYMYLZHSYIV-GDLZYMKVSA-N 446.546 6.823 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(OCC(C)C)cc3)c(Cl)c2)cc1 2331265952 IHJNWTIHYYHTMC-UHFFFAOYSA-N 448.946 6.799 30 10 IKEE COCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cccc2ccccc12 2331305097 OKYZWUISZKQMDQ-UHFFFAOYSA-N 436.968 5.448 30 10 IKEE COCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccccc1F 2331307060 BAHLFKCJGHCUBT-UHFFFAOYSA-N 439.343 5.087 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cc(Cl)c(OC(=O)C(C)(C)C)c(OC)c2)c1 2331377653 XZABPQWIKYDADF-UHFFFAOYSA-N 432.900 5.213 30 10 IKEE CCCOc1ccccc1C=Nn1c(CC(C)C)nnc1SCc1ccc(Cl)cc1 2331468437 LKCZAHXZSUVDHG-UHFFFAOYSA-N 443.016 6.093 30 10 IKEE CCCSc1nnc(C2CCC2)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2331533369 PHOOCKIMOJCUEI-UHFFFAOYSA-N 441.000 6.162 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)c(C)c1C 2331612155 KKHBLJJWNODRHE-UHFFFAOYSA-N 436.507 6.581 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3)cc2)c(OCC)c1 2331731196 LGMNIHXOGLZYJU-UHFFFAOYSA-N 434.463 5.738 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)c1cc(Cl)ccc1Cl 2331859806 LBNFWJPYIDETON-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2OC)ccc1OC(=O)c1cccc(C)c1 2331885104 RBFLKMGKOSPDLD-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE CCc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2[N+](=O)[O-])cc1 21221835 WKNXZADKFZZMJR-UZTOHYMASA-N 439.515 6.137 30 10 IKEE CSc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OCC(C)C)cc2)C3)cc1 21227977 GKLWBPZVBNOFTB-KNQAVFIVSA-N 435.589 5.448 30 10 IKEE CN(C)c1ccc(/C=C2/S/C(=N/c3ccccc3)N(CCc3ccccc3)C2=O)cc1 27534764 CUIUOADXVJYRCI-ZLFJWLGHSA-N 427.573 5.599 30 10 IKEE Cc1cc(C(F)(F)F)c(C#N)c(SCCCC(=O)Nc2nc3ccccc3s2)n1 27750758 MFJKRTOFSDBWHD-UHFFFAOYSA-N 436.484 5.401 30 10 IKEE COc1cccc(COc2ccc3c(c2)O/C(=C/c2ccc(-c4ccccc4)cc2)C3=O)c1 33514107 ORDDHOFYYWKOHC-OGLMXYFKSA-N 434.491 6.557 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCc4c(Cl)cccc4Cl)ccc3C2=O)c1 39754073 NIEIYSYYOMTZLO-JJFYIABZSA-N 427.283 6.197 30 10 IKEE C=CCc1ccccc1OCCn1c(COc2ccc3ccccc3c2)nc2ccccc21 40237846 JXUWICLRANYDRO-UHFFFAOYSA-N 434.539 6.576 30 10 IKEE CCCCCCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(C)c(F)c2)c1 98021498 OIGFNNCBOPHFKK-RUZDIDTESA-N 442.600 6.602 30 10 IKEE O=S(=O)(c1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1)N1CCCCCC1 100037143 ISMXCSLSRDBCGO-NHFJDJAPSA-N 448.588 5.581 30 10 IKEE CCCCCCCCOc1ccc(Br)cc1CN1CCN(CCC#N)CC1 100156557 HMFABPKHTYMSDH-UHFFFAOYSA-N 436.438 5.220 30 10 IKEE CCCCCCCOc1cccc(NC(=O)c2ccc(OCCOc3ccccc3)cc2)c1 100246323 AEOQGEBNNFSMOJ-UHFFFAOYSA-N 447.575 6.746 30 10 IKEE CCCCCCCOc1cccc(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)c1 100246727 HMCZPNFVNDRXGX-UHFFFAOYSA-N 428.598 5.950 30 10 IKEE C=CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1cc2cccc(OC)c2o1 101191450 SRHMHMHMSBVBRP-UHFFFAOYSA-N 439.924 5.514 30 10 IKEE N#Cc1sc(-c2cc(Br)c(Br)s2)c(-c2ccncc2)c1N 128582270 IHHJAQNQQQKBNH-UHFFFAOYSA-N 441.173 5.517 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccc(OCC)c(OC)c1 135880099 UVENMUJBGPUPEB-OYKKKHCWSA-N 444.988 5.466 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2cccc(C)c2)cc1 169923043 KVZHYGSSKVMFGU-SANMLTNESA-N 449.506 5.940 30 10 IKEE COc1cc(/C=N\Nc2nc(-c3cccs3)cs2)ccc1OCc1ccc(C)cc1 169941926 BVXJAEHJXFCUCQ-CFRMEGHHSA-N 435.574 6.214 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3c(C)cc(C)cc3C)cs2)cc(Cl)c1OC 169942666 PESFPFTWDMKHRV-MYKKPKGFSA-N 429.973 6.242 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccc(N(C)C)cc2)c1 169966882 FJNKOZJFPAAJRW-DEOSSOPVSA-N 444.506 5.291 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2cccc(C)c2)cc1 169969478 YXVKRXPUHBBCRM-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@@H]2c2cccnc2)c1 170009289 ZXBJMHKVRLRYIS-JOCHJYFZSA-N 448.906 5.225 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@H]2c2ccncc2)cc1C 170018212 CSGNFJDDCIRHEG-NRFANRHFSA-N 436.870 5.274 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2C2CCCCC2)c1 170039227 CXHNXMCTKRYVIO-XMMPIXPASA-N 433.548 5.613 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@@H]1c1ccc(C(C)C)cc1 170066251 OPOVNCIANUOAQE-VWLOTQADSA-N 435.564 5.132 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccco2)cc1 170096018 CMGKEEYOWCZWLY-DEOSSOPVSA-N 440.499 5.144 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2sccc2C)cc1 170105773 QLRIZGDNPVXNJD-NRFANRHFSA-N 433.529 5.410 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2cccs2)c1 170156325 ZEVWITSXWIZTEB-QHCPKHFHSA-N 445.540 5.473 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccs4)[C@H]3c3ccccc3)oc12 170221917 XHHQHZKSEBCCGG-NRFANRHFSA-N 445.496 5.281 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@H]1c1ccc(Cl)cc1 170236314 AZLNMQXBVUHFHU-LJQANCHMSA-N 434.319 5.380 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@@H]1c1ccc(Cl)cc1 170236563 PDKFBQMLAZAARZ-SFHVURJKSA-N 434.319 5.299 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccc2F)c1 170247777 NZJPNGZJXOVECU-HSZRJFAPSA-N 449.453 5.535 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)=C(O)C(=O)N1c1ccccc1C 170273248 JFORHTHJSLHTGN-CJAUYULYSA-N 439.511 5.410 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccco2)cc1C 170283096 QNNXMKPCUXDKNT-HSZRJFAPSA-N 431.488 5.468 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@@H]2c2ccco2)cc1 170287308 KZUSPLLCNVPZBI-XMMPIXPASA-N 439.467 5.614 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccc(C)o2)c1 170301934 UEWJTTMTVKRYOM-HSZRJFAPSA-N 426.472 5.469 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(OC)c(O)c1 170322505 JOLCJESZDMAZNK-DEOSSOPVSA-N 449.547 5.048 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccccc1 170379818 CSPOQGKHZJTWFA-HXUWFJFHSA-N 442.273 5.915 30 10 IKEE CC(=O)Nc1cccc(N2C(=O)C(O)=C(C(=O)C(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)c1 170470525 WWHBINDNMGYFPI-JOCHJYFZSA-N 434.536 5.068 30 10 IKEE N#Cc1cnn(-c2ccc3ccccc3n2)c1NC(=O)CCCOc1ccc2ccccc2c1 170536771 FTAQWOORXQFLGL-UHFFFAOYSA-N 447.498 5.243 30 10 IKEE CCCCCCCCc1ccc(-c2nc(O)c(CCCCCCCC(C)C)c(=O)[nH]2)cc1 205213294 ZPOKFUFUJMYYHP-UHFFFAOYSA-N 440.672 7.585 30 10 IKEE O=C(/C=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cccc(NC(=O)c2ccco2)c1 210049389 NMCWFBMGVGZEON-LUAWRHEFSA-N 428.400 5.596 30 10 IKEE CCOc1cccc(/C=C2/Oc3cc(OC)ccc3C2=O)c1OC(=O)/C=C/c1ccccc1 210088035 OUQJZPBTMLTEJH-UPKKXIRLSA-N 442.467 5.329 30 10 IKEE CCCCN1C(=O)/C(=C2\Sc3ccccc3N2CC)SC1=Nc1ccc(C)c(C)c1 254487210 UYKMZNFOAILKAG-CSFSZXLXSA-N 437.634 6.468 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Br)ccc1C)NCC 407593995 NFZGOQIZUXHCPJ-OALUTQOASA-N 425.411 5.138 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(C(C)C)cc2)c1 526518430 XXSLCVJGLYMBJX-SANMLTNESA-N 438.527 6.138 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2cccs2)[C@H]1c1cc(Cl)c(O)c(Cl)c1 526606883 PNJPUWZGZNCHHD-GOSISDBHSA-N 443.311 5.689 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1ccc(OC)c(OCC)c1 526808296 GFFGWJFFLZWYDT-XYGWBWBKSA-N 438.597 5.511 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1ccc(Cl)c(Cl)c1 526811331 HUFBNXMCQCWDAV-MXAYSNPKSA-N 447.435 6.719 30 10 IKEE FC(F)(F)Sc1cc(C(F)(F)F)c(C(F)(F)F)cc1I 575340623 RNMASCRQOXMZDT-UHFFFAOYSA-N 440.068 5.941 30 10 IKEE Cc1ccc(CSc2nc3ccc(N=Cc4ccc(O)c([N+](=O)[O-])c4)cc3s2)c(C)c1 1084053368 ZGUIOGXKHBKOMN-UHFFFAOYSA-N 449.557 6.570 30 10 IKEE Brc1ccc(C=Nc2ccccc2N=Cc2ccc(Br)cc2)cc1 1084135672 UPOFKLGWZOITCC-UHFFFAOYSA-N 442.154 6.713 30 10 IKEE Cc1nn(-c2ccccc2)c2c1C(=NOC(=O)[C@@]13CC[C@@](C)(C(=O)C1)C3(C)C)CC(C)(C)C2 1772728277 CMOWXOUPDNJGPV-RRPNLBNLSA-N 447.579 5.186 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(C)cc2)SC1=Nc1ccccn1 1772731401 MCEKNNLWAKZNKN-JCZIGYIGSA-N 441.556 5.759 30 10 IKEE N#Cc1ccc(COc2cccnc2NC(=O)Nc2ccc(Nc3ccccc3)cc2)cc1 1858866895 ZDDLDWJJMNRIGW-UHFFFAOYSA-N 435.487 5.920 30 10 IKEE CCOC(=O)c1sc(NC(=O)c2cnc(-c3ccc(CC)cc3)s2)c(C#N)c1C 1859736121 LDPYHACNUIVLBP-UHFFFAOYSA-N 425.535 5.043 30 10 IKEE Cc1cccc(NC(=O)[C@H](C)Sc2nc(O)c(C#N)c(-c3ccccc3Cl)n2)c1C 1860827639 WZCPXXFEOMYXCG-AWEZNQCLSA-N 438.940 5.110 30 10 IKEE N#Cc1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2c(Cl)ccc(Cl)c2Cl)C1 1860884818 JVLHMHOYEWHVDI-ZDUSSCGKSA-N 436.726 5.009 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2c(Cl)cccc2Cl)cc1 1862394344 LMFUBEUMSBKOFF-NRFANRHFSA-N 446.374 6.324 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cc(Cl)cc(Cl)c1 1862451672 LFFZZGQMOAZRBL-ADLMAVQZSA-N 438.738 6.024 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(C(C)(C)C)cc1 1862461944 QYCREBYMLZHCGM-FQEVSTJZSA-N 429.438 5.166 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 1862479656 MTACKQLUWVIKKE-HSZRJFAPSA-N 435.564 5.297 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2cccc(F)c2)cc1 1862501553 FOCOMCNNYNIJOY-QHCPKHFHSA-N 449.453 5.060 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccc(F)cc2)ccc1F 1862502391 YJLJNSXGRYHUQI-QHCPKHFHSA-N 439.502 5.964 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2C(C)C)cc1 1862509299 DJJSKBWSZQFQIP-QFIPXVFZSA-N 425.500 5.300 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862581386 GXUUSDABLAUGJQ-RBZFPXEDSA-N 432.347 5.933 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 1862623155 RMDQSUCIWPBPPT-HXUWFJFHSA-N 444.358 6.055 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1cccc(OCC)c1 1862640236 MGGLSNPHSZGJBU-JOCHJYFZSA-N 441.499 5.002 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1 1862718257 WWKWPTWOEPMXKB-QHCPKHFHSA-N 442.471 5.269 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CC)cc1 1862722383 ZAURAXLEGDVHGZ-XMMPIXPASA-N 429.516 5.617 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccccc3C(C)(C)C)C2=O)c1 1863035483 PQYZYNVJSBKJLN-UHFFFAOYSA-N 449.554 5.869 30 10 IKEE Cc1cc(C)cc(NC2=C(c3ccccc3Cl)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1863076361 KDSBUOGXKOPLCQ-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE Cc1ccc(NC2=C(c3ccc(F)c(C)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)c(C)c1 1863093242 LCJNKIKJSGXONQ-UHFFFAOYSA-N 425.463 5.019 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(OC)cc2)C(=O)N(Cc2cccnc2)C1=O 1863665791 UGOMAHSIFLYGEY-UHFFFAOYSA-N 449.595 5.101 30 10 IKEE Cc1ccc([C@H](C#N)NC(=O)[C@H](NC(=O)c2cccc3ccccc23)c2ccccc2)cc1 1867664192 IHTLXGUGOMTLTC-IZZNHLLZSA-N 433.511 5.000 30 10 IKEE C[C@@H]1CN(c2cc(Nc3cccc(C#N)c3)nc(-c3ccccc3Cl)n2)C(C)(C)CO1 1868403352 AXFDJMUJBXFWNB-MRXNPFEDSA-N 433.943 5.416 30 10 IKEE COc1cc2c(cc1OC)[C@@H](C(C)C)N(c1cc(Nc3ccc(C#N)cc3)nc(C)n1)CC2 1868496936 PHXVLBJGBYOMOY-AREMUKBSSA-N 443.551 5.177 30 10 IKEE CC(C)(C)c1ccc(-n2nnc(C#N)c2NC(=O)c2cccc(Oc3ccccc3)c2)cc1 1870153520 XOZDMINMASRYST-UHFFFAOYSA-N 437.503 5.481 30 10 IKEE C=CCOc1cn(CCc2ccc(F)cc2)c(CSCc2nc3ccccc3[nH]2)cc1=O 1870244150 BYFVYQUWTZKTSJ-UHFFFAOYSA-N 449.551 5.105 30 10 IKEE CCCCCCCOc1cn(CCCOCCCC)c(CN2C[C@@H](C)C[C@H](C)C2)cc1=O 1870409228 MDJKVBAGMPEFQE-ZEQRLZLVSA-N 448.692 5.882 30 10 IKEE C=CCn1cc(OCc2ccc(OC)c(F)c2)c(=O)cc1CNc1ccc(Cl)c(C)c1 1870806481 LOVQDSXXINGKAF-UHFFFAOYSA-N 442.918 5.335 30 10 IKEE C=CCOc1cn(Cc2ccccc2F)c(CNc2cc(C(C)C)cc(C(C)C)c2)cc1=O 1870813640 VBRVBHHDVIMAMB-UHFFFAOYSA-N 448.582 6.459 30 10 IKEE C=CCn1cc(OCc2ccccc2)c(=O)cc1CNc1cc(C(C)C)cc(C(C)C)c1 1870894626 KSAWHHSIZLXSRE-UHFFFAOYSA-N 430.592 6.472 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3cccc(Cl)c3)CO4)C2=O)cc1 1871348067 OUAKFAZMXZVTJN-CFRMEGHHSA-N 447.918 5.707 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(N(C)C)cc1)C3=O)CN(CCc1ccccc1)CO2 1871348734 LBOJLHDDOKXBMX-MYYYXRDXSA-N 440.543 5.072 30 10 IKEE COC(=O)c1ccc(/C=C2\Oc3c(cc4c(c3C)OCN([C@@H]3CCCC[C@H]3C)C4)C2=O)cc1 1871356126 WOXGDILIJKVGJU-CVGUWTOSSA-N 447.531 5.128 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OC(=O)c4cccc(Oc5ccccc5)c4)ccc3C2=O)c1 1871379238 MUESSMUMEXKCAQ-YUMHPJSZSA-N 448.474 6.623 30 10 IKEE Cc1c(OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)ccc2c1O/C(=C\c1ccccc1F)C2=O 1871382418 UFDXTLFHLIQSFD-TXTIWSOFSA-N 445.402 5.277 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O 1871382725 BZKPAOJYHABERU-MFOYZWKCSA-N 431.227 5.430 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)Oc1ccc2c(c1C)O/C(=C\c1ccco1)C2=O 1871383599 UVWGULRGWLBOCC-YVLHZVERSA-N 445.254 5.739 30 10 IKEE CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1C)C2=O 1871403574 ZSQLIVKYGCOSQZ-SDPDQUOZSA-N 443.499 5.416 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccc(C)cc4)cc(C)c3C2=O)cc1 1871408316 ROFZBSPDAKAZBU-QHSFOXILSA-N 427.500 5.634 30 10 IKEE Cc1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)c1C 1871414659 VTGHNNSHARYNRL-GHRPQRKGSA-N 431.463 5.465 30 10 IKEE CCCC[C@H](Oc1ccc2c(c1C)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O)C(=O)O 1871423073 MDSSKFPZNCPTLA-FUDBJYBQSA-N 435.303 5.940 30 10 IKEE COc1ccc(Cl)cc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccccc1)C2=O 1871453457 YWXDOVMPSFUDEZ-UUYOSTAYSA-N 449.890 5.291 30 10 IKEE CCCCc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1 1871455717 XIPHGRUTSGUBHG-QQXSKIMKSA-N 441.527 5.971 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4cccc(C)c4C)c3C)C2=O)c1 1871459227 MFFOSUCRVFRTRZ-OYKKKHCWSA-N 427.500 5.554 30 10 IKEE Cc1nc2ccc(C(=O)[C@@H](C#N)c3nc(-c4cccc5ccccc45)cs3)cc2nc1C 1872775286 MWNNDCYEZYNOMX-OAQYLSRUSA-N 434.524 6.013 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)c3ccnc(Cl)c3)n2)cc1C(C)C 1872779555 MFXRVPZRQHVIGK-KRWDZBQOSA-N 425.941 5.789 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@H](C#N)C(=O)CCCOc3c(C)cccc3C)n2)c1C 1872780287 DZUSXQJIDGTBMM-JOCHJYFZSA-N 446.616 6.696 30 10 IKEE N#C[C@@H](C(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872788227 XLWMHLPTKROCGB-RRGWEWPQSA-N 444.299 5.915 30 10 IKEE NC1=C(c2nc(-c3ccccc3)c(-c3ccccc3)s2)C(=O)CN1c1ccc2cc[nH]c2c1 1872796210 PTNKMDADPKHXOD-UHFFFAOYSA-N 448.551 5.675 30 10 IKEE N#Cc1nc(-c2ccccc2)oc1N/N=C/c1ccccc1OCc1ccccc1Cl 1873470640 NVBAWLMVTAEUAX-JFLMPSFJSA-N 428.879 5.892 30 10 IKEE C=CCn1c(C(=O)NCCCCCCCCCC)cc2c(N3CCC[C@@H](C)C3)ncnc21 1873595287 WMLAOKOECSSSCD-OAQYLSRUSA-N 439.648 5.724 30 10 IKEE CCCCCCCCNC(=O)COc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1 1873891375 AKRSVQGZUNUNEG-UHFFFAOYSA-N 441.955 5.969 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccccc1OC 1874214466 NRRFPAXLPJDZSE-LFVJCYFKSA-N 444.988 5.336 30 10 IKEE C=CCSc1nnc(CCc2ccccc2C)n1/N=C/c1ccc(C(F)(F)F)cc1 1874362154 QILPCHLPANDBGC-CVKSISIWSA-N 430.499 5.551 30 10 IKEE CSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1ccc(OCc2ccc(C)cc2)cc1 1874386518 SXVZCNZORAXYDM-WPWMEQJKSA-N 442.588 5.669 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccccc2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874416577 XKBWQHHAHIRPIT-PCLIKHOPSA-N 443.532 5.260 30 10 IKEE Fc1cccc(CSc2nnc(-c3cccs3)n2/N=C/c2cccc(Cl)c2)c1 1874421223 ARXITRUWGPIQPE-FSJBWODESA-N 428.945 5.974 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2ccccc2C)nnc1-c1ccccc1 1874426022 NAAOOMCKJYFQNF-OVVQPSECSA-N 440.572 5.993 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2cccc(F)c2)cc1 1874454207 FZTCJXDHHFOQTI-YDZHTSKRSA-N 425.489 5.158 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C(F)(F)F)cc1 1874462265 PHAHJVMYMOZWSN-AUEPDCJTSA-N 426.851 5.133 30 10 IKEE COCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccccc1Cl 1874502779 ZHNKSWMWDXQPOL-LSFURLLWSA-N 441.771 5.559 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccc(F)cc1F 1874526307 WGIPKJUNYKWEGN-NUGSKGIGSA-N 427.307 5.600 30 10 IKEE CCCCCOc1ccc(/C=N/n2cnnc2SCc2ccccc2C)cc1OCC 1874534427 ICZIJOOEHASGLN-WGOQTCKBSA-N 438.597 5.729 30 10 IKEE O=C(/C=C/c1c(OCc2cccc3ccccc23)ccc2ccccc12)c1ccc(Cl)cc1 1874577317 INVFVTRTGCIKHZ-ISLYRVAYSA-N 448.949 8.122 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1OCc1cccc2ccccc12 1874593116 SLGOAEJHIWHBSI-GHRIWEEISA-N 444.530 7.477 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1 1874606470 PMCWJRYTIRIYET-GIJQJNRQSA-N 431.507 6.082 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OCC(=O)Nc1ccc(C)cc1 1874627776 VSODKUOEEDZBQU-VZUCSPMQSA-N 437.442 5.195 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)c(C)c1C 1874628079 KYWBSBBRTKBSPH-RVDMUPIBSA-N 443.543 5.842 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3)c(Cl)c2)c(OC)c1OC 1874639866 RTHNWXKJZIGEAM-FMIVXFBMSA-N 438.907 5.841 30 10 IKEE CN(C)c1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(-c4ccccc4)cc3)c2)cc1 1874692955 FXTHITXKQMEYGK-RGVLZGJSSA-N 447.534 6.535 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3ccc(C)cc3C)c2)cc1C 1874696397 VMINAFMHGVBOJM-PKNBQFBNSA-N 430.500 5.501 30 10 IKEE Cc1cc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccccc3Cl)c2)ccc1Cl 1874696642 JZKQBIPNXSUFBP-FMIVXFBMSA-N 441.310 6.182 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)c2cccc(F)c2)c1 1874712377 VSSSOTXQJAGHPM-CMDGGOBGSA-N 445.273 6.256 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccccc3Cl)c2)c(C)c1C 1874712563 ZAUMEJWQNSZHLK-ACCUITESSA-N 434.919 6.010 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccccc3F)c2)c(OCC)c1 1874714878 RWHSLUHGAZZWHU-NTCAYCPXSA-N 448.490 5.667 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(-c3ccccc3)cc2)CSc2nncn21 1874809856 SZWDEJGZOQFLHX-QHCPKHFHSA-N 434.609 6.007 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc(OC)c3)cc2[N+](=O)[O-])c1 1875101484 CLJMBWJCBYNLKO-ZRDIBKRKSA-N 447.443 5.117 30 10 IKEE C[C@@H](C(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1)c1ccccc1 1875104811 PDAQSMPOPZPFGH-SCZPIIQISA-N 425.311 6.599 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OC(=O)C1CCC1 1875104839 QQQULYGAKLESRM-RMKNXTFCSA-N 435.303 5.612 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(Br)c1OC(=O)C1CC1 1875114985 HDNOQBCXKPKYCN-NYYWCZLTSA-N 445.309 5.068 30 10 IKEE COc1cccc(C(=O)Oc2c(OC)cc(/C=C/C(=O)c3ccc(C)cc3)cc2OC)c1 1875133546 ZTEJPGXPWBZLGV-JLHYYAGUSA-N 432.472 5.136 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Br)c1OC(=O)C1CCC1 1875140726 URUGCRZMHSKYAJ-MDZDMXLPSA-N 443.337 5.676 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc4ccccc4n3C)cc2)cc1F 1875152523 OOAWEEYDGJPTHE-UKTHLTGXSA-N 429.447 5.441 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1cc(C)cc(C)c1 1875157439 YMTCLCYQFGYSGN-NTUHNPAUSA-N 442.555 6.941 30 10 IKEE O=C(CCCOc1ccc(Cl)cc1)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1 1875157721 LTBXCOICGFUTHE-FZSIALSZSA-N 438.882 6.140 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@]1(C#N)C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 1909322070 MRWVKHVRSCLJTD-SRYPRDQNSA-N 425.533 5.202 30 10 IKEE CCCN[C@@H](CC#CC1CCCCC1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 1915209547 LCSYMAGGWSTJIV-SANMLTNESA-N 440.672 6.546 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)[C@@H]2CCC[C@H]21 1926541053 FEOSGYPCLRAKGY-IECBHUPTSA-N 427.545 5.110 30 10 IKEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](N(OCc2ccccc2)C2CN(C(=O)OC(C)(C)C)C2)C1 2006996511 VQUMLUVVCNQTJC-NWSQWKLXSA-N 427.589 5.148 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@](C)(NC(=O)OC(C)(C)C)C1CCC1)NCCC 2013736597 YKZUDJPLXITQAU-BVAGGSTKSA-N 430.633 5.601 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1nc(Cl)cs1 2020250946 AHCCGQGEYRZEPI-LBPRGKRZSA-N 428.739 5.565 30 10 IKEE CC[C@@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)CN1C(=O)OC(C)(C)C 2040671310 OYAJLXGKXGMIFV-CLOONOSVSA-N 449.636 6.018 30 10 IKEE Cc1cc(O)c([C@@H](C2CCC2)n2nc(C(C)C)c(C#N)c2I)cc1C 2079945204 DBWMNDRXBWSQKT-LJQANCHMSA-N 449.336 5.195 30 10 IKEE Cc1cc(C)c([C@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C(C)(C)C)c(C)c1 2080053282 HHCJAWICLWJIGH-IBGZPJMESA-N 432.406 6.066 30 10 IKEE CC(=O)Oc1ccc([C@@H](n2nc(C(C)(C)C)c(C=NO)c2Br)C2(C)CC2)cc1 2080093463 CZNRGYDJOBDYOG-GOSISDBHSA-N 448.361 5.066 30 10 IKEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 2095905200 YAJCSGHZFWVKNS-UHFFFAOYSA-N 433.357 5.059 30 10 IKEE Cc1cc(Br)c(C(=O)Nc2ccc(C#N)cc2)cc1NC(=O)OC(C)(C)C 2181044984 DVAMVPGTQXZZTO-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE C[C@H](CC1CCN(c2ccc(Br)cc2C#N)CC1)N(C)C(=O)OC(C)(C)C 2203596386 UKHKPNWMWDUXDY-OAHLLOKOSA-N 436.394 5.183 30 10 IKEE C=CCOc1ccc(CNc2ccc(Br)cc2I)cc1 2240330303 ZZBREVGXAADRRK-UHFFFAOYSA-N 444.110 5.231 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](Nc2cc(Br)cc(C#N)c2)C[C@H]1C(F)(F)F 2279309764 AVACKMXHPHTYFX-ZFWWWQNUSA-N 448.283 5.063 30 10 IKEE COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@@H]3C=Cc2ccccc2)cc1 2294335076 LFSSYFWGTHSGLA-QFQXNSOFSA-N 447.538 6.126 30 10 IKEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)C)cc2)cc1 2296603211 COKJKTOCEYAQRT-QHCPKHFHSA-N 446.503 5.131 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(NC(=O)c3ccccc3Br)cc2)cc1 2297335241 WTLMGGXNHSLHJD-UHFFFAOYSA-N 436.305 5.606 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@@]1(C#N)C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 2310844217 LIQWKUZBJXOPJM-ASTYLPHCSA-N 436.527 5.845 30 10 IKEE C=CCOc1cccc(C=C2C(=O)N(c3ccc(Cl)c(Cl)c3)C(C)=C2C(=O)OC)c1 2313510750 MHJNUYSOGUKYMU-UHFFFAOYSA-N 444.314 5.435 30 10 IKEE CCc1ccc(N=C2SC(=CC=Cc3ccco3)C(=O)N2c2ccc(CC)cc2)cc1 2314600206 RJXXUGCFOVIERG-UHFFFAOYSA-N 428.557 6.769 30 10 IKEE C=C(C)CSc1nnc(C)n1N=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2321150270 VFCZTXQZZPQGFA-UHFFFAOYSA-N 447.391 6.023 30 10 IKEE Sc1nnc(Cc2cccs2)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2321884355 LBZPLAGQTBYFKY-UHFFFAOYSA-N 440.981 5.334 30 10 IKEE CC(C)Oc1ccc(C=C(C(=O)Nc2c(C#N)cnn2-c2ccccn2)c2ccccc2)cc1 2322259987 XJEKCEXDDCSHDZ-UHFFFAOYSA-N 449.514 5.105 30 10 IKEE CCc1ccc([C@H](C)N2COc3ccc4c(c3C2)OC(=Cc2cccc(Cl)c2)C4=O)cc1 2322260214 VWWNCISNAMMJSN-KRWDZBQOSA-N 445.946 6.432 30 10 IKEE COc1ccc(CCN2COc3c(cc4c(c3C)OC(=Cc3sccc3C)C4=O)C2)cc1 2322290755 APLLSLJWFDZAGY-UHFFFAOYSA-N 447.556 5.384 30 10 IKEE CCc1ccc(NC(=O)COc2c(C=CC(=O)c3cccc(OC)c3)cccc2OC)cc1 2322378777 BLGWOJZIEKZUJF-UHFFFAOYSA-N 445.515 5.180 30 10 IKEE Cc1cc(C)cc(OCCN2COc3c(cc4c(c3C)OC(=Cc3ccco3)C4=O)C2)c1 2322416375 ZNZPIJIUIZKQES-UHFFFAOYSA-N 431.488 5.052 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)c1OCc1ccc(C)cc1 2322474665 FQADZDZLTLRSAV-UHFFFAOYSA-N 437.879 6.040 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(Cl)cc2C=CC(=O)c2ccc(F)cc2F)cc1 2322502083 KJHTWXDRAWQMKT-UHFFFAOYSA-N 441.861 5.840 30 10 IKEE C=C(C)COc1c(C=CC(=O)c2ccc(OCC)cc2)cc(Br)cc1OC 2322565072 ATTHSLKWJKUQOV-UHFFFAOYSA-N 431.326 5.707 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2c(C)cccc2C)cc1 2322595978 GOUPYOFBUVRCAJ-UHFFFAOYSA-N 433.935 6.179 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccc(F)c(C)c1 2322630767 AQLJUSQSWNIZFH-UHFFFAOYSA-N 447.550 6.211 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCCc2ccccc2)c2ccccc12 2323019031 KREZIVMCPCIRFO-UHFFFAOYSA-N 442.942 7.019 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OC(=O)C=Cc4ccc(C)cc4)c3C)C2=O)cc1 2323060105 LLNFJEQHGZVECN-UHFFFAOYSA-N 426.468 5.547 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc(Cl)c1OCC(N)=O 2323352899 HGVGIFWWHGMLTG-UHFFFAOYSA-N 435.907 5.166 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1 2323511736 KLPZKYUSHOWOFC-UHFFFAOYSA-N 434.363 5.917 30 10 IKEE CCOc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2cccs2)C3=O)cc1OC 2323693400 NXVIJLLCGPSBBH-UHFFFAOYSA-N 448.496 5.390 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OCc1c(F)cccc1Cl 2323800640 GHUDKDCFYRMEQZ-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OCC(=O)Nc1cc(C)cc(C)c1 2323808670 JQQDWTGJIHVOCU-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc([N+](=O)[O-])c1OCc1ccc([N+](=O)[O-])cc1 2323813201 KOPAVLAUQJUREC-UHFFFAOYSA-N 448.431 5.377 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OCC 2323985048 MXVBHKJJUPSIIN-UHFFFAOYSA-N 441.543 5.456 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)c1 2324456046 OXXZWVLILGCERU-GOSISDBHSA-N 445.490 5.773 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccccc1)C2=O 2324514866 XZRYTDOVENKIHE-QGZVFWFLSA-N 447.918 5.979 30 10 IKEE COc1cc(C=CC(=O)[C@@H](C#N)c2nc(C(C)(C)C)cs2)cc(Br)c1OC 2324515886 XUIUQUAEKKENLX-CYBMUJFWSA-N 449.370 5.110 30 10 IKEE CCOc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(C)cc2)C3=O)cc1 2324521443 YWRAULOYZJTBIU-SFHVURJKSA-N 443.499 5.416 30 10 IKEE CC(C)OC(=O)c1ccc(COc2ccc3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1 2324603003 OVBQKQAXPYLKPX-UHFFFAOYSA-N 432.447 5.586 30 10 IKEE Cc1ccsc1C=C1Oc2cc(O[C@@H](C)C(=O)Nc3c(C)cccc3C)cc(C)c2C1=O 2325145656 VPJXXKXSACOTQU-SFHVURJKSA-N 447.556 6.004 30 10 IKEE COc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccc(C)cc2)cc1 2325437814 SHKJTMQMNOIWNN-UHFFFAOYSA-N 442.588 5.555 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(C(F)(F)F)cc1 2325514060 VPESPNCEOGDQEL-UHFFFAOYSA-N 436.478 5.953 30 10 IKEE Cc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(Br)cc1 2325642811 JQQKCXHMBWPIML-UHFFFAOYSA-N 439.741 5.316 30 10 IKEE Clc1ccc(C=Nn2cnnc2SCc2ccc(Cl)c(Cl)c2)c(Cl)c1 2325668749 JCTQHSSAEFFSSG-UHFFFAOYSA-N 432.163 6.066 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1OC(=O)c1ccc(F)cc1F 2325699643 LNPRXYWUBQYIMK-UHFFFAOYSA-N 444.433 6.242 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3c(C)ccc(C)c3C)c2)cc1F 2325748514 FRZHKEIPTTZJBY-UHFFFAOYSA-N 448.490 5.640 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)C3CC3)c2)cc1 2325751599 GQFMMTPLFDGSDT-UHFFFAOYSA-N 436.548 6.256 30 10 IKEE CCc1ccc(C(=O)Oc2cc(C=CC(=O)c3ccc(OC)c(C)c3C)ccc2OC)cc1 2325755350 HPXONBPEZHPVBV-UHFFFAOYSA-N 444.527 5.998 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OC(=O)[C@H](C)c1ccccc1 2325764398 ISGSJAALUGPYGA-OAQYLSRUSA-N 428.528 6.226 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)c2)c(C)c1 2325764928 ORPFETWSYVOKOG-RPWUZVMVSA-N 444.958 6.870 30 10 IKEE Clc1ccccc1OCc1nnc(SCCc2ccccc2)n1N=Cc1ccc[nH]1 2327656587 WOJHZISYMBVEJB-UHFFFAOYSA-N 437.956 5.056 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3Cl)n2N=Cc2ccncc2)cc1C 2329429758 FFQCTVPNNUSHDI-UHFFFAOYSA-N 447.995 5.709 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2N=Cc2ccc[nH]2)cc1C 2329454840 OCYSCFIGERBUIK-UHFFFAOYSA-N 435.984 5.642 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccc(F)cc2)n1N=Cc1cccn1C 2329473209 CMJHKIZIBYVTSW-UHFFFAOYSA-N 433.556 5.024 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3cccs3)n2N=Cc2cccs2)c1 2329663585 CQIHPPPQSRTQBY-UHFFFAOYSA-N 438.647 5.978 30 10 IKEE C=CCSc1nnc([C@H](C)c2ccccc2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2330119235 AUBWLSGEVHNRFQ-CQSZACIVSA-N 427.917 5.152 30 10 IKEE COC(=O)c1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2-c2ccccc2)cc1 2330640020 LETVOUFZNCMSBL-UHFFFAOYSA-N 446.507 5.045 30 10 IKEE Cc1ccsc1C=Nn1c(CC(C)(C)C)nnc1SCc1cccc2ccccc12 2330862995 BMEHEHCVFMRONG-UHFFFAOYSA-N 434.634 6.564 30 10 IKEE COc1ccccc1CC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccccc2)cc1OC 2331158166 BVQIUCVPFWYCBA-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)[C@H](C)c1ccccc1 2331231753 XLUMYSFLYTVQMX-OAQYLSRUSA-N 428.528 6.307 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)COc1ccc(C)c(C)c1 2331293270 QADRMRFLEZXLQV-UHFFFAOYSA-N 430.500 5.501 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3Cl)c([N+](=O)[O-])c2)ccc1F 2331339413 GAIJZYFEFXOQTH-UHFFFAOYSA-N 439.826 5.811 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1ccc(F)cc1F 2331345740 UNYAJUISFURJRD-UHFFFAOYSA-N 440.417 5.926 30 10 IKEE Cc1ccccc1NC(=O)CSc1nnc(C(C)(C)C)n1N=Cc1ccc(C(C)C)cc1 2331382575 ISQJKBAOIPWZGE-UHFFFAOYSA-N 449.624 5.620 30 10 IKEE C[C@@H](C(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1Cl)c1ccccc1 2331398870 UMZVWYWENVZYSX-QGZVFWFLSA-N 448.902 5.716 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1 2331411118 QFJGDHCKICLZSP-UHFFFAOYSA-N 444.527 6.117 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(SCC(=O)Nc3ccccc3)nnc2C2CCC2)cc1 2331485756 XJMMPVIDRGAMPC-UHFFFAOYSA-N 447.608 5.456 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C(C)C)c1 2331708187 NSFPCDUOVYNCFB-UHFFFAOYSA-N 428.989 6.018 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(F)c3)c(Cl)c2)c(OC)c1 2331721767 NBALACWZPBXZHZ-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2OC)cc(Cl)c1OC(=O)C(C)(C)C 2331726113 FJDVVMHTLWPEAN-UHFFFAOYSA-N 446.927 5.604 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3)cc2)cc1Cl 2331802649 REQXLGJYMADVNY-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1C 2331835570 RVPVVFMHZSZRHY-UHFFFAOYSA-N 442.555 6.725 30 10 IKEE C=CCc1ccccc1OCC(=O)Nc1sc2c(c1C(=O)OC)CC[C@H](C(C)(C)C)C2 2610024 XEIYXJQACKUINO-KRWDZBQOSA-N 441.593 5.432 30 10 IKEE Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc3ccccc3c2)cc1 21219906 DJQQAKIYSPZZMV-QABMSTFYSA-N 430.551 7.128 30 10 IKEE CCOc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(OCC(C)C)cc1)C2 21243649 VUGCEUOAVORCMM-SIKLNZKXSA-N 433.548 5.124 30 10 IKEE CC(C)Oc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2C(F)(F)F)cc1 21252853 WNZYHWOXGRSKDH-QFBILLFUSA-N 443.465 5.497 30 10 IKEE O=C1/C(=C/c2cccc(Cl)c2)Oc2cc(OCc3ccc(Br)cc3)ccc21 33365550 MZVQOWMAUUIQOY-NHDPSOOVSA-N 441.708 6.298 30 10 IKEE COc1cc(/C=C2\S/C(=N/c3cccc(C)c3)NC2=O)ccc1OCc1cccc(C)c1 34857106 FQCSLIXWCLOGMS-IWIPYMOSSA-N 444.556 5.783 30 10 IKEE C=CCc1ccccc1OCCCCn1c([C@@H](C)N2CCCCCC2)nc2ccccc21 39917264 QUTHVFFGDZWNBI-HSZRJFAPSA-N 431.624 6.561 30 10 IKEE C=CCc1ccccc1OCCCn1c([C@H](C)NC(=O)C2CCCCC2)nc2ccccc21 40188239 PFXPTLGOHBUSPQ-NRFANRHFSA-N 445.607 5.991 30 10 IKEE C=CCc1ccc(OCCCCn2c(CCc3ccccc3)nc3ccccc32)c(OC)c1 40238275 UUKAZJXVBRSJRK-UHFFFAOYSA-N 440.587 6.418 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc([N+](=O)[O-])cc1)C3=O)CN([C@@H](C)c1ccccc1)CO2 41588198 LCXUSBOJERAQKE-QWUOEIFBSA-N 442.471 5.433 30 10 IKEE COc1cc(OC)c(/C=N/c2ccc(Br)c(Cl)c2)cc1Br 59523159 BZAPYUXPJIOLFN-UFWORHAWSA-N 433.527 5.633 30 10 IKEE CCCCCCCOc1cccc(NC(=O)CNc2cccc(C(=O)NC(C)C)c2)c1 100099110 KCIVPZPUORSLPV-UHFFFAOYSA-N 425.573 5.225 30 10 IKEE CCCCCCCOc1cccc(NC(=O)c2ccc(OCCC)c(Br)c2)c1 100246408 JBLHHDQTWSOTFX-UHFFFAOYSA-N 448.401 6.839 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1ccc(Cl)cc1Cl 100443243 FRECYYDPNPIBKL-UHFFFAOYSA-N 431.473 7.508 30 10 IKEE CCCCCCCc1c(C)nn(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c1C 100458465 MLTCXZLNBZKANV-UHFFFAOYSA-N 431.580 6.262 30 10 IKEE CCCCCCCCCCCCn1c(CN(C)C(=O)c2ccccn2)nc2ccccc21 102111876 LOIFKMPEZLGSIG-UHFFFAOYSA-N 434.628 6.624 30 10 IKEE CC(=O)/C(=N/Nc1ccccc1C)Sc1nnc(-c2ccccc2)n1-c1ccccc1 102659834 VMOUKQMRCDQQTI-VYIQYICTSA-N 427.533 5.349 30 10 IKEE FC1=C(F)[C@@](F)(OCC(F)(F)C(F)F)[C@H](F)C(F)=C1OCC(F)(F)C(F)F 106122693 MNDBIOHPAGEXBD-INWYIAFRSA-N 430.160 5.170 30 10 IKEE CSc1nnc(Cc2ccccc2)n1/N=C\c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 169916058 JVRYRORKBVZPLO-QQXSKIMKSA-N 436.625 5.774 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2cccc(C)c2)cc1 169922810 SSCBYAAGIUERDF-XMMPIXPASA-N 427.500 5.403 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C)c2C)c1 169933980 ONMJTTHIHXYNQK-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE CCCCOc1c(OC)cc(/C=N\Nc2nc(-c3ccccc3)c(C)s2)cc1[N+](=O)[O-] 169941253 GCPUGAPHPSBFAX-UCQKPKSFSA-N 440.525 5.660 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccc(O)cc2)c1C 169960949 WUBNPKQVXPNJLX-AREMUKBSSA-N 449.506 5.945 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2cccc(C)c2)cc1 169969548 UTYBAAWQMPCOPK-AREMUKBSSA-N 441.527 5.496 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2C2CCCCC2)cc1 170031882 NHQLIGCFGKETBE-XMMPIXPASA-N 449.547 5.313 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccccc2C)c1 170037311 KJURIQNUTYRIRM-VWLOTQADSA-N 441.527 5.793 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(F)cc1 170064965 KOROEOUHZQQMTA-XMMPIXPASA-N 447.506 5.372 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)cc1 170065248 PAIRMIHZFFSMEP-HSZRJFAPSA-N 433.454 5.306 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccco2)cc1 170090581 HTGXSLWBEOOYOQ-QHCPKHFHSA-N 440.499 5.841 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(F)(F)F)cc3)[C@H]2c2ccco2)cc1 170095286 MPZYOPVBHQGDNC-FQEVSTJZSA-N 441.405 5.644 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2sccc2C)cc1C 170105402 OHFVBHXOIKFNPD-HXUWFJFHSA-N 439.483 5.734 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C2CCCCC2)cc1 170114761 BVPVAUPNGPABDH-VWLOTQADSA-N 441.527 5.759 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1cccc(OC(C)C)c1 170153251 MWSRCBVBXHDCQU-MZNJEOGPSA-N 449.547 5.176 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2cccs2)cc1 170157795 DJHWTYZDXDCYMD-QHCPKHFHSA-N 441.508 5.693 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)[C@@H]2c2cccnc2)c1 170185741 KAGOBZKJUMDBAA-QFIPXVFZSA-N 444.874 5.573 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cc(C)c(OC)cc3C)=C(O)C(=O)N2C2CCCC2)cc1 170214884 MFSAVMZAZWFZNP-DEOSSOPVSA-N 449.547 5.232 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@H]1c1ccc(Cl)cc1 170236588 BHIWKQYHZNLNEV-HXUWFJFHSA-N 448.346 5.771 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccccc1F)c1cccc(Cl)c1 170246867 FPGVTUNTFGWJRR-LJQANCHMSA-N 427.884 5.319 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1F)c1c[nH]c2ccccc12 170248065 PDDMTOLVJGKORY-JOCHJYFZSA-N 430.410 5.229 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccco2)cc1C(C)C 170282968 GWAUYSZSKUJJIS-QHCPKHFHSA-N 431.488 5.503 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2ccco2)ccc1F 170283996 PWZRADSDCRLYMV-FQEVSTJZSA-N 425.843 5.472 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccc(C)c(C)c2)o1 170301708 YVMJFFGOCJOLFE-HSZRJFAPSA-N 427.456 5.734 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@H]1c1ccc(C)o1 170301823 RUJXFVBQVSEFTE-QHCPKHFHSA-N 447.487 5.005 30 10 IKEE CCOc1cc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cc(Cl)ccc2C)ccc1O 170464393 UCFFFILOONFUJU-FQEVSTJZSA-N 443.927 5.268 30 10 IKEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)C(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 170471405 SRLGCTHGBTUZOA-HSZRJFAPSA-N 435.564 5.504 30 10 IKEE CCOc1cccc(/C=C2/SC(=Nc3cccc(C)c3)N(c3cccc(C)c3)C2=O)c1O 252624184 PINVISQOLIUBCR-GQUXDKRHSA-N 444.556 6.216 30 10 IKEE Cc1ccsc1[C@H]1C(c2ccc(OCC(C)C)cc2)=C(O)C(=O)N1c1ccc(C#N)cc1 526489630 WZHUKTLOBDEZIU-HSZRJFAPSA-N 444.556 6.020 30 10 IKEE CCOc1ccc([C@@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1Cl 526609223 SAZPVYFWTOWRTL-XMMPIXPASA-N 444.918 5.976 30 10 IKEE CCCOc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 526772111 CKFUXBBAFITNBI-HSZRJFAPSA-N 447.918 5.912 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1ccc(Cl)cc1Cl 526809491 MHCIRFLFWJZCMT-MXAYSNPKSA-N 447.435 6.719 30 10 IKEE Cc1ccc(C)c(CSc2nncn2/N=C\c2ccccc2OCc2ccccc2)c1 526818361 FUQLOKLFPVONTN-DICXZTSXSA-N 428.561 5.648 30 10 IKEE Cc1ccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2cccc(F)c2)cc1 526825211 AGOSIMPJIOJTSH-PKAZHMFMSA-N 430.552 5.685 30 10 IKEE C#CCN(C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586135482 ZITBISKFASBAIO-UHFFFAOYSA-N 430.356 5.407 30 10 IKEE Cc1ccc(S(=O)(=O)N(CCCC#N)c2ccc(OCc3ccccc3)cc2)cc1C 586211128 PKCZRYJHXPRUGU-UHFFFAOYSA-N 434.561 5.382 30 10 IKEE CCC[C@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Br)CC1 698459165 VMSOQIONRIAHAG-HTAPYJJXSA-N 435.406 6.833 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)Cc2ccc(Cl)cc2C1 698488031 IEYHLLCKWGDDCG-NRFANRHFSA-N 447.760 5.905 30 10 IKEE C[C@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)CN1C(=O)OC(C)(C)C 698831508 ZYLTYLDXHBGYRX-QMHKHESXSA-N 433.524 5.249 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@H](C)CN(C(=O)OC(C)(C)C)C2)cc1 698892343 NHPAMLABUWOMQH-UUOWRZLLSA-N 429.561 5.276 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@@H](C#N)c1ccc(Br)s1 698960133 WFVDUYWPWIQGLO-ZDUSSCGKSA-N 427.751 6.170 30 10 IKEE 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 700605735 ULYMDNKCDFNHNC-HOBQYKGVSA-N 433.593 5.094 30 10 IKEE C[C@@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)CN1C(=O)OC(C)(C)C 710727836 WIVNBCQFJIPFLH-KOSHJBKYSA-N 435.609 5.628 30 10 IKEE C=C1CCC(C[C@H](O)[C@@H](Cc2ccc(Br)cc2)NC(=O)OC(C)(C)C)CC1 724592393 MIEFVLOVFXDQMS-UXHICEINSA-N 438.406 5.382 30 10 IKEE C=CCNC(=S)/C(=C(/O)c1ccc2c(c1)Cc1ccccc1-2)[n+]1ccc(CCC)cc1 917607065 JCNBWIOOHNSJFQ-UHFFFAOYSA-O 427.593 5.485 30 10 IKEE CCC(=O)OCCCCSc1n[nH]c(NN=Cc2c3ccccc3cc3ccccc23)n1 1084214031 OMDOVSBWPKFLKT-UHFFFAOYSA-N 447.564 5.383 30 10 IKEE O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=Nc2nccs2)N1c1ccccc1 1772734124 MEKYHLAMMGQUCM-ONVPTEKUSA-N 432.357 6.259 30 10 IKEE CC(C)(C)c1ccc(C=NN=C2S/C(=C\c3cccs3)C(=O)N2Cc2ccco2)cc1 1772758306 QYIHQFXSMGJSFQ-FUUZEFQQSA-N 449.601 6.145 30 10 IKEE C/C(C=NN=C1S/C(=C\c2ccccc2)C(=O)N1Cc1ccco1)=C\c1ccccc1 1772759309 PNBVSPVBFBENEO-TXJAVNKSSA-N 427.529 5.841 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc3c(OC(=O)CCC(=O)c4ccccc4)cccc23)c1 1858930035 ORBQSCNLIAIHBI-UHFFFAOYSA-N 448.478 5.532 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 1859456342 OIUGOXXMZNJVAI-XMMPIXPASA-N 434.580 5.151 30 10 IKEE CC(C)(C)c1csc(NC(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1C#N 1860750259 NXCOFICWIHWKEM-UHFFFAOYSA-N 429.851 5.167 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC(C)C)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 1861132442 XGNJLGWOKSRTPZ-POICXBNUSA-N 445.604 5.396 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)c1ccc2nc(C(C)C)[nH]c2c1 1861440659 UKKOOTBUROHINF-QFIPXVFZSA-N 442.648 5.842 30 10 IKEE CCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)c1ccc2nc(C(C)(C)C)[nH]c2c1 1861449503 MJJROOHDICPTQP-RUZDIDTESA-N 428.621 5.236 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)Cc1ccc(OC)c(OC)c1 1861852779 XSIGALUWHHCAQW-QFIPXVFZSA-N 448.648 5.178 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1Cl)c1ccccc1Cl 1862432641 JMDFGJKLVUUPLO-OAQYLSRUSA-N 438.310 5.772 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1cccc(F)c1)c1c(F)cc(F)cc1F 1862457750 XASAZGPMRIEAAH-IBGZPJMESA-N 447.409 5.083 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc(C(C)C)cc2)cc1 1862476440 AAYDGAOKLCOTJL-CYSDGLOUSA-N 431.576 6.275 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1Cl 1862476610 MDZUAMIQGMJWCV-WMZHIEFXSA-N 439.983 6.586 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1c(Cl)cccc1Cl 1862509173 ZOTONKVIUUFSIF-HXPMCKFVSA-N 436.310 5.818 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2C2CCCC2)cc1OC 1862539342 WEDGVXRDGUKMNX-DEOSSOPVSA-N 449.547 5.177 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccccc2C)cc1OC 1862576661 YXVJIVSSQLSOIU-WSCWJOSJSA-N 449.547 5.169 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(N(C)C)cc1 1862679368 ZDCLKDHWQMHIMG-FQQGMQMYSA-N 436.527 5.049 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC)cc1OCC 1862684398 VXVUUQHELDNMNO-JOCHJYFZSA-N 441.499 5.002 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1cc(Cl)cc(Cl)c1)c1ccc2ccccc2c1 1862720706 CCHAMJRYMYYXME-NRFANRHFSA-N 438.310 5.887 30 10 IKEE N#Cc1ccc(NC2=C(c3ccccc3Cl)C(=O)N(c3ccc4ccccc4c3)C2=O)cc1 1863071978 PSEOQROXMYFAPB-UHFFFAOYSA-N 449.897 5.761 30 10 IKEE Cc1cc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1F 1863460715 ARQUBHPSPVDYJY-UHFFFAOYSA-N 445.881 5.051 30 10 IKEE CC(C)c1nc(Nc2cccc(C#N)c2)cc(N2CCC[C@H]2c2nc3ccccc3s2)n1 1868221466 NEBYRJUNDKWHEQ-FQEVSTJZSA-N 440.576 6.166 30 10 IKEE CCCCCCCOc1cn(Cc2ccncc2)c(CNc2ccc(OC)cc2C)cc1=O 1870836468 XTLXEPAOTUOUPP-UHFFFAOYSA-N 449.595 5.570 30 10 IKEE C#CCOc1cn(Cc2ccccc2)c(CNc2ccc(Cl)c(C(F)(F)F)c2)cc1=O 1871006829 YCXTWOARUCEWTK-UHFFFAOYSA-N 446.856 5.193 30 10 IKEE C=CCn1cc(OCc2ccc(C)cc2)c(=O)cc1CNc1ccc(C(F)(F)F)cc1 1871205122 CKIJXLVTWMKJIK-UHFFFAOYSA-N 428.454 5.553 30 10 IKEE CCOc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCc2ccccc2)C4)cc1 1871344273 BGYZWQNHOJPLHL-XYGWBWBKSA-N 441.527 5.405 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O)c1cc(Cl)ccc1Cl 1871381416 SWAIEUWIGSWNPD-UKWGHVSLSA-N 429.230 5.968 30 10 IKEE Cc1c(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc2c1O/C(=C\c1ccccc1)C2=O 1871384249 UGBXFJQBPPRCOG-JAIQZWGSSA-N 435.819 5.392 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(OC)c2)C3=O)cc1 1871387332 PNICABVYXFXEBA-HAHDFKILSA-N 430.456 5.238 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O 1871402023 CFKZIYWALSZQCF-LRSOKBAUSA-N 433.529 5.641 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc(OCc4cc(C)c(C)cc4C)c3C)C2=O)cc1 1871418099 WQGGWOASXCRPPY-YSMPRRRNSA-N 428.528 6.514 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)c(C)c1 1871418764 MEQGZSYYABFCQJ-MCBOVYRESA-N 439.511 5.802 30 10 IKEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1 1871887733 CNQSMWLPGSNPLK-QFIPXVFZSA-N 449.016 5.187 30 10 IKEE N#C[C@@H](C(=O)C(c1ccccc1)c1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1872759267 IVSNEKYTDCVHBR-NRFANRHFSA-N 439.496 5.727 30 10 IKEE N#C[C@@H](C(=O)CCCOc1ccc(Cl)cc1)c1nc(-c2ccccc2Cl)cs1 1872764547 POVVFNXVQZRNGQ-KRWDZBQOSA-N 431.344 6.152 30 10 IKEE COc1ccc(C)cc1-c1csc([C@@H](C#N)C(=O)c2cccc(Br)c2)n1 1872771211 ORMRNPURRUEMTA-INIZCTEOSA-N 427.323 5.380 30 10 IKEE COC(=O)c1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 1872773658 UIVMZBNZOITYDT-NPZXAABXSA-N 444.556 5.784 30 10 IKEE CCc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872787088 ASQGNENNIYETGT-INIZCTEOSA-N 431.344 5.935 30 10 IKEE CCCCCCCCNC1=C(c2cccc(Cl)c2Cl)C(=O)N(Cc2ccco2)C1=O 1873129403 RCDCRUYNECVXLD-UHFFFAOYSA-N 449.378 5.817 30 10 IKEE Cc1ccc(COc2cccc(/C=N/Nc3oc([C@H]4C[C@@H]4c4ccccc4)nc3C#N)c2)cc1 1873470767 QDYMUUHJTIYEGB-SVMVUZLFSA-N 448.526 6.151 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(OC)c(Cl)c2)cc2c(NCc3ccccc3)ncnc21 1873608581 JPQDACOOBBHEQU-UHFFFAOYSA-N 447.926 5.144 30 10 IKEE CSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1ccccc1Cl 1874203573 IRWNJVOZYQOLLV-ZVBGSRNCSA-N 427.744 5.421 30 10 IKEE CCSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1cccc(OC)c1 1874205947 CBHOMVGWQKROLJ-SSDVNMTOSA-N 437.352 5.167 30 10 IKEE Cc1ccc(CSc2nnc(COc3c(C)cccc3C)n2/N=C/c2ccccn2)cc1 1874298552 GQAMBKZVVODOAT-JFLMPSFJSA-N 443.576 5.352 30 10 IKEE Cc1ccc(CCc2nnc(SCc3cccc(F)c3)n2/N=C/c2cccn2C)cc1C 1874331086 UIIVFDCQUHSLOK-JVWAILMASA-N 447.583 5.332 30 10 IKEE C=C(C)CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874395447 MVLIZWJPMKUDOH-ZWGXDWAISA-N 431.392 6.287 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCCC)nnc2[C@H]2CCCO2)cc1OCC 1874450243 XAGSBTUYICTOHJ-KMYAOZERSA-N 432.590 5.092 30 10 IKEE Oc1ccc(Cl)cc1/C=N/n1c(SCc2ccc(Cl)cc2)nnc1[C@@H]1CCCO1 1874450275 XUQOFOQETGEMJA-RIDKEVFESA-N 449.363 5.317 30 10 IKEE Oc1ccc(Cl)cc1/C=N/n1c(SCc2ccc(Cl)cc2)nnc1-c1ccco1 1874467537 OGPKDMIHVPHXLZ-FOKLQQMPSA-N 445.331 5.725 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 1874571197 AQUPRDJJTOFWCN-VQHVLOKHSA-N 428.271 6.377 30 10 IKEE COc1c(Br)cc(Br)cc1/C=C/C(=O)c1ccccc1Cl 1874574936 MNRSFIFPCQNMRX-VOTSOKGWSA-N 430.523 5.770 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1ccccc1Cl)c1cccc2ccccc12 1874583178 AONICPSOXZEKBD-WYMLVPIESA-N 433.334 7.622 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(F)cc1 1874584105 WUXDPRFEAUKQSC-UKTHLTGXSA-N 437.898 5.955 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cc(Cl)ccc1OCc1ccccc1 1874589175 XSSWQTYGOSNOOP-CSKARUKUSA-N 427.327 6.786 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1 1874593585 RGRGMCGQIIXNTB-RVDMUPIBSA-N 439.382 7.811 30 10 IKEE O=C(/C=C/c1cccc(OCc2cccc3ccccc23)c1)c1cc(Cl)ccc1Cl 1874601016 OJVUMJGYNXNMBM-SDNWHVSQSA-N 433.334 7.622 30 10 IKEE Cc1ccc(C)c(COc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2[N+](=O)[O-])c1 1874601779 CPYFWYYHMRCGPL-CSKARUKUSA-N 432.432 5.595 30 10 IKEE CCCOc1c(Br)cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1OC 1874606573 VPJZXWZWVORCKN-QPJJXVBHSA-N 444.152 6.449 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccc(C)cc1 1874606652 ZEOVVYVIXPFJED-YRNVUSSQSA-N 427.327 6.786 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc(F)c2)c(Br)c1)c1ccccc1Cl 1874608919 NPDYNPAIKZDIQY-CSKARUKUSA-N 445.715 6.717 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OCC(=O)NCc2ccccc2)c(Cl)c1 1874619485 CVUJFHCDYUVGHT-PKNBQFBNSA-N 449.934 5.248 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)ccc1OCC(=O)OC 1874628182 QCWJJABWOKPAEG-OQLLNIDSSA-N 432.472 5.326 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC(=O)CC(C)C)c(OC)cc2Br)cc1 1874696653 KOSFKWZYAZMSEA-JXMROGBWSA-N 447.325 5.314 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1)c1ccc(F)cc1F 1874699819 OFGSEICCFUPDBT-RUDMXATFSA-N 443.789 5.642 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(F)c(F)c3F)c2)cc1 1874702253 WDHJVGDPXQTVPX-AWNIVKPZSA-N 440.417 6.008 30 10 IKEE O=C(CSc1ccccc1)Oc1cccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1 1874702760 IEQHUVGKXDDHBW-FMIVXFBMSA-N 443.351 6.587 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cccc(OC(=O)COc3cc(C)c(Cl)c(C)c3)c2)c1 1874703225 FXQGAONLXVMNJQ-ZHACJKMWSA-N 448.946 6.454 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3c(C)cccc3C)c2)cc1 1874703640 ZKPXQZZWHYEQMA-LFIBNONCSA-N 444.527 5.973 30 10 IKEE CCCCCCCCC(=O)Oc1cccc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)c1 1874716390 PRTBKUAZRLVXCO-CCEZHUSRSA-N 442.983 7.209 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)c1 1875085299 YTHRLLZQFPJMET-CSKARUKUSA-N 437.835 5.372 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)ccc1OC(=O)c1ccccc1C 1875099682 SUBDKDKKNTZJAA-JLHYYAGUSA-N 446.499 5.526 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1 1875103563 FLIFSEXMGMYIHO-CIAFOILYSA-N 432.519 7.031 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc(C)cc(C)c3)c(OC)c2)cc1 1875107781 IPGGIOLHAMMFBC-GXDHUFHOSA-N 442.555 6.770 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)CCCSC 1875121532 UKVRVMRKUHRURQ-MDZDMXLPSA-N 434.941 5.302 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C2CCCC2)c(Br)c1)c1ccc(Cl)cc1 1875126108 QGASJLGKIJZNBJ-VZUCSPMQSA-N 433.729 6.094 30 10 IKEE CCc1ccc(C(=O)Oc2c(Cl)cc(/C=C/C(=O)c3ccc(C)cc3)cc2OC)cc1 1875132697 ZKPXNXCYQZPULF-NTEUORMPSA-N 434.919 6.335 30 10 IKEE COc1ccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(C)c3)cc2)cc1 1875141134 PGBBRRVPIPGJBK-FRKPEAEDSA-N 448.490 5.803 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(C)c3)cc2)cc1OC 1875141237 UMANDDKMGMBFSY-WUXMJOGZSA-N 434.463 5.196 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1Cl)c1ccccc1Cl 1875154285 WZJSQXUWOBETBZ-WYMLVPIESA-N 447.317 7.262 30 10 IKEE C[C@@H](C(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1Cl)c1ccccc1 1875162953 XVBOEPJNRJABKM-XKOZXHHJSA-N 426.846 6.223 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)Cc1cccs1 1875166607 OWKFKDOWFJLBFL-JXMROGBWSA-N 436.529 5.426 30 10 IKEE CCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(OCC)ccc2OCC)cc1OCC 1875172711 INKKPZYTPVVWKT-JLHYYAGUSA-N 426.509 5.484 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C(C)(C)C)ccc3C)cc2)c1 1875184578 HARVJFQVCMYGSW-GXDHUFHOSA-N 426.556 7.025 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1 1875191667 YAGFPLVKXXYQAQ-MDWZMJQESA-N 427.283 6.117 30 10 IKEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN(Cc1ccccc1)Cc1cccs1 1915410887 WSXWSJRRWNBGDX-UHFFFAOYSA-N 449.425 5.258 30 10 IKEE CCCCCCC[C@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 1947479843 UCAIPTVMTWXQPZ-DNQXCXABSA-N 434.665 6.215 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)C12CCC2 2015371254 DXMOUQBQDHZDQW-HSZRJFAPSA-N 447.963 5.517 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC[C@@]2(C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 2032041713 CKOJNUHXZORTPM-WVCKHHOPSA-N 445.535 5.106 30 10 IKEE COc1cc(NC=CC(=O)c2ccc3noc(-c4ccc(C)cc4)c3c2)cc(OC)c1OC 2040736966 ZFVFPFCJROGTFS-UHFFFAOYSA-N 444.487 5.638 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Br)c1Cl)NCC 2047977101 SJUWIALJOUSSKT-HOTGVXAUSA-N 431.802 5.093 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2076325111 ICUGGMFFGCOQFG-CLOONOSVSA-N 449.636 5.876 30 10 IKEE CC(C)[C@@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)(F)F)c(C(=O)O)c1Cl 2079970238 PHMAHYGOXCXEMR-NSHDSACASA-N 432.723 5.657 30 10 IKEE CC(C)(C)[C@@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)(F)F)c(C=NO)c1Cl 2079971800 MDUQRDGCNVXWNA-CYBMUJFWSA-N 445.766 6.157 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCOC12CCCCC2 2143843855 DZOQWEUDGXUVFF-HXUWFJFHSA-N 435.362 5.576 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1c1ccc(Nc2cc(Br)ccc2C#N)cc1 2162386701 FYCSQBIEKKJZBE-MJGOQNOKSA-N 428.330 5.445 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc(OCCNc2cc(Br)cc(C#N)c2)c1 2162418752 VWDCBXFZLNTAGS-UHFFFAOYSA-N 432.318 5.159 30 10 IKEE C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)Nc1cc(Br)cc(F)c1C#N 2163707438 JVPCYGFDSQVCHD-ZUOKHONESA-N 440.357 5.345 30 10 IKEE C[C@H]1CCCN(c2ccc(C#N)c(Br)c2)[C@@H]1CCCNC(=O)OC(C)(C)C 2174808202 LJOWPNNFOPQEQL-HNAYVOBHSA-N 436.394 5.231 30 10 IKEE CC(C)(C)OC(=O)N1CCC(C#N)(Oc2cc(Br)ccc2C(F)(F)F)CC1 2198811357 QYZPITBBZVSBLG-UHFFFAOYSA-N 449.267 5.140 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCCC)c2cc(F)c(Br)c(F)c2)C1 2207141381 FCQVOYYVBXUBQL-KRWDZBQOSA-N 445.348 5.382 30 10 IKEE O[C@@H](C#Cc1ccccc1Br)c1cccc(Br)c1Br 2227485053 NBMVJSRDIIACQY-AWEZNQCLSA-N 444.948 5.059 30 10 IKEE C=CCCN(Cc1ccccc1)c1c(CN[C@H](C)CC)ccc(Br)c1Cl 2231461003 MMHGSBOQSBHKEM-QGZVFWFLSA-N 435.837 6.573 30 10 IKEE O=C(OCc1ccccc1)N(CC(F)(F)F)[C@H](CO)c1ccc(C(F)(F)F)cc1F 2235302410 OYNAMLNBMLEANC-MRXNPFEDSA-N 439.327 5.079 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(C)ccc1Br 2236339103 NXXZSVOHRBCEJG-GOSISDBHSA-N 431.330 5.773 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)[C@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 2249578108 IVWLHRUNEQONOM-MICWEPACSA-N 447.963 5.231 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Br)cc(C(C)C)c1 2266003476 RBHDMPYIBVFNNT-RTBURBONSA-N 425.411 5.693 30 10 IKEE C=CCCC1(C(=O)Nc2cc(C)c(Br)cc2F)CN(C(=O)OC(C)(C)C)C1 2281047925 LAIDSTJXQSTRFV-UHFFFAOYSA-N 441.341 5.038 30 10 IKEE CC[C@@H](C)N(Cc1ccccc1)C(=O)c1ccc2cc(B3OC(C)(C)C(C)(C)O3)ccc2c1 2281831864 ZPUFZSGTQOYDPT-HXUWFJFHSA-N 443.396 5.580 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](CNc2c(Br)cccc2C#N)(C(C)(C)C)C1 2285178831 JLHJFHSRUVTYRN-OAQYLSRUSA-N 436.394 5.406 30 10 IKEE CC(C)(C)OC(=O)N1CCCc2cc(Nc3c(Br)cccc3C#N)ccc21 2285241356 KMPZHDIAOFKLCS-UHFFFAOYSA-N 428.330 5.752 30 10 IKEE CCCCCCCC[C@H](OCCN)c1cc(Br)c(Br)s1 2293367167 ARBHRDNPQRLUMS-ZDUSSCGKSA-N 427.246 6.040 30 10 IKEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)C=Cc3ccc(OC)c(OC)c3)c2C#N)C1 2294930933 AEUQPGDABIMYAX-KRWDZBQOSA-N 438.593 5.830 30 10 IKEE CN1[C@H](c2ccccc2)C[C@H](N=Cc2ccccc2)[C@H](c2ccccc2)[C@H]1c1ccccc1 2295099885 VOXJOUOUCQMCPD-XHPANXIASA-N 430.595 7.076 30 10 IKEE CN[C@@H](C#Cc1ccccc1Cl)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2295224244 LIEKFIPRKAXNSB-SFHVURJKSA-N 449.776 5.762 30 10 IKEE CCC(=O)C=Cc1cc(Br)c(OCc2cccc3ccccc23)c(OC)c1 2296515255 OACAABBBPNUBNV-UHFFFAOYSA-N 425.322 6.182 30 10 IKEE Cc1ccc2nc(-c3ccc(N=CC=Cc4ccc(Br)cc4)cc3)sc2c1 2297624048 LLVBNFOCBYXEIP-UHFFFAOYSA-N 433.374 7.450 30 10 IKEE Cc1ccc(N2C(=O)C(C)(C)[C@@H](N3CCCCC3)C2=NC23CC4CC(CC(C4)C2)C3)cc1 2297736814 VXANDOXHZPFXFR-SZBWURDLSA-N 433.640 5.590 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@@H]3CC[C@@H]32)c1 2309988187 AMWMKURZOZLVGD-WZOHSFFVSA-N 441.572 5.418 30 10 IKEE CC(C)c1ccc(C=C2SC(=Nc3cccnc3Cl)N(c3ccccc3)C2=O)cc1 2314540544 SJZCNOYVEBIHJZ-UHFFFAOYSA-N 433.964 6.667 30 10 IKEE Cc1cc(CN(CCC(F)(F)F)Cc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2320589950 DIXWURFYMKFWDT-UHFFFAOYSA-N 433.323 5.249 30 10 IKEE O=[N+]([O-])c1ccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C2CC2)cc1 2320867932 GDSUDNUFXHNDID-UHFFFAOYSA-N 448.335 5.545 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CC2)cc1 2320892077 ASFDBDPNPBBCQS-UHFFFAOYSA-N 426.973 5.772 30 10 IKEE CCCCCCCCN1COc2ccc3c(c2C1)OC(=Cc1cn(C)c2ccccc12)C3=O 2322190736 JDJRJMJGQOCBEH-UHFFFAOYSA-N 444.575 6.307 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc4c3CN(CCc3cccs3)CO4)C2=O)cc1 2322193411 MXZWBJYCCOPLLO-UHFFFAOYSA-N 433.529 5.158 30 10 IKEE Cc1ccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3ccc5c(c3)OCO5)C4)C2=O)cc1 2322371918 UJUZEARGUMVPAJ-UHFFFAOYSA-N 441.483 5.000 30 10 IKEE COc1cccc(C=CC(=O)c2cccc(Cl)c2)c1OCc1ccc(Cl)c(Cl)c1 2322527937 ADFUHTSTDQDLRN-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(Cl)cc2)c1OCC(=O)Nc1cc(C)cc(C)c1 2322542392 QFJDRRSWKMTXNG-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C)cc2C)c1OCC(=O)Nc1ccc(F)cc1 2322579897 UBINUBZFFJSFIE-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2c(OCc3cccc(Cl)c3)ccc3ccccc23)cc1 2322732882 JCAPFARUZRLONF-UHFFFAOYSA-N 440.970 8.092 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC)c1OCc1cccc(F)c1 2322774940 KTABGQMJHKCUSG-UHFFFAOYSA-N 448.534 6.616 30 10 IKEE COc1cc(C=NNc2ccc(C)c(Cl)c2)cc([N+](=O)[O-])c1OCc1ccccc1C 2322969539 PNVRUNSZOIKGNL-UHFFFAOYSA-N 439.899 5.899 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc(C)c(C)c4)c3C)C2=O)cc1 2323248280 WZAHYRSFZGJXSH-UHFFFAOYSA-N 428.484 5.846 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1Cl 2323378732 PWHSGIPOHAXVQP-UHFFFAOYSA-N 437.879 6.122 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(Cl)c1OCc1ccccc1C 2323387728 FCOZLNISHLUQGV-UHFFFAOYSA-N 442.942 7.285 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1 2323627267 DQPPKVTWESHQSX-UHFFFAOYSA-N 426.424 5.004 30 10 IKEE CCCCCCCCNC(=O)[C@](C)(CC)NC(=O)C=Cc1ccc(Cl)c(Cl)c1 2323629729 IUHMNIYKVNIMGR-QFIPXVFZSA-N 427.416 5.768 30 10 IKEE CCCOc1c(Br)cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC 2323686466 CLOYPNJRCMJJOJ-UHFFFAOYSA-N 434.286 5.441 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O)c1ccc(Cl)c([N+](=O)[O-])c1 2323701330 DFDYXKLCXRJWQO-UHFFFAOYSA-N 447.830 5.640 30 10 IKEE COc1ccc(C=NNc2nc(-c3cccs3)c(C)s2)c(Br)c1OC 2323854667 LTKIHIWERTVPSO-UHFFFAOYSA-N 438.372 5.406 30 10 IKEE CCN(CCc1ccncc1)Cc1c(O)ccc2c1OC(=CC=Cc1ccccc1)C2=O 2324090833 UVLKMGRLPVQIPM-UHFFFAOYSA-N 426.516 5.024 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(O)c3CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)C2=O)cc1 2324097370 JPRRBVSAXKELKA-CLYVBNDRSA-N 433.548 5.418 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(O[C@H](C)C(=O)Nc4ccccc4)c3C)C2=O)cc1 2324405776 XVKPHEUCNSDCSJ-GOSISDBHSA-N 443.499 5.416 30 10 IKEE CCCOc1c(Cl)cc(C=CC(=O)c2cc(Cl)c(OC)cc2OC)cc1OC 2324422023 YUALVLSWVMDQSI-UHFFFAOYSA-N 425.308 5.704 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccc(C)cc4C)ccc3C2=O)cc1 2324494042 KWVJRSURVFQJCB-IBGZPJMESA-N 427.500 5.634 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3C)c(Cl)c2)c(C)c1 2324545966 IVZJBTAPFNFBMB-UHFFFAOYSA-N 447.962 6.487 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3cc(C(C)(C)C)ccc3C)cc2)cc1 2324571026 MIQLWMPCRWTBKJ-UHFFFAOYSA-N 441.571 6.515 30 10 IKEE Cc1cccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccc(Cl)cc4)cc(C)c3C2=O)c1 2324611343 FDHKGQVRGQHHNT-KRWDZBQOSA-N 447.918 5.979 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)ccc1OCc1ccccc1 2324665722 KHPYKJZSJDWBMQ-UHFFFAOYSA-N 427.327 6.867 30 10 IKEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(OC)c4ccccc34)cc2)o1 2324672983 GWXVRAPCSCJKDF-UHFFFAOYSA-N 442.467 5.703 30 10 IKEE Cc1cc(OCC(=O)C(C)(C)C)cc2c1C(=O)C(=Cc1ccc(Br)cc1)O2 2324919191 LTXLXKJZDUENSM-UHFFFAOYSA-N 429.310 5.368 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(C(C)(C)C)cc2)ccc2c1OC(=Cc1ccncc1)C2=O 2325552714 JHIAMJHYFANJSZ-UHFFFAOYSA-N 442.515 5.321 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3cc(Cl)ccc3Cl)c2)cc1 2325719040 NIIHWQWMGMMFKQ-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccc(C)cc3)c2)cc1 2325733421 MMRVDLVYNBTFHK-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3cc(F)ccc3F)c2)cc1 2325735127 RJHNKEOGKJNPEE-UHFFFAOYSA-N 438.426 5.244 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2)cc1 2325739454 SSNZDDAUDJFPSM-UHFFFAOYSA-N 445.471 5.807 30 10 IKEE CCC(=O)Oc1cc(C=CC(=O)c2ccc(C(C)C)cc2)c(Br)cc1OC 2325750528 GNCBXNHRGREYFT-UHFFFAOYSA-N 431.326 5.793 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccccc3C)c2)cc1C 2325770559 XIGJFSFLYZAZKH-UHFFFAOYSA-N 430.500 5.744 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1c[nH]c2ccccc12 2327363218 ALGZHOVLLRNJMH-UHFFFAOYSA-N 445.592 5.841 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccccc3F)n2N=Cc2ccccc2)cc1 2328567783 YMDZDPBMWLEQRL-UHFFFAOYSA-N 446.551 5.581 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2N=Cc2ccncc2)cc1C 2329454781 IZYXHNAGULIUCY-UHFFFAOYSA-N 447.995 5.709 30 10 IKEE COc1ccccc1C=Nn1c(CCc2ccccc2C)nnc1SCc1ccccc1 2329485104 ZUWIFJZIFBJKNC-UHFFFAOYSA-N 442.588 5.555 30 10 IKEE CCSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(OC(C)C)c(OC)c1 2329561098 NQOWOOBRBUPRIQ-UHFFFAOYSA-N 430.961 5.389 30 10 IKEE CC(C)c1ccc(C=CC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccc(C(C)(C)C)cc3)CCN2)cc1 2329669012 QWNQCDOYCOTQDX-RPBOFIJWSA-N 447.623 5.632 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccccc1O 2330135665 PSIMHJWXLPLWGH-KRWDZBQOSA-N 448.979 5.963 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccccc1 2330139917 SMSKBJOCSHVVRO-GOSISDBHSA-N 432.980 6.258 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2ccccc2F)c1 2330643089 PJYKZDOCTNSZFY-UHFFFAOYSA-N 445.523 5.006 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1OCC 2330690398 PBCITMYWKGUYAC-UHFFFAOYSA-N 426.940 6.219 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)ccc1OC(=O)Cc1ccccc1OC 2330794689 MIIRQGMRGHDTNJ-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE CC(C)c1ccc(C=Nn2c(CC(C)(C)C)nnc2SCC(=O)Nc2ccccc2)cc1 2330805461 RUNYNNDVVCJXJX-UHFFFAOYSA-N 449.624 5.603 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(F)cc2)n1N=Cc1cc(Cl)ccc1O 2330819378 ANXYBBFPXJRBPL-UHFFFAOYSA-N 432.952 5.539 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)COC)c(Br)c2)cc1 2330833274 ICIFKUWIUUWFNO-UHFFFAOYSA-N 431.326 5.240 30 10 IKEE Fc1ccccc1CSc1nnc([C@H]2CCCO2)n1N=Cc1c(F)cccc1Cl 2330961162 VPALEACVXKJZCE-GOSISDBHSA-N 434.899 5.236 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCc3ccccc3)nnc2C(F)(F)F)cc1 2331136241 OGJQGRARRFBJGL-UHFFFAOYSA-N 433.503 5.318 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OC(=O)CCOc1ccccc1 2331136315 BNJMLEQBTOAMSM-UHFFFAOYSA-N 436.891 5.619 30 10 IKEE Fc1cccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C(F)(F)F)c1 2331156101 LRZRHEUXEMTPJX-UHFFFAOYSA-N 449.260 5.917 30 10 IKEE Oc1ccc(Cl)cc1C=Nn1c(SCc2cccc(F)c2)nnc1-c1ccco1 2331188549 UUJXZEABNNMMPA-UHFFFAOYSA-N 428.876 5.211 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)CC(C)(C)C)c(OC)c2)cc1 2331193303 XCPVTLHKQHLKIF-UHFFFAOYSA-N 426.509 5.340 30 10 IKEE COCCOCC(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1Cl 2331242361 SNJALUJHJPCAOU-UHFFFAOYSA-N 443.710 5.111 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)[C@@H](C)c1ccccc1 2331319332 IIRVSGWHLHYYSF-FQEVSTJZSA-N 444.527 5.926 30 10 IKEE C=C(C)CSc1nnc(CCCC)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2331336048 IMRBEOKRPUDACU-UHFFFAOYSA-N 434.565 5.390 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)c3cccnc3)c(Br)c2)ccc1F 2331337732 WEUSBXKCLLESIK-UHFFFAOYSA-N 440.268 5.407 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2)cc1 2331489768 CQDYCGNLAJSZPP-UHFFFAOYSA-N 428.528 6.253 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)c3cccnc3)c(OC)c2)c1 2331684770 RQUYQJYDJRPLIR-UHFFFAOYSA-N 447.487 5.003 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)C2CCCC2)c([N+](=O)[O-])c1 2331794888 HITOQIFUWJQUGW-UHFFFAOYSA-N 435.520 6.192 30 10 IKEE CCN[C@H](C#CC1(OC)CCC1)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2362711076 WKPDLOLNRQPIGW-QGZVFWFLSA-N 437.378 5.019 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(C)cc(Br)c1OC 2365215917 OYTWVSDLLMPSTN-MSOLQXFVSA-N 441.410 5.276 30 10 IKEE CSc1cccc(Oc2cc(NC(=O)OC(C)(C)C)c(C)cc2Br)c1C#N 2370352042 XCRMFHXZGGWOMB-UHFFFAOYSA-N 449.370 6.490 30 10 IKEE CC[C@H](C)Oc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 21257918 RDMIUSADMAGBOC-SFWPYAFRSA-N 438.571 6.843 30 10 IKEE Cc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)cc1C 21722289 FCKGNHMEIJGGMQ-RUZDIDTESA-N 427.504 6.109 30 10 IKEE C=CCn1c(SCc2nc(-c3ccc(Cl)cc3)no2)nc2sc(C)c(C)c2c1=O 21987794 ORRIUMLZZCWZGG-UHFFFAOYSA-N 444.969 5.257 30 10 IKEE N#Cc1ccc(-c2ccccc2)nc1SCC(=O)Nc1sc2c(c1C#N)CCCC2 33011244 KFDQGZWYFJMWTF-UHFFFAOYSA-N 430.558 5.163 30 10 IKEE O=C(/C=C/c1c(Cl)cccc1Cl)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 34955104 MOFLEXCVOUGIBH-OUKQBFOZSA-N 442.254 6.017 30 10 IKEE C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1sc(=S)c2c(c1C#N)CC[C@@H](C)C2 41017931 RBJBHXORDYBTEH-CABCVRRESA-N 440.634 6.178 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O3)CN(Cc1ccncc1)CO2 41645905 GDJMPTSNQWAMKA-CFRMEGHHSA-N 426.516 5.482 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccccc2SCCCC)nnc1-c1ccccc1 59775755 XSNPQDBHQZISJR-UHFFFAOYSA-N 438.622 5.754 30 10 IKEE Cc1cc(Br)c2nc(C)c(C(=O)Nc3scc(C(C)(C)C)c3C#N)n2c1 71554204 XCLZWNXCTLIAQU-UHFFFAOYSA-N 431.359 5.197 30 10 IKEE CCCCCCCOc1ccccc1NC(=O)O[C@H](CN(CC)CC)CN1CCCC1 95828128 WAEDZRFJDPSTQP-JOCHJYFZSA-N 433.637 5.391 30 10 IKEE CCCCCCCCCn1c(CCCCCNC(=O)c2ccc(C)cc2)nc2ccccc21 102172686 BOYIEXMNUKYISB-UHFFFAOYSA-N 447.667 7.238 30 10 IKEE COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@H](C#N)c2ccc(F)cc2F)cc1 111029108 RLGDVTSMEVGEID-XMMPIXPASA-N 445.469 5.435 30 10 IKEE CCCOc1ccccc1/C=N\n1c(C)nnc1SCc1ccc(Cl)cc1Cl 138202289 OWLISOXCBFFATA-FMCGGJTJSA-N 435.380 5.857 30 10 IKEE COc1cc(/C=N\Nc2nc3ccccc3[nH]2)ccc1OCc1c(Cl)cccc1Cl 169899928 STBJOZRORGRYAK-ROTLSHHCSA-N 441.318 5.903 30 10 IKEE CCOc1cc([C@@H]2NC(=S)N(CC)C(C)=C2C(=O)c2ccccc2)ccc1OC(C)C 169931768 OEHWFDBTBUYKPI-QHCPKHFHSA-N 438.593 5.281 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1c1ccc(C)cc1 169944672 IOXLVUVYALSUQU-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccc(F)cc2)c1 169972475 KXCZSPZCJKEFCG-HSZRJFAPSA-N 433.454 5.360 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2cccs2)cc1 169988172 SOTNFOLDSOQKJC-FQEVSTJZSA-N 425.456 5.372 30 10 IKEE CCCCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccn2)cc1 169993602 STOWOIMFRDSAPJ-HSZRJFAPSA-N 430.479 5.346 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccc(F)cc2)c(C)c1 170061227 VMOLJYFXZMBVEB-DEOSSOPVSA-N 445.490 5.542 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1Cc1ccc(F)cc1 170108016 GUQFIMNOLBTYJQ-NRFANRHFSA-N 447.487 5.720 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(O)cc2)cc1C(C)C 170135592 UTGALIGIEBVMQT-DEOSSOPVSA-N 449.547 5.435 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2ccc(F)cc2)c1 170140728 IHPLMGNEOAPFNY-VOIUYBSRSA-N 443.474 5.240 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(OC(C)C)cc1 170152480 IKWLKVOFUVZVNK-DEOSSOPVSA-N 429.516 5.615 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccs2)c1 170155846 RNVLZRHEVJTCEV-IBGZPJMESA-N 443.883 5.332 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2cccs2)cc1 170159605 MKBUXIHXYFBNII-HSZRJFAPSA-N 425.509 5.993 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccccn1)c1ccc2c(c1)CCCC2 170169425 ZYHSMMIJFPOFFX-HSZRJFAPSA-N 446.453 5.022 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2cccnc2)c1 170185178 AWWOJHLOGPRCMC-RUZDIDTESA-N 438.527 5.360 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@@H]1c1cccc(OCC)c1 170217675 PJPVDORHUKAXCX-QFIPXVFZSA-N 437.536 5.089 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccc(F)cc1 170240350 IHGSHETULOVRHR-UPCLLVRISA-N 443.474 5.240 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)c(Cl)c2)=C(O)C(=O)N1C[C@H]1CCCO1 170273647 ZGBONHFGUYWFHI-FOIQADDNSA-N 446.330 5.059 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccco2)c1 170281573 BDTJSDMCVLZJTH-QFIPXVFZSA-N 435.451 5.236 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccc(C)o2)cc1C 170300136 XYMIWQXETJMEPX-DEOSSOPVSA-N 445.515 5.695 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccc(C)o2)cc1 170301445 YVQJZOCITGAVPN-QHCPKHFHSA-N 447.487 5.167 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1sccc1C 170316189 UOKIGAKFIOCTJO-SFHVURJKSA-N 443.908 5.090 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1ccc(C(F)(F)F)cc1 170406229 DLGBUSVSOHBOLY-GOSISDBHSA-N 443.446 5.858 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 170415142 SEPJIFQOJBMTOJ-HSZRJFAPSA-N 444.506 5.297 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(OC(F)(F)F)cc2)c1 170458597 KZOUQYVRJFFNDC-IBGZPJMESA-N 443.377 5.270 30 10 IKEE Cc1cc(C)cc(-c2nc3cc(N=Cc4cc([N+](=O)[O-])cc([N+](=O)[O-])c4O)ccc3o2)c1 252607053 GXSIWCPEZCCAAE-UHFFFAOYSA-N 432.392 5.384 30 10 IKEE O=C(ON=Cc1ccc(Cl)cc1Cl)c1cnn(-c2ccccc2)c1C(F)(F)F 254752963 COFYSGWPMSRRDE-UHFFFAOYSA-N 428.197 5.389 30 10 IKEE C=C(COCCC)[C@@H](NCCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 407156543 UWMVUJVZUWPVKH-LJQANCHMSA-N 441.410 5.820 30 10 IKEE Cc1cccc(NC2=C(Sc3ccc(Cl)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)c1 526642559 FWBHPQKPZFTZHA-UHFFFAOYSA-N 445.931 5.509 30 10 IKEE Cc1ccc(COc2ccccc2/C=N\n2cnnc2SCc2ccc(F)cc2)cc1 526801628 XUOMJFRDQAQINM-VYYCAZPPSA-N 432.524 5.479 30 10 IKEE CCCCOc1cccc(/C=N\n2c(CCC)nnc2SCc2ccc(Cl)cc2)c1 526807100 HKMNXLHKPRIJCQ-XYGWBWBKSA-N 443.016 6.237 30 10 IKEE Cc1nnc(SCc2ccc(Br)cc2)n1/N=C\c1c[nH]c2ccccc12 526819106 AVHVZSKJMUHDNY-JJFYIABZSA-N 426.343 5.005 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(CC#N)c2cccc(OC(F)(F)F)c2)cc1 586235732 FLWKKIAJFWWNQL-UHFFFAOYSA-N 440.487 5.427 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@](C)(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 698883594 CUFUUHKTVNQPSW-JPYJTQIMSA-N 449.617 5.557 30 10 IKEE N#Cc1nc(-c2ccccc2Br)c(-c2ccccc2Br)nc1Cl 725334098 LQAZYNMMFWDSOL-UHFFFAOYSA-N 449.533 5.861 30 10 IKEE C=C1CC[C@@H](O)C/C1=C/[C@H](O)[C@]1(O)CCC[C@@]2(C)[C@H]([C@@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]21 1084293992 KXILCRGOVVVVRF-YQOCWEOOSA-N 430.673 5.807 30 10 IKEE O=C1[C@H](Cc2cccc(C(F)(F)F)c2)SC(=Nc2ccccc2)N1c1ccccc1 1772727864 HONYHEWSZAQIGD-FQEVSTJZSA-N 426.463 6.084 30 10 IKEE N#Cc1c(N2CCC3(C=Cc4cc(-c5ccccc5)ccc4O3)CC2)ncc2c1CCCC2 1859824277 AZVRQOPQVNJZTG-UHFFFAOYSA-N 433.555 5.944 30 10 IKEE C=CCNC(=O)CCc1c(C)c2cc3c(-c4ccc(Cl)cc4)coc3c(C)c2oc1=O 1860280883 KYBWLSYNVVTZKB-UHFFFAOYSA-N 435.907 5.711 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 1861220675 VXWMEYNIBMMLHF-DQEYMECFSA-N 443.676 5.050 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)CCCOc1ccc(OC)cc1 1861720350 IRTOHWVXTXYYSA-QHCPKHFHSA-N 434.621 5.006 30 10 IKEE CCCCCCCCCCNC(=O)c1cc(CCCC)n(Cc2cc(C)ccc2C)n1 1862323366 YQVPBFXRHLHPJS-UHFFFAOYSA-N 425.661 6.761 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@@H]2c2cccc(OCC)c2)cc1 1862392907 IWUCLPCHZBENDH-XMMPIXPASA-N 435.564 5.806 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@@H]1c1c(Cl)cccc1Cl 1862394930 SIJDDQCRTTWILQ-NRFANRHFSA-N 444.358 6.100 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccccc1 1862429165 HNDDOXBQQRSNEC-QFIPXVFZSA-N 433.891 5.127 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2[C@H](C)c2ccccc2)c1 1862429655 RNCNQECDOGWFDC-HXOBKFHXSA-N 431.919 5.988 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(O)cc1 1862430363 IVNXQSKKIWUCTA-QRQCRPRQSA-N 433.891 5.385 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc2ccccc12 1862435513 XMNGEOZVGJTWLY-QFIPXVFZSA-N 435.907 5.108 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(O)c(OCC)c1 1862437821 ZSGATTOSQZKRIG-OAQYLSRUSA-N 443.927 5.213 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(Cl)cc1Cl 1862443949 RZXGOQCPBLUOLL-ZMZPIMSZSA-N 438.738 6.024 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C(C)C)cc1 1862477793 RPTWBKQOIWCYFZ-RSXGOPAZSA-N 447.619 7.056 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 1862478194 AUSJJVXBHPIVSV-AQKFKSFVSA-N 434.492 5.060 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2c(F)cccc2Cl)cc1 1862480867 QNBHJBSPODAZBB-YOMUGFJLSA-N 441.930 5.945 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccc(OC)c1 1862488557 CDIQGDFSKIXKPD-OFVILXPXSA-N 449.591 6.249 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccccc2C(=O)O)c1 1862493811 YJACVANXXMQYRM-LXBDKUERSA-N 447.531 5.159 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(F)cc1)c1ccc2c(c1)CCCC2 1862544952 OUKBZGWGHPHRAF-RUZDIDTESA-N 441.502 5.483 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CC)cc1 1862552951 OFTWNXKSCHKUJT-VWLOTQADSA-N 447.575 5.733 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1cccc(Cl)c1 1862618013 NASXXRWPQGGQJF-QFIPXVFZSA-N 439.983 6.262 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C2CCCCCC2)cc1 1862626248 YUZINUAZPOPTAS-HSZRJFAPSA-N 433.504 5.025 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(C(=O)O)cc2)cc1 1862664676 OIFRTLHCQXYDGS-HSZRJFAPSA-N 447.531 5.419 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)cc1 1862678838 SPTOXYGHKQRLBN-OZWPHOJSSA-N 435.539 6.106 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 1862690127 IKLXVOXZZGBBSD-HXUWFJFHSA-N 447.453 5.483 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2c(F)cccc2Cl)c1 1862705330 VLLQELQPUGDNTK-NRFANRHFSA-N 443.902 5.399 30 10 IKEE N#Cc1ccc(NC2=C(c3c[nH]c4ccccc34)C(=O)N(c3ccccc3Cl)C2=O)cc1 1863135007 RZZVUJVMAYIIHN-UHFFFAOYSA-N 438.874 5.090 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(Cl)ccc2OC)=C(c2cccs2)C1=O 1863474760 MJQARMMWXUBFTQ-UHFFFAOYSA-N 447.000 5.963 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC(C)C)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863633599 VKHJYDOHRGFOLR-UHFFFAOYSA-N 439.427 6.212 30 10 IKEE CCCCCCCCNC1=C(c2ccc(F)c(C)c2)C(=O)N(Cc2ccc(F)cc2)C1=O 1863789825 ZYVFROWXTSKWPW-UHFFFAOYSA-N 440.534 5.503 30 10 IKEE CCCC[C@@H](NC(=O)C[C@H](c1ccc(F)c(C)c1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866768819 YIKDXYJCXZIRNY-LADGPHEKSA-N 437.559 5.449 30 10 IKEE CCCCCCCCCCn1cc(C(=O)N[C@@H](C)c2ccc(OC)cc2)c(O)cc1=O 1870118920 VPQHMIMSXGQEEG-IBGZPJMESA-N 428.573 5.194 30 10 IKEE Cc1c(Cl)cccc1-n1nnc(C#N)c1NC(=O)/C=C/c1ccc(Cl)cc1Cl 1870140759 IESUDGVBQGJBHF-SOFGYWHQSA-N 432.698 5.060 30 10 IKEE C=CCn1cc(OCCOc2ccc(C(C)(C)C)cc2)c(=O)cc1CN1CCCCCC1 1870591456 ARQLNUGLKYBCGC-UHFFFAOYSA-N 438.612 5.166 30 10 IKEE C=CCOc1cn(Cc2ccccc2C)c(CNc2cc(Cl)cc(Cl)c2)cc1=O 1870809699 QUIRQXRYCNJADY-UHFFFAOYSA-N 429.347 5.689 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)c(Cl)c2)c(=O)cc1CNc1cccc(Cl)c1 1870825951 KXTVNBKGMTXAGI-UHFFFAOYSA-N 449.765 6.186 30 10 IKEE CCCCCCCOc1cn(Cc2ccncc2)c(CNc2ccc3[nH]ncc3c2)cc1=O 1870836436 WNSNIBDLDJOQGY-UHFFFAOYSA-N 445.567 5.129 30 10 IKEE CCCCCCCOc1cn(Cc2ccccn2)c(CNc2ccc(OC)cc2C)cc1=O 1870838094 ODZXXABVBWRPMU-UHFFFAOYSA-N 449.595 5.570 30 10 IKEE C=CCn1cc(OCCOc2cccc(C)c2)c(=O)cc1CNc1ccc(CCCC)cc1 1871209434 GDPKETPQLDRJCM-UHFFFAOYSA-N 446.591 5.755 30 10 IKEE COCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccccc1C(C)C 1871251046 KTQQSBXWPIZSSN-UHFFFAOYSA-N 445.563 5.071 30 10 IKEE Cc1cccc(/C=C2\Oc3c(cc4c(c3C)OCN(CCOc3ccccc3)C4)C2=O)c1 1871352392 FYKJCTUTJHQATF-OYKKKHCWSA-N 427.500 5.151 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871412245 XTLOUASGEKWQLW-MGKUZBKYSA-N 441.527 5.888 30 10 IKEE COc1ccc(OCCCOc2ccc3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1 1871415529 HAVCRVSWPHXEIX-IWIPYMOSSA-N 447.443 5.068 30 10 IKEE Cc1oc2cc(OCc3ccc(C#N)cc3)ccc2c(=O)c1-c1ccc2c(c1)OCCCO2 1871417826 SHFNBFDAZMPGKP-UHFFFAOYSA-N 439.467 5.380 30 10 IKEE Cc1c(OCC(=O)N[C@@H](C)c2ccccc2)ccc2c1O/C(=C\c1cccc(F)c1)C2=O 1871424496 LHUSDDFVBLSAAP-PGECNJAHSA-N 431.463 5.007 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2c(c1C)O/C(=C\c1cccc(Cl)c1)C2=O 1871431467 ZKSKJPIMUYLTEH-STZFKDTASA-N 427.928 5.292 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc(Cl)c4)cc(C)c3C2=O)cc1 1871454538 PHZSCRNXRNFCNW-JJFYIABZSA-N 449.890 5.291 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4c(C)cc(C)cc4C)ccc3C2=O)cc1 1871458885 OQAIRRCSMYKFDC-QFEZKATASA-N 441.527 5.808 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4F)cc(C)c3C2=O)cc1 1871459979 OKRQESQAAAZAIW-QRVIBDJDSA-N 431.463 5.330 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3cc(C)ccc3C)cc(C)c2C1=O 1871460280 DLQAMTRKYCFABK-CFRMEGHHSA-N 443.499 5.254 30 10 IKEE CCCCCCCCN=c1nc(N2CCC[C@H](C)C2)[nH]c(=Nc2ccc(F)c(Cl)c2)[nH]1 1871656070 NOQUEPMQTORASB-KRWDZBQOSA-N 449.018 5.260 30 10 IKEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)c(C)c1 1871802662 DMWITKHDOVJPII-JOCHJYFZSA-N 449.016 5.249 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1)[C@H](C)CC)S(=O)(=O)c1c(C)cc(C)cc1C 1872149272 BMOFPWDULIBEGE-AUSIDOKSSA-N 442.625 5.232 30 10 IKEE CC(C)N1C[C@@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)CC1=O 1872779757 QTTSLXKYAIESGF-GHTZIAJQSA-N 445.544 5.036 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@@H](C#N)C(=O)Cc2cccc3ccccc23)n1 1872788324 HBXZPLWUYPOZJR-FQEVSTJZSA-N 432.932 6.044 30 10 IKEE CCCCCCN1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(-n3cccc3)cc2)C1=O 1873204428 KKZVLOYZBNEJGO-UHFFFAOYSA-N 438.531 5.121 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(OC)c(Cl)c2)=C(c2cccnc2)C1=O 1873269195 OROSLDDUTCVBPO-UHFFFAOYSA-N 441.959 5.296 30 10 IKEE Cc1cc(C)c(C2=C(Nc3cccc(C#N)c3)C(=O)N(C3CCCCCC3)C2=O)c(C)c1 1873329374 OVWIWOCPWPFWAN-UHFFFAOYSA-N 427.548 5.398 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C(C)C)cc2)cc2c(N(C)Cc3ccccc3)ncnc21 1873660145 BZIKNVDEUTYSQK-UHFFFAOYSA-N 439.563 5.629 30 10 IKEE CCSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1cccc2ccccc12 1874225643 VQKRPMZBBNMJQL-OVVQPSECSA-N 444.604 6.054 30 10 IKEE CCCSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874259422 YTHSTBFILGXWJZ-HZHRSRAPSA-N 439.541 5.102 30 10 IKEE Cn1cccc1/C=N/n1c(Cc2cccc3ccccc23)nnc1SCc1ccccc1 1874269918 WAFPALUBKQLMTG-OVVQPSECSA-N 437.572 5.535 30 10 IKEE Cc1ccc(/C=N/n2c(CCOc3ccccc3)nnc2SCc2cccc(C)c2)cc1 1874345146 YXHREQWRXROJAX-OVVQPSECSA-N 442.588 5.691 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccc(F)cc2)cc1C 1874357634 RLSWBIWEFOPTQI-RWPZCVJISA-N 448.542 5.938 30 10 IKEE CCCSc1nnc(COc2ccccc2)n1/N=C/c1c(OC)ccc2ccccc12 1874385665 BDTSBFPIJPYLLD-PCLIKHOPSA-N 432.549 5.403 30 10 IKEE Cc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccccc2Cl)cc1 1874403479 CDCDNWJWNJMSMJ-WPWMEQJKSA-N 447.007 6.200 30 10 IKEE Cc1ccccc1/C=N/n1c(CC(C)(C)C)nnc1SCc1c(F)cccc1Cl 1874441043 FYGVKISECVCIAH-DHRITJCHSA-N 430.980 6.142 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCCc2ccccc2)nnc1[C@@H]1CCCO1 1874445379 CUEUWQIJRVNEQT-BOJFNEGLSA-N 436.581 5.135 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2sccc2C)c1 1874452963 XGKTZLHRQASCLU-YDZHTSKRSA-N 439.610 5.227 30 10 IKEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(C)cc3C)nnc2C2CCCC2)cc1 1874457957 QAVYFWNOZVDPNG-CVKSISIWSA-N 447.608 5.474 30 10 IKEE Cn1cc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2-c2ccco2)c2ccccc21 1874467449 JQMXIVPNIRCVKG-DHRITJCHSA-N 447.951 5.858 30 10 IKEE COc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2cccc(Cl)c2)cc1O 1874491163 CBUZSWWJAZTYRG-FSJBWODESA-N 430.961 5.019 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(CC)nnc2SCc2ccc(Cl)cc2)cc1 1874527344 KKIYRACRLSUIOG-PCLIKHOPSA-N 443.016 6.237 30 10 IKEE Sc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccccc1OCc1ccccc1 1874566179 NDFIHXAQULXTKM-WGOQTCKBSA-N 448.979 5.467 30 10 IKEE Cc1cccc(COc2ccc(Br)cc2/C=C/C(=O)c2ccc(F)cc2)c1 1874583777 GCWVYOIKQUDDFO-YRNVUSSQSA-N 425.297 6.372 30 10 IKEE COC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1cc(C(C)(C)C)ccc1OC 1874584516 SBLFVZIYPRJONW-OUKQBFOZSA-N 432.516 5.594 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc1OCc1ccccc1F 1874598122 VNBMDBJCCWYPER-JLHYYAGUSA-N 448.534 6.616 30 10 IKEE CCCN(CCC)C(=O)COc1cccc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)c1 1874600345 HNLZVYHNSKCTFS-ZHACJKMWSA-N 443.971 5.581 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OCC(=O)NCc3ccco3)c(Cl)c2)cc1 1874623932 CZVAYBKAMXVSIT-VZUCSPMQSA-N 437.923 5.648 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OCC(=O)Nc1cc(C)ccc1C 1874625767 VHMVVBDAYGYUOZ-NTUHNPAUSA-N 447.506 5.755 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)ccc1OCc1ccc(F)cc1 1874638507 DFFZFUQAJZQAJR-NTEUORMPSA-N 442.486 6.471 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(C)c1 1874669212 ZBZCILWSGDNQLX-VWLOTQADSA-N 433.596 5.294 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cccc(OC(=O)C3(c4ccc5c(c4)OCO5)CC3)c2)c1 1874703528 UKXABTSAVOANLD-CSKARUKUSA-N 440.495 5.565 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OC(=O)Cc1ccc(F)cc1F 1874710369 YPLOUUKYTQSXNC-WTDSWWLTSA-N 426.390 5.157 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC(=O)C1CCCC1 1874711052 QVWIFCGOIVCYHW-ZRDIBKRKSA-N 436.548 6.127 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc4c(c3)OCO4)c2)c(C)c1C 1874711794 IFTKABWDCUPLTH-JXMROGBWSA-N 430.456 5.156 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccc(F)cc2F)c1 1874715752 KKHHVAQLPPEOEO-UKTHLTGXSA-N 434.482 6.686 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)cc2)cc1 1875096705 AVUGSNZDYJKALX-GIJQJNRQSA-N 426.512 6.079 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1[N+](=O)[O-] 1875113455 IKCLXZACSLKBBS-YRNVUSSQSA-N 439.826 5.432 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 1875117316 NYUAKNYLLNKOCH-CAOOACKPSA-N 445.471 5.428 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)[C@H](C)c1ccccc1 1875131463 ZKZSUFPSYANJBR-XSSIKURBSA-N 448.946 6.571 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)c1cccc(C)c1 1875134077 PFVKQBRGNFAYRZ-WYMLVPIESA-N 440.539 6.464 30 10 IKEE CCCCCCC(=O)Oc1c(OCC)cc(/C=C/C(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] 1875136967 PBUVSDWNSSVJOB-NTCAYCPXSA-N 439.508 6.074 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1 1875137594 UWNJSDBYFXLZMA-CXUHLZMHSA-N 431.444 5.499 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2Cl)c(C)c1 1875139537 NCMNHPSRLLTADR-CSKARUKUSA-N 448.946 6.454 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)Cc3cc(Cl)ccc3Cl)cc2)ccc1F 1875141345 ZPOGXDDXCMMAIF-NYYWCZLTSA-N 443.301 6.485 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2ccc(F)cc2)c(Cl)c1 1875142999 DMILKLXEXIIBPZ-UXBLZVDNSA-N 438.882 5.840 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1Cl 1875165755 XQRXAICNRJMOCH-MHWRWJLKSA-N 434.919 7.124 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)Cc1ccccc1F 1875171966 WINSQJPZGMFGDS-PKNBQFBNSA-N 448.490 5.504 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cc(OC)c(OC(=O)C(C)(C)C)c(OC)c2)cc1C 1875186987 OFLSFAQRUODMMT-MDZDMXLPSA-N 426.509 5.177 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cc(Cl)c(OC(=O)C(C)(C)C)c(OC)c1 1875192199 YNFIPYCMGYJPIR-SOFGYWHQSA-N 437.319 5.858 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)c(C)c1 1876846064 MXGBRPJHFSCMLC-OALUTQOASA-N 425.411 5.658 30 10 IKEE C=CCC1(NCc2ccc(OCc3ccccc3)cc2)CCN(C(=O)OC(C)(C)C)CC1 1924554334 STLLWPCUWWBQGX-UHFFFAOYSA-N 436.596 5.701 30 10 IKEE CN(CCN(Cc1ccccc1)c1cc(Br)cc(C#N)c1)Cc1ccccc1 1932082495 WAMUUNZCTMNCBR-UHFFFAOYSA-N 434.381 5.459 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc([C@@H](C#N)N(C[C@H]2CCCO2)C(=O)OC(C)(C)C)c1 1944064952 XQSJMTIUJHITTD-RTBURBONSA-N 431.533 5.014 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1945527366 SPLGIESRWKMHHB-AYOQOUSVSA-N 449.979 5.619 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C)([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C1 2022135695 QXBXQRAWLAPECD-JPYJTQIMSA-N 449.979 5.621 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]([C@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccccc2)C1 2023569574 LNFUZRWGRVXPCE-GGUMNFRJSA-N 429.561 5.404 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)C1(C)C 2035987367 DYSPQJIRHNLFLD-XMMPIXPASA-N 445.560 5.118 30 10 IKEE Cc1ccc([C@H](C2CC2)n2nc(C(C)(C)C)c(C=NO)c2Br)c(F)c1F 2079937875 CHNFWUGYNLGJOD-INIZCTEOSA-N 426.305 5.337 30 10 IKEE CCOc1ccc([C@H](CC)n2nc(C(C)(C)C)c(C#N)c2I)cc1 2080105010 VWFZJAUGECQFDG-INIZCTEOSA-N 437.325 5.055 30 10 IKEE N#Cc1c(-c2ccccc2)nn(-c2cc(C(F)(F)F)cc(Cl)n2)c1Br 2080326740 PFYPEZAURQBZTE-UHFFFAOYSA-N 427.611 5.241 30 10 IKEE Cc1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)sc1Br 2082337819 DDNGHAOHRAIODV-OAHLLOKOSA-N 427.408 6.344 30 10 IKEE N[C@@H](CC#CC1CCCCC1)c1ccc(I)c(Br)c1 2093456508 CPBMKQMOJLPBBP-INIZCTEOSA-N 432.143 5.027 30 10 IKEE C=CCN(CC[C@H](NCCC)c1cccc(Br)c1F)C(=O)OC(C)(C)C 2099293822 XVUXPRYLNQBVON-KRWDZBQOSA-N 429.374 5.442 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)C[C@H]2CC(F)(F)C[C@H]2C1 2160213541 HARNPDUORPJSMU-BDQBCWGISA-N 441.316 5.908 30 10 IKEE CN(Cc1cccc(Nc2cc(Br)cc(F)c2C#N)c1)C(=O)OC(C)(C)C 2163709517 UWUXYCGQAJRTBE-UHFFFAOYSA-N 434.309 5.570 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(CCCNc2ccc(C#N)c(Br)c2)cn1 2169161496 DYGXZWTUUYNMRP-UHFFFAOYSA-N 431.334 5.107 30 10 IKEE CC1(C)OB(c2cnc(Oc3cc(Cl)c(Cl)cc3Cl)c(Cl)c2)OC1(C)C 2172636161 RNDDRMDDZJBNLK-UHFFFAOYSA-N 434.943 5.787 30 10 IKEE CN(c1cc(Br)c(C#N)cc1F)[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 2190460629 PSDUOWBDMZVXHO-QUJKESNLSA-N 429.333 5.280 30 10 IKEE CC(C)(C)OC(=O)N1CCc2sccc2[C@H]1CNc1cccc(Br)c1C#N 2194005964 NQSXLMGUQYADKJ-QGZVFWFLSA-N 448.386 5.329 30 10 IKEE N#C[C@@](CN(Cc1ccccc1)CC1CCCCC1)(NC1CC1)C1(Br)CC1 2206656991 HGEHKOVKKFMNGZ-QHCPKHFHSA-N 430.434 5.011 30 10 IKEE C=CCCCCCCCCC(=O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2207415199 RJPOTULBFKPWBA-UHFFFAOYSA-N 438.406 7.286 30 10 IKEE CP(C)(=O)C#CC(=O)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2218507803 WXIYXNKHPKNPFH-SANMLTNESA-N 448.455 5.031 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C=O)(Cc2c(Br)sc3ccccc23)C1 2224706231 KJCMSEIGEZZHBF-HXUWFJFHSA-N 438.387 5.423 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)[C@H](CC=C(C)C)NC(=O)OC(C)(C)C 2235723705 LLXXGJWXNPDJJY-PMACEKPBSA-N 435.406 5.028 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Cl)c1cc(Br)sc1Br 2295224422 NLCNQZUJUJEKQO-ZDUSSCGKSA-N 433.596 5.629 30 10 IKEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2cccc(F)c2)cc1 2296091581 VEXIJUURWJQFRF-NRFANRHFSA-N 444.487 5.370 30 10 IKEE Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(Cl)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 2296132807 LHBNCNIDBBNVIY-OAQYLSRUSA-N 448.862 5.183 30 10 IKEE Cc1ccc(-n2cc(C=NNC(=S)Nc3ccccc3)c(-c3ccc(Cl)cc3)n2)cc1 2296404948 DRGHXTCQVZVSBR-UHFFFAOYSA-N 445.979 5.822 30 10 IKEE Cc1ccc(C(O)=C2C(=O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccccc2Cl)cc1 2296924152 XADIILSENQXNOH-HSZRJFAPSA-N 431.919 5.313 30 10 IKEE Cc1nc(N2C(=O)C(=O)C(=C(O)c3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)sc1C 2297056630 MXMUOWKXALQQEG-NRFANRHFSA-N 432.545 5.510 30 10 IKEE O=C(C=Cc1ccc2ncccc2c1)c1c(O)nc2ccc([N+](=O)[O-])cc2c1-c1ccccc1 2297330008 FUCSAZATLAVQMN-UHFFFAOYSA-N 447.450 5.960 30 10 IKEE C=CCOc1c(Cl)cc(C=C2N=C(c3cccc4ccccc34)OC2=O)cc1OCC 2297452948 VEOFHEQIAKDPSC-UHFFFAOYSA-N 433.891 5.801 30 10 IKEE C=CCOC(=O)C=Cc1cc(Cl)c(OCc2ccccc2F)c(Br)c1 2314019615 SEHPSBIDGCSNGO-UHFFFAOYSA-N 425.681 5.563 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccccc2Cl)c1)c1ccc(-c2ccccc2)cc1 2314429278 CNFVQGDZCFQLFG-UHFFFAOYSA-N 438.910 7.122 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2ccc(C(=O)C=Cc3cccc([N+](=O)[O-])c3)cc2)cc1 2314429349 FFEZEXFDSSJJDG-UHFFFAOYSA-N 429.472 6.008 30 10 IKEE COc1ccc(C(C)=C2SC(=Nc3ccncc3Cl)N(C3CCCCC3)C2=O)cc1 2314542438 LJOYTUKNVXTGGW-UHFFFAOYSA-N 441.984 6.070 30 10 IKEE CCOc1cc(C=NNc2nc3ccccc3s2)ccc1OCc1ccccc1Cl 2318415585 REXOCEMJDCCSSH-UHFFFAOYSA-N 437.952 6.373 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@H](C#N)[C@]1(C)CCCCN1C(=O)OC(C)(C)C 2318946299 IGPRLFXNMAINKX-NLFFAJNJSA-N 449.636 6.018 30 10 IKEE Sc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc(Cl)cc1Cl 2322203192 JMZMYBFPIIUTAZ-UHFFFAOYSA-N 427.360 5.694 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccccc1OC 2322484034 FJJDTZKSNIHSII-UHFFFAOYSA-N 449.934 5.825 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1c(F)cccc1Cl)c1cccc(Cl)c1 2322525046 OBEDGYULYKLYTO-UHFFFAOYSA-N 435.709 7.261 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(Cl)c(Cl)c2)C3=O)cc1 2322680211 QKJIWBADSOPVCR-UHFFFAOYSA-N 439.294 6.446 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccccc2OCc2nc(O)c3ccccc3n2)cc1C 2322981361 AEHOWWLUCNXCRE-UHFFFAOYSA-N 440.499 5.436 30 10 IKEE CC(C)c1ccc(C=C2Oc3cc(OC(=O)C(Cl)(Cl)Cl)ccc3C2=O)cc1 2323034328 OOKYVJIJZRQBFW-UHFFFAOYSA-N 425.695 5.702 30 10 IKEE O=C(C=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccc2c(c1)CCCC2 2323054924 OUICXHKLRZLQMI-UHFFFAOYSA-N 437.366 7.347 30 10 IKEE O=C1C(=Cc2cccnc2)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc21 2323203414 GNDFYDANPMKLBK-UHFFFAOYSA-N 433.463 5.435 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1C 2323561607 RXEQBELYNDMOAS-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)c3cc(Cl)ccc3Cl)ccc2C1=O 2323581273 NNSXIKRFCSWMQC-UHFFFAOYSA-N 425.267 6.137 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2OC)ccc1OCc1ccc(Cl)cc1Cl 2323718996 AQWNDECDGNFXEH-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE COc1ccc(-c2csc(NN=Cc3cccc(OCc4ccccc4)c3)n2)c(OC)c1 2323842751 LZFPSPJDTJPDMM-UHFFFAOYSA-N 445.544 5.852 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Cl)c1OCc1cccc(Cl)c1 2323937416 GQBOWQJFMBRTDF-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE Cc1cc(O)c(CN2C[C@H](C)C[C@@H](C)C2)c2c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O2 2324055173 MRQWJPIUQKHHFZ-ZIAGYGMSSA-N 446.374 6.102 30 10 IKEE COc1ccc(C=C2Oc3cc(OCCCOc4ccccc4)cc(C)c3C2=O)cc1OC 2324234575 OVRMZOIYTZZCMP-UHFFFAOYSA-N 446.499 5.476 30 10 IKEE Cc1cccc(OCCOc2ccc3c(c2C)OC(=Cc2ccc(N(C)C)cc2)C3=O)c1 2324537084 PYDKKNHESODTKD-UHFFFAOYSA-N 429.516 5.443 30 10 IKEE Cc1ccc(OCCCOc2ccc3c(c2C)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2324547690 SWDCYEXIXLDJOK-UHFFFAOYSA-N 434.919 6.421 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OCC(=O)Nc2ccc(C)c(C)c2)cc1 2324693844 KAIDRIMMYXLQAC-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCCOC(=O)[C@H](CC)Oc1cc(C)c2c(c1)OC(=Cc1cn(C)c3ccccc13)C2=O 2325079352 FKKXGWJZNYYXOP-NRFANRHFSA-N 433.504 5.214 30 10 IKEE COc1ccccc1C=C1Oc2cc(OC(c3ccccc3)c3ccccc3)cc(C)c2C1=O 2325216188 NQGCBJLXSOAYEO-UHFFFAOYSA-N 448.518 6.788 30 10 IKEE Cc1cc(OCc2ccccc2C#N)cc2c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O2 2325357842 AQHPZPDVRMRKSA-UHFFFAOYSA-N 436.294 6.369 30 10 IKEE Cc1c(OCCC(=O)Nc2ccccc2)ccc2c1OC(=CC=Cc1ccccc1)C2=O 2325486002 WOIFJVWONINYGI-UHFFFAOYSA-N 425.484 5.575 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccc(N(CC)CC)cc1 2325509544 NNKODIBPHCIKPR-UHFFFAOYSA-N 435.641 5.950 30 10 IKEE CCc1ccc(CCC(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)CCCC4)c2)cc1 2325702034 FIAFURUCPAKZEN-UHFFFAOYSA-N 438.567 6.562 30 10 IKEE CCc1cccc(CC)c1NC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1C)C2=O 2325718613 KCICRDCNIDZHLM-UHFFFAOYSA-N 441.527 5.754 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4cc(C)cc(C)c4)cc(C)c3C2=O)cc1 2325721685 WLYABQOYYLKWRR-UHFFFAOYSA-N 427.500 5.554 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(Cl)cc3Cl)c2)c(C)c1 2325736454 DNNGDIJROFLUPN-UHFFFAOYSA-N 425.311 6.726 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C)c(C)c4)ccc3C2=O)cc1 2325738467 MWDXFFIVDYBVSW-UHFFFAOYSA-N 443.499 5.336 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1OC(=O)c1ccc(C)cc1 2325755074 PDZPQWWBNNVPQE-UHFFFAOYSA-N 430.500 5.744 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2)c(C)c1 2325764865 ZAOJNWCVVLDPEN-UHFFFAOYSA-N 429.472 5.944 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2cccc(OC(=O)c3ccccc3)c2)cc1Cl 2325766923 NGLJLFGWEYALHT-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE CCCSc1nnc(CCc2ccc(OCC)c(OC)c2)n1N=Cc1ccccc1C 2325894341 CKEQPDLGIHEYTE-UHFFFAOYSA-N 438.597 5.163 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1cc(Cl)ccc1O 2326538157 SUCJTMYPGDNALZ-UHFFFAOYSA-N 449.363 5.338 30 10 IKEE CSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc(C(C)(C)C)cc1 2326561565 DETJTHALZGTKNB-UHFFFAOYSA-N 428.605 6.118 30 10 IKEE C=C(C)CSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1c[nH]c2ccccc12 2327272419 ZAFPQRCKTSXEDH-UHFFFAOYSA-N 445.592 5.814 30 10 IKEE CCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1cc(OC)ccc1OC 2327739357 ZXUSZHXBQDQBMA-UHFFFAOYSA-N 432.549 5.034 30 10 IKEE C(=Nn1c(Cc2cccc3ccccc23)nnc1SCCc1ccccc1)c1ccccn1 2327754305 IICRZMDRFSQRKR-UHFFFAOYSA-N 449.583 5.634 30 10 IKEE CCCSc1nnc(CCc2cccc(OC)c2)n1N=Cc1c(F)cccc1Cl 2328653629 PZQVMCXETQYVMD-UHFFFAOYSA-N 432.952 5.249 30 10 IKEE Fc1ccccc1C=Nn1c(COCc2ccccc2)nnc1SCCc1ccccc1 2329348972 DCCMAOPTZUHQQY-UHFFFAOYSA-N 446.551 5.351 30 10 IKEE CCCSc1nnc(Cc2ccccc2F)n1N=Cc1ccc(OCC)c(OCC)c1 2329763843 NFYNDVDRUKIPRT-UHFFFAOYSA-N 442.560 5.190 30 10 IKEE CCc1ccc(C=Nn2c(COc3ccccc3)nnc2SCCc2ccccc2)cc1 2329919506 ZKIOSWIGEZGBEB-UHFFFAOYSA-N 442.588 5.637 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2N=Cc2ccccc2)cc1 2329966345 KIRFPJFBXUMHOP-UHFFFAOYSA-N 443.532 5.260 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCCc2ccccc2)n1N=Cc1ccc(O)cc1O 2330115116 FXNYGBQWJDMEBJ-GOSISDBHSA-N 444.560 5.058 30 10 IKEE COc1ccc(OC)c(C=Nn2c(SCc3cccc(C)c3)nnc2-c2ccccc2)c1 2330645952 XOPMGMSMWHURHH-UHFFFAOYSA-N 444.560 5.445 30 10 IKEE Fc1ccc(CSc2nnc([C@@H]3CCCO3)n2N=Cc2c(F)cccc2Cl)cc1 2330910604 BDTXAGGVWXXBOQ-SFHVURJKSA-N 434.899 5.236 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cc(Cl)ccc2Cl)cc1)c1ccc(F)cc1F 2331084453 DOXPZGLREJHNPN-UHFFFAOYSA-N 433.237 6.387 30 10 IKEE Fc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C(F)(F)F)c(F)c1 2331138473 UOSXOPKDYBUODU-UHFFFAOYSA-N 432.805 5.403 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(Cl)c3)c(Cl)c2)cc1 2331195474 BOUNDFQMHLBXQM-UHFFFAOYSA-N 441.310 6.507 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3F)c([N+](=O)[O-])c2)cc1 2331305477 HPYCBUWMRXGDOP-UHFFFAOYSA-N 449.434 5.638 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 2331331030 QPLCCTZJYNFMLI-UHFFFAOYSA-N 444.571 6.330 30 10 IKEE CCCCc1nnc(SCC)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2331331157 XYTBNFLLFAHUOG-UHFFFAOYSA-N 428.989 5.847 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2-c2ccccc2)cc1)c1ccc2c(c1)OCO2 2331434216 JXXUQALKCLDCQZ-UHFFFAOYSA-N 448.474 6.198 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C)cc(C)c3OC)cc2OC)cc1 2331673554 SSWNVUHBYJCNHP-UHFFFAOYSA-N 444.527 5.998 30 10 IKEE CC(C)c1nnc(SCc2ccccc2)n1N=Cc1cc(Br)ccc1F 2331698207 OIPJLQQNYNAEII-UHFFFAOYSA-N 433.350 5.478 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCC(=O)N[C@H](C)c3ccccc3)nnc2C(C)C)cc1 2331709474 YCDXEHTXJASYHF-LJQANCHMSA-N 449.624 5.377 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(C)cc(Br)c1OC 2365215918 OYTWVSDLLMPSTN-QZTJIDSGSA-N 441.410 5.276 30 10 IKEE Cc1cc(CNc2ccc(Cl)cc2Br)cc(B2OC(C)(C)C(C)(C)O2)c1 2369677866 UGUYNDJPGGAXPD-UHFFFAOYSA-N 436.586 5.322 30 10 IKEE Cc1cc(Br)c(OCc2ccc(CC#N)cc2)cc1NC(=O)OC(C)(C)C 2370431064 HZTBBEAHXUDVLV-UHFFFAOYSA-N 431.330 5.750 30 10 IKEE CCCCCSc1nc2n(n1)[C@@H](c1ccccc1OC)C1=C(CC(C)(C)CC1=O)N2 20850345 GOYXPUDPZNLWIK-FQEVSTJZSA-N 426.586 5.227 30 10 IKEE C[C@H](C#N)Sc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccc(F)c(Cl)c1 23542438 GXCNWVSLCUJLKI-SECBINFHSA-N 427.719 6.038 30 10 IKEE O=C(Nc1ccccc1)[C@H]1CC(=O)N(CCc2ccccc2)/C(=N/c2ccc(F)cc2)S1 27522618 XPTLCDXCXHBXQP-AOKXBXCXSA-N 447.535 5.029 30 10 IKEE Cc1cccc(N/C(=N\C(=O)c2ccccc2Cl)NCCc2c[nH]c3ccccc23)c1 32943167 YRDBUFZXLBCHJZ-UHFFFAOYSA-N 430.939 5.570 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(CC)cc2)c1 33422156 WNHKLFPAHOKCPU-QHCPKHFHSA-N 431.488 5.019 30 10 IKEE O=C(/C=C\c1cc2ccccc2o1)c1cc(Br)ccc1OCc1ccccc1 33763621 DHFSLMMZWIQXHD-QXMHVHEDSA-N 433.301 6.670 30 10 IKEE C=CCC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)[C@H](C)CC 36316218 VGRZRQZVQQUTOX-FYYLOGMGSA-N 433.596 5.807 30 10 IKEE N#Cc1c(NC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)sc2c1CCCC2 61432196 KGSJZQUSFVPTSU-UHFFFAOYSA-N 449.601 5.316 30 10 IKEE O=S1(=O)CC/C(=N\Nc2c(Cl)cc(C(F)(F)F)cc2Cl)c2ccsc21 98023371 NWJZVZXSCXCIIX-RGVLZGJSSA-N 429.272 5.067 30 10 IKEE CCCCCCCOc1cccc(NCC(=O)Nc2ccc(NC(=O)C(C)C)cc2)c1 100090155 JUDZSKGOVATWOG-UHFFFAOYSA-N 425.573 5.681 30 10 IKEE C=CCn1c(=S)[nH]c2cc(C(=O)Nc3nc(-c4ccc(CC)cc4)cs3)ccc2c1=O 105344750 ZUEKUCTUJPENMX-UHFFFAOYSA-N 448.573 5.183 30 10 IKEE CCCCNC(=O)CSc1nc2ccc(N/C=C3\C(=O)C=Cc4ccccc43)cc2s1 135625612 FEFUSPQTDMZCJI-RGEXLXHISA-N 449.601 5.354 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\Nc2cnn(C)c(=O)c2Cl)cc1OC 169894536 QRYBFYOSKDDGKK-IWIPYMOSSA-N 434.968 5.018 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccc(O)cc2)cc1 169959347 HWNCTWWVZSTTRA-AREMUKBSSA-N 449.506 5.891 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2c[nH]c3ccccc23)c1 170078268 AQFDDAHFPZKAMQ-XMMPIXPASA-N 428.532 5.696 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@H]1c1ccccc1OC 170125117 IAKMESKLBYSYKC-HXUWFJFHSA-N 443.927 5.044 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@H]1c1ccc(O)cc1 170136725 ABCOQPBPXKLNOF-HSZRJFAPSA-N 437.536 5.211 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2cccs2)cc1 170153937 VPDFSUNSAXAJMG-QFIPXVFZSA-N 449.528 5.328 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1cccs1)c1ccc2ccccc2c1 170162941 BHIWQQVEQGRKRJ-JOCHJYFZSA-N 426.497 5.075 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2cccs2)cc1 170166998 IKSMZCZQOVQJLW-OAQYLSRUSA-N 437.492 5.064 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1cccnc1)c1cccc2ccccc12 170188925 MNVBBDZTNHMGTI-QHCPKHFHSA-N 440.886 5.671 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCC)cc1 170215731 RFYCJAPQXPAGMA-HSZRJFAPSA-N 437.536 5.251 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccccc2)c1C 170225897 UKDXPGBBRBHLAQ-VWLOTQADSA-N 441.527 5.874 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccccc2)cc1 170227271 DLNFGMHZRMKFRN-XDHUDOTRSA-N 425.484 5.101 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1c1ccccc1O 170271904 OFQOUBZPONJIJQ-VWLOTQADSA-N 435.479 5.637 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccco2)cc1C 170282088 KTVRUZDFCXRTIP-OAQYLSRUSA-N 439.414 5.048 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2ccco2)c1 170282777 JRYMGMKJRWFYTK-QHCPKHFHSA-N 429.472 5.004 30 10 IKEE Cc1nc(-c2ccccc2)sc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccco1 170292185 MUQWWSMWOVQZSF-IBGZPJMESA-N 446.484 5.083 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccc(C)o2)cc1C 170300538 XQRJPNCILJDHEA-QHCPKHFHSA-N 431.488 5.305 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2c2cccc(Cl)c2)o1 170303436 ANYVZFCPOOVLRL-HSZRJFAPSA-N 447.918 5.903 30 10 IKEE CSc1nc(Nc2ccc(Oc3ccccc3)cc2)c(C#N)c(-c2cccc(Cl)c2)n1 243930095 RTXUQJXBLZCLAI-UHFFFAOYSA-N 444.947 6.926 30 10 IKEE Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(N=Cc3ccc(Cl)cc3Cl)cc1)N2 254372393 JAHNEERZSBIKFN-XLGIIRLISA-N 433.382 7.879 30 10 IKEE CN=c1scc(-c2ccc(-c3ccccc3)cc2)n1N=Cc1cccc(C(F)(F)F)c1 254451662 KUBXWHDGDSXPMS-UHFFFAOYSA-N 437.490 6.315 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(/C=C/C(=O)Cc2cccc(F)c2Br)cc1 405941639 UMHGNVGNDXKLEN-FMIVXFBMSA-N 434.305 5.760 30 10 IKEE FC(F)(F)Sc1ccc(C(F)(F)F)c(I)c1C(F)(F)F 514260078 FWZOXAJTQLHOMS-UHFFFAOYSA-N 440.068 5.941 30 10 IKEE CCCOc1ccc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526517012 REOBQMVKEAWBJR-DEOSSOPVSA-N 444.918 6.058 30 10 IKEE CCN(C1=C(Sc2ccc(C)cc2)C(=O)N(c2ccc(C#N)cc2)C1=O)c1ccccc1 526685148 MKCZZPWBKJLJSB-UHFFFAOYSA-N 439.540 5.270 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1/N=C\c1ccc(OCCC)c(OC)c1 526799561 GRBKKUNPYGJPEA-UQQQWYQISA-N 438.597 5.593 30 10 IKEE O=[N+]([O-])c1ccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccccc2)cc1 526799763 JEMLEVUITLORBF-UQQQWYQISA-N 443.532 5.146 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1cccc(Br)c1 526803386 XICOJXICTUXNNA-QRVIBDJDSA-N 447.377 5.697 30 10 IKEE CCOc1c(Cl)cc(/C=N\n2cnnc2SCc2cc(C)ccc2C)cc1Cl 526818699 WHAPDOCHANVCHI-VROXFSQNSA-N 435.380 5.775 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@H](C#N)c1cccc(Br)c1Cl 706499398 LKYNLXLKDTWPLR-QGZVFWFLSA-N 435.749 6.104 30 10 IKEE CN(c1ccccc1)c1ccc(C=Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 1084569559 XGQHPCAAZBLXEF-UHFFFAOYSA-N 445.591 7.996 30 10 IKEE CCCCCCCCCCCCN1C(=O)[C@@H]2c3cc4c(cc3C[C@H](C)[C@H]2C1=O)OCO4 1616046657 NHUYNJGLBWETBM-NTUVXCKYSA-N 427.585 5.597 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=Nc1nc(C)cs1 1772739748 UIAZUMWGEDRCNB-DSBLIHRRSA-N 441.965 6.155 30 10 IKEE Cc1cccc(NC(=O)c2oc3c(c2C)C(=NNc2cccc(C(F)(F)F)c2)CCC3)c1 1772751141 WBXQHEHLSVBARQ-UHFFFAOYSA-N 441.453 6.320 30 10 IKEE CC[C@@H](Oc1ccccc1/C=C1/SC(=Nc2ccc(C)cc2O)N(CC)C1=O)C(C)=O 1772762163 BTMPEGZVTWFTBJ-FAZPEKFSSA-N 438.549 5.071 30 10 IKEE CCc1ccc(OCC(=O)Nc2ccc(Cl)c(NC(=O)c3cccc(C#N)c3)c2)cc1 1860451062 YUUQQTKRPYOJCB-UHFFFAOYSA-N 433.895 5.044 30 10 IKEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)c1cccc(Br)c1 1861338627 XVWUNHMAHRAGNI-UHFFFAOYSA-N 425.411 5.214 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@H]1c1ccc(N(CC)CC)cc1 1862394145 JIBPJNAKMFGJPM-RUZDIDTESA-N 446.591 5.640 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2ccc(OCCC)cc2)cc1 1862397398 LHGJTEDDDTYHKH-KBMIEXCESA-N 449.591 6.195 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(F)cc2F)cc1 1862476977 HDNWQWYQLWXFGM-HSZRJFAPSA-N 433.454 5.094 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 1862477635 OGLGKQIHXIUONN-UQBPGWFLSA-N 440.543 5.401 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)cc1OC 1862481253 ARFHJAHNTCOKKS-VWQFJMCTSA-N 449.547 5.169 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862486956 OPWVPWKRTAWUTO-NBGIEHNGSA-N 425.528 5.951 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2ccccc2C)c1 1862489835 IPBGEHDUKWUPIG-QHCPKHFHSA-N 431.557 5.494 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc2c(c1)CCCN2C 1862539193 VBWKVYASQDPCAE-XMMPIXPASA-N 432.564 5.010 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(OC)cc1 1862548788 ZXLNWKGUSNALFL-RUZDIDTESA-N 447.575 5.733 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2cc(C)ccc2C)cc1 1862556512 YJNPBGCXIFSCEM-RUZDIDTESA-N 440.543 5.227 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)cc1 1862563327 AOXLJSWANKOTHU-OUPRXKBMSA-N 448.563 5.215 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862597839 NAMYNIFSEZNPOL-IBGZPJMESA-N 434.319 5.468 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCCOC(C)C)c1 1862613367 GWMRBFINXJXRNN-XMMPIXPASA-N 449.591 5.686 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(OCC)c(OC)c1 1862624495 XXMXWWNAEBAEFA-HSZRJFAPSA-N 449.547 5.156 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)OCO3)=C(O)C(=O)N1[C@H](C)c1ccccc1 1862625794 NTKBYBDXQXSSQM-OSPHWJPCSA-N 441.483 5.063 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccc(Cl)c1 1862660162 FZOGQGSRXIRFME-HSZRJFAPSA-N 439.983 6.622 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(C(C)C)cc2)=C(O)C(=O)N1Cc1ccccc1 1862661652 XESDAEFOWASKST-RUZDIDTESA-N 425.528 5.897 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1cccc(Cl)c1)c1ccc(F)cc1 1862675970 XTGPMRJVPUUTRM-NRFANRHFSA-N 427.903 5.780 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2ccccc2C)cc1 1862686914 FMJSEAFQBWCQGA-RUZDIDTESA-N 441.527 5.399 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862703276 SNQKWWMLRTURCU-RUZDIDTESA-N 447.575 5.949 30 10 IKEE CCCCCCCCCCCC(=O)NCc1ccc2n1CCN(C(=O)OC(C)(C)C)[C@H]2C 1865984804 KIVVCAOTQNBNDB-NRFANRHFSA-N 447.664 6.337 30 10 IKEE CC(C)[C@@H]1c2[nH]cnc2CCN1c1cc(Nc2ccccc2C#N)nc(Cc2ccccc2)n1 1868216131 RYUMZYVYPCTQQX-HHHXNRCGSA-N 449.562 5.166 30 10 IKEE COc1ccc2c(c1)CCN(c1cc(Nc3cccc(C#N)c3)nc(-c3ccccc3)n1)[C@H]2C 1868354751 LUHIKAQDQYHEKN-IBGZPJMESA-N 447.542 5.891 30 10 IKEE CCCc1nc(Nc2ccccc2C#N)cc(N2CCC(Oc3ccc(OC)cc3)CC2)n1 1868398923 UICMNCZEKRTNAG-UHFFFAOYSA-N 443.551 5.101 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCCC)c(=O)cc1CSc1ccccn1 1870227641 QWYUBYOJSAIRRZ-UHFFFAOYSA-N 446.613 5.228 30 10 IKEE C=CCOc1cn(CCc2c[nH]c3ccccc23)c(CNc2ccc(OCC)cc2)cc1=O 1870808929 HLVPDYVMAPTTJX-UHFFFAOYSA-N 443.547 5.148 30 10 IKEE CCCCCCCOc1cn(CCc2cnc[nH]2)c(CNc2ccc(CC)cc2)cc1=O 1870836171 HHKVNEUFGPBUBN-UHFFFAOYSA-N 436.600 5.338 30 10 IKEE CCCCCCCOc1cn(CCCOC(C)C)c(CNc2cc(C)cc(C)c2)cc1=O 1870837730 VZRGLDPMCRAQAY-UHFFFAOYSA-N 442.644 6.242 30 10 IKEE CCCCCCCCCCn1cc(OC)c(=O)cc1CNc1ccc(N2CCCC2)cc1 1871000434 UDRMBDDYKHTEAD-UHFFFAOYSA-N 439.644 6.210 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc4c3CN(C3CCCCCC3)CO4)C2=O)cc1OC 1871347511 DHUMMFBPEOYRLS-OYKKKHCWSA-N 435.520 5.195 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc4c3CN(C3CCCCCCC3)CO4)C2=O)cc1 1871349012 NFFUWUGFAGDCMD-XYGWBWBKSA-N 433.548 5.966 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3cc(OC(=O)C(Cl)(Cl)Cl)ccc3C2=O)cc1 1871363269 OOKYVJIJZRQBFW-MFOYZWKCSA-N 425.695 5.702 30 10 IKEE Cc1cc(OC(=O)C(c2ccccc2)c2ccccc2)cc2c1C(=O)/C(=C/c1ccco1)O2 1871371831 LRKDUUKRTKGZHC-JLPGSUDCSA-N 436.463 5.942 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4cccc([N+](=O)[O-])c4C)c3C)C2=O)cc1 1871372536 XBLZFSQMKBZZBS-XKZIYDEJSA-N 445.427 5.056 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OCCCc4ccccc4)c3C)C2=O)c1OC 1871399967 YFFDSFYYOBRJKW-ULJHMMPZSA-N 430.500 5.640 30 10 IKEE COc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccc(F)cc4)cc(C)c3C2=O)cc1 1871401059 SJFMUWIFWLDOGA-YOBACFSGSA-N 447.462 5.165 30 10 IKEE Cc1ccccc1OCCCCOc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)C2=O 1871404648 NBSIXELWGUHULP-YSMPRRRNSA-N 444.483 5.578 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2cccs2)C3=O)c1 1871412484 SRLGATWWQQKBFU-VYZAVGSRSA-N 433.529 5.696 30 10 IKEE Cc1c(OCc2ccc(C(=O)OC(C)C)o2)ccc2c1O/C(=C\c1ccc(F)cc1)C2=O 1871439370 VUPZEUMNFWPNDP-UUYOSTAYSA-N 436.435 5.488 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(CC)cc4)ccc3C2=O)cc1 1871454054 GMBRJUFIIMLUOL-MYYYXRDXSA-N 427.500 5.445 30 10 IKEE CCCCCCCCCCNC(=O)c1cccc(COc2cc(Cl)ccc2Cl)c1 1872829544 AIHNNOPJVWVWGO-UHFFFAOYSA-N 436.423 7.443 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cccc(N(C)C)c2)=C(c2ccccc2)C1=O 1873413281 VFCHAVZGWQRRNC-UHFFFAOYSA-N 447.623 6.085 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(-c3ccccc3C)cc2)cc2c(NCCC)ncnc21 1873601310 SVVYXXUXRDNRKX-UHFFFAOYSA-N 425.536 5.667 30 10 IKEE C(=N/n1c(CC23CC4CC(CC(C4)C2)C3)nnc1SCCc1ccccc1)\c1ccc[nH]1 1874244883 PRESZAJKFMKCRB-MTDXEUNCSA-N 445.636 5.582 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccc(Cl)cc3)n2/N=C/c2ccco2)cc1 1874281466 KQAAWCOYAANIKY-MFKUBSTISA-N 436.968 5.793 30 10 IKEE CCCOc1cccc(/C=N/n2c(CCCOc3ccccc3)nnc2SCCC)c1 1874317731 IUOZNNLEDPVROC-NCELDCMTSA-N 438.597 5.463 30 10 IKEE CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(OCc2ccccc2C)cc1 1874365040 IHNGUQFURBUBJF-CVKSISIWSA-N 448.979 6.090 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc[nH]1 1874376800 PDJVSKPCJVRQKD-DHRITJCHSA-N 425.920 5.164 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(CC(C)(C)C)n1/N=C/c1ccc(C)cc1 1874437057 JAWRABGFXZUWHZ-WGOQTCKBSA-N 449.624 5.351 30 10 IKEE Cc1ccc(CSc2nnc(C(F)(F)F)n2/N=C/c2cc(Cl)ccc2O)cc1 1874458939 NNYWZPBGGUKSBZ-NUGSKGIGSA-N 426.851 5.139 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2-c2ccco2)cc1 1874465566 PJMCDCXSAVTQKG-MFKUBSTISA-N 436.512 5.641 30 10 IKEE CCCOc1cccc(/C=N/n2c(COC)nnc2SCc2cccc(Cl)c2)c1 1874505999 JKRDFONHZYIZRP-YDZHTSKRSA-N 430.961 5.041 30 10 IKEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccc(Cl)cc1Cl 1874533334 DFXZZLJLGXXEAR-GZIVZEMBSA-N 446.190 6.375 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(S)nnc2COc2ccc(Cl)cc2)cc1 1874565455 AUWPZEUDOHQADC-OEAKJJBVSA-N 430.961 5.250 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(S)nnc2COc2c(C)ccc(C)c2C)cc1 1874566881 SHIDPYVFBFPBLK-MFKUBSTISA-N 438.597 5.522 30 10 IKEE CCCCOc1ccc(/C=N/n2c(S)nnc2CCCOc2ccc(CC)cc2)cc1 1874567957 ABRMMUNRXCPQGO-XIEYBQDHSA-N 438.597 5.202 30 10 IKEE CCc1ccc(NC(=O)COc2c(/C=C/C(=O)c3cccc(OC)c3)cccc2OC)cc1 1874573218 BLGWOJZIEKZUJF-DTQAZKPQSA-N 445.515 5.180 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c1 1874575263 DRFQQLGHJHMKDO-SDNWHVSQSA-N 430.460 5.125 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccccc2)c1OCC(=O)Nc1cc(C)cc(C)c1 1874578417 MVAQCGDXXXHPFS-MDZDMXLPSA-N 449.934 5.879 30 10 IKEE O=C(/C=C/c1cc(Br)ccc1OCc1ccccc1Cl)c1ccccc1 1874578654 ZPDNIXSZILPUSJ-ZRDIBKRKSA-N 427.725 6.578 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(C)ccc2C)c1OCC(=O)N[C@H](C)c1ccccc1 1874580629 XXFRPOBSGOKBBS-UFBKIKKCSA-N 443.543 5.464 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccccc2Cl)cc1F 1874582172 AAHNWAFXTBVITA-RMKNXTFCSA-N 431.290 6.616 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(F)c(F)c2)c1OCc1cccc(F)c1 1874585474 VGAFWZJUJXVKMC-SOFGYWHQSA-N 432.825 6.241 30 10 IKEE C[C@H](NC(=O)COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1)c1ccccc1 1874602565 SJLBFPIZCPGQPA-DOIQENQNSA-N 435.523 5.992 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2ccc(OCc3ccccc3Cl)cc2)cc1Cl 1874631130 LUSIXGWAGYADNZ-FMIVXFBMSA-N 443.326 6.486 30 10 IKEE COc1ccc(OCCCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)cc3)c2)cc1 1874697764 OLYJVJJEKKTSNQ-CAOOACKPSA-N 446.499 5.365 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3cc(F)ccc3F)c2)cc1 1874701410 RJHNKEOGKJNPEE-AWNIVKPZSA-N 438.426 5.244 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2c(F)cccc2Cl)c1)c1ccc(Cl)c(Cl)c1 1874703112 ZIJOMEZIQBWBNO-JXMROGBWSA-N 449.692 6.901 30 10 IKEE COc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3cc(C)ccc3OC)ccc2OC)cc1 1874703977 QRPPGELGODTWPA-WUXMJOGZSA-N 432.472 5.136 30 10 IKEE Cc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4ccccc4c3)cc2[N+](=O)[O-])c1 1875095596 XPUSVCRHMMTGKH-UKTHLTGXSA-N 437.451 6.172 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 1875117187 CNJNYOUGOYLCSH-WUXMJOGZSA-N 438.436 5.275 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc3c(c2)OCO3)c(Cl)c1)c1cccc(Cl)c1 1875121237 GMLNZDRGVHPNHQ-QPJJXVBHSA-N 441.266 5.837 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccccc3)c(OCC)c2)cc1 1875130835 UQZPHDBFMYVRPY-MHWRWJLKSA-N 446.499 5.365 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc(Br)c1OC(C)=O 1875132540 HKHOUAUPKWOKDX-ZZXKWVIFSA-N 444.108 5.586 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)C1CCCC1 1875156188 NUUTWQSRAJBKPZ-MDWZMJQESA-N 426.940 6.464 30 10 IKEE CC(C)(C)c1ccc(NC(=O)C2CCN(c3oc(-c4cccs4)nc3C#N)CC2)cc1 1890454856 SWHRVNCDSWJNBI-UHFFFAOYSA-N 434.565 5.427 30 10 IKEE N#CC1(c2ccccc2)CCN(C(=O)c2cc(-c3ccc(-c4ccccc4)cc3)on2)CC1 1891825833 OOPNSNLVRDKLNG-UHFFFAOYSA-N 433.511 5.706 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 1922086334 PKDFFBCQKMDORK-SGNDLWITSA-N 430.633 5.459 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C)NCCC 1922114295 XHOUOEUJDHQIEX-PKTZIBPZSA-N 430.633 5.553 30 10 IKEE Cc1ccc(-c2csc3ncnc(N/N=C/c4c(C)nn(-c5ccccc5)c4C)c23)cc1 2033812778 KCPOUOGTUWHVPU-XODNFHPESA-N 438.560 5.915 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CC(C)(C)[C@H]1OCc1ccccc1 2038724284 ITHVKMFFIVIHCS-GJZUVCINSA-N 436.552 5.714 30 10 IKEE Cc1cc(Br)sc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 2039289537 DXPWGPCGPGTLBR-CQSZACIVSA-N 441.778 6.479 30 10 IKEE CCCOc1ccc([C@H](n2nc(C3CC3)c(C=NO)c2Br)C2(C)CC2)cc1 2080059973 DKTSDMZKYXDCLX-IBGZPJMESA-N 432.362 5.509 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Br)c(Cl)cc1C 2082756354 RBJYWABHMXOCRZ-CQSZACIVSA-N 431.758 5.209 30 10 IKEE N#Cc1cc(Br)ccc1OCc1cc(Br)ccc1Br 2118522280 MXOPMYBNSPPFSS-UHFFFAOYSA-N 445.936 5.425 30 10 IKEE CO[C@@H]1CC(C)(C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2162039045 OAGCLKMNHFYVRM-UTKZUKDTSA-N 437.378 5.678 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](CNc2cc(Br)cc(C#N)c2)C(F)(F)CC1 2162283600 COQFQMXXGYFBAA-AWEZNQCLSA-N 444.320 5.015 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1ccc(-c2cccc(Br)c2)s1 2164108773 XKNNPQJXJGKHRP-QHCPKHFHSA-N 442.422 6.601 30 10 IKEE CC(C)(C)OC(=O)N1Cc2ccccc2CN1c1cc(Br)cc(F)c1C#N 2174767815 NZNJZGRWIPNMIX-UHFFFAOYSA-N 432.293 5.132 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](Nc2cc(Br)c(C#N)cc2F)[C@@H]2CCCC[C@@H]21 2179392025 ZPUHLXMKTKHDHN-KKXDTOCCSA-N 438.341 5.050 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(Br)c(C#N)c2)C[C@@H]1C1CCC1 2194105401 VNXDAMPNVGDPSE-IEBWSBKVSA-N 434.378 5.301 30 10 IKEE CC(C)(C)OC(=O)NC1(c2ccc(Nc3ccc(C#N)cc3Br)cc2)CC1 2206283657 SDNPLIPEHJVTRM-UHFFFAOYSA-N 428.330 5.578 30 10 IKEE C=CC[C@](C)(CO)N(Cc1ccccc1)C(=O)OCC1c2ccccc2-c2ccccc21 2208907430 CPZFQYBNSXOCAP-MUUNZHRXSA-N 427.544 5.765 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1sc(C)c(C)c1Br 2221841054 NMQIEZXFNKPPOU-HOCLYGCPSA-N 431.440 5.638 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)cc1Cl 2222752687 WIOTYCGPFMNRAK-DLBZAZTESA-N 431.802 5.613 30 10 IKEE C=C(COCc1ccccc1)[C@](C)(OCC(=O)O)c1ccc(OCc2ccccc2)cc1 2262198921 DEDBZDKKEZVZRT-MHZLTWQESA-N 432.516 5.355 30 10 IKEE CC1(C)OB(c2ccc(Cl)cc2C(=O)N(Cc2ccccc2)c2ccccc2)OC1(C)C 2267007904 CRKKXKQIKRBXGI-UHFFFAOYSA-N 447.771 5.486 30 10 IKEE Cc1cc(F)c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)c(F)c1 2283527784 ISBPRMHQZUMLKN-QGZVFWFLSA-N 437.284 6.042 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1CCC(=O)C#Cc1cccc(Br)c1 2296223723 CMGPKQNVKSUQBK-PXNSSMCTSA-N 434.374 5.233 30 10 IKEE CC(C)(C)OC(=O)NCC1([C@@H](O)C#Cc2ccc(Br)cc2)CCCCCC1 2296282044 RTPWYRBJPHDZEM-IBGZPJMESA-N 436.390 5.027 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)CCC(C)(C)NC(=O)OC(C)(C)C 2296309807 AYKJRWZKIHTYQT-IBGZPJMESA-N 437.422 5.252 30 10 IKEE O=C(C=C1Nc2ccccc2NC1=CC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 2296755478 BYFFOBTUCVRBOH-UHFFFAOYSA-N 435.310 6.364 30 10 IKEE O=C(Oc1ccc(Cl)cc1C(=O)C=Cc1ccccc1F)c1cccc([N+](=O)[O-])c1 2296761468 NGXFDLQYGCTPAN-UHFFFAOYSA-N 425.799 5.503 30 10 IKEE CCOc1cc(C=C2SC(=Nc3cc(C)cc(C)c3)NC2=O)cc(Br)c1O 2313466165 LUGCRIGVRZXROD-UHFFFAOYSA-N 447.354 5.062 30 10 IKEE COc1cc(C=C2SC(=Nc3ccc(F)cc3)NC2=O)ccc1OCc1ccc(C)cc1 2313557891 OECUDKIGOMEQQM-UHFFFAOYSA-N 448.519 5.613 30 10 IKEE C[C@@]12CC[C@@H]3[C@@H](CC[C@@H]4CCCC[C@]43C)[C@H]1CCC2=NN=CC=Cc1ccc([N+](=O)[O-])cc1 2313652951 PZDUXRAQOKZFJJ-IHYCKXQLSA-N 447.623 7.468 30 10 IKEE COc1ccc(C=C2Oc3cc(OCc4ccc(Cl)c(Cl)c4)ccc3C2=O)cc1 2314438124 IFHSFSQPKYGARI-UHFFFAOYSA-N 427.283 6.197 30 10 IKEE O=C1C(=Cc2cccc([N+](=O)[O-])c2)Oc2cc(OCc3ccc(Cl)c(Cl)c3)ccc21 2314438335 PGFROWDKLDOAAB-UHFFFAOYSA-N 442.254 6.097 30 10 IKEE CCOc1c(Cl)cc(C=NNc2nc(-c3ccc(OC)cc3OC)cs2)cc1OC 2318418396 ZFIKEUZJQAFCLD-UHFFFAOYSA-N 447.944 5.334 30 10 IKEE CCOc1cc(C=NNc2oc([C@H]3C[C@@H]3c3ccccc3)nc2C#N)ccc1OC(C)C 2320837458 YLVTUHITVZEMHW-UXHICEINSA-N 430.508 5.449 30 10 IKEE Cc1ccccc1COc1cc(C)c2c(c1)OC(=Cc1ccc(Br)cc1)C2=O 2321740089 KHUVIZSZFVAFLM-UHFFFAOYSA-N 435.317 6.261 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OCc4cc(C)ccc4C)ccc3C2=O)cc1 2321757926 BMXFQORGTAUFAD-UHFFFAOYSA-N 427.544 6.345 30 10 IKEE Cc1cccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccccc2Cl)C4)c1 2321958503 WCAVNFKXAWAHNS-UHFFFAOYSA-N 431.919 5.925 30 10 IKEE CCOc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN([C@H]2CCCC[C@H]2C)C4)cc1 2322153246 QFJGVOHOLZEDLV-VGSWGCGISA-N 433.548 5.741 30 10 IKEE O=C(C=Cc1c(OCc2cccc(Cl)c2)ccc2ccccc12)c1ccc2ccccc2c1 2322318071 GZHXBJFKJAICBH-UHFFFAOYSA-N 448.949 8.122 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2cc(C)ccc2C)c1OCc1cccc(Cl)c1 2322617162 NZKRGMCCHVTPAE-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE CCc1ccccc1NC(=O)COc1ccccc1C=CC(=O)c1cc(Cl)ccc1OC 2323022291 QWIYMXBEUPNUBE-UHFFFAOYSA-N 449.934 5.825 30 10 IKEE Cc1c(OC(=O)C=Cc2ccc(F)cc2)ccc2c1OC(=Cc1ccccc1Cl)C2=O 2323045761 KKALTNFXZYRXJO-UHFFFAOYSA-N 434.850 6.023 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc(OC(=O)c3cccc([N+](=O)[O-])c3C)c2C)C1=O 2323260898 SFSPSUBXRPNJJM-UHFFFAOYSA-N 445.427 5.056 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OCc1ccc(Cl)cc1 2323433438 KYYGAYCSFDUKQU-UHFFFAOYSA-N 446.974 7.093 30 10 IKEE O=C(C=Cc1ccc([N+](=O)[O-])cc1)Oc1ccc2c(c1)OC(=Cc1ccccc1Cl)C2=O 2323589647 MJWQRDOOODZATK-UHFFFAOYSA-N 447.830 5.483 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(F)c(C)c3)cc2[N+](=O)[O-])c1 2323974868 IWJRVPXSDGPZTF-UHFFFAOYSA-N 448.450 5.264 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)ccc1OCc1ccc(F)cc1 2324048052 QRSXFCKJRAQJTJ-UHFFFAOYSA-N 434.463 5.471 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2cc(Cl)c(OC)c(OCC)c2)cc1 2324210015 GSAGIZUCWUUYFI-UHFFFAOYSA-N 430.972 6.993 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OCc1ccc([N+](=O)[O-])cc1 2324381328 ZELKONYBDKOLSX-UHFFFAOYSA-N 447.487 5.704 30 10 IKEE N#C[C@H](C(=O)C=Cc1ccc(Cl)cc1Cl)c1nc(-c2cccc(Cl)c2)cs1 2324475049 KLIUHBPFKVJKCF-MRXNPFEDSA-N 433.747 6.660 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2cccc(C)c2)C3=O)cc1 2324490726 GUASMHFKHJWRCO-IBGZPJMESA-N 441.527 5.888 30 10 IKEE CCN(CC)C(=O)COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1OC 2324666244 LBHLRNYTLQCVAL-UHFFFAOYSA-N 436.335 5.145 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(OCCOc3ccc(C(C)(C)C)cc3)c2C)C1=O 2324691214 SSKLZWJKXBOHHK-UHFFFAOYSA-N 448.584 6.736 30 10 IKEE CCCCCOC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1Br)C2=O 2325041143 BMBSRIJRZHJGMV-UHFFFAOYSA-N 445.309 5.178 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4cccc(Cl)c4C)cc(C)c3C2=O)o1 2325055424 LEDDWOWYBKQQFY-UHFFFAOYSA-N 437.879 5.492 30 10 IKEE CCCc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c(F)c3)c2)cc1 2325748554 SPHSFILQCQGCGS-UHFFFAOYSA-N 448.490 5.667 30 10 IKEE CSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1cccc(Cl)c1 2325882646 FKVAXHJOFGDWDK-UHFFFAOYSA-N 436.968 5.700 30 10 IKEE CSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1cccc2ccccc12 2325985122 QDGLKKKMDKUHNP-UHFFFAOYSA-N 436.968 5.700 30 10 IKEE COc1ccc(C=Nn2cnnc2SCc2ccc(C(C)(C)C)cc2)c(Cl)c1O 2326315515 PJEYZOMPDABZRX-UHFFFAOYSA-N 430.961 5.118 30 10 IKEE CCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1cccc(OCC(C)C)c1 2326681296 SSXIHAYHALNEER-UHFFFAOYSA-N 433.581 5.312 30 10 IKEE CCOc1cccc(C=Nn2c(C)nnc2SCc2ccc(Cl)cc2Cl)c1O 2326698016 DYOVYKMPSTWTJT-UHFFFAOYSA-N 437.352 5.172 30 10 IKEE CCOc1ccc(C=Nn2c(CC)nnc2SCc2ccc(Cl)cc2Cl)cc1 2326701760 VKTPVHUVOOAZKG-UHFFFAOYSA-N 435.380 5.721 30 10 IKEE Oc1cccc(C=Nn2c(SCc3ccccc3F)nnc2-c2ccccc2Cl)c1 2329576996 HBXVBJAWKCLWIC-UHFFFAOYSA-N 438.915 5.618 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)cc(Cl)c1OC(=O)c1cncc(C)c1 2330752669 POLQWPJXGCXCSH-UHFFFAOYSA-N 449.934 6.120 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)ccc1OC(=O)Cc1ccc(F)c(C)c1 2330765122 HANMIEFLPSQKLY-UHFFFAOYSA-N 446.518 6.139 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cccc4ccccc34)cc2)cc1C 2330854807 BXTZUZKOXXDLFR-UHFFFAOYSA-N 436.507 6.201 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3cccc(C)c3)cc2)cc1C 2330855585 FQBYGFGYKSNVGH-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE CCCSc1nnc(CC(C)(C)C)n1N=Cc1ccc(OCc2ccccc2C)cc1 2330857277 GXCQRTGHPSWBTP-UHFFFAOYSA-N 436.625 6.138 30 10 IKEE COc1cccc(CCC(=O)Oc2c(OC)cc(C=CC(=O)c3ccccc3)cc2OC)c1 2331165526 VSERSKPKFULCER-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE CCc1ccc(C=Nn2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccco2)cc1 2331189524 SUZAGWBRYLOAPC-UHFFFAOYSA-N 433.493 5.183 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3ccco3)c(OCC)c2)cc1 2331201260 FZKXDIHPLXFSAM-UHFFFAOYSA-N 440.879 5.846 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)c1ccncc1 2331225667 LHCYEUXBEVUPLT-UHFFFAOYSA-N 435.907 5.866 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccc(CC)cc2)n1N=Cc1cccc(C)c1 2331325421 YGVPEUAEEVDJOL-UHFFFAOYSA-N 435.597 5.105 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC(=O)[C@@H]1CCCO1 2331429496 AXYHQTNCKIVABI-DEOSSOPVSA-N 448.559 5.702 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc1C(C)C 2331571544 YPMSLKADVBYNPY-UHFFFAOYSA-N 448.946 6.896 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C)cc(C)c3OC)cc2)cc1OC 2331659311 HBBQLARAKUWGLN-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C(C)C)c1 2331707178 ROWUHUPSOFDMOX-UHFFFAOYSA-N 428.989 6.018 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccccc3-c3ccccc3)cc2)c(C)c1 2331764188 JLXJVDBHSLXKPC-UHFFFAOYSA-N 446.546 7.394 30 10 IKEE CC1(C)C[C@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN1Cc1ccccc1 2339574683 LNABULIUXUPHAF-QFIPXVFZSA-N 433.405 5.191 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Br)c(Oc2cc(Cl)c(F)cc2C#N)c1 2344218331 KLJBPGPSNLDTIJ-UHFFFAOYSA-N 441.684 6.253 30 10 IKEE CO[C@H](C#C[C@H](N)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1)C1CCCC1 2369630803 CJCMQSLRXBBZRP-PKOBYXMFSA-N 437.378 5.005 30 10 IKEE Cc1cc(CSCc2ccc(Br)cc2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369730135 VSVCHXTYVVVCTK-UHFFFAOYSA-N 433.220 5.490 30 10 IKEE O=C(Nc1nnc(/N=C/c2ccc([N+](=O)[O-])s2)s1)c1ccc(-c2ccccc2)cc1 1885000 PCFRITRUBLQUIW-CIAFOILYSA-N 435.490 5.178 30 10 IKEE CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(-c3ccccc3)cc2)cc1 21249795 ZEQXHWJUCUWZNM-AZGAKELHSA-N 449.594 6.655 30 10 IKEE Cc1ccc(C(=O)/N=C(\NCc2c(C)nn(C)c2C)Nc2ccc(C(C)C)cc2)cc1F 32972656 PHIRYIXBYPKOND-UHFFFAOYSA-N 435.547 5.006 30 10 IKEE O=C(/C=C\c1ccc(F)cc1)c1ccc(OC(=O)N(c2ccccc2)c2ccccc2)cc1 34954847 JBVZFLRBWKXVTI-MOSHPQCFSA-N 437.470 7.059 30 10 IKEE C/C(=N/OCc1cccc(F)c1)c1cc(-c2ccc(F)cc2)n(-c2cccc(C)c2)c1C 35843457 OJOHSUKQPKSHQM-FSGOGVSDSA-N 430.498 6.980 30 10 IKEE C=CCOc1cccc2c1cc(C(=O)NCc1ccccc1)n2Cc1c(F)cccc1F 35927852 AQOHEEKHAAAELH-UHFFFAOYSA-N 432.470 5.463 30 10 IKEE CC1=C(C(=O)OC(C)(C)C)[C@@H](c2cccc(Cl)c2)CC(=O)N1Cc1cccc(C#N)c1 37576690 GQKNKGYIRFAEPF-OAQYLSRUSA-N 436.939 5.343 30 10 IKEE Cc1ccc(/N=C2/NC(=O)S/C2=C\c2ccc(-c3nc4ccccc4s3)o2)cc1C 39794148 QDGBUGRLRWKYDT-NDENLUEZSA-N 431.542 6.701 30 10 IKEE C=CCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2[C@@H]1c1ccc(OCCCCCC)cc1 39910833 RKTKETORNBLDDO-DEOSSOPVSA-N 445.559 6.100 30 10 IKEE CCN(CC)S(=O)(=O)c1ccc(/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1 40570729 QYOIRSXQKFRLDW-OVVQPSECSA-N 445.588 5.471 30 10 IKEE CC[C@H](C)Oc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(OC(C)C)cc1)C2 59530932 CDGXTYGIAJTILE-NOXFTYBFSA-N 447.575 5.655 30 10 IKEE CCN(CC)c1ccc(/C=C2/CCC(/C=N/N=C/c3ccccc3)=C2N2CCOCC2)cc1 89969100 TXIZNGFYAHEFAQ-GGLLLXIPSA-N 442.607 5.401 30 10 IKEE CCCCCCCOc1cccc(NC(=O)CNc2cccc(C(=O)N[C@H](C)CC)c2)c1 100099681 POVJEBUBRUQYHB-HXUWFJFHSA-N 439.600 5.615 30 10 IKEE CCCCCCCOc1ccc(NC(=O)C(C)(C)CCCOc2cc(C)ccc2C)cc1 100425173 GEVILZPIGQBGGL-UHFFFAOYSA-N 439.640 7.477 30 10 IKEE C=C(C)COc1ccccc1NC(=S)NC(=O)CCCCCCCCCCCCC 100443976 KLNMQYCLJFXBOM-UHFFFAOYSA-N 432.674 7.156 30 10 IKEE CCCCCCCCCCn1c(CCNC(=O)Cc2ccccc2C)nc2ccccc21 102142900 AZFIBDUKICOWJI-UHFFFAOYSA-N 433.640 6.387 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\n2c(SC)nnc(C)c2=O)cc1Cl 169882561 CQGXNOWIGGOXJH-HAHDFKILSA-N 437.009 5.334 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2cccc(OC)c2)c1 169933269 AANHJIBIUKZDBP-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CN1C(=S)N[C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C2=C1CCCC2=O 169936885 KCRFKHBOODFNRS-OAQYLSRUSA-N 447.387 5.441 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2cc(C)ccc2O)c1 169970887 JWUSTZSRDMRBKU-QFIPXVFZSA-N 433.891 5.445 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccccc2C)c1 170037308 KJURIQNUTYRIRM-RUZDIDTESA-N 441.527 5.793 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@H]2c2ccccc2)c1 170046831 GLRDKLYKKXIOQD-XMMPIXPASA-N 443.499 5.267 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)cc1 170070377 JDZQKEWXGJZNJE-JOCHJYFZSA-N 435.882 5.824 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1c[nH]c2ccccc12)c1cccc2ccccc12 170076713 HWRKVRIVUXTJNA-VWLOTQADSA-N 448.478 5.693 30 10 IKEE CCOc1ccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170137239 SMIYVLCIPUEONT-UHFFFAOYSA-N 443.890 5.007 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(Cl)c3C)C(=O)N(c3ccc(C#N)cc3)C2=O)c(C)c1 170146078 IXVBHODTBCZJNK-UHFFFAOYSA-N 441.918 5.534 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccs1 170159961 ZYNKUTOWJKVBJY-OAQYLSRUSA-N 431.469 5.286 30 10 IKEE CCCOc1ccc(C2=C(Nc3cccc(C)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170174101 ADTIYTJZSQDMEE-UHFFFAOYSA-N 437.499 5.052 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2cccnc2)c1C 170187730 PJMXJLHIHZAZGY-RUZDIDTESA-N 438.527 5.360 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccccc2F)cc1 170249510 GPNYBUZZQHKKSW-UPCLLVRISA-N 443.474 5.240 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1F)c1ccc2c(c1)CCCC2 170250504 APNBYUZHUXXKTQ-HSZRJFAPSA-N 431.463 5.076 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@H]1c1ccc(CC)cc1 170268246 QWRKZTMPSHYBOL-JOCHJYFZSA-N 441.955 5.680 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@@H]1c1ccco1)c1ccc2ccccc2c1 170287369 ZWRIUBREFGWDQQ-AREMUKBSSA-N 445.474 6.369 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(C)o2)ccc1Cl 170308083 VDQPPKMAHMBIHD-HXUWFJFHSA-N 429.900 5.161 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(OC)c2)cc1 170362047 JXTXICPBOCMLOH-XMMPIXPASA-N 443.499 5.267 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2cccc(C(F)(F)F)c2)o1 170424670 XUDPHKNNQLRYKW-GOSISDBHSA-N 447.434 5.447 30 10 IKEE CCCCCCCCCCCCCCCCCCNc1ccc([N+](=O)[O-])c2nonc12 196659000 LJXWHAMRFHJZOO-UHFFFAOYSA-N 432.609 7.804 30 10 IKEE C=C[C@@H]1C=C(COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]2OC(C)(C)O[C@H]21 215238747 PTIHDIXARMLYBE-WWEDSPNTSA-N 438.567 6.257 30 10 IKEE Cc1cc(C)c2oc(-c3ccc(C)c(N=Cc4cc5c(cc4[N+](=O)[O-])OCO5)c3)nc2c1 252623075 OJNACHLJDKKELK-UHFFFAOYSA-N 429.432 5.808 30 10 IKEE CCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2C)SC1=Nc1cccc2ccccc12 252630221 UXJFJMSIQZUTRE-CSFSZXLXSA-N 447.585 5.842 30 10 IKEE Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)ON=Cc1ccc(N(C)C)cc1 254293375 RJZCDTOIBANVHY-UHFFFAOYSA-N 433.295 5.605 30 10 IKEE CC(C)N=c1scc(-c2ccc(F)cc2)n1/N=C1/C(=O)Nc2c(Cl)cc(Cl)cc21 254401342 SIGXLGCQVHWZOJ-UHFFFAOYSA-N 449.338 5.176 30 10 IKEE Cc1cc(I)ccc1N=Cc1c(C)nn(-c2ccccc2)c1Cl 254524285 MEPXYGHXNMSPSP-UHFFFAOYSA-N 435.696 5.498 30 10 IKEE COC(=O)c1ccc(COc2ccc(C=NN=C(c3ccccc3)c3ccccc3)cc2)cc1 254720926 HIDBXDVDXWAOJR-UHFFFAOYSA-N 448.522 5.924 30 10 IKEE C=C(C(C)C)[C@H](CC)CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 257377761 ALRMQDKADQHRGT-AFQOYCIWSA-N 440.756 8.581 30 10 IKEE COc1cccc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1OC 526489516 VOQNJXFULLXBMP-QFIPXVFZSA-N 446.890 5.286 30 10 IKEE Cc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2c(C)n(C)c3ccccc23)cc1 526491751 PYRQJCJGCSIYPE-SANMLTNESA-N 433.511 5.724 30 10 IKEE CC(=O)Oc1ccc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526514504 CZAKIVBGLDFEQR-HSZRJFAPSA-N 444.874 5.194 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1ccc(Cl)c(F)c1 698450711 FXMCOWFNHIBSSK-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCN(C(=O)OC(C)(C)C)[C@@H]2C)cc1 698987728 NJQRTDOSAKLISU-MZNJEOGPSA-N 445.560 5.118 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)c2ccc(Br)cc2F)c1 710801093 PEPQIZGFPFMNNL-NRFANRHFSA-N 433.321 6.077 30 10 IKEE CCCC[B-]1(CCCC)C(=Nc2ccccc2)[N+](C(C)C)=C(c2ccccc2)N1C(C)C 725434360 RPTPRNNHAGDNEY-UHFFFAOYSA-N 431.477 7.393 30 10 IKEE CCc1cccc[n+]1/C(C(=S)Nc1ccccc1C#N)=C(/O)c1cc(C)ccc1OC 748294258 SBQFJDGHLMWPNP-UHFFFAOYSA-O 430.553 5.049 30 10 IKEE C=CC[C@@H]1CCCN(C(=O)CSCc2nc(O)c3c(-c4ccccc4)csc3n2)C1 1632374003 XSEIEMUIUXIIII-MRXNPFEDSA-N 439.606 5.112 30 10 IKEE CCc1ccc(C[C@H]2SC(=Nc3ccc(C(=O)O)cc3)N(Cc3ccccc3)C2=O)cc1 1772728085 MSJZFAJEMZISDW-HSZRJFAPSA-N 444.556 5.322 30 10 IKEE Cc1cccnc1NC(=O)c1oc2c(c1C)C(=NNc1cccc(C(F)(F)F)c1)CCC2 1772750687 GMLWBYINRPTHSA-UHFFFAOYSA-N 442.441 5.715 30 10 IKEE COc1ccccc1/C=C1/SC(=NN=Cc2ccccc2C)N(Cc2ccco2)C1=O 1772757889 VAGGZXULUACBER-HWVQBVCISA-N 431.517 5.103 30 10 IKEE CC(C)c1ccc(/C=C/C(=O)NCc2ccc(OC(=O)Nc3ccccc3C#N)cc2)cc1 1858905657 YSPCPXXKOAVERV-LFIBNONCSA-N 439.515 5.622 30 10 IKEE Cc1ccc(CCCC(=O)Oc2cccc3c(NC(=O)c4cccc(C#N)c4)cccc23)cc1 1858930188 WNDNSMPODQFBCR-UHFFFAOYSA-N 448.522 6.201 30 10 IKEE CSCc1ccc(C(=O)Nc2ccc(Cl)c(NC(=O)c3cccc(C#N)c3)c2)cc1 1860458287 SRFUTARZLBSYSE-UHFFFAOYSA-N 435.936 5.579 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCSC)NC(=O)c1ccccc1Cl 1861024780 ZHNCBLMJLLWYNA-FQEVSTJZSA-N 427.054 5.448 30 10 IKEE CCCCCCCCNC(=O)[C@H](C)NC(=O)c1ccc2[nH]c(-c3ccc(CC)cc3)nc2c1 1861435532 ABGGXWWWEWJXRL-IBGZPJMESA-N 448.611 5.387 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)c1ccc2nc(C(C)C)[nH]c2c1 1861447766 PSOZVHBFRWNDCY-FQEVSTJZSA-N 428.621 5.452 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](C)NC(=O)/C=C/c1ccc(Cl)cc1Cl 1861552366 GGPSWKCWTXAALL-ABDJAZHISA-N 427.416 5.768 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 1861563159 QBGQJGRPWHOIIZ-BKWQBPKISA-N 428.661 6.149 30 10 IKEE CCCCCCCCNC(=O)[C@H](NC(=O)COc1c(C)ccc(C)c1C)c1ccccc1 1861664747 KICZTZSPOZQBDK-RUZDIDTESA-N 438.612 5.325 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccccc2)cc1C 1862400280 AHUQRRVSPAWVHA-DEOSSOPVSA-N 431.532 5.472 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccc(O)c(O)c2)cc1 1862476795 ONFXHXKJUBIMKK-HSZRJFAPSA-N 435.520 5.097 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC(C)C)c(OC)c1 1862483494 BDRCJBALVWFCJW-HXOBKFHXSA-N 437.536 5.168 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)cc1 1862492836 BDUXAKRQOVSTBP-BFMBIBTESA-N 447.575 5.859 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862516333 LWLMKISJBSLWAM-XMMPIXPASA-N 446.547 5.581 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(C)cc1 1862698247 DUZXOOAULQNUDI-XMMPIXPASA-N 435.564 5.942 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccccc2Cl)c1 1862700468 GYLAWCMIIYTBRU-QMHKHESXSA-N 447.918 5.688 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C(C)C)c(C)c3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862897243 DHNWCIOVUZWZBD-UHFFFAOYSA-N 435.527 5.695 30 10 IKEE Cc1ccccc1N1C(=O)C(Nc2ccccc2C#N)=C(c2cc(Cl)ccc2Cl)C1=O 1863016063 UOUXODADRWGOQK-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE N#Cc1ccccc1NC1=C(c2cccc3ccccc23)C(=O)N(C2CCCCCCC2)C1=O 1863230378 AIVVEBYOZUGIHJ-UHFFFAOYSA-N 449.554 6.016 30 10 IKEE CCCCCCCCCCNC1=C(c2c[nH]c3ccccc23)C(=O)N(CCCCC)C1=O 1863814791 QOBNTFLLTZFCMJ-UHFFFAOYSA-N 437.628 6.168 30 10 IKEE CCc1nc(-c2ccc(OC)c(OC)c2)ccc1C(=O)Nc1scc(C(C)(C)C)c1C#N 1865784745 XKDNQJNLMGRXAJ-UHFFFAOYSA-N 449.576 5.811 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](CCSC)NC(=O)C[C@@H](c1ccc(C(C)C)cc1)C(C)C 1868704519 JXIZLEYDVICEFY-DNQXCXABSA-N 444.685 5.378 30 10 IKEE N#Cc1nnn(-c2ccc(F)c(Cl)c2)c1NC(=O)/C(=C\c1ccccc1)c1ccccc1 1870142843 XJUUHEFPKVEXPV-UYRXBGFRSA-N 443.869 5.111 30 10 IKEE CCCCCCCCCCn1cc(OCc2ccccc2C)c(=O)cc1CSC(C)C 1870171337 WSBQPXWJJMCKFX-UHFFFAOYSA-N 443.697 7.518 30 10 IKEE C=CCn1cc(OCC(=O)Nc2ccc(C)cc2Cl)c(=O)cc1CSC(C)(C)C 1870177567 SXCOCXORTMGVKF-UHFFFAOYSA-N 434.989 5.045 30 10 IKEE N#Cc1ccc(COc2cn(CCCCCCO)c(CSc3ccccc3)cc2=O)cc1 1870233975 PTPDXRJNGBAGKD-UHFFFAOYSA-N 448.588 5.144 30 10 IKEE C#CCOc1cn(CCc2ccc(OC)cc2)c(CSc2ccc(Cl)cc2)cc1=O 1870298373 AERKTSRLQBWUBY-UHFFFAOYSA-N 439.964 5.057 30 10 IKEE CCCCCCCOc1cn(CCCCCC)c(CN2CCc3ccccc3C2)cc1=O 1870416788 OPWNBAGHJWYUMB-UHFFFAOYSA-N 438.656 6.336 30 10 IKEE CCCCCCCCn1cc(OCC2CCCCC2)c(=O)cc1CN(CCO)CCCC 1870483367 PEKDOXWGODIARH-UHFFFAOYSA-N 448.692 5.762 30 10 IKEE CCCCCCCCN1COc2ccc3c(c2C1)O/C(=C\c1cccc([N+](=O)[O-])c1)C3=O 1871348637 KBBHNURRQFFUDB-HAHDFKILSA-N 436.508 5.723 30 10 IKEE Cc1cccc(CN2COc3c(cc4c(c3C)O/C(=C\c3cccc([N+](=O)[O-])c3)C4=O)C2)c1 1871359603 RYLGWVNIBMRBFE-KSEXSDGBSA-N 442.471 5.180 30 10 IKEE COc1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2)C3=O)cc1OC 1871367171 XCWAYYNSKBUIBR-ILUFLWKGSA-N 442.467 5.247 30 10 IKEE Cc1c(OC(=O)CCc2cccs2)ccc2c1O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 1871392061 NQIBPTGJAZHNRM-KQWNVCNZSA-N 446.568 6.508 30 10 IKEE Cc1c(OCCc2ccccc2)ccc2c1O/C(=C\c1ccc(Br)cc1)C2=O 1871400235 QKBQDBNVOJSLKW-JCMHNJIXSA-N 435.317 5.995 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCCCCOc4ccccc4C)cc(C)c3C2=O)cc1 1871404735 PLOHDIFZSANZEB-IMRQLAEWSA-N 442.555 6.720 30 10 IKEE CC(=O)c1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2sccc2C)C3=O)cc1 1871422258 IAQCFTFZTQSGIK-MTJSOVHGSA-N 447.512 5.201 30 10 IKEE Cc1ccc(NC(=O)CCOc2cc(C)c3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1 1871432936 SRDYQRKRSHCLOZ-IWIPYMOSSA-N 427.500 5.636 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc2c(c1C)O/C(=C\C=C\c1ccccc1)C2=O 1871453572 FZPVOIYYTDWXGZ-DNUMDTLGSA-N 425.484 5.493 30 10 IKEE CCCCCCCCCCN=c1nc(N(CC)CCCC)[nH]c(=Nc2cccc(F)c2)[nH]1 1871546219 LGKPKAPXFDLPAF-UHFFFAOYSA-N 444.643 5.777 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(CC)cc2)[nH]c(N(C)CCCC)n1 1871584953 HUHJDNUNVDGIGS-UHFFFAOYSA-N 440.680 6.388 30 10 IKEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 1871839350 AMEDAUIFZFLBHT-HSZRJFAPSA-N 428.598 5.103 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)/C=C/c3cccc([N+](=O)[O-])c3)n2)cc1C 1872787857 TWCNCHTXGNUQRX-UCFODXPJSA-N 433.489 5.233 30 10 IKEE CCCCCOc1ccccc1/C=N/Nc1cnn(-c2ccccc2Cl)c(=O)c1Cl 1873529140 NUJDFZWVVGJBRC-AFUMVMLFSA-N 445.350 5.554 30 10 IKEE CCCSc1nnc(CCOc2ccccc2)n1/N=C/c1c(OC)ccc2ccccc12 1874347529 SQIOPGZIZFBZGF-NLRVBDNBSA-N 446.576 5.446 30 10 IKEE Clc1cccc(CSc2nnc(CCOc3ccccc3)n2/N=C/c2cccnc2)c1 1874347608 XBWSBZRQAFNZDH-WGOQTCKBSA-N 449.967 5.123 30 10 IKEE COc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2-c2ccccc2Cl)cc1 1874365625 MBECVGCMBRSSPS-YZSQISJMSA-N 448.979 5.824 30 10 IKEE Clc1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2c[nH]c3ccccc23)cc1 1874424322 FPDUPMCPAGDSNT-DHRITJCHSA-N 449.992 6.316 30 10 IKEE Clc1ccc(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2ccccc2)cc1Cl 1874450958 OEYPDUCZLOEOII-KCDOPAPYSA-N 433.364 5.611 30 10 IKEE CCSc1nnc(-c2ccco2)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874464763 ACFYWDMFDOTKKR-ZVHZXABRSA-N 438.940 5.765 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc(OCCC)cc1 1874479460 BAKTWWAKNADNGK-PCLIKHOPSA-N 443.016 6.237 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)cc1C 1874573973 OJCIAOYEZSFEMB-BUHFOSPRSA-N 442.942 7.285 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C)cc2C)c1OCC(=O)Nc1cc(C)cc(C)c1 1874578960 OZSVZBALFRQPRQ-ZRDIBKRKSA-N 443.543 5.842 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(C)ccc2C)c1OCC(=O)Nc1ccc(C)cc1C 1874580281 GQWGCRLBBWOYLR-WYMLVPIESA-N 443.543 5.842 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2C)cc1C 1874587760 CHUVWVCONSJFNM-ZRDIBKRKSA-N 447.962 6.487 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C)c(C)c2)c1OCC(=O)N[C@H](C)c1ccccc1 1874587763 CJEUJBXBDIWRTC-UFBKIKKCSA-N 443.543 5.464 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2ccccc2OCc2ccc(F)cc2)cc1Cl 1874590570 NISOOHFUCCPJTF-DHZHZOJOSA-N 431.290 6.616 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OCC(=O)Nc1cccc(C)c1 1874595458 MHKDMEKSAIZACP-PKNBQFBNSA-N 435.907 5.571 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OCC(=O)Nc1cccc(C)c1 1874595704 ZPWRVMSYZKILCY-WUXMJOGZSA-N 435.907 5.571 30 10 IKEE C=C(C)COc1c(OCC)cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-] 1874601654 VVHYEWBBPABJFH-XNTDXEJSSA-N 443.499 6.512 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)c(Cl)c2)c1 1874605150 HSMLITKJRUBADY-YLZCUGDYSA-N 449.934 5.501 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)ccc1OCc1ccccc1 1874635883 YCTITYDTYFRGRD-DTQAZKPQSA-N 428.572 7.166 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OCc1ccccc1Cl 1874638409 YGMJLUWXCGRKQJ-UXBLZVDNSA-N 447.745 7.131 30 10 IKEE CCOc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 1874697875 FDDUZXKDFZUYLS-OVCLIPMQSA-N 431.444 5.038 30 10 IKEE COc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3cc(C(C)(C)C)ccc3C)c2)cc1 1874715489 BTPRELVZNUEWHI-MHWRWJLKSA-N 428.528 6.416 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)cc2OC)cc1 1875098590 FNFFISGNLCMPIT-VIZOYTHASA-N 442.511 5.698 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)c(Cl)c2)cc1 1875100121 OZLRAJBRKCYCOJ-LZYBPNLTSA-N 446.974 7.315 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1Br)c1ccccc1 1875113446 IANKNHKALQLIMR-ZRDIBKRKSA-N 441.708 6.218 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2OC)cc(OC)c1OC(=O)c1cncc(C)c1 1875119626 DJUZPHNWOZBGIS-VAWYXSNFSA-N 443.499 5.251 30 10 IKEE CCCCCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2ccc(F)cc2F)cc1OC 1875120656 DBPJMMPGWDBPAB-FMIVXFBMSA-N 432.463 5.754 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)c1ccccc1C 1875123080 VJZYTGZKNZALKV-KPKJPENVSA-N 441.310 6.426 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)c1cccc(Cl)c1 1875123571 SRMAKUZCCSHWLN-IZZDOVSWSA-N 431.702 6.762 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)CCc1ccccc1C 1875152197 IUNMZQBAHHVEIL-YRNVUSSQSA-N 444.483 5.167 30 10 IKEE CSCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1Br 1875175080 XTNNOICOFGEKMK-JXMROGBWSA-N 447.394 6.011 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)C(C)(C)C)c(OC)c2)c(OCC)c1 1875179623 SEICQWYIUOXSCK-UKTHLTGXSA-N 426.509 5.340 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)ccc1OC(=O)CC(C)(C)C 1875181645 PZYHMAZSADFVEM-VQHVLOKHSA-N 430.928 5.903 30 10 IKEE CCCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1OC 1875189400 OMQOSXJMDRCGBJ-JXMROGBWSA-N 437.319 6.002 30 10 IKEE C=CCn1c(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc2c(NCCCCCCCC)ncnc21 1875230412 YKFFYQLRROXIGI-BGYRXZFFSA-N 425.621 5.508 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1C[C@@H]2CCC[C@@H]2N1C(=O)OC(C)(C)C 1906292419 LAEQMGWYFFYOBH-ZJZGAYNASA-N 428.617 5.306 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC[C@H]1CCCCN1C(=O)OC(C)(C)C)NCCC 1922060843 SVSONBVPGWOLAT-RPWUZVMVSA-N 430.633 5.697 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)NCC 1922119349 NIBOJDMIRCXBQR-BJKOFHAPSA-N 430.633 5.601 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC=CCC1 2019449031 XPMNBCLXHRWQKV-TZRRMPRUSA-N 428.617 5.377 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)cc1Br)NC 2028172231 OKDBTXFUTKZXCY-DLBZAZTESA-N 431.802 5.093 30 10 IKEE CCOC(=O)c1c(C2CCC2)nn(Cc2ccc(C(F)(F)F)cc2F)c1C(F)(F)F 2079059793 ADPOTRGKYMBVHD-UHFFFAOYSA-N 438.343 5.552 30 10 IKEE CCCc1ccc([C@H](n2nc(C(F)(F)F)c(C=NO)c2Br)C(C)(C)C)cc1 2079925351 LMMXRHNDNYFHNL-INIZCTEOSA-N 446.311 6.061 30 10 IKEE CC(C)c1ccc([C@H](C(C)C)n2nc(C(F)F)c(C#N)c2I)cc1 2080000117 PITRVZAVZMBLKW-INIZCTEOSA-N 443.279 5.666 30 10 IKEE CC[C@@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C2(C)CC2)c(C=NO)c1Br 2080021926 CGVTTXKEDRJBJE-AWEZNQCLSA-N 448.258 5.663 30 10 IKEE CCCC#CC[C@H](N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2083448307 RTJZNUXXXSBIPX-LSYYVWMOSA-N 429.560 5.399 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](Cc2cc(Cl)ccc2Br)NC)C1 2126685335 OSMPFPJQKYPQKD-KRWDZBQOSA-N 443.813 5.094 30 10 IKEE CC(C)(C)[C@@H]1CC=C(C(=O)c2cc(Br)ccc2I)CC1 2181637655 HYWSWSDHSYSTBY-GFCCVEGCSA-N 447.154 6.009 30 10 IKEE N[C@@H](C#Cc1ccccc1Br)c1cc(Br)c(Br)s1 2220269245 IAVUJRDAOHERCO-NSHDSACASA-N 449.993 5.087 30 10 IKEE C=CCCCCC[C@H](N)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229109957 OTURSGJRIQNSEC-OALUTQOASA-N 425.411 5.349 30 10 IKEE C=C(C)CC[C@@H](NCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229119750 GFFPYULGFVRFHV-RTBURBONSA-N 425.411 5.219 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCC)c2c(F)cc(F)cc2Br)C1 2233951152 QGJFKFBZJRKTND-QGZVFWFLSA-N 445.348 5.239 30 10 IKEE CC(C)(C)OC(=O)N[C@](C)(C(=O)C#Cc1ccccc1Br)C1CCCCC1 2235715701 BWJXZKYMVAHMAC-QFIPXVFZSA-N 434.374 5.233 30 10 IKEE Cc1sc(C(=O)N(Cc2ccccc2)[C@H](C)C(C)C)c(B2OC(C)(C)C(C)(C)O2)c1C 2255658555 FYOCPNUZEHEJRZ-GOSISDBHSA-N 441.446 5.351 30 10 IKEE CC(C)(C)N(Cc1ccccc1)C(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1Cl 2256018456 ZBBZTDYOPUBMFZ-UHFFFAOYSA-N 445.771 5.219 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1cc(F)ccc1Cl 2268129843 LZGPUFMIYZGWLT-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Br)cc(C(C)(C)C)c1 2272994413 ALGOXSQYHRBARQ-QZTJIDSGSA-N 425.411 5.477 30 10 IKEE C=CCSC1=NC(=Cc2cc(Cl)c(OCc3ccccc3)c(OCC)c2)C(=O)S1 2295502370 WGLPHRSAFXBFEY-UHFFFAOYSA-N 445.993 6.207 30 10 IKEE CCOc1ccc(C=C2SC(=Nc3ccccc3)N(C3CCCCC3)C2=O)cc1OC 2296390143 UJPJRKNWBKBOKH-UHFFFAOYSA-N 436.577 6.031 30 10 IKEE COC(=O)c1ccc(C=C2Oc3cc(OCc4ccc(F)cc4Cl)ccc3C2=O)cc1 2296867528 VMYXYEPJBJGKLA-UHFFFAOYSA-N 438.838 5.461 30 10 IKEE C[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Br)C[C@@H](C)S1 2317652780 QSMOFTICKAECDI-HBCWATKFSA-N 425.392 5.757 30 10 IKEE Cc1ccccc1COc1ccc(C=Nn2cnnc2SCc2ccccc2F)cc1 2321283839 FXEOUGJNHDWHAW-UHFFFAOYSA-N 432.524 5.479 30 10 IKEE Cc1ccc(COc2cc(C)c3c(c2)OC(=Cc2cccc(Br)c2)C3=O)cc1 2321744062 LMEQBFYFFLXNPS-UHFFFAOYSA-N 435.317 6.261 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc4c3CN(Cc3ccc(OC)cc3)CO4)C2=O)cc1 2321947004 SEQMXUWZPJBHKM-UHFFFAOYSA-N 427.500 5.226 30 10 IKEE CCc1ccc(OCCCc2nnc(S)n2N=Cc2c(Cl)cccc2Cl)cc1 2322217887 MOJNDGJMSLPXCQ-UHFFFAOYSA-N 435.380 5.330 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)c1OCc1cc(C)ccc1C 2322307609 SCRIFJNGRMMMOI-UHFFFAOYSA-N 448.562 7.454 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccccc1Cl)C3=O)CN(Cc1ccccc1F)CO2 2322350384 XVMCZVWJUDSGPH-UHFFFAOYSA-N 435.882 5.756 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCc3cccc(F)c3)ccc3ccccc23)cc1C 2322415431 SUOGXVMVLZENEC-UHFFFAOYSA-N 426.487 6.771 30 10 IKEE CCn1cc(C=C2Oc3cc(OC(=O)c4ccccc4F)cc(C)c3C2=O)c2ccccc21 2322788509 JTRPIWWBCOFSET-UHFFFAOYSA-N 441.458 5.944 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2ccc(Cl)cc2)c(C)c1C 2322825137 JUTFNPFABFQUFD-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2Cl)cc1OCc1c(F)cccc1Cl 2323086123 ZNIGPGXWOHQNCF-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE COc1ccccc1C=C1Oc2cc(OC(=O)CCc3ccc(Cl)cc3)ccc2C1=O 2323101913 YVOSSJAPQVYFDD-UHFFFAOYSA-N 434.875 5.503 30 10 IKEE O=C(COc1cccc(C=CC(=O)c2cc(Cl)ccc2Cl)c1)Nc1ccc(F)cc1 2323327696 LEOPOBDAEWNHKA-UHFFFAOYSA-N 444.289 6.046 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)cc(Cl)c1OCC(=O)OCC(C)C 2323496188 KERRGNPELICHGF-UHFFFAOYSA-N 446.927 5.221 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4cc(Cl)ccc4Cl)cc(C)c3C2=O)cc1 2323582593 IMYKDXUXPOXQKN-UHFFFAOYSA-N 439.294 6.446 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(Cl)c2)c1 2323943808 RZWXCEYOHSKPDU-UHFFFAOYSA-N 447.962 6.487 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OCc3cccc(Cl)c3)c(Cl)c2)c1 2324017345 CRBMVKDGHBQQBU-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE Cc1cc(O)c(CN2CCC[C@@H](C)C2)c2c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O2 2324066765 AOPARNUOJKWUHR-CYBMUJFWSA-N 432.347 5.856 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)OC)c(OC)c2)cc1 2324210977 KNIMZHFSLMBSBT-UHFFFAOYSA-N 440.536 5.492 30 10 IKEE CCCOc1c(OCC)cc(C=CC(=O)c2cc(OCC)ccc2OCC)cc1[N+](=O)[O-] 2324397435 PKKQVJDJOLFMAT-UHFFFAOYSA-N 443.496 5.476 30 10 IKEE C=CCOc1c(OCC)cc(C=CC(=O)c2cc(OCC)ccc2OCC)cc1[N+](=O)[O-] 2324397561 WZJHCIFHEJYMKF-UHFFFAOYSA-N 441.480 5.252 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccccc4C)c3C)C2=O)c1 2324412611 AJNBIUBYEJDFGI-SFHVURJKSA-N 443.499 5.334 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc(O[C@@H](C)C(=O)Nc3ccccc3C)c2C)C1=O 2324412754 YIQCAXAAKFARGH-SFHVURJKSA-N 443.499 5.334 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(O[C@H](C)C(=O)Nc4cc(C)ccc4C)c3C)C2=O)cc1 2324456235 ZFIBSOIJFOAPBO-HXUWFJFHSA-N 441.527 5.942 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)c(OC)c1 2324477986 BKBFFRMCZXSFEE-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OCC(=O)NCc3ccco3)c(Cl)c2)c(C)c1 2324545936 DSTVXFSOQDZMIF-UHFFFAOYSA-N 437.923 5.450 30 10 IKEE CC(C)c1ccc(-c2csc([C@H](C#N)C(=O)C(=Cc3ccccc3)c3ccccc3)n2)cc1 2324648221 SPKPHMPWBAVDMC-AREMUKBSSA-N 448.591 7.351 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1ccc(F)cc1)C2=O 2325142163 SBXFNEPLQMQARZ-GOSISDBHSA-N 445.490 5.773 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccccc1C(=O)O 2325603437 DZRNDQDKJPWFLA-UHFFFAOYSA-N 435.336 5.020 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccc(C)o2)C3=O)cc1 2325622972 NPSXJSZXAKIILV-INIZCTEOSA-N 445.515 6.044 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)[C@H](C)c3ccccc3)c2)cc1C 2325713794 UVDPXOOSIASQAS-LJQANCHMSA-N 430.500 5.617 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1cccnc1 2325904599 FFDGOACZNYBLHD-UHFFFAOYSA-N 435.597 5.408 30 10 IKEE Fc1ccccc1CSc1nnc(COc2ccccc2Cl)n1N=Cc1ccc[nH]1 2327658698 ZEJMFBIUMCCSGF-UHFFFAOYSA-N 441.919 5.152 30 10 IKEE Cc1ccc(C=Nn2c(CCc3cccs3)nnc2SCc2ccccc2C)cc1 2329636238 BQFLENMJDOLUGT-UHFFFAOYSA-N 432.618 5.916 30 10 IKEE CCc1ccc(C=Nn2c(CCc3cccs3)nnc2SCc2ccccc2)cc1 2329662201 CFCLRZDLYCMVIZ-UHFFFAOYSA-N 432.618 5.862 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc[nH]1 2329764003 HTBMIUYTSUCTLQ-UHFFFAOYSA-N 441.535 5.664 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2ccc(O)c(O)c2)cc1 2329938756 QLIPZQFVFMPEBF-UHFFFAOYSA-N 444.560 5.071 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(F)c3)n2N=Cc2sccc2C)cc1 2329956076 NSPDIMNVFNGTAL-UHFFFAOYSA-N 436.581 5.861 30 10 IKEE CCCSc1nnc(CCc2ccccc2)n1N=Cc1ccc(Br)cc1 2330202577 ITPLHRFKPXKTTE-UHFFFAOYSA-N 429.387 5.210 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2cccs2)n1N=Cc1ccc(Cl)cc1 2330335065 BPICSPHWHKJUEJ-UHFFFAOYSA-N 439.009 6.067 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2N=Cc2ccccc2)cc1C 2330537377 IQZUUKARDUERPW-UHFFFAOYSA-N 447.589 5.236 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(Cl)c1OC(=O)C(F)(F)F 2330651096 MBSIREAXNWLGOZ-UHFFFAOYSA-N 434.797 5.866 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)[C@@H]1[C@@H]2CCC(F)(F)[C@@H]21 2330656959 RGETUSGKVQLHID-VGWMRTNUSA-N 427.289 5.374 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3C)c(OC)c2)cc1OC 2330736101 SKGZXBKQZGTVRZ-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C2CCCC2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 2330812575 HECPGWZPFHUEFB-UHFFFAOYSA-N 434.275 5.893 30 10 IKEE CCCOc1cccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccccc2F)c1 2330844838 CCHWRWYDFQOGBK-UHFFFAOYSA-N 440.588 5.969 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H](C)c3ccccc3)c(OC)c2)cc1C 2330881106 UGNBZQZJZXAMJV-LJQANCHMSA-N 430.500 5.617 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)CC1CCCCC1 2330896036 BTMULPBUGYKLTE-UHFFFAOYSA-N 447.358 6.774 30 10 IKEE CCc1ccc(C(=O)Oc2c(OC)cc(C=CC(=O)c3ccccc3OC)cc2OC)cc1 2331057056 RMWIPGGEOBYCHA-UHFFFAOYSA-N 446.499 5.390 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2OC)cc(OC)c1OC(=O)c1ccccc1 2331080186 MGXPPCKKMCNHDZ-UHFFFAOYSA-N 428.484 5.548 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2cccc(C)c2)nnc1C(F)(F)F 2331122579 GJSGVLQBRMHSDX-UHFFFAOYSA-N 432.471 5.345 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(F)cc1F 2331154708 NYMSFUATAIQISY-UHFFFAOYSA-N 442.845 6.132 30 10 IKEE Oc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2-c2ccco2)cc1 2331232521 FBLQBXVHINWDBB-UHFFFAOYSA-N 428.876 5.211 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3)c(Br)c2)cc1 2331267031 YVSSMSAKTABPGU-UHFFFAOYSA-N 435.317 5.802 30 10 IKEE CCCOc1ccc(C=Nn2c(CCOC)nnc2SCc2ccccc2Cl)cc1 2331286847 QFTNEOOCYWRPJM-UHFFFAOYSA-N 444.988 5.084 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccccc2C)n1N=Cc1ccccc1Cl 2331328898 ZPLQNOVIHHXXCK-UHFFFAOYSA-N 441.988 5.196 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)c1cc(C)cc(C)c1 2331334854 PVEUEBAEUBSNQY-UHFFFAOYSA-N 448.490 5.883 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)c1ccc(C)cc1 2331531143 GSOIYFFCFXEBEG-UHFFFAOYSA-N 438.882 6.302 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2cc(OCC)ccc2OCC)cc1[N+](=O)[O-] 2331678829 ULAHOXNGDAEGMR-UHFFFAOYSA-N 441.480 5.384 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)Cc2ccc(C)cc2)cc1 2331752367 DXRQGHDKWNCZCM-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc3c(c2)OCO3)cc1 2331786943 GTXQQMFAIHBNEI-UHFFFAOYSA-N 442.511 6.137 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)C2CCC2)c(Br)c1 2331876824 MXGNEHDOSRAZLX-UHFFFAOYSA-N 449.728 5.713 30 10 IKEE CC(C)c1ccc(Cn2nnc(C#N)c2NC(=O)C(=Cc2ccccc2)c2ccccc2)cc1 2332148707 BANFPKCFURKCMZ-UHFFFAOYSA-N 447.542 5.501 30 10 IKEE C=CCn1c(SCc2cccc(Cl)c2)nc2scc(-c3ccc(C)cc3)c2c1=O 8950525 LOZYSJVWXMSNMD-UHFFFAOYSA-N 439.005 6.565 30 10 IKEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 9993305 KBUZBABDLMXTCF-FQEVSTJZSA-N 446.915 5.733 30 10 IKEE CCc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(OC)c2O)cc1 21247203 JTYOALNOSIFUCN-XHCCPWGMSA-N 440.543 5.943 30 10 IKEE CCOc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(CC)cc2)C3)c1 21253328 AQDZSYXNTYIEKJ-PZGXJGMVSA-N 438.571 6.627 30 10 IKEE O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cccc(NC(=O)c2ccco2)c1 28357376 UVOWFWFPAMDGAU-ZRDIBKRKSA-N 428.400 5.596 30 10 IKEE O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2cccs2)Oc2ccc(Br)cc21 39842494 UQSZSKHZNTYZQS-ODLFYWEKSA-N 449.329 5.980 30 10 IKEE C=Cc1ccc(COc2ccc3c(c2C)O/C(=C\c2cn(CC)c4ccccc24)C3=O)cc1 41504513 ZHHZOLAYNMYDIQ-YUMHPJSZSA-N 435.523 6.808 30 10 IKEE CCCCCCn1c2ccccc2c2nnc(N/N=C/c3ccc(OCCC)cc3)nc21 64981241 IYYIKCCSGQSPOA-NLRVBDNBSA-N 430.556 5.795 30 10 IKEE C/C(=N\OCc1ccccc1C)c1cc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)c1C 97629501 SOFNZQMCDJROMW-NDZAJKAJSA-N 430.498 6.980 30 10 IKEE CCCCCCCOc1ccc(CNc2ccccc2OCCCc2ccccc2)cc1 100037022 RAYBAACXFOGZCO-UHFFFAOYSA-N 431.620 7.660 30 10 IKEE CCCCCCCOc1ccc(NC(=O)CNc2ccc(C(=O)NCCCC)cc2)cc1 100097853 ATHPSHHQRCPMGF-UHFFFAOYSA-N 439.600 5.616 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1cccc(NC(=O)CC)c1 100444091 AYOMUFGESIFJIX-UHFFFAOYSA-N 433.662 6.549 30 10 IKEE C=C(C)[C@H]1CC[C@@]2(C=O)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@@H](O)CC[C@@]34C)[C@H]12 138754013 FELCJAPFJOPHSD-STIYEXJSSA-N 440.712 7.204 30 10 IKEE CCCCCCCCCCCCCCC[C@@H](OC(C)=O)[C@H](COC(C)=O)NC(C)=O 141299572 WZSNFVBDKZJHSX-BJKOFHAPSA-N 427.626 5.467 30 10 IKEE COc1cc(/C=N\Nc2nc3cc(C)ccc3[nH]2)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 169893436 FJJRXZAIFZVKKR-MXAYSNPKSA-N 445.479 5.122 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccc2OC)cc1 169941664 LTUFYBJHXGLMMA-DEOSSOPVSA-N 427.500 5.349 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccc(O)cc2)cc1 169958467 QKOMDVRCFIMGQC-QFIPXVFZSA-N 435.426 5.016 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccc(O)cc2)c1C 169961069 AHQALZJREWDORO-AREMUKBSSA-N 449.506 5.945 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccc(O)cc1)c1c[nH]c2ccccc12 169961188 MOJJCLKYZTUIKH-QFIPXVFZSA-N 444.874 5.310 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccc(F)cc2F)c1 169971274 SSUJIBNWTCZTQW-OAQYLSRUSA-N 439.845 5.710 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2cccs2)c1 169981811 QEBUIXBGTSLYMX-FQEVSTJZSA-N 439.920 5.583 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccncc1 170022243 PZZXWCUZEQTXRQ-HXUWFJFHSA-N 439.298 5.480 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2c[nH]c3ccccc23)c1 170076669 ZOYQOYAZZDVYGF-QHCPKHFHSA-N 426.472 5.156 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2c[nH]c3ccccc23)c1 170078356 YLWNXGDOWKIEJE-HSZRJFAPSA-N 430.504 5.088 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1cccc(O)c1)c1cc2ccccc2o1 170082600 LAVXTQLHFMMBJL-QFIPXVFZSA-N 447.393 5.200 30 10 IKEE CC(C)Oc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccco2)cc1 170095135 URDBBNDDJJLMMO-DEOSSOPVSA-N 431.488 5.169 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2c2ccccc2)cc1 170113427 LJVVXJQRKAMHDC-DEOSSOPVSA-N 443.499 5.265 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2cccs2)cc1 170153935 VPDFSUNSAXAJMG-JOCHJYFZSA-N 449.528 5.328 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2cccs2)c1 170160464 URNVEVTZRMUNAU-QHCPKHFHSA-N 441.508 5.698 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccncc2)c1 170202734 SDUXAXXHWZDMQJ-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@H]1c1c[nH]c2ccccc12 170255136 QGGPJFAZSMBBLC-OAQYLSRUSA-N 438.911 5.208 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccc(O)c2)c1 170259583 JFVWVFCPNKIYEM-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2c2ccccc2)cc1 170265409 YWGRONGRQIQGOL-DEOSSOPVSA-N 443.499 5.049 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)[C@@H]2c2ccco2)c1C 170286095 AIRUYZLJDMUFGP-QFIPXVFZSA-N 447.874 6.079 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@H]2c2ccco2)cc1 170287309 KZUSPLLCNVPZBI-DEOSSOPVSA-N 439.467 5.614 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3cccc(OCC(C)C)c3)[C@@H]2c2ccco2)c1 170288932 GEEZTVRXRHJIAZ-QHCPKHFHSA-N 447.487 5.111 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2cccc(C)c2C)o1 170302445 VMTIHYKGFHMZLX-RUZDIDTESA-N 437.495 6.141 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2sccc2C)cc1 170315240 YGRFHCDJGCDUIA-QFIPXVFZSA-N 447.556 5.935 30 10 IKEE COc1cccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 170432339 SBJQRVMUDYXPFA-IBGZPJMESA-N 436.533 5.129 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2ccc(Oc3ccccc3)cc2)c1 170461050 LCBSNKUDJWEKST-XMMPIXPASA-N 427.500 5.912 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@@H]1c1ccc(C(C)(C)C)cc1 170467724 VRASYQLOIAXRTR-OAQYLSRUSA-N 435.520 5.228 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(OC(C)=O)c(OC)c1)N2 226698760 DOIJMOAFZJZRSY-MVOZIGHISA-N 449.591 6.796 30 10 IKEE O=C1/C(=C\C=C\c2ccccc2[N+](=O)[O-])CCCC/C1=C\C=C\c1ccccc1[N+](=O)[O-] 254579394 UVZRGIGWZSLUIN-GMOKHYINSA-N 430.460 6.226 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2sccc2C)c1OC 526491059 QLCCGBUOLOROIC-FQEVSTJZSA-N 432.501 5.003 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(Cl)cc2)c(OC)c1 526521362 LYRNYTUAYFLRQH-HSZRJFAPSA-N 446.890 5.286 30 10 IKEE CC(C)COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(O)cc2)c1 526604649 KLQHTTPFFZJFOK-RUZDIDTESA-N 440.499 5.356 30 10 IKEE CN(C1=C(Sc2ccc(Cl)cc2)C(=O)N(c2cccc(C#N)c2)C1=O)c1ccccc1 526688012 CQBUJRDLYCPTNG-UHFFFAOYSA-N 445.931 5.225 30 10 IKEE C=C(C)CN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Br)cc1 586125150 NWCXMOFJSROEQP-UHFFFAOYSA-N 448.304 5.235 30 10 IKEE COc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)c1ccc(C)c(C)c1 586257956 NFETUYFROZOKHV-UHFFFAOYSA-N 440.952 5.233 30 10 IKEE Cc1ccc(NC(=O)c2cnn3c2N[C@@H](c2ccccc2)C2=C3CC(C)(C)CC2=O)cc1 606630129 FEAZXSSEUBRUPI-QHCPKHFHSA-N 426.520 5.211 30 10 IKEE N#Cc1ccc(NC[C@@H]2CN(Cc3ccccc3)CC23CCC3)c(F)c1Br 693752476 RNVGQYIRNSVXLU-GOSISDBHSA-N 428.349 5.174 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@@](C)(C#N)Cc1ccc(Br)cc1 698901293 IIHRVNPPXLJAKL-OAQYLSRUSA-N 449.776 6.369 30 10 IKEE C=CCN(C[C@H](Cc1ccc(Br)c(F)c1F)NCCC)C(=O)OC(C)(C)C 701317357 HFJHLEZNZXWUEK-HNNXBMFYSA-N 447.364 5.061 30 10 IKEE COc1cccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc3c(c2)CCCC3)c1 917612569 ZHLIYCNOKXHWTE-UHFFFAOYSA-O 442.564 5.056 30 10 IKEE C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@@]2(C)[C@@H]1CCc1ccoc1CN1CCCC[C@H]1C 1565535503 KXDYHZVEOJTNPL-PNKDOQEBSA-N 441.656 6.539 30 10 IKEE O=C1/C(=C\c2c[nH]c3ccccc23)SC(=Nc2cccnc2Cl)N1c1ccccc1 1772734785 QWNSCEXMBZOZKF-XDXPSGJKSA-N 430.920 6.025 30 10 IKEE COc1cc(/C=C2/SC(=Nc3ccncc3Cl)N(C3CCCCC3)C2=O)ccc1O 1772735789 IFYTXGTVERBPLD-RLRFCYPDSA-N 443.956 5.386 30 10 IKEE CCc1ccc(/C=C2\SC(=Nc3ccncc3Cl)N(C3CCCCC3)C2=O)cc1 1772738903 XJOHZVKHPRMAJW-RNJGGXIZSA-N 425.985 6.234 30 10 IKEE CCc1ccc(N=C2S/C(=C/C=C\c3ccco3)C(=O)N2c2ccc(CC)cc2)cc1 1772742916 RJXXUGCFOVIERG-QBIFQJOBSA-N 428.557 6.769 30 10 IKEE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNc2ccc([N+](=O)[O-])cc2)CCC3)cc1C 1772748255 SZATZLMWZZMIHZ-UHFFFAOYSA-N 432.480 5.518 30 10 IKEE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1C(=NNc1ccc(F)cc1)CCC2 1772748745 FLOCHZURZDNKFF-UHFFFAOYSA-N 446.309 6.439 30 10 IKEE COc1ccc(C)cc1-c1c(C)sc2nc(C(C)C)n(Cc3cccc(C#N)c3)c(=O)c12 1857802229 ADGWGVLXNAHQGR-UHFFFAOYSA-N 443.572 5.794 30 10 IKEE CCCCCCCCCCN1C(=O)/C(=C\c2ccc(OCC)c(OC)c2)SC1=S 1858586812 VAQQSPLPEMYLBM-HEHNFIMWSA-N 435.655 6.436 30 10 IKEE CCCCCCCCCCNC(=O)c1c2c(nc3c(Br)cccc13)CCCC2 1859577843 RMIZJBTXQRCBPR-UHFFFAOYSA-N 445.445 6.747 30 10 IKEE CCCCCCCCNC(=O)Cc1noc2c(Br)cc(Br)cc12 1859664412 FPPSMIROHJRXHN-UHFFFAOYSA-N 446.183 5.372 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc(C(=O)N(Cc3ccccc3)c3ccccc3)n2)c1 1860581260 RJIGKDXGXISNLE-UHFFFAOYSA-N 432.483 5.053 30 10 IKEE CSc1ccc(/C=C/C(=O)C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 1860726012 MNMWZNGHAYYVMJ-MKMNVTDBSA-N 444.581 6.215 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)c1ccc(-c2ccccc2)cc1 1861474452 JRVXSJHZDDLJJP-MUUNZHRXSA-N 436.640 6.509 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CCOC(C)C)c1 1862380008 QRVPBUDFYISMEE-FQEVSTJZSA-N 448.346 5.305 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(O)cc1 1862381915 ITNCTCLXVFNOFP-LJQANCHMSA-N 434.319 5.468 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 1862394111 IUSRAODCCFFKSV-OAQYLSRUSA-N 444.358 6.077 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2cccc3ccccc23)cc1 1862398110 VSLFYYKLSXEXDI-RUZDIDTESA-N 427.544 6.169 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(F)cc1F 1862432715 LGCWFCFDBXPQNS-YIILKADPSA-N 445.893 5.775 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862477062 HVPVSZYTQLXNLN-RUZDIDTESA-N 431.576 6.420 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(Cl)cc2)ccc1F 1862503093 PKWMDAZQTPFHKN-QFIPXVFZSA-N 441.930 6.089 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2cccc(OC)c2)cc1 1862530526 RUSBJUQVLUUCFH-AVRWGWEMSA-N 441.527 5.597 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862531389 MQUIOGMLZZHXAN-VWLOTQADSA-N 447.619 6.705 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccccc1C 1862625991 RIIBKGDIGUXCTG-XMMPIXPASA-N 449.547 5.663 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862637260 DUPWBRAQCRVMOU-DEOSSOPVSA-N 445.490 5.175 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(C)cc1 1862648768 JMTSQCVXDQSKAI-RUZDIDTESA-N 427.544 6.307 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccccc2F)cc1 1862661761 GXLBXPGASFLYLE-VWLOTQADSA-N 449.566 6.640 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCC(C)C)cc1 1862695117 ANGNMWDWVGKAKH-QHCPKHFHSA-N 437.536 5.108 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccccc1C(=O)O 1862726892 RFBRHLUMIPYPFG-HSZRJFAPSA-N 441.483 5.040 30 10 IKEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@H]2c2ccc(C)cc2)cc1 1862731658 YZTLDHFRBRERLN-DEOSSOPVSA-N 435.564 5.942 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(F)cc3F)C2=O)cc1Cl 1862942662 ZUDAIUMNFBENPD-UHFFFAOYSA-N 449.844 5.195 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2Oc2ccccc2)=C(c2ccc(OCC)cc2)C1=O 1863211477 SSYZJDYUQZZTRF-UHFFFAOYSA-N 440.499 5.256 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(C)c(C)c2)=C(c2ccc(C)cc2)C1=O 1863262562 HZSZIYYVVRMDGR-UHFFFAOYSA-N 446.635 6.945 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccncc2)=C(c2ccc(OC(C)C)cc2)C1=O 1863696686 RTCFAFGDKKDBTI-UHFFFAOYSA-N 449.595 5.099 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H](C)c2ccccc2)=C(c2ccccc2Cl)C1=O 1863778362 JVIBOFQVVVVIOR-LJQANCHMSA-N 438.999 6.131 30 10 IKEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2CC)[C@@H]1c1cccs1 1864481411 JDACXJAJNQLVJC-FQEVSTJZSA-N 444.645 5.088 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1cc(OC)c(OC)cc1N 1866029906 OGKJHLCQQLNRJW-UHFFFAOYSA-N 434.665 7.486 30 10 IKEE Cc1ccc2c(c1)CCN(c1cc(Nc3cccc(C#N)c3)nc(C(C)C)n1)[C@H]2CC(C)C 1868221379 KVJNYCRSARVAJA-VWLOTQADSA-N 439.607 6.674 30 10 IKEE C=CCOc1cn(Cc2ccccc2C)c(CNc2ccc(Br)cc2)cc1=O 1870809489 FZQCXMPNZXSWGS-UHFFFAOYSA-N 439.353 5.144 30 10 IKEE C=CCOc1cn(CCCOCCCC)c(CNc2ccc(C(F)(F)F)cc2)cc1=O 1870810449 CXLDQXLUCWNSGZ-UHFFFAOYSA-N 438.490 5.251 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)cc2)c(=O)cc1CNc1ccc(OC)c(Cl)c1 1870861763 SUSQLENVXGNMQI-UHFFFAOYSA-N 445.346 5.541 30 10 IKEE C=CCn1cc(OCc2ccc(C(C)C)cc2)c(=O)cc1CNc1ccc(OCC)cc1 1870897879 STSKOGJJBXIEIV-UHFFFAOYSA-N 432.564 5.748 30 10 IKEE C#CCOc1cn(CCCCCCCC)c(CNc2ccc(C(F)(F)F)cc2)cc1=O 1871006887 AEANFASNSWDZGO-UHFFFAOYSA-N 434.502 5.852 30 10 IKEE CCCCCCCCn1cc(OCCCC)c(=O)cc1CNc1ccc(OC)c(Cl)c1 1871110701 DHGCPMFPSLLHJO-UHFFFAOYSA-N 449.035 6.662 30 10 IKEE COc1ccc(CCN2COc3cc(C)c4c(c3C2)O/C(=C\c2cccs2)C4=O)cc1 1871344260 AOLMYEDPWDDWEK-XKZIYDEJSA-N 433.529 5.076 30 10 IKEE Cc1cc(C)cc(OCCN2COc3ccc4c(c3C2)O/C(=C\c2cccs2)C4=O)c1 1871347138 AXNYHOJXSIAVBG-QRVIBDJDSA-N 433.529 5.212 30 10 IKEE Cc1cccc(CN2COc3c(cc4c(c3C)O/C(=C\c3ccc(Cl)cc3)C4=O)C2)c1 1871359319 KDIPLAYIAJKLKX-KSEXSDGBSA-N 431.919 5.925 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)/C(Cl)=C/c4ccccc4)cc(C)c3C2=O)cc1 1871377687 YQGVDUDFJIDEKN-GOIUUMNHSA-N 446.886 5.805 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccc(F)cc4)ccc3C2=O)cc1 1871401142 UZXSFAIXSNXOJB-YMKHCOABSA-N 445.490 5.971 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(O[C@H](C)C(=O)Nc4ccccc4C)c3C)C2=O)c1 1871409392 MYPYYSAPMXYLBK-YPFLROGLSA-N 427.500 5.634 30 10 IKEE COc1ccc(C)cc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(C)cc1)C2=O 1871428568 JGFZORXYSNWNCE-OYKKKHCWSA-N 443.499 5.254 30 10 IKEE CCCCCCCCCOc1cc(C)c2c(c1)O/C(=C\c1cc(OC)ccc1OC)C2=O 1871429476 IZIIYAQNTZRTQR-UQQQWYQISA-N 438.564 6.758 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(C(C)(C)C)cc2)cc2c1C(=O)/C(=C/c1ccccc1)O2 1871444812 ABNXUEZMQRTSAJ-IWIPYMOSSA-N 441.527 5.926 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1cccs1)C2=O)Nc1ccc(Cl)c(Cl)c1 1871458681 YXZZCZCNGDTJCD-GRSHGNNSSA-N 446.311 5.689 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)c(Cl)c1)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1871810135 ATFITTJUKVXETM-JTSKRJEESA-N 449.016 5.269 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(CC)cc1)C(C)C)S(=O)(=O)c1c(C)cc(C)cc1C 1872078567 BXTJZNPUXDRSLX-QHCPKHFHSA-N 442.625 5.014 30 10 IKEE N#C[C@@H](C(=O)COc1ccc(Cl)cc1Cl)c1nc(-c2cccc(Cl)c2)cs1 1872767024 RQCQTXLTDXVNKY-AWEZNQCLSA-N 437.735 6.026 30 10 IKEE N#C[C@@H](C(=O)CCCOc1ccccc1Cl)c1nc(-c2ccc(F)cc2F)cs1 1872767338 QUCXWESCQABWHG-HNNXBMFYSA-N 432.879 5.777 30 10 IKEE Cc1cccc(C)c1OCCCC(=O)[C@@H](C#N)c1nc(-c2ccc3c(c2)OCO3)cs1 1872773617 SIARZPOKKVITGA-GOSISDBHSA-N 434.517 5.191 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C(=O)OC)c2)=C(c2ccccc2)C1=O 1873414961 BQEYUNSIDVAULB-UHFFFAOYSA-N 434.536 5.026 30 10 IKEE CCCCCCCCNC(=O)c1cc2c(N3C[C@@H](C)C[C@@H](C)C3)ncnc2n1CC(C)C 1873577372 OHVRKXKRZCFLNS-OYRHEFFESA-N 441.664 5.660 30 10 IKEE CCCCCCCCNC(=O)c1cc(-c2ccc(OC)cc2)n2nc3ncccc3c2n1 1873886342 QXAVYDODCTYKMY-UHFFFAOYSA-N 431.540 5.043 30 10 IKEE CCCCCCCCNC(=O)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 1873886465 WNJJSISUEBNOHA-SANMLTNESA-N 446.635 6.610 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccc(Cl)cc3C)c(=O)oc2c1C 1873903305 RKMIZCKPAYZSDB-UHFFFAOYSA-N 425.912 5.508 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1cccc(O)c1 1874224518 OWAYVFKHFPGFNE-PCLIKHOPSA-N 436.581 5.108 30 10 IKEE C(=N/n1c(CCc2cccc3ccccc23)nnc1SCc1ccccc1)\c1ccco1 1874232190 QNHMNMJWELKQSU-OVVQPSECSA-N 438.556 5.984 30 10 IKEE Cc1ccc(CSc2nnc(CCCOc3ccc(C)cc3)n2/N=C/c2ccco2)cc1 1874250824 XXUDRKNGKUZCKQ-YZSQISJMSA-N 446.576 5.674 30 10 IKEE CCCc1ccc(OCc2nnc(SCc3cccc(C)c3)n2/N=C/c2ccco2)cc1 1874257634 KSTJWSGXQIBJTN-WGOQTCKBSA-N 446.576 5.886 30 10 IKEE COc1ccccc1OCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccccc1 1874289640 OKZHNOLNIRULQY-CVKSISIWSA-N 448.523 5.179 30 10 IKEE CCCOc1c(/C=N/n2c(CCc3cccs3)nnc2SCCC)cccc1OC 1874372018 DMKFCBRJLFHCTC-XQNSMLJCSA-N 444.626 5.307 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2ccc(F)cc2F)cc1 1874389677 YVTBRIAACDKHST-JFLMPSFJSA-N 434.515 5.630 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2F)n1/N=C/c1cccc(O)c1 1874395881 XSWLMHFXOCRJDE-CIRUFVMISA-N 432.524 5.449 30 10 IKEE C=CCSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1cccc(OC)c1OCCC 1874400065 HXHHBWRCTHRPMS-WLXKGNRNSA-N 436.581 5.388 30 10 IKEE COc1ccccc1/C=N/n1c(Cc2cccs2)nnc1SCc1cc(C)ccc1C 1874412424 NTPCGHKDKYDHTG-MFKUBSTISA-N 448.617 5.730 30 10 IKEE C=CCSc1nnc(C(F)(F)F)n1/N=C/c1ccc(OCc2ccc(C)cc2)cc1 1874461693 AWLNQXAXHVMCJI-DHRITJCHSA-N 432.471 5.345 30 10 IKEE Fc1ccccc1/C=N/n1c(SCc2ccc(Cl)c(Cl)c2)nnc1C(F)(F)F 1874463165 WBKUOUGGXIFAIZ-KTZMUZOWSA-N 449.260 5.917 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccco3)n2/N=C/c2ccc(C(F)(F)F)cc2)c1 1874465577 PTUHYWPELRRXEC-LGJNPRDNSA-N 442.466 6.040 30 10 IKEE O=C(O)c1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2-c2ccco2)cc1 1874467425 IIDYZTFBOUYZIN-FSJBWODESA-N 438.896 5.064 30 10 IKEE COCCc1nnc(SCc2cccc(F)c2)n1/N=C/c1c(Cl)cccc1Cl 1874472034 JRCLIDAYIMSAGO-FOKLQQMPSA-N 439.343 5.087 30 10 IKEE CCCOc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2cccc(Cl)c2)cc1 1874491526 VYYXFKOEASCVQU-MFKUBSTISA-N 443.016 6.093 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(C(C)(C)C)cc1 1874528863 FMTFHSLNRINTSX-DHRITJCHSA-N 430.980 6.105 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/n2c(S)nnc2CC(C)C)c(Cl)c1 1874559329 KXIYRYVIITWAQV-LFVJCYFKSA-N 437.053 6.430 30 10 IKEE O=C(/C=C/c1ccccc1OCc1nc(O)c2ccccc2n1)c1ccc2c(c1)CCCC2 1874572036 SSCNOPSQHCXSCM-FOCLMDBBSA-N 436.511 5.689 30 10 IKEE C=CCOc1c(/C=C/C(=O)c2ccc(CCCC)cc2)cc(Br)cc1OC 1874573865 JATWVMVYDVLLIJ-OUKQBFOZSA-N 429.354 6.261 30 10 IKEE CCOc1c(Br)cc(Br)cc1/C=C/C(=O)c1ccc(F)c(C)c1 1874581256 DPSVWWZUOIYTIU-FNORWQNLSA-N 442.122 5.954 30 10 IKEE COC(=O)c1ccc(COc2ccc3ccccc3c2/C=C/C(=O)c2ccc(F)cc2)o1 1874583745 DQSXBBVBEQNDCR-OUKQBFOZSA-N 430.431 5.834 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cccc(OCC(=O)Nc2cccc(C)c2)c1 1874599644 XJMGYWPALINJMZ-VAWYXSNFSA-N 429.516 5.534 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Cl)c(OCc3cc(C)ccc3C)c(OC)c2)c1 1874605022 OHFWCKWWGREMRQ-ZHACJKMWSA-N 436.935 6.449 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)cc2)cc1C 1874607549 SZSLVQKVENTNIH-YRNVUSSQSA-N 429.516 5.534 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-])Nc1ccccc1 1874614797 ZGPTULZLTLOCRD-WUXMJOGZSA-N 436.851 5.162 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OCc2nc(O)c3ccccc3n2)cc1 1874620042 GANAPATUTIUNPQ-JLHYYAGUSA-N 426.472 5.128 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(OC)c1OCc1ccccc1F 1874626039 IYNJZRBZEYXSII-JXMROGBWSA-N 428.406 5.596 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3ccccc3CC)c2)cc1 1874695934 ZSYRKTOVEJWGNN-KNTRCKAVSA-N 442.555 6.472 30 10 IKEE CCCOc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccccc3OC)c2)cc1 1874698618 GABNUHWXGPOXLO-DTQAZKPQSA-N 430.500 5.528 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OC(=O)C1CCC1 1874704071 VWUZCSSXZCUPCU-VQHVLOKHSA-N 447.300 5.507 30 10 IKEE CCCCCCC(=O)Oc1cccc(/C=C/C(=O)c2cc(Cl)c(OC)cc2OC)c1 1874713551 CHTLKWBWEOMAMK-OUKQBFOZSA-N 430.928 6.129 30 10 IKEE Cc1cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)cc2)ccc1[N+](=O)[O-] 1875096929 LMSCMKJZPIVIBG-OVCLIPMQSA-N 441.483 5.897 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OC(=O)c1ccc(F)c(F)c1 1875115180 QDXYPKPEPQJNMB-UUILKARUSA-N 438.426 5.487 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2Cl)c(Cl)c1)c1cccc(Cl)c1 1875121249 HGZDNMNFDBIQNV-CSKARUKUSA-N 431.702 6.762 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)c1ccc(F)cc1 1875137796 FKPQVUVXZXUOFZ-KPKJPENVSA-N 434.463 5.575 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C(F)(F)F)cc3)cc2)cc1 1875156249 RECKCVLXSDUHBB-FZSIALSZSA-N 438.445 6.944 30 10 IKEE C=CCn1c(C(=O)N(CCCC)CCCCCC)cc2c(NCc3ccco3)ncnc21 1875229159 RAFFLIWYUKGFIL-UHFFFAOYSA-N 437.588 5.645 30 10 IKEE N#C[C@]1([C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C[C@H]2CC[C@H]1O2 1875689764 LMGPPJOLCFWZEI-NNTQFHGGSA-N 441.527 5.339 30 10 IKEE C#Cc1c(C)c(CC(=O)O)c(C)c(NC(=O)OCC2c3ccccc3-c3ccccc32)c1C 1887514353 HHBNCXVXVDSQFS-UHFFFAOYSA-N 439.511 5.581 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3oc4c(C)c(OC)ccc4c3C)ccc21 1890928292 DBLULOYRZGEPMZ-UHFFFAOYSA-N 448.519 5.248 30 10 IKEE Cc1ccc2c(C(=O)N3CCC[C@H](COc4cc(C#N)ccn4)C3)cc3c(C)cccc3c2c1 1891814904 KJHKIPZUPXSSAD-QFIPXVFZSA-N 449.554 5.808 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@](C#N)(N(Cc1ccccc1)C(=O)OC(C)(C)C)C2 1893009632 MZOSYGUDAGSAEM-ZYLNGJIFSA-N 441.572 5.105 30 10 IKEE C=C(COCc1ccccc1)C(=O)c1cc(Cl)c(NC(=O)OC(C)(C)C)c(Cl)c1 1922086168 OEXCQIUNLSSOTQ-UHFFFAOYSA-N 436.335 6.296 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@H](C#N)[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2017960064 ZNKYPRSLIFPLPG-SJLPKXTDSA-N 449.617 5.413 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccccc2)cc1 2027946801 CCZZRHURTPBXIW-RUZDIDTESA-N 437.540 6.214 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCCC[C@@H]1NC(=O)OC(C)(C)C 2031500588 XNFXOUZFROQLAL-NBGIEHNGSA-N 443.588 5.856 30 10 IKEE Cc1ccccc1N=C1c2ccccc2C2=NC(=O)N[C@@](c3ccccc3)(C(F)(F)F)N21 2059612045 QGYNENHHFQBMHD-HSZRJFAPSA-N 434.421 5.274 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2071501012 MEOPFIBTHNFAOQ-AOUJKTHWSA-N 447.620 5.628 30 10 IKEE COc1ccc([C@H](n2nc(C(C)(C)C)c(C=NO)c2Br)C(C)(C)C)c(C)c1 2079928757 KYMYEGUUOJBQFV-SFHVURJKSA-N 436.394 5.704 30 10 IKEE Cc1ccc([C@@H](C2CCC2)n2nc(C(F)(F)F)c(C#N)c2Br)c(F)c1F 2079950624 HSDIQNUMPNIQDA-CQSZACIVSA-N 434.206 5.512 30 10 IKEE ON=Cc1c(C2CCC2)nn([C@@H](c2ccc(C3CCC3)cc2)C2CCC2)c1Br 2079957005 IUIXBTZVEBFZBP-JOCHJYFZSA-N 442.401 6.378 30 10 IKEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cccc(Br)c1Cl 2081393191 VSFJWUQOFCMDSH-RDJZCZTQSA-N 429.786 5.060 30 10 IKEE CCc1cc(Br)c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(C)cc2)s1 2089744678 ZZGJTDNEKICSSD-QGZVFWFLSA-N 435.387 6.388 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](Nc2ccc(C#N)c(Br)c2F)CCC1(C)C 2105998093 YWKZRHOXOULFMC-CYBMUJFWSA-N 426.330 5.050 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(OCCNc2cc(Br)cc(C#N)c2)cc1 2162413725 KISZKXNMFZRTRM-UHFFFAOYSA-N 432.318 5.159 30 10 IKEE CC[C@@H]1CC=C(C(=O)[C@@H](Cc2ccccc2Br)NC(=O)OC(C)(C)C)CC1 2237429104 XOKVIPBRNJKBHG-DNVCBOLYSA-N 436.390 5.591 30 10 IKEE CCCCCCCC[C@H](NC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248457579 DIZMEVSZQCUBDM-QHCPKHFHSA-N 432.649 5.779 30 10 IKEE Cc1sc(C(=O)N(Cc2ccccc2)[C@@H](C)C(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255608423 LHRRCXQMJGEHNC-SFHVURJKSA-N 441.446 5.433 30 10 IKEE N[C@H](C#Cc1ccc(Br)cc1)c1ccc(Br)c(Br)c1 2278734230 BXMNIXMSBLWKSF-OAHLLOKOSA-N 443.964 5.026 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]([C@@H](C)CC)N(C)C(=O)OC(C)(C)C 2296221365 HYLICYZNVJCQEY-PWIZWCRZSA-N 437.422 5.060 30 10 IKEE CC(C)[C@H](CCNC(=O)OC(C)(C)C)CCC(=O)C#Cc1ccc(Br)cc1 2296288606 JBCUHWKKBQVXBA-SFHVURJKSA-N 436.390 5.337 30 10 IKEE CCN1C(=O)C(=C2Sc3ccccc3N2C)SC1=Nc1ccc(Br)cc1 2297550124 ZQOYXVICUFAESV-UHFFFAOYSA-N 446.395 5.443 30 10 IKEE O=C1C(=Cc2ccc(O)cc2)SC(=NN=CC=Cc2ccccc2)N1Cc1ccco1 2314840879 GSIBOBZPACPVGE-UHFFFAOYSA-N 429.501 5.157 30 10 IKEE Cc1ccc2nc(-c3ccc(NC(=O)C(=O)C=Cc4cc(F)ccc4F)cc3)sc2c1 2318788598 NREIPVNDDUUIMH-UHFFFAOYSA-N 434.467 5.771 30 10 IKEE Fc1cccc(Cl)c1C=Nn1c(SCc2c(F)cccc2Cl)nnc1C1CC1 2320922061 WVRSKTNGRMLPLW-UHFFFAOYSA-N 439.318 5.915 30 10 IKEE Cc1ccc(C)c(COc2cc(C)c3c(c2)OC(=Cc2ccccc2Br)C3=O)c1 2321755730 DYPJIQPZIMSKIX-UHFFFAOYSA-N 449.344 6.570 30 10 IKEE Cc1ccc(C)c(COc2ccc3c(c2C)OC(=Cc2ccc(Cl)c(Cl)c2)C3=O)c1 2321758097 MYRPAYBZPBYKPK-UHFFFAOYSA-N 439.338 7.114 30 10 IKEE CCc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCc2ccc(F)cc2)C4)cc1 2321937208 YBWSMZKBRIIFNV-UHFFFAOYSA-N 443.518 5.707 30 10 IKEE O=C1C(=Cc2c(Cl)cccc2Cl)Oc2c1ccc1c2CN(Cc2cccnc2)CO1 2321968544 CBGMPWRDBUQHAM-UHFFFAOYSA-N 439.298 5.357 30 10 IKEE Cc1ccc(COc2cccc(C=Nn3c(S)nnc3COCc3ccccc3)c2)cc1 2322016182 UQXKHKARLXGLBX-UHFFFAOYSA-N 444.560 5.053 30 10 IKEE CCCNC(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccc2c(c1)CCCC2 2322333393 QFAKCFVFOBQSGB-UHFFFAOYSA-N 427.544 5.520 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc(OC(=O)c3ccc(OC)cc3)c2C)C1=O 2322687636 GPYATIWYWOBSAC-UHFFFAOYSA-N 430.456 5.238 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OC(=O)c4cc5ccccc5o4)c3C)C2=O)cc1 2322840664 HWHXNKHKBWKDAX-UHFFFAOYSA-N 426.424 5.585 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2)c(C)c1 2322948916 SOLJVRKOXMAZIG-UHFFFAOYSA-N 425.355 7.394 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1cccc(C=CC(=O)c2ccc3c(c2)CCCC3)c1 2323057617 QFDXUDQLOXBDSW-UHFFFAOYSA-N 439.555 6.096 30 10 IKEE CCCCCCCC[C@](C)(C(=O)O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 2323299957 JWRYALZKBGFCRH-MUUNZHRXSA-N 438.656 6.215 30 10 IKEE Cc1c(OC(=O)Cc2ccc(Cl)c(Cl)c2)ccc2c1OC(=Cc1ccccc1)C2=O 2323419629 FFFCLWAEHHNMLC-UHFFFAOYSA-N 439.294 6.066 30 10 IKEE Cc1cc(OC(=O)C=Cc2cccc([N+](=O)[O-])c2)cc2c1C(=O)C(=Cc1ccccc1F)O2 2323435718 UVDIMGSRVGDMHI-UHFFFAOYSA-N 445.402 5.277 30 10 IKEE COc1ccc(OC)c(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2cccs2)C3=O)c1 2323489730 CMRMDIWMCRNKMF-UHFFFAOYSA-N 448.496 5.309 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1cccc(C)c1 2323532194 UIRLFSAXBLTZHT-UHFFFAOYSA-N 441.354 7.176 30 10 IKEE CCCOc1c(OC)cc(C=NNc2nc(-c3ccc(F)cc3)cs2)cc1[N+](=O)[O-] 2323865400 XVTGHSJLTDMGCZ-UHFFFAOYSA-N 430.461 5.101 30 10 IKEE COc1cc(Cl)c(C)cc1NC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1)C2=O 2324904444 IDTCIOSXDVPMPF-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1ccc2c(c1)OC(=Cc1ccccc1OC)C2=O 2325092610 YLUDJRIMZFKNQX-NRFANRHFSA-N 438.520 5.592 30 10 IKEE C=CCOC(=O)c1sc(NC(=O)C(=Cc2ccc(OCC)cc2)c2ccccc2)nc1C 2325424628 IZCHNJLMLBXSMF-UHFFFAOYSA-N 448.544 5.372 30 10 IKEE CCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(OC(C)C)c(OC)c1 2325610152 IVDDWXIQUBKBNY-UHFFFAOYSA-N 444.988 5.464 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3c(C)ccc(C)c3C)c2)cc1C 2325714569 MGVNTJVWPSOBTM-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(-c3ccccc3)cc2)c1)c1cccc(Cl)c1 2325728401 SGUOQHLKRRHVPC-UHFFFAOYSA-N 438.910 7.122 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccc(C)c(Cl)c4)c3C)C2=O)c1 2325729794 WDCKLGQIRLUUFI-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3cccc(C=CC(=O)c4ccc(C(C)C)cc4)c3)c(C)c2c1 2325750787 IQADHCQIDQXPIT-UHFFFAOYSA-N 437.539 7.023 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccccc2Br)c1)c1ccc(F)cc1 2325751291 POJUHSBXPZPANI-UHFFFAOYSA-N 425.253 5.704 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)COc3ccc(Cl)cc3)c2)c(C)c1 2325764792 UIUSNMBCIJAJRE-UHFFFAOYSA-N 434.919 6.146 30 10 IKEE CSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1ccccc1Cl 2325911073 VMMGOTGUYRWZRQ-UHFFFAOYSA-N 427.744 5.421 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1cccc(OC(C)C)c1 2326697811 DIZYFPQDFWAXSF-UHFFFAOYSA-N 435.380 5.855 30 10 IKEE CSc1nnc(COc2ccccc2Cl)n1N=Cc1c(Cl)cccc1Cl 2327601367 CDYGRGHNXGTMOP-UHFFFAOYSA-N 427.744 5.421 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)cc2C)n1N=Cc1ccc(N(C)C)cc1 2328897844 FXDOHODFSUFQPA-UHFFFAOYSA-N 435.597 5.090 30 10 IKEE CCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1c(Cl)cccc1Cl 2329097295 YAJZHDWGIBBJNV-UHFFFAOYSA-N 425.772 5.823 30 10 IKEE C=CCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1cccc(OCCC)c1 2329112704 NHYZPYRLDADGQY-UHFFFAOYSA-N 426.973 5.471 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OC)cc2)n1N=Cc1ccc(C(C)(C)C)cc1 2329272059 XIQSMTYFKCGDLH-UHFFFAOYSA-N 434.609 5.725 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(F)c3)n2N=Cc2ccc(O)cc2)cc1C 2329407684 YMHDEEWJLCUBQP-UHFFFAOYSA-N 446.551 5.505 30 10 IKEE COc1cccc(C=Nn2c(CCc3cccs3)nnc2SCCc2ccccc2)c1 2329668883 PLQJSPPDJGIGMW-UHFFFAOYSA-N 448.617 5.350 30 10 IKEE CCCSc1nnc(Cc2ccc(F)cc2)n1N=Cc1ccc(OC(C)C)c(OC)c1 2329854549 HMWSHOXITBSXCQ-UHFFFAOYSA-N 442.560 5.188 30 10 IKEE Cc1ccc(C=Nn2c(SCCc3ccccc3)nnc2[C@H](C)c2ccccc2)cc1 2330110944 ADRXHVCFUACSAD-OAQYLSRUSA-N 426.589 5.955 30 10 IKEE C(=Nn1c(CCc2ccccc2)nnc1SCc1ccccc1)c1cccc2ccccc12 2330194021 FFSGVLMAGGAVLW-UHFFFAOYSA-N 448.595 6.391 30 10 IKEE CCCCCCOc1ccc(C=Nn2c(SC)nnc2-c2cccs2)cc1OC 2330522317 YRKDFJADQIHWNT-UHFFFAOYSA-N 430.599 5.578 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)CCCC4)cc2Cl)c1 2330683347 UGEHGCVXCKZHKP-UHFFFAOYSA-N 446.930 6.343 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3cccnc3)c(OC)c2)cc1 2330825997 VOQCCBBMEIYSME-UHFFFAOYSA-N 445.515 5.557 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CC3CCCCC3)c(Cl)c2)cc1C 2330860299 SFUCEZWGKYYDHP-UHFFFAOYSA-N 426.940 6.429 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2[C@H]2CCCO2)cc1 2330935316 WBFAMGCXBIFDAI-OAQYLSRUSA-N 440.544 5.232 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)c1ccccc1C 2331142459 UQIAOXDERSKRAH-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE C=CCSc1nnc(C(F)(F)F)n1N=Cc1ccc(OCCCCC)c(OCC)c1 2331143883 CASNHCQPJAFMPA-UHFFFAOYSA-N 442.507 5.425 30 10 IKEE FC(F)(F)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccccn1 2331154856 TWOYKHWNZWOKER-UHFFFAOYSA-N 432.258 5.173 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2Cl)c1 2331224378 YAKHBHBSRINFGJ-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1 2331238661 JKTJVHKQHBAFFX-UHFFFAOYSA-N 429.274 6.177 30 10 IKEE CCCC(=O)Oc1c(OCC)cc(C=CC(=O)c2cccc3ccccc23)cc1[N+](=O)[O-] 2331478393 FHTDXWLTSDVNJV-UHFFFAOYSA-N 433.460 5.748 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OC(=O)C(F)(F)F 2331552257 IHCZFUXANCPGSJ-UHFFFAOYSA-N 436.426 5.365 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1Br 2331616260 AJWMUEFUNHLYHS-UHFFFAOYSA-N 445.353 6.066 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)Cc1cccs1 2331711517 UNWUEJQRJIECKN-UHFFFAOYSA-N 446.568 6.146 30 10 IKEE N#Cc1ccc(Cl)cc1NCc1ccc(I)c(Br)c1 2349842417 YEYYSEFJWYYQEI-UHFFFAOYSA-N 447.501 5.191 30 10 IKEE C[C@@H]1[C@@H](C)N(Cc2ccccc2)[C@H](C)CN1c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2365059353 PACQSMIBNPYWKD-XBFMZZRVSA-N 447.432 5.214 30 10 IKEE Cc1cccc(C(=O)Oc2ccc(/C=N/c3ccc(Br)cc3)cc2[N+](=O)[O-])c1 3089528 ZJMGXLJNSDMHLY-YDZHTSKRSA-N 439.265 5.636 30 10 IKEE C=CC/N=c1\scc(-c2ccc(Cl)cc2Cl)n1/N=C/c1ccc2c(c1)OCO2 3285778 HYOZYQPGVIKPEV-VRHKGWOZSA-N 432.332 5.221 30 10 IKEE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)Nc1cccc(Cl)c1Cl 14092506 KQEXIFIGOXIQEE-UHFFFAOYSA-N 447.391 5.287 30 10 IKEE CCCCOc1ccc(/C=C2\S/C(=N\c3ccc(C)cc3O)N(CC)C2=O)cc1OC 16933571 DINSNRXXLLEIKU-YWROOUKNSA-N 440.565 5.512 30 10 IKEE COc1ccc(/C=C2/Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc3C2=O)cc1OC 35386650 BKKUNXIMIZBHFR-WSDLNYQXSA-N 436.847 5.193 30 10 IKEE COc1ccc(/C=C2\S/C(=N/c3cccc(C)n3)N(C3CCCCC3)C2=O)cc1OC 39863616 NBNJEVXUEXEMEG-SYUAUQEVSA-N 437.565 5.344 30 10 IKEE C=CCc1ccc(OCCn2c(COc3cccc(OC)c3)nc3ccccc32)c(OC)c1 40234556 FCZJNDUPWUXSBM-UHFFFAOYSA-N 444.531 5.440 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccccc3Cl)n2)cc1 59015109 VCJKOBJAUDBIKU-CHOFVFFHSA-N 442.976 5.148 30 10 IKEE C=CCn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nnc1-c1ccoc1C 60384042 NGHJWBNYOMXGNZ-UHFFFAOYSA-N 442.629 5.619 30 10 IKEE CCc1ccccc1N=C1S/C(=C\c2ccc(C)cc2)C(=O)N1c1ccccc1CC 83313528 VXHMWLUKQHOKRS-SBEYKLCGSA-N 426.585 6.928 30 10 IKEE Cc1ccc(-c2nc3scc(-c4cccs4)c3c(=O)n2Cc2cccc(C#N)c2)cc1 96532929 RRPATPLGOOJGTN-UHFFFAOYSA-N 439.565 6.082 30 10 IKEE O=C(CCN1c2ccccc2Sc2ccccc21)N1CCCS/C1=N/c1ccccc1 96557938 OTXHVXJOVKUIHT-OCEACIFDSA-N 445.613 6.333 30 10 IKEE CCCCCCCCOc1ccc(N/C=C2/N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1 100168324 ACZPKOGLEXCFJW-OQKWZONESA-N 437.496 5.591 30 10 IKEE C=CCN1C(=O)C[C@H](C(=O)Nc2ccc(Cl)cc2)S/C1=N/c1ccc(Cl)cc1 100401214 SUUOKAQVXPRLDV-OCLJWFPGSA-N 434.348 5.140 30 10 IKEE CCCCCCCCCCCCCCCCCCCCCC(=O)Nc1c(C)cccc1C 100462064 FKFNBSQCOPXTDM-UHFFFAOYSA-N 443.760 10.064 30 10 IKEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccccc2F)cc1 103096254 ZUYXSMSVFBPRLK-SADKCHQCSA-N 444.487 5.370 30 10 IKEE CCOc1cc(/C=C2/C(=O)C(=O)c3ccccc32)cc(/N=N/c2cccc([N+](=O)[O-])c2)c1O 103922629 QUUUBLZRQSTVCG-NVNXVASHSA-N 443.415 5.421 30 10 IKEE Oc1ccc(/C=N/c2ccc(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)cc2)cc1 105432698 GQBAZTXEGVHPAU-OXUBWTJQSA-N 427.291 5.693 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2cccc(OC)c2)cc1 169931407 YSOGNNVXIPUVEN-XMMPIXPASA-N 443.499 5.049 30 10 IKEE CCN1C(=S)N[C@@H](c2ccc(OC(C)C)c(Cl)c2)C(C(=O)c2ccccc2)=C1C 169931521 PYHNPKFMNYEGMW-NRFANRHFSA-N 428.985 5.535 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2ccc(C)cc2)c1 169934959 TTYKESRXIKPYBR-SANMLTNESA-N 449.506 5.940 30 10 IKEE Cc1sc(N/N=C\c2cc(Cl)c(OCC(C)C)c(Cl)c2)nc1-c1ccccc1 169942081 SWKQKCAQMOFTGX-MYKKPKGFSA-N 434.392 6.906 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccs2)c1 169981803 OINPYIJZCLGWPA-QFIPXVFZSA-N 445.496 5.676 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2C2CCCCC2)c1 170039354 VJEZHRZPPHGCIN-HSZRJFAPSA-N 435.520 5.005 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccc(C)c2)cc1C 170140700 ZJLXWOHQDUNYMP-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccc(C)c2)cc1C 170140764 RXWLRXUPINIHCC-DEOSSOPVSA-N 445.490 5.542 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc(OCC(C)C)c3)=C(O)C(=O)N2c2ccccc2)c1 170141582 KUFJITQXPMAASW-VWLOTQADSA-N 441.527 5.813 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1ccc(C(C)(C)C)cc1 170150277 YGZXBSGIUAOQKB-MWTRTKDXSA-N 433.548 5.296 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1ccccc1OC(C)C 170151354 AEZQMTJSZAJUDB-DEOSSOPVSA-N 449.591 6.068 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1ccccc1OC(C)C 170151417 UTNYRMXSOXGMLE-JOCHJYFZSA-N 449.503 5.217 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccs2)cc1 170154360 RYCIFVFXAARQOC-FQEVSTJZSA-N 439.558 5.375 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2)cc1 170221798 SXTFFXDGZXMONO-QFIPXVFZSA-N 433.529 5.315 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2ccccc2)cc1C 170225299 TURNCYUUZNFVHV-RUZDIDTESA-N 439.511 5.411 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccccc1 170233818 RLSZHMRPSKHKDR-HSZRJFAPSA-N 433.548 5.514 30 10 IKEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@H]1c1ccccc1)c1ccc2ccccc2c1 170234714 ZKLOMYZTBHGZOV-DEOSSOPVSA-N 445.478 5.499 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccc(F)cc2)c1 170239132 UPIOXWAQTDOEDL-HSZRJFAPSA-N 447.462 5.103 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccc(F)cc2)cc1 170240240 AKUNEZGHGYOEEM-HSZRJFAPSA-N 431.463 5.316 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(C(C)C)cc2)cc1C 170246366 DNIIKOOKHHAFAV-RUZDIDTESA-N 447.575 5.956 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccccc1F)c1ccc2ccccc2c1 170250932 XZTYUBGQWDKOGV-DEOSSOPVSA-N 438.458 5.152 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@H]1c1ccccc1C 170276645 ICCIQAOXWWLQOT-OAQYLSRUSA-N 427.928 5.426 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccco2)cc1 170285347 OVQBHLSBDCRBEI-HSZRJFAPSA-N 447.487 5.248 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(C)o2)cc1 170299038 LGORVTDBHXFZHK-JOCHJYFZSA-N 435.451 5.299 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1c1ccc(F)cc1 170313790 HLGQXEHYWGYWFN-HXUWFJFHSA-N 432.476 5.460 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)c(F)c2)cc1 170360854 RCLPEFMWHQPXAU-JOCHJYFZSA-N 435.426 5.146 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(N(C)C)cc2)[C@H]1c1ccc(OC(C)C)cc1 170472817 IDGJACNDSQDYAF-DEOSSOPVSA-N 436.552 5.055 30 10 IKEE CC(C)C(=O)C1=C(O)C(=O)N(c2nc3ccc(C(C)(C)C)cc3s2)[C@@H]1c1cccnc1 170482014 DJAWWSLTVQFECD-LJQANCHMSA-N 435.549 5.114 30 10 IKEE Cc1ccc(-c2ccc(Nc3oc(-c4ccccc4)c(-c4ccccc4)c3C#N)nn2)cc1 170542385 DBVMINRZYZRDQS-UHFFFAOYSA-N 428.495 6.994 30 10 IKEE N#Cc1cc(Br)cc(Nc2cc(Br)ccc2Br)c1 227610393 WFEDVACSINKVQY-UHFFFAOYSA-N 430.925 5.589 30 10 IKEE CCOc1ccc(/C=C2/SC(=Nc3ccccc3)N(C3CCCCC3)C2=O)cc1OC 252629594 UJPJRKNWBKBOKH-SUOSWRNOSA-N 436.577 6.031 30 10 IKEE N#Cc1cc(Br)ccc1Nc1cc(I)ccc1Cl 302349928 INYPSLKUIQLFOX-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE CC1(C)OB(CCCOc2ccc(OC(F)(F)F)c(Br)c2)OC1(C)C 304594731 USYAHWZTNOAKNV-UHFFFAOYSA-N 425.050 5.209 30 10 IKEE Cc1ccc(NC2=C(Sc3ccc(C)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 526639618 BAVMEAOAQWAEAH-UHFFFAOYSA-N 425.513 5.164 30 10 IKEE CCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccccc2)cc1Br 526799495 MTDZESLEBRWTJU-XKZIYDEJSA-N 445.386 5.176 30 10 IKEE CCCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1ccc(N(C)C)cc1 526806214 QWFDTPPUHNASBM-IMRQLAEWSA-N 449.668 6.159 30 10 IKEE CCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1cccc(Br)c1 526811185 DFAQIZJJBXRPEB-NHDPSOOVSA-N 435.778 5.431 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccc(OC(C)=O)cc1 526812716 JBSXXJLLTRLZBZ-OYKKKHCWSA-N 442.972 5.374 30 10 IKEE CCCCc1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(CC)cc2)cc1 586238452 YXUCOMOVUJKFKF-UHFFFAOYSA-N 432.589 5.859 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@@H](C#N)c1cc(Br)c2c(c1)OCO2 698374596 XVXOWEMSOATHRW-INIZCTEOSA-N 431.286 5.184 30 10 IKEE COc1ccc(F)cc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 698499234 YQDFPOBCMPCVEG-QGZVFWFLSA-N 435.293 5.603 30 10 IKEE C=CCC1([C@@H](Cc2cccc(Br)c2)NCCC)CN(C(=O)OC(C)(C)C)C1 722914054 QISPSVDRQDKBFF-LJQANCHMSA-N 437.422 5.173 30 10 IKEE C[C@@H]1Oc2ccc(/C(=N/OC(c3ccccc3)c3ccccc3)C3CC3)cc2N(C)C1=O 821228741 QPWCJBMJHVVHNP-QCRQKJLYSA-N 426.516 5.351 30 10 IKEE C=CCC[C@@H](NC(=O)CCc1nc(O)c2c3c(sc2n1)C[C@H](C)CC3)c1ccccc1 1636820108 BENXECJWRNLHMH-VQIMIIECSA-N 435.593 5.278 30 10 IKEE Cc1csc(N=C2S/C(=C\c3cn(C)c4ccccc34)C(=O)N2c2ccccc2)n1 1772739686 SXLNPFHFKLQMLR-OBBBTXPFSA-N 430.558 5.752 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccc2O[C@@H](CC)C(=O)OC(C)C)c1 1858737698 KROFMKQGRBARQR-FQEVSTJZSA-N 439.556 5.281 30 10 IKEE CCCCCCCOc1cccnc1NC(=O)N(CC(=O)OCC)Cc1ccccc1 1858820673 DRPHPSQBWRZQHY-UHFFFAOYSA-N 427.545 5.028 30 10 IKEE CC(C)c1ccc(/C=C/C(=O)NCc2ccc(OC(=O)Nc3cccc(C#N)c3)cc2)cc1 1858905028 MQGPOUIMDMUPPW-XNTDXEJSSA-N 439.515 5.622 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1OCC(C)C 1861359229 OQIXVCKGBGQSFW-HSZRJFAPSA-N 430.633 5.583 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(C(C)(C)C)cc2)n(Cc2cccc(Cl)c2)n1 1862365697 ATPGYYACAFDRHX-UHFFFAOYSA-N 448.010 6.364 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1Cl 1862379471 CFSHRPFSFVJCQE-HXUWFJFHSA-N 430.331 5.904 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2cccc(F)c2)cc1C 1862402462 YYAOMKBYMDCFHD-OSPHWJPCSA-N 445.490 5.482 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1c(F)cccc1Cl)c1ccc(F)cc1F 1862420480 LYWWFFDYLTYHPQ-IBGZPJMESA-N 435.829 5.278 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2cccc(Cl)c2)c1 1862491377 RIDVTSHDHIOYBC-QFIPXVFZSA-N 441.955 5.350 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2c(F)cccc2Cl)ccc1F 1862504933 GWOUEWPRENCVBK-OAQYLSRUSA-N 445.893 5.838 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2cccc(OCC)c2)cc1 1862519578 NLOBXEZVIYWKQF-GAJHUEQPSA-N 437.536 5.251 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2cccc(O)c2)cc1 1862534175 RBCMGVKDKKLBOI-XDHUDOTRSA-N 427.500 5.294 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C(C)C)c1 1862586216 OGCJMEHZGDGHOO-FQEVSTJZSA-N 448.346 5.769 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCCc2ccccc2)[C@H]1c1ccccc1F)c1cccc(O)c1 1862590464 JHVMSUKUSJBILC-DEOSSOPVSA-N 445.490 5.133 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2cc(Cl)cc(Cl)c2)cc1F 1862645973 UWNUFKWKJBNFGI-SFHVURJKSA-N 438.282 5.128 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(O)cc1 1862649824 HLKZWETZWXAEOF-QYBDOPJKSA-N 449.506 5.885 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccccc1 1862659722 CWYCOPQFKVNJGC-DEOSSOPVSA-N 435.564 5.595 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cccc2ccccc12)c1ccc(F)cc1 1862677895 LKANDTBFPKTQMV-XMMPIXPASA-N 429.491 5.890 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc2cc[nH]c2c1)c1ccc(F)cc1 1862679359 YWRSZWPQRZFPNL-QHCPKHFHSA-N 426.447 5.086 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC(C)C)c1 1862681430 AAMDJMAGYRIKBI-JOCHJYFZSA-N 425.500 5.239 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2ccc(F)cc2F)cc1 1862691924 YWBSZZSUXYHIAP-HSZRJFAPSA-N 449.453 5.060 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1F 1862714975 IWWUCVHUSFVJRF-LAMXGVLKSA-N 443.518 6.136 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(OC)cc1 1862715363 MNAPEONJDIALNL-VWLOTQADSA-N 443.543 6.007 30 10 IKEE N#Cc1ccc(NC2=C(c3ccc(Cl)c(Cl)c3)C(=O)N(c3ccccc3)C2=O)cc1 1862908039 TYBYZYCSNRIVSE-UHFFFAOYSA-N 434.282 5.262 30 10 IKEE COc1ccccc1C1=C(Nc2ccc3ccccc3c2)C(=O)N(c2ccc(C#N)cc2)C1=O 1863058964 PHFNQBBJQBLDLG-UHFFFAOYSA-N 445.478 5.117 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(F)c(C)c3)C2=O)cc1C 1863087366 KUISWHZEFCBTAJ-UHFFFAOYSA-N 425.463 5.019 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@@H](C)CC)=C(c2ccc(NC(C)=O)cc2)C1=O 1863545658 IHPXIXMSGLDBRR-IBGZPJMESA-N 441.616 5.254 30 10 IKEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2CC)[C@@H]1c1sccc1C 1864512510 WZXUJDQCSMNQPJ-IBGZPJMESA-N 444.645 5.007 30 10 IKEE CCCC[C@@H](NC(=O)C[C@@H](c1ccc(F)c(C)c1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866763540 CNVIOPMNUYTUDD-ISKFKSNPSA-N 437.559 5.449 30 10 IKEE N#Cc1ccc(Nc2cc(N3CCO[C@@H](c4ccccc4)C3)nc(Cc3ccccc3)n2)cc1 1868220255 ZPMCTEICQFEGKE-RUZDIDTESA-N 447.542 5.261 30 10 IKEE C[C@@H]1CN(c2cc(Nc3ccc(C#N)cc3)nc(C(C)(C)C)n2)C[C@@H](c2ccc(F)cc2)O1 1868355218 BIQFSQHGSLFBIQ-VGSWGCGISA-N 445.542 5.495 30 10 IKEE COc1ccc2c(c1)[C@@H](c1ccccc1)N(c1cc(Nc3ccccc3C#N)nc(C)n1)CC2 1868490463 JMBSGLFWXOPLMU-MUUNZHRXSA-N 447.542 5.561 30 10 IKEE C=CCN(CC=C)c1cc(N2C[C@H](C)Cc3ccccc32)nc(-c2ccc(OCC)cc2)n1 1869332283 ICBAMUCKLJKHCT-OAQYLSRUSA-N 440.591 6.051 30 10 IKEE C=CCOc1cn(CCc2c[nH]c3ccccc23)c(CSc2ccc(C)cc2)cc1=O 1870244237 GKPOGBVKQWUBGK-UHFFFAOYSA-N 430.573 5.738 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(F)cc2)c(CN2C[C@@H](C)C[C@H](C)C2)cc1=O 1870410680 AUHYIFOSKRIILU-VXKWHMMOSA-N 442.619 5.863 30 10 IKEE CCCCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CN(CCC)CCC 1870613880 QITDGGRPOINYRW-UHFFFAOYSA-N 432.693 6.956 30 10 IKEE C=CCOc1cn(CC=C)c(CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1=O 1870809072 NBMPZDMFAVPEBC-UHFFFAOYSA-N 432.364 5.249 30 10 IKEE C#CCOc1cn(CCC(C)C)c(CNc2cccc(OCc3ccccc3)c2)cc1=O 1871006728 UOQQXVZBKDSYME-UHFFFAOYSA-N 430.548 5.098 30 10 IKEE C=CCn1cc(OCc2c(F)cccc2Cl)c(=O)cc1CNc1ccc(N(C)C)cc1 1871089502 OJJPDJYUVTVOIA-UHFFFAOYSA-N 441.934 5.084 30 10 IKEE CC(C)CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1cccc(Cl)c1 1871255021 QCURFTWXHCRIQN-UHFFFAOYSA-N 435.955 5.611 30 10 IKEE COc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(Cc1cccc(C)c1)C3 1871348218 YPWRZJSMCQVZKK-CFRMEGHHSA-N 427.500 5.280 30 10 IKEE Cc1cccc(CN2COc3c(cc4c(c3C)O/C(=C\c3ccc([N+](=O)[O-])cc3)C4=O)C2)c1 1871359523 PDPQVODDMXKQHM-KSEXSDGBSA-N 442.471 5.180 30 10 IKEE Cc1ccc(CCC(=O)Oc2ccc3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1 1871366460 GOXQQEBLZFYBRO-UCQKPKSFSA-N 429.428 5.058 30 10 IKEE COc1ccc(Br)cc1/C=C1\Oc2cc(OC(=O)CC(C)C)cc(C)c2C1=O 1871386175 HWDYXICZFKJWOZ-GRSHGNNSSA-N 445.309 5.334 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2)cc2c1C(=O)/C(=C/c1cccc(Cl)c1)O2 1871404499 LZUZOTMEOPRUDW-GLFIFPSUSA-N 433.891 5.671 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCCOc3ccc(C)cc3)cc(C)c2C1=O 1871407116 XDRNFWDZJJIPBT-XYGWBWBKSA-N 430.500 5.776 30 10 IKEE COc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccc(C)cc4)cc(C)c3C2=O)cc1 1871407572 MBDJGNNZEPDWPX-YNJLWJOVSA-N 443.499 5.334 30 10 IKEE O=C1/C(=C/c2cccc(Cl)c2)Oc2cc(OCCOc3ccc(Cl)cc3)ccc21 1871412846 HNBYQLSPJYZLEQ-XKZIYDEJSA-N 427.283 6.067 30 10 IKEE Cc1c(OCC(=O)Nc2nccs2)ccc2c1O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 1871442138 BFBRKERTXJOJHM-MOSHPQCFSA-N 448.544 5.383 30 10 IKEE COc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1 1871457101 PEJNNSZKIJLAHQ-QFEZKATASA-N 443.499 5.452 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4c(C)cc(C)cc4C)c3C)C2=O)c1 1871459471 ZQLOCPOAMMEZEC-OYKKKHCWSA-N 441.527 5.862 30 10 IKEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1ccc(F)cc1 1871827016 DNQWLJVATVNOLD-HSZRJFAPSA-N 446.588 5.152 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(=O)(=O)CC 1872216475 IEDSOTPYEZCQRH-DEOSSOPVSA-N 442.625 5.387 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cccc(C(C)(C)C)c1)[C@@H](C)CC)S(=O)(=O)CCCC 1872234542 OSTSQWJQDJHUOQ-SIKLNZKXSA-N 436.662 5.345 30 10 IKEE CCCOc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 1872762355 KDUUKDQMSZQJBH-SFHVURJKSA-N 445.371 6.325 30 10 IKEE CC(C)c1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(C(C)(C)C)cc3)n2)cc1 1872776155 JORGEVQVBDMRSR-RJVUUZSNSA-N 428.601 7.121 30 10 IKEE CC(=O)Oc1ccc(C(=O)[C@@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 1872787999 UZSNJDNQKBFIRA-MRXNPFEDSA-N 431.300 5.532 30 10 IKEE CCCN(CCC)CC(=O)[C@H](C#N)c1nc(-c2ccc(Br)cc2)c(C)s1 1872799269 GBXMTMFZIJIIOA-KRWDZBQOSA-N 434.403 5.179 30 10 IKEE C=CCN(CC=C)C(=O)c1ccc2nc(SCCOc3cccc4ccccc34)[nH]c2c1 1872816386 HARMHNFCCZHGCN-UHFFFAOYSA-N 443.572 5.701 30 10 IKEE C=CCN1C(=O)C(Nc2cccc3ccccc23)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422849 SFTPOTIOHMSYHD-UHFFFAOYSA-N 447.538 5.625 30 10 IKEE CCCCCOc1ccc(/C=N/Nc2oc(-c3ccc(Br)o3)nc2C#N)cc1 1873462221 UABPFXLJTSTKMG-YDZHTSKRSA-N 443.301 5.584 30 10 IKEE CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1cc(C)ccc1O 1874202570 JHMURIQEANEEBF-AFUMVMLFSA-N 438.597 5.471 30 10 IKEE CCCSc1nnc(CCc2ccc(OC)c(OC)c2)n1/N=C/c1ccc(CC)cc1 1874221837 BBAPGXYTIIKLRC-KOEQRZSOSA-N 438.597 5.027 30 10 IKEE C=CCSc1nnc(COc2ccccc2OCC)n1/N=C/c1ccccc1Cl 1874243285 XCBHKNIYOZLVKM-OEAKJJBVSA-N 428.945 5.070 30 10 IKEE Cc1cccc(CSc2nnc(CC34CC5CC(CC(C5)C3)C4)n2/N=C/c2ccco2)c1 1874244224 UPXBYYOKJCMNBO-JVWAILMASA-N 446.620 6.113 30 10 IKEE C=CCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1cc(Cl)ccc1O 1874270084 DOAMDAAEMGBZAA-MFKUBSTISA-N 434.952 5.541 30 10 IKEE CCCCC1CCC(c2nnc(SCC)n2/N=C/c2cccc(OC)c2OC)CC1 1874284840 AVRYOHDSLXSZIT-LFVJCYFKSA-N 430.618 5.754 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1cccc2ccccc12 1874327678 WIBFZTLZCAXOJZ-JFLMPSFJSA-N 442.588 6.178 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2[C@H](C)c2ccccc2)cc1 1874395058 CIOZHEKKFLFOBN-LWKXQZBCSA-N 440.616 6.530 30 10 IKEE COc1cccc(/C=N/n2c(Cc3cccs3)nnc2SCc2cccc(C)c2)c1 1874410403 RNZAYAQYAKKWIF-BUVRLJJBSA-N 434.590 5.422 30 10 IKEE Fc1cccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2-c2ccco2)c1 1874467926 JHIOYOVIXIQDSP-BHGWPJFGSA-N 447.322 6.159 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874478432 ZWDQVYUDJRYSQY-FSJBWODESA-N 447.923 5.496 30 10 IKEE CCOc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2ccc(C)cc2)cc1OC 1874486198 GONRKYYRAGOSSG-MFKUBSTISA-N 438.597 5.367 30 10 IKEE COc1cc(/C=N/n2c(CC(C)C)nnc2SCc2ccccc2)cc(Cl)c1O 1874489903 QIGUHALSSZJICM-FSJBWODESA-N 430.961 5.019 30 10 IKEE COc1cccc(/C=N/n2c(CC(C)C)nnc2SCc2c(F)cccc2Cl)c1O 1874491906 OQIWVZVJILKZRA-BHGWPJFGSA-N 448.951 5.158 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCC(=O)NC3CCCCC3)nnc2C2CCC2)cc1 1874495870 JTYJJWHRJCRARC-MFKUBSTISA-N 439.629 5.092 30 10 IKEE CCCc1nnc(SCc2ccccc2C)n1/N=C/c1ccc(Br)cc1 1874505208 QRJCXRBYLBMUHG-LPYMAVHISA-N 429.387 5.476 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SCc3ccccc3F)nnc2C(C)C)cc1 1874513788 PRIXYXGWCKFCFH-WGOQTCKBSA-N 440.588 6.284 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccc(C(=O)OC)cc1 1874525810 GXWBJIAHIUKQCI-FOKLQQMPSA-N 449.363 5.108 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c1OCCc1ccccc1 1874570236 SVCPGJWNLVIDIR-FMQUCBEESA-N 434.535 6.880 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)N[C@H](C)c2ccccc2)c1 1874572549 SWJIZNDHWSTZDG-IYPOZPNPSA-N 449.934 5.501 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 1874586073 UUEROONQOXTUEN-BUHFOSPRSA-N 440.514 7.079 30 10 IKEE O=C(/C=C/c1cccc(OCc2c(F)cccc2Cl)c1)c1ccc(Cl)cc1Cl 1874593486 MFHFAQJXCRRUAY-JXMROGBWSA-N 435.709 7.261 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(OC)c1OCc1ccccc1Cl 1874625899 CCYUPCWPIXMTGM-JXMROGBWSA-N 444.861 6.111 30 10 IKEE CCCOc1c(Cl)cc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)cc1OC 1874628496 GYHGNRYWQGVSFO-AATRIKPKSA-N 429.727 6.349 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OCc2cccc(C)c2)c(Cl)c1 1874639269 RAAWIMRFGZGJQL-RMKNXTFCSA-N 427.327 6.786 30 10 IKEE CCCCCCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1C[C@@H](C)C[C@H](C)C1 1874649832 BQRRAQHQUFSKNI-STWLZBDKSA-N 439.644 5.450 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccc(F)cc3F)c2)cc1 1874694115 MCIUKKGBJSHWBP-WUXMJOGZSA-N 436.454 5.580 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(Br)cc3)c2)c1 1874697014 KISUGKKAYJKPIN-MDWZMJQESA-N 449.344 6.110 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OC(=O)Cc1ccc(Cl)cc1 1874699274 MXILLQSLDCQUAF-YRNVUSSQSA-N 441.310 6.046 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C)cc3)c2)cc1 1874702289 XBWWBRQOJOEJCH-QGOAFFKASA-N 428.528 6.218 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3cc(C)ccc3C)c2)c(OC)c1 1874703412 OGTZJLUCVHCXBH-JLHYYAGUSA-N 430.500 5.365 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OC(=O)c1ccc(F)cc1F 1874703810 ISDVTBBRDMWOTP-YCRREMRBSA-N 426.390 5.536 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1)c1ccc(F)cc1 1874708747 SCUPZUGHSMGMMH-NYYWCZLTSA-N 425.799 5.503 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OC(=O)COc1ccc(C)cc1C 1874713999 ZJLODZHWKKGQFX-DHZHZOJOSA-N 444.527 5.809 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1OC(=O)c1sccc1C 1874718421 YWOXNOWIDVANAZ-XVNBXDOJSA-N 447.339 6.487 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(C)c3)cc2Cl)c1 1875107466 RICFPRSUGMDEBX-JXMROGBWSA-N 436.891 5.781 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2Br)c1 1875128169 RAPHXNIRUNITFR-CSKARUKUSA-N 435.317 6.181 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)Cc1cc(OC)ccc1OC 1875128591 KXKMSIKFQRCIIE-JLHYYAGUSA-N 446.499 5.147 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2[N+](=O)[O-])c1 1875139454 JQBJCKFKQBQLCG-VQHVLOKHSA-N 429.472 5.944 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3cccc4ccccc34)cc2Cl)cc1 1875154005 JAYDVFHXMSRSLS-FYWRMAATSA-N 440.926 6.846 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)CCCOc1ccccc1 1875158884 RQCRPOIEQNZZME-MHWRWJLKSA-N 448.490 5.885 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3OC)cc2)c1 1875171792 NHYJVBQJWODRCC-FOWTUZBSSA-N 446.499 5.608 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)c1cccnc1 1875181613 ORZYUWYNZPEPAC-BQYQJAHWSA-N 435.907 5.784 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)c1ccccc1F 1875182818 WOCKSCCNWPZCMY-ZHACJKMWSA-N 448.490 5.883 30 10 IKEE C=C1CC(C[C@H](NC)[C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1 1875651699 OWDNXVOMDNELMY-WNJJXGMVSA-N 443.587 5.822 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)Cc3ccc(Cl)c(Cl)c3)ccc21 1890571540 PYHDAOLNEIEORM-UHFFFAOYSA-N 433.335 5.112 30 10 IKEE C[C@@H](C(=O)N1CCC[C@@H](COc2cc(C#N)ccn2)C1)c1ccc(-c2ccccc2)c(F)c1 1891452352 YEWAMPBJEUEWNH-TZIWHRDSSA-N 443.522 5.180 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CC1)CC(C#N)(N(C(=O)OC(C)(C)C)c1ccccc1)C2 1917719086 BDNXJNSTCHEWAV-UHFFFAOYSA-N 441.572 5.502 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@@H](CNC(=O)OC(C)(C)C)C1CCC1)NCCC 1922066719 WAXAVLZBGWYPLI-ZEQRLZLVSA-N 430.633 5.459 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@H](C)c1ccc(NC(=O)OC(C)(C)C)cc1)NCC 1922126769 VYKINTMALNJRBM-CPJSRVTESA-N 438.612 6.278 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@@]1(C#N)[C@H](CNC(=O)OC(C)(C)C)CCC12CCC2 1924921096 VAFQTFWCKIVPEJ-UUOWRZLLSA-N 435.609 5.247 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)c2c(Br)cccc2Br)C1 1991987190 FUFXZGUZKWPMES-UHFFFAOYSA-N 445.151 5.008 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@]1(C#N)CCCCN(Cc2ccccc2)C1 2003427874 NISYSSFPCAKSET-VWLOTQADSA-N 439.987 6.030 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@H]2C[C@H]21 2008449732 USPLFSVDZPIBFG-VUMVONDWSA-N 427.545 5.028 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CC12CCC(C#N)(N(C(=O)OC(C)(C)C)C1CCCC1)CC2 2040470624 BIKQVUCDYLFNAJ-SGAUDOEVSA-N 447.620 5.533 30 10 IKEE Cc1c(C(=O)O)oc2c1C(=O)C(=Cc1cccc(NC(=O)c3ccccc3Cl)c1)CC2 2040724886 LURSHZBYQNXVRI-UHFFFAOYSA-N 435.863 5.404 30 10 IKEE O=C(C=Cc1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(-c2ccccc2)cc1 2053612145 YLRDWQFHZSNJRS-UHFFFAOYSA-N 432.548 7.164 30 10 IKEE O=C(C1=CCCCC1)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071356798 QIWUGDABALCJQX-NDEPHWFRSA-N 428.528 5.948 30 10 IKEE Cc1ccc([C@H](C2CC2)n2nc(C3(C)CC3)c(C#N)c2I)c(C)c1 2079042257 HIKVDCRJPNINAI-KRWDZBQOSA-N 431.321 5.027 30 10 IKEE Cc1ccc([C@@H](C(C)C)n2nc(C(C)C)c(/C=N/O)c2I)cc1F 2079097022 FLTUDFGAJTVXPN-JDYBYSMLSA-N 443.304 5.112 30 10 IKEE CCc1nn([C@H](c2cc(C)c(C)cc2C)C(C)C)c(I)c1/C=N/O 2079126212 VAHXQMTZRVLMSI-FWOHHPOZSA-N 439.341 5.029 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Cl)cc(Br)c1 2081558954 CUTJFTUOPVSIIW-IAGOWNOFSA-N 431.802 5.613 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]([C@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccccc2)CC1 2082140400 PKNTZFBCNHAYFI-CEYNDMKZSA-N 443.588 5.794 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)C1(C#N)C[C@@H]2CCCCC[C@H]2C1 2153399629 KJXNRRXNUIHKTO-IRXDYDNUSA-N 433.390 6.443 30 10 IKEE C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNc2ccc(C#N)cc2Br)cc1 2162319326 BXFQLCCHFZBYSW-AWEZNQCLSA-N 430.346 5.519 30 10 IKEE CC(C)(C)OC(=O)NCc1ccc(CNc2ccc(C#N)cc2Br)c(F)c1 2162386523 CVDSNLLYSGIUMU-UHFFFAOYSA-N 434.309 5.097 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2cc(Br)ccc2C#N)c1F 2181134530 HXVVJTXSSZWPNX-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1ccc(C)c(I)c1 2212991227 UZFYXRFAMQOTJM-NRFANRHFSA-N 435.349 5.413 30 10 IKEE C=CCCCCCCC[C@@H](NCC)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2220092588 MSCXODXTIUZNJZ-RPBOFIJWSA-N 445.692 5.907 30 10 IKEE C=CCCCCC[C@H](O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2229106950 CVCILOLUIQKTQA-OALUTQOASA-N 426.395 5.382 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCC[C@]2(C)CNC(=O)OC(C)(C)C)cc1 2258805217 JLZOSSAFJOHBQS-JWQCQUIFSA-N 443.588 5.714 30 10 IKEE C=CCC[C@H](OCCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2263059297 MJWBPJKZBDRDQL-SANMLTNESA-N 431.576 6.217 30 10 IKEE CC(C)(C)C#CC=CC[C@@H](O)c1cc(I)ccc1Br 2268784930 HCWVUKVDUSWAHW-OAHLLOKOSA-N 433.127 5.083 30 10 IKEE CC(C)[C@H](C)N(Cc1ccccc1)c1ccnc2ccc(B3OC(C)(C)C(C)(C)O3)cc12 2269894348 RZXNFZYLSRUFIH-FQEVSTJZSA-N 430.401 5.585 30 10 IKEE CN1C(=O)C(=Cc2ccccc2OCc2ccccc2)SC1=Nc1ccc(C(=O)O)cc1 2296373933 FTZSQGZINRKOTN-UHFFFAOYSA-N 444.512 5.198 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(OC(=O)C=Cc4ccccc4)c3C)C2=O)c2ccccc21 2296607414 DQNPXMGSPSHECL-UHFFFAOYSA-N 449.506 6.205 30 10 IKEE COc1c2c(cc3c1[C@H](CC(=O)C=CC1=C(C)CCCC1(C)C)[N+](C)(C)CC3)OCO2 2297467870 OKLOMNFMQPFSRB-NRFANRHFSA-N 426.577 5.140 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)C=Cc2ccc(C(C)(C)C)cc2)nc2c(C)cccc12 2320450769 TVARYCAJYAXKLY-UHFFFAOYSA-N 449.558 5.858 30 10 IKEE C=CCSc1nnc(CC)n1N=Cc1c(OCc2ccccc2)ccc2ccccc12 2321020505 VMGKKMPGLFZAGZ-UHFFFAOYSA-N 428.561 5.733 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(C)n2N=Cc2ccc(C(C)(C)C)cc2)c1 2321070522 XVJHUYPSALFQFB-UHFFFAOYSA-N 435.597 5.114 30 10 IKEE COc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCCc2ccccc2)C4)cc1 2322214406 BXNINEVMJCBLOQ-UHFFFAOYSA-N 441.527 5.405 30 10 IKEE COC(=O)c1ccc(COc2ccccc2C=CC(=O)c2cccc(Br)c2)o1 2322457416 FFLBWEHLVDLEDY-UHFFFAOYSA-N 441.277 5.304 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(Cl)cc2C=CC(=O)c2ccc(C)cc2C)o1 2322572957 ZKNULNLSXKHUDK-UHFFFAOYSA-N 438.907 6.202 30 10 IKEE O=C(C=Cc1c(OCc2ccccc2F)ccc2ccccc12)c1cccc2ccccc12 2322722458 IJQBUJIFGUUQCA-UHFFFAOYSA-N 432.494 7.607 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccc(F)cc1 2322748059 MDLVARZITGUIBE-UHFFFAOYSA-N 439.486 6.201 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(=O)c4cccc(Cl)c4)ccc3C2=O)c1OC 2322906438 SVYOABLJQNHTEZ-UHFFFAOYSA-N 436.847 5.193 30 10 IKEE CCOc1cc(C=NNc2ccc(OC)c(Cl)c2)ccc1OCc1ccccc1F 2322926378 PQVYCXAUWMOFLU-UHFFFAOYSA-N 428.891 5.911 30 10 IKEE CC(=O)Nc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(Cl)c2)C3=O)c1 2322969194 PAIMEMPJDIRKGD-UHFFFAOYSA-N 447.874 5.442 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCc2ccc([N+](=O)[O-])cc2)c(OC)c1OC 2323028771 ULSPUHOUQSEHRZ-UHFFFAOYSA-N 449.459 5.096 30 10 IKEE Cc1cc(OC(=O)C=Cc2ccc(F)cc2)cc2c1C(=O)C(=Cc1ccc(C(C)C)cc1)O2 2323046698 QGXUNGHTQNTLBN-UHFFFAOYSA-N 442.486 6.493 30 10 IKEE Cc1cc(OC(=O)Cc2ccccc2[N+](=O)[O-])cc2c1C(=O)C(=Cc1ccccc1Cl)O2 2323387646 CXPRDODSFFDTJB-UHFFFAOYSA-N 449.846 5.321 30 10 IKEE CCCCCCCCNC(=O)[C@H](NC(=O)C=Cc1ccc(C(C)(C)C)cc1)c1ccccc1 2323441791 NSCVDVZCUQYRNC-HHHXNRCGSA-N 448.651 6.332 30 10 IKEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCCc1ccccc1 2323675503 TXBKIMKIGAYLQL-UHFFFAOYSA-N 433.460 5.130 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1Cl)NCc1ccccc1 2323720675 VQONCTKLNGZTHH-UHFFFAOYSA-N 441.861 5.210 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)cc1 2323828996 MFLIPHCUDKKYQN-UHFFFAOYSA-N 429.516 5.616 30 10 IKEE Cc1cc(O)c(CN2CCCCCC2)c2c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O2 2324070456 AQCZZUAZOKTIAZ-UHFFFAOYSA-N 432.347 6.000 30 10 IKEE CCOc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2cccs2)C3=O)cc1 2324521779 WKFBCVWQFNYYAP-INIZCTEOSA-N 449.528 5.477 30 10 IKEE Cc1cccc(OCCCCOc2ccc3c(c2C)OC(=Cc2ccccc2F)C3=O)c1 2324571097 DYQBQZMSABZLST-UHFFFAOYSA-N 432.491 6.297 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2F)c(Cl)c1)c1cc(Cl)ccc1Cl 2324652232 NWZBPYASGOVLDM-UHFFFAOYSA-N 435.709 7.261 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1ccc2c(c1)OC(=Cc1cccc(Cl)c1)C2=O 2325005305 OZGFCCCXURFPQY-UHFFFAOYSA-N 447.918 5.845 30 10 IKEE CCCCCOC(=O)COc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1Cl)C2=O 2325041147 DMBRISDZTVHTKV-UHFFFAOYSA-N 435.303 5.722 30 10 IKEE Cc1cc(OCCC(=O)OCCC(C)C)cc2c1C(=O)C(=Cc1cn(C)c3ccccc13)O2 2325103931 TZMOJJVBIVTYQO-UHFFFAOYSA-N 447.531 5.461 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(CCc3ccccc3)n2N=Cc2cccs2)cc1 2325443924 GRIFJYAVATZVRI-UHFFFAOYSA-N 449.561 5.208 30 10 IKEE Fc1cccc(C=Nn2c(Cc3ccccc3)nnc2SCc2cccc(Cl)c2)c1 2325493028 BSIUFXCJFYUKDT-UHFFFAOYSA-N 436.943 5.836 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cc(Cl)ccc3OC)c2)cc1 2325711489 WHUVLCRPCHYOTD-UHFFFAOYSA-N 448.946 6.807 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Br)c2)cc1OC(=O)C1CCCC1 2325720263 OVVUQSPDQYESOZ-UHFFFAOYSA-N 429.310 5.449 30 10 IKEE Cc1cccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)c1 2325727041 FSQXHJZHJIWXJB-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O)Nc1ccccc1 2325739896 FCIWDIXXUNHXCQ-UHFFFAOYSA-N 440.282 5.627 30 10 IKEE CSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1N=Cc1sccc1C 2325829123 RXGMVNFQZOGAGK-UHFFFAOYSA-N 428.627 5.561 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1cccs1 2326074110 HKRJADFWYCZSLQ-UHFFFAOYSA-N 433.002 5.555 30 10 IKEE CCc1nnc(SCc2ccccc2)n1N=Cc1cc(Cl)c(OC(C)C)c(Cl)c1 2326218978 KIPASKOEQLGDKC-UHFFFAOYSA-N 449.407 6.109 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc(OC)cc1 2326592193 NEVUEWMTBIZEIV-UHFFFAOYSA-N 442.588 5.776 30 10 IKEE C=CCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccccc1Cl 2326606417 NDCXXJWLHMAGDN-UHFFFAOYSA-N 432.980 6.030 30 10 IKEE CCOc1ccccc1OCc1nnc(SCC)n1N=Cc1c(F)cccc1Cl 2326823624 SSHMUDJQLYSUEZ-UHFFFAOYSA-N 434.924 5.043 30 10 IKEE CCCSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1cccc(Cl)c1 2327210816 JODJBTJBQBCSRH-UHFFFAOYSA-N 428.989 5.636 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2N=Cc2ccc3c(c2)OCCO3)CC1 2328179866 LKJLEZALZDLEJH-UHFFFAOYSA-N 442.629 5.898 30 10 IKEE Cc1cccc(OCc2nnc(SCc3ccccc3)n2N=Cc2ccccc2O)c1C 2328846858 PLPFXSPVMSDCDV-UHFFFAOYSA-N 444.560 5.354 30 10 IKEE CCCSc1nnc(Cc2ccc(OC)cc2)n1N=Cc1cccc(Br)c1 2329285401 NCXRDJFUULNJMH-UHFFFAOYSA-N 445.386 5.024 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccccc1F 2329473400 NEFQWMBVNNIJEG-UHFFFAOYSA-N 448.542 5.824 30 10 IKEE CCSc1nnc(-c2ccccc2Cl)n1N=Cc1cc(Br)ccc1F 2329561268 NVQXNLHQSQAJON-UHFFFAOYSA-N 439.741 5.494 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3Cl)n2N=Cc2cccc(C)c2)cc1 2330002132 FDYOYLDTNQQNCS-UHFFFAOYSA-N 447.007 6.314 30 10 IKEE COc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCc2cccc(C)c2)cc1 2330242020 NOPJLGKRQBWSKM-UHFFFAOYSA-N 434.609 5.892 30 10 IKEE CC(C)(C)C1CCC(OC(=O)CON=C(c2ccc(Br)cc2)C2CC2)CC1 2330364476 HEWWTGVGFKKJSG-UHFFFAOYSA-N 436.390 5.728 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCCC)nnc2-c2ccccc2)cc1OCC 2330682976 UMEYXIZJFRXZED-UHFFFAOYSA-N 438.597 5.907 30 10 IKEE Cc1ccccc1CCC(=O)Oc1ccc(C=CC(=O)c2cccc(Br)c2)cc1 2330994617 ZQQNHNDGMSRFDQ-UHFFFAOYSA-N 449.344 6.192 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccc(Cl)cc1 2331141365 ZOFKUQJPCSFQST-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE COc1ccccc1CCC(=O)Oc1c(OC)cc(C=CC(=O)c2ccccc2)cc1OC 2331165402 IWDMLGJLKZPIJL-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE CCCCCCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(C)cc2)cc1OC 2331259565 XGIKZLVHNKQNGF-UHFFFAOYSA-N 442.983 7.209 30 10 IKEE COCCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(C(C)(C)C)cc1 2331282251 VUWPHLFUMSYIDM-UHFFFAOYSA-N 426.561 5.078 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2cc(C)cc(C)c2)c([N+](=O)[O-])c1 2331362714 HJLMPNNUQXFAQV-UHFFFAOYSA-N 445.471 5.644 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3ccc(C)cc3)cc2)cc1F 2331451157 VAQJBUGZMRGFGZ-UHFFFAOYSA-N 448.490 5.803 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)c1cccnc1 2331492739 LSKXPZKQKJEFDN-UHFFFAOYSA-N 431.488 5.338 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)CCc1ccccc1C 2331709487 ADPTWNHMEAXIPN-UHFFFAOYSA-N 442.555 6.445 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3)c(Cl)c2)cc1C 2331840985 OKUGXSYRNCOCNC-UHFFFAOYSA-N 438.882 6.220 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)ccc1OC(=O)C1CCCC1 2331871041 ISKXPHFPNYSLAB-UHFFFAOYSA-N 430.500 5.849 30 10 IKEE CC(C)Oc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 20884734 JZQSIDRYOJUUBD-NFBKMPQASA-N 431.576 5.776 30 10 IKEE CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)cc2Cl)cc1 21236811 IUFIIQOFXPNLOB-KXBFYZLASA-N 442.386 6.295 30 10 IKEE O=C1CCCC2=C1[C@@H](c1ccco1)N(C(=O)Nc1ccccc1Cl)c1ccccc1N2 21722293 RUOFGBLAJCLENB-HSZRJFAPSA-N 433.895 6.145 30 10 IKEE Cc1cccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccc(F)cc3)S2)c1 27522331 OARDIVULBYUSCY-XOFWUJAUSA-N 447.535 5.295 30 10 IKEE COC(=O)c1ccc(/C=C2/Oc3cc(OCc4ccc(F)cc4Cl)ccc3C2=O)cc1 34700772 VMYXYEPJBJGKLA-LSHDLFTRSA-N 438.838 5.461 30 10 IKEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@@H]3c3ccc(Cl)cc3)ccc2O1 38256101 KWEUESAFPMBFIC-JLCFBVMHSA-N 449.890 5.035 30 10 IKEE O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)S/C(=N/c2ccncc2Cl)N1C1CCCCC1 39864633 YEEDSDGXGNBKSH-FAXOLUSMSA-N 442.928 5.580 30 10 IKEE C=CCc1ccc(OCCn2c(-c3ccc(OC)c(OC)c3)nc3ccccc32)c(OC)c1 40249841 ABZBHOINVNXMFH-UHFFFAOYSA-N 444.531 5.537 30 10 IKEE O=C(Nc1ccccc1)c1c(/N=C/c2cc3c(cc2Cl)OCO3)sc2c1CCCC2 59676487 VGNMFKSQFXPSPP-BRJLIKDPSA-N 438.936 6.012 30 10 IKEE O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1c(Cl)cccc1Cl)c1c(O)n[nH]c1N2 98036584 ODBVGGMSUOTQOO-VVVCHXIZSA-N 432.332 5.442 30 10 IKEE CCCCCCCCCCCCCCCCCCCCCC(=O)NCc1cccs1 100462176 YOFUMSBESQASTE-UHFFFAOYSA-N 435.762 9.186 30 10 IKEE CCCCCCCCCCn1c(CCCNC(=O)c2ccc(C)cc2C)nc2ccccc21 102149529 PKUAAUCPJXNEGV-UHFFFAOYSA-N 447.667 7.156 30 10 IKEE CCn1cc(/C=C2\Oc3c(ccc(OC(=O)C4CCCCC4)c3C)C2=O)c2ccccc21 102719217 WEPLECKNKAQADG-IWIPYMOSSA-N 429.516 6.072 30 10 IKEE Cc1ccccc1COc1ccc2c(c1)O/C(=C/c1cc(Cl)cc3c1OCOC3)C2=O 102723478 UAFIWGJHPLSYQU-AUEPDCJTSA-N 434.875 5.710 30 10 IKEE CCCOc1cc([C@@H]2NC(=S)N(CCC)C(C)=C2C(=O)c2ccccc2)ccc1OC 169928804 JIPHEYNKGOAGCR-QHCPKHFHSA-N 438.593 5.282 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccc(O)cc2)c1 169958496 ZAPLZBJFQUIHMM-QFIPXVFZSA-N 435.426 5.070 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2cccc(C)c2)c1 169972803 WEDMIMLXJGUEKK-VWLOTQADSA-N 441.527 5.399 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@H]2c2ccncc2)cc1 170021578 RVZOAPKTYOKHLF-QFIPXVFZSA-N 432.907 5.389 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2C2CCCCC2)c1 170039465 GXPPUSGWLURILC-XMMPIXPASA-N 449.547 5.313 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cn(C)c3ccccc23)c1 170085625 GQNRFWCEWSCNLE-XMMPIXPASA-N 444.531 5.098 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2ccccc2C)c1 170086108 QLYXXJYOMUKIHD-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccco2)cc1 170097077 GZSQBBNNKCKBFJ-QHCPKHFHSA-N 443.455 5.203 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccc(C)c2)ccc1Cl 170140805 LIRRZQLINYCYGI-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(OCC(C)C)cc1 170167318 QNBQGDPYAQEAOZ-VWLOTQADSA-N 443.543 5.863 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccnc1 170189653 BJSIKUCWZCYFLT-DEOSSOPVSA-N 436.467 5.026 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@H]1c1ccncc1 170211005 YNAANGVOUFCZPG-HSZRJFAPSA-N 436.552 5.291 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1cccc(OCC)c1 170217655 COUJJGXVHXGXKD-HSZRJFAPSA-N 437.536 5.251 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2)c1 170221820 STDNQLBWIVWVPX-FQEVSTJZSA-N 439.920 5.189 30 10 IKEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4)[C@H]3c3ccc(Cl)cc3)ccc2O1 170235315 AGKPPDCKVMMSLQ-CMJOXMDJSA-N 445.902 5.446 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(F)cc2)cc1Cl 170239524 FWCYUHVGZPTVGL-NRFANRHFSA-N 437.854 5.271 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@@H]1c1ccc(F)cc1 170243689 GCNXMFKCOYZALL-FQEVSTJZSA-N 431.891 5.256 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1ccc(C(C)C)cc1 170245678 MLWWBJFZFJSGAF-QFIPXVFZSA-N 437.923 6.198 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(C(C)C)cc2)cc1 170246251 DHAIWZPXLRERSA-RUZDIDTESA-N 447.575 6.118 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1c[nH]c2ccccc12 170255346 HLYVIISQLJBCHE-QHCPKHFHSA-N 432.520 5.335 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccco2)c1 170279114 VXMBYGHFTYIFPP-QHCPKHFHSA-N 447.487 5.248 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(Cl)c3)[C@@H]2c2ccco2)c1 170282685 OJWZEQICTILPDL-FQEVSTJZSA-N 442.298 5.986 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccco2)cc1 170291189 GQVWDGVTPQCPNY-DEOSSOPVSA-N 439.467 5.220 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCCC)[C@H]2c2ccco2)cc1 170294922 URYIGESHNVPWQW-QFIPXVFZSA-N 425.525 5.617 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2Cc2ccc(F)cc2)o1 170311272 FXHGPKSRHFKAKU-HSZRJFAPSA-N 449.478 5.293 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)(C)C)c2)[C@@H]1c1sccc1C 170318883 FUQOSTUDOWRVIC-HXUWFJFHSA-N 441.593 5.741 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1sccc1C 170319459 MJQYTOLGAOPEFF-LJQANCHMSA-N 443.952 6.225 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(OCC(C)C)cc2)c1 170349827 WBQPPOWLVHVVPK-RUZDIDTESA-N 441.527 5.813 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1c1ccc(N2CCCC2)cc1 170396223 MEHULWWJGYQCCP-HSZRJFAPSA-N 444.556 5.440 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1oc(C)c(C(C)=O)c1C(N)=O 170500969 AGMOJSKVTGBVJY-UHFFFAOYSA-N 448.648 7.090 30 10 IKEE COc1cc(C=NOCc2ccc(C)cc2)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 254478395 VXENSAUCKQGHJR-UHFFFAOYSA-N 446.547 5.497 30 10 IKEE Cc1ccc(N=C2SCCCN2C(=O)Cc2c(Cl)cccc2Cl)cc1Cl 254800425 SPNQELREYYCJDW-UHFFFAOYSA-N 427.784 6.151 30 10 IKEE Cc1ccc([C@H]2C(c3cccc(OCC(C)C)c3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526514378 AWINMEKGSVAAHJ-SANMLTNESA-N 438.527 5.959 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccc(OC)c2)cc1 526517137 TVABPPAEIBILHW-XMMPIXPASA-N 426.472 5.023 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(F)cc1 526608376 IMMJPPPRUFVLFC-NRFANRHFSA-N 439.273 6.061 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Cl)cc2)cc1 526708775 QUBLCFAXDJSVPF-HSZRJFAPSA-N 445.946 6.420 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1cccc(OCC)c1O 526807263 RBKKOPBIIVHLBH-QRVIBDJDSA-N 430.961 5.163 30 10 IKEE Cc1cc(C)cc(CSc2nnc(C)n2/N=C\c2ccc(OC(C)C)c(Cl)c2)c1 526809932 QUPOVFWFFTYKQE-MSXFZWOLSA-N 428.989 5.818 30 10 IKEE C=C1CC[C@H](O)C/C1=C\C=C1/CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@H](C)/C=C/[C@@](C)(O)C(C)(C)O 605699010 BPEQZNMKGFTMQE-WWRWBLPFSA-N 428.657 5.871 30 10 IKEE Cc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)cc1Cl 698459160 VLPMIBZEQSGNFX-SFHVURJKSA-N 435.749 6.417 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@H](C#N)c1ccc(OCc2ccccc2)cc1 698968830 WSQDNTVEDAVXLI-XMMPIXPASA-N 432.495 6.411 30 10 IKEE C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2ccc(C(C)(C)C)cc2)c1 762440467 MUXFFJLBGBCBTC-UHFFFAOYSA-O 438.576 5.448 30 10 IKEE COC(=O)c1c(N=Cc2cc([N+](=O)[O-])ccc2Cl)sc(Cc2ccccc2)c1C 1084469387 RPUUKWRJMIXWGY-UHFFFAOYSA-N 428.897 5.746 30 10 IKEE Cc1cc(C)c(N/C(=N/Cc2ccc(C(F)(F)F)cc2)N[C@H]2CCCC[C@@H]2N)c(C)c1 1088653046 HQRDKFPIBALOBH-SFTDATJTSA-N 432.534 5.458 30 10 IKEE CC(/C=C1\S/C(=N\N=C/c2cccnc2)N(Cc2ccco2)C1=O)=C\c1ccccc1 1554646208 QWXKTRALIQPCKW-KRWLOIDMSA-N 428.517 5.128 30 10 IKEE O=C(O)c1ccc(/C=C2\SC(=Nc3ccncc3Cl)N(c3ccccc3)C2=O)cc1 1772734442 DNRDDHOQFXWWEI-JKJUGIAJSA-N 435.892 5.242 30 10 IKEE COc1cccc(/C(C)=C2/SC(=Nc3nnc(C)s3)N(C3CCCCC3)C2=O)c1 1772738929 RBYOCBRVFSWSRA-CTNAHEIOSA-N 428.583 5.182 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccccc2OC)SC1=Nc1nc(-c2ccccc2)cs1 1772739315 SRPFYISYAQVRRL-VASVRFFCSA-N 433.558 5.609 30 10 IKEE CC(C)c1ccc(-c2cc(C(=O)Nc3ccccc3C#N)nn2Cc2ccccc2F)cc1 1859398827 QXMKTFPPTUUYNI-UHFFFAOYSA-N 438.506 5.985 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)CCSc2ccc(Cl)cc2)nc2ccccc12 1859490178 SBNOKCYGAPAAMH-UHFFFAOYSA-N 447.951 5.375 30 10 IKEE Cc1ccc(/C=C/C(=O)N2CCC[C@@H](C(=O)Nc3scc(C(C)(C)C)c3C#N)C2)cc1 1860655988 GVMDSXBLGICACZ-TZZQJPOUSA-N 435.593 5.116 30 10 IKEE CCCCCCCCNC(=O)[C@@H](NC(=O)COc1c(C)ccc(C)c1C)c1ccccc1 1861664748 KICZTZSPOZQBDK-VWLOTQADSA-N 438.612 5.325 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2cccc(C)c2)cc1C 1862400908 PGHGMDIAVGMLEG-KBMIEXCESA-N 441.527 5.652 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc(Cl)c1 1862477084 SAYFZDKKGYYKQW-FYYLOGMGSA-N 439.983 6.586 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2cccc(F)c2)c1 1862488938 LVWFTUCVPDPWGT-DEOSSOPVSA-N 429.491 5.529 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cccc(F)c1 1862489215 RULSRUHELYRFJZ-XMMPIXPASA-N 445.490 5.230 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@H]2c2ccc(O)cc2)cc1 1862530301 PHJOAJFQEMMJLR-VWLOTQADSA-N 441.527 5.084 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@@H]2c2ccc(C)cc2)cc1 1862534356 RSWURIHJJOBMBS-XMMPIXPASA-N 445.946 5.989 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccc(Cl)cc2)cc1 1862536013 OYWVOVSMLPQRGO-XMMPIXPASA-N 449.978 6.371 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862560322 HIDOXJMGQWZDLB-DEOSSOPVSA-N 444.506 5.310 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2ccc(Cl)cc2)c1 1862592176 WXVAIPQVLTUBHT-HSZRJFAPSA-N 447.918 5.441 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862592533 FKEUMSDXSSIEKC-XMMPIXPASA-N 441.527 5.468 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCc2ccc(Cl)cc2)cc1 1862673061 BFUIZESTVAUWNX-QHCPKHFHSA-N 449.909 5.609 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(C)cc1 1862686652 BAGPEKJRVCNKSV-DEOSSOPVSA-N 435.564 5.942 30 10 IKEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@@H]2c2cccc(C)c2)cc1 1862733339 RHKWATYUXHPELY-XMMPIXPASA-N 435.564 5.942 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H](C)c2ccccc2)=C(c2ccc(C)c(C)c2)C1=O 1863608175 VTOJWGUIGSJABT-QFIPXVFZSA-N 432.608 6.095 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(OC)cc2)C(=O)N(Cc2ccco2)C1=O 1863665729 QXQMBRISNHVGAO-UHFFFAOYSA-N 438.568 5.299 30 10 IKEE CCCCCCCCCCNC1=C(c2cc(C)ccc2C)C(=O)N(C[C@H]2CCCO2)C1=O 1863733801 GMCFZNSWGBWWEP-JOCHJYFZSA-N 440.628 5.293 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCOCC)=C(c2ccccc2Cl)C1=O 1863777701 LWENEWKXXBPCAG-UHFFFAOYSA-N 449.035 5.577 30 10 IKEE CC[C@H](NC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866991531 NPHBMHDPXCXYPE-VQTJNVASSA-N 432.351 5.138 30 10 IKEE C[C@H]1CN(c2cc(Nc3ccccc3C#N)nc(-c3ccc(Cl)cc3)n2)C(C)(C)CO1 1868438039 OUWCAOUDAXEDHL-INIZCTEOSA-N 433.943 5.416 30 10 IKEE CC(C)c1cc(C(C)C)cc(-n2nnc(C#N)c2NC(=O)[C@H]2C[C@H]2c2ccccc2Cl)c1 1870162088 KPMZKEFOAMGIOV-SFTDATJTSA-N 447.970 5.781 30 10 IKEE CCCCCCCCCCn1cc(OCc2ccccc2C)c(=O)cc1CSCC 1870170508 MIIKZOBBCGEORR-UHFFFAOYSA-N 429.670 7.130 30 10 IKEE CCCCCCCCCCn1cc(OCc2ccccc2Cl)c(=O)cc1CN(C)C 1870342776 FERVSMVUBWWHEY-UHFFFAOYSA-N 433.036 6.283 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCCCC)c(=O)cc1CN1CCC(C)CC1 1870764363 GPUOOBXVPCRVQX-UHFFFAOYSA-N 448.648 5.163 30 10 IKEE CCCCCCCCn1cc(OCCOC(C)C)c(=O)cc1CNc1ccc(F)cc1 1870987449 YPQNWGZIYQMPQD-UHFFFAOYSA-N 432.580 5.764 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCC)c(=O)cc1CNc1ccccc1C 1871148538 SFKGSQNGTQHLKN-UHFFFAOYSA-N 428.573 5.071 30 10 IKEE Cc1c(OC(=O)c2cnccn2)ccc2c1O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 1871370065 ONMMMTYMKIRTHS-IWIPYMOSSA-N 434.451 5.287 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc(C(C)C)cc4)cc(C)c3C2=O)c1 1871379322 AWXIZFXBWXQWQX-IYLOJVAXSA-N 438.523 6.662 30 10 IKEE Cc1cc(OC(=O)c2cccc(OC(C)C)c2)cc2c1C(=O)/C(=C/c1ccccc1Cl)O2 1871388307 OJKJFDSWLBHJFK-QRVIBDJDSA-N 448.902 6.271 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(O[C@@H](C)C(=O)Nc3ccccc3)cc(C)c2C1=O 1871405792 PEHAXVCXZUXXBF-PGECNJAHSA-N 429.472 5.026 30 10 IKEE COc1ccc(OCCOc2ccc3c(c2C)O/C(=C\c2cccc(OC)c2)C3=O)cc1 1871414163 ASPIXSFOJROOMQ-JLPGSUDCSA-N 432.472 5.086 30 10 IKEE CCCC[C@@H](Oc1ccc2c(c1C)O/C(=C\c1cccc(Br)c1)C2=O)C(=O)O 1871422987 LIWLTRRQYCXALJ-GEBKJHSDSA-N 445.309 5.396 30 10 IKEE Cc1c(OCC(=O)NC2CCCCC2)ccc2c1O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871438457 ZSRMZDUWUXVZTI-IWIPYMOSSA-N 433.548 5.562 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 1871875731 FPTFTUDHWOKUIG-OAQYLSRUSA-N 434.989 5.023 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)CCCC 1872213083 JVXMEOSUUSRRPO-QFIPXVFZSA-N 436.662 5.345 30 10 IKEE Cc1cc(O)ccc1N1CC(=O)C(c2nc(-c3ccccc3)c(-c3ccccc3)s2)=C1N 1872725852 AAANKXIKDNFURV-UHFFFAOYSA-N 439.540 5.208 30 10 IKEE Cc1cccc(C)c1OCCCC(=O)[C@@H](C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872763641 QVSRLXMNAIVDOY-LJQANCHMSA-N 435.505 5.371 30 10 IKEE Cc1cccc(C)c1OCCCC(=O)[C@H](C#N)c1nc(-c2ccc3c(c2)OCO3)cs1 1872773618 SIARZPOKKVITGA-SFHVURJKSA-N 434.517 5.191 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccnc(Cl)c3)n2)c(OCC)c1 1872784788 XPUTVRZPPUKOSI-INIZCTEOSA-N 427.913 5.146 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)c(Cl)c3)n2)cc1C 1872787777 RBFWWNWGCYSXOI-OAHLLOKOSA-N 431.344 6.232 30 10 IKEE COc1ccc([C@@H](C)NC(=O)c2cccc(CSc3nc(C)c(C)c(C)c3C#N)c2)cc1 1872893294 QEXFWESMMLIGRZ-LJQANCHMSA-N 445.588 5.670 30 10 IKEE N#Cc1cccc(Nc2nc(N3CCCc4ccccc43)nc3c2cnn3-c2ccccc2)c1 1873483857 CZSWWPVMLZBPSM-UHFFFAOYSA-N 443.514 5.515 30 10 IKEE Cc1cccc(CSc2nnc(COc3cccc(C)c3C)n2/N=C/c2ccc[nH]2)c1 1874321626 BBPXHSAAEHSNRK-VULFUBBASA-N 431.565 5.285 30 10 IKEE Clc1ccccc1CSc1nnc(COCc2ccccc2)n1/N=C/c1cccnc1 1874355292 HSLPNQZCXJUVDY-VULFUBBASA-N 449.967 5.218 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2/N=C/c2ccccc2F)c1 1874357137 RUKOENBPJPDESO-LQKURTRISA-N 444.579 6.108 30 10 IKEE CCOc1cccc(/C=N/n2c(CCc3cccs3)nnc2SCc2ccccc2)c1 1874371712 NBTSCTKTCWLHSR-KOEQRZSOSA-N 448.617 5.698 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCCc2ccccc2)c1 1874380639 CLXRBLFCABRMIM-WPWMEQJKSA-N 446.551 5.239 30 10 IKEE CCCSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1ccc(N(CC)CC)cc1 1874380938 SNGSXGKATVNXKU-KOEQRZSOSA-N 425.577 5.239 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2ccc(F)cc2)cc1 1874389188 KJWOHBIWCZZTHH-OVVQPSECSA-N 430.552 5.533 30 10 IKEE Fc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCCc2ccccc2)cc1 1874403512 FBFWMOLEEVPCPY-ZXVVBBHZSA-N 430.552 5.419 30 10 IKEE Fc1cccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccccc2Cl)c1 1874406100 ADQSRSNUYJWCRS-CVKSISIWSA-N 442.991 6.368 30 10 IKEE Cc1ccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccccc2C(=O)O)cc1 1874406346 NBPYBFZYWZVUAG-WGOQTCKBSA-N 448.592 5.582 30 10 IKEE Cn1cc(/C=N/n2c(SCc3cccc(F)c3)nnc2-c2ccccc2)c2ccccc21 1874427033 MWOHQDSPIMHHSW-JFLMPSFJSA-N 441.535 5.750 30 10 IKEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3cccc(C)c3C)nnc2C2CCCC2)cc1 1874452086 CUNRJBXSHMBSLP-CVKSISIWSA-N 447.608 5.474 30 10 IKEE FC(F)(F)c1ccc(/C=N/n2c(SCc3ccccc3)nnc2C2CCCC2)cc1 1874454541 JIVSWGIXDXAIBL-VULFUBBASA-N 430.499 6.129 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCCC3)n2/N=C/c2ccc(C(C)(C)C)cc2)c1 1874455782 KZHGNZDSLWRQDL-OGLMXYFKSA-N 446.664 7.025 30 10 IKEE Cc1ccccc1CSc1nnc(C(F)(F)F)n1/N=C/c1cc(Cl)ccc1O 1874458475 QDOXKDJHGKJGKX-NUGSKGIGSA-N 426.851 5.139 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccccc1C(=O)O 1874476232 KSBMEAWSWZMVJO-YDZHTSKRSA-N 428.945 5.147 30 10 IKEE Cc1ccccc1NC(=O)CSc1nnc(C2CC2)n1/N=C/c1cccc2ccccc12 1874518364 PWEVMCDKPAMIJC-CVKSISIWSA-N 441.560 5.230 30 10 IKEE O=C(COc1ccccc1/C=C/C(=O)c1cc(Cl)ccc1Cl)Nc1nccs1 1874591347 GEIFRAHHKGLWGL-VMPITWQZSA-N 433.316 5.364 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccccc1OCC(=O)Nc1ccccc1C 1874591976 LWQIWJQSPKKHQV-ACCUITESSA-N 435.907 5.571 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3ccccc3)c2)cc1C 1874600166 XLLLOYSXFGKXLM-ZRDIBKRKSA-N 445.515 5.234 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OCc1cccc(F)c1 1874602089 UCETYLWSJBNOFK-MHWRWJLKSA-N 438.498 6.976 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3c(F)cccc3Cl)c(OC)c2)cc1 1874609359 MOIJTKOSLRXWMR-WUXMJOGZSA-N 426.871 5.971 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Cl)c1OCc1cccc(Cl)c1 1874611291 FYPAMVADQKCENV-VMPITWQZSA-N 449.280 6.755 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)c(OC)c1 1874632726 RDQIYMLBGYMNIJ-UXBLZVDNSA-N 443.326 6.486 30 10 IKEE Cc1ccc(COc2ccc(/C=C/C(=O)c3cc(Cl)ccc3Cl)cc2Cl)cc1 1874637786 RMTAXZXQZVCUTE-UXBLZVDNSA-N 431.746 7.430 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1OC(=O)COc1ccccc1 1874693704 RUASCWZSNCBGBC-RVDMUPIBSA-N 442.511 5.455 30 10 IKEE COc1ccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c(C)c3)c2)cc1 1874696267 PGNMGEOXYBPUGB-NTEUORMPSA-N 430.500 5.447 30 10 IKEE Cn1c(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)c2)cc2ccccc21 1874707536 JYQWBAYYHBYVKU-SFQUDFHCSA-N 437.539 6.591 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2cccc(OC(=O)c3sccc3C)c2)cc1Cl 1874716919 PDKZFRCVDLFVQI-VOTSOKGWSA-N 447.339 6.487 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C2CCCC2)c([N+](=O)[O-])c1)c1ccc(Br)cc1 1875110055 QWMBETLULCMRFJ-VZUCSPMQSA-N 444.281 5.349 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3C)c(Cl)c2)cc1 1875114373 QVZMQQCSJSVCLY-VGOFMYFVSA-N 434.919 6.091 30 10 IKEE O=C(COc1ccc(Cl)cc1)Oc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1 1875117008 DSOLXLZTWQVZND-LZWSPWQCSA-N 437.835 5.129 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2Cl)cc1 1875127983 IGCIPIQOVHOMGV-GXDHUFHOSA-N 434.919 6.173 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)c(C)c1 1875131332 RUKIDIXSYMZJKS-UXBLZVDNSA-N 428.572 6.711 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)COc1ccc(C)cc1C 1875136925 MWVKEIBPTGOZGX-UKTHLTGXSA-N 444.527 5.891 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)c(F)c3)c(Cl)c2)cc1F 1875153235 WYGNNNCFYPKJIY-FARCUNLSSA-N 446.808 5.881 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)c1cc2ccccc2n1C 1875159543 UAWJBGBGKWPIFP-NTUHNPAUSA-N 429.447 5.441 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1 1875168737 SAQUQIHSUIGDCV-NTCAYCPXSA-N 444.527 6.053 30 10 IKEE CCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1OC 1875171046 CPQOJWRKTOWJHR-BQYQJAHWSA-N 447.325 5.295 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)c(Cl)c2)cc1C 1875175646 ZNNLHHGRJOMULH-UXBLZVDNSA-N 449.890 6.289 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc1OCC 1875187826 IASQWLOFZCUJQT-MDZDMXLPSA-N 430.928 5.966 30 10 IKEE C=CCN(CC=C)C(=O)c1cc2c(NCc3ccc(Cl)cc3)ncnc2n1CC(C)C 1875211897 UDDSIASLNQNWMH-UHFFFAOYSA-N 437.975 5.167 30 10 IKEE O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(C(F)(F)F)c1C(F)(F)F 1889875850 ARXPCINDIFYAGT-UHFFFAOYSA-N 435.673 6.649 30 10 IKEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1ccc(-c2cccc(F)c2)cc1 1891654526 WZIATNLTTURELP-UHFFFAOYSA-N 427.397 5.324 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]12CCCC[C@H]1N(C(=O)OC(C)(C)C)CC2 1922059296 FRTJBJUNERUZIQ-ONBPZOJHSA-N 442.644 5.697 30 10 IKEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@@H](C#N)c1cc(Cl)cc(Br)c1 1940927997 CSULUAKYOGJEAG-LBPRGKRZSA-N 427.648 5.467 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 1944737063 UJMMOPLTASWYAM-UXHICEINSA-N 435.609 5.628 30 10 IKEE Cc1cc([C@H](CCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1C#N 1951861059 SECNEZBHOGIKCD-VWLOTQADSA-N 440.499 5.311 30 10 IKEE CC[C@](C)(CN(Cc1ccccc1)C(=O)OC(C)(C)C)Oc1cc(C#N)cc(Cl)n1 1986477871 GKXDSUAZWJAMNB-HSZRJFAPSA-N 429.948 5.591 30 10 IKEE CC#CCC[C@H](NCCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997458654 OCZAMFWLCCRIEU-JYFHCDHNSA-N 428.617 5.002 30 10 IKEE COCCCN1C(=O)C(=Cc2ccc(Cl)cc2)SC1=NCCc1ccc(Cl)cc1 2040469272 IKMKXVZBYOVMAE-UHFFFAOYSA-N 449.403 5.545 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C(C)(C)C1 2065980691 BDRZZXWDNVGBPB-VWLOTQADSA-N 449.636 5.876 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)[C@H]1C(C)(C)C 2076161437 OBAMUDIZTUTSCN-KOSHJBKYSA-N 447.551 5.495 30 10 IKEE Cc1ccc([C@H](C2CC2)n2nc(C(C)C)c(C#N)c2I)c(F)c1F 2079876751 NZCIBUNIWWMHJN-KRWDZBQOSA-N 441.263 5.069 30 10 IKEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cccc(Br)c1Cl 2081393189 VSFJWUQOFCMDSH-DOTOQJQBSA-N 429.786 5.060 30 10 IKEE CC(C)[C@@H](C)[C@@H](CNc1cc(Br)cc(F)c1C#N)NC(=O)OC(C)(C)C 2107438034 GPEIBVOYAWOOQT-SJKOYZFVSA-N 428.346 5.057 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)C(C)(C)[C@@H]1CCCCO1 2151440387 TTXCZZLAFDQBHK-MSOLQXFVSA-N 437.378 5.678 30 10 IKEE C[C@@H](Nc1ccc(C#N)c(Br)c1F)c1ccc(NC(=O)OC(C)(C)C)cc1 2162350114 HXXHCRTYYSLTLY-GFCCVEGCSA-N 434.309 5.980 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H](Nc2ccc(C#N)c(Br)c2)Cc2ccccc21 2162387575 OVDRILLLUUHLNX-KRWDZBQOSA-N 428.330 5.099 30 10 IKEE N#Cc1c(F)cc(Br)cc1NC[C@]12CCC[C@H]1CN(Cc1ccccc1)C2 2163689629 INRMIQJEDXWOQI-JTSKRJEESA-N 428.349 5.174 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1cc(Br)c2c(c1)OCCCO2 2164257627 MILYPKLAWQDGHM-OAQYLSRUSA-N 432.358 5.034 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(Nc2ccc(Br)cc2)CC12CCCC2 2194587162 WWKHRBZKNKDJEI-FQEVSTJZSA-N 434.378 5.467 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(Nc2ccc(Br)cc2)C12CCCC2 2204351291 VEXUIRFYNIJCFW-HXUWFJFHSA-N 434.378 5.467 30 10 IKEE C=CCCCCCCC[C@@H](O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2220098625 XHNJMMUFLSQQRD-SQHAQQRYSA-N 445.644 6.108 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1sc(C)c(C)c1Br 2221841047 NMQIEZXFNKPPOU-GDBMZVCRSA-N 431.440 5.638 30 10 IKEE N[C@@H](C#Cc1ccccc1Br)c1c(Br)cccc1Br 2227461844 FYTTWLWEMIBGSG-AWEZNQCLSA-N 443.964 5.026 30 10 IKEE C=CCC[C@@H](C)[C@H](NCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237478927 DLQYKWPWMGXRNU-UXPWSPDFSA-N 439.438 5.465 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(CC2CC2)C(=O)OC(C)(C)C)C[C@@H]2CCCC[C@@H]21 2246646658 KDJDVJNWRUYCKH-JXQFQVJHSA-N 433.593 5.095 30 10 IKEE Cc1cc(C(=O)N(Cc2ccccc2)[C@@H](C)C(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2247919949 UTDYRYZYFMFIQR-SFHVURJKSA-N 427.419 5.043 30 10 IKEE C=CCCC1(C(=O)Nc2ccc(Cl)c(Br)c2)CN(C(=O)OC(C)(C)C)C1 2266308872 YPHAXHIITHLBHQ-UHFFFAOYSA-N 443.769 5.244 30 10 IKEE CC(C)(C)OC(=O)NCc1cccc(Cl)c1Nc1cc(Br)ccc1C#N 2269434064 MCRNEHBERKBYOE-UHFFFAOYSA-N 436.737 5.742 30 10 IKEE CC1(C)OB(c2cccc(Nc3cc(Cl)c(Br)cc3Cl)n2)OC1(C)C 2277980454 HTIBOOALHZVAFJ-UHFFFAOYSA-N 443.965 5.194 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CN[C@H]2CCCC[C@@H]2C1 2279720731 XHYFNVQHZODHNT-LDBYXDLTSA-N 434.378 5.005 30 10 IKEE CC(C)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N(Cc2ccccc2)[C@H](C)C(C)C)c1 2281937291 XWAMIPRVOFJOQV-OAQYLSRUSA-N 449.444 5.796 30 10 IKEE C=C(CC)C[C@@](C)(OCCC(=O)O)c1cc(Br)c(Br)s1 2292126076 CQVHWINLODLROP-CQSZACIVSA-N 426.170 5.336 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)CC[C@@H](CC)NC(=O)OC(C)(C)C 2296217201 RQZKVYCLPLNIPX-WOJBJXKFSA-N 437.422 5.252 30 10 IKEE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1Cl)C2=O 2296865929 OEZQUKJEMCRQHK-UHFFFAOYSA-N 441.266 5.837 30 10 IKEE COc1ccccc1COc1ccc2c(c1)OC(=CC1=Cc3ccccc3O[C@H]1C)C2=O 2296868543 RTEUYVDLVWAUKU-KRWDZBQOSA-N 426.468 5.598 30 10 IKEE CCCN1C(=O)C(=Cc2cc(Cl)cc(Cl)c2O)SC1=Nc1ccc(OC)cc1 2297462875 WEIVKJJCZYEXGE-UHFFFAOYSA-N 437.348 5.722 30 10 IKEE O=C1C(=Cc2cccc(Cl)c2)Oc2cc(OCc3ccc(Cl)c(Cl)c3)ccc21 2314437808 XCSPJXUYEFLTPK-UHFFFAOYSA-N 431.702 6.842 30 10 IKEE Cc1cc(C)c(-c2nn(-c3ccccc3)cc2C=C2Oc3ccc(Cl)cc3C2=O)c(C)c1 2314519262 GVEFSJXCUCEEHF-UHFFFAOYSA-N 440.930 6.734 30 10 IKEE O=C1C(=Cc2ccc3c(c2)OCO3)SC(=Nc2cccnc2Cl)N1C1CCCCC1 2314540008 GTQFJUIHFWDJRY-UHFFFAOYSA-N 441.940 5.400 30 10 IKEE CCN[C@@H](C#CC1CCC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2315834190 IZGSJUNQFSYAED-MHZLTWQESA-N 425.572 6.299 30 10 IKEE CCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1cc(Br)ccc1F 2321004845 ZXBLXHGVGUUPFC-UHFFFAOYSA-N 447.377 5.533 30 10 IKEE CC(C)[C@H]1C[C@H](Nc2cc(Br)ccc2C#N)CN1C(=O)OCc1ccccc1 2321253448 QSUBRELURLHOEW-PZJWPPBQSA-N 442.357 5.168 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(C(C)C)cc1)O3)CN(CCc1ccccc1)CO2 2321937222 AXMHLPDXWGNOEW-UHFFFAOYSA-N 439.555 6.129 30 10 IKEE CCc1ccc(NC(=O)COc2ccccc2C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1 2322307719 RMVKIKRKLZWWBE-UHFFFAOYSA-N 430.460 5.071 30 10 IKEE COc1cccc(C(=O)C=Cc2c(OCC(=O)NCc3ccco3)ccc3ccccc23)c1 2322371678 OBLLQYDJTXYJEO-UHFFFAOYSA-N 441.483 5.033 30 10 IKEE Cc1ccccc1COc1ccc(Br)cc1C=CC(=O)c1ccccc1Cl 2322436567 RKSROSUNHFZATJ-UHFFFAOYSA-N 441.752 6.886 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1 2322456925 UDSUNHYLGWRWSK-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(Cl)cc2)c1OCc1ccccc1F 2322528648 QDWVMHFZFMVRSU-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccccc2)c1OCC(=O)Nc1ccccc1F 2322545857 ROAPXXHXZDATEG-UHFFFAOYSA-N 439.870 5.401 30 10 IKEE Cc1cc(O)nc(NN=Cc2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)n1 2323117175 PHAKWHXYDGCWFZ-VWLOTQADSA-N 448.530 5.292 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2cccc(OCc3ccc(F)cc3)c2)cc1 2323226225 KRKMAUBHONZMLL-UHFFFAOYSA-N 446.562 7.650 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 2323303389 QWVVXWSQJIFPMR-UHFFFAOYSA-N 429.516 6.676 30 10 IKEE COC(=O)COc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1Br 2323399730 PTZQMKKMHWVLQY-UHFFFAOYSA-N 425.278 5.050 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OC(=O)c3cccc4ccccc34)ccc2C1=O 2323472677 TWSRVDHKOKIQAY-UHFFFAOYSA-N 436.463 6.074 30 10 IKEE Cc1cc(OC(=O)c2cccc3ccccc23)cc2c1C(=O)C(=Cc1ccc(Cl)cc1)O2 2323480192 SASDDBVXPVIZIM-UHFFFAOYSA-N 440.882 6.637 30 10 IKEE CCOc1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2)C3=O)cc1 2323511849 XTJLVKPVHADAIE-UHFFFAOYSA-N 426.468 5.629 30 10 IKEE CCn1cc(C=C2Oc3cc(OC(=O)CC(C)C)cc(C)c3C2=O)c2cc(OC)ccc21 2323767411 SEEVWKWUTKAPLK-UHFFFAOYSA-N 433.504 5.546 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C 2323805507 MXSWHGSMQGWNJS-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OCC(=O)Nc1ccccc1F 2323896902 PTWKKWIFMLWHKK-UHFFFAOYSA-N 449.478 5.065 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)c(OC)cc2OC)cc(Cl)c1OCC 2324428638 BTINPEKFDAYSDS-UHFFFAOYSA-N 425.308 5.704 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(Cl)c2)ccc1OCC(=O)OCC(C)C 2324623177 BZHKSFIJEJNVPM-UHFFFAOYSA-N 446.927 5.221 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccc(Cl)cc2)c1 2325441897 XWQFYHUYKSDIEZ-UHFFFAOYSA-N 447.007 6.200 30 10 IKEE COc1ccc(C)cc1NC(=O)CCOc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O 2325471063 ATQTUSQVDOTXQQ-UHFFFAOYSA-N 447.462 5.167 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1ccc(F)cc1)O2 2325513473 NKSWNLFRTSXTTG-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccccc1F 2325535627 WNRABKBYLHLDDH-UHFFFAOYSA-N 437.371 6.241 30 10 IKEE Cc1c(OCC(=O)Nc2cccc3ccccc23)ccc2c1OC(=Cc1ccncc1)C2=O 2325707330 XPFINSODMOHVOY-UHFFFAOYSA-N 436.467 5.177 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3cc(OCc4cccc(C)c4)ccc3C1=O)cn2C 2325720646 GXROWVMHMQRNIG-UHFFFAOYSA-N 425.484 5.691 30 10 IKEE CCc1ccccc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc(F)cc1)C2=O 2325737396 IWMJLGCWGISOET-UHFFFAOYSA-N 431.463 5.330 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(C)c(C)c3)c2)c(C)c1C 2325755531 XLOLSFXVNFJVCX-UHFFFAOYSA-N 428.528 5.973 30 10 IKEE Cc1cc(C)cc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccccc2C)c1 2326426278 SFXGWWKBAGUNMU-UHFFFAOYSA-N 426.589 5.969 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1cccc(OCC(C)C)c1 2326442763 IHZHVNMXBUOBBK-UHFFFAOYSA-N 436.625 6.057 30 10 IKEE CCOc1cccc(C=Nn2c(C)nnc2SCc2ccc(Cl)c(Cl)c2)c1O 2326489473 JMYKTINZPVMCDI-UHFFFAOYSA-N 437.352 5.172 30 10 IKEE C=CCOc1ccccc1C=Nn1c(Cc2cccc3ccccc23)nnc1SCC 2327739378 LSZAACPRMVTFDH-UHFFFAOYSA-N 428.561 5.581 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2OC)n1N=Cc1cn(C)c2ccccc12 2328687892 BSHCWIBZKJUWBQ-UHFFFAOYSA-N 445.592 5.114 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2C)n1N=Cc1ccc(Cl)c(Cl)c1 2329484519 YPWXRTVCMXEQAK-UHFFFAOYSA-N 445.419 6.229 30 10 IKEE Oc1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2-c2ccccc2Cl)cc1 2329542135 CLNZGHICCYNUGV-UHFFFAOYSA-N 438.915 5.618 30 10 IKEE Cc1ccc(C(=CC(=O)N[C@@H](C(=O)Nc2ccc(C#N)cc2)c2ccccc2)C2CC2)cc1C 2329603840 NJBWLIJGJTZKHQ-MUUNZHRXSA-N 449.554 5.465 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(Cc3ccc(F)cc3)n2N=Cc2ccccc2)cc1 2329824535 NMIQPRTVSPXGPW-UHFFFAOYSA-N 447.495 5.091 30 10 IKEE Cc1ccc(CSc2nnc(CC3CCCCC3)n2N=Cc2ccccc2[N+](=O)[O-])cc1 2330221951 JFGNXWXMFFEOKH-UHFFFAOYSA-N 449.580 5.792 30 10 IKEE CC(C)c1ccc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccccc2)cc1 2330272541 HYIRPYKRLOFXSW-UHFFFAOYSA-N 432.637 6.699 30 10 IKEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)CCc1ccccc1C 2330648026 ZUYBLHXRYCXPGW-UHFFFAOYSA-N 445.471 5.346 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OC(=O)Cc1ccccc1 2330671428 PMOLVCOJCZTZEW-UHFFFAOYSA-N 436.507 6.283 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)c(OC)c2)cc1 2330770502 WXDQEQMJWQQSEE-UHFFFAOYSA-N 444.571 6.276 30 10 IKEE Cc1ccc(CSc2nnc([C@@H]3CCCO3)n2N=Cc2ccc(Cl)cc2Cl)cc1 2330888764 WABOWNZMWBTNJN-IBGZPJMESA-N 447.391 5.919 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)c1cncc(C)c1 2331136030 VZVRZXFQSQSWBR-UHFFFAOYSA-N 447.918 5.896 30 10 IKEE Clc1ccc(C=Nn2c(SCCc3ccccc3)nnc2-c2ccco2)c(Cl)c1 2331211440 GBCGXWYBFHRXLO-UHFFFAOYSA-N 443.359 6.062 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccco1 2331226520 GXONHUNOPPPCNF-UHFFFAOYSA-N 443.359 6.328 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)CCOC)c(OCC)c2)cc1 2331305982 UQWVWPALRQVAGE-UHFFFAOYSA-N 446.927 5.366 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc(C)cc(C)c3)c(OC)c2)cc1F 2331467636 OHTBDTYKIZVAFU-UHFFFAOYSA-N 434.463 5.575 30 10 IKEE Cc1ccsc1C(=O)Oc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] 2331498058 CVAJTPNCVUXKOM-UHFFFAOYSA-N 435.501 6.203 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)C(F)(F)F 2331499717 JSHUMDIMEGGHMS-UHFFFAOYSA-N 440.845 6.226 30 10 IKEE CC(C)c1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccccc1C(=O)O 2331705459 QJEDKAUNNBDMJG-UHFFFAOYSA-N 449.363 5.581 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OC(=O)[C@@H]2CCCO2)c(Cl)c1 2331743233 KXJBPLRDCFSEAE-FQEVSTJZSA-N 435.303 5.291 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cccs3)c(OC)c2)cc1Cl 2331835069 DQKDTIGZUGDQSD-UHFFFAOYSA-N 442.920 5.463 30 10 IKEE CCCCCCCCCCC(=O)c1cc(Br)ccc1OCc1ccccc1 2361164672 BYURGCRJYSAGCK-UHFFFAOYSA-N 431.414 7.742 30 10 IKEE Cc1cc(COc2cc(Br)ccc2Cl)ccc1B1OC(C)(C)C(C)(C)O1 2369684721 UVEKPVBMXXKHBF-UHFFFAOYSA-N 437.570 5.289 30 10 IKEE Oc1ccc(Br)cc1/C=N\c1ccc2oc(-c3cccc4ccccc34)nc2c1 8426874 JDTZZLWRDILTTD-WGARJPEWSA-N 443.300 6.867 30 10 IKEE CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)c(OC)c1 9861358 FNGFQLCUZHNXMT-AREMUKBSSA-N 434.536 5.401 30 10 IKEE CO/C(=N/[C@@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl)c1ccc(C)cc1 18159049 NTSSBJCZIZYUSP-PFRBSUFTSA-N 430.788 5.071 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(C(C)(C)C)cc2)C3)cc1 20881580 VRVFVDFZLXUVLB-REWPJTCUSA-N 431.576 5.777 30 10 IKEE COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2OC)C3)c1 21244316 OBJRFQJSGKKWBG-XRHLQHRESA-N 426.516 5.683 30 10 IKEE COc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(Cl)c(Cl)c2)C3)cc1OC 21256111 PSBOCZWFAJWDQU-HUUCEWRRSA-N 446.330 5.015 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(-c3ccccc3)cc2)cc1 21258137 BQXUEYPRNZDARQ-NOZRDPDXSA-N 437.539 5.757 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O)c1ccc(F)cc1 38321008 DFHFINZEIUICKT-AFPJDJCSSA-N 443.257 6.010 30 10 IKEE C=CCOc1cccc([C@@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2CCCC)c1 38705556 MTSQXRORRGMVCS-RUZDIDTESA-N 431.536 5.309 30 10 IKEE C=CCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccccc2)cc1 39825605 GSCBGVQEKVDJQD-DEOSSOPVSA-N 441.458 5.242 30 10 IKEE CCOc1ccc(/C=C2\S/C(=N/c3cccnc3)N(C3CCCCC3)C2=O)cc1OC 39863114 XOXZJUHCZPKKPM-MKIITAJQSA-N 437.565 5.426 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN(CCc2cccs2)C3)C1=O 41587434 BFZGFRGRFXJCAR-UCQKPKSFSA-N 447.556 5.466 30 10 IKEE CCCCCCCOc1ccccc1NC(=O)OCC[N+]1(CCCCC)CCCCC1 95681343 JJXPETSRQNHRJF-UHFFFAOYSA-O 433.657 6.775 30 10 IKEE CCOc1ccc(/C=C2\CS/C(=C/c3ccc(OCC)c(OC)c3)C2=O)cc1OC 96448689 IHNGRUIGEDESGY-IPLQUYIBSA-N 426.534 5.242 30 10 IKEE C/C(=N\OCc1ccc(C)cc1)c1cc(-c2ccc(F)cc2)n(-c2cccc(Cl)c2)c1C 97629500 YGLPOLQVSWXJMA-NDZAJKAJSA-N 446.953 7.494 30 10 IKEE CCCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccccc1F 100462062 QDQHRJOADQDWKR-UHFFFAOYSA-N 433.696 9.586 30 10 IKEE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1/C(=N\O)CC(C)(C)C2 101108707 MNFPXDVTWCWUNC-IMRQLAEWSA-N 438.911 6.437 30 10 IKEE CCCCCCCCCCC[C@H](O)c1cc(Br)c(Br)s1 128279396 HVORLYCOANDRDO-AWEZNQCLSA-N 426.258 7.227 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1c1ccc(F)cc1 169940618 DIKKKBNHFNMPTN-HSZRJFAPSA-N 443.430 5.363 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(OC)c3)[C@H]2c2cccs2)cc1 169989018 JABQXJCSHIACJM-QFIPXVFZSA-N 433.529 5.098 30 10 IKEE CCCCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccn2)cc1 169993609 RMLUFEKSNUCEPH-QHCPKHFHSA-N 446.934 5.861 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@H]2c2ccncc2)cc1 170020976 KEZJMFBSSGGEHU-VWLOTQADSA-N 434.495 5.580 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2)cc1 170032636 UHEIMDSFSZGEHU-HSZRJFAPSA-N 447.918 5.912 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(O)c(Cl)c1)c1c[nH]c2ccccc12 170040594 MDUPMYKZBLXIFQ-QFIPXVFZSA-N 444.874 5.310 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccccc2)c1 170054790 AHVGFTMQSBELHL-DEOSSOPVSA-N 439.467 5.220 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4cc(F)ccc4[nH]3)[C@H]2c2ccccc2)cc1C 170056320 VHBGIJWFZIPCDA-QFIPXVFZSA-N 441.462 5.102 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 170065332 WDBYRJQRUFXYJC-OAQYLSRUSA-N 439.845 5.397 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@@H]1c1ccc(OC)cc1 170115897 FPMLKAWNCLMKRU-NRFANRHFSA-N 443.927 5.126 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@H]1c1ccccc1OC 170124904 GWMKEGSLLMNXRD-HSZRJFAPSA-N 437.536 5.108 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(C)c2)cc1Cl 170148530 GZVYLNMLJUJJLW-NRFANRHFSA-N 425.912 5.178 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@H]2c2cccnc2)c1 170185702 WERBHPIFUWGTOO-XMMPIXPASA-N 442.515 5.269 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2CCC)cc1 170216196 NYAOANLNSBOMEJ-DEOSSOPVSA-N 449.547 5.179 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@H]1c1ccccc1 170223619 ZCBUXKLYKOXJMO-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@H]1c1ccccc1 170225766 MIYQSWQOUAURJE-DEOSSOPVSA-N 441.527 5.712 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1ccccc1 170229576 FSTISYNEGJBJJH-QFIPXVFZSA-N 435.426 5.065 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2F)ccc1OC(C)C 170249203 DMRFBGBQPCITKZ-XMMPIXPASA-N 445.490 5.704 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1c[nH]c2ccccc12 170256365 ICEGIHBOXQBQGO-HSZRJFAPSA-N 444.531 5.314 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2ccccc2C)c1 170271609 LUWYAABVGRUUQS-XMMPIXPASA-N 425.484 5.021 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccc(C)o2)c1 170300127 HEWLKNLWHMUAIS-VWLOTQADSA-N 437.495 6.141 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2ccc(C)c(C)c2)o1 170301867 LRCXHNVKWMHOGJ-BXKMTCNYSA-N 443.499 5.311 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2Cc2cc(C)ccc2C)cc1 170455105 QWHSEBRZVRHUTB-SANMLTNESA-N 448.607 5.660 30 10 IKEE CCCN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2O)SC1=Nc1ccc(OC)cc1 252633578 WEIVKJJCZYEXGE-HJTUMBPSSA-N 437.348 5.722 30 10 IKEE Cc1cc(C)c2oc(-c3cccc(N=Cc4cc(Cc5ccccc5)ccc4O)c3C)nc2c1 254406397 WNLSUXPCQJNUOG-UHFFFAOYSA-N 446.550 7.467 30 10 IKEE CC[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cc1C=Nc1ccc2c(c1)oc1ccccc12 254589606 KSBOFSXCICFQQR-HXUWFJFHSA-N 427.504 7.014 30 10 IKEE CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2N=Cc1cccc(C)c1 254713465 MUDMAZVWZSDGLO-UHFFFAOYSA-N 438.535 5.065 30 10 IKEE CC[C@H](C)C[C@H](C)C[C@H](C)C[C@@H](C)CCCCCCCCC1=C(C)C(=O)C=C(OC)C1=O 257463321 KHHZVKWVVWMRKC-NEWJYFPISA-N 446.716 8.231 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Br)ccc1F)NCCC 406723183 VENXZWAMHYLZFG-OALUTQOASA-N 443.401 5.358 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Br)c(Cl)c1F 407596326 WPLNRYDSPFGGAY-CJNGLKHVSA-N 435.765 5.362 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(N(C)C)cc2)cc1 526516188 OASZOZZJTNGHAI-RUZDIDTESA-N 439.515 5.080 30 10 IKEE Fc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2c[nH]c3ccccc23)cc1 526803271 VKLRQVUQZAEMNP-NTFVMDSBSA-N 441.535 5.664 30 10 IKEE Cc1ccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccc(C#N)cc2)cc1 526823641 ZOZWWPHBFLIVLN-VEILYXNESA-N 437.572 5.418 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)Cc2cccnc2)cc1 586181067 YKAVMMBZMMKNQW-UHFFFAOYSA-N 447.604 5.467 30 10 IKEE C#CCCC[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCCC 686827276 UIUFOGHPLKKMBA-DEOSSOPVSA-N 441.660 5.108 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCc2c(Br)cccc21 698480102 ZOJMUNRKPFANQB-JOCHJYFZSA-N 427.342 5.864 30 10 IKEE C[C@@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)CN1C(=O)OC(C)(C)C 698826291 JBMHDHUHQZVCJZ-WAIKUNEKSA-N 449.979 5.763 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@H](C#N)c1ccc(Cl)cc1Br 698828482 AIYLOMLZYKLBEN-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE Cc1sc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)cc1Br 698940545 OZROJMRZRAQYHN-HNNXBMFYSA-N 441.778 6.479 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@]1(C#N)CCCN(C(=O)OCc2ccccc2)C1 720793850 AVGFWULDDKGJLI-AREMUKBSSA-N 449.551 5.119 30 10 IKEE CCCCc1ccc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2cccc(CO)c2)cc1 762438853 CGAVBTFNLDCJTR-UHFFFAOYSA-O 444.580 5.004 30 10 IKEE Cc1ccc2nc(-c3ccc(N=Cc4cccc(OCc5ccccc5)c4)cc3)sc2c1 1084212151 RLVVCEFZLFJHBC-UHFFFAOYSA-N 434.564 7.601 30 10 IKEE CCOc1cc(C=NNc2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)ccc1O 1084477396 LZLHWTZCZPKDAF-UHFFFAOYSA-N 449.963 6.681 30 10 IKEE C/C=C\C(=O)N=C1SC[C@H](c2ccccc2)N1c1ccc(I)cc1 1088706794 VPNOIMNSBJLNJB-PWMZMMJKSA-N 448.329 5.044 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)SC1=Nc1ccccn1 1772731841 QZECYMVASURYJZ-VASVRFFCSA-N 446.488 5.348 30 10 IKEE CCN1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2)SC1=Nc1cccnc1 1772731853 REKDEDIVCDVQPR-MBTIHVDPSA-N 449.963 5.938 30 10 IKEE O=C(O)c1cccc(N=C2S/C(=C/c3ccc(Cl)cc3)C(=O)N2C2CCCCC2)c1 1772733442 ALXCURHREGDIEP-UFDKDONYSA-N 440.952 5.975 30 10 IKEE COC(=O)c1ccc(/C=C2\SC(=Nc3ccncc3Cl)N(c3ccccc3)C2=O)cc1 1772734506 DZOZJSHRUJCEFD-ZQCYNNBZSA-N 449.919 5.330 30 10 IKEE COc1ccc(OC)c(/C=C2/SC(=Nc3nc(-c4ccccc4)cs3)N(C)C2=O)c1 1772740341 XJAWADTUPTXANT-VLTWACRQSA-N 437.546 5.061 30 10 IKEE COc1ccc(C(=O)C[C@H]2SC(=Nc3cccc(C)c3)N(c3cccc(C)c3)C2=O)cc1 1772760220 ZSJQBFVSEIWLAF-XMMPIXPASA-N 444.556 5.721 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2cccc(C(=O)OCc3ccccc3)n2)c1 1858759789 FEJNJYFXMJCNBL-UHFFFAOYSA-N 429.520 5.529 30 10 IKEE N#Cc1ccc(COc2cccnc2NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 1858865512 HBZIOBHDTOTFNI-UHFFFAOYSA-N 446.816 5.848 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc(N2CCCC2)cc1 1860729220 BNCDJRLPVBZNDP-LFIBNONCSA-N 426.516 5.087 30 10 IKEE CCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)Cc1cc(Cl)ccc1SCC 1861006958 NCBDHWPLQYTZRP-HSZRJFAPSA-N 441.081 5.756 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC(C)C)NC(=O)c1cccc([N+](=O)[O-])c1C 1861012345 FVPCJIBUURCONI-NRFANRHFSA-N 433.593 5.305 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)c1ccccc1OCCC 1861358450 QLYZHOWDMISLCM-QHCPKHFHSA-N 432.649 6.021 30 10 IKEE CCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(Cl)c(Cl)c1 1861572693 DXRUAEGFAPFPBX-RPAADVPWSA-N 425.400 5.474 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2cccc(C)c2)cc1 1862389265 BMTROCDOILSCRT-LADGPHEKSA-N 433.548 5.095 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@H]1c1ccccc1C(=O)O 1862395236 PKYVTFLPVYHIFZ-HSZRJFAPSA-N 449.547 5.496 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 1862397249 OUUJUTNQFQSSFD-UQBPGWFLSA-N 447.619 6.704 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(Cl)cc1Cl 1862416537 PVGILNBFYYFZCZ-KRWDZBQOSA-N 426.246 5.258 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1Cl 1862432195 YQVYTZMENKJKIV-LJQANCHMSA-N 428.271 5.365 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc(Cl)c1)c1ccccc1Cl 1862432590 IJAMMFRCTKQPRB-FQEVSTJZSA-N 439.298 5.167 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc2ccccc12 1862435431 WDPSVYWLQQVQCW-XMMPIXPASA-N 447.962 6.652 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc2ccccc12 1862449055 AWEGUPHZCVXJJA-QHCPKHFHSA-N 433.935 6.262 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCCCC2)cc1O 1862480444 HFFCLUGKQWPJHV-HSZRJFAPSA-N 435.520 5.010 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862501856 MCNNUZWPAKNYMK-DEOSSOPVSA-N 447.481 5.614 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(F)cc2F)cc1 1862533573 KEYKUSXIMHSKMP-QHCPKHFHSA-N 439.502 5.828 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)c1 1862564290 WRENGSZZPWZVRW-CUHUQNRHSA-N 448.563 5.215 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(Cl)cc1 1862584313 VKQWXCOBWUECRF-BBATYDOGSA-N 438.738 6.024 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2C2CCCCC2)cc1 1862758249 ZSYMWMSLMWJXEO-HSZRJFAPSA-N 448.519 5.629 30 10 IKEE N#Cc1cccc(NC2=C(c3cccs3)C(=O)N(c3ccc(C(F)(F)F)cc3)C2=O)c1 1863113075 PYESKRAICTZGAX-UHFFFAOYSA-N 439.418 5.035 30 10 IKEE N#Cc1ccc(NC2=C(c3cccc4ccccc34)C(=O)N(Cc3ccc(F)cc3)C2=O)cc1 1863223835 AJOVNTJEJSOVOW-UHFFFAOYSA-N 447.469 5.243 30 10 IKEE CCCCCCCCNC1=C(c2ccc(Br)cc2)C(=O)N(CCC(C)C)C1=O 1863561525 HGJGVDMYKUZHRD-UHFFFAOYSA-N 449.433 5.525 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCC(C)C)=C(c2cccc3ccccc23)C1=O 1863583098 LSZNAPJOVOCZDY-UHFFFAOYSA-N 448.651 6.696 30 10 IKEE C=CCN(CC=C)c1cc(N2CC[C@@H](c3ccc4c(c3)OCO4)C2)nc(-c2ccccc2)n1 1869204394 BZPGHCZTRUFOFY-JOCHJYFZSA-N 440.547 5.045 30 10 IKEE CCCCCCCOc1cn(CCCCc2ccccc2)c(CSCCO)cc1=O 1870251873 VEHPNAHQWKJELH-UHFFFAOYSA-N 431.642 5.446 30 10 IKEE CCCCCCCOc1cn(CCCC)c(CNc2ccc(OCCCC)cc2)cc1=O 1870830755 YATVYKDRJCRTCM-UHFFFAOYSA-N 442.644 6.789 30 10 IKEE CCCCCCCOc1cn(CCCCCC)c(CNc2cccc([N+](=O)[O-])c2)cc1=O 1870839351 JFBCRHYWIKOFOM-UHFFFAOYSA-N 443.588 6.298 30 10 IKEE Cc1cc(OC(=O)/C=C/c2cccs2)cc2c1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O2 1871380692 CIMNGQNUPYKVMM-VOGWKXNRSA-N 433.441 5.200 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(C)c2)C3=O)c1 1871390204 KRSGEVSLNIUYGD-UCQKPKSFSA-N 442.467 5.454 30 10 IKEE CCOc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871407380 MAMRSOMCWHHZGP-SGMWPGOQSA-N 447.462 5.247 30 10 IKEE Cc1cc(C)c(COc2ccc3c(c2)O/C(=C\c2ccccc2OC(F)F)C3=O)cc1C 1871417125 CZKWYRZWVUWMAR-MSXFZWOLSA-N 436.454 6.408 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4c(C)cccc4C)cc(C)c3C2=O)c1 1871430056 AULISNSRVUTHCZ-DEYGKZMTSA-N 441.527 5.942 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2c(F)cccc2Cl)C3=O)c1 1871455873 ADHIVBNVVXMGJG-UUYOSTAYSA-N 437.854 5.421 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)CCCC 1871783539 GCDXSCYSXQDLFE-LJQANCHMSA-N 449.444 5.355 30 10 IKEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(F)cc1 1872018450 JRXVYGBQTSITFY-JOCHJYFZSA-N 446.588 5.107 30 10 IKEE C=CCN([C@H](C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)[C@@H](C)CC)S(=O)(=O)CCC 1872338115 HWASUFXXGWWWMG-CVDCTZTESA-N 436.662 5.514 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccccc1C)c1ccccc1)S(=O)(=O)c1cc(C)ccc1C 1872421965 JUMHRCKXQWRFLU-VWLOTQADSA-N 448.588 5.169 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1C(C)C)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1872460040 BEWHELJLASYSNU-GBXCKJPGSA-N 442.625 5.430 30 10 IKEE CCCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(CC)cc3)cs2)cc1OCC 1872761718 UDEXGQWNHKONNC-OAQYLSRUSA-N 448.588 6.440 30 10 IKEE C=CCOc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2cc(C)c(OC)cc2C)cs1 1872788042 VYLMLCPXXPVOTB-IBGZPJMESA-N 448.544 5.256 30 10 IKEE CCCCCCCCNC1=C(c2ccc(F)c(C)c2)C(=O)N([C@@H]2CCCC[C@@H]2C)C1=O 1873152974 OYPOADIHTGUCFP-PGRDOPGGSA-N 428.592 5.743 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1/N=C/c1c[nH]c2cc(Cl)ccc12 1873503783 XNXRAUFIWBZHHY-BRJLIKDPSA-N 427.936 5.679 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(Cl)c2)cc2c(NCc3ccc(C)cc3)ncnc21 1873641910 SJRWEWNAPBOUNC-UHFFFAOYSA-N 431.927 5.444 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1cccc(F)c1 1874222833 FBPPAPPIGSJZCU-WGOQTCKBSA-N 438.572 5.542 30 10 IKEE C=CCSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1ccccc1Cl 1874226582 RKHMOQWMFIYJAC-PCLIKHOPSA-N 441.000 5.720 30 10 IKEE CCCCC1CCC(c2nnc(SCC)n2/N=C/c2c(Cl)cccc2Cl)CC1 1874284883 DBMLKRYFKGMDEN-ZVHZXABRSA-N 439.456 7.043 30 10 IKEE O=[N+]([O-])c1ccccc1Cc1nnc(SCc2ccccc2)n1/N=C/c1ccc(F)cc1 1874296976 DTLAMWNBNRSXFQ-MFKUBSTISA-N 447.495 5.091 30 10 IKEE COc1cccc(/C=N/n2c(CCc3cccs3)nnc2SCc2cccc(C)c2)c1 1874370130 JTIHCGCURGXXOE-PCLIKHOPSA-N 448.617 5.616 30 10 IKEE CCc1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SCc2ccccc2C)cc1 1874373038 DXBVDKMZPUSPNV-OGLMXYFKSA-N 444.579 6.053 30 10 IKEE COc1cccc(/C=N/n2c(COc3ccccc3)nnc2SCCc2ccccc2)c1 1874384345 KWEMDHKTZSUVES-NLRVBDNBSA-N 444.560 5.083 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(C)c3)n2/N=C/c2ccc(O)cc2O)cc1 1874388522 PSPKVYMZHNEWQH-CVKSISIWSA-N 444.560 5.071 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2[C@@H]2CCCO2)cc1 1874442297 YCACHHSHTCVKTK-OINMWHHXSA-N 449.624 5.459 30 10 IKEE COc1cccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C(F)(F)F)c1 1874462630 YBTTZPLPAYDGTP-LGJNPRDNSA-N 442.466 5.633 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1/N=C/c1cccc(Br)c1 1874503786 ZVMDPCBUJCHWFP-LPYMAVHISA-N 429.387 5.476 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2ccc(Cl)cc2)c(C)c1 1874523081 UUTLMOYHFSCRGB-WYMPLXKRSA-N 439.972 5.039 30 10 IKEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1c(Cl)cccc1Cl 1874533387 GRISVEZVJDRSIE-GZIVZEMBSA-N 446.190 6.375 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCC(=O)OCC(C)C)ccc3ccccc23)c(OC)c1 1874588277 YMFRLUHMMXOOSV-OUKQBFOZSA-N 448.515 5.331 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccc(F)cc3)c2)cc1 1874593468 LGCHASFOABFXMR-LICLKQGHSA-N 431.507 6.082 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OCC(=O)Nc2cc(C)cc(C)c2)c1 1874597037 QNZOEOCMRUGYPO-MDZDMXLPSA-N 429.516 5.534 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc(Cl)c1OCCO 1874624439 DEIDKYJPOKDUBT-VQHVLOKHSA-N 432.944 5.312 30 10 IKEE CC(C)COC(=O)COc1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1 1874627388 QLEPDPLNQYWRDT-LICLKQGHSA-N 430.500 5.953 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCc3cccc4ccccc34)c([N+](=O)[O-])c2)cc1C 1874633025 INHUTZVJCNDMJB-SDNWHVSQSA-N 437.495 6.840 30 10 IKEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1OC 1874635661 RTUJREQCGKEAAK-SDNWHVSQSA-N 437.580 5.444 30 10 IKEE CCCCCCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(CC)cc1 1874684201 PGDAWUPULBEPRX-AREMUKBSSA-N 447.623 6.147 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1C 1875080322 JWYQWIKEBWPXJL-YBFXNURJSA-N 432.519 7.086 30 10 IKEE CCCC(=O)Oc1c(OCC)cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1[N+](=O)[O-] 1875098089 RMMOKAQKRGOKGD-JLHYYAGUSA-N 437.492 5.474 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)cc3)c(Br)c2)cc1 1875100592 IGUZIZTXOJGPRQ-RIYZIHGNSA-N 449.344 6.435 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)ccc1OC(=O)c1sccc1C 1875109373 LAFJCGFGYORPBP-RMKNXTFCSA-N 436.529 5.888 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3c(OC)cccc3OC)cc2)cc1 1875129503 FWWLKXTZQYPSCD-LICLKQGHSA-N 432.472 5.218 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])c1 1875136001 SBJKOXRADZQAID-UKTHLTGXSA-N 431.444 5.417 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1 1875136028 TZGSMYZZYVHKLH-WUXMJOGZSA-N 435.863 5.601 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1Br 1875136150 ZTKWSXNVYAWILH-GXDHUFHOSA-N 429.354 6.529 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)cc3F)cc2)cc1F 1875151947 AQWYFVCFQMKGDO-ONNFQVAWSA-N 426.390 5.157 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3Cl)c(Cl)c2)cc1F 1875152864 KSEAIWCJWBAMCB-RMKNXTFCSA-N 445.273 6.256 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(C(C)(C)C)cc2)cc1 1875169345 IJSWOKNMHNVQJL-CXUHLZMHSA-N 442.555 6.725 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cc(Cl)c(OC(=O)C3CC3)c(OC)c2)c1 1875171553 CDHDTJWNFLYTCV-UXBLZVDNSA-N 444.911 5.358 30 10 IKEE CC(C)C[C@H](ON=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(=O)O 1875592251 LISBNQJUUAGZKM-SANMLTNESA-N 447.531 5.694 30 10 IKEE CC1(C)OB([C@]23C[C@H]2CCN(Cc2cc(Br)ccc2Cl)C3)OC1(C)C 1879791893 FZDOGLGJUZLOTQ-KUHUBIRLSA-N 426.591 5.161 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)Cc3ccc(Cl)cc3Cl)cc21 1890583241 SLZWBWGYNLXDSR-UHFFFAOYSA-N 433.335 5.112 30 10 IKEE CCCCCCCCCCCC[C@@H](O)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 1915228041 ILNYYBHRTNOHAJ-AREMUKBSSA-N 447.704 7.876 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](CC(C)(F)F)NC(=O)OC(C)(C)C 1924653322 MHCAQWMJIDFDDC-UXHICEINSA-N 426.548 5.066 30 10 IKEE CC1(C)CC[C@@H](Nc2ccc(Br)c(C#N)c2)[C@H](CNC(=O)OC(C)(C)C)C1 1927102011 KVOAIKWXMCGUKW-MAUKXSAKSA-N 436.394 5.452 30 10 IKEE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1934339389 ZYJBRPMCBOVOKO-FGZHOGPDSA-N 433.596 5.474 30 10 IKEE CCC[C@@](C#N)(CNC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)c1cccc(OC)c1 1944407785 JSUNKKAUAXMNOM-HSZRJFAPSA-N 433.549 5.024 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 1944737062 UJMMOPLTASWYAM-PMACEKPBSA-N 435.609 5.628 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1C[C@H]2C[C@H]1CN(C(=O)OC(C)(C)C)C2 1998007728 UQBCSCUNDAEKMW-QPXUXIHVSA-N 428.617 5.021 30 10 IKEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2033647067 ZOIYJGUYKBMOPJ-XLIONFOSSA-N 449.567 5.646 30 10 IKEE CC(C)(C)OC(=O)NC1CCC2(CC1)CC(C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)C2 2056612487 BNJUHYTULYJAGP-UHFFFAOYSA-N 448.568 5.044 30 10 IKEE C#CCCC[C@@H](NC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071354728 KZQAGMBMWOWVOL-NAKRPHOHSA-N 429.560 5.270 30 10 IKEE C=CCC[C@H](C(=O)N[C@@H]1CCCCN(C(=O)C2(CC=C)CCCCC2)C1)c1ccccc1 2080466186 ZUWGTHGTIYCMMG-RPBOFIJWSA-N 436.640 5.760 30 10 IKEE COc1c2c(nc3c(-c4ccc(F)cc4C(F)(F)F)c(C(F)(F)F)nn13)CCCCC2 2081369583 GCSPVFKWUDTLKJ-UHFFFAOYSA-N 447.354 5.851 30 10 IKEE C=CCN(CC[C@@H](NCCC)c1cc(Br)ccc1C)C(=O)OC(C)(C)C 2137759491 XTPJXDYLXXXVTC-LJQANCHMSA-N 425.411 5.611 30 10 IKEE C=CCC1([C@H](Cc2cccc(Br)c2C)NCC)CN(C(=O)OC(C)(C)C)C1 2143726705 VWEKWIQKKYLHIK-IBGZPJMESA-N 437.422 5.091 30 10 IKEE CC1(C)CCC([C@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)CC1 2158489685 LWKHVMPHLVDSET-QFIPXVFZSA-N 435.406 6.689 30 10 IKEE CCCCCC#CC[C@H](O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237396007 XYPQLQQEKLBXLY-UXHICEINSA-N 438.406 5.220 30 10 IKEE C=CC1(C[C@@H](NC)[C@H](Cc2ccccc2Br)NC(=O)OC(C)(C)C)CCC1 2237428526 OMEAIZNCOYFDFX-RBUKOAKNSA-N 437.422 5.219 30 10 IKEE CCCN[C@H](CC#CC1CCCC1)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2261127892 GHBPBTWMLHJWCN-JWQCQUIFSA-N 442.644 5.439 30 10 IKEE C=CCCC1([C@@H](NCCC)c2sccc2Br)CN(C(=O)OC(C)(C)C)C1 2266307430 HZHJHPOZHZBRSN-KRWDZBQOSA-N 443.451 5.755 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Br)ccc1[C@H](O)C#Cc1ccccc1Cl 2277855412 AWGMPXVVASECCW-GOSISDBHSA-N 436.733 5.535 30 10 IKEE C=C(C)CC[C@](C)(OCCC(=O)O)c1cc(Br)c(Br)s1 2292509592 GVAAJWDIPYVWEO-AWEZNQCLSA-N 426.170 5.336 30 10 IKEE COCCN1C(=O)C(=Cc2cn(C(C)C)c3ccccc23)SC1=Nc1ccc(OC)cc1 2293986892 CFFJQCHIQBJBOM-UHFFFAOYSA-N 449.576 5.481 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(CC[C@H](N)C#Cc2cccc(Br)c2)cc1 2296217695 XJMUUYDWVZVADB-IBGZPJMESA-N 429.358 5.108 30 10 IKEE CC(C)c1ccc([C@H]2C(=C(O)c3ccc(Cl)cc3)C(=O)C(=O)N2Cc2ccco2)cc1 2296303810 KKJNQEZOLFNTKR-QFIPXVFZSA-N 435.907 5.678 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)C(=C(O)c4ccco4)[C@H]3c3cccs3)sc2c1 2296775160 SMGNDBIWXRKMJC-GOSISDBHSA-N 436.514 5.140 30 10 IKEE COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)C(=Cc3ccc(OC)c(OC)c3)C[C@@H]12 2297109888 SZBWKZHLROZHJQ-QUIZSENMSA-N 432.560 5.831 30 10 IKEE O=C1C(=CNc2cccc(F)c2)S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccsc21 2297378330 BGNAUJZHPGAUOR-UHFFFAOYSA-N 448.928 5.027 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CC[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 2298495906 GXFXTYZPSWAELF-ANEIOGAWSA-N 433.593 5.142 30 10 IKEE C=C1C[C@@H]1[C@@H](NCCC)c1sc(Br)c(Br)c1Br 2302837386 UZYQOEOOZFNTIL-OIBJUYFYSA-N 444.030 5.652 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC(=O)c3ccc(C)cc3)cc2)cc(OC)c1OC 2314430184 YHUYLNLSPVXXRA-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE CCCN[C@@H](C#CCSC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2314640129 VNUCWRSKTJRUOJ-INIZCTEOSA-N 427.408 5.203 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCC2(CN(C(=O)OC(C)(C)C)C2)C1 2317575759 HRHIAJQGFQANGX-RUZDIDTESA-N 441.572 5.420 30 10 IKEE Cc1ccc(C)c(COc2ccc3c(c2C)OC(=Cc2c(Cl)cccc2Cl)C3=O)c1 2321758170 ZYPLXQNCTHXTAT-UHFFFAOYSA-N 439.338 7.114 30 10 IKEE COC(=O)c1ccc(C=C2Oc3c(ccc4c3CN(CCC3=CCCCC3)CO4)C2=O)cc1 2322106780 PWNJQDOZULUXQL-UHFFFAOYSA-N 445.515 5.132 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(C(C)C)cc1)C3=O)CN(CCCCN(C)C)CO2 2322383890 BSAYSOFWGVDTFJ-UHFFFAOYSA-N 434.580 5.228 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(C(C)(C)C)cc1)C3=O)CN([C@H]1CCCC[C@@H]1C)CO2 2322391843 VMXHXVSVYWLXHI-UUOWRZLLSA-N 445.603 6.639 30 10 IKEE CCN(CC)C(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccc(OC)c(C)c1 2322415132 CYLQETXKVOLGAE-UHFFFAOYSA-N 431.532 5.300 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCC(=O)NC3CCCCC3)ccc3ccccc23)cc1 2322450216 XKTZNDQHOHVEOI-UHFFFAOYSA-N 443.543 5.572 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccccc2OCc2cccc(Cl)c2)c1 2322856890 HAYZSVLTUFZEIW-UHFFFAOYSA-N 436.935 6.613 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)c4cccc(Cl)c4)ccc3C2=O)cc1OC 2322906460 ZKTIURQOOPYOAB-UHFFFAOYSA-N 436.847 5.193 30 10 IKEE CCOc1cc(C=NNc2ccc(OC)c(Cl)c2)ccc1OCc1ccccc1Cl 2322924904 RHGOSHKVICYYJG-UHFFFAOYSA-N 445.346 6.426 30 10 IKEE CCCNC(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc(OC)c2ccccc12 2323019036 LOZLXESLNAFBFU-UHFFFAOYSA-N 437.923 5.303 30 10 IKEE CCCCCCCCCOc1ccc(C=NNc2nc3ccccc3s2)cc1OCC 2323153651 QCIRCTVNWQQISJ-UHFFFAOYSA-N 439.625 7.270 30 10 IKEE Cc1c(OC(=O)CC2CCCCC2)ccc2c1OC(=Cc1cn(C)c3ccccc13)C2=O 2323485546 VZGJISCZERMSGP-UHFFFAOYSA-N 429.516 5.979 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Cl)c1OCc1ccc(C)cc1 2323758413 IEVUPMLXZZWWBR-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE CCCOC(=O)COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1Br 2323790569 SGBUFTWFFGZWRN-UHFFFAOYSA-N 437.717 5.331 30 10 IKEE Cc1cc(O)c(CN2CCCC[C@@H]2C)c2c1C(=O)C(=Cc1ccc(Br)cc1)O2 2324010205 DWPRUBNLSSQIEO-HNNXBMFYSA-N 442.353 5.454 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OCCCOc4ccccc4)ccc3C2=O)cc1 2324234642 IOBALDWAHRJREL-UHFFFAOYSA-N 443.543 5.997 30 10 IKEE CCCOc1c(Cl)cc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)cc1OCC 2324331177 BMUZJLLKPGDMRX-UHFFFAOYSA-N 443.754 6.739 30 10 IKEE C=C(C)COc1c(Br)cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1OC 2324354021 TVKMMSJGDREDBY-UHFFFAOYSA-N 443.381 6.542 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OCc1cc(C)ccc1C 2324545355 WDTUFERWBRBEHV-UHFFFAOYSA-N 448.990 7.366 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(C(C)C)cc2)cc2c1C(=O)C(=Cc1ccc(F)cc1)O2 2325318499 SUOHGAHZQBUZHL-UHFFFAOYSA-N 445.490 5.891 30 10 IKEE CCOC(=O)c1ccc(COc2cc(C)c3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)o1 2325402114 IOCWOUQOEOYCGU-UHFFFAOYSA-N 438.863 5.613 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cc(OC)ccc1OC 2325532388 GAUSCPVOQJJNQP-UHFFFAOYSA-N 444.988 5.466 30 10 IKEE COc1ccc(CCOc2ccc3c(c2)OC(=Cc2ccc(Cl)c(Cl)c2)C3=O)cc1 2325631374 YNLWTOPUCUNWTQ-UHFFFAOYSA-N 441.310 6.240 30 10 IKEE CCc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2F)C3=O)cc1 2325722668 APSVIYNPJZSCGA-UHFFFAOYSA-N 431.463 5.330 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1OC(=O)Cc1ccc(C)c(C)c1 2325727231 CNQSRFLTIJQHGV-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C)c(Cl)c4)cc(C)c3C2=O)cc1 2325729363 KWUUHKLJSMDDJA-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cccc(F)c3)c2)c2ccccc12 2325777415 ZJZHFOAQJNLYON-UHFFFAOYSA-N 426.443 6.103 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1ccc(N(CC)CC)cc1 2326414303 GRWDHHZJWMXBDR-UHFFFAOYSA-N 435.641 5.868 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1ccc(C(F)(F)F)cc1 2326450736 JEDKWDRQJDFPJN-UHFFFAOYSA-N 446.542 6.431 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1ccc(Cl)c(Cl)c1 2326458369 HUFBNXMCQCWDAV-UHFFFAOYSA-N 447.435 6.719 30 10 IKEE CCCCCCCOc1ccccc1C=Nn1cnnc1SCc1cccc(Cl)c1 2326466242 UNAAZHCTATWOEM-UHFFFAOYSA-N 443.016 6.455 30 10 IKEE CCOc1ccc(C=Nn2cnnc2SCc2cccc3ccccc23)c(OCC)c1 2326632647 MAQCDTZHBFNITJ-UHFFFAOYSA-N 432.549 5.403 30 10 IKEE CCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1c(OC)ccc2ccccc12 2326677624 XXJYRGZVETVADP-UHFFFAOYSA-N 441.560 5.439 30 10 IKEE CCCCOc1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2Cl)cc1 2326692801 YFKWCNNNVLDONH-UHFFFAOYSA-N 435.380 5.938 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1cc(Cl)ccc1O 2328791198 ICLFPVZOPNYCNA-UHFFFAOYSA-N 442.972 5.383 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1ccccc1OC(C)C 2328945475 DRFRHJOIEAVTLZ-UHFFFAOYSA-N 448.636 6.018 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3)n2N=Cc2cccn2C)cc1C 2328945697 YSKWMMRNKMCFIQ-UHFFFAOYSA-N 429.593 5.193 30 10 IKEE Cc1ccccc1CSc1nnc(CCOc2ccccc2)n1N=Cc1ccccc1F 2329159119 ZKJBPLRUHZCABR-UHFFFAOYSA-N 446.551 5.522 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(F)cc3)n2N=Cc2cc(C)ccc2O)cc1 2329799763 VKWVILQDJAKFID-UHFFFAOYSA-N 446.551 5.505 30 10 IKEE Cc1ccccc1C=Nn1c(Cc2cccs2)nnc1SCc1ccc([N+](=O)[O-])cc1 2330359051 JDYPIWCGBMWPNC-UHFFFAOYSA-N 449.561 5.322 30 10 IKEE O=[N+]([O-])c1ccccc1C=Nn1c(SCc2ccc(F)cc2)nnc1-c1ccccc1 2330637158 FABVGDYUWUIVDS-UHFFFAOYSA-N 433.468 5.167 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(OCC)c3)cc2)cc1 2330825822 OGXLKBZMGBQKMJ-UHFFFAOYSA-N 428.528 6.543 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2Cl)n1N=Cc1cccc([N+](=O)[O-])c1 2330846648 YWVZODUUXQBSGC-UHFFFAOYSA-N 443.960 5.603 30 10 IKEE CCc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2[C@H]2CCCO2)cc1 2330965823 SAKBJXBYRIGMAZ-HXUWFJFHSA-N 426.973 5.520 30 10 IKEE Fc1ccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C2CCCC2)cc1 2331081442 GRBVCEIEWMEZMX-UHFFFAOYSA-N 449.382 6.556 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2C(F)(F)F)cc1 2331141312 OYKIJABAGWGDAN-UHFFFAOYSA-N 434.487 5.569 30 10 IKEE Cc1ccccc1CCC(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 2331149749 JLZBNQKGFWWJSD-UHFFFAOYSA-N 449.890 5.991 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)Cc1cc(C)ccc1C 2331259928 URZAPEAFSAALID-UHFFFAOYSA-N 444.527 5.673 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)COc1ccccc1OC 2331282035 VYQAISDXTBUPPJ-UHFFFAOYSA-N 446.499 5.283 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)c1ccccc1C 2331312497 DNQLOHIIIMBKEV-UHFFFAOYSA-N 434.919 6.389 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1Cl 2331416313 BERQNJQNENNUTD-UHFFFAOYSA-N 426.984 7.409 30 10 IKEE Cc1ccc(CSc2nnc(CC(C)C)n2N=Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1 2331425333 ZNXZEDJRMVYVRL-UHFFFAOYSA-N 443.960 5.521 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)Cc1cc(C)ccc1C 2331508629 JFDLPVMNWNOIND-UHFFFAOYSA-N 442.555 6.480 30 10 IKEE O=C(Cc1ccc(Cl)c(Cl)c1)Oc1ccc(C=CC(=O)c2ccc(F)cc2)cc1 2331512783 MJKMIVLGRMDAON-UHFFFAOYSA-N 429.274 6.177 30 10 IKEE COCc1nnc(SCc2ccccc2C)n1N=Cc1c(OC)ccc2ccccc12 2331555048 MUXLQYPALFPXGF-UHFFFAOYSA-N 432.549 5.069 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)ccc1OC(=O)c1ccco1 2331638751 HSPRYEVCOQRLGQ-UHFFFAOYSA-N 447.270 5.719 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(C=CC(=O)c3cc(C)cc(C)c3OC)cc2)c1 2331659501 OURAKLNVGJLCMI-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)C(C)(C)C)c(Br)c2)cc1C 2331846130 WEISFOWKKIFONH-UHFFFAOYSA-N 445.353 5.922 30 10 IKEE CC1(C)OB(C=Cc2ccc(N[C@H]3C[C@H]4C[C@@H](C3)N(Cc3ccccc3)C4)nc2)OC1(C)C 2365053767 SJVJMBUFOAUKSA-HJOGWXRNSA-N 445.416 5.191 30 10 IKEE COc1c(O)cccc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2367227733 TUFROADEFZRLTE-MRXNPFEDSA-N 433.302 5.170 30 10 IKEE CC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(OC(F)F)cc3)c2C#N)C1 2792134 YSDXAPCZFLBDEP-VQCVXAJWSA-N 430.520 6.024 30 10 IKEE Cc1ccc(/N=C2\N=C(SCC(=O)O)N(c3cccc(Cl)c3)C23CCCCC3)cc1 8702106 WHFNNEVACWCYPG-DAFNUICNSA-N 441.984 6.075 30 10 IKEE COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(SC)cc2)c1 20886381 AHSPAJMDKOYKAJ-WINIVTDRSA-N 442.584 6.397 30 10 IKEE COc1cccc(-n2c(SCCCC#N)nc3sc4c(c3c2=O)CCCCC4)c1 21128210 GPXLKRZSFBCXEP-UHFFFAOYSA-N 425.579 5.121 30 10 IKEE COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(OC)c2O)c1 21235744 VBAPPWJIOWARIS-QLXKLKPCSA-N 442.515 5.389 30 10 IKEE Cc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccc(C(C)(C)C)cc1)C2 21258032 RZGIGPNXAXZKKS-ONOMSOESSA-N 436.599 7.272 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NC1CCCC1)[C@@H]2c1ccc(F)cc1 21722166 ZANWQEGAPSFBSQ-RUZDIDTESA-N 447.554 6.094 30 10 IKEE COc1ccc(/C=C2/Oc3cc(OCc4ccc(Br)cc4)ccc3C2=O)cc1 33378352 WKGZBWAIZFAMMS-WSDLNYQXSA-N 437.289 5.653 30 10 IKEE C=C(C)[C@@H](CC=C(C)C)Cc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3O)oc12 33832192 WAAPHYJTKSTXSX-AWEZNQCLSA-N 438.476 5.079 30 10 IKEE biogenic COc1ccc(/C=C\C(=O)c2nc3ccccc3n2Cc2ccccc2Cl)cc1OC 34897620 TVHUKQMPMAEWIL-QBFSEMIESA-N 432.907 5.651 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 34955291 NRTXQOJRVFDXIG-LZYBPNLTSA-N 444.527 6.117 30 10 IKEE C=C(C)C(=O)NCCCc1nc2ccccc2n1CCCCOc1ccc(Cl)c(C)c1 35144747 GAGWFILWZMNIIG-UHFFFAOYSA-N 439.987 5.482 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC)c2)[C@@H]1c1ccc(OCCC)cc1 40101033 OTFCARGSNGJIAF-QHCPKHFHSA-N 437.536 5.253 30 10 IKEE CC(=O)C1=C(C)Nc2nc(SCc3ccccc3F)nn2[C@@H]1c1ccc(C(C)C)cc1 54641591 OQYZFBXYJZZAOK-JOCHJYFZSA-N 436.556 5.711 30 10 IKEE C=C(C)COc1cccc(NCC(=O)Nc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)c1 66063161 XCKJJFMHOHTOTF-FQEVSTJZSA-N 443.547 5.183 30 10 IKEE CC(C)Oc1ccc(/C=C2\S/C(=N/c3cccc(Cl)c3Cl)NC2=O)cc1Cl 96540919 QJHJGFVRCCFXEU-SXGWCWSVSA-N 441.767 6.326 30 10 IKEE CCCCCCCC1CCC(c2ccc(C(=O)Oc3ccc(CCCCC)cc3)cc2)CC1 97950118 NGMTWVKHRCXBTL-UHFFFAOYSA-N 448.691 9.273 30 10 IKEE C=CC/N=C\C1=C(Sc2ccccc2)c2sc(NC(C)=O)c(C(=O)OCC)c2CC1 102111855 JXPDJVCCSVRKKS-OYKKKHCWSA-N 440.590 5.590 30 10 IKEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 102601612 PGFHTKZSXLUQRR-FEYWKWKCSA-N 431.919 5.313 30 10 IKEE CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(C)cc2)cc1 103220626 YZYOGDQIWSWHSP-SADKCHQCSA-N 448.544 5.093 30 10 IKEE O=C1C(=O)N(c2ccc(F)cc2)[C@@H](c2cccc(F)c2)/C1=C(/O)c1ccc(Cl)cc1 103228039 DNOPMMFDKDKMMA-LCPUNJGISA-N 425.818 5.245 30 10 IKEE CCOc1c(Cl)cc([C@@H]2NC(=S)N(C)C(C)=C2C(=O)c2ccccc2)cc1Cl 169934957 YIGPMUDBPXFVHE-SFHVURJKSA-N 435.376 5.410 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2ccncc2)cc1 170019343 SMEXRAHMSOCGNH-QFIPXVFZSA-N 432.907 5.389 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccccc2)c1 170055184 BAUHPWNKRWTGCN-XMMPIXPASA-N 429.491 5.264 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2c[nH]c3ccccc23)cc1C 170078434 KKENFWMDLLRJIV-DEOSSOPVSA-N 444.531 5.396 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccc(C)c2)cc1C 170139222 YCEVMIAIQQFJCC-JOCHJYFZSA-N 433.529 5.152 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2cccc(C)c2)c1 170141031 GFBPCTQWPSBMBX-AREMUKBSSA-N 433.507 6.240 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccnc2)cc1C 170184986 JZKAAYGHOYOWEL-QHCPKHFHSA-N 446.478 5.101 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2cccnc2)cc1 170185854 DHRPKPZSWLILRA-DEOSSOPVSA-N 442.515 5.214 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccncc2)c1 170200501 JIXPUNHQQMDHSR-RUZDIDTESA-N 434.495 5.635 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(Cl)c3)[C@@H]2c2ccncc2)cc1 170204481 YLIUIHRGGVHQJM-FQEVSTJZSA-N 439.298 5.480 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccncc2)cc1C 170209483 DUDDMCCXZNXYEY-QHCPKHFHSA-N 434.536 5.090 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2)cc1C(C)C 170230375 JDCHJTNGMPRVKQ-DEOSSOPVSA-N 445.515 5.499 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccc(F)cc2)c1 170239144 DORGKLUVBWUECX-QHCPKHFHSA-N 447.462 5.101 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(O)c2)cc1C(C)(C)C 170264188 ILBPGMHBUDLKSH-QHCPKHFHSA-N 449.547 5.219 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccccc2C)cc1 170272820 WVFOBGKCMRRCGA-XMMPIXPASA-N 438.483 5.048 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)=C(O)C(=O)N1C1CCCCC1 170275540 VTJVRHHNOMKWMJ-MZNJEOGPSA-N 431.532 5.229 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2ccco2)c(C)c1 170284189 CVQZSLAIEAKPGB-NRFANRHFSA-N 437.879 5.341 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2ccc(C)o2)cc1C 170297833 IPRXIQIUOWXLPW-QHCPKHFHSA-N 447.487 5.087 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1c1ccccc1O 170314564 BRZYOIQFDPJZQQ-FQEVSTJZSA-N 431.469 5.291 30 10 IKEE CCCCCCCCNc1nc(NCCCCCCCC)nc(Nc2ccc(O)cc2)n1 197572482 BTOFTXZZDYWFFU-UHFFFAOYSA-N 442.652 6.866 30 10 IKEE CCOc1ccc(N=C/C(=C/Nc2ccc(OCC)cc2)c2ccc([N+](=O)[O-])cc2)cc1 254818049 FSEDIKOTDROGPS-AUHZYGIBSA-N 431.492 6.248 30 10 IKEE Cc1ccc(C(C)C)c(OCCCOc2ccccc2C=NNc2ccc([N+](=O)[O-])cc2)c1 254896341 TUUFBQSLMZFIEO-UHFFFAOYSA-N 447.535 6.321 30 10 IKEE O=S(=O)(c1ccc(N=Cc2ccccc2OCc2ccccc2)cc1)N1CCCCCC1 257354656 ZBNPSTUKPBQBBQ-UHFFFAOYSA-N 448.588 5.581 30 10 IKEE C[C@@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)Nc1ccc(C#N)cc1Br 312143028 RGMOHNWLUSBDER-RDJZCZTQSA-N 436.394 5.691 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3Cl)[C@@H]2c2cccc(F)c2)cc1 526490176 FAFUDFDZDGJXJY-NRFANRHFSA-N 439.273 6.061 30 10 IKEE CCCOc1c(/C=N\n2c(CCC)nnc2SCc2ccc(F)cc2)cccc1OC 526802134 DPZLGJQCFOYLNL-MYYYXRDXSA-N 442.560 5.342 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1c(Cl)cccc1Cl 526806940 AFRRAQSQIFNKNZ-YVNNLAQVSA-N 425.772 5.975 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1ccc(Cl)c(Cl)c1 526809153 VWDRKXBSCWONKW-CFRMEGHHSA-N 433.408 6.410 30 10 IKEE Clc1ccc(CSc2nncn2/N=C\c2c(Cl)cccc2Cl)cc1Cl 526813826 AQKBIDSWPGZSMN-HOEBFWFUSA-N 432.163 6.066 30 10 IKEE CCCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1/N=C\c1c[nH]c2ccccc12 526827829 JYGHBFZVRAWCKQ-YSMPRRRNSA-N 447.564 5.063 30 10 IKEE C=CCN(CC(=O)c1ccc(F)c(C)c1)S(=O)(=O)c1ccc(CCCCCC)cc1 586180752 VHZHEKAFHPZEIR-UHFFFAOYSA-N 431.573 5.317 30 10 IKEE C=CCCN(c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586251375 MBFBNCGPBCTLIO-UHFFFAOYSA-N 427.488 5.654 30 10 IKEE C[C@H]1CCCC[C@@H]1NC(=O)Nc1cccc(C(=O)Nc2scc(C(C)(C)C)c2C#N)c1 586639294 MCVKCDFCRFDKKL-YWZLYKJASA-N 438.597 5.870 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(OCCCC)c(OC)c2)S/C1=N/c1ccc(O)cc1 1614237219 ZAQQVZJBGWMNDG-XAFFKLEKSA-N 438.549 5.370 30 10 IKEE C=CCCCCCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CC[C@@H](C)C1 1760419228 LTTWLUWPMJQVBJ-MOPGFXCFSA-N 434.588 5.213 30 10 IKEE CCN1C(=O)/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)SC1=Nc1cccnc1 1772731911 RTSBYUYQQZCYST-MBTIHVDPSA-N 449.963 5.938 30 10 IKEE C=CCN1C(=O)/C(=C\c2cccc(OCc3ccc(C)cc3)c2)SC1=Nc1cccnc1 1772732182 VIOPYAUDRVXLJO-OFYGDPCRSA-N 441.556 5.759 30 10 IKEE Cc1cc(C)cc(NC(=S)N/N=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c1 1857811310 NYDNWHGVTMOMAS-DICXZTSXSA-N 443.551 5.616 30 10 IKEE COCCCN(C(=O)c1ccc(C(C)C)cc1)[C@@H](C#N)c1cccc(Br)c1 1857958315 JOVJMLQWWYKWKS-NRFANRHFSA-N 429.358 5.316 30 10 IKEE N#Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)n(-c3ccc([N+](=O)[O-])cc3)n2)cc1 1859387813 WXYSWOYUDDLPBA-UHFFFAOYSA-N 443.850 5.225 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)c1ccccc1C(F)(F)F 1861045426 TXKQCYLTFWHCIV-GOSISDBHSA-N 432.552 5.034 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)c1c(Cl)ccc(Cl)c1Cl)c1ccccc1 1861963277 RNZTXLMBBHFWHC-IBGZPJMESA-N 437.754 5.319 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(Cl)cc2Cl)n(Cc2ccccc2F)n1 1862331879 QRTLPTMGSJSCBS-UHFFFAOYSA-N 444.337 5.859 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2cccc(F)c2)cc1C 1862401549 DEOHCJOGTXQCCV-XMMPIXPASA-N 445.490 5.230 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccccc1C 1862430004 ZVDZYOIIMCOVBH-MBSDFSHPSA-N 439.983 6.586 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc(F)cc1)c1ccccc1Cl 1862430035 AOIMGSYPFSWYQM-QFIPXVFZSA-N 435.882 5.300 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(F)cc1)c1c(F)cc(F)cc1F 1862457451 PJXCDJUFQBRADM-HXUWFJFHSA-N 433.401 5.154 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2cc(Cl)cc(Cl)c2)cc1 1862481437 AHUYLRLKSQBUMX-AZUAARDMSA-N 446.330 5.059 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc(C(C)C)cc2)c1 1862493484 QMPRVPUVPIIBIC-OLLUBJOZSA-N 445.603 6.584 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc(Cl)c2)ccc1F 1862502913 LKFXQRPAOURCQK-OAQYLSRUSA-N 427.903 5.699 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccccc2C(=O)O)cc1 1862532491 COKDDPUARWKXMB-YTJPUZGESA-N 447.531 5.104 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@@H]2c2ccc(C)cc2)cc1 1862534482 URSOXCVMNUGENU-RUZDIDTESA-N 441.527 5.345 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(F)cc2F)cc1 1862535007 VYIDQPGZQCZIKM-OAQYLSRUSA-N 439.483 5.367 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(Cl)cc1Cl 1862563096 VNDDSWSUKVSUAA-IBGZPJMESA-N 433.335 5.200 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)cc1 1862663968 ZAYMUDPHGWYYLA-XMMPIXPASA-N 447.481 5.867 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2cccc3ccccc23)cc1 1862692700 RLIAGVPQEJHAOM-DEOSSOPVSA-N 429.516 5.473 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@@H]2c2ccccc2C)c1 1862698954 OXAQZBYMMNYZTQ-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCC2=CCCCC2)c1 1862735777 AYRGIKXQCAAUBW-QHCPKHFHSA-N 446.503 5.372 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(C(C)C)cc1 1862757691 MGTHSESJFIDIOZ-JOCHJYFZSA-N 436.508 5.343 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccccc2C)=C(c2ccccc2OC)C1=O 1863429608 JUQKQLSEZOPEMV-UHFFFAOYSA-N 448.607 6.336 30 10 IKEE CC(C)c1ccc(/C=C/C(=O)Nc2c(C#N)nnn2Cc2c(Cl)cccc2Cl)cc1 1870107463 JVJKULPLOYYASO-DHZHZOJOSA-N 440.334 5.280 30 10 IKEE Cc1c(Cl)cccc1-n1nnc(C#N)c1NC(=O)/C(=C\c1ccccc1)c1ccccc1 1870142831 WVRRBIOOKIOWET-HKWRFOASSA-N 439.906 5.280 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)Nc1c(C#N)nnn1-c1ccc(C(C)(C)C)cc1 1870154579 YVLBSHWERIZTTR-UHFFFAOYSA-N 444.322 5.004 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2C)c(CN2C[C@@H](C)C[C@@H](C)C2)cc1=O 1870412841 KJKWVDAGBIGZNE-ZRZAMGCNSA-N 438.656 6.032 30 10 IKEE C=CCOc1cn(Cc2ccccc2Cl)c(CNc2ccc(Cl)c(C)c2)cc1=O 1870809939 CXASWMZBGMFZJZ-UHFFFAOYSA-N 429.347 5.689 30 10 IKEE C=CCOc1cn(Cc2ccccc2F)c(CNc2cccc(C(F)(F)F)c2)cc1=O 1870813680 WESBOBRWWGHRHD-UHFFFAOYSA-N 432.417 5.231 30 10 IKEE CCCCCCCOc1cn(CCCCCO)c(CNc2cccc(Cl)c2C)cc1=O 1870838360 ZZBTZJNHRHCFPI-UHFFFAOYSA-N 449.035 5.934 30 10 IKEE Cc1nc(-c2ccc(Oc3ccc(Cl)cc3)cc2)sc1C(=O)Nc1ccc(C#N)cc1 1871275309 WQCGPRJSWXLJIE-UHFFFAOYSA-N 445.931 6.688 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)ccc2C1=O 1871373712 GCEQOSFPTUOPJQ-FBHDLOMBSA-N 435.819 5.392 30 10 IKEE Cc1c(OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)ccc2c1O/C(=C\c1cccs1)C2=O 1871377381 ILKDZVVULAHRCF-WAYKPHQQSA-N 433.441 5.200 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OC(=O)/C=C/c4ccc(C(C)C)cc4)c3C)C2=O)o1 1871379887 LFRGQLGDTBZERI-FEXCUZOGSA-N 428.484 6.255 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc([N+](=O)[O-])cc4)cc(C)c3C2=O)cc1 1871381821 FNCIINDTGFJGNG-FDTILGBMSA-N 441.439 5.447 30 10 IKEE Cc1cc(OC(=O)/C=C/c2ccccc2)cc2c1C(=O)/C(=C/c1cn(C)c3ccccc13)O2 1871385327 MVMOXYWEFYFQOL-ACPWXVOUSA-N 435.479 5.722 30 10 IKEE Cc1cc(O)c(CN2CCC(Cc3ccccc3)CC2)c2c1C(=O)/C(=C/c1ccncc1)O2 1871395566 WPVSXLFRLHVFMY-UQQQWYQISA-N 440.543 5.167 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871410249 BUEXCTGKJHVNPS-MGKUZBKYSA-N 441.527 5.888 30 10 IKEE Cc1c(O[C@@H](C)C(=O)Nc2ccc(C#N)cc2)ccc2c1O/C(=C\c1ccccc1F)C2=O 1871436135 NJWLEDMUHCGSME-YOBACFSGSA-N 442.446 5.028 30 10 IKEE COc1ccc(CCOc2cc(C)c3c(c2)O/C(=C\c2cccc(OC)c2OC)C3=O)cc1 1871448730 XSDKGLLSWXOHAF-IWIPYMOSSA-N 446.499 5.259 30 10 IKEE CCCCCCCCN=c1[nH]c(=N[C@H](C)c2ccccc2)[nH]c(=N[C@H](C)c2ccccc2)[nH]1 1871462153 LEVVLRQGRLBWEK-FGZHOGPDSA-N 446.643 5.256 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1cccs1 1871820690 BWFJIYZKPLKRNY-NRFANRHFSA-N 448.654 5.465 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccccc1C)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 1872419175 ROXUEJRPLZCGDF-VWLOTQADSA-N 448.588 5.250 30 10 IKEE CCc1sc([C@@H](C#N)C(=O)CSc2ccccc2)nc1-c1ccc(OC)c(OC)c1 1872728129 OVTVYNUBRWBMNC-KRWDZBQOSA-N 438.574 5.358 30 10 IKEE N#C[C@@H](C(=O)/C=C/c1ccc(F)cc1)c1nc(-c2ccc(Br)cc2)cs1 1872765074 GNSMUMXLXHHIHA-QYSIDVQXSA-N 427.298 5.601 30 10 IKEE CCc1cccc(C)c1N1C[C@@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)CC1=O 1872769907 CRAMZEBOZRKWPA-LEWJYISDSA-N 443.572 5.219 30 10 IKEE CCOC(=O)Oc1ccc(C(=O)[C@H](C#N)c2nc(-c3cccc4ccccc34)cs2)cc1 1872775687 XPCYSFUMZKPDAO-NRFANRHFSA-N 442.496 5.989 30 10 IKEE Cc1cc(OCC(=O)[C@H](C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)ccc1Cl 1872778227 GXNKGDGDQZTNGE-IBGZPJMESA-N 438.980 6.261 30 10 IKEE N#C[C@H](C(=O)CCCOc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)s2)cs1 1872789431 IVIGFIBLTYSFEG-CQSZACIVSA-N 437.373 6.214 30 10 IKEE O=C(Nc1ccc(F)c(F)c1F)c1ccc(COc2c(F)c(F)c(F)c(F)c2F)cc1 1872864730 QILAOSKJHSMNHV-UHFFFAOYSA-N 447.281 5.631 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2Cl)C(=O)N([C@H]2CCCC[C@@H]2C)C1=O 1873032392 QTYKKGXGLLOLJN-RXVVDRJESA-N 431.020 5.949 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(C)cc2C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422616 GJHBEYYCGUZREJ-UHFFFAOYSA-N 425.532 5.089 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(F)cc1)n2Cc1ccccc1 1873656999 RGBNDQBPVYEPPD-UHFFFAOYSA-N 441.510 5.049 30 10 IKEE N#Cc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(Cc3ccccc3)C23CCCCC3)cc1 1873866854 HDTJGZCRRNZXRK-AREMUKBSSA-N 449.554 5.639 30 10 IKEE Cc1[nH]nc(-c2ccc(F)cc2)c1CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1874181143 JGXSJCBCCCQBHM-UHFFFAOYSA-N 445.338 5.743 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(COc3c(C)ccc(C)c3C)nnc2SC)cc1 1874253577 DNBWIQLFHUJSFD-MFKUBSTISA-N 437.613 5.233 30 10 IKEE Cc1ccccc1CSc1nnc(COCc2ccccc2)n1/N=C/c1ccc(F)cc1 1874353123 SCNLEODNKVRMAH-JFLMPSFJSA-N 446.551 5.617 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3F)n2/N=C/c2cccc(O)c2)cc1 1874373262 KSKCFDQAYVOZSP-CVKSISIWSA-N 432.524 5.197 30 10 IKEE Cc1ccccc1/C=N/n1c(Cc2ccc(F)cc2)nnc1SCc1cccc(F)c1 1874380546 YUBVFFAFGDNVLC-JFLMPSFJSA-N 434.515 5.630 30 10 IKEE CCOc1cccc(/C=N/n2c(Cc3ccc(C)cc3)nnc2SCc2ccccc2)c1 1874389684 ZEHCSSGJRLPFGW-OVVQPSECSA-N 442.588 5.751 30 10 IKEE Fc1ccc(CSc2nnc(Cc3cccs3)n2/N=C/c2c[nH]c3ccccc23)cc1 1874410341 ORMPFHNVEWFHFH-VULFUBBASA-N 447.564 5.725 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccccc3F)nnc2-c2cccs2)cc1O 1874422535 RIVJJRUHMPBHSP-FSJBWODESA-N 440.525 5.034 30 10 IKEE CCOc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2-c2cccs2)cc1 1874422797 FWFVGTSJHTXBOK-JJIBRWJFSA-N 434.590 5.622 30 10 IKEE COc1ccccc1/C=N/n1c(CC(C)(C)C)nnc1SCc1ccccc1Cl 1874438701 OJYJHPCREUMSSQ-ZVHZXABRSA-N 428.989 5.703 30 10 IKEE Cc1ccc(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2ccc(Cl)c(Cl)c2)cc1 1874442139 UFDPLJBKEXHPOR-OGBFJMLUSA-N 447.391 5.919 30 10 IKEE CCCCc1nnc(SCCC)n1/N=C/c1ccc(OCc2ccccc2)c(OC)c1 1874479032 FJHFXQYRZVPSIZ-KOEQRZSOSA-N 438.597 5.593 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCC(=O)NC3CCCCC3)nnc2C(C)(C)C)cc1 1874484942 WEJPDOKWSRMLAM-MFKUBSTISA-N 441.645 5.122 30 10 IKEE CCCc1nnc(SCc2ccccc2C)n1/N=C/c1cccc(Br)c1 1874505435 XSCMYGQVLQSBTD-LPYMAVHISA-N 429.387 5.476 30 10 IKEE Cc1ccc(CSc2nnc(C(C)C)n2/N=C/c2cc(Br)ccc2F)cc1 1874509126 MMEWFZSHAFYDQN-FOKLQQMPSA-N 447.377 5.786 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl 1874575139 XPWVXKKQMMIPLR-YRNVUSSQSA-N 428.271 6.377 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(F)c(C)c2)c1OCc1c(Cl)cccc1Cl 1874581614 XGLLVFXUJQHTLU-ZRDIBKRKSA-N 445.317 6.925 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1 1874586131 XUDWTQFHMYTMRG-UXBLZVDNSA-N 441.354 7.094 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2cc(C)ccc2C)c(OC)c1 1874589673 XSRXQTCMSYYNCD-SDNWHVSQSA-N 432.516 5.804 30 10 IKEE COc1cc(Br)cc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)c1OC 1874590362 HPGZYCSQMAUBIK-SNAWJCMRSA-N 446.124 5.678 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OCc3c(Cl)cccc3Cl)c2)cc1 1874596274 KVHNSOWOBVZPHC-NTEUORMPSA-N 427.327 6.867 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3F)c(Br)c2)cc1 1874609323 KOYHFGZAPBINPP-WUXMJOGZSA-N 441.296 6.072 30 10 IKEE C=C(C)COc1c(Cl)cc(/C=C/C(=O)c2cccc(Br)c2)cc1OCC 1874610090 ZWOFOXARJDHJCS-CMDGGOBGSA-N 435.745 6.352 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1 1874611008 XBVFEASWIYJQMN-CXUHLZMHSA-N 430.460 5.071 30 10 IKEE CCCOC(=O)COc1c(Cl)cc(/C=C/C(=O)c2cc(C)ccc2C)cc1OCC 1874618003 DZQQSEZDDVNXEY-MDZDMXLPSA-N 430.928 5.584 30 10 IKEE CCCOC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OCC 1874618913 ZGMFNKRTUMIGCW-RMKNXTFCSA-N 434.891 5.414 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(OC)c1OCC(=O)OCC(C)C 1874619987 CQJXZGQBYPIYTO-DHZHZOJOSA-N 440.511 5.345 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)NCCC)cc2)cc1 1874625601 MTHZFVQPMJZZJT-WOJGMQOQSA-N 437.580 5.837 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OCc1cc(C)ccc1C 1874626601 MRYCEUJHNSFIGV-JLHYYAGUSA-N 444.571 6.803 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)c(Cl)c2)cc1C 1874631633 MUWZWRCGCOBRNV-XEDBTPMOSA-N 447.962 6.109 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OCc1ccccc1F 1874637973 BRAMBLZWYTVMCM-UXBLZVDNSA-N 431.290 6.616 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OCc1cccc(F)c1 1874638009 DCMKFOYVHZBDNB-WEVVVXLNSA-N 431.290 6.616 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)cc1 1874695970 BQJSMUBGYAYNLJ-FOWTUZBSSA-N 443.499 6.361 30 10 IKEE COc1cccc(CCC(=O)Oc2cc(/C=C/C(=O)c3ccc(F)cc3)ccc2OC)c1 1874709876 MLCCYYNURCDHNM-AWNIVKPZSA-N 434.463 5.277 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccccc2[N+](=O)[O-])c1 1874713123 HLKRIZGLSXEKOQ-VAWYXSNFSA-N 431.444 5.336 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3cc(C)cc(C)c3)c(OC)c2)cc1 1875100151 QPIKKHODMUIZIJ-FMIVXFBMSA-N 444.527 5.998 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1 1875104606 FXMKDBOVTQMCQC-MDWZMJQESA-N 427.283 6.117 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)cc3)cc2)cc1 1875112640 MXOLPYDLNWDRSH-VXLYETTFSA-N 444.527 5.918 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1 1875114067 BTHJQNJMTLCUCH-MDWZMJQESA-N 439.280 5.632 30 10 IKEE O=C(Cc1ccccc1F)Oc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] 1875121377 MLNXXVSECWTBQR-CSKARUKUSA-N 439.826 5.432 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3[N+](=O)[O-])c(Cl)c2)cc1 1875133532 ZHHJKTUSIUECHZ-XYOKQWHBSA-N 435.863 5.601 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc([N+](=O)[O-])c1OC(=O)CC(C)(C)C 1875133894 KYGMXBULZMHNCB-PKNBQFBNSA-N 439.508 5.848 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OC(=O)c1ccccc1 1875150593 VJNOWECZZNPQMK-VQHVLOKHSA-N 436.847 5.193 30 10 IKEE Cc1ccccc1CCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1Cl 1875155725 QXYKAZSUHQKGOS-OVCLIPMQSA-N 446.974 7.206 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2ccc(F)cc2)cc1 1875161204 DVTUVQNOJWZKGM-OQLLNIDSSA-N 446.518 6.176 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)C(C)(C)C)c([N+](=O)[O-])c2)c1 1875172459 VMSHJWMLOMYXSP-DHZHZOJOSA-N 441.480 5.240 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)c1cnccn1 1875185532 XOWPNFBMXKXLMY-DHZHZOJOSA-N 444.531 5.597 30 10 IKEE CCCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)cc1OC 1875187186 OJCPFKDGYCUXJP-CSKARUKUSA-N 432.900 5.358 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2ccc(OC(C)=O)c(Br)c2)cc1Cl 1875187389 AIGNBJMSQRQSHG-HWKANZROSA-N 444.108 5.586 30 10 IKEE CC1(C)C[C@@](C#N)([C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CO1 1875631969 CZHIHBDGTUCRPW-IAPPQJPRSA-N 443.543 5.587 30 10 IKEE O=C(NCc1ccc(OC(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1C(F)(F)F 1892144132 OBNKEJSMGKPJRS-UHFFFAOYSA-N 431.254 5.553 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1)NCCC 1922069731 SUPXSVSHIAYXJQ-SGNDLWITSA-N 430.633 5.459 30 10 IKEE Cc1cc(C#N)ccc1NCCCONC(=O)OCC1c2ccccc2-c2ccccc21 1959291084 XZOVZYKNHXTYFF-UHFFFAOYSA-N 427.504 5.139 30 10 IKEE CC(C)(C)OC(=O)N(CCN=[N+]=[N-])[C@]1(C#N)CCC(F)(F)C[C@@H]1OCc1ccccc1 1998813603 ILXHOIIMTGXTGD-PXNSSMCTSA-N 435.475 5.201 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1c(Cl)cccc1Cl)c1cccnc1 2033814324 OORMGQNEBRIUQI-GOSISDBHSA-N 445.327 5.228 30 10 IKEE COc1ccccc1-c1nnc(S[C@H](C)C(=O)C=C2N(C)c3ccccc3C2(C)C)o1 2040490411 OHTXOTIBCSORPK-OAHLLOKOSA-N 435.549 5.106 30 10 IKEE C=CC1(C[C@@H](NCC)C2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)CCC1 2049039104 BMJHWIKIIVCGKR-HSZRJFAPSA-N 441.660 5.270 30 10 IKEE CCCCCC#CC[C@H](NC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2083434248 QJJIVHRJINBRGT-IGKIAQTJSA-N 442.644 5.392 30 10 IKEE CCn1cnc(Cl)c1[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2118679270 FZLGKFRVQPXYJL-AWEZNQCLSA-N 439.741 5.325 30 10 IKEE CSc1cccc(Nc2ccc(Cl)c(I)c2Cl)c1C#N 2150321332 PHLACUCNGZEGBX-UHFFFAOYSA-N 435.117 5.935 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCCC[C@]12CCNC2 2156247266 JCEMMYDAABLGRB-RTWAWAEBSA-N 434.378 5.007 30 10 IKEE Cc1cc(Oc2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)cc(C)c1Cl 2172630213 KFHAKNGPVKSYQZ-UHFFFAOYSA-N 438.558 5.206 30 10 IKEE CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1Cc1ccc(C#N)cc1Cl 2174566888 ZWKRGHVXJLPIEH-FGZHOGPDSA-N 425.960 5.223 30 10 IKEE Cc1ccc(C(=O)Nc2ccc(C#N)cc2Br)cc1NC(=O)OC(C)(C)C 2181144501 VEHMSCZOXSRVLS-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](Nc2cc(Br)ccc2C#N)C[C@@H]1C1CCC1 2194110719 DRQYQIMHRTXEOU-PKOBYXMFSA-N 434.378 5.301 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCCC)c2cc(Br)cc(OC)c2)C1 2201018216 QFEKEHMVMLXDCW-SFHVURJKSA-N 439.394 5.112 30 10 IKEE C=C(Cl)C[C@H](NCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2221682299 KWNVWJDTJKFNQG-IRXDYDNUSA-N 431.802 5.006 30 10 IKEE O=C(C#Cc1ccccc1Br)c1cccc(Br)c1Br 2227476253 OEIIWTKHJDULGO-UHFFFAOYSA-N 442.932 5.209 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)[C@H]([C@@H](C)CC)N(C)C(=O)OC(C)(C)C 2235721693 BFKMGVINIKQMRN-DBVUQKKJSA-N 437.422 5.060 30 10 IKEE CC(C)[C@H](CCNC(=O)OC(C)(C)C)CC[C@@H](O)C#Cc1ccccc1Br 2235740252 NNBBYMALGRGIHM-PKOBYXMFSA-N 438.406 5.129 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCC[C@H](C(C)(C)C)C1 2238182912 YLMHBENFMGTRLI-AOMKIAJQSA-N 435.406 6.689 30 10 IKEE CC1(C)OB(c2ccc(Cl)c(C(=O)N(Cc3ccccc3)CC3CCC3)c2)OC1(C)C 2255770305 OZYWFWMLMPROHU-UHFFFAOYSA-N 439.792 5.082 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCCN(C(=O)OC(C)(C)C)CC2)cc1 2259676955 YTCQVUDQRHDTQW-RUZDIDTESA-N 443.588 5.810 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C(=O)C#Cc2ccc(Br)cc2)cc1Cl 2278800791 JXAIWBUXCOZZGM-UHFFFAOYSA-N 434.717 5.684 30 10 IKEE C=CC[C@H](C)[C@H](NCCC)[C@](C)(O)c1cc(Br)c(Br)s1 2281227644 YKTOWJICEPKOFK-VZJVUDMVSA-N 425.230 5.061 30 10 IKEE CC1(C)OB(c2ccc3cc(C(=O)N(Cc4ccccc4)C4CCC4)ccc3c2)OC1(C)C 2281831036 TZZISOSXXRPJRT-UHFFFAOYSA-N 441.380 5.334 30 10 IKEE Cc1ccc(NC2=CC(=NS(=O)(=O)c3ccc(Cl)cc3)c3ccccc3C2=O)cc1 2293308256 ZLDXHGPVIOWJRQ-UHFFFAOYSA-N 436.920 5.019 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)C[C@H](CC(C)C)NC(=O)OC(C)(C)C 2296266791 MDWWOIKKCFIBFW-UXHICEINSA-N 437.422 5.108 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 2296797046 KMLLDMKCWPJFHI-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE CCCCCCCCOc1ccc(C=C2N=C(c3cccc(Cl)c3Cl)OC2=O)cc1 2297412733 MCUIUKATYMKOCQ-UHFFFAOYSA-N 446.374 7.077 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3c(ccc4c3CN(CCc3cccs3)CO4)C2=O)cc1 2322193418 OHUQEYHGDQAGIL-UHFFFAOYSA-N 445.584 6.056 30 10 IKEE Cc1cccc(CN2COc3c(cc4c(c3C)OC(=Cc3ccc5c(c3)OCO5)C4=O)C2)c1 2322430142 DKXRADKLFQCXJT-UHFFFAOYSA-N 441.483 5.000 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(F)cc2F)c1OCc1cccc(C)c1 2322501926 ZMTIBCDUMKMKEJ-UHFFFAOYSA-N 428.862 6.410 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2cccc(Cl)c2)c1OCCc1ccccc1 2322524956 MQXCIVWPMAXLDE-UHFFFAOYSA-N 427.327 6.520 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)N(CC)CC)cc1 2322611800 SKBHZVNNRSMSHX-UHFFFAOYSA-N 429.944 5.272 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(Cl)cc2C=CC(=O)c2cc(C)ccc2C)cc1 2322617429 DPGDFJUUYCLDGV-UHFFFAOYSA-N 433.935 6.179 30 10 IKEE Cc1cc(OC(=O)c2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1cn(C)c3ccccc13)O2 2322699014 USXPJRBKMPXFTR-UHFFFAOYSA-N 443.886 5.976 30 10 IKEE CCc1ccccc1NC(=O)COc1ccccc1C=CC(=O)c1c(C)cc(C)cc1C 2322945317 RYWCKVGTWNHCFA-UHFFFAOYSA-N 427.544 6.088 30 10 IKEE CCOc1cc(C=NNc2nc(C)cc(O)n2)ccc1OCc1c(Cl)cccc1Cl 2323106138 VOFOIYORDBTOHW-UHFFFAOYSA-N 447.322 5.221 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OCC(=O)N[C@H](C)c3ccccc3)c2)cc1 2323134880 PNVWRBDKBAMJBW-HXUWFJFHSA-N 429.516 5.238 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(N(C)C)cc2)C3=O)cc1C 2323248256 VEVXOQIBKVOJOH-UHFFFAOYSA-N 427.500 5.513 30 10 IKEE COc1ccccc1C=C1Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3C)cc(C)c2C1=O 2323260735 XGHDKISYMCAGDF-UHFFFAOYSA-N 445.427 5.056 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCc3ccccc3Cl)c2)c(OC)c1 2323283096 NBAABNAWOOYQNE-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1 2323631219 XUTPJLVIAQUFQC-UHFFFAOYSA-N 432.447 5.696 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 2324190828 UJEWLXFIRUTEAU-UHFFFAOYSA-N 445.317 7.006 30 10 IKEE Cc1c(OCCCOc2ccccc2)ccc2c1OC(=Cc1cn(C)c3ccccc13)C2=O 2324234773 PINUEVNAIINPMK-UHFFFAOYSA-N 439.511 5.951 30 10 IKEE Cc1c(O[C@@H](C)C(=O)OC(C)C)ccc2c1OC(=Cc1ccc(Cl)cc1Cl)C2=O 2324305503 UMMACWQLNJXKKH-ZDUSSCGKSA-N 435.303 5.637 30 10 IKEE Cc1c(OCCOc2ccccc2F)ccc2c1OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2324857764 CSDNWRHNZPUMQG-UHFFFAOYSA-N 446.518 6.506 30 10 IKEE CCc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2325722515 DXSARVYJLPJMGY-UHFFFAOYSA-N 447.918 5.845 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2cccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 2325746332 ZLTXKLWUXOIMEG-UHFFFAOYSA-N 426.556 6.645 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cccc(OC(=O)Cc2ccccc2F)c1 2325763328 PTISTUMNAUUGFB-UHFFFAOYSA-N 438.882 5.840 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)c2)c(C)c1 2325764926 ORPFETWSYVOKOG-BJKOFHAPSA-N 444.958 6.870 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)c(OC)cc2OC)cc(Br)c1O 2325796893 GYBFCUBTIYXMSY-UHFFFAOYSA-N 441.705 5.120 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1N=Cc1cccc(Cl)c1Cl 2326637739 VNHQZWYIKUGOLA-UHFFFAOYSA-N 441.387 6.475 30 10 IKEE C=CCSc1nnc(COc2ccc(OCC)cc2)n1N=Cc1ccc(Cl)cc1 2326688851 AZHMQMDVTUQXRK-UHFFFAOYSA-N 428.945 5.070 30 10 IKEE CSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1ccc(Cl)cc1Cl 2327147469 XSNSQISSOHYDBW-UHFFFAOYSA-N 435.380 5.509 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2ccccc2Cl)n1N=Cc1cccnc1 2327927414 JNRQQFRFBGYZEN-UHFFFAOYSA-N 447.995 5.595 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2Cl)n1N=Cc1cccc([N+](=O)[O-])c1 2327951033 PNPKLFRVJCQOAD-UHFFFAOYSA-N 441.944 5.175 30 10 IKEE COc1ccc(OCc2nnc(SCc3ccccc3F)n2N=Cc2ccccc2)cc1 2328386564 WOJUGDCVYPERCC-UHFFFAOYSA-N 448.523 5.179 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2ccccc2)n1N=Cc1cccs1 2328556652 WTYGMQLGQAQEFU-UHFFFAOYSA-N 434.590 5.710 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(OC)cc2)n1N=Cc1ccc(OCC)cc1 2328576468 RUWGWMYQMYZKTP-UHFFFAOYSA-N 436.581 5.021 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccccc1 2329477941 LEYCMVDSIINNCD-UHFFFAOYSA-N 430.552 5.685 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 2330620163 AIGUAHHNTMVNMJ-UHFFFAOYSA-N 445.471 5.428 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)cc1)c1cccc([N+](=O)[O-])c1 2330622005 WPKANUCYCOIIIX-FGZHOGPDSA-N 447.874 5.853 30 10 IKEE CN(C)c1ccc(C=Nn2c(SCc3ccccc3F)nnc2-c2ccccc2)cc1 2330674992 KMBHOJQWQGJKMS-UHFFFAOYSA-N 431.540 5.325 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3ccccc3)c(OC)c2)cc1 2330770305 PDXLJFPFFMJZSD-UHFFFAOYSA-N 444.527 5.918 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccco2)c([N+](=O)[O-])c1)c1cccc(Br)c1 2331003938 QQUYFOKYEQHGOB-UHFFFAOYSA-N 442.221 5.066 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)COCc3ccccc3)c([N+](=O)[O-])c2)c(C)c1 2331225446 XGPLNNVYJVAKPF-UHFFFAOYSA-N 445.471 5.230 30 10 IKEE CCCCC(=O)Oc1c(OCC)cc(C=CC(=O)c2ccc(C)cc2C)cc1[N+](=O)[O-] 2331228713 KFSQOKXRLGRFMJ-UHFFFAOYSA-N 425.481 5.602 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)Cc1ccccc1 2331286518 CQCDQAZJMHMFMD-UHFFFAOYSA-N 426.512 5.776 30 10 IKEE COCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1c(F)cccc1Cl 2331304994 BUYNDTLHIGWPDS-UHFFFAOYSA-N 439.343 5.087 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCSC)c(OC)c2)cc1 2331312056 AFRRTAXDSZWWKL-UHFFFAOYSA-N 428.550 5.429 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)c(F)c2)c(Cl)c1)c1ccc2c(c1)OCO2 2331439783 LUWNXXMGDMKAIL-UHFFFAOYSA-N 442.801 5.462 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c(F)c2)cc1OCC 2331463382 BWJZNKDRRBWTAI-UHFFFAOYSA-N 428.500 6.005 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc3ccccc23)cc(OC)c1OC(=O)c1ccncc1 2331484219 WEVUOSHDWIYYQT-UHFFFAOYSA-N 449.506 6.087 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)Cc1ccccc1F 2331510426 IMBANBBBUDFICV-UHFFFAOYSA-N 442.845 5.671 30 10 IKEE Oc1ccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C2CCC2)cc1 2331532416 XZYHQMUMWGJHEK-UHFFFAOYSA-N 433.364 5.733 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)Cc1ccc(F)c(C)c1 2331534509 TUIIPGHKHSNTMO-UHFFFAOYSA-N 436.454 5.716 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)CCc1cccc(OC)c1 2331535363 RHSCRCXBANTHML-UHFFFAOYSA-N 448.490 5.667 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)c1ccncc1 2331554706 BOJPINXSUPOFMB-UHFFFAOYSA-N 429.806 5.137 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1ccccc1OC 2331657578 CQYFUFKJDMHNMF-UHFFFAOYSA-N 444.527 6.053 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(C)cc2)c(Cl)c1 2331661779 PYKPPEMSVOYXBT-UHFFFAOYSA-N 434.919 6.389 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc(Cl)c1OC(=O)CC(C)C 2331665306 FRSZTAMBUHKTQY-UHFFFAOYSA-N 444.955 6.212 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)C3CCCC3)c(Cl)c2)c2ccccc12 2331868918 IMFYGVFGXILQOG-UHFFFAOYSA-N 434.919 6.494 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(Cl)ccc2OC)cc(OC)c1OC(=O)CCC 2331883164 LNHMNHLDOJILNG-UHFFFAOYSA-N 428.912 5.687 30 10 IKEE CC(C)(C)c1ccc(C=CC(=O)Nc2c(C#N)nnn2-c2cccc(C(C)(C)C)c2)cc1 2332188653 IEJLDIXJRNMLBE-UHFFFAOYSA-N 427.552 5.386 30 10 IKEE N#Cc1cc(Br)cc(OCc2c(Br)cccc2Br)c1 2340648710 ZDNCHYUVPXGKAJ-UHFFFAOYSA-N 445.936 5.425 30 10 IKEE Cc1ccc2oc(-c3ccc(/N=C/c4ccc(OCc5ccccc5)cc4)cc3O)nc2c1 1882741 CIIAHVZJUUXQMV-STBIYBPSSA-N 434.495 6.838 30 10 IKEE CCCCCCCCNC(=O)c1cnn2c(C)c(Cc3cccc(Cl)c3)c(C)nc12 3033479 DFEQLWBQZHFVDP-UHFFFAOYSA-N 426.992 5.681 30 10 IKEE COc1ccc(C(=O)C[C@@H]2S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1 15055140 KEHBYNGCHFUSBQ-QWEPBSKHSA-N 444.556 5.721 30 10 IKEE Cc1cccc(/N=C2\S[C@H](CC(=O)c3ccc(Cl)cc3)C(=O)N2c2cccc(C)c2)c1 15055185 SWKVMWDRHCQJDM-YXTXPOHNSA-N 448.975 6.366 30 10 IKEE C=CCOc1ccc2c(c1)C(=NNc1ccc([N+](=O)[O-])cc1)c1cc(OCC=C)ccc1-2 20615557 UNRDWAMVNFNOHS-UHFFFAOYSA-N 427.460 5.569 30 10 IKEE CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2c(F)cccc2Cl)cc1 21247715 GJCFSJAJEYSPIH-NVXWUHKLSA-N 425.931 5.781 30 10 IKEE C=C(C)C(=O)NCCCc1nc2ccccc2n1CCCCOc1ccc([C@H](C)CC)cc1 35144760 SXKYVRNJUJQADG-JOCHJYFZSA-N 447.623 6.034 30 10 IKEE C=CCN1C(=O)/C(=C(\C)c2ccc(Br)cc2)S/C1=N/c1cccc(C)n1 39863499 RJDTVPHNVCXSHH-UFBXYIFPSA-N 428.355 5.333 30 10 IKEE C=CCOc1ccc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCCCC)cc1 39910684 MCCORKNBHKXARF-HSZRJFAPSA-N 431.532 5.710 30 10 IKEE C=CCc1ccc(OCCCn2c([C@@H](C)NC(=O)C(C)(C)C)nc3ccccc32)c(OC)c1 40190066 LFCLGXZHHXZRJD-LJQANCHMSA-N 449.595 5.466 30 10 IKEE C=CCc1ccc(OCCn2c(/C=C/c3ccc(Cl)cc3)nc3ccccc32)c(OC)c1 40238543 VROXQXSWACULJB-FOWTUZBSSA-N 444.962 6.676 30 10 IKEE Cc1c(Cl)cccc1NC(=O)c1oc2c(c1C)/C(=N/Nc1ccc(F)cc1)CCC2 40823831 CVOPCWNUGBBTHG-TURZUDJPSA-N 425.891 6.094 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1ccc2c(c1C)O/C(=C\c1sccc1C)C2=O 41289964 YOXRFXJPUUGAKA-UNOMPAQXSA-N 436.485 5.218 30 10 IKEE COc1cc(C(=O)/C(=C\c2ccc(Cl)cc2)c2nc3ccccc3o2)cc(OC)c1OC 43685288 BNCCOTVXLZZPAN-LDADJPATSA-N 449.890 5.931 30 10 IKEE C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2/C=N/c2ccc3c(c2)oc2ccccc23)[C@H](C)C1 59500158 MYJMTEJTKDRHMF-RJWBXXOCSA-N 427.504 6.870 30 10 IKEE Cc1ccc(/C=N/c2cc3c4c(c2)[C@@H](c2ccccc2)CCN4CC[C@H]3c2ccccc2)cc1 59506184 PTPQCPAIVCLWCS-MRDBGVBGSA-N 442.606 7.623 30 10 IKEE C=CCn1c(SCCC(=O)Nc2ccccc2Br)nnc1-c1ccccc1 59776045 ABBQZIALLYPHMN-UHFFFAOYSA-N 443.370 5.015 30 10 IKEE CCOc1ccc(C(=O)/C=C\c2cn(C[C@H](O)CN3CCCCCC3)c3ccccc23)cc1 96498730 REJABDIKGFAATL-ODTUPPAISA-N 446.591 5.173 30 10 IKEE C[C@H](/N=C\c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1ccccc1 100092790 NHIVKJVPLGQPJF-ONOBAXHDSA-N 429.567 7.222 30 10 IKEE CCCCCCCSc1nnc2c(n1)O[C@H](c1ccc(C)s1)Nc1ccccc1-2 100792566 QCUABLRJAKZXDL-HXUWFJFHSA-N 426.611 6.474 30 10 IKEE CCCCCCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(Cl)cc1 101285103 NCCJNVWWEFQHKA-HSZRJFAPSA-N 437.971 6.492 30 10 IKEE N#C[C@H](C(=O)c1cc(Br)c(Br)s1)c1c(F)cccc1Cl 128467119 FGVRSIWADKMKNA-LURJTMIESA-N 437.515 5.556 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/Nc2ccc(OC)cc2)cc1Br 169885397 IROWBMZKBMPZQB-XIEYBQDHSA-N 447.417 7.033 30 10 IKEE Sc1nnc(CCc2ccccc2)n1/N=C\c1ccc(OCc2ccccc2)c(Cl)c1 169911325 DIDXNYGLWULWDY-QQXSKIMKSA-N 448.979 5.467 30 10 IKEE COc1ccc(/C=N\Nc2nc(-c3ccc(F)cc3)cs2)c(Br)c1OC 169941898 GGBLNWJWKBUBBQ-NKVSQWTQSA-N 436.306 5.175 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1cccc(C)c1 169972517 KBTBXRRZKLTXOJ-DEOSSOPVSA-N 445.490 5.230 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(C)c(C)c2)=C(N2CCCc3ccccc32)C1=O 170001589 GCUJXAGUKJHQOA-UHFFFAOYSA-N 444.619 6.197 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@@H]2c2cccnc2)cc1C 170009358 PVMOGVVRYDKVLB-JOCHJYFZSA-N 432.907 5.443 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2C)c1 170037418 YIRFOQACJTWEAZ-QHCPKHFHSA-N 431.463 5.316 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccccc2F)cc1C 170069999 VDRMTJQRPRHQQX-QFIPXVFZSA-N 446.434 5.134 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2cccc(C)c2)cc1C 170140370 VLLYKMTXOPIPSN-XMMPIXPASA-N 445.490 5.542 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2cccs2)cc1 170160404 CHQNBEASISLCTE-QFIPXVFZSA-N 449.528 5.334 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccc2)cc1C 170224177 SWUAXKDPLOJOQR-XMMPIXPASA-N 427.500 5.403 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccccc1 170228922 SQSWMQCSBKWFBT-XDHUDOTRSA-N 425.484 5.101 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1ccc(Cl)cc1 170236502 FJXFEGWUKUTKPR-OAQYLSRUSA-N 427.928 5.424 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccc(F)cc2)c1 170238806 XTGLCMLEWMYFPH-QHCPKHFHSA-N 431.463 5.316 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2cccc(O)c2)c1 170258504 FKJJKBZGZZMTIA-VWLOTQADSA-N 435.479 5.637 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(Cl)c3)[C@H]2c2ccco2)cc1 170284662 YJNZNKDBFBHVLD-LJQANCHMSA-N 444.270 5.378 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(Cl)c3)[C@H]2c2ccco2)cc1C 170285002 ZXYLCYNTIKRESJ-HXUWFJFHSA-N 442.298 5.986 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccco1)c1ccc2ccccc2c1 170296186 NVIYTMVLBPMHQE-HSZRJFAPSA-N 427.431 5.350 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@H]1c1sccc1C 170315599 WIQZISZNBWIGQC-QFIPXVFZSA-N 445.540 5.473 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C(C)(C)C)cc2)cc1 170326333 ZXTLMILGPVVEKT-XMMPIXPASA-N 441.527 5.776 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1ccc(OC(C)C)cc1 170335336 RRQCRUYEDKMWNS-XMMPIXPASA-N 443.499 5.265 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)c(Cl)c2)c1 170380110 RXKNNLWGKMVDAT-NRFANRHFSA-N 438.310 6.085 30 10 IKEE CCCCCCCCP(=O)(CCCCCCCC)CC(=O)N(CCCC)CCCC 196398823 KTMJSSQZMADLLX-UHFFFAOYSA-N 443.697 8.499 30 10 IKEE Cc1ccccc1/C=N/N=C1/S/C(=C/c2ccc(N(C)C)cc2)C(=O)N1Cc1ccco1 210611517 MKTRHMGNFZSGSC-SZVVGYTGSA-N 444.560 5.161 30 10 IKEE C=C[C@@H]1c2ccccc2N(S(=O)(=O)c2ccc(C)cc2)[C@H]1C(=O)c1ccc(Cl)cc1 220747542 VWMVDXOXCBVOSZ-NFBKMPQASA-N 437.948 5.378 30 10 IKEE C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C/c1ccc(OC(F)F)cc1)C2=O 252512660 UILXPFRZQGQVFT-CWEZVVOXSA-N 442.546 6.174 30 10 IKEE O=[N+]([O-])c1cc(C=Nc2c(-c3ccco3)nc3ccc(Cl)cn23)c(Cl)cc1Cl 252605853 GNMIPJKISWRCRN-UHFFFAOYSA-N 435.654 6.213 30 10 IKEE CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2C)SC1=Nc1cccc2ccccc12 252628106 SIDJDATZBYQNHC-QFIPXVFZSA-N 431.561 5.437 30 10 IKEE O[C@@](Cc1ccccc1)(c1ccccc1)c1ccccc1N=Cc1ccc(Cl)c(Cl)c1 254312189 TZQAMRXGNMSWBK-MHZLTWQESA-N 446.377 7.223 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccc(OC)c2)cc1 526486725 QTIGADLIIQDMAV-DEOSSOPVSA-N 426.472 5.023 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccc(O)c2)cc1Cl 526523597 YSBAKSSRELAWRY-QHCPKHFHSA-N 446.890 5.373 30 10 IKEE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2sccc2C)c1 526607318 PFUZBHAZIZXESE-NRFANRHFSA-N 432.501 5.003 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Nc3ccccc3)cc2)[C@H]1c1ccccc1)c1ccccc1 526772202 FTHZCCKEBJKROJ-SANMLTNESA-N 446.506 6.213 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(O)c(Cl)c2)cc1 526773190 PLIPMUVIQJBPGY-HSZRJFAPSA-N 447.918 5.952 30 10 IKEE CCc1nnc(SCc2ccccc2)n1/N=C\c1ccc(OCc2ccccc2)cc1 526799768 OPNUFZCKABBNCP-ONUIUJJFSA-N 428.561 5.594 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1/N=C\c1ccc(OCC)c(OCC)c1 526803554 ZRJQKFJTBWRIMF-MYYYXRDXSA-N 442.560 5.342 30 10 IKEE CCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccc(C)cc2C)c(OCC)c1 526811114 BKOMILFVMZCMIP-MYYYXRDXSA-N 438.597 5.429 30 10 IKEE Cc1[nH]c2ccccc2c1/C=N\n1cnnc1SCc1ccc(Br)cc1 526819234 FRITVKNZBGUBSN-YVNNLAQVSA-N 426.343 5.005 30 10 IKEE Cc1c(CCC(C)C)c(=Nc2ccc(Cl)c(Cl)c2)n2c([nH]c3ccccc32)c1C#N 607736404 VWRCZRMYQCRSLQ-UHFFFAOYSA-N 437.374 6.729 30 10 IKEE C[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)CCN1C(=O)OC(C)(C)C 698850453 JPHNDEQANMOYGN-MWTRTKDXSA-N 449.979 5.763 30 10 IKEE O=[N+]([O-])c1ccc(C=Nc2ccc3nc(SCc4nc5ccccc5[nH]4)sc3c2)cc1 1083910289 QLLCDNJZLVQNJD-UHFFFAOYSA-N 445.529 6.124 30 10 IKEE COc1c(Br)cc(C=Nc2cc(C(C)C)c(O)cc2C)cc1Br 1084215406 PSIOWTCVFHYDDM-UHFFFAOYSA-N 441.163 6.108 30 10 IKEE Cc1ccc(N=Cc2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)c(Br)c1 1084267871 ZHEKBBJHYBTQBB-UHFFFAOYSA-N 445.744 6.267 30 10 IKEE Fc1ccc(NC(=S)NN=Cc2ccc(-c3cc(Cl)c(Cl)cc3Cl)o2)cc1 1088728741 XZXCKNJVIIECOO-UHFFFAOYSA-N 442.730 6.366 30 10 IKEE CSc1nc(O)c(C(=O)Nc2ccc(Oc3ccc(F)cc3)c3ccncc23)cc1C#N 1121020673 SHXSATRSYDIFJP-UHFFFAOYSA-N 446.463 5.113 30 10 IKEE O=C1/C(=C\c2ccc(Cl)cc2)SC(=Nc2cccnc2Cl)N1C1CCCCC1 1772733324 MLMHTSSOEXJORT-MRKXPFMVSA-N 432.376 6.325 30 10 IKEE C/C(=C1/SC(=Nc2cccnc2Cl)N(C2CCCCC2)C1=O)c1ccc(F)cc1 1772735292 SJPRJEBNVQIGIH-OQZKWKKUSA-N 429.948 6.201 30 10 IKEE CCCCOc1ccc(/C=C2\SC(=Nc3ccc(C)cc3O)N(CC)C2=O)cc1OC 1772762330 DINSNRXXLLEIKU-IBORXNHRSA-N 440.565 5.512 30 10 IKEE Cc1ccc(-c2csc3nc(-c4cccnc4)n(Cc4cccc(C#N)c4)c(=O)c23)cc1 1857803668 FLHKNNASLOYRKY-UHFFFAOYSA-N 434.524 5.415 30 10 IKEE Cc1ccc(-n2cc(/C=N\NC(=S)Nc3ccc(F)cc3)c(-c3ccc(F)cc3)n2)cc1 1857812164 WYZBNMRPTFJIRM-VYYCAZPPSA-N 447.514 5.446 30 10 IKEE CCN(C(=O)Oc1cccc2c(NC(=O)c3cccc(C#N)c3)cccc12)c1ccccc1 1858954216 HZBRDNQPVLRAIF-UHFFFAOYSA-N 435.483 5.989 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(C)cc2)cc1C 1862401070 SRXUZCOHWDAHPB-DEOSSOPVSA-N 427.500 5.091 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccccc2F)cc1C 1862402108 QPTJRKMQVLCHEJ-BXKMTCNYSA-N 445.490 5.482 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CCCCC2)c1 1862431300 DNJFKNIEIVQPGI-NRFANRHFSA-N 425.912 5.260 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C34CC5CC(CC(C5)C3)C4)[C@@H]2c2ccccc2)c1 1862487155 UMAAURPXEHTCSV-MMBGETBOSA-N 441.571 5.851 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccccc2C)c1 1862490357 UBFGPXNOMKROFY-VWLOTQADSA-N 443.518 5.572 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(Br)cc1 1862496254 GMBYMAKFVZYLFQ-FOIQADDNSA-N 442.353 5.443 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc(Br)cc2)cc1 1862540553 QFGFAWXMUBKEIK-HXUWFJFHSA-N 442.353 5.246 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(OCC)cc1 1862619531 XKBVWRWFRWYNTB-QHCPKHFHSA-N 435.564 5.761 30 10 IKEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862666535 GFYLCMUMDZQBQT-QHCPKHFHSA-N 435.564 5.332 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2cccc(OC)c2)c1 1862703690 XKHPEBQYYRBPFN-OSPHWJPCSA-N 443.499 5.043 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1cccc(Br)c1)c1ccc2ccccc2c1 1862722412 ZSPBVLHCOORJAI-NRFANRHFSA-N 448.316 5.343 30 10 IKEE CCCOc1ccc(C2=C(Nc3ccccc3C)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862976803 GVKKIZHDHCPCFR-UHFFFAOYSA-N 437.499 5.052 30 10 IKEE Cc1ccc(NC2=C(c3c[nH]c4ccccc34)C(=O)N(c3ccccc3C#N)C2=O)cc1C 1863136589 WOXHKBJFSTXGHZ-UHFFFAOYSA-N 432.483 5.053 30 10 IKEE Cc1ccc(CN2C(=O)C(Nc3ccccc3C#N)=C(c3cccc4ccccc34)C2=O)cc1 1863231070 SUCYQHGJTKVVIZ-UHFFFAOYSA-N 443.506 5.412 30 10 IKEE C=CCOc1ccccc1OCC(=O)Nc1scc(-c2ccccc2)c1C(=O)OCC 1865773180 NNMMNGQZFVFKRH-UHFFFAOYSA-N 437.517 5.174 30 10 IKEE CC(C)c1nc(Nc2cccc(C#N)c2)cc(N2CCN([C@H](C)c3cccs3)CC2)n1 1868221447 MFSUBBWKCUHRBP-GOSISDBHSA-N 432.597 5.160 30 10 IKEE CCCCCCCCC(=O)N1CC(Oc2ccc3c(=O)c(-c4ccccc4)coc3c2)C1 1869906931 USHUOINRVARXNT-UHFFFAOYSA-N 433.548 5.800 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)c2ccc3ccccc3c2)n(-c2cccc(Cl)c2)n1 1870002333 KNBOYFQBXMEDNK-UHFFFAOYSA-N 443.938 5.505 30 10 IKEE CCCCCCOc1cn(CCC)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870186233 CKVDWTZKQKJEJS-UHFFFAOYSA-N 427.614 5.702 30 10 IKEE C=CCn1cc(OCc2ccc(C)cc2)c(=O)cc1CSc1nc2ccccc2s1 1870216687 HZLFHPUZTSCSSW-UHFFFAOYSA-N 434.586 5.824 30 10 IKEE CCCCCCCOc1cn(CCCOCCCC)c(CSc2ccccc2)cc1=O 1870252448 UGGPKGDYVYIXNZ-UHFFFAOYSA-N 445.669 6.697 30 10 IKEE C=CCOc1cn(CCc2ccccc2)c(CNc2ccc(Br)cc2)cc1=O 1870810161 OTOIASJTGKEBHK-UHFFFAOYSA-N 439.353 5.030 30 10 IKEE C=CCn1cc(OCc2cccc3ccccc23)c(=O)cc1CNc1ccc(F)c(F)c1 1870918946 YLXLDFXXMNEWIL-UHFFFAOYSA-N 432.470 5.657 30 10 IKEE CCCCCCCCn1cc(OCCCCCC)c(=O)cc1CNc1cccc(C)c1C 1871125391 YJNAKRYAZUWTJV-UHFFFAOYSA-N 440.672 7.397 30 10 IKEE CCCCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CNc1cccc(F)c1 1871256181 XWMPCWSEQXZTDS-UHFFFAOYSA-N 444.635 7.165 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OC(=O)c4cccc(Br)c4)ccc3C2=O)c1 1871364265 NQBULBAHLLLUTC-NHDPSOOVSA-N 435.273 5.593 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(Cl)c(Cl)c4)ccc3C2=O)cc1 1871372571 YPQZOCRBVUNQEP-JJFYIABZSA-N 439.294 6.391 30 10 IKEE CCCOc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871388172 XZBBXJAYBMFYLA-UCQKPKSFSA-N 448.902 6.273 30 10 IKEE CCN(CCc1ccncc1)Cc1c(O)cc(C)c2c1O/C(=C\C=C\c1ccccc1)C2=O 1871394074 BKEAFBNUYWOGBY-BDUSHXLBSA-N 440.543 5.333 30 10 IKEE Cc1ccc(OCCCCOc2ccc3c(c2C)O/C(=C\c2ccccc2F)C3=O)cc1 1871404688 OCSKKWXYEAQDNJ-UQQQWYQISA-N 432.491 6.297 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCCOc4ccc(C)cc4)ccc3C2=O)c1OC 1871404717 CVPUWWZDWZPDED-IWIPYMOSSA-N 432.472 5.086 30 10 IKEE Cc1cccc(OCCCCOc2ccc3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)c1 1871404986 KCSIVYRQAOGAKZ-IMRQLAEWSA-N 443.543 5.915 30 10 IKEE C[C@H](Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O)C(=O)Nc1ccc(Cl)cc1 1871415341 XTFSVPWFAOCWSG-RQZLXBNYSA-N 425.893 5.424 30 10 IKEE Cc1cc(OCCOc2cccc3ccccc23)cc2c1C(=O)/C(=C/C=C/c1ccccc1)O2 1871415813 UTTGKCVIEAZKKJ-PTSDONCHSA-N 448.518 6.778 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 1871429014 DSCKIJIUCWQFIT-XUVWKZFSSA-N 440.511 6.031 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C)cc4Cl)ccc3C2=O)cc1 1871435823 DFCXXYBXOJXLOK-CFRMEGHHSA-N 447.918 5.845 30 10 IKEE COc1cccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2Cl)C3=O)c1 1871441479 DXWLVQJZLHKMTL-UUYOSTAYSA-N 449.890 5.291 30 10 IKEE CCCCCCCCN=c1nc(N2C[C@@H](C)C[C@@H](C)C2)[nH]c(=Nc2ccc(C)cc2C)[nH]1 1871602580 WFHOWBPUCBUNKR-OYRHEFFESA-N 438.664 5.331 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)CCCC 1871788777 RCQGOHKKAQKWDJ-SFHVURJKSA-N 435.417 5.109 30 10 IKEE N#C[C@H](C(=O)c1cccc(Oc2ccccc2)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872763691 RXLFFKYRKRINRC-OAQYLSRUSA-N 441.468 6.001 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccc(Cl)cc3)n2)cc1C 1872765405 ODZDYDWTHYUKCB-KBXCAEBGSA-N 426.925 5.424 30 10 IKEE COc1ccccc1-c1csc([C@@H](C#N)C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)n1 1872766073 BPDFUFCLBQSMBN-DOMZBBRYSA-N 447.343 5.769 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(Br)c3)n2)cc1Cl 1872785110 FWVFKKSNHNUXCC-AWEZNQCLSA-N 447.741 5.725 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)Cc2cccc3ccccc23)n1 1872785213 INBPYGZKYVUIHK-XMMPIXPASA-N 438.596 6.988 30 10 IKEE CC(C)c1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1cccc2[nH]ccc12 1873505164 CZLLSCCCKJNGAX-OPEKNORGSA-N 427.936 5.850 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)N(CCCC)CCCCCC)n2CC 1873545628 JRNXVEVSFFLNNC-UHFFFAOYSA-N 425.621 5.452 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)cc2c(NCc3cccc(C)c3)ncnc21 1873617420 OXOZLYSUFINXRD-UHFFFAOYSA-N 425.536 5.407 30 10 IKEE CCCCCCCCNC(=O)Cc1c(C)c2cc3c(C(C)(C)C)coc3cc2oc1=O 1873892225 WMBNFZQLUQJKPM-UHFFFAOYSA-N 425.569 6.164 30 10 IKEE CCCCCCCCCCNC(=O)C(C)(C)Oc1ccc([C@H]2CC2(Cl)Cl)cc1 1873936953 UHHVKHVFSVDEEK-HXUWFJFHSA-N 428.444 6.762 30 10 IKEE CCCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc(OCC)cc1 1874232837 SZVILFUMLABNEY-ZXVVBBHZSA-N 444.604 6.000 30 10 IKEE CCCCC1CCC(c2nnc(SC)n2/N=C/c2cccc(OC)c2OCC)CC1 1874286054 MVSMSIHKAUHPBW-LFVJCYFKSA-N 430.618 5.754 30 10 IKEE CCSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1c(OC)ccc2ccccc12 1874320173 DQNBUDGKIFZVGL-CVKSISIWSA-N 446.576 5.630 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccccc3Cl)n2/N=C/c2cccn2C)c1 1874365708 QKBZSJFLDFGGEJ-AFUMVMLFSA-N 435.984 5.728 30 10 IKEE CCCSc1nnc(-c2ccccc2Cl)n1/N=C/c1c(OC)ccc2ccccc12 1874367898 PCKMFGGGHDOTJC-MFKUBSTISA-N 436.968 6.145 30 10 IKEE CCc1ccc(/C=N/n2c(COc3ccccc3)nnc2SCc2ccccc2)cc1 1874384500 SFMDWVBADCYGGJ-YZSQISJMSA-N 428.561 5.594 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccc(F)cc2)n1/N=C/c1cccc(O)c1 1874394046 FMNINXIALQUOOP-AEIQVQRHSA-N 432.524 5.449 30 10 IKEE COc1cccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2-c2ccccc2)c1 1874430755 WJKKKNLLIKGVDI-MFKUBSTISA-N 434.952 5.782 30 10 IKEE COc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccccc2C)c1OC 1874436820 RWPWXFUNCROFRH-MFKUBSTISA-N 438.597 5.367 30 10 IKEE Cc1ccsc1/C=N/n1c(SCc2cccc3ccccc23)nnc1C1CCCC1 1874456121 BJARNPDIRVUPCE-MFKUBSTISA-N 432.618 6.633 30 10 IKEE Fc1cccc(CSc2nnc(C(F)(F)F)n2/N=C/c2cccc3ccccc23)c1 1874461056 UGEINOJEDSWWGJ-RPPGKUMJSA-N 430.430 5.764 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(C(F)(F)F)n2/N=C/c2cccc(Cl)c2)cc1 1874461131 XTJZNFLRYFTOTO-LSFURLLWSA-N 441.822 5.033 30 10 IKEE Oc1ccc(Cl)cc1/C=N/n1c(SCc2ccc(Cl)cc2)nnc1C(F)(F)F 1874462240 NXAYBTBFMGPUDO-LIMNOBDPSA-N 447.269 5.484 30 10 IKEE Fc1ccccc1CSc1nnc(-c2ccco2)n1/N=C/c1cccc2ccccc12 1874467162 UVWPYMPKCCZDCN-CVKSISIWSA-N 428.492 6.005 30 10 IKEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3c(C)cccc3C)nnc2C2CCC2)cc1 1874495245 BHHWTPNXVHVAMP-AFUMVMLFSA-N 433.581 5.084 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(COC)nnc2SCc2ccccc2Cl)cc1 1874502112 QJMSNPSQWPIOMR-ZVHZXABRSA-N 444.004 5.099 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C2CC2)c1 1874520917 ROLRHEYCMJISMJ-AUEPDCJTSA-N 433.364 5.651 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(OC)cc1 1874576123 XTLNGURFMKKYPC-XYOKQWHBSA-N 429.944 5.272 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2ccccc2)c(C)c1C 1874586326 IEQVKNPMVHNUQQ-FYWRMAATSA-N 445.515 5.234 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OCc1cccc(F)c1 1874633390 ZULKDWYBZUJVJX-ACCUITESSA-N 430.519 6.655 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)ccc1OCCc1ccccc1 1874635385 MTACCKPBWYLSNJ-DTQAZKPQSA-N 442.599 7.209 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1Cl 1874635937 AWRFZDLPVZHRIB-VMPITWQZSA-N 431.290 6.616 30 10 IKEE CCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(C)cc1 1874666933 TVXNCKLBQSLLLQ-SANMLTNESA-N 447.623 5.571 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc(C)cc3C)ccc2OC)cc1 1874701336 NFDPWIUCDBIYKZ-VGOFMYFVSA-N 430.500 5.826 30 10 IKEE CCCOc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3cc(C)ccc3C)c2)cc1 1874703583 WRXKUHOLIZSWAE-NTCAYCPXSA-N 428.528 6.136 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(CC)cc3)c2)c(OCC)c1 1874714830 PZDUNXSWHWYHFU-SFQUDFHCSA-N 444.527 6.162 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)CCc2ccccc2)c1 1874716171 FHWCKNUWFCKJCW-ACCUITESSA-N 434.919 6.091 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)[C@@H]1CCCO1 1875082715 ODTPSOBWRGBKTQ-OEVOLBHTSA-N 442.511 5.733 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)CCCSC 1875122392 LRIGKRWMHNJFLJ-DHZHZOJOSA-N 446.515 5.647 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)CSc3ccccc3)c(Cl)c2)ccc1F 1875141693 PYZOOZNXRYFUSX-YRNVUSSQSA-N 440.923 6.381 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)cc2Cl)cc1C 1875146406 SQXSQTVMZILIDI-XBXARRHUSA-N 448.902 5.843 30 10 IKEE Cc1ccccc1CCC(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1 1875146608 CQMNVIZBPGABJL-MDWZMJQESA-N 428.484 5.201 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2ccc(F)cc2F)cc1 1875169364 JIOYCAIOVHKTFX-IZZDOVSWSA-N 436.454 5.634 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(Cl)c(OC)cc2OC)cc(OC)c1OC(=O)CC 1875176061 UQQUWZRQPXGTLV-MDZDMXLPSA-N 444.911 5.306 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)[C@@H]2CCCO2)c([N+](=O)[O-])c1 1875184154 KWCZCZFFDAYPNA-HDFUYHJRSA-N 437.492 5.181 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3c(F)cccc3Cl)cc2)cc1C 1875187331 ZDYQJLDTQUFYDQ-FMIVXFBMSA-N 438.882 6.220 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N(CC)CC)n2CCOC 1875225296 ISFCPRDAAXPVDL-UHFFFAOYSA-N 431.625 5.112 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cc(F)ccc3C(F)(F)F)ccc21 1889606119 PUHOJXOFEHPDNI-UHFFFAOYSA-N 436.405 5.034 30 10 IKEE Cc1cc(Nc2ccc(NC(=O)c3ccc(C)c(C#N)c3)cc2)nc(NC2CCCCC2)n1 1891463355 QFKONXZFSWEMTE-UHFFFAOYSA-N 440.551 5.706 30 10 IKEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)cc3)C2)c1 1891487856 CBMZGEGOYIOVLJ-LJQANCHMSA-N 438.314 5.221 30 10 IKEE CCN(CC)c1cccc(OCC#CCNC(=O)c2cccc(C(F)(F)F)c2Cl)c1 1891678990 GKOFWOUGAPTBRH-UHFFFAOYSA-N 438.877 5.017 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1[C@H](C)C[C@H](C)CN1C(=O)OC(C)(C)C 1922080604 PMRFBXXAQADEEN-KZTDQWPFSA-N 430.633 5.409 30 10 IKEE C=CCC1(NCc2c(F)cccc2Br)CCN(C(=O)OC(C)(C)C)CC1 1924554263 RLSJMHIWRVJOJH-UHFFFAOYSA-N 427.358 5.024 30 10 IKEE C=C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C1CC1)[C@H](CCCC)C(=O)O 1927511900 BIMWRTIKVDWWSQ-SQHAQQRYSA-N 433.548 5.751 30 10 IKEE N#Cc1ccc(Cl)cc1NCCCONC(=O)OCC1c2ccccc2-c2ccccc21 1959289904 OPSHGADURHPXHH-UHFFFAOYSA-N 447.922 5.484 30 10 IKEE C=C1CCC(C[C@H](O)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)CC1 1997447457 JRUGEAQCHAPJCY-JYFHCDHNSA-N 429.601 5.328 30 10 IKEE CCCCCCC[C@@H](NC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997462501 UQSRFHFTPLQXBV-BVAGGSTKSA-N 432.649 5.779 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)[C@@H]2CC[C@@H]21 2008464210 JIPKNHZADXKOEZ-IEGUWTFLSA-N 447.601 5.167 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C1(C)C 2013407229 MQHVVUIMSQONJS-SBUREZEXSA-N 449.979 5.667 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2032000894 RIUFNTHTHBZSRY-OBWXTZQISA-N 447.551 5.495 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCC[C@@H]1CNC(=O)OC(C)(C)C 2032217807 SWAPUHJXBWIJKU-KBMIEXCESA-N 443.588 5.714 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)cc(Br)c1)NC 2047965564 QYIYYAYAWPSRGI-IAGOWNOFSA-N 431.802 5.093 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1C[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2048078345 REUHPQYLBOVDBA-CPJSRVTESA-N 443.588 5.890 30 10 IKEE CCCc1ccc([C@@H](n2nc(C(C)(C)C)c(C=NO)c2Br)C(C)(C)C)cc1 2079880864 IHWSSULKMRWUHM-LJQANCHMSA-N 434.422 6.339 30 10 IKEE O=C(O)c1c(C(F)(F)F)nn([C@@H](c2ccc(C(F)(F)F)cc2F)C2CCC2)c1Cl 2079970556 UHBYQVXDISGTJX-GFCCVEGCSA-N 444.734 5.801 30 10 IKEE CC(C)[C@@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)(F)F)c(C(N)=O)c1Cl 2079972329 TUTVJUHYDXZJQF-NSHDSACASA-N 431.739 5.058 30 10 IKEE Cc1cc(O)c([C@H](C(C)C)n2nc(C(F)(F)F)c(C=NO)c2Br)cc1C 2080030286 KTHWWFLBVBGTKG-AWEZNQCLSA-N 434.256 5.040 30 10 IKEE CC(C)Oc1ccc([C@H](n2nc(C3CCC3)c(C=NO)c2Br)C(C)(C)C)cc1 2080127237 SFSUSMXGGCBBON-FQEVSTJZSA-N 448.405 6.144 30 10 IKEE Fc1cc(-c2cc(Cl)n3nc(C(F)(F)F)c(Br)c3n2)c(F)c(F)c1F 2081311789 UIAWGGJYLAUURQ-UHFFFAOYSA-N 448.523 5.387 30 10 IKEE C=CCN(CC[C@@H](Cc1ccc(Br)cc1)NCCC)C(=O)OC(C)(C)C 2099287118 GPYRYUMLJJYYPW-IBGZPJMESA-N 425.411 5.173 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@]1(C#N)CN(Cc2ccccc2)C2(CCOCC2)C1 2100083198 JAYWSNHCSRHIKI-HHHXNRCGSA-N 447.579 5.146 30 10 IKEE COc1ccc(C)cc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2157900872 RTRWRWUSVPGXQE-GOSISDBHSA-N 431.330 5.773 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)Nc2ccc(C#N)cc2F)c1 2181052735 HPYFSFRYPOLYEP-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE C=CC[C@](C)(CNC(=O)OC(C)(C)C)COc1cc(Br)nc(C(C)(C)C)n1 2202053902 CXVSQPIHQWNCFQ-HXUWFJFHSA-N 442.398 5.023 30 10 IKEE C=CCC[C@H](NCCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229117929 GAKUNNZGGVVSDX-RBUKOAKNSA-N 425.411 5.219 30 10 IKEE C=C(CC)C[C@@H](NCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229129469 GUBMDZWFEDFBHJ-MOPGFXCFSA-N 425.411 5.219 30 10 IKEE C=C(CC)C[C@@H](NCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229129472 GUBMDZWFEDFBHJ-RTBURBONSA-N 425.411 5.219 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Cl)c(Cl)c(Cl)c1 2232513968 SLPWTFFLNKANHV-FUHWJXTLSA-N 433.807 5.994 30 10 IKEE C=CCCC1([C@H](C[C@@H](C)COCc2ccccc2)NCC)CN(C(=O)OC(C)(C)C)C1 2247410377 CYMJYWKEECUJKH-GGAORHGYSA-N 430.633 5.411 30 10 IKEE CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2255922127 NTVUBPQSRSRCDB-CJFMBICVSA-N 449.636 5.732 30 10 IKEE C=C(C[C@@H](OCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)OC 2275760504 MGEWYDKTYAOVFW-RUZDIDTESA-N 448.515 5.537 30 10 IKEE CCCCN(CCCC)Cc1c(O)ccc2c1OC(=Cc1c(Cl)cccc1Cl)C2=O 2296604986 RWQVKVXQJZLEOR-UHFFFAOYSA-N 448.390 6.717 30 10 IKEE C=CC[C@@H](Oc1cc(Cl)c(Br)cc1N)[C@H]1CCN1C(=O)OC(C)(C)C 2314301465 SEVIDEOUQWJQJE-HUUCEWRRSA-N 431.758 5.018 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(OCc2ccccc2)cc1 2314469568 BUDKIZJHFSTLIH-JWQCQUIFSA-N 436.596 5.613 30 10 IKEE N#Cc1c(F)cccc1Sc1cc(I)ccc1Br 2316381151 AEYRDFRZFVBMBY-UHFFFAOYSA-N 434.071 5.216 30 10 IKEE N#Cc1nc([C@H]2C[C@H]2c2ccccc2)oc1NN=Cc1ccc(OCc2ccccc2)cc1 2320837101 KEOARFBJLHBNLJ-ZEQRLZLVSA-N 434.499 5.842 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(C(C)(C)C)cc1)C3=O)CN(Cc1ccco1)CO2 2322307923 WGRFYXMAPCZXOO-UHFFFAOYSA-N 429.516 5.854 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)NC2CCCCC2)cc1 2322557934 XKZVZEBJTMYSAD-UHFFFAOYSA-N 441.955 5.463 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(ccc(OC(=O)c4ccccc4C)c3C)C2=O)cc1 2322684321 ZUKNEYUQXLHIQC-UHFFFAOYSA-N 441.527 5.985 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2ccccc2)c(C)c1C 2322825250 MFUPZAKPYORPFU-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CN(C)c1ccc(C=C2Oc3cc(OC(=O)c4cc5ccccc5o4)ccc3C2=O)cc1 2322839825 OSDKRUDFXDPZFB-UHFFFAOYSA-N 425.440 5.334 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccccc1OCC(=O)NC1CCCCC1 2322922737 MAXXNSWMDCIHPH-UHFFFAOYSA-N 441.955 5.381 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1OCc1c(Cl)cccc1Cl 2323106017 GWRJGSTWZJXZHI-UHFFFAOYSA-N 449.280 6.755 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2cccc(OCc3ccccc3F)c2)cc1 2323226333 YFJQIPUCAOUSGF-UHFFFAOYSA-N 446.562 7.650 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3ccc(C)cc3)c2)c(C)c1C 2323248342 FMDYVBQDZQQZMF-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE Cc1c(OC(=O)Cc2ccc(Cl)c(Cl)c2)ccc2c1OC(=Cc1cccnc1)C2=O 2323419635 FPMAEPJSPLUBSQ-UHFFFAOYSA-N 440.282 5.461 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OCc1cccc(Cl)c1 2323791975 PEKMBSGBMCOZPF-UHFFFAOYSA-N 427.327 6.867 30 10 IKEE CCCOC(=O)COc1c(Cl)cc(C=CC(=O)c2ccc(OCC)cc2)cc1OCC 2323839127 LDHVBSJRVQJWRW-UHFFFAOYSA-N 446.927 5.366 30 10 IKEE CCOc1cc(C=NNc2nc(-c3ccc(F)cc3)cs2)cc(Cl)c1OCC(C)C 2323840314 LXGJCNUOHJYLRO-UHFFFAOYSA-N 447.963 6.482 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OCC(=O)NC1CCCCC1 2324356579 WMENRKKHFGXLKE-UHFFFAOYSA-N 449.591 5.653 30 10 IKEE COC(=O)COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1Br 2324653914 UYZKYFVDMDJIOO-UHFFFAOYSA-N 444.108 5.204 30 10 IKEE CN(C)c1ccc(C=C2Oc3cc(OCCOc4ccc(Cl)cc4)ccc3C2=O)cc1 2324665913 XDJHJKPHZXLCDH-UHFFFAOYSA-N 435.907 5.480 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc(OCCOc3ccc(Cl)cc3)c2C)C1=O 2324672811 QIAGKTDMLMVSBC-UHFFFAOYSA-N 436.891 5.731 30 10 IKEE COc1ccc(OCCCOc2ccc3c(c2C)OC(=Cc2ccccc2F)C3=O)cc1 2324705743 HIZUKLFGCDLFRZ-UHFFFAOYSA-N 434.463 5.607 30 10 IKEE Cc1c(OCC(=O)Nc2cccc(C(F)(F)F)c2)ccc2c1OC(=Cc1ccco1)C2=O 2324901949 SOLRFFWGPOFOQT-UHFFFAOYSA-N 443.377 5.241 30 10 IKEE Cc1cc(OCC(=O)N[C@@H](C)c2ccccc2)cc2c1C(=O)C(=CC=Cc1ccccc1)O2 2325020247 OHJDFBXEJLAISV-FQEVSTJZSA-N 439.511 5.424 30 10 IKEE CC(C)c1ccc(C=C2Oc3cc(OCc4nc(O)c5ccccc5n4)ccc3C2=O)cc1 2325200928 UCWARASXLVGRBK-UHFFFAOYSA-N 438.483 5.654 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc(OCc3ccc(C(=O)OC(C)C)o3)c2C)C1=O 2325387833 HCOQEARYLWAPNW-UHFFFAOYSA-N 448.471 5.357 30 10 IKEE Oc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2cccc(F)c2)cc1 2325441922 CIIMEDBDVYSZGC-UHFFFAOYSA-N 432.524 5.083 30 10 IKEE COc1cccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2F)c1 2325489204 WLNQWECYIWFNPM-UHFFFAOYSA-N 432.524 5.191 30 10 IKEE CCCCCCCCC(=O)Oc1cccc(C=CC(=O)c2cccc(Br)c2)c1 2325721082 HOMNKRPTQFBEMM-UHFFFAOYSA-N 443.381 7.001 30 10 IKEE COc1ccccc1C(=O)C=Cc1cccc(OC(=O)c2cccc(Br)c2)c1 2325724136 IQBHVTHUXTXJHD-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE CCc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(Cl)c(Cl)c3)c2)cc1 2325737427 ULECAGZJGSCTIG-UHFFFAOYSA-N 425.311 6.671 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2cc(C)ccc2OC)cc1OC(=O)C(C)C 2325743119 LYASRWPVTOFXIF-UHFFFAOYSA-N 447.325 5.232 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2cccc(OC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)c2)cc1 2325750796 LRYMQEKKUUJFLJ-LOSJGSFVSA-N 444.958 7.069 30 10 IKEE CCCCCCC(=O)Oc1cccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)c1 2325754979 IEDKUZDYCVGDIS-UHFFFAOYSA-N 428.528 7.251 30 10 IKEE COc1cccc(CCC(=O)Oc2cccc(C=CC(=O)c3cc(C)cc(C)c3OC)c2)c1 2325757776 WTDFSLLSAKUPBK-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1cccc(O)c1 2326074087 OXGPVUUXDLZKIL-UHFFFAOYSA-N 442.972 5.199 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCCC)n1N=Cc1c[nH]c2ccccc12 2326474198 XDMKSPXLJRDCDW-UHFFFAOYSA-N 447.564 5.288 30 10 IKEE CCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccc(O)c(Br)c1 2326590737 XULNUNFWJGZHBE-UHFFFAOYSA-N 445.386 5.100 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1cccc(OCC)c1 2327202820 XHZQBAUUBSYOFZ-UHFFFAOYSA-N 436.581 5.157 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC(=O)CC(C)(C)C 2330645470 DAOSSCRQQWOAIE-UHFFFAOYSA-N 437.492 5.570 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccccc3)n2N=Cc2ccc(N(C)C)cc2)c1 2330647016 UQTPQAYELAPSNR-UHFFFAOYSA-N 427.577 5.494 30 10 IKEE Fc1cccc(CSc2nnc(-c3ccccc3)n2N=Cc2c(F)cccc2Cl)c1 2330651615 ZSNNISVHCZAVGV-UHFFFAOYSA-N 440.906 6.051 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2Cl)cc(OC)c1OC(=O)[C@@H]1CCCO1 2330949337 YQDJKDHGGTYPSJ-NRFANRHFSA-N 426.896 5.058 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)cc2)cc1 2330952970 RVVBAZSLKDMNCB-PKTZIBPZSA-N 432.903 5.954 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)ccc1OC(=O)Cc1ccc(C)cc1 2330976712 BZKZLHVUEOGNCL-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)ccc1OC(=O)CCOc1ccccc1 2330979624 LOKYDYRRTQVYGP-UHFFFAOYSA-N 446.499 5.365 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Cl)c(OC(=O)c2cccc(C)c2)c(OC)c1 2331049778 TYPYNKPJRZQSPV-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE Fc1ccc(CSc2nnc(C(F)(F)F)n2N=Cc2cccc3ccccc23)cc1 2331115950 SLEZIYVXGRRDMJ-UHFFFAOYSA-N 430.430 5.764 30 10 IKEE FC(F)(F)c1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccccn1 2331146284 RPMJEAMWYDVFGN-UHFFFAOYSA-N 432.258 5.173 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(C(F)(F)F)cc2)c(Cl)c1)c1ccccc1 2331166038 HWDCDUWHVHZEIL-UHFFFAOYSA-N 430.809 6.474 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc(Cl)c1OC(=O)CC 2331245919 JCYJSXWMLYVFAK-UHFFFAOYSA-N 427.711 6.257 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)[C@H]1CCCO1 2331246648 IYQWJOXKKICFBT-HXUWFJFHSA-N 435.303 5.373 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1cccc2ccccc12 2331349495 XZGMNLBNQRQPKC-UHFFFAOYSA-N 440.470 6.411 30 10 IKEE C=C(C)CSc1nnc(C(C)(C)C)n1N=Cc1ccc(OCCCCC)c(OCC)c1 2331394039 WJHOYUYHHWJWCK-UHFFFAOYSA-N 444.645 6.094 30 10 IKEE CC(C)(C)c1nnc(SCCc2ccccc2)n1N=Cc1c(Cl)cccc1Cl 2331398824 OZZFCIYDVQFLIK-UHFFFAOYSA-N 433.408 6.099 30 10 IKEE CCc1ccc(C=Nn2c(SCC(=O)Nc3ccc(C)cc3C)nnc2C(C)(C)C)cc1 2331416978 QCECRQZVYLYONY-UHFFFAOYSA-N 449.624 5.368 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccc(Cl)cc3)cc2)cc1 2331491742 JCKIXMWCBVBFFX-UHFFFAOYSA-N 434.919 6.344 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)c1cccc(C)c1 2331703611 BRIMAHMWAXNVLE-UHFFFAOYSA-N 434.919 6.389 30 10 IKEE CCCOc1c(C=Nn2c(SCc3cccc(F)c3)nnc2C2CC2)cccc1OC 2331734346 QYDXERMGOVYDSR-UHFFFAOYSA-N 440.544 5.267 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cc(OC)c(OC(=O)c3ccco3)c(OC)c2)cc1C 2331836479 MYYJTGYEJFFVNZ-UHFFFAOYSA-N 436.460 5.038 30 10 IKEE CC1(CNc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN(Cc2ccccc2)CC1 2365103991 DWUXGMBVRQXLAZ-UHFFFAOYSA-N 447.432 5.440 30 10 IKEE CC1(C)OB(C=Cc2ccc(Nc3cc(Cl)cc(Br)c3)nc2)OC1(C)C 2365119398 QPNDFQPDIFMFKE-UHFFFAOYSA-N 435.558 5.886 30 10 IKEE C=CCCN(Cc1ccccc1)[C@](C)(C(=O)O)c1cc2cc(Br)ccc2o1 2374073538 GJZRAXGHCDZUFN-QFIPXVFZSA-N 428.326 5.573 30 10 IKEE CC1=C/C(=N\N=C2\N=C(O)[C@H](CC(=O)Nc3c(C)cc(C)cc3C)S2)CC(C)(C)C1 4576724 RATBAAOBPJZNHA-WYZSWBMLSA-N 426.586 5.491 30 10 IKEE Cc1nc2ccccc2n1/C(=N/S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 6456660 IFRPFAJXPZKGHS-NJNXFGOHSA-N 444.343 5.335 30 10 IKEE Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C(C)(C)C)cc2)C3)o1 21222470 PTAGWKPJONMWIU-WINIVTDRSA-N 426.560 6.865 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc3ccccc23)cc1 21257375 JNVYXHLKDPNUOF-RDPSFJRHSA-N 425.528 5.633 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(Cl)cc2)c1 33698023 GAOHEFYSPAFORN-JOCHJYFZSA-N 432.907 5.130 30 10 IKEE C=CCn1c(C)c(/C=C2\S/C(=N/c3cccc(C(=O)O)c3)N(C)C2=O)c2ccccc21 35657254 BMWHVRKWIZEKIN-YCBMQGOFSA-N 431.517 5.068 30 10 IKEE O=C(Nc1cccc(Cl)c1)c1cccc(/N=C/c2ccc(OCc3ccccc3)cc2)c1 59514000 FKGWFAVSELHDGC-RDRPBHBLSA-N 440.930 6.922 30 10 IKEE C=CCN1C(=O)c2ccccc2N[C@H]1c1ccc(OCCCc2ccccc2)c(OC)c1 66132647 PVVNDOKNLITKNJ-AREMUKBSSA-N 428.532 5.459 30 10 IKEE CCNc1ccc(Br)cc(C(=O)/C=C\c2cccc(Cl)c2Cl)c1=O 97474807 VIYIJBDAHBFZCU-TWGQIWQCSA-N 427.125 5.444 30 10 IKEE CCCCCCCCCCCCCCCCC[C@H](C)OC(=O)c1ccc(C(N)=O)cc1 100333884 SYSPPNMMPCRQLZ-QHCPKHFHSA-N 431.661 7.592 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)S/C1=N/c1nccs1 101128377 WSQSEIHQJQIZQB-RZPAUPBHSA-N 427.938 5.847 30 10 IKEE COc1ccc(/C=C2\S/C(=N/c3nc(-c4ccccc4)cs3)N(C)C2=O)c(OC)c1 101129947 NEKHHGIUODGCTO-YVQDBNNVSA-N 437.546 5.061 30 10 IKEE COc1ccc(S(=O)(=O)/N=C2/C=C(Sc3ccc(C)cc3)C(=O)c3ccccc32)cc1 103746847 QYZCSPNUINRXON-LVWGJNHUSA-N 449.553 5.054 30 10 IKEE COc1ccc(/C=N\n2c(C)nnc2SCc2ccc(Cl)cc2Cl)cc1OC 138203145 OQEMNVUWGGZZTE-YVNNLAQVSA-N 437.352 5.085 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2cc(C)ccc2C)=C(O)C(=O)N1Cc1cccs1 169939569 QHACWEDKEZAQQU-JOCHJYFZSA-N 433.529 5.152 30 10 IKEE CCCOc1c(OC)cc(/C=N\Nc2nc(-c3ccc(C)cc3)cs2)cc1[N+](=O)[O-] 169943266 RJJWVCHXOMHBJD-UUYOSTAYSA-N 426.498 5.270 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2cccs2)cc1 169984206 LUMWITNOEVTVPL-NRFANRHFSA-N 437.948 6.055 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2cccnc2)cc1 170002414 ZDBGPSHLTWQGGI-DEOSSOPVSA-N 437.499 5.469 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2cccnc2)cc1C 170006380 IJYIONKGDQIHCL-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(O)cc1 170133434 AKDLNMHLBFJTGE-HSZRJFAPSA-N 425.440 5.230 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccc(C)c2)c(OC)c1 170140885 CXGWWPLOBNRYNF-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)(C)C)c2)[C@@H]1c1cccs1 170165132 HWQWTCYEQKPVHJ-FQEVSTJZSA-N 427.566 5.433 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCCC)[C@H]2c2ccccn2)cc1 170181152 SCUXFTABCSAUNO-QHCPKHFHSA-N 436.552 5.419 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2ccc(OCCC)cc2)cc1 170215722 AAADXMJYTKRMGP-QHCPKHFHSA-N 437.536 5.253 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc(OCC(C)C)c1 170219099 MFKOVZYDJKRWSB-RUZDIDTESA-N 443.543 5.863 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccccc1 170222679 XGBLVVGGOJEFKL-JOCHJYFZSA-N 431.463 5.234 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccccc2)cc1C 170225338 CLMPJBMGGRALIC-VWLOTQADSA-N 441.527 5.712 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccccc2)c(OC)c1 170226803 IGQDXGZOTAXVRT-QFIPXVFZSA-N 449.890 5.140 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(Cl)cc2)c(OC)c1 170235153 BZDRIVNRWNNQTH-QFIPXVFZSA-N 449.890 5.140 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2C)c1 170275322 WOMXNDBTXPNTGM-DEOSSOPVSA-N 433.548 5.695 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@H]1c1ccccc1C 170277258 FQQWJUJTMKYWQL-RUZDIDTESA-N 449.591 6.286 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccco2)c1 170278834 VKOKCAZRWDVYFD-QHCPKHFHSA-N 425.440 5.224 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccc(C)o2)c1 170304585 OXEOOZSITYDCKL-XMMPIXPASA-N 439.467 5.538 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cn(C)c3ccccc23)c1 170394309 VGRIVAOGQVJQIR-HSZRJFAPSA-N 442.540 5.640 30 10 IKEE C=CCn1c(S[C@H](C)C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)nnc1-c1ccc(Cl)cc1 251558434 MCUVABNDLBQYEC-XYKCEAJKSA-N 445.032 5.206 30 10 IKEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C 253477113 DACSMWMJWQDUON-UHFFFAOYSA-N 440.878 5.138 30 10 IKEE CC[C@H](CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 256078661 ICFXJOAKQGDRCT-LRBGOAEWSA-N 428.701 7.204 30 10 IKEE endogenous,in-man CCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(F)cc2)c1 526486445 KWZIMGPHJXPZAL-XMMPIXPASA-N 428.463 5.543 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2ccc(Cl)c(Cl)c2)c1 526515602 KFGHZCYYRPZOOB-LJQANCHMSA-N 427.312 5.984 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccc(OC(C)C)c2)c1 526516508 OFDFRALCTDQLES-RUZDIDTESA-N 440.499 5.411 30 10 IKEE CCOc1ccc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2ccccc2C#N)cc1OC 526607464 WJOUGOSTIJRJPA-QFIPXVFZSA-N 432.501 5.084 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2O)c1 526759992 SIGOSEZRHDUBFC-HSZRJFAPSA-N 447.462 5.103 30 10 IKEE CCOc1cccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccccc2)c1 526799826 KAMBVLDKBAJTCY-DIBXZPPDSA-N 442.588 5.637 30 10 IKEE CCCOc1ccc(/C=N\n2cnnc2SCc2ccc(F)cc2)cc1Br 526801400 ONKRTDSFICMWLD-KSEXSDGBSA-N 449.349 5.143 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1c(OC)ccc2ccccc12 526804047 CYCBGZPOWGQEKQ-QQXSKIMKSA-N 430.577 5.875 30 10 IKEE Clc1ccc(/C=N\n2cnnc2SCc2c(Cl)cccc2Cl)cc1Cl 526814782 RLGCNODNMZVKTO-HOEBFWFUSA-N 432.163 6.066 30 10 IKEE CCCOc1ccc(/C=N\n2cnnc2SCc2cccc3ccccc23)cc1OCC 526820054 JHNJANHLFWWOSK-YUMHPJSZSA-N 446.576 5.793 30 10 IKEE COc1c(Cl)cc(/C=N\n2c(C)nnc2SCc2cccc(F)c2)cc1Cl 526825333 SOMOCUDLGZRZPP-AFPJDJCSSA-N 425.316 5.216 30 10 IKEE COc1ccc(F)cc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 698460027 XOJAEONPUOLXBE-QGZVFWFLSA-N 435.293 5.603 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 698484088 MZRFCPUQZGVOLU-UJAPCULTSA-N 441.572 5.274 30 10 IKEE C[C@@H]1N(Cc2ccccc2)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 698945424 NHJHOERWIIWMMT-MHECFPHRSA-N 425.960 5.638 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@@H](C#N)c1cc(F)ccc1Br 698956810 KQECXEZOGYKAAE-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCC[C@H](NC(=O)OC(C)(C)C)C2)cc1 724025259 DZYVKMYNHXIZNB-XDHUDOTRSA-N 445.560 5.166 30 10 IKEE O=C(Nc1ccc(F)cc1)[C@@H]1CC(=O)N(CCc2ccccc2)C(=Nc2ccccc2)S1 725441726 OWLXXMRZHQPMDM-QFIPXVFZSA-N 447.535 5.029 30 10 IKEE O=C1/C(=C\c2ccc(N3CCCC3)o2)S/C(=N\C2CCCCC2)N1C1CCCCC1 1083960283 CKWUEBOPSPRAHB-SBABGQHYSA-N 427.614 5.818 30 10 IKEE Oc1c(Br)cc(Br)cc1C=NN(c1ccccc1)c1ccccc1 1084534257 WLYXRLXVXLAVRM-UHFFFAOYSA-N 446.142 6.089 30 10 IKEE Cc1c(N=Nc2cccc(Cl)c2Cl)c(O)n([C@H](C)c2ccccc2)c(=O)c1C#N 1772740787 HYDQMMVYPKLCCA-CYBMUJFWSA-N 427.291 6.066 30 10 IKEE Cc1c(C(=O)Nc2ccc(F)cc2)oc2c1C(=NNc1cccc(C(F)(F)F)c1)CCC2 1772751103 VJSMIUISQRWMJJ-UHFFFAOYSA-N 445.416 6.151 30 10 IKEE CCCCCCCCn1cc(OCCCCOc2ccccc2C)c(=O)cc1C(=O)O 1857890879 HRORVOJPEJSNLT-UHFFFAOYSA-N 429.557 5.453 30 10 IKEE N#Cc1cccc(NC(=O)Nc2ncccc2OCC(=O)c2ccc(-c3ccccc3)cc2)c1 1858860642 RZGQYQCIKKHBJQ-UHFFFAOYSA-N 448.482 5.526 30 10 IKEE N#Cc1c(NC(=O)c2ccnc(NC(=O)C3CC3)c2)oc(-c2ccccc2)c1-c1ccccc1 1859650054 DOOKQSZSHCPEKU-UHFFFAOYSA-N 448.482 5.481 30 10 IKEE COc1ccc(-c2nc3ccc(C(=O)Nc4sc5c(c4C#N)CCC5)cc3o2)cc1OC 1859749310 QXOIZTMJNRYFRA-UHFFFAOYSA-N 445.500 5.186 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc2nc(CCC)[nH]c2c1 1861456347 VGGWIKYZCWTXOL-QHCPKHFHSA-N 440.632 5.377 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC1CCCCC1 1861460234 YARHGBUGIXFMSA-VWLOTQADSA-N 444.660 5.647 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)c1cc(Cl)ccc1Cl 1861760271 KFLMOGNWYZHLBI-HXUWFJFHSA-N 429.432 6.149 30 10 IKEE CCCCCCCCNC(=O)[C@H](NC(=O)c1ccc(-n2cccc2)cc1)c1ccccc1 1861773389 FZHGBLUOFGTILV-RUZDIDTESA-N 431.580 5.425 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)cc1 1862445316 SJSSCZCZNDJKEN-GJULWVSJSA-N 439.939 5.506 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 1862448667 SEMCGFHTSBGKRB-HXUWFJFHSA-N 440.883 5.159 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2C(C)C)cc1 1862463792 XDCDUCLNKSWUQN-NRFANRHFSA-N 447.453 5.270 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccc(Cl)c2)c1 1862476627 MMSMKOLDLRMUPL-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCCc3ccccc3)[C@@H]2c2ccccc2)c1 1862486380 AMPOPOTWSLRLGE-AREMUKBSSA-N 439.555 5.905 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2cccc(O)c2)c1 1862490176 PEHVVQIRRJSTQF-DEOSSOPVSA-N 427.500 5.096 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccc(F)cc2)ccc1F 1862502366 YANYALLQNOPNBY-HJPURHCSSA-N 433.454 5.613 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(Br)cc1 1862511625 MSMBFIZVGIUXDP-LJQANCHMSA-N 446.316 5.275 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1c(Cl)cccc1Cl 1862553124 HTVCSDAVSHDPFY-NRFANRHFSA-N 444.358 5.861 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccccc2)cc1OC 1862575654 BNMDFEKMRZWMNE-OSPHWJPCSA-N 443.499 5.043 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(O)c2)=C(O)C(=O)N1Cc1ccc(Cl)cc1 1862589733 RWCXRFXNQGRFEV-QFIPXVFZSA-N 433.891 5.133 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2cccc(Cl)c2)cc1 1862589978 XYXRCPFPANVITR-JOCHJYFZSA-N 433.891 5.133 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccc2)cc1 1862660872 QYYZCFCUXHFNPH-DEOSSOPVSA-N 429.491 5.728 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc3ccccc23)cc1 1862666477 FBHAOXORVHARFN-SANMLTNESA-N 439.555 6.484 30 10 IKEE CCOc1cc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2[C@H](C)CC)ccc1O 1862668539 BIJSJKWRUYYIBI-MWTRTKDXSA-N 437.536 5.291 30 10 IKEE CN(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862677987 IUYRMCNOKAUREA-QHCPKHFHSA-N 436.527 5.193 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862680681 HYKJLPAICHASMW-LJQANCHMSA-N 446.862 5.156 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2cccc(F)c2)c1 1862702300 AVLVTMGXFSCQEE-DEOSSOPVSA-N 445.490 5.045 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C(C)C)cc1OC 1862722196 XDZRMNJQDITQJE-DEOSSOPVSA-N 445.515 5.234 30 10 IKEE N#Cc1cccc(N2C(=O)C(Nc3ccccc3Cl)=C(c3ccc(Cl)cc3)C2=O)c1 1862798396 JESFPTGIJWRKGH-UHFFFAOYSA-N 434.282 5.262 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(Cl)cc2)C1=O 1863173365 PGZZMRMBYBEVMS-UHFFFAOYSA-N 435.955 5.764 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(N(C)C)cc2)=C(c2ccc(OC)cc2)C1=O 1863327982 YIJXJNQQKYVOOO-UHFFFAOYSA-N 449.595 5.314 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(OC)cc2)C(=O)N(Cc2ccccc2)C1=O 1863666487 KUAZVFGHQDOYRO-UHFFFAOYSA-N 448.607 5.706 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccc(F)cc2)=C(c2ccccc2Cl)C1=O 1863778136 ACSJCXCUTJJUHJ-UHFFFAOYSA-N 442.962 5.709 30 10 IKEE N#Cc1ccc(NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)O)c([N+](=O)[O-])c1 1865860606 KDSIKOJPUPAHML-UHFFFAOYSA-N 449.033 5.031 30 10 IKEE COc1ccc(/C=C(/C(=O)Nc2sc3c(c2C#N)CCC3)c2ccccc2)cc1OC 1865912686 AZRQLFBQTFOSHR-CPNJWEJPSA-N 430.529 5.305 30 10 IKEE C[C@H]1CN(c2cc(Nc3ccccc3C#N)nc(C(C)(C)C)n2)C[C@@H](C)N1c1ccccc1 1868350688 NNEIUNADOJWYDV-BGYRXZFFSA-N 440.595 5.493 30 10 IKEE COc1cc2c(cc1OC)N(c1cc(Nc3ccc(C#N)cc3)nc(-c3ccccc3)n1)CC2 1868376380 LDBYMNUPMVQOAS-UHFFFAOYSA-N 449.514 5.470 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC[C@@H]2Cc2ccc(Cl)cc2)nc(-c2ccccc2)n1 1869198539 TUXUCJTZBXLUBL-XMMPIXPASA-N 445.010 6.187 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)c2cc3ccccc3o2)n(-c2ccc(Cl)cc2)n1 1870002239 GUUWRYMRYJLGCF-UHFFFAOYSA-N 433.899 5.098 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccccc2Cl)cn1Cc1ccccc1C 1870340839 ZCRLPCZCZLUEPS-UHFFFAOYSA-N 448.994 5.611 30 10 IKEE CCCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1C[C@@H](C)C[C@@H](C)C1 1870350817 XTKQVQWXGZDCJY-SZPZYZBQSA-N 435.612 5.357 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCCCCCC)cn1Cc1ccc(F)cc1 1870411101 TVTFPHFKJBENOF-UHFFFAOYSA-N 426.576 5.559 30 10 IKEE CCCCCCCCCCn1cc(OCCO)c(=O)cc1CNc1ccc(C)c(Cl)c1 1870791377 RUZXPYXSNPYHJG-UHFFFAOYSA-N 449.035 5.934 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OC)c(=O)cc1CNc1cc(Cl)ccc1C 1870872758 VYACLONJJWSVDE-UHFFFAOYSA-N 448.991 5.335 30 10 IKEE C=CCn1cc(OCc2cccc3ccccc23)c(=O)cc1CNc1ccc(F)c(Cl)c1 1870918331 DLDRCLUVWOMEBR-UHFFFAOYSA-N 448.925 6.171 30 10 IKEE CCCCCCCCn1cc(OC)c(=O)cc1CNc1ccc(OCc2ccccc2)cc1 1870997527 QOTYQKPLMCQREI-UHFFFAOYSA-N 448.607 6.409 30 10 IKEE CCCCCCCCCCn1cc(OC)c(=O)cc1CNc1ccc(CCCC)cc1 1870998419 XYMRUMKPTHXEDC-UHFFFAOYSA-N 426.645 6.952 30 10 IKEE C=CCn1cc(OCc2cccc(F)c2)c(=O)cc1CNc1ccc(OC(F)(F)F)cc1 1871062763 PFDJEDPGGMOIMZ-UHFFFAOYSA-N 448.416 5.263 30 10 IKEE CCCCOc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CC)cc1 1871252050 IUVRULCWTVNKHQ-UHFFFAOYSA-N 431.536 5.110 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(N(C)C)cc1)O3)CN(CCc1ccccc1)CO2 1871344400 HKXSPSFZGJETKC-XYGWBWBKSA-N 440.543 5.072 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccccn1)C2=O)/C(Br)=C/c1ccccc1 1871378386 KRNCJKBZXPIQKG-FEQHTUGKSA-N 448.272 5.039 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O 1871383541 QPOQADMKXTZRTH-ODLFYWEKSA-N 441.266 5.837 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc(OCCOc3ccc(C)cc3)c2C)C1=O 1871404783 GDJFLQRWMHYACA-UQQQWYQISA-N 430.500 5.776 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871412153 VARQXFQLSJFEJS-DNPFKWNUSA-N 431.463 5.410 30 10 IKEE CC(C)(C)c1ccc(OCCOc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871415055 SYZQYNGSSVKLNH-XYGWBWBKSA-N 432.491 6.197 30 10 IKEE COc1ccc(OCCOc2ccc3c(c2)O/C(=C\c2c(F)cccc2Cl)C3=O)cc1 1871415067 UCRPUTSUTLPWSG-UCQKPKSFSA-N 440.854 5.562 30 10 IKEE Cc1ccc2oc(=O)cc(COc3ccc4c(c3)O/C(=C\c3ccc(Cl)cc3)C4=O)c2c1 1871460441 MMBXEFXAPFQCSW-MYKKPKGFSA-N 444.870 5.950 30 10 IKEE C=CCN([C@H](C)C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)S(=O)(=O)c1ccc(F)cc1 1872322180 OZDJMGPFTKNZBL-GOSISDBHSA-N 446.588 5.276 30 10 IKEE CC(C)c1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 1872775797 AJQKKLUXKSGFRE-KRWDZBQOSA-N 425.897 5.985 30 10 IKEE COC(=O)c1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc1 1872786501 LZDWJIFQLTVJSV-OSICKASQSA-N 430.529 5.412 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc(COc2cc(C)c(Cl)c(C)c2)cc1 1872860249 GDGSVJNFECLTBD-UHFFFAOYSA-N 430.032 7.406 30 10 IKEE CCCCCCCCNC1=C(c2ccc(C)c(C)c2)C(=O)N(CCC2=CCCCC2)C1=O 1873141081 JOOBBZLOFXRETK-UHFFFAOYSA-N 436.640 6.224 30 10 IKEE C=CCN1C(=O)C(N[C@H](CC)CCCCC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166823 IQELXDAIYSKNLY-JOCHJYFZSA-N 433.596 5.309 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(OC)c(Cl)c1)n2C 1873620083 TYIMGKPGYWCURW-UHFFFAOYSA-N 443.979 5.655 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(COc2c(C)ccc(C)c2C)nnc1SC 1874253464 ARQCUHDINGCUDX-VULFUBBASA-N 446.576 5.548 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1cc(C)ccc1O 1874283026 LYWMNJBXYAMPOA-ZMOGYAJESA-N 426.973 5.281 30 10 IKEE CCCCC1CCC(c2nnc(SCc3cccc(C)c3)n2/N=C/c2ccco2)CC1 1874285777 YBGOADNCTCFTIC-YZSQISJMSA-N 436.625 6.818 30 10 IKEE O=[N+]([O-])c1ccccc1Cc1nnc(SCc2ccccc2F)n1/N=C/c1ccccc1 1874297291 TYZNYULTORQPQK-MFKUBSTISA-N 447.495 5.091 30 10 IKEE CCSc1nnc(COc2cccc(C)c2C)n1/N=C/c1cccc(Br)c1 1874324049 VKRBWLHSIROBHW-WSDLNYQXSA-N 445.386 5.231 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1cc(OC)ccc1OC 1874365600 LFEMMFOCBJSGIC-FSJBWODESA-N 428.945 5.166 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc(F)cc1F 1874438806 UUHRYCRKDAWEGX-BRJLIKDPSA-N 434.943 5.973 30 10 IKEE Cc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccc(Cl)c(Cl)c2)c1 1874440639 MDMYOGWMJDBORJ-DHRITJCHSA-N 447.435 6.656 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SCC)nnc2[C@H]2CCCO2)cc1OCC 1874444170 BDYVFPGDCRMSCA-KMYAOZERSA-N 432.590 5.092 30 10 IKEE CCSc1nnc([C@@H]2CCCO2)n1/N=C/c1ccc(N(CC)Cc2ccccc2)cc1 1874445011 QLNRKEUPJXDVSF-ALAMRGAJSA-N 435.597 5.150 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3cccc(C)c3)nnc2[C@@H]2CCCO2)c1 1874448363 ZWRCIRNWANBGJC-LWROZRRASA-N 436.581 5.401 30 10 IKEE O=C(O)c1ccccc1/C=N/n1c(SCc2ccccc2Cl)nnc1C1CCCC1 1874455644 CHNQEJYWLQYNQJ-ZMOGYAJESA-N 440.956 5.462 30 10 IKEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3ccc(C)cc3C)nnc2C2CCCC2)c1 1874458036 UGFRZKBOCGWCQR-CVKSISIWSA-N 447.608 5.474 30 10 IKEE Cc1ccccc1CSc1nnc(C(F)(F)F)n1/N=C/c1c(Cl)cccc1Cl 1874458366 JJIMIFVMYLONQV-PGGKNCGUSA-N 445.297 6.087 30 10 IKEE Oc1ccc(Cl)cc1/C=N/n1c(SCc2ccccc2F)nnc1-c1ccco1 1874466985 MSFXFUDLAWPJEF-FOKLQQMPSA-N 428.876 5.211 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2-c2ccco2)cc1 1874468641 RIJVHWJSUPQVLS-AFUMVMLFSA-N 436.968 6.489 30 10 IKEE CCCCc1nnc(SCCC)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874479113 JNMKEGGSXIOECJ-PCLIKHOPSA-N 443.016 6.237 30 10 IKEE C=CCSc1nnc(CCCC)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874479257 QZFXASQRSOVGCP-PCLIKHOPSA-N 441.000 6.013 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1cccc(OC)c1OC 1874509635 NELXZNZWUNXWAP-WYMPLXKRSA-N 448.951 5.215 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2ccc(C(C)C)cc2)c1C 1874509943 CWTFNGSZDPQAOL-VULFUBBASA-N 449.624 5.755 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCC(=O)OCC(C)C)ccc3ccccc23)c(C)c1C 1874586660 YBCFUCMRXDRCRL-ACCUITESSA-N 446.543 5.939 30 10 IKEE CCN(CC)C(=O)COc1c(/C=C/C(=O)c2cc(Cl)ccc2Cl)cccc1OC 1874592367 VQYDIXKZVQMOBP-FMIVXFBMSA-N 436.335 5.145 30 10 IKEE CCc1ccc(NC(=O)COc2cc(/C=C/C(=O)c3cc(C)ccc3C)ccc2OC)cc1 1874596491 WXJXIFJIEVVDPZ-GXDHUFHOSA-N 443.543 5.788 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2cccc(OCc3ccc(C)cc3)c2)cc1 1874597744 BZOZBPQZKIFHTK-HMMYKYKNSA-N 442.599 7.819 30 10 IKEE O=C(COc1cccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1)NCc1ccccc1 1874601074 RRIMXMXNXASVAZ-FMIVXFBMSA-N 440.326 5.585 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(OC)c1OCc1ccccc1F 1874613382 RDCIYCCGGSCZQS-OUKQBFOZSA-N 436.910 6.691 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OCc1cccc2ccccc12 1874617746 RHPRQUSPMVGBCS-DTQAZKPQSA-N 436.551 7.330 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OCc1cccc(F)c1 1874618798 UAEKCLYKQWZDNP-OUKQBFOZSA-N 430.519 6.655 30 10 IKEE Cc1ccc(C)c(COc2ccc(/C=C/C(=O)c3cccc4ccccc34)cc2Cl)c1 1874623864 ZHMPUWJGOGVZIS-WYMLVPIESA-N 426.943 7.585 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3C)c([N+](=O)[O-])c2)cc1Cl 1874636223 PXXHNRAMKKJVFZ-JXMROGBWSA-N 437.879 6.040 30 10 IKEE O=C(CC12CC3CC(CC(C3)C1)C2)Oc1cccc(/C=C/C(=O)c2ccccc2Cl)c1 1874697177 UZQAAJVAQVEOOT-CMDGGOBGSA-N 434.963 6.748 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(F)cc3F)c2)c1 1874706339 BOCYZBSOUKDDJA-UXBLZVDNSA-N 438.426 5.026 30 10 IKEE CCc1ccccc1OCC(=O)Oc1cccc(/C=C/C(=O)c2ccc(OC)c(F)c2)c1 1874707280 YDRACNKJESPMGA-ACCUITESSA-N 434.463 5.277 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1OC(=O)c1sccc1C 1874707289 YNXVJLWCDFPHQI-ZRDIBKRKSA-N 428.509 6.334 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3F)c(Cl)c2)cc1 1875107025 WKXULPXUERAYTQ-RVDMUPIBSA-N 436.910 6.937 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1 1875114834 YCVIGWZCQBWAEE-SDNWHVSQSA-N 427.338 6.221 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 1875128294 BUKHCRCDJFENTK-UKTHLTGXSA-N 431.444 5.417 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2OC)c1 1875134107 KXKWWWLXIYBCQQ-UKTHLTGXSA-N 444.527 5.755 30 10 IKEE O=C(C=C1CCOCC1)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875650320 GRTUPDBVDAGJPJ-MUUNZHRXSA-N 444.527 5.184 30 10 IKEE N#Cc1ccc(OC2CCN(C(=O)c3ccc(Br)c4ccccc34)CC2)cc1 1890869065 MTGFPFUYHZJACJ-UHFFFAOYSA-N 435.321 5.158 30 10 IKEE C=CCC1(NCc2cccc(NC(=O)OC(C)(C)C)c2)CCN(C(=O)OC(C)(C)C)CC1 1924533890 WMXNFQVUBFEXBV-UHFFFAOYSA-N 445.604 5.469 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1930159637 UKDAEYTYQFBJDT-CYFREDJKSA-N 429.561 5.011 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1943924524 LQFFXEBCQNBTFK-JPYJTQIMSA-N 449.617 5.605 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]1CCCCN1C(=O)OC(C)(C)C 1944736792 QOUUEPYLVHCODJ-VQTJNVASSA-N 429.561 5.418 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(CC2CC2)C(=O)OC(C)(C)C)CC12CCCCC2 1949560626 KCKBTHXMTWZQKO-DEOSSOPVSA-N 433.593 5.240 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCC2)C[C@@H]1C1CCC1 2018419655 LTPJWPFDQZOSBC-NTKDMRAZSA-N 433.593 5.238 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)[C@H]1CCSC1(C)C 2033644452 AUKJNICKNFBAIV-CVEARBPZSA-N 425.392 5.614 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@]1(C#N)C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2033849467 XMQMVLJDMRCZGA-QXSURTEESA-N 435.543 5.657 30 10 IKEE O=C(C=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(N2CCOCC2)cc1 2040963573 PPSZQGMYIBBZHA-UHFFFAOYSA-N 428.315 5.986 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@H]3CC[C@@H]32)c1 2057583839 AMWMKURZOZLVGD-RLSLOFABSA-N 441.572 5.418 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@@H]2CC[C@H]21 2057587098 UWHUGQKXHUDOGH-BSWQBHCVSA-N 441.572 5.418 30 10 IKEE CC[C@@H](c1ccc(C)cc1F)n1nc(C(C)(C)C)c(/C=N/O)c1I 2079112725 YZAJTAFBLFOOPG-LKKXKRCMSA-N 443.304 5.040 30 10 IKEE CC(C)c1ccc([C@H](n2nc(C3CCC3)c(C=NO)c2Br)C2(C)CC2)cc1 2079943346 AMELNRJKJNEJGK-FQEVSTJZSA-N 430.390 6.234 30 10 IKEE N#Cc1c(F)cc(Br)cc1N[C@H]1CN(Cc2ccccc2)C2(CCCC2)C1 2163695195 AVDBPEWXINILLM-GOSISDBHSA-N 428.349 5.459 30 10 IKEE C#CCN(CC(C)(C)C)C(=O)c1cc(NC(=O)OC(C)(C)C)c(C)cc1Br 2180072843 FGKWOWIRLVVWHL-UHFFFAOYSA-N 437.378 5.226 30 10 IKEE C#CCn1c(C2CC2)nc(-c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)c1N 2191340132 KJBHUNRSEWAIJJ-UHFFFAOYSA-N 449.554 5.801 30 10 IKEE C=CCCC[C@H](NC)c1sc(Br)c(Br)c1Br 2212199312 BEQBEWYOYUFVOA-ZETCQYMHSA-N 432.019 5.652 30 10 IKEE CC1(C)OB(c2cccnc2Oc2cc(Cl)c(Br)cc2Cl)OC1(C)C 2232303472 HPDHMEXGZAGEBI-UHFFFAOYSA-N 444.949 5.242 30 10 IKEE CC#CCCCC[C@@H](NC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237423802 DUNQQUFLFPJOQV-WOJBJXKFSA-N 437.422 5.057 30 10 IKEE C=CCC[C@@H](C)[C@H](NCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237427236 VVVDPRVVVQDRFO-UXPWSPDFSA-N 439.438 5.465 30 10 IKEE CC(C)(C)C#CC=CC[C@H](N)c1cc(Br)ccc1I 2268815756 DUQVZYUOPNHAER-HNNXBMFYSA-N 432.143 5.049 30 10 IKEE C=CCCC1([C@@H](Cc2cc(Br)ccc2C)NC)CN(C(=O)OC(C)(C)C)C1 2281032583 KOOGKHWNFAOBAN-LJQANCHMSA-N 437.422 5.091 30 10 IKEE C=CCCC1([C@H](NCC)c2ccc(F)cc2Br)CN(C(=O)OC(C)(C)C)C1 2281033519 UYMXVACMNWCKRS-GOSISDBHSA-N 441.385 5.442 30 10 IKEE CC(C)(C)CC1CC([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)C1 2289970582 ZNLISJNIOJKWJJ-LADRWXRNSA-N 435.406 6.545 30 10 IKEE C=C(C(C)(C)C)[C@@](C)(OCC(=O)O)c1cc(Br)c(Br)s1 2291125284 VAIGVSZQVFYMDI-CQSZACIVSA-N 426.170 5.192 30 10 IKEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(Cl)cc2)cc1 2296133087 YFTNJXYEULJUHS-IBGZPJMESA-N 438.936 5.348 30 10 IKEE C[C@H]1C[C@H](C)CN(Cc2c(O)ccc3c2OC(=Cc2ccc(Cl)cc2Cl)C3=O)C1 2296596511 ASMRQDHESBTGRW-KBPBESRZSA-N 432.347 5.793 30 10 IKEE Cc1ccc(N=C2SC(=Cc3cccc(O)c3)C(=O)N2c2ccc(C)c(C)c2)cc1C 2297456173 PIYTUXFPRDSHRQ-UHFFFAOYSA-N 428.557 6.434 30 10 IKEE CCCCCCCCN1C(=O)C(=CC2=Cc3cccc(OC)c3O[C@H]2C)SC1=S 2314450684 LLCQCHZZOQGXRA-INIZCTEOSA-N 431.623 5.964 30 10 IKEE COc1cccc(C(C)=C2SC(=Nc3ccncc3Cl)N(C3CCCCC3)C2=O)c1 2314542845 PURUORWJPKZMDG-UHFFFAOYSA-N 441.984 6.070 30 10 IKEE CC(=C1SC(=Nc2nc(-c3ccccc3)cs2)N(C)C1=O)c1ccc(Cl)cc1 2314543590 IBDVRMSVCPHWIJ-UHFFFAOYSA-N 425.966 6.087 30 10 IKEE Cc1ccc(COc2ccc(C=C3SC(=Nc4c(C)cccc4O)NC3=O)cc2)cc1 2314557352 ZEIIUMFAWLESEG-UHFFFAOYSA-N 430.529 5.480 30 10 IKEE C=CCN1C(=O)C(=Cc2c(Cl)cccc2Cl)SC1=Nc1ccc(C(=O)O)cc1 2314926979 WVEJBQSPEYYCHD-UHFFFAOYSA-N 433.316 5.482 30 10 IKEE CCc1nnc(SCC(=O)Nc2ccccc2C)n1N=Cc1ccc(C(C)(C)C)cc1 2320971791 VJYOXCORHAZHQA-UHFFFAOYSA-N 435.597 5.059 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCc4cccc(Cl)c4)c3C)C2=O)c(OC)c1 2321762366 BFVVUOFNZFYMMC-UHFFFAOYSA-N 436.891 5.861 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OCc3ccc(Cl)c(Cl)c3)cc(C)c2C1=O 2321790233 CKTZOQORIYTXKL-UHFFFAOYSA-N 425.311 6.805 30 10 IKEE Cc1c(OCc2c(F)cccc2Cl)ccc2c1OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2321802392 HJBNXONWPDUXPD-UHFFFAOYSA-N 439.826 5.891 30 10 IKEE CCCSc1nnc(C(C)C)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2321828840 GKWXNQYABSLNGA-UHFFFAOYSA-N 428.989 6.018 30 10 IKEE COc1ccc([C@H](C)N2COc3ccc4c(c3C2)OC(=Cc2ccc(C)o2)C4=O)cc1OC 2322260349 AYWAABUKURNXCF-INIZCTEOSA-N 447.487 5.135 30 10 IKEE COc1cccc(C=CC(=O)c2cc(C)ccc2C)c1OCC(=O)Nc1c(C)cccc1C 2322624071 CWEUDOMPKDLJTD-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc2c(c1C)OC(=Cc1cccc(Br)c1)C2=O 2322684277 XBEFZJNMYDESRT-UHFFFAOYSA-N 449.300 5.901 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1nc(O)c2ccccc2n1)c1ccc(F)cc1 2322748442 WPROGZLKVQWTTM-UHFFFAOYSA-N 434.854 5.603 30 10 IKEE COc1ccc(NN=Cc2ccc(OCc3cccc(Cl)c3)c(OC)c2)cc1Cl 2322926580 ZPZHGKHTBNNXGA-UHFFFAOYSA-N 431.319 6.036 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(OC)c3ccccc23)c1OCCCO 2323018963 JPLVYCXNCPHNJZ-UHFFFAOYSA-N 426.896 5.168 30 10 IKEE CCN(CC)C(=O)COc1c(C=CC(=O)c2ccc(OC)c3ccccc23)cccc1OC 2323022161 FCALQPFGIVGRJY-UHFFFAOYSA-N 447.531 5.000 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3ccc(C)cc3C)c2)cc1 2323060718 RZULWEPSDRAMMT-UHFFFAOYSA-N 443.543 5.788 30 10 IKEE O=C(COc1cccc(C=CC(=O)c2cc(Cl)ccc2Cl)c1)NCc1ccccc1 2323327506 RRIMXMXNXASVAZ-UHFFFAOYSA-N 440.326 5.585 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc3c(c2C)OC(=Cc2sccc2C)C3=O)cc1 2323374532 FLSWAWFGQVUJRJ-UHFFFAOYSA-N 434.513 5.528 30 10 IKEE CCOc1cc(C=Nn2c(S)nnc2Cc2ccccc2)cc(Cl)c1OCC(C)C 2323511540 OOVKANOZPZBLMH-UHFFFAOYSA-N 444.988 5.127 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3C)c([N+](=O)[O-])c2)c(C)c1 2323858145 KQOKPDDJBFEMLO-UHFFFAOYSA-N 444.487 5.434 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1Cl 2323900662 WTKKANFAEORZGQ-UHFFFAOYSA-N 433.935 6.124 30 10 IKEE Cc1cc(O[C@H](C)C(=O)OC(C)C)cc2c1C(=O)C(=Cc1ccc(Br)cc1)O2 2324305271 SPSBOJNEXVBFET-CQSZACIVSA-N 445.309 5.093 30 10 IKEE COc1cc(C(=O)C=Cc2ccc(OCc3ccccc3F)cc2)c(OC)cc1Cl 2324405626 AUNAJLDFWCFXBM-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1 2324451300 WXFXDDNKFMHJBA-HNNXBMFYSA-N 449.890 5.371 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OCc4nc(O)c5ccccc5n4)c3C)C2=O)cc1 2325205725 KEWOIAIJANBQGJ-UHFFFAOYSA-N 438.483 5.401 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCCC(=O)Nc4ccc(C)cc4)cc(C)c3C2=O)cc1 2325234677 OJXYCSHMHSYNPW-UHFFFAOYSA-N 441.527 5.890 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(OCC(=O)Nc3ccc(C(C)C)cc3)c2C)C1=O 2325318804 HMSKZJUARYCQNM-UHFFFAOYSA-N 447.556 6.122 30 10 IKEE COc1cccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccccc2)c1 2325448400 NMDZYMIJQRXKJV-UHFFFAOYSA-N 428.561 5.246 30 10 IKEE CCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(OCc2ccccc2)cc1 2325578483 LYTYPRCIWNOMRN-UHFFFAOYSA-N 446.551 5.733 30 10 IKEE CCOc1ccc(C=Nn2c(CC)nnc2SCc2cc(C)ccc2C)cc1OCC 2325592918 ODCSHQJDTPHVRK-UHFFFAOYSA-N 438.597 5.429 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OCC(=O)Nc3cccc(Cl)c3)cc(C)c2C1=O 2325717519 CCMWJPUXKCQSFR-UHFFFAOYSA-N 439.920 5.652 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2OC)cc1OC(=O)c1cc(C)cc(C)c1 2325742751 NNHQKSYPSAVKIU-UHFFFAOYSA-N 430.500 5.744 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OC(=O)CCCOc2cccc(C)c2)c1 2325743547 BCJWGYKEILOIFL-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1OC(=O)c1ccc(C)c(C)c1 2325744954 SMPYIFQPRVFHGZ-UHFFFAOYSA-N 444.483 5.199 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC(=O)[C@@H](C)c2ccccc2)c1 2325752834 YZEYFWLHBIFCNI-FQEVSTJZSA-N 442.555 6.598 30 10 IKEE COc1ccc(OCCCc2nnc(SC)n2N=Cc2cccc3ccccc23)cc1 2326252099 GFYVKSRRTGFAQH-UHFFFAOYSA-N 432.549 5.056 30 10 IKEE Cc1ccc(COc2ccccc2C=Nn2c(C)nnc2SCc2ccccc2F)cc1 2326263349 VJDHIIRGVYKBIS-UHFFFAOYSA-N 446.551 5.788 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1c(Cl)cccc1Cl 2326417900 OPQKLUORJAAUHK-UHFFFAOYSA-N 433.408 6.329 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1ccccc1C(F)(F)F 2326681353 NRDWWMPBFPBLSR-UHFFFAOYSA-N 443.498 5.686 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1cccc2ccccc12 2327567111 QCLLZCYKAROXCU-UHFFFAOYSA-N 448.979 6.214 30 10 IKEE CCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(Cl)c(Cl)c1 2327739323 BYKJJGUAOQYTKB-UHFFFAOYSA-N 441.387 6.323 30 10 IKEE CCSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc(Cl)cc1Cl 2327948494 ZXIPZTGHAMJFKG-UHFFFAOYSA-N 439.799 6.018 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@@H](NC(=O)C=Cc3ccc(C)cc3)C2)c1 2329236329 WUEGUPQFKYAXMT-RUZDIDTESA-N 445.607 5.267 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(F)cc1 2330063681 BYJQMYVAHNGQIP-QGZVFWFLSA-N 434.515 5.883 30 10 IKEE Cc1cccc(CSc2nnc(CC3CCCCC3)n2N=Cc2cccc([N+](=O)[O-])c2)c1 2330245815 VDJGATLXBPSWLJ-UHFFFAOYSA-N 449.580 5.792 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(Cc2ccccc2)n1N=Cc1ccc[nH]1 2330520684 ILKCWPYIPUPASX-UHFFFAOYSA-N 425.920 5.164 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2c(F)cccc2Cl)cc1)c1ccc2ccccc2c1 2330653515 IULBLSACKPSPEM-UHFFFAOYSA-N 430.862 6.748 30 10 IKEE O=C(Cc1ccc(Cl)cc1)Oc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1 2330678657 MWTBQVRHZHBFED-UHFFFAOYSA-N 430.931 6.263 30 10 IKEE COc1ccccc1C=Nn1c(SCc2cccc(Cl)c2)nnc1-c1ccccc1 2330692744 PVRBVRHWXOLPIH-UHFFFAOYSA-N 434.952 5.782 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3ccncc3)c(OC)c2)cc1C 2330854637 UXGIOBHPFWEZGF-UHFFFAOYSA-N 437.879 5.176 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(OC)c(OC(=O)Cc2ccc(C)cc2)c(OC)c1 2331051995 NSVSEKAKOAMBQO-UHFFFAOYSA-N 446.499 5.065 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCCC3)n2N=Cc2ccc3c(c2)OCCO3)c1 2331071801 USGFDGWQDGFATL-UHFFFAOYSA-N 448.592 5.498 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccccc1OC(C)C 2331328855 UYNGCSDBSJBOPZ-UHFFFAOYSA-N 426.561 5.722 30 10 IKEE CCOc1cc(C=Nn2c(SC)nnc2C(C)(C)C)ccc1OCc1ccc(C)cc1 2331358830 SHMJQLKIZKKTLG-UHFFFAOYSA-N 438.597 5.466 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)[C@H](C)c1ccccc1 2331512090 FLMGIHKHYXPBAG-MRXNPFEDSA-N 438.882 6.093 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1OC 2331608500 DJQBSCOFFDJCKG-UHFFFAOYSA-N 430.500 6.479 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OC(=O)CC3CCCCC3)c(Cl)c2)c1C 2331645697 GFHCKOHFFGQEQD-UHFFFAOYSA-N 438.995 7.346 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1 2331809748 SHEOJUYZXOBYFD-UHFFFAOYSA-N 435.347 6.774 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Cl)cc(Br)c1F 2337108952 KZGDKMKYNQEGAC-WBVHZDCISA-N 449.792 5.752 30 10 IKEE CO[C@H](C#C[C@H](O)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1)C1CCCC1 2369619061 QDCXZXLBFRKHQA-RBUKOAKNSA-N 438.362 5.038 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)c(Cl)c2)cc1 21224871 YIXMEADIHICXIO-SJLPKXTDSA-N 444.358 5.787 30 10 IKEE CC(C)Oc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc3ccccc23)cc1 21225104 ZJBMQWPPZOSTMW-RDPSFJRHSA-N 425.528 5.631 30 10 IKEE CCc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(N(C)C)cc2)C3)cc1 21247744 UHDWQMIDCMXSKD-MNNSJKJDSA-N 437.587 6.295 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(OCC(C)C)cc2)cc1 21258343 IRSSFEQNVRLDBR-NFBKMPQASA-N 433.548 5.124 30 10 IKEE CCCn1cc(CN/C(=N/C(=O)c2cc(C)cc(C)c2)Nc2cccc(Cl)c2)c(C)n1 32972928 DRMQAGSJKOGZLG-UHFFFAOYSA-N 437.975 5.270 30 10 IKEE O=C(/C=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1 34954981 UVVCQMPGFNCQDI-NTEUORMPSA-N 441.708 6.218 30 10 IKEE C=CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(OC)cc2)c1 39872785 DPXJEFRYKCZOEJ-DEOSSOPVSA-N 439.467 5.116 30 10 IKEE Cc1c(OC(=O)Cc2ccccc2)ccc2c1O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 41355734 OYPPRRHWZMTZAN-IMRQLAEWSA-N 446.502 6.426 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OCc4ccc([N+](=O)[O-])cc4)c3C)C2=O)c1OC 41501495 ROJOCEQFZGKEIS-XKZIYDEJSA-N 447.443 5.116 30 10 IKEE Cc1ccccc1/C=N\N=C1\S/C(=C\c2ccc(N(C)C)cc2)C(=O)N1Cc1ccco1 47138669 MKTRHMGNFZSGSC-YWDMMNGVSA-N 444.560 5.161 30 10 IKEE C=CCCC(=O)Nc1ccc2nc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])sc2c1 59721062 LHCQNAHAAACFIS-UHFFFAOYSA-N 430.467 5.169 30 10 IKEE O=C1N/C(=N\c2cccc3ccccc23)S/C1=C\c1cc(Br)ccc1O 96576821 OVRQBZRVUHDVND-WQRHYEAKSA-N 425.307 5.200 30 10 IKEE CCCCCCCOc1cccc(NCCNc2ccc(OCCCCCC)cc2)c1 100054202 ONUQHYBWTMIKNT-UHFFFAOYSA-N 426.645 7.519 30 10 IKEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2cccc(F)c2)cc1 102501018 VEXIJUURWJQFRF-AGGMBTAESA-N 444.487 5.370 30 10 IKEE CCCCCC(=O)/C=C/[C@@H]1[C@H](OC(=O)c2ccc(-c3ccccc3)cc2)C[C@H]2OC(=O)C[C@H]12 103696200 KVAPQSSLLZXBHI-ZTZDZHAZSA-N 446.543 5.536 30 10 IKEE CCCCCCCCCCCCCCCCNC(=S)NC(=O)/C=C\c1ccccc1 109490922 JUADAFPFIFBPRR-DQRAZIAOSA-N 430.702 7.172 30 10 IKEE C=C(C)[C@@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]34C)[C@H]12 169302395 MQYXUWHLBZFQQO-RYIHONRDSA-N 426.729 8.025 30 10 IKEE biogenic CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2)cc1 169974861 AOEUOOSRFYYVLZ-QHCPKHFHSA-N 429.491 5.906 30 10 IKEE CC(C)Oc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C2CCCC2)c1 169981467 XIYVPDIOXYIIFU-QFIPXVFZSA-N 439.939 5.648 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(Cl)c2)[C@H]1c1ccncc1 170021741 SHFLNYNNHTWFKL-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccco2)c1 170089550 MXCWPEXVWJXHIC-QHCPKHFHSA-N 447.487 5.168 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)cc3)[C@@H]2c2ccco2)c1 170089790 CTFOWERZKYSIAT-QHCPKHFHSA-N 447.487 5.250 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(O)cc1 170132930 IIYSGWDMKSVOJE-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@@H]1c1cccs1 170165829 NLPPWIDFGYYYFA-SFHVURJKSA-N 433.957 5.487 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@H]2c2ccccc2)cc1 170224360 QYVSTOUMGXBWDQ-VWLOTQADSA-N 441.527 5.821 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2)cc1 170230463 QKJODHBLEWXMKA-DEOSSOPVSA-N 445.515 5.627 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1c[nH]c2ccccc12 170255467 YTFMDVJZUIYCTN-QFIPXVFZSA-N 444.487 5.301 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cc(OC)ccc3Cl)=C(O)C(=O)N2C2CCCC2)cc1 170268649 BKIDURXUSATTDP-JOCHJYFZSA-N 439.939 5.432 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@H]1c1ccccc1C 170277312 TVQUVGFRIMYFQT-RUZDIDTESA-N 449.591 6.204 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(OCC(C)C)cc2)=C(O)C(=O)N1C1CCCC1 170278452 ZFWMBELJTCSARM-XMMPIXPASA-N 433.548 5.551 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccco2)cc1Cl 170288448 UFALBYMUHRPDMN-FPTDNZKUSA-N 449.890 5.348 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(C)cc4C)[C@@H]3c3ccco3)oc12 170289545 XQVMUSDUDJDWOH-JOCHJYFZSA-N 443.455 5.434 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2sccc2C)cc1C 170314432 AEJAYQJBULXIHO-QFIPXVFZSA-N 447.556 5.773 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2sccc2C)c1 170316232 HGYFUYUWHZNRMN-HXUWFJFHSA-N 437.517 5.217 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1c1ccc(F)c(Cl)c1 170333812 LTNDZEDKLFRONJ-IBGZPJMESA-N 443.883 5.332 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(Cl)cc2)c1 170365096 KONBSSVOOUBPPL-FQEVSTJZSA-N 439.920 5.583 30 10 IKEE Oc1ccc(C=Nc2ccc(Cc3ccc(N=Cc4ccc(O)c(O)c4)cc3)cc2)cc1O 254294562 JVTGQUJALZMOKI-UHFFFAOYSA-N 438.483 5.601 30 10 IKEE CC(C)(C)NC(=S)NN=Cc1ncc(C(F)(F)F)cc1Sc1ccc(Cl)cc1 254439005 HQCINBCZIQACNX-UHFFFAOYSA-N 446.951 5.502 30 10 IKEE CCCCn1c(N=Cc2ccccc2NS(=O)(=O)c2ccc(C)cc2)nc2ccccc21 254479734 LJOIKMBDMABBKI-UHFFFAOYSA-N 446.576 5.696 30 10 IKEE CN(N=Cc1cc(Cl)cc(Cl)c1O)C(=S)SCc1c(F)cccc1Cl 254806514 WRJKTKZWHIXDPU-UHFFFAOYSA-N 437.776 5.976 30 10 IKEE CC(C)COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(O)cc2)cc1 526517517 RPWJNBCUQFBIFT-RUZDIDTESA-N 440.499 5.356 30 10 IKEE CC(C)COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccncc2)cc1 526517745 UCZVRMDRVKFVNY-DEOSSOPVSA-N 425.488 5.045 30 10 IKEE Cc1cccc([C@H]2C(c3ccc(Cl)cc3Cl)=C(O)C(=O)N2c2cccc(C#N)c2)c1 526520567 HPMLZYAFRUIDIU-QFIPXVFZSA-N 435.310 6.231 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@@H](NC(=O)c3ccc4cc[nH]c4c3)C2)c1 586050688 WONBACMETRDRHH-HSZRJFAPSA-N 444.579 5.040 30 10 IKEE C=CCN(CCc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(CCCCCC)cc1 586181199 JKERLOBPGDNKDW-UHFFFAOYSA-N 445.625 5.246 30 10 IKEE N#Cc1cccc(C(=O)Oc2cccc(NC(=O)NC3CCCCCCCCCCC3)c2)c1 586548982 XSQNECUWZFRRSB-UHFFFAOYSA-N 447.579 6.572 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@H](C#N)c1ccc(Cl)cc1Br 698422946 FDRVRIQJJWWKKV-SFHVURJKSA-N 435.749 6.104 30 10 IKEE COc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)cc1F 698458770 UOCCUZJLQOAINI-QGZVFWFLSA-N 435.293 5.603 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@]1(C#N)[C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C1(C)C 703311538 KUCRNZDMTWYXGB-HOOSLVGPSA-N 435.609 5.197 30 10 IKEE CCCCCCCCC[C@H](NCC)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 707888017 ZARDKZXSOOQKKK-PZUNEJSGSA-N 448.692 6.604 30 10 IKEE COCc1csc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)c1 710760648 OGGMPOVRFMHHLM-INIZCTEOSA-N 437.359 5.663 30 10 IKEE O=[N+]([O-])c1ccc(-n2c(-c3ccccc3)cc(C=Nc3cccnc3)c2-c2ccccc2)cc1 1083947720 AGQMCXXJTPDOAE-UHFFFAOYSA-N 444.494 6.865 30 10 IKEE C/C(=N\N=C1\S[C@@H](CC(=O)O)C(=O)N1c1ccccc1)c1ccc(C2CCCCC2)cc1 1084079219 LNLMFHAGZIYXGD-XZTZVKOASA-N 449.576 5.438 30 10 IKEE CCS(=O)(=O)c1ccc(/C(=N/OCc2cccc(-c3ccccc3)c2C)C2CC2)cc1 1088646605 OQMCPFMMFLSUKC-CYYJNZCTSA-N 433.573 5.787 30 10 IKEE COc1ccc2nc(SCC(=O)Nc3ccc(N4CCC(C)CC4)cc3)c(C#N)cc2c1 1858204669 IUZIXUMAJCUTHO-UHFFFAOYSA-N 446.576 5.082 30 10 IKEE C=CCN(CC=C)C(=O)Oc1cccc2c(NC(=O)c3c(F)cccc3Cl)cccc12 1858948841 ZNIQDNAAPJTCBN-UHFFFAOYSA-N 438.886 6.057 30 10 IKEE O=C(/C=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1 1860727503 QVFXSOLOAXYYCE-AWNIVKPZSA-N 436.851 5.048 30 10 IKEE Cc1ccccc1OCCCCSc1nc(O)c(C#N)c(-c2ccccc2Cl)n1 1860824887 APIFLIWDODZZNE-UHFFFAOYSA-N 425.941 5.634 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CC)cc1 1862388233 DPGUTZKJNNXAQM-HXUWFJFHSA-N 448.346 5.771 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccccc2)cc1 1862433192 XEAIUWSAGUBKMY-DEOSSOPVSA-N 445.946 6.242 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cc(Br)ccc1F 1862484279 LDETYXGOJGDJMG-YJYMSZOUSA-N 446.316 5.273 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2cccc(Cl)c2)ccc1F 1862503430 XJEABYQCHBMUAV-QMHKHESXSA-N 449.909 6.127 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)cc1 1862613768 PCBQLDOUAJDVGJ-BFMBIBTESA-N 445.603 6.450 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862667488 CIOWSFVYJSZAQN-NRFANRHFSA-N 446.374 6.495 30 10 IKEE N#Cc1ccccc1N1C(=O)C(Nc2ccc(F)cc2)=C(c2cccc3ccccc23)C1=O 1862854292 QKYWEEPHPWBHCI-UHFFFAOYSA-N 433.442 5.247 30 10 IKEE Cc1cc(Cl)ccc1NC1=C(c2ccc(F)cc2F)C(=O)N(c2cccc(C#N)c2)C1=O 1862946311 HSUZJYSHHFDRTH-UHFFFAOYSA-N 449.844 5.195 30 10 IKEE N#Cc1ccccc1NC1=C(c2c[nH]c3ccccc23)C(=O)N(c2ccccc2Cl)C1=O 1863134840 ODVNUVNBFJQIKY-UHFFFAOYSA-N 438.874 5.090 30 10 IKEE CC(C)(C)c1nc(Nc2ccccc2C#N)cc(N2CCC[C@H](Oc3ccccc3)C2)n1 1868349369 QSYUKGSBXBDOLK-NRFANRHFSA-N 427.552 5.437 30 10 IKEE C=CCN(CC=C)c1cc(N2CCN([C@@H](C)c3cccs3)CC2)nc(-c2ccccc2)n1 1869209838 XIJWXTUVKDEELK-NRFANRHFSA-N 445.636 5.267 30 10 IKEE CCCCCCCCCCn1cc(OCCCCC)c(=O)cc1CN(CCC)CCC 1870678669 GUNGVGNSJDZYLU-UHFFFAOYSA-N 434.709 7.180 30 10 IKEE C=CCn1cc(OCc2cccc3ccccc23)c(=O)cc1CNc1ccc(N(C)C)cc1 1870918323 DFGKBLDCJMZJBC-UHFFFAOYSA-N 439.559 5.445 30 10 IKEE CCCCCCCCn1cc(OCCCC)c(=O)cc1CNc1ccc(CCCC)cc1 1871110915 JWVXXKUNUUAQPJ-UHFFFAOYSA-N 440.672 7.342 30 10 IKEE CCCCC[C@H](CC)N1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc2c(c1)OCO2)C3=O 1871347597 JZNFCBONVKDTAI-HTAGGTJDSA-N 449.547 5.851 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OC(=O)c3cc4ccccc4oc3=O)cc(C)c2C1=O 1871379266 OKXNBBKYILIGCH-NDENLUEZSA-N 444.464 5.307 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(C(C)C)cc2)cc2c1C(=O)/C(=C/c1ccccc1)O2 1871435394 JBKUAEDNVIOWAZ-OYKKKHCWSA-N 427.500 5.752 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OCC(=O)Nc3ccc(C(C)C)cc3)cc(C)c2C1=O 1871435400 JLKVOJJOYQQJQL-XKZIYDEJSA-N 447.556 6.122 30 10 IKEE CC(=O)c1ccccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(C)cc1)C2=O 1871441885 OOUCIGWUDCHVDH-OYKKKHCWSA-N 441.483 5.140 30 10 IKEE O=C(CCOc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O)Nc1ccccc1 1871447397 RQTDCBFUFQGWDK-HMAPJEAMSA-N 437.854 5.503 30 10 IKEE COc1cc(/C=C2\Oc3cc(OCc4cccc(C)c4)ccc3C2=O)cc(OC)c1OC 1871455332 MWPUFRCSTPRGQM-JJFYIABZSA-N 432.472 5.216 30 10 IKEE C=CCN([C@@H](C(=O)Nc1cccc(C)c1C)[C@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872521666 MQYDCBOQTYOZEE-HOYKHHGWSA-N 442.625 5.150 30 10 IKEE COc1ccccc1-c1csc([C@@H](C#N)C(=O)c2ccccc2C(=O)c2ccccc2)n1 1872763360 KECGFUKQRZNBRL-NRFANRHFSA-N 438.508 5.540 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)n2)cc1 1872770177 MGXDDOMVSKGHPD-WZONZLPQSA-N 448.588 6.366 30 10 IKEE Cc1ccc(C)c(-c2csc([C@@H](C#N)C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)c1 1872773347 ZBFQEONPNNNFKE-IBGZPJMESA-N 446.532 5.425 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2OCCCC)=C(c2ccccc2)C1=O 1873413715 LONHXHPXXOCHFY-UHFFFAOYSA-N 448.607 6.418 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)cc2c(NCCc3ccc(F)cc3)ncnc21 1873615952 QCYSAJQIMHBKHS-UHFFFAOYSA-N 443.526 5.280 30 10 IKEE CCCSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1ccc(O)cc1 1874198532 GGQYTGRPNQAFRX-NLRVBDNBSA-N 446.576 5.533 30 10 IKEE CCCSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1ccc(F)cc1 1874209142 DXHDVUSFQINIHQ-LPYMAVHISA-N 433.350 5.155 30 10 IKEE CCCSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1ccc(F)cc1F 1874258673 CPEAJINVBWISDD-AFUMVMLFSA-N 430.524 5.472 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3Cl)n2/N=C/c2ccncc2)cc1 1874276124 WEIINCXEGVSTNP-JVWAILMASA-N 447.995 5.595 30 10 IKEE CCCCC1CCC(c2nnc(SCCCO)n2/N=C/c2ccc(OCC)cc2)CC1 1874286766 XRGXPWCYMLUVFN-XIEYBQDHSA-N 444.645 5.498 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3C)n2/N=C/c2ccccc2)cc1C 1874329013 RHJIRCONPCKDKH-MTDXEUNCSA-N 440.616 6.163 30 10 IKEE CCSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874330498 VCQHJSGNMXLYRG-VULFUBBASA-N 432.515 5.693 30 10 IKEE C=CCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc(N(CC)CC)cc1 1874342767 IILJJIUXWMSPHB-KOEQRZSOSA-N 440.016 5.529 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C/c2ccc(Cl)cc2)cc1 1874396143 APWDPBHKRFGFDO-WPWMEQJKSA-N 447.007 6.200 30 10 IKEE O=[N+]([O-])c1cccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccccc2)c1 1874402704 KFFMZRHETTYSCX-KOEQRZSOSA-N 443.532 5.146 30 10 IKEE Cc1cccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2cccc(Cl)c2)c1 1874404462 YQGXDAFIQGFNJN-WPWMEQJKSA-N 447.007 6.200 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2cc(C)ccc2C)nnc1-c1ccccc1 1874428606 QZHPDEXDBLLNTG-WGOQTCKBSA-N 428.561 5.745 30 10 IKEE CCCCCCOc1ccc(/C=N/n2c(SCC)nnc2[C@H]2CCCO2)cc1OC 1874445505 YHTINAKBPSPHTC-KMYAOZERSA-N 432.590 5.092 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C(C)(C)C)c1 1874485799 NCWBATIIRFIOBV-WYMPLXKRSA-N 433.408 6.365 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)C)n2/N=C/c2ccccc2OC(C)C)c1 1874489781 KIUCVTLPBNRHQD-CVKSISIWSA-N 436.625 6.055 30 10 IKEE Oc1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2Cl)nnc1C1CCC1 1874497643 TWBLDOUIXAHAFQ-FOKLQQMPSA-N 433.364 5.733 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1/N=C/c1ccc(Cl)cc1 1874509788 VIYIJBOSGCKOAB-ZMOGYAJESA-N 441.988 5.114 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CC2)c1 1874520383 KKXBOHWBRYMKLO-ZVHZXABRSA-N 426.973 5.772 30 10 IKEE COc1ccc(/C=N/n2c(C)nnc2SCc2c(Cl)cccc2Cl)c(OC)c1 1874533448 JDUOCBYLHKFVKM-LSHDLFTRSA-N 437.352 5.085 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1OCc1ccccc1Cl 1874573239 CYRDFVKXYWYRLF-FMIVXFBMSA-N 447.745 7.131 30 10 IKEE CCOc1c(Br)cc(Br)cc1/C=C/C(=O)c1ccccc1OC 1874577147 YRIUQLTWUHEUQF-CMDGGOBGSA-N 440.131 5.515 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C)c(C)c2)c1OCC(=O)Nc1cccc(C)c1C 1874587774 CVXJOOVKDMCPND-CCEZHUSRSA-N 443.543 5.842 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccccc2F)cc1Cl 1874591199 XTBKIOLJARVVLW-RMKNXTFCSA-N 431.290 6.616 30 10 IKEE CCOc1c(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc(Br)cc1OC 1874592204 RWIQUIIMTXFSGW-PKNBQFBNSA-N 441.321 5.914 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OC)c1OCc1ccc(F)cc1 1874592641 UTPKUHYFEJOIEX-XYOKQWHBSA-N 426.871 5.971 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OCC(=O)Nc1ccc(C)cc1 1874595460 MIRMOPMGCOHPGA-XYOKQWHBSA-N 435.907 5.571 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OCC(=O)Nc1cc(C)cc(C)c1 1874598073 SBQCSVQLJHYDFP-ONNFQVAWSA-N 433.479 5.365 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OCC(=O)NC1CCCCC1 1874602882 DXBLMPDCMLRKLR-RVDMUPIBSA-N 443.543 5.572 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OCc1ccccc1C 1874603725 BOVWXKUQKYTHIK-NTCAYCPXSA-N 442.555 6.366 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OCC(=O)NCc1ccco1 1874622359 CWQZJPLQYGEZGV-NTUHNPAUSA-N 447.531 5.177 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2cccc(/C=C/C(=O)c3cccc(Br)c3)c2)c1 1874697537 CKCVYTXAZQQZTC-MDZDMXLPSA-N 435.317 6.181 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OC(=O)c1ccccc1-c1ccccc1 1874702800 KFGOVXIOCHLCTG-NBVRZTHBSA-N 448.518 6.786 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2cc(/C=C/C(=O)c3cc(C)ccc3C)ccc2OC)c1 1874703422 OSLWTYUBBBHTAD-CSKARUKUSA-N 446.499 5.445 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cccc(OC(=O)CCc2ccccc2C)c1 1874713487 YXHXZOAWRTUPIO-WYMLVPIESA-N 428.528 6.055 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(OC(C)C)cc2)CSc2nnc(CC)n21 1874833566 QXURPUPBSIUZEM-OAQYLSRUSA-N 444.645 5.690 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1cccc(C)c1 1875094338 NDZRLCLEUQZDKK-ZRDIBKRKSA-N 431.444 5.417 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccc(CC)cc3)cc2)cc1 1875107015 VTRLQLUAHHMKKH-RCCKNPSSSA-N 440.583 7.026 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1)c1ccc(Br)cc1 1875120584 ZTAXESNSHZFIPQ-KGVSQERTSA-N 443.243 5.843 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3cccc(Cl)c3)cc2Cl)cc1 1875121622 YUDBWFYRWHYYHK-YRNVUSSQSA-N 441.310 6.046 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(Cl)c1)c1ccccc1 1875127880 CQGASVWTGTYYKO-UXBLZVDNSA-N 442.254 6.017 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)c1ccccc1C 1875141234 UKSHZZLNJXYDAC-FMIVXFBMSA-N 434.463 5.575 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc1Cl 1875162614 IBCRHOVHDWIGER-PKNBQFBNSA-N 428.956 6.772 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)COc1ccccc1 1875175509 SQXFMKLNMXBQCN-ACCUITESSA-N 446.499 5.201 30 10 IKEE O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(C(F)(F)F)cc1C(F)(F)F 1889875926 KXJXDDRAEIYDTO-UHFFFAOYSA-N 435.673 6.649 30 10 IKEE C=C1C[C@H]1CSC(C)(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1892320505 HDVSCNCOWTYTPX-KSFYIVLOSA-N 437.561 5.066 30 10 IKEE CCCCCCC[C@H](NCCC)c1sc(Br)c(C)c1Br 1922912649 PHBSUJLFOJFYKL-ZDUSSCGKSA-N 425.274 6.983 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1944737468 YMOWQYGHPDKJCR-OALUTQOASA-N 449.979 5.763 30 10 IKEE C#CCCN(C(=O)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCC1 1984726063 VHCNEMADOVDGBK-HXUWFJFHSA-N 444.575 5.098 30 10 IKEE C#CCN(C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC)C(C)(C)C 1984778219 DAUHQRLJDYDRCV-DFBJGRDBSA-N 446.591 5.200 30 10 IKEE C#CCCC[C@H](NCCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997454919 INGBHKDGVQYGNK-OZXSUGGESA-N 428.617 5.002 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)C[C@@H]1C1CC1 2018416144 DMVDVSAWUCWNQU-NTKDMRAZSA-N 433.593 5.238 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@H](C#N)[C@]1(C)CCCN1C(=O)OC(C)(C)C 2020804266 NSWFCUVYIDVAQL-JPYJTQIMSA-N 449.979 5.763 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)CC12CC2 2037525255 FDDWXWWVAKINHG-VWLOTQADSA-N 447.620 5.772 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1(C)C 2068177134 CCOZZSSHYYWPAE-DEOSSOPVSA-N 447.551 5.639 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@@H](C#N)[C@@]1(C)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2078865865 MIAVDBLIQGXKOD-UQBPGWFLSA-N 443.588 5.746 30 10 IKEE CCCc1ccc([C@H](C(C)C)n2nc(CC)c(C=NO)c2I)cc1 2080032607 FPLVMKBABRBCTK-SFHVURJKSA-N 439.341 5.056 30 10 IKEE C=CCCCCCC[C@H](N)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2085844088 JIDIPNUYEXEJOO-DEOSSOPVSA-N 443.676 5.790 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)C1(C#N)[C@H](C)CN(Cc2ccccc2)C[C@H]1C 2099264696 AKZNDKMGMHFXDJ-NHCUHLMSSA-N 449.595 5.487 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Cl)c(Br)c1F 2102881517 AZCFNZWHLNQQNL-RHSMWYFYSA-N 447.776 5.199 30 10 IKEE N#Cc1ccc(NCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)c(F)c1 2134728220 QKSBPQZUCNYKPY-UHFFFAOYSA-N 438.502 6.467 30 10 IKEE C#CCCCCC[C@@H](NCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134731040 SDEVAHNUVJIRCN-MUUNZHRXSA-N 441.615 7.079 30 10 IKEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(Cc2cc(Cl)ccc2Br)CC1 2137177477 NFDXIWIFQKCSMB-UHFFFAOYSA-N 426.591 5.256 30 10 IKEE N#Cc1cc(F)c(NC[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc1Br 2159218777 YEGJCJATXHSGKC-GGPHIMKMSA-N 428.349 5.315 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(C#N)c(Br)c2)CC12CCCC2 2194601994 ZACJEGDXUXWNRL-QGZVFWFLSA-N 434.378 5.445 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCC[C@@]2(C#N)N(C(=O)OC(C)(C)C)C2CCCC2)C1 2218417976 PQULTOFTAMOBOU-NNPDTBDGSA-N 447.620 5.486 30 10 IKEE Cc1ccc(C#C[C@@H](N)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1 2231159018 VPUFJJSNMPXDEE-MUUNZHRXSA-N 433.551 6.205 30 10 IKEE CCCCCCCCC[C@@H](CO)N(C(=O)OCc1ccccc1)c1ccc(Cl)cc1 2235446576 WMMJYAYFKJWOMB-DEOSSOPVSA-N 432.004 6.985 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC 2235720427 PITCJIJAZROPBH-DBVUQKKJSA-N 437.422 5.108 30 10 IKEE CCC[C@H](CCNC(=O)OC(C)(C)C)CC[C@@H](N)C#Cc1ccccc1Br 2235746062 HQSCREFGISSSGJ-PKOBYXMFSA-N 437.422 5.239 30 10 IKEE CCCCCCC[C@H](NC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237426119 BUIYJPCYZHHKAN-VQTJNVASSA-N 441.454 5.833 30 10 IKEE Cc1cc(O)cc(C)c1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2282825643 NUYPUBFQHGHVSE-GOSISDBHSA-N 431.330 5.778 30 10 IKEE CN[C@@H](C#Cc1ccc(Br)cc1)CCC[C@H](NC(=O)OC(C)(C)C)C(C)C 2296294931 YVLSNKGBQRDPBE-UXHICEINSA-N 437.422 5.108 30 10 IKEE Cc1ccc(C(=O)Oc2ccccc2C=C2Oc3ccc(Br)cc3C2=O)cc1 2296542809 VANFNKDQUAZNRP-UHFFFAOYSA-N 435.273 5.593 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)C(=C(O)c4ccccc4)[C@@H]3c3cccs3)sc2c1 2296776280 AJLACHGHSQMVBT-FQEVSTJZSA-N 446.553 5.547 30 10 IKEE C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=NN=Cc3ccc([N+](=O)[O-])s3)CC[C@@H]12 2297476611 BKFIBDWKIPCPQA-CCXUQAHUSA-N 441.597 5.755 30 10 IKEE COc1cc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CC2)ccc1O 2320909292 MGBJYZLIJFCESD-UHFFFAOYSA-N 449.363 5.351 30 10 IKEE CCCCC1CCC(c2nnc(S)n2N=Cc2ccc(OC(C)C)c(OC)c2)CC1 2322106769 NRCHPHPMHTYNMY-UHFFFAOYSA-N 430.618 5.709 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc4c3CN(Cc3nc5ccccc5[nH]3)CO4)C2=O)cc1 2322192766 LLZHRIXPFIUFIO-UHFFFAOYSA-N 437.499 5.094 30 10 IKEE COC(=O)c1ccc(COc2c(C=CC(=O)c3ccc4ccccc4c3)cccc2OC)o1 2322328337 FIZDGDVHFWOBSB-UHFFFAOYSA-N 442.467 5.703 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2c(C)cccc2C)cc1 2322455980 LHDIMIHRSINSEG-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Cl)cc(OC)c1OCc1cc(C)ccc1C 2322481681 MSQJKLKSHQYGPM-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE C=CCOc1c(C=CC(=O)c2ccc(OCCC)cc2)cc(Br)cc1OC 2322612772 XJENPNDHXKLATP-UHFFFAOYSA-N 431.326 5.707 30 10 IKEE COc1cccc(C=CC(=O)c2cc(C)ccc2C)c1OCC(=O)Nc1ccc(C)c(C)c1 2322624124 UXQVARJVCISEOU-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE Cc1cc(OC(=O)c2cc3cc(Cl)ccc3o2)cc2c1C(=O)C(=Cc1ccc(F)cc1)O2 2322845655 XDIXKLNKNADKFK-UHFFFAOYSA-N 448.833 6.369 30 10 IKEE Cc1c(OC(=O)C=Cc2ccc(F)cc2)ccc2c1OC(=CC=Cc1ccccc1)C2=O 2323046759 UGIXYVHNXQWNOZ-UHFFFAOYSA-N 426.443 5.925 30 10 IKEE Cc1c(OC(=O)CCc2ccc(Cl)cc2)ccc2c1OC(=Cc1cccc(F)c1)C2=O 2323106145 XIGLRRJMEMUOKN-UHFFFAOYSA-N 436.866 5.942 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OCC(=O)NCc1ccccc1 2323302124 PKPFARKDOAPLMG-UHFFFAOYSA-N 443.543 5.212 30 10 IKEE Cc1cc(OC(=O)CC2CCCCC2)cc2c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O2 2323486106 LGDNLCJBTKAROA-UHFFFAOYSA-N 445.342 6.794 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(OC)c(OCC)c(OC)c2)cc1OCCC 2323744587 QJUHVZLJSXLVLU-UHFFFAOYSA-N 428.525 5.576 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2OC)C3=O)cc1 2323791030 DYRBGLKURZAMSC-UHFFFAOYSA-N 430.456 5.238 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc3c(c2C)OC(=CC=Cc2ccccc2)C3=O)c1 2323802817 RDXUACQYIRSMCH-UHFFFAOYSA-N 426.468 5.785 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)c1C 2324339098 DJZAXGAQMYDIHI-UHFFFAOYSA-N 439.382 7.702 30 10 IKEE CCOc1cccc(C=Nn2c(COc3cc(C)c(Cl)c(C)c3)nnc2SC)c1 2326112480 SEFLUQMUVAGRNT-UHFFFAOYSA-N 430.961 5.130 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(OC(C)(C)C)cc1 2326272382 DQORSSYSFNGPKI-UHFFFAOYSA-N 426.561 5.722 30 10 IKEE CCOc1ccccc1OCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccco1 2326797794 GLQJHQAVLIDMAE-UHFFFAOYSA-N 448.548 5.332 30 10 IKEE CCCCC1CCC(c2nnc(SCC)n2N=Cc2cc(OC)c(O)c(OC)c2)CC1 2328145364 XTQANWMVHWCYRK-UHFFFAOYSA-N 446.617 5.459 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccccc3)n2N=Cc2cccn2C)CC1 2328158125 FEAZDUUKUKUIJB-UHFFFAOYSA-N 435.641 6.255 30 10 IKEE CCCSc1nnc(COc2ccc(OC)cc2)n1N=Cc1ccc(C(C)(C)C)cc1 2328403800 YVCTZBBQRGCVEW-UHFFFAOYSA-N 438.597 5.548 30 10 IKEE Cc1ccc(CSc2nnc(COc3c(C)cccc3C)n2N=Cc2ccco2)cc1 2328545619 MHQPGXRQCSKNEL-UHFFFAOYSA-N 432.549 5.550 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3cccc(C)c3)n2N=Cc2cccn2C)cc1 2328564400 GIZCMYXPYGWOCY-UHFFFAOYSA-N 445.592 5.089 30 10 IKEE CCSc1nnc(CC2CCCCC2)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2330258196 KVVHBODVAHYBQG-UHFFFAOYSA-N 448.592 5.614 30 10 IKEE CCCCCCNC(=S)NN=Cc1c(C(C)C)nc2c(Cl)cc(C(F)(F)F)cn12 2330458045 MRRVKOPAUMNGEY-UHFFFAOYSA-N 447.958 5.508 30 10 IKEE Fc1ccccc1C=Nn1c(SCc2ccccc2Cl)nnc1-c1cccs1 2330584140 IUYQDLQVRGAFFO-UHFFFAOYSA-N 428.945 5.974 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(CC)cc3)cc2Cl)cc1 2330743774 OYCUKWNMHJXMJD-UHFFFAOYSA-N 434.919 6.416 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2Cl)c1 2331021335 MUZLKVLPDVQFFB-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C2CCCC2)cc1 2331048953 PLUOYIKQNCOHCX-UHFFFAOYSA-N 437.525 5.027 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)c1cnccn1 2331150152 UQQAVQCNDGCUNC-UHFFFAOYSA-N 443.286 5.297 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2c(F)cccc2Cl)nnc1C(F)(F)F 2331163141 AOXOYYHRCUNGOK-UHFFFAOYSA-N 428.842 5.572 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)c(Cl)c3)cc2)c1 2331238678 LCILQHBTGZFEEO-UHFFFAOYSA-N 439.338 6.654 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)c3ccccn3)c(Br)c2)ccc1F 2331337959 MWKQHYMKNBTNNV-UHFFFAOYSA-N 440.268 5.407 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)[C@H](C)c1ccccc1 2331345429 JFDRHDOVPVQPAX-LJQANCHMSA-N 432.491 6.138 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1ccc(F)cc1F 2331571314 QDYQURZAMFVABX-UHFFFAOYSA-N 430.353 5.367 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1OC(=O)[C@@H]1CCCO1 2331640613 GTFAMZAGDIPQHF-NRFANRHFSA-N 442.939 5.563 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OCC)cc2OCC)cc(OC)c1OC(=O)CC 2331739022 MDDSDYJNAWUBTG-UHFFFAOYSA-N 438.520 5.433 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OC(=O)COc2ccccc2)cc1 2331741543 WXUXYJKOZHGOFQ-UHFFFAOYSA-N 436.891 5.538 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3cc(Cl)ccc3OC)cc2)c1 2331875060 CJDXGZSIPXOZLQ-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE CC(C)=C(CN1CCCCN(Cc2ccccc2)CC(F)(F)C1)B1OC(C)(C)C(C)(C)O1 2340332377 WQLYGKVNUUDNQT-UHFFFAOYSA-N 448.407 5.188 30 10 IKEE C=CCCCCCCCOCc1cc(I)ccc1Br 2341766272 AQVGCXXMDGHNEN-UHFFFAOYSA-N 437.159 6.097 30 10 IKEE C=CC[C@@H]1CCCC[C@H]1NCc1ccc(I)c(Br)c1 2349855212 MCAAWBBSBFYDGK-CZUORRHYSA-N 434.159 5.278 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2O)cc1 21220738 XQARIYLCGPVYMY-VKGTZQKMSA-N 440.543 6.161 30 10 IKEE CCOc1c(OC)cccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccccc1)C2 21225754 VUOSLJZHEYGZCE-XHCCPWGMSA-N 440.543 6.073 30 10 IKEE CC(C)Oc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(Cl)c2Cl)cc1 21237002 VUTIQZFRWNJFIV-CRAIPNDOSA-N 444.358 5.785 30 10 IKEE Cc1cc(O)c(CN(C)Cc2ccccc2)c2c1C(=O)/C(=C\c1cc3ccccc3o1)O2 37857916 VIUPTGSGSRJIOU-ZVHZXABRSA-N 425.484 5.695 30 10 IKEE Cc1c(C(=O)c2oc3ccc(Cl)cc3c2C)c(O)n([C@@H](C)c2ccccc2)c(=O)c1C#N 38623462 QYLCRNIHQXVFDM-HNNXBMFYSA-N 446.890 5.282 30 10 IKEE C=CCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2[C@@H]1c1cccc(OCCC(C)C)c1 39910817 PNHPRVJLGHFEAV-QHCPKHFHSA-N 431.532 5.566 30 10 IKEE C=CCc1ccccc1OCCCCn1c(CCCNC(=O)C(C)C)nc2ccccc21 40204210 QDMYQGCTSDEBBJ-UHFFFAOYSA-N 433.596 5.329 30 10 IKEE COc1ccccc1CN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccccc1C)C3=O 41647856 SDZPHORPRQGQCY-CFRMEGHHSA-N 427.500 5.280 30 10 IKEE C=CCn1c(CNc2ccc(C)cc2)nnc1SCCC(=O)Nc1cccc(Cl)c1 59265697 NMRBSTDIBDWTTO-UHFFFAOYSA-N 441.988 5.159 30 10 IKEE COc1ccc(C(=O)[C@@H]2[C@H](c3ccsc3)C(C#N)(C#N)[C@H]3c4ccccc4C=CN23)cc1 96592687 APCLDDMGYLAZJK-SONWIMMPSA-N 437.524 5.167 30 10 IKEE COc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2nc(SCc3ccccc3)nn21 97964553 SLKIPFXXLBNJEZ-JOCHJYFZSA-N 446.576 5.237 30 10 IKEE CCCCCCCCCCCCCCCCNCC(=O)Nc1ccc(F)c(Cl)c1 100055622 ZZAGWOGCNGRORB-UHFFFAOYSA-N 427.048 7.489 30 10 IKEE CCCCCCCCCCCCCCCCNCC(=O)Nc1cccc(C(F)(F)F)c1 100055903 INJWIGZQDDTIBA-UHFFFAOYSA-N 442.610 7.715 30 10 IKEE CCCCCCCCCCCCCCCCNC(=S)NC(=O)CCC(=O)OCCC 100111701 VIHYMEQHOJGPKL-UHFFFAOYSA-N 442.710 6.192 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(N[C@H](C)CC)c1[N+](=O)[O-] 101479463 PANYDLABQLIMQC-OAQYLSRUSA-N 435.657 7.488 30 10 IKEE C=CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N/c1cccc2ncccc12 101645220 XHBNXJZTCBXPRU-CCSRSWJSSA-N 430.558 5.395 30 10 IKEE CN(CCCc1cc(-c2ccccc2)no1)C(=O)/C=C/c1cn(CCC#N)c2ccccc12 110036290 GILAITGMGZAJRQ-CCEZHUSRSA-N 438.531 5.314 30 10 IKEE Cc1nc(-c2cccc(Br)c2)ccc1C(=O)N[C@H](C#N)c1ccc(F)cc1F 111219622 LPNPZNCFYUEAEJ-HXUWFJFHSA-N 442.263 5.092 30 10 IKEE CCOC(=O)c1c(N/C=C2/C=CC=CC2=O)sc(C)c1-c1ccc2cc(OC)ccc2c1 136001140 JKZSMLKEBAYDBV-HKWRFOASSA-N 445.540 6.053 30 10 IKEE CCn1c(N/C=C2/C(=O)C(C(C)(C)C)=Cc3oc4c(c32)CCCC4)nc2cc(C)c(C)cc21 136007344 XOMVUBWUKFUEDX-XDJHFCHBSA-N 443.591 6.610 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@@H](c2ccccc2OCc2ccc(C)cc2)NC(=S)N1 169937839 UWPRVNOQYGDNNX-XMMPIXPASA-N 428.557 5.250 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1c1ccccc1C 169945983 UVSXEFKLZBARIM-DEOSSOPVSA-N 438.483 5.268 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2cccc(C)c2)cc1 169968793 JCJLRYISLGPTKE-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1cccs1)c1ccc2c(c1)CCO2 169985939 LGMQIEJTDDBYGE-FQEVSTJZSA-N 437.904 5.119 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccccn1 169993854 QDPBHYQDHFQASD-JOCHJYFZSA-N 443.890 5.308 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2Cc2ccco2)cc1 170031238 RNWQDEDVNZQGLA-HSZRJFAPSA-N 431.488 5.074 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)ccc4[nH]3)[C@H]2c2ccccc2)c1 170055974 LWHCNTPCYMVION-QHCPKHFHSA-N 437.499 5.271 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2ccc(F)cc2)cc1C 170062599 FRNNODHTZSVRIC-DEOSSOPVSA-N 443.474 5.160 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCCC2)cc1 170114741 HUUPTOSIHODDBM-NRFANRHFSA-N 425.912 5.260 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@H]1c1cccc(OC)c1 170120323 ZLSYFFBTNNCAIR-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccc(C)c2)c(C)c1 170138975 XUCRTTHVQLGOAN-QFIPXVFZSA-N 433.529 5.152 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2cccs2)c1 170158552 PGDNVZTYGWCWPB-HSZRJFAPSA-N 445.540 5.473 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2)c1 170223495 ZDNYXVWLTBDUEH-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccccc1 170227413 MCCARWOAJNCNAF-VWLOTQADSA-N 439.511 5.357 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2)cc1C(C)C 170231346 ADIPTNRYRUJWSY-RUZDIDTESA-N 447.575 6.120 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1ccc(C(C)C)cc1 170245755 JEXAHSKYGJUTAE-DEOSSOPVSA-N 435.564 5.896 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2C)cc1C 170270043 TVPVVKOUZMCEII-QHCPKHFHSA-N 447.556 5.460 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccccc2C)ccc1Cl 170271689 WMHGQALVZPEXIC-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1ccco1 170284434 XPQZPONSPVWNTM-PEBXRYMYSA-N 449.890 5.348 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccc(C)o2)c1 170301988 QHHGKHAQZLMELP-DEOSSOPVSA-N 445.515 5.775 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1Cc1ccccn1 170316555 UXMORYHAXFNRIW-QFIPXVFZSA-N 444.556 5.109 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(O)c(Cl)c2)c1 170366787 QDOZMZPUDJZTFC-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(C(C)C)cc2)cc1 170422293 FHOWYOJRUBZEJF-HSZRJFAPSA-N 447.556 5.659 30 10 IKEE CCOc1cc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cccc(C)c2C)ccc1OC 170440441 YUOMTJVTTDHCJV-QFIPXVFZSA-N 437.536 5.226 30 10 IKEE CCCCCCC[C@H](C(=O)O)N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 226801107 FSIDXIXDGBQUKD-RUZDIDTESA-N 435.564 6.214 30 10 IKEE CCCCN1C(=O)/C(=C2\Sc3ccccc3N2C)SC1=Nc1cccc(C(C)=O)c1 254381510 RVJTWKGUORAROP-QLMUGPIMSA-N 437.590 5.663 30 10 IKEE C=C([C@@H](NCCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C)C(F)(F)F 406711947 PHFHCUSEPJQDAW-OAHLLOKOSA-N 437.300 5.955 30 10 IKEE CC(C)COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccs2)cc1 526515302 HSUQSVHGBMRSPN-HSZRJFAPSA-N 430.529 5.712 30 10 IKEE CCCc1nnc(SCc2ccccc2)n1/N=C\c1ccccc1COc1ccccc1 526799427 JALDOWWCGRSTAQ-IMRQLAEWSA-N 442.588 5.984 30 10 IKEE CCCCCOc1ccc(/C=N\n2c(C)nnc2SCc2ccccc2Cl)cc1 526816498 GTIFKGFVLGPKND-IWIPYMOSSA-N 428.989 5.983 30 10 IKEE CCOc1c(/C=N\n2c(CC)nnc2SCc2cccc3ccccc23)cccc1OC 526821217 HBVYZEUEWIBRCZ-QQXSKIMKSA-N 446.576 5.576 30 10 IKEE CCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1ccc(OC(C)C)c(Cl)c1 526822725 LPLJYDYSOBNRCJ-MXAYSNPKSA-N 439.972 5.327 30 10 IKEE CCOc1ccc(-c2cn3c(CC(=O)Nc4cc(Cl)ccc4C#N)csc3n2)cc1 585167365 XXBUOFRDTLULSX-UHFFFAOYSA-N 436.924 5.168 30 10 IKEE C=CCCN(c1cccc(C(=O)OC)c1)S(=O)(=O)c1ccc(CCCCCC)cc1 586235805 GIPLXYADLXCHFZ-UHFFFAOYSA-N 429.582 5.367 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@](C)(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 698437764 LXLIHAMNCRJSRU-NLFFAJNJSA-N 443.588 5.496 30 10 IKEE Cc1cc(Cl)ccc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 698453829 HKNFELGBYYDSAU-GOSISDBHSA-N 435.749 6.417 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@](C)(C#N)c1ccc(Br)cc1F 698872262 XNNMKTSYBAQPQM-HXUWFJFHSA-N 437.284 5.908 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]([C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 698885593 RDCITGJZWPNARS-WAIKUNEKSA-N 433.524 5.106 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@H](C)CN(C(=O)OC(C)(C)C)C2)cc1 698892341 NHPAMLABUWOMQH-MHECFPHRSA-N 429.561 5.276 30 10 IKEE C=CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(Br)cc(Br)c1 698965715 QNYJRAMZICOJCG-CQSZACIVSA-N 430.140 5.199 30 10 IKEE CC(=NN1C(=O)CN(Cc2ccccc2)[C@H]1c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 1084136368 MGVKBQZTXZRMGX-XMMPIXPASA-N 448.910 5.015 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)CCSc2n[nH]c(NN=Cc3ccccc3F)n2)cc1 1084507479 DOORRTCENOJOPH-OAHLLOKOSA-N 440.548 5.024 30 10 IKEE Cc1ccc(C=Nc2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@H]3c2ccccc2)cc1 1084627570 PTPQCPAIVCLWCS-VMPREFPWSA-N 442.606 7.623 30 10 IKEE C=CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=Nc1ccncc1Cl 1772734466 DQPZDDKIHHDHLM-WZBMNHFVSA-N 434.746 5.288 30 10 IKEE Cc1cccc(N=C2S[C@H](CC(=O)c3cc(C)ccc3C)C(=O)N2c2cccc(C)c2)c1 1772759883 CYQUEOUDRYNYSY-RUZDIDTESA-N 442.584 6.329 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(C(=O)OCCC)cc2)c(=O)cc1C(=O)O 1857891106 MTMWMKDIBLXGPP-UHFFFAOYSA-N 443.540 5.053 30 10 IKEE CCCCCCCCCCN1C(=O)/C(=C\c2ccccc2Br)SC1=S 1858586883 WVWAJJPRTLWUME-OBGWFSINSA-N 440.472 6.791 30 10 IKEE COc1ccc(NC(=O)Oc2cccc3c(NC(=O)c4cccc(C#N)c4)cccc23)cc1 1858780211 PJNWVYOHIQIXLU-UHFFFAOYSA-N 437.455 5.583 30 10 IKEE O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 1860727218 GTFWVXNBZQXLSN-QHHAFSJGSA-N 433.169 5.141 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)c(Cl)c1 1861054403 FOTTUUWJCRTNDQ-OAQYLSRUSA-N 443.459 6.395 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1OCCC 1861361319 KLLKDJABLIGKGO-DEOSSOPVSA-N 438.612 5.293 30 10 IKEE CCCCCCCCNC(=O)[C@@H](NC(=O)c1ccc2nc(CCC)[nH]c2c1)c1ccccc1 1861453961 OMROMHKPLNPXCG-VWLOTQADSA-N 448.611 5.463 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862394162 CKCFCAUDZMNGHH-UQBPGWFLSA-N 433.592 6.529 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2ccccc2C(=O)O)cc1 1862394228 DJMJZXGHPKESJT-OPAMFIHVSA-N 435.520 5.104 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 1862396641 JUIXOYNIKVBBEG-XMMPIXPASA-N 431.576 6.067 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CC)cc1 1862423226 XQIUTJSCSGRKAP-NRFANRHFSA-N 429.463 5.132 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2cc(C)ccc2C)cc1 1862429768 USWXKGIQLZJECA-DEOSSOPVSA-N 445.946 6.044 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862453096 RNXMAAYUDUIIJE-VOJFVSQTSA-N 449.290 5.278 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccccc1 1862456204 MSYHJHRPOXEXFP-PEBXRYMYSA-N 437.417 5.443 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2ccc(F)cc2)c1 1862490048 MQAVZXLHGXEDKN-RUZDIDTESA-N 443.518 5.654 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccc(F)cc2F)c1 1862490971 IXAHBVMBDXIRTE-XMMPIXPASA-N 447.481 5.669 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCC(C)C)cc1 1862495044 JUZUWBRIIKLVHG-DEOSSOPVSA-N 435.564 5.717 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccc(O)c(O)c2)cc1 1862535810 KUNUXKHTQYWJPJ-DEOSSOPVSA-N 447.531 5.129 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1cccc(OCCC)c1 1862537020 MPNNZOAARMXWCC-RUZDIDTESA-N 449.591 6.196 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(CC)cc1 1862548310 OTOHLZPXQBHGOM-RUZDIDTESA-N 447.575 5.133 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(C(=O)O)cc1 1862583113 SXKVEBHGFSCGSC-ZMZPIMSZSA-N 448.302 5.068 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1ccc2cc[nH]c2c1)c1ccc(Cl)c(Cl)c1 1862584380 XJPJHBWXUVFJFS-IBGZPJMESA-N 427.287 5.215 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862591161 UFVUHSNOYDGXMD-XMMPIXPASA-N 427.500 5.042 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2cccc3ccccc23)cc1 1862592950 ANNYYQBHRAFQMD-SANMLTNESA-N 449.506 5.632 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(C(C)(C)C)cc2)=C(O)C(=O)N1CCCOC(C)C 1862613430 HZJKHNAZFHAFSD-DEOSSOPVSA-N 449.591 5.686 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(C(C)(C)C)cc2)=C(O)C(=O)N1Cc1ccco1 1862613688 NENLGACKRHLPOO-HSZRJFAPSA-N 429.516 5.664 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(Cl)cc1Cl 1862658165 NFBIIHLIXTWXIX-OAQYLSRUSA-N 440.326 6.135 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2c(Cl)cccc2Cl)cc1 1862667842 LDXBUHWGHAGVJX-RBZFPXEDSA-N 448.346 5.076 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc(OCCC)c1 1862682972 UPUIRBMRSPJIHY-QHCPKHFHSA-N 439.527 5.773 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 1862683757 TWKRNEMGGHRXNX-IBGZPJMESA-N 445.368 5.216 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(C)cc1 1862687891 QZUAZYBPVKBVMN-URXFXBBRSA-N 435.564 5.941 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)c(F)c2F)=C(c2ccc(F)cc2)C1=O 1863152932 JKABIHGAOAMZMP-UHFFFAOYSA-N 448.460 5.796 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc3c[nH]nc3c2)=C(c2ccc(C)c(C)c2)C1=O 1863247670 IIXLPGSNRVSLGK-UHFFFAOYSA-N 444.579 5.732 30 10 IKEE Cc1cc(C2=C(Nc3ccccc3C#N)C(=O)N(CCC3=CCCCC3)C2=O)ccc1F 1863469770 XZEZZGSAGUFCAE-UHFFFAOYSA-N 429.495 5.088 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccccc2Cl)=C(c2ccccc2F)C1=O 1863648346 YENNXGTWFOFSBY-UHFFFAOYSA-N 442.962 5.709 30 10 IKEE CCCCCCCCCCNC1=C(c2cccs2)C(=O)N(Cc2cccs2)C1=O 1863799910 VOMPVJMZCHHNCR-UHFFFAOYSA-N 430.639 5.820 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2cccnc2)=C(c2cccs2)C1=O 1863808476 NUGOMZSJNBSBFN-UHFFFAOYSA-N 425.598 5.154 30 10 IKEE CCCCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2C)[C@H]1c1sccc1C 1864496082 STUUBAXIIFLMIR-LJQANCHMSA-N 444.645 5.050 30 10 IKEE CC(C)COc1ccc(C(=O)Nc2c(C#N)nnn2-c2cc(C(C)C)cc(C(C)C)c2)cc1 1870153715 CJMAOWOXVAASTG-UHFFFAOYSA-N 445.567 5.673 30 10 IKEE CCCCCCCCC(=O)Nc1c(C#N)nnn1-c1cccc(OCc2ccccc2)c1 1870159217 BQBOOANNJQRIRY-UHFFFAOYSA-N 431.540 5.407 30 10 IKEE Cc1nc(SCc2cc(=O)c(OCC(C)C)cn2Cc2ccco2)c(C#N)c(C)c1C 1870259558 YTSBPUFDHLXMAG-UHFFFAOYSA-N 437.565 5.009 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccccc2Cl)cn1Cc1cccc(C)c1 1870340359 FCFJDTNFMSXZOT-UHFFFAOYSA-N 448.994 5.611 30 10 IKEE CCCCCCCOc1cn(Cc2cccc(C)c2)c(CN2C[C@@H](C)O[C@H](C)C2)cc1=O 1870412687 GMIPGYOQHREBMD-DHIUTWEWSA-N 440.628 5.163 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)NCC)c(=O)cc1CN(CC)CCCC 1870532057 QDGRZOOGMIHJPT-UHFFFAOYSA-N 449.680 5.126 30 10 IKEE C=CCOc1cn(CCCCc2ccccc2)c(CNc2ccc(C)c(Cl)c2)cc1=O 1870809557 JEJBCNARHMXDBT-UHFFFAOYSA-N 436.983 6.010 30 10 IKEE C=CCOc1cn(CCCOCC)c(CNc2ccc(OCCCCCC)cc2)cc1=O 1870809894 ASZNFFPXNZZPTG-UHFFFAOYSA-N 442.600 5.411 30 10 IKEE CCCCCCCOc1cn(CCc2ccccc2)c(CNc2ccc(F)cc2)cc1=O 1870830200 HPXGXPKGKSCVSK-UHFFFAOYSA-N 436.571 6.191 30 10 IKEE CCCCCCCCCCn1cc(OCCCO)c(=O)cc1CNc1ccc(C)c(F)c1 1871265089 JIMBBNUQJKSRIS-UHFFFAOYSA-N 446.607 5.810 30 10 IKEE Cc1ccc(C)c(CN2COc3cc(C)c4c(c3C2)O/C(=C\c2sccc2C)C4=O)c1 1871349643 UWBJAYQLHQHUSV-JJFYIABZSA-N 431.557 5.950 30 10 IKEE CCc1ccc([C@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2ccc(C)cc2)C4=O)cc1 1871353951 BYHKLNVHZNCLRM-PKFJFBDISA-N 425.528 6.087 30 10 IKEE CCc1ccc([C@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2ccccc2C)C4=O)cc1 1871354181 JHCQIBLRSLGMBL-PKFJFBDISA-N 425.528 6.087 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc(C)cc4)cc(C)c3C2=O)cc1 1871366828 OCWPBUPEQCUQAQ-ZLWWARENSA-N 426.468 5.547 30 10 IKEE Cc1c(C(=O)Oc2ccc3c(c2C)O/C(=C\C=C\c2ccccc2)C3=O)cccc1[N+](=O)[O-] 1871373964 XYOCBGNOQNRJNE-QFHNRLETSA-N 441.439 5.603 30 10 IKEE Cc1c(OC(=O)/C=C/c2ccc(Cl)cc2)ccc2c1O/C(=C\C=C\c1ccccc1)C2=O 1871374827 DZBAZWCXVGUBKU-FGPSWBBPSA-N 442.898 6.440 30 10 IKEE O=C(Cc1cc(Cl)ccc1Cl)Oc1ccc2c(c1)O/C(=C\c1ccccn1)C2=O 1871376505 OIGKOWXBEQINOH-JAIQZWGSSA-N 426.255 5.153 30 10 IKEE COc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccccc1F)C2=O 1871412604 WPLFJLZREUETIN-ZGWJWYQGSA-N 447.462 5.165 30 10 IKEE CC(=O)Nc1ccc(C(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1 1871432552 KTFOZKHYRBYMDL-MXAYSNPKSA-N 441.483 5.140 30 10 IKEE Cc1c(OCCC(=O)Nc2ccccc2)ccc2c1O/C(=C\c1ccc(Cl)cc1)C2=O 1871447004 MHDNWBAFRHCYHM-JCMHNJIXSA-N 433.891 5.672 30 10 IKEE CCc1ccccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O 1871458177 DFNWWTNQIJOVBS-QRVIBDJDSA-N 447.918 5.845 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2sccc2C)C3=O)cc1C 1871460183 ZGQQSLMCTGLAOI-MTJSOVHGSA-N 433.529 5.615 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)CCCC 1871801664 LXULCYBYMNCERY-FQEVSTJZSA-N 429.026 5.154 30 10 IKEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)CCCC 1871845299 XHFDZIQNTDQMEL-QHCPKHFHSA-N 444.597 5.204 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1CC)[C@@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872494612 LUTPQAKCKGSYKQ-FDDCHVKYSA-N 446.588 5.008 30 10 IKEE CCCc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 1872760550 RDFCJTABQHQLCS-QHCPKHFHSA-N 426.541 6.171 30 10 IKEE N#C[C@@H](C(=O)Cc1cccc2ccccc12)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872762550 PXCSNZSKHBAEQT-IBGZPJMESA-N 437.351 6.689 30 10 IKEE COc1ccccc1-c1csc([C@@H](C#N)C(=O)CCCOc2ccc(Cl)cc2)n1 1872766648 IWWOOBVFXKKRMV-SFHVURJKSA-N 426.925 5.508 30 10 IKEE N#C[C@H](C(=O)Cc1ccc(Br)cc1)c1nc(-c2cccc(Cl)c2)cs1 1872767091 NZSWARZYCUPAHU-MRXNPFEDSA-N 431.742 5.645 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccc(Cl)cc3)n2)c1C 1872781303 RWFPHWLQQBQVDY-XLIONFOSSA-N 438.980 6.341 30 10 IKEE C=CCc1ccccc1OCc1cccc(C(=O)Nc2ccc(C(=O)O[C@@H](C)CC)cc2)c1 1872834545 ZKABQGDICVWKNP-FQEVSTJZSA-N 443.543 6.202 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2)=C(c2cc(F)c(F)cc2F)C1=O 1873242220 UWBFFSQONNJNNB-UHFFFAOYSA-N 430.470 5.656 30 10 IKEE C=C(C)COc1ccc2c(C)c(CCC(=O)N[C@H](C)c3ccc(CC)cc3)c(=O)oc2c1 1873915181 LMULNFPWPXXOFU-LJQANCHMSA-N 433.548 5.429 30 10 IKEE CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccccc1OC 1874217180 ZEIYKYFZGZOWSW-FSJBWODESA-N 430.961 5.130 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1ccc(N(C)C)cc1 1874223921 KHKXBKAGDALPPS-LGUFXXKBSA-N 449.624 5.078 30 10 IKEE CCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1cccc(OC)c1OC 1874231852 FBBUHVYYAWJMMM-YZSQISJMSA-N 446.576 5.228 30 10 IKEE C=C(C)CSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1ccc(F)cc1F 1874288250 VOEAUZXCWNXAKS-VULFUBBASA-N 432.584 6.571 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(Cl)cc3)n2/N=C/c2ccccn2)c1 1874336268 IKNIYDWAGUMRDV-CVKSISIWSA-N 433.968 5.400 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3F)n2/N=C/c2ccc(C)cc2)cc1 1874349605 UZMHVQLKNCUVMB-JVWAILMASA-N 446.551 5.500 30 10 IKEE COc1ccc(/C=N/n2c(Cc3ccc(C)cc3)nnc2SCc2ccccc2)cc1 1874388982 FRFVIFVPTNAFNN-YZSQISJMSA-N 428.561 5.360 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2ccccc2)n1/N=C/c1ccc(F)cc1F 1874396443 IZUCJGPBMAFHBA-LQKURTRISA-N 448.542 5.824 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2c[nH]c3ccccc23)c1 1874416005 SMWWKRZLGWRAHU-OGLMXYFKSA-N 437.572 5.833 30 10 IKEE CC(C)(C)Cc1nnc(SCCc2ccccc2)n1/N=C/c1cccc2ccccc12 1874439772 RJMQNHNDGKUMLR-ZXVVBBHZSA-N 428.605 6.237 30 10 IKEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3cccc(C)c3)nnc2C2CCCC2)c1 1874452554 BCRWQLORYTYEOE-MFKUBSTISA-N 433.581 5.166 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2-c2ccco2)cc1 1874463828 DJDUPERPHDHFMC-YZSQISJMSA-N 446.576 6.200 30 10 IKEE COCCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1cccc2ccccc12 1874472404 CYSCAZVXAHNTJS-WGOQTCKBSA-N 430.577 5.412 30 10 IKEE CCSc1nnc(CC(C)C)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874487570 DPHCPHXTTQVJJF-ZVHZXABRSA-N 428.989 5.703 30 10 IKEE CC(C)c1nnc(SCCc2ccccc2)n1/N=C/c1cc(Br)ccc1O 1874514280 QLQJKUJPQBGFME-LPYMAVHISA-N 445.386 5.087 30 10 IKEE CCc1ccc(/C=N/n2c(CCCOc3ccc(Cl)cc3Cl)nnc2SC)cc1 1874540405 NWJYWDJMEGLIJM-ZVHZXABRSA-N 449.407 5.763 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccccc2Cl)c1OCc1ccc(Cl)c(Cl)c1 1874574967 NRHANWAHSBYSID-ZRDIBKRKSA-N 447.745 7.131 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccccc1OCC(=O)Nc1cc(C)ccc1C 1874581294 GFVOQIFBLKWABC-OUKQBFOZSA-N 429.516 5.534 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2cc(C)ccc2C)c(OC)c1 1874587982 OGEXUNICXWWSTP-SDNWHVSQSA-N 445.515 5.234 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1OCc1ccccc1F 1874593525 NOGMNYNBMXLJAY-WUXMJOGZSA-N 441.296 6.072 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OCc1cccc2ccccc12 1874595415 JZDYGOPIOOGIDE-OQLLNIDSSA-N 428.915 6.977 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2cccc(OCc3ccccc3F)c2)cc1Cl 1874598917 MAMRIPHREDYWCV-ZHACJKMWSA-N 426.871 5.971 30 10 IKEE Cc1ccc(COc2ccc(/C=C/C(=O)c3ccc(-c4ccccc4)cc3)cc2Cl)cc1 1874601248 ARDZCHRNKWDFGW-GZTJUZNOSA-N 438.954 7.791 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc(Cl)c2)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 1874601896 JAIYADRDEAPGIG-VQHVLOKHSA-N 438.823 5.632 30 10 IKEE COc1cc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c(OC)cc1Cl 1874630080 JRDOJHVMENWKSX-KPKJPENVSA-N 443.326 6.486 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c(OC)c1 1874632403 VQAWFXSVPJNCHG-WUXMJOGZSA-N 438.907 5.841 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(OC)c1OCC(=O)OCCC 1874635276 LEIMSCSDYXARAZ-ZHACJKMWSA-N 436.548 5.577 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 1874704569 VMRRJANLDZMWII-CSKARUKUSA-N 447.443 5.036 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(F)cc3F)c2)cc1Cl 1874716981 SNDZZILRQIJHBT-WEVVVXLNSA-N 428.818 5.742 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2[N+](=O)[O-])cc1C 1875088200 QBHRHVNBVFWEAC-JXMROGBWSA-N 446.415 5.235 30 10 IKEE O=C(Cc1ccccc1Cl)Oc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1 1875094850 LOUSJTACOBGDJP-LFIBNONCSA-N 426.899 6.537 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(Br)c1OC(C)=O 1875095549 VRYCMNUEMRLPHX-JXMROGBWSA-N 425.278 5.432 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC(=O)C(C)(C)C 1875117203 DQKDZWAQTMNSJY-IZZDOVSWSA-N 431.872 5.495 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(C(F)(F)F)cc2)cc1 1875117402 DFWRSUMGXOPTQJ-OVCLIPMQSA-N 426.390 5.829 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)c1ccccc1 1875122680 HRVFJSNDFSKBIU-KPKJPENVSA-N 427.283 6.117 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(Oc4ccccc4)c3)cc2)cc1 1875132289 OLCZSUABSBYXNU-XMHGGMMESA-N 434.491 6.903 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(N(C)C)cc3)c(Cl)c2)c1 1875139298 BLIIOOHEOHYOPH-NTUHNPAUSA-N 433.935 6.138 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)cc1C(C)C 1875163422 KFSWYVUYFZRKBY-SDNWHVSQSA-N 448.946 6.896 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1OCC 1875168979 CZYMQZBOBAUJOX-VAWYXSNFSA-N 442.983 6.964 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)c1ccccc1F 1875176338 CZOACZLYEVDHED-WYMLVPIESA-N 444.502 6.295 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)Cc1ccc(F)c(C)c1 1875184827 SIRAJZGZKZYJGB-JXMROGBWSA-N 446.518 6.112 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)C(F)(F)F 1875185078 FXKHNIGAERQJBL-DHZHZOJOSA-N 434.454 6.055 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@H]2CCCO2)c(Cl)c1)c1cc(Cl)ccc1Cl 1875189588 WZODPQNLYYZKRJ-SXQCNTSWSA-N 425.695 5.627 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N(C)Cc1ccccc1)n2CC(C)C 1875209717 CVSXCGHIBBDMDP-UHFFFAOYSA-N 449.643 6.132 30 10 IKEE C=C1CC(C[C@@H](NC)[C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1 1875651698 OWDNXVOMDNELMY-UHSQPCAPSA-N 443.587 5.822 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H]1CC[C@@H]2CCCC[C@@H]2N1C(=O)OC(C)(C)C 1922114822 BPDWAEIYZSTBTK-QORCZRPOSA-N 442.644 5.696 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@@]1(C#N)Nc1cccc(Br)c1 1924921535 PYSYJVZUVZGZJT-VFNWGFHPSA-N 434.378 5.228 30 10 IKEE CC[C@H]1C[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)CN1Cc1ccccc1 1937132930 ZXJRHRUTGCAWRD-RDPSFJRHSA-N 425.598 5.432 30 10 IKEE CCCCCCCCCC[C@H](O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 1947469436 KKXGARNBHKJXIQ-DEOSSOPVSA-N 434.665 5.905 30 10 IKEE CC(C)(C)OC(=O)Nc1c(Br)cc(Br)cc1[C@@H]1C[C@]1(C)C=O 1952044456 MKOIWMZGHXCQLS-MEDUHNTESA-N 433.140 5.251 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](C[C@@H](C)COCc2ccccc2)NCCC)C1 2011718606 CMTWFEUGMGJNAN-NFBKMPQASA-N 430.633 5.459 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1(C)C 2013409362 YCXNWEDLMALTPM-GAJHUEQPSA-N 433.524 5.153 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CC1CCC(NC(=O)OC(C)(C)C)CC1)NCCC 2025180930 FTQBAQMRZHOYHZ-FOJYNEPKSA-N 430.633 5.601 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(C)sc(C)c1Br 2027395947 SCXXGLKNVWDHTM-WMLDXEAASA-N 431.440 5.638 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc1 2033849207 WPPOLTZLXKLFPU-NPIYKFRDSA-N 431.580 5.826 30 10 IKEE C=CCn1c2ccccc2n2nc(C)c(C(=O)C=Cc3cc(Cl)c(OC)c(OC)c3)c12 2040488678 WUVIZMHXRPVSSK-UHFFFAOYSA-N 435.911 5.350 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2041703265 XTZYKFSCFQMRMT-XMZFGDCGSA-N 441.572 5.561 30 10 IKEE CN1C(=CC(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)C(C)(C)c2ccccc21 2042440357 KLYJGJVPWCCSDE-UHFFFAOYSA-N 430.533 5.191 30 10 IKEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2045242570 YYFVRARKVJESCH-OSPHWJPCSA-N 447.551 5.497 30 10 IKEE CCN[C@H](CC#CC1CC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071265965 ZAEIECUWPZDEIJ-HHHXNRCGSA-N 425.572 6.299 30 10 IKEE C[C@@H]1CC[C@@](C#N)([C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1 2071353093 DKDYCMJMIFSSKS-KPGYKUMBSA-N 427.544 6.208 30 10 IKEE CC(C)c1nn(Cc2ccc(F)cc2C(F)(F)F)c(Br)c1C(F)(F)F 2079799286 WVROAPMDLJPQLG-UHFFFAOYSA-N 433.165 5.994 30 10 IKEE N#Cc1c(C(F)(F)F)nn([C@H](c2ccc(C(F)(F)F)cc2F)C2CCC2)c1Cl 2079955793 AGRLSKIWQFGWNI-ZDUSSCGKSA-N 425.735 5.974 30 10 IKEE CC[C@H](c1ccc(C2CCC2)cc1)n1nc(C(F)F)c(C#N)c1I 2080001280 GKJNVLMYYYQGFS-OAHLLOKOSA-N 441.263 5.564 30 10 IKEE Cc1ccc(F)c(-c2c(C(F)(F)F)nn(C(F)(F)F)c2I)c1 2080705511 HIJKFVPAXOHKBU-UHFFFAOYSA-N 438.084 5.097 30 10 IKEE C=CCC[C@@H](C)[C@H](NC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2102110467 GMTVKXBJOOPIGI-LZQZEXGQSA-N 425.411 5.075 30 10 IKEE CC1(C)OB(C=C2CCN(Cc3ccc(Br)cc3Cl)CC2)OC1(C)C 2107458579 LYSTZUAXWYBHNA-UHFFFAOYSA-N 426.591 5.256 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(Cl)ccc(Br)c1F 2122141531 BSOJWKGUEGXLPB-RHSMWYFYSA-N 449.792 5.752 30 10 IKEE COc1ccc(C)c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)c1 2145976100 PULXTMRFFCTADF-LJQANCHMSA-N 431.330 5.773 30 10 IKEE CN(Cc1ccc(Br)cc1Cl)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2154466021 SDHMJKCOCRJDAD-UHFFFAOYSA-N 436.586 5.038 30 10 IKEE CCC1(OC)CCC(C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Br)CC1 2161439155 AKQPAFWWERXUBM-UHFFFAOYSA-N 437.378 5.822 30 10 IKEE C=C(c1ccccc1)[C@H](NCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2197137300 MYQXXMKDFDNDTE-HKBQPEDESA-N 449.594 7.209 30 10 IKEE C=CCCCCCCCCC(=O)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2207409064 LJRDVBRUCLFJED-UHFFFAOYSA-N 438.406 7.286 30 10 IKEE C=CC1CC(CO)(N(C(=O)OCC2c3ccccc3-c3ccccc32)c2cccc(C)c2)C1 2211074007 IDFMFVSIGTUDDC-UHFFFAOYSA-N 439.555 6.078 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)CCC12CC2 2214702627 SAFMAXMEZSJGBQ-XMMPIXPASA-N 433.593 5.382 30 10 IKEE CCCN[C@H](C#Cc1ccc(Cl)cc1)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 2216916813 XPRBYNFIENCPSW-XMMPIXPASA-N 441.015 5.887 30 10 IKEE CCCn1nc(Br)cc1C(=O)C=Cc1ccc(NC(=O)OC(C)(C)C)cc1 2232438615 UBTOULODBBUJKZ-UHFFFAOYSA-N 434.334 5.299 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(C)c(Br)c(C)c1 2235612540 POPSDDURXBXXLQ-UYAOXDASSA-N 439.438 5.966 30 10 IKEE CCc1cc(Br)ccc1C(=O)C=Cc1ccc(NC(=O)OC(C)(C)C)cc1 2237602174 IPDQYZICBYRSKJ-UHFFFAOYSA-N 430.342 6.255 30 10 IKEE CCc1ccc(C#CC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2Br)cc1 2239607118 QOQFFNQDPZJCFC-UHFFFAOYSA-N 428.326 5.593 30 10 IKEE C=CCCC1([C@H](O)c2ccc(Br)c(Cl)c2)CN(C(=O)OC(C)(C)C)C1 2254928506 OZXJHJDTINBFKN-MRXNPFEDSA-N 430.770 5.339 30 10 IKEE C=CC[C@]1(COc2ncc(C)cc2Br)CCCN(C(=O)OC(C)(C)C)C1 2272229874 RKJQFDWFYYIARJ-FQEVSTJZSA-N 425.367 5.125 30 10 IKEE Cc1cc(O)cc(C)c1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2282824284 GEJBFKYFTVDEGE-GOSISDBHSA-N 431.330 5.778 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@H](CCC)CNC(=O)OC(C)(C)C 2296284864 VJVRVHOAGSTLJX-UYAOXDASSA-N 437.422 5.110 30 10 IKEE CC=C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C 2296604307 RTCKAOKDXNYXEH-GCNJZUOMSA-N 431.620 5.959 30 10 IKEE CC(C)(C)c1ccc2oc(-c3ccc(N=CC=Cc4ccc([N+](=O)[O-])cc4)cc3)nc2c1 2297203024 OKWZDIYDMBCAMI-UHFFFAOYSA-N 425.488 7.116 30 10 IKEE CCOc1ccc(N=C2SC(=Cc3cc(OC)c(OC)cc3Cl)C(=O)N2CC)cc1 2297462050 XBISUPUJBROKNQ-UHFFFAOYSA-N 446.956 5.380 30 10 IKEE CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)C(=O)C(=Cc4cn(C)nc4C)C[C@H]32)C1 2297556276 DXRJBJUDWMWZPC-CNEJJOPNSA-N 436.596 5.185 30 10 IKEE CCN1C(=O)C(=C2Sc3ccc(OC)cc3N2C)SC1=Nc1ccc(C)cc1C 2297707694 AJHJMYGDAYPFNV-UHFFFAOYSA-N 425.579 5.306 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2302796513 RZZWDAGIERRBIC-GUDVDZBRSA-N 433.524 5.153 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2308984414 KLQLDNPXNFYFJA-DQRNBUCVSA-N 445.535 5.153 30 10 IKEE COc1ccc(Br)cc1C(=O)Nc1ccc(C=CC(=O)c2ccccc2)cc1 2313669861 FXGGQNBOROEAHF-UHFFFAOYSA-N 436.305 5.606 30 10 IKEE N#Cc1c(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)oc(-c2ccccc2)c1-c1ccccc1 2321425718 MJSHQDHHRIWNEQ-UHFFFAOYSA-N 435.439 6.045 30 10 IKEE CCCCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(C(C)(C)C)cc1)C3=O 2322083191 CMWSVQKBJBYGOC-UHFFFAOYSA-N 433.592 6.641 30 10 IKEE CCCCCOc1ccccc1C=Nn1c(S)nnc1COc1ccccc1Cl 2322141804 QXCNWJGRNDMRQE-UHFFFAOYSA-N 430.961 5.250 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1c(F)cccc1Cl)C3=O)CN(Cc1ccncc1)CO2 2322312190 OHECKYUXNFZQFF-UHFFFAOYSA-N 436.870 5.151 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)NC2CCCCC2)cc1 2322359566 CCAKZFFSOCLHOZ-UHFFFAOYSA-N 425.956 5.626 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(C)cc2)c1OCC(=O)Nc1ccccc1C 2322593437 KNPFCHLXAXRHKI-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE COC(=O)c1ccc(C=C2Oc3cc(OC(=O)c4ccccc4Cl)cc(C)c3C2=O)cc1 2322725269 XVLHOPRNPTUKBH-UHFFFAOYSA-N 448.858 5.270 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C(C)C)cc2)c1OCC(=O)Nc1ccccc1F 2322738078 DFDYXRZYGUOBFW-UHFFFAOYSA-N 447.506 5.871 30 10 IKEE CCN(CC)C(=O)COc1ccc2ccccc2c1C=CC(=O)c1c(C)cc(C)cc1C 2322948677 XNDCFHKPIRHKES-UHFFFAOYSA-N 429.560 5.908 30 10 IKEE O=C(C=Cc1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1ccc(-c2ccccc2)cc1 2323044168 DCZKTBWHVGPQAD-UHFFFAOYSA-N 435.479 6.737 30 10 IKEE Cc1c(OC(=O)C=Cc2ccccc2)ccc2c1OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2323745690 CVYDLLUICVRSJM-UHFFFAOYSA-N 438.523 6.528 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)cc(OC)c1OCCc1ccccc1 2324129450 FTIYGQGUGYZQIU-UHFFFAOYSA-N 438.523 6.375 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCCCc4ccccc4)c3C)C2=O)cc1OC 2324268965 JMNOPLWLHHSLMG-UHFFFAOYSA-N 430.500 5.640 30 10 IKEE CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1C)OC(=Cc1ccc(C)o1)C2=O 2324331349 JJGBAYROSGUBCQ-KRWDZBQOSA-N 447.487 5.317 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2cccs2)C3=O)cc1Cl 2324352088 HXDBVHLFIYZOJU-AWEZNQCLSA-N 439.920 5.732 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccc(C)o2)C3=O)c(C)c1 2324494930 BRCAJORDWRWZLK-GOSISDBHSA-N 431.488 5.535 30 10 IKEE COc1ccc(Br)cc1C=C1Oc2cc(OCC(=O)C(C)(C)C)ccc2C1=O 2324918186 WJVPCXQOAGCFTE-UHFFFAOYSA-N 445.309 5.068 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccccc1)C2=O 2325005344 CVGDMNOBKCHFPX-UHFFFAOYSA-N 427.500 5.500 30 10 IKEE CCOC(=O)c1ccc(COc2ccc3c(c2C)OC(=Cc2ccc(C(C)C)cc2)C3=O)o1 2325402417 MEJDJYMWIUYVKS-UHFFFAOYSA-N 446.499 6.083 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccc(Cl)c(Cl)c1 2325512798 VWDRKXBSCWONKW-UHFFFAOYSA-N 433.408 6.410 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1cccs1 2325532659 FJAXYMUHKKCEHH-UHFFFAOYSA-N 425.410 6.164 30 10 IKEE CCc1cccc(CC)c1NC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O 2325718480 HRVADFJYWFZFQW-UHFFFAOYSA-N 445.490 5.584 30 10 IKEE CCc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2Cl)C3=O)cc1 2325722881 XJCGOLKHPSTFPY-UHFFFAOYSA-N 447.918 5.845 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cncc(C)c3)c2)cc1 2325739002 QAKISKHBMDAFRL-UHFFFAOYSA-N 431.488 5.303 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)CCc3ccc(Cl)cc3)c2)cc1F 2325748636 NRHPAHYTTPWMIW-UHFFFAOYSA-N 438.882 5.922 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccccc3[N+](=O)[O-])c2)cc1 2325750595 WKYZKXZWAXFORN-UHFFFAOYSA-N 429.472 5.762 30 10 IKEE COc1ccccc1OCC(=O)Oc1cccc(C=CC(=O)c2c(C)cc(C)cc2C)c1 2325764794 WBWAKPOYZYJWPN-UHFFFAOYSA-N 430.500 5.501 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc3ccccc23)n1N=Cc1cccc(C)c1 2326592303 HPYCLDXIUOKADE-UHFFFAOYSA-N 426.589 6.075 30 10 IKEE CSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1ccc(Cl)cc1Cl 2326959500 ROZXBKNVENKBLO-UHFFFAOYSA-N 435.380 5.509 30 10 IKEE Cc1cccc(OCCCc2nnc(SCc3ccccc3)n2N=Cc2cccnc2)c1 2327007301 FSBWFEOEFKBXTQ-UHFFFAOYSA-N 443.576 5.168 30 10 IKEE CCCc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2ccccn2)cc1 2327365835 KINVGBWTFTUAEQ-UHFFFAOYSA-N 443.576 5.379 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(COc2ccc(Cl)cc2)nnc1SC 2327507141 QWIGTYNATJICJH-UHFFFAOYSA-N 438.940 5.276 30 10 IKEE CCCCCOc1ccc(C=Nn2c(Cc3cccs3)nnc2SC)cc1OCC 2330313530 WXKZEGUATXXSRY-UHFFFAOYSA-N 444.626 5.502 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2-c2ccccc2)cc1 2330625225 LNJKJHDHIXYKSV-UHFFFAOYSA-N 442.588 6.217 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2c(F)cccc2Cl)cc1)c1ccc(Cl)cc1Cl 2330805301 LBOIAZBXWZHMGJ-UHFFFAOYSA-N 449.692 6.901 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)CSc3ccccc3)cc2)cc1 2330825759 BDSGINIIKNSTRF-UHFFFAOYSA-N 430.569 6.623 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1C 2330854861 NERHLNMSMDBZNR-UHFFFAOYSA-N 448.518 6.786 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)cc3)cc2[N+](=O)[O-])c1 2330971316 RRAZSFQBBQNETI-UHFFFAOYSA-N 447.443 5.117 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OC(=O)c1ccc(Cl)cc1 2331158236 RHUAETBZHBQUKQ-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE Cc1ccc(C=Nn2c(SCC(=O)Nc3cccc(C)c3C)nnc2-c2ccco2)cc1 2331174214 NQKXRDUZFRUBDE-UHFFFAOYSA-N 445.548 5.076 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)Cc1ccccc1 2331318238 LLCZURNUXNNRCK-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE O=C(Cc1ccc(F)cc1F)Oc1ccc(C=CC(=O)c2ccc(F)cc2)cc1Cl 2331520918 QAAIWNRGRXYJJJ-UHFFFAOYSA-N 430.809 5.802 30 10 IKEE COCCC(=O)Oc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1Br 2331769070 VXONAVYTRINMGS-UHFFFAOYSA-N 431.326 5.212 30 10 IKEE CC1(C)OB(/C=C/c2ccc(N(Cc3ccccc3)CC3CCCCC3)nc2)OC1(C)C 2339577284 QKLKMRGSMKIOCO-ISLYRVAYSA-N 432.417 6.313 30 10 IKEE Cc1cccc(CSc2nc3n(n2)[C@@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N3)c1 20134248 LSMFTTWUPJQQSG-NRFANRHFSA-N 436.968 5.554 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)cc2Cl)cc1 20881564 FFTYQWGZIRBFIU-BEFAXECRSA-N 444.358 5.787 30 10 IKEE CC(C)Oc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(Cl)c2Cl)cc1 21237011 VUTIQZFRWNJFIV-YJBOKZPZSA-N 444.358 5.785 30 10 IKEE CCOc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccc(F)cc1)C2 21257108 GZJUYJHSTCCDPE-CLYVBNDRSA-N 428.507 6.204 30 10 IKEE CCn1nc(C)c(CN/C(=N/C(=O)c2ccc(C(C)(C)C)cc2)Nc2ccc(F)cc2)c1C 32971661 BOYKVHDJHNIOIX-UHFFFAOYSA-N 449.574 5.355 30 10 IKEE COc1ccc(/C=C\C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1Br 33377994 MAHBDAMBCSTTSA-VVEJJEBESA-N 431.355 5.168 30 10 IKEE C=CCc1ccccc1OCCn1c([C@@H](C)NC(=O)c2ccccc2C)nc2ccccc21 40186456 XSPCKWOKODXWNL-OAQYLSRUSA-N 439.559 5.643 30 10 IKEE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)Nc1ccccc1F 59265525 NVFUBIVJITYWNA-UHFFFAOYSA-N 447.539 5.099 30 10 IKEE Cc1ccc(-n2c(-c3ccccc3)cc(/C=N/Nc3ccccc3)c2-c2ccccc2)cc1 59426233 QDLAFHKFKSDFDM-DFKUXCBWSA-N 427.551 7.566 30 10 IKEE CC(C)c1ccc(/C=C2/S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1 83260071 DPDSYBKOAZMJIH-FUQOYWQNSA-N 426.585 6.483 30 10 IKEE CCCCCCCOc1ccc(C(=O)Oc2ccc(Br)cc2C(C)(C)C)cc1 100215885 RDJGOHPFEUBVAS-UHFFFAOYSA-N 447.413 7.315 30 10 IKEE CCCCCCCOc1ccc(C(=O)Oc2cccc(C(=O)OC[C@@H]3CCCO3)c2)cc1 100282473 YGIYKSKQIQXSCJ-DEOSSOPVSA-N 440.536 5.591 30 10 IKEE CCCCCCCCCCCCCC(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 100441780 KMYSPKGBHUEUAX-UHFFFAOYSA-N 435.674 7.443 30 10 IKEE COc1ccc(/C=C2/Oc3c(cc4c(c3C)OCN(Cc3cccs3)C4)C2=O)cc1OC 103159771 ZMEZWWGCUFZDNP-LSHDLFTRSA-N 449.528 5.042 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/Nc2ccc(OC)c(Cl)c2)cc1Cl 169877172 YALPVWNBDLAYFN-YZSQISJMSA-N 437.411 7.577 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(OCc3ccc(F)cc3)cc2)NC(=S)N1C 169935446 KTKJJEAQDHIHQG-XMMPIXPASA-N 446.547 5.423 30 10 IKEE COc1cc(/C=N\Nc2nc(-c3ccc(C)cc3C)cs2)cc(Br)c1OC 169940412 VXKZEQNGRPPUJU-YVNNLAQVSA-N 446.370 5.653 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1cccc(C)c1 169968481 SXQJLKMZHXYTCQ-QHCPKHFHSA-N 449.453 5.373 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2cccc(C)c2)cc1 169972214 GFTSHZOJUSQAOJ-AREMUKBSSA-N 441.527 5.101 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1cccs1)c1cc2ccccc2o1 169985766 CUNJLZBTSMAXNH-HXUWFJFHSA-N 435.888 5.931 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2cccs2)cc1 169987749 PHBGITNNUYVEKO-HXUWFJFHSA-N 425.456 5.372 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccs2)c1 169989059 LPZWUAKFHPNWJX-QFIPXVFZSA-N 445.496 5.281 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cccc3ccccc23)[C@H]1c1ccncc1 170020820 FRAMKHANVXVFSN-DEOSSOPVSA-N 436.467 5.026 30 10 IKEE CC(C)Oc1ccc(C2=C(SCc3ccco3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170085884 GHIVBWAIDWFVKY-UHFFFAOYSA-N 444.512 5.156 30 10 IKEE CCOc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccco2)c1 170097763 GERZDVGUDZJENA-QHCPKHFHSA-N 431.488 5.074 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)o1 170101073 HVRZPNOWPWYWDM-IBGZPJMESA-N 446.261 5.817 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1ccc(OC)cc1 170116456 PRRRWJPKDFBARV-HXUWFJFHSA-N 425.868 5.083 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccccn2)c(C)c1 170175633 BMGQJSQDTUFPDK-VWLOTQADSA-N 434.495 5.635 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccncc2)ccc1OC(C)C 170206401 LWNXUBJMVSFNNH-XMMPIXPASA-N 442.515 5.269 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccc(OCC)cc1 170214498 BJDFWEJDMZFDSX-BXKMTCNYSA-N 449.547 5.177 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(OCC)c2)cc1 170218757 MQYGNKZMNFVSPR-DEOSSOPVSA-N 449.547 5.395 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@@H]1c1ccccc1 170232305 RLMOLNQNDXCMNN-IBGZPJMESA-N 428.326 5.136 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2F)c1 170249309 IZASBFOZKWTVFG-XMMPIXPASA-N 445.490 5.706 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccccc1F 170249559 VXFXZWCHVDPKON-QHCPKHFHSA-N 426.447 5.398 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccc(C)o2)c1 170300283 GYKYHNACIKKLNL-HSZRJFAPSA-N 431.488 5.467 30 10 IKEE CCN(CC)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccc(C)c2)cc1 170342809 MENCQDYYZGELOL-VWLOTQADSA-N 440.543 5.624 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)[C@@H]1c1cccc(O)c1)c1cccs1 170387856 WIMLRTNUGKLRBU-GOSISDBHSA-N 445.418 5.255 30 10 IKEE Cn1cc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cccc(Cl)c2)c2ccccc21 170396126 MUWDSMLCJIJVKT-NRFANRHFSA-N 432.863 5.208 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1)c1cccs1 170421078 CPKOYROXYKFULI-LJQANCHMSA-N 443.446 5.545 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)C(C)C)[C@H]1c1ccc(C(C)(C)C)cc1 170468607 FCHKNDRUKVYZFH-OAQYLSRUSA-N 425.956 6.071 30 10 IKEE CC(C)c1ccc(/C=C/C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1 170522136 KCROWHCVBADOED-OBGWFSINSA-N 432.523 7.261 30 10 IKEE C=CCn1c(SCCC(=O)Nc2ccccc2Cl)nnc1-c1ccc2ccccc2c1 253578379 YGJYHGUPUUEYQR-UHFFFAOYSA-N 448.979 6.059 30 10 IKEE SC[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cc(Br)cc(Br)c1 382727076 RCGJTRHFVPTTDW-YJBOKZPZSA-N 441.232 5.357 30 10 IKEE CSc1nc(O)c(C(=O)NCc2ccccc2-c2ccc(Cl)cc2Cl)cc1C#N 473640858 UZONMBMYQPVYAC-UHFFFAOYSA-N 444.343 5.285 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 526488705 MEUMJDKGQGGPIY-IBGZPJMESA-N 427.312 5.984 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cn(C)c3ccccc23)cc1 526605580 XPRVBAAPHDAAHE-RUZDIDTESA-N 435.483 5.116 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccc(N(CC)CC)cc1 526821114 BMQBBRCDGSKXJY-IMRQLAEWSA-N 443.620 6.014 30 10 IKEE C=CCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1cc(Cl)ccc1OC 586258442 IKFXLOLYEGXAPA-UHFFFAOYSA-N 429.925 5.522 30 10 IKEE Cc1cc(C=Nc2ccc(-c3ccccc3)cc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 1084483938 ICSPNSJSMPMEFJ-UHFFFAOYSA-N 438.483 5.908 30 10 IKEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(CCC(C)C)C1CC1 1301149951 IZJMFSAJLYZBAP-UHFFFAOYSA-N 434.588 5.211 30 10 IKEE C=CCOc1ccccc1/C=C1\SC(=Nc2nc(C)cs2)N(C2CCCCC2)C1=O 1772738510 OFUNPTFAODHRAK-VASVRFFCSA-N 439.606 5.953 30 10 IKEE CC[C@@H]1CCCCN1C(=O)Oc1cccc2c(NC(=O)c3cccc(C#N)c3)cccc12 1858954849 SUWCMYOCYPFRSL-HXUWFJFHSA-N 427.504 5.727 30 10 IKEE CN1CCC(N(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC1 1859975337 QNTDLIPOBQBSRA-UHFFFAOYSA-N 448.382 5.604 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)c1ccc(Cl)c(Cl)c1 1861045610 RFSDGHTYLHLKTO-HXUWFJFHSA-N 429.432 6.149 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1cccc([N+](=O)[O-])c1 1862384732 ZGYCNOGQTVXKQA-GOSISDBHSA-N 449.290 5.280 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(N(CC)CC)cc1 1862422049 VMNMABADGDJYRD-QFIPXVFZSA-N 442.506 5.189 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@@H]2c2ccc(C)cc2)cc1 1862428895 AEQUKVXYEMRYTK-QHCPKHFHSA-N 431.919 5.735 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCc2ccc(F)cc2)c1 1862429783 VBMPGBMKEKNHFU-QHCPKHFHSA-N 449.909 5.609 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@H]2c2cccc(O)c2)c1 1862431054 YQBNAVXMFCBJGS-HSZRJFAPSA-N 447.918 5.441 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(C(C)C)cc2)ccc1F 1862504474 VHRJRITULINBTD-RUZDIDTESA-N 449.566 6.559 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2Cc2cccs2)cc1 1862534840 VSYANFCFZSCJIC-HSZRJFAPSA-N 447.556 5.488 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2)cc1 1862614647 DYODJDSKWXCZDL-JOCHJYFZSA-N 431.557 5.824 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2[C@@H](C)CC)c1 1862655709 NUXHGOXMQHREDS-BVZFJXPGSA-N 443.543 6.005 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C(C)C)cc1 1862658396 QBKWSCLVJPWGOT-RUZDIDTESA-N 442.559 5.673 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862660571 KAWYCRRFDPXOKG-URXFXBBRSA-N 444.531 5.049 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(Cl)cc2)cc1 1862663264 QDUMVYXHHXUIRJ-RBBKRZOGSA-N 439.939 5.221 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccc(Cl)cc2Cl)cc1 1862668440 ZAKQAHBDYOGZMD-FQEVSTJZSA-N 432.347 6.104 30 10 IKEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(F)c2)cc1 1862674008 RDEOIAWVOQLSLH-NPMXOYFQSA-N 449.453 5.313 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C(C)C)cc1 1862722418 ZVWAYRSSHXRWTD-RUZDIDTESA-N 442.559 5.673 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccc(C)c1 1862722541 SQKLJTXUZKQVEC-VWLOTQADSA-N 441.527 5.277 30 10 IKEE N#Cc1ccc(NC2=C(c3c[nH]c4ccccc34)C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 1863125926 YCBWQNJCACLGOK-UHFFFAOYSA-N 438.874 5.090 30 10 IKEE CCCCCCCCCCCC(=O)Nc1cc(OCC)c(N2CCOCC2)cc1OCC 1865986033 JJOMUUNJDPNRTA-UHFFFAOYSA-N 448.648 6.180 30 10 IKEE CCc1nc2ccc(Cl)cc2c(C(=O)Nc2c(C#N)c(-c3ccccc3F)nn2C)c1C 1866281298 IFARTRKJHBZEDZ-UHFFFAOYSA-N 447.901 5.423 30 10 IKEE CCc1ccc([C@H]2CN(c3cc(Nc4ccccc4C#N)nc(C(C)(C)C)n3)CCO2)cc1 1868350947 QCUWSMIRCNZFBC-HSZRJFAPSA-N 441.579 5.530 30 10 IKEE C=CCn1cc(OCC(=O)Nc2c(C)cc(C)cc2C)c(=O)cc1CSc1ccccc1 1870210319 YHNIWLBOEDFWKO-UHFFFAOYSA-N 448.588 5.269 30 10 IKEE C=CCn1cc(OCCOc2ccc(C)cc2)c(=O)cc1CSc1ccc(Cl)cc1 1870218839 JGYOECUEDDMDAV-UHFFFAOYSA-N 441.980 5.746 30 10 IKEE CCCCCCCOc1cn(Cc2cccnc2)c(CSc2ccc(C)cc2)cc1=O 1870252392 QRGRVRZDGMZVJU-UHFFFAOYSA-N 436.621 6.242 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccccc2C)cn1Cc1ccc(Cl)cc1 1870630665 GBFOCEBDAWYXNE-UHFFFAOYSA-N 448.994 5.611 30 10 IKEE C#CCOc1cn(CCC2=CCCCC2)c(CNc2cc(C(C)C)cc(C(C)C)c2)cc1=O 1871008774 NGOFBWFCORCUTI-UHFFFAOYSA-N 446.635 6.610 30 10 IKEE Cc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCOc2ccccc2)C4)cc1 1871346436 FXIJYOPSOLDVFD-IWIPYMOSSA-N 427.500 5.151 30 10 IKEE CCCCC[C@@H](CC)N1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(C(C)C)cc1)C3=O 1871347728 SGMNIVIBUALSBX-IPLHSMHLSA-N 447.619 7.245 30 10 IKEE CCCCC[C@@H](CC)N1COc2cc(C)c3c(c2C1)O/C(=C\c1ccccc1OCC)C3=O 1871347748 TUNYUNFSLLKROX-FFAHCDIZSA-N 449.591 6.521 30 10 IKEE COc1ccc([C@@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2cccc(C)c2)C4=O)cc1 1871354377 OVWFXGWCQWWSPB-DBXOKZBGSA-N 427.500 5.533 30 10 IKEE Cc1cc(OC(=O)c2c(F)cccc2Cl)cc2c1C(=O)/C(=C/c1cccc(F)c1)O2 1871375503 OTEXESXDNHTHES-GRSHGNNSSA-N 426.802 5.762 30 10 IKEE O=C(/C=C/c1ccc(Cl)cc1Cl)Oc1ccc2c(c1)O/C(=C\c1ccccn1)C2=O 1871378393 KYZFZWKPYQZUBO-SJBQCXTDSA-N 438.266 5.623 30 10 IKEE CCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(CC)cc2)C3=O)cc1 1871379985 QKCNMOOMHFMXTO-QHEGJKBSSA-N 440.495 5.883 30 10 IKEE Cc1c(OC(=O)CCc2ccccc2)ccc2c1O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 1871385847 PHGDOHPPFQGKKC-JCMHNJIXSA-N 429.428 5.058 30 10 IKEE Cc1c(O[C@H](C)C(=O)OC(C)C)ccc2c1O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 1871400901 OFEMXEPLIQTQRE-XTBHVRTMSA-N 435.303 5.637 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4Cl)cc(C)c3C2=O)cc1 1871404201 JAHUIRFKGKHJSE-ICODJCHTSA-N 447.918 5.979 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(F)c2)C3=O)c(C)c1 1871414351 SZOHDJOKQPQXTG-DNNAEVNTSA-N 445.490 5.773 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OC(c3ccccc3)c3ccccc3)ccc2C1=O 1871431371 XCNNOBZUIAFSHV-IMRQLAEWSA-N 434.491 6.480 30 10 IKEE Cc1ccc(NC(=O)CCOc2ccc3c(c2C)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871432532 KAEQDTXUOXBEAG-HAHDFKILSA-N 447.918 5.981 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(OC)cc2)[nH]c(N(CC)CC)n1 1871562723 BEKCTECINPSDRF-UHFFFAOYSA-N 428.625 5.445 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 1871871129 GXOBNEMMMCYFKD-QFIPXVFZSA-N 449.016 5.269 30 10 IKEE COc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)c(OC)c1 1872760283 LDJGWTWMYQWBTE-NRFANRHFSA-N 432.545 5.125 30 10 IKEE COc1cccc(-c2csc([C@H](C#N)C(=O)c3c(Cl)ccc(Cl)c3OC)n2)c1 1872762496 ONKOHTOTUXVBEO-CYBMUJFWSA-N 433.316 5.624 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccc(Cl)cc3)n2)cc1 1872765637 TTWWUXKESBZQBU-IIBYNOLFSA-N 438.980 6.450 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)C(c3ccccc3)c3ccccc3)n2)cc1F 1872775454 QTSPITRGMHSLEW-HXUWFJFHSA-N 442.515 5.966 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)Nc1cc(C)cc(C)c1)n2C 1873629197 QKRIVVHMOYYVGS-UHFFFAOYSA-N 435.616 6.390 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1cc(Cl)ccc1C)n2CCCC 1873656958 PBSCXAXDXLDZOD-UHFFFAOYSA-N 437.975 5.624 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2ccc(F)cc2)cc1 1874349509 PCYAASKSOMIJGA-WGOQTCKBSA-N 432.524 5.191 30 10 IKEE Oc1ccc(/C=N/n2c(CCc3cccs3)nnc2SCc2ccc(F)cc2)cc1 1874368709 OUCFBRAJMCOGDA-ZVHZXABRSA-N 438.553 5.144 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3)n2/N=C/c2sccc2C)c1 1874398481 JDQRZGZEXMSSSD-PCLIKHOPSA-N 432.618 5.916 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(SCCc2ccccc2)nnc1-c1cccs1 1874422762 COSVNKRHZQQMKU-KOEQRZSOSA-N 448.617 6.011 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2cccc3ccccc23)cc1 1874425548 OGBAJNMJSFHISG-MTDXEUNCSA-N 434.568 6.581 30 10 IKEE CC(C)(C)c1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2-c2ccccc2)cc1 1874426367 FJYRLKDFLINZLR-OGLMXYFKSA-N 444.579 6.556 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(O)c(O)c1 1874440487 DHXUIGZJRXZLPZ-FSJBWODESA-N 430.961 5.106 30 10 IKEE C=CCSc1nnc(C(F)(F)F)n1/N=C/c1ccc(OCCCCC)c(OC)c1 1874462562 ZOIZKFCKXXQGDY-YDZHTSKRSA-N 428.480 5.035 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C(F)(F)F)cc1 1874462858 ILDJLQAAYLAFQN-LIMNOBDPSA-N 447.269 5.484 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2C(C)(C)C)c(OC)c1 1874484199 KGTIAWQNPVFYRI-AFUMVMLFSA-N 438.597 5.384 30 10 IKEE CC(C)(C)c1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1cccc2ccccc12 1874484907 UPCIPXQVNHLMTL-WGOQTCKBSA-N 449.624 5.152 30 10 IKEE CCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874521933 SSLQTVMKHGOXOZ-WPWMEQJKSA-N 442.588 5.902 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C2CC2)c1 1874523332 LKDUHLPVXNHBOV-AUEPDCJTSA-N 433.364 5.651 30 10 IKEE CCOc1cc(/C=N/n2c(S)nnc2CC(C)(C)C)ccc1OCc1ccc(C)cc1 1874560318 RNQONHJEDHURMG-MFKUBSTISA-N 438.597 5.324 30 10 IKEE Sc1nnc(CC2CCCCC2)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874560520 BGGXNUCFLWAMAG-MFKUBSTISA-N 441.000 5.804 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1OCc1cccc(C)c1 1874569944 KSOMPAVAJGVEHU-MDZDMXLPSA-N 437.879 6.040 30 10 IKEE CCCNC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(-c2ccccc2)cc1 1874570156 QASSLKIVTIJMSY-ISLYRVAYSA-N 449.550 6.308 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OCc1c(Cl)cccc1Cl 1874598941 NDXMOGFNVGTPNU-DHZHZOJOSA-N 441.354 7.094 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 1874604763 DNLJPLWQHXUYRA-WUXMJOGZSA-N 441.354 7.040 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(Cl)cc3Cl)cc2)o1 1874605930 MTULMSJMEDALFW-VZUCSPMQSA-N 445.298 6.238 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2)c(Br)c1)c1ccccc1Cl 1874608968 QOOVHAIBAJVQSV-ZRDIBKRKSA-N 427.725 6.578 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3cccc(Cl)c3)cc2Cl)o1 1874612312 ODKQACYQCIOFNF-RMKNXTFCSA-N 445.298 6.238 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3c(C)cccc3C)c(Cl)c2)c(C)c1 1874615220 MTFIHJLDWVOHMU-FMIVXFBMSA-N 447.962 6.487 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3Cl)c([N+](=O)[O-])c2)cc1F 1874621517 HPKJPQQAMRZWEP-RMKNXTFCSA-N 441.842 5.871 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3)c([N+](=O)[O-])c2)cc1 1874624203 QWMUOXDPNLWCJZ-RIYZIHGNSA-N 444.487 5.632 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OCC 1874625720 STNQRLDRSFIJHK-NTUHNPAUSA-N 427.516 5.148 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3cccc(C)c3)c(OC)c2)c(C)c1C 1874626538 JZGMRSMQDFQMSR-ZRDIBKRKSA-N 446.543 6.113 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OC(=O)COc1ccc(C)c(C)c1 1874698956 WJXIBLSUFWGEAF-JLHYYAGUSA-N 446.499 5.201 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccccc3Cl)c2)cc1 1874702121 SONAWNUNIVOFEJ-XNTDXEJSSA-N 434.919 6.173 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC 1874703124 ZTOMNAUBOFKUCG-RVDMUPIBSA-N 446.499 5.283 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc(F)cc3)c2)c1 1874713175 JQLSNQRKFJPHIM-RIYZIHGNSA-N 434.463 5.738 30 10 IKEE Cc1ccccc1CCC(=O)Oc1cccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1 1874718541 JPTRGPNMBGBQQQ-UKTHLTGXSA-N 439.338 6.736 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Br)c(O)c(Br)c2)cc1C 1874719309 VMWPNVPRKXSUQI-HWKANZROSA-N 426.104 5.130 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3Cl)cc2)cc1OC 1875098936 OGKKYOBDEHOVFD-UKTHLTGXSA-N 436.891 5.401 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)ccc1OC(=O)c1cccc(C)c1 1875099639 RBCAYVSBDSWTGM-FMIVXFBMSA-N 446.499 5.526 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccnc2)c(Cl)c1)c1cccc(Br)c1 1875114831 XYGZVICCVIKPSM-SOFGYWHQSA-N 442.696 5.613 30 10 IKEE O=C(CSc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1Cl 1875125926 IAZQHPBLZCVEMK-WUXMJOGZSA-N 443.351 6.587 30 10 IKEE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2Cl)cc1 1875128142 PGLOYFADCDCCNZ-RNYZQXAPSA-N 448.946 6.732 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)c1cc(OC)cc(OC)c1 1875128844 XKCNQNFWMNVOND-ZRDIBKRKSA-N 432.472 5.218 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3ccc(C)cc3)c(OC)c2)cc1 1875129914 ZXHABKGEJMBKAA-OVCLIPMQSA-N 446.499 5.526 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(F)c3)c(OCC)c2)cc1 1875130961 ZYZZNUCCKDLYBI-RIYZIHGNSA-N 434.463 5.738 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CSc3ccccc3)cc2)cc1 1875137330 HTWAYRZVMYMNJG-LICLKQGHSA-N 432.541 6.069 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)COc1c(C)cccc1C 1875143482 BVMKGSYVEIHRLO-XYOKQWHBSA-N 448.490 5.640 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3OC)cc2)c1 1875143535 DSJUNDHHGBGGPL-DHZHZOJOSA-N 432.472 5.136 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)COc1ccccc1 1875156998 NKMBUEQIXXKIMS-OQLLNIDSSA-N 430.500 5.699 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(OC)c(Cl)cc2OC)cc1OC 1875173665 SMNDXKQVYQEEPU-CSKARUKUSA-N 432.900 5.358 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3c(C)cc(C)cc3C)cc2)c1 1875182857 YJAGIXJTKNJFBC-GXDHUFHOSA-N 428.528 6.055 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)Cc1cccs1 1875185565 YWZJEKKYLMMHTL-FMIVXFBMSA-N 448.584 6.407 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CSc3ccccc3)cc2)cc1Cl 1875186744 AOZXVWATZYEWEF-UKTHLTGXSA-N 438.932 5.942 30 10 IKEE Cc1nn(C)c(Br)c1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1891065240 HCMFIIRQPBTLAI-CQSZACIVSA-N 439.741 5.151 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@H](C#N)[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1892756234 MYVPIDOTCRHYED-VQTJNVASSA-N 441.572 5.105 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@](C)(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)cc1 1912172416 DTQCQLIKHPJEFK-QFIPXVFZSA-N 444.536 5.710 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1C[C@H]2C[C@H]1C[C@@H]2NC(=O)OC(C)(C)C 1922068317 HXCDCPUVFQIJPC-JTKSJCOOSA-N 428.617 5.067 30 10 IKEE C=C(COCc1ccccc1)C(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 1922097012 KOCYIHZOYZDKHJ-UHFFFAOYSA-N 435.564 5.297 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)[C@H]2CCC[C@H]21 1926556876 ZKLGTEMSBCNFGY-IXFSTUDKSA-N 447.601 5.167 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@H](CC1CCCCC1)NC(=O)OC(C)(C)C 1926613678 BZVOGIGIQOUPFN-DNQXCXABSA-N 430.633 5.601 30 10 IKEE CC1(C)CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCC2)[C@H](CNC(=O)OC(C)(C)C)C1 1927164752 IZDSCDGGLWXVLH-BXKMTCNYSA-N 435.609 5.389 30 10 IKEE N#Cc1ccc([C@@H](CCCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 1951577231 OHEGLCXIOGSAIK-RUZDIDTESA-N 440.499 5.393 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1991919027 GAFDSKRUZMXPBQ-ROUUACIJSA-N 435.952 5.373 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1996779735 QCYDFIYFAHCUEC-SMIHKQSGSA-N 428.617 5.021 30 10 IKEE C=CCC[C@H](C)[C@H](NCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997469557 PSOUGXYXUCHTHY-RZPFDVGOSA-N 430.633 5.411 30 10 IKEE CCCN[C@H](CC#C[Si](C)(C)C)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2014157754 FBNGNMOIURCUNP-DHIUTWEWSA-N 446.708 5.126 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@H](C#N)[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2017957698 ZFDXPGQAYDBAIF-HKUYNNGSSA-N 435.609 5.484 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1C(C)(C)[C@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2055761776 BPYOKDUFLDNVCV-HHJKRLRDSA-N 447.620 5.484 30 10 IKEE C=CCN(CCC(=O)Nc1cc(Cl)c(C)cc1Br)C(=O)OC(C)(C)C 2060650688 IULVLMRLZJUWMN-UHFFFAOYSA-N 431.758 5.163 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)[C@@H]1C(C)(C)C 2076161252 KKHVQUQEERGZFR-UUOWRZLLSA-N 447.551 5.495 30 10 IKEE CC(C)(C)OC(=O)c1nn(-c2cc(C(F)(F)F)cc(F)n2)c(C(F)(F)F)c1Cl 2078916743 XGGMVRLIGNHYOB-UHFFFAOYSA-N 433.711 5.053 30 10 IKEE CCOC(=O)c1c(C(C)C)nn(Cc2ccc(C(F)(F)F)cc2F)c1C(F)(F)F 2079087121 GHDPMKHTBJXZGM-UHFFFAOYSA-N 426.332 5.408 30 10 IKEE C[C@H](c1ccc(C2CCC2)cc1)n1nc(C(F)(F)F)c(C#N)c1I 2079998149 MVMKXSYPHWQUAD-SNVBAGLBSA-N 445.226 5.255 30 10 IKEE CC(C)Oc1ccc([C@@H](C(C)C)n2nc(C3CC3)c(C#N)c2I)cc1 2080119103 FOGNPAZSZYOGHD-LJQANCHMSA-N 449.336 5.269 30 10 IKEE C=CCCCCCCCC[C@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NC 2086264035 NZEPCOFSRGHJMW-JWQCQUIFSA-N 446.676 6.381 30 10 IKEE N#Cc1ccc(NCc2c(Br)cccc2Br)c(Br)c1 2094102024 KFSVNRBOXNPEOM-UHFFFAOYSA-N 444.952 5.458 30 10 IKEE C=CCN(CC[C@H](Cc1ccc(Cl)cc1Br)NCC)C(=O)OC(C)(C)C 2099292242 GRQSTOKPNHRSOE-QGZVFWFLSA-N 445.829 5.436 30 10 IKEE C#CC(C)(C)C[C@H](NCCC)c1cc(Br)ccc1I 2111304623 PUMCVDHMOGANTE-HNNXBMFYSA-N 434.159 5.144 30 10 IKEE C=CC1(C[C@H](NCC)c2cc(I)ccc2Br)CCC1 2111711988 SSECEQWVUVLVOP-HNNXBMFYSA-N 434.159 5.451 30 10 IKEE COc1cc(CNC(=O)OC(C)(C)C)ccc1Nc1cc(Br)cc(C#N)c1 2162336016 ZSNTVJTXBRWQPB-UHFFFAOYSA-N 432.318 5.098 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc(OCCNc2cc(Br)ccc2C#N)c1 2162417987 LFQAVKFUXYRIJW-UHFFFAOYSA-N 432.318 5.159 30 10 IKEE CN(CC[C@@H]1CCCCN1c1cc(Br)c(C#N)cc1F)C(=O)OC(C)(C)C 2174808920 TWYUFJYRVSKEBT-HNNXBMFYSA-N 440.357 5.076 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)Nc2ccc(CC#N)cc2)c1 2181043689 CDQIIGPIMSEGKV-UHFFFAOYSA-N 430.302 5.114 30 10 IKEE Cc1sc([C@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)c(C)c1Br 2209011872 CUWXMVKIKXHJJC-INIZCTEOSA-N 435.387 6.129 30 10 IKEE CC1(C)OB(c2cccnc2Oc2c(Cl)cc(Br)cc2Cl)OC1(C)C 2232310276 SWPKZIJPFRXUCT-UHFFFAOYSA-N 444.949 5.242 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(C)c(Br)c(C)c1 2235612538 POPSDDURXBXXLQ-ICSRJNTNSA-N 439.438 5.966 30 10 IKEE CCCCCCCCC[C@@H](O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248461038 POMOAFQECBGDPW-HSZRJFAPSA-N 433.633 5.942 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)c1ccc(Br)c(Cl)c1 2275136173 OHJNIPDIYARCEI-HXUWFJFHSA-N 439.733 5.408 30 10 IKEE O[C@H](C#Cc1cccc(Br)c1)c1cc(Br)ccc1Br 2278799459 JGKNJLSDKOIMFY-OAHLLOKOSA-N 444.948 5.059 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)C[C@@H](CC(C)C)NC(=O)OC(C)(C)C 2296266793 MDWWOIKKCFIBFW-WOJBJXKFSA-N 437.422 5.108 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)CCC[C@@H](CC)NC(=O)OC(C)(C)C 2296293207 GZKKQPMQVPKGDU-WOJBJXKFSA-N 437.422 5.252 30 10 IKEE Cc1ccccc1N=C1SC(=Cc2ccc(C(=O)O)cc2)C(=O)N1c1ccccc1C 2296826786 RIEYRCAHBYQSFJ-UHFFFAOYSA-N 428.513 5.810 30 10 IKEE O=C(Nc1sc(NN=CC=Cc2ccccc2)nc1-c1ccc(F)cc1)c1ccccc1 2296854745 TYDQMROCRGEKDP-UHFFFAOYSA-N 442.519 6.313 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@H](C#N)[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 2304174733 BJFBZIRKRHTPHK-QZTJIDSGSA-N 447.601 5.167 30 10 IKEE Cc1cc(C=C2SC(=Nc3ccc(F)cc3)NC2=O)c(C)n1-c1ccc(C(C)C)cc1 2313558240 WHLQIBKSGOCJLT-UHFFFAOYSA-N 433.552 6.248 30 10 IKEE Fc1ccc(Br)cc1C=Nn1cnnc1SCc1cccc(Cl)c1 2321323544 ZJOMUJLBXHDNBS-UHFFFAOYSA-N 425.714 5.008 30 10 IKEE Cc1cc(OCC=Cc2ccccc2)cc2c1C(=O)C(=Cc1ccc(Br)cc1)O2 2321813829 AEXJMNZGVRKTBA-UHFFFAOYSA-N 447.328 6.466 30 10 IKEE COc1ccc(CN2COc3cc(C)c4c(c3C2)OC(=Cc2ccc(F)cc2)C4=O)cc1 2321947033 WTJUEUNZEBEQHY-UHFFFAOYSA-N 431.463 5.111 30 10 IKEE CCN(CC)CCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccccc1Cl)C3=O 2322114895 RTDATFHIEUGFHX-UHFFFAOYSA-N 440.971 5.148 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc(Cl)cc1 2322532100 HUDIUBAZMSSIEL-UHFFFAOYSA-N 434.363 5.917 30 10 IKEE O=C(CCCOc1ccccc1)Oc1ccc2c(c1)OC(=Cc1ccccc1Cl)C2=O 2323177649 WTKVAXLNBJBQKC-UHFFFAOYSA-N 434.875 5.721 30 10 IKEE CCc1ccc(NC(=O)COc2cccc(C=CC(=O)c3cc(C)c(OC)cc3C)c2)cc1 2323323676 SBQVYGUMTLIELU-UHFFFAOYSA-N 443.543 5.788 30 10 IKEE CCOc1c(Cl)cc(C=NNS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1Cl 2323353555 OKJSRBHBLWJNOC-UHFFFAOYSA-N 442.151 5.011 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OCc1ccccc1C 2323421373 BOVWXKUQKYTHIK-UHFFFAOYSA-N 442.555 6.366 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccc(CC)cc2)cc1Cl 2323464823 OCBMTKFAUXMFOP-UHFFFAOYSA-N 427.972 5.826 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc(OC(=O)CCOc3ccccc3)c2C)C1=O 2323686598 SRTWYZKETJIRIP-UHFFFAOYSA-N 444.483 5.384 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(C)o2)C3=O)c(OCC)c1 2323790273 FNYGKJNOVXKHRM-UHFFFAOYSA-N 448.471 5.529 30 10 IKEE CC(C)Oc1c(Cl)cc(C=NNc2nc(-c3ccc(Cl)cc3)cs2)cc1Cl 2323852737 YJXMSTGPXJPJJU-UHFFFAOYSA-N 440.783 7.004 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(F)cc2)C3=O)c1 2323890337 PEWMTYRQJPWCQO-UHFFFAOYSA-N 446.430 5.285 30 10 IKEE Cc1cccc(C=C2Oc3c(CN4C[C@@]5(C)C[C@H]4CC(C)(C)C5)c(O)cc(C)c3C2=O)c1 2324097779 PPCDIUYAQTTXCJ-NGOKVRLYSA-N 431.576 6.026 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OCC(=O)NC1CCCCC1 2324169882 KOEQTLCPLUJSIP-UHFFFAOYSA-N 449.591 5.933 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(OC)cc3OC)n2)cc1 2324504973 MSJCGFSAEWHVOF-FQEVSTJZSA-N 434.517 5.116 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OCc1cc(C)ccc1C 2324547606 LBYQFIZZPOBQEB-UHFFFAOYSA-N 444.571 6.721 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OCCCCOc4ccc(C)cc4)c3C)C2=O)c1 2324588936 YHOBBDOWTKVTAV-UHFFFAOYSA-N 444.527 6.166 30 10 IKEE C=C(C)COc1c(Cl)cc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1OCC 2324662128 LIJQOQGQVWFQHD-UHFFFAOYSA-N 425.739 6.897 30 10 IKEE CCCCCCC[C@@H](O)Cc1ccc(I)c(Br)c1 2325204088 LAUXJKXDRWLVJP-CYBMUJFWSA-N 425.148 5.318 30 10 IKEE CC(C)c1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2F)cc1 2325489334 MUFHSQQDJNWSFI-UHFFFAOYSA-N 444.579 6.306 30 10 IKEE O=[N+]([O-])c1cc(C=Nn2cnnc2SCc2ccc(Cl)c(Cl)c2)ccc1Cl 2325668837 APQOILJCHSFQCI-UHFFFAOYSA-N 442.715 5.321 30 10 IKEE O=C(C=Cc1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 2325669498 IZCWJWNYHCQECW-UHFFFAOYSA-N 436.851 5.048 30 10 IKEE Cc1cc(OCCN2CCCCC2)cc2c1C(=O)C(=Cc1ccccc1Br)O2 2325701501 ZKMTVWWXMODACU-UHFFFAOYSA-N 442.353 5.238 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2)c1 2325744495 FJKPGSNKLVDHEE-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE COc1cccc(CCC(=O)Oc2cccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)c2)c1 2325756920 LCAWARHMIPLOPK-UHFFFAOYSA-N 442.555 6.363 30 10 IKEE CSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1cccc(Cl)c1 2325907087 CLQPGINKZPWYLS-UHFFFAOYSA-N 427.744 5.421 30 10 IKEE CCc1nnc(SCc2ccccc2)n1N=Cc1c(Cl)ccc(Cl)c1Cl 2326220338 JCMZEQQMZUDVHZ-UHFFFAOYSA-N 425.772 5.975 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1ccc(C(C)C)cc1 2326339662 BOUXLERSUQGHKU-UHFFFAOYSA-N 448.636 6.136 30 10 IKEE CCOc1c(Cl)cc(C=Nn2cnnc2SCc2ccc(C)cc2C)cc1Cl 2326432460 DQSMGUYUHGFSOE-UHFFFAOYSA-N 435.380 5.775 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCC=C)n1N=Cc1ccc(C(C)C)cc1 2326470598 GCXUYQGNNOIUDC-UHFFFAOYSA-N 448.592 5.706 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccccc1Cl 2326541062 HLSAOKVRQLYQQF-UHFFFAOYSA-N 433.364 5.633 30 10 IKEE C=C(C)CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccc(F)cc1F 2326908615 OFRRPAKCYBXYSS-UHFFFAOYSA-N 442.579 5.866 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3Cl)n2N=Cc2ccco2)c1 2327931279 CBUCMJWJRYNDMV-UHFFFAOYSA-N 436.968 5.793 30 10 IKEE C=CCSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1ccc(C(C)(C)C)cc1 2328568631 SDCUHZUZAHJVFE-UHFFFAOYSA-N 434.609 5.725 30 10 IKEE Cc1ccc(OCc2nnc(SCc3cccc(F)c3)n2N=Cc2cccnc2)c(C)c1 2328895168 JBCRTWMTCSRWTR-UHFFFAOYSA-N 447.539 5.183 30 10 IKEE Cc1ccccc1C=Nn1c(Cc2ccc(F)cc2)nnc1SCc1ccc(F)cc1 2329809705 FWHQHQBLTXUPPF-UHFFFAOYSA-N 434.515 5.630 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccccc3)n2N=Cc2cccc(C)c2)cc1 2329871142 XPRYFQNVKMVROQ-UHFFFAOYSA-N 428.561 5.648 30 10 IKEE CCc1ccc(C=Nn2c(Cc3cccs3)nnc2SCCc2ccccc2)cc1 2330398951 LSYKGNUMKDIANA-UHFFFAOYSA-N 432.618 5.710 30 10 IKEE Cc1ccc(O)c(C=Nn2c(Cc3ccccc3)nnc2SCc2ccc(Cl)cc2)c1 2330507396 IZQZKLZIKRZSLC-UHFFFAOYSA-N 448.979 5.711 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccc(F)cc3)nnc2-c2cccs2)c1O 2330540190 JEYLKDBJIDVVED-UHFFFAOYSA-N 440.525 5.034 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)[C@H]1[C@@H]2CCC(F)(F)[C@@H]21 2330652104 GMWIFQPVNCMAGA-SRMUXQRQSA-N 427.289 5.374 30 10 IKEE Clc1cccc(CSc2nnc(-c3ccccc3)n2N=Cc2ccccc2Cl)c1 2330693014 VOWOLIPDPFUDIP-UHFFFAOYSA-N 439.371 6.426 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)Cc3ccccc3F)c(OC)c2)cc1 2330742280 TZXQTPTVETUGEP-UHFFFAOYSA-N 448.490 5.450 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc(F)c2)n1N=Cc1cc(Cl)ccc1O 2330824557 LQTVBQREAWLSAA-UHFFFAOYSA-N 432.952 5.539 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2)cc(Cl)c1OC(=O)C(F)(F)F 2330867592 PGUWLQMJUSISMT-UHFFFAOYSA-N 442.817 5.420 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc2c(c1)OCO2 2330950790 IRBFRUSSAIKYDO-UHFFFAOYSA-N 436.847 5.193 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@@H]3CCCO3)n2N=Cc2c(F)cccc2Cl)c1 2330961697 VWDMQNOOHRBVTQ-FQEVSTJZSA-N 444.963 5.713 30 10 IKEE Clc1cccc(Cl)c1C=Nn1c(SCCc2ccccc2)nnc1[C@@H]1CCCO1 2330968018 LFTFHJABFUCBLI-IBGZPJMESA-N 447.391 5.653 30 10 IKEE CC(C)COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 2331018041 KTZNNBIBDAPLGZ-UHFFFAOYSA-N 445.471 5.745 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)C3CCCC3)cc2)cc1OCCC 2331109413 VNJBOCYBMBEWMN-UHFFFAOYSA-N 436.548 6.256 30 10 IKEE Fc1ccccc1CSc1nnc(C(F)(F)F)n1N=Cc1c(Cl)cccc1Cl 2331136491 LRPRMMSDTNKUKG-UHFFFAOYSA-N 449.260 5.917 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2OCC)cc1 2331326827 UHMLXXOPVZAHHF-UHFFFAOYSA-N 444.527 6.216 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(F)cc1 2331411035 GUSPFHGLKOOJSN-UHFFFAOYSA-N 437.371 6.196 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)CCCSC 2331489286 PMQQNBPNGIDFBO-UHFFFAOYSA-N 446.996 6.417 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cc(C)ccc3C)cc2)c(C)c1C 2331612050 YNMDXODYBHVRQC-UHFFFAOYSA-N 428.528 5.973 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1cccc(C)c1 2331653646 OPDMMYDYVHSVQX-UHFFFAOYSA-N 442.555 6.743 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1C(C)C 2331688794 BCCSGYHEOYZBSE-UHFFFAOYSA-N 437.525 5.049 30 10 IKEE Cc1cccc(CSc2nnc(C3CC3)n2N=Cc2cc(Br)ccc2F)c1 2331730976 AKNYGWCQEUWEAV-UHFFFAOYSA-N 445.361 5.540 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CC(C)(C)C)c(Cl)c2)c2ccccc12 2331866752 JSOSWFLSLGEAIS-UHFFFAOYSA-N 436.935 6.740 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Cl)cc(Br)c1F 2337098956 UFJZUVPYTPPRLT-RDJZCZTQSA-N 447.776 5.199 30 10 IKEE CC1(C)[C@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C[C@H]1OCc1ccccc1 2339575000 QGYFLSOGLSYHON-UQECUQMJSA-N 434.389 5.522 30 10 IKEE CCCN[C@H](C#C[C@@H]1CC1(C)C)c1cc(Br)ccc1I 2365094612 YCERDJJTUOTXFY-MLGOLLRUSA-N 446.170 5.144 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](O)c2c(C)c(C)c(Br)c(C)c2C)C1 2372260276 WBCWPRXOYSOHPY-IBGZPJMESA-N 438.406 5.577 30 10 IKEE Cc1ccc(NS(=O)(=O)c2ccc(/N=C/c3cccc(Cl)c3Cl)cc2)c(C)c1 12482332 NBAIWSBCODKDND-ZMOGYAJESA-N 433.360 6.162 30 10 IKEE O=C(CSc1cccc2cccc(Cl)c12)N1CCS/C1=N\Cc1ccccc1 12533459 BSIQLIKULRYPPQ-GYHWCHFESA-N 426.994 5.717 30 10 IKEE COc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1c[nH]c2ccccc12 20881836 IWGOAFGVZQHBHE-JYRCXFKTSA-N 435.527 6.156 30 10 IKEE COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(Cl)c2)c1 21244930 BRJPBJWJDBAXIO-QYBDOPJKSA-N 430.935 6.328 30 10 IKEE CC(C)COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2OC(C)C)cc1 21248333 AJEWIEKQBJMGFL-REWPJTCUSA-N 447.575 5.513 30 10 IKEE O=[N+]([O-])c1cccc(-c2csc(N/N=C\c3ccc(OCc4ccccc4)cc3)n2)c1 32653943 APJKXXCBACKUKJ-OYKKKHCWSA-N 430.489 5.743 30 10 IKEE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CC)C2=O)cc1 33876373 LBJNAPCRWZIAOS-RCCKNPSSSA-N 447.585 5.325 30 10 IKEE C=CCNC(=O)N(Cc1cccc(C)c1)c1ccc(CC(=O)N(C)Cc2ccccc2)cc1 34680150 KQGZULYDUHCNJQ-UHFFFAOYSA-N 441.575 5.098 30 10 IKEE Cc1occc1C(=O)Nc1ccc(C(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 39850875 HKKPSXNHYKAYNL-ZRDIBKRKSA-N 442.427 5.905 30 10 IKEE Cc1cccc(/N=C2/S/C(=C/c3ccc(Br)o3)C(=O)N2C2CCCCC2)n1 39863642 UWJBQAYNGSGJHB-QRBKGRKMSA-N 446.370 5.682 30 10 IKEE C=CCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccc(C)cc2)cc1 39876388 OIAWJZYWFUEQHO-DEOSSOPVSA-N 441.458 5.555 30 10 IKEE C=CCOc1cccc([C@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2CCCC)c1 39913237 XVFUMHDJHJLNLK-QFIPXVFZSA-N 437.923 5.665 30 10 IKEE COc1ccc(CCN2COc3c(cc4c(c3C)O/C(=C\c3ccccc3C)C4=O)C2)cc1 41587871 MMWWDDUPIOTMJX-MYYYXRDXSA-N 441.527 5.323 30 10 IKEE Cc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccc3c(c2)OCO3)C4)cc1 41644339 XSRNUNWKKCSGRY-VROXFSQNSA-N 441.483 5.000 30 10 IKEE C=CCSc1nc2ccc(NC(=O)CSc3nc4ccccc4n3C)cc2s1 59048808 LGEXVGWUHOBRHR-UHFFFAOYSA-N 426.592 5.192 30 10 IKEE CCCCCCCCCCCCCc1ccccc1CCCCCCCCCCCCC 82062656 PODLNLIJRFYBJK-UHFFFAOYSA-N 442.816 11.394 30 10 IKEE COc1ccc(/C=C2/Oc3c(ccc(O)c3CN3CCCC[C@@H]3c3cccnc3)C2=O)cc1 97521423 NSPKOYAWBNWQTQ-XTVKVDEJSA-N 442.515 5.139 30 10 IKEE C=CCN1C(=O)/C(=C/C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)Sc2ccccc21 97629458 ICRVXRARNJZVFP-AEPTXUNZSA-N 440.568 5.295 30 10 IKEE CCCCCCCOc1ccc(NC(=O)CNc2ccc(NC(=O)C(C)C)cc2)cc1 100095963 UTPAQVZVSWJIJV-UHFFFAOYSA-N 425.573 5.681 30 10 IKEE FC(F)=C(F)OC(F)(F)[C@@](F)(Oc1c(F)c(F)c(F)c(F)c1F)C(F)(F)F 100424180 QYMQYPBAGDZNMY-VIFPVBQESA-N 430.091 5.634 30 10 IKEE CCCCCCCCCCCN1C(=O)[C@@H](C)CN(C(=O)c2ccccc2)c2ccccc21 101908380 JYESCABTRWPXBY-QHCPKHFHSA-N 434.624 6.847 30 10 IKEE CCCCCCCCCCn1c(CCCNC(=O)c2ccc(C)cc2)nc2ccccc21 102154640 GNKFRVOUGZGGIL-UHFFFAOYSA-N 433.640 6.848 30 10 IKEE CCOC(=O)c1ccc(NC(=S)N2/C(=N\c3ccc(Cl)cc3)SC[C@H]2CC)cc1 102909262 QGCYUXZZCQTEAX-JQBIEYAESA-N 448.013 5.729 30 10 IKEE Cc1cc(C)c2nc(N3C(=O)C(=O)/C(=C(\O)c4ccc(C)o4)[C@@H]3c3ccccc3)sc2c1 103112359 JXSVYLLCVNFEBG-NNWMPZTLSA-N 444.512 5.441 30 10 IKEE CN(C)/C=C\C(=O)c1sc(SCc2ccc(Cl)cc2)c2c1CC(C)(C)CC2=O 107075574 GRCOSDBMHHDVQA-KTKRTIGZSA-N 434.026 6.107 30 10 IKEE CCCN1C(=S)N[C@@H](c2ccc(Oc3ccc(C(C)C)cc3)cc2)C2=C1CCCC2=O 169929949 RRJCKSFAKFNOGG-VWLOTQADSA-N 434.605 6.251 30 10 IKEE CCN1C(=S)N[C@H](c2ccc(OCC(C)C)c(OC)c2)C(C(=O)c2ccccc2)=C1C 169931788 VGEPNBMPZMOUHZ-HSZRJFAPSA-N 438.593 5.138 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccc2OC)c1 169946045 ZSXISFDRKDPBRZ-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(CC)cc3)[C@H]2c2cccs2)c1 169981768 DDPNCWJJDURECP-JOCHJYFZSA-N 433.529 5.492 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2ccccc2)cc1 170028878 AEVCGINUVSEPPA-AREMUKBSSA-N 449.506 6.021 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(OC)cc3)[C@@H]2c2ccccc2)cc1 170054032 QJFWUVGQMAJZGX-RUZDIDTESA-N 441.527 5.079 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1c[nH]c2ccccc12)c1cccc(Cl)c1 170078300 PIUBOYLKSWZZJA-JOCHJYFZSA-N 434.923 5.732 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 170254094 UHAMGMKOPOYONC-DEOSSOPVSA-N 433.467 5.432 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@H]1c1c[nH]c2ccccc12 170255578 HEUVXZCHYKXFAO-HSZRJFAPSA-N 432.520 5.191 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(CC)cc1 170268296 ZSAWCLMXWVFAJC-OAQYLSRUSA-N 446.374 6.324 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1ccccc1C 170273052 TYAXAFVRSRYATH-DEOSSOPVSA-N 441.527 5.712 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1Cc1cccnc1 170274855 IINSVWFFFVWDGW-VWLOTQADSA-N 434.495 5.322 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3cccc(OCC(C)C)c3)[C@H]2c2ccco2)c1 170288934 GEEZTVRXRHJIAZ-HSZRJFAPSA-N 447.487 5.111 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@H]1c1ccc(C)o1 170302178 IIEYNYDCPNSFLE-QHCPKHFHSA-N 447.487 5.005 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2cccc(Cl)c2)ccc1OC 170440802 ZQDPPZHBSBDTME-JOCHJYFZSA-N 443.927 5.263 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2cc(C)ccc2O)cc1 170454224 LMDWFSIYMDIHAF-XMMPIXPASA-N 436.552 5.062 30 10 IKEE C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1C12CC3CC(CC(C3)C1)C2 253577929 XRFCUUKRJJMAOM-UHFFFAOYSA-N 434.436 6.531 30 10 IKEE FC(F)(F)c1ccc(Cl)c(-c2ccc(C=Nc3ccc(N4CCOCC4)cc3)o2)c1 254290480 MKTZMRFGFVBMNQ-UHFFFAOYSA-N 434.845 6.206 30 10 IKEE CC(C)COc1ccc(Cl)cc1C=Nc1sccc1C(=O)Nc1ccc(Cl)cc1 254395422 LBKMJNJDCYLPPQ-UHFFFAOYSA-N 447.387 7.093 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccc(O)c2)c1 526516705 RASGFPRWOZKZHB-XMMPIXPASA-N 426.472 5.110 30 10 IKEE CC(C)COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccccn2)cc1 526603614 ALOWAVYGKTYSEZ-XMMPIXPASA-N 425.488 5.045 30 10 IKEE CC(C)COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(F)cc2)cc1 526605803 STBNIWUQYZRQLS-RUZDIDTESA-N 442.490 5.789 30 10 IKEE CCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1ccc(OCc2ccccc2)cc1 526801355 LYTYPRCIWNOMRN-YUMHPJSZSA-N 446.551 5.733 30 10 IKEE CCOc1ccc(/C=N\n2cnnc2SCc2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 526805283 HYJSSZRGAXQSPP-CFRMEGHHSA-N 439.541 5.057 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccc(Cl)cc1 526821840 NMPWUKIHEXRJIM-QQXSKIMKSA-N 434.996 6.602 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1cccc(F)c1 526824200 PPUHEYOAVKBVQC-MSXFZWOLSA-N 437.371 6.241 30 10 IKEE N#Cc1ccc(C(=O)N(Cc2ccncc2)c2nc3c(C(F)(F)F)cccc3s2)cc1 585176442 QBZSKDZMLOPSQB-UHFFFAOYSA-N 438.434 5.429 30 10 IKEE COc1cc(F)cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)c1 698455554 DGCJHTZSJMOMDE-SFHVURJKSA-N 435.293 5.603 30 10 IKEE COc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)cc1F 698499237 YTHOUPYNGUTECC-KRWDZBQOSA-N 435.293 5.603 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@H](C#N)c1cc(Cl)ccc1Br 698941479 CDAJXKSAWVPJSF-CQSZACIVSA-N 428.718 5.605 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@H](C#N)c1ccc(Br)c(F)c1 698954826 CUUXRVBAXFRENU-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)N(C1CCC1)[C@@H](C#N)c1ccc(Br)c(Br)c1 712356597 FLCLDOULKCHTBI-HNNXBMFYSA-N 444.167 5.566 30 10 IKEE CC1(C)OB(c2cccc(Cn3ccc4cc(OCc5ccccc5)ccc43)c2)OC1(C)C 720929000 SVESMGLSFSYWBH-UHFFFAOYSA-N 439.364 5.568 30 10 IKEE CCN(CC)c1ccc(C=Nc2ccc(S(=O)(=O)Nc3c(C)cc(C)cc3C)cc2)cc1 1083915943 RDRKWQQGWYCZNS-UHFFFAOYSA-N 449.620 6.009 30 10 IKEE CCOC(=O)[C@]1(C#N)C(=O)/C(=C/C=C\c2ccccc2)SC1=Nc1ccccc1Cl 1088727158 PJNZJNXJYJYYTC-HATCAWMBSA-N 436.920 5.356 30 10 IKEE C=CC[C@H](Cn1c(C(C)C)nnc1N(C)Cc1nc(O)c2sccc2n1)c1ccccc1 1286678446 XDKIVAFOISEFHM-GOSISDBHSA-N 448.596 5.108 30 10 IKEE CCCCCCn1c2ccccc2c2nnc(NN=Cc3ccc(OC)cc3OC)nc21 1772764890 IDNPCHCOGYNHSF-UHFFFAOYSA-N 432.528 5.023 30 10 IKEE CCCSc1ccccc1C(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N 1859650175 LDYZHXVMUYTCGP-UHFFFAOYSA-N 438.552 7.240 30 10 IKEE Cc1sc(-c2ccccc2)nc1-c1ccc(Nc2nccc(-c3ccccc3)c2C#N)cc1 1859862843 TVILPAZHJQMAOR-UHFFFAOYSA-N 444.563 7.463 30 10 IKEE CCCOc1ccc(/C=C/C(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OC 1860728191 BAWLSVKYCUFZQF-OQLLNIDSSA-N 431.488 5.497 30 10 IKEE CCCOc1ccc(/C=C/C(=O)C(=O)Nc2ccc(OCC(C)C)cc2)cc1OCC 1860728356 KZVLXQYTYQSBMC-NTUHNPAUSA-N 425.525 5.130 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cccc(F)c1 1861379325 FXTMSKLHFMNHRF-DEOSSOPVSA-N 442.575 5.129 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)C(C)(C)Oc1ccc(Cl)cc1 1861463164 QNQBTHZMKPXDNQ-NRFANRHFSA-N 439.040 5.649 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)c1cccc(Oc2ccccc2)c1 1861754906 JIUNNJQLOPNQPC-RUZDIDTESA-N 438.612 6.244 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1cccc(C)c1 1862379953 PPDCKBBLXMFXAR-FQEVSTJZSA-N 448.346 5.307 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(C(C)C)cc1 1862380518 FHTXKWVBDSZVHS-NRFANRHFSA-N 446.374 6.495 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CCC)c1 1862386359 LVFXBXPVQBMOHY-HXUWFJFHSA-N 448.346 5.771 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2cc(Cl)cc(Cl)c2)cc1C 1862408052 CSTQGQWVQDTFMS-IBGZPJMESA-N 434.319 5.297 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(Cl)c1 1862446363 QJTPDFZWYUUFMG-HXUWFJFHSA-N 432.347 6.152 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCc2ccc(F)cc2)cc1 1862474764 UOAJOVKFHHAYPA-RUZDIDTESA-N 443.518 5.518 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccccc2F)ccc1F 1862501851 LVAUFQSOSKSNPI-QFIPXVFZSA-N 437.417 5.191 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862516332 LWLMKISJBSLWAM-DEOSSOPVSA-N 446.547 5.581 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(CC)cc1 1862529782 JZIODTXBXGJVEM-AREMUKBSSA-N 447.619 6.750 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCc3ccccc3)[C@H]2c2ccccc2)cc1 1862532661 IPSWGMRUNNCKBN-SANMLTNESA-N 439.555 5.850 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2[C@H](C)CC)c1 1862550104 CTVQSUYRDPCDHZ-CJAUYULYSA-N 447.575 5.731 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2ccc(Cl)cc2)c1 1862557005 IHIWBSDDCRQYHN-QHCPKHFHSA-N 446.934 5.318 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2cccc(F)c2)cc1 1862591371 XIQDCNGYHPOGFK-GYCJOSAFSA-N 445.490 5.433 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(O)cc2)cc1 1862662697 KIZMCFFSJDMBLJ-XMMPIXPASA-N 427.500 5.294 30 10 IKEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2C)cc1 1862674564 OYIWVHADJVDRGW-BXKMTCNYSA-N 445.490 5.482 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2Cl)c1 1862675066 ARIXVHLGMDQUHJ-HSZRJFAPSA-N 449.909 5.874 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2ccc(Cl)cc2)cc1 1862689409 QBNZGQCTIAYTIV-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc2ccccc12 1862719378 KRRCCAKTUAKCFL-DWXRJYCRSA-N 435.523 6.370 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2CC)ccc1O 1862729221 SZIKPAZAFLWHNP-XMMPIXPASA-N 443.499 5.056 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862757487 YUZVASWHWJBHFD-VFNWGFHPSA-N 436.508 5.269 30 10 IKEE N#Cc1ccc(N2C(=O)C(Nc3cccc4ccccc34)=C(c3ccccc3F)C2=O)cc1 1862926134 XIJLARHBZHVHEL-UHFFFAOYSA-N 433.442 5.247 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(OCC)cc2)C(=O)N(CC(C)C)C1=O 1863569867 KXLGHDHIBGYTNG-UHFFFAOYSA-N 428.617 5.552 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC[C@H]2CCCO2)=C(c2cc(C)ccc2C)C1=O 1863740250 SMJIJKYCADKXAL-JOCHJYFZSA-N 440.628 5.293 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2c(F)cccc2Cl)cn1CCC(C)C 1870636853 MIMBSVCSCLQHSF-UHFFFAOYSA-N 432.967 5.440 30 10 IKEE CCCCCCCCn1cc(OCCCCCCC)c(=O)cc1CNc1cccc(F)c1 1870836754 UCWPQZYWOSSCKU-UHFFFAOYSA-N 444.635 7.309 30 10 IKEE CCCCCCCOc1cn(Cc2ccco2)c(CNc2ccc(N(C)C)cc2)cc1=O 1870837410 DVPNYWHAKLUDCI-UHFFFAOYSA-N 437.584 5.517 30 10 IKEE CCCCCCCOc1cn(CCCOC(C)C)c(CNc2cc(C)ccc2C)cc1=O 1870837564 MKXHYUSKQAGALH-UHFFFAOYSA-N 442.644 6.242 30 10 IKEE C=CCn1cc(OCc2ccc(CC)cc2)c(=O)cc1CNc1ccc(N(CC)CC)cc1 1870889948 IWWWGFVEQBEZIH-UHFFFAOYSA-N 445.607 5.634 30 10 IKEE Cc1ccc(-c2nc(C#N)c(S(=O)(=O)Nc3ccc(Nc4ccccc4)cc3)o2)cc1 1871282070 NUFWAYHZKOYPQZ-UHFFFAOYSA-N 430.489 5.066 30 10 IKEE CCc1ccc([C@H](C)N2COc3cc(C)c4c(c3C2)O/C(=C\c2cccc(F)c2)C4=O)cc1 1871354225 LEAGCSRESJSIGC-BDFPJNNISA-N 443.518 6.226 30 10 IKEE Cc1cccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3cccc(Cl)c3)C4)C2=O)c1 1871355627 QUSPWZFHQQUFDG-KSEXSDGBSA-N 431.919 5.925 30 10 IKEE CC(=O)Nc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)c1 1871364745 HYFQUZYVDDIMTI-QFHNRLETSA-N 439.467 5.345 30 10 IKEE Cc1cc(OC(=O)CCc2ccc(Cl)cc2)cc2c1C(=O)/C(=C/c1ccc(F)cc1)O2 1871368831 QGDHWHUIXQTKHU-XKZIYDEJSA-N 436.866 5.942 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc2c(c1C)O/C(=C\c1ccccc1)C2=O 1871371034 HMRABXPYSRJCSY-ULJHMMPZSA-N 428.484 5.684 30 10 IKEE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871377171 YFHLNKNBKIEDKB-AMUWGTMJSA-N 432.859 5.584 30 10 IKEE CCOc1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871379924 NGEUWUMGJHMEPO-AQDYPACCSA-N 430.456 5.530 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc(/C=C/C(=O)O)cc3)cc(C)c2C1=O 1871381937 JXSUQUZWIKCLMM-FDTILGBMSA-N 440.451 5.237 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(CC)cc2)C3=O)c1 1871387236 LAPWIJRBBDEMHF-IWIPYMOSSA-N 428.484 5.792 30 10 IKEE Cc1cc(O)c(CN2CCCc3ccccc32)c2c1C(=O)/C(=C/c1c(F)cccc1Cl)O2 1871395403 QTBAGQBCCAAJTB-QRVIBDJDSA-N 449.909 6.062 30 10 IKEE Cc1ccc(OCCOc2ccc3c(c2)O/C(=C\c2ccccc2OC(F)F)C3=O)cc1 1871406484 PLUGAWVSJFNWSU-UCQKPKSFSA-N 438.426 5.670 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OCC(=O)Nc3cccc(Cl)c3C)ccc2C1=O 1871427187 RZGVMMPNZSNKKU-JAIQZWGSSA-N 439.920 5.652 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(C(C)C)cc2)cc2c1C(=O)/C(=C/c1ccc(F)cc1)O2 1871435581 SUOHGAHZQBUZHL-CFRMEGHHSA-N 445.490 5.891 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OCc3cccc(Oc4ccccc4)c3)c2C)C1=O 1871436609 HLFAHEHCJSMBJA-VEILYXNESA-N 448.518 7.291 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCc4cccc(Oc5ccccc5)c4)cc(C)c3C2=O)cc1 1871436858 TUOWQMHYAAHSAP-QRQIAZFYSA-N 448.518 7.291 30 10 IKEE CCc1cccc(CC)c1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccccc1)C2=O 1871455303 KXKRCNGIAMQIEK-IWIPYMOSSA-N 441.527 5.754 30 10 IKEE CCCCCCCCCCN=c1nc(N2CCC[C@@H](C)C2)[nH]c(=Nc2cccc(C)c2)[nH]1 1871650639 GWQZIWLUNSGILF-JOCHJYFZSA-N 438.664 5.556 30 10 IKEE CCCOc1c(OC)cccc1-c1nc2ccc(C(=O)Nc3ccccc3C#N)cc2[nH]1 1872735440 VBZITOHOEQVODN-UHFFFAOYSA-N 426.476 5.151 30 10 IKEE N#C[C@H](C(=O)C12CC3CC(CC(C3)C1)C2)c1nc(-c2ccc(Br)cc2)cs1 1872764648 TZCOQDFNNCDWRH-IYZRDUGGSA-N 441.394 5.965 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccccc3C(C)C)n2)cc1 1872769980 FKEAWWNUJNDFLK-PGRDOPGGSA-N 448.588 6.366 30 10 IKEE CC(C)c1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(Cl)c(Cl)c3)n2)cc1 1872774954 HAINGBBEWRHWAQ-QGZVFWFLSA-N 429.372 6.659 30 10 IKEE CCCCCCCCNC1=C(c2cc(F)cc(F)c2)C(=O)N(Cc2cccs2)C1=O 1873112791 CCEGKMNRUCQSDK-UHFFFAOYSA-N 432.536 5.257 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(F)c(F)c2)cc2c(NCCCCCCCC)ncnc21 1873621318 PRXLRHWVBWZOSZ-UHFFFAOYSA-N 441.526 5.920 30 10 IKEE Cc1c(CC(=O)Nc2cccc(C#N)c2)c(=O)oc2c(C)c3occ(C(C)(C)C)c3cc12 1873867840 ZQNZYUNMIXUTOP-UHFFFAOYSA-N 428.488 5.506 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)N[C@@H](C)c3ccc(CC)cc3)c(=O)oc2c1C 1873922694 HZPFTHZPXGAJKU-IBGZPJMESA-N 433.548 5.347 30 10 IKEE CCCCCCCCCCNC(=O)CC1(CN2Cc3ccccc3C2=O)CCCCC1 1873936928 SSFAGZISAKFRGC-UHFFFAOYSA-N 426.645 6.240 30 10 IKEE CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1cccc(OC)c1 1874202531 HPBBDKVRYKMKRV-MFKUBSTISA-N 438.597 5.466 30 10 IKEE C=C(C)CSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874269964 YAXAESAVOPDRSS-MFKUBSTISA-N 443.532 5.481 30 10 IKEE Cc1ccc(OCc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccccc2)cc1C 1874319563 XSXWGYKWWJTOHO-JFLMPSFJSA-N 446.551 5.788 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCOc3ccccc3)n2/N=C/c2ccc[nH]2)c1 1874346180 BGYOCQLMFRFIQL-WGOQTCKBSA-N 431.565 5.019 30 10 IKEE Cc1ccc(CSc2nnc(COCc3ccccc3)n2/N=C/c2ccc(F)cc2)cc1 1874352573 QSVURRBGXFMFNN-JFLMPSFJSA-N 446.551 5.617 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2-c2ccccc2Cl)cc1 1874366783 UHVHQARILTZLHY-VULFUBBASA-N 436.943 6.221 30 10 IKEE Clc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C/c2ccccc2)cc1 1874404889 UZGAOYGTDIJXTF-YZSQISJMSA-N 432.980 5.891 30 10 IKEE Oc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCCc2ccccc2)cc1O 1874408011 AYACPNLFTVISHK-KOEQRZSOSA-N 436.581 5.029 30 10 IKEE CSc1nnc(-c2cccs2)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1874420287 ZCWRJNQMRQCDIK-YDZHTSKRSA-N 440.981 5.843 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2-c2ccccc2)c1 1874428674 WEMDSGUNSUCHSR-WPWMEQJKSA-N 442.588 6.135 30 10 IKEE Clc1cccc(/C=N/n2c(SCc3ccccc3Cl)nnc2-c2ccccc2)c1 1874428710 YAGIEKGEWJNPCR-AFUMVMLFSA-N 439.371 6.426 30 10 IKEE FC(F)(F)c1ccc(/C=N/n2c(SCCc3ccccc3)nnc2C2CCCC2)cc1 1874455784 LARLTIOUUKHRMB-JVWAILMASA-N 444.526 6.172 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C(C)(C)C)cc1 1874485289 NIUOHKCAWZUEIU-WGOQTCKBSA-N 430.577 5.912 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2C2CC2)cc1 1874521501 WGFNHLABNZOZEX-LGUFXXKBSA-N 434.609 5.942 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(C)n2/N=C/c2c(Cl)cccc2Cl)c1 1874529763 ZTGUUDURANRNIO-AUEPDCJTSA-N 448.379 5.123 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(C)n2/N=C/c2ccc(Cl)c(Cl)c2)c1 1874530428 INQCSPJEYIHEKK-AUEPDCJTSA-N 448.379 5.123 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1/N=C/c1ccco1 1874541628 KDWZKUUAJCYDJK-LPYMAVHISA-N 437.352 5.350 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(S)nnc2Cc2cccc3ccccc23)cc1 1874565806 WCFIEJJIULAHMB-NLRVBDNBSA-N 430.577 5.762 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2C)cc1C 1874574057 SCVFCURSRLBZMG-JLHYYAGUSA-N 429.516 5.534 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC)c2OCc2ccccc2F)cc1C(C)C 1874585439 TVLHQHWLSWWVKZ-BUHFOSPRSA-N 448.534 6.750 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)c1OCc1cccc(Cl)c1 1874585919 MEQCHTSQMHFLRT-VAWYXSNFSA-N 436.935 6.449 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c(Br)c1OCCO 1874593560 PUGZFLAFDAXPFE-QHHAFSJGSA-N 446.124 5.032 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC)c(OCc3cc(C)ccc3C)c2)c1 1874596944 LYRWMJNLUGFEHI-DHZHZOJOSA-N 432.516 5.804 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OCc3ccc(Cl)cc3)c2)c(OCC)c1 1874600461 NVIBCPZCJYCIFU-XNTDXEJSSA-N 436.935 6.613 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(OC)c2)c1 1874605284 UVUMYZXBCIQDPJ-MDZDMXLPSA-N 443.326 6.486 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OC(=O)c1c(F)cccc1Cl 1874699114 DXLMGJCGWXZKBH-CSKARUKUSA-N 445.273 6.256 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2ccc(C)cc2)cc1OC(=O)c1ccco1 1874702733 HCSCKXFLMCHLRB-MDZDMXLPSA-N 441.277 5.474 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OC(=O)COc3cccc(C)c3C)c2)c1 1874706588 PJYFUETXZRLHNX-ACCUITESSA-N 446.499 5.201 30 10 IKEE COc1ccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c(C)c3C)c2)cc1 1874711714 GPXJYEBNDWUENY-XNTDXEJSSA-N 444.527 5.755 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)CSc3ccccc3)c2)c(C)c1C 1874712343 TYNNTXMRANGNMV-WYMLVPIESA-N 432.541 5.906 30 10 IKEE CCOc1cccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)cc3OC)c2)c1 1874714621 FXEYSXPWNIDOPU-SDNWHVSQSA-N 432.472 5.218 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1OC(=O)Cc1ccccc1 1874717810 LQOSYVWIPBJPJA-YRNVUSSQSA-N 441.310 6.046 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccc(F)cc2F)c1 1874718852 ZKKYQVXARNPCGD-WEVVVXLNSA-N 428.818 5.742 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](C)CSc2nnc(Cc3cccc4ccccc34)n21 1875056959 QAOPDOKUUSKBDS-IBGZPJMESA-N 436.625 5.732 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(OC)c1OC(=O)CCOC 1875096044 TYATXGMSMLMKFL-JLHYYAGUSA-N 430.500 5.415 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3cccc(C)c3C)c(OC)c2)cc1 1875101109 JZMJMZXOEARYGN-RVDMUPIBSA-N 444.527 5.755 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc4c(c3)OCO4)c(OC)c2)cc1 1875101372 MTGCPGPHPRZESH-IZZDOVSWSA-N 430.456 5.102 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Br)c(OC(=O)C3CCC3)c(OC)c2)cc1 1875102823 GPDJSHLUGTWCFT-FMIVXFBMSA-N 443.337 5.622 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc1 1875107533 VFMIUJNDFDBGHX-RVDMUPIBSA-N 430.500 5.447 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3F)c(Cl)c2)cc1C 1875107605 ZATPUJKIRMBOOE-JXMROGBWSA-N 438.882 5.840 30 10 IKEE Cc1cccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2[N+](=O)[O-])c1C 1875127173 RHUSNXOWAFNQQG-ACCUITESSA-N 431.444 5.092 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)c1ccc(-c2ccccc2)cc1 1875128538 ISVYULLJFCAKCE-CPNJWEJPSA-N 448.518 6.868 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2OC)CC1 1875133819 DGDSXLLONIMLCQ-LFIBNONCSA-N 448.603 7.110 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1)c1ccc(F)cc1 1875157927 VPKNREWWYYFEBW-KGVSQERTSA-N 425.799 5.503 30 10 IKEE CCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc1Br 1875162863 OMMSRVRTCNRISD-VQHVLOKHSA-N 445.353 6.101 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)c1ccc(F)cc1 1875166516 KSOWURJYDSKGCH-LFYBBSHMSA-N 434.463 5.575 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3cc(C)cc(C)c3OC)cc2)c1 1875169589 OURAKLNVGJLCMI-GXDHUFHOSA-N 444.527 5.755 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)c3cccc(C)c3)cc2)c1 1875171576 CWJMNUNSGSBEHQ-RVDMUPIBSA-N 430.500 5.908 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)cc3)cc2)c(OC)c1OC 1875194519 UQYGIUOLYPYNSH-RVDMUPIBSA-N 446.499 5.065 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(Oc4nccs4)cc3)ccc21 1890945667 IRQJUQNQGGDRKW-UHFFFAOYSA-N 449.532 5.125 30 10 IKEE Cc1ccccc1Oc1ccc(S(=O)(=O)N2CCC(C#N)(c3ccccc3)CC2)cc1 1891743829 JGHYZYCRRLPYSH-UHFFFAOYSA-N 432.545 5.033 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1 1922068570 JLCFEFOKLKILJZ-LOSJGSFVSA-N 438.612 5.436 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@](C)(C#N)CNC(=O)OC(C)(C)C(C)(C)C 1944408957 UNTPOLGYFRPYJB-XMMPIXPASA-N 431.577 5.257 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1944559451 RFONAEDGTNYOAV-SBUREZEXSA-N 449.617 5.462 30 10 IKEE N#Cc1ccccc1[C@H](CCC(=O)O)CNC(=O)OCC1c2ccccc2-c2ccccc21 1951561866 PMVQLIYBJDENQP-LJQANCHMSA-N 440.499 5.045 30 10 IKEE CC(C)(C)OC(=O)Nc1c(Br)cc(Br)cc1[C@H]1C[C@]1(C)C=O 1952044454 MKOIWMZGHXCQLS-BDJLRTHQSA-N 433.140 5.251 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C1 1997235159 YJHNSABPZJTZHK-SBUREZEXSA-N 449.617 5.415 30 10 IKEE CC[C@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2014642027 BNTRRBXYHPSVNC-WZONZLPQSA-N 433.524 5.249 30 10 IKEE CC(C)(C)OC(=O)N(CCC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)Cc1ccccc1 2060819432 CNLYOGAODBKCGT-UHFFFAOYSA-N 447.457 5.343 30 10 IKEE N#C[C@@H]1CCCC[C@H]1NCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071263973 BUKDMIVOQQAYAU-IZZNHLLZSA-N 426.560 6.017 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)[C@@H]1C(C)(C)C 2076161204 JTLFXZDIWWZNDE-UQBPGWFLSA-N 449.636 5.874 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(C)sc(C)c1Br 2087631056 DEIXJYBWCNQWEE-YJBOKZPZSA-N 445.467 6.028 30 10 IKEE N#Cc1ccc(NCc2c(Br)cccc2Br)cc1Br 2094102494 PSDWPYWZBIDDKG-UHFFFAOYSA-N 444.952 5.458 30 10 IKEE C=CCN(C[C@@H](NCCC)c1c(F)cc(C)cc1Br)C(=O)OC(C)(C)C 2116827732 DSOSRUOBUJNVNK-QGZVFWFLSA-N 429.374 5.360 30 10 IKEE CCCN[C@@]1(C#N)C[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)C[C@@H](CC)C1 2118769538 KWKDAMLAABDANV-QUFBTCJSSA-N 446.683 5.461 30 10 IKEE C=CCN(CCC(=O)Nc1ccc2ccccc2c1Br)C(=O)OC(C)(C)C 2180995123 ICEXLBYNLKOMDV-UHFFFAOYSA-N 433.346 5.354 30 10 IKEE CC(C)(C)OC(=O)Nc1ccccc1OCCNc1cc(Br)ccc1C#N 2183229884 DGYZJILRNCGUEC-UHFFFAOYSA-N 432.318 5.159 30 10 IKEE CC(C)(C)OC(=O)N[C@](C)(C1CCCCC1)[C@H](O)C#Cc1ccccc1Br 2235722430 ADBUJVATKLABCH-DENIHFKCSA-N 436.390 5.025 30 10 IKEE CCCCCCCC[C@H](C)Nc1c(Br)cc(Cl)cc1Br 2240653385 FYLDQVBLSGARND-LBPRGKRZSA-N 425.636 7.416 30 10 IKEE C=C(C)CCCC[C@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)NCCC 2250141140 MJJULXCLHWTAEL-XMMPIXPASA-N 431.665 5.518 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(OC)c(Br)s1 2263736302 QCROBGGHDVEIHB-IUODEOHRSA-N 433.412 5.029 30 10 IKEE Cc1cc(N2C(=O)C(=O)C(=C(O)c3cc4ccccc4o3)[C@H]2c2cccc(Cl)c2)no1 2296598776 JEOOHVQHZYKLPK-HXUWFJFHSA-N 434.835 5.009 30 10 IKEE C=CCOc1ccc(C=C2N=C(c3ccc(Cl)cc3Cl)OC2=O)c(OCC=C)c1 2297100666 WRKZOZGRMJORQL-UHFFFAOYSA-N 430.287 5.468 30 10 IKEE CC(C)COC(=O)c1cc(-c2ccc(C=C3C(=O)ON=C3c3ccccc3)o2)ccc1Cl 2297315825 PSOSDOPBGNGVHK-UHFFFAOYSA-N 449.890 5.757 30 10 IKEE Cc1ccc(N=C2NC(=O)C(=Cc3ccc(-c4ccccc4Cl)o3)S2)cc1Cl 2297366785 KTHSSYVEJXEAMZ-UHFFFAOYSA-N 429.328 6.453 30 10 IKEE COc1ccc(N=C2SC(=Cc3cc(Cl)c(O)c(OC)c3)C(=O)N2CC(C)C)cc1 2297462790 JIPUVBHDVDMKSR-UHFFFAOYSA-N 446.956 5.323 30 10 IKEE CC[C@]1(C)N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 2300007836 QUZJUIQSIDGEOX-GOTSBHOMSA-N 449.617 5.557 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O)c1ccccc1Br 2314437460 MYDWZNQAZDRRAZ-UHFFFAOYSA-N 447.284 5.841 30 10 IKEE CCN1C(=O)C(=Cc2ccc(Cl)cc2Cl)SC1=Nc1ccc(C(=O)O)c(O)c1 2314926348 HBRMMDHRAATCNS-UHFFFAOYSA-N 437.304 5.021 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCC3(CN(C(=O)OC(C)(C)C)C3)C2)cc1 2317579657 ZAOXZBNBYQEGGE-VWLOTQADSA-N 441.572 5.420 30 10 IKEE C[C@H]1CCCC[C@@H]1N1COc2ccc3c(c2C1)OC(=Cc1ccc(Cl)cc1Cl)C3=O 2322145973 HVOXMRJCAFSKAJ-XOBRGWDASA-N 444.358 6.340 30 10 IKEE O=C1C(=CC=Cc2ccccc2)Oc2c1ccc1c2CN(Cc2nc3ccccc3[nH]2)CO1 2322192758 HDSJXYHPCWTKNW-UHFFFAOYSA-N 435.483 5.087 30 10 IKEE COc1ccc([C@@H](C)N2COc3cc(C)c4c(c3C2)OC(=Cc2ccccc2C)C4=O)cc1 2322248841 RAFJEQBTIHJDIT-LJQANCHMSA-N 441.527 5.841 30 10 IKEE Oc1ccc2ccccc2c1C=Nn1c(S)nnc1COc1cc(Cl)ccc1Cl 2322259204 VDJZVLSCEVZCLD-UHFFFAOYSA-N 445.331 5.194 30 10 IKEE COC(=O)c1ccc(COc2ccc(Cl)cc2C=CC(=O)c2cc(C)ccc2OC)o1 2322646594 ZIFWYBNKWRNNAU-UHFFFAOYSA-N 440.879 5.512 30 10 IKEE Cc1cc(OC(=O)c2ccccc2Cl)cc2c1C(=O)C(=Cc1cn(C)c3ccccc13)O2 2322724805 VXSAVGBMUNKKGB-UHFFFAOYSA-N 443.886 5.976 30 10 IKEE CCOc1ccc(OCC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1 2323076068 CAMNYGGHWPYVND-UHFFFAOYSA-N 448.446 5.133 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)cc(Cl)c1OCc1ccc(F)cc1 2323499460 MPSGPVMTMKYMDU-UHFFFAOYSA-N 440.898 6.362 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)c1 2323511163 XZBLJCASNABUKM-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE CCOc1c(Br)cc(C=CC(=O)c2cccc(Cl)c2)cc1Br 2323766615 XNXDTOYDSIILLB-UHFFFAOYSA-N 444.550 6.160 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)N[C@H](C)c1ccccc1 2323800865 ZYMAAPPFTZJFRP-GOSISDBHSA-N 449.934 5.501 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1F 2323802539 BRTHPIMDEZHXMJ-UHFFFAOYSA-N 439.870 5.401 30 10 IKEE COc1ccccc1-c1csc(NN=Cc2cc(Br)c(OC)c(OC)c2)n1 2323840153 RKXBZJDWMXCRQZ-UHFFFAOYSA-N 448.342 5.044 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 2323936920 FMAGTLVCUVNRFF-UHFFFAOYSA-N 436.935 6.613 30 10 IKEE Cc1cc(O)c(CN2CCC[C@H](C)C2)c2c1C(=O)C(=Cc1ccc(-c3ccccc3)cc1)O2 2324067869 OFUGIYINUPMJQB-IBGZPJMESA-N 439.555 6.216 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OCc3ccccc3C)c(OC)c2)c1 2324405562 PPGLZLXWKGUKMR-UHFFFAOYSA-N 446.543 6.276 30 10 IKEE CCOc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccco2)C3=O)cc1 2324521482 DLOCAKBVIOUFLQ-INIZCTEOSA-N 433.460 5.009 30 10 IKEE CCc1ccc(OCCCOc2cc(C)c3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1 2324662247 IEBQMPPSMNBOTG-UHFFFAOYSA-N 432.491 6.161 30 10 IKEE Cc1c(OCC(=O)NC2CCCCC2)ccc2c1OC(=Cc1ccc(C(C)C)cc1)C2=O 2325327320 ZSRMZDUWUXVZTI-UHFFFAOYSA-N 433.548 5.562 30 10 IKEE COc1cccc(C=C2Oc3cc(OCCc4ccc(C)cc4)cc(C)c3C2=O)c1OC 2325369802 FWLUOGVWFSNYED-UHFFFAOYSA-N 430.500 5.558 30 10 IKEE COc1ccccc1C=Nn1c(Cc2ccccc2)nnc1SCc1ccccc1F 2325485638 DCPOALRTIJMUOV-UHFFFAOYSA-N 432.524 5.191 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccccc1C(=O)O 2325559096 JVWDGIXRDJKDQD-UHFFFAOYSA-N 449.363 5.410 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(C(F)(F)F)cc1 2325565384 OXWSYWURDOZPKK-UHFFFAOYSA-N 438.906 6.077 30 10 IKEE CCc1cccc(CC)c1NC(=O)COc1ccc2c(c1)OC(=Cc1sccc1C)C2=O 2325718605 HYGJSYNZZDLLQT-UHFFFAOYSA-N 447.556 5.815 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1OC(=O)c1ccc(F)c(F)c1 2325727619 ICSWIYMEWZXNCL-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1c(Cl)cccc1Cl)C2=O)Nc1ccccc1 2325739876 XVPCMULWHUUIQX-UHFFFAOYSA-N 440.282 5.627 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccccc3)cc(C)c2C1=O 2325740247 WCRKGWFEBXGYOV-UHFFFAOYSA-N 429.472 5.027 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OC(=O)COc2ccc(Cl)cc2)c1 2325743413 MNFOLXHCQWUKCJ-UHFFFAOYSA-N 436.891 5.538 30 10 IKEE CCc1ccc(C(=O)Oc2cccc(C=CC(=O)c3cc(C(C)C)c(OC)cc3C)c2)cc1 2325754137 JTIDIJZASGFATD-UHFFFAOYSA-N 442.555 6.805 30 10 IKEE CCOc1ccc(C=Nn2c(C)nnc2SCc2ccccc2Cl)cc1OCC 2326540992 PHBHDDOMQYMEAS-UHFFFAOYSA-N 430.961 5.212 30 10 IKEE C(=Nn1c(CCc2cccc3ccccc23)nnc1SCc1ccccc1)c1ccccn1 2326596906 JMQWPXYBRWYCTG-UHFFFAOYSA-N 449.583 5.786 30 10 IKEE CCCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccc([N+](=O)[O-])cc1 2327288894 MKTBPNKQXDVFPR-UHFFFAOYSA-N 439.541 5.075 30 10 IKEE Cc1ccc(C)c(CSc2nnc(COc3ccc(C)c(C)c3)n2N=Cc2ccco2)c1 2328794405 QLLGYXNATYTQJJ-UHFFFAOYSA-N 446.576 5.858 30 10 IKEE CCCSc1nnc(COc2ccc(C)cc2C)n1N=Cc1cn(C)c2ccccc12 2328904069 IEHIDRQQZJZWGC-UHFFFAOYSA-N 433.581 5.350 30 10 IKEE Cc1ccc(C=Nn2c(Cc3ccc(C)c(C)c3)nnc2SCc2cccc(C)c2)cc1 2329405482 FAQFHKDIMKELJJ-UHFFFAOYSA-N 440.616 6.277 30 10 IKEE CCCCOc1ccc(C=Nn2c(Cc3ccc(C)cc3)nnc2SC)cc1OCC 2329947355 FGELRGGXSBRFDI-UHFFFAOYSA-N 438.597 5.359 30 10 IKEE Cn1cccc1C=Nn1c(Cc2ccccc2)nnc1SCc1c(F)cccc1Cl 2330522048 ZPMAMPDAFAOTDX-UHFFFAOYSA-N 439.947 5.174 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)C=Cc2ccc(-c3cccnc3)cc2)c1 2330600645 ZUYBXVCXUQOWOU-UHFFFAOYSA-N 443.506 5.812 30 10 IKEE CCCSc1nnc([C@@H]2CCCO2)n1N=Cc1ccc(OCc2ccccc2C)cc1 2330975583 AZSOZMKQEYKVOE-QFIPXVFZSA-N 436.581 5.401 30 10 IKEE Cc1ccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2[C@@H]2CCCO2)cc1 2330979532 BXKPBSOLSFOYDT-IBGZPJMESA-N 447.391 5.919 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)cc([N+](=O)[O-])c1OC(=O)CC(C)(C)C 2331071811 MASYAQIHQSKWPY-UHFFFAOYSA-N 441.480 5.240 30 10 IKEE Cc1cccc(C)c1OCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1 2331138448 PLDWAXUJLNANSO-UHFFFAOYSA-N 448.946 6.618 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC(=O)COC 2331251338 RIALPUGUOFLXQM-UHFFFAOYSA-N 435.303 5.178 30 10 IKEE CCCOc1ccccc1C=Nn1c(CCOC)nnc1SCc1ccccc1Cl 2331282352 JDHWXYZSJYYLNP-UHFFFAOYSA-N 444.988 5.084 30 10 IKEE COc1cc(C=Nn2c(CC(C)C)nnc2SCc2cccc3ccccc23)ccc1O 2331463924 DUPQXELNZGHDGR-UHFFFAOYSA-N 446.576 5.519 30 10 IKEE CCCSc1nnc(COC)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2331592406 GBNZFCJRZHZKOE-UHFFFAOYSA-N 430.961 5.041 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)cc2)c1 2331643772 PHIYZGFSCRGNCM-UHFFFAOYSA-N 426.556 6.581 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2C2CC2)cc1OCC 2331726644 NSLPICLNAPPPJR-UHFFFAOYSA-N 440.544 5.267 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(Cl)c2)ccc1OC(=O)C1CCCC1 2331834726 GLTVGLAQWLLJTF-UHFFFAOYSA-N 428.912 5.739 30 10 IKEE Cc1c(Cl)cccc1-n1nnc(C#N)c1NC(=O)C=Cc1ccc(Cl)cc1Cl 2332187307 IESUDGVBQGJBHF-UHFFFAOYSA-N 432.698 5.060 30 10 IKEE CC(C)(C)c1cc(/C=N/N/C(=N/c2ccccc2)c2ccccn2)cc(C(C)(C)C)c1O 3114222 MCQMZBZOQRAQSD-RDRPBHBLSA-N 428.580 6.084 30 10 IKEE Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)CCc3ccc(Cl)cc3)cc(C)c2c1 12241303 BKINCYGALYAHSF-UHFFFAOYSA-N 443.938 5.442 30 10 IKEE CCc1ccc(/C=N/n2c(-c3ccc(C)cc3)cs/c2=N\c2ccc(Cl)cc2)cc1 12311351 PTWXMGDMXSWVNW-DGTJGKBUSA-N 431.992 6.855 30 10 IKEE Cc1ccc(NC(=S)/N=C(\NCc2ccccc2)Nc2nc(C)cc(C)n2)c(Cl)c1 14156587 XIWRATSNDBEALV-UHFFFAOYSA-N 438.988 5.010 30 10 IKEE Cc1ccc(C(=O)C[C@H]2S/C(=N\c3cccc(C)c3)N(c3cccc(C)c3)C2=O)cc1 15055175 LHSQWRCVIHKVIU-IHZKLZTASA-N 428.557 6.021 30 10 IKEE N#Cc1cc2[nH]c3ccccc3c2nc1N(c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 20036514 SQFKFEONBNPGQF-UHFFFAOYSA-N 439.862 6.619 30 10 IKEE CC(C)COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccn2)cc1 20883121 VYXDUGHIDHLRFJ-PIIWDFAUSA-N 439.559 6.096 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(F)cc1)[C@@H]2c1cccs1 21356127 TXLDGBORDSRBLL-XMMPIXPASA-N 446.547 6.344 30 10 IKEE Cc1cccc(N/C(=N\C(=O)c2ccccc2Cl)NCCc2c[nH]c3ccccc23)c1C 32943455 VPVNDOHUVQGNRL-UHFFFAOYSA-N 444.966 5.879 30 10 IKEE CCCCc1c(-c2ccc(C#N)cc2)c(C(N)=O)c(C)n1CCc1ccc(OC)c(OC)c1 35062783 UEKXGMFMLFQLSM-UHFFFAOYSA-N 445.563 5.037 30 10 IKEE COc1ccc(CCC(=O)Nc2sc(=S)c3c(c2C#N)CC[C@H](C)C3)cc1OC 41018803 IKSRPWYOGNMXLO-ZDUSSCGKSA-N 428.579 5.063 30 10 IKEE COc1cccc2cc(C(=O)Oc3cc(C)c4c(c3)O/C(=C\c3ccc(C)o3)C4=O)oc12 41354083 HBKSCPNHVWRMNE-JAIQZWGSSA-N 430.412 5.487 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1cn(C)c4ccccc14)O3)CN(Cc1ccco1)CO2 41650682 IREHZFVZWPMHML-KSEXSDGBSA-N 426.472 5.048 30 10 IKEE N#CCCn1cc(/C=C\C(=O)N2CCCC[C@H]2c2nc3ccccc3s2)c2ccccc21 96912765 NWRWOYNTZGUVHM-DSTYWPJMSA-N 440.572 5.932 30 10 IKEE CCCCCCCOc1cccc(NC(=S)NC(=O)c2ccccc2Br)c1 100246641 CIULIXFGBBEZAN-UHFFFAOYSA-N 449.414 5.925 30 10 IKEE CCCCCCCOc1ccc(C(=O)N(Cc2ccco2)Cc2ccc([C@@H]3C[C@H]3C)o2)cc1 101909943 LZCGSEKGHCUKRQ-QFQXNSOFSA-N 449.591 7.188 30 10 IKEE CCCCCCCCCCCCCCCCCCNC(=O)c1ccc2c3c(cccc13)CC2 103747895 SJFAGDOAAWEKJJ-UHFFFAOYSA-N 449.723 8.930 30 10 IKEE Cc1onc(-c2ccccc2)c1C(=O)N1CCS/C1=N/c1ccc(Cl)c(Cl)c1 105070539 BBKWAHJNNVAMPB-BSYVCWPDSA-N 432.332 5.834 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccc(N(C)C)cc2)c1 169952979 MQQIHAKNFCDBBC-DEOSSOPVSA-N 444.506 5.291 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccc(O)cc2)c(C)c1 169962958 NXKZSQFBWQNUKJ-QFIPXVFZSA-N 433.891 5.445 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(F)cc2)=C(N2CCCc3ccccc32)C1=O 169986201 TYEXTTFVMFJSOT-UHFFFAOYSA-N 434.555 5.719 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2cccs2)c1 169987776 IUSVOPHOWNEFJH-FQEVSTJZSA-N 425.456 5.426 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@@H]1c1ccccn1)c1cccc(Cl)c1 169993144 RVPHDUXWIWKFQS-LJQANCHMSA-N 443.261 5.310 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@H]1c1cccc(O)c1 170080749 RZDQFLHKZYCFOL-DEOSSOPVSA-N 443.499 5.109 30 10 IKEE CCOc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccco2)c1 170097776 ZWGNSBVEQQVCFH-HSZRJFAPSA-N 443.455 5.203 30 10 IKEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccco1)c1ccc(Cl)cc1 170098174 OOVONVRUHYJJIQ-GOSISDBHSA-N 436.876 5.326 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccc(C)o2)c1 170102502 AFXYWPOPEOVNRI-OAQYLSRUSA-N 437.879 5.029 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1c1cccc(Cl)c1 170106956 ZKBZDZKTOVKMQY-FQEVSTJZSA-N 449.915 6.239 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCCC)[C@@H]2c2cccc(C)c2)cc1 170147520 QMOZWBVFZHLJQD-RUZDIDTESA-N 449.591 6.333 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(C(C)(C)C)cc1 170149901 UOLVQTSUKXHAJC-VWLOTQADSA-N 441.571 6.516 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccncc1)c1ccc(Cl)c(Cl)c1 170203407 RJXGJTHYNIWNGB-IBGZPJMESA-N 425.271 5.171 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2ccccc2)cc1Cl 170227752 PTGDLACFVPUGRQ-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccccc2)cc1OC 170228069 WQUONOBQDBCSMO-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccccc2F)c1 170248642 GNZXUUHQOBIOOO-VOIUYBSRSA-N 443.474 5.240 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1c1ccc(F)cc1 170271030 VWQOQPXVTHNFOD-HSZRJFAPSA-N 426.447 5.398 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1CCCOC(C)C 170278106 VZYNLQBJAJNMDR-NRFANRHFSA-N 427.928 5.042 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2Cc2ccco2)o1 170307035 RQVZDUUJEDIBPK-GOSISDBHSA-N 432.259 5.266 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cc4cc(Cl)ccc4o3)=C(O)C(=O)N2Cc2ccccn2)o1 170307436 ZAJHYFLPMFJNIH-NRFANRHFSA-N 448.862 5.161 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2sccc2C)cc1C 170314027 LPJIZDNBNCTFOA-FQEVSTJZSA-N 437.492 5.296 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc(OC(C)=O)c1 170321045 LVCSPUJWKVHSTI-XMMPIXPASA-N 443.499 5.144 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)c1 170332372 CCWQSTPXGQBXOC-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(OC(C)C)cc2)c1 170346536 UCIMWECRNDKNEM-QFIPXVFZSA-N 449.528 5.327 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccc(O)c(Cl)c1)c1ccccc1 170368908 ZIOPRHLIRVAGTG-FQEVSTJZSA-N 440.282 5.482 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1cccc(O)c1)c1ccccc1 170387539 ZORAEHBPHIJPDB-HXUWFJFHSA-N 439.389 5.194 30 10 IKEE Cc1ccc(/C=C2\SC(=Nc3ccc(C)c(C)c3)N(c3ccc(C)c(C)c3)C2=O)cc1C 252603421 FQVLSWDMJUPTCT-MUBJZNLVSA-N 440.612 7.346 30 10 IKEE O=[N+]([O-])c1ccc(Cl)c(-c2ccc(C=Nc3c(-c4ccco4)nc4ccccn34)o2)c1 252619165 LNQWIURCBDNZKW-UHFFFAOYSA-N 432.823 6.167 30 10 IKEE O=[N+]([O-])c1ccc(C=NNc2n[nH]c3nnc(-c4ccccc4)c(-c4ccccc4)c23)cc1 254524643 NJXRMPOENQHROD-UHFFFAOYSA-N 435.447 5.041 30 10 IKEE O=C(Nc1ccc(Cl)cc1)c1c(N=Cc2ccccc2Cl)sc2c1CCCC2 254658368 NYXOCHVERNNHLF-UHFFFAOYSA-N 429.372 6.937 30 10 IKEE Cc1cc([N+](=O)[O-])c(C)cc1-c1ccc(C=Nc2c(C)n(C)n(-c3ccccc3)c2=O)o1 254701471 BNFMYPUFWPKDLP-UHFFFAOYSA-N 430.464 5.020 30 10 IKEE C=C(CC[C@H](C)[C@@H]1[C@@H](O)C[C@@H]2[C@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 257549902 TYAFBMTZMSJDIO-KMWGROIYSA-N 430.673 5.496 30 10 IKEE CCCCCCCCC[C@@H](N)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 406748197 BTAVVEMMOSZFOG-LJQANCHMSA-N 427.427 6.937 30 10 IKEE CCc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(Sc3ccc(C)cc3)C2=O)cc1 526659966 AGWCEJIEAKMEAQ-UHFFFAOYSA-N 439.540 5.418 30 10 IKEE CC(=O)Oc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)cc1 526744979 VUQIAOCRHCETHR-JOCHJYFZSA-N 447.874 5.048 30 10 IKEE CCCCOc1cccc(/C=N\n2cnnc2SCc2ccc(Cl)c(Cl)c2)c1 526813957 FRHPAGJUAHFGCF-MSXFZWOLSA-N 435.380 5.938 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1c[nH]c2ccccc12 526824082 JDMNOQQRPNHKIJ-ROTLSHHCSA-N 444.391 6.193 30 10 IKEE N#Cc1cccc(CN(c2cccc3cccnc23)S(=O)(=O)c2ccccc2Cl)c1 586225975 OWVTWLNVYCIHSH-UHFFFAOYSA-N 433.920 5.155 30 10 IKEE COc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)cc1F 698499240 YTHOUPYNGUTECC-QGZVFWFLSA-N 435.293 5.603 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 698975863 AYPIZKHSDSSLMI-CYFREDJKSA-N 447.551 5.639 30 10 IKEE COC1(OC)CCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 704571154 DQKFRPZOBQMCHJ-LJQANCHMSA-N 439.350 5.016 30 10 IKEE Cc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)c(C)c1Br 719633430 MRWIKGXUHJNYSV-SFHVURJKSA-N 433.321 6.211 30 10 IKEE C=CCC1([C@@H](Cc2cc(Br)cs2)NCCC)CN(C(=O)OC(C)(C)C)C1 722919986 FYEBVJKBLRIHLV-QGZVFWFLSA-N 443.451 5.235 30 10 IKEE CC(C)n1cc(C=Nc2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c2ccccc21 1084066015 HGCATJACOYGLJH-UHFFFAOYSA-N 441.600 7.165 30 10 IKEE Cc1cc(C)cc(Oc2cccc(F)c2NC(=O)CCc2c(C)nc(O)c(C#N)c2C)c1 1586700380 BAAMUXCXAARNOU-UHFFFAOYSA-N 433.483 5.395 30 10 IKEE CCCCCCCCCCCCCCCCNS(=O)(=O)c1ccc(NN)c(Cl)c1 1615951236 KUYVQNREMPWPHL-UHFFFAOYSA-N 446.101 6.385 30 10 IKEE CN1C(=O)/C(=C\c2ccccc2OCc2ccccc2Cl)SC1=Nc1ccccn1 1772730303 CINWCPFYPPYXLA-CXJFQJJYSA-N 435.936 5.548 30 10 IKEE C/C(=C1\SC(=Nc2nnc(C)s2)N(C2CCCCC2)C1=O)c1ccc(Cl)cc1 1772736822 JRVAFOQRCPFKTO-UBLAJHMLSA-N 433.002 5.827 30 10 IKEE COc1ccc(/C(C)=C2\SC(=Nc3ccncc3Cl)N(c3ccccc3)C2=O)cc1 1772737375 OYOIHYUKWRDZTF-VHDUERLVSA-N 435.936 5.942 30 10 IKEE N#Cc1cnn(-c2ccccc2)c1NC(=O)c1ccc2oc(-c3cccc(Cl)c3)nc2c1 1859743959 NCFRTFAVSAPXEJ-UHFFFAOYSA-N 439.862 5.458 30 10 IKEE CCCCCCCCCNC(=O)[C@@H](Cc1ccc(Cl)cc1)N1Cc2ccccc2C1=O 1860216113 CQBQFCDWPRCTFQ-XMMPIXPASA-N 441.015 5.774 30 10 IKEE COc1cc(/C=C/C(=O)C(=O)Nc2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1 1860728939 YNWDSZSDHKGOJB-MHWRWJLKSA-N 443.543 5.793 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2ccc(C(=O)O)cc2)cc1 1862393227 QIOKKDCAENVRFZ-KSFYIVLOSA-N 435.520 5.104 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2cccc(C)c2)cc1C 1862401321 YOJHZNHWWOXLMG-VWLOTQADSA-N 445.559 5.781 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2cc(Cl)cc(Cl)c2)cc1C 1862408593 PNWZBNCCKDUKNE-HXUWFJFHSA-N 448.346 5.545 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cccc(Cl)c1)c1ccccc1Cl 1862432971 QZNDHMKLNCJQPV-HXUWFJFHSA-N 430.331 5.904 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862477229 JSRUGFCKTLQCPH-VWLOTQADSA-N 436.511 5.563 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC(C)C)cc1 1862484293 LNZDHWBJFHYGKG-VWLOTQADSA-N 449.591 6.188 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OCc2ccccc2C)cc1 1862485711 KOWDWSKRRUSMRW-VWLOTQADSA-N 441.527 5.481 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@@H]2c2ccccc2)c1 1862486826 MCNMBAXJKLNHOV-HSZRJFAPSA-N 431.919 5.735 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2cccc(O)c2)cc1 1862514678 LBOMJPJFWGSWNW-XMMPIXPASA-N 449.547 5.482 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1c(F)cccc1Cl 1862531493 ORYCCHKIDYGUOE-OAQYLSRUSA-N 429.919 5.810 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2C(C)C)cc1OCC 1862541302 IPSHYHHLNXYEQO-HSZRJFAPSA-N 437.536 5.033 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1cccc(OCC)c1 1862619140 OJMARKWUVAVTMF-HSZRJFAPSA-N 435.564 5.761 30 10 IKEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(C(C)(C)C)cc1 1862654309 YXLKFAKGFLNAJB-MZNJEOGPSA-N 443.543 5.096 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862660882 RDVOUBPVEVECDM-RUZDIDTESA-N 431.576 6.420 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(N(C)C)cc2)cc1 1862664711 PINFRSLFNQYBAP-VWLOTQADSA-N 446.591 5.787 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@H]1c1ccc2cc[nH]c2c1)c1ccc(F)cc1 1862679362 ZAUYVOYZRABZAM-DEOSSOPVSA-N 446.522 5.998 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(Cl)cc1 1862725639 NZFITXVALJXDLM-QHCPKHFHSA-N 431.919 5.995 30 10 IKEE C=CCNC1=C(c2cccc3ccccc23)C(=O)N(Cc2ccc(OC(C)(C)C)cc2)C1=O 1863574201 MYLIBMNJVJIFHM-UHFFFAOYSA-N 440.543 5.073 30 10 IKEE O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c[nH]c2c(F)cc(F)cc2c1=O 1866419446 LLLMRLUJRUVVFN-UHFFFAOYSA-N 436.258 5.096 30 10 IKEE Cc1ccc(-c2nc(Nc3ccccc3C#N)cc(N3CCO[C@@H](c4cccnc4)C3)n2)cc1 1868327364 SPQSPMWCPKPYFM-XMMPIXPASA-N 448.530 5.040 30 10 IKEE N#Cc1ccc(Nc2cc(N3CCc4cc5ccccc5nc43)nc(-c3ccccc3)n2)cc1 1868376038 GOTZMEPDZBPCBR-UHFFFAOYSA-N 440.510 6.001 30 10 IKEE CCCc1nc(Nc2cccc(C#N)c2)cc(N2CCCc3ccc(N4CCCC4)cc32)n1 1868377824 BTQDBILTEROJDU-UHFFFAOYSA-N 438.579 5.729 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(OC)c(F)c2)c(=O)cc1CN1CCCC1 1870381959 DKGHSNFEMKZZCI-UHFFFAOYSA-N 444.591 5.531 30 10 IKEE C=CCOc1cn(Cc2ccc(F)cc2)c(CN(CCCC)CCCCCC)cc1=O 1870386508 SLDHBPKQNZCRMO-UHFFFAOYSA-N 428.592 5.783 30 10 IKEE CCCCCCCOc1cn(CCCCN(CC)CC)c(CN2CCC[C@@H](C)C2)cc1=O 1870411931 RRBCMTZUHYBSMA-XMMPIXPASA-N 447.708 5.551 30 10 IKEE CCCCCCCCCCn1cc(OCC(C)C)c(=O)cc1CN(C)Cc1ccccc1 1870437447 URNSVLFHDGXSEK-UHFFFAOYSA-N 440.672 6.656 30 10 IKEE CCCCCCCCCCn1cc(OCc2cccc3ccccc23)c(=O)cc1CN(C)C 1870486532 GUMKJZNRJDLQRD-UHFFFAOYSA-N 448.651 6.783 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(C)cc2)c(=O)cc1CN1CCCCCC1 1870770240 BWOVMKCATLSWLX-UHFFFAOYSA-N 438.656 6.472 30 10 IKEE Cc1cc(OC(=O)/C=C/c2cccs2)cc2c1C(=O)/C(=C/c1ccc(N(C)C)cc1)O2 1871381519 YSCBEZPSOMGHII-LAUHTZEZSA-N 431.513 5.358 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc2C1=O 1871384352 XFPHRRJTKLKOSX-NHDPSOOVSA-N 435.819 5.392 30 10 IKEE Cc1cc(OC(=O)c2cccc(OC(C)C)c2)cc2c1C(=O)/C(=C/c1ccc(Cl)cc1)O2 1871387901 DMWSYQTZAUZZDL-FMCGGJTJSA-N 448.902 6.271 30 10 IKEE COc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1cccs1)C2=O 1871412480 SOKGFKFIHRLXRM-PJMHOZITSA-N 435.501 5.087 30 10 IKEE COc1ccc(OCCCOc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871415447 CEWPAPASLRUPSS-IWIPYMOSSA-N 436.891 5.813 30 10 IKEE CCCCCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O 1871427120 OSMYMQJKJGXSCY-NDENLUEZSA-N 432.875 5.516 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871440379 LTYOPLHGMQFRRP-QFEZKATASA-N 441.527 6.061 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 1871450361 GTPYSGPZIZHDCE-MQKZQLNTSA-N 445.490 5.973 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3cccc(C)c3C)cc(C)c2C1=O 1871458636 DVQZMEGXOZQONE-CFRMEGHHSA-N 427.500 5.554 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)CCCC 1871946723 JFGYYOIZWRGLMQ-LJQANCHMSA-N 449.444 5.499 30 10 IKEE Cc1cc(OCC(=O)[C@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)ccc1Cl 1872760093 HBINSFVDICTDAJ-FQEVSTJZSA-N 432.932 6.180 30 10 IKEE CC(C)c1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 1872762081 CQAWZDXPOVALSX-GSXXRBPTSA-N 441.383 7.130 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3cccc(Cl)c3)cs2)cc1OC 1872766753 ODEOANCPOHAJSM-PDFOZTTASA-N 438.936 5.760 30 10 IKEE CN(C)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3cccc4ccccc34)cs2)cc1[N+](=O)[O-] 1872774888 FELGYPDAMWRCSL-LJQANCHMSA-N 442.500 5.428 30 10 IKEE N#C[C@@H](C(=O)c1cccc(Oc2ccccc2)c1)c1nc(-c2cccc3ccccc23)cs1 1872775378 PCROAUNIFVZLDP-VWLOTQADSA-N 446.531 7.246 30 10 IKEE N#C[C@H](C(=O)CCCOc1ccc(Cl)cc1)c1nc(-c2cccc3ccccc23)cs1 1872775439 QMHDABLPQOWVKV-JOCHJYFZSA-N 446.959 6.652 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)Cc2ccc(F)cc2F)n1 1872777399 MSQHYMDYVGDVBO-GOSISDBHSA-N 440.515 5.813 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@@H](C#N)C(=O)c3ccccc3Cl)n2)c1 1872781889 ZTROHSAJRNQDHQ-KRWDZBQOSA-N 426.925 5.751 30 10 IKEE CCCCCCCCNC(=O)c1cccc(COc2ccc(OC)cc2C(C)(C)C)c1 1872832786 VBJRAAXIAUXAKR-UHFFFAOYSA-N 425.613 6.662 30 10 IKEE CCCCCCCCCCNC(=O)c1cc2c(N(C)Cc3ccccc3)ncnc2n1CC 1873570741 GWBQHUPGJFKDSE-UHFFFAOYSA-N 449.643 5.958 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C(C)C)cc2)cc2c(NCc3ccncc3)ncnc21 1873618388 NBTKZXYJABRCIU-UHFFFAOYSA-N 426.524 5.000 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc2c(N(CC)CC)ncnc21 1873671163 IMYLNUZOOQOLRG-UHFFFAOYSA-N 441.535 5.508 30 10 IKEE CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccccc1Cl 1874217277 FDCZPLFEMWFUAI-FOKLQQMPSA-N 435.380 5.775 30 10 IKEE CCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1ccc(Cl)cc1Cl 1874249582 FUZKUUYBGRFNJZ-ZVHZXABRSA-N 449.407 5.899 30 10 IKEE CCCOC(=O)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(Cl)cc1 1874369811 SIVOXKNKLOLKKH-FSJBWODESA-N 449.363 5.179 30 10 IKEE COc1cccc(/C=N/n2c(Cc3ccc(C)cc3)nnc2SCc2ccccc2)c1O 1874388956 CZXYUJAIPCUJQX-WGOQTCKBSA-N 444.560 5.066 30 10 IKEE COc1ccccc1/C=N/n1c(CCc2ccccc2)nnc1SCc1ccccc1C 1874396572 LAZFNQJQVDBXGL-OVVQPSECSA-N 442.588 5.555 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCC)cc1OC 1874407170 ISTQFRGRSHTOSL-JJIBRWJFSA-N 430.618 5.583 30 10 IKEE Oc1ccccc1/C=N/n1c(Cc2cccs2)nnc1SCc1ccc(Cl)cc1 1874413682 FZMYBMLDZUYDBQ-YDZHTSKRSA-N 440.981 5.464 30 10 IKEE Cc1ccccc1CSc1nnc(-c2cccs2)n1/N=C/c1ccccc1OC(C)C 1874421015 PWJWSKQDHMQBBA-MFKUBSTISA-N 448.617 6.277 30 10 IKEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3cccc(C)c3)nnc2-c2ccccc2)cc1 1874426572 PETFZZBRMATPMV-WGOQTCKBSA-N 441.560 5.175 30 10 IKEE O=[N+]([O-])c1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CCCC2)cc1 1874457494 RCLMYXKNCHYLIM-YDZHTSKRSA-N 441.944 5.672 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C(F)(F)F)c(O)c1 1874462383 QDXSIMFFPZFOAF-OPEKNORGSA-N 444.438 5.036 30 10 IKEE CCCOc1ccccc1/C=N/n1c(CC(C)C)nnc1SCc1cccc(Cl)c1 1874491359 NCJZSJMTFDUGMH-MFKUBSTISA-N 443.016 6.093 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(C)C)n2/N=C/c2ccc(Br)cc2)c1 1874513601 HJKJIYIKLGIXNH-FSJBWODESA-N 443.414 5.955 30 10 IKEE COc1cccc(/C=N/n2c(S)nnc2-c2cccs2)c1OCc1cccc(C)c1 1874559042 REKYZNGAMBAWSP-YDZHTSKRSA-N 436.562 5.074 30 10 IKEE CC(C)Oc1cccc(/C=N/n2c(S)nnc2COc2ccc(Cl)cc2Cl)c1 1874569484 ZCDCXVODTCVXQW-LSHDLFTRSA-N 437.352 5.122 30 10 IKEE Sc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1c(Cl)cccc1Cl 1874570467 UMMTYNLSFMDPCG-QPSGOUHRSA-N 448.162 5.642 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(F)c(C)c2)c1 1874581573 UNWWYMRILDBOHW-JXMROGBWSA-N 437.898 6.010 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1ccccc1Cl)c1ccc2c(c1)OCCO2 1874581730 DASQDSHLNCVGSN-VMPITWQZSA-N 441.310 6.240 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1F 1874582177 ACIRVANCJDFJML-RUDMXATFSA-N 441.842 5.871 30 10 IKEE C=C(C)COc1ccc(Br)cc1/C=C/C(=O)c1cc(C(C)C)c(OC)cc1C 1874585605 XKQSFKGQIPYLHB-VQHVLOKHSA-N 443.381 6.741 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc(Br)c1OC 1874602013 PGAQPHQBQAQKMQ-NTEUORMPSA-N 437.333 6.420 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2Cl)cc1 1874617733 QSAJXDRPMGUFSZ-MDWZMJQESA-N 447.962 6.433 30 10 IKEE C=CCOc1c(Br)cc(/C=C/C(=O)c2cccc3ccccc23)cc1OCC 1874623260 TXYJEYBXXRSOTG-OUKQBFOZSA-N 437.333 6.462 30 10 IKEE C=C(C)COc1c(Cl)cc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)cc1OC 1874628703 RECGJNVVATWWFQ-AATRIKPKSA-N 441.738 6.515 30 10 IKEE C=C(C)COc1c(Br)cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1OC 1874630680 ODXGNDPUAISQJG-BQYQJAHWSA-N 445.353 5.934 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1)NCc1ccco1 1874637529 DZFUFNVUAUKXKS-BJMVGYQFSA-N 430.287 5.178 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(Cl)cc3)c2)cc1OC 1874700958 VBIMMIMWUFNXPP-WUXMJOGZSA-N 436.891 5.401 30 10 IKEE COc1cccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3c(C)cc(C)cc3C)c2)c1 1874716540 XHGZYQWTOWFQQU-VAWYXSNFSA-N 430.500 5.501 30 10 IKEE C=CCN(CC=C)CCC(=O)c1ccc(NC(=O)c2ccc3cc(Cl)ccc3n2)cc1 1874756561 FPKWNLVGSRMSHY-UHFFFAOYSA-N 433.939 5.387 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cccs3)c(Cl)c2)cc1OC 1875098985 UIWUPGIIMZPWCS-VMPITWQZSA-N 442.920 5.463 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)CC(C)(C)C)c(OC)c2)cc1C 1875107306 JTVTYPOBPYNWHZ-VQHVLOKHSA-N 430.928 5.903 30 10 IKEE CN(C)c1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3F)cc2Cl)cc1 1875121064 XVAGQIKJAHRWLL-QDEBKDIKSA-N 441.861 5.800 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc(Cl)c3)cc2[N+](=O)[O-])cc1C 1875124695 XSTRLCMOPNRWFX-JXMROGBWSA-N 435.863 5.980 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)c(C)c3)c(Cl)c2)cc1 1875129665 NTLDYUDCCXZFFR-AWNIVKPZSA-N 434.919 6.471 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)C3CCC3)c(OCC)c2)cc1 1875130030 GHDLIDSJNWRCJV-MDWZMJQESA-N 428.912 5.739 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)c1ccc(C)c(C)c1 1875133581 BNIPWCNIFMGZHA-UKTHLTGXSA-N 428.528 6.434 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OCC 1875134156 RSTDBWJPNDEBDG-SAPNQHFASA-N 436.592 7.254 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1sccc1C 1875136173 ASIHUBSBYUHZCS-FMIVXFBMSA-N 432.541 6.217 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C2CCC2)c(Br)c1)c1cccc2ccccc12 1875155082 LZXNDBDQGWITJC-ACCUITESSA-N 435.317 6.204 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)Cc1ccc(C)c(C)c1 1875158870 RBRFTAIHBRXQCS-NTUHNPAUSA-N 432.491 5.885 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c([N+](=O)[O-])c2)cc1C 1875174748 GSZXEDJOTPRZPI-NYYWCZLTSA-N 446.415 5.235 30 10 IKEE O=C(Nc1ccc(F)cc1Br)c1ccc(C(F)(F)F)cc1C(F)(F)F 1889902614 DTXUBPKFORUOFX-UHFFFAOYSA-N 430.117 5.878 30 10 IKEE N#Cc1ccc(CNS(=O)(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)cc1F 1891717886 OZAWCFBLWRCOSE-UHFFFAOYSA-N 435.307 5.150 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@H]1CC2(CCCC2)CN1C(=O)OC(C)(C)C 1922115631 IYEPVYLLYZVNOC-XZOQPEGZSA-N 428.617 5.307 30 10 IKEE CC(C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 2018644044 ASOLXTIUMJKAFI-XMMPIXPASA-N 435.609 5.628 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(CCF)CCCN1C(=O)OC(C)(C)C 2023629378 BHOCQSOZFPJZRW-DHLKQENFSA-N 434.596 5.257 30 10 IKEE C=CCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCCN(C(=O)OC(C)(C)C)C12CCCCC2 2024620672 GEMIKQQFRUTWCW-DEOSSOPVSA-N 433.593 5.406 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(C)s2)cc1 2033814000 XPWGOCVKOCEARQ-HXUWFJFHSA-N 439.558 5.295 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(Cc3ccccc3)C3(CC3)C2)cc1 2042191203 VPGKZYAZGYNOIX-MHZLTWQESA-N 431.580 5.828 30 10 IKEE CCc1ccc([C@H](n2nc(C(C)C)c(C#N)c2I)C2(C)CC2)cc1 2079042080 DJLWHDRQZVZJEU-SFHVURJKSA-N 433.337 5.435 30 10 IKEE Cc1ccc([C@@H](C2CCC2)n2nc(C3(C)CC3)c(C#N)c2I)cc1F 2079140304 JLWDWNXEWJAJND-QGZVFWFLSA-N 449.311 5.248 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@]1(C#N)CCN(Cc2ccccc2)C(C)(C)C1 2079237060 GNAAQFULRZTSAI-AREMUKBSSA-N 437.559 5.904 30 10 IKEE ON=Cc1c(C2CC2)nn([C@@H](c2ccc(C(F)(F)F)cc2)C2CCC2)c1Br 2079856929 WTQCXDFSDNONMH-QGZVFWFLSA-N 442.279 5.739 30 10 IKEE CC(C)[C@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)F)c(C#N)c1Br 2079977745 QLXPUHQHGFKCAU-CYBMUJFWSA-N 440.185 5.858 30 10 IKEE CC(C)Oc1ccc([C@@H](n2nc(C(F)F)c(C=NO)c2Br)C(C)(C)C)cc1 2080068474 CJQKLTAVPQACPR-MRXNPFEDSA-N 444.320 5.814 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Br)c(Cl)cc1C 2082749309 RBJYWABHMXOCRZ-CQSZACIVSA-N 431.758 5.209 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)C(C#N)(C(F)(F)F)C(F)(F)F 2127481139 OCSCVABPDMIJNO-UHFFFAOYSA-N 447.173 5.578 30 10 IKEE N#Cc1ccc(NC(=O)C2CC3(CC(OCc4ccccc4)C3)C2)cc1Br 2160248864 VONDPDWHHHAZOZ-UHFFFAOYSA-N 425.326 5.035 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@H](Nc3ccc(C#N)c(Br)c3)C[C@@H]21 2166985927 WQRKBCFGRLXZSO-LJHODMEESA-N 434.378 5.301 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2ccc(C#N)cc2F)ccc1Br 2181055830 MJICVLCEYRHXBR-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE C[C@@H]1Cc2ccccc2[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2185486209 OUFIGEBYHASXIZ-IVZQSRNASA-N 427.342 5.802 30 10 IKEE C=CCC[C@@](C)(CO)N(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C)cc1 2211074160 KAYVNRBIRSEXBS-LJAQVGFWSA-N 441.571 6.468 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]([C@@H](C)CC)N(C)C(=O)OC(C)(C)C 2235721698 BFKMGVINIKQMRN-PWIZWCRZSA-N 437.422 5.060 30 10 IKEE C/C=C/C[C@H](NC(=O)OC(C)(C)C)[C@@H](C#Cc1ccccc1Br)NCCC 2235747035 MXHSOYMTEGJPAU-LVHMURGSSA-N 435.406 5.028 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1c(F)ccc(F)c1F 2239730656 ZLCGBWOSOVHWGY-OAHLLOKOSA-N 441.247 5.873 30 10 IKEE C=CC[C@H](C)[C@@H](OCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2275715868 CWTPYJOMYLUESC-RBTNQOKQSA-N 446.543 6.199 30 10 IKEE CN(Cc1cccc(CNc2c(Br)cccc2C#N)c1)C(=O)OC(C)(C)C 2285238067 NXPFLMHKTANBOS-UHFFFAOYSA-N 430.346 5.300 30 10 IKEE CN[C@H](C#Cc1cccc(Br)c1)CCC(C)(C)CCNC(=O)OC(C)(C)C 2296217296 SNWYGLLRYUGMJA-LJQANCHMSA-N 437.422 5.110 30 10 IKEE CN[C@@H](C#Cc1ccc(Br)cc1)c1ccc(NC(=O)OC(C)(C)C)c(F)c1 2296306309 FQNHIGAPOPSWRP-SFHVURJKSA-N 433.321 5.247 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3cc(OCC(=O)OCc4ccccc4)ccc3C2=O)cc1 2296595275 IQRUMJSJJLPXDB-UHFFFAOYSA-N 442.511 5.723 30 10 IKEE CCCCCCCCN1C(=O)C(=CNc2cc(Cl)ccc2O)C(=O)N(CCCC)C1=O 2297454781 NXBCRAFZZWCCCI-UHFFFAOYSA-N 449.979 5.293 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@]1(NC(=O)OC(C)(C)C)C[C@@H]2CCCC[C@@H]21 2298668567 KLERPAVUECNLHS-WOLJRWFJSA-N 428.617 5.211 30 10 IKEE C=CCC(CC=C)[C@H](NCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2301057074 FLHMOYZGHKGJDR-QHCPKHFHSA-N 428.617 5.187 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C(F)(F)C1 2301059216 AXDQTEIXNCBQAB-NRFANRHFSA-N 443.535 5.095 30 10 IKEE O=C1C(=Cc2ccccc2Cl)Oc2cc(OCc3ccc(Br)cc3)ccc21 2314438308 OGWZANAESCXOHN-UHFFFAOYSA-N 441.708 6.298 30 10 IKEE COc1cccc(C=C2SC(=Nc3nc(-c4ccccc4)cs3)N(C)C2=O)c1OC 2314544284 XUAOWCFVMHMSBV-UHFFFAOYSA-N 437.546 5.061 30 10 IKEE COc1ccc(-c2csc(NN=Cc3ccc(OC(C)C)c(Br)c3)n2)cc1 2318417804 GQGWQFGCFMAOOL-UHFFFAOYSA-N 446.370 5.814 30 10 IKEE CCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1c(OC)ccc2ccccc12 2318574464 LRIRWOGVHRKYSB-UHFFFAOYSA-N 436.968 5.830 30 10 IKEE CCc1nnc(SCc2ccccc2C)n1N=Cc1cc(Br)ccc1F 2320940969 GIJCZJTWXMBCNX-UHFFFAOYSA-N 433.350 5.225 30 10 IKEE Cc1c(OCc2c(Cl)cccc2Cl)ccc2c1OC(=Cc1ccc(F)cc1)C2=O 2321774180 WUASMHRWEAUURL-UHFFFAOYSA-N 429.274 6.636 30 10 IKEE CCCCCN1COc2ccc3c(c2C1)OC(=Cc1ccccc1Br)C3=O 2322047758 NPIRGPPPPUTUPW-UHFFFAOYSA-N 428.326 5.407 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3c(ccc4c3CN(Cc3ccccc3F)CO4)C2=O)cc1 2322056793 NBGBUVVZDZFTBD-UHFFFAOYSA-N 443.518 6.092 30 10 IKEE Fc1cccc(Cl)c1C=Nn1c(S)nnc1CCCOc1ccc2ccccc2c1 2322274127 LDHWINKUSSESAO-UHFFFAOYSA-N 440.931 5.406 30 10 IKEE CC[C@@H](C)N1COc2c(cc3c(c2C)OC(=Cc2ccc(Br)cc2)C3=O)C1 2322371176 OURIKTWOTQJJEX-CYBMUJFWSA-N 428.326 5.324 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2C)c1 2322617427 DJGBBBJQILSHNY-UHFFFAOYSA-N 447.962 6.487 30 10 IKEE O=C(C=Cc1ccccc1OCc1c(Cl)cccc1Cl)c1ccc2c(c1)OCCO2 2322667479 KVSAODIZWKCPEE-UHFFFAOYSA-N 441.310 6.240 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(F)c(F)c2)c1OCc1ccccc1Cl 2322781578 OPMKRDUQVUEGTI-UHFFFAOYSA-N 449.280 6.755 30 10 IKEE Cc1c(OC(=O)C=Cc2ccc(F)cc2)ccc2c1OC(=Cc1cccc(Cl)c1)C2=O 2323046819 YLHDHXACFHBEIW-UHFFFAOYSA-N 434.850 6.023 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3ccc(F)cc3)c2)cc1 2323063341 BZEQODFVUDRLOH-UHFFFAOYSA-N 433.479 5.310 30 10 IKEE CCOC(=O)c1ccc(COc2cc(C=CC(=O)c3cccc(Cl)c3)ccc2OC)o1 2323118463 ZMGLHMBEJAFWPU-UHFFFAOYSA-N 440.879 5.593 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OCc3c(Cl)cccc3Cl)c2)c1 2323178152 OQZWOUGDHWWDND-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 2323230348 NABLSRVXJKSBSJ-UHFFFAOYSA-N 445.515 6.376 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)ccc2OC)cc1OCc1cccc(Cl)c1 2323330433 RTLOUFRGADMIHX-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3C)c([N+](=O)[O-])c2)cc1 2323471503 LZMZIYTYADCISV-UHFFFAOYSA-N 444.487 5.379 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3)c(Br)c2)cc1C 2323561762 MMJSWDCXZMUTBT-UHFFFAOYSA-N 437.333 6.241 30 10 IKEE C=C(C)COc1c(Br)cc(C=CC(=O)c2ccc(OCC)cc2)cc1OC 2323839914 NQXVYHHHNBMRPI-UHFFFAOYSA-N 431.326 5.707 30 10 IKEE CCCOc1c(Cl)cc(C=NNc2nc(-c3cccc(OC)c3)cs2)cc1Cl 2323858427 UJSYXIKUVVBNGK-UHFFFAOYSA-N 436.364 6.360 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(C)cc3)cc2Cl)cc1 2323900503 WWLNOLFYUUPWFI-UHFFFAOYSA-N 433.935 6.124 30 10 IKEE Cc1cccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2cccs2)C3=O)c1C 2324499008 OUPFBXVTYMWKRX-KRWDZBQOSA-N 433.529 5.696 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OCc1ccc(F)cc1 2324545293 JVFNUSXCNZLJER-UHFFFAOYSA-N 438.926 6.888 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1Cl 2324607229 WYDWMEKAJIEMDD-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE CCc1ccc(NC(=O)[C@@H](CC)Oc2ccc3c(c2)OC(=Cc2ccccc2)C3=O)cc1 2324816715 PKIYBDCGRLUJHA-HSZRJFAPSA-N 427.500 5.661 30 10 IKEE CCCCCCCCC(=O)Oc1cccc(C=CC(=O)c2ccc(Cl)cc2Cl)c1 2325709824 IQWPGBZBLISTFH-UHFFFAOYSA-N 433.375 7.546 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3ccc(C)c(C)c3)c2)cc1 2325734783 POGVVIYUNNCJPC-UHFFFAOYSA-N 430.500 5.583 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccccc3Br)c2)c(C)c1 2325736183 HJKUWVHFKMIVSE-UHFFFAOYSA-N 435.317 6.181 30 10 IKEE Cc1cc(C(=O)C=Cc2cccc(OC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)c2)ccc1F 2325742148 ODZVOWDDSDQWNB-FGZHOGPDSA-N 434.894 6.393 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)[C@H](C)Oc3ccc(Cl)cc3)c2)c(C)c1 2325764696 PKVIYWKISHMUTL-FQEVSTJZSA-N 448.946 6.534 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2)cc1C 2325771344 VAHDGHUASKCMKT-UHFFFAOYSA-N 445.471 5.644 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2N=Cc2ccco2)cc1 2329288545 SBUFMWUHAZNTFN-UHFFFAOYSA-N 438.940 5.298 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3F)n2N=Cc2ccc(F)cc2)cc1 2329700679 GSOHYKUCWVQRAR-UHFFFAOYSA-N 434.515 5.630 30 10 IKEE Fc1cccc(CSc2nnc(Cc3ccccc3F)n2N=Cc2ccccc2F)c1 2329725737 OQTQTAKQUPIAGM-UHFFFAOYSA-N 438.478 5.461 30 10 IKEE Cc1ccc(CSc2nnc([C@@H](C)c3ccccc3)n2N=Cc2sccc2C)cc1 2330050898 SAXACJHHDAHSFA-IBGZPJMESA-N 432.618 6.283 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1)c1ccc(Br)cc1 2330910795 CFDURHJVQLUGNJ-UHFFFAOYSA-N 441.708 6.218 30 10 IKEE Cc1cccc(CSc2nnc(C3CCCC3)n2N=Cc2ccc(O)c([N+](=O)[O-])c2)c1 2331044466 NJQUMTMNYOCIAM-UHFFFAOYSA-N 437.525 5.032 30 10 IKEE Cn1cc(C=Nn2c(SCc3cccc(F)c3)nnc2C2CCCC2)c2ccccc21 2331048866 BMAQOAXALACBRC-UHFFFAOYSA-N 433.556 5.741 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1)c1cccc(Cl)c1 2331117736 DHFHOLORBGJEOZ-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc([N+](=O)[O-])c1OC(=O)c1ccc(F)cc1 2331174267 BMHHAWSWHXTFTI-UHFFFAOYSA-N 435.407 5.248 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)Cc1ccccc1F 2331230081 MOQNTCQVGJKRSR-UHFFFAOYSA-N 432.491 5.885 30 10 IKEE COCCc1nnc(SCc2ccccc2C)n1N=Cc1ccc(Cl)c(Cl)c1 2331245631 DUFOKWWFGMHJIB-UHFFFAOYSA-N 435.380 5.257 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2ccccc2C)c1 2331362189 HRZJBALZNXSAMA-UHFFFAOYSA-N 435.597 5.114 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)Cc2cccs2)c([N+](=O)[O-])c1 2331362338 XWKVYXCLKMXFMU-UHFFFAOYSA-N 437.473 5.018 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)cc(Cl)c1OC(=O)c1cccnc1 2331467135 JDVFYYSYKPLRPX-UHFFFAOYSA-N 443.886 6.012 30 10 IKEE COc1ccc(C=Nn2c(CC(C)C)nnc2SCc2ccc(Cl)cc2)cc1OC 2331468154 FJYACIBUCNZVOI-UHFFFAOYSA-N 444.988 5.322 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)ccc1OC(=O)CC(C)(C)C 2331608952 YBWDRGUQFVATEX-UHFFFAOYSA-N 444.527 6.725 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3c(C)cc(C)cc3C)cc2OC)cc1 2331779926 DDYDMEIIAJRFRO-UHFFFAOYSA-N 444.527 5.673 30 10 IKEE COC(=O)[C@H](Sc1nc(-c2cccs2)cc(-c2ccccc2)c1C#N)c1ccccc1 8451267 CWKQEQWNBPDTFO-HSZRJFAPSA-N 442.565 6.355 30 10 IKEE CCOc1ccc(-c2nc3n(n2)[C@H](c2ccc(OC)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 9731815 ONSIDAQBKWUIQJ-HSZRJFAPSA-N 444.535 5.011 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)COc2cccc(C(C)C)c2)nc2c(C)cccc12 12240906 VBWPYLVYYVQDSO-UHFFFAOYSA-N 439.519 5.050 30 10 IKEE Cc1ccc(/C=N/c2ccc3cc4ccc(/N=C/c5ccc(C)s5)cc4nc3c2)s1 12576361 ZQLXOHIEDFTTKK-CIOBDNPFSA-N 425.582 7.629 30 10 IKEE CN(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(F)ccc2F)cc1 20882991 DURTUZJXYWYGNK-XGCWNURASA-N 445.513 6.010 30 10 IKEE Cc1cccc(/N=C2/S/C(=C\c3ccc(OCc4ccccc4Cl)cc3)C(=O)N2C)n1 39863221 QRBRHDIRHITHOK-WSUVFPRVSA-N 449.963 5.856 30 10 IKEE Cc1cc(O)c(CN(C)Cc2ccccc2)c2c1C(=O)/C(=C/c1ccc(N(C)C)cc1)O2 41514646 ZSSRKZVBMDBTJQ-IWIPYMOSSA-N 428.532 5.015 30 10 IKEE CC(C)(C)NC(=O)CSc1nc2ccc(/N=C/c3c(O)ccc4ccccc34)cc2s1 59517486 LTDSHSCIAZIJKG-DHRITJCHSA-N 449.601 5.913 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2cc(NC(=O)CCC)ccc2Cl)cc1 100276711 YGKOHEFDSPJLKJ-UHFFFAOYSA-N 430.976 6.680 30 10 IKEE CCCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccc(O)cc1 100308235 JENKUUIDYXGHSK-UHFFFAOYSA-N 431.705 9.153 30 10 IKEE CCCCCCCCN(CCCCCCCC)C(=O)SCc1nc2ccccc2[nH]1 100312854 SNVIYCWSNQHSIQ-UHFFFAOYSA-N 431.690 7.939 30 10 IKEE CCN1/C(=C\C(=O)C2(c3ccc(F)cc3)CCCC2)C(C)(C)c2c1ccc1ccccc21 100984962 FJHWGUCSIFJGGC-PLRJNAJWSA-N 427.563 7.061 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)S/C1=N/c1ccccn1 101084364 AUGQDERFFMFTDD-RZPAUPBHSA-N 440.322 5.338 30 10 IKEE O=C(/C=C\Nc1ccccc1NS(=O)(=O)Cc1ccccc1)c1cccc2ccccc12 101362445 ZEJGIGFNRJDNIW-ZCXUNETKSA-N 442.540 5.590 30 10 IKEE CCOc1ccc(/C=C2/CC/C(=C/c3ccc(OCC)c(OCC)c3)C2=O)cc1OCC 104374815 SBYXGUHVARNWRU-BMJUYKDLSA-N 436.548 6.111 30 10 IKEE C[C@H]1Sc2ccc(C(=O)N3CCCS/C3=N/c3ccccc3Cl)cc2NC1=O 105129681 UZPXJLAXWIVHQM-AHGGLUHZSA-N 431.970 5.040 30 10 IKEE COc1ccc(Cl)cc1[C@H](C#N)C(=O)c1cc(Br)c(Br)s1 128469358 VJAAWLKZCYEJHT-VIFPVBQESA-N 449.551 5.425 30 10 IKEE CCCOc1ccc(/C=N\Nc2nc(-c3ccc(C)cc3)cs2)cc1Br 169942614 BJJHFPHLANRQCR-UUYOSTAYSA-N 430.371 6.116 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccc(O)cc2)c1 169958907 FUUPVRQPXJKVPS-QFIPXVFZSA-N 433.891 5.445 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2cccc(C)c2)c1 169970415 HLBGBLPSVVNOCY-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2cccc(C)c2)cc1 169971326 RRYWFDPEUOBEFY-QHCPKHFHSA-N 449.453 5.455 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccncc2)cc1 170026051 NIRBYWFZCDPBFM-NRFANRHFSA-N 441.512 5.037 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)C)cc2)[C@H]1c1ccccc1 170048964 HYQJXFWEBDSGTJ-VWLOTQADSA-N 441.527 5.910 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2cccc(F)c2)c1 170140154 AKVVHIYJMHVILT-HSZRJFAPSA-N 427.431 5.663 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccc(C)c2)cc1 170140968 HCPHKOCOGUVMLX-XMMPIXPASA-N 427.500 5.485 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2cccs2)c1 170158313 MMOYWXRCFWNZRD-JOCHJYFZSA-N 449.528 5.165 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccs1 170166341 FTPHBPXDKMXMOI-QFIPXVFZSA-N 435.545 5.295 30 10 IKEE Cc1ccc(-c2nc(C3=C(N)N(Cc4ccccc4OC(C)(C)C)CC3=O)sc2C)cc1 170179193 LPYKJLRXNLCVMZ-UHFFFAOYSA-N 447.604 5.316 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@@H]1c1ccc(OCC)cc1 170213700 XWRUEAIOCWHDSK-NRFANRHFSA-N 443.927 5.126 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@H]1c1cccc2ccccc12 170220941 SQGLDCPDZKMBPU-JOCHJYFZSA-N 435.907 5.490 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2)cc1C(C)C 170223414 IAFRJOROZWUUED-DEOSSOPVSA-N 445.490 5.741 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1)c1ccc2ccccc2c1 170238666 MOUHRQOIDDNPNY-XMMPIXPASA-N 441.433 5.901 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2ccc(C(C)C)cc2)cc1 170245587 GYPZWMGTMHRLOK-VWLOTQADSA-N 449.591 6.367 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@@H]1c1ccccc1F 170252609 GNYAUNBPJSBNQX-QFIPXVFZSA-N 425.500 5.336 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1cccc(O)c1 170259796 KGVSZATUVIKSIV-QHCPKHFHSA-N 443.499 5.109 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1ccc(C#N)cc1 170272809 YLJNNTHWYJDIOX-JOCHJYFZSA-N 428.875 5.303 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccco2)c1 170278745 ZOISSXJGZAJHOE-HSZRJFAPSA-N 425.440 5.224 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccc(C)o2)cc1C(C)C 170300354 KVOCVNXJUBARQS-DEOSSOPVSA-N 445.515 5.811 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccc(C)o2)cc1 170302477 HCGIMISRWSEZSB-HSZRJFAPSA-N 431.488 5.386 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2cccc(C)c2C)o1 170302542 NJKDIMVHYPOFHB-RUZDIDTESA-N 437.495 6.141 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2cccc(Cl)c2)o1 170303605 KBUBFFJJZLOXBW-PEBXRYMYSA-N 449.890 5.348 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccc(O)c(Cl)c2)cc1 170368380 DISDFYQSAZLGEY-HSZRJFAPSA-N 447.918 5.754 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccc(OCc2ccccc2)c1 170457601 VQSPCBGYGHQPLV-QHCPKHFHSA-N 445.515 5.369 30 10 IKEE CCCCCCCCCCCCCCCCCCN(C)C(=O)c1cc(O)c(O)c(O)c1 196908261 YYQGNUKCEGPZSW-UHFFFAOYSA-N 435.649 7.137 30 10 IKEE O=C1/C(=C\c2cc(Cl)cc(Cl)c2O)SC(=Nc2ccccc2)N1c1ccccc1 252627156 RNTWUJDCCSQWMC-QCIUGURRSA-N 441.339 6.508 30 10 IKEE C=C(CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3)C(C)C 257621335 XJLZCPIILZRCPS-MGVIXMEGSA-N 440.756 8.725 30 10 IKEE biogenic CCCCCCCCC[C@H](N)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 406544141 ICDKDOULZLUMKZ-SFHVURJKSA-N 427.427 6.937 30 10 IKEE N#Cc1ccc(C(F)(F)F)nc1SCc1nc(O)c2c(-c3ccco3)csc2n1 488733002 IXQDSQJLRFALSA-UHFFFAOYSA-N 434.424 5.235 30 10 IKEE CCOc1cc([C@@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)ccc1OC 526520550 HHMBFJFDVRIQCT-RUZDIDTESA-N 440.499 5.331 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccco2)cc1OC 526604327 HUIHWFIOSCBFOO-HSZRJFAPSA-N 430.460 5.006 30 10 IKEE CCCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1ccccc1F 526815494 YSLZTKXHHJIZHK-MSXFZWOLSA-N 437.371 6.241 30 10 IKEE CCCOc1ccccc1/C=N\n1c(CC)nnc1SCc1ccc(Cl)cc1Cl 526824062 IDOQZXGEARMQQP-CFRMEGHHSA-N 449.407 6.111 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)N[C@@H]3CCCC[C@@H]3C)C2)c1 585932074 DKANKVGQIUKARZ-WWPVKYPJSA-N 440.632 5.007 30 10 IKEE Cc1cc(C)cc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(OC(C)C)cc2)c1 586260009 VXJOCDGFXZAWMU-UHFFFAOYSA-N 434.561 5.358 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1cccc(O)c1Cl 698453627 VDYDJAUQUBUYHE-OAHLLOKOSA-N 437.721 5.814 30 10 IKEE O=C1/C(=C\c2cccc(Cl)c2Cl)SC(=Nc2ccccc2)N1C1CCCCC1 1083911818 KTSKKESYSNAFSS-NLEVOZIKSA-N 431.388 6.930 30 10 IKEE O=[N+]([O-])c1cc(Br)cc(C=Nc2ccc(OC(F)(F)C(F)F)cc2)c1O 1084184902 IMJOUBKQHLXLBV-UHFFFAOYSA-N 437.143 5.050 30 10 IKEE Cc1ccc(CSc2n[nH]c(NN=Cc3ccc(OCc4ccccc4)cc3)n2)cc1 1084295454 FHORGZHJEFXUJV-UHFFFAOYSA-N 429.549 5.430 30 10 IKEE O=C1NC(=NN=Cc2ccco2)S/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 1772724200 JZZPOWMNBIETNF-DDHNVMBSSA-N 431.395 5.152 30 10 IKEE CN1C(=O)/C(=C\c2c(F)cccc2Cl)SC1=Nc1nc(-c2ccccc2)cs1 1772735882 HNZZOKKGLLUPLT-PWSGBSGUSA-N 429.929 5.836 30 10 IKEE CCc1ccccc1NC(=O)c1oc2c(c1C)C(=NNc1ccc([N+](=O)[O-])cc1)CCC2 1772746301 AROUBSZOYMFKRP-UHFFFAOYSA-N 432.480 5.463 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)c2ccc(CSC(C)C)o2)nc2c(C)cccc12 1859762648 ARVWWWODUNRGFS-UHFFFAOYSA-N 445.548 5.396 30 10 IKEE CCCCCCCCNC(=O)[C@H](NC(=O)c1ccccc1Br)c1ccccc1 1861020716 GSPLTAVCYLEYFH-OAQYLSRUSA-N 445.401 5.397 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)c1ccc2nc(C(C)C)[nH]c2c1 1861447750 PJVOOBRDSCNWGI-HXUWFJFHSA-N 446.661 5.015 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)[C@@H](C)Oc1ccc(C(C)C)cc1 1861674064 OOXWCOKZZRHRSK-RCZVLFRGSA-N 444.660 5.825 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccccc1[N+](=O)[O-] 1862383761 MKVWBBHFOFEKGM-SFHVURJKSA-N 449.290 5.280 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@H]1c1ccccc1 1862390050 USJYYKJXZYQVII-AREMUKBSSA-N 447.619 6.968 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2c(F)cccc2Cl)cc1 1862395873 ALHCCTYUIMNFSL-OAQYLSRUSA-N 429.919 5.810 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(Cl)cc1Cl 1862443270 KSHBNKRLNVLFEX-GOSISDBHSA-N 438.738 6.025 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(N(C)C)cc1 1862446873 CSEIMOJXVHLESH-OAQYLSRUSA-N 426.944 5.030 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2cccc3ccccc23)cc1 1862480939 SBZLRXAHEOLNMP-VWLOTQADSA-N 434.495 5.322 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862531555 QBRJOZAYLADEJS-QHCPKHFHSA-N 448.519 5.458 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccccc1F 1862545033 REVTUEBCKAUYET-XMMPIXPASA-N 435.539 5.863 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C2CCCCC2)cc1 1862601031 UXEUIEAYAXTGDR-XMMPIXPASA-N 449.547 5.482 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(F)cc1F 1862617675 ZCUXDNIPKBEZPK-QFIPXVFZSA-N 441.518 5.887 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cc(Cl)cc(Cl)c1 1862668353 XAYNAAVDEPYGHU-OAQYLSRUSA-N 446.374 6.495 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862677091 YWDGDXZSMHFBCI-NYHFZMIOSA-N 446.434 5.073 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2ccccc2F)c1 1862702513 FCPPWELLCWIQFC-XMMPIXPASA-N 445.490 5.230 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(Cl)cc3)C2=O)c1 1862791645 UAVSEGMVQFUMGR-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(F)cc2F)C1=O 1863314469 QVUVFWHYUYHRRK-LJQANCHMSA-N 437.490 5.387 30 10 IKEE CCCCCCCCNC1=C(c2ccc(OC(C)C)cc2)C(=O)N(CCCCC)C1=O 1863694261 HRLYXBKDUYTILO-UHFFFAOYSA-N 428.617 5.694 30 10 IKEE CCCC[C@@H](NC(=O)C[C@@H](c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1ccccc1C#N 1866723155 BUAPSPHXRALQEK-ILBGXUMGSA-N 431.580 5.373 30 10 IKEE CC(C)[C@@H]1c2[nH]cnc2CCN1c1cc(Nc2cccc(C#N)c2)nc(-c2ccccc2)n1 1868354562 GPYFTVGSNPMDHN-RUZDIDTESA-N 435.535 5.242 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)[C@H](Cc2ccccc2)c2ccccc2)n(C(C)(C)C)n1 1870000051 DXQDYHFTWFCOLU-HSZRJFAPSA-N 443.595 5.177 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)c(Cl)c2)c(=O)cc1CSc1ccc(C)cc1 1870253044 SFXDLPIHGPOPRJ-UHFFFAOYSA-N 446.399 6.521 30 10 IKEE C=CCn1cc(OCc2cccc(F)c2)c(=O)cc1CN1CCC(Cc2ccccc2)CC1 1870615269 SOPYYQVQIKQRLY-UHFFFAOYSA-N 446.566 5.207 30 10 IKEE C=CCOc1cn(CCc2ccc(F)cc2)c(CNc2ccc(Cl)cc2C)cc1=O 1870809654 OGPXIFJYJBUIBX-UHFFFAOYSA-N 426.919 5.369 30 10 IKEE CCCCCCCOc1cn(CC(C)C)c(CNc2ccc(OCCCC)cc2)cc1=O 1870831585 GPUDSXLHSXMPOW-UHFFFAOYSA-N 442.644 6.645 30 10 IKEE CCCCCCCCCCn1cc(OCCCC)c(=O)cc1CNc1cccc(C)c1 1871112726 QKJXPFOWYJUMDP-UHFFFAOYSA-N 426.645 7.088 30 10 IKEE C[C@H](c1ccccc1)N1COc2ccc3c(c2C1)O/C(=C\c1ccccc1OC(F)F)C3=O 1871352292 YTUVTYRQGQPUCA-GEWRUKCFSA-N 449.453 5.817 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccccc1)C3=O)CN(CCCCc1ccccc1)CO2 1871359760 ZOPKOTYHPDAEDG-XYGWBWBKSA-N 425.528 5.786 30 10 IKEE Cc1cc(OC(=O)c2cccc3ccccc23)cc2c1C(=O)/C(=C/c1ccccc1Cl)O2 1871378184 ZGMFRSKNGIDPOB-OYKKKHCWSA-N 440.882 6.637 30 10 IKEE Cc1cc(O)c(CN(C2CCCCC2)C2CCCCC2)c2c1C(=O)/C(=C/c1ccccc1)O2 1871393121 OPTMCACJPNAUMC-ITYLOYPMSA-N 445.603 6.784 30 10 IKEE COc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1cccc(F)c1)C2=O 1871410895 CGCDUYLNSWGOMX-GMPVXANTSA-N 447.462 5.165 30 10 IKEE Cc1ccc2oc(=O)cc(COc3ccc4c(c3)O/C(=C\c3ccc(F)cc3)C4=O)c2c1 1871460257 CKCODKHBDOIRNQ-MYKKPKGFSA-N 428.415 5.436 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cccc(Cl)c1)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872246773 LSRATQYJSBMLDJ-XMSQKQJNSA-N 449.016 5.269 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1cccs1 1872426651 FTCMDYPMRYCMMK-SFHVURJKSA-N 441.018 5.084 30 10 IKEE COc1ccc(Br)cc1-c1nc2ccc(C(=O)Nc3ccc(C#N)cc3)cc2[nH]1 1872735049 BRPREVOYYFVSEV-UHFFFAOYSA-N 447.292 5.125 30 10 IKEE CCCOc1c(OC)cccc1-c1nc2ccc(C(=O)Nc3ccc(C#N)cc3)cc2[nH]1 1872735308 NRZZUXLVCQTGMT-UHFFFAOYSA-N 426.476 5.151 30 10 IKEE CCc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(Cl)c(Cl)c3)n2)cc1 1872761726 UGAZMLXVRWASEU-DKISHCGFSA-N 427.356 6.569 30 10 IKEE Cc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c(C(C)(C)C)c1 1872763097 DPUJVXFMXJBWIJ-SFHVURJKSA-N 449.532 5.580 30 10 IKEE COc1ccccc1-c1csc([C@@H](C#N)C(=O)c2c(Cl)ccc(Cl)c2OC)n1 1872767627 WSVMAWBSKFZLJQ-LBPRGKRZSA-N 433.316 5.624 30 10 IKEE COc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3cc(C)ccc3C)cs2)c(C(C)(C)C)c1 1872772589 QOGDAKKGQANKNM-HXUWFJFHSA-N 448.588 5.988 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H]2CCCC[C@@H]2C)=C(c2ccc(OC)cc2)C1=O 1873142611 NXEFCZRDWZEAEA-SIKLNZKXSA-N 426.601 5.304 30 10 IKEE CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccc(N(C)C)cc1 1874217548 OTUWROUPGMDQDW-ZMOGYAJESA-N 444.004 5.188 30 10 IKEE CCCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1ccc(OCC)cc1 1874247769 VEQPVNGHSHSATA-XIEYBQDHSA-N 438.597 5.381 30 10 IKEE C=CCSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1cc(Cl)ccc1O 1874259414 YEXWCVBSWGFJCE-ZVHZXABRSA-N 442.972 5.329 30 10 IKEE C=C(C)CSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1cccc(Cl)c1 1874260513 DSFLIOWLVVCMLR-YSURURNPSA-N 434.899 5.339 30 10 IKEE CCCCC1CCC(c2nnc(SC)n2/N=C/c2cc(OC)c(OC)c(OC)c2)CC1 1874284304 ZATBVQPARYZVNM-BUVRLJJBSA-N 446.617 5.372 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CCc3ccc(OC)cc3)nnc2SCC)cc1 1874306506 ASJSJVPEGFCNLR-XIEYBQDHSA-N 438.597 5.245 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2)n1/N=C/c1cn(C)c2ccccc12 1874318299 LMJZNFPJIUYCNO-KOEQRZSOSA-N 433.581 5.166 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3C)n2/N=C/c2cccc(C)c2)cc1 1874359925 GBIGKARYGFMEKO-MTDXEUNCSA-N 440.616 6.163 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2-c2ccccc2Cl)cc1 1874365124 LYXCTOVIPVKUEU-JVWAILMASA-N 447.007 6.644 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccc3Cl)n2/N=C/c2ccco2)cc1 1874366629 MCXGXEPZYQWEDP-WSDLNYQXSA-N 439.884 5.274 30 10 IKEE Cc1cccc(/C=N/n2c(COc3ccccc3)nnc2SCc2ccccc2Cl)c1 1874384185 CVADNPWNPDIWPB-CVKSISIWSA-N 448.979 5.993 30 10 IKEE Fc1ccccc1/C=N/n1c(COc2ccccc2)nnc1SCCc1ccccc1 1874384494 SBPDHWPAOQDMKS-YZSQISJMSA-N 432.524 5.213 30 10 IKEE CCc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2c(F)cccc2Cl)cc1 1874441479 YWCLKUVBRANUFE-VULFUBBASA-N 445.007 6.396 30 10 IKEE Cc1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2ccc(C(F)(F)F)cc2)cc1 1874451697 LWKBLMICQYYRCK-MZJWZYIUSA-N 444.526 6.437 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(C2CCCC2)n1/N=C/c1ccc(C)cc1 1874452150 GOMVSRWLTRAQQF-WGOQTCKBSA-N 447.608 5.420 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3ccccc3C)nnc2C2CCCC2)cc1 1874452525 ZTWUPVJDLWMASU-YZSQISJMSA-N 434.609 6.207 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2ccccc2C)c1 1874452620 FOCDBMBQESJWAV-MFKUBSTISA-N 433.581 5.166 30 10 IKEE CC(C)c1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccc(O)cc1O 1874515260 VFWRZGSLBAOWOG-LSFURLLWSA-N 437.352 5.294 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2ccc(C(C)C)cc2)cc1 1874516413 WFTKBCQEDOMVBP-CVKSISIWSA-N 447.608 5.454 30 10 IKEE COc1cccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C2CC2)c1OC 1874522856 OPOCRFBGPSMLBQ-BHGWPJFGSA-N 446.935 5.140 30 10 IKEE CCOc1cccc(/C=N/n2c(CC)nnc2SCc2c(Cl)cccc2Cl)c1 1874526302 WCVAUYWUKMCUHZ-FSJBWODESA-N 435.380 5.721 30 10 IKEE CCCOc1ccccc1/C=N/n1c(S)nnc1COc1ccc(C)cc1C(C)(C)C 1874568982 AQDYBKUOBZVMQF-MFKUBSTISA-N 438.597 5.423 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2c(OCCc3ccccc3)ccc3ccccc23)cc1 1874573740 CKGSODFHLHVFKA-FMQUCBEESA-N 434.579 7.700 30 10 IKEE Cc1cc(C(=O)/C=C/c2c(OCC(=O)NCc3ccco3)ccc3ccccc23)ccc1F 1874580561 UDYBFKNWTJFOFA-ZRDIBKRKSA-N 443.474 5.472 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCc3ccccc3C)ccc3ccccc23)c(C)c1C 1874586239 CBRVEZLBBFUPAZ-JQIJEIRASA-N 436.551 7.249 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OCc1ccc(Cl)c(Cl)c1 1874595184 YKCOGHUPOVHNOX-JXMROGBWSA-N 447.745 7.131 30 10 IKEE C=C(C)COc1c(OC)ccc(/C=C/C(=O)c2cc(C)c(OC)cc2C)c1Br 1874599990 NJTHJXFNRSNHMC-VQHVLOKHSA-N 445.353 5.934 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2OC)cc(OC)c1OCc1ccccc1Cl 1874611283 FMNMTNALSJHRNG-CCEZHUSRSA-N 448.946 6.561 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2cc(Br)c(OC)c(OC)c2)cc1Cl 1874631794 UXNZYQTZOPEXRR-AATRIKPKSA-N 441.705 5.033 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)c1cc(C)cc(C)c1 1874693222 TYYKMQVDKQHSAA-VQHVLOKHSA-N 431.444 5.336 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1OC(=O)c1cnc(C)cn1 1874695141 MJQPKUFNAAOHME-XVNBXDOJSA-N 443.286 5.216 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2cc(/C=C/C(=O)c3ccc(C)cc3)ccc2OC)c1 1874702645 CBOFHGDWOPNANV-KPKJPENVSA-N 446.499 5.065 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2)cc1 1875100171 RIZFVNGFWUQFIF-NTUHNPAUSA-N 440.495 5.511 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3)c(Br)c2)cc1 1875100559 HBNXRCOZKRWPQD-GXDHUFHOSA-N 435.317 6.127 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3Cl)cc2[N+](=O)[O-])cc1 1875113685 SZBUROMQBZFTFN-ZRDIBKRKSA-N 435.863 5.601 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 1875117193 CWNWHIXRJURXAT-NTUHNPAUSA-N 426.425 5.275 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3Cl)c(Cl)c2)cc1 1875133199 JIUYYGUDXYLODQ-XYOKQWHBSA-N 425.311 6.346 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1cccc([N+](=O)[O-])c1 1875133252 MALYQFJYDLPCEN-FMIVXFBMSA-N 447.443 5.036 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)c1cccs1 1875171193 KRBPSOZIWDMMGT-CSKARUKUSA-N 436.529 5.888 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)Cc1cccs1 1875176980 UNWUEJQRJIECKN-ZRDIBKRKSA-N 446.568 6.146 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc1Cl 1875180221 ISYMVBURIKSTJG-PKNBQFBNSA-N 449.374 7.082 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 1922084913 DLKMXHLOOCZGRN-ZCYQVOJMSA-N 436.596 5.667 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@]12CCCC[C@@H]1CN(C(=O)OC(C)(C)C)C2 1922094883 OXSVAVYFMXVKAP-UMFSSWHCSA-N 428.617 5.165 30 10 IKEE CC[C@@H](NC(=O)OC(C)(C)C)[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1936065975 GVDNDQCEEGAOJG-VGSWGCGISA-N 437.968 5.667 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)CC12CC2 1949366185 HPMNXSMZASJNOR-QHCPKHFHSA-N 447.601 5.311 30 10 IKEE C#Cc1cccc([C@@H]2[C@H](C(=O)O)CCN2C(=O)OCC2c3ccccc3-c3ccccc32)c1 1952798040 VCYNXYLDCJSMJU-AOYPEHQESA-N 437.495 5.065 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)([C@H](O)CC#CC2CCCCC2)C1 2041887479 PUOQLMWMZUHXMC-SQHAQQRYSA-N 441.612 5.165 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)C1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2042146449 FKCJHHRUQYKPNJ-IAGOWNOFSA-N 447.551 5.352 30 10 IKEE CC(C)c1cc(N2CCN(CC=Cc3ccccc3)CC2)n2c(nc3ccccc32)c1C#N 2053479835 KQNCLRAGUGVNOQ-UHFFFAOYSA-N 435.575 5.318 30 10 IKEE C=CCCCC[C@H](NCCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2059114433 JNTFLQDSWUAOQT-DEOSSOPVSA-N 443.676 5.661 30 10 IKEE CC[C@@H]1CC=C(C(=O)CC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)CC1 2061120251 WDGJIAIEYQKSIL-OAQYLSRUSA-N 440.628 5.642 30 10 IKEE CCCc1ccc([C@H](C2CCC2)n2nc(C(F)F)c(C=NO)c2Br)cc1 2079927904 YKKPHYKNKAWPCV-KRWDZBQOSA-N 426.305 5.733 30 10 IKEE Cc1ccc([C@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C2(C)CC2)c(F)c1F 2079932457 LVKIGRNWSYRCBK-KRWDZBQOSA-N 438.316 5.481 30 10 IKEE COC(=O)c1c(C(F)(F)F)nn2c(Cl)cc(-c3ccc(F)c(C(F)(F)F)c3)nc12 2081292726 AWOQEXSQCOUUQV-UHFFFAOYSA-N 441.690 5.013 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]([C@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 2082162551 SZXOUZLROOPOQW-OSWMTFESSA-N 447.551 5.543 30 10 IKEE CCCN[C@@](C#N)(C[C@@H](C)CC)CN(CCN(C)Cc1ccccc1)Cc1ccccc1 2086484958 SJTHCATYCDGEGT-LBNVMWSVSA-N 434.672 5.319 30 10 IKEE CN[C@](C#N)(CCCN(CCN(C)Cc1ccccc1)Cc1ccccc1)c1ccccc1 2095876822 CYNPOJPZVNWCHA-LJAQVGFWSA-N 440.635 5.039 30 10 IKEE CC(C)N[C@]1(C#N)C[C@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)CCC1(C)C 2099186493 XKNOEKUEVRKYPF-PXJZQJOASA-N 446.683 5.460 30 10 IKEE CC#CCCCC[C@H](NCC)c1ccc(Br)cc1I 2142286985 KLOFVWGEFDVXDN-INIZCTEOSA-N 434.159 5.288 30 10 IKEE CC(C)N(CC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(C#N)c(Br)c1 2174809073 VTTPZOXPLBMHGG-UHFFFAOYSA-N 436.394 5.183 30 10 IKEE C=CCCCCCCC(=O)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2206898075 FIKZEZDWKQJCGM-LJQANCHMSA-N 438.406 5.981 30 10 IKEE C#CCCCCCNC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2243924741 LCMWEPHLWPGHOV-SANMLTNESA-N 446.591 5.250 30 10 IKEE C=CCCCCC[C@H](NCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248463828 VBVNWYAIDSPMMU-QHCPKHFHSA-N 430.633 5.555 30 10 IKEE CC(C)(C)OC(=O)NC1C[C@@H]2CC[C@H](C1)C2(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2258046648 HFVFBHZUPXQLOR-MBRCDQNCSA-N 447.620 5.532 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1cc(Br)cc(C(C)(C)C)c1 2288665358 FYSJAYBKXNDVON-MOPGFXCFSA-N 439.438 5.867 30 10 IKEE O=[N+]([O-])c1cccc(C=CC=Nc2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)c1 2293556368 RXXGJMFDHNIQSF-UHFFFAOYSA-N 438.270 7.126 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H](CC(C)C)NC(=O)OC(C)(C)C 2296290991 JRCAOTTVECQGSJ-VQTJNVASSA-N 437.422 5.108 30 10 IKEE CN[C@H](C#Cc1ccc(Br)cc1)CCC1(NC(=O)OC(C)(C)C)CCCC1 2296291681 REDKAZCGLZELPX-LJQANCHMSA-N 435.406 5.006 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)C[C@H](NC(=O)OC(C)(C)C)C(C)C 2296311596 YYIJFEZQHKHPHZ-PMACEKPBSA-N 437.422 5.108 30 10 IKEE O=C(C(=Cc1ccc(N2CCOCC2)cc1)c1nc2ccccc2s1)c1ccccc1 2297327832 XAFNWJWTPVDGOJ-UHFFFAOYSA-N 426.541 5.556 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2308985830 NGVKMMMPOLTLRU-QNRRCFITSA-N 447.620 5.532 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OCc4ccc(Cl)c(Cl)c4)c3C)C2=O)c1 2321787438 HXMBHHSGVUYFTL-UHFFFAOYSA-N 441.310 6.506 30 10 IKEE Sc1nnc(-c2ccco2)n1N=Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1 2321911946 BJUBPAKBUFUNOH-UHFFFAOYSA-N 445.331 5.595 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3c(ccc4c3CN(Cc3cccs3)CO4)C2=O)cc1 2321965105 CXRNUIJJUBXWPI-UHFFFAOYSA-N 431.557 6.014 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc4c3CN(C35CC6CC(CC(C6)C3)C5)CO4)C2=O)cc1 2322238496 DNUBWYGNCOROMO-UHFFFAOYSA-N 427.544 5.732 30 10 IKEE Cc1ccc(C)c(COc2ccc3ccccc3c2C=CC(=O)c2ccc3c(c2)CCCC3)c1 2322330975 BJGWXVBEMIHCIW-UHFFFAOYSA-N 446.590 7.811 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(Cl)cc1C=CC(=O)c1cccc(OC)c1 2322371952 HGGHIVQWAKHDEZ-UHFFFAOYSA-N 429.944 5.272 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1cccc(F)c1)C3=O)CN(CCCc1ccccc1)CO2 2322427169 FZGABGCCXOMAEY-UHFFFAOYSA-N 429.491 5.535 30 10 IKEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(Cc2sc(Cl)cc2Br)CC1 2322531855 FDQXHBSAZDIGSM-UHFFFAOYSA-N 432.620 5.318 30 10 IKEE CC(C)COC(=O)COc1ccccc1C=CC(=O)c1ccc(Oc2ccccc2)cc1 2322806956 UCRFZFAKQIIXCW-UHFFFAOYSA-N 430.500 5.953 30 10 IKEE Cc1cc(OC(=O)c2cccc(Cl)c2)cc2c1C(=O)C(=Cc1ccc(N(C)C)cc1)O2 2322916753 GIZAGVZRRVCRGK-UHFFFAOYSA-N 433.891 5.550 30 10 IKEE Cc1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2323063622 UBNMODOLVFDOBS-UHFFFAOYSA-N 430.887 6.192 30 10 IKEE CC(C)c1ccc(C=C2Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc3C2=O)cc1 2323318104 XSZRYJRUSOPQTE-UHFFFAOYSA-N 444.914 6.698 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 2323536933 HERSOEIQSOGEJI-UHFFFAOYSA-N 449.934 7.066 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc(OC(C)=O)cc4)c3C)C2=O)cc1 2323628248 JFEYVYXHRHBCQW-UHFFFAOYSA-N 442.467 5.318 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OCC(=O)Nc1ccc(F)cc1 2323865679 LFHDNVFBIWITGW-UHFFFAOYSA-N 447.506 5.755 30 10 IKEE CCCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2F)C3=O)cc1 2323936715 BFPUBWFCUUPGKM-UHFFFAOYSA-N 446.430 5.367 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(O)c3CN(CC)CCc3ccncc3)C2=O)cc1 2324090812 RABVSEKUWFGCPQ-UHFFFAOYSA-N 428.532 5.030 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OCC(=O)N(CC)CC 2324191906 LSVOEVFJAFCCCH-UHFFFAOYSA-N 433.907 5.021 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OCc2cccc(C)c2)c(Cl)c1 2324220743 GUAKNHZGRCXRNJ-UHFFFAOYSA-N 448.990 7.430 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc(O[C@H](C)C(=O)Nc3ccccc3)c2C)C1=O 2324405750 VBXCIOUHTOTNNH-GOSISDBHSA-N 443.499 5.416 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(Cl)cc1 2324431115 ICNGWEXTGBBAGO-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE CCCC[C@H](Oc1cc(C)c2c(c1)OC(=Cc1cn(CC)c3ccccc13)C2=O)C(=O)O 2324781921 KCVUPCRDXBNKMX-NRFANRHFSA-N 433.504 5.608 30 10 IKEE CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2C)C3=O)c1 2324825900 ZDRXRRPMOVIXTO-SFHVURJKSA-N 441.483 5.220 30 10 IKEE Cc1c(Cl)cccc1NC(=O)COc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O 2325053102 QRKKZFDJMHIODA-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(Cl)cc2)ccc2c1OC(=Cc1cccc(F)c1)C2=O 2325513839 GPARWPRGBJGOIG-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cn(C)c2ccccc12 2325532533 UWTVQDDONKUNKU-UHFFFAOYSA-N 438.000 5.940 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(-n4cccc4)cc3)c2)cc1C 2325714796 MEQFLLCOZCPKNA-UHFFFAOYSA-N 437.495 5.910 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccc(C)cc4)c3C)C2=O)cc1 2325715781 OYHZMMWPUFUXKA-UHFFFAOYSA-N 443.499 5.336 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4cc(C)cc(C)c4)ccc3C2=O)cc1 2325721464 DRROKROPKIPFBC-UHFFFAOYSA-N 427.500 5.500 30 10 IKEE CCOc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc(Cl)cc3)c2)cc1 2325730790 XUYTXWQVMPHQRV-UHFFFAOYSA-N 436.891 5.619 30 10 IKEE COc1ccc(CC(=O)Oc2cc(C=CC(=O)c3ccc(C)cc3C)ccc2OC)cc1 2325735090 FUORWULHTQYGTQ-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE O=C(Oc1cccc(C=CC(=O)c2cccc3ccccc23)c1)c1c(F)cccc1Cl 2325750087 YQGADIYIGZWQND-UHFFFAOYSA-N 430.862 6.748 30 10 IKEE O=C(Cc1ccccc1)Oc1cccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)c1 2325754690 HRESWEAWPYLZAK-UHFFFAOYSA-N 434.491 6.523 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OC(=O)Cc1ccc(C)c(C)c1 2325759682 UDCNLCZOOAHZDN-UHFFFAOYSA-N 428.528 5.973 30 10 IKEE CCc1ccc(C=Nn2c(CCCOc3ccc4ccccc4c3)nnc2SC)cc1 2325883288 MBILEPCIGSAXGN-UHFFFAOYSA-N 430.577 5.609 30 10 IKEE C=C(C)CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccc(O)cc1 2326130540 BHWOSSLACHMTGK-UHFFFAOYSA-N 442.972 5.383 30 10 IKEE COc1cccc(C=Nn2cnnc2SCc2ccc(C)cc2)c1OCc1ccccc1 2326287180 ZIVTUMUCNARYTL-UHFFFAOYSA-N 444.560 5.349 30 10 IKEE CCSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1ccc(Cl)cc1 2326323618 FZNMIIVBVMBMEV-UHFFFAOYSA-N 428.989 5.500 30 10 IKEE C=C(C)CSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1ccc(O)c(O)c1 2328158156 RBOAIPQBEVDPHL-UHFFFAOYSA-N 428.602 5.704 30 10 IKEE C=CCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc(OCCC)cc1 2329112707 PKFMYZBPZSABOJ-UHFFFAOYSA-N 426.973 5.471 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(O)cc1 2329488340 OWNFHBBJJFVZRI-UHFFFAOYSA-N 446.551 5.391 30 10 IKEE Fc1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCc2cccc(F)c2)cc1 2329819995 QUXOZSGOMJAPNZ-UHFFFAOYSA-N 438.478 5.461 30 10 IKEE Cc1cccc(C)c1OCC(=O)Oc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1 2330653439 GTIONACUJRZONK-UHFFFAOYSA-N 436.507 6.337 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(C=CC(=O)c3ccc4ccccc4c3)cc2)CC1 2330653737 AMQOBRZTNVZKFQ-UHFFFAOYSA-N 440.583 7.638 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2cccc(F)c2)nnc1-c1ccccc1 2330653807 KWXULKNJJBIPAS-UHFFFAOYSA-N 446.551 6.048 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3cccc4ccccc34)c(OC)c2)c1 2330800042 IQONUWDRZACTKO-UHFFFAOYSA-N 438.479 5.972 30 10 IKEE CC(C)(C)Cc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(O)cc1 2330857319 NPOGESQOMCNPHM-UHFFFAOYSA-N 449.407 6.054 30 10 IKEE Fc1cccc(CSc2nnc(C3CCCC3)n2N=Cc2c(F)cccc2Cl)c1 2331065981 FHBDTUZMUDLUAZ-UHFFFAOYSA-N 432.927 6.042 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2C(F)(F)F)c1 2331138322 LQWCHGFCHMHJOV-UHFFFAOYSA-N 434.487 5.487 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1)c1ccccc1 2331167716 MIELFAQMQCVPIW-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE CCSc1nnc(-c2ccco2)n1N=Cc1ccccc1OCc1ccccc1Cl 2331193018 DUFCTZNKGQMZNQ-UHFFFAOYSA-N 438.940 5.765 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCc3ccccc3)nnc2-c2ccco2)cc1 2331205131 HVRMKPSDADFBAA-UHFFFAOYSA-N 432.549 5.892 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCCC)nnc2-c2ccco2)cc1OCC 2331216457 XAVLOATVLYCZHS-UHFFFAOYSA-N 428.558 5.500 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(C)c3)cc2[N+](=O)[O-])c1 2331339693 ZMSXHDBVGDQPJS-UHFFFAOYSA-N 435.407 5.166 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)c1ccc(C)cc1 2331705189 MSLCWYMBCVWNPC-UHFFFAOYSA-N 430.500 5.744 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1ccc(Cl)cc1 2331780073 ZWMSZXMJKJGESR-UHFFFAOYSA-N 434.919 6.389 30 10 IKEE CCC[C@H](CCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339589776 CALVCUXPCKVSHA-LJQANCHMSA-N 446.397 5.189 30 10 IKEE C=CC[C@H](Oc1ccnc2ccc(Br)cc12)[C@H]1CCN1C(=O)OC(C)(C)C 2361019337 WKFBTMILVHNOQZ-MJGOQNOKSA-N 433.346 5.330 30 10 IKEE C[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(OCc4ccccc4)cc3)c2C#N)C1 1925706 LINCDTKRWVCFPQ-MDNBWPLSSA-N 428.557 5.975 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C)s1)N2 14456544 KUJOCSUTWKTUQY-YYDVJCTNSA-N 426.607 5.246 30 10 IKEE C/C(=N\Nc1nc(SCCC(=O)Nc2ccc(C)cc2)n[nH]1)c1ccc2ccccc2c1 21082250 YNLVJKMDHUZLJW-WPWMEQJKSA-N 444.564 5.223 30 10 IKEE Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(Cl)ccc2O)cc1 21220623 QDVSBPSYIXDVCY-QUGAMOGWSA-N 430.935 6.334 30 10 IKEE CCOc1cc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(CC)cc2)C3)ccc1OC(C)C 21228428 YKCVKWZCUVTBHH-FGZHOGPDSA-N 447.575 5.439 30 10 IKEE O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1cccc(Cl)c1Cl)Nc1ccccc1N2 21231141 UZBDQMWPRYHQGN-JCQPUDPBSA-N 441.383 7.034 30 10 IKEE Cc1cccc(C)c1/N=C1\NC(=S)N(c2ccc(Cl)cc2)[C@]1(C)Cc1ccccc1 27495852 VDURZFJPJBGVOM-RUZDIDTESA-N 434.008 6.383 30 10 IKEE O=C(c1c(-c2ccccc2)c2cc(Br)ccc2[nH]c1=O)[C@H]1O[C@@H]1c1ccccc1 32106119 GUNFZMQFFRJZDR-DHIUTWEWSA-N 446.300 5.280 30 10 IKEE N#Cc1cccc(COc2cccc(NC(=O)c3ccc(Cl)cc3N3CCCC3=O)c2)c1 32289387 WIYHUVHOEUXDMS-UHFFFAOYSA-N 445.906 5.170 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccc(Cl)cc1)c1cc2ccccc2o1 33379839 NIKIRGZABONCBG-QFIPXVFZSA-N 444.874 5.260 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C/c1c(F)cccc1Cl)C2=O)c1cccc([N+](=O)[O-])c1 33582822 XOAAHTJFEJHVDY-RGVLZGJSSA-N 439.782 5.223 30 10 IKEE CCOc1cc(/C=C2\S/C(=N\c3cccc4ccccc34)NC2=O)cc(Cl)c1OC 33862415 YEYFMRSTOIVOPM-MOSHPQCFSA-N 438.936 5.792 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(OC(=O)N(c3ccccc3)c3ccccc3)cc2)c1 34955752 PVARLQJLESAIRH-HMMYKYKNSA-N 449.506 6.928 30 10 IKEE CC(/C=C1\S/C(=N/c2ccncc2Cl)N(C2CCCCC2)C1=O)=C\c1ccccc1 39864635 OMFATYUEJIXTST-INZZMDASSA-N 437.996 6.618 30 10 IKEE CCCCCCCCCCCCCCCCNC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 100068448 SUOROFLRWLSCLJ-UHFFFAOYSA-N 449.661 6.680 30 10 IKEE C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1C/C(=C/c1ccc(Br)cc1)C2=O 118919562 CTGFFXZZHKKDLF-DNBHPTKRSA-N 441.453 7.444 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2cc(C)ccc2C)=C(O)C(=O)N1c1cc(C)ccc1C 169943647 OHOHLMGHECETPH-RUZDIDTESA-N 441.527 5.712 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccc(Cl)cc2)c1 169969739 LPRCJPDOSBJUIV-HSZRJFAPSA-N 443.886 6.178 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2c2cccc(Cl)c2)c1 169970222 NZDFAPLPNLRZEG-JOCHJYFZSA-N 447.874 5.160 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(OC(C)C)cc2)cc1 169977450 USKRDXUSGGQJNA-XMMPIXPASA-N 427.500 5.565 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2cccc(O)c2)cc1C 170081033 FYPJXOAZWQUBEH-QFIPXVFZSA-N 433.891 5.445 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@@H]1c1ccco1)c1cccc(Cl)c1 170092527 WEKKJVYRJGVRRZ-GOSISDBHSA-N 432.234 5.508 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)o1 170101030 VSCLVGCAVMARJN-LJQANCHMSA-N 446.261 5.817 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(O)cc2)cc1C 170138514 TWJKSTUIZYJGNB-HSZRJFAPSA-N 435.520 5.010 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1cccnc1)c1cccc2ccccc12 170188522 YILWRIFPTZENRQ-HSZRJFAPSA-N 440.886 5.671 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@H]1c1cccc(OCC)c1 170217677 PJPVDORHUKAXCX-JOCHJYFZSA-N 437.536 5.089 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccccc1 170222593 PCWRATAWMILVKY-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1c[nH]c2ccccc12 170255800 YKIXLIMVSDQUBI-HSZRJFAPSA-N 432.520 5.252 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cn(C)c2ccccc12 170269534 DASWIXSIHUKORY-XMMPIXPASA-N 428.532 5.045 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(Cl)c1)c1ccco1 170369093 XDTRBMGJCYHLNO-GOSISDBHSA-N 430.243 5.075 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2ccc(CC)cc2)c1 170389924 YEEREALUOAQZNH-DEOSSOPVSA-N 442.515 5.216 30 10 IKEE COc1cccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 170432346 WARDARQUWGDJKM-OAQYLSRUSA-N 436.533 5.129 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(F)cc2F)cc1 170454566 VVUSENOQCMVTJZ-OAQYLSRUSA-N 442.506 5.326 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(F)cc2F)cc1 170454576 ZHCRXPAQRWZBHC-HSZRJFAPSA-N 442.506 5.326 30 10 IKEE CC(C)Oc1cccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(N(C)C)cc2)c1 170474918 SYOWMOXCHFURNH-JOCHJYFZSA-N 436.552 5.055 30 10 IKEE CCCCCC/C=C\CCCCCC/C=C\CCCCCC(=O)OCc1ccccn1 204968597 ZFSWZHMQMRYSOJ-DRGLTMLKSA-N 427.673 8.499 30 10 IKEE C=CCn1c(SCCC(=O)Nc2ccc(OC)cc2)nnc1-c1ccc2ccccc2c1 253566281 ITBYDJXKBGIVRD-UHFFFAOYSA-N 444.560 5.414 30 10 IKEE CCCCCNC(=O)c1c(N)n(N=Cc2ccc(C(C)C)cc2)c2nc3ccccc3nc12 254442571 MGAWLYYPIHYBDR-UHFFFAOYSA-N 442.567 5.092 30 10 IKEE CC(C)(C)c1cc(C=Nn2c(-c3ccco3)nc3ccccc3c2=O)cc(C(C)(C)C)c1O 254766417 TWVVUQVGSADJIQ-UHFFFAOYSA-N 443.547 5.839 30 10 IKEE COc1ccc(NC(=O)c2c(N=Cc3sccc3C)sc3c2CCC3)c(OC)c1 263622203 ODRMOBITXDUGII-UHFFFAOYSA-N 426.563 5.627 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(/C=C/C(=O)Cc2cc(F)ccc2Br)cc1 405948474 ZWIKJQPUZYZJNO-UXBLZVDNSA-N 434.305 5.760 30 10 IKEE CCCCCCCCCC[C@@H](N)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 406409014 SEGBDUVQVLTTQD-HXUWFJFHSA-N 441.454 7.327 30 10 IKEE CCOc1cc([C@@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)ccc1OC 526489597 AFZILHPAHSPENL-RUZDIDTESA-N 440.499 5.331 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccc(F)c2)cc1OC 526518303 WTCATHGPFWSBOH-XMMPIXPASA-N 444.462 5.162 30 10 IKEE CCn1cc(/C=N\n2cnnc2SCc2ccc(Br)cc2)c2ccccc21 526820157 WPMILSYCPRIJGM-KSEXSDGBSA-N 440.370 5.190 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)/C=C/c3ccc(F)cc3)C2)c1 586001229 DUCBEENHPHTKJO-ZHSJKAEUSA-N 449.570 5.098 30 10 IKEE C=CCN(C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(CCCCCC)cc1 586180129 NHYKYUCUABHCQP-UHFFFAOYSA-N 447.644 6.776 30 10 IKEE N#Cc1cccc(NC(=O)Nc2cccc(C(=O)Nc3cccc(OC(F)(F)F)c3)c2)c1 586729381 KDXHXJAAKRZTPR-UHFFFAOYSA-N 440.381 5.353 30 10 IKEE C=C(CC[C@@H]1OC1(C)C)[C@H]1CC[C@@]2(C)[C@@H]1CC[C@H]1[C@]2(C)CC[C@H]2C(C)(C)C(=O)CC[C@@]21C 613822074 HKRMRIDUAZDXGO-XOKZDWOGSA-N 440.712 7.754 30 10 IKEE CCCCCCC[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NC 686824499 STWKSMXWGUSIFI-DEOSSOPVSA-N 445.692 5.885 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]2[C@H]1C(C)(C)[C@@H]2Nc1ccc(Br)c(C#N)c1 693707117 QPBDJOZDPSLUMB-NXHRZFHOSA-N 434.378 5.157 30 10 IKEE CC(C)(C)OC(=O)N1CCC([C@@](C)(C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)CC1 698874755 PARNEYDWIQKYQB-RUZDIDTESA-N 449.636 5.876 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 698890969 JWBWOVCBEOOWGT-YADARESESA-N 429.561 5.418 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@H](C#N)c1cccc(Br)c1Cl 706528871 DLQUXJGQMAFQSK-OAHLLOKOSA-N 441.778 6.166 30 10 IKEE c1ccc(CN(CCC/N=C2/NC3(CCCCCCC3)CS2)Cc2ccccc2)cc1 713263238 NMFKAYBFKNFYJY-UHFFFAOYSA-N 435.681 6.254 30 10 IKEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1ccc(C)c(Br)c1C 719631291 DIXMDIQVSRLSPC-GOSISDBHSA-N 438.410 5.210 30 10 IKEE Cc1ccc(C)c(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2cccc(O)c2Cl)c1 735664818 IGLIMJURBBKZKB-UHFFFAOYSA-O 436.944 5.145 30 10 IKEE COC(=O)c1cccc(N=Cc2cc(C)n(-c3sc4c(c3C(=O)O)CCCC4)c2C)c1 1082937253 GYTBIAYMKLVOOZ-UHFFFAOYSA-N 436.533 5.270 30 10 IKEE C#CCOC(=O)/C=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1 1084043251 OTLIBRZUDYKLQB-YVMONPNESA-N 440.120 5.525 30 10 IKEE O=C(CCSc1n[nH]c(NN=Cc2cccs2)n1)N(c1ccccc1)c1ccccc1 1084549897 VKSWAWMUKJVTNW-UHFFFAOYSA-N 448.577 5.159 30 10 IKEE CN1[C@H](c2ccccc2)C[C@H](/N=C/c2ccccc2)[C@@H](c2ccccc2)[C@@H]1c1ccccc1 1613962659 VOXJOUOUCQMCPD-GSQUAJERSA-N 430.595 7.076 30 10 IKEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CCC(n2c(O)nc3ccccc32)CC1 1740844339 YJTRXLJUJZEEQV-GOSISDBHSA-N 436.604 5.291 30 10 IKEE O=C1[C@@H](Cc2cc(Cl)cc(Cl)c2)SC(=Nc2ccccc2)N1c1ccccc1 1772727885 VUNHADRTBPRJGX-HXUWFJFHSA-N 427.356 6.372 30 10 IKEE Cc1csc(N=C2S/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2C2CCCCC2)n1 1772734296 CJYJOFGEVZIWBY-BNCGLULESA-N 428.539 5.296 30 10 IKEE CCOc1cc(/C=C2/SC(=Nc3nc(C)cs3)N(c3ccccc3)C2=O)ccc1O 1772738872 PIWFJCNEPMWPIX-VLTWACRQSA-N 437.546 5.364 30 10 IKEE COc1ccc(/C=C2/SC(=Nc3nc(-c4ccccc4)cs3)N(C)C2=O)cc1OC 1772740650 ZYSFGZZHVNSDPB-VLTWACRQSA-N 437.546 5.061 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)[C@@H](C)CC 1861054357 FCKLOBYWBHQXSM-LAUBAEHRSA-N 443.459 6.395 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cccc(OCC)c1 1861342555 JUQLTEFTPROZGC-XMMPIXPASA-N 442.575 5.042 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)[C@H](C)Oc1ccc(C(C)C)cc1 1861682613 JQZLOUNKAILHQH-CUNXSJBXSA-N 446.676 6.119 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 1862392666 CTCZNGOEIXUDKM-HSZRJFAPSA-N 448.519 5.458 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(C(C)(C)C)cc1 1862420811 RNVDBKOMKOITOK-NRFANRHFSA-N 427.491 5.497 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc(F)c1 1862430287 HNRANNYCFZANPV-OAQYLSRUSA-N 445.918 5.264 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccccc1F 1862430732 QOYKEEUKNIWLFJ-MMACOIQUSA-N 427.903 5.636 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(F)cc2)cc1 1862474982 ZYADHRAWQINMRU-CJAUYULYSA-N 443.518 6.036 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 1862476538 LUMKVHWUCWYZRF-DEOSSOPVSA-N 445.946 5.778 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 1862482021 LLNIEXHGQJXZRQ-HXUWFJFHSA-N 431.454 5.638 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(F)cc2F)c1 1862491391 RSRPCSDWGWSSHA-QHCPKHFHSA-N 439.502 5.883 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccccc1C 1862506822 BCBXYWAQDNDRCT-HSZRJFAPSA-N 439.527 5.228 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(C(F)(F)F)cc1)c1cccc(O)c1 1862596657 GKSARAVKGGJJEB-FQEVSTJZSA-N 445.437 5.322 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2ccccn2)cc1 1862664097 WAUHIROZTQSYAZ-RUZDIDTESA-N 440.543 5.546 30 10 IKEE O=C(C1=C(O)C(=O)N(C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccc(F)cc1)c1ccc(F)cc1 1862672579 DNJSEIGRBFQBJL-TVQFERKRSA-N 449.497 5.512 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(F)cc1F 1862726038 XLCGNJIOSPLVMX-FYSMJZIKSA-N 447.481 6.009 30 10 IKEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@@H]2c2cccc(F)c2)cc1 1862733718 VUGKTPHJDRTDDH-HSZRJFAPSA-N 439.527 5.773 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccccc3Cl)C2=O)cc1C 1862882229 XOEHUVOIZCYUFH-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C)c(Cl)c3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862897259 FLMMQYJZKHHKRS-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CCCCCCCCCCNC1=C(c2cccc3ccccc23)C(=O)N(CCC(C)C)C1=O 1863586382 OGORKZQCMJLOHR-UHFFFAOYSA-N 448.651 6.696 30 10 IKEE CCCCCCCCCCNC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1 1865917296 ANVVYSPKLIOGSV-UHFFFAOYSA-N 435.564 6.096 30 10 IKEE CC(C)c1nc(Nc2ccccc2C#N)cc(N2CCO[C@@H](c3cccc(Cl)c3)C2)n1 1868238132 KULPPJJHOGXHAX-OAQYLSRUSA-N 433.943 5.447 30 10 IKEE CCc1ccc([C@H]2CN(c3cc(Nc4cccc(C#N)c4)nc(C(C)(C)C)n3)CCO2)cc1 1868333293 DWKZQSMGSYMEOO-HSZRJFAPSA-N 441.579 5.530 30 10 IKEE COc1ccc2c(c1)CCN(c1cc(Nc3ccc(C#N)cc3)nc(-c3ccccc3)n1)[C@@H]2C 1868377076 VSYPGYPDGFDRDH-LJQANCHMSA-N 447.542 5.891 30 10 IKEE CCCCCCCCCCn1cc(OCCCCOc2ccccc2C)c(=O)cc1C 1870088549 WMGDWUYGDZYHRO-UHFFFAOYSA-N 427.629 6.844 30 10 IKEE CCCCCCOc1ccc(-n2nnc(C#N)c2NC(=O)c2cc3ccccc3o2)cc1 1870155923 NCPUQLRCRSKXQG-UHFFFAOYSA-N 429.480 5.097 30 10 IKEE C=CCn1cc(OCCCCC)c(=O)cc1CSc1nc2ccc(OC(F)F)cc2[nH]1 1870187914 LXLTUZJSLCIFBP-UHFFFAOYSA-N 449.523 5.373 30 10 IKEE C=CCn1cc(OCCCCOc2ccccc2C)c(=O)cc1CN1C[C@@H](C)C[C@@H](C)C1 1870322182 RIIRXHXPBIPJPO-SZPZYZBQSA-N 438.612 5.059 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(Cl)c(Cl)c2)cn1CC(C)C 1870403983 FZNQCBALRJXCAB-UHFFFAOYSA-N 435.395 5.564 30 10 IKEE CCCCCCCCn1cc(OCC2CCCCC2)c(=O)cc1CN1CCC(CO)CC1 1870483446 SWJWNCWGKQZGRB-UHFFFAOYSA-N 446.676 5.372 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2)c(CNc2ccc(CC)cc2)cc1=O 1870833875 YJOOOBJGBBUUDP-UHFFFAOYSA-N 432.608 6.420 30 10 IKEE CCCCCCCOc1cn(CCO)c(CNc2cc(Cl)cc(Cl)c2)cc1=O 1870838421 CTCQECGYKGDSDM-UHFFFAOYSA-N 427.372 5.109 30 10 IKEE CCCCCCCCn1cc(OCCC(=O)OCC)c(=O)cc1CNc1ccccc1C 1870878410 OJSFUJUZPROPCT-UHFFFAOYSA-N 442.600 5.461 30 10 IKEE CCCCCCCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 1871317440 LAGJLBAXIGUVEF-UHFFFAOYSA-N 432.999 7.513 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/C=C/c1ccccc1)O3)CN(C1CCCCCCC1)CO2 1871348633 JWLQGFBCYHYCQR-FNROFCJXSA-N 429.560 6.432 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1cccc([N+](=O)[O-])c1)C3=O)CN([C@@H]1CCCC[C@H]1C)CO2 1871356191 YUZOMVBSYNKBGC-CGNRGHMUSA-N 434.492 5.250 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OC(=O)CCCOc3ccccc3C)ccc2C1=O 1871369281 DDXQPOLKCHOOTF-XYGWBWBKSA-N 444.483 5.384 30 10 IKEE CCCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2)C3=O)cc1 1871378489 OVPAFVNOUQLHFH-FEJIYUKPSA-N 426.468 5.710 30 10 IKEE Cc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1C)O/C(=C\C=C\c1ccccc1)C2=O 1871408207 BEMLVEYPEUHBTA-RSISHGGSSA-N 439.511 5.882 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(O[C@H](C)C(=O)Nc4cccc(C)c4C)c3C)C2=O)c1 1871413078 AIUHOHBOOPFSLL-UQEONJGVSA-N 441.527 5.942 30 10 IKEE COc1ccc(-c2c(C3CCC3)oc3cc(OCc4ccc(C#N)cc4)ccc3c2=O)cc1 1871417144 DWVSPMFXNJGCOP-UHFFFAOYSA-N 437.495 6.187 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O 1871429700 PIBVVUIPSFYCPX-NHDPSOOVSA-N 448.346 5.637 30 10 IKEE CC(C)(C)c1ccc(/C=C2\Oc3cc(OCC(=O)Nc4nccs4)ccc3C2=O)cc1 1871442154 BRJMTWSBGGQSEL-NDENLUEZSA-N 434.517 5.074 30 10 IKEE CCCCCCCCCCN=c1nc(N(C)CCCC)[nH]c(=Nc2cc(C)ccc2C)[nH]1 1871671343 YJBUYSKWQZNYLP-UHFFFAOYSA-N 440.680 5.865 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)CCCC 1872012612 MOLKANQFYDFHBO-JOCHJYFZSA-N 436.662 5.345 30 10 IKEE CCOc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 1872764500 OOONOATZESLYNT-GOSISDBHSA-N 441.350 5.390 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2C(C)(C)C)=C(c2ccccc2C)C1=O 1873305510 INLMGZRJMPBYBN-UHFFFAOYSA-N 446.635 6.845 30 10 IKEE Cc1ccccc1COc1ccc(/C=N/Nc2oc([C@H]3C[C@@H]3c3ccccc3)nc2C#N)cc1 1873470264 DMJQITRMLOZLON-SVMVUZLFSA-N 448.526 6.151 30 10 IKEE CCCCCCCCCOc1ccc(-c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1OC 1873503010 CDNRENCFQSASOB-UHFFFAOYSA-N 437.584 6.070 30 10 IKEE CC(C)(C)n1ncc(N/N=C/c2ccccc2OCc2ccccc2Cl)c(Cl)c1=O 1873526752 UMHNPYSLTIFXQU-BRJLIKDPSA-N 445.350 5.330 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(Cl)c2)cc2c(NCCC3=CCCCC3)ncnc21 1873638933 CNUUTZHQDNLOTH-UHFFFAOYSA-N 435.959 5.825 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3cccc(Cl)c3Cl)c(=O)oc2c1 1873943647 AYIRINDOUHLKNN-UHFFFAOYSA-N 432.303 5.544 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1cccc(C)c1 1874203990 DSVSOUJGRPBYCL-BHGWPJFGSA-N 447.391 6.023 30 10 IKEE CCCOc1cccc(/C=N/n2c(COc3ccc(C)c(C)c3)nnc2SCCC)c1 1874321242 HFKAJMUIZVEBCM-PCLIKHOPSA-N 438.597 5.647 30 10 IKEE C=CCSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1c(OC)ccc2ccccc12 1874359792 ZKWLUUOKIGIKBO-WPWMEQJKSA-N 442.588 5.808 30 10 IKEE Fc1ccc(Cc2nnc(SCc3ccccc3Cl)n2/N=C/c2cccs2)cc1 1874379619 CHCFOTIHEUWHTH-ZMOGYAJESA-N 442.972 5.897 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3)n2/N=C/c2ccccc2)c1 1874403882 YDPJFFNFOMLQGE-OVVQPSECSA-N 426.589 5.855 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2cccc(F)c2)cc1 1874426868 FBSCZGFDNDYPPK-ZVHZXABRSA-N 433.468 5.167 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2F)n1/N=C/c1cccc([N+](=O)[O-])c1 1874439903 YWIOJEWKVPTIEL-YDZHTSKRSA-N 427.505 5.089 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2C2CCCC2)cc1OC 1874451798 PLPJLCPGEZNOBV-MFKUBSTISA-N 436.581 5.436 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C(F)(F)F)c1 1874462193 LQUUCWCPPSZQKX-NUGSKGIGSA-N 426.851 5.139 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C(C)(C)C)c1 1874482588 HVSOUGHDUUTVHE-OEAKJJBVSA-N 439.541 5.057 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1cc(Cl)ccc1O 1874482874 RUKAPVMBALTKMF-SSDVNMTOSA-N 445.932 5.017 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2sccc2C)cc1 1874483996 ZCIVVPYKAPNKLI-YDZHTSKRSA-N 441.626 5.121 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1c(Cl)cccc1Cl 1874511353 VAGPYLJPZCQXBH-FOKLQQMPSA-N 439.799 6.365 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1 1874578088 VMQMVLWLRIHWOQ-XYOKQWHBSA-N 427.327 6.867 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccccc2OCc2c(Cl)cccc2Cl)c1 1874581107 XJIFSFHYIQNOPK-ZRDIBKRKSA-N 443.326 6.486 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2cccc3ccccc23)c1OCc1ccc(C)cc1 1874583216 CGIVZIBSIDMGGA-CCEZHUSRSA-N 442.942 7.285 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccccc2)c(OCC)c1 1874589387 JOJWUULXHYHJOK-GXDHUFHOSA-N 436.935 6.613 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2cccc(Cl)c2)cc1Cl 1874591052 PTNIZUCIKXLHGK-PKNBQFBNSA-N 443.326 6.486 30 10 IKEE CCCN(CCC)C(=O)COc1cc(/C=C/C(=O)c2ccc(OCC)cc2)ccc1OC 1874595626 WBXCSILYJWOLDF-RIYZIHGNSA-N 439.552 5.017 30 10 IKEE Cc1ccc(C)c(COc2ccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)cc2[N+](=O)[O-])c1 1874603711 AXGMVJZMASPRBB-UKTHLTGXSA-N 441.527 6.566 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)c1 1874604878 JSQJJTSSEZAXSF-ZHACJKMWSA-N 426.871 5.971 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 1874607652 YDJWABJBQPBXFV-FOWTUZBSSA-N 434.963 7.166 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1Cl 1874615080 GHKRABILZCDLHE-DHZHZOJOSA-N 427.972 5.880 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1cc(C)ccc1C 1874616640 LOQVPQCCMSECPZ-GXDHUFHOSA-N 443.543 5.924 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)cc1 1874617153 MYEBWBWMSCRBAX-OQLLNIDSSA-N 445.515 5.398 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c([N+](=O)[O-])c2)ccc1F 1874618853 WCUGMLKRUMLMCM-ONNFQVAWSA-N 436.395 5.426 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1OC(=O)c1cc(C)cc(C)c1 1874693717 SCVARIUDKOAMFA-XYOKQWHBSA-N 440.539 6.306 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C 1874696003 DEUJPKYNCBEVBY-OQLLNIDSSA-N 428.528 6.416 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCc3cccc(OC)c3)c2)cc1 1874701106 BGEDIXJZRLHKFR-MHWRWJLKSA-N 430.500 5.528 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1OC(=O)CCCSC 1874713298 PPMRWCXLLLGYDF-CSKARUKUSA-N 428.550 5.265 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OC(=O)C1CC1 1874713587 FELBUTXISXERCQ-CMDGGOBGSA-N 429.310 5.286 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OC(=O)c1ccccc1[N+](=O)[O-] 1874716376 PANZBQFORWPHSW-PKNBQFBNSA-N 445.471 5.644 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(C)cc3)c2)cc1C 1874718382 WJTFAURCEAKBEA-XYOKQWHBSA-N 430.500 5.744 30 10 IKEE C=CCN(CC=C)CCC(=O)c1cccc(NC(=O)c2ccc(OCCCCCC)cc2)c1 1874722189 WODVRUIIRNFZQS-UHFFFAOYSA-N 448.607 6.145 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1[N+](=O)[O-] 1875097583 SARBCFSMISMKKS-RVDMUPIBSA-N 435.520 6.246 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(CC)cc3)cc2Cl)c1 1875100052 LNHOGFSPNDPZCT-GXDHUFHOSA-N 434.919 6.416 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OC 1875127420 DEFCIRPXENUQCF-MHWRWJLKSA-N 428.956 6.901 30 10 IKEE CSCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1Cl 1875146490 WVEAOFGEKURTPF-QPJJXVBHSA-N 432.925 5.056 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 1875155756 SEKRVCHVPDSTER-QLKAYGNNSA-N 449.890 6.487 30 10 IKEE Cc1cc(C(=O)Oc2ccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)cc2)ccc1[N+](=O)[O-] 1875168477 FCJROKYDSIOZCY-MDWZMJQESA-N 443.499 6.252 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(OC)c(Cl)cc2OC)ccc1OC(=O)C(C)C 1875173109 AUAPTFSJYOXDGY-VQHVLOKHSA-N 432.900 5.213 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)c1cncc(C)c1 1875182586 KYLVIVORIWCELB-BQYQJAHWSA-N 445.515 5.448 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3F)c([N+](=O)[O-])c2)c(C)c1 1875183328 VTGHWQLIWPURBN-CSKARUKUSA-N 447.462 5.703 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3cccc(F)c3)c(Cl)c2)cc1C 1875187797 HPJJBFDUBLPTOP-VQHVLOKHSA-N 438.882 6.220 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1 1875191458 NGLMJPAENHRDRK-MDWZMJQESA-N 441.310 6.046 30 10 IKEE C#CCN(Cc1ccccc1)C(=O)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 1885430279 YSXWOGKERFCEAP-UHFFFAOYSA-N 443.341 5.072 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(CCC)CCN(C(=O)OC(C)(C)C)C1 1922068432 IORCYVGKOSGDRM-OZXSUGGESA-N 430.633 5.555 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1cccc(NC(=O)OC(C)(C)C)c1F 1922092876 XADQKCFWSSBHLI-QHCPKHFHSA-N 428.548 5.986 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@H]1Nc1ccc(Br)c(C#N)c1 1924929310 URKITNYKQCLLNY-KSSFIOAISA-N 434.378 5.206 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1929535721 RLADQCKNULZYRB-NTKDMRAZSA-N 429.561 5.153 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@@](C)(C#N)[C@@]1(C)CCN1C(=O)OC(C)(C)C 1999896365 ICDDZJJKMXYCKC-PKTZIBPZSA-N 433.524 5.249 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@](C#N)(N(C(=O)OC(C)(C)C)C3CCCC3)C[C@@]2(C)C1 2005134817 KXKFCCPLJCMMFV-DPSWKAHMSA-N 433.593 5.095 30 10 IKEE C=CCCCCCCCCC(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2026311787 CHDHENKGUWAPPL-QHCPKHFHSA-N 430.633 5.888 30 10 IKEE C=CCCCCCCCC[C@@H](O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2026314706 VJCZALAKIPMABG-XMMPIXPASA-N 432.649 5.681 30 10 IKEE CCN[C@H](CC#CC1CCCCC1)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2032498787 ACVGKBNROODQTE-NQHRYMMQSA-N 442.644 5.437 30 10 IKEE COc1ccccc1-c1nnc(S[C@@H](C)C(=O)C=C2N(C)c3ccccc3C2(C)C)o1 2040490410 OHTXOTIBCSORPK-HNNXBMFYSA-N 435.549 5.106 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@]1(C#N)C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 2070323970 ARQPHMFWARCBCW-JYEBCORGSA-N 436.527 5.845 30 10 IKEE Cc1ccc([C@@H](C(C)C)n2nc(C(F)F)c(/C=N/O)c2I)c(C)c1 2079099377 INVCRBLTMZXKPR-JURJYWISSA-N 447.267 5.096 30 10 IKEE CCc1ccc([C@@H](C2CCC2)n2nc(C(F)F)c(C#N)c2I)cc1 2079137027 GZOGYFHVIGWYSS-MRXNPFEDSA-N 441.263 5.249 30 10 IKEE CC1([C@H](c2ccc(C3CCC3)cc2)n2nc(C3CC3)c(C=NO)c2Br)CC1 2079952228 FQVQLKDNQPDUTE-FQEVSTJZSA-N 428.374 5.988 30 10 IKEE CC(C)(C)[C@@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)(F)F)c(C=NO)c1N 2079971270 FBDXCHXFENQSQE-CYBMUJFWSA-N 426.336 5.086 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2c(Cl)cccc2Br)c1 2094995734 XQIFBNORGRJVLW-KRWDZBQOSA-N 435.749 6.417 30 10 IKEE CC[C@@H]1C[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)C[C@](C#N)(NC(C)C)C1 2118760235 GYPMCONLUFDGDP-MOZWKJSSSA-N 446.683 5.460 30 10 IKEE CC[C@H](C)[C@H]1CSC(=Nc2ccc(Cl)c(I)c2Cl)N1 2136530576 HVFFGYPCHKRAMN-OIBJUYFYSA-N 429.154 5.337 30 10 IKEE CC1(C)CC[C@H](CNc2cc(Br)c(C#N)cc2F)N(C(=O)OC(C)(C)C)C1 2162383117 IMNOSZVEIFIMDR-CQSZACIVSA-N 440.357 5.297 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCC[C@@H]2Nc2ccc(Br)cc2C#N)CC1 2162398422 VBBUMJLRPIGPLM-SFHVURJKSA-N 434.378 5.302 30 10 IKEE N#Cc1c(F)cc(Br)cc1NCCc1ccc(OCc2ccccc2)cc1 2163689649 ISHVGYIASMVFPD-UHFFFAOYSA-N 425.301 5.693 30 10 IKEE CC[C@H]1CN(c2cc(Cl)c(F)cc2C#N)[C@@H](CC)CN1C(=O)OCc1ccccc1 2184423572 SNSVEMULHINHDW-OALUTQOASA-N 429.923 5.367 30 10 IKEE CC(C)(C)OC(=O)NCc1ccc(Cl)cc1Nc1cccc(Br)c1C#N 2268701971 SGAGURCZBJZQLY-UHFFFAOYSA-N 436.737 5.742 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](Nc2ccc(C#N)cc2Br)C[C@H]2CCCC[C@@H]21 2279521393 KPBZNMUVGDBEIP-MDZRGWNJSA-N 434.378 5.301 30 10 IKEE CCCCCCCC[C@@H](N)[C@](C)(O)c1cc(Br)c(Br)s1 2281282832 YVQBQUVJFIWOME-DOMZBBRYSA-N 427.246 5.559 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)cc(C(C)(C)C)c1 2288652745 QKUWAVHAVYDJPX-RTBURBONSA-N 439.438 5.867 30 10 IKEE CCN[C@@H](CC#CC1CCCC1)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2289841141 ABNURDITFZPDGW-FQEVSTJZSA-N 435.406 6.030 30 10 IKEE COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@H]3C=Cc2ccccc2)cc1 2294335075 LFSSYFWGTHSGLA-LVXARBLLSA-N 447.538 6.126 30 10 IKEE COc1cccc(C=NC[C@]2(O)CC[C@@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]32C)c1O 2297472089 PFLCXOYUUHWAGR-MEBNOUDISA-N 439.640 5.984 30 10 IKEE CCCCCCCCC=CCCCCCCCC(=O)N[C@H](CCCC(=O)O)C(=O)O 2297623778 PDUXIYCRIXJPLF-OAQYLSRUSA-N 425.610 5.848 30 10 IKEE O=C1CCCC2=C1[C@H](C=Cc1ccccc1)N1NC(SCc3ccccc3Cl)=NC1=N2 2313680966 GBRGSDZGDPAQHL-FQEVSTJZSA-N 448.979 5.208 30 10 IKEE C=CCC1([C@@H](NCC)c2ccc(OCc3ccccc3)cc2)CN(C(=O)OC(C)(C)C)C1 2314447576 ZNKHOWNTXCIULN-DEOSSOPVSA-N 436.596 5.729 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2Cl)SC(=Nc2ccccn2)N1c1ccccc1 2314541196 HABIZVFLVFAIQA-UHFFFAOYSA-N 426.328 6.197 30 10 IKEE CCOc1ccc(C=C2SC(=Nc3cccnc3)N(C3CCCCC3)C2=O)cc1OC 2314542671 XOXZJUHCZPKKPM-UHFFFAOYSA-N 437.565 5.426 30 10 IKEE C[C@@H]1CC[C@H](C#N)[C@H](Sc2cc(I)ccc2Br)C1 2316473562 XTWYFWMNBOZJEA-GIPNMCIBSA-N 436.156 5.474 30 10 IKEE CCCN[C@](C#N)(CCC1CC1)CN(CCN(C)Cc1ccccc1)Cc1ccccc1 2318404311 CTNZJYJTQQUFSM-NDEPHWFRSA-N 432.656 5.073 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1N=Cc1cccc(C(F)(F)F)c1 2318571308 HKWFMENGTFETNS-UHFFFAOYSA-N 436.478 5.953 30 10 IKEE Cc1c(OCc2ccc(F)cc2Cl)ccc2c1OC(=Cc1cccc(Cl)c1)C2=O 2321863049 WERQCQJNWRMNJQ-UHFFFAOYSA-N 429.274 6.636 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1cccc(Br)c1)O3)CN(C1CCCC1)CO2 2322016146 HXMGSRUDLLTIQW-UHFFFAOYSA-N 440.337 5.468 30 10 IKEE CC[C@H](C)N1COc2cc(C)c3c(c2C1)OC(=Cc1ccccc1Br)C3=O 2322092039 DGFQPVBJJFGPNO-AWEZNQCLSA-N 428.326 5.324 30 10 IKEE CCCCCCCCN1COc2ccc3c(c2C1)OC(=Cc1ccc2c(c1)OCO2)C3=O 2322188395 RTVAJJAWFIKATG-UHFFFAOYSA-N 435.520 5.544 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc4c(c1)OCO4)C3=O)CN([C@H]1CCCC[C@H]1C)CO2 2322391650 LKHJUWMNFFEARM-QRWLVFNGSA-N 433.504 5.071 30 10 IKEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1cccc(Cl)c1)Nc1ccc(F)cc1 2322527768 IRZFKTCTTDGLEM-UHFFFAOYSA-N 444.289 6.046 30 10 IKEE COC(=O)COc1ccc(Br)cc1C=CC(=O)c1ccc(Cl)c(Cl)c1 2322580826 QDJNEMXWLVPSEB-UHFFFAOYSA-N 444.108 5.204 30 10 IKEE Cc1ccc(-n2ncc(NN=Cc3ccc(C(C)(C)C)cc3)c(Br)c2=O)cc1 2322634610 UHHRNNHGUPZEMS-UHFFFAOYSA-N 439.357 5.047 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1)c1ccc2c(c1)OCO2 2322698871 DIKGCCIXZBGBSR-UHFFFAOYSA-N 427.283 6.197 30 10 IKEE Cc1cc(OC(=O)c2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)O2 2322701152 UPAQXKJBNGIJOC-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE Cc1cccc(COc2ccc(Br)cc2C=CC(=O)c2ccc(F)cc2)c1 2322747908 GCWVYOIKQUDDFO-UHFFFAOYSA-N 425.297 6.372 30 10 IKEE COC(=O)COc1ccc(Cl)cc1C=CC(=O)c1cc(Cl)cc(Cl)c1OC 2322829472 YNINXGJJOLGNQM-UHFFFAOYSA-N 429.683 5.103 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCc3ccccc3C)ccc3ccccc23)cc1Cl 2322975042 BVEALOJJJCVSNS-UHFFFAOYSA-N 442.942 7.285 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3ccccc3CC)c2)cc1 2323135317 FEUULYFDPIXNAZ-UHFFFAOYSA-N 429.516 5.561 30 10 IKEE Cc1cc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2Cl)C3=O)ccc1[N+](=O)[O-] 2323279811 RQMXWFAERWEUIW-UHFFFAOYSA-N 449.846 5.700 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(=O)c4cccc5ccccc45)cc(C)c3C2=O)c1 2323480218 XPDCYNWFTGDJHP-UHFFFAOYSA-N 436.463 5.992 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3cccc4ccccc34)c([N+](=O)[O-])c2)cc1 2323631131 UNTUZHGEECEKAM-UHFFFAOYSA-N 439.467 6.232 30 10 IKEE CCCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccs2)C3=O)c1 2323917435 CGZOQOFQEIULTG-UHFFFAOYSA-N 434.469 5.289 30 10 IKEE COC(=O)c1ccc(COc2c(Cl)cc(C=CC(=O)c3ccc(F)cc3)cc2OC)o1 2324175837 AMJGCBRHZQVOHV-UHFFFAOYSA-N 444.842 5.342 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OCC(=O)Nc1cc(C)cc(C)c1 2324195045 UNFBYGYEASYMSK-UHFFFAOYSA-N 447.506 5.755 30 10 IKEE Cc1cc(OCCCOc2ccccc2)cc2c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O2 2324241241 DFQIHNPDOGPYSN-UHFFFAOYSA-N 442.555 6.757 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OCc1ccccc1F 2324380759 NRSYRNMNNFXTRG-UHFFFAOYSA-N 434.507 6.325 30 10 IKEE N#C[C@H](C(=O)C=Cc1ccccc1Cl)c1nc(-c2ccc(Br)cc2)cs1 2324416689 VNPYWSSROAPWHZ-MRXNPFEDSA-N 443.753 6.116 30 10 IKEE COc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1ccccc1Cl)C2=O 2324465052 RVDSHGNXHDVOLP-HNNXBMFYSA-N 449.890 5.371 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OCC(=O)OCC(C)C)c(Cl)c2)cc1C 2324630934 VRLGVUOEZVOKSH-UHFFFAOYSA-N 430.928 5.440 30 10 IKEE CC(C)(C)c1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1 2324817294 MKZQKHSJGWQFNF-INIZCTEOSA-N 426.994 6.712 30 10 IKEE CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1C)OC(=Cc1ccc(Cl)cc1Cl)C2=O 2325086355 JTLOXGPVSHUHMR-GOSISDBHSA-N 449.330 6.029 30 10 IKEE CCCCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(OC)cc1 2325528910 RBPGFYRBNGITLV-UHFFFAOYSA-N 449.407 6.111 30 10 IKEE CCCCCOc1ccc(C=Nn2c(CCC)nnc2SCc2cccc(C)c2)cc1 2325547180 IDHRQTLIJVNLMQ-UHFFFAOYSA-N 436.625 6.283 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1OC(=O)c1cccc2ccccc12 2325729321 CWEHREXLYGQKDY-UHFFFAOYSA-N 442.898 6.617 30 10 IKEE COc1ccccc1CC(=O)Oc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC 2325739865 TZYYMSMKMPGNPP-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE CCOc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc(F)c(C)c3)c2)cc1 2325742162 SRLHKIXJSGWBBL-UHFFFAOYSA-N 434.463 5.413 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1OC(=O)c1ccccc1C 2325756540 CHJVIWUPKJPFGP-UHFFFAOYSA-N 428.528 6.353 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1ccc(Cl)cc1Cl 2326442797 TZYBKBJPKKMDNK-UHFFFAOYSA-N 433.408 6.329 30 10 IKEE COc1ccc(Cc2nnc(SCc3cc(C)ccc3C)n2N=Cc2cccnc2)cc1 2329278007 KOAVVAHZVARLEF-UHFFFAOYSA-N 443.576 5.064 30 10 IKEE Cn1cccc1C=Nn1c(SCc2ccccc2F)nnc1-c1ccccc1Cl 2329607619 IWTFHMUGRSXJRC-UHFFFAOYSA-N 425.920 5.251 30 10 IKEE Cc1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCc2cc(C)ccc2C)cc1 2329842670 BYBVPVWWZVUXGF-UHFFFAOYSA-N 444.579 6.108 30 10 IKEE CC(C)(C)CC(=O)Oc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1Br 2330627933 PZWORICZBRNMQB-UHFFFAOYSA-N 446.297 5.595 30 10 IKEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)[C@@H](C)c1ccccc1 2330647950 QMCGBWFBPCMTBN-KRWDZBQOSA-N 431.444 5.209 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)C(C)(C)C)c(Br)c2)cc1OC 2330718744 CEEJFTJZKBYDFP-UHFFFAOYSA-N 447.325 5.314 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)cc([N+](=O)[O-])c1OC(=O)c1ccccc1 2330761579 SCAAMGVTLKZEOC-UHFFFAOYSA-N 445.471 5.671 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2Cl)cc(OC)c1OC(=O)c1ccccn1 2330949303 SXVYCGRYOIXTFI-UHFFFAOYSA-N 433.891 5.587 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)Cc3cccs3)c(OC)c2)cc1 2330951220 XXRDVUGQYGTTSR-UHFFFAOYSA-N 442.920 5.463 30 10 IKEE Clc1ccc(CSc2nnc([C@H]3CCCO3)n2N=Cc2cccc3ccccc23)cc1 2330993427 JUAAEEJAEDEBRJ-JOCHJYFZSA-N 448.979 6.111 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCCC3)n2N=Cc2ccccc2OC(C)C)c1 2331071643 AZYZVPBXBYWSDN-UHFFFAOYSA-N 448.636 6.514 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)c1cccnc1 2331081699 DVRIZFHWOWYJAD-UHFFFAOYSA-N 429.806 5.137 30 10 IKEE CC(C)COC(=O)CSc1nnc(C2CCCC2)n1N=Cc1cccc2ccccc12 2331092647 LGFCXDQAFLPSLJ-UHFFFAOYSA-N 436.581 5.262 30 10 IKEE CCSc1nnc(C(F)(F)F)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2331129320 DZIKDVHQUUCVLP-UHFFFAOYSA-N 440.878 5.524 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)COc1ccccc1CC 2331179241 CATTVRGFVMJHON-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)Cc1ccc(OC)cc1 2331182714 BYPNFVLCQNKLER-UHFFFAOYSA-N 442.511 5.477 30 10 IKEE CCCCC(=O)Oc1c(OCC)cc(C=CC(=O)c2ccc(OCC)cc2)cc1[N+](=O)[O-] 2331205215 PRHALPKRIYJKKJ-UHFFFAOYSA-N 441.480 5.384 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Br)c1OC(=O)CC 2331232010 ZIRSAVVGEIBFDP-UHFFFAOYSA-N 431.326 5.676 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3)cc2Cl)c1 2331266021 RHVACSQHQAHNLM-UHFFFAOYSA-N 434.919 6.091 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(Br)c1OC(=O)c1ccco1 2331281589 RPQXVKNFRYEFJM-UHFFFAOYSA-N 441.277 5.474 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2OC)c1 2331330063 PZWNPGQQNCCQPP-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE CSc1nnc(C2CCC2)n1N=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2331478822 ZAIOYLYHERMZIB-UHFFFAOYSA-N 447.391 6.036 30 10 IKEE CCCCCCOc1ccc(C=Nn2c(SCCC)nnc2C2CCC2)cc1OC 2331534401 AIRUGZRYWPZVDE-UHFFFAOYSA-N 430.618 5.898 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)Cc1ccc(F)cc1 2331657501 QLBWGKPSUFRLJX-UHFFFAOYSA-N 446.518 6.112 30 10 IKEE CCc1ccc(C=Nn2c(SCC(=O)Nc3cc(C)ccc3C)nnc2C(C)C)cc1 2331669968 XUPZYDMDCZQNTK-UHFFFAOYSA-N 435.597 5.194 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2cncc(C)c2)c(Cl)c1 2331876590 KJKGMMQNZDCGNH-UHFFFAOYSA-N 442.298 5.821 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@@H]3C[C@H](OCc4ccccc4)C[C@@H]32)c1 2331989910 XJQJELMVLBYJKX-VETGKBFTSA-N 448.563 5.714 30 10 IKEE C=CC[C@](C)(CC)[C@@H](Cc1ccc(I)c(Br)c1)NC 2349778249 JPKULEXPWWGJOG-CVEARBPZSA-N 436.175 5.177 30 10 IKEE CCCCCCCCCC[C@@H](N)c1cc(Br)ccc1OCc1ccccc1 2361194794 KQBYVJGFDHWDFJ-HSZRJFAPSA-N 432.446 7.559 30 10 IKEE Cc1c(Br)csc1C(=O)N1CC(B2OC(C)(C)C(C)(C)O2)=CCC1(C)C 2362502859 JRQIRJFJBAEKTB-UHFFFAOYSA-N 440.212 5.001 30 10 IKEE CC(C)(C)OC(=O)N[C@@]1(C)C[C@H]2CC[C@H]1C[C@@H]2Nc1ccc(Br)cc1C#N 2380857464 WFJNKURCBZZLSZ-YCNDBHRSSA-N 434.378 5.205 30 10 IKEE CC(C)c1ccc(-c2c(C#N)c(N)nc(S[C@H](C(=O)O)c3ccccc3)c2C#N)cc1 22868752 GUXGLSFKXLRSDO-NRFANRHFSA-N 428.517 5.116 30 10 IKEE O=C1NC(=N/c2cccc(O)c2)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)S1 33568040 VHLRJIQEUMASGS-YVLHZVERSA-N 431.300 6.487 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1ccccc1 34954565 ZJDQWYLQDKZFMS-LDADJPATSA-N 434.491 6.478 30 10 IKEE Cc1ccc(COc2ccccc2/C=C2\S/C(=N/c3cccnc3Cl)N(C)C2=O)cc1 39863718 VLTHJFSQUWTXJP-WSUVFPRVSA-N 449.963 5.856 30 10 IKEE C=CCc1ccccc1OCCCn1c([C@@H](C)NC(=O)c2ccccn2)nc2ccccc21 40185067 DMMSAZQWWMVVGE-HXUWFJFHSA-N 440.547 5.120 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc(C(C)(C)C)cc3)cc(C)c2C1=O 41288624 QNYURTPHWAFTQK-IWIPYMOSSA-N 426.512 6.436 30 10 IKEE CCOC(=O)c1c(/N=C/c2ccc3c(c2)c2ccccc2n3CC)sc2c1CCCC2 59460190 IQWGKELOSXOKEB-JVWAILMASA-N 430.573 6.682 30 10 IKEE CSc1nc2ccc(/N=C/c3ccc(SCC(=O)Nc4ccccc4)o3)cc2s1 59501331 JTXRDGULOMDMJQ-WSDLNYQXSA-N 439.587 6.093 30 10 IKEE CCc1ccccc1N/C(=N\C(=O)c1cccc(OC)c1)NCCc1c[nH]c2ccccc12 66437780 NRFPAIOVYQQYQK-UHFFFAOYSA-N 440.547 5.180 30 10 IKEE biogenic CCCCCCCOc1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)NC(C)=O)cc1 100155450 CPJDOPJEMMFDNS-QJOMJCCJSA-N 439.512 5.060 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2cccc(OCCCCCCC)c2)cc1 100246290 JJWFAPAMSRSWKG-UHFFFAOYSA-N 425.613 7.637 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)S/C1=N/c1cccnc1 101124796 IWTYAKITNIYQRX-TVIFTAOPSA-N 444.343 6.272 30 10 IKEE CCCCCCCCCCn1c(CCCNC(=O)c2ccccc2C)nc2ccccc21 102149171 BJXDNGSIDMJHCI-UHFFFAOYSA-N 433.640 6.848 30 10 IKEE CCCCCCCCCCn1c([C@@H](C)NC(=O)c2cccc(Cl)c2)nc2ccccc21 102225184 JBTJCKBPWRFEEM-HXUWFJFHSA-N 440.031 7.321 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C/c1ccc(-c3ccccc3)cc1)C2=O)c1ccccc1 107933500 PMDYBFYOGLFGNL-OGLMXYFKSA-N 432.475 6.232 30 10 IKEE COc1ccc(/C=N\n2c(S)nnc2-c2ccccc2)cc1OCc1ccc(C)cc1 169911901 NXEHHNMDALVQTG-MYYYXRDXSA-N 430.533 5.012 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(OC)cc2)cc1 169921237 ZPQLFHCUQWAQRM-QFIPXVFZSA-N 433.529 5.098 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccc(C)cc2C)c1 169935558 ZPVHJUWSRLKSQY-XMMPIXPASA-N 445.490 5.542 30 10 IKEE CCOc1cc(/C=N\NC(=S)NCc2ccccc2)ccc1OCc1cc(C)ccc1C 169940213 SARCXKISIOBBFD-QRQIAZFYSA-N 447.604 5.279 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccc(O)cc2)cc1 169960186 AFOWPRYARNKMIX-XMMPIXPASA-N 443.499 5.191 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2cccs2)c1 169982851 ZUMYROBFGSFHCD-HSZRJFAPSA-N 447.556 6.053 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)[C@@H]2c2ccccc2)cc1 170053807 ABUVVOWBVYINCX-XMMPIXPASA-N 443.499 5.265 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@@H]2c2ccc(F)cc2)cc1 170061683 VOSBGANAOMJGMQ-XMMPIXPASA-N 429.491 5.733 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)C)cc2)cc1C 170067765 NMMAFLUHPBUQDZ-RUZDIDTESA-N 440.543 5.600 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC)c3)[C@@H]2c2ccc(C)o2)cc1 170101310 BWACPJIAURLPMX-QHCPKHFHSA-N 447.487 5.168 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1OC 170122302 BAIZKHZRHKNOTE-QFIPXVFZSA-N 449.890 5.140 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccs1 170162556 DFNCITXYQGBMSM-OAQYLSRUSA-N 435.545 5.726 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2cccnc2)cc1C 170187174 PYSAZGWADMRACC-DEOSSOPVSA-N 442.515 5.188 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C(C)(C)C)ccc3C)[C@H]2c2ccccc2)c1 170224116 URXAPWLOSLOWQG-RUZDIDTESA-N 439.555 6.384 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(Cl)cc1)c1ccc2ccccc2c1 170235512 UHFFKQAHQHERCZ-HSZRJFAPSA-N 443.886 5.865 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2F)c1 170249049 RASIPGPPWIJMDC-XMMPIXPASA-N 445.490 5.643 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@H]1c1c[nH]c2ccccc12 170255557 XUQHGDHJMVWPIX-HSZRJFAPSA-N 446.547 5.462 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccco2)c1 170281571 BDTJSDMCVLZJTH-JOCHJYFZSA-N 435.451 5.236 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccc(C)o2)cc1 170300677 HNEZHUQCJPKRAQ-RUZDIDTESA-N 441.527 5.812 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C2CCCCC2)o1 170308241 NUBQHDNXWMCROA-IBGZPJMESA-N 434.319 5.806 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1c1ccccc1O 170314572 TUMFMQOXLYUMJJ-GOSISDBHSA-N 425.893 5.198 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(N(C)C)cc2)cc1 170452112 QMEDHFFAKQERGR-RUZDIDTESA-N 449.595 5.114 30 10 IKEE CN(C)c1ccc(/C=C/C=N/N=C2/CC[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]23C)cc1 252511759 KJCIEPRMJJUJPF-QKHISZCPSA-N 445.695 7.625 30 10 IKEE CCN1C(=O)/C(=C2/C=Cc3ccccc3N2CC)SC1=Nc1ccc2sc(C)nc2c1 252589390 AKHOKHGINBMDAY-NBVNDLIRSA-N 446.601 5.952 30 10 IKEE CCOc1ccc(N=C2S/C(=C/c3ccc(OCC)c(OC)c3)C(=O)N2CC)cc1 252631157 VIWOCADVAOAYEJ-QQAFOXPBSA-N 426.538 5.117 30 10 IKEE Cc1cccc(N=C2S/C(=C3/Sc4ccccc4N3C)C(=O)N2c2ccc(O)cc2)c1 254527412 KEUSPPSJYVNLFB-CSFSZXLXSA-N 445.569 5.879 30 10 IKEE FC(F)(F)c1cccc(N=Cc2c(-c3ccccc3)n(-c3ccccc3)c3ccccc23)c1 254658282 NDOKULJLTOQEMO-UHFFFAOYSA-N 440.468 8.067 30 10 IKEE CCOc1ccc(/C=C2\SC(=Nc3cccc(C)c3)N(CCCSC)C2=O)cc1 254705951 RAZKWSMPVZRHGS-NXZXOXKRSA-N 426.607 5.751 30 10 IKEE Cc1ccc(C(CCCCCCCCCCC(=NO)c2ccc(C)cc2O)=NO)c(O)c1 254793561 QPVDDKNWUHWKDG-UHFFFAOYSA-N 440.584 6.672 30 10 IKEE N#Cc1cc(F)c(NCCc2ccc(OCc3ccccc3)cc2)cc1Br 313724587 WXBQSQHTINTDJY-UHFFFAOYSA-N 425.301 5.693 30 10 IKEE CCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1c(C)[nH]c2ccccc12 526805245 CRLLKNNHNOQXJO-YUMHPJSZSA-N 445.636 6.492 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1cccc(OC)c1 526814905 LZQBRGOTTROAHE-FMCGGJTJSA-N 435.380 5.721 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1cccc(Br)c1 526825752 JZSDQGFGWNEVNE-QRVIBDJDSA-N 447.377 5.697 30 10 IKEE CC(C)(C)c1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 586210127 DLTIHKXPKKXJND-UHFFFAOYSA-N 449.532 5.159 30 10 IKEE CC[C@@H]1CCCCN1C(=O)Nc1ccc(C(=O)Nc2scc(C(C)(C)C)c2C#N)cc1 586681435 YUAMABZXFVUEHE-GOSISDBHSA-N 438.597 5.966 30 10 IKEE C[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)c2ccccc21 698402772 BBKCGQZYNBVNBE-IVZQSRNASA-N 427.342 6.117 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 698471499 UOEZGHIIIALDGT-CYFREDJKSA-N 429.561 5.418 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1csc2ccccc12 698488560 LHNCXESGGXCNKD-SFHVURJKSA-N 443.366 6.670 30 10 IKEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@@H](C#N)c1ccc(Cl)cc1Br 698828127 KPYMLUFVUQKWIZ-LBPRGKRZSA-N 427.648 5.467 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@](C)(C#N)CCCC(F)(F)F 710834125 WTGSFHUBLRXHIG-QGZVFWFLSA-N 435.284 6.205 30 10 IKEE CSc1nc(O)c(C(=O)Nc2ccc3c(c2)CN(c2ccc(C(C)C)cc2)C3)cc1C#N 772933934 MJCNMNMZWWHAOW-UHFFFAOYSA-N 444.560 5.277 30 10 IKEE C=C(C)CNC(=S)/C(=C(/O)c1cc(Cl)ccc1Cl)[n+]1c(C)ccc(O)c1Cl 777510417 GWWNENFWTJTJHG-UHFFFAOYSA-O 444.791 5.325 30 10 IKEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCC(n2c(O)nc3ccccc32)CC1 1740844340 YJTRXLJUJZEEQV-SFHVURJKSA-N 436.604 5.291 30 10 IKEE COc1ccc(C(=O)ON=C2C[C@@]3(C(=O)Nc4ccc(C)c(C)c4)CC[C@@]2(C)C3(C)C)cc1 1772722828 WULJZEQYEHEHDW-KAYWLYCHSA-N 448.563 5.680 30 10 IKEE O=C(O)c1cccc(N=C2S/C(=C\c3ccccc3Cl)C(=O)N2C2CCCCC2)c1 1772738461 VWDOLOFXXSFBPK-VASVRFFCSA-N 440.952 5.975 30 10 IKEE COc1ccccc1/C=C1/SC(=NN=C/C=C\c2ccccc2)N(Cc2ccco2)C1=O 1772759559 UVUWVKGQHWAVAS-OCNLJNIASA-N 443.528 5.460 30 10 IKEE CC(C)(C)c1nc2ccc(C(=O)Nc3cccc(C(=O)Nc4ccccc4C#N)c3)cc2[nH]1 1859120375 XWMLBTUFFWXXPM-UHFFFAOYSA-N 437.503 5.237 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC(C)C)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] 1861133874 KJDHPJKXKZEYEE-NBRGKURFSA-N 445.604 5.396 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CC(C)C)cc1 1862385751 XGMBKFOLPBLCLP-LJQANCHMSA-N 434.319 5.236 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2ccc(O)c(OC)c2)cc1 1862397216 OKJGBLSLQXPGCV-QMHKHESXSA-N 437.536 5.120 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCC(C)C)cc1 1862418919 OAMYQQOWUUAIDV-QFIPXVFZSA-N 443.490 5.378 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1cccc2ccccc12 1862420977 SZSGIXIWAIZPRT-QHCPKHFHSA-N 435.470 5.887 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccccc2Cl)=C(O)C(=O)N1CCc1ccc(F)cc1 1862429322 KPPUQQSRROQFHD-HSZRJFAPSA-N 449.909 5.609 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(C(C)C)cc1 1862433201 XGVVXBNATRYDBK-OAQYLSRUSA-N 427.928 5.078 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(Br)cc1 1862438907 GKNPMGAOXDSNMF-SFHVURJKSA-N 448.744 5.481 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc(Br)c1 1862440210 VBAJLNGGJSDEBR-GOSISDBHSA-N 448.744 5.481 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2ccc(C)cc2)cc1 1862475566 PLQXLFFOSAJEOL-RUZDIDTESA-N 425.528 5.515 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccc(O)cc2)c1 1862490355 UAEDWVPODJXMIF-XMMPIXPASA-N 427.500 5.096 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(C(C)C)cc1 1862493549 SMNUIXGNHXLHDO-XMMPIXPASA-N 435.564 5.432 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2c(F)cccc2Cl)c1 1862494723 ORYNGMDCJYITPV-QFIPXVFZSA-N 441.930 6.007 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(C)cc2)cc1 1862514919 NFOBLNMPYNDDBO-XMMPIXPASA-N 433.548 5.695 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)c1 1862532949 HVCFZTHVHUGYMN-VVMVZBAXSA-N 447.575 5.805 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cccc(F)c1 1862544748 KLMVTLPKZKVDNU-WQWSHVPRSA-N 447.550 5.862 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2Cc2ccncc2)cc1 1862649635 CJAUSSPIFJMIKD-SANMLTNESA-N 448.522 5.576 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(F)cc2F)cc1 1862661806 SFSUMMHHWKOYLD-HSZRJFAPSA-N 448.469 5.262 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C(C)C)cc3)[C@H]2c2ccccc2C)c1 1862663128 PRDBDJXFSKUBLQ-AREMUKBSSA-N 439.555 6.205 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2C2CCCCCCC2)c1 1862746225 BCKNAWULCCISHH-QHCPKHFHSA-N 448.519 5.594 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C)c(Cl)c3)C(=O)N(c3ccccc3C#N)C2=O)cc1C 1862885053 KDFYLCDECODBBX-UHFFFAOYSA-N 441.918 5.534 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(OC(C)C)cc3)C2=O)cc1 1862986985 QHAPCOGIUBXBEM-UHFFFAOYSA-N 437.499 5.051 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(Cl)cc3)C2=O)c1 1863024434 NCGRKDJGOFFXSP-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(Cl)cc2)C1=O 1863180096 USPDHSWNOLOJPD-HXUWFJFHSA-N 435.955 5.763 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2Cl)C(=O)N(Cc2ccco2)C1=O 1863772054 MPTCZJPESAVUQT-UHFFFAOYSA-N 442.987 5.943 30 10 IKEE COc1ccc(C#N)c(NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)O)c1 1865860882 WWXGOGZGICVZKA-UHFFFAOYSA-N 434.062 5.131 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)NC[C@H](c1ccc(O)cc1)N(C)C 1866029932 PWFUZURWXALXOI-HHHXNRCGSA-N 446.720 7.373 30 10 IKEE CCc1nc2ccc(C)cc2c(C(=O)Nc2ccc(C#N)cc2C(=O)c2cccc(C)c2)c1C 1866270370 BTBOCAKKXDPQBJ-UHFFFAOYSA-N 447.538 6.077 30 10 IKEE C[C@H](CC(=O)N[C@@H](C(=O)Nc1cccc(C#N)c1)c1ccccc1)c1cccc(Cl)c1 1867186073 AORYLWVQRHYENH-MZNJEOGPSA-N 431.923 5.201 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc(F)c2)cn1CCc1ccc(C)cc1 1870614703 ZAMVFQLSPPRVAE-UHFFFAOYSA-N 446.566 5.292 30 10 IKEE C=CCOc1cn(CCc2ccc(C)cc2)c(CNc2ccc(C(F)(F)F)cc2)cc1=O 1870809731 SDOKDKIGWSVGLW-UHFFFAOYSA-N 442.481 5.595 30 10 IKEE C=CCOc1cn(Cc2cccnc2)c(CNc2ccc(-c3ccccc3C)cc2)cc1=O 1870810446 CVAGXFUEOGHHAP-UHFFFAOYSA-N 437.543 5.444 30 10 IKEE C=CCOc1cn(CCCCCC)c(CNc2ccc(Br)c(C)c2)cc1=O 1870813371 IPIAIHYEFYNWKK-UHFFFAOYSA-N 433.390 5.676 30 10 IKEE CCCCCCCCN=c1[nH]c(Nc2ccc(Oc3ccccc3)cc2)ncc1[N+](=O)[O-] 1871302177 FRBYATMBAROWDQ-UHFFFAOYSA-N 435.528 6.115 30 10 IKEE C[C@H]1CCCC[C@H]1N1COc2ccc3c(c2C1)O/C(=C\c1ccc(Cl)cc1Cl)C3=O 1871350476 HVOXMRJCAFSKAJ-CMYOVRLCSA-N 444.358 6.340 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OC(=O)c3ccc(C(F)(F)F)cc3)cc(C)c2C1=O 1871375760 BJEPUAIFUJHIFM-WQRHYEAKSA-N 444.430 6.219 30 10 IKEE Cc1cc(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc2c1C(=O)/C(=C/c1ccccc1)O2 1871383108 DCUFWBVIOWEQHA-JMIUGGIZSA-N 435.819 5.392 30 10 IKEE Cc1cc(OC(=O)CCOc2ccccc2)cc2c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O2 1871384237 TUPAKRJNIOCUNW-XYGWBWBKSA-N 442.511 6.109 30 10 IKEE COC(=O)c1ccc(/C=C2\Oc3c(ccc(OC(=O)/C=C/c4ccccc4)c3C)C2=O)cc1 1871385245 IZVFHICAQBUWOJ-RMDJZQFNSA-N 440.451 5.017 30 10 IKEE COc1ccccc1/C=C1\Oc2c(ccc(OCCCCOc3ccc(C)cc3)c2C)C1=O 1871406201 WEOGIRLIMHHVDV-ITYLOYPMSA-N 444.527 6.166 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871411732 PYLVZCHYKYKSCX-WNKKFZFYSA-N 439.511 5.827 30 10 IKEE CCCC[C@@H](Oc1cc(C)c2c(c1)O/C(=C\c1cn(C)c3ccc(OC)cc13)C2=O)C(=O)O 1871423398 RLJYHLBUGLGNER-WXPVLTPUSA-N 449.503 5.134 30 10 IKEE CCCCCOC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 1871427074 MGEVNKPDNWJEKY-NDENLUEZSA-N 449.330 6.030 30 10 IKEE CCn1cc(/C=C2\Oc3c(ccc(OC[C@@H]4CCCO4)c3C)C2=O)c2cc(OC)ccc21 1871450449 YUNHOOKWWLBPSD-BTMMFNIDSA-N 433.504 5.152 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(OCCC)cc2)[nH]c(N(C)C)n1 1871725757 FGTTXOLPFRSGHH-UHFFFAOYSA-N 428.625 5.445 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1ccccc1 1872302082 ARDAZWZDVLTFIB-NRFANRHFSA-N 434.989 5.023 30 10 IKEE C=CCN([C@@H](CC(C)C)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(C)c(C)c1 1872550874 GJEZNZIYNUOCCW-DEOSSOPVSA-N 442.625 5.150 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccccc3OCC)n2)cc1 1872764959 CKULCUZZZLMQBT-FQEVSTJZSA-N 434.561 5.807 30 10 IKEE N#C[C@H](C(=O)c1ccc(-n2cccc2)cc1)c1nc(-c2ccc(Br)cc2)cs1 1872765234 KHFUNOFOGHEZPT-LJQANCHMSA-N 448.345 5.853 30 10 IKEE COc1ccc(/C=C(/C(=O)[C@H](C#N)c2nc(C(C)(C)C)cs2)c2ccccc2)cc1OC 1872767896 DGQOVSXCINJTDG-ACSPXDACSA-N 446.572 5.875 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(Br)c3)n2)cc1 1872770031 HHJLEOPVSZBXMC-SFHVURJKSA-N 441.350 5.851 30 10 IKEE N#C[C@H](C(=O)CCCCCNC(=O)c1ccccc1)c1nc(-c2ccc(F)cc2)cs1 1872776108 IIYJPQNQQNQQAC-HXUWFJFHSA-N 435.524 5.116 30 10 IKEE N#C[C@H](C(=O)c1ccccc1I)c1nc(-c2ccc(F)cc2)cs1 1872776838 ZEJKXUPITIHPGQ-CQSZACIVSA-N 448.260 5.044 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@@H](C#N)C(=O)c2cccc(OCC(C)C)c2)n1 1872781489 VGWRSMADGHNJLW-NRFANRHFSA-N 434.561 5.960 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@@H](C#N)C(=O)Cc3c[nH]c4ccccc34)n2)c1 1872781721 YIFDNUXZCIOAOT-FQEVSTJZSA-N 445.544 5.508 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)n1 1872784985 BUHXIBIEZYCZBC-LPHOPBHVSA-N 437.609 5.239 30 10 IKEE C=CCN(CC=C)C(=O)c1ccc2nc(SCCCCOc3ccc(C)cc3)[nH]c2c1 1872816272 CHJJDQGWIVAUGZ-UHFFFAOYSA-N 435.593 5.637 30 10 IKEE CCCCCCCCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2 1873441438 RXZXUXCQGYLWOL-UHFFFAOYSA-N 426.651 7.593 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1cc(C)ccc1O 1874224161 VGOXROUGOCHMAR-KOEQRZSOSA-N 436.581 5.026 30 10 IKEE CCCOc1ccccc1/C=N/n1c(COc2ccc(Cl)c(C)c2)nnc1SCC 1874230738 ZJDLCTVMERATPW-ZVHZXABRSA-N 444.988 5.602 30 10 IKEE CCCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1ccccc1Cl 1874247461 FSJTVIDOJZKHNK-LFVJCYFKSA-N 428.989 5.636 30 10 IKEE Fc1ccccc1CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccco1 1874342326 KQLFRKZRDWOEPJ-ZMOGYAJESA-N 426.904 5.429 30 10 IKEE Fc1ccccc1/C=N/n1c(Cc2ccc(Cl)cc2)nnc1SCc1ccccc1 1874342578 XKTHVYOBLNWKLW-CVKSISIWSA-N 436.943 5.836 30 10 IKEE Fc1ccccc1/C=N/n1c(Cc2ccccc2F)nnc1SCCc1ccccc1 1874376139 HEQAGHGGSDQFMO-WPWMEQJKSA-N 434.515 5.364 30 10 IKEE CN(C)c1ccc(/C=N/n2c(Cc3cccs3)nnc2SCCc2ccccc2)cc1 1874413545 ZKSKNWVWDVPCNH-XIEYBQDHSA-N 447.633 5.213 30 10 IKEE Cc1cccc(CSc2nnc(-c3cccs3)n2/N=C/c2ccccc2[N+](=O)[O-])c1 1874422123 VRMYYAAAOQFXIA-LPYMAVHISA-N 435.534 5.398 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3)nnc2C2CCCC2)cc1 1874452505 YXADRGJGKXMVDJ-WGOQTCKBSA-N 447.608 5.672 30 10 IKEE Clc1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2cccnc2)c(Cl)c1 1874457639 ZAHKYNPYYHWTLH-WYMPLXKRSA-N 432.380 5.812 30 10 IKEE C=C(C)CSc1nnc(-c2ccco2)n1/N=C/c1ccc(OCc2ccccc2C)cc1 1874466423 JAIWKXXNDOMYKT-CVKSISIWSA-N 444.560 5.976 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874483168 HXFZPKHVCXMBBQ-BHGWPJFGSA-N 437.371 6.196 30 10 IKEE CC(C)(C)c1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc(C(=O)O)cc1 1874484448 WXZHPJPRIPZDCK-FSJBWODESA-N 428.945 5.102 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(SCc2ccc(F)cc2)nnc1C1CC1 1874517782 KXCMJYCITSBZJK-VULFUBBASA-N 432.524 5.631 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(F)cc2F)c1OCc1ccc(C)cc1 1874576481 PDXSPJDHCZAFTB-JXMROGBWSA-N 428.862 6.410 30 10 IKEE CCCNC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(Cl)c(Cl)c1 1874578793 HHSOYRHFPRVCBX-PKNBQFBNSA-N 442.342 5.948 30 10 IKEE COC(=O)c1ccc(COc2ccc(Cl)cc2/C=C/C(=O)c2cccc3ccccc23)o1 1874583410 LTJGPHROZBLVPQ-FMIVXFBMSA-N 446.886 6.348 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2c(C)cc(C)cc2C)c1OCc1ccc(F)cc1 1874590129 UOTNARMCOCFMSO-JXMROGBWSA-N 438.926 6.888 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1OCc1c(F)cccc1Cl 1874597618 WEOKDJXIYPETFT-VMPITWQZSA-N 440.854 5.692 30 10 IKEE C=C(C)COc1c(Br)cc(/C=C/C(=O)c2ccc(CC)cc2)cc1OCC 1874605091 PNCZGDDWBYCLGA-FMIVXFBMSA-N 429.354 6.261 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(OC)c1OCc1ccccc1C 1874605766 FIXFQMLUUVHBIZ-CCEZHUSRSA-N 428.528 6.216 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1)c1cccc(Br)c1 1874609748 HSHGJRXLPQPUMZ-UXBLZVDNSA-N 445.715 6.717 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1OCCc1ccccc1 1874616144 ZRNMUGZIOVFWGT-XYOKQWHBSA-N 441.354 6.910 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OCC(=O)Nc1ccc(C)cc1C 1874620277 RJWXSGUFVIHIEW-IZZDOVSWSA-N 447.506 5.673 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OCC(=O)Nc1ccc(F)cc1 1874620367 WQBLSLJCVWFLIL-QDEBKDIKSA-N 437.442 5.195 30 10 IKEE C=C(C)COc1c(OC)cc(/C=C/C(=O)c2cc(OC)c(Cl)cc2OC)cc1OC 1874629938 BZHGTKOAFOJBMJ-BQYQJAHWSA-N 432.900 5.225 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(-c4ccccc4)cc3)c2)cc1C 1874695950 ANUBTOWPVQLPLC-GZTJUZNOSA-N 448.518 6.786 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1OC(=O)c1cccc(F)c1 1874702438 QHCDYALCDYLAKI-WEVVVXLNSA-N 445.273 6.256 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(C)c(C)c3)c2)c(OC)c1 1874714490 YOHFKIDGSXRENF-KPKJPENVSA-N 446.499 5.445 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)Cc1ccccc1 1875094372 OPEDTSJXLMYRGI-ACCUITESSA-N 431.444 5.038 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1sccc1C 1875099120 SMJFONHTLYDWKI-YRNVUSSQSA-N 432.541 6.059 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(OC)c(OC)c3)cc2)cc1C 1875107510 UIVYGXPJGXEUCC-KPKJPENVSA-N 446.499 5.065 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC(=O)c1ccco1 1875116286 UKEKAQVPAPRDJD-KPKJPENVSA-N 433.416 5.040 30 10 IKEE Cc1ccccc1CCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1Cl 1875120855 NPHFUIGLUOJSTB-IZZDOVSWSA-N 440.873 6.361 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1Cl 1875135425 PMOZPMSTKRDKJV-YRNVUSSQSA-N 439.766 7.419 30 10 IKEE CSCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1 1875165658 RXZINWWMBMAQBW-WOJGMQOQSA-N 432.541 6.424 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc(OC)c1OC(=O)CC(C)C 1875184219 OHZHNYWEJKMATR-ZRDIBKRKSA-N 438.564 6.157 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3F)c(Cl)c2)cc1C 1875187403 ALNLTEGVLJXBJW-CSKARUKUSA-N 438.882 6.220 30 10 IKEE O=C(Nc1cc(C(F)(F)F)ccc1F)c1ccccc1-c1ccc(C(F)(F)F)cc1 1890640596 ZFNSJPJZQBXWIJ-UHFFFAOYSA-N 427.319 6.783 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1922107871 PIEZTGIQJXOINQ-SGNDLWITSA-N 430.633 5.459 30 10 IKEE CCCCCCC[C@H](O)c1c(Br)sc(Br)c1Br 1924583733 OIBZCDNQUOFQJF-QMMMGPOBSA-N 449.046 6.430 30 10 IKEE CC(C)(C)OC(=O)NCCC1CC(C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 2007655330 CZXVNSUFWVAOJR-UHFFFAOYSA-N 433.524 5.154 30 10 IKEE CC[C@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1C 2014646026 MNXRXYSFQVEGDE-NTKDMRAZSA-N 429.561 5.418 30 10 IKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CN(Cc2ccccc2)C2(CCCCCC2)C1 2038912917 LQICXSHNQLEARU-AMGIVPHBSA-N 439.644 6.283 30 10 IKEE COc1ccc(Oc2ccc(C=CC(=O)c3ccc(OC)cc3OC)cc2[N+](=O)[O-])cc1 2053622081 KUBBNCXFWHQVPJ-UHFFFAOYSA-N 435.432 5.309 30 10 IKEE CCN[C@H](CC#CCOC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071266033 ZZQGOIRXPACUKM-AREMUKBSSA-N 429.560 5.535 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@H](C#N)[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2073119201 QNYVGZDFJAVXFU-AZUAARDMSA-N 449.636 5.874 30 10 IKEE Cc1cc(C(=O)N2CCC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)ccc1NC(=O)OC(C)(C)C 2124515374 JVOYLTMIMDBYOB-GOSISDBHSA-N 444.381 5.040 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(Nc3cc(Br)ccc3C#N)CCCCC[C@@H]12 2162345043 YVRLAFUIEGGHIK-WIYYLYMNSA-N 434.378 5.445 30 10 IKEE C=CCN(CC[C@@H](NCCC)c1c(F)cc(C)cc1Br)C(=O)OC(C)(C)C 2173454369 DKCMRYUVHLYOPV-GOSISDBHSA-N 443.401 5.751 30 10 IKEE Cc1cc(Br)cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)c1 2228980442 BGCAAPZLOFWRDY-GOSISDBHSA-N 435.749 6.417 30 10 IKEE C=C(F)C[C@H](NCCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229120550 PHVIYAYABWWJPO-ZWKOTPCHSA-N 429.374 5.126 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCC)c2cc(C)c(Br)c(C)c2)C1 2235617805 NLTQNFIPHYGZTJ-IBGZPJMESA-N 437.422 5.578 30 10 IKEE C#CCCCC[C@H](NCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237427214 VONOQHNEFUOOOR-PMACEKPBSA-N 437.422 5.057 30 10 IKEE C=C(C)CCCCNc1cc(I)cc(I)c1 2244637654 NRBGPTSTDIYJGH-UHFFFAOYSA-N 441.094 5.054 30 10 IKEE CC1(C)OB(c2cccc(F)c2CN(Cc2ccccc2)CC2CCCCC2)OC1(C)C 2273968762 YQFRHWXRJFDKMK-UHFFFAOYSA-N 437.408 5.707 30 10 IKEE N#Cc1ccccc1-c1ccc(C=C2SC(=S)N(c3cccc4ccccc34)C2=O)o1 2293769078 VBNGACPOONQMPX-UHFFFAOYSA-N 438.533 6.377 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Cl)c1scc(Br)c1Br 2295215721 ABTKKNBUDQMXPG-ZDUSSCGKSA-N 433.596 5.629 30 10 IKEE CC(C)(C)OC(=O)N1CCC(C(C)(C)C(=O)C#Cc2ccc(Br)cc2)CC1 2296222456 RWOIXUPXVOJREI-UHFFFAOYSA-N 434.374 5.043 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)C[C@H](C)N(CC)C(=O)OC(C)(C)C 2296285197 ZJGKRQCOPYTGEI-PXNSSMCTSA-N 437.422 5.204 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)C(C)(C)[C@H](C)NC(=O)OC(C)(C)C 2296291294 MYQVXQXNJDFSBL-QFBILLFUSA-N 437.422 5.108 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(=C(O)c3ccc(F)cc3)C(=O)C(=O)N2c2nccs2)cc1 2297741295 BDMQWHROPODKCK-IBGZPJMESA-N 436.508 5.206 30 10 IKEE CCOC(=O)c1sc(NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3)o2)c(C#N)c1C 2313724607 MQMICQYAOOFZOZ-UHFFFAOYSA-N 440.908 5.670 30 10 IKEE O=C1C(=Cc2ccccc2Cl)SC(=Nc2cccnc2Cl)N1c1ccccc1 2314540739 XEUXPQDDJWWZDM-UHFFFAOYSA-N 426.328 6.197 30 10 IKEE C=CCOc1ccc(C=C2SC(=Nc3cccc(C)n3)N(C3CCCCC3)C2=O)cc1 2314540768 XXSACHBHWLEJAL-UHFFFAOYSA-N 433.577 5.892 30 10 IKEE O=C1C(=Cc2cccc(Br)c2)SC(=Nc2nccs2)N1c1ccccc1 2314541658 ADJAHZCJZYUKRU-UHFFFAOYSA-N 442.363 5.714 30 10 IKEE CC1(C)OB(/C=C/c2ccc(N(Cc3ccccc3)Cc3cccs3)nc2)OC1(C)C 2317315871 GCZUSQYQHKVLDY-CCEZHUSRSA-N 432.398 5.995 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCc4ccccc4C)c3C)C2=O)c(OC)c1OC 2321742661 VVAHEVLEWJOARU-UHFFFAOYSA-N 446.499 5.524 30 10 IKEE Cc1c(OCc2c(F)cccc2Cl)ccc2c1OC(=Cc1ccc(Cl)cc1)C2=O 2321802431 WVBYQTHRWWZCAR-UHFFFAOYSA-N 429.274 6.636 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(Cl)cc1)C3=O)CN(CCc1ccc(F)cc1)CO2 2322286712 NVYYERAXCLTWBH-UHFFFAOYSA-N 449.909 5.798 30 10 IKEE Cc1ccc(C(=O)C=Cc2c(OCC(=O)NCc3ccccc3)ccc3ccccc23)cc1 2322586375 RCBDQIARYKWTKN-UHFFFAOYSA-N 435.523 5.740 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc(OC(=O)c3cc4ccccc4o3)c2C)C1=O 2322842764 FVBXKFLUQUVBPO-UHFFFAOYSA-N 440.451 5.975 30 10 IKEE C=C(C)COc1c(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(Br)cc1OC 2322843462 WGNVLOXIDNGRGP-UHFFFAOYSA-N 443.381 6.542 30 10 IKEE Cc1ccc(COc2ccc3ccccc3c2C=CC(=O)c2cc(Cl)ccc2Cl)cc1 2322999630 FRAKRRASBIBTOF-UHFFFAOYSA-N 447.361 7.930 30 10 IKEE CCc1ccccc1NC(=O)COc1cc(C=CC(=O)c2ccccc2OC)ccc1OC 2323101687 OCJJVIRBAXYJMD-UHFFFAOYSA-N 445.515 5.180 30 10 IKEE Cc1cc(OC(=O)CCc2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1ccc(F)cc1)O2 2323106044 QGDHWHUIXQTKHU-UHFFFAOYSA-N 436.866 5.942 30 10 IKEE Cc1cccc(NC(=O)COc2cccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)c2)c1 2323259673 PEUUUFMIDYYGJL-UHFFFAOYSA-N 427.544 6.142 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)cc([N+](=O)[O-])c1OCc1cccc(C)c1 2323476274 FWEHIPCTBRXUFE-UHFFFAOYSA-N 445.515 6.339 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(OC)c1OCc1cccc(F)c1 2323763203 YYHWXAJRLFDECH-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE Cc1ccc(-c2csc(NN=Cc3cc(Cl)c(OCC(C)C)c(Cl)c3)n2)c(C)c1 2323840059 HEXTZXAUNHZXIN-UHFFFAOYSA-N 448.419 7.215 30 10 IKEE COc1c(Cl)cc(C=NNc2nc(-c3ccc(C)c(C)c3)cs2)c(OC)c1Cl 2323858390 QGOFLAHZOPHOHM-UHFFFAOYSA-N 436.364 6.197 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Cl)c1OCc1ccc(C)cc1 2323858517 GKJLIQQXGPHMPP-UHFFFAOYSA-N 434.963 7.139 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Cl)c1OCC(=O)OCC(C)C 2323975047 RMOKIGZWYSDONG-UHFFFAOYSA-N 448.918 5.660 30 10 IKEE Cc1cc(O)c(CN2CCCC[C@@H]2C)c2c1C(=O)C(=Cc1c(Cl)cccc1Cl)O2 2324010419 ZQWVVYHKIKUCLC-AWEZNQCLSA-N 432.347 5.998 30 10 IKEE Cc1cc(O)c(CN2C[C@@H](C)C[C@@H](C)C2)c2c1C(=O)C(=Cc1cn(C)c3ccccc13)O2 2324055108 AAUSMVDBEWCWNO-CALCHBBNSA-N 430.548 5.286 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OCc1c(F)cccc1Cl 2324194702 MFSQWWKANWJHOK-UHFFFAOYSA-N 428.862 6.492 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(O)c3CN3CCC(N4CCCCC4)CC3)C2=O)cc1 2324210220 ZEPUQDYNEYXWDQ-UHFFFAOYSA-N 446.591 5.021 30 10 IKEE CCc1cccc(CC)c1NC(=O)[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1ccco1)C2=O 2324381326 YQAVIKDAYPSVJL-QGZVFWFLSA-N 445.515 5.735 30 10 IKEE N#C[C@H](C(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2324398654 VQMQCZLYQQUHBF-MRXNPFEDSA-N 444.299 5.915 30 10 IKEE Cc1c(O[C@H](C)C(=O)Nc2ccccc2)ccc2c1OC(=Cc1ccc(N(C)C)cc1)C2=O 2324405919 SBUDWQXYGZBLCV-GOSISDBHSA-N 442.515 5.083 30 10 IKEE CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccccc2)C3=O)c1 2324825816 YANKXPLSBHDKTN-GOSISDBHSA-N 441.483 5.220 30 10 IKEE CCCOc1c(C=Nn2c(CCC)nnc2SCc2cccc(F)c2)cccc1OC 2325549842 UDWVRJSXGYLJLR-UHFFFAOYSA-N 442.560 5.342 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1OC(=O)[C@@H]1CCCO1 2325668913 QUUQLCOPTRVBIY-VWLOTQADSA-N 428.484 5.343 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OC(=O)COCc1ccccc1 2325740169 YAGXWFIADPTYGD-UHFFFAOYSA-N 430.500 5.330 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cc(Cl)ccc3Cl)c2)cc1F 2325748610 HDURUNRHWOPGPS-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE O=C(Cc1cccs1)Oc1cccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)c1 2325754707 OPVDHJILJQHWDX-UHFFFAOYSA-N 440.520 6.585 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cccc(OC(=O)c2sccc2C)c1 2325763419 KAHDTAJAPCIBTO-UHFFFAOYSA-N 426.921 6.142 30 10 IKEE CCCc1nnc(SCc2ccccc2)n1N=Cc1c(OCC)ccc2ccccc12 2326220607 AZUDKGMOHUOPCL-UHFFFAOYSA-N 430.577 5.957 30 10 IKEE CCCCOc1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)cc1OCC 2326342569 ZPSWHYDBPBIURB-UHFFFAOYSA-N 444.988 5.684 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@@H](C#N)[C@]12C[C@H](CCN1C(=O)OC(C)(C)C)C2 2326630232 BNLGRZJGDIQZPR-TVVUZDRGSA-N 445.535 5.249 30 10 IKEE Cc1ccccc1OCCCc1nnc(SCc2ccccc2)n1N=Cc1cccnc1 2327094611 JXABHSYYYIGCRZ-UHFFFAOYSA-N 443.576 5.168 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccncc1 2327927442 YSPYMTXDSZCLHI-UHFFFAOYSA-N 447.995 5.595 30 10 IKEE CCCCC1CCC(c2nnc(SC)n2N=Cc2cc(OC)c(OC)c(OC)c2)CC1 2328103589 ZATBVQPARYZVNM-UHFFFAOYSA-N 446.617 5.372 30 10 IKEE COc1ccc(OCc2nnc(SCc3ccccc3C)n2N=Cc2ccccc2)cc1 2328355587 LVRDWOSZCWFUQF-UHFFFAOYSA-N 444.560 5.349 30 10 IKEE Cc1ccccc1CSc1nnc(COc2c(C)cccc2C)n1N=Cc1ccccn1 2328545846 SRYXONUDGLCWQP-UHFFFAOYSA-N 443.576 5.352 30 10 IKEE Clc1ccccc1CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc[nH]1 2329577129 HVBJKYZQTDHTCY-UHFFFAOYSA-N 428.348 5.755 30 10 IKEE CCc1ccc(C=Nn2c(Cc3ccccc3F)nnc2SCc2cccc(F)c2)cc1 2329722540 LZYHTAKLGBNNAN-UHFFFAOYSA-N 448.542 5.884 30 10 IKEE Fc1cccc(CSc2nnc(C(F)(F)F)n2N=Cc2c(F)cccc2Cl)c1 2331123499 HHOSBNYKUHYHPM-UHFFFAOYSA-N 432.805 5.403 30 10 IKEE O=C(CC12CC3CC(CC(C3)C1)C2)Oc1ccc(C=CC(=O)c2ccccc2)cc1[N+](=O)[O-] 2331170475 ZPRIHYSSHWGUFH-UHFFFAOYSA-N 445.515 6.003 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccc(CC)cc3)cc2)cc1 2331189883 RCJXEICOAIQHHD-UHFFFAOYSA-N 428.528 6.082 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccnc3)c(OCC)c2)cc1 2331307271 AIVSWBUCSIQOLI-UHFFFAOYSA-N 431.488 5.384 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1N=Cc1cccc(C)c1 2331319724 BZSVDYVSFPQJJV-UHFFFAOYSA-N 435.597 5.159 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C(C)(C)C)cc1OC 2331404559 PXDVZWLREPLWAM-UHFFFAOYSA-N 444.988 5.421 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2Cl)c1 2331414455 ICVHHLDEIBWIPS-UHFFFAOYSA-N 448.946 6.761 30 10 IKEE CC(C)Cc1nnc(SCc2ccccc2)n1N=Cc1cc(Br)ccc1F 2331453405 PULCIWMJKYKJQK-UHFFFAOYSA-N 447.377 5.553 30 10 IKEE CC(C)Cc1nnc(SCc2ccccc2F)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2331453759 GOZITDITKFFCBB-UHFFFAOYSA-N 447.923 5.352 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OC(=O)[C@@H](C)c1ccccc1 2331488804 ZTGKPOKLTRQBOE-FQEVSTJZSA-N 436.507 6.454 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OC(=O)[C@H]1CCCO1 2331589831 YOCZBUOWCDSESB-HSZRJFAPSA-N 438.520 5.116 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)ccc1OC(=O)C1CCC1 2331640518 SYYLMCVEAGGHBM-UHFFFAOYSA-N 435.303 5.612 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)Cc1ccc(F)cc1F 2331712820 PZTSYSYDCPESJB-UHFFFAOYSA-N 436.454 5.634 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3cc(C(C)(C)C)ccc3C)cc2)cc1C 2331780414 FRPASJTXKUSLNN-UHFFFAOYSA-N 440.583 6.954 30 10 IKEE CC1(C)OB(c2cc(Cl)cnc2Nc2cccc(Br)c2Cl)OC1(C)C 2339394282 LRNXXQJGJFUZLR-UHFFFAOYSA-N 443.965 5.194 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@H](C#N)c1c(Cl)ccc(Cl)c1Cl 2364580555 SUQNJXWCRVCIFP-OAHLLOKOSA-N 446.161 7.307 30 10 IKEE CC1(C)OB(C=Cc2ccc(NC3C[C@@H]4CC[C@H](C3)N4Cc3ccccc3)nc2)OC1(C)C 2365051581 DNVUSUWNBHHABK-CWAQXLGLSA-N 445.416 5.334 30 10 IKEE CO[C@@H](C#C[C@H](N)c1cc(NC(=O)OC(C)(C)C)ccc1Br)C1CCCC1 2369568036 KUXFEZMIASDQMP-OALUTQOASA-N 437.378 5.005 30 10 IKEE CCOc1ccc(/C=N/c2cccc(C3=NN(c4ccccc4)[C@@H](c4ccccc4)C3)c2)cc1 15773891 GMFZNILUKBVXDZ-ZBISPMLPSA-N 445.566 7.192 30 10 IKEE O=C(CSc1n[nH]c(NN=C2CCCCC2)n1)N(C1CCCCC1)C1CCCCC1 20836432 DWWDWBQQORXIEW-UHFFFAOYSA-N 432.638 5.123 30 10 IKEE CCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(CC)cc2)C3)cc1OCC 21222952 QMCSRVVJJCPASK-LEWJYISDSA-N 433.548 5.051 30 10 IKEE Cc1cccc(N/C(=N\C(=O)c2ccccc2)N2CCN(c3cccc(Cl)c3)CC2)c1 32946339 UMIZDNGQXPITIV-UHFFFAOYSA-N 432.955 5.079 30 10 IKEE O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)Oc2cc(OCc3c(Cl)cccc3Cl)ccc21 33369226 CSFWKWIIZSTCCC-FBHDLOMBSA-N 442.254 6.097 30 10 IKEE CCOc1ccc(NC(=O)C2CCN(c3c(C#N)cnc4ccc(Cl)cc34)CC2)cc1 64473811 IJKWRCXHQRJKCV-UHFFFAOYSA-N 434.927 5.014 30 10 IKEE COC(=O)c1ccc(COc2ccccc2/C=C\C(=O)c2ccc(Cl)cc2Cl)cc1 97993044 GGDNSPPZWFAFMK-RAXLEYEMSA-N 441.310 6.255 30 10 IKEE C/C=C\Oc1ccc(C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)c2nc3ccccc3o2)cc1 98037222 RSYYMMUXQNEIOU-MFPNIVPTSA-N 437.539 7.461 30 10 IKEE C[C@H](/N=C1\S/C(=C2/Sc3ccccc3N2C)C(=O)N1C1CCCCC1)c1ccccc1 102148104 IBIGNXGUBHLRGR-YPHMNDGYSA-N 449.645 6.423 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C/c1c(F)cccc1Cl)C2=O)c1ccc(Cl)cc1 103017529 XXZZEPXXENDOQO-RGVLZGJSSA-N 429.230 5.968 30 10 IKEE Cc1nnc(SCc2ccc(Br)cc2)n1/N=C\c1ccc(C(C)C)cc1 135884510 STSOMRDSOFHOLR-UUYOSTAYSA-N 429.387 5.647 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1OCC 169886888 CGXZSCNXGOJETE-LKUDQCMESA-N 446.613 5.527 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(OC)cc2)cc1 169925421 QDGOLQNMYBMNFL-XMMPIXPASA-N 443.499 5.185 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)cc(C)c2)c1 169930090 FFYTYPISYVEYCX-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE CCOc1c(Cl)cc(/C=N\Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1Cl 169940005 NNAOKHLELLSNNH-RMORIDSASA-N 449.363 5.920 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCC)cc1 169976154 DYGSYYWKQZGEII-QHCPKHFHSA-N 437.536 5.253 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2C)[C@H]1c1cccs1 169984102 BNWMKIQTCNCNAO-FQEVSTJZSA-N 439.920 5.501 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2c[nH]c3ccccc23)cc1C 170078432 KKENFWMDLLRJIV-XMMPIXPASA-N 444.531 5.396 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2ccccc2C)c1 170086105 QLYXXJYOMUKIHD-XMMPIXPASA-N 443.499 5.185 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)c(Cl)c3)[C@@H]2c2ccco2)cc1 170092141 GZGZENGSFZGRPV-OAQYLSRUSA-N 437.879 5.287 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(OC)c(OC)c1 170126433 ROAKATCJMKDHDE-XMMPIXPASA-N 445.515 5.235 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccs2)c1 170155844 RNVLZRHEVJTCEV-LJQANCHMSA-N 443.883 5.332 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccncc1)c1cc2ccccc2o1 170204084 ISPYSKPFTUTSPL-NRFANRHFSA-N 430.847 5.264 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3cc(C)c(OC)cc3C)=C(O)C(=O)N2CCC)cc1 170215860 HQKGZYOIVMWSIX-HSZRJFAPSA-N 437.536 5.089 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1cccc(OCC(C)C)c1 170218907 YPEJPWYICGPWRB-HSZRJFAPSA-N 432.520 5.191 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2)cc1C 170227248 ULTXZJLWXIZQHR-DEOSSOPVSA-N 427.500 5.485 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccc2)c1 170234186 RUDHCYKFAJTREN-QHCPKHFHSA-N 431.463 5.003 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@H]1c1ccc(Cl)cc1 170236034 RWYHEKBJMMXQTF-LJQANCHMSA-N 434.319 5.380 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1ccccc1F 170249624 JAPLLAYCCVSLAV-HSZRJFAPSA-N 445.490 5.542 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccccc1C 170276833 QLAYWJLAUOTTLL-DEOSSOPVSA-N 435.564 5.717 30 10 IKEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccc1C 170277831 XPIHAEQJJHIPGP-RUZDIDTESA-N 442.559 5.068 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccco2)cc1C(C)C 170282302 HNNQPLFKRUIZJI-JOCHJYFZSA-N 435.451 5.334 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccco2)c1 170285526 ZSDKRMRZWPCLNF-HSZRJFAPSA-N 431.488 5.468 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2cccc(C)c2C)o1 170302293 WLYKHZOHXKDPFK-QHCPKHFHSA-N 426.472 5.469 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1Cc1ccco1 170316287 MDPGJQWAFGKCOM-OAQYLSRUSA-N 433.529 5.307 30 10 IKEE C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2CCC)c1 170324455 ANZASHWACXNQQP-XMMPIXPASA-N 449.547 5.335 30 10 IKEE C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2CCC)c1 170324456 ANZASHWACXNQQP-DEOSSOPVSA-N 449.547 5.335 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1)c1ccco1 170377526 SPEZGUNBQVRGGS-GOSISDBHSA-N 431.341 5.220 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 170415186 RNHAFJOZZKYYLK-JOCHJYFZSA-N 433.479 5.495 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 170470875 AWWPQIUCALCQIH-JOCHJYFZSA-N 435.564 5.504 30 10 IKEE Cc1cccc(N=C2S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2cccc(C)c2)c1 254398855 MNLZCVCLBDWVQU-VUQCETKJSA-N 443.597 6.482 30 10 IKEE CC(C)c1ccc(C=NNc2nc(-c3ccccc3)c(NC(=O)c3cccs3)s2)cc1 254582711 DSEOJZABDZMXKF-UHFFFAOYSA-N 446.601 6.693 30 10 IKEE COc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)C2=Nc1ccc(Oc2ccccc2)cc1 254758802 HUYXGJWAGCRFOS-KRWDZBQOSA-N 426.516 6.241 30 10 IKEE N#Cc1ccc(N2C(=O)C(Nc3ccccc3Cl)=C(Sc3ccccc3)C2=O)cc1 526660482 GMGVAZOZGDAUAK-UHFFFAOYSA-N 431.904 5.201 30 10 IKEE CC(C)Oc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 526773384 RBEROHWXHHQGCF-HSZRJFAPSA-N 447.918 5.910 30 10 IKEE CCOc1cccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccccc2)c1O 526799672 IPDKALJEJOZUEY-ONUIUJJFSA-N 444.560 5.148 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1cc(Cl)c(O)c(OC)c1 526811303 HEGKQIXTNJGWCZ-MSXFZWOLSA-N 444.988 5.390 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1cccc(OC(C)C)c1 526811449 LGKSOIVEVJCNEO-OYKKKHCWSA-N 428.989 5.846 30 10 IKEE Oc1cccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccccc2Cl)c1 526816611 FPVPWMHSKQISBM-QQXSKIMKSA-N 448.979 5.597 30 10 IKEE Cc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccccc1C(F)(F)F 526817159 IWDGQPMCEZJOJG-OPVMPGTRSA-N 428.842 5.572 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccc(OCC)cc1 526821685 FNBUOISEBNCUSH-IMRQLAEWSA-N 444.604 6.347 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)CC3CCCCC3)C2)c1 586007248 VHIURHHOHHVEQJ-HSZRJFAPSA-N 425.617 5.215 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@](C)(C#N)c1cc(Br)ccc1F 698916077 NMTDNFZDQICCBG-HXUWFJFHSA-N 437.284 5.908 30 10 IKEE CC(C)(C)OC(=O)N1CCC(C=O)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 725421294 SWJBRMMPVVQGNK-UHFFFAOYSA-N 425.369 5.192 30 10 IKEE CCCCCCCCC[C@H](CN)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 829343248 ZYJKMPBATUVRMZ-HXUWFJFHSA-N 441.454 6.659 30 10 IKEE O=[N+]([O-])c1cccc(C=Nc2ccc3nc(SCc4c[nH]c5ccccc45)sc3c2)c1 1083887284 AAPXKENXIHPUOF-UHFFFAOYSA-N 444.541 6.729 30 10 IKEE Cc1c(N=Nc2c(Cl)cccc2Cl)c(O)n([C@H](C)c2ccccc2)c(=O)c1C#N 1772741091 UFGLNJWPFWHDJV-CYBMUJFWSA-N 427.291 6.066 30 10 IKEE Cc1cc(C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c2cccc(C)c2n1 1859650293 MOGZNTGKAQHDAY-UHFFFAOYSA-N 443.506 6.903 30 10 IKEE Cc1ccc(/C=C/C(=O)N2CCC[C@H](C(=O)Nc3scc(C(C)(C)C)c3C#N)C2)cc1 1860655987 GVMDSXBLGICACZ-CVTTXWKISA-N 435.593 5.116 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](C)NC(=O)CCc1ccc(Br)cc1 1861103725 QBWWOMBBOAYOFK-SFHVURJKSA-N 439.438 5.143 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] 1861128583 UVLDEUYJQOSUMZ-APOCOGJHSA-N 431.577 5.150 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccccc1F)c1ccc(Cl)cc1Cl 1862383038 RSYNMIOKMKKHMX-FQEVSTJZSA-N 448.321 6.044 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2F)cc1 1862390777 LXDNVIRJNKRXNH-XMMPIXPASA-N 435.539 6.079 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@@H]2c2ccc(Br)cc2)cc1 1862399913 QVVCMMNKTSOZIE-HXUWFJFHSA-N 442.353 5.390 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccc(F)cc2)cc1C 1862402483 ZRIUTWGNGJYBEJ-XMMPIXPASA-N 449.522 5.612 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)c1 1862411999 UBTXYRUVYHXJPB-ZAOYMGCJSA-N 425.475 5.430 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862414295 WTBDXVMEJIDESE-QHCPKHFHSA-N 449.453 5.060 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1Cl 1862431489 IGNIRTVPIVMELL-HXUWFJFHSA-N 439.298 5.167 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)cc1 1862431915 RHKSDRIZABVHNO-RBQRDFNRSA-N 439.939 5.506 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccccc1Cl)c1ccccc1Cl 1862432618 IYTQHBFZXHNYHI-FQEVSTJZSA-N 439.298 5.167 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2cccc(F)c2)c1 1862444832 ILNPBHFVAJJRTP-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2c(F)cccc2Cl)cc1 1862480615 KSQLLMRFJZUHIX-WAIKUNEKSA-N 449.909 6.127 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccccc2F)cc1 1862489805 HLUZOSHDKISQEL-XMMPIXPASA-N 445.490 5.230 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccccc1F 1862501832 LMPJXLPPTKUQSD-HSZRJFAPSA-N 441.518 6.212 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862535463 ZVNGXWQIRFXDCP-YRSQORNKSA-N 442.559 5.887 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1c(F)cccc1Cl 1862585314 TXHDBBIXWWTAHB-INIZCTEOSA-N 428.674 5.384 30 10 IKEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2ccc(C)cc2)cc1 1862589394 KOSYLIMGSAHDGK-BXKMTCNYSA-N 443.499 5.049 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 1862620302 PHNJFEPYJFVPAT-HSZRJFAPSA-N 431.576 6.022 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(F)cc1 1862649681 DEYYSMHGYLEGMD-XMMPIXPASA-N 431.507 6.138 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(C(=O)OC)cc1 1862652865 OAXMGFAQKKVCGU-MWTRTKDXSA-N 443.499 5.003 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cc(Cl)cc(Cl)c1 1862657144 ACCRJQNWQVQDAP-FQEVSTJZSA-N 426.299 5.745 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2cccc(OC)c2)cc1 1862688077 RRDKLQAOBBWUSO-XDHUDOTRSA-N 443.499 5.043 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2Cl)c1 1862700101 AZQGYUOUGVXKOU-OAQYLSRUSA-N 425.912 5.260 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccc(O)cc1)c1ccc2ccccc2c1 1862713571 RBACUKPPJJNKHW-VWLOTQADSA-N 441.527 5.847 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCCCCCCC)cc2)[C@H]1c1cccc(C)c1 1862733302 QGVZSDXJBMKNMP-RUZDIDTESA-N 447.575 6.109 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2Sc2ccccc2)=C(c2ccc(F)cc2F)C1=O 1863313571 PGLUENXDBUUIAN-UHFFFAOYSA-N 448.494 5.494 30 10 IKEE CCCCCCCCNC1=C(c2cc(C)ccc2C)C(=O)N(Cc2ccc(C)cc2)C1=O 1863734715 RJEFFERHLVUVSZ-UHFFFAOYSA-N 432.608 5.842 30 10 IKEE CC[C@H](NC(=O)[C@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1ccccc1C#N 1866991158 LLVWSUAKNSDBHZ-ICSRJNTNSA-N 432.351 5.138 30 10 IKEE C=CCN(CC=C)C(=O)C(C)(C)NC(=O)COc1ccc(-c2ccc(C(C)(C)C)cc2)cc1 1868895728 AVLLVDHLVWNNEN-UHFFFAOYSA-N 448.607 5.125 30 10 IKEE Cc1cc(C)c(Cn2nnc(C#N)c2NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)c(C)c1 1870106374 JUVMOZNENLTZPC-FNORWQNLSA-N 440.334 5.082 30 10 IKEE CCCCCCCCCCN1COc2ccc3c(c2C1)O/C(=C\c1cccs1)C3=O 1871349518 VHNFHFRHAWIEPE-KQWNVCNZSA-N 425.594 6.657 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN([C@H]1CCCC[C@@H]1C)C3 1871350992 FBBMPWPZZHSXIJ-LWUAEYDSSA-N 433.548 5.741 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(Cl)cc1Cl)C3=O)CN(CCC(C)C)CO2 1871359547 PTUQZUFOHGITAS-UKWGHVSLSA-N 432.347 6.116 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OC(=O)/C=C/c4ccc(OC)cc4)c3C)C2=O)cc1 1871376630 AGOJPQSVYCMKPJ-FQIHTKLKSA-N 440.495 5.801 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)COc4ccc(Cl)cc4)cc(C)c3C2=O)cc1 1871381482 XDHGVZWEIMRYOI-UUYOSTAYSA-N 434.875 5.557 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc(OC(C)C)cc3)ccc2C1=O 1871387845 CGFYPYSWPOZCOT-MYYYXRDXSA-N 444.483 5.708 30 10 IKEE C[C@H]1C[C@@H](C)CN(Cc2c(O)ccc3c2O/C(=C\c2cccc(Br)c2)C3=O)C1 1871396756 UTYMRLOQCFREDN-SQXLMCOJSA-N 442.353 5.249 30 10 IKEE Cc1ccccc1OCCCCOc1cc(C)c2c(c1)O/C(=C\c1cccc(F)c1)C2=O 1871404169 FTUMGNZQZCNGCD-XYGWBWBKSA-N 432.491 6.297 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2sccc2C)C3=O)cc1 1871410575 DYBXDXUJLZXYJI-CPEHUTGBSA-N 447.556 5.950 30 10 IKEE COc1ccc2c(c1)c(/C=C1\Oc3cc(OCC(=O)C(C)(C)C)cc(C)c3C1=O)cn2C 1871419120 FWJBQWILIFSKBP-YVNNLAQVSA-N 433.504 5.106 30 10 IKEE COc1ccc(OC)c(-c2csc([C@H](C#N)C(=O)Cc3cc(Cl)ccc3Cl)n2)c1 1872771628 YCYOLOZMXABKOB-MRXNPFEDSA-N 447.343 5.553 30 10 IKEE CCCCc1ccc(N2C[C@H](C(=O)[C@@H](C#N)c3nc(-c4cccs4)cs3)CC2=O)cc1 1872773994 DOPQNGPCWMFELY-IEBWSBKVSA-N 449.601 5.444 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccccc3C(C)C)n2)c1C 1872778186 FYWJROXXILMKKF-IRLDBZIGSA-N 446.616 6.811 30 10 IKEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)Nc3cccc4ccccc34)cc2[nH]1 1872809551 SXGAHGIFKBCPIN-UHFFFAOYSA-N 449.510 6.112 30 10 IKEE C=CCc1ccccc1OCc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 1872870809 SOCNISJXDUSOJR-UHFFFAOYSA-N 430.523 5.096 30 10 IKEE CCCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1cn(C)c2ccccc12 1874247503 HYZRPVYNBLDHEM-YZSQISJMSA-N 447.608 5.474 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1c(F)cccc1Cl 1874320429 QNGHNEZVAZOVJU-OPEKNORGSA-N 444.963 5.817 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccc(Cl)cc3)n2/N=C/c2ccco2)c1 1874343051 WDCILNYUYJDUKO-AFUMVMLFSA-N 436.968 5.907 30 10 IKEE CCSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1cc(Br)ccc1F 1874357976 JCBFPSHBYZRCKK-FSJBWODESA-N 447.377 5.382 30 10 IKEE CCCSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1cc(Br)ccc1O 1874399449 PSBHFTNRHGTOPP-KOUDTOEKSA-N 445.386 5.282 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3)n2/N=C/c2ccccc2F)c1 1874416875 MOZKSESXHQYHLL-JVWAILMASA-N 430.552 5.799 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2cccs2)c1 1874425732 XOZHDSPTYJXZRP-ZVHZXABRSA-N 447.589 5.236 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(C2CCCC2)n1/N=C/c1ccccc1C 1874452188 IFDYOFKPBMPJMN-WGOQTCKBSA-N 447.608 5.420 30 10 IKEE FC(F)(F)c1nnc(SCc2ccccc2Cl)n1/N=C/c1cccc(Cl)c1 1874461613 WOUSJGAGWOEJCF-NUGSKGIGSA-N 431.270 5.778 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2ccccc2Cl)cc1 1874493730 BLBYCBYXPCIZQW-ZMOGYAJESA-N 439.972 5.120 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2ccc(C(C)(C)C)cc2)c1 1874516001 AUFQGYZXORFMEF-CVKSISIWSA-N 447.608 5.374 30 10 IKEE Clc1cccc(CSc2nnc(C3CC3)n2/N=C/c2c(Cl)cccc2Cl)c1 1874523042 CYPCQGZIGUECRI-AUEPDCJTSA-N 437.783 6.290 30 10 IKEE Cc1ccccc1NC(=O)COc1ccccc1/C=C/C(=O)c1ccc(-c2ccccc2)cc1 1874570780 IOPZGILUAQOOIK-FMQUCBEESA-N 447.534 6.576 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCC(=O)Nc2ccccc2)cc1 1874573175 ZPNIITJATUWJIB-BUHFOSPRSA-N 449.934 5.825 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 1874581650 YXXRMGBXRUFQLI-PKNBQFBNSA-N 427.327 6.786 30 10 IKEE CCCOc1c(Br)cc(Br)cc1/C=C/C(=O)c1ccc(F)cc1 1874584122 XOUQSCDCVPEJQF-VMPITWQZSA-N 442.122 6.036 30 10 IKEE O=C(/C=C/c1cc(Br)ccc1OCCCO)c1cc(Cl)ccc1Cl 1874591505 OKSFZAMGKDQAOJ-QHHAFSJGSA-N 430.125 5.413 30 10 IKEE O=C(COc1cccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1)Nc1ccccc1 1874593500 MLKUEHLFBAAEAW-FMIVXFBMSA-N 426.299 5.907 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OCC(=O)Nc1c(C)cccc1C 1874596615 UCZSXKCVKJPSGK-JLHYYAGUSA-N 443.543 5.842 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(F)c3)c([N+](=O)[O-])c2)cc1 1874607307 HLWWCKUGGUDQTI-GXDHUFHOSA-N 433.479 6.552 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc2ccccc12 1874610341 NMICOCXPQRONIF-OQLLNIDSSA-N 439.467 6.232 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1F 1874614200 KJNUIJZEPHKOSU-VAWYXSNFSA-N 439.870 5.401 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c([N+](=O)[O-])c2)c1 1874618036 HABBBIKKBZKZGN-VZUCSPMQSA-N 448.450 5.264 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OCc1cccc(F)c1 1874625148 OCTXKIGEASXRKG-IZZDOVSWSA-N 428.862 6.492 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)c1C 1874629119 MXWIUGGPYGHUKA-HRNYAPDYSA-N 441.571 6.073 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OCc1ccc(F)cc1 1874630656 NDGIXRNIIFWMSL-XYOKQWHBSA-N 434.507 6.325 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(OC)c1OCc1ccc(C)cc1 1874633951 DAMGQGRFIUTNRX-VAWYXSNFSA-N 430.544 6.413 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)c1)c1ccc([N+](=O)[O-])cc1 1874697823 BTSJDZIDFJVEDI-XJWULPMGSA-N 447.874 5.853 30 10 IKEE CCCc1ccc(OCC(=O)Oc2cc(/C=C/C(=O)c3ccc(C)cc3)ccc2OC)cc1 1874702859 NKINDQLMSILOSS-MHWRWJLKSA-N 444.527 5.837 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1cccc(/C=C/C(=O)c2cc(C)ccc2OC)c1 1874704718 YBVGXSZNAIOXPQ-BUHFOSPRSA-N 446.499 5.283 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(-n3cccc3)cc2)cc1)c1ccc2ccccc2c1 1875094819 JYFAYBJZMMFWCA-GIJQJNRQSA-N 443.502 6.746 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)COC)c(OCC)c2)cc1 1875106624 XOPKDBXBELSSSB-JLHYYAGUSA-N 430.928 5.529 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)c1ccncc1 1875140105 PWNNSPWGUQQLCO-MDZDMXLPSA-N 427.500 5.551 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)Cc1ccccc1[N+](=O)[O-] 1875142915 ZMZJWKCPYWQGCF-YRNVUSSQSA-N 449.434 5.095 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)C(F)(F)F 1875163954 LTEXAHYSEYLTHN-VMPITWQZSA-N 426.337 5.066 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Oc4ccccc4)cc3)cc2)c1 1875165741 WYPYTUFECANJCU-LICLKQGHSA-N 448.518 7.211 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2OC)CC1 1875178881 HFZQBNUEHDNERR-LFIBNONCSA-N 448.603 7.110 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1Cl)c1cccs1 1875189448 QHNGWSPRUDLGNQ-XVNBXDOJSA-N 437.731 6.824 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@](C#N)(C1CCC1)C(F)(F)F 1892901461 VZQHJSQJJKTQHR-KRWDZBQOSA-N 433.268 5.815 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1CN(C(=O)OC(C)(C)C)CCC12CCC2 1922087497 ZAYQBLPHZOEXGP-DNQXCXABSA-N 442.644 5.555 30 10 IKEE C[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)CCN1Cc1ccccc1 1949368016 WRVZDNMEBHJGTQ-DFBJGRDBSA-N 439.987 6.028 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1(C)C 2013405070 GDXDAWJKVWYNBF-GAJHUEQPSA-N 433.524 5.153 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C12CCC2 2015371889 HFDGEOGTLRINAZ-QHCPKHFHSA-N 431.508 5.003 30 10 IKEE CCCCC#CC[C@@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 2024369619 HUTVDEOMIQVZAE-ZEQRLZLVSA-N 430.633 5.439 30 10 IKEE Cc1cc(Br)c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)s1 2029268025 PGFSSTZYYLHCIC-OAHLLOKOSA-N 441.778 6.479 30 10 IKEE C=CCOc1ccc(-c2nc(O)c3c4c(sc3n2)C[C@@H](C(C)(C)C)CC4)cc1OCC 2060411029 XSWHCLAWCNGJFA-INIZCTEOSA-N 438.593 6.178 30 10 IKEE C=CCC[C@H](C)C(=O)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071349802 SHMMLFFYBOOVKK-RBTNQOKQSA-N 430.544 6.049 30 10 IKEE C=CCCCC[C@H](N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071357762 RKVHFBQVRPTXQG-LSYYVWMOSA-N 431.576 5.952 30 10 IKEE CC(C)c1nn([C@H](c2ccc(C3CC3)cc2)C2CC2)c(I)c1C#N 2079014598 FLIFAFPIFYSVRP-LJQANCHMSA-N 431.321 5.360 30 10 IKEE CC[C@@H](c1ccc(OC(C)C)cc1)n1nc(C(F)F)c(C#N)c1I 2080073264 GKKQIROJSFIDHA-AWEZNQCLSA-N 445.251 5.084 30 10 IKEE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@H](C#N)c1ccc(Cl)c(Br)c1F 2097606925 HPNSSPOXCRSWAB-SMDDNHRTSA-N 447.732 5.222 30 10 IKEE C=CCN(CC[C@@H](NCC)c1c(F)ccc(F)c1Br)C(=O)OC(C)(C)C 2099295442 RISILBMUMCLXFH-OAHLLOKOSA-N 433.337 5.191 30 10 IKEE CC[C@@H]1CC[C@@H](Nc2cc(Br)c(C#N)cc2F)CN1C(=O)OC(C)(C)C 2105984120 VGUBIFIWZCPXSM-ZIAGYGMSSA-N 426.330 5.050 30 10 IKEE N#Cc1cc(F)cc(NCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)c1 2134720916 BYAPSNDNRZRBRT-UHFFFAOYSA-N 438.502 6.467 30 10 IKEE CC(C)(C)OC(=O)N(CCNc1ccc(Br)cc1C#N)C1CCCCCC1 2162420469 VQWYXRHDQYJRPC-UHFFFAOYSA-N 436.394 5.693 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2cc(Br)ccc2C#N)cc1F 2181136486 VTQIEIUBAXFYKB-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE CCCCCCCC[C@](C)(CO)N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 2212637554 DLYMOSOCKWFMOD-GDLZYMKVSA-N 449.635 6.902 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@H](C)CN(C(=O)OC(C)(C)C)[C@H]2C)c1 2220389256 DMVXTSKKLMSVQF-MHPIHPPYSA-N 443.588 5.664 30 10 IKEE C=CCCCCCCC(=O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237432027 PXLZXYLMOIVMDQ-IBGZPJMESA-N 438.406 5.981 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)C1(C(F)F)CCN(C(=O)OC(C)(C)C)CC1 2251542394 JMKXWCIYPMCTNN-FQEVSTJZSA-N 438.559 5.020 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCC2)C[C@H]1C(F)(F)F 2252637458 FFDVQSVGCCCYIO-YWZLYKJASA-N 447.498 5.000 30 10 IKEE CC1(NC(=O)OCc2ccccc2)CCC(Nc2ccc(C#N)cc2Br)CC1 2258955288 WSTPMWDWCSMHQJ-UHFFFAOYSA-N 442.357 5.360 30 10 IKEE C=C(C)CCCC[C@H](O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2271835032 NFKQWTYZCFAGLH-MOPGFXCFSA-N 426.395 5.382 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1c(F)cccc1Br)NCCC 2289742211 ZGUUCAHLKDWZJZ-OALUTQOASA-N 443.401 5.358 30 10 IKEE CCC[C@@H](CCNC(=O)OC(C)(C)C)CC[C@@H](O)C#Cc1cccc(Br)c1 2296227121 MCCFPFQNPZYGEG-YLJYHZDGSA-N 438.406 5.273 30 10 IKEE O=C(C=C1NCCc2cc3c(cc21)OCCCO3)CCCOc1ccc(Cl)cc1Cl 2296301192 IARRSMQUTGESDU-UHFFFAOYSA-N 448.346 5.070 30 10 IKEE O=C1C(=O)N(Cc2ccccc2)[C@H](c2ccc(Br)cc2)C1=C(O)c1ccccc1 2297057123 MTYHCNYORSVLJB-OAQYLSRUSA-N 448.316 5.071 30 10 IKEE COc1ccccc1C=CC(=O)c1ccc(NC(=O)c2ccccc2Br)cc1 2297335233 GRIDUHLZOPMRPW-UHFFFAOYSA-N 436.305 5.606 30 10 IKEE CCCN(CCC)C[C@H](O)Cn1cc(C=CC(=O)c2ccc(OC)cc2)c2ccccc21 2297359262 FEHQBUXEGJMXLC-QHCPKHFHSA-N 434.580 5.029 30 10 IKEE Cc1ccc(N=C2NC(=O)SC2=Cc2ccc(-c3c(Cl)cccc3Cl)o2)cc1 2314482350 IPARMFMPNDLNCG-UHFFFAOYSA-N 429.328 7.089 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(Br)cc2)SC1=Nc1cccnc1Cl 2314540180 KQLUVROGOHVIET-UHFFFAOYSA-N 434.746 5.288 30 10 IKEE COc1cc(C=Nn2c(S)nnc2C2CC2)ccc1OCc1ccc(Cl)c(Cl)c1 2321884471 LDQDBHNAMCMAJE-UHFFFAOYSA-N 449.363 5.221 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1cccc([N+](=O)[O-])c1)C3=O)CN(C1CCCCCC1)CO2 2322359589 NPOUAEGWEWXKPS-UHFFFAOYSA-N 434.492 5.394 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCCc2ccccc2)cc1 2322391839 UTTMSQFHBSKZGZ-UHFFFAOYSA-N 448.990 7.209 30 10 IKEE Cc1ccc(C)c(CN2COc3c(cc4c(c3C)OC(=Cc3cccc(F)c3)C4=O)C2)c1 2322413046 UWCOWVWJENAXAW-UHFFFAOYSA-N 429.491 5.719 30 10 IKEE COc1ccccc1C(=O)C=Cc1c(OCc2ccccc2Cl)ccc2ccccc12 2322479006 WCUWXLGHRFMZKL-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccccc4OC)c3C)C2=O)cc1 2322698345 CNCYHCNLXBHKPT-UHFFFAOYSA-N 430.456 5.238 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OC(=O)Cc4cccs4)cc(C)c3C2=O)cc1 2322872582 JQLXOYWTCNJXNG-UHFFFAOYSA-N 447.556 5.667 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cc(Cl)ccc1OCc1ccccc1F 2323022560 HWWQCNXHKPSNJC-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE CCCN(CCC)C(=O)COc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OC 2323047448 PJLBKUHDMFSVBT-UHFFFAOYSA-N 445.559 5.772 30 10 IKEE Cc1ccc(CCC(=O)Oc2ccc3c(c2C)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)cc1 2323086064 PUWYMZJOBYYNSS-UHFFFAOYSA-N 443.455 5.366 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1cccc(Cl)c1)C2=O)c1ccc(Cl)c(Cl)c1 2323259116 IBYOXSKPFKXQEL-UHFFFAOYSA-N 445.685 6.482 30 10 IKEE CC(C)COC(=O)COc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1[N+](=O)[O-] 2323399866 GPPGOIWPADIUMZ-UHFFFAOYSA-N 433.460 5.222 30 10 IKEE C=C(C)COc1c(Br)cc(C=CC(=O)c2ccc(CC)cc2)cc1OCC 2323481655 PNCZGDDWBYCLGA-UHFFFAOYSA-N 429.354 6.261 30 10 IKEE Cc1c(OC(=O)C=Cc2cccs2)ccc2c1OC(=Cc1ccc(N(C)C)cc1)C2=O 2323530461 LMOCCRLSZQYTJK-UHFFFAOYSA-N 431.513 5.358 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OC(=O)CCc4ccccc4)c3C)C2=O)c1OC 2323721211 XBJCXSGEVBYMHF-UHFFFAOYSA-N 444.483 5.167 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1 2323829576 HAZMUUFGKMKBTN-FQEVSTJZSA-N 429.516 5.238 30 10 IKEE CCc1nc(NN=Cc2cccc(OCc3ccc(Cl)cc3)c2)sc1C(=O)OC 2323865593 WXWMYJGDLNZYLP-UHFFFAOYSA-N 429.929 5.171 30 10 IKEE COc1cc(C=NNc2nc(C)c(C)s2)cc([N+](=O)[O-])c1OCc1cccc(C)c1 2323872573 HGUPDSUQIJHXIP-UHFFFAOYSA-N 426.498 5.010 30 10 IKEE CCCCCOc1ccc(C=NNc2nc(-c3ccccc3OC)cs2)cc1OC 2323874577 ZFMVXYPEIHJJTB-UHFFFAOYSA-N 425.554 5.842 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2Cl)Oc2c1ccc(O)c2CN1CCCC[C@@H]1CCO 2324140492 ZIUNSPDLCVRGKR-MRXNPFEDSA-N 448.346 5.052 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccc(OCc2cc(C)ccc2C)cc1 2324319244 BQQAOYQAYAWRGZ-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE Cc1cccc(OCCCOc2ccc3c(c2C)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)c1 2324567764 YFHMYTBJJYCCMS-UHFFFAOYSA-N 445.471 5.676 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCCCOc4cccc(C)c4)cc(C)c3C2=O)cc1 2324567828 OKVWKZQOFQWIRF-UHFFFAOYSA-N 428.528 6.330 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc(Cl)c1OCC 2324599011 CPBXODUOZTUFKW-UHFFFAOYSA-N 429.727 6.349 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(C(=O)O)cc1 2325525850 AQNUJHHOYZWOLF-UHFFFAOYSA-N 428.945 5.147 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1N=Cc1cn(C)c2ccccc12 2325603919 SBPLMTSYTZMUHN-UHFFFAOYSA-N 425.561 5.660 30 10 IKEE CCCCOc1ccc(C=Nn2c(C)nnc2SCc2cccc(F)c2)cc1OCC 2325623068 JVGJYWAMXLHRMS-UHFFFAOYSA-N 442.560 5.478 30 10 IKEE CCOc1ccc(C=Nn2cnnc2SCc2ccc(Cl)c(Cl)c2)cc1OC 2325668919 RWPBVBRTYVZANF-UHFFFAOYSA-N 437.352 5.167 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)CSc3ccccc3)c2)cc1 2325704854 JKTODSZFTLRPHP-UHFFFAOYSA-N 432.541 5.851 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccc(C)c(C)c4)c3C)C2=O)cc1 2325738815 IMLKBKQRWAPQMG-UHFFFAOYSA-N 427.500 5.554 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cccc(OC(=O)c3ccccc3Br)c2)c1 2325740458 NIUXRHMWUVCOMX-UHFFFAOYSA-N 435.317 6.181 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(C)c(C)c3)c2)c2ccccc12 2325777390 NQGZICAAAKJJMT-UHFFFAOYSA-N 436.507 6.581 30 10 IKEE CCCSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1ccc(O)cc1 2325884089 GGQYTGRPNQAFRX-UHFFFAOYSA-N 446.576 5.533 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1N=Cc1ccc(OC)c(O)c1Cl 2326224835 IFQRICNZPDLTIC-UHFFFAOYSA-N 430.961 5.163 30 10 IKEE CCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1cn(C)c2ccccc12 2326589373 TVSGIIPXMJLKCC-UHFFFAOYSA-N 439.588 5.702 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(Cl)cc3)n2N=Cc2cccc(O)c2)cc1 2329068852 SAGDMASEELCKAO-UHFFFAOYSA-N 448.979 5.711 30 10 IKEE CCCSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2329599727 OMPSLOYHYNKPER-UHFFFAOYSA-N 436.324 5.544 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cc(C)ccc3C)n2N=Cc2cccn2C)cc1 2329999634 BDBVUIYICFOSDF-UHFFFAOYSA-N 429.593 5.307 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2cccc(Cl)c2)cc1 2330004232 UULJPHTZYYROFU-UHFFFAOYSA-N 447.007 6.048 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3sccc3C)c(Cl)c2)cc1C 2330859926 CXCSCZAVBSXKIQ-UHFFFAOYSA-N 426.921 6.142 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1)c1ccc(C(F)(F)F)cc1 2330910949 ZJDKPJDLPLMTCR-UHFFFAOYSA-N 430.809 6.474 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2ccccc2F)nnc1[C@H]1CCCO1 2330961129 RXKVMIIZWHECNE-OAQYLSRUSA-N 438.528 5.008 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(C)=O)c(OCC)c2)cc1OCCC 2331112693 VMRUZFFLFXQYNW-UHFFFAOYSA-N 426.509 5.484 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)CCc1ccccc1C 2331259620 DFDNSHYXUKFHLG-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)CCc1ccc(Cl)cc1 2331293546 YAXRNVWCDBLQNM-UHFFFAOYSA-N 434.919 6.091 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3)c(OC)c2)c1 2331394804 ZRIHSXAUGCKOJL-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1cncc(C)c1 2331429181 BHMMLQMYHWBDMT-UHFFFAOYSA-N 443.543 6.202 30 10 IKEE Cc1ccsc1C=Nn1c(CC(C)C)nnc1SCc1ccc(Cl)cc1Cl 2331471047 HXHJERDPGCODKV-UHFFFAOYSA-N 439.437 6.328 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)CC(C)(C)C)c(Br)c2)cc1 2331496222 ZXHYUHDMUOYYGN-UHFFFAOYSA-N 443.381 6.810 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)C1CCCC1 2331508717 QXLIUERWLFYOBQ-UHFFFAOYSA-N 432.560 6.539 30 10 IKEE CN(Cc1ccccc1)[C@@H]1CCCCN(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2365059730 VOJBUCJPTCXYFM-XMMPIXPASA-N 447.432 5.217 30 10 IKEE CCCN[C@@H](C#C[C@@H]1CC1(C)C)c1cc(I)ccc1Br 2365070155 HXSKECYVXGNDDU-WBMJQRKESA-N 446.170 5.144 30 10 IKEE CO[C@H](C#C[C@H](N)c1cc(NC(=O)OC(C)(C)C)ccc1Br)C1CCCC1 2369568037 KUXFEZMIASDQMP-RBUKOAKNSA-N 437.378 5.005 30 10 IKEE Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)c3ccc(C(C)(C)C)cc3)cc(C)c2c1 12241394 KODFJQTWUWSWBI-UHFFFAOYSA-N 437.547 5.767 30 10 IKEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2 14477607 HTUGUMJAIGFAJZ-GCKMJXCFSA-N 435.376 5.284 30 10 IKEE Cc1ccccc1CSc1nc2n(n1)[C@@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)N2 20850913 SFTHVDONBHUYLR-QFIPXVFZSA-N 430.577 5.537 30 10 IKEE CCc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(N(C)C)cc2)cc1 21223178 QCBDJKHENAAGJV-ZTOMLWHTSA-N 437.587 6.295 30 10 IKEE CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(F)c2)cc1 21239864 AKXPKDQMFWUDEL-MMTVBGGISA-N 440.562 7.103 30 10 IKEE CN(C)c1ccc(/C=C\C(=O)c2ccc3c4c(cccc24)C(=O)N(c2ccccc2)C3=O)cc1 33909355 XGEPQUCZSUSWEA-AQTBWJFISA-N 446.506 5.603 30 10 IKEE COc1ccc(C(=O)/C=C\c2ccc(OC(=O)c3ccccc3C)c(OC)c2)c(OC)c1 34954252 NZSGXVHPQGFELN-LCYFTJDESA-N 432.472 5.136 30 10 IKEE C=CCOc1cccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccccc2)c1 39874313 LTCVDUHUBXBOSM-QHCPKHFHSA-N 443.886 5.761 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1cc(C)c2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 41290097 NBPGVBCPYVEBFI-XNHXLOTDSA-N 442.467 5.404 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O)c1cccc(F)c1 41430815 OQHWGVFXKPSWHS-YSMPRRRNSA-N 436.438 6.328 30 10 IKEE C=CCOc1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(OC)cc4)csc32)cc1OCC 46076267 LAZCWWLVENINBA-IBGZPJMESA-N 435.545 5.861 30 10 IKEE O=C(Nc1ccccc1)c1c(/N=C/c2ccc(Cl)cc2Cl)sc2c1CCCC2 59245878 SVULHVXKYCKELV-DHRITJCHSA-N 429.372 6.937 30 10 IKEE C=CCn1c(CNc2cccc3ccccc23)nnc1SCc1nc2ccc(C)cc2[nH]1 59265563 OSJGQFVOZZYTLG-UHFFFAOYSA-N 440.576 5.706 30 10 IKEE CCCCCSc1nnc(N/N=C/c2ccc(COc3c(C)cccc3Cl)o2)[nH]1 59880250 FNDKBVBCSNZJRQ-WSDLNYQXSA-N 433.965 5.667 30 10 IKEE O=C(O)CN/C(=N\C(c1ccccc1)c1ccccc1)Nc1cc(Cl)cc(Cl)c1 95565657 QMIBAVZANYVPEF-UHFFFAOYSA-N 428.319 5.225 30 10 IKEE CCCCCCCCCCCCCCCCn1c([C@@H](C)NC(=O)CC)nc2ccccc21 102118312 SBZSLRNLWOIZNJ-XMMPIXPASA-N 441.704 8.105 30 10 IKEE O=C1/C(=C\c2cccc(Cl)c2)CN(Cc2ccccc2)C/C1=C/c1cccc(Cl)c1 104375355 MFHOLABOFBYEGK-YFBGDSSHSA-N 434.366 6.545 30 10 IKEE O=C(/C=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cccc(NC(=O)c2ccccc2)c1 110632378 BRBNCHVADBZXEI-SQFISAMPSA-N 438.439 6.003 30 10 IKEE SCCCCCCOc1c(Br)cc(Br)cc1Br 127128787 HFASFQNAFKDMDJ-UHFFFAOYSA-N 447.030 5.843 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2ccc(OC)cc2)cc1 169923553 PEAVGSOHEBQSEW-OAQYLSRUSA-N 448.544 5.114 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@@H](c2cccc(OCc3ccc(F)cc3)c2)NC(=S)N1 169937977 MABSONAQOSCKGD-HSZRJFAPSA-N 432.520 5.080 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2cccc(C)c2)cc1 169968322 NKPRJRYXUUYIOX-HSZRJFAPSA-N 433.454 5.619 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2cccnc2)cc1 170002930 IYTJQMLWMUOCSF-SANMLTNESA-N 448.522 6.141 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@@H]2c2cccnc2)cc1 170008083 XRFVRDMGOFCKBN-RUZDIDTESA-N 434.495 5.580 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2C2CCCC2)cc1 170034199 PNEHAOCSFAHBJU-HXUWFJFHSA-N 440.565 5.070 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2c[nH]c3ccccc23)cc1 170075377 IYGNPSLZEUPZPJ-OAQYLSRUSA-N 443.528 5.333 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)c(C)cc4[nH]3)[C@H]2c2ccco2)c1 170098824 OPEWHHPNMSCVHF-QFIPXVFZSA-N 441.487 5.172 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(O)cc2)ccc1Cl 170132951 JXAAXBPMJRIEQU-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2C2CCCCC2)c1 170145500 ODCJRFIUZSPZIB-XMMPIXPASA-N 431.532 5.231 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2cccs2)cc1 170156819 ZIQVEKNGOBTLGF-JOCHJYFZSA-N 433.529 5.410 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1cccs1)c1ccc2ccccc2c1 170163591 RWYINZOSKXOIEA-QFIPXVFZSA-N 426.497 5.075 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccccn1)c1ccc2ccccc2c1 170168145 UMFLKNMXKKXAFT-QFIPXVFZSA-N 426.497 5.075 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccccn1)c1ccc2c(c1)CCCC2 170173876 NRVWPNRKJSBYEQ-HSZRJFAPSA-N 444.918 5.397 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1ccncc1)c1ccc2c(c1)CCCC2 170207018 XLFSRZCZQFIWES-HSZRJFAPSA-N 446.453 5.022 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccccc2)ccc1Cl 170225380 MYVBTHCFZLEVDT-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2ccccc2)c1C 170225980 VGBDEEVEGDOCPP-VWLOTQADSA-N 439.511 5.411 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 170226842 XXVCNUJSPXJEJW-FQEVSTJZSA-N 434.835 5.031 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2c[nH]c3ccccc23)cc1 170256490 QKZFYZSKPXSCAC-XMMPIXPASA-N 444.531 5.478 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccco1 170284310 QGYHUVTUMZGWMI-HSZRJFAPSA-N 443.886 6.178 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1cccc(Oc2ccccc2)c1 170455975 LLKOLMRILJTVRU-QHCPKHFHSA-N 445.490 6.133 30 10 IKEE CSc1nc(-c2cccc(Cl)c2)c(C#N)c(N2CCN(c3cccc(C)c3)CC2)n1 242943948 HDDCIDUEBGRVMG-UHFFFAOYSA-N 435.984 5.026 30 10 IKEE CCC(=NOC(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(-c2ccccc2F)cc1 254622542 ADZBNKGIVDPVME-UHFFFAOYSA-N 431.294 7.162 30 10 IKEE Cc1ccc(O)c(C(CCCCCCCCCCC(=NO)c2cc(C)ccc2O)=NO)c1 254877439 ANFNIGZCOYDJTJ-UHFFFAOYSA-N 440.584 6.672 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1Br)NCCC 406770602 XVNJLDMVASUIIL-RTBURBONSA-N 425.411 5.219 30 10 IKEE C=C(C)CC(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 514250972 IAJBBUUVMWTBBH-MLKWKJRISA-N 444.612 5.142 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccs2)cc1OC 526605506 QXUTZGCSEDZQQM-QHCPKHFHSA-N 446.528 5.474 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1cccc(OC(C)C)c1 526811180 DDSFILHWMPPNQX-QQXSKIMKSA-N 436.625 6.199 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1cccc(C(F)(F)F)c1 526811631 PIFHZFZIGBYLGL-VYYCAZPPSA-N 446.542 6.431 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1c(O)ccc2ccccc12 526819290 RDQQNAXXDCGCIG-YSMPRRRNSA-N 430.577 5.881 30 10 IKEE CCCCOc1ccc(/C=N\n2c(C)nnc2SCc2cccc3ccccc23)cc1 526821525 XBUQYMTVIIMKOZ-ONUIUJJFSA-N 430.577 6.093 30 10 IKEE C=C(C)CN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(OC(C)C)cc1 586149431 BCQBFARQQSFGAZ-UHFFFAOYSA-N 427.488 5.260 30 10 IKEE C=CCN(c1ccc(N2CCC(C)CC2)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586243500 QJMMMJLHCLUKBE-UHFFFAOYSA-N 439.408 5.611 30 10 IKEE C=CCCN(c1ccc(Br)c(C)c1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586252240 VXVLNSOOSUVLCL-UHFFFAOYSA-N 436.415 5.826 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)c(F)c1F 689647091 MKCYCEHEUXANPT-YJBOKZPZSA-N 447.364 5.628 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCc2ncccc2C1 698449882 ACYKCXWLDMHPGS-OAQYLSRUSA-N 428.330 5.037 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@H](C#N)c1sccc1Br 698902987 QIHANBZSFKMKLX-CQSZACIVSA-N 427.751 6.170 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 698940861 BSURPJMSONUMRC-WAIKUNEKSA-N 433.524 5.106 30 10 IKEE CC(=NNc1nc(SCC(=O)N(c2ccccc2)c2ccccc2)n[nH]1)c1ccccc1 1084387850 NCQIEINKCZNBTA-UHFFFAOYSA-N 442.548 5.098 30 10 IKEE Cc1ccc(/C=C/C(=O)Nc2cccc3c(OC(=O)Nc4ccccc4C#N)cccc23)cc1 1858773607 GDWUIBRVKZLUOD-WUKNDPDISA-N 447.494 6.283 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)c1ccc(-c2ccccc2)cc1 1861474661 LSOCCTLVBHMKJN-AREMUKBSSA-N 436.640 6.509 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc(O)c1 1862430260 GXGAXUYYECORRC-HTAPYJJXSA-N 441.955 5.983 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)cc1 1862445318 SJSSCZCZNDJKEN-UPKQVVFYSA-N 439.939 5.506 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(F)cc2)cc1 1862474983 ZYADHRAWQINMRU-IQGLISFBSA-N 443.518 6.036 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccc(C(C)C)cc2)cc1 1862477699 PBMLFHROAUYNHE-VWLOTQADSA-N 443.518 6.036 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc2ccccc12 1862480902 RDVJPXXBEPOEFU-RUZDIDTESA-N 427.544 6.307 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccc(Cl)c1 1862490807 DSOXMNBTRRZQPO-QFIPXVFZSA-N 425.956 6.115 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2cccs2)cc1 1862501830 LMMZSZLUUGTPCV-JOCHJYFZSA-N 435.520 5.537 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(O)c(OC)c1 1862506308 YSYDGMSWQBYECL-JOCHJYFZSA-N 441.499 5.007 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862506803 AYUPCLCTLVMNEW-XMMPIXPASA-N 435.539 6.134 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CCC(C)C)c1 1862581411 HNGOQYFWSSODBI-HXUWFJFHSA-N 448.346 5.626 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1cccc(F)c1 1862617074 UNWGIRHEZZHKBP-JOCHJYFZSA-N 439.527 5.128 30 10 IKEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccccc1Cl)c1cccc2ccccc12 1862654184 WSCVOYUWYPCYFP-GAJHUEQPSA-N 447.918 5.251 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccccc1C(=O)O 1862664139 FLYAXLWDQORRMV-HSZRJFAPSA-N 449.547 5.667 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc(OC)c1 1862672742 GDWYQOSJJTUDFH-NFBKMPQASA-N 439.527 5.772 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1Cl 1862683851 VLLIZMFYOVPTIS-LJQANCHMSA-N 436.310 5.901 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(C)cc1 1862686653 BAGPEKJRVCNKSV-XMMPIXPASA-N 435.564 5.942 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(OCCC)cc1 1862716946 RZJBUVFIOXPVKO-DEOSSOPVSA-N 427.500 5.393 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cc(Cl)cc(Cl)c1 1862743370 AMQZMBWLBHSXTF-GOSISDBHSA-N 449.290 5.280 30 10 IKEE CSc1cccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1862798029 XMDVNLCZBICTRH-UHFFFAOYSA-N 445.931 5.330 30 10 IKEE Cc1cc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cccc4ccccc34)C2=O)ccc1F 1863089764 FNEXYUSFMYBYGZ-UHFFFAOYSA-N 447.469 5.556 30 10 IKEE CC(C)Oc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 1863363384 YASZSNRWFLZWET-FDDCHVKYSA-N 443.547 5.116 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccccc2Cl)C1=O 1863446390 YTRZDZCJNAWCBV-UHFFFAOYSA-N 435.955 5.764 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@H](C)CC)=C(c2ccc(OC(C)C)cc2)C1=O 1863695326 DGLUNWWVSMMLDK-OAQYLSRUSA-N 442.644 6.083 30 10 IKEE Cc1sc(NC(=O)c2ccc(OCC#N)cc2)nc1-c1ccc(Br)cc1 1865939882 RETRVGISYPBYDD-UHFFFAOYSA-N 428.311 5.036 30 10 IKEE CC[C@@](C)(NC(=O)C[C@@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1ccccc1C#N 1866784373 VPDQTIMLPFGREW-WNCULLNHSA-N 443.522 5.143 30 10 IKEE Cc1cccc2cc3c(nc12)N(c1cc(Nc2ccccc2C#N)nc(C(C)(C)C)n1)CC3 1868350883 OMFNBTSPTWDGIB-UHFFFAOYSA-N 434.547 5.940 30 10 IKEE C=CCn1cc(OCCOc2ccc(Cl)cc2)c(=O)cc1CSCc1ccccc1 1870266305 XOORWUOHEAORFL-UHFFFAOYSA-N 441.980 5.579 30 10 IKEE CCCCCCCOc1cn(CCCn2ccnc2)c(CN(CCC)CCCC)cc1=O 1870416738 MTVTUYUGNTWCOE-UHFFFAOYSA-N 444.664 5.496 30 10 IKEE C=CCn1cc(OCc2c(Cl)cccc2Cl)c(=O)cc1CNc1cccc(F)c1 1871049685 NKUMJZGSQBJRCN-UHFFFAOYSA-N 433.310 5.671 30 10 IKEE C=CCn1cc(OCc2c(F)cccc2Cl)c(=O)cc1CNc1ccc(C)c(C)c1 1871089688 XJKPAUMMNRGQGA-UHFFFAOYSA-N 426.919 5.635 30 10 IKEE CCCCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccccc1OC(F)F)C3=O 1871352166 SFPKAGJUDQFKMZ-BKUYFWCQSA-N 429.463 5.636 30 10 IKEE O=C(Cc1cc(Cl)ccc1Cl)Oc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O 1871376344 GMBCUHNLIPVOIA-FBHDLOMBSA-N 425.267 5.758 30 10 IKEE Cc1cc(O)c(CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c2c1C(=O)/C(=C/C=C/c1ccccc1)O2 1871394461 ZHFFRKXDYOTXNJ-FIRRHGOCSA-N 443.587 6.274 30 10 IKEE COc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccccc1F)C2=O 1871412603 WPLFJLZREUETIN-GMPVXANTSA-N 447.462 5.165 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCc4ccc(C(=O)OC(C)C)cc4)cc(C)c3C2=O)c1 1871413989 HFAODOBATAQAEK-QFEZKATASA-N 442.511 6.064 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OCCC(=O)Nc3ccc(C)cc3)cc(C)c2C1=O 1871431237 KPRKTBWNOJONIG-IWIPYMOSSA-N 443.499 5.336 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(Cl)c(C)c2)[nH]c(N(CC)CCCC)n1 1871663534 CCCVNLFCWMBMRP-UHFFFAOYSA-N 447.071 6.398 30 10 IKEE N#C[C@@H](C(=O)c1cc(Cl)ccc1Cl)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872759154 GDGZUDPOZCXUTN-FQEVSTJZSA-N 449.362 7.274 30 10 IKEE C[C@@H](Oc1ccc(Cl)cc1)C(=O)[C@H](C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872763042 COHXCXKFLGIXFM-PXAZEXFGSA-N 427.869 5.015 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccc(C(C)(C)C)cc3)n2)cc1 1872770145 KZHMSCALPAFXIL-JOCHJYFZSA-N 432.589 6.452 30 10 IKEE COc1ccc(C)cc1-c1csc([C@@H](C#N)C(=O)[C@H](C)Oc2ccc(Cl)cc2)n1 1872770779 FBNCGFMVBCBZHP-KSSFIOAISA-N 426.925 5.424 30 10 IKEE COc1cc(OC)c(-c2csc([C@H](C#N)C(=O)c3ccc4cc[nH]c4c3)n2)cc1Cl 1872783205 UQXBGVCWZOFQPT-OAHLLOKOSA-N 437.908 5.452 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)s3)n2)c(OCC)c1 1872783581 DDYXTKFWCGOROE-CQSZACIVSA-N 432.954 5.812 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)COc3ccc(Cl)cc3)n2)cc1C 1872787250 FJERTUURXXMZEN-GOSISDBHSA-N 426.925 5.344 30 10 IKEE C=CCc1ccccc1OCc1cccc(C(=O)N2CCN(c3ccccc3Cl)CC2)c1 1872846594 KDXYLGRHGBVCBC-UHFFFAOYSA-N 446.978 5.610 30 10 IKEE Cc1cc(C)c(C2=C(Nc3ccc(C#N)cc3)C(=O)N(C3CCCCCCC3)C2=O)c(C)c1 1873331539 PJOUVJINTIGMSI-UHFFFAOYSA-N 441.575 5.788 30 10 IKEE N#Cc1nc([C@H]2C[C@@H]2c2ccccc2)oc1N/N=C/c1cccc(OCc2ccccc2)c1 1873471017 URGMFKKQCBMGLP-PKTLLNGUSA-N 434.499 5.842 30 10 IKEE C=C(C)COc1ccc2c(C)c(CCC(=O)NCCCCCCCCCC)c(=O)oc2c1 1873935702 WLIMRBBOPVEQLF-UHFFFAOYSA-N 441.612 6.246 30 10 IKEE CCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1c[nH]c2ccccc12 1874212975 NZJSMUJVLDOVIU-MFKUBSTISA-N 439.972 5.419 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3cccc(C)c3)n2/N=C/c2ccccn2)cc1 1874301588 GWSICDDKFKSQMG-WPWMEQJKSA-N 443.576 5.146 30 10 IKEE Cc1ccccc1CSc1nnc(CC2CCCCC2)n1/N=C/c1c[nH]c2ccccc12 1874406777 VUJJUEBYOLEQKS-OGLMXYFKSA-N 443.620 6.365 30 10 IKEE Clc1ccccc1/C=N/n1c(Cc2ccccc2)nnc1SCCc1ccccc1 1874418477 REHICKMIZNMXDQ-NLRVBDNBSA-N 432.980 5.739 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2-c2ccco2)c1OC 1874463944 JRWDQTIGMGGJNF-ZVHZXABRSA-N 434.521 5.038 30 10 IKEE CCc1ccc(/C=N/n2c(CCOC)nnc2SCc2c(Cl)cccc2Cl)cc1 1874473157 PFTYIKSGHOYADV-ZMOGYAJESA-N 449.407 5.511 30 10 IKEE CCOc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2cccc(C)c2)cc1OC 1874489467 UFZZXGHOXRGLPL-MFKUBSTISA-N 438.597 5.367 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C2CCC2)cc1 1874494772 YMLBTHTVIHRWCX-OEAKJJBVSA-N 437.525 5.027 30 10 IKEE CCCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1/N=C/c1ccc(CC)cc1 1874504813 BHBRYUXOMFJRIO-MFKUBSTISA-N 435.597 5.023 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(CC)n1/N=C/c1ccc(C(C)C)cc1 1874522328 NZDJSPAMBDTVRU-MFKUBSTISA-N 435.597 5.139 30 10 IKEE CCN(Cc1ccccc1)c1ccc(/C=N/n2c(C)nnc2SCc2ccccc2)cc1 1874532667 VBENPOPBLXOGDN-OVVQPSECSA-N 441.604 5.788 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C)cc2C)c1OCC(=O)Nc1ccccc1C 1874578889 LFWMPTGZUCEYJE-FYWRMAATSA-N 429.516 5.534 30 10 IKEE C[C@@H](NC(=O)COc1ccccc1/C=C/C(=O)c1cccc2ccccc12)c1ccccc1 1874582594 WCFKUVHSJZAESJ-XDSRXIPYSA-N 435.523 5.992 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cccc(OC)c2OCc2cccc(C)c2)c1 1874587699 ZQXAUZGOHJAPSE-FYWRMAATSA-N 446.543 6.276 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccccc1OCc1cccc2ccccc12 1874589780 CKRATGCGFFUENG-HTXNQAPBSA-N 434.579 7.921 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1OCc1c(F)cccc1Cl 1874593220 YFTDQNITIQHEQT-CSKARUKUSA-N 441.842 5.871 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Cl)c1OCc1ccc(C)cc1 1874611240 DHBPJGNVLNPMLQ-DHZHZOJOSA-N 442.889 6.800 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1Cl)Nc1ccccc1 1874611392 HFQZUQBJTIQLJP-UXBLZVDNSA-N 427.834 5.532 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3ccc(F)cc3)c(OC)c2)cc1 1874613815 ORNJPZJAFFPBML-VGOFMYFVSA-N 436.479 5.717 30 10 IKEE Cc1ccc(C)c(COc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2Br)c1 1874618291 SZORLVNLBKCMKN-PKNBQFBNSA-N 449.388 7.158 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)cc([N+](=O)[O-])c1OCc1ccccc1 1874619896 YCZFOGKVRQYHTO-VAWYXSNFSA-N 447.487 5.786 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)ccc1OCc1cccc(Cl)c1 1874635266 IXIZUJZTHPHQAL-JLHYYAGUSA-N 448.990 7.430 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(OC)c1OCc1ccc(F)cc1 1874635794 YJUOYMQCETVTET-JLHYYAGUSA-N 444.546 6.963 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC(=O)CC34CC5CC(CC(C5)C3)C4)c2)cc1 1874694842 WQHAWXBUMABFMB-DHZHZOJOSA-N 428.572 6.657 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1OC(=O)c1cccc(C)c1 1874695277 SKUIWOYMZJZYDZ-UXBLZVDNSA-N 441.310 6.426 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OC(=O)c1ccc([N+](=O)[O-])cc1 1874696730 DRSJRCVGXCIXHG-WUXMJOGZSA-N 437.835 5.372 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OC(=O)c1ccc(C(C)(C)C)cc1 1874697327 SKCVOJVTEDDCPC-OQLLNIDSSA-N 448.946 6.761 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)CC3CCCCC3)c2)cc1C(C)C 1874710841 KTQUXWPVKJYQLD-BUHFOSPRSA-N 434.576 6.899 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(OC)c1OC(=O)CC(C)C 1875096154 ZKOQCBJZDCLJIE-SDNWHVSQSA-N 428.528 6.425 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(Cl)cc3)c(Cl)c2)cc1 1875113908 DWGPLQYQXZFTAT-UUILKARUSA-N 441.310 6.046 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)Oc3ccc(Cl)cc3)cc2)cc1 1875156114 LAJRXVNYJVKUSM-KCCVMSORSA-N 448.946 6.732 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N1C[C@@H](C)C[C@H](C)C1)n2CCC 1875205664 XYGQXOPRSAGQRJ-PMACEKPBSA-N 427.637 5.732 30 10 IKEE CC(C)[C@@H]1CC=C(C(=O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CC1 1875634005 PZLUHPIERSULDM-RUZDIDTESA-N 440.583 7.410 30 10 IKEE CCN[C@H](C#CC1(SC)CCC1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 1899967544 STIIZBOJMGRHME-QFIPXVFZSA-N 430.658 5.471 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1922107873 PIEZTGIQJXOINQ-VXNXHJTFSA-N 430.633 5.459 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(C)cc(Br)c1F 1926708415 GMZHJSGOSDKSEX-MJGOQNOKSA-N 443.401 5.797 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1949107950 CUZLDBKCUBUQQM-OMXJDXKCSA-N 447.963 5.373 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CN(C(=O)OC(C)(C)C)CC[C@H]2C)cc1 1999945898 UCCUXWDJVBOFJO-KOSHJBKYSA-N 429.561 5.276 30 10 IKEE CC#CCCC[C@H](NCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2018320862 NARKQUHCMKJWLQ-OZXSUGGESA-N 428.617 5.002 30 10 IKEE CCCCC#CC[C@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2024371772 VMVJYTCEFPOBBN-NHTMILBNSA-N 430.633 5.437 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCC[C@H]2CNC(=O)OC(C)(C)C)c1 2032217267 PCZCXBDVUNBWIH-DFBJGRDBSA-N 443.588 5.714 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CN(C(=O)OC(C)(C)C)C2(CCCC2)C1 2049704206 LMXBLHGJRJBZRH-ZEQRLZLVSA-N 442.644 5.697 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H](CNC(=O)OC(C)(C)C)C2(C)C)c1 2053048084 KMYNGJVIDBVBMF-BVZFJXPGSA-N 443.588 5.570 30 10 IKEE Cc1cccc(C=CC(=O)c2c(-c3ccc(Cl)cc3)c3ccccc3n(C(C)C)c2=O)c1 2053614403 PSBSCCSRGOWPKJ-UHFFFAOYSA-N 441.958 7.107 30 10 IKEE CCc1ccc([C@@H](C(C)C)n2nc(C(F)F)c(C#N)c2I)cc1 2079138642 XYDGIMONUJBSAR-OAHLLOKOSA-N 429.252 5.105 30 10 IKEE CC(C)Oc1ccc([C@H](C(C)C)n2nc(C(F)(F)F)c(C=NO)c2Br)cc1 2080064841 YCWVSCAMUPCWKB-HNNXBMFYSA-N 448.283 5.505 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]([C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 2082162630 UGSLXHQKAJPEOB-NVTAWBTOSA-N 447.551 5.543 30 10 IKEE C=CCC[C@H](C)[C@@H](NCCC)c1cc(I)ccc1Br 2102099717 FXSLTLJZZSUCEJ-BLLLJJGKSA-N 436.175 5.697 30 10 IKEE C=CCCCCCCCCNc1cc(Br)ccc1I 2142452552 ITCJRNUQSPXPAN-UHFFFAOYSA-N 436.175 6.382 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)C[C@H]2CCCC[C@]2(C)C1 2154234308 OWNNQFDYJSNPKZ-NPFVIJTESA-N 433.390 6.443 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@]2(CNc3ccc(C#N)c(Br)c3)CCC[C@@H]12 2165308433 UOUZUUDAFVVHGD-WIYYLYMNSA-N 434.378 5.302 30 10 IKEE CCCN(CC(C)(C)CNC(=O)OC(C)(C)C)c1cc(Br)cc(F)c1C#N 2174811988 FQEQYULEYDEWIZ-UHFFFAOYSA-N 442.373 5.227 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1cnn(C(F)(F)F)c1 2175133618 IETRJXXBCQKMJH-AWEZNQCLSA-N 445.239 5.128 30 10 IKEE CCCCCCC[C@@H](O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229099170 WTVOVHCXSAUMCF-RTBURBONSA-N 428.411 5.606 30 10 IKEE CC(C)[C@H](CCNC(=O)OC(C)(C)C)CCC(=O)C#Cc1ccccc1Br 2235730629 VWAFETOVZJSEQO-KRWDZBQOSA-N 436.390 5.337 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)[C@@](C)(NC(=O)OC(C)(C)C)C(C)(C)C 2235744997 APVIAWFKIHKQBU-XMSQKQJNSA-N 437.422 5.108 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)C[C@@H](C)CCNC(=O)OC(C)(C)C 2235747468 QDIWEBFDEXXWBA-PKOBYXMFSA-N 437.422 5.110 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1C[C@H]2CCC[C@H]1N2C(=O)OC(C)(C)C 2252696377 IHDTVIGEXCQNBK-QPXUXIHVSA-N 428.617 5.306 30 10 IKEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)cc(C(C)C)c1 2280716894 AUCZHTZSCMHNSV-WOJBJXKFSA-N 437.422 5.530 30 10 IKEE C=CCCC1(C(=O)Nc2ccc(Br)c(F)c2C)CN(C(=O)OC(C)(C)C)C1 2281015695 YUUDWQRHYXZYAL-UHFFFAOYSA-N 441.341 5.038 30 10 IKEE COc1cccc(C=C2SC(=Nc3ccc(C)cc3)N(Cc3ccccc3)C2=O)c1OC 2293335506 QXCHNEVRCWRNJA-UHFFFAOYSA-N 444.556 5.816 30 10 IKEE CC(C)(C)OC(=O)N[C@](C)(C(=O)C#Cc1ccc(Br)cc1)C1CCCCC1 2296286230 JEWDTOZDGGLOEU-QFIPXVFZSA-N 434.374 5.233 30 10 IKEE CCCCCCCCCN=Cc1c(-c2ccccc2)[nH]n(-c2nc3ccccc3s2)c1=O 2296907996 QTYNXWDCVBVOKC-UHFFFAOYSA-N 446.620 6.612 30 10 IKEE COc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCc2cccs2)C4)cc1 2296984284 UZIUYUBJNUDGQU-UHFFFAOYSA-N 433.529 5.076 30 10 IKEE COc1ccc(C=NN=C2SC(=NC(C)(C)C)C(=NC(C)(C)C)N2c2ccccc2)cc1 2297460565 NFRLCTNVQZPKGY-UHFFFAOYSA-N 449.624 6.033 30 10 IKEE C[C@@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC(=Cc1ccnn1-c1ccccc1)C2=O 2297556302 PSHMDRHQJHJFAC-NEORWOPRSA-N 442.603 5.758 30 10 IKEE CCCCCCCOc1ccc(NC(=S)NC(=O)C=Cc2ccc(Cl)cc2)cc1 2313864643 XUNWRRQUNWBZNL-UHFFFAOYSA-N 431.001 6.216 30 10 IKEE O=C1C(=Cc2cccc(Cl)c2)SC(=Nc2cccnc2Cl)N1C1CCCCC1 2314540468 QMXHCVAWFCUREF-UHFFFAOYSA-N 432.376 6.325 30 10 IKEE C=CCC(CC=C)[C@@H](NCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2316686067 OLHLTAHSIYFPMD-XMMPIXPASA-N 441.660 5.292 30 10 IKEE N#Cc1cnn(-c2ccc3ccccc3n2)c1NC(=O)C=Cc1ccc(Cl)cc1Cl 2320450692 DVIRCDLTADVTTR-UHFFFAOYSA-N 434.286 5.251 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(SCCc2ccccc2)nnc1C1CC1 2320859324 WMRJUBVSCAQAMB-UHFFFAOYSA-N 428.561 5.534 30 10 IKEE CCc1nnc(SCC(=O)Nc2cccc(C)c2)n1N=Cc1ccc(C(C)(C)C)cc1 2320956005 DCWICUUOOJSJBW-UHFFFAOYSA-N 435.597 5.059 30 10 IKEE Fc1ccc(Br)cc1C=Nn1cnnc1SCc1c(F)cccc1Cl 2321347243 BLUNXCGKHKZOPB-UHFFFAOYSA-N 443.704 5.147 30 10 IKEE Cc1ccsc1C=C1Oc2c(cc3c(c2C)OCN(Cc2ccc(Cl)cc2)C3)C1=O 2322305681 JLPTVNDTQZZKCD-UHFFFAOYSA-N 437.948 5.987 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2cc(C)cc(C)c2)cc1 2322457353 IZKTXZFONVXTKN-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2OC(F)F)C3=O)cc1 2322687525 SNOVZFDLPQZJLT-UHFFFAOYSA-N 438.382 5.132 30 10 IKEE COc1cccc(C=CC(=O)c2c(C)cc(C)cc2C)c1OCC(=O)Nc1cccc(C)c1 2322952970 SLRPSJZRYLZKGN-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc(C=CC(=O)c3ccc4ccccc4c3)cc2)c1 2323395816 NFWNVNVYGTWAGJ-UHFFFAOYSA-N 435.523 6.370 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OCC(=O)OCC(C)C 2323433477 NQNCNHLJFDGIBR-UHFFFAOYSA-N 436.548 5.438 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)c(OCc3cc(C)ccc3C)c(OC)c2)cc1 2323461266 RLIOEGZBRLCVPW-UHFFFAOYSA-N 434.963 7.003 30 10 IKEE CCCCCCCCCOc1ccc(C=Nn2c(S)nnc2CCCC)cc1OC 2323499469 NLCHAIYLHGRYTI-UHFFFAOYSA-N 432.634 5.930 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OC(=O)C=Cc4ccc(C(C)C)cc4)c3C)C2=O)c1 2323503994 AUMLCDLUQDUKNN-UHFFFAOYSA-N 438.523 6.662 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2323628066 IZLQESJJIBMURD-UHFFFAOYSA-N 448.858 5.409 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccc([N+](=O)[O-])cc1 2323674960 SJNJSWWRAVJLBT-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE O=C(C=Cc1ccc(OCc2c(F)cccc2Cl)c([N+](=O)[O-])c1)c1cccc(Cl)c1 2323766836 GPEQQDSRJHXUOS-UHFFFAOYSA-N 446.261 6.516 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)c1 2323839042 CDRKCVIVEYSHEB-UHFFFAOYSA-N 432.447 5.758 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OCC(=O)Nc1ccccc1 2323854366 QKSXOLLHBWRHBU-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE CCCCCCCCCOc1ccc(C=NNC(=S)NC2CCCCC2)cc1Cl 2323854648 IPIROLUTTRCRMT-UHFFFAOYSA-N 438.081 6.600 30 10 IKEE Cc1cc(OC(=O)c2ccc(OC(=O)C(C)C)cc2)cc2c1C(=O)C(=Cc1cccs1)O2 2323933884 WEEVJAHMLPDZRK-UHFFFAOYSA-N 448.496 5.453 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 2324088395 KANOYLFEKWHVBA-UHFFFAOYSA-N 437.835 5.452 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2F)c([N+](=O)[O-])c1)c1cccc2ccccc12 2324139914 MMSYJSXHTKYRLH-UHFFFAOYSA-N 427.431 6.362 30 10 IKEE CCCOC(=O)COc1ccc(C=CC(=O)c2ccc(OCC)cc2OCC)cc1Cl 2324492742 VGEIWUCUGSWGAE-UHFFFAOYSA-N 446.927 5.366 30 10 IKEE COc1ccc(OC)c(C=CC(=O)[C@@H](C#N)c2nc(-c3cccc4ccccc34)cs2)c1 2324641516 MUWLHEKNALCMJL-JOCHJYFZSA-N 440.524 5.870 30 10 IKEE COc1ccc(OCCOc2cc(C)c3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1 2324684666 LODUVHZYYBGJEP-UHFFFAOYSA-N 444.527 6.201 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1cccc(Cl)c1)C2=O 2325494441 ZQOHMIFFXOAVMD-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1c(OC)ccc2ccccc12 2325541230 CYCBGZPOWGQEKQ-UHFFFAOYSA-N 430.577 5.875 30 10 IKEE CCCCOc1ccc(C=Nn2c(CC)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1 2325589621 WCNVTEDCRYOWDT-UHFFFAOYSA-N 439.541 5.102 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccc(C)o2)C3=O)cc1 2325622973 NPSXJSZXAKIILV-MRXNPFEDSA-N 445.515 6.044 30 10 IKEE CCCCOc1ccc(C=Nn2c(C)nnc2SCc2c(Cl)cccc2Cl)cc1 2325631417 LQPPCSIORTVQJF-UHFFFAOYSA-N 449.407 6.247 30 10 IKEE COc1ccc(C=Nn2c(C)nnc2SCc2ccc(Cl)c(Cl)c2)c(OC)c1 2325642614 UZRCOZXTQMUIQL-UHFFFAOYSA-N 437.352 5.085 30 10 IKEE CCCCCCOc1ccc(NC(=O)C(=O)C=Cc2ccc(OCCC)c(OC)c2)cc1 2325649360 WFMLPHPRJIQGJH-UHFFFAOYSA-N 439.552 5.664 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2cccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 2325684766 REXCOTXONGVAML-UHFFFAOYSA-N 445.471 5.564 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2)cc1OC 2325703796 NEGKYRPBANRXFX-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE CCOc1cccc(C(=O)Oc2cccc(C=CC(=O)c3cc(C(C)(C)C)ccc3C)c2)c1 2325765902 JSHFYAUJVRPNMQ-UHFFFAOYSA-N 442.555 6.807 30 10 IKEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C[C@@H]1CC(C)C 2326269613 BUXVPPGABCTPOF-NVQXNPDNSA-N 444.616 5.191 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1cccc(Cl)c1 2327365851 NJZSRHVCDKZGMY-UHFFFAOYSA-N 441.000 6.013 30 10 IKEE C=C(C)CSc1nnc(Cc2cccc3ccccc23)n1N=Cc1cccc(Cl)c1 2327749716 QTBINGVQFYXUCS-UHFFFAOYSA-N 432.980 6.226 30 10 IKEE CCN(CC)c1ccc(C=C2C[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]3(C)C2=O)cc1 2328655261 YBEKPIMBAMWIIE-DIBLIPFTSA-N 429.604 6.357 30 10 IKEE Cc1cccc(C=Nn2c(COc3ccc(C)cc3C)nnc2SCc2ccccc2)c1 2328897877 YFTKWLJONKGOIB-UHFFFAOYSA-N 442.588 5.957 30 10 IKEE CCCSc1nnc(COc2ccc(C)cc2C)n1N=Cc1ccc(C(C)(C)C)cc1 2328904702 GNNXZSACXPRUJF-UHFFFAOYSA-N 436.625 6.156 30 10 IKEE Cc1ccc(C=Nn2c(Cc3ccc(C)c(C)c3)nnc2SCc2ccccc2C)cc1 2329395402 CGJJUPHGHINLJB-UHFFFAOYSA-N 440.616 6.277 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3F)n2N=Cc2ccccc2C)cc1C 2329423936 HPNJCNKLMRTWQA-UHFFFAOYSA-N 444.579 6.108 30 10 IKEE COc1ccccc1C=Nn1c(Cc2ccc(C)cc2)nnc1SCc1cccc(C)c1 2329947237 NVHYGUYZALLYOA-UHFFFAOYSA-N 442.588 5.669 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(O)c(O)c1 2330066088 JFLZUARIXWNTFH-MRXNPFEDSA-N 448.523 5.155 30 10 IKEE Cc1ccc(CSc2nnc(CC3CCCCC3)n2N=Cc2ccc(C(=O)O)cc2)cc1 2330221816 VPVYBAMCBDRUES-UHFFFAOYSA-N 448.592 5.582 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(Cl)c1OC(=O)C1CCCC1 2330667964 LUYZSUDLZQLVTP-UHFFFAOYSA-N 448.946 6.884 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)Cc3ccccc3)c(OC)c2)cc1 2330742447 PCESDQHOEZOEER-UHFFFAOYSA-N 430.500 5.310 30 10 IKEE COc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2cccc(C)c2)cc1OC 2330821852 MRRMTJSXYPOBLQ-UHFFFAOYSA-N 438.597 5.367 30 10 IKEE CCCN(CCC)C(=O)CSc1nnc(CC(C)(C)C)n1N=Cc1ccc(CC)cc1 2330866698 HZTHBSCNEPPZGW-UHFFFAOYSA-N 443.661 5.052 30 10 IKEE Cc1cccc(CSc2nnc(C3CCCC3)n2N=Cc2ccc(Cl)cc2Cl)c1 2331046924 CKVAMCVISOQFRF-UHFFFAOYSA-N 445.419 6.725 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)c2ccc(Cl)cc2)c(Cl)c1 2331059325 IYZXWZYLXHEYRW-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE Cc1ccc(C=Nn2c(SCC(=O)N[C@H](C)c3ccccc3)nnc2C2CCCC2)cc1 2331096895 DORTVWUCVBEXQQ-LJQANCHMSA-N 447.608 5.096 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC(=O)Cc1ccc(Cl)cc1 2331156635 OPQUIMOLJUCBSN-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SCCC)nnc2-c2ccco2)cc1OCC 2331216507 HQYFXKOMPAUFDF-UHFFFAOYSA-N 442.585 5.890 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC(=O)COc1ccccc1 2331371900 PRNAKJGPKKXXTH-UHFFFAOYSA-N 446.499 5.283 30 10 IKEE CCSc1nnc(CC(C)C)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2331445793 MXPCPEJIIAOPFF-UHFFFAOYSA-N 428.989 5.703 30 10 IKEE CC(C)Cc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(C(=O)O)cc1 2331456475 RMPPQLGBPYAHAN-UHFFFAOYSA-N 428.945 5.003 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2[N+](=O)[O-])cc1 2331497873 JBPJROOJFUXTIF-UHFFFAOYSA-N 443.499 6.071 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C(C)C)cc1 2331716282 KHMYARCVMABGSA-UHFFFAOYSA-N 446.979 6.157 30 10 IKEE CCC(=O)Oc1ccc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc1Br 2331748315 HBWJHYPCBLWSMH-UHFFFAOYSA-N 437.717 5.631 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)C(C)(C)C 2331770828 NOLWPRAOBKKUNS-UHFFFAOYSA-N 428.956 6.512 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(Cl)cc3)cc2)cc1Cl 2331814955 IGBVZKWXLZKZOB-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)c1ccccc1F 2331864107 COIHWYWHQKIBIU-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc(C)cc(C)c3)cc2)c2ccccc12 2331866022 KSDFSRRASHTAFG-UHFFFAOYSA-N 436.507 6.581 30 10 IKEE N#Cc1nnn(-c2ccc(Nc3ccccc3)cc2)c1NC(=O)C=Cc1cccc(Cl)c1 2332188865 UTCVOYWZRDMMHW-UHFFFAOYSA-N 440.894 5.188 30 10 IKEE CC1(C)OB(c2ccc(CSCc3ccccc3Br)c(F)c2)OC1(C)C 2369002611 FXXMEIKXLYZEPG-UHFFFAOYSA-N 437.183 5.321 30 10 IKEE C=CCSC1=N/C(=C/c2ccc(OC(C)C)cc2)C(=O)N1c1ccc(OC)c(Cl)c1 20152132 FPMODSGDTICMFM-DEDYPNTBSA-N 442.968 5.799 30 10 IKEE C=CCn1c(CCc2ccccc2)nnc1SCc1nnc(-c2ccc(Cl)cc2)o1 20829758 SBWRFOGGUZYDDR-UHFFFAOYSA-N 437.956 5.245 30 10 IKEE COc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccccc1Cl)C2 21235044 BKEBLJRBVZHDQU-YHAMSUFESA-N 430.935 6.328 30 10 IKEE CCCN(CC)C(=O)CCc1ccc(-c2ccc(C)cc2C)n1-c1ccc(CC#N)cc1 23335555 UJJDJRSXWFOYCL-UHFFFAOYSA-N 427.592 6.018 30 10 IKEE CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(C/C=C\c2ccccc2)CC1 33283176 NYPBGSUNIGYVQK-XFXZXTDPSA-N 435.575 5.065 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C\c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 34955290 NRTXQOJRVFDXIG-PXNMLYILSA-N 444.527 6.117 30 10 IKEE COc1cc([C@H]2c3sc(O)nc3SC[C@@H]2C=O)ccc1OCc1cccc(Cl)c1 35531331 VNUPFPYZJDDZSF-KBXCAEBGSA-N 447.965 5.142 30 10 IKEE C=CCN1C(=O)c2[nH]nc(-c3cc(C)cc(C)c3O)c2[C@H]1c1cccc(OCCC(C)C)c1 39912135 YOPRODMBEYHBHN-RUZDIDTESA-N 445.563 5.555 30 10 IKEE CCCCCCCOc1ccc(NCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 100077298 CETLSVIAZSIMRW-UHFFFAOYSA-N 443.802 7.047 30 10 IKEE CCCCCCCOc1ccc(NC(=O)CNc2cccc(NC(=O)C(C)C)c2)cc1 100096629 IOAAGBYMZRBCQO-UHFFFAOYSA-N 425.573 5.681 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2ccccc2OCCCC)cc1 100224765 UNZZRIPAKUQAOG-UHFFFAOYSA-N 442.625 6.342 30 10 IKEE CCOC(=O)C1=C(NC(=O)c2ccccc2C)S/C(=C/c2cccc3ccccc23)C1=O 101421762 CBRLGKFIWQUIKP-RCCKNPSSSA-N 443.524 5.010 30 10 IKEE Cc1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1Cl 102613895 GRDAQYUSBOMGDQ-SADKCHQCSA-N 438.310 5.928 30 10 IKEE O=C1/C(=C/c2ccc(-c3ccccc3)cc2)Oc2cc(OC/C=C\c3ccccc3)ccc21 102726159 QWISISPZCXFDHG-KEKKWJMASA-N 430.503 7.062 30 10 IKEE CCCCCCCCCCCCN(Cn1nnc2ccccc21)Cn1nnc2ccccc21 103004686 WCNZOFFRHPRIOC-UHFFFAOYSA-N 447.631 6.014 30 10 IKEE CCOC(=O)N1C/C(=C/c2cccc3ccccc23)C(=O)/C(=C\c2cccc3ccccc23)C1 108650290 KCXADVDUJSRDAW-MFYXSQMNSA-N 447.534 6.501 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2cccc(OC)c2)c1 169928801 OWEYTGZDDMXEEF-QHCPKHFHSA-N 447.462 5.016 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3ccc(OC)cc3OC)cs2)cc(Cl)c1OC 169940197 BGNIAARNAKLZBT-KSEXSDGBSA-N 447.944 5.334 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccccc2OC)cc1 169943120 MTNRPYYZZFYBFG-RUZDIDTESA-N 441.527 5.657 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(OC(C)C)c2)cc1C 169981554 QYBVTVOOQWSCMB-XMMPIXPASA-N 449.547 5.312 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1cccs1)c1cccc(Cl)c1 169987799 ZXJBIXBWRMSSJY-SFHVURJKSA-N 431.847 5.463 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccccc2)c1 170036282 BVTIQWPLJPDYML-XMMPIXPASA-N 427.500 5.485 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2c2ccccc2)c1 170036437 LQWZPZIOKGFSSP-XMMPIXPASA-N 443.499 5.185 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(O)c(Cl)c1)c1ccc(Cl)cc1 170041523 YFKGMKJFDXPFSK-LJQANCHMSA-N 444.270 5.071 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@H]1c1cccc(OC)c1 170120927 MYYZHSLOYNSMRZ-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccc(O)cc2)cc1 170133499 RJVNTHZTHQLJJL-XMMPIXPASA-N 443.499 5.272 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2cccc(C)c2)cc1 170142131 NCRFXBNHTGSRKF-VWLOTQADSA-N 441.527 5.874 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2cccs2)c1 170156239 YCAUEAFRIPBUGC-HSZRJFAPSA-N 447.556 5.935 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccs2)c1 170159103 ULUBEHJZQAZWCQ-JOCHJYFZSA-N 433.529 5.566 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccccn2)cc1Cl 170170154 QQNSWFSDFPMJOO-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccccn2)c1 170175123 NROIMORPSCJEFM-DEOSSOPVSA-N 436.467 5.032 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(Cl)c3)[C@H]2c2ccncc2)cc1 170204483 YLIUIHRGGVHQJM-HXUWFJFHSA-N 439.298 5.480 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@@H]1c1cccc2ccccc12 170220960 YPWXHADHYJSAMD-QFIPXVFZSA-N 435.907 5.490 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(F)cc1)c1cccc2ccccc12 170241730 LQWJAKGVYZPCNR-XMMPIXPASA-N 438.458 5.152 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2F)cc1 170250562 PILQXZJCSYDNAV-QHCPKHFHSA-N 449.478 5.232 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2C2CCCCC2)cc1 170266654 SSTONUWIGWUMCS-VWLOTQADSA-N 447.575 5.947 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@H]2c2ccco2)c1 170285734 CKXYPRFVYRGATC-XMMPIXPASA-N 445.515 5.775 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2cccc(Cl)c2)o1 170303495 LFUYIBTXDGUSAD-FQEVSTJZSA-N 425.843 5.472 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1sccc1C 170317381 ZJQACQURPVVFHH-LJQANCHMSA-N 445.968 5.630 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@H]1c1sccc1C 170319178 PSVGKTVMVRMELK-KRWDZBQOSA-N 438.574 5.477 30 10 IKEE CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 170469291 KWAMMUOKOLFAMP-JOCHJYFZSA-N 448.563 5.458 30 10 IKEE Cc1cccc(N2C(=O)/C(=C3\Sc4ccccc4N3C)SC2=Nc2ccc(O)cc2)c1 254344691 ZRGPRCMJWHCLBQ-CSFSZXLXSA-N 445.569 5.879 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)c1c(C)nn(-c2ccccc2)c1O 256074105 QEYBRJNAIZCNMB-UHFFFAOYSA-N 440.672 8.331 30 10 IKEE CC1(C)OB(c2ccc(OCCN(Cc3ccccc3)Cc3ccccc3)cc2)OC1(C)C 309565615 FCWADBXMQFBSIG-UHFFFAOYSA-N 443.396 5.067 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)ccc(Br)c1F 407415974 MYKRGZWCSWVGOW-QAPCUYQASA-N 447.364 5.628 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)c(Cl)c3)[C@H]2c2ccc(O)cc2)cc1 526491624 WOJGKYOQHCVMOG-OAQYLSRUSA-N 437.282 5.628 30 10 IKEE CC(C)COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2F)cc1 526744804 YOVQEUXQJGHBAG-DEOSSOPVSA-N 445.490 5.643 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccccc1C(=O)O 526812909 QPVILIKWCMHTEF-QRVIBDJDSA-N 428.945 5.147 30 10 IKEE C=C(C)CN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 586219241 XZEWYEVRTMLGOM-UHFFFAOYSA-N 427.953 5.690 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1cccc2c1OCC2 693156926 WPHZQRGMTIVNPM-GOSISDBHSA-N 429.314 5.390 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 698375824 VFOBUQLFWUQNFF-OSPHWJPCSA-N 445.560 5.118 30 10 IKEE C[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)CCN1C(=O)OC(C)(C)C 698850456 JPHNDEQANMOYGN-QMHKHESXSA-N 449.979 5.763 30 10 IKEE C[C@H]1N(C(=O)OC(C)(C)C)CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698874059 MAKJKCMWGKLKCW-HOYKHHGWSA-N 435.609 5.628 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@H](C#N)c1cc(Br)cs1 698904932 ZTGWGVUFDCODDA-CQSZACIVSA-N 427.751 6.170 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCCC[C@@H]1C(C)(C)C 710752916 UZITWODAPCFIEQ-XMSQKQJNSA-N 435.406 6.689 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@@H](C#N)c1cccc(F)c1Br 710808174 DLKWCZOONQSTBB-INIZCTEOSA-N 439.712 6.248 30 10 IKEE CC[C@](C#N)(C1CN(C(=O)OC(C)(C)C)C1)N(C(=O)OC(C)(C)C)c1ccccc1C 716120876 JGESZPZWTDPLRO-DEOSSOPVSA-N 429.561 5.276 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 724029072 PDFUZEWBXRNGGT-UZUQRXQVSA-N 449.979 5.811 30 10 IKEE CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2)SC1=Nc1ccccn1 1772732680 YRZPMMBULSBERG-QGNOBFDASA-N 449.963 5.938 30 10 IKEE N#CCc1nc(-c2ccccc2OC(F)(F)F)ccc1-c1ccccc1OC(F)(F)F 1848362026 XDKQIKJRMLANBL-UHFFFAOYSA-N 438.327 6.279 30 10 IKEE Cc1ccc(-n2cc(/C=N\NC(=S)Nc3ccc(F)cc3)c(-c3cccs3)n2)cc1 1857811966 MDHPFYMPOLTAGB-CFRMEGHHSA-N 435.553 5.369 30 10 IKEE CCCCCCCCNC(=O)[C@](C)(CC)NC(=O)/C=C/c1ccc(Br)cc1 1861111672 SZJHJRNYFDGRQB-ANCZKMTESA-N 437.422 5.224 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)/C=C/c1ccc(Cl)cc1Cl 1861555208 HDBKXAMVHYGKBJ-UACNQURRSA-N 441.443 6.158 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CC(C)C)c1 1862385473 QGFNWJJYLJUNLJ-LJQANCHMSA-N 434.319 5.236 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccccc2)cc1 1862387118 DLGNAQWMTJIZMK-FNZWTVRRSA-N 439.555 6.369 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccc(CC)cc2)cc1 1862390602 HVXUTVMXVWTWHL-RUZDIDTESA-N 449.591 5.595 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc(F)c1 1862431025 XYWQLIIXJPYRLS-NYHFZMIOSA-N 435.882 5.819 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CC(C)C)cc1 1862439949 QFMVEFZXHCYNJT-QFIPXVFZSA-N 440.971 5.421 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(C(F)(F)F)cc1 1862466810 BBHBXJYCWJKSPO-KRWDZBQOSA-N 443.343 5.111 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862478038 XQZNQACTZNZLKO-RUZDIDTESA-N 436.511 5.297 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2cccc3ccccc23)cc1 1862480544 JEGROCJQEZKUJO-AREMUKBSSA-N 439.555 6.449 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(C(F)(F)F)cc1 1862495003 ITNFQGQGEFBZAD-HXUWFJFHSA-N 431.454 5.701 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1 1862497045 AKTKPYJYDJFTGH-HXUWFJFHSA-N 442.899 5.099 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2cccc(F)c2)cc1 1862529299 DSDXSDBSORSJMK-JOCHJYFZSA-N 435.520 5.271 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2cccc(O)c2)cc1 1862531626 AIWNGLHHESIZJX-XMMPIXPASA-N 427.500 5.042 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccccc1C 1862534004 PMQXWBZPTXBMIA-WIOPSUGQSA-N 433.592 6.495 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccccc1)c1ccc(Cl)c(Cl)c1 1862580582 NVCFISDEPVFTNK-NRFANRHFSA-N 444.358 6.295 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2[C@H](C)CC)c1 1862654251 KMVOFSXVWPCIFE-OSPHWJPCSA-N 429.516 5.615 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(C(C)C)cc2)=C(O)C(=O)N1Cc1cccs1 1862659747 DQIIECIOKNJFKB-QHCPKHFHSA-N 431.557 5.958 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862677097 YWWDUNDQFXOSGK-MZNJEOGPSA-N 445.490 5.564 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862688063 ROUGAWXTXAUNHL-XMMPIXPASA-N 433.548 5.559 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@@H]2c2ccccc2)c1 1862698797 NNMVPEAQZNINGH-JOCHJYFZSA-N 433.891 5.127 30 10 IKEE N#Cc1ccccc1NC1=C(c2ccc(Cl)cc2)C(=O)N(c2cccc3ccccc23)C1=O 1862794875 KMHPUFFKJDDMFQ-UHFFFAOYSA-N 449.897 5.761 30 10 IKEE Cc1ccc(C2=C(Nc3cccc4c3CCCC4)C(=O)N(c3ccccc3C#N)C2=O)cc1C 1862885481 WAVJQVOUBOFFLI-UHFFFAOYSA-N 447.538 5.451 30 10 IKEE N#Cc1cccc(N2C(=O)C(Nc3cc(Cl)cc(Cl)c3)=C(c3cccs3)C2=O)c1 1863112751 IZTQRPMXGRGIKT-UHFFFAOYSA-N 440.311 5.323 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cccc(C#N)c2)=C(c2cccs2)C1=O 1863477472 BZRAKJLQUMUFER-UHFFFAOYSA-N 435.593 5.952 30 10 IKEE CCCCCCCCCCNC1=C(c2cccs2)C(=O)N(Cc2ccc(F)cc2)C1=O 1863802671 ZTQTYVQJKKYEMV-UHFFFAOYSA-N 442.600 5.898 30 10 IKEE CCC[C@@H](NC(=O)C[C@@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1ccccc1C#N 1866774810 DKNDIUOWGSJUQO-UKILVPOCSA-N 443.522 5.143 30 10 IKEE CCC[C@@H](NC(=O)C[C@@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1cccc(C#N)c1 1866777902 ZIHIIHPPZQNGKK-LOSJGSFVSA-N 443.522 5.143 30 10 IKEE CCCCCCOc1ccc(C(=O)N[C@H](CCC)C(=O)N[C@@H](C#N)c2ccc(C)cc2)cc1 1867567517 VHUZVNCUALZQRQ-RPBOFIJWSA-N 449.595 5.234 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(Cl)cc2)c(=O)cc1CN(C)CCCC 1870439458 YGNVBVKFLSESMO-UHFFFAOYSA-N 447.063 6.673 30 10 IKEE CCCCCCCCn1cc(OC)c(=O)cc1CN(Cc1ccccc1)Cc1ccccc1 1870555012 MFITYGOKTDSYMQ-UHFFFAOYSA-N 446.635 6.420 30 10 IKEE CCCCCCCCn1cc(OCc2cccc(F)c2)c(=O)cc1CN1CCCCCC1 1870614209 BHYGLNPNPNPYNE-UHFFFAOYSA-N 442.619 6.303 30 10 IKEE CCCCCCCOc1cn(CCCOCC)c(CNc2ccc3c[nH]nc3c2)cc1=O 1870830158 FVYBCFHPXLFKOU-UHFFFAOYSA-N 440.588 5.113 30 10 IKEE C=CCn1cc(OCC2CCCCC2)c(=O)cc1CNc1cccc(Br)c1 1870913483 QQBWSEBRVIJWOR-UHFFFAOYSA-N 431.374 5.368 30 10 IKEE CCCCCCCCCCn1cc(OCC(N)=O)c(=O)cc1CNc1ccc(Cl)cc1 1871118433 PWYAJVCUOMLJEI-UHFFFAOYSA-N 448.007 5.119 30 10 IKEE CCc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(C2CCCCCCC2)C4)cc1 1871349650 VHZOAZGCRFWJMM-XYGWBWBKSA-N 431.576 6.438 30 10 IKEE COc1ccc([C@@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2cccc(F)c2)C4=O)cc1 1871354029 FFNWEKIZVGOUIP-ACMDDDSKSA-N 431.463 5.364 30 10 IKEE O=C1/C(=C/c2c(F)cccc2Cl)Oc2c1ccc(O)c2CN1CCc2ccccc2C1 1871394903 WYGLJOHFNKNFSU-FMCGGJTJSA-N 435.882 5.359 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2cccs2)C3=O)c(C)c1 1871411967 RXNFYLBWRPDGLT-RIWZNOJBSA-N 433.529 5.696 30 10 IKEE Cc1cc(OCCC(=O)OCCC(C)C)cc2c1C(=O)/C(=C/c1ccc(Cl)cc1)O2 1871429296 OPLZMUUWRNCQQQ-BKUYFWCQSA-N 428.912 5.623 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O)Nc1ccc(F)c(Cl)c1 1871441585 RSVRRKDWHGXROQ-HEYHWPDRSA-N 449.865 5.669 30 10 IKEE COc1cccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)c1 1871441966 SUOSNPUKJMAOKO-MXAYSNPKSA-N 443.499 5.452 30 10 IKEE CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871448143 GXMXGALFQIGGAM-DBXOKZBGSA-N 441.483 5.220 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccco2)C3=O)cc1 1871450264 DHGIWKSIXHDQPR-GMPVXANTSA-N 431.488 5.735 30 10 IKEE Cc1c(OCC(=O)Nc2ccccc2C(F)(F)F)ccc2c1O/C(=C\c1ccco1)C2=O 1871452152 HPUVXPRKYVNBLR-ODLFYWEKSA-N 443.377 5.241 30 10 IKEE CCCCCCCCN=c1nc(N(C)Cc2ccccc2)[nH]c(=Nc2cc(C)ccc2C)[nH]1 1871671970 NTNBVMGCCWBXCH-UHFFFAOYSA-N 446.643 5.485 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1cccs1 1871870943 DTEDGYBQWPYNKP-SFHVURJKSA-N 441.018 5.022 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872232481 FEHCYNFZBGYBHK-JOCHJYFZSA-N 449.016 5.331 30 10 IKEE Cc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1C 1872759116 DZQLVDDHCMQXGN-DEOSSOPVSA-N 438.552 6.349 30 10 IKEE N#C[C@H](C(=O)/C=C/c1ccc(Cl)cc1Cl)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1872759357 LTZXCMNQYIYONY-BIENSFFJSA-N 444.299 5.915 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)cc3[N+](=O)[O-])n2)cc1F 1872775760 ZFRQZWZTZUXGAN-ZDUSSCGKSA-N 431.832 5.009 30 10 IKEE N#C[C@H](C(=O)COc1ccc(Cl)cc1Cl)c1nc(-c2c[nH]c3ccccc23)cs1 1872777130 HCJMTQNXYBLZTR-CQSZACIVSA-N 442.327 5.853 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc(COc2cccc(Br)c2)cc1 1872863941 PQSBXMOFIVMREA-UHFFFAOYSA-N 446.429 6.899 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@@H]2CCCC[C@H]2C)=C(c2ccc(F)cc2)C1=O 1873137277 COMYSSROGDGWOG-NFBKMPQASA-N 442.619 6.215 30 10 IKEE C=CCN(CC=C)c1nc(Nc2cc(C)ccc2OC)c2cnn(-c3ccccc3)c2n1 1873481516 BWHQXGZXXOEGLT-UHFFFAOYSA-N 426.524 5.055 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C(C)(C)C)c2)cc2c(NCc3ccco3)ncnc21 1873623745 QBWFNIDISLAQHB-UHFFFAOYSA-N 429.524 5.372 30 10 IKEE CCCSc1nnc(CCc2ccc(OC)c(OC)c2)n1/N=C/c1ccc(Cl)cc1 1874222230 LALYYKMTQPOOJR-BUVRLJJBSA-N 444.988 5.118 30 10 IKEE CCCCC1CCC(c2nnc(SCCO)n2/N=C/c2ccc(C(C)(C)C)cc2)CC1 1874286657 RVWNFTQBQYZZPA-NLRVBDNBSA-N 442.673 6.006 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2)n1/N=C/c1ccc(N(CC)CC)cc1 1874317725 ILLYXHDLSNCSLO-LHLOQNFPSA-N 449.624 5.296 30 10 IKEE COc1ccc(/C=N/n2c(Cc3ccc(C)cc3)nnc2SCc2cccc(F)c2)cc1 1874388035 QXNNCWZDDAONQP-JVWAILMASA-N 446.551 5.500 30 10 IKEE Cc1ccccc1/C=N/n1c(CC2CCCCC2)nnc1SCc1ccc([N+](=O)[O-])cc1 1874406805 UNSINVSDRGAOEI-PCLIKHOPSA-N 449.580 5.792 30 10 IKEE C=C(C)CSc1nnc([C@@H]2CCCO2)n1/N=C/c1ccc(OCCCC)c(OCC)c1 1874445952 OWQZMHLCBMOSHI-UDIPQKBFSA-N 444.601 5.258 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2[C@H]2CCCO2)cc1 1874448203 WBFAMGCXBIFDAI-JAMLUQCHSA-N 440.544 5.232 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(SCc2ccccc2F)nnc1C(C)(C)C 1874484218 LAUUXPVDMHXGOG-JFLMPSFJSA-N 448.567 6.051 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1cccc(OC)c1OCC 1874510849 YHNSMRXLXUFTLE-ZVHZXABRSA-N 444.988 5.466 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(C)C)n2/N=C/c2c(Cl)cccc2Cl)c1 1874513803 QJKJWNNXPDORDK-BHGWPJFGSA-N 433.408 6.500 30 10 IKEE CCCOc1c(/C=C/C(=O)c2ccc3ccccc3c2)cc(Br)cc1OC 1874571476 PGOXVWVVDIAAIF-ZHACJKMWSA-N 425.322 6.296 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCc2ccccc2F)cc1C 1874573905 LESBUGNTEGECOG-CSKARUKUSA-N 440.898 6.280 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OC)c2OCc2ccc(Cl)cc2)c1 1874581031 SLOYHLJAKDBGKV-UKTHLTGXSA-N 438.907 5.841 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(F)c(C)c2)c1OCc1nc(O)c2ccccc2n1 1874581215 BWFHUSPONCWXDK-ACCUITESSA-N 444.462 5.267 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccccc2OCc2cccc(Cl)c2)cc1C(C)C 1874584910 HQOGJKUPHAIGFM-OUKQBFOZSA-N 434.963 7.256 30 10 IKEE O=C(COc1ccccc1/C=C/C(=O)c1cc(Cl)ccc1Cl)Nc1ccccc1 1874591501 OEVKUZNJFCSRKP-JLHYYAGUSA-N 426.299 5.907 30 10 IKEE CCc1ccccc1NC(=O)COc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OC 1874595027 PWXRHRKVOFRIFX-OQLLNIDSSA-N 445.515 5.180 30 10 IKEE CCc1ccccc1NC(=O)COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC 1874598788 FEDLFFCSMKCRKK-SDNWHVSQSA-N 443.543 5.788 30 10 IKEE C=CCOc1c(OC)ccc(/C=C/C(=O)c2cc(C)c(OC)cc2C)c1Br 1874599716 ADYOXQKHCPSTHA-VQHVLOKHSA-N 431.326 5.544 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)c1 1874605340 XCEKNAGCHYDDNR-MDZDMXLPSA-N 426.871 5.971 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2Cl)cc(OC)c1OCC(=O)N(CC)CC 1874608390 LWEVNGQQKRUNOD-BUHFOSPRSA-N 441.955 5.220 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1 1874611030 YGSYPELHGIETOI-VGOFMYFVSA-N 430.460 5.125 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1cccc2ccccc12 1874623114 MPUPXBZCSGHXRH-GXDHUFHOSA-N 443.886 6.877 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2OC)cc1 1874625505 IGVXITSDBRAPKB-MKMNVTDBSA-N 433.479 5.310 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)OCC(C)C)c(Cl)c2)c(C)c1C 1874626444 FREHYSOINRALLA-RMKNXTFCSA-N 430.928 5.440 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1Cl 1874637175 MIENUXDODFWWDR-YRNVUSSQSA-N 447.745 7.131 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc(Cl)c1OCc1ccccc1 1874637891 XDOQFOCACWFYAD-JXMROGBWSA-N 447.745 7.131 30 10 IKEE CCCCCCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(F)cc1 1874680117 BMBYHYHHCOWISP-XMMPIXPASA-N 437.559 5.724 30 10 IKEE COc1cccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(Cl)c(Cl)c3)c2)c1 1874694961 DLHHLGAIHSEPFU-DHZHZOJOSA-N 427.283 6.117 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(C)cc1 1875094533 XMHLMSGRDFSBPL-UKTHLTGXSA-N 431.444 5.417 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1Cl)c1ccc(F)cc1 1875104980 XSDCNELXAWCUQH-XLUWADSXSA-N 449.692 6.901 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3ccccc3F)c(OC)c2)cc1 1875112628 MMFKSVZDFVQWFB-KPKJPENVSA-N 440.854 5.612 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])c(Cl)c2)cc1 1875114569 WHMWUQQLRNEKGF-WUXMJOGZSA-N 437.835 5.372 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2)c(OC)c1 1875122549 FZCYOSRVDHKCEF-LHHJGKSTSA-N 436.891 5.401 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)CCCOc1ccccc1 1875134316 PCQZXKZXMIMLGP-NTCAYCPXSA-N 444.527 5.973 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1ccccc1OC 1875145278 JOBXITMXQHJXPX-ACCUITESSA-N 446.499 5.526 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc(OC)c1OC(=O)CC(C)C 1875147997 WNMQEEAZNGSGOD-VQHVLOKHSA-N 436.504 5.043 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)cc2F)c(Cl)c1)c1ccc2c(c1)OCO2 1875149991 RYYJSVMVXQDZGG-LZCJLJQNSA-N 442.801 5.462 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1cccc(F)c1 1875150300 GIYJOPHFYKQLJM-RIYZIHGNSA-N 432.491 6.247 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)Cc1ccc(F)cc1 1875158001 ZXFHXXMLIUMMQH-LFYBBSHMSA-N 438.426 5.026 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1 1875169395 KKWPQITXEYCSOX-RVDMUPIBSA-N 444.527 5.755 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc([N+](=O)[O-])c1OC(=O)c1ccccc1 1875174907 OVEKFOBMQXUSJN-ACCUITESSA-N 445.471 5.726 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(C)=O)c(Br)c2)c(OCC)c1 1875177889 WSVHOCJVBBYXCX-UXBLZVDNSA-N 433.298 5.068 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)c1cccs1 1875185718 LEYNAKIQOVWYDR-FMIVXFBMSA-N 434.557 6.478 30 10 IKEE O=C(Cc1ccccc1)Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1Cl 1875189387 NZNSHYWOLGPNNO-UXBLZVDNSA-N 445.729 6.691 30 10 IKEE CC(C)CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc21 1891331512 RKNNXXKTXWTLCN-GOSISDBHSA-N 433.552 5.364 30 10 IKEE C=C(C)CN(Cc1ccccc1)C(=O)c1cc(Br)sc1Br 1914553052 XXWCSHXWHACCPO-UHFFFAOYSA-N 429.177 5.492 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@H](NC(=O)OC(C)(C)C)C1CCCC1)NCCC 1922118925 LFCRQKJQCNTHJA-ZEQRLZLVSA-N 430.633 5.601 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCC[C@H]1CNC(=O)OC(C)(C)C 1944588089 IKRYMOIOFHPMJD-MHECFPHRSA-N 429.561 5.324 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 1944736437 NKHDNYMAWHNSTH-OALUTQOASA-N 433.524 5.249 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@@]1(C#N)CC(C)(C)[C@@H]1OCc1ccccc1 1950402593 QIAFTDWVKRJHJG-SQJMNOBHSA-N 440.971 6.359 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](N)c2ccc(Br)c(Cl)c2F)C1 2063052175 QKFRGMAUPSDYIG-HNNXBMFYSA-N 433.749 5.103 30 10 IKEE CC(C)c1nn([C@@H](c2ccc(C(F)(F)F)cc2)C(C)C)c(Br)c1C=NO 2079847246 PQWWCUGNYCEJIN-MRXNPFEDSA-N 432.284 5.841 30 10 IKEE CC[C@@H](c1ccc(C2CCC2)cc1)n1nc(C2CCC2)c(C#N)c1I 2079951844 ZDOZIEWFNHOHBM-IBGZPJMESA-N 445.348 5.894 30 10 IKEE CC(C)(C)[C@H](c1ccc(C2CCC2)cc1)n1nc(C2CCC2)c(C#N)c1Br 2079953083 RPUFCGYSCLKAHU-NRFANRHFSA-N 426.402 6.688 30 10 IKEE CC(C)[C@@H](c1ccc(C2CCC2)cc1)n1nc(C2(C)CC2)c(C=NO)c1Br 2079980991 MDZNDGCBVWPYEY-IBGZPJMESA-N 430.390 6.018 30 10 IKEE Cc1ccc(F)c(-c2cc(Cl)n3nc(C4CCCCC4)c(C#N)c3n2)c1Br 2081163847 OVPHHLIGZUSPMQ-UHFFFAOYSA-N 447.739 6.179 30 10 IKEE CCCC#CC[C@@H](NCCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2083436225 HVAZXCFXXHFNSA-SHQCIBLASA-N 442.644 5.392 30 10 IKEE Cc1cc(OCc2ccccc2)ccc1NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2094848723 GFSWKMKHRGXDFZ-UHFFFAOYSA-N 429.369 5.485 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)c(Br)c1F)NCCC 2126700914 SCOHDCAXZCVBHV-CABCVRRESA-N 449.792 5.232 30 10 IKEE C[C@@H]1CCC[C@]2(CSC(=NCc3scc(Br)c3Br)N2)C1 2150563598 QZDMMYYAEKFZLQ-YMTOWFKASA-N 438.254 5.414 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(Br)ccc1C 2154789789 MKHZZUKIUGFTAO-SFHVURJKSA-N 431.330 5.773 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]2CC[C@]21CNc1ccc(C#N)c(Br)c1F 2162326462 HJMWWXWTGRFGOG-XOBRGWDASA-N 438.341 5.051 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)[C@@H]1C[C@@H]1C1CCOCC1 2200290300 CINLWTSECSKIBF-GPMSIDNRSA-N 435.362 5.145 30 10 IKEE O[C@H](C#Cc1ccccc1Br)c1cccc(Br)c1Br 2227485054 NBMVJSRDIIACQY-CQSZACIVSA-N 444.948 5.059 30 10 IKEE CC1(C)OB(c2cc(C(=O)N(Cc3ccccc3)CC3CCC3)sc2Cl)OC1(C)C 2247923038 RMDGHRJUGFTVEG-UHFFFAOYSA-N 445.821 5.143 30 10 IKEE N[C@@H](C#Cc1cccc(Br)c1)c1cc(Br)ccc1Br 2278792746 DQKSWBHTEOFTPG-HNNXBMFYSA-N 443.964 5.026 30 10 IKEE C=CCCCC[C@@](C)(OCC(=O)O)c1cc(Br)c(Br)s1 2291466668 RHHCVZHNXHEPEU-CQSZACIVSA-N 426.170 5.336 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(O)c3CN3CCCC[C@H]3C)C2=O)c2cc(OC)ccc21 2296598233 MMZUPYWJHZJXHG-QGZVFWFLSA-N 446.547 5.366 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)SC1=S 2297334878 GABUXUQILBDUGP-UHFFFAOYSA-N 441.317 5.549 30 10 IKEE Cc1ccc(CN2c3ccccc3C(=O)C(=CNc3cc(C)cc(C)c3)S2(=O)=O)cc1 2297375419 BMXKBYAZPFGLNT-UHFFFAOYSA-N 432.545 5.098 30 10 IKEE C=CCN1C(=O)C(=Cc2ccccc2OCCCOc2ccc(C)cc2C)SC1=S 2297624769 MIOYXIOVDCVFQY-UHFFFAOYSA-N 439.602 5.539 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2Oc3ccc(C)cc3C2=O)cc1F 2314519130 ABZSZLLRTUETTH-UHFFFAOYSA-N 426.447 5.612 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2)SC(=Nc2ccncc2Cl)N1C1CCCCC1 2314541712 BHXUXQMUBJBVEW-UHFFFAOYSA-N 432.376 6.325 30 10 IKEE Cc1nnc(N=C2SC(=Cc3c(F)cccc3Cl)C(=O)N2c2ccccc2)s1 2314547414 HDEXHOYVTRLETH-UHFFFAOYSA-N 430.917 5.448 30 10 IKEE CCOc1ccc(C=CC(=O)Nc2sc(=S)c3c(c2C#N)CC[C@H](C)C3)cc1OC 2314793782 ZOONFUXTLIGBGI-AWEZNQCLSA-N 440.590 5.533 30 10 IKEE CC(=Cc1ccccc1)C=C1SC(=NN=Cc2ccccc2)N(Cc2ccco2)C1=O 2314819197 VCKJKVIAIPWHTM-UHFFFAOYSA-N 427.529 5.733 30 10 IKEE CCn1cc(C=Nn2cnnc2SCc2ccc(Br)cc2)c2ccccc21 2318571946 WPMILSYCPRIJGM-UHFFFAOYSA-N 440.370 5.190 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)C1(NC(=O)OC(C)(C)C)CCCC1 2318913681 BJNULGGWUIJLQA-LJQANCHMSA-N 445.560 5.166 30 10 IKEE CCOc1cc(C=Nn2cnnc2SC)ccc1OCc1c(Cl)cccc1Cl 2321202198 MKQRFGQQIDTHOX-UHFFFAOYSA-N 437.352 5.167 30 10 IKEE COc1ccccc1CN1COc2cc(C)c3c(c2C1)OC(=Cc1ccccc1C)C3=O 2321993914 SDZPHORPRQGQCY-UHFFFAOYSA-N 427.500 5.280 30 10 IKEE Cc1ccccc1OCCCc1nnc(S)n1N=Cc1cccc(Oc2ccccc2)c1 2322170856 OPSMMKVCXFDTIA-UHFFFAOYSA-N 444.560 5.561 30 10 IKEE COCCCN1COc2c(cc3c(c2C)OC(=Cc2ccc(Cl)cc2Cl)C3=O)C1 2322328705 MGQIEHONVFAFAA-UHFFFAOYSA-N 434.319 5.106 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCc2ccccc2Cl)cc1 2322356842 UVWVNJFBEZXKDZ-UHFFFAOYSA-N 441.354 7.040 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCCc1ccccc1)c1ccc(Cl)c(Cl)c1 2322585624 IOBUPPPLQYKFLT-UHFFFAOYSA-N 431.746 7.164 30 10 IKEE Cc1cc(OC(=O)Cc2cccs2)cc2c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O2 2322868686 YFKXERXBGXIDQQ-UHFFFAOYSA-N 432.541 6.118 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(Cl)cc2C=CC(=O)c2ccc(C)c(C)c2)cc1 2322899754 DDRKQLVPYHEWSJ-UHFFFAOYSA-N 433.935 6.179 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cc(Br)ccc2OCc2ccccc2C)c(C)c1 2322948439 APBOGEROXATLTR-UHFFFAOYSA-N 449.388 7.158 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2c(OCC(=O)Nc3ccccc3)ccc3ccccc23)c(C)c1 2322948641 QNQAOBYPLVKBTJ-UHFFFAOYSA-N 449.550 6.679 30 10 IKEE CCOc1c(OC)ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)c1Br 2323149671 DMDQOQXMVJUSKR-UHFFFAOYSA-N 430.125 6.059 30 10 IKEE CCCCCCCCCOc1ccc(C=NNc2cnn(C)c(=O)c2Cl)cc1Cl 2323222888 CSNVOHWJWBRLSD-UHFFFAOYSA-N 439.387 5.663 30 10 IKEE Cc1ccccc1NC(=O)COc1cccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)c1 2323259629 JPMHRLHUQJNUJO-UHFFFAOYSA-N 427.544 6.142 30 10 IKEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 2323465258 BTEIOPIXMFPCPY-AREMUKBSSA-N 442.600 5.089 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(=O)C=Cc4ccc(C(C)C)cc4)ccc3C2=O)c1 2323503224 ZEYRUPJHZGHCFT-UHFFFAOYSA-N 440.495 6.054 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2ccc(OC)cc2)cc1Cl 2323628447 JTGRUIZPLGDVFZ-UHFFFAOYSA-N 449.934 5.825 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 2323802720 DYMXWZONGDSFPI-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)c1 2323854333 MHKLLZOGYGYMTG-UHFFFAOYSA-N 432.859 5.740 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCc3cccc(F)c3)c(Br)c2)c(C)c1 2323858014 RGJWVETWCAEDEO-UHFFFAOYSA-N 439.324 6.680 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OCC(=O)OCC(C)C 2324151969 LMPXHRBIEOMEAQ-UHFFFAOYSA-N 444.955 5.946 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OCC(=O)Nc2ccccc2F)cc1 2324358738 ZJXWUOHBFVJVRM-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)C=Cc2ccc(Cl)cc2)n1 2324794860 XVBRZSGPVUVHBW-NRFANRHFSA-N 434.992 6.959 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O 2325005104 DLHCQKHOZGYIPB-UHFFFAOYSA-N 431.463 5.330 30 10 IKEE Cc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)c2)c(C)c1 2325722276 RTTYINBELHECJS-UHFFFAOYSA-N 431.444 5.092 30 10 IKEE COc1ccccc1NC(=O)COc1ccc2c(c1C)OC(=CC=Cc1ccccc1)C2=O 2325736367 MUBTZXJWMDVVDV-UHFFFAOYSA-N 441.483 5.194 30 10 IKEE CCCCC1CCC(C(=O)Oc2cccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)c2)CC1 2325756845 JSKNBNLYMUDLPD-UHFFFAOYSA-N 446.631 7.718 30 10 IKEE Cc1ccc(CSc2nnc(CCCOc3ccccc3C)n2N=Cc2ccc[nH]2)cc1 2327051230 VSEYFYDJLMAREA-UHFFFAOYSA-N 445.592 5.409 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2C)n1N=Cc1ccc(CC)cc1 2327086754 NYMFNKRCAFFYCA-UHFFFAOYSA-N 434.609 5.711 30 10 IKEE CSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc(Cl)c(Cl)c1 2328003465 HWEYXNNSCHCJRK-UHFFFAOYSA-N 425.772 5.628 30 10 IKEE CCCCC1CCC(c2nnc(SCC)n2N=Cc2cccc(OCCC)c2)CC1 2328150939 FWIYSOGSDFCRDC-UHFFFAOYSA-N 428.646 6.525 30 10 IKEE CCCCC1CCC(c2nnc(SCCc3ccccc3)n2N=Cc2ccccc2)CC1 2328179133 UGENRJAOSDGRLE-UHFFFAOYSA-N 446.664 6.959 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccc(C)cc3C)n2N=Cc2cccn2C)cc1 2328877412 QJOFONPPBURMHZ-UHFFFAOYSA-N 445.592 5.295 30 10 IKEE Cc1ccccc1C=Nn1c(COCc2ccccc2)nnc1SCc1ccccc1 2329339490 NEMMNNSHZKMWSN-UHFFFAOYSA-N 428.561 5.478 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(F)c3)n2N=Cc2cccc(F)c2)cc1C 2329405431 BUKHYHNKBAURPO-UHFFFAOYSA-N 448.542 5.938 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2)n1N=Cc1ccccc1Cl 2330109099 DUIMLRMOQNRLDM-SFHVURJKSA-N 432.980 6.258 30 10 IKEE Fc1ccc(CSc2nnc(CC3CCCCC3)n2N=Cc2ccccc2Cl)cc1 2330234561 WJZPQHSZVKBFGO-UHFFFAOYSA-N 442.991 6.368 30 10 IKEE CCc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2[C@@H]2CCCO2)cc1 2330979720 UFCFAVYVOMNYPW-DEOSSOPVSA-N 442.588 6.020 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CC)c([N+](=O)[O-])c2)cc1OCCC 2331112529 PDCREPQZCKDJCE-UHFFFAOYSA-N 441.480 5.384 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3cccc(Cl)c3)cc2Cl)cc1C 2331122796 LLOVKRBXXFVKHL-UHFFFAOYSA-N 439.338 6.654 30 10 IKEE C[C@@H](Oc1ccc(Cl)cc1)C(=O)Oc1ccc(C=CC(=O)c2ccccc2)cc1Cl 2331165867 MWWPAZVHQDHDBY-MRXNPFEDSA-N 441.310 6.262 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)c1ccc(-n2cccc2)cc1 2331179442 YIZXWVMOWPIKLM-UHFFFAOYSA-N 437.495 5.991 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)CC12CC3CC(CC(C3)C1)C2 2331183828 SBESYAQZBNNESU-UHFFFAOYSA-N 430.544 6.103 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)c1ccc(F)cc1F 2331259425 CGDZHJSDEQOFHM-UHFFFAOYSA-N 442.845 6.051 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1ccccc1OC 2331292895 SOAASQZGEZVCBI-UHFFFAOYSA-N 442.511 5.856 30 10 IKEE COc1cc(C=Nn2c(CC(C)C)nnc2SCc2ccccc2F)cc(Cl)c1O 2331454110 XWCMPEFCGHGYAQ-UHFFFAOYSA-N 448.951 5.158 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)c1ccccc1F 2331510240 MOKKHSXQAJWIQM-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc2)c(C)c1C 2331612581 SGAVHPRGHCGCCB-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)Cc2ccccc2F)cc1 2331752672 WPFVOKKMDBRVDI-UHFFFAOYSA-N 438.882 5.840 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)c3ccccc3)c(Cl)c2)cc1C 2331847601 NTDWPUBEUFQUQO-IBGZPJMESA-N 448.946 6.571 30 10 IKEE O=C(Cc1ccccc1Cl)Oc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1 2331859105 OHHTTXCEBAHDAE-UHFFFAOYSA-N 445.729 6.691 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)C[C@@H]2CCCC[C@]2(C)C1 2354150374 JNJZTAFURVSZHY-USCONSEESA-N 433.390 6.443 30 10 IKEE Cc1cccc(C)c1NC(=S)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 3041831 KBYIGUXRQPRDHZ-QYQHSDTDSA-N 448.979 5.194 30 10 IKEE CC(C)(C)c1ccc(C(=O)/N=C2/c3ccccc3CN2c2cc(Cl)cc(Cl)c2)cc1 12588548 IWBZSSOVTIUCHP-NFFVHWSESA-N 437.370 6.898 30 10 IKEE COc1cc(/C=C2\CCc3ccccc3C2=O)ccc1OCc1cccc(C(F)(F)F)c1 15979679 FWQHOVANYAPTLV-DEDYPNTBSA-N 438.445 6.506 30 10 IKEE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccncc1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 18199734 BSZSZVHMRDROBO-KOSHJBKYSA-N 438.556 5.595 30 10 IKEE O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1cccc3ccccc13)n1c(nc3ccccc31)N2 19646334 DWZYNPOFZHVLRK-DNOBIOAJSA-N 447.563 6.667 30 10 IKEE CCCOc1ccc(C(=O)/C(=C\c2ccc(OCC)cc2)c2nc3ccccc3o2)cc1 33618820 JHLIWRAMKDOLTA-PTGBLXJZSA-N 427.500 6.439 30 10 IKEE C/C(=C1/S/C(=N/c2cccnc2Cl)N(c2ccccc2)C1=O)c1ccc(Cl)cc1 39864080 WWFJGRCBQXPHME-DNSQYUDISA-N 440.355 6.587 30 10 IKEE COc1ccc(/C=C2\S/C(=N/c3ccncc3Cl)N(C3CCCCC3)C2=O)cc1 39864578 PEAUWXIYDOSCFI-HCNWTGQWSA-N 427.957 5.680 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(F)cc1)C3=O)CN(CCCc1ccccc1)CO2 41586761 FBGCPZAHNPTOHV-OYKKKHCWSA-N 429.491 5.535 30 10 IKEE Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)COc1ccccc1 59240525 VQLUBQKFDJUPRS-HXUWFJFHSA-N 425.315 5.975 30 10 IKEE C/C(=N\OCc1cccc(F)c1)c1cc(-c2ccc(F)cc2)n(-c2cccc(C)c2)c1C 97629506 OJOHSUKQPKSHQM-NDZAJKAJSA-N 430.498 6.980 30 10 IKEE CCCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccc(C)c(C)c1 100461789 WMBUEJIYOAWMLX-UHFFFAOYSA-N 443.760 10.064 30 10 IKEE CCCCCCC[C@](O)(c1ccc(OCC)cc1)[C@H](CN1CCOCC1)c1ccccc1 101662259 BDHOAVLJCSZZQQ-IZLXSDGUSA-N 439.640 5.749 30 10 IKEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 102706630 DHLXSACORIPVNB-VFJWVMJUSA-N 430.504 5.215 30 10 IKEE CCn1cc(/C=C2\Oc3c(ccc(OC(=O)c4cccs4)c3C)C2=O)c2ccccc21 102734514 XEGLHOMLADYVKA-BKUYFWCQSA-N 429.497 5.867 30 10 IKEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccc(F)cc2)cc1 103089955 CGUGPNGMUCWTCC-SADKCHQCSA-N 444.487 5.370 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 169925411 JXGFCIYDBXGRDX-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc(F)c(C)c2)=C(O)C(=O)N1c1cccc(F)c1 169940133 BYJABNWKVYXTCZ-QFIPXVFZSA-N 435.426 5.065 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2cccnc2)cc1 170002787 PPMSNHLBZZVTFV-DEOSSOPVSA-N 442.515 5.387 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2ccncc2)cc1 170025496 XQGGSSAQGCKJFD-DEOSSOPVSA-N 426.516 5.039 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@@H]2c2ccccc2F)cc1C 170072744 OAOWBMRCNPBPAF-JOCHJYFZSA-N 441.462 5.102 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@H]2c2ccco2)c1 170090742 WEPBXLRLDAKFGX-QHCPKHFHSA-N 429.516 5.977 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1ccc(O)cc1 170133380 IXWJKQUMTSFCEN-QHCPKHFHSA-N 443.499 5.109 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@@H]1c1cccc(C)c1 170146641 CYKRLNHUKLYFIV-FQEVSTJZSA-N 442.353 5.444 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccs2)cc1C 170154496 YRTYOEUZBZTFRF-HXUWFJFHSA-N 439.558 5.214 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1cccs1 170155157 FYRRFMGJYIPHDR-IBGZPJMESA-N 445.924 5.151 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@@H]2c2ccccn2)cc1 170174441 OXPIWGWUWJWWJQ-DEOSSOPVSA-N 442.515 5.269 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2cccnc2)cc1 170188569 NJBFJIVWUNUVBC-JOCHJYFZSA-N 448.906 5.305 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccccc2)c1 170225412 WARCHGKZUNHMEV-DEOSSOPVSA-N 427.500 5.485 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2OC)[C@H]1c1ccc(Cl)cc1 170236631 CIXPYPNYLMGXKI-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(C(C)C)cc1 170245862 XQYMZZYQUCXUDF-QFIPXVFZSA-N 436.508 5.487 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(CC)cc2)cc1C 170265555 AYQRKZUCSSRHBZ-VWLOTQADSA-N 441.527 5.739 30 10 IKEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccco2)cc1 170279349 WMXGPFMPQUQSKP-XMMPIXPASA-N 442.515 5.007 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC(C)C)cc3)[C@H]2c2ccco2)cc1 170283357 WAMJQDCQPZXTTC-XMMPIXPASA-N 445.515 5.660 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@@H]2c2ccco2)c(C)c1 170287154 MUMGDDMKVZDAQN-XMMPIXPASA-N 439.467 5.533 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(F)c(F)c2)o1 170299366 RVSTYNQMPLJYKI-LJQANCHMSA-N 429.806 5.303 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccc(C)o1 170303194 PRJSEOFRARCHHT-NRFANRHFSA-N 437.879 5.341 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2sccc2C)ccc1Cl 170316206 OMKSXAQHUXNEGF-GOSISDBHSA-N 443.908 5.090 30 10 IKEE CCCCOc1ccc(/C=C2/S/C(=N/c3nc(C)cs3)N(CC)C2=O)cc1OC 210453887 FFGGVRDYENMPQT-WNEPPRNQSA-N 431.583 5.263 30 10 IKEE C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C/c1ccc(C(F)(F)F)cc1)C2=O 253575071 UELTYJDTQILMTO-KPTWEWATSA-N 446.553 6.671 30 10 IKEE CCCCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)SC1=Nc1ccccc1C 254839021 RSWJBZHXCCEBMG-JSYGVCDLSA-N 439.606 5.778 30 10 IKEE Cc1ccc([C@@H]2C(c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526514476 CBIJZNZAEGBLOF-AREMUKBSSA-N 438.527 5.959 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2sccc2C)c1OC 526519391 CFXJBJMKMCXCMU-HXUWFJFHSA-N 432.501 5.003 30 10 IKEE Cc1ccc([C@@H]2C(c3cccc(OCC(C)C)c3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526605511 RAMDEUHROXLLDS-AREMUKBSSA-N 438.527 5.959 30 10 IKEE Cc1cccc(N2C(=O)C(Nc3ccccc3C#N)=C(Sc3ccccc3)C2=O)c1C 526657146 JAKXFIAVRHAMPR-UHFFFAOYSA-N 425.513 5.164 30 10 IKEE Cc1cccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(Sc3ccc(Cl)cc3)C2=O)c1 526664092 NNNZUKGNRDVSGL-UHFFFAOYSA-N 445.931 5.509 30 10 IKEE CCCOc1ccc(/C=N\n2c(CC)nnc2SCc2cc(C)ccc2C)cc1OC 526818400 HFUHFJIQBKRFAF-MYYYXRDXSA-N 438.597 5.429 30 10 IKEE CCCCCCCCCCCCCCCCCCOCCOC(=O)N[C@@H](CO)CCC 585665920 OOWUEHSYTNCTEF-RUZDIDTESA-N 443.713 7.152 30 10 IKEE COc1ccc(C)cc1S(=O)(=O)N(Cc1cccc(C#N)c1)c1cccc2ccccc12 586245960 QCIJPVLVJWRORY-UHFFFAOYSA-N 442.540 5.424 30 10 IKEE N#Cc1ccccc1NC(=O)c1ccc(NC(=O)NC(c2ccccc2)c2ccccc2)cc1 586617761 SZBHDXZDUNCHPV-UHFFFAOYSA-N 446.510 5.722 30 10 IKEE CC(C)(C)OC(=O)N1CC([C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 686265032 WSRCGSBDVLTSTH-JOCHJYFZSA-N 435.952 5.231 30 10 IKEE Cc1ccc2c(c1)[C@](C#N)(N(C(=O)OC(C)(C)C)c1cccc(Br)c1)CC2 698455496 CQBCGYLKSXLNJK-QFIPXVFZSA-N 427.342 5.864 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 699658841 KNTNUUQAGBWCJF-CLOONOSVSA-N 443.588 5.666 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2ccc(C)c(Br)c2)c1 710816246 JMXOULUVKLYOMC-IBGZPJMESA-N 431.330 5.773 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@H](C#N)c1sccc1Br 710819575 ICBDPUDWGDANQE-CQSZACIVSA-N 427.751 6.170 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 724079763 RUJDPJXEUHKLDZ-MHECFPHRSA-N 435.609 5.533 30 10 IKEE N#Cc1cn(C(=O)/C=C\c2ccc(-c3ccc(Br)cc3F)o2)c2ccccc12 1083994995 BPARZODUMNYZKB-YFHOEESVSA-N 435.252 6.028 30 10 IKEE CC[C@@H](C)Cc1c(C)sc2nc(S[C@H](C)C(=O)Nc3cccc(C#N)c3)nc(O)c12 1458893150 BAIZCULUOIJMIS-TZMCWYRMSA-N 440.594 5.285 30 10 IKEE COc1ccc(/C=N/NC2=N[C@@H](c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)[CH]S2)cc1 1615012210 BCWIMKRIGVSCDW-ODDBZWQPSA-N 438.617 5.925 30 10 IKEE C[C@@H]1C/C(=N/c2ccc(C(C)(C)C)cc2)c2cc(F)ccc2N1C(=O)c1ccc(F)cc1 1615949668 OUNTWIXPNOWGOJ-PPUGZXKBSA-N 432.514 6.822 30 10 IKEE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccccc1C(F)(F)F)C(=O)C2=NNc1ccccc1 1772722334 OVZWNOBDMPDARF-PKTZIBPZSA-N 443.469 5.507 30 10 IKEE O=C1/C(=C\c2ccc(Cl)cc2)SC(=Nc2ccncc2Cl)N1C1CCCCC1 1772733856 BHXUXQMUBJBVEW-KHCNQNERSA-N 432.376 6.325 30 10 IKEE CCOc1ccc(/C=C2\SC(=Nc3nnc(C)s3)N(C3CCCCC3)C2=O)cc1 1772738671 QHYDOJCAMOPBHD-AHDBMNBVSA-N 428.583 5.182 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 1861026904 QHDSADUTXZOXLQ-QHCPKHFHSA-N 439.556 5.323 30 10 IKEE CCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)c1ccc(OCCCCCC)cc1 1861526602 SCVCCTUDMTYJKX-AREMUKBSSA-N 432.649 6.021 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 1862398904 YOFJKHKSNJKXJR-GAJHUEQPSA-N 449.547 5.193 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(O)cc1 1862430411 JSKDEHLYBLSXGV-VGSWGCGISA-N 441.955 5.983 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccc(Cl)c2)cc1 1862474289 MHSYRNSWXNFAOS-XMMPIXPASA-N 445.946 5.989 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OCc2ccccc2)cc1 1862483745 HACJOIMFMDEODD-XMMPIXPASA-N 427.500 5.172 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2cccc(Cl)c2)ccc1F 1862503086 PFYXQKFWBXXQEH-HSZRJFAPSA-N 449.909 5.609 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccccc2F)cc1 1862530002 MGYREGPUWFZEAI-HSZRJFAPSA-N 433.454 5.306 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2cccc(C)c2)cc1F 1862638654 GYBJNGMPEGKYMR-AYPBNUJASA-N 437.511 5.300 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)c1 1862664262 XYMWMIKNVULVCB-FMNCTDSISA-N 447.575 5.976 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(O)c(OCC)c1 1862669430 WAXMISPCDTURIE-HSZRJFAPSA-N 437.536 5.293 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 1862683068 NTLNUVBPLMOGKH-IBGZPJMESA-N 434.294 5.653 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862702272 AIRUWHRDFWAXND-AVRWGWEMSA-N 441.527 5.597 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)cc1 1862713117 HMLVCRHOFGPQBK-YZXAJQSBSA-N 439.555 6.305 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCC(C)C)cc1 1862715920 UFXSRCGUAOBFQW-RUZDIDTESA-N 427.544 6.027 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2[C@@H](C)CC)ccc1O 1862716246 BYOIHXUJZFAWLN-UPCLLVRISA-N 445.515 5.321 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cccc(Cl)c1 1862741157 MBIVWNPXWYERKN-LJQANCHMSA-N 428.872 5.017 30 10 IKEE CCc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3cccc4ccccc34)C2=O)cc1 1862843027 SSGIJCDIDXWTMD-UHFFFAOYSA-N 443.506 5.670 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(F)c(Cl)c3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1C 1862879628 YBGCNPQZOCSQHN-UHFFFAOYSA-N 445.881 5.364 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(F)cc3Cl)C(=O)N(c3ccccc3C#N)C2=O)cc1C 1862885249 OUKHOJRGZWJRBF-UHFFFAOYSA-N 445.881 5.364 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)C(c2ccccc2)c2ccccc2)c1 1865867773 DPKYVXSVMWUDFE-UHFFFAOYSA-N 430.507 5.868 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] 1866030108 ZKYJJIVXHANARK-UHFFFAOYSA-N 434.621 7.803 30 10 IKEE CCc1nc(Nc2ccc(C#N)cc2)cc(N2CCC(Oc3cccc(Cl)c3)CC2)n1 1868291140 INMYDJOKYPPTDF-UHFFFAOYSA-N 433.943 5.355 30 10 IKEE CC(C)(C)c1nc(Nc2ccccc2C#N)cc(N2CCC[C@@H]2Cc2ccc(Cl)cc2)n1 1868351218 SSCRTDZYBUNRLF-OAQYLSRUSA-N 445.998 6.254 30 10 IKEE N#Cc1cccc(Nc2cc(N3CCC[C@H](Oc4ccccc4)C3)nc(-c3ccccc3)n2)c1 1868354812 NXOIRYWFLCXFDW-VWLOTQADSA-N 447.542 5.807 30 10 IKEE N#Cc1ccc(Nc2cc(N3CCC[C@H](Oc4ccccc4)C3)nc(-c3ccccc3)n2)cc1 1868376048 GREZIMIQQDXEIY-VWLOTQADSA-N 447.542 5.807 30 10 IKEE CC(C)c1ccc(Cn2nnc(C#N)c2NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 1870106271 GHRWTEMZFCZXQO-XNTDXEJSSA-N 427.552 5.271 30 10 IKEE Cc1nc(SCc2cc(=O)c(OCc3ccccc3)cn2CC(C)C)c(C#N)c(C)c1C 1870270683 ZIFKXDRTUXWPPK-UHFFFAOYSA-N 447.604 5.568 30 10 IKEE CCCCCCCCCCn1cc(OCCCCCCC)c(=O)cc1CN(C)CCO 1870411661 IZDRMELBLLRVSM-UHFFFAOYSA-N 436.681 5.762 30 10 IKEE C=CCOc1cn(CCCCCCCCCC)c(CNc2ccc(F)c(F)c2)cc1=O 1870813025 SHUFBHIUSMECSE-UHFFFAOYSA-N 432.555 6.444 30 10 IKEE CCCCCCCCn1cc(OCCc2ccccc2)c(=O)cc1CNc1ccccc1C 1871142576 APIUWHYKHLMURB-UHFFFAOYSA-N 446.635 6.751 30 10 IKEE CCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1cccc(C)c1C 1871253594 CBQCBSXUYUCZOR-UHFFFAOYSA-N 429.564 5.718 30 10 IKEE Cc1ccc(Cn2cc(OCc3ccc(C#N)cc3)c(=O)cc2CNc2cccc(C)c2)cc1 1871255015 PVYFJAPOSZQJPE-UHFFFAOYSA-N 449.554 5.576 30 10 IKEE CCCCCCCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OC)cc1 1871313700 GJFYQWBOVOMGGX-UHFFFAOYSA-N 428.580 6.869 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccco1)C3=O)CN(Cc1cccc(C(F)(F)F)c1)CO2 1871350166 NVYKEJXEMSTIFF-JMIUGGIZSA-N 441.405 5.575 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1cccc(F)c1)C3=O)CN(Cc1cccc(Cl)c1)CO2 1871355359 GMMLRZUSDJOEQL-YVNNLAQVSA-N 435.882 5.756 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OC(=O)CCCOc4ccccc4)c3C)C2=O)c1 1871371470 RHMOBVSEGYOBEL-ULJHMMPZSA-N 428.484 5.684 30 10 IKEE Cc1c(OC(=O)c2ccc(C(F)(F)F)cc2)ccc2c1O/C(=C\c1cccs1)C2=O 1871375774 CIGQVLSNWFRAAA-WQRHYEAKSA-N 430.403 5.911 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2Cl)Oc2cc(OCCOc3ccccc3)ccc21 1871398356 FIMAKMUJQZITTI-UUYOSTAYSA-N 427.283 6.067 30 10 IKEE COC(=O)c1ccc(COc2cc(C)c3c(c2)O/C(=C\c2c(F)cccc2Cl)C3=O)o1 1871438747 PNQMSMOUBBPPNF-JMIUGGIZSA-N 442.826 5.362 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(F)c(Cl)c2)cc2c1C(=O)/C(=C/c1ccccc1)O2 1871441390 LZLWAKHFYBMWEQ-FBHDLOMBSA-N 437.854 5.421 30 10 IKEE C=C(C)CN([C@H](C)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1cc(C)ccc1C 1872212745 HWLBGHDJAZCSLL-HXUWFJFHSA-N 442.625 5.195 30 10 IKEE COc1ccc(C)cc1-c1csc([C@H](C#N)C(=O)COc2cc(C)c(Cl)c(C)c2)n1 1872771161 NLNSKIVQMRRNCW-GOSISDBHSA-N 440.952 5.653 30 10 IKEE CC(=O)Nc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1 1872778824 VMPRPMGQVQUKEF-OAQYLSRUSA-N 431.561 5.421 30 10 IKEE COc1ccc(OC)c(NC(=O)c2ccc(CSc3nc(C)c(C)c(C)c3C#N)cc2)c1 1872895129 DHECDFUWNKKVGV-UHFFFAOYSA-N 447.560 5.440 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2[C@H](C)CC)=C(c2cccnc2)C1=O 1873269515 UOTZHYUQARGXJP-HXUWFJFHSA-N 433.596 6.148 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc([N+](=O)[O-])c2)=C(c2ccc(F)cc2)C1=O 1873352535 HNVOVKSXBYDHQT-UHFFFAOYSA-N 439.487 5.286 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C(C)C)cc2)cc2c(NCc3ccc(O)cc3)ncnc21 1873641487 VPEIIYARLLBLKY-UHFFFAOYSA-N 441.535 5.311 30 10 IKEE CCCCCCCCNC(=O)[C@@H]1c2ccccc2C(=O)N(CCCC)C12CCCCC2 1873886469 WPYZJTJSQZCERY-DEOSSOPVSA-N 426.645 6.206 30 10 IKEE Cc1ccccc1OCCCc1nnc(SCc2ccccc2)n1/N=C/c1ccncc1 1874249833 NCZMTBUCPNFQQK-OVVQPSECSA-N 443.576 5.168 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccc(Cl)cc3)n2/N=C/c2ccco2)cc1 1874262726 NPFVVKFHMDCTFN-ZMOGYAJESA-N 438.940 5.586 30 10 IKEE C=CCSc1nnc(COc2c(C)cccc2C)n1/N=C/c1ccccc1OCCC 1874299967 BPYZLCMOPDYWCM-PCLIKHOPSA-N 436.581 5.423 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2ccccc2)n1/N=C/c1ccccn1 1874300824 UZRVSNYUXKGBCP-CVKSISIWSA-N 429.549 5.043 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3F)n2/N=C/c2ccco2)cc1C 1874330649 XCNWZIRXGDQEKE-CVKSISIWSA-N 434.540 5.587 30 10 IKEE Cc1ccccc1/C=N/n1c(COCc2ccccc2)nnc1SCc1ccccc1C 1874353241 ZDASXTYHZNNIGO-JVWAILMASA-N 442.588 5.786 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccccc3Cl)n2/N=C/c2cccc(O)c2)c1 1874365959 DNCTXJYJKBMOSD-AFUMVMLFSA-N 434.952 5.787 30 10 IKEE C(=N/n1c(CCc2cccs2)nnc1SCc1cccc2ccccc12)\c1ccc[nH]1 1874372301 RPGQVIQQMYEXFE-WGOQTCKBSA-N 443.601 5.781 30 10 IKEE Cc1ccccc1CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1ccccc1Cl 1874392924 YNBHCDMZHVSOBU-BWJYWGHISA-N 447.007 6.566 30 10 IKEE Cc1ccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccc(C(C)C)cc2)cc1 1874405397 WGJOAEAYQXDOSB-MTDXEUNCSA-N 446.664 7.007 30 10 IKEE Clc1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2ccncc2)cc1Cl 1874424380 IHXQJQZFTNPLEU-FOKLQQMPSA-N 446.388 5.883 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@H]3CCCO3)n2/N=C/c2ccccc2Cl)c1 1874445220 BMGWDILRBIKROT-FINLKQIMSA-N 426.973 5.574 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCCC3)n2/N=C/c2ccc(F)cc2F)c1 1874456009 WGWWWBGPKABNLR-LGJNPRDNSA-N 426.536 6.005 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2)nnc1C(C)C 1874514621 CKTBKZRCYWRCHL-ZVHZXABRSA-N 428.989 6.018 30 10 IKEE Cc1ccc(COc2ccc(/C=N/n3c(S)nnc3Cc3ccccc3F)cc2)cc1 1874561989 VJKLWLGCSZLMEJ-CVKSISIWSA-N 432.524 5.066 30 10 IKEE CCOC(=O)c1ccc(COc2c(/C=C/C(=O)c3ccc(CC)cc3)cccc2OC)o1 1874572338 IFXDLDIHRQRNNH-FYWRMAATSA-N 434.488 5.502 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)cc2C)cc1 1874573011 QHQMAZLBASRXOE-JLHYYAGUSA-N 447.962 6.433 30 10 IKEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1cccc(Cl)c1)Nc1ccccc1 1874577532 SQESVMMDCXZTGZ-PKNBQFBNSA-N 426.299 5.907 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1OCCc1ccccc1 1874579263 FPKNKBVBRDBMSX-ACCUITESSA-N 427.327 6.520 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(F)c(C)c2)cc1 1874581523 RIUUDEQQYPZQRC-IZZDOVSWSA-N 437.898 6.010 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(OC)c1OCc1cccc(C)c1 1874603397 PPMXFDOAHBVWDQ-DTQAZKPQSA-N 448.562 7.360 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc([N+](=O)[O-])c1OCc1ccccc1 1874621433 WGMXSXYINBFFCY-CSKARUKUSA-N 447.443 5.197 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(OC)c(Cl)c3)cc2)o1 1874636130 LAJRUMDPSKGGRM-IZZDOVSWSA-N 440.879 5.593 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccccc3Cl)c2)cc1OC 1874694220 RZLOGQRMKZRIDY-ZRDIBKRKSA-N 436.891 5.401 30 10 IKEE CCc1ccc(CCC(=O)Oc2cc(/C=C/C(=O)c3cccc(OC)c3)ccc2OC)cc1 1874694426 CBRWRVIQEGOZGN-NTCAYCPXSA-N 444.527 5.701 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3ccccc3OCC)c2)cc1 1874701363 PGLVPCZKLKLEHH-SFQUDFHCSA-N 446.499 5.365 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OC(=O)Cc1ccc(F)c(C)c1 1874708307 WDGITMSTKINTRB-AWNIVKPZSA-N 446.518 6.310 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)c(C)c3)c(OC)c2)cc1 1875101384 NDONLUULXUQCGL-GXDHUFHOSA-N 428.528 5.919 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3ccccc3C)cc2)c1 1875102417 GSICTEZLULJECT-SAPNQHFASA-N 430.500 5.664 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(Cl)c3)c([N+](=O)[O-])c2)cc1 1875114410 SOFANKKRZOZCGH-VZUCSPMQSA-N 437.835 5.372 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC(=O)Cc1ccc(Cl)cc1 1875121679 CEKNYNFIEWMJSD-YRNVUSSQSA-N 441.310 6.046 30 10 IKEE CCOc1ccc(C(=O)Oc2c(OC)cc(/C=C/C(=O)c3ccc(C)cc3)cc2OC)cc1 1875133420 UGROQFKGGQJCGE-OVCLIPMQSA-N 446.499 5.526 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)c1ccc(Cl)cc1 1875157899 UHUOMSQGBXWWNL-KGVSQERTSA-N 440.854 5.612 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccco3)c(Cl)c2)cc1C(C)C 1875162620 IMDULBZFMPIIDH-VQHVLOKHSA-N 438.907 6.489 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3)c(Cl)c2)c1C 1875168579 KMSRTJIHGVPFTJ-JLHYYAGUSA-N 446.974 7.008 30 10 IKEE Cc1ccccc1CCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1 1875184607 IHADRAUSOHBYML-QGOAFFKASA-N 440.583 7.035 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3ccco3)c(OC)c2)cc1Cl 1875186809 COZYDTUTVGDULV-SOFGYWHQSA-N 442.851 5.074 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(OCCCCC)cc3)ccc21 1891512708 OVYMHJOVDLLRAA-UHFFFAOYSA-N 436.552 5.446 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1csc([C@@H](C)NC(=O)OC(C)(C)C)n1 1922079899 JNFCOOCQODDSJO-YLJYHZDGSA-N 431.602 5.152 30 10 IKEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1 1945821406 JPTFFHWQMGGFFQ-UYAOXDASSA-N 431.577 5.507 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCC[C@@]12CCN(C(=O)OC(C)(C)C)C2 1950304934 IIRVWFWEWKZYFD-GKVQRAMASA-N 435.609 5.486 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)C1(CCNC(=O)OC(C)(C)C)CCCCC1 1999578960 QBJSXQRCGBLJNX-QHCPKHFHSA-N 430.633 5.603 30 10 IKEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](N(CCNC(=O)OC(C)(C)C)Cc2ccccc2)C1 2006128865 LJSZJGZCNMKGHZ-ZRBLBEILSA-N 427.633 5.758 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)C2(C#N)C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc1 2033849213 WPPOLTZLXKLFPU-VKSRLUHHSA-N 431.580 5.826 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)C2(CC2)C1 2037543526 XHTILOBKXMLXQV-VWLOTQADSA-N 441.572 5.562 30 10 IKEE COc1cc(C=C(C(=O)c2ccc(C)cc2)c2nc3ccccc3o2)cc(OC)c1OC 2040515972 PSXOOMWRYCCWLC-UHFFFAOYSA-N 429.472 5.586 30 10 IKEE CCOc1ccc(C=C2SC(=Nc3cccc(C)c3)N(CCCSC)C2=O)cc1 2053622839 RAZKWSMPVZRHGS-UHFFFAOYSA-N 426.607 5.751 30 10 IKEE Cc1ccc([C@H](n2nc(C(C)C)c(C#N)c2I)C2(C)CC2)c(C)c1 2079016218 IXPOMXLYTGXSSY-SFHVURJKSA-N 433.337 5.489 30 10 IKEE CCOC(=O)c1c(C(C)C)nn(Cc2cc(F)cc(C(F)(F)F)c2)c1C(F)(F)F 2079087857 SKWUIOSNCKEHSS-UHFFFAOYSA-N 426.332 5.408 30 10 IKEE C=C(C)CN(Cc1ccccc1)c1c(CNCCOC)ccc(Br)c1Cl 2098116340 IIZCGGHYPBRYMB-UHFFFAOYSA-N 437.809 5.421 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)C[C@H]2C[C@H]1CC2(F)F 2101410765 IVTNRDDYBPDCAT-JCGVRSQUSA-N 427.289 5.518 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(C#N)c(Br)c2F)CC1(C)C 2106005230 XGBVXUGONKNPGI-ZDUSSCGKSA-N 426.330 5.050 30 10 IKEE C#CCCCC[C@H](NCCC)c1ccc(I)c(Br)c1 2116845941 VJVXOAURGKXXEE-INIZCTEOSA-N 434.159 5.288 30 10 IKEE CCCCCCCCC[C@@H](N)[C@@H](O)c1cc(Br)c(Br)s1 2148616060 DDPBSSLYSNQZOY-TZMCWYRMSA-N 427.246 5.775 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H](CNc2cc(Br)cc(C#N)c2)C1 2162334368 PPTYWDOVCQUWPD-MRXNPFEDSA-N 434.378 5.160 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCCC)c2ccc(Br)c(F)c2F)C1 2197753498 MYDMFXBAKVLUCN-KRWDZBQOSA-N 445.348 5.382 30 10 IKEE CCCCCC#CC[C@H](NCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2203811519 XGCAWEZOLXWMNB-IBGZPJMESA-N 437.422 6.421 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1sc(C)c(Br)c1C 2218930728 GHPRZLSCEDWQNN-ZBFHGGJFSA-N 431.440 5.638 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)cc1C 2229233730 QLSXBKIHAZWLBX-RBUKOAKNSA-N 425.411 5.658 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)CC[C@H](CC)NC(=O)OC(C)(C)C 2235747890 UMNANYDGPOPHOB-RBUKOAKNSA-N 437.422 5.252 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C(C)C 2246560697 SQCGIUDFYOQYPP-SGNDLWITSA-N 430.633 5.409 30 10 IKEE Cc1cc(C(=O)N(Cc2ccccc2)CC(C)(C)C)cc(C)c1B1OC(C)(C)C(C)(C)O1 2267575138 BUARQPNSGUYLOD-UHFFFAOYSA-N 435.417 5.291 30 10 IKEE CN(C(=O)OC(C)(C)C)C1(CC(=O)C#Cc2cccc(Br)c2)CCCCC1 2296222862 WUXDTOOASPUBGV-UHFFFAOYSA-N 434.374 5.330 30 10 IKEE CCc1ccc(C=C2SC(=Nc3cccc(C)c3C)N(c3cccc(C)c3C)C2=O)cc1 2297460434 NJKRWTLERJDADA-UHFFFAOYSA-N 440.612 7.291 30 10 IKEE CCCN[C@@H](C#Cc1nc(CC)cs1)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 2300957035 IYMKJLHMMIREJS-QFIPXVFZSA-N 441.641 5.253 30 10 IKEE CN[C@H](C#C[C@H](OC)C1CCCC1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2303655015 VFNLHRCJYRRGLY-ZEQRLZLVSA-N 428.617 5.001 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(-c4ccccc4)cc2)C3=O)cc1 2314437068 BSJJAXVCXIECQQ-UHFFFAOYSA-N 432.475 6.497 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Cl)cc(Br)c1F 2315456517 SRTBOOKMGAAGJM-GOEBONIOSA-N 435.765 5.362 30 10 IKEE Cc1cccc(C#N)c1Sc1cc(I)ccc1Br 2316383109 XHYSZXVYPLIZSM-UHFFFAOYSA-N 430.108 5.385 30 10 IKEE CCCc1nnc(SCc2ccccc2)n1N=Cc1ccc(OCc2ccccc2)cc1 2318574775 TVFWBLQPGWAQOL-UHFFFAOYSA-N 442.588 5.984 30 10 IKEE Oc1ccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C2CC2)cc1O 2320892296 UGOYGQMNGIFHKM-UHFFFAOYSA-N 435.336 5.048 30 10 IKEE Cc1cccc(OCc2nnc(S)n2N=Cc2cccc(OCc3ccccc3)c2)c1C 2322052303 SHIMLCPYUJHSJH-UHFFFAOYSA-N 444.560 5.224 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc3c2CN(C[C@H](O)c2ccc(Cl)cc2)CO3)C1=O 2322234274 JKJWEORNOKUFFK-QFIPXVFZSA-N 447.918 5.150 30 10 IKEE Cc1ccsc1C=C1Oc2c(cc3c(c2C)OCN(CCc2ccc(F)cc2)C3)C1=O 2322286858 VYBDMOBBZUFNBN-UHFFFAOYSA-N 435.520 5.515 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)c1OCCc1ccccc1 2322305625 SVCPGJWNLVIDIR-UHFFFAOYSA-N 434.535 6.880 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2c(OCc3ccc(C)cc3)ccc3ccccc23)cc1 2322391683 RMLKBSVIEIGJPE-UHFFFAOYSA-N 434.579 7.966 30 10 IKEE Cc1cccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3cccc(Cl)c3)C4)C2=O)c1 2322426776 QUSPWZFHQQUFDG-UHFFFAOYSA-N 431.919 5.925 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc2c(c1C)OC(=Cc1c(Cl)cccc1Cl)C2=O 2322684178 FRWGQCIIBSENCH-UHFFFAOYSA-N 439.294 6.446 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OC(=O)CCc4ccc(C)cc4)c3C)C2=O)cc1 2323086059 ONUUCAAAZQLQNT-UHFFFAOYSA-N 426.512 6.020 30 10 IKEE C=C(C)COc1c(OC)ccc(C=CC(=O)c2ccc3c(c2)OCO3)c1Br 2323200284 IVTYYQVONDFBRH-UHFFFAOYSA-N 431.282 5.037 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4C)cc(C)c3C2=O)c1 2323261772 NMFYYYPZJCOUBE-UHFFFAOYSA-N 429.428 5.355 30 10 IKEE Cc1ccccc1NC(=O)COc1cccc(C=CC(=O)c2cc(Cl)ccc2Cl)c1 2323327646 HGRTWKAVLIJXNM-UHFFFAOYSA-N 440.326 6.215 30 10 IKEE COc1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(F)c2)C3=O)cc1 2323423568 IYXSNUFAHGLRGC-UHFFFAOYSA-N 430.431 5.378 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Br)c(OCCCO)c(OC)c2)cc1 2323552926 DMZUBRRXDJNKRG-UHFFFAOYSA-N 447.369 5.458 30 10 IKEE CCOc1c(Br)cc(C=CC(=O)c2ccc(OC)cc2)cc1Br 2323628136 UIURKBUSORMYGR-UHFFFAOYSA-N 440.131 5.515 30 10 IKEE N#C[C@@H](C(=O)C=Cc1ccc(F)cc1)c1nc(-c2cccc(Br)c2)cs1 2324439219 GKXUKMYGTKGTAT-KRWDZBQOSA-N 427.298 5.601 30 10 IKEE CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2cccs2)C3=O)c1 2324825799 SNRXSKROMZNGSL-INIZCTEOSA-N 447.512 5.281 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(OCC(=O)N[C@@H](C)c3ccccc3)c2C)C1=O 2325019938 ONRWQSHHIIGIRX-KRWDZBQOSA-N 433.529 5.237 30 10 IKEE CCCOC(=O)[C@H](CC)Oc1ccc2c(c1C)OC(=Cc1cn(C)c3ccccc13)C2=O 2325079425 QTDOQNGIUCZWGU-NRFANRHFSA-N 433.504 5.214 30 10 IKEE Cc1cc(C(=O)C=Cc2cccc(OC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)c2)ccc1F 2325741945 JFHIINNJDFCFOJ-FQEVSTJZSA-N 446.518 6.527 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)CCCOc3ccccc3)c2)c(OC)c1 2325761673 YLPSNCQWOFZIBE-UHFFFAOYSA-N 446.499 5.365 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCC(=C)C)n1N=Cc1ccc(C)cc1 2326461014 PQOPEBZUSBHTEE-UHFFFAOYSA-N 434.565 5.281 30 10 IKEE CSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc(C(F)(F)F)cc1 2326558138 VMLUWWINILBEEO-UHFFFAOYSA-N 440.494 5.839 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2C)n1N=Cc1cccc(Cl)c1 2327114967 JEDPITOSVJQFFN-UHFFFAOYSA-N 426.973 5.412 30 10 IKEE CCCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccc(C(C)C)cc1 2327300189 JGZURRJQTIEZAS-UHFFFAOYSA-N 436.625 6.290 30 10 IKEE CCCOc1ccccc1C=Nn1c(COc2ccc(Cl)cc2)nnc1SCC 2327540916 GHUFATXLIHXKHD-UHFFFAOYSA-N 430.961 5.294 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1cccc2ccccc12 2327576048 RCHCQFNEKGSJMX-UHFFFAOYSA-N 436.968 6.048 30 10 IKEE Cc1cccc(CSc2nnc(Cc3cccc4ccccc34)n2N=Cc2ccc[nH]2)c1 2327724216 QJQBQKSGUUWYRI-UHFFFAOYSA-N 437.572 5.833 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc(N(C)C)cc1 2329100528 HLZCKBLUEFFGFF-UHFFFAOYSA-N 425.989 5.139 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2N=Cc2cccnc2)cc1C 2329454804 UYKSJGRRLPDSBQ-UHFFFAOYSA-N 447.995 5.709 30 10 IKEE Fc1ccc(C=Nn2c(Cc3ccccc3F)nnc2SCCc2ccccc2)cc1 2329750388 FRXZIYSTHXSJBP-UHFFFAOYSA-N 434.515 5.364 30 10 IKEE C=CCSc1nnc(Cc2cccs2)n1N=Cc1cccc(OCc2ccccc2)c1 2330414391 SBMNRXQNHDYGOD-UHFFFAOYSA-N 446.601 5.670 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3OC)c(OC)c2)cc1 2330769922 CDJMIUTZSLDPFK-UHFFFAOYSA-N 430.500 5.310 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3cccc(OC)c3)c(OC)c2)cc1 2330772792 SJARSDSKXGEPAC-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE CCCOc1cccc(C=Nn2c(SCCc3ccccc3)nnc2-c2ccco2)c1 2331211513 VNJCIBKWHVVTJO-UHFFFAOYSA-N 432.549 5.544 30 10 IKEE C=C(C)CSc1nnc(C(C)(C)C)n1N=Cc1ccc(OCCCCCC)c(OC)c1 2331394076 ZUJTYGVPEIBQSI-UHFFFAOYSA-N 444.645 6.094 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C(C)(C)C)c1 2331417988 HGQSSQRFDUUBEE-UHFFFAOYSA-N 446.979 5.941 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc(Cl)c1OC(C)=O 2331549929 IKFYPAOWVVKZHR-UHFFFAOYSA-N 430.928 5.866 30 10 IKEE O=C(CSc1ccccc1)Oc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1Cl 2331557518 FEUYMCNXQDMIGQ-UHFFFAOYSA-N 444.886 6.212 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3sccc3C)c([N+](=O)[O-])c2)c(C)c1 2331769775 SIPSKAZKLVLXGV-UHFFFAOYSA-N 435.501 6.005 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)cc3)cc2)c(OC)c1OC 2331885476 RIISRZUCYXUBDB-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE CCN[C@H](C#CC1(SC)CC1)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2336207114 WHRTZBAUOLVNBA-QGZVFWFLSA-N 439.419 5.346 30 10 IKEE CSc1cccc(Oc2cc(NC(=O)OC(C)(C)C)ccc2Br)c1C#N 2344224582 VUJWWDFGLZTJBG-UHFFFAOYSA-N 435.343 6.182 30 10 IKEE CC[C@@H](N[C@H]1CCCCN(Cc2ccccc2)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363835815 HQPQSWPMULZEPV-IZZNHLLZSA-N 448.460 5.081 30 10 IKEE CC1(C)OB(c2cc(Cl)cnc2NCCc2cc(Cl)sc2Cl)OC1(C)C 2364915998 MVYNJQRVTRWSIW-UHFFFAOYSA-N 433.597 5.057 30 10 IKEE CC1(C)OB(/C=C/c2ccc(Nc3cc(Br)ccc3Cl)nc2)OC1(C)C 2365104494 CBVYLKOKQUQYPE-MDZDMXLPSA-N 435.558 5.886 30 10 IKEE O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)O/C(=C/c1c(Cl)cccc1Cl)C2=O 2211195 FYNBSVPJWWVETR-CNVFKFROSA-N 437.278 6.228 30 10 IKEE C=CCN1C(=O)[C@@H](CC(=O)c2ccc(Cl)c(C)c2)S/C1=N\c1ccc(Cl)cc1 15055388 VRTXUIIZYNZSQQ-GZXZFMISSA-N 433.360 5.692 30 10 IKEE COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1Cl 20883931 DWHJWXAZRDALGG-WXTAPIANSA-N 430.935 6.328 30 10 IKEE CCc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)cc1 21249767 OPOVNYYUSLIFOR-XHCCPWGMSA-N 428.963 6.882 30 10 IKEE Cc1noc2c1[C@@H](c1ccc(Cl)c(Cl)c1)C1=C(C[C@@H](c3ccccc3O)CC1=O)N2 33026473 AKLUZVOIEKVLJU-LRTDBIEQSA-N 441.314 5.954 30 10 IKEE C=CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc(F)cc2)c1 39824454 CLFUQLBAJCPBME-DEOSSOPVSA-N 441.458 5.242 30 10 IKEE C=CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(CC)cc2)c1 39872804 JWMKLOFPDWIRBP-RUZDIDTESA-N 437.495 5.670 30 10 IKEE C=CCc1ccc(OCCCCn2c(Cc3ccccc3C)nc3ccccc32)c(OC)c1 40226600 RSUBUFRHMVCLIK-UHFFFAOYSA-N 440.587 6.532 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3cc(OC/C=C/c4ccccc4)cc(C)c3C2=O)c1 41436318 XIVMGWRKMQVIDI-QFUIXIOLSA-N 428.484 5.721 30 10 IKEE COC(=O)c1ccc(COc2ccc3c(c2C)O/C(=C\C=C\c2ccccc2)C3=O)cc1 41502018 FGKDAVFUJUBLBY-AJRXITOCSA-N 426.468 5.533 30 10 IKEE COc1ccc(CN2COc3c(cc4c(c3C)O/C(=C\c3ccccc3C)C4=O)C2)cc1 41587934 RRHJDSZVBROUPY-CFRMEGHHSA-N 427.500 5.280 30 10 IKEE Cc1c2c(cc3c1O/C(=C\C=C\c1ccccc1)C3=O)CN(CCCc1ccccc1)CO2 41588526 HGLYJPSCIFTVEF-YGPNXQTESA-N 437.539 5.952 30 10 IKEE N#Cc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c(I)c1 48544724 WPLRPQIRCQFLKX-UHFFFAOYSA-N 448.647 5.329 30 10 IKEE O=[N+]([O-])c1ccc(O)c(/C=N/c2cc(C(F)(F)F)ccc2N2CCc3ccccc3C2)c1 59463180 WHELSYJKBBHJJC-UVHMKAGCSA-N 441.409 5.633 30 10 IKEE CCCCCCCC/C=C/CCCCCCCCCCCC(=O)NCc1ccccc1 59568311 DJAHJLPTHLWQBP-MDZDMXLPSA-N 427.717 8.901 30 10 IKEE CC(=O)N1CCC[C@@H](C(=O)Nc2cc(Cl)c([C@H](C#N)c3ccc(Cl)cc3)cc2C)C1 59747644 OAZIYIXJQWOOJQ-YLJYHZDGSA-N 444.362 5.154 30 10 IKEE CCCOc1ccc(NC(=O)[C@H]2CC(=O)N(CC)/C(=N/c3cccc(Cl)c3)S2)cc1 100184684 MNJBOTGNBQJOHR-IPQBESIJSA-N 445.972 5.109 30 10 IKEE CCCCCCCOc1cccc(NC(=O)c2cccc(OCCOc3ccccc3)c2)c1 100246335 MYXXBQPLIWBWDK-UHFFFAOYSA-N 447.575 6.746 30 10 IKEE C=CCn1c(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c(C)c2cc(C(C)C)ccc21 169863476 HIOPCVFDUZTGIY-FMIVXFBMSA-N 441.619 5.730 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(OC(C)C)c2)cc1C 169981380 ZGIBYUUSRHYLPO-DEOSSOPVSA-N 433.548 5.612 30 10 IKEE Cc1cc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccco3)[nH]c2cc1C 170098888 IWABAKAGWLKTCE-FQEVSTJZSA-N 447.878 5.209 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2sccc2C)cc1 170105854 UAIVITRCEFJDJO-HXUWFJFHSA-N 437.492 5.296 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(C)c2)cc1C(C)C 170148413 SMPYJTYTLDPXPS-RUZDIDTESA-N 447.575 6.038 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCC)cc1 170216065 QBXOBCIOGVTAIU-VWLOTQADSA-N 443.543 6.007 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccco2)c1 170281561 HBWSSZWOHGEIGE-FQEVSTJZSA-N 441.842 5.254 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccco1 170295691 QSYAUPMWNBWWIR-KRWDZBQOSA-N 436.291 5.116 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1c1ccc(F)cc1 170313889 OMRKDHPTOJLQIB-QFIPXVFZSA-N 447.531 5.857 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1cccc2ccccc12)c1cccs1 170420727 KTHVJLPJDQVYDW-QHCPKHFHSA-N 443.499 5.819 30 10 IKEE COc1ccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(OC(F)(F)F)cc2)cc1 170426361 ROUKRQNJWPNWIY-SFHVURJKSA-N 449.425 5.109 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 170471227 RDVZVMIVXSSYON-QFIPXVFZSA-N 437.555 5.677 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc(OCc3ccccc3)cc2)[C@H]1c1ccccn1 170478709 RKYJUTDOPKILHA-QHCPKHFHSA-N 442.515 5.176 30 10 IKEE CSc1ccc(/C=C\C(=O)c2ccc(C(=O)/C=C\c3ccc(SC)cc3)cc2)cc1 195798188 JKKRFIORCCRLMO-MZAUSLISSA-N 430.594 6.923 30 10 IKEE O=C(/C=C\c1cn(Cc2ccccc2)nc1-c1cccnc1)c1cccc(N2CCCC2=O)c1 208834132 JNWVOUSYWGMKBY-YPKPFQOOSA-N 448.526 5.016 30 10 IKEE COc1ccc(C(=O)CSc2nsc(Nc3cc(Cl)ccc3C)c2C#N)cc1 247902911 ZWDOLUNSBPSPEU-UHFFFAOYSA-N 429.954 5.704 30 10 IKEE CCOc1ccc(-c2nc3cc(N=Cc4cc(Cl)cc([N+](=O)[O-])c4O)ccc3o2)cc1 252625326 QHMYRXWTUPGOHW-UHFFFAOYSA-N 437.839 5.911 30 10 IKEE COc1ccc(N=C2[C@H](N3CCCCC3)C3(CCCCC3)C(=O)N2c2ccccc2)cc1 254833015 BLELGNIPSPWMPO-DEOSSOPVSA-N 431.580 5.577 30 10 IKEE COc1ccc(/C=C2\SC(=Nc3ccccc3)N(c3ccccc3)C2=O)c(OC)c1OC 254865937 YTGHUEQUAJYCOS-UKNYLZHGSA-N 446.528 5.521 30 10 IKEE C=C(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@H](C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 257398173 CPAQRHKQDWNSMI-WVPTZZAXSA-N 426.729 8.479 30 10 IKEE endogenous,in-man Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1COc1cccc(OCc2ccccc2)c1 399180372 RPHXDIXPAIOWST-UHFFFAOYSA-N 430.353 5.452 30 10 IKEE CC(C)c1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 526802517 JPFKUJKJKXPTHE-QRQIAZFYSA-N 444.579 6.306 30 10 IKEE CCCCC1CCC(C(=O)NC2CCC(OS(=O)(=O)c3ccc(CC)cc3)CC2)CC1 586507967 QMTOHZZWCVOSNL-UHFFFAOYSA-N 449.657 5.378 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCc3cc(Br)ccc32)c1 698420750 WRDQHSVKSKEZJS-QFIPXVFZSA-N 427.342 5.864 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1cnn(C(C)(C)C)c1 698453811 GYBYOXBYPUNIOA-KRWDZBQOSA-N 433.350 5.407 30 10 IKEE CC(C)[C@@H]1CC[C@@H](C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 698497278 MFEMDNZBVTUBQZ-WVBUVRCRSA-N 435.406 6.545 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C3CCCCC3)[C@H]1C2 721746200 IHQRUQIQYOBFLR-BSWQBHCVSA-N 447.620 5.628 30 10 IKEE Cc1cc(/C=C2/SC(=Nc3ccccc3)N(C3CCCCC3)C2=O)c(C)n1C1CCCC1 725432294 NCUONQITRHPRGZ-OFGWUVNBSA-N 447.648 7.157 30 10 IKEE C=C[C@H]1c2ccccc2N(S(=O)(=O)c2ccc(C)cc2)[C@@H]1C(=O)/C=C/c1ccccc1 1073227797 ITBWHUMMDVMSIT-GAUSDMLVSA-N 429.541 5.125 30 10 IKEE Cc1cc(C)c(C(CSc2nc3ccccc3o2)=NNc2ccc([N+](=O)[O-])cc2)cc1C 1084257222 NCKYIQJLIZGLSO-UHFFFAOYSA-N 446.532 6.270 30 10 IKEE Cc1cc(C=Nc2ccc(C3CCCCC3)cc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 1084321701 ZPGJHIXQRMTQEW-UHFFFAOYSA-N 434.967 7.244 30 10 IKEE CCCCC(C)=NNc1nc(SCC(=O)Nc2ccccc2Oc2ccccc2)n[nH]1 1084454681 FMXFNTSIBBHENW-UHFFFAOYSA-N 438.557 5.306 30 10 IKEE Cc1nc(O)c2ccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)cc2n1 1354005095 DNVXSEUXZUUQCS-FQEVSTJZSA-N 428.879 5.205 30 10 IKEE CC(C)C(=O)Nc1ccc(C#Cc2ccc(C#Cc3cc4ccccc4s3)s2)cc1 1615217091 LQZWTLHZJNYVGM-UHFFFAOYSA-N 425.578 6.357 30 10 IKEE O=C1NC(=NN=Cc2cccc3ccccc23)S[C@@H]1Cc1cccc(Cl)c1Cl 1772724717 AKRKFEOIXWEVRL-GOSISDBHSA-N 428.344 5.311 30 10 IKEE Cc1cc2c(n1-c1ccccc1)CC(C)(C)CC2=NOC(=O)[C@@]12CC[C@@](C)(C(=O)C1)C2(C)C 1772728628 SDNDGHGIRALUGE-WUFINQPMSA-N 446.591 5.791 30 10 IKEE CC(/C=C1\SC(=Nc2cccc(C(=O)O)c2)N(C2CCCCC2)C1=O)=C\c1ccccc1 1772737909 SJTJAXRHZHWPDL-ZWJJNWPCSA-N 446.572 6.268 30 10 IKEE Cc1c(N=Nc2ccc(N=Nc3ccccc3)cc2)c(O)n(C2CCCC2)c(=O)c1C#N 1772740773 HJARRSBLUYUQFW-UHFFFAOYSA-N 426.480 6.680 30 10 IKEE O=C1/C(=C/C=C/c2ccccc2)SC(=NN=C/C=C\c2ccccc2)N1Cc1ccco1 1772758718 CBOKNSSSMLRPNE-PCITYUIJSA-N 439.540 6.008 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(OCCCC)c(OC)c2)SC1=Nc1cccc(O)c1 1772762596 FWYYQEXNLZYQAS-LAJNNLEESA-N 438.549 5.370 30 10 IKEE Fc1cccc(-n2cc(/C=N\NC(=S)Nc3cccc(Cl)c3)c(-c3ccccc3)n2)c1 1857809208 QXRMSUSCGIADFM-WGARJPEWSA-N 449.942 5.652 30 10 IKEE Fc1ccc(NC(=S)N/N=C\c2cn(-c3ccccc3Cl)nc2-c2ccccc2)cc1 1857810903 GYTKHHPDKVGRLD-WGARJPEWSA-N 449.942 5.652 30 10 IKEE COc1cccc(-c2nn(-c3ccccc3)cc2/C=N\NC(=S)Nc2cccc(C)c2)c1 1857811044 IGRBCWDXUQUCOR-QQXSKIMKSA-N 441.560 5.177 30 10 IKEE C=CCN(CC=C)C(=O)Oc1cccc2c(NC(=O)CCCc3ccc(C)cc3)cccc12 1858950190 CENCYGKCYKMACX-UHFFFAOYSA-N 442.559 6.282 30 10 IKEE CCOc1ccc(/C=C/C(=O)C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1OCC 1860729002 RHSNJAANQZMXSZ-MHWRWJLKSA-N 430.504 5.449 30 10 IKEE CCCCCCCCCCn1c(C)cc(OCCCOc2ccc(Cl)cc2)cc1=O 1860784746 CSCVOPGGXTXGHN-UHFFFAOYSA-N 434.020 6.799 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1C(F)(F)F 1861047666 LDWBWZQMDCFQJJ-HXUWFJFHSA-N 426.523 5.567 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@@H]1c1ccc2cc[nH]c2c1 1862395173 NORMXZJPSJHFSI-VWLOTQADSA-N 444.575 6.279 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 1862396798 HKWJTLWTAKBICY-NRFANRHFSA-N 445.481 6.036 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2cccc3ccccc23)cc1 1862397752 RWVPQQNNYFHSBC-RUZDIDTESA-N 443.543 5.143 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc2cc[nH]c2c1)c1cccc(Cl)c1 1862446333 PUVPDMMGUFTQLC-QHCPKHFHSA-N 442.902 5.600 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc3c(c2)CCCN3C)cc1 1862481915 HNVGLNSSJRYLDX-XMMPIXPASA-N 432.564 5.002 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2c(Cl)cccc2Cl)cc1 1862482504 OPSNEKPBCDGYJV-FQEVSTJZSA-N 432.347 5.926 30 10 IKEE CCN(CC)CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccccc1C 1862489633 FBDCLGHGTXNHSF-VWLOTQADSA-N 448.607 5.312 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862501411 BRDJFXHNGFFHTR-QHCPKHFHSA-N 449.453 5.060 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2ccc(C)cc2)cc1 1862532626 IEMJXJBZJMBGCY-AREMUKBSSA-N 439.555 5.953 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2ccc(Br)cc2)cc1 1862540773 VQNADBMGCHEDKK-XOBRGWDASA-N 442.353 5.388 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1c(Cl)cccc1Cl)c1ccc2c(c1)CCCC2 1862554000 SDLDVGBYAVMNIM-NRFANRHFSA-N 442.342 5.613 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cc(Cl)cc(Cl)c1 1862587419 QTDCBEGLRDOCMA-MRXNPFEDSA-N 445.129 5.898 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(C(C)C)cc2)cc1F 1862641252 YPGJUMFXEINYEG-HSZRJFAPSA-N 437.511 5.479 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccc1Br 1862656639 KNCJTWOFQSJBKZ-OAQYLSRUSA-N 448.316 5.367 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1c(Cl)cccc1Cl 1862667645 HLPBVKDILURZHU-HXUWFJFHSA-N 430.331 5.881 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(Cl)c1 1862744820 VRAXPNAPGLYLGK-GOSISDBHSA-N 449.290 5.136 30 10 IKEE Cc1cccc(NC2=C(c3cccc4ccccc34)C(=O)N(c3ccccc3C#N)C2=O)c1C 1862853731 CSUZYPUSSZBXJS-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE Cc1cc(C2=C(Nc3cccc(C)c3C)C(=O)N(c3ccc(C#N)cc3)C2=O)ccc1F 1863093013 HNTBONYXOIUPTG-UHFFFAOYSA-N 425.463 5.019 30 10 IKEE CCCCCCCCNC1=C(c2ccc(F)cc2F)C(=O)N(Cc2cccs2)C1=O 1863651447 UOSUMUSIXSYBBO-UHFFFAOYSA-N 432.536 5.257 30 10 IKEE C=CCN(CC=C)c1cc(N2C[C@H](C)O[C@H](c3ccc(F)cc3)C2)nc(-c2ccccc2)n1 1869206649 LVFCGXYRXBGZFJ-RDPSFJRHSA-N 444.554 5.428 30 10 IKEE C=CCOc1cn(CCCOCC)c(CNc2ccc(-c3ccccc3C)cc2)cc1=O 1870810297 WLFLQTFCUWZZDG-UHFFFAOYSA-N 432.564 5.427 30 10 IKEE CCCCCCCCCCNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 1871313645 BFQLGGZCARTLCJ-UHFFFAOYSA-N 440.635 7.949 30 10 IKEE Cc1ccc(C)c(CN2COc3ccc4c(c3C2)O/C(=C\c2c(F)cccc2Cl)C4=O)c1 1871349697 YIUQUZGPSGJYHC-MYKKPKGFSA-N 449.909 6.064 30 10 IKEE CCCCOCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccccc1F)C3=O 1871350567 LECDMPJRHIGHNP-HMAPJEAMSA-N 425.500 5.109 30 10 IKEE CC[C@@H](C)N1COc2c(cc3c(c2C)O/C(=C\c2ccc(-c4ccccc4)cc2)C3=O)C1 1871353561 SQYUFJDAMOOVBV-DBXOKZBGSA-N 425.528 6.229 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3cc(-c4ccc(OC)cc4)c(=O)oc3c2)c1 1871389018 UQYAPCIDTDTURA-UHFFFAOYSA-N 428.440 5.253 30 10 IKEE CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccc(C)o1)C2=O 1871402483 JJGBAYROSGUBCQ-NQRZERFFSA-N 447.487 5.317 30 10 IKEE CCc1ccc(OCCCOc2cc(C)c3c(c2)O/C(=C\c2ccccc2OC)C3=O)cc1 1871412770 CYCRHSULOXLBBA-ONUIUJJFSA-N 444.527 6.030 30 10 IKEE Cc1cc(OCc2ccc(C(=O)OC(C)C)cc2)cc2c1C(=O)/C(=C/c1ccccc1)O2 1871414206 JVBYCWWVKQYQPE-OYKKKHCWSA-N 428.484 5.755 30 10 IKEE CCCC[C@H](Oc1ccc2c(c1C)O/C(=C\c1ccccc1Br)C2=O)C(=O)O 1871423620 VIZJGTRJWPSTTL-IZILLXMLSA-N 445.309 5.396 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 1871440417 NWDJCCGQJYOQFL-QTLYDGDGSA-N 425.484 5.493 30 10 IKEE Cc1ccc2oc(=O)cc(COc3ccc4c(c3C)O/C(=C\c3ccc(F)cc3)C4=O)c2c1 1871460625 WOVCBXOUXKSZAE-MSXFZWOLSA-N 442.442 5.744 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(N(CC)CC)cc2)[nH]c(N(CC)CC)n1 1871698548 QBJYICVEJIGMSO-UHFFFAOYSA-N 441.668 5.502 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccccc1)S(=O)(=O)c1ccc(C)c(C)c1 1872137362 SVZUYFVRGBTMNK-HSZRJFAPSA-N 428.598 5.068 30 10 IKEE C=CCN([C@H](C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)C(C)C)S(=O)(=O)CCCC 1872324317 DFRNJFLTUSWGDI-QHCPKHFHSA-N 436.662 5.514 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccccc1CC)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 1872479735 SNLUXMSEZPGBDW-VWLOTQADSA-N 448.588 5.114 30 10 IKEE N#C[C@@H](C(=O)c1cccc(Oc2ccccc2)c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1872759805 ABSBEDJUSVRYGA-NRFANRHFSA-N 441.468 6.001 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)n2)c1C 1872780344 GEYJFXNINZSNFU-OSICKASQSA-N 431.517 5.842 30 10 IKEE COc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1 1872780747 LZEGKLYIJWLVOK-QFIPXVFZSA-N 448.588 6.088 30 10 IKEE COc1cc(OC)c(-c2csc([C@H](C#N)C(=O)CCOc3ccccc3)n2)cc1Cl 1872782785 NCHHFMFHELEAOU-MRXNPFEDSA-N 442.924 5.126 30 10 IKEE COc1cc(NC(=O)c2cccc(CSc3nc(C)c(C)c(C)c3C#N)c2)cc(OC)c1 1872893206 MJMZMDPOOQPXNK-UHFFFAOYSA-N 447.560 5.440 30 10 IKEE CCCCCCCCNC1=C(c2cccc(OC)c2)C(=O)N(Cc2ccc(C)cc2)C1=O 1873048389 UBRLZSFHBSORAR-UHFFFAOYSA-N 434.580 5.234 30 10 IKEE C=CCNC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2Cl)sc2c1CCCC2 1873442660 OMVWZMRDISNQPI-CSKARUKUSA-N 435.376 5.501 30 10 IKEE CCCCCCCCN=c1nc2c(cnn2-c2ccccc2)c(Nc2cccc(F)c2)[nH]1 1873477934 CGWCAPQIJWNOTH-UHFFFAOYSA-N 432.547 5.893 30 10 IKEE COc1ccc(/C=N/Nc2ccccc2Cl)cc1OCc1ccc(Cl)cc1Cl 1873496091 CCLSQTLWNWOTAL-BRJLIKDPSA-N 435.738 6.680 30 10 IKEE Sc1nnc(-c2cccs2)n1/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 1873503079 GUNPMXKBUZXIAF-WSDLNYQXSA-N 426.954 5.410 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](C)Oc1cc2oc(=O)cc(CC)c2cc1Cl 1873935484 RZLOAWZSBUVXLX-KRWDZBQOSA-N 435.992 6.033 30 10 IKEE CCSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccc(C(F)(F)F)cc1 1874268892 FTQOLICYJMGVHC-BHGWPJFGSA-N 440.878 5.524 30 10 IKEE COc1ccccc1CCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1cccs1 1874311811 USCAJOHFBCNWQT-PCLIKHOPSA-N 448.617 5.616 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874317902 QBPMSPCFSPCLLU-WGOQTCKBSA-N 446.498 5.469 30 10 IKEE CCCSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1cn(C)c2ccccc12 1874327815 IEHIDRQQZJZWGC-AFUMVMLFSA-N 433.581 5.350 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2ccccc2C)nnc1[C@H](C)c1ccccc1 1874392560 PIHLQPQVOOGZBI-ADIMLFFHSA-N 426.589 6.221 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(-c2cccs2)n1/N=C/c1ccco1 1874423908 LJNNDJLVCKWZHD-UFFVCSGVSA-N 435.361 6.081 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(O)cc1 1874480416 VZWQWTCKGIPHOM-FSJBWODESA-N 435.380 5.808 30 10 IKEE Cn1cc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C(C)(C)C)c2ccccc21 1874485669 HMIKZWUZNVAXEO-DHRITJCHSA-N 438.000 5.895 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2ccc(Cl)cc2)c1 1874516729 IGBNLKFSQJXBHX-WYMPLXKRSA-N 439.972 5.039 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CC2)c1 1874520272 JUNOQYBJLJBVKM-ZVHZXABRSA-N 426.973 5.772 30 10 IKEE Cc1ccc(COc2ccccc2/C=N/n2c(S)nnc2Cc2ccccc2F)cc1 1874561888 POHSPEYADRAXKL-CVKSISIWSA-N 432.524 5.066 30 10 IKEE Sc1nnc(CCc2ccccc2Cl)n1/N=C/c1cccc(Oc2ccccc2)c1 1874565926 CIAQRBPGKWAHQE-PCLIKHOPSA-N 434.952 5.680 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(F)cc2F)c1OCc1cccc2ccccc12 1874576608 WCRKHNMQMGUQRA-NTCAYCPXSA-N 430.450 6.602 30 10 IKEE Cc1cc(C(=O)/C=C/c2c(OCc3cccc4ccccc34)ccc3ccccc23)ccc1F 1874580189 BKWKMWDDABRCFA-BMRADRMJSA-N 446.521 7.916 30 10 IKEE COC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1cc(C(C)C)c(OC)cc1C 1874585030 IZXIADSTPKDEHZ-VAWYXSNFSA-N 432.516 5.728 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2)c1C 1874586747 CMMXQEJJSWYJFT-ZRDIBKRKSA-N 447.962 6.487 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1C 1874588177 VFZYIXLNQFRVQS-RMKNXTFCSA-N 445.773 7.739 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccc([N+](=O)[O-])cc1 1874594456 LDGDNVQNYDJXHI-NYYWCZLTSA-N 428.271 6.377 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3Cl)c(OCC)c2)cc1 1874607412 MVULPYYXSNORCJ-GHRIWEEISA-N 448.990 7.556 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1Cl 1874610308 LUNLXVHZAXWZKZ-WYMLVPIESA-N 449.934 5.825 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](C)CSc2nnc(CCc3ccc(C)c(C)c3)n21 1875024553 MSUYLDCHLKVFFT-FQEVSTJZSA-N 428.646 5.390 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)ccc1OC(=O)c1ccc(C)c(C)c1 1875100484 DDISZFIRTAATHF-JLHYYAGUSA-N 430.500 5.826 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1OC 1875117540 PEYMZAIJCHGDIP-ACCUITESSA-N 445.353 6.230 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC(=O)[C@@H](C)c1ccccc1 1875125711 WKHGEFFFMXZQLS-DWCFMXGVSA-N 434.919 6.344 30 10 IKEE CCc1ccc(C(=O)Oc2c(Cl)cc(/C=C/C(=O)c3ccc(C)cc3C)cc2OC)cc1 1875130989 BVEXPYFKBWUUIG-UKTHLTGXSA-N 448.946 6.643 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)cc2)cc1 1875132658 XMVKVZNFRKBXJB-KPKJPENVSA-N 446.415 5.235 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2)c1 1875156119 LDJFYWCJHRKGJI-RQZCQDPDSA-N 428.528 6.253 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)C1CCCC1 1875163692 XYRDUTQSRXQXMU-FMIVXFBMSA-N 426.459 5.694 30 10 IKEE Cc1cncc(C(=O)Oc2ccc(/C=C/C(=O)c3c(C)cc(C)cc3C)cc2[N+](=O)[O-])c1 1875182904 AITNOMMLGSCFHC-FNORWQNLSA-N 430.460 5.339 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)ccc1OC(=O)C(C)C 1875187976 JWBHTKHVJHGGGA-SOFGYWHQSA-N 437.319 5.858 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1880357497 QAPMEYABPSYPCV-KBMIEXCESA-N 443.588 5.353 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C12CC2 1880382285 HPAGIERWDWOLGI-VWLOTQADSA-N 441.572 5.250 30 10 IKEE CCCCCCCCCCC[C@@H](O)c1sc(Br)cc1Br 1922946054 NCCQYVXXUBCMSW-CQSZACIVSA-N 426.258 7.227 30 10 IKEE CCCCCCCCCC(=O)c1c(Br)sc(Br)c1Cl 1923076289 PRVCCJWENIBEOJ-UHFFFAOYSA-N 430.633 7.250 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1926492689 LYXFKENMWJQHQH-OYHNWAKOSA-N 435.952 5.231 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 1944593737 NGNAIABXSJUNBD-KOSHJBKYSA-N 435.609 5.533 30 10 IKEE CCCCC#CC[C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2024371773 VMVJYTCEFPOBBN-OEMFJLHTSA-N 430.633 5.437 30 10 IKEE O=C(C=Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)c1ccccc1 2053494196 OTBCYVXLJLACDT-UHFFFAOYSA-N 429.317 6.198 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)C23CCC3)c1 2057185394 NTOIAGOCBKRDQX-VWLOTQADSA-N 441.572 5.562 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(Cl)ccc(Br)c1F 2058342652 TZLUECJZSYPHLJ-XJKSGUPXSA-N 435.765 5.362 30 10 IKEE Cc1ccc([C@H](n2nc(C(C)(C)C)c(C#N)c2I)C(C)(C)C)cc1C 2078992167 KJLBGCIGCSAHJZ-SFHVURJKSA-N 449.380 5.909 30 10 IKEE Cc1ccc([C@@H](C2CCC2)n2nc(C3CCC3)c(/C=N/O)c2I)cc1 2079013287 IIQNJECRSVEFGX-VVJWVBNBSA-N 449.336 5.261 30 10 IKEE CC(C)(C)[C@@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)(F)F)c(CN)c1Cl 2079848135 DCGYXSYLQVQDJY-CYBMUJFWSA-N 431.783 5.807 30 10 IKEE CCCOc1ccc([C@H](n2nc(C3(C)CC3)c(C#N)c2Br)C2(C)CC2)cc1 2080068716 GRBQPDAYBDFXRT-IBGZPJMESA-N 428.374 5.747 30 10 IKEE CC(C)(C)c1nn2c(O)cc(-c3ccc(C(F)(F)F)c(Br)c3)nc2c1C#N 2080829060 FYQSJNBRBMXIQT-UHFFFAOYSA-N 439.235 5.052 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@H](C#N)c1cc(Cl)cc(Br)c1 2088228728 ZNXJTDMQILRHOW-QGZVFWFLSA-N 439.712 6.248 30 10 IKEE C=C(c1ccccc1)[C@@H](NC)c1ccc(Br)cc1I 2142289378 YVNWPABPUPJBJA-MRXNPFEDSA-N 428.111 5.028 30 10 IKEE COc1ccc(NC(=O)OC(C)(C)C)c(Nc2cc(Br)cc(F)c2C#N)c1 2163709492 UOOXJOAYZUWURN-UHFFFAOYSA-N 436.281 5.559 30 10 IKEE CCC1CCC([C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)CC1 2168396819 PWZNHZCIRIXQLG-CNXQINBVSA-N 435.406 6.689 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)C1(C(F)(F)F)CCCC1 2177878278 AASTVPBKJVWNBR-HNNXBMFYSA-N 447.295 6.205 30 10 IKEE CC#CCCCC[C@H](NCCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2196175459 YIXLSFBLOLHUGX-FQEVSTJZSA-N 437.422 6.421 30 10 IKEE C=CCCCCCCC[C@H](NC)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2214624619 UVSVFNVSILFHEL-YFNKSVMNSA-N 432.649 5.990 30 10 IKEE C=CCCCCC[C@@H](O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229107427 KGBMDBNFJSGZJQ-RBUKOAKNSA-N 426.395 5.382 30 10 IKEE COc1ccc(C#CC(=O)c2ccc(NC(=O)OC(C)(C)C)c(Br)c2)cc1 2237856863 PDMWBEUPGMRDJO-UHFFFAOYSA-N 430.298 5.039 30 10 IKEE C=CCCC1([C@H](C[C@@H](C)COCc2ccccc2)NCCC)CN(C(=O)OC(C)(C)C)C1 2254998293 DOSXOKSMFZKMPP-VWNXMTODSA-N 444.660 5.801 30 10 IKEE C=CC[C@@]1(COc2nc(Cl)ncc2Br)CCCCN1C(=O)OC(C)(C)C 2272227533 HRNJQJJXGXFPBJ-SFHVURJKSA-N 446.773 5.007 30 10 IKEE CCN=C1SC(=Cc2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)C(=O)N1CC 2294009884 VZESTVTXFIMOOI-UHFFFAOYSA-N 438.622 5.218 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCCN)c1cc(Br)ccc1OCCC 2294339449 MNBGZSBODFKMFQ-QFIPXVFZSA-N 434.374 5.027 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C#Cc1cccc(Br)c1 2296225960 AOTLYMSNBHBLBH-PMACEKPBSA-N 436.390 5.025 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)CN(CC(C)C)C(=O)OC(C)(C)C 2296299643 XUXLOMFGSCWPOU-FQEVSTJZSA-N 437.422 5.062 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2)Oc2cc(OS(=O)(=O)c3ccc(Cl)cc3)ccc21 2296871038 BAMTZYJMXSXREB-UHFFFAOYSA-N 447.295 5.377 30 10 IKEE CCc1ccc(N=C(C)c2c(C(F)(F)F)nn(-c3nc4ccccc4s3)c2O)cc1 2297747785 SIJKODRBJJMEGM-UHFFFAOYSA-N 430.455 5.910 30 10 IKEE Cc1cc2c(cc1C)C(=O)C(=Cc1cn(-c3ccc([N+](=O)[O-])cc3)nc1-c1ccccc1)O2 2314519291 HWVRCLQMWOEOEP-UHFFFAOYSA-N 437.455 5.681 30 10 IKEE O=C1C(=Cc2ccccc2)SC(=NN=Cc2cc(Cl)ccc2O)N1Cc1ccco1 2314840943 KIZOGBULFTVMJK-UHFFFAOYSA-N 437.908 5.145 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](CSc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2317309134 PWGUVUCCZOBGEQ-KSEUIEODSA-N 446.422 5.075 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(C)n2N=Cc2ccc(C(C)(C)C)cc2)c1 2321106723 YTAOTVDAPRAEHZ-UHFFFAOYSA-N 435.597 5.114 30 10 IKEE C=CCSc1nncn1N=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 2321303099 AAHGBSRIIYCXQK-UHFFFAOYSA-N 449.363 5.333 30 10 IKEE Cc1c(OCc2c(F)cccc2Cl)ccc2c1OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2321802418 UVTGVSCNEPDOPD-UHFFFAOYSA-N 439.826 5.891 30 10 IKEE Cc1c(OCc2c(F)c(F)c(F)c(F)c2F)ccc2c1OC(=Cc1ccccc1)C2=O 2321810831 RRCBQBNXFTZMGR-UHFFFAOYSA-N 432.344 5.886 30 10 IKEE Sc1nnc(CC2CCCCC2)n1N=Cc1cccc(OCc2cccc(Cl)c2)c1 2321958583 YUMKNGRVLYVOCR-UHFFFAOYSA-N 441.000 5.804 30 10 IKEE Fc1ccccc1COc1ccc(C=Nn2c(S)nnc2-c2ccccc2Cl)cc1 2321993326 OGABZGBBSDBDMY-UHFFFAOYSA-N 438.915 5.488 30 10 IKEE CCCCOc1ccc(C=Nn2c(S)nnc2CCCOc2ccc(Cl)cc2)cc1 2322238514 KVLNIVQATXUALM-UHFFFAOYSA-N 444.988 5.293 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(C(C)C)cc1)C3=O)CN(CCCOC(C)C)CO2 2322333387 PAINABCBTNZUGX-UHFFFAOYSA-N 435.564 5.702 30 10 IKEE CC[C@@H](C)N1COc2c(cc3c(c2C)OC(=Cc2cccc(Br)c2)C3=O)C1 2322371174 OUNAPLNWSYURLB-CYBMUJFWSA-N 428.326 5.324 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1 2322399130 KMJUQHNDBKDZGU-UHFFFAOYSA-N 439.382 7.811 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2)cc1 2322456013 UROFDQJJXCLSHU-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC)c2OCc2cccc(C)c2)cc1C(C)C 2322806058 WANXYKGVVASZQV-UHFFFAOYSA-N 444.571 6.919 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccccc1OCC(=O)N[C@@H](C)c1ccccc1 2322845576 OTTPYUMPNRUZAE-NRFANRHFSA-N 443.543 5.464 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1OCC(=O)Nc1cccc(C)c1C 2323120189 DSYGOGLEISOTCU-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE Cc1cc(OC(=O)c2ccccc2[N+](=O)[O-])cc2c1C(=O)C(=Cc1ccccc1Cl)O2 2323153384 IBOOJVVYGJXIJE-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3ccccc3C)c2)cc1F 2323202006 RKRUPMWAZSIJQP-UHFFFAOYSA-N 449.478 5.065 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O 2323396213 JMEDFZHBQDEUBG-UHFFFAOYSA-N 440.882 6.258 30 10 IKEE C=C(C)COc1c(Br)cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1OC 2323434171 BBKGJVQWWGFDKW-UHFFFAOYSA-N 441.365 6.188 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Cl)c1OCc1cccc(F)c1 2323758617 QMDOKEMQYPGYGQ-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE CCOc1c(OC)cc(C=NNc2nc(-c3ccc(C)c(C)c3)cs2)cc1[N+](=O)[O-] 2323870703 QXOBKCFMZPSKED-UHFFFAOYSA-N 426.498 5.188 30 10 IKEE CN(Cc1c(O)ccc2c1OC(=Cc1ccc(Br)cc1)C2=O)C1CCCCC1 2324074503 HOORVPNZGFWXLC-UHFFFAOYSA-N 442.353 5.535 30 10 IKEE Cc1c(OCCCOc2ccccc2)ccc2c1OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2324241130 DIUGEDZTPZNJDL-UHFFFAOYSA-N 431.444 5.367 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(O[C@H](C)C(=O)Nc4ccccc4Cl)c3C)C2=O)c1 2324397399 MVVQGTYDTCMTNS-QGZVFWFLSA-N 447.918 5.979 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccc(C)c(C)c3)c2)c1 2325706153 JHOXKSWQCUBIIG-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccccc4Cl)c3C)C2=O)c1 2325718269 NSQJOVGRJFBZMU-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2cccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)c2)c1 2325756726 SCXHHHSLXXFMFV-UHFFFAOYSA-N 426.556 6.581 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccccc3C)c2)c(OC)c1OC 2325787055 FYXGCGTVLWMIBK-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE C=C(C)CSc1nnc(COc2cc(F)ccc2F)n1N=Cc1ccc(C(C)C)cc1 2327460033 JPJNBNANWUFHRE-UHFFFAOYSA-N 442.535 5.809 30 10 IKEE C(=Nn1c(CCCOc2ccccc2)nnc1SCc1ccccc1)c1cccs1 2328744551 JDHRYBPKBOPOLN-UHFFFAOYSA-N 434.590 5.526 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2ccccc2C)cc1C 2328791257 XBJDHKPMDSHWBR-UHFFFAOYSA-N 442.588 5.957 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccc(C)cc3C)n2N=Cc2ccco2)cc1 2328872909 FABXBPAMHUFASF-UHFFFAOYSA-N 432.549 5.550 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccccn2)c(C)c1 2328880101 FQHRSDUTBXXRDN-UHFFFAOYSA-N 447.539 5.183 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)cc2C)n1N=Cc1cn(C)c2ccccc12 2328897222 CXOIQNRBSZSZTQ-UHFFFAOYSA-N 445.592 5.516 30 10 IKEE Fc1cccc(CSc2nnc(Cc3ccc(Cl)cc3)n2N=Cc2ccccc2)c1 2329085481 ZYZAPKAZJLNMCN-UHFFFAOYSA-N 436.943 5.836 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1ccc(C(F)(F)F)cc1 2329422037 OEMCIPOOOMOFAU-UHFFFAOYSA-N 444.526 6.055 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2cccs2)n1N=Cc1cccc(F)c1 2329636086 SPOYJJINLVQNCM-UHFFFAOYSA-N 436.581 5.747 30 10 IKEE C(=Nn1c(CC2CCCCC2)nnc1SCc1ccccc1)c1ccc2c(c1)OCCO2 2330270070 UXYDMZPPBKQYNA-UHFFFAOYSA-N 448.592 5.347 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)C=Cc1ccc(C(C)(C)C)cc1 2330467414 DYCOAUJSFDOHQR-VWLOTQADSA-N 448.582 5.065 30 10 IKEE C[C@@H](C(=O)Oc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-])c1ccccc1 2330632845 ZZWUKSBOQVUUIG-MRXNPFEDSA-N 446.415 5.108 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)C=Cc1ccccc1[N+](=O)[O-])[C@@H](C)CC 2330664497 BNVWSAPONYDQRS-GBXCKJPGSA-N 445.604 5.396 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2)c(Cl)c1)c1ccc(Br)cc1 2330887321 SPYPLFSSYQRVAW-UHFFFAOYSA-N 441.708 6.218 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 2330919375 HTQQQIMWFMQUIY-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)c(C)c3)c(Cl)c2)cc1 2330961109 OGLPCPRAEWGLCW-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CCCC2)c1 2331076184 NGTGRAMNCOFKPW-UHFFFAOYSA-N 441.000 6.162 30 10 IKEE Clc1ccccc1CSc1nnc(C2CCCC2)n1N=Cc1c[nH]c2ccccc12 2331076217 VDGFAOXBDUNQQL-UHFFFAOYSA-N 435.984 6.245 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CC3CCCCC3)c([N+](=O)[O-])c2)cc1 2331200472 AWJQWKNNRJJKCG-UHFFFAOYSA-N 437.492 5.765 30 10 IKEE Cc1ccc(CSc2nnc(C(C)(C)C)n2N=Cc2ccc(C(F)(F)F)cc2)cc1 2331360133 GWDGCOAFXHMUFK-UHFFFAOYSA-N 432.515 6.077 30 10 IKEE Cc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2[N+](=O)[O-])c1 2331417299 DAKWDKRKODDINO-UHFFFAOYSA-N 443.499 6.316 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCC3)n2N=Cc2c(F)cccc2Cl)c1 2331523758 VVCZSESRLFPHDB-UHFFFAOYSA-N 428.964 6.129 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccncc2)c(Cl)c1 2331548661 QPDVCYKCEVZKAP-UHFFFAOYSA-N 449.934 6.156 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3)cc2)cc1C(C)C 2331571445 LAJGOXUBIDHGKB-UHFFFAOYSA-N 428.528 6.171 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)c(OC)cc2OC)cc(Cl)c1OC(C)=O 2331698589 RWJDMDWCOOHYQT-UHFFFAOYSA-N 439.291 5.231 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)C(F)(F)F)c(OC)c2)cc1Cl 2331814890 QXXVMLNPBDGASW-UHFFFAOYSA-N 449.208 5.374 30 10 IKEE CC1(C)OB(/C=C/c2ccc(NC[C@@]34CC[C@H]3CN(Cc3ccccc3)C4)nc2)OC1(C)C 2365062574 MCDDVWCYQLZDDY-HFRKSLPGSA-N 445.416 5.050 30 10 IKEE O=C[C@]1(Cc2ccc(I)c(Br)c2)CCCCC12CCC2 2377341965 DGAXQEZOVQHJLH-QGZVFWFLSA-N 447.154 5.526 30 10 IKEE CC(C)COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(OC(C)C)cc2)cc1 20881833 TYZDCDMEUGLVJL-URXFXBBRSA-N 447.575 5.513 30 10 IKEE CN(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(O)c2)cc1 21252190 DRHOVXVFKRINFN-UZTOHYMASA-N 425.532 5.438 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCc4ccc(Cl)cc4Cl)ccc3C2=O)cc1 33365275 IPVBYVKEICZAGW-KSEXSDGBSA-N 425.311 6.751 30 10 IKEE COc1cccc(/C=C\C(=O)c2ccc(OC(=O)N(c3ccccc3)c3ccccc3)cc2)c1 34955749 PVARLQJLESAIRH-HKWRFOASSA-N 449.506 6.928 30 10 IKEE N#Cc1cccc(CSc2nc(Oc3ccc4c(c3)OCO4)cc(-c3ccccc3)n2)c1 36349471 MVKLEDWYCAQLBQ-UHFFFAOYSA-N 439.496 5.829 30 10 IKEE CCCCCn1c(O)c(/N=N/c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c(C)c(C#N)c1=O 39871331 ARCMIXUICMAZLN-OCOZRVBESA-N 437.378 5.267 30 10 IKEE COc1ccc(CN2COc3cc(C)c4c(c3C2)O/C(=C\c2cccs2)C4=O)cc1OC 41645174 YLOFFURJKSUYBI-JJFYIABZSA-N 449.528 5.042 30 10 IKEE CCCc1cc(C(=O)Nc2ccc(S(=O)(=O)/N=C(/C)O)cc2)cc(CCC)c1CCC 58902702 MFNFCEUDGMJSKD-UHFFFAOYSA-N 444.597 5.462 30 10 IKEE C=C(C)COc1ccccc1NC(=O)CNc1ccccc1OCCCc1ccccc1 66064151 QNGLCZATNMYJMJ-UHFFFAOYSA-N 430.548 5.704 30 10 IKEE Cc1cc(C)c(O)c(/N=C/c2cc(Cc3ccccc3Cl)cc(Br)c2O)c1 100132114 YWDKKANSXIBPNY-BRJLIKDPSA-N 444.756 6.472 30 10 IKEE CCCCCCCc1c(C)nn(C(=O)COc2ccc(Cl)cc2Br)c1C 100458574 RXKHPOMKNMJCCE-UHFFFAOYSA-N 441.797 6.148 30 10 IKEE COc1ccc(-c2cc(NC(=O)[C@H](C)Oc3cccc(C#N)c3)ccc2OC(F)F)cc1 108986279 LQMRAMNLNXLHQI-HNNXBMFYSA-N 438.430 5.241 30 10 IKEE COc1cccc(/C=N\n2c(C)nnc2SCc2ccccc2)c1OCc1ccccc1 138211471 IGTQIQDHYKQLBS-QQXSKIMKSA-N 444.560 5.349 30 10 IKEE CCOc1cc(/C=N\n2c(S)nnc2-c2ccco2)ccc1OCc1cc(C)ccc1C 169913344 OCTMNJIIEMKUNE-QFEZKATASA-N 448.548 5.304 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2cc(C)cc(C)c2)c1 169929981 AJMZPSCLCFPZDG-RUZDIDTESA-N 441.527 5.712 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccc(OC)c2)cc1 169930779 YXLBJQDPVAVTOR-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc(C)c(C)c2)=C(O)C(=O)N1c1cc(C)ccc1C 169943621 DHTXPVIMEXLIHC-VWLOTQADSA-N 441.527 5.712 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccc(O)cc2)cc1 169960495 XLHXBSZXJYOZSN-DEOSSOPVSA-N 427.500 5.354 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccccn2)c1 169990651 CDOUEOOVELRYDK-QHCPKHFHSA-N 440.455 5.009 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2c[nH]c3ccccc23)s1 170073854 LYYDOCFNSLKYTC-FQEVSTJZSA-N 447.491 5.163 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(OC(C)C)cc2)[C@@H]1c1ccco1 170095049 MKIKMIJCAJTEIV-HSZRJFAPSA-N 447.487 5.167 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccc(C)c2)cc1OC 170142021 WXUSBDPTXCYYIW-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccc1OC(C)C 170150976 CBKCCNDEFRPUQI-RUZDIDTESA-N 443.543 6.005 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2cccs2)cc1C 170160094 MCURRARULGAVKT-JOCHJYFZSA-N 449.528 5.247 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@H]1c1ccccc1 170225435 VFPQAVGAIJTSNX-DEOSSOPVSA-N 441.527 5.712 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccccc2)c(C)c1 170228171 FDHQREKENQECEU-RUZDIDTESA-N 441.527 5.874 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(F)cc2)c(C)c1 170238135 HSJPNGNXJKRPQJ-JOCHJYFZSA-N 435.426 5.065 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(C(C)C)cc1 170245868 LAYRJWNVEHMGAE-JOCHJYFZSA-N 436.508 5.487 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccc2F)cc1 170248546 STIHOHWUOISGRJ-HSZRJFAPSA-N 431.463 5.316 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1ccccc1C 170271667 FXJMSXGXDHYITB-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2sccc2C)c1 170314494 ABQGVCYTPRJERM-NRFANRHFSA-N 449.528 5.334 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2sccc2C)cc1C 170314991 NLBCJFJANZEYRJ-OAQYLSRUSA-N 433.529 5.547 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc(OCC(C)C)cc2)=C(O)C(=O)N1C1CCCC1 170319666 ZVVBIVHUDHWBOJ-NRFANRHFSA-N 439.577 5.612 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)cc1)c1ccco1 170339856 XKNHBHUDTYCCSH-SFHVURJKSA-N 430.243 5.075 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cccc(NC(C)=O)c2)cc1 170393619 VZGPVCZWTJQUDL-QFIPXVFZSA-N 446.528 5.052 30 10 IKEE N#Cc1c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])oc(-c2ccccc2)c1-c1ccccc1 170494125 HCVMYRHYPBZVLV-UHFFFAOYSA-N 443.846 6.299 30 10 IKEE CCCCCCCCCCCCSc1ccc(Sc2ccccc2CC#N)cc1 205173281 FZBYNMRGKBATMO-UHFFFAOYSA-N 425.707 8.917 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 226843754 ASJJSQLKZJXIRK-FHAGJXEFSA-N 430.419 8.169 30 10 IKEE COc1ccc(/C=C2/C[C@@H]3[C@H]4CC=C5C[C@H](OC(C)=O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cc1 252512538 RZZSYQOCHYTRMK-ZGVCLOOASA-N 448.603 6.152 30 10 IKEE Cc1ccc(C(=O)[C@@H]2[C@H](c3ccc(F)cc3)C(C#N)(C#N)[C@@H]3c4ccccc4C=CN23)cc1 252591170 AYHFYRCMZUUNLD-KLJDGLGGSA-N 433.486 5.544 30 10 IKEE CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)SC1=Nc1cccc(C(C)=O)c1 254381508 RVJTWKGUORAROP-JSYGVCDLSA-N 437.590 5.663 30 10 IKEE CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3C(=N[N+](=O)[O-])C[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]12C 254789619 VIIVBTDLDAKMPX-QYTVVGNXSA-N 430.677 7.740 30 10 IKEE C=CCN/C(S)=N/N=Cc1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1 254865700 KWPNXAVFAKPRIA-UHFFFAOYSA-N 437.572 5.602 30 10 IKEE C=CCN(C[C@@H](Cc1c(F)ccc(Br)c1F)NCCC)C(=O)OC(C)(C)C 407408609 LNEHEMUHHQSPAS-CQSZACIVSA-N 447.364 5.061 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccc(Cl)c(Cl)c1 526816901 PHARLJZLYVNRIZ-KSEXSDGBSA-N 439.799 6.365 30 10 IKEE CCOc1ccc2ccccc2c1/C=N\n1c(C)nnc1SCc1ccc(C#N)cc1 526822971 PSFXUATYIYZLOY-YSMPRRRNSA-N 427.533 5.185 30 10 IKEE CCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1cccc(OC(C)C)c1 526828770 LTMVJPLXBXGJPG-UCQKPKSFSA-N 439.541 5.101 30 10 IKEE C[C@H](c1ccccc1)N(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586135183 XPNWXJUWDNEQNS-MRXNPFEDSA-N 445.371 5.817 30 10 IKEE CCOc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2cccc(SC)c2)cc1 586253019 YNEHKSILRUXFHL-UHFFFAOYSA-N 438.574 5.074 30 10 IKEE N#Cc1cc(Br)ccc1Nc1cc(Br)cc(Br)c1 690319704 DRLQQQWGPPHDMI-UHFFFAOYSA-N 430.925 5.589 30 10 IKEE CCCCCCCCC[C@@H](O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 696197498 NHAUOVWSOALTHS-LJQANCHMSA-N 428.411 6.970 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2ccc(C)c(Br)c2C)cc1 719633451 MWTAJBWEOBYAIL-LJQANCHMSA-N 429.358 6.381 30 10 IKEE CCCCOc1ccc(C(=O)Nc2c(C)cc3nc(NN=C(C)CC)sc3c2C)cc1 1081377945 JBSHWGCPFVTRFO-UHFFFAOYSA-N 438.597 6.542 30 10 IKEE CC(=O)O[C@H]1CC[C@@]2(C)[C@@H]3CC[C@]4(C)[C@H](C[C@@H]5CCCC[C@]54C(C)=O)[C@H]3C[C@H]3O[C@]32C1 1565538506 UOCUEIOMIAYZNI-MSDNQYBNSA-N 428.613 5.468 30 10 IKEE CC(=O)Oc1cc(OCCCCCc2ccccc2)cc2c1C1=CC(=O)CC[C@H]1[C@H](C)N2 1615946020 ZXCKFUKLDOXABH-MBSDFSHPSA-N 433.548 5.580 30 10 IKEE CN(C)c1ccc(/C=C2/SC(=Nc3ccncc3Cl)N(c3ccccc3)C2=O)cc1 1772737108 NKSYNFMSCQOAJI-OMYHDSEFSA-N 434.952 5.610 30 10 IKEE COc1cccc(/C(C)=C2\SC(=Nc3cccc(C(=O)O)c3)N(c3ccccc3)C2=O)c1 1772737213 PDMGQNBCONFEPN-JUQJSGDGSA-N 444.512 5.592 30 10 IKEE Cc1c(C(=O)Oc2cccc3cccnc23)oc2c1C(=NNc1ccc(F)cc1)CCC2 1772750488 BRRKTQASIVLWIB-UHFFFAOYSA-N 429.451 5.647 30 10 IKEE Cc1ccc(/C=C/C(=O)Oc2ccc(C3=CCN(C(=O)c4cccc(C#N)c4)CC3)cc2)cc1 1860684274 CNKBUWFDKIJFFR-NTEUORMPSA-N 448.522 5.415 30 10 IKEE CCCOc1ccc(/C=C/C(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OC 1860728255 FKPLYMOFFFKTJN-XBXARRHUSA-N 441.833 5.377 30 10 IKEE CCCCCCOc1ccc(NC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)cc1 1860749975 ITAZNTHMGYWYRC-UHFFFAOYSA-N 427.570 5.454 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](C)NC(=O)CCCOc1ccc(C(C)(C)C)cc1 1861687185 ATNLSOPKOXVUSI-JOCHJYFZSA-N 446.676 5.905 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CC(C)C)cc1 1862385750 XGMBKFOLPBLCLP-IBGZPJMESA-N 434.319 5.236 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2cccc(C)c2)cc1 1862389266 BMTROCDOILSCRT-UPVQGACJSA-N 433.548 5.095 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1cccc(F)c1 1862413373 AWUOXPFTUIFVQA-WHIIXXIBSA-N 429.438 5.261 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2cccc(Cl)c2)cc1 1862476709 NHEBRJCPYOSPOB-DEOSSOPVSA-N 445.946 5.860 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 1862480042 WHTUXQIZPCXZBI-HSZRJFAPSA-N 435.564 5.033 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862487389 ZLASKTIMBZKYGR-XMMPIXPASA-N 429.491 5.529 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)cc1 1862489547 XIACYXYNEPBLQO-KUWBRRTOSA-N 433.548 5.469 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1cccc(OC)c1 1862529901 KZOWWWCDVUEECV-RCZVLFRGSA-N 449.591 6.195 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 1862533106 KLUVQCVKBVBLKG-QHCPKHFHSA-N 431.919 5.681 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc2c(c1)OCCO2 1862536861 JEMUVDQFMKAWEH-XMMPIXPASA-N 449.547 5.179 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cc(Cl)cc(Cl)c2)cc1 1862538162 JDBIYROARIWNED-NRFANRHFSA-N 444.358 6.077 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2Cc2ccccc2)cc1 1862543791 OWSRESLKMHUUAV-SANMLTNESA-N 437.539 5.652 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2)cc1 1862614648 DYODJDSKWXCZDL-QFIPXVFZSA-N 431.557 5.824 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccccc2C)cc1F 1862638853 LQPHVJDDHOQNMR-XMMPIXPASA-N 449.522 5.612 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccc1 1862648663 HRBMLYFQBDQEGW-SANMLTNESA-N 441.571 6.779 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccccc1)c1cccc2ccccc12 1862648716 IRYXZHOESURAQL-AREMUKBSSA-N 433.507 5.661 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)c1 1862676786 RBEREMRGFLGMDV-BXKMTCNYSA-N 445.490 5.564 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@H]2c2ccc(C)cc2)cc1 1862688233 VDKLKNMCVMTZNU-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2cccc(OC)c2)cc1 1862688665 YQJBDPLOPSWEEH-XMMPIXPASA-N 447.531 5.173 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccccc3C(C)(C)C)C2=O)cc1C 1862886113 XXDVLOLMWPDDID-UHFFFAOYSA-N 449.554 5.869 30 10 IKEE CC(C)Oc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 1863357351 IUMZZLYYDNSLBQ-FDDCHVKYSA-N 443.547 5.116 30 10 IKEE CCCCCCCCNC1=C(c2ccc(F)cc2)C(=O)N(Cc2ccc(Cl)cc2)C1=O 1863504047 SGGYWPAFYQCRTB-UHFFFAOYSA-N 442.962 5.709 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 1865858707 HUSBFOSGEJGDBX-UHFFFAOYSA-N 432.907 5.547 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N1CCC(c2ccccc2F)CC1 1866342281 HIQDQWJKUUXPBZ-UHFFFAOYSA-N 445.707 8.793 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)nc(CCOC)n1 1869119343 DPJRMOQSLIWDMP-HXUWFJFHSA-N 446.517 5.204 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC[C@H]2c2ccc(C(F)(F)F)cc2)nc(CCC)n1 1869227963 XBQVXCXEZPSPRU-FQEVSTJZSA-N 430.518 5.968 30 10 IKEE CCCCCCCCCCn1cc(OCc2cc(Cl)cc3c2OCOC3)c(=O)cc1C 1870096229 QLSBSQCIOXKPPF-UHFFFAOYSA-N 448.003 6.396 30 10 IKEE CCCCN(CCC)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1Cc1ccccc1 1870348734 KIYGRKMUQGWWDF-UHFFFAOYSA-N 443.591 5.359 30 10 IKEE C=CCOc1cn(CCc2c[nH]c3ccccc23)c(CN(CCCC)CCCC)cc1=O 1870386551 UUKOBGGHOAIXPU-UHFFFAOYSA-N 435.612 5.539 30 10 IKEE C=CCOc1cn(Cc2cccc(C)c2)c(CNc2ccc(Cl)c(Cl)c2)cc1=O 1870809795 WKNXLKXOTMAGEG-UHFFFAOYSA-N 429.347 5.689 30 10 IKEE CCCCCCCOc1cn(CCC(C)C)c(CNc2cc(Cl)ccc2C)cc1=O 1870833434 ISXVMJNIFVXPIA-UHFFFAOYSA-N 433.036 6.818 30 10 IKEE CCCCCCCOc1cn(CCN(CC)CC)c(CNc2ccccc2CC)cc1=O 1870837810 ZITGYJPGHZKMMZ-UHFFFAOYSA-N 441.660 5.714 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(N(C)C)cc1)C3=O)CN([C@@H]1CCCC[C@@H]1C)CO2 1871355491 BDEVAFHLLCDFFE-MDGLVFJNSA-N 432.564 5.408 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(C)c(C)c4)cc(C)c3C2=O)cc1 1871372232 GUHNPNIYFWAZOT-OYKKKHCWSA-N 428.484 5.846 30 10 IKEE Cc1c(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(Cl)cc2)C3=O)cccc1[N+](=O)[O-] 1871373795 UFSDUQSWSDZXBC-MTJSOVHGSA-N 449.846 5.700 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)cc(C)c3C2=O)cc1 1871375176 XEVXHEVSMATKMQ-RQXPBMLRSA-N 446.886 5.892 30 10 IKEE O=C(/C=C/c1cccs1)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 1871380142 YUDRPOACGXIQIM-NZCXTDTASA-N 443.307 6.290 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(F)c2)C3=O)c1 1871411218 GVIMWCNOVNFGLH-WTZXFZKGSA-N 445.490 5.773 30 10 IKEE COc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccc(C)cc1)C2=O 1871411943 MTGYJSICHKOVFG-BEXDPUPVSA-N 443.499 5.334 30 10 IKEE Cc1c(OCc2ccc(C#N)cc2)ccc2c1O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 1871417669 PORJQOVAKVGHTP-QRQIAZFYSA-N 443.502 6.729 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccccc1F)C2=O 1871430663 MJJZZIYKJGQBHC-VLZFXTDASA-N 445.490 5.773 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O)Nc1nccs1 1871442767 TZBWMCNHSYMWCA-IDUWFGFVSA-N 447.299 5.084 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(C(C)(C)C)cc2)cc2c1C(=O)/C(=C/c1ccco1)O2 1871445033 HEOBAAZXKDFHLJ-XKZIYDEJSA-N 431.488 5.519 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2sccc2C)C3=O)c1 1871453956 AKJOSPZIWCYRGD-MTJSOVHGSA-N 433.529 5.615 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1C 1871459762 BXALNJGZKTWCQD-CFRMEGHHSA-N 427.500 5.554 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(OC)cc2)[nH]c(N(CCC)CCCC)n1 1871561201 AQFKXCGEZCGYMR-UHFFFAOYSA-N 442.652 5.835 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1C(C)C)c1ccccc1)S(=O)(=O)CCC 1872456654 PUHCTDRMDRIWBZ-HSZRJFAPSA-N 428.598 5.108 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1cc(C)ccc1C 1872555284 PZOXXHKFWGWGMO-QHCPKHFHSA-N 442.625 5.294 30 10 IKEE CCCCCCCCNC(=O)c1ccc2nc(-c3ccccc3OCCCCC)[nH]c2c1 1872735848 CLYSNWMCEFNEKA-UHFFFAOYSA-N 435.612 6.889 30 10 IKEE COc1ccc(C)cc1-c1csc([C@@H](C#N)C(=O)[C@@H](C)Oc2ccccc2C(C)C)n1 1872771147 NDOVEXFDYNQGFZ-XLIONFOSSA-N 434.561 5.894 30 10 IKEE N#C[C@H](C(=O)COc1cc(Cl)ccc1Cl)c1nc(-c2c[nH]c3ccccc23)cs1 1872777032 DTJAQNYMFOTQSB-CQSZACIVSA-N 442.327 5.853 30 10 IKEE CCCCCCCCNC1=C(c2cccc(Cl)c2Cl)C(=O)N(C2CCCC2)C1=O 1873129040 AQEZYEWSMAYRSL-UHFFFAOYSA-N 437.411 5.966 30 10 IKEE C=CCN1C(=O)C(Nc2cc(Cl)ccc2Cl)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873276509 LAULZWNKLZRYPV-UHFFFAOYSA-N 449.337 6.038 30 10 IKEE CCCCOc1ccc(/C=N/Nc2oc([C@@H]3C[C@@H]3c3ccccc3)nc2C#N)cc1OCC 1873470791 QUZSXLWIMDWMQF-XIVOGXDVSA-N 444.535 5.841 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C)c2C)cc2c(NCc3cccc(C)c3)ncnc21 1873617991 SYHZGHHACTZMGZ-UHFFFAOYSA-N 425.536 5.407 30 10 IKEE CCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1/N=C/c1cccc(O)c1 1874192963 RUQCJTWISVXGND-ZVHZXABRSA-N 444.988 5.260 30 10 IKEE CCSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1ccccc1O 1874197131 UMAAIHYKVKVLSX-KOEQRZSOSA-N 432.549 5.143 30 10 IKEE CCOc1ccc(OCc2nnc(SC)n2/N=C/c2c(Cl)cccc2Cl)cc1 1874234356 DWUDPFHZWFGJCU-SSDVNMTOSA-N 437.352 5.167 30 10 IKEE C=CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1cccc(Cl)c1 1874245006 UECBQKAQSZHZHI-MFKUBSTISA-N 427.017 5.851 30 10 IKEE Cc1cccc(CSc2nnc(Cc3cccc4ccccc34)n2/N=C/c2ccccn2)c1 1874270804 PHBUXPDYFDMIIB-RDRPBHBLSA-N 449.583 5.900 30 10 IKEE CCCSc1nnc(Cc2ccc(OCC)cc2)n1/N=C/c1c(Cl)cccc1Cl 1874304170 LKJVDEYNIUIOJO-ZVHZXABRSA-N 449.407 5.959 30 10 IKEE Cc1cccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2cccc(O)c2)c1C 1874323317 JEPLLXKCCBPFMD-CVKSISIWSA-N 444.560 5.354 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc[nH]1 1874363663 QDPQIDVTERRBIU-CVKSISIWSA-N 435.984 5.528 30 10 IKEE C=CCSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1ccc(OCC)c(OCC)c1 1874389755 DCNQHDOFFABZER-KOEQRZSOSA-N 436.581 5.135 30 10 IKEE Cc1ccccc1CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1sccc1C 1874392007 AUBRHYBRAWWFAQ-KWXFCVSUSA-N 432.618 6.283 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(Cc2ccccc2)n1/N=C/c1ccccc1 1874420250 XWPMKDIZTUKNLV-CVKSISIWSA-N 436.943 5.836 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2-c2cccs2)cc1O 1874424015 PXSJIQMURVKJGR-SSDVNMTOSA-N 442.953 5.246 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CCCC2)c1 1874457190 FHVIOSLZUKNPBA-ZMOGYAJESA-N 426.973 5.778 30 10 IKEE CCCOc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2cccc(F)c2)cc1 1874487575 DRWURINQLRGZAZ-MFKUBSTISA-N 426.561 5.579 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1cccc(O)c1 1874492360 KCRLOABQEWJCEW-FOKLQQMPSA-N 435.380 5.664 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2ccc(C(C)C)cc2)cc1 1874493882 JDNIVTUKVBNOBU-CVKSISIWSA-N 447.608 5.590 30 10 IKEE COCc1nnc(SCc2ccccc2C)n1/N=C/c1c(OC)ccc2ccccc12 1874500321 MUXLQYPALFPXGF-AFUMVMLFSA-N 432.549 5.069 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(F)cc1F 1874511374 VQHDOTPLTXCUMJ-YSURURNPSA-N 441.334 5.990 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(OC)c1OCc1ccccc1C 1874609218 FHESRQHWXJOOIM-LFIBNONCSA-N 428.528 6.216 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)ccc1F 1874618461 BYHLKIBIEMINFN-KRXBUXKQSA-N 449.736 7.569 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(OC)c1OCc1cccc(F)c1 1874620098 IUHHEKFDZNSSEP-FMIVXFBMSA-N 434.482 6.485 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc(Br)c1OCC 1874638323 UJZBFYWNNFKPPT-VMPITWQZSA-N 444.152 6.449 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1OC(=O)c1cccc(F)c1 1874692547 MMOYFWDMVNMJNH-UKTHLTGXSA-N 426.443 6.103 30 10 IKEE CCOc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3cc(C)cc(C)c3OC)c2)cc1 1874713074 FMSDZTOMDVTDGW-NTEUORMPSA-N 430.500 5.826 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2cccc(OC(=O)CC3CCCCC3)c2)cc1Cl 1874713644 HSCJSRFYLSBLFM-VAWYXSNFSA-N 442.939 6.129 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1OC 1875081049 ZKHJHCWQQIYDAK-LFIBNONCSA-N 448.946 7.007 30 10 IKEE O=C(Cc1cccs1)Oc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1Cl 1875085170 SFKRSJRZMQHMBT-SOFGYWHQSA-N 427.865 5.354 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OC(=O)c1cccs1 1875096816 GNDXGAYQMUAYKS-FMIVXFBMSA-N 448.540 5.759 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3Cl)cc2[N+](=O)[O-])cc1 1875113756 WQCKAODKWJUBFE-UKTHLTGXSA-N 435.863 5.926 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1sccc1C 1875116248 RPDNNPNLSVMBRN-ONNFQVAWSA-N 437.473 5.479 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)c1cccnc1 1875120143 DVRIZFHWOWYJAD-QPJJXVBHSA-N 429.806 5.137 30 10 IKEE O=C(COc1ccc(Cl)cc1)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1[N+](=O)[O-] 1875127235 UOZOJNQPVOWEBB-WUXMJOGZSA-N 437.835 5.129 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(Cl)c3)c(Cl)c2)cc1 1875129957 BOUNDFQMHLBXQM-WUXMJOGZSA-N 441.310 6.507 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)c1ccccc1 1875133717 INDRQMADOFXQKJ-FYWRMAATSA-N 426.512 6.156 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)c1cccc(F)c1 1875140030 MLRVYBOTNRBLMU-OUKQBFOZSA-N 444.502 6.295 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)cc3)c(Cl)c2)cc1F 1875152733 IIKRQWINHIJDRY-RUDMXATFSA-N 442.845 5.671 30 10 IKEE Cc1cncc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc4ccccc34)cc2Cl)c1 1875154933 FETDOIZVGLYFLP-PKNBQFBNSA-N 427.887 6.312 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2ccc(C)c(C)c2)cc1 1875182366 ZWJDYORIIIWLKE-FMIVXFBMSA-N 448.946 6.318 30 10 IKEE O=C(CCc1cccc(-c2ccccc2)c1)NCC#CCOc1cccc(C(F)(F)F)c1 1891682303 ZYNBEOBJMQEKSO-UHFFFAOYSA-N 437.461 5.504 30 10 IKEE C=C(COCc1ccccc1)[C@H](N)[C@@H](O)c1ccc(-c2ccccc2Br)s1 1922066144 ROWNHICLXNWPNM-VXKWHMMOSA-N 444.394 5.311 30 10 IKEE C=C([C@H](NCCC)[C@H](O)c1scc(Br)c1Br)[Si](C)(C)C 1922918660 PUKCJGLUWPCCOH-STQMWFEESA-N 441.305 5.108 30 10 IKEE CC1(NC(=O)OC(C)(C)C)CCC(C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)CC1 1940836164 HCACVXAAXFPZKY-UHFFFAOYSA-N 449.617 5.605 30 10 IKEE CCC[C@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1C 1945774339 SZQWGUXYXPQFPU-QUCCMNQESA-N 431.577 5.570 30 10 IKEE C=CCCCCC[C@@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 1947476081 JIJKDDYOKTWOTF-BJKOFHAPSA-N 432.649 5.991 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)CC1(C)C 1949561660 RXWKTHTWNFGHJF-QHCPKHFHSA-N 433.524 5.249 30 10 IKEE C=C(COCc1ccccc1)[C@H](NC)C1CCC2(CC1)CC(NC(=O)OC(C)(C)C)C2 1996365751 MWPAETVUUZUKSS-OFXVJIJHSA-N 428.617 5.211 30 10 IKEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2033647068 ZOIYJGUYKBMOPJ-YLJYHZDGSA-N 449.567 5.646 30 10 IKEE N#CCCn1cc(C=CC(=O)N2CCc3sccc3[C@@H]2c2cccs2)c2ccccc21 2040483142 KVDBIEOUNMXMCL-RUZDIDTESA-N 443.597 5.865 30 10 IKEE COc1ccc(C=C2CN(Cc3ccccc3)C/C(=C\c3ccc(OC)cc3)C2=O)cc1 2059968888 PUPGKKCPLWYJLH-OUVFPFSWSA-N 425.528 5.256 30 10 IKEE CCCOc1ccc([C@@H](n2nc(C3CCC3)c(C=NO)c2Br)C2(C)CC2)cc1 2080063918 LKOPDGUEUFCXLH-HXUWFJFHSA-N 446.389 5.900 30 10 IKEE Cc1nn(C(F)(F)F)c(I)c1-c1ccc(C(F)(F)F)cc1F 2080758605 DZMSHSIWTWHWGS-UHFFFAOYSA-N 438.084 5.097 30 10 IKEE CC(C)[C@H](C)[C@@H](CNc1cc(Br)c(C#N)cc1F)NC(=O)OC(C)(C)C 2106007079 RIFUGHPPAXDFLY-YVEFUNNKSA-N 428.346 5.057 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NC)c2c(F)cc(C)cc2Br)C1 2126625646 GARXODBBFSWDCY-KRWDZBQOSA-N 427.358 5.018 30 10 IKEE C=C([C@@H](NCCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(C)(C)C 2134732714 YCSONEWWQLJOSI-GDLZYMKVSA-N 443.631 7.488 30 10 IKEE CN(Cc1ccc(CNc2ccc(C#N)c(Br)c2)cc1)C(=O)OC(C)(C)C 2162335433 PUBOUCQORQJVBJ-UHFFFAOYSA-N 430.346 5.300 30 10 IKEE N#Cc1c(F)cc(Br)cc1NC[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2163709847 YYKDTXIHDAQQQV-LUPIEILUSA-N 428.349 5.315 30 10 IKEE CC(C)N(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cccc(Br)c1C#N 2174813523 XJSMIUZGKOGVOI-INIZCTEOSA-N 436.394 5.183 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](CNc2cccc(Br)c2C#N)[C@@H]2CCCC[C@H]21 2179391322 BKFBIDMLTINFJJ-YZVOILCLSA-N 434.378 5.158 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@@H](C#N)c1sc(Cl)cc1Br 2259914338 MCPLAHYEBDOFRN-ZDUSSCGKSA-N 445.741 6.309 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCCC)c2sc(Br)c(C)c2C)C1 2265931239 AYOSGIRPHJADHX-INIZCTEOSA-N 443.451 5.782 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C(=O)C#Cc2cccc(Br)c2)cc1Cl 2278745269 YVMGMNYSMIOULI-UHFFFAOYSA-N 434.717 5.684 30 10 IKEE C=CCCC1([C@@H](NCC)c2ccc(F)cc2Br)CN(C(=O)OC(C)(C)C)C1 2281033520 UYMXVACMNWCKRS-SFHVURJKSA-N 441.385 5.442 30 10 IKEE C=CCCC1([C@@H](NC)c2c(F)cc(F)cc2Br)CN(C(=O)OC(C)(C)C)C1 2281057209 ZCXWDVSLSIDMEF-KRWDZBQOSA-N 445.348 5.191 30 10 IKEE C=C(COCc1ccccc1)[C@@](C)(OCCC(=O)O)c1ccc(Br)cc1F 2292205506 YJECHAWTDVQKKG-OAQYLSRUSA-N 437.305 5.068 30 10 IKEE Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1Cl 2296125867 RGPZFPVPVVZFBS-NRFANRHFSA-N 448.862 5.183 30 10 IKEE CCOc1cc(C=C2C(=O)ON=C2C)cc(Br)c1OCc1ccc(C)cc1 2297314834 WRMSIYKMMAFMCP-UHFFFAOYSA-N 430.298 5.051 30 10 IKEE C=CCSC1=NC(=Cc2ccc(OCC)c(OC)c2)C(=O)N1c1ccc(OCC)cc1 2297337888 SFMWRCRSXGDCQE-UHFFFAOYSA-N 438.549 5.156 30 10 IKEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)CCC(F)(F)C[C@H]1OCc1ccccc1 2305403279 MSHAXPBXORNIGJ-RDGATRHJSA-N 429.507 5.293 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2313012433 FDVJHXYMFULBNR-QNRRCFITSA-N 441.572 5.404 30 10 IKEE Cc1ccc(N=C2NC(=O)C(=Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)S2)cc1C 2313511330 BTLOENCEQOACHC-UHFFFAOYSA-N 435.980 6.256 30 10 IKEE CCc1ccc(C=C2SC(=Nc3ccncc3Cl)N(C3CCCCC3)C2=O)cc1 2314543176 XJOHZVKHPRMAJW-UHFFFAOYSA-N 425.985 6.234 30 10 IKEE N#Cc1ccc(Cl)cc1Oc1cc(Br)cc(I)c1 2316850993 IRAKZJQDELXYLS-UHFFFAOYSA-N 434.458 5.371 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1cccc(Br)c1 2318575005 XWNXCKQXHKEVGS-UHFFFAOYSA-N 443.414 5.784 30 10 IKEE O=C1C(=Cc2ccco2)Oc2c1ccc1c2CN(C(c2ccccc2)c2ccccc2)CO1 2322164883 SLMSXUVNVIBGEU-UHFFFAOYSA-N 435.479 5.837 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1cccc(F)c1)O3)CN(C13CC4CC(CC(C4)C1)C3)CO2 2322238701 RTVJUZMIFYODDF-UHFFFAOYSA-N 445.534 5.871 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1c(OCc2cccc(Cl)c2)ccc2ccccc12 2322638454 BDQYUVHKQDUCJQ-UHFFFAOYSA-N 442.942 7.285 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)c3ccccc3Br)cc(C)c2C1=O 2322714804 RFNRNRHOKJNILY-UHFFFAOYSA-N 449.300 5.901 30 10 IKEE Cc1c(OC(=O)Cc2ccc(Cl)cc2)ccc2c1OC(=Cc1ccc(C(C)C)cc1)C2=O 2322900931 ASLJNQLRDXAEBV-UHFFFAOYSA-N 446.930 6.536 30 10 IKEE O=C(C=Cc1ccccc1OCc1cccc2ccccc12)c1cc(Cl)ccc1Cl 2322999084 BCMUDLBSQOWCLX-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE Cc1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2323063576 JBGGDUHGJKRWQX-UHFFFAOYSA-N 430.887 6.192 30 10 IKEE Cc1cc(OC(=O)COc2ccc(Cl)cc2Cl)cc2c1C(=O)C(=Cc1ccco1)O2 2323092526 HBQRWPAFRMHJHI-UHFFFAOYSA-N 445.254 5.495 30 10 IKEE Cc1ccc(COc2ccccc2C=NNS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 2323353743 IKNFKGXBQDSMLN-UHFFFAOYSA-N 449.359 5.193 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 2323485243 DNLJPLWQHXUYRA-UHFFFAOYSA-N 441.354 7.040 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3cccc(F)c3)c(Br)c2)cc1 2323628668 SIFIWLOHIGNLGQ-UHFFFAOYSA-N 441.296 6.072 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)c4cccc(OC(C)C)c4)c3C)C2=O)cc1 2323812628 MDNOANMUWFBOLV-UHFFFAOYSA-N 428.484 5.926 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1 2323823764 KTASQHPHVOIOAA-UHFFFAOYSA-N 442.511 6.434 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCc3ccc(C(=O)OCC)o3)cc2)cc1 2323921372 RRDSBGKIZDGTQY-UHFFFAOYSA-N 434.488 5.720 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(O)c3CN(C3CCCCC3)C3CCCCC3)C2=O)o1 2324044709 DQAHATCVAFGTHJ-UHFFFAOYSA-N 435.564 6.377 30 10 IKEE Cc1cc(O[C@H](C)C(=O)Nc2ccc(F)cc2)cc2c1C(=O)C(=Cc1ccccc1F)O2 2324317584 NNHQBOYSKXLALV-OAHLLOKOSA-N 435.426 5.295 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3)cc2)c(OCC)c1 2324490949 ZXBAFUPYCHQLAK-UHFFFAOYSA-N 445.515 5.398 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)cc1C 2324627255 SLFBLSKOLOJRGU-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc5ccccc5c4)cc(C)c3C2=O)o1 2324962965 UNLALYXQTTZVLV-UHFFFAOYSA-N 439.467 5.683 30 10 IKEE Cc1cccc(C=Nn2c(Cc3ccccc3)nnc2SCc2cc(C)ccc2C)c1 2325489409 XGYLEAJLFUUBQV-UHFFFAOYSA-N 426.589 5.969 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCC(=O)Nc4c(C)cccc4C)ccc3C2=O)cc1 2325493245 XRQHXGGMXOXVFO-UHFFFAOYSA-N 443.499 5.336 30 10 IKEE COc1ccc(CCOc2cc(C)c3c(c2)OC(=Cc2cc(OC)ccc2OC)C3=O)cc1 2325631476 BIMDWDBRXGGQBW-UHFFFAOYSA-N 446.499 5.259 30 10 IKEE CCCCc1ccc(NC(=O)C(=O)C=Cc2ccc(OCc3ccccc3)c(OC)c2)cc1 2325649628 YVLFANHDJUGTBK-UHFFFAOYSA-N 443.543 5.838 30 10 IKEE CCc1ccccc1NC(=O)COc1cc(C)c2c(c1)OC(=CC=Cc1ccccc1)C2=O 2325737660 USXHTMYQJOAAQT-UHFFFAOYSA-N 439.511 5.747 30 10 IKEE CSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1c[nH]c2ccccc12 2325882656 MUKQONPGJHDHPY-UHFFFAOYSA-N 441.560 5.528 30 10 IKEE CCOc1cc(C=Nn2c(C)nnc2SCc2cccc(F)c2)cc(Cl)c1OCC 2326728594 IDXHLSMICZCOLE-UHFFFAOYSA-N 448.951 5.351 30 10 IKEE CCCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(O)c(Br)c1 2326733750 MVHPRCFDZZFAIP-UHFFFAOYSA-N 449.349 5.012 30 10 IKEE CCCc1ccc(OCc2nnc(SCC)n2N=Cc2cccc3ccccc23)cc1 2327360602 FJOFNIMHVHUEMP-UHFFFAOYSA-N 430.577 5.957 30 10 IKEE CCCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccccc1[N+](=O)[O-] 2328075468 QXYQPFGWZLWPRG-UHFFFAOYSA-N 429.933 5.009 30 10 IKEE C=CCSc1nnc(COc2c(C)cccc2C)n1N=Cc1ccc(N(CC)CC)cc1 2328559411 CNEPQQJHPUEMBI-UHFFFAOYSA-N 449.624 5.480 30 10 IKEE Cc1ccc(OCc2nnc(SCc3cccc(F)c3)n2N=Cc2ccccn2)c(C)c1 2328895203 WHUIEGRTGYEPJN-UHFFFAOYSA-N 447.539 5.183 30 10 IKEE Cc1ccccc1C=Nn1c(Cc2ccc(Cl)cc2)nnc1SCCc1ccccc1 2329105256 XOTGWJOZGXIBGV-UHFFFAOYSA-N 447.007 6.048 30 10 IKEE COc1ccccc1C=Nn1c(Cc2ccccc2F)nnc1SCc1ccc(C)cc1 2329700863 KTAFEDINPLEGFF-UHFFFAOYSA-N 446.551 5.500 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2N=Cc2cccc(O)c2)cc1 2330022097 XKJOBURHKCVEAS-UHFFFAOYSA-N 448.979 5.711 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)C=Cc1ccc(OC)cc1)[C@@H](C)CC 2330128892 UPWOSYJVLMWUHX-SQJMNOBHSA-N 430.633 5.496 30 10 IKEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC(=O)c1ccc(C)cc1 2330623671 RMIQTVLPEKLLTI-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3Cl)cc2)cc1C 2330802272 WFHDREOPKDYZTN-UHFFFAOYSA-N 439.338 6.654 30 10 IKEE CCCOc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2cccc(F)c2)cc1 2330824566 NFQFLRCFRBJLBX-UHFFFAOYSA-N 440.588 5.969 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)c(C)c3)c(OC)c2)cc1 2330849528 GHIWICXMRFVUTA-UHFFFAOYSA-N 442.555 6.770 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2)ccc1OC(=O)c1cccc(OC)c1 2330874198 PWRNSTUMHRCTMW-UHFFFAOYSA-N 446.499 5.526 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2Cl)cc(OC)c1OC(=O)c1ccccc1C 2330949232 IAOXRGQBPVKSGV-UHFFFAOYSA-N 446.930 6.501 30 10 IKEE COc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2[C@@H]2CCCO2)cc1 2330979636 MGCTUJRLKYJGBY-QHCPKHFHSA-N 444.560 5.466 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2c(Cl)cccc2Cl)nnc1C(F)(F)F 2331145053 RGEUFNSNJHWAMI-UHFFFAOYSA-N 445.297 6.087 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)c1ccc(OCC)cc1 2331183038 CUJHKZOFXDJDKB-UHFFFAOYSA-N 442.511 5.938 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)c1[nH]c2ccc(C)cc2c1C 2331183779 LMVSIHSZZHTSFP-UHFFFAOYSA-N 425.484 5.909 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3)cc2OC)c1 2331293132 WEZIIYQMFMDNHQ-UHFFFAOYSA-N 446.499 5.065 30 10 IKEE COc1cccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C(C)(C)C)c1 2331402925 IJBVRTCUJAOJOB-UHFFFAOYSA-N 430.577 5.912 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2Cl)cc1 2331523259 LNMMVIFADMEBIB-UHFFFAOYSA-N 436.910 6.476 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)c2cccc(C)c2)cc1 2331545761 ZFOUCJHZRGTVRR-UHFFFAOYSA-N 428.528 6.416 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2c(F)cccc2Cl)cc1)c1cc(Cl)ccc1Cl 2331859751 XXLUUMCHWZXVDF-UHFFFAOYSA-N 449.692 6.901 30 10 IKEE CC(C)(C)OC(=O)NC[C@H](Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C(C)(C)C 2339596752 LLQRIJVAYWPHSV-JKGDOXCYSA-N 446.397 5.044 30 10 IKEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)CN(Cc2ccccc2)C2(CCCCCC2)C1 2350764135 RFHWELXDSUHVKK-GDLZYMKVSA-N 446.635 5.887 30 10 IKEE CCCN[C@@H](C#C[C@@H]1CC1(C)C)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2365089817 KUNKABMIZSNKQQ-QAPCUYQASA-N 435.406 5.886 30 10 IKEE C=CCCCCCCCCOc1cc(NC(=O)OC(C)(C)C)c(C)cc1Br 2370440220 MUDDLKIFZWHSLN-UHFFFAOYSA-N 440.422 7.400 30 10 IKEE C#CCN(C[C@@H](NCC)c1c(C)c(C)c(Br)c(C)c1C)C(=O)OC(C)(C)C 2372288793 TUTDLDJXYGGICA-GOSISDBHSA-N 437.422 5.204 30 10 IKEE CC(C)(C)OC(=O)N[C@]1(C)C[C@H]2CC[C@H]1C[C@H]2Nc1ccc(Br)cc1C#N 2380857462 WFJNKURCBZZLSZ-SWQHDHIYSA-N 434.378 5.205 30 10 IKEE O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@H](c1cccc3ccccc13)Nc1ccccc1N2 20885692 ONRXGPTXKMIGMC-WRONEBCDSA-N 434.514 6.958 30 10 IKEE O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccc(-c3ccccc3)cc1)Nc1ccccc1N2 21222705 NYZFUVYWGUPQKK-ZTOMLWHTSA-N 448.591 7.395 30 10 IKEE COc1ccc(OC)c([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)c1 21223819 ZAHBZGMXAWUNEJ-SOKVYYICSA-N 444.506 5.822 30 10 IKEE Cc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccc(OC(C)C)cc1)C2 21257540 XUTWATVLAMQPGZ-KCWXNJEJSA-N 438.571 6.762 30 10 IKEE Cc1ccc(-c2ccc(CCC(=O)N3CCCCC3)n2-c2ccc(CC#N)cc2)c(C)c1 23336083 VDUGMNCAWVONCR-UHFFFAOYSA-N 425.576 5.772 30 10 IKEE OC(/C=C\c1ccc(F)cc1)=N\c1nc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 33915185 WBSDDSWVVJGBOA-SSZFMOIBSA-N 435.462 5.899 30 10 IKEE CSc1cc(-c2ccc(Br)cc2)c2sc(-c3ccccc3)nc2c1C#N 35067027 QNDJGVPZNXHSAX-UHFFFAOYSA-N 437.387 6.986 30 10 IKEE CCc1ccc(OCCCC(=O)Nc2sc(=S)c3c(c2C#N)CC[C@@H](C)C3)cc1 41015579 PYECPTZGWONHDO-OAHLLOKOSA-N 426.607 5.834 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O3)CN(Cc1ccc(F)cc1)CO2 41645943 BPBRCZIHOMMJHR-JJFYIABZSA-N 446.434 5.011 30 10 IKEE O=C1C[C@@H](c2ccccc2Cl)CC2=C1[C@@H]1c3ccccc3C(=O)N1c1ccccc1N2 58866561 VICLPBTVNZPSRU-MQNRADLISA-N 426.903 5.868 30 10 IKEE CCCCCCCCOc1ccc(-c2ccc(C(=O)NCCc3ccccn3)cc2)cc1 59401747 DGYGGICLHHPYFT-UHFFFAOYSA-N 430.592 6.460 30 10 IKEE N#CCCCC1CCC(c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1 95937963 WCHDVJKTPFNXLD-UHFFFAOYSA-N 437.939 6.171 30 10 IKEE CCCCCCCCCCCCCCCCNC(=S)NC(=O)COc1ccccc1 100068594 DYHUJDWZCKNDSM-UHFFFAOYSA-N 434.690 6.537 30 10 IKEE CCCCCCCOc1cccc([C@]2(C)Nc3ccccc3C(=O)N2Cc2ccco2)c1 100133146 NSVUKBFNMNIZTO-HHHXNRCGSA-N 432.564 6.570 30 10 IKEE CCCCCCCOc1ccccc1[C@@]1(C)Nc2ccccc2C(=O)N1C[C@H]1CCCO1 100141089 RYDHWEQYJCFAJT-ZBLYBZFDSA-N 436.596 5.955 30 10 IKEE CCCCCCCCC(=O)N1CCC[C@@H]1C(=O)Nc1nnc(-c2cccc(Cl)c2)s1 102996002 QOIDQVPCPJEQQT-GOSISDBHSA-N 449.020 5.539 30 10 IKEE CCCCCCCCC[C@H](NCCC)c1cc(Br)c(Br)s1 128270222 MYPICPLMMMIJNI-HNNXBMFYSA-N 439.301 7.455 30 10 IKEE COc1cc(/C=N/Nc2ccc(C)c(Cl)c2)ccc1OCc1ccc(Cl)c(Cl)c1 169879417 HQKFPQOKNPUROH-RPPGKUMJSA-N 449.765 6.989 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2ccc(C)c(C)c2)c1 169932381 APFCWWJXMRSOBL-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(Oc3ccc(C)c(C)c3)cc2)NC(=S)N1C 169935209 XRGFBQBWIOFUTE-RUZDIDTESA-N 442.584 6.114 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(O)cc2)cc1 169959194 QAUONLJYKULUCA-XMMPIXPASA-N 443.499 5.055 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2ccc(Cl)cc2)c1 169969910 RPHNSEOUUVJPPX-QHCPKHFHSA-N 445.902 5.366 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2cccc3ccccc23)[C@@H]1c1cccs1 169986370 KHHVZOOUJKMUFK-RUZDIDTESA-N 439.536 6.003 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@H]1c1ccccc1 170052466 QPWQOGQXLDDGLT-XMMPIXPASA-N 431.919 5.750 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2ccccc2)cc1 170052616 RXOJUTOLSIQAHJ-XMMPIXPASA-N 427.500 5.485 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(N(C)C)cc2)o1 170099978 GDYPFTFWQZIXFW-NRFANRHFSA-N 436.895 5.090 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(OC)cc2)c1 170113414 QPJYLRQFDVCCBM-DEOSSOPVSA-N 443.499 5.267 30 10 IKEE CN(C)c1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C2CCCC2)cc1 170129935 AYOQPHBNMGPSLN-RUZDIDTESA-N 440.543 5.427 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2cccnc2)cc1C 170187238 PPFFLVYGSNUASY-XMMPIXPASA-N 442.515 5.107 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2cccnc2)cc1C 170187239 PPFFLVYGSNUASY-DEOSSOPVSA-N 442.515 5.107 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccncc1 170206310 PKQAQPHRMBYKFL-FQEVSTJZSA-N 439.298 5.480 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccccc2)cc1 170225215 STANSWFKBKMKAY-XMMPIXPASA-N 427.500 5.485 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2ccccc2)cc1C 170227544 IAXDMBVADGWRFR-XMMPIXPASA-N 443.499 5.185 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccc(F)cc2)c1 170238946 JPBCHTUQIOIZKH-DEOSSOPVSA-N 445.490 5.704 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1c[nH]c2ccccc12 170255202 FCCMGPGWRCLCGS-HSZRJFAPSA-N 432.520 5.334 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccco2)cc1 170287651 WMMPHTVCDBQPGF-XMMPIXPASA-N 445.515 5.940 30 10 IKEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@@H]1c1ccco1)c1ccc2ccccc2c1 170297497 OKWSGBXQPCLMPC-JOCHJYFZSA-N 435.439 5.092 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2c2ccccc2C)o1 170305419 KIKNVQWWDUWHAI-HSZRJFAPSA-N 431.488 5.467 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1sccc1C 170319450 NDMSPKFZFRDXFZ-MGPUTAFESA-N 425.550 5.148 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@@H]1c1sccc1C 170319480 MNDMQNXXJORDNB-HXUWFJFHSA-N 427.566 5.450 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccc(Cl)c(Cl)c1)c1cccs1 170379487 CXZXAWVVUDGJMP-SFHVURJKSA-N 448.302 5.977 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 170409737 YWFNTKDZQJIWFT-DEOSSOPVSA-N 438.483 5.130 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cc(C)cc(C)c2)cc1 170452631 HSONKZWJFGDEFT-QHCPKHFHSA-N 434.580 5.665 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(Nc3ccccc3)cc2)c1 170460706 CAWBGDQBAWTLMX-AREMUKBSSA-N 440.543 6.254 30 10 IKEE COc1cc(/C=C\C(=O)Nc2cccc(OCCCC#N)c2)cc(Cl)c1OC(C)C 213569075 DXAFQTLYWSLWDZ-KTKRTIGZSA-N 428.916 5.470 30 10 IKEE CCCc1nn(-c2nc3ccccc3s2)c(O)c1C(C)=Nc1ccc(C(=O)OCC)cc1 254288081 HGXDURJPDXWHMU-UHFFFAOYSA-N 448.548 5.458 30 10 IKEE Fc1ccccc1Cn1cc(C=NNc2nnc3c(n2)[nH]c2ccccc23)c2ccccc21 254582458 NOIMLAWFWDPORK-UHFFFAOYSA-N 435.466 5.094 30 10 IKEE O=S(=O)(/N=C(\N=C(Oc1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 254710198 KSAJPVALNWFCIF-UQPMGKSNSA-N 440.524 5.348 30 10 IKEE Cc1ccc(N=C2S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2ccc(C)cc2)cc1 254750839 FPATUPQCSJXTIT-VUQCETKJSA-N 443.597 6.482 30 10 IKEE CCCCCCCCCCC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@@]12C 306121435 GRAAWEGTURLYKP-JLTRRIDFSA-N 442.684 7.571 30 10 IKEE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccccc2C#N)[C@H]1c1ccc(F)cc1 526610517 YZNWQYXUWSMOLK-QHCPKHFHSA-N 444.462 5.162 30 10 IKEE N#Cc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2cccc(F)c2)cc1 526823695 NWUINKLNUYHHJV-YUMHPJSZSA-N 427.508 5.054 30 10 IKEE CCCCCOc1ccc(/C=N\n2cnnc2SCc2cccc(F)c2)cc1OC 526824847 XENFSLSEKAAIFH-QFEZKATASA-N 428.533 5.169 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1ccc(O)c(OCC)c1 526825866 MVXOXGZILWPZSA-OYKKKHCWSA-N 428.533 5.039 30 10 IKEE CC(C)Oc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)[C@@H]2CCCC[C@H]2C)cc1 586151307 SMENBUFOCHEJRV-NTKDMRAZSA-N 426.582 5.115 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@H](C#N)c1ccc(Cl)c(Br)c1 698843733 XMXUJNMFYGLFSK-SFHVURJKSA-N 441.797 6.627 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@H](C#N)c1ccc(Br)c(F)c1 698866385 LERKYCLINUKSRK-MRXNPFEDSA-N 425.323 5.652 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@@H](C#N)c1cccc(Br)c1Cl 706533800 AXFDRUKCGJUDIC-ZDUSSCGKSA-N 428.718 5.605 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCN(C(=O)OC(C)(C)C)[C@H]2C)c1 710776916 LKEUVBPRUYRCMK-UUOWRZLLSA-N 429.561 5.418 30 10 IKEE O/N=C\c1cc(Br)cc(Br)c1OCc1ccc(F)cc1Cl 953082235 IBNFKCOFGCJNGD-SWNXQHNESA-N 437.490 5.391 30 10 IKEE Cc1cc(C)c(NS(=O)(=O)c2ccc(N=Cc3c(O)ccc4ccccc34)cc2)c(C)c1 1083910156 LULXKKKNVFVUIH-UHFFFAOYSA-N 444.556 6.022 30 10 IKEE COc1ccc(/C=N/N=C2/S/C(=C/c3ccccc3C)C(=O)N2Cc2ccco2)cc1 1615300739 KSBDLNSVEQVEEV-WTGMLGSZSA-N 431.517 5.103 30 10 IKEE Cc1c(C(=O)N2CCCc3ccccc32)oc2c1C(=NNc1ccccc1)CC(C)(C)C2 1772729499 QVXZCDNROZELBP-UHFFFAOYSA-N 427.548 5.970 30 10 IKEE CCCCOc1ccc(/C=C2/SC(=Nc3cccc(O)c3)N(CC)C2=O)cc1OC 1772764263 ZQHSWCXRRWVJPO-FUSVKQJLSA-N 426.538 5.204 30 10 IKEE COc1cccc(-c2nn(-c3ccc(C)cc3)cc2/C=N\NC(=S)Nc2ccccc2)c1 1857811917 KBYGFPBLQIPHIR-QQXSKIMKSA-N 441.560 5.177 30 10 IKEE CCCCCCCCCCNC(=O)c1cc(C(C)(C)C)nc2ccc(Br)cc12 1859578182 ZUKSPPSXILHYHQ-UHFFFAOYSA-N 447.461 7.165 30 10 IKEE CCCCCCCCNC(=O)[C@@H](NC(=O)CCCOc1ccccc1C)c1ccccc1 1861708765 WUNJPBQHEZFHDI-SANMLTNESA-N 438.612 5.488 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)cc1)c1ccccc1Cl 1862431488 IGNIRTVPIVMELL-FQEVSTJZSA-N 439.298 5.167 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCc2cccs2)cc1 1862441317 FNDZTKMSNNGHLL-OAQYLSRUSA-N 437.948 5.531 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1cc(Cl)cc(Cl)c1 1862466948 DRSPNKMFOSEJLH-KRWDZBQOSA-N 444.236 5.399 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@@H]2c2ccc(O)cc2)cc1 1862474734 SQTQPHFEDSCEBW-JOCHJYFZSA-N 433.891 5.133 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(F)cc2F)cc1 1862477720 POTODEPFSUXBSW-JOCHJYFZSA-N 425.475 5.574 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862478723 PBTDCBZKANQOOX-XMMPIXPASA-N 445.490 5.311 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc2c(c1)CCCN2C 1862499062 XHDQWENDRJZMNY-DEOSSOPVSA-N 432.564 5.064 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(F)cc2F)cc1 1862516284 LBFFNERQICONCS-JOCHJYFZSA-N 441.474 5.275 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 1862521818 QZAAUMCXNVCFDT-IBGZPJMESA-N 434.319 5.380 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2cccc(C)c2)cc1 1862555507 WXVKDGHVXVXZTM-BVZFJXPGSA-N 440.543 5.479 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2ccc(Cl)cc2)c1 1862557003 IHIWBSDDCRQYHN-HSZRJFAPSA-N 446.934 5.318 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1c(Cl)cccc1Cl 1862598380 RBZSXBKJFFCKPA-FQEVSTJZSA-N 448.346 5.858 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(N(C)C)cc1 1862616437 RLLKZKMTVRKPNM-XMMPIXPASA-N 448.607 5.819 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1cccc2ccccc12 1862620098 KQSYJRBPDDAEJX-CJAUYULYSA-N 441.571 6.514 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1F 1862644693 QQFIOCMHWNQOOT-QFIPXVFZSA-N 439.527 5.366 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccccc1Cl 1862660608 KSIBMIUWCBPSIP-JOCHJYFZSA-N 425.956 6.088 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 1862673822 OYEIWRXXWUXIIY-RBBKRZOGSA-N 427.491 5.902 30 10 IKEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(F)c2)cc1 1862674006 RDEOIAWVOQLSLH-CMJOXMDJSA-N 449.453 5.313 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@H]1c1cccc(Cl)c1)c1ccc(F)cc1 1862675393 JKXSPJHMOCTUEH-QFIPXVFZSA-N 439.914 5.948 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(CCCCc3ccccc3)C2=O)cc1C 1863253685 UQGSRJWAYKCYTA-UHFFFAOYSA-N 449.554 5.390 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C(C)=O)c2)=C(c2ccccc2OC)C1=O 1863428181 WMLBCGXXHHHVQZ-UHFFFAOYSA-N 448.563 5.450 30 10 IKEE CCCc1nc(Nc2cccc(C#N)c2)cc(N2CCC(c3nc(C)c(C)s3)CC2)n1 1868378003 FBODFWNPHITQHG-UHFFFAOYSA-N 432.597 5.502 30 10 IKEE CCCCCCOc1cn(CCCC)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870186862 TUSBITHTNWVMSR-UHFFFAOYSA-N 441.641 6.092 30 10 IKEE CCCCCCCOc1cn(C[C@@H]2CCCO2)c(CSCc2ccccc2)cc1=O 1870252074 BSIQQIQSJUDDBP-QHCPKHFHSA-N 429.626 5.810 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2)c(=O)cc1CN(CCO)CCCC 1870468367 BOHKKPRPQRZTJW-UHFFFAOYSA-N 442.644 5.382 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc(C)c2)cn1CCc1ccc(C)cc1 1870620619 JCENJEUSOUUYBS-UHFFFAOYSA-N 442.603 5.461 30 10 IKEE C#CCOc1cn(CCCCCCCCCC)c(CNc2cccc(Cl)c2C)cc1=O 1871005814 ADKJENBRESYONS-UHFFFAOYSA-N 443.031 6.575 30 10 IKEE C=CCn1cc(OCc2c(Cl)cccc2Cl)c(=O)cc1CNc1cccc(C)c1 1871049438 GQEKLIZJYYJPBO-UHFFFAOYSA-N 429.347 5.841 30 10 IKEE C=CCn1cc(OCCc2ccc(OC)cc2)c(=O)cc1CNc1ccc(Cl)cc1C 1871051094 KWNLAHLJBCJQCT-UHFFFAOYSA-N 438.955 5.238 30 10 IKEE CCCCC[C@@H](CC)N1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(Cl)cc1)C3=O 1871347493 BTXZKESORLCAQB-SPMKTWQFSA-N 439.983 6.775 30 10 IKEE Cc1cccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2cccc(Cl)c2)C4)c1 1871348001 KCTSAKOTPDTSRE-FMCGGJTJSA-N 431.919 5.925 30 10 IKEE CCN(CC)CCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccccc1Cl)C3=O 1871349733 RTDATFHIEUGFHX-HMAPJEAMSA-N 440.971 5.148 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccncc2)C3=O)c(OCC)c1 1871386717 JPCWGDZMVYFHEO-QRVIBDJDSA-N 445.471 5.023 30 10 IKEE Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2sccc2C)C3=O)c(C)c1 1871401832 ACYKHXPJBLWCDJ-QLTNSANVSA-N 447.556 6.004 30 10 IKEE COc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccccc1)C2=O 1871411199 GHZLEZSFDKQKGT-XMSCMFJESA-N 429.472 5.026 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccco1)C2=O 1871413715 NXLXGZYISYROKJ-OFNOZLENSA-N 437.879 5.572 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)c(Cl)c1)[C@H](C)CC)S(=O)(=O)c1ccccc1 1871810137 ATFITTJUKVXETM-VGSWGCGISA-N 449.016 5.269 30 10 IKEE N#C[C@@H](C(=O)Cc1c[nH]c2ccccc12)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872769648 XLXWEGMZWOHGLX-HNNXBMFYSA-N 426.328 6.017 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@@H](C#N)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 1872788705 OOWKYQXXZXZAKE-ZDUSSCGKSA-N 448.287 5.524 30 10 IKEE C=CCN1C(=O)C(Nc2cccc(OC(C)C)c2)=C(c2cc(Cl)ccc2Cl)C1=O 1873390365 IOWOACHFEJSODW-UHFFFAOYSA-N 431.319 5.159 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C(C)(C)C)cc2)cc2c(NCc3ccncc3)ncnc21 1873618310 JIXUSFKISGORCQ-UHFFFAOYSA-N 440.551 5.174 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)cc2)cc2c(NCCC3=CCCCC3)ncnc21 1873639466 USKBMFYJNNVNTJ-UHFFFAOYSA-N 435.959 5.825 30 10 IKEE C=CCn1c(C(=O)Nc2ccccc2C(C)C)cc2c(NCc3ccc(O)cc3)ncnc21 1873641243 IJVVYVFAVVTMNY-UHFFFAOYSA-N 441.535 5.311 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)c(Cl)c2)cc2c(N3CCC[C@@H](C)C3)ncnc21 1873657668 LBQNSKVHFWUPBG-CQSZACIVSA-N 444.366 5.413 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(CCCC)cc2)cc2c(N3CCC[C@@H](C)C3)ncnc21 1873657859 RNBKNVADLOZAEU-LJQANCHMSA-N 431.584 5.449 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](C)Oc1cc(C)cc2oc(=O)c3c(c12)CCC3 1873937102 YNVDBGKHZJMREE-IBGZPJMESA-N 427.585 5.614 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1sccc1C 1874204258 RNUJWYPZRFDGLZ-UFFVCSGVSA-N 439.393 5.694 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCC(=C)C)n1/N=C/c1cccc(F)c1 1874226839 FZYUUWLNFGMPJX-AFUMVMLFSA-N 438.528 5.111 30 10 IKEE Fc1cccc(CSc2nnc(CCCOc3ccccc3)n2/N=C/c2ccccc2)c1 1874317493 WQQUTJOONHAEMR-OVVQPSECSA-N 446.551 5.603 30 10 IKEE CCCSc1nnc(CCOc2ccccc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874346792 GTTASMUQQCRUJB-MFKUBSTISA-N 434.487 5.303 30 10 IKEE CC(C)c1ccc(/C=N/n2c(CCc3cccs3)nnc2SCc2ccccc2)cc1 1874371618 IQCDKRLHMPSGFA-YZSQISJMSA-N 446.645 6.423 30 10 IKEE O=[N+]([O-])c1ccccc1/C=N/n1c(CCc2cccs2)nnc1SCc1ccccc1 1874371683 LTISKPBQNHUARB-HZHRSRAPSA-N 449.561 5.208 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(CCc3cccs3)nnc2SCCC)cc1 1874372333 UFWZQPSKICMRRV-HKOYGPOVSA-N 442.654 6.078 30 10 IKEE Fc1ccccc1/C=N/n1c(Cc2ccccc2)nnc1SCc1cccc(Cl)c1 1874419531 SAHNBKHTBGWABC-CVKSISIWSA-N 436.943 5.836 30 10 IKEE O=[N+]([O-])c1cc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2)ccc1Cl 1874427875 GHCNKXUNJAPRCI-ZVHZXABRSA-N 449.923 5.681 30 10 IKEE COc1ccc(OC)c(/C=N/n2c(CC(C)(C)C)nnc2SCCc2ccccc2)c1 1874439827 VFHUMNQAIOKABX-KOEQRZSOSA-N 438.597 5.101 30 10 IKEE CCSc1nnc(C2CCCC2)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874455297 KYMYLFCULZXOFJ-MFKUBSTISA-N 441.000 6.162 30 10 IKEE COCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1cccc2ccccc12 1874473635 OKYZWUISZKQMDQ-MFKUBSTISA-N 436.968 5.448 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc(OC)c(OC)c1 1874476631 ULSNHDNTYMZAPN-ZVHZXABRSA-N 444.988 5.466 30 10 IKEE Cc1ccc(CSc2nnc(C)n2/N=C/c2ccc(OCc3ccccc3)cc2)cc1 1874529454 KJAKFWAHKCMQRB-WGOQTCKBSA-N 428.561 5.648 30 10 IKEE Cc1ccc(OCc2nnc(S)n2/N=C/c2ccc(Cl)cc2Cl)c(C(C)(C)C)c1 1874569312 QUMIRQHALINKJV-BHGWPJFGSA-N 449.407 5.941 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2cc(C)ccc2C)c1 1874572385 KSIOPLMDLDTUGG-PKNBQFBNSA-N 449.934 5.879 30 10 IKEE CCc1ccccc1NC(=O)COc1ccccc1/C=C/C(=O)c1ccc([N+](=O)[O-])cc1 1874575543 SLGUIKRMUCKVBW-DTQAZKPQSA-N 430.460 5.071 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Cl)cc(OC)c1OCc1ccc(F)cc1 1874577153 YUIGLNYFJSDOCL-FMIVXFBMSA-N 426.871 5.971 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(Cl)cc1 1874577218 CTQKEUHGIXKCGV-CCEZHUSRSA-N 449.978 6.417 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2nccs2)c1 1874580540 SQIBMCKYTMMDQD-FNORWQNLSA-N 426.925 5.327 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccccc1OCc1ccc(Cl)cc1 1874584440 OENQKMCPRPQWDN-RVDMUPIBSA-N 434.963 7.121 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC)c2OCc2ccccc2)cc1C(C)C 1874585401 RMXOMNJKLQLSKG-CCEZHUSRSA-N 430.544 6.611 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)NC3CCCCC3)c(Cl)c2)cc1 1874609505 VFCXGPJTSIYZDC-NTUHNPAUSA-N 427.928 5.072 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OCc1ccc([N+](=O)[O-])cc1 1874611521 MWFDZSQUSXJANG-GXDHUFHOSA-N 433.460 5.477 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 1874613615 DQVSLORELNHHLR-WLRTZDKTSA-N 427.327 6.867 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OCC(=O)Nc1cc(C)cc(C)c1 1874614494 JQQDWTGJIHVOCU-ZHACJKMWSA-N 445.515 5.234 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OCC(=O)NC3CCCCC3)c(Cl)c2)c1 1874618350 WDWLJTFEXQPPSJ-ZRDIBKRKSA-N 425.956 5.681 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OCC(=O)Nc1cccc(C)c1 1874620221 ORDMIKTUNDHRCF-XYOKQWHBSA-N 447.506 5.755 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2cc(OCC)c(OC)c([N+](=O)[O-])c2)cc1 1874624390 BHRIYNOANLGRAE-XNTDXEJSSA-N 441.524 6.247 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OCc1c(Cl)cccc1Cl 1874625638 OTWIIMVZFOHKPO-WUXMJOGZSA-N 445.317 7.006 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Cl)c1OCCc1ccccc1 1874627485 MKOKGPFVWGUFQM-DHZHZOJOSA-N 442.889 6.535 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3cccc(C)c3)c(OC)c2)c(OC)c1 1874632784 UZKXDQDUWSXPKS-FMIVXFBMSA-N 448.515 5.505 30 10 IKEE CCCNC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OCC 1874633245 SPTHOVLKXKWLKF-CSKARUKUSA-N 429.944 5.157 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCOc3ccccc3)c2)cc1 1874702089 RRZFOCSTTAPRKX-LFIBNONCSA-N 430.500 5.746 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccc(C)c(C)c3)c2)cc1F 1874707382 CINQKINAUNWUSB-JXMROGBWSA-N 448.490 5.504 30 10 IKEE COc1ccccc1OCC(=O)Oc1cccc(/C=C/C(=O)c2ccc(C(C)C)cc2)c1 1874710092 SNTZGFHQUMOKIW-LFIBNONCSA-N 430.500 5.699 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)COc3ccccc3)c2)cc1C(C)C 1874710484 BOPZAQFDEKHNSM-BUHFOSPRSA-N 444.527 6.008 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)[C@H]3C[C@H]3c3ccccc3Cl)c2)c(C)c1 1874716364 ORPFETWSYVOKOG-CFHGVRTOSA-N 444.958 6.870 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3ccc(C)cc3)cc2)cc1C 1875107184 DZLXJLJITUIJNY-MHWRWJLKSA-N 444.527 5.973 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)Cc1ccc(F)c(C)c1 1875127448 FQSDFOSOINQSBV-ZRDIBKRKSA-N 434.463 5.196 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1cccnc1 1875132236 MEIQKTQDXPRIPV-XBXARRHUSA-N 428.271 5.512 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1Cl 1875142928 AIRMOCLHKBQUQZ-WYMLVPIESA-N 442.983 7.209 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(OC)ccc2OC)cc(OC)c1OC(=O)C1CCC1 1875147371 SOQZJDSZIWIRSE-ZRDIBKRKSA-N 436.504 5.043 30 10 IKEE CCCC(=O)Oc1c(OCC)cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 1875149268 HIIJOQQSAPNCOQ-NTEUORMPSA-N 439.508 5.893 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)ccc1OC(=O)CC(C)C 1875164592 QXHXVDXYLFKPQV-MHWRWJLKSA-N 444.527 6.725 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c(C)c1C 1875168189 WPLHZXDJVYZZEY-MKMNVTDBSA-N 431.444 5.336 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc4c(c3)OCO4)c(Cl)c2)c(C)c1 1875183164 NLYQFWAXCRIXQB-QPJJXVBHSA-N 448.902 6.109 30 10 IKEE CCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc1Br 1875187640 DZQWPKQNWIMRGC-VQHVLOKHSA-N 431.326 5.676 30 10 IKEE Cc1c(N=[N+]=[N-])cc(CC(=O)O)cc1N(C)C(=O)OCC1c2ccccc2-c2ccccc21 1887506081 KNGCYWXLAONJGH-UHFFFAOYSA-N 442.475 5.949 30 10 IKEE CCCCCCCCC[C@H](CCCN(Cc1ccccc1)C(=O)OC(C)(C)C)NCC 1915228241 LKCQQINXACTLBZ-RUZDIDTESA-N 432.693 7.323 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CC1)CC(C#N)(N(C(=O)OC(C)(C)C)C1CCCCC1)C2 1917722312 SRCGXHUGGIGLET-UHFFFAOYSA-N 447.620 5.630 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](O)c1ccccc1NC(=O)OC(C)(C)C 1922057338 LAOUOYAGBKOATQ-BJKOFHAPSA-N 440.584 5.208 30 10 IKEE Cc1cc(Br)c(F)c([C@H](C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)c1 1927542123 YRCJZQVWFJQZIC-LBPRGKRZSA-N 425.220 5.261 30 10 IKEE CC1(C)C[C@@H]([C@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C1 1931256384 LKCPOBBVYZEPPN-PMACEKPBSA-N 443.588 5.351 30 10 IKEE CC[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)CN1Cc1ccccc1 1942588844 GJXMHVGEERRCNA-BWKNWUBXSA-N 439.987 6.028 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C1CCC1)C2 1949537740 JFIDRUBHRIWBIO-XMMPIXPASA-N 433.593 5.240 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 1996784323 QCYDFIYFAHCUEC-JLLPCOHGSA-N 428.617 5.021 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1CCC(C)(C)N(C(=O)OC(C)(C)C)C1 2017964639 AINPKOZELFFZED-XZOQPEGZSA-N 430.633 5.553 30 10 IKEE CCCN[C@@H](CC#CC1CCCCC1)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2034434565 AXKLADLJTCAVBP-DQEYMECFSA-N 442.644 5.439 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@]1(C#N)CCN(Cc2ccccc2)C2(CC2)C1 2042190260 ORQWGBBZZFRWAS-AREMUKBSSA-N 435.543 5.658 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C3CCCC3)C[C@H]21 2048096835 WTNSDDSJCUFFMC-RQBNJVACSA-N 447.620 5.628 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@H](NC(=O)OC(C)(C)C)C2(C)C)c1 2066218171 ICRDMPREWMSVPK-UUOWRZLLSA-N 445.560 5.022 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C12CC2 2070830620 WGTARJPYQNEPSX-DEOSSOPVSA-N 445.535 5.393 30 10 IKEE C[C@@H](c1ccc(C(F)(F)F)cc1F)n1nc(C2CC2)c(C#N)c1I 2079894345 FLTNBWSMZOWQSK-QMMMGPOBSA-N 449.189 5.004 30 10 IKEE N#Cc1c(C2CCCC2)nn(Cc2ccc(Br)c(F)c2)c1Br 2080299826 ADTNLMMSHZQRAS-UHFFFAOYSA-N 427.115 5.125 30 10 IKEE C=C(CC[C@H](C)[C@@H]1[C@H](O)C[C@@H]2[C@H]3[C@@H](O)C=C4C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]12C)C(C)C 2085138205 TYAFBMTZMSJDIO-PAMSZAASSA-N 430.673 5.496 30 10 IKEE C=C(COCc1ccccc1)[C@H](NC)[C@@]1(O)CN(Cc2ccccc2)C2(CCCCCC2)C1 2100356464 PVYAPVMWJGLTHS-YTMVLYRLSA-N 448.651 5.077 30 10 IKEE CC(C)C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)Nc1ccc(Br)cc1 2149843764 PYOVULQYTSDAEW-KKSFZXQISA-N 436.394 5.426 30 10 IKEE CO[C@H]1CC(F)(F)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2162037966 YINWHHNJFTVLBC-MAUKXSAKSA-N 445.304 5.287 30 10 IKEE CC(C)(C)OC(=O)N1CCCC2(CC(Nc3cc(Br)c(C#N)cc3F)C2)C1 2162285152 VWSDRDKTVCPVJE-UHFFFAOYSA-N 438.341 5.051 30 10 IKEE C=CC[C@@](C)(CO)N(Cc1cccs1)C(=O)OCC1c2ccccc2-c2ccccc21 2209683092 GMQVGOBBSBSTTN-SANMLTNESA-N 433.573 5.826 30 10 IKEE CCCN[C@@H](C#CC(C)(C)C)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2225439512 NLTZOYKLITYRQR-MHZLTWQESA-N 441.615 6.935 30 10 IKEE CN[C@H](CC=CC#CC(C)(C)C)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2248472360 ABCBOBRFMUQKFY-WWNPGLIZSA-N 428.617 5.069 30 10 IKEE Cc1cc(I)ccc1Nc1cc(Br)cc(F)c1C#N 2268263869 MOYZRXBOHHZHAU-UHFFFAOYSA-N 431.046 5.117 30 10 IKEE C=CCCC1([C@H](Cc2cccc(Br)c2C)NC)CN(C(=O)OC(C)(C)C)C1 2281043863 XYISWHRBTBFOCG-IBGZPJMESA-N 437.422 5.091 30 10 IKEE CCCCCOc1ccc(C=C2CCCC(=Cc3ccc(OCCCCC)cc3)C2=O)cc1 2297110523 FETMZSSJZUELET-UHFFFAOYSA-N 446.631 8.045 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2308984361 KDRFGMIUHBBLLS-PXYFHJBISA-N 445.535 5.153 30 10 IKEE O=C1NC(=Nc2cccc(Cl)c2Cl)SC1=Cc1cc(Cl)cc(Cl)c1O 2313541361 DBBAOGXYIBKIBI-UHFFFAOYSA-N 434.131 5.897 30 10 IKEE Cc1ccc(Sc2ccc(C=C3SC(=Nc4ccc(Cl)cc4)NC3=O)o2)cc1 2313560561 XSUMUNULFYOXAM-UHFFFAOYSA-N 426.950 6.284 30 10 IKEE C=CCN1C(=O)C(=Cc2cccc(OC)c2OCc2ccc(Cl)cc2)SC1=S 2313652998 BWPCOTGLTWSYFS-UHFFFAOYSA-N 431.966 5.315 30 10 IKEE O=C1C(=Cc2cccc(Cl)c2)Oc2cc(OCc3ccc(Cl)cc3Cl)ccc21 2314437667 SNARIQFXWZMJLO-UHFFFAOYSA-N 431.702 6.842 30 10 IKEE CC(C)c1ccc(C=C2Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc3C2=O)cc1 2314438379 QOXKTOFALVUXDZ-UHFFFAOYSA-N 440.539 6.943 30 10 IKEE CCCOc1ccc(C=NNc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1OC 2318417949 LASWIFOEWZOQQO-UHFFFAOYSA-N 427.526 5.071 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1cc(Cl)ccc1O 2321027689 CEFTZORXJBBSGX-UHFFFAOYSA-N 441.771 5.681 30 10 IKEE Cc1cc(OCc2ccc(Br)cc2)cc2c1C(=O)C(=Cc1cccs1)O2 2321842155 GIUBVFKEBXHKIZ-UHFFFAOYSA-N 427.319 6.014 30 10 IKEE CCCCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(OC)c(OC)c1)C3=O 2322083055 WVQVNDCUIZRTIB-UHFFFAOYSA-N 437.536 5.361 30 10 IKEE CCCCC1CCC(c2nnc(S)n2N=Cc2cc(Br)ccc2O)CC1 2322106741 HLVNVSWXUQPQMI-UHFFFAOYSA-N 437.407 5.381 30 10 IKEE CCCCOCCCN1COc2ccc3c(c2C1)OC(=Cc1cccc(Cl)c1)C3=O 2322145474 OWUXUGBJECVGJP-UHFFFAOYSA-N 427.928 5.315 30 10 IKEE O=C(C=Cc1cc(Br)ccc1OCc1ccccc1)c1ccc2ccccc2c1 2322312615 XRUPSVIUQLBLRU-UHFFFAOYSA-N 443.340 7.077 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Br)ccc2OCC(=O)OC)cc1 2322391508 XGWDJVAZPCZUFE-UHFFFAOYSA-N 431.326 5.240 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(Cl)cc2C=CC(=O)c2ccccc2Cl)c1 2322436985 XNTGSGIFCUVCJS-UHFFFAOYSA-N 440.326 6.215 30 10 IKEE Cc1cc(C(=O)C=Cc2cc(Cl)ccc2OCc2nc(O)c3ccccc3n2)ccc1F 2322634653 CLHSFEJFYHBWFU-UHFFFAOYSA-N 448.881 5.911 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(C)c(C)c2)c1OCc1cccc(Cl)c1 2322894828 ZRBZDSDUOJLPMX-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OC)c1OCc1ccccc1F 2323026599 AKYDQVZSUYETBJ-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OCC(=O)NCc1ccco1 2323203597 IXPHNDOQHGZHND-UHFFFAOYSA-N 433.504 5.003 30 10 IKEE Cc1c(OC(=O)C=Cc2cccc([N+](=O)[O-])c2)ccc2c1OC(=Cc1ccc(F)cc1)C2=O 2323435706 UKHCAFABJDCWEE-UHFFFAOYSA-N 445.402 5.277 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 2323471289 AYVMINRPWULXBO-UHFFFAOYSA-N 448.450 5.210 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)C(C)(C)Oc3ccc(Cl)cc3)ccc2C1=O 2323707982 MRJNNALSPVOVCN-UHFFFAOYSA-N 448.902 6.028 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(OC)c1OCc1cc(C)ccc1C 2323799699 JYNLUNMGOLJBOT-UHFFFAOYSA-N 446.974 7.169 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)c1 2323832009 ALESKJDHHXAVAD-UHFFFAOYSA-N 426.468 5.867 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 2324220187 UXCSAWVNKNBKRT-UHFFFAOYSA-N 445.515 6.376 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)cc1Cl 2324608266 FTZQGAFIXGFNRF-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1cccs1)C2=O)Nc1cccc(C(F)(F)F)c1 2324900446 MHWCZSBXRUEDFT-UHFFFAOYSA-N 445.418 5.401 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccccc3C)c2)cc1OC 2325702887 JQZOGQLJBMRVQB-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OC(=O)c1ccc2c(c1)OCO2 2325735609 NVXLWYVWZGAGIE-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC(=O)c1cccnc1 2325753679 HHMVJYKSZLCPGQ-UHFFFAOYSA-N 445.515 5.646 30 10 IKEE COc1ccc(C(=O)Oc2cccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)c2)cc1OC 2325756707 IYUMAEYZRWILAI-UHFFFAOYSA-N 444.527 6.053 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cccc(OC(=O)COCc2ccccc2)c1 2325757836 CXGZHEGWNZRNLK-UHFFFAOYSA-N 430.500 5.330 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC(=O)c2cccc3ccccc23)c1 2325765688 UGBROTVPMNVDTD-UHFFFAOYSA-N 448.562 7.561 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc(Br)c1O 2325797297 JDLNEYYPPQUYIA-UHFFFAOYSA-N 432.097 5.375 30 10 IKEE CCOc1cc(C=Nn2c(CC)nnc2SCc2ccc(F)cc2)cc(Cl)c1OC 2326241004 DWXBGDRKXBUNME-UHFFFAOYSA-N 448.951 5.215 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1c(C)n(C)c2ccccc12 2326444478 SOGYMUREDUJIJP-UHFFFAOYSA-N 431.609 5.822 30 10 IKEE Cc1cc(OCc2nnc(SCc3ccccc3)n2N=Cc2cccnc2)ccc1Cl 2326524942 QXXXYVJXQNOFAI-UHFFFAOYSA-N 449.967 5.388 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccc(Cl)cc3)n2N=Cc2ccccn2)cc1 2327507138 QVPQABJSECSHSL-UHFFFAOYSA-N 449.967 5.388 30 10 IKEE C=C(C)CSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(OC)cc1 2327745699 ZOWLJBNYOOIYNK-UHFFFAOYSA-N 428.561 5.581 30 10 IKEE C(=Nn1c(Cc2cccc3ccccc23)nnc1SCCc1ccccc1)c1ccco1 2327763972 NWAZMZGOMSHULD-UHFFFAOYSA-N 438.556 5.832 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3C)n2N=Cc2ccccc2F)c1 2329477883 OFIYEQURIHAFDY-UHFFFAOYSA-N 444.579 5.994 30 10 IKEE Cc1cccc(CSc2nnc([C@@H](C)c3ccccc3)n2N=Cc2ccc(F)cc2)c1 2330073500 JSYLOWJBKIZLGY-IBGZPJMESA-N 430.552 6.052 30 10 IKEE CCc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCC(=O)Nc2cccc(C)c2)cc1 2330819722 DGYXKEUCITVMHG-UHFFFAOYSA-N 449.624 5.351 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)Cc3ccccc3)c(OC)c2)cc1C 2330856563 NEDXRRODIVXIJG-UHFFFAOYSA-N 446.499 5.065 30 10 IKEE Clc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2[C@H]2CCCO2)cc1 2330979610 KLBVBRCPKHKSQC-JOCHJYFZSA-N 448.979 6.111 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C2CCCC2)c(Br)c1)c1ccc(F)cc1F 2331092850 VHDPUOHBKMMZSS-UHFFFAOYSA-N 435.264 5.719 30 10 IKEE Cc1cccc(CSc2nnc(C(F)(F)F)n2N=Cc2cccc3ccccc23)c1 2331122580 GRWIUPJFIYFZCI-UHFFFAOYSA-N 426.467 5.933 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2ccccc2C)nnc1-c1ccco1 2331174314 OCRRINLZKZKTEB-UHFFFAOYSA-N 430.533 5.586 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2[N+](=O)[O-])cc1 2331224620 UIMKENKCUYVJNW-UHFFFAOYSA-N 445.471 5.264 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3Cl)cc2)cc1 2331294204 BJFZDXNNIGNCGA-UHFFFAOYSA-N 434.919 6.173 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)Cc1ccc(C)cc1 2331508625 IPEOJTGENGSVIN-UHFFFAOYSA-N 428.528 6.171 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 2331509983 ZFJITWQYIQWUQV-UHFFFAOYSA-N 445.471 5.842 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)Cc1ccccc1Cl 2331534412 CEEOCHSQNODBNC-UHFFFAOYSA-N 438.882 5.922 30 10 IKEE O=C(O)c1ccccc1C=Nn1c(SCc2ccc(Cl)cc2)nnc1C1CCC1 2331539671 HCMSYRWZPCQFEQ-UHFFFAOYSA-N 426.929 5.072 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)c1cc(Cl)ccc1Cl 2331540103 HLPDVGOGPCSFOA-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OC(=O)c1cccnc1 2331552228 DJOSMYZGTJTMSZ-UHFFFAOYSA-N 445.515 5.512 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OC(=O)c1ccccn1 2331552447 FRIMEGZNCZVOLR-UHFFFAOYSA-N 445.515 5.512 30 10 IKEE Cc1cc(CC(=O)Oc2ccc(C=CC(=O)c3cc(C(C)(C)C)ccc3C)cc2)ccc1F 2331780505 DDQVMXUOBSDADU-UHFFFAOYSA-N 444.546 6.784 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cc(OC)c(OC(=O)C3CCCC3)c(OC)c2)cc1C 2331840952 GNUNHTKICQMSOQ-UHFFFAOYSA-N 438.520 5.321 30 10 IKEE Cc1cc(I)c(OCCCCCCCCCS)cc1Cl 2361573406 MJSAONIICTVWBE-UHFFFAOYSA-N 426.791 6.292 30 10 IKEE C=CCCCCCCCCCOc1cc(NC(=O)OC(C)(C)C)ccc1Br 2370451683 MLEJINPBTBDQQH-UHFFFAOYSA-N 440.422 7.482 30 10 IKEE Cc1cccc2c1N(c1cccc(Br)c1C#N)CCN2C(=O)OC(C)(C)C 2381012266 OKUNZXSKEDPJCO-UHFFFAOYSA-N 428.330 5.522 30 10 IKEE FC(F)(F)c1nc(/N=C/c2c3ccccc3cc3ccccc23)sc1-c1ccccc1 3659001 WDQWKDYYFUNFOM-WKULSOCRSA-N 432.470 7.886 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1nc3ccccc3n1[C@H]2c1cc(Cl)ccc1OC(F)F 4786561 AWKYQUZCZATWAC-FQEVSTJZSA-N 443.881 5.949 30 10 IKEE Cc1ccccc1-n1c(SCc2cccc(C#N)c2)nnc1-c1cc2occc2n1C 9477778 RJGCGVPOPSDERW-UHFFFAOYSA-N 425.517 5.491 30 10 IKEE C=C(C)COc1ccc(NC(=O)c2cc(Br)ccc2OCCC(C)C)cc1 9813765 KYDNSVLCBVLGRK-UHFFFAOYSA-N 432.358 6.081 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2C(F)(F)F)cc1 21254930 QISGYRQRQFYJPK-VQIMIIECSA-N 443.465 5.499 30 10 IKEE CC(C)[C@@H](C(=O)O[C@@H](C#N)c1cccc(Oc2ccccc2O)c1)c1ccc(Cl)cc1 31516192 DGQZGRIBSTXBJK-BJKOFHAPSA-N 435.907 6.386 30 10 IKEE CCOc1ccc(/N=C2/S/C(=C/c3cc(Cl)cc(Cl)c3O)C(=O)N2CC)cc1 33349460 ZEWMQOOSMCAZQP-MDRWVBAWSA-N 437.348 5.722 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 33627459 MHCPIEDFLPIZRZ-UCQKPKSFSA-N 432.903 6.473 30 10 IKEE Cc1ccc(-c2ccc(/C=C3/S/C(=N/c4cccc(C)n4)N(C)C3=O)o2)c([N+](=O)[O-])c1 39863236 PWKUXJQGKFTOFQ-DBPHPPTCSA-N 434.477 5.100 30 10 IKEE CC/C(=N/Nc1nc(SCC(=O)Nc2ccc([C@@H](C)CC)cc2)n[nH]1)c1ccccc1 59020485 ZWGKKONVJOMBIT-WOYCXUPWSA-N 436.585 5.275 30 10 IKEE CC(C)c1nc2scc(-c3ccc4ccccc4c3)c2c(=O)n1Cc1cccc(C#N)c1 96526647 PFIFVICNFXTOTD-UHFFFAOYSA-N 435.552 6.322 30 10 IKEE CCCCCCCCCCCCCCCCNCc1ccc(OC[C@H]2CCCO2)cc1 100023726 ZSNAKUDQNIKKAS-MUUNZHRXSA-N 431.705 7.815 30 10 IKEE CCCCCCCOc1ccc(NC(=S)NC(=O)c2cc(Cl)cc(Cl)c2)cc1 100240921 REYMEAJYUXOGNF-UHFFFAOYSA-N 439.408 6.469 30 10 IKEE C=CCOc1ccccc1NC(=S)NC(=O)c1sc2cc(OC)ccc2c1Cl 100464876 CVQODMHSDFDHAW-UHFFFAOYSA-N 432.954 5.255 30 10 IKEE CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1cc(C)ccc1C 101998495 XIRWYULSHXIZIB-UHFFFAOYSA-N 438.619 7.931 30 10 IKEE O=C1/C(=C/Nc2ccccc2Br)Nc2ccc(Br)c(Cl)c21 103775659 ISONCOVTRLKJHC-GHXNOFRVSA-N 428.511 5.427 30 10 IKEE CCOC(=O)c1ccc(/N=C2\S/C(=C\c3ccc(C(F)(F)F)cc3)C(=O)N2C)cc1 110718253 ZRGJQXDMSWKMSB-ZJXKTMMDSA-N 434.439 5.116 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\n2c(CC)nnc2SC)cc1OCC 169915261 NOVQQYJCPGACAM-MOHJPFBDSA-N 432.634 5.973 30 10 IKEE CCOc1c(Cl)cc([C@H]2NC(=S)N(CC)C(C)=C2C(=O)c2ccccc2)cc1Cl 169932131 QJIPXLNKSKYTSE-LJQANCHMSA-N 449.403 5.800 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]2c2ccccn2)cc1C 169996387 AVEURDVHJALESR-JOCHJYFZSA-N 432.907 5.443 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccncc2)c1 170025622 GZSDGVQXIXWGDL-JOCHJYFZSA-N 432.907 5.130 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(Cl)cc2)ccc1F 170057491 VRKZBPPNOISPOT-NRFANRHFSA-N 439.845 5.710 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2ccc(C)o2)cc1 170101358 NVAHZHKLAJASTP-QHCPKHFHSA-N 431.488 5.386 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(O)cc2)ccc1Cl 170132648 PDSMZUZZCAGPPQ-JOCHJYFZSA-N 449.890 5.227 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)cc2OC)[C@@H]1c1cccs1 170165564 FMFSTGIGADEJRS-IBGZPJMESA-N 449.956 5.187 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccncc2)c1 170202181 IOIHDSLSLGXFRS-DEOSSOPVSA-N 442.515 5.270 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccc(O)c2)ccc1Cl 170258368 FCLGZJAGVYMOJS-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1Cc1ccncc1 170275181 POVGMGBYIOCUKB-RUZDIDTESA-N 434.495 5.322 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccco2)cc1 170285345 OVQBHLSBDCRBEI-QHCPKHFHSA-N 447.487 5.248 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(C)o2)c1 170302219 VCXYWZKVOQYGNI-MZNJEOGPSA-N 443.499 5.311 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2sccc2C)ccc1OC(C)C 170314993 INXTXOFHGXDJTO-QFIPXVFZSA-N 447.556 5.935 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1sccc1C 170318843 JJXYBGAIAJACOC-SFHVURJKSA-N 425.506 5.190 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1cccc(O)c1)c1ccccc1 170387541 ZORAEHBPHIJPDB-FQEVSTJZSA-N 439.389 5.194 30 10 IKEE CCN(CC)c1ccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]2c2ccc(OC)cc2)cc1 170426546 UPBFTQIPJGMAMK-DEOSSOPVSA-N 436.552 5.057 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 170466680 YAYPFEWTLGWJOA-QHCPKHFHSA-N 445.515 5.759 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 170467910 BDXYXXSOLTTZGH-JOCHJYFZSA-N 443.946 6.292 30 10 IKEE N#CC1(c2ccc(NC(=O)/C=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)CCCC1 206296852 YBXPMXLYNWXXBE-OWBHPGMISA-N 427.460 5.842 30 10 IKEE C=CCc1cc(/C=C2/SC(=Nc3ccccc3)N(C3CCCCC3)C2=O)cc(OC)c1O 252613254 JACQLCOQEXLMCM-GXVPZIMRSA-N 448.588 6.066 30 10 IKEE N#CC[C@H](Nc1cc(I)ccc1Br)c1ccccc1 388600294 CYAPUTDPVVPYBI-AWEZNQCLSA-N 427.083 5.121 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccs2)c1 526490110 ZLEDRZJGDKLKIV-QHCPKHFHSA-N 430.529 5.856 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(C(C)C)cc2)cc1 526605016 YEVQNAHCLDFXLZ-SANMLTNESA-N 438.527 6.138 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccc(F)c2)c1 526605604 XZEQWWAZTRBPDT-DEOSSOPVSA-N 428.463 5.543 30 10 IKEE Clc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccccn2)cc1 526808800 RUNMRVRSLSKBJD-QQXSKIMKSA-N 433.968 5.286 30 10 IKEE Cc1ccc(CSc2nnc(C)n2/N=C\c2ccc(OCc3ccccc3)cc2)c(C)c1 526810628 DJTPALWBQSUHBT-YUMHPJSZSA-N 442.588 5.957 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C)n2/N=C\c2cc(Cl)c(O)c(Cl)c2O)c1 526818319 CNLFKXSDMGSCCE-UYOCIXKTSA-N 437.352 5.096 30 10 IKEE C=CCCN(c1ccc(N2CCCCC2)cc1)S(=O)(=O)c1cc(C)c(C)cc1OC 586215384 WBROGZUTQNQNQQ-UHFFFAOYSA-N 428.598 5.074 30 10 IKEE CC(C)(C)c1ccc(S(=O)(=O)N(C(=O)c2cccc(C#N)c2)c2cccc(F)c2)cc1 586296735 YGTGJBAGRLJHPI-UHFFFAOYSA-N 436.508 5.031 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCC[C@H](C(F)(F)F)C1 698495644 DOJZODIJCJUNBH-UGSOOPFHSA-N 447.295 6.205 30 10 IKEE C[C@H]1N(C(=O)OC(C)(C)C)CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 698829279 QEKDAYVOIAHRJT-MWTRTKDXSA-N 433.524 5.249 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCN(C(=O)OC(C)(C)C)[C@@H]2C)c1 710776905 LKEUVBPRUYRCMK-HOYKHHGWSA-N 429.561 5.418 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CC[C@H]2CCCC[C@H]2C1 723605977 AFYYBQTZGLLYHD-HYFFOGBASA-N 433.390 6.443 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CC[C@H]2COCC[C@H]2C1 723663572 MQESSAIWQXGBFK-CKJXQJPGSA-N 435.362 5.290 30 10 IKEE C[C@@H]1CCCCN1c1ccc(C(F)(F)F)cc1N=Cc1cc(Cl)cc(Cl)c1O 725408724 KZOBXPOCLOHGMQ-GFCCVEGCSA-N 431.285 6.847 30 10 IKEE Cc1cc(C)c(NS(=O)(=O)c2ccc(N=Cc3ccc4ccccc4c3)cc2)c(C)c1 1084529848 GZVTYKSXCINEAZ-UHFFFAOYSA-N 428.557 6.316 30 10 IKEE CCCCCCCCCCCC[n+]1ccn(CCO)c1CCCCCCCCCCC 1614949255 DZBRFPNHSQUHQS-UHFFFAOYSA-N 435.761 7.762 30 10 IKEE Cc1csc(N=C2S/C(=C\c3ccc(Br)o3)C(=O)N2c2ccccc2)n1 1772740585 ZJHDXSNJWJNKNB-LCJGLDDCSA-N 446.351 5.616 30 10 IKEE Cc1cccc(-n2cc(/C=N\NC(=S)Nc3cccc(F)c3)c(-c3cccs3)n2)c1 1857809115 LVHTZQQIDBUUHX-CFRMEGHHSA-N 435.553 5.369 30 10 IKEE C[C@H]1CCCC[C@@H]1NC(=O)Oc1cccc2c(NC(=O)c3cccc(C#N)c3)cccc12 1858944926 WKIBWHDYSPKOPA-JTSKRJEESA-N 427.504 5.631 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862402435 YKONJSFGNQOFQY-VWLOTQADSA-N 447.575 5.867 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2cccc(F)c2)cc1C 1862402463 YYAOMKBYMDCFHD-XDHUDOTRSA-N 445.490 5.482 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccccc1F 1862412177 YDATZVUUWTUHFH-YIILKADPSA-N 429.438 5.261 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2[C@H](C)CC)c1 1862436905 FDTOSFKDQAANIV-QVKFZJNVSA-N 427.928 5.506 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCCCN2CCCC2)cc1 1862486883 NITBBCVNUYLXCR-VWLOTQADSA-N 446.591 5.066 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccc(F)cc2F)c1 1862491422 SJHRFYNCCYTMMT-BXKMTCNYSA-N 447.481 5.921 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cccc(OCCC)c1 1862495414 NLGHJYQIHPJAHO-XMMPIXPASA-N 435.564 5.861 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2cccc(F)c2)c1 1862501945 OAPVVKRWPYWPGK-XMMPIXPASA-N 447.481 5.669 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2c(F)cccc2Cl)cc1 1862518706 QXIFWNANVQIXLK-FQEVSTJZSA-N 431.891 5.255 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc(Cl)cc2)cc1 1862536399 XGYREZPEXYBOGB-YTJPUZGESA-N 437.967 6.059 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(C(C)(C)C)cc1 1862549555 RIPIJKDSQMMRIZ-BVZFJXPGSA-N 445.603 6.240 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CC(C)C)cc1 1862582990 QMLCQWLALYUNFB-FQEVSTJZSA-N 448.346 5.626 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(F)cc2)cc1 1862614735 DHZDWBJXIASLIV-JOCHJYFZSA-N 449.547 5.963 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccccc2)cc1F 1862636931 RRKYVDXLNMQSGD-QHCPKHFHSA-N 435.495 5.303 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccccc1Cl 1862661800 SELWJPXCLLONIW-HSZRJFAPSA-N 439.983 6.622 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(Cl)cc2)cc1 1862663262 QDUMVYXHHXUIRJ-IFMALSPDSA-N 439.939 5.221 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(C)ccc2C)=C(c2ccc(OCC)cc2)C1=O 1863205408 ZIIITGCDRLEMBZ-UHFFFAOYSA-N 448.607 6.255 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(Cc3ccccc3Cl)C2=O)cc1C 1863260574 WLHGJOCAXWTDOO-UHFFFAOYSA-N 441.918 5.221 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3cccc(C#N)c3)C(=O)N(Cc3ccc(Cl)cc3)C2=O)c1 1863401778 IVGLJUZXPZLUCO-UHFFFAOYSA-N 441.918 5.221 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(OC)cc(OC)c2)=C(c2cccs2)C1=O 1863480846 BAJCGOYMKCTOTE-UHFFFAOYSA-N 442.581 5.318 30 10 IKEE CC1(C)CN(c2cc(Nc3cccc(C#N)c3)nc(Cc3ccccc3)n2)c2ccccc21 1868200966 KUZMJEIAGUSWRP-UHFFFAOYSA-N 431.543 6.112 30 10 IKEE C=CCN(CC=C)c1cc(N(Cc2cccnc2)c2cccc(C)c2)nc(-c2cccnc2)n1 1869370126 YVYWAQJFEGGMFB-UHFFFAOYSA-N 448.574 5.759 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OC(C)(C)C)c(=O)cc1CSC(C)(C)C 1870262317 WTZZUCVGZYMRPK-UHFFFAOYSA-N 439.662 5.961 30 10 IKEE C=CCOc1cn(CCCCCC)c(CN(Cc2ccccc2)Cc2ccccc2)cc1=O 1870387670 OKCVPHKCYIBYJC-UHFFFAOYSA-N 444.619 6.196 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OC)c(=O)cc1CN(CCCC)CCCC 1870450180 QOYQDEJMOCDALG-UHFFFAOYSA-N 436.637 5.163 30 10 IKEE C=CCOc1cn(CCCCCCO)c(CNc2ccc(Cc3ccccc3)cc2)cc1=O 1870815794 BVFNAEYZGXQMQX-UHFFFAOYSA-N 446.591 5.169 30 10 IKEE CCCCCCCOc1cn(C[C@@H]2CCCO2)c(CNc2ccc(Cl)cc2C)cc1=O 1870833481 KVHHCBQQEIIQJA-QFIPXVFZSA-N 447.019 5.950 30 10 IKEE C=CCn1cc(OCc2ccccc2C)c(=O)cc1CNc1cccc(Br)c1 1871079418 JEKKOZZQBKJDDY-UHFFFAOYSA-N 439.353 5.296 30 10 IKEE CCCCC[C@H](CC)N1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(OCC)cc1)C3=O 1871347742 SUQLCOLOBVFQHL-QAEYNFOBSA-N 449.591 6.521 30 10 IKEE C=CCOc1ccc(C(=O)Nc2ccc3c(=O)cc(-c4ccc(OCC)cc4)oc3c2)cc1 1871359292 ZDDBBGKHDVCFFS-UHFFFAOYSA-N 441.483 5.676 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O)c1cccc(Br)c1 1871365733 GHULNJJXHHAVJI-JMIUGGIZSA-N 439.236 5.424 30 10 IKEE Cc1c(OC(=O)/C=C/c2ccco2)ccc2c1O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 1871369573 RQIHHQNRNHCSCM-WDCYCYNXSA-N 448.474 6.490 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OC(=O)c3c(F)cccc3Cl)cc(C)c2C1=O 1871375588 UCIIUYQTPNCBGT-YVLHZVERSA-N 428.868 5.993 30 10 IKEE O=C1/C(=C/c2ccccn2)Oc2cc(OC(=O)c3c(Cl)ccc(Cl)c3Cl)ccc21 1871382789 DRRYBVMXGMDDEN-MFOYZWKCSA-N 446.673 5.877 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OC(=O)c4cccc(OC(C)C)c4)cc(C)c3C2=O)c1 1871388266 MDWJZFKLXGCOTM-CFRMEGHHSA-N 428.484 5.926 30 10 IKEE CC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)c1 1871390160 JCFPMNFOYYOXRZ-QFHNRLETSA-N 440.451 5.312 30 10 IKEE Cc1cc(O)c(CN2C[C@@H](C)C[C@@H](C)C2)c2c1C(=O)/C(=C/c1c(F)cccc1Cl)O2 1871396793 VTIJSDRIDLNVCP-YHRJSEKKSA-N 429.919 5.587 30 10 IKEE C[C@H](Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O)C(=O)Nc1ccccc1Cl 1871407710 YVDRWNYMHHNGDI-ZDXHCBJDSA-N 437.854 5.501 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(Cl)cc4)ccc3C2=O)cc1 1871440992 RIEIWEMUSOQBMR-QRVIBDJDSA-N 433.891 5.536 30 10 IKEE CCCCCCCCN=c1nc(N2C[C@@H](C)C[C@@H](C)C2)[nH]c(=Nc2cccc(C)c2C)[nH]1 1871590790 LYGNYXLEUQIXDM-BGYRXZFFSA-N 438.664 5.331 30 10 IKEE C=CCN(CC=C)c1nc(=NCCCCCCCC)[nH]c(=Nc2ccc(F)c(Cl)c2)[nH]1 1871655352 FRNJSGVCWVECAV-UHFFFAOYSA-N 447.002 5.202 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccccc1C)[C@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872441725 SDHSUNKUVIINSX-KOSHJBKYSA-N 442.625 5.232 30 10 IKEE Cc1sc([C@@H](C#N)C(=O)CSCc2nc3ccccc3[nH]2)nc1-c1ccc(F)cc1 1872727966 IRAFONLRKPYPBR-INIZCTEOSA-N 436.537 5.244 30 10 IKEE N#C[C@@H](C(=O)c1ccc(F)c(F)c1F)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872762277 IAWCWFQHCOGXDD-NSHDSACASA-N 427.234 6.024 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1C 1872765289 LRNWSJWUXBLFIU-AWEZNQCLSA-N 427.869 5.179 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccc(C)cc3)n2)cc1 1872770431 TWKPKDSEZNFUSD-QFIPXVFZSA-N 434.561 5.943 30 10 IKEE CC(C)c1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 1872774264 MDTGSSCJOSMGMH-MVHVFESUSA-N 430.529 5.594 30 10 IKEE CCCCCCCCNC1=C(c2ccc(F)cc2)C(=O)N([C@H](CC)CCCCC)C1=O 1873137856 QLKYWWHAHOFAGU-JOCHJYFZSA-N 430.608 6.215 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(N(C)C)c2)=C(c2ccccc2C)C1=O 1873305461 FYLJWSYEWTTZIR-UHFFFAOYSA-N 433.596 5.614 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C)c(Cl)c2)=C(c2ccccc2C)C1=O 1873305568 LBGHSARESQANDC-UHFFFAOYSA-N 438.999 6.509 30 10 IKEE CCCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccccc1[N+](=O)[O-] 1874232817 SJALWVXHQPRQRM-KOEQRZSOSA-N 445.548 5.509 30 10 IKEE C=C(C)CSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccc(F)cc1F 1874255155 NATVUIXZRGSCEA-KBKYJPHKSA-N 442.535 5.611 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3C)n2/N=C/c2ccc[nH]2)cc1C 1874319688 DHYASPKMXKEHOD-VULFUBBASA-N 431.565 5.285 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccco1 1874376529 APNSXTXSEHJHMQ-ZMOGYAJESA-N 426.904 5.429 30 10 IKEE CN(C)c1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 1874416318 KAFMIJSEMXLOKZ-WPWMEQJKSA-N 445.567 5.249 30 10 IKEE Oc1cccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2Cl)c1 1874416806 JAXQGLWDZNGZRG-MFKUBSTISA-N 434.952 5.402 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2[C@@H]2CCCO2)cc1 1874445852 MPWDDUKOVWTMNC-PGLVWIQMSA-N 442.972 5.356 30 10 IKEE C=CCSc1nnc([C@@H]2CCCO2)n1/N=C/c1ccc(N(CC)Cc2ccccc2)cc1 1874448483 CWKDTSFDAFCFCR-HXTHCWADSA-N 447.608 5.316 30 10 IKEE Cc1ccccc1CSc1nnc(C(C)(C)C)n1/N=C/c1c(Cl)cccc1Cl 1874483042 AYYPCFPCSBTUGP-WYMPLXKRSA-N 433.408 6.365 30 10 IKEE CCc1ccc(/C=N/n2c(CC(C)C)nnc2SCC(=O)Nc2ccc(CC)cc2)cc1 1874487285 JLRQYBJELFQMQA-WGOQTCKBSA-N 449.624 5.214 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2ccc(C(C)C)cc2)cc1 1874489363 NWCLOIBOJJPRFE-CVKSISIWSA-N 449.624 5.521 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(CC(C)C)nnc2SCCc2ccccc2)cc1 1874490454 ROPSENNIEPURFR-LGUFXXKBSA-N 435.641 5.540 30 10 IKEE Cc1cccc(/C=N/n2c(CC(C)C)nnc2SCc2ccc(Cl)c(Cl)c2)c1 1874491227 GLSNXCWYOAREOK-WYMPLXKRSA-N 433.408 6.266 30 10 IKEE C(=N/n1c(SCc2cccc3ccccc23)nnc1C1CCC1)\c1cccc2ccccc12 1874496804 FUQMFFCTHHHZEI-RDRPBHBLSA-N 448.595 7.027 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1ccc(Br)cc1 1874504373 OXQPOZZGQJYBAC-LPYMAVHISA-N 429.387 5.476 30 10 IKEE CCCCOc1ccc(/C=N/n2cnnc2SCc2ccc(F)cc2)cc1OCC 1874536330 YDJCJYQWKKGMPG-AFUMVMLFSA-N 428.533 5.169 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(S)nnc1CCc1cccc2ccccc12 1874567587 FWPIBNHPKDVLGE-WPWMEQJKSA-N 438.556 5.549 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2c(F)cccc2Cl)cc1F 1874582202 CEEJTXVXJXUNLO-PKNBQFBNSA-N 444.861 6.111 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2nccs2)cc1 1874583674 AEIPEZIACYVZHI-VQHVLOKHSA-N 440.952 5.834 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)NCc2ccco2)c2ccccc12 1874591878 GTFONFUCYJWAOX-WYMLVPIESA-N 441.483 5.033 30 10 IKEE C=C(C)COc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1Br 1874607992 QNPFCEHQDMUFKG-YCRREMRBSA-N 436.143 6.063 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(OC)c1OCc1ccc(F)cc1 1874621848 XXFYCFWNJDXXSD-YRNVUSSQSA-N 446.474 5.767 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1cccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c1 1874693585 MHRGDFIMABDHPN-DTQAZKPQSA-N 442.511 5.698 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)CCc3ccccc3OC)c2)cc1 1874696796 MFBXLGWZPLWBCP-OVCLIPMQSA-N 446.499 5.147 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1OC(=O)[C@H](C)c1ccccc1 1874704239 DOUXBZNXLQTSMF-XSSIKURBSA-N 430.500 5.617 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc1OC(=O)c1ccccn1 1874708482 FPUOCNGCNGNKIB-FMIVXFBMSA-N 445.515 5.512 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3c(C)cc(C)cc3C)ccc2OC)cc1 1874716492 VEIDUWRWMYZILO-NTUHNPAUSA-N 444.527 6.134 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccccc2OCC)CSc2nnc(C3CC3)n21 1874845522 JARRDUALWGNBPD-HXUWFJFHSA-N 442.629 5.616 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCSC)c(Cl)c2)cc1OC 1875098807 QKBDCXBKRFHXPQ-RMKNXTFCSA-N 434.941 5.302 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H]3C[C@H]3c3ccccc3Cl)cc2)cc1C 1875107386 NNJJXHWITXGICU-GOMGBNIMSA-N 446.930 6.262 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)c3ccccc3)c(Cl)c2)cc1C 1875108642 YMBVVCRUAFWXMS-PEKVBPLLSA-N 434.919 6.262 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC(=O)Cc1ccccc1F 1875126698 UNNFHOWLLGCVQB-NTUHNPAUSA-N 438.882 5.922 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)c1cc2ccccc2n1C 1875128622 MAKYNWSMTHGAKP-FYWRMAATSA-N 425.484 5.692 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)c1cccc(C)c1 1875131632 HLRFCROZFYJWPW-ZRDIBKRKSA-N 430.500 5.744 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)c1cc(Cl)ccc1Cl 1875136364 LLABPJHXPQJQQO-VZUCSPMQSA-N 441.310 6.426 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(-n3cccc3)cc2)cc1 1875143858 UMCGNVJOUJFVGQ-OVCLIPMQSA-N 437.495 5.910 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1 1875149114 YWEJQARMTAXQSK-XDHOZWIPSA-N 442.555 6.427 30 10 IKEE CC(C)(C)C(=O)Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1Br 1875155385 VJTXONSIWNDHKY-ACCUITESSA-N 437.333 6.450 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OC(=O)c1ccc(C)c(C)c1 1875155796 AWKJDEKUDGUYDN-NTCAYCPXSA-N 436.507 6.581 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3OC)cc2)cc1C 1875186626 FPAJRJUKVMHNNG-RVDMUPIBSA-N 444.527 5.755 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)c1ccco1 1875190693 MGYYSZCXGHGQOX-WEVVVXLNSA-N 431.271 6.100 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3sccc3C)c(OC)c2)cc1C 1875191448 MSOOCYJDHHYWLS-SOFGYWHQSA-N 436.529 5.806 30 10 IKEE C=CCn1c(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc2c(NCCCCc3ccccc3)ncnc21 1875229846 HZEFNFUKOIEEIH-SFTDATJTSA-N 445.611 5.170 30 10 IKEE C=C(C)C[C@@H](NCCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875659931 GRQPBQPNRLGRIU-UHSQPCAPSA-N 445.603 6.212 30 10 IKEE CC1(C)OB(C=Cc2ccc(N(Cc3ccccc3)Cc3ccccc3)nc2)OC1(C)C 1888394351 ZYZGNHIUGKDEJI-UHFFFAOYSA-N 426.369 5.933 30 10 IKEE C[C@@H](C(=O)N1CCC(COc2cc(C#N)ccn2)CC1)c1ccc(-c2ccccc2)c(F)c1 1891452049 QCILMHCHZLQXFE-LJQANCHMSA-N 443.522 5.180 30 10 IKEE O=S(=O)(Nc1ccccc1C(F)(F)F)c1cc(C(F)(F)F)ccc1C(F)(F)F 1891881182 IGRPZMBYKMIROE-UHFFFAOYSA-N 437.283 5.544 30 10 IKEE CC(C)[C@H](Cc1ccccc1Br)C(=O)N1CCC(C#N)(c2ccccc2)CC1 1892323016 GYKPLATUFSQAEY-NRFANRHFSA-N 439.397 5.348 30 10 IKEE O=C(Nc1cccc(-c2ccc(C(F)(F)F)cc2)c1)Nc1cccc(C(F)(F)F)c1F 1892414669 DBZKXYMAHDZGHS-UHFFFAOYSA-N 442.334 7.174 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 1945528039 UTLJJFAFJWEGDS-AYOQOUSVSA-N 433.524 5.105 30 10 IKEE CCCCCCCC[C@@H](NCCC)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1946537100 AXRAYCOPHILFBB-DNQXCXABSA-N 434.665 6.215 30 10 IKEE CC1(C)CC[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)[C@H](OCc2ccccc2)C1 1953558577 RXLUPAVHYZEROX-YWEHKCAJSA-N 448.607 6.482 30 10 IKEE C=CCCCC[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NC 2009486462 FRVNCSLHXXNOOV-HSZRJFAPSA-N 429.649 5.270 30 10 IKEE CC[C@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2014642018 BNTRRBXYHPSVNC-JPYJTQIMSA-N 433.524 5.249 30 10 IKEE CC#CCCCC[C@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 2019508510 JCYFHDZWQYXNET-RPWUZVMVSA-N 430.633 5.439 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 2020309039 OKOAKFUMUFNQKA-HXOBKFHXSA-N 449.617 5.415 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1 2028026481 CYEHSSMVLLPNMF-CYFREDJKSA-N 447.576 5.268 30 10 IKEE C=CCN(CC[C@H](Cc1ccc(Br)cc1Cl)NC)C(=O)OC(C)(C)C 2037966161 ZFSDOTWWGXQIKE-MRXNPFEDSA-N 431.802 5.046 30 10 IKEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1C 2045239490 HDTVVNBKYDBRMB-DFBJGRDBSA-N 443.588 5.666 30 10 IKEE CC[C@@H]1[C@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)CC[C@@]1(C#N)NC(C)C 2058737662 KFTKAOUHSYTVGK-FCEKVYKBSA-N 432.656 5.070 30 10 IKEE Cc1ccc([C@H](C2CCC2)n2nc(C(C)C)c(C#N)c2I)c(F)c1 2079042660 OCYWOMXHROOLHP-SFHVURJKSA-N 437.300 5.320 30 10 IKEE COc1ccc([C@H](C(C)C)n2nc(C(F)(F)F)c(C=NO)c2Br)cc1C 2080004733 FRUCAOXJDFLMPM-AWEZNQCLSA-N 434.256 5.035 30 10 IKEE CC(C)Oc1ccc([C@H](C2CCC2)n2nc(C(C)C)c(C=NO)c2Br)cc1 2080118220 QFXJDVPDJGINBI-FQEVSTJZSA-N 434.378 5.754 30 10 IKEE N#Cc1c(C2CCCCC2)nn(Cc2ccc(F)c(C(F)(F)F)c2)c1Br 2080303277 CGDYGFMWDMJOGR-UHFFFAOYSA-N 430.243 5.771 30 10 IKEE CC(C)c1c(C(F)(F)F)nn2c(Cl)cc(-c3ccc(C(F)(F)F)c(F)n3)nc12 2081146948 DTBKVTWUJAEAFQ-UHFFFAOYSA-N 426.723 5.745 30 10 IKEE CC(C)[C@@]1(C)CSC(=Nc2ccc(Cl)c(I)c2Cl)N1 2093947912 LKDHHWUUXJXPEB-CYBMUJFWSA-N 429.154 5.337 30 10 IKEE C=CCN(CC[C@H](NCCC)c1cc(C)cc(Br)c1)C(=O)OC(C)(C)C 2134104516 IHKFWQNALIZRQP-IBGZPJMESA-N 425.411 5.611 30 10 IKEE C=C1CC(C[C@H](NCCC)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1 2134734156 NZEXZIBHBAFXKA-NDEPHWFRSA-N 441.615 7.242 30 10 IKEE CC(C)(C)OC(=O)N1CCCC12CCC(Nc1cc(Br)cc(C#N)c1)CC2 2167902237 FGWPQSWVGCLIPE-UHFFFAOYSA-N 434.378 5.445 30 10 IKEE Cc1cc(F)c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2C)c(Br)c1 2173404692 JEFNQVCFRNEJCD-GOSISDBHSA-N 433.321 6.211 30 10 IKEE CC(C)(C)OC(=O)N1CCN(c2cc(Br)cc(F)c2C#N)c2ccccc21 2174770190 SJEIHPMBAJGMGW-UHFFFAOYSA-N 432.293 5.353 30 10 IKEE CCCCN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(C#N)cc1Br 2174814784 LKXNDYVWMSDPBN-KRWDZBQOSA-N 436.394 5.327 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)Nc1ccc(F)c(C#N)c1 2181048654 SWDMEIJQZADJLH-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(C#N)c(Br)c2)cc1F 2181134976 MSQALZICZDPUAW-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE COc1cc(F)ccc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2204542471 AVNRXYOBXLULMN-QGZVFWFLSA-N 435.293 5.603 30 10 IKEE CCCC#C[C@@H](NCCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2218435993 TWVPLTXBAAVCPK-HHHXNRCGSA-N 427.588 6.689 30 10 IKEE C=C(Cl)C[C@H](NCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2221684501 KWNVWJDTJKFNQG-DLBZAZTESA-N 431.802 5.006 30 10 IKEE CCC#CC[C@H](NCCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237417212 NDQUGSJAYUSSED-VQTJNVASSA-N 437.422 5.057 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Br)cc(C(C)C)c1 2280709789 XUVCFEFPEXKREN-VQTJNVASSA-N 437.422 5.530 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@H](CC=C(C)C)NC(=O)OC(C)(C)C 2296305836 ZHGSGVSEKDQYJA-PMACEKPBSA-N 435.406 5.028 30 10 IKEE CCCCCCCCC=CCCCCCCCC(=O)NCCc1c[nH]c2ccc(O)cc12 2296557520 LCQKHZYXPCLVBI-UHFFFAOYSA-N 440.672 7.570 30 10 IKEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 2296944971 YYEFINMTJYEYEN-LJQANCHMSA-N 443.286 5.225 30 10 IKEE C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC(=Cc1ccc(OC(F)(F)F)cc1)C2=O 2297101942 GAKVNINHIOJQFK-FVEXOFTDSA-N 442.477 6.410 30 10 IKEE COc1ccc(C=C2Oc3c(ccc4c3[C@@H](c3ccc(O)c(Cl)c3)CC(=O)O4)C2=O)cc1 2297595867 OGVUEVZLBVSKDA-QGZVFWFLSA-N 448.858 5.111 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(Cl)cc2)cc1)c1ccc(Br)cc1 2314429225 BJFGPSSOODSLJT-UHFFFAOYSA-N 441.708 6.218 30 10 IKEE CC(C)c1ccc(C=C2Oc3cc(OCC(=O)c4ccc(Cl)cc4)ccc3C2=O)cc1 2314438565 XHCMGQOFINEYHP-UHFFFAOYSA-N 432.903 6.341 30 10 IKEE O=C1C(=Cc2cn(-c3ccccc3)nc2-c2ccccc2)Oc2ccc(Br)cc21 2314519440 OUVYWKICIXDYAK-UHFFFAOYSA-N 443.300 5.918 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N(Cc2ccccc2)[C@H](C)c2cccs2)n1 2315398998 LQHDTUBHBLLZAR-LJQANCHMSA-N 434.414 5.519 30 10 IKEE COc1ccc(CCN2COc3cc(C)c4c(c3C2)OC(=Cc2ccccc2)C4=O)cc1 2321937637 MDAQNLAKSRJIDA-UHFFFAOYSA-N 427.500 5.014 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(C2CCCC2)C4)cc1 2322016271 GGTQEUMWCNSABR-UHFFFAOYSA-N 432.564 5.552 30 10 IKEE CCN(CC)CCN1COc2ccc3c(c2C1)OC(=Cc1ccc(C(C)(C)C)cc1)C3=O 2322170519 HDHVVCBPXYAKET-UHFFFAOYSA-N 434.580 5.094 30 10 IKEE O=C(C=Cc1c(OCc2cccc(F)c2)ccc2ccccc12)c1ccc2c(c1)CCCC2 2322333414 ZHZIYYCJPQHTCF-UHFFFAOYSA-N 436.526 7.333 30 10 IKEE O=C(COc1ccccc1C=CC(=O)c1ccc(Cl)c(Cl)c1)NCc1ccco1 2322580304 BYOAFKHLOJTGEF-UHFFFAOYSA-N 430.287 5.178 30 10 IKEE O=c1c(Cl)c(NN=Cc2c(Cl)cccc2Cl)cnn1-c1ccc(Cl)cc1 2322609756 TWWZRZXLSQQDNJ-UHFFFAOYSA-N 428.106 5.292 30 10 IKEE COC(=O)COc1ccc(Br)cc1C=CC(=O)c1ccc(C(C)(C)C)cc1 2322681266 MNVNVCVPMQLCPZ-UHFFFAOYSA-N 431.326 5.195 30 10 IKEE COc1ccc(CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2322904213 DTDORIOKPWYDKA-UHFFFAOYSA-N 434.875 5.421 30 10 IKEE COc1cc(C=NNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(C(C)(C)C)cc1 2322969301 ULCXZBXWLNUKLP-UHFFFAOYSA-N 433.508 5.926 30 10 IKEE Cc1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2Cl)C3=O)cc1 2323063631 WIDXVSDXCLNZJS-UHFFFAOYSA-N 430.887 6.192 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1OCc1cccc(Cl)c1 2323072483 OYIVKQWMURVRBX-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(=O)CCCOc4ccccc4)ccc3C2=O)c1 2323177842 WZXCTCOHPWJDDW-UHFFFAOYSA-N 430.456 5.076 30 10 IKEE O=C(COc1cccc(C=CC(=O)c2cccc3ccccc23)c1)Nc1ccc(F)cc1 2323203531 WOLSXDXLIKEIMP-UHFFFAOYSA-N 425.459 5.893 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2cccc(OCC(=O)N[C@@H](C)c3ccccc3)c2)cc1 2323211535 NUSQTYYFIRKQQX-NRFANRHFSA-N 427.544 5.962 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)ccc1OCCc1ccccc1 2323353224 COTZMNRVAAKMDH-UHFFFAOYSA-N 448.562 7.270 30 10 IKEE Cc1c(OC(=O)c2ccc(OCC(C)C)cc2)ccc2c1OC(=Cc1ccccn1)C2=O 2323640991 LRDZUCNJNOOAFP-UHFFFAOYSA-N 429.472 5.260 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OC(=O)CCc4ccccc4)cc(C)c3C2=O)cc1 2323724039 LNFIJGJGKNWTLL-UHFFFAOYSA-N 428.484 5.548 30 10 IKEE COc1ccc(-c2csc(NN=Cc3ccc(OCc4ccccc4)c(OC)c3)n2)cc1 2323840476 IDUPQDGONIJKSV-UHFFFAOYSA-N 445.544 5.852 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2Cl)c(Br)c1)c1ccc(F)cc1 2324187080 NNZWMHGYNUJEPC-UHFFFAOYSA-N 445.715 6.717 30 10 IKEE CCCOC(=O)COc1c(OC)cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1OC 2324332184 LHTLFCWAUMGXFM-UHFFFAOYSA-N 440.536 5.166 30 10 IKEE Cc1ccc(NC(=O)CCOc2ccc3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)cc1 2325224533 BRNHMEXERSEHCJ-UHFFFAOYSA-N 442.515 5.085 30 10 IKEE COc1cccc(C=C2Oc3cc(OCCC(=O)Nc4ccc(C)cc4)ccc3C2=O)c1 2325224561 JFBWDYDFHDSENR-UHFFFAOYSA-N 429.472 5.027 30 10 IKEE CCc1ccccc1OCC(=O)Oc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC 2325740015 WMFUBBIPFIDHDM-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE CCc1ccccc1OCC(=O)Oc1cccc(C=CC(=O)c2ccc(OC)c(F)c2)c1 2325748731 YDRACNKJESPMGA-UHFFFAOYSA-N 434.463 5.277 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1OC(=O)Cc1ccccc1Cl 2325752945 AEZPNAGECLNWRX-UHFFFAOYSA-N 442.845 5.671 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)CSc3ccccc3)c2)c(OC)c1 2325761897 NNDZEHKKMUNQRC-UHFFFAOYSA-N 434.513 5.298 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1sccc1C 2326074098 UENPQLMKDLTWGY-UHFFFAOYSA-N 447.029 5.863 30 10 IKEE C=C(C)CSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1cc(C)ccc1O 2327005028 CWMXXDLHFZDUOI-UHFFFAOYSA-N 436.581 5.163 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1ccc(N(C)C)cc1 2327365854 OTXRNKDCJTVFBZ-UHFFFAOYSA-N 449.624 5.426 30 10 IKEE Cc1ccc(C=Nn2c(COc3ccccc3Cl)nnc2SCc2ccccc2)cc1 2327649360 SEANZCZSMUKDLB-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3F)n2N=Cc2ccc[nH]2)c(C)c1 2328899059 QDOQCTAXQXEZPZ-UHFFFAOYSA-N 435.528 5.116 30 10 IKEE Cc1ccc(CSc2nnc(CCOc3ccccc3)n2N=Cc2cccc(C)c2)cc1 2329151488 MCRMYNGDNJVKAU-UHFFFAOYSA-N 442.588 5.691 30 10 IKEE Cc1ccc(CSc2nnc(COCc3ccccc3)n2N=Cc2ccccc2C)cc1 2329301606 FYEZXROZSBLANW-UHFFFAOYSA-N 442.588 5.786 30 10 IKEE CC(C)(C)c1ccc(NC(=O)N[C@@H]2CCN[C@@H](C(=O)C=Cc3ccc(Cl)cc3)C2)cc1 2329669142 VDPFAESXDIXKHV-FGZHOGPDSA-N 439.987 5.162 30 10 IKEE COc1ccc(C=Nn2c(Cc3ccccc3F)nnc2SCc2ccccc2)cc1 2329741031 KEJGDYHSEAZMIF-UHFFFAOYSA-N 432.524 5.191 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)cc3)n2N=Cc2ccccc2C)cc1 2329933320 NTMCESLLMILXEX-UHFFFAOYSA-N 426.589 5.969 30 10 IKEE C=C(C)CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1c(Cl)cccc1Cl 2330103740 ZIVMNENZFYTOBY-OAHLLOKOSA-N 431.392 6.287 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCCc2ccccc2)n1N=Cc1ccccc1O 2330110993 FYYYRNQAXQVILJ-IBGZPJMESA-N 428.561 5.353 30 10 IKEE C=CCSc1nnc(CC2CCCCC2)n1N=Cc1ccc(OCCCCC)cc1 2330277449 RUCPPUSZUMXSHN-UHFFFAOYSA-N 426.630 6.130 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(Cc2cccs2)n1N=Cc1ccccn1 2330449092 YUWKKMYWOMPWQJ-UHFFFAOYSA-N 443.960 5.292 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)cc2F)cc1)c1ccc(-c2ccccc2)cc1 2330596454 APAMOZUNDWTZHS-UHFFFAOYSA-N 440.445 6.747 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Br)c(OC(=O)C(C)(C)C)c(OC)c2)cc1 2330761910 TYGBAHPQUOXHTH-UHFFFAOYSA-N 445.353 5.868 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)c(OC)c2)c1 2330800542 ZQZSCQSFKQYIRV-UHFFFAOYSA-N 446.543 5.722 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3c(C)cccc3C)c(OC)c2)cc1 2330992511 TYESESHFZNNITB-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE Fc1ccccc1CSc1nnc(C2CCCC2)n1N=Cc1ccc(C(F)(F)F)cc1 2331070906 CTFQRQQESDYDFL-UHFFFAOYSA-N 448.489 6.268 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1)c1cccc(Br)c1 2331084562 CKFGYLQZBJJVHJ-UHFFFAOYSA-N 443.243 5.843 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3)c(Cl)c2)cc1 2331195675 UVEANDBMZGCLRN-UHFFFAOYSA-N 434.919 6.173 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)COc1ccc(C)c(C)c1 2331235132 TZSPNAVATNNHIN-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)CCOc3ccccc3)c(Cl)c2)ccc1F 2331336221 VBZNPBHAHFWADX-UHFFFAOYSA-N 438.882 6.058 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCC(=O)Nc3ccccc3)nnc2C(C)(C)C)cc1 2331362614 HYPAYUKFAGDKSP-UHFFFAOYSA-N 435.597 5.312 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1 2331411869 LJJYWIYOTLGLNP-UHFFFAOYSA-N 434.535 7.253 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCC3)n2N=Cc2ccc(Cl)c(Cl)c2)c1 2331525729 KUGSNKGSYOCTSQ-UHFFFAOYSA-N 445.419 6.644 30 10 IKEE Cc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2Br)c1 2331706962 WKALDLDYLDORIN-UHFFFAOYSA-N 449.344 6.490 30 10 IKEE CCOc1c(C=Nn2c(SCc3cccc(Cl)c3)nnc2C(C)C)cccc1OC 2331708166 JOZSCJWEVBOIQO-UHFFFAOYSA-N 444.988 5.637 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2cccc(Cl)c2)nnc1C(C)C 2331708636 COHJKVZXSONDKY-UHFFFAOYSA-N 428.989 6.018 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)c1cncc(C)c1 2331712868 YDDPZLNJMOXTKV-UHFFFAOYSA-N 441.527 5.859 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)C(C)C)c(OCC)c2)c(OCC)c1 2331736571 HLSAUFXXBZEJJO-UHFFFAOYSA-N 426.509 5.340 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)cc(Cl)c1OC(=O)C(C)(C)C 2331857363 KIIVSTUXLWDEBY-UHFFFAOYSA-N 441.738 6.503 30 10 IKEE CC[C@@H](NC(=O)OC(C)(C)C)C(C)(C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339605231 BBVKLDHWHZFRNQ-LGHUBQEGSA-N 446.397 5.187 30 10 IKEE COc1nc(Nc2ccc(OCc3ccccc3)cc2C)ccc1B1OC(C)(C)C(C)(C)O1 2365344051 IRTKNGDICFQZMU-UHFFFAOYSA-N 446.356 5.020 30 10 IKEE CC(C)=CCC[C@@H](C=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3 5158721 BDXXTCGLJBYHHM-QHWOOOGRSA-N 440.712 7.658 30 10 IKEE COc1ccc(/C=C2\C[C@@H](C(C)(C)C)Cc3c2nc2ccccc2c3C(=O)OCC#N)cc1 12563607 NJORMWDVDORMNK-ZWUNQBBJSA-N 440.543 6.073 30 10 IKEE Cc1ccc(C(=O)C[C@@H]2S/C(=N\c3ccccc3C)N(c3ccccc3C)C2=O)cc1 15055227 BKCDFYNLWFLJTQ-QWEPBSKHSA-N 428.557 6.021 30 10 IKEE N#Cc1ccc(C(=O)Nc2cccc(OCc3nnc(-c4ccc(Cl)cc4)o3)c2)cc1 33307393 LFKXDHLJOBKMJR-UHFFFAOYSA-N 430.851 5.093 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)/C=C\c3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 33417060 JGSXFYJLSDWPHZ-RZUHQPDASA-N 440.455 5.086 30 10 IKEE N#CC1(C#N)[C@H](c2cccs2)[C@H](C(=O)c2ccc(F)cc2)N2c3ccccc3C=C[C@H]21 33554778 YXTPEHBSPSFMKJ-YTFSRNRJSA-N 425.488 5.171 30 10 IKEE COc1cc(/C=C\C(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1ccc(C)cc1 34955590 XKIWELHJCRUJAF-ZDLGFXPLSA-N 448.518 6.786 30 10 IKEE C/C(=N/OCc1ccc(C)cc1)c1cc(-c2ccc(F)cc2)n(-c2ccccc2F)c1C 35843421 YISYRLZZSUGDDM-FSGOGVSDSA-N 430.498 6.980 30 10 IKEE C=CCN(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)Nc1ccc(C)cc1 36115090 FBFAAOJVLVHWLU-UHFFFAOYSA-N 435.593 6.374 30 10 IKEE Cc1c(CO/N=C(\c2ccc(OC(F)(F)F)cc2)C2CC2)cccc1-c1ccccc1 39473029 OSLMVCSTZHVHBY-OLFWJLLRSA-N 425.450 6.892 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccc(C(C)C)cc1 40098406 SHFUAGANQCLEGQ-QHCPKHFHSA-N 447.531 5.943 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCc4ccc(C(=O)OC)cc4)cc(C)c3C2=O)cc1 41502174 JHOLDYWWMQISGO-OYKKKHCWSA-N 428.484 5.539 30 10 IKEE CCCCCCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(OC)cc2)c1 98021534 CLXMMDGPNTYLCG-RUZDIDTESA-N 440.609 6.163 30 10 IKEE C=C(C)COc1ccc(CNCCCCCCCCCCCCCCCC)cc1OC 100125580 XQDSTJBFOLMISU-UHFFFAOYSA-N 431.705 8.221 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(OC)ccc3ccccc13)N2 100367590 QKJBRMGKWPBSME-UNHDOIQYSA-N 441.615 8.024 30 10 IKEE CCCCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N/Cc1ccccc1 102153197 PBFNGFZVZGQPST-VHPLVOQASA-N 439.606 5.338 30 10 IKEE CCCCCCCCCn1c([C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)nc2ccccc21 102214092 BUMAOMBNLATPJK-QFIPXVFZSA-N 435.587 6.442 30 10 IKEE CCCCCCCCC/N=C\c1c(-c2ccccc2)[nH]n(-c2nc3ccccc3s2)c1=O 103067748 QTYNXWDCVBVOKC-DIBXZPPDSA-N 446.620 6.612 30 10 IKEE O=C1C=C(Cl)[C@@H]2C=C(Nc3ccccc3)[C@H]3C(=O)C=C(Cl)c4cc(Cl)c1c2c43 103693171 DKTMGOWAHFWZTD-YTEVENLXSA-N 428.702 5.998 30 10 IKEE CCCc1nnc(SCc2ccc(Br)cc2)n1/N=C\c1cccc(OC)c1 135882636 ICEJMWCYUDNTNO-XKZIYDEJSA-N 445.386 5.176 30 10 IKEE CCN1C(=S)N[C@@H](c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)C(C(C)=O)=C1C 169933427 XTWGJTYCXCJUIP-NRFANRHFSA-N 449.403 5.687 30 10 IKEE COc1cc(/C=N\Nc2nc(-c3cccs3)cs2)ccc1OCc1cc(C)ccc1C 169939985 YGKOMEKJAQKHIX-MXAYSNPKSA-N 449.601 6.522 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1cccs1)c1cc2ccccc2o1 169988206 XQKJJLMQPCMOLE-HXUWFJFHSA-N 437.423 5.555 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccc(C)o2)cc1 170101571 WURFLOIIPDYLOI-DEOSSOPVSA-N 431.488 5.089 30 10 IKEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc(C)c1 170147932 IOAMPBXZVXFOCX-VWLOTQADSA-N 442.559 5.068 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1ccc(C(C)(C)C)cc1 170150295 PAULCZKTKJFRFN-JOCHJYFZSA-N 447.531 5.727 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@@H]1c1cccnc1 170195867 CRVLRCVLZZUDFR-QFIPXVFZSA-N 436.552 5.156 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@@H]1c1ccc(Cl)cc1 170236218 GYKCOEXNAPQQBD-NRFANRHFSA-N 425.912 5.043 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@H]1c1ccc(F)cc1 170243366 YRGUZTNISDVZSW-OAQYLSRUSA-N 425.500 5.120 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1c[nH]c2ccccc12 170255334 FTRNOSZVIMEGOX-HXUWFJFHSA-N 443.330 5.853 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cn(C)c2ccccc12 170269249 LWRYNMLKBYNVJK-RUZDIDTESA-N 438.527 5.710 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2cccc(C)c2C)o1 170302578 SRZQRZJPPGGESV-VOIUYBSRSA-N 443.499 5.311 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccc(C)o2)cc1C 170302613 SMXMZHLRUJTGPY-XMMPIXPASA-N 445.515 5.613 30 10 IKEE CN1C(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)SC1=Nc1ccccc1 252623837 PAJLDDXCQWORLE-DRIWLZCMSA-N 434.948 6.153 30 10 IKEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CSc1cc(Cl)ccc1Cl 305170081 CKPNGFZOVOYVPM-UHFFFAOYSA-N 425.186 5.594 30 10 IKEE CCOc1ccc([C@H]2C(c3cccc(OC)c3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526607130 RRZKCPDNWUPOMP-DEOSSOPVSA-N 426.472 5.023 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccccc2F)c1 526818844 CRHBDILWYPGTFZ-QRQIAZFYSA-N 444.579 5.994 30 10 IKEE N#Cc1c(-c2ccc(F)cc2)csc1NC(=O)c1ccc(OCc2ccccc2)cc1 526913982 MLCUYRVVRYEKDC-UHFFFAOYSA-N 428.488 6.257 30 10 IKEE C=CCCN(c1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccc(Br)cc1 586206304 KUWQSNYWVNYLQS-UHFFFAOYSA-N 449.414 5.211 30 10 IKEE C=CCN(CC=C)C(=O)Nc1ccc(C(=O)Nc2ccc(OCCCCCC)cc2)cc1 586663129 FWVKDZSOKYAXLJ-UHFFFAOYSA-N 435.568 6.104 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1cnn(C(C)(C)C)c1 698491189 XFDYKABTTIKSOD-KRWDZBQOSA-N 433.350 5.407 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]([C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)C1 698869327 LUFUDTOXYBMDJH-WAIKUNEKSA-N 433.524 5.106 30 10 IKEE CC(C)[C@@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 698937575 ANVSFYQIBNOKBF-APWZRJJASA-N 435.540 5.256 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1 698959151 RXBDETDKNARIHX-MHECFPHRSA-N 429.561 5.276 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@@]1(C#N)CCc2c(Br)cccc21 710735295 LKYMLMHSEOXGJV-OAQYLSRUSA-N 447.760 6.209 30 10 IKEE Oc1c(Cl)cccc1C=Nc1ccc(OCC(F)(F)C(F)F)c(C(F)(F)F)c1 1084435448 ZLZZVSPDBXVBGH-UHFFFAOYSA-N 429.719 6.094 30 10 IKEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc2nc(O)n(C(C)C)c2c1 1627692078 FWICXRGHRYMFKT-UHFFFAOYSA-N 446.320 5.053 30 10 IKEE CN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=Nc1nc(-c2ccccc2)cs1 1772739136 PTECVQMRNPSKKU-ALRRYEELSA-N 446.384 6.351 30 10 IKEE Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N\NC(=S)Nc2cccc(F)c2)cc1 1857811065 JOOUGVXJUDAAJX-YSMPRRRNSA-N 429.524 5.307 30 10 IKEE CN(C(=O)c1cccc(-c2ccccc2)c1)c1ccc(NC(=O)c2cccc(C#N)c2)cn1 1858257542 MBVRCQBNXNIZGB-UHFFFAOYSA-N 432.483 5.149 30 10 IKEE N#Cc1c(NC(=O)Cc2ccc3c(c2)OCCO3)oc(-c2ccccc2)c1-c1ccccc1 1859650120 HURWGCKQGSTNFA-UHFFFAOYSA-N 436.467 5.438 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 1861220677 VXWMEYNIBMMLHF-LOSJGSFVSA-N 443.676 5.050 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](C)NC(=O)c1ccc(OCCCCCC)cc1 1861520140 JOKPTBJKTPBTDL-JOCHJYFZSA-N 432.649 6.021 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc(N(C)C)cc2)cc1 1862393945 AMZFGXYJCKNOBR-VWLOTQADSA-N 448.607 5.720 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1c(Cl)cccc1Cl 1862417023 UZCPPTROMPHORX-QGZVFWFLSA-N 426.246 5.260 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 1862478197 AUSJJVXBHPIVSV-SAWYMBPVSA-N 434.492 5.060 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2c(F)cccc2Cl)cc1 1862480613 KSQLLMRFJZUHIX-MWTRTKDXSA-N 449.909 6.127 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2cc(C)ccc2C)cc1 1862487134 TYXNNWLSXHTHSL-AREMUKBSSA-N 439.555 6.007 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccc(Cl)cc2)c1 1862491295 PJRSHHZLOLVZJK-KOSHJBKYSA-N 445.946 6.296 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc3c(c2)CCCN3C)ccc1F 1862509598 MDXWJIXTIRNRAA-DEOSSOPVSA-N 448.538 5.037 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccc(C)cc2)cc1 1862535130 ZZKMLRLCICIZPF-RUZDIDTESA-N 443.518 5.518 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862599854 MABVUOJSQHLQNU-GAJHUEQPSA-N 437.536 5.338 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1cccc(F)c1)c1cccc2ccccc12 1862649943 JYXXVPOWTDFBJY-VWLOTQADSA-N 437.470 5.757 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(O)cc1)c1cccc2ccccc12 1862650212 PYIPJFDVNZHPNE-AREMUKBSSA-N 449.506 5.366 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(C(C)(C)C)cc1 1862652440 IPLZJBRYOFEARU-DEOSSOPVSA-N 425.528 5.902 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)cc1 1862686927 CSKLVDJGFKNLGJ-VXWZWFMZSA-N 433.548 5.415 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CCC(C)C)c1 1862707524 XTZQRQDRZHRCCK-HSZRJFAPSA-N 437.536 5.108 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccccc1Cl)c1ccc2ccccc2c1 1862711882 FDNGIRBGROWHQV-HSZRJFAPSA-N 431.919 6.014 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccccc1C(=O)O)c1ccc2ccccc2c1 1862715101 RNVJWHXHJRCSSE-QHCPKHFHSA-N 441.483 5.059 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862717299 ADEPTZILTZPCBH-NYHFZMIOSA-N 430.460 5.125 30 10 IKEE CCOc1ccc(C2=C(Nc3ccccc3Cl)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862839449 OJGQMUWBWGKWCC-UHFFFAOYSA-N 443.890 5.007 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2Sc2ccccc2)=C(c2ccccc2Cl)C1=O 1863445881 MOVQZDHRXBMLDY-UHFFFAOYSA-N 446.959 5.869 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C)c(C)c2)=C(c2ccc(F)c(C)c2)C1=O 1863454927 GAFRNSYMKJXHNM-UHFFFAOYSA-N 436.571 6.303 30 10 IKEE CCCCCCCCNC1=C(c2ccc(Cl)c(Cl)c2)C(=O)N(CCCCC)C1=O 1863626721 CXGSWPGZNHVZTB-UHFFFAOYSA-N 439.427 6.214 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCC(C)C)=C(c2ccccc2OC)C1=O 1863769500 KKEQFMMTLGXGRX-UHFFFAOYSA-N 428.617 5.552 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2Cl)C(=O)N(CCc2cccs2)C1=O 1863781149 LIJOLTQCOQXEQE-UHFFFAOYSA-N 445.028 5.674 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1cc([N+](=O)[O-])ccc1OC 1866029912 OVKGJYNYYZLSIS-UHFFFAOYSA-N 434.621 7.803 30 10 IKEE C=CCN(CC=C)c1cc(N2CCN(c3ccccc3Cl)CC2)nc(-c2ccccc2)n1 1867971356 ARGFWOVGNIYQMW-UHFFFAOYSA-N 445.998 5.302 30 10 IKEE CCCn1cc(OCCc2ccccc2)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870191829 WBMDMQSDICYOBE-UHFFFAOYSA-N 447.604 5.364 30 10 IKEE C=CCn1cc(OCCOc2cccc3ccccc23)c(=O)cc1CN1C[C@@H](C)C[C@H](C)C1 1870593110 GRRXJDCPJIEAPS-VXKWHMMOSA-N 446.591 5.123 30 10 IKEE C#CCOc1cn(CCc2ccc(C)cc2)c(CNc2ccc(C(F)(F)F)cc2)cc1=O 1871004438 FLYKMDRESCAFEO-UHFFFAOYSA-N 440.465 5.042 30 10 IKEE COc1ccc([C@H](C)N2COc3cc(C)c4c(c3C2)O/C(=C\c2ccco2)C4=O)cc1OC 1871354021 FCZMYIKKJJPACV-GGNAWJQTSA-N 447.487 5.135 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN(CCC2=CCCCC2)C3)C1=O 1871355242 ZMENSSNUAZAGPS-XYGWBWBKSA-N 445.559 6.052 30 10 IKEE CC(=O)Nc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2C)C3=O)c1 1871365082 NDZNMTBJYVQOOQ-QRVIBDJDSA-N 427.456 5.097 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O 1871368897 UFUFLSPLQRBYCO-XKZIYDEJSA-N 439.294 6.148 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1C 1871372321 KLNYBYIALXWWRN-XKZIYDEJSA-N 429.428 5.355 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccncc1)C2=O)c1cccc(Oc2ccccc2)c1 1871379042 HQUZXVHVUJLEDY-MYYYXRDXSA-N 435.435 5.709 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccncc2)C3=O)c(OCC)c1 1871386745 LAGZQEBEZKYCQB-UCQKPKSFSA-N 445.471 5.023 30 10 IKEE O=C1/C(=C/C=C/c2ccccc2)Oc2c1ccc(O)c2CN1CCC(N2CCCCC2)CC1 1871398632 MTMSETHDMPGIFJ-GBYMPPBLSA-N 444.575 5.015 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc3ccccc3c2)cc2c1C(=O)/C(=C/c1cccs1)O2 1871419219 FUWVFXCSBDJTEX-UCQKPKSFSA-N 441.508 5.843 30 10 IKEE CCc1cccc(CC)c1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(C)o1)C2=O 1871455188 FAAOFEYSXVFYPJ-UCQKPKSFSA-N 431.488 5.347 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1cccs1 1872445153 BTOLHEYEOPJPIC-HXUWFJFHSA-N 434.627 5.246 30 10 IKEE N#C[C@@H](C(=O)Cc1cc(Cl)ccc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872763064 DAAUYEWSYJSZMG-HNNXBMFYSA-N 432.288 5.444 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3cc(OC)ccc3OC)n2)cc1 1872765011 DXWYICIYVDNZSA-SDNYCIMKSA-N 446.572 6.060 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 1872765417 OIOUMSWAKVPHOQ-GOSISDBHSA-N 439.924 6.204 30 10 IKEE C=CCOc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2ccc(OCC)cc2)cs1 1872768403 RPGMGZKACGFXFC-LJQANCHMSA-N 434.517 5.029 30 10 IKEE Cc1cccc(N2C(=O)c3ccc(C(=O)[C@@H](C#N)c4nc(C(C)C)cs4)cc3C2=O)c1C 1872774444 REKKFXUNBCRZID-LJQANCHMSA-N 443.528 5.174 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@@H](C#N)C(=O)CCOc3ccccc3)n2)c1 1872781147 PLJMTOMTFSODJC-FQEVSTJZSA-N 436.533 5.253 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@@H](C#N)C(=O)c3cccc4ccccc34)n2)c1 1872781852 YXFZHMIHDARFQF-QFIPXVFZSA-N 442.540 6.251 30 10 IKEE COc1c(Cl)cc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(F)cc3)n2)cc1Cl 1872785088 FHZPJLHMOUZCSX-NFBGWVBBSA-N 447.318 6.154 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@@H](C#N)C(=O)COc2ccc(C)c(C)c2)n1 1872786713 QHEZMTAJRAPSCS-SFHVURJKSA-N 440.952 5.653 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(C(C)C)cc3)n2)cc1C 1872788193 WQRDSVGXHZSVRF-YVWYTEFXSA-N 430.573 6.449 30 10 IKEE CCCCN(CC)CC(=O)[C@@H](C#N)c1nc(-c2ccc(Br)cc2)c(C)s1 1872800258 PLFHDAQHEDVTHG-QGZVFWFLSA-N 434.403 5.179 30 10 IKEE C=CCN(CC=C)C(=O)c1ccc2[nH]c(-c3ccc(OCc4ccc(C)cc4)cc3)nc2c1 1873504110 HWTJVDXKFDPFMF-UHFFFAOYSA-N 437.543 5.932 30 10 IKEE Cc1ccccc1CSc1nnc(C(C)C)n1/N=C/c1c(C(=O)O)n(C)c2ccccc12 1873505214 FUXIWINWAJCXCV-DHRITJCHSA-N 447.564 5.074 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)Nc1cccc(C(C)(C)C)c1)n2Cc1ccco1 1873614737 ANOGZCJXTWIWCB-UHFFFAOYSA-N 429.524 5.220 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)cc2)cc2c(NCc3ccc(C)cc3)ncnc21 1873641798 MYIXWEPHJZPNMI-UHFFFAOYSA-N 431.927 5.444 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)cc2)cc2c(N(C)Cc3ccccc3)ncnc21 1873660339 HWYDETAGVLGOLD-UHFFFAOYSA-N 431.927 5.159 30 10 IKEE CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1cc(Cl)ccc1O 1874244301 YSZRVZDWZOHBCY-ZMOGYAJESA-N 431.005 5.390 30 10 IKEE CCCCC1CCC(c2nnc(SC)n2/N=C/c2cc(OC)c(OC)cc2OC)CC1 1874284315 ZOVXFFYVRVXYLN-BUVRLJJBSA-N 446.617 5.372 30 10 IKEE CCCCC1CCC(c2nnc(SCc3cccc(C)c3)n2/N=C/c2ccccc2)CC1 1874285686 STASHJAKIKMKPC-TURZUDJPSA-N 446.664 7.225 30 10 IKEE C=C(C)CSc1nnc(COc2c(C)cccc2C)n1/N=C/c1cccc(OCC)c1 1874299885 XXBSHZWGIXTLQH-AFUMVMLFSA-N 436.581 5.423 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2OC)n1/N=C/c1ccc(C(C)C)cc1 1874314415 RZUXNSGHZGGTAP-WGOQTCKBSA-N 434.609 5.746 30 10 IKEE Cc1cccc(CSc2nnc(CCCOc3ccccc3)n2/N=C/c2ccco2)c1 1874317046 DHBZPKDTRRCQRR-KOEQRZSOSA-N 432.549 5.366 30 10 IKEE C=CCSc1nnc(CCOc2ccccc2)n1/N=C/c1ccc(OCCCC)cc1 1874346984 PUWJGEKMPGPFAF-NCELDCMTSA-N 436.581 5.239 30 10 IKEE COc1ccc(Cc2nnc(SCc3cccc(C)c3)n2/N=C/c2sccc2C)cc1 1874350248 BOLSXHYVBJVYNY-MFKUBSTISA-N 448.617 5.730 30 10 IKEE Cc1ccccc1/C=N/n1c(CCc2ccccc2C)nnc1SCc1cccc(F)c1 1874361742 SWVJMXJZZKVWFD-OGLMXYFKSA-N 444.579 5.994 30 10 IKEE CCCSc1nnc(CCc2ccccc2C)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874361868 ASAYSXISIDFUCD-ZVHZXABRSA-N 444.988 5.124 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(CCc3cccs3)nnc2SCC)cc1 1874370855 UZSIHIMZZULAFK-HAVVHWLPSA-N 428.627 5.688 30 10 IKEE COC(=O)c1ccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2cccs2)o1 1874407888 USKWUUFSMRAGPL-LPYMAVHISA-N 444.582 5.017 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(Cc2ccccc2)n1/N=C/c1ccc[nH]1 1874418267 HOTQLJZYKXMDQB-DHRITJCHSA-N 442.375 5.678 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2-c2cccs2)cc1 1874420376 JATNDXARFQMFHH-PCLIKHOPSA-N 448.617 6.278 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2-c2cccs2)cc1 1874420900 JZMIYSDYVUESKT-ZVHZXABRSA-N 438.553 5.719 30 10 IKEE Cc1cccc(CSc2nnc(CC(C)(C)C)n2/N=C/c2ccc(C(F)(F)F)cc2)c1 1874437919 ZYYQTSNNTUQBMG-MZJWZYIUSA-N 446.542 6.368 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CCCC2)cc1 1874456127 BQVUUIJRQRJKCL-CVKSISIWSA-N 439.028 6.887 30 10 IKEE C=CCSc1nnc(-c2ccco2)n1/N=C/c1ccc(N(CC)Cc2ccccc2)cc1 1874468007 MQLXXDISKXPXGW-NLRVBDNBSA-N 443.576 5.725 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874515686 LAHJDCXJXODZGD-OPEKNORGSA-N 438.906 6.248 30 10 IKEE Sc1nnc(C2CCCC2)n1/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 1874560167 JSTUGGUHLOBYSU-WYMPLXKRSA-N 447.391 5.992 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(C)ccc2C)c1OCC(=O)Nc1cc(C)ccc1C 1874580431 NPEYYKXBZUWDIC-BUHFOSPRSA-N 443.543 5.842 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cc(Br)ccc2OCc2ccccc2F)c1 1874580608 WUXRLFJFSIOTJV-PKNBQFBNSA-N 439.324 6.680 30 10 IKEE C=CCOc1c(Br)cc(Br)cc1/C=C/C(=O)c1ccc(F)cc1 1874583932 NMJUQIHEJUKJAI-VMPITWQZSA-N 440.106 5.812 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)c1OCc1ccccc1C 1874592655 VOOPQKINXOIMCW-FYWRMAATSA-N 448.515 5.505 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OCC(N)=O)c(Cl)c2)cc1 1874625427 DPDFZUPHTXUMHH-NTUHNPAUSA-N 429.944 5.449 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(OC)c1OCC(=O)NCCC 1874635342 MCQORPUYOMPNLP-ZHACJKMWSA-N 435.564 5.150 30 10 IKEE COc1ccccc1CC(=O)Oc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC 1874698896 SMHMVLGGBHMCFE-YRNVUSSQSA-N 438.426 5.026 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1OC(=O)CSc1ccccc1 1874699907 SEJNXCFCMNJABS-YRNVUSSQSA-N 440.467 5.567 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cccc(OCC)c3)c2)cc1 1874703372 MPBIXXUHYXQGCL-LFIBNONCSA-N 430.500 5.989 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1Cl 1875155587 JLMFEZHHCIVXIC-RIYZIHGNSA-N 448.946 6.516 30 10 IKEE C=CCn1c(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc2c(NCc3ccccc3Cl)ncnc21 1875228278 IPJOEMZWDSMJEQ-IRXDYDNUSA-N 437.975 5.001 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3sc4ccccc4c3Cl)ccc21 1890677655 PYVUVPQCRQWNRE-UHFFFAOYSA-N 440.952 5.745 30 10 IKEE Cc1nc2cc(NC(=O)C3CCN(c4oc(-c5cccs5)nc4C#N)CC3)ccc2s1 1891628706 FCLGPWUYXSVAQL-UHFFFAOYSA-N 449.561 5.048 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)[C@H]2CC[C@H]21 1907787887 FXWHKWMVTRTBKW-XLNZFTOWSA-N 433.593 5.238 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@]1(C#N)C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 1909321100 IRLAGTGWLGGESW-VTKNMLBTSA-N 438.593 5.763 30 10 IKEE CCCCCCCC[C@H](CCCN(Cc1ccccc1)C(=O)OC(C)(C)C)NCCC 1915233389 OQEVAZPVOSANCN-RUZDIDTESA-N 432.693 7.323 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CCC[C@@]2(C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 1918324811 ZKWGPJXOKDDAPZ-DEOSSOPVSA-N 445.535 5.251 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@]1(C(C)C)CCN(C(=O)OC(C)(C)C)C1 1922090596 AOBUWWMIRKBSLW-ZEQKJWHPSA-N 430.633 5.411 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 1922107205 JYKWQEGTJLWRJZ-QHCPKHFHSA-N 442.625 5.465 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@]1(C#N)[C@@H](CNC(=O)OC(C)(C)C)CCC12CCC2 1924921093 VAFQTFWCKIVPEJ-HOYKHHGWSA-N 435.609 5.247 30 10 IKEE C=C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(C)C)[C@@H](CC(C)C)C(=O)O 1927537860 BFWIEMQBKFUIJS-IGKIAQTJSA-N 435.564 5.853 30 10 IKEE CC[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)CN1Cc1ccccc1 1942581097 QFKBKLQBHJSHNA-CPJSRVTESA-N 439.987 6.028 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCC[C@@H]1CNC(=O)OC(C)(C)C 1944588087 IKRYMOIOFHPMJD-HOYKHHGWSA-N 429.561 5.324 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[C@]2(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1953300252 XXFVVEBFILEUGR-AJGMTHFWSA-N 441.572 5.009 30 10 IKEE CCCCCCC[C@H](NC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997462503 UQSRFHFTPLQXBV-OZXSUGGESA-N 432.649 5.779 30 10 IKEE C=CCN(C[C@@H](Cc1ccc(Cl)cc1Br)NCC)C(=O)OC(C)(C)C 2028184124 NKFPPPGXZGLPPJ-MRXNPFEDSA-N 431.802 5.046 30 10 IKEE CCOc1cc(C=C2CCc3c(C)cc(C)cc3C2=O)cc(Br)c1OCC 2040458717 ZYFTZWKJBNCUEJ-UHFFFAOYSA-N 429.354 6.076 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@]1(C=O)Cc1ccc(Cl)c(Br)c1F 2047986357 ZOPHZPOXISMGOM-GOSISDBHSA-N 434.733 5.143 30 10 IKEE FC(F)(F)c1cc(N=C2N[C@@H](c3ccccc3)[C@H](c3ccccc3)N2)cc(C(F)(F)F)c1 2069376669 ZAQVVEJYDAQVNB-PMACEKPBSA-N 449.398 6.387 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)[C@H]1C(C)(C)C 2076161250 KKHVQUQEERGZFR-KOSHJBKYSA-N 447.551 5.495 30 10 IKEE CC[C@@H](c1ccc(C)cc1C)n1nc(C2CCC2)c(/C=N/O)c1I 2079041525 ZDYQLUKVQSRZIZ-RYFGYPJOSA-N 437.325 5.180 30 10 IKEE CCc1nn([C@@H](c2ccc(C3CCC3)cc2)C2CC2)c(I)c1C#N 2079927695 UXVWQQZTNRUZEV-IBGZPJMESA-N 431.321 5.189 30 10 IKEE N#Cc1c(C2CCCC2)nn2c(Cl)cc(-c3cccc(I)c3)nc12 2081399702 XEWHSNREYDNFNA-UHFFFAOYSA-N 448.695 5.184 30 10 IKEE C=CCN(CC[C@H](Cc1cc(Cl)c(C)c(Br)c1)NC)C(=O)OC(C)(C)C 2111271405 AKWPLGDPFAUJHS-MRXNPFEDSA-N 445.829 5.355 30 10 IKEE C=CCCCCCC[C@H](NC)c1ccc(I)c(Br)c1 2141922883 JWZVVBWVZDFBGW-INIZCTEOSA-N 436.175 5.841 30 10 IKEE CCCCCCCCC[C@H](NCC)c1csc(Br)c1Br 2150343944 YWJHPEXEBAJKIT-AWEZNQCLSA-N 425.274 7.064 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2cc(Br)ccc2C)c1 2154787167 HBQJRBWJJWSVPM-IBGZPJMESA-N 431.330 5.773 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCCN(C(C)(C)C)C1 2158633702 CYTVIVFGAUYGFE-NRFANRHFSA-N 436.394 5.347 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)cc(C)cc1Br 2173459582 XFYOQNHBBIPLEV-HKUYNNGSSA-N 443.401 5.797 30 10 IKEE CCCN(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1cccc(Br)c1C#N 2174813511 XEYPZSNUMQUWMR-INIZCTEOSA-N 436.394 5.327 30 10 IKEE N#Cc1c(F)cc(Br)cc1NC[C@]12CCC[C@H]1CCN2Cc1ccccc1 2197379122 YAWRWTIARLULNN-HTAPYJJXSA-N 428.349 5.317 30 10 IKEE COc1cc(F)ccc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2204543344 MGVCBULZFKNUME-QGZVFWFLSA-N 435.293 5.603 30 10 IKEE C=C1CC([C@H](NC)c2sc(Br)c(Br)c2Br)C1 2212249816 YMJMGWLSPUQUMN-VIFPVBQESA-N 430.003 5.262 30 10 IKEE CCN[C@H](CC=CC#CC(C)(C)C)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2256740085 RIRQSUPBYWVMJI-JRFVFWCSSA-N 442.644 5.459 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](Nc2c(Br)cccc2C#N)Cc2ccccc21 2285240549 FWQQKCAYCNDMNR-MRXNPFEDSA-N 428.330 5.099 30 10 IKEE CCCCN1C(=O)C(=C2Sc3ccccc3N2C)SC1=Nc1ccc(C)cc1O 2295195998 IELOJIVTFDAMDC-UHFFFAOYSA-N 425.579 5.475 30 10 IKEE CCCCN=C(c1ccccc1)c1sc2nc(C)cc(C)c2c1NC(=O)c1ccccc1 2296742084 PQDCVACEIDDUBM-UHFFFAOYSA-N 441.600 6.803 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@]2(C)CCCCN2C(=O)OC(C)(C)C)c1 2318945699 BSXLONRVWGRSTJ-NLFFAJNJSA-N 443.588 5.808 30 10 IKEE CCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1N=Cc1cccc(C)c1 2321402817 JTBYYUGNSZXABX-UHFFFAOYSA-N 443.016 5.863 30 10 IKEE Sc1nnc(-c2cccs2)n1N=Cc1ccccc1OCc1ccccc1Cl 2321947012 TXABBIGWMCTHQG-UHFFFAOYSA-N 426.954 5.410 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=CC=Cc1ccccc1)O3)CN(CCOc1ccccc1)CO2 2322038367 RSPORAIYFBSAET-UHFFFAOYSA-N 439.511 5.398 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(N(C)C)cc1)O3)CN([C@@H]1CCCC[C@@H]1C)CO2 2322153257 RUAZZHCHHKOTNP-HTAPYJJXSA-N 432.564 5.408 30 10 IKEE O=C(C=Cc1cc(Br)ccc1OCc1ccccc1)c1ccc2c(c1)OCO2 2322691864 NOXZXJFVVOHPCU-UHFFFAOYSA-N 437.289 5.653 30 10 IKEE COc1cc(C(=O)C=Cc2ccccc2OCc2cccc(F)c2)c(OC)cc1Cl 2322867198 LJAUXUBSFYZCPO-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Br)cc(OC)c2OC)c(OCC)c1 2322922602 CZGNNFNOSQMWMZ-UHFFFAOYSA-N 435.314 5.160 30 10 IKEE CCOc1c(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc(Br)cc1OC 2322937489 FKYPWENDBRCEON-UHFFFAOYSA-N 439.733 5.723 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc(C)c3C2=O)c1 2323279723 ZHRDPHRQYVNJHA-UHFFFAOYSA-N 445.427 5.056 30 10 IKEE O=C(C=Cc1ccc(OCCCO)c(Br)c1)c1ccc(Cl)cc1Cl 2323514610 KJDIQDCNRUKDNO-UHFFFAOYSA-N 430.125 5.413 30 10 IKEE Sc1nnc(Cc2cccs2)n1N=Cc1cccc(OCc2ccc(Cl)cc2)c1 2323556942 IVCPOKWPJYTFCW-UHFFFAOYSA-N 440.981 5.334 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(OC(=O)c3cc4ccccc4oc3=O)c2C)C1=O 2323573674 FBVXBKOQGSUZSC-UHFFFAOYSA-N 444.464 5.307 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)ccc1OCC(=O)Nc1ccc(C)cc1C 2323626909 FSNCBNJWBBELGX-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE Cc1cc(OC(=O)CCOc2ccccc2)cc2c1C(=O)C(=CC=Cc1ccccc1)O2 2323688209 SAJQEMKSUZRBFC-UHFFFAOYSA-N 426.468 5.542 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4cccc(OC(C)C)c4)cc(C)c3C2=O)cc1 2323809131 ZOFFXAXYJMGKRI-UHFFFAOYSA-N 428.484 5.926 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OCc1cccc(F)c1 2323865803 DWRKXDDQXGVUNJ-UHFFFAOYSA-N 430.519 6.655 30 10 IKEE COc1cc(C=NNc2nc(-c3ccccc3)c(C)s2)cc([N+](=O)[O-])c1OC(C)C 2323870701 QVGCRZSULGCSLS-UHFFFAOYSA-N 426.498 5.269 30 10 IKEE COc1ccccc1C=C1Oc2cc(O[C@@H](C)C(=O)Nc3ccc(C)cc3)ccc2C1=O 2324372237 KOUDEMGJZYQRST-KRWDZBQOSA-N 429.472 5.026 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc(O[C@H](C)C(=O)Nc3ccccc3)c2C)C1=O 2324405507 HUMLELNNQJOOAV-QGZVFWFLSA-N 429.472 5.026 30 10 IKEE N#C[C@H](C(=O)C=Cc1ccccc1Cl)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2324534961 TZEXXCYXOVFCEZ-CQSZACIVSA-N 433.747 6.660 30 10 IKEE Cc1ccccc1C=C1Oc2cc(O[C@H](C)C(=O)Nc3ccc(Cl)cc3)cc(C)c2C1=O 2324620565 KBACJIXXFQTQAX-QGZVFWFLSA-N 447.918 5.979 30 10 IKEE COC(=O)c1cccc(COc2cc(C)c3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)c1 2324753139 KTMTUFLQZQZCMQ-UHFFFAOYSA-N 442.511 6.100 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1ccc2c(c1C)OC(=Cc1cccs1)C2=O 2325005393 VOLGZHHFRPZITC-UHFFFAOYSA-N 433.529 5.561 30 10 IKEE CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1C)OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2325086524 WPQVBWZFQRAKAO-OAQYLSRUSA-N 436.548 6.019 30 10 IKEE COc1cccc(C=C2Oc3cc(OCc4cccc5ccccc45)ccc3C2=O)c1OC 2325272259 IAYFWSZDRVZVRQ-UHFFFAOYSA-N 438.479 6.052 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(O)cc2)cc2c1C(=O)C(=Cc1ccc(C(C)C)cc1)O2 2325551082 HGKWRYWWDQORBC-UHFFFAOYSA-N 443.499 5.458 30 10 IKEE Fc1cccc(Cl)c1CSc1nncn1N=Cc1cccc(Br)c1 2325669298 NHYJMZSQLZPPFS-UHFFFAOYSA-N 425.714 5.008 30 10 IKEE Cc1ccc(C)c(OCC(=O)Oc2cccc(C=CC(=O)c3ccccc3Cl)c2)c1C 2325717714 YPEOMTRZGMYELF-UHFFFAOYSA-N 434.919 6.146 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2OC)cc1OC(=O)c1c(F)cccc1Cl 2325723304 WPDJKUNHBHQJNI-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cc(OC)cc(OC)c3)c2)cc1 2325734614 FNNHXMULBJNTTB-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1OC(=O)CCCSC 2325765356 YMWVHSYORFGCHS-UHFFFAOYSA-N 440.605 6.246 30 10 IKEE CCCOc1cc(C=Nn2c(CC)nnc2SCc2ccc(C)cc2C)ccc1OC 2326442558 ZXIWQXRNAMJKHX-UHFFFAOYSA-N 438.597 5.429 30 10 IKEE CCCOc1cc(C=Nn2cnnc2SCc2cccc3ccccc23)ccc1OC 2326632939 YMUPTLOGSAGZJL-UHFFFAOYSA-N 432.549 5.403 30 10 IKEE CCCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1cccc(Cl)c1 2327026538 YOMIEQBTVHUENU-UHFFFAOYSA-N 428.989 5.636 30 10 IKEE CCCOc1ccccc1C=Nn1c(Cc2cccc3ccccc23)nnc1SCCC 2327779295 OKAZDNMHPSHJEJ-UHFFFAOYSA-N 444.604 6.195 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccc(C)c(C)c3)n2N=Cc2cccnc2)c1 2328781855 BXKXCNBEGOAFIF-UHFFFAOYSA-N 443.576 5.352 30 10 IKEE COc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2N=Cc2ccccn2)cc1 2329292508 VLEKNGCZMRIDMW-UHFFFAOYSA-N 449.967 5.100 30 10 IKEE Cc1cccc(C=Nn2c(Cc3ccc(C)c(C)c3)nnc2SCCc2ccccc2)c1 2329430399 BQRUDVZHYPYTFN-UHFFFAOYSA-N 440.616 6.011 30 10 IKEE Fc1ccc(C=Nn2c(COc3ccccc3)nnc2SCc2cccc(F)c2)cc1 2329898484 UTVLHUWHMLOGMN-UHFFFAOYSA-N 436.487 5.310 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3)n2N=Cc2cccc(Cl)c2)c1 2330469819 OQFYPZWDAKZNCB-UHFFFAOYSA-N 432.980 6.005 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2c(F)cccc2Cl)nnc1-c1cccs1 2330619110 TUNGOJALXOFHOF-UHFFFAOYSA-N 442.972 6.282 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)Cc1ccccc1 2330705173 PJWHLIAIOIXUMO-UHFFFAOYSA-N 426.512 5.618 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C(F)(F)F)cc3)cc2)c1 2330776892 IHFJESWHGJLIEF-UHFFFAOYSA-N 426.390 5.829 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccccc1O 2330873433 UEYRGAWLUXLQJK-UHFFFAOYSA-N 449.407 6.054 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)cc2)cc(OC)c1OC(=O)c1cncc(C)c1 2330989815 LWUQNODRPDFQPK-UHFFFAOYSA-N 443.499 5.251 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2[N+](=O)[O-])cc1 2331170297 YCEYNESXHPJGBN-UHFFFAOYSA-N 445.471 5.428 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)COc1ccccc1 2331216526 MAQGVKFMWPKRPA-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE Clc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2-c2ccco2)cc1 2331224301 HKXPLXOFIZMNFX-UHFFFAOYSA-N 429.332 6.019 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3)cc2OC)c1 2331293510 TUWTYCCXUMQVFF-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3[N+](=O)[O-])cc2)cc1 2331294061 LQRZCKIDDPHXQW-UHFFFAOYSA-N 445.471 5.428 30 10 IKEE COCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1cccc(Cl)c1 2331319470 XELNMSOSWKIBMF-UHFFFAOYSA-N 439.343 5.087 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(Cl)c(OC(=O)CCCSC)c(OC)c1 2331351760 WUPWPHFBOHNCHT-UHFFFAOYSA-N 448.968 5.610 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)[C@H](C)c1ccccc1 2331430584 MHHCXMOXZXQBMV-HXUWFJFHSA-N 442.555 6.598 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)c1ccccn1 2331488956 LFKIYZPLMLTHRB-UHFFFAOYSA-N 435.907 5.982 30 10 IKEE COCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(Cl)cc1Cl 2331555218 OABWYWKPHTWWSI-UHFFFAOYSA-N 425.316 5.045 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)ccc1OC(=O)C1CCC1 2331597223 RIDWYRVOHPYOMN-UHFFFAOYSA-N 442.511 6.479 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)COc1ccccc1 2331632211 FCDCPWQGKHZPES-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1OC(=O)C(C)(C)C 2331649129 FHDZMBXXYKXVRC-UHFFFAOYSA-N 442.983 6.820 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCSC)c(Cl)c2)c(OC)c1 2331721892 AVWJZITTXXULGM-UHFFFAOYSA-N 434.941 5.302 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)C(C)(C)C)c(Br)c2)c(C)c1 2331768983 AAIQTOGLMOIEOP-UHFFFAOYSA-N 429.354 6.222 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(N(C)C)cc3)cc2)cc1Cl 2331818771 RTYXZNVXSWCMRO-UHFFFAOYSA-N 435.907 5.530 30 10 IKEE C=C(C)[C@@H]1CC[C@@]2(CO)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)C(=O)CC[C@@]34C)[C@H]12 2333224063 JYDNKGUBLIKNAM-BIRRXDFYSA-N 440.712 7.205 30 10 IKEE CCCCCCCCC=CCCCCCCCC(=O)O[C@@H](CC(=O)O)C[N+](C)(C)C 2333262334 IPOLTUVFXFHAHI-QHCPKHFHSA-O 426.662 6.117 30 10 IKEE N#Cc1cc(NCc2ccc(Cl)c(I)c2)ccc1Br 2337222178 XCCNXBVLCVJWNG-UHFFFAOYSA-N 447.501 5.191 30 10 IKEE CC#CCN(C[C@H](NCCC)c1sc(Br)c(C)c1C)C(=O)OC(C)(C)C 2337914303 YWPHJUXWPJUUNQ-INIZCTEOSA-N 443.451 5.429 30 10 IKEE COC1(C#C[C@@H](N)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCCC1 2338295284 XBETYVLXKBASBV-AREMUKBSSA-N 441.571 5.807 30 10 IKEE CC1(C)C[C@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CN1Cc1ccccc1 2339541404 LNABULIUXUPHAF-FRFYRWIFSA-N 433.405 5.191 30 10 IKEE CN(c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CN(Cc2ccccc2)C(C)(C)C1 2365114239 UCMAGSDMYJJCRO-POICXBNUSA-N 447.432 5.216 30 10 IKEE CCCN[C@H](C#C[C@@H]1CC1(F)F)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2366730352 USHCNFQGCQQZHR-RHSMWYFYSA-N 443.332 5.495 30 10 IKEE O=C1CCCC2=C1[C@@H](c1c[nH]c3ccccc13)Nc1ccc(C(=O)c3ccccc3)cc1N2 15821833 RKJBXHXTLVMNQI-HHHXNRCGSA-N 433.511 5.985 30 10 IKEE O=[N+]([O-])c1ccc(/N=C/c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1 16667726 ARKNBPIURBWUES-YXCSQOMQSA-N 446.510 6.701 30 10 IKEE O=C1CCCC2=C1[C@@H](c1c(Cl)cccc1Cl)c1c(nn(-c3ccccc3)c1O)N2 17094733 BFOGVUUAYQKALA-LJQANCHMSA-N 426.303 5.449 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2C)cc1 21225707 OCYKAOZGWAFFFC-ONOMSOESSA-N 438.571 6.763 30 10 IKEE O=C1C[C@@H](c2ccc3ccccc3c2)C2=C(C[C@@H](c3ccc(Cl)c(Cl)c3)CC2=O)N1 21227285 ZVPPOLDBCVAWNC-MOPGFXCFSA-N 436.338 6.151 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OC(C)C)cc2)C3)cc1 21241903 CUCAYPHIBYVIMI-REWPJTCUSA-N 433.548 5.267 30 10 IKEE CCCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccc(C)cc1)C2 21256540 SOPDDOPYQDWSTE-KCWXNJEJSA-N 438.571 6.763 30 10 IKEE COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2OC)C3)ccc1O 21259606 OQEUMQVTJFAVEE-CRYYWNKWSA-N 442.515 5.389 30 10 IKEE CCOC(=O)c1c(NC(=O)c2ccccc2C)sc2c1CC[C@](C#N)(c1ccccc1)C2 23451821 OZCVHGHABQKEGM-SANMLTNESA-N 444.556 5.436 30 10 IKEE O=C(/C=C\c1ccc(OCc2ccccc2)cc1)c1ccc(OC(F)F)cc1OC(F)F 34863673 ICFWZBMJTGHPOY-JYRVWZFOSA-N 446.396 6.365 30 10 IKEE COc1ccc(CCn2c(O)c(/N=N/c3ccc4ccccc4c3)c(C)c(C#N)c2=O)cc1 39870934 MTDQQLKEAQKZRX-ZQHSETAFSA-N 438.487 5.554 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2sccc2C)C3=O)cc1OC 41289517 RHIVMDRLSIAQPN-NDENLUEZSA-N 436.485 5.218 30 10 IKEE O=C1/C(=N\Nc2ccc(Br)cc2)c2ccccc2N1Cc1ccccc1Cl 59153562 JLGZJLAQRQVDRJ-QQTULTPQSA-N 440.728 5.466 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)/C=C/c1ccc(OC)c(OC)c1 100065863 TZUVZBWSLCKEAD-XUTLUUPISA-N 431.661 7.315 30 10 IKEE Fc1ccc(-c2nc3cc(/N=C/c4cc5c(cc4Br)OCO5)ccc3o2)cc1 101294081 WHZFABWWYKYMFM-YSURURNPSA-N 439.240 5.876 30 10 IKEE CCCCCCCCCCCCCCCCn1c(-c2ccc(C)cc2C)nc2ccccc21 102162083 QLMOLJRISPKQPY-UHFFFAOYSA-N 446.723 9.801 30 10 IKEE CC/N=C1\S[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1C1CCCCCC1 103892030 YOGWQOHIDGWWFP-YZNZPZSRSA-N 442.412 5.365 30 10 IKEE Sc1nnc(Cc2cccs2)n1/N=C\c1ccc(OCCCc2ccccc2)cc1 169913952 OQMCFBSVYPLRFQ-ULJHMMPZSA-N 434.590 5.113 30 10 IKEE CCCN1C(=S)N[C@H](c2cc(Cl)c(OC(C)C)c(Cl)c2)C2=C1CCCC2=O 169929788 CFARUTKNUQGWHG-GOSISDBHSA-N 427.397 5.429 30 10 IKEE CCCOc1c(Cl)cc([C@@H]2NC(=S)N(CCC)C3=C2C(=O)CCC3)cc1OCC 169930003 KNJGEWZLJZBCHA-FQEVSTJZSA-N 437.005 5.176 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2cc(C)ccc2C)=C(O)C(=O)N1c1ccc(F)cc1 169940601 OKJMDEFCYIQECY-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccccc2OC)cc1 169942253 ILYPIKOJIUZUBM-DEOSSOPVSA-N 445.490 5.488 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccs2)c1 169981936 ZRBHBDFWTSYFCC-JOCHJYFZSA-N 449.528 5.247 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1cccs1)c1cccc(Cl)c1 169989471 ZAVNUWGEBZKHQG-HXUWFJFHSA-N 441.911 5.362 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@H]1c1cccnc1)c1cccc(Cl)c1 170004784 TWQIWNOLAMATHO-IBGZPJMESA-N 443.261 5.310 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccccc1 170051924 BGQROCZOLCGHCB-HSZRJFAPSA-N 443.886 6.178 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(OC)c(OC)c1 170126369 PUAKPJXOBFFFEI-DEOSSOPVSA-N 445.515 5.235 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccccc1OC(C)C 170151414 UTNYRMXSOXGMLE-QFIPXVFZSA-N 449.503 5.217 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccs2)cc1 170155838 VQNUSKOLJNHMQE-NRFANRHFSA-N 437.492 5.457 30 10 IKEE Cc1nc(-c2ccccc2)sc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccccn1 170182257 JRHSKDHSAQHTCV-FQEVSTJZSA-N 445.544 5.034 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccnc2)ccc1OC(C)C 170191265 OPAPRTQMEAIKRI-DEOSSOPVSA-N 442.515 5.269 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2ccccc2)c1 170229401 NAACWBYLVCDATK-HSZRJFAPSA-N 449.453 5.537 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccc(C(C)C)cc1 170246000 CRCMPQYXAQJXQM-IQGLISFBSA-N 447.575 5.902 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1F 170249067 NCGMBYBFWVSGBY-QFIPXVFZSA-N 431.463 5.234 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@H]1c1ccco1 170284905 ZBZTYNPBUZUWOQ-QFIPXVFZSA-N 431.488 5.305 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccco1 170288640 KDIAJHOHVWFZOK-NRFANRHFSA-N 433.847 5.771 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1cccc(Oc2ccccc2)c1 170455799 FLYPLTOEKSPTEZ-QHCPKHFHSA-N 445.490 6.133 30 10 IKEE C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N 170522178 XCAVUHMRZQSFKI-QGZVFWFLSA-N 442.902 6.545 30 10 IKEE CSc1nc(Nc2ccc(C)cc2Br)c(C#N)c(-c2cccc(Cl)c2)n1 243076943 IOKWMJMWBZBMOC-UHFFFAOYSA-N 445.773 6.205 30 10 IKEE COCCCN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=Nc1ccc2c(c1)CCC2 254704599 RYMBHTOVCQXSJZ-IYLIDVPDSA-N 426.969 5.469 30 10 IKEE Cc1ccc(S(=O)(=O)NN=C(Cc2ccccc2)c2ccc(-c3ccccc3)cc2)cc1 254704788 FZSZHDGXRAIPAP-UHFFFAOYSA-N 440.568 5.587 30 10 IKEE Cc1ccccc1NC(=O)c1c(N=Cc2ccc(F)cc2)sc2c1CC[C@@H](C(C)(C)C)C2 254742427 ZJIQKEVCHBYUGA-LJQANCHMSA-N 448.607 7.350 30 10 IKEE CCN1/C(=C\C=Nc2ccccc2)N(CC)c2cc(C(=O)OCCC(F)(F)F)ccc21 334157051 QFKDXSSZHQWLSX-WMJFYXQMSA-N 431.458 5.706 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(F)cc2)cc1 526515706 LELOWXNFSPVHBS-XMMPIXPASA-N 428.463 5.543 30 10 IKEE CCCOc1ccc([C@H]2C(c3ccc(OC)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526518219 YZWHAWQVKSKRNI-VWLOTQADSA-N 440.499 5.413 30 10 IKEE Cc1[nH]c2ccccc2c1/C=N\n1c(Cc2ccccc2)nnc1SCc1ccccc1 526800670 WAUICYDIZQBGLS-PKAZHMFMSA-N 437.572 5.833 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1c(C)n(C)c2ccccc12 526804915 AGKZQNFPPGJNCB-QQXSKIMKSA-N 431.609 5.904 30 10 IKEE Cc1ccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2cccc(Cl)c2)cc1 526812641 FWUGSWLJQULXMS-PKAZHMFMSA-N 447.007 6.200 30 10 IKEE CCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1cccc(OCC(C)C)c1 526823198 SSXIHAYHALNEER-YSMPRRRNSA-N 433.581 5.312 30 10 IKEE CCCCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1/N=C\c1ccc(F)cc1 526831116 HZPNZPQDZMBBRK-CFRMEGHHSA-N 444.532 5.093 30 10 IKEE N#Cc1ccc(CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(F)cc2)cc1 586204502 WQAKBCUCEXQAKA-UHFFFAOYSA-N 434.414 5.112 30 10 IKEE CC(C)(C)c1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2ccc(Cl)cn2)cc1 586250879 DIBYFNNRLPHKJM-UHFFFAOYSA-N 439.968 5.300 30 10 IKEE CCc1ccc(S(=O)(=O)N(C(=O)c2cccc(C#N)c2)c2ccc(C(C)C)cc2)cc1 586263303 ZACFWEZJHBZXKS-UHFFFAOYSA-N 432.545 5.280 30 10 IKEE CCOc1ccc(S(=O)(=O)N(C(=O)c2cccc(C#N)c2)c2ccc(C(C)C)cc2)cc1 586301148 VNIQXMYAKNKNHL-UHFFFAOYSA-N 448.544 5.116 30 10 IKEE C#CCCCCC[C@@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 686705276 ZENAJUGOWXJZAS-QPTUXGOLSA-N 430.633 5.437 30 10 IKEE CCCCCCCCCC[C@H](N)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 707822397 CPHZBGLJLHKLHK-NHTMILBNSA-N 434.665 6.343 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCC1 712372751 JHAFZBQOOHTQEX-DFIYOIEZSA-N 447.620 5.628 30 10 IKEE C=C1CCC(C[C@H](O)CC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)CC1 724594580 DOBZGCQSDVFYNF-DEOSSOPVSA-N 442.644 5.433 30 10 IKEE C=CCn1cc(C=Nc2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c2ccccc21 725413978 VQIKNJYYFQSOSU-UHFFFAOYSA-N 445.632 6.581 30 10 IKEE CC(C)(C)c1ccc(O)c(N/C(=N/Cc2ccccc2Cl)NCc2cccs2)c1 1088663325 OARHBZSJYNSUDH-UHFFFAOYSA-N 428.001 6.163 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=Nc1nc(-c2ccccc2)cs1 1772734741 FNHBXXXPRFEPDG-HHZJYHKJSA-N 447.541 5.329 30 10 IKEE CCCc1nc2sc(C)c(-c3ccc(Cl)c(C)c3)c2c(=O)n1Cc1cccc(C#N)c1 1857802727 IRWIRBHWFZWCQS-UHFFFAOYSA-N 447.991 6.268 30 10 IKEE Cc1ccc(NC(=S)N/N=C\c2cn(-c3ccc(F)cc3)nc2-c2cccs2)cc1C 1857808732 IBDKXKXHWXGBSX-MXAYSNPKSA-N 449.580 5.677 30 10 IKEE CCCCCCOc1ccc(NC(=O)C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1860728988 QPLHCUZLSDDRCE-NTUHNPAUSA-N 430.888 5.428 30 10 IKEE CCCCCCCCNC(=O)[C@H](CC(C)C)NC(=O)c1ccccc1Br 1861024704 BGXYIUHOHLNGDT-IBGZPJMESA-N 425.411 5.070 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCSC)NC(=O)/C=C/c1ccc(C)cc1 1861096766 RHDUFPYCXXNRDR-OFYULWLWSA-N 432.674 5.503 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1cccs1 1861324149 KVHWDHQJZZWGRD-OAQYLSRUSA-N 430.614 5.052 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)c1ccc2nc(C)[nH]c2c1 1861449770 NCGULSGTSSAABN-JOCHJYFZSA-N 428.621 5.417 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1cccc(F)c1 1862413748 KEBIEALWIZJYJQ-JOCHJYFZSA-N 445.481 6.043 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@H]2c2cccc(C)c2)c1 1862429816 VVEGHFDMHPOPNO-HSZRJFAPSA-N 431.919 5.735 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccccc2C(=O)O)cc1 1862532486 COKDDPUARWKXMB-POCHDABASA-N 447.531 5.104 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(C(F)(F)F)cc1 1862550877 MMKLILYUEUNVQR-HXUWFJFHSA-N 429.438 5.182 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2F)cc1 1862617035 UBPUWVPZSWBVTG-QHCPKHFHSA-N 435.539 6.034 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccccc1C 1862625990 RIIBKGDIGUXCTG-DEOSSOPVSA-N 449.547 5.663 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccccc2F)cc1F 1862639213 TUMSDWVTRZOHMX-WNSKOXEYSA-N 449.453 5.313 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cccc(F)c1)c1cccc2ccccc12 1862650066 MYKLEZYCNRANBO-DEOSSOPVSA-N 429.491 5.890 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCCCO)[C@H]1c1ccccc1Cl)c1cccc2ccccc12 1862651769 ALEMNSMJJWABIB-QHCPKHFHSA-N 449.934 5.234 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862660210 GVKGAVCFTNNIOY-UKILVPOCSA-N 447.575 5.691 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2cccc(F)c2)cc1 1862662572 IXBCGUCVHYLUNO-BSDZUQITSA-N 435.539 6.106 30 10 IKEE Cc1cc(C)cc(OCCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2)c1 1862674293 LQFGXQZXJWCEQE-XMMPIXPASA-N 445.490 5.100 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(F)cc2)=C(O)C(=O)N1CCCCc1ccccc1 1862674977 ZDCUVXZDUHALQZ-VWLOTQADSA-N 443.518 5.735 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(F)cc3Cl)C2=O)cc1 1862901202 BRCANDJIGAEGQE-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(Nc2ccccc2C#N)=C(c2cccc3ccccc23)C1=O 1863231182 XRIDRULNCSPTBA-IBGZPJMESA-N 443.506 5.665 30 10 IKEE C=CCN(CC=C)c1cc(N2C[C@@H](C)Cc3cc(OC)ccc32)nc(-c2ccccc2C)n1 1869148162 ISWXIAZGJUJJMZ-FQEVSTJZSA-N 440.591 5.969 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc3ccccc23)cn1CCC(C)C 1870488022 TXXHBUUXLLMOFC-UHFFFAOYSA-N 430.592 5.801 30 10 IKEE C=CCOc1cn(CCCCCCCCCC)c(CNc2ccc(Cl)cc2)cc1=O 1870812797 JFVMTPGZMLHHEW-UHFFFAOYSA-N 431.020 6.819 30 10 IKEE CCCCCCCOc1cn(CC(C)C)c(CNc2ccc(C(C)(C)C)cc2)cc1=O 1870831988 LSPYFEQVPSDEEF-UHFFFAOYSA-N 426.645 6.763 30 10 IKEE CCCCCCCOc1cn(CCN(CC)CC)c(CNc2ccccc2C)cc1=O 1870837525 KORISHQNYWNPRR-UHFFFAOYSA-N 427.633 5.460 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(O)cc2)c(CNc2ccc(C)c(C)c2)cc1=O 1870839277 FPZKSFOYDTWZGM-UHFFFAOYSA-N 448.607 6.180 30 10 IKEE C=CCn1cc(OCc2ccc(C(C)C)cc2)c(=O)cc1CNc1ccc(F)c(Cl)c1 1870896983 BIQZGMPCKRFBKR-UHFFFAOYSA-N 440.946 6.141 30 10 IKEE C=CCn1cc(OCCCOc2ccc(C)cc2)c(=O)cc1CNc1cc(C)cc(C)c1 1871216296 OCLBMDKOLDEEJC-UHFFFAOYSA-N 432.564 5.420 30 10 IKEE CC(C)=C1Oc2cc(OC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc(C)c2C1=O 1871378111 VNRVWRPFOXLIAM-UHFFFAOYSA-N 444.327 6.121 30 10 IKEE Cc1cc(OC(=O)c2ccc(OC(=O)C(C)C)cc2)cc2c1C(=O)/C(=C/c1cccs1)O2 1871391270 WEEVJAHMLPDZRK-BKUYFWCQSA-N 448.496 5.453 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OCCCCOc3ccc(C)cc3)cc(C)c2C1=O 1871404307 HGXOKNIHKWVFLT-ONUIUJJFSA-N 444.527 6.166 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCCCOc3ccc(C)cc3)ccc2C1=O 1871407082 WFECJOISQUGHCP-ONUIUJJFSA-N 430.500 5.858 30 10 IKEE COc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1C)C2=O 1871412253 PTZUUGLPIBRXQD-PDESAOGPSA-N 429.472 5.026 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2)cc2c1C(=O)/C(=C/c1cccs1)O2 1871414817 PDVDUJYLNWHTNS-GQFJFNLSSA-N 439.920 5.732 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OCCOc3ccc(C(C)(C)C)cc3)cc(C)c2C1=O 1871415803 UAIORCCJVBSINF-KQWNVCNZSA-N 448.584 6.736 30 10 IKEE CCc1ccc(NC(=O)[C@@H](CC)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871426502 QKWRUQXNXKUIRT-UTKDAVAPSA-N 445.515 5.871 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)c(C)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1871912414 VMXCZNHHDPBXIX-SBUREZEXSA-N 446.588 5.063 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)cc1C)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872519807 KZXKQWGTBKLQRD-DEOSSOPVSA-N 442.625 5.150 30 10 IKEE Cc1cccc(C)c1OCCCC(=O)[C@@H](C#N)c1nc(-c2ccc3ccccc3c2)cs1 1872759993 FAARFJIIRBOTND-HSZRJFAPSA-N 440.568 6.616 30 10 IKEE Cc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1C 1872765255 KXQQQPHLEWGQGX-GOSISDBHSA-N 425.351 5.608 30 10 IKEE CCCCCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(F)cc3F)cs2)cc1 1872766169 CZTXMMAGSJRHSN-HXUWFJFHSA-N 440.515 6.537 30 10 IKEE N#C[C@@H](C(=O)Cc1ccc(Br)cc1)c1nc(-c2ccc(F)cc2F)cs1 1872766867 LGSKMTIMSDLSHU-HNNXBMFYSA-N 433.277 5.270 30 10 IKEE C=CCN1C(=O)C(Nc2cccc(OCC(C)C)c2)=C(c2c(Cl)cccc2Cl)C1=O 1873289359 JQJUQQUMPHESCS-UHFFFAOYSA-N 445.346 5.406 30 10 IKEE COC(=O)c1nc(-c2ccc(C)cc2)oc1N/N=C/c1ccccc1OCc1ccccc1 1873461858 BCFBBRPPWTZGDW-JVWAILMASA-N 441.487 5.462 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)cc2)cc2c(NCCCCc3ccccc3)ncnc21 1873619731 UUAIQCCHUUOWRF-UHFFFAOYSA-N 439.563 5.613 30 10 IKEE CCCCCCCCNC(=O)C[C@H](CN1Cc2ccccc2C1=O)c1ccc(Cl)cc1 1873885967 BIVATRJUVIPBDJ-JOCHJYFZSA-N 441.015 5.946 30 10 IKEE CCCCCCCCNC(=O)C[C@@H](CNC(=O)c1ccccc1)c1ccc(Cl)cc1 1873886515 ZBMJKCNICDIXPD-QFIPXVFZSA-N 429.004 5.720 30 10 IKEE CCCSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1ccc(F)cc1F 1874226400 IRTSIWPAGAOPTF-CVKSISIWSA-N 444.551 5.569 30 10 IKEE CCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1c(Cl)cccc1Cl 1874263032 DOEDEMSYKRFLOI-LSHDLFTRSA-N 441.771 5.812 30 10 IKEE COc1ccc(Cc2nnc(SCc3cc(C)ccc3C)n2/N=C/c2cccn2C)cc1 1874349379 JBOLFYAEVGJIBA-WGOQTCKBSA-N 445.592 5.007 30 10 IKEE COc1cccc(/C=N/n2c(COCc3ccccc3)nnc2SCc2ccccc2)c1 1874355295 HZRMUALICLTKQT-WGOQTCKBSA-N 444.560 5.178 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3C)n2/N=C/c2ccc(O)cc2)c1 1874361529 OIUSXQOOHPGMRA-WPWMEQJKSA-N 442.588 5.560 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2C)n1/N=C/c1ccccc1OC(C)C 1874362558 KWRLYEOWEWJASE-WGOQTCKBSA-N 434.609 5.709 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3C)n2/N=C/c2ccco2)c1 1874362673 QKAVVGQFLCHQCS-WGOQTCKBSA-N 430.577 5.756 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CCc3cccs3)nnc2SCCC)cc1 1874372287 QYMVRSCRXHXZID-HAVVHWLPSA-N 428.627 5.688 30 10 IKEE Fc1cccc(CSc2nnc(CCc3ccccc3)n2/N=C/c2ccccc2F)c1 1874402019 FBBLYWWJLMTTAM-JVWAILMASA-N 434.515 5.516 30 10 IKEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(C)cc3)nnc2-c2cccs2)cc1 1874421823 GJKIDCGQPIOXGW-ZVHZXABRSA-N 447.589 5.236 30 10 IKEE Fc1ccccc1CSc1nnc(-c2cccs2)n1/N=C/c1ccccc1Cl 1874422693 ZLZUODFDHALMFC-FSJBWODESA-N 428.945 5.974 30 10 IKEE C=CCSc1nnc(CC(C)(C)C)n1/N=C/c1ccc(OCCCCC)c(OC)c1 1874439916 ZQNVEAHZGNEKAN-JJIBRWJFSA-N 430.618 5.605 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2ccc(C(C)C)cc2)c1 1874446414 YSCSIHOTOZLCRD-XQQQEEOESA-N 434.609 6.044 30 10 IKEE Fc1cccc(CSc2nnc(C3CCCC3)n2/N=C/c2ccc(C(F)(F)F)cc2)c1 1874454869 ZAJYZTCPMVIOAN-UVHMKAGCSA-N 448.489 6.268 30 10 IKEE Fc1ccccc1CSc1nnc(-c2ccco2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874466780 AQLJWURAMRKUJC-BHGWPJFGSA-N 447.322 6.159 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccco3)n2/N=C/c2cccs2)c(Cl)c1 1874468558 NAEMSVWKXWOBFB-UFFVCSGVSA-N 435.361 6.081 30 10 IKEE Cc1ccccc1CSc1nnc(C(C)C)n1/N=C/c1cccc(Br)c1 1874509951 DEFAXUFQCPIGCM-WSDLNYQXSA-N 429.387 5.647 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1cc(C)ccc1O 1874511206 OWXSSWQUFSAFGG-FOKLQQMPSA-N 435.380 5.726 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C)n2/N=C/c2c(Cl)cccc2Cl)cc1C 1874528328 CIMBECBYKQHFMJ-AUEPDCJTSA-N 448.379 5.123 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCc2ccc(F)cc2)cc1C 1874573957 NRLPENAOCLAHRL-UXBLZVDNSA-N 440.898 6.280 30 10 IKEE Cc1ccccc1COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(Cl)c(Cl)c1 1874579395 LIKZGENMIGLVKI-JXMROGBWSA-N 431.746 7.430 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OCc1c(Cl)cccc1Cl 1874594639 VATCUPXLVRXZNQ-ZRDIBKRKSA-N 443.326 6.486 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OCc1cccc(C)c1 1874601588 RZGFDZUFRKZELT-LDADJPATSA-N 448.562 7.536 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3)c(Br)c2)cc1C 1874606908 MMJSWDCXZMUTBT-DHZHZOJOSA-N 437.333 6.241 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccc(OCCO)c(Br)c1 1874628505 HHRQKXKWFMLNCR-DUXPYHPUSA-N 446.124 5.032 30 10 IKEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3cc(C)c(Cl)cc3OC)cc2)o1 1874634799 UQMQCULLNKNBCJ-UXBLZVDNSA-N 440.879 5.512 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC(=O)C(C)C)c(OC)cc2Br)cc1C 1874696150 KYKFXUCVZHICLX-SOFGYWHQSA-N 447.325 5.232 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1OC(=O)c1ccncc1 1874702228 LNSPHIGNJBHASW-QHHAFSJGSA-N 428.271 5.512 30 10 IKEE CCc1ccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c(F)c3)c2)cc1 1874706952 HYOXFEVMVYKSHZ-SDNWHVSQSA-N 432.491 5.831 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OC(=O)Cc1ccc(C)c(C)c1 1874707861 AGKCROZPUWZMLC-RIYZIHGNSA-N 442.555 6.480 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccccc3C)c2)cc1C 1874718396 XIGJFSFLYZAZKH-ZRDIBKRKSA-N 430.500 5.744 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)cc2F)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 1875116906 YVXRKGFDQUDPPE-XLUWADSXSA-N 443.789 5.642 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2OC)cc1 1875127675 RUGJGVYUWMHPRN-OVCLIPMQSA-N 448.946 6.345 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccc(C)cc1 1875150304 GNRCBHCVRNXFEF-LZYBPNLTSA-N 428.528 6.416 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)C3CCCC3)c(Br)c2)cc1F 1875152430 CXKWKENUWMPRKG-RMKNXTFCSA-N 447.300 5.589 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc3ccccc23)cc([N+](=O)[O-])c1OC(=O)C1CCC1 1875154771 VMDLLYAMOYPANT-BUHFOSPRSA-N 445.471 5.748 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2Cl)cc1 1875155502 GIIJKCHNCQBISR-RIYZIHGNSA-N 432.947 6.816 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OC(=O)CC(C)(C)C 1875160150 COVQINGFZNPOQY-FMIVXFBMSA-N 438.564 6.239 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 1875184936 YBJWUJBAXZMWTD-PKNBQFBNSA-N 445.471 5.644 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)ccc1OC(=O)c1ccc(C)cc1 1875194297 PEZQSWOSXGDEGT-IZZDOVSWSA-N 436.891 5.781 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCC23CN(C(=O)OC(C)(C)C)C3)c1 1918324776 ZHEHHHCDTCAUOX-VWLOTQADSA-N 441.572 5.420 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1csc(CNC(=O)OC(C)(C)C)c1 1922126312 SPKLLMRQOIRMIF-JOCHJYFZSA-N 430.614 5.587 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)CC12CCC2 1949849467 ATIQWNRMACOIIA-XMMPIXPASA-N 427.545 5.254 30 10 IKEE CC1(C)CC[C@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)[C@H](OCc2ccccc2)C1 1998841966 ZYVPZLWFQZTPTM-AUSIDOKSSA-N 427.549 5.592 30 10 IKEE CC#CCCCC[C@@H](NC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2019498676 SFXXBQXZZXHSTN-ZEQKJWHPSA-N 428.617 5.002 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCC[C@@H]1CNC(=O)OC(C)(C)C 2032217805 SWAPUHJXBWIJKU-CLOONOSVSA-N 443.588 5.714 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1C[C@H]2CC[C@H]1CN(C(=O)OC(C)(C)C)C2 2053004876 WECCNIGSQRRFOR-RCTAOEEJSA-N 442.644 5.411 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2073117753 FZGLHDWZPMCVHG-UYAOXDASSA-N 443.588 5.664 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C12CCC2 2076647871 ORWNWOWSSODUJK-QFIPXVFZSA-N 448.568 5.140 30 10 IKEE CC(C)[C@@H](c1ccc(C2CCC2)cc1)n1nc(C(F)F)c(C=NO)c1Br 2080004592 CQTIMCVDENQLCB-KRWDZBQOSA-N 426.305 5.904 30 10 IKEE N#Cc1c(-c2ccccc2)nn(Cc2ccc(C(F)(F)F)c(Cl)c2)c1Br 2080358759 BMKYANWBTNZMAV-UHFFFAOYSA-N 440.650 5.905 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(Cc2ccccc2)CC12CCC2 2098712157 MOPCTGVGKTTWJK-MUUNZHRXSA-N 445.607 6.075 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(CNc3cc(Br)c(C#N)cc3F)CCC[C@H]12 2162404070 XTLSEQBSCSHJMF-PXNSSMCTSA-N 438.341 5.051 30 10 IKEE CC1(C)CCC[C@H]([C@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)C1 2168592809 RCCIDWDKNFHFBU-AOMKIAJQSA-N 435.406 6.689 30 10 IKEE CC1(C)CCC(CNc2cc(Br)ccc2C#N)(NC(=O)OC(C)(C)C)CC1 2201480798 UXUFQBPBZCNVJW-UHFFFAOYSA-N 436.394 5.596 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@H](O)C#Cc2ccc(Cl)cc2)cc1Br 2231012843 ZYQWQWYNPTWDKR-GOSISDBHSA-N 436.733 5.535 30 10 IKEE COc1ccc(F)c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)c1 2235968390 RBKHKBHKLCJNEB-GOSISDBHSA-N 435.293 5.603 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCC[C@@H](C(C)(C)C)C1 2238177522 GNGOYKOLHMJOBB-ZHRRBRCNSA-N 435.406 6.689 30 10 IKEE CCc1ccc(Nc2c(Br)cccc2C#N)cc1I 2269686524 AOIJPEIPJWOOOT-UHFFFAOYSA-N 427.083 5.231 30 10 IKEE CN(CCN(CC[C@H]1CCCC[C@@]1(C#N)NC1CC1)Cc1ccccc1)Cc1ccccc1 2273194024 JPMBHYYASPIHLU-PXJZQJOASA-N 444.667 5.215 30 10 IKEE C=CCN(CC[C@@H](NCC)c1cc(Br)cc(C(C)C)c1)C(=O)OC(C)(C)C 2280717539 IIYXWONONDKAPH-HXUWFJFHSA-N 439.438 6.036 30 10 IKEE Cc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1ccc(Br)cc1 2318575130 ZPISLRYFMIISQV-UHFFFAOYSA-N 443.414 5.821 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OCc4cc(Cl)cc5c4OCOC5)c3C)C2=O)c1 2321880582 NFCGAZUCXFBXKJ-UHFFFAOYSA-N 448.902 6.019 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(C(C)(C)C)cc1)C3=O)CN(C1CCCCC1)CO2 2322328590 BYUUZEVALPJALR-UHFFFAOYSA-N 431.576 6.393 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)N(CC)CC)cc1 2322401905 QNCCLESUYUBWIE-UHFFFAOYSA-N 427.972 5.826 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2ccc(F)cc2)cc1 2322565384 OLCSFODOIAMAMQ-UHFFFAOYSA-N 449.478 5.147 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Br)ccc2OCc2cc(C)ccc2C)cc1 2322586213 IHFMUJRCFJDUMO-UHFFFAOYSA-N 435.361 6.849 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OC(=O)C4CCCCC4)cc(C)c3C2=O)cc1 2322748020 CGWCZGXIYXLKNR-UHFFFAOYSA-N 433.548 5.943 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 2322781865 KIOZHRUTMUMAJR-UHFFFAOYSA-N 429.806 6.002 30 10 IKEE Cc1c(OC(=O)c2cccc(Cl)c2)ccc2c1OC(=Cc1ccc(Cl)cc1)C2=O 2322914368 PMAGHRWXBBJYHM-UHFFFAOYSA-N 425.267 6.137 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2ccccc2OCc2cccc(C)c2)cc1Cl 2322969147 BILVFLYYGHHYBR-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC)c(OC)c2Br)c1 2323260799 GIXLBSOGJYWLGQ-UHFFFAOYSA-N 435.314 5.160 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OCC(=O)OCC(C)C 2323404269 PWNLRYRNSNTNHT-UHFFFAOYSA-N 432.516 5.713 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)Cc3ccc(Cl)c(Cl)c3)ccc2C1=O 2323417054 DHGIFCVUVZETIN-UHFFFAOYSA-N 439.294 6.066 30 10 IKEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C[C@@H]1CC(C)C 2323473006 BKNXJHDEZYQMOZ-BKMJKUGQSA-N 444.616 5.191 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(OC)c1OCC(=O)N(CC)CC 2323800848 XBGXAHCYMVAIKR-UHFFFAOYSA-N 441.955 5.220 30 10 IKEE Cc1cc(O)c(CN2C[C@H](C)O[C@H](C)C2)c2c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O2 2324018040 WNARYTFGPLYYBP-OKILXGFUSA-N 448.346 5.233 30 10 IKEE Cc1c(OCCCc2ccccc2)ccc2c1OC(=Cc1ccc(Cl)cc1Cl)C2=O 2324280816 BZLQXBVILZBFBK-UHFFFAOYSA-N 439.338 6.930 30 10 IKEE Cc1c(OCCc2ccccc2)ccc2c1OC(=Cc1cccc(Br)c1)C2=O 2324282920 FZXDTBGLFJGSQY-UHFFFAOYSA-N 435.317 5.995 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(Br)c1OCCCO 2324353694 HOZCXOQKJQTUOR-UHFFFAOYSA-N 447.369 5.349 30 10 IKEE COc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1C)OC(=Cc1ccccc1C)C2=O 2324474140 USNLIBBLMTWLBS-SFHVURJKSA-N 443.499 5.334 30 10 IKEE COc1ccc(OCCCOc2ccc3c(c2C)OC(=Cc2cccc(C)c2)C3=O)cc1 2324705990 QPBDSTLPKZIDSL-UHFFFAOYSA-N 430.500 5.776 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@@H](C#N)C(=O)C=Cc3cccc([N+](=O)[O-])c3)n2)c1C 2324718982 CMTXCJLAYFUOKJ-FQEVSTJZSA-N 431.517 5.842 30 10 IKEE CCOc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 2324837675 SSNQEAPLNCLCLO-SFHVURJKSA-N 443.355 6.405 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2cccc([N+](=O)[O-])c2)c1)c1ccc2c(c1)CCCC2 2325702089 QQZFHMBGXXRTLS-UHFFFAOYSA-N 427.456 5.589 30 10 IKEE O=C(CC12CC3CC(CC(C3)C1)C2)Oc1cccc(C=CC(=O)c2ccc(Cl)cc2)c1 2325730777 WDHGQBFYPYONIF-UHFFFAOYSA-N 434.963 6.748 30 10 IKEE Cc1ccc2oc(=O)cc(COc3ccc4c(c3C)OC(=Cc3cccc(F)c3)C4=O)c2c1 2325741620 IUTBKWWLKKBTDJ-UHFFFAOYSA-N 442.442 5.744 30 10 IKEE CCCSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1ccccc1O 2325913722 IFMIOEZBVBVCAQ-UHFFFAOYSA-N 437.352 5.254 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cc(OC)ccc1OC 2326360247 IPWAZVCAYZRTER-UHFFFAOYSA-N 430.961 5.076 30 10 IKEE Clc1ccccc1CCc1nnc(SCCc2ccccc2)n1N=Cc1ccco1 2327970033 FMMCESUVVPXOLY-UHFFFAOYSA-N 436.968 5.527 30 10 IKEE CCCSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc(O)c(OCC)c1 2327978504 WVOZIMNQHCRGOX-UHFFFAOYSA-N 444.988 5.205 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(F)c3)n2N=Cc2ccccn2)cc1C 2329405574 MONXCNCOBZUPFZ-UHFFFAOYSA-N 431.540 5.194 30 10 IKEE CCSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2329413925 ZQAGOEBDJANVDC-UHFFFAOYSA-N 429.933 5.042 30 10 IKEE Oc1cccc(C=Nn2c(SCc3cccc(F)c3)nnc2-c2ccccc2Cl)c1 2329553082 RUIWGOWGCSZCPW-UHFFFAOYSA-N 438.915 5.618 30 10 IKEE COc1cccc(C=Nn2c(SCc3cccc(C)c3)nnc2[C@H](C)c2ccccc2)c1 2330073643 XQFFWLIFGWCVDS-HXUWFJFHSA-N 442.588 5.921 30 10 IKEE C=CCSc1nnc(CC2CCCCC2)n1N=Cc1ccc(OC(C)C)c(OC)c1 2330277714 HVRFBRCDZMSPQO-UHFFFAOYSA-N 428.602 5.357 30 10 IKEE C=CCSc1nnc(Cc2ccccc2)n1N=Cc1cccc(OCc2ccccc2)c1 2330498260 XVKCVHKPFGLKQO-UHFFFAOYSA-N 440.572 5.608 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(CC(C)(C)C)n2N=Cc2ccccc2C)cc1C 2330807507 SAZUNKJIIPSMCC-UHFFFAOYSA-N 449.624 5.405 30 10 IKEE CN(C)c1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccccc2F)cc1 2330845662 HKKZSLKLCOLOOM-UHFFFAOYSA-N 425.577 5.246 30 10 IKEE CC(C)COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cccc(Cl)c3)cc2)cc1 2331116068 FVMGMZVIZKPHBD-UHFFFAOYSA-N 434.919 6.490 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)c(Cl)c2)c(C)c1 2331222458 AIHRHHHSRXVRRB-UHFFFAOYSA-N 446.974 7.370 30 10 IKEE CCc1ccc(C=Nn2c(SCC(=O)Nc3cccc(C)c3C)nnc2C(C)(C)C)cc1 2331364459 FJVKWPYVFRKGGD-UHFFFAOYSA-N 449.624 5.368 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3cccnc3)c(OC)c2)cc1F 2331450511 RRCIWNPGXKMANJ-UHFFFAOYSA-N 441.842 5.007 30 10 IKEE O=C(COc1ccc(Cl)cc1Cl)Oc1ccc(C=CC(=O)c2ccc(F)cc2)cc1 2331512709 JPWDFIZZQOPSSA-UHFFFAOYSA-N 445.273 6.013 30 10 IKEE Oc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CCC2)cc1O 2331535402 XKYSZGSEIWMAKC-UHFFFAOYSA-N 430.533 5.285 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccc(OC(C)=O)c(Br)c1 2331636748 VFJYRVHMPAKJCR-UHFFFAOYSA-N 444.108 5.586 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)C3CCCC3)c(OC)c2)c1 2331685189 SDZMUDZVXZWPBK-UHFFFAOYSA-N 438.520 5.484 30 10 IKEE C=CC[C@H](Oc1nc2ccc(Br)cc2s1)[C@H]1CCN1C(=O)OC(C)(C)C 2335884143 PEJLAKCOIFHJFL-CABCVRRESA-N 439.375 5.392 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Br)cc(OC2CC2)c1 2362709905 RMWHEGQLAUTVLD-OALUTQOASA-N 439.394 5.110 30 10 IKEE COc1ccc(/N=C/c2c(O)c(OC)cc(Br)c2Br)cc1Cl 3113616 UPDOHHFVZSRQTR-FBCYGCLPSA-N 449.526 5.338 30 10 IKEE CCOc1ccc(/C=N/c2cccc(C3=NN(c4ccccc4)[C@H](c4ccccc4)C3)c2)cc1 15773893 GMFZNILUKBVXDZ-CKNUFSEASA-N 445.566 7.192 30 10 IKEE Cc1ccccc1CSc1nnc(NN=C(Cc2ccccc2)Cc2ccccc2)[nH]1 20908549 GZGHEYYRBAMAGG-UHFFFAOYSA-N 427.577 5.659 30 10 IKEE CC(C)COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 21246046 XJIPSLWYJLPTAX-UZTOHYMASA-N 444.600 6.762 30 10 IKEE O=C(/C=C/c1ccc(-c2cccc(Cl)c2)o1)c1cccc(NC(=O)c2ccccc2)c1 28357060 CDZPMLZDJLLDPY-WYMLVPIESA-N 427.887 6.748 30 10 IKEE COc1cccc(N/C(=N\C(=O)c2ccc(Cl)cc2)NCCc2c[nH]c3ccccc23)c1 32943271 WEMLMSLZFBRODE-UHFFFAOYSA-N 446.938 5.271 30 10 IKEE CC/N=C1\S/C(=C\c2cn(Cc3cccc4ccccc34)c3ccccc23)C(=O)N1CC 35352933 BXLOKLOYZVQNIJ-SIFZUIMESA-N 439.584 6.155 30 10 IKEE C=CCOc1cccc([C@H]2c3c(oc4ccc(CC)cc4c3=O)C(=O)N2c2nccs2)c1 38730601 BPESUSLOKGJAAU-NRFANRHFSA-N 444.512 5.127 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3cc(OCc4ccc(Cl)c(Cl)c4)ccc3C2=O)cc1 39754125 UAASJDOMKIVOJM-MSXFZWOLSA-N 439.338 7.312 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OC(=O)Cc4cccs4)cc(C)c3C2=O)c2ccccc21 41354672 NWCPUACRBBTPIX-FMCGGJTJSA-N 443.524 5.795 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc3c2CN(Cc2ccc(F)cc2)CO3)C1=O 41656200 CPNVENMMGKVNLP-CFRMEGHHSA-N 431.463 5.193 30 10 IKEE C=CCn1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c2ccccc21 59245859 WUUWTOOBNAHWGO-OGLMXYFKSA-N 439.584 6.771 30 10 IKEE Cc1nc(COc2ccc(/C=C3\CCc4nc(-c5ccccc5)sc4C3=O)cc2)no1 60374678 NYFXRRLBLKXNGH-QGOAFFKASA-N 429.501 5.293 30 10 IKEE C#CCOc1cccc([C@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccc(Cl)cc2)c1 64795822 STNSJXAAWSJBBJ-QGZVFWFLSA-N 437.904 5.253 30 10 IKEE CCCCCCCOc1ccc(C(NC(=O)CC(C)C)NC(=O)CC(C)C)cc1OC 100917120 NYIYQNDJARRFOO-UHFFFAOYSA-N 434.621 5.368 30 10 IKEE Cc1cccc(NC(=O)/N=C2\C(=S)N(c3ccccc3)C(=O)N2c2cccc(C)c2)c1 109359406 YPPPMHIBSQUBAE-YYADALCUSA-N 428.517 5.708 30 10 IKEE C=C1C[C@]2(CO)CC[C@@H]3[C@H](CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@H](O)CC[C@]43C)[C@H]2[C@@H](C)[C@@H]1C 141373536 SEMDMGSTKZEUNY-OGBRLUQNSA-N 442.728 6.853 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/NS(=O)(=O)c2cccs2)c(Cl)c1 169907347 KLDNBKYPPIBDFN-CJLVFECKSA-N 443.034 5.843 30 10 IKEE COc1ccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccc(C)c(C)c2)cc1 169924385 YDCWUEPVOJKNNI-SANMLTNESA-N 441.527 5.414 30 10 IKEE CCCCCOc1ccc([C@H]2NC(=S)N(CCC)C(C)=C2C(=O)c2ccccc2)cc1 169928740 VSWQYDTZRFXOLC-XMMPIXPASA-N 436.621 6.054 30 10 IKEE CC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccccc1OCc1ccc(Cl)cc1Cl 169936903 PZNXKTUTSLQMPX-HXUWFJFHSA-N 435.376 5.296 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2sccc2C)c1 170107015 HGNVVERXPNKMKG-LJQANCHMSA-N 439.920 5.501 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2cccs2)c1 170153865 MXNUNTZLONXGCF-IBGZPJMESA-N 425.893 5.193 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccncc2)ccc1Cl 170200255 YHWFJNDMBLGGLW-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(Cl)cc1)c1cccc2ccccc12 170235198 SETPHNICRRAQSN-DEOSSOPVSA-N 439.898 6.276 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2F)cc1 170251657 FDCSCNXQZFPIII-HSZRJFAPSA-N 437.511 5.524 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2Cc2cccs2)o1 170298064 IBCLRJPPWPDBSS-QFIPXVFZSA-N 429.497 5.581 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2sccc2C)c1 170314245 KJIQUHDQEKCBSG-OAQYLSRUSA-N 429.497 5.894 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2sccc2C)cc1C 170315578 ANYGWTUBNUGBKY-NRFANRHFSA-N 433.529 5.465 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 170345913 GGWXIACAJVCHOM-DEOSSOPVSA-N 441.527 5.776 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(Cl)cc(Cl)c2)[C@@H]1c1ccccc1F)c1ccccc1 170381727 GWICFHUNQUVJID-HXUWFJFHSA-N 442.273 5.915 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)c1 170466503 PRUSNTQUYOTZMM-RUZDIDTESA-N 449.591 6.288 30 10 IKEE CCCCCCCCCCCCCCCCCCN(C)C(=S)NC(=O)c1ccccc1 207512110 CURSGLJNCQGYFN-UHFFFAOYSA-N 446.745 7.895 30 10 IKEE N#CCc1ccc(NC(=O)c2c[nH]c3cc(Br)c(Br)cc23)cc1 247779195 ZYCDVPHPIZVHQE-UHFFFAOYSA-N 433.103 5.011 30 10 IKEE CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2CC)S/C1=N/[C@H](C)c1ccccc1 254293873 WHBAUJFADSQSAI-OYRUPQCFSA-N 439.606 5.509 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(F)cc(Br)c1)NCCC 407501415 LFPGTMYHYFTQQI-MOPGFXCFSA-N 443.401 5.358 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2c[nH]c3ccccc23)c1 526487055 UDCLXMWOCDKCHX-SANMLTNESA-N 449.510 5.886 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccc(F)c2)c1 526488898 RSERZFSRNMHJHS-RUZDIDTESA-N 442.490 5.933 30 10 IKEE COc1ccc(OC)c([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2C#N)c1 526606973 QYTWXTTTYNLTPH-HSZRJFAPSA-N 446.890 5.286 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2cccc3ccccc23)[C@H]1c1ccc(O)c(O)c1 526610430 NDTDRTYDYQVOSP-RUZDIDTESA-N 434.451 5.180 30 10 IKEE CCOc1ccc2ccccc2c1/C=N\n1c(CC)nnc1SCc1ccc(F)cc1 526801384 NVEWWGJTYUEEBF-YSMPRRRNSA-N 434.540 5.706 30 10 IKEE COc1cccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2cc(C)ccc2C)c1 526820277 YVMAPHMPLBGLNU-PKAZHMFMSA-N 442.588 5.669 30 10 IKEE N#Cc1cccc(C(=O)N(Cc2cccnc2)c2nc3c(C(F)(F)F)cccc3s2)c1 585166716 FFLHSYVTZUBZLU-UHFFFAOYSA-N 438.434 5.429 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)c1 586003143 ZFLZZAGNGXPPMP-QFIPXVFZSA-N 439.987 5.212 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)C1CCCCC1)C2 709341622 VAUVLZAPJJFISE-WVMBUTMQSA-N 433.593 5.238 30 10 IKEE C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)c(C)c(C)c2C)[n+]2cc(O)ccc2C)c1 726573123 ZZCVHSKUXWULNO-UHFFFAOYSA-O 443.592 5.526 30 10 IKEE COC[C@]1(OC)CC[C@@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(C=NO)cc3)C[C@@]21C 888087320 GJMNAFGEUJBOCE-SWDWZACWSA-N 449.591 5.426 30 10 IKEE COc1cc(C=NNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(F)cc1 1084627632 VXMMEYQDBYYLHN-UHFFFAOYSA-N 429.835 5.421 30 10 IKEE C/C=C1/C(=O)[C@H]2[C@@H](CC[C@]3(C)[C@H]([C@H](C)CCC(=O)OC)CC[C@H]23)[C@@]2(C)CC[C@H](O)C[C@H]12 1307249651 SXDZXAFUWCERDJ-XGCCXBCZSA-N 430.629 5.331 30 10 IKEE C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@@]2(C)[C@@H]1CCc1ccoc1CN1CCC(C)CC1 1565535187 ZGHHYFNDDMTZKI-VXGLHPTQSA-N 441.656 6.396 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccccc2OCc2ccc(C)cc2)SC1=Nc1ccccn1 1772731402 MCEKNNLWAKZNKN-ULHXHRCFSA-N 441.556 5.759 30 10 IKEE CN1C(=O)/C(=C/c2cccc3ccccc23)SC1=Nc1nc(-c2ccccc2)cs1 1772735877 HLVUPOVAQIFUPS-UDYULTBOSA-N 427.554 6.197 30 10 IKEE O=C1/C(=C/c2ccc3c(c2)OCO3)SC(=Nc2ccncc2Cl)N1c1ccccc1 1772738193 SMWIYOMEQYBEHA-GCXSFWCZSA-N 435.892 5.272 30 10 IKEE COc1cc(/C=C2/SC(=Nc3nc(C)cs3)N(C3CCCCC3)C2=O)ccc1O 1772740227 WTGDPSODMPBWOT-ZCXLDBAHSA-N 429.567 5.102 30 10 IKEE C[C@H](NC(=O)Oc1cccc2c(NC(=O)c3cccc(C#N)c3)cccc12)c1ccccc1 1858944657 LDJMQVFGRNVYTN-SFHVURJKSA-N 435.483 5.813 30 10 IKEE C=CCN(CC=C)C(=O)Oc1cccc2c(NC(=O)COc3ccc(C)cc3)cccc12 1858947179 APGDGQCBFYXNFP-UHFFFAOYSA-N 430.504 5.339 30 10 IKEE C=C(C)Cc1c(C)nn(CCC(=O)Nc2ccc3nc(CCc4ccccc4)[nH]c3c2)c1C 1860304531 PVWUAAWHQPVDDZ-UHFFFAOYSA-N 441.579 5.309 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(Cl)c2)cc1 1862391599 DSZVVOVYPWKDGK-QHCPKHFHSA-N 449.934 6.054 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccccc2)cc1C 1862400825 NUYPNRKXZITYJH-XMMPIXPASA-N 433.548 5.695 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1cccc(F)c1)c1ccc(F)cc1F 1862414216 VAGQJSWZMNPZFL-NRFANRHFSA-N 441.380 5.022 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(C)cc1 1862429067 FKWOLRWAFURNBF-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCOc2ccccc2)c1 1862429225 ISTUUHFPFJSPCC-QHCPKHFHSA-N 447.918 5.306 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@H]1c1ccccc1)c1cccc(Cl)c1 1862441145 ACQRDJLDTMIGIJ-QHCPKHFHSA-N 431.919 5.551 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccco2)c1 1862493930 ASBPEJSAYUTPEE-DEOSSOPVSA-N 445.515 5.464 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCc3ccccc3)[C@@H]2c2ccccc2)cc1 1862532658 IPSWGMRUNNCKBN-AREMUKBSSA-N 439.555 5.850 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCCc3ccccc3)[C@H]2c2ccccc2F)c1 1862556272 SDPAQRGIXIQFSH-DEOSSOPVSA-N 444.506 5.009 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccccc1 1862614403 CGFFPGFGLVLMPR-UQBPGWFLSA-N 439.555 6.324 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(F)cc1F 1862617267 WMISYQRJQZUITG-QFIPXVFZSA-N 441.518 6.031 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(Cl)cc1 1862660580 KGTZDGKNFJRFBS-JOCHJYFZSA-N 441.955 5.468 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C(C)C)cc3)[C@@H]2c2ccc(F)cc2)cc1 1862663299 RBYAWVFUTCDPAI-VWLOTQADSA-N 443.518 6.036 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccc(OCCC)c1 1862668504 AJDMBJNCMNHLBG-RUZDIDTESA-N 449.591 6.367 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc(O)c1 1862674380 MUTYMIUQYDPBMK-SIKLNZKXSA-N 425.500 5.469 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccc2ccccc2c1 1862716263 CHRIIBLHGDBWKV-OAQYLSRUSA-N 438.310 5.887 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C2CC2)cc1 1862720274 UUYBZYORMOAEPZ-DEOSSOPVSA-N 425.528 5.878 30 10 IKEE Cc1cc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1F 1863091138 JKJCJCVRDOLNSA-UHFFFAOYSA-N 445.881 5.364 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(Cl)c2)=C(c2ccc(F)cc2)C1=O 1863140447 ZLIHPGPRCQLWOB-UHFFFAOYSA-N 428.935 6.032 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)cc2F)=C(c2ccc(F)cc2)C1=O 1863147077 AIJFJTMAIPSBKP-UHFFFAOYSA-N 430.470 5.656 30 10 IKEE CCCCCCN1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(OC(C)C)cc2)C1=O 1863363272 SKDPMXUEFNQKCX-UHFFFAOYSA-N 431.536 5.118 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCc2ccccc2)=C(c2ccc(C)c(C)c2)C1=O 1863607956 PUMUNLQZCURENO-UHFFFAOYSA-N 446.635 5.966 30 10 IKEE O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CCCN1Cc1ccccc1F 1868174191 NXOHNZWOIRYJFG-KRWDZBQOSA-N 434.355 5.466 30 10 IKEE CCCCCCCOc1cn(Cc2cccnc2)c(CN2C[C@@H](C)C[C@H](C)C2)cc1=O 1870410675 ATTQTMQPDTXYNM-VXKWHMMOSA-N 425.617 5.119 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc(C)c3C2=O)cc1 1871372793 LITDZMHBXHGVIN-FBHDLOMBSA-N 449.846 5.700 30 10 IKEE Cc1nc2ccc(C(=O)Oc3ccc4c(c3)O/C(=C\c3cccs3)C4=O)cc2nc1C 1871378901 GQEJFCGZCNDWBP-UUYOSTAYSA-N 428.469 5.144 30 10 IKEE CCCOc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(OC)cc2)C3=O)cc1 1871387995 SHOULRTYZPMZMZ-IWIPYMOSSA-N 444.483 5.628 30 10 IKEE Cc1c(OCCCOc2ccccc2)ccc2c1O/C(=C\c1ccc(N(C)C)cc1)C2=O 1871397998 DAJLLWRHXJNKGA-BWAHOGKJSA-N 429.516 5.525 30 10 IKEE Cc1ccc(OCCCCOc2ccc3c(c2C)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871404332 IUQPSDOVOJFPHG-UQQQWYQISA-N 448.946 6.811 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2cccc(F)c2)C3=O)c(C)c1 1871418597 BJNLXCGIVYMMDG-FMCGGJTJSA-N 431.463 5.385 30 10 IKEE Cc1cc(OCc2nc(O)c3ccccc3n2)cc2c1C(=O)/C(=C/C=C/c1ccccc1)O2 1871431077 UABLKRVLGJCMLP-JEUHMODBSA-N 436.467 5.395 30 10 IKEE Cc1c(OCC(=O)Nc2nc3ccccc3s2)ccc2c1O/C(=C\c1ccccc1)C2=O 1871442327 KYZRGWCYEQIDAY-MOSHPQCFSA-N 442.496 5.238 30 10 IKEE Cc1cc(OCC(=O)Nc2cccc(Cl)c2)cc2c1C(=O)/C(=C/c1ccccc1F)O2 1871454502 NLDOAIVTSATDHP-FBHDLOMBSA-N 437.854 5.421 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(O)cc2)[nH]c(N(C)Cc2ccccc2)n1 1871720535 ZWTZNAZKZIINDG-UHFFFAOYSA-N 434.588 5.152 30 10 IKEE C=CCN([C@H](CCC)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1872230101 ARZDQYADBXAMQG-OAQYLSRUSA-N 449.016 5.249 30 10 IKEE CCOc1ccc(-c2nc(C3=C(N)N(c4ccc(Cl)c(C)c4)CC3=O)sc2C)cc1 1872796363 WTTHBUWWSUQNGW-UHFFFAOYSA-N 439.968 5.196 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc2nc(CCCOc3ccc(C)cc3)[nH]c2c1 1872811408 TVRFYNYXIJMEJZ-UHFFFAOYSA-N 449.639 6.753 30 10 IKEE CCCCCCCCNC(=O)c1ccc(CN2CCN(C/C=C/c3ccccc3)CC2)cc1 1872885821 UKQKRVKBSSFOIG-SDNWHVSQSA-N 447.667 5.608 30 10 IKEE CCCCCCCCNC1=C(c2cccc(Cl)c2Cl)C(=O)N([C@H](C)CC)C1=O 1873129457 UNLSDHXEZGPCBM-OAHLLOKOSA-N 425.400 5.822 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(N3CCCCC3)cc2)cc2c(NCCCC)ncnc21 1873604157 MGKITFWYCLNYHE-UHFFFAOYSA-N 432.572 5.072 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C(C)C)cc2)cc2c(NCc3ccccc3F)ncnc21 1873637420 ZHNWWNQNMOGHLH-UHFFFAOYSA-N 443.526 5.744 30 10 IKEE CCCCCCCCNC(=O)[C@H]1c2ccccc2C(=O)N(CCOC)C12CCCCC2 1873886466 WNZOINIARYOSJT-HSZRJFAPSA-N 428.617 5.052 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1ccccc1F 1874207568 PUWKNFISZONQNB-FSJBWODESA-N 445.361 5.321 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2ccccc2Cl)cc1 1874390136 WLJJUKMRKHZONH-OVVQPSECSA-N 447.007 6.048 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccccn1 1874401537 POFBJRKOVPXJSC-CIRUFVMISA-N 433.968 5.653 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3)n2/N=C/c2ccccc2Cl)c1 1874417133 ZYXFDCMOYJQYDY-JVWAILMASA-N 447.007 6.314 30 10 IKEE CN(C)c1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2[C@H]2CCCO2)cc1 1874445725 JMHZPLSDVYFQCZ-LSCMLXDISA-N 441.988 5.024 30 10 IKEE CC(C)(C)c1ccc(/C=N/n2c(SCCc3ccccc3)nnc2C2CCCC2)cc1 1874456200 GMADFQIAQVEXML-ZXVVBBHZSA-N 432.637 6.450 30 10 IKEE C=C(C)CSc1nnc(C(C)C)n1/N=C/c1ccc(N(CC)Cc2ccccc2)cc1 1874513070 FYUGBVGNKWPHJP-WGOQTCKBSA-N 433.625 5.978 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C(C)C)cc1 1874515796 QDRBHKCAWOTSSH-ZVHZXABRSA-N 428.989 6.018 30 10 IKEE Clc1ccc(CSc2nnc(C3CC3)n2/N=C/c2c[nH]c3ccccc23)c(Cl)c1 1874523401 OQOHGHPJKYQFMP-OPEKNORGSA-N 442.375 6.118 30 10 IKEE Sc1nnc(CC2CCCCC2)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874560999 ZOXTVSJXEHNFIN-MFKUBSTISA-N 441.000 5.804 30 10 IKEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1ccc2ccccc2c1)Nc1nccs1 1874571316 HHWOIVIWTULQIQ-VQHVLOKHSA-N 448.931 5.863 30 10 IKEE O=C(/C=C/c1ccccc1OCc1nc(O)c2ccccc2n1)c1ccc2ccccc2c1 1874571557 UKJJIWULNXNYEF-FOCLMDBBSA-N 432.479 5.964 30 10 IKEE Cc1ccc(C(=O)/C=C/c2c(OCC(=O)NC3CCCCC3)ccc3ccccc23)cc1C 1874588630 WIDPTWVKWCMEPA-FOCLMDBBSA-N 441.571 6.180 30 10 IKEE CCc1ccccc1NC(=O)COc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC 1874598183 YYEPFHAVWLIXGX-RIYZIHGNSA-N 433.479 5.310 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OCC(=O)Nc2cc(C)cc(C)c2)c(Cl)c1 1874610189 FWTOMECPFUPIGD-CSKARUKUSA-N 449.934 5.879 30 10 IKEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1Br 1874617748 RIHGCTBBLWKKDW-DHZHZOJOSA-N 444.369 5.209 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCc3ccccc3)c(Cl)c2)cc1C(C)C 1874627229 NLHHCMZECMIVPH-ZRDIBKRKSA-N 434.963 7.256 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cc(Br)c(OC)c(OC)c2)c1 1874630044 HOLUZECENDYOMZ-VQHVLOKHSA-N 435.314 5.160 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(OCC(C)C)cc3)c2)cc1 1874701100 BCOLTAQCRWNDQV-CAOOACKPSA-N 444.527 6.235 30 10 IKEE CCCCCCCCC(=O)Oc1cccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1 1874718908 PXRMVRAJIIDYBT-NTCAYCPXSA-N 433.375 7.546 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)C3CC3)c(OCC)c2)cc1 1875106145 DQFUVURURVKBBP-NTEUORMPSA-N 426.940 6.293 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)c1cccc(F)c1 1875120133 DDORZVPOJRNOPV-VMPITWQZSA-N 446.808 5.881 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3ccccc3C)c(OC)c2)cc1 1875129611 LHTMWELPVRVSTL-XNTDXEJSSA-N 446.499 5.526 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1cccc(Cl)c1 1875133140 GXUBGYOUJFZBNZ-FMIVXFBMSA-N 436.891 5.781 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)c1ccc(F)cc1 1875162152 YWKFCPXHBNGGSZ-XCVCLJGOSA-N 442.389 5.236 30 10 IKEE Cc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)cc2[N+](=O)[O-])c1 1875169695 YAOHZWKLKRKJFJ-PKNBQFBNSA-N 443.499 6.252 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(Br)c1OC(C)=O 1875170167 KHVSSVZRDKJIQX-BQYQJAHWSA-N 431.326 5.513 30 10 IKEE C#CC[C@H](C)C[C@@H](NCCC)c1ccc(I)c(Br)c1 1887452207 JTGKCJCKUXXLQT-BLLLJJGKSA-N 434.159 5.144 30 10 IKEE C#Cc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc(C(=O)OC(C)(C)C)c1 1887521732 HFTSPTXIPINRFP-UHFFFAOYSA-N 439.511 5.984 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@@]2(C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)C1 1918265115 RQYXQQDIIHSSPW-RPBOFIJWSA-N 447.620 5.630 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1cc(Cl)cc(NC(=O)OC(C)(C)C)c1 1922125664 OWKZSHRJUUOHHZ-QFIPXVFZSA-N 430.976 6.111 30 10 IKEE CC(C)(C)OC(=O)N(CC1CC1)[C@H](C#N)c1c(Br)cccc1Br 1938364749 IPLOZLBDJVXMAE-CQSZACIVSA-N 444.167 5.423 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1944737467 YMOWQYGHPDKJCR-MOPGFXCFSA-N 449.979 5.763 30 10 IKEE C=CCCCCCCCC[C@H](O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2026314700 VJCZALAKIPMABG-DEOSSOPVSA-N 432.649 5.681 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)C2(C)C)cc1 2035988597 KNDFCYISUOXWNW-XMMPIXPASA-N 445.560 5.118 30 10 IKEE CC(C)(C)OC(=O)NCC[C@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C1 2038869256 LUDIZAGTJNACMF-CLOONOSVSA-N 443.588 5.795 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)C1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2042148985 NTKSBGNSIFSJGY-IAGOWNOFSA-N 447.551 5.352 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(C)C 2051305462 KGXCXPLWCNOGLO-GVAUOCQISA-N 444.660 5.657 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@H](CNC(=O)OC(C)(C)C)C2(C)C)cc1 2053042057 AGFLOWTXXXGQFG-IQGLISFBSA-N 443.588 5.570 30 10 IKEE CCC(=O)/C=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 2060406195 LQNQVXFWGPJKCP-QPJJXVBHSA-N 444.152 6.336 30 10 IKEE CC(C)(C)[C@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)(F)F)c(C=NO)c1Cl 2079845429 SETSCVJUBNMFSR-ZDUSSCGKSA-N 445.766 6.157 30 10 IKEE COc1ccc([C@@H](C(C)C)n2nc(C(F)(F)F)c(C=NO)c2Br)cc1C 2080004735 FRUCAOXJDFLMPM-CQSZACIVSA-N 434.256 5.035 30 10 IKEE C=CCC1([C@@H](NCC)c2cc(Cl)cc(Br)c2)CN(C(=O)OC(C)(C)C)C1 2136666175 GMBUEFDYUUURCT-KRWDZBQOSA-N 443.813 5.566 30 10 IKEE CCCCCCCCCC[C@@H](NC)c1csc(Br)c1Br 2150343235 LOBSQKSCHFJRQO-CQSZACIVSA-N 425.274 7.064 30 10 IKEE CC(C)(C)OC(=O)N[C@H](CCNc1ccc(Br)cc1C#N)c1ccccc1 2162413863 HJNBJFBIRWHCIJ-LJQANCHMSA-N 430.346 5.389 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCCN1c1cc(Br)ccc1C#N 2174812314 JUHFILNHTWRRDM-ROUUACIJSA-N 434.378 5.079 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCN[C@@H](C2CCC2)C1 2194162175 YNJYOFLADNXKFQ-WIYYLYMNSA-N 434.378 5.005 30 10 IKEE C=CCCCCCCCCC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2207413239 JAGURIXTISBBHE-UHFFFAOYSA-N 438.406 7.286 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)C1(C)CCN(Cc2ccccc2)CC1 2235736245 XIJCNNNWAIGKLN-QHCPKHFHSA-N 425.414 5.081 30 10 IKEE CN[C@@H](C#Cc1ccccc1Br)c1cc(NC(=O)OC(C)(C)C)ccc1C 2237309453 AJVXGQNFHDCJPE-FQEVSTJZSA-N 429.358 5.417 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2cccc(Br)c2C#N)C[C@@H]1C(F)(F)F 2279229007 UJZMNGNXKCWOIP-IAQYHMDHSA-N 448.283 5.063 30 10 IKEE C=CCCC1([C@@H](Cc2cccc(Br)c2C)NC)CN(C(=O)OC(C)(C)C)C1 2281043864 XYISWHRBTBFOCG-LJQANCHMSA-N 437.422 5.091 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H](CCC(C)C)NC(=O)OC(C)(C)C 2296302852 ORUPFLSLNNKEJE-VQTJNVASSA-N 437.422 5.108 30 10 IKEE CCCCCCCCOc1ccc(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1 2297314353 CTWBLRNUTHKPTJ-UHFFFAOYSA-N 434.536 5.401 30 10 IKEE N#CC1(c2ccc(NC(=O)C=Cc3ccc(-c4ccc(F)c(Cl)c4)o3)cc2)CCCC1 2313961502 NBBGWGYCALQUBT-UHFFFAOYSA-N 434.898 6.726 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)cc1 2319198534 LOJWIUYGDRDXCD-VAMGGRTRSA-N 445.560 5.022 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CC2)cc1OC 2320858280 CRMCAIPGMAXOTK-UHFFFAOYSA-N 442.972 5.391 30 10 IKEE Cc1ccc(Cc2nnc(S)n2N=Cc2ccc(OCc3ccccc3C)cc2)cc1C 2321998491 CNBWBJQQHAPLAA-UHFFFAOYSA-N 442.588 5.544 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccccc1)C3=O)CN(CCc1ccc(Cl)cc1)CO2 2322286529 DKWCKWVKFPTPLN-UHFFFAOYSA-N 431.919 5.659 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(Cl)cc2C=CC(=O)c2ccc(Cl)cc2)c1 2322534998 QVDPZVQUQCBPRH-UHFFFAOYSA-N 440.326 6.215 30 10 IKEE CC(C)(C)c1ccc(C=NNc2cnn(-c3ccc(Cl)c(Cl)c3)c(=O)c2Cl)cc1 2322617464 OFWWFAOJAXHGIA-UHFFFAOYSA-N 449.769 5.936 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccc(F)cc1 2322748030 DWIPXXWVXLCTIS-UHFFFAOYSA-N 433.523 5.902 30 10 IKEE COc1cccc2cc(C(=O)Oc3ccc4c(c3)OC(=Cc3cccc(Cl)c3)C4=O)oc12 2322860152 UQGJKIVIURLKFH-UHFFFAOYSA-N 446.842 5.930 30 10 IKEE Cc1cc(OC(=O)Cc2cccs2)cc2c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O2 2322868617 GBUZHPYDBOYXSW-UHFFFAOYSA-N 445.323 6.128 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1cc(Cl)ccc1OCc1ccccc1 2322931777 WERUEWNBGRYBSA-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE Cc1cc(OC(=O)C(c2ccccc2)c2ccccc2)cc2c1C(=O)C(=Cc1ccccc1)O2 2323208162 JFFUYVYCOVELMQ-UHFFFAOYSA-N 446.502 6.349 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1OCc1ccc(Cl)cc1 2323302763 VLCXOYMFIIVTJA-UHFFFAOYSA-N 448.990 7.430 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)cc1OC 2323439554 ZXWCLPCMEVZDLG-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3cccc(OC)c3)cc2Cl)o1 2323486956 ROIWTKLVZJLGSK-UHFFFAOYSA-N 426.852 5.203 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2Cl)cc(OC)c1OCc1ccc(F)cc1 2323626942 KKIDSEFEIUROAC-UHFFFAOYSA-N 436.910 6.691 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCc3c(F)cccc3Cl)c([N+](=O)[O-])c2)c(C)c1 2323858457 ZPIHHOOEXMFNAZ-UHFFFAOYSA-N 439.870 6.479 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)c1 2323889715 HOWJWRSALBYBQO-UHFFFAOYSA-N 448.858 5.491 30 10 IKEE C[C@H](NC(=O)COc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1)c1ccccc1 2324055328 UXQMWOWMZDLZMY-NRFANRHFSA-N 441.571 6.136 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccccc1)C2=O 2324345603 JQCOWXBXPAMFBJ-LJQANCHMSA-N 441.527 5.888 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2F)C3=O)cc1 2324478241 NAMCSDMOSPJLOK-KRWDZBQOSA-N 445.490 5.719 30 10 IKEE COC(=O)c1ccc(C=C2Oc3cc(OCCc4ccc(C)cc4)cc(C)c3C2=O)cc1 2325372672 IIRALDCVPMXLQZ-UHFFFAOYSA-N 428.484 5.328 30 10 IKEE CCCOc1ccccc1C=Nn1c(CCC)nnc1SCc1cccc(Cl)c1 2325565354 FNAZBSSOVSSILK-UHFFFAOYSA-N 428.989 5.847 30 10 IKEE Clc1ccc(C=Nn2cnnc2SCc2c(Cl)cccc2Cl)cc1Cl 2325665386 RLGCNODNMZVKTO-UHFFFAOYSA-N 432.163 6.066 30 10 IKEE COc1cccc(CCC(=O)Oc2cccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)c2)c1 2325690207 SHSRCYUWJZKAIB-UHFFFAOYSA-N 431.444 5.038 30 10 IKEE COc1ccccc1C(=O)C=Cc1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 2325724641 DEUKEDYYJSYDCY-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2)cc1OC(=O)C(c1ccccc1)c1ccccc1 2325731092 XWQRNYRJVINRBK-UHFFFAOYSA-N 448.518 6.329 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)c2)cc1 2325738390 NPHFHLFMQJGVPQ-OAQYLSRUSA-N 428.528 6.387 30 10 IKEE COc1cccc(C(=O)Oc2cc(C=CC(=O)c3cc(C)cc(C)c3OC)ccc2OC)c1 2325757071 UVSZGMIHQCUNCB-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE CCc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c(OC)c3OC)c2)cc1 2325787444 RFFKLEGCWHKJCJ-UHFFFAOYSA-N 446.499 5.390 30 10 IKEE CCOc1cccc(C=Nn2c(CCCOc3c(C)cccc3C)nnc2SCC)c1 2326380133 RPMFWVWDSZWMNU-UHFFFAOYSA-N 438.597 5.299 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccccc1OCC 2326639965 NWGCNIALLQUKHB-UHFFFAOYSA-N 430.577 5.957 30 10 IKEE CCCSc1nnc(COc2cc(F)ccc2F)n1N=Cc1c[nH]c2ccccc12 2327482194 HMJGUKJBGXQADN-UHFFFAOYSA-N 427.480 5.001 30 10 IKEE CSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1c(Cl)cccc1Cl 2328003481 SVKYSGWDJFDUKA-UHFFFAOYSA-N 425.772 5.628 30 10 IKEE Cc1ccc(CSc2nnc(COc3c(C)cccc3C)n2N=Cc2cccs2)cc1 2328545644 TYUROFHDGOYRJZ-UHFFFAOYSA-N 448.617 6.018 30 10 IKEE C=CCSc1nnc(CCc2cccc(OC)c2)n1N=Cc1ccc(OCCC)cc1 2328652434 PLPPHNWOTGSEAP-UHFFFAOYSA-N 436.581 5.021 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2C)n1N=Cc1ccc(O)c(OCC)c1 2329487245 GQHATYWTQADOJD-UHFFFAOYSA-N 436.581 5.026 30 10 IKEE Clc1cccc(CSc2nnc(-c3ccccc3Cl)n2N=Cc2ccc[nH]2)c1 2329610819 SXEWMKLSCZYERA-UHFFFAOYSA-N 428.348 5.755 30 10 IKEE COc1ccc(C=Nn2c(COc3ccccc3)nnc2SCc2cccc(F)c2)cc1 2329898350 MHFZGZDONUGERU-UHFFFAOYSA-N 448.523 5.179 30 10 IKEE CCCSc1nnc(Cc2ccc(C)cc2)n1N=Cc1cc(Br)ccc1O 2330015463 RDOIZGTYAOKBOS-UHFFFAOYSA-N 445.386 5.030 30 10 IKEE Fc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccc(Cl)cc2)cc1 2330283005 MZAGZRYQQCACQS-UHFFFAOYSA-N 442.991 6.368 30 10 IKEE CC(C)COC(=O)CSc1nnc(CC2CCCCC2)n1N=Cc1ccc(Cl)cc1 2330288419 MEOOOJWCSVAQPS-UHFFFAOYSA-N 449.020 5.228 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3cccs3)n2N=Cc2cccc(O)c2)c1 2330393502 MUNJRKKWDOUWAK-UHFFFAOYSA-N 434.590 5.427 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1 2330592821 JJWLOIMOELEEAT-UHFFFAOYSA-N 432.519 6.706 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3cccc(C)c3C)c(Cl)c2)cc1 2330743719 DAOFMVRGJJZCGG-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2)cc(Cl)c1OC(=O)[C@H]1CCCO1 2330868980 QSHIZVKEARBDPU-OAQYLSRUSA-N 444.911 5.036 30 10 IKEE C=C(C)CSc1nnc([C@H]2CCCO2)n1N=Cc1cccc(OCc2ccccc2)c1 2330951427 IWEQVYCBVXTVLK-JOCHJYFZSA-N 434.565 5.259 30 10 IKEE Cc1ccccc1CSc1nnc(C2CCCC2)n1N=Cc1ccccc1OC(C)C 2331030240 NJOYMXRPHJAMSU-UHFFFAOYSA-N 434.609 6.206 30 10 IKEE Oc1cccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CCCC2)c1 2331084589 LHZPEYRZCOEDBD-UHFFFAOYSA-N 428.561 5.969 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)c1ccc(C)cc1 2331104308 IAWNCFOQRIAQTC-UHFFFAOYSA-N 448.465 6.126 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OC(=O)c1cc2ccccc2n1C 2331108762 LFGUYEFBOIYUBN-UHFFFAOYSA-N 447.437 5.580 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(F)(F)F)n2N=Cc2ccccc2OC(C)C)c1 2331138167 FOJRUFWFUSLMNW-UHFFFAOYSA-N 448.514 5.875 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccco3)n2N=Cc2c(Cl)cccc2Cl)cc1 2331167908 PGXWJFARSNIKND-UHFFFAOYSA-N 443.359 6.328 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cc(C)ccc3C)c(OC)c2)cc1 2331211329 KFAGIPRYADWEES-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)CCCSC 2331218555 KMRQTZDTNDGQRP-UHFFFAOYSA-N 428.550 5.265 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2OC)cc1OC 2331232863 ROAZNFPGZVVBAR-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)c3cccc(Oc4ccccc4)c3)cc2)c1 2331316039 ONYQHVNBRWBBEX-UHFFFAOYSA-N 448.518 7.211 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccccc2CC)n1N=Cc1ccccc1C 2331322867 ZZKKCNPJMLTXKQ-UHFFFAOYSA-N 435.597 5.105 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)C(F)(F)F 2331323707 YBBFABYDLKWSOD-UHFFFAOYSA-N 426.818 5.719 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Br)c1OC(=O)C1CCC1 2331326299 URUGCRZMHSKYAJ-UHFFFAOYSA-N 443.337 5.676 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)CCCOc2cccc(C)c2)cc1 2331352436 VOAHDMWCIQQXQS-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OC(=O)CC(C)(C)C 2331443446 RAKMRIZQDNKWFT-UHFFFAOYSA-N 444.911 5.705 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1[N+](=O)[O-] 2331474104 FFOOIXWRCCMJHH-UHFFFAOYSA-N 437.451 6.172 30 10 IKEE Oc1ccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CCC2)cc1O 2331541839 DVILCIGGUNOTPR-UHFFFAOYSA-N 449.363 5.438 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)C3CC3)c(Cl)c2)cc1 2331543403 NDVCOPWAGSTZMC-UHFFFAOYSA-N 440.967 6.901 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCSC)c([N+](=O)[O-])c2)c(C)c1C 2331618191 SKDBLBNXLRCHHD-UHFFFAOYSA-N 443.521 5.165 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1cc(Br)ccc1F 2331624927 SRYRVPPTYIXNPI-UHFFFAOYSA-N 447.377 5.615 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2C(C)C)cc1 2331700399 IKKXRYGFJBEKBN-UHFFFAOYSA-N 435.641 6.039 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)C2CC2)c(Br)c1 2331756765 GPTAWBDIQGMTMI-UHFFFAOYSA-N 449.728 5.631 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)cc(Cl)c1OC(=O)C(C)C 2331857400 SCHAULBHHQYAGD-UHFFFAOYSA-N 427.711 6.113 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cc(Cl)ccc3Cl)cc2)cc1C 2331859681 IORXZYFKNMKHII-UHFFFAOYSA-N 425.311 6.726 30 10 IKEE CCCCCCCCCCCCCC=C[C@H](O)[C@H](CO)NC(=O)NCCCCCC 2333253062 MIADELGCYXNHNP-ZEQRLZLVSA-N 426.686 5.845 30 10 IKEE C[C@@H]1C[C@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN(Cc2ccccc2)C1 2339534327 DXCMFJGPQZDSQP-OFNKIYASSA-N 433.405 5.049 30 10 IKEE CC1(C)OB(/C=C/c2ccc(N3CC[C@@]3(C)CCOCc3ccccc3)nc2)OC1(C)C 2339540793 BMALSBJBPWDWHE-KWAUPFKJSA-N 434.389 5.302 30 10 IKEE CC(C)C[C@@H](CNC(=O)OC(C)(C)C)Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339587547 WGELNUFYEATCRC-IBGZPJMESA-N 445.413 5.078 30 10 IKEE CO[C@]1(C)C[C@@H]2C[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2356218497 GMXXBEKTNRBMBK-YJPXFSGGSA-N 435.362 5.288 30 10 IKEE COc1ccc(/C=N/c2ccc(-c3nc4cc(C)ccc4o3)c(O)c2)cc1Br 3099174 DBARJHAKCVNJDG-WYMPLXKRSA-N 437.293 6.031 30 10 IKEE C=C(C)COc1cccc(NC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 9824342 TYHDUGPAVGUHND-UHFFFAOYSA-N 432.358 5.719 30 10 IKEE C=CCNC(=O)c1cccc2c1N[C@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@H]21 14469921 AOGSDGIGTFTVIZ-NLJOTIRTSA-N 436.555 6.008 30 10 IKEE c1ccc(C[C@H]2[C@H](c3ccccc3)/C(=N/c3ccccc3)c3cccc4c3N2CCC4)cc1 15774468 CSPQLOLMQSLGIF-JIPWBFDPSA-N 428.579 6.969 30 10 IKEE CCN1C(=O)/C(=C\c2cc(Br)c(OC)cc2OC)S/C1=N\c1ccccc1 17167491 VAZLWADNTQRQKV-AUCMGLCLSA-N 447.354 5.090 30 10 IKEE COCC/N=c1\scc(-c2ccc(Cl)cc2)n1/N=C1/CCCCc2ccccc21 33655907 URJQYXHNFOLVPX-BAMJYUKISA-N 425.985 5.396 30 10 IKEE O=C(/C=C\c1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1)c1ccc(F)cc1 33761653 SEPAHOILTXRJPS-KHAJGJNHSA-N 435.292 6.380 30 10 IKEE C=CCOC(=O)C1=C(C)N(Cc2ccc(F)c(F)c2)C(=O)C[C@@H]1c1ccc(Cl)cc1 37577364 BSECAYXAXSLNAE-GOSISDBHSA-N 431.866 5.138 30 10 IKEE C=CCc1ccccc1OCCn1c(COc2ccc(C(C)(C)C)cc2)nc2ccccc21 40235941 LCOYWDANKIQQEK-UHFFFAOYSA-N 440.587 6.720 30 10 IKEE CCCCCCCCCCCCCCCCNCC(=O)Nc1ccc(O[C@@H](C)CC)cc1 100055820 PPLYJAWRJOBBDK-VWLOTQADSA-N 446.720 7.873 30 10 IKEE CCCCCCCOc1c(Cl)cc(C(=O)NC[C@@H](c2ccco2)N(C)C)cc1Cl 101343867 SQXBBQFWIWDXCU-IBGZPJMESA-N 441.399 5.968 30 10 IKEE CCCCCCCCCCn1c([C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)nc2ccccc21 102103827 OHGZOMALSLDCHS-UKILVPOCSA-N 445.651 7.254 30 10 IKEE CCCCCCCCCn1c(CCCCCNC(=O)[C@H]2CCCO2)nc2ccccc21 102179297 WPUPXFJFFMTSHG-XMMPIXPASA-N 427.633 5.795 30 10 IKEE CCc1ccc(-c2nc(C)c(C(=O)/C=C3/NCCc4cc5c(cc43)OCCCO5)s2)cc1 102588230 GZJLRCIXDCZGMY-RCCKNPSSSA-N 446.572 5.212 30 10 IKEE CCCCCCCC(=O)N[C@@H](C(=O)Nc1nnc(-c2ccc(OC)cc2)s1)[C@@H](C)CC 102992752 VMKWGLNLSUTWAM-OXJNMPFZSA-N 446.617 5.044 30 10 IKEE CCCCCCCCC(=O)N1CCC[C@H]1C(=O)Nc1nnc(-c2cccc(Cl)c2)s1 102996004 QOIDQVPCPJEQQT-SFHVURJKSA-N 449.020 5.539 30 10 IKEE CSC1=N/C(=N/c2c(C)cccc2C)C2(CCCC2)N1c1cccc(C(F)(F)F)c1 103769105 LHRLYJAIXOCCJQ-NHFJDJAPSA-N 431.527 6.904 30 10 IKEE COc1ccc(/N=C(\N2CCCCC2)[P@](=O)(N2CCCCC2)N(C(C)C)C(C)C)cc1 103940332 CVZBIJNKNBIRMM-RDBYLQOSSA-N 448.592 5.966 30 10 IKEE CCOC(=O)c1cc(CC(C)C)sc1N/C=C1/C(=O)C=Cc2oc3c(c21)CCCC3 136031512 PEMYDJXBXQQLRC-AQTBWJFISA-N 425.550 5.644 30 10 IKEE COc1cccc(/C=N\Nc2nc(-c3ccccc3)cs2)c1OCc1cccc(C)c1 169942755 UEVQKIZTIXQIPE-YSMPRRRNSA-N 429.545 6.152 30 10 IKEE CN(C)c1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2ccccc2)cc1 169953477 YAUIAODCGRYQFA-SANMLTNESA-N 448.522 5.689 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccc(N(C)C)cc2)c1 169966827 YBKOCVVUUCXCFP-VWLOTQADSA-N 440.543 5.461 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1cccs1)c1c[nH]c2ccccc12 169983700 VQSFJBBRZVYNEU-HXUWFJFHSA-N 436.439 5.291 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@@H]1c1cccs1 169984445 VOHQNGBLACTGNK-QFIPXVFZSA-N 437.948 5.812 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1ccccc1)c1c[nH]c2ccccc12 170055069 CEQTZECPGXQYQX-DEOSSOPVSA-N 440.474 5.128 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(C(C)C)cc1 170066972 PLAGLRMFBKFSKN-HSZRJFAPSA-N 431.488 5.190 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2sccc2C)cc1 170105997 DMIRMVTWWJNLOX-QFIPXVFZSA-N 433.529 5.167 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1ccc(O)cc1 170137558 FBRJXWNISGLFHS-OAQYLSRUSA-N 439.895 5.560 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCCC)[C@@H]2c2ccncc2)cc1 170211133 FSIKRPDUUDQVOZ-HSZRJFAPSA-N 436.552 5.419 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2ccc(OCC)cc2)cc1C 170214101 OLOATJPJTHCFTO-HSZRJFAPSA-N 437.536 5.171 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1C 170226629 OLKUFWIWTASFTD-QHCPKHFHSA-N 447.918 5.830 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2)cc1C(C)(C)C 170230352 VFTAAHMLVLFNNE-QHCPKHFHSA-N 445.515 5.364 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccccc1F 170251563 QNHDXFNDSOPYTC-QFIPXVFZSA-N 437.511 5.362 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(CC)cc1 170267707 OYQMSUJRMVWTOA-FQEVSTJZSA-N 432.347 5.934 30 10 IKEE CCN(CC)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccccc2C)cc1 170396747 WODLNOZTZLJEAD-HSZRJFAPSA-N 430.504 5.217 30 10 IKEE CN1CCC[C@H](Oc2ccc(C#Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)C1 248145442 ROMXVLOCXKBQID-FQEVSTJZSA-N 427.388 5.597 30 10 IKEE COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C\c3ccc(OC(F)F)cc3)C[C@H]12 253485882 SDYMIDMUFXWPCF-ZQCWLIETSA-N 438.514 6.415 30 10 IKEE C=C(C)[C@@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 253530453 FELCJAPFJOPHSD-MEBXIWODSA-N 440.712 7.204 30 10 IKEE biogenic FC(F)Oc1ccccc1C=NNc1nc(C(Cl)(Cl)Cl)nc2ccccc12 254387428 YMLWIUXWMNGENR-UHFFFAOYSA-N 431.657 5.504 30 10 IKEE C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@@H](C)C(C)(C)O)C[C@H](O)C[C@H]1O 328578091 ZGLHBRQAEXKACO-BPRPVYICSA-N 428.657 5.727 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(Cl)cccc1Br 407257747 QHPXOLBGLKCSEH-DOTOQJQBSA-N 431.802 5.613 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(OC)cc2)c1 526490695 XPDBLWYTDRDCAY-DEOSSOPVSA-N 426.472 5.023 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3cccc4ccccc34)[C@@H]2c2ccccc2C(=O)O)cc1 526491693 OHZPJJODAIBDLL-VWLOTQADSA-N 446.462 5.467 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2c(C)n(C)c3ccccc23)c1 526515224 IJGLSDSMCHYYPW-SANMLTNESA-N 449.510 5.424 30 10 IKEE CCCCOc1cccc(/C=N\n2c(CCCC)nnc2SCc2ccccc2F)c1 526803729 KIXPYIGIDQUTDA-ONUIUJJFSA-N 440.588 6.113 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccc(OC)cc1OC 526816627 GDBRMEFHEHFJEG-OYKKKHCWSA-N 444.988 5.466 30 10 IKEE Cc1cccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccccc2Cl)c1 526816630 GGTOKYBAISNEIA-PKAZHMFMSA-N 447.007 6.200 30 10 IKEE CCc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccccc1OCC(C)C 526817229 XQILEGOHZVTPFX-CFRMEGHHSA-N 428.989 5.703 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1cn(CC)c2ccccc12 526825353 DFMWJCDQBPTHLF-YSMPRRRNSA-N 435.572 5.909 30 10 IKEE CCCCCCCCC[C@@H](CN)N(C(=O)OC(C)(C)C)c1ccccc1Br 698282860 WPXQHOSGFNCOEG-SFHVURJKSA-N 441.454 6.659 30 10 IKEE O=C(Nc1cccc(F)c1)[C@@H]1CC(=O)N(Cc2cccs2)C(=Nc2ccccc2)S1 1083895527 KIAJADNXUOYZLW-IBGZPJMESA-N 439.537 5.048 30 10 IKEE Cc1cc(C=Nc2cccc(Br)c2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 1083936083 XJUUUQKNSXLPNM-UHFFFAOYSA-N 431.717 5.959 30 10 IKEE Cc1ccccc1N=Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 1084110651 VNGJYFKNDSQOMK-UHFFFAOYSA-N 446.981 8.524 30 10 IKEE CC(/C=C1\S/C(=N\N=C/c2ccccc2C)N(Cc2ccco2)C1=O)=C\c1ccccc1 1554646824 PYRWDHQGFOLKPZ-ZUIPQRTDSA-N 441.556 6.041 30 10 IKEE CCCCCOc1ccccc1CN1C(=O)C(=NO)c2cc(Br)cc(C)c21 1772729096 WYONEOFWSHZDOF-UHFFFAOYSA-N 431.330 5.052 30 10 IKEE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNc2cccc(C(F)(F)F)c2)CCC3)nc1 1772750979 ROXBUELQQWQVPA-UHFFFAOYSA-N 442.441 5.715 30 10 IKEE CCCCCCn1c2ccccc2c2nnc(NN=Cc3ccc(OCCCC)cc3)nc21 1772765201 YBZMEQHJENSZMY-UHFFFAOYSA-N 444.583 6.185 30 10 IKEE Cc1ccc(N(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CCCCC2)c(F)c1 1860432221 JOZLLLFVBCYBNB-UHFFFAOYSA-N 447.394 7.151 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)COc1ccccc1CC 1861799357 MBPDJLRXOBMJSV-HSZRJFAPSA-N 432.649 5.560 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccccc2Cl)cc1C 1862403540 YLBVHMSOCMUVNF-NRFANRHFSA-N 427.928 5.281 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862405290 OOUYADWVPXPOBM-DEOSSOPVSA-N 449.591 6.070 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1c(F)cccc1Cl)c1ccc(F)cc1F 1862420194 FEYIMDMREZHKLZ-FQEVSTJZSA-N 449.856 5.668 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)c(OCCC)c2)[C@@H]1c1ccc(C)cc1 1862426488 VYJFQKHQSGEODS-DEOSSOPVSA-N 449.547 5.337 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cccc2ccccc12)c1ccccc1Cl 1862434616 CSESGQBOVBPSMW-HSZRJFAPSA-N 431.919 6.014 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1C 1862441588 ALQHDADUXSPZBA-OFNKIYASSA-N 439.983 6.586 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2cccc(C)c2)cc1 1862442042 FTPGDNIAJNWQKZ-HSZRJFAPSA-N 431.919 5.735 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccc(O)cc2)c1 1862442712 KPFWCLNXFXOXEZ-QFIPXVFZSA-N 433.891 5.133 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862474986 ZZDMOGOOBAGPDA-RUZDIDTESA-N 425.528 5.644 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC)cc1OCC 1862485136 YYEKSQRYSNTSRL-HSZRJFAPSA-N 437.536 5.171 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2cc(C)ccc2C)c1 1862489591 CVGVAUJQOSOCHX-SANMLTNESA-N 439.555 6.007 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1c(Cl)cccc1Cl 1862498357 GILHSRJZAVWMMP-HXUWFJFHSA-N 432.347 5.989 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2Cc2ccccn2)cc1 1862543194 AKHLCGBDGWUDED-RUZDIDTESA-N 438.527 5.047 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862581388 GXUUSDABLAUGJQ-XCLFUZPHSA-N 432.347 5.933 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1c(Cl)cccc1Cl 1862597556 KVWSLQKOVJINCH-LJQANCHMSA-N 434.319 5.323 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(C)cc1 1862661557 VMNMZPVQRFGDFN-VWLOTQADSA-N 449.591 5.904 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccccc2F)cc1 1862663180 QKFSFDPTLGKMPP-HSZRJFAPSA-N 430.479 5.123 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc(O)cc2)cc1 1862663959 YZXMQENDDAETDU-BSDZUQITSA-N 433.548 5.673 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2ccccc2Cl)c1 1862701253 ZFRMWZRQMNPTOU-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE COc1cc(/C=C/C(=O)N[C@@H](C#N)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 1868019849 DOOJGCCXHQXMGF-QSUDNNBSSA-N 446.934 5.630 30 10 IKEE CCCc1nc(Nc2cccc(C#N)c2)cc(N2[C@@H](Cc3ccccc3)COCC2(C)C)n1 1868378637 QENVDVKJARBZTK-QHCPKHFHSA-N 441.579 5.271 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N2CCC(C)CC2)nn1-c1ccc(OC)cc1 1869932796 WMNJIYCMBNJTJN-UHFFFAOYSA-N 427.593 5.201 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)n(-c2ccc(C)cc2)n1 1870001703 PWYDNZBEDARFED-LEWJYISDSA-N 447.970 5.150 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCCC)c(=O)cc1CSC(C)(C)C 1870227775 YITLHRXLVBMYEJ-UHFFFAOYSA-N 425.635 5.573 30 10 IKEE CC(C)SCc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCCCc1ccccc1 1870233120 WPXHLHAXBRNFTM-UHFFFAOYSA-N 446.616 5.963 30 10 IKEE CCCCCCCOc1cn(CCC2=CCCCC2)c(CN2CCC[C@H](C)C2)cc1=O 1870416977 XUORUJKFOBVRIL-QHCPKHFHSA-N 428.661 6.320 30 10 IKEE C=CCn1cc(OCc2ccccc2)c(=O)cc1CNc1ccc(N(CC)CC)cc1C 1870895193 YGJGEXGIGJSFLG-UHFFFAOYSA-N 431.580 5.380 30 10 IKEE C=CCn1cc(OCc2c(F)cccc2Cl)c(=O)cc1CNc1ccc(Cl)cc1 1871089433 LFMUHPVORXVLQO-UHFFFAOYSA-N 433.310 5.671 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1cn(C)c4ccccc14)C3=O)CN([C@H]1CCCC[C@@H]1C)CO2 1871355976 OYGWPVUWZAHSAU-HJSUNFOGSA-N 442.559 5.834 30 10 IKEE Cc1cc(OC(=O)/C=C/c2ccc(C(C)C)cc2)cc2c1C(=O)/C(=C/c1cccnc1)O2 1871379612 GOCLZEZQHGKPSU-GXWRHTCTSA-N 425.484 5.748 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2C)C1=O 1871382142 LREOYDJRLFLWTC-DYAARSSKSA-N 441.439 5.447 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCCCCOc4ccccc4)ccc3C2=O)c(OC)c1 1871403206 FVIGHPPAKSYVJH-QQXSKIMKSA-N 446.499 5.558 30 10 IKEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1871817028 MMWAXZLFPVYHGY-NRFANRHFSA-N 442.625 5.240 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1cccs1 1872299805 LERLYYOWBCUCCH-SFHVURJKSA-N 441.018 5.084 30 10 IKEE C=CCN([C@H](C(=O)Nc1cccc(C)c1C)[C@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872521312 HJKICKGKWYYPLQ-OSPHWJPCSA-N 442.625 5.150 30 10 IKEE CCOc1ccc(/C=C(/C(=O)[C@@H](C#N)c2nc(C(C)(C)C)cs2)c2ccccc2)cc1 1872768404 RPHNHPOPSFMRNS-ONQWYEKWSA-N 430.573 6.256 30 10 IKEE COc1ccc(OC)c(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(C(C)(C)C)cc3)n2)c1 1872771464 VGIXRDXQAHICBE-NBILRRPASA-N 446.572 6.014 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)Cc2cc(C)ccc2C)n1 1872777780 WAQRTQCEPIXXSN-OAQYLSRUSA-N 432.589 6.152 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)/C(=C\c3ccccc3)c3ccccc3)n2)cc1C 1872783432 ZRADSQRSEMASFD-HZRUTDPJSA-N 434.564 6.844 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)n2)cc1C 1872787663 OWBQSVGECMSZNI-MBNRZODZSA-N 433.489 5.233 30 10 IKEE CC(C)c1ccccc1O[C@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)s2)cs1 1872789606 OEBOAISZSARNMO-UKRRQHHQSA-N 430.982 6.292 30 10 IKEE Cc1nc(SCc2ccc(C(=O)Nc3cccc4ccccc34)cc2)c(C#N)c(C)c1C 1872895182 GMIPPDASRDQZAH-UHFFFAOYSA-N 437.568 6.576 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C(C)=O)cc2)=C(c2cccc(OC)c2)C1=O 1873218390 KRMYKXBEQWCOIZ-UHFFFAOYSA-N 448.563 5.450 30 10 IKEE C=CCN1CC(=O)C(c2nc3ccccc3s2)=C1NC(=O)C1CCC(CCCC)CC1 1873675970 YPEFPBRSNZIESI-UHFFFAOYSA-N 437.609 5.148 30 10 IKEE C=C(C)CSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccccc1OC 1874269738 LYPSQUCMZDCTJD-WGOQTCKBSA-N 428.561 5.581 30 10 IKEE Clc1ccccc1CCc1nnc(SCCc2ccccc2)n1/N=C/c1ccc[nH]1 1874279197 YTEYXNIGSGVDOS-YZSQISJMSA-N 435.984 5.262 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3F)n2/N=C/c2ccccc2)cc1C 1874330447 SNNHSPHYXJTXMR-OGLMXYFKSA-N 444.579 5.994 30 10 IKEE Clc1ccccc1CSc1nnc(CCc2cccs2)n1/N=C/c1cccnc1 1874371036 FLNKNXXTJMJMMR-ZVHZXABRSA-N 439.997 5.348 30 10 IKEE COc1ccc(/C=N/n2c(Cc3ccc(C)cc3)nnc2SCc2ccccc2C)cc1 1874387542 SEOJNLQWMNFTKE-WPWMEQJKSA-N 442.588 5.669 30 10 IKEE COc1cccc(/C=N/n2c(Cc3ccc(C)cc3)nnc2SCc2cccc(C)c2)c1 1874388604 UJGPCCVRVGZBFO-WPWMEQJKSA-N 442.588 5.669 30 10 IKEE Clc1ccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2cccnc2)cc1 1874408750 NZSUMXMEVLCUNB-MFKUBSTISA-N 425.989 5.624 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1/N=C/c1cccc(OC)c1OCC 1874476712 UWQIFKSIZWRCNW-MFKUBSTISA-N 442.560 5.342 30 10 IKEE CCSc1nnc(C(C)(C)C)n1/N=C/c1cccc(OC)c1OCc1cccc(C)c1 1874482719 ZVRFOWLXGXLKDL-MFKUBSTISA-N 438.597 5.466 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(C3CCC3)n2/N=C/c2ccccc2Cl)cc1 1874494402 KAPCXDARTIBFEP-WSDLNYQXSA-N 427.917 5.282 30 10 IKEE CCOc1c(Br)cc(Br)cc1/C=C/C(=O)c1ccc(F)cc1 1874583713 CDXBXRFZFHUDAA-VMPITWQZSA-N 428.095 5.646 30 10 IKEE CCOc1ccc(Br)cc1/C=C/C(=O)c1cc(Cl)cc(Cl)c1OC 1874586994 PKWOUKNTEORSLC-GQCTYLIASA-N 430.125 6.059 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1Cl 1874598933 MRJPFGDUJGEUSR-DHZHZOJOSA-N 443.326 6.486 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OCC(=O)Nc1cc(C)cc(C)c1 1874598940 NCAYSKVJSQPVBE-JXMROGBWSA-N 443.543 5.842 30 10 IKEE CCCOc1c(OC)ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1Br 1874601006 NWINJBBBCHGYEN-XBXARRHUSA-N 444.152 6.449 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(C)cc3)c(OCC)c2)cc1 1874607577 UVIXFQWBFKPPMG-NBVRZTHBSA-N 428.572 7.211 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Cl)c1OCCc1ccccc1 1874612245 KDHVWMMSVQDDRP-VAWYXSNFSA-N 441.354 6.910 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OCCc1ccccc1 1874637969 BLNXRAOUTKKYJK-YRNVUSSQSA-N 427.327 6.520 30 10 IKEE O=C(Cc1ccccc1F)Oc1cccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c1 1874693286 XNSXKFLDKNRPHA-QGOAFFKASA-N 436.482 6.537 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)CCc3cccc(OC)c3)c2)cc1 1874694633 NCNFPUQYULBBBJ-XNTDXEJSSA-N 444.527 5.701 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(-c4ccccc4)cc3)c2)cc1 1874697650 JCVCRFKKQMAVQE-VXLYETTFSA-N 434.491 6.478 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1OC(=O)c1cccs1 1874701797 AFKYHMIAUVPUSU-XBXARRHUSA-N 433.312 6.179 30 10 IKEE Cc1ccc(C)c(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C(C)C)cc3)c2)c1C 1874709851 LNSHSLAZVGUTPF-LFIBNONCSA-N 442.555 6.616 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cccc4ccccc34)c2)c(C)c1C 1874712250 RGZVJEAZFCWKKU-JQIJEIRASA-N 436.507 6.581 30 10 IKEE COc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc(OC)c(C)c3C)ccc2OC)cc1 1874712623 IPAFOZLOCWBXAN-AWNIVKPZSA-N 446.499 5.445 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2)c(OC)c1 1874714333 PVAQOAGKVXDBDY-KPKJPENVSA-N 447.443 5.036 30 10 IKEE Cc1cncc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4ccccc4c3)cc2Cl)c1 1875096409 MUBCDXMGHVWDHD-UXBLZVDNSA-N 427.887 6.312 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cccc4ccccc34)cc2)cc1C 1875107140 BXTZUZKOXXDLFR-FOWTUZBSSA-N 436.507 6.201 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccccc1C 1875115900 AJZJUNJREXTCOV-RIYZIHGNSA-N 431.444 5.417 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)c(F)c2)c(Cl)c1)c1ccc(Cl)cc1 1875125859 DWCIFWVFYRRLPX-XLUWADSXSA-N 433.237 6.387 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)C(c1ccccc1)c1ccccc1 1875129073 JQAVEHNJBAQMGA-HTXNQAPBSA-N 448.518 6.329 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)c1ccccc1OC 1875133888 KSQLOHDPVZFXPT-SDNWHVSQSA-N 430.500 5.826 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1)c1ccc(Cl)c(Cl)c1 1875135464 RBGVEALKQNLLCL-IZZDOVSWSA-N 431.702 6.762 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)c1ccncc1 1875156609 DBKRNUBERPWSND-KPKJPENVSA-N 441.527 6.057 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)cc1)c1ccc(F)c(F)c1 1875162104 WZRBEMRTTMKTOH-JTPPTGOJSA-N 438.857 6.223 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)cc(OC)c1OC(=O)CC 1875165880 FBXIPMDBVBBDKG-CMDGGOBGSA-N 449.330 5.951 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)c3ccccc3)c(Cl)c2)c(C)c1C 1875166824 GPGGNGYSZXUVDX-YFPIXMDGSA-N 448.946 6.571 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3c(C)cc(C)cc3C)cc2Cl)cc1 1875182492 GEUJDJQUGLNLBX-YRNVUSSQSA-N 448.946 6.318 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3)c(OC)c2)cc1C 1875191642 XBDYMWORPQRRPX-JLHYYAGUSA-N 444.527 5.755 30 10 IKEE CCCCCCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n1Cc1ccccc1 1875238308 SUQYDVVPWJARLJ-UHFFFAOYSA-N 444.579 5.096 30 10 IKEE CCC#CC[C@H](NCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875652268 ROARUBBWDXPIKG-LITSAYRRSA-N 443.587 5.660 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)[C@@H]1C(C)(C)C 1880431050 YTQZMTYJGQOTIS-DFBJGRDBSA-N 443.588 5.351 30 10 IKEE C#Cc1ccccc1NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1901520756 LOEZADCFGWAXOY-SANMLTNESA-N 438.527 5.170 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(C1)CC(C#N)(N(C(=O)OC(C)(C)C)c1ccc(F)cc1)C2 1917715113 IEWUJFXBGHXMBN-UHFFFAOYSA-N 445.535 5.251 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]12CCCC[C@@H]1CN(C(=O)OC(C)(C)C)C2 1922095297 SKVYCKGMVFOPHI-DXBVXKBHSA-N 442.644 5.555 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCCC2(CCC2)[C@@]1(C#N)N(CC1CC1)C(=O)OC(C)(C)C 1924834202 WJTXFECQWCYXRJ-DFBJGRDBSA-N 447.620 5.391 30 10 IKEE C#Cc1cccc([C@H](CCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 1951624770 RPHWZACHXRPXOD-VWLOTQADSA-N 425.484 5.113 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C)([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 2022136907 XBQPGAKJHTXWPY-MBSDFSHPSA-N 449.979 5.621 30 10 IKEE CC(C)(C)OC(=O)Nc1ccccc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2031834889 NVZBNCGALGPAFX-FQEVSTJZSA-N 441.503 6.179 30 10 IKEE COc1cc(C=C(C(=O)c2ccc(Cl)cc2)c2nc3ccccc3[nH]2)cc(OC)c1O 2040459263 RHECHUGVNDOIJO-UHFFFAOYSA-N 434.879 5.363 30 10 IKEE CCCN[C@H](CC#CC1CC1)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2041905563 JGURMOZGVVQRAN-SHQCIBLASA-N 440.628 5.002 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCCC)c2sccc2Br)C1 2062975944 XYGFNRWPUIKAAX-INIZCTEOSA-N 429.424 5.412 30 10 IKEE C[C@@H]1C[C@](C#N)([C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CO1 2071349395 OAHFVZQEBAROOG-JAMKYWPSSA-N 429.516 5.197 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@H](C#N)[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2073118317 JWOWFIJNATWRSL-VQIMIIECSA-N 447.551 5.495 30 10 IKEE CCc1nn([C@H](c2ccc(C)cc2F)C(C)(C)C)c(I)c1C#N 2079035276 BAKZTWJSVBKDKG-MRXNPFEDSA-N 425.289 5.005 30 10 IKEE Cc1ccc([C@@H](n2nc(C(F)(F)F)c(/C=N/O)c2Br)C2(C)CC2)c(C)c1 2079088383 BJDMKCBWEIISPY-MJGXDETHSA-N 430.268 5.479 30 10 IKEE CCc1nn([C@@H](c2c(C)cc(C)cc2C)C2(C)CC2)c(I)c1C#N 2079977574 OFVTUEJMTMLYHJ-SFHVURJKSA-N 433.337 5.237 30 10 IKEE CC[C@H](c1ccc(C2CCC2)cc1)n1nc(C(C)(C)C)c(C#N)c1I 2079979587 RMXHQBSGZDBQBU-GOSISDBHSA-N 447.364 5.924 30 10 IKEE CC(C)Oc1ccc([C@H](C2CCC2)n2nc(C(F)(F)F)c(C#N)c2Br)cc1 2080061330 MPBNAQWVINVFHB-INIZCTEOSA-N 442.279 5.713 30 10 IKEE CC(C)Oc1ccc([C@@H](C(C)C)n2nc(C(F)(F)F)c(C=NO)c2Br)cc1 2080064842 YCWVSCAMUPCWKB-OAHLLOKOSA-N 448.283 5.505 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2082161383 MRBSZOGLNZZZAH-XHNVNVPESA-N 443.588 5.712 30 10 IKEE Cc1ccc(C#N)c(Nc2cc(Br)c(Br)c(Br)c2)c1 2095446103 QKTMCSDDDWDGME-UHFFFAOYSA-N 444.952 5.898 30 10 IKEE CC1(C)OB(c2cccc(OCCN(Cc3ccccc3)C3CCCCC3)c2)OC1(C)C 2095912439 HVYZATMZHQYXKJ-UHFFFAOYSA-N 435.417 5.200 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)C1CC2(C1)CC2(F)F 2130895065 GMGXXWMCWTWSRD-KVIBHRHWSA-N 427.289 5.518 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 2133970218 VTHREUWWTCMRFV-RJESQKRESA-N 448.563 5.714 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCC[C@H]2Nc2cc(Br)cc(C#N)c2)CC1 2162398400 UUJINSBIIWHVIW-GOSISDBHSA-N 434.378 5.302 30 10 IKEE C[C@H](Nc1cc(Br)c(C#N)cc1F)[C@@H](NC(=O)OC(C)(C)C)c1ccco1 2172876502 GDBQVASJMXYJPO-APPDUMDISA-N 438.297 5.119 30 10 IKEE Cc1ccc(NC(=O)OC(C)(C)C)c(C(=O)Nc2ccc(C#N)cc2Br)c1 2181139001 IHZRDHJWLGSANZ-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE C=CCCCCC[C@H](O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2229103655 CVCILOLUIQKTQA-OALUTQOASA-N 426.395 5.382 30 10 IKEE C=CCCCCC[C@H](N)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229130819 SQWHFEDYHGRAAA-RBUKOAKNSA-N 425.411 5.349 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C 2235716684 GXIMMOGVFJOWST-RTBURBONSA-N 437.422 5.108 30 10 IKEE CC1CCC(CNC(=O)OC(C)(C)C)(C(=O)C#Cc2ccccc2Br)CC1 2235731076 WINLWSRQQFHSAB-UHFFFAOYSA-N 434.374 5.091 30 10 IKEE CC1(C)OB(c2ccccc2NC(=O)N(Cc2ccccc2)C2CCCCC2)OC1(C)C 2267637678 UTHRBIBQYHMKPS-UHFFFAOYSA-N 434.389 5.353 30 10 IKEE O[C@H](C#Cc1ccccc1Br)c1c(Cl)cc(Br)cc1Cl 2283303325 ZYLIAXHXAUGNGS-CQSZACIVSA-N 434.942 5.604 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)CC[C@H](CC)NC(=O)OC(C)(C)C 2296217200 RQZKVYCLPLNIPX-VQTJNVASSA-N 437.422 5.252 30 10 IKEE CCC[C@@]1([C@@H](O)C#Cc2cccc(Br)c2)CCCCN1C(=O)OC(C)(C)C 2296223540 AWCIOSOIFWKNRT-UGKGYDQZSA-N 436.390 5.121 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)C[C@@H](C)CCNC(=O)OC(C)(C)C 2296310611 LPXYIGYLDZCUID-PXNSSMCTSA-N 437.422 5.110 30 10 IKEE CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2299160671 BROVZKDRPLOYQI-QZTJIDSGSA-N 433.524 5.105 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2)SC(=Nc2cccnc2Cl)N1c1ccccc1 2314539913 DTSDFDIKYWQMEG-UHFFFAOYSA-N 426.328 6.197 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CC3)n2N=Cc2c(Cl)cccc2Cl)c1 2320858443 DIKDMUFGAFQGKU-UHFFFAOYSA-N 431.392 6.254 30 10 IKEE Sc1nnc(CCc2ccccc2)n1N=Cc1cccc(OCc2ccccc2Cl)c1 2321900087 SUOYJHXLHCTWTQ-UHFFFAOYSA-N 448.979 5.467 30 10 IKEE CCCCOCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1sccc1C)C3=O 2322145404 UMYLPBHDSIKVGK-UHFFFAOYSA-N 427.566 5.340 30 10 IKEE COc1ccc([C@H](C)N2COc3ccc4c(c3C2)OC(=Cc2cccs2)C4=O)cc1OC 2322260253 FLFKVRDJULXAHA-HNNXBMFYSA-N 449.528 5.295 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1cccc(Cl)c1)C3=O)CN(Cc1ccccc1F)CO2 2322350333 HBESIYPRNALQOS-UHFFFAOYSA-N 435.882 5.756 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(C(C)(C)C)cc1)C3=O)CN([C@@H]1CCCC[C@@H]1C)CO2 2322391842 VMXHXVSVYWLXHI-MHECFPHRSA-N 445.603 6.639 30 10 IKEE CCN(CC)CCN1COc2c(cc3c(c2C)OC(=Cc2ccc(C(C)C)cc2)C3=O)C1 2322408351 ZMAZRCAWRGVPDW-UHFFFAOYSA-N 434.580 5.228 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccco1)C3=O)CN([C@H](C)C13CC4CC(CC(C4)C1)C3)CO2 2322456049 ZQJHVGGJNRJNKN-LREROPASSA-N 445.559 5.961 30 10 IKEE CCc1ccc(NC(=O)COc2c(C=CC(=O)c3ccccc3OC)cccc2OC)cc1 2322485501 PISPPYTUINFPGU-UHFFFAOYSA-N 445.515 5.180 30 10 IKEE O=C(C=Cc1c(OCc2c(F)cccc2Cl)ccc2ccccc12)c1ccc(F)cc1 2322747991 WFAFGKOACQCAJN-UHFFFAOYSA-N 434.869 7.247 30 10 IKEE C=C(C)COc1ccc(Br)cc1C=CC(=O)c1cc(C(C)(C)C)ccc1OC 2322769157 RMIZNPMZDNEKTJ-UHFFFAOYSA-N 443.381 6.606 30 10 IKEE Cc1ccc(NN=Cc2cc(Br)c(OC(C)C)c(Br)c2)cc1C 2322922518 JYYIUDHCBYGDCU-UHFFFAOYSA-N 440.179 6.062 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2ccccc2OCc2ccccc2Cl)cc1Cl 2322969292 RGXOXWZITMHACE-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE CCCN(CCC)C(=O)COc1ccccc1C=CC(=O)c1ccc(OC)c2ccccc12 2323009127 URTNPIPTPGTGCC-UHFFFAOYSA-N 445.559 5.772 30 10 IKEE CCc1ccccc1NC(=O)COc1cccc(C=CC(=O)c2ccc(C(C)C)cc2)c1 2323212584 GIDLYXUCTGYHGC-UHFFFAOYSA-N 427.544 6.286 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3CC)c(Cl)c2)cc1 2323464937 IHHGBHXABHZYBE-UHFFFAOYSA-N 447.962 6.378 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc2c(c1)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2323485327 RCRIMVKMZZSAGN-UHFFFAOYSA-N 438.523 6.846 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 2323536931 HBBBZYCQPQJTIC-UHFFFAOYSA-N 439.382 7.811 30 10 IKEE COC(=O)c1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2)C3=O)cc1 2323608584 DJIUKUNMRCWDKI-UHFFFAOYSA-N 440.451 5.017 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)cc2)cc(OC)c1OCc1cc(C)ccc1C 2323648105 ZRHNTQRZVWMYES-UHFFFAOYSA-N 442.555 6.524 30 10 IKEE COc1ccc(OC)c(C=C2Oc3c(ccc(OC(=O)CCc4ccccc4)c3C)C2=O)c1 2323721207 WWJHSCCDUMUNEH-UHFFFAOYSA-N 444.483 5.167 30 10 IKEE Cc1cc(OC(=O)c2ccc(OC(C)C)cc2)cc2c1C(=O)C(=Cc1cccc(F)c1)O2 2323813497 SYPJOJQQNRBUCT-UHFFFAOYSA-N 432.447 5.757 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Cl)c1OCc1cccc(F)c1 2323858475 BWWATHOOEQQXHH-UHFFFAOYSA-N 438.926 6.970 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Br)c1OCCCO 2323959560 KUEBSEBETNWPMI-UHFFFAOYSA-N 433.342 5.122 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OCC(=O)NCc2ccccc2)c(Cl)c1 2323992307 CVUJFHCDYUVGHT-UHFFFAOYSA-N 449.934 5.248 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1F 2324110037 NYQNVQDZOXYMRP-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE Cc1cc(OCC(=O)OCc2ccccc2)cc2c1C(=O)C(=Cc1ccc(C(C)C)cc1)O2 2324234259 OVKSFUSPQWGWCH-UHFFFAOYSA-N 442.511 5.857 30 10 IKEE COc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O 2324465050 RLARVYSZNOZTRH-OAHLLOKOSA-N 449.890 5.371 30 10 IKEE Cc1ccc(OCCCCOc2ccc3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1 2324585201 WEFFEMMSSZYXJS-UHFFFAOYSA-N 442.555 6.973 30 10 IKEE COC(=O)c1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)cc1 2324825886 WGFAVFKATOWHBF-HXUWFJFHSA-N 446.528 5.112 30 10 IKEE COc1ccc(C=C2Oc3cc(OCCC(=O)Nc4ccc(C)cc4)cc(C)c3C2=O)cc1 2325227300 BFHQPLPROZMBER-UHFFFAOYSA-N 443.499 5.336 30 10 IKEE CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2cccc(C)c2)C3=O)cc1 2325424595 FKIYUPAEMIPUOY-GOSISDBHSA-N 441.483 5.220 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1OC(=O)c1ccccc1 2325708386 FYVICGNKZFREDY-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE Cc1cccc(NC(=O)COc2cc(C)c3c(c2)OC(=CC=Cc2ccccc2)C3=O)c1 2325727503 OISQUORZQORCRG-UHFFFAOYSA-N 425.484 5.493 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2)cc1OC(=O)Cc1ccc(Cl)c(Cl)c1 2325730861 GEVWUHLYJSEMCK-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE Cc1cc(C(=O)C=Cc2cccc(OC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)c2)ccc1F 2325742150 ODZVOWDDSDQWNB-YADHBBJMSA-N 434.894 6.393 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)Cc3ccccc3)c2)cc1C(C)C 2325754047 SMZWMIOUSZNXHI-UHFFFAOYSA-N 428.528 6.171 30 10 IKEE COc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c4ccccc34)c2)cc1 2325776215 WZCZOLJQAAJGKN-UHFFFAOYSA-N 438.479 5.972 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)Cc2ccccc2Cl)c1 2325781685 GIIFVYGTSMGNPW-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccccc1 2326072220 QHUFKUVTPPKYJP-UHFFFAOYSA-N 426.973 5.494 30 10 IKEE COc1cccc(C=Nn2c(C)nnc2SCc2ccccc2)c1OCc1ccccc1 2326211382 IGTQIQDHYKQLBS-UHFFFAOYSA-N 444.560 5.349 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(OC(C)=O)cc1 2326360420 BEQLTPOINXJCFG-UHFFFAOYSA-N 442.972 5.374 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc(OC(C)(C)C)cc1 2326698925 MILZVCFOOWDUNN-UHFFFAOYSA-N 449.407 6.245 30 10 IKEE C=CCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1cc(Cl)ccc1O 2327288880 ITNCMPLFQULSBM-UHFFFAOYSA-N 442.972 5.302 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccc(C)cc3)n2N=Cc2ccc[nH]2)cc1 2328562079 ZFDSFKPDCIJMNM-UHFFFAOYSA-N 431.565 5.079 30 10 IKEE Fc1ccc(C=Nn2c(Cc3ccccc3F)nnc2SCc2ccccc2)c(F)c1 2329741265 RWUYZPRPVMBYJZ-UHFFFAOYSA-N 438.478 5.461 30 10 IKEE Fc1cccc(CSc2nnc(-c3cccs3)n2N=Cc2ccc(F)cc2F)c1 2330556434 PHTFOTBYEIEUNO-UHFFFAOYSA-N 430.480 5.598 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(Cl)cc3)cc2)cc1OC 2330705856 MHMUIFNHKGSSKI-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cc(Cl)ccc1O 2330867460 UWJSPMNCOZVMNA-UHFFFAOYSA-N 449.407 6.054 30 10 IKEE CC(C)(C)Cc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1cccc(F)c1 2330881289 LSFJSMKQYMNNCJ-UHFFFAOYSA-N 434.943 5.973 30 10 IKEE C=C(C)CSc1nnc([C@H]2CCCO2)n1N=Cc1ccc(OCc2ccccc2)cc1 2330951952 CYQAMGQRCQFEDF-JOCHJYFZSA-N 434.565 5.259 30 10 IKEE C=C(C)CSc1nnc([C@H]2CCCO2)n1N=Cc1ccc(OCc2ccccc2C)cc1 2330952051 UZDAJTXMRJCSDV-HSZRJFAPSA-N 448.592 5.567 30 10 IKEE O=C(Cc1ccccc1F)Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1Cl 2331087259 ODBPAGFLJAAMGE-UHFFFAOYSA-N 430.809 5.802 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2Cl)c1 2331142885 KHVVQNWZVVICAX-UHFFFAOYSA-N 425.311 6.726 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2)c(Br)c1)c1ccc(Cl)cc1 2331145352 KOHBOPADEYZPOW-UHFFFAOYSA-N 441.708 6.218 30 10 IKEE COc1cccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C(F)(F)F)c1 2331162951 AFQUTGPBIQELPY-UHFFFAOYSA-N 444.841 5.273 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OC(=O)c1ccc(CC)cc1 2331174203 LPMJRBHSGXZTSI-UHFFFAOYSA-N 434.919 6.416 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)cc2)c(C)c1 2331215989 KQDPZFIGQCQASW-UHFFFAOYSA-N 425.311 6.726 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)Cc1ccccc1F 2331216396 KKQJWCFNSHTMAX-UHFFFAOYSA-N 448.490 5.504 30 10 IKEE COCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccccc1Cl 2331300500 LHQCEKAMMNQYOX-UHFFFAOYSA-N 436.968 5.448 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)c3ccccc3)c(Cl)c2)cc1 2331304046 JGBQAHNMBUFFNW-IBGZPJMESA-N 448.946 6.734 30 10 IKEE COc1cc(C=Nn2c(CC(C)C)nnc2SCc2ccc(C)cc2)cc(Cl)c1O 2331421582 ALHMPKVCEHTDPK-UHFFFAOYSA-N 444.988 5.327 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1 2331491678 CMQQMMNRPHXNMS-UHFFFAOYSA-N 428.528 6.253 30 10 IKEE O=C(O)c1ccccc1C=Nn1c(SCc2c(F)cccc2Cl)nnc1C1CCC1 2331547812 YWPNCWSTWYCVPR-UHFFFAOYSA-N 444.919 5.211 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)CC2CCCCC2)cc1 2331633299 FNMLUHVYCJFNLN-UHFFFAOYSA-N 447.358 6.774 30 10 IKEE CCCc1nnc(SCC)n1N=Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 2331645642 YIQGSWUULAIDFM-UHFFFAOYSA-N 444.988 5.466 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc(OC)c1OC(=O)C1CCCC1 2331670057 MKDIJZHOMPLFAK-UHFFFAOYSA-N 448.559 6.041 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OC 2331715290 GTSQRZKFVWYQFY-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE Cc1cc(COc2ccc(OCc3ccccc3)cc2)cc(B2OC(C)(C)C(C)(C)O2)c1 2343662350 OHQGQPPEFPSRJU-UHFFFAOYSA-N 430.353 5.452 30 10 IKEE CC1(C)OB(/C=C/c2ccc(N[C@H]3C[C@@H]4CC[C@H](C3)N4Cc3ccccc3)nc2)OC1(C)C 2365063731 DNVUSUWNBHHABK-RUUMVQDRSA-N 445.416 5.334 30 10 IKEE C=CCCCCCCCC(=O)[C@H](O)c1sc(Cl)cc1I 2366787502 UPBQEPXNZDNZEX-AWEZNQCLSA-N 426.747 5.525 30 10 IKEE COC(=O)[C@@H](Sc1nc(-c2cccs2)cc(-c2ccccc2)c1C#N)c1ccccc1 8451268 CWKQEQWNBPDTFO-QHCPKHFHSA-N 442.565 6.355 30 10 IKEE O=C(COc1ccc(Cl)cc1)/N=C1/c2ccccc2CN1c1cccc(C(F)(F)F)c1 12311476 BLTWDOOZLGRMNM-SLMZUGIISA-N 444.840 5.731 30 10 IKEE C=CCOc1ccc(NC(=O)c2ccc(OCCCCCC)c(Br)c2)cc1 14640609 WSAOZIADXZIAPD-UHFFFAOYSA-N 432.358 6.225 30 10 IKEE C[C@H]1CN(CN2C(=O)/C(=N\c3ccc4c(c3)oc3ccccc34)c3ccccc32)C[C@H](C)O1 16609497 ASMAXZXPVOCRLW-UPKOZJPVSA-N 439.515 5.120 30 10 IKEE CC(C)Oc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccnc2)cc1 20885041 BFJHTKQSUAGPAC-DCFHFQCYSA-N 425.532 5.848 30 10 IKEE CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)ccc1O 21221715 HAXLISFGNUJJOY-IVCQMTBJSA-N 432.545 5.832 30 10 IKEE Cc1ccc([C@@H]2C(/C=C\C(=O)c3ccccc3)=C(c3cccs3)Oc3ccccc32)cc1 33924531 SWUMXSRWWQVLQO-QPIKWOFCSA-N 434.560 7.431 30 10 IKEE C=C(C)C(=O)NCCCCCc1nc2ccccc2n1CCCCOc1ccc(CC)cc1 40219846 USTMOARSIWFVSA-UHFFFAOYSA-N 447.623 5.863 30 10 IKEE Oc1ccc2ccccc2c1/C=N/c1cc(C(F)(F)F)ccc1Oc1ccc(Cl)cc1 59462052 UJSKFBQSPZFEOM-IPPBACCNSA-N 441.836 7.761 30 10 IKEE N#Cc1cccc(Cn2c(Cc3cccc(Cl)c3)nc3sc4c(c3c2=O)CCCC4)c1 96532174 DJCNNWZZQFVZRE-UHFFFAOYSA-N 445.975 5.501 30 10 IKEE C/C(=N\OCc1ccc(C)cc1)c1cc(-c2ccc(F)cc2)n(-c2ccccc2F)c1C 97632277 YISYRLZZSUGDDM-NDZAJKAJSA-N 430.498 6.980 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)CC)c2)cc1 100286503 GCUFCCNXCAKKRN-UHFFFAOYSA-N 441.597 5.511 30 10 IKEE Cc1cc(C)c2nc(N3C(=O)C(=O)/C(=C(\O)c4ccco4)[C@H]3c3ccc(F)cc3)sc2c1 102503273 GXLJAAWPPLNJED-HWCXCKHPSA-N 448.475 5.272 30 10 IKEE CCCCCCOc1ccc(/N=C(C)\C(C)=N\c2ccc(OCCCCCC)cc2)cc1 103658198 LWEBAYLOXHIMSF-UEUMJKGWSA-N 436.640 8.490 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccc(C)c(C)c2)cc1 169924225 LDLLPNRSOXHQJO-XMMPIXPASA-N 445.490 5.542 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2ccccc2C)cc1 169926364 JPGIFFGBVDHJRL-DEOSSOPVSA-N 438.483 5.268 30 10 IKEE CCCOc1ccc([C@@H]2NC(=S)N(CC)C(C)=C2C(=O)c2ccccc2)cc1OCC 169931750 WZRGCTQJZZBJFH-QHCPKHFHSA-N 438.593 5.282 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1Cc1cccs1 169939584 RQEDHNXRFPVNGG-QFIPXVFZSA-N 445.496 5.281 30 10 IKEE COc1ccc(-c2csc(N/N=C\c3cc(Cl)c(OC)c(Cl)c3)n2)cc1OC 169941685 NCCCWROZBMPFTH-AFPJDJCSSA-N 438.336 5.589 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccc(O)cc2)cc1C 169960662 XWZUAIWRJPOXHC-XMMPIXPASA-N 443.499 5.109 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2cccc(C)c2)cc1C 169970613 ICDLLOZNHSNRAW-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2CCC)cc1 169975877 MIJQJORISMEMCL-QHCPKHFHSA-N 437.536 5.253 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2ccccc2C)cc1 170030042 DXEQKKLINLTEGJ-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(O)c(Cl)c2)cc1 170042165 ICAGUTXRRMSOQK-OAQYLSRUSA-N 425.912 5.265 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)s1 170058013 NNIKCNUOAAIFFW-SFHVURJKSA-N 442.899 5.335 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1Cc1ccco1 170123523 GYVZNNUGDGXIRY-DEOSSOPVSA-N 439.467 5.220 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1ccccc1OC 170125822 OVSAINOTZWFGHQ-JOCHJYFZSA-N 449.503 5.219 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@@H]1c1ccc(O)cc1 170136905 PMFYPNDGMKJWOS-FQEVSTJZSA-N 448.544 5.203 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc(C)c2)cc1C(C)C 170145349 FQHXIBKYZUOOAP-RUZDIDTESA-N 447.575 6.038 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccn2)cc1C 170168169 CPPAPCALBCRCSX-JOCHJYFZSA-N 448.544 5.019 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@H]1c1cccnc1 170185059 BRYHBYHWUOSHOO-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1cccnc1)c1ccc2ccccc2c1 170197541 SBOFWFMYLIRAMI-DEOSSOPVSA-N 438.458 5.152 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccccc1)c1ccc(Cl)c(Cl)c1 170222775 RUUQOUIPVRIGKC-FQEVSTJZSA-N 442.273 5.915 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccccc1)c1ccc2ccccc2c1 170223184 DQARSYFZQYMGJC-DEOSSOPVSA-N 441.433 5.901 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccc2)cc1C 170234446 SSNONOZQALNMCH-DEOSSOPVSA-N 445.490 5.230 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2C2CCCC2)cc1 170246326 UZOOTBQZXIBBDP-VWLOTQADSA-N 445.559 5.656 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCCC)[C@@H]2c2ccc(C)o2)cc1 170309986 DNQUEYDPXVYYMP-HSZRJFAPSA-N 439.552 5.926 30 10 IKEE CCc1ccccc1N=C1S/C(=C\c2ccccc2F)C(=O)N1c1ccccc1CC 252603480 FSAUDCMJXZUFGS-AIMMPNMZSA-N 430.548 6.759 30 10 IKEE Cc1cc(C)c(N=C2[C@H](N3CCCC3)C3(CCCCC3)C(=S)N2c2ccccc2)c(C)c1 254578161 ORWPOPVZDZXYQY-VWLOTQADSA-N 445.676 6.904 30 10 IKEE Cc1cc(C=Nc2ccc(C(c3ccc(C)o3)c3ccc(C)o3)cc2)c(O)c([N+](=O)[O-])c1 254704772 FMOYYAATLFAYGD-UHFFFAOYSA-N 430.460 6.342 30 10 IKEE C=C(CC[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]12C 256430427 HKRMRIDUAZDXGO-MNZNUYRUSA-N 440.712 7.754 30 10 IKEE biogenic COc1cc(C=Nc2sc3c(c2C#N)CCCC3)c([N+](=O)[O-])cc1OCc1ccccc1 263628318 DXHBLDVHKADGMV-UHFFFAOYSA-N 447.516 5.745 30 10 IKEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(Cl)cccc1Br 407517377 MNCHJFDUSSQJKT-DOTOQJQBSA-N 429.786 5.060 30 10 IKEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(Cl)cccc1Br 407517381 MNCHJFDUSSQJKT-RDJZCZTQSA-N 429.786 5.060 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Br)ccc1C)NCCC 407716374 SVPXJLDKQBVOQK-PMACEKPBSA-N 439.438 5.528 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccc(Cl)c2)c(OC)c1 526522237 QIGZBINWAHDXBY-HSZRJFAPSA-N 446.890 5.286 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2ccc(F)cc2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 526606633 HTYKDYUCJZKFAL-NRFANRHFSA-N 449.825 5.316 30 10 IKEE CC(C)Oc1ccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526607014 LSSLREAFBWHIRU-XMMPIXPASA-N 428.463 5.542 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1c(Cl)cccc1Cl 526816378 FOHIGKAHJAWQNW-KSEXSDGBSA-N 439.799 6.365 30 10 IKEE CCOc1ccccc1/C=N\n1c(CC)nnc1SCc1ccc(Br)cc1 526820699 CDOQYAVXLSAMKV-XKZIYDEJSA-N 445.386 5.176 30 10 IKEE Cc1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(OC(C)C)cc2)c(F)c1 586255683 BUDGXJJRRDDIFN-UHFFFAOYSA-N 438.524 5.189 30 10 IKEE CCc1ccccc1N(C(=O)c1cccc(C#N)c1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586295177 PBDKOULFLKBNOI-UHFFFAOYSA-N 446.572 5.454 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccc(Br)cc1F 698484614 IIPUNSLNWORHQO-KRWDZBQOSA-N 435.293 5.603 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698878523 ZBCAFADSLLKPKL-NTKDMRAZSA-N 435.609 5.628 30 10 IKEE COC1(OC)CCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 704576039 VFXIKFLYFNOIAP-LJQANCHMSA-N 439.350 5.016 30 10 IKEE C=CCC1([C@@H](Cc2ccc(Br)cc2)NCCC)CN(C(=O)OC(C)(C)C)C1 722910141 OZESEAIFIIVOIY-LJQANCHMSA-N 437.422 5.173 30 10 IKEE C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(OC)cc2)[n+]2ccc(CCC)cc2)c1 726572439 FIJZVEVJDSNAMO-UHFFFAOYSA-O 429.565 5.240 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1 920143457 PXMNVBCWCBEHLS-BLLLJJGKSA-N 447.343 5.769 30 10 IKEE CN(Cc1ccccc1)S(=O)(=O)c1ccc(N=Cc2cc(Cl)cc(Cl)c2O)cc1 1084527926 OPSOPKZRXLVMGK-UHFFFAOYSA-N 449.359 5.270 30 10 IKEE C=CCN1C(=O)/C(=C/c2c[nH]nc2-c2ccccc2)SC1=Nc1cccc2ccccc12 1772724472 VYMUYBLJFBERLX-BMBZWDQTSA-N 436.540 6.020 30 10 IKEE COc1ccccc1/C=C1\SC(=Nc2cccc(C(=O)O)c2)N(c2ccccc2)C1=O 1772738394 VKGPAIFIZLMBDP-AQAUNXFGSA-N 430.485 5.202 30 10 IKEE N#CCc1ncc(-c2ccccc2OC(F)(F)F)cc1-c1ccccc1OC(F)(F)F 1848361680 DGFRPWHSLBUBGB-UHFFFAOYSA-N 438.327 6.279 30 10 IKEE CCCCCCCCCOc1ccc(NC(=O)c2ccc(CS(C)(=O)=O)cc2)cc1 1860160024 HZURYBBALKHBJK-UHFFFAOYSA-N 431.598 5.613 30 10 IKEE O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(c1cc(F)ccc1F)C1CCCC1 1860396322 ULCPILJPUZGAJS-UHFFFAOYSA-N 437.330 6.592 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2cccc(Cl)c2)cc1 1862392158 QTTNPZZRMGJDAU-HSZRJFAPSA-N 439.983 6.307 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(Cl)c(Cl)c1 1862406467 QJHAPWZIYOPZQH-ZUOKHONESA-N 448.346 5.687 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@H]2c2ccccc2C)cc1 1862412200 YSXGXRDCJKCESO-HSZRJFAPSA-N 449.453 5.060 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)c1 1862444536 AJMXZCQAUVUYPP-QMHKHESXSA-N 447.918 5.688 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc2ccccc12 1862450095 ZSCYDRYMAIIRKN-QHCPKHFHSA-N 449.934 5.497 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(F)cc1 1862457216 LBQPXDFZZLUJCG-FQEVSTJZSA-N 435.417 5.402 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1F)c1c(F)cc(F)cc1F 1862457363 NUSXUKODGDHWRH-HXUWFJFHSA-N 433.401 5.154 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1cccc2ccccc12 1862471708 SFXCKLCLZKGHAU-FQEVSTJZSA-N 436.305 5.201 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc(OCC)c1 1862478482 IDRMBKSBASAGMK-RDGATRHJSA-N 449.591 6.331 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862487035 QWPCMNHOEPLDBQ-XMMPIXPASA-N 429.491 5.529 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(Br)cc1 1862487730 IBFIAKBRVVQUPP-AUUYWEPGSA-N 428.326 5.134 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 1862521603 MFJDVDGJLBJCTH-HXUWFJFHSA-N 445.437 5.259 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(CC)CC)[C@@H]2c2ccc(CC)cc2)cc1 1862529534 HLFDMAFKNWPIPI-RUZDIDTESA-N 448.607 5.122 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@@H]2c2ccccc2F)cc1 1862529645 ISWPOUGSOGBQIL-HSZRJFAPSA-N 449.909 5.820 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2C(C)C)cc1OCC 1862541303 IPSHYHHLNXYEQO-QHCPKHFHSA-N 437.536 5.033 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(OC)c1 1862581333 FBTFTGBRWFRXTC-BUXKBTBVSA-N 434.319 5.379 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(N(C)C)cc1 1862583209 VQNYUTIRBNODCG-RNODOKPDSA-N 447.362 5.436 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccc(C)cc2)cc1 1862672967 IMWJLLFDRRWMIM-XMMPIXPASA-N 429.491 5.475 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 1862688402 WAJIXLKJGXDKPA-WAIKUNEKSA-N 431.463 5.174 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862690809 FNTGERJABJKDHJ-XTZPKPCCSA-N 444.531 5.334 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(F)cc2)C1=O 1862752924 OKUYBZIFQLEQIJ-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Nc3ccccc3)cc2)=C(c2c[nH]c3ccccc23)C1=O 1863494257 IPAMATPQXMVCIN-UHFFFAOYSA-N 434.499 5.290 30 10 IKEE CCCCCCCCNC1=C(c2ccc(Cl)cc2)C(=O)N(CCCOCCCC)C1=O 1863536710 MQFGHNSBEVMBBU-UHFFFAOYSA-N 449.035 5.577 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(C)c(C)c2)C(=O)N(Cc2ccncc2)C1=O 1863602748 QAFSNULBRBDZAA-UHFFFAOYSA-N 447.623 5.709 30 10 IKEE Cc1ccc(-c2nc(Nc3cccc(C#N)c3)cc(N3CCO[C@@H](c4ccccc4)C3)n2)cc1 1868312970 SVQMBJXYDFHDKW-RUZDIDTESA-N 447.542 5.645 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3nc[nH]c3[C@@H]2C(C)C)nc(-c2ccc(Cl)cc2)n1 1869268181 OAPUTGCOQVGKKV-DEOSSOPVSA-N 449.002 5.458 30 10 IKEE CCCCCCCCn1cc(OCc2c(C)noc2C)c(=O)cc1CN1CCCCC1 1870565512 LPIXJZJEFXKOHS-UHFFFAOYSA-N 429.605 5.379 30 10 IKEE C=CCn1cc(OCc2ccc(OC)c(F)c2)c(=O)cc1CNc1ccc(C)c(Cl)c1 1870806453 KFBUNFBQJHYYNY-UHFFFAOYSA-N 442.918 5.335 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2C)c(=O)cc1CNc1cccc(C)c1 1871078420 MEIRECSYUXQUSM-UHFFFAOYSA-N 446.635 7.017 30 10 IKEE C=CCn1cc(OCCc2ccccc2)c(=O)cc1CNc1ccc(OC(F)(F)F)cc1 1871141416 RWWRCBRAYOKFIO-UHFFFAOYSA-N 444.453 5.167 30 10 IKEE C=CCn1cc(OCc2ccc(C)cc2)c(=O)cc1CNc1cccc(C(F)(F)F)c1 1871205127 CPEIVUFMZXCCDV-UHFFFAOYSA-N 428.454 5.553 30 10 IKEE CCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(N(C)C)cc1 1871254344 SIHZLQOWPVJACZ-UHFFFAOYSA-N 444.579 5.167 30 10 IKEE CCCCCCCCN=c1nc2c(cnn2C)c(Nc2ccc(Oc3ccccc3)cc2)[nH]1 1871295154 IGFSFLJFTLYOOZ-UHFFFAOYSA-N 444.583 6.094 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccco1)O3)CN(Cc1ccccc1OC(C)(C)C)CO2 1871344610 AJMFXGFPLWLDJK-QRVIBDJDSA-N 445.515 5.734 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2OCC)C3=O)CC1 1871383233 KZOLZAIWPRZEHQ-ONUIUJJFSA-N 448.559 6.604 30 10 IKEE CCCCCCCCCCOC(=O)COc1ccc2c(c1C)O/C(=C\c1ccco1)C2=O 1871427082 MPAPBEIPSKOFHV-QJOMJCCJSA-N 440.536 6.267 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCCC(=O)Nc3ccc(C)cc3)ccc2C1=O 1871430856 HGZONIXVUGGAFE-XYGWBWBKSA-N 443.499 5.418 30 10 IKEE C=CCN([C@@H](CC(C)C)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1ccccc1 1872212414 ADXYKOVQCBQIBK-QHCPKHFHSA-N 442.625 5.214 30 10 IKEE C=CCN([C@H](CC(C)C)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(Cl)cc1 1872504010 GHFOYMURHWVGLP-JOCHJYFZSA-N 449.016 5.187 30 10 IKEE N#C[C@@H](C(=O)c1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872759791 ZTWBVNSJOXFPLK-IBGZPJMESA-N 449.362 7.274 30 10 IKEE Cc1ccc(C)c(-c2csc([C@@H](C#N)C(=O)COc3ccc(C)cc3C(C)(C)C)n2)c1 1872772927 UJNINSJRUHMLII-FQEVSTJZSA-N 432.589 6.288 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@@H](C#N)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 1872781128 PGCQNDSZFZPSTG-HNNXBMFYSA-N 441.896 5.487 30 10 IKEE COc1cc(-c2csc([C@@H](C#N)C(=O)Cc3ccccc3Cl)n2)c(OC)cc1Cl 1872783438 ZUSXXZHQQHHFKT-AWEZNQCLSA-N 447.343 5.553 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4nc(C)c(C)nc4c3)n2)cc1Cl 1872789897 YEALOLCMRJIZIG-MRXNPFEDSA-N 448.935 5.522 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C)c2)=C(c2cc(F)cc(F)c2)C1=O 1873317893 FEBIWQSVPFPFMD-UHFFFAOYSA-N 426.507 5.826 30 10 IKEE CCCCCOc1ccc(/C=N/Nc2oc(Cc3cccc4ccccc34)nc2C#N)cc1 1873464100 XLOOPQZJTHFQGP-VUTHCHCSSA-N 438.531 6.305 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc(OCC)cc1 1874283025 LWMOEFBYWNBPDH-MFKUBSTISA-N 441.000 5.666 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2/N=C/c2ccc(O)c(OCC)c2)CC1 1874287549 KTUFZOKLXFQTEC-KOEQRZSOSA-N 444.645 6.231 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1ccc(OCC)cc1 1874330007 KBXJMZZOIQDUNI-WGOQTCKBSA-N 434.609 5.629 30 10 IKEE Cc1ccc(/C=N/n2c(Cc3ccc(C)c(C)c3)nnc2SCc2ccccc2C)cc1 1874357357 CGJJUPHGHINLJB-OGLMXYFKSA-N 440.616 6.277 30 10 IKEE Clc1cccc(CSc2nnc(-c3ccccc3Cl)n2/N=C/c2ccco2)c1 1874368347 WEVFWDWDTLRBSS-FSJBWODESA-N 429.332 6.019 30 10 IKEE Cc1cccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCCc2ccccc2)c1 1874380814 MDVHHQFDFDPRKC-OVVQPSECSA-N 430.552 5.533 30 10 IKEE COc1cccc(/C=N/n2c(COc3ccccc3)nnc2SCc2ccc(C)cc2)c1 1874382254 GSOFAOBADRQGAS-WGOQTCKBSA-N 444.560 5.349 30 10 IKEE Cc1cccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccccc2C)c1 1874396992 VCMSDJDBOPWMFH-OVVQPSECSA-N 426.589 5.855 30 10 IKEE COc1cccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2cccc(F)c2)c1 1874406994 ZWMDEGHFQSFQDV-WGOQTCKBSA-N 438.572 5.723 30 10 IKEE C(=N/n1c(Cc2cccs2)nnc1SCc1cccc2ccccc12)\c1ccccn1 1874413835 NEGDLPGJWGEFRA-WGOQTCKBSA-N 441.585 5.653 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccccc2)n1/N=C/c1ccc(N(C)C)cc1 1874416583 XUNXSUOQAWXTDF-OVVQPSECSA-N 441.604 5.418 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCc3ccccc3)nnc2[C@@H]2CCCO2)cc1 1874445461 FNQDVXPXCPQBDK-ALAMRGAJSA-N 436.581 5.483 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2cccc3ccccc23)nnc1C(F)(F)F 1874461816 BWJYXRHVWGJVJC-LGJNPRDNSA-N 442.466 5.633 30 10 IKEE Clc1cccc(CSc2nnc(-c3ccco3)n2/N=C/c2cccc3ccccc23)c1 1874468615 QPZDPQJPZLYAAA-CVKSISIWSA-N 444.947 6.519 30 10 IKEE Cc1ccc(/C=N/n2c(CC(C)C)nnc2SCC(=O)Nc2ccc(C)c(C)c2)cc1 1874489030 WSPPGTOARDMNDC-AFUMVMLFSA-N 435.597 5.015 30 10 IKEE CCCOc1ccc(/C=N/n2c(COC)nnc2SCc2c(F)cccc2Cl)cc1 1874505702 UQUIJAHZQZGOQA-WYMPLXKRSA-N 448.951 5.180 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(C)cc1C 1874579081 VQFIIGZRXJIXDL-CCEZHUSRSA-N 443.587 6.380 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccccc2OCC(=O)Nc2c(C)cccc2C)cc1C 1874590828 KLNBYHFBYBDEAQ-BUHFOSPRSA-N 443.543 5.842 30 10 IKEE C[C@@H](NC(=O)COc1cccc(/C=C/C(=O)c2cccc3ccccc23)c1)c1ccccc1 1874597343 GZGXEENRELIIOM-RURFIKTLSA-N 435.523 5.992 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)c(OC)c1 1874599121 WEUOKQVUPYRVKI-YRNVUSSQSA-N 443.326 6.486 30 10 IKEE CCCOC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(C)cc2C)cc1OCC 1874617568 IJPALOGDHRRUDY-CSKARUKUSA-N 430.928 5.584 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OC(=O)Cc1ccccc1Cl 1874697848 CUOFLYKAOBNPSN-ACCUITESSA-N 436.891 5.401 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1OC(=O)c1ccc(N(C)C)cc1 1874699852 PXXTYBIKCLWLSF-UUILKARUSA-N 437.442 5.155 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cc(OC)cc(OC)c3)c2)cc1 1874701168 FNNHXMULBJNTTB-MDWZMJQESA-N 432.472 5.218 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(Cl)c1OC(=O)C1CCCC1 1875100372 CGBHQKQZQWZWFL-SDNWHVSQSA-N 426.940 6.293 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)CC(C)(C)C)c(OC)c2)cc1 1875105649 GAXAMZUXYSPTTJ-SDNWHVSQSA-N 442.983 6.929 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc(OC)c1OC(=O)C(F)(F)F 1875109499 QKMKJUCMEHZYRO-VQHVLOKHSA-N 434.410 5.105 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1cccc(Cl)c1 1875118052 NTYYKGYWFIEHRD-VZUCSPMQSA-N 437.835 5.372 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2Cl)cc1 1875131672 JIIIMYCXZXJIEL-KPKJPENVSA-N 434.919 6.010 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1sccc1C 1875151549 PVXQJARLUDKUCR-QPJJXVBHSA-N 436.485 5.299 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OC(=O)CCCSC 1875154562 LCKDFIMCKGJLKF-FYWRMAATSA-N 434.557 6.183 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2cccs2)c(Cl)c1 1875170667 KEQJXEZFTGHFFG-SOFGYWHQSA-N 440.948 6.071 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)CSc3ccccc3)cc2)cc1C 1875187350 ZSQNIUBUNKDIJX-SDNWHVSQSA-N 432.541 5.906 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)C1CCN(c2oc(-c3cccs3)nc2C#N)CC1 1890477097 YEGXBTSQBAKJAQ-UHFFFAOYSA-N 426.929 5.092 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](O)c1ccc(Br)c(Cl)c1 1922067419 BFGWAQMXVUGHRH-NHCUHLMSSA-N 438.793 5.277 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@@H](CNC(=O)OC(C)(C)C)CC(C)C)NCCC 1922072850 YJKCTMPNKOCJLY-ZEQRLZLVSA-N 432.649 5.705 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@]1(C#N)CCCC[C@H]1OCc1ccccc1 1977479038 FYBBBPIECOFECD-ZJSXRUAMSA-N 426.582 5.907 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]1(CC)CCCCN1C(=O)OC(C)(C)C 2007550088 HFULMLPSFICTSP-ZEQKJWHPSA-N 430.633 5.697 30 10 IKEE C=CCCCCCCCC[C@H](O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2026312145 FWBPVIPQXUJBBB-RPWUZVMVSA-N 433.633 6.154 30 10 IKEE CCCCN1C(=O)C(=Cc2ccc(Br)cc2)SC1=Nc1ccc(OC)cc1 2053624183 BNEQDWCHNPCVRI-UHFFFAOYSA-N 445.382 5.862 30 10 IKEE CCCN[C@]1(C#N)CCC[C@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)[C@H]1C 2055575944 ZVXCTENUPSKZDP-KGPYPHOUSA-N 432.656 5.071 30 10 IKEE CCOc1ccc([C@@H](C2CCC2)n2nc(C3(C)CC3)c(C=NO)c2Br)cc1 2080104696 HEPBDGGITIBQKF-GOSISDBHSA-N 432.362 5.293 30 10 IKEE C=C(C)CN(Cc1ccccc1)c1c(CNC(C)(C)C)ccc(Br)c1Cl 2098111299 SRSPJWIBXXZCNB-UHFFFAOYSA-N 435.837 6.573 30 10 IKEE CC(C)(C)OC(=O)N1CCCCC[C@@H]1CNc1cc(Br)c(C#N)cc1F 2105986056 SROIXOHBEIJOQJ-CQSZACIVSA-N 426.330 5.051 30 10 IKEE C=C1CCC(C[C@@H](NC)c2ccc(Br)cc2I)CC1 2142288723 ULSLPNIIEVGHDR-MRXNPFEDSA-N 434.159 5.451 30 10 IKEE C[C@@H](c1cc(Br)cs1)N(C)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2186595472 RGUHTKFTFSDKTH-AWEZNQCLSA-N 436.224 5.003 30 10 IKEE Cc1c(Cl)cc(CN2CC[C@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)cc1Br 2194166165 CHGCTSWUIDEYKF-MGPUTAFESA-N 440.618 5.469 30 10 IKEE C=CC[C@H](C)[C@@H](NCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229136710 QUEIUIDHECNXNR-KFKAGJAMSA-N 425.411 5.075 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)CCN(C(=O)OC(C)(C)C)C(C)(C)C 2235731894 YKYXNKBCMOOGTC-GOSISDBHSA-N 437.422 5.204 30 10 IKEE CCCCCCCC[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2240625004 DWBIDPXPBNSJDU-JOCHJYFZSA-N 437.422 7.223 30 10 IKEE C#CC(CC)(CC)NC(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2243918810 LSWMXCIYWXVOCV-RUZDIDTESA-N 446.591 5.248 30 10 IKEE CCN[C@@]1(C#N)CCCC[C@@H]1CCN(CCN(C)Cc1ccccc1)Cc1ccccc1 2260361072 DQJDJICILUYOCV-VSGBNLITSA-N 432.656 5.073 30 10 IKEE C[C@@](O)(c1cc(Br)c(Br)s1)[C@]1(C#N)CCCC(F)(F)C1 2281187364 AANCMLPKSOAMQJ-VXGBXAGGSA-N 429.124 5.200 30 10 IKEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNc2c(Br)cccc2C#N)cc1 2285237647 JRKBUXHCMWOFCW-CQSZACIVSA-N 430.346 5.519 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CCC[C@H](C1)[C@@H]2Nc1ccc(Br)c(C#N)c1 2285787132 DWWPFMGVVRWUIZ-ULZXJZRSSA-N 434.378 5.205 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OCc3ccc(Br)cc3)ccc2C1=O 2296868018 OLHOLJWABGMOOB-UHFFFAOYSA-N 427.319 6.014 30 10 IKEE O=C1NC(=Nc2ccccc2Cl)SC1=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 2297453316 CAUZOPUGFBYSMU-UHFFFAOYSA-N 425.853 5.400 30 10 IKEE O=C1C(=Cc2cc(Cl)ccc2O)SC(=NCc2ccccc2)N1Cc1ccccc1 2297533241 SBCWKDXILIQATI-UHFFFAOYSA-N 434.948 5.718 30 10 IKEE CC1(C)OB([C@@]2(C)CCN(C(=O)c3cscc3OCc3ccccc3)C2)OC1(C)C 2303111643 LEYNTSJBTCDHKR-QHCPKHFHSA-N 427.375 5.026 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CC[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C)NCC 2303835914 FAYVSOIVBAZQAM-ZLNRFVROSA-N 430.633 5.457 30 10 IKEE C=CCOc1ccccc1C=C1SC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O 2314538215 AJJZNIQKUAXVHW-UHFFFAOYSA-N 439.842 6.165 30 10 IKEE CCCCCCCCCCCn1c(CCNC(=O)C=Cc2ccccc2)nc2ccccc21 2314609628 TWHKSGYKKOILOH-UHFFFAOYSA-N 445.651 6.939 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2)SC(=NN=Cc2ccccc2O)N1Cc1ccco1 2314818173 BGERQYADOWALHU-UHFFFAOYSA-N 437.908 5.145 30 10 IKEE Cc1ccccc1COc1ccc(C=Nn2c(C)nnc2SCc2ccccc2C)cc1 2321088276 LFILWQTUXVZDAO-UHFFFAOYSA-N 442.588 5.957 30 10 IKEE CC(C)(C)c1nnc(S)n1N=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2321908554 HWHVMAOFCBAUIP-UHFFFAOYSA-N 435.380 5.632 30 10 IKEE COc1ccc(CN2COc3cc(C)c4c(c3C2)OC(=Cc2ccccc2C)C4=O)cc1 2321955296 FFMCXTWZTIGVDS-UHFFFAOYSA-N 427.500 5.280 30 10 IKEE CCOC(=O)c1ccc(COc2ccccc2C=CC(=O)c2ccc(Cl)cc2Cl)o1 2322379277 FMHFBNSXUUYKNV-UHFFFAOYSA-N 445.298 6.238 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1 2322638358 YXXRMGBXRUFQLI-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE O=C(C=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCO2 2322687744 GZPWJXZFBUEQFP-UHFFFAOYSA-N 427.283 6.197 30 10 IKEE Cc1ccc(COc2ccc(Br)cc2C=CC(=O)c2ccc(C(C)C)cc2)cc1 2322732919 RFWIGPMFGUCVSK-UHFFFAOYSA-N 449.388 7.356 30 10 IKEE COc1cc(C(=O)C=Cc2c(OCCCO)ccc3ccccc23)c(OC)cc1Cl 2322872263 WLNUWFZVKBOWPD-UHFFFAOYSA-N 426.896 5.168 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1OCC(=O)NC1CCCCC1 2323049383 HZMCLDRGIMQKCZ-UHFFFAOYSA-N 447.575 5.298 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2Cl)cc1OCc1ccc(Cl)c(Cl)c1 2323087229 YKCOGHUPOVHNOX-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE CCOc1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2sccc2C)C3=O)cc1 2323512416 NXNBOILSFWLSBG-UHFFFAOYSA-N 446.524 5.999 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4ccc(-n5cccc5)cc4)cc(C)c3C2=O)o1 2323676510 CFHKRQUCBCCQHP-UHFFFAOYSA-N 425.440 5.523 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(OC)c2)C3=O)c1 2323839125 KYGFUAFICCZITD-UHFFFAOYSA-N 444.483 5.628 30 10 IKEE CCCCCCCCCOc1ccc(C=NNc2nc(C)c(C(C)=O)s2)cc1OC 2323865139 LWCQBTNZPDSZMU-UHFFFAOYSA-N 431.602 6.238 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cc(C)cc(C)c3)c([N+](=O)[O-])c2)cc1 2323900735 JHHTWULDERBJMH-UHFFFAOYSA-N 444.487 5.434 30 10 IKEE COC(=O)COc1ccc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)cc1Cl 2324325152 VECMOXRNBMAMPF-UHFFFAOYSA-N 429.683 5.103 30 10 IKEE Cc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)OC(=CC=Cc1ccccc1)C2=O 2324416495 CIXCTKRCUANHAV-HXUWFJFHSA-N 439.511 5.882 30 10 IKEE N#C[C@H](C(=O)C(=Cc1ccccc1)c1ccccc1)c1nc(-c2cccc(Cl)c2)cs1 2324475068 MQBAEHGGPRKQCM-HSZRJFAPSA-N 440.955 6.881 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3cccc(Cl)c3)c(OC)c2)c(OC)c1 2324478091 QMEZADPQVCYNOV-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE N#C[C@H](C(=O)C=Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(Cl)cc2)cs1 2324490794 OVOXSGKTXLBRMU-OAHLLOKOSA-N 433.747 6.660 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc(OC)c1OCCC 2324599254 CXDJNNKMYFQQRI-UHFFFAOYSA-N 435.347 6.424 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(Cl)cc3Cl)n2)cc1F 2324628250 WFVCOGZMTKUJDG-HNNXBMFYSA-N 447.318 6.154 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c(OC)c1OC 2324718623 GXBXGQHEHASBMG-UHFFFAOYSA-N 449.459 5.096 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)C=Cc3cccc([N+](=O)[O-])c3)n2)cc1C 2324825621 TWCNCHTXGNUQRX-LJQANCHMSA-N 433.489 5.233 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@@H](C#N)C(=O)C=Cc2ccc([N+](=O)[O-])cc2)n1 2324851102 KIAKTVYCGCFPDN-KRWDZBQOSA-N 439.880 5.270 30 10 IKEE CCOc1ccccc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccccc1C)C2=O 2324900398 YFJBVEAWGDHZIO-UHFFFAOYSA-N 443.499 5.336 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)c(Cl)c1 2325294399 KFFOXFBJOQIDCP-UHFFFAOYSA-N 445.902 5.838 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(ccc(OCCc4ccc(C)cc4)c3C)C2=O)cc1 2325372681 JLXVCDXQNQNGIC-UHFFFAOYSA-N 441.571 6.387 30 10 IKEE Cc1ccsc1C=Nn1c(Cc2ccccc2)nnc1SCc1ccc(Cl)cc1 2325493252 YYGYDKMZGSDUBS-UHFFFAOYSA-N 439.009 6.067 30 10 IKEE O=C(Oc1cccc(C=CC(=O)c2ccccc2Cl)c1)c1ccc(-c2ccccc2)cc1 2325717695 SGFLCVRVLKOZOP-UHFFFAOYSA-N 438.910 7.122 30 10 IKEE Cc1c(OCC(=O)Nc2ccccc2Cl)ccc2c1OC(=CC=Cc1ccccc1)C2=O 2325718301 VEFCTCZKCCMONY-UHFFFAOYSA-N 445.902 5.838 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)CCCOc3ccccc3Cl)c2)c(C)c1 2325736255 IFBFCUPMUYYSHP-UHFFFAOYSA-N 448.946 6.618 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cccc(OC)c3)c2)cc1 2325738812 HVPLTMIAHRWBHF-UHFFFAOYSA-N 446.499 5.608 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OC(=O)Cc1ccc(F)cc1 2325750220 IWNQBICKNIRMJN-UHFFFAOYSA-N 432.491 6.002 30 10 IKEE CCCCCCC(=O)Oc1cccc(C=CC(=O)c2cc(Cl)c(OC)cc2OC)c1 2325759643 CHTLKWBWEOMAMK-UHFFFAOYSA-N 430.928 6.129 30 10 IKEE CSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1ccc(N(C)C)cc1 2325902049 WXDXASDGXIJJIP-UHFFFAOYSA-N 437.613 5.133 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1cccc(OCC(C)C)c1 2326306414 HBDXEAUZSFVYTQ-UHFFFAOYSA-N 436.625 6.138 30 10 IKEE C=CCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1ccc(C(C)(C)C)cc1 2327020178 SIXVLYFZYYKDGO-UHFFFAOYSA-N 448.636 6.056 30 10 IKEE CCCSc1nnc(CCc2ccccc2Cl)n1N=Cc1cn(C)c2ccccc12 2327980183 SNUWDIZIUNMXKY-UHFFFAOYSA-N 438.000 5.593 30 10 IKEE COc1ccc(C=C2C[C@H]3[C@@H]4CCc5cc(OC(C)=O)ccc5[C@H]4CC[C@]3(C)C2=O)cc1 2328655497 FJIRFWDJPBXNKB-CRFRDXJISA-N 430.544 5.739 30 10 IKEE Oc1ccc(C=Nn2c(Cc3ccc(Cl)cc3)nnc2SCCc2ccccc2)cc1 2329102885 GYXLFKQUIJZIKF-UHFFFAOYSA-N 448.979 5.445 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3Cl)n2N=Cc2cccs2)cc1 2329995407 RDOZAIIRAIHEKQ-UHFFFAOYSA-N 439.009 6.067 30 10 IKEE Cc1ccc(C=Nn2c(Cc3cccs3)nnc2SCc2cccc(Cl)c2)cc1 2330431362 HASNJMNLIMLGDC-UHFFFAOYSA-N 439.009 6.067 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)c1ccc(F)cc1 2331115676 JFYMFEGMSHWDPK-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1 2331332799 OBTRORMSRKHODF-UHFFFAOYSA-N 434.463 5.413 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C3CC3)n2N=Cc2ccc(C(C)(C)C)cc2)c1 2331728675 AUFQGYZXORFMEF-UHFFFAOYSA-N 447.608 5.374 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3C)c(OC)c2)cc1Cl 2331834925 AWZXDUZRQSVFMK-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE Cc1cc(CSc2cc(I)ccc2Br)ccc1C#N 2338402864 ARDJSHNRUBEMPS-UHFFFAOYSA-N 444.135 5.526 30 10 IKEE C[C@H](c1cccs1)N(Cc1ccccc1)Cc1ccc(C#CCN)c(Br)c1 2377304152 TWPHROKDVFDIGC-GOSISDBHSA-N 439.422 5.584 30 10 IKEE Cc1ccc(C)c(COc2ccc3c(c2)O/C(=C/c2ccc(-c4ccccc4)cc2)C3=O)c1 2441638 LXADTHXEGOGCNJ-STBIYBPSSA-N 432.519 7.166 30 10 IKEE N#Cc1cnn(-c2ccc3ccccc3n2)c1NC(=O)c1c(Cl)ccc(Cl)c1Cl 12238847 VOXXNRRXXORVPS-UHFFFAOYSA-N 442.693 5.505 30 10 IKEE COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2OC)C3)cc1O 21232091 JJRFZYXJSAOVFY-XGCWNURASA-N 442.515 5.389 30 10 IKEE CC(C)COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2)cc1 21237440 GPDIGEQEGAMAHS-MNNSJKJDSA-N 438.571 6.701 30 10 IKEE COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc3ccccc3c2)c1 21255467 SCIHKMGQMHBFCL-YUDQIZAISA-N 446.550 6.828 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1 35444256 YZOUVOYIZRDXLU-XPXBXICFSA-N 441.527 5.755 30 10 IKEE O=C1NC(=N/c2ccc(Cl)cc2)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)S1 35517739 IGKRVESVRBPIPC-WQRHYEAKSA-N 425.853 6.036 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(OCCC)cc1 40076806 APIHBLOHMUSSHU-OAQYLSRUSA-N 427.928 5.507 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(CC)cc1 40094168 YHKWWIIBJVJKPS-RUZDIDTESA-N 449.591 5.971 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC)c2)[C@H]1c1cccc(OCCC)c1 40101060 VEOHBWBZWSYBMH-HSZRJFAPSA-N 437.536 5.253 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OC(=O)c4ccccc4OC)ccc3C2=O)cc1 62883573 DAUGSYLAALDPSV-XYGWBWBKSA-N 443.499 5.377 30 10 IKEE C=CCOc1cccc([C@@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccc(OC)cc2)c1 64797152 AHNNDHWOKTVVRK-SFHVURJKSA-N 435.501 5.161 30 10 IKEE C=C(C)COc1cccc(NCC(=O)Nc2ccc(NC(=O)c3cccc(C)c3)cc2)c1 66063140 YNFWGQVFCANKAD-UHFFFAOYSA-N 429.520 5.253 30 10 IKEE N#Cc1ccccc1Sc1ccccc1C(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 72012255 QHXSRIMOXOGXNL-OAQYLSRUSA-N 434.948 5.577 30 10 IKEE CCCCCCCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1 103717376 CTWBLRNUTHKPTJ-RELWKKBWSA-N 434.536 5.401 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)/C=C\c3ccco3)=C(O)C(=O)N2Cc2cccnc2)cc1 111832504 SAIUOPRLZBQBLZ-JPFBCYGGSA-N 442.515 5.150 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2OC)cc1 169944773 XATCATHAZKHBDQ-XMMPIXPASA-N 443.499 5.185 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccc(F)cc2F)c1 169971252 BWHCMZPBZHUABW-HSZRJFAPSA-N 433.454 5.673 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2c2cccc(C)c2)c1 170035724 ALGDLLDWUMEVBY-VWLOTQADSA-N 441.527 5.739 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2ccc(F)cc2)c1 170063912 VBRRDQWMHKPLET-QFIPXVFZSA-N 437.417 5.504 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2c[nH]c3ccccc23)c1 170076667 ZOYQOYAZZDVYGF-HSZRJFAPSA-N 426.472 5.156 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2c[nH]c3ccccc23)c1 170078358 YLWNXGDOWKIEJE-QHCPKHFHSA-N 430.504 5.088 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2cccc(O)c2)c1 170082204 WWKIGOQXGLSIRZ-JOCHJYFZSA-N 435.426 5.070 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(OC)c2)cc1C 170121565 XIWLSDBPCQSJJZ-DEOSSOPVSA-N 449.547 5.313 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(OC(C)C)cc1 170152328 FNQBCAZVOADAPF-DEOSSOPVSA-N 433.548 5.341 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@H]1c1cccc(OC(C)C)c1 170153319 JLXBPFLILZUSFN-OAQYLSRUSA-N 443.927 5.124 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2cccnc2)cc1C 170184237 YGHGTEGSYITCAQ-HSZRJFAPSA-N 446.478 5.101 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccnc2)cc1C 170189390 LBGZWTJGJHGATF-XMMPIXPASA-N 442.515 5.270 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1OC 170235147 YSPAANMICFLJKJ-JOCHJYFZSA-N 449.890 5.140 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@H]1c1ccc(Cl)cc1 170236745 FXIWBEUEFMSHNC-JOCHJYFZSA-N 441.955 5.897 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@@H]1c1ccc(C(C)C)cc1 170245230 RMTCEDLTYKIPSI-QFIPXVFZSA-N 441.955 5.850 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@@H]1c1cccc(O)c1 170262830 QCHLTPRXLASWLK-QHCPKHFHSA-N 437.536 5.293 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)c(Cl)c2)=C(O)C(=O)N1C1CCCCC1 170275441 FTVMSVOOSUKYNS-OAQYLSRUSA-N 444.358 6.213 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccco2)c1 170282570 YBDNWVOOUWGREL-QHCPKHFHSA-N 431.488 5.467 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccco2)c1 170296938 MIQDQNHVFFIYBQ-QHCPKHFHSA-N 426.472 5.156 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccc(C)o2)c1 170299941 NPOAFFGAVFCPGY-HSZRJFAPSA-N 447.487 5.005 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2ccc(C)o2)c1 170304389 BPOPRTMOGAETJA-HSZRJFAPSA-N 447.487 5.174 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)[C@@H]1c1ccc(F)cc1)c1cccs1 170377634 MFCWGKMTRGOYOP-GOSISDBHSA-N 447.409 5.689 30 10 IKEE Cc1cccc(Oc2ccc(N3C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]3c3cccs3)cc2)c1 170476503 PYPAQSCXAVHFKN-JOCHJYFZSA-N 447.556 6.364 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(OCc3ccccc3)cc2)[C@@H]1c1ccccn1 170478718 VEBDBIRYFSJLGD-RUZDIDTESA-N 442.515 5.176 30 10 IKEE COc1ccc(Cl)cc1C(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N 170522133 MLUPZXVHAORSBG-UHFFFAOYSA-N 428.875 6.400 30 10 IKEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(Cl)c(Cl)c(Cl)c2O)cc1 206366011 JYCVUIYUWOPBIN-MRXNPFEDSA-N 431.706 6.260 30 10 IKEE N#CC1(C#N)[C@H](c2ccccc2F)[C@H](C(=O)c2ccc(F)cc2)N2c3ccccc3C=C[C@@H]21 229810392 GJHMSCUNAQONKE-UBFVSLLYSA-N 437.449 5.249 30 10 IKEE C=CCn1cc(/C=C2\SC(=Nc3ccccc3)N(c3ccccc3)C2=O)c2ccccc21 252590559 ATHHIMMRTKFDOV-SBEYKLCGSA-N 435.552 6.636 30 10 IKEE CC(=O)c1ccc(N=C2SCCCN2C(=O)COc2ccccc2-c2ccccc2)cc1 254808205 GHSIRDQWFPJRKC-UHFFFAOYSA-N 444.556 5.588 30 10 IKEE C=CCCN(c1cccc(OC(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586245795 WNUYNFOQYBEARC-UHFFFAOYSA-N 440.270 5.663 30 10 IKEE CC(C)Oc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2ccc(Cl)cc2)cc1 586256485 JDZRFDMZTUAJMF-UHFFFAOYSA-N 440.952 5.394 30 10 IKEE Cc1cc(C)c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)c(C)c1 698459909 SRWOXJYIEKWAJQ-LJQANCHMSA-N 429.358 6.381 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 698484090 MZRFCPUQZGVOLU-XVIHEJCXSA-N 441.572 5.274 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1cnn(C(C)(C)C)c1 698491191 XFDYKABTTIKSOD-QGZVFWFLSA-N 433.350 5.407 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCc3c(Br)cccc32)cc1 710779364 VOIVAWZQVJCILC-QFIPXVFZSA-N 427.342 5.864 30 10 IKEE Cc1nc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)sc1Br 719322835 VAYXWDLKIJNCAC-ZDUSSCGKSA-N 426.311 5.360 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1 724068023 CDFUZXBXEWBFGY-BXKMTCNYSA-N 445.560 5.024 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 724082483 VZYMYFCDHAVLBM-CJFMBICVSA-N 443.588 5.401 30 10 IKEE CSc1nc(SC(=S)Nc2ccccn2)c(C#N)c(-c2ccc(Cl)cc2)n1 1088666990 JKZXQUYQGGRCSL-UHFFFAOYSA-N 429.983 5.275 30 10 IKEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CC1CCCCC1 1301149646 CPOUMMCLZLONRS-UHFFFAOYSA-N 434.588 5.213 30 10 IKEE Cc1cc2c(n1-c1ccc(Cl)cc1)CC(C)(C)CC2=NOC(=O)COc1ccccc1 1772728733 WFDXMZOFWYKKQY-UHFFFAOYSA-N 436.939 5.738 30 10 IKEE Cc1cc(C)cc(-n2c(C)cc3c2CC(C)(C)CC3=NOC(=O)c2ccccc2Cl)c1 1772728740 WPBPCGWLPDMXPQ-UHFFFAOYSA-N 434.967 6.589 30 10 IKEE C=CCOc1ccc(/C=C2/SC(=Nc3nc(-c4ccccc4)cs3)N(C)C2=O)cc1 1772739173 PVSIIFPUAXJXCA-SKYIDQJDSA-N 433.558 5.609 30 10 IKEE C=C(C)Cn1nc(C)c(CCC(=O)NCC2(Cc3nc4ccccc4[nH]3)CCCCC2)c1C 1860322920 NCBSCZHGWIXSMJ-UHFFFAOYSA-N 447.627 5.194 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)[C@@H](C)CC 1861132147 SYYAAKQUDHWYTP-HENBPXIHSA-N 445.604 5.396 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc3c(c2)CCCC3)n(Cc2ccc(F)cc2)n1 1862359495 ZBKIQVVGTWVBEM-UHFFFAOYSA-N 429.539 5.431 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2cccc(F)c2)cc1 1862391327 YFFHISFGDUDDRJ-VWLOTQADSA-N 443.518 5.947 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(Cl)cc1Cl 1862416592 QGRAAJWLJPGVSS-SFHVURJKSA-N 440.273 5.650 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)c(OCCC)c2)[C@@H]1c1ccccc1 1862425191 RQHDXVGWKRBMMI-QHCPKHFHSA-N 435.520 5.029 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2cccc(C)c2)c1 1862501675 IFNDKUFICQOBRX-XMMPIXPASA-N 445.490 5.230 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(F)cc1 1862524384 DCORRWWFMMWGMH-IBGZPJMESA-N 446.316 5.357 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862591160 UFVUHSNOYDGXMD-DEOSSOPVSA-N 427.500 5.042 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(C(C)C)cc1 1862651945 YWBPCJYRXYJKCY-VWLOTQADSA-N 427.544 6.198 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCCCN(C)C)cc1 1862662620 JMVZHAHBUSJENP-VWLOTQADSA-N 448.607 5.293 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCOC(C)C)cc1 1862664362 ZOAUHPSCMBWVJQ-XMMPIXPASA-N 435.564 5.376 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCc2ccc(F)cc2)cc1 1862673083 BQDCNFLTBZMIKN-QHCPKHFHSA-N 433.454 5.094 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccccc2F)cc1 1862687900 PQCKTRWIHNMPNU-QHCPKHFHSA-N 437.511 5.526 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862688637 XTBNQTBAJBIFEP-BVZFJXPGSA-N 441.527 5.597 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccccc2C)c1 1862698757 NHFPJTIZMUREJO-KOSHJBKYSA-N 427.500 5.343 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 1862724089 IWRXVKNDKWIWSS-VWLOTQADSA-N 443.518 6.261 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccccc1F 1862724502 NXMKUKVYWUKUCK-DEOSSOPVSA-N 429.491 5.871 30 10 IKEE CC(C)(C)c1ccccc1NC1=C(c2ccc(F)cc2)C(=O)N(c2ccc(C#N)cc2)C1=O 1862769028 COJXNUQRFIPKEU-UHFFFAOYSA-N 439.490 5.391 30 10 IKEE CCCCc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(C)c(C)c3)C2=O)cc1 1862872541 NTTIZNKPDUHCLI-UHFFFAOYSA-N 449.554 5.914 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccc(C(C)C)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1863031124 XPAFOVKBNQQAOD-UHFFFAOYSA-N 435.527 5.695 30 10 IKEE CCCCCCCCNC1=C(c2ccc(OCCC)cc2)C(=O)N(CCCCC)C1=O 1863680869 JAHUUXSHUYXIPO-UHFFFAOYSA-N 428.617 5.696 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(F)c(C)c2)C(=O)N(C[C@@H]2CCCO2)C1=O 1863787067 ZKORISSDCCOIDX-NRFANRHFSA-N 444.591 5.123 30 10 IKEE CCCCCCCCCCNC(=O)c1cccc(N2COc3ccc4ccccc4c3C2)c1 1865899926 DRLFVJLVICQYOL-UHFFFAOYSA-N 444.619 7.067 30 10 IKEE C=CCOc1cn(Cc2ccc(F)cc2)c(CNc2ccc(N(CC)CC)cc2C)cc1=O 1870809024 LYZKNUZEBXNGJW-UHFFFAOYSA-N 449.570 5.367 30 10 IKEE C=CCOc1cn(C[C@@H](O)c2ccc(Cl)cc2)c(CNc2cc(C)ccc2C)cc1=O 1870812926 OUEHQTUHRTZPAP-XMMPIXPASA-N 438.955 5.029 30 10 IKEE CCCCCCCOc1cn(CCOC)c(CNc2ccc(CCCC)cc2)cc1=O 1870832176 QOHSRAZOWUJVRJ-UHFFFAOYSA-N 428.617 5.799 30 10 IKEE C=CCn1cc(OCCCCC)c(=O)cc1CNc1cccc(OCc2ccccc2)c1 1871128671 JMVOGXJRTAJGCW-UHFFFAOYSA-N 432.564 5.794 30 10 IKEE CCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CNc1cccc(C)c1C 1871258023 LNMAITOZIYMANZ-UHFFFAOYSA-N 426.645 6.863 30 10 IKEE CCCCCCCCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(C)cc1)C3=O 1871349252 RHQIHWUZVGUDIZ-ITYLOYPMSA-N 433.592 6.904 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(C1CCCCCCC1)C3 1871349659 VXORPRNGRJTICP-XYGWBWBKSA-N 447.575 6.275 30 10 IKEE Cc1cc(OC(=O)C(Cl)(Cl)Cl)cc2c1C(=O)/C(=C/c1ccc(Cl)cc1)O2 1871363196 LHJSMIWSRKFZGN-AUWJEWJLSA-N 432.086 5.540 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)CCc4ccc(Cl)cc4)c3C)C2=O)cc1 1871368883 TVNHRLWQONTUOO-HAHDFKILSA-N 448.902 5.811 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(F)c(F)c4F)ccc3C2=O)cc1 1871370549 RDFHVNHTPARDFU-JAIQZWGSSA-N 440.373 5.338 30 10 IKEE Cc1c(OC(=O)c2ccc(OC(C)C)cc2)ccc2c1O/C(=C\c1ccccc1F)C2=O 1871388268 MHSYXURZWQPMAP-UCQKPKSFSA-N 432.447 5.757 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2)C3=O)cc1Cl 1871402184 RTNHYTIUZMRXLP-HNEZCVDCSA-N 433.891 5.671 30 10 IKEE Cc1cc(OCC(=O)C(C)(C)C)cc2c1C(=O)/C(=C/c1cccc(Br)c1)O2 1871420303 ZTBZFVVWRHFPFM-ZDLGFXPLSA-N 429.310 5.368 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4cccc(Cl)c4C)c3C)C2=O)o1 1871427399 CJRJTMUKYDANCG-NHDPSOOVSA-N 437.879 5.492 30 10 IKEE C=CCN(CC=C)c1nc(=NCCCCCCCC)nc(Nc2ccc(OC)cc2C)[nH]1 1871691907 JUQXDMMFEVEDMU-UHFFFAOYSA-N 438.620 5.305 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(C(C)C)cc1)[C@@H](C)CC)S(=O)(=O)c1cccs1 1871852713 VHGWHYRADTUNPB-UWJYYQICSA-N 434.627 5.102 30 10 IKEE CC(C)COc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 1872760320 LRUFFPDQXGLUDW-QHCPKHFHSA-N 426.541 6.488 30 10 IKEE CCCCCCCOc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(C)cc3)n2)cc1 1872776769 XFAUXJOQHUJZIH-DEOSSOPVSA-N 446.616 6.887 30 10 IKEE COc1ccc(Cl)cc1C(=O)[C@H](C#N)c1nc(-c2cc(C)cc(C)c2OC)cs1 1872780950 NTFOMPPZHCAHOQ-KRWDZBQOSA-N 426.925 5.588 30 10 IKEE CCc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2cc(C(C)(C)C)ccc2C)cs1 1872785617 RCSMUZKVHBVZEN-OAQYLSRUSA-N 432.589 6.234 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)/C=C\c3ccc4c(c3)OCCO4)n2)cc1C 1872787137 BPJVBKBPSAFNLI-UTSMFGRCSA-N 446.528 5.096 30 10 IKEE CCCCCCCCN1C(=O)C(NC2CCCC2)=C(c2ccccc2Br)C1=O 1873067899 XXTJFURCTBMNRX-UHFFFAOYSA-N 447.417 5.422 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(Cl)cc1C)n2Cc1ccccc1 1873612980 QJLDBUBRPXJAMB-UHFFFAOYSA-N 431.927 5.292 30 10 IKEE Cc1c(CCC(=O)Nc2ccc(C#N)cc2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 1873864781 XKLSOZLTDULDRI-UHFFFAOYSA-N 428.488 5.588 30 10 IKEE CCCCCCCCNC(=O)[C@@H]1CS[C@H](c2ccccc2)N1C(=O)c1ccc(C)cc1 1873886062 FSKDTLKUTLQINT-JYFHCDHNSA-N 438.637 5.728 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](C)Oc1ccc2c(CCCC)cc(=O)oc2c1C 1873935744 XUXIBPNYLXXQAR-NRFANRHFSA-N 443.628 6.468 30 10 IKEE C=CCSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1ccc(Cl)cc1 1874226568 QRQWUFSKOOFVKI-PCLIKHOPSA-N 441.000 5.720 30 10 IKEE CCCOc1ccc(/C=N/n2c(COc3ccccc3Cl)nnc2SCC)cc1 1874267223 MSMDZYPDPZTJCO-OEAKJJBVSA-N 430.961 5.294 30 10 IKEE CCOc1ccc(Cc2nnc(SCC)n2/N=C/c2ccc(N(CC)CC)cc2)cc1 1874303563 FTILJVFYFMEHLO-XIEYBQDHSA-N 437.613 5.108 30 10 IKEE CCSc1nnc(CCc2ccccc2OC)n1/N=C/c1ccc(Cl)c(Cl)c1 1874313334 PGLXDQIFPQBYAC-YDZHTSKRSA-N 435.380 5.373 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1cccc2ccccc12 1874320560 XXNJFBWBMWVZBA-JFLMPSFJSA-N 442.588 6.178 30 10 IKEE CCCOc1ccc(/C=N/n2c(COc3cccc(C)c3C)nnc2SCCC)cc1 1874324697 SVDLCCBGNSNELU-PCLIKHOPSA-N 438.597 5.647 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3ccccc3C)nnc2-c2ccccc2Cl)c1 1874364431 CGRMEMVNWUVWEG-CVKSISIWSA-N 432.980 6.390 30 10 IKEE Cn1cccc1/C=N/n1c(Cc2ccccc2F)nnc1SCc1ccc(Cl)cc1 1874376957 XPIWBQXWXNRLLY-AFUMVMLFSA-N 439.947 5.174 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1sccc1C 1874379377 OQFGEGRKAJUKQR-AFUMVMLFSA-N 436.581 5.861 30 10 IKEE Fc1cccc(/C=N/n2c(COc3ccccc3)nnc2SCc2ccccc2F)c1 1874384588 YARXWHDCISALIX-VULFUBBASA-N 436.487 5.310 30 10 IKEE Cc1cccc(CSc2nnc(CC(C)(C)C)n2/N=C/c2ccc(Cl)c(Cl)c2)c1 1874437900 ZAQDLIAJFDFIOQ-DHRITJCHSA-N 447.435 6.656 30 10 IKEE Oc1ccccc1/C=N/n1c(SCc2cccc3ccccc23)nnc1[C@@H]1CCCO1 1874450032 RRPJCFNRGZJDFF-IBUSPFOHSA-N 430.533 5.163 30 10 IKEE Cc1ccc(/C=N/n2c(SCC(=O)N[C@@H](C)c3ccccc3)nnc2C2CCCC2)cc1 1874457170 DORTVWUCVBEXQQ-JHKMYFMNSA-N 447.608 5.096 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2-c2ccco2)cc1OC 1874465701 XBXVENUMEZACEO-ZVHZXABRSA-N 434.521 5.038 30 10 IKEE O=C(COc1ccc2ccccc2c1/C=C/C(=O)c1ccccc1)Nc1ccccc1F 1874578262 FDTYFNLAEJBBDU-FOCLMDBBSA-N 425.459 5.893 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C)cc2)c1OCC(=O)Nc1c(C)cccc1C 1874580121 YOLXEQGOWRJHHW-FOCLMDBBSA-N 429.516 5.534 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2cc(C)cc(C)c2)c(OC)c1 1874588030 QOFBXHHECGACDK-FMIVXFBMSA-N 445.515 5.234 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C 1874614124 FXSKPWDUTPIFJR-OUKQBFOZSA-N 449.934 5.879 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)ccc1OCc1ccccc1Cl 1874622125 NHSGZJJDSDBOQM-RMKNXTFCSA-N 436.891 5.595 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2F)c(Br)c1)c1ccc(F)cc1 1874624952 FGGAQSCJKBRBJN-VZUCSPMQSA-N 429.260 6.202 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)c1ccc(F)cc1 1874625131 NNZWMHGYNUJEPC-VZUCSPMQSA-N 445.715 6.717 30 10 IKEE O=C(Oc1cccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(F)cc1F 1874695863 VXZDYUIHRYFPAB-RUDMXATFSA-N 433.237 6.387 30 10 IKEE CCc1ccccc1OCC(=O)Oc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OC 1874697093 TTXSSFYHYNTQIC-OQLLNIDSSA-N 446.499 5.147 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@H]3C[C@H]3c3ccccc3Cl)c2)c(C)c1 1874701807 AMFURCYVNMEUID-QAYVAONCSA-N 430.931 6.562 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(F)c(C)c3)c2)c1 1874706764 YDEGOEATNFTEBD-DHZHZOJOSA-N 434.463 5.196 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OC(=O)c1ccc2c(c1)OCO2 1874708120 NHZZHLHWYCOKCQ-NYYWCZLTSA-N 444.483 5.663 30 10 IKEE CCOc1cccc(C(=O)Oc2cccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)c2)c1 1874711322 VRJUAXRHOXQOFZ-BUHFOSPRSA-N 428.528 6.434 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1Cl 1875085000 KOMIVQUALZRDTA-UXBLZVDNSA-N 439.826 5.432 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)c1ccccc1C 1875123548 ROWOUUJIQFXIPJ-ZHACJKMWSA-N 441.310 6.426 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1ccc(N(C)C)cc1 1875133041 AYOLDSXJMSBBCB-OVCLIPMQSA-N 445.515 5.194 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)Cc1cccs1 1875139206 XIJPGKCPHWNFIH-CMDGGOBGSA-N 440.948 6.071 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc(Cl)c1OC(=O)C(C)(C)C 1875151792 CCBULPHUGNNIHE-VQHVLOKHSA-N 434.891 5.734 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)cc2F)c(Cl)c1)c1ccc(F)c(F)c1 1875162235 DEWACNYNJKUURS-LREOWRDNSA-N 434.772 6.012 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)c1ccccc1C 1875181692 SKAIGTMTEONQEF-ZHACJKMWSA-N 448.946 6.698 30 10 IKEE C#Cc1cc(CC(=O)OC)c(C)c(N(C)C(=O)OCC2c3ccccc3-c3ccccc32)c1 1887521527 XIGGDTVWEQZEMB-UHFFFAOYSA-N 439.511 5.077 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@H](CNC(=O)OC(C)(C)C)C1CCCC1)NCCC 1922079110 CAVSQCBCHHJSKF-RPBOFIJWSA-N 444.660 5.849 30 10 IKEE CCC1(NC(=O)OC(C)(C)C)CC(C#N)(N(C(=O)OC(C)(C)C)c2cccc(C)c2)C1 1947416025 WBXQLTIUMASYFR-UHFFFAOYSA-N 429.561 5.466 30 10 IKEE C=C(C(=O)O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1Cl 1951599914 FOMWJEOWBMSUEQ-QHCPKHFHSA-N 433.891 5.561 30 10 IKEE CCCCCCC[C@@H]1C[C@@H](C(=O)O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21 1952437449 LRHDWYLZALDGOU-LEWJYISDSA-N 449.591 6.461 30 10 IKEE C=CCCCC[C@@H](NCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2009484925 QOTSXCXJTIEHMT-HSZRJFAPSA-N 429.649 5.270 30 10 IKEE C=CCCCCCC[C@@H](O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2026013579 ZTXHDOWBPGNDNN-HSZRJFAPSA-N 430.633 5.433 30 10 IKEE CC(C)(C)C#Cc1cc(N(C(=O)[C@H]2CC[C@H](C)CC2)C2CCC(=O)CC2)c(C(=O)O)s1 2060419230 LVAFVWWVCUHOMZ-QAQDUYKDSA-N 443.609 5.515 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(C(=O)OC(C)(C)C)[C@H]2C(C)(C)C)c1 2076160915 CCNXHXSATOXFGD-UQBPGWFLSA-N 443.588 5.664 30 10 IKEE ON=Cc1c(C(F)(F)F)nn([C@H](c2ccc(C(F)(F)F)c(F)c2)C2CCC2)c1Cl 2079844951 PEVISQPUSSEOJA-ZDUSSCGKSA-N 443.750 5.911 30 10 IKEE COc1ccc([C@H](C2CCC2)n2nc(C(C)(C)C)c(C#N)c2I)cc1 2079876230 GMLYHYCPIAWCQO-KRWDZBQOSA-N 449.336 5.055 30 10 IKEE Fc1c(-c2c(C(F)(F)F)nn([C@H]3CCOC3)c2Br)cccc1C(F)(F)F 2080913347 ODUGQZIYKQXBQP-ZETCQYMHSA-N 447.148 5.451 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CC[C@@H](Nc3ccc(Br)cc3C#N)C2)CC1 2155284839 RTSYLZKKVALPGT-QGZVFWFLSA-N 434.378 5.302 30 10 IKEE Brc1ccc(Br)c(CN=C2N[C@@H](c3ccsc3)CS2)c1 2175633969 LVOICMFOIVJFPL-CYBMUJFWSA-N 432.206 5.207 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](Cc2ccc(C)c(Br)c2)NCC)C1 2183006142 HOUAWRZFZCGWSZ-IBGZPJMESA-N 437.422 5.139 30 10 IKEE C[C@H](Nc1cc(Br)ccc1C#N)c1ccc(CNC(=O)OC(C)(C)C)cc1 2187542377 JXQDQZIYWZIBGU-AWEZNQCLSA-N 430.346 5.519 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2cc(Br)c(C#N)cc2F)C[C@H]1C1CC1 2198267875 WVIIWUDQKZNZEK-KDOFPFPSSA-N 438.341 5.050 30 10 IKEE Cc1sc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)c(C)c1C 2228570924 KIQSBXYEAWNXFZ-QGZVFWFLSA-N 435.387 6.442 30 10 IKEE CC#CCCCC[C@H](NC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237433376 DUNQQUFLFPJOQV-PMACEKPBSA-N 437.422 5.057 30 10 IKEE CC1=C(B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 2241557479 AAPQDBKMUGRFOG-UHFFFAOYSA-N 445.368 5.589 30 10 IKEE C=CCN(CC(=C)B1OC(C)(C)C(C)(C)O1)C(=O)OCC1c2ccccc2-c2ccccc21 2241561693 BJBNUDLMYZFEDA-UHFFFAOYSA-N 445.368 5.611 30 10 IKEE CC(C)[C@@H](C)N(Cc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2255953260 GMJXGOUGCVUJMC-GOSISDBHSA-N 441.808 5.326 30 10 IKEE CC(C)(C)C#CC=CC[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2268723511 VMBGQYVFALMLNZ-MHZLTWQESA-N 440.583 6.874 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCCC)c2cc(OC)c(Br)s2)C1 2278367089 XDIDTLAQJYBAMX-HNNXBMFYSA-N 445.423 5.173 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(C(=O)C#Cc2cccc(Br)c2)ccc1Cl 2278744152 NWVLUZLCPVUWAC-UHFFFAOYSA-N 434.717 5.684 30 10 IKEE N[C@H](CC(F)(F)C(F)(F)F)c1c(F)cc(Br)c(F)c1Br 2288374322 RHYGITOQFCFUSD-RXMQYKEDSA-N 432.959 5.077 30 10 IKEE CCC[C@@]1([C@H](O)C#Cc2ccc(Br)cc2)CCCCN1C(=O)OC(C)(C)C 2296292391 XXZOKIDQBJDCFL-KNQAVFIVSA-N 436.390 5.121 30 10 IKEE CN(C(=O)OC(C)(C)C)C1(C[C@@H](N)C#Cc2ccc(Br)cc2)CCCCC1 2296304990 NOFHLDALQZKZGD-IBGZPJMESA-N 435.406 5.088 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H](CC=C(C)C)NC(=O)OC(C)(C)C 2296305839 ZHGSGVSEKDQYJA-WOJBJXKFSA-N 435.406 5.028 30 10 IKEE Cc1nc(N2C(=O)C(=O)C(=C(O)c3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)sc1C 2296936526 ZJTZTVJBQOBHSS-SFHVURJKSA-N 442.899 5.179 30 10 IKEE CCc1ccc(N=C2SC(=Cc3ccccc3F)C(=O)N2c2ccc(CC)cc2)cc1 2297455849 KBLXMUMJJKKJAP-UHFFFAOYSA-N 430.548 6.759 30 10 IKEE COc1ccc(C=C2Oc3c(ccc4c3[C@H](c3ccc(O)c(Cl)c3)CC(=O)O4)C2=O)cc1 2297595866 OGVUEVZLBVSKDA-KRWDZBQOSA-N 448.858 5.111 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 2298495909 GXFXTYZPSWAELF-RVQUTYLMSA-N 433.593 5.142 30 10 IKEE O=C1C(=NNc2ccc(Br)cc2)c2ccccc2N1CC=Cc1ccccc1 2313646617 ISWZINMHQBIZFB-UHFFFAOYSA-N 432.321 5.325 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCc4ccc(Cl)c(Cl)c4)ccc3C2=O)cc1 2314438501 VKPMNVKVYBGXRK-UHFFFAOYSA-N 441.310 6.587 30 10 IKEE COc1ccc(C=C2SC(=Nc3nc(C)cs3)N(c3ccccc3)C2=O)c(OC)c1 2314543902 OVPBVGNKQJKPJK-UHFFFAOYSA-N 437.546 5.277 30 10 IKEE CCCOc1c(OC)cc(C=NNc2nc(-c3ccccc3OC)cs2)cc1OC 2318418387 YXZPNCKQWPHOKS-UHFFFAOYSA-N 427.526 5.071 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)C12CC(CCN1C(=O)OC(C)(C)C)C2 2318806003 YEFGGGIMPZYNIA-PSWPWZSKSA-N 441.572 5.418 30 10 IKEE CCOc1cc(C=Nn2c(S)nnc2CCc2ccc(Cl)cc2)ccc1OC(C)C 2322115127 UKTAUGRYKNPOFF-UHFFFAOYSA-N 444.988 5.074 30 10 IKEE CCN(CC)CCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1cccc(C)c1)C3=O 2322122901 AULMKJRSUJUWBA-UHFFFAOYSA-N 434.580 5.194 30 10 IKEE COc1ccc(CN2COc3c(cc4c(c3C)OC(=Cc3cccc(F)c3)C4=O)C2)cc1 2322305299 SNTGUKFZUZJPOY-UHFFFAOYSA-N 431.463 5.111 30 10 IKEE O=C(C=Cc1cc(Br)ccc1OCc1ccccc1)c1ccc2c(c1)CCCC2 2322328677 DLWDCAXQAONUFY-UHFFFAOYSA-N 447.372 6.803 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1 2322549353 IHMCZORETLUOEP-UHFFFAOYSA-N 427.327 6.867 30 10 IKEE CCc1ccccc1NC(=O)COc1ccccc1C=CC(=O)c1ccc(OC)c(C)c1C 2322815533 GOFDGEJPXBZEAM-UHFFFAOYSA-N 443.543 5.788 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCc3ccc(Cl)c(Cl)c3)c2)c(OC)c1 2323283337 WEUOKQVUPYRVKI-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE CC(C)Oc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)c1 2323808658 HZSOBIHSCVEZCH-UHFFFAOYSA-N 445.427 5.217 30 10 IKEE COc1ccccc1-c1csc(NN=Cc2ccc(OC)c(OC)c2Br)n1 2323840389 WXMSVGPKIXPJFO-UHFFFAOYSA-N 448.342 5.044 30 10 IKEE CC(C)C(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(F)c2)C3=O)c1 2323908985 ITEXFQPSNIWTOR-UHFFFAOYSA-N 446.430 5.223 30 10 IKEE Cc1cc(O)c(CN(Cc2ccccc2)C(C)C)c2c1C(=O)C(=Cc1ccccc1Cl)O2 2324014490 ZHQLSXURZARUII-UHFFFAOYSA-N 447.962 6.381 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc([N+](=O)[O-])c1OCc1ccccc1 2324097309 WGMXSXYINBFFCY-UHFFFAOYSA-N 447.443 5.197 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc(O[C@@H](C)C(=O)Nc3ccc(F)cc3)c2C)C1=O 2324319852 NWPNUXIQIVQZFF-INIZCTEOSA-N 447.462 5.165 30 10 IKEE COc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O 2324465049 RLARVYSZNOZTRH-HNNXBMFYSA-N 449.890 5.371 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)ccc1OCc1ccccc1Cl 2324586363 YMSTXUAEPGKGGD-UHFFFAOYSA-N 448.990 7.430 30 10 IKEE CCc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccc(Cl)cc4)ccc3C2=O)cc1 2324610138 UWCAAMKWPXNLDH-INIZCTEOSA-N 447.918 5.925 30 10 IKEE CCCC[C@@H](Oc1cc(C)c2c(c1)OC(=Cc1ccccc1Br)C2=O)C(=O)O 2324781233 VUWVBOHPRGQKDP-QGZVFWFLSA-N 445.309 5.396 30 10 IKEE COc1ccc(C)cc1NC(=O)COc1ccc2c(c1C)OC(=Cc1cccc(F)c1)C2=O 2325119376 SGBZUYNPHNIWDU-UHFFFAOYSA-N 447.462 5.085 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(N(CC)CC)cc1 2325511664 GRFQUCPAHITLEH-UHFFFAOYSA-N 439.604 5.781 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1c[nH]c2ccccc12 2325593027 RTQVSXYXKLOUQG-UHFFFAOYSA-N 430.364 5.803 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OCC(=O)Nc3ccccc3Cl)ccc2C1=O 2325717749 CMVADUCWWPHCOK-UHFFFAOYSA-N 425.893 5.344 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OC(=O)c1ccc([N+](=O)[O-])cc1 2325741182 XVGBHNSGDQJPLO-UHFFFAOYSA-N 435.407 5.166 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2cccc(OC(=O)c3ccccn3)c2)cc1Cl 2325766886 FCFFJBSHKXRFBO-UHFFFAOYSA-N 428.271 5.512 30 10 IKEE CSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1ccc(F)cc1F 2325900482 GHIZDBJKPAGWFR-UHFFFAOYSA-N 430.524 5.345 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@]23C[C@H](CCN2C(=O)OC(C)(C)C)C3)cc1 2326630460 DNADKEZAGKSYDZ-BSWQBHCVSA-N 441.572 5.418 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3Cl)n2N=Cc2ccccc2)cc1 2329278415 QFEKGEWPCJYJKF-UHFFFAOYSA-N 448.979 5.705 30 10 IKEE COc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2cccc(C)c2)cc1 2329287897 JGEHAZVUWZGOKQ-UHFFFAOYSA-N 442.588 5.403 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2ccccn2)cc1C 2329430396 BCOCHZFBYHSKBE-UHFFFAOYSA-N 427.577 5.098 30 10 IKEE CCc1ccc(C=Nn2c(CCc3cccs3)nnc2SCc2ccc(C)cc2)cc1 2329627980 FAIAUOOEKOIKFE-UHFFFAOYSA-N 446.645 6.170 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3ccccc3)nnc2-c2cccs2)c1 2330583058 AUXPPPXSWSOEQQ-UHFFFAOYSA-N 434.590 5.970 30 10 IKEE CCCSc1nnc(-c2cccs2)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2330592150 CPCRXZNAYLAWJR-UHFFFAOYSA-N 448.573 5.610 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2ccco2)cc1Cl 2330692900 RNHGDILSGBLDIC-UHFFFAOYSA-N 429.332 6.019 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)cc3)c(Cl)c2)cc1OC 2330718060 PUUZSXUMWBJROK-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1 2330743773 ORHJEVBVHNDBKE-UHFFFAOYSA-N 425.311 6.671 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(C(C)(C)C)cc1 2330824639 FLLCPSFVKOJCLN-UHFFFAOYSA-N 438.616 6.478 30 10 IKEE Cc1ccccc1CSc1nnc([C@@H]2CCCO2)n1N=Cc1c(F)cccc1Cl 2330895918 FVJBRZGVOGVWBN-IBGZPJMESA-N 430.936 5.405 30 10 IKEE O=[N+]([O-])c1ccc(C=Nn2c(SCc3ccccc3F)nnc2C2CCCC2)cc1 2331070813 MZKZXZHKBIXGOX-UHFFFAOYSA-N 425.489 5.158 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3)c([N+](=O)[O-])c2)cc1 2331305560 UKONAROEMJCAGI-UHFFFAOYSA-N 431.444 5.499 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)cc3)c(OC)c2)cc1 2331311584 ZWQZZUXHWITDEX-UHFFFAOYSA-N 430.500 5.908 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(C(C)(C)C)n2N=Cc2ccc(Cl)cc2)o1 2331392296 NYQBSDGBQHPMFF-UHFFFAOYSA-N 446.960 5.173 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc3c(c2)OCO3)cc1OC 2331431947 GWRWQRNQSYQYDS-UHFFFAOYSA-N 444.911 5.849 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3-c3ccccc3)cc2)cc1 2331491404 DEEUVTSSPHUNLZ-UHFFFAOYSA-N 446.546 7.592 30 10 IKEE COc1cc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CCC2)ccc1O 2331527600 JSOFNFMYAIZPDH-UHFFFAOYSA-N 428.945 5.088 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)Cc1ccccc1F 2331630748 NSPWZBHPEJHVSG-UHFFFAOYSA-N 448.490 5.504 30 10 IKEE C=CCc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OC(=O)CCOC 2331656532 OOTHPLNCNMMBRE-UHFFFAOYSA-N 436.548 5.495 30 10 IKEE Cc1ccsc1C=Nn1c(SCC(=O)Nc2cccc(C)c2C)nnc1C(C)C 2331675806 MNSRYUMTRZZWIO-UHFFFAOYSA-N 427.599 5.001 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccncc2)c(Cl)c1 2331792778 QWZROJJEEVNIPJ-UHFFFAOYSA-N 433.935 6.456 30 10 IKEE CC(C)(C)OC(=O)N[C@H](CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C(C)(C)C 2339541701 QMGMCPOPXCDVQR-GOSISDBHSA-N 445.413 5.078 30 10 IKEE CC1(C)CN(Cc2ccccc2)C[C@@H]1Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339543914 YFKWYNWJPCQHRB-FRFYRWIFSA-N 433.405 5.049 30 10 IKEE Cc1ccc(CN2C(=O)/C(=N\Nc3c(Cl)cc(Cl)cc3Cl)c3ccccc32)cc1 8762870 CUYMDWRPOWQJBT-QOMWVZHYSA-N 444.749 6.318 30 10 IKEE COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1c[nH]c2ccccc12 20881835 IWGOAFGVZQHBHE-YMGMXPECSA-N 435.527 6.156 30 10 IKEE CN(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(Cl)cc2)cc1 21222614 ZZWJBQGIFAGBDN-PPHZAIPVSA-N 443.978 6.386 30 10 IKEE Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(Cl)c(Cl)c2)cc1 21227296 LEMTYAUWXDMEOD-QYBDOPJKSA-N 449.381 7.281 30 10 IKEE CC(C)Oc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)c(Cl)c2)cc1 21252090 YYVXDKJUOYZTBC-SJLPKXTDSA-N 444.358 5.785 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)Nc3ccc(C)cn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 27533016 LHWJUNDHHZXMFR-DEOSSOPVSA-N 445.563 5.031 30 10 IKEE CCCCCCCCCCOc1ccc(C2=N/C(=C/c3ccc(N(C)C)cc3)C(=O)O2)cc1 33354816 XMXNZCXFQZHIET-YYADALCUSA-N 448.607 6.617 30 10 IKEE CCCCCCCCc1ccc(-c2ccc(C3=N/C(=C/c4cccs4)C(=O)O3)cc2)cc1 33355921 HTZZAPCWHPWGND-LHLOQNFPSA-N 443.612 7.663 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)c1c(OC)cccc1OC 34954337 XPDTZNJBRHKILX-GXDHUFHOSA-N 432.472 5.136 30 10 IKEE C=CCn1c(SCc2nnc(-c3ccc(C)cc3)o2)nnc1-c1ccc(C(C)(C)C)cc1 43765762 FSYMYCVQOSTTIW-UHFFFAOYSA-N 445.592 6.079 30 10 IKEE C=CCSc1nc2ccc(NC(=O)CSc3nc4ccc(N)cc4s3)cc2s1 58840446 GNHQDPLHQDTJFY-UHFFFAOYSA-N 444.632 5.497 30 10 IKEE Fc1ccc(CSc2n[nH]c(N/N=C/c3ccccc3OCc3ccccc3)n2)cc1 59019190 HMFWQRSCJLSJJW-AFUMVMLFSA-N 433.512 5.261 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2ccc(C)cc2[N+](=O)[O-])cc1 100457105 KSNNXJWUIUGUIA-UHFFFAOYSA-N 429.542 5.379 30 10 IKEE CCN1C(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)S/C1=N/c1cccnc1 101124774 ABKCLRMVCBHTIQ-GKOYHKHUSA-N 449.963 5.938 30 10 IKEE CC(C)Oc1ccc(C(=O)/C(=C\c2ccccc2[N+](=O)[O-])c2nc3ccccc3o2)cc1 102724674 HCQMJDSGYZKMNP-HMMYKYKNSA-N 428.444 5.947 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\S(=O)(=O)c2ccc(C)cc2)cc1Cl 169908698 XHZBNRNYTPCJEU-BWAHOGKJSA-N 436.017 6.586 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccc(O)cc2)cc1 169958290 NOSNNSSPUUCHCJ-AREMUKBSSA-N 441.527 5.618 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2cccc(C)c2)c1 169967643 XJRWZQWIBAWLTH-RUZDIDTESA-N 441.527 5.910 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccs1 169982552 RWOPPGBPPIHBJW-FQEVSTJZSA-N 439.920 5.189 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccc(F)cc2)cc1 170062078 CGJJRPFOWRYXAR-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(C(C)C)cc1 170066108 FIMMGECVGDXAOU-JOCHJYFZSA-N 441.955 5.467 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)c(C)cc4[nH]3)[C@@H]2c2ccco2)cc1 170098797 UHYVOEHVOAUVMP-JOCHJYFZSA-N 441.487 5.118 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccc(C)o2)c1 170099910 BSRQFIGFKBRXQW-QHCPKHFHSA-N 430.504 5.054 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2ccc(C)o2)cc1 170101360 NVAHZHKLAJASTP-HSZRJFAPSA-N 431.488 5.386 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2C2CCCCC2)cc1 170114658 WUKOPGRTLXCEJY-DEOSSOPVSA-N 449.547 5.393 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2c2cccc(C)c2)c1 170140844 IOFLDDMULZOOKI-RUZDIDTESA-N 441.527 5.874 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1OC(C)C 170150853 CTJIADRYZAGUQN-NRFANRHFSA-N 427.928 5.506 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1cccs1 170156503 LURDDHVZZGGLOD-NRFANRHFSA-N 433.529 5.465 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)(C)C)c2)[C@@H]1c1cccnc1 170195184 UWDDUNIQFFXCQK-QFIPXVFZSA-N 436.552 5.156 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@@H]1c1cccc2ccccc12 170220919 ORJKSDZLLOVQRR-VWLOTQADSA-N 443.543 5.844 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccccc1)c1ccc2c(c1)CCCC2 170222713 IONISWZSQRWBRP-XMMPIXPASA-N 427.475 5.487 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccc2)cc1C 170224127 PXSSYMDQOQSYBQ-XMMPIXPASA-N 427.500 5.485 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(Cl)c3)[C@@H]2c2ccccc2)cc1 170224867 LUIUNIMEXISNEI-QFIPXVFZSA-N 449.890 5.140 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1C 170226686 KHSAHBIQSIYPRZ-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccccc2)cc1Cl 170228091 HHHMNQJGFQDNMB-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccccc1)c1ccc(Cl)c(Cl)c1 170231216 ZNGCFGIQKJGHOX-FQEVSTJZSA-N 439.298 5.167 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccc(O)c2)ccc1Cl 170259117 HYMLEHLFMJMXJF-QFIPXVFZSA-N 449.890 5.227 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cc(Cl)ccc3OC)=C(O)C(=O)N2c2ccccc2)cc1 170265309 XNQJNLSVGZVMBP-HSZRJFAPSA-N 447.918 5.694 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1C 170274180 FCUKEISBIYEKJB-XMMPIXPASA-N 443.543 5.972 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccc(C)o2)c1 170305756 TYSLRZULPGYHPW-OAQYLSRUSA-N 439.414 5.048 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1c1ccccc1O 170314675 MOXSXOYEDJHQRH-JOCHJYFZSA-N 441.508 5.698 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@@H]1c1cccc(OCCC)c1 170323459 IOCKMTUHGWJXTH-QFIPXVFZSA-N 441.499 5.002 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)[C@@H]1c1ccc(F)cc1)c1ccncc1 170377764 WZDMXMQXPWCLNE-LJQANCHMSA-N 442.368 5.022 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(N(C)C)cc2)cc1 170452103 OZUCYUKPMIBZTA-QHCPKHFHSA-N 449.595 5.114 30 10 IKEE C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC/C(C)=C/Cn1c[n+](C)c2ncnc(NO)c21 208702161 DPKZZZXQPZKTGJ-XGBZQHFCSA-N 438.640 5.582 30 10 IKEE O=S(=O)(c1ccc(N=Cc2c(O)ccc3ccccc23)cc1)N1CCc2ccccc21 254685710 MHCNBNAVEQKDDR-UHFFFAOYSA-N 428.513 5.047 30 10 IKEE CCOC(=O)c1cc2c(nc1C)-c1ccccc1C2=Nc1ccc2c(c1)Cc1ccccc1-2 254836444 LBSYYJRAQHJKTH-UHFFFAOYSA-N 430.507 6.287 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(Cl)cccc1Br 407257748 QHPXOLBGLKCSEH-NVXWUHKLSA-N 431.802 5.613 30 10 IKEE CC(C)COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(F)cc2)cc1 526490148 ZTORBKBBRQRYNH-RUZDIDTESA-N 442.490 5.789 30 10 IKEE CCOc1ccc([C@@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1Cl 526492099 UCDKVEYQNIDMPD-XMMPIXPASA-N 444.918 5.976 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(C)o2)cc1Cl 526522156 PPOYWFISDNHDOG-JOCHJYFZSA-N 434.879 5.569 30 10 IKEE CC(C)COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccnc2)cc1 526604917 MBXHEVJSPFUYNE-DEOSSOPVSA-N 425.488 5.045 30 10 IKEE COc1ccccc1[C@@H]1C(c2cccc3ccccc23)=C(O)C(=O)N1c1ccccc1C#N 526609492 FRSMONBQPXIYDY-AREMUKBSSA-N 432.479 5.777 30 10 IKEE COc1ccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccc(C)cc2)cc1 526805793 SHKJTMQMNOIWNN-IMRQLAEWSA-N 442.588 5.555 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccc(N(C)C)cc1 526808554 PBGOJNJARURGAU-IWIPYMOSSA-N 428.005 5.515 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1ccc(Cl)cc1 526815526 ZXOWFPGUKBQAMB-YVNNLAQVSA-N 425.772 5.975 30 10 IKEE Cc1nnc(SCc2ccccc2Cl)n1/N=C\c1cc(Cl)c(O)c(Cl)c1 526816369 FCHFDQOFXNDEHT-WNFQYIGGSA-N 427.744 5.427 30 10 IKEE Cc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1c(O)ccc2ccccc12 526817811 ZHHNJCMGIIYQRS-MYKKPKGFSA-N 426.904 5.412 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1ccc(N(CC)CC)cc1 526818815 BJITXDKYLRVYST-IMRQLAEWSA-N 449.668 6.258 30 10 IKEE O=C(NCC#Cc1ccccc1C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 585240372 OVVHNDRAJSZBCV-UHFFFAOYSA-N 439.277 5.525 30 10 IKEE Cc1cc(C)c([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)cc1C 698455062 BOVAKRYZMHPMOF-FQEVSTJZSA-N 429.358 6.381 30 10 IKEE CC(C)(C)OC(=O)N(CCN=[N+]=[N-])[C@H](C#N)c1ccc(Br)c2cccnc12 698965171 OSQPOIPGFHHTLQ-OAHLLOKOSA-N 431.294 5.109 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCN(C(=O)OC(C)(C)C)CC2)cc1 704044307 RMGUMWVOWUBITC-XMMPIXPASA-N 429.561 5.420 30 10 IKEE O=C1/C(=C\c2ccc(Br)cc2)SC(=Nc2ccccc2)N1C1CCCCC1 1084214765 YEPOMVOZKCOTOD-HJFHBGSISA-N 441.394 6.386 30 10 IKEE COc1cc(C=Nc2ccc(Cl)c(Cl)c2)ccc1OCc1cccc(C(=O)O)c1 1084317812 SVDNSIYQYSOKBE-UHFFFAOYSA-N 430.287 6.030 30 10 IKEE COc1ccc(NC(=O)c2oc3c(c2C)C(=NNc2ccccc2)CC(C)(C)C3)c(OC)c1 1772729497 QTZHXCZNICRAPQ-UHFFFAOYSA-N 447.535 5.646 30 10 IKEE Cc1ccc(N=C2S[C@@H](CC(=O)c3ccc(Cl)cc3)C(=O)N2c2ccc(C)cc2)cc1 1772760136 SUVBXPKXSKAOOD-QHCPKHFHSA-N 448.975 6.366 30 10 IKEE N#CCc1cc(-c2cccc(OC(F)(F)F)c2)cnc1-c1cccc(OC(F)(F)F)c1 1848361905 QFUQSPVXNQXKNM-UHFFFAOYSA-N 438.327 6.279 30 10 IKEE Cc1ccc(CCC(=O)Oc2cccc3c(NC(=O)c4cccc(C#N)c4)cccc23)cc1 1858930079 QXUQNMPVOQMJKG-UHFFFAOYSA-N 434.495 5.810 30 10 IKEE C=CCN(CC=C)C(=O)Oc1cccc2c(NC(=O)c3ccc(F)c(F)c3F)cccc12 1858951398 GZMFESVNOTYEHP-UHFFFAOYSA-N 440.421 5.682 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)O[C@@H](C)C(=O)OC2CCC(C(C)(C)C)CC2)c1 1859883699 YLOQSAZIWJXYQY-NLMOZGTASA-N 429.601 6.218 30 10 IKEE Cc1sc(-c2ccccc2)nc1-c1ccc2c(c1)oc(=O)n2C(=O)c1cccc(C#N)c1 1860478857 OKCLXGBEFLOJDC-UHFFFAOYSA-N 437.480 5.254 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2cccc(O)c2)cc1C 1862401078 SWTCUYKORMLEAG-DEOSSOPVSA-N 447.531 5.178 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccccc1 1862401180 VPAPPSRGNVLWEY-DEOSSOPVSA-N 435.564 5.942 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc3cc[nH]c3c2)cc1C 1862407755 VQPWUICROLNOJT-QHCPKHFHSA-N 432.520 5.109 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@@H]2c2ccccc2)cc1 1862413027 TXHVNLQHGCVSMX-QHCPKHFHSA-N 433.454 5.094 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(F)cc1F 1862416705 JIFPZMYXVKTMHL-RHZWSATBSA-N 447.428 5.400 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862444632 CNIYCOGPFPEYOR-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2F)cc1 1862474904 YITNGRAQOABMTK-CJAUYULYSA-N 443.518 6.036 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCOc3cc(C)cc(C)c3)[C@@H]2c2ccccc2)cc1 1862475012 AXZBYUBTGOSUQM-RUZDIDTESA-N 441.527 5.269 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 1862479803 QERYNRBHBFJCSD-XMMPIXPASA-N 431.576 6.204 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc(C)cc2)cc1 1862516007 XJTQDRYOTUGOEZ-CYSDGLOUSA-N 447.575 5.941 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccccc2F)cc1 1862530618 UQLGNQPFPYUSNO-OSPHWJPCSA-N 429.491 5.728 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccccc2Cl)cc1 1862535482 CXRKNAHRXUXACA-JOCHJYFZSA-N 432.907 5.076 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C2CCCC2)cc1 1862565809 GXCQSYRLMNYPGA-XMMPIXPASA-N 448.563 5.359 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@@H]1c1ccccc1Cl)c1cccc(O)c1 1862594914 JHWGBVKVSWZOBT-JOCHJYFZSA-N 437.923 5.514 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1cccc(Cl)c1 1862640781 MBYPJZVLZKTBFI-OAQYLSRUSA-N 445.918 5.646 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1cccc2ccccc12 1862656085 VXWMBEBZIUEMOM-OAQYLSRUSA-N 438.310 5.887 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@H]1c1ccc(F)cc1F)c1ccc(F)cc1 1862675341 IHCZVFIVNSJDBP-QFIPXVFZSA-N 441.449 5.573 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1cccc(F)c1)c1ccc2ccccc2c1 1862715341 MDLSBADNXDYYQE-VWLOTQADSA-N 443.518 6.280 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2Cc2ccco2)c1 1862722044 MINCWLIHDLZZGK-AREMUKBSSA-N 449.506 6.034 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccccc1Cl 1862725991 WOYCGXGECQCRIU-MZNJEOGPSA-N 445.946 6.384 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2F)=C(c2cccc3ccccc23)C1=O 1863218627 IAXPVPGAOYPIJS-UHFFFAOYSA-N 444.550 6.531 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCC(C)C)=C(c2ccc(NC(C)=O)cc2)C1=O 1863545661 IKDSAICHWNBGFU-UHFFFAOYSA-N 441.616 5.111 30 10 IKEE CCCCCCCCNC1=C(c2ccc(C)c(C)c2)C(=O)N(Cc2ccccc2OC)C1=O 1863601036 YRBXPDSISGDJSH-UHFFFAOYSA-N 448.607 5.542 30 10 IKEE C=CCN(CC=C)c1cc(N2CCN(CC(C)(C)C)CC2)nc(-c2ccc(Cl)cc2)n1 1869252399 RXMLJIMDRZCNRU-UHFFFAOYSA-N 440.035 5.144 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N2C[C@@H](C)C[C@@H](C)C2)nn1-c1cccc(Cl)c1 1870017913 NXUQXBSTKFTXGW-KDURUIRLSA-N 446.039 6.092 30 10 IKEE CCCCCCCOc1cn(CCc2ccc(C)cc2)c(CSc2ccccc2)cc1=O 1870251976 ZNSVLAROHNFJCL-UHFFFAOYSA-N 449.660 7.041 30 10 IKEE CCCCC[C@@H](CC)N1COc2ccc3c(c2C1)O/C(=C\c1ccc(C(C)(C)C)cc1)C3=O 1871347606 KPPNQFZKIFQPKS-FXTYVIBOSA-N 447.619 7.111 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)CCOc4ccccc4)ccc3C2=O)cc1 1871383966 JHCBUHXDJJDVPX-JLPGSUDCSA-N 430.456 5.076 30 10 IKEE CC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)c1 1871390405 UXTUSIQKRFIZSR-MXAYSNPKSA-N 442.467 5.571 30 10 IKEE CC(C)=C1Oc2cc(O[C@@H](C)C(=O)Nc3ccc(Br)cc3)cc(C)c2C1=O 1871410336 YKIBHNBSWVCTQW-ZDUSSCGKSA-N 430.298 5.033 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OCC(=O)Nc3cccc4ccccc34)ccc2C1=O 1871452518 JPPWLBNOFOKVTP-UCQKPKSFSA-N 441.508 5.843 30 10 IKEE CCOc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871452555 RTKSWKDBMIAYHT-UCQKPKSFSA-N 447.462 5.167 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1cccs1)C2=O 1871457612 PTFXPTMIIPUIOX-JAIQZWGSSA-N 439.920 5.652 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1cc(C)ccc1C 1871755170 OQKMPSIKZZHRCJ-HSZRJFAPSA-N 442.625 5.232 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)c(Cl)c1)[C@H](C)CC)S(=O)(=O)c1ccccc1 1871810136 ATFITTJUKVXETM-VGOFRKELSA-N 449.016 5.269 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Nc2ccccc2)cc1)[C@@H](C)CC)S(=O)(=O)CC 1872157004 FHYNAWACFPJOGU-WMZHIEFXSA-N 443.613 5.011 30 10 IKEE CCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1 1872783866 JTOJZYKJQJIAGL-KRWDZBQOSA-N 426.925 5.669 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3Br)n2)c(OC)c1 1872784643 WIGZXIQRHNVEBR-OAHLLOKOSA-N 443.322 5.080 30 10 IKEE COc1cccc(OC)c1C(=O)[C@H](C#N)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872788215 XGDVNHBWKWIEEF-ZDUSSCGKSA-N 433.316 5.624 30 10 IKEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)N(CCCC)CCCC)cc2[nH]1 1872800942 ODTBACUKCZRSOY-UHFFFAOYSA-N 435.568 5.749 30 10 IKEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2[nH]1 1872806179 ZHTSSCBTSQNDCP-SFHVURJKSA-N 427.504 5.198 30 10 IKEE CCCCCCCCCCNC1=C(c2cccc(OC)c2)C(=O)N(C2CCCCC2)C1=O 1873043928 QSSQQNHJBJYDHQ-UHFFFAOYSA-N 440.628 5.838 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc3nc[nH]c3c2)=C(c2cccnc2)C1=O 1873265565 QGROKXFFHPBHCP-UHFFFAOYSA-N 445.567 5.291 30 10 IKEE C=CCOc1ccccc1OCc1nc2ccccc2n1CC(=O)Nc1ccc(C)cc1 1873517052 JOINKPAMPGPENQ-UHFFFAOYSA-N 427.504 5.127 30 10 IKEE CCCCCCCCNC(=O)c1cc(-c2ccc(OC)cc2)n2nc3ccccc3c2n1 1873886187 KZZQFFWQQHDVDB-UHFFFAOYSA-N 430.552 5.648 30 10 IKEE CCSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1cccc(F)c1 1874204472 DTERZZOOJDJJDM-LSHDLFTRSA-N 425.316 5.297 30 10 IKEE CCCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(OC)cc1OC 1874270373 SLXUXLDIBFXUSN-YZSQISJMSA-N 446.576 5.424 30 10 IKEE C=CCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1cccc(Br)c1 1874342863 MSVTYORIBVJBED-LPYMAVHISA-N 447.789 5.445 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1c(OC)ccc2ccccc12 1874380113 XNNRVLIJCWRJLA-JFLMPSFJSA-N 446.551 5.720 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cc(C)ccc3C)n2/N=C/c2ccncc2)cc1 1874389114 HMFRSRBJSFMADK-JVWAILMASA-N 427.577 5.364 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2ccccc2C(=O)O)c1 1874415685 CLEHYCGTHVADRC-WGOQTCKBSA-N 442.544 5.050 30 10 IKEE CCCCOc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCCC)cc1OC 1874418623 ZJJDCTAJRDNPFE-XIEYBQDHSA-N 438.597 5.441 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2cccs2)cc1 1874422589 UNTBYWGUPYIGDK-KOEQRZSOSA-N 448.617 6.360 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2C2CCCC2)c(OC)c1 1874454885 ZSSPYCIOSLBZBZ-AFUMVMLFSA-N 440.544 5.267 30 10 IKEE FC(F)(F)c1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccccn1 1874462928 LHRUQGIEOHETRJ-LIMNOBDPSA-N 432.258 5.173 30 10 IKEE COCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc(C(C)C)cc1 1874473692 RHZLJRDRBPSDJF-ZVHZXABRSA-N 428.989 5.418 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccc(F)cc1F 1874508628 NLHPQKLIWUKVMU-YSURURNPSA-N 441.334 5.990 30 10 IKEE Clc1ccccc1CSc1nnc(C2CC2)n1/N=C/c1cccc(Br)c1 1874519759 KNRPRRKMOJIRFX-SSDVNMTOSA-N 447.789 5.746 30 10 IKEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1c(F)cccc1Cl 1874533678 WHLZKCUOQBLKOT-GZIVZEMBSA-N 429.735 5.860 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Br)ccc2OCc2ccc(C)cc2)cc1 1874572769 DRJQFBZJEZPHSU-WYMLVPIESA-N 435.361 6.795 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2c(OCc3cccc(F)c3)ccc3ccccc23)cc1 1874579994 RVKGQKOABGYRPF-FOCLMDBBSA-N 440.514 7.243 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1c(OCc2ccccc2Cl)ccc2ccccc12 1874581508 QXCHUXWOGMRCFG-BUHFOSPRSA-N 442.942 7.285 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)c1OCc1cccc(F)c1 1874589079 RPOFCLUSXHKKJQ-ZHACJKMWSA-N 440.898 6.280 30 10 IKEE CCCOC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1cc(C)c(OC)cc1C 1874590489 DBXTTZHYIVWQLS-VAWYXSNFSA-N 432.516 5.693 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)c1OCC(=O)OCC(C)C 1874590627 PAEJLLIOIPEKMJ-WYMLVPIESA-N 438.564 5.775 30 10 IKEE CCc1ccc(NC(=O)COc2cc(/C=C/C(=O)c3cccc(Cl)c3)ccc2OC)cc1 1874595248 BJDZUQNKLGDDAQ-UKTHLTGXSA-N 449.934 5.825 30 10 IKEE C=C(C)COc1c(Br)cc(/C=C/C(=O)c2cc(C)ccc2OC)cc1OCC 1874619819 UWIXTNNGJDPTGH-CMDGGOBGSA-N 445.353 6.016 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OCC(=O)Nc1c(C)cccc1C 1874625764 VEGHEAWIALGHIK-RIYZIHGNSA-N 447.506 5.755 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Br)c(OC)c(OCC)c2)c(OCC)c1 1874632225 REEFCHSKMKAQJN-DHZHZOJOSA-N 449.341 5.550 30 10 IKEE C=C(C)COc1c(OCC)cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc1[N+](=O)[O-] 1874636535 FRAKXZYFWBWWLQ-CMDGGOBGSA-N 425.481 5.470 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(CC)cc3)c2)cc1 1874695798 SJUPOCULLFKGND-LDADJPATSA-N 442.555 6.716 30 10 IKEE Cc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3cccc(Br)c3)c2)cc1C 1874697738 NELDZWPKJQCPLI-ZRDIBKRKSA-N 435.317 6.181 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cccc(OC(=O)CCCOc2cccc(C)c2)c1 1874698936 VPVJDPKCEYMYBP-FOCLMDBBSA-N 430.500 5.664 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1cncc(C)c1 1875098208 XWMXCHKRCAMFKW-XYOKQWHBSA-N 441.527 5.783 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cc(C)ccc3C)c(OC)c2)cc1 1875102059 XMFLVFWBZILMIL-GXDHUFHOSA-N 428.528 5.919 30 10 IKEE O=C(Cc1ccc(Cl)c(Cl)c1)Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1 1875111859 RBNLIGASMAGWDM-XYOKQWHBSA-N 445.729 6.691 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2Cl)c1 1875116815 UJPMULRKBOGOHO-YCRREMRBSA-N 435.863 5.980 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC(=O)c1cc2ccccc2n1C 1875123935 LFGUYEFBOIYUBN-YRNVUSSQSA-N 447.437 5.580 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3[nH]c4ccc(C)cc4c3C)c(Cl)c2)cc1 1875133323 PDBQAMSYJHIJPR-KPKJPENVSA-N 443.930 6.862 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(OC)ccc2OC)ccc1OC(=O)CCCSC 1875147503 WVQFGWRMNGBGFN-DHZHZOJOSA-N 444.549 5.047 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3)c(Cl)c2)cc1 1875148628 RBRVUHSNLQNTIA-CXUHLZMHSA-N 446.974 7.072 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2OC)cc1 1875156615 DFOCSECTHFLYHC-OMCISZLKSA-N 444.527 6.333 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3)c(OC)c2)c(OC)c1 1875177934 NSEZINNFQCWUMF-NTEUORMPSA-N 446.499 5.147 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)[C@H]2CCCO2)c(Cl)c1 1875184380 VPFOIFMNYHWGJF-OXHGWOFKSA-N 426.940 5.926 30 10 IKEE Cc1ccc(CN(Cc2ccccc2)[C@H](C)c2cccs2)cc1B1OC(C)(C)C(C)(C)O1 1915406752 JOIGMDZYMNEFNO-OAQYLSRUSA-N 447.453 6.119 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@@H]1Nc1ccc(C#N)c(Br)c1 1924922758 WGHHZQUIZHIIIL-CRAIPNDOSA-N 434.378 5.206 30 10 IKEE CC(C)(C)OC(=O)NC1CC2(C1)CC(C#N)(N(C(=O)OC(C)(C)C)C1CCCCC1)C2 2007655133 BPCMUONLBLLOJU-UHFFFAOYSA-N 433.593 5.286 30 10 IKEE CC(C)(C)OC(=O)NCc1ccc([C@](C)(C#N)N(CC2CC2)C(=O)OC(C)(C)C)cc1 2014212645 AEEWSQCIBHORBL-DEOSSOPVSA-N 429.561 5.097 30 10 IKEE C=CCCCCCCCCC[C@@H](O)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2026312832 JTAHRFDIGJMJAJ-RUZDIDTESA-N 431.661 7.262 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)Cc1ccc(Cl)c(Br)c1F 2047991172 ULKJNOAJKKWBMD-KBPBESRZSA-N 436.749 5.005 30 10 IKEE C=CC1(C[C@H](NCCC)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)CCC1 2049034469 BRQLRZCJMLCXFK-WNCULLNHSA-N 441.660 5.270 30 10 IKEE CC[C@H](C)N(Cc1ccccc1)c1ncc(C(F)(F)F)cc1B1OC(C)(C)C(C)(C)O1 2052608262 HEERLIQWIVKRRS-INIZCTEOSA-N 434.311 5.205 30 10 IKEE N#Cc1c(C2CCCCC2)nn2c(Cl)cc(-c3cc(Br)ccc3F)nc12 2081162510 AQGATRBSWNIZFL-UHFFFAOYSA-N 433.712 5.871 30 10 IKEE CC(C)(C)OC(=O)N1[C@@H](CNc2cc(Br)cc(F)c2C#N)CCC1(C)C 2131948063 TZRAGGSUVOCGFL-CYBMUJFWSA-N 426.330 5.050 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Cl)cc(Br)c1 2136650633 BKTUYFCJSLIBIU-ROUUACIJSA-N 443.813 5.450 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2cc(O)ccc2Br)cc1 2144514987 UYWKIUNBURLBBM-SFHVURJKSA-N 433.302 5.170 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)C[C@H]2CC(F)(F)C[C@H]2C1 2160213544 HARNPDUORPJSMU-HBCWATKFSA-N 441.316 5.908 30 10 IKEE N#Cc1c(F)cc(Br)cc1Oc1cc(Cl)c(Br)cc1Cl 2163686426 QEDOTQAQEVKEFK-UHFFFAOYSA-N 439.893 6.321 30 10 IKEE Cc1cc(C(=O)Nc2ccc(C#N)cc2Br)ccc1NC(=O)OC(C)(C)C 2181132977 MVAWAUPQADNXQV-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE C=CCC1([C@H](NCCC)c2ccc(Br)cc2F)CN(C(=O)OC(C)(C)C)C1 2192215794 MVJILFKPVQNASG-GOSISDBHSA-N 441.385 5.442 30 10 IKEE Brc1sc(C[C@@H]2CCC[C@H]3O[C@@H]23)c(Br)c1Br 2212264686 CITCWAGKZGISBF-ZTNVNUCQSA-N 430.987 5.146 30 10 IKEE Cc1cc(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)cc(C)c1NC(=O)OC(C)(C)C 2232335037 PZBGBJBATWMSDP-UHFFFAOYSA-N 440.349 5.137 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)C(C)(C)[C@H](C)NC(=O)OC(C)(C)C 2235722835 GKDUHMNYPUDJMO-QFBILLFUSA-N 437.422 5.108 30 10 IKEE CC1(C)OB(c2ccc(C(=O)N(Cc3ccccc3)C3CCCC3)c(Cl)c2)OC1(C)C 2255952988 BMWHHKYXFNAWFL-UHFFFAOYSA-N 439.792 5.224 30 10 IKEE C=C1C[C@H]1C[C@H](OCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2275878701 QRDBMROWVOPIRU-AHWVRZQESA-N 444.527 5.953 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)C#Cc1ccccc1Cl 2277863561 NFYDUWMQGATXGN-UHFFFAOYSA-N 434.717 5.684 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2c(Br)cccc2C#N)C[C@@H]2CCCC[C@H]21 2285155360 FMXSRTPBSHJZFK-QILLFSRXSA-N 434.378 5.301 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Cl)c1cc(Br)c(Br)s1 2295210847 DBUHCFUIOJVRAY-ZDUSSCGKSA-N 433.596 5.629 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@H](CC(C)C)NC(=O)OC(C)(C)C 2296218556 FRIRYOBESRTCOF-UXHICEINSA-N 437.422 5.108 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H](C)CCCNC(=O)OC(C)(C)C 2296265898 CITPHPAHLKLDGV-FXAWDEMLSA-N 437.422 5.110 30 10 IKEE COc1ccc(C=C2CCc3ccccc3C2=O)cc1COc1ccc([N+](=O)[O-])c(C)c1 2297316090 KKRCBYMADURPBY-UHFFFAOYSA-N 429.472 5.703 30 10 IKEE O=C1C(=Cc2c(F)cccc2Cl)SC(=S)N1N=Cc1c(F)cccc1Cl 2297364231 AEVRAICOCQWWTI-UHFFFAOYSA-N 429.300 5.507 30 10 IKEE CCCCN1C(=O)C(=C2Sc3ccc(OC)cc3N2C)SC1=Nc1ccccc1C 2297550092 RSWJBZHXCCEBMG-UHFFFAOYSA-N 439.606 5.778 30 10 IKEE C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)C(=Cc3ccc(C(F)(F)F)cc3)C[C@@H]12 2297733545 UELTYJDTQILMTO-QSZUEJIDSA-N 446.553 6.671 30 10 IKEE CC1=CC(=O)C(=C(C)Nc2ccccc2N=Cc2c3ccccc3cc3ccccc23)C(=O)O1 2312587518 GCOKEYNYSCEDMW-UHFFFAOYSA-N 446.506 6.459 30 10 IKEE CCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1N=Cc1ccc(C(C)C)cc1 2321059074 VEGJTDASMBQVEE-UHFFFAOYSA-N 435.597 5.194 30 10 IKEE Sc1nnc(-c2cccs2)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2321908008 FZRGBSWLJNUHOI-UHFFFAOYSA-N 426.954 5.410 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc4c3CN(CCc3ccc(F)cc3)CO4)C2=O)cc1 2321935025 PKMWOPIRVIVCHB-UHFFFAOYSA-N 445.490 5.235 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc3c2CN(Cc2ccccc2OC)CO3)C1=O 2321993745 QBQVBQSZPYKLFH-UHFFFAOYSA-N 443.499 5.062 30 10 IKEE Cc1ccc(CN2COc3c(cc4c(c3C)OC(=Cc3c(F)cccc3Cl)C4=O)C2)cc1 2322307569 GRDALMRTIGRWDW-UHFFFAOYSA-N 449.909 6.064 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cccc(OCC(=O)Nc2ccccc2F)c1 2323260497 NRISJMKTMJYKHL-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)c4cccc(Oc5ccccc5)c4)ccc3C2=O)c1 2323559748 MUESSMUMEXKCAQ-UHFFFAOYSA-N 448.474 6.623 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)ccc1OCC(=O)Nc1ccccc1 2323620226 LBZVVSWDCUFEQO-UHFFFAOYSA-N 435.907 5.652 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)CC1 2323651036 QZCDMYAISGSKBB-UHFFFAOYSA-N 438.951 6.858 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)c([N+](=O)[O-])c2)c(C)c1 2323858197 QIIFTASYYXWTSA-UHFFFAOYSA-N 448.450 5.264 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1cccc(C)c1 2323890010 XBWRAGNCHORUAE-UHFFFAOYSA-N 441.354 7.176 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1C 2323895889 GKMOCDNQHACLTG-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(C=CC(=O)c3cc(C)cc(C)c3OC)cc2)cc1 2324358628 SBYNPLHHUPWHQY-UHFFFAOYSA-N 443.543 5.788 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OCc3cccc(Cl)c3)cc2)c1 2324383534 WHUAFGRVTVKAOZ-UHFFFAOYSA-N 436.935 6.613 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)ccc1OCCc1ccccc1 2324672590 BLNXRAOUTKKYJK-UHFFFAOYSA-N 427.327 6.520 30 10 IKEE Cc1c(OC(c2ccccc2)c2ccccc2)ccc2c1OC(=Cc1cccc(F)c1)C2=O 2325216335 LPLNAELJIFPHPY-UHFFFAOYSA-N 436.482 6.919 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(C(=O)O)cc1 2325565215 QEWNYTYDWIRLHS-UHFFFAOYSA-N 430.533 5.257 30 10 IKEE CCOc1ccc(C=Nn2c(CC)nnc2SCc2cccc(Cl)c2)cc1OC 2325610223 BHLJMBLULGPFBY-UHFFFAOYSA-N 430.961 5.076 30 10 IKEE COc1ccc(CCOc2ccc3c(c2C)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)cc1 2325631727 PGPKMNOSPMNAJB-UHFFFAOYSA-N 431.444 5.150 30 10 IKEE CCCOc1ccc(C=CC(=O)C(=O)Nc2ccc(Br)cc2C)cc1OCC 2325648669 AHOXZHJAZMATFX-UHFFFAOYSA-N 446.341 5.166 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)COc3ccccc3OC)c2)cc1 2325704456 FSKQVBRDNYDOSZ-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2sccc2C)C3=O)cc1Cl 2325729193 LPLTVHFMSCSZOH-UHFFFAOYSA-N 439.920 5.652 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OC(=O)c1ccc(C(C)(C)C)cc1 2325739996 NNHBTYAXOXTWFW-UHFFFAOYSA-N 442.555 6.725 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)ccc2OC)cc1OC(=O)c1ccccc1F 2325779750 NXAIZWYISXHCBA-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE CCCOc1ccc(C=Nn2c(CCC)nnc2SCc2ccccc2F)cc1OC 2326272270 GOYHYWMZLXJBEQ-UHFFFAOYSA-N 442.560 5.342 30 10 IKEE CCOc1ccc(C=Nn2c(CCCOc3c(C)cccc3C)nnc2SCC)cc1 2326380032 GMQYHHUFHDYCMW-UHFFFAOYSA-N 438.597 5.299 30 10 IKEE COc1ccc(C=Nn2c(C)nnc2SCc2cccc(Cl)c2)cc1OC(C)C 2326467665 UXMNMDQIOWWPGA-UHFFFAOYSA-N 430.961 5.210 30 10 IKEE CCSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1ccc(Cl)cc1Cl 2327175127 JMFREVRXWILYTN-UHFFFAOYSA-N 449.407 5.899 30 10 IKEE CSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc(Br)cc1 2328003419 OZKBQICVMQQILT-UHFFFAOYSA-N 435.778 5.083 30 10 IKEE C=CCSc1nnc(CCc2ccc(OC)cc2)n1N=Cc1cccc2ccccc12 2328579859 FLGJCDMANIOGCH-UHFFFAOYSA-N 428.561 5.385 30 10 IKEE C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC(=Cc1ccc3ccccc3c1)C2=O 2328656287 MZMAMZPVTPPOEE-GPPMMCNHSA-N 426.600 6.726 30 10 IKEE Fc1ccc(CSc2nnc(CCCOc3ccccc3)n2N=Cc2ccco2)cc1 2328721926 WXEXSZVYWRWLGM-UHFFFAOYSA-N 436.512 5.196 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(Cl)cc3)n2N=Cc2cccc(C)c2)cc1 2329065474 SJNUXZZXVPATJB-UHFFFAOYSA-N 447.007 6.314 30 10 IKEE COc1ccccc1C=Nn1c(CCc2cccs2)nnc1SCc1cccc(C)c1 2329639326 ZVRRKCXCHQBCIG-UHFFFAOYSA-N 448.617 5.616 30 10 IKEE C=C(C)CSc1nnc(Cc2cccs2)n1N=Cc1ccc(N(CC)CC)cc1 2330389762 NLKINIPNKNRDSW-UHFFFAOYSA-N 425.627 5.327 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1OC 2330649284 RHBQDAMBCDJUFZ-UHFFFAOYSA-N 439.508 6.156 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3ccccc3C)cc2)cc1 2330741174 OLHHONNGAORMIN-UHFFFAOYSA-N 428.528 6.218 30 10 IKEE COc1ccc(OC)c(C=Nn2c(SCc3cccc(F)c3)nnc2C2CCCC2)c1 2331048862 AVAUOPRLUKJYJK-UHFFFAOYSA-N 440.544 5.267 30 10 IKEE Clc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2-c2ccco2)cc1 2331225269 AWSKSFOBXYLQHX-UHFFFAOYSA-N 429.332 6.019 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 2331236618 MWKMDWQBFJUJPD-UHFFFAOYSA-N 444.571 6.330 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Cl)c(Cl)c1 2331239086 NUUOFLGBYIECKH-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)c1ccccc1Cl 2331326826 UHGYDZSSACRFOC-UHFFFAOYSA-N 434.919 6.471 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 2331411104 NXTKPWOQRGVWRO-UHFFFAOYSA-N 429.472 6.008 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 2331412557 JJLKELFVZZRFFQ-UHFFFAOYSA-N 440.583 7.397 30 10 IKEE O=C(Cc1ccc(Cl)cc1)Oc1ccc(C=CC(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 2331527563 HSDPXRUHDMQKJA-UHFFFAOYSA-N 439.826 5.432 30 10 IKEE Cn1cc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CCC2)c2ccccc21 2331541628 QJOZCWGGKDDODW-UHFFFAOYSA-N 435.984 5.865 30 10 IKEE CC(C)c1nnc(SCc2cccc3ccccc23)n1N=Cc1ccccc1C(=O)O 2331705796 MRJUPXIMMNLOKR-UHFFFAOYSA-N 430.533 5.427 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)ccc1OC(=O)C(F)(F)F 2331759114 LCAPCSXEIFBXMR-UHFFFAOYSA-N 428.790 5.029 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)ccc1OC(=O)C1CCC1 2331814818 URBHFKLDUMNAAS-UHFFFAOYSA-N 435.303 5.612 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)CCCSC)c(Cl)c2)cc1C 2331847448 BXUJJUKMYLYJLF-UHFFFAOYSA-N 432.969 5.910 30 10 IKEE CC(C)(C)c1ccc(C=CC(=O)Nc2c(C#N)nnn2Cc2cccc3ccccc23)cc1 2332148161 KCCDLQRVXFPPHH-UHFFFAOYSA-N 435.531 5.301 30 10 IKEE C=CCC(CC=C)[C@@H](N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2338699575 OVRTWWQMYQVGKY-WDYNHAJCSA-N 443.587 5.974 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1ncc(C(F)F)s1 2343569199 IVUBPYDCWYXLED-LBPRGKRZSA-N 444.301 5.850 30 10 IKEE CCCCOc1ccc(/C=N/Nc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)n2)cc1 6480837 DYLYMOZKIYGEOH-VUTHCHCSSA-N 440.522 6.575 30 10 IKEE CC1(C)C[C@@](C)(c2ccc(Cl)cc2)c2cccc3c2N1C(=O)/C3=N\c1ccc(F)cc1 12406307 BNXHYJGYFILIDX-HVCOVSINSA-N 432.926 6.435 30 10 IKEE CSc1ccc([C@@H]2N=C(Nc3nc4ccccc4o3)NC3=C2C(=O)CC(C)(C)C3)cc1 17098075 YJHYTFGYTDZNAW-NRFANRHFSA-N 432.549 5.305 30 10 IKEE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccn1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 18199858 FWIDXZPEWAYOTL-NSYGIPOTSA-N 438.556 5.595 30 10 IKEE O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@@H](c1cccc3ccccc13)Nc1ccccc1N2 20885686 ONRXGPTXKMIGMC-AFJIDDCJSA-N 434.514 6.958 30 10 IKEE CCc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2[N+](=O)[O-])cc1 21221855 WKNXZADKFZZMJR-WINIVTDRSA-N 439.515 6.137 30 10 IKEE COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)c1OC 21245195 PRBZTUZTOBNENM-QLXKLKPCSA-N 444.506 5.822 30 10 IKEE COc1ccc(N/C(=N\C(=O)c2ccc(C)c(F)c2)NCCc2c[nH]c3ccccc23)cc1 32943218 WZFZZRJARPKBBR-UHFFFAOYSA-N 444.510 5.065 30 10 IKEE CCCn1cc(CN/C(=N/C(=O)c2ccccc2F)Nc2cccc(Cl)c2C)c(C)n1 32972846 FKHMUZYRQWENAY-UHFFFAOYSA-N 441.938 5.101 30 10 IKEE COc1ccc(C(=O)/C=C\c2ccc(Cl)cc2)c(OC(=O)c2ccc([N+](=O)[O-])cc2)c1 33442146 JKITYMNYIXNJLT-PQMHYQBVSA-N 437.835 5.372 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2F)cc1)c1ccc(Br)cc1 34954035 QOWVWSVKAYIBBS-VGOFMYFVSA-N 425.253 5.704 30 10 IKEE C=CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc(C)cc2)cc1 39824375 AVBMOHOCTFCIJF-RUZDIDTESA-N 437.495 5.412 30 10 IKEE CCCCc1ccc(C[C@H]2S/C(=N/N=C/c3ccc(-c4ccccc4)o3)NC2=O)cc1 39888299 HNECBFREUVWPCN-NWJFTTBMSA-N 431.561 5.453 30 10 IKEE C=C(C)C(=O)NCCCCCc1nc2ccccc2n1CCCCOc1cc(C)ccc1C 40219831 PRWOABUNORXWPL-UHFFFAOYSA-N 447.623 5.917 30 10 IKEE COC(=O)c1c(/N=C/c2cc(Cl)cc(Cl)c2O)sc(Cc2ccccc2)c1C 59460325 CWAHGKYSAGOUKQ-BHGWPJFGSA-N 434.344 6.197 30 10 IKEE C=C(C)COc1ccc2ccccc2c1[C@@H]1Nc2ccccc2C(=O)N1C[C@H]1CCCO1 66133067 IQGXRZWUWIMCQW-FQRUVTKNSA-N 428.532 5.540 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)CNc1ccc(O[C@@H](C)CC)cc1 100092389 CZHINYQIAJQLAJ-VWLOTQADSA-N 446.720 7.873 30 10 IKEE CCCCCCCOc1ccc(NC(=O)CNc2cccc(C(=O)N[C@H](C)CC)c2)cc1 100099562 WGTUKPQAWNJTRM-HXUWFJFHSA-N 439.600 5.615 30 10 IKEE CCCCCCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)CC)cc1 100442311 YFWXLBXSMAOJFH-OAQYLSRUSA-N 438.678 6.403 30 10 IKEE C=CCOc1ccc(/C=C(/C(=O)c2ccc(OCC)cc2)c2nc3ccccc3s2)cc1 102858820 BEYRWXBXCGKPOC-NKFKGCMQSA-N 441.552 6.683 30 10 IKEE COc1c(Br)cc(Br)cc1CNc1cc(C#N)ccc1Cl 127753162 PCDAWNBCEWCMQB-UHFFFAOYSA-N 430.527 5.357 30 10 IKEE CCOc1c(Br)cc(/C=N/Nc2ccc(Cl)cc2)cc1Br 169878845 VKGHGPCUPWVXSS-DJKKODMXSA-N 432.543 5.710 30 10 IKEE CCN1C(=S)N[C@H](c2cccc(Oc3ccccc3)c2)C(C(=O)c2ccccc2)=C1C 169931464 BPGOORISTJZBAT-XMMPIXPASA-N 428.557 5.887 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccc2OC)cc1 169940158 OLKKOWRWLOVSIR-QHCPKHFHSA-N 447.462 5.016 30 10 IKEE CCCCCCCCCOc1ccc(C[C@H]2[C@@H](O)C3CCN2CC3)cc1Br 169941652 CYQWCEZRXBQHRD-GMAHTHKFSA-N 438.450 5.576 30 10 IKEE CCCOc1c(Cl)cc(/C=N\Nc2nc(-c3ccccc3OC)cs2)cc1Cl 169941878 MGTVIVMPWMKLED-KSEXSDGBSA-N 436.364 6.360 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccccc2OC)cc1 169942181 WHNSYXMYMDIWGQ-RUZDIDTESA-N 441.527 5.657 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccncc2)s1 170016817 RYBUMACUVKZDGL-FQEVSTJZSA-N 433.533 5.061 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1c[nH]c2ccccc12)c1ccc(Cl)cc1 170073699 YTOGEDHRMIOZRB-QFIPXVFZSA-N 446.865 5.743 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc(F)cc2)=C(O)C(=O)N1Cc1ccc(F)cc1 170108057 LPFKUKMBIZSIRK-LJQANCHMSA-N 425.456 5.113 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccc(O)cc2)cc1Cl 170133430 HJPBWFVPQFWAKB-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2ccccc2C)c1 170142968 NVQUOTBZKJXXNF-BVZFJXPGSA-N 439.511 5.410 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(C)c2)ccc1Cl 170148473 YEANEFIZEINOBX-QFIPXVFZSA-N 439.939 5.568 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccs2)cc1Cl 170159176 QKSDDFAEWZYUTD-LJQANCHMSA-N 425.893 5.193 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccccn2)c1C 170172894 OWHSAMFOVCKRHZ-VWLOTQADSA-N 434.495 5.635 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCC)cc1 170216082 HEXRLULLTIVZOV-JOCHJYFZSA-N 425.500 5.301 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@H]1c1ccccc1 170225676 SUJSFHJGPRVOLE-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccccc1)c1ccc2ccccc2c1 170226940 DWCZPZMYFJHJLM-DEOSSOPVSA-N 439.898 6.276 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(C)cc4)[C@H]3c3ccccc3)oc12 170227280 LNSJTHMAQRWGSC-QHCPKHFHSA-N 439.467 5.533 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)c(C)c1 170238465 IPCGOEKHHMERHE-JOCHJYFZSA-N 435.426 5.065 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccc(F)cc2)cc1 170238934 KKCYIVOKLJQGCT-XMMPIXPASA-N 445.490 5.706 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccc2C)cc1C 170273280 VGFMLIXNYUZNCX-RUZDIDTESA-N 441.527 5.712 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccc(C)o1 170303651 PWDKKUHDMDSONX-FQEVSTJZSA-N 441.842 5.172 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2sccc2C)cc1C(C)C 170314884 WSNWTSUFLBOAAY-QFIPXVFZSA-N 447.556 5.971 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1sccc1C 170319378 ISCGPCDBNYTZDA-FQEVSTJZSA-N 427.566 5.612 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(Cl)cc(Cl)c2)[C@@H]1c1ccc(O)cc1)c1ccccc1 170339980 UBRAQLYUFWTLKR-HXUWFJFHSA-N 440.282 5.482 30 10 IKEE CC(C)Oc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCc2ccc(F)cc2)cc1 170474227 YZJBWQCVTGEAJI-QHCPKHFHSA-N 449.478 5.027 30 10 IKEE CCC(=NC(=O)c1cc(-c2ccc(OC(C)C)cc2)nc2ccccc12)c1ccc(C)cc1 254301401 JXILXTONSVRLIQ-UHFFFAOYSA-N 436.555 7.037 30 10 IKEE O=[N+]([O-])c1cccc(/C=C\C=Nc2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)c1 255004130 PQMQLKQXFSQCGQ-XOKODYQHSA-N 438.270 7.126 30 10 IKEE COc1c(Cl)cc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccco2)cc1Cl 526491521 PCUFRXACFDKXRZ-LJQANCHMSA-N 441.270 5.524 30 10 IKEE CCCOc1ccc([C@H]2C(c3ccc(OC)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526604554 OXBRLWKMKXLFQM-VWLOTQADSA-N 440.499 5.413 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Cl)cc2)cc1 526708777 QUBLCFAXDJSVPF-QHCPKHFHSA-N 445.946 6.420 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1/N=C\c1ccc(OC)c(OC(C)C)c1 526800443 QWBLHOOOYXULLK-XYGWBWBKSA-N 438.597 5.591 30 10 IKEE CC(C)Oc1ccc(/C=N\n2cnnc2SCc2c(F)cccc2Cl)cc1Cl 526816408 BAYVAWRZFYXILN-OPVMPGTRSA-N 439.343 5.686 30 10 IKEE CCOc1cc(/C=N\n2c(C)nnc2SCc2cc(C)ccc2C)ccc1OC(C)C 526818332 DCAFVEQWFSRLBV-QFEZKATASA-N 438.597 5.564 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)N[C@H]3CCCC[C@H]3C)C2)c1 585932070 DKANKVGQIUKARZ-PTUXOGIPSA-N 440.632 5.007 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCc2c(F)cccc21 698471869 WPJKEZFYFQRRGK-NRFANRHFSA-N 431.305 5.695 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@H]1[C@@H]1CCCCN1C(=O)OC(C)(C)C 698836514 BPKCMVZEDIZFJJ-RLSLOFABSA-N 449.636 5.732 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@](C)(C#N)Cc1ccc(Br)cc1 698855336 ZRRMMFFXZPUHHM-NRFANRHFSA-N 433.321 5.855 30 10 IKEE CC(C)[C@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 698948164 WJIOZMPIYANWDS-OALUTQOASA-N 435.540 5.256 30 10 IKEE CC[C@@](C#N)(C1CN(C(=O)OC(C)(C)C)C1)N(C(=O)OC(C)(C)C)c1ccccc1Cl 716134419 KRNOTYMLMXUOCH-HSZRJFAPSA-N 449.979 5.621 30 10 IKEE C=C1CCC(C[C@H](NCC)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)CC1 724569384 HWMSKJJQKKROQM-OYDLWJJNSA-N 430.633 5.600 30 10 IKEE Cc1ccc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2c(C)ccc(O)c2Cl)cc1 777510544 CJGUXGBSZZRFSH-UHFFFAOYSA-O 436.944 5.145 30 10 IKEE COc1ccc2ccccc2c1C=Nc1ccccc1N=Cc1c(OC)ccc2ccccc12 1083902821 MEFFYKKCYGUOJR-UHFFFAOYSA-N 444.534 7.511 30 10 IKEE CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)O[C@@H](C#N)C=C(c1ccccc1)c1ccccc1 1088677689 FSFJZCNFYYQYLV-UZKOGDIHSA-N 426.343 6.145 30 10 IKEE CC1(C)CC(=O)C(C(=O)/C=C/c2ccccc2)=C(Nc2ccc(N=Nc3ccccc3)cc2)C1 1565517623 VVCBJCWLONXDOC-DQJSDEOLSA-N 449.554 7.440 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=Nc1cccnc1 1772731361 MVCUHHLIOUIPFW-ZRQPATBQSA-N 432.461 5.040 30 10 IKEE CCN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=Nc1nc(-c2ccccc2)cs1 1772736368 KHFVSEKKLUEGSG-YIFJCWOOSA-N 425.966 6.087 30 10 IKEE COc1cccc(/C(C)=C2\SC(=Nc3ccncc3Cl)N(C3CCCCC3)C2=O)c1 1772737681 PURUORWJPKZMDG-VHDUERLVSA-N 441.984 6.070 30 10 IKEE O=C(O)c1cccc(N=C2S/C(=C/c3ccccc3Cl)C(=O)N2C2CCCCC2)c1 1772738458 VWDOLOFXXSFBPK-SKYIDQJDSA-N 440.952 5.975 30 10 IKEE Cc1cc(C)cc(NC(=S)N/N=C\c2cn(-c3ccc(F)cc3)nc2-c2cccs2)c1 1857808953 NQHQTJGWHWKJKP-MXAYSNPKSA-N 449.580 5.677 30 10 IKEE CCc1ccc(-n2cc(/C=N\NC(=S)Nc3cccc(C)c3)c(-c3cccs3)n2)cc1 1857809969 KCHDXGMQGJQETE-MYYYXRDXSA-N 445.617 5.792 30 10 IKEE N#Cc1ccc(COc2cccnc2NC(=O)Nc2ccc(Br)cc2F)cc1 1858866415 UHLFDNMKCPIISZ-UHFFFAOYSA-N 441.260 5.078 30 10 IKEE CCOC(=O)c1sc(NC(=O)c2ccc3oc(-c4ccccc4)nc3c2)c(C#N)c1C 1859736207 QIZIVEUKGPWWQO-UHFFFAOYSA-N 431.473 5.165 30 10 IKEE CCCCCCCCNC(=O)[C@H](NC(=O)c1cc(Cl)ccc1OC)c1ccccc1 1861539965 VUYVUPSPRYDJBN-JOCHJYFZSA-N 430.976 5.296 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(OCC)cc2)n(Cc2ccc(Cl)cc2)n1 1862360204 CKECQMGLCPEFFC-UHFFFAOYSA-N 435.955 5.465 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccccc1C(=O)O 1862384135 PMSGPNKCTSDNMA-BBATYDOGSA-N 448.302 5.068 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@H]2c2ccccc2)cc1 1862412481 FSMFETBVYKSPMX-VOIUYBSRSA-N 447.481 5.867 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccco2)cc1 1862450070 ZALSAHFOJLFRCB-JOCHJYFZSA-N 449.934 6.009 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccc(C)cc2)cc1 1862475006 AWCDIWNLMKPWLU-HSZRJFAPSA-N 431.919 5.735 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2[C@H](C)CC)c1 1862510928 LBDNMHXHKLRBNZ-OPAMFIHVSA-N 425.500 5.300 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(Cl)c2)cc1 1862516452 OLFWBEOFCDEWOJ-JOCHJYFZSA-N 439.939 5.650 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccccc2)cc1OC 1862576384 SWTBYXMNTMNEIW-DEOSSOPVSA-N 449.547 5.395 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862595529 NTHFKHNIDYHMAI-XMMPIXPASA-N 433.548 5.817 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(F)cc1F 1862617674 ZCUXDNIPKBEZPK-JOCHJYFZSA-N 441.518 5.887 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1cc(Cl)cc(Cl)c1 1862645138 BALPTMJCCRILIC-GOSISDBHSA-N 438.282 5.129 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1c(Cl)cccc1Cl 1862658433 QTJJPDVKBVEYDU-HXUWFJFHSA-N 426.299 5.745 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccccc1F 1862687018 FHIFJOGPJJTCKT-MBSDFSHPSA-N 439.527 5.772 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc(O)c1 1862687297 ITANNBIPBLINPV-XXBNENTESA-N 437.536 5.338 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 1862688719 ZEXBNQLFFCMEEC-XMMPIXPASA-N 445.490 5.045 30 10 IKEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccccc1Cl)c1ccc2ccccc2c1 1862712055 ISMWLLIWIKPITG-XXBNENTESA-N 447.918 5.251 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(F)cc1 1862715218 LPNAOVHEGADILP-WQWSHVPRSA-N 443.518 6.136 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cccc(C)c2)=C(c2cc(C)ccc2C)C1=O 1863397442 QJAQKFACKFPPGF-UHFFFAOYSA-N 446.635 6.945 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(C)ccc2C)=C(c2ccccc2Cl)C1=O 1863439822 KMQBMBMIVKUSQS-UHFFFAOYSA-N 438.999 6.509 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)c2ccccc2-c2ccccc2)n(-c2ccccc2)n1 1870001456 FMKYHBPDLNVHLG-UHFFFAOYSA-N 435.531 5.365 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N(CCC)CCC)nn1-c1ccccc1Cl 1870037245 ZRRZFYBZDIPGID-UHFFFAOYSA-N 434.028 6.236 30 10 IKEE N#Cc1nnn(Cc2ccc(Cl)cc2Cl)c1NC(=O)c1ccccc1-c1ccccc1 1870108340 BLRPNYZAZYAYOO-UHFFFAOYSA-N 448.313 5.424 30 10 IKEE CCCCC1CCC(C(=O)Nc2c(C#N)nnn2-c2ccc(N3CCC(C)CC3)cc2)CC1 1870153680 AUSBVYIJFGDKIV-UHFFFAOYSA-N 448.615 5.310 30 10 IKEE Cc1ccccc1-c1ccc(-n2nnc(C#N)c2NC(=O)c2c(F)cccc2Cl)cc1 1870160630 BRVFTFXEMUPJMJ-UHFFFAOYSA-N 431.858 5.159 30 10 IKEE CCCCCCCOc1cn(CCc2c[nH]c3ccccc23)c(CSCCO)cc1=O 1870251289 BGAYWKDCVDULML-UHFFFAOYSA-N 442.625 5.147 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)N(CC)CC)c(=O)cc1CN(CC)CC 1870633482 XDQMHCUVHBHUON-UHFFFAOYSA-N 449.680 5.078 30 10 IKEE CCCCCCCOc1cn(CC)c(CNc2ccc(Br)cc2C)cc1=O 1870836462 XPXFYFXYKODZJC-UHFFFAOYSA-N 435.406 5.900 30 10 IKEE C=CCn1cc(OCCCCOc2ccc(C)cc2)c(=O)cc1CNc1cc(C)cc(C)c1 1871226558 XCXUKQHYICPMIP-UHFFFAOYSA-N 446.591 5.810 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc4c3CN([C@H](C)C35CC6CC(CC(C6)C3)C5)CO4)C2=O)o1 1871349913 ANXMNZZWDIHMHS-PJEWNJIQSA-N 445.559 5.961 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(OC(C)C)cc4)c3C)C2=O)c1 1871388499 ZBKMQZYQBARNOU-IWIPYMOSSA-N 444.483 5.626 30 10 IKEE Cc1cc(O)c(CN2C[C@@H](C)O[C@H](C)C2)c2c1C(=O)/C(=C/c1c(Cl)cccc1Cl)O2 1871395291 NBFQKWBWTISMIZ-XXHSQQAKSA-N 448.346 5.233 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccc(CC)cc4)ccc3C2=O)cc1 1871411952 RRSKFLKPVKMYQD-JXYIUTTOSA-N 441.527 5.834 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 1871424276 DLHCQKHOZGYIPB-QRVIBDJDSA-N 431.463 5.330 30 10 IKEE Cc1c(O[C@@H](C)C(=O)Nc2nc3ccccc3s2)ccc2c1O/C(=C\c1ccco1)C2=O 1871439803 MROVSGZKODFDNB-YQNUULROSA-N 446.484 5.220 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(N(C)C)cc1)C2=O 1871440638 ZGDRUZZBSWLOAE-OYKKKHCWSA-N 442.515 5.003 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1cccs1)C2=O 1871457575 NQXKZYZNNFIRFJ-JAIQZWGSSA-N 439.920 5.652 30 10 IKEE CCCCCCCCN=c1nc(N(CCC)CCC)[nH]c(=NCCCCCCCC)[nH]1 1871469312 YTROHOFTRYUMAR-UHFFFAOYSA-N 434.717 5.887 30 10 IKEE CCCCCCCCCCN=c1nc(N(CCC)CCC)[nH]c(=Nc2cccc(C)c2)[nH]1 1871650492 AVIJKCWKJICSCT-UHFFFAOYSA-N 440.680 5.946 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)c(C)c1)c1ccccc1)S(=O)(=O)c1ccccc1 1871899890 MOCKJMILHDHBQH-RUZDIDTESA-N 448.588 5.250 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 1872769102 JSORGUBNPGSFPM-HQWZXOHUSA-N 443.355 6.405 30 10 IKEE COc1ccc(OC)c(-c2csc([C@@H](C#N)C(=O)c3cc(Cl)ccc3Cl)n2)c1 1872771077 LUSRJYODOZROFW-HNNXBMFYSA-N 433.316 5.624 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)cc3[N+](=O)[O-])n2)c1C 1872781456 UEBICZNPTCQFTM-QGZVFWFLSA-N 439.924 6.095 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(C(C)(C)C)cc3)n2)c(OCC)c1 1872783487 ASAADQQKFWJBIQ-OAQYLSRUSA-N 448.588 6.395 30 10 IKEE CCCCCCCCN1C(=O)C(NC2CCCCCC2)=C(c2ccc(F)c(C)c2)C1=O 1873152791 MKWUVKGVOMNMNR-UHFFFAOYSA-N 428.592 5.887 30 10 IKEE CC(C)(C)c1cc(/C=N/Nc2cnn(C(C)(C)C)c(=O)c2Cl)cc(C(C)(C)C)c1O 1873526556 LHKHWDLIXULNPA-BRJLIKDPSA-N 432.996 5.398 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C(C)(C)C)c2)cc2c(N(CCC)CCCC)ncnc21 1873659137 CHMOEYNFPFNABZ-UHFFFAOYSA-N 447.627 6.184 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C)c2C)cc2c(N3CCc4ccccc4C3)ncnc21 1873674210 LUNDNKZLJNGYDU-UHFFFAOYSA-N 437.547 5.049 30 10 IKEE CCCCCCCCNC(=O)[C@H]1CS[C@@H](c2ccccc2)N1C(=O)c1ccc(C)cc1 1873886061 FSKDTLKUTLQINT-BVAGGSTKSA-N 438.637 5.728 30 10 IKEE CCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1cccc(Br)c1 1874276432 LRDRNIJXLLUQGW-LPYMAVHISA-N 449.805 5.473 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1c(F)cccc1Cl 1874283072 NZBNFFQTGUFSAD-BRJLIKDPSA-N 449.382 6.060 30 10 IKEE Cc1cccc(CSc2nnc(COc3cccc(C)c3C)n2/N=C/c2cccs2)c1 1874321910 QLGMBMDNXMMJKT-AFUMVMLFSA-N 448.617 6.018 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2ccc(F)cc2)cc1 1874349092 UPVLDSKXIYLLLR-JVWAILMASA-N 446.551 5.500 30 10 IKEE C=C(C)CSc1nnc(COCc2ccccc2)n1/N=C/c1cccc2ccccc12 1874355615 SNEFAWDBNUSGLH-CVKSISIWSA-N 428.561 5.699 30 10 IKEE Oc1cccc(/C=N/n2c(SCCc3ccccc3)nnc2-c2ccccc2Cl)c1 1874365862 YHHDLLFYEFSDTE-PCLIKHOPSA-N 434.952 5.521 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccccc3)n2/N=C/c2sccc2C)cc1 1874382625 ZNMFXNCNBOOBRI-ZVHZXABRSA-N 434.590 5.710 30 10 IKEE Cc1ccc(CSc2nnc(Cc3cccs3)n2/N=C/c2cccc([N+](=O)[O-])c2)cc1 1874411531 YFHTZRPLMWDGND-OEAKJJBVSA-N 449.561 5.322 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(CC(C)(C)C)n2/N=C/c2cccc(C)c2)cc1 1874437442 AWDWAUMAPOXRLC-MFKUBSTISA-N 435.597 5.097 30 10 IKEE C=CCSc1nnc(C(F)(F)F)n1/N=C/c1ccc(OCCCCC)c(OCC)c1 1874461714 CASNHCQPJAFMPA-ZVHZXABRSA-N 442.507 5.425 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2c(F)cccc2Cl)nnc1-c1ccco1 1874469211 SPIMJNMONIPEQU-WYMPLXKRSA-N 442.903 5.514 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C(C)(C)C)cc1 1874483046 BDBXWLXOYGOOSU-WGOQTCKBSA-N 439.604 5.735 30 10 IKEE Sc1nnc(-c2cccs2)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874559067 TXABBIGWMCTHQG-WSDLNYQXSA-N 426.954 5.410 30 10 IKEE Cc1cc(OCc2nnc(S)n2/N=C/c2ccc(Cl)cc2Cl)ccc1Cl 1874568066 FSSGFDVBNPNRNX-ODCIPOBUSA-N 427.744 5.297 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1C 1874574021 QOJIPZHXDRSZJE-BUHFOSPRSA-N 426.487 6.771 30 10 IKEE CCOc1c(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc(Br)cc1OC 1874579626 YNGGDAXBVVRRAQ-FNORWQNLSA-N 430.125 6.059 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)c1 1874580413 MQUIGPUUMBXCLB-CCEZHUSRSA-N 437.495 6.840 30 10 IKEE Cc1ccccc1COc1ccc(Br)cc1/C=C/C(=O)c1ccc(F)cc1 1874583898 LQGGNKTZBACRIK-XYOKQWHBSA-N 425.297 6.372 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cccc(OCC(=O)Nc2ccccc2F)c1 1874599454 NRISJMKTMJYKHL-VAWYXSNFSA-N 433.479 5.365 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OCC(=O)Nc2cc(C)ccc2C)c1 1874600731 ADOZVOICKKBBTJ-PKNBQFBNSA-N 449.934 5.879 30 10 IKEE C=C(C)COc1c(Br)cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1OC 1874602235 BBQJBWATWSTZGV-BQYQJAHWSA-N 432.270 5.217 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1 1874610752 JKBLJCPJWOWDCZ-LFYBBSHMSA-N 430.460 5.125 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OCc1cccc(Cl)c1 1874616457 AULPRBQRJWHGOY-SDNWHVSQSA-N 432.947 6.861 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1[N+](=O)[O-] 1874618209 PDQHPRIOICYWNN-PKNBQFBNSA-N 438.524 5.135 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1F 1874621312 DDCDWTJBEIZSAX-RUDMXATFSA-N 425.387 5.357 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3cccc4ccccc34)cc2)cc1C 1874623750 SRMYAUAYHWASPY-GHRIWEEISA-N 435.523 6.370 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(OC)c(C)c3C)cc2)o1 1874627990 HFLUOEUYOWXDOJ-MDWZMJQESA-N 434.488 5.557 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OCC(=O)OCC(C)C 1874633044 JLXXMLJCCOXDBN-ZRDIBKRKSA-N 436.548 5.515 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)cc2)cc1 1875097197 ZBEMHOVSHIZNQJ-VCHYOVAHSA-N 440.539 6.008 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)cc3)c([N+](=O)[O-])c2)cc1OC 1875099076 WRIHUFRPCBGCEI-IZZDOVSWSA-N 447.443 5.036 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)C(F)(F)F)c(Br)c2)cc1 1875100309 ADMFXUISVCDECO-WEVVVXLNSA-N 427.216 5.375 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OC(=O)c1cccc2ccccc12 1875110607 STLWSRMKQAZYSL-FYWRMAATSA-N 442.898 6.617 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1ccc(CC)cc1 1875136858 ZVHOBRVSSCTEOT-SFQUDFHCSA-N 440.539 6.410 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)CCCOc3ccccc3Cl)cc2)c1 1875137835 HHSUHEYYVLGGGE-DTQAZKPQSA-N 448.946 6.618 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(Cl)c(OC(=O)c2cccs2)c(OC)c1 1875143654 KMZBHBDRNBCVHY-BQYQJAHWSA-N 442.920 5.842 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 1875148695 KOHFIFWEOGGIMB-OVCLIPMQSA-N 444.527 6.117 30 10 IKEE COc1cccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3cccc4ccccc34)cc2)c1 1875154003 IZIWROYJNXUTCG-SAPNQHFASA-N 438.479 5.729 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)CCCSC)cc2)cc1C(C)C 1875163129 XEEQLYZTYRFNPL-JLHYYAGUSA-N 426.578 6.072 30 10 IKEE CC(C)CC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1[N+](=O)[O-] 1875165102 BJVGUUWJBSLZBC-RIYZIHGNSA-N 445.471 6.235 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3ccccc3)c(OC)c2)c(C)c1C 1875167502 FTQOPFSVFPZZCE-ACCUITESSA-N 446.499 5.445 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(C)c3C)cc2)CC1 1875167510 GAICQTKNMMBDTA-LDADJPATSA-N 448.603 7.110 30 10 IKEE C#CC(C)(C)C[C@H](NC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875652154 UMQDVZYPEOVWNG-LSYYVWMOSA-N 443.587 5.516 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@](C#N)(C1CCC1)C(F)(F)F 1892901462 VZQHJSQJJKTQHR-QGZVFWFLSA-N 433.268 5.815 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 1922087278 XMUBAVFBFVLICN-UMFSSWHCSA-N 428.617 5.307 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C1(CNC(=O)OC(C)(C)C)CCCCCC1 1922095588 WASJQOGTOIKWMZ-DEOSSOPVSA-N 444.660 5.993 30 10 IKEE C=C(COCc1ccccc1)[C@H](O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 1922129462 SAGQVLGXIAIZGN-DEOSSOPVSA-N 437.580 5.089 30 10 IKEE C=C([C@@H](NCCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1)[Si](C)(C)C 1923002070 SBKLDRYNUNISBZ-GOSISDBHSA-N 441.486 6.270 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C1(C)C 2005340591 QQZUCULYYCVRHI-HJPURHCSSA-N 449.617 5.318 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc([C@@](C)(C#N)N(C[C@H]2CCCO2)C(=O)OC(C)(C)C)c1 2027942601 WEOMVKIWLYYCHK-NTKDMRAZSA-N 445.560 5.188 30 10 IKEE N#Cc1c(C=Cc2ccccc2Cl)cc(-c2cccc(Cl)c2)n2c1nc1ccccc12 2040461166 BSPGTYAIIZHGJS-UHFFFAOYSA-N 440.333 7.503 30 10 IKEE Cc1ccc(C(=O)Nc2cccc(C=C3SC(=Nc4ccccc4C)NC3=O)c2)cc1 2042446007 LZUAXKQTJFYLCD-UHFFFAOYSA-N 427.529 5.447 30 10 IKEE COc1cc(/C=C/C(C)=O)cc(Br)c1OCc1ccc(Cl)cc1Cl 2060409391 ACTRDPMMPNLGAQ-ONEGZZNKSA-N 430.125 5.946 30 10 IKEE Cc1cc2c(s1)Nc1ccccc1N=C2N=C1Nc2ccccc2Nc2sc(C)cc21 2070301634 ZEWSWFPDKXNIQS-UHFFFAOYSA-N 441.585 7.178 30 10 IKEE Cc1cc(C)c([C@H](n2nc(C3CC3)c(C#N)c2I)C2(C)CC2)cc1C 2078983540 GNWXBAYOWZNIDG-IBGZPJMESA-N 445.348 5.552 30 10 IKEE C[C@@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(C)(C)C)c(C=NO)c1Br 2080036174 IOVKVCPPNKFQHV-VIFPVBQESA-N 436.247 5.518 30 10 IKEE CC(C)Oc1ccc([C@@H](C2CCC2)n2nc(C(C)C)c(C=NO)c2Br)cc1 2080118221 QFXJDVPDJGINBI-HXUWFJFHSA-N 434.378 5.754 30 10 IKEE CCCCCCCC[C@H](CCCCCC)C(=O)OCCCCCCNCCCCO 2081011912 AIKFOPXHSONQHU-VWLOTQADSA-N 427.714 6.789 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCCCC[C@H]1Nc1ccc(C#N)c(Br)c1F 2106036734 BIHGPRZRECSQRC-KGLIPLIRSA-N 426.330 5.098 30 10 IKEE CO[C@@H]1CC(C)(C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2162039119 ONDYWTSZICUFEQ-DYESRHJHSA-N 437.378 5.678 30 10 IKEE CCC[C@H]1CCOCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2165351079 SBFUMZOJPBBKLI-KKSFZXQISA-N 437.378 5.680 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@@](C#N)(Nc3ccc(Br)cc3)C[C@H]21 2166974199 PRDWQOAUDBYIIM-FQELHTAISA-N 434.378 5.323 30 10 IKEE C=CCC[C@@H](NCCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229122435 GAKUNNZGGVVSDX-MOPGFXCFSA-N 425.411 5.219 30 10 IKEE COc1ccc(F)c([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)c1 2235968391 RBKHKBHKLCJNEB-SFHVURJKSA-N 435.293 5.603 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](O)c1sc(Cl)cc1Br 2259957543 HTXPCQALASHCOH-MSOLQXFVSA-N 444.822 5.339 30 10 IKEE C=CCCC1([C@@H](NC)c2cc(Cl)c(Cl)cc2Cl)CN(C(=O)OC(C)(C)C)C1 2281045974 RBRRPGWHAPEXCJ-KRWDZBQOSA-N 433.807 6.111 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)CC#CC1CCCC1 2289848320 SWJXROQXPKBPIZ-IBGZPJMESA-N 434.374 5.038 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)C(=C(O)c4ccc(C)o4)[C@@H]3c3ccc(C)o3)sc2c1 2296551021 FBLPMMQKFOSGMI-FQEVSTJZSA-N 448.500 5.288 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)C(=C(O)c4ccccc4)[C@@H]3c3ccccc3)sc2c1 2296592807 CZGHKPKGYRKNFM-QFIPXVFZSA-N 440.524 5.485 30 10 IKEE CCCCCCCCC=CCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)O 2297749024 UWKNPULCJWBBDD-VWLOTQADSA-N 429.645 6.836 30 10 IKEE COc1cccc(C=C2SC(=Nc3nc(C)cs3)N(c3ccccc3)C2=O)c1OC 2314543741 LMAVLSLHMAXNAQ-UHFFFAOYSA-N 437.546 5.277 30 10 IKEE CC(C=NN=C1SC(=Cc2ccccc2F)C(=O)N1Cc1ccco1)=Cc1ccccc1 2314840969 LUQPNGUDHMEXCB-UHFFFAOYSA-N 445.519 5.981 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@H](C#N)[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 2321352059 QCTGITFDTXSZAB-WOJBJXKFSA-N 447.620 5.628 30 10 IKEE CC(C)[C@@H]1C[C@](C#N)(Nc2ccc(Br)cc2)CN1C(=O)OCc1ccccc1 2321365048 LUSVKFONQPTDDR-RBBKRZOGSA-N 442.357 5.190 30 10 IKEE COc1ccc(C=NNc2ccc(Br)cc2)cc1OCc1ccc(Cl)cc1 2321717886 DCAWUZIVNLMPFM-UHFFFAOYSA-N 445.744 6.136 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2C)cc1 2322362616 BPJIYXASEPWECS-UHFFFAOYSA-N 447.962 6.433 30 10 IKEE COc1cccc(C=CC(=O)c2ccc3c(c2)OCO3)c1OCc1cccc2ccccc12 2322701170 YOUAWXIWIUMRKI-UHFFFAOYSA-N 438.479 6.052 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccccc2OCCc2ccccc2)cc1 2322749009 ULLGHEJDORBMBL-UHFFFAOYSA-N 442.599 7.553 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC)c1OCc1ccccc1 2322775001 XTGGRGBSMGARBR-UHFFFAOYSA-N 430.544 6.476 30 10 IKEE Cc1c(OC(=O)c2ccc3c(c2)OCO3)ccc2c1OC(=Cc1cccc(Cl)c1)C2=O 2322775609 DPOOUJFUCLLZAP-UHFFFAOYSA-N 434.831 5.213 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccc(C)c(C)c2)c(OC)c1 2322904167 NGAADZMCIOKHOL-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE CC(=O)Nc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2sccc2C)C3=O)c1 2322969187 NHBZNKQIPFFNGM-UHFFFAOYSA-N 433.485 5.159 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1OCc1ccccc1C 2323081376 AOLNCSRCTWQJIV-UHFFFAOYSA-N 437.333 6.241 30 10 IKEE CCOc1cc(C=NNc2nc3ccc(C)cc3[nH]2)ccc1OCc1ccccc1Cl 2323202026 UXKATVZGWXDSMN-UHFFFAOYSA-N 434.927 5.948 30 10 IKEE CCOc1cc(C=NNc2nc(O)cc(-c3ccccc3)n2)cc(Cl)c1OC(C)C 2323259687 QUEKXGRIKDGFJB-UHFFFAOYSA-N 426.904 5.135 30 10 IKEE CCCOc1ccccc1C=CC(=O)Oc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O 2323341337 QMWDAUHDCONZHR-UHFFFAOYSA-N 444.458 5.850 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OCC(=O)NC1CCCCC1 2323412805 DXBLMPDCMLRKLR-UHFFFAOYSA-N 443.543 5.572 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)c1 2323487002 ZWGWKXFRNKLAHW-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1cccnc1)C2=O)c1cccc(Oc2ccccc2)c1 2323557575 BQOGZTPUIZBDEF-UHFFFAOYSA-N 435.435 5.709 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4cccc(Oc5ccccc5)c4)ccc3C2=O)o1 2323559890 SLTMCZQLVIDRRT-UHFFFAOYSA-N 438.435 6.216 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(F)cc2)c(Br)c1)c1ccccc1Cl 2323603915 NCCCDFYGAJFRAH-UHFFFAOYSA-N 445.715 6.717 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 2323647633 CYJQPYUYBIEEDM-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)c1 2323799658 DLCIOISVJBVRAN-UHFFFAOYSA-N 434.875 5.883 30 10 IKEE Cc1c(OC(=O)c2cccc(OC(C)C)c2)ccc2c1OC(=Cc1ccccc1F)C2=O 2323809082 SSOIXFPZWREXEI-UHFFFAOYSA-N 432.447 5.757 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)c3cccc(OC(C)C)c3)cc(C)c2C1=O 2323812502 VMCUAICLUPTFQO-UHFFFAOYSA-N 428.484 5.926 30 10 IKEE CCOc1cc(C=NNc2nc(-c3ccc(C)cc3)cs2)cc(Br)c1O 2323865165 PLFFMOSUMDZQGJ-UHFFFAOYSA-N 432.343 5.431 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OCC(=O)NC1CCCCC1 2324077582 JMVNYGMCRYDUKL-UHFFFAOYSA-N 449.591 5.717 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2C)C3=O)cc1 2324492579 NLEQUYDOQMNSHS-IBGZPJMESA-N 441.527 5.888 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)ccc1OCCc1ccccc1 2324540285 ILLWHUKTPGVIDW-UHFFFAOYSA-N 436.935 6.183 30 10 IKEE Cc1cccc(OCCCOc2ccc3c(c2C)OC(=CC=Cc2ccccc2)C3=O)c1 2324567706 MABDNPGKVNZFRN-UHFFFAOYSA-N 426.512 6.324 30 10 IKEE CCCC[C@@H](Oc1cc(C)c2c(c1)OC(=Cc1ccc(Cl)cc1Cl)C2=O)C(=O)O 2324784562 SNQYTVCLJZKWJQ-QGZVFWFLSA-N 435.303 5.940 30 10 IKEE CCCC[C@H](Oc1ccc2c(c1C)OC(=Cc1ccccc1Br)C2=O)C(=O)O 2324784574 VIZJGTRJWPSTTL-SFHVURJKSA-N 445.309 5.396 30 10 IKEE Cc1cccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4c(C)cccc4C)cc(C)c3C2=O)c1 2325145353 AULISNSRVUTHCZ-HXUWFJFHSA-N 441.527 5.942 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OCCc4ccc(C)cc4)ccc3C2=O)cc1 2325369950 OTGLJSFSLGWQNQ-UHFFFAOYSA-N 427.544 6.079 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1OC(=O)[C@@H](C)c1ccccc1 2325746180 RTFKEQPZLMLCQN-FQEVSTJZSA-N 442.555 6.598 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC(=O)c1ccncc1 2325753778 LRVXSALMOKSWBD-UHFFFAOYSA-N 445.515 5.646 30 10 IKEE C=C(C)CSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccco1 2325809339 JLSFLSKJKPQWNZ-UHFFFAOYSA-N 444.988 5.703 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccccc1C(F)(F)F 2326252077 XWVMKFCXNLBRCN-UHFFFAOYSA-N 436.478 5.953 30 10 IKEE CCCOc1ccc(C=Nn2c(CC)nnc2SCc2ccc(C)cc2)cc1Cl 2326296264 MBCWMDLCBOPCNF-UHFFFAOYSA-N 428.989 5.766 30 10 IKEE CCOc1ccc(C=Nn2c(CC)nnc2SCc2ccccc2Cl)c(OCC)c1 2326545967 DTKSDKXCIHCKNB-UHFFFAOYSA-N 444.988 5.466 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@]23C[C@H](CCN2C(=O)OC(C)(C)C)C3)c1 2326631796 OWAAPBCCXNEVKZ-BSWQBHCVSA-N 441.572 5.418 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1ccccc1OC 2327363104 VXJOYCJULGUUIR-UHFFFAOYSA-N 436.581 5.369 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1ccc(Cl)cc1 2328945479 GCJVDYJMRKSQHW-UHFFFAOYSA-N 425.001 5.884 30 10 IKEE Clc1cccc(CSc2nnc(CCOc3ccccc3)n2N=Cc2ccncc2)c1 2329217818 BZYXJLNKUWUUDY-UHFFFAOYSA-N 449.967 5.123 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3Cl)n2N=Cc2cccnc2)cc1 2329278395 NOKLROAYUAQRRR-UHFFFAOYSA-N 449.967 5.100 30 10 IKEE CCSc1nnc(COCc2ccccc2)n1N=Cc1c(OC)ccc2ccccc12 2329322954 OZQVLFQPIWBZGE-UHFFFAOYSA-N 432.549 5.151 30 10 IKEE Fc1ccc(Cc2nnc(SCc3ccccc3Cl)n2N=Cc2cccnc2)cc1 2329842481 BOJXECLCMDUILY-UHFFFAOYSA-N 437.931 5.231 30 10 IKEE COc1ccccc1C=Nn1c(COc2ccccc2)nnc1SCc1ccccc1 2329918745 MLIKOOVBHIWFRR-UHFFFAOYSA-N 430.533 5.040 30 10 IKEE COc1ccc(C=Nn2c(Cc3ccc(C)cc3)nnc2SCc2cccc(C)c2)cc1 2329954808 CIGJHRWASVGQCL-UHFFFAOYSA-N 442.588 5.669 30 10 IKEE C=CCSc1nnc(Cc2ccc(C)cc2)n1N=Cc1cc(Br)ccc1F 2330008112 RPZIGIXFHXWZBM-UHFFFAOYSA-N 445.361 5.239 30 10 IKEE O=C(Cc1ccccc1F)Oc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1 2330592769 GMIIRXZUGDXWDG-UHFFFAOYSA-N 436.482 6.537 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)cc(Cl)c1OC(=O)c1ccc(C)cc1 2330750077 UJGGSISOURVVDR-UHFFFAOYSA-N 448.946 6.725 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)CSc3ccccc3)c(OC)c2)cc1 2330772794 SLVBFSJMKHWMDO-UHFFFAOYSA-N 432.541 5.851 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1 2330805419 JXLNWAIOHHMYSL-UHFFFAOYSA-N 433.375 7.546 30 10 IKEE CCCCCOc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCC)cc1OCC 2330832904 LNTGMFFDFNVCBN-UHFFFAOYSA-N 432.634 5.829 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1C 2330855515 NWMPAUUEMYVCFW-UHFFFAOYSA-N 428.528 6.416 30 10 IKEE Clc1ccc(CSc2nnc([C@@H]3CCCO3)n2N=Cc2cccs2)cc1Cl 2330996105 JJWOHKMGPHIBML-INIZCTEOSA-N 439.393 5.672 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3ccc(C=CC(=O)c4ccc([N+](=O)[O-])cc4)cc3)c(C)c2c1 2331018170 DXVVNYXRDXHMJT-UHFFFAOYSA-N 440.455 5.808 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)[C@H](C)Oc1ccc(C(C)C)cc1 2331184896 ZDOLJQXBMWMVHY-FQEVSTJZSA-N 444.527 6.088 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)cc2)cc1 2331259389 XMVKVZNFRKBXJB-UHFFFAOYSA-N 446.415 5.235 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)c1ccc(C)c(C)c1 2331408189 GNUSIYBPTLBZHU-UHFFFAOYSA-N 444.483 5.199 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCO4)cc2[N+](=O)[O-])cc1 2331442669 WPBSGXLWVIYFJA-UHFFFAOYSA-N 445.427 5.001 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)c1cncc(C)c1 2331489159 CMGVUERQVWPPDF-UHFFFAOYSA-N 449.934 6.291 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(Br)c1OC(=O)C(C)(C)C 2331534365 VWJRMDAEYVLGES-UHFFFAOYSA-N 435.289 5.444 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)COc2c(C)cccc2C)cc1 2331660212 VDQJPYMJOQPTKS-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1ccc(C)c([N+](=O)[O-])c1 2331715342 PGWHXHFBMHOJFE-UHFFFAOYSA-N 445.471 5.644 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc(OC)c1OC(=O)C1CCC1 2331754561 BHQLVDKAVLSOOK-UHFFFAOYSA-N 444.911 5.276 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc([N+](=O)[O-])c1OC(=O)CC 2331801137 RFGKRXYOWKJGDL-UHFFFAOYSA-N 439.508 5.811 30 10 IKEE Cc1cc(CNc2cccc(NC(=O)OC(C)(C)C)c2)cc(B2OC(C)(C)C(C)(C)O2)c1 2343644530 BDVVSOHPMICNLC-UHFFFAOYSA-N 438.377 5.253 30 10 IKEE C[C@H](Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)c1cscc1Br 2365063759 FAANRPMOHSDHFT-XEHSLEBBSA-N 435.196 5.723 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(Nc2ccccc2Br)[C@H]1C(F)(F)F 2370260752 JAVCHZOPKDMSQE-YOEHRIQHSA-N 448.283 5.085 30 10 IKEE Cc1ccc(NC(=S)N/N=C2\C(=O)N(Cc3cccc(Cl)c3)c3ccccc32)cc1C 3041569 QMUOXRLGWSKDHL-QYQHSDTDSA-N 448.979 5.194 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(SCc3ccccc3)nc(=O)c1[C@H]2c1cccs1 9597330 HMCRSQOPSUURSL-IBGZPJMESA-N 449.601 5.324 30 10 IKEE Cc1ccc(NS(=O)(=O)c2ccc(/N=C/c3c(O)ccc4ccccc34)cc2)c(C)c1 12482216 JJMKTVAWHZZPJD-WGOQTCKBSA-N 430.529 5.714 30 10 IKEE C=CCN1C(=O)/C(=C/C(Cl)=C/c2ccccc2)S/C1=N\c1ccc(O)cc1C(=O)O 16927105 VTDNHPZJSIJIFQ-YSJYHMPESA-N 440.908 5.003 30 10 IKEE CCn1nc(C)c(CCN/C(=N/C(=O)c2ccc(C)c(F)c2)Nc2cc(C)ccc2C)c1C 32973239 HAFHJTWUQWONQJ-UHFFFAOYSA-N 449.574 5.025 30 10 IKEE Cc1ccc(C)c(COc2ccc3c(c2)O/C(=C\c2ccc(-c4ccccc4)cc2)C3=O)c1 33370486 LXADTHXEGOGCNJ-RHANQZHGSA-N 432.519 7.166 30 10 IKEE C=CCN(Cc1nccn1Cc1ccc(Cl)cc1Cl)C(=O)c1ccc(Cl)cc1 35979724 WMYNBQKSTBTKMX-UHFFFAOYSA-N 434.754 5.720 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccc(CC)cc1 40098297 CXQHXYJUOLQRQN-QFIPXVFZSA-N 433.504 5.382 30 10 IKEE C=CCc1ccc(OCCCn2c(-c3ccccc3Cl)nc3ccccc32)c(OC)c1 40250568 FVBPCVCRZWGPSP-UHFFFAOYSA-N 432.951 6.563 30 10 IKEE Cc1ccc(C)c(NC(=O)c2oc3c(c2C)/C(=N/NC(=S)Nc2ccccc2)CCC3)c1 40825158 XXKNHPPCKVWNFL-TURZUDJPSA-N 446.576 5.484 30 10 IKEE Cc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(-c4ccccc4)cc2)C3=O)cc1 41284430 YIVDANWQUNDSOE-PKAZHMFMSA-N 446.502 6.806 30 10 IKEE CN(C)c1ccc(/C=C2\Oc3c(ccc4c3CN(CCCc3ccccc3)CO4)C2=O)cc1 41663041 NVMCCUAZGQILHK-ONUIUJJFSA-N 440.543 5.154 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)cc1 100293921 DNVSYWOZZGUBJL-UHFFFAOYSA-N 436.596 6.304 30 10 IKEE O=C(Nc1ccccc1F)[C@H]1CC(=O)N(CCc2ccccc2)/C(=N/c2ccccc2)S1 100411220 SSIPOBYVWZJWFL-MCMRFMRISA-N 447.535 5.029 30 10 IKEE Cc1c(C(=O)Oc2ccc3ccccc3c2)oc2c1/C(=N\Nc1ccccc1)CC(C)(C)C2 101108875 ZQDZZHDHYAVPLR-WMMMYUQOSA-N 438.527 6.749 30 10 IKEE CCCCCCCCCCCCN1C(=O)[C@](O)(CC(C)=O)c2ccc(Cl)c(Cl)c21 101321784 KPRGGPQHGFFMMO-QHCPKHFHSA-N 442.427 6.428 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2cc(C)cc(C)c2)cc1 169922352 GMOSUNIKXNEKAN-RUZDIDTESA-N 441.527 5.712 30 10 IKEE CCCN1C(=S)N[C@H](c2ccccc2OCc2ccccc2Cl)C2=C1CCCC2=O 169930207 UAFXFPXSIXBBGY-HSZRJFAPSA-N 440.996 5.567 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(Oc3ccc(Cl)cc3)cc2)NC(=S)N1 169938025 QXUSJILKQWNSGK-JOCHJYFZSA-N 434.948 5.808 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@H]2c2ccccn2)cc1 169996795 VRYHGDQVSSXDBF-QFIPXVFZSA-N 432.907 5.389 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2cccnc2)cc1Cl 170008906 QLVFIJOIWZZRBW-HXUWFJFHSA-N 439.298 5.480 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(O)c(Cl)c1)c1cccc(Cl)c1 170043933 VOPIBEPTYNSXLU-LJQANCHMSA-N 432.303 5.220 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 170061021 ATVQSCHMTPKUSK-HXUWFJFHSA-N 443.808 5.540 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(O)cc1 170138489 YXQNWIQTNSNPQW-HSZRJFAPSA-N 433.548 5.519 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccccn2)cc1C 170174048 TXBBOZLWYKRUTE-QFIPXVFZSA-N 448.906 5.225 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccccn2)c1 170175125 NROIMORPSCJEFM-XMMPIXPASA-N 436.467 5.032 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccn2)cc1C(C)C 170179277 JFWZUXWQRGORPS-HSZRJFAPSA-N 434.536 5.125 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1ccncc1 170201000 IBDYJSXLVZLMST-NRFANRHFSA-N 448.906 5.143 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1ccc(OCC)cc1 170214077 CIJYHOCRIICDSP-HSZRJFAPSA-N 435.564 5.680 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2C2CCCC2)cc1 170214761 VZURPJSJEMHXCK-DEOSSOPVSA-N 449.547 5.393 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2cc3cc(Cl)ccc3o2)=C(O)C(=O)N1C1CCCC1 170319757 RCVGQZUJHKHQHU-IBGZPJMESA-N 441.936 5.977 30 10 IKEE CCN(CC)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccccc2C)cc1 170396535 APMPZYNWWDUALD-QHCPKHFHSA-N 446.572 5.686 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(Oc3ccccc3)cc2)[C@@H]1c1cccs1 170476864 IIELBQUDACKXLK-HSZRJFAPSA-N 433.529 6.056 30 10 IKEE CCN=C(Nc1nc2ccc(OCC)cc2s1)Nc1nc2ccc(OCC)cc2s1 195987258 OZQAODRKMFQJTM-UHFFFAOYSA-N 441.582 5.603 30 10 IKEE CCN1C(=O)/C(=C2\Sc3ccccc3N2C)SC1=Nc1c(O)ccc2ccccc12 252608156 HHKCIZKVWZREIN-QLMUGPIMSA-N 433.558 5.539 30 10 IKEE CCN=c1scc(-c2cccc(Br)c2)n1N=Cc1ccc(SC)cc1 254485444 WTLCBWLMHMSQNH-UHFFFAOYSA-N 432.412 5.504 30 10 IKEE CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2N=Cc1cccs1 254706523 YWGRSUXLGNTMEC-UHFFFAOYSA-N 444.564 5.127 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(OCC)cc2)cc1 526484207 CMVBSMKJIVCWIN-RUZDIDTESA-N 440.499 5.413 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(O)cc2)cc1Cl 526520973 JKQJSOURGSFMPV-QHCPKHFHSA-N 446.890 5.373 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(C)cc2)cc1Cl 526522803 SNNAMCYZBQYBHB-XMMPIXPASA-N 444.918 5.976 30 10 IKEE Clc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccncc2)cc1 526807984 HAKNNMFGZLYYLP-QQXSKIMKSA-N 433.968 5.286 30 10 IKEE C=CCCCCC[C@@H](N)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 708588144 GXIAJEZMJQCGNU-RTBURBONSA-N 425.411 5.349 30 10 IKEE CC[C@](C#N)(C1CN(C(=O)OC(C)(C)C)C1)N(C(=O)OC(C)(C)C)c1ccccc1Cl 716134439 KRNOTYMLMXUOCH-QHCPKHFHSA-N 449.979 5.621 30 10 IKEE COc1cc(C=NNc2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc2ccccc12 1084008294 KSACQVMGLBDROH-UHFFFAOYSA-N 427.460 5.782 30 10 IKEE Cc1c(N=Nc2ccccc2Br)c(O)n(CCc2ccccc2)c(=O)c1C#N 1772740875 LHXXCIFUJSFJNA-UHFFFAOYSA-N 437.297 5.155 30 10 IKEE N#Cc1cccc(NC(=O)Oc2cccc3c(NC(=O)Cc4ccc(F)cc4)cccc23)c1 1858770451 LLJCHVMRFZNPLL-UHFFFAOYSA-N 439.446 5.643 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC(C)C)NC(=O)CCc1ccc(C)c(C)c1 1861098636 ZUZZOHRARDLPFM-RUZDIDTESA-N 430.677 6.024 30 10 IKEE CCCCCCCCNC(=O)[C@@H](C)NC(=O)c1ccc2[nH]c(-c3ccc(C)cc3)nc2c1 1861431966 UZIPKNCYJWITLA-LJQANCHMSA-N 434.584 5.133 30 10 IKEE CCCCCCCCNC(=O)CNC(=O)c1ccc2[nH]c(-c3ccc(C(C)C)cc3)nc2c1 1861438239 REYGHYRGNDXNKP-UHFFFAOYSA-N 448.611 5.560 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)c1ccc(OCC(C)C)cc1 1861771782 UOXGFQPVTJWURT-VWLOTQADSA-N 446.676 6.267 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccccc2C)cc1C 1862400808 NIZNIQDMFYQAFE-CLOONOSVSA-N 441.527 5.652 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@H](C)c2ccccc2)c1 1862413269 YYSXHOWTABTDPE-MWTRTKDXSA-N 433.454 5.613 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(C(C)(C)C)cc1 1862420623 OYWHHGPSEABKTM-OAQYLSRUSA-N 427.491 5.641 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@@H]2c2ccccc2)cc1 1862429145 GYDCKCNPRDDPOV-QFIPXVFZSA-N 433.891 5.127 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc(F)c1 1862430067 BGSHYZVUHLVHMW-XMSQKQJNSA-N 443.946 6.416 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)cc1 1862431765 OHALKFSIJKYRST-XORNHQRDSA-N 437.967 6.059 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862487355 YYFWNJMYCCDIQZ-VWLOTQADSA-N 425.528 5.699 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccccc2C)c1 1862490231 QIUQEGIRAMARNQ-NLFFAJNJSA-N 425.528 5.951 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccccc1Br 1862496212 FKPCACCSYUTHAT-IBGZPJMESA-N 428.326 5.054 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccco2)c1 1862511036 LSWDDEOXDCEJGE-QHCPKHFHSA-N 449.478 5.294 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccccc2C)cc1 1862514627 KRCSJVNKULEJDT-RZPHLTDDSA-N 447.575 5.941 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1cccc2ccccc12 1862592647 HNLYIPQYWYFQPV-LAMXGVLKSA-N 441.527 5.702 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(C(C)(C)C)cc1 1862651975 CXEAFMKYMRWHKJ-DEOSSOPVSA-N 427.544 6.124 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2cccnc2)c1 1862660949 STXQCPVWAZKLKF-DEOSSOPVSA-N 426.516 5.292 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccccc2F)c1 1862676466 JPZGZRPJJNQUQL-HSZRJFAPSA-N 449.453 5.142 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862679900 PSYWDPNDUQYJGJ-AOMKIAJQSA-N 425.500 5.381 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc(Cl)cc2)c1 1862700930 RRKPYBVWJBFZHE-GNSUPJDDSA-N 439.939 5.506 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1 1862713101 HGOXQXWPTVNYTQ-SANMLTNESA-N 441.571 6.779 30 10 IKEE COc1ccc(NC2=C(c3cccc4ccccc34)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862850718 YMIVKTUHGJYDRP-UHFFFAOYSA-N 445.478 5.117 30 10 IKEE CC[C@@H]1Cc2cc(OC)ccc2N(c2cc(Nc3ccc(C#N)cc3)nc(CCOC)n2)C1 1868267199 JQDDBXDANZJJBC-GOSISDBHSA-N 443.551 5.010 30 10 IKEE CCc1nc(Nc2ccccc2C#N)cc(N2CCC(=O)c3cc(C(C)(C)C)ccc32)n1 1868286293 DSNDBQUXMQAPNX-UHFFFAOYSA-N 425.536 5.676 30 10 IKEE Cc1ccc(-c2nc(Nc3cccc(C#N)c3)cc(N3CCO[C@H](c4cccnc4)C3)n2)cc1 1868312313 IPUNXUYHNZBERA-DEOSSOPVSA-N 448.530 5.040 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)c2ccc3ccccc3c2)n(-c2ccccc2Cl)n1 1870004146 WGHXELMWZUKSIL-UHFFFAOYSA-N 443.938 5.505 30 10 IKEE CCCCCCCCn1cc(OCC(=O)Nc2cc(Cl)ccc2OC)c(=O)cc1C 1870084530 IHBOZZFMJSTFRI-UHFFFAOYSA-N 434.964 5.197 30 10 IKEE CCCCCCCOc1cn(CCCCCO)c(CSc2ccc(C)cc2)cc1=O 1870251338 DKZGCUQJTZKKFA-UHFFFAOYSA-N 431.642 5.961 30 10 IKEE CCCCCCCOc1cn(Cc2ccccn2)c(CSc2ccc(C)cc2)cc1=O 1870259886 NMDQPUYOWIWSSQ-UHFFFAOYSA-N 436.621 6.242 30 10 IKEE CCCCCCCCn1cc(OCC(=O)NCCC)c(=O)cc1CN(CCC)CCCC 1870683188 XIWJNXFMIDJWMB-UHFFFAOYSA-N 449.680 5.126 30 10 IKEE C=CCOc1cn(CCCCCCCC)c(CNc2ccc(OC)c([N+](=O)[O-])c2)cc1=O 1870811827 IYIFAYTUACJRFN-UHFFFAOYSA-N 443.544 5.303 30 10 IKEE C=CCn1cc(OCc2cccc(OC)c2)c(=O)cc1CNc1ccc(CCCC)cc1 1871054457 HRZZHSRUVWCMNT-UHFFFAOYSA-N 432.564 5.577 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCCCC)c(=O)cc1CNc1ccccc1 1871202447 YLKNNPWVCQQOHR-UHFFFAOYSA-N 442.600 5.543 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1cn(C)c4ccccc14)O3)CN([C@H]1CCCC[C@@H]1C)CO2 1871351131 LIIUMEFEDBVKIT-VKEIQZIISA-N 442.559 5.834 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O)c1cccc(Br)c1 1871365925 WDMNJYFFEKBSNW-JMIUGGIZSA-N 439.236 5.424 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)o2)C3=O)cc1OC 1871367704 ZGHMDXQDZMIBDP-UCQKPKSFSA-N 448.471 5.068 30 10 IKEE Cc1c(OC(=O)CCc2ccc(Cl)cc2)ccc2c1O/C(=C\C=C\c1ccccc1)C2=O 1871368839 QOYRAMDNVHQWKC-CLMGESTGSA-N 444.914 6.359 30 10 IKEE CN(C)c1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)ccc3C2=O)cc1 1871375032 PGLRJXSWKGLAKX-DTAINRSBSA-N 445.902 5.641 30 10 IKEE Cc1cc(OC(=O)/C(Cl)=C/c2ccccc2)cc2c1C(=O)/C(=C/c1cccc(F)c1)O2 1871377300 FCAMBEWQMPLYEO-FFOWACNVSA-N 434.850 5.936 30 10 IKEE Cc1c(OC(=O)c2cc3ccccc3oc2=O)ccc2c1O/C(=C\c1ccccc1F)C2=O 1871379795 WFZLJXGARYWDBL-XKZIYDEJSA-N 442.398 5.076 30 10 IKEE CC(C)Oc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)c1 1871388344 QPLJRBMGDRZTPE-IGBUCQDTSA-N 426.468 5.865 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871389450 WRGLIWNDZVIAOP-UCQKPKSFSA-N 428.440 5.146 30 10 IKEE Cc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O 1871409562 RJIZYSYNSPBIMW-YOBACFSGSA-N 433.891 5.671 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OCCOc3ccc(Cl)cc3)cc(C)c2C1=O 1871415076 ULCAUMXCFZQLKS-MOSHPQCFSA-N 426.921 6.092 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4c(C)cccc4C)cc(C)c3C2=O)o1 1871431525 VCKASUMQKVTPOQ-AIRTYWKNSA-N 431.488 5.535 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(OC)cc2)[nH]c(N(C)CCCC)n1 1871563121 KDJLPPPMQKTCGA-UHFFFAOYSA-N 442.652 5.835 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(O)cc2)[nH]c(N(CC)CCCC)n1 1871718959 SJEZVFLHMJBRGM-UHFFFAOYSA-N 442.652 5.922 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(Cl)c(Cl)c3)n2)cc1OC 1872761296 KFCAZVNPNMQMKA-CQSZACIVSA-N 447.343 5.553 30 10 IKEE CCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1 1872785626 RMAKWQAYEWQYRZ-HNNXBMFYSA-N 447.343 6.014 30 10 IKEE Cc1cc(C)c(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)c(C)c1 1872785897 BNDVVDHOFDYLFE-OAHLLOKOSA-N 425.897 5.787 30 10 IKEE Cc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)s3)cs2)c(C(C)(C)C)c1 1872789463 JSAKVSIUZPCRHK-CQSZACIVSA-N 445.009 6.386 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(C)c(F)c1)n2C 1873629389 ZEPLESANUBQVEM-UHFFFAOYSA-N 439.579 6.221 30 10 IKEE Clc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2cccs2)cc1 1874265338 SKBRGKHOMMURFH-YDZHTSKRSA-N 440.981 5.747 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OCC)cc2)n1/N=C/c1cc(Cl)ccc1O 1874303536 DFOGJIYLLMGFCP-ZMOGYAJESA-N 442.972 5.177 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(OC)cc2)n1/N=C/c1ccc(OCC)cc1 1874305848 RUWGWMYQMYZKTP-PCLIKHOPSA-N 436.581 5.021 30 10 IKEE COc1cccc(CCc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccccc2)c1 1874309387 SSNUUJUGBSPBIQ-WPWMEQJKSA-N 446.551 5.386 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1cn(C)c2ccccc12 1874320340 MEDBNZAIRCDVJC-LGJNPRDNSA-N 445.592 5.516 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(Cl)cc3)n2/N=C/c2ccccc2C)cc1 1874339063 HPWSTAFHKBMXRS-JVWAILMASA-N 447.007 6.314 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2/N=C/c2cccc(F)c2)cc1 1874355821 CSGPKEBNGBIQAK-LQKURTRISA-N 444.579 6.108 30 10 IKEE CCCOc1ccc(/C=N/n2c(CCc3ccccc3C)nnc2SC)cc1OCC 1874360124 PRZGIESGERMKDC-KOEQRZSOSA-N 438.597 5.163 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccccn1 1874401536 POFBJRKOVPXJSC-AEIQVQRHSA-N 433.968 5.653 30 10 IKEE CC(C)(C)c1ccc(/C=N/n2c(SCCc3ccccc3)nnc2-c2ccccc2)cc1 1874428528 NIKGXFXSODVJRI-VFCFBJKWSA-N 440.616 6.460 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccc(F)cc1 1874439121 LDPCFPKZRDJIDT-YDZHTSKRSA-N 427.505 5.089 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(SCCc2ccccc2)nnc1C1CCCC1 1874455959 SQTRKHNFZHOTOP-NLRVBDNBSA-N 434.609 5.940 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccco2)cc1OC 1874466507 NLIGZRNZZOZVLW-BUVRLJJBSA-N 434.521 5.120 30 10 IKEE Cc1ccc(CSc2nnc(C(C)(C)C)n2/N=C/c2c(Cl)cccc2Cl)cc1 1874481435 VTAFGAXAPSQDGC-WYMPLXKRSA-N 433.408 6.365 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SCc3ccccc3)nnc2C(C)(C)C)cc1 1874482005 URIZVAXAIIMMCF-NLRVBDNBSA-N 436.625 6.319 30 10 IKEE CCc1ccc(/C=N/n2c(CC(C)C)nnc2SCC(=O)Nc2c(C)cccc2C)cc1 1874488032 QJPKJLPRLPRIDN-CVKSISIWSA-N 449.624 5.269 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C2CCC2)cc1 1874496469 NXSUMBIMABIHBM-WYMPLXKRSA-N 431.392 6.335 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CC2)cc1 1874519610 BTXZWBAYSNWRGK-ZVHZXABRSA-N 426.973 5.772 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCc3nc(O)c4ccccc4n3)nnc2C2CC2)cc1 1874520901 QGJKYORNIAEIHP-DHRITJCHSA-N 444.564 5.102 30 10 IKEE COC(=O)c1ccc(COc2c(/C=C/C(=O)c3ccc4c(c3)CCCC4)cccc2OC)o1 1874571951 OTZILXMHLTULEN-WYMLVPIESA-N 446.499 5.429 30 10 IKEE Cc1ccc(C(=O)/C=C/c2c(OCc3c(F)cccc3Cl)ccc3ccccc23)c(C)c1 1874578999 RMENFLNDGMIICZ-BUHFOSPRSA-N 444.933 7.724 30 10 IKEE C=C(C)COc1c(/C=C/C(=O)c2cccc3ccccc23)cc(Br)cc1OC 1874583424 MICHJWHHRMUJMZ-VAWYXSNFSA-N 437.333 6.462 30 10 IKEE C=C(C)COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(OCCCCCCC)cc1 1874584473 PQFZHCIYESHVGU-VHEBQXMUSA-N 442.599 8.040 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(F)c(F)c2)c1OCc1cccc2ccccc12 1874585534 YIWJRRTVVZWSFP-FYWRMAATSA-N 430.450 6.602 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OCCc1ccccc1 1874622872 ZYSHZNPINYIZQZ-GZTJUZNOSA-N 428.572 6.900 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OCC(=O)Nc1ccccc1CC 1874625679 QTQXIZVXFPXDHL-OQLLNIDSSA-N 447.506 5.700 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OCc3ccccc3C)c(Br)c2)c(C)c1 1874633950 CZAMIGQHXPRFEA-PKNBQFBNSA-N 449.388 7.158 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2ccc(OCc3ccccc3C)cc2)cc1Cl 1874636965 BLWKPCKEFMRREI-FMIVXFBMSA-N 427.327 6.786 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1OC(=O)c1cccnc1 1874701920 DGRTYDWFJMDWCU-XBXARRHUSA-N 428.271 5.512 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(OC)c1OC(=O)c1ccccn1 1875095671 BBOUENCOULSFEJ-NTCAYCPXSA-N 449.506 6.087 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(Cl)c1OC(=O)c1ccccn1 1875096848 IKJFFOYMWLPSEG-FMIVXFBMSA-N 447.918 5.738 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1 1875107021 WDQGAOOWGZMAET-NTEUORMPSA-N 442.599 7.047 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)c2ccc3cc(Cl)ccc3n2)cc1 1875118492 ZFVUFYPRNVECHN-OVCLIPMQSA-N 443.886 6.012 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3cc(Cl)ccc3Cl)cc2)c1 1875138170 PLCUDAYPMITKTI-KPKJPENVSA-N 425.311 6.726 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)Cc1ccccc1OC 1875142310 VIUZOGIBWLWAOO-UKTHLTGXSA-N 448.490 5.586 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)COc2c(C)cccc2C)cc1 1875143806 RVUQPUGQEXQYAL-SDNWHVSQSA-N 430.500 5.501 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3ccco3)c(OC)c2)c1 1875144334 PEYRNGNPDOIVTK-SOFGYWHQSA-N 442.851 5.074 30 10 IKEE CSCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 1875148236 ICURBOACTHNPSF-NTUHNPAUSA-N 441.549 5.837 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)c1cncc(C)c1 1875155949 XDYBUWVQKRHCJB-IZZDOVSWSA-N 445.515 5.646 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OC(=O)C3CC3)c(Br)c2)c1C 1875169465 RQNMQPNAZIANEA-WEVVVXLNSA-N 427.338 5.894 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)cc1C 1875176016 RZUBHSAPWZGFKX-UXBLZVDNSA-N 428.572 6.711 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc(OC)c1OC(=O)CC 1875191755 CIIPBLZXSJNMSB-WYMLVPIESA-N 430.500 5.797 30 10 IKEE C=CCn1c(C(=O)N(CCC)CCCC)cc2c(NCc3ccccc3Cl)ncnc21 1875228107 AADLCRBHUXDYQR-UHFFFAOYSA-N 439.991 5.535 30 10 IKEE C=CCn1c(C(=O)N(CCCC)CCCC)cc2c(NCCc3ccccc3)ncnc21 1875228212 FPQWEMKAFSKGLM-UHFFFAOYSA-N 433.600 5.314 30 10 IKEE N#C[C@H](NCc1ccccc1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1881180109 ZXTJEGMYIQPDGO-MHZLTWQESA-N 434.539 6.199 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1926492691 LYXFKENMWJQHQH-QRQCRPRQSA-N 435.952 5.231 30 10 IKEE Cc1ccc(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 1950067229 DPNADBKBSDBFNY-PDOGEWKWSA-N 427.545 5.028 30 10 IKEE C#CC(CC)(CC)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)CC 1985773560 JQJVHNXMSHJVNU-CLOONOSVSA-N 446.591 5.248 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Cl)c(Br)c1F 2035956036 ORWQODLTRRJJDT-XJKSGUPXSA-N 435.765 5.362 30 10 IKEE CCCc1ccc([C@@H](C2CCC2)n2nc(C3CCC3)c(C=NO)c2Br)cc1 2079856006 ONCRSCSTKMTJKX-OAQYLSRUSA-N 430.390 6.063 30 10 IKEE COc1ccc([C@@H](n2nc(C(F)F)c(C=NO)c2Br)C2(C)CC2)c(C)c1 2079951277 QQPTUNXRYJKJQR-OAHLLOKOSA-N 428.277 5.098 30 10 IKEE CC1([C@H](c2ccc(C(F)(F)F)c(F)c2)n2nc(C(F)(F)F)c(C#N)c2Cl)CC1 2080052707 COYAOOYKLGRTCQ-ZDUSSCGKSA-N 425.735 5.974 30 10 IKEE COc1ccc([C@@H](n2nc(C(F)F)c(C=NO)c2Br)C(C)(C)C)c(F)c1 2080088732 RNVCCDDWVDKHHR-CQSZACIVSA-N 434.256 5.175 30 10 IKEE N#Cc1c(C2CCOCC2)nn(Cc2ccc(C(F)(F)F)cc2Cl)c1Br 2080343692 SZUOKWHBQMNSSU-UHFFFAOYSA-N 448.670 5.132 30 10 IKEE CC(C)c1cc(C(F)(F)F)ccc1-c1cc(Cl)n2nc(C3CCCCC3)c(C#N)c2n1 2081181508 SMOJCOJJDULZQU-UHFFFAOYSA-N 446.904 7.111 30 10 IKEE C=C(CC[C@H]1OC1(C)C)[C@@H]1CC[C@@]2(C)[C@H]1CC[C@H]1[C@]3(C)CCC(=O)C(C)(C)[C@H]3CC[C@@]12C 2085138103 HKRMRIDUAZDXGO-JOJHUZGWSA-N 440.712 7.754 30 10 IKEE CCCN[C@](C#N)(C[C@H](C)CC)CN(CCN(C)Cc1ccccc1)Cc1ccccc1 2086484961 SJTHCATYCDGEGT-NAKRPHOHSA-N 434.672 5.319 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@@]1(C#N)CN(Cc2ccccc2)[C@@]2(CCCOC2)C1 2100055811 PTUBAXJNHJGWSP-SVBPBHIXSA-N 447.579 5.146 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(Cc3ccccc3)[C@]3(CCOC3)C2)cc1 2100065897 CLUJLAFRZRVOCM-KAYWLYCHSA-N 447.579 5.064 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCC(C)(C)C[C@@H]2OCc2ccccc2)c1 2105748904 HULWDKBWHBOCGH-RBJSKKJNSA-N 448.607 6.794 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cccc(Br)c1C 2138851575 LARMGLLBJVGJQU-RTBURBONSA-N 425.411 5.658 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1cc2sccc2s1 2140590045 PNFWHEPLEMGLFB-CQSZACIVSA-N 449.395 6.732 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CNC2(CCCCC2)C1 2155302579 XGFREIOMBSDSLH-OAQYLSRUSA-N 434.378 5.149 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)C1=CC[C@@H](C(C)(C)C)CC1 2181549612 GHVANVAUDIDDCB-OAHLLOKOSA-N 436.390 6.751 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCC)c2c(F)ccc(F)c2Br)C1 2183005944 DWSOCKGEMIZUDX-KRWDZBQOSA-N 445.348 5.239 30 10 IKEE N#Cc1ccc(NC[C@@]23CCC[C@H]2CCN3Cc2ccccc2)c(F)c1Br 2197385906 YKHMYSPPXMLQNA-AVRDEDQJSA-N 428.349 5.317 30 10 IKEE CC(C)(C)OC(=O)NCCCc1ccccc1Nc1ccc(Br)cc1C#N 2207174236 KJDRPVYBTUANQD-UHFFFAOYSA-N 430.346 5.522 30 10 IKEE CCCC[C@@H](C[C@H](C#Cc1ccccc1Br)NCC)NC(=O)OC(C)(C)C 2235719472 NNBMKKKYWVCMHQ-OALUTQOASA-N 437.422 5.252 30 10 IKEE C=CC[C@@]1(COc2c(N)cccc2Br)CCCN(C(=O)OC(C)(C)C)C1 2272238019 HDADSGSFBHUIMB-HXUWFJFHSA-N 425.367 5.004 30 10 IKEE CC#CC[C@H](OCCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2275440793 PNGGYYBBTYANDL-VWLOTQADSA-N 444.527 5.790 30 10 IKEE CN[C@H](CC=CC#CC(C)(C)C)c1ccc(Br)cc1I 2284164811 OVFJINLRVDTIGK-MRXNPFEDSA-N 446.170 5.310 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(Br)c(C#N)c2)C[C@@H]1C(F)(F)F 2294644220 ZKYMQYYKLYSEBN-DZGCQCFKSA-N 448.283 5.063 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(CC[C@H](N)C#Cc2ccc(Br)cc2)cc1 2296305097 OWNQCMBWJRRRJV-LJQANCHMSA-N 429.358 5.108 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(OCc4ccccc4F)c3C)C2=O)c2ccccc21 2296592809 DEKYMZAPIJUBKE-UHFFFAOYSA-N 427.475 6.304 30 10 IKEE COc1ccc(C=C2Oc3cc(OCc4ccccc4F)ccc3C2=O)c(OC)c1OC 2296844790 HPGLSDJQVRZFIM-UHFFFAOYSA-N 436.435 5.047 30 10 IKEE CCOc1cc(C=C2SC(=Nc3cccc4ccccc34)NC2=O)ccc1OC(C)=O 2297109557 NUZZFSGDPCXNQZ-UHFFFAOYSA-N 432.501 5.055 30 10 IKEE CCOC(=O)c1ccc(-n2c(C)cc(C=C3SC(=Nc4ccccc4)NC3=O)c2C)cc1 2297298480 RDXBLRRUYBTFEI-UHFFFAOYSA-N 445.544 5.162 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc3C2=O)cc1 2314438045 FWMLNCVDJAPILC-UHFFFAOYSA-N 442.511 6.218 30 10 IKEE O=C(O)c1ccc(C=C2SC(=Nc3ccncc3Cl)N(C3CCCCC3)C2=O)cc1 2314543175 XIHAFWRZBVOGMR-UHFFFAOYSA-N 441.940 5.370 30 10 IKEE CC(=C1SC(=Nc2nc(C)cs2)N(c2ccccc2)C1=O)c1ccc(Cl)cc1 2314544355 ZIWLBCIFFNNSCT-UHFFFAOYSA-N 425.966 6.304 30 10 IKEE CCN1C(=O)C(=C(C)c2ccc(OC)cc2)SC1=Nc1nc(-c2ccccc2)cs1 2314544367 ZPSJELFZYXSKBK-UHFFFAOYSA-N 435.574 5.833 30 10 IKEE CC(C)(C)c1ccc(C=NN=C2SC(=Cc3cccnc3)C(=O)N2Cc2ccco2)cc1 2314818971 PJNOLZRIJFFJPP-UHFFFAOYSA-N 444.560 5.479 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@H](C#N)[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 2321289330 VYKSGJVAPBDTGP-RTBURBONSA-N 445.535 5.249 30 10 IKEE CCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccccc1C 2321395733 KTSQSYWAMPBSCV-UHFFFAOYSA-N 443.016 5.863 30 10 IKEE O=C1C(=CC=Cc2ccccc2)Oc2c1ccc1c2CN(Cc2ccc(Cl)cc2)CO1 2321957282 HDEBFQBLTHBXMO-UHFFFAOYSA-N 429.903 5.865 30 10 IKEE CC(C)OCCCN1COc2ccc3c(c2C1)OC(=Cc1c(F)cccc1Cl)C3=O 2322019762 KYXVGLIHABHWHK-UHFFFAOYSA-N 431.891 5.062 30 10 IKEE Sc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc(OCc2ccccc2)cc1 2322034899 CAMUPDITSQXLPT-UHFFFAOYSA-N 434.952 5.272 30 10 IKEE CCCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccccc1Br)C3=O 2322050986 GWAULDFMIGDLEV-UHFFFAOYSA-N 442.353 5.716 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1cccc(Br)c1)O3)CN(CC(C)C)CO2 2322071570 IJMZLPRUVRCHMP-UHFFFAOYSA-N 428.326 5.182 30 10 IKEE CCCCC1CCC(c2nnc(S)n2N=Cc2ccc(OCCC)c(OC)c2)CC1 2322106790 RKEICWYAEOJHHR-UHFFFAOYSA-N 430.618 5.710 30 10 IKEE CCCOc1ccc(C=Nn2c(S)nnc2CCCOc2ccc3ccccc3c2)cc1 2322274146 SIFCXWYFGXNHCB-UHFFFAOYSA-N 446.576 5.403 30 10 IKEE Cc1ccc(NC(=O)COc2ccccc2C=CC(=O)c2ccc3ccccc3c2)c(C)c1 2322312434 SNKUJXHVGYCFQK-UHFFFAOYSA-N 435.523 6.370 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Cl)ccc1OCc1nc(O)c2ccccc2n1 2322481621 VCTWFGBCDCWJDE-UHFFFAOYSA-N 446.890 5.473 30 10 IKEE CCCCCCCCCOc1cccc(NC(=O)C=Cc2ccc(Cl)cc2Cl)c1 2322528484 QVOOHPGSTJDHBH-UHFFFAOYSA-N 434.407 7.775 30 10 IKEE CCN(CC)C(=O)COc1c(C=CC(=O)c2c(C)cc(C)cc2C)cc(Cl)cc1OC 2322948847 FFLWIDIAFHXFJS-UHFFFAOYSA-N 443.971 5.417 30 10 IKEE CC(=O)Nc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)c1 2322953316 QBAXZTSQELDHNX-UHFFFAOYSA-N 433.847 5.134 30 10 IKEE CCCOc1c(Br)cc(C=NNc2ccc(C)c(Cl)c2)cc1OCC 2322974152 HMCDJFFAMYNCGC-UHFFFAOYSA-N 425.754 6.044 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC)c(OCc3cccc(C)c3)c2)c1 2323260638 GDQZZQZRJASCGN-UHFFFAOYSA-N 446.543 6.276 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OCc1ccccc1F 2323404216 JUTCVRFBLRLNCN-UHFFFAOYSA-N 426.487 6.853 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3Cl)c([N+](=O)[O-])c2)cc1 2323540509 LRCVBOAWKAYHTK-UHFFFAOYSA-N 449.934 7.066 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)ccc1OCC(=O)Nc1cc(C)ccc1C 2323627143 MFCKVAKSCOTFNI-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc(O)c2CN2CCCc3ccccc32)C1=O 2324023659 RKAJWFUJYOFDHR-UHFFFAOYSA-N 427.500 5.360 30 10 IKEE Cc1cc(O)c(CN(C)Cc2ccccc2)c2c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O2 2324077546 BXIFZXGHRLTITK-UHFFFAOYSA-N 441.571 6.246 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2C)C3=O)cc1 2324451414 JJJBJAKPJFYWQR-KRWDZBQOSA-N 429.472 5.026 30 10 IKEE Cc1cccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2cccc(F)c2)C3=O)c1C 2324499200 NRFAXVQXYQJTME-SFHVURJKSA-N 445.490 5.773 30 10 IKEE Cc1ccc(C)c(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(Cl)cc3Cl)n2)c1 2324561020 BIUBWBNOAXUTMM-GOSISDBHSA-N 427.356 6.623 30 10 IKEE CCOC(COc1cc(C)c2c(c1)OC(=Cc1cn(CC)c3ccccc13)C2=O)OCC 2324741641 FQVGQUTVDZUPGU-UHFFFAOYSA-N 435.520 5.364 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3cc(OCCc4ccc(C)cc4)ccc3C1=O)cn2C 2325369916 IOOJRVWHJATCKT-UHFFFAOYSA-N 439.511 5.733 30 10 IKEE CCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2325610459 NLGNFKBWYJREJZ-UHFFFAOYSA-N 436.324 5.230 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccccc3Cl)c2)cc1 2325704127 MBZYPKMONYKCJG-UHFFFAOYSA-N 434.919 5.955 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC)c(OC(=O)C34CC5CC(CC(C5)C3)C4)c2)c1 2325706738 QEMLBCPYCSLEPP-UHFFFAOYSA-N 446.543 5.722 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccccc3Cl)c2)cc1 2325733619 VLTFOJOXNDSZNP-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OC(=O)CC12CC3CC(CC(C3)C1)C2 2325737803 FQXXFMPNXPHJQS-UHFFFAOYSA-N 444.571 6.412 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)CCCOc3ccc(Cl)cc3)c2)cc1 2325738488 UHWFLGUWIOFLNK-UHFFFAOYSA-N 434.919 6.309 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cccc(C)c3)c2)cc1 2325738884 GOOXAPKSNALBRJ-UHFFFAOYSA-N 430.500 5.908 30 10 IKEE CCCOc1cccc(C=Nn2c(CC)nnc2SCc2ccc(Cl)cc2Cl)c1 2326703439 SJPJFSHZZJRBAF-UHFFFAOYSA-N 449.407 6.111 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3C)n2N=Cc2ccc[nH]2)c(C)c1 2328880147 SVTIFSSALQGGAF-UHFFFAOYSA-N 431.565 5.285 30 10 IKEE Clc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2ccccn2)cc1 2329102919 VUNDFPHMZVHSOQ-UHFFFAOYSA-N 433.968 5.134 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)C[C@@H]2C[C@H]1CC2(F)F 2329113395 PYKFKOGSFWVNHL-ZJNRKIDTSA-N 427.289 5.518 30 10 IKEE C=CCN(CC=C)C(=O)Oc1cccc2c(NC(=O)C=Cc3ccc(Cl)cc3)cccc12 2330019486 ROABWGSWXNUAGT-UHFFFAOYSA-N 446.934 6.318 30 10 IKEE Cc1cccc(CSc2nnc([C@H](C)c3ccccc3)n2N=Cc2ccc(O)c(O)c2)c1 2330075780 QOJZMIKEVBLRQC-GOSISDBHSA-N 444.560 5.324 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2ccccc2F)cc1 2330649147 MPZOUWGAMKJGHY-UHFFFAOYSA-N 445.523 5.006 30 10 IKEE Cc1cccc(CSc2nnc(CC(C)(C)C)n2N=Cc2cn(C)c3ccccc23)c1 2330821827 FUZZYCFKPZYRGZ-UHFFFAOYSA-N 431.609 5.841 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(CC)cc3)c(OC)c2)cc1 2330850952 JUKVPPUGTQNKCZ-UHFFFAOYSA-N 442.555 6.716 30 10 IKEE COc1cccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccc(Cl)cc2)c1 2330866717 MCRSUCNJNKYQHT-UHFFFAOYSA-N 428.989 5.703 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(OC)c1OC(=O)CCCSC 2330911472 RASVGTFMGJZCEY-UHFFFAOYSA-N 434.941 5.302 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)cc2F)c([N+](=O)[O-])c1)c1ccc(F)cc1F 2331094086 UAKHMTVINUPJLT-UHFFFAOYSA-N 445.324 5.267 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(F)c(F)c1 2331154659 CWUQCSZEWORCSW-UHFFFAOYSA-N 442.845 6.132 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1)c1ccccc1 2331170207 GCRKBCGFGIINAZ-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2)cc1 2331491391 CESAKFJDTNOYAY-UHFFFAOYSA-N 426.556 6.807 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CCC2)c1OC 2331525642 FVZUVGGAAJHAFX-UHFFFAOYSA-N 442.972 5.391 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1Cl 2331557603 QCAAVTXHDXGAER-UHFFFAOYSA-N 426.846 6.053 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OC 2331715347 PKOPXCVXJZSRBV-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccccc2)c(Cl)c1 2331743257 OWMHZBCYVUZFLZ-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1OCC 2331863119 WWWHYIOHEZZNJC-UHFFFAOYSA-N 441.738 6.647 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2cc(Br)cc(F)c2C#N)C[C@H]2CCC[C@H]21 2360241348 DTZUNNHHNONNNM-UVBSCNOISA-N 438.341 5.050 30 10 IKEE O=C1N/C(=N\c2ccc(F)cc2)S/C1=C/c1cccn1-c1ccc(Br)cc1 1010917 XLWSKUBLWXTHOA-LDADJPATSA-N 442.313 5.271 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccccc2)nc2scc(-c3ccc(C)cc3)c2c1=O 8950510 MTSNCWKXOWXRGT-UHFFFAOYSA-N 447.585 5.350 30 10 IKEE Cc1ccccc1CSc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)N2 9856531 PPEDSTPBPBKUJN-NRFANRHFSA-N 436.968 5.554 30 10 IKEE Cc1ccc([C@]2(C(F)(F)F)N=C(Nc3ccccc3)C3=C(CC(C)(C)CC3=O)O2)cc1 12618994 DLUSXSDVLAVCRZ-QHCPKHFHSA-N 428.454 5.894 30 10 IKEE COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccn2)c1 21226220 KCFRBPZQELYZPJ-DXPJPUQTSA-N 427.504 5.078 30 10 IKEE CCCCCCCCCCCCCCCCCCSCCNC(=O)c1cccnc1 33353745 MDCWCMBOZLCTFU-UHFFFAOYSA-N 434.734 7.806 30 10 IKEE NC1=C(c2nc(-c3ccc(F)cc3)cs2)C(=O)CN1c1ccc(Oc2ccccc2)cc1 35931976 PCQFDEABSXGOJI-UHFFFAOYSA-N 443.503 5.458 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\Oc3ccc(C)cc3C2=O)cc1Cl 39842411 RVIBQNMIKQSMIR-OYKKKHCWSA-N 442.902 6.126 30 10 IKEE O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)c1ccc(NC(=O)c2cccs2)cc1 39850893 PRIDJWGLBUBSIV-ACCUITESSA-N 433.916 6.810 30 10 IKEE C=C(C)C(=O)NCCc1nc2ccccc2n1CCCCOc1cc(C)c(Cl)c(C)c1 40203826 VDZPVRBNVPTZPR-UHFFFAOYSA-N 439.987 5.401 30 10 IKEE Cc1ccc(C)c(OCCCC(=O)Nc2sc(=S)c3c(c2C#N)CC[C@@H](C)C3)c1 41015644 NQWNMQLXYZQRDD-CQSZACIVSA-N 426.607 5.889 30 10 IKEE CC[C@H](C)c1ccc(/N=C(\NCc2ccncc2)NC(=O)c2ccc(F)c(Cl)c2)cc1 45940432 ABKPMXPREWLUPG-INIZCTEOSA-N 438.934 5.595 30 10 IKEE O=C1/C(=N\Nc2cccc(Cl)c2)c2ccccc2N1C(c1ccccc1)c1ccccc1 59158187 HQEMWHATNDANTB-JVCXMKTPSA-N 437.930 6.292 30 10 IKEE CCOc1cc(C#N)c2cc(C#N)ccc2c1-c1c(OCC)cc(C#N)c2cc(C#N)ccc12 71257441 AWTQHZGLRRDLJM-UHFFFAOYSA-N 442.478 5.944 30 10 IKEE CCCCCCOc1ccc(C(=O)NC(=S)N(CCC#N)CCc2ccccc2)cc1 100438345 FHNWVGBGGCEAKN-UHFFFAOYSA-N 437.609 5.119 30 10 IKEE CCCCCCCCCCCCCC(=O)Nc1ccc(NC(=O)c2ccccc2)c(C)c1 100442771 DPDLAKZYOWGQOH-UHFFFAOYSA-N 436.640 7.887 30 10 IKEE CCCCCCCSc1nnc2c(n1)O[C@@H](C(=O)c1ccccc1)Nc1ccccc1-2 101007400 MSOZYYWGVCBILY-QHCPKHFHSA-N 434.565 5.614 30 10 IKEE CC1(C)C(=S)N(c2cccc(C(F)(F)F)c2)/C(=N/C2CCCCC2)[C@H]1N1CCCC1 102221855 RXUHEUITNJXKRA-BQONFIEISA-N 437.575 6.075 30 10 IKEE CC1=NN(c2ccccc2)C(=C\c2ccc(Cl)cc2)/C1=N/c1ncc(Cl)cc1Cl 103458702 GMZPGJVFAYPWTJ-SSXIMGIISA-N 441.749 7.052 30 10 IKEE CCn1c(S[C@@H](C)C(=O)Nc2cccc(C#N)c2)nnc1-c1ccc(C(C)(C)C)cc1 104579572 GTHDURCGXXETKV-INIZCTEOSA-N 433.581 5.253 30 10 IKEE CCCCO[C@@H]1Oc2ccc(C)cc2C(=O)/C1=C\Nc1nc2c(Cl)cccc2s1 109206795 IDRMWPKNUVIWBO-FFXXTYGZSA-N 428.941 5.972 30 10 IKEE COc1ccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccc(C)cc2C)cc1 169925906 YYVKISUADLREPD-AREMUKBSSA-N 441.527 5.414 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@@H](c2cccc(OCc3ccccc3)c2)NC(=S)N1C 169934711 CHDURMJJMJSKHV-XMMPIXPASA-N 428.557 5.284 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1Cc1cccs1 169939592 ZKEAMMQAGMAODW-FQEVSTJZSA-N 439.920 5.189 30 10 IKEE COc1ccc(/C=N\Nc2nc(-c3ccc(Cl)cc3)cs2)c(Br)c1O 169941573 KSHIRRDQTQZMGW-ZBKNUEDVSA-N 438.734 5.386 30 10 IKEE CCCCOc1ccc(/C=N\Nc2nc(-c3cccc(OC)c3)cs2)cc1OCC 169943431 WFCKOBIBGMCVFQ-IWIPYMOSSA-N 425.554 5.842 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2cccc(C)c2)cc1 170028308 GQLNAKAYHMFCIR-QHCPKHFHSA-N 447.918 5.830 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccc(Cl)cc2)cc1C 170058742 ZZKWVKIYWNSSDG-JOCHJYFZSA-N 432.907 5.130 30 10 IKEE Cn1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2)c2ccccc21 170084000 XMLHPZULTGUFCN-HSZRJFAPSA-N 426.447 5.100 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1cccc(C)c1 170139172 GLXWOWSQOXWIOV-QFIPXVFZSA-N 433.529 5.152 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccs2)cc1C(C)C 170156555 MGNHUEGEBKYDBH-HSZRJFAPSA-N 447.556 5.971 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccccc1)c1cc2cc(Cl)ccc2o1 170222885 BNNPIBRYBFWOJJ-QFIPXVFZSA-N 447.849 6.008 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2C2CCCC2)cc1 170246337 YLFGQTMXGLEHPJ-GKVSMKOHSA-N 445.559 5.654 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccc2F)cc1C 170248609 CAIAESLTYHJXTH-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCO3)=C(O)C(=O)N1c1ccccc1C 170273239 WIDSAFQDBHEYHH-RUZDIDTESA-N 439.511 5.411 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccccc1C 170278586 XKKTUVIQROKDMH-OAQYLSRUSA-N 439.939 5.486 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccco2)c1 170284874 LAWSVVBMQIKSKT-QHCPKHFHSA-N 431.488 5.468 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2ccc(Cl)cc2)cc1Cl 170375856 VCCOVDIHUHHPAC-FQEVSTJZSA-N 439.298 5.480 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(C(C)C)cc2)cc1 170452278 OCLVIJILDQZRHD-XMMPIXPASA-N 448.607 6.171 30 10 IKEE Cc1cccc([C@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2nc3cc(F)c(F)cc3s2)c1 170461579 CEZGPWPDYJJXMQ-SFHVURJKSA-N 428.460 5.008 30 10 IKEE CCN(CC)c1ccc(C=NN=C2CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]23C)cc1 254405822 XLLVCEWUWMRFCJ-NFWVVERESA-N 443.635 6.570 30 10 IKEE CCOC(=O)Nc1sc(NN=Cc2ccc(C(C)(C)C)cc2)nc1-c1ccc(C)cc1 254740134 LEAQEZSQLUXUMZ-UHFFFAOYSA-N 436.581 6.430 30 10 IKEE COc1ccc2c(c1)c(C=NNc1ncnc3scc(-c4ccccc4)c13)c(C)n2C 254895679 BNWBHBFIFIHSHO-UHFFFAOYSA-N 427.533 5.613 30 10 IKEE C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)OC)[C@@H]1CCc1ccoc1CN1CCC(C)CC1 504594849 ZGHHYFNDDMTZKI-CJLVWDJLSA-N 441.656 6.396 30 10 IKEE biogenic CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccccc2C#N)[C@H]1c1cccs1 526608423 DPASXLPYEPHAPH-NRFANRHFSA-N 432.501 5.084 30 10 IKEE CC(C)COc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(F)c2)c1 526743586 BDBCXIHFVZVQLT-DEOSSOPVSA-N 445.490 5.643 30 10 IKEE CCCc1nnc(SCc2ccccc2)n1/N=C\c1cc(Cl)c(O)c(Cl)c1O 526799674 IPHHRLPTCRLBLA-YVNNLAQVSA-N 437.352 5.123 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2cccc(O)c2)cc1 526805432 MEQXJPYCCYGHPO-ONUIUJJFSA-N 428.561 5.252 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccc(Cl)cc1 526818176 VHQASDQJZCNJDQ-MSXFZWOLSA-N 437.371 6.241 30 10 IKEE FC(F)(F)Sc1cc(C(F)(F)F)cc(I)c1C(F)(F)F 575340638 SNEBTJZRNVEUSW-UHFFFAOYSA-N 440.068 5.941 30 10 IKEE N#Cc1cccc(NC(=O)Nc2ccc(C(=O)NC(c3ccccc3)c3ccccc3)cc2)c1 586690027 YHHKEBANDFTNSI-UHFFFAOYSA-N 446.510 5.722 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@@H](C#N)c1cc(F)cc(Br)c1 698830455 VXZYHTROCXNMKW-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE O=C(/C=C\c1ccc(Br)cc1)c1ccc(N=Cc2c[nH]c3ccccc23)cc1 1084179143 AZTYMGXTIWERII-ZRYCDEJWSA-N 429.317 6.577 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)CCSc2n[nH]c(NN=C/C=C\c3ccccc3)n2)cc1 1084655485 CJZNKPPDMIVHKI-HVJHJVSRSA-N 448.596 5.550 30 10 IKEE COc1ccc(NC(=O)[C@@]23CC[C@@](C)(C(=NOC(=O)c4ccc(C)cc4)C2)C3(C)C)cc1 1772722177 FIMZGZBAYRBUPC-IZZNHLLZSA-N 434.536 5.372 30 10 IKEE COc1cc(/C=C2\SC(=Nc3cccnc3Cl)N(c3ccccc3)C2=O)ccc1O 1772732623 GFLQXCCHBXJFJB-HRXHUYTNSA-N 437.908 5.258 30 10 IKEE O=C1/C(=C/c2ccc3c(c2)OCO3)SC(=Nc2cccnc2Cl)N1C1CCCCC1 1772732825 GTQFJUIHFWDJRY-JKJUGIAJSA-N 441.940 5.400 30 10 IKEE CCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=Nc1nc(-c2ccccc2)cs1 1772734951 FYDBAELMJGRYIR-AQEWOIMGSA-N 436.518 5.342 30 10 IKEE CN(C)c1ccc(/C=C2\SC(=Nc3ccncc3Cl)N(C3CCCCC3)C2=O)cc1 1772737019 MVBPHCFXQKKTRI-RNJGGXIZSA-N 441.000 5.738 30 10 IKEE COc1ccc(/C=C2/SC(=Nc3nc(-c4ccccc4)cs3)N(C)C2=O)c(OC)c1 1772738037 NEKHHGIUODGCTO-CIOOEQDQSA-N 437.546 5.061 30 10 IKEE C[C@@]12CC[C@@H](OS(C)(=O)=O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)C(c3cccnc3)=CC[C@H]12 1857788223 LSAACYNNLMENON-LRZLNXMSSA-N 427.610 5.383 30 10 IKEE COc1ccc(CCCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1 1859650598 YCDJPHBSEFTVLB-UHFFFAOYSA-N 436.511 6.455 30 10 IKEE Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc(NC(=O)c3cccc(C#N)c3)cc2)c(C)c1 1860160100 VNHUQAPZPFWHEZ-LJQANCHMSA-N 427.504 5.142 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)c1ccccc1C(F)(F)F 1861044701 OCQKDROQICHFST-QFIPXVFZSA-N 428.539 5.861 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 1861125489 IOHUIPQYPQMNPK-UFIOJNINSA-N 431.577 5.150 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(OC)c(C)c2)n(Cc2ccccc2Cl)n1 1862336008 SHACPVKEUDDCBC-UHFFFAOYSA-N 435.955 5.383 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862413670 ILDGBYBJDJUMQT-CMJOXMDJSA-N 449.453 5.313 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1cccc(OCc2ccccc2)c1 1862423864 MKFXIZJWVCSAGL-HSZRJFAPSA-N 449.453 5.142 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc(O)c1 1862430939 VZIJNVPFHYHABQ-QFIPXVFZSA-N 441.955 5.984 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@@H]2c2ccc(O)cc2)c1 1862430961 WIQDDXATAAQCIL-QFIPXVFZSA-N 433.891 5.133 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2cccs2)c1 1862431986 SWJINYWPROXFON-FQEVSTJZSA-N 439.920 5.189 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccc(Cl)cc1)c1cccc(Cl)c1 1862445336 STODLYYVPFXWAT-NRFANRHFSA-N 444.358 6.295 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccccc2Cl)c1 1862491547 VZMSKSYYRLPPJY-QFIPXVFZSA-N 441.955 5.350 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2Cl)ccc1F 1862502754 IHFZBEDOFNCYHL-NRFANRHFSA-N 427.903 5.699 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccccc2)cc1 1862513986 GTZZSXZBOTXCPA-DEOSSOPVSA-N 445.490 5.393 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2ccc(Cl)cc2)cc1 1862515886 GJPLWVUGXDPZEJ-QVKFZJNVSA-N 427.928 5.506 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(OC)cc3)[C@H]2c2ccccc2F)cc1 1862529606 ILDYNCFKRXFXLG-DEOSSOPVSA-N 445.490 5.175 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2Cl)cc1 1862536100 QTYAAQQDRCBZJJ-JOCHJYFZSA-N 432.907 5.076 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc(Cl)cc2Cl)cc1 1862538474 HTMODCNRJJGLGH-FQEVSTJZSA-N 432.347 5.790 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCC)cc1 1862624358 WSFXYOBFWRMNIB-DEOSSOPVSA-N 449.591 6.151 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccc1 1862648702 IOJFLEBVBWJFMT-RUZDIDTESA-N 443.543 5.625 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 1862668773 HFFOOBQONBZSRX-HXUWFJFHSA-N 429.438 5.593 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 1862675888 VWSHBPDNDUKSHK-NRFANRHFSA-N 427.903 5.780 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc2cc[nH]c2c1 1862678358 MPABUGZDETXJCM-AECOYVPUSA-N 432.495 5.464 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862678389 MUTHUZPUMVXGQA-XMMPIXPASA-N 447.481 5.867 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2cccc(C)c2)cc1 1862687099 GNQKEDHWDPICQV-XMMPIXPASA-N 427.500 5.091 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccccc1C 1862699715 WYEVHLYWUPQNAO-HYBUGGRVSA-N 435.564 5.941 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)c1 1862700498 HXMRAIBVHLFPCZ-QMHKHESXSA-N 447.918 5.688 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1cccc(OCCC)c1 1862707159 PBRNRGHUEGEUQF-QHCPKHFHSA-N 437.536 5.253 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccc1Br 1862719827 SKDFCKOPPQBXND-HXUWFJFHSA-N 436.305 5.201 30 10 IKEE N#Cc1ccc(N2C(=O)C(Nc3ccccc3F)=C(c3cccc4ccccc34)C2=O)cc1 1862849629 XYVVGWSJXUOXKY-UHFFFAOYSA-N 433.442 5.247 30 10 IKEE Cc1cccc(NC2=C(c3ccc(OC(C)C)cc3)C(=O)N(c3ccccc3C#N)C2=O)c1 1862992276 PXJKSRYMTVKZCN-UHFFFAOYSA-N 437.499 5.051 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(Cl)cc2C)=C(c2ccc(F)cc2)C1=O 1863143286 HSSVFFDKRIFNAS-UHFFFAOYSA-N 442.962 6.340 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N2C[C@@H](C)C[C@@H](C)C2)nn1-c1ccccc1Cl 1870018542 CQHSNGPIBDGHFB-KDURUIRLSA-N 446.039 6.092 30 10 IKEE Cc1ccccc1-c1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(Cl)cc2Cl)cc1 1870148117 WEMMIKVDKYPEGX-UHFFFAOYSA-N 448.313 5.674 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCC(C)C)c(=O)cc1CSC(C)C 1870255874 HCZQUUFRSINGLP-UHFFFAOYSA-N 425.635 5.428 30 10 IKEE N#Cc1ccc(COc2cn(CCC3=CCCCC3)c(CN3CCCCCC3)cc2=O)cc1 1870350531 KFIWLCFNGBMJAC-UHFFFAOYSA-N 445.607 5.565 30 10 IKEE CCCCCCCCn1cc(OCc2cccc(F)c2)c(=O)cc1CN(CCC)CCC 1870614334 HHCOEXIVHIOOMY-UHFFFAOYSA-N 444.635 6.549 30 10 IKEE C=CCOc1cn(C[C@@H](O)c2ccc(Cl)cc2)c(CNc2cc(C)cc(C)c2)cc1=O 1870812908 NUCZYFMZRPBKDN-XMMPIXPASA-N 438.955 5.029 30 10 IKEE CCCCCCCOc1cn(CCN(C)C)c(CNc2ccc(C(C)C)cc2)cc1=O 1870838066 MSIUKPJPMFEZDW-UHFFFAOYSA-N 427.633 5.495 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc4c(c1)OCO4)O3)CN([C@@H]1CCCC[C@@H]1C)CO2 1871351035 HBCCYXDBAPIPAX-NKMGXEADSA-N 433.504 5.071 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O3)CN([C@H]1CCCC[C@H]1C)CO2 1871351200 PJLDUADOUXZVQW-LIWMECDISA-N 434.492 5.250 30 10 IKEE COc1ccc([C@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2ccccc2OC)C4=O)cc1 1871354493 RZXZRHVZPSAVFM-MQKZQLNTSA-N 443.499 5.233 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc(C)cc4)ccc3C2=O)c2ccccc21 1871366999 SMXFOSASOSWKNA-GARPFDDUSA-N 449.506 6.205 30 10 IKEE Cc1cc(O)c(CN2C[C@H](C)C[C@@H](C)C2)c2c1C(=O)/C(=C/c1c(Cl)cccc1Cl)O2 1871396839 YEJBOWMVRDWRGL-RYXVLCDZSA-N 446.374 6.102 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2sccc2C)C3=O)cc1 1871410560 DRJHKIXDSJUNMM-VVRYKASASA-N 447.556 5.950 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccccc2C)C3=O)c(C)c1 1871414968 YTACEFFANOTUBA-UQEONJGVSA-N 441.527 5.942 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccc(F)cc1)C2=O 1871431416 SBXFNEPLQMQARZ-NLKUQUHMSA-N 445.490 5.773 30 10 IKEE CCc1cccc(CC)c1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O 1871455248 HRVADFJYWFZFQW-OYKKKHCWSA-N 445.490 5.584 30 10 IKEE CC(C)c1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O 1871456177 QIVBTLXQTKPXLP-CFRMEGHHSA-N 431.463 5.583 30 10 IKEE Cc1cccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2Cl)C3=O)c1 1871456245 UMPREACEKIUJMO-UUYOSTAYSA-N 433.891 5.591 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(Cl)cc1)[C@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1871892034 NKCIOZFMGJAILG-VGOFRKELSA-N 449.016 5.187 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(=O)(=O)C1CC1 1872209737 LJGAVVPUOUELFO-XMMPIXPASA-N 440.609 5.140 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(Cl)c(C)c1)C(C)C)S(=O)(=O)c1ccc(C)cc1 1872296783 VEIJUCDPNNJHEG-QFIPXVFZSA-N 449.016 5.187 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1cccs1 1872497991 PDKXQLSSOHEFQX-SFHVURJKSA-N 441.018 5.084 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccccc1 1872556364 DQZNHVJHVDEDDL-HSZRJFAPSA-N 428.598 5.068 30 10 IKEE COc1ccccc1-c1csc([C@@H](C#N)C(=O)/C=C/c2ccc(Cl)c(Cl)c2)n1 1872764116 ZYSJVEYRLJDAGR-HEWZJLJBSA-N 429.328 6.015 30 10 IKEE COc1ccccc1CC(=O)[C@H](C#N)c1nc(-c2cccc(Br)c2)cs1 1872764250 IOHDNHCBMMNYRY-INIZCTEOSA-N 427.323 5.000 30 10 IKEE N#C[C@@H](C(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1nc(-c2ccccc2)cs1 1872765976 ADQQORPVRBQYIM-NRFANRHFSA-N 449.491 5.101 30 10 IKEE Cc1ccc(C)c(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(Cl)c(Cl)c3)n2)c1 1872772136 KQWJLSCYWIPWIL-JKNJVXJCSA-N 427.356 6.623 30 10 IKEE CC(C)c1ccc(-c2csc([C@H](C#N)C(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1 1872776594 SPAJZGCYRMKNDZ-QGZVFWFLSA-N 425.897 5.985 30 10 IKEE CCOc1ccc(CCC(=O)[C@@H](C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1OC 1872777805 WRBAZAFVZCJIPF-GOSISDBHSA-N 445.544 5.508 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3cccc4ccccc34)n2)c2ccccc12 1872788231 XNOMRAQFOVHPIS-XMMPIXPASA-N 448.547 6.544 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(C(C)(C)C)cc3)n2)cc1C 1872788244 YCQVDCAFEVYRJR-FQTAANOTSA-N 444.600 6.623 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCOC)=C(c2cccc(Cl)c2Cl)C1=O 1873125761 MXPFLBQDNWTARU-UHFFFAOYSA-N 441.399 5.060 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(OC)c(Cl)c2)=C(c2cccc(Cl)c2Cl)C1=O 1873341660 MDPQQSXMZSQCOX-UHFFFAOYSA-N 437.710 5.033 30 10 IKEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3ccc(OCC(C)C)cc3)c(=O)oc2c1 1873957894 NGOLQVKCFBGZCG-UHFFFAOYSA-N 449.547 5.662 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2C)n1/N=C/c1ccc(CC)cc1 1874249846 NYMFNKRCAFFYCA-YZSQISJMSA-N 434.609 5.711 30 10 IKEE Cc1cccc(/C=N/n2c(COc3c(C)cccc3C)nnc2SCc2ccccc2)c1 1874300920 ZBUWUYDEPUPHCT-JVWAILMASA-N 442.588 5.957 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccc(C)cc3C)n2/N=C/c2cccnc2)c1 1874325650 AIOOHPLOPNXQBE-JFLMPSFJSA-N 443.576 5.352 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1c(Cl)cccc1Cl 1874357903 FIXGYYPPFDGTDB-BRJLIKDPSA-N 445.419 6.343 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccccc2F)n1/N=C/c1cccc(F)c1 1874375256 NMCKKDZJTBDGJR-JFLMPSFJSA-N 434.515 5.630 30 10 IKEE Fc1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SCc2ccccc2)c(F)c1 1874375880 RWUYZPRPVMBYJZ-MZJWZYIUSA-N 438.478 5.461 30 10 IKEE Cc1ccc(CSc2nnc([C@@H](C)c3ccccc3)n2/N=C/c2cccc(Cl)c2)cc1 1874392721 SJXUQFLGBXMNQT-FQNOVECQSA-N 447.007 6.566 30 10 IKEE Cc1cccc(CSc2nnc([C@H](C)c3ccccc3)n2/N=C/c2ccc(O)c(O)c2)c1 1874393573 QOJZMIKEVBLRQC-GTPWMTBTSA-N 444.560 5.324 30 10 IKEE CCSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1cc(Br)ccc1F 1874397363 XOMDSMDQWXGQBR-AEOXGOBCSA-N 433.350 5.326 30 10 IKEE CCSc1nnc(CCc2ccccc2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874402614 DIARLBSVCKNJNE-ZXVVBBHZSA-N 442.588 5.637 30 10 IKEE Oc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2cccc(Cl)c2)cc1 1874404363 ULWYJQLAZVUBRD-WGOQTCKBSA-N 448.979 5.597 30 10 IKEE Clc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C/c2cccnc2)cc1 1874404918 WMBVWZUKPUZGDF-WGOQTCKBSA-N 433.968 5.286 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccccc2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874425850 DRKARTVWUFJDFV-BUVRLJJBSA-N 429.505 5.336 30 10 IKEE CCCSc1nnc(-c2ccccc2)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874429218 XLKLVPHWDWAHDV-NLRVBDNBSA-N 442.544 5.549 30 10 IKEE C=C(C)CSc1nnc(-c2ccco2)n1/N=C/c1ccc(OCCCC)c(OC)c1 1874466492 MMUZUFGVGCVTEJ-OEAKJJBVSA-N 426.542 5.276 30 10 IKEE Clc1cccc(Cl)c1/C=N/n1c(SCc2ccccc2)nnc1-c1ccco1 1874466737 YUYLQYPPVUCWDQ-FSJBWODESA-N 429.332 6.019 30 10 IKEE CCOc1cc(/C=N/n2c(SC)nnc2C(C)(C)C)ccc1OCc1ccc(C)cc1 1874481136 SHMJQLKIZKKTLG-MFKUBSTISA-N 438.597 5.466 30 10 IKEE Cc1cccc(CSc2nnc(CC(C)C)n2/N=C/c2ccc(C(F)(F)F)cc2)c1 1874489341 MQOXUXFVYQBKFL-LGJNPRDNSA-N 432.515 5.978 30 10 IKEE CC(C)Cc1nnc(SCc2ccccc2Cl)n1/N=C/c1cccc2ccccc12 1874489834 NGRLLPWJPSMIDH-CVKSISIWSA-N 434.996 6.458 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1cc(OC)ccc1OC 1874508684 PUYAGXHJQIRFKY-WGOQTCKBSA-N 446.576 5.576 30 10 IKEE CC(C)c1nnc(SCc2cccc(F)c2)n1/N=C/c1cccc(Br)c1 1874512314 RCNJLXQUTYLQOH-SSDVNMTOSA-N 433.350 5.478 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccccc1/C=C/C(=O)c1ccc2c(c1)CCCC2 1874572109 WMLHIDYGAWZJNP-WUKNDPDISA-N 439.555 6.096 30 10 IKEE CCc1ccc(NC(=O)COc2c(/C=C/C(=O)c3ccc(CC)cc3)cccc2OC)cc1 1874572279 FPTSZAUOYRWHNZ-OBGWFSINSA-N 443.543 5.734 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c1 1874581889 LAZLQOJAMKTJCV-NTCAYCPXSA-N 441.571 6.515 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1c(OCc2ccc(C)cc2)ccc2ccccc12 1874592016 NWIWTEIHUXISOS-BUHFOSPRSA-N 442.942 7.285 30 10 IKEE CCCN(CCC)C(=O)COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OC 1874593051 PJLBKUHDMFSVBT-GXDHUFHOSA-N 445.559 5.772 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OCC(=O)Nc1ccc(C)cc1 1874600292 DVIKBLWRONBYCT-XYOKQWHBSA-N 443.543 5.842 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1cccc(C)c1 1874614612 VGLKZQQVWAHFLP-NTUHNPAUSA-N 449.934 5.961 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OCc1ccccc1 1874627249 ONYVVSCOHVJPLJ-ACCUITESSA-N 430.544 6.611 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccc(C)cc1 1874633368 YTRNLBIWSNKJIN-MDWZMJQESA-N 429.516 5.534 30 10 IKEE Cc1cccc(COc2ccc(/C=C/C(=O)c3cc(Cl)ccc3Cl)cc2Cl)c1 1874637695 NLBIOKWWMQTZGB-WEVVVXLNSA-N 431.746 7.430 30 10 IKEE CCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCC 1874664427 KHXACDCIUGWLTI-DEOSSOPVSA-N 427.633 5.642 30 10 IKEE COc1cccc(C(=O)/C=C/c2cccc(OC(=O)COc3ccc(Cl)c(C)c3)c2)c1 1874695008 GKRLIENNOKEVOL-FMIVXFBMSA-N 436.891 5.538 30 10 IKEE CCCC(=O)Oc1cc(/C=C/C(=O)c2ccccc2OC)c(Br)cc1OC 1874698990 XRNXXJGQFBGHRJ-ZHACJKMWSA-N 433.298 5.068 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1OC(=O)CCc1ccccc1C 1874699724 JWMSGIDEKYCZJA-KPKJPENVSA-N 436.454 5.716 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1OC(=O)c1cc(C)cc(C)c1 1874711153 RLWVQWWKCVLMHI-VQHVLOKHSA-N 444.527 6.053 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2cccc(/C=C/C(=O)c3cc(C(C)(C)C)ccc3C)c2)c1 1874715989 WCHPIWMFLGIASW-FYWRMAATSA-N 440.583 6.954 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)c1ccc(F)cc1 1875120314 NPIXAELTKVXZOX-XCVCLJGOSA-N 442.389 5.236 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)cc1)c1ccc(Cl)cc1 1875123235 YBQZOKMWUIIYSF-LXJLHJBASA-N 437.322 6.599 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc([N+](=O)[O-])c1OC(=O)CC(C)C 1875124526 PCBKHZSWSKPVDI-CMDGGOBGSA-N 431.872 5.495 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)c(F)c2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 1875126856 YUDNEJBVFJAIFW-XLUWADSXSA-N 443.789 5.642 30 10 IKEE C[C@@H](C(=O)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1Br)c1ccccc1 1875127996 IXEGINAFAUGMCV-ABDJAZHISA-N 435.317 6.054 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1cccc(C)c1 1875132286 OKRWDTPRYSAORT-UXBLZVDNSA-N 441.310 6.426 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)cc3)c([N+](=O)[O-])c2)c(C)c1 1875134657 DOQCOZXEKMRHRO-IZZDOVSWSA-N 433.435 5.395 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)c(Cl)c1)c1ccc(F)c(F)c1 1875162226 DBKBQUTTZJPIEL-XBXARRHUSA-N 443.789 5.642 30 10 IKEE COc1cc(C(=O)/C=C/c2ccc(OC(=O)C3CCCC3)c(Cl)c2)c(OC)cc1Cl 1875174075 YTYBJDYXDFFVQS-VQHVLOKHSA-N 449.330 6.002 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccncc2)c(Cl)c1 1875179971 ABWMVNNZEPBUEN-HWKANZROSA-N 442.298 5.821 30 10 IKEE C=CCCC[C@H](NCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875645927 IQMPBAPNAJMYQI-WNJJXGMVSA-N 445.603 6.212 30 10 IKEE C=CCCN(Cc1ccccc1)C(=O)c1scc(Br)c1Br 1886643625 XOGOKRKARHFCDU-UHFFFAOYSA-N 429.177 5.492 30 10 IKEE CC(C)(C)C#CCC(=O)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1886684002 HEPXDXCPVQYJDN-NDEPHWFRSA-N 442.555 5.887 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Cl)cc1Br 1898823216 DLKHHLXDKWZBCY-QZTJIDSGSA-N 443.813 5.450 30 10 IKEE CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 1941062123 RSUQBSDHCVTWQK-WZONZLPQSA-N 435.540 5.399 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1943912922 QEGZXXJDBYFGJM-WZONZLPQSA-N 449.979 5.811 30 10 IKEE CC(C)(C)OC(=O)NC1CC2(CC[C@]2(C#N)N(C(=O)OC(C)(C)C)c2ccccc2)C1 2012276004 DYGLLVOWTNJXPB-FSEIRDBJSA-N 427.545 5.158 30 10 IKEE C=C(CCNC(=O)OC(C)(C)C)CN[C@H]1CCc2cc(NC(=O)OC(C)(C)C)ccc21 2020331263 CKNABOMTRZVUJV-FQEVSTJZSA-N 431.577 5.082 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c1cccc(F)c1)C2 2041701102 CRDQXHZCQIRNAU-HROJSSOGSA-N 445.535 5.391 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)C23CCC3)cc1 2057186617 YYUGKTWYQZQNIZ-VWLOTQADSA-N 441.572 5.562 30 10 IKEE CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2067958514 SJCRREDOTVVNBU-DVECYGJZSA-N 447.551 5.495 30 10 IKEE C=C(F)C[C@@H](NCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071344432 CBQUDCDEMQOLPT-SQHAQQRYSA-N 435.539 5.729 30 10 IKEE N#CCc1cccc(NCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)c1 2134727671 KCCSYPUGBWYCLD-UHFFFAOYSA-N 434.539 6.523 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Cl)cc(Br)c1 2136650634 BKTUYFCJSLIBIU-ZWKOTPCHSA-N 443.813 5.450 30 10 IKEE N#Cc1ccc(N2[C@H]3CCC[C@H]2CN(Cc2ccccc2)CC3)c(F)c1Br 2166725550 VTMKXGCUPPDOLP-OALUTQOASA-N 428.349 5.093 30 10 IKEE CN(Cc1ccc(Br)cc1C#N)Cc1ccccc1NC(=O)OC(C)(C)C 2174561833 HDSXRIOJHVMQMW-UHFFFAOYSA-N 430.346 5.300 30 10 IKEE Cc1cc(Br)cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)c1 2228982000 WACNRZNNEURTRY-SFHVURJKSA-N 435.749 6.417 30 10 IKEE C=CCN(CC[C@@H](NCCC)c1ccc(Br)cc1C)C(=O)OC(C)(C)C 2229248305 BROCRQGPGVNRBB-LJQANCHMSA-N 425.411 5.611 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCC2)C[C@@H]2CCCC[C@@H]21 2246643963 AZEWYXQBYRYFNE-KDLAUNOPSA-N 433.593 5.238 30 10 IKEE CC[C@H](C)N(Cc1ccccc1)C(=O)c1cc(Cl)c(C)c(B2OC(C)(C)C(C)(C)O2)c1 2255651677 YZNVMPOAZYERMB-KRWDZBQOSA-N 441.808 5.389 30 10 IKEE Cc1cccc(NC(=O)OC(C)(C)C)c1C(=O)N1CCC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2268196211 ZVLPINIZKDDVHA-QGZVFWFLSA-N 444.381 5.040 30 10 IKEE C=CCCCC[C@@H](NCC)[C@](C)(O)c1cc(Br)c(Br)s1 2281283832 VMQLBXPUYNRBHY-DOMZBBRYSA-N 425.230 5.205 30 10 IKEE CN[C@H](CC=CC#CC(C)(C)C)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2284138545 ZSFNXJPHBIKWKJ-LJQANCHMSA-N 435.406 6.052 30 10 IKEE CCN(CC)c1ccc(C=C2SC(=Nc3cccc(C(F)(F)F)c3)NC2=O)c(OC)c1 2295499337 ICKZNRJEPMIZRU-UHFFFAOYSA-N 449.498 5.452 30 10 IKEE CCC[C@@]1([C@H](N)C#Cc2cccc(Br)c2)CCCCN1C(=O)OC(C)(C)C 2296288815 KQEILHWEGIDGKK-KNQAVFIVSA-N 435.406 5.088 30 10 IKEE COc1cccc(NC(=S)NN=Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2)c1 2296405152 OSSJOWBCTKNPCB-UHFFFAOYSA-N 445.523 5.008 30 10 IKEE Cc1ccc(CN2c3ccccc3C(=O)C(=CNc3ccc(C)cc3C)S2(=O)=O)cc1 2297375505 YFIMCRXSVKJXEP-UHFFFAOYSA-N 432.545 5.098 30 10 IKEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3nccs3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 2297747118 CLNFXIVJWWQZBD-HXUWFJFHSA-N 432.545 5.375 30 10 IKEE CCCCCCCCCCn1c([C@H](C)NC(=O)C=Cc2ccccc2)nc2ccccc21 2314867225 BKVDIIFTJLSEMZ-QHCPKHFHSA-N 431.624 7.068 30 10 IKEE CCCCCCCCCOc1ccc(C=NNc2nc(C)c(CCO)c(O)n2)cc1Cl 2318415376 OXUXVHZGWUNNPA-UHFFFAOYSA-N 448.995 5.254 30 10 IKEE CC(C)[C@@H]1C[C@@H](Nc2ccc(C#N)cc2Br)CN1C(=O)OCc1ccccc1 2321266614 YNUNHIUFRKMNKV-NQIIRXRSSA-N 442.357 5.168 30 10 IKEE Cc1c(OCC=Cc2ccccc2)ccc2c1OC(=Cc1cccc(Br)c1)C2=O 2321817100 CFHQPTZYVFDSEL-UHFFFAOYSA-N 447.328 6.466 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCc4ccc([N+](=O)[O-])cc4)c3C)C2=O)c(OC)c1 2321850111 GPSBZHNVTYYFNK-UHFFFAOYSA-N 447.443 5.116 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O3)CN(C1CCCCC1)CO2 2322016380 QLJYYFZDYRUTQV-UHFFFAOYSA-N 444.358 6.403 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc4c3CN([C@H](C)c3ccccc3)CO4)C2=O)cc1 2322092184 MPJHJVUKOZFAJN-GOSISDBHSA-N 427.500 5.615 30 10 IKEE COc1cccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCCc2ccccc2)C4)c1 2322214531 VIGSEWHTZUUSKD-UHFFFAOYSA-N 441.527 5.405 30 10 IKEE COc1ccccc1C=C1Oc2c(cc3c(c2C)OCN(Cc2cccc(Cl)c2)C3)C1=O 2322424155 UUXNTYDEXFDYFU-UHFFFAOYSA-N 447.918 5.625 30 10 IKEE O=C(C=Cc1ccccc1OCc1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 2322466239 DWXHCLZDKSUKLB-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cc(Cl)ccc2OCc2c(F)cccc2Cl)c1 2322617369 LCBHWYTXBYWVHJ-UHFFFAOYSA-N 429.318 7.224 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)c(C)c1C 2322818719 PORQSICTXTUURK-UHFFFAOYSA-N 440.514 7.079 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccccc2OCC(=O)Nc2cccc(C)c2C)cc1C 2322981257 AGPSMNQBMDPGFT-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE CCOc1ccc(OCC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2F)C3=O)cc1 2323076214 MQGAPWTUSFCXSN-UHFFFAOYSA-N 448.446 5.133 30 10 IKEE CCCOc1c(OC)ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)c1Br 2323149681 FPTYMOIATMCPDE-UHFFFAOYSA-N 444.152 6.449 30 10 IKEE O=C(COc1cccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)c1)Nc1ccc(F)cc1 2323150691 GVWHFDUNGKVELL-UHFFFAOYSA-N 444.289 6.046 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 2323371130 DNNVPOOBQXIGJH-UHFFFAOYSA-N 438.823 5.632 30 10 IKEE O=C(CC(c1ccccc1)c1ccccc1)Oc1ccc2c(c1)OC(=Cc1ccncc1)C2=O 2323536814 PWJFAENVQDWYPP-UHFFFAOYSA-N 447.490 5.825 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(OC)c1OCc1ccccc1Cl 2323759613 SZXTYKWDMBSBPA-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2323791636 KYQXVGXIOOOPRO-UHFFFAOYSA-N 434.875 5.883 30 10 IKEE COc1cccc(C=NNc2nc(-c3ccc(F)cc3)cs2)c1OCc1cccc(C)c1 2323840353 QJQMGHJGIQYCRO-UHFFFAOYSA-N 447.535 6.291 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccc(OCC)cc2)cc1OC 2323842867 MTMMRGRVFRVFSO-UHFFFAOYSA-N 439.552 5.017 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(OC)ccc2OC)ccc1OCc1ccccc1C 2324029695 AZLRCFURYFJALQ-UHFFFAOYSA-N 432.516 5.886 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(O[C@H](C)C(=O)Nc4ccccc4C)c3C)C2=O)c1 2324412948 MYPYYSAPMXYLBK-LJQANCHMSA-N 427.500 5.634 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)C(=Cc3ccccc3)c3ccccc3)n2)cc1 2324430175 RXBWEDGETWPPOG-DEOSSOPVSA-N 436.536 6.236 30 10 IKEE COc1ccc(OC)c(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)c1 2324611432 MWLFRVGRIXROEP-OAQYLSRUSA-N 446.572 6.014 30 10 IKEE Fc1cccc(C=Nn2c(CCc3ccccc3)nnc2SCc2cccc(F)c2)c1 2325441996 SPZZVUWQUQJXNK-UHFFFAOYSA-N 434.515 5.516 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccc(C)cc3)c2)cc1 2325709875 PTBFKDXYGFJFJY-UHFFFAOYSA-N 442.555 6.390 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccccc4C)c3C)C2=O)cc1 2325714269 FOTYHWSOHQAIOU-UHFFFAOYSA-N 443.499 5.336 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)CCCOc3ccccc3C)c2)cc1 2325719344 JUUNDTAOVRPSIY-UHFFFAOYSA-N 430.500 5.664 30 10 IKEE O=C(C=Cc1ccc(Br)cc1F)C(=O)NC(c1ccccc1)c1ccccc1 2325720527 HTEKFHWVRPZNQB-UHFFFAOYSA-N 438.296 5.076 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(CC)cc4)ccc3C2=O)cc1 2325722387 GMBRJUFIIMLUOL-UHFFFAOYSA-N 427.500 5.445 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccc(F)cc3)cc(C)c2C1=O 2325728519 PGJOMAYYRYXXOG-UHFFFAOYSA-N 447.462 5.167 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2ccc(C)cc2C)cc1OC(=O)C(C)(C)C 2325735890 LSZLFHPHGBSGSD-UHFFFAOYSA-N 445.353 5.922 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccc(F)cc2)C3=O)c1 2325740537 AIAOSPUFMZRCHN-UHFFFAOYSA-N 431.463 5.385 30 10 IKEE CCOc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3cc(C)ccc3OC)c2)cc1 2325743239 HDRHRRBZEBSVAV-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE COc1cccc(C(=O)Oc2cccc(C=CC(=O)c3cc(C(C)(C)C)ccc3OC)c2)c1 2325752631 RUWKWHOJLGEXBU-UHFFFAOYSA-N 444.527 6.117 30 10 IKEE COc1cccc(C(=O)Oc2cccc(C=CC(=O)c3cc(C(C)C)c(OC)cc3C)c2)c1 2325754004 XCPGZQSALABVGJ-UHFFFAOYSA-N 444.527 6.251 30 10 IKEE C[C@H](C(=O)Oc1cccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)c1)c1ccccc1 2325754913 ATYLQCBYAWNCPE-QFIPXVFZSA-N 448.518 7.084 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)CCc3ccc(Cl)cc3)c2)c(C)c1C 2325755605 AOFQTDOQPMCWQG-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc1OC(=O)c1ccccn1 2325763760 ROHGHAWPWORNGX-UHFFFAOYSA-N 437.879 5.176 30 10 IKEE CCOc1c(Cl)cc(C=Nn2c(CC)nnc2SCc2ccccc2)cc1OC 2326218898 CEIVVPFJBSYZMI-UHFFFAOYSA-N 430.961 5.076 30 10 IKEE CCOc1ccc2ccccc2c1C=Nn1c(C)nnc1SCc1ccc(C)cc1C 2326432952 AFLAISUMNYQLJX-UHFFFAOYSA-N 430.577 5.930 30 10 IKEE C=CCSc1nnc(COc2ccc(OCC)cc2)n1N=Cc1cccc2ccccc12 2326684234 JZWITXQONQDJEW-UHFFFAOYSA-N 444.560 5.569 30 10 IKEE CCCCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1N=Cc1sccc1C 2326878990 SXOAWEOHOFNBRQ-UHFFFAOYSA-N 446.598 5.323 30 10 IKEE C=CCSc1nnc(COc2ccccc2Cl)n1N=Cc1cc(Cl)ccc1O 2327674378 NETKPMRLSSOBCS-UHFFFAOYSA-N 435.336 5.030 30 10 IKEE Cc1cccc(C=Nn2c(Cc3ccccc3[N+](=O)[O-])nnc2SCc2ccccc2)c1 2328485999 LHAGZXURXUIOHC-UHFFFAOYSA-N 443.532 5.260 30 10 IKEE Cc1cccc(OCc2nnc(SCc3ccc(F)cc3)n2N=Cc2cccnc2)c1C 2328829462 GSCNFBJUSRQKMY-UHFFFAOYSA-N 447.539 5.183 30 10 IKEE Fc1ccc(Cc2nnc(SCc3cccc(F)c3)n2N=Cc2cccs2)cc1 2329819973 JFPOIGVYRLGSEM-UHFFFAOYSA-N 426.517 5.383 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccncc1 2330135585 JMWLWUBCWADSOD-QGZVFWFLSA-N 433.968 5.653 30 10 IKEE CC(C)COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 2330621624 FSDMEMIWLAZIRE-UHFFFAOYSA-N 445.471 5.745 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 2330833463 XUPVQBPEINQQPN-UHFFFAOYSA-N 447.462 6.192 30 10 IKEE Clc1ccc(CSc2nnc([C@@H]3CCCO3)n2N=Cc2ccncc2)cc1Cl 2331000999 HEBBRAHUSYSTBX-KRWDZBQOSA-N 434.352 5.006 30 10 IKEE Cn1cc(C=Nn2c(SCc3ccccc3F)nnc2C2CCCC2)c2ccccc21 2331070933 GXYPJTQMFXKTMM-UHFFFAOYSA-N 433.556 5.741 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3)cc2)cc1OCCC 2331109177 IXDHTTDZSADFPV-UHFFFAOYSA-N 444.527 6.380 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1 2331141317 PWLKMDLRFWFRGL-UHFFFAOYSA-N 425.311 6.428 30 10 IKEE O=C(Cc1ccccc1F)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1Cl 2331142691 WYOWVDPECHDTNF-UHFFFAOYSA-N 429.274 6.177 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(OC)c3)c(OC)c2)cc1 2331211322 JLZJLLVQXVXELG-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(Cl)c2)c(C)c1 2331222434 WSJACEHCFBXNPA-UHFFFAOYSA-N 435.863 5.980 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(Br)cc3)cc2)c1 2331313383 ISGDGWUZKCKTHF-UHFFFAOYSA-N 449.344 6.110 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)cc2)c1 2331316240 ZVYLUYKTKIEWRF-UHFFFAOYSA-N 444.487 5.393 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(-n3cccc3)cc2)cc1)c1ccc2c(c1)OCO2 2331432625 NPFCHOYOERCUIV-UHFFFAOYSA-N 437.451 5.321 30 10 IKEE Clc1cccc(CSc2nnc(C3CCC3)n2N=Cc2cccc3ccccc23)c1 2331541555 CNRUQWSLGPHUNM-UHFFFAOYSA-N 432.980 6.527 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H]3CCCO3)cc2)cc1 2331541660 WEWDWFUTTAHWKD-SANMLTNESA-N 436.548 6.016 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COCc3ccccc3)cc2)c(C)c1C 2331612418 UECUWLGLOCLUOB-UHFFFAOYSA-N 430.500 5.330 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1ccc(F)cc1 2331657432 IBUYZEMKQUZZSN-UHFFFAOYSA-N 432.491 6.183 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)c1ccccc1 2331767597 SZPRZJDJJRNPPA-UHFFFAOYSA-N 430.500 5.744 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2OC)ccc1OC(=O)c1ccc(C)cc1 2331885092 PEZQSWOSXGDEGT-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE CCC[C@@](C)(COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339605998 LGYHHBSEWSLSAY-RQOTYCFOSA-N 446.397 5.189 30 10 IKEE CC(C)c1ncccc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2367995180 HYOLFDBHPCFBTP-SFHVURJKSA-N 430.346 5.974 30 10 IKEE COc1ccccc1/C=C/C=C1/Oc2cc(OC(=O)c3ccccc3OC)ccc2C1=O 2104725 DYFAMJYCPFBQRT-CKIFIABDSA-N 428.440 5.095 30 10 IKEE C=CCc1ccc(OCCOc2cccc(/C=C3/SC(=S)N=C3O)c2)c(OC)c1 2977173 HGLDDIUSCIIHTR-XSFVSMFZSA-N 427.547 5.211 30 10 IKEE CCCCCCCCOc1ccc(/C=C2\N=C(c3cccc4ccccc34)OC2=O)cc1 3584539 DCBYIRUBXMRJLX-QOMWVZHYSA-N 427.544 6.924 30 10 IKEE CCN(CC)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 20884008 ZJDYSMAQHKTQRT-WINIVTDRSA-N 443.616 6.574 30 10 IKEE Cc1ccsc1/C=C1\S/C(=N\c2ccccc2)N(Cc2ccc(C(=O)O)cc2)C1=O 33347968 XLZSHPBJWPABFW-AXBKCQHESA-N 434.542 5.559 30 10 IKEE CCn1cc(C(=O)/C=C\c2ccc(COc3ccc(Br)c(Cl)c3)o2)c(C)n1 33522461 ZNPOFZWMDFYJIV-CLFYSBASSA-N 449.732 5.695 30 10 IKEE COc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(-c4ccccc4)cc3)c2)cc1 34954569 PJCFGXGFHQBMAP-VXLYETTFSA-N 434.491 6.478 30 10 IKEE CCc1ccccc1/N=C1\S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C(=O)N1C 38535133 FPTGZPMOTJGPMO-BTRCZGFISA-N 447.516 5.959 30 10 IKEE C/C(=C1/S/C(=N/c2nc(C)cs2)N(c2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1 39865547 ZVEZBJQUMFJSPS-VUXKIEERSA-N 436.518 5.558 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4cc5cccc(OC)c5o4)ccc3C2=O)cc1 41354155 COBDMRKGYOIUOQ-UUYOSTAYSA-N 442.423 5.285 30 10 IKEE Clc1ccc(/C=N/c2ccc3nc(SCc4nc5ccccc5[nH]4)sc3c2)cc1 59387256 NZTVKOFAHNZYEZ-WYMPLXKRSA-N 434.977 6.869 30 10 IKEE C=C(C)COc1ccc2ccccc2c1[C@H]1Nc2ccccc2C(=O)N1CCc1ccccc1 66133060 YDULCCBVKWTKHF-LJAQVGFWSA-N 448.566 6.604 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)NC(=S)Oc1ccccc1N 100307015 CTDMCZZFYWNYOD-UHFFFAOYSA-N 434.690 7.310 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S/C1=N/c1cccc(C)n1 101125551 HICWGGHPUALTMP-BBWXTVSKSA-N 434.477 5.182 30 10 IKEE CCCCCCCCCCCCn1c(CNC(=O)c2ccc(OC)cc2)nc2ccccc21 102220099 RJXMFDUSFOEODR-UHFFFAOYSA-N 449.639 6.896 30 10 IKEE C=CC/N=c1\scc(-c2ccc([N+](=O)[O-])cc2)n1/N=C(/C)c1ccc(C(C)(C)C)cc1 103454650 SCHOYLGNYZVMCU-ZDSFCLCXSA-N 434.565 5.781 30 10 IKEE COc1cc(/C=N/Nc2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)c(Cl)c1 169876672 SRNODJXAQDYCTP-LGJNPRDNSA-N 429.347 6.644 30 10 IKEE CC(C)Oc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2C2CCCC2)cc1 169979280 FXDPZITYIWKTJV-XMMPIXPASA-N 445.515 5.741 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2ccc(F)cc2)ccc1F 170064339 NPVWHGVMGGEMGY-OAQYLSRUSA-N 441.380 5.334 30 10 IKEE CCCCCCCCCCN1C(=O)C(SCc2ccccc2)=C(c2ccc(C)cc2)C1=O 170076998 GRRUGDNPVPITQK-UHFFFAOYSA-N 449.660 7.149 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccccc2C)cc1C 170088077 OGBLPGZZJCXFMQ-QHCPKHFHSA-N 433.454 5.673 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccn2)ccc1OCC(C)C 170179407 OBVPTRNUQJJILM-DEOSSOPVSA-N 448.563 5.336 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@H]2c2cccnc2)cc1 170185989 YFEZJOOYEMTNST-DEOSSOPVSA-N 442.515 5.216 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1cccnc1 170189464 GDOZLTPILUAHTO-OAQYLSRUSA-N 448.906 5.143 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@@H]1c1cccc2ccccc12 170221001 VMNLEHLGNBBPEE-VWLOTQADSA-N 443.543 5.863 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1 170226073 VNVOKCLCDZUOIW-XMMPIXPASA-N 441.527 5.776 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccccc2)cc1 170230071 WGXJVTUVXWWHKU-ISKFKSNPSA-N 449.547 5.013 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 170246440 HHBMDZWOPSSSLG-IBGZPJMESA-N 434.319 5.380 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@H]1c1cccc(O)c1 170262845 OQEYFNPCKBNQRR-JOCHJYFZSA-N 437.536 5.077 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)C[C@H](C)O3)=C(O)C(=O)N1c1ccccc1C 170273249 JFORHTHJSLHTGN-AVRWGWEMSA-N 439.511 5.410 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccco2)cc1C 170282432 PVBVIUICSTVVHC-JOCHJYFZSA-N 435.451 5.299 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@H]2c2ccco2)cc1 170287348 XTYKQHOHMNEWPT-QHCPKHFHSA-N 425.440 5.224 30 10 IKEE N#Cc1c(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)oc(-c2ccccc2)c1-c1ccccc1 170494000 MJSHQDHHRIWNEQ-DTQAZKPQSA-N 435.439 6.045 30 10 IKEE N#C[C@H](Nc1ccc(Cl)c(Br)c1)c1cc(Br)c(Cl)s1 227893059 GIVXNQLWLRIFOI-JTQLQIEISA-N 440.975 6.257 30 10 IKEE O=C(NC1CCCCC1)c1c(N=Cc2ccc(O)c([N+](=O)[O-])c2)sc2c1CCCC2 254736378 IHUMSCKLTCZJIG-UHFFFAOYSA-N 427.526 5.054 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)ccc(Br)c1F 407229765 ZTPVIPXFSGQQOF-WMLDXEAASA-N 433.337 5.237 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2cc(Cl)c(O)c(Cl)c2)c1 526514632 GINMDELGZVJFOA-SFHVURJKSA-N 443.311 5.689 30 10 IKEE Cc1ccc([C@H]2C(c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2c2ccccc2C#N)o1 526604273 GIDJVKOHPRHZIQ-DEOSSOPVSA-N 428.488 5.552 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)cc2F)cc1 526710930 VHPACFAOCRDXRY-HSZRJFAPSA-N 449.453 5.537 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1/N=C\c1cc(Cl)c(OC)c(OC)c1 526800501 RNBGWCYNVRZZHL-OYKKKHCWSA-N 444.988 5.466 30 10 IKEE COc1cc(/C=N\n2cnnc2SCc2ccc(C(C)(C)C)cc2)ccc1OC(C)C 526805022 CKSXXRJMHRPGJZ-WGARJPEWSA-N 438.597 5.546 30 10 IKEE Cc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2cc(C)ccc2C)cc1 526820050 QRLNNHFZFZIVBK-PKAZHMFMSA-N 426.589 5.969 30 10 IKEE Cc1ccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccc(C#N)cc2)o1 526822849 OPHPVPVSHSFTPE-QQXSKIMKSA-N 427.533 5.011 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)NC2CCN(C(=O)Nc3ccccc3F)CC2)c1 585858732 FVYAWYAWMIZWID-UHFFFAOYSA-N 438.547 5.090 30 10 IKEE Cc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2cccc(Br)c2)cc1 586198262 APKQZMVRCKHNIT-UHFFFAOYSA-N 441.350 5.025 30 10 IKEE CC(C)C[C@@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)C1 698481147 DBYJFICQGKYQDG-HTAPYJJXSA-N 435.406 6.689 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@@H](C#N)c1ccc(Cl)c(Br)c1 698946598 QYRBHUQNAUMHOH-AWEZNQCLSA-N 428.718 5.605 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@H](C#N)c1ccc(Br)s1 698960130 WFVDUYWPWIQGLO-CYBMUJFWSA-N 427.751 6.170 30 10 IKEE N#Cc1ccc([C@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1Cl 702592464 LVLZHRQPOQVDHV-QHCPKHFHSA-N 446.890 5.266 30 10 IKEE COc1ccc(CC2(C#N)C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)cc1Br 712806357 LZPYPGXKNKKCJQ-GWTOYCKXSA-N 435.362 5.072 30 10 IKEE C=CCN(C[C@H](NCCC)c1c(C)ccc(Br)c1F)C(=O)OC(C)(C)C 721195994 VBIFZSQWTQFFTE-INIZCTEOSA-N 429.374 5.360 30 10 IKEE O=C1/C(=C/c2c(Cl)cccc2Cl)SC(=Nc2ccccn2)N1c1ccccc1 1772732644 YKHJNXWBXUUUBF-LCQIMXFNSA-N 426.328 6.197 30 10 IKEE Cc1c(C(=O)Nc2ccccn2)oc2c1C(=NNc1cccc(C(F)(F)F)c1)CCC2 1772750828 ODDVECZZOZISRC-UHFFFAOYSA-N 428.414 5.407 30 10 IKEE Cc1cc(C)cc(NC(=S)N/N=C\c2cn(-c3ccccc3F)nc2-c2ccccc2)c1 1857811154 ZZMYUIRYOILVFZ-DICXZTSXSA-N 443.551 5.616 30 10 IKEE CCCCCCCCCOc1cccnc1NC(=O)c1cc(OCC)cc(OCC)c1 1858749917 BRWKZFCIJMNGFN-UHFFFAOYSA-N 428.573 6.261 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862395588 TWULQVCNGHMEPW-DEOSSOPVSA-N 446.547 5.125 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc(O)c1 1862430380 JEFVRNZLMDZTSO-OYHNWAKOSA-N 433.891 5.385 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CCCCC2)cc1 1862433343 ZSUZBUTTZADZNA-QHCPKHFHSA-N 437.967 6.374 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCc2ccccc2)c1 1862444244 YXARZLLDDOGABX-HSZRJFAPSA-N 431.919 5.469 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc2cc[nH]c2c1 1862446060 KIGWRTKTSZTHIX-XFEVJDRUSA-N 448.950 5.978 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(N(CC)CC)cc1 1862451820 NSCMDCREYPMURZ-JOCHJYFZSA-N 440.971 5.565 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@H]2c2ccccc2F)cc1 1862473794 GJZHPLHXOKWRIM-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@H]1c1ccccc1 1862513886 BBYDDRQVZPXNLY-RUZDIDTESA-N 449.591 6.414 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(Cl)cc2)cc1 1862535631 HXHMSACJPRAVHJ-QHCPKHFHSA-N 437.967 6.204 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccccc2Cl)cc1 1862536049 PPMFGMDPDNXAAF-QHCPKHFHSA-N 449.909 5.820 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2CC(C)C)cc1 1862539551 YJLSLRMVKZZVSI-XMMPIXPASA-N 435.564 5.662 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2cccc(O)c2)cc1 1862661307 CZZIFVPCCCVUBE-VWLOTQADSA-N 447.575 6.207 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2c(F)cccc2Cl)cc1 1862692607 PJKJECPTSATNDY-HXUWFJFHSA-N 429.875 5.009 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)cc1 1862748791 JZHZJSOXQRNTNL-XORNHQRDSA-N 448.519 5.314 30 10 IKEE Cc1cc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3cccc4ccccc34)C2=O)ccc1F 1863090116 ORBSLKQJGXKWBJ-UHFFFAOYSA-N 447.469 5.556 30 10 IKEE Cc1cc(C2=C(Nc3ccc(F)c(Cl)c3)C(=O)N(c3cccc(C#N)c3)C2=O)ccc1F 1863095626 XAFPXOQIQOKQFJ-UHFFFAOYSA-N 449.844 5.195 30 10 IKEE CC(C)c1ccc(NC2=C(c3c[nH]c4ccccc34)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1863129755 SRZAJJZNWSHICF-UHFFFAOYSA-N 446.510 5.560 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2Cl)C(=O)N(CCCCCO)C1=O 1863779019 GEVDZAQJPRDMGX-UHFFFAOYSA-N 449.035 5.313 30 10 IKEE CCCCCCCCCCNC(=O)C[C@@H](c1ccc(Cl)cc1)c1ccc(OCC)cc1 1868196671 MKYKGODSFCGCLX-SANMLTNESA-N 444.059 7.518 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC(c3nc(C)c(C)s3)CC2)nc(-c2cccnc2)n1 1869360964 PBXMVSNUSZMVAQ-UHFFFAOYSA-N 446.624 5.174 30 10 IKEE CCCCCCCCn1cc(OCCC)c(=O)cc1CN(CCCC)CCCCCC 1870658895 XDBQWVIQEBLWQK-UHFFFAOYSA-N 434.709 7.180 30 10 IKEE CCCCCCCOc1cn(CCC(C)C)c(CNc2ccc(OC)cc2C)cc1=O 1870833231 DORDERICGGLFJR-UHFFFAOYSA-N 428.617 6.173 30 10 IKEE Cc1c(Cl)cccc1NCc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCC(C)C 1871252286 SUGQJNMPANYDEC-UHFFFAOYSA-N 449.982 5.919 30 10 IKEE CCCCCCCCCCn1cc(OCCCO)c(=O)cc1CNc1ccccc1CC 1871265678 SEALQUGLXSRHKH-UHFFFAOYSA-N 442.644 5.925 30 10 IKEE CCCCCN1COc2ccc3c(c2C1)O/C(=C\c1cc(Cl)cc2c1OCOC2)C3=O 1871346690 RHZNRYVIZISPNG-FBHDLOMBSA-N 441.911 5.165 30 10 IKEE C=CCOc1ccc(C(=O)Nc2ccc3oc(C(=O)c4cccc(OC)c4)c(C)c3c2)cc1 1871358152 GCCQGQQRCDDGKH-UHFFFAOYSA-N 441.483 5.798 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)CCc4ccc(C)cc4)cc(C)c3C2=O)cc1 1871367559 RAQDTTZJLWVIHV-XYGWBWBKSA-N 426.512 6.020 30 10 IKEE Cc1cc(OC(=O)c2ccc(Cl)c(Cl)c2)cc2c1C(=O)/C(=C/c1ccccn1)O2 1871372431 QWUXSKJEDHRRMU-GRSHGNNSSA-N 426.255 5.532 30 10 IKEE Cc1cc(OC(=O)c2c(F)cccc2Cl)cc2c1C(=O)/C(=C/c1ccc(F)cc1)O2 1871375670 XDXPURZXTPFURD-GRSHGNNSSA-N 426.802 5.762 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(OC)c2)C3=O)c1 1871389190 YFIJBOPKFOBTQF-IWIPYMOSSA-N 442.467 5.404 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2Cl)C3=O)c1 1871389675 JRDFKSWNMVKMQJ-HAHDFKILSA-N 446.886 6.049 30 10 IKEE Cc1ccc(OCCOc2ccc3c(c2C)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1 1871405344 JXNRJUPQPNMYGG-HAHDFKILSA-N 431.444 5.286 30 10 IKEE Cc1c(OCCCOc2ccc(Cl)cc2)ccc2c1O/C(=C\c1ccccc1F)C2=O 1871406338 SAMSQEZNNXEERF-HAHDFKILSA-N 438.882 6.252 30 10 IKEE COc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4Cl)ccc3C2=O)cc1 1871409140 YCMOYTMECIPQRS-VRHSPDTKSA-N 449.890 5.371 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccc(C#N)cc4)ccc3C2=O)cc1 1871435836 DLWKDUKUZDOFNQ-YMKHCOABSA-N 438.483 5.143 30 10 IKEE COc1ccc(C)cc1NC(=O)CCOc1ccc2c(c1)O/C(=C\c1ccccc1C)C2=O 1871447298 YHQISUYGAHVBQB-MYYYXRDXSA-N 443.499 5.336 30 10 IKEE CCCCCCCCN=c1nc(N2CCCCCC2)[nH]c(=Nc2ccc(C)c(F)c2)[nH]1 1871579537 AZBKUFYOZLJFOB-UHFFFAOYSA-N 428.600 5.059 30 10 IKEE C=CCN([C@H](CCC)C(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)CCCC 1871845298 XHFDZIQNTDQMEL-HSZRJFAPSA-N 444.597 5.204 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1cccs1 1872513750 ZJKDKVQKDUJMCL-FQEVSTJZSA-N 434.627 5.129 30 10 IKEE CCCCCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 1872759318 KGJFWJQYSJOJRM-OAQYLSRUSA-N 449.532 6.167 30 10 IKEE CCOc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872762111 DJFWAKKJVCEMNG-OAHLLOKOSA-N 447.343 5.771 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@@H](C#N)C(=O)[C@H](C)Oc2ccc(C(C)C)cc2)n1 1872781869 ZCVQFMAVGYHXQI-AVRDEDQJSA-N 448.588 6.203 30 10 IKEE Cc1cc(C)c(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)cc3[N+](=O)[O-])n2)c(C)c1 1872785588 QMEGAZSHQUEGBT-INIZCTEOSA-N 425.897 5.787 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(CCCC)cc2)cc2c(N3C[C@@H](C)C[C@@H](C)C3)ncnc21 1873664977 BIJFLAUIQQSGEN-BGYRXZFFSA-N 445.611 5.695 30 10 IKEE C=CCSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccc(OCC)cc1 1874267587 FNMPIQYLSOXXJY-OEAKJJBVSA-N 428.945 5.070 30 10 IKEE Fc1ccc(CSc2nnc(CCc3ccccc3Cl)n2/N=C/c2ccc[nH]2)cc1 1874275268 VLCFKWYUWKBMCM-VULFUBBASA-N 439.947 5.358 30 10 IKEE Cc1ccccc1CSc1nnc(COc2c(C)cccc2C)n1/N=C/c1cccnc1 1874297655 NKDFQKRHXAAART-JFLMPSFJSA-N 443.576 5.352 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2Cl)cc1O 1874367299 VSGBNBAFMOWFNF-ZMOGYAJESA-N 436.924 5.184 30 10 IKEE Cc1ccc(CSc2nnc(Cc3cccs3)n2/N=C/c2ccccc2Cl)cc1 1874410576 ANNURZGACTXCLM-ZVHZXABRSA-N 439.009 6.067 30 10 IKEE Cn1cccc1/C=N/n1c(Cc2cccs2)nnc1SCc1cccc(Cl)c1 1874414113 CGHJWPCVFDZCCZ-LPYMAVHISA-N 427.986 5.097 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2ccc(C(=O)O)cc2)cc1 1874415192 DCSXJLBCDHWTRV-WGOQTCKBSA-N 442.544 5.050 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2ccccc2C)nnc1-c1cccs1 1874420727 AXUOSCGFFHSZLZ-PCLIKHOPSA-N 446.601 6.054 30 10 IKEE C=CCSc1nnc([C@H]2CCCO2)n1/N=C/c1ccc(OCCCCC)c(OCC)c1 1874448553 FZFNAICBOWXOEE-HQXXTQMQSA-N 444.601 5.258 30 10 IKEE COc1cccc(/C=N/n2c(CC(C)C)nnc2SCc2cc(C)ccc2C)c1OC 1874489770 JYLZXGKUBOSOIF-AFUMVMLFSA-N 438.597 5.285 30 10 IKEE CCOc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2cccc3ccccc23)cc1 1874491076 YKKBEEAPONKSBS-WPWMEQJKSA-N 444.604 6.203 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCCc3ccccc3)nnc2C2CCC2)cc1 1874496032 RUUJVPKOMHJPEH-LGUFXXKBSA-N 433.625 5.609 30 10 IKEE CCSc1nnc(C2CC2)n1/N=C/c1ccc(OCCCc2ccccc2)c(OC)c1 1874518991 VKVFCELOMMTPMJ-KOEQRZSOSA-N 436.581 5.170 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2c(OCc3ccc(C)cc3)ccc3ccccc23)cc1 1874574038 RMLKBSVIEIGJPE-FMQUCBEESA-N 434.579 7.966 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2c(OCCc3ccccc3)ccc3ccccc23)c1 1874581133 YFWTWUJDILZPEW-CCEZHUSRSA-N 438.523 6.375 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2cc(Br)ccc2OCc2ccccc2)cc1 1874583613 XARBKTHFOCJELG-WYMLVPIESA-N 435.361 7.048 30 10 IKEE CCc1ccccc1NC(=O)COc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC 1874596674 XTBYERQFDWXPAU-SDNWHVSQSA-N 443.543 5.788 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OCc1nc(O)c2ccccc2n1 1874608260 FFGSAJYTYHQCPX-ZRDIBKRKSA-N 446.890 5.473 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1ccc(F)cc1F 1874611649 PCSFADDWOGHWBA-YCRREMRBSA-N 429.806 6.002 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 1874616729 PLYDFBDNUBKZPE-MDWZMJQESA-N 429.516 5.534 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OCC(=O)Nc1ccccc1C 1874618784 SRJRBWSZKWDCJO-ACCUITESSA-N 429.516 5.534 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OCC(=O)NC2CCCCC2)c(Cl)c1 1874619731 POZKNIMYESBFEW-PKNBQFBNSA-N 441.955 5.381 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1cccc(F)c1 1874622532 IECDSYFTBHEYPQ-OQLLNIDSSA-N 432.535 6.997 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(OC)c1OCc1ccccc1F 1874625075 KSTHVDPMORAPLV-LFIBNONCSA-N 444.546 7.161 30 10 IKEE CCCCCCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N(C)Cc1ccccc1 1874647139 UOBRZADXMJMECV-AREMUKBSSA-N 447.623 5.604 30 10 IKEE Cc1cccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)c2)c1C 1874692403 FATGUEUDYKAPJR-OUKQBFOZSA-N 431.444 5.092 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2cccc(Cl)c2)cc1OC(=O)C1CCC1 1874699283 NKAYUGBXWWVPNQ-CMDGGOBGSA-N 449.728 5.713 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)[C@@H](Cc2ccccc2)c2ccccc2)c1)c1ccccc1 1874700514 XLRGYDRUELCMNB-PDRZGFNUSA-N 432.519 6.515 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OC(=O)C12CC3CC(CC(C3)C1)C2 1874701483 VCXAZLGPTHHWJL-VMPITWQZSA-N 444.571 6.330 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1OC(=O)c1ccc(C)c(C)c1 1874707839 ZCAICJCGLDNRML-WEVVVXLNSA-N 430.456 5.156 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2cccc(OC(=O)CCCOc3ccccc3)c2)c1C 1874710975 ODAXMNQZVOTLRR-FOCLMDBBSA-N 442.555 6.581 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)cc3)cc2OCC)c1 1875114954 FVHNTPGPGMKRKF-OQLLNIDSSA-N 446.499 5.608 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Cl)c(OC(=O)CC2CCCCC2)c(OC)c1 1875118174 OQSQUALRFGQIRI-OUKQBFOZSA-N 442.939 6.129 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc3cc(Cl)ccc3n2)cc1)c1cccc(Cl)c1 1875123329 GWKLBNFYWGHKSE-AWNIVKPZSA-N 448.305 6.657 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3cccc(Cl)c3)cc2)c(OC)c1 1875123662 XPYOVHFXNOCPCZ-MDWZMJQESA-N 436.891 5.401 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3)c([N+](=O)[O-])c2)c1 1875139592 PPFJRYJZBOVGHH-JLHYYAGUSA-N 429.472 5.646 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C)c(Cl)cc3OC)cc2)c1 1875179464 LHCQYRAWGSPLPZ-FMIVXFBMSA-N 436.891 5.781 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)[C@@H](C)c1ccccc1 1875184857 UZFSBZFMYDSYLG-KONDSOJQSA-N 428.528 6.226 30 10 IKEE C#CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Br 1885428698 OFCZRASRRLHRDL-UHFFFAOYSA-N 443.341 5.072 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@]12CCCC[C@@H]1CN(C(=O)OC(C)(C)C)C2 1906926982 OXSVAVYFMXVKAP-MVERNJQCSA-N 428.617 5.165 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCOC[C@H]1C(F)(F)F 1916556441 XIZXLPCINCRRAR-RHSMWYFYSA-N 449.267 5.052 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 1922087182 WTFKPCXXEXYXRM-VWLOTQADSA-N 436.596 5.751 30 10 IKEE CCCCCCCC[C@H](NCCC)c1sc(Br)cc1Br 1922914694 JDKKDCSRKBDCRT-AWEZNQCLSA-N 425.274 7.064 30 10 IKEE CCCCCCC[C@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 1947485705 UCAIPTVMTWXQPZ-RPWUZVMVSA-N 434.665 6.215 30 10 IKEE CC[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2014644660 JJYSOIRVODFTQO-MBSDFSHPSA-N 433.524 5.249 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@H](C#N)[C@@]1(C)CCCN1C(=O)OC(C)(C)C 2020805067 WYOZSKJKJABOHW-WZONZLPQSA-N 449.979 5.763 30 10 IKEE C=CCCCCCCCC[C@@H](N)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2026310498 QJTOBYNGZQABPZ-DNQXCXABSA-N 432.649 6.121 30 10 IKEE CCCCCCCCCCCC[C@H](N)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2034430813 KIDRKNXLYOGFKY-DQEYMECFSA-N 448.692 6.735 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)C12CCC2 2057184134 BQYVQJKIYQMBTK-VWLOTQADSA-N 441.572 5.562 30 10 IKEE C=CCCC[C@H](NCCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071266875 JNAUDEDWGCUNJX-MHZLTWQESA-N 429.604 7.242 30 10 IKEE Cc1ccc([C@H](n2nc(C3(C)CC3)c(C#N)c2I)C2(C)CC2)c(C)c1 2079050336 QSMBFYSXMZFRAI-SFHVURJKSA-N 445.348 5.417 30 10 IKEE Cc1cc(C)c([C@@H](n2nc(C(F)(F)F)c(C#N)c2Br)C(C)(C)C)c(C)c1 2079845600 TWOPWFRTQILGNT-MRXNPFEDSA-N 428.296 6.097 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Cl)cc(Br)c1 2081567555 CUTJFTUOPVSIIW-IAGOWNOFSA-N 431.802 5.613 30 10 IKEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Cl)c(Br)c1F 2097184795 VYAJPASPMDHWBF-PBHICJAKSA-N 447.776 5.199 30 10 IKEE CCn1cnc(Cl)c1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2118680850 OUPYQNRDFRAGDP-AWEZNQCLSA-N 439.741 5.325 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)C1CC2(C1)CC(F)(F)C2 2158847769 WFXRQEDWWPKRGI-INIZCTEOSA-N 441.316 5.908 30 10 IKEE CN(Cc1cc(Cl)cc(Br)c1)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2166769339 QQWBLIZZFBTGRZ-UHFFFAOYSA-N 436.586 5.038 30 10 IKEE C[C@H](c1cc(Br)cs1)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2186593978 FENUAPVIKFBAHB-CQSZACIVSA-N 436.224 5.003 30 10 IKEE C[C@H](Nc1ccc(C#N)cc1Br)c1ccc(CNC(=O)OC(C)(C)C)cc1 2187540223 DJAHFSSPOWYCAD-AWEZNQCLSA-N 430.346 5.519 30 10 IKEE C=CCCCCCC[C@@H](NC)[C@H](O)c1cc(Br)c(Br)s1 2206889950 DMWAIPIRDCTJAO-OCCSQVGLSA-N 425.230 5.421 30 10 IKEE C=C([C@H](NC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)C(C)(C)C 2229119129 AMPACWLJBSLAJP-ROUUACIJSA-N 425.411 5.075 30 10 IKEE CCc1ccc(C#CC(=O)c2cc(Br)cc(NC(=O)OC(C)(C)C)c2)cc1 2239610562 DTLCLCOPWBSZFX-UHFFFAOYSA-N 428.326 5.593 30 10 IKEE Cc1csc(C(=O)N(Cc2ccccc2)Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2241476474 SVLYENHSNDSJOZ-UHFFFAOYSA-N 447.409 5.198 30 10 IKEE CC[C@@H](C)N(Cc1ccccc1)C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1Cl 2247841350 VJJYHPRGIAIFMI-QGZVFWFLSA-N 427.781 5.080 30 10 IKEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N(Cc1ccccc1)[C@H](C)C(C)(C)C 2255600964 VLHMZCFEHAGWPU-GOSISDBHSA-N 441.446 5.433 30 10 IKEE CCC#C[C@H](OCCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2262719120 BCHFBRISQQVHQH-SANMLTNESA-N 429.560 5.665 30 10 IKEE C=CCCC1(C(=O)Nc2cc(C)c(Br)cc2C)CN(C(=O)OC(C)(C)C)C1 2281016464 GPUCAKNECJDXLP-UHFFFAOYSA-N 437.378 5.208 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1cc(Br)cc(C(C)(C)C)c1 2288654002 FYSJAYBKXNDVON-MOPGFXCFSA-N 439.438 5.867 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C 2296279534 PYYFJWIKPSSAIB-MOPGFXCFSA-N 437.422 5.108 30 10 IKEE CCCCCOc1ccc([C@@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2c2cc(C)on2)cc1 2296342643 MEOYOBMIGCKVMI-HSZRJFAPSA-N 446.503 5.178 30 10 IKEE Oc1ccccc1C=N[C@@H]1c2ccccc2O[C@@]2(N=Cc3ccccc3O)CCCC[C@H]12 2296680746 PPJFANUQDXSZTQ-XCRWMPKNSA-N 426.516 5.656 30 10 IKEE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)SC1=S 2296705111 QUSNHTFPYFAUBN-UHFFFAOYSA-N 447.585 5.244 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1OC 2296866171 ZYHNCCHPRCWFCV-UHFFFAOYSA-N 444.483 5.663 30 10 IKEE CCCCN=C1Sc2nc3cc(C)c(C)cc3cc2CN1Cc1ccc2c(c1)OCO2 2297506857 OCZBOARDNALPQX-UHFFFAOYSA-N 433.577 5.844 30 10 IKEE COc1c2c(cc3c1[C@H](CC(=O)C(C)=C[C@H]1C(C)=CCCC1(C)C)N(C)CC3)OCO2 2297731141 SSFGQCRZUFDDEM-PMACEKPBSA-N 425.569 5.241 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)c3ccccc3C)c(OC)c2)c1 2314429727 NIOGIXVMGYDIEP-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE O=C1C(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)Oc2ccc(Br)cc21 2314519436 OEBGITAMFGGGNI-UHFFFAOYSA-N 436.088 6.632 30 10 IKEE O=C1C(=Cc2ccccc2Cl)SC(=Nc2ccncc2Cl)N1c1ccccc1 2314542636 NLUDXGBSDCJRMY-UHFFFAOYSA-N 426.328 6.197 30 10 IKEE CCN1C(=O)C(=C(C)c2ccc(C)c(C)c2)SC1=Nc1nc(-c2ccccc2)cs1 2314544030 RNIKORPMDKISIE-UHFFFAOYSA-N 433.602 6.441 30 10 IKEE C=CCc1ccccc1OCCCCn1c(C=Cc2ccc(OC)cc2)nc2ccccc21 2314899190 VDMXLPSOZCPSIF-UHFFFAOYSA-N 438.571 6.803 30 10 IKEE C=CCCCCC[S@@](=N)(=O)c1cc(I)ccc1Br 2316471665 CPSSUUPVJXRJBR-GOSISDBHSA-N 442.160 5.206 30 10 IKEE COc1cccc(C=Nn2c(CCCOc3cc(C)c(Cl)c(C)c3)nnc2SC)c1 2321386589 RFUFJOMDXDXGOV-UHFFFAOYSA-N 444.988 5.173 30 10 IKEE COCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(Cl)c(Cl)c1)C3=O 2322016593 HNIGKHLJPBNAHY-UHFFFAOYSA-N 434.319 5.106 30 10 IKEE COc1cccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2cccc(Cl)c2)C4)c1 2322214258 FSQHGUZYGBVYOE-UHFFFAOYSA-N 447.918 5.625 30 10 IKEE CCCCCCN1COc2c(cc3c(c2C)OC(=Cc2ccc(OC)c(OC)c2)C3=O)C1 2322362672 LFYDVJBKFBFZJP-UHFFFAOYSA-N 437.536 5.361 30 10 IKEE O=C(COc1ccccc1C=CC(=O)c1cccc(Br)c1)NC1CCCCC1 2322457443 PUBVDGJPMAKJNP-UHFFFAOYSA-N 442.353 5.173 30 10 IKEE O=C(C=Cc1cc(Br)ccc1OCc1cccc(F)c1)c1ccc(F)cc1F 2322487726 BGAUPRQQCZAZHT-UHFFFAOYSA-N 447.250 6.342 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc(Br)cc4)c3C)C2=O)o1 2322708526 GTPFZRMDXMKEHS-UHFFFAOYSA-N 439.261 5.494 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4cc5cc(Cl)ccc5o4)ccc3C2=O)cc1 2322845593 VOPBQDJVKZRNHQ-UHFFFAOYSA-N 430.843 6.230 30 10 IKEE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)cc1 2323057465 ZRUSCYZCGXBXCV-UHFFFAOYSA-N 425.484 5.296 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2OC)cc1OCc1cccc2ccccc12 2323176544 JZXQMBBHOLNPDR-UHFFFAOYSA-N 438.523 6.641 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1OCC(=O)NC1CCCCC1 2323259124 JLSKIGKAYKJPAQ-UHFFFAOYSA-N 449.591 5.653 30 10 IKEE Cc1cc(OC(=O)c2cccc([N+](=O)[O-])c2)cc2c1C(=O)C(=CC=Cc1ccccc1)O2 2323310792 SJVOENMOZVEMTO-UHFFFAOYSA-N 427.412 5.295 30 10 IKEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1cccc(F)c1 2323363985 WTXLRRBYSAXDCY-UHFFFAOYSA-N 441.842 5.871 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(CC)cc2)C3=O)cc1 2323374501 ALWQBISXQHPISO-UHFFFAOYSA-N 442.511 5.720 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(OC)c1OCc1cccc(C)c1 2323409958 PPMXFDOAHBVWDQ-UHFFFAOYSA-N 448.562 7.360 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cc(C)ccc3C)c(OC)c2)cc1 2323485665 PAYVVORJOBKDEB-UHFFFAOYSA-N 443.543 5.788 30 10 IKEE Cc1c(OCCCc2ccccc2)ccc2c1OC(=Cc1ccccc1Br)C2=O 2324280898 SUDULUXVDOPWET-UHFFFAOYSA-N 449.344 6.385 30 10 IKEE C=CCOc1c(OCC)cc(C=CC(=O)c2ccc(OCC)cc2OCC)cc1[N+](=O)[O-] 2324494661 RTCBRLOTQPNJLY-UHFFFAOYSA-N 441.480 5.252 30 10 IKEE COc1ccc(C=C(C(=O)[C@H](C#N)c2nc(C(C)(C)C)cs2)c2ccccc2)cc1OC 2324515609 DGQOVSXCINJTDG-FQEVSTJZSA-N 446.572 5.875 30 10 IKEE COc1cccc(C(=O)C=Cc2cccc(OC(=O)CC34CC5CC(CC(C5)C3)C4)c2)c1 2325707738 CRTLNKPYKHJQHB-UHFFFAOYSA-N 430.544 6.103 30 10 IKEE CCc1ccc(C(=O)Oc2cccc(C=CC(=O)c3cccc(Br)c3)c2)cc1 2325720922 BOCDXYQCIIHNIG-UHFFFAOYSA-N 435.317 6.127 30 10 IKEE COc1ccccc1OCC(=O)Oc1cccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)c1 2325746433 SGWRNTXEKFBIOP-UHFFFAOYSA-N 444.527 5.873 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc1OC(=O)CC(C)(C)C 2325763727 BSVFQWPZPPNVHB-UHFFFAOYSA-N 430.928 5.903 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1OC(=O)c1ccc(C)cc1 2325765001 CBCFNYHIGFNTJD-UHFFFAOYSA-N 442.555 6.725 30 10 IKEE CCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1N=Cc1ccccc1F 2325817470 FNCBSALZUDJDFK-UHFFFAOYSA-N 442.560 5.297 30 10 IKEE CCCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1ccccc1C 2325905777 JELBCZGDRXYUQX-UHFFFAOYSA-N 436.625 6.156 30 10 IKEE C=CCSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1ccc(O)cc1 2325913757 RXNDGDXJNZBPNH-UHFFFAOYSA-N 435.336 5.030 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccc(F)cc1F 2326017329 KVBPZSHZDKGYLB-UHFFFAOYSA-N 448.926 5.382 30 10 IKEE Cc1ccc(CSc2nnc(C)n2N=Cc2ccccc2COc2ccccc2)cc1 2326289732 JTAAAJTWHKYMQM-UHFFFAOYSA-N 428.561 5.648 30 10 IKEE CCCCCOc1ccc(C=Nn2cnnc2SCc2ccc(C(C)(C)C)cc2)cc1 2326315560 YUZXOCGOMAIUKM-UHFFFAOYSA-N 436.625 6.319 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(OC)c(OCC)c1 2326470634 SPOWPHPAKOBWMD-UHFFFAOYSA-N 444.988 5.466 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1c(O)ccc2ccccc12 2326473489 AINZRPGYUWIABD-UHFFFAOYSA-N 436.968 5.917 30 10 IKEE CCCOc1cccc(C=Nn2c(C)nnc2SCc2ccc(Br)cc2)c1 2326608187 WUFUVPREWDGMAJ-UHFFFAOYSA-N 445.386 5.312 30 10 IKEE CCCSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1ccc(OCC)cc1 2327210797 ANDDGRHMRNYPOF-UHFFFAOYSA-N 438.597 5.381 30 10 IKEE Cc1ccc(C)c(OCc2nnc(SCc3ccccc3)n2N=Cc2cccs2)c1C 2327272792 SBBOFXQACARUNM-UHFFFAOYSA-N 448.617 6.018 30 10 IKEE Fc1ccccc1CSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccco1 2328056632 HKMLQEQYBNIRNY-UHFFFAOYSA-N 440.931 5.623 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2)n1N=Cc1cccc2ccccc12 2328754201 IOXDKWSXZBVMPK-UHFFFAOYSA-N 428.561 5.603 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccc[nH]2)c(C)c1 2328880109 IYPBVJGVKGPSFW-UHFFFAOYSA-N 435.528 5.116 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)C[C@@H]2C[C@H]1CC2(F)F 2329112429 INPNRIQRCAYSLS-ZJNRKIDTSA-N 427.289 5.518 30 10 IKEE C=CCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc(OCCCC)cc1 2329114579 OPQGLNKJTLEFNW-UHFFFAOYSA-N 441.000 5.862 30 10 IKEE Clc1ccc(CSc2nnc(CCOc3ccccc3)n2N=Cc2ccc[nH]2)cc1 2329210001 UIIUWHDUONVVIN-UHFFFAOYSA-N 437.956 5.056 30 10 IKEE Cc1cccc(C=Nn2c(SCCc3ccccc3)nnc2-c2ccccc2Cl)c1 2329587677 DYWWFQXXPSBYKJ-UHFFFAOYSA-N 432.980 6.124 30 10 IKEE Cc1ccc(Cc2nnc(SCc3c(F)cccc3Cl)n2N=Cc2ccc[nH]2)cc1 2330045496 MXQWZFZHGRJZMY-UHFFFAOYSA-N 439.947 5.472 30 10 IKEE O=[N+]([O-])c1ccc(C=Nn2c(SCc3ccccc3F)nnc2-c2ccccc2)cc1 2330671468 VKDTWUVHMKTKIP-UHFFFAOYSA-N 433.468 5.167 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1cc(C)cc(C)c1 2330676127 SCTKKQHTOYHUKB-UHFFFAOYSA-N 436.507 6.581 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3c(C)cccc3C)cc2)cc1 2330740711 JLCCUOUDUBITLJ-UHFFFAOYSA-N 442.555 6.527 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2Cl)cc(OC)c1OC(=O)c1cccnc1 2330946969 HDUJDIGZDCRQJS-UHFFFAOYSA-N 433.891 5.587 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC(=O)CC(C)C 2331031720 VBESJQZLSFEKTN-UHFFFAOYSA-N 431.872 5.495 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)Cc1cc(C)ccc1C 2331255934 IJFIORIFJPDAFS-UHFFFAOYSA-N 448.946 6.318 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)c(C)c3)c([N+](=O)[O-])c2)c1 2331322702 GFAXODLNKUPPRD-UHFFFAOYSA-N 429.472 5.944 30 10 IKEE Cn1cc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C(C)(C)C)c2ccccc21 2331410812 HMIKZWUZNVAXEO-UHFFFAOYSA-N 438.000 5.895 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)cc3)c(Cl)c2)cc1F 2331453775 IIKRQWINHIJDRY-UHFFFAOYSA-N 442.845 5.671 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3)c(OC)c2)cc1F 2331467619 LNNVAPLQHIORNF-UHFFFAOYSA-N 434.463 5.277 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1cccs1 2331471234 YYYBEDXTXNHWRQ-UHFFFAOYSA-N 425.410 6.019 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)C3CCC3)c(Br)c2)c(OC)c1 2331723889 KUTGOCRJBPCJKM-UHFFFAOYSA-N 445.309 5.068 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C)c(OC)cc3C)cc2OC)c1 2331854609 ASZSQMNGZAXQHZ-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE CCN[C@@H](C#CC(C)(C)OC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2338408427 KZOFISYCZKAPLE-SANMLTNESA-N 443.587 5.924 30 10 IKEE CCCCCCCCNC(=O)c1ccc(NC(=O)c2ccccc2Br)cc1 3049971 HBDBVCQUXNQZNG-UHFFFAOYSA-N 431.374 5.792 30 10 IKEE COc1cc(C(=O)Oc2ccccc2/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC 34954339 YKONZOGJENKDFZ-BUHFOSPRSA-N 432.472 5.136 30 10 IKEE Cc1csc(/N=C2/S/C(=C\c3cn(C)c4ccccc34)C(=O)N2c2ccccc2)n1 39865494 SXLNPFHFKLQMLR-ROIOHNFESA-N 430.558 5.752 30 10 IKEE C=CCc1ccccc1OCCn1c(CCCNC(=O)C(CC)CC)nc2ccccc21 40204317 TYEYYKXHEOPKNL-UHFFFAOYSA-N 433.596 5.329 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2sccc2C)C3=O)c1 41292858 YRLQHQKYIIMGTE-NDENLUEZSA-N 436.485 5.218 30 10 IKEE C/C(=N\Nc1nc(S[C@@H](C)c2nnc(C(C)C)o2)n[nH]1)C12CC3CC(CC(C3)C1)C2 59879830 AFCGBIAOQTUFAF-UKTUINEPSA-N 429.594 5.169 30 10 IKEE Cc1ccc(C(=O)O/N=C2/C[C@@]3(C(=O)Nc4cc(C)ccc4C)CC[C@@]2(C)C3(C)C)cc1 100963765 LKMOHWURIQZLGD-QXOXRTFWSA-N 432.564 5.980 30 10 IKEE CC(C)(C)c1ccc([C@H]2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2c2nccs2)cc1 108198568 BDMQWHROPODKCK-HQMFNGAOSA-N 436.508 5.206 30 10 IKEE CCOc1ccc(/N=C2/S/C(=C3\Sc4ccc(OC)cc4N3C)C(=O)N2CC)cc1 109016937 BEYKCGNJBYZSGH-ZCGWOIPMSA-N 441.578 5.088 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/Nc2nnc(C(C)(C)C)c(=O)[nH]2)cc1Cl 169898103 AXPICBOOTYXUQA-PCLIKHOPSA-N 448.011 5.691 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2cccc(OC)c2)cc1 169931610 QSZXAMLHWUFZAL-AREMUKBSSA-N 441.527 5.360 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@H]2c2cccnc2)s1 170003781 RVSUDRPJRFHZBJ-FQEVSTJZSA-N 447.560 5.235 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)s1 170058011 NNIKCNUOAAIFFW-GOSISDBHSA-N 442.899 5.335 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2cccc(O)c2)c(C)c1 170081345 IOOCUMQWYLURKF-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(C)o2)cc1 170102175 LQGBSVVGDQINKG-OAQYLSRUSA-N 437.879 5.029 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCCC2)cc1 170114739 HUUPTOSIHODDBM-OAQYLSRUSA-N 425.912 5.260 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCCC)c2)[C@H]1c1ccc(OC)cc1 170116555 OPKGABCIJWDTDT-HSZRJFAPSA-N 437.536 5.253 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(O)cc1)c1ccc2c(c1)CCCC2 170132691 NYOREYSKWJLHKO-XMMPIXPASA-N 425.484 5.054 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1cccs1)c1ccc2ccccc2c1 170163590 RWYINZOSKXOIEA-JOCHJYFZSA-N 426.497 5.075 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2cccnc2)c1 170188404 IHDBWZJIFYOUEW-QFIPXVFZSA-N 448.906 5.307 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1cccc(OCC(C)C)c1 170218928 GWRDZWMEDQENRU-HSZRJFAPSA-N 437.536 5.027 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC)c2)[C@H]1c1cccc(OCC(C)C)c1 170218946 ZYVGZDIVSIMRBT-HSZRJFAPSA-N 437.536 5.108 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccccc2)cc1OC 170225788 DAKMYRJGTDAFGC-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(C(C)C)cc1 170246378 CSRKMGWCFTYDSV-QHCPKHFHSA-N 437.511 5.479 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2C)ccc1OC(C)C 170278516 YHCBDYVOKONJCW-XMMPIXPASA-N 433.548 5.612 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccco2)cc1C(C)C 170289732 OVONIVKFHGQUGL-QHCPKHFHSA-N 442.471 5.066 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1Cc1ccco1 170316383 QNNXVMMIAFRCFD-OAQYLSRUSA-N 429.497 5.581 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(C(C)(C)C)cc2)cc1 170326442 XCQPRAVXGZBTEA-HSZRJFAPSA-N 442.515 5.171 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)c1 170332229 DEEKIRULJHEMOY-FQEVSTJZSA-N 439.920 5.501 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cccc(C)c2)cc1 170341845 WLNLXIRVRAPEAH-QHCPKHFHSA-N 446.572 5.686 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 170379332 CNEVRJINXWQMPX-DEOSSOPVSA-N 442.515 5.387 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2cn(C)c3ccccc23)cc1 170394865 QNQAPZSTWRSYSG-QHCPKHFHSA-N 426.472 5.117 30 10 IKEE CC(=O)Oc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)cc(C)c2)c1 170407787 LFDRXXXRAQEQEU-QFIPXVFZSA-N 447.512 5.073 30 10 IKEE CCN1/C(=C/C=C2/CC/C(=C3\Sc4ccccc4N3CC)C2=O)Sc2ccccc21 208549470 IKXDZJWYHLIPJC-DBJVDMGCSA-N 432.614 6.593 30 10 IKEE N#Cc1ccc(OCC(=O)c2cc(Br)sc2Br)cc1Cl 226071477 LXTPOCJRPZQJJP-UHFFFAOYSA-N 435.524 5.060 30 10 IKEE CC(C)c1ccc(NC(=O)CSCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 244385801 YDUSZLRKDGIKEZ-OAHLLOKOSA-N 441.622 5.178 30 10 IKEE COc1ccc2ccccc2c1/C=C1/SC(=Nc2ccccc2)N(C2CCCCC2)C1=O 252627389 RTFKJFICWLAVQA-OFGWUVNBSA-N 442.584 6.785 30 10 IKEE CCCCCCCCCCCCS(=O)(=O)NN=C1N(CC)c2ccccc2C1(C)C 263628777 DOHUPDBBIHLCMC-UHFFFAOYSA-N 435.678 5.958 30 10 IKEE CCCCCCCCOC[C@H](O)CNCCCN(Cc1ccccc1)Cc1ccccc1 390701314 LYXYVGIGTIYAGO-MUUNZHRXSA-N 440.672 5.407 30 10 IKEE COc1ccc(N(/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C(N)=S)cc1 514252140 NGLSHJVFYVMEHL-AFUMVMLFSA-N 425.941 5.012 30 10 IKEE CCOc1ccc(/C=N\n2c(C)nnc2SCc2cccc(C)c2)cc1Br 526807908 JPVNDTCMKJBWCU-UUYOSTAYSA-N 445.386 5.231 30 10 IKEE Clc1ccc(CSc2nncn2/N=C\c2ccc(Cl)c(Cl)c2)c(Cl)c1 526823137 FWRVWHSTGZDVBE-HOEBFWFUSA-N 432.163 6.066 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1ccc(Cl)c(F)c1 698489086 NXNOGOSXBQDLHI-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE CCCCCCCCCCOc1ccc(C=Nc2ccc(/C=C/C(=O)OCC)cc2)cc1 1081820501 LUFOQBNRKIKXAQ-MHFHKINYSA-N 435.608 7.533 30 10 IKEE Cc1ccc(N=Cc2c(Br)c(C)n(-c3ccc(Br)cc3)c2C)cc1 1084091300 MIOWGRKNTZQLJO-UHFFFAOYSA-N 446.186 6.678 30 10 IKEE C=CCOC(=O)/C=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1 1084514036 YMFVCJVGQRNAHV-YVMONPNESA-N 442.136 6.077 30 10 IKEE Cc1ccc(/N=C2/S[CH][C@@H](c3ccc(Cl)cc3)N2CCCN2CCOCC2)cc1 1614596160 VERIMZDMWFFNAZ-LFIUJEBDSA-N 429.009 5.310 30 10 IKEE C#C[C@H](NC(=O)CNc1nc(C)nc2sc(-c3ccccc3)cc12)c1ccc(Cl)cc1 1642103008 JUMIVCSZTHLMLZ-FQEVSTJZSA-N 446.963 5.223 30 10 IKEE O=C1NC(=NN=Cc2cccc3ccccc23)S[C@H]1Cc1cccc(Cl)c1Cl 1772724718 AKRKFEOIXWEVRL-SFHVURJKSA-N 428.344 5.311 30 10 IKEE Cc1cc(C)cc(-n2c(C)cc3c2CC(C)(C)CC3=NOC(=O)/C=C\c2ccccc2)c1 1772728707 VGNZPHMXMYCONI-YJDLIQRASA-N 426.560 6.336 30 10 IKEE O=C1/C(=C/c2ccccc2[N+](=O)[O-])SC(=Nc2cccnc2Cl)N1c1ccccc1 1772732553 FVZDPDALHGTSPR-SDWZUDADSA-N 436.880 5.452 30 10 IKEE CN1C(=O)/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)SC1=Nc1nccs1 1772736679 MEHVZCFHXCZUEC-WEHZRUJJSA-N 441.965 5.609 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=Nc1nccs1 1772738718 VVPRKYONQGZFRD-TWGBNTOESA-N 436.345 5.944 30 10 IKEE CC(C)(C)c1ccc(/C=C2/SC(=NN=Cc3cccs3)N(Cc3ccco3)C2=O)cc1 1772758073 OMLNVWQJWLTZNF-VWAPCYNNSA-N 449.601 6.145 30 10 IKEE O=C1/C(=C\c2ccc(F)cc2)SC(=NN=C/C=C\c2ccccc2)N1Cc1ccco1 1772759003 IZTCHOWDWBLWMD-OJFRYADJSA-N 431.492 5.590 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=Nc1ccc(C(=O)O)cc1 1772762630 LNCHSBFATSQWQB-ZZYMSUEGSA-N 433.316 5.482 30 10 IKEE COc1ccc(-c2csc(-c3ccc(NS(=O)(=O)c4ccccc4C#N)cc3)n2)cc1 1858009378 RSTICPMVMUMHFB-UHFFFAOYSA-N 447.541 5.158 30 10 IKEE Cc1ccc(Cn2nc(C(=O)Nc3ccc(C#N)cc3)cc2-c2ccc(Cl)cc2)cc1 1859386736 BLNFICICYWRQCR-UHFFFAOYSA-N 426.907 5.684 30 10 IKEE N#Cc1ccccc1NC(=O)c1cc(-c2cc(Cl)ccc2Cl)n(-c2ccccc2)n1 1859389285 PUEICPFBAILFTF-UHFFFAOYSA-N 433.298 5.970 30 10 IKEE COc1cccc(/C=C/C(=O)C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1 1860725048 RJINQHUDKDIIJA-NTUHNPAUSA-N 428.513 5.501 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)c1c(Cl)ccc(Cl)c1Cl 1861145940 YFTFNFQIYTWCCI-QGZVFWFLSA-N 449.850 6.412 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1OC 1861350651 OHXSSTIYEUKPDI-DEOSSOPVSA-N 438.612 5.293 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)C(C)(C)Oc1ccc(Cl)cc1 1861463003 OWTKTTNQSKRHAF-OAQYLSRUSA-N 439.040 5.649 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCSC)NC(=O)/C=C/c1ccccc1Cl 1861562721 KOHPFWNFMCUXLN-AIGDTVQASA-N 425.038 5.068 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1Cl 1862383287 SSSKDAKELQKWOV-LJQANCHMSA-N 446.261 5.504 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1862399443 GMPMSJNDIPVPJU-HXUWFJFHSA-N 442.899 5.189 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCCc2ccccc2)[C@H]1c1ccccc1)c1ccc(F)cc1F 1862412540 HLZNBBIFSFXAHZ-DEOSSOPVSA-N 447.481 5.566 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc(F)c1 1862431901 QZYYAGVWWXXSKJ-QFIPXVFZSA-N 443.946 6.418 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1C 1862441590 ALQHDADUXSPZBA-REWPJTCUSA-N 439.983 6.586 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)cc1 1862445508 XJOVCRYPRCTZOQ-FQQGMQMYSA-N 437.967 6.059 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2cc(Cl)cc(Cl)c2)cc1 1862538427 MSVRJUVXWYVJQV-HXUWFJFHSA-N 432.347 5.790 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862538540 JFGVAUHNZIVJKD-NRFANRHFSA-N 446.374 6.324 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C2CCCCCC2)cc1 1862543687 MQXIVDZNIVSOQA-SANMLTNESA-N 443.587 6.175 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1cccc(O)c1)c1ccc2c(c1)CCCC2 1862544598 HENXVJBTFXVESN-RUZDIDTESA-N 445.559 5.572 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCC(C)C)c1 1862548493 STKCAJIEKZRQBT-XMMPIXPASA-N 433.548 5.198 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1cccc(Cl)c1 1862591873 QAEAPSWFIKENGC-UGKGYDQZSA-N 441.955 5.983 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862594577 GORDGFPJETZASB-BVZFJXPGSA-N 441.527 5.855 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2C)cc1 1862674890 WYPPGIGEWFXBAN-AVRWGWEMSA-N 443.518 6.036 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc(OCc2ccccc2)c1 1862685438 WSENQGLFJSSQQH-DEOSSOPVSA-N 445.490 5.391 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc(O)cc1)c1ccc2ccccc2c1 1862713459 PERYUIKCXRROKG-VWLOTQADSA-N 435.479 5.324 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2C2CC2)cc1 1862726752 NYNNECHYKASDEQ-AREMUKBSSA-N 437.539 6.218 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862759998 CYUUAPASEJKCEV-ZMZPIMSZSA-N 449.290 5.278 30 10 IKEE Cc1cccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)c1C 1862798243 DXEIVKNQEHQMFY-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc3ccccc3c2)=C(c2ccccc2F)C1=O 1863294539 SPKUBSGVVAEBJK-UHFFFAOYSA-N 444.550 6.531 30 10 IKEE Cc1cc(C2=C(Nc3ccccc3C#N)C(=O)N(C3CCCCCCC3)C2=O)ccc1F 1863469768 XVXLOMPXIVESKH-UHFFFAOYSA-N 431.511 5.311 30 10 IKEE CCC[C@@H](NC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866989870 FWSASRBXWRTXSK-NHCUHLMSSA-N 446.378 5.528 30 10 IKEE CCCCCCCCn1cc(C(=O)N[C@H](CC)c2ccc3c(c2)CCCC3)c(O)cc1=O 1870117954 FUOHZXAPIBLWJS-XMMPIXPASA-N 438.612 5.674 30 10 IKEE CCCCCCCOc1cn(CCCOCC)c(CN2CCc3ccccc3C2)cc1=O 1870409021 ICKDWUCSKKZKBV-UHFFFAOYSA-N 440.628 5.182 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2c(C)noc2C)cn1CCCCCCCC 1870565360 GDUFMIBDLBIGAK-UHFFFAOYSA-N 441.616 5.567 30 10 IKEE CCCCCCCOc1cn(CCC(C)C)c(CNc2ccc(OCC)cc2)cc1=O 1870833849 WQLAUMUGQROZNO-UHFFFAOYSA-N 428.617 6.254 30 10 IKEE C=CCn1cc(OCc2ccc(C(C)C)cc2)c(=O)cc1CNc1cccc(NC(C)=O)c1 1870897695 NONJGMMKEMKGBP-UHFFFAOYSA-N 445.563 5.307 30 10 IKEE CCCCC[C@H](CC)N1COc2ccc3c(c2C1)O/C(=C\c1cn(C)c2ccccc12)C3=O 1871347788 VWDBDGZGQDPZBC-YIRYVTQCSA-N 444.575 6.305 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1cccc(Cl)c1)C3=O)CN(Cc1ccccc1F)CO2 1871352403 HBESIYPRNALQOS-YVNNLAQVSA-N 435.882 5.756 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)cc(C)c3C2=O)cc1 1871383799 SZWWMJIQPWPVMJ-QFEZKATASA-N 442.511 6.174 30 10 IKEE CCc1ccc(/C=C2\Oc3c(CN4CCOc5ccccc54)c(O)cc(C)c3C2=O)cc1 1871396003 HNCCQBSZOBREIE-IWIPYMOSSA-N 427.500 5.278 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O)Nc1ccccc1 1871460147 XVPCMULWHUUIQX-MTJSOVHGSA-N 440.282 5.627 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4cc(C)ccc4C)cc(C)c3C2=O)c1 1871460619 WFNMRLYPTCPTPY-CFRMEGHHSA-N 427.500 5.554 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C(C)C)cc1)C(C)C)S(=O)(=O)c1ccccc1 1871830560 WQYUWBJDTXGIPF-HSZRJFAPSA-N 428.598 5.040 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccccc1)c1ccccc1)S(=O)(=O)c1c(C)cc(C)cc1C 1872138045 LKBDAJIMZZRRLH-XMMPIXPASA-N 448.588 5.169 30 10 IKEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(Nc2ccccc2)cc1)S(=O)(=O)CCCC 1872151381 KJRTYFULFDMFCG-HSZRJFAPSA-N 443.613 5.155 30 10 IKEE C=CCN([C@@H](CCC)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccc(C)cc1 1872444627 KDYIBBMHWLAUFC-QHCPKHFHSA-N 428.598 5.103 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@@H](C#N)C(=O)c2ccc3nc(C)c(C)nc3c2)n1 1872781891 ZTRWEWJKBVAHPU-IBGZPJMESA-N 442.544 5.486 30 10 IKEE CCCCCCCCNC(=O)c1ccc(CN2CCN(c3ccc(OC)cc3)CC2)cc1 1872884283 OSLMQPJAYMVNIU-UHFFFAOYSA-N 437.628 5.108 30 10 IKEE C=CCN1C(=O)C(NCCCCCCCCCC)=C(c2c(Cl)cccc2Cl)C1=O 1873094242 RFOSUNMYTGBNEE-UHFFFAOYSA-N 437.411 5.990 30 10 IKEE Cc1ccccc1COc1ccccc1/C=N/Nc1oc([C@@H]2C[C@H]2c2ccccc2)nc1C#N 1873470266 DOGRESZFIWZVFC-ACTWMIIHSA-N 448.526 6.151 30 10 IKEE CCCc1nnc(SCc2ccccc2)n1/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 1873500928 GXCSHSCDCXCCOS-MFKUBSTISA-N 446.532 5.363 30 10 IKEE CCCCCCCCNC(=O)c1cc2c(N(C)CCCC)ncnc2n1Cc1ccccc1 1873583875 HQTLWFQQURUYFU-UHFFFAOYSA-N 449.643 5.806 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C(C)C)cc2)cc2c(NCCCOC(C)C)ncnc21 1873628818 UPABSOHQYQGYGA-UHFFFAOYSA-N 435.572 5.220 30 10 IKEE C=CCn1c(C(=O)Nc2ccccc2C(C)C)cc2c(NCc3ccc(C)cc3)ncnc21 1873641986 XAMXPGKMVBEHBT-UHFFFAOYSA-N 439.563 5.914 30 10 IKEE CCCCCCCCCCNC(=O)c1cn(Cc2ccc(OC)cc2)c(=O)c2ccccc12 1873936903 RRDSFWANYXIHCF-UHFFFAOYSA-N 448.607 5.929 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCC(=C)C)n1/N=C/c1ccccc1C 1874226737 ABSZEYKKEZYWCL-MFKUBSTISA-N 434.565 5.281 30 10 IKEE Oc1ccccc1/C=N/n1c(CCc2ccccc2)nnc1SCc1ccccc1F 1874402647 GVJWCFZNGVVPSD-WGOQTCKBSA-N 432.524 5.083 30 10 IKEE Cc1ccccc1CSc1nnc(CC2CCCCC2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874406049 CQTFUFZTOIXOPP-PCLIKHOPSA-N 449.580 5.792 30 10 IKEE Oc1ccc(Cl)cc1/C=N/n1c(Cc2ccccc2)nnc1SCCc1ccccc1 1874418401 NKSDQCWVVSXICS-YZSQISJMSA-N 448.979 5.445 30 10 IKEE C=CCSc1nnc(CC(C)(C)C)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874439631 LGSULTREDRKRNN-KOEQRZSOSA-N 434.565 5.246 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(SCc2cccc(F)c2)nnc1[C@H]1CCCO1 1874447488 DAPSFYNFRCXQIY-PFRKPPGBSA-N 440.544 5.230 30 10 IKEE Oc1ccccc1/C=N/n1c(SCc2c(F)cccc2Cl)nnc1C1CCCC1 1874458160 ZIJWDPVYAOMSAR-WYMPLXKRSA-N 430.936 5.608 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2ccccc2F)nnc1C(C)(C)C 1874484476 YEBICNUYGWFOBL-MFKUBSTISA-N 426.561 5.678 30 10 IKEE CCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874527789 FRZPXRJYYRLHMB-LSHDLFTRSA-N 425.772 5.975 30 10 IKEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccc(C(C)(C)C)cc1 1874533500 LWZZDTVVVNUMFU-WYMPLXKRSA-N 433.408 6.365 30 10 IKEE Cc1ccccc1COc1ccc(/C=N/n2c(S)nnc2Cc2ccc(Cl)cc2)cc1 1874564966 ZMWAYWBZKFVQDI-CVKSISIWSA-N 448.979 5.581 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1)c1ccc2ccccc2c1 1874571506 QZWMNEXBVKSUCR-UKTHLTGXSA-N 433.334 7.622 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(C)ccc2C)c1OCC(=O)Nc1cccc(C)c1C 1874580531 SDWSJITWWSCODD-CCEZHUSRSA-N 443.543 5.842 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1Cl 1874590877 WWLKCAJZXMMUSP-JXMROGBWSA-N 447.745 7.131 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)c1OCCCO 1874591940 JPLVYCXNCPHNJZ-CSKARUKUSA-N 426.896 5.168 30 10 IKEE COC(=O)c1ccc(COc2cccc(/C=C/C(=O)c3ccc(Br)cc3)c2)o1 1874593360 FYKYWRYHKVBHPK-VZUCSPMQSA-N 441.277 5.304 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OCc3ccccc3C)c2)cc1OCCC 1874594734 ZRLWRRCCBRURPN-FYWRMAATSA-N 444.571 7.048 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)ccc1OCCc1ccccc1 1874604265 CTUNQUMHQHOMJY-JLHYYAGUSA-N 432.516 5.620 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)ccc1OCC(=O)NC1CCCCC1 1874604927 LVXXVAFVPOUGRZ-FOWTUZBSSA-N 435.564 5.372 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1Cl 1874613082 BIRFRWOKOCWURD-VZUCSPMQSA-N 434.363 5.917 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3cccc(Cl)c3)cc2OC)cc1 1874613164 GHTWSUSWORSFFR-UKTHLTGXSA-N 449.934 5.825 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 1874614449 QLGIEAHEFCWECF-WLRTZDKTSA-N 427.327 6.867 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OCCc3ccccc3)c(Br)c2)ccc1F 1874618466 CECPZBRDZZINLL-YRNVUSSQSA-N 439.324 6.414 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OCC(=O)Nc1cc(C)ccc1C 1874618922 ZVGXXAOZUOHQMK-ZRDIBKRKSA-N 443.543 5.842 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)ccc1OCC(=O)OCC(C)C 1874634347 XLDJOOQZTQYJRN-SOFGYWHQSA-N 446.927 5.140 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(F)c(F)c3F)c2)cc1 1874695723 PJDHZOOMPPIZPI-XNTDXEJSSA-N 438.445 6.562 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)[C@H]2C[C@H]2c2ccccc2Cl)c1)c1ccc2c(c1)OCO2 1874707543 KGMPLUPAWYBYGV-FCXBDULKSA-N 446.886 5.674 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cccc(Cl)c3)c2)cc1Cl 1874716802 KHRUSMNMDYNEPP-CSKARUKUSA-N 427.283 6.117 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(CC)cc3)c([N+](=O)[O-])c2)cc1 1875101728 ZBBAUUFRJGLYND-OQLLNIDSSA-N 429.472 5.835 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)Cc1ccccc1F 1875116255 RXGNMADEEPXVTQ-NTUHNPAUSA-N 449.434 5.177 30 10 IKEE O=C(Cc1ccccc1F)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1[N+](=O)[O-] 1875121073 YEFRYKBLCNVKRE-WEVVVXLNSA-N 441.361 5.056 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)Cc1ccccc1 1875134157 RSTFMPDKYXIANQ-FYWRMAATSA-N 440.539 6.085 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)Cc1ccccc1Cl 1875156971 MHBMNVGMNADZBK-RIYZIHGNSA-N 448.946 6.516 30 10 IKEE Cc1cccc(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 1950053786 DZKRNGCCWLBZSR-PDOGEWKWSA-N 427.545 5.028 30 10 IKEE CC(C)(C)OC(=O)NC1CC2(CC[C@@]2(C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)C1 2012276408 HZKIKCOQMPBYCL-AWYJXPRZSA-N 447.601 5.215 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 2016054890 MLPLAVFKZDSBDP-XZOQPEGZSA-N 428.617 5.307 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CC2)C12CCCCC2 2024621427 VOVJEBXKHFLMHL-XMMPIXPASA-N 433.593 5.382 30 10 IKEE CC1(C)CSC(=Nc2cccc(C(F)(F)F)c2)N1C(=O)C=Cc1ccc(Cl)cc1 2040437350 RCLVYQHOWKDJRB-UHFFFAOYSA-N 438.902 6.414 30 10 IKEE CC[C@@H]1CSC(Nc2ccc(C(=O)C=Cc3ccc(Oc4ccccc4)cc3)cc2)=N1 2040459110 QFFSNQJKVMTZBJ-OAQYLSRUSA-N 428.557 6.668 30 10 IKEE C=C(COCCC)[C@H](NC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071360969 YAWIKELFZDWGGE-NDEPHWFRSA-N 431.576 6.088 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(Cc3ccccc3)C(C)(C)C2)c1 2079261445 ADEGUOWEZLEETP-MHZLTWQESA-N 433.596 6.074 30 10 IKEE Cc1cc(O)c([C@@H](C(C)C)n2nc(C(C)C)c(C#N)c2I)cc1C 2079958750 RBNVOPZBRYLUFN-GOSISDBHSA-N 437.325 5.051 30 10 IKEE O=Cc1c(C(F)(F)F)nn([C@H](c2ccc(C(F)(F)F)cc2F)C2CCC2)c1Cl 2079971490 HTPPCSBFBVIMGF-ZDUSSCGKSA-N 428.735 5.915 30 10 IKEE CCOc1ccc([C@H](n2nc(C(F)F)c(C=NO)c2Br)C2(C)CC2)cc1 2080119161 GMXGFNFNTWPDBT-HNNXBMFYSA-N 428.277 5.180 30 10 IKEE N#Cc1c(C2CCCC2)nn2c(Cl)cc(-c3ccccc3I)nc12 2081182505 GMXMHNJBVXYLMU-UHFFFAOYSA-N 448.695 5.184 30 10 IKEE C=CCCCCCC[C@@H](NC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2085838412 CVPVDTMORSQQEU-SHQCIBLASA-N 444.660 5.945 30 10 IKEE CC[C@H](C)C[C@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)NC1CC1 2086501006 RWSZZXIQUAUFFZ-CUBQBAPOSA-N 432.656 5.071 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCC[C@H]2CSC[C@@H]21 2087834390 SAFKTBKYLJDOGA-VHFSOBRXSA-N 437.403 5.616 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(Cl)ccc(Br)c1F 2122141532 BSOJWKGUEGXLPB-WMLDXEAASA-N 449.792 5.752 30 10 IKEE CC(C)(C)OC(=O)N(CCNc1cc(Br)cc(C#N)c1)C1CCCCCC1 2162419624 JNBZYVLJOVZXBR-UHFFFAOYSA-N 436.394 5.693 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1cc(Br)c(OCC)c(OC)c1 2164106925 GOJJKNPQDNRDFU-OAQYLSRUSA-N 434.374 5.280 30 10 IKEE CCCCCCCCCC[C@H](O)c1sc(Br)c(C)c1Br 2164491656 IJUSLYAFBPNFEZ-ZDUSSCGKSA-N 426.258 7.146 30 10 IKEE CC1(C)CCC[C@@H]([C@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)C1 2168592812 RCCIDWDKNFHFBU-ZHRRBRCNSA-N 435.406 6.689 30 10 IKEE C#C[C@H](CC(C)C)NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)CC 2210719662 GYMYNODNZARHNR-XMERXJNXSA-N 446.591 5.104 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)C[C@H](C)N(CC)C(=O)OC(C)(C)C 2235745306 BXMGYAPSYDRLSV-HKUYNNGSSA-N 437.422 5.204 30 10 IKEE CN[C@@H](C#Cc1ccccc1Br)CCC[C@@H](NC(=O)OC(C)(C)C)C(C)C 2235745313 BXZHOVMLDDVDBH-UYAOXDASSA-N 437.422 5.108 30 10 IKEE CN[C@@H](C#Cc1ccc(Cl)cc1)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2239458251 KAYKAZOUKUPRLE-SFHVURJKSA-N 449.776 5.762 30 10 IKEE C=CCN(C[C@@H](NC)c1cc(Br)cc(C(C)(C)C)c1)C(=O)OC(C)(C)C 2273010139 ZOLXYUASAVOHJK-GOSISDBHSA-N 425.411 5.430 30 10 IKEE CCCN(C[C@H]1CCCCN1C(=O)OC(C)(C)C)c1c(Br)cccc1C#N 2285189173 BODHMCCCXMQCQW-QGZVFWFLSA-N 436.394 5.327 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCCC)c2cc(F)cc(Br)c2F)C1 2288492642 IMLOMAIWUWCSDV-KRWDZBQOSA-N 445.348 5.382 30 10 IKEE C=CCOc1c(Cl)cc(C=C2SC(=Nc3ccc(C)c(C)c3)N(C)C2=O)cc1OC 2293641257 QLXKSMIXXCMNAE-UHFFFAOYSA-N 442.968 5.764 30 10 IKEE C=CCn1cc(C=C2SC(=Nc3ccc(C(=O)OC)cc3)N(CC)C2=O)c2ccccc21 2293716032 FKXSELWWZVAVTQ-UHFFFAOYSA-N 445.544 5.238 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H](C[C@H](C)CC)NC(=O)OC(C)(C)C 2296310547 LAQUHIJBKAWVAQ-NSISKUIASA-N 437.422 5.108 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3c(ccc(OCc4ccc(C)cc4)c3C)C1=O)cn2C 2296871324 NSJVESBVBFHOAR-UHFFFAOYSA-N 439.511 5.999 30 10 IKEE CCn1cc(C=C2Oc3cc(OC(=O)c4ccccc4Cl)ccc3C2=O)c2ccccc21 2296872151 WVPREXVVWJCVTA-UHFFFAOYSA-N 443.886 6.150 30 10 IKEE N#Cc1cc(F)ccc1Sc1cc(I)ccc1Br 2316384036 HMEOPQOMUIVXTM-UHFFFAOYSA-N 434.071 5.216 30 10 IKEE CN[C@H](C#Cc1ccc(C(F)F)nc1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2317954188 ZGZNIVRUPUFSSQ-NRFANRHFSA-N 443.538 5.176 30 10 IKEE Cc1cc(OCc2ccc(F)cc2Cl)cc2c1C(=O)C(=Cc1ccc3c(c1)OCO3)O2 2321862935 ONJDOTPNYASDBK-UHFFFAOYSA-N 438.838 5.711 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1c(Cl)cccc1Cl)O3)CN(C[C@H]1CCCO1)CO2 2321961833 ZHWHGUQQPHTNLB-CQSZACIVSA-N 446.330 5.249 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O3)CN([C@H]1CCCC[C@@H]1C)CO2 2322153078 CQWFIEPKGYXDES-MBSDFSHPSA-N 445.603 6.639 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(C(C)C)cc1)C3=O)CN(CCc1ccccc1)CO2 2322286983 XTLWABVXRQSKBX-UHFFFAOYSA-N 439.555 6.129 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(C)c2)cc1 2322362623 CHWWGTZPYTXTSI-UHFFFAOYSA-N 447.962 6.433 30 10 IKEE O=C(C=Cc1ccccc1OCc1ccc(Cl)cc1)c1ccc(Br)cc1 2322416506 RAPQQTRVBGBQIT-UHFFFAOYSA-N 427.725 6.578 30 10 IKEE O=C(C=Cc1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)c1ccccc1 2322542582 OLRXOKUHZWZNIY-UHFFFAOYSA-N 438.277 5.832 30 10 IKEE CCOc1c(Br)cc(Br)cc1C=CC(=O)c1ccc(F)c(C)c1 2322634452 DPSVWWZUOIYTIU-UHFFFAOYSA-N 442.122 5.954 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccccc4Br)c3C)C2=O)o1 2322714719 JLIKEMPBUBGEGP-UHFFFAOYSA-N 439.261 5.494 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(F)c(F)c2)c1OCc1ccc(Cl)c(Cl)c1 2322784964 GDISNMOBBHNZEK-UHFFFAOYSA-N 449.280 6.755 30 10 IKEE Cc1c(OC(=O)c2cccc(Cl)c2)ccc2c1OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2322914370 QBBRWFBDDADATA-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4cccc(Br)c4)cc(C)c3C2=O)cc1 2322930423 CSUBLQZPZZYYRW-UHFFFAOYSA-N 449.300 5.901 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1OCC(=O)Nc1cccc(C)c1 2323126484 ZPWRVMSYZKILCY-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE Cc1cc(OC(=O)C(c2ccccc2)c2ccccc2)cc2c1C(=O)C(=Cc1ccccn1)O2 2323212620 MCWSUXUEFURUQI-UHFFFAOYSA-N 447.490 5.744 30 10 IKEE COc1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(OC)cc2)C3=O)cc1 2323423478 YDTMDLOQOWDJDM-UHFFFAOYSA-N 442.467 5.247 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)cc(Cl)c1OCc1ccccc1C 2323472446 AWMFLUBYDTULPD-UHFFFAOYSA-N 434.963 7.085 30 10 IKEE CCOc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccc(CC)cc2)C3=O)cc1 2323511557 QKCNMOOMHFMXTO-UHFFFAOYSA-N 440.495 5.883 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccc(C)cc1 2323532161 PDUYDEHCSFRAMV-UHFFFAOYSA-N 441.354 7.176 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(OC)c(OCc2ccc(Cl)cc2)c(OC)c1 2323700907 RMVVZDKTTASLPT-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE Cc1cc(OCC(=O)OCc2ccccc2)cc2c1C(=O)C(=Cc1ccc(Cl)cc1)O2 2324221100 ZZVNMCJIVCITGX-UHFFFAOYSA-N 434.875 5.387 30 10 IKEE C[C@@H](Oc1ccc2c(c1)OC(=Cc1cccc(Cl)c1)C2=O)C(=O)Nc1ccc(F)cc1 2324306793 VXJMLEQGQYZNBT-CQSZACIVSA-N 437.854 5.501 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OCC(=O)N[C@H](C)c1ccccc1 2324455985 GACYUGFROQEXDA-OAQYLSRUSA-N 443.543 5.464 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc(Br)c1OC 2324538478 SFQKBQUXDMVIAE-UHFFFAOYSA-N 425.706 5.333 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(C(C)C)cc3)n2)cc1Cl 2324807258 YVPAHSVQJIUHHR-IBGZPJMESA-N 436.964 6.485 30 10 IKEE COC(=O)c1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1 2324824020 SKQAXFFPOXEKGT-AWEZNQCLSA-N 428.922 5.201 30 10 IKEE COc1ccc(C=C2Oc3cc(OCc4ccc(C(=O)OC(C)C)o4)ccc3C2=O)cc1 2325385099 OQUSFJYVANWEOC-UHFFFAOYSA-N 434.444 5.049 30 10 IKEE CCN(CC)CCOc1cc(C)c2c(c1)OC(=Cc1ccccc1Br)C2=O 2325703305 AKQSPPIBYXHXSN-UHFFFAOYSA-N 430.342 5.094 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3ccc(C)c(C)c3)c2)cc1 2325711655 IVIDZISFDXADED-UHFFFAOYSA-N 442.555 6.527 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccccc3-c3ccccc3)c2)cc1C 2325714985 KGYHMKAOSNHXAR-UHFFFAOYSA-N 448.518 6.786 30 10 IKEE Cc1ccsc1C(=O)Oc1cccc(C=CC(=O)c2ccc(Br)cc2)c1 2325716363 FCOXSIGTLAHKRR-UHFFFAOYSA-N 427.319 5.934 30 10 IKEE Cc1c(OCC(=O)Nc2ccccc2C(C)C)ccc2c1OC(=Cc1ccncc1)C2=O 2325726397 KQKKPMYLDAZSRU-UHFFFAOYSA-N 428.488 5.147 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccccc3[N+](=O)[O-])c2)c(C)c1C 2325755493 AGVIRPOHFPKBQD-UHFFFAOYSA-N 445.471 5.264 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OC(=O)c1cccc(Cl)c1 2325764410 MVUPGFMBFKKQIC-UHFFFAOYSA-N 434.919 6.389 30 10 IKEE CCCOc1ccc(C=Nn2c(COc3cc(C)c(Cl)c(C)c3)nnc2SC)cc1 2326094488 UAKODCDHBDUXDB-UHFFFAOYSA-N 444.988 5.520 30 10 IKEE CCCOc1cccc(C=Nn2c(CCCOc3c(C)cccc3C)nnc2SC)c1 2326357990 HIAZNILSJLIWPN-UHFFFAOYSA-N 438.597 5.299 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1ccc(OCC(C)C)cc1 2326442795 SEKIGVGGZIEXIC-UHFFFAOYSA-N 436.625 6.057 30 10 IKEE CCCCC1CCC(c2nnc(SCC)n2N=Cc2ccc(C(=O)OC)cc2)CC1 2328148306 MPIPXJJIHRWOIG-UHFFFAOYSA-N 428.602 5.523 30 10 IKEE C=C(C)CSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1ccccc1C(=O)O 2328155970 NFEQEFZQYQVGEX-UHFFFAOYSA-N 440.613 5.991 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(OC)cc2)n1N=Cc1c(F)cccc1Cl 2328383658 AZLKXTKIDHVVCA-UHFFFAOYSA-N 446.935 5.209 30 10 IKEE Cc1ccccc1CSc1nnc(COCc2ccccc2)n1N=Cc1ccccc1 2329314310 ZEZIOZPAMKEQNV-UHFFFAOYSA-N 428.561 5.478 30 10 IKEE C=C(C)CSc1nnc(CCc2cccs2)n1N=Cc1cccc(OCCC)c1 2329661919 CTGXDUKXZQOGKZ-UHFFFAOYSA-N 426.611 5.464 30 10 IKEE CCCCOc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCC)cc1OCC 2330479916 RVAZANBRZWXXMO-UHFFFAOYSA-N 438.597 5.441 30 10 IKEE O=C(Cc1ccccc1F)Oc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1Cl 2330658980 APPIYKVLGFKFMK-UHFFFAOYSA-N 444.889 6.677 30 10 IKEE CCSc1nnc(-c2ccccc2)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2330663298 UNZCLTVCYJTFIT-UHFFFAOYSA-N 448.979 6.172 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)cc2)cc1 2330742187 BCLCSOSLUMRTSD-DNQXCXABSA-N 430.931 6.508 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(F)c3)c(OCC)c2)cc1 2330842409 HPSWVHAVAZKMFS-UHFFFAOYSA-N 446.518 6.682 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H](C)c3ccccc3)c([N+](=O)[O-])c2)cc1 2330970828 MVAUBLVNVQIQHZ-QGZVFWFLSA-N 431.444 5.209 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccco2)c(Br)c1)c1ccc([N+](=O)[O-])cc1 2331029910 DKTKDDJVJQVNHG-UHFFFAOYSA-N 442.221 5.066 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)c1cccs1 2331232161 AAVFJSVGFOUURZ-UHFFFAOYSA-N 432.541 6.217 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 2331411897 OBNJSVKVWHLYBR-UHFFFAOYSA-N 428.528 6.498 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1cccs1 2331424977 QCSNOGFOQNXLGB-UHFFFAOYSA-N 434.557 6.560 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2ccccc2Cl)cc1C 2331673767 FGLNLIRQOBTQGX-UHFFFAOYSA-N 441.988 5.285 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C(C)C)c1OC 2331706718 PAWDZHPGWVWINU-UHFFFAOYSA-N 430.961 5.247 30 10 IKEE C=CCn1c(SCc2cn3ccccc3n2)nc(=O)c2c(-c3ccccc3)csc21 944196 ZDENLFJAHRNANI-UHFFFAOYSA-N 430.558 5.251 30 10 IKEE O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1)N(C(=O)c1ccccc1)c1ccccc1N2 9861332 UENBBEOHPDSUAO-VWLOTQADSA-N 428.919 6.161 30 10 IKEE O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1ccc(Cl)cc1)Nc1ccccc1N2 20883490 ZNGDUZVIZVAEQX-GKVSMKOHSA-N 435.354 6.973 30 10 IKEE CCc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(OC)c2O)cc1 21247214 JTYOALNOSIFUCN-WINIVTDRSA-N 440.543 5.943 30 10 IKEE O=C(/C=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 33622503 BJUUPEVIZOSNSR-NTMALXAHSA-N 430.372 5.919 30 10 IKEE Cc1ccc(/N=C/C=C2\C=C(c3ccccc3)OC(C)(C)O2)cc1NC(=O)c1ccccc1 33926501 FASAZHMWKWQXKQ-OENVYKDISA-N 438.527 6.658 30 10 IKEE COc1cc(/C=C2\S/C(=N/c3nc(C)cs3)N(C3CCCCC3)C2=O)ccc1O 39865620 WTGDPSODMPBWOT-UIEPMZJASA-N 429.567 5.102 30 10 IKEE O=C1c2ccccc2C(=O)c2cc(/N=C/c3cn(Cc4ccccc4)c4ccccc34)ccc21 40570826 SUIZDOHNTPGGMT-KBVAKVRCSA-N 440.502 6.216 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2OC(F)F)C3=O)cc1 41285441 SNOVZFDLPQZJLT-MTJSOVHGSA-N 438.382 5.132 30 10 IKEE Cc1cc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)c(C)n1-c1ccc(N(C)C)cc1 59105764 XOKVVSHGQDDXFO-HMAPJEAMSA-N 434.540 5.191 30 10 IKEE CC[C@H](C)Oc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(C(C)(C)C)cc2)C3)cc1 59530920 IMQMAGOPMLRRKF-VNZMSGEBSA-N 445.603 6.166 30 10 IKEE CCOc1cc(/C=C\C(=O)c2ccc3c(c2)-c2ccccc2C3)cc(Br)c1O 96791971 XLXBDHVJSLADJK-YFHOEESVSA-N 435.317 6.021 30 10 IKEE Cc1nn(-c2ccccn2)c2c1C(Cl)=C(/C=N\C(c1ccccc1)c1ccccc1)CC2 101647065 WJEIUWIAOUWHKK-YKQZZPSBSA-N 438.962 6.332 30 10 IKEE Cc1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccccc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1Cl 102623803 BINWNJFDVAGUQV-AGGMBTAESA-N 448.862 5.183 30 10 IKEE CCCOc1ccc([C@@H]2NC(=S)N(CCC)C(C)=C2C(=O)c2ccccc2)cc1Cl 169928931 IPUMJJQSCJMAJM-QFIPXVFZSA-N 443.012 5.927 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2cccc(OC)c2)cc1 169934091 MLRWVYXCUXAHRY-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2cccc(C)c2)cc1 169969702 KIWOFDFWDOEKSV-QHCPKHFHSA-N 431.919 5.994 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccc(F)cc2F)c1 169971476 HSHCEBHMESDFLB-LJQANCHMSA-N 440.471 5.129 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2cccc(C)c2)cc1 169971720 CGXOWXZMKYUBNP-HSZRJFAPSA-N 449.453 5.455 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2cccs2)cc1C 169987755 TZGWYTBQQBHQDW-FQEVSTJZSA-N 425.456 5.426 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2C)[C@H]1c1cccnc1 170005609 DFEZJYNNOAMDLT-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2ccc(OC)cc2)=C(N2CCC(C)CC2)C1=O 170029870 PZFWQJQTSYHYNJ-UHFFFAOYSA-N 440.628 5.648 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2C)c1 170037427 SDSNENRBPMYAHE-HSZRJFAPSA-N 447.918 5.830 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccccc2F)cc1 170072470 ZYGRCIMTAOFDSM-HSZRJFAPSA-N 449.453 5.142 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(F)(F)F)cc3)[C@@H]2c2ccco2)c1 170095380 DNANTDVJOAHYFN-LJQANCHMSA-N 443.377 5.090 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(C)o2)cc1 170102127 LKLOEMPXPVOZLC-HSZRJFAPSA-N 443.455 5.121 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccs2)cc1C(C)(C)C 170166475 HVOIKIZICNHYRU-NRFANRHFSA-N 439.577 5.575 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC(C)C)c3)[C@@H]2c2ccccn2)c1 170170440 MYYAJZLURVCEKQ-DEOSSOPVSA-N 442.515 5.208 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccn2)ccc1OC(C)C 170176360 GJTKLXNLVSMQRS-DEOSSOPVSA-N 442.515 5.269 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccccn1)c1cc2cc(Cl)ccc2o1 170179436 YGODAWDKJIKHFW-OAQYLSRUSA-N 436.895 5.392 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cccnc1)c1ccc(Cl)c(Cl)c1 170194221 HUKSIGHDCBWEOY-LJQANCHMSA-N 431.319 5.299 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccccc2)c1 170225407 SJIUPARQGZTMTQ-RUZDIDTESA-N 441.527 5.875 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccccc2)c(C)c1 170226413 SXOROYSSKRQARY-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(F)cc2)c1 170239454 WNXOFXGRBFXHIG-QHCPKHFHSA-N 431.463 5.397 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2F)cc1C 170249478 NXCFWPBPNSMHJD-XMMPIXPASA-N 445.490 5.624 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2c2cccc(F)c2)o1 170299044 LTHUSNZVZJYRAD-QHCPKHFHSA-N 449.478 5.545 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccc(C)o1 170303530 AYJLJHURKRRVAK-NRFANRHFSA-N 437.879 5.341 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1ccc2c(c1)OCCO2 170326216 PAIVCSQPFATMBM-QHCPKHFHSA-N 449.547 5.052 30 10 IKEE O=C(Nc1ccc(C(F)(F)F)cc1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 170401769 ZRSYESUYOAZFNR-UHFFFAOYSA-N 444.253 5.320 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1ccc(O)cc1 170451587 OQEPJYREKYHUDE-KRWDZBQOSA-N 442.924 5.171 30 10 IKEE CCN1C(=O)/C(=C\c2cc(Br)c(OC)cc2OC)SC1=Nc1ccccc1 252630504 VAZLWADNTQRQKV-AJNDAPIGSA-N 447.354 5.090 30 10 IKEE Cc1ccccc1N=C1S/C(=C\c2cccc([N+](=O)[O-])c2O)C(=O)N1c1ccccc1C 254591878 CMLRLSCKBXPNQA-NGZUUMTHSA-N 445.500 5.726 30 10 IKEE CCSc1nnc(-c2ccco2)n1N=Cc1ccc(COc2ccccc2Cl)o1 254737609 KUKHFODSMFPWGD-UHFFFAOYSA-N 428.901 5.358 30 10 IKEE CCOc1ccccc1N=C1SC[C@H](C)N1C(=O)C1c2ccccc2Oc2ccccc21 254814773 MTQXMUIZZNAIMP-KRWDZBQOSA-N 444.556 5.975 30 10 IKEE CCCOc1cccc([C@@H]2C(c3ccc(OC)cc3)=C(O)C(=O)N2c2ccccc2C#N)c1 526604757 PNUNURAZVOWTMZ-RUZDIDTESA-N 440.499 5.413 30 10 IKEE Fc1ccccc1CSc1nncn1/N=C\c1ccc(OCCCc2ccccc2)cc1 526802668 KTXZORSWOLRLKF-QRQIAZFYSA-N 446.551 5.603 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2cccc([N+](=O)[O-])c2)c1 526808889 QJNHGHLUFSIXBW-XYGWBWBKSA-N 443.532 5.260 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1cccc(C(F)(F)F)c1 526816488 GOMOTDJYUVMGMJ-ROTLSHHCSA-N 438.906 6.077 30 10 IKEE O=[N+]([O-])c1cc(/C=N\n2cnnc2SCc2ccc(Cl)cc2Cl)ccc1Cl 526823038 COHNMXWNGPMWET-YXSASFKJSA-N 442.715 5.321 30 10 IKEE N#Cc1cccc(CN(c2ccc(F)c(Cl)c2)S(=O)(=O)c2cccc(Cl)c2)c1 586221822 STZWDDNVOXTJDU-UHFFFAOYSA-N 435.307 5.400 30 10 IKEE COc1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc3c(c2)CCCC3)cc1 917613757 SYLYVBMIWOXUQN-UHFFFAOYSA-O 442.564 5.056 30 10 IKEE O=C(Oc1cccc(C=Nc2ccc3ccccc3c2)c1)c1sc2ccccc2c1Cl 1083932462 RVSKCBNTNGJOJO-UHFFFAOYSA-N 441.939 7.678 30 10 IKEE CCN(C(=O)c1cc(C#N)c(SC)nc1O)[C@H](C)c1ccc(-c2cccc(OC)c2)cc1 1348646208 WXEXIMCJSKVYBQ-MRXNPFEDSA-N 447.560 5.280 30 10 IKEE CC[C@@H](C)Cc1c(C)sc2nc(S[C@@H](C)C(=O)Nc3cccc(C#N)c3)nc(O)c12 1458893137 BAIZCULUOIJMIS-OCCSQVGLSA-N 440.594 5.285 30 10 IKEE COc1ccc(/C=C2/SC(=Nc3cccc(C)n3)N(c3ccccc3)C2=O)c(OC)c1 1772735954 JTYQLTVCFRYLGV-MALGGUPZSA-N 431.517 5.216 30 10 IKEE CC(C)(C)c1ccc(-c2nn(-c3cccc4ccccc34)cc2/C=N\NC(N)=S)cc1 1857807560 PBMCIJMKVGTSNX-DICXZTSXSA-N 427.577 5.157 30 10 IKEE N#Cc1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)n(Cc2ccccc2Cl)n1 1859389052 YQHSKYHNWQEHBK-UHFFFAOYSA-N 447.325 6.029 30 10 IKEE CCCCCCCCCNC(=O)CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12 1860166763 HXWZSYUJSRWDJZ-VWLOTQADSA-N 447.579 5.058 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccc(F)c2)cc1 1862390447 DGESDFCHOOSKIB-QHCPKHFHSA-N 449.547 6.008 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(OC)cc2)cc1 1862391898 KUCNMELYXITFOI-DEOSSOPVSA-N 433.548 5.559 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2ccc(O)c(OC)c2)cc1 1862397217 OKJGBLSLQXPGCV-WAIKUNEKSA-N 437.536 5.120 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@H]1c1ccc(F)cc1)c1ccc(F)cc1F 1862414300 WUABICBQDITPEM-NRFANRHFSA-N 441.380 5.022 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc(OCC)c1 1862478653 NBVUDUHGCPUXRX-VWLOTQADSA-N 449.591 6.333 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862480517 INMNRVPHZWMRDY-UZUQRXQVSA-N 442.471 5.243 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccc(OC)c1 1862489315 URLZQCSTMNUPRM-VWLOTQADSA-N 449.591 6.251 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2ccccc2)ccc1F 1862508214 YZDKXUITZBUPMI-DEOSSOPVSA-N 429.491 5.345 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2cccc(OC)c2)cc1 1862529538 HMKHNOZGSOEKTC-DEOSSOPVSA-N 433.548 5.559 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2cccc(OC)c2)cc1 1862530814 YKPUYYPHNMIAJD-VXWZWFMZSA-N 433.548 5.415 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@@H]2c2ccc(O)cc2)cc1 1862534380 SBEBZIBLNKMRSA-HSZRJFAPSA-N 447.918 5.387 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2cccc(C)c2)cc1 1862534388 SEKWDYJEPCNMGF-RUZDIDTESA-N 429.560 6.026 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc3c(c2)CCCN3C)cc1 1862538791 QFARIZMJPYSZGC-VWLOTQADSA-N 444.575 5.152 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCc2cccs2)cc1 1862561463 UGZJMFVPIDGRMB-QHCPKHFHSA-N 446.572 5.275 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2cccc(Cl)c2)cc1 1862592162 WQDGGJDTMNXWPU-HSZRJFAPSA-N 447.918 5.175 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccccc1F 1862615214 IKGNXZNCZWPPPU-QHCPKHFHSA-N 437.555 6.282 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(N(C)C)cc1 1862617185 VDSGDBGAKBEWDU-QHCPKHFHSA-N 434.580 5.429 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862625368 DTCMQDRJKMQULU-BXKMTCNYSA-N 441.483 5.063 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(C)cc1 1862660343 KUVFBHJVLSZACV-SANMLTNESA-N 447.619 7.057 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(Cl)cc1Cl 1862667744 JDIRSPLMFXWWJV-FQEVSTJZSA-N 432.347 6.105 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(Cl)cc3)C2=O)c1 1862789210 CADOURXXTIVZLM-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE COc1ccc(C2=C(Nc3ccc4ccccc4c3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862961716 IOZRAYZCUOPOKM-UHFFFAOYSA-N 445.478 5.117 30 10 IKEE CCCCc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3cccs3)C2=O)cc1 1863104068 ZUCQQWKZCWEYOL-UHFFFAOYSA-N 427.529 5.359 30 10 IKEE Cc1cccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3c[nH]c4ccccc34)C2=O)c1C 1863124047 SUMPWZKXHQFIDX-UHFFFAOYSA-N 432.483 5.053 30 10 IKEE CCCCCCCCN1C(=O)C(NC[C@@H]2CCCO2)=C(c2cccc3ccccc23)C1=O 1863583815 PDAAIKHVZMMJGF-NRFANRHFSA-N 434.580 5.049 30 10 IKEE CCC[C@@H](NC(=O)C[C@@H](c1ccc(Cl)cc1)C(C)C)C(=O)Nc1ccccc1C#N 1866760398 DUMDDXJYDFAXGN-IFMALSPDSA-N 425.960 5.265 30 10 IKEE CCCc1nc(Nc2ccc(C#N)cc2)cc(N2C[C@H](C)N(c3ccccc3)[C@H](C)C2)n1 1868401245 UBGSDGYJOXJAGS-BGYRXZFFSA-N 426.568 5.148 30 10 IKEE C=CCN(CC=C)C(=O)[C@@](C)(CC)NC(=O)[C@H](CC(C)C)c1cccc(Br)c1 1869004060 NQWBFHQSDWQSQW-NFBKMPQASA-N 449.433 5.064 30 10 IKEE CCCCCCOc1ccc(C(=O)Nc2c(C#N)nnn2Cc2cccc(Cl)c2)cc1 1870107629 RGDLYKYJHOICBS-UHFFFAOYSA-N 437.931 5.063 30 10 IKEE C=CCn1cc(OCCCOc2ccc(CC)cc2)c(=O)cc1CN(CCC)CCC 1870454357 OFVONKKYPJIELH-UHFFFAOYSA-N 426.601 5.067 30 10 IKEE COc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(CCC1=CCCCC1)C3 1871348833 APJAXALMGBSLNI-IWIPYMOSSA-N 431.532 5.662 30 10 IKEE CC(C)CCN1COc2ccc3c(c2C1)O/C(=C\c1ccccc1Br)C3=O 1871353834 YBBQNTUOIFPYGO-JAIQZWGSSA-N 428.326 5.263 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc(OC(=O)COc3ccc(C)cc3)c2C)C1=O 1871370224 UTZSOZUAUDSCMX-IWIPYMOSSA-N 444.483 5.303 30 10 IKEE Cc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc2c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O2 1871371138 OYFVERVNTDYLRT-QRVIBDJDSA-N 443.455 5.862 30 10 IKEE Cc1c(OC(=O)c2ccc(C(F)(F)F)cc2)ccc2c1O/C(=C\c1ccccc1F)C2=O 1871376149 WAKRGGPWYMRDMW-NDENLUEZSA-N 442.364 5.988 30 10 IKEE CC1(C)C[C@H]2C[C@@](C)(CN2Cc2c(O)ccc3c2O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)C1 1871394356 SVLQTEGSTGBAPX-UHZMZGNXSA-N 448.519 5.317 30 10 IKEE Cc1c(OCCC(=O)OCCC(C)C)ccc2c1O/C(=C\c1cn(C)c3ccccc13)C2=O 1871429802 YKMVYZHHRQEXLX-IWIPYMOSSA-N 447.531 5.461 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCCC(=O)Nc4ccc(C)cc4)cc(C)c3C2=O)c1 1871431327 OOSHDHORKHAGNO-IWIPYMOSSA-N 443.499 5.336 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc3c(c2C)O/C(=C\C=C\c2ccccc2)C3=O)c1 1871460386 KJJHNEQCIWHLIL-BDUSHXLBSA-N 439.511 5.802 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(F)cc1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1871873742 IXYIGSVXSAUOAS-SBUREZEXSA-N 446.588 5.063 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(CC)cc1)[C@@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1872096205 BBZQKWMNFCUWSV-JTSKRJEESA-N 449.016 5.133 30 10 IKEE N#C[C@@H](C(=O)c1ccccc1C(=O)c1ccccc1)c1nc(-c2c[nH]c3ccccc23)cs1 1872777657 SGYMAWRQEZOMHO-NRFANRHFSA-N 447.519 6.012 30 10 IKEE CCCCCCCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(C)c(C)c3)n2)cc1 1872777781 WAZGZNFFOBEVJX-DEOSSOPVSA-N 446.616 7.266 30 10 IKEE COc1cccc(C(=O)[C@H](C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)c1 1872778995 YXBHWLCCZJZQAO-HNNXBMFYSA-N 433.316 5.624 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@H](C#N)C(=O)c2ccc(-c3ccccc3)cc2)n1 1872780529 JILLOMZGAFKYIY-HSZRJFAPSA-N 438.552 6.593 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(OC)cc3)n2)c1 1872781854 YXGBBCVNMZMFIF-NBILRRPASA-N 448.544 5.506 30 10 IKEE C=CCN1C(=O)C(Nc2cc(Cl)ccc2OC)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873276717 QQZFGCCVFTVTMA-UHFFFAOYSA-N 444.918 5.394 30 10 IKEE C=CCN(CC=C)c1nc(Nc2ccc(C(C)(C)C)cc2)c2cnn(-c3ccccc3)c2n1 1873481785 PPZKJFSQSLNVNF-UHFFFAOYSA-N 438.579 6.035 30 10 IKEE C=CCN(CC=C)c1nc(Nc2ccccc2C(C)(C)C)c2cnn(-c3ccccc3)c2n1 1873481831 RKYVGJFSDUWVEU-UHFFFAOYSA-N 438.579 6.035 30 10 IKEE Cc1cc(C)cc(N2CC(=O)C(c3nc(-c4ccccc4)c(-c4ccccc4)s3)=C2N)c1 1873527818 SGMLBSSPBHSZMB-UHFFFAOYSA-N 437.568 5.811 30 10 IKEE CCCCCCCCCCN1CC(=O)C(c2nc(-c3ccc(F)cc3)c(C)s2)=C1N 1873528149 IUUDDVYOROIMGC-UHFFFAOYSA-N 429.605 5.910 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc3nc[nH]c3c1)n2C 1873629049 IDJWJNCDSWIIJN-UHFFFAOYSA-N 447.587 5.650 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)c(C)c2)cc2c(NCCC3=CCCCC3)ncnc21 1873638883 AIALISUNHVQEQX-UHFFFAOYSA-N 449.986 6.134 30 10 IKEE CCOc1ccc(Cc2nnc(SCC)n2/N=C/c2ccc(Cl)c(Cl)c2)cc1 1874303688 NCGZCWNALCKBAM-YDZHTSKRSA-N 435.380 5.569 30 10 IKEE CCCOc1ccc(/C=N/n2c(Cc3ccc(Cl)cc3)nnc2SC)cc1OCC 1874339277 PMNGOPWYFMBWDD-BUVRLJJBSA-N 444.988 5.314 30 10 IKEE Clc1cccc(CSc2nnc(COc3ccccc3)n2/N=C/c2ccncc2)c1 1874386965 POJAKPHTQGTDTN-AFUMVMLFSA-N 435.940 5.080 30 10 IKEE C=C(C)CSc1nnc(Cc2ccccc2)n1/N=C/c1c(OC)ccc2ccccc12 1874416852 LBWQTIGWAQDYJF-WGOQTCKBSA-N 428.561 5.581 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(C)n2/N=C/c2ccc(Cl)c(Cl)c2)cc1 1874530671 VDEVCIAXEWOAPO-FOKLQQMPSA-N 448.379 5.069 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCc2ccccc2F)cc1 1874577762 DUBBKEFSEWTTMR-JLHYYAGUSA-N 440.898 6.362 30 10 IKEE CCCOc1c(/C=C/C(=O)c2cc(OC)ccc2OC)cc(Br)cc1OC 1874580680 BAXMIOAKNDRJKQ-SOFGYWHQSA-N 435.314 5.160 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cc(Cl)cc(OC)c1OCc1ccccc1 1874592533 OLYHSOVYFOTLRX-CSKARUKUSA-N 443.326 6.486 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3cccc(C)c3C)c2)cc1Cl 1874600119 UTLYCTCMBQVCEO-ZRDIBKRKSA-N 449.934 5.879 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Cl)c1OCc1cccc(F)c1 1874612022 XGRMNSLGQQGGRP-RMKNXTFCSA-N 446.852 6.631 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCc3c(F)cccc3Cl)c([N+](=O)[O-])c2)cc1 1874616209 NYEMARIIXZNKOR-YRNVUSSQSA-N 425.843 6.171 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OCc1cc(C)ccc1C 1874617556 HRJKOBPBILWWCZ-WYMLVPIESA-N 440.583 7.132 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)CCc3ccccc3)c2)cc1C 1874696152 KZTBFBQYIXCFKV-UKTHLTGXSA-N 430.500 5.447 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OC(=O)c1cccc2ccccc12 1874698546 BLZHVHWYCBZNCJ-JQIJEIRASA-N 438.479 5.972 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc(Cl)cc3)ccc2OC)cc1 1874700778 MFBCXFKNJDMWCE-LNKIKWGQSA-N 436.891 5.863 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1OC(=O)CCCSC 1874712266 CYYXCSZOWXZPLM-DHZHZOJOSA-N 428.550 5.265 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1OC(=O)C(F)(F)F 1874715921 SIPZDOFWGLSXBC-HWKANZROSA-N 449.208 5.374 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(OC)cc3)c(OC)c2)cc1 1875101120 KQAYTFXDKVBAHW-OQLLNIDSSA-N 430.500 5.310 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OC(=O)C(C)(C)C 1875104712 KXCXKVZRXVGMLE-RMKNXTFCSA-N 437.319 5.858 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3ccccc3)cc2)cc1 1875105778 LVLLWQZLOSSVPG-LTGZKZEYSA-N 442.555 6.690 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OC(=O)CSc1ccccc1 1875110411 JRVTXDSFLJZYIA-ACCUITESSA-N 438.932 5.942 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)c3ccccc3)c([N+](=O)[O-])c2)cc1 1875114175 MVAUBLVNVQIQHZ-LEHPZIBWSA-N 431.444 5.209 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)c1cncc(C)c1 1875135669 BMFOIWFAPBHGLR-JXMROGBWSA-N 435.907 5.866 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)C2CCCC2)c(Br)c1 1875143115 JTMGDXILMUSPGR-CSKARUKUSA-N 443.337 5.758 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc(Cl)c1OC(=O)CC(C)C 1875151820 DOTSDQCNIUMEBL-SOFGYWHQSA-N 434.891 5.734 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1 1875184933 XWSVTHCSPHRTEM-GHRIWEEISA-N 428.528 6.416 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)COc3ccccc3OC)cc2)cc1C 1875186796 KNIJPCZGWUMMSP-SDNWHVSQSA-N 446.499 5.201 30 10 IKEE C=CCn1c(C(=O)N2CCCCCC2)cc2c(NCCCCCCCCCC)ncnc21 1875229084 NVUIMIYLYHAWQM-UHFFFAOYSA-N 439.648 6.186 30 10 IKEE COC(=O)Cc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc(N=[N+]=[N-])c1C 1887521404 KCEJBTHFUKIEQX-UHFFFAOYSA-N 442.475 6.013 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)CCc3cc(Cl)cc(Cl)c3)cc21 1890677641 PQEWHQNTGUZIFX-UHFFFAOYSA-N 447.362 5.502 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)NCCC 1906922551 ZWDDTZTYIQRPOB-SGNDLWITSA-N 430.633 5.601 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@@H]1C[C@@H]2C[C@@H]2C1 2004665863 PUZDBZLUPRAJCA-UDIRQSBCSA-N 428.617 5.067 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@]1(O)CCC(C)(C)C[C@@H]1OCc1ccccc1 2043836727 KHNZQMOELWGSMU-NSVAZKTRSA-N 437.624 5.264 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@@H](CNC(=O)OC(C)(C)C)C2(C)C)cc1 2053042054 AGFLOWTXXXGQFG-AVRWGWEMSA-N 443.588 5.570 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)C1(C#N)CC2(C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)C1 2065408188 KYAGHORUEHYJRY-KNABUGHNSA-N 447.620 5.626 30 10 IKEE CC#CCC[C@H](NCCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071268391 XFDWNFAOJIOEBV-MHZLTWQESA-N 427.588 6.689 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Nc2cc(Br)cc(F)c2C#N)c(Cl)c1 2107438231 JGVDTHPCJNASFI-UHFFFAOYSA-N 440.700 6.204 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](CNc2ccc(C#N)c(Br)c2)(C(C)(C)C)C1 2162291960 SOMHORBMOIQQHB-NRFANRHFSA-N 436.394 5.406 30 10 IKEE COc1cc(Br)ccc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(C)c1 2165552375 ZQGRPXVRSSPOKM-SFHVURJKSA-N 431.330 5.773 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)cc(C)cc1Br 2173459584 XFYOQNHBBIPLEV-MJGOQNOKSA-N 443.401 5.797 30 10 IKEE C#CC1(Oc2cc(Br)ccc2C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC1 2198816272 VQMRCQALFBCMOX-UHFFFAOYSA-N 448.279 5.250 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@]1(C=O)Cc1c(Br)sc2ccccc12 2224706701 PRZRWEYCECTUGU-FQEVSTJZSA-N 438.387 5.565 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Cl)c(Cl)c(Cl)c1 2232514556 VCCXTMINLQMDOW-SJLPKXTDSA-N 435.823 6.547 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@H](C#N)c1sc(Cl)cc1Br 2242100012 GROOYVPBJASCNR-CQSZACIVSA-N 441.778 6.166 30 10 IKEE CC(C)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N(Cc2ccccc2)C2CCC2)c1 2267578264 WCQVREATUVADHV-UHFFFAOYSA-N 433.401 5.304 30 10 IKEE C=CC[C@]1(COc2nccc(C)c2Br)CCCN(C(=O)OC(C)(C)C)C1 2272151437 VRNCYDBIVSJGPV-FQEVSTJZSA-N 425.367 5.125 30 10 IKEE C[C@@](O)(c1cc(Br)c(Br)s1)[C@@]1(C#N)CCCC(F)(F)C1 2281187361 AANCMLPKSOAMQJ-NEPJUHHUSA-N 429.124 5.200 30 10 IKEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1 2282122671 KJFOOTDQOMMEGR-UHFFFAOYSA-N 443.352 5.126 30 10 IKEE CCOC(=O)C1=C(Nc2ccc(Cl)cc2)SC(=Cc2ccc(C(C)(C)C)cc2)C1=O 2293299514 JNHVMCJKEAPXRS-UHFFFAOYSA-N 441.980 6.181 30 10 IKEE Cc1ccc(N2C(=O)C(=C3Sc4ccccc4N3C)SC2=Nc2ccccc2C)cc1 2295165157 SPBFAUGXCXAEJD-UHFFFAOYSA-N 443.597 6.482 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)CCCN(CC)C(=O)OC(C)(C)C 2296307851 ZOFZDUQQVOBGPH-FQEVSTJZSA-N 437.422 5.206 30 10 IKEE CCCCN(CCCC)Cc1c(O)ccc2c1OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2296588946 AZPMQJLSOPGEAK-UHFFFAOYSA-N 448.390 6.717 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2308985692 PKJSPCOKTGOPMV-BYEUEOSGSA-N 445.535 5.153 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CC3)n2N=Cc2ccc(Cl)c(Cl)c2)c1 2320858447 HSRVBJWTJRXKMP-UHFFFAOYSA-N 431.392 6.254 30 10 IKEE CCCCCOc1ccc(C=Nn2c(C)nnc2SCc2ccccc2C)cc1OC 2321097330 XPCMVYBNQDHVLP-UHFFFAOYSA-N 438.597 5.647 30 10 IKEE CCOc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(Cc1cccc(C)c1)C3 2322218128 UQIISKUQCNHGMK-UHFFFAOYSA-N 441.527 5.670 30 10 IKEE COc1ccc([C@@H](C)N2COc3cc(C)c4c(c3C2)OC(=Cc2ccc(C)o2)C4=O)cc1 2322248811 MRZUNUDYRMUPCM-QGZVFWFLSA-N 431.488 5.434 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(Cl)cc1)C3=O)CN(CCCOC(C)C)CO2 2322333344 AMQPLKUWKHERIX-UHFFFAOYSA-N 427.928 5.232 30 10 IKEE CCN(CC)CCCCN1COc2c(cc3c(c2C)OC(=Cc2ccccc2C)C3=O)C1 2322390826 CEHXNQPHABPGQN-UHFFFAOYSA-N 434.580 5.194 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2ccccc2C)cc1C 2322416356 XQRAVSFZEMPFRJ-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE COc1ccc([C@@H](C)N2COc3c(cc4c(c3C)OC(=Cc3ccc(C)cc3)C4=O)C2)cc1 2322437236 RTBXNVILTIPGCA-LJQANCHMSA-N 441.527 5.841 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2ccc(Cl)cc2Cl)cc1 2322457300 RDVRCQZTWSOCTM-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE Cc1cccc(NC(=O)COc2ccccc2C=CC(=O)c2ccc(C(C)(C)C)cc2)c1C 2322681314 ZLFSMMPMNBZSBO-UHFFFAOYSA-N 441.571 6.515 30 10 IKEE O=C(COc1ccccc1C=CC(=O)c1cc(Cl)ccc1Cl)NC1CCCCC1 2322999146 RWBFYDPWJYCFDJ-UHFFFAOYSA-N 432.347 5.717 30 10 IKEE Cc1ccc(NC(=O)COc2cccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)c2)c(C)c1 2323098220 BBBLRRPGQAZBFK-UHFFFAOYSA-N 430.460 5.125 30 10 IKEE CCCCCCOc1c(OC)cc(C=NNc2nc3ccccc3s2)cc1[N+](=O)[O-] 2323153828 MDPBSEYRAZRDNM-UHFFFAOYSA-N 428.514 5.618 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OCC(=O)Nc3cc(C)ccc3C)c2)c1 2323177899 GVYWXXCLMCZFQL-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE CCCCCCCCCOc1ccc(C=NS(=O)(=O)c2cccs2)cc1OCC 2323438104 QVHMRHSJAYHNNV-UHFFFAOYSA-N 437.627 6.084 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2ccc(OC)cc2)cc1OC 2323648464 FQOMLSHLBYYKMQ-UHFFFAOYSA-N 445.515 5.180 30 10 IKEE CC(C)N(Cc1ccccc1)Cc1c(O)ccc2c1OC(=Cc1ccccc1Cl)C2=O 2324011969 PLLZVDUHSYOAIO-UHFFFAOYSA-N 433.935 6.072 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(OC)c1OCc1ccc(C)cc1 2324098015 NBGVQYSVZBTJRY-UHFFFAOYSA-N 442.511 5.936 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc(Cl)c2)c(Br)c1)c1ccc(F)cc1 2324184216 HTQGDAJSQJTTQU-UHFFFAOYSA-N 445.715 6.717 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(C(C)C)cc2)ccc2c1OC(=Cc1cccc(F)c1)C2=O 2325318643 UAFNZYCNOZFCHI-UHFFFAOYSA-N 445.490 5.891 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(OC)cc1OC 2325565256 BUTRATYGZWLVPR-UHFFFAOYSA-N 446.576 5.576 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC(=O)c3c(F)cccc3Cl)c2)cc1 2325712653 KFXTVHGQOBLDIB-UHFFFAOYSA-N 436.910 6.937 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OCC(=O)Nc3ccccc3C(C)C)c2C)C1=O 2325726517 CRINCNNCSLHNAT-UHFFFAOYSA-N 441.527 6.061 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2cccc(C=CC(=O)c3ccc(Cl)cc3)c2)c1 2325730234 VFCJAKIVAJZMSA-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc2c(c1C)OC(=CC=Cc1ccccc1)C2=O 2325737613 CZMFJZYNISEUCP-UHFFFAOYSA-N 439.511 5.747 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)CCCSC)c2)cc1 2325739049 KYLNBLOAILTTNK-UHFFFAOYSA-N 428.550 5.429 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1OC(=O)c1ccccc1OC 2325746047 QRKWKNMWEZMPDQ-UHFFFAOYSA-N 444.527 6.117 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)CCc3ccccc3)c2)cc1F 2325748106 QAUKZQQFMDIUQY-UHFFFAOYSA-N 434.463 5.277 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc4cc(Cl)ccc4n3)c2)cc1C 2325760623 HAVXQFXHPMKSAA-UHFFFAOYSA-N 441.914 6.620 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1c(C)n(CC)c2ccccc12 2326306524 MIIRJRAIBJFYNC-UHFFFAOYSA-N 445.636 6.387 30 10 IKEE CCCCCOc1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)cc1OC 2326342515 BZUSUNSWKFPAPH-UHFFFAOYSA-N 444.988 5.684 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1cccc(OC)c1OCC 2326681410 HDCXKQROVAXYTM-UHFFFAOYSA-N 449.580 5.074 30 10 IKEE CCn1c(C)c(C=Nn2cnnc2SCc2ccc(Cl)cc2Cl)c2ccccc21 2326697745 OWKBGWOWOWNROZ-UHFFFAOYSA-N 444.391 6.042 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2N=Cc2ccc(O)c(OC)c2)CC1 2328179791 LKTFFXLEXWPYFX-UHFFFAOYSA-N 430.618 5.841 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)C1CCC1 2330609703 FSQJAOAFQJRXSV-UHFFFAOYSA-N 426.512 6.354 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)Cc1ccc(F)cc1F 2331080394 VWDUICSDJJSZTP-UHFFFAOYSA-N 438.426 5.026 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)cc2F)c(Cl)c1)c1ccc(F)cc1F 2331092593 ZQTIDUNFZQXUGB-UHFFFAOYSA-N 434.772 6.012 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1Br)c1cccnc1 2331092651 MOPZVVDPLVDPPE-UHFFFAOYSA-N 444.231 5.238 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1[N+](=O)[O-] 2331092975 KSLCWTFKTWEJPL-UHFFFAOYSA-N 429.419 5.645 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3cccc(OC)c3)cc2)cc1 2331189788 CWAMYOBMBPDVRF-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(-c2ccco2)n1N=Cc1ccccn1 2331216021 QOCFLGHKXIYUEH-UHFFFAOYSA-N 430.320 5.414 30 10 IKEE CCCCc1nnc(SCCc2ccccc2)n1N=Cc1c(OC)ccc2ccccc12 2331340127 UBQNTVXPLHCFSS-UHFFFAOYSA-N 444.604 6.000 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C2CCC2)cc1 2331546346 OKOUTFLXTCIKGV-UHFFFAOYSA-N 442.991 6.636 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)ccc1OC(=O)c1ccco1 2331597347 BKUMIAIPCNZMLG-UHFFFAOYSA-N 440.451 6.196 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)CCc1ccccc1 2331657761 IUBQBFAYKANWNB-UHFFFAOYSA-N 442.555 6.363 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2cc(Cl)c(OC)cc2OC)cc1OC 2331703494 OKOVGSRVHCFCBE-UHFFFAOYSA-N 432.900 5.358 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(C)c(C)c2)cc1OCC 2331708133 DZESLZWKHYYLIH-UHFFFAOYSA-N 442.983 7.127 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)c1ccccc1 2331710146 RSRQNLZDLCGNTI-UHFFFAOYSA-N 426.512 6.156 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3c(C)cccc3C)cc2)c(OC)c1 2331716846 AZLXNNLAYMAZPE-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE CCCCCCC(=O)Oc1c(OC)cc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OC 2331767675 AQGNNXVPOWFZRZ-UHFFFAOYSA-N 438.564 6.401 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)c1ccco1 2331770367 OAZBLGQLCWYKGW-UHFFFAOYSA-N 438.907 6.372 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)c1ccccc1F 2331802475 XZYBJTCOSIFPAG-UHFFFAOYSA-N 446.518 6.556 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2ccc(OC(=O)c3cccnc3)cc2)cc1Cl 2331802592 CSOISNASUXGGHI-UHFFFAOYSA-N 428.271 5.512 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)cc1 2339538045 YDUSHAGMUCOHQL-UHFFFAOYSA-N 437.349 5.817 30 10 IKEE C[C@H]1CN(Cc2ccccc2)C[C@H](C)N(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2365058837 HFTCOLGGJPMVFQ-TYOAQRMGSA-N 447.432 5.073 30 10 IKEE C=CCCCC[C@H](NCCC)[C@@H](O)c1sc(Cl)cc1I 2366659940 JZDGEJPUUXZIRQ-GXTWGEPZSA-N 427.779 5.154 30 10 IKEE C=CCCCCCCCC(=O)[C@@H](O)c1sc(Cl)cc1I 2366787503 UPBQEPXNZDNZEX-CQSZACIVSA-N 426.747 5.525 30 10 IKEE COc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1O 9601029 NKJHSBJSERJWFG-URAOTHONSA-N 447.534 6.621 30 10 IKEE C=C(C)COc1cccc(NC(=O)COc2c(Cl)cc(Cl)cc2Br)c1 9824417 IYYYFDZSVPNUPF-UHFFFAOYSA-N 445.140 5.728 30 10 IKEE CC(C)COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccncc2)cc1 21242239 CEZCQBYBSGQKQB-LYZGTLIUSA-N 439.559 6.096 30 10 IKEE CCOc1ccc([C@H]2C3=C(C[C@H](c4ccc(OC)cc4)CC3=O)Nc3onc(C)c32)cc1 21660458 IZMNHMUWDJVXOA-MHECFPHRSA-N 430.504 5.349 30 10 IKEE CCOC(=O)c1ccc2c(c1)nc(SCc1cccc(C#N)c1)n2CCCOC(C)C 23333525 UURQXEWSQJEWOX-UHFFFAOYSA-N 437.565 5.192 30 10 IKEE CC(C)(C)[C@H]1CCc2nc(SCc3ccccc3C#N)c(C#N)c(C(F)(F)F)c2C1 27751095 JPAFBPCTZXJVOR-INIZCTEOSA-N 429.511 6.287 30 10 IKEE COc1cc(/C=C2/CCC/C(=C/c3cc(O)c(OC)c(Cl)c3)C2=O)cc(Cl)c1O 33457455 TYDRJXNCYVKYQC-LRSUZXNRSA-N 435.303 5.642 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)/C=C/c3ccccc3)c(OC)c2)c1 34955181 MDPGCHAZVFWNBH-XBLSULRXSA-N 444.483 5.227 30 10 IKEE C=CCC[C@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1 36305552 HMZISNBDPKLXJD-QFIPXVFZSA-N 449.595 5.427 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCc4ccc(C(=O)OC)cc4)cc(C)c3C2=O)cc1 41502119 ADXCXMJWBFPDKS-OYKKKHCWSA-N 444.483 5.376 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccccc1F)C3=O)CN(CCCc1ccccc1)CO2 41586910 OKYBYOHMFBLYII-IWIPYMOSSA-N 429.491 5.535 30 10 IKEE CC(C)c1ccc(/C=C\C=N\Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1 59502967 BVDRVHBTQDZKFX-FVNXUEMCSA-N 449.562 6.593 30 10 IKEE Cc1cccc(C)c1/N=C1/S[C@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1C1CC1 89686870 ZKQOYYSKIQLWCJ-MIILVSKZSA-N 443.572 5.579 30 10 IKEE O=C(/C=C\c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(N2CCOCC2)c(F)c1 96765575 FXBUEFUQARJESE-YVMONPNESA-N 446.305 6.125 30 10 IKEE C=CCOc1cccc(NC(=O)CNCCCCCCCCCCCCCCCC)c1 100055780 CLERAUGUQDOKJG-UHFFFAOYSA-N 430.677 7.261 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)c1cc(OC)c(OC)c(OC)c1 100061226 YVGQVLQXSFPFJQ-UHFFFAOYSA-N 435.649 6.924 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1sc2c(c1C#N)CCC2 100443865 DJIBXCQJBZNPTM-UHFFFAOYSA-N 433.687 6.623 30 10 IKEE CCCCCCCCCCCCn1c([C@H](C)NC(=O)c2ccc(C)cc2)nc2ccccc21 102113071 IWIKZCUNAWQFQE-DEOSSOPVSA-N 447.667 7.757 30 10 IKEE CCCCCCCCCCCC(=O)N(Cc1ccc(OS(=O)(=O)CC)cc1)C(C)C 102999490 NWIFMEOQQSVYJM-UHFFFAOYSA-N 439.662 6.073 30 10 IKEE COc1ccc(N/N=C/c2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1 169885346 RSILRSMAJWDHOM-ZVHZXABRSA-N 441.325 5.491 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccc(OC)cc2)cc1 169924962 BCLULTCTSMLSHS-VWLOTQADSA-N 441.527 5.657 30 10 IKEE CN1C(=S)N[C@@H](c2ccc(OCc3c(Cl)cccc3Cl)cc2)C2=C1CCCC2=O 169936811 RMPXIVQFFQZWEF-NRFANRHFSA-N 447.387 5.441 30 10 IKEE CCCCCCCCCOc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1OCC 169940002 KJURPRUWYACAJN-UHFFFAOYSA-N 449.422 8.065 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2OC)cc1 169942248 QREMOSWPIVNGJL-QHCPKHFHSA-N 431.463 5.180 30 10 IKEE CCCOc1ccc(/C=N\Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1Cl 169942820 NVCFWTDXQMBXKZ-FMCGGJTJSA-N 428.945 5.657 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccc(O)cc2)cc1 169960088 JGDYJHQQOHXMIK-DEOSSOPVSA-N 427.500 5.354 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccc(O)cc2)cc1C 169961660 HKXIICOKAHLPHI-JOCHJYFZSA-N 433.891 5.445 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccccn2)cc1 169991826 ODXJJKKBZGKKBH-QFIPXVFZSA-N 432.907 5.641 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2cccc(C)c2)c1 170035828 YGFGAOUUTHHVNO-XMMPIXPASA-N 427.500 5.485 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2ccccc2)c1 170036504 ZTKKAZHEWXIFQI-XMMPIXPASA-N 443.499 5.185 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2C2CCCCC2)c1 170039389 MJMMNURLHOAPOM-XMMPIXPASA-N 449.547 5.313 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2cccc(O)c2)ccc1F 170081110 WKBSOXXYCCTGPT-OAQYLSRUSA-N 437.854 5.276 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2cc(C(C)(C)C)ccc2C)=C(O)C(=O)N1C1CCCC1 170126129 FVSDNLHEZUWZCI-DEOSSOPVSA-N 447.575 5.822 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccncc1 170203477 FJUPOLYGSCNDPT-HSZRJFAPSA-N 426.516 5.470 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C2CCCC2)cc1 170214807 XGOFGCPRMDWCNN-RUZDIDTESA-N 441.527 5.759 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccccc2)c1 170223672 OAGIRZWOKAGIFH-VWLOTQADSA-N 441.527 5.874 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@@H]1c1ccc(Cl)cc1 170236587 BHIWKQYHZNLNEV-FQEVSTJZSA-N 448.346 5.771 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2C2CCCC2)cc1 170246067 RDDAECAPNGWSLN-DEOSSOPVSA-N 428.532 5.812 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2ccc(C)c(C)c2)o1 170301869 LRCXHNVKWMHOGJ-XDHUDOTRSA-N 443.499 5.311 30 10 IKEE C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCC)c1 170324328 JEAVXWWVNMTCGH-DEOSSOPVSA-N 431.532 5.119 30 10 IKEE COc1cc(/C=C2/SC(=Nc3c(C)cccc3C)N(c3ccccc3)C2=O)ccc1O 252634464 WOBPYWLILPGBNJ-XKEFNESHSA-N 430.529 5.826 30 10 IKEE CC(=NN1C(=O)CN(Cc2ccccc2)[C@H]1c1ccccc1Cl)c1ccc(Cl)cc1 254312538 MZWMSJYEFDKGQE-XMMPIXPASA-N 438.358 5.761 30 10 IKEE O=C(Nc1sc(NN=C/C=C/c2ccccc2)nc1-c1ccc(F)cc1)c1ccccc1 254378609 TYDQMROCRGEKDP-HOISZKDLSA-N 442.519 6.313 30 10 IKEE O=C1/C(=C\c2ccc(Cl)cc2)SC(=Nc2ccccc2)N1Cc1cccc(Cl)c1 254398902 NPFOFZARFDOCEY-OMYHDSEFSA-N 439.367 6.798 30 10 IKEE O=C(Nc1cccc(N=Cc2c(O)ccc3cc([N+](=O)[O-])ccc23)c1)c1ccc(F)cc1 254507892 QFEZWFRCHPQZST-UHFFFAOYSA-N 429.407 5.596 30 10 IKEE COc1cc(C=NNc2nc(-c3ccccc3)c(C)s2)ccc1OCc1ccc(F)cc1 254793733 WVGDDYBEUJOQAA-UHFFFAOYSA-N 447.535 6.291 30 10 IKEE CCCCOc1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526487985 BWSBVQKWNZEYPL-VWLOTQADSA-N 442.490 5.933 30 10 IKEE CCOc1cc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2cccc(C#N)c2)ccc1OC 526515214 IESOWDOMAGFHEH-QFIPXVFZSA-N 432.501 5.084 30 10 IKEE CCOc1ccc([C@@H]2C(c3cccc(OC)c3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526516671 QDCKTEDTQILHJK-XMMPIXPASA-N 426.472 5.023 30 10 IKEE CCCCOc1cccc(/C=N\n2c(C)nnc2SCc2c(Cl)cccc2Cl)c1 526815115 VVPJDJFOBXEFBD-CFRMEGHHSA-N 449.407 6.247 30 10 IKEE CCc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccc(Cl)c([N+](=O)[O-])c1 526817187 VYMRNRMMDISYJI-FBHDLOMBSA-N 436.324 5.230 30 10 IKEE C=CCCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(Br)cc1 586207861 MLICUKQMGJQTJY-UHFFFAOYSA-N 434.277 5.239 30 10 IKEE N#Cc1cccc(C(=O)Oc2ccc(NC(=O)N3CCC(Cc4ccccc4)CC3)cc2)c1 586519590 TXUTXXRUUGZHRW-UHFFFAOYSA-N 439.515 5.264 30 10 IKEE C=C1C[C@H]2CC(Nc3cc(Br)ccc3I)C[C@@H](C1)C2 697306446 HGAWHKCQARZPRR-ONXXMXGDSA-N 432.143 5.601 30 10 IKEE C[C@H](C[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1)c1ccccc1 698455641 FOXDYFHAUHCHGA-OXQOHEQNSA-N 429.358 6.277 30 10 IKEE CCC[C@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Br)c2)CC1 698496825 KKLTUZTXCGWOKT-HTAPYJJXSA-N 435.406 6.833 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@](C)(C#N)Cc1ccc(Br)cc1 698823655 HGBLTQGJWINSAT-FQEVSTJZSA-N 435.387 5.773 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 698943447 YAMKMZZUQPNFQT-HJPURHCSSA-N 433.524 5.106 30 10 IKEE Cc1sc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)cc1Br 710771013 YLIZLSGNEQIVRC-OAHLLOKOSA-N 441.778 6.479 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@]1(C#N)CCc2ccc(Br)cc21 710815688 DWXNHUKWMZNWNX-QFIPXVFZSA-N 427.342 5.551 30 10 IKEE C=CCC1([C@H](Cc2ccc(C)c(Br)c2)NCC)CN(C(=O)OC(C)(C)C)C1 722918376 NLNNXKXNTFLAMK-IBGZPJMESA-N 437.422 5.091 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C1 724033176 OYRQJUSUCRCLNM-ZHRRBRCNSA-N 435.590 5.215 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@H](CNC(=O)OC(C)(C)C)C1 724090166 PXAXLGVEKMPJCX-UQBPGWFLSA-N 443.588 5.714 30 10 IKEE COc1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc(C)cc2)cc1Cl 917611951 ADMGJXCTMFMOHM-UHFFFAOYSA-O 436.944 5.140 30 10 IKEE Cc1cc(C)cc(NC(=O)[C@@]23CC[C@@](C)(C(=NNc4ccc([N+](=O)[O-])cc4)C2=O)C3(C)C)c1 1772722147 CEACSYLVKJDHLK-LOSJGSFVSA-N 448.523 5.014 30 10 IKEE O=C1/C(=C/c2ccc(Br)o2)SC(=Nc2ccccn2)N1C1CCCCC1 1772732745 ZULHQBVKOFZLSM-FDXKLOFQSA-N 432.343 5.374 30 10 IKEE C/C(=C1/SC(=Nc2cccc(C(=O)O)c2)N(C2CCCCC2)C1=O)c1ccc(F)cc1 1772735593 JTTKFLIMCFNLLW-POLMPROESA-N 438.524 5.851 30 10 IKEE CCCCOc1ccc(/C=C2/SC(=Nc3ccc(O)cc3)N(CC)C2=O)cc1OC 1772763389 CAHFJWSGBWJQIH-QQAFOXPBSA-N 426.538 5.204 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)c1ccc2nc(C(C)C)[nH]c2c1 1861443545 CRMUZPWGRHRNPB-HSZRJFAPSA-N 440.632 5.548 30 10 IKEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 1861820355 JOUITZYESFGYMY-UHFFFAOYSA-N 425.957 5.014 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(Cl)cc2Cl)n(Cc2ccc(F)cc2)n1 1862331703 IXPATWXLHQLASJ-UHFFFAOYSA-N 444.337 5.859 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2C)cc1 1862389862 PKGTWNRLGNWDEV-AREMUKBSSA-N 439.555 6.116 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1F 1862441737 CCPZMBYWFYTCDK-QRQCRPRQSA-N 435.882 5.819 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCc2ccccc2)cc1 1862476381 JVYXYSSYHYYDRL-VWLOTQADSA-N 441.527 5.215 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2ccccc2Cl)cc1 1862476396 KHKMSAGXHOCEOG-HSZRJFAPSA-N 431.919 5.735 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862478860 SEXLWHOYRQQDJH-RUZDIDTESA-N 445.559 5.863 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 1862482400 QFEIGVOFIBQNPY-FQEVSTJZSA-N 448.346 5.043 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2cccc(F)c2)c1 1862488778 IEGCXAGBMJUIMH-DEOSSOPVSA-N 429.491 5.264 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccccc2Cl)c1 1862503343 WBFVAZNOCZWOPE-QHCPKHFHSA-N 449.909 5.874 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccc(O)c(O)c2)cc1 1862535811 KUNUXKHTQYWJPJ-XMMPIXPASA-N 447.531 5.129 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(C(C)(C)C)cc1 1862549671 UPONSUTZAXKDFB-XMMPIXPASA-N 431.576 5.850 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cccc2ccccc12 1862631193 LXTRSADTPFEYBD-XMMPIXPASA-N 443.499 5.337 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)cc1 1862664367 ZOGKRJKOQZDCHY-FMNCTDSISA-N 447.575 5.976 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCc2ccc(C)cc2)cc1 1862674067 RXIKYRXBLVJGGX-VWLOTQADSA-N 443.518 5.518 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc(C)c1 1862687359 JQXQRQTXFGFVLZ-XMMPIXPASA-N 435.564 5.942 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccc1Cl 1862712786 ZKGVCJZADROSMW-HSZRJFAPSA-N 433.935 6.118 30 10 IKEE CCCOc1ccc(C2=C(Nc3ccc(C)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862976615 BQTOJGMSBPNBGW-UHFFFAOYSA-N 437.499 5.052 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(F)c(C)c3)C2=O)c1 1863084494 QCFGZLMFKYVWMX-UHFFFAOYSA-N 425.463 5.019 30 10 IKEE C=CCN1C(=O)C(Nc2cc(C)c(C)cc2Br)=C(c2ccccc2Cl)C1=O 1863449274 XSFKCYBWVYMLKM-UHFFFAOYSA-N 445.744 5.097 30 10 IKEE Cn1nc(-c2ccccc2F)c(C#N)c1NC(=O)[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21 1865878069 JOQYPWOYVQHCOU-INIZCTEOSA-N 447.901 5.291 30 10 IKEE CCCCCCOc1ccc2[nH]cc(C(=O)Nc3sc4c(c3C#N)CCC4)c(=O)c2c1 1866443839 AHJLIDRGXPXVKT-UHFFFAOYSA-N 435.549 5.161 30 10 IKEE CCCC[C@@H](NC(=O)C[C@@H](c1ccc(Cl)cc1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866764634 WFWUMSWXLKNZSV-DHIUTWEWSA-N 439.987 5.655 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(OC)c(F)c2)cn1CCCCCC 1870383421 JHDALHZTVIDQEN-UHFFFAOYSA-N 442.575 5.329 30 10 IKEE C=CCn1cc(OCc2ccccc2C)c(=O)cc1CNc1ccc(OCCCC)cc1 1871079555 OKBLEUXSMPSYBP-UHFFFAOYSA-N 432.564 5.713 30 10 IKEE C=CCn1cc(OCCCCOc2ccccc2)c(=O)cc1CNc1ccc2cc[nH]c2c1 1871223769 HBQSWNFICHBWLP-UHFFFAOYSA-N 443.547 5.366 30 10 IKEE CC[C@H](C)N1COc2c(cc3c(c2C)O/C(=C\c2cn(C)c4ccc(OC)cc24)C3=O)C1 1871353344 MJYUZCFFUMOZLK-MBTNSHOVSA-N 432.520 5.062 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OC(=O)C(Cl)(Cl)Cl)cc(C)c2C1=O 1871366032 OSBUDEHCSHIPQP-SXGWCWSVSA-N 441.694 5.286 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc(OC(=O)/C=C/c4ccc(C)cc4)c3C)C2=O)cc1 1871367036 VGWKZHXULLACPO-FQIHTKLKSA-N 440.495 5.937 30 10 IKEE Cc1cc(O)c(CN(C)C2CCCCC2)c2c1C(=O)/C(=C/c1c(Cl)cccc1Cl)O2 1871393483 PISGOMXSONNHCX-MTJSOVHGSA-N 446.374 6.388 30 10 IKEE COc1ccccc1/C=C1\Oc2c(CN3CCCc4ccccc43)c(O)cc(C)c2C1=O 1871395170 JASVFVJXCGLKES-IWIPYMOSSA-N 427.500 5.278 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccc(F)cc4)c3C)C2=O)c1 1871400591 FXGQLVZDSRWUFR-PGECNJAHSA-N 431.463 5.465 30 10 IKEE COC(=O)c1ccc(/C=C2\Oc3cc(OCCCOc4ccc(C)cc4)ccc3C2=O)cc1 1871405933 NHLGJLUKHGULES-XYGWBWBKSA-N 444.483 5.246 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccccc2F)C3=O)cc1 1871409194 ZHAPMBZSFNSOGV-PGECNJAHSA-N 431.463 5.465 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccccc1F)C2=O 1871430660 MJJZZIYKJGQBHC-QRAWFLTRSA-N 445.490 5.773 30 10 IKEE CCOC(=O)c1ccc(COc2ccc3c(c2C)O/C(=C\c2ccc(N(C)C)cc2)C3=O)o1 1871439251 PKGSCGOBQNFTJF-UCQKPKSFSA-N 447.487 5.026 30 10 IKEE CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871448421 KXMIFAPBDZDIKM-SUVVMJBMSA-N 445.471 5.121 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@H](C)CC)S(=O)(=O)CCC 1871854790 BWKGIUYAOVETPJ-AUSIDOKSSA-N 444.597 5.060 30 10 IKEE C=CCN([C@@H](C(=O)Nc1cc(C)cc(C)c1)[C@@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1871998716 VGCQSWZIZVIISH-GBXCKJPGSA-N 442.625 5.150 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)CCCC 1872458421 OTKTXVQOWPYSQA-HXUWFJFHSA-N 429.026 5.154 30 10 IKEE N#C[C@@H](C(=O)c1ccc(Cl)c(Cl)c1)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872760501 QEHVBDCMCCYKAB-KRWDZBQOSA-N 427.356 6.486 30 10 IKEE CCCCCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(OCC)cc3)cs2)cc1 1872768552 WKOGLSBTEZPMQV-HSZRJFAPSA-N 448.588 6.658 30 10 IKEE COc1ccc(C)cc1-c1csc([C@H](C#N)C(=O)c2cccc(Oc3ccccc3)c2)n1 1872771387 SWOXCZZHOXWIRD-JOCHJYFZSA-N 440.524 6.410 30 10 IKEE N#C[C@@H](C(=O)c1ccnc(Cl)c1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872779513 LGEIVKUZFBLADQ-IBGZPJMESA-N 431.904 6.141 30 10 IKEE CCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 1872779971 WFZKMESUIDTGHZ-HSZRJFAPSA-N 440.524 6.491 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)[C@H](C#N)c1nc(-c2c(C)cc(C)cc2C)cs1 1872786102 DLQFFPPTKLSFQG-AWEZNQCLSA-N 445.371 6.541 30 10 IKEE Sc1nnc(Cc2ccccc2)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1873504927 SFHMTRHLPMCJQK-MFKUBSTISA-N 434.952 5.272 30 10 IKEE C=CCOc1ccccc1OCc1nc2ccccc2n1CC(=O)Nc1cc(C)ccc1C 1873518868 PYVVVGGOIGBAGG-UHFFFAOYSA-N 441.531 5.436 30 10 IKEE C=C(C)CSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1cccc(O)c1 1874206131 LWGPHFWLRQQIAF-AUEPDCJTSA-N 449.363 5.420 30 10 IKEE C=CCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1cc(Cl)ccc1O 1874255871 ITNCMPLFQULSBM-WYMPLXKRSA-N 442.972 5.302 30 10 IKEE Clc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2cccs2)cc1 1874342259 HEEJBYJCXFTGBC-LFVJCYFKSA-N 439.009 5.801 30 10 IKEE Fc1cccc(/C=N/n2c(SCCc3ccccc3)nnc2-c2ccccc2Cl)c1 1874365736 ROUOKNSGLSEDOK-WGOQTCKBSA-N 436.943 5.955 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc[nH]1 1874399278 LGDOMHHJUIPNBG-WKTMJKCCSA-N 437.572 6.086 30 10 IKEE Fc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCc2ccccc2F)c(F)c1 1874412260 KVBMGYJYEVRXHA-BRJLIKDPSA-N 444.507 5.522 30 10 IKEE Cn1cc(/C=N/n2c(SCCc3ccccc3)nnc2-c2cccs2)c2ccccc21 1874422980 OPXCRFRYJDSABJ-PCLIKHOPSA-N 443.601 5.715 30 10 IKEE COc1cccc(/C=N/n2c(SCc3cccc(C)c3)nnc2-c2ccccc2)c1O 1874426883 FRQICJXLFHOHQL-MFKUBSTISA-N 430.533 5.142 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C2CCCC2)c1 1874456957 SIHKOALLAKKQOU-DHRITJCHSA-N 445.419 6.725 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2-c2ccco2)cc1 1874467722 YIZKHKGLIFQWGM-AFUMVMLFSA-N 436.968 6.489 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1cccc2ccccc12 1874505392 UZOJTYQWIMEMSG-CVKSISIWSA-N 447.539 5.136 30 10 IKEE COc1cc(/C=N/n2cnnc2SCc2ccccc2C)ccc1OCc1ccccc1 1874534644 SUDBNBRFXVENPZ-JFLMPSFJSA-N 444.560 5.349 30 10 IKEE CCCCOc1ccc(/C=N/n2c(S)nnc2COc2cc(C)c(Cl)c(C)c2)cc1 1874568681 LNUKLLWWBNJABF-ZMOGYAJESA-N 444.988 5.477 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1ccccc1F)c1cccc(Br)c1 1874575772 GCFQYTLICFBKBN-CSKARUKUSA-N 445.715 6.717 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2c(C)cccc2C)cc1 1874577916 MGSIKMSLBAOUQZ-SAPNQHFASA-N 429.516 5.616 30 10 IKEE COC(=O)c1ccc(COc2c(/C=C/C(=O)c3ccc(F)cc3)cc(Cl)cc2OC)o1 1874583724 CRCYVYYEVDZGBJ-WEVVVXLNSA-N 444.842 5.342 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cc(Cl)ccc1OCC(=O)OCC(C)C 1874585721 BUNDSJSBTLEKPC-SOFGYWHQSA-N 430.928 5.440 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OCC(=O)Nc1ccc(C)cc1 1874598935 MVKINZHHWTVNRB-MDWZMJQESA-N 429.516 5.534 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)c(Br)c1OCCO 1874600185 YKTVJAMLWQJTJN-JXMROGBWSA-N 447.369 5.331 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(OC)c1OCc1ccccc1 1874603557 SGGPTHIFOWERNG-SAPNQHFASA-N 434.535 7.052 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(OC)cc2)cc1Cl 1874609296 JLZCIWSKQPVPEL-WUXMJOGZSA-N 429.944 5.272 30 10 IKEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1Br 1874623880 AJBDWKWSFFOCDZ-VZUCSPMQSA-N 445.353 5.801 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)cc(Br)c1OCC 1874635996 DSSGOEWXZYWGPZ-SOFGYWHQSA-N 439.733 5.805 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)ccc1OCc1ccccc1 1874637115 JRNRKKQILGGWSY-CSKARUKUSA-N 443.326 6.486 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1cccc(/C=C/C(=O)c2cccc(Cl)c2)c1 1874699137 GLDXORCCUSRDJK-UKTHLTGXSA-N 425.311 6.428 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OC(=O)COc2ccc(C)c(C)c2)c1 1874704226 CXQFUWZSYXVECD-ZRDIBKRKSA-N 430.500 5.501 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)C23CC4CC(CC(C4)C2)C3)c1)c1ccc2c(c1)OCO2 1874707790 XALNRXRYXIZZSB-GQCTYLIASA-N 430.500 5.433 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1ccccc1C 1875098209 XXBANBBJXAPFMH-FOWTUZBSSA-N 440.539 6.388 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Br)cc2)cc(OC)c1OC(=O)C1CCC1 1875109864 IRCUMVCUYUFJKU-IZZDOVSWSA-N 445.309 5.068 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OC(=O)c1ccc(OC)cc1 1875113139 UKNHKMPRRLGXSM-PJQLUOCWSA-N 432.472 5.218 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccco2)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 1875135467 REVLFPMMDVJSBP-XVNBXDOJSA-N 432.215 5.610 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC3CCCCC3)c(Cl)c2)cc1 1875137384 JPVKTAWANBRPBB-RIYZIHGNSA-N 440.967 6.901 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)c3cccs3)c(Cl)c2)c1 1875145136 BEYGZTNFQCYEIA-VMPITWQZSA-N 428.893 5.534 30 10 IKEE Cc1ccsc1C(=O)Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1Cl 1875154215 UGPUJNUSAVIOQB-PKNBQFBNSA-N 432.928 6.978 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)cc2)c(C)c1 1875168716 REFJKBHFDRVWTC-JLHYYAGUSA-N 442.555 6.418 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc(Cl)c1OC(=O)C(C)C 1875171216 LNTLQLRJNGDMDF-CMDGGOBGSA-N 430.928 5.822 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)c1cncc(C)c1 1875175413 NZVZOPYJXQXEGW-VQHVLOKHSA-N 431.488 5.139 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc(OC)c1OC(=O)C1CC1 1875185312 QYPZDBGZORTBRY-GXDHUFHOSA-N 432.560 6.241 30 10 IKEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)Nc2ccc(Cl)cc2Cl)CC1 1889881274 WMWCBYRDRSEESL-UHFFFAOYSA-N 447.347 5.437 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CC(C#N)(N(C(=O)OC(C)(C)C)C1CCCCC1)C2 1922285598 QCVJBQVVZRQVSU-PMACEKPBSA-N 447.620 5.771 30 10 IKEE CC1(C)CC[C@H](Nc2ccc(Br)c(C#N)c2)[C@H](CNC(=O)OC(C)(C)C)C1 1927102014 KVOAIKWXMCGUKW-YJBOKZPZSA-N 436.394 5.452 30 10 IKEE CCCCCCCCC[C@@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NC 1947484447 KNIIVZLZJGWFBD-BJKOFHAPSA-N 434.665 6.215 30 10 IKEE CC(C)(C)OC(=O)N(CC1CC1)C1(C#N)CCC2(CCCN2C(=O)OC(C)(C)C)CC1 2002572814 QZDBNGUISHSRIG-UHFFFAOYSA-N 433.593 5.240 30 10 IKEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2020788150 DGFTZBQIENDWSM-IRXDYDNUSA-N 443.535 5.093 30 10 IKEE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(C)cc1 2032559742 AKJKGCKHBMWJGM-DFBJGRDBSA-N 443.588 5.666 30 10 IKEE CCC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1OC 2033623464 LFDWKWDLQZOLAK-IEBWSBKVSA-N 447.576 5.270 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1(C)C 2053042340 APWUDCNZUFMFCD-FYSMJZIKSA-N 447.551 5.400 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@H](C#N)[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2073119204 QNYVGZDFJAVXFU-UYAOXDASSA-N 449.636 5.874 30 10 IKEE CC(C)c1nn(Cc2ccc(C(F)(F)F)c(F)c2)c(C(F)(F)F)c1Br 2079041317 XNNOKEUHEROKKQ-UHFFFAOYSA-N 433.165 5.994 30 10 IKEE Cc1ccc([C@@H](n2nc(C3CC3)c(C#N)c2I)C2(C)CC2)c(F)c1 2079061643 ZNNBRQXGDPYWEI-QGZVFWFLSA-N 435.284 5.074 30 10 IKEE CC[C@H](c1ccc(C)cc1F)n1nc(C(C)(C)C)c(C#N)c1I 2079101146 BIEPSEWCAPOBFH-OAHLLOKOSA-N 425.289 5.104 30 10 IKEE C[C@@H](c1ccc(C2CCC2)cc1)n1nc(C(C)(C)C)c(C#N)c1I 2079980064 YOZUEDKUUHBDJS-ZDUSSCGKSA-N 433.337 5.534 30 10 IKEE Cc1cc(C)c([C@@H](C)n2nc(C3CCC3)c(C=NO)c2I)c(C)c1 2080041957 DRPLFYFMTOAVEF-CQSZACIVSA-N 437.325 5.098 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)C1(C#N)CCC(C(F)F)CC1 2093098667 PODJZHKVSRMKSH-UHFFFAOYSA-N 429.305 5.908 30 10 IKEE C=CCN(CC[C@H](NCC)c1c(C)ccc(Br)c1F)C(=O)OC(C)(C)C 2099288786 VFVXGIYYCRFBGQ-INIZCTEOSA-N 429.374 5.360 30 10 IKEE CCCCCCCCCC[S@@](=O)C(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O 2195281411 BGCJDJAGLPHJMA-PRAQEBQASA-N 439.618 5.034 30 10 IKEE N#Cc1cc(F)c(NC[C@@]23CCC[C@@H]2CCN3Cc2ccccc2)cc1Br 2197382555 PDQANSBCJGCIJZ-GCJKJVERSA-N 428.349 5.317 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCCC)c2c(C)ccc(Br)c2F)C1 2197753932 OKAVDIWIDOKHQY-GOSISDBHSA-N 441.385 5.551 30 10 IKEE CC(C)N[C@](C#N)(CN(Cc1ccccc1)CC1CCCCC1)C1(Br)CC1 2206641668 YLGGNFGYDUHNKC-HSZRJFAPSA-N 432.450 5.257 30 10 IKEE C#C[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2243919634 WHVCFNRTZIYFLH-RXFWQSSRSA-N 446.591 5.104 30 10 IKEE C=CCCCCCCC[C@@H](NC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2256692424 ROZGUMGYXYWHBO-XMMPIXPASA-N 444.660 5.945 30 10 IKEE CC1(C)OB(c2ccc3nc(N(Cc4ccccc4)CC4CCC4)sc3c2)OC1(C)C 2264348374 AEDCCOXXLPWCHW-UHFFFAOYSA-N 434.414 5.402 30 10 IKEE C=CC[C@@]1(COc2cc(C)c(Br)cn2)CCCCN1C(=O)OC(C)(C)C 2272234001 JYECWKMAYBTPJF-FQEVSTJZSA-N 425.367 5.267 30 10 IKEE CCCCN1C(=O)C(=C2Sc3ccccc3N2CC)SC1=Nc1ccc(F)cc1 2295178752 WFTROEHQCDJWQO-UHFFFAOYSA-N 427.570 5.990 30 10 IKEE CCC(=O)C=Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 2296515072 LQNQVXFWGPJKCP-UHFFFAOYSA-N 444.152 6.336 30 10 IKEE C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=NO)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 2297475074 IBHLVHLIYYDTRV-BHMAJAPKSA-N 439.728 8.494 30 10 IKEE CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2299178403 ZEDKNLLGRDWCND-OALUTQOASA-N 435.609 5.484 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2302796516 RZZWDAGIERRBIC-QRVBRYPASA-N 433.524 5.153 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@]2(C)CCCCN2C(=O)OC(C)(C)C)cc1 2318947155 RCVPRHMENPAMRY-CPJSRVTESA-N 443.588 5.808 30 10 IKEE COc1ccc(C=C2Oc3cc(OCC=Cc4ccccc4)cc(C)c3C2=O)c(OC)c1 2321813857 MNKMLSGOQATWKA-UHFFFAOYSA-N 428.484 5.721 30 10 IKEE Cc1ccc(Cc2nnc(S)n2N=Cc2ccc(OCc3cccc(Cl)c3)cc2)cc1 2321968480 PUJIFMUKMMKEEB-UHFFFAOYSA-N 448.979 5.581 30 10 IKEE COc1ccc([C@@H](C)N2COc3cc(C)c4c(c3C2)OC(=Cc2sccc2C)C4=O)cc1 2322248838 QMCNDPUUQMVAML-QGZVFWFLSA-N 447.556 5.903 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)c4cc5cccc(OC)c5o4)ccc3C2=O)cc1 2322860162 YBMMSNCHJCPICU-UHFFFAOYSA-N 440.451 5.839 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2cccc(C)c2)c(OCC)c1 2322922555 SQQJOOFNUFKQPJ-UHFFFAOYSA-N 446.543 6.276 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2c(C)cc(C)cc2C)c1OCc1ccccc1C 2322948842 CYWYOFDSRWSEOP-UHFFFAOYSA-N 434.963 7.057 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC)c2OCc2ccccc2Cl)cc1C 2322998995 HXPBJEJSBOOXJO-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1OCc1ccc(F)cc1 2323081403 GFDKRDPXZZQSKW-UHFFFAOYSA-N 441.296 6.072 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)cc1 2323134667 HXJRVCNSKJAICZ-UHFFFAOYSA-N 433.460 5.477 30 10 IKEE CCc1ccccc1NC(=O)COc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC 2323138632 XTBYERQFDWXPAU-UHFFFAOYSA-N 443.543 5.788 30 10 IKEE CCCOC(=O)COc1c(Cl)cc(C=CC(=O)c2ccc(Cl)cc2)cc1OCC 2323791368 XRPKXGBALLXOIL-UHFFFAOYSA-N 437.319 5.620 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OCc1nc(O)c2ccccc2n1 2323813705 UPWROMKTYZKLJE-UHFFFAOYSA-N 426.472 5.209 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OCc1nc(O)c2ccccc2n1 2323872472 BWSSMBBNFSHNGQ-UHFFFAOYSA-N 440.499 5.436 30 10 IKEE CCn1cc(C=C2Oc3cc(OCCCOc4ccccc4)ccc3C2=O)c2ccccc21 2324234717 DGYSXNVHNASRCJ-UHFFFAOYSA-N 439.511 6.125 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)cc2)c(C)c1 2324332084 LQLJTTQVFATQQM-UHFFFAOYSA-N 441.571 6.451 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OCC(=O)Nc2ccccc2C)cc1 2324358571 FARLSLRXEKMMOF-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)cc1C 2324447349 QXGNUAFSGHCLPM-UHFFFAOYSA-N 437.898 6.010 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)c2)c(C)c1 2325736282 UNJHPYHBOBOYDD-QFIPXVFZSA-N 442.555 6.696 30 10 IKEE COc1ccc(CCC(=O)Oc2cccc(C=CC(=O)c3c(C)cc(C)cc3C)c2)cc1 2325764824 CLGHLZSKTBYKGA-UHFFFAOYSA-N 428.528 6.055 30 10 IKEE C=CCSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1ccc(CC)cc1 2325952317 OIFBITOOTXCOTL-UHFFFAOYSA-N 441.398 5.354 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1cccc(F)c1 2326006576 IMHKITWQCMQLSF-UHFFFAOYSA-N 444.963 5.633 30 10 IKEE Fc1ccccc1CSc1nncn1N=Cc1ccc(OCCCc2ccccc2)cc1 2326256471 KTXZORSWOLRLKF-UHFFFAOYSA-N 446.551 5.603 30 10 IKEE CCOc1c(Cl)cc(C=Nn2cnnc2SCc2ccccc2F)cc1Cl 2326258276 BNFWXKKAQXTTLC-UHFFFAOYSA-N 425.316 5.297 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(OC(C)C)cc1 2326473533 JWZHMEBHZDNMJB-UHFFFAOYSA-N 428.989 5.846 30 10 IKEE CCOc1cc(C=Nn2c(C)nnc2SCc2ccccc2Cl)cc(Cl)c1O 2326545831 SJALULHYIMMHAP-UHFFFAOYSA-N 437.352 5.172 30 10 IKEE CCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccc(OC)c(OC(C)C)c1 2326592251 HIWGLEFZMBUFID-UHFFFAOYSA-N 438.597 5.428 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1c(Cl)cccc1Cl 2326683349 BFICSPCTQJPLJD-UHFFFAOYSA-N 444.391 5.974 30 10 IKEE COc1cc(C=Nn2c(Cc3cccc4ccccc34)nnc2SC)ccc1OC(C)C 2327702818 QIONKVFVBVNZRH-UHFFFAOYSA-N 446.576 5.422 30 10 IKEE CCCCC1CCC(c2nnc(SCc3cccc(C)c3)n2N=Cc2ccccc2)CC1 2328133568 STASHJAKIKMKPC-UHFFFAOYSA-N 446.664 7.225 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2N=Cc2cccc3ccccc23)CC1 2328187000 DUOCDYKJCFLTKN-UHFFFAOYSA-N 434.653 7.280 30 10 IKEE CCCCC1CCC(c2nnc(SCCCO)n2N=Cc2cc(C)ccc2O)CC1 2328195056 KBFMJCBMTXNRRU-UHFFFAOYSA-N 430.618 5.113 30 10 IKEE Cc1cccc(CSc2nnc(-c3cccs3)n2N=Cc2ccccc2OC(C)C)c1 2330549525 MQBJCNWQIWANKJ-UHFFFAOYSA-N 448.617 6.277 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccccc3)n2N=Cc2cccc([N+](=O)[O-])c2)c1 2330672039 JSGIECHTOOJRFC-UHFFFAOYSA-N 443.532 5.645 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)CCCC4)cc2)cc1 2330678604 YKTBMTAWVQTKNS-UHFFFAOYSA-N 438.567 6.978 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3ccccc3C)c(OC)c2)cc1 2330736960 IOUFGCIPLFXTCQ-UHFFFAOYSA-N 434.919 6.335 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(CC)cc2)cc(OC)c1OC(=O)c1ccccn1 2330767826 OCOHXFLIMCRZRN-UHFFFAOYSA-N 427.500 5.496 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)ccc1OC(=O)c1ccccc1OC 2330795005 MYVRUBUTWAKLOC-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(Cl)c3)c(OC)c2)cc1 2330850942 FYEOYJUHCKGNME-UHFFFAOYSA-N 448.946 6.807 30 10 IKEE C=CCSc1nnc([C@H]2CCCO2)n1N=Cc1ccc(OCCCCC)c(OCC)c1 2330974678 FZFNAICBOWXOEE-HXUWFJFHSA-N 444.601 5.258 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3ccccc3F)nnc2-c2ccco2)c1 2331208370 ZVVCKQSYFBXCOA-UHFFFAOYSA-N 436.512 5.641 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)Cc1cccs1 2331333883 LDGYZHRYLALOLM-UHFFFAOYSA-N 440.492 5.257 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(SCC(=O)Nc3ccccc3)nnc2C(C)(C)C)cc1 2331362804 SLRNMHWREVESSH-UHFFFAOYSA-N 449.624 5.486 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(Br)cc2)cc1)c1ccc(F)c(F)c1 2331555216 NLOCTRXZVUFESL-UHFFFAOYSA-N 443.243 5.843 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2)c(Br)c1)c1ccc(F)c(F)c1 2331558955 XBUVHZHRDOAOIH-UHFFFAOYSA-N 443.243 5.843 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OC(=O)CCc1ccccc1C 2331571238 HBMLVSXKRMHMGG-UHFFFAOYSA-N 436.454 5.716 30 10 IKEE COc1ccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2)cc1 2331704685 UREYCMSSVXXYQK-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2ccccc2Cl)cc1 2331872703 IZQVIFBPBSBMNH-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE CC1(C)OB(/C=C/c2ccc(N[C@@H]3CCCCN(Cc4ccccc4)C3)nc2)OC1(C)C 2339537068 TTZDOUJBHKOGKT-POICXBNUSA-N 433.405 5.193 30 10 IKEE CSc1cc(Nc2ccc(I)cc2Br)ccc1C#N 2353841327 MLJFNVKTGRCPMM-UHFFFAOYSA-N 445.123 5.391 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1c(Cl)ccc(Cl)c1Cl 2364580060 KVVNWYFOJFCIJE-INIZCTEOSA-N 425.743 6.962 30 10 IKEE C=CCC1(C(=O)c2c(C)c(C)c(Br)c(C)c2C)CN(C(=O)OC(C)(C)C)C1 2375328976 UCIYXWLODARGAL-UHFFFAOYSA-N 436.390 5.679 30 10 IKEE COc1cc(/C=C2/S/C(=N/c3ccccc3)N(c3ccccc3)C2=O)cc(OC)c1OC 3068855 VXKPTNQQVWLWBT-SFFUPWIKSA-N 446.528 5.521 30 10 IKEE C=C(C)COc1ccc(NC(=O)CCCCC(=O)Nc2ccc(OCC(=C)C)cc2)cc1 9814726 ZLZCVSDZSFTKSP-UHFFFAOYSA-N 436.552 5.734 30 10 IKEE N#Cc1cnn(-c2ccc3ccccc3n2)c1NC(=O)c1cccc(Oc2ccccc2)c1 12238803 CDUMGQPCBDKIDO-UHFFFAOYSA-N 431.455 5.337 30 10 IKEE Cc1cc(C)nc(N/C(=N/C(=O)Nc2ccc(Cl)c(Cl)c2)NCc2cccs2)n1 14157260 UOTMVZRCGZJQBP-UHFFFAOYSA-N 449.367 5.252 30 10 IKEE Cc1cccc(C)c1NC(=S)N/N=C1\C[C@H]([C@H](C)c2cccnc2)Oc2ccc(O)cc21 20683607 KHZHNLYHGABBRR-FPVRUKQKSA-N 446.576 5.050 30 10 IKEE O=C(/C=C\c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccc(-c2ccccc2)cc1 34955637 OYGNOBGOUXMUMD-WQRHYEAKSA-N 449.462 6.377 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccc(OCCC)cc1 40095917 ZNINCBFQFQMZPT-MZNJEOGPSA-N 449.547 5.177 30 10 IKEE Cc1cc(NS(=O)(=O)c2ccc(/N=C/c3cccc(OCc4ccccc4)c3)cc2)no1 59466984 RHNXQBKZDJVTCT-PCLIKHOPSA-N 447.516 5.113 30 10 IKEE COc1cccc(/C=N/c2ccc3nc(SCc4ccc(Cl)cc4)sc3c2)c1O 59502550 IWHMSIUPZLAGOX-WYMPLXKRSA-N 440.977 6.707 30 10 IKEE COc1ccc(-c2nc(SC)nc(N(Cc3ccccc3)C(C)C)c2C#N)cc1OC 62046270 JSLOMDIQHAVDER-UHFFFAOYSA-N 434.565 5.169 30 10 IKEE COc1ccc(-c2c(C)sc3[nH]c(SCc4cccc(C#N)c4)nc(=O)c23)cc1C 96534670 WXKYSYHDBLNNNI-UHFFFAOYSA-N 433.558 5.441 30 10 IKEE CCCCCCCCCCn1c(CCCNC(=O)/C=C/c2ccccc2)nc2ccccc21 101322782 YWFPOOXMPSDQLO-QURGRASLSA-N 445.651 6.939 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccc(C)cc2C)cc1 169925707 WZXYRBZBYDDZMN-RUZDIDTESA-N 441.527 5.712 30 10 IKEE Cc1ccc(-c2csc(N/N=C\c3ccc(OCc4ccccc4)c(Cl)c3)n2)cc1C 169940189 XFFWEMRTMWTRHZ-VYYCAZPPSA-N 447.991 7.105 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2cccs2)ccc1F 169983918 ZNRHKDBGTUTOTA-IBGZPJMESA-N 429.419 5.257 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@H]1c1cccs1 169984447 VOHQNGBLACTGNK-JOCHJYFZSA-N 437.948 5.812 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2C2CCCCC2)c1 170039075 CLXLKBSWVCNRPX-HSZRJFAPSA-N 435.520 5.005 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2cccc(O)c2)c1 170079425 QHSUMHULEKXMEZ-VWLOTQADSA-N 441.527 5.915 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1cccs1)c1ccc2c(c1)CCCC2 170155747 FJFLSVDSFPYXII-QFIPXVFZSA-N 433.504 5.549 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2cccs2)c(OC)c1 170158353 IXJUDVMXOUEGEN-QFIPXVFZSA-N 449.528 5.165 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4)[C@@H]3c3cccs3)oc12 170159377 XQMTZTHQZBAKEE-HXUWFJFHSA-N 431.469 5.286 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccs2)cc1C 170161233 JMHADQSUBGGSBB-QFIPXVFZSA-N 444.512 5.110 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)cc(OC)c3o2)[C@H]1c1cccs1 170165434 OCLUMOYXBHBDKL-QGZVFWFLSA-N 431.897 5.145 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@H]1c1ccc(Cl)cc1 170236760 VOTQNSWUQCFUTN-HXUWFJFHSA-N 448.346 5.771 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(Cl)cc1 170237080 NXHFLCGCNQVQOP-NRFANRHFSA-N 425.912 5.178 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2cccc(O)c2)c1 170258507 FKJJKBZGZZMTIA-RUZDIDTESA-N 435.479 5.637 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccc(C)o2)c(OC)c1 170301685 NHHYCMSEVLDZDA-HSZRJFAPSA-N 447.487 5.005 30 10 IKEE CCCCCCCCCC[C@@H](NC)c1cc(Br)sc1Br 232942707 JWSQJQQNMDRMRX-CQSZACIVSA-N 425.274 7.064 30 10 IKEE CCc1ccc(N=C2S/C(=C\c3sccc3C)C(=O)N2c2ccc(CC)cc2)cc1 252623233 OMVXEYJMJIXGKS-ZYITZIQLSA-N 432.614 6.990 30 10 IKEE Oc1ccc2ccccc2c1C=Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2 254291516 ZQZQYLXDMVCLNX-UHFFFAOYSA-N 440.593 7.513 30 10 IKEE CCSc1nnc(C(F)F)n1N=Cc1ccc(COc2c(Cl)cccc2Cl)o1 254429287 DVBGUJIQDKOKGR-UHFFFAOYSA-N 447.294 5.689 30 10 IKEE COc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)C2=Nc1ccc(Oc2ccccc2)cc1 254758803 HUYXGJWAGCRFOS-QGZVFWFLSA-N 426.516 6.241 30 10 IKEE O=c1c2c3nc4ccccc4nc3n(N=Cc3ccccc3)c2ncn1CCC1=CCCCC1 254837659 KJFWCRIYVVBGFW-UHFFFAOYSA-N 448.530 5.067 30 10 IKEE CCCCCCCCCC[C@@H](N)c1ccc(Br)cc1NC(=O)OC(C)(C)C 406419567 YKIRWOJYAKFIBV-LJQANCHMSA-N 441.454 7.327 30 10 IKEE C=CCN(C[C@H](NCCC)c1c(Cl)cccc1Br)C(=O)OC(C)(C)C 407150879 HZSCJIOIUXIYLP-INIZCTEOSA-N 431.802 5.566 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2cccs2)[C@H]1c1cccc(Cl)c1Cl 526606896 PSTRFDISJZZEGK-LJQANCHMSA-N 427.312 5.984 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1ccc(Cl)c([N+](=O)[O-])c1 526808426 ISARORLJEDRXCB-UUYOSTAYSA-N 429.933 5.275 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1cccc(C)c1 526824333 WHEMARZUOPSMJX-CFRMEGHHSA-N 433.408 6.410 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)NC2CCN(C(=O)Nc3ccc(C)c(C)c3)CC2)c1 585859828 MABKJRMDBMOSLK-UHFFFAOYSA-N 448.611 5.567 30 10 IKEE COCc1ccccc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 698457030 OYEBDTVVBJCPIJ-IBGZPJMESA-N 431.330 5.602 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@](C)(C#N)CCc1ccccc1 698481782 KGKMFPLJYGCVLN-JOCHJYFZSA-N 429.358 6.106 30 10 IKEE O=C(Oc1ccc(C=NNc2nc3ccccc3[nH]2)cc1)c1ccc(Cl)cc1Cl 725395371 GDGYJVGDIYATGK-UHFFFAOYSA-N 425.275 5.535 30 10 IKEE C[C@H]1C[C@H](C)CCN1c1ccc([N+](=O)[O-])cc1C=Nc1ccc2c(c1)oc1ccccc12 1083999038 MYJMTEJTKDRHMF-MSOLQXFVSA-N 427.504 6.870 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=Nc1ccccn1 1772732091 SZGGSKNLGZDPKZ-ZJRBDENDSA-N 449.963 5.938 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=Nc1cccnc1 1772732354 WFDKSJKKGDRRQQ-NAAAPUFRSA-N 444.343 6.272 30 10 IKEE Cc1csc(N=C2S/C(=C\c3ccc(Cl)cc3Cl)C(=O)N2c2ccccc2)n1 1772737820 MAAJMTSMOHWQGI-ALRRYEELSA-N 446.384 6.567 30 10 IKEE CCCCCCCCCCNc1cc(N2CCC[C@H](C)C2)nc(-c2ccc(OC)cc2)n1 1859792233 ADQUFMVDLGKZAU-QFIPXVFZSA-N 438.660 6.941 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc2nc(-c3cccc(OC(C)C)c3)[nH]c2c1 1861874529 WKYNAAYFZOKHLY-UHFFFAOYSA-N 435.612 6.888 30 10 IKEE N#Cc1cccc(NC(=O)c2cc(CCc3ccccc3)n(Cc3cccc(Cl)c3)n2)c1 1862326118 NEGSCGOERLHJGR-UHFFFAOYSA-N 440.934 5.494 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C[C@H]2CCCO2)c1 1862379722 JDKPCJAYHDPELW-OXQOHEQNSA-N 446.330 5.059 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2ccccc2)cc1C 1862400372 CEFLWESVYUGVTB-DEOSSOPVSA-N 427.500 5.091 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccc(O)c1 1862490612 ZPFDLVLUPBOHET-DEOSSOPVSA-N 435.564 5.948 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2Cc2cccnc2)cc1 1862543741 NRMIAGSIGIONRK-VWLOTQADSA-N 438.527 5.047 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CC(C)C)c1 1862546795 GBTYZGFHGJLLRB-XMMPIXPASA-N 433.548 5.198 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2ccccc2F)cc1 1862555557 FWTZTSPLBZRRSF-UPCLLVRISA-N 444.506 5.310 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C(C)(C)C)cc3)[C@@H]2c2ccccc2)cc1 1862617468 ZVQNYHWFTIKIQQ-VWLOTQADSA-N 439.555 6.071 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(OC)c(OC)c1 1862655398 HTFKDKGZOHPABB-FYSMJZIKSA-N 445.515 5.234 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862664372 IGAKVCLCHXOZNE-XMMPIXPASA-N 434.580 5.073 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1cccc2ccccc12)c1ccc(F)cc1 1862678265 PBZHZCMNFWXCPL-VWLOTQADSA-N 437.470 5.757 30 10 IKEE Cc1ccccc1NC1=C(c2ccc(Cl)c(Cl)c2)C(=O)N(c2ccc(C#N)cc2)C1=O 1862911699 WKJVUZCBFNYJFA-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(OCCC)cc2)=C(c2cccs2)C1=O 1863472198 FIQGRHHPVJDOHA-UHFFFAOYSA-N 440.609 6.089 30 10 IKEE CCCCCCCCCCNC1=C(c2cccs2)C(=O)N(Cc2cccnc2)C1=O 1863798397 QZSBZHHJBLSSLX-UHFFFAOYSA-N 425.598 5.154 30 10 IKEE CCOC(=O)c1sc(NC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)c(C#N)c1C 1865911988 NYJPIIKFWQMCSL-XSFVSMFZSA-N 446.528 5.293 30 10 IKEE CC(C)(C)c1nc(Nc2ccccc2C#N)cc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)n1 1868350429 JLJYLIBHTVNNGS-OAQYLSRUSA-N 447.970 5.621 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)Nc2cc(C)ccc2C)c(=O)cc1C 1870087008 APGWFUNNQCAMOX-UHFFFAOYSA-N 426.601 5.932 30 10 IKEE CCCCCCCCCCn1cc(OCCOc2cccc3ccccc23)c(=O)cc1C 1870095577 HWSOIFTUBHEFHI-UHFFFAOYSA-N 435.608 6.908 30 10 IKEE CCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CSCc1ccccc1 1870166514 XXNHQGJNUZULQX-UHFFFAOYSA-N 427.654 6.987 30 10 IKEE C=CCn1cc(OCC(=O)Nc2ccc(C)c(C)c2)c(=O)cc1CSc1ccc(C)cc1 1870210538 KBNVGRAWJIHFGE-UHFFFAOYSA-N 448.588 5.269 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)c(Cl)c2)c(=O)cc1CSc1ccccc1 1870252801 JOINGYRKYCXELL-UHFFFAOYSA-N 432.372 6.212 30 10 IKEE CCCCCCCOc1cn(CCC)c(CNc2ccc(Cl)c([N+](=O)[O-])c2)cc1=O 1870832248 URJXMOGAZMEINV-UHFFFAOYSA-N 435.952 5.781 30 10 IKEE CCCCCCCCn1cc(OCC(C)C)c(=O)cc1CNc1cccc(C(C)(C)C)c1 1870857911 LQMIYVHAZZHIIT-UHFFFAOYSA-N 440.672 7.153 30 10 IKEE N#Cc1ccccc1NC(=O)Cc1csc(-c2ccc(Oc3ccc(F)cc3)cc2)n1 1871283677 KTZAUUDLPQWCSI-UHFFFAOYSA-N 429.476 5.794 30 10 IKEE COc1ccc([C@H](C)N2COc3cc(C)c4c(c3C2)O/C(=C\c2cccs2)C4=O)cc1 1871354389 PFUZDQLPPDQGPG-BDQMVGTNSA-N 433.529 5.594 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(C(F)(F)F)cc4)c3C)C2=O)c1 1871376119 UUUQGSYVDXQTKV-BKUYFWCQSA-N 438.401 6.158 30 10 IKEE Cc1c(OC(=O)Cc2cc(Cl)ccc2Cl)ccc2c1O/C(=C\c1ccccn1)C2=O 1871376314 FGTCEGGQLSXZCB-NDENLUEZSA-N 440.282 5.461 30 10 IKEE CCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(OC)c2)C3=O)cc1 1871380065 UUQZLUIDQMRDLT-NCEOBYAFSA-N 442.467 5.329 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3cc(OCCCCOc4ccccc4)ccc3C2=O)c1 1871403094 FCKPOGKLFVBAOO-ONUIUJJFSA-N 446.499 5.558 30 10 IKEE Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(C)o2)C3=O)c(C)c1 1871403140 SQRBIYGYPUANOJ-VLZFXTDASA-N 431.488 5.535 30 10 IKEE Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2cccs2)C3=O)c(C)c1 1871403332 VIVBWKAMJGGJTF-VYZAVGSRSA-N 433.529 5.696 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCCCCOc4cccc(C)c4)ccc3C2=O)cc1 1871405033 LJPBDCURYSMADV-IMRQLAEWSA-N 444.527 6.248 30 10 IKEE Cc1ccc(NC(=O)CCOc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871431980 WIVPXXVFHZYGCP-UCQKPKSFSA-N 433.891 5.672 30 10 IKEE CCCCCCCCCCN=c1nc(N2CCC(C)CC2)[nH]c(=Nc2cccc(F)c2)[nH]1 1871546260 MRVUEAQVEQUNRM-UHFFFAOYSA-N 442.627 5.387 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(CCCC)cc1)C(C)C)S(=O)(=O)c1cccs1 1871818062 BVYXDTXHTJMEFF-JOCHJYFZSA-N 448.654 5.321 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1cccc(F)c1)S(=O)(=O)c1cc(C)ccc1C 1871969013 PFGXJTPJQKVDEA-QFIPXVFZSA-N 446.588 5.063 30 10 IKEE C=CCN([C@@H](CC(C)C)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1cc(C)ccc1C 1872503533 BBVNLCYHXVXZCV-QHCPKHFHSA-N 442.625 5.150 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NS(=O)(=O)c1ccc(F)cc1)c1ccccc1 1872612951 JJRYAEBXGRCRPT-HSZRJFAPSA-N 448.604 5.102 30 10 IKEE COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc(OC)c1OC 1872760212 JNRXOAREHNRFAI-LJQANCHMSA-N 444.512 5.479 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 1872768401 RNEFNMHPDHPOSL-MRXNPFEDSA-N 427.869 5.260 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)c(Cl)c3)n2)cc1 1872770344 QMBYBYYCIGRQDR-INIZCTEOSA-N 431.344 6.396 30 10 IKEE COc1ccc(/C=C(/C(=O)[C@H](C#N)c2nc(-c3cccs3)cs2)c2ccccc2)cc1 1872771094 MCMHLRJCPALENN-UKQGIEBLSA-N 442.565 6.297 30 10 IKEE COc1ccccc1C(=O)[C@H](C#N)c1nc(-c2cc(Cl)c(OC)c(Cl)c2)cs1 1872785393 LUHQBFVFTJBELL-ZDUSSCGKSA-N 433.316 5.624 30 10 IKEE COc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1OC 1872787720 QCWXBAZIXNEQRI-IBGZPJMESA-N 444.512 5.479 30 10 IKEE CCCn1c(SCc2ccc(C(=O)Nc3ccc(C#N)cc3)cc2)nc2ccccc21 1872894586 CJZWSXLIDIRTOM-UHFFFAOYSA-N 426.545 5.863 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(OCCC)cc2)=C(c2cccc(Cl)c2Cl)C1=O 1873341681 MXCLIVZTKPJUJR-UHFFFAOYSA-N 431.319 5.160 30 10 IKEE C=CCN1C(=O)C(Nc2cccc(SC)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422716 LNZSISCBFVOAEP-UHFFFAOYSA-N 443.572 5.194 30 10 IKEE CCCCCCCCCCNC(=O)c1cc(-c2ccc3c(c2)C[C@H](C)O3)nc2ccccc12 1873935467 RNDFGUUFVMXLNZ-NRFANRHFSA-N 444.619 7.096 30 10 IKEE Cc1cccc(CSc2nnc(COc3c(C)ccc(C)c3C)n2/N=C/c2ccco2)c1 1874254957 XQVZUBPQOQFUKC-VULFUBBASA-N 446.576 5.858 30 10 IKEE CCCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1cccc(Cl)c1 1874255574 JCDABGVWADFOAC-ZMOGYAJESA-N 428.989 5.820 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1ccc(OCC)cc1 1874320557 XVRMMWIZSASPIS-AFUMVMLFSA-N 436.581 5.423 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(F)cc3)n2/N=C/c2ccc(O)cc2)cc1 1874379336 MTEQBMGHGWOQTF-CVKSISIWSA-N 432.524 5.197 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCc3ccccc3F)nnc2[C@H](C)c2ccccc2)c1 1874395209 HCKNESTTZKISPF-UBXTYJAUSA-N 446.551 5.758 30 10 IKEE Fc1ccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccc(Cl)cc2)cc1 1874406028 BMPPDXZLODCUBC-CVKSISIWSA-N 442.991 6.368 30 10 IKEE Oc1ccc(Cl)cc1/C=N/n1c(SCc2ccccc2F)nnc1-c1ccccc1 1874428377 GMZLIEWFNHFJTC-DHRITJCHSA-N 438.915 5.618 30 10 IKEE Fc1ccccc1CSc1nnc(-c2ccccc2)n1/N=C/c1ccc2c(c1)OCCO2 1874428634 SJSYPANSUODKIL-CVKSISIWSA-N 446.507 5.030 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2)nnc1C(F)(F)F 1874462479 VOXNXOVDJSCOHV-AUEPDCJTSA-N 426.851 5.133 30 10 IKEE COCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(Cl)cc1 1874475300 SOTSMOWBKIOBPZ-FOKLQQMPSA-N 439.343 5.087 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874476388 MUMKPHJGZSFNBD-WYMPLXKRSA-N 448.951 5.302 30 10 IKEE CCCSc1nnc(CC)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 1874526329 WWGUEOCCOINHNO-ZVHZXABRSA-N 444.988 5.466 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc3ccccc3c2)c1OCc1ccc(C)cc1 1874571593 WARAGTBKEBQCNF-BUHFOSPRSA-N 442.942 7.285 30 10 IKEE O=C(/C=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl 1874573593 VYIGKOFOGASHJX-KPKJPENVSA-N 428.271 6.377 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccccc1OCc1ccc(Cl)cc1 1874588994 OGIBVGLDQXDEIR-FMIVXFBMSA-N 427.327 6.786 30 10 IKEE CCOC(=O)c1ccc(COc2cccc(/C=C/C(=O)c3cc(Cl)ccc3Cl)c2)o1 1874600808 DZNZFMPOPUXYSM-UXBLZVDNSA-N 445.298 6.238 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)c1OCC(=O)OCC(C)C 1874613380 QZLUOSJUKOOPIY-RUDMXATFSA-N 437.319 5.476 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)cc2)cc1F 1874621469 GFPSSLFBFRTJTA-UXBLZVDNSA-N 433.479 5.365 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc(OC)c1OCCc1ccccc1 1874623865 ZJBOUIDPHFDTNC-ACCUITESSA-N 446.518 6.089 30 10 IKEE Cc1ccccc1COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1Br 1874625037 IZLLKYVGOXIJNR-WUXMJOGZSA-N 425.297 6.372 30 10 IKEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc1OC 1874638757 QINIXAHWMOKFKC-SDNWHVSQSA-N 447.531 5.000 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccccc2[N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 1874693276 XADMYTHTZRRICM-QGOAFFKASA-N 449.462 6.377 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3c(OC)cccc3OC)c2)cc1 1874702370 YZCUBBHZBNQFAL-LFIBNONCSA-N 446.499 5.608 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3cccc(C)c3C)c2)c(C)c1C 1874711998 NBFOUQBXNMSYEZ-WYMLVPIESA-N 444.527 5.809 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 1874715299 MTOWGSXYYQKTPX-IZZDOVSWSA-N 441.310 6.426 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OC(=O)Cc1ccc(F)cc1 1874716587 ZLDRCEBKUPVTDE-YRNVUSSQSA-N 432.491 5.804 30 10 IKEE COCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1Br 1875104848 QXOLOBPWIKLEPI-QHHAFSJGSA-N 444.108 5.204 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(OC)c1OC(=O)c1ccc(C)cc1 1875114958 GCBOPQRWQSZSFR-CXUHLZMHSA-N 442.511 5.856 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3F)cc2Cl)cc1 1875120668 DRHLLNQDKRFCKB-QDEBKDIKSA-N 442.845 6.132 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)c1ccc(F)cc1 1875131889 TUFIZAMJGZTAHQ-WUXMJOGZSA-N 434.463 5.575 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1ccc(C)c([N+](=O)[O-])c1 1875142855 XCHKMNVFMCNLNM-BJMVGYQFSA-N 449.434 5.475 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OC(=O)c1ccccn1 1875148794 NDYICNOOWJAMKO-MDWZMJQESA-N 449.934 6.156 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)Cc1ccc(Cl)cc1 1875158678 IFTJEFBMZFJQLX-WLRTZDKTSA-N 438.882 5.922 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OCC 1875163899 JFGCIUZWYKIXSP-RVDMUPIBSA-N 444.518 6.916 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3c(F)cccc3Cl)cc2)c(C)c1C 1875167818 OAZUWWATWYZHPH-UKTHLTGXSA-N 438.882 6.220 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCOc3ccccc3)c([N+](=O)[O-])c2)cc1C 1875174856 MIEPVXWQJHVAIP-FMIVXFBMSA-N 445.471 5.482 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3c(C)cc(C)cc3C)cc2[N+](=O)[O-])cc1 1875182897 ADIFFCRMWYBNPS-YRNVUSSQSA-N 429.472 5.944 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(C(C)(C)C)cc2)cc1 1875191854 HWZKBKLADHRHQA-VIZOYTHASA-N 448.946 6.761 30 10 IKEE Cc1c(C(=O)N2CCC(COc3cc(C#N)ccn3)CC2)sc2ccc(Cl)cc12 1891238105 ZPHMOSYFLLBOHM-UHFFFAOYSA-N 425.941 5.061 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1 1922068569 JLCFEFOKLKILJZ-JWQCQUIFSA-N 438.612 5.436 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1cccc(C)c1Br 1927300878 BWMYYDAZLKRKRB-QGZVFWFLSA-N 431.330 5.773 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1945527672 TXPALLHSCNXHGL-LZQZEXGQSA-N 449.979 5.619 30 10 IKEE CCC1(NC(=O)OC(C)(C)C)CC(C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 1947418056 QEWSKCMWVPKNEW-UHFFFAOYSA-N 449.979 5.811 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1949107945 CUZLDBKCUBUQQM-KFCXZAFISA-N 447.963 5.373 30 10 IKEE CC(C)(C)OC(=O)Nc1ccccc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2031833099 YMUAYGXWKCLCBZ-HXUWFJFHSA-N 441.503 6.179 30 10 IKEE CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2033644617 CFUKTJVKKYOBEL-PXNSSMCTSA-N 449.567 5.646 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CC[C@H](CCNC(=O)OC(C)(C)C)C2)c1 2037231081 JAENMOYCAZLGJV-CLOONOSVSA-N 443.588 5.714 30 10 IKEE O=C(C=Cc1cn(-c2ccccc2)nc1-c1ccc2c3c(cccc13)CC2)c1ccccc1 2040465622 YBTXXDIWDHQRHT-UHFFFAOYSA-N 426.519 6.687 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@@]1(C#N)CCC(F)(F)C[C@H]1OCc1ccccc1 2043759100 QBPKCVIHJGYHNW-WIYYLYMNSA-N 449.502 5.591 30 10 IKEE CN(C(=O)OC(C)(C)C)C1CCC2(CCCN2CCCB2OC(C)(C)C(C)(C)O2)CC1 2048942657 BDDVXLQZJSWSCC-UHFFFAOYSA-N 436.446 5.113 30 10 IKEE CC1(c2nn([C@@H](c3ccc(C4CC4)cc3)C3CCC3)c(Br)c2/C=N/O)CC1 2079064020 RLCWIODEFOKWPB-NZYROCMPSA-N 428.374 5.772 30 10 IKEE CC(C)c1nn([C@@H](c2ccc(C3CCC3)cc2)C2(C)CC2)c(Br)c1C=NO 2079929707 YTIYXVUJKRZJPD-FQEVSTJZSA-N 430.390 6.234 30 10 IKEE COc1ccc([C@@H](n2nc(C(F)(F)F)c(C=NO)c2Br)C2(C)CC2)c(C)c1 2079943927 JDKSSVUCWOAEQW-OAHLLOKOSA-N 446.267 5.179 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]([C@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccccc2)CC1 2082155991 PKNTZFBCNHAYFI-MHPIHPPYSA-N 443.588 5.794 30 10 IKEE CCc1ccc(C#N)c(NC2(CNC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)c1 2132309552 BFIHGZGPWCNYGH-UHFFFAOYSA-N 448.611 5.092 30 10 IKEE CCCC#CC[C@H](NCCC)c1ccc(Br)cc1I 2142287064 AUKYDDFNKHOGKG-INIZCTEOSA-N 434.159 5.288 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1ccc2c(c1)OCC2 2149631692 HTHOIACQQLLCKR-GOSISDBHSA-N 429.314 5.390 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1ncoc1C(F)(F)F 2167873184 UYANAEWADATPTL-GFCCVEGCSA-N 446.223 5.462 30 10 IKEE C[C@@H](CC1CCN(c2ccc(C#N)c(Br)c2)CC1)N(C)C(=O)OC(C)(C)C 2203591144 FQJKEVIIPFQYOE-HNNXBMFYSA-N 436.394 5.183 30 10 IKEE C=CCCN(Cc1ccccc1)c1c(CNC2CCC2)ccc(Br)c1Cl 2231448136 NJPJDCGRHMSOAQ-UHFFFAOYSA-N 433.821 6.327 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)CC2CC2)cc1Cl 2255545657 UDTBIWZDQRRCKV-UHFFFAOYSA-N 439.792 5.000 30 10 IKEE CC(C)[C@H](C)N(Cc1ccccc1)C(=O)c1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2255822194 KMELYLAYFWFANJ-SFHVURJKSA-N 441.808 5.326 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)c1cc(Cl)ccc1Br 2275827463 WGZBBTZWIQFCNK-HXUWFJFHSA-N 439.733 5.408 30 10 IKEE CN[C@H](CC=CC#CC(C)(C)C)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2284129050 LGDNGCWPTKSQOR-LJQANCHMSA-N 435.406 6.052 30 10 IKEE CCN(Cc1ccc(Nc2c(Br)cccc2C#N)cc1)C(=O)OC(C)(C)C 2285186725 UERUXPIWAQYWBT-UHFFFAOYSA-N 430.346 5.821 30 10 IKEE CCCN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1c(Br)cccc1C#N 2285190246 QJEJVJUDTAKOFU-MRXNPFEDSA-N 436.394 5.184 30 10 IKEE CCCCCCCC[C@H](OCCN)c1scc(Br)c1Br 2293376631 YSILRWUUTOQURO-ZDUSSCGKSA-N 427.246 6.040 30 10 IKEE Cn1cc(C=C2Oc3cc(OC(=O)c4ccccc4Cl)ccc3C2=O)c2ccccc21 2296871831 IFOHJDWFDSSZBI-UHFFFAOYSA-N 429.859 5.667 30 10 IKEE O=C1C(=Cc2cc(Br)cs2)CCCC1=Cc1cc(Br)cs1 2297334168 KGCRDLSSNNHMBD-UHFFFAOYSA-N 444.213 6.555 30 10 IKEE Cc1ccc(C(=O)C=Cc2cn(C[C@@H](O)CN(CC(C)C)CC(C)C)c3ccccc23)cc1 2297359339 KENONSNWMMABQW-SANMLTNESA-N 446.635 5.821 30 10 IKEE C=CCN1C(=O)C(=Cc2ccccc2OCCCOc2cc(C)cc(C)c2)SC1=S 2297624760 LIDZDXPZFZJSBX-UHFFFAOYSA-N 439.602 5.539 30 10 IKEE C=CCN1C(=O)C(=C2Sc3ccc(OC)cc3N2CC)SC1=Nc1cccc(C)c1 2297707837 QCNIETGMHZBTIL-UHFFFAOYSA-N 437.590 5.554 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 2298483922 GXFXTYZPSWAELF-NRVVDZMSSA-N 433.593 5.142 30 10 IKEE CC(C)(C)OC(=O)NC1([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)CCCCC1 2318921753 WMULNBHXOQYRSI-HXUWFJFHSA-N 449.636 6.066 30 10 IKEE CCC(CC)c1nnc(S)n1N=Cc1ccc(OCc2ccccc2Cl)c(OC)c1 2321901382 ANWQEYSEOXIJOB-UHFFFAOYSA-N 444.988 5.594 30 10 IKEE Sc1nnc(-c2ccco2)n1N=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 2321903939 SXQKHPUGYUQKIC-UHFFFAOYSA-N 445.331 5.595 30 10 IKEE CCCCCCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(N(C)C)cc1)C3=O 2322192683 DGJMEVXDPIHMPE-UHFFFAOYSA-N 448.607 6.190 30 10 IKEE O=C(C=Cc1cc(Br)ccc1OCCCO)c1ccc(-c2ccccc2)cc1 2322288895 SXMUVNQECGWJOF-UHFFFAOYSA-N 437.333 5.773 30 10 IKEE COc1cccc(C=CC(=O)c2ccc3c(c2)CCCC3)c1OCc1ccccc1Cl 2322339271 XESSDXREVYUNJC-UHFFFAOYSA-N 432.947 6.703 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(Cl)cc1)C3=O)CN([C@H](C)c1ccccc1)CO2 2322371243 HFDQWZORPKPEQM-QGZVFWFLSA-N 431.919 6.178 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2cccc(Cl)c2)c1OCc1ccc(Cl)cc1 2322524932 GMPUOBFZUIYLBG-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE CCc1ccc(NC(=O)COc2c(C=CC(=O)c3ccc(F)cc3)cccc2OC)cc1 2322748842 FLEIOWGJVOLMDZ-UHFFFAOYSA-N 433.479 5.310 30 10 IKEE CCOc1c(Br)cc(Br)cc1C=CC(=O)c1ccc(F)c(F)c1 2322781461 NUAPEZNQKUOSSH-UHFFFAOYSA-N 446.085 5.785 30 10 IKEE Cc1ccccc1COc1ccc(Cl)cc1C=CC(=O)c1cc(Cl)ccc1Cl 2323002967 DRGYHZKJJBVWKF-UHFFFAOYSA-N 431.746 7.430 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2C1=O 2323203611 LHQPJSVNUZYJMA-UHFFFAOYSA-N 446.502 6.349 30 10 IKEE Sc1nnc(Cc2ccccc2)n1N=Cc1ccc(OCCCc2ccccc2)cc1 2323511445 BCJUHFFBERXMRE-UHFFFAOYSA-N 428.561 5.051 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c3C)C2=O)o1 2323702071 FUDNDMAUAQRISX-UHFFFAOYSA-N 439.807 5.293 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2OC)cc(OC)c1OCc1ccccc1F 2323718914 QMHOJIQWIBOQMN-UHFFFAOYSA-N 432.491 6.047 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(CC)cc1 2323914985 ONICLUKHKOIALM-UHFFFAOYSA-N 443.543 5.870 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4cccc(OC(=O)C(C)C)c4)cc(C)c3C2=O)o1 2323915012 WHRKBEDRPLWPPI-UHFFFAOYSA-N 446.455 5.293 30 10 IKEE C[C@H]1C[C@@H](C)CN(Cc2c(O)ccc3c2OC(=Cc2ccc(Br)cc2)C3=O)C1 2324054873 BDWWWIRMYFDNKP-GASCZTMLSA-N 442.353 5.249 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Cl)c1OCc1cc(C)ccc1C 2324234703 ARCMKJKJWNVCSD-UHFFFAOYSA-N 442.889 6.719 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCCCOc4ccccc4)cc(C)c3C2=O)cc1 2324241277 NKVZXFPMOOUNMW-UHFFFAOYSA-N 430.500 5.858 30 10 IKEE Cc1c(OCCc2ccccc2)ccc2c1OC(=Cc1ccc(Cl)cc1Cl)C2=O 2324282928 IFZYZGJLIXKPOC-UHFFFAOYSA-N 425.311 6.540 30 10 IKEE COc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 2324331705 KYNXLGQWAGMAHZ-XMMPIXPASA-N 436.536 6.375 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2sccc2C)C3=O)cc1 2324380846 ZGAVHQHGYCOTEB-QGZVFWFLSA-N 433.529 5.696 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OCC(=O)OCC(C)C)c(Cl)c1 2324574082 LBGVOSOGGCSFKT-UHFFFAOYSA-N 442.983 6.420 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCCC(=O)Nc4ccc(C)cc4)c3C)C2=O)cc1 2325231871 KSNBCWJIZADRRH-UHFFFAOYSA-N 427.500 5.636 30 10 IKEE CCOC(=O)c1ccc(COc2ccc3c(c2)OC(=Cc2ccccc2OCC)C3=O)o1 2325394808 NLCNIJQKQXAQQW-UHFFFAOYSA-N 434.444 5.050 30 10 IKEE CCCOc1ccccc1C=Nn1c(C)nnc1SCc1ccc(Cl)c(Cl)c1 2325633246 YMWDARPBFFYWJR-UHFFFAOYSA-N 435.380 5.857 30 10 IKEE O=C(Oc1cccc(C=CC(=O)c2ccc(Cl)cc2Cl)c1)c1cccc([N+](=O)[O-])c1 2325709693 VEMDRQNXEUVXSF-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE CCCCC1CCC(C(=O)Oc2cccc(C=CC(=O)c3ccc(F)cc3F)c2)CC1 2325726111 LNFUSOIXCNMFQV-UHFFFAOYSA-N 426.503 6.763 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(CC)cc3)c2)cc1 2325733999 HJIJUMAFXHSRFD-UHFFFAOYSA-N 430.500 5.772 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCC(=O)Nc3cccc(C)c3C)ccc2C1=O 2325737811 JMVBONWKSPNEGJ-UHFFFAOYSA-N 443.499 5.336 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(OC)cc3)c2)cc1 2325738746 NGRFLAPUZHPRRZ-UHFFFAOYSA-N 446.499 5.608 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OC(=O)COc1cccc(C)c1C 2325739903 IYDSOPXXGQNLEP-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE CCc1ccc(C(=O)Oc2cc(C=CC(=O)c3ccc(C(C)(C)C)cc3)ccc2OC)cc1 2325746134 FZLGHMLEYXSNPR-UHFFFAOYSA-N 442.555 6.670 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1cccc(C=CC(=O)c2ccc(C(C)C)cc2)c1 2325750645 OCVPVFPTXGAKDA-UHFFFAOYSA-N 444.527 6.089 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)CCc2ccccc2C)c1 2325783143 CBHBYBWYYADFTA-UHFFFAOYSA-N 434.919 6.091 30 10 IKEE C=CCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1N=Cc1cccs1 2325812294 ZHKWIVNTYNJQAJ-UHFFFAOYSA-N 447.029 5.782 30 10 IKEE CCCc1nnc(SCc2ccccc2)n1N=Cc1cc(Cl)c(O)c(OCC)c1 2326220832 WPCYITDUCPYJQZ-UHFFFAOYSA-N 430.961 5.163 30 10 IKEE CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccc(Cl)cc1Cl 2326868002 PAWNSVIGIXHNRQ-UHFFFAOYSA-N 435.424 5.948 30 10 IKEE CSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1ccc(Cl)c(Cl)c1 2327141632 GMUYTWXRPKLKAH-UHFFFAOYSA-N 435.380 5.509 30 10 IKEE CCCCC1CCC(c2nnc(SCC)n2N=Cc2ccc(OCC)c(OC)c2)CC1 2328150377 ZJRXKUYVWTYROM-UHFFFAOYSA-N 444.645 6.144 30 10 IKEE CCSc1nnc(COc2c(C)cccc2C)n1N=Cc1cccc(Br)c1 2328553991 KVLNZIXSZZADIS-UHFFFAOYSA-N 445.386 5.231 30 10 IKEE COc1ccc(CCc2nnc(SCc3ccccc3C)n2N=Cc2ccccc2)cc1 2328571545 CDFOTNCQJCKOJP-UHFFFAOYSA-N 442.588 5.555 30 10 IKEE C=CCSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1cc(Cl)ccc1O 2328961786 WJTWFBIGKVQLAC-UHFFFAOYSA-N 426.973 5.199 30 10 IKEE Cc1ccc(C=Nn2c(Cc3ccc(C)c(C)c3)nnc2SCc2cccc(F)c2)cc1 2329406440 JZKPSPAWJNLJMK-UHFFFAOYSA-N 444.579 6.108 30 10 IKEE Cc1cccc(CSc2nnc([C@@H](C)c3ccccc3)n2N=Cc2ccccc2O)c1 2330073628 VTJLUCKUQRQAMB-IBGZPJMESA-N 428.561 5.618 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2ccc(C)cc2)nnc1-c1cccs1 2330530497 WHQHOKDAPCUWQX-UHFFFAOYSA-N 448.617 6.278 30 10 IKEE Oc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2-c2cccs2)cc1 2330584396 LWVQBEIRMFKHIO-UHFFFAOYSA-N 426.954 5.540 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(OC)cc1 2330641169 ZHWKWNLDYRYHJX-UHFFFAOYSA-N 447.443 5.117 30 10 IKEE Cc1ccccc1CSc1nnc([C@@H]2CCCO2)n1N=Cc1ccc(Cl)c(Cl)c1 2330894656 VMLUALCYAHYWGM-IBGZPJMESA-N 447.391 5.919 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(OC)c1OC(=O)c1ccc(F)cc1 2330911018 KRHCWAYCYRVMGW-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE Clc1ccc(C=Nn2c(SCc3ccccc3)nnc2[C@H]2CCCO2)cc1Cl 2330959153 NPKONGNBFKEPPD-GOSISDBHSA-N 433.364 5.611 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2OC)cc1 2331329809 JPSDVJNTDYTZRS-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE CN(C)c1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CCC2)cc1 2331539724 PJTJBAOGOGSADQ-UHFFFAOYSA-N 425.989 5.440 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(Oc4ccccc4)cc3)cc2)cc1 2331592619 INBDURZHZQBYAT-UHFFFAOYSA-N 448.518 7.157 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)[C@H](C)c3ccccc3)c(Cl)c2)cc1C 2331847602 NTDWPUBEUFQUQO-LJQANCHMSA-N 448.946 6.571 30 10 IKEE Cc1cc(Br)c(OCc2ccc(C#N)cc2F)cc1NC(=O)OC(C)(C)C 2370460659 SYEOACKVBRCUBE-UHFFFAOYSA-N 435.293 5.694 30 10 IKEE C=C(C)CN(Cc1ccccc1)[C@](C)(C(=O)O)c1cc2cc(Br)ccc2o1 2373728464 VVMWKMZDHBVTJT-QFIPXVFZSA-N 428.326 5.573 30 10 IKEE C=CCn1c(SCc2nnc(-c3ccc(Br)cc3)o2)nc2ccccc21 11650821 ANLCNZDYUUAWSJ-UHFFFAOYSA-N 427.327 5.327 30 10 IKEE CCOc1cccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OCC(C)C)cc2)C3)c1 21230724 HFZWKGZTOXOBCE-NFBKMPQASA-N 433.548 5.124 30 10 IKEE CCCOc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1cccs1)C2 21237568 XJFDCYKQZAQNBV-QUGAMOGWSA-N 430.573 6.516 30 10 IKEE Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C(C)(C)C)cc2)cc1 21246930 HSIVORLPUNALDS-ZTOMLWHTSA-N 436.599 7.272 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(OC(C)C)cc2)cc1 21248371 KUNYVNKMFUWINA-NFBKMPQASA-N 433.548 5.267 30 10 IKEE C=CCN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(OCC)c2)C1=O 35351796 QSMHDNDAYHFFEK-UNOMPAQXSA-N 447.915 5.679 30 10 IKEE C=CCC[C@@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)CC(C)C 36316234 CKCXJZBTVFJHET-XMMPIXPASA-N 447.623 6.012 30 10 IKEE O=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)Oc2ccc(Br)cc21 39842552 PPRPHSZGXOXSMS-ZDLGFXPLSA-N 446.094 6.088 30 10 IKEE C/C(=C1/S/C(=N/c2cccnc2Cl)N(C2CCCCC2)C1=O)c1ccc(N)cc1 39864175 HXELFZJRKGVZTJ-DNSQYUDISA-N 426.973 5.644 30 10 IKEE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/Nc2cccc(C(F)(F)F)c2)CCC3)nc1 40824095 ROXBUELQQWQVPA-OCSSWDANSA-N 442.441 5.715 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3c(ccc4c3CN(CCc3cccs3)CO4)C2=O)cc1 41655239 KUTJMGHHGDKCOT-OYKKKHCWSA-N 431.557 5.882 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccccc3OC)CO4)C2=O)cc1 41659080 SGERWULLHOPIDQ-QFEZKATASA-N 427.500 5.226 30 10 IKEE COc1ccc(O)c(/C=N/c2cc(C(F)(F)F)ccc2Oc2ccc(C(C)(C)C)cc2)c1 59463040 LFYFUYMVVYWOKR-WKULSOCRSA-N 443.465 7.260 30 10 IKEE COc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4cccc(C(C)C)c4)CC3)c2c1 64473592 QACHQRMAWTYNFW-UHFFFAOYSA-N 428.536 5.094 30 10 IKEE Cc1ccc(NC(=O)c2cnn3c2NC2=C(C(=O)CCC2)[C@@H]3c2ccc(F)c(F)c2)cc1C 64775613 ABERDVLOSHBRIR-QHCPKHFHSA-N 448.473 5.052 30 10 IKEE O=C1/C(=C/c2cccc([N+](=O)[O-])c2)S/C(=N/c2cccnc2Cl)N1c1ccccc1 101126882 BBKDYTMYTJAMJG-QACXOHACSA-N 436.880 5.452 30 10 IKEE CCCCCCCCCn1c([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)nc2ccccc21 101322821 PMNQGXYLQZTYSC-HXUWFJFHSA-N 438.015 6.961 30 10 IKEE COCCCN1C(=O)C(=O)/C(=C(\O)c2ccc(Cl)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 102527977 IEELTGDAKUDOCY-SADKCHQCSA-N 441.955 5.096 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OC(=O)c4ccc(F)cc4)ccc3C2=O)c2ccccc21 102727244 QOXRAPBNUSXXMI-CFRMEGHHSA-N 427.431 5.636 30 10 IKEE CCCCCCCC/N=C\c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 102943880 IDWFOMRWRJQNSK-YQCKJXIWSA-N 437.631 7.822 30 10 IKEE CCOc1c(Cl)cc(/C=N\Nc2cnn(-c3ccccc3)c(=O)c2Cl)cc1Cl 169895010 ZNYZFWXFEAVLEM-RMORIDSASA-N 437.714 5.037 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(OC)c2)cc1 169931374 AGVKOLXDJWOXQJ-QHCPKHFHSA-N 431.463 5.180 30 10 IKEE COc1cccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2cccc(C)c2C)c1 169934243 JBFDTLGWRYKVJV-AREMUKBSSA-N 441.527 5.414 30 10 IKEE COc1cccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2cccc(C)c2C)c1 169934247 JBFDTLGWRYKVJV-SANMLTNESA-N 441.527 5.414 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(OC(C)C)cc2)cc1C 169977345 IUUHUHLMHBPYDD-RUZDIDTESA-N 441.527 5.874 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2CCc2ccc(F)cc2)o1 170102821 OZSBTJQCTNUIOS-QHCPKHFHSA-N 433.479 5.165 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(O)cc1)c1cccc2ccccc12 170130314 ZCPOHTYDLHYXRS-QHCPKHFHSA-N 441.508 5.385 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2cccs2)c(C)c1 170160752 CIJOOOJRGWUCFG-DEOSSOPVSA-N 439.536 6.301 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccs2)ccc1OC(C)C 170163972 IMUMTQAHLMEKQG-JOCHJYFZSA-N 439.577 5.755 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccccn2)c1 170172303 ZYJHYOJIRQFZQK-XMMPIXPASA-N 442.515 5.270 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccc1 170227449 NUWDJBYIEQCDIR-RUZDIDTESA-N 435.479 5.631 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(F)cc1 170239627 XTBYJNRRIAUZAM-DEOSSOPVSA-N 443.518 6.215 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 170246570 BWPHZTFSTDXFOH-LJQANCHMSA-N 434.319 5.380 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2c[nH]c3ccccc23)c1 170256337 UDJQISURMOTMJG-QHCPKHFHSA-N 430.504 5.088 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@H]2c2ccco2)c1 170278846 IDZHLVJXIRCYEA-HSZRJFAPSA-N 447.487 5.167 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@H]2c2ccco2)ccc1F 170288330 SSXOAIJGDPSDOZ-FQEVSTJZSA-N 425.843 5.472 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(C(C)(C)C)cc2)c1 170471591 KMXOWLZZKQBPBY-XMMPIXPASA-N 443.543 5.972 30 10 IKEE Cc1ccc2onc(CC(=O)Nc3oc(-c4ccccc4)c(-c4ccccc4)c3C#N)c2c1 170494106 ZNRNKISCPAXPJT-UHFFFAOYSA-N 433.467 6.116 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1sccc1C)N2 250871283 KXWPJCHNTNUVFP-XQBPLPMBSA-N 426.607 5.246 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccc(C)cc2F)nnc1C12CC3CC(CC(C3)C1)C2 253561565 CFKYUSUSVREDQT-UHFFFAOYSA-N 440.588 5.110 30 10 IKEE O=C(Nc1ccccc1)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C(=Nc2ccccc2)S1 254498475 XZVFPPHQPOQPAP-QFIPXVFZSA-N 447.535 5.029 30 10 IKEE N#Cc1cc(Br)cc(Nc2cc(I)ccc2Cl)c1 302372816 KZMPAMFIHYNYER-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE C=CCn1nnc(COc2ccc(Cl)cc2)c1SCC(=O)Nc1ccc(Cl)cc1 334162975 SWLSAJJSJIVROM-UHFFFAOYSA-N 449.363 5.081 30 10 IKEE Cc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 526490208 FJSYIEVBFBDAOK-QFIPXVFZSA-N 435.310 6.231 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3cccc4ccccc34)[C@@H]2c2ccc([N+](=O)[O-])o2)c1 526521892 UJKQVZSGWBUIBS-QHCPKHFHSA-N 437.411 5.270 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccccc2OC)c1 526603914 IPTVDMDLCWEACO-VWLOTQADSA-N 440.499 5.413 30 10 IKEE Cc1cccc([C@@H]2C(c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2c2ccccc2C#N)c1 526605467 QDUBZOMGVQMYIQ-AREMUKBSSA-N 438.527 5.959 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccc(O)c(OCC)c1 526809136 ZEJBLYRXWQJSTM-OYKKKHCWSA-N 444.988 5.553 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1cn(C)c2ccccc12 526811775 RUNUBMYCSMPXAV-YSMPRRRNSA-N 431.609 5.904 30 10 IKEE CCOc1c(/C=N\n2c(CC)nnc2SCc2c(F)cccc2Cl)cccc1OC 526817637 RSISNKSEDFSWNK-MSXFZWOLSA-N 448.951 5.215 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1cccc(OC(C)C)c1 526821483 VCZOGXABFQEABY-PKAZHMFMSA-N 444.604 6.346 30 10 IKEE CCCCCOc1ccc(/C=N\n2c(CCC)nnc2SCc2cccc(F)c2)cc1 526825161 LZKLVMMTNJHRJB-ONUIUJJFSA-N 440.588 6.113 30 10 IKEE Cc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2ccc(N3CCCC3)cc2)cc1C 586211188 GIMZGKQQVVPSSW-UHFFFAOYSA-N 445.588 5.171 30 10 IKEE Cc1cc(Cl)ccc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 698453830 HKNFELGBYYDSAU-SFHVURJKSA-N 435.749 6.417 30 10 IKEE CC(C)(C)OC(=O)N1CCC([C@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)CC1 698866846 CINQOAZOIWDMIQ-DEOSSOPVSA-N 447.551 5.497 30 10 IKEE Cc1cc(/C=C2\SC(=Nc3ccc(C(=O)O)cc3)N(C)C2=O)c(C)n1C1CCCCC1 1083957377 CPQOIMHHGASAFP-NGZUUMTHSA-N 437.565 5.542 30 10 IKEE CCCCCCCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 1084653943 CRPRXIIGNMIIAZ-QYQHSDTDSA-N 438.571 6.870 30 10 IKEE Cc1ccccc1/C=N\N=C1/S/C(=C\C=C\c2ccccc2)C(=O)N1Cc1ccco1 1554646683 DPYAJECKBJBKRU-PSAXIDIJSA-N 427.529 5.651 30 10 IKEE CCN1C(=O)/C(=C\c2cccc(OCc3ccc(C)cc3)c2)SC1=Nc1cccc(C)n1 1772730440 CKIWGVHDONVVLV-HNXGTMCTSA-N 443.572 5.901 30 10 IKEE O=C1NC(=NN=Cc2ccc(-c3ccccc3)o2)S[C@@H]1Cc1ccc(Cl)c(Cl)c1 1772742363 OHKJIKWPKJBZIT-LJQANCHMSA-N 444.343 5.418 30 10 IKEE CC(C)(C)c1ccc(C=NN=C2S/C(=C\c3ccccc3)C(=O)N2Cc2ccco2)cc1 1772757493 GHMHMBWYHDUHAO-HKVVCLDKSA-N 443.572 6.084 30 10 IKEE CCOC(=O)[C@H](Cc1ccc(F)cc1)C(=O)CC=NOCc1ccc(Cl)cc1Cl 1848352920 MDFJEMXDADDZCP-GOSISDBHSA-N 440.298 5.016 30 10 IKEE N#C[C@@H](c1cccs1)N1CCC(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 1858106820 KSQZNXBFMMVXLW-INIZCTEOSA-N 427.879 5.336 30 10 IKEE O=C(/C=C/c1ccccc1Br)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 1860726544 SOCKBNWTHMZDRM-VMPITWQZSA-N 432.623 5.342 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(N(CC)CC)cc1 1862421755 OYAHHNDNUGMUSC-QRQCRPRQSA-N 442.506 5.188 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccc(N(C)C)cc2)cc1 1862476604 CBOAFZNHHHCVON-VWLOTQADSA-N 446.591 5.752 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(F)cc2F)cc1 1862477975 WSQAWAHRCJYJMX-QFIPXVFZSA-N 437.417 5.191 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2ccc(Cl)cc2Cl)cc1 1862483042 UQLSIVHQKNRMSH-HXUWFJFHSA-N 448.346 5.043 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccc(CC)cc3)[C@@H]2c2ccccc2)cc1 1862531826 CSDRIVGMRMQIKL-AFMDSPMNSA-N 439.555 6.151 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2Cc2cccs2)c1 1862534700 VAQBEOCBTMQMJD-HSZRJFAPSA-N 447.556 5.488 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1c(F)cccc1Cl 1862549280 LTGMSSFUZFLAMM-JOCHJYFZSA-N 441.930 5.592 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(O)cc2)cc1 1862661021 BKPQSAQDYXQZSF-VWLOTQADSA-N 441.527 5.337 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862692368 KRSMXUVZZASZBX-DEOSSOPVSA-N 449.591 6.151 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(Cl)c3Cl)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862896562 UFWCPCYRIDKRPJ-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2C(C)(C)C)=C(c2ccc(Br)cc2)C1=O 1863201729 HBGZJWDNRJVGIN-UHFFFAOYSA-N 439.353 5.125 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2F)=C(c2ccc(F)cc2F)C1=O 1863307815 RADCFMKWQWWTBL-UHFFFAOYSA-N 430.470 5.656 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2cccnc2)=C(c2ccc(F)cc2)C1=O 1863507168 CQGPRWLTOGYQSX-UHFFFAOYSA-N 437.559 5.231 30 10 IKEE CCCCCCCCN1C(=O)C(NCCC(C)C)=C(c2ccc(OC(C)C)cc2)C1=O 1863696085 DHDHVGXITYMMDJ-UHFFFAOYSA-N 428.617 5.550 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2Cl)C(=O)N([C@H](C)c2ccccc2)C1=O 1863779238 JQULGKCVLCUTJL-LJQANCHMSA-N 438.999 6.131 30 10 IKEE CCCC[C@H](NC(=O)C[C@@H](c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1ccc(C#N)cc1 1866724574 LFTWKIVMPIYUBY-RPBOFIJWSA-N 431.580 5.373 30 10 IKEE C=CCn1cc(OCc2c(F)cccc2Cl)c(=O)cc1CSc1ccc(C)cc1 1870174036 IKMRFAGOEHXTCK-UHFFFAOYSA-N 429.944 6.007 30 10 IKEE C=CCOc1cn(Cc2ccccc2C)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870244521 UMIBYMYELPWXQB-UHFFFAOYSA-N 445.588 5.254 30 10 IKEE CCCCCCCCn1cc(OCCOc2ccc(OC)cc2)c(=O)cc1CSCC 1870268961 SAMGEPCOGMSXJJ-UHFFFAOYSA-N 447.641 5.928 30 10 IKEE CCCCCCCOc1cn(CCCCC)c(CN(CCO)Cc2ccccc2)cc1=O 1870411500 BTDBDGLDERFAEJ-UHFFFAOYSA-N 442.644 5.382 30 10 IKEE CCCCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CN(CC)CCCC 1870612368 YYHNOCWBEXWFIX-UHFFFAOYSA-N 432.693 6.956 30 10 IKEE C=CCn1cc(OCc2c(C)cc(C)cc2C)c(=O)cc1CNc1cccc([N+](=O)[O-])c1C 1870802783 JWRVANXPCQIHQZ-UHFFFAOYSA-N 447.535 5.367 30 10 IKEE C=CCOc1cn(CCCCCCCCCC)c(CNc2ccc(N(C)C)cc2)cc1=O 1870813039 UDARNQCMFANXBO-UHFFFAOYSA-N 439.644 6.232 30 10 IKEE CCCCCCCOc1cn(CCCOCC)c(CNc2ccc3[nH]ncc3c2)cc1=O 1870830744 XUTGDHILCZFSSA-UHFFFAOYSA-N 440.588 5.113 30 10 IKEE COc1cccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN([C@@H]2CCCC[C@H]2C)C4)c1OC 1871351361 WXRZMQRLZNJCRH-LYZPNAKBSA-N 449.547 5.359 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(C(C)C)cc1)C3=O)CN([C@H]1CCCC[C@H]1C)CO2 1871355883 LCRIFPUGZIUUFC-JLWBTTKRSA-N 431.576 6.465 30 10 IKEE Cc1ccc(CCN2COc3c(cc4c(c3C)O/C(=C\c3cccc(C)c3)C4=O)C2)cc1 1871359122 JODKVKGCGBSUGX-QFEZKATASA-N 425.528 5.623 30 10 IKEE Cc1cc(O)c(CN(C2CCCCC2)C2CCCCC2)c2c1C(=O)/C(=C/c1ccco1)O2 1871393106 NNAMGNVOLRGLAV-JLPGSUDCSA-N 435.564 6.377 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(CN3CCc4ccccc4C3)c(O)cc(C)c2C1=O 1871394911 XHJWTVBCNZZLHA-MYYYXRDXSA-N 441.527 5.274 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccc(C)cc4C)c3C)C2=O)cc1 1871413067 AEVOCSMRAUFDJC-FXONECCMSA-N 441.527 5.942 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccc(Cl)cc4)c3C)C2=O)cc1 1871413827 CBPBPVSFAKTPIF-PGECNJAHSA-N 447.918 5.979 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4c(C)cccc4C)ccc3C2=O)c1 1871430751 APXJDYIQVDEMFD-QCYAWUEASA-N 427.500 5.634 30 10 IKEE Cc1c(OCc2cccc3ccccc23)ccc2c1O/C(=C\c1ccc(Cl)cc1)C2=O 1871433774 HBFJIERJQAFPAG-MYYYXRDXSA-N 426.899 6.997 30 10 IKEE Cc1cccc(COc2ccc3c(c2C)O/C(=C\c2ccc(Cl)cc2Cl)C3=O)c1 1871455027 HQVUKPCVIGTVFA-JJFYIABZSA-N 425.311 6.805 30 10 IKEE CCCCCCCCCCN=c1nc(N2CCC[C@@H](C)C2)[nH]c(=Nc2ccccc2C)[nH]1 1871484325 YUZPJUQOUVQULT-OAQYLSRUSA-N 438.664 5.556 30 10 IKEE CCCc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 1872761719 UDRHPKQUEWWBPN-IBGZPJMESA-N 436.533 5.035 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@@H](C#N)C(=O)/C=C/c2ccc(C(C)(C)C)cc2)n1 1872781112 PAHHOWWNSWJQJG-FQTAANOTSA-N 444.600 6.623 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)CCCOc2ccccc2)n1 1872786708 QFDIXSQPUCOFGS-IBGZPJMESA-N 440.952 5.816 30 10 IKEE C=CCc1ccccc1OCc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1 1872859518 UQMIEBBCNXOURC-UHFFFAOYSA-N 440.587 5.389 30 10 IKEE CCCOc1ccc(NC(=O)c2cccc(CSc3nc(C)c(C)c(C)c3C#N)c2)cc1 1872893180 LHYAFJLDCHXGQF-UHFFFAOYSA-N 445.588 6.212 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2F)C(=O)N([C@H]2CCCC[C@H]2C)C1=O 1873029528 KTJVJFSKFLXSPU-OFNKIYASSA-N 442.619 6.215 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C(F)(F)F)c2)cc2c(NCCC(C)C)ncnc21 1873610961 GMIIAJFWVQGPSQ-UHFFFAOYSA-N 431.462 5.346 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1ccc(F)cc1F 1874249875 MFMBFPWBQQRPJV-MFKUBSTISA-N 428.508 5.037 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CCCOc2ccc(C)cc2)nnc1SCC=C 1874253861 OPCFEARIISUXHQ-LGUFXXKBSA-N 448.592 5.323 30 10 IKEE CCCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccc(C(C)C)cc1 1874255577 JGZURRJQTIEZAS-CVKSISIWSA-N 436.625 6.290 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2C)n1/N=C/c1cccs1 1874360853 BLYGPHRQSQQUAK-PCLIKHOPSA-N 432.618 5.916 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2ccccc2O)cc1 1874389641 XEUDVCAAZGEKMZ-NLRVBDNBSA-N 428.561 5.100 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2/N=C/c2ccc(O)cc2)cc1 1874391119 UPXAAQMEEMDRJR-CVKSISIWSA-N 448.979 5.711 30 10 IKEE Clc1ccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccco2)c(Cl)c1 1874410027 XVBBDLWOZOIMJM-ZMOGYAJESA-N 449.407 6.475 30 10 IKEE C=C(C)CSc1nnc(Cc2cccs2)n1/N=C/c1ccc(OCCCCC)cc1 1874412231 JGUPTCXOIWLJRR-LFVJCYFKSA-N 440.638 6.050 30 10 IKEE Clc1ccc(CSc2nnc(Cc3cccs3)n2/N=C/c2ccco2)c(Cl)c1 1874414462 TZYPGSIRTALYDJ-SSDVNMTOSA-N 449.388 6.005 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C2CCCC2)cc1 1874454473 NMYCQIQNSDNKBR-MFKUBSTISA-N 449.580 6.142 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccco3)n2/N=C/c2cn(C)c3ccccc23)c1 1874466082 QKFSRMMGSZDXIV-AFUMVMLFSA-N 427.533 5.513 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CCOC)nnc2SCc2ccccc2C)cc1 1874470302 XYDVCTKWBBKVRA-KOEQRZSOSA-N 438.597 5.129 30 10 IKEE COc1cccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C(C)(C)C)c1 1874484600 DJXAXCANTMCETC-WYMPLXKRSA-N 449.407 6.066 30 10 IKEE COc1cccc(/C=N/n2c(CC(C)C)nnc2SCc2c(F)cccc2Cl)c1 1874491840 LMPWVRNJKFBCKL-WYMPLXKRSA-N 432.952 5.452 30 10 IKEE COCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc(F)cc1 1874505860 CDPGEQMFSCXXIH-LSFURLLWSA-N 425.316 5.045 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CC2)cc1OC 1874520833 XRJXKKNDEINCOP-ZMOGYAJESA-N 442.972 5.391 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/n2cnnc2S)cc1Br 1874557321 AJOSXYIJEZWKHU-FYJGNVAPSA-N 425.396 5.341 30 10 IKEE CCCCCOc1ccccc1/C=N/n1c(S)nnc1CCCOc1ccccc1C 1874567465 YNEKNJGMECTOLX-XIEYBQDHSA-N 438.597 5.338 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(Cl)cc2)c1OCC(=O)Nc1ccc(C)c(C)c1 1874578521 RWALOPINSQTJET-GXDHUFHOSA-N 449.934 5.879 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OCc1cccc2ccccc12 1874603609 VTIYAIVWRSNYJC-GHRIWEEISA-N 444.530 7.477 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(OC)c(OCc3ccc(Cl)cc3)c(OC)c2)c1 1874605431 OQPHJSHHUFTURL-FMIVXFBMSA-N 438.907 5.841 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Cl)c1OCc1cccc(F)c1 1874611711 RASGYEJTCDYZJC-VMPITWQZSA-N 432.825 6.241 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OCC(=O)NCc1ccccc1 1874632996 GUQIGKKFHOTMBL-SDNWHVSQSA-N 443.543 5.293 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)c(C)c1 1874634073 KBVKEWNJMZFUGA-SDNWHVSQSA-N 427.544 6.142 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1)c1cccc([N+](=O)[O-])c1 1874692691 SWZSDSMUDTZIBZ-JXMROGBWSA-N 442.254 6.017 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@H]3CCCO3)c2)cc1OCCC 1874699933 UEVIFMIMDNWFSP-IYNHSRRRSA-N 438.520 5.245 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2cccc(OC(=O)COCc3ccccc3)c2)c1C 1874710977 ODIXKRAPCNCUQA-BUHFOSPRSA-N 428.528 5.939 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](C)CSc2nnc(COc3c(C)cccc3C)n21 1875042581 PLTRJPMHBWWNHM-IBGZPJMESA-N 430.618 5.183 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)c(OC)c2)cc1 1875115155 PGGQYXPSWXYYRO-LFYBBSHMSA-N 447.443 5.036 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2)c1 1875122731 JSXYCBZNFOUXGV-WLRTZDKTSA-N 436.891 5.401 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2Cl)c1 1875125976 KHVVQNWZVVICAX-YCRREMRBSA-N 425.311 6.726 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1)c1ccc(Cl)cc1Cl 1875154251 VQATYYTVRLJFDR-XNTDXEJSSA-N 447.317 7.262 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc(Cl)c1OC(=O)CC 1875181130 OWUSNMTZEGEVGG-BQYQJAHWSA-N 437.319 5.921 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1sccc1C 1875183601 JUWWAKYBFVVWEJ-VQHVLOKHSA-N 434.557 6.496 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N(CCC)CCC)n2CCC 1875205479 QDVAEVPWHGBDNK-UHFFFAOYSA-N 443.680 6.656 30 10 IKEE C=CCn1c(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc2c(NCc3ccccc3Cl)ncnc21 1875228277 IPJOEMZWDSMJEQ-IAGOWNOFSA-N 437.975 5.001 30 10 IKEE C=C(COCc1ccccc1)[C@H](NC)c1sc(Cl)cc1I 1889573428 UFUXJSBMSKFAES-HNNXBMFYSA-N 433.742 5.040 30 10 IKEE N#Cc1ccc(OC2CCN(C(=O)[C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 1892319401 BOHKDMBALMJDFQ-VWLOTQADSA-N 430.935 5.414 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CC[C@@H](C2CC2)N1C(=O)OC(C)(C)C 1922091851 NESWFBOHCOZAKD-HJOGWXRNSA-N 428.617 5.306 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCC1 1924940825 LBAGYYWZEOAYCZ-MZNJEOGPSA-N 433.593 5.143 30 10 IKEE CCCCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(F)(F)C(=O)O 1927480409 QOOZELBLDDXJIJ-JOCHJYFZSA-N 445.506 5.974 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]1(C)CC(F)(F)CN1C(=O)OC(C)(C)C 1996104865 HYUCJSOHPHQNOE-NFBKMPQASA-N 438.559 5.162 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@@H]1[C@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C)NCCC 2007959573 XFMQEFZXAYMPMV-CJRSTVEYSA-N 428.617 5.306 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@H](NC(=O)OC(C)(C)C)C2(C)C)c1 2013407292 MVCZPFCGGSKGBJ-UUOWRZLLSA-N 429.561 5.322 30 10 IKEE CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2014633580 CVRFENZGEIGUEE-NTKDMRAZSA-N 429.561 5.356 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCCC[C@H]2NC(=O)OC(C)(C)C)c1 2031497205 KNHVRMNQTYYNOH-NLFFAJNJSA-N 443.588 5.856 30 10 IKEE CN(C[C@](C#N)(N(C(=O)OC(C)(C)C)c1cccc(F)c1)C(C)(C)C)C(=O)OC(C)(C)C 2032013507 NUFAHFHPXKNRTI-DEOSSOPVSA-N 449.567 5.743 30 10 IKEE Cc1ccc(C(=O)Nc2cccc(C=C(C(=O)c3ccccc3)C(=O)C(F)(F)F)c2)cc1 2040476018 SNXHIMZJNQDTNS-UHFFFAOYSA-N 437.417 5.645 30 10 IKEE CCCCCCCCC=CCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O 2042436285 WRGQSWVCFNIUNZ-HXUWFJFHSA-N 436.526 5.037 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@H]3C[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)cc1 2046020945 YBUDTMGADNFLID-UNMPFANTSA-N 441.572 5.322 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1CN(C(=O)OC(C)(C)C)C2(CCCC2)C1 2049704203 LMXBLHGJRJBZRH-BJKOFHAPSA-N 442.644 5.697 30 10 IKEE CC(C)(C)[C@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)(F)F)c(CO)c1Cl 2079857194 YKDFIWRRGXNHPK-ZDUSSCGKSA-N 432.767 5.841 30 10 IKEE Brc1csc(CN=C2N[C@@H](c3ccsc3)CS2)c1Br 2119000864 FCTDKMWSHKFUBZ-SECBINFHSA-N 438.235 5.268 30 10 IKEE C=CCCCCC[C@H](NCC)[C@@H](O)c1scc(Br)c1Br 2150566704 KSSXIFNDYXMEBG-GXTWGEPZSA-N 425.230 5.421 30 10 IKEE CC(C)(C)OC(=O)NCCCc1ccc(Nc2cccc(Br)c2C#N)cc1 2203171599 AORHUKVBKZDPAU-UHFFFAOYSA-N 430.346 5.522 30 10 IKEE CC(C)(C)OC(=O)NC(C)(C)[C@H]1CCCCN1c1ccc(C#N)c(Br)c1F 2208033553 PXRGHONNQGSFLZ-OAHLLOKOSA-N 440.357 5.122 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)CCC12CC2 2214698064 CORAYNXRXHMLRR-DEOSSOPVSA-N 427.545 5.254 30 10 IKEE C=CC[C@@H](C)[C@@H](NCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2229170846 GTXXBKRJGMDREG-AYOQOUSVSA-N 425.411 5.075 30 10 IKEE CN(C(=O)OC(C)(C)C)C1(CC(=O)C#Cc2ccccc2Br)CCCCC1 2235730912 PJPIDHJVORIUHJ-UHFFFAOYSA-N 434.374 5.330 30 10 IKEE C=CCCCCC[C@@H](NC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237425956 ZLKUUOSWIWVNKZ-WOJBJXKFSA-N 439.438 5.609 30 10 IKEE CC(C)(C)N(Cc1ccccc1)C(=O)c1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1 2247779703 YFPWTAVDNVFJOY-UHFFFAOYSA-N 427.781 5.080 30 10 IKEE CC1(C)OB(c2sccc2C(=O)N(Cc2ccccc2)CC2CCCCC2)OC1(C)C 2255803279 LXWVQFOKKFGBOY-UHFFFAOYSA-N 439.430 5.270 30 10 IKEE CCCN[C@H](CC#CC1CCCC1)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2261101842 XGUSFOYANYXZLB-NQHRYMMQSA-N 442.644 5.437 30 10 IKEE C=C(C)CCCC[C@H](O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2271757196 YZMVPXOEJHTPED-MOPGFXCFSA-N 426.395 5.382 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2c(Br)cccc2C#N)C[C@H]2CCCC[C@H]21 2285168969 FMXSRTPBSHJZFK-UWWQBHOKSA-N 434.378 5.301 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)[C@@H]2Nc1cc(Br)ccc1C#N 2285783321 XDFCZEKSDQMRGB-MKJFMTOSSA-N 434.378 5.205 30 10 IKEE O=C1C(=Cc2c(F)cccc2Cl)Oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc21 2296865855 KSPRSBXIRCWOJQ-UHFFFAOYSA-N 425.799 5.583 30 10 IKEE Cc1cc(C)cc(N=C2NC(=O)C(=Cc3ccc(-c4ccc(Cl)cc4Cl)o3)S2)c1 2297298404 KEOXEUXONYSXGV-UHFFFAOYSA-N 443.355 6.762 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2308985695 PKJSPCOKTGOPMV-SAASNCCBSA-N 445.535 5.153 30 10 IKEE O=C1NC(=Nc2ccc(Cl)cc2)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)S1 2314488223 MNYNBTMNTVNGOJ-UHFFFAOYSA-N 425.853 6.036 30 10 IKEE CC(C)[C@@H]1C[C@H](Nc2ccc(C#N)c(Br)c2)CN1C(=O)OCc1ccccc1 2321253765 UTPVZLWWVFNJLO-FPOVZHCZSA-N 442.357 5.168 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(OCc3ccc(Cl)cc3Cl)c2C)C1=O 2321787296 JPFJMQSDLAIPRT-UHFFFAOYSA-N 431.340 6.867 30 10 IKEE CCCN1COc2c(cc3c(c2C)OC(=Cc2cn(CC)c4ccc(OC)cc24)C3=O)C1 2322346780 DCAHSXLTBQLQJX-UHFFFAOYSA-N 432.520 5.156 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(N(C)C)cc1)C3=O)CN([C@@H](C)c1ccccc1)CO2 2322371346 ACXBFRMOQMVMJJ-IBGZPJMESA-N 440.543 5.590 30 10 IKEE Cc1ccsc1C=C1Oc2c(cc3c(c2C)OCN(Cc2ccc4c(c2)OCO4)C3)C1=O 2322371910 PGJTZNDFWZIWSG-UHFFFAOYSA-N 447.512 5.062 30 10 IKEE COc1ccc2ccccc2c1C=NNc1cnn(-c2ccccc2Cl)c(=O)c1Cl 2322624192 LURLYIZZBQJFOE-UHFFFAOYSA-N 439.302 5.147 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@](C#N)(N(C(=O)OC(C)(C)C)c1ccc(F)cc1)C2 2322625631 KXLWSMGRYFWGHI-UXSWERMXSA-N 445.535 5.249 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Br)cc(Br)c2OC)cc1F 2322708472 ICDJZCXJHQZZGH-UHFFFAOYSA-N 444.094 5.264 30 10 IKEE C=CCOc1c(C=CC(=O)c2ccc(OC)c(C)c2C)cc(Br)cc1OC 2322825248 JEGAAQZZZGXPPV-UHFFFAOYSA-N 431.326 5.544 30 10 IKEE Cc1c(OC(=O)c2ccncc2)ccc2c1OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2322828378 UNNZEPHVFMNKIF-UHFFFAOYSA-N 433.463 5.892 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc3C2=O)c(OC)c1 2323057338 BGWDPGDYVSWVGU-UHFFFAOYSA-N 442.467 5.247 30 10 IKEE Cc1c(OC(=O)Cc2ccc(F)cc2)ccc2c1OC(=Cc1cn(C)c3ccccc13)C2=O 2323226393 FTYOUAHVGIMVSC-UHFFFAOYSA-N 441.458 5.390 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OCC(=O)Nc1cccc(C)c1C 2323280076 KMXZZNZLGHSAON-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)CCc2cc(NC(=O)OC(C)(C)C)ccc21 2323293827 LGFYYASFBOZIMD-SANMLTNESA-N 436.552 5.338 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(Br)c1OCCCO 2323403923 AASDKJKWXPRAPV-UHFFFAOYSA-N 441.321 5.268 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCC(=O)N(CC)CC)c(Cl)c2)cc1 2323538937 WHWUCJNSVVRGKM-UHFFFAOYSA-N 427.972 5.826 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCc3cc(C)ccc3C)c([N+](=O)[O-])c2)cc1 2323540556 SZGYSNHKXKWRLI-UHFFFAOYSA-N 443.543 7.029 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)c4cc5ccccc5oc4=O)cc(C)c3C2=O)c1 2323570835 YNSPFISWBYRFBW-UHFFFAOYSA-N 438.435 5.245 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3c(Cl)cccc3Cl)c(Cl)c2)cc1 2323628345 VNBCQYYXHDBONF-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)cc(C)c3C2=O)c1 2323641023 QUIVXRZWUIBOBY-UHFFFAOYSA-N 442.511 6.174 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OCC(=O)NC1CCCCC1 2323767927 NYCHDSVCLVUIMR-UHFFFAOYSA-N 441.955 5.463 30 10 IKEE CCCOc1c(OCC)cc(C=NNc2nc(-c3ccc(C)cc3)cs2)cc1[N+](=O)[O-] 2323854250 AFNIYLLIRBBONO-UHFFFAOYSA-N 440.525 5.660 30 10 IKEE COc1ccc(C=NNc2nc(-c3ccccc3)cs2)cc1OCc1ccc(C)cc1 2323865655 HEMDQWRRYQXDSY-UHFFFAOYSA-N 429.545 6.152 30 10 IKEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(Cl)c(Cl)c3)cc2)o1 2323879689 VCYHIOVAWGCSCT-UHFFFAOYSA-N 431.271 5.848 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)c1cccc2ccccc12 2324129644 NYILVHWOZHDEOA-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE Cc1c(O[C@H](C)C(=O)Nc2ccccc2Cl)ccc2c1OC(=Cc1cccs1)C2=O 2324392512 MHVVZCUKKRPINO-CQSZACIVSA-N 439.920 5.732 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OCc2ccc(F)cc2)c(Cl)c1 2324510567 VLJCQCJLNRFOMW-UHFFFAOYSA-N 445.317 6.925 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3cccc(C)c3)c(Cl)c2)cc1Cl 2324610148 WMOQIINBEBARRP-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE COc1ccc(OCCCOc2cc(C)c3c(c2)OC(=Cc2cccc(C)c2)C3=O)cc1 2324706140 NXPMZGZCECRTJF-UHFFFAOYSA-N 430.500 5.776 30 10 IKEE CCc1ccc(NC(=O)[C@@H](CC)Oc2ccc3c(c2)OC(=Cc2cccs2)C3=O)cc1 2324816644 DXOZILDPEXCBPF-OAQYLSRUSA-N 433.529 5.723 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(O)c(OCC)c1 2325532545 ZEJBLYRXWQJSTM-UHFFFAOYSA-N 444.988 5.553 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccccc1Cl 2325571791 NBKBCUMRMXNREO-UHFFFAOYSA-N 439.799 6.365 30 10 IKEE COc1cccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)c1 2325575212 NBWQQEOGFYDQDH-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc2c(c1)OC(=Cc1cn(C)c3ccccc13)C2=O 2325714115 LVSGWYFHDQIWKL-UHFFFAOYSA-N 438.483 5.120 30 10 IKEE CCCCc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccc(C)o2)C3=O)cc1 2325720076 FHGHZJOQJVNGFX-UHFFFAOYSA-N 445.515 5.873 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3c(C)cccc3C)c2)cc1 2325735132 SLWNDRVGYQPHIP-UHFFFAOYSA-N 430.500 5.583 30 10 IKEE CCOc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c(F)c3)c2)cc1 2325748415 FBKQSTNKAPXQBI-UHFFFAOYSA-N 434.463 5.277 30 10 IKEE CSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1c[nH]c2ccccc12 2325907028 JPWGIWNTSSNEPZ-UHFFFAOYSA-N 432.336 5.249 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(OCC(C)C)cc1 2326552209 IFIBKJLQVKELAB-UHFFFAOYSA-N 443.016 6.093 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2OCC)n1N=Cc1ccc(CC)cc1 2326823901 GIJUQSIIUODWFL-UHFFFAOYSA-N 436.581 5.369 30 10 IKEE CCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1c(F)cccc1Cl 2326927113 LVXNJUDIWIYKOW-UHFFFAOYSA-N 447.023 6.214 30 10 IKEE Clc1ccccc1CCc1nnc(SCCc2ccccc2)n1N=Cc1cccnc1 2327966611 OLMFYOGRGCOYSW-UHFFFAOYSA-N 447.995 5.329 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1ccccc1 2328448528 CXUBWWDYKCEOBZ-UHFFFAOYSA-N 443.532 5.260 30 10 IKEE CCCSc1nnc(CCc2ccccc2OC)n1N=Cc1c(Cl)cccc1Cl 2328699786 WCKDMFYKFZKIII-UHFFFAOYSA-N 449.407 5.763 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1cccc2ccccc12 2328945820 SUFAIXWPQAMWPZ-UHFFFAOYSA-N 440.616 6.384 30 10 IKEE Fc1cccc(CSc2nnc(-c3ccccc3Cl)n2N=Cc2ccccc2F)c1 2329552882 ALUDJBCNKVLRGB-UHFFFAOYSA-N 440.906 6.051 30 10 IKEE Cc1ccsc1C=Nn1c(Cc2cccs2)nnc1SCc1cccc(Cl)c1 2330431600 VQSQAHRYVSLCFL-UHFFFAOYSA-N 445.038 6.128 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc2c(c1)CCCC2 2330678440 KGWXXDHIWYTQPI-UHFFFAOYSA-N 427.456 5.589 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)[C@@H]1CCCO1 2330820979 MUYNVQBRBDMZAC-FQEVSTJZSA-N 435.303 5.373 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H](C)c3ccccc3)c([N+](=O)[O-])c2)cc1C 2330867368 CLYUBFOTQVLNST-GOSISDBHSA-N 445.471 5.517 30 10 IKEE Clc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2[C@@H]2CCCO2)cc1 2331001057 RGWSEOARFMPZRC-SFHVURJKSA-N 433.364 5.611 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(C2CCCC2)n1N=Cc1ccccc1 2331081740 NKSIIWXFGLYOSC-UHFFFAOYSA-N 431.392 6.417 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OC(=O)c1cc(C)cc(C)c1 2331173913 KMIWANCNHGKJEA-UHFFFAOYSA-N 434.919 6.471 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc([N+](=O)[O-])c1OC(=O)Cc1ccccc1F 2331174249 XMMDFGFOJBGFRO-UHFFFAOYSA-N 449.434 5.177 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)C(F)(F)F)c(OC)c2)cc1 2331187031 GGLLJNVTSXEMNR-UHFFFAOYSA-N 428.790 5.111 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)CC(C)(C)C 2331248863 WXKVREIFGHREEK-UHFFFAOYSA-N 435.347 6.630 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)COc1c(C)cccc1C 2331293695 QVOJUZLNOKCEST-UHFFFAOYSA-N 430.500 5.501 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)c1cccs1 2331334945 WWZXLYDWAWVZHN-UHFFFAOYSA-N 426.465 5.328 30 10 IKEE CCc1ccc(C=Nn2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2C(C)(C)C)cc1 2331377168 SCXPOTWNTMIEGN-UHFFFAOYSA-N 449.624 5.368 30 10 IKEE CC(C)Cc1nnc(SCCc2ccccc2)n1N=Cc1ccc(Br)cc1 2331456607 JOECZRZNAIEDJY-UHFFFAOYSA-N 443.414 5.456 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CCC)nnc1SCc1ccccc1Cl 2331652780 CBCXOWUDAXXLJK-UHFFFAOYSA-N 426.973 5.623 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 2331989777 VTHREUWWTCMRFV-JLFWUPFSSA-N 448.563 5.714 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(C)c(C)c(Br)c(C)c1C 2345959298 WQACETKWRBHDOJ-QFBILLFUSA-N 425.411 5.413 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NC)c1cc(Br)cc(OC2CC2)c1 2362708166 KKGNLVUCRPYHHX-RTBURBONSA-N 439.394 5.110 30 10 IKEE Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(Cl)cc2Cl)cc1 21223453 VYBZJYYVDKOCNW-QLXKLKPCSA-N 449.381 7.281 30 10 IKEE CCCCCCCCCC[C@H](C)C(=O)C1=C2C3=COC(C)=CC3=CC(=O)[C@]2(C)OC1=O 58581933 VWGYSDWIZCHBOH-QLXKLKPCSA-N 426.553 5.662 30 10 IKEE biogenic C/C(=N/Nc1nc(SCC(=O)Nc2c(C)cccc2C)n[nH]1)c1ccc2ccccc2c1 59022341 UFMNNMOFDVLLBC-PKAZHMFMSA-N 444.564 5.142 30 10 IKEE O=C1N/C(=N\c2ccc(F)cc2)S/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 59105743 VRFVZIQIQKIZRG-ZDLGFXPLSA-N 443.843 5.539 30 10 IKEE CCCC/C(C)=N/Nc1nc(SCCC(=O)Nc2ccc(Cl)cc2Cl)n[nH]1 59891201 MXEKBYNZGSMQOY-SSDVNMTOSA-N 429.377 5.210 30 10 IKEE CCCCCCCCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(C)cc2C)c1 98021416 AHUKAYBNSUTHKY-SANMLTNESA-N 438.637 6.771 30 10 IKEE C=CCn1c(-c2ccccc2)c(NC(=O)c2ccco2)s/c1=N\c1ccc(OCC)cc1 100242730 PIWVVAJPRBWCKN-QPLCGJKRSA-N 445.544 5.879 30 10 IKEE COc1ccccc1C(=O)Oc1ccc2c(c1C)O/C(=C\c1cn(C)c3ccccc13)C2=O 103024791 QLBSSUNCONHWPN-OYKKKHCWSA-N 439.467 5.331 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C/c2cc(Cl)cc4c2OCOC4)C3=O)cc1 103024937 XZMSGUMZNPEWPN-LSHDLFTRSA-N 448.858 5.350 30 10 IKEE COc1cc(/C=N/Nc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 169878751 GATFKJOOFHTYLH-BRJLIKDPSA-N 435.738 6.680 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2ccc(C)c(C)c2)cc1 169924239 JHTYBRDRUJFPLI-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CCN1C(=S)N[C@@H](c2ccc(Oc3ccc(C(C)(C)C)cc3)cc2)C2=C1CCCC2=O 169933007 NNLMQAPGWOMXNQ-DEOSSOPVSA-N 434.605 6.035 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1c1ccc(C)cc1C 169945227 HBEAQSBFHCJHBX-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2cccc(C)c2)cc1 169971363 QRNUNCGTMNAUKF-JOCHJYFZSA-N 435.426 5.065 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccc(OC(C)C)c2)cc1 169979784 KWVDCKJAULTFRQ-XMMPIXPASA-N 443.499 5.265 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1cccs1)c1cccc2ccccc12 169987823 PLVOJGSBZDSQTJ-QFIPXVFZSA-N 447.462 5.962 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2cccnc2)c1 170002647 PIMXPDYJGQRTQK-DEOSSOPVSA-N 426.516 5.605 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2C2CCCCC2)c1 170039391 MJMMNURLHOAPOM-DEOSSOPVSA-N 449.547 5.313 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1)c1cc2ccccc2o1 170057812 ROKKUHPXGZIAJD-JOCHJYFZSA-N 447.849 6.008 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2ccc(F)cc2)cc1 170061789 MEXGMIACBJMRRI-HSZRJFAPSA-N 431.463 5.180 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(C(C)C)cc2)cc1 170066502 CIXUOGJTMFLVON-ISKFKSNPSA-N 433.548 5.130 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccccc1C 170088265 WIRLMYQTGRDIFM-QHCPKHFHSA-N 449.453 5.373 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2ccco2)cc1 170090908 JIOLOCOCRZPMMN-QFIPXVFZSA-N 445.471 5.089 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2C2CCCC2)cc1 170117069 JVQRYNOUYAHKPB-HSZRJFAPSA-N 435.520 5.003 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@@H]1c1cccc(OC)c1 170120540 BNEJQPZYZKDCDZ-FQEVSTJZSA-N 443.927 5.044 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1cccs1 170155485 HBYZTDUMBKJNCD-JOCHJYFZSA-N 449.547 6.276 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccs2)c1 170156156 KIIHRPXAXKQXHT-JOCHJYFZSA-N 429.497 5.894 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2cccs2)c1 170157216 VQPXUKYXFDBKSH-NRFANRHFSA-N 435.501 5.024 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2cccs2)cc1 170160402 CHQNBEASISLCTE-JOCHJYFZSA-N 449.528 5.334 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccccc2)c1 170225462 UDCMLQDVNWBZNH-SANMLTNESA-N 437.539 5.965 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1ccccc1)c1cccc2ccccc12 170229519 ZOZNBLRPYDPLAD-XMMPIXPASA-N 441.433 5.901 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(F)cc1 170239484 WRGMCLJRCNRWAO-QFIPXVFZSA-N 431.463 5.234 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2F)cc1 170251650 UKMDJHNHTXCJGA-QHCPKHFHSA-N 437.511 5.526 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1Cc1cccs1 170269927 KELGRSLZNINDKA-HSZRJFAPSA-N 447.556 5.622 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccco2)c1 170279116 VXMBYGHFTYIFPP-HSZRJFAPSA-N 447.487 5.248 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccco2)c1 170285757 PFTREBDSWUGVRP-QMHKHESXSA-N 429.472 5.003 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccc(C)o2)cc1OC 170301683 XFCDKNXQJLIYIK-QHCPKHFHSA-N 447.487 5.005 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2c2ccccc2)o1 170302908 NTKKGOUTAZUQJT-HSZRJFAPSA-N 431.488 5.467 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccc(C)o2)cc1 170303722 QYKXRYKCLUXDKT-HSZRJFAPSA-N 431.488 5.467 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 170342370 VACODEYEENEMOT-HSZRJFAPSA-N 430.504 5.217 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(C(C)(C)C)cc1 170467558 OFAAFWVOYPXEBU-XMMPIXPASA-N 449.547 5.271 30 10 IKEE O=C(c1ccccc1)c1ccc(NN=C2C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 252622808 ODDILOYPALKKQE-UHFFFAOYSA-N 444.494 5.137 30 10 IKEE C=CCn1c(SCC(=O)OC/C=C/c2ccccc2)nnc1-c1cccc(Cl)c1 253559980 AFSOXYBUDZUQHE-JXMROGBWSA-N 425.941 5.133 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2O[C@H](C)CC)cc1 253561446 CCYOCMCYRGDXNQ-QMHWCDLVSA-N 447.575 5.657 30 10 IKEE CCC(=O)OCCCCSc1nnc(N/N=C/c2c3ccccc3cc3ccccc23)[nH]1 253571076 OMDOVSBWPKFLKT-PCLIKHOPSA-N 447.564 5.383 30 10 IKEE CCCCCCCCCCCCOc1ccc(N=Cc2ccc(C(=O)O)cc2)cc1F 254291700 MVARNMSEZDILHR-UHFFFAOYSA-N 427.560 7.574 30 10 IKEE CCN1/C(=C2\SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)Sc2ccccc21 254292960 DGGWKBKZPUJPPX-CJKMRZRNSA-N 443.597 6.251 30 10 IKEE CCc1ccc(N=C2S/C(=C/c3ccc(F)cc3)C(=O)N2c2ccc(CC)cc2)cc1 254556046 YDCLQDJDJSNFFE-KISRHMMLSA-N 430.548 6.759 30 10 IKEE COc1ccccc1N=C1S/C(=C\c2ccc(O)cc2)C(=O)N1c1ccccc1OC 254557623 KPNMKLBBPBUSOP-IBORXNHRSA-N 432.501 5.218 30 10 IKEE Cc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 526490207 FJSYIEVBFBDAOK-JOCHJYFZSA-N 435.310 6.231 30 10 IKEE Cc1ccsc1[C@@H]1C(c2ccc(Cl)c(Cl)c2)=C(O)C(=O)N1c1ccccc1C#N 526607496 RFQNJZYPHPJOIM-IBGZPJMESA-N 441.339 6.292 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1ccc(O)c(Br)c1 526802413 HKHVINKJQWBDQI-JJFYIABZSA-N 449.349 5.012 30 10 IKEE Cc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1ccc(Cl)c([N+](=O)[O-])c1 526804980 BKZJGQGDZZIFNQ-FMCGGJTJSA-N 443.960 5.620 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1ccc(Cl)cc1Cl 526808023 ACMVNJGZJDESFL-CFRMEGHHSA-N 433.408 6.410 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccccc1OCCC 526812777 LFCNGLYQDIHDLV-XYGWBWBKSA-N 443.016 6.237 30 10 IKEE Oc1ccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2cccc(Cl)c2)cc1 526812981 ULWYJQLAZVUBRD-QQXSKIMKSA-N 448.979 5.597 30 10 IKEE COc1ccc2ccccc2c1/C=N\n1cnnc1SCc1c(Cl)cccc1Cl 526813713 CFRJCTPJAXPVJG-GATIEOLUSA-N 443.359 5.921 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1c[nH]c2ccccc12 526814883 PZWINCRXTKLTDG-MYKKPKGFSA-N 430.364 5.803 30 10 IKEE CCCCCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccccc2Cl)cc1 526816575 KEFVXCLCSKLKQJ-XYGWBWBKSA-N 443.016 6.237 30 10 IKEE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1scc(-c2ccc(F)cc2)c1C#N 526914349 YKZKPCXXQJGSAL-LLVKDONJSA-N 435.307 6.139 30 10 IKEE C=CCN(CC=C)C(=O)Nc1cccc(OC(=O)C(c2ccccc2)c2ccccc2)c1 586520018 KBGSHFJWJGQXJU-UHFFFAOYSA-N 426.516 5.630 30 10 IKEE N#Cc1c(N=C/C(Br)=C/c2ccccc2)oc(-c2ccco2)c1-c1ccco1 606347938 SIASYCLQGUBGGE-OOCUIMHWSA-N 433.261 6.810 30 10 IKEE COc1ccc2nc(N3CCCCC3)c(/C=C\C(=O)C34CC5CC(CC(C5)C3)C4)cc2c1 606442367 KPDDNXPKKAJZOT-YVMONPNESA-N 430.592 6.032 30 10 IKEE CC(C)(C)OC(=O)N(C[C@H]1CCCO1)[C@H](C#N)c1ccc(Br)cc1Cl 698467303 BQIORSAMFODRLC-CZUORRHYSA-N 429.742 5.083 30 10 IKEE N#Cc1nc(-c2cccc(Br)c2)c(-c2cccc(Br)c2)nc1C#N 725332087 GIOJVUPNUGVEGP-UHFFFAOYSA-N 440.098 5.079 30 10 IKEE O=C(Nc1ccccc1)c1c(N=Cc2ccc(N3CCCCC3)o2)sc2c1CCCC2 1084606637 DNIHJKVUBUSIQB-UHFFFAOYSA-N 433.577 6.213 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(N(C)C)cc2)SC1=Nc1nc(-c2ccccc2)cs1 1772735687 HUPGDYUIOTURMO-POLMPROESA-N 446.601 5.666 30 10 IKEE Cc1c(C(=O)N2CCCC[C@H]2C)oc2c1C(=NNc1cccc(C(F)(F)F)c1)CCC2 1772750610 DTQPTIWHLFUPMR-CQSZACIVSA-N 433.474 5.774 30 10 IKEE N#Cc1c(-c2ccccc2)ccnc1NCc1ccc(-c2nc(-c3ccccc3)cs2)cc1 1859798971 SERMPKGMNWSVPZ-UHFFFAOYSA-N 444.563 7.023 30 10 IKEE N#Cc1cccc(C(=O)N2CCC(c3ccc(OC(=O)CC4CCCCC4)cc3)CC2)c1 1860706032 UQSYFSRNSYCKCX-UHFFFAOYSA-N 430.548 5.454 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@@H]2c2ccccc2C(=O)O)cc1 1862395158 NIJQJBKMFHBXRL-JOCHJYFZSA-N 435.520 5.106 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc2cc[nH]c2c1)c1ccc(F)cc1F 1862415447 XLDTWWKCNUHNQA-QHCPKHFHSA-N 444.437 5.225 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1cccc(OCC)c1 1862418543 JIIAAXBSTOMNDS-OAQYLSRUSA-N 429.463 5.132 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc(OC)c1 1862476863 PRLHWVKOJKXQNW-XMMPIXPASA-N 435.564 5.942 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2ccc(CC)cc2)cc1 1862530578 SQBSITLILGNPMV-AREMUKBSSA-N 439.555 5.898 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(F)cc2)cc1 1862614435 ARRVLYJUKMOFGD-QHCPKHFHSA-N 444.506 5.297 30 10 IKEE O=C(C1=C(O)C(=O)N(CCOc2ccccc2)[C@H]1c1ccccc1)c1cccc2ccccc12 1862649235 SXYJIYNQLJOWNX-SANMLTNESA-N 449.506 5.497 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(C(=O)O)cc1 1862653691 GTZIEQSTHTUWFX-QHCPKHFHSA-N 443.499 5.162 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(F)cc2F)cc1 1862660244 HTXBETFZHHXVFD-JOCHJYFZSA-N 425.475 5.609 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2ccccc2)cc1 1862660475 LTJZSEIJBGEXDN-QHCPKHFHSA-N 431.557 5.693 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccccc1C 1862660531 NLZNNZBXCPKHLW-VWLOTQADSA-N 449.591 5.904 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCCOC(C)C)c1 1862661940 YDPNLCRJFMHLIQ-XMMPIXPASA-N 435.564 5.512 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C34CC5CC(CC(C5)C3)C4)[C@H]2c2ccccc2)cc1 1862686704 CGMNCMSSHPUYAK-GETQMSEISA-N 443.543 5.242 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccc(F)c1 1862724702 RSJREZLIOWFMBX-DEOSSOPVSA-N 429.491 5.871 30 10 IKEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccc(Cl)c1 1862725748 QYORYPNJFGMGDS-HSZRJFAPSA-N 447.918 5.232 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2C2CCCCCCC2)c1 1862736869 PLHNMCBRDQRFEN-HSZRJFAPSA-N 448.519 5.594 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cccc2ccccc12)c1cccc([N+](=O)[O-])c1 1862738196 VUXHKKOLULDBTR-HSZRJFAPSA-N 442.471 5.269 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(OC)cc2)=C(c2ccc(F)cc2F)C1=O 1863308554 PFWDTKFSCHBIRW-UHFFFAOYSA-N 442.506 5.526 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(C)cc2)=C(c2ccc(OC)cc2)C1=O 1863327132 MDKHHBZXDWEQMW-UHFFFAOYSA-N 448.607 6.336 30 10 IKEE CCCCCCCCCCNC1=C(c2cc(C)ccc2C)C(=O)N(Cc2ccncc2)C1=O 1863737260 YJQRMSPSPUGDHU-UHFFFAOYSA-N 447.623 5.709 30 10 IKEE CC[C@@](C)(NC(=O)C[C@@H](c1ccc(Cl)cc1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866753688 AVGXKYMLZUTTHD-ZJSXRUAMSA-N 425.960 5.265 30 10 IKEE CC(C)c1nc(Nc2ccccc2C#N)cc(N2C[C@H](C)N(c3ccccc3)[C@@H](C)C2)n1 1868237653 BLFYFTHUMZWAFO-PMACEKPBSA-N 426.568 5.319 30 10 IKEE C=CCn1cc(OCC(=O)Nc2ccc(CCCC)cc2)c(=O)cc1CSC(C)(C)C 1870200857 PYXCGIWTFBUYKS-UHFFFAOYSA-N 442.625 5.426 30 10 IKEE C=CCOc1cn(Cc2cccc(C)c2)c(CSCCc2nc3ccccc3[nH]2)cc1=O 1870244419 OFQYDENIXXCFHY-UHFFFAOYSA-N 445.588 5.122 30 10 IKEE C#CCOc1cn(Cc2ccccc2C)c(CSc2nc3ccccc3s2)cc1=O 1870300716 RHBBQNFUNMIYEU-UHFFFAOYSA-N 432.570 5.119 30 10 IKEE CCCCCCCOc1cn(CCCN(C)C)c(CNc2cc(C)ccc2C)cc1=O 1870837441 GJXDSOVMSXFGAP-UHFFFAOYSA-N 427.633 5.378 30 10 IKEE C=CCn1cc(OCCCc2ccccc2)c(=O)cc1CNc1ccc(N(CC)CC)cc1 1871137836 SIUQJENRRSCVAY-UHFFFAOYSA-N 445.607 5.504 30 10 IKEE Cc1ccc(CCN2COc3c(cc4c(c3C)O/C(=C\c3ccc(F)cc3)C4=O)C2)cc1 1871359549 PXDVRRVAWZTXKR-CFRMEGHHSA-N 429.491 5.453 30 10 IKEE Cc1c(O[C@H](C)C(=O)Nc2ccccc2)ccc2c1O/C(=C\c1ccccc1Cl)C2=O 1871404471 LQEZJLLJFSBDTD-LRSOKBAUSA-N 433.891 5.671 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)c(C)c1 1871418820 PGURJRIJSBTBPQ-FMCGGJTJSA-N 433.891 5.591 30 10 IKEE COc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2)C3=O)cc1Cl 1871453154 JPXRLTMBPQWJRR-UUYOSTAYSA-N 449.890 5.291 30 10 IKEE Cc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 1872760098 HGDPTSGOYVOHKO-QHCPKHFHSA-N 426.541 6.307 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(Oc4ccccc4)c3)n2)cc1 1872764714 VXEPLMTVQPGUCD-QFIPXVFZSA-N 426.497 6.101 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)COc3c(C)ccc(C)c3C)n2)cc1 1872770423 SXSVXKJIWHCIRA-OAQYLSRUSA-N 434.561 5.779 30 10 IKEE Cc1csc([C@H](C#N)C(=O)c2cccc(N3COc4ccc5ccccc5c4C3)c2)n1 1872789629 OXBZZNCDOXELQM-OAQYLSRUSA-N 425.513 5.451 30 10 IKEE CCCCCCCCCCNc1ncnc2c1ccc(=O)n2-c1cccc(C(F)(F)F)c1 1873537847 KDZJHHHQDHPBHK-UHFFFAOYSA-N 446.517 6.352 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccccc1Cl 1874214228 BOSUQIMEEKZFCC-BUVRLJJBSA-N 449.407 5.981 30 10 IKEE Cc1ccc(C)c(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2)c1C 1874255112 KVQGBMDCRJSZJU-JVWAILMASA-N 442.588 5.957 30 10 IKEE C=CCSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1ccc(OCC)cc1 1874258670 CIOOCDFFBGJZTN-KOEQRZSOSA-N 436.581 5.369 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(COc3ccccc3Cl)nnc2SC)cc1 1874265714 KUTAKCOVBDSZSQ-BUVRLJJBSA-N 444.988 5.684 30 10 IKEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc(OCC)cc1 1874283656 SMXSGHGGKVMOMA-LFVJCYFKSA-N 426.973 5.276 30 10 IKEE COc1ccccc1CCc1nnc(SCc2ccccc2C)n1/N=C/c1cccs1 1874311956 XRFSKGOVHTYYDH-PCLIKHOPSA-N 448.617 5.616 30 10 IKEE Cc1ccc(/C=N/n2c(Cc3ccc(C)c(C)c3)nnc2SCc2cccc(F)c2)cc1 1874356980 JZKPSPAWJNLJMK-LQKURTRISA-N 444.579 6.108 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2ccccc2)n1/N=C/c1cccc(Cl)c1 1874398901 UBCMENQNKHYPJS-WPWMEQJKSA-N 447.007 6.200 30 10 IKEE Cc1cccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccc(Cl)cc2)c1 1874404915 WFKCBDQVDFQKSR-WPWMEQJKSA-N 447.007 6.200 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2-c2ccccc2)c1 1874425344 CZXVVPKIICSXAN-YZSQISJMSA-N 428.561 5.827 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2ccccc2[N+](=O)[O-])cc1 1874425737 XRZKNRJFFUWDEU-BUVRLJJBSA-N 429.505 5.336 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2Cl)n1/N=C/c1c[nH]c2ccccc12 1874438339 AWGWJHWJMRPMPH-VULFUBBASA-N 438.000 6.176 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2cccc(C)c2)nnc1[C@H]1CCCO1 1874448114 UCJMRMIYNZOZEQ-NJRDNMGOSA-N 434.565 5.177 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2C2CCCC2)c1 1874456040 XRNFPHLORNHCQY-WPWMEQJKSA-N 448.636 6.516 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2c(Cl)cccc2Cl)nnc1C1CCC1 1874496665 XYWKXSSUGSKTED-WYMPLXKRSA-N 447.391 6.036 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccccc2OCC(=O)Nc2c(C)cccc2C)c(C)c1 1874590088 SDBIZHXMMLSYKC-BUHFOSPRSA-N 427.544 6.142 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccc(C)cc3C)c2)cc1 1874595796 DRBYCCLMONINIE-OQLLNIDSSA-N 443.543 6.006 30 10 IKEE CCCN(CCC)C(=O)COc1cccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1 1874595854 AHFRVFMNIJSSIH-DHZHZOJOSA-N 434.363 5.917 30 10 IKEE CCCOc1c(OC)ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1Br 1874596060 FPTYMOIATMCPDE-VMPITWQZSA-N 444.152 6.449 30 10 IKEE Cc1cccc(NC(=O)COc2cccc(/C=C/C(=O)c3cccc4ccccc34)c2)c1C 1874597243 BBBVOLQWXUMCSD-WUKNDPDISA-N 435.523 6.370 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2cccc(/C=C/C(=O)c3ccc(C(C)C)cc3)c2)c1 1874597780 DLWPVEXTVGSSOT-XNTDXEJSSA-N 427.544 6.340 30 10 IKEE Cc1ccccc1NC(=O)COc1cccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)c1 1874599751 BWMSQNHLQBKKMU-JQIJEIRASA-N 441.571 6.515 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cccc(C)c3C)c(Cl)c2)cc1 1874604674 ZPFTYTSVJVAWAZ-GXDHUFHOSA-N 447.962 6.433 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1cccc(C)c1 1874613132 DSVROTMOQHQVFW-IZZDOVSWSA-N 427.327 6.786 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc([N+](=O)[O-])c1OCc1ccccc1F 1874618186 NZRIPVDBKWXJLY-VAWYXSNFSA-N 449.478 6.225 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1 1874622392 WHXAYAOQIVRGTN-CXUHLZMHSA-N 439.382 7.766 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OCc1cc(C)ccc1C 1874624022 HUCCAHGKIVPRMA-OQLLNIDSSA-N 428.572 7.301 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OCC(=O)Nc1ccccc1C 1874627848 ZIRJICKLYDLFRI-YRNVUSSQSA-N 437.442 5.195 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OCc2c(F)cccc2Cl)cc1 1874638752 PYSCWOGTORWWSQ-YRNVUSSQSA-N 431.290 6.616 30 10 IKEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3cc(Cl)ccc3OC)cc2)o1 1874638877 WXJFIGADHVXTOK-BJMVGYQFSA-N 426.852 5.203 30 10 IKEE CCCCC(=O)Oc1cc(/C=C/C(=O)c2ccc(C)cc2)c(Br)cc1OC 1874703060 XHRPWTKDAJEDNF-VAWYXSNFSA-N 431.326 5.758 30 10 IKEE Cc1cc(C(=O)/C=C/c2cccc(OC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)c2)ccc1F 1874703926 ODZVOWDDSDQWNB-HEBQGLKUSA-N 434.894 6.393 30 10 IKEE COc1ccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3cc(C)ccc3OC)c2)cc1 1874704755 YXZXORQXEJSJOK-GXDHUFHOSA-N 430.500 5.447 30 10 IKEE COc1ccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3c(C)cc(C)cc3C)c2)cc1 1874716131 CLGHLZSKTBYKGA-GXDHUFHOSA-N 428.528 6.055 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)cc3F)c(OC)c2)cc1 1875101111 KDICDUBMFYZVBN-WUXMJOGZSA-N 436.454 5.580 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(Cl)c1OC(=O)c1ccncc1 1875112734 IELZHPUWRHLMHP-RUDMXATFSA-N 437.879 5.258 30 10 IKEE O=C(Cc1cc(Cl)ccc1Cl)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1 1875123313 ZQXGFRNSECDWAR-KGVSQERTSA-N 445.729 6.691 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OC(=O)Cc1cccs1 1875127253 VMKJFJBVDQSWKV-ZHACJKMWSA-N 426.921 5.844 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 1875128763 SZYUZOIZACSGLY-XYOKQWHBSA-N 441.310 6.507 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OCC)cc3)cc2)cc1 1875129494 FMCWOMZMSYAEIF-VXLYETTFSA-N 444.527 5.918 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)cc3)c(Cl)c2)c(C)c1 1875131823 PSGZWSARJCFWNX-NYYWCZLTSA-N 425.311 6.726 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(OC)c(OC(=O)c2ccccc2C)c(OC)c1 1875143947 YPEFKPYVWYXJNP-VAWYXSNFSA-N 446.499 5.445 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)ccc1OC(=O)c1ccc(C)c(C)c1 1875152586 WRLYZGUTMUFLCG-YRNVUSSQSA-N 448.490 5.965 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)CCCSC 1875155459 FQFPCFAEPYNQLW-MDWZMJQESA-N 442.577 5.772 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)Cc1ccccc1 1875155732 RFVLAUMUUNXJEO-XNTDXEJSSA-N 444.527 5.871 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)c1sccc1C 1875176486 GAELKIHCLHQXRM-PKNBQFBNSA-N 446.568 6.526 30 10 IKEE C=C(COC(C)C)C(=O)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875685460 DKUHJIMVQIGZIK-MUUNZHRXSA-N 446.543 5.428 30 10 IKEE CC[C@]1(C)N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1887216756 IFVAWSVKEJTAGQ-DQEYMECFSA-N 443.588 5.496 30 10 IKEE O=C(Nc1cc(C(F)(F)F)ccc1F)N1CC[C@@H](Cc2ccc(C(F)(F)F)cc2)C1 1891370404 FRQKXRLMTMDTED-ZDUSSCGKSA-N 434.355 5.960 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCC(C)(C)C[C@H]1CNC(=O)OC(C)(C)C 1927164489 GWDKOKFPJVJHFV-MHECFPHRSA-N 437.625 5.493 30 10 IKEE N#Cc1ccc([C@@H](CCNC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)O)s1 1951949873 RTRMLYITWLKOMK-INIZCTEOSA-N 446.528 5.107 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)C1(C)C 1988069753 ASMMVOLUMHDTMZ-QFIPXVFZSA-N 435.952 5.373 30 10 IKEE CC(C)(C)OC(=O)N(C1CCC1)C1(C#N)CCC2(CCCN2C(=O)OC(C)(C)C)CC1 2002572940 TVGHPIHYHKSMDB-UHFFFAOYSA-N 433.593 5.382 30 10 IKEE C=CCCCCCCCC[C@@H](NC)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2026309607 GVILAKLBVKTPMZ-RPWUZVMVSA-N 432.649 5.991 30 10 IKEE C#CC[C@H](C)C[C@@H](NCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2076084393 KLZAGRCFUXQOAG-WNCULLNHSA-N 427.588 6.545 30 10 IKEE Cc1ccc([C@@H](C(C)C)n2nc(C3CCC3)c(C#N)c2I)c(F)c1 2079080738 NYUSUDOGSRLYKX-GOSISDBHSA-N 437.300 5.320 30 10 IKEE Fc1ccc(C(F)(F)F)cc1-c1c(C(F)(F)F)nn(C(F)(F)F)c1Br 2080877170 NMIPCJSMVIUPCL-UHFFFAOYSA-N 445.054 5.966 30 10 IKEE CC(C)C[C@H]1CNCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2149841917 JDDIHJMXMIGCQF-HRAATJIYSA-N 436.394 5.109 30 10 IKEE CCCN[C@H](C#CP(C)(C)=O)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2225396759 KDCHXHDYIVRGLL-QGZVFWFLSA-N 443.322 5.420 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(C)CN(C(=O)OC(C)(C)C)CC1(F)F 2252929754 VGNGVHJPTBRYBU-NZQKXSOJSA-N 438.559 5.020 30 10 IKEE C=C1C[C@H]1C[C@@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2262969015 JEKXTZVBKBGODT-AHKZPQOWSA-N 429.560 5.827 30 10 IKEE C[C@H](N(Cc1ccccc1)C(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1)C(C)(C)C 2266986901 RUBRVGGBOURPDA-SFHVURJKSA-N 439.380 5.202 30 10 IKEE Cc1cc(F)c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)c(F)c1 2283414745 RXNRVDJHGYWBOP-QGZVFWFLSA-N 437.284 6.042 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(Br)cccc2C#N)C(F)(F)CC1 2285173764 XLVOLHJUYNDTFV-OAHLLOKOSA-N 444.320 5.158 30 10 IKEE O=C(C=Cc1ccccc1)C[C@]1(O)C(=O)N(Cc2cccc3ccccc23)c2ccccc21 2294359363 FQTBATMWPPXGOH-GDLZYMKVSA-N 433.507 5.247 30 10 IKEE COc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 2296110666 VHZOHYRWKVKIDZ-DEOSSOPVSA-N 445.902 5.531 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)CN(C(=O)OC(C)(C)C)[C@H](C)CC 2296299727 YSXAGWKEEWZXSZ-YLJYHZDGSA-N 437.422 5.204 30 10 IKEE COc1c(C=Nc2cccc3ccccc23)cc(C)cc1C=Nc1cccc2ccccc12 2297672224 SNRYWPZKLRKSQQ-UHFFFAOYSA-N 428.535 7.811 30 10 IKEE C=CCC(CC=C)[C@@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 2301037771 STUVAMWUMFCPGJ-BJKOFHAPSA-N 430.633 5.623 30 10 IKEE C=Cc1ccc(COc2ccc3c(c2)OC(=Cc2ccc(Br)cc2)C3=O)cc1 2314437340 JYTUPGJIEZGABJ-UHFFFAOYSA-N 433.301 6.287 30 10 IKEE COc1ccc(C=C2SC(=Nc3cccc(C)n3)N(C3CCCCC3)C2=O)c(OC)c1 2314540534 SGYGMZCFXCJGHZ-UHFFFAOYSA-N 437.565 5.344 30 10 IKEE Cc1ccccc1COc1ccc(C=Nn2c(S)nnc2[C@H](C)c2ccccc2)cc1 2321962041 CAIVPWOWJIQNRO-LJQANCHMSA-N 428.561 5.488 30 10 IKEE Sc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc(Br)cc1 2322206883 JYAXQKZSTYROPY-UHFFFAOYSA-N 437.366 5.150 30 10 IKEE O=C(C=Cc1c(OCc2ccccc2Cl)ccc2ccccc12)c1ccc(F)cc1F 2322498617 QXWNWILIZXSJRX-UHFFFAOYSA-N 434.869 7.247 30 10 IKEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1ccc(F)cc1F)Nc1ccccc1 2322502068 FYRMHNVQIQRZBS-UHFFFAOYSA-N 427.834 5.532 30 10 IKEE COC(=O)c1ccc(COc2ccc(Cl)cc2C=CC(=O)c2cccc(Cl)c2)o1 2322527748 FCOZZUJTQNUCGN-UHFFFAOYSA-N 431.271 5.848 30 10 IKEE CCCCCCCCCOc1ccc(C=NNc2cccc(C(=O)O)c2)cc1OCC 2322922943 LUBMVMFPBKCXCO-UHFFFAOYSA-N 426.557 6.359 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2Cl)cc1OCC(=O)N[C@@H](C)c1ccccc1 2323087222 VFJUMOHDHIOISZ-SFHVURJKSA-N 449.934 5.501 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2Cl)cc1OCC(=O)Nc1ccccc1C 2323087226 XHMGQXAMOWBPDH-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C=Cc1cccc(Cl)c1 2323176776 IFNROVUIUIRKNK-XMMPIXPASA-N 441.015 5.557 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1 2323193961 OUHNRRZNXFBNOY-UHFFFAOYSA-N 439.382 7.766 30 10 IKEE CCCOc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2)C3=O)cc1 2323460260 OVPAFVNOUQLHFH-UHFFFAOYSA-N 426.468 5.710 30 10 IKEE CCCOc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C)cc2)C3=O)cc1 2323827354 XSSVRFUPCTUCOG-UHFFFAOYSA-N 428.484 5.928 30 10 IKEE CC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(C)c2)C3=O)c1 2323900864 HAAMGAMUMBKWER-UHFFFAOYSA-N 428.440 5.064 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3c(CN4CCC[C@H](C)C4)c(O)cc(C)c3C1=O)cn2C 2324066978 NYNSLFMSBLMLKB-INIZCTEOSA-N 446.547 5.049 30 10 IKEE C=CCOc1c(Cl)cc(C=CC(=O)c2cc(Cl)c(OC)cc2OC)cc1OCC 2324426358 MYBHNOYKUGLTJY-UHFFFAOYSA-N 437.319 5.870 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2F)C3=O)c1 2324456126 ZDDIRXHIXFQAAU-SFHVURJKSA-N 445.490 5.773 30 10 IKEE COc1cccc(C=C2Oc3cc(OCc4ccc(C(=O)OC(C)C)o4)cc(C)c3C2=O)c1 2325387701 BOWITTSSUUPMFV-UHFFFAOYSA-N 448.471 5.357 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCc4ccc(C(=O)OC(C)C)o4)cc(C)c3C2=O)cc1 2325387702 BWCKFVZZQIXZPJ-UHFFFAOYSA-N 432.472 5.657 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(OC)cc3)c2)cc1 2325710134 VWDQHPRQDWTHFI-UHFFFAOYSA-N 444.527 6.162 30 10 IKEE Cc1cc(Cl)ccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccccc1)C2=O 2325716516 NVEYXMIDFAKVNU-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)c2)cc1 2325719723 ZMFBJBGQUGGRJR-DHIUTWEWSA-N 432.903 5.954 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OC(=O)Cc1ccc(C)c(C)c1 2325739619 MNCBYXMGHDMCBD-UHFFFAOYSA-N 428.528 5.973 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OC(=O)Cc1ccc(F)cc1F 2325759731 WTHJKFKPQXIJHE-UHFFFAOYSA-N 436.454 5.634 30 10 IKEE CCc1ccc(C(=O)Oc2cccc(C=CC(=O)c3cc(Cl)cc(C)c3OC)c2)cc1 2325764113 SQRYYZAVLFTXLX-UHFFFAOYSA-N 434.919 6.335 30 10 IKEE C=CCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccccn1 2325812432 MTCHRFZMPCSJNR-UHFFFAOYSA-N 441.988 5.115 30 10 IKEE C=C(C)CSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1ccc(O)cc1 2325912489 ISUBTGBOGNAGNS-UHFFFAOYSA-N 449.363 5.420 30 10 IKEE CCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1ccc(OC(C)C)cc1 2326323709 HMWSSWZWASLBFN-UHFFFAOYSA-N 436.625 6.100 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2C)n1N=Cc1cc(Cl)ccc1O 2327117211 PPYADRMKSGKJHE-UHFFFAOYSA-N 442.972 5.117 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2Cl)n1N=Cc1ccccc1OC 2327649206 QGSYFIGSSULKOS-UHFFFAOYSA-N 428.945 5.070 30 10 IKEE Cc1ccc(C)c(CSc2nnc(COc3cccc(C)c3C)n2N=Cc2ccco2)c1 2328848181 LPVGKDBGCYTZAE-UHFFFAOYSA-N 446.576 5.858 30 10 IKEE CCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc(N(CC)CC)cc1 2329093432 JMBVZVMAOWQPII-UHFFFAOYSA-N 428.005 5.363 30 10 IKEE Cc1ccc(C=Nn2c(SCC(=O)Nc3cccc(C)c3)nnc2-c2cccs2)cc1 2330545699 JJTMJADTEPPZMV-UHFFFAOYSA-N 447.589 5.236 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccccc3)nnc2-c2ccccc2)c(OC)c1 2330671438 RVTZKEMPIPSKRQ-UHFFFAOYSA-N 430.533 5.137 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc(F)c2)n1N=Cc1ccccc1[N+](=O)[O-] 2330824339 LZSAHDSADMNHIX-UHFFFAOYSA-N 427.505 5.089 30 10 IKEE CCCCC(=O)Oc1c(OCC)cc(C=CC(=O)c2ccc(OC)c(C)c2)cc1[N+](=O)[O-] 2330873295 MMZLWERJXNTDQZ-UHFFFAOYSA-N 441.480 5.302 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2Cl)cc(OC)c1OC(=O)CC(C)(C)C 2330949114 MDHHHNAUDNDQRO-UHFFFAOYSA-N 426.940 6.315 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2ccccc2)cc1C 2331029815 DCUAZKPNEARISG-UHFFFAOYSA-N 433.581 5.166 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)c2ccco2)c(Br)c1 2331063957 XACVCDXPKCVVFX-UHFFFAOYSA-N 427.250 5.166 30 10 IKEE Cn1cccc1C=Nn1c(SCc2ccc(Cl)c(Cl)c2)nnc1C1CCCC1 2331093062 HONVDEXEBBTGCD-UHFFFAOYSA-N 434.396 5.756 30 10 IKEE O=C(COc1ccccc1)Oc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1 2331239760 WTXVZLLYRHEBKD-UHFFFAOYSA-N 427.283 5.874 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1ccccc1Cl 2331259835 HOCXKMAVUKRLMC-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2Cl)cc1 2331319620 QIPKQQYDAAHUEB-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(C)c3)cc2OCC)c1 2331345777 XKMXQSVSZDWBOV-UHFFFAOYSA-N 448.490 6.047 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SCC(=O)OCCC)nnc2C2CCC2)cc1 2331546486 WTKHKZBOPDASFU-UHFFFAOYSA-N 444.601 5.042 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)CC1CCCCC1 2331711411 DRHXXRNVAOBYHT-UHFFFAOYSA-N 446.587 6.812 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1 2331764330 DJRVPCIDNIPAJG-UHFFFAOYSA-N 434.919 6.389 30 10 IKEE CCCCC(=O)Oc1c(OC)cc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1OC 2331859951 OMQOSXJMDRCGBJ-UHFFFAOYSA-N 437.319 6.002 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2ccc(C#N)c(Br)c2F)C[C@@H]2CCC[C@@H]21 2360225298 QHRKHTMPXNQUMW-NOLJZWGESA-N 438.341 5.050 30 10 IKEE C=CCn1c(S[C@@H](C)c2nc(C(C)C)no2)nc2sc(-c3ccccc3)cc2c1=O 27777522 OCQCVAIUNWKGKN-AWEZNQCLSA-N 438.578 5.671 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O)c1ccccc1Br 33367544 BOZDUWYGHPCWEK-JAIQZWGSSA-N 439.236 5.424 30 10 IKEE O=C(/C=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc(Br)cc1 33423962 OVDDNJCFQQDCSQ-TWGQIWQCSA-N 432.657 6.167 30 10 IKEE Cc1ccc(CN2C(=O)[C@@](O)(CC(=O)/C=C\c3ccccc3)c3cc(Cl)ccc32)cc1 34707183 ZDYOQYKUGJUPFX-LHPDUPQPSA-N 431.919 5.055 30 10 IKEE CCCCCCn1c(O)c(C(=O)c2sc3ccccc3c2Cl)c(C)c(C#N)c1=O 38627041 VEHUDOVLBQXXCA-UHFFFAOYSA-N 428.941 5.413 30 10 IKEE O=C1/C(=C/c2ccc(Br)cc2)S/C(=N/c2ccccn2)N1C1CCCCC1 39863059 STOHCLFTUZVWCH-FGJAPUQFSA-N 442.382 5.781 30 10 IKEE COc1ccc(CCN2COc3c(cc4c(c3C)O/C(=C\c3cccs3)C4=O)C2)cc1 41587009 RTMNAMALWAJCFD-XKZIYDEJSA-N 433.529 5.076 30 10 IKEE C=C(C)COc1ccccc1NCC(=O)Nc1ccccc1OCCCc1ccccc1 66062840 MQLXZMYKQXPCPP-UHFFFAOYSA-N 430.548 5.704 30 10 IKEE CCCCCCCCCCCCC(CBr)CCCCCCCCCCCC 97978488 YRISMSKJSHNCPF-UHFFFAOYSA-N 445.614 10.620 30 10 IKEE in-vitro CCCCCCCOc1ccc(NC(=O)N2c3ccccc3Sc3ccccc32)cc1 100155382 MEEQQUOZZDNGLW-UHFFFAOYSA-N 432.589 7.871 30 10 IKEE CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N/[C@@H](C)c1ccccc1 102153720 MADKRYSQLQJOKH-SNSVZMLMSA-N 425.579 5.119 30 10 IKEE CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(Cl)cc2)cc1 102484837 YNCMWBGODJXPGF-RKKARLDVSA-N 448.906 5.150 30 10 IKEE CCOC(=O)Cc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2N2C[C@]3(C)C[C@@H]2CC3(C)C)cc1 103763149 PRFDXCCEZWDLIP-PPSOUTTJSA-N 449.551 5.466 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccccc2C)cc1 169926475 WSGPDIRVEWZMPE-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccc(C)c(C)c2)c1 169932595 ZDZBWPYCSYTBCH-VWLOTQADSA-N 441.527 5.712 30 10 IKEE CCN1C(=S)N[C@H](c2cc(Cl)c(OCC(C)C)c(Cl)c2)C2=C1CCCC2=O 169932978 ULRBHXCYTITICZ-GOSISDBHSA-N 427.397 5.286 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2cc(C)ccc2C)c1 169933239 SSEKULGPCRDPQT-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2ccc(C)cc2)c1 169934965 ZNENSGYDSQKRNP-XMMPIXPASA-N 443.499 5.104 30 10 IKEE O=C1CCCC2=C1[C@H](c1ccc(OCc3c(Cl)cccc3Cl)cc1)NC(=S)N2 169938905 IREYOQFAHGIWCO-FQEVSTJZSA-N 433.360 5.098 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2cc(C)ccc2C)=C(O)C(=O)N1c1cc(C)ccc1C 169943651 OHOHLMGHECETPH-VWLOTQADSA-N 441.527 5.712 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccc(N(C)C)cc2)cc1 169952972 RORQDACJVFQRFS-DEOSSOPVSA-N 426.516 5.152 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2cccnc2)ccc1F 170006224 KHRDXSHFEWMHNA-NRFANRHFSA-N 436.870 5.274 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccccc1 170052285 LOXOHVPKAPNQGE-QHCPKHFHSA-N 443.886 6.178 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1cccc(O)c1)c1cccc(Cl)c1 170082226 NIQCFJAWBIYOKT-FQEVSTJZSA-N 441.817 5.107 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@H]1c1ccco1)c1ccc(Cl)cc1 170092569 HNDQRBGMPGJLMM-SFHVURJKSA-N 432.234 5.508 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)c(C)cc4[nH]3)[C@H]2c2ccco2)cc1 170098799 UHYVOEHVOAUVMP-QFIPXVFZSA-N 441.487 5.118 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2cccc(C)c2)cc1C 170141433 LGPUQSZTSSDZLB-XMMPIXPASA-N 443.499 5.191 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2cccs2)cc1C 170158103 WLDRMSNCZXTPRH-HSZRJFAPSA-N 447.556 5.935 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1cccs1)c1ccc2ccccc2c1 170167060 DRZXPDVZSXHHHM-HSZRJFAPSA-N 443.499 5.819 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cc(C)cc(C)c3OC)=C(O)C(=O)N2C2CCCC2)cc1 170214638 AENJDWPTQFUYNE-QHCPKHFHSA-N 449.547 5.232 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc(OCC(C)C)c1 170219023 KQPUDUMZDDSMDU-RUZDIDTESA-N 443.543 5.863 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccccc1)c1ccc(Cl)c(Cl)c1 170221784 BWFOMFGRYCSVMM-LJQANCHMSA-N 444.339 5.833 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccc2)c1 170222654 WJPSHWXMLGRVER-XMMPIXPASA-N 445.490 5.643 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2)cc1 170227188 WXFSBLBIVPOJMI-DEOSSOPVSA-N 427.500 5.567 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2c[nH]c3ccccc23)cc1 170254273 HBODXJXYECUVPQ-DEOSSOPVSA-N 438.483 5.350 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1c1cccc(F)c1 170270803 SXZTUOMEVFRRIN-VWLOTQADSA-N 441.502 5.796 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1C 170272075 KCAFRQHYYAVLIY-HSZRJFAPSA-N 427.500 5.403 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2C)c1 170278308 LKQDDWZPTISGNB-JOCHJYFZSA-N 439.939 5.568 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1sccc1C 170315574 LLHFCTKPAWLLTH-QHCPKHFHSA-N 439.536 6.301 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc(C)c2)cc1Cl 170343235 BGTRQCGHMSCCSO-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE CCN(CC)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2ccccc2C)cc1 170396673 AYYRDOSETCDQAK-XMMPIXPASA-N 441.531 5.019 30 10 IKEE Cc1ccc(C(=O)C2=NN(c3ccc(Cl)cc3)[C@@H](C#N)[C@@H]2c2ccc(Cl)cc2)cc1 248144772 HGZUSTWWQGOJEC-VXKWHMMOSA-N 434.326 6.037 30 10 IKEE C=C(COCCC)[C@H](NCCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 407155626 LFQAOEFVGRCUMU-IBGZPJMESA-N 441.410 5.820 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(OC)cc2)c1 526515536 JCNRVBHCKDTQAZ-DEOSSOPVSA-N 426.472 5.023 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)c1 526773069 OCLPDDSZYXNEKS-QHCPKHFHSA-N 447.918 5.912 30 10 IKEE C=CCCN(c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(OC(C)C)cc1 586256544 WAZQKNUJZHLWCP-UHFFFAOYSA-N 429.460 5.144 30 10 IKEE COc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)c1cc(C)cc(C)c1 586259693 ZBZQNNCQLCZTEA-UHFFFAOYSA-N 440.952 5.233 30 10 IKEE N#Cc1cccc(C(=O)Oc2cccc(NC(=O)N(Cc3ccccc3)c3ccccc3)c2)c1 586525208 JTJZOHISBPQGQL-UHFFFAOYSA-N 447.494 6.016 30 10 IKEE CC(C)[C@@H]1CCCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 698491656 ZVUHNJRIKBSOQF-UGKGYDQZSA-N 435.406 6.689 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@H](C#N)c1cccc(OCc2ccccc2)c1 698855262 MRXVVCNBZHHVQQ-RUZDIDTESA-N 434.580 6.790 30 10 IKEE CN(C(=O)OC(C)(C)C)C(C)(C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 698958443 QMSDTNUHYLBVMB-KRWDZBQOSA-N 437.968 5.619 30 10 IKEE O=C1C(=C/C=C\C=c2c3cccc4cccc(c43)n2Cc2ccccc2)C(=O)c2ccccc21 1082889384 RRHDPPACGPNJNB-OLORYUIQSA-N 439.514 5.904 30 10 IKEE Cc1cc(C=Nc2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 1084027292 NKKYAHPDENZMRS-UHFFFAOYSA-N 437.927 5.033 30 10 IKEE CCCCCSc1n[nH]c(NN=Cc2ccc(COc3c(C)cccc3Cl)o2)n1 1084310485 FNDKBVBCSNZJRQ-UHFFFAOYSA-N 433.965 5.667 30 10 IKEE O=C1/C(=C\c2cc(Cl)ccc2O)S/C(=N/N=C/c2cccs2)N1Cc1ccco1 1615301637 UXRQJSPKXQFUSA-SFGUJILJSA-N 443.937 5.207 30 10 IKEE C=C(Cl)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 1722549175 FFXLHWSDKCUDFI-INIZCTEOSA-N 431.009 5.000 30 10 IKEE COC(=O)c1ccc(/C=C2/SC(=Nc3nc(C)cs3)N(c3ccccc3)C2=O)cc1 1772740209 WRRMHILDJGSHSS-RFWMEDTCSA-N 435.530 5.047 30 10 IKEE COc1ccc(/C=C2\SC(=Nc3nc(-c4ccccc4)cs3)N(C)C2=O)cc1OC 1772740648 ZYSFGZZHVNSDPB-PNVGRYOSSA-N 437.546 5.061 30 10 IKEE C/C(C=NN=C1S/C(=C/c2ccc(F)cc2)C(=O)N1Cc1ccco1)=C\c1ccccc1 1772758780 DFZATLBSPNDLAM-CXRPZPFUSA-N 445.519 5.981 30 10 IKEE C[C@@H](CCC[C@@H](C)C(=O)O)[C@H]1CC[C@@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C 1848438095 BQGIGUVHOKYXEI-NJNOJYAOSA-N 428.613 5.408 30 10 IKEE COc1ccc(-n2nc(C(=O)Nc3ccccc3C#N)cc2-c2ccc(C(C)C)cc2)cc1 1859397213 PTXYDRYBHAPUFO-UHFFFAOYSA-N 436.515 5.795 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)c1ccc2nc(C)[nH]c2c1)c1ccccc1 1861449583 LAPOMUJQZAQUJA-VWLOTQADSA-N 448.611 5.599 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)/C=C/c1cc(OC)ccc1OC 1861728459 DOIYBZUFGLZWGI-KEWFZMHCSA-N 446.632 5.259 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2cccc(Cl)c2)n(-c2ccc(Cl)c(Cl)c2)n1 1862340835 SQYFKNAJZMZEIZ-UHFFFAOYSA-N 446.765 6.314 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2c(F)cccc2Cl)cc1 1862395905 AXUYKJVRRVMLLU-QFIPXVFZSA-N 443.946 6.056 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccccc2F)cc1C 1862402110 QPTJRKMQVLCHEJ-OSPHWJPCSA-N 445.490 5.482 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCCc2ccccc2)c1 1862429744 UFPKBNLUQSZUCZ-DEOSSOPVSA-N 445.946 5.860 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccc(F)cc1)c1cccc(Cl)c1 1862444191 XNEHRTYMIVIWQU-OAQYLSRUSA-N 427.903 5.780 30 10 IKEE CCN(CC)CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc(C)c1 1862475010 AXLPFYMSYICYNV-DEOSSOPVSA-N 434.580 5.004 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862481070 WHSGZEPQLVWWMR-HSZRJFAPSA-N 446.503 5.372 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2cccc(Cl)c2)c1 1862491727 ZPWUXXWKZSRIJE-QFIPXVFZSA-N 432.907 5.130 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862510687 HZWAYCWQHRSMPH-KSFYIVLOSA-N 425.500 5.300 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1cccc(F)c1 1862530610 UMBIHTLYNILMRR-ISKFKSNPSA-N 437.555 6.325 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc2cc[nH]c2c1 1862594880 IPJJFOCGYVOPHO-FYSMJZIKSA-N 438.483 5.213 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(O)cc1 1862674294 LQOFMBHAWXIDHY-JOCHJYFZSA-N 425.500 5.470 30 10 IKEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1 1862722635 WFAIUFKEUDTILO-NOZRDPDXSA-N 439.511 5.111 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1F 1862749477 ZESNEEHXKPAQOX-NYHFZMIOSA-N 446.434 5.073 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(F)cc3)C2=O)cc1 1863144710 SGGSOMUIMXTGOF-KRWDZBQOSA-N 439.490 5.213 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(C34CC5CC(CC(C5)C3)C4)C2=O)cc1 1863277023 LGCDHGAOTXYDQU-UHFFFAOYSA-N 437.543 5.028 30 10 IKEE N#Cc1nnn(Cc2cccc3ccccc23)c1NC(=O)c1ccccc1-c1ccccc1 1870108494 KBBIKSFKOHJULV-UHFFFAOYSA-N 429.483 5.271 30 10 IKEE N#Cc1nnn(-c2ccc(Nc3ccccc3)cc2)c1NC(=O)c1ccc2ccccc2c1 1870147217 DVBHZTDNQMEXEY-UHFFFAOYSA-N 430.471 5.288 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(C(=O)OC)o2)c(=O)cc1CSCC 1870295972 IHJKWALFYXXQHZ-UHFFFAOYSA-N 435.586 5.421 30 10 IKEE CCCCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CN1CCN(CC)CC1 1870353558 WIGWQOPWAHKUPK-UHFFFAOYSA-N 447.708 5.551 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccccc2C)cn1CCCCCCCC 1870627828 HJODTQBJBOOYMW-UHFFFAOYSA-N 436.640 6.270 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCc2ccccc2)cn1CCCCCCCC 1870691787 ONROLAQMECAOED-UHFFFAOYSA-N 436.640 6.004 30 10 IKEE C=CCOc1cn(C[C@H](c2ccccc2)N2CCCC2)c(CNc2ccc(C)cc2)cc1=O 1870811681 FIAANDXQVYXSMJ-AREMUKBSSA-N 443.591 5.171 30 10 IKEE CCCCCCCOc1cn(Cc2ccncc2)c(CNc2cc(C)cc(C)c2)cc1=O 1870836272 SNZRIFLMOLHRGL-UHFFFAOYSA-N 433.596 5.870 30 10 IKEE CCCCC[C@H](CC)N1COc2c(cc3c(c2C)O/C(=C\c2ccc4c(c2)OCO4)C3=O)C1 1871353028 AAHBPPKJTHZNDZ-QMFCMINHSA-N 449.547 5.851 30 10 IKEE CCc1ccc([C@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2cccc(Cl)c2)C4=O)cc1 1871354617 VWWNCISNAMMJSN-MQKZQLNTSA-N 445.946 6.432 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4C)cc(C)c3C2=O)c1 1871409519 QDKPGHKAAZOJDT-QCYAWUEASA-N 427.500 5.634 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccccc2C)C3=O)cc1 1871412660 YGPSQDAYEQXTRO-XHFXOGKZSA-N 443.499 5.334 30 10 IKEE COc1ccc(OCCOc2cc(C)c3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871414492 KEEMSOFKJITEMU-UCQKPKSFSA-N 436.891 5.731 30 10 IKEE CCOC(COc1ccc2c(c1C)O/C(=C\c1ccc(Cl)cc1Cl)C2=O)OCC 1871415992 FSZPBAPWTGICFM-GRSHGNNSSA-N 437.319 5.696 30 10 IKEE CCCCCCCCCOc1ccc2c(c1C)O/C(=C\c1c(F)cccc1Cl)C2=O 1871430012 YRNBCWAPJZHXRQ-KQWNVCNZSA-N 430.947 7.533 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O)Nc1cc(Cl)ccc1Cl 1871457429 GGZIDGOXPUWBRB-FBHDLOMBSA-N 440.282 5.627 30 10 IKEE CCCCCCCCN=c1nc(N2CCC(C)CC2)[nH]c(=Nc2cccc(Cl)c2)[nH]1 1871647472 ANGDYMJJWOPPOC-UHFFFAOYSA-N 431.028 5.121 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cccc(C)c1C)[C@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872523333 GLATWIPDOGVCKX-HXOBKFHXSA-N 446.588 5.063 30 10 IKEE N#C[C@H](C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872760425 OBFATWKPCIFQSY-JYNAJPCDSA-N 429.501 5.487 30 10 IKEE COc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)c(OC)c1 1872764876 AKKPYOWVIRLBPK-MBNRZODZSA-N 434.517 5.034 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)[C@@H](C#N)c1nc(-c2cc(C)ccc2C)cs1 1872771822 CTNNUMFPROQCKA-CQSZACIVSA-N 431.344 6.232 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3c(F)cccc3Cl)n2)c(OC)c1OC 1872782945 YFWUHTRMRMNCOG-LBPRGKRZSA-N 446.887 5.118 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)Cc2c[nH]c3ccccc23)n1 1872785015 CKFDAHNXNILELC-OAQYLSRUSA-N 427.573 6.316 30 10 IKEE C=CCN(CC=C)C(=O)c1ccc2nc(SCc3ccc(Cl)c(Cl)c3)[nH]c2c1 1872816732 SSNXPFJEXJHRSJ-UHFFFAOYSA-N 432.376 5.976 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(C)c(Br)c2)=C(c2c(C)cc(C)cc2C)C1=O 1873330456 ICAXJBRYRIVOAD-UHFFFAOYSA-N 439.353 5.061 30 10 IKEE COc1cc(/C=N/n2c(S)nnc2C2CC2)ccc1OCc1ccc(Cl)cc1Cl 1873502179 DJFNYUXZNKAYCL-AUEPDCJTSA-N 449.363 5.221 30 10 IKEE Sc1nnc(-c2cccs2)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1873503063 FZRGBSWLJNUHOI-WSDLNYQXSA-N 426.954 5.410 30 10 IKEE CCCCCCCCNc1ncnc2c1ccc(=O)n2-c1cccc(Br)c1 1873538596 PXSHSZAJRSWHMT-UHFFFAOYSA-N 429.362 5.316 30 10 IKEE Cc1ccc(CSc2nnc(CC34CC5CC(CC(C5)C3)C4)n2/N=C/c2ccc[nH]2)cc1 1874242820 ZRUCHMUBBGXUTC-LQKURTRISA-N 445.636 5.848 30 10 IKEE CCCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1cccc(OCC)c1 1874247460 FRWFPIWSZQBZHW-XIEYBQDHSA-N 438.597 5.381 30 10 IKEE Fc1ccccc1CSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccc[nH]1 1874265266 PKOGLCMBOSIGBJ-BRJLIKDPSA-N 441.919 5.152 30 10 IKEE Oc1cccc(/C=N/n2c(CCc3ccccc3Cl)nnc2SCc2ccccc2)c1 1874279058 QWIDBCJSXSAQCQ-WGOQTCKBSA-N 448.979 5.597 30 10 IKEE CCCSc1nnc(CCc2ccccc2OC)n1/N=C/c1ccc(C(F)(F)F)cc1 1874313557 AJAVUDFUPKZERM-CVKSISIWSA-N 448.514 5.475 30 10 IKEE COc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2/N=C/c2ccco2)cc1 1874351056 RVNRNEGLVHRKTJ-ZVHZXABRSA-N 438.940 5.298 30 10 IKEE Cc1ccc(/C=N/n2c(COCc3ccccc3)nnc2SCc2ccccc2C)cc1 1874353122 SAOIZCUKYAHPIT-JVWAILMASA-N 442.588 5.786 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2ccccc2Cl)n1/N=C/c1cccs1 1874376291 OETGHPDJBGGDLQ-ZMOGYAJESA-N 442.972 5.897 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1c(Cl)cccc1Cl 1874388967 DTSCCHGBCPTHII-WYMPLXKRSA-N 431.392 6.035 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2)n1/N=C/c1ccccc1Cl 1874395125 DUIMLRMOQNRLDM-PMFZIYJTSA-N 432.980 6.258 30 10 IKEE Fc1cccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2cccc(F)c2)c1 1874402315 SPZZVUWQUQJXNK-JVWAILMASA-N 434.515 5.516 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3)n2/N=C/c2ccc(O)cc2O)c1 1874416715 DWEJMDVTXNLMBQ-CVKSISIWSA-N 444.560 5.071 30 10 IKEE Cn1cc(/C=N/n2c(SCc3ccc(F)cc3)nnc2-c2cccs2)c2ccccc21 1874420729 AZUCJARIDQWKME-DHRITJCHSA-N 447.564 5.812 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3cccc(C)c3)nnc2-c2cccs2)c1 1874421757 CJKMEVPSAXQAOK-BUVRLJJBSA-N 434.590 5.888 30 10 IKEE Cc1ccsc1/C=N/n1c(SCc2ccccc2Cl)nnc1-c1cccs1 1874422947 MSSLXRMLJVJASX-SRZZPIQSSA-N 431.011 6.204 30 10 IKEE Fc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2-c2cccs2)c(F)c1 1874423123 WAVRUCPMXOWTIZ-ZVHZXABRSA-N 426.517 5.502 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2-c2ccccc2)cc1OC 1874425710 WKINNYZWVKWSNQ-WGOQTCKBSA-N 444.560 5.445 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2cccs2)c(Cl)c1 1874430531 MNORCIXTBGBVAQ-FSJBWODESA-N 445.400 6.488 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2ccc(F)cc2)nnc1[C@H]1CCCO1 1874443251 XDQKNRHNRHFTBL-JAMLUQCHSA-N 438.528 5.008 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CCCC2)c1 1874456317 LMWUBFAWKIKLRE-MFKUBSTISA-N 441.000 6.162 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2cc(C)ccc2C)nnc1-c1ccco1 1874467009 NSLJLLKELLLOFQ-WGOQTCKBSA-N 446.576 6.118 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccccc2C)n1/N=C/c1ccc(Cl)cc1 1874477491 CFFVLXZPGQDYPV-ZVHZXABRSA-N 441.988 5.196 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(OC)cc1 1874479429 ZTGRXIGIEFOBJY-YZSQISJMSA-N 430.577 5.957 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C(C)(C)C)cc1 1874485366 QSWLSPVDVJDGTM-OGLMXYFKSA-N 442.632 7.027 30 10 IKEE Oc1ccccc1/C=N/n1c(SCc2c(Cl)cccc2Cl)nnc1C1CCC1 1874496333 GZEVVWLAWYJJPM-FOKLQQMPSA-N 433.364 5.733 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1/N=C/c1cc(Br)ccc1O 1874507471 FNAIDACFLBACQW-SSDVNMTOSA-N 449.349 5.012 30 10 IKEE COc1cc(/C=N/n2c(SCc3cccc(C)c3)nnc2C(C)C)cc(Cl)c1O 1874512135 YFKIPECTMCHNCE-FOKLQQMPSA-N 430.961 5.252 30 10 IKEE Cc1ccsc1/C=N/n1c(SCc2c(Cl)cccc2Cl)nnc1C(C)C 1874514405 WWLQZWGVJVDRJQ-ZVBGSRNCSA-N 425.410 6.253 30 10 IKEE C=C(C)COc1c(/C=C/C(=O)c2ccc3ccccc3c2)cc(Br)cc1OC 1874571411 LUVGSQIUQZTKFM-ZHACJKMWSA-N 437.333 6.462 30 10 IKEE CCCOc1c(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc(Br)cc1OC 1874572742 CHFYXAZFSSSBNO-SOFGYWHQSA-N 435.314 5.160 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 1874573419 NEULBSVZUBTEJB-JQIJEIRASA-N 439.382 7.811 30 10 IKEE O=C(COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(F)cc1)NCc1ccco1 1874583945 NXSAZASYUGMXAM-OUKQBFOZSA-N 429.447 5.163 30 10 IKEE CCCOc1c(OC)ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2)c1Br 1874594004 MSTDETMCCJKZLW-RMKNXTFCSA-N 435.314 5.160 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)cc1OCc1ccc(C)cc1 1874600791 DEMWSAJFQAPTOT-JLHYYAGUSA-N 448.515 5.505 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)cc([N+](=O)[O-])c1OCc1ccccc1 1874608603 XHEYXLFVBOOKEJ-OUKQBFOZSA-N 437.879 6.122 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2cc(OC)c(OCCC)c(OC)c2)cc1 1874625784 VWQDGFLDANFYTA-LFIBNONCSA-N 440.580 6.738 30 10 IKEE CCCOc1c(Cl)cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc1OCC 1874627004 HLTRJGWECNPFFO-MDZDMXLPSA-N 430.972 6.864 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc(Cl)c2)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 1874627557 PMZXWSZSEPNOTI-XBXARRHUSA-N 429.806 6.002 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(-c3ccccc3)cc2)c1)c1ccc([N+](=O)[O-])cc1 1874698317 QAEHPMNGJGSCMS-GIJQJNRQSA-N 449.462 6.377 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OC(=O)COc1ccc(C)cc1C 1874701399 QUWQYNKECFVIPL-DHZHZOJOSA-N 444.527 5.809 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(C(C)C)cc3)c2)cc1 1874709312 APNLOYSMHYVQTG-FRKPEAEDSA-N 428.484 5.851 30 10 IKEE COc1ccc(CC(=O)Oc2cc(/C=C/C(=O)c3ccc(C)c(C)c3)ccc2OC)cc1 1874713834 PZXGKDALSXYOEY-MDWZMJQESA-N 430.500 5.365 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3ccccn3)c(OC)c2)cc1 1875105930 SLXJXNSCHQPBDI-SDNWHVSQSA-N 449.934 6.202 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CSc3ccccc3)c(OC)c2)cc1C 1875109052 UFJOSVMTDSHJHK-FMIVXFBMSA-N 448.540 5.606 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OC(=O)c1ccc(F)cc1F 1875115256 UTVMIHNFEVJNEP-UUILKARUSA-N 438.426 5.487 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(-n3cccc3)cc2)cc1)c1ccc([N+](=O)[O-])cc1 1875117020 FDDWBRKTEWAKIH-FZSIALSZSA-N 438.439 5.501 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)cc1)c1cccc(Cl)c1 1875123047 ABMZEQAPZNDBMK-ULNQUZHKSA-N 437.322 6.599 30 10 IKEE C[C@H](Oc1ccc(Cl)cc1)C(=O)Oc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1 1875123414 KPLUMSFGCIMSEU-KAMPRCONSA-N 441.310 6.262 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)c1ccncc1 1875125405 HSTRBTVLCPGZDC-BJMVGYQFSA-N 433.891 5.587 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2[N+](=O)[O-])cc1C 1875126580 OORSPAHBAXNNLS-NYYWCZLTSA-N 435.863 5.980 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC(=O)c1ccco1 1875148558 HRRZRDIGUNZZEI-MDWZMJQESA-N 434.488 5.710 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)cc(Cl)c1OC(C)=O 1875167720 IBIULWALDDWIFW-SNAWJCMRSA-N 429.683 5.485 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1cc(C)cc(C)c1 1875170384 VCZCEGQUTOKXQS-CSKARUKUSA-N 442.555 6.661 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)cc3)c(OC)c2)c(OC)c1 1875178046 QNFQNERUUVCUCB-UKTHLTGXSA-N 446.499 5.065 30 10 IKEE C#CCN1CC[C@H](NCC)[C@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875652750 URZZWONZNRFISD-LITSAYRRSA-N 440.587 5.203 30 10 IKEE C=CCC(CC=C)SC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1888157023 BUVNPCGGCKKRPK-HSZRJFAPSA-N 437.561 5.232 30 10 IKEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)Nc3ccccc3Oc3ccccc3)n[nH]2)c1C 1890915382 IQNUPRYQFPYZLF-UHFFFAOYSA-N 427.508 5.511 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H]1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1922124498 HFXGGURVLBGXAA-KIHHCIJBSA-N 428.617 5.163 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)C2(C)C)cc1 1947972427 OEMKFVMZYMWULA-DEOSSOPVSA-N 429.561 5.418 30 10 IKEE CCCCCCCCC[C@@H](CN)N(CCCNC(=O)OC(C)(C)C)Cc1ccccc1 2018745710 SMCUAZIILUEXCH-DEOSSOPVSA-N 433.681 5.871 30 10 IKEE C=C1CC[C@@H](O)CC1=C[C@H](O)[C@]1(O)CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C 2069535160 KXILCRGOVVVVRF-FEINXYLBSA-N 430.673 5.807 30 10 IKEE CCN[C@@H](CC#CCOC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071266034 ZZQGOIRXPACUKM-SANMLTNESA-N 429.560 5.535 30 10 IKEE CC(C)Oc1ccc([C@@H](C2CC2)n2nc(C(F)(F)F)c(C=NO)c2Br)cc1 2080064885 YUNHNAJZYQCZIJ-OAHLLOKOSA-N 446.267 5.259 30 10 IKEE CC(=O)Oc1ccc([C@@H](n2nc(C3CCC3)c(C#N)c2Br)C2(C)CC2)cc1 2080072085 NWWXACBXROBNRP-LJQANCHMSA-N 428.330 5.100 30 10 IKEE CC(C)Oc1ccc([C@@H](n2nc(C3CCC3)c(C#N)c2Br)C2(C)CC2)cc1 2080127206 SCSPTFYHDATHQU-HXUWFJFHSA-N 428.374 5.961 30 10 IKEE Fc1cc(-c2c(C(F)F)nn(C(F)(F)F)c2Br)ccc1C(F)(F)F 2080792830 XYBCLPUOAFKSNT-UHFFFAOYSA-N 427.064 5.884 30 10 IKEE N#Cc1c(C2CCCCC2)nn2c(Cl)cc(-c3cccc(Br)c3F)nc12 2081395575 YZKDTBBKRSAPRU-UHFFFAOYSA-N 433.712 5.871 30 10 IKEE C=CCCCCCCCCC[C@H](N)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2086264925 YPUGRJMFUKZPDE-DQEYMECFSA-N 446.676 6.511 30 10 IKEE CN(CCN(Cc1ccccc1)c1ccc(CNC(C)(C)C)cc1C#N)Cc1ccccc1 2095884094 VYHOCTUDYKHICO-UHFFFAOYSA-N 440.635 5.585 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1cnc(C2CC2)s1 2116334120 UDHPMBBJLKSPIW-HNNXBMFYSA-N 434.359 5.789 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1ccc(Br)c(Cl)c1 2124448562 MQMIRWWGPGKISJ-HNNXBMFYSA-N 444.757 5.018 30 10 IKEE N#Cc1cc(NCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)ccc1F 2134727734 KTHDLLSLMKJIMD-UHFFFAOYSA-N 438.502 6.467 30 10 IKEE CCC[C@@]1(CNc2cc(Br)cnc2C#N)CCCCN1C(=O)OC(C)(C)C 2167617287 PZCDKNKDKLATSV-FQEVSTJZSA-N 437.382 5.088 30 10 IKEE Cc1cc(F)c([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)c(Br)c1 2173408125 WJFPWONAJGDIBS-GOSISDBHSA-N 439.369 6.421 30 10 IKEE N#Cc1c(F)cc(Br)cc1N[C@@H]1CCN(Cc2ccccc2)C2(CCC2)C1 2173442716 DTLJXAPGUVAKHM-GOSISDBHSA-N 428.349 5.459 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1cnc(C2CCC2)[nH]1 2197505324 WONUZYMWJQUHSG-QGZVFWFLSA-N 431.334 5.446 30 10 IKEE C=CCCCCCCCCOc1ncc(I)cc1Br 2225687731 QVPAIOLRPLEERO-UHFFFAOYSA-N 438.147 5.744 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[C@@]2(C#N)Nc2cccc(Br)c2)C1 2233751172 KHIOYCABBZBONJ-FPDPHYFHSA-N 434.378 5.180 30 10 IKEE CCCCCCCC[C@H](O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237381991 HXVPFHSQXMTGSE-UXHICEINSA-N 442.438 5.996 30 10 IKEE C=CCCC[C@H](NCCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237422453 VWFAZOFHAJUUES-PMACEKPBSA-N 439.438 5.609 30 10 IKEE C=C1C[C@H]1C[C@@H](NCCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237429900 PUWQWEVRGBFSTL-DFQSSKMNSA-N 437.422 5.219 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)cc(C(C)C)c1 2265993661 ZEFSEKFIWBQMLZ-RTBURBONSA-N 425.411 5.693 30 10 IKEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)Nc1ccc(OCc2ccccc2)cc1 2267582675 GRVHXVSTMRYTBL-UHFFFAOYSA-N 449.381 5.187 30 10 IKEE Cc1cccc(C(=O)N(Cc2ccccc2)C2CCCCC2)c1B1OC(C)(C)C(C)(C)O1 2267603003 VWSVRZGVEHRKOM-UHFFFAOYSA-N 433.401 5.269 30 10 IKEE Cc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)C1CCCC1 2270440804 GHDAUHKZNOAUFQ-UHFFFAOYSA-N 437.364 5.018 30 10 IKEE C=CCCCC[C@H](NCC)[C@](C)(O)c1cc(Br)c(Br)s1 2281283835 VMQLBXPUYNRBHY-WFASDCNBSA-N 425.230 5.205 30 10 IKEE CC1(C)OB(c2cccc(NC(=O)Nc3ccccc3OCc3ccccc3)c2)OC1(C)C 2282760511 CWHMOINJANTVAP-UHFFFAOYSA-N 444.340 5.209 30 10 IKEE CC(C)N(C[C@@H]1CCCN(c2c(Br)cccc2C#N)C1)C(=O)OC(C)(C)C 2285189860 LNICGSFZWYSUFP-MRXNPFEDSA-N 436.394 5.183 30 10 IKEE O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCCN=Cc1cc(Cl)cc(Cl)c1O 2294013970 OTLMMIUGFKJGCC-UHFFFAOYSA-N 436.217 5.547 30 10 IKEE CCCCN1C(=O)C(=C2Sc3ccc(OC)cc3N2C)SC1=Nc1ccc(F)cc1 2295203849 MREGOTUAWRGDTP-UHFFFAOYSA-N 443.569 5.609 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(F)c([C@@H](O)C#Cc2ccc(Br)cc2)c1F 2296271686 FUUYVXPPJUFXAE-INIZCTEOSA-N 438.268 5.159 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3cc(OC(=O)c4ccccc4F)ccc3C1=O)cn2C 2296872061 RKOXOYIDMKXDCP-UHFFFAOYSA-N 443.430 5.161 30 10 IKEE Cc1ccc(-c2ccc(C=C3SC(=Nc4ccccc4Cl)NC3=O)o2)cc1Cl 2297321722 RMJKYYMMAZHFKE-UHFFFAOYSA-N 429.328 6.453 30 10 IKEE O=C1Nc2cc(Br)cnc2NC1=CC(=O)c1ccc(C2CCCCC2)cc1 2297341446 JMNDCOXBLMQSMC-UHFFFAOYSA-N 426.314 5.023 30 10 IKEE CCCCCCCCCCCCCCCCCCN=C(C)c1ccc2ccccc2c1O 2297449407 INGLVGYOCHRDMO-UHFFFAOYSA-N 437.712 9.616 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2308983669 KDRFGMIUHBBLLS-NZNXZMDWSA-N 445.535 5.153 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(OCc2ccccc2)cc1 2314452862 RBPILMVPFYANTG-RPBOFIJWSA-N 436.596 5.613 30 10 IKEE O=C(C=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1)c1ccc(-c2ccccc2Cl)o1 2314480738 MVURGOZKZZURJN-UHFFFAOYSA-N 443.713 8.063 30 10 IKEE CCCOc1c(C=Nn2c(SCCc3ccccc3)nnc2C2CC2)cccc1OC 2320858526 XEXGXXNPWWALJW-UHFFFAOYSA-N 436.581 5.170 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc4c(c1)OCO4)O3)CN([C@@H](C)c1ccccc1)CO2 2322092534 HWLCGCUWVAELMK-KRWDZBQOSA-N 441.483 5.253 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(Cl)c(Cl)c1)C3=O)CN(Cc1ccco1)CO2 2322307983 OFNWZVIQFJHTAI-UHFFFAOYSA-N 442.298 5.863 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2c(OCC(=O)NCc3ccco3)ccc3ccccc23)c1 2322617050 NXKYKPDJKDACMW-UHFFFAOYSA-N 439.511 5.641 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCCC)cc1 2322760042 PRMCWAFWOCGHTR-UHFFFAOYSA-N 444.999 7.383 30 10 IKEE COc1ccc(OC)c(C=C2Oc3cc(OC(=O)C=Cc4ccc(F)cc4)ccc3C2=O)c1 2323044118 USJQVGLNDAKHSB-UHFFFAOYSA-N 446.430 5.078 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OC(=O)CCCOc4ccccc4)c3C)C2=O)c1 2323178298 KTLIFMZKYKHFBA-UHFFFAOYSA-N 444.483 5.384 30 10 IKEE O=C(C=Cc1ccc(OCCCO)c(Br)c1)c1ccc(-c2ccccc2)cc1 2323351945 ALGYMIZJUMDLEC-UHFFFAOYSA-N 437.333 5.773 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Cl)c(OCc3ccccc3F)c(OC)c2)c1 2323485457 JSQJJTSSEZAXSF-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Br)cc1 2323581139 ZBGSSXVXAXGUMO-UHFFFAOYSA-N 438.277 5.832 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc([N+](=O)[O-])c1OCc1cc(C)ccc1C 2323812898 BAVQHCQRGIYWNC-UHFFFAOYSA-N 431.488 6.085 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)c(Cl)c2)c(C)c1 2323854562 UZOIURFZPGDTNV-HXUWFJFHSA-N 447.962 6.109 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OCc1c(F)cccc1Cl 2323895958 TXRNFGMWLTZCKY-UHFFFAOYSA-N 445.317 6.925 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(F)c(C)c3)cc2OC)cc1 2323985599 JOQQWKNQUYGUAC-UHFFFAOYSA-N 447.506 5.619 30 10 IKEE CCn1cc(C=C2Oc3c(CN4CCC(C)CC4)c(O)cc(C)c3C2=O)c2ccccc21 2324151888 AQPMPWJOWCWYJE-UHFFFAOYSA-N 430.548 5.523 30 10 IKEE Cc1cccc(OCCCOc2cc(C)c3c(c2)OC(=CC=Cc2ccccc2)C3=O)c1 2324567824 NCPJXXKBMYMUAG-UHFFFAOYSA-N 426.512 6.324 30 10 IKEE COc1ccc(OCCCOc2ccc3c(c2)OC(=Cc2ccccc2OC)C3=O)cc1 2324697240 PBSUJROYEKWBBP-UHFFFAOYSA-N 432.472 5.168 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3cc(OCC(=O)NCc4ccccc4)ccc3C2=O)cc1 2324963082 JXUXEZSIHCJUIT-UHFFFAOYSA-N 441.527 5.296 30 10 IKEE CC(=O)Nc1ccc(C(=O)COc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1 2325234891 AMDZTWHSVPRXMN-UHFFFAOYSA-N 439.467 5.079 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(OC)c(OC)c1 2325565315 UVVGGANZFQQLMO-UHFFFAOYSA-N 446.576 5.576 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OC(=O)[C@H]2C[C@H]2c2ccccc2Cl)c1 2325743588 WOVIHPIIBCMJJP-VXKWHMMOSA-N 446.930 6.262 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(N(C)C)cc3)c2)cc1F 2325748062 BMRYNZXHEJPXMP-UHFFFAOYSA-N 449.478 5.024 30 10 IKEE O=C(Cc1ccc(Br)cc1)Oc1cccc(C=CC(=O)c2ccc(F)cc2)c1 2325751230 JCNGLQCZDLZPRP-UHFFFAOYSA-N 439.280 5.632 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(F)c(C)c3)c2)c(OC)c1 2325761215 HURJTSDEGNLVCV-UHFFFAOYSA-N 434.463 5.196 30 10 IKEE CCCCC(=O)Oc1cc(C=CC(=O)c2ccc(OCC)cc2OCC)ccc1OC 2325762564 NGXCDHSPUGCZNC-UHFFFAOYSA-N 426.509 5.484 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)COc3c(C)cccc3C)c2)cc1C 2325771500 PRARYJAILRLHGB-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1ccccc1C(F)(F)F 2326414323 JRXFVADRKZWJJF-UHFFFAOYSA-N 432.515 6.041 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(C)c3)n2N=Cc2ccccc2O)cc1 2329947286 RIKJPOJEJFMYIO-UHFFFAOYSA-N 428.561 5.366 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)cc2)n1N=Cc1ccc(OCC)c(OC)c1 2329984769 KJAWCZXINATYDW-UHFFFAOYSA-N 436.581 5.135 30 10 IKEE Cc1ccsc1C=Nn1c(Cc2cccs2)nnc1SCc1cccc(F)c1 2330358962 ZHRLYZDGJKWAOU-UHFFFAOYSA-N 428.583 5.614 30 10 IKEE CSc1nnc(Cc2ccccc2)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2330450630 MBNUFZLMTIXEBN-UHFFFAOYSA-N 448.979 5.705 30 10 IKEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OC(=O)CCCSC 2330619641 SCWINPSPOBROHO-UHFFFAOYSA-N 449.912 5.202 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3ccccc3Cl)cc2)cc1 2330910727 RIOFQHAXHPKBCB-UHFFFAOYSA-N 434.919 6.309 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1Cl 2330913268 CDXOVIRCBBZNHJ-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE Cc1cccc(CSc2nnc(C3CCCC3)n2N=Cc2ccc(C(C)(C)C)cc2)c1 2331045379 IYUKWOUDHJMQMS-UHFFFAOYSA-N 432.637 6.716 30 10 IKEE O=[N+]([O-])c1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2C2CCCC2)cc1 2331049431 BBDPMWJIOFJCNY-UHFFFAOYSA-N 425.489 5.158 30 10 IKEE Fc1cccc(Cl)c1C=Nn1c(SCc2cccc(Cl)c2)nnc1C(F)(F)F 2331154672 GIBNNRCARCFYQG-UHFFFAOYSA-N 449.260 5.917 30 10 IKEE CCCCCCC(=O)Oc1c(OCC)cc(C=CC(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] 2331281172 PBUVSDWNSSVJOB-UHFFFAOYSA-N 439.508 6.074 30 10 IKEE CCCCc1nnc(SCCc2ccccc2)n1N=Cc1cc(Cl)c(O)c(OC)c1 2331337901 JETSKQTVLGHBES-UHFFFAOYSA-N 444.988 5.205 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OC(=O)c1ccccn1 2331410881 NDYICNOOWJAMKO-UHFFFAOYSA-N 449.934 6.156 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3cccc4ccccc34)cc2OC)c1 2331484444 NZEQJQRILYZPDW-UHFFFAOYSA-N 438.479 5.972 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)CC12CC3CC(CC(C3)C1)C2 2331541477 QSKIOYQFVPQAOJ-UHFFFAOYSA-N 448.534 6.242 30 10 IKEE Cc1ccsc1C=Nn1c(SCc2ccc(Cl)c(Cl)c2)nnc1C1CCC1 2331541923 UKUYQBNZVOPKRW-UHFFFAOYSA-N 437.421 6.397 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)c1ccccc1 2331668560 AIXLFMMPEIIUMX-UHFFFAOYSA-N 430.500 5.826 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2)cc1 2331704551 BAHSHDIWUZXMRW-UHFFFAOYSA-N 428.528 6.136 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(SCc2ccccc2C)nnc1C1CC1 2331726179 JTBHHUHTFXKJJW-UHFFFAOYSA-N 428.561 5.800 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)Cc2ccc(C)c(C)c2)cc1 2331871498 XXVXCRUKMWDBRO-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cc(Cl)c(OC(=O)C(C)(C)C)c(OC)c1 2331871502 YNFIPYCMGYJPIR-UHFFFAOYSA-N 437.319 5.858 30 10 IKEE C[C@H]1C[C@@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN1Cc1ccccc1 2339545968 CNVSKGMBAQHOBJ-CNRLFXKBSA-N 433.405 5.191 30 10 IKEE CC1(C)OB(C=Cc2ccc(NC[C@]3(C)CCN(Cc4ccccc4)C3)nc2)OC1(C)C 2339586570 HUWPWZMADFFFLU-SANMLTNESA-N 433.405 5.050 30 10 IKEE CCOc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2nc(SCc3ccccc3C)nn21 9856591 IWUCKSFKRGXOJQ-HSZRJFAPSA-N 446.576 5.300 30 10 IKEE CC(C)Oc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(F)cc2)cc1 21251843 XFVUJLVVXCVFKG-PIIWDFAUSA-N 442.534 6.592 30 10 IKEE CCOc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccc(CC)cc1)C2 21256591 BBGGGIFCHZHUNU-PBBNMVCDSA-N 438.571 6.627 30 10 IKEE CCN(CC)c1ccc(C=NNc2nc(-c3ccc(Cl)cc3)c(NC(C)=O)s2)cc1 26771310 BCBLXOUOZPQAGX-UHFFFAOYSA-N 441.988 5.714 30 10 IKEE CCc1ccccc1N/C(=N\C(=O)c1c(F)cccc1F)NCCc1c[nH]c2ccccc12 32943384 VXTGTMXWMGVSOJ-UHFFFAOYSA-N 446.501 5.449 30 10 IKEE Cc1cccc(/C=C2/Oc3cc(OCc4c(F)c(F)c(F)c(F)c4F)ccc3C2=O)c1 33513991 OLIYVDGFVHMQAM-CAOOACKPSA-N 432.344 5.886 30 10 IKEE N#CC1(C#N)[C@H](c2ccccc2)[C@H](C(=O)c2ccccc2)N2c3ccc(Cl)cc3C=C[C@@H]21 33711272 VMZONVWPTOGZEA-UBFVSLLYSA-N 435.914 5.624 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1)c1ccc(Cl)cc1 34955089 RGDALBIXPQEXIF-LZWSPWQCSA-N 441.708 6.218 30 10 IKEE Cc1c(C(=O)c2sc3ccccc3c2Cl)c(O)n([C@H](C)c2ccccc2)c(=O)c1C#N 38622736 STWYDCWLMDOYBN-CQSZACIVSA-N 448.931 5.442 30 10 IKEE COC(=O)c1ccc(/C=C2\S/C(=N/c3ccncc3Cl)N(c3ccccc3)C2=O)cc1 39864519 DZOZJSHRUJCEFD-QCJXNBJVSA-N 449.919 5.330 30 10 IKEE Cc1ccc(C)c(NC(=O)c2oc3c(c2C)/C(=N/Nc2ccc([N+](=O)[O-])cc2)CCC3)c1 40814717 VUAMOLVBVNIQNK-ZXVVBBHZSA-N 432.480 5.518 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)c1 41292851 PCNXDSKPVGKBFO-YSNDTTCLSA-N 442.467 5.404 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc4c3CN([C@H](C)c3ccccc3)CO4)C2=O)cc1 41656032 MPJHJVUKOZFAJN-SDPDQUOZSA-N 427.500 5.615 30 10 IKEE CC(=O)/C(=N\Nc1cccc([N+](=O)[O-])c1)Sc1nc2ccccc2n1-c1ccccc1 59121504 QLTKZHQBFZQBHS-NJNXFGOHSA-N 431.477 5.040 30 10 IKEE COC(=O)c1c(/N=C/c2ccc(Br)s2)sc(Cc2ccccc2)c1C 59460285 YVMFNXYTIMUKIL-SRZZPIQSSA-N 434.380 6.009 30 10 IKEE COc1ccc(/C=N/c2cccc3c(/N=C/c4ccc(OC)c(O)c4)cccc23)cc1O 59518771 DDSISHSODQWGMX-DPCVLPDWSA-N 426.472 5.769 30 10 IKEE COc1cc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3s2)cc(Cl)c1OC 96767031 GANPHQJZEVJECL-SFQUDFHCSA-N 435.932 6.390 30 10 IKEE CC(C)(C)/N=C1\Nc2ccccc2N[C@]12CCCN(C(=O)Nc1ccc(F)cc1F)C2 97088244 FWFPVRCPVAQXCR-QHCPKHFHSA-N 427.499 5.066 30 10 IKEE CCCCCCCOc1ccc(NC(=O)CNc2cccc(OCCCCCC)c2)cc1 100082506 CCRGVFUQKFOORL-UHFFFAOYSA-N 440.628 7.046 30 10 IKEE CCCCCCCCCCCCCC(=O)Nc1ccc(C(=O)NCCN(CC)CC)cc1 100442492 TVZGEERWFAMKCE-UHFFFAOYSA-N 445.692 6.398 30 10 IKEE CCCCCCCCCCCCOc1ccc(OC(=O)c2ccc(C(=O)O)cc2)cc1 101005811 HXGGXVCCXQCWLJ-UHFFFAOYSA-N 426.553 6.904 30 10 IKEE C=C1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2[C@@H]1C 101706124 XWMMEBCFHUKHEX-VLNFGIIQSA-N 426.729 8.025 30 10 IKEE CCCCCCCCn1c(CCCCCNC(=O)c2ccccc2OC)nc2ccccc21 102167080 COSDTWKVVCFTAN-UHFFFAOYSA-N 449.639 6.548 30 10 IKEE O=[N+]([O-])c1ccc(/N=C/C=C(\Nc2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc2)cc1 106876907 RDYVHGRXIBUGHU-VOKWCDJLSA-N 433.380 5.267 30 10 IKEE C=CCn1c(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c(C)c2cc(C(C)C)ccc21 169870230 OIVLCDLJBDQYHR-UHFFFAOYSA-N 435.782 7.472 30 10 IKEE CC(C)Oc1c(Br)cc(/C=N/Nc2ccc(Cl)cc2)cc1Br 169878847 BBSLLPNZGFDVKA-AWQFTUOYSA-N 446.570 6.098 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3c(C)cc(C)cc3C)cs2)cc([N+](=O)[O-])c1OC 169941298 NPQOKYCRNQPQAA-KSEXSDGBSA-N 440.525 5.497 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccc(F)c(F)c2)c1 169968383 NQHFLTUFMIGYJS-NRFANRHFSA-N 439.845 5.710 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2cccc(C)c2)cc1C 169968530 FIZWJCOKVHWNPP-QHCPKHFHSA-N 449.453 5.373 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2cccc(C)c2)c1 169970174 IZZXYYKHLDGCEJ-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2cccs2)cc1 169985057 ZPKZKDTWBZUKEK-OAQYLSRUSA-N 437.492 5.377 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccn2)cc1 169991873 RAUDKGZMFYYBDY-JOCHJYFZSA-N 432.907 5.641 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2C)[C@H]1c1ccccn1 169996918 NGYPCNJGMWUPKA-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccc2ccccc12)c1ccc(F)cc1 170045542 SGPOXXXEXRNYEG-QHCPKHFHSA-N 427.431 5.350 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccc(Cl)cc1)c1c[nH]c2ccccc12 170057316 OBUCMMXBGIRNFT-QFIPXVFZSA-N 446.865 5.743 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(OC)cc1 170116681 OXIBMZFTMBQUKK-FQEVSTJZSA-N 448.346 5.771 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(OC)c2)cc1C 170121564 XIWLSDBPCQSJJZ-XMMPIXPASA-N 449.547 5.313 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc(OC)c1OC 170126993 DIJZQHSPUIHXFY-HSZRJFAPSA-N 445.515 5.235 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2cccc(C)c2)cc1C 170141434 LGPUQSZTSSDZLB-DEOSSOPVSA-N 443.499 5.191 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccccn2)cc1C 170174118 VTSCJVBRLPXGNU-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE Cc1ccc(-c2csc(C3=C(N)N(c4ccc(OC(F)(F)F)cc4)CC3=O)n2)cc1C 170180142 FEZHWTYXOJLXDE-UHFFFAOYSA-N 445.466 5.042 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccccc1C 170278286 GUIIEPMMFWEHOK-DEOSSOPVSA-N 447.575 5.822 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccco2)cc1OC 170280956 PSEROSHDUUIWEZ-HSZRJFAPSA-N 447.487 5.203 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccc(C)o2)c1 170303044 IZSOLUOQJSLHBL-OAQYLSRUSA-N 437.879 5.423 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1sccc1C 170315498 WQFTWGCGJRYSCR-HSZRJFAPSA-N 439.536 6.301 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2sccc2C)cc1 170315527 XNQPRFBOUKCMAP-JOCHJYFZSA-N 447.556 5.937 30 10 IKEE C=CCOc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCC)c1 170324364 UHVYXGGLESPVRJ-DEOSSOPVSA-N 427.500 5.393 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2cccc(OCC(C)C)c2)cc1 170366217 MMAWIGCJPVKGMI-QHCPKHFHSA-N 431.488 5.406 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1cccs1 170477856 JBJPYMJCYDQQPY-QGZVFWFLSA-N 432.954 5.526 30 10 IKEE Cc1nc(C)c(Cc2ccccc2)c(Nc2c(C#N)cnn2-c2cc(C)c3ccccc3n2)n1 170547617 RHTNSWNPKLELKG-UHFFFAOYSA-N 445.530 5.342 30 10 IKEE C=C(C)CCSCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 229756626 NOVXKCWZUHVLRR-JOCHJYFZSA-N 425.550 5.068 30 10 IKEE CCc1ccc(/C=C2/SC(=Nc3cccc(C)c3C)N(c3cccc(C)c3C)C2=O)cc1 252621895 NJKRWTLERJDADA-YTYDTYSUSA-N 440.612 7.291 30 10 IKEE Cc1ccc(/C=C2\SC(=Nc3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)cc1 254312334 WYFIMJBZABAQJN-YMTQWUKOSA-N 437.568 6.323 30 10 IKEE COc1cc(C=Nc2sc3c(c2C#N)CCCC3)ccc1OCC(=O)Nc1ccccc1 254348606 FDFIYZCFKGQPDP-UHFFFAOYSA-N 445.544 5.275 30 10 IKEE Cc1c(N=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)c(=O)n(-c2ccccc2)n1C 254382762 YNWCYTDBTOASTG-UHFFFAOYSA-N 425.410 5.514 30 10 IKEE CC(C)(C)OC(=O)N1CCC(C#N)(c2cc(Br)cc(Br)c2)CC1 309713825 AELQGYJSRMZMIV-UHFFFAOYSA-N 444.167 5.004 30 10 IKEE CC(C)COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(O)cc2)cc1 526488825 QTTFFIFXHCKQOP-VWLOTQADSA-N 440.499 5.356 30 10 IKEE CC(C)COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccncc2)c1 526604868 KTNUMNLWVZWPNI-XMMPIXPASA-N 425.488 5.045 30 10 IKEE N#Cc1ccc(N2C(=O)C(Nc3ccc4ccccc4c3)=C(Sc3ccccc3)C2=O)cc1 526636477 QXXSCUROTYGADG-UHFFFAOYSA-N 447.519 5.701 30 10 IKEE COc1ccccc1/C=N\n1c(Cc2ccccc2)nnc1SCc1cccc(Cl)c1 526812718 JDOMDWJTJSNLCB-QQXSKIMKSA-N 448.979 5.705 30 10 IKEE Cc1c(/C=N\n2cnnc2SCc2ccc(Cl)c(Cl)c2)c2ccccc2n1C 526814865 POMQJPLBHZPBEE-VROXFSQNSA-N 430.364 5.560 30 10 IKEE Cc1nnc(SCc2cccc(F)c2)n1/N=C\c1ccccc1OCc1ccccc1 526825173 MTIGEXRQBOFAPS-YSMPRRRNSA-N 432.524 5.479 30 10 IKEE C=CCN(C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(Br)cc1 586124653 ZCKCOHQOTKTMRS-UHFFFAOYSA-N 442.378 5.415 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)OC2CCC(NC(=O)C3CCCCC3)CC2)cc1 586507282 USDGRTIQIQFMMU-UHFFFAOYSA-N 449.657 5.522 30 10 IKEE C#CCOC(=O)/C=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1 1084233387 AWTDCRZKKBSJCJ-FPLPWBNLSA-N 440.120 5.525 30 10 IKEE CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C/C(=C/c5cn(C)nc5C)C(=O)[C@@]4(C)CC[C@H]32)C1 1614437818 DXRJBJUDWMWZPC-QLOQKEHYSA-N 436.596 5.185 30 10 IKEE C=CCCCCCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCC[C@@H]1C 1690449400 GCZKXSNZKGRGFF-OALUTQOASA-N 434.588 5.213 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)SC1=Nc1nccs1 1772733099 GZZVYTONUWXZFF-GNYMFXGWSA-N 440.506 5.244 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(C(C)C)cc2)SC1=Nc1nc(-c2ccccc2)cs1 1772737932 OFFZIOZQXLVCET-KHDUAGGOSA-N 445.613 6.724 30 10 IKEE O=C1/C(=C/C=C/c2ccccc2)SC(=NN=Cc2ccc(Cl)cc2)N1Cc1ccco1 1772758356 SOJHFCZKWQZDRS-PXQJJVEESA-N 447.947 5.996 30 10 IKEE Cc1ccc(-n2cc(/C=N\NC(=S)Nc3cccc(F)c3)c(-c3cccs3)n2)cc1C 1857808175 SMFWHEGTPOSVOR-MXAYSNPKSA-N 449.580 5.677 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)C1CCN(Cc2ccccc2)CC1 1861163807 JWQUYKKVISWAIK-VWLOTQADSA-N 443.676 5.050 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 1861561784 HPSHZAGHDDEYIX-MONSYSNTSA-N 442.688 6.539 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(CC)cc2)cc1 1862390714 KOILKQIBTUBICX-UKILVPOCSA-N 447.575 5.349 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCOc2ccccc2)c1 1862429224 ISTUUHFPFJSPCC-HSZRJFAPSA-N 447.918 5.306 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc2cc[nH]c2c1)c1cccc(Cl)c1 1862446266 NZDWUSKBHHSTBB-JOCHJYFZSA-N 434.923 5.732 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1c(F)cccc1Cl)c1cccc(Cl)c1 1862449353 JWTASOGQDSZQGT-LJQANCHMSA-N 446.261 5.504 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccc(Cl)cc2)c1 1862489862 JBTHPEQOGHVBLB-DEOSSOPVSA-N 445.946 6.044 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccc(O)cc2)c1 1862490393 UPXKWLZYDPSRCS-KOSHJBKYSA-N 427.500 5.349 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccc(F)cc2)ccc1F 1862501434 CCSBDUCHRLBSFP-HSZRJFAPSA-N 437.486 5.742 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(F)cc2F)ccc1F 1862503189 SDLYXAIOJWKDMW-QFIPXVFZSA-N 443.465 5.713 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1cccc(O)c1 1862535057 ZKHVZVLZUKSJMU-URXFXBBRSA-N 435.564 5.892 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2C2CCCCC2)cc1 1862536619 CGQKXTJOLGQBSC-VWLOTQADSA-N 447.575 5.949 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(N)c2)=C(O)C(=O)N1CCCCc1ccccc1 1862555312 USMUVIXSRPHWCB-RUZDIDTESA-N 440.543 5.178 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CCC(C)C)cc1 1862582217 YXKXHSMSEONTCH-OAQYLSRUSA-N 446.374 6.180 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)c1 1862596748 OLKZKTKQFCQYKK-CUHUQNRHSA-N 449.547 5.338 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc(C)cc2)cc1F 1862636807 OSVWVNOAWRZCGD-LERMDLETSA-N 437.511 5.300 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc2cc[nH]c2c1 1862660825 NDAFTWUOOWTTDK-XMMPIXPASA-N 446.547 5.296 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862670222 OOKWGFQSTLTWON-CLOONOSVSA-N 449.591 6.366 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1 1862672385 BWHGWEYWTDXRPH-OAQYLSRUSA-N 439.845 5.397 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2ccccc2Cl)cc1 1862689674 WTFOVKUTQMNBGG-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2C2CCCCC2)cc1 1862695936 KIHPGAFSMVKZIE-XMMPIXPASA-N 449.547 5.395 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(C)cc1 1862699378 UGOKSFUOOMJTIR-QPPBQGQZSA-N 435.564 5.941 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccc1C(=O)O 1862714890 OSOQTJHIDUOBQG-HSZRJFAPSA-N 443.499 5.307 30 10 IKEE Cc1ccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3ccccc3C#N)C2=O)cc1Cl 1862776751 DMGNRZUDENEVAJ-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE N#Cc1ccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 1862793096 WBOHPFQJVKXUIK-UHFFFAOYSA-N 434.282 5.262 30 10 IKEE N#Cc1ccccc1N1C(=O)C(Nc2ccc(Cl)cc2)=C(c2ccc(Cl)cc2)C1=O 1862805322 SLVXAXONWSFMSN-UHFFFAOYSA-N 434.282 5.262 30 10 IKEE CCCCCCCCN1C(=O)C(NCCc2cccs2)=C(c2ccc(F)cc2F)C1=O 1863661299 KHBIBCSBRYHLNI-UHFFFAOYSA-N 446.563 5.299 30 10 IKEE CCCCCCCCNC1=C(c2ccc(OC)cc2)C(=O)N(Cc2ccc(C)cc2)C1=O 1863666091 XDQVLBDTDMFXJG-UHFFFAOYSA-N 434.580 5.234 30 10 IKEE C=CCN(CC=C)c1cc(N(C2CCCCC2)C2CCCCC2)nc(-c2ccc(C)cc2)n1 1867962964 APHFZSKCBOYFAK-UHFFFAOYSA-N 444.667 7.102 30 10 IKEE CC(C)(C)c1nc(Nc2cccc(C#N)c2)cc(N2CCO[C@H](c3cccc(Cl)c3)C2)n1 1868333359 HOSNTWRHCMHKCM-NRFANRHFSA-N 447.970 5.621 30 10 IKEE CC(C)(C)CN1CCN(c2cc(Nc3ccc(C#N)cc3)nc(-c3ccc(F)cc3)n2)CC1 1868466053 NWDPEYZGVIDPQM-UHFFFAOYSA-N 444.558 5.066 30 10 IKEE N#Cc1nnn(-c2cccc(C(F)(F)F)c2)c1NC(=O)c1cccc(Oc2ccccc2)c1 1870153450 UFTCGEOALPITAP-UHFFFAOYSA-N 449.392 5.202 30 10 IKEE CCCCCCCCCCn1cc(OCc2cccc(C)c2)c(=O)cc1CN(CC)CC 1870623545 KYAJNUKOVBDNDG-UHFFFAOYSA-N 440.672 6.718 30 10 IKEE C=CCn1cc(OCCCOc2ccc(C)cc2)c(=O)cc1CNc1ccccc1CC 1871216507 YKOVDNXGAGGCHT-UHFFFAOYSA-N 432.564 5.365 30 10 IKEE CCCCc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CC(C)C)cc1 1871251470 GMJHXVOJWDKMPM-UHFFFAOYSA-N 443.591 5.910 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 1871369438 LPEFCJJDFUNHOZ-IWIPYMOSSA-N 432.447 5.515 30 10 IKEE Cc1cc(OC(=O)CCOc2ccccc2)cc2c1C(=O)/C(=C/c1ccc(Cl)cc1)O2 1871384468 SYGDTPNSTZHFSA-HMAPJEAMSA-N 434.875 5.639 30 10 IKEE Cc1c(OC(=O)/C=C/c2ccccc2)ccc2c1O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 1871385431 SBYJGSFPSRBAKU-XFXQNUIPSA-N 427.412 5.138 30 10 IKEE CCCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2sccc2C)C3=O)cc1 1871391018 PFZIFAOWKPRGAC-STZFKDTASA-N 448.496 5.597 30 10 IKEE Cc1cc(OCCCOc2ccccc2)cc2c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O2 1871398005 DFQIHNPDOGPYSN-ITYLOYPMSA-N 442.555 6.757 30 10 IKEE Cc1c(OCCCOc2ccc(Cl)cc2)ccc2c1O/C(=C\c1cccs1)C2=O 1871404541 DBFTZXFCJDVRRY-STZFKDTASA-N 426.921 6.174 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCCCCOc3cccc(C)c3)ccc2C1=O 1871405786 QFLRWJWCIFPSKK-IMRQLAEWSA-N 444.527 6.248 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCCOc4cccc5ccccc45)ccc3C2=O)cc1 1871415457 CMWVYFCCTVLQAU-VEILYXNESA-N 436.507 6.476 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccccc4Cl)c3C)C2=O)cc1 1871455115 BRCOOSZOFVSQKG-XKZIYDEJSA-N 449.890 5.291 30 10 IKEE CCCCCCCCN=c1nc(N(CCCC)CCCC)[nH]c(=Nc2ccccc2C)[nH]1 1871480255 RJUPWQNRRKIXFE-UHFFFAOYSA-N 440.680 5.946 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1871861814 QMCWYGVHNORDMM-JOCHJYFZSA-N 446.588 5.125 30 10 IKEE N#C[C@H](C(=O)CCCOc1ccccc1Cl)c1nc(-c2ccc(F)cc2F)cs1 1872767339 QUCXWESCQABWHG-OAHLLOKOSA-N 432.879 5.777 30 10 IKEE N#C[C@@H](C(=O)CCCOc1ccc(Cl)cc1)c1nc(-c2ccc3c(c2)OCO3)cs1 1872773857 ZNYKSACQLIRTRW-KRWDZBQOSA-N 440.908 5.228 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@@H](C#N)C(=O)/C=C\c3ccc4c(c3)OCCO4)n2)c1C 1872778379 KDQAAXFSRVFGLP-BPJPHKDRSA-N 444.556 5.705 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@@H](C#N)C(=O)c3ccc(-n4cccc4)cc3)n2)c1C 1872780861 MRQGAORVRDLQAZ-QFIPXVFZSA-N 425.557 6.325 30 10 IKEE CCCCOC(=O)c1cccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c1 1872847435 LRXJJHRQNGPSQL-UHFFFAOYSA-N 428.488 5.346 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccc(F)cc2)=C(c2cc(F)cc(F)c2)C1=O 1873109022 UZAGBNFGLZUEMX-UHFFFAOYSA-N 444.497 5.334 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(CC)cc2)=C(c2ccccc2)C1=O 1873413022 IACLEDYDQRVJRY-UHFFFAOYSA-N 432.608 6.582 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccccc3Cl)n2/N=C/c2ccccc2)cc1 1874265609 GOFOKDBQFSGTDF-CVKSISIWSA-N 448.979 5.993 30 10 IKEE CCCCC1CCC(c2nnc(SCC)n2/N=C/c2ccc(Cl)c(Cl)c2)CC1 1874285358 XANHOSNKYDJPGQ-ZVHZXABRSA-N 439.456 7.043 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(Cc3ccc(OCC)cc3)nnc2SC)cc1 1874302324 RVEXXLUZTKMUBY-XIEYBQDHSA-N 438.597 5.441 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874317614 CCGSSIYHCQJMSV-LGUFXXKBSA-N 436.625 5.972 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1ccc(N(C)C)cc1 1874327270 FXDOHODFSUFQPA-AFUMVMLFSA-N 435.597 5.090 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc[nH]1 1874375713 JXRXHVMNFWQDKQ-DHRITJCHSA-N 425.920 5.164 30 10 IKEE Cc1ccsc1/C=N/n1c(COc2ccccc2)nnc1SCc1ccccc1F 1874384553 VWXVMOVYXFTWJF-ZMOGYAJESA-N 438.553 5.541 30 10 IKEE C=CCSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1c(OC)ccc2ccccc12 1874389787 FTZULFNWVWVAKB-YZSQISJMSA-N 428.561 5.499 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2)n1/N=C/c1ccc(O)c(O)c1 1874395361 KWZXQNYGNMAIRT-STPJHCLOSA-N 430.533 5.016 30 10 IKEE Cc1ccsc1/C=N/n1c(Cc2cccs2)nnc1SCc1ccc(F)cc1 1874410428 SPLJRULYPRZGFX-WSDLNYQXSA-N 428.583 5.614 30 10 IKEE CSc1nnc(CC(C)(C)C)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874435349 AXYUIGONDGJVAG-ZVHZXABRSA-N 428.989 5.703 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874437614 KOJRMGSGIWIHKM-YDZHTSKRSA-N 427.505 5.089 30 10 IKEE CC(C)(C)c1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CC2)cc1 1874519737 JPVPLYATIRCDRJ-AFUMVMLFSA-N 425.001 6.281 30 10 IKEE Sc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1c(Cl)cccc1Cl 1874569029 DFZRTNMRNHYSEU-QPSGOUHRSA-N 448.162 5.642 30 10 IKEE O=C(/C=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCO2 1874582924 NOWGWCYZYUNXIM-RMKNXTFCSA-N 427.283 6.197 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1cc(Cl)ccc1OCc1ccccc1 1874589147 WERUEWNBGRYBSA-CSKARUKUSA-N 427.327 6.786 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2c(OCC(=O)OCC(C)C)ccc3ccccc23)c(C)c1 1874589919 JKDBRLZUFFPPSW-VAWYXSNFSA-N 430.544 6.239 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(C)c3)c([N+](=O)[O-])c2)cc1OC 1874602770 DDENOLFDBJUEBY-JXMROGBWSA-N 433.460 5.396 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 1874616551 HAWVIGGGZIDYDS-KPKJPENVSA-N 441.354 7.176 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(OC)ccc2OC)ccc1OCc1cc(C)ccc1C 1874619111 KBDDRCFQBOZWRE-FMIVXFBMSA-N 446.543 6.194 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OCC(=O)NC2CCCCC2)cc1 1874624378 AMYLTGOGPLGGHM-FOWTUZBSSA-N 449.591 5.717 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OC(=O)c1ccc(F)cc1F 1874696756 FRVXNONIWAZTHC-UXBLZVDNSA-N 428.818 5.742 30 10 IKEE O=C(COc1ccccc1)Oc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1Cl 1875084918 GVYUYCVEXNLBKD-PKNBQFBNSA-N 437.835 5.129 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(OC)c1OC(=O)CC(C)(C)C 1875096171 AFMNDDWXQLNVAN-JLHYYAGUSA-N 432.516 6.095 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(CC)cc3)cc2)cc1 1875100229 USBLHUJZEHJIHN-GIJQJNRQSA-N 430.500 5.528 30 10 IKEE CCCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccc(CC)cc2)cc1OCC 1875103174 NHZTZCRWGHRUJY-JLHYYAGUSA-N 445.353 6.012 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc4c(c3)OCO4)c(Cl)c2)c(C)c1 1875131660 IUEQFMNEVRZQAX-XBXARRHUSA-N 434.875 5.801 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC(=O)c1ccncc1 1875149089 XUGYFEAWPLSZDR-IZZDOVSWSA-N 445.515 5.512 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)cc(Cl)c1OC(C)=O 1875166169 TYGNTSXTPMZXNO-AATRIKPKSA-N 443.710 5.876 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1C 1875168704 QQAZWPDMKGWQPF-LICLKQGHSA-N 440.583 7.333 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)ccc1OC(=O)c1cccs1 1875186499 YOGPKYYMFPPBEG-RMKNXTFCSA-N 442.920 5.924 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc(OC)c1OC(=O)C(C)(C)C 1875194236 NSWGJUUQCFBJJI-PKNBQFBNSA-N 442.939 5.933 30 10 IKEE C=CCN(CC[C@@H](NCCC)c1ccc(Br)c(C)c1)C(=O)OC(C)(C)C 1876854853 XHFYUECCCIIOGP-LJQANCHMSA-N 425.411 5.611 30 10 IKEE O=C(NCc1ccccc1OC(F)(F)F)c1ccc(C(F)(F)F)cc1C(F)(F)F 1892144129 NYVKJGCKDXQRHC-UHFFFAOYSA-N 431.254 5.553 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@H](NC(=O)OC(C)(C)C)c1ccccc1)NCCC 1922059380 GLNNLXRBFDCKJM-RPBOFIJWSA-N 438.612 5.784 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1ccc(NC(=O)OC(C)(C)C)c(F)c1 1922067769 DOOCKGHRCZWMAG-QHCPKHFHSA-N 428.548 5.986 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@]1(C#N)CC(C)(C)[C@@H]1OCc1ccccc1 1939565952 XBDNTQDSWFQENG-RDPSFJRHSA-N 426.582 5.763 30 10 IKEE C[C@@H]1CC[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)[C@H](OCc2ccccc2)C1 1998820955 CGBBFNVWRJTFQJ-KKLQWCBXSA-N 427.549 5.592 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2)NCC 2006451439 UHRXJYQYVFRBIK-VABKMULXSA-N 428.617 5.211 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@](C)(C#N)C1CCSCC1 2029433492 BALIWHQBLYKXHA-LJQANCHMSA-N 425.392 5.616 30 10 IKEE Cc1ccccc1C=CC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2n(C(C)C)c1=O 2041623947 UTNIVIKWTXGUOG-UHFFFAOYSA-N 441.958 7.107 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c2)c1 2053612820 QEKOUUOOWCAIBD-UHFFFAOYSA-N 431.488 6.589 30 10 IKEE CCc1ccc([C@@H](C2CC2)n2nc(C3CCC3)c(/C=N/O)c2I)cc1 2079091251 ZUQOMIZNJCEOMR-OZNZCJATSA-N 449.336 5.125 30 10 IKEE Cc1ccc([C@H](C2CCC2)n2nc(C3CC3)c(C#N)c2I)cc1C 2079112495 VCOVJINWOBFFSC-IBGZPJMESA-N 431.321 5.243 30 10 IKEE CC(C)(C)[C@H](c1ccc(C(F)(F)F)cc1)n1nc(C2CCC2)c(C#N)c1Br 2079875740 YKFYFKCWGNKDNA-KRWDZBQOSA-N 440.307 6.439 30 10 IKEE CC(C)(C)[C@@H](c1ccc(C2CCC2)cc1)n1nc(C2CC2)c(C=NO)c1Br 2079952555 JWPQOQDDTHBSQN-HXUWFJFHSA-N 430.390 6.234 30 10 IKEE Fc1cc(C(F)(F)F)ccc1-c1c(C(F)(F)F)nn(C2CCC2)c1Br 2080744980 GXMIVAFSZXEXRC-UHFFFAOYSA-N 431.149 6.214 30 10 IKEE Fc1ccc(-c2c(C(F)F)nn(C(F)(F)F)c2Br)cc1C(F)(F)F 2080829316 LHBGGUBDTMHSHS-UHFFFAOYSA-N 427.064 5.884 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](CNc2cc(Br)ccc2C#N)C(F)(F)CC1 2162285354 XFNGLIUSIWVCQZ-AWEZNQCLSA-N 444.320 5.015 30 10 IKEE CC(C)(C)OC(=O)N1CCCC(C)(C)[C@H]1CNc1cc(Br)cc(F)c1C#N 2184312383 FNWMOZPKVPAABA-QGZVFWFLSA-N 440.357 5.297 30 10 IKEE CN(c1cc(Br)cc(F)c1C#N)[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 2190472866 VYLLHIHUUMEDAR-QUJKESNLSA-N 429.333 5.280 30 10 IKEE CC#CCCCC[C@H](NCCC)c1cc(I)ccc1Br 2196172032 ONYBGFZJIOBBMH-KRWDZBQOSA-N 448.186 5.678 30 10 IKEE C=CCCCCCCCC[C@@H](O)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2207424543 GKWJVTHUXDNQPD-HXUWFJFHSA-N 440.422 7.136 30 10 IKEE C#CCCCC[C@@H](NCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237427215 VONOQHNEFUOOOR-UXHICEINSA-N 437.422 5.057 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)C2(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 2249587144 SXAJTJPJLBAZOH-QSVWGWLCSA-N 447.963 5.231 30 10 IKEE Cc1cccc(NC(=O)OC(C)(C)C)c1C(=O)N1CCC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2268196210 ZVLPINIZKDDVHA-KRWDZBQOSA-N 444.381 5.040 30 10 IKEE CC(C)(C)C#CC=CCC(=O)c1ccc(Br)cc1I 2268761358 FUNUAZGWHOOFLF-UHFFFAOYSA-N 431.111 5.232 30 10 IKEE C=CCN(CC[C@H](O)c1cc(Br)cc(C(C)(C)C)c1)C(=O)OC(C)(C)C 2273013156 XYJLDYXTDCPMSA-SFHVURJKSA-N 426.395 5.593 30 10 IKEE CCCCCCCN1C(=O)NC(=O)C(=Cc2cn(Cc3ccccc3)c3ccccc23)C1=O 2296944815 MGOYZVKDBVPYIH-UHFFFAOYSA-N 443.547 5.122 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@H]1CCC[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C 2298153625 IGDLHWRRFXQWCG-OLKYXYMISA-N 428.617 5.163 30 10 IKEE CCCOc1c(OC)cc(C=NNc2nc(-c3ccc(OC)cc3)cs2)cc1OC 2318417893 JIDKNSOQGAJHEO-UHFFFAOYSA-N 427.526 5.071 30 10 IKEE Sc1nnc(CCc2ccccc2)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2321958812 VAJDZYDSXGLTOU-UHFFFAOYSA-N 448.979 5.467 30 10 IKEE CCCCCCCCCCN1COc2ccc3c(c2C1)OC(=Cc1cccs1)C3=O 2322130932 VHNFHFRHAWIEPE-UHFFFAOYSA-N 425.594 6.657 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2ccccc2C)cc1C 2322415963 QQJWKNJZOQBXRM-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccccc2C=CC(=O)c2ccc(C(C)(C)C)cc2)c1 2322681238 FZTZYQSNLHAHKE-UHFFFAOYSA-N 441.571 6.515 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O)c1cccc(Cl)c1 2322906407 NAAVONJQZGANCM-UHFFFAOYSA-N 445.685 6.482 30 10 IKEE COC(=O)c1ccc(C=C2Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc3C2=O)cc1 2323057434 PUOZLFSEPISCLX-UHFFFAOYSA-N 440.451 5.017 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1OCC(=O)Nc1ccccc1F 2323126532 HXTUWGHVRDWWJF-UHFFFAOYSA-N 439.870 5.401 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OCC(=O)Nc1ccc(C)cc1C 2323168493 BFYDWMPEWKFDHW-UHFFFAOYSA-N 447.506 5.673 30 10 IKEE COc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)ccc1OCc1cc(C)ccc1C 2323354430 AJPKIQAPUBMINN-UHFFFAOYSA-N 448.562 7.454 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)ccc1OCC(=O)NCc1ccccc1 2323481584 ZBEONWUCXOJZBL-UHFFFAOYSA-N 443.543 5.239 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)cc([N+](=O)[O-])c1OCc1ccccc1C 2323502189 SCLFQKLZUCPHRT-UHFFFAOYSA-N 447.487 5.786 30 10 IKEE O=C1C(=Cc2ccncc2)Oc2cc(OC(=O)c3c(Cl)ccc(Cl)c3Cl)ccc21 2323656639 WWTWVBAYHKEWFK-UHFFFAOYSA-N 446.673 5.877 30 10 IKEE C=CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1 2323866113 QPXCFZJIIQIBSQ-UHFFFAOYSA-N 438.479 5.951 30 10 IKEE C=C(C)COc1c(Br)cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1OC 2324070600 RAWSWJCERHTUGU-UHFFFAOYSA-N 443.381 6.606 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 2324169935 VATNBGILOBBJGL-UHFFFAOYSA-N 445.515 6.592 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(CC)cc1 2324195036 SCJOILKBWAOARM-UHFFFAOYSA-N 447.506 5.700 30 10 IKEE C=C(C)COc1c(OC)cc(C=CC(=O)c2cc(Cl)c(OC)cc2OC)cc1OC 2324425570 OSJXHLHHAAXCKA-UHFFFAOYSA-N 432.900 5.225 30 10 IKEE Cc1ccc2nc(-c3ccc(NC(=O)C(=O)C=Cc4ccc(C(C)C)cc4)cc3)sc2c1 2325493035 CCUATOGPUFRGNU-UHFFFAOYSA-N 440.568 6.616 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(N(CC)CC)cc1 2325514184 RWJPKFHVQOUUIO-UHFFFAOYSA-N 439.604 5.781 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2Cl)cc1OC(=O)Cc1ccc(F)c(C)c1 2325716692 FXZVMASSTQYTKR-UHFFFAOYSA-N 438.882 5.840 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3c(ccc(OCc4cccc(C)c4)c3C)C1=O)cn2C 2325720664 KSRVJHPVWZYQDB-UHFFFAOYSA-N 439.511 5.999 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2ccc(C)cc2C)cc1OC(=O)CC(C)C 2325735793 NKTWXBJXHSGJQJ-UHFFFAOYSA-N 445.353 5.922 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(C=CC(=O)c3ccc(C)c(C)c3)ccc2OC)c1 2325760038 BQZFTQAVGYIWJJ-UHFFFAOYSA-N 430.500 5.826 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OC(=O)c1ccccc1Cl 2325764232 ZMZAYUAOURMUKI-UHFFFAOYSA-N 434.919 6.389 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1cccs1 2325883343 SFOUWTFBGOILEN-UHFFFAOYSA-N 448.617 6.055 30 10 IKEE C=CCSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1cccc(OC)c1 2325913529 DFLOXZFTQGSQLT-UHFFFAOYSA-N 449.363 5.333 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccccc1C 2326074073 KCVTVLHXNGSZIE-UHFFFAOYSA-N 441.000 5.802 30 10 IKEE CCOc1c(Cl)cc(C=Nn2c(C)nnc2SCc2ccc(C)cc2)cc1OC 2326296015 HCGDDJUWPNCMGP-UHFFFAOYSA-N 430.961 5.130 30 10 IKEE CCCCC1CCC(c2nnc(SC)n2N=Cc2cc(OC)c(O)c(OC)c2)CC1 2328106515 KRJRMIZBHPOMHY-UHFFFAOYSA-N 432.590 5.069 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccccn2)cc1C 2328940914 WNWCFWNYRWSAIJ-UHFFFAOYSA-N 445.567 5.389 30 10 IKEE CCCCOc1ccc(C=Nn2c(CCc3ccc(C)c(C)c3)nnc2SCC)cc1 2328942044 FUOUDWVVEAUAEQ-UHFFFAOYSA-N 436.625 5.853 30 10 IKEE C=C(C)CSc1nnc(CCc2cccs2)n1N=Cc1cccc(OC)c1OCC 2329661973 NIDZJDLUSBCKPQ-UHFFFAOYSA-N 442.610 5.083 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2ccccc2Cl)cc1 2329940003 UPHUWJWOJVRVIW-UHFFFAOYSA-N 447.007 6.314 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)[C@H]1[C@@H]2CCC(F)(F)[C@@H]21 2330656958 RGETUSGKVQLHID-JONQDZQNSA-N 427.289 5.374 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(OC(C)=O)cc3)c(OC)c2)cc1 2330770272 LUABXTOBJNPTTA-UHFFFAOYSA-N 444.483 5.298 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c(C)c2)cc1Cl 2330863005 CYSUFRZWIWZDSF-UHFFFAOYSA-N 442.983 7.209 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(O)cc1O 2330863099 YJOXRUDMNZGDSU-UHFFFAOYSA-N 446.576 5.606 30 10 IKEE Cc1ccc(O)c(C=Nn2c(CC(C)(C)C)nnc2SCc2ccc(Cl)cc2)c1 2330867609 RVEASNRVQQSNOE-UHFFFAOYSA-N 428.989 5.709 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2)ccc1OC(=O)Cc1ccc(C)cc1 2330874392 GWJPNMTWROUQIS-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2ccccc2C)nnc1[C@@H]1CCCO1 2330896246 RDDDLXJWNSQHQF-QFIPXVFZSA-N 436.581 5.401 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(SCc2cccc(F)c2)nnc1[C@H]1CCCO1 2330935001 DAPSFYNFRCXQIY-OAQYLSRUSA-N 440.544 5.230 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc([C@H]2CCCO2)n1N=Cc1ccncc1 2330975477 PCONSABOUGUDRS-QGZVFWFLSA-N 434.352 5.006 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccs2)c(Br)c1)c1ccc(Cl)cc1 2331145434 PVKOZPFXFGSKKE-UHFFFAOYSA-N 447.737 6.279 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 2331179440 YDSPZIQCNLNUSJ-UHFFFAOYSA-N 428.528 6.498 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)c1ccc(F)c(F)c1 2331183517 YEJKUQRMKXLPDT-UHFFFAOYSA-N 434.438 5.817 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)cc3)c([N+](=O)[O-])c2)cc1 2331198680 HURMKPILDRSNDD-UHFFFAOYSA-N 445.471 5.346 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)c1ccccc1C 2331232316 IJWLXHLIGPZQCX-UHFFFAOYSA-N 440.539 6.464 30 10 IKEE COCCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(F)cc1 2331294248 HFHGLCXXEXDURR-UHFFFAOYSA-N 439.343 5.087 30 10 IKEE CC(C)(C)c1nnc(SCc2ccccc2F)n1N=Cc1ccc(Cl)c(Cl)c1 2331396905 LZBDVSZRFIFKPQ-UHFFFAOYSA-N 437.371 6.196 30 10 IKEE CC(C)Cc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1cccc2ccccc12 2331429598 KUSYQWLWJCXMMI-UHFFFAOYSA-N 443.576 5.243 30 10 IKEE Cc1nc2ccc(C(=O)Oc3ccc(C=CC(=O)c4ccc(F)cc4)cc3)cc2nc1C 2331512417 FPKHFMGHOMGLEF-UHFFFAOYSA-N 426.447 5.501 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)CC)c(OC)c2)c(OCC)c1 2331731116 YEMVWUWAUSBFEU-UHFFFAOYSA-N 432.900 5.358 30 10 IKEE Fc1cccc(CSc2nnc(C3CC3)n2N=Cc2ccc(Br)cc2)c1 2331735415 QINGBKSDGJUEOM-UHFFFAOYSA-N 431.334 5.232 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3cccs3)c([N+](=O)[O-])c2)cc1C 2331851552 QFFPPSOTFFFLGI-UHFFFAOYSA-N 437.473 5.397 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)C3CCCC3)c(Cl)c2)c(OC)c1OC 2331885764 JHYXUARVLHESKX-UHFFFAOYSA-N 444.911 5.358 30 10 IKEE Cc1cc(Cl)ccc1-n1nnc(C#N)c1NC(=O)C=Cc1ccc(Cl)c(Cl)c1 2332188788 WLRQBPNJHRUFAZ-UHFFFAOYSA-N 432.698 5.060 30 10 IKEE CC[C@](C)(CCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339587846 ZYGISTOANRJBNH-XMMPIXPASA-N 446.397 5.189 30 10 IKEE COc1ccccc1OCCS/C(=N/C#N)SCc1ccc(Cl)cc1Cl 15443965 BSOBMJYFASBDIY-PYCFMQQDSA-N 427.378 5.884 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)cc2Cl)cc1 20881562 FFTYQWGZIRBFIU-DNVCBOLYSA-N 444.358 5.787 30 10 IKEE Cc1ccc(C[C@@H](C#N)Sc2nnc(COc3ccccc3C)n2-c2ccccc2)cc1 24729763 SSBJMCPGIIMVRU-QHCPKHFHSA-N 440.572 5.690 30 10 IKEE CCn1nc(C)c(CCN/C(=N\C(=O)c2ccccc2)Nc2ccc(C(C)C)cc2)c1C 32973289 UWFGOXYFXNWPBB-UHFFFAOYSA-N 431.584 5.084 30 10 IKEE O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)O/C(=C/c1ccc(Br)cc1)C2=O 33775557 QTPQJWDEWHKIOE-OJPKGUMCSA-N 447.284 5.684 30 10 IKEE Cc1c(C(=O)Oc2ccccc2)oc2c1/C(=N/Nc1cccc(C(F)(F)F)c1)CCC2 40824082 WGNWIWIQULVHMI-MTDXEUNCSA-N 428.410 5.979 30 10 IKEE Cc1ccccc1C(=O)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 41284920 NBSOEUAHQZUCOU-PKAZHMFMSA-N 446.502 6.806 30 10 IKEE Cc1ccsc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(Cc1ccc2c(c1)OCO2)C3 41650069 JAQNVZOOSAZUBA-NKVSQWTQSA-N 447.512 5.062 30 10 IKEE C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3cccc(OC)c3OC(F)F)c12 96925846 RNWBLEPZCCOALG-SEYXRHQNSA-N 437.446 5.290 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)c2cccc3ccccc23)cc1 97992934 JUYXHMMZRRASHC-MNDPQUGUSA-N 430.507 6.597 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)c1ccccc1OCCCCCC 100146601 RBBIKVZSUUHKPR-UHFFFAOYSA-N 445.732 8.857 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)S/C1=N/c1nccs1 101127954 VVPRKYONQGZFRD-ROGFPXQNSA-N 436.345 5.944 30 10 IKEE CCCCCCCCCCCCn1c([C@H](C)Oc2ccc(Cl)cc2)nc2ccccc21 102189063 OPWPYECDOZGONZ-QFIPXVFZSA-N 441.059 8.751 30 10 IKEE CCCCCCCCCCCn1c(C)c(C(N)=O)c(-c2cccc(O)c2)c1CCCC 102448699 ZLDUJYNKCDGAMX-UHFFFAOYSA-N 426.645 7.141 30 10 IKEE Cc1cc(N2C(=O)C(=O)/C(=C(\O)c3cc4ccccc4o3)[C@H]2c2cccc(Cl)c2)no1 102731102 JEOOHVQHZYKLPK-GOBJLOIFSA-N 434.835 5.009 30 10 IKEE CCc1ccc(/C=C2/Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc3C2=O)cc1 107912190 JFYPJUOPKOVRNV-PCLIKHOPSA-N 426.512 6.382 30 10 IKEE CCCCCCCCCOc1ccc([C@@H]2CC(=O)c3ccccc3N2)cc1Br 169940677 CAJLYHBDDHJNIE-QFIPXVFZSA-N 444.413 7.318 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccc(O)cc2)c1 169958769 YMSANOFWXAXAHK-XMMPIXPASA-N 438.483 5.273 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccc(O)cc2)c(C)c1 169963003 YMNAYEBCLGUENV-HSZRJFAPSA-N 431.463 5.239 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2cccc(C)c2)c1 169966524 FIQBTWCZVTUNEP-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2cccs2)cc1 169985488 OQHPRLZVCKVIIJ-LJQANCHMSA-N 425.893 5.193 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2cccs2)c1 169985680 KECFBVASQHMDNT-FQEVSTJZSA-N 439.920 5.583 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccccc2)cc1 170048854 ULURMDYIRGBHHW-HSZRJFAPSA-N 431.919 6.246 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)c1 170070482 VLTPKHXCPFOQDT-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2c[nH]c3ccccc23)s1 170078509 VLVOPCGGMXTIDT-FQEVSTJZSA-N 435.549 5.152 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2cccc(O)c2)cc1C 170080609 KGHDSEMUPUDXGI-DEOSSOPVSA-N 427.500 5.409 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccccc2C)cc1 170088748 CITYHSXOQJAYEO-XMMPIXPASA-N 443.499 5.185 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccco2)c1 170089956 MIKJRGYTFADSFO-XMMPIXPASA-N 431.488 5.170 30 10 IKEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccco2)cc1 170097125 NMTJJMRXPPZEGQ-NRFANRHFSA-N 437.879 5.110 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2sccc2C)s1 170108209 VEBOPRVVKMRXBJ-KRWDZBQOSA-N 442.537 5.047 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(N(C)C)cc1 170129546 SYLFBIZCGZQQMN-QHCPKHFHSA-N 432.520 5.267 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(N(CC)CC)cc1 170138748 JUFUSYOPKZFSDF-VWLOTQADSA-N 442.559 5.674 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2ccccc2)c1 170141736 RPFNQXUARLXPBY-DEOSSOPVSA-N 427.500 5.565 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1cccc(C)c1 170146756 KCAYICKGZGQCJA-IBGZPJMESA-N 428.326 5.136 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1cccs1 170159519 WRZYSAPTXJSVRE-NRFANRHFSA-N 433.529 5.465 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC)c2)[C@@H]1c1ccc(Cl)cc1 170236619 RMLHTPQEIXTOSO-NRFANRHFSA-N 427.928 5.507 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(Cl)cc2)ccc1Cl 170236898 SESHSWPRSXWKNE-FQEVSTJZSA-N 446.330 5.523 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(F)cc2)cc1 170242334 SFPOKXUKWYXXRP-QHCPKHFHSA-N 437.511 5.526 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@H]1c1ccccc1C 170277264 OBJUHHAPJRURAZ-XMMPIXPASA-N 449.591 6.070 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccc(C)o2)ccc1Cl 170300242 MURBGYQZTOAXSU-NRFANRHFSA-N 437.879 5.341 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2sccc2C)cc1 170314307 DGDCPABPSXRUFV-QFIPXVFZSA-N 447.556 5.937 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2sccc2C)c1 170316355 JEAQZWZMOWLSSN-GOSISDBHSA-N 443.908 5.090 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(OC(C)C)cc2)cc1 170346856 CGMLRWAITCKFHW-QFIPXVFZSA-N 449.528 5.327 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1cccc2ccccc12)c1ccco1 170370639 QHLNEOCPAAPLAX-JOCHJYFZSA-N 429.859 5.869 30 10 IKEE CSc1nc(Nc2cccc(OC(F)(F)F)c2)c(C#N)c(-c2cccc(Cl)c2)n1 244045478 SZAIOSHUWZYGGA-UHFFFAOYSA-N 436.846 6.033 30 10 IKEE C=CCOc1c(Cl)cc(/C=C2\SC(=Nc3ccc(C)c(C)c3)N(C)C2=O)cc1OC 252625525 QLXKSMIXXCMNAE-QUXILYDTSA-N 442.968 5.764 30 10 IKEE CCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 253618018 LBERVHLCXUMDOT-KBJYCPDHSA-N 442.684 7.571 30 10 IKEE CCCCCCCCCCOc1ccc(N=Cc2ccc(O[C@H]3COCC=C3C)cc2)cc1 254494845 PJJHGXVGZRWLMN-LJAQVGFWSA-N 449.635 7.681 30 10 IKEE CCOc1c(/C=C2/SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)cccc1OC 254628956 NDDNXPBVFUQIJI-GXVPZIMRSA-N 444.556 5.898 30 10 IKEE COc1ccc([C@H]2CC(=Nc3cccc(Cl)c3)C(=O)N2c2cccc(Cl)c2)cc1 256001953 SPBGJDSPDBEMTN-JOCHJYFZSA-N 425.315 6.253 30 10 IKEE COc1cccc([C@@H]2C(c3cccc4ccccc34)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 526491031 JLJMWVXIAOZQHI-AREMUKBSSA-N 432.479 5.777 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(C)o2)c1 526515634 IXPRJNNDXUXJMJ-XMMPIXPASA-N 428.488 5.696 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccccc2OC)cc1 526603936 IWIGOTSQDWIGHY-VWLOTQADSA-N 440.499 5.413 30 10 IKEE COc1ccccc1/C=N\n1c(Cc2ccccc2)nnc1SCc1ccccc1F 526803618 DCPOALRTIJMUOV-QQXSKIMKSA-N 432.524 5.191 30 10 IKEE Fc1ccccc1CSc1nnc(Cc2ccccc2)n1/N=C\c1c[nH]c2ccccc12 526803801 NZLRCIKJXVGAHX-NTFVMDSBSA-N 441.535 5.664 30 10 IKEE COc1cc(/C=N\n2c(C)nnc2SCc2ccc(C(C)(C)C)cc2)cc(Cl)c1O 526805314 IMHRIXGMIPRYIS-MSXFZWOLSA-N 444.988 5.426 30 10 IKEE CCCCOc1ccc(/C=N\n2c(CC)nnc2SCc2cccc(Cl)c2)cc1 526811752 SLGSAUTVXWNREM-IWIPYMOSSA-N 428.989 5.847 30 10 IKEE CCCCc1nnc(SCc2ccc(Br)cc2)n1/N=C\c1ccc(C)o1 526821000 VCDNBLBTJYAJIJ-MTJSOVHGSA-N 433.375 5.459 30 10 IKEE CCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1ccc(OC)c(OC(C)C)c1 526822308 IKCQWHLJZWDBPH-YSMPRRRNSA-N 449.580 5.073 30 10 IKEE CC(C)(C)Oc1ccc(/C=N\n2cnnc2SCc2ccc(Cl)cc2Cl)cc1 526823693 NWNDUSGVSMPKAF-MYKKPKGFSA-N 435.380 5.937 30 10 IKEE Cc1ccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccc([N+](=O)[O-])cc2)o1 526829305 BFNUMJJRUTXCPQ-IWIPYMOSSA-N 447.520 5.047 30 10 IKEE C=CCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586241474 OWQSLKTZZNIOMU-UHFFFAOYSA-N 434.344 6.167 30 10 IKEE CC(C)c1nc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)cs1 696462392 MBESSAXSAZECSQ-INIZCTEOSA-N 436.375 6.035 30 10 IKEE CCOc1cc([C@@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)ccc1OC(F)F 698376790 MXSVHZIIMVGGPT-GOSISDBHSA-N 432.467 5.689 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@H](C#N)c1ccc(F)c(Br)c1 698830192 UZDAYOJPZMWRLS-SFHVURJKSA-N 425.342 6.113 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@H](C#N)c1c(F)cccc1Br 698869141 RQKCLTNAEUNGDR-QGZVFWFLSA-N 425.342 6.113 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCN(C(=O)OC(C)(C)C)CC2)c1 704041504 IBLKPCZQQWQRBF-DEOSSOPVSA-N 429.561 5.420 30 10 IKEE CCc1cc(C)cc(OCCSc2nc3ccc(N=Cc4ccccc4O)cc3s2)c1 1084392015 JHTAEUJQXQTTOD-UHFFFAOYSA-N 448.613 6.794 30 10 IKEE O=C1/C(=C/c2c[nH]c3ccccc23)SC(=Nc2ccncc2Cl)N1c1ccccc1 1772739200 YVMCJRSBJBXZFM-PHNMUWTHSA-N 430.920 6.025 30 10 IKEE N#Cc1cccc(NC(=O)Oc2cccc3c(NC(=O)Cc4ccccc4F)cccc23)c1 1858779798 DXKZCSYIRYYUJE-UHFFFAOYSA-N 439.446 5.643 30 10 IKEE N#Cc1c(NC(=O)CCCOc2ccc(Br)cc2Cl)sc2c1CCC2 1859480102 UNKQQSUFQWTXPR-UHFFFAOYSA-N 439.762 5.322 30 10 IKEE C=C(C)Cn1nc(C)c(CCC(=O)Nc2ccc3nc(CCc4ccccc4)[nH]c3c2)c1C 1860322328 JQKPUEQIDHDRJH-UHFFFAOYSA-N 441.579 5.309 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(OC)cc1OC 1861057160 JNYIQNIBJRFDRG-JOCHJYFZSA-N 434.621 5.105 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)c1ccc(-n2cccc2)cc1 1861774002 UAWMDDINPLRYBA-SANMLTNESA-N 425.617 5.633 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2F)cc1 1862390776 LXDNVIRJNKRXNH-DEOSSOPVSA-N 435.539 6.079 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(C)cc2)cc1C 1862400807 NGGZHRYBEOGXKC-VWLOTQADSA-N 441.527 5.133 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862404924 ISDZJAKWWCMCLT-SBUREZEXSA-N 435.564 5.678 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1Cl)c1ccccc1Cl 1862432557 HPDKTFBBNDRDLR-LJQANCHMSA-N 428.271 5.365 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2[C@H](C)CC)cc1 1862440217 VJBLOUVQODVYRW-ZHRRBRCNSA-N 441.955 5.896 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)c1 1862444159 WWNLEQGIQZLLJJ-UZUQRXQVSA-N 431.919 5.988 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2[C@H](C)CC)c1 1862450029 XZYMMQAWDNODHM-QVKFZJNVSA-N 427.928 5.506 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@@H]2c2ccccc2Cl)cc1 1862476260 HEDLXHJPLUNOQP-HSZRJFAPSA-N 447.918 5.306 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(Cl)cc1Cl 1862498965 VFDFQPOFBRMFAD-HXUWFJFHSA-N 448.346 5.225 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)cc1 1862529005 AWEPAFYFGMJVRC-HSZRJFAPSA-N 449.909 5.820 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2Cc2ccccc2)c1 1862534222 QYLPEJJUSUXRHT-RUZDIDTESA-N 441.527 5.426 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccc(C)cc2)cc1 1862534645 WKNLWPUYPZSHPU-KBMIEXCESA-N 425.528 5.897 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(Cl)cc1Cl 1862563097 VNDDSWSUKVSUAA-LJQANCHMSA-N 433.335 5.200 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C2CCCCC2)cc1 1862565242 RVGSNDSXHXXIGA-DEOSSOPVSA-N 447.579 5.026 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2cccc(Cl)c2)cc1F 1862641621 XEJBUDLOGVEXSB-HXUWFJFHSA-N 431.891 5.112 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(F)cc1 1862649979 KVFFPQKNZAIMFP-LAMXGVLKSA-N 443.518 6.136 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CCCCCC2)c1 1862662687 KWLUAPJUDBWYAG-VWLOTQADSA-N 447.575 6.120 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1ccccc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1 1862727653 JQGXIEHDQSWHKS-QHCPKHFHSA-N 440.455 5.003 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 1862747887 WPOVPJKLGGWEDF-JOCHJYFZSA-N 436.508 5.534 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(OC(C)C)cc2)=C(c2cc(Cl)ccc2Cl)C1=O 1863385375 MHTJMQCQHXVIMX-UHFFFAOYSA-N 431.319 5.159 30 10 IKEE CCCCCCCCN1C(=O)C(NCCc2cccs2)=C(c2ccccc2OC)C1=O 1863764967 DMRXWIKJJMUQQX-UHFFFAOYSA-N 440.609 5.029 30 10 IKEE Cc1ccc(C(=O)Nc2c(Br)cc(C#N)cc2Br)cc1Cl 1866033649 NVOUHXCJPJERMX-UHFFFAOYSA-N 428.511 5.297 30 10 IKEE N#Cc1ccccc1Nc1cc(N2CCO[C@H](c3ccccc3)C2)nc(Cc2ccccc2)n1 1868216240 WUKPRHXOJAAKKQ-VWLOTQADSA-N 447.542 5.261 30 10 IKEE N#Cc1nnn(-c2ccc(F)c(Cl)c2)c1NC(=O)c1c(Cl)ccc(Cl)c1Cl 1870153888 GSZIWRYCHIGANO-UHFFFAOYSA-N 445.068 5.144 30 10 IKEE C=CCOc1cn(Cc2ccccc2C)c(CSCCc2nc3ccccc3[nH]2)cc1=O 1870244285 IGLUAXLLBLVMOP-UHFFFAOYSA-N 445.588 5.122 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(C)cc2)c(CN(CC)CCCC)cc1=O 1870416684 JZGSFFOVKPTLAY-UHFFFAOYSA-N 426.645 6.176 30 10 IKEE CCCCCCCCn1cc(OCCCCC)c(=O)cc1CN(C)Cc1ccccc1 1870677886 YGXZOPOYVAZJIB-UHFFFAOYSA-N 426.645 6.410 30 10 IKEE C=CCOc1cn(CCc2ccc(C)cc2)c(CNc2cccc(C(F)(F)F)c2)cc1=O 1870809591 KYYUTKCFAIMLDR-UHFFFAOYSA-N 442.481 5.595 30 10 IKEE CCCCCCCOc1cn(C[C@H]2CCCO2)c(CNc2ccc(CC)cc2)cc1=O 1870833511 LTMBJIPBPTVRSS-XMMPIXPASA-N 426.601 5.551 30 10 IKEE CCCCCCCCCCOC(=O)COc1cc(-c2ccccc2)c2oc(=O)sc2c1 1871286355 FQJICCCALILGLY-UHFFFAOYSA-N 442.577 6.584 30 10 IKEE CCCCC[C@H](CC)N1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(N(C)C)cc1)C3=O 1871347818 XXBJOQUAFPEFJL-QAEYNFOBSA-N 448.607 6.188 30 10 IKEE Cc1c(OC(=O)/C=C/c2ccc(F)cc2)ccc2c1O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 1871366031 OQOOROXIHCBJJJ-BWXIOLLUSA-N 445.402 5.277 30 10 IKEE Cc1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)cc1 1871366373 BMVAHAONJRJWPM-PCAIFWSDSA-N 441.439 5.447 30 10 IKEE Cc1cc(OC(=O)c2ccc3nc(C)c(C)nc3c2)cc2c1C(=O)/C(=C/c1cccs1)O2 1871379172 OSXQUJDUJHASPY-UUYOSTAYSA-N 442.496 5.452 30 10 IKEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2sccc2C)C3=O)c(OC)c1 1871386868 RFGVEQYNORIRFF-NDENLUEZSA-N 436.485 5.218 30 10 IKEE CCCOc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(OC)c2)C3=O)c1 1871387748 MZFTYRVDFHYWSH-OYKKKHCWSA-N 444.483 5.628 30 10 IKEE CC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2C)C3=O)c1 1871390427 WBDWFULTFKIAGW-UCQKPKSFSA-N 428.440 5.064 30 10 IKEE COC(=O)c1ccc(COc2cc(C)c3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)o1 1871438526 CRADAQMOIVUJLY-FMCGGJTJSA-N 432.472 5.693 30 10 IKEE C=CCN(CC=C)c1nc(=NCCCCCCCC)nc(Nc2ccc(C(C)C)cc2)[nH]1 1871505201 UYLJOUAIAFXHSB-UHFFFAOYSA-N 436.648 6.111 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1C)C(C)C)S(=O)(=O)c1c(C)cc(C)cc1C 1872402812 NSUCBYVLKQRYRN-HSZRJFAPSA-N 442.625 5.150 30 10 IKEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(C)c(C)c1 1872523475 NFWPAPFYLNBIRP-XMMPIXPASA-N 442.625 5.150 30 10 IKEE N#C[C@@H](C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nc(-c2ccc3ccccc3c2)cs1 1872760081 GWGPXGAOKVFRPL-IBGZPJMESA-N 444.428 5.270 30 10 IKEE Cc1ccc(C)c(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1C 1872762117 DLXFLSZJHUFUMQ-QGZVFWFLSA-N 445.371 6.297 30 10 IKEE N#C[C@@H](C(=O)CCCOc1ccc(Cl)cc1)c1nc(-c2ccc(F)cc2F)cs1 1872766304 FJFKCQAXXRISLM-KRWDZBQOSA-N 432.879 5.777 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)c(C)c1 1872769182 LPNHGSQTXOUEOU-WMLDXEAASA-N 445.371 6.378 30 10 IKEE COc1ccc(OC)c(/C=C/C(=O)[C@@H](C#N)c2nc(-c3cc(C)ccc3OC)cs2)c1 1872771446 UYSXHTCZWKKBEF-ZLQZBKBYSA-N 434.517 5.034 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)Cc2ccc(F)c(C)c2)n1 1872786761 RPPWQFJAGIYIHN-QGZVFWFLSA-N 428.916 5.647 30 10 IKEE COc1cc(OC)cc(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)c1 1872788720 OUDJPJGRISHROK-NRFANRHFSA-N 444.512 5.479 30 10 IKEE Cc1sc([C@H](C#N)C(=O)CN2CCC(Cc3ccccc3)CC2)nc1-c1ccc(F)cc1 1872799251 FTVKFHBYRBIRAI-HSZRJFAPSA-N 447.579 5.389 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc(COc2ccc(/C=C/[N+](=O)[O-])cc2)cc1 1872859894 MMAXKXOXOWURKM-CZIZESTLSA-N 438.568 6.384 30 10 IKEE CCCCCCCCNC1=C(c2cccc(OC)c2)C(=O)N(Cc2ccccc2F)C1=O 1873047843 NZXYGMSABBLPNQ-UHFFFAOYSA-N 438.543 5.065 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2Cl)=C(c2cccc(OC)c2)C1=O 1873218498 QHVQHFHTMURMRD-UHFFFAOYSA-N 440.971 5.901 30 10 IKEE N#Cc1cccc(C(=O)Nc2nc(-c3cccs3)c(NC(=O)c3ccccc3)s2)c1 1873455079 YNCQEKKURVBAPH-UHFFFAOYSA-N 430.514 5.248 30 10 IKEE CCCCSc1nnc(CCC)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1873500757 CARHXPWQEVEBSC-PCLIKHOPSA-N 443.016 6.237 30 10 IKEE C=CCn1c(C(=O)NCc2ccccc2C)cc2c(N(CCCC)CCCC)ncnc21 1873593800 HWKRSDGOYMNQQI-UHFFFAOYSA-N 433.600 5.262 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)cc2C)cc2c(NCc3ccc(C)cc3)ncnc21 1873641623 DBYBLJYUUWEFPQ-UHFFFAOYSA-N 425.536 5.407 30 10 IKEE Cn1cc(/C=C2\Oc3cc(OCC(=O)NC4CCCCCC4)ccc3C2=O)c2ccccc21 1873863408 SOJZXROUSHGDMD-QFEZKATASA-N 444.531 5.012 30 10 IKEE Cc1ccc(/C=N/n2c(COc3ccc(Cl)cc3)nnc2SCc2ccccc2)cc1 1874264992 GBUBBAHMQPDHCN-CVKSISIWSA-N 448.979 5.993 30 10 IKEE C=CCSc1nnc(COc2c(C)cccc2C)n1/N=C/c1ccccc1OC(C)C 1874300313 NNQIAETUFRLWRV-MFKUBSTISA-N 436.581 5.421 30 10 IKEE Clc1cccc(CSc2nnc(CCc3cccs3)n2/N=C/c2cccnc2)c1 1874374103 HLALDLUVXKBRRW-ZVHZXABRSA-N 439.997 5.348 30 10 IKEE Cn1cccc1/C=N/n1c(COc2ccccc2)nnc1SCc1ccccc1Cl 1874384558 WCIMPOCPSPNQDV-ZVHZXABRSA-N 437.956 5.024 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2ccccc2)n1/N=C/c1ccc(F)cc1 1874398381 DBKJWHLBCYBRIR-WPWMEQJKSA-N 430.552 5.685 30 10 IKEE Oc1ccccc1/C=N/n1c(CCc2ccccc2)nnc1SCc1cccc(F)c1 1874401940 AFWBSADYPCVIMY-WGOQTCKBSA-N 432.524 5.083 30 10 IKEE Fc1ccccc1CSc1nnc(-c2cccs2)n1/N=C/c1ccc(Cl)cc1 1874422697 ZRDDRNAAAMNOCJ-FSJBWODESA-N 428.945 5.974 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(-c2cccs2)n1/N=C/c1ccccn1 1874423845 IGVUUWHXHNJPEK-FOKLQQMPSA-N 446.388 5.883 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2[C@@H]2CCCO2)cc1 1874446078 SAKBJXBYRIGMAZ-PGLVWIQMSA-N 426.973 5.520 30 10 IKEE FC(F)(F)c1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccncc1 1874463132 UPNZWOFCOHGYEN-LIMNOBDPSA-N 432.258 5.173 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc(F)c2)n1/N=C/c1cccc(Br)c1 1874482943 VXLZHERIWYSFSC-FSJBWODESA-N 447.377 5.652 30 10 IKEE COc1cc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CCC2)ccc1O 1874496923 LFIQNJUWKVSIAA-FSJBWODESA-N 428.945 5.088 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc(O)c(O)c1 1874511018 GWPPFHDVRKBBCJ-LSHDLFTRSA-N 437.352 5.123 30 10 IKEE CCCOc1c(/C=N/n2c(SCc3ccccc3F)nnc2C2CC2)cccc1OC 1874519752 KFLHJXXXGIYTJM-AFUMVMLFSA-N 440.544 5.267 30 10 IKEE CSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccc(F)cc1 1874542147 LZVDTXKAKVUXCJ-ZMOGYAJESA-N 432.952 5.303 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2/C=C/C(=O)c2cc(C)ccc2C)c1 1874580472 PFPVPMKZKHROKH-PKNBQFBNSA-N 447.962 6.487 30 10 IKEE COC(=O)c1ccc(COc2cccc(/C=C/C(=O)c3cc(C(C)C)c(OC)cc3C)c2)o1 1874598704 ZWTBHDKNCAVBGX-PKNBQFBNSA-N 448.515 5.982 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc([N+](=O)[O-])c1OCCc1ccccc1 1874609419 QEEJWAUPKHGUQZ-NTEUORMPSA-N 447.487 5.520 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Cl)c1OCc1ccc(C)cc1 1874612207 IEVUPMLXZZWWBR-ZHACJKMWSA-N 427.327 6.786 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1cccc(C)c1 1874616015 XBWRAGNCHORUAE-YRNVUSSQSA-N 441.354 7.176 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OCc1ccc(Cl)cc1 1874621067 IGZRLIISTAQIMP-BJMVGYQFSA-N 436.891 5.943 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1Cl)Nc1nccs1 1874623627 MWCOKNCIJRQOCC-CSKARUKUSA-N 448.931 5.863 30 10 IKEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc1Cl 1874633714 QWEQCUPLNSYZMT-FNORWQNLSA-N 436.335 5.112 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2ccccc2OC)cc1OC(=O)C(C)(C)C 1874698871 RELVBJABINOCDJ-ZHACJKMWSA-N 447.325 5.314 30 10 IKEE CCC(=O)Oc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)c(Br)cc1OC 1874712839 SSXQQPLIIINTKO-VQHVLOKHSA-N 447.325 5.295 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccccc2OC)c1 1874715324 ODQZKYYPMPQREL-VAWYXSNFSA-N 436.891 5.781 30 10 IKEE COCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-] 1875078239 GDSOWOHFGRLAHM-NTUHNPAUSA-N 431.444 5.100 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3Br)cc2)c1 1875102890 RTWKIHNPOHPESK-SDNWHVSQSA-N 437.289 5.573 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)c(F)c3F)c(OC)c2)c1 1875104350 SHNIIYBQZGFBHD-UXBLZVDNSA-N 442.389 5.236 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)[C@H]1CCCO1 1875111864 NPOKGYMGJKHNAJ-JBVUFVISSA-N 435.303 5.373 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)c(OC)c2)cc1 1875114892 BEXOPAXVBHYYMV-YCRREMRBSA-N 446.543 5.722 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(N(C)C)cc3)cc2)cc1 1875137318 GXZNWUYFNUPWEO-CNHKJKLMSA-N 429.516 5.657 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc([N+](=O)[O-])c1OC(=O)c1ccccc1 1875140807 YMPPKDCOLFYXEY-OUKQBFOZSA-N 445.471 5.726 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 1875143518 DAWNTYPDBYBFHP-RMKNXTFCSA-N 444.571 6.412 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1ccccc1Cl 1875157387 VZJYYENYLJJKBI-RIYZIHGNSA-N 434.919 6.587 30 10 IKEE COCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc1Cl 1875162585 GKDYJVIAVLYFHV-SOFGYWHQSA-N 430.928 5.618 30 10 IKEE CCCC(=O)Oc1c(OCC)cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1[N+](=O)[O-] 1875169097 IYECATJABYNKSJ-ZHACJKMWSA-N 439.508 5.829 30 10 IKEE CCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc1Br 1875192695 XIYSCKRBRQTUSP-DHZHZOJOSA-N 439.305 5.822 30 10 IKEE N#Cc1ccc(OC2CCN(C(=O)c3ccc(C(F)(F)F)cc3C(F)(F)F)CC2)cc1 1890157215 HTMXWVZIBHPQPJ-UHFFFAOYSA-N 442.359 5.279 30 10 IKEE C=CCC[C@@H](COc1ncc(Br)cc1C(F)(F)F)NC(=O)OC(C)(C)C 1903152627 VWJRBSJJEHHOOR-LBPRGKRZSA-N 439.272 5.101 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C=Cc1ccc(NC(=O)OC(C)(C)C)cc1)NCCC 1922074406 MSOIGNWZEBJMQQ-RUZDIDTESA-N 436.596 6.188 30 10 IKEE C=C([C@@H](NC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)[Si](C)(C)C 2016681407 AUJXPGLQLBSKFN-HHHXNRCGSA-N 431.652 6.539 30 10 IKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCN(C(=O)OC(C)(C)C)CCC1(F)F 2020298328 SQIUCDUDONDOLK-IIBYNOLFSA-N 445.551 5.341 30 10 IKEE CCCC#CC[C@@H](NCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2024373689 RPPSLIXCDFGHNS-BVAGGSTKSA-N 428.617 5.002 30 10 IKEE COc1cc(C=C(C(=O)c2ccccc2)c2nc3ccccc3s2)cc(Cl)c1OC 2040456854 GANPHQJZEVJECL-UHFFFAOYSA-N 435.932 6.390 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)C2(CCC2)C1 2075895679 NZSNDAVTRVCJAK-WOJBJXKFSA-N 447.620 5.486 30 10 IKEE CC[C@@H](c1ccc(C(F)(F)F)cc1F)n1nc(C2CC2)c(C=NO)c1Br 2079926891 JANGGNBOCZHQLL-AWEZNQCLSA-N 434.231 5.488 30 10 IKEE Cc1cc(C)c([C@H](C2CC2)n2nc(C3CCC3)c(C#N)c2I)c(C)c1 2080012856 VGTRKWPXCRJOCJ-FQEVSTJZSA-N 445.348 5.552 30 10 IKEE CC(C)(C)[C@@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)(F)F)c(C(=O)O)c1Cl 2080048825 YDSFVHDQRLADSU-GFCCVEGCSA-N 446.750 6.047 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NC)c2cccc(Br)c2Cl)C1 2081416671 RRCABTITLIQYAL-MRXNPFEDSA-N 429.786 5.224 30 10 IKEE CCCN[C@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)c1ccccc1 2095877921 RSGAVGZEGOBDAA-GDLZYMKVSA-N 440.635 5.039 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@]1(C#N)CN(Cc2ccccc2)[C@@]2(CCCOC2)C1 2100055810 PTUBAXJNHJGWSP-RRPNLBNLSA-N 447.579 5.146 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@H](C#N)c1c(F)cc(Br)cc1F 2114283310 NHCVVSGKLFSCTE-HNNXBMFYSA-N 443.313 5.791 30 10 IKEE CC(C)N[C@@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)C1CCCCC1 2142969993 JWXBDYFAEDYOKJ-LJAQVGFWSA-N 446.683 5.461 30 10 IKEE CC(C)(C)OC(=O)N1CCCc2cc(Nc3ccc(Br)cc3C#N)ccc21 2162419626 JOVDPWBEGUKOTP-UHFFFAOYSA-N 428.330 5.752 30 10 IKEE COc1cc(Br)ccc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2165551213 KIQTVVXZJIXROM-QGZVFWFLSA-N 435.293 5.603 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc2c(c1)N(c1cc(Br)cnc1C#N)CCC2 2174710035 MGPKKWPQCAOLNC-UHFFFAOYSA-N 429.318 5.147 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1sc(C)c(Br)c1C 2219016559 DJTYYBMLIHPELK-HOCLYGCPSA-N 429.424 5.085 30 10 IKEE C=CC[C@H](C)[C@H](NCCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237425639 VETKLCTZFRFUJC-DBVUQKKJSA-N 439.438 5.465 30 10 IKEE N[C@@H](C#Cc1ccc(Br)cc1)c1cc(Br)c(Br)s1 2264199042 ANVWIHMQUOJVHL-NSHDSACASA-N 449.993 5.087 30 10 IKEE C[C@@H](N=C1SC(=C2Sc3ccccc3N2C)C(=O)N1C1CCCCC1)c1ccccc1 2295201852 IBIGNXGUBHLRGR-QGZVFWFLSA-N 449.645 6.423 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)CC(C)(C)[C@@H](C)NC(=O)OC(C)(C)C 2296296772 RHYHAAZWROKXBD-APWZRJJASA-N 437.422 5.108 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2c(Cl)cccc2Cl)C3=O)cc1 2296865725 DIMKHRGTGAWQFP-UHFFFAOYSA-N 441.266 5.837 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1COc1ccc(Cl)cc1Cl 2297104384 PPPUKZBDLULFAN-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE C=CCSC1=NC(=Cc2ccc(OC)cc2OC)C(=O)N1c1ccc(F)c(Cl)c1 2297337951 ZJUJBIUOAOEXMO-UHFFFAOYSA-N 432.904 5.159 30 10 IKEE Cc1ccc(N=C2NC(=O)SC2=Cc2ccc(-c3cccc(Cl)c3Cl)o2)cc1 2314482661 QXBYHCJWIUXUEQ-UHFFFAOYSA-N 429.328 7.089 30 10 IKEE O=C1C(=Cc2cn(-c3ccccc3)nc2-c2ccco2)Oc2ccc(Br)cc21 2314519576 UBMTYRMJLFKGQP-UHFFFAOYSA-N 433.261 5.511 30 10 IKEE C=C(C)CSc1nnc(C)n1N=Cc1ccc(OCc2ccc(C)cc2)c(OCC)c1 2321152256 WNWZKWRBDIFOHT-UHFFFAOYSA-N 436.581 5.423 30 10 IKEE COC(=O)c1ccc(C=C2Oc3cc(OCc4ccccc4Cl)cc(C)c3C2=O)cc1 2321762248 BLHQWBBLZJINKI-UHFFFAOYSA-N 434.875 5.630 30 10 IKEE COc1ccc(OC)c(C=C2Oc3cc(OCc4ccc(Cl)cc4)cc(C)c3C2=O)c1 2321767455 WOWGJSPTJNFHOD-UHFFFAOYSA-N 436.891 5.861 30 10 IKEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1cccc(Cl)c1)Nc1nccs1 2322527802 QCHOEPQNISAGHZ-UHFFFAOYSA-N 433.316 5.364 30 10 IKEE COc1cccc(C=CC(=O)c2cccc(Cl)c2)c1OCc1c(Cl)cccc1Cl 2322527958 GQFVJMULBGRUIS-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE Cc1ccc(C(=O)C=Cc2c(OCC(=O)NCc3ccccc3)ccc3ccccc23)c(C)c1 2322570071 LOZCZETXOYIEKE-UHFFFAOYSA-N 449.550 6.048 30 10 IKEE CCN(CC)C(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccc(OC)c(F)c1 2322708316 OMTWEGJJIDMLCK-UHFFFAOYSA-N 435.495 5.131 30 10 IKEE Cc1cc(OC(=O)Cc2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1ccc(C(C)C)cc1)O2 2322900930 AQXZANITVLMXKY-UHFFFAOYSA-N 446.930 6.536 30 10 IKEE COc1cc(Br)cc(C=CC(=O)c2c(C)cc(C)cc2C)c1OCCCO 2322951203 UNPSKYOKYXXPKF-UHFFFAOYSA-N 433.342 5.040 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3cccc(C)c3)c2)cc1 2323063404 WJFFWVQCKXWJDJ-UHFFFAOYSA-N 429.516 5.480 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3ccc(F)cc3)c2)cc1 2323078560 LGCHASFOABFXMR-UHFFFAOYSA-N 431.507 6.082 30 10 IKEE COc1cc(C=NNc2nc(C)c(C)c(O)n2)ccc1OCc1ccc(Cl)cc1Cl 2323240139 GAFUJXVITAOESD-UHFFFAOYSA-N 447.322 5.139 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(OC)c1OCc1ccc(C)cc1 2323409530 CCNOCOMHOCIPMN-UHFFFAOYSA-N 448.562 7.360 30 10 IKEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc4c(c3)CCCC4)cc2OC)o1 2323437774 XLYMDWSOQHUMFH-UHFFFAOYSA-N 446.499 5.429 30 10 IKEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@H](C2CCC2)C1 2323474400 OMJZZYNYNQVOQQ-NVQXNPDNSA-N 442.600 5.088 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1 2323540462 DYTWRHSYADHDQE-UHFFFAOYSA-N 449.934 7.066 30 10 IKEE Cc1c(OC(=O)c2cccc(OCC(C)C)c2)ccc2c1OC(=Cc1cccc(F)c1)C2=O 2323580306 WRYOXBNLNXATAL-UHFFFAOYSA-N 446.474 6.004 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(C)c2)C3=O)CC1 2323652968 WRQQFFHAWAKHKB-UHFFFAOYSA-N 432.560 6.822 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccn2)C3=O)c(OCC)c1 2323790102 IIZLPELJNOWNMK-UHFFFAOYSA-N 445.471 5.023 30 10 IKEE CCCOC(=O)COc1ccc(C=CC(=O)c2ccc(OCC)cc2)cc1Br 2323832214 XYOJSGXBRKUQGE-UHFFFAOYSA-N 447.325 5.076 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2323865636 DQPNSZDTMAGHAC-UHFFFAOYSA-N 446.886 6.049 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1cc(C)cc(C)c1 2323921271 RLJJYTNFFJGLKD-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)NCCC)cc2)cc1 2324208789 MTHZFVQPMJZZJT-UHFFFAOYSA-N 437.580 5.837 30 10 IKEE C=CCOc1c(OCC)cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc1[N+](=O)[O-] 2324266150 UGGAJXGSODQLPW-UHFFFAOYSA-N 439.508 5.895 30 10 IKEE CCn1cc(C=C2Oc3cc(O[C@@H](C)C(=O)OC(C)C)cc(C)c3C2=O)c2ccccc21 2324305376 NWDHNYOVYAKMKL-KRWDZBQOSA-N 433.504 5.305 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(O[C@H](C)C(=O)Nc3ccccc3)ccc2C1=O 2324400528 READDIGDNSKLMI-QGZVFWFLSA-N 429.472 5.108 30 10 IKEE Cc1ccccc1C=C1Oc2cc(O[C@@H](C)C(=O)Nc3ccccc3C)cc(C)c2C1=O 2324412984 SNXLHOBNLABXPY-IBGZPJMESA-N 427.500 5.634 30 10 IKEE C=C(C)COc1c(Cl)cc(C=CC(=O)c2ccc(OCC)cc2OCC)cc1OCC 2324494692 WPHZHCPDUJVZQP-UHFFFAOYSA-N 444.955 6.387 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1ccc2c(c1C)OC(=Cc1ccc(F)cc1)C2=O 2325092751 DZJNQAWWPGYHRZ-NRFANRHFSA-N 440.511 6.031 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)CCc3ccccc3C)c2)cc1C 2325713791 UEGYDFHQCJLGBW-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1OC(=O)c1cccc2ccccc12 2325727297 BMEASRLCJNRELB-UHFFFAOYSA-N 442.898 6.617 30 10 IKEE COc1ccccc1CC(=O)Oc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC 2325750235 QPQAALKQUJCOND-UHFFFAOYSA-N 444.527 5.871 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1N=Cc1c(OCC)ccc2ccccc12 2326380087 HTZYFTZXVWYZQG-UHFFFAOYSA-N 444.604 6.265 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1ccc(C(C)(C)C)cc1 2326417648 MVOIUXBQWBZACM-UHFFFAOYSA-N 434.653 6.710 30 10 IKEE CCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccccc1COc1ccccc1 2326731142 RECJUMXOPOSVTE-UHFFFAOYSA-N 446.551 5.733 30 10 IKEE Cc1ccccc1OCCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc[nH]1 2327061551 QDIWANUWUVVURL-UHFFFAOYSA-N 449.555 5.240 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1ccc(N(C)C)cc1 2328179716 PACWVLCTMYWUDX-UHFFFAOYSA-N 425.646 5.968 30 10 IKEE CCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1ccc(Cl)cc1Cl 2328475138 YHFQNCXXYTYUTR-UHFFFAOYSA-N 436.324 5.078 30 10 IKEE CCCSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1cn(C)c2ccccc12 2328799153 JQAPJURJNHPJSN-UHFFFAOYSA-N 433.581 5.350 30 10 IKEE Cn1cccc1C=Nn1c(SCc2ccc(F)cc2)nnc1-c1ccccc1Cl 2329539861 LUUMESUXIWAFRK-UHFFFAOYSA-N 425.920 5.251 30 10 IKEE Cc1ccsc1C=Nn1c(Cc2ccc(F)cc2)nnc1SCc1cccc(F)c1 2329819016 NKWNJSHKOUYRLB-UHFFFAOYSA-N 440.544 5.692 30 10 IKEE Cc1cccc(C=Nn2c(SCc3cccc(F)c3)nnc2[C@@H](C)c2ccccc2)c1 2330078392 XOWAHOFCFPNRIR-IBGZPJMESA-N 430.552 6.052 30 10 IKEE CCc1ccc(C=Nn2c(SCCc3ccccc3)nnc2[C@H](C)c2ccccc2)cc1 2330113224 UCQQFTULIKYFLX-OAQYLSRUSA-N 440.616 6.209 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)C=Cc1ccc([N+](=O)[O-])cc1 2330576637 QVQMBYSFUAXZJM-HSZRJFAPSA-N 445.604 5.540 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(-c2ccccc2)n1N=Cc1cccs1 2330707344 VIGJNMCCSZSUNA-UHFFFAOYSA-N 428.945 5.974 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(OC)c3)cc2)c1 2330710777 BJMVRCDOPWWTJR-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc4ccccc4n3C)c(OC)c2)cc1 2330993307 RNAUPBWNUXPWHO-UHFFFAOYSA-N 441.483 5.311 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3F)cc2Cl)cc1C 2331087271 QNVNYZOKFAELTH-UHFFFAOYSA-N 440.873 6.279 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc3ccccc23)c(Cl)c1)c1cccc(Cl)c1 2331122942 HOCXKKSZMHJDOS-UHFFFAOYSA-N 447.317 7.262 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OC(=O)Cc1cc(C)ccc1C 2331135997 PDGOKHHHSCMDGN-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2331136429 ZWUOIKKBZDZVNB-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2[N+](=O)[O-])cc1C 2331146885 OORSPAHBAXNNLS-UHFFFAOYSA-N 435.863 5.980 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)COc1c(C)cccc1C 2331180291 SBXXESWGLRLIFS-UHFFFAOYSA-N 430.500 5.583 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3F)c(Cl)c2)cc1 2331198198 FUCQEWSPOWRMJL-UHFFFAOYSA-N 442.845 6.132 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2)cc1 2331215977 HYHVNLOJAWWPFC-UHFFFAOYSA-N 428.528 6.273 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1cccc(C)c1 2331371963 XHMDPJHQEXFILN-UHFFFAOYSA-N 430.500 5.826 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(Cl)cc1Cl 2331434260 MHNQVTBVEPWNEP-UHFFFAOYSA-N 437.371 6.097 30 10 IKEE Cc1ccccc1NC(=O)CSc1nnc(CC(C)C)n1N=Cc1ccccc1Cl 2331443430 QBJUKDCPLZVLOF-UHFFFAOYSA-N 441.988 5.051 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)cc1F 2331451259 IPEWBJZXSNEGOH-UHFFFAOYSA-N 435.407 5.166 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)c(OC)cc2OC)ccc1OC(=O)C1CCC1 2331701559 QJRNOUITTCAJIL-UHFFFAOYSA-N 444.911 5.358 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)Cc1ccc(OC)cc1 2331708674 IQELYJYOTMSDES-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccncc3)c(OC)c2)c(OCC)c1 2331741092 PJOHMWYFEOOQRL-UHFFFAOYSA-N 447.487 5.003 30 10 IKEE N#Cc1nc(-c2ccc(Br)o2)oc1NN=Cc1cccc(Oc2ccccc2)c1 2331936432 BKQZSKFPMDZKAM-UHFFFAOYSA-N 449.264 5.807 30 10 IKEE C[C@H](CNC(=O)OC(C)(C)C)C[C@H](C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339595767 DOQOEEQMCWXNJR-ROUUACIJSA-N 446.397 5.044 30 10 IKEE Cc1cc(Br)c(OCc2ccc(C#N)c(F)c2)cc1NC(=O)OC(C)(C)C 2370431497 LZQGPYGZWQMYKF-UHFFFAOYSA-N 435.293 5.694 30 10 IKEE COc1ccccc1/C=C/C=C1/Oc2cc(OCc3c(F)cccc3Cl)ccc2C1=O 2411653 QBXJVZOFNGZRQZ-RXDGHQROSA-N 436.866 6.239 30 10 IKEE CCOC(=O)c1sc(NC(=O)CCCOc2ccc(C(C)(C)CC)cc2)c(C#N)c1C 2609394 SUVXRDJEMMFKDB-UHFFFAOYSA-N 442.581 5.590 30 10 IKEE COc1cc([C@H]2Nc3c(ccc4ccccc34)C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O 2799778 MWABJNLAKLQDNP-HSZRJFAPSA-N 433.935 6.517 30 10 IKEE N#Cc1cnc2c(/N=N/c3ccccc3Cl)c(N)nn2c1-c1nc2ccccc2s1 8448167 IDTPYYWCUPVNEC-CYYJNZCTSA-N 430.884 5.529 30 10 IKEE CSc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)cc1 20884349 VIWOWKFGXVSVCO-QYBDOPJKSA-N 430.548 6.527 30 10 IKEE COc1ccc(-n2c(-c3ccc(F)cc3)cc(/C(C)=N\OCc3cccc(F)c3)c2C)cc1 35843473 GIMIPXJLGMIPSD-YKQZZPSBSA-N 446.497 6.680 30 10 IKEE C=CCOc1cccc([C@@H]2c3c(oc4ccc(CC)cc4c3=O)C(=O)N2c2nccs2)c1 38730598 BPESUSLOKGJAAU-OAQYLSRUSA-N 444.512 5.127 30 10 IKEE C/C(=C1/S/C(=N/c2cccnc2Cl)N(C2CCCCC2)C1=O)c1ccc(O)cc1 39864172 OTPQHYVROSZEES-ORONYANGSA-N 427.957 5.767 30 10 IKEE C=CCn1c(CNCCc2ccc(Br)cc2)nc2ccc(SCCC)cc21 43257852 VEIBAOPURDPWNJ-UHFFFAOYSA-N 444.442 5.819 30 10 IKEE Cc1ccc(/N=C2/C(=O)N(CN(C3CCCCC3)C3CCCCC3)c3ccccc32)cc1 59378058 AWQBGDBDEMMJIM-ORIPQNMZSA-N 429.608 6.387 30 10 IKEE Cc1sc2nc(C)n(Cc3cccc(C#N)c3)c(=O)c2c1-c1ccc(C(C)(C)C)cc1 96525362 GITPZNOYJOSODZ-UHFFFAOYSA-N 427.573 5.959 30 10 IKEE CCCCCCCCCCCCCCCCNCc1ccccc1OCc1ccccc1 100125238 RLNAMBBYAHAHSA-UHFFFAOYSA-N 437.712 8.837 30 10 IKEE CN1/C(=C/C(=O)COC(=O)c2ncc(Cl)c(Cl)c2Cl)C(C)(C)c2ccccc21 104408264 PIYVOMOMTSZOKO-OVCLIPMQSA-N 439.726 5.079 30 10 IKEE C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(C)c2C)S/C1=N/c1ccc(C)c(Cl)c1 104899023 KTPDPPXJUVXQGD-XUKXGFMLSA-N 441.984 5.412 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccc(C)cc2)cc1 169925353 WXJHOVSIZHDGSE-XMMPIXPASA-N 427.500 5.403 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2cccc(C)c2C)c1 169933949 JEHSWECYEUXHIR-XMMPIXPASA-N 427.500 5.403 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccc2OC)cc1 169940009 SFCHDFQWHLOVRY-QHCPKHFHSA-N 431.463 5.180 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc(F)c(C)c2)=C(O)C(=O)N1c1cc(C)cc(C)c1 169941197 SVKYIBNTAMXDRI-DEOSSOPVSA-N 445.490 5.542 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccc(O)cc2)cc1C 169959975 GUWGITCYBFCGTD-DEOSSOPVSA-N 438.483 5.273 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@@H]1c1ccncc1)c1cccc(Cl)c1 170018277 GCILFWKAGHHIPR-LJQANCHMSA-N 443.261 5.310 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2ccncc2)c(C)c1 170019242 ARSLSUQSBMGXDB-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2ccccc2C)c1 170037439 VGDBWULQDAAECH-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2)cc1 170049333 AKXDPRWTYSJZLR-HSZRJFAPSA-N 429.491 5.906 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(Cl)cc1 170059961 KUSXCMIDCATXDU-OAQYLSRUSA-N 443.902 5.399 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccco2)cc1C 170098094 FWMFIPRUSCDAAP-HXUWFJFHSA-N 430.485 5.289 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2cccc(OCC(C)C)c2)=C(O)C(=O)N1C1CCCC1 170125930 NERQUZKXXUTKQZ-DEOSSOPVSA-N 449.547 5.251 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1cccc(C)c1 170140785 UUSNAPPWAYGFKE-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2cccs2)cc1 170156942 PUEDVVRKPVTUCW-FQEVSTJZSA-N 434.473 5.002 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccncc2)c1 170202736 SDUXAXXHWZDMQJ-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccncc2)cc1C(C)C 170212010 SMSVPCUSOZVRSJ-QHCPKHFHSA-N 434.536 5.043 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(C(C)C)cc2)cc1OC 170246153 VLXFTHUAVNIRNN-DEOSSOPVSA-N 449.547 5.348 30 10 IKEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)cc4)[C@@H]3c3ccccc3F)ccc2O1 170248316 WQVMMDSHCHCRLF-LFVRLGFBSA-N 447.437 5.071 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2C2CCCC2)cc1 170268723 KBCYOCFNGFAAOC-FYSMJZIKSA-N 431.532 5.093 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1cn(C)c2ccccc12 170269278 DMZSLYFHVPXSGY-DEOSSOPVSA-N 446.547 5.346 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccco2)c1 170282718 PUNXEUJJIFFXOU-NRFANRHFSA-N 437.879 5.341 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccco2)cc1 170285265 SFZUHMZFHWKHQX-DEOSSOPVSA-N 443.499 5.340 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2sccc2C)c1 170314125 GLEJHGKLDHGLJL-OAQYLSRUSA-N 428.513 5.629 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4)[C@@H]3c3sccc3C)oc12 170315025 NFUOUMIULILSJJ-FQEVSTJZSA-N 445.496 5.594 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1Cc1cccnc1 170316899 MQAZCIOYNRACHV-QFIPXVFZSA-N 440.524 5.383 30 10 IKEE CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccccc2C)cc1 170398491 GNEYRBGIIVZDTN-NRFANRHFSA-N 447.512 5.016 30 10 IKEE CCCCCCCOc1ccc(-c2cc(N)c3c(c2N)C(=O)c2ccccc2C3=O)cc1 207442019 UEOLKJBGYFOXKT-UHFFFAOYSA-N 428.532 5.643 30 10 IKEE C=C[C@@H]1c2ccccc2N(S(=O)(=O)c2ccc(C)cc2)[C@H]1C(=O)/C=C/c1ccccc1 220748749 ITBWHUMMDVMSIT-NQDYECAUSA-N 429.541 5.125 30 10 IKEE COc1ccc(Nc2nc(NN=C/C=C/c3ccccc3)nc(Nc3ccccc3)n2)cc1 254515866 AROHLYUXTQFJPZ-DJHPTETBSA-N 437.507 5.479 30 10 IKEE CCOc1cc(C=NNc2nc3ccccc3[nH]2)ccc1OCc1cccc2ccccc12 254808599 TVOZKOAQQKKJQD-UHFFFAOYSA-N 436.515 6.140 30 10 IKEE CCCCCCCO[C@H]1[C@@H](N(C)CCCCCCC)[C@H](O)C[C@H]1OCc1ccccc1 256515407 ZXVORAHNQMMMDB-JVYGEBFASA-N 433.677 5.963 30 10 IKEE C(=N/N=C/c1nc(-c2ccccc2)n2ccccc12)c1nc(-c2ccccc2)n2ccccc12 390825738 GHUMAIMAGHTHSH-PAHBDONUSA-N 440.510 5.769 30 10 IKEE CCCCCCCC[C@H](NCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 406947561 ITXPIUPTCPCYBG-IBGZPJMESA-N 441.454 7.197 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccc(OCC)c2)cc1 526484525 FAUVCEQQZXQNRZ-RUZDIDTESA-N 440.499 5.413 30 10 IKEE COc1cc([C@@H]2C(c3cccc4ccccc34)=C(O)C(=O)N2c2cccc(C#N)c2)ccc1O 526520286 LLNQJJDQCJWAAX-AREMUKBSSA-N 448.478 5.483 30 10 IKEE CCOc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2cccc(C)c2)cc1 526809175 WYQVYJYSWDFILW-IMRQLAEWSA-N 442.588 5.751 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccc(N(C)C)cc1 526812778 LFOGHUVAOZXONC-IWIPYMOSSA-N 428.005 5.515 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1ccc(O)c(Cl)c1 526823801 ULCZYRBVZBRCCN-WNFQYIGGSA-N 427.744 5.427 30 10 IKEE CCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1ccc(OCC)cc1OCC 526825026 GEBPEBNKDWTIDJ-MYYYXRDXSA-N 442.560 5.342 30 10 IKEE COc1cc(C)c(C)cc1S(=O)(=O)N(Cc1cccc(C#N)c1)[C@H](C)c1ccccc1 586164571 YUPWKKJKCXKRGR-HXUWFJFHSA-N 434.561 5.136 30 10 IKEE Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1ccc(-c2ccccn2)nc1O 609525957 ARYZSZWIOSOUKH-UHFFFAOYSA-N 438.462 5.015 30 10 IKEE CC(C)(C)OC(=O)N1CC([C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C1 686263053 JKSNENPWQBCHRC-JOCHJYFZSA-N 435.952 5.231 30 10 IKEE COc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)cc1O 698456494 JCSHZEFTNBLACE-MRXNPFEDSA-N 433.302 5.170 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1ccc(C(C)(C)C)s1 698495018 AWGZYUXLJXYRDE-INIZCTEOSA-N 449.414 6.814 30 10 IKEE C=CCCCCC[C@@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 705510195 JRMXGJNKEIPDHP-QPTUXGOLSA-N 432.649 5.990 30 10 IKEE N#Cc1cc(Br)ccc1CNc1cc(Cl)ccc1I 709664828 HVQYTLZDLHHUMU-UHFFFAOYSA-N 447.501 5.191 30 10 IKEE CCc1cccc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2cc(O)cc(Cl)c2)c1 762445592 UIBHTTSHLFNKMW-UHFFFAOYSA-O 436.944 5.090 30 10 IKEE CC(C)[C@@H]1CC(CC/N=C\c2ccc(N(C)C)cc2)(c2ccc(F)cc2)C[C@H](C(C)C)O1 1081776258 WDVYMEQCQYFSKG-FAZXXVFXSA-N 438.631 6.498 30 10 IKEE CCOc1ccccc1N=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1 1084261868 CNNHAMBSUVAUHG-UHFFFAOYSA-N 436.758 6.996 30 10 IKEE C=CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC=C(C(C)(C)C)CC1 1286687247 MZARTPZKCXNDRR-UHFFFAOYSA-N 432.572 5.133 30 10 IKEE Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(-c3cccc(Cl)c3)nc2O)c1C 1360765924 AIIABAIVCMKCHL-UHFFFAOYSA-N 443.894 5.034 30 10 IKEE O=C1C(=O)N(c2ccccc2)[C@](Nc2ccccc2)(c2ccccc2)/C1=C(\O)c1ccccc1 1615200362 WJLZBBXBJKZCHN-IYCWHTROSA-N 446.506 5.537 30 10 IKEE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1C(=NO)CC(C)(C)C2 1772728540 MNFPXDVTWCWUNC-UHFFFAOYSA-N 438.911 6.437 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)SC1=Nc1nc(-c2ccccc2)cs1 1772735130 GUCSEAKTEOFRKS-OTXCQBAASA-N 449.557 5.221 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 1861220676 VXWMEYNIBMMLHF-JWQCQUIFSA-N 443.676 5.050 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(C(F)(F)F)cc1 1862386279 JXCWVDHNCPAURK-MRXNPFEDSA-N 444.236 5.610 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2ccc(OC)c(OC)c2)cc1 1862397698 NOCCJVZEOKRPBZ-HSZRJFAPSA-N 437.536 5.035 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(F)cc2)cc1C 1862402152 RSXCVJFWSSWQMK-HSZRJFAPSA-N 437.511 5.444 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccccc2Cl)=C(O)C(=O)N1CCCc1ccccc1 1862429213 IOKPGUAOCLOZBE-XMMPIXPASA-N 445.946 5.860 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2cccc(F)c2)cc1 1862474315 MWQSKDJQWRLNEK-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 1862531408 NECMWIITGFCROA-DEOSSOPVSA-N 449.591 5.287 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2ccccc2C)cc1 1862532368 HDFNQCJAYZYOLB-RUZDIDTESA-N 425.528 5.644 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccccc2C(=O)O)cc1 1862532489 COKDDPUARWKXMB-VZPUWSDOSA-N 447.531 5.104 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1cccc(OC)c1 1862557737 OUGGGEKLLUEODQ-NZQKXSOJSA-N 436.552 5.215 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(C(F)(F)F)cc2)c1 1862562646 KMFFJHPAVXRWQZ-FQEVSTJZSA-N 444.453 5.199 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1cccc2ccccc12)c1cccc(O)c1 1862593203 FFNWWEAJBKFLHK-SANMLTNESA-N 449.506 5.366 30 10 IKEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccc(C)c1 1862661916 XXKXOFNWNOKLSG-RUZDIDTESA-N 448.607 5.429 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862669578 ZSDOBIHDKGRTKX-HOYKHHGWSA-N 435.564 5.976 30 10 IKEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccccc2C)cc1 1862732705 JOYVJKXSUXKZHY-VWLOTQADSA-N 449.591 6.331 30 10 IKEE CC(C)c1ccc(NC2=C(c3ccccc3F)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862925771 FKMRRPHMBMBTIS-UHFFFAOYSA-N 425.463 5.217 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3cccc(C#N)c3)C(=O)N(Cc3ccccc3Cl)C2=O)c1 1863402188 PTKZTCMHZVLMOA-UHFFFAOYSA-N 441.918 5.221 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCOC(C)C)=C(c2ccc(Cl)cc2)C1=O 1863533543 IGSFUAKQOLHXGX-UHFFFAOYSA-N 449.035 5.575 30 10 IKEE CCCCCCCCCCn1cc(OCCCO)c(=O)cc1CN1C[C@@H](C)C[C@H](C)C1 1870359561 AKYYMHIPAMRGGF-GOTSBHOMSA-N 434.665 5.228 30 10 IKEE CCCCCCCOc1cn(Cc2ccco2)c(CNc2ccc3c(c2)OCO3)cc1=O 1870836692 QKRLVDQLVSMFOO-UHFFFAOYSA-N 438.524 5.180 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)cc2)c(=O)cc1CNc1ccc(Cl)c(Cl)c1 1870861662 NYLAKKMFHXJYAY-UHFFFAOYSA-N 449.765 6.186 30 10 IKEE C#CCOc1cn(CCCCCCCCCC)c(CNc2cc(Cl)ccc2C)cc1=O 1871005854 CCKKRMQXWXNABX-UHFFFAOYSA-N 443.031 6.575 30 10 IKEE CCCCCCCCCCN=c1[nH]c(Nc2cccc(C(F)(F)F)c2)ncc1[N+](=O)[O-] 1871305545 KMJZWCZGLZBTJL-UHFFFAOYSA-N 439.482 6.122 30 10 IKEE CCCCCCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(C(C)C)cc1)C3=O 1871349383 QSZVPSFWSXOGIR-ONUIUJJFSA-N 433.592 6.939 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc4c3CN([C@H]3CCCC[C@@H]3C)CO4)C2=O)c1OC 1871350590 MBXIWYLIWLHYQS-FHJOSAIKSA-N 435.520 5.051 30 10 IKEE CCCCCCCCN1COc2c(cc3c(c2C)O/C(=C\c2ccccc2OC)C3=O)C1 1871355777 VBHWDMURAJJXEH-JLPGSUDCSA-N 435.564 6.132 30 10 IKEE COc1cccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3cc(C)ccc3C)C4)C2=O)c1 1871356198 YYONMUXQRHNADH-ROTLSHHCSA-N 441.527 5.589 30 10 IKEE Cc1ccc(CCN2COc3c(cc4c(c3C)O/C(=C\c3ccccc3C)C4=O)C2)cc1 1871359692 VYZRJDPBTCTVDC-MYYYXRDXSA-N 425.528 5.623 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O)c1ccc([N+](=O)[O-])cc1Cl 1871373279 VTJINMPLDXBFHR-UKWGHVSLSA-N 439.782 5.223 30 10 IKEE Cc1c(O[C@H](C)C(=O)Nc2ccc(F)cc2)ccc2c1O/C(=C\c1cccc(F)c1)C2=O 1871400694 INOZAHBOTRWNAX-VUZLNAKASA-N 435.426 5.295 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccc5ccccc5c4)c3C)C2=O)o1 1871419872 SGRSPEKHIGXKIH-OYKKKHCWSA-N 439.467 5.683 30 10 IKEE Cc1cc(OCc2cccc3ccccc23)cc2c1C(=O)/C(=C/c1cccc(Cl)c1)O2 1871435087 YKZRRXQSSQHDJK-QFEZKATASA-N 426.899 6.997 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O)Nc1ccc(Cl)cc1 1871440855 LAMYWLCHIJTJRY-HEYHWPDRSA-N 431.875 5.530 30 10 IKEE CC(C)(C)c1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2cccs2)C3=O)cc1 1871445227 NXLIBVGDOVPVOC-HMAPJEAMSA-N 433.529 5.679 30 10 IKEE Cc1cccc(COc2ccc3c(c2C)O/C(=C\c2ccc(Cl)c(Cl)c2)C3=O)c1 1871455342 NNHMNIDEFMUADQ-UUYOSTAYSA-N 425.311 6.805 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2cccc(Cl)c2)C3=O)c1C 1871459256 NYRCWHLRQMBJAX-QRVIBDJDSA-N 447.918 5.899 30 10 IKEE Cc1ccc2oc(=O)cc(COc3ccc4c(c3)O/C(=C\c3ccccc3Cl)C4=O)c2c1 1871460340 HTBIDPFXZGRPJJ-MYKKPKGFSA-N 444.870 5.950 30 10 IKEE CCCCCCCCCCN=c1nc(N2CCCC2)[nH]c(=Nc2cc(Cl)ccc2C)[nH]1 1871512712 GXFRIETVFHWZPP-UHFFFAOYSA-N 445.055 5.574 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(Cl)cc2)[nH]c(N2C[C@H](C)O[C@H](C)C2)n1 1871524117 RPQMQTFZPVHLNW-HDICACEKSA-N 447.027 5.077 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(C(C)C)cc1)[C@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1871848353 BKCZPGQAJDLZKJ-JPYJTQIMSA-N 446.588 5.179 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1cccs1 1872497069 QXCLFBQAMBAKMK-SFHVURJKSA-N 441.018 5.084 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccc(C(C)C)cc3)n2)cc1 1872770176 MGXDDOMVSKGHPD-MBSDFSHPSA-N 448.588 6.366 30 10 IKEE CCOC(=O)Oc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 1872773412 NFZVTLZFQLYKHS-HXUWFJFHSA-N 448.544 6.133 30 10 IKEE CCOc1ccc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1OC 1872788364 YOEBERUINWXPFW-CQSZACIVSA-N 446.981 5.741 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)cc3[N+](=O)[O-])n2)cc1Cl 1872789465 JTGIKBDXXCIWGI-ZDUSSCGKSA-N 448.287 5.524 30 10 IKEE O=C(Nc1ccc(F)cc1F)c1ccc(COc2c(F)c(F)c(F)c(F)c2F)cc1 1872864358 CZBQUQKUDISRQU-UHFFFAOYSA-N 429.291 5.492 30 10 IKEE CCCCCCCCNC1=C(c2ccc(F)c(C)c2)C(=O)N(C2CCCCCCC2)C1=O 1873152784 LVGSNIYNUXPYIS-UHFFFAOYSA-N 442.619 6.277 30 10 IKEE C=CCn1c(C(=O)NCCC(C)C)cc2c(N(CCCC)CCCCCC)ncnc21 1873594734 ZWUAICWLSDGLLQ-UHFFFAOYSA-N 427.637 5.580 30 10 IKEE CCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1/N=C/c1ccccc1F 1874194239 FNCBSALZUDJDFK-AFUMVMLFSA-N 442.560 5.297 30 10 IKEE Cc1cc(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2)ccc1Cl 1874230299 CKFOAAINCCBZDG-CVKSISIWSA-N 448.979 5.993 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1ccccc1Cl 1874249760 LCKVEMIREWVDKD-LFVJCYFKSA-N 428.989 5.636 30 10 IKEE CSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1c(Cl)cccc1Cl 1874259912 YUOPHJDRIPYSBP-GZIVZEMBSA-N 429.279 5.046 30 10 IKEE COc1ccc(CCc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccccc2)cc1 1874306760 NYRRZRFCNPCVFR-WPWMEQJKSA-N 446.551 5.386 30 10 IKEE Clc1ccccc1CSc1nnc(CCOc2ccccc2)n1/N=C/c1cccnc1 1874346410 NHRQSONXAMXMBZ-WGOQTCKBSA-N 449.967 5.123 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1ccc(OC)cc1OC 1874358299 ZRHJOBCLFWAVCX-AFUMVMLFSA-N 436.581 5.053 30 10 IKEE C=CCSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1c(OC)ccc2ccccc12 1874380672 FOZWBGZAMSDCQF-WGOQTCKBSA-N 432.524 5.330 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874389371 OAJZSXKTULNGFW-FSJBWODESA-N 441.944 5.289 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccccc2)n1/N=C/c1ccccc1Cl 1874416171 BXGAWOCDHXQYCP-WGOQTCKBSA-N 432.980 6.005 30 10 IKEE Fc1ccccc1CSc1nnc(-c2cccs2)n1/N=C/c1cccc2ccccc12 1874422679 YTHIHNVWXURINU-CVKSISIWSA-N 444.560 6.473 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(CC(C)(C)C)n2/N=C/c2cccs2)c1 1874436423 ADEVNORCYPXQOZ-YDZHTSKRSA-N 441.626 5.158 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@H]3CCCO3)n2/N=C/c2ccc(F)cc2F)c1 1874445386 DDDWIHYFPLBMIH-GZQNEBGJSA-N 428.508 5.199 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CCCC2)cc1O 1874457168 DMCKWLDLBXEBPX-FSJBWODESA-N 428.945 5.175 30 10 IKEE Cc1ccc(/C=N/n2c(CC(C)C)nnc2SCC(=O)Nc2cccc(C)c2C)cc1 1874489040 XMKCFRUQQSIWPH-AFUMVMLFSA-N 435.597 5.015 30 10 IKEE CCCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1/N=C/c1ccccc1Cl 1874504755 YOJCZXSMKFAJHG-ZMOGYAJESA-N 441.988 5.114 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2cccc3ccccc23)nnc1C1CC1 1874520351 FCQCPOIMJKCIHD-WPWMEQJKSA-N 442.588 6.272 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1c(OC)ccc2ccccc12 1874527516 SBNZRNHAJVLPEC-AFUMVMLFSA-N 436.968 5.830 30 10 IKEE Cc1cc(OCc2nnc(S)n2/N=C/c2cccc(OC(C)C)c2)cc(C)c1Cl 1874568474 APXDKYNXDNVQIZ-FOKLQQMPSA-N 430.961 5.085 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc3ccccc3c2)c1OCc1ccccc1Cl 1874571499 QPKFRIOEPZHACR-FOCLMDBBSA-N 428.915 6.977 30 10 IKEE CCc1ccccc1NC(=O)COc1c(/C=C/C(=O)c2cccc(OC)c2)cccc1OC 1874573265 FGTKSYVWLYBCFC-FOCLMDBBSA-N 445.515 5.180 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCc2ccccc2)cc1 1874574046 RYKRXQWGXUSRAM-FOCLMDBBSA-N 434.963 7.166 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1cccc(F)c1)c1ccc(Br)cc1 1874574660 YKYMDPBLTVZGIT-UXBLZVDNSA-N 445.715 6.717 30 10 IKEE O=C(/C=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)c1ccc(F)cc1F 1874576861 JMUSXMQTBCIGCB-OUKQBFOZSA-N 445.421 6.501 30 10 IKEE O=C(/C=C/c1cc(Br)ccc1OCc1c(F)cccc1Cl)c1ccccc1 1874578234 CMSAEVXGVDXZKP-PKNBQFBNSA-N 445.715 6.717 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)OCC(C)C)c1C 1874586944 MNJGOWVUPZWSIJ-VQHVLOKHSA-N 428.956 6.048 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 1874590153 VSFWQISNULPYKT-FOWTUZBSSA-N 429.516 6.676 30 10 IKEE O=C(COc1cccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1)Nc1nccs1 1874593385 HAGOLXGMMBSJEG-QPJJXVBHSA-N 433.316 5.364 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)c(C)c1C 1874598273 DKCQLWDUVUEWJP-DHZHZOJOSA-N 441.354 7.094 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cccc(OCC(=O)Nc2ccc(C)c(C)c2)c1 1874599214 AKLXDWUYTSYHLL-ZRDIBKRKSA-N 443.543 5.842 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc4ccccc4c3)cc2)o1 1874602238 BGGQMUDBYGGXOG-OQLLNIDSSA-N 426.468 6.085 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)cc1 1874616199 NJKFRPZHMSNSPN-YRNVUSSQSA-N 425.297 6.372 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1[N+](=O)[O-] 1874617623 LMDQGUHONHSOHC-DHZHZOJOSA-N 438.524 5.135 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2Cl)cc1 1874617773 SRBUUWYFBVHFBN-KPKJPENVSA-N 433.935 6.179 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2Cl)c1 1874617888 YOMMDYQEGZDCTK-RMKNXTFCSA-N 447.962 6.487 30 10 IKEE COc1ccc(CCC(=O)Oc2cc(/C=C/C(=O)c3cc(C)ccc3C)ccc2OC)cc1 1874703256 HKGGKEDQKKEDRI-NTEUORMPSA-N 444.527 5.755 30 10 IKEE COc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)c2)cc1 1874710763 JPBOVKIDLOYHPT-NTEUORMPSA-N 444.527 5.809 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cc(C)cc(C)c3)c2)c(OC)c1 1874714421 VLOYXZMRBXQIIG-UXBLZVDNSA-N 446.499 5.445 30 10 IKEE O=C(COc1ccccc1)Oc1cccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1 1874718966 UDRQDCIBJCBYQN-FMIVXFBMSA-N 427.283 5.874 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(OC)cc1 1875094583 ZHWKWNLDYRYHJX-NTUHNPAUSA-N 447.443 5.117 30 10 IKEE COc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)cc2)cc1 1875097148 XHPXQAGAPWJVMX-CAOOACKPSA-N 442.511 5.455 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)ccc1OC(=O)c1cc(C)cc(C)c1 1875102700 BETJDQHMILVFSR-UKTHLTGXSA-N 428.528 6.380 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(OC)c1OC(=O)c1cncc(C)c1 1875111286 CHTOWISZFAUMLR-CMDGGOBGSA-N 437.879 5.176 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C(F)(F)F)cc3)cc2)cc1 1875112418 HSTMQRCUFAUNGD-SYZQJQIISA-N 426.390 5.829 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC(=O)Cc1ccc(Cl)cc1 1875122846 YGCGPHYKNZELRB-ONNFQVAWSA-N 442.845 5.671 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)c1ccccc1 1875123510 PUFJHZNPOHJYCQ-ZHACJKMWSA-N 427.283 6.117 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)c(Cl)c1)c1ccccc1 1875128366 WRCJVNQWCUMUII-QUJGQYFQSA-N 437.322 6.599 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(OC)c3)c(OCC)c2)cc1 1875130926 YCCYNZMFWPUCES-OQLLNIDSSA-N 446.499 5.608 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2Cl)cc1 1875133448 VJROOQLEIZZROQ-OQLLNIDSSA-N 448.946 6.618 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)CCc1ccccc1 1875134186 SOHYMPRGBZSPKY-RVDMUPIBSA-N 428.528 6.136 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(CC)cc3)c(OC)c2)cc1 1875139209 XNQDGFKHUNIUOQ-LZYBPNLTSA-N 444.527 6.162 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3F)c(Cl)c2)cc1F 1875152388 BTYZJGPBGMTRQS-RMKNXTFCSA-N 442.845 5.671 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)c1ccccc1C 1875171708 JQCUKOQXNLPLHV-ZRDIBKRKSA-N 430.500 5.744 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)c1cccc(C)c1 1875174843 LQNCTJNWOZBDNF-ZRDIBKRKSA-N 448.946 6.779 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)cc2)c(C)c1 1875182765 UJNJQSJPVQRLOA-SXONLWJDSA-N 444.958 6.870 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3cc(Cl)ccc3Cl)cc2)cc1 1875191483 OMQRQOMWUUETDC-AWNIVKPZSA-N 441.310 6.046 30 10 IKEE CCCC(=O)Oc1c(OCC)cc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc1[N+](=O)[O-] 1875193563 PPHFVXPMWOEDON-VQHVLOKHSA-N 447.871 5.257 30 10 IKEE C=CCN(CC=C)C(=O)c1cc2c(NCc3ccc(Cl)cc3)ncnc2n1CCCC 1875215716 VDOQCJWZMVTIIE-UHFFFAOYSA-N 437.975 5.311 30 10 IKEE C[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)CCN1Cc1ccccc1 1949376817 FHMDDOXLFYZNCS-RLWLMLJZSA-N 425.617 5.893 30 10 IKEE CCCCC#CC[C@@H](NC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2024381127 VTLJTSQWQVMGCQ-BVAGGSTKSA-N 428.617 5.002 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(Cc3ccccc3)[C@H](C)C2)c1 2037524449 AXIHTUTXLNSUBH-IBVKSMDESA-N 435.568 5.384 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(C)sc(C)c1Br 2041207068 UFMDJPOOMNQEKJ-WMLDXEAASA-N 429.424 5.085 30 10 IKEE Cc1ccc([C@@H](n2nc(C3CCC3)c(C#N)c2I)C2(C)CC2)c(O)c1 2078999729 URIGHWKYGNIPSX-GOSISDBHSA-N 447.320 5.030 30 10 IKEE CC(C)(C)c1nn([C@@H](c2ccc(C(F)(F)F)cc2)C2CC2)c(Br)c1C#N 2079894633 IBNSWJSCPAURAR-OAHLLOKOSA-N 426.280 5.833 30 10 IKEE COc1ccc([C@@H](n2nc(C(C)C)c(C=NO)c2Br)C(C)(C)C)cc1F 2080106017 RVYFQWJIVHCTHE-QGZVFWFLSA-N 426.330 5.360 30 10 IKEE C=CC[C@@](C)(CO)CNCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2082200983 GRSVXTRDUQMCNO-MUUNZHRXSA-N 431.576 5.509 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Br)c1Cl)NCCC 2110500487 KAKMFYCYILZOPZ-DLBZAZTESA-N 445.829 5.483 30 10 IKEE Cc1c(NC(=O)OC(C)(C)C)cccc1C(=O)N1CCC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2124519823 NOZJNLAVHPJADS-QGZVFWFLSA-N 444.381 5.040 30 10 IKEE C#CCC1(NCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCCCC1 2134728488 UJIWWOZOCVIVJJ-UHFFFAOYSA-N 439.599 6.660 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1ccc2c(c1)OCC2 2149631693 HTHOIACQQLLCKR-SFHVURJKSA-N 429.314 5.390 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1cccc2c1CCC2 2156047986 XCTPVNPSCDKFLP-HXUWFJFHSA-N 427.342 5.944 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1CN(c1ccc(Br)cc1C#N)C1CC1 2174810567 NVTQJRXOSMWROK-GOSISDBHSA-N 434.378 5.079 30 10 IKEE N[C@@H](C#Cc1ccccc1Br)c1cc(Br)cc(Br)c1 2227491801 WXQNVGYUJFQZJH-HNNXBMFYSA-N 443.964 5.026 30 10 IKEE CC(C)(C)OC(=O)Nc1c(Cl)cc([C@@H](O)C#Cc2ccc(Cl)cc2)cc1Cl 2239498217 DHFQLCWFYQGMCD-KRWDZBQOSA-N 426.727 6.079 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NC)c2cccc(Cl)c2Br)C1 2259400802 KXSFYSMBWRJBKI-INIZCTEOSA-N 429.786 5.224 30 10 IKEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CSc1cc(Br)c(C#N)cc1F 2260367789 JXCGOPZUEJKUHN-XHDPSFHLSA-N 429.355 5.197 30 10 IKEE C=CCCC[C@@H](OCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2274803344 BEXRRYNYIQZYPC-RUZDIDTESA-N 446.543 6.343 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@](C)(CC)CNC(=O)OC(C)(C)C 2296310970 QEJCZONPPIWRGP-KNQAVFIVSA-N 437.422 5.110 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1c(F)cccc1Cl)C2=O)c1ccc(F)cc1 2296867186 ASRLMKKVXIYNAT-UHFFFAOYSA-N 426.802 5.496 30 10 IKEE C[C@@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC(=Cc1ccc(OC(F)F)cc1)C2=O 2297329626 UILXPFRZQGQVFT-MDWQNHRDSA-N 442.546 6.174 30 10 IKEE C=CCN1C(=O)C(=Cc2cc(OC)ccc2OCc2cccc3ccccc23)SC1=S 2297624983 VPEKNNJXASUGRQ-UHFFFAOYSA-N 447.581 5.815 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)C(C)(C)[C@H]1CCCCN1C(=O)OC(C)(C)C 2316231650 PZJNLTHKEPKFCZ-DNQXCXABSA-N 444.660 5.943 30 10 IKEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccccc1OC(C)C 2321168586 LSTKQURKWNLRAE-UHFFFAOYSA-N 435.380 5.855 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc3c2CN(Cc2ccc(Cl)cc2)CO3)C1=O 2321955304 HJMDLIVOFSHOBK-UHFFFAOYSA-N 433.891 5.317 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1cccc(Cl)c1)O3)CN(CCC1=CCCCC1)CO2 2322107147 OAOVJLCDOVYEQS-UHFFFAOYSA-N 435.951 6.307 30 10 IKEE Cc1cc(OCc2nnc(S)n2N=Cc2ccc(Cl)cc2Cl)ccc1Cl 2322211016 FSSGFDVBNPNRNX-UHFFFAOYSA-N 427.744 5.297 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccc(C)c(C)c2)cc1C 2322408246 AQOBJHFDPWXVBV-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE CCCCCCCCN1COc2c(cc3c(c2C)OC(=Cc2ccc(OCC)cc2)C3=O)C1 2322415500 BZTUFKRDWXUNBP-UHFFFAOYSA-N 449.591 6.522 30 10 IKEE COC(=O)c1ccc(COc2ccc(Cl)cc2C=CC(=O)c2ccccc2Cl)o1 2322436876 WWSSDDPDPBYPHH-UHFFFAOYSA-N 431.271 5.848 30 10 IKEE COc1ccc([C@@H](C)N2COc3c(cc4c(c3C)OC(=Cc3sccc3C)C4=O)C2)cc1 2322437728 LDVCIRCPHRIRIY-QGZVFWFLSA-N 447.556 5.903 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc(Cl)cc2C=CC(=O)c2cc(C)ccc2C)c1 2322617420 CJMSWDZJYRCYHG-UHFFFAOYSA-N 447.962 6.487 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OC)c2OCc2ccc([N+](=O)[O-])cc2)c1 2322667317 GLGJMLRPYBYURP-UHFFFAOYSA-N 449.459 5.096 30 10 IKEE O=C(C=Cc1ccco1)Oc1ccc2c(c1)OC(=Cc1c(Cl)cccc1Cl)C2=O 2323157782 MZWKRSPCTKYMMD-UHFFFAOYSA-N 427.239 5.821 30 10 IKEE Cc1c(OC(=O)C=Cc2cccc([N+](=O)[O-])c2)ccc2c1OC(=Cc1cccc(F)c1)C2=O 2323437267 NADJFKJKGQFSAW-UHFFFAOYSA-N 445.402 5.277 30 10 IKEE CCOc1cc(C=Nn2c(C)nnc2S)ccc1OCc1ccc(Cl)cc1Cl 2323461392 FWOKYKAKEGCTEB-UHFFFAOYSA-N 437.352 5.042 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OC(=O)c3cc4ccccc4oc3=O)cc(C)c2C1=O 2323579535 OKXNBBKYILIGCH-UHFFFAOYSA-N 444.464 5.307 30 10 IKEE CCCC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccco2)C3=O)cc1 2323936923 GGVZFVSPFSOIAC-UHFFFAOYSA-N 432.428 5.129 30 10 IKEE CCCCN(CCCC)Cc1c(O)cc(C)c2c1OC(=Cc1cccc(Cl)c1)C2=O 2324077739 OSKSLUBZBBIOGP-UHFFFAOYSA-N 427.972 6.372 30 10 IKEE CCCN(CCC)Cc1c(O)cc(C)c2c1OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2324097367 JLMPUUXQYNEXPE-UHFFFAOYSA-N 434.363 6.246 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccc(C)cc4)c3C)C2=O)c1 2324379270 QDPSRQWEPDGHAP-SFHVURJKSA-N 443.499 5.334 30 10 IKEE Cc1c(O[C@@H](C)C(=O)Nc2ccccc2)ccc2c1OC(=Cc1ccc(Cl)cc1)C2=O 2324405729 RQZQZDGPPDTWTL-INIZCTEOSA-N 433.891 5.671 30 10 IKEE N#C[C@H](C(=O)C(=Cc1ccccc1)c1ccccc1)c1nc(-c2ccccc2Cl)cs1 2324425954 LUBPTFRWJNZKFG-JOCHJYFZSA-N 440.955 6.881 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2OC)ccc1OCc1ccc(Cl)cc1 2324708441 TXUPZJUYEQDEAO-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCc4cc(C)c(C)cc4C)c3C)C2=O)c(OC)c1 2324765204 GRDSLOAVLMBSBB-UHFFFAOYSA-N 444.527 6.133 30 10 IKEE CCOc1ccccc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1cccs1)C2=O 2324895945 WMOLGMGKGCWNPX-UHFFFAOYSA-N 435.501 5.089 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OCC(=O)Nc3cccc(Cl)c3C)ccc2C1=O 2325053699 KXTIXMCMWQHKNG-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccccc1OCCC 2325511644 BUYIUSOMPOHSPX-UHFFFAOYSA-N 426.561 5.723 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccc(F)cc3)c2)cc1 2325709866 PGOSVPONHHSMGO-UHFFFAOYSA-N 446.518 6.221 30 10 IKEE Cc1cccc(COc2ccc3c(c2C)OC(=Cc2ccc(Cl)c(Cl)c2)C3=O)c1 2325721104 NNHMNIDEFMUADQ-UHFFFAOYSA-N 425.311 6.805 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)c1 2325721347 MDFKGWDACPHING-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)cc1OC(=O)C(F)(F)F 2325755855 UCGFUDMBNYSRQH-UHFFFAOYSA-N 449.208 5.374 30 10 IKEE COc1ccc(OCc2nnc(SC)n2N=Cc2ccc(Cl)cc2)c(C(C)(C)C)c1 2325815901 GQLDSKZCZBCQSV-UHFFFAOYSA-N 444.988 5.421 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccc(OC)c(O)c1Cl 2326306429 LFPXMNQEBNKLHC-UHFFFAOYSA-N 444.988 5.471 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1ccccc1OCC(C)C 2326446319 JUWWQYAHCIXSCZ-UHFFFAOYSA-N 436.625 6.057 30 10 IKEE C=C(C)CSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1ccc(N(C)C)cc1 2327003139 IXYVTRVEVOLMRT-UHFFFAOYSA-N 449.624 5.215 30 10 IKEE Cc1cccc(OCCCc2nnc(SCCc3ccccc3)n2N=Cc2ccco2)c1 2327010704 AEUUYDFWMODTDO-UHFFFAOYSA-N 446.576 5.408 30 10 IKEE CCCCOc1ccc(C=Nn2c(COc3c(C)ccc(C)c3C)nnc2SC)cc1 2327238926 IYYPZTYVCGAMLO-UHFFFAOYSA-N 438.597 5.565 30 10 IKEE CCCSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1c(F)cccc1Cl 2327385592 PJENGYYQJSERFM-UHFFFAOYSA-N 446.979 5.986 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccc(CC)cc1 2327552125 WOMVXGOUKPDKKJ-UHFFFAOYSA-N 426.973 5.623 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc(CC)cc1 2328056252 CSVGNUQAWPIZPQ-UHFFFAOYSA-N 425.001 5.830 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2OC)n1N=Cc1ccc(C(C)C)cc1 2328689809 RZUXNSGHZGGTAP-UHFFFAOYSA-N 434.609 5.746 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2N=Cc2ccco2)cc1C 2329407717 OJRLJPFAYPGNIW-UHFFFAOYSA-N 447.520 5.161 30 10 IKEE CCCCCOc1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SC)cc1OC 2329791791 JOFDVUMJZPWLCA-UHFFFAOYSA-N 442.560 5.190 30 10 IKEE CCc1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2F)cc1 2329841357 CFQUXGHCTXMMOL-UHFFFAOYSA-N 448.542 5.884 30 10 IKEE COc1cccc(C=Nn2c(COc3ccccc3)nnc2SCc2ccccc2C)c1 2329883810 BVPNYBDZZJPLFR-UHFFFAOYSA-N 444.560 5.349 30 10 IKEE CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1ccc(OCc2ccc(C)cc2)cc1 2330047783 AQGPMTZNKIOUCZ-HXUWFJFHSA-N 442.588 5.921 30 10 IKEE Cc1ccc(CSc2nnc(CC3CCCCC3)n2N=Cc2ccc([N+](=O)[O-])cc2)cc1 2330221749 FGYSGJPQNKTQRA-UHFFFAOYSA-N 449.580 5.792 30 10 IKEE COc1ccc(OC)c(C=Nn2c(SCc3ccc(C)cc3)nnc2-c2ccccc2)c1 2330625400 IFAVCJLSOTXPAM-UHFFFAOYSA-N 444.560 5.445 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)C=Cc1cccc([N+](=O)[O-])c1)[C@H](C)CC 2330627195 SYYAAKQUDHWYTP-YKSBVNFPSA-N 445.604 5.396 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OC(=O)Cc1cccs1 2330674888 GAGJLAQJDSSCDI-UHFFFAOYSA-N 428.509 5.954 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(CC)cc2)cc(OC)c1OC(=O)c1cccc(C)c1 2330767841 QBGCCHYXVDIKGV-UHFFFAOYSA-N 440.539 6.410 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2)ccc1OC(=O)c1ccccc1OC 2330874526 OCPPRQNCTRWBKK-UHFFFAOYSA-N 446.499 5.526 30 10 IKEE Clc1cccc(Cl)c1C=Nn1c(SCc2ccccc2)nnc1[C@H]1CCCO1 2330959189 SWVKQMZMTBWRCF-GOSISDBHSA-N 433.364 5.611 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)C1CCCC1 2331097181 KEJHHWDNRFGJCQ-UHFFFAOYSA-N 434.866 6.009 30 10 IKEE Cc1ccccc1CSc1nnc(C(F)(F)F)n1N=Cc1ccc(C(F)(F)F)cc1 2331112591 BFCKVGNRQHBELQ-UHFFFAOYSA-N 444.404 5.799 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC(=O)COCc1ccccc1 2331158127 WLRLEZYRUOUYDX-UHFFFAOYSA-N 436.891 5.367 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)Cc1ccccc1Cl 2331182717 CSAVYGNDNVABOZ-UHFFFAOYSA-N 446.930 6.121 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2-c2ccco2)cc1 2331225390 RIJVHWJSUPQVLS-UHFFFAOYSA-N 436.968 6.489 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)c(F)c3F)c([N+](=O)[O-])c2)cc1 2331273299 HAPPVZANWAOGNS-UHFFFAOYSA-N 441.361 5.436 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)c1ccccn1 2331328912 BXEJKIQIHUFXKP-UHFFFAOYSA-N 427.500 5.551 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)c3cccs3)c(Br)c2)ccc1F 2331338057 VWHRFLVSBUVNOS-UHFFFAOYSA-N 445.309 6.073 30 10 IKEE O=C(COc1ccccc1)Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1Cl 2331472845 ZZJOFEKUILRLMQ-UHFFFAOYSA-N 442.898 6.374 30 10 IKEE CCOc1cc(C=Nn2c(SC)nnc2C2CCC2)ccc1OCc1ccccc1C 2331477468 SQFHARNKBAPAAA-UHFFFAOYSA-N 436.581 5.436 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(F)c3)cc2Cl)cc1 2331557536 HOCQIWDJGCFCNY-UHFFFAOYSA-N 426.846 6.296 30 10 IKEE COc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(C)c3C)cc2)cc1 2331612352 LCGBNZAREACFPR-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE COCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(C(C)C)cc1 2331618374 UOXMTLAIJUFOQX-UHFFFAOYSA-N 432.952 5.515 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)cc2OC)cc1 2331657832 SNAMPRARKRRPRH-UHFFFAOYSA-N 442.555 6.607 30 10 IKEE C=CCOc1ccccc1C=C1C(=O)N(c2ccc(OC)cc2)N=C1c1ccc(OC)cc1 2332114208 DKCCRKRLXLACBX-UHFFFAOYSA-N 440.499 5.103 30 10 IKEE CCCN(C[C@@H](C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2339574884 ONMKSLKRIRHCRG-KAUXGEHWSA-N 446.397 5.141 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCC[C@]23C[C@H](CO2)[C@H]13 2354170364 IGVNDXWENRCUHM-HZNDTHDVSA-N 433.346 5.042 30 10 IKEE CC1(C)OB(C=Cc2ccc(Oc3ccc(Br)cc3Cl)nc2)OC1(C)C 2365122447 GRLCQNPLQKUZQE-UHFFFAOYSA-N 436.542 5.934 30 10 IKEE C=CCn1c(SCc2ccc(Br)cc2)nnc1-c1cccc([N+](=O)[O-])c1 2911304 FWHJWOGMXAQAPN-UHFFFAOYSA-N 431.315 5.094 30 10 IKEE CCCCCCCCOc1ccc(/C=C2\N=C(c3cccc(Cl)c3Cl)OC2=O)cc1 2942024 MCUIUKATYMKOCQ-PGMHBOJBSA-N 446.374 7.077 30 10 IKEE N#Cc1ccccc1CSc1ncnc2scc(-c3ccc(Br)cc3)c12 8898818 JPPIJCNYWWWJON-UHFFFAOYSA-N 438.375 6.285 30 10 IKEE C[C@@H]1CCCN(CN2C(=O)/C(=N\c3ccc(Oc4ccccc4)cc3)c3ccccc32)C1 16609087 FZTXOTRDOWSKPN-OXNJYFPOSA-N 425.532 5.636 30 10 IKEE C=CCNC(=O)c1cccc2c1N[C@H](c1ccc3c(c1)c1ccccc1n3CC)[C@@H]1CC=C[C@@H]21 20684797 VIKGYRWXPGDTTC-QJCIYXEWSA-N 447.582 6.557 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(Cl)c(Cl)c2)C3)cc1 21226835 FHSQMYYMKIYIOU-FUHWJXTLSA-N 444.358 5.787 30 10 IKEE COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccccc2C)cc1OC 28052531 VHXXFYJDKOXMIE-XDHUDOTRSA-N 430.504 5.267 30 10 IKEE COc1ccccc1CO/N=C(/C)c1cc(-c2ccc(F)cc2)n(-c2cccc(C)c2)c1C 35843466 KSAVSOGBECVXDD-COEJQBHMSA-N 442.534 6.850 30 10 IKEE Cc1cccc(/N=C2/S/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C(=O)N2C)n1 39863229 YARXESBRWJQCNS-GXBBLNCVSA-N 444.343 6.191 30 10 IKEE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1/C(=N/Nc1ccccc1)CCC2 40824130 LSVKNBPUDHVZMT-OVVQPSECSA-N 428.319 6.300 30 10 IKEE CCOP(=O)(OCC)C(/N=C/c1cccc(Cl)c1)P(=O)(OCC)OCC 59085594 BUDXLQFQXZIUIT-QGOAFFKASA-N 425.786 5.575 30 10 IKEE CCc1sc2[nH]c(SCc3cccc(C#N)c3)nc(=O)c2c1-c1cccc(OC)c1 96534515 IIIHIQUJZIDJON-UHFFFAOYSA-N 433.558 5.387 30 10 IKEE O=C(/C=C/C(=O)c1ccc(Br)cc1)Nc1cc(C(F)(F)F)ccc1Cl 96580316 STOVHZOUMCEBAY-BQYQJAHWSA-N 432.623 5.499 30 10 IKEE C=C(C)COc1cccc(NCC(=O)NCCCCCCCCCCCCCCCC)c1 100084920 ADIACYIUNVAPSQ-UHFFFAOYSA-N 444.704 7.651 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)c1cccc(OCCC(C)C)c1 100178147 XSLGHXYODRIFMU-UHFFFAOYSA-N 431.705 8.323 30 10 IKEE CCN1C(=O)C[C@H](C(=O)Nc2ccc(C)c(Cl)c2)S/C1=N\c1ccc(C)c(C)c1 100194049 NISQJTKWYKNLHH-IPQBESIJSA-N 429.973 5.245 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccc(F)cc2)c1 169929394 DGOJGXLETVJOJY-QHCPKHFHSA-N 443.430 5.363 30 10 IKEE CCCOc1ccc([C@H]2NC(=S)N(CC)C(C)=C2C(=O)c2ccccc2)cc1Cl 169931502 DHKJKDUZXSGQTM-OAQYLSRUSA-N 428.985 5.537 30 10 IKEE CN1C(=S)N[C@@H](c2ccccc2OCc2ccc(Cl)cc2Cl)C2=C1CCCC2=O 169936908 TZLSRWACCGEAAQ-NRFANRHFSA-N 447.387 5.441 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@@H]1c1ccccc1OC 169943462 OEUQKOUJSKKKDD-XMMPIXPASA-N 443.499 5.104 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1c1ccc(C)cc1 169944708 ZEIPYTBMVBHDHP-AREMUKBSSA-N 449.506 5.940 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cccc(OC(C)C)c1 169981504 PTUVNKNEKYIBOH-XMMPIXPASA-N 449.547 5.312 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1cccs1)c1c[nH]c2ccccc12 169987662 ASGTXABLYGQDHD-FQEVSTJZSA-N 436.439 5.291 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@@H]1c1cccnc1)c1c[nH]c2ccccc12 170007926 NBCQNSYHNOZTDP-RUZDIDTESA-N 445.478 5.499 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccc2ccccc12 170045990 LSNPWQWPZGBEBB-DEOSSOPVSA-N 441.483 5.201 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccccc1 170048353 ANAGTPYMNFEWGP-XMMPIXPASA-N 439.467 5.220 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccccc2)cc1 170054422 JCQFGJKEEZTZFO-XMMPIXPASA-N 427.500 5.091 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@H]1c1ccc(F)cc1 170061187 KEXHJTTZTSFREL-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccs2)cc1C 170163968 OHCFOBQIIVYVDX-OAQYLSRUSA-N 425.550 5.366 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccn2)ccc1OCC(C)C 170173300 KUMWZUDLXSAVDB-DEOSSOPVSA-N 442.515 5.208 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(OCC)c2)c1 170218627 BLHQWWMUMKQKMX-XMMPIXPASA-N 449.547 5.395 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccccc2C)c1 170271453 YOEXLZYAYRMPQM-AREMUKBSSA-N 437.539 5.965 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1Cc1ccco1 170274140 JVVOZSBAJORRFK-HSZRJFAPSA-N 431.488 5.154 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1C1CCCCC1 170275379 XGPHMGDDDFVFPS-RUZDIDTESA-N 429.560 5.785 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccco2)cc1C 170281770 DPDBFYYUIZVIFG-QFIPXVFZSA-N 435.451 5.299 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccco1 170290139 TYJSJVNQIDJNBH-LJQANCHMSA-N 428.271 5.678 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2n[nH]c3c2CCN(Cc2ccccc2)C3)c1 170295067 ZXGGIJPZOADKCY-UHFFFAOYSA-N 429.568 5.058 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@@H]1c1ccc(C)o1 170302176 IIEYNYDCPNSFLE-HSZRJFAPSA-N 447.487 5.005 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1Cc1ccco1 170316348 AHEFTVMVJNXXOV-HXUWFJFHSA-N 437.517 5.215 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C(C)C)cc2)c1 170364008 AEPSNIZIVPBQFI-QHCPKHFHSA-N 431.488 5.585 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2c[nH]c3ccccc23)cc1 170384042 OXKKXBWEEOMWDV-XMMPIXPASA-N 438.483 5.350 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@H]1c1ccc(C(C)(C)C)cc1 170467911 BDXYXXSOLTTZGH-QFIPXVFZSA-N 443.946 6.292 30 10 IKEE CCCCCCOc1ccc(C(=O)Nc2c(C#N)cnn2-c2ccc3ccccc3n2)cc1 170536710 ZMRSRMYJWLAWJX-UHFFFAOYSA-N 439.519 5.504 30 10 IKEE CCNc1ccc(C#N)cc1N=C1S/C(=C2/Sc3ccccc3N2CC)C(=O)N1CC 254313507 UGQCCWISLYGAJD-YJWRWTPISA-N 449.605 5.374 30 10 IKEE COc1cc([N+](=O)[O-])cc(C=Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2C)c1O 254340184 HGEKBKOYBBFYHE-UHFFFAOYSA-N 431.448 5.793 30 10 IKEE Cc1cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1ccccc1C(=O)O 254738039 DOAYMSNAJIYSMX-UHFFFAOYSA-N 446.385 5.165 30 10 IKEE Cc1ccc(NC(=O)c2c(N)n(N=Cc3ccccc3C)c3nc4ccccc4nc23)cc1C 263630810 JVNIMISSLCTYON-UHFFFAOYSA-N 448.530 5.226 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccc(C(C)(C)C)cc1 526817541 XLRZPRMAWJEDJO-QQXSKIMKSA-N 441.044 6.746 30 10 IKEE CCc1nnc(SCc2cccc(F)c2)n1/N=C\c1ccc(OC(C)C)c(Cl)c1 526825292 REDCMGXDZAPEJI-MSXFZWOLSA-N 432.952 5.595 30 10 IKEE C#CCCC[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCCC 686827277 UIUFOGHPLKKMBA-XMMPIXPASA-N 441.660 5.108 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@]1(C#N)CCN(C(=O)OCc2ccccc2)C1 698874037 LTBWODPLBBMVDD-VWLOTQADSA-N 441.572 5.251 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@@](C#N)(N(Cc1ccccc1)C(=O)OC(C)(C)C)C2 709336556 AZNGSXMYHJTMBX-RLSLOFABSA-N 441.572 5.105 30 10 IKEE Oc1c(Cl)cc(Cl)cc1C=Nc1ccccc1OC(F)(F)[C@H](F)C(F)(F)F 1083907574 MSDUGGXJGYRTMY-CQSZACIVSA-N 432.147 6.322 30 10 IKEE O=C(CSc1nc2ccc(N=Cc3ccc(Cl)cc3)cc2s1)NC[C@@H]1CCCO1 1084017418 SQCPJPTXVSHIRB-KRWDZBQOSA-N 445.997 5.088 30 10 IKEE Cc1c(CO/N=C(/c2ccc(SC(F)(F)F)cc2)C2CC2)cccc1-c1ccccc1 1088688029 DPCZVWALJISUJH-RMLRFSFXSA-N 441.518 7.605 30 10 IKEE CC(C)[C@@H](C(=O)OCc1c(F)c(F)c(F)c(F)c1F)c1ccc(C(F)(F)F)cc1 1616047049 XXUFHDXVUAPMGM-GFCCVEGCSA-N 426.303 5.884 30 10 IKEE Cc1cc(C)cc(NC(=O)c2oc3c(c2C)C(=NNC(=S)Nc2ccccc2)CCC3)c1 1772750530 WDUHEBMEBUPNPS-UHFFFAOYSA-N 446.576 5.484 30 10 IKEE CC(C)COc1ccc(CC(=O)Nc2cccc(C(=O)Nc3ccc(C#N)cc3)c2)cc1 1859119231 OKGBASFDFBIYQM-UHFFFAOYSA-N 427.504 5.027 30 10 IKEE COc1ccc(-n2nc(C(=O)Nc3ccc(C#N)cc3)cc2-c2ccc(Cl)cc2)cc1 1859387397 JMBFKNGHEWOTQQ-UHFFFAOYSA-N 428.879 5.325 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2C)cc1 1862389760 NDGRPBGSINCVKP-RUZDIDTESA-N 440.543 5.511 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccccc2)cc1 1862389956 RLSVTMZFSSHJLB-AREMUKBSSA-N 445.603 6.720 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@H]2c2ccc(OC)c(O)c2)cc1 1862398695 ZCDQSGVCODNNBE-QHCPKHFHSA-N 437.536 5.122 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(F)cc2F)=C(O)C(=O)N1CCCc1ccccc1 1862411399 HCKIQSXTYZQBOA-XMMPIXPASA-N 447.481 5.484 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(C(C)(C)C)cc1 1862461386 DINSSFRDAZUQER-YEJXKQKISA-N 445.481 5.778 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCc3ccccc3)[C@@H]2c2ccccc2)cc1 1862475324 IVKLRKXZERFJJU-RUZDIDTESA-N 425.528 5.596 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862476871 FMSWVCBXNVEILW-RUZDIDTESA-N 443.518 6.036 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862480683 LZVGCNIAOOCBLO-BSLALVQMSA-N 434.492 5.060 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2c(Cl)cccc2Cl)cc1 1862482505 OPSNEKPBCDGYJV-HXUWFJFHSA-N 432.347 5.926 30 10 IKEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccccc2)cc1 1862487002 QBMAQQXQOQLWSC-CLOONOSVSA-N 441.527 5.652 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccc(N(CC)CC)cc2)cc1 1862521868 SJVCBIJFZZRMPJ-DEOSSOPVSA-N 448.563 5.062 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(O)c(OC)c1 1862653697 UKHXTKLHIAXWEP-XMMPIXPASA-N 445.515 5.323 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(N(C)C)cc2)c1 1862701750 MLAWMKCNFICFFT-DEOSSOPVSA-N 448.563 5.062 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862714712 FQORDFFQEZOBDN-SANMLTNESA-N 449.506 5.627 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862747650 UFSOHZOQNZWERT-UZUQRXQVSA-N 442.471 5.243 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1c(F)cccc1Cl 1862755958 IEHCPGPJMGSWEH-LJQANCHMSA-N 446.862 5.012 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(Nc3ccccc3C#N)=C(c3cccc4ccccc34)C2=O)c1 1862844584 UUMIRSCAXJBULE-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(OC(C)C)cc3)C2=O)cc1 1862890535 WITVXKQDSFMJKK-UHFFFAOYSA-N 437.499 5.051 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3OC(C)C)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862905616 WOPSVFYVNZMITE-UHFFFAOYSA-N 437.499 5.051 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C(C)=O)c2)=C(c2ccc(F)cc2)C1=O 1863143923 VNFZEDZYRVIBTD-UHFFFAOYSA-N 436.527 5.581 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(OC)cc2)C1=O 1863336949 RGWVHPXAHFDEMB-HXUWFJFHSA-N 431.536 5.118 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCC)=C(c2ccc(OCC)cc2)C1=O 1863568885 VKXDYSOIUUGMRR-UHFFFAOYSA-N 428.617 5.696 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccco2)=C(c2ccccc2Cl)C1=O 1863777301 ADXUABABAPIZPJ-UHFFFAOYSA-N 442.987 5.943 30 10 IKEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2C)[C@@H]1c1cccc2ccccc12 1864168285 MBCLFJHXXPKWGD-QHCPKHFHSA-N 446.595 5.053 30 10 IKEE C=CCN(CC=C)c1cc(N(C2CCCCC2)C2CCCCC2)nc(-c2ccccc2C)n1 1867959546 WTIOZARNBFWGJS-UHFFFAOYSA-N 444.667 7.102 30 10 IKEE C[C@@H]1CN(c2cc(Nc3cccc(C#N)c3)nc(C(C)(C)C)n2)C[C@@H](C)N1c1ccccc1 1868333707 RKOWLAUHJUFLKZ-WOJBJXKFSA-N 440.595 5.493 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3ccccc3[C@@H]2c2cccc(Cl)c2)nc(CC)n1 1869127521 YAAMSANXJWOECW-MHZLTWQESA-N 445.010 6.023 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3ccccc3[C@@H]2c2ccc(OC)cc2)nc(C)n1 1869292212 VIUSKDHERHGCHT-MHZLTWQESA-N 426.564 5.124 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)CC2CCCCC2)n(-c2ccc(Cl)c(Cl)c2)n1 1870004746 JXQZVXJIPMTDGG-UHFFFAOYSA-N 448.398 5.661 30 10 IKEE C=CCn1cc(OCC(=O)N(c2ccccc2)c2ccccc2)c(=O)cc1CSC(C)C 1870225701 CMXNLQVSFXEPGM-UHFFFAOYSA-N 448.588 5.420 30 10 IKEE CCCCCCCCCCn1cc(OCC(C)C)c(=O)cc1CNc1ccccc1CC 1870858758 SNJXBFFPNLWOQA-UHFFFAOYSA-N 440.672 7.198 30 10 IKEE Cc1cc(C)cc(OCCN2COc3cc(C)c4c(c3C2)O/C(=C\c2ccccc2)C4=O)c1 1871347253 KGMKHQYOKYASHS-MYYYXRDXSA-N 441.527 5.459 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(CCc3ccccc3)C4)C2=O)cc1 1871348758 MYBCOQJCZUBARB-MYYYXRDXSA-N 441.527 5.405 30 10 IKEE CC[C@H](C)N1COc2c(cc3c(c2C)O/C(=C\c2ccc(Br)cc2)C3=O)C1 1871353385 OURIKTWOTQJJEX-ATDWHHCWSA-N 428.326 5.324 30 10 IKEE O=C1/C(=C/c2ccccc2F)Oc2c1ccc1c2CN(C23CC4CC(CC(C4)C2)C3)CO1 1871353420 PWOBDXAKFKJLHN-VROXFSQNSA-N 431.507 5.563 30 10 IKEE Cc1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)cc1 1871366985 RUPMNTCRXLBHJL-QIIGYZROSA-N 439.511 5.604 30 10 IKEE O=C1/C(=C/c2ccccc2Cl)Oc2cc(OC(=O)c3c(F)cccc3Cl)ccc21 1871375507 PBSGCVRHIIQAMR-GRSHGNNSSA-N 429.230 5.968 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O)c1ccc(C(F)(F)F)cc1 1871375785 CYLXATDXQMJMAO-JAIQZWGSSA-N 428.337 5.680 30 10 IKEE O=C(Cc1ccc(Cl)c(Cl)c1)Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 1871377118 VXOFRACJRBLLSK-FBHDLOMBSA-N 443.257 5.897 30 10 IKEE Cc1cccc(OCCOc2cc(C)c3c(c2)O/C(=C\c2c(F)cccc2Cl)C3=O)c1 1871405370 DNKYATOYZGSCLT-UCQKPKSFSA-N 438.882 6.170 30 10 IKEE CC(=O)c1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871420819 LLEHYZBEFMFNSC-FMCGGJTJSA-N 447.874 5.176 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4c(C)cccc4C(C)C)ccc3C2=O)c1 1871422640 WAOXNQZWDJDVOS-QFEZKATASA-N 441.527 6.061 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O 1871429368 DHSXNVJOZFUPIM-BKUYFWCQSA-N 448.346 5.637 30 10 IKEE Cc1c(OCc2nc(O)c3ccccc3n2)ccc2c1O/C(=C\C=C\c1ccccc1)C2=O 1871431354 WPKUUMJKHCHBSX-LZNIEJQKSA-N 436.467 5.395 30 10 IKEE CCOC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\c2ccc(OCC)cc2)C3=O)o1 1871439336 UADPGGYCDBJJDC-QRVIBDJDSA-N 434.444 5.050 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cc(Cl)cc(Cl)c4)ccc3C2=O)o1 1871452680 NDGVAXVMMAXSEQ-JMIUGGIZSA-N 444.270 5.529 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(C(C)C)cc1)[C@H](C)CC)S(=O)(=O)c1ccccc1 1871851399 NEYCVVRZGSGUGE-YKSBVNFPSA-N 442.625 5.430 30 10 IKEE CCc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(Cl)cc3Cl)n2)cc1 1872761275 JVPZKWRDEJTUSU-LNENJAERSA-N 427.356 6.569 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)/C(=C\c3ccccc3)c3ccccc3)n2)cc1 1872764613 RXBWEDGETWPPOG-HDMRQQGGSA-N 436.536 6.236 30 10 IKEE CCCCc1ccc(N2C[C@@H](C(=O)[C@H](C#N)c3nc(-c4cccs4)cs3)CC2=O)cc1 1872773993 DOPQNGPCWMFELY-HKUYNNGSSA-N 449.601 5.444 30 10 IKEE CC(C)c1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1 1872776023 GVHXTFXORFATPO-VXKWHMMOSA-N 443.572 5.158 30 10 IKEE CCCCCCCOc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccco3)n2)cc1 1872777235 JBHHMXAIMRSJIO-DGXIYAMASA-N 434.561 6.642 30 10 IKEE N#C[C@@H](C(=O)/C=C/c1ccc(Cl)c(Cl)c1)c1nc(-c2c[nH]c3ccccc23)cs1 1872777758 VNAXRCCEQDZBKF-VFADXPBXSA-N 438.339 6.488 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)c2ccc([N+](=O)[O-])cc2)n1 1872786848 UKMKHZBPAMTOPK-INIZCTEOSA-N 427.869 5.179 30 10 IKEE CCCCN(CCCC)CC(=O)[C@@H](C#N)c1nc(-c2ccccc2)c(-c2ccccc2)s1 1872800881 XMDJLEQSODMBOS-HSZRJFAPSA-N 445.632 6.556 30 10 IKEE CCOc1cc(/C=N/Nc2oc([C@@H]3C[C@@H]3c3ccccc3)nc2C#N)ccc1OC(C)C 1873471277 YLVTUHITVZEMHW-WAELCUJMSA-N 430.508 5.449 30 10 IKEE C=CCn1c(-c2cc(Br)c(OCCCCCC)c(OC)c2)nc2ccccc21 1873520007 RGWNXVJSRMMJNI-UHFFFAOYSA-N 443.385 6.620 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(OC)cc2C)cc2c(NCCC3=CCCCC3)ncnc21 1873639324 MEYHCVNXYIFHSO-UHFFFAOYSA-N 445.567 5.489 30 10 IKEE CCCSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1ccccc1O 1874198464 CMVHGBGYYBHGKZ-NLRVBDNBSA-N 446.576 5.533 30 10 IKEE Cc1ccc(CSc2nnc(COc3c(C)cccc3C)n2/N=C/c2ccc[nH]2)cc1 1874298667 MCPFWVWEPMWUOQ-VULFUBBASA-N 431.565 5.285 30 10 IKEE Cc1ccc(C)c(CSc2nnc(COc3c(C)cccc3C)n2/N=C/c2ccc[nH]2)c1 1874300788 SNKKWGUBNDZXAO-MZJWZYIUSA-N 445.592 5.593 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2OC)n1/N=C/c1cn(C)c2ccccc12 1874314084 BSHCWIBZKJUWBQ-CVKSISIWSA-N 445.592 5.114 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3C)n2/N=C/c2ccccc2)cc1C 1874319898 OZKYCPOAZQNIMF-JVWAILMASA-N 442.588 5.957 30 10 IKEE Cc1ccccc1CSc1nnc(COc2cccc(C)c2C)n1/N=C/c1cccnc1 1874321942 SBZUETUOJHRHEI-JFLMPSFJSA-N 443.576 5.352 30 10 IKEE Cc1ccc(/C=N/n2c(CCc3ccccc3C)nnc2SCc2cccc(C)c2)cc1 1874361035 BFHVOKVZAGLPDW-MTDXEUNCSA-N 440.616 6.163 30 10 IKEE CCCSc1nnc(CCc2cccs2)n1/N=C/c1ccc(Br)cc1 1874372230 OXYFOLINVFIUMF-DEDYPNTBSA-N 435.416 5.272 30 10 IKEE Cc1cccc(/C=N/n2c(SCCc3ccccc3)nnc2[C@H](C)c2ccccc2)c1 1874400568 UAIGQNZPZUHJCC-LVBKAMOWSA-N 426.589 5.955 30 10 IKEE Oc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2cccc(F)c2)cc1 1874401993 CIIMEDBDVYSZGC-WGOQTCKBSA-N 432.524 5.083 30 10 IKEE C=CCSc1nnc(CC2CCCCC2)n1/N=C/c1cccc(OC)c1OCCC 1874409166 ITBOSNGPOHGXSC-JJIBRWJFSA-N 428.602 5.359 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3ccccc3F)nnc2-c2cccs2)c1 1874422369 IJSOMXQZWDAJCR-ZVHZXABRSA-N 438.553 5.719 30 10 IKEE C=C(C)CSc1nnc(-c2cccs2)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874422650 XILHSCWEANCBLR-WSDLNYQXSA-N 428.583 5.353 30 10 IKEE Fc1cccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2-c2ccccc2)c1 1874429750 ZPQIFVGGOCNINS-OGLMXYFKSA-N 438.531 6.412 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1cccc(OCCC)c1 1874476099 CWDFJSKTXJOWQH-PCLIKHOPSA-N 426.561 5.723 30 10 IKEE Cc1ccc(/C=N/n2c(CC(C)C)nnc2SCC(=O)Nc2cc(C)cc(C)c2)cc1 1874489476 URHHKSNCPIKOEG-AFUMVMLFSA-N 435.597 5.015 30 10 IKEE COc1ccccc1/C=N/n1c(CC(C)C)nnc1SCc1ccc(Cl)c(Cl)c1 1874491181 DAXJNGZPFVDJGM-WYMPLXKRSA-N 449.407 5.967 30 10 IKEE COc1ccc(/C=N/n2c(S)nnc2C2CC2)cc1OCc1ccc(Cl)c(Cl)c1 1874558336 ALQXMKPAAQJJBC-AUEPDCJTSA-N 449.363 5.221 30 10 IKEE COC(=O)c1ccc(COc2ccccc2/C=C/C(=O)c2cccc(Br)c2)o1 1874575743 FFLBWEHLVDLEDY-PKNBQFBNSA-N 441.277 5.304 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc3ccccc3c2/C=C/C(=O)c2ccccc2)c1 1874578270 FLVPUFPOXGFVQH-FOCLMDBBSA-N 435.523 6.370 30 10 IKEE C=C(C)COc1c(OC)ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)c1Br 1874598178 YQARHNRYBNYMRI-ZRDIBKRKSA-N 429.354 6.432 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc([N+](=O)[O-])c1OCc1cccc(C)c1 1874620236 PEYYPDKWBYHSDX-DHZHZOJOSA-N 449.478 6.225 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2Cl)c1 1874625189 QHUHYRXZUJQDPW-YCRREMRBSA-N 437.898 6.010 30 10 IKEE CCCOc1ccc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)cc1Br 1874628620 MKDUVOUCQITCSF-GQCTYLIASA-N 444.152 6.449 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OCC(=O)Nc1c(C)cccc1C 1874633195 PXLRMACOWXBEHZ-JLHYYAGUSA-N 443.543 5.842 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1874638737 PBNYDVTWXHVFPM-ONNFQVAWSA-N 447.745 7.131 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OC(=O)c1ccc(F)c(F)c1F 1874699551 ZZNPATZCGZPQSZ-WEVVVXLNSA-N 446.808 5.881 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc1OC(=O)c1ccncc1 1874718685 LQEGMECPBKHIMS-JXMROGBWSA-N 439.467 5.367 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C2CCC2)c([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 1875078631 VHRZUWSPTPTPIB-OQLLNIDSSA-N 427.456 5.863 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OC(=O)CSc1ccccc1 1875127381 BFASNMUWJAAGTA-OUKQBFOZSA-N 438.932 5.942 30 10 IKEE O=C(COCc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1 1875135303 KBEYNCUVFMOXIA-MDWZMJQESA-N 441.310 6.012 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)[C@H](C)c1ccccc1 1875137855 IIRVSGWHLHYYSF-FBRRREGBSA-N 444.527 5.926 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)COc1ccc(C)cc1C 1875158693 IVXNABLREKLYKE-WUXMJOGZSA-N 448.490 5.722 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)C2CCC2)c(Cl)c1 1875168387 ZWOKPLGEBCSLLR-FNORWQNLSA-N 439.722 6.257 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2ccc(OC(=O)CC3CCCCC3)cc2)cc1Cl 1875185763 NWSBGDBVYQSMIH-FMIVXFBMSA-N 447.358 6.774 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)c1cccnc1 1875190709 NAMDGFIKVDWTIJ-WEVVVXLNSA-N 442.298 5.902 30 10 IKEE CC1(C)C[C@H]([C@@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C1 1945903301 XTVDNZVXKKMZLM-QZTJIDSGSA-N 449.617 5.413 30 10 IKEE C=C([C@H](NCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)C(C)(C)C 1947453958 QNYSXQINVNNGDN-QFIPXVFZSA-N 429.649 5.126 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCC2)C2(CCC2)C1 2019922403 VETGHKUTIGLIDM-RBUKOAKNSA-N 433.593 5.095 30 10 IKEE CCCN[C@]1(C#N)CCC[C@H]1CCN(CCN(C)Cc1ccccc1)Cc1ccccc1 2034739402 LCOLPSDZWHSZCY-NSOVKSMOSA-N 432.656 5.073 30 10 IKEE O=C(C=Cc1cn(-c2ccccc2)nc1-c1cccc(Br)c1)c1ccc(F)cc1 2053610829 AENRVMIGPUKJTE-UHFFFAOYSA-N 447.307 6.337 30 10 IKEE C=C(C)[C@H]1CC[C@@]2(C(=O)O)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)C(=O)C[C@@]34C)[C@@H]12 2053639284 NUDCZUBEFGYVSS-LOBUJBOISA-N 440.668 6.908 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)[C@H]1C(C)(C)C 2076161436 OBAMUDIZTUTSCN-HOYKHHGWSA-N 447.551 5.495 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]12[C@H]3CC[C@@H](C[C@H]31)[C@H]2NC(=O)OC(C)(C)C 2076924662 HDHWEZMYYUNGGL-YPQVKFQYSA-N 440.628 5.067 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1n1nc(-c2ccccc2)c(C#N)c1Br 2080353620 WVGMPKYMAXNHHP-INIZCTEOSA-N 431.334 5.104 30 10 IKEE Fc1cccc(C(F)(F)F)c1-c1c(C(F)(F)F)nn2c(Cl)c3c(nc12)CCOC3 2081431906 GQJBNHQWMNBAJG-UHFFFAOYSA-N 439.718 5.299 30 10 IKEE CCOc1ccc(C(F)(F)F)cc1-c1c(C2CCCCC2)nn2c(N)c(C#N)cnc12 2081512882 OKVNURMTZCHZFV-UHFFFAOYSA-N 429.446 5.315 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]([C@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)C1 2082159364 AWXLDHMPKHKBMG-OJLQRUNKSA-N 447.551 5.543 30 10 IKEE C=CC1(C[C@@H](NCC)c2cc(I)ccc2Br)CCC1 2111711989 SSECEQWVUVLVOP-OAHLLOKOSA-N 434.159 5.451 30 10 IKEE C#CCCCC[C@H](NCCC)c1ccc(Br)cc1I 2142286678 GRWFBNRVSNFMNO-INIZCTEOSA-N 434.159 5.288 30 10 IKEE Brc1csc(CN=C2NC3(CCCCCC3)CS2)c1Br 2150561910 KNOCPJJPVHYPPM-UHFFFAOYSA-N 438.254 5.559 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCC(Nc3ccc(C#N)c(Br)c3)CC2)C1 2155993269 LWORBDCNHTWBDW-UHFFFAOYSA-N 434.378 5.302 30 10 IKEE C[C@H]1CCCN(c2cc(Br)cc(C#N)c2)[C@@H]1CCCNC(=O)OC(C)(C)C 2174807937 IHZGLONMUKDPGK-HNAYVOBHSA-N 436.394 5.231 30 10 IKEE CCCCCCCCCCCC[S@](=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2195305487 YPTGZNOMCVLHJT-DFXYEROKSA-N 439.618 5.036 30 10 IKEE C[C@@H](C[C@H]1CCCCCN1C(=O)OC(C)(C)C)Oc1cc(Br)cnc1C#N 2198815912 RDVNNVJHTVIYPE-GOEBONIOSA-N 438.366 5.053 30 10 IKEE C=CCCCCCC[C@H](NCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2206902214 IDOJFZUCUJGWPH-FQEVSTJZSA-N 439.438 6.973 30 10 IKEE C=CCCCCCCCC[C@H](N)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2207413427 JUDYXAPLGCJATP-IBGZPJMESA-N 439.438 7.103 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Cl)c(Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)c1 2224083074 YFNJWLWOKNDZPC-UHFFFAOYSA-N 445.756 5.125 30 10 IKEE C=C(C)C[C@@H](NCCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2229117190 WUVVLDWOHVTAKW-MOPGFXCFSA-N 425.411 5.219 30 10 IKEE C[C@H](Nc1ccc(Br)cc1I)c1cccc(C#N)c1 2231664336 CIPOWEDLLXDBHZ-JTQLQIEISA-N 427.083 5.098 30 10 IKEE CN[C@H](CC=CC#CC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2248472362 ABCBOBRFMUQKFY-YMPZKCBVSA-N 428.617 5.069 30 10 IKEE CC1(C)OB(c2cccc(C(=O)N(Cc3ccccc3)c3ccccc3)c2Cl)OC1(C)C 2267012203 QLCYXUVJYIYGPC-UHFFFAOYSA-N 447.771 5.486 30 10 IKEE CC(C)(C)C#CC=CC[C@H](N)c1ccc(I)c(Br)c1 2268828230 UIIVXIYXBDZBSZ-HNNXBMFYSA-N 432.143 5.049 30 10 IKEE Cc1cc(Br)c(Cl)cc1Nc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2283013328 GOOYWDSHRXIVLJ-UHFFFAOYSA-N 437.574 5.036 30 10 IKEE C#CCN1C(=O)SC(=Cc2cc(Cl)c(OCc3ccccc3F)c(OCC)c2)C1=O 2294143842 NFVZSOFQOSJYBQ-UHFFFAOYSA-N 445.899 5.126 30 10 IKEE CC(C)[C@H](CCNC(=O)OC(C)(C)C)CC[C@@H](N)C#Cc1cccc(Br)c1 2296215879 FLFWSWHOCPYEJO-ICSRJNTNSA-N 437.422 5.095 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C=C[C@H](O)C#Cc2cccc(Br)c2)cc1 2296216097 HGRAULSBBVYGDS-FQEVSTJZSA-N 428.326 5.222 30 10 IKEE COc1ccccc1[C@@H]1C(=C(O)c2ccccc2)C(=O)C(=O)N1c1ccc(C)c(Cl)c1 2296235633 JAXAOKXPROZBAT-JOCHJYFZSA-N 433.891 5.283 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H](CCC(C)C)NC(=O)OC(C)(C)C 2296302851 ORUPFLSLNNKEJE-UXHICEINSA-N 437.422 5.108 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccc(Br)cc1)C2=O)c1ccc(F)cc1 2314437455 MXHDOHIRQPTBTE-UHFFFAOYSA-N 439.236 5.424 30 10 IKEE Cc1nnc(N=C2SC(=Cc3cn(C)c4ccccc34)C(=O)N2C2CCCCC2)s1 2314547168 DQKSZJCEUSRYGI-UHFFFAOYSA-N 437.594 5.275 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1N=Cc1c[nH]c2cc(Cl)ccc12 2321820346 XNXRAUFIWBZHHY-UHFFFAOYSA-N 427.936 5.679 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1c(Cl)cccc1Cl)O3)CN(C1CCCCC1)CO2 2322016391 UQUUXMAKKZEEFT-UHFFFAOYSA-N 444.358 6.403 30 10 IKEE COc1ccc([C@H](C)N2COc3cc(C)c4c(c3C2)OC(=Cc2cccc(C)c2)C4=O)cc1 2322248761 BUFUOMBQNIBRAH-IBGZPJMESA-N 441.527 5.841 30 10 IKEE CCc1ccccc1NC(=O)COc1ccccc1C=CC(=O)c1ccc(OC)c(OC)c1 2322346782 FBLTVVSNQLLBIM-UHFFFAOYSA-N 445.515 5.180 30 10 IKEE COc1cccc(C=CC(=O)c2cccc(Br)c2)c1OCc1cccc(F)c1 2322466229 AEAFQPFNYRIVLB-UHFFFAOYSA-N 441.296 6.072 30 10 IKEE COc1cccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)c1OCC(=O)NCc1ccco1 2322844882 FYNOQEXHUJOEBO-UHFFFAOYSA-N 447.531 5.113 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 2323134933 YCHMLDSYUSSSLS-UHFFFAOYSA-N 427.327 6.867 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OCC(=O)Nc1cccc(C)c1 2323138630 XKAMJARXTNPDBX-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE O=C1C(=Cc2ccccc2Cl)Oc2cc(OC(=O)c3c(F)cccc3Cl)ccc21 2323353141 PBSGCVRHIIQAMR-UHFFFAOYSA-N 429.230 5.968 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1)Nc1ccc(F)cc1 2323395853 QOJLOHKAWPHNEG-UHFFFAOYSA-N 425.459 5.893 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc3ccccc23)cc1)c1ccc(Cl)cc1Cl 2323511761 MPHSPFJWOMQVHT-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE Cc1cccc(COc2ccc(C=CC(=O)c3ccc(Br)cc3)cc2Cl)c1 2323582693 MIOZPLRDFPQTCK-UHFFFAOYSA-N 441.752 6.886 30 10 IKEE CCN(CCc1ccncc1)Cc1c(O)cc(C)c2c1OC(=Cc1ccccc1C)C2=O 2324091335 KHZPSRBIIUJZGB-UHFFFAOYSA-N 428.532 5.085 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OCc1cccc(Cl)c1 2324353860 PKVLHSLORDSCKW-UHFFFAOYSA-N 448.990 7.447 30 10 IKEE N#C[C@@H](C(=O)C=Cc1ccc(Cl)cc1)c1nc(-c2cccc(Br)c2)cs1 2324439548 XXNSMECKARLTMJ-KRWDZBQOSA-N 443.753 6.116 30 10 IKEE C=C(C)COc1ccc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc1Br 2324514637 UABNZMSGXCBZME-UHFFFAOYSA-N 435.745 6.271 30 10 IKEE COc1cccc(C=C2Oc3cc(OCCOc4ccc(C)cc4)cc(C)c3C2=O)c1OC 2324538449 LVBCMJNECDFAFN-UHFFFAOYSA-N 446.499 5.395 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3)cc2)c2ccccc12 2324673235 OULCVEYJGJUIIH-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE COc1ccc(OCCOc2ccc3c(c2C)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2324683446 FYHJTFBWLMIJSL-UHFFFAOYSA-N 436.891 5.731 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc([N+](=O)[O-])cc3)n2)cc1Cl 2324807563 DOIGSBYQPLQBGX-INIZCTEOSA-N 439.880 5.270 30 10 IKEE O=C1C(=Cc2ccccc2F)Oc2cc(OCc3c(Cl)ccc(Cl)c3Cl)ccc21 2325168543 BCZQWJUUUCMWPF-UHFFFAOYSA-N 449.692 6.981 30 10 IKEE C[C@H]1C[C@](C#N)(Cc2ccc(I)c(Br)c2)CCS1 2325257513 YJKRCLKPXKEHFA-HZMBPMFUSA-N 436.156 5.022 30 10 IKEE CCCOc1ccccc1C=Nn1c(CC)nnc1SCc1c(Cl)cccc1Cl 2325603462 MRMKLWXILFHJMJ-UHFFFAOYSA-N 449.407 6.111 30 10 IKEE CCOc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 2325722076 FDDUZXKDFZUYLS-UHFFFAOYSA-N 431.444 5.038 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1c(C)[nH]c2ccccc12 2326458315 TYVLENYMXHGJBM-UHFFFAOYSA-N 431.609 6.202 30 10 IKEE Cc1cccc(C=Nn2c(CCc3ccccc3Cl)nnc2SCc2ccccc2)c1 2327956826 WQQRIHUGXFAVNM-UHFFFAOYSA-N 447.007 6.200 30 10 IKEE C=CCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1c(OC)ccc2ccccc12 2329121030 GKUAQFOAOHPPNU-UHFFFAOYSA-N 448.979 5.844 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccccc2Cl)n1N=Cc1cccc(F)c1 2329538846 OVEZGCQWBQFUSQ-UHFFFAOYSA-N 436.943 6.221 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCCc2ccccc2)n1N=Cc1ccc(O)cc1 2330115044 XYRBSVDCXNMGSM-IBGZPJMESA-N 428.561 5.353 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(C)c3)c(OC)c2)cc1OC 2330736027 AUWUZRSGIYMUHE-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)cc(Cl)c1OC(=O)c1cccs1 2330752554 PIXUGPFKWPJDRZ-UHFFFAOYSA-N 440.948 6.478 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(CCCC)cc2)cc(OC)c1OC(=O)C(F)(F)F 2330845049 YPSCQMDWPWDPRI-UHFFFAOYSA-N 446.465 6.130 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(CC(C)(C)C)n2N=Cc2cccs2)c(C)c1 2330880294 OGNVPVPAGQLLSQ-UHFFFAOYSA-N 441.626 5.158 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Br)c1OC(=O)C1CC1 2331131701 QQKPCAPDGXORTE-UHFFFAOYSA-N 449.728 5.713 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCCc3ccccc3)nnc2C(F)(F)F)cc1 2331141807 JABZSFAEWXPDQJ-UHFFFAOYSA-N 448.514 5.693 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccccc1 2331154576 KNXOKTZSQOKXDQ-UHFFFAOYSA-N 436.891 5.619 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)c1ccc(C)c([N+](=O)[O-])c1 2331165346 BHRALZHOQIAUJN-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(-n3cccc3)cc2)c([N+](=O)[O-])c1)c1ccccc1 2331170320 YGHSWEQUEDRYBN-UHFFFAOYSA-N 438.439 5.501 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3C)c(Cl)c2)c(C)c1 2331224374 XPASCTXIORZLIT-UHFFFAOYSA-N 432.947 6.700 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)c1ccc(OC(C)=O)cc1 2331235140 VESGYJQXONIBBL-UHFFFAOYSA-N 444.483 5.353 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3C)cc2)c1 2331382230 MWYZXCYOHWSPMW-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 2331442623 QHIARMOEFAZLMK-UHFFFAOYSA-N 425.437 5.095 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(F)c2)cc(OC)c1OC(=O)c1cccnc1 2331464146 DCWUKTXMCOPNBS-UHFFFAOYSA-N 447.462 5.082 30 10 IKEE CC(C)c1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2331706365 HQIPBLJLZGOLTE-UHFFFAOYSA-N 447.520 5.343 30 10 IKEE CCOc1cc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C(C)C)ccc1O 2331716593 NFVFQRJGGFZFNH-UHFFFAOYSA-N 448.951 5.473 30 10 IKEE CCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)cc2OC)cc1Br 2331723963 XTQLQCMJCIIUAM-UHFFFAOYSA-N 433.298 5.068 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3cc(C)ccc3C)cc2)cc1C 2331835288 FBVGGRZOJKUQGH-UHFFFAOYSA-N 428.528 5.973 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(C=CC(=O)c3cc(C)c(OC)cc3C)cc2)c1 2331835479 XOXGSKJYKPDVDS-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE CCN[C@@H](C#CC1(SC)CC1)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2336207113 WHRTZBAUOLVNBA-KRWDZBQOSA-N 439.419 5.346 30 10 IKEE CC[C@@H](CCCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339595875 LWZYALHJMCGVPB-IBGZPJMESA-N 446.397 5.189 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)[C@@H]1C[C@H]1c1ccccc1 2357745703 JPRGUGSMQGSHGJ-ZCNNSNEGSA-N 427.342 5.886 30 10 IKEE CC1(C)C[C@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN1Cc1ccccc1 2365059698 VEMFUNLCKJZSRJ-LKVFMFGUSA-N 447.432 5.581 30 10 IKEE CCCN[C@@H](C#C[C@H]1CC1(C)C)c1ccc(I)c(Br)c1 2365096570 QYZCHKRQYORLGQ-BBRMVZONSA-N 446.170 5.144 30 10 IKEE C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CCSc1nnc(-c2ccc(OC)cc2)o1 4648757 YRGLKFYABDJLHS-BPYKYCOYSA-N 426.626 7.026 30 10 IKEE C=C(C)COc1ccccc1NC(=O)COc1ccc([C@H](C)CC)cc1Br 14832084 WOUBODVSFKLZEF-MRXNPFEDSA-N 432.358 5.935 30 10 IKEE CCc1ccc(N/C=C2/C(=O)c3sccc3N(Cc3ccc(C)cc3)S2(=O)=O)cc1 20575713 UTIYPSMPTVCSNJ-STZFKDTASA-N 438.574 5.105 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)CCSc2n[nH]c(N/N=C(\C)c3ccccc3)n2)cc1 20835151 PSPKLEHPRCIZSH-MQISTKKBSA-N 436.585 5.275 30 10 IKEE CC[C@H](Sc1cc(C)c2cccc(C)c2n1)C(=O)Nc1c(C#N)cnn1-c1ccccc1 32528950 HOLDNQFBQUQZRR-NRFANRHFSA-N 441.560 5.418 30 10 IKEE CCOC(=O)c1ccc(-c2ccc(/C=C3/S/C(=N\c4cc(C)cc(C)c4)NC3=O)o2)cc1 38216501 GIFVUZRHIIZLJU-HYARGMPZSA-N 446.528 5.632 30 10 IKEE CC[C@H](C)Oc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(C(C)(C)C)cc1)C2 59531674 BYMNWWZJXKGFIL-JXHRLWIKSA-N 445.603 6.166 30 10 IKEE CCCCCCCC(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccccc2OCC)cc1 98021407 YCTKIQFCNKCZBM-RUZDIDTESA-N 440.609 6.163 30 10 IKEE CCCCCCCOc1cccc(NCC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c1 100090197 WBXMDCBCSUDTCY-UHFFFAOYSA-N 437.584 5.322 30 10 IKEE CCCCN(CCCC)CN1C(=O)/C(=C/C=C/c2ccccc2)S/C1=N\c1ccccc1 100175665 VZCYVBBKKJLBOR-CTASQQJZSA-N 447.648 6.707 30 10 IKEE CCCCCCCOc1ccc(NC(=O)c2cc(Br)ccc2OCC)cc1 100194788 JWEAWFSEHGEKPD-UHFFFAOYSA-N 434.374 6.449 30 10 IKEE CCCCCCCOc1ccc(C(=O)Oc2ccc(C(C)(C)C)cc2Br)cc1 100219559 QIWQXGGIFRVLKO-UHFFFAOYSA-N 447.413 7.315 30 10 IKEE Cc1c(C(=O)Nc2ccc(C(C)C)cc2)oc2c1/C(=N\Nc1ccccc1)CC(C)(C)C2 101108916 CYSJEIHUDZQBSO-SWKFRHMKSA-N 429.564 6.752 30 10 IKEE CCCCCCCCCCCn1c(CCCNC(=O)C(CC)CC)nc2ccccc21 102145933 ZPHYQQPDJDWCOG-UHFFFAOYSA-N 427.677 7.052 30 10 IKEE CCCCCCCCCCCCn1c(CNC(=O)c2ccccc2C)nc2ccccc21 102216865 XXIZAWAQJIAVLG-UHFFFAOYSA-N 433.640 7.196 30 10 IKEE O=C1/C(=C\c2ccccc2)Oc2cc(OC(=O)N(c3ccccc3)c3ccccc3)ccc21 103022296 RXODHIGWJAQSBO-NLRVBDNBSA-N 433.463 6.640 30 10 IKEE Cc1nc(N2C(=O)C(=O)/C(=C(\O)c3cccs3)[C@H]2c2ccc(C(C)C)cc2)sc1C 103097652 CAGWHKOMOXFQJN-LAFOYAEKSA-N 438.574 5.571 30 10 IKEE Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc2ccccc2nc1N1CCCC1 110386390 WJIGENKJQSVEOK-UHFFFAOYSA-N 449.514 5.455 30 10 IKEE C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C)C(C)C 118915294 HUNLTIZKNQDZEI-PRHZOYELSA-N 426.729 8.025 30 10 IKEE biogenic,in-vitro COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccccc2C)cc1 169926493 IDWYQFVBHXWMPO-XMMPIXPASA-N 427.500 5.403 30 10 IKEE CC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1cccc(OCc2c(Cl)cccc2Cl)c1 169936835 DHXSYHXLOYLGHZ-HXUWFJFHSA-N 435.376 5.296 30 10 IKEE CN(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C2CCCCC2)cc1 169956996 OCDDKSJRWHORCF-QFIPXVFZSA-N 438.955 5.317 30 10 IKEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4ccc(C)c(C)c4)[C@@H]3c3ccccc3)nc2c1 170055952 BYCSVNXHMXZWIC-QHCPKHFHSA-N 437.499 5.271 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(C(C)C)cc2)cc1 170066500 CIXUOGJTMFLVON-LADGPHEKSA-N 433.548 5.130 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 170066592 XUPPLRCSUJJYIH-UNMCSNQZSA-N 439.939 5.221 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccccc2F)c(C)c1 170072300 VSGWCZBFPJQIBN-HSZRJFAPSA-N 449.453 5.060 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccco2)cc1 170090789 GIIROVPMKBXFQT-OAQYLSRUSA-N 446.459 5.268 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(C)o2)c1 170099674 QEYJOZIJULANDK-HSZRJFAPSA-N 447.487 5.087 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccc(OC)c2)cc1 170118070 QPHXFYMURCQXIV-XMMPIXPASA-N 443.499 5.267 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCCOC(C)C)c1 170148190 MKTDZTPDWWZBBX-VWLOTQADSA-N 443.543 5.542 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@@H]1c1cccs1 170160839 IXIFTBLZVNGNDN-JOCHJYFZSA-N 449.528 5.165 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1ccncc1)c1cccc2ccccc12 170206646 ATUBYZZGYRMFRT-QHCPKHFHSA-N 442.421 5.296 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(F)cc2)cc1C 170238351 FABJXKNIYKTIHD-QFIPXVFZSA-N 435.426 5.065 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccc(F)cc2)cc1 170239902 UWRFHCCPTHEDMK-XMMPIXPASA-N 445.490 5.704 30 10 IKEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(C4CCCCC4)[C@H]3c3ccc(F)cc3)ccc2O1 170242425 PSXBIRFYBBIENZ-CMJOXMDJSA-N 435.495 5.060 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@@H]1c1ccc(F)cc1 170243169 NSILXGYIAMUBRX-QHCPKHFHSA-N 439.527 5.645 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2C2CCCC2)cc1 170246324 UZOOTBQZXIBBDP-RUZDIDTESA-N 445.559 5.656 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2cccc(O)c2)cc1 170257863 FXXGRXNEOLSHJM-HSZRJFAPSA-N 447.462 5.101 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1cn(C)c2ccccc12 170269650 QYRBOYLSQPPZRI-DEOSSOPVSA-N 444.575 5.773 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccco2)cc1C(C)C 170287584 OLCPKEXREPZHCI-HSZRJFAPSA-N 431.488 5.503 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccc(C)o2)c1 170304736 SYXFLUCIHZZFDR-HSZRJFAPSA-N 431.488 5.386 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2sccc2C)c1 170314178 OVEVTAPWNUNRLI-JOCHJYFZSA-N 447.556 5.935 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@@H]1c1sccc1C 170318609 HSXTVEWWUQXLFW-GOSISDBHSA-N 433.957 5.487 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(CC)cc2)c1 170390006 TWBRWPLAXCPNGN-QHCPKHFHSA-N 431.488 5.414 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]1c1cccs1)c1ccccc1 170415962 QTIADYNWACFPLP-LJQANCHMSA-N 443.446 5.545 30 10 IKEE Cc1cccc(C)c1OCCCC(=O)Nc1c(C#N)cnn1-c1cc(C)c2ccccc2n1 170536931 DRVOIYVDHLNZNB-UHFFFAOYSA-N 439.519 5.015 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1ccccc1S(=O)(=O)O 218850954 BJOVEMAZPMCZOD-UHFFFAOYSA-N 439.662 7.133 30 10 IKEE O=C(Oc1ccc(C=Nc2ccc(Br)cc2)cc1)c1cccc2ccccc12 254507447 RKHKMGBHAZFGNB-UHFFFAOYSA-N 430.301 6.572 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2c(C)[nH]c3ccccc23)c1 526516499 NVMYQZIRSDUNFT-SANMLTNESA-N 449.510 5.804 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2ccc(Cl)cc2Cl)[C@H]1c1ccc(F)cc1 526608378 IMMJPPPRUFVLFC-OAQYLSRUSA-N 439.273 6.061 30 10 IKEE COc1c(Cl)cc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccco2)cc1Cl 526609349 UXKFEBBRDVUMAJ-LJQANCHMSA-N 441.270 5.524 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1cccc(C(F)(F)F)c1 526805355 KTBPDVMIYRGYPB-WGARJPEWSA-N 432.515 6.122 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1cccc([N+](=O)[O-])c1 526814537 HDCDQLPEZCYEEJ-FBHDLOMBSA-N 436.324 5.230 30 10 IKEE CCCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1/N=C\c1ccc(Cl)cc1 526830555 NPKFWCVFZDDGGE-QRVIBDJDSA-N 446.960 5.218 30 10 IKEE C=CCCN(c1ccc(Br)c(C)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586243526 HLPXZTNYOAHJDM-UHFFFAOYSA-N 449.197 5.836 30 10 IKEE CCc1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2cc(Cl)ccc2OC)cc1 586258482 KDDQYFJMJZXLCS-UHFFFAOYSA-N 440.952 5.178 30 10 IKEE CC(C)Oc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2ccc(C(C)C)cc2)cc1 586259035 IUUGNCRCVNIFMY-UHFFFAOYSA-N 448.588 5.864 30 10 IKEE Cc1ccc(CNC(=O)Nc2cccc(C(=O)Nc3scc(C(C)(C)C)c3C#N)c2)cc1 586637975 RMKHGLUKCTXFAY-UHFFFAOYSA-N 446.576 5.800 30 10 IKEE COc1ccc(Br)cc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(C)c1 698416410 FFIWXWDUQHHYEN-SFHVURJKSA-N 431.330 5.773 30 10 IKEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@@H](C#N)c1ccc(Br)cc1Cl 698825797 CVAYYAOXTKMYTK-LBPRGKRZSA-N 427.648 5.467 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698912875 WMMCQVVPCCNRAS-HOYKHHGWSA-N 435.609 5.486 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCO[C@H](C(C)(C)C)C1 721574535 HDIIMOBNXOYQGA-LAUBAEHRSA-N 437.378 5.678 30 10 IKEE C[C@H]1CCCCN1c1ccc(C(F)(F)F)cc1N=Cc1cc(Cl)cc(Cl)c1O 725408725 KZOBXPOCLOHGMQ-LBPRGKRZSA-N 431.285 6.847 30 10 IKEE CCOc1cc(C=Nc2ccc(C)cc2)ccc1OC(=O)c1sc2ccccc2c1Cl 1084607598 IQITXALPSSARCD-UHFFFAOYSA-N 449.959 7.232 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=Nc1cccnc1 1772731539 NJOYYWFOBWNWQH-YENWFTGLSA-N 430.316 5.882 30 10 IKEE Cc1c(N=Nc2cccc(C(F)(F)F)c2)c(O)n([C@H](C)c2ccccc2)c(=O)c1C#N 1772741512 QTQDNODUJLKVEK-CQSZACIVSA-N 426.398 5.778 30 10 IKEE O=C1NC(=NN=Cc2cccc3ccccc23)S[C@@H]1Cc1ccc(Cl)cc1Cl 1772742285 KQDUPOCLJZSIMF-LJQANCHMSA-N 428.344 5.311 30 10 IKEE CCCCCCCCNC(=O)c1cc(CCc2ccccc2)n(Cc2ccc(F)cc2)n1 1862319183 PSFWQNXNXLVRAF-UHFFFAOYSA-N 435.587 5.946 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1cccc([N+](=O)[O-])c1 1862383836 NQIWZRHHMWTBTK-VOJFVSQTSA-N 449.290 5.278 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@H]1c1ccc(OCC)c(OC)c1 1862394285 KRBGWWOFBMQZJM-XMMPIXPASA-N 449.547 5.201 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2cccc(F)c2)cc1C 1862401950 NPWTYHJWCVRWKT-DEOSSOPVSA-N 449.522 5.612 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccccc1C 1862429428 MSRHDSQDHVUERS-HSZRJFAPSA-N 439.983 6.587 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccccc1Cl 1862446355 QHFLBCBQWXHJQJ-YFZFPPMRSA-N 444.358 6.150 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862448568 QEBJETPIJVLZDI-FQEVSTJZSA-N 442.899 5.407 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1c(F)cc(F)cc1F 1862467667 UHXDEKZHCRRZSB-QGZVFWFLSA-N 442.220 5.151 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCCCC2)cc1 1862489123 PXUHBIUXYGVEHB-VWLOTQADSA-N 431.576 6.167 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862506926 BXVMSJSKJVWECD-DEOSSOPVSA-N 433.523 5.911 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2cccc(Cl)c2)cc1 1862507086 DSNPQTINJQCUHC-HSZRJFAPSA-N 449.909 5.874 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1ccc2cc[nH]c2c1 1862516900 ZUTVRUADEHJJJA-DEOSSOPVSA-N 446.547 5.725 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2ccc(Cl)cc2Cl)cc1 1862539098 OOQNHOSRGIGCBC-FQEVSTJZSA-N 448.346 5.171 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862594406 DNHFRSHLHSDZFQ-DEOSSOPVSA-N 445.490 5.433 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1ccc(C(C)(C)C)cc1 1862644394 KBKLNEFEHIDBIO-IVZQSRNASA-N 439.527 5.509 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862649486 ZLJFIBHQEUCOCL-HHHXNRCGSA-N 447.534 6.235 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccc(Cl)cc2)c1 1862674163 KRSMAZIUJVMRJL-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@H](C)c2ccccc2)c1 1862676788 RBEREMRGFLGMDV-OSPHWJPCSA-N 445.490 5.564 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(OCc2ccccc2)cc1 1862685136 OZKIZMYUUSWVCN-DEOSSOPVSA-N 445.490 5.391 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(O)cc1)c1ccc2ccccc2c1 1862712960 DOXQSDFDUXUXEA-AREMUKBSSA-N 449.506 5.366 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(O)cc1 1862724934 XIGISPREARHCND-BXKMTCNYSA-N 427.500 5.436 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(C(C)(C)C)cc1 1862757486 YUZVASWHWJBHFD-QVKFZJNVSA-N 436.508 5.269 30 10 IKEE Cc1ccc(C2=C(Nc3ccc4ccccc4c3)C(=O)N(c3ccccc3C#N)C2=O)cc1C 1862885264 PQXMHJKNMNTVKK-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE N#Cc1ccccc1N1C(=O)C(Nc2cccc(Cl)c2)=C(c2c[nH]c3ccccc23)C1=O 1863136249 FACICBVQXIWDQX-UHFFFAOYSA-N 438.874 5.090 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(C)c(C)c2)C1=O 1863260422 OXPOEFGWNTUSEN-UHFFFAOYSA-N 429.564 5.728 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)[C@@H](C)Oc2ccccc2C(C)C)c1 1865930470 LAVMRWYRNCOQJD-LJQANCHMSA-N 426.516 5.627 30 10 IKEE C=CCn1cc(OCCCCOc2ccc(C)cc2)c(=O)cc1CSc1ccc(C)cc1 1870225578 WNVGPYDVDQHACO-UHFFFAOYSA-N 449.616 6.181 30 10 IKEE C#CCOc1cn(CCCCCCCCCC)c(CSCc2ccccc2)cc1=O 1870300648 OMQAPVKICNIIGW-UHFFFAOYSA-N 425.638 6.434 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCCCOc2ccccc2)cn1CCC(C)C 1870318622 OEIVIPFGUOMSBB-UHFFFAOYSA-N 438.612 5.306 30 10 IKEE C=CCn1cc(OCC2CCCCC2)c(=O)cc1CNc1ccc(-c2ccccc2C)cc1 1870913448 QDHITNXVJNSLDR-UHFFFAOYSA-N 442.603 6.581 30 10 IKEE C#CCOc1cn(Cc2ccccc2Cl)c(CNc2cccc(C(C)(C)C)c2)cc1=O 1871005718 UWIDDKPAJNDMKW-UHFFFAOYSA-N 434.967 5.472 30 10 IKEE O=C1/C(=C/c2ccccc2OC(F)F)Oc2c1ccc1c2CN(Cc2cccs2)CO1 1871345739 JWSWYFJKHPWVAH-JMIUGGIZSA-N 441.455 5.318 30 10 IKEE CCCCC[C@@H](CC)N1COc2cc(C)c3c(c2C1)O/C(=C\c1cccc(OC)c1)C3=O 1871347544 GMUWYRXCCRHUOJ-ZOLHPDHPSA-N 435.564 6.131 30 10 IKEE Cc1c(OC(=O)/C(Cl)=C/c2ccccc2)ccc2c1O/C(=C\c1ccccc1F)C2=O 1871377365 HOFOFPLDGBVJQE-QZIRTPBFSA-N 434.850 5.936 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)c(OCC)c1 1871386661 GSKQDHZRYKKFNP-QFEZKATASA-N 444.483 5.628 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OC(=O)c3cccc(OC(C)C)c3)ccc2C1=O 1871387378 RNFGCBRCHFXFQB-OYKKKHCWSA-N 430.456 5.318 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2C)C3=O)c1 1871387575 CZFYZOSMFJUBNA-JLPGSUDCSA-N 428.484 5.928 30 10 IKEE C=CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(F)c2)C3=O)c1 1871388830 MARYFNRGTCHZGP-QRVIBDJDSA-N 430.431 5.534 30 10 IKEE Cc1c(OCCCc2ccccc2)ccc2c1O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 1871399715 QBPBXPOHYWETRV-ANYBSYGZSA-N 446.546 7.290 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871406564 IXHUFNNMGCIBEE-VRHSPDTKSA-N 449.890 5.371 30 10 IKEE CCCCCCOC(=O)COc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O 1871421793 LLZAYRTZVZVHTQ-BKUYFWCQSA-N 449.330 6.112 30 10 IKEE CC(=O)c1cccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)o2)C3=O)c1 1871425923 JYUOBAYTGICFBY-QWUOEIFBSA-N 445.471 5.121 30 10 IKEE Cc1c(OCC(=O)Nc2c(F)cccc2F)ccc2c1O/C(=C\C=C\c1ccccc1)C2=O 1871440864 LMLPPEHKXGGJFL-LUIQNUNFSA-N 447.437 5.463 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(Cl)c(C)c2)[nH]c(N2CCC[C@@H](C)C2)n1 1871664002 WLCQOSIVHQDYFS-GOSISDBHSA-N 445.055 6.008 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(O)cc2)[nH]c(N(CCCC)CCCC)n1 1871719607 GVORYTBNIIODGA-UHFFFAOYSA-N 442.652 5.922 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)CCCC 1871815385 BQRDGWCGQIWNPC-LJQANCHMSA-N 448.551 5.211 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)CCCC 1872302072 AMTGOCBXUIOZMX-FQEVSTJZSA-N 429.026 5.154 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1 1872497114 RXFDOMJPVDNMFY-NRFANRHFSA-N 434.989 5.023 30 10 IKEE N#C[C@H](C(=O)c1ccc(Cl)c(Cl)c1)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872760502 QEHVBDCMCCYKAB-QGZVFWFLSA-N 427.356 6.486 30 10 IKEE CC(C)c1ccccc1O[C@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872763764 UOQPNGBTWRVLGS-BEFAXECRSA-N 435.505 5.485 30 10 IKEE CN(C)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 1872778347 JKKVDDKGTZSGDH-HSZRJFAPSA-N 439.540 6.158 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(C)cc3C)n2)c2ccccc12 1872788603 MAGJQIVUDINEPJ-OAQYLSRUSA-N 442.540 5.844 30 10 IKEE CCCCCCCCNC1=C(c2cccc(OC)c2)C(=O)N(Cc2cc(C)ccc2C)C1=O 1873048468 WZGIXZRXGBCSIV-UHFFFAOYSA-N 448.607 5.542 30 10 IKEE CCCCCCCCCCNC1=C(c2cccnc2)C(=O)N(Cc2ccccc2OC)C1=O 1873076574 BHUHUURWUGPGKT-UHFFFAOYSA-N 449.595 5.101 30 10 IKEE N#Cc1cccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)C23CCCCC3)c1 1873866904 NGHCAISYAMDAGP-XMMPIXPASA-N 427.548 5.382 30 10 IKEE CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1c[nH]c2ccccc12 1874202490 FCOLPENAETVUFF-JFLMPSFJSA-N 447.608 5.939 30 10 IKEE CCCCOc1ccc(/C=N/n2c(COc3ccc(C)c(C)c3)nnc2SCC)cc1 1874319367 NELPUVXPCMXVEH-PCLIKHOPSA-N 438.597 5.647 30 10 IKEE Cc1cccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2)c1C 1874323325 JNLZJIKFMHYDNI-WGOQTCKBSA-N 428.561 5.648 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(O)cc1 1874361724 RXMNGYNKQUGFEV-JVWAILMASA-N 446.551 5.391 30 10 IKEE CCSc1nnc(Cc2cccs2)n1/N=C/c1ccc(OCc2ccccc2C)cc1 1874412505 HGBMEYUZCMZMPP-PCLIKHOPSA-N 448.617 5.812 30 10 IKEE Cc1ccccc1/C=N/n1c(Cc2cccs2)nnc1SCc1cccc(Cl)c1 1874414480 UYUXXGDVYJWCPG-ZVHZXABRSA-N 439.009 6.067 30 10 IKEE C(=N/n1c(SCc2cccc3ccccc23)nnc1-c1cccs1)\c1cccs1 1874423905 LFEKHWRWRPVMLB-OEAKJJBVSA-N 432.599 6.396 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CCCC2)c1 1874455941 RNNSCQWGCWVSPN-ZVHZXABRSA-N 426.973 5.772 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2-c2ccco2)cc1OC 1874465461 KLMSMJXYGBLXJI-MFKUBSTISA-N 448.548 5.428 30 10 IKEE CC(C)Cc1nnc(SCc2ccccc2F)n1/N=C/c1ccc(Br)cc1 1874489863 OSJYCZSEABLFSE-FSJBWODESA-N 447.377 5.553 30 10 IKEE CC(C)Cc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccccc1Cl 1874490729 HPBOJYMJIOBHTK-CVKSISIWSA-N 434.996 6.458 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874508871 ZNKHOJOUQPRSCC-BUVRLJJBSA-N 431.521 5.467 30 10 IKEE Cc1ccccc1CSc1nnc(C(C)C)n1/N=C/c1cc(Br)ccc1O 1874510749 YPFRKLRHHGCVJZ-SSDVNMTOSA-N 445.386 5.353 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2cccc3ccccc23)c1 1874511676 JUQGHQSFKWAVAH-CVKSISIWSA-N 443.576 5.476 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2c(Cl)cccc2Cl)cc1 1874572391 KXIQCCMGKHUNMI-CCEZHUSRSA-N 441.354 7.040 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCC(=O)NCCC)cc1 1874573722 BVBCAGDNXBVQAL-OUKQBFOZSA-N 443.971 5.492 30 10 IKEE Cc1ccc(C(=O)/C=C/c2c(OCC(=O)Nc3ccccc3F)ccc3ccccc23)cc1 1874579543 UKUIDBBOBDMEEC-FOCLMDBBSA-N 439.486 6.201 30 10 IKEE C=CCOc1ccc(Br)cc1/C=C/C(=O)c1cc(OC)c(Cl)cc1OC 1874587686 ZCEIOCRTUIWANM-FNORWQNLSA-N 437.717 5.581 30 10 IKEE COc1cccc(/C=C/C(=O)c2c(C)cc(C)cc2C)c1OCC(=O)Nc1ccccc1F 1874589776 CFJLGERDAFCQTI-OUKQBFOZSA-N 447.506 5.673 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1)Nc1ccc(F)cc1 1874616137 ZPWBWJOKYINQFH-KGVSQERTSA-N 444.289 6.046 30 10 IKEE O=C(/C=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)c1cccc2ccccc12 1874623419 BRYUEVBOTOQEBE-DTQAZKPQSA-N 433.334 7.622 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OCc1ccccc1C 1874627387 QJJUXNTYAFSFKK-ACCUITESSA-N 444.571 6.919 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(OC)c1OCCc1ccccc1 1874634958 BJULCUSIDXQRFP-BUHFOSPRSA-N 440.583 6.867 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(F)c(F)c2)c1)c1ccc(-c2ccccc2)cc1 1874693257 WAIZVMKEBBGXSR-CXUHLZMHSA-N 440.445 6.747 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2)cc1OC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl 1874700433 SIERKQKETRZVFT-NGSBPTJYSA-N 432.903 5.954 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3cc(C)ccc3C)c2)cc1 1874700519 XRJLNDXZNNFIIZ-RIYZIHGNSA-N 444.527 5.755 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCc3ccccc3OC)c2)cc1 1874701116 BZDOMPRNGXKLRE-GZTJUZNOSA-N 430.500 5.528 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)c2sccc2C)c1 1874712379 VUPBYVFNUACKSH-VOTSOKGWSA-N 447.339 6.487 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1OC(=O)c1cnccn1 1874715676 GQTFFBGCZOYZJN-JXMROGBWSA-N 430.504 5.206 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccccc3)c2)cc1Cl 1874715874 PUBNKLBOJRSMSE-ZHACJKMWSA-N 441.310 6.046 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)COc3ccc(Cl)cc3)c2)c(C)c1 1874716475 UIUSNMBCIJAJRE-KPKJPENVSA-N 434.919 6.146 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1OC 1875103819 QQEGNHBMUUKHHY-JLHYYAGUSA-N 426.509 5.484 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OCC)cc3)cc2)cc1 1875105873 QJCWMGGFHAPTBT-RGVLZGJSSA-N 428.528 6.543 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3ccccc3C)c(OC)c2)cc1 1875113112 WXFOTHYVFVRWDP-MDWZMJQESA-N 436.891 5.781 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)cc(Cl)c1OC(=O)c1ccco1 1875119455 VRBDSYRUZKXWJO-ZHACJKMWSA-N 426.852 5.456 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)c([N+](=O)[O-])c1)c1ccccc1 1875127336 ZOTRWDIECRTBBP-COTUQKQKSA-N 447.874 5.853 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)COc3ccccc3)c([N+](=O)[O-])c2)c1 1875139711 WNHFYJMTJIVMSA-ZRDIBKRKSA-N 431.444 5.092 30 10 IKEE O=C(Cc1cccs1)Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1[N+](=O)[O-] 1875154962 GFCPTLXUTHARFG-ZRDIBKRKSA-N 443.480 5.854 30 10 IKEE CCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OC 1875157098 STCYRIVGZQXWOT-IZZDOVSWSA-N 431.326 5.793 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])cc1 1875159948 SKLVFAMAOCPTRZ-LNKIKWGQSA-N 447.462 6.147 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C2CCC2)c(Cl)c1)c1ccc(Oc2ccccc2)cc1 1875165709 VEBJNZMOJQJXCW-OQLLNIDSSA-N 432.903 6.734 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccccc2C)c([N+](=O)[O-])c1 1875170891 UYTIWBLRZMRKBL-PKNBQFBNSA-N 445.471 5.644 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)Cc1ccccc1 1875171003 AGXVDPGQUMAFLW-ACCUITESSA-N 444.527 5.755 30 10 IKEE N#C[C@@]1([C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C[C@H]2CC[C@H]1O2 1875689761 LMGPPJOLCFWZEI-BVCVKUKASA-N 441.527 5.339 30 10 IKEE C[C@@H](C#N)c1cccc(C(=O)N[C@H]2CCc3nc4ncc(-c5ccccc5)cc4cc3C2)c1 1890871078 IAQMHOQOKJLUJB-BVZFJXPGSA-N 432.527 5.211 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cccnc3Oc3ccccc3)ccc21 1890945421 BIBRYAPREYFMQQ-UHFFFAOYSA-N 443.503 5.064 30 10 IKEE N#Cc1ccc(F)c(C(=O)N2CCC(c3ccc4cc(-c5ccccc5)cnc4n3)CC2)c1 1891463754 GXEDCCCQXMKPPX-UHFFFAOYSA-N 436.490 5.327 30 10 IKEE C=CCC1(Oc2cc(C)c(N)cc2Br)CCN(C(=O)OC(C)(C)C)CC1 1903015835 ZVUFTNWZJKCWQD-UHFFFAOYSA-N 425.367 5.064 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCC1 1924940827 LBAGYYWZEOAYCZ-XDHUDOTRSA-N 433.593 5.143 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@]1(C#N)CCC(C)(C)C[C@@H]1CNC(=O)OC(C)(C)C 1927164488 GWDKOKFPJVJHFV-KOSHJBKYSA-N 437.625 5.493 30 10 IKEE COc1cccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)c1Br 1927306954 VWSBZYKKHYVZIT-INIZCTEOSA-N 435.293 5.603 30 10 IKEE C[C@@H]1CN(Cc2ccccc2)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1949311721 FRCHDYKTXZUJBY-CLOONOSVSA-N 439.987 5.886 30 10 IKEE COc1cc(Br)ccc1[C@@H](C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1954862783 RFRDXRUEHTTYRE-GOSISDBHSA-N 431.330 5.460 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]1(C)[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1999895393 AZCAWXAPMFAEFW-GOTSBHOMSA-N 449.979 5.763 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@@]12CC[C@@H]1CN(C(=O)OC(C)(C)C)C2)NCCC 2026367958 YLPYHOVAFCNZQN-MVERNJQCSA-N 428.617 5.165 30 10 IKEE C=C(c1ccccc1)[C@@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 2076576037 FURIXYGDFYRVPH-LOSJGSFVSA-N 438.612 5.568 30 10 IKEE CCc1ccc([C@@H](C2CCC2)n2nc(C3(C)CC3)c(C#N)c2I)cc1 2079089723 GOSBADCFRJXRPQ-GOSISDBHSA-N 445.348 5.363 30 10 IKEE CC[C@@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)(F)F)c(C=O)c1Br 2079958442 VFMKJYSGTBLTMB-NSHDSACASA-N 447.148 5.634 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1Nc1cc(Br)cc(F)c1C#N 2107451551 PQTSVVGWABOBST-JKSUJKDBSA-N 426.330 5.098 30 10 IKEE C=CCC1([C@@H](NC)c2c(Cl)ccc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2122138821 HKMMAJSKXUCKGY-INIZCTEOSA-N 447.776 5.315 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cccc(Br)c1C 2138851574 LARMGLLBJVGJQU-RBUKOAKNSA-N 425.411 5.658 30 10 IKEE CC(C)(C)OC(=O)N1[C@@H](CNc2ccc(C#N)c(Br)c2F)CCC12CCC2 2233909576 ZSFWVSGTARNAAM-CQSZACIVSA-N 438.341 5.194 30 10 IKEE CCN[C@H](C#Cc1ccccc1Cl)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2252759715 UNARPWYSOFKSJC-QHCPKHFHSA-N 441.015 5.887 30 10 IKEE C=CCCC1(C(=O)c2cc(F)c(Br)c(F)c2)CN(C(=O)OC(C)(C)C)C1 2266236218 RHRQQUXVKDIBNS-UHFFFAOYSA-N 430.289 5.113 30 10 IKEE C=CCCC1([C@H](O)c2c(Cl)ccc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2266314645 GJIAYYRPDUWNRJ-MRXNPFEDSA-N 448.760 5.478 30 10 IKEE C=C(C)CC[C@@H](NCCC)[C@](C)(O)c1cc(Br)c(Br)s1 2281226841 UIMYSFIWWYDGPM-DOMZBBRYSA-N 425.230 5.205 30 10 IKEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)CC1CCCCC1 2282128969 SFMJQAUYCCVXJQ-UHFFFAOYSA-N 447.428 5.517 30 10 IKEE O=C1NC(=Nc2ccc(F)cc2)SC1=Cc1cccn1-c1ccc(Br)cc1 2293296220 XLWSKUBLWXTHOA-UHFFFAOYSA-N 442.313 5.271 30 10 IKEE CN[C@H](C#Cc1ccccc1Cl)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2295223575 DLFOCDRLXIVZEM-LJQANCHMSA-N 449.776 5.762 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)C(=C(O)c4ccc(C)o4)[C@H]3c3ccccc3)sc2c1 2296594458 DRSYIQCDSLXEDX-OAQYLSRUSA-N 444.512 5.386 30 10 IKEE CCN1C(=O)C(=C2Sc3ccc(OC)cc3N2CC)SC1=Nc1ccc(Cl)cc1 2297604701 BAANWNOMPLSDIT-UHFFFAOYSA-N 445.997 5.733 30 10 IKEE Cc1ccc(Sc2ccc(C=C3SC(=Nc4cccc(Cl)c4C)NC3=O)o2)cc1 2313560595 YYANKMWMRUVPMF-UHFFFAOYSA-N 440.977 6.593 30 10 IKEE C=CCOc1ccc([C@@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1 2314477055 AKIOCRPXDFDKCH-RUZDIDTESA-N 441.483 5.023 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2319203503 KBPFZOFTAZZCRE-VAMGGRTRSA-N 447.551 5.543 30 10 IKEE N#Cc1nc([C@H]2C[C@H]2c2ccccc2)oc1NN=Cc1cccc(OC(=O)c2ccco2)c1 2320837071 KBGCGPXOSPDZFP-PMACEKPBSA-N 438.443 5.076 30 10 IKEE COc1ccc(C=C2Oc3c(ccc4c3CN(Cc3ccccc3Cl)CO4)C2=O)cc1 2321958280 BHFQMTFDYPARNP-UHFFFAOYSA-N 433.891 5.317 30 10 IKEE COc1cccc(C=Nn2c(S)nnc2[C@H](C)c2ccccc2)c1OCc1ccccc1 2321962047 CLYZCWOVSMCHKH-GOSISDBHSA-N 444.560 5.188 30 10 IKEE CCCCC[C@@H](CC)N1COc2ccc3c(c2C1)OC(=Cc1ccc(C(=O)OC)cc1)C3=O 2322072025 SFUZMSVQTYROBV-HXUWFJFHSA-N 449.547 5.600 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1 2322399254 WGNHEGCASSWTSO-UHFFFAOYSA-N 439.382 7.811 30 10 IKEE COC(=O)c1ccc(COc2ccc(Cl)cc2C=CC(=O)c2ccc([N+](=O)[O-])cc2)o1 2322474780 USJNYYXWBIGDRT-UHFFFAOYSA-N 441.823 5.103 30 10 IKEE O=C(C=Cc1c(OCCc2ccccc2)ccc2ccccc12)c1ccc(Cl)c(Cl)c1 2322583041 TYKWDSSNPKREBX-UHFFFAOYSA-N 447.361 7.664 30 10 IKEE Cc1cc(C(=O)C=Cc2cc(Br)ccc2OCc2ccc(F)cc2)ccc1F 2322627655 YDCABOJJLIRXNF-UHFFFAOYSA-N 443.287 6.511 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(F)c(C)c2)c1OCc1ccccc1Cl 2322634575 KQLBOIYKDACDLN-UHFFFAOYSA-N 445.317 6.925 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc(C)cc4)c3C)C2=O)cc1 2322680056 ADKIGKMGVAIDHF-UHFFFAOYSA-N 441.527 5.985 30 10 IKEE CC(C)COC(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccc(C(C)(C)C)cc1 2322684214 BHQPCEZPQUGLGE-UHFFFAOYSA-N 444.571 6.611 30 10 IKEE COc1cccc(C=CC(=O)c2cccc3ccccc23)c1OCc1ccc(Cl)cc1 2322724839 ZUDSSSRSYFFIJX-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE CCCOc1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2)C3=O)cc1 2323460677 VKBDTGSERLKLMC-UHFFFAOYSA-N 440.495 6.019 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(OC)c2)cc(OC)c1OCc1ccc(Cl)cc1 2323504026 FHFWCNGXYAKXPI-UHFFFAOYSA-N 448.946 6.561 30 10 IKEE Cc1cc(OC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1cccnc1)O2 2323710467 SBRNSGKXWDDFJW-UHFFFAOYSA-N 449.890 5.423 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1C 2323890080 ATWUIEXALKYRAM-UHFFFAOYSA-N 441.354 7.176 30 10 IKEE Cc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1cccc(Cl)c1)C2=O 2324406411 RJIZYSYNSPBIMW-INIZCTEOSA-N 433.891 5.671 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1C 2324441969 ZCARKLVGANFEEW-UHFFFAOYSA-N 445.773 7.739 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1 2324475189 DCKFHKFRROIUIA-MRXNPFEDSA-N 447.918 5.925 30 10 IKEE CCOc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccco2)C3=O)cc1 2324521623 ANAVUIBZQPHBFE-MRXNPFEDSA-N 433.460 5.009 30 10 IKEE Cc1c(OCc2ccccc2C#N)ccc2c1OC(=Cc1cccc(Br)c1)C2=O 2325357783 OAKIWKRLKKIMDF-UHFFFAOYSA-N 446.300 5.824 30 10 IKEE Cc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccc(C)cc2)cc1 2325437613 BXEVCQHEEMFUMW-UHFFFAOYSA-N 426.589 5.855 30 10 IKEE COc1cccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)c1 2325575241 XIDDFRLORQYURU-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE O=C(C=Cc1cccc(OC(=O)[C@@H](Cc2ccccc2)c2ccccc2)c1)c1ccccc1 2325733262 XLRGYDRUELCMNB-NDEPHWFRSA-N 432.519 6.515 30 10 IKEE Cc1nnc(SCc2cccc3ccccc23)n1N=Cc1cccc(Cl)c1Cl 2326637389 IJOWWDCGKTTWBY-UHFFFAOYSA-N 427.360 6.221 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1cn(C)c2ccccc12 2327205343 KQDNVVMZPJUGGY-UHFFFAOYSA-N 445.592 5.250 30 10 IKEE CCCSc1nnc(COc2ccc(OC)cc2)n1N=Cc1cccc2ccccc12 2328403786 RNCWAUJUKPJEEH-UHFFFAOYSA-N 432.549 5.403 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2ccccc2)n1N=Cc1cccnc1 2328557211 UBJMZGQUTXDNES-UHFFFAOYSA-N 429.549 5.043 30 10 IKEE CCOc1cc(C=NNc2ccc3c(=N)[nH][nH]c3c2)ccc1OCc1ccc(Cl)cc1 2328801526 OIYGNBXGZAVYBZ-UHFFFAOYSA-N 435.915 5.053 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3F)n2N=Cc2ccc[nH]2)cc1C 2328945714 BUSGENSQBCSQKJ-UHFFFAOYSA-N 433.556 5.322 30 10 IKEE N#Cc1cccc(C(=O)Oc2cccc3c(NC(=O)C=Cc4ccc(F)cc4)cccc23)c1 2329639411 OPKNFJQWAKVUOO-UHFFFAOYSA-N 436.442 5.722 30 10 IKEE CCCOC(=O)CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1ccccc1Cl 2330149552 RTPUAEARHACXGS-MRXNPFEDSA-N 442.972 5.011 30 10 IKEE C=C(C)CSc1nnc(CC2CCCCC2)n1N=Cc1cccc(Br)c1 2330269884 NKKHBTMXEBZLPM-UHFFFAOYSA-N 433.419 5.714 30 10 IKEE C[C@H]1Oc2ccc(C(=NOC(c3ccccc3)c3ccccc3)C3CC3)cc2N(C)C1=O 2330339368 QPWCJBMJHVVHNP-GOSISDBHSA-N 426.516 5.351 30 10 IKEE CCCOc1ccc(C=Nn2c(Cc3cccs3)nnc2SCC)cc1OCC 2330368342 PEJLZOVYVOKUOU-UHFFFAOYSA-N 430.599 5.112 30 10 IKEE Clc1cccc(CSc2nnc(Cc3cccs3)n2N=Cc2ccccn2)c1 2330440346 PIKFSRSQIXZUES-UHFFFAOYSA-N 425.970 5.153 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1sccc1C 2330642750 QOZNGPXTZAFKLP-UHFFFAOYSA-N 437.473 5.479 30 10 IKEE Oc1ccc(Cl)cc1C=Nn1c(SCc2cccc(F)c2)nnc1-c1ccccc1 2330653488 HTLOHZCILNFPMZ-UHFFFAOYSA-N 438.915 5.618 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2ccc(F)cc2)cc1 2330653495 IFULIBYXLSRDMB-UHFFFAOYSA-N 433.468 5.167 30 10 IKEE CC(C)(C)C(=O)Oc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1Br 2330663938 MXTOHULZJDYHJU-UHFFFAOYSA-N 437.333 6.450 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OC(=O)C1CCC1 2330821884 UGJWCDBEBGTZNG-UHFFFAOYSA-N 445.342 6.332 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3ccc(C)cc3)nnc2[C@@H]2CCCO2)c1 2330888700 LMTFZFYYHCDOCJ-QFIPXVFZSA-N 436.581 5.401 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)cc(Cl)c1OC(=O)c1ccccc1 2330972112 HURPIDIRXQTQGV-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE Clc1ccc(C=Nn2c(SCc3ccccc3)nnc2C2CCCC2)c(Cl)c1 2331069658 IVLCVXQUXYXWOD-UHFFFAOYSA-N 431.392 6.417 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2[nH]c3ccc(C)cc3c2C)cc1 2331352339 KANDKJSZECYEBG-UHFFFAOYSA-N 439.511 6.217 30 10 IKEE Cc1ccc(C=Nn2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2C(C)(C)C)cc1 2331364769 ZAERSDDCLMBXOA-UHFFFAOYSA-N 435.597 5.114 30 10 IKEE O=[N+]([O-])c1cccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CCC2)c1 2331535594 YISYEGIOGHPLRL-UHFFFAOYSA-N 443.532 5.782 30 10 IKEE COc1ccccc1C=Nn1c(SCc2ccc(Cl)cc2Cl)nnc1C1CCC1 2331543383 JTNPSDDYABMBIY-UHFFFAOYSA-N 447.391 6.036 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccc(Cl)cc3)cc2)c(C)c1C 2331612324 GXOLWZBFTLQUIS-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)CCCSC 2331632453 UCSBSGXSSZDMRK-UHFFFAOYSA-N 428.550 5.265 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(C)c(C)c2)cc1OC 2331704374 GLJYFAZJQSQMAX-UHFFFAOYSA-N 428.956 6.737 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccco3)c([N+](=O)[O-])c2)c2ccccc12 2331869479 PIBBYGNGIYINAL-UHFFFAOYSA-N 443.411 5.465 30 10 IKEE CC[C@H](C)[C@H](CNC(=O)OC(C)(C)C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339597195 PEOIDQOZOYWGHY-HKUYNNGSSA-N 446.397 5.044 30 10 IKEE C=CCC(CC=C)[C@@H](NCCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2364040324 GKBLHQVJSTZHOX-HXUWFJFHSA-N 437.422 6.605 30 10 IKEE C[C@@H]1CC[C@]2(/N=C/c3ccccc3O)Oc3ccccc3[C@@H](/N=C/c3ccccc3O)[C@@H]2C1 16608751 OWYKDRRRWCDWCE-IWZHXCQNSA-N 440.543 5.902 30 10 IKEE COc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccccc1Cl)C2 21235051 BKEBLJRBVZHDQU-DXPJPUQTSA-N 430.935 6.328 30 10 IKEE Cc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3F)C(C#N)(C#N)[C@H]3c4ccccc4C=CN23)cc1 36020225 LATHMBIBTZXTOU-OHSXHVKISA-N 433.486 5.544 30 10 IKEE C=CCN(CC=C)c1nc(Cl)nc2sc(C(=O)OCCc3ccccc3)c(C)c12 36308286 WIMRCZCEEDJXKY-UHFFFAOYSA-N 427.957 5.231 30 10 IKEE C=C(Br)Cn1c([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)nc2ccccc21 38585896 DFMPPJGTKQBWFU-CQSZACIVSA-N 430.733 5.119 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)c4cc(OC)cc(OC)c4)ccc3C2=O)cc1 41292947 CEQIFBSCMPUICR-MYKKPKGFSA-N 430.456 5.102 30 10 IKEE O=C1/C(=C/c2ccc(-c3ccccc3)cc2)Oc2c1ccc1c2CN(Cc2ccco2)CO1 41660932 HPBPRPPFMWIXDV-YSMPRRRNSA-N 435.479 5.915 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)CNCc1ccc(OC(C)C)cc1 100116909 UJNITUFJZWDOQB-UHFFFAOYSA-N 446.720 7.161 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)COc1ccc([C@H](C)CC)cc1 100172079 QCKPFEAHLRXWEJ-RUZDIDTESA-N 431.705 8.176 30 10 IKEE N#CC(C#N)[C@@H](/C(Sc1ccc([N+](=O)[O-])cc1)=C(\O)c1ccccc1)c1cccs1 100636971 WLVAMRSUUDISIA-SQYHMDOVSA-N 433.514 6.122 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(NCc2ccccc2)c1N 101509637 GAZNKMDXUNMYEY-UHFFFAOYSA-N 439.692 7.564 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\n2cnnc2S)cc1Br 169909015 AJOSXYIJEZWKHU-BKUYFWCQSA-N 425.396 5.341 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 169925332 GSEWYVYFFUZDST-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE CCOc1ccc(/C=N\Nc2nc(-c3ccccc3OC)cs2)cc1Br 169942311 NNUYWOMPMCUMNN-NHDPSOOVSA-N 432.343 5.426 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@@H]2c2cccs2)c1 169987033 PEXQSKAFFCGVRG-HXUWFJFHSA-N 439.920 5.501 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1cccnc1 170005919 AYIWAMQZWQYLHH-JOCHJYFZSA-N 443.890 5.308 30 10 IKEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccncc2)cc1 170015459 RWQLPXSVQSNCCW-RUZDIDTESA-N 449.510 5.084 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2cccc(O)c2)c(C)c1 170080541 QLJLHCWCQZZUBY-DEOSSOPVSA-N 443.499 5.109 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCCC)c2)[C@@H]1c1cccc(OC)c1 170120978 TWQALKNGACOEIJ-QHCPKHFHSA-N 437.536 5.253 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccc(C)c2)cc1 170141723 RFXLLXNYGGFGBI-XMMPIXPASA-N 427.500 5.567 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCCOC(C)C)c1 170148169 PYESWAMMXKVSAI-NRFANRHFSA-N 427.928 5.042 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccs2)cc1C 170154498 YRTYOEUZBZTFRF-FQEVSTJZSA-N 439.558 5.214 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccs2)c(OCC)c1 170166543 QTNKQQAWZDLSJJ-NRFANRHFSA-N 441.549 5.066 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1ccncc1)c1ccc2c(c1)CCCC2 170206604 PIIKWUWMTADKPJ-HSZRJFAPSA-N 446.453 5.022 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccccc2)cc1C 170227001 ZNPMKWWJCSNHPO-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccc(F)cc2)c(C)c1 170240078 YFHPCNZKOQEMDM-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2cccc(C)c2C)o1 170302544 NJKDIMVHYPOFHB-VWLOTQADSA-N 437.495 6.141 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2ccc(F)cc2F)o1 170305851 ZMNKSNHCEBQJDN-HSZRJFAPSA-N 445.421 5.802 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@H]1c1c(C)[nH]c2ccccc12 170312348 OYGDDKRNNFDZKW-HSZRJFAPSA-N 432.520 5.172 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C(C)(C)C)cc2)c1 170329878 YWHDTQLPJZGAPI-JOCHJYFZSA-N 431.488 5.369 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(O)c(Cl)c2)cc1C 170368258 QWPPCHUVSWFNFI-JOCHJYFZSA-N 433.891 5.445 30 10 IKEE N#Cc1ccc(Oc2ccc(Br)cc2Br)c(Br)c1 213858848 VFKJFCCZGCQDNC-UHFFFAOYSA-N 431.909 5.638 30 10 IKEE C=CCn1c(S[C@H](C)C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)nnc1-c1ccc(Cl)cc1 251558416 MCUVABNDLBQYEC-LAFLPAGMSA-N 445.032 5.206 30 10 IKEE C=CCNC(=S)NN=Cc1cn(CCOc2ccc(C(C)(C)C)cc2)c2ccccc12 254307925 OVSHEMLXHIQVNM-UHFFFAOYSA-N 434.609 5.002 30 10 IKEE CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 256606800 XQIVDOSRZQSWFL-XFBLKTLHSA-N 438.696 7.556 30 10 IKEE biogenic CC(C)(C)OC(=O)N1CCc2cccc(CNc3ccc(C#N)cc3Br)c21 312146956 ARBMIYSKFAJZBF-UHFFFAOYSA-N 428.330 5.230 30 10 IKEE NC(=NO)c1ccc(Oc2ccc(OCc3ccccc3)cc2)c(F)c1Br 312183749 FNJMTRJLCJZUMD-UHFFFAOYSA-N 431.261 5.054 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)cc1Cl)NCC 406117985 BQGYQRBVYJUGNM-ZWKOTPCHSA-N 445.829 5.483 30 10 IKEE Cc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(OCC(C)C)cc2)cc1 526520015 DFUNIEITCTVWAT-AREMUKBSSA-N 438.527 5.959 30 10 IKEE COc1cc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccccc2C)cc(Cl)c1O 526773157 OYPZJCUNAZOYJT-OAQYLSRUSA-N 449.890 5.146 30 10 IKEE COc1cccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccccc2F)c1 526803926 WLNQWECYIWFNPM-QQXSKIMKSA-N 432.524 5.191 30 10 IKEE CC(C)Oc1cccc(/C=N\n2cnnc2SCc2ccc(Br)cc2)c1 526820149 WDOONCLUHJCMMG-JJFYIABZSA-N 431.359 5.002 30 10 IKEE CCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1c(Cl)cccc1Cl 526822525 KMXBICURXNYDRA-MSXFZWOLSA-N 430.364 5.584 30 10 IKEE N#Cc1ccc(C(=O)N(Cc2cccnc2)c2nc3c(C(F)(F)F)cccc3s2)cc1 585166767 WWSDPOBXYPMVLL-UHFFFAOYSA-N 438.434 5.429 30 10 IKEE CC/N=C1/C[C@@H]2Oc3cc(NCC)c(C)cc3[C@H](c3ccccc3C(=O)OCC)[C@@H]2C[C@H]1C 585663611 YLTLQPNBMWEMHP-YDEHXTGDSA-N 448.607 6.003 30 10 IKEE C=C1CCC(CNc2c(Br)cc(Br)cc2Br)CC1 724549017 KNNMSSQOSONBFS-UHFFFAOYSA-N 438.001 6.132 30 10 IKEE CCCCCCCCCCCCN1C(=O)[C@@H]2c3cc4c(cc3C[C@@H](C)[C@H]2C1=O)OCO4 1616046655 NHUYNJGLBWETBM-DQMJNTIXSA-N 427.585 5.597 30 10 IKEE CCCCCCCCN1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S 1858587336 WRSKBOQOEOOMNF-PTGBLXJZSA-N 439.646 6.827 30 10 IKEE CCCOc1ccc(/C=N/NC(=S)NC2CCCCCCCCCCC2)cc1OC 1860499493 OJAFUOIFWBSSPQ-NCELDCMTSA-N 433.662 5.955 30 10 IKEE Cc1ccc2nc(-c3ccc(NC(=O)C(=O)/C=C/c4ccc(Cl)cc4)cc3)sc2c1 1860723644 RMQNPPXQMFBJMB-WLRTZDKTSA-N 432.932 6.146 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(Cl)c(Cl)c1 1862386021 DEJOKESNTKEFJD-MRXNPFEDSA-N 445.129 5.898 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(C)cc2)cc1C 1862400518 GQSPQTPWCCAIBN-DEOSSOPVSA-N 433.548 5.613 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(C(F)(F)F)cc1 1862416043 JYVXCOBZFRBORP-ZMZPIMSZSA-N 439.380 5.360 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(C(C)(C)C)cc1 1862435574 ZCKPZCJZJAMUKY-JOCHJYFZSA-N 439.983 6.406 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@@H]1c1ccccc1)c1cccc(Cl)c1 1862441144 ACQRDJLDTMIGIJ-HSZRJFAPSA-N 431.919 5.551 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2C2CC2)cc1 1862461312 BYEBBNSYLBPPOO-FQEVSTJZSA-N 429.438 5.142 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C34CC5CC(CC(C5)C3)C4)[C@@H]2c2ccccc2C)cc1 1862475363 KBEODLKRPLVRCA-MMBGETBOSA-N 441.571 5.851 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCCCC2)ccc1O 1862480027 VZRNZUYWFZACJT-XMMPIXPASA-N 449.547 5.400 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@@H]2c2ccc(F)cc2)c1 1862490116 NYCMLCCZNWNONB-HSZRJFAPSA-N 449.909 5.874 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(OC)c(O)c1 1862492325 OUIBFZKUWLQLTK-QHCPKHFHSA-N 437.536 5.176 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862507651 QIMGOZINWTYJLT-UUOWRZLLSA-N 429.491 5.782 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)cc1 1862528977 AOSFEQYOUVTLJQ-XMMPIXPASA-N 447.481 5.348 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(N(C)C)cc1 1862558976 DYCFGNNFVVAVEN-QPPBQGQZSA-N 449.595 5.272 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1cccc(C)c1 1862576351 SNFCTWKCHQDXHS-QHCPKHFHSA-N 437.536 5.171 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C2CC2)c1 1862582906 PBIAZOIXIUGDJQ-IBGZPJMESA-N 432.303 5.133 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(C(C)C)cc1 1862614544 DKUUUYCXPUNVIP-RUZDIDTESA-N 447.619 6.732 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 1862618438 DGGKNZQAUVMWAT-QVKFZJNVSA-N 436.508 5.269 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)OCO3)=C(O)C(=O)N1C1CCCCCC1 1862625575 KADUJIMTFUCVES-QHCPKHFHSA-N 433.504 5.025 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccccc2Cl)c1 1862700263 CCJHXUSQMVPLEB-QFIPXVFZSA-N 433.891 5.127 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(Cl)cc1Cl 1862706247 RJAXRDCFAMSJMR-BUXKBTBVSA-N 434.319 5.379 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1Cl)c1ccc2ccccc2c1 1862711915 FTDKALAVUIQRDQ-XMMPIXPASA-N 445.946 6.404 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1Cl 1862751686 OUBJWXXMYZVTNH-IBGZPJMESA-N 428.872 5.017 30 10 IKEE Cc1ccccc1N1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(OC(C)C)cc2)C1=O 1862990309 MGMWJPPMYQRFOE-UHFFFAOYSA-N 437.499 5.051 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cc(C)ccc2C)=C(c2ccc(C)cc2)C1=O 1863262311 WMQLFXAEJVKYSK-UHFFFAOYSA-N 446.635 6.945 30 10 IKEE C=CCOc1ccccc1/C=C1\C(=O)N(c2cccc3ccccc23)N=C1c1ccccc1 1865666425 KMFPLZYUIYXFSD-QQTULTPQSA-N 430.507 6.239 30 10 IKEE CCCC[C@H](NC(=O)[C@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866964473 WAVSOCMBPPXAHI-DQEYMECFSA-N 433.596 5.735 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3cc(OC)ccc3[C@@H]2C)nc(-c2ccc(C)cc2)n1 1869163279 FPUFPKJCWBCCRP-NRFANRHFSA-N 440.591 5.763 30 10 IKEE CCCCCCCCn1cc(OCC(=O)NCCC)c(=O)cc1CSc1ccccc1 1870189599 GBBXQTLNJJDNNJ-UHFFFAOYSA-N 444.641 5.406 30 10 IKEE CCCCCCCCCCn1cc(OCC(C)C)c(=O)cc1CSc1ccccc1 1870259263 OPTMQXNKXLHUEG-UHFFFAOYSA-N 429.670 7.316 30 10 IKEE C#CCOc1cn(CCCCCCCCCC)c(CN(CCCC)CCCC)cc1=O 1870563923 UAEHIAKDROKABD-UHFFFAOYSA-N 430.677 6.403 30 10 IKEE C=CCOc1cn(CCc2c[nH]c3ccccc23)c(CNc2cc(Cl)ccc2C)cc1=O 1870808710 ADAPDUXHRODZBH-UHFFFAOYSA-N 447.966 5.711 30 10 IKEE CCCCCCCOc1cn(CCCC)c(CNc2ccc(CCCC)cc2)cc1=O 1870832050 ODEXPJSKMFELGT-UHFFFAOYSA-N 426.645 6.952 30 10 IKEE CCCCCCCCn1cc(OCCC(=O)OCC)c(=O)cc1CNc1cccc(F)c1 1870878675 ZSSXZKPAASCMCL-UHFFFAOYSA-N 446.563 5.292 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 1871402035 CNIVJSBBNKUSCB-PDESAOGPSA-N 445.490 5.719 30 10 IKEE Cc1ccc(OCCCCOc2ccc3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)cc1 1871406283 ZZPZQTHVAJFZTC-XYGWBWBKSA-N 445.471 5.757 30 10 IKEE CCc1cccc(CC)c1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(C)o1)C2=O 1871408010 ORFALNGTCIFBMD-HZRSJKMUSA-N 445.515 5.735 30 10 IKEE CCN(CC)CCOc1cc(C)c2c(c1)O/C(=C\c1cn(CC)c3ccc(OC)cc13)C2=O 1871451689 IIIBCALHHANSJV-QFEZKATASA-N 448.563 5.315 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4cc(C)cc(C)c4)c3C)C2=O)cc1 1871454096 HMWCIFPRMXJBKG-OYKKKHCWSA-N 427.500 5.554 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc(OCC(=O)Nc3ccc(F)cc3)c2C)C1=O 1871456416 DAZJHWFGLYENCS-UCQKPKSFSA-N 447.462 5.167 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O)Nc1ccccc1F 1871459927 LJVJENXSZCCGJP-NHDPSOOVSA-N 441.817 5.252 30 10 IKEE CCCCCCCCCCN=c1nc(N2CCCCC2)[nH]c(=Nc2ccc3cc[nH]c3c2)[nH]1 1871588986 CUQYCJHLAMTAME-UHFFFAOYSA-N 449.647 5.483 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cc(C)ccc1C)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872571289 GLYCOQKPVSRAQH-HYBUGGRVSA-N 442.625 5.232 30 10 IKEE N#C[C@@H](C(=O)Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872760790 XRQWIBVPPLEIRC-SFHVURJKSA-N 441.383 6.415 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)cc3[N+](=O)[O-])n2)cc1C 1872765730 VVYKXSUGMBETRV-OAHLLOKOSA-N 427.869 5.179 30 10 IKEE CCOc1ccc(CCC(=O)[C@H](C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc1OC 1872786510 MBPAMKIJSAVKSE-FQEVSTJZSA-N 448.588 5.952 30 10 IKEE CCOC(=O)Oc1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc1 1872786733 QXPJQFGIJBZVIW-LJQANCHMSA-N 434.517 5.761 30 10 IKEE COc1ccc(OC)c(NC(=O)c2cccc(CSc3nc(C)c(C)c(C)c3C#N)c2)c1 1872893142 JLQZMWBDXYAZKR-UHFFFAOYSA-N 447.560 5.440 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@@H]2CCCC[C@@H]2C)=C(c2ccc(C)cc2)C1=O 1873143751 ZYDCUMUZJKGOLP-LADGPHEKSA-N 438.656 6.384 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C(C)=O)cc2)=C(c2ccc(F)cc2)C1=O 1873353098 VDZGGLSSEORYEV-UHFFFAOYSA-N 436.527 5.581 30 10 IKEE CCCCCCCCNc1ncnc2c1ccc(=O)n2-c1ccc(OCC)c(OCC)c1 1873538143 ZCOZLHUBQVBCIT-UHFFFAOYSA-N 438.572 5.351 30 10 IKEE C=CCn1c(C(=O)NCc2ccccn2)cc2c(N(CCCC)CCCCCC)ncnc21 1873595226 UAQFRODISQWBNO-UHFFFAOYSA-N 448.615 5.129 30 10 IKEE C=CCn1c(C(=O)Nc2cccc([N+](=O)[O-])c2)cc2c(NCCC3=CCCCC3)ncnc21 1873639434 RUANVHIOSMGLEH-UHFFFAOYSA-N 446.511 5.080 30 10 IKEE CCSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1ccc(O)cc1 1874197012 NGSUBJUOPIHPKC-KOEQRZSOSA-N 432.549 5.143 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CCc2ccc(C)c(C)c2)nnc1SCCC 1874331292 FZSYPEWSAWHUTO-NLRVBDNBSA-N 434.609 5.629 30 10 IKEE Cc1ccc(CSc2nnc(CCOc3ccccc3)n2/N=C/c2ccccc2O)cc1 1874345724 CFMKSHFWRNTWTI-YZSQISJMSA-N 444.560 5.088 30 10 IKEE Cc1cccc(CSc2nnc([C@H](C)c3ccccc3)n2/N=C/c2ccc(Cl)cc2)c1 1874393714 USYKAWJUBLBSPU-BWJYWGHISA-N 447.007 6.566 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2Cl)n1/N=C/c1ccncc1 1874395551 PDPVNWQIOYTDCU-CIRUFVMISA-N 433.968 5.653 30 10 IKEE Clc1ccc(/C=N/n2c(SCc3ccccc3)nnc2[C@H]2CCCO2)cc1Cl 1874445887 NPKONGNBFKEPPD-BYWZACNXSA-N 433.364 5.611 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2cccs2)c1 1874452617 FJTATMQYRBBKNO-YDZHTSKRSA-N 439.610 5.227 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(SCc2cccc(C)c2)nnc1C(C)(C)C 1874483921 UUIYLACVRPUYCV-JVWAILMASA-N 444.604 6.220 30 10 IKEE CCCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(OCC)c(OCC)c1 1874503380 FFRMQQFBNHTSRP-MFKUBSTISA-N 442.560 5.342 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1OCc1ccccc1C 1874570206 RVVVCPFJWWNIFS-ZHACJKMWSA-N 437.879 6.040 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(Cl)cc2)c1OCc1cc(C)ccc1C 1874577572 VAKVYMJBWIMMAD-DHZHZOJOSA-N 441.354 7.094 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OCC(=O)Nc3cc(C)cc(C)c3)c2)c1 1874596822 FCIIXNHPVGBAPZ-CSKARUKUSA-N 445.515 5.234 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cccc(OCC(=O)Nc2ccc(C)cc2)c1 1874599331 HVJVXVLGICOIGV-JLHYYAGUSA-N 429.516 5.534 30 10 IKEE Cc1ccccc1COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1[N+](=O)[O-] 1874604038 RMVPLYYCDQUYDF-GXDHUFHOSA-N 427.500 6.257 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCC)c(Br)c2)cc1OCCC 1874612748 JXTBAOUSFQTPNU-JXMROGBWSA-N 447.369 6.322 30 10 IKEE CCCOc1c(Br)cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1OC 1874615692 LJASTTOEYSCKSS-QPJJXVBHSA-N 444.152 6.449 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OC 1874625761 VBDHBLHPURBIPL-RIYZIHGNSA-N 433.479 5.310 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OCc3ccccc3C)c(OC)c2)c1 1874630196 PPGLZLXWKGUKMR-SDNWHVSQSA-N 446.543 6.276 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)ccc1OCc1ccc(F)cc1 1874636039 GLCFRXATKATLRN-IZZDOVSWSA-N 440.898 6.362 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC(=O)C(c3ccccc3)c3ccccc3)c2)cc1 1874694436 CITLGLJHTIRUPT-DYTRJAOYSA-N 446.546 6.883 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)CCCOc3ccccc3)c2)cc1 1874696633 JQRPPEHTWJGHKY-MHWRWJLKSA-N 446.499 5.365 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1cccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c1 1874698202 LADYWNNNJSWEQP-VZUCSPMQSA-N 437.835 5.372 30 10 IKEE CCCCCCC(=O)Oc1cc(/C=C/C(=O)c2ccccc2)c(Br)cc1OC 1874700454 UCZNDHJWELBJRO-BUHFOSPRSA-N 445.353 6.230 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCCOc3ccccc3C)c2)cc1F 1874706863 CTCUXRZGHKUUCA-WYMLVPIESA-N 448.490 5.803 30 10 IKEE Cc1cccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C(C)C)cc3)c2)c1C 1874709540 GOOHXFDGAQDPPL-LFIBNONCSA-N 428.528 6.307 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cc(C)ccc3C)c([N+](=O)[O-])c2)c1 1875101506 DVJYQKRWIBZABA-PKNBQFBNSA-N 445.471 5.264 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)Cc1ccc(C)c(C)c1 1875119873 QMYIXZHRENMGHQ-ACCUITESSA-N 430.500 5.365 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1ccc(Cl)cc1 1875151686 XSVGQAUXKLQCAS-XNWCZRBMSA-N 436.847 5.193 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(Cl)c1OC(=O)c1ccco1 1875155060 KYSFTELMJLLSKU-OUKQBFOZSA-N 446.886 6.600 30 10 IKEE O=C(Cc1ccc(Cl)cc1)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 1875158140 HSDPXRUHDMQKJA-QDEBKDIKSA-N 439.826 5.432 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OC(=O)C(C)(C)C 1875165237 RUAVTLPFXHRVBN-ZRDIBKRKSA-N 438.564 6.373 30 10 IKEE COc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1 1875168851 XNQUYQHULKUHNC-NTCAYCPXSA-N 444.527 5.809 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2OC)cc1 1875178931 KKLXWGYJPJBNHM-NTEUORMPSA-N 444.527 5.755 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccco2)c([N+](=O)[O-])c1 1875180916 FOUGLNKYGIBZBG-FNORWQNLSA-N 441.823 5.274 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc1Cl 1875181215 UFTDBUWITFHYFB-PKNBQFBNSA-N 449.374 7.082 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3cccc(C)c3)c([N+](=O)[O-])c2)cc1C 1875188019 LTVNESMQLCHMTN-CSKARUKUSA-N 445.471 5.644 30 10 IKEE CC1(C)OB([C@@]23C[C@H]2CCN(Cc2cccc(Br)c2Cl)C3)OC1(C)C 1879796399 VDFKCHMTFZFCFP-AUUYWEPGSA-N 426.591 5.161 30 10 IKEE O=C(Nc1cc(Br)cc(C(F)(F)F)c1)Nc1cc(C(F)(F)F)ccc1F 1890085000 GHHGFQMTOQXPDV-UHFFFAOYSA-N 445.132 6.270 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(OC)c4ccccc34)cc21 1891191696 OYQZHUOYTDBSFJ-UHFFFAOYSA-N 430.504 5.038 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CC[C@H](CCNC(=O)OC(C)(C)C)C(C)(C)C)NCC 1922108104 RDQDDLLHKXORIR-DNQXCXABSA-N 446.676 6.095 30 10 IKEE CC[C@@H](NC(=O)OC(C)(C)C)[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccc(OC)cc1 1941062896 ZQZRYJLVEHJQGT-JPYJTQIMSA-N 433.549 5.022 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 1943911157 JYGTVUBYNHCKJJ-DVECYGJZSA-N 435.609 5.676 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CC1CCC(CNC(=O)OC(C)(C)C)CC1)NCC 2015975959 NSDUWVPVKMSCLL-UBVWURDFSA-N 430.633 5.459 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H](CNC(=O)OC(C)(C)C)CC(C)C)c1 2033648793 IUHANJVNDWRSNA-PZJWPPBQSA-N 445.604 5.816 30 10 IKEE N#Cc1cccc(Nc2cc(Br)c(Br)c(Br)c2)c1 2034332539 BAZIZDOAUBVTEG-UHFFFAOYSA-N 430.925 5.589 30 10 IKEE C/C=C1/C(=O)[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@H]3[C@H](C)CCC(=O)OC)[C@@]2(C)CC[C@H](O)C[C@H]12 2037854504 SXDZXAFUWCERDJ-PYYKOLQFSA-N 430.629 5.331 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CC(C)(C)[C@@H]2OCc2ccccc2)cc1 2038723539 DHSPLOHEVZKBAS-NVQXNPDNSA-N 436.552 5.714 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)c(C)c(Br)c1)NCC 2063090157 KPXBIJCLRGHVIS-DLBZAZTESA-N 431.802 5.011 30 10 IKEE C=C1C[C@@H]1C[C@H](NC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071343358 CHYFPZVBKBFXNE-QQNWGBJXSA-N 429.560 5.432 30 10 IKEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Cl)cc1Br 2077804735 DCDNRLGWDHKHFP-IRXDYDNUSA-N 429.786 5.060 30 10 IKEE CC[C@@H](c1ccc(C2CC2)cc1)n1nc(C2(C)CC2)c(C#N)c1I 2079041988 BTZWAFIDOSQKOM-KRWDZBQOSA-N 431.321 5.288 30 10 IKEE CCOC(=O)c1c(C2CCC2)nn(Cc2ccc(F)c(C(F)(F)F)c2)c1C(F)(F)F 2079051180 ABGDWSYVTKAQGP-UHFFFAOYSA-N 438.343 5.552 30 10 IKEE CC(C)c1ccc([C@@H](C(C)C)n2nc(C(C)C)c(C#N)c2I)cc1 2079924966 GJCJTNXCTXYVJO-LJQANCHMSA-N 435.353 5.852 30 10 IKEE CC(C)[C@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)(F)F)c(C=NO)c1Cl 2079970729 WSFLPQAKBNWQGT-GFCCVEGCSA-N 431.739 5.767 30 10 IKEE CCc1cc(Br)c([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)s1 2089743717 OKKRMXIONQWQKZ-INIZCTEOSA-N 439.350 6.218 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Cl)c(Br)c1F 2097185062 YOKITVZWRNLITN-RHSMWYFYSA-N 449.792 5.752 30 10 IKEE CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)Nc1cc(Br)c(C#N)cc1F 2106040325 UIJYARAQJIPODD-IBGZPJMESA-N 428.346 5.201 30 10 IKEE CC[C@]1(CNc2cc(Br)cc(F)c2C#N)CCCN(C(=O)OC(C)(C)C)C1 2163709819 YPWXMAZJUPVCTQ-HXUWFJFHSA-N 440.357 5.299 30 10 IKEE C[C@H]1CC[C@@]2(CSC(=Nc3c(Br)cc(Cl)cc3Br)N2)C1 2194675127 ZJIFSJZVDZZBDR-RTHLEPHNSA-N 438.616 5.748 30 10 IKEE COc1cccc(F)c1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2203462016 KEVZDTKFGPHRDO-MRXNPFEDSA-N 435.293 5.603 30 10 IKEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N(Cc1ccccc1)Cc1ccccc1 2241479252 USUJYXOURMSUBB-UHFFFAOYSA-N 441.380 5.137 30 10 IKEE CC(C)(C)CC1CC([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)C1 2289969981 WHAGCNZTJXGIAO-LADRWXRNSA-N 435.406 6.545 30 10 IKEE CCN[C@@H](C#Cc1cccnc1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2295782973 FFYFFHWXDTZUMK-NDEPHWFRSA-N 448.566 5.942 30 10 IKEE CC(=Cc1ccccc1)C=C1SC(=Nc2cccc(C(=O)O)c2)N(c2ccccc2)C1=O 2314547006 ATUDHUJHRJYQAY-UHFFFAOYSA-N 440.524 6.140 30 10 IKEE CCc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccc(C)cc2)C4)cc1 2321958761 FCWGHBGBYBMQOD-UHFFFAOYSA-N 425.528 5.834 30 10 IKEE Sc1nnc(CCCOc2ccccc2)n1N=Cc1ccccc1OCc1ccccc1 2322060268 BFLGZZMOODQERR-UHFFFAOYSA-N 444.560 5.040 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccccc1)C3=O)CN(C[C@@H](O)c1ccc(Cl)cc1)CO2 2322436624 GUSKMHQHHJJFMD-JOCHJYFZSA-N 447.918 5.150 30 10 IKEE Cc1ccc(C(=O)C=Cc2c(OCc3cccc(Cl)c3)ccc3ccccc23)c(C)c1 2322570048 GQPUEERBGVFOFZ-UHFFFAOYSA-N 426.943 7.585 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(Cl)cc(OC)c1OCc1ccc(F)cc1 2322643089 KNTGTPFFLOEMPS-UHFFFAOYSA-N 440.898 6.280 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Br)ccc2OCc2ccccc2)cc1F 2322705148 BPANUAIVWLZRGU-UHFFFAOYSA-N 441.296 6.072 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2ccc([N+](=O)[O-])cc2)cc1F 2322711340 CIZFNXZSJBHPTO-UHFFFAOYSA-N 437.423 5.226 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2)c(OC)c1 2322904366 NEBXJVLUQVJODL-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE O=C1C(=Cc2ccccc2)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc21 2323203685 UWXUUFYRDVPLGP-UHFFFAOYSA-N 432.475 6.040 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)C=Cc1ccc(C(C)C)cc1 2323259017 RZAHDSMSEWFREQ-HHHXNRCGSA-N 428.661 6.365 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1OCc1cc(C)ccc1C 2323259087 DCRNXLPWVAAADT-UHFFFAOYSA-N 428.572 7.021 30 10 IKEE Cc1cc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)ccc1[N+](=O)[O-] 2323279661 OTZQYTOQGWKFOL-UHFFFAOYSA-N 449.846 5.700 30 10 IKEE Cc1c(OC(=O)c2ccc(C(F)(F)F)cc2)ccc2c1OC(=Cc1ccc(F)cc1)C2=O 2323352246 FSBGFBBFYQMQKC-UHFFFAOYSA-N 442.364 5.988 30 10 IKEE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2323423034 YFHLNKNBKIEDKB-UHFFFAOYSA-N 432.859 5.584 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(OC(=O)c3ccc(OCC(C)C)cc3)c2C)C1=O 2323641946 RNWRPRRNPXKNSE-UHFFFAOYSA-N 448.540 6.235 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(OC)c1OCc1cc(C)ccc1C 2323985515 OYRYWIJMBGGPJC-UHFFFAOYSA-N 444.546 6.963 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c1 2324035023 KNUJPCLRXSGMHD-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2ccc(OCc3cc(C)ccc3C)cc2)cc1Cl 2324589040 YKPBDFGZEDQNBG-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE COc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 2324834550 TZHPMRQBHSILHE-QGZVFWFLSA-N 429.328 6.015 30 10 IKEE Cc1cc(OCc2ccc(C(=O)OC(C)C)o2)cc2c1C(=O)C(=Cc1ccc(F)cc1)O2 2325387707 CNZRUBJNQSTOCF-UHFFFAOYSA-N 436.435 5.488 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2cc(Cl)ccc2Cl)c1)c1cccc([N+](=O)[O-])c1 2325686316 HJXXRVULOWVMJW-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4C)ccc3C2=O)cc1 2325713601 VMPATEZEQQYSPC-UHFFFAOYSA-N 429.472 5.027 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2OC)cc1OC(=O)c1cccc2ccccc12 2325722959 BLZHVHWYCBZNCJ-UHFFFAOYSA-N 438.479 5.972 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)CCc3ccccc3OC)c2)cc1F 2325748734 YUYCKFUFZGRJSE-UHFFFAOYSA-N 434.463 5.277 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2cccc(OC(=O)Cc3ccccc3)c2)cc1Cl 2325759513 GYXLPJUAUPZNHL-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1OC(=O)c1cnc(C)cn1 2325765132 SDGZLVBHXSBJSD-UHFFFAOYSA-N 444.531 5.515 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)[C@@H](C)c3ccccc3)c2)c(OC)c1OC 2325787457 ZYOHVSMXBBIQNX-SFHVURJKSA-N 446.499 5.318 30 10 IKEE CCc1nnc(SCc2ccccc2F)n1N=Cc1ccccc1OCc1ccccc1 2326269216 IDBPZWUBJHASAB-UHFFFAOYSA-N 446.551 5.733 30 10 IKEE CCCOc1cccc(C=Nn2c(COc3ccc(Cl)c(C)c3)nnc2SCC)c1 2326519794 IURQTLFTBXDSNW-UHFFFAOYSA-N 444.988 5.602 30 10 IKEE CCCOc1ccc(C=Nn2c(CC)nnc2SCc2cc(C)ccc2C)cc1Cl 2326592181 KFCADPBGZUPNEA-UHFFFAOYSA-N 443.016 6.074 30 10 IKEE C=CCSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1ccc(C(F)(F)F)cc1 2328961748 RKXJYHVHLYLHKS-UHFFFAOYSA-N 444.526 5.859 30 10 IKEE CCCSc1nnc(Cc2ccccc2F)n1N=Cc1ccc(N(CC)CC)cc1 2329761643 PNFNWSUJSVLDSZ-UHFFFAOYSA-N 425.577 5.239 30 10 IKEE C=CCSc1nnc([C@H](C)c2ccccc2)n1N=Cc1cc(Br)ccc1F 2330119056 MQWDGDIXOVWWRF-CQSZACIVSA-N 445.361 5.492 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(CC(C)(C)C)nnc1SCc1ccccc1 2330842427 JMQCPPLOOMPPTO-UHFFFAOYSA-N 444.604 6.203 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(CCCC)cc2)cc(OC)c1OC(=O)[C@H]1CCCO1 2330845726 YLSYKEFGZUCFPS-RUZDIDTESA-N 448.559 5.747 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccccn1 2330874172 IQYAQXYETQGBCK-UHFFFAOYSA-N 434.396 5.743 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@H]2CCCO2)c(Cl)c1)c1ccc(Br)cc1 2330887111 CHKXNYVQABGURE-LJQANCHMSA-N 435.701 5.083 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)ccc1OC(=O)c1ccc(F)c(F)c1 2330979697 QDXYPKPEPQJNMB-UHFFFAOYSA-N 438.426 5.487 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2331018123 WZWCXVZNESYOIK-UHFFFAOYSA-N 445.471 5.564 30 10 IKEE Oc1ccc(Cl)cc1C=Nn1c(SCc2ccccc2Cl)nnc1-c1ccco1 2331211232 SJZSQMRHZOSMNQ-UHFFFAOYSA-N 445.331 5.725 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1ccc(F)cc1F 2331376868 DYERPFMJJUNPPN-UHFFFAOYSA-N 438.426 5.406 30 10 IKEE CCc1ccc(C=Nn2c(CC(C)C)nnc2SCc2c(Cl)cccc2Cl)cc1 2331461700 HBSNAKHCQWLVTL-UHFFFAOYSA-N 447.435 6.520 30 10 IKEE CCCCCCC(=O)Oc1c(OC)cc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OC 2331493198 HSAQEVGJECBBNV-UHFFFAOYSA-N 438.564 6.599 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 2331497935 QQSOBMMRGJEIJP-UHFFFAOYSA-N 433.435 5.973 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(C(=O)OC)cc1 2331659092 WLHRTEVFMQYYHA-UHFFFAOYSA-N 444.560 5.345 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)c1ccccc1F 2331668762 UIGKWVWHXPNPRI-UHFFFAOYSA-N 448.490 5.965 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc(Br)c1OC(C)=O 2331669747 MSXGVWDMULWVAB-UHFFFAOYSA-N 447.325 5.295 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(F)cc2F)cc1 2331788293 UFASWJJAUCIKJM-UHFFFAOYSA-N 434.482 6.686 30 10 IKEE C[C@H]1C[C@@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN1Cc1ccccc1 2339578143 CNVSKGMBAQHOBJ-REWPJTCUSA-N 433.405 5.191 30 10 IKEE C=C(C)CCCC[C@H](OCCCN)c1sc(Cl)cc1I 2366692795 WGWOUKDDIBJXPF-ZDUSSCGKSA-N 427.779 5.549 30 10 IKEE CCCC[C@@H](CC)[C@@H](ON=C(c1ccccc1)c1ccccc1)n1nnc2ccccc21 5309642 XZFQFZVQVQKTBX-JIPXPUAJSA-N 426.564 6.616 30 10 IKEE C=CCc1cc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc(OC)c1O 6672315 LCPKKKLPZYJXGV-VCHYOVAHSA-N 447.965 5.197 30 10 IKEE COc1cc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)cc2)ccc1OC(C)C 20885264 RPFKJBOOWOXXLI-PKOBYXMFSA-N 439.939 5.140 30 10 IKEE COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2OC)C3)ccc1O 21259600 OQEUMQVTJFAVEE-SOKVYYICSA-N 442.515 5.389 30 10 IKEE CCOc1ccc(/C=C\C(=O)c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 34954114 QUFNKUUGFZFPIE-UWVJOHFNSA-N 428.528 6.498 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(Br)cc2)c1)c1ccc(Cl)cc1 34955087 DFUFFNZXTPBDEX-YIXHJXPBSA-N 441.708 6.218 30 10 IKEE N#Cc1ccc(C(=O)N(Cc2ccncc2)c2nc3ccc(Br)cc3s2)cc1 38827870 PWAGYMVQDIGHSH-UHFFFAOYSA-N 449.333 5.172 30 10 IKEE COc1ccc(-c2c(C#N)c(SCc3ccc(Cl)cc3)nc3c2CN(C)CC3)cc1 40569940 XHTHZVOTBZKWFB-UHFFFAOYSA-N 435.980 5.562 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OC(=O)c4ccc(C)cc4)cc(C)c3C2=O)c1OC 41284418 AWCFWZSGPKCFSP-XKZIYDEJSA-N 430.456 5.156 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(ccc(OCc4cc(C)ccc4C)c3C)C2=O)cc1 62942264 TYFSPIYCSKLHLV-PKAZHMFMSA-N 441.571 6.653 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)COc1ccc(C(C)(C)CC)cc1 100224925 YCQQGHQXHUCRFU-UHFFFAOYSA-N 445.732 8.351 30 10 IKEE CCCCCCCCN1C(=O)/C(=C/C2=Cc3cccc(OC)c3O[C@@H]2C)SC1=S 100953421 LLCQCHZZOQGXRA-RUAUKMDKSA-N 431.623 5.964 30 10 IKEE CCCCCCCCCCCCS/C(=C(\c1ccccc1)[N+](=O)[O-])c1ccccc1 102420200 WJWGSVIRUJTEEB-OCEACIFDSA-N 425.638 8.443 30 10 IKEE O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@@H](c2ccccc2F)/C1=C(/O)c1ccccc1 103105446 BTYLXIZFJHYXTB-LCPUNJGISA-N 448.450 5.201 30 10 IKEE CCOc1cc(/C=N/Nc2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)cc1Cl 169876651 RVGXUURFPXUKDJ-MZJWZYIUSA-N 443.374 7.034 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\n2c(S)nnc2CCC)cc1OCC 169910654 KINQJJOVCUYITI-MOHJPFBDSA-N 432.634 5.930 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccccc2OC)cc1 169942270 LJQCXKRYFZMDEC-DEOSSOPVSA-N 443.499 5.049 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccccc1OC 169944810 NXYORQWSQVUXOM-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(Cl)cc2)cc1C 170059880 ITCUXVHPYSBMGP-JOCHJYFZSA-N 439.939 5.568 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@H]2c2ccco2)ccc1F 170092565 VHBLBFJOPTVUDV-IBGZPJMESA-N 429.806 5.303 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2sccc2C)ccc1F 170106624 VNQUZHCTMWXIBD-LJQANCHMSA-N 441.911 5.940 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(O)cc2)c1 170133148 WJQGBFJGXXMWCS-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1cccc(C)c1 170141520 CQFUNZXMDUAPDZ-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1ccc(OC(C)C)cc1 170152478 OHDDSGROIUQRSR-XMMPIXPASA-N 449.591 6.068 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccs2)cc1C 170154422 SHGTXVJSXBFNGZ-HXUWFJFHSA-N 439.558 5.295 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccn2)cc1C(C)(C)C 170181909 AKDVIIQWNZPFIP-HSZRJFAPSA-N 448.563 5.299 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2cccnc2)cc1C 170187172 PYSAZGWADMRACC-XMMPIXPASA-N 442.515 5.188 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1 170228810 XXDPJEAFSCUWDH-NRFANRHFSA-N 438.310 6.085 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(CC)cc2)c1 170265364 DUSNFEWNMVTBBX-DEOSSOPVSA-N 427.500 5.431 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1c1ccc(F)cc1 170271142 UHOVMWNCKRZJEU-QHCPKHFHSA-N 427.431 5.663 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccc(C)o2)cc1 170303174 HBSFJQJYJBEJFQ-NRFANRHFSA-N 437.879 5.423 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]2c2cccc(OC(C)C)c2)cc1 170475280 ZWTKJUNNMFLWFU-DEOSSOPVSA-N 437.536 5.388 30 10 IKEE CCN(CC)c1ccc(N=Cc2ccc(C=Nc3ccc(N(CC)CC)cc3)cc2)cc1 252461177 LCKWPSBPFIXAGK-UHFFFAOYSA-N 426.608 6.880 30 10 IKEE COc1ccc(N=C2S/C(=C\c3ccc(OCc4ccccc4F)cc3)C(=O)N2C)cc1 252607170 GYWBLQYMNLXOHM-YOIRLTMBSA-N 448.519 5.647 30 10 IKEE C=CCn1c(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)csc1=Nc1ccc(C)cc1 252676175 WGGDGPOSHQUTFQ-UHFFFAOYSA-N 434.649 7.244 30 10 IKEE CC(=O)ON=C1C=C2CC[C@@H]3[C@H]4C[C@@H]5CCCC[C@@]5(C(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 254371980 LQJAXDXIQDWPOB-FYRZDGQDSA-N 425.613 6.244 30 10 IKEE Cc1ccc(N=CC2=C(c3ccccc3)Oc3ccccc3[C@@H]2c2ccccc2C)c(C)c1 254386742 WWKCWJDSPSBYRA-PMERELPUSA-N 429.563 7.950 30 10 IKEE C=CCN=c1scc(-c2ccc(Cl)cc2Cl)n1N=Cc1ccc2c(c1)OCO2 254480198 HYOZYQPGVIKPEV-UHFFFAOYSA-N 432.332 5.221 30 10 IKEE CCSc1nnc(C(F)F)n1N=Cc1ccc(COc2cccc(Cl)c2C)o1 254507996 WNUCEJPISUPWJX-UHFFFAOYSA-N 426.876 5.344 30 10 IKEE Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1N=C1SCC(=O)N1CC(C)C 254738394 XOHCADDXOGODKQ-UHFFFAOYSA-N 425.385 5.074 30 10 IKEE CCCNC(=O)c1ccsc1N=Cc1cc(Br)ccc1OCCC(C)C 263622077 KZVWVXWCPKWMCT-UHFFFAOYSA-N 437.403 5.826 30 10 IKEE COc1cc(-c2nc3ccccn3c2N=Cc2cc(Cl)cc(Cl)c2O)ccc1O 263626011 BMWHCJOXCXPZEN-UHFFFAOYSA-N 428.275 5.479 30 10 IKEE CCCCCCCCCCNc1ccc(I)c(Br)c1 388495901 DYSBLWMUGNLQTE-UHFFFAOYSA-N 438.191 6.606 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccc(C)c2)cc1OC 526486932 RPEUMCDALVJBRM-VWLOTQADSA-N 440.499 5.331 30 10 IKEE CCOc1cc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccc(F)c2)ccc1OC 526516857 SEWSSAMSBHLAEC-XMMPIXPASA-N 444.462 5.162 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccs2)c1 526518314 WYEYQSUEFGEWPB-HSZRJFAPSA-N 430.529 5.856 30 10 IKEE O=C1C(=C/C=C/C=c2\c3cccc4cccc(c43)n2Cc2ccccc2)C(=O)c2ccccc21 685944673 RRHDPPACGPNJNB-LKAMPELFSA-N 439.514 5.904 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1cccc(C2CC2)c1 698442590 FNGDRKGXIQIROE-HXUWFJFHSA-N 427.342 6.333 30 10 IKEE Cc1ccccc1C=Nc1cc2c3c(c1)[C@@H](c1ccccc1)CCN3CC[C@@H]2c1ccccc1 1083923943 ADUWLHJXDRIDLW-FQLXRVMXSA-N 442.606 7.623 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Oc1ncn3nc(Nc4ccccc4)nc3c1[C@H]2c1cccs1 1088694312 LQCLWZJPYJGVSQ-IBGZPJMESA-N 443.532 5.097 30 10 IKEE Cc1cccc(N=C2S/C(=C\c3ccccc3OCc3ccccc3Cl)C(=O)N2C)n1 1772730232 AFUCSRLFVLYWHN-PAMLCIOASA-N 449.963 5.856 30 10 IKEE CCSc1ccc(Cl)cc1CC(=O)Nc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1 1860862329 BZFZUNILHJELDB-UHFFFAOYSA-N 449.963 5.757 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)COc1c(C)ccc(C)c1C 1861661971 HQPDDBHJOOKAQN-XMMPIXPASA-N 446.676 5.923 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccccc2C)cc1 1862390305 ZZIAFUVSJQMTCW-VWLOTQADSA-N 448.607 5.258 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(C(C)(C)C)cc1 1862421184 WKTPSCOEABMPSL-JOCHJYFZSA-N 441.518 6.031 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(F)c1 1862444730 GBUQELHWOJYCCJ-OYHNWAKOSA-N 435.882 5.819 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1cccc2ccccc12 1862460046 HFSZRHRNSBAPCF-WHEQGISXSA-N 439.433 5.634 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccccc2C(=O)O)c1 1862493046 GZYGQMUCTPMNNI-HSZRJFAPSA-N 447.531 5.303 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2c(F)cccc2Cl)c1 1862495368 XOSLCLUDHNXVFK-NRFANRHFSA-N 429.919 5.720 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CC)cc1OC 1862499211 BEWICRNCUJGTQV-QHCPKHFHSA-N 437.536 5.089 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2cccc3ccccc23)cc1 1862531340 LRGSKCGZOXGSSV-RUZDIDTESA-N 427.544 6.027 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccccc2F)cc1 1862615995 NXVMGDAVUBECAO-XMMPIXPASA-N 449.566 6.424 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(Cl)cc1 1862618540 VLZRLZPLSHSGJN-NRFANRHFSA-N 425.956 6.016 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(OC)c(O)c1 1862618933 JZCOVQQFBOCBRM-NYHFZMIOSA-N 437.536 5.075 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cccc(F)c1)c1cccc2ccccc12 1862650067 MYKLEZYCNRANBO-XMMPIXPASA-N 429.491 5.890 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862674064 RVLWEDONCYQSFE-DEOSSOPVSA-N 429.491 5.475 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccc(F)cc2)cc1 1862687749 OMTLNABOYHONOA-QHCPKHFHSA-N 437.511 5.526 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1cccc(O)c1)c1ccc2ccccc2c1 1862713475 PKBIZAMUWDITMA-VWLOTQADSA-N 441.527 5.847 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(O)cc1 1862724936 XIGISPREARHCND-OSPHWJPCSA-N 427.500 5.436 30 10 IKEE N#Cc1ccccc1NC1=C(c2ccccc2F)C(=O)N(c2ccc3ccccc3c2)C1=O 1862922441 MQIRILKAJCUOJO-UHFFFAOYSA-N 433.442 5.247 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N2C[C@@H](C)C[C@@H](C)C2)nn1-c1ccc(Cl)cc1 1870024281 ZWBFJUKFHGVTHN-KDURUIRLSA-N 446.039 6.092 30 10 IKEE N#Cc1nnn(Cc2ccc(Cl)c(Cl)c2)c1NC(=O)c1ccc(Cl)c(Cl)c1 1870105062 XZAAGPXBPFGHPT-UHFFFAOYSA-N 441.105 5.064 30 10 IKEE C=CCn1cc(OCC(=O)Nc2cccc(C)c2C)c(=O)cc1CSCc1ccccc1 1870211058 IRVKGKYQJPXDOX-UHFFFAOYSA-N 448.588 5.102 30 10 IKEE C=CCOc1cn(CCc2c[nH]c3ccccc23)c(CNc2ccc(F)c(F)c2)cc1=O 1870809243 RPDHEWWCEZTMRG-UHFFFAOYSA-N 435.474 5.027 30 10 IKEE C=CCOc1cn(CCCOCC)c(CNc2ccc(Cl)c(C(F)(F)F)c2)cc1=O 1870810002 GSEZQFODZUOMNX-UHFFFAOYSA-N 444.881 5.124 30 10 IKEE Cc1cccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(C23CC5CC(CC(C5)C2)C3)C4)c1 1871353669 USJYLJTYDJEFNC-GATIEOLUSA-N 441.571 6.040 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1cc(C)c2c(c1)O/C(=C\c1ccccn1)C2=O 1871371527 VFOODMINOOUDRT-HAHDFKILSA-N 429.472 5.079 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc(C)c2C1=O 1871373992 YXGSRJRIOVWKHN-UUYOSTAYSA-N 445.427 5.056 30 10 IKEE CCCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871378607 VKWUCKAJAXIQOK-CXVBHRBPSA-N 444.458 5.850 30 10 IKEE Cc1cc(OC(=O)c2cc3ccccc3oc2=O)cc2c1C(=O)/C(=C/c1ccccc1F)O2 1871379085 KAMULBPLNUXBQH-UUYOSTAYSA-N 442.398 5.076 30 10 IKEE CCCOc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)c1 1871387587 DKOHUTUTYFBJLF-QRVIBDJDSA-N 432.447 5.758 30 10 IKEE CCc1ccc(/C=C2\Oc3c(CN4CCc5ccccc5C4)c(O)cc(C)c3C2=O)cc1 1871394741 OKXNJUOIRDBLQA-MYYYXRDXSA-N 425.528 5.438 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OCCOc4ccc(Cl)cc4)c3C)C2=O)cc1 1871412824 GKZQMGQFUBUCDA-HAHDFKILSA-N 436.891 5.731 30 10 IKEE Cc1cc(OCC(=O)Nc2c(Cl)cccc2Cl)cc2c1C(=O)/C(=C/c1ccco1)O2 1871430860 FJCJSKHBVMNRPN-NVMNQCDNSA-N 444.270 5.529 30 10 IKEE CCc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871454779 XJCGOLKHPSTFPY-UCQKPKSFSA-N 447.918 5.845 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)cc1C 1871458567 CNPSUMYWLFHGQF-QFEZKATASA-N 442.515 5.003 30 10 IKEE CCc1ccccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1cccc(OC)c1)C2=O 1871458847 NNSNXOMBVYSSLB-OYKKKHCWSA-N 443.499 5.200 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCc4cc(=O)oc5ccc(C)cc45)ccc3C2=O)cc1 1871460254 CHGDYPAYZZPRKG-ZMFRSBBQSA-N 438.479 5.859 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@H](C)CC)S(=O)(=O)CC 1871858772 ZHSOXFQNSQOKGA-AUSIDOKSSA-N 444.597 5.060 30 10 IKEE COc1cccc(OC)c1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872762085 CQNLZVXYMSUZOY-ZDUSSCGKSA-N 433.316 5.624 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccccc3Cl)n2)cc1C 1872764984 DAUXGEBTLZXPGO-QGZVFWFLSA-N 440.952 5.816 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)Cc3cccc4ccccc34)n2)cc1 1872769984 FNLRPEXGZNNYSD-HSZRJFAPSA-N 426.541 6.171 30 10 IKEE Cc1cc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)ccc1Cl 1872773537 PZXCDNVBDYAEJS-IBGZPJMESA-N 438.980 6.325 30 10 IKEE COc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3cccc4ccccc34)cs2)cc1OC 1872774790 BVXVMEQESMDGHY-HXUWFJFHSA-N 428.513 5.399 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)cc1 1872785060 DLFFULQRIGZMTK-OPUMOTSWSA-N 438.936 5.760 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)c3cccc(Br)c3)n2)cc1C 1872787098 AWWYSCAKZZEPLF-KRWDZBQOSA-N 441.350 5.688 30 10 IKEE C=CCc1ccccc1OCc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1 1872858897 AEXAQBOPGLHSCL-UHFFFAOYSA-N 440.587 6.483 30 10 IKEE CCCCCCCCCCNC1=C(c2cccnc2)C(=O)N([C@@H](CC)CCCCC)C1=O 1873077392 XSCLPZQCZXKZLZ-QHCPKHFHSA-N 441.660 6.251 30 10 IKEE C=CCN1C(=O)C(Nc2cc(C)ccc2OCC)=C(c2cccc(Cl)c2Cl)C1=O 1873342200 XMTUVOCXDYWHTB-UHFFFAOYSA-N 431.319 5.079 30 10 IKEE C=CCn1c(C(=O)Nc2ccccc2C(C)C)cc2c(NCc3cccnc3)ncnc21 1873608843 HSZDQUWANHANRP-UHFFFAOYSA-N 426.524 5.000 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(CCCC)cc1)n2CC(C)C 1873656662 GKMSCPFRQPWBIT-UHFFFAOYSA-N 445.611 5.861 30 10 IKEE CCSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1cccc(Cl)c1 1874203844 BFURDZUGYKZPGU-LSHDLFTRSA-N 441.771 5.812 30 10 IKEE CCCOc1cccc(/C=N/n2c(CCc3cccc4ccccc34)nnc2SCC)c1 1874232092 OTYFDUYOKOZFRC-ZXVVBBHZSA-N 444.604 6.000 30 10 IKEE CCCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1cccc(OCC)c1 1874284669 RVTRNUVXGOJBSM-LFVJCYFKSA-N 428.989 5.500 30 10 IKEE Cc1ccc(/C=N/n2c(CCCOc3ccccc3)nnc2SCc2ccccc2)cc1 1874315928 SILOBVXLDHRIJX-ZXVVBBHZSA-N 442.588 5.773 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccccc3Cl)n2/N=C/c2cccs2)cc1 1874367512 GKQJEUHSRCBWBN-FSJBWODESA-N 445.400 6.488 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccccc2O)cc1 1874387590 UYROOKITUYKTAY-CVKSISIWSA-N 432.524 5.197 30 10 IKEE COc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2C)cc1 1874416187 CXZXNDXGIWDKIZ-YZSQISJMSA-N 428.561 5.360 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2-c2cccs2)cc1 1874424527 POUPVFCPTAEHQJ-WSDLNYQXSA-N 426.954 5.540 30 10 IKEE C=CCSc1nnc([C@H]2CCCO2)n1/N=C/c1ccc(OCc2ccc(C)cc2)cc1 1874448848 NCHASNXBVJCHIM-NJRDNMGOSA-N 434.565 5.177 30 10 IKEE CSc1nnc(C2CCCC2)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874452011 ZANJXJGHXYJQEK-ZVHZXABRSA-N 426.973 5.772 30 10 IKEE Cc1ccccc1CSc1nnc(C(F)(F)F)n1/N=C/c1ccc(C(F)(F)F)cc1 1874458210 BFCKVGNRQHBELQ-NSKAYECMSA-N 444.404 5.799 30 10 IKEE CCOc1c(/C=N/n2c(SCCc3ccccc3)nnc2-c2ccco2)cccc1OC 1874467134 SYWCJDCLTOHRMJ-KOEQRZSOSA-N 448.548 5.162 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccccc1O 1874485735 KHQXVOOZRPZUAA-FOKLQQMPSA-N 435.380 5.763 30 10 IKEE Cc1ccccc1CSc1nnc(CC(C)C)n1/N=C/c1c(Cl)cccc1Cl 1874487527 OGHGLQGMCPJWDG-WYMPLXKRSA-N 433.408 6.266 30 10 IKEE COc1ccc(OC)c(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C(C)C)c1 1874514742 IRUILFJQNHLDNG-BHGWPJFGSA-N 448.951 5.386 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc(Br)cc1 1874527272 HBALOYCTFWBHFG-SRZZPIQSSA-N 435.778 5.431 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccccc2Cl)c1OCC(=O)Nc1cc(C)ccc1C 1874574940 MQVIQZKPXMNVOQ-BUHFOSPRSA-N 449.934 5.879 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(F)cc2F)o1 1874576273 GCMABBNTIJTLMS-FPYGCLRLSA-N 446.833 5.863 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccccc1OCC(=O)Nc1ccc(C)c(C)c1 1874586086 VLMGZOCPIDLWNV-ACCUITESSA-N 443.543 5.842 30 10 IKEE C=CCOc1ccc(Br)cc1/C=C/C(=O)c1cc(Cl)cc(Cl)c1OC 1874586452 OAMLWTJIUPEIKJ-GQCTYLIASA-N 442.136 6.225 30 10 IKEE COc1cccc(/C=C/C(=O)c2c(C)cc(C)cc2C)c1OCC(=O)Nc1ccc(F)cc1 1874590061 QUQQDUHVPPKNDS-MDWZMJQESA-N 447.506 5.673 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OCc1ccc(Cl)cc1 1874603109 JSMQBOQCLAFBJC-RIYZIHGNSA-N 428.915 6.977 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 1874604198 AETNSOIQTZNJMS-VZUCSPMQSA-N 445.773 7.684 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1)c1ccccc1 1874614677 NSGUZXFODBLGAO-JXMROGBWSA-N 428.271 6.377 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1F 1874621526 HYMBYMLWMIBDRP-CSKARUKUSA-N 426.871 5.971 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OCC(=O)Nc1nccs1 1874625267 VJNLRDVNDWOYBM-ONNFQVAWSA-N 436.533 5.189 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2[N+](=O)[O-])o1 1874633374 ZBBOGSVPLTWNAI-UXBLZVDNSA-N 449.459 5.456 30 10 IKEE COc1cccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c(OC)c3)c2)c1 1874693906 CEGGZDATKJKUDL-JLHYYAGUSA-N 446.499 5.147 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(OC)c1OC(=O)C(F)(F)F 1875096685 ZXJUQCLPVGZEFH-JXMROGBWSA-N 430.378 5.221 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3-c3ccccc3)cc2)cc1 1875112643 MZEXPSGEKJQNJM-DEDYPNTBSA-N 434.491 6.478 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)c1ccccc1 1875125608 RCYAAXWSJOYFBP-XNTDXEJSSA-N 432.903 6.192 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3F)c(OC)c2)cc1 1875131353 SVEIOKQMFYUQOM-UUILKARUSA-N 438.426 5.487 30 10 IKEE CCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1Br 1875135553 WMXGZTBCOKATLL-XBXARRHUSA-N 442.136 6.358 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)c1ccc(C)c(C)c1 1875137765 CZJLZGBHDKXXFY-ZRDIBKRKSA-N 444.527 6.053 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2[N+](=O)[O-])cc1 1875139646 TXCFCNOGZYKOHS-WUXMJOGZSA-N 431.444 5.336 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(F)c3)cc2)CC1 1875151951 ATVDLSXBBLKYTD-MHWRWJLKSA-N 438.539 6.632 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)[C@@H](C)c1ccccc1 1875167575 DTJUPVVZLRODAP-IXDOJHRFSA-N 444.527 5.926 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)c1ccco1 1875183180 OAZBLGQLCWYKGW-CMDGGOBGSA-N 438.907 6.372 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccccc2)c(Cl)c1 1875184063 HAGKPUZZTFDPJG-SDNWHVSQSA-N 432.947 7.061 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](O)c1ccc(OCc2ccccc2)cc1 1922097255 NHSDPZWUFJTJNW-IZLXSDGUSA-N 431.576 5.440 30 10 IKEE CCCCCCCCCC[C@H](N)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 1947432005 FWPRDBUCQFUIFL-DEOSSOPVSA-N 433.681 5.871 30 10 IKEE C#Cc1ccc([C@H](CCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 1951606857 BUDHSUYEYRLMTO-VWLOTQADSA-N 425.484 5.113 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)C1(C#N)CCC2(CC1)C[C@@H]2CNC(=O)OC(C)(C)C 1996453094 FDUPPUJFSYQMHP-OVZSAZJBSA-N 435.609 5.389 30 10 IKEE N#Cc1cc(F)c(NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)cc1Cl 2008209341 SJHYHNAWZANDHK-UHFFFAOYSA-N 435.930 5.234 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1cnn(C(C)C)c1NC(=O)OC(C)(C)C 2015157843 HGBBLTULHOOJFA-NRFANRHFSA-N 428.577 5.235 30 10 IKEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@H](C#N)[C@]1(C)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2022144051 HFNKUWCKJYFZHO-VLIAUNLRSA-N 449.514 5.104 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C 2032000333 NZTWFXITTHVGEV-RRQZXNHTSA-N 443.588 5.664 30 10 IKEE Cc1nc2ccc(Br)cc2c(-c2ccccc2)c1C(=O)C=Cc1ccc(F)cc1 2038190103 LJWULEZOSMQOMP-UHFFFAOYSA-N 446.319 7.008 30 10 IKEE C=C(COCCC)[C@@H](NC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071360962 YAWIKELFZDWGGE-MUUNZHRXSA-N 431.576 6.088 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)cc1 2077947222 DYYRZLCJFCIQGR-WOJBJXKFSA-N 443.588 5.664 30 10 IKEE COc1cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)ccc1C 2149628097 NNUOWEIRASCALT-SFHVURJKSA-N 431.330 5.773 30 10 IKEE CCCCCCCCC[C@@H](NCC)c1csc(Br)c1Br 2150343945 YWJHPEXEBAJKIT-CQSZACIVSA-N 425.274 7.064 30 10 IKEE CCC1(CC)OCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2155125307 KCWKWOUFQCJAAI-HXUWFJFHSA-N 437.378 5.822 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(CCNc2ccc(C#N)c(Br)c2F)cc1 2162339601 GLJCPQUZLUQGCR-UHFFFAOYSA-N 434.309 5.461 30 10 IKEE CC(C)(C)OC(=O)N1CCc2ccc(Nc3ccc(C#N)c(Br)c3)cc2C1 2162412648 FUCZTZBPUFADLA-UHFFFAOYSA-N 428.330 5.358 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(OCCNc2cccc(Br)c2C#N)cc1 2162415145 QGEYUCXEBDQYKF-UHFFFAOYSA-N 432.318 5.159 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)C1([C@@H]2CCCCO2)CC1 2164398160 LOEHABSVVUUOCM-ROUUACIJSA-N 435.362 5.432 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@@H](Nc3ccc(Br)c(C#N)c3)C[C@H]21 2166954425 FMVMNAZPRADKEZ-LSBZLQRGSA-N 434.378 5.301 30 10 IKEE CCN[C@@H](C#Cc1cccc(Cl)c1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2216973819 QGAXHSQLQPYVON-XMMPIXPASA-N 441.015 5.887 30 10 IKEE CCCC#C[C@@H](NC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2218455871 GLBWEWVKEMBVDQ-NAKRPHOHSA-N 429.560 5.270 30 10 IKEE CC(C)(C)OC(=O)NC[C@]1(C)CCC[C@@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 2241895604 YWSLFIKHWTYJFY-DQEYMECFSA-N 443.588 5.401 30 10 IKEE C=C(C)CCCC[C@H](NCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2259232957 HRKVYSCWJXTLFS-DEOSSOPVSA-N 443.676 5.661 30 10 IKEE CCC#C[C@H](OCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2262286840 RVVXGXFHNIMCOV-DEOSSOPVSA-N 430.500 5.400 30 10 IKEE CC(C)(C)OC(=O)NCc1c(Cl)cccc1Nc1cc(Br)cnc1C#N 2268622795 UXBLBFYJRKMXSR-UHFFFAOYSA-N 437.725 5.137 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)c1cc(Br)cc(C(C)(C)C)c1 2273004689 FDFDMWURZSXNID-MSOLQXFVSA-N 426.395 5.640 30 10 IKEE C=C(CC)C[C@H](OCCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2277087326 IBOGNJRXSMUECH-NDEPHWFRSA-N 445.603 6.607 30 10 IKEE C=CCC[C@@H](C)[C@H](OCCC(=O)O)c1scc(Br)c1Br 2291032862 KWHRJTKVSJEDIC-RNCFNFMXSA-N 426.170 5.408 30 10 IKEE CCc1ccc(NC=C2C(=O)c3sccc3N(Cc3ccc(C)cc3)S2(=O)=O)cc1 2297378479 UTIYPSMPTVCSNJ-UHFFFAOYSA-N 438.574 5.105 30 10 IKEE C[C@@H]1CCC(=CC=Cc2ccccc2[N+](=O)[O-])C(=O)C1=CC=Cc1ccccc1[N+](=O)[O-] 2297454546 QHSOFLQDNNTTDE-GOSISDBHSA-N 430.460 6.081 30 10 IKEE COc1ccccc1C=CC=C(C(=O)c1ccc(OC)c(OC)c1)c1nc2ccccc2o1 2297471928 YQEMXUADESEJHZ-UHFFFAOYSA-N 441.483 5.833 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1ccc(NC(=O)OC(C)(C)C)cc1F 2299434448 CEZGZAHOENPEOP-QHCPKHFHSA-N 428.548 5.986 30 10 IKEE CN[C@@H](C#CC(C)(C)OC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2316469153 RCTOQYPBHREZEY-VWLOTQADSA-N 429.560 5.534 30 10 IKEE Clc1ccccc1C=Nn1c(SCc2c(Cl)cccc2Cl)nnc1C1CC1 2320867986 HXBPRPCWASFHGW-UHFFFAOYSA-N 437.783 6.290 30 10 IKEE CC(C)[C@@H]1C[C@H](Nc2ccc(C#N)cc2Br)CN1C(=O)OCc1ccccc1 2321266615 YNUNHIUFRKMNKV-RXVVDRJESA-N 442.357 5.168 30 10 IKEE Cc1cc(OCc2ccccc2Cl)cc2c1C(=O)C(=Cc1c(Cl)cccc1Cl)O2 2321762278 JUAXRLKPFJDOEX-UHFFFAOYSA-N 445.729 7.150 30 10 IKEE Cc1ccccc1COc1ccc(Cl)cc1C=CC(=O)c1ccc(Br)cc1 2322427396 VZSHTJZLZQQLDL-UHFFFAOYSA-N 441.752 6.886 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@H]2CC[C@H]1N(C(=O)OC(C)(C)C)C2 2322625371 IQFLRVGRCFJTQY-BSWQBHCVSA-N 441.572 5.418 30 10 IKEE Cc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(Cl)cc2Cl)C3=O)cc1 2322680206 QAZYLNALOUQJTG-UHFFFAOYSA-N 439.294 6.446 30 10 IKEE COc1cccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)c1OCc1cc(C)ccc1C 2322844877 DPZUCRPBQASBSJ-UHFFFAOYSA-N 428.572 7.021 30 10 IKEE O=C(COc1cccc(C=CC(=O)c2ccc3c(c2)CCCC3)c1)Nc1ccc(F)cc1 2323057594 KBJNHEITNDISSN-UHFFFAOYSA-N 429.491 5.618 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2cccc(OCC(=O)OCC(C)C)c2)cc1Cl 2323306829 QWZBLFGINGVYSY-UHFFFAOYSA-N 437.319 5.476 30 10 IKEE Cc1ccc(COc2ccc(C=CC(=O)c3ccc(-c4ccccc4)cc3)cc2Cl)cc1 2323351946 ARDZCHRNKWDFGW-UHFFFAOYSA-N 438.954 7.791 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)c4cccc(OCC(C)C)c4)c3C)C2=O)cc1 2323580533 DNABWQFNRBMPGM-UHFFFAOYSA-N 442.511 6.174 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)ccc1OCc1c(F)cccc1Cl 2323620052 NEEUBQAYTZLDRK-UHFFFAOYSA-N 445.317 7.006 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)ccc1OCC(=O)Nc1ccccc1C 2323627177 QXPNWHJDNKQGIF-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3C)c(Cl)c2)c(C)c1 2323854708 RRQWROCCYKWGLE-UHFFFAOYSA-N 433.935 6.179 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(C)c2)C3=O)cc1 2323889746 SATYITRLGIXLOC-UHFFFAOYSA-N 442.467 5.454 30 10 IKEE CCCCN(CC)Cc1c(O)cc(C)c2c1OC(=Cc1ccc(Br)cc1)C2=O 2324121678 NQZYXSAPYLEBQG-UHFFFAOYSA-N 444.369 5.701 30 10 IKEE COc1ccc(OC)c(C=C2Oc3cc(OCCOc4ccccc4)cc(C)c3C2=O)c1 2324220386 AJNLHNXAWDDYDG-UHFFFAOYSA-N 432.472 5.086 30 10 IKEE N#C[C@@H](C(=O)C=Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc3ccccc3c2)cs1 2324352109 JVHMXTNSFGQGCQ-IBGZPJMESA-N 449.362 7.160 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 2324357138 ZPLQLONTZQBSKU-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)cc1 2324372250 LJQLQYBMXDKFSS-GOSISDBHSA-N 442.515 5.083 30 10 IKEE N#C[C@@H](C(=O)C=Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccccc2)cs1 2324494735 AOJYOXCOZASRIX-DEOSSOPVSA-N 436.536 6.279 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc(Br)c1OC 2324585276 JNXHAAVYVYIHIH-UHFFFAOYSA-N 431.370 6.358 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2ccc(OCC(=O)OCC(C)C)cc2)cc1Cl 2324588955 BGXIOLDROMEGIE-UHFFFAOYSA-N 437.319 5.476 30 10 IKEE COc1cccc(C=C2Oc3cc(OCc4cc(C)c(C)cc4C)ccc3C2=O)c1OC 2324762537 AYSZEWDAFJBJRN-UHFFFAOYSA-N 430.500 5.824 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(Cl)cc3)n2)cc1Cl 2324807228 PTIQVWKBSQTSMR-MRXNPFEDSA-N 429.328 6.015 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(F)cc3)n2)c2ccccc12 2324840825 CFTOXBDOGUZGCR-OAQYLSRUSA-N 428.488 6.001 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3cc(C)ccc3C)c2)c1 2325706329 LZPYKOYYEJOISV-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1cccc(C=CC(=O)c2ccccc2Cl)c1 2325717812 QPKHDBMNUOQUBK-UHFFFAOYSA-N 425.311 6.428 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)CCc3ccccc3OC)c2)cc1 2325718511 MFBXLGWZPLWBCP-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE CCc1cccc(CC)c1NC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1)C2=O 2325718579 DQPRQVHHVYMIOZ-UHFFFAOYSA-N 427.500 5.445 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(-n3cccc3)cc2)c1)c1ccc(Cl)cc1 2325730593 RGMVGLOZOGHBPH-UHFFFAOYSA-N 427.887 6.246 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)cc1OC(=O)CC(C)C 2325755858 UQRSDBMSBAQLBG-UHFFFAOYSA-N 437.319 5.858 30 10 IKEE FC(F)(F)c1ccccc1C=Nn1cnnc1SCc1c(Cl)cccc1Cl 2326509236 YAGUQFSMDRVOCT-UHFFFAOYSA-N 431.270 5.778 30 10 IKEE CCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(OC(C)C)c(OC)c1 2326546411 QOINGANAPUVQOM-UHFFFAOYSA-N 444.988 5.464 30 10 IKEE CCCSc1nnc(Cc2ccc(OC)c(OC)c2)n1N=Cc1cccc2ccccc12 2326772086 ZPRYCIKOPQZDIW-UHFFFAOYSA-N 446.576 5.424 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(CCCOc3ccccc3C)nnc2SC)cc1 2327047053 SSPPWMSTUVWJBW-UHFFFAOYSA-N 437.613 5.048 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2Cl)n1N=Cc1ccc(F)cc1F 2327649192 DXFADURTDIJBNP-UHFFFAOYSA-N 434.899 5.339 30 10 IKEE Cc1ccsc1C=Nn1c(Cc2ccccc2[N+](=O)[O-])nnc1SCc1ccccc1 2328486313 WQIDPKXQLRWLFT-UHFFFAOYSA-N 449.561 5.322 30 10 IKEE Cc1cccc(CSc2nnc(COc3cccc(C)c3C)n2N=Cc2ccncc2)c1 2328827736 UGGCDNKRJNQXKS-UHFFFAOYSA-N 443.576 5.352 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3F)n2N=Cc2cccc(C)c2)cc1 2329995161 JGLWSYUPGPDEOO-UHFFFAOYSA-N 430.552 5.799 30 10 IKEE Cc1cccc(CSc2nnc([C@H](C)c3ccccc3)n2N=Cc2cccc(O)c2)c1 2330075659 CQRZZULLUADHCF-LJQANCHMSA-N 428.561 5.618 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccccc1 2330084147 VEHCDVDPHJMVRN-SFHVURJKSA-N 443.532 5.513 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCCc2ccccc2)n1N=Cc1ccccc1Cl 2330113351 YNNROICTRHXSJX-IBGZPJMESA-N 447.007 6.300 30 10 IKEE Oc1ccccc1C=Nn1c(Cc2cccs2)nnc1SCc1ccc(Cl)cc1 2330422202 FZMYBMLDZUYDBQ-UHFFFAOYSA-N 440.981 5.464 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1 2330740715 KJFZLVWIXFLTLQ-UHFFFAOYSA-N 446.499 5.390 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2cccc(OC)c2)cc1OCC 2330795133 HTSZFXGUMNYLGP-UHFFFAOYSA-N 438.564 6.646 30 10 IKEE CCCOc1cccc(C=Nn2c(CC(C)(C)C)nnc2SCCc2ccccc2)c1 2330852090 KTVLUIBRUWYKNO-UHFFFAOYSA-N 436.625 5.873 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccccn1 2330874406 JECMTNXCLRKMEY-UHFFFAOYSA-N 434.396 5.743 30 10 IKEE O=[N+]([O-])c1cccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C(F)(F)F)c1 2331150245 REEFZAWRLWBQEO-UHFFFAOYSA-N 441.822 5.033 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Br)c1OC(=O)C1CCCC1 2331177862 HPFOYBAGPBMINZ-UHFFFAOYSA-N 429.310 5.449 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(OC)c3)c(Cl)c2)cc1 2331195288 ZZGCSSPKKNBYMF-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE COCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(C)cc1 2331308238 PQWODIMIGJVJDX-UHFFFAOYSA-N 435.380 5.257 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)c1ccccc1F 2331335923 YHIYIQMZTDTHRT-UHFFFAOYSA-N 438.426 5.406 30 10 IKEE Cc1cccc(C=Nn2c(SCC(=O)Nc3ccc(C)cc3C)nnc2C(C)(C)C)c1 2331416137 QNDPHBGTXXIATG-UHFFFAOYSA-N 435.597 5.114 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3)c(Cl)c2)c1C 2331645815 ZYHJGPSOBHQQGC-UHFFFAOYSA-N 436.910 6.828 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C(C)C)cc1 2331706445 REWBTJKMHKWIRC-UHFFFAOYSA-N 444.604 6.518 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OC(=O)C2CCCC2)c(Cl)c1 2331743543 OYWHHGWCSXAJEX-UHFFFAOYSA-N 433.331 6.302 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)c3ccccc3)cc2)c(OC)c1OC 2331885534 HGCQJYZJECHNLF-SFHVURJKSA-N 446.499 5.318 30 10 IKEE CCCC[C@@H](CNC(=O)OC(C)(C)C)Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339587491 VPMYCLYMZHASEF-IBGZPJMESA-N 445.413 5.222 30 10 IKEE CN[C@H](C#C[C@@H]1[C@@H]2COC[C@@H]21)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2342528107 KZQDIPKCWGIANI-HVWQDESWSA-N 439.555 5.001 30 10 IKEE Cc1cc(C(F)(F)F)nc(SCC(=O)N(c2ccccc2)c2ccccc2)c1C#N 1010205 BTDDHIXPVMJUTL-UHFFFAOYSA-N 427.451 5.738 30 10 IKEE C=CCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1cccc(Cl)c1 14069159 JLNCLYDWIGFNMK-UHFFFAOYSA-N 441.969 5.125 30 10 IKEE Cc1ccc(-c2ccc(CCC(=O)NC[C@@H]3CCCO3)n2-c2ccc(CC#N)cc2)c(C)c1 23425718 IWWXZJRDRTYXTJ-VWLOTQADSA-N 441.575 5.055 30 10 IKEE COc1cc(OC)cc(-c2nnc(SCc3cccc(C#N)c3)n2-c2ccc(C)cc2)c1 35847753 QZCJBBHLNDSHIS-UHFFFAOYSA-N 442.544 5.424 30 10 IKEE COc1ccccc1/C=C/C=C1/Oc2c(ccc(O)c2CN(CC(C)C)CC(C)C)C1=O 37857881 BCLQDRIPSAGUPP-JFTSQCHASA-N 435.564 5.687 30 10 IKEE Cc1cccc(/N=C2/S/C(=C\C=C\c3ccccc3[N+](=O)[O-])C(=O)N2C2CCCCC2)n1 39863680 OZBCQJBVZZASHN-CVNQXDSCSA-N 448.548 5.791 30 10 IKEE Cc1csc(/N=C2/S/C(=C\c3ccc(C(C)C)cc3)C(=O)N2C2CCCCC2)n1 39865604 DHHCSZNPZNBSEC-DMDNQVQLSA-N 425.623 6.512 30 10 IKEE C=CCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cccc(C)c2)c1 39879846 LRWDTJSOKBGQSS-VWLOTQADSA-N 437.495 5.724 30 10 IKEE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1/C(=N/Nc1ccccc1)CCC2 40824160 YXWPGIUQCRKSJS-OVVQPSECSA-N 428.319 6.300 30 10 IKEE COc1cccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCc2cccs2)C4)c1 41646836 OGRFZAUOOBPEJG-XKZIYDEJSA-N 433.529 5.076 30 10 IKEE CC(=O)N1CCC[C@H](C(=O)Nc2cc(Cl)c([C@H](C#N)c3ccc(Cl)cc3)cc2C)C1 59747646 OAZIYIXJQWOOJQ-FXAWDEMLSA-N 444.362 5.154 30 10 IKEE C=CCn1c(SCC(=O)c2cc(C)n(-c3cccc(SC)c3)c2C)nnc1C1CC1 60384004 DDRRNYQOZHAWQR-UHFFFAOYSA-N 438.622 5.446 30 10 IKEE COc1ccc(-c2nc(SC)nc(Nc3cccc(C(F)(F)F)c3)c2C#N)cc1OC 62039755 OPRIKMFZEHGWPM-UHFFFAOYSA-N 446.454 5.517 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(ccc(OCC(=O)OC(C)(C)C)c3C)C2=O)cc1 62942249 FSHDNUSDXXRUTG-JCMHNJIXSA-N 437.536 5.178 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(ccc(OCc4ccccc4C)c3C)C2=O)cc1 62942258 GUPLLVNUTJSNIO-ONUIUJJFSA-N 427.544 6.345 30 10 IKEE C=C(C)COc1ccccc1NCC(=O)Nc1cccc(OCCCc2ccccc2)c1 66062845 HXSTZPCPJIVXPU-UHFFFAOYSA-N 430.548 5.704 30 10 IKEE CCCCCCCOc1ccc([C@]2(CC)Nc3ccccc3C(=O)N2Cc2ccco2)cc1 100141597 ZHAFEWAXOXEZQB-MUUNZHRXSA-N 446.591 6.960 30 10 IKEE Cc1c(Cl)cccc1NC(=O)c1oc2c(c1C)/C(=N\Nc1ccccc1)CC(C)(C)C2 101108893 SBGFOFTTZNPACI-BRPDVVIDSA-N 435.955 6.591 30 10 IKEE CCCCCCCOc1cc(C(NC(=O)CC(C)C)NC(=O)CC(C)C)ccc1OC 101328823 XVBJKCZLXAQJPU-UHFFFAOYSA-N 434.621 5.368 30 10 IKEE Cc1c(OC(=O)/C=C\c2ccccc2)ccc2c1O/C(=C\c1cn(C)c3ccccc13)C2=O 103025022 OVYJDMMALFZLBV-XRIFNLFXSA-N 435.479 5.722 30 10 IKEE CCCCCCCCNCc1cccc(OCC)c1OCc1ccc(Cl)cc1Cl 104318880 HCPBGOBIHDCVOI-UHFFFAOYSA-N 438.439 7.421 30 10 IKEE C=CCn1c(-c2sc(NC(=O)c3ccccc3Nc3ccccc3)nc2C)n[nH]c1=S 111199803 WEVIOZMNLPQSMM-UHFFFAOYSA-N 448.577 5.555 30 10 IKEE Cc1ccccc1N1C(=O)c2ccccc2N/C1=C/C=C1\C=C(Br)C=CC1=O 136517452 PPPXKNHYDYHRKJ-SYHWUTBPSA-N 433.305 5.253 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccs2)c1 169981855 QKDDBUSQBFYHIJ-HXUWFJFHSA-N 439.920 5.583 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@@H]1c1ccccc1F 170069823 NQBBAFHMSBQVJC-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccccc2F)c1 170069886 IPXSMWYBFODBSI-XMMPIXPASA-N 445.490 5.624 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccccc1F)c1cccc(Cl)c1 170070867 GOVVLTRCTLYKLV-FQEVSTJZSA-N 442.273 5.915 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2c[nH]c3ccccc23)s1 170075770 WXNCEUYWCDRLON-NRFANRHFSA-N 443.528 5.333 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1ccc(OC)cc1 170116454 PRRRWJPKDFBARV-FQEVSTJZSA-N 425.868 5.083 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@H]1c1ccc(OC)cc1 170116630 XGLKNXWVOCCZEM-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1ccc(N(C)C)cc1 170129319 BGIQUOZRDLSSQB-HSZRJFAPSA-N 434.580 5.347 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2cccs2)ccc1OC(C)C 170163605 COBFDQMVTDRUOW-QFIPXVFZSA-N 448.544 5.017 30 10 IKEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(Cl)cc4)[C@@H]3c3ccccc3)ccc2O1 170226653 CRIVYVLEVDKMNF-IQMFZBJNSA-N 445.902 5.446 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 170226844 XBQZBBQXTWADRO-HXUWFJFHSA-N 434.835 5.031 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)cc(Cl)c2OC)[C@@H]1c1ccccc1 170232338 CRQUBEPNLJNBRI-SFHVURJKSA-N 434.319 5.380 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@H]1c1ccc(Cl)c(Cl)c1 170246660 NZTQDNXCRPTHMX-HXUWFJFHSA-N 446.330 5.307 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cc(C)c(OC)cc3C)=C(O)C(=O)N2C2CCCC2)cc1 170268753 KWGTYJIELAJDFA-DEOSSOPVSA-N 433.548 5.395 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2C)c1 170269795 WPPQIGKKUMMTMI-JOCHJYFZSA-N 433.529 5.234 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)[C@H]2c2ccco2)cc1 170283449 XBSDEXKLHVTBMW-JOCHJYFZSA-N 447.874 6.025 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2sccc2C)cc1 170316933 LXPMYYSTYGPDNQ-OAQYLSRUSA-N 448.544 5.019 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(Cl)cc2)cc1Cl 170375730 SMBMDSZCYDZFGJ-IBGZPJMESA-N 444.339 6.146 30 10 IKEE O=[N+]([O-])c1ccc(NN=C(Cc2ccccc2)C23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1 254294032 PCAKPWYJEOQLPI-UHFFFAOYSA-N 434.496 5.730 30 10 IKEE O=C(OCc1ccccc1)N1C[C@@H](CS)[C@H](c2cc(Br)ccc2Cl)C1 382693914 OVTMCNXJUWOUTK-WMLDXEAASA-N 440.790 5.385 30 10 IKEE C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC(C(=O)Nc2cccc(F)c2)CC1 508850674 VULUJYOWZPWXDR-HSZRJFAPSA-N 447.558 5.000 30 10 IKEE CCCOc1cccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 526488291 HFLNNFNYPCDRBB-XMMPIXPASA-N 428.463 5.543 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccc(OC)c2)c1 526515334 JTQAVELMUJGKOL-RUZDIDTESA-N 440.499 5.413 30 10 IKEE CC(C)COc1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526523115 UNUSEWZKDDQCKX-VWLOTQADSA-N 442.490 5.789 30 10 IKEE CC(C)Oc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 526773388 RBEROHWXHHQGCF-QHCPKHFHSA-N 447.918 5.910 30 10 IKEE CCCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccc(Cl)cc2)cc1Cl 526807296 SZFKWIFCTOJBMI-CFRMEGHHSA-N 449.407 6.111 30 10 IKEE Cc1cccc(CSc2nncn2/N=C\c2cc(Cl)c(OCC(C)C)c(Cl)c2)c1 526807759 AOOAHXZGNGGGRM-MRUKODCESA-N 449.407 6.103 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccc(O)c(Cl)c1 526821281 KPOOKQANBPPROJ-QFEZKATASA-N 436.968 5.917 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1cccc(OC(C)C)c1 526821578 ZNVPOZOXGICQKF-QQXSKIMKSA-N 430.577 5.955 30 10 IKEE CCCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccc(C#N)cc2)cc1OCC 526822501 JTDFKKGSCDJIKA-QQXSKIMKSA-N 449.580 5.074 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@@H](NC(=O)c3ccccc3Cl)C2)c1 586004286 GXVPBROUJVHNCK-HXUWFJFHSA-N 439.987 5.212 30 10 IKEE N#Cc1cccc(CN(c2cccc3cccnc23)S(=O)(=O)c2cccc(Cl)c2)c1 586223251 IYFKHNCPLOTGRG-UHFFFAOYSA-N 433.920 5.155 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)CC1 704042098 JENQDDUGGORPPN-QHCPKHFHSA-N 433.524 5.251 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@@H](C#N)c1cccc(OCc2ccccc2)c1 710768435 REMPMFWMDTUEEL-DEOSSOPVSA-N 448.950 6.925 30 10 IKEE C=CCn1c(=S)sc2c(=O)n(Cc3nc(-c4ccccc4Cl)cs3)cnc21 775171348 VWIYHSLVGVWVRT-UHFFFAOYSA-N 432.983 5.000 30 10 IKEE CSc1nc2ccc(N=Cc3ccc(SCC(=O)Nc4ccccc4)o3)cc2s1 1084121978 JTXRDGULOMDMJQ-UHFFFAOYSA-N 439.587 6.093 30 10 IKEE CCc1ccc(N=C2S/C(=C\c3cccc(C)c3)C(=O)N2c2ccc(CC)cc2)cc1 1084626079 NOHBORSDOZDUQA-SBEYKLCGSA-N 426.585 6.928 30 10 IKEE C[C@@H]1CCCCN1/C(=N/CC(C)(C)CN)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1088684279 KSXWTDHWBBQQCZ-CYBMUJFWSA-N 438.460 5.351 30 10 IKEE O=C(O)c1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1-c1ccc(F)cc1F 1614814381 RAJYCNUDHXXHAE-UHFFFAOYSA-N 436.258 5.553 30 10 IKEE C=CCOc1ccc(CNC(=O)c2c(Nc3ccc4c(c3)CCCC4)cc(C)nc2O)cc1 1640362582 MWCMSZIGXRELNP-UHFFFAOYSA-N 443.547 5.213 30 10 IKEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CCCC1(C)C 1689841881 PSAPPPKFZNPMFE-DOTOQJQBSA-N 445.405 5.000 30 10 IKEE O=C1/C(=C\c2ccccc2[N+](=O)[O-])SC(=Nc2cccnc2Cl)N1C1CCCCC1 1772731868 BGOBBQAXWCGHAP-DHTRNYPVSA-N 442.928 5.580 30 10 IKEE CCOC(=O)c1sc(NC(=O)c2cccc(-c3nc4ccccc4o3)c2)c(C#N)c1C 1859735964 FOPYZUSZZJNTBR-UHFFFAOYSA-N 431.473 5.165 30 10 IKEE N#Cc1cccc(COc2cccc(NC(=O)CC(c3ccccc3)c3ccccc3)c2)c1 1860099321 SCSYVTQKCMPPSU-UHFFFAOYSA-N 432.523 6.298 30 10 IKEE CC[C@@H](Sc1nc(O)c(C#N)c(-c2cccc(Cl)c2)n1)C(=O)OC1CCCCC1 1860463629 KUNJMZUVGPOVSK-QGZVFWFLSA-N 431.945 5.121 30 10 IKEE N#Cc1cccc(C(=O)Oc2ccc(C3CCN(C(=O)c4ccc5cc[nH]c5c4)CC3)cc2)c1 1860704920 VAUUJIXNVIOTMN-UHFFFAOYSA-N 449.510 5.279 30 10 IKEE CCCCCCCCNC(=O)[C@](C)(CC)NC(=O)CCCOc1ccc(Cl)cc1 1861713644 HWEOJDOUGMPPBR-QHCPKHFHSA-N 425.013 5.261 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1cccc(O)c1 1862412099 WPUNZQVRMNXJQB-VGSWGCGISA-N 443.490 5.608 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2Cl)[C@H]1c1ccccc1)c1ccc(F)cc1F 1862413058 UJMSXNJLUVMOHE-NRFANRHFSA-N 439.845 5.397 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C)cc2)cc1 1862475873 WJMNAQOEYYSGSF-VWLOTQADSA-N 425.528 5.433 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccccc2F)cc1 1862490249 QSKDQSKODGKHMH-XMMPIXPASA-N 429.491 5.529 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2ccc(C)cc2)cc1 1862534556 VUJSUKKHBXBAJY-DEOSSOPVSA-N 445.946 5.989 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2cccc(Cl)c2)cc1 1862536205 SYUBZYQTRDGTSP-QFIPXVFZSA-N 432.907 5.076 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1862540491 OUIZSQGWGHQLLL-RNODOKPDSA-N 442.899 5.187 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1cccc2ccccc12 1862575187 YQNJNNJJXOBXAI-GYCJOSAFSA-N 445.515 5.234 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1C(=O)O 1862583301 XQRUQYNXEBQJCN-SFHVURJKSA-N 448.302 5.070 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(C(C)C)cc1 1862596621 VRSIDSKDWQRVNC-RDGATRHJSA-N 449.591 6.453 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCCOC(C)C)cc1 1862613738 OCOPKEDVUDQIGG-DEOSSOPVSA-N 449.591 5.686 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cccc(C)c1 1862625607 KPPYIKMRFBCRQN-YKSBVNFPSA-N 449.547 5.661 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862660642 LODSYPLWNMQGNZ-DEOSSOPVSA-N 440.499 5.663 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(Cl)cc1Cl 1862667771 JOHIUXUNVZULLG-OAQYLSRUSA-N 446.374 6.495 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(F)cc2)=C(O)C(=O)N1Cc1cccc(Cl)c1 1862674168 KYCQTZMXOKVPTP-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 1862678742 VOUINXGXQDRWBT-HSZRJFAPSA-N 437.555 6.282 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C(C)C)cc1 1862684356 UVECKTAITLVXEK-JOCHJYFZSA-N 425.500 5.381 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(N(C)C)cc2)=C(c2ccc(C)c(C)c2)C1=O 1863249971 ICGGVCYYVFCPTO-UHFFFAOYSA-N 447.623 5.922 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1cccc2c1C(=O)NC2=O 1866030056 WMZJSANATMFMCR-UHFFFAOYSA-N 428.617 6.770 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N1CCN(Cc2ccccc2)CC1 1866342264 GAEXWWMMULSOQM-UHFFFAOYSA-N 442.732 7.592 30 10 IKEE CCCc1nc(Nc2ccc(C#N)cc2)cc(N2CCC[C@H]2Cc2ccc(Cl)cc2)n1 1868400699 APJMFTGIBQUQLE-QFIPXVFZSA-N 431.971 5.909 30 10 IKEE N#Cc1ccc(Nc2cc(N3CCC[C@H](Oc4ccccc4)C3)nc(-c3cccnc3)n2)cc1 1868575853 LVVPPJMWGYORJD-DEOSSOPVSA-N 448.530 5.202 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)c2cccc(Cl)c2)n(-c2cccc(Cl)c2)n1 1870002872 XQCQMCSMDRLSFH-UHFFFAOYSA-N 428.323 5.005 30 10 IKEE C=CCOc1cn(CCC(C)C)c(CSc2nc3ccccc3n2CCC)cc1=O 1870244586 XSALWLPRPCPAGU-UHFFFAOYSA-N 425.598 5.511 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)OC)c(=O)cc1CSC(C)(C)C 1870265010 HHPXMGRYNRYRQG-UHFFFAOYSA-N 425.635 5.573 30 10 IKEE CCCCCCCOc1cn(CCCCCC)c(CN(CCCC)CCCC)cc1=O 1870416572 FDQPPVCSCZUKLX-UHFFFAOYSA-N 434.709 7.180 30 10 IKEE CCCCCCCCn1cc(OCCc2ccccc2)c(=O)cc1CN(CC)CCCC 1870691768 NTZDPPGSLLGYMB-UHFFFAOYSA-N 440.672 6.452 30 10 IKEE C=CCOc1cn(C[C@H](O)c2ccc(Cl)cc2)c(CNc2cccc(Cl)c2)cc1=O 1870813126 XMZZUPVIUCKFRL-QFIPXVFZSA-N 445.346 5.066 30 10 IKEE C=CCn1cc(OCCCCCCC)c(=O)cc1CNc1ccc(N(CC)CC)cc1C 1870835732 GQPWCWCFIBTNKA-UHFFFAOYSA-N 439.644 6.150 30 10 IKEE CC(C)CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(Cl)cc1 1871252172 NVEPHKFAOWXETK-UHFFFAOYSA-N 435.955 5.611 30 10 IKEE CCn1cc(/C=C2\Oc3c(ccc4c3CN(C3CCCCC3)CO4)C2=O)c2ccccc21 1871346063 BDIMKKGHEBYQJK-QFEZKATASA-N 428.532 5.762 30 10 IKEE COc1ccc(Br)cc1/C=C1\Oc2c(ccc(OC(=O)C3CCC3)c2C)C1=O 1871362472 GAEJUBMYAYJGBE-ODLFYWEKSA-N 443.293 5.088 30 10 IKEE Cc1c(OC(=O)Cc2ccc(F)cc2)ccc2c1O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 1871371635 AQPZZFQMZBKVDK-IWIPYMOSSA-N 444.502 6.196 30 10 IKEE O=C1/C(=C/c2cccc(Cl)c2)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc21 1871379082 JWCIEWIBTUXHFE-JJFYIABZSA-N 444.826 5.282 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(-n5cccc5)cc4)ccc3C2=O)cc1 1871383858 GGLQTDCSBWTIAM-XYGWBWBKSA-N 437.451 5.321 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)CCc4ccccc4)cc(C)c3C2=O)cc1 1871385769 LNFIJGJGKNWTLL-JLPGSUDCSA-N 428.484 5.548 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OC(=O)CC(C)C)cc(C)c3C2=O)c2cc(OC)ccc21 1871386393 SEEVWKWUTKAPLK-KSEXSDGBSA-N 433.504 5.546 30 10 IKEE Cc1c(O[C@H](C)C(=O)OC(C)C)ccc2c1O/C(=C\c1ccc(Br)cc1)C2=O 1871400820 MCEHCDHNKSXJLP-AXLWCPOOSA-N 445.309 5.093 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccc(C)cc4)cc(C)c3C2=O)cc1 1871405736 GMQFQCPMJFPMPM-MGKUZBKYSA-N 441.527 5.888 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871406982 LDUQGOIQZHPPKS-NQRZERFFSA-N 431.463 5.465 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2cccs2)C3=O)c(C)c1 1871414703 XCYLBXDBWNWUEK-RIWZNOJBSA-N 433.529 5.696 30 10 IKEE Cc1c(OCc2c(Cl)ccc(Cl)c2Cl)ccc2c1O/C(=C\c1ccco1)C2=O 1871428049 FTELJIMHJVBWMW-NVMNQCDNSA-N 435.690 6.743 30 10 IKEE Cc1cc(O[C@H](C)C(=O)Nc2ccc(C#N)cc2)cc2c1C(=O)/C(=C/c1cccc(F)c1)O2 1871436092 MFSOCCWIRNOKCX-HNEZCVDCSA-N 442.446 5.028 30 10 IKEE COc1cccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2sccc2C)C3=O)c1 1871441359 APFZHYACEFNPGZ-NDENLUEZSA-N 435.501 5.007 30 10 IKEE CN(C)c1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc(Cl)c4)ccc3C2=O)cc1 1871454495 NAXNMNGATGJVDZ-FMCGGJTJSA-N 448.906 5.040 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O 1871459396 YALQZNBZWLYRBR-QRVIBDJDSA-N 433.891 5.536 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)cc1C)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872519809 KZXKQWGTBKLQRD-XMMPIXPASA-N 442.625 5.150 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1OC 1872763582 PKPWNUKXRSYVSD-MUFCHLESSA-N 449.488 5.015 30 10 IKEE Cc1cccc(OCC(=O)[C@@H](C#N)c2nc(-c3cccc(Br)c3)cs2)c1C 1872763653 RIAYPCRSHIMJSB-QGZVFWFLSA-N 441.350 5.445 30 10 IKEE CC(C)(C)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 1872764372 LEFHIXAPZSIXHR-GOSISDBHSA-N 439.378 6.360 30 10 IKEE COc1ccccc1CC(=O)[C@@H](C#N)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872779965 VWQHXAAVQHKZLY-JOCHJYFZSA-N 440.524 6.030 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)C34CC5CC(CC(C5)C3)C4)n2)cc1C(C)C 1872780009 XQKIJPQJPPPEFW-DBZFMOGVSA-N 448.632 6.643 30 10 IKEE COc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1 1872787343 HRKDRAXZBOQETL-OAQYLSRUSA-N 428.513 5.399 30 10 IKEE CCCn1c(SCc2cccc(C(=O)Nc3cccc(C#N)c3)c2)nc2ccccc21 1872892080 NJPPCRCCKPPWDO-UHFFFAOYSA-N 426.545 5.863 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(OCCC)cc2)=C(c2ccccc2C)C1=O 1873305765 TYLOQMJETHYZGG-UHFFFAOYSA-N 448.607 6.336 30 10 IKEE CCCCCCCCCCNC(=O)c1cc2c(N(C)Cc3ccccc3)ncnc2n1C 1873568198 IUMPGQCVYYOEQP-UHFFFAOYSA-N 435.616 5.475 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 1873885996 CEGZQXNLIOLOHG-VWLOTQADSA-N 449.595 5.482 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1ccc(F)cc1 1874222802 CYZRZOMHTXYKEF-WGOQTCKBSA-N 438.572 5.542 30 10 IKEE CCCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874234216 XMJXXNCSDQNOER-KOEQRZSOSA-N 445.548 5.509 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2C)cc1C 1874320542 XBJDHKPMDSHWBR-JVWAILMASA-N 442.588 5.957 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2Cl)c1 1874367279 VAKRPHHMEMIRBF-WGOQTCKBSA-N 448.979 6.172 30 10 IKEE C=CCSc1nnc(-c2ccccc2Cl)n1/N=C/c1cccc(OC)c1OCC 1874367403 AHVWWDSBLZVSRW-OEAKJJBVSA-N 428.945 5.166 30 10 IKEE Cc1ccccc1CSc1nnc(CC2CCCCC2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874406383 NTZSZPHWEAZUER-PCLIKHOPSA-N 449.580 5.792 30 10 IKEE C=C(C)CSc1nnc(CC(C)(C)C)n1/N=C/c1ccc(OCCC)c(OCC)c1 1874438715 PAZMAWDACSOAFO-BUVRLJJBSA-N 430.618 5.605 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(Cl)cc1Cl 1874476861 WOANRFDXWXPCQJ-WYMPLXKRSA-N 437.371 6.241 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccccc2C)n1/N=C/c1ccc(C(C)C)cc1 1874477951 LRMYMDVPVFBTDW-WGOQTCKBSA-N 449.624 5.666 30 10 IKEE CCOc1c(/C=N/n2c(SCc3cccc(F)c3)nnc2C2CCC2)cccc1OC 1874494211 GQWVSQHTRIFASI-AFUMVMLFSA-N 440.544 5.267 30 10 IKEE CCCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1/N=C/c1cccc(Cl)c1 1874504772 ZHUBXKWXYOMTBS-ZMOGYAJESA-N 441.988 5.114 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CC)nnc2SCc2ccc(C)cc2)cc1OC 1874522014 XCYFXHYMWYMJMH-PCLIKHOPSA-N 438.597 5.511 30 10 IKEE Cc1ccccc1COc1ccc2ccccc2c1/C=C/C(=O)c1ccc2ccccc2c1 1874571276 FECFCWCCJXAUQK-ISLYRVAYSA-N 428.531 7.777 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(Cl)cc2)c1OCC(=O)Nc1ccc(C)cc1C 1874578386 LPSGXNQPJHGFEB-GXDHUFHOSA-N 449.934 5.879 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(C)cc2)c1OCC(=O)Nc1ccc(C)cc1 1874579247 DJIYMONXIBYCIV-JLHYYAGUSA-N 449.934 5.879 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OCC(=O)NC1CCCCC1 1874600711 ZFNWVSMOGBHLMP-ZRDIBKRKSA-N 435.564 5.344 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OCCc2ccccc2)c(Cl)c1 1874635107 GGAKRUZBWUPQDC-SDNWHVSQSA-N 432.991 7.464 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCCOc3cccc(C)c3)c2)cc1 1874701313 LZFILHRAZHBKER-SFQUDFHCSA-N 444.527 6.054 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OC(=O)Cc1ccc(C)c(C)c1 1874701502 WCUJSUBNAHYVGN-FMIVXFBMSA-N 428.528 5.973 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2cc(C)ccc2C)cc1OC(=O)C(C)(C)C 1874703459 QPWRWTKTYNYWME-MDZDMXLPSA-N 445.353 5.922 30 10 IKEE CCc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3cc(C)cc(C)c3OC)ccc2OC)cc1 1874710446 BWYXLGMTPBOJHF-UKTHLTGXSA-N 444.527 5.998 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(C(C)(C)C)cc3)c2)c(C)c1C 1874712308 SLOGTDWAZUNXLS-MHWRWJLKSA-N 442.555 6.725 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(F)cc3F)c2)cc1Cl 1874716682 DDHBETAYVKCMFP-WEVVVXLNSA-N 442.845 5.671 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2cccs2)CSc2nnc([C@@H]3CCCO3)n21 1874938396 VHPJDBPRGSVHRX-SJORKVTESA-N 434.631 5.253 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)CC1CCCCC1 1875098063 QGQUWIBNHDZOOF-FOWTUZBSSA-N 446.587 6.736 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(Cl)c1OC(=O)[C@@H]1CCCO1 1875101566 VLTUDJQPUDAFAK-ZRFOIIEFSA-N 428.912 5.282 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Br)c1OC(=O)C1CCCC1 1875128507 HPFOYBAGPBMINZ-VAWYXSNFSA-N 429.310 5.449 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)c(F)c3)c(Cl)c2)c(C)c1 1875131763 MRIZPNIYDYDJQI-RUDMXATFSA-N 426.846 6.350 30 10 IKEE COc1cccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2Cl)c1 1875133485 XKNYQBCGXCGNCM-XYOKQWHBSA-N 436.891 5.538 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)[C@@H]3CCCO3)c(OC)c2)cc1 1875136389 MOELLOIZRWCYBF-LTSKSLEPSA-N 444.911 5.118 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(C)c3)cc2OC)cc1 1875142798 UQSOAPAPCFJKKX-AWNIVKPZSA-N 448.490 5.586 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(-n3cccc3)cc2)c(Cl)c1)c1ccc(F)cc1 1875158392 UCQXSPQXJNYKIJ-QLKAYGNNSA-N 445.877 6.385 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2cccs2)cc1 1875181964 FMCCNNBULGHTTA-JXMROGBWSA-N 426.921 5.763 30 10 IKEE CC1(C)CCC[C@@]1(C#N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875631827 BNCJBMPZGCJFRX-XRKRLSELSA-N 441.571 6.598 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@H](C#N)[C@]1(C)CCCCN1C(=O)OC(C)(C)C 1890134859 KJNXFBOTAJSOHP-NLFFAJNJSA-N 443.588 5.496 30 10 IKEE CCN(CC)c1cccc(OCC#CCNC(=O)c2ccc(-c3ccc(C)cc3)cc2)c1 1891703617 UKUMMIGHGQTAFV-UHFFFAOYSA-N 426.560 5.320 30 10 IKEE C=C(COCc1ccccc1)C(=O)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 1922095575 VXYOQWKYZDCSHR-UHFFFAOYSA-N 446.341 5.752 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1944588347 LCNQOCOVDRMWBE-MWTRTKDXSA-N 449.979 5.669 30 10 IKEE CC1(C)OB(C=C2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)OC1(C)C 1953199502 OHEMEWPCPGFOSD-UHFFFAOYSA-N 445.368 5.589 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C12CCC2 2008163661 OVTGCBXYSKYAOZ-QHCPKHFHSA-N 447.601 5.311 30 10 IKEE CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 2032484296 QARYKJUHZMGJEI-CLOONOSVSA-N 449.636 5.732 30 10 IKEE CCCCCCCCC[C@@H](NCCC)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2034431038 DODWEJVQIPHRRJ-RPBOFIJWSA-N 448.692 6.605 30 10 IKEE Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)C=Cc3cccc(Cl)c3Cl)cc2)cc1 2053622399 XGPQJRSUMVBXTJ-UHFFFAOYSA-N 446.355 5.999 30 10 IKEE COc1ccc2nc(N3CCCCC3)c(C=CC(=O)C34CC5CC(CC(C5)C3)C4)cc2c1 2053650880 KPDDNXPKKAJZOT-UHFFFAOYSA-N 430.592 6.032 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CN(C(=O)OC(C)(C)C)C23CCCC3)cc1 2072184232 CQOVXARXTPTTGM-VWLOTQADSA-N 441.572 5.562 30 10 IKEE C=C[C@@]1(Oc2cc(Br)c(Cl)cc2N)CCCN(C(=O)OC(C)(C)C)C1 2078231602 QYSXFVCWGWJNCM-GOSISDBHSA-N 431.758 5.019 30 10 IKEE CC[C@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)F)c(C#N)c1Br 2079847136 OHQKRZYINDMSLA-LLVKDONJSA-N 426.158 5.612 30 10 IKEE COc1ccc([C@H](C2CCC2)n2nc(C(C)(C)C)c(C=NO)c2Br)c(C)c1 2079927304 OWDQEANVSVSAOJ-SFHVURJKSA-N 434.378 5.458 30 10 IKEE N#Cc1c(C2CCCCC2)nn(Cc2ccc(F)cc2Br)c1Br 2080307878 ZISFYIPPVMKEHP-UHFFFAOYSA-N 441.142 5.515 30 10 IKEE CC1(C)OB(c2ccoc2CNc2ccc(Br)c(Cl)c2Cl)OC1(C)C 2101329375 QSTXOOOWHBECHN-UHFFFAOYSA-N 446.965 5.260 30 10 IKEE Cc1c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)c(Br)nn1C 2131581805 QIABMHNLTSCVPZ-CQSZACIVSA-N 439.741 5.151 30 10 IKEE C=CCN(CC[C@H](NCC)c1cc(C)c(Br)cc1C)C(=O)OC(C)(C)C 2136362621 FKVPNNJQFHVRLW-IBGZPJMESA-N 425.411 5.530 30 10 IKEE CN[C@H](CC#CC1CCCCC1)c1cc(Br)ccc1I 2149864700 MYEWRRPQNHBGIO-QGZVFWFLSA-N 446.170 5.288 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)C1CC2(C1)CC(F)(F)C2 2158846608 QWCADUIIRRLTKF-MRXNPFEDSA-N 441.316 5.908 30 10 IKEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H](CNc2cc(Br)c(C#N)cc2F)C1 2162343289 HWLCQPYXCLCTAR-AWEZNQCLSA-N 440.357 5.155 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H](CCNc2cc(Br)cc(F)c2C#N)CC1 2163691174 CYPIBPYZUJTILM-CQSZACIVSA-N 440.357 5.299 30 10 IKEE CC(C)N(C[C@H]1CCCN(c2ccc(Br)cc2C#N)C1)C(=O)OC(C)(C)C 2174814637 KAEXJGIMENGNFM-INIZCTEOSA-N 436.394 5.183 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1Cc2ccc(Nc3ccc(Br)cc3C#N)cc2C1 2234127242 TXUPSBAAPJRSJN-GOSISDBHSA-N 428.330 5.056 30 10 IKEE CC(C)(C)OC(=O)Nc1cc([C@@H](O)C#Cc2cccc(Br)c2)ccc1Cl 2278737786 OMGOCRLOLZCSCS-SFHVURJKSA-N 436.733 5.535 30 10 IKEE O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccccc2Cl)C1=C(O)c1ccc(Cl)cc1 2296931512 RWZHOZJUQOQWQP-FQEVSTJZSA-N 439.298 5.010 30 10 IKEE CCOCCCN=C1Sc2nc3cc(C)cc(C)c3cc2CN1C1CCC(C)CC1 2297707165 NJLDBEVLZMDWBY-UHFFFAOYSA-N 425.642 6.121 30 10 IKEE C[C@@H]1[C@@H](C)[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)CCN1C(=O)OC(C)(C)C 2304200982 VFJVCCVUOVXGCB-GGUMNFRJSA-N 435.609 5.484 30 10 IKEE CC(C)c1ccc(C=CC(=O)c2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1 2314429379 FXPUOZYRKTXUNY-UHFFFAOYSA-N 449.344 6.688 30 10 IKEE CC#CCN(C[C@@H](NCC)c1c(Cl)cccc1Br)C(=O)OC(C)(C)C 2316096046 YHLLLUBDECBNSK-MRXNPFEDSA-N 429.786 5.014 30 10 IKEE CSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccccc1F 2321386582 PYDWCKVNRGOUMO-UHFFFAOYSA-N 432.952 5.303 30 10 IKEE COC(=O)COc1ccc(Br)cc1C=CC(=O)c1ccc2ccccc2c1 2322312593 QDCRLJKEYHMXAR-UHFFFAOYSA-N 425.278 5.050 30 10 IKEE CCCCC[C@@H](CC)N1COc2c(cc3c(c2C)OC(=Cc2ccc(CC)cc2)C3=O)C1 2322356872 ZUQZGQBIKJDIAU-HSZRJFAPSA-N 433.592 6.684 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccccc1Cl 2322436873 VYRCFLFPVXGTSC-UHFFFAOYSA-N 434.363 5.917 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Br)ccc1OCc1cccc(C)c1 2322477413 UKDBHIBGOKNXIU-UHFFFAOYSA-N 437.333 6.241 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1cccc(F)c1)c1cc(Cl)ccc1Cl 2323003019 SLERYWWCNBPOEB-UHFFFAOYSA-N 435.709 7.261 30 10 IKEE CCOC(=O)c1ccc(COc2cccc(C=CC(=O)c3ccc4c(c3)CCCC4)c2)o1 2323057606 MSKDEDGHUIXLSQ-UHFFFAOYSA-N 430.500 5.810 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc(Cl)cc4[N+](=O)[O-])c3C)C2=O)o1 2323283630 SSWBRURTKBEJJJ-UHFFFAOYSA-N 439.807 5.293 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)c4c(F)cccc4Cl)cc(C)c3C2=O)cc1 2323363984 WSZVSLXZMMUDIM-UHFFFAOYSA-N 436.866 6.185 30 10 IKEE Cc1c(OC(=O)Cc2cccc3ccccc23)ccc2c1OC(=Cc1ccc(F)cc1)C2=O 2323400578 YPSSFXXFXHNYGS-UHFFFAOYSA-N 438.454 6.052 30 10 IKEE C=C(C)COc1c(Br)cc(C=CC(=O)c2ccc(OC)c(OC)c2)cc1OC 2323456906 RGTBROLAQWMLLE-UHFFFAOYSA-N 447.325 5.326 30 10 IKEE Cc1cc(OC(=O)c2ccc(OC(C)C)cc2)cc2c1C(=O)C(=CC=Cc1ccccc1)O2 2323814080 LSCRIMZVNNOMNN-UHFFFAOYSA-N 440.495 6.174 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OC 2323921241 FLACOXFWDAYZFQ-UHFFFAOYSA-N 429.516 5.480 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)cc1 2323921454 UPFJAMMLOSDLPP-UHFFFAOYSA-N 443.543 6.006 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(OC)c(OCc3ccccc3)c(OC)c2)cc1 2323921643 UVLVMZGFAIRNLK-UHFFFAOYSA-N 432.516 5.968 30 10 IKEE C=CCOc1c(Br)cc(C=CC(=O)c2ccc(OCCC)cc2)cc1OC 2323933649 BJJBBMAMLRKGHW-UHFFFAOYSA-N 431.326 5.707 30 10 IKEE CC(C)COC(=O)COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] 2324161806 QWWBRGODGITRGG-UHFFFAOYSA-N 425.481 5.192 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc([N+](=O)[O-])c1OCc1ccccc1C 2324452569 XCJRJDAWDQLSGL-UHFFFAOYSA-N 445.515 6.394 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCCCOc3ccc(CC)cc3)ccc2C1=O 2324653692 DDWIGFRRNZBHOH-UHFFFAOYSA-N 444.527 6.112 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2325525851 ASTFZLHLWFSGEF-UHFFFAOYSA-N 439.541 5.026 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C)n2N=Cc2ccc(OCc3ccccc3)cc2)c1 2325631206 FYFBXHBVWLIDFG-UHFFFAOYSA-N 442.588 5.957 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc3c(c2C)OC(=Cc2sccc2C)C3=O)c1 2325721902 AKJOSPZIWCYRGD-UHFFFAOYSA-N 433.529 5.615 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OC(=O)c1ccc(N(C)C)cc1 2325739977 FGDHQIXRMYKKRF-UHFFFAOYSA-N 429.516 5.493 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OC(=O)COc1c(C)cccc1C 2325741565 OSNOHZBVYLLBLV-UHFFFAOYSA-N 448.490 5.640 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2cccc(Br)c2)c1)c1ccc(F)c(F)c1 2325753470 IHACCQYMQRAPCZ-UHFFFAOYSA-N 443.243 5.843 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)c2sccc2C)c1 2325756117 VUPBYVFNUACKSH-UHFFFAOYSA-N 447.339 6.487 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1OC(=O)c1ccc(F)cc1 2325757061 OVZCNQSFNAKQAJ-UHFFFAOYSA-N 434.463 5.575 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(O)c(Cl)c1 2326477349 OBYGTISFUDTSRV-UHFFFAOYSA-N 435.380 5.808 30 10 IKEE CCc1nnc(SCc2ccccc2Cl)n1N=Cc1cccc(Br)c1 2326546664 WBKNTSHYYMFFGL-UHFFFAOYSA-N 435.778 5.431 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CCc2cccc3ccccc23)nnc1SC 2326566240 NGMYQRVOLCYCOO-UHFFFAOYSA-N 428.561 5.385 30 10 IKEE CCCc1nnc(SCc2cccc(F)c2)n1N=Cc1cc(Cl)c(O)c(Cl)c1 2326733673 MHXWYCUGNDMOLN-UHFFFAOYSA-N 439.343 5.557 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1N=Cc1cccc(OCC)c1O 2326736106 JQMQNQJTYZLZQL-UHFFFAOYSA-N 428.533 5.039 30 10 IKEE C=C(C)CSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1ccc(OCC)cc1 2328155952 CPQZRTZYJWNPBV-UHFFFAOYSA-N 440.657 6.691 30 10 IKEE CCSc1nnc(COc2ccc(C)cc2C)n1N=Cc1ccc(C(F)(F)F)cc1 2328889944 XJJPOEYZAFVYNH-UHFFFAOYSA-N 434.487 5.487 30 10 IKEE C=CCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1cccc(OC)c1OCC 2329114559 JDCMNBALGCHSCE-UHFFFAOYSA-N 442.972 5.090 30 10 IKEE Clc1cccc(CSc2nnc(COCc3ccccc3)n2N=Cc2ccccn2)c1 2329365200 JELGKCXWPNNKFQ-UHFFFAOYSA-N 449.967 5.218 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccccc3C)nnc2-c2ccccc2Cl)cc1 2329539040 PLACLXRCIBOPFV-UHFFFAOYSA-N 448.979 6.090 30 10 IKEE COc1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2[C@@H](C)c2ccccc2)cc1 2330071108 IYRRUZLJGXOZPH-FQEVSTJZSA-N 442.588 5.921 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2cccc(F)c2)n1N=Cc1ccccc1O 2330078283 IFNCRCAFGXIJJO-QGZVFWFLSA-N 432.524 5.449 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1cccs1 2330089479 JSZSWXXBHUGEFK-MRXNPFEDSA-N 449.561 5.574 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)C=Cc1ccc(OC)cc1)[C@H](C)CC 2330128889 UPWOSYJVLMWUHX-BWKNWUBXSA-N 430.633 5.496 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1OC 2330642884 MOHBXGZLYMXSLV-UHFFFAOYSA-N 447.443 5.117 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3cccc(F)c3)nnc2-c2ccccc2)c1 2330651476 DXGYLUXZXVSJDQ-UHFFFAOYSA-N 432.524 5.657 30 10 IKEE O=C(Cc1ccc(Cl)cc1)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1 2330802278 WWNVXIBNQVBLIU-UHFFFAOYSA-N 445.729 6.691 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1c[nH]c2ccccc12 2330824568 NSHJRVBFNIXJLG-UHFFFAOYSA-N 448.552 5.431 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1cccs1 2330874162 FSRHOOKOHBIBTD-UHFFFAOYSA-N 439.437 6.410 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)c1cccc(C)c1 2330906145 HKTGAJWZTIYDLP-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)c(Cl)c1)c1ccccc1 2331167795 WRCJVNQWCUMUII-UXHICEINSA-N 437.322 6.599 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(OC)cc3)c([N+](=O)[O-])c2)cc1 2331200537 JOFFKBWCXJSNAA-UHFFFAOYSA-N 447.443 5.117 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)c1cccs1 2331225689 OBVUHXZBUAIVHT-UHFFFAOYSA-N 440.948 6.532 30 10 IKEE Cc1ccc(C)c(OCC(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCO4)cc2)c1C 2331432559 HSFFMUKTODJUPO-UHFFFAOYSA-N 444.483 5.221 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)cc(OC)c1OC(=O)c1ccccn1 2331471050 IEKUOSKKSYLVFU-UHFFFAOYSA-N 439.467 5.367 30 10 IKEE Cc1ccccc1CSc1nnc(C(C)C)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2331674015 VBFYNGQOPMOHMW-UHFFFAOYSA-N 429.933 5.446 30 10 IKEE COC(=O)c1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C(C)C)cc1 2331701459 CDCVCPYRDWKXPC-UHFFFAOYSA-N 428.945 5.016 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1c(OC)cccc1OC 2331715209 RNTINWOJWFJJFK-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE C=CCC[C@H](C)[C@H](NCCC)[C@@H](O)c1sc(Cl)cc1I 2366650611 PFEURTKBEMBJAF-LEWSCRJBSA-N 427.779 5.010 30 10 IKEE COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(-c4ccc(C)cc4)c32)cc1OC 9152914 KBQUSGHVQXUMDC-QFIPXVFZSA-N 443.547 5.603 30 10 IKEE COc1ccc(-c2cc(-c3ccccc3)nc(SCc3ccccc3F)c2C#N)cc1 9761301 GSPHTTDFEQTTHH-UHFFFAOYSA-N 426.516 6.727 30 10 IKEE COc1ccc([C@H]2CC(=O)C3=C(C2)NC2=C(C(=O)c4ccccc42)[C@H]3c2ccccc2)cc1 17098445 VXQQDPYJSPRWEC-CLOONOSVSA-N 433.507 5.390 30 10 IKEE COc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1c[nH]c2ccccc12 20881838 IWGOAFGVZQHBHE-UULLZXFKSA-N 435.527 6.156 30 10 IKEE CCCCOc1ccc(C(=O)/C(=C\c2cccc(Cl)c2)c2nc3ccccc3o2)cc1 33631199 PZLUQDFOQWCIRS-OQKWZONESA-N 431.919 7.084 30 10 IKEE COc1cc(/C=C2/Oc3cc(OCc4ccc(F)cc4)ccc3C2=O)cc(OC)c1OC 35107774 QJBLREXFHTZXMP-UFFVCSGVSA-N 436.435 5.047 30 10 IKEE C/C(=C1/S/C(=N/c2nc(C)cs2)N(C2CCCCC2)C1=O)c1ccc([N+](=O)[O-])cc1 39865646 PSJSRLSKDIZYRB-VUXKIEERSA-N 442.566 5.687 30 10 IKEE Cc1nc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(-c2ccccc2)n1 40171928 VBDGYSNHUJOREQ-AWEZNQCLSA-N 434.590 5.383 30 10 IKEE COc1ccc(O)c(/C=N/c2cc(C(F)(F)F)ccc2N2CCc3ccccc3C2)c1 59463182 JCSNNIFWRLFZFM-CCVNUDIWSA-N 426.438 5.733 30 10 IKEE COc1ccc(-c2nc(SC)nc(Nc3cccc(Cl)c3Cl)c2C#N)cc1OC 62039798 XTPNWXNCVXONGW-UHFFFAOYSA-N 447.347 5.805 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2ccccc2C(=O)NCCCOC)cc1 100255147 MMJPQIYQJYSSAG-UHFFFAOYSA-N 426.557 5.054 30 10 IKEE CCCCCCCOc1ccc(C(=O)N(Cc2ccccc2F)C[C@@H]2CCCO2)cc1 101356714 LKHMLFCVTKDRBJ-DEOSSOPVSA-N 427.560 5.996 30 10 IKEE CC(=O)c1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 102624454 BYABYNRGWUNXIM-RKKARLDVSA-N 431.875 5.169 30 10 IKEE CC1(C)CC(=O)C([C@@H](C2=C(O)CC(C)(C)CC2=O)c2cccc(Cl)c2Cl)C(=O)C1 105664386 QWVWXFCYWOYAOT-SFHVURJKSA-N 437.363 5.853 30 10 IKEE CCCCCCCCC(=O)OCC(C)(C)[C@@H](OC(=O)CCCCCCCC)C(C)C 111395381 CYIXYIDXFMPPSQ-VWLOTQADSA-N 426.682 7.625 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2cccc(C)c2)c1 169966647 OPSREVZRZIROSU-AREMUKBSSA-N 441.527 5.496 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2cccc(C)c2)cc1 169969043 IMKNUIRFBAOMMA-VWLOTQADSA-N 427.500 5.106 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2cccc(C)c2)cc1 169972029 PBSVWQNCSJLYJF-VWLOTQADSA-N 441.527 5.399 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2ccccn2)cc1C 169993945 RWFWZFBLESSWOT-QFIPXVFZSA-N 432.907 5.443 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2C2CCCCC2)c1 170039275 NDCUAQCXMGFGLC-DEOSSOPVSA-N 445.515 5.743 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1 170052292 ORKVQVGVQPQWKM-NRFANRHFSA-N 438.310 6.085 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc(C)c2)ccc1Cl 170145231 DYPJIPAPMLCFMG-QFIPXVFZSA-N 439.939 5.568 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(C(C)(C)C)cc1 170150240 OPZNIZNLPQVESZ-DEOSSOPVSA-N 427.544 6.126 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc(OC(C)C)c1 170153211 JWWSMMXJPHVLLE-RUZDIDTESA-N 443.543 6.005 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2cccs2)cc1C 170156294 MPHVTXWXHILSFS-QFIPXVFZSA-N 433.529 5.465 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccccc2)cc1 170227146 MMGYIUXHLVCBBM-NRFANRHFSA-N 448.316 5.540 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1ccc(Cl)cc1 170236205 KSPJKJNMKZJAHC-QFIPXVFZSA-N 439.983 6.324 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC)c2)[C@H]1c1ccc(Cl)cc1 170236620 RMLHTPQEIXTOSO-OAQYLSRUSA-N 427.928 5.507 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccc(F)cc2)c1 170239133 UPIOXWAQTDOEDL-QHCPKHFHSA-N 447.462 5.103 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)N(C)CCO3)[C@H]1c1ccc(C(C)C)cc1 170245261 HSRRBRGUOJGBMC-XMMPIXPASA-N 448.563 5.017 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1c[nH]c2ccccc12 170256105 SLZIKCUYWWPVAV-DEOSSOPVSA-N 446.547 5.725 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cccc(O)c1)c1cc2cc(Cl)ccc2o1 170264411 RSYMQBBJRPBSFL-NRFANRHFSA-N 437.879 5.313 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2ccc(F)c(F)c2)o1 170299348 WIVGCZIXCWCSPV-QHCPKHFHSA-N 445.421 5.802 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2sccc2C)c1 170314406 IUFMAMCGQDYKKH-AOMKIAJQSA-N 445.540 5.471 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccncc2)=C(O)C(=O)N1c1cccc(C(F)(F)F)c1 170406113 JCIUXTQCXLQGAX-QGZVFWFLSA-N 444.434 5.253 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]1c1cccc(Oc2ccccc2)c1 170455622 RHCDGKYFAGXECW-QFIPXVFZSA-N 437.536 5.215 30 10 IKEE CCOc1ccc(NS(=O)(=O)c2ccc(N=Cc3c(O)ccc4ccccc34)cc2)cc1 252460765 HZWPWNBDPDQBLB-UHFFFAOYSA-N 446.528 5.496 30 10 IKEE C=CCN1C(=O)/C(=C2\Sc3ccccc3N2C)SC1=Nc1ccc(Cl)c(Cl)c1 252626659 RCXMEQWTKYVIIY-POSJOTSYSA-N 448.400 6.154 30 10 IKEE C[C@]12CC[C@H]3[C@@H](CC=C4CC[C@H](c5cccc(Cl)c5)C[C@@]43C)[C@@H]1CC[C@@H]2/C(N)=N/O 253532841 CBVQECCIKPTDJK-JJVGPWBDSA-N 427.032 6.749 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1C12CC3CC(CC(C3)C1)C2 253559826 AAULXGCZBZUHMT-UHFFFAOYSA-N 436.625 5.280 30 10 IKEE O=[N+]([O-])c1ccc(-c2csc(=Nc3ccc(F)cc3)n2N=C2CCCCCCC2)cc1 254762884 SXAVSVOOAAFRSC-UHFFFAOYSA-N 438.528 6.445 30 10 IKEE CC(=NOCc1ccccc1F)c1cc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)c1C 254815028 ZFSFIYGJCCUBSE-UHFFFAOYSA-N 434.461 6.811 30 10 IKEE CC(C)(C)OC(=O)N1CCc2cccc(CNc3ccc(C#N)c(Br)c3)c21 312249469 MIYWLIOPUKBTKM-UHFFFAOYSA-N 428.330 5.230 30 10 IKEE Cc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(Br)cc2)cc1 526607990 BNXGHFAJADXEBV-JOCHJYFZSA-N 445.316 5.686 30 10 IKEE CN(C)c1ccc([C@@H]2C(c3cccc4ccccc34)=C(O)C(=O)N2c2ccccc2C#N)cc1 526609130 AFQGCJXMDXCLBT-HHHXNRCGSA-N 445.522 5.835 30 10 IKEE CC(C)Oc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)c1 526710471 OIPBYWRRNRCCJB-QHCPKHFHSA-N 447.918 5.910 30 10 IKEE CC(C)COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)cc2)cc1 526710863 UMKSPLJFKXHXKX-XMMPIXPASA-N 445.490 5.643 30 10 IKEE COc1cccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2cccc(F)c2)c1 526825985 PLUFWQWZCGKUEK-PKAZHMFMSA-N 446.551 5.386 30 10 IKEE C=CCCCCC[C@H](NCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 693694863 YMOKVLYDWIHSMW-OZXSUGGESA-N 429.649 5.270 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@@H]3C[C@@H](CN3Cc3ccccc3)C2)cc1 716630228 NYSIUXZMJQHXQC-MRCUYLHHSA-N 447.579 5.384 30 10 IKEE Cn1cc(C=NNc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c2ccccc21 1084121960 CKPNGTWMCSIRQU-UHFFFAOYSA-N 434.507 5.297 30 10 IKEE O=S(=O)(Nc1nccs1)c1ccc(N=Cc2cccc(OCc3ccccc3)c2)cc1 1084216782 CVTWAERTXWDGOQ-UHFFFAOYSA-N 449.557 5.274 30 10 IKEE CCOC(=O)C1=C(/N=C/c2c(C)c(Cl)c(C)c([N+](=O)[O-])c2O)S[C@H]2CCCC[C@@H]12 1088682580 PEPGOIDAHCTRTG-QLOLWDHESA-N 438.933 5.070 30 10 IKEE C=C(C)[C@@H]1CC[C@]2(C)CC[C@@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]12 1565535516 MQYXUWHLBZFQQO-LSMXOCPGSA-N 426.729 8.025 30 10 IKEE C(/C=C/c1ccccc1)=N/N=C(N/N=C/C=C/c1ccccc1)N/N=C/C=C/c1ccccc1 1614073903 HZUAMPDDPCIIEZ-HKMJXBNBSA-N 446.558 5.619 30 10 IKEE CN1C(=O)/C(=C/c2ccc(-c3c(Cl)cccc3Cl)o2)SC1=Nc1cccnc1 1772732303 WAKYCXZIIKCFST-UTQUROFUSA-N 430.316 5.882 30 10 IKEE C=CCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=Nc1nc(-c2ccccc2)cs1 1772734096 CPICSWYTDQTBTF-HOMYTQLHSA-N 448.529 5.508 30 10 IKEE N#Cc1c(NC(=O)Cc2ccc3ncccc3c2)oc(-c2ccccc2)c1-c1ccccc1 1859486063 KHKMEIZHMNCPEY-UHFFFAOYSA-N 429.479 6.215 30 10 IKEE CCCCCCOc1ccc(NC(=O)C(=O)/C=C/c2ccc(Br)cc2F)cc1 1860731579 WOXVYCNKPYLSTD-NTUHNPAUSA-N 448.332 5.768 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)[C@H](C)Oc1ccc(Cl)cc1 1861667535 MBXBUWMKVPGJNK-SIKLNZKXSA-N 437.024 5.355 30 10 IKEE CCCCCCCCNC(=O)[C@@H](C)NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1861717534 DOEVKTDDOHDQAN-CYBMUJFWSA-N 440.428 5.319 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(C(C)C)cc1 1862381095 ROJUBLVJZCWYKB-QKKBWIMNSA-N 446.374 6.494 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1cccc(Cl)c1 1862381349 XYQAAKAULOMLMT-BBATYDOGSA-N 438.738 6.024 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1c(F)cccc1Cl 1862384096 UYCAOOHCNIEZAX-INIZCTEOSA-N 428.674 5.384 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CCCCC2)c1 1862431301 DNJFKNIEIVQPGI-OAQYLSRUSA-N 425.912 5.260 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(Cl)cc1 1862432623 JAVZZMCOTCDJHR-RFVSGWPVSA-N 444.358 6.150 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc(OCC)c1 1862433615 GPYYAPFTDVESTH-OAQYLSRUSA-N 427.928 5.507 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCc2ccccc2)cc1 1862444619 CFQNZSZDRFHJII-XMMPIXPASA-N 445.946 5.723 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCCc3ccccc3)[C@H]2c2ccccc2)c1 1862486381 AMPOPOTWSLRLGE-SANMLTNESA-N 439.555 5.905 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccccc2F)c1 1862490308 SHFXLMGAPAACIG-HSZRJFAPSA-N 449.909 5.874 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1ccc(O)cc1 1862515794 VMHWMJVBOGGFRA-QHCPKHFHSA-N 437.536 5.340 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2cccc(Cl)c2)cc1 1862516889 ZORAFYYVCQNFIU-YCRPNKLZSA-N 427.928 5.506 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2ccccc2F)cc1 1862529856 KREKJOLEHHMZON-VWLOTQADSA-N 443.518 5.783 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@@H]2c2cccc(F)c2)cc1 1862530819 YMTHCEQCNGSIHV-XMMPIXPASA-N 445.490 5.045 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2cccc(C)c2)cc1 1862534562 VWLMYXGFLGKXRF-QHCPKHFHSA-N 431.557 5.440 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccccc1[N+](=O)[O-] 1862547061 LUQZOSZUNFVSBO-QHCPKHFHSA-N 448.519 5.098 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2cccc(C)c2)cc1 1862555506 WXVKDGHVXVXZTM-AVRWGWEMSA-N 440.543 5.479 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)c(Cl)c2)=C(O)C(=O)N1CCCCCO 1862580500 LCTNPFKEBQDVMA-FQEVSTJZSA-N 448.346 5.043 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(OCC)c1 1862582460 FGXMILJKONLCBM-IBGZPJMESA-N 432.303 5.156 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccccc2)cc1 1862615935 QKRFRXSEJATCNL-VWLOTQADSA-N 445.603 6.675 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862705604 CCJQUZOJQIQGEA-FQEVSTJZSA-N 448.346 5.771 30 10 IKEE N#Cc1cccc(N2C(=O)C(Nc3ccc(Cl)cc3)=C(c3ccc(Cl)cc3)C2=O)c1 1862798871 UVGUYKRMIIDOPQ-UHFFFAOYSA-N 434.282 5.262 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(F)cc3Cl)C2=O)cc1C 1862883357 IYVFMJBNYMOYGL-UHFFFAOYSA-N 445.881 5.364 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3cccc4c3CCCC4)C2=O)cc1 1862904122 OGBSVEZEUAWTGE-UHFFFAOYSA-N 433.511 5.142 30 10 IKEE O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(O)c2cc(F)cc(F)c2n1 1866499940 PAJLFCMKVZBSAJ-UHFFFAOYSA-N 436.258 5.509 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N(CCCC)CCCC)nn1-c1ccc(C)cc1 1870021106 GFRHNPMMKKOOGT-UHFFFAOYSA-N 441.664 6.671 30 10 IKEE CCCCCCCCCCn1cc(OC)c(=O)cc1CNc1ccc(OCCCC)cc1 1870998216 NQYGJBNQGZRWJY-UHFFFAOYSA-N 442.644 6.789 30 10 IKEE C#CCOc1cn(Cc2ccc(C)cc2)c(CNc2ccc(Cl)c(Cl)c2)cc1=O 1871009515 ZIBZAJCIYFGDHS-UHFFFAOYSA-N 427.331 5.136 30 10 IKEE C=CCn1cc(OCc2c(F)cccc2Cl)c(=O)cc1CNc1ccccc1C(C)C 1871089208 AMZRQUOYHDNFKQ-UHFFFAOYSA-N 440.946 6.141 30 10 IKEE Cc1ccc(CCN2COc3cc(C)c4c(c3C2)O/C(=C\c2ccc(F)cc2)C4=O)cc1 1871348208 YDPRNGRTMYRAMZ-OYKKKHCWSA-N 429.491 5.453 30 10 IKEE C[C@H]1CCCC[C@@H]1N1COc2ccc3c(c2C1)O/C(=C\c1c(F)cccc1Cl)C3=O 1871350725 RFHOCYFKQFJPEM-FYGHONKPSA-N 427.903 5.826 30 10 IKEE CCOc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN([C@H]2CCCC[C@H]2C)C4)cc1 1871351218 QFJGVOHOLZEDLV-LCYXVDTPSA-N 433.548 5.741 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871375604 UOMKGYCOUWWXPA-UCQKPKSFSA-N 434.875 5.503 30 10 IKEE Cc1c(OC(=O)c2cc3ccccc3oc2=O)ccc2c1O/C(=C\c1cccc(F)c1)C2=O 1871379533 UFEDJPSLHNBCPB-UUYOSTAYSA-N 442.398 5.076 30 10 IKEE COc1ccc(OC)c(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)c1 1871380638 ZDADTDDWUVAHSP-GMJUKHFMSA-N 446.430 5.078 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871388003 SWAVOZGLEBGWDU-AJRXITOCSA-N 426.468 5.867 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 1871411426 NAMCSDMOSPJLOK-SNNLMFDCSA-N 445.490 5.719 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccncc2)C3=O)c(C)c1 1871413197 BUNDDMYSRHBXJG-NLKUQUHMSA-N 428.488 5.029 30 10 IKEE Cc1c(OCc2cccc3ccccc23)ccc2c1O/C(=C\c1ccc(N(C)C)cc1)C2=O 1871434188 MFEHLANAGPNOQO-PKAZHMFMSA-N 435.523 6.409 30 10 IKEE Cc1cc(C)c(NC(=O)COc2ccc3c(c2C)O/C(=C\c2cccc(F)c2)C3=O)c(C)c1 1871458165 CTQAROJITTVTLT-QRVIBDJDSA-N 445.490 5.693 30 10 IKEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1cc(C)ccc1C 1872305351 XXUBBLXYFWYVSJ-OAQYLSRUSA-N 449.016 5.249 30 10 IKEE N#C[C@@H](C(=O)Cc1cc(Cl)ccc1Cl)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872760067 GMEOTMNOMHNAJI-IBGZPJMESA-N 441.383 6.415 30 10 IKEE COc1ccccc1-c1csc([C@@H](C#N)C(=O)COc2ccc(C)cc2C(C)(C)C)n1 1872762965 BBMWBHBAHSPHFM-SFHVURJKSA-N 434.561 5.680 30 10 IKEE Cc1cc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(F)cc3)cs2)cc(C)c1Cl 1872776058 HJPRAAYJOFPSGS-LJQANCHMSA-N 442.943 6.255 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)nc3)n2)c1 1872780823 MFWAZJFPOCGEPF-MRXNPFEDSA-N 427.913 5.146 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@@H](C#N)C(=O)Cc3ccc(OC)cc3)n2)c1 1872781087 OSBJYZZLENFCST-FQEVSTJZSA-N 436.533 5.035 30 10 IKEE N#C[C@@H](C(=O)C(c1ccccc1)c1ccccc1)c1nc(-c2ccc(Cl)s2)cs1 1872789778 UYNXYMNXBSZQRQ-KRWDZBQOSA-N 434.973 6.533 30 10 IKEE CC(C)c1cc(C(C)C)cc(N2CC(=O)C(c3nc4c(s3)CCc3ccccc3-4)=C2N)c1 1872795970 GUHMSZUBAGVHCN-UHFFFAOYSA-N 443.616 5.872 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2)C(=O)N(Cc2ccc(F)cc2)C1=O 1873159230 KPNQGDKUMNANBP-UHFFFAOYSA-N 436.571 5.836 30 10 IKEE COc1cc(/C=N/Nc2ccc(Br)cc2)ccc1OCc1ccccc1Cl 1873498914 QUHGUTIGDLCBHS-ZMOGYAJESA-N 445.744 6.136 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1cccc(F)c1)n2CCCC 1873621434 QJSSHHRTBSEMKD-UHFFFAOYSA-N 439.579 6.395 30 10 IKEE CCCSc1nnc(COc2ccccc2OCC)n1/N=C/c1cccc(OCC)c1 1874242907 DTYIJFUEHLYWRE-LFVJCYFKSA-N 440.569 5.039 30 10 IKEE Cc1ccc(OCc2nnc(SCCc3ccccc3)n2/N=C/c2cccnc2)c(C)c1 1874327999 RCSWKLXCNNCFNJ-WPWMEQJKSA-N 443.576 5.086 30 10 IKEE Cc1cccc(CSc2nnc(CCOc3ccccc3)n2/N=C/c2ccccc2)c1 1874344446 NDHSTNFQQBXZSS-NLRVBDNBSA-N 428.561 5.383 30 10 IKEE CCCSc1nnc(Cc2ccc(OC)cc2)n1/N=C/c1c(Cl)cccc1Cl 1874352154 UMHCKDOXLJMIHX-YDZHTSKRSA-N 435.380 5.569 30 10 IKEE COc1ccccc1/C=N/n1c(COc2ccccc2)nnc1SCc1ccccc1F 1874384252 GWTSHEICHKOICT-CVKSISIWSA-N 448.523 5.179 30 10 IKEE CSc1nnc([C@H]2CCCO2)n1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1874441981 OSMXBONYELZRGH-VUEBRRCKSA-N 444.560 5.466 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCCC3)n2/N=C/c2ccc(Cl)cc2)c1 1874455670 DVJFUNVMCJMKAU-AFUMVMLFSA-N 425.001 6.380 30 10 IKEE Clc1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccco2)c(Cl)c1 1874466691 WGLFJBAXHFVWCU-FSJBWODESA-N 429.332 6.019 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1ccc(OCC)c(OCC)c1 1874504738 XSZPFGOHLFOLJO-PCLIKHOPSA-N 438.597 5.511 30 10 IKEE Cc1cccc(C)c1NC(=O)CSc1nnc(C(C)C)n1/N=C/c1ccc(Cl)cc1 1874513356 UIZUTHGFKVKNCK-WYMPLXKRSA-N 441.988 5.285 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1c(OCc2cccc(C)c2)ccc2ccccc12 1874585765 DVSVRNNCUFVLPM-BUHFOSPRSA-N 436.551 7.249 30 10 IKEE C=C(C)COc1c(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Br)cc1OC 1874590116 UCPPAKCXPJGXTD-BQYQJAHWSA-N 429.354 6.234 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1OC 1874593753 AFVIMVZDOLMYKC-FMIVXFBMSA-N 445.515 5.234 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1OCCc1ccccc1 1874593977 LGUMSJRVGOULJM-YRNVUSSQSA-N 427.327 6.520 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1ccccc1C 1874602237 BELLVVKWQIVQQE-BUHFOSPRSA-N 443.499 6.115 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 1874606299 HBBBZYCQPQJTIC-RVDMUPIBSA-N 439.382 7.811 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2ccc(OC)cc2)cc1OC 1874609707 FQOMLSHLBYYKMQ-OQLLNIDSSA-N 445.515 5.180 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Cl)c1OCc1ccc(Cl)cc1 1874612095 BSGLVFIAGZUXNG-JXMROGBWSA-N 447.745 7.131 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OCc1c(Cl)cccc1Cl 1874617531 GOHJYUSTYCUVOW-DHZHZOJOSA-N 441.354 7.094 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OCc2ccccc2Cl)c([N+](=O)[O-])c1 1874619672 MJLHUKAQJLFNLP-CSKARUKUSA-N 437.879 6.040 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(C(F)(F)F)cc3)c2)cc1F 1874707060 MINRFKPXDBNCAJ-VZUCSPMQSA-N 444.380 5.968 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccc(N(C)C)cc2)c1 1874715616 XMFQADSBZGRXHH-MDWZMJQESA-N 449.934 5.838 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1OC(=O)c1ccccc1F 1874715829 NSHJAPRDXXUHLJ-SDNWHVSQSA-N 446.518 6.556 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Br)c(O)c(Br)c2)cc1 1874719196 MZCRKSIHAFBGIU-JXMROGBWSA-N 438.159 6.156 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)c(C)c3)c([N+](=O)[O-])c2)cc1 1875101229 SRQVKIQBDCVXCB-MDWZMJQESA-N 429.472 5.889 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)C(F)(F)F)c(OC)c2)cc1 1875105717 IOVIATYJYVHNIP-DHZHZOJOSA-N 440.845 6.055 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1)c1ccc(C(F)(F)F)cc1 1875120444 UKRWEQBSPJGEQC-KGVSQERTSA-N 432.344 6.099 30 10 IKEE C[C@H](Oc1ccc(Cl)cc1)C(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1 1875123247 YUKUOJDUYCATBF-MRJCOXNESA-N 441.310 6.262 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)cc3)c(OCC)c2)cc1 1875130683 NPTJQYKDVMKALN-MHWRWJLKSA-N 444.527 5.837 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)CCC)c(OCC)c2)cc1 1875137913 ALVFVPHUTHKURB-MDWZMJQESA-N 430.928 6.129 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)c(C)c3)c([N+](=O)[O-])c2)c1 1875139381 GCENEYSYNPPRBW-PKNBQFBNSA-N 443.499 5.873 30 10 IKEE Cc1cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2)ccc1[N+](=O)[O-] 1875148563 HSSHYPGATOFXDD-FRKPEAEDSA-N 443.499 6.316 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OC(=O)[C@H]1CCCO1 1875165453 YOCZBUOWCDSESB-YIEPXFBBSA-N 438.520 5.116 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N(CC)CCCC)n2CCOC 1875225465 HGQHXGCSDOLBKA-UHFFFAOYSA-N 431.625 5.112 30 10 IKEE N#Cc1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Br)s2)c1 1890776311 GXNYCIMDRCXDNC-UHFFFAOYSA-N 449.333 5.487 30 10 IKEE O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1892143853 ABIRJFLHUHVBEI-UHFFFAOYSA-N 431.254 5.553 30 10 IKEE N#Cc1csc([C@H]2[C@H](C(=O)O)CCN2C(=O)OCC2c3ccccc3-c3ccccc32)c1 1952915134 XTDXWAPEMVRTJR-NFBKMPQASA-N 444.512 5.016 30 10 IKEE CC[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 2014644540 IGXLCGYATHNUGE-FDDCHVKYSA-N 449.979 5.763 30 10 IKEE CC[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 2014647363 QRIQXCPCZYTFMA-MBSDFSHPSA-N 449.979 5.763 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)NCCC 2025158178 FTQBAQMRZHOYHZ-GMKZXUHWSA-N 430.633 5.601 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCC[C@H]1NC(=O)OC(C)(C)C 2031458884 OKVFLVJKSICLGS-NTKDMRAZSA-N 445.560 5.166 30 10 IKEE CCC1(NC(=O)OC(C)(C)C)CC(C#N)(N(C(=O)OC(C)(C)C)c2ccc(OC)cc2)C1 2035399253 FEXZSCNZUGZQTE-UHFFFAOYSA-N 445.560 5.166 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CC[C@@H](C)C[C@H]2OCc2ccccc2)c1 2043774609 MUHZBJSAWRCXRV-DBTWGZIYSA-N 434.580 6.404 30 10 IKEE Cc1ccc([C@H](n2nc(C(F)(F)F)c(/C=N/O)c2Br)C(C)(C)C)c(O)c1 2079042568 MTPLHMKPYVXUCE-HMAUVEFUSA-N 434.256 5.122 30 10 IKEE CC1(c2nn([C@H](c3ccc(C4CC4)cc3)C3CCC3)c(Br)c2/C=N/O)CC1 2079064019 RLCWIODEFOKWPB-BBMHEYIBSA-N 428.374 5.772 30 10 IKEE COc1ccc([C@H](n2nc(C(C)(C)C)c(C=NO)c2Br)C(C)(C)C)cc1O 2079979819 VLBRZQXQQMWGBF-KRWDZBQOSA-N 438.366 5.101 30 10 IKEE CC(C)(C)c1nn(C(F)(F)F)c(Br)c1-c1cccc(C(F)(F)F)c1F 2080911541 OPLYYKJUMRTUTH-UHFFFAOYSA-N 433.165 6.244 30 10 IKEE N#Cc1cnc2c(-c3cccc(I)c3)c(C3CCCC3)nn2c1Cl 2081222679 SECCZBLZCGZCAY-UHFFFAOYSA-N 448.695 5.184 30 10 IKEE C=CCCCCCCCC[C@@H](O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2086264093 OKVOFGZUNRVGNL-SHQCIBLASA-N 444.660 5.824 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(F)cc(C)cc1Br 2116827273 ANMUIMDUZUNADF-WMZOPIPTSA-N 429.374 5.407 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@](C)(C#N)[C@@H]1C[C@H]2[C@@H](C1)C2(C)C 2149728792 LZPJVJAIQYDKNZ-CPBBTPEFSA-N 433.390 6.155 30 10 IKEE CCCCCCCCCC(=O)[C@H](O)c1scc(Br)c1Br 2150562218 JNOKKDSQIJVZOX-AWEZNQCLSA-N 426.214 6.016 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)C1(C#N)C[C@H]2CCCCC[C@@H]2C1 2153401165 XYFWTRWAUQZYHC-IAGOWNOFSA-N 433.390 6.443 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(Nc2ccccc2Br)CC12CCCCC2 2155294503 JBVVELOIADEXTK-HXUWFJFHSA-N 434.378 5.467 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](CNc2cc(Br)c(C#N)cc2F)CC12CCC2 2173317202 JURBBSZNCZIGRB-ZDUSSCGKSA-N 438.341 5.051 30 10 IKEE COc1cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)ccc1Br 2192144707 PZLDJVFQSDPZGZ-KRWDZBQOSA-N 435.293 5.603 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)[C@H]1CN(Cc2ccccc2)C(C)(C)C1 2235724343 LYVIJVXXJRDWHF-GGAORHGYSA-N 425.414 5.079 30 10 IKEE CC(C)(C)OC(=O)NC[C@H](CC1CCCC1)C(=O)C#Cc1ccccc1Br 2235724629 VUZUKFAVYJSQBB-SFHVURJKSA-N 434.374 5.091 30 10 IKEE Cc1cc(NC(=O)OC(C)(C)C)cc(NC(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)c1 2255595798 KLHBUTSDXKYNKE-UHFFFAOYSA-N 430.354 5.153 30 10 IKEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N(Cc1ccccc1)C1CCCCC1 2255600081 KXYDPLLUKLPKQF-UHFFFAOYSA-N 439.430 5.331 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCCN(C(=O)OC(C)(C)C)CC2)c1 2259676192 RQVNTTDJAKOYPB-RUZDIDTESA-N 443.588 5.810 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cccc(Cl)c1Br 2272006361 KNWSMHCHCBHIAI-AEFFLSMTSA-N 445.829 6.003 30 10 IKEE CCOP(=O)(OCC)C(N=Cc1cccc(Cl)c1)P(=O)(OCC)OCC 2295156909 BUDXLQFQXZIUIT-UHFFFAOYSA-N 425.786 5.575 30 10 IKEE COc1ccc(C=C2SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)c(OC)c1 2296826791 RVGPTYYAVVIMHX-UHFFFAOYSA-N 444.556 6.129 30 10 IKEE Cc1cccc(CN2c3ccccc3C(=O)C(=CNc3cccc(C)c3C)S2(=O)=O)c1 2297334994 MOKIVHYYRCSKMZ-UHFFFAOYSA-N 432.545 5.098 30 10 IKEE O=C1C(=Cc2c[nH]c3ccccc23)SC(=Nc2cccnc2Cl)N1c1ccccc1 2314540483 QWNSCEXMBZOZKF-UHFFFAOYSA-N 430.920 6.025 30 10 IKEE CCc1ccc(C=C2SC(=Nc3cccc(C(=O)O)c3)N(c3ccccc3)C2=O)cc1 2314547241 FGHIDUACFLOFQM-UHFFFAOYSA-N 428.513 5.756 30 10 IKEE CCCCOc1ccc(C=CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1OCC 2314807871 FOLACHGPQQOLLQ-QGZVFWFLSA-N 438.593 5.974 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2N=Cc2ccc(C(C)C)cc2)c(C)c1 2320910582 GMMOXCFBRXQUQV-UHFFFAOYSA-N 447.608 5.509 30 10 IKEE Cc1cc(OCc2ccc(Cl)c(Cl)c2)cc2c1C(=O)C(=Cc1cccc(F)c1)O2 2321787458 OELHCWTWAUQXFZ-UHFFFAOYSA-N 429.274 6.636 30 10 IKEE Cc1cc(OCc2ccccc2F)cc2c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O2 2321796567 UYEYLCDOWUMLIV-UHFFFAOYSA-N 429.274 6.636 30 10 IKEE COc1ccc(C=C2Oc3cc(OCc4ccc([N+](=O)[O-])cc4)cc(C)c3C2=O)cc1OC 2321850100 FQOLPAZAGMFQGE-UHFFFAOYSA-N 447.443 5.116 30 10 IKEE Sc1nnc([C@@H]2CCCO2)n1N=Cc1ccccc1OCc1ccc(Cl)cc1Cl 2321934974 AKDDNPCYUNACIZ-SFHVURJKSA-N 449.363 5.186 30 10 IKEE CCN(CC)CCCCN1COc2ccc3c(c2C1)OC(=Cc1ccc(C(C)C)cc1)C3=O 2322122768 RCLGQCWJUSFGAR-UHFFFAOYSA-N 448.607 5.700 30 10 IKEE O=C1C(=Cc2cccc(Cl)c2)Oc2c1ccc1c2CN(C23CC4CC(CC(C4)C2)C3)CO1 2322238605 PLIRPGDONXBWAR-UHFFFAOYSA-N 447.962 6.077 30 10 IKEE COc1ccc([C@H](C)N2COc3cc(C)c4c(c3C2)OC(=Cc2ccccc2F)C4=O)cc1 2322244599 CBCZYBVHYLFNAH-KRWDZBQOSA-N 445.490 5.672 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2ccc(Cl)c(Cl)c2)cc1 2322457274 KDVOAVMSTPLGII-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2cc(C)ccc2C)c1OCc1ccccc1Cl 2322617183 UYASXRBVQNKBKC-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2cc(C)ccc2C)c1OCc1ccc(Cl)cc1 2322617196 YUFBQSFYBGAYHJ-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccccc2OCc2cc(C)ccc2C)c1 2322860067 AOQNEAKOMLJYOE-UHFFFAOYSA-N 430.544 6.576 30 10 IKEE C=C(C)COc1c(C=CC(=O)c2cc(C)c(OC)cc2C)cc(Br)cc1OC 2322997535 VQQVHYZPGXKPMF-UHFFFAOYSA-N 445.353 5.934 30 10 IKEE Cc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2F)C3=O)cc1[N+](=O)[O-] 2323331680 BFVMVMMCUGYJRL-UHFFFAOYSA-N 433.391 5.186 30 10 IKEE Cc1c(OC(=O)C=Cc2ccc(Cl)cc2Cl)ccc2c1OC(=Cc1ccco1)C2=O 2323461572 ADFMXMMEQGEGGC-UHFFFAOYSA-N 441.266 6.130 30 10 IKEE O=C(O)C=Cc1ccc(C(=O)Oc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1 2323603947 QOXKVMMVLNZJNG-UHFFFAOYSA-N 438.435 5.176 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OCC(=O)Nc1ccc(F)cc1 2323823824 PSHSQWKRTWKATL-UHFFFAOYSA-N 445.490 5.476 30 10 IKEE O=C1C(=CC=Cc2ccccc2)Oc2c1ccc(O)c2CN1CCC(N2CCCCC2)CC1 2324210040 MTMSETHDMPGIFJ-UHFFFAOYSA-N 444.575 5.015 30 10 IKEE Cc1ccc(OCCOc2ccc3c(c2)OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)cc1 2324537304 AALSVMFVZOENAV-UHFFFAOYSA-N 428.528 6.367 30 10 IKEE Cc1ccc(OCCCOc2cc(C)c3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)cc1 2324545570 BMIQURKYQIAYEV-UHFFFAOYSA-N 445.471 5.676 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3cccc(Cl)c3)c(OC)c2)cc1Cl 2324623634 NDEUDAUGQILXKL-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE CCCC[C@H](Oc1ccc2c(c1C)OC(=Cc1c(Cl)cccc1Cl)C2=O)C(=O)O 2324781260 BWJRVTDPHMVFHJ-SFHVURJKSA-N 435.303 5.940 30 10 IKEE COC(=O)c1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)cc1 2324825885 WGFAVFKATOWHBF-FQEVSTJZSA-N 446.528 5.112 30 10 IKEE COc1ccc(C)cc1NC(=O)COc1ccc2c(c1)OC(=Cc1sccc1C)C2=O 2325118536 IXQKJYRKPUUMQO-UHFFFAOYSA-N 435.501 5.007 30 10 IKEE CCCN(CCC)C(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc(OCC)cc1)C2=O 2325198633 JNWFPHMDJQORNB-UHFFFAOYSA-N 437.536 5.037 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(OCc3nc(O)c4ccccc4n3)c2C)C1=O 2325205939 UJRPIXVASLFTEL-UHFFFAOYSA-N 430.485 5.209 30 10 IKEE Cc1ccc(CCOc2ccc3c(c2)OC(=Cc2cc(Cl)cc4c2OCOC4)C3=O)cc1 2325367095 LIMRCLIXUHJZCD-UHFFFAOYSA-N 448.902 5.753 30 10 IKEE Cc1cccc(COc2ccc3c(c2C)OC(=Cc2ccccc2Br)C3=O)c1 2325720959 KWAVNFUQGUDCEI-UHFFFAOYSA-N 435.317 6.261 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)cc1F 2325748853 VSJIMXNUKGUZMG-UHFFFAOYSA-N 435.407 5.166 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1OC(=O)c1cccnc1 2325771561 DKYQYEWMWXGJGH-UHFFFAOYSA-N 428.271 5.512 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)cc(Br)c1O 2325795807 BNDAXYVQLRNNIW-UHFFFAOYSA-N 446.124 5.765 30 10 IKEE Fc1ccc(CSc2nnc(COc3cc(F)ccc3F)n2N=Cc2ccco2)cc1 2327424580 FYFRKMMWEVGKMX-UHFFFAOYSA-N 444.438 5.042 30 10 IKEE CCSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccccc1OC(C)C 2327950790 SFPOSQQDXNICNN-UHFFFAOYSA-N 428.989 5.498 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2cccc(C)c2)cc1 2328567177 AYSLJSSODQCNEK-UHFFFAOYSA-N 442.588 5.751 30 10 IKEE Cc1ccc(OCc2nnc(SCc3cccc(F)c3)n2N=Cc2ccc[nH]2)c(C)c1 2328888246 BWHOCLRIGHAEQM-UHFFFAOYSA-N 435.528 5.116 30 10 IKEE C=CCSc1nnc(Cc2ccc(C)cc2)n1N=Cc1ccc(Br)cc1 2330008056 CJMKQBUNQOABOX-UHFFFAOYSA-N 427.371 5.100 30 10 IKEE Cc1ccsc1C=Nn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1 2330653673 RWAZZBDZRIQSRH-UHFFFAOYSA-N 435.534 5.398 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3[nH]c4ccc(C)cc4c3C)cc2)cc1 2330952993 XFDIUGWUTOFQNY-UHFFFAOYSA-N 425.484 5.909 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)c3ccccc3)c([N+](=O)[O-])c2)cc1 2330970827 MVAUBLVNVQIQHZ-KRWDZBQOSA-N 431.444 5.209 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(Cl)cc3)c(OC)c2)cc1 2330989904 VPNMQYMPLLOZAL-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE Cc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2[C@@H]2CCCO2)cc1 2331016331 SIZMMKOHXNLNRG-IBGZPJMESA-N 430.936 5.405 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3c(OC)cccc3OC)cc2)cc1 2331188458 FWWLKXTZQYPSCD-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE Cc1cncc(C(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)c(Cl)c3)cc2Cl)c1 2331242572 OYWGRXVWVOXGLD-UHFFFAOYSA-N 446.717 6.466 30 10 IKEE CCCCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccc(C)cc2)cc1OC 2331281333 JXYKAOHZZSKINS-UHFFFAOYSA-N 431.326 5.758 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CCOC)c(Br)c2)cc1 2331305149 VFEVWTLYUVXNBO-UHFFFAOYSA-N 447.325 5.076 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(F)c3)c([N+](=O)[O-])c2)cc1 2331417258 AJWXBNANVONSEY-UHFFFAOYSA-N 447.462 6.147 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)c1cc(Cl)ccc1OC 2331539949 HDYMXKSJXCUZLF-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2cc(Cl)c(OC(=O)CC)c(OCC)c2)c1 2331682884 NIESNNDZXYQOSG-UHFFFAOYSA-N 446.927 5.748 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2ccccc2Cl)nnc1C(C)C 2331702196 YLCHZRZYKVHWNS-UHFFFAOYSA-N 428.989 6.018 30 10 IKEE Cc1cccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C(C)(C)C)ccc3C)cc2Cl)c1 2331792785 SPURDNUYIPGPQS-UHFFFAOYSA-N 446.974 7.370 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3OC)cc2)cc1C 2331835359 VBZDVXWXLHEQQL-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3F)cc2)c2ccccc12 2331864293 NBXBYYBKCJPEGB-UHFFFAOYSA-N 440.470 6.032 30 10 IKEE CCN[C@H](C#CC1(SC)CC1)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2336247152 YZPBTIOSUFLLLM-MRXNPFEDSA-N 439.419 5.346 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)c2ccc(Cl)cc2Cl)nc2c(C)cccc12 12240666 AFTUVJVBLKTCMB-UHFFFAOYSA-N 436.302 5.468 30 10 IKEE CC1(C)C[C@](C)(c2ccc(Cl)cc2)c2cccc3c2N1C(=O)/C3=N\c1ccc(F)cc1 12406309 BNXHYJGYFILIDX-MIGQBWSYSA-N 432.926 6.435 30 10 IKEE Cc1ccc(N2C(=O)C(C)(C)[C@@H](N3CCSCC3)/C2=N\c2ccc(Cl)cc2)cc1 15729244 DUBYTXIGAVLKOF-MEQARESCSA-N 428.001 5.169 30 10 IKEE O=C(c1ccccc1)c1cc(Br)ccc1/N=C/c1cc([N+](=O)[O-])ccc1O 27468517 ZJKOPURJNGGHLD-WSDLNYQXSA-N 425.238 5.045 30 10 IKEE Cc1ccc(C(=O)/N=C(/NCCc2c[nH]c3ccccc23)Nc2cccc(C)c2C)cc1F 32943457 MRVDOWZCNCGVGL-UHFFFAOYSA-N 442.538 5.673 30 10 IKEE COc1ccc([C@@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 34799365 QMPAZLQZGXTCEK-NFDUIPGLSA-N 425.484 5.186 30 10 IKEE O=C(/C=C/c1ccccc1F)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 35343033 NDDMEDSZBLIRFT-NTEUORMPSA-N 425.253 5.704 30 10 IKEE COc1ccc(/C(C)=C2\S/C(=N/c3ccncc3Cl)N(C3CCCCC3)C2=O)cc1 39864645 LJOYTUKNVXTGGW-GNDHVBMESA-N 441.984 6.070 30 10 IKEE Cc1ccc(-c2nc(N/N=C/c3cn(Cc4ccccc4)c4ccccc34)sc2C)cc1 40570751 SLIFYKSAQDBBHZ-LQKURTRISA-N 436.584 6.876 30 10 IKEE COc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCCc2ccccc2)C4)cc1 41646640 BXNINEVMJCBLOQ-XYGWBWBKSA-N 441.527 5.405 30 10 IKEE C=CCn1c(CNc2ccc(C)cc2)nnc1SCCC(=O)Nc1ccccc1Cl 59265694 TXHIXGKXGGKSSG-UHFFFAOYSA-N 441.988 5.159 30 10 IKEE Cc1ccc(/C=N/c2cc3c4c(c2)[C@@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)cc1 59506185 PTPQCPAIVCLWCS-BLHXJHLBSA-N 442.606 7.623 30 10 IKEE CCOc1cc(/C=N/c2c(C)nn(Cc3ccccc3)c2C)ccc1OCc1ccccc1 59858952 RBQPUIGSNPHFSS-RDRPBHBLSA-N 439.559 6.277 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OC(=O)c4cccs4)cc(C)c3C2=O)cc1 62883560 AGCCOUHGBIHRCH-STZFKDTASA-N 433.529 5.738 30 10 IKEE Cc1nc2c(C)cc(Br)cn2c1C(=O)Nc1scc(C(C)(C)C)c1C#N 71554174 SYRQZLWLHDNCTG-UHFFFAOYSA-N 431.359 5.197 30 10 IKEE CCOc1ccc(Br)cc1/C=C\C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 98027954 CDRHUFSCBSMTOQ-QGOGUYACSA-N 445.382 5.558 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2)cc1 100153953 PNLCUNLLLDDDNU-UHFFFAOYSA-N 439.408 6.469 30 10 IKEE CCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)S/C1=N/c1nc(-c2ccccc2)cs1 101130363 OWRFMKNOPPWCHN-LMCHCYRTSA-N 436.518 5.342 30 10 IKEE CCCCCCCCCn1c(CCCCCNC(=O)C(CC)CC)nc2ccccc21 102163925 KINCRFGPYDDCAH-UHFFFAOYSA-N 427.677 7.052 30 10 IKEE CCCCCCCCCCn1c([C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)nc2ccccc21 102214096 IGGZRFLHBJWWJI-QHCPKHFHSA-N 449.614 6.832 30 10 IKEE CC(C)c1ccc(NC(=O)C[C@@H]2S/C(=N/c3cccc(C(F)(F)F)c3)N(C)C2=O)cc1 103891062 BDVUPDOPKYNLCH-XHFLNROESA-N 449.498 5.419 30 10 IKEE C=CCn1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(C)c2cc(C(C)C)ccc21 169870113 NQENYQBTEOPOGS-UHFFFAOYSA-N 434.889 7.184 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/Nc2nc(=O)[nH]nc2C(C)(C)C)cc1Cl 169899410 XDQAXLIVSIKNFL-PCLIKHOPSA-N 448.011 5.691 30 10 IKEE COc1ccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccc(C)c(C)c2)cc1 169924382 YDCWUEPVOJKNNI-AREMUKBSSA-N 441.527 5.414 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccc(OC)cc2)cc1 169924600 RIEAMLIZOGBDIQ-VWLOTQADSA-N 441.527 5.657 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(F)c(C)c2)=C(O)C(=O)N1c1cc(C)cc(C)c1 169941194 SVKYIBNTAMXDRI-XMMPIXPASA-N 445.490 5.542 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccc(O)cc2)ccc1F 169960971 KNOHZGUIHBREAE-HSZRJFAPSA-N 431.463 5.239 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccc(C(C)(C)C)cc1 169975136 KYCTYLAQSLPDET-QHCPKHFHSA-N 446.547 5.080 30 10 IKEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccs2)cc1 169982166 USSVIWVXSLBIBI-JOCHJYFZSA-N 444.512 5.343 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccs1 169982553 RWOPPGBPPIHBJW-HXUWFJFHSA-N 439.920 5.189 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1cccs1)c1ccc(Cl)cc1 169987844 NXIOTPIHGZDRLT-GOSISDBHSA-N 431.847 5.463 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2C)cc1 170029963 KWNFQLWAVDDPEK-QHCPKHFHSA-N 431.463 5.316 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccc(F)cc2)cc1 170061899 RWJFSSMRWXATEI-RUZDIDTESA-N 429.491 5.490 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2sccc2C)cc1 170107633 YVCJSDKLPJIXGZ-FQEVSTJZSA-N 427.566 5.012 30 10 IKEE CN(C)c1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C2CCCC2)cc1 170129937 AYOQPHBNMGPSLN-VWLOTQADSA-N 440.543 5.427 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1cccs1)c1ccc(Br)cc1 170159195 RLXXRAUOFNTHNG-SFHVURJKSA-N 440.318 5.294 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccs2)c1 170161372 WITMEUURYPYOCI-JOCHJYFZSA-N 433.529 5.628 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3cc(C)cc(C)c3OC)=C(O)C(=O)N2CCC)cc1 170215606 XGPMHWWCXQBKHD-JOCHJYFZSA-N 437.536 5.089 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccccc2)cc1C 170228561 USDBTIKJVXXMRO-DEOSSOPVSA-N 438.483 5.048 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@H]1c1ccc(C(C)C)cc1 170245990 RWGVJKBIZHITAI-RUZDIDTESA-N 447.575 5.904 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2F)cc1C(C)C 170253533 PYFLSZLNTBHUMP-HSZRJFAPSA-N 437.511 5.479 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cccc(O)c1)c1ccc(Cl)c(Cl)c1 170261870 IQEKCIHPGJQRMJ-HXUWFJFHSA-N 446.330 5.610 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccccc1C 170272322 NPYNGXIFXDLCSF-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2sccc2C)cc1C 170315641 JFTCKJMFGYBHIM-JOCHJYFZSA-N 447.556 5.773 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2sccc2C)cc1Cl 170405679 SUQCQXYSQYNWGP-QGZVFWFLSA-N 445.949 5.563 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccccc2OC(C)(C)C)c1 170458068 GAAYQYUKYAZBHX-HSZRJFAPSA-N 445.515 5.544 30 10 IKEE Cc1cccc([C@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2nc3c(F)cc(F)cc3s2)c1 170461755 BSQUACUNMLCJPH-SFHVURJKSA-N 428.460 5.008 30 10 IKEE CC(=O)C(=NNc1ccc(C)cc1)Sc1nnc(-c2ccccc2)n1-c1ccccc1 254309446 OUNDRYKKCDOETG-UHFFFAOYSA-N 427.533 5.349 30 10 IKEE CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=NNc1ccc(N=Nc2ccccc2)cc1 254449989 WBNPBXALIXYIRU-UHFFFAOYSA-N 427.424 5.201 30 10 IKEE CC1(C)OB(c2ccc(CN(Cc3ccccc3)Cc3ccccc3)c(F)c2)OC1(C)C 309563596 BFSYYDLRJRHIMQ-UHFFFAOYSA-N 431.360 5.327 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cn(C)c3ccccc23)cc1 526516125 NPDQZBJFNNTVHP-VWLOTQADSA-N 435.483 5.116 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2cccc3ccccc23)[C@@H]1c1ccc(O)c(O)c1 526610431 NDTDRTYDYQVOSP-VWLOTQADSA-N 434.451 5.180 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1cccc(Oc2ccccc2)c1)c1ccccc1 526706787 AIVQAZFNCBYAIU-AREMUKBSSA-N 447.490 6.262 30 10 IKEE CCCc1nnc(SCc2ccccc2)n1/N=C\c1cc(Cl)c(O)c(OCC)c1 526800730 WPCYITDUCPYJQZ-QRVIBDJDSA-N 430.961 5.163 30 10 IKEE COc1cccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccc(C)cc2)c1 526805002 CVQPXSNNKSZEDG-IMRQLAEWSA-N 442.588 5.555 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1cc(Cl)c(O)c(Cl)c1 526807903 JNAQZXYRJVKULU-KSEXSDGBSA-N 435.380 5.726 30 10 IKEE Cc1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1C 586242321 XXBRQFUNCCOJCT-UHFFFAOYSA-N 445.371 5.877 30 10 IKEE C=CCN(C[C@H](NCCC)c1c(F)cc(Br)cc1F)C(=O)OC(C)(C)C 689349301 FZAHXKQLPFSGDD-INIZCTEOSA-N 433.337 5.191 30 10 IKEE CC(C)[C@@H]1CCCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 698453598 VBTCWLBEYGEFAF-UGKGYDQZSA-N 435.406 6.689 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)C[C@@H]1C 698483887 LGKRZDXCANGFIC-MHECFPHRSA-N 429.561 5.276 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 698823853 CIFNFOPVUFJNJP-QMHKHESXSA-N 449.979 5.621 30 10 IKEE COc1cccc(C=Nc2nc(-c3ccc(Cl)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)c1 1083924780 WGRSRDDYFFMEOS-UHFFFAOYSA-N 449.919 6.798 30 10 IKEE COc1ccc(CSc2n[nH]c(NN=Cc3ccccc3OCc3ccccc3)n2)cc1 1084225595 PQAYKFIIACRJLE-UHFFFAOYSA-N 445.548 5.131 30 10 IKEE C=CCN1C(=O)/C(=C\c2cn(Cc3c(F)cccc3Cl)c3ccccc23)SC1=S 1084419664 LPKIJHQDRCJMFK-RGVLZGJSSA-N 442.968 5.869 30 10 IKEE C=CCOc1ccccc1CN(C(=O)c1cccc2ncnc(O)c12)c1ccc(C)c(C)c1 1628569620 RBOUZXGZAGUMTH-UHFFFAOYSA-N 439.515 5.364 30 10 IKEE COc1ccc(-n2cc(/C=N\NC(=S)Nc3ccc(C)cc3)c(-c3ccccc3)n2)cc1 1857809091 PEZPSUNUCJAFIS-QQXSKIMKSA-N 441.560 5.177 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 1862392566 ANKQUMGYCBPGCR-JOCHJYFZSA-N 436.508 5.172 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(OCC)c2)cc1 1862392621 BNGZFGUNICMSAA-VWLOTQADSA-N 447.575 5.949 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@H]1c1c(F)cccc1Cl 1862396147 FCAIQLNOSVZYHI-OAQYLSRUSA-N 427.903 5.586 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1cccc2ccccc12 1862420247 GTJOMDCQRQNLBB-QHCPKHFHSA-N 435.470 5.742 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862444606 BWHVJDYWWIHZRL-JOCHJYFZSA-N 433.891 5.127 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc(Cl)c2)cc1 1862476816 OYACIGMUPFBQSY-XMMPIXPASA-N 445.946 5.778 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccc(F)cc2)c1 1862488859 JXVUTICWUFKVIB-XMMPIXPASA-N 445.490 5.230 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2cccc(Cl)c2)c1 1862489342 AFHAKOWNTBCYPO-DEOSSOPVSA-N 445.946 6.044 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(F)cc2F)c1 1862491393 RUASFURINTZXNJ-XMMPIXPASA-N 447.481 5.403 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(C(C)C)cc1 1862616466 RYIMYBWNDYRAQZ-DEOSSOPVSA-N 449.591 5.722 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc([N+](=O)[O-])c1 1862654679 PKQURQSAKKUINT-QRQCRPRQSA-N 430.460 5.125 30 10 IKEE COc1cc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C(C)C)cc(Cl)c1O 1862671151 KVHKNKCGWGLBCS-HXUWFJFHSA-N 443.927 5.164 30 10 IKEE CC(C)(C)c1ccccc1NC1=C(c2ccc(F)cc2)C(=O)N(c2cccc(C#N)c2)C1=O 1862768749 DKTIHQWPZDJVHL-UHFFFAOYSA-N 439.490 5.391 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(F)c(C)c3)C2=O)c1 1863462424 AMTDEHXRBCJSKU-UHFFFAOYSA-N 439.490 5.015 30 10 IKEE CCCCCCCCNC1=C(c2cccs2)C(=O)N(Cc2cccc(Cl)c2)C1=O 1863808097 LXYMBNVDJKXSLX-UHFFFAOYSA-N 431.001 5.632 30 10 IKEE Cc1ccc2c(c1)N(CCCC(=O)Nc1scc(C(C)(C)C)c1C#N)C(=O)C(C)(C)O2 1865769101 WIYNALVCLJPPOW-UHFFFAOYSA-N 439.581 5.149 30 10 IKEE CCCC[C@@H](NC(=O)C[C@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866737714 CMYUSNDMUBUJFG-IZZNHLLZSA-N 447.623 6.125 30 10 IKEE CCCc1nc(Nc2cccc(C#N)c2)cc(N2CCc3cc(C)ccc3[C@@H]2CC(C)C)n1 1868377877 CLRXXSMTJCDBTJ-VWLOTQADSA-N 439.607 6.503 30 10 IKEE CCCc1nc(Nc2ccc(C#N)cc2)cc(N2CCC(=O)c3cc(C(C)(C)C)ccc32)n1 1868400996 LJTHOGITIVXHTA-UHFFFAOYSA-N 439.563 6.066 30 10 IKEE CCCN(CCCN(C)C)c1cc(Nc2ccc(C#N)cc2)nc(-c2ccc(Cl)cc2)n1 1868442999 YKKFINKAKACDFL-UHFFFAOYSA-N 449.002 5.580 30 10 IKEE C[C@@H]1Cc2ccccc2N(c2cc(Nc3ccc(C#N)cc3)nc(-c3ccc(F)cc3)n2)C1 1868465847 LDHIFXXXCAESLK-GOSISDBHSA-N 435.506 6.228 30 10 IKEE CCCCCCOc1ccc(C(=O)Nc2c(C#N)nnn2-c2ccc(Cl)c(C)c2)cc1 1870143865 FYUWEIXQWVDAHQ-UHFFFAOYSA-N 437.931 5.312 30 10 IKEE CCCCCCCCn1cc(OCc2c(C)noc2C)c(=O)cc1CSC(C)(C)C 1870303004 ZHHOISOLKUSVNL-UHFFFAOYSA-N 434.646 6.424 30 10 IKEE C=CCOc1cn(CCCOCCCC)c(CNc2ccc(CCCC)cc2)cc1=O 1870810524 GZWOQBFNLQRBSB-UHFFFAOYSA-N 426.601 5.575 30 10 IKEE C=CCn1cc(OCCOc2ccc(Cl)cc2)c(=O)cc1CNc1ccc(C)cc1C 1870883290 TWAMZLHQFVFIPI-UHFFFAOYSA-N 438.955 5.374 30 10 IKEE CCCCCCCCCCn1cc(OC)c(=O)cc1CNc1cccc(C(F)(F)F)c1 1870998029 HYAKFSHMKARREU-UHFFFAOYSA-N 438.534 6.629 30 10 IKEE CN(C)c1ccc(/C=C2\Oc3c(ccc4c3CN(CCC3=CCCCC3)CO4)C2=O)cc1 1871349236 KNBDLAAGDQMSIX-XYGWBWBKSA-N 430.548 5.411 30 10 IKEE Cc1c(OC(=O)/C=C/c2ccc(C(C)C)cc2)ccc2c1O/C(=C\c1ccccc1F)C2=O 1871379303 AHQOVVCZVZFXAW-FUPWBYONSA-N 442.486 6.493 30 10 IKEE CCc1ccc(/C=C2\Oc3c(CN(CC)CCc4ccncc4)c(O)cc(C)c3C2=O)cc1 1871394375 UKYRTKFTOYBPNU-UQQQWYQISA-N 442.559 5.339 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)c1 1871410734 BCKKPPYNKWDFKA-ZKDCOOFMSA-N 447.918 5.979 30 10 IKEE Cc1cc(OCc2nc(O)c3ccccc3n2)cc2c1C(=O)/C(=C/c1cccc(Cl)c1)O2 1871430332 HMZXOTJPPDZSFX-NHDPSOOVSA-N 444.874 5.492 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871450110 BPHPOULKCHHQGE-SGMWPGOQSA-N 431.488 5.735 30 10 IKEE C=CCN([C@H](C(=O)Nc1cc(C)ccc1C)[C@@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872571860 MXSLTRNAQVEAAP-CYFREDJKSA-N 442.625 5.150 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccc(Cl)cc3)n2)cc1 1872765636 TTWWUXKESBZQBU-IERDGZPVSA-N 438.980 6.450 30 10 IKEE CCCCCCCOc1ccc(-c2csc([C@H](C#N)C(=O)CC3CCCCC3)n2)cc1 1872776369 OECSCORJJJTYPH-HSZRJFAPSA-N 438.637 7.306 30 10 IKEE CCCOc1ccccc1NC(=O)c1cccc(CSc2nc(C)c(C)c(C)c2C#N)c1 1872893487 XUJHIJRTZUYPLE-UHFFFAOYSA-N 445.588 6.212 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccccn2)=C(c2ccccc2C)C1=O 1873099932 FAUUUUFGBZIKFH-UHFFFAOYSA-N 433.596 5.400 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2C(C)(C)C)=C(c2ccc(-n3cccc3)cc2)C1=O 1873203175 CRSQMMUZCSQUNP-UHFFFAOYSA-N 425.532 5.153 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(Nc2ccccc2C#N)=C(c2cc(F)cc(F)c2)C1=O 1873316350 DRJXVIDDFYVHJL-FQEVSTJZSA-N 437.490 5.387 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(N(CC)CC)cc2)=C(c2cccc(Cl)c2Cl)C1=O 1873341263 BTWSOKCCKFBAFZ-UHFFFAOYSA-N 444.362 5.218 30 10 IKEE C=CCn1c(C(=O)Nc2ccccc2CC)cc2c(NCCc3ccccc3)ncnc21 1873607212 MNDDDUIBNZTVHD-UHFFFAOYSA-N 425.536 5.087 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(C)c(Cl)c1)n2C 1873620031 RWWPRGJWJXISKE-UHFFFAOYSA-N 427.980 5.955 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C(F)(F)F)c2)cc2c(NCCCCCC)ncnc21 1873638770 KJWOLMKEZKTSCF-UHFFFAOYSA-N 445.489 5.881 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3cccc(OC(C)C)c3)c(=O)oc2c1C 1873926741 POEWVQJKQOCZQF-UHFFFAOYSA-N 435.520 5.333 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccc(C)cc1 1874213817 GZYDVONPISXZEK-LFVJCYFKSA-N 426.973 5.412 30 10 IKEE CCCSc1nnc(CCc2ccc(OC)c(OC)c2)n1/N=C/c1ccccc1Cl 1874222458 RPIDIQFYIDEFAX-BUVRLJJBSA-N 444.988 5.118 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1cccc(OCC)c1 1874264604 GTPPWOOFKOXNAV-OEAKJJBVSA-N 430.961 5.294 30 10 IKEE C=C(C)CSc1nnc(CCOc2ccccc2)n1/N=C/c1ccc(OCCC)cc1 1874346480 REIHLAOANRUPJC-KOEQRZSOSA-N 436.581 5.239 30 10 IKEE C=CCSc1nnc(Cc2ccc(OC)cc2)n1/N=C/c1c(Cl)cccc1Cl 1874351714 GGYIPOWHMAVJCA-YDZHTSKRSA-N 433.364 5.345 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccccc3Cl)n2/N=C/c2cccs2)c1 1874365436 BQYHRMOHPHMDJH-ZMOGYAJESA-N 439.009 6.451 30 10 IKEE C(=N/n1c(CC2CCCCC2)nnc1SCc1cccc2ccccc12)\c1ccccn1 1874409410 WEPIZYZRTWWRHW-MTDXEUNCSA-N 441.604 6.124 30 10 IKEE CCc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCCc2ccccc2)cc1 1874413285 LSYKGNUMKDIANA-XIEYBQDHSA-N 432.618 5.710 30 10 IKEE CCCOC(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1ccc(Cl)cc1Cl 1874429838 FGYSJGULUZFGCP-FSJBWODESA-N 449.363 5.179 30 10 IKEE Oc1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2Cl)nnc1[C@H]1CCCO1 1874451006 PUZZLKKFZHXCKM-TYLRVVQJSA-N 449.363 5.317 30 10 IKEE Fc1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2ccc3c(c2)OCCO3)cc1 1874452531 ACSXOJSTDYAJTG-AFUMVMLFSA-N 438.528 5.021 30 10 IKEE CCCSc1nnc(-c2ccco2)n1/N=C/c1ccc(N(CC)Cc2ccccc2)cc1 1874467860 FZELTOTZJDGOSI-NLRVBDNBSA-N 445.592 5.949 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C(C)C)cc1 1874514776 KHMYARCVMABGSA-DHRITJCHSA-N 446.979 6.157 30 10 IKEE Fc1cccc(CSc2nnc(C3CC3)n2/N=C/c2cc(Br)ccc2F)c1 1874518166 FTWJJDNMVHCWES-AUEPDCJTSA-N 449.324 5.371 30 10 IKEE Sc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874564382 CAMUPDITSQXLPT-MFKUBSTISA-N 434.952 5.272 30 10 IKEE Cc1cccc(C)c1OCc1nnc(S)n1/N=C/c1cccc(Oc2ccccc2)c1 1874565354 WEXCTWWOBXZGDQ-MFKUBSTISA-N 430.533 5.437 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2nccs2)c(C)c1 1874578984 QTRXKTYENIKQSO-QPJJXVBHSA-N 426.925 5.327 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2ccc(Cl)cc2)cc1F 1874582238 FCYAESJXFGAZAA-XYOKQWHBSA-N 426.871 5.971 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1ccc2ccccc2c1 1874602579 TWIYRKGSGLXNDJ-RIYZIHGNSA-N 433.334 7.622 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2)c(C)c1 1874622042 IXLMAVVIBMGJGG-RQZCQDPDSA-N 441.571 6.515 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OCc1cc(C)ccc1C 1874629384 AAMMSHDKSHETRF-ZRDIBKRKSA-N 428.572 7.021 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OCC(=O)Nc2c(C)cccc2C)cc1 1874629852 YNKYDBZUMJCZCM-SDNWHVSQSA-N 443.543 5.842 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3cc(C)ccc3C)c2)cc1C 1874696192 MPEUZDOAZIGKOZ-DHZHZOJOSA-N 444.527 5.673 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OC(=O)CCOc1ccccc1 1874697409 WHPDPQSDEYVJDY-ACCUITESSA-N 436.891 5.619 30 10 IKEE Cc1cccc(C)c1OCC(=O)Oc1cccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c1 1874697788 ABNIOHFFIPDDIQ-NTEUORMPSA-N 431.444 5.092 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2)cc1OC(=O)C(c1ccccc1)c1ccccc1 1874701023 XWQRNYRJVINRBK-HTXNQAPBSA-N 448.518 6.329 30 10 IKEE COc1cccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3cc(OC)ccc3OC)c2)c1 1874706440 IFZIOOZPDMOWTE-JLHYYAGUSA-N 446.499 5.147 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OC(=O)Cc1ccc(F)c(C)c1 1874709283 DZGPNWKYDAJDNZ-RUDMXATFSA-N 440.417 5.465 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(Cl)c(Cl)c2)c1)c1ccc(F)c(F)c1 1874709489 KCEZSVQEUYBFJL-RUDMXATFSA-N 433.237 6.387 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C2CC2)c(Br)c1)c1ccc(-c2ccccc2)cc1 1875078557 QNLWMVSZVLCGJR-MKMNVTDBSA-N 447.328 6.328 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1ccccn1 1875082368 CJFIWDMTUJVNSZ-GZTJUZNOSA-N 449.506 6.263 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3cccc(OC)c3)cc2)cc1 1875102440 HOINVUQTZKZZEP-SFQUDFHCSA-N 430.500 5.528 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3cccc(C)c3)cc2)cc1C 1875107204 FQBYGFGYKSNVGH-RVDMUPIBSA-N 444.527 5.973 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3OC)c(OC)c2)cc1C 1875108941 NXCBEGDUTGERMW-FMIVXFBMSA-N 432.472 5.136 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1Br)c1ccco1 1875113583 OHIQTLJPAYMCLF-VQHVLOKHSA-N 431.669 5.811 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(CC)cc1 1875121921 NJEUKKKPTXCNKF-GXDHUFHOSA-N 434.919 6.416 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)cc2F)c(Cl)c1)c1ccc(Cl)cc1 1875126283 ZBKONYWHOOTNGP-XLUWADSXSA-N 433.237 6.387 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 1875144188 JERXJZFIBSQDCY-CSKARUKUSA-N 447.443 5.036 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2cnc(C)cn2)cc1 1875167859 LSDZIZJPVGUMJG-VMPITWQZSA-N 443.286 5.216 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)c1ccccc1 1875182753 SZPRZJDJJRNPPA-VAWYXSNFSA-N 430.500 5.744 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc(Cl)c1OC(=O)C(C)C 1875187947 KDBMLWABBZWSSS-CMDGGOBGSA-N 430.928 5.822 30 10 IKEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 1891337534 NJNYTYRNEJFQNJ-PSWAGMNNSA-N 431.539 6.287 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCC)c2cc(C)cc(Br)c2F)C1 1892694667 GTFGJCDYBPZMFU-QGZVFWFLSA-N 427.358 5.161 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)c(F)c1 1895029832 OGVHSFJYRQQAKN-MSOLQXFVSA-N 429.374 5.488 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@]1(C#N)N(CC1CC1)C(=O)OC(C)(C)C 1924938702 FEJJLWJVRVXIKK-MHECFPHRSA-N 433.593 5.001 30 10 IKEE C=C(CO)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]34C)[C@H]12 2054325754 ZNUAKACHFYTNFX-RRBMRGKSSA-N 442.728 6.997 30 10 IKEE C=C(c1ccccc1)[C@@H](NC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2076577303 WLVVJKXAKBEUSD-SHQCIBLASA-N 436.596 5.132 30 10 IKEE CC1(c2nn([C@H](c3ccc(C4CC4)cc3)C3CC3)c(I)c2C#N)CC1 2079043322 ZGSUBMKUORKONL-GOSISDBHSA-N 443.332 5.288 30 10 IKEE CCOc1ccc([C@H](C(C)C)n2nc(C3(C)CC3)c(C#N)c2I)cc1 2080106561 ZYYBXIDVMDKHNP-KRWDZBQOSA-N 449.336 5.055 30 10 IKEE CC(C)(C)OC(=O)N1CCCCC[C@@H]1CNc1cc(Br)cc(F)c1C#N 2107437733 BUNONBYCIDIUMF-CQSZACIVSA-N 426.330 5.051 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)c(C)c(Br)c1)NCC 2111272047 GMUYCKVMAUINOK-ROUUACIJSA-N 445.829 5.401 30 10 IKEE CC[C@@H]1CN(c2ccc(C#N)c(Br)c2F)[C@H](CC)CN1C(=O)OC(C)(C)C 2174808897 SZYSIHBZKBFQEI-HUUCEWRRSA-N 440.357 5.074 30 10 IKEE CN(C(=O)OC(C)(C)C)C1CCC(N(C)c2ccc(C#N)c(Br)c2F)CC1 2174811626 ABLARNAEWZKVCE-UHFFFAOYSA-N 440.357 5.074 30 10 IKEE C=CCC[C@@H](C)[C@H](NC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229139390 ZIAOYJXVLJDOAK-LZQZEXGQSA-N 425.411 5.075 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)cc1Cl 2230371869 QUTNOHJWEJFMEN-ROUUACIJSA-N 443.813 5.450 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2cc(Br)ccc2C#N)C[C@@H]2CCCC[C@H]21 2240973476 SRXABXMZSBXTJK-UCLAIMLFSA-N 434.378 5.301 30 10 IKEE C=C(C)CCCC[C@H](NCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2250128151 FOAPKCNZUMYDPQ-OZXSUGGESA-N 429.649 5.270 30 10 IKEE C=C(Cl)C[C@@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2252198386 SSRLOWVDLPGKGR-RUZDIDTESA-N 437.967 6.004 30 10 IKEE CC(C)(C)OC(=O)NC1C[C@@H]2CC[C@H](C1)C2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2257985489 XMKUDBJFNMXOES-MBRCDQNCSA-N 441.572 5.404 30 10 IKEE C=C(F)C[C@@H](OCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2261901478 DGJSUVZGVZRXBU-XMMPIXPASA-N 436.479 5.860 30 10 IKEE C=CCCC1([C@H](O)Cc2cc(Cl)ccc2Br)CN(C(=O)OC(C)(C)C)C1 2266213307 GCVFFRPSRCEVKB-QGZVFWFLSA-N 444.797 5.209 30 10 IKEE C=CCCC1(C(=O)Cc2cccc(Br)c2Cl)CN(C(=O)OC(C)(C)C)C1 2266281359 LYEXWPIXBGWPNM-UHFFFAOYSA-N 442.781 5.417 30 10 IKEE C=CCC1([C@H](NCC)c2cccc(Cl)c2Br)CN(C(=O)OC(C)(C)C)C1 2272014040 PEDQTTRILQQGEU-QGZVFWFLSA-N 443.813 5.566 30 10 IKEE CN[C@@H](C#Cc1ccccc1F)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2281363930 PDQZONBHGQYZNX-SFHVURJKSA-N 433.321 5.247 30 10 IKEE CC(C)[C@H](CCNC(=O)OC(C)(C)C)CC[C@H](N)C#Cc1ccc(Br)cc1 2296309636 YNHYMSGWUQZXPN-AZUAARDMSA-N 437.422 5.095 30 10 IKEE Cc1ccc(C(O)=C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 2296923990 LSMHGTKATUANNY-QHCPKHFHSA-N 429.516 5.507 30 10 IKEE C=CCC(CC=C)[C@H](NC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2301067108 WREOGKANSYEJFS-JYFHCDHNSA-N 428.617 5.187 30 10 IKEE CCc1ccc(N=C2SC(=Cc3ccccc3O)C(=O)N2c2ccc(CC)cc2)cc1 2313624125 NHURAULZIVKKES-UHFFFAOYSA-N 428.557 6.326 30 10 IKEE CC(=Cc1ccccc1)C(=O)Nc1cc(Cl)c([C@@H](C#N)c2ccc(Cl)cc2)cc1C 2313676465 IITAYKOUJYEQQQ-QFIPXVFZSA-N 435.354 6.999 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2Cl)Oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc21 2314438295 NYBUUKZGCHHNDT-UHFFFAOYSA-N 442.254 6.097 30 10 IKEE CCCCCCCCCCCn1c([C@H](C)NC(=O)C=Cc2ccccc2)nc2ccccc21 2314867356 LPLKXXNDHDZZDD-DEOSSOPVSA-N 445.651 7.458 30 10 IKEE CCC(CC)c1nnc(S)n1N=Cc1ccc(OC)c(OCc2ccccc2Cl)c1 2321901462 QKVQVVABSRYTBU-UHFFFAOYSA-N 444.988 5.594 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc3c2CN(CCc2c[nH]c4ccccc24)CO3)C1=O 2321911386 XSKOWLUVXPNRLV-UHFFFAOYSA-N 442.540 5.549 30 10 IKEE Sc1nnc(CCc2ccccc2)n1N=Cc1ccccc1OCc1ccccc1Cl 2321958793 OUHBYDXZWQOHDT-UHFFFAOYSA-N 448.979 5.467 30 10 IKEE O=C1C(=Cc2ccccc2OC(F)F)Oc2c1ccc1c2CN(Cc2cccs2)CO1 2321968157 JWSWYFJKHPWVAH-UHFFFAOYSA-N 441.455 5.318 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(Cl)cc1)O3)CN([C@H](C)c1ccccc1)CO2 2322092410 ZAHWHFCMOXLQSM-QGZVFWFLSA-N 431.919 6.178 30 10 IKEE Cc1ccccc1COc1ccc2ccccc2c1C=CC(=O)c1ccc(Cl)cc1Cl 2322388131 WIEWLDLIJGYWMG-UHFFFAOYSA-N 447.361 7.930 30 10 IKEE Cc1cccc(COc2ccc(Br)cc2C=CC(=O)c2ccccc2Cl)c1 2322436563 QPVQDRVZNIQSIC-UHFFFAOYSA-N 441.752 6.886 30 10 IKEE COc1c(Br)cc(Br)cc1C=CC(=O)c1ccccc1Cl 2322436650 MNRSFIFPCQNMRX-UHFFFAOYSA-N 430.523 5.770 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2cccc(C)c2C)cc1 2322549453 BIKIJBFMJWDLFY-UHFFFAOYSA-N 429.516 5.616 30 10 IKEE CCOc1c(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc(Br)cc1OC 2322585902 YNGGDAXBVVRRAQ-UHFFFAOYSA-N 430.125 6.059 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2ccc(Cl)cc2)cc1F 2322711355 FCYAESJXFGAZAA-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE CCOc1c(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc(Br)cc1OC 2322775279 BBTFNKAMELTBRY-UHFFFAOYSA-N 447.369 6.059 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1cccc2ccccc12)c1ccc(F)c(F)c1 2322781741 JMUWAKVQHYULPG-UHFFFAOYSA-N 434.869 7.247 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)c4cccc(Br)c4)c3C)C2=O)cc1 2322937487 DTUNUTLJXCIJGA-UHFFFAOYSA-N 449.300 5.901 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2Cl)cc1OCC(=O)Nc1ccc(F)cc1 2323087600 LTUHEUMDMRZPDX-UHFFFAOYSA-N 439.870 5.401 30 10 IKEE O=C(C=Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1)c1ccc2c(c1)OCO2 2323200496 ZKZACHZLCAPQHO-UHFFFAOYSA-N 427.283 6.197 30 10 IKEE COc1cc(C=NNc2nc3ccc(C)cc3[nH]2)ccc1OCc1ccc(C(C)(C)C)cc1 2323201961 MGMMVPFEAOTRNV-UHFFFAOYSA-N 442.563 6.202 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)c(C)c1C 2323248470 UZHPKAUXFFXGIZ-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE Cc1cc(OC(=O)c2cccc([N+](=O)[O-])c2)cc2c1C(=O)C(=Cc1ccc(C(C)C)cc1)O2 2323310306 QMCRMLCWGUYXGD-UHFFFAOYSA-N 443.455 5.862 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(OC)c2)ccc1OCc1ccc(F)cc1 2323460136 AITYHTQBAQTROB-UHFFFAOYSA-N 436.479 5.717 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccccn1)C2=O)c1cccc(Oc2ccccc2)c1 2323561070 SMQISEUIZDRHKD-UHFFFAOYSA-N 435.435 5.709 30 10 IKEE Cc1cc(OC(=O)CCc2ccccc2)cc2c1C(=O)C(=Cc1ccc(C(C)C)cc1)O2 2323724285 VNAWLBFBKSZOMJ-UHFFFAOYSA-N 426.512 6.273 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)cc1 2323791492 NMKJVQVPMNOSHY-UHFFFAOYSA-N 445.427 5.137 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(OC(=O)c3cccc(OC(C)C)c3)c2C)C1=O 2323812622 LVWRCOYPMHDMJC-UHFFFAOYSA-N 434.513 5.988 30 10 IKEE Cc1ccc(C)c(COc2ccc(C=CC(=O)c3ccc(Cl)c(Cl)c3)cc2Cl)c1 2323882139 FZYMXCLUIUHHLH-UHFFFAOYSA-N 445.773 7.739 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(Cl)ccc2OC)cc(OC)c1OCc1ccccc1 2324706898 YZFRXJSRLKOROT-UHFFFAOYSA-N 448.946 6.561 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(OCc4cccc(C(=O)OC)c4)c3C)C2=O)cc1 2324748342 WAYDTHCISXKBMQ-UHFFFAOYSA-N 444.483 5.376 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2sccc2C)C3=O)cc1 2325614056 BCQFZLNWYUMPAP-INIZCTEOSA-N 447.556 6.204 30 10 IKEE Cc1cc(C(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)CCCC4)c2)ccc1[N+](=O)[O-] 2325702031 DLLGDXJSSFHKMO-UHFFFAOYSA-N 441.483 5.897 30 10 IKEE COc1ccccc1CCC(=O)Oc1cccc(C=CC(=O)c2ccc3c(c2)CCCC3)c1 2325702064 LSDHGCBYZIQAIU-UHFFFAOYSA-N 440.539 6.008 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccc(C)cc3)c2)cc1OC 2325702374 MNZOZBRQJLGVDI-UHFFFAOYSA-N 446.499 5.065 30 10 IKEE Cc1cc(C)c(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2)C3=O)c(C)c1 2325736808 FPLVSSGEXUGCAT-UHFFFAOYSA-N 427.500 5.554 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C 2325771324 LYAKKSCJLLWMME-UHFFFAOYSA-N 442.555 6.725 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)CSc3ccccc3)c2)cc1C 2325771496 MREXEQZBCRMVAQ-UHFFFAOYSA-N 432.541 5.906 30 10 IKEE CCOc1ccc2ccccc2c1C=Nn1c(CC)nnc1SCc1ccc(F)cc1 2326241099 NVEWWGJTYUEEBF-UHFFFAOYSA-N 434.540 5.706 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1c(O)ccc2ccccc12 2326252156 WRHMDTKLIVPACW-UHFFFAOYSA-N 434.540 5.793 30 10 IKEE CCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc(OC)cc1OC 2326589196 LETLWATUMMYTBI-UHFFFAOYSA-N 446.576 5.228 30 10 IKEE CCOc1c(Cl)cc(C=Nn2c(C)nnc2SCc2ccc(C#N)cc2)cc1Cl 2326660910 QDPGGYSRIIASLB-UHFFFAOYSA-N 446.363 5.338 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CCCOc2ccccc2C)nnc1SCC=C 2327114997 VGIHHNFQUAVQQK-UHFFFAOYSA-N 448.592 5.323 30 10 IKEE CCCCC1CCC(c2nnc(SCCc3ccccc3)n2N=Cc2ccccn2)CC1 2328173583 WNOPHRAFLBFLLK-UHFFFAOYSA-N 447.652 6.354 30 10 IKEE CCCCC1CCC(c2nnc(SCC(=O)OC)n2N=Cc2ccc(Cl)cc2)CC1 2328179257 JYZBQGYDXKHWNS-UHFFFAOYSA-N 449.020 5.543 30 10 IKEE CC(C)c1ccc(C=CC(=O)[C@H]2C[C@@H](NC(=O)c3cc(Cl)cc(Cl)c3)CCN2)cc1 2328343787 WVJBCMQAAJWWQD-FCHUYYIVSA-N 445.390 5.250 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccccc2)c(C)c1 2328883623 CLISOARVFCOOGG-UHFFFAOYSA-N 446.551 5.788 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3C)n2N=Cc2ccccc2F)cc1 2329465529 HQNTUMAMVBOYLG-UHFFFAOYSA-N 444.579 5.994 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2C)n1N=Cc1cc(Cl)ccc1O 2329486363 NKMIPCDXTNSONQ-UHFFFAOYSA-N 426.973 5.281 30 10 IKEE Cc1cccc(CSc2nnc([C@@H](C)c3ccccc3)n2N=Cc2cccc(F)c2)c1 2330073510 KNDNBSGTJBZJAC-IBGZPJMESA-N 430.552 6.052 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3F)c(Cl)c2)cc1OC 2330718486 NJUVEAPOAZWNHI-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3C)c(Br)c2)cc1 2330747941 RMBYJMSXIOHDKT-UHFFFAOYSA-N 449.344 6.435 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)cc(Br)c1OC(C)=O 2330819887 XTAYWVMQYVEHMJ-UHFFFAOYSA-N 444.108 5.586 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)CCOC)c(OC)c2)cc1 2330824357 QGAHVKDAQUHGSH-UHFFFAOYSA-N 430.928 5.529 30 10 IKEE C=C(C)CSc1nnc(CC(C)(C)C)n1N=Cc1ccc(OCCC)c(OCC)c1 2330842467 PAZMAWDACSOAFO-UHFFFAOYSA-N 430.618 5.605 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3c(C)cccc3C)cc2)cc1C 2330855648 RFCYEVMNJNLAED-UHFFFAOYSA-N 430.500 5.501 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC(=O)c1cccs1 2331046385 NPDRAWQVWWNORW-UHFFFAOYSA-N 449.484 5.509 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Cl)c(OC(=O)CCCSC)c(OC)c1 2331051052 JJQDHXKDBHBDCC-UHFFFAOYSA-N 434.941 5.302 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)c1ccc(C)cc1 2331216432 PXWLEHGFRGTFAC-UHFFFAOYSA-N 430.500 5.744 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)CCCSC 2331324450 BZUHKHNVVJONQS-UHFFFAOYSA-N 446.996 6.300 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)cc(OC)c1OC(=O)CCCC 2331405109 RQFNNUNYIQFNEK-UHFFFAOYSA-N 436.504 5.187 30 10 IKEE COc1ccc(C=Nn2c(CC(C)C)nnc2SCc2ccc(Cl)c(Cl)c2)cc1 2331471976 WZQNRUKOBICEIZ-UHFFFAOYSA-N 449.407 5.967 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1 2331644554 JKGFXLOXSDKQHJ-UHFFFAOYSA-N 442.555 6.363 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2OC)ccc1OC(=O)c1cccs1 2331727112 DPYIBXKOFGSRGY-UHFFFAOYSA-N 438.501 5.279 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3F)cc2)c(OCC)c1 2331733721 DAZNCRYMVXGFGH-UHFFFAOYSA-N 434.463 5.738 30 10 IKEE Cc1ccc([C@H]2C3=C(C[C@H](c4ccc(Cl)cc4)CC3=O)Nc3nc4ccccc4n32)cc1 19630853 KCMFTPKDKRHZFW-SIBVEZHUSA-N 439.946 6.414 30 10 IKEE O=C1C[C@@H](c2ccccc2Cl)CC2=C1[C@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1N2 20886162 MQBBRXKIZNUAOY-LMKMVOKYSA-N 445.906 6.228 30 10 IKEE C/C(=N\Nc1nc(SCCC(=O)Nc2ccc(Cl)cc2Cl)n[nH]1)c1ccccc1 21081485 FLBNJOXWSCDKAE-WYMPLXKRSA-N 449.367 5.069 30 10 IKEE COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccc(C)cc2)cc1OC 28052521 HUMNHWCCBPONDM-HOYKHHGWSA-N 430.504 5.267 30 10 IKEE C=CCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2[C@H]1c1cccc(OCCCCC)c1 39910814 DACAJFFBEPXDGL-HSZRJFAPSA-N 431.532 5.710 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1ccc(C(C)(C)C)cc1 40080174 WOHLUEADZNXWRH-HSZRJFAPSA-N 435.564 5.680 30 10 IKEE CCCC/C(C)=N/Nc1nc(SCCC(=O)Nc2cc(Cl)ccc2Cl)n[nH]1 59891196 UWEMCZGRUNSELL-SSDVNMTOSA-N 429.377 5.210 30 10 IKEE Cc1nn2c3ccccc3n(C)c2c1C(=O)/C=C\c1ccc(-n2cnc3ccccc32)cc1 98001132 RCDAMWAUGBPBAE-SSZFMOIBSA-N 431.499 5.369 30 10 IKEE CCCCCCCCCCCn1c([C@H]2CC(=O)N(c3cccc(F)c3)C2)nc2ccccc21 101904992 VTNKPOQEPIENSP-QFIPXVFZSA-N 449.614 7.227 30 10 IKEE CCCCCCCCCCCCn1c(CCNC(=O)c2cccnc2)nc2ccccc21 102103080 RYORGLHRJHWLSW-UHFFFAOYSA-N 434.628 6.325 30 10 IKEE CCCCCCCn1c(CCCCCNC(=O)COc2ccccc2)nc2ccccc21 102174893 BVGMJVJDLBRAFV-UHFFFAOYSA-N 435.612 5.915 30 10 IKEE Cc1nc(N2C(=O)C(=O)/C(=C(\O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)sc1C 102514785 KHMLZOLRNZHSSP-VZCCSQPZSA-N 442.899 5.179 30 10 IKEE CCCCCCCC[C@](CC)(c1c(C)nn(-c2ccccc2)c1C)n1nnc2ccccc21 102997023 RQZCMYXERNCQSN-MUUNZHRXSA-N 443.639 7.138 30 10 IKEE CCCCCCCCCn1c(C)nc2sc(C)c(-c3ccc(OCC)cc3)c2c1=O 103944961 UAOLEXAZWGDBRN-UHFFFAOYSA-N 426.626 6.891 30 10 IKEE COc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)ccc1OCc1c(Cl)cccc1Cl 169879190 WQWNDBZURBFGSP-WYMPLXKRSA-N 446.290 5.935 30 10 IKEE COc1ccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2cccc(C)c2)cc1 169923086 YDNOWFBAAJKIDO-RUZDIDTESA-N 427.500 5.106 30 10 IKEE CCCOc1c(Cl)cc([C@@H]2NC(=S)N(C)C(C)=C2C(=O)c2ccccc2)cc1Cl 169935548 WQNNKKMKXHRAHZ-IBGZPJMESA-N 449.403 5.800 30 10 IKEE Cc1cccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)c1 169970290 IFOOKIGDIFCHOH-DEOSSOPVSA-N 431.919 5.750 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(C)c(C)c2)[C@H]1c1cccs1 169982510 FFSGASVTNWKRRL-JOCHJYFZSA-N 433.529 5.152 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccncc2)cc1 170026048 NIRBYWFZCDPBFM-OAQYLSRUSA-N 441.512 5.037 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccccc2)cc1 170048988 GUOJCMKJFABTFY-XMMPIXPASA-N 427.500 5.602 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccc(F)cc2)c1 170062474 LVKAQMYRFIZQBM-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccccc2C)c1 170088219 JABURAQBTWWORR-JOCHJYFZSA-N 435.426 5.065 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccco2)cc1 170090768 RDZZQVVGNSDNLT-NRFANRHFSA-N 435.907 6.013 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(O)cc2)c1 170130199 MXJWMKNKMQZGQD-QFIPXVFZSA-N 449.528 5.019 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2cccs2)c1C 170158802 IMASYKSWMJLDLT-HXUWFJFHSA-N 434.473 5.056 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1cccs1)c1ccc(Cl)cc1 170166988 KFCFOEPDMOHPKJ-IBGZPJMESA-N 427.884 5.319 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc(F)cc1)c1ccc2c(c1)CCCO2 170238372 CHMRSZPNRFGBGJ-HSZRJFAPSA-N 447.437 5.073 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(F)cc1 170243843 NKVYEQXTAZYHHU-IBGZPJMESA-N 436.310 5.901 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@H]1c1ccccc1F 170252536 YQLBCPRDMLFCGG-HXUWFJFHSA-N 431.891 5.256 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1C1CCCCC1 170275460 ZPSPLENNVKHHSC-XMMPIXPASA-N 433.548 5.693 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)C)cc2)[C@@H]1c1ccco1 170281087 RZLRXTBYVQZHCI-HSZRJFAPSA-N 447.487 5.203 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccco2)c1 170281559 HBWSSZWOHGEIGE-HXUWFJFHSA-N 441.842 5.254 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)[C@H]2c2ccco2)cc1 170287748 UIHWHRSZNYTIKC-OAQYLSRUSA-N 433.847 5.771 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@@H]1c1sccc1C 170319257 AXMGYRXMVSTDSL-LJQANCHMSA-N 447.984 5.877 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(OC(C)C)cc2)cc1 170393417 XMYVAJYEJWZVFD-DEOSSOPVSA-N 442.515 5.214 30 10 IKEE C=CCn1c(SCC(=O)NCc2ccc(Cl)cc2)nnc1-c1ccc2ccccc2c1 253579017 ZCBSWINCJAWFHA-UHFFFAOYSA-N 448.979 5.346 30 10 IKEE C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CNCC[C@H](c4ccc(C)cc4)c4ccco4)[C@H]3C[C@H]12 504318805 NWVOLYRDQMXQQP-NGDUFUAESA-N 447.619 6.014 30 10 IKEE biogenic CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(O)c(Cl)c2)cc1 526487208 XLXLHVJNYAAYSL-HSZRJFAPSA-N 446.890 5.373 30 10 IKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C#N)c1c(Br)cncc1Br 698407392 NSQUSTUBVDYJEF-MFKMUULPSA-N 447.171 5.207 30 10 IKEE CC1(C)CSC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Br)C1 698488963 NFTBXACVCLMALZ-IBGZPJMESA-N 425.392 5.616 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1ccc2c(c1)CCO2 710707200 LCNLSULXWZWQEN-GOSISDBHSA-N 429.314 5.390 30 10 IKEE COc1cc(Br)cc(C=Nc2ccccc2OCC(F)(F)C(F)F)c1O 1083986096 SWDUAHDRMZWJLB-UHFFFAOYSA-N 436.199 5.193 30 10 IKEE Clc1ccccc1COc1ccc2ccccc2c1C=NNc1nc2ccccc2[nH]1 1084324862 KHUZKZFEAOBHKS-UHFFFAOYSA-N 426.907 6.395 30 10 IKEE CCNc1nc(N)nc(C)c1C#CC(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1615946085 BJROUIPBBNJWPK-UHFFFAOYSA-N 430.396 5.166 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc3noc(-c4ccccc4)c3c2)SC1=Nc1nccs1 1772724571 JMZFVUIAIMUARZ-ALBAOUQLSA-N 444.541 5.741 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=Nc2nccs2)N1c1ccccc1 1772734118 MEKYHLAMMGQUCM-HRIUQOHOSA-N 432.357 6.259 30 10 IKEE CN1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=Nc1cccnc1Cl 1772735613 IJYKCKBGVJUJMC-BPHBXOPHSA-N 440.868 5.137 30 10 IKEE CC(C)(C)c1ccc(C=NN=C2S/C(=C/c3cccnc3)C(=O)N2Cc2ccco2)cc1 1772758162 PJNOLZRIJFFJPP-GEVCSAEHSA-N 444.560 5.479 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=Nc1ccc(O)cc1C(=O)O 1772761620 BSONVBUOFDHRET-VOBDFHKZSA-N 437.304 5.021 30 10 IKEE Fc1cccc(NC(=S)N/N=C\c2cn(-c3cccc(F)c3)nc2-c2ccccc2)c1 1857808745 KLFKRNUPXGDTAY-WGARJPEWSA-N 433.487 5.138 30 10 IKEE CC(C)c1ccc2oc(-c3cccc(C(=O)Nc4oc5c(c4C#N)CCCC5)c3)nc2c1 1859756383 OOLRQJJVOJIQDV-UHFFFAOYSA-N 425.488 6.214 30 10 IKEE N#Cc1cccc(NC(=O)c2cccc(NC(=O)CC(c3ccccc3)c3ccccc3)n2)c1 1860553020 HEQLDOWGTZNZHO-UHFFFAOYSA-N 446.510 5.366 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)/C=C/c1ccc(OC)cc1)[C@@H](C)CC 1861078980 UPWOSYJVLMWUHX-ZZBCCCRGSA-N 430.633 5.496 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)c1ccc(Br)cc1 1861335255 CUSFXQTUIAAOSD-LJQANCHMSA-N 425.411 5.214 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCSC)NC(=O)c1cccc(OCC(C)C)c1 1861760295 BRJZLXOWKDLJMD-QFIPXVFZSA-N 436.662 5.050 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2[C@H](C)CC)c1 1862436906 FDTOSFKDQAANIV-VFNWGFHPSA-N 427.928 5.506 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccc(Cl)c1)c1c(F)cc(F)cc1F 1862463303 GAJMEIOXLCSNIT-IBGZPJMESA-N 447.796 5.129 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCCCC2)c1 1862478176 AMCWRUIETVIAPP-DEOSSOPVSA-N 433.548 5.695 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2c(F)cccc2Cl)c1 1862494029 DCFLCQKNENKJJR-OAQYLSRUSA-N 445.918 5.099 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccccc2F)ccc1F 1862502155 SJYCRFMMUDMFCD-MWTRTKDXSA-N 433.454 5.613 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2cccc(C)c2)c1 1862508331 ZLPYCACZXBBUFC-DEOSSOPVSA-N 429.491 5.529 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(Cl)cc1 1862527196 RPPDATZRXHRHNW-KRWDZBQOSA-N 434.717 5.091 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccc(CC)cc2)cc1 1862528979 AOTCOFXGWFNJKF-AREMUKBSSA-N 445.603 6.503 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccc(OC)cc2)cc1 1862535221 CCOKSGUMEVJSKF-BVZFJXPGSA-N 441.527 5.597 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2cc(Cl)cc(Cl)c2)cc1 1862538426 MSVRJUVXWYVJQV-FQEVSTJZSA-N 432.347 5.790 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 1862538687 KCKQGOLSBKJCRV-XMMPIXPASA-N 449.547 5.177 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cccc([N+](=O)[O-])c1 1862546603 ATUWEHBRNISSER-QHCPKHFHSA-N 448.519 5.242 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C2CCCCCCC2)c1 1862625579 KCNBBDQHWZGEEL-XMMPIXPASA-N 447.531 5.415 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(F)cc2)cc1 1862674212 SWPQXIPVMNESOY-HSZRJFAPSA-N 433.454 5.094 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 1862676847 SFSXTPPYMCRSSD-OAQYLSRUSA-N 438.455 5.035 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862690939 GEIARGYTTSMBNG-XMMPIXPASA-N 433.548 5.730 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccccc1F 1862724799 UEFPQKFKRDAQQV-XMMPIXPASA-N 445.490 5.108 30 10 IKEE Cc1cc(C2=C(Nc3ccc(Cl)cc3C)C(=O)N(c3cccc(C#N)c3)C2=O)ccc1F 1863094595 BMHNASCNFYKPPF-UHFFFAOYSA-N 445.881 5.364 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C(C)C)cc2)=C(c2ccccc2F)C1=O 1863297120 KHWRBBTWJFUZBH-UHFFFAOYSA-N 436.571 6.502 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccccc3F)C2=O)cc1 1863297714 XWJOVZDATMEBSK-KRWDZBQOSA-N 439.490 5.213 30 10 IKEE Cc1ccc([C@H](C#N)NC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc1 1868030816 KAVCJPSRSQTKRE-FQEVSTJZSA-N 443.385 5.595 30 10 IKEE COCCc1nc(Nc2ccccc2C#N)cc(N2C[C@@H](C)Cc3c(C)ccc(C)c32)n1 1868261921 CYQUAWBCSHSUJZ-KRWDZBQOSA-N 427.552 5.228 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)/C=C/c2ccc(C(C)C)cc2)n(-c2ccc(C)cc2)n1 1870001016 KSEBNARZOGXYHB-SFQUDFHCSA-N 441.579 5.529 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N2CCc3ccccc3C2)nn1-c1ccc(C)cc1 1870067009 QTVAKVJWADSXLM-UHFFFAOYSA-N 445.611 5.828 30 10 IKEE CCCCC1CCC(C(=O)Nc2c(C#N)nnn2-c2ccc(Br)c(C)c2)CC1 1870154571 YKIYUJGMXUVOGA-UHFFFAOYSA-N 444.377 5.145 30 10 IKEE CCn1cc(OCc2cccc(F)c2)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870166631 CJNVCTSTBUVSKD-UHFFFAOYSA-N 437.540 5.071 30 10 IKEE CCCCCCCCn1cc(OCCCC)c(=O)cc1CSc1ccc(Cl)cc1 1870182592 NHVNRIPPMGYBJC-UHFFFAOYSA-N 436.061 7.333 30 10 IKEE C=CCOc1cn(CCCC)c(CSc2nc3ccccc3n2-c2ccccc2)cc1=O 1870243806 LAVDLQKDZUTACI-UHFFFAOYSA-N 445.588 5.844 30 10 IKEE CCCCCCCOc1cn(CCCCC)c(CNc2ccc(OCC)cc2)cc1=O 1870837481 ISGRGIUZQRTJMS-UHFFFAOYSA-N 428.617 6.399 30 10 IKEE C=CCn1cc(OCc2ccccc2C)c(=O)cc1CNc1ccc(OC(F)(F)F)cc1 1871079159 ATBDGXHESDAPPJ-UHFFFAOYSA-N 444.453 5.432 30 10 IKEE O=C(Cc1ccc(Cl)c(Cl)c1)Oc1ccc2c(c1)O/C(=C\c1ccccn1)C2=O 1871376919 LHZWBWAYUUDSSV-JAIQZWGSSA-N 426.255 5.153 30 10 IKEE Cc1cc(OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc2c1C(=O)/C(=C/c1ccc(F)cc1)O2 1871382592 YCEYOBXROMWXBO-AGWINUGJSA-N 445.402 5.277 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(OC)cc2)C3=O)CC1 1871383726 ROUXCULGVHYHOM-XYGWBWBKSA-N 434.532 6.213 30 10 IKEE Cc1c(OCCCc2ccccc2)ccc2c1O/C(=C\c1ccccc1Br)C2=O 1871399798 SUDULUXVDOPWET-KQWNVCNZSA-N 449.344 6.385 30 10 IKEE COC(=O)c1ccc(/C=C2\Oc3cc(OCCCCOc4ccccc4)ccc3C2=O)cc1 1871403596 OTXZRESHHZDNJH-UQQQWYQISA-N 444.483 5.327 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc(OCCCOc3cccc(C)c3)c2C)C1=O 1871404582 FSFAGXLKNIXXJZ-ITYLOYPMSA-N 444.527 6.166 30 10 IKEE Cc1ccccc1OCCCCOc1cc(C)c2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 1871405419 QVQRRWGMGJROEC-KSFSMOJCSA-N 440.539 6.714 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(C(C)C)cc2)ccc2c1O/C(=C\c1ccncc1)C2=O 1871435586 SXWHABCSLQODHM-UCQKPKSFSA-N 428.488 5.147 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O)Nc1cccc2ccccc12 1871452703 OSRANKHNKSKJIB-QFEZKATASA-N 439.442 5.613 30 10 IKEE Cc1cc(OCC(=O)Nc2cccc(Cl)c2)cc2c1C(=O)/C(=C/c1cccs1)O2 1871454516 OIGAEUNZRPJQRV-ODLFYWEKSA-N 425.893 5.344 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(ccc(OCc4cccc(C)c4)c3C)C2=O)cc1 1871455522 ROGWXHHXRWOOGQ-ONUIUJJFSA-N 427.544 6.345 30 10 IKEE CC(=O)Nc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1 1872768744 BECQQERLJWGBLR-HNNXBMFYSA-N 430.316 5.565 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1 1872770500 WNLHMJNPXBJMKQ-CZUORRHYSA-N 431.344 6.069 30 10 IKEE Cc1ccc(C)c(-c2csc([C@@H](C#N)C(=O)COc3ccc(Cl)cc3Cl)n2)c1 1872773379 ZVGIKABQKOCPSH-INIZCTEOSA-N 431.344 5.989 30 10 IKEE CCCCCCCCN1C(=O)C(NCC(C)C)=C(c2ccccc2Br)C1=O 1873070636 HQVDRYDMOJIDRC-UHFFFAOYSA-N 435.406 5.135 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCOCCCC)=C(c2ccccc2)C1=O 1873159367 QRXKGLDVHPVHAH-UHFFFAOYSA-N 442.644 5.704 30 10 IKEE C=CCN1C(=O)C(Nc2cccc(OC(C)C)c2)=C(c2ccc(Cl)c(Cl)c2)C1=O 1873187170 DMOJWUOMAVVUQZ-UHFFFAOYSA-N 431.319 5.159 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc3c(c2)OCCO3)=C(c2cccs2)C1=O 1873404941 CJOOUGSTDLERGF-UHFFFAOYSA-N 440.565 5.072 30 10 IKEE Cc1ccccc1CSc1nnc(C)n1/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1873501162 MVDOMOFTYITBPQ-YDZHTSKRSA-N 433.493 5.238 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(CC)cc2)cc2c(NCc3ccccc3C)ncnc21 1873619039 VCNQIXMHLQTIDT-UHFFFAOYSA-N 425.536 5.353 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccccc3C(F)(F)F)c(=O)oc2c1C 1873943519 WDDLBTQZIAZTAT-UHFFFAOYSA-N 445.437 5.565 30 10 IKEE O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2nc(C(F)(F)F)[nH]c2c1 1874181381 VRKFGVJSNSPJLW-UHFFFAOYSA-N 441.253 5.872 30 10 IKEE CCOc1ccccc1OCc1nnc(SC)n1/N=C/c1c(OC)ccc2ccccc12 1874239565 OPFYDAMJFCFKEQ-MFKUBSTISA-N 448.548 5.022 30 10 IKEE CCSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccc(N(CC)CC)cc1 1874267415 WQNPAZGPQPNPES-BUVRLJJBSA-N 444.004 5.351 30 10 IKEE CCCSc1nnc(CCc2cccc(OC)c2)n1/N=C/c1c(F)cccc1Cl 1874310837 PZQVMCXETQYVMD-ZVHZXABRSA-N 432.952 5.249 30 10 IKEE CCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874339749 JWOUQDWTSZMWMY-SSDVNMTOSA-N 425.772 5.823 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3)n2/N=C/c2cccc(Cl)c2)c1 1874402034 FKZHJJQXQCBVMZ-WPWMEQJKSA-N 447.007 6.200 30 10 IKEE Cc1ccsc1/C=N/n1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1 1874427123 RWAZZBDZRIQSRH-LPYMAVHISA-N 435.534 5.398 30 10 IKEE COc1ccc(OC)c(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2)c1 1874427913 IAFUZQJSRFPHJH-PCLIKHOPSA-N 430.533 5.137 30 10 IKEE Cc1ccccc1CSc1nnc(C2CCCC2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874452148 GMJUNMADNZXCID-YDZHTSKRSA-N 437.525 5.032 30 10 IKEE C=CCSc1nnc(C(F)(F)F)n1/N=C/c1ccc(OCc2ccccc2C)cc1 1874462103 MHSOVLNVXYGALY-DHRITJCHSA-N 432.471 5.345 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(C(F)(F)F)n1/N=C/c1ccc(Cl)cc1 1874463265 AERZJBPOIBVOAL-KTZMUZOWSA-N 449.260 5.917 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2ccccc2C)nnc1-c1ccco1 1874464501 MXOJYMYKUWALRP-PCLIKHOPSA-N 432.549 5.810 30 10 IKEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2C(C)(C)C)c1 1874483425 VIRAVMNWZBOFPV-AFUMVMLFSA-N 435.597 5.114 30 10 IKEE Cc1ccccc1/C=N/n1c(CC(C)C)nnc1SCC(=O)Nc1c(C)cccc1C 1874487472 FRPZRXOVSPTTGZ-AFUMVMLFSA-N 435.597 5.015 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1c[nH]c2ccccc12 1874508873 ZQEYMVALQVNTJS-JVWAILMASA-N 425.561 6.040 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2sccc2C)c1 1874511691 KMDGVFUJLGEBMQ-SSDVNMTOSA-N 427.599 5.001 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C(C)C)cc1 1874511810 BQYAHUCLNCBNEV-WGOQTCKBSA-N 440.588 6.284 30 10 IKEE CCOc1cc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CC2)ccc1O 1874519739 JSXPJSMPWKRIOJ-FSJBWODESA-N 428.945 5.088 30 10 IKEE CCOc1cc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CC2)ccc1O 1874520474 OPRNZPKTLJTFDA-FSJBWODESA-N 428.945 5.088 30 10 IKEE COc1cccc(/C=C/C(=O)c2cccc(Cl)c2)c1OCC(=O)Nc1ccc(C)cc1 1874577665 ZTNZIRAPKJRDQW-SDNWHVSQSA-N 435.907 5.571 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OC)c1OCc1c(F)cccc1Cl 1874581061 UWQVNSBFAKTPHU-VAWYXSNFSA-N 440.898 6.280 30 10 IKEE COC(=O)c1ccc(COc2c(/C=C/C(=O)c3cccc4ccccc34)cccc2OC)o1 1874583415 LZKQYRFLAQRDBA-FYWRMAATSA-N 442.467 5.703 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)c(C)c1C 1874586523 RBDWCJDASDNAGL-JXMROGBWSA-N 441.354 7.094 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C)c(C)c2)c1OCc1ccc(Cl)c(Cl)c1 1874587988 OLLRACWQTAMPML-ZRDIBKRKSA-N 441.354 7.094 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2cc(C)ccc2C)cc1Cl 1874591204 XXWCYUWJRRFVRF-RMKNXTFCSA-N 441.354 7.094 30 10 IKEE CC(C)COC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1cc(Cl)ccc1Cl 1874591298 DHRUCLQQSKSSAL-XVNBXDOJSA-N 441.738 6.121 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3ccc(Cl)cc3Cl)c2)cc1 1874595098 UQVZYBDSNAADEV-QDEBKDIKSA-N 443.326 6.486 30 10 IKEE CCCN(CCC)C(=O)COc1cccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)c1 1874601193 YICDUDCWBQDVCI-FYWRMAATSA-N 445.559 5.772 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCc3nc(O)c4ccccc4n3)c(Cl)c2)c(C)c1 1874615438 YGJUVXZWTDZGEV-DHZHZOJOSA-N 444.918 6.081 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OCC(=O)NC1CCCCC1 1874629811 WMENRKKHFGXLKE-ACCUITESSA-N 449.591 5.653 30 10 IKEE CCCCCCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N(CCC)CCCC 1874646903 ONFRQYWUEBFNDQ-RUZDIDTESA-N 441.660 5.985 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3cccc(/C=C/C(=O)c4cccc(Cl)c4)c3)c(C)c2c1 1874699462 WNXKGEQJCGJTIS-ZRDIBKRKSA-N 429.903 6.553 30 10 IKEE O=C(Oc1cccc(/C=C/C(=O)c2ccc(F)cc2F)c1)c1ccc(Br)cc1 1874699576 BDYHFTNVWKRDJD-NYYWCZLTSA-N 443.243 5.843 30 10 IKEE Cc1cc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(Cl)cc3)c2)ccc1Cl 1874700931 SYVWGRISZCRHHX-LFYBBSHMSA-N 441.310 6.182 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCCOc3ccccc3C)c2)c(C)c1 1874702408 PAESOEAYZWNTON-JQIJEIRASA-N 428.528 6.273 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3c(C)ccc(C)c3C)c2)c(C)c1 1874702593 ZFCBGFPIIJCJMU-WYMLVPIESA-N 428.528 6.109 30 10 IKEE Cc1cc(C(=O)/C=C/c2cccc(OC(=O)[C@H](C)Oc3ccc(Cl)cc3)c2)ccc1F 1874704123 XIDCXWSTFLURJC-SDTVSMOJSA-N 438.882 6.057 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)Oc3ccc(Cl)cc3)cc2)cc1 1875112689 OEICHCLQXDMXIR-RPDKKYPRSA-N 436.891 5.618 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC3CCCCC3)c(OC)c2)cc1 1875139207 XIRWSAZUTSBBEL-OQLLNIDSSA-N 436.548 6.256 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)CCOC 1875157018 PRBDCYHYJIDUOG-IZZDOVSWSA-N 430.928 5.700 30 10 IKEE COc1cccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3c(C)cc(C)cc3C)cc2)c1 1875182554 JIGVHHVDOIMCHY-JLHYYAGUSA-N 430.500 5.501 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)cc1C 1875187287 XACPCCFVOOBAOL-UXBLZVDNSA-N 430.456 5.156 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccco3)c(Cl)c2)c2ccccc12 1875190264 KKMVPJLKWMNWPZ-DHZHZOJOSA-N 432.859 6.210 30 10 IKEE CC1(C)C[C@](C#N)([C@@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CO1 1875631972 CZHIHBDGTUCRPW-XTEPFMGCSA-N 443.543 5.587 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)C1 1944696927 DLJFLQDVUOXBFC-VQIMIIECSA-N 449.979 5.621 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C 1949112053 PWIMRFQOTAVEKK-KDLAUNOPSA-N 427.545 5.028 30 10 IKEE CCN[C@@H](CC#CC1CCCCC1)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2035468085 HVUORYVKJMVFMJ-DQEYMECFSA-N 442.644 5.439 30 10 IKEE COc1cc(C(=O)C(=Cc2ccc(Cl)cc2)c2nc3ccccc3o2)cc(OC)c1OC 2040470036 BNCCOTVXLZZPAN-UHFFFAOYSA-N 449.890 5.931 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)[C@H]2CCCC[C@H]21 2058928101 DNYLETRAZWXCLV-DFIYOIEZSA-N 441.572 5.500 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@@H]2C2CC2)c1 2067978838 GOXMLLZBZVVSSX-CJFMBICVSA-N 441.572 5.418 30 10 IKEE CCC#CC[C@@H](NC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071347053 VMIKWMYSKRVNMT-NAKRPHOHSA-N 429.560 5.270 30 10 IKEE Cc1ccc([C@@H](n2nc(C3(C)CC3)c(C#N)c2I)C(C)(C)C)cc1 2079024407 CSKURUNPOVTFTJ-QGZVFWFLSA-N 433.337 5.355 30 10 IKEE CC(C)(C)c1nn(Cc2cc(C(F)(F)F)ccc2F)c(C(F)(F)F)c1Br 2079139739 AURZHMRHICVGIT-UHFFFAOYSA-N 447.192 6.168 30 10 IKEE CC(C)c1ccc([C@H](C2CC2)n2nc(C3CC3)c(C#N)c2I)cc1 2079929140 QKJNJQXEWWKAQN-LJQANCHMSA-N 431.321 5.360 30 10 IKEE CC(C)(C)c1nn([C@H](c2ccc(C(F)(F)F)cc2F)C(C)(C)C)c(Cl)c1C=NO 2079950875 KXORPIJXKCVGNQ-MRXNPFEDSA-N 433.877 6.436 30 10 IKEE Oc1c2c(nc3c(-c4cccc(C(F)(F)F)c4F)c(C(F)(F)F)nn13)CCCCC2 2081506206 XMRYDSZIRMQNBO-UHFFFAOYSA-N 433.327 5.548 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C=O)(Cc1ccc(Cl)c(Br)c1)C2 2110519123 CUMLNDHTOLVLIC-GJZGRUSLSA-N 442.781 5.392 30 10 IKEE CCCCC#CC[C@@H](N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2139061197 ZOOJDTHIAGRNOG-GGXMVOPNSA-N 443.587 5.789 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1cccc2c1COC2 2156055113 QLWKWDWHLZMXLE-IBGZPJMESA-N 429.314 5.486 30 10 IKEE CC(C)(C)OC(=O)N1CCCc2ccc(Nc3cc(Br)ccc3C#N)cc21 2162421045 AJTHWZYJJJFABO-UHFFFAOYSA-N 428.330 5.752 30 10 IKEE CC(C)(C)OC(=O)N1CCCc2ccc(Nc3cc(Br)cnc3C#N)cc21 2167617290 QCTHAWJPKSBEIH-UHFFFAOYSA-N 429.318 5.147 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCCC)c2c(F)ccc(Br)c2F)C1 2197748001 IRMODZCHTPDAOX-KRWDZBQOSA-N 445.348 5.382 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCC3(CC3)N(C(=O)OC(C)(C)C)C2)cc1 2220211990 ACNIUZSSWBHNBW-VWLOTQADSA-N 441.572 5.562 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCC2)C[C@@H]2CCCC[C@H]21 2246643964 AZEWYXQBYRYFNE-PDOGEWKWSA-N 433.593 5.238 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(Nc2cccc(Br)c2)C[C@H]2CCCC[C@H]21 2279689460 VHPOQQPADZBQHQ-FPDPHYFHSA-N 434.378 5.323 30 10 IKEE CCC[C@]1([C@H](O)C#Cc2cccc(Br)c2)CCCCN1C(=O)OC(C)(C)C 2296223537 AWCIOSOIFWKNRT-DENIHFKCSA-N 436.390 5.121 30 10 IKEE CC(C)(C)OC(=O)N[C@H](CC(=O)C#Cc1ccc(Br)cc1)C1CCCCC1 2296270379 ZBLIHZXKKHONHI-HXUWFJFHSA-N 434.374 5.233 30 10 IKEE O=C(C=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc2noc(-c3ccccc3)c2c1 2296878235 VEBUKCVSTGFGCS-UHFFFAOYSA-N 436.423 6.559 30 10 IKEE COc1ccc(C=C2SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc1C(=O)O 2297324948 PTZNNASOLAPDOE-UHFFFAOYSA-N 430.485 5.202 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@@H]3C[C@H]2C[C@H]3NC(=O)OC(C)(C)C)cc1 2308987640 YBUDTMGADNFLID-PSRXAIMNSA-N 441.572 5.322 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1cccc(Cl)c1Cl)C2=O)c1ccc(Cl)cc1 2314437718 UVLMZCACANFZSB-UHFFFAOYSA-N 445.685 6.482 30 10 IKEE CN1C(=O)C(=Cc2ccccc2OCc2ccccc2Cl)SC1=Nc1nccs1 2314541688 AWIFUTQWMIHOHE-UHFFFAOYSA-N 441.965 5.609 30 10 IKEE CC(C)(C)N(Cc1ccccc1)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(F)(F)F)n1 2317354344 NYOZZVSPBJYADY-UHFFFAOYSA-N 434.311 5.205 30 10 IKEE COc1ccccc1C=Nn1c(CCc2ccccc2)nnc1SCc1cccc(C)c1 2318574936 VVSUDSQBBOCTEE-UHFFFAOYSA-N 442.588 5.555 30 10 IKEE O=C1C(=Cc2ccccc2F)Oc2c1ccc1c2CN(CCc2c[nH]c3ccccc23)CO1 2321911439 GVZFJQJFTXJJMJ-UHFFFAOYSA-N 440.474 5.318 30 10 IKEE COc1ccc([C@H](C)N2COc3ccc4c(c3C2)OC(=Cc2sccc2C)C4=O)cc1 2322239884 RQTKERCSQUSNNO-INIZCTEOSA-N 433.529 5.594 30 10 IKEE CCc1ccc([C@@H](C)N2COc3ccc4c(c3C2)OC(=Cc2ccccc2F)C4=O)cc1 2322259999 YWJFXCQZZSJJBW-QGZVFWFLSA-N 429.491 5.917 30 10 IKEE CC(C)COC(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccc2c(c1)CCCC2 2322331016 PCMQCPUJVFKUPY-UHFFFAOYSA-N 442.555 6.193 30 10 IKEE CCCOc1c(C=CC(=O)c2ccc(Cl)cc2Cl)cc(Br)cc1OC 2322391141 SGIUQPAYABUTOY-UHFFFAOYSA-N 444.152 6.449 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC)c1OCCc1ccccc1 2322775278 BBHAKOGENUWVRS-UHFFFAOYSA-N 444.571 6.519 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccccc1OCC(=O)Nc1nccs1 2322922701 BLLQMMDOQLJJHX-UHFFFAOYSA-N 442.924 5.027 30 10 IKEE CCCOc1c(Br)cc(C=NNc2ccc(OC)c(Cl)c2)cc1OCC 2322926600 OGOKQNLPYOOVAR-UHFFFAOYSA-N 441.753 5.745 30 10 IKEE C=C(C)COc1ccc(Br)cc1C=CC(=O)c1cc(C(C)(C)C)ccc1C 2322952996 ACUHZZDGHBDDMV-UHFFFAOYSA-N 427.382 6.906 30 10 IKEE Oc1cc(-c2ccccc2)nc(NN=Cc2cccc(OCc3ccc(Cl)cc3)c2)n1 2323259314 LMKRUEAGAHVOAI-UHFFFAOYSA-N 430.895 5.528 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(OC(=O)C=Cc3ccc(C(C)C)cc3)c2C)C1=O 2323510766 LXHJBXQKCYUZLC-UHFFFAOYSA-N 444.552 6.723 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(Br)c2)cc(OC)c1OCC(=C)C 2323666284 NEQJUKWUBATFFO-UHFFFAOYSA-N 427.338 6.037 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Br)c(OC)c(Br)c1 2323701095 JBRXLNJAGGEQDQ-UHFFFAOYSA-N 426.104 5.125 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(Cl)c2)cc(OC)c1OCC(=O)OCC(C)C 2323770435 UQFHFCBJUZFEDJ-UHFFFAOYSA-N 442.939 5.551 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1c(C)cccc1C 2323802617 PLWVPVIBSSIRJD-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OCC(=O)NCc1ccccc1 2323865582 VMUAVYYEDUSKKO-UHFFFAOYSA-N 443.543 5.293 30 10 IKEE Cc1ccccc1COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1Br 2324187058 IZLLKYVGOXIJNR-UHFFFAOYSA-N 425.297 6.372 30 10 IKEE CCCCOC(=O)COc1ccc2c(c1C)OC(=Cc1ccc(N(CC)CC)cc1)C2=O 2324297902 MYKGWGYDOQWNSC-UHFFFAOYSA-N 437.536 5.180 30 10 IKEE CCOc1ccccc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1cccc(C)c1)C2=O 2324896949 NHBYWAYYRRDOSK-UHFFFAOYSA-N 443.499 5.336 30 10 IKEE CC(C)(C)c1ccc(C=CC(=O)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 2325502749 SBNSWEOQRZYFTM-UHFFFAOYSA-N 433.935 6.651 30 10 IKEE CC(C)c1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(F)c(F)c4)ccc3C2=O)cc1 2325514108 GDSPYFIEFKCFCI-UHFFFAOYSA-N 449.453 5.722 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4cccc5ccccc45)ccc3C2=O)cc1 2325707007 LUCSGQVCOQWRLH-UHFFFAOYSA-N 449.506 6.036 30 10 IKEE Cc1cc(OCC(=O)Nc2ccccc2F)cc2c1C(=O)C(=Cc1cccc(Cl)c1)O2 2325739254 PRRBWGDKKCLGHN-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE CCCOc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3cc(C)ccc3C)c2)cc1 2325740395 WRXKUHOLIZSWAE-UHFFFAOYSA-N 428.528 6.136 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(OCC)cc2)n1N=Cc1cccc(Cl)c1 2326660886 IAWTTZYWMCAZLQ-UHFFFAOYSA-N 442.972 5.460 30 10 IKEE CCCOc1ccccc1C=Nn1c(C)nnc1SCc1ccc(Cl)cc1Cl 2326698932 OWLISOXCBFFATA-UHFFFAOYSA-N 435.380 5.857 30 10 IKEE CCOc1cc(C=Nn2cnnc2SCc2cccc(F)c2)cc(Cl)c1OCC 2326725916 PRWVCAYEIUUDKD-UHFFFAOYSA-N 434.924 5.043 30 10 IKEE Cn1cccc1C=Nn1c(CCc2ccc(Cl)cc2)nnc1SCc1ccccc1 2328056629 GNYBQGHOKYLTSV-UHFFFAOYSA-N 435.984 5.230 30 10 IKEE C=CCSc1nnc(COc2c(C)cccc2C)n1N=Cc1cn(C)c2ccccc12 2328559204 CQEVAFDZYLAGMB-UHFFFAOYSA-N 431.565 5.126 30 10 IKEE CCCSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1ccc(Cl)c(Cl)c1 2328965113 OYAMCFRSOZKNFA-UHFFFAOYSA-N 447.435 6.371 30 10 IKEE Cc1cccc(CSc2nnc(CCOc3ccccc3)n2N=Cc2ccccc2O)c1 2329167521 DAPNQTNBBAWDKD-UHFFFAOYSA-N 444.560 5.088 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(Cc3ccccc3F)n2N=Cc2ccccc2)cc1 2329725792 IUJWCIDUOACDKD-UHFFFAOYSA-N 447.495 5.091 30 10 IKEE CCOc1ccc(C=CC(=O)Nc2ccc(Cl)c(NC(=O)c3cccc(C#N)c3)c2)cc1 2329809758 VVYDBMDKPVNRLH-UHFFFAOYSA-N 445.906 5.515 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc4ccccc4c3)cc2)c1 2330653459 FKJCWCBZBFMHCM-UHFFFAOYSA-N 436.507 6.283 30 10 IKEE COCCOCC(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1Cl 2330807564 DAOMLLWAYDCUIS-UHFFFAOYSA-N 443.710 5.111 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OC(=O)[C@@H](C)c1ccccc1 2331132479 GXBXBWPQHXKGBW-SFHVURJKSA-N 434.919 6.344 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OC(=O)c1sccc1C 2331172806 BJJAKEOPAOMJLT-UHFFFAOYSA-N 426.921 6.224 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OC 2331236539 CTWZRFUYRYRQQB-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE CC(C)Cc1nnc(SCc2ccccc2F)n1N=Cc1ccc(Cl)cc1Cl 2331455858 SZZQRXKBYSHTQP-UHFFFAOYSA-N 437.371 6.097 30 10 IKEE CC(C)Cc1nnc(SCc2cccc(Cl)c2)n1N=Cc1c(F)cccc1Cl 2331470890 UJPXGYLPECVXBF-UHFFFAOYSA-N 437.371 6.097 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3cccs3)cc2)cc1C(C)C 2331571493 RKNMZVXCTCCPDE-UHFFFAOYSA-N 434.557 6.233 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)cc2OC)cc1 2331717133 UZMZERCTGMWIOJ-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3[N+](=O)[O-])cc2)cc1C 2331835269 AKMYQJVYXVIWOE-UHFFFAOYSA-N 445.471 5.264 30 10 IKEE COC(=O)c1nc(-c2cccs2)oc1NN=Cc1ccc(OCc2ccc(C)cc2)cc1 2331931511 NVYZOJWUTNYUFC-UHFFFAOYSA-N 447.516 5.523 30 10 IKEE CC(C)C[C@H](COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339588928 PQCFLGSUQUCENZ-LJQANCHMSA-N 446.397 5.044 30 10 IKEE CN[C@H](C#Cc1nc(C)cs1)c1cc(Cl)c(NC(=O)OC(C)(C)C)c(Cl)c1 2363700444 ANSQNSVGWQFGMG-OAHLLOKOSA-N 426.369 5.418 30 10 IKEE CCCC(CS)(CCC)COCc1cc(I)ccc1Cl 2380378223 UMIMMURKVIAMRO-UHFFFAOYSA-N 426.791 5.978 30 10 IKEE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)Nc1ccc([C@@H](C)CC)cc1 20573305 DUJWDCQLBBQEQU-IBGZPJMESA-N 434.609 5.494 30 10 IKEE Nn1c(N/N=C/c2cccc3ccccc23)nnc1SCc1ccc(Cl)c(Cl)c1 20805671 DJDXYGPJFGIQRX-BHGWPJFGSA-N 443.363 5.190 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)c(Cl)c2)cc1 21224879 YIXMEADIHICXIO-AEFFLSMTSA-N 444.358 5.787 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccs2)cc1 21226763 MKBAHUZRQGVOGO-HFJWLAOPSA-N 430.573 6.516 30 10 IKEE CC(C)Oc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2F)cc1 21252700 BAEWEHMOTNBTJI-WHLCRQNOSA-N 442.534 6.592 30 10 IKEE CC(C)c1ccc(/C=C2\S/C(=N/c3ccncc3Cl)N(C3CCCCC3)C2=O)cc1 39864605 YVUFMZCMUWIPGH-GKOYHKHUSA-N 440.012 6.795 30 10 IKEE CCc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccc(C)cc2)C4)cc1 41648020 FCWGHBGBYBMQOD-QFEZKATASA-N 425.528 5.834 30 10 IKEE C=CCn1c([C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccco2)nc2ccc(OC)cc21 43255472 IJERZFBMIQRCEL-JOCHJYFZSA-N 440.503 5.019 30 10 IKEE C[C@H]1C/C(=N\OC(=O)Nc2ccccc2)c2ccc(OC(=O)Nc3ccccc3)cc2C1 59377635 GNFJTCKIVPNQOR-NSBXDVEOSA-N 429.476 5.833 30 10 IKEE CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)ON1C(=O)CCC1=O 97978652 MQJSQGPMHDYEOS-JLNKQSITSA-N 427.585 6.296 30 10 IKEE CCN1C(=O)C[C@@H](C(=O)Nc2ccc(C)c(Cl)c2)S/C1=N\c1ccc(Cl)cc1 100197046 UWEDZZVLLQVZPQ-DJUDNFEDSA-N 436.364 5.282 30 10 IKEE Cc1c(C(=O)N2CCc3ccccc3C2)oc2c1/C(=N\Nc1ccccc1)CC(C)(C)C2 101108998 QGKYXIQXEZNEDI-IADYIPOJSA-N 427.548 5.575 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S/C1=N/c1cccnc1Cl 101126239 IJYKCKBGVJUJMC-ZXMQTSGQSA-N 440.868 5.137 30 10 IKEE CCCCCCCCCn1c([C@H]2CC(=O)N(c3ccc(CC)cc3)C2)nc2ccccc21 102209846 LLGMSBZGHRLZFE-QHCPKHFHSA-N 431.624 6.870 30 10 IKEE CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nccs3)[C@H]2c2ccc(C(C)C)cc2)cc1 102904100 OHNABPLQJBPFML-AGGMBTAESA-N 448.544 5.292 30 10 IKEE Cc1cc(-c2cc(C(=O)N[C@H](C#N)c3ccc(F)cc3F)c3cnn(C(C)C)c3n2)c(C)o1 111030280 ISBYPYBCMPLTFX-JOCHJYFZSA-N 449.461 5.162 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(OC(C)C)cc1 169978894 ONEQGRWVXXBIKF-JOCHJYFZSA-N 425.500 5.381 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1cccs1)c1c[nH]c2ccccc12 169985266 PFJHFAANZKKBNB-HXUWFJFHSA-N 434.904 5.666 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1cccs1)c1ccc2ccccc2c1 169985513 YNLPUZQEMWEGCB-JOCHJYFZSA-N 445.927 6.338 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2c2ccccc2)cc1 170028746 UCBAPMQLGLFPDX-XMMPIXPASA-N 427.500 5.431 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1 170051930 GMRNUZFCWQCOAD-NRFANRHFSA-N 438.310 6.085 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2cccnc2)cc1 170067807 KEDVONUFIBFDIV-HSZRJFAPSA-N 446.934 5.637 30 10 IKEE Cc1ccc(C2=C(Sc3ccc(Cl)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170081250 UQMLBCKYDBOLCZ-UHFFFAOYSA-N 430.916 5.597 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(C)cc2C)=C(N2CCCc3ccccc32)C1=O 170095024 QQHKBWGIBKKTLN-UHFFFAOYSA-N 444.619 6.197 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc(OC)c2)cc1C 170119383 GQFIEGCRHOPGFL-DEOSSOPVSA-N 449.547 5.313 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(O)cc1)c1ccc2c(c1)CCCC2 170130269 LWDZXDAVASBSAX-QHCPKHFHSA-N 445.540 5.111 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccc(O)cc2)cc1 170133191 ZKGMXQZBKZTLGM-RUZDIDTESA-N 435.479 5.637 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2cccs2)cc1C(C)C 170163467 PBEZTECJBVJEDS-QFIPXVFZSA-N 448.544 5.054 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@@H]1c1ccncc1 170210941 FJBIRPFIVMIVPI-QHCPKHFHSA-N 436.552 5.372 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccc2)cc1C(C)C 170222733 YAGWNZOOBDKPNN-XMMPIXPASA-N 445.490 5.741 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2OCC)[C@@H]1c1ccccc1F 170252588 RASQMJPLJCHBDW-QFIPXVFZSA-N 441.499 5.002 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@H]1c1cn(C)c2ccccc12 170269483 CWJLTXNIGAQFDD-XMMPIXPASA-N 446.547 5.201 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(C)o2)cc1C 170298159 YVLJOMYDAHGREQ-OAQYLSRUSA-N 437.517 5.135 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2c(C)[nH]c3ccccc23)cc1C 170312358 XHQVMSHAHPRDOK-XMMPIXPASA-N 446.547 5.562 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(C(C)C)cc2)cc1 170360180 SMBHRWIFRIYMMU-QHCPKHFHSA-N 447.556 6.053 30 10 IKEE CC(C)[Si](C(C)C)(C(C)C)n1cc(Br)c(B2OC(C)(C)C(C)(C)O2)c1 206165088 QCPKIIHWTCNAOI-UHFFFAOYSA-N 428.296 5.573 30 10 IKEE COc1ccc(N=c2scc(-c3ccc4c(c3)OCCO4)n2N=CC2CCCCC2)cc1 254353641 ZSHRDXULXBJTMD-UHFFFAOYSA-N 449.576 5.643 30 10 IKEE CC(=NN1CCN(C2c3ccccc3-c3ccccc32)CC1)c1ccc(-c2ccccc2)cc1 254764829 PNEMWLJFJBSCRB-UHFFFAOYSA-N 443.594 6.465 30 10 IKEE O=S(=O)(c1ccc(N=Cc2ccc(OCc3ccccc3)cc2)cc1)N1CCCCC1 257353436 RCKZRYMIWNDWHU-UHFFFAOYSA-N 434.561 5.191 30 10 IKEE C=C1C[C@@]23CC[C@H]4[C@](C)(C(=O)O)[C@@H](OC(=O)/C=C/c5ccccc5)CC[C@]4(C)[C@H]2CC[C@H]1C3 257386681 BJQOPHXIKHSJOP-CONZGEGNSA-N 448.603 6.275 30 10 IKEE biogenic CC(=O)C1=C(C[S@](=O)c2ccccc2)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C 514278517 PHBOXEGOWHYFNO-KJAANLQPSA-N 436.617 5.432 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526488604 QERNIACTBQRKKS-DEOSSOPVSA-N 442.946 6.566 30 10 IKEE CCOc1ccc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526514508 DDWNFHMTZULEOP-HSZRJFAPSA-N 430.891 5.668 30 10 IKEE CCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1ccc(OC)c(O)c1 526805440 GPMJWWWVSDPLJC-MYYYXRDXSA-N 438.597 5.417 30 10 IKEE CCCOc1ccc(/C=N\n2c(CCC)nnc2SCc2cccc(Cl)c2)cc1 526811271 GSJJLJHDLQRONF-IWIPYMOSSA-N 428.989 5.847 30 10 IKEE CCOc1ccc(/C=N\n2c(C)nnc2SCc2c(F)cccc2Cl)cc1Cl 526817110 HIZJGSPFZBLSKD-RMORIDSASA-N 439.343 5.606 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1ccc(N(CC)CC)cc1 526826100 UKIJHJPLDLKLER-ONUIUJJFSA-N 439.604 5.781 30 10 IKEE Cc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2cccc3ccccc23)cc1C 586211347 QZOFFSQIEWGNBD-UHFFFAOYSA-N 426.541 5.724 30 10 IKEE C#CCCCCC[C@H](NCCC)c1cc(I)ccc1Br 686695040 GYNOJFIYDBGCAE-KRWDZBQOSA-N 448.186 5.678 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Cl)c1Br)NCC 719507930 WYENSSYJVOFFSX-DLBZAZTESA-N 445.829 5.483 30 10 IKEE CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)CCCCCC 725239119 WZHRXTKJGVJVTP-HHHXNRCGSA-N 440.753 8.903 30 10 IKEE Cc1ccc2c(c1)S/C(=C1/C[C@@H]3[C@@H]4CC[C@H]5CCCC[C@@]5(C)[C@@H]4CC[C@@]3(C)C1=O)S2 1074653299 YMDSWPZYGHRYGY-USOKEFBSSA-N 438.702 8.016 30 10 IKEE C=CCOc1ccc(CN(C(=O)c2ccc3c(c2)nc(O)n3CC2CC2)C(C)(C)C)cc1 1435953880 SNAQOHPQCWYNHT-UHFFFAOYSA-N 433.552 5.158 30 10 IKEE O=C1/C(=C\c2ccccc2F)SC(=NN=Cc2ccc(Cl)cc2)N1Cc1ccco1 1772758345 SAZNLMJUCAEFNY-VZSHRWNXSA-N 439.899 5.579 30 10 IKEE CCCCCCCCCSc1nc(Cl)c2c(n1)S[C@@H]1CN(C(C)=O)CC[C@@H]21 1857801316 TXRXRKFWAMTLEI-HZPDHXFCSA-N 428.067 5.783 30 10 IKEE CCCCCCCCCCN1C(=O)/C(=C\c2c(C)nc3scc(C)n23)SC1=S 1858586491 NKJUITHZCBXUBV-QGOAFFKASA-N 435.684 6.355 30 10 IKEE Cc1ccc(-c2cc(C(=O)Nc3ccccc3C#N)nn2Cc2ccccc2Cl)cc1C 1859396537 PLZXMHCUYKPCPW-UHFFFAOYSA-N 440.934 5.993 30 10 IKEE CC(C)(C)c1csc(NC(=O)[C@@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)c1C#N 1860652668 JZGICYPDEJCJGH-OAHLLOKOSA-N 429.973 5.062 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)c1cccc(OCC(C)C)c1 1861761330 NOTMBJTZPLUZPZ-AREMUKBSSA-N 432.649 5.877 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cccc(C)c1 1861808252 PUKBPYXNXDVKLH-VWLOTQADSA-N 438.612 5.299 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccc(Oc2ccccc2)c1 1862254900 LJGJOKGKMULRKC-AREMUKBSSA-N 440.543 5.021 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(CC)cc2)cc1 1862390713 KOILKQIBTUBICX-NOZRDPDXSA-N 447.575 5.349 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(O)cc1 1862411350 FOTHLJIPLSBSRG-PEBXRYMYSA-N 435.426 5.010 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2ccccc2C)cc1 1862475850 VXFQEYARUYIPAH-RUZDIDTESA-N 425.528 5.699 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1 1862483619 GGJACCZBCVUMBS-VWLOTQADSA-N 439.511 5.315 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2cccs2)c1 1862493791 XZPLBUBWCJSYGZ-QHCPKHFHSA-N 447.556 5.542 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1)c1ccc(Cl)c(Cl)c1 1862580738 QUVSWRNDFPGXHF-NRFANRHFSA-N 438.310 5.772 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2cccc(C)c2)cc1F 1862636498 IRXQOXDSVCWBAQ-DEOSSOPVSA-N 445.490 5.230 30 10 IKEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(C(C)(C)C)cc1 1862654311 YXLKFAKGFLNAJB-OSPHWJPCSA-N 443.543 5.096 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2ccccc2)cc1 1862659955 GWONTGONYQEZIB-SANMLTNESA-N 439.555 6.021 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(Cl)c1 1862744498 ODPOYCSVLOFOPV-GOSISDBHSA-N 449.290 5.280 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1Cl 1862759957 CAASBJRKDNQDKH-GOSISDBHSA-N 449.290 5.136 30 10 IKEE COc1cccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3cccc4ccccc34)C2=O)c1 1862840642 YWXVCOTZNQIZKX-UHFFFAOYSA-N 445.478 5.117 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccccc2)=C(c2ccccc2Cl)C1=O 1863440525 MYXQKGRHBOFRAK-UHFFFAOYSA-N 438.999 6.673 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1cccc2c1C(=O)N(C)C2=O 1866030052 WJVHEUPRMIORNQ-UHFFFAOYSA-N 442.644 7.112 30 10 IKEE CCCc1nc(Nc2cccc(C#N)c2)cc(N2CCc3cc(C)ccc3[C@H]2CC(C)C)n1 1868377875 CLRXXSMTJCDBTJ-RUZDIDTESA-N 439.607 6.503 30 10 IKEE N#Cc1ccccc1Nc1cc(N2CC[C@@H](c3ccco3)C2)nc(-c2ccccc2Cl)n1 1868419815 WSNRHFFYRJXEQU-GOSISDBHSA-N 441.922 5.999 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)c1ccc(-c2cc3ccccc3[nH]2)cc1)c1ccccc1 1868912512 LDGBXIZUFIHQGY-MHZLTWQESA-N 449.554 5.507 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N2CCC[C@H](C)C2)nn1-c1ccccc1Cl 1869990646 BKYXIBKKXCGDAJ-SFHVURJKSA-N 432.012 5.846 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)Nc2ccc3ccccc3c2)c(=O)cc1C 1870090662 XEILJVMSSCYCTL-UHFFFAOYSA-N 448.607 6.468 30 10 IKEE CCCCCCCCn1cc(OCc2c(F)cccc2Cl)c(=O)cc1CSCC 1870174627 PYTPMRJFCFYWCT-UHFFFAOYSA-N 440.024 6.833 30 10 IKEE C=CCn1cc(OCC(=O)Nc2c(C(C)C)cccc2C(C)C)c(=O)cc1CSCC 1870197258 BHYGIINIPHHKCX-UHFFFAOYSA-N 442.625 5.552 30 10 IKEE C=CCOc1cn(CCc2ccc(C)cc2)c(CNc2cc(Cl)cc(Cl)c2)cc1=O 1870809414 BHTRIONHWRDZEF-UHFFFAOYSA-N 443.374 5.883 30 10 IKEE C=CCOc1cn(CCCOCCCC)c(CNc2ccc(C(C)(C)C)cc2)cc1=O 1870810458 DGNIDARMXJYINF-UHFFFAOYSA-N 426.601 5.530 30 10 IKEE CCCCCCCCn1cc(OCC(=O)N(CC)CC)c(=O)cc1CNc1ccccc1 1871083313 HXEBCPOOYMEALM-UHFFFAOYSA-N 441.616 5.068 30 10 IKEE CCCCCCCCCCN=c1[nH]c(Nc2ccc(N(CC)CC)cc2)ncc1[N+](=O)[O-] 1871310165 NFOJVWSEDCRCCZ-UHFFFAOYSA-N 442.608 5.949 30 10 IKEE CCCOc1ccccc1/C=C/C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 1871375942 LCRKASLKPABKOT-NCEOBYAFSA-N 444.458 5.850 30 10 IKEE Cc1cc(O[C@H](C)C(=O)Nc2cccc(Cl)c2C)cc2c1C(=O)/C(=C/c1ccccc1)O2 1871407766 QLCFMKYWHBWASO-SUVVMJBMSA-N 447.918 5.979 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(O[C@@H](C)C(=O)Nc4cccc(C)c4C)c3C)C2=O)cc1 1871413491 HZIRPHMDDXFIEN-FXONECCMSA-N 441.527 5.942 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2)C3=O)cc1 1871450493 HDRIYEWZROJRJW-SDPDQUOZSA-N 441.527 6.142 30 10 IKEE CCc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871454771 WYDPDNMQJZGGKR-UCQKPKSFSA-N 447.918 5.845 30 10 IKEE C=CCN([C@H](C(=O)Nc1cc(C)cc(C)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1871996844 HDYUQOUGEQSKLJ-AVRDEDQJSA-N 449.016 5.187 30 10 IKEE C=CCNC(=O)c1ccc2nc(-c3cccc(OC)c3OCc3cccc(Cl)c3)[nH]c2c1 1872731485 WUPKKLWQXWRNDJ-UHFFFAOYSA-N 447.922 5.387 30 10 IKEE CN(C)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1[N+](=O)[O-] 1872761933 ZICQDFWGRRUEFK-LJQANCHMSA-N 446.532 5.153 30 10 IKEE Cc1cc(OCC(=O)[C@H](C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc(C)c1Cl 1872763222 HGMKPHDPQMGNBZ-KRWDZBQOSA-N 441.896 5.244 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3c(C)cccc3C)n2)cc1 1872768415 RUAPUMNPYCAWQX-OAQYLSRUSA-N 434.561 5.861 30 10 IKEE COc1ccc(C)cc1-c1csc([C@@H](C#N)C(=O)COc2cc(Cl)ccc2Cl)n1 1872771589 XNNPYRJYCIZKLR-HNNXBMFYSA-N 447.343 5.689 30 10 IKEE C[C@@H](Oc1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(C(C)(C)C)cc2)cs1 1872773595 RLRUEOWYEGRLEJ-FOIQADDNSA-N 438.980 6.405 30 10 IKEE Cc1ccc(N2C(=O)c3ccc(C(=O)[C@@H](C#N)c4nc(C(C)C)cs4)cc3C2=O)c(C)c1 1872774406 PZGDLJRWKXQIIA-LJQANCHMSA-N 443.528 5.174 30 10 IKEE Cc1cc(OCC(=O)[C@H](C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc(C)c1Cl 1872777697 UAVRFLXTYXSMIL-KRWDZBQOSA-N 435.936 5.817 30 10 IKEE COc1c(Cl)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)c2ccc(Cl)cc2)n1 1872778782 UEQBGOXNJMFRTC-CQSZACIVSA-N 437.735 6.269 30 10 IKEE Cc1cc(C)c(-c2csc([C@H](C#N)C(=O)C(c3ccccc3)c3ccccc3)n2)c(C)c1 1872786254 GDSIYZCBYYUXDG-HSZRJFAPSA-N 436.580 6.744 30 10 IKEE CCCCCCCCNC1=C(c2cc(F)cc(F)c2)C(=O)N([C@H](C)c2ccccc2)C1=O 1873113676 XSGICZRDTNCJLR-GOSISDBHSA-N 440.534 5.756 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Nc3ccccc3)cc2)=C(c2cc(F)c(F)cc2F)C1=O 1873239621 UBRCQFTVUFFELO-UHFFFAOYSA-N 449.432 5.226 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)NCCCCCCCCCC)n2CC=C 1873595330 YLRBLLQBNOBXQD-UHFFFAOYSA-N 437.632 5.666 30 10 IKEE CCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccc(F)cc1F 1874212955 NLDZWUXCIAXXLW-ZMOGYAJESA-N 436.915 5.216 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(OCC)cc2)n1/N=C/c1cccc(Cl)c1 1874235424 IAWTTZYWMCAZLQ-ZMOGYAJESA-N 442.972 5.460 30 10 IKEE CCCCC1CCC(c2nnc(SC)n2/N=C/c2ccc(OCC)c(OCC)c2)CC1 1874285853 BLOQMHWLUJQADX-KOEQRZSOSA-N 444.645 6.144 30 10 IKEE C(=N/n1c(CCCOc2ccccc2)nnc1SCCc1ccccc1)\c1ccccc1 1874315878 PQDHNQWIVHYEMR-SZXQPVLSSA-N 442.588 5.507 30 10 IKEE Cc1ccc(OCc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccccn2)cc1C 1874319444 RCZLZQIKFJWMRU-MZJWZYIUSA-N 447.539 5.183 30 10 IKEE Cc1ccc(OCc2nnc(SCc3cccc(F)c3)n2/N=C/c2cccn2C)c(C)c1 1874327660 VXDILOYZLIFVFX-VULFUBBASA-N 449.555 5.126 30 10 IKEE Cc1cccc(/C=N/n2c(SCCc3ccccc3)nnc2-c2ccccc2Cl)c1 1874365478 DYWWFQXXPSBYKJ-YZSQISJMSA-N 432.980 6.124 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2cccs2)cc1 1874407334 RDIGMQZUWXDPES-HYARGMPZSA-N 441.582 5.545 30 10 IKEE Oc1ccc(Cl)cc1/C=N/n1c(CC2CCCCC2)nnc1SCc1ccccc1 1874408446 XHGVTFQHPKXUOT-MFKUBSTISA-N 441.000 5.934 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2ccc(C)cc2)nnc1-c1cccs1 1874420126 BMKWKQLMRHZLNX-PCLIKHOPSA-N 446.601 6.054 30 10 IKEE COc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccccc2F)c1OC 1874438562 GYAITQWJCYFPTP-AFUMVMLFSA-N 442.560 5.198 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2-c2ccco2)c1 1874467914 IVXUPPPMOOPWIN-WYMPLXKRSA-N 443.359 6.328 30 10 IKEE C=C(C)CSc1nnc(C(C)(C)C)n1/N=C/c1ccc(OCCCCCC)c(OC)c1 1874482218 ZUJTYGVPEIBQSI-PCLIKHOPSA-N 444.645 6.094 30 10 IKEE CC(C)Cc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccccc1C(=O)O 1874490577 XZWNMWGLTWEOIB-FSJBWODESA-N 428.945 5.003 30 10 IKEE CCSc1nnc(C2CCC2)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874493023 RLVPOMROUKWOHV-ZVHZXABRSA-N 426.973 5.772 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(C2CCC2)n1/N=C/c1ccc(C)cc1 1874494666 CSMBRRPYARPHFD-MFKUBSTISA-N 433.581 5.029 30 10 IKEE CC(C)c1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874509147 NMMBIMPGOFQYBB-BRJLIKDPSA-N 447.486 5.033 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1cccc(OC)c1OC 1874526289 VWFDMKZYRRGMPH-MFKUBSTISA-N 432.549 5.185 30 10 IKEE CCCCOc1ccc(/C=N/n2cnnc2SCc2c(Cl)cccc2Cl)cc1 1874542094 JEVQZRSHQKCXSY-WYMPLXKRSA-N 435.380 5.938 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)c1ccc2c(c1)CCCC2 1874571982 QHODTENYUZKMNJ-ZRDIBKRKSA-N 437.366 7.347 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Cl)ccc1OCC(=O)Nc1ccc(F)cc1 1874576815 HPUILWMKFCAMET-WUXMJOGZSA-N 439.870 5.401 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2c(F)cccc2Cl)cc1 1874577822 HMFBKGRPYIEBEV-NTCAYCPXSA-N 440.898 6.362 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccc(C)c(C)c2)c(OC)c1 1874587963 NGAADZMCIOKHOL-GXDHUFHOSA-N 445.515 5.234 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OCC(=O)Nc1ccc(C)cc1 1874595562 RTWWVCACKMTUGJ-WLRTZDKTSA-N 435.907 5.571 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OCC(=O)Nc3cc(C)ccc3C)c2)c1 1874596859 GVYWXXCLMCZFQL-ZRDIBKRKSA-N 445.515 5.234 30 10 IKEE O=C(/C=C/c1ccc(OCCc2ccccc2)c(Cl)c1)c1ccc(Cl)cc1Cl 1874606147 YRAZDPHACKSECQ-UXBLZVDNSA-N 431.746 7.164 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2Cl)cc(OC)c1OCC(=O)OCCC 1874608393 MBUPXIARLOEPRS-VAWYXSNFSA-N 428.912 5.305 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(OC)c1OCC(=O)OCC(C)C 1874614790 ZASGFYWNRFLAKS-KPKJPENVSA-N 442.939 5.551 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc(Br)c1OCC 1874637659 LKCJMONKBPIPJQ-CMDGGOBGSA-N 433.342 5.768 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 1874692358 BTLHEDGXOIJVRL-XNTDXEJSSA-N 429.472 6.008 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OC(=O)Cc1ccc(F)c(C)c1 1874696761 FXZVMASSTQYTKR-DHZHZOJOSA-N 438.882 5.840 30 10 IKEE CCCCCCCCC(=O)Oc1cccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1 1874702824 LPUMXKVZNLUXCH-NTCAYCPXSA-N 433.375 7.546 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1OC(=O)c1ccccc1OC 1874711051 OYTOHXYTIHWCAJ-ZRDIBKRKSA-N 446.499 5.445 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3F)c([N+](=O)[O-])c2)cc1 1875101737 ZHLFSYDLPYDNFD-UKTHLTGXSA-N 433.435 5.341 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(C)c3)cc2)cc1 1875107214 GBINQRGVYFIUFX-LFIBNONCSA-N 428.528 6.000 30 10 IKEE CCCCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccc(OC)cc2)cc1OC 1875112481 AGDPPQYQYRRUBI-KPKJPENVSA-N 447.325 5.458 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(C)c(C)c1 1875125412 HZQFJVYVQFPJSK-AWNIVKPZSA-N 434.919 6.471 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)Cc1cc(C)ccc1C 1875129170 NKTIEOQNEXNKPO-CCEZHUSRSA-N 440.539 6.085 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1 1875143525 DIYIFNPYXXHCRJ-IZZDOVSWSA-N 441.310 6.426 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2OC)cc(OC)c1OC(=O)c1ccccn1 1875144067 DLKFMQONQAXHDC-VAWYXSNFSA-N 443.499 5.251 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OC(=O)CCCOc3ccccc3)cc2)c1C 1875168632 NCWNQHCFYNZJGQ-SAPNQHFASA-N 442.555 6.581 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(OCC)ccc2OCC)cc(OC)c1OC(=O)CC 1875172972 PSGNMTAQICGZAO-ACCUITESSA-N 438.520 5.433 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccco3)c(Cl)c2)c(OC)c1OC 1875194186 HZOSACYCTKUVIC-RMKNXTFCSA-N 442.851 5.074 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N1CCCCC1)n2Cc1ccccc1 1875217007 UXIAUVZTBLZAAO-UHFFFAOYSA-N 447.627 5.878 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(-c4cccs4)cc3)ccc21 1891427827 RSXFHQKOLLFAOV-UHFFFAOYSA-N 432.545 5.605 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CN(C(=O)OC(C)(C)C)CC(C)(C)C2)c1 1922770117 VFCUFYUNYVMBKZ-VWLOTQADSA-N 443.588 5.666 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CN(C(=O)OC(C)(C)C)[C@H]2CCC[C@@H]21 1926544192 ZUDULGCZQQQAMZ-JVFUWBCBSA-N 441.572 5.418 30 10 IKEE CC(C)(C)OC(=O)N1CCC([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)CC1 1944715601 SGTNFDSAKFBWBK-IBGZPJMESA-N 449.979 5.621 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CCC[C@H]2C[C@@H]21 1949668490 QMWAXFCRISIQMR-HZLPDVBGSA-N 428.617 5.211 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@]1(C#N)CCCCN(Cc2ccccc2)C1 1980547142 DRKXGMGGZYPSTJ-XMMPIXPASA-N 425.598 5.434 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@@H](C#N)[C@]1(C)CCCN1C(=O)OC(C)(C)C 2020802594 OVSNYZMMPBOTHH-MBSDFSHPSA-N 449.979 5.763 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)CC12CCCC2 2037761189 YOVYKCTUEPHZMB-RUZDIDTESA-N 447.620 5.772 30 10 IKEE O=C(C=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(N2CCOCC2)c(F)c1 2040963587 XVVLFOIJLFROIC-UHFFFAOYSA-N 446.305 6.125 30 10 IKEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)c(Cl)c1 2041577656 HQOAIHGBVYTOPS-SJORKVTESA-N 429.786 5.060 30 10 IKEE CC[C@H](c1ccc(C(F)(F)F)cc1)n1nc(C2CC2)c(C#N)c1I 2079856248 QQQWLLKDCAZLOI-CQSZACIVSA-N 445.226 5.255 30 10 IKEE CCOc1ccc([C@@H](n2nc(C3CC3)c(C#N)c2I)C2(C)CC2)cc1 2080093940 HISWWYWFDWFMRH-GOSISDBHSA-N 447.320 5.025 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NC)c2cc(Cl)cc(Br)c2)C1 2081549644 SUXPFXBENJTJKM-MRXNPFEDSA-N 429.786 5.224 30 10 IKEE CCCCC#CC[C@H](N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2139061198 ZOOJDTHIAGRNOG-LITSAYRRSA-N 443.587 5.789 30 10 IKEE CCCCCCCC[C@@H](NN)c1ccc(Br)cc1I 2142281177 NDWAFARHGXUMMZ-OAHLLOKOSA-N 439.179 5.309 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)C1(C#N)CC(C2CCOCC2)C1 2151221467 GQTMCMRLXZRQFC-UHFFFAOYSA-N 435.362 5.290 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(CNc3ccc(C#N)c(Br)c3F)CCC[C@@H]12 2162400969 AICQEHSHPUZVTE-FOIQADDNSA-N 438.341 5.051 30 10 IKEE CN(c1cc(Br)ccc1C#N)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1 2197459550 SJYYISTVDFZCAA-IBGZPJMESA-N 430.346 5.023 30 10 IKEE C=CCCCCCCC[C@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NC 2214613652 POMOPXQBLYQWBQ-DNQXCXABSA-N 432.649 5.991 30 10 IKEE C=C(C)CCCC[C@H](NCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2259161906 QYUAZXGKXQXOLW-RPLLCQBOSA-N 444.660 5.945 30 10 IKEE CCCN[C@H](C#CC1CCCCC1)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2260987968 GIBZEKXHOXNIIG-RPBOFIJWSA-N 442.644 5.439 30 10 IKEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@](C)(NC(=O)OC(C)(C)C)C(C)(C)C 2296278367 CSCZJKXVXCKDIV-AVRDEDQJSA-N 437.422 5.108 30 10 IKEE C#CCN1c2ccccc2C(=O)N(N=Cc2ccccc2Cl)[C@@H]1c1ccccc1Cl 2296650824 RYQLOXXXEGROOQ-HSZRJFAPSA-N 434.326 5.622 30 10 IKEE CCCCCCCCCCOc1ccc(C2=NC(=Cc3ccccc3OCC)C(=O)O2)cc1 2297297496 OXJBWHBJWNQFBL-UHFFFAOYSA-N 449.591 6.949 30 10 IKEE C=CCN1C(=O)C(=CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)Sc2ccccc21 2297484342 ICRVXRARNJZVFP-QFIPXVFZSA-N 440.568 5.295 30 10 IKEE CCCCCCCCCCn1c(CCCNC(=O)C=Cc2ccccc2)nc2ccccc21 2314609704 YWFPOOXMPSDQLO-UHFFFAOYSA-N 445.651 6.939 30 10 IKEE CCOc1ccc(C=Nn2c(SCCc3ccccc3)nnc2C2CC2)cc1OCC 2320858514 RCKTYVQFQVAGNC-UHFFFAOYSA-N 436.581 5.170 30 10 IKEE Cc1ccc2[nH]c(C(=O)O)c(C=Nn3c(SCc4ccccc4C)nnc3C(C)C)c2c1 2321844687 BQAHIUPVHNAJSP-UHFFFAOYSA-N 447.564 5.372 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc4c3CN(Cc3ccccc3F)CO4)C2=O)cc1 2322054623 ABPJUNVLKRNBQK-UHFFFAOYSA-N 431.463 5.193 30 10 IKEE C[C@@H](c1ccccc1)N1COc2ccc3c(c2C1)OC(=Cc1cn(C)c2ccccc12)C3=O 2322092381 UVRASTRIAFDJCZ-SFHVURJKSA-N 436.511 5.708 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)O3)CN([C@H]1CCCC[C@H]1C)CO2 2322153151 ISTDPIDYWOJCAF-QRWLVFNGSA-N 434.492 5.250 30 10 IKEE CCN(CC)C(=O)COc1c(C=CC(=O)c2ccc(-c3ccccc3)cc2)cccc1OC 2322307574 HBKMYUAJHAWKLX-UHFFFAOYSA-N 443.543 5.506 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCc2ccc(C)cc2)cc1 2322552841 DOFAZSWNMUALBY-UHFFFAOYSA-N 436.935 6.531 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(F)c(C)c2)c1OCC(=O)N[C@H](C)c1ccccc1 2322638076 FEYKRCFDEVHESE-LJQANCHMSA-N 447.506 5.295 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC)c1OCc1ccc(C)cc1 2322774910 DWOKYVZFYVUBES-UHFFFAOYSA-N 444.571 6.785 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC)c2OCc2ccccc2C)cc1C(C)C 2322805894 CKHUMRSDVNVUOG-UHFFFAOYSA-N 444.571 6.919 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2cccc(C)c2C)c(C)c1C 2322815564 OTMLGYGNALFXOS-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE O=C(C=Cc1ccco1)Oc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1Cl)C2=O 2323157775 MLEHCKYHRVWQJB-UHFFFAOYSA-N 427.239 5.821 30 10 IKEE CCCCCCCCCOc1ccc(C=Nn2c(SC)nnc2C(C)C)cc1Cl 2323580384 GTWNIMXMBXOXBY-UHFFFAOYSA-N 437.053 6.788 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Cl)c(OCc2cccc(Cl)c2)c(OC)c1 2323693591 FUFQLSATKSHSCK-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1C 2323792030 BTIOBTYRATUEDU-UHFFFAOYSA-N 449.934 5.961 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(O[C@H](C)C(=O)Nc3ccc(C)cc3)ccc2C1=O 2324370237 BBPBPMDUOJVJIX-GOSISDBHSA-N 443.499 5.416 30 10 IKEE Cc1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(F)cc2)C3=O)c1C 2324498517 HYWGSDDFEGRCKG-KRWDZBQOSA-N 431.463 5.465 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(C(C)(C)C)cc3)n2)cc1C 2324825640 YCQVDCAFEVYRJR-JOCHJYFZSA-N 444.600 6.623 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccc(C)cc4C)c3C)C2=O)cc1 2324882995 IGTWCQVJZQYMMI-UHFFFAOYSA-N 443.499 5.254 30 10 IKEE CCCOC(=O)[C@H](CC)Oc1ccc2c(c1)OC(=Cc1cccc(Br)c1)C2=O 2325079295 XNEUOGCKGYQBKC-SFHVURJKSA-N 445.309 5.176 30 10 IKEE Cc1c(OCc2nc(O)c3ccccc3n2)ccc2c1OC(=Cc1cccc(Cl)c1)C2=O 2325205683 COUWPVNJZVAHET-UHFFFAOYSA-N 444.874 5.492 30 10 IKEE Cc1c(OC(c2ccccc2)c2ccccc2)ccc2c1OC(=Cc1ccc(F)cc1)C2=O 2325216323 KCSKKNYWSCOVBL-UHFFFAOYSA-N 436.482 6.919 30 10 IKEE CCCOc1ccc(C=Nn2c(CCC)nnc2SCc2c(F)cccc2Cl)cc1 2325572075 LZASKGZWNTUPFQ-UHFFFAOYSA-N 446.979 5.986 30 10 IKEE COc1ccc(CC(=O)Oc2cc(C=CC(=O)c3ccccc3Cl)ccc2OC)cc1 2325716746 QWHIITHVCQEDPG-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3c(C)ccc(C)c3C)c2)cc1 2325734749 HRVFHNRCNLZISV-UHFFFAOYSA-N 444.527 5.891 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccc(OCC)c([N+](=O)[O-])c1 2326382350 CMIJXUIHLMZFEE-UHFFFAOYSA-N 439.541 5.020 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccc(O)c(Cl)c1 2326603356 GENIQRQNEMUOAT-UHFFFAOYSA-N 428.989 5.771 30 10 IKEE CCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1ccc(C(F)(F)F)cc1 2326681194 IJNRNGWIKUIXFE-UHFFFAOYSA-N 429.471 5.296 30 10 IKEE CCOc1cc(C=Nn2c(C)nnc2SCc2ccc(Cl)cc2Cl)ccc1O 2326698941 SDZROCWGSMYTAN-UHFFFAOYSA-N 437.352 5.172 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1cc(C)ccc1O 2327191635 SSKPABAVUOXNBX-UHFFFAOYSA-N 436.581 5.163 30 10 IKEE CCCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1cccc(OCC)c1 2328075419 RVTRNUVXGOJBSM-UHFFFAOYSA-N 428.989 5.500 30 10 IKEE CCCOc1ccccc1C=Nn1c(COc2ccccc2OC)nnc1SCCC 2328299436 UOWCGLJNJDGTGD-UHFFFAOYSA-N 440.569 5.039 30 10 IKEE C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1CC(=Cc1ccc(Br)cc1)C2=O 2328655478 CTGFFXZZHKKDLF-RZQCXYSXSA-N 441.453 7.444 30 10 IKEE CCSc1nnc(CCCOc2ccccc2)n1N=Cc1c(OC)ccc2ccccc12 2328730103 WCKYSPVZIAUMGU-UHFFFAOYSA-N 446.576 5.446 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2)n1N=Cc1ccc(C(C)C)cc1 2328745036 JJDNZQZNWPAHBV-UHFFFAOYSA-N 434.609 5.964 30 10 IKEE Clc1cccc(CSc2nnc(CCOc3ccccc3)n2N=Cc2ccccn2)c1 2329225131 OZZWLDNIINGMPX-UHFFFAOYSA-N 449.967 5.123 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccccc2C)cc1C 2329395511 MEWTWWIVEWFXLS-UHFFFAOYSA-N 444.579 6.108 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@H](C)c3ccccc3)n2N=Cc2ccccc2O)c1 2330109679 PBNQBNKBWQJDSB-HXUWFJFHSA-N 442.588 5.927 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](C)NC(=O)C=Cc1ccc(Br)cc1 2330481742 FWWXCPOBNASIGZ-SFHVURJKSA-N 437.422 5.224 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2ccccc2[N+](=O)[O-])cc1 2330623963 XRZKNRJFFUWDEU-UHFFFAOYSA-N 429.505 5.336 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2)ccc1OC(=O)c1ccc(C)c(C)c1 2330874270 HVAVRJFZAZOJFI-UHFFFAOYSA-N 444.527 6.134 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(OC)cc2)cc1OC 2330951988 MKZUWOBFDLWARQ-UHFFFAOYSA-N 430.928 6.129 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)c(C)c3)c(Cl)c2)cc1 2330961171 XZVJGGCWAMABES-UHFFFAOYSA-N 438.882 5.840 30 10 IKEE Cc1ccc(CSc2nnc(C3CCCC3)n2N=Cc2cn(C)c3ccccc23)cc1 2331017946 XRKYXIWAGDWXJO-UHFFFAOYSA-N 429.593 5.910 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3ccccc3C)nnc2C2CCCC2)c1 2331030679 ZJDAVXXPOPUFET-UHFFFAOYSA-N 434.609 6.207 30 10 IKEE COc1cccc(C=Nn2c(SCc3cccc(F)c3)nnc2C2CCCC2)c1OC 2331049567 PXDISHRBDMXQPX-UHFFFAOYSA-N 440.544 5.267 30 10 IKEE C[C@H](Oc1ccc(Cl)cc1)C(=O)Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1 2331084638 WBYIQVSYFQSYMF-HNNXBMFYSA-N 442.845 5.887 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OC(=O)Cc1ccc(C)c(C)c1 2331129955 NMMNSWQUMVJFAH-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE O=C(CC12CC3CC(CC(C3)C1)C2)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1 2331141311 OYFSQJJXXVZRST-UHFFFAOYSA-N 434.963 6.748 30 10 IKEE Cc1ccsc1C(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1Cl 2331399440 LLBSVPYJESYJBQ-UHFFFAOYSA-N 440.904 5.596 30 10 IKEE COc1cccc(C=Nn2c(CC(C)C)nnc2SCc2cc(C)ccc2C)c1OC 2331455709 JYLZXGKUBOSOIF-UHFFFAOYSA-N 438.597 5.285 30 10 IKEE CC(C)Cc1nnc(SCc2ccccc2Cl)n1N=Cc1cn(C)c2ccccc12 2331456325 BHVCGYYTMBJCAG-UHFFFAOYSA-N 438.000 5.796 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(F)c2)ccc1OC(=O)CC1CCCCC1 2331461183 SZWDGMYFDKIWMF-UHFFFAOYSA-N 440.511 6.005 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])c1 2331530297 QSZKIDXNWDDBFO-UHFFFAOYSA-N 435.407 5.248 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)c1sccc1C 2331539377 YMKPIHMMGDNIJV-UHFFFAOYSA-N 436.504 6.048 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1ccc(CC)cc1 2331566168 OWERWFUOHHLJRO-UHFFFAOYSA-N 436.454 6.041 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1ccccc1Cl 2331779587 ALSJGYJHCSVAJR-UHFFFAOYSA-N 448.946 6.779 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCOc3ccccc3)cc2)cc1Cl 2331818750 MEMUDBQNAKFOBI-UHFFFAOYSA-N 436.891 5.619 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(C)c(C)c(Br)c(C)c1C 2375336936 UMYZSTIUFZKDRK-YLJYHZDGSA-N 439.438 5.803 30 10 IKEE O=C(/C=C\Nc1ccc(C(F)(F)F)cc1)c1ccc(OCc2c(F)cccc2Cl)cc1 8782244 RHNBOPXMKPWIMT-SEYXRHQNSA-N 449.831 6.885 30 10 IKEE O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1c[nH]c3ccccc13)n1c(nc3ccccc31)N2 17096982 IODTXMITANPSKX-DNOBIOAJSA-N 430.511 5.933 30 10 IKEE COc1ccc(-c2ccc(C(=O)Nc3ccc(C4(C#N)CCCC4)cc3)o2)c([N+](=O)[O-])c1 20980327 KKRXTZWUMMFXRG-UHFFFAOYSA-N 431.448 5.451 30 10 IKEE CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)cc2Cl)cc1 21236814 IUFIIQOFXPNLOB-BEFAXECRSA-N 442.386 6.295 30 10 IKEE COc1cc2c(cc1OC)[C@@H](CC#N)N(C(=O)c1sc3cc(F)ccc3c1Cl)CC2 23450809 IZCHXABDGJZTPY-MRXNPFEDSA-N 444.915 5.364 30 10 IKEE Cc1cc(OCc2ccccc2)c(C(=O)/C=C\c2csc(-c3ccccc3)n2)cc1C 34715745 CSDZDOUGIQDPIS-YPKPFQOOSA-N 425.553 6.902 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C\c2ccc(OC(=O)c3ccccc3C)c(OC)c2)c1 34954254 NIOGIXVMGYDIEP-XFXZXTDPSA-N 432.472 5.136 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccccc2Cl)c1)c1ccc(-c2ccccc2)cc1 34954957 CNFVQGDZCFQLFG-QGOAFFKASA-N 438.910 7.122 30 10 IKEE COc1ccc(-n2c(-c3ccc(F)cc3)cc(/C(C)=N\OCc3ccc(C)cc3)c2C)cc1 35843471 ITRYKBPKKZGFRK-COEJQBHMSA-N 442.534 6.850 30 10 IKEE CC(C)(C)c1cc(Br)ccc1OCC(=O)N(CCC#N)Cc1ccccc1 36563610 LNVXKSSWUODJGK-UHFFFAOYSA-N 429.358 5.068 30 10 IKEE COc1cccc2cc(C(=O)Oc3ccc4c(c3C)O/C(=C\c3ccc(C)o3)C4=O)oc12 41353971 PPBNXRWJKKVLQU-NDENLUEZSA-N 430.412 5.487 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OC(=O)Cc3ccc(OC)cc3)cc(C)c2C1=O 41358206 NGWVOBUPDJVEBP-IWIPYMOSSA-N 444.483 5.167 30 10 IKEE CC(C)(C)c1ccc(/C=C2\S/C(=N/N=C\c3cccnc3)N(Cc3ccco3)C2=O)cc1 47137781 DCKIBDZCKKJLPD-HTITUMPVSA-N 444.560 5.479 30 10 IKEE O=C(/C=C\c1ccc(-c2cccc(Cl)c2Cl)o1)c1cccc(N2CCOCC2)c1 96794645 IPRHKOLOWXIVPG-CLFYSBASSA-N 428.315 5.986 30 10 IKEE CCCCCCCCc1ccc(O)c(Sc2cc(CCCCCCCC)ccc2O)c1 100037652 LBOGPIWNHXHYHN-UHFFFAOYSA-N 442.709 9.055 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)Cc1coc2ccc3ccccc3c12 100923001 GWMJQYUVGGIDFK-UHFFFAOYSA-N 449.679 8.726 30 10 IKEE CCCCCCCCCCC#CCCOC(=O)c1ccc(/C=N/c2ccc(O)cc2)cc1 101005795 UHEMEFDDJQVIDO-BYNJWEBRSA-N 433.592 7.224 30 10 IKEE CCCCCCCCn1c([C@@H](C)NC(=O)COc2cc(C)ccc2C)nc2ccccc21 102129627 GIHXOYBAAXCMOD-JOCHJYFZSA-N 435.612 6.270 30 10 IKEE CCCCCCCn1c(CCCCCNC(=O)c2ccccc2OC)nc2ccccc21 102167076 MLMXQZMOOICJOA-UHFFFAOYSA-N 435.612 6.158 30 10 IKEE CCCCCCCn1c(CCCCCNC(=O)CCc2ccccc2)nc2ccccc21 102174002 DDAIYWKQZHSLOV-UHFFFAOYSA-N 433.640 6.469 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3ccc(C)cc3C)cs2)cc(Br)c1O 169940432 MUWUIGLJRDPAIK-YVNNLAQVSA-N 446.370 5.740 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@@H]2c2cccs2)cc1C 169986932 CYUIMJNQWCGZPF-OAQYLSRUSA-N 437.948 6.110 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2cccnc2)s1 170003064 MEPYPRBMQLJNLO-HXUWFJFHSA-N 433.533 5.061 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(F)cc1)c1c[nH]c2ccccc12 170065160 XQSAWXCQBXDGLH-HSZRJFAPSA-N 444.437 5.225 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccccc2F)cc1 170071036 RQMJKBKPNPAAPY-NRFANRHFSA-N 437.854 5.271 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2C)cc1 170088731 FRTRDQBLWKYZFZ-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@H]2c2ccco2)cc1C 170092492 QZTBJLJPWUGKAL-FQEVSTJZSA-N 425.843 5.472 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1c1cccc(Cl)c1 170106965 ADDQZFBEOMLSLW-SFHVURJKSA-N 444.339 6.146 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cc4cc(Cl)ccc4o3)=C(O)C(=O)N2C2CCCC2)c1 170148716 ZFFJKIPGLWNWST-QFIPXVFZSA-N 435.907 5.916 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccs2)cc1 170157056 LLERKQYIVNCHBU-JOCHJYFZSA-N 433.529 5.410 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccs2)cc1C(C)C 170163829 YOCQLVOADMYBTO-JOCHJYFZSA-N 439.577 5.791 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(OCC)cc1 170214314 KVLMCBWMKVMMGL-RUZDIDTESA-N 447.575 5.733 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccccc1F 170249671 HPEQFUNVZFPDBQ-HSZRJFAPSA-N 427.431 5.663 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(CC)cc2)cc1 170266337 UHOXQQWVEPGIEU-DEOSSOPVSA-N 445.515 5.409 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1CCCOC(C)C 170278084 KNVIGXYIGJCQBM-RUZDIDTESA-N 443.543 5.542 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Br)ccc3o2)[C@H]1c1ccco1 170294375 UVCOEGUBWZINRY-GOSISDBHSA-N 444.281 5.167 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2Cc2ccco2)o1 170307037 RQVZDUUJEDIBPK-SFHVURJKSA-N 432.259 5.266 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(C)o2)cc1 170311263 AQESBOWCJNOHPX-QHCPKHFHSA-N 449.478 5.294 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2sccc2C)ccc1Cl 170319515 JRVIHMUQRUDHKD-SFHVURJKSA-N 431.941 5.239 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1c1cccc(C(F)(F)F)c1 170406007 BNZLCZXPSCZDKS-MRXNPFEDSA-N 449.475 5.920 30 10 IKEE COc1ccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(OCC(C)C)cc2)cc1 170427922 UIKBSDPKMUQVET-XMMPIXPASA-N 437.536 5.245 30 10 IKEE COCCN1C(=O)/C(=C\c2cccn2-c2ccc(Cl)cc2)SC1=Nc1ccccc1 252591392 BAZHUGCCVDXIAJ-LIKMOULWSA-N 437.952 5.381 30 10 IKEE CN1C(=O)/C(=C\c2ccccc2OCc2ccccc2Cl)SC1=Nc1ccccc1 252623838 PAJLDDXCQWORLE-MUJYFGONSA-N 434.948 6.153 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(SCc3ccccc3)nnc2-c2ccccc2)cc1 254520902 VWXLCLVILGZDQV-UHFFFAOYSA-N 426.589 6.417 30 10 IKEE Cc1ccc(N=C2SCC(C)(C)N2C(=O)/C=C\c2c(Cl)nc3sccn23)c(C)c1 254734018 LWTUKQQBTRGLFZ-NIVDJVRYSA-N 445.013 5.721 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(Cl)cccc1Br 407257751 QHPXOLBGLKCSEH-WBVHZDCISA-N 431.802 5.613 30 10 IKEE N#CCc1cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)nc(C(F)(F)F)c1 514262582 KHRDFULNSJSIFO-UHFFFAOYSA-N 434.459 7.100 30 10 IKEE N#Cc1ccc(NC2=C(Sc3ccc(Cl)cc3)C(=O)N(c3cccc(F)c3)C2=O)cc1 526663717 UBUAGJHKGSEHRF-UHFFFAOYSA-N 449.894 5.340 30 10 IKEE CCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1c(C)n(CC)c2ccccc12 526822116 GDDDBIBMWPLYSH-YUMHPJSZSA-N 442.592 5.560 30 10 IKEE C=CCN(CC=C)C(=O)Nc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 586664342 RNDWYVZOYULRTG-UHFFFAOYSA-N 437.849 5.817 30 10 IKEE C=CCN(CC=C)C(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 586715287 XPVXFKOLGNQUJK-UHFFFAOYSA-N 437.849 5.817 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@](C)(C#N)c1cc(Br)ccc1F 698354417 SMHKEZHSFCQOAI-FQEVSTJZSA-N 425.342 5.897 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)C1 724070173 MIKSYANVFACXHD-HJPURHCSSA-N 449.979 5.669 30 10 IKEE CC(=NNc1nc(SCC(=O)Nc2c(C)cccc2C)n[nH]1)c1ccc2ccccc2c1 1084038994 UFMNNMOFDVLLBC-UHFFFAOYSA-N 444.564 5.142 30 10 IKEE C/N=C1\S/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C(=O)N1C 1084055694 SCAJNEYVTVEYFR-QDBPXTSOSA-N 430.360 5.528 30 10 IKEE CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@H]2/C=N\c1ccccc1/N=C\[C@@H]1C(=O)[C@H]2CC[C@@]1(C)C2(C)C 1084330141 HXEWRZRCECTMFG-AWSSEVILSA-N 432.608 6.374 30 10 IKEE COc1ccc(CSc2n[nH]c(NN=Cc3cccc(Oc4ccccc4)c3)n2)cc1 1084336606 LYLPSINUBHBQAJ-UHFFFAOYSA-N 431.521 5.344 30 10 IKEE CCOc1cc(C=NNCc2ccccc2OC)ccc1OCc1cccc2ccccc12 1084467323 PPHBGLVWQRKJBO-UHFFFAOYSA-N 440.543 5.950 30 10 IKEE COc1ccc(-c2c(-c3ccccc3)oc(N=Cc3ccc(C)c([N+](=O)[O-])c3)c2C#N)cc1 1084493799 KFWLVRQSDJCVCL-UHFFFAOYSA-N 437.455 6.461 30 10 IKEE COC(=O)C(=NNc1ccc(C)cc1)Sc1ncc(-c2ccccc2)n1-c1ccccc1 1084628994 QRVZWVDVPRCCFE-UHFFFAOYSA-N 442.544 5.538 30 10 IKEE Cc1ccc(NC(=S)N/N=C\c2cn(-c3ccc(C)c(C)c3)nc2-c2ccccc2)cc1 1857808975 LRZAVRPKKCMTQD-YUMHPJSZSA-N 439.588 5.785 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)/C=C/c1ccc(OCC)c(OC)c1 1861581768 BSLKJJGAXUNGQG-WTYVIMSDSA-N 446.632 5.259 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccc(C)cc2)c1 1862444875 JHNUKHKMZBQIFR-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cc(Br)ccc1F 1862484278 LDETYXGOJGDJMG-ORAYPTAESA-N 446.316 5.273 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2cccc(F)c2)cc1 1862501756 JVTKOJLMVAZPIY-DEOSSOPVSA-N 447.481 5.403 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(F)cc2F)ccc1F 1862503255 UCDIRKVDMNWBAN-QFIPXVFZSA-N 437.417 5.191 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1c(F)cccc1Cl 1862505117 KPUYFMOKKPUREI-HXUWFJFHSA-N 433.882 5.695 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2[C@@H](C)CC)cc1OC 1862537744 CGRBIVMUIGBOPK-QMHKHESXSA-N 437.536 5.033 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2c(Cl)cccc2Cl)cc1 1862538058 CKTVBIGNQSFBRF-NRFANRHFSA-N 444.358 6.077 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1c(F)cccc1Cl 1862548891 BQWYIGKFNYDKQP-OAQYLSRUSA-N 427.903 5.346 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(C(C)(C)C)cc2)=C(O)C(=O)N1CCOC(C)C 1862613818 QTCAIZCXWSHJDI-HSZRJFAPSA-N 435.564 5.296 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccccc1C 1862626043 SQCUUEBQJDBJNY-DVECYGJZSA-N 449.547 5.661 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccccc1 1862659723 CWYCOPQFKVNJGC-XMMPIXPASA-N 435.564 5.595 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C(C)C)cc3)[C@H]2c2ccc(C)cc2)cc1 1862659948 GQJOEFQFARUGKB-AREMUKBSSA-N 439.555 6.205 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862666695 KEBHOLDFBAHCQM-VWLOTQADSA-N 447.619 6.732 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccc(OC)cc3)[C@H]2c2ccccc2)cc1 1862688359 WPNZKLVBFMXINJ-OSPHWJPCSA-N 443.499 5.043 30 10 IKEE N#Cc1ccc(NC2=C(c3ccccc3F)C(=O)N(c3ccc4ccccc4c3)C2=O)cc1 1862921293 WCWPAHKSPAKCFC-UHFFFAOYSA-N 433.442 5.247 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2OCC)=C(c2ccc(C)c(C)c2)C1=O 1863247080 UGHCYVCNHCONLX-UHFFFAOYSA-N 448.607 6.255 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2Cl)=C(c2ccc(C)c(C)c2)C1=O 1863257289 ODPVXTFOYRCXOV-UHFFFAOYSA-N 438.999 6.509 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(OC)cc2)C1=O 1863331674 QTDUCQMRJZVGOH-NRFANRHFSA-N 431.536 5.118 30 10 IKEE CCCCCCCCCCNC1=C(c2c[nH]c3ccccc23)C(=O)N(CCCOC)C1=O 1863815900 OQBDCSBVQTUJKK-UHFFFAOYSA-N 439.600 5.015 30 10 IKEE CC[C@@](C)(NC(=O)c1cccc(Oc2ccccc2)c1)C(=O)N[C@@H](C#N)c1ccc(C)cc1 1867702493 ZGGPKKSIXBVGOZ-RPLLCQBOSA-N 441.531 5.067 30 10 IKEE CCCc1nc(Nc2ccccc2C#N)cc(N2CCC[C@@H]2c2nc3ccccc3s2)n1 1868398344 KIWBUBJRBUKZIW-HXUWFJFHSA-N 440.576 5.996 30 10 IKEE CCCN(CCCN(C)C)c1cc(Nc2cccc(C#N)c2)nc(-c2ccc(F)cc2)n1 1868444904 HEICOXDTIOMZKJ-UHFFFAOYSA-N 432.547 5.066 30 10 IKEE CCCCCCCCCCn1cc(OCC(C)C)c(=O)cc1CN1CCN(CC)CC1 1870437039 LGVRRNFBLMNJNC-UHFFFAOYSA-N 433.681 5.161 30 10 IKEE C=CCn1cc(OCc2c(C)cc(C)cc2C)c(=O)cc1CNc1ccc2cc[nH]c2c1 1870802857 NLBJAWPDZOYQJU-UHFFFAOYSA-N 427.548 5.632 30 10 IKEE C=CCn1cc(OCc2ccc(C(C)C)cc2)c(=O)cc1CNc1cccc([N+](=O)[O-])c1 1870897324 HUGIZRDJBNIMHZ-UHFFFAOYSA-N 433.508 5.257 30 10 IKEE CCc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccccc2F)C4)cc1 1871347020 RMJJYEIFJTZIQG-CFRMEGHHSA-N 429.491 5.665 30 10 IKEE Cc1ccc(C)c(CN2COc3ccc4c(c3C2)O/C(=C\c2ccc(Cl)cc2)C4=O)c1 1871348381 BTUIWYAILRYCQX-MSXFZWOLSA-N 431.919 5.925 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN([C@H]3CCCC[C@@H]3C)C4)C2=O)cc1 1871355459 AIIPKHKDYSTFDI-GRNJFCEASA-N 433.548 5.741 30 10 IKEE Cc1cc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2sccc2C)C3=O)ccc1[N+](=O)[O-] 1871374006 ZQHBEJWUVJFEPF-ODLFYWEKSA-N 435.457 5.417 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(/C=C/C(=O)O)cc4)c3C)C2=O)cc1 1871382308 SSMVQCRPSDIEEF-DYAARSSKSA-N 440.451 5.237 30 10 IKEE Cc1ccccc1OCCCCOc1cc(C)c2c(c1)O/C(=C\c1sccc1C)C2=O 1871404690 ODDDHUITXZNHJZ-KQWNVCNZSA-N 434.557 6.528 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(F)c(Cl)c4)ccc3C2=O)cc1 1871441270 HTEPCXIJQLHHGH-YVNNLAQVSA-N 437.854 5.421 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1871858692 SZTVVMUWPZLMOR-QHCPKHFHSA-N 446.588 5.063 30 10 IKEE C=CCN([C@@H](C(=O)Nc1cccc(C)c1C)[C@@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872521310 HJKICKGKWYYPLQ-BXKMTCNYSA-N 442.625 5.150 30 10 IKEE C=CCN([C@@H](CCC)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872556075 WONWPIQAFBMZLJ-QHCPKHFHSA-N 442.625 5.213 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccc(C(C)(C)C)cc3)n2)cc1 1872764386 LRYMSWCEFRDMBJ-JOCHJYFZSA-N 448.588 6.152 30 10 IKEE CC(C)Oc1ccc(CC(=O)[C@H](C#N)c2nc(-c3cccc4ccccc34)cs2)cc1 1872775066 JIZCZMGLMXINGI-QHCPKHFHSA-N 426.541 6.169 30 10 IKEE COc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)cc1OC 1872778106 DDDRMZAUJSVIFB-MBNRZODZSA-N 448.544 5.342 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(OC)cc3)n2)c1 1872781853 YXGBBCVNMZMFIF-HSRJRILOSA-N 448.544 5.506 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@@H](C#N)C(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 1872786486 LOEFXZGUPQOIEX-HNNXBMFYSA-N 441.896 5.487 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cc(C)ccc2OC)=C(c2cccnc2)C1=O 1873265538 OOJJHGZWYKFJLG-UHFFFAOYSA-N 449.595 5.731 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(OCC)c2)=C(c2ccc(C)cc2)C1=O 1873367446 BPLRTELMBQUNCU-UHFFFAOYSA-N 434.580 5.946 30 10 IKEE C=CCN=c1nc2c(cnn2-c2ccccc2)c(Nc2cccc(OCc3ccccc3)c2)[nH]1 1873469708 CUHZXYYXAFLCSM-UHFFFAOYSA-N 448.530 5.158 30 10 IKEE C=CCn1c(C(=O)Nc2cc(C)ccc2C)cc2c(NCCCCCCCC)ncnc21 1873621517 VDNSFCWLNYLDSU-UHFFFAOYSA-N 433.600 6.259 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1sccc1C 1874205052 HOEXJXFBWRAKJD-UFFVCSGVSA-N 441.409 5.918 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccc(CC)cc1 1874214306 FXHBHHKJAXSHPO-KOEQRZSOSA-N 443.016 5.890 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1ccc(F)cc1F 1874253610 GUTUEABVAADOAM-MFKUBSTISA-N 428.508 5.037 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccc(N(C)C)cc1 1874267048 XXLFXHISMGPRFM-ZMOGYAJESA-N 441.988 5.127 30 10 IKEE Clc1cccc(CSc2nnc(CCc3cccs3)n2/N=C/c2ccncc2)c1 1874374392 VAEHSLFDIDXAKP-ZVHZXABRSA-N 439.997 5.348 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@H](C)c3ccccc3)n2/N=C/c2ccccn2)c1 1874399595 UEWGUNFMZRTUDZ-CSWGWEJPSA-N 427.577 5.616 30 10 IKEE Clc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2ccco2)cc1Cl 1874419298 HKKGKTGLMPBOER-ZMOGYAJESA-N 443.359 5.943 30 10 IKEE C=C(C)CSc1nnc(-c2cccs2)n1/N=C/c1cc(Br)ccc1O 1874422613 VRWMXKYDRBAZDF-DJKKODMXSA-N 435.372 5.025 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2-c2ccccc2)cc1 1874430721 VFGBZSZEBPSFHB-JVWAILMASA-N 447.007 6.896 30 10 IKEE Fc1ccccc1/C=N/n1c(SCc2cccc3ccccc23)nnc1C(F)(F)F 1874461781 AJAHQAGTQWUNFR-RPPGKUMJSA-N 430.430 5.764 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc(O)cc1 1874480004 DAUKBNVMSCOFSR-FSJBWODESA-N 435.380 5.808 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CC2)cc1 1874523037 CSDZWSNZTAFDGV-BRJLIKDPSA-N 445.419 6.760 30 10 IKEE CCCOc1ccc(/C=N/n2cnnc2SCc2cccc3ccccc23)cc1OCC 1874539515 JHNJANHLFWWOSK-JVWAILMASA-N 446.576 5.793 30 10 IKEE CCOC(=O)c1ccc(COc2ccccc2/C=C/C(=O)c2ccc(OC)c(Cl)c2)o1 1874591241 ZUZXHWYQXLOAST-DHZHZOJOSA-N 440.879 5.593 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccc(C)cc3)c2)c(C)c1C 1874598299 FMDYVBQDZQQZMF-GXDHUFHOSA-N 429.516 5.534 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1ccc(C)cc1 1874602038 QSVYWSRHFLZREO-VAWYXSNFSA-N 433.460 5.396 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OCCO)c(OC)c2)cc1OCCC 1874612660 GLGXWYAPQMNZQC-SOFGYWHQSA-N 448.943 5.193 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)cc1 1874613634 FPDXXSHVWQPKLS-AWNIVKPZSA-N 440.898 6.362 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(OC)c(OCc2cccc(C)c2)c(OC)c1 1874620308 SJYZCCULVAJOQH-ZHACJKMWSA-N 432.516 5.804 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(OC)c1OCc1cccc(C)c1 1874622949 DNLHXIZTYUMJPK-WUKNDPDISA-N 448.562 7.360 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)c(C)c1C 1874628103 LYSCFTXQJCQETK-RVDMUPIBSA-N 443.543 5.842 30 10 IKEE COC(=O)COc1ccc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1Cl 1874637338 VHUBCORMUGEKAK-HWKANZROSA-N 429.683 5.103 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OCc2ccccc2C)c(Cl)c1 1874639020 DKAPRSIRHZXGCT-JXMROGBWSA-N 427.327 6.786 30 10 IKEE CCc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc(OC)c(OC)c3)ccc2OC)cc1 1874694158 OJHYKRFYWTUMTB-MDWZMJQESA-N 446.499 5.390 30 10 IKEE Cc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3cccc4ccccc34)c2)cc1[N+](=O)[O-] 1874708373 ZPRWGDDYGBPTPT-FYWRMAATSA-N 437.451 6.172 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1 1875117884 WTAQCKVIBAJBAE-GIJQJNRQSA-N 435.520 6.393 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)Cc1cc(C)ccc1C 1875132165 IJFIORIFJPDAFS-FMIVXFBMSA-N 448.946 6.318 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)Cc1ccccc1F 1875138403 VEXHZPWQLVTPHN-VAWYXSNFSA-N 448.490 5.504 30 10 IKEE O=C(Cc1ccccc1F)Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1Cl 1875153947 GUQFWGKRMMONTE-WYMLVPIESA-N 444.889 6.677 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc(Cl)c1OC(C)=O 1875164306 CDJKPWLHQLHJFD-NTEUORMPSA-N 436.891 6.352 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc1[N+](=O)[O-] 1875188113 OHWKVYMHONZCDN-ZRDIBKRKSA-N 439.508 5.992 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OC(C)(C)C 1922067506 BSPKRZJZXTXPKZ-PMVMPFDFSA-N 448.648 5.225 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)[C@H](CNC(=O)OC(C)(C)C)CCC12CCC2 1924918289 ARUFTAKHUHKGBP-LLJLJFOGSA-N 435.609 5.389 30 10 IKEE CC1(C)CC[C@](C#N)(Nc2ccccc2Br)[C@H](CNC(=O)OC(C)(C)C)C1 1927167196 SBPDMWFOKMQMEF-YCRPNKLZSA-N 436.394 5.474 30 10 IKEE CCCCCCC[C@H](OC)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952250675 WCVHHHSOOCPDFI-BJKOFHAPSA-N 439.552 5.354 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CC[C@@H]2NC(=O)OCc2ccccc2)c1 1959029444 FGQLMQADXUFLCK-OFVILXPXSA-N 435.524 5.088 30 10 IKEE C#CCC1(NC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)CC)CCC1 1984782846 OWKVSELMIWVISV-DFBJGRDBSA-N 444.575 5.002 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C)NCCC 2022686786 IUKUFQURKIJSHW-NHCUHLMSSA-N 438.559 5.162 30 10 IKEE CCCCCCCCCCCC[C@@H](N)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2034430816 KIDRKNXLYOGFKY-RPBOFIJWSA-N 448.692 6.735 30 10 IKEE C=C1C[C@H]1C[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCCC 2040846172 JDVMGDMKFLOWEP-ZEQRLZLVSA-N 441.660 5.270 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)C1(NC(=O)OC(C)(C)C)CC2(CCCC2)C1 2069595325 SJPJMSJDMPCEEV-HSZRJFAPSA-N 442.644 5.745 30 10 IKEE C=CCC[C@H](NCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071348054 GDYZZHWWRKOHQW-LBNVMWSVSA-N 431.576 5.822 30 10 IKEE N#C[C@@]1([C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CC=CCC1 2071348085 GLNODQXTSYDBEP-VSGBNLITSA-N 425.528 6.128 30 10 IKEE CC[C@H](c1ccc(C2CC2)cc1)n1nc(C(F)F)c(C#N)c1I 2079091077 WWPCSTCYDTXTLB-CQSZACIVSA-N 427.236 5.174 30 10 IKEE N#Cc1c(C2CCC2)nn([C@@H](c2ccc(C(F)(F)F)c(F)c2)C2CC2)c1Br 2080004117 WHEXELJEZOHPHF-QGZVFWFLSA-N 442.254 5.942 30 10 IKEE C=CCCCCCCC(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2085852554 SILBDCGSLUUFBN-UHFFFAOYSA-N 442.644 6.032 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Cl)c(Nc2cc(Br)cc(F)c2C#N)c1 2107439413 YSCVUDXYPYVTGK-UHFFFAOYSA-N 440.700 6.204 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](Nc2cc(Br)cc(F)c2C#N)CC1 2133508333 JXBSXZZNMAOUEX-UONOGXRCSA-N 426.330 5.098 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)cc(Br)cc1F 2159120551 IUHDRTZKIRKLKO-FUHWJXTLSA-N 445.348 5.075 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc2c1CCN(c1ccc(C#N)cc1Br)C2 2174815814 XMYMZPFBJCJVNE-UHFFFAOYSA-N 428.330 5.230 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1ccc(C2CC2)nc1 2181761073 AACKFFXKJYHJSH-LJQANCHMSA-N 428.330 5.728 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCCC)c2c(F)ccc(Br)c2F)C1 2197748002 IRMODZCHTPDAOX-QGZVFWFLSA-N 445.348 5.382 30 10 IKEE CC(C)(C)OC(=O)NCCCc1ccc(Nc2ccc(Br)cc2C#N)cc1 2203173503 UINTVNKWURHBLZ-UHFFFAOYSA-N 430.346 5.522 30 10 IKEE Cc1csc(C(=O)N(Cc2ccccc2)CC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2247918772 MLDIXNYRVFEJPP-UHFFFAOYSA-N 427.419 5.044 30 10 IKEE C=C([C@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(C)(C)C 2276573914 ZJADBVDLKCCUKL-NDEPHWFRSA-N 445.603 6.463 30 10 IKEE C=CCCC1([C@H](NCCC)c2ccc(Br)cn2)CN(C(=O)OC(C)(C)C)C1 2281047731 JOQYKDBZWGIGRN-GOSISDBHSA-N 438.410 5.088 30 10 IKEE CCCCC=CCCCCCCCCCCCCCC1=C(O)C(=O)C(C)=C(OC)C1=O 2294823528 REGDQUCFNLAVKM-UHFFFAOYSA-N 432.645 7.688 30 10 IKEE CCCCN1C(=O)C(=C2Sc3ccccc3N2C)SC1=Nc1ccc(O)cc1C 2295196019 KMESQZRQUHUZEG-UHFFFAOYSA-N 425.579 5.475 30 10 IKEE CCN[C@@H](C#Cc1cccc(Br)c1)C(C)(C)[C@H](CC)NC(=O)OC(C)(C)C 2296225772 YVMOFQMCNRUESE-OALUTQOASA-N 437.422 5.108 30 10 IKEE Cc1ccc(-c2ccc(C=CC(=O)c3ccc(NC(=O)c4ccco4)cc3)o2)c([N+](=O)[O-])c1 2296819175 LLERUYMPMICCLO-UHFFFAOYSA-N 442.427 5.905 30 10 IKEE CCOc1ccc(C=C2SC(=Nc3ccc(OC)cc3)N(CC)C2=O)c(OCC)c1 2297462845 RTLJLZDGBLFTKC-UHFFFAOYSA-N 426.538 5.117 30 10 IKEE C=CCOc1ccccc1C=C1SC(=Nc2cccc(C)n2)N(C2CCCCC2)C1=O 2314540709 WPBPOKAJZPHHGU-UHFFFAOYSA-N 433.577 5.892 30 10 IKEE CC(=C1SC(=Nc2nc(C)cs2)N(c2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1 2314544381 ZVEZBJQUMFJSPS-UHFFFAOYSA-N 436.518 5.558 30 10 IKEE CC(C)[C@@H]1C[C@](C#N)(Nc2ccccc2Br)CN1C(=O)OCc1ccccc1 2321532925 QUBYSWNQBFEDEO-RBBKRZOGSA-N 442.357 5.190 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc3c2CN(CCc2ccc(F)cc2)CO3)C1=O 2321935022 ONMCFIQWLDEAMV-UHFFFAOYSA-N 445.490 5.235 30 10 IKEE CC[C@H](C)N1COc2c(cc3c(c2C)OC(=Cc2ccccc2Br)C3=O)C1 2322371080 RSQXZBWTTZSGPB-ZDUSSCGKSA-N 428.326 5.324 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1cccc(OCC(=O)Nc2ccccc2)c1 2323301554 JFPLODQZPCFOBL-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3ccccc3F)c2)cc1Cl 2323310280 MLFUJPQPCXARPC-UHFFFAOYSA-N 439.870 5.401 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1)Nc1ccccc1 2323345075 IHQKHVXXQIMYQQ-UHFFFAOYSA-N 433.507 6.267 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)COc4ccc(Cl)cc4)cc(C)c3C2=O)cc1 2323532620 XDHGVZWEIMRYOI-UHFFFAOYSA-N 434.875 5.557 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(Cl)c2)cc(OC)c1OCc1ccccc1C 2323775086 YXUKAOOYOXRNSZ-UHFFFAOYSA-N 432.947 6.861 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OCc1ccc(Cl)cc1Cl 2323873126 SRLYGAUZQTURRS-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE Cn1cc(C=C2Oc3cc(OC(=O)CCc4cccs4)ccc3C2=O)c2ccccc21 2323974847 DKLWXPXCMWINSF-UHFFFAOYSA-N 429.497 5.394 30 10 IKEE Cc1cc(O)c(CN2CCCC[C@@H]2CCO)c2c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O2 2324140850 AAXMMXPSUZKZAX-OAQYLSRUSA-N 449.591 5.351 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OCc1c(F)cccc1Cl 2324261399 DSTHIHRWLSWNNB-UHFFFAOYSA-N 432.825 6.241 30 10 IKEE CCCOc1c(OCC)cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc1[N+](=O)[O-] 2324266068 MCXUFNNUHNRGME-UHFFFAOYSA-N 441.524 6.119 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1ccccc1C)C2=O 2324339252 OFPGFHMSTGSUCU-LJQANCHMSA-N 441.527 5.888 30 10 IKEE COC(=O)c1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 2324357060 ONLPRQJMEKCINO-QFIPXVFZSA-N 442.540 5.365 30 10 IKEE Cc1ccc(OCCCOc2ccc3c(c2C)OC(=Cc2ccccc2Cl)C3=O)cc1 2324547503 GFSKJWHKWOSAQM-UHFFFAOYSA-N 434.919 6.421 30 10 IKEE CCOC(=O)c1ccc(COc2ccc3c(c2C)OC(=CC=Cc2ccccc2)C3=O)o1 2325402328 NLGTWKMPLCAAHF-UHFFFAOYSA-N 430.456 5.516 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3)n2N=Cc2cccc(O)c2)c1 2325441891 WOERTTWXBQORMM-UHFFFAOYSA-N 428.561 5.252 30 10 IKEE Cc1ccc2nc(-c3ccc(NC(=O)C(=O)C=Cc4ccccc4Cl)cc3)sc2c1 2325551088 IJBWPELLVNLGPO-UHFFFAOYSA-N 432.932 6.146 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc([N+](=O)[O-])cc1 2325610396 AIAMMLXZCYGUPS-UHFFFAOYSA-N 436.324 5.230 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OC(=O)COc1c(C)cccc1C 2325737942 SCVYSBPHXRCSRZ-UHFFFAOYSA-N 430.500 5.501 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OCC(=O)Nc3cccc(C)c3C)cc(C)c2C1=O 2325738278 DVQZMEGXOZQONE-UHFFFAOYSA-N 427.500 5.554 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(C(C)C)cc3)c2)cc1OC 2325750564 BXWDHOAARYDKCL-UHFFFAOYSA-N 444.527 5.871 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1OC(=O)Cc1ccc(F)cc1F 2325750861 YPLOUUKYTQSXNC-UHFFFAOYSA-N 426.390 5.157 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cccc([N+](=O)[O-])c3)c2)c(C)c1C 2325755719 OZJUCYCYNWXVKF-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccccc3)c2)c(OCC)c1 2325762252 FVGXHUPNBAUTSA-UHFFFAOYSA-N 446.499 5.608 30 10 IKEE O=C(Oc1cccc(C=CC(=O)c2cc(Cl)ccc2Cl)c1)c1ccc(F)c(F)c1 2325774571 PTVRYRBSRBYMAX-UHFFFAOYSA-N 433.237 6.387 30 10 IKEE CCOc1cccc(C(=O)Oc2cccc(C=CC(=O)c3cc(Cl)ccc3Cl)c2)c1 2325774575 SWDYTSNILPYODL-UHFFFAOYSA-N 441.310 6.507 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccc(F)cc1 2326017672 NHUOQQVFXMEYGD-UHFFFAOYSA-N 430.936 5.243 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccc(C)c(C)c3)n2N=Cc2ccc[nH]2)cc1 2328769712 ZQOZFFWQHRGFOO-UHFFFAOYSA-N 431.565 5.285 30 10 IKEE Cc1ccc(CCc2nnc(SCc3cccc(F)c3)n2N=Cc2ccc[nH]2)cc1C 2328936451 QLTSTURIJMTISR-UHFFFAOYSA-N 433.556 5.322 30 10 IKEE Cn1cccc1C=Nn1c(CCc2cccs2)nnc1SCc1cccc(Cl)c1 2329687364 AYWDEWNCOMPLIW-UHFFFAOYSA-N 442.013 5.291 30 10 IKEE Cc1ccsc1C=Nn1c(Cc2ccc(F)cc2)nnc1SCCc1ccccc1 2329846350 SKDHBNSIXCODHL-UHFFFAOYSA-N 436.581 5.595 30 10 IKEE CCc1ccc(C=Nn2c(COc3ccccc3)nnc2SCc2cccc(F)c2)cc1 2329898447 FQVHWPZJNQRFHR-UHFFFAOYSA-N 446.551 5.733 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2ccccc2Cl)nnc1[C@H](C)c1ccccc1 2330110313 JZAQJAUSPAHVIP-LJQANCHMSA-N 447.007 6.566 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2cccs2)n1N=Cc1ccc([N+](=O)[O-])cc1 2330330535 GIGOGTGHZMOKPQ-UHFFFAOYSA-N 449.561 5.322 30 10 IKEE Cc1cccc(CSc2nnc(-c3cccs3)n2N=Cc2ccc([N+](=O)[O-])cc2)c1 2330549294 JWCRAGYRIRUOCY-UHFFFAOYSA-N 435.534 5.398 30 10 IKEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)CCc1ccccc1 2330647957 RQOKNEUKAQSSLW-UHFFFAOYSA-N 431.444 5.038 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1 2330679558 GJTLYVFIKWMXCO-UHFFFAOYSA-N 440.539 6.008 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)CCCC4)cc2Cl)c1 2330684499 JQXOSRDGWGBQCA-UHFFFAOYSA-N 444.958 6.951 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)cc3)c(OCC)c2)cc1 2330841025 YRENUXLIGMCNJH-UHFFFAOYSA-N 442.555 6.852 30 10 IKEE Cc1ccccc1CSc1nnc(C2CCCC2)n1N=Cc1cc(Cl)ccc1O 2331030622 PVOVULAWCYCVBU-UHFFFAOYSA-N 426.973 5.778 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)cc1)c1ccc(F)cc1F 2331084372 KGRMLJNECJISGA-RTWAWAEBSA-N 438.857 6.223 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OC(=O)c1ccc(N(C)C)cc1 2331159556 MACRVEUPWYGKLI-UHFFFAOYSA-N 435.907 5.530 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccco3)n2N=Cc2ccccc2)c(Cl)c1 2331228644 YUZUJPGCIOBFEU-UHFFFAOYSA-N 429.332 6.019 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)c1ccc(N(C)C)cc1 2331231497 QYBKNMRSCHQXRK-UHFFFAOYSA-N 443.543 5.883 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2OC)cc1 2331232615 JGHUSNGGWLKOLD-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(Cl)cc2)cc1)c1ccc(Cl)c(Cl)c1 2331239073 NEJBDSZCETYKFP-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(C)c3)cc2Cl)cc1 2331337181 GJAHDROCDSIVBT-UHFFFAOYSA-N 438.882 5.840 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)c1ccccc1C 2331347103 VYQOPLLVRVREDZ-UHFFFAOYSA-N 444.502 6.295 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC(=O)c1cccs1 2331447374 LYQOFELUHRMZGB-UHFFFAOYSA-N 448.496 5.329 30 10 IKEE CCCOc1c(C=Nn2c(CC(C)C)nnc2SCc2ccccc2)cccc1OC 2331453515 ASOVHQRTDCMWFK-UHFFFAOYSA-N 438.597 5.449 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1cccs1 2331470993 CIBPVJOLFHDHNU-UHFFFAOYSA-N 425.410 6.019 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(OC(C)=O)cc1 2331535417 ADVRCIGOIIAFCZ-UHFFFAOYSA-N 448.446 5.265 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc([N+](=O)[O-])c1OC(C)=O 2331595758 MZHVXLAEHVRNID-UHFFFAOYSA-N 447.443 5.607 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CC(C)C)c(Br)c2)c(C)c1C 2331615240 DTOBZGFIEXKJJR-UHFFFAOYSA-N 445.353 5.922 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)cc(OC)c1OC(=O)c1ccco1 2331630476 RRMOKJXMFPFFQN-UHFFFAOYSA-N 446.499 5.757 30 10 IKEE CC(C)c1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(C(=O)O)cc1 2331705735 GHKGXTQSPIBQOF-UHFFFAOYSA-N 430.533 5.427 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)ccc1OC(=O)[C@@H]1CCCO1 2331757787 PCBGQNVBULGTNT-NRFANRHFSA-N 444.911 5.036 30 10 IKEE CN(c1cc(Br)cc(F)c1C#N)[C@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]12 2357062338 VYLLHIHUUMEDAR-DKXUYOFUSA-N 429.333 5.280 30 10 IKEE O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@@H](c1ccccc1Cl)n1c(nc3ccccc31)N2 19639365 BWXHKNBEDGYJPW-PUAOIOHZSA-N 443.909 6.245 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(C(C)(C)C)cc2)C3)cc1 20881583 VRVFVDFZLXUVLB-NFBKMPQASA-N 431.576 5.777 30 10 IKEE CCc1ccc([C@@H]2C3=C(C[C@H](c4ccc(O)c(OC)c4)CC3=O)Nc3onc(C)c32)cc1 33321102 WBGLFIYLTVLZBJ-UUOWRZLLSA-N 430.504 5.218 30 10 IKEE Cc1ccc(Sc2ccc(/C=C\C(=O)c3ccc4c(c3)OCCO4)cc2[N+](=O)[O-])cc1 35339494 FBAHZRWNPAFDAT-WTKPLQERSA-N 433.485 5.722 30 10 IKEE O=C(/C=C/c1ccc(F)cc1)c1ccc(OC(=O)c2ccccc2Br)cc1 35343038 ACAIZQCCTPLUCK-VGOFMYFVSA-N 425.253 5.704 30 10 IKEE Cc1occc1C(=O)Nc1cccc(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 39850965 IRJIOBAKBIQGTL-PKNBQFBNSA-N 442.427 5.905 30 10 IKEE CCCCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/Nc2ccccc2)CCC3)cc1 40824189 HPIHCIMXMLNOSP-QUPMIFSKSA-N 431.536 6.172 30 10 IKEE Cc1cc(OC(=O)c2cccc(F)c2)cc2c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O2 41430689 LDPRZKJWURAEAD-QRVIBDJDSA-N 430.475 6.267 30 10 IKEE NC(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)=N\OC(=O)/C=C/c1ccccc1 53598325 GIGPKEDHIRTCTB-MKKAVFGOSA-N 428.332 5.266 30 10 IKEE Cc1ccc(/N=C2\C(=O)N(CN(C3CCCCC3)C3CCCCC3)c3ccccc32)c(C)c1 59377554 SCAWRJAKZPWUAQ-HYOGKJQXSA-N 443.635 6.696 30 10 IKEE O=C(CSc1nc2ccc(/N=C/c3ccc(Br)cc3)cc2s1)NC1CC1 59517538 LBLRSWWRTHKONI-UFFVCSGVSA-N 446.395 5.180 30 10 IKEE C=CCN1C(=O)c2c(sc3c2CCCC3)N[C@@H]1SCc1cccc(Cl)c1Cl 96592225 AHOXELPSWZCGFT-FQEVSTJZSA-N 439.433 6.204 30 10 IKEE CCCCCCCCCCCCCCC#CC#CCCCC(=O)ON1C(=O)CCC1=O 97978651 HDVXHHDOINRKHO-UHFFFAOYSA-N 429.601 5.862 30 10 IKEE C/C=C/Oc1ccc(C(=O)/C(=C/c2ccc(C(=O)OC)cc2)c2nc3ccccc3o2)cc1 98037244 MQZYHEQYODWQPD-KNLQTVQXSA-N 439.467 5.950 30 10 IKEE CCCCCCCCCCCn1c(CCCNC(=O)c2ccccc2)nc2ccccc21 102148811 POBCMQLBNDVUSV-UHFFFAOYSA-N 433.640 6.930 30 10 IKEE CCCCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2C)S/C1=N\Cc1ccccc1 102153186 PBFNGFZVZGQPST-NBGSVBRJSA-N 439.606 5.338 30 10 IKEE CCCCCCCCCCCn1c([C@H]2CC(=O)N(C3CCCCC3)C2)nc2ccccc21 102212703 MWSXTBNNKUWKNK-QHCPKHFHSA-N 437.672 7.216 30 10 IKEE CCCCCCCCCCCCC/C=C\[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CO 103676992 CTHUQQFNFRTUSM-JBXCXHGRSA-N 439.681 6.977 30 10 IKEE CCCCCOc1ccc(/C=N\n2c(S)nnc2-c2ccccc2OCC)cc1OC 169912183 JCYWEMFXRFAHQH-JLPGSUDCSA-N 440.569 5.092 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2cc(C)ccc2C)cc1 169924643 UKNBMBZGTXQECL-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2cccs2)c1 169928493 DMJATBPDJURTIM-HXUWFJFHSA-N 439.920 5.189 30 10 IKEE CCCN1C(=S)N[C@@H](c2ccccc2OCc2ccccc2Cl)C(C(C)=O)=C1C 169930198 VONKAELFEVBODE-QFIPXVFZSA-N 428.985 5.423 30 10 IKEE CCN1C(=S)N[C@H](c2ccccc2OCc2ccccc2Cl)C2=C1CCCC2=O 169932969 UPZHAKDUODSNND-JOCHJYFZSA-N 426.969 5.177 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(Oc3ccc(C(C)C)cc3)cc2)NC(=S)N1 169938231 TYPQVUCGNQUMIQ-VWLOTQADSA-N 442.584 6.278 30 10 IKEE CCCOc1c(OCC)cc(/C=N\Nc2nc(-c3cccs3)cs2)cc1[N+](=O)[O-] 169942268 UFQAYYOPKWNNRV-JAIQZWGSSA-N 432.527 5.413 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1cccc(OC(C)C)c1 169980992 SLOGDNKHSUIVDK-DEOSSOPVSA-N 435.564 5.805 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@H]2c2cccnc2)c1 170009292 ZXBJMHKVRLRYIS-QFIPXVFZSA-N 448.906 5.225 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2C)c1 170086292 NWGWCRGNUBCRCP-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE COCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(C(C)(C)C)cc1 170149553 SZYSDEFVBOHTAQ-XMMPIXPASA-N 443.543 5.362 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccn1)c1ccc(Cl)c(Cl)c1 170173196 VYARUEYKVQOQBY-IBGZPJMESA-N 425.271 5.171 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)c(C)c2)[C@H]1c1c[nH]c2ccccc12 170255435 FPHNZQOCEOEECJ-XMMPIXPASA-N 446.547 5.644 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccc(O)c2)c1 170259432 VUDUUJAVHZPOIU-XMMPIXPASA-N 443.499 5.272 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccc2C)c(C)c1 170271373 KQAAUMUBQLBDHD-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccco2)cc1C(C)C 170290089 IFQDFYAGJRZBAD-QHCPKHFHSA-N 431.488 5.503 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@H]2c2ccc(C)o2)cc1 170300769 AJTIMFLRKARWQQ-HSZRJFAPSA-N 431.488 5.250 30 10 IKEE C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCC)c1 170324326 JEAVXWWVNMTCGH-XMMPIXPASA-N 431.532 5.119 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(O)c1)c1ccco1 170386103 QKLCONDQPAYDLA-SFHVURJKSA-N 430.243 5.075 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2cc(C)ccc2O)cc1 170454225 LMDWFSIYMDIHAF-DEOSSOPVSA-N 436.552 5.062 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(OC(C)C)cc1 170473345 JIFOIEGIDSUEMJ-VWLOTQADSA-N 449.591 6.287 30 10 IKEE CCCCCCCCCCn1c([C@H](C)NC(=O)/C=C/c2ccccc2)nc2ccccc21 205700068 BKVDIIFTJLSEMZ-AINLKENTSA-N 431.624 7.068 30 10 IKEE C=CCn1c(SCCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccc2ccccc2c1 253577785 XMEALOWQNMAOAF-UHFFFAOYSA-N 448.979 6.059 30 10 IKEE CCCCCCC[C@@H](NCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 406957235 PHVPUTCPEZVWHL-LJQANCHMSA-N 427.427 6.807 30 10 IKEE CCCOc1cccc([C@H]2C(c3cccc(OC)c3)=C(O)C(=O)N2c2cccc(C#N)c2)c1 526515172 IAGHKRGVYXVTTI-VWLOTQADSA-N 440.499 5.413 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(OC)cc2)cc1 526602922 CRFRAPNNZDRRCV-XMMPIXPASA-N 426.472 5.023 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccc(OC(C)C)c2)c1 526607178 SNUXPVPPPVYQCK-RUZDIDTESA-N 440.499 5.411 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1ccc(OC(C)C)c(OC)c1 526804346 OSSAJJDOHVKMPO-MYYYXRDXSA-N 438.597 5.509 30 10 IKEE COc1cc(/C=N\n2c(C)nnc2SCc2c(F)cccc2Cl)ccc1OC(C)C 526817850 ZYYOTZFDSACVBN-MYKKPKGFSA-N 448.951 5.349 30 10 IKEE CCCCCCCCN(CCCCCCCC)C(=O)[C@H](/N=N\c1cccc(C)c1)C(C)=O 585663448 UBNJMAGPJLELKI-UROUKBCVSA-N 443.676 7.586 30 10 IKEE C=CCCN(c1ccc(OCC(C)C)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586243431 NAYBXBLJOSQZEX-UHFFFAOYSA-N 428.381 5.800 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1cc(F)cc(Cl)c1 698410563 ZGERERXMSKPFCZ-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE C[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Br)c2)c2ccccc21 698455649 FSBRYHRZSSQKME-QRQCRPRQSA-N 427.342 6.117 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@@]1(C#N)CCc2ccc(Br)cc21 698850345 IUNPTAFWNHKONK-OAQYLSRUSA-N 431.305 5.695 30 10 IKEE CC(C)(C)OC(=O)N(CC1CC1)[C@H](C#N)c1ccc(Br)c(Br)c1 698966719 IWIIKHXLSBIESZ-OAHLLOKOSA-N 444.167 5.423 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 698975866 AYPIZKHSDSSLMI-YADARESESA-N 447.551 5.639 30 10 IKEE CC(=NOCc1ccccc1C#N)c1cc(-c2ccc(F)cc2)n(-c2cccc(C)c2)c1C 1082785385 HLNPWUWOEAAEOC-UHFFFAOYSA-N 437.518 6.713 30 10 IKEE Cc1ccc(C=NNc2nc(SCC(=O)N(c3ccccc3)c3ccccc3)n[nH]2)cc1 1083892676 LBOSSWYDJCAARP-UHFFFAOYSA-N 442.548 5.016 30 10 IKEE Cc1ccc(-c2nc(N=Cc3ccc([N+](=O)[O-])cc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 1084154033 VXMFAAQYUHKXSM-UHFFFAOYSA-N 444.472 6.353 30 10 IKEE COc1cccc(/C=C2\SC(=Nc3cccc(C)n3)N(c3ccccc3)C2=O)c1OC 1772734081 BNEHAQLJUYUNPH-UTXXGPSKSA-N 431.517 5.216 30 10 IKEE Cc1cc(Cl)ccc1NC(=O)c1oc2c(c1C)C(=NNc1ccc(F)cc1)CCC2 1772749867 UABSMYVUQBKZIJ-UHFFFAOYSA-N 425.891 6.094 30 10 IKEE CCc1ccc(-c2cc(C(=O)Nc3ccccc3C#N)nn2Cc2ccccc2Cl)cc1 1859400396 OWMXIRSEEBWUNB-UHFFFAOYSA-N 440.934 5.938 30 10 IKEE CCC(CC)C(=O)Nc1cccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1 1860089617 JBNQUHGPKWMHIK-OAHLLOKOSA-N 439.581 5.137 30 10 IKEE CCCCCCCCNC(=O)[C@H](NC(=O)Cc1ccc(OCCC)c(C)c1)[C@H](C)CC 1860988760 WVEKBVHIKYFDKQ-CJFMBICVSA-N 432.649 5.334 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(F)cc2F)=C(O)C(=O)N1C1CCCCCCC1 1862411182 BFDZVRIAWMNKGE-HSZRJFAPSA-N 439.502 5.964 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)c1 1862456407 QZZCHNKRVFOWRM-YFYZNPQRSA-N 443.465 5.569 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(Cl)cc1Cl 1862467527 RTFSZBGXNIVLLT-MRXNPFEDSA-N 430.209 5.009 30 10 IKEE CCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C)cc1 1862475295 IGPOZQGAPUKLJV-SANMLTNESA-N 447.619 7.022 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(F)cc2F)cc1 1862477708 PGLZEZPUYHLLFL-HSZRJFAPSA-N 433.454 5.360 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccccc2F)cc1 1862501736 JCJODEHHOVWVNK-HSZRJFAPSA-N 433.454 5.360 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(C)cc1 1862507631 QCCXFNVYXPVJAC-ZJSXRUAMSA-N 437.555 6.380 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(CC)cc1 1862524773 MXMMLRSKYYDVTE-HXUWFJFHSA-N 442.353 5.390 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@H]2c2ccc(C)cc2)cc1 1862534353 RSWURIHJJOBMBS-DEOSSOPVSA-N 445.946 5.989 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccccc1)c1ccc(Cl)c(Cl)c1 1862580583 NVCFISDEPVFTNK-OAQYLSRUSA-N 444.358 6.295 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2ccc(Cl)cc2)cc1 1862590929 BUTFRABNWRPBRI-QHCPKHFHSA-N 447.918 5.175 30 10 IKEE CN(C)c1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862598397 UUGYRYSHQYUUBB-DEOSSOPVSA-N 448.563 5.149 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1c(F)cccc1Cl 1862620378 QVSUVMHEQNVRHK-SPLOXXLWSA-N 443.946 6.153 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(OCCCC)cc1 1862622559 FUBWZBJLSFLPOW-XMMPIXPASA-N 447.575 5.927 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCCCO)[C@@H]1c1ccc(Cl)cc1)c1cccc2ccccc12 1862652142 FBNDMMVNFJXZOL-HSZRJFAPSA-N 449.934 5.234 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2Cc2ccccc2)c1 1862652357 HIXFOTZOZIDBEK-SANMLTNESA-N 449.506 5.627 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862654610 OFAXBVDZRXQHDQ-BXKMTCNYSA-N 429.516 5.615 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc2ccccc12 1862719591 NHACCJGEDQYVNV-SANMLTNESA-N 435.523 6.227 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862724886 WMTVMHPBWQDOOB-NIYFSFCBSA-N 439.555 6.293 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccccc1F)c1cccc([N+](=O)[O-])c1 1862735641 PGPDWUFDRCOJOE-OAQYLSRUSA-N 438.455 5.035 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc3c(O)cccc23)=C(c2cccs2)C1=O 1863477241 SKKCQUIQMKKVKD-UHFFFAOYSA-N 448.588 6.159 30 10 IKEE C=CCOc1cn(C[C@H](c2ccccc2)N2CCCC2)c(CNc2cccc(C)c2)cc1=O 1870812210 QOHZIOFZZFOMFD-AREMUKBSSA-N 443.591 5.171 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)cc2)c(=O)cc1CNc1ccc(F)c(Cl)c1 1870861549 IISMYDRKUOVAFY-UHFFFAOYSA-N 433.310 5.671 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O3)CN(CCc1ccccc1)CO2 1871344267 AXMHLPDXWGNOEW-QQXSKIMKSA-N 439.555 6.129 30 10 IKEE O=C(Cc1ccc(Cl)c(Cl)c1)Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O 1871377081 TZVUJGRWGMPHSG-NHDPSOOVSA-N 443.257 5.897 30 10 IKEE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871383054 KOCYZXWHLJTLRY-CFRMEGHHSA-N 448.902 6.210 30 10 IKEE C[C@H]1C[C@H](C)CN(Cc2c(O)ccc3c2O/C(=C\c2ccc(-c4ccccc4)cc2)C3=O)C1 1871396404 DEHKROJBJUEZOO-KBDKCKGXSA-N 439.555 6.153 30 10 IKEE C[C@@H](Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O)C(=O)Nc1ccc(F)cc1 1871401239 XINUJJNEUKOXSF-JCRYTKJOSA-N 437.854 5.501 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OCCCCOc3ccc(C)cc3)ccc2C1=O 1871403694 VCBMBSLJOSXLGH-ONUIUJJFSA-N 430.500 5.858 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccccc4)c3C)C2=O)cc1 1871407744 ZPVFOFODYRSMCF-XYLCRUHJSA-N 429.472 5.026 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4cccc(C)c4)c3C)C2=O)cc1 1871456415 CYLGZBDBJDNJDO-IWIPYMOSSA-N 443.499 5.336 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(C)cc2)[nH]c(N(CCC)CCC)n1 1871478957 GZFZUVUWMASVBD-UHFFFAOYSA-N 440.680 6.525 30 10 IKEE CC(C)c1ccccc1O[C@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872759946 DAWHCFXRSPPTGS-WZONZLPQSA-N 444.600 6.456 30 10 IKEE C[C@H](Oc1ccc(Cl)cc1)C(=O)[C@H](C#N)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872760059 GINVSELFVMEGCL-BTYIYWSLSA-N 436.964 5.986 30 10 IKEE N#C[C@@H](C(=O)c1ccccc1Br)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872760786 XQSLEAALIMDOJL-SFHVURJKSA-N 437.362 5.941 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc2nc(CCCOc3ccccc3C)[nH]c2c1 1872810819 FPELETQXNODCOY-UHFFFAOYSA-N 449.639 6.753 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(C)c(Cl)c2)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873276925 VLZMMALZIFAGMQ-UHFFFAOYSA-N 428.919 5.693 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc([N+](=O)[O-])cc2C)=C(c2ccccc2C)C1=O 1873305501 IFVOGASRWQRQRD-UHFFFAOYSA-N 449.551 5.764 30 10 IKEE CCCCCCCCCCNc1cnn(-c2ccc(Cl)c(Cl)c2)c(=O)c1Cl 1873524272 PWVJZPBRJFCTKR-UHFFFAOYSA-N 430.807 6.745 30 10 IKEE CCCCCCCCCCNC(=O)CCCC(=O)N1CCc2[nH]c3ccccc3c2C1 1873936639 LMUYPDZQLMWELW-UHFFFAOYSA-N 425.617 5.480 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1cccc(OCC)c1 1874327656 VSEDQXLAXAGHRG-AFUMVMLFSA-N 436.581 5.423 30 10 IKEE Cc1ccc(CSc2nnc(COCc3ccccc3)n2/N=C/c2sccc2C)cc1 1874352594 RNIGUXULKLTRRF-AFUMVMLFSA-N 448.617 5.848 30 10 IKEE C=CCSc1nnc(-c2ccccc2Cl)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874365595 KYRUCVXHKFWIAO-SSDVNMTOSA-N 435.336 5.126 30 10 IKEE Clc1cccc(CSc2nnc(-c3ccccc3Cl)n2/N=C/c2ccccc2)c1 1874368070 MMKVTXDAVHQMDY-AFUMVMLFSA-N 439.371 6.426 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3)n2/N=C/c2ccc(O)cc2)c1 1874403775 RNRUOHQTVCSIQF-WPWMEQJKSA-N 442.588 5.560 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2-c2cccs2)cc1 1874424619 VAHAINPDKAXWFE-WSDLNYQXSA-N 426.954 5.540 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2-c2ccccc2)cc1 1874426760 ZCAJFIIYYJLBSC-WPWMEQJKSA-N 446.551 6.048 30 10 IKEE Cc1cccc(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2ccc(Cl)c(Cl)c2)c1 1874448245 XBKJCZGLQCZGST-OGBFJMLUSA-N 447.391 5.919 30 10 IKEE Fc1ccccc1/C=N/n1c(SCc2cccc3ccccc23)nnc1[C@H]1CCCO1 1874449719 KCZXHXVLLHHDSJ-QVGKIPNLSA-N 432.524 5.596 30 10 IKEE Clc1cccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CCCC2)c1 1874457507 RSCIFTMPGWCHLS-ZMOGYAJESA-N 431.392 6.417 30 10 IKEE C=C(C)CSc1nnc(C)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 1874532453 JSRKEZGPTVVTQW-WYMPLXKRSA-N 442.972 5.378 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(Br)c1OCCCO 1874602808 AASDKJKWXPRAPV-JXMROGBWSA-N 441.321 5.268 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc(F)c2)c(Br)c1)c1ccc(F)cc1F 1874611788 RGBAMLWAGZBBQG-XBXARRHUSA-N 447.250 6.342 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Br)c1OCCCO 1874618624 KUEBSEBETNWPMI-CMDGGOBGSA-N 433.342 5.122 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c1 1874620620 KNUJPCLRXSGMHD-IZZDOVSWSA-N 438.907 5.841 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccc2c(c1)OCO2 1874622735 SMFCUSOEXWVSIK-YCRREMRBSA-N 427.283 6.197 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(/C=C/C(=O)c3cccc4ccccc34)cc2)c1C 1874623722 RMFIDXGDCUGPFZ-OBGWFSINSA-N 435.523 6.370 30 10 IKEE Cc1ccc(C)c(COc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2Br)c1 1874624942 DRIKGAZTEZKGSR-VZUCSPMQSA-N 439.324 6.680 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccc(C)cc1C 1874633322 WWXFAVSRFMHXNI-XYOKQWHBSA-N 443.543 5.842 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)c1ccccc1 1874659697 FCYSXODNBINVOZ-QFQXNSOFSA-N 447.623 5.476 30 10 IKEE Cc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)c2)cc1C 1874693753 UNJBINDTGDRMEP-RVDMUPIBSA-N 440.539 6.063 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccccc2)CSc2nnc(-c3cccs3)n21 1874948596 HWAKOLDARAGKOA-LJQANCHMSA-N 440.638 6.069 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1ccc(C)cc1 1875095496 SMUCJUGTSOMGKC-MHWRWJLKSA-N 436.507 6.662 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(OC)c1OC(=O)c1ccccc1 1875096456 PBBYCTXGFMLSJU-NTCAYCPXSA-N 438.479 5.972 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc([N+](=O)[O-])c1OC(=O)CC(C)(C)C 1875103024 KSHIWOKSJINVST-JLHYYAGUSA-N 439.508 5.794 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)COc1c(C)cccc1C 1875120496 WIRWXRXVZWYBIB-WYMLVPIESA-N 446.499 5.201 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)c(Cl)c1)c1ccccc1 1875128365 WRCJVNQWCUMUII-FRBHRHKVSA-N 437.322 6.599 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)c(C)c3)c([N+](=O)[O-])c2)c(C)c1 1875135109 ZQVZYSLUJKFWTL-DHZHZOJOSA-N 443.499 5.873 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)cc2)ccc1F 1875141062 LPNHSVHQWGYXKY-QDGSLSSCSA-N 446.518 6.527 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(C)c3)cc2OC)cc1 1875142907 ZEVJPIZTLHBRTM-WLRTZDKTSA-N 434.463 5.657 30 10 IKEE CCCC[C@](C#N)(CC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875634756 SSLGELLZCDONQY-VMPREFPWSA-N 443.587 6.988 30 10 IKEE C=CCCN(Cc1ccccc1)c1ncc(I)cc1Br 1882958298 GYFNSMSRRZXSFQ-UHFFFAOYSA-N 443.126 5.031 30 10 IKEE Cc1cc(Nc2ccc(NC(=O)Cc3ccc(C#N)cc3)cc2)nc(NC2CCCCC2)n1 1891429244 BSVOFNDDFNKODW-UHFFFAOYSA-N 440.551 5.326 30 10 IKEE CCCN(C(=O)OC(C)(C)C)[C@]1(C#N)[C@H](CNC(=O)OC(C)(C)C)CCCC12CCC2 1924834923 XMKRBLNLIVQDOV-MHECFPHRSA-N 435.609 5.391 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C 1926613677 BZVOGIGIQOUPFN-BJKOFHAPSA-N 430.633 5.601 30 10 IKEE C=CCC[C@@H](C)SCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1955233566 AFOVANOCJJRWGD-UZUQRXQVSA-N 439.577 5.456 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@H]1CN(C(=O)OC(C)(C)C)C2(CCCC2)C1 2003112961 ZHMOVXRVSDTJBL-XZOQPEGZSA-N 428.617 5.307 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2ccc(NC(=O)OC(C)(C)C)cc2)cc1 2031668073 WFKVASLERYPQCL-OAQYLSRUSA-N 437.540 6.348 30 10 IKEE COc1cccc([C@H](CN=Cc2cc(C)n(C3CC3)c2C)c2c[nH]c3ccccc23)c1OC 2040497196 DODKOPWPASHMAM-DEOSSOPVSA-N 441.575 6.189 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)c(Br)c1)NCCC 2063090202 LGUMLUOQTVQDAF-IAGOWNOFSA-N 431.802 5.093 30 10 IKEE CC[C@@H](c1ccc(C2CCC2)cc1)n1nc(C(F)(F)F)c(C=NO)c1Br 2080002788 CRATURGSLWZBEK-HNNXBMFYSA-N 430.268 5.739 30 10 IKEE CCc1nn([C@@H](c2ccc(C(F)(F)F)cc2)C(C)(C)C)c(Br)c1C=NO 2080048844 YJXANYBHCKIBAB-HNNXBMFYSA-N 432.284 5.670 30 10 IKEE CCCCCC#CC[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2083385440 FMYZSXDAIYAWTR-MHZLTWQESA-N 428.572 6.852 30 10 IKEE CC[C@H](C)C[C@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)NC(C)C 2086490060 GZYPEGMHYPQOHV-LSYYVWMOSA-N 434.672 5.317 30 10 IKEE CC[C@@](C#N)(CCC(F)(F)F)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2087990805 FHPRJNUJHBZEOA-KRWDZBQOSA-N 435.284 6.205 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)C1CC2(C1)CC2(F)F 2130896707 XPEPFXPJYPJAKN-KVIBHRHWSA-N 427.289 5.518 30 10 IKEE C#CCCCCC[C@@H](NCCC)c1ccc(Br)cc1I 2207266841 HNGGXEUUQAZWGI-QGZVFWFLSA-N 448.186 5.678 30 10 IKEE CC1(C)OB(c2cnc(SCCCCCC3CC3)c(Br)c2)OC1(C)C 2227210725 XOHKDWDYUGIPLT-UHFFFAOYSA-N 426.229 5.206 30 10 IKEE CCCCC#CC[C@H](NC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237410110 MCMQKCNGEGBIHM-VQTJNVASSA-N 437.422 5.057 30 10 IKEE CCN[C@@H](C#Cc1cccc(Cl)c1)c1csc(Br)c1Br 2239467873 MYMSQLRCLVNGQY-ZDUSSCGKSA-N 433.596 5.629 30 10 IKEE C=CCCC1([C@@H](N)Cc2cc(Cl)ccc2Br)CN(C(=O)OC(C)(C)C)C1 2266313993 ZIIWTRFQLUNWFI-KRWDZBQOSA-N 443.813 5.176 30 10 IKEE C=C([C@H](OCCCN)c1cc(Br)c(Br)s1)[Si](C)(C)C 2276538399 ZUJJZXJPNJCOJI-LBPRGKRZSA-N 427.278 5.113 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1cc(Br)cc(C(C)(C)C)c1 2288663995 RLQSVCZEWIXDFT-MOPGFXCFSA-N 437.422 5.314 30 10 IKEE Cc1cc(C)cc(N=C2NC(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)S2)c1 2294025448 ZEAPQUSEFZZJJT-UHFFFAOYSA-N 433.489 5.672 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@H](C#N)[C@@]1(C)CCCCN1C(=O)OC(C)(C)C 2302616856 BQTVACORAQIQCJ-FDDCHVKYSA-N 449.617 5.557 30 10 IKEE CCc1cccc(C)c1-n1c(C)cc(C=C2SC(=Nc3cccc(C)c3C)NC2=O)c1C 2313556256 SURKVJOKZGNQOS-UHFFFAOYSA-N 443.616 6.473 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C(=O)C=Cc3c(Cl)cccc3Cl)cc2)cc1 2314429335 DTDUBNPEQCOIRH-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE CCCN[C@H](C#CC1(OC)CCCCC1)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 2316387312 MXFAMDRRNDUYJJ-XMMPIXPASA-N 442.644 5.535 30 10 IKEE Fc1ccc(Br)cc1C=Nn1c(SCc2ccccc2)nnc1C1CC1 2320851478 OJEQFAKCDOKWSM-UHFFFAOYSA-N 431.334 5.232 30 10 IKEE Sc1nnc(-c2cccs2)n1N=Cc1cccc(OCc2ccccc2Cl)c1 2321908003 DXJISUSDFULOND-UHFFFAOYSA-N 426.954 5.410 30 10 IKEE CCCCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1c(Cl)cccc1Cl)C3=O 2322083192 CSDCYZJQFGIDNS-UHFFFAOYSA-N 446.374 6.650 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(Cl)cc1)O3)CN(CCc1cccs1)CO2 2322194691 HWLZHKKFTBBDNY-UHFFFAOYSA-N 437.948 5.721 30 10 IKEE Sc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1ccc(Cl)c(Cl)c1 2322259138 AOPYPGJLWVSHBL-UHFFFAOYSA-N 448.162 5.642 30 10 IKEE CC(C)(C)c1ccc(OCCCc2nnc(S)n2N=Cc2ccc(O)c(Cl)c2)cc1 2322278352 MQQPFKBTAJXJOC-UHFFFAOYSA-N 444.988 5.117 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(Cl)cc2C=CC(=O)c2ccc(CC)cc2)cc1 2322362624 CJHQAEHNFJOWNS-UHFFFAOYSA-N 447.962 6.378 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(-c4ccccc4)cc2)C3=O)cc1 2322671594 RHAUETNKENBVON-UHFFFAOYSA-N 446.502 6.806 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc(C(C)(C)C)cc4)c3C)C2=O)cc1 2322731488 IGYNQNMERIMAQN-UHFFFAOYSA-N 442.511 6.137 30 10 IKEE O=C(Cc1ccccc1)Oc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1Cl)C2=O 2322884418 NJSHCNBYEGGBCA-UHFFFAOYSA-N 425.267 5.758 30 10 IKEE Cc1cccc(NC(=O)COc2cccc(C=CC(=O)c3cc(Cl)ccc3Cl)c2)c1 2323327610 BYZCCQHONJSUGM-UHFFFAOYSA-N 440.326 6.215 30 10 IKEE CCCOc1ccccc1C=CC(=O)Oc1ccc2c(c1C)OC(=Cc1cccnc1)C2=O 2323341620 UCETXFZDMOQNFQ-UHFFFAOYSA-N 441.483 5.414 30 10 IKEE COc1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(OC)c2)C3=O)cc1 2323423152 LRASJRGKOIEKMY-UHFFFAOYSA-N 442.467 5.247 30 10 IKEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C[C@@H]1CC(C)C 2323473008 BKNXJHDEZYQMOZ-NVQXNPDNSA-N 444.616 5.191 30 10 IKEE CCOc1cc(C=Nn2c(S)nnc2C2CCCCC2)ccc1OCc1ccccc1 2323481754 MWYDYUNCCQTZRH-UHFFFAOYSA-N 436.581 5.474 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(F)cc1 2323783256 DKXMYWJLFDHEEL-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2Cl)cc1 2323854703 QSAJXDRPMGUFSZ-UHFFFAOYSA-N 447.962 6.433 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCc3cc(C)ccc3C)c(OC)c2)cc1 2323936910 CILIKPJUWZLIHV-UHFFFAOYSA-N 430.544 6.576 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)ccc1OCc1ccccc1C 2324048033 IVXBACODRKHXPM-UHFFFAOYSA-N 430.500 5.640 30 10 IKEE Cc1cc(O)c(CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c2c1C(=O)C(=CC=Cc1ccccc1)O2 2324097947 ZHFFRKXDYOTXNJ-PBBNMVCDSA-N 443.587 6.274 30 10 IKEE CCCCOC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc(Br)cc1)C2=O 2324293784 ZTASHCPMHNHTEJ-UHFFFAOYSA-N 445.309 5.096 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2)cc2c1C(=O)C(=CC=Cc1ccccc1)O2 2324405964 YNNWHAUUWTZWSL-IBGZPJMESA-N 425.484 5.573 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2[N+](=O)[O-])c1 2324451241 QRDFGFNMPMZEJJ-UHFFFAOYSA-N 444.487 5.434 30 10 IKEE Cc1cccc(OCCCCOc2ccc3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)c1 2324570244 KNWIRBRISCFFOS-UHFFFAOYSA-N 445.471 5.757 30 10 IKEE COc1ccc(OCCOc2ccc3c(c2C)OC(=Cc2ccccc2OC)C3=O)cc1 2324682683 CAPQEMVRYOBBAN-UHFFFAOYSA-N 432.472 5.086 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(Cl)cc3Cl)n2)cc1C 2324756561 LMQHPPBJGXBKRL-GOSISDBHSA-N 427.356 6.623 30 10 IKEE CCOc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)cc1 2324807290 DLFFULQRIGZMTK-GOSISDBHSA-N 438.936 5.760 30 10 IKEE Cc1c(OCCC(=O)OCCC(C)C)ccc2c1OC(=Cc1c(F)cccc1Cl)C2=O 2325104063 YBMGQAFBFMFUKJ-UHFFFAOYSA-N 446.902 5.762 30 10 IKEE COc1cccc(C=C2Oc3cc(OCc4ccc(C(=O)OC(C)C)o4)ccc3C2=O)c1 2325385131 AKINDQIYNGRPNB-UHFFFAOYSA-N 434.444 5.049 30 10 IKEE C=CCOc1ccccc1C=Nn1c(COc2cc(F)ccc2F)nnc1SCCC 2325424743 XMVDFENSRJXVAQ-UHFFFAOYSA-N 444.507 5.084 30 10 IKEE O=[N+]([O-])c1ccccc1C=Nn1c(Cc2ccccc2)nnc1SCc1cccc(F)c1 2325471797 UOSJXBCUZULVRL-UHFFFAOYSA-N 447.495 5.091 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C=CC(=O)c3ccc(CC)cc3)ccc2OC)cc1 2325704241 BKWPIJNSCXDUTE-UHFFFAOYSA-N 430.500 5.772 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2OC)cc1OC(=O)CCc1ccccc1C 2325723247 HCLOBLMNNVYTPR-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)c2ccc(C(C)(C)C)cc2)c1 2325782480 VIGWLCWYFTXRCW-UHFFFAOYSA-N 448.946 6.761 30 10 IKEE CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccc(C(C)C)cc1 2326122419 UVABOJYOACFVAN-UHFFFAOYSA-N 443.016 6.245 30 10 IKEE Clc1ccc(CSc2nncn2N=Cc2ccccc2COc2ccccc2)cc1 2326342547 PFSOUQYIGCYOMX-UHFFFAOYSA-N 434.952 5.685 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cccc(OCC)c1OC 2326358295 NNWFNSHWISVNKZ-UHFFFAOYSA-N 444.988 5.466 30 10 IKEE CCOc1c(Cl)cc(C=Nn2cnnc2SCc2ccc(C#N)cc2)cc1Cl 2326660517 BXAFIECXRMYYGU-UHFFFAOYSA-N 432.336 5.030 30 10 IKEE C=C(C)CSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccc(F)cc1F 2327272551 NATVUIXZRGSCEA-UHFFFAOYSA-N 442.535 5.611 30 10 IKEE Cc1ccc(C=Nn2c(CCOc3ccccc3)nnc2SCc2ccccc2F)cc1 2329193285 VDIBFGBRGRHKKJ-UHFFFAOYSA-N 446.551 5.522 30 10 IKEE Cc1cccc(CSc2nnc(CCc3cccs3)n2N=Cc2ccccc2O)c1 2329641034 DCWCSMRMBHSWEM-UHFFFAOYSA-N 434.590 5.313 30 10 IKEE C[C@@H]1Oc2ccc(C(=NOC(c3ccccc3)c3ccccc3)C3CC3)cc2N(C)C1=O 2330339369 QPWCJBMJHVVHNP-SFHVURJKSA-N 426.516 5.351 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2ccccc2)c1 2330627797 WELZZPPIAIPNNR-UHFFFAOYSA-N 441.560 5.175 30 10 IKEE Cc1ccc(C=Nn2c(SCC(=O)Nc3ccc(C)cc3)nnc2-c2ccccc2)cc1 2330647871 CQHDRHRRRNMFSG-UHFFFAOYSA-N 441.560 5.175 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1Cl 2330659000 CLAFKSRRQKWLQO-UHFFFAOYSA-N 432.947 7.265 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1OC 2330707499 LBNGMKLUSIFLBV-UHFFFAOYSA-N 446.543 5.722 30 10 IKEE COc1cc(C=Nn2c(CC(C)(C)C)nnc2SCc2cc(C)ccc2C)ccc1O 2330845686 PHGUTSZYSMQWIA-UHFFFAOYSA-N 438.597 5.372 30 10 IKEE Cc1ccc(O)c(C=Nn2c(CC(C)(C)C)nnc2SCc2cccc3ccccc23)c1 2330863118 DEXGAUGKCASWNY-UHFFFAOYSA-N 444.604 6.208 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2c(F)cccc2Cl)c(Cl)c1)c1ccccc1Cl 2330919383 JDSNSGPFFZVVCM-UHFFFAOYSA-N 449.692 6.901 30 10 IKEE Oc1ccccc1C=Nn1c(SCc2ccc(Cl)c(Cl)c2)nnc1C1CCCC1 2331093060 HGESAKNFHRLLOB-UHFFFAOYSA-N 447.391 6.123 30 10 IKEE Oc1ccc(Cl)cc1C=Nn1c(SCc2cccc(Cl)c2)nnc1C1CCCC1 2331093099 PPVOUKRYCAHVDG-UHFFFAOYSA-N 447.391 6.123 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)COc1ccc(C)cc1C 2331164302 YOOOKZHSISIAPE-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2-c2ccco2)cc1 2331167671 GVMAIOQIVPNICN-UHFFFAOYSA-N 432.549 5.810 30 10 IKEE CCCCc1nnc(SC)n1N=Cc1ccc(OCc2ccc(C)cc2)c(OCC)c1 2331316013 NHUVHWLSPWWUDG-UHFFFAOYSA-N 438.597 5.511 30 10 IKEE CCCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccc(F)c(C)c2)cc1OCC 2331345885 HEMSRNDPQJIORC-UHFFFAOYSA-N 449.316 5.897 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 2331411075 KOHFIFWEOGGIMB-UHFFFAOYSA-N 444.527 6.117 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2331434153 COJLBUQDUZFDQG-UHFFFAOYSA-N 447.923 5.352 30 10 IKEE COc1cc(C=Nn2c(SCCc3ccccc3)nnc2C2CCC2)cc(Cl)c1O 2331529325 XFDGHWNVXMHFAA-UHFFFAOYSA-N 442.972 5.130 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CCC)nnc1SCc1c(F)cccc1Cl 2331667978 ZPZOBGTWUNAQSW-UHFFFAOYSA-N 444.963 5.762 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2cc(Cl)c(OC)cc2OC)cc1[N+](=O)[O-] 2331698508 HWZUZOZOJWPPDL-UHFFFAOYSA-N 447.871 5.257 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(O)c(O)c1 2331708733 QLFNZGYMKUDFPZ-UHFFFAOYSA-N 437.352 5.294 30 10 IKEE O=C(CSc1nnc(C2CC2)n1N=Cc1ccc(Cl)cc1Cl)Nc1ccccc1 2331717590 OGLKXHCDPSNKGM-UHFFFAOYSA-N 446.363 5.075 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)C(F)(F)F)c([N+](=O)[O-])c2)c2ccccc12 2331869517 ZOIXKCJYAOUQAI-UHFFFAOYSA-N 445.349 5.120 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)ccc1OC(=O)[C@@H]1CCCO1 2331869715 UIOVCPLTORZKLX-VWLOTQADSA-N 446.499 5.228 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Cl)cc(Br)c1F 2337101597 KZGDKMKYNQEGAC-DOTOQJQBSA-N 449.792 5.752 30 10 IKEE CO[C@@H](C#CC(=O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1)C1CCCC1 2369621402 MKQILFMGFRVZNR-IBGZPJMESA-N 436.346 5.187 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Oc2ccc([N+](=O)[O-])cc2C#N)ccc1Br 2370353921 XJLLDFJPUNDDAH-UHFFFAOYSA-N 434.246 5.368 30 10 IKEE COc1cc(Br)c(OC[C@@](C)(CS)C(C)(C)C)cc1Br 2380187220 PGUSEAJXDPWFJM-HNNXBMFYSA-N 426.214 5.581 30 10 IKEE O=c1oc2ccccc2cc1-c1ccc(/N=C/c2cc3c(cc2Br)OCO3)cc1 1881382 WEHCGKDGAVARQG-BRJLIKDPSA-N 448.272 5.702 30 10 IKEE C=CCN(C(=O)Cn1c(SCc2ccccc2F)nc2cccnc21)c1ccccc1 9153290 VBGDNWXAOIDLPK-UHFFFAOYSA-N 432.524 5.082 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc3c(c2)N(CCCC)C(=O)[C@@H](C)O3)c1 12236804 TWTCTMDWFNQZSB-GOSISDBHSA-N 435.568 5.691 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1)N2 14460366 PJGBRVXGHDSQQC-LGVFNWMJSA-N 440.996 5.529 30 10 IKEE N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCC(=O)Nc1ccccc1F 20530263 JKKFYZWNMHVFHH-UHFFFAOYSA-N 431.414 5.509 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(OC)c(Cl)c2)cc1 21219355 HLIYUXAPWSGPLX-IEBWSBKVSA-N 439.939 5.142 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2C)cc1 21225702 OCYKAOZGWAFFFC-KCWXNJEJSA-N 438.571 6.763 30 10 IKEE N#CCCn1cc(/C=C/C(=O)N(Cc2cccs2)Cc2cccs2)c2ccccc21 24465250 ZPTICVSILCOWOT-ZHACJKMWSA-N 431.586 5.920 30 10 IKEE CC1(C)[C@@H](C(=O)Nc2ccccc2/N=C/C=C/c2ccc([N+](=O)[O-])cc2)CC[C@]1(C)C(=O)O 28296327 SQGJAJWFORJZOI-FXHMKOEKSA-N 449.507 5.476 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 33365348 SGHBHSOFWHMQRA-PKAZHMFMSA-N 432.475 6.497 30 10 IKEE COc1ccc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3s2)c(OC)c1OC 33504248 LMEJGBCXUCDHEW-OBGWFSINSA-N 431.513 5.746 30 10 IKEE C/C(=C1/S/C(=N/c2cccc(C(=O)O)c2)N(C2CCCCC2)C1=O)c1ccc(F)cc1 39866878 JTTKFLIMCFNLLW-SYUAUQEVSA-N 438.524 5.851 30 10 IKEE Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=S)Nc2ccccc2)CCC3)c1 40825248 UFYQAFMNKYNBCC-ZXVVBBHZSA-N 432.549 5.176 30 10 IKEE C/C(=C\c1ccccc1)C(=O)Nc1cc(Cl)c([C@@H](C#N)c2ccc(Cl)cc2)cc1C 59240870 IITAYKOUJYEQQQ-PFSBYRDKSA-N 435.354 6.999 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)c1ccc(OCCCCC)cc1 100142036 NZEKERSHVHVBFT-UHFFFAOYSA-N 431.705 8.467 30 10 IKEE Cc1cccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccccc3)S2)c1 100146239 RTRWIQBAYBPYLT-YMVPSHTBSA-N 429.545 5.156 30 10 IKEE CCCCCCCOc1ccc(NC(=O)[C@H](CC)Oc2ccccc2[C@H](C)CC)cc1 100260430 ZVNAEFLMSNZDDB-BWKNWUBXSA-N 425.613 7.345 30 10 IKEE C=CCN1C(=O)C[C@H](C(=O)Nc2ccc(Cl)cc2)S/C1=N/c1cccc(Cl)c1 101232926 FGWAHUJFZHMURR-OCLJWFPGSA-N 434.348 5.140 30 10 IKEE CCOc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N\c1ccc(Oc2ccccc2)cc1 101764797 RXJSTNSLRSRQDM-ATRNVFDJSA-N 440.543 6.631 30 10 IKEE COc1ccc2c(c1)c(/C=C1\Oc3cc(OC(=O)c4ccccc4F)ccc3C1=O)cn2C 103024847 RKOXOYIDMKXDCP-MYKKPKGFSA-N 443.430 5.161 30 10 IKEE CCCCCCCCCC[C@@H](NC)c1cc(Br)c(Br)s1 162333995 FOVABIQSZLGQGC-CQSZACIVSA-N 425.274 7.064 30 10 IKEE C=CCn1c(C(=O)NC2CCN(Cc3ccccc3)CC2)c(C)c2cc(C(C)C)ccc21 169860631 FAWRTJNHEDADQM-UHFFFAOYSA-N 429.608 5.654 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccc(C)cc2C)c1 169935397 PKAXJIAPQMOBBO-RUZDIDTESA-N 441.527 5.712 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc(C)c2)c1 169966518 QBXWAKULSGQFHX-HSZRJFAPSA-N 447.918 5.830 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2)cc1 169974871 MULDKBNEZGTQGV-QHCPKHFHSA-N 445.946 6.420 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@@H]2c2cccs2)c1 169989849 AZVYLZCMPUWGKK-HXUWFJFHSA-N 429.501 5.024 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc(OCC)c2)c1 170039161 NDQRIZZITOXREC-XMMPIXPASA-N 449.547 5.395 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(O)c(Cl)c1)c1ccc2ccccc2c1 170044106 PZYSEQLJRHZRTP-HSZRJFAPSA-N 447.918 5.720 30 10 IKEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1cccc2ccccc12)c1cccc(Cl)c1 170044684 CTRBGZGZNWCXRV-XXBNENTESA-N 447.918 5.251 30 10 IKEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2ccccc2)cc1 170055540 KXPRIJZAAGRIOS-RUZDIDTESA-N 441.527 5.481 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)cc1C 170057782 LNCQBHFZPCSVGV-JOCHJYFZSA-N 435.882 5.879 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccccc2F)cc1C 170070153 TZIPYKHZLLJVRZ-DEOSSOPVSA-N 445.490 5.542 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2c[nH]c3ccccc23)c1 170074265 UQNMSEUZUMPWCN-RUZDIDTESA-N 447.494 5.741 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1c[nH]c2ccccc12 170075556 GZJNATWIGZIZII-RUZDIDTESA-N 448.478 6.005 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(CC)cc3)[C@@H]2c2ccccc2C)cc1 170089122 WENHASYPJSIOLH-VWLOTQADSA-N 441.527 5.739 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2cccs2)cc1C 170158162 CQMSLKYWYUDUIA-QHCPKHFHSA-N 447.556 5.855 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1cccnc1)c1ccc(Cl)c(Cl)c1 170184148 OMDNRZLRTJBIBP-LJQANCHMSA-N 443.261 5.310 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(F)cc2)cc1C 170238671 DQKFCIZTOQPPEU-QFIPXVFZSA-N 435.426 5.065 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccc(F)cc2)c1 170238804 XTGLCMLEWMYFPH-HSZRJFAPSA-N 431.463 5.316 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(C(C)C)cc1 170245966 FHZVAJSPNLTPEG-DEOSSOPVSA-N 435.564 5.896 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2C2CCCC2)cc1 170246192 AKBZOTJZPDAUPV-JOCHJYFZSA-N 434.492 5.239 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1Cc1ccncc1 170275052 RYOVWNSGSNUHCY-RUZDIDTESA-N 438.527 5.047 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(Br)c(C)c3)=C(O)C(=O)N2C2CCCC2)o1 170310760 COZJPOMIIVIAMW-IBGZPJMESA-N 444.325 5.180 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C2CCCC2)cc1O 170322916 DBFVNGRTNROOKL-XMMPIXPASA-N 443.499 5.075 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccc(O)c(Cl)c1)c1cccs1 170366951 LJJXLNPGTRFJGJ-GOSISDBHSA-N 447.846 5.168 30 10 IKEE Cn1cc(CCN2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cccs2)c2ccccc21 170415421 LYILLCXHOWUCKS-OAQYLSRUSA-N 448.569 5.122 30 10 IKEE CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@H]3c3cccc(C)c3)sc2c1 170462291 TVJHONBUCZXZSJ-JOCHJYFZSA-N 434.561 5.682 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(Cc2ccc3c(c2)OCO3)[C@H]1c1ccc(C(C)(C)C)cc1 170471765 HEXSTRNUWURSJX-DEOSSOPVSA-N 449.547 5.224 30 10 IKEE O=C(/C=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cccc(NC(=O)c2cccs2)c1 210049420 JUIKEFVNGPLHAF-LUAWRHEFSA-N 444.468 6.065 30 10 IKEE CCCCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)SC1=Nc1ccccc1 252635660 WZCYQMKGKHOEPA-BZMHFZIGSA-N 425.579 5.469 30 10 IKEE CCCCCCC[C@@H](NCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 407048819 CGFPZKJLGHWURQ-GOSISDBHSA-N 427.427 6.807 30 10 IKEE CCCOc1ccc([C@H]2C(c3cccc(OC)c3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526606759 OIHNTITWXGGZNW-VWLOTQADSA-N 440.499 5.413 30 10 IKEE Cc1ccc(SC2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(C)cc3)C2=O)cc1 526662201 QZJXGAXDGRHAIU-UHFFFAOYSA-N 425.513 5.164 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1cccc(OCC)c1 526815026 YKJDXZXOZODYSO-CFRMEGHHSA-N 449.407 6.111 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1cccc(Cl)c1Cl 526823666 MZARWKILCRSIBM-UYOCIXKTSA-N 446.190 6.375 30 10 IKEE CCCCc1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccccc2Cl)cc1 586226089 ZEQMUCXBALREFW-UHFFFAOYSA-N 438.980 5.950 30 10 IKEE Cc1ccccc1/N=C\C1=C2NC3=C(/C=N\c4ccccc4C)CCC[C@]3(C#N)C=C2CCC1 606631266 KEEKIIKFXXIHAJ-KWOIMRHPSA-N 446.598 7.324 30 10 IKEE CC(C)(C)OC(=O)N(C1CC1)[C@H](C#N)c1cc(Br)cc(Br)c1 698862250 UXEZPUAMSJQQMY-CQSZACIVSA-N 430.140 5.176 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H]([C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)C1 698884528 LCOVBAHWDNCIOL-QMHKHESXSA-N 449.979 5.621 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c1ccccc1)C2 709367638 ZYILNXAIAJTFQH-WVMBUTMQSA-N 427.545 5.110 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1 724069028 HXNHZSLPIINBSC-MHECFPHRSA-N 429.561 5.324 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3cccc(Cl)c3)n2)cc1 1083911888 RMFSNSICHPWIMY-AWEZNQCLSA-N 442.976 5.148 30 10 IKEE C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1ccc2nc(O)oc2c1 1465762839 COWXRRPAXDQGNX-CYBMUJFWSA-N 432.411 5.219 30 10 IKEE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)C(=NNc2ccccc2)CC(C)(C)C3)c1 1772728696 YEPBNWFNUCBNPQ-UHFFFAOYSA-N 447.535 5.646 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=Nc1ccccn1 1772730259 AUGQDERFFMFTDD-MJEQIIAOSA-N 440.322 5.338 30 10 IKEE CCSc1ccc(Cl)cc1CC(=O)Nc1cccc(C(=O)Nc2ccccc2C#N)c1 1860885540 BYDXVNULFCZINZ-UHFFFAOYSA-N 449.963 5.757 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC(C)C)NC(=O)c1cccc([N+](=O)[O-])c1C 1861012346 FVPCJIBUURCONI-OAQYLSRUSA-N 433.593 5.305 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1C(F)(F)F 1861046713 GEBJZWZBUWJWNE-QFIPXVFZSA-N 448.529 5.523 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1cccc(Cl)c1 1862381348 XYQAAKAULOMLMT-ADLMAVQZSA-N 438.738 6.024 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CC(C)C)cc1 1862384056 OHRPNLVTSQJWMX-FQEVSTJZSA-N 448.346 5.626 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(CC)cc1 1862444635 CNLCKJBEEAMTAR-QFIPXVFZSA-N 425.956 6.061 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc2cc[nH]c2c1 1862445876 GLFXOLWDGIGBLR-JOCHJYFZSA-N 436.939 5.980 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(CC)cc1 1862458259 JORFJNYSCQZMQZ-OAQYLSRUSA-N 431.454 5.435 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCC(C)C)c1 1862506831 WJQRFSVJNWEYRV-JOCHJYFZSA-N 425.500 5.157 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(F)cc1F 1862545554 CODZKWXGZFWFHZ-HSZRJFAPSA-N 439.502 5.468 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)cc1 1862580932 VNRDBYJPLDACPW-FQEVSTJZSA-N 448.346 5.858 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(C(C)C)cc1 1862584159 QUDSTKBORFXYLX-SZNDQCEHSA-N 446.374 6.494 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C2CCCCCC2)c1 1862595916 JTPOYXHNRPZQAO-DEOSSOPVSA-N 449.547 5.482 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1cccc(Cl)c1 1862618764 XXEYILHOWGVAHW-NRFANRHFSA-N 425.956 6.016 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(C(C)C)cc1 1862629106 NQLFVBQVAJPLNB-HSZRJFAPSA-N 435.520 5.163 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(O)c(O)c1 1862653477 QDVQIQBEWJOHQC-XMMPIXPASA-N 445.515 5.410 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(OCCCCC)cc1 1862670776 BUTMBDIFAUYXLL-RUZDIDTESA-N 447.575 6.143 30 10 IKEE CCc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccccc3Cl)C2=O)cc1 1863069006 BYOPYYKCJSTSLD-UHFFFAOYSA-N 427.891 5.171 30 10 IKEE N#Cc1ccccc1NC1=C(c2c[nH]c3ccccc23)C(=O)N(c2cccc(Cl)c2)C1=O 1863126917 MIYMBCZXOJGCPV-UHFFFAOYSA-N 438.874 5.090 30 10 IKEE CCCCCCCCNC1=C(c2ccc(Cl)cc2)C(=O)N(Cc2cccc(C)c2)C1=O 1863538725 JFDQHZPQJFRWDO-UHFFFAOYSA-N 438.999 5.879 30 10 IKEE C=CCNC1=C(c2cccc3ccccc23)C(=O)N(Cc2ccccc2OC(C)(C)C)C1=O 1863574292 PTIAQJLZRZSVJP-UHFFFAOYSA-N 440.543 5.073 30 10 IKEE CCCC[C@H](NC(=O)C[C@H](c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1ccc(C#N)cc1 1866724571 LFTWKIVMPIYUBY-DQEYMECFSA-N 431.580 5.373 30 10 IKEE Cc1ccc(C)c2c1C[C@@H](C)CN2c1cc(Nc2cccc(C#N)c2)nc(C(C)(C)C)n1 1868333659 PUQHCUUJBFEWCS-QGZVFWFLSA-N 425.580 6.337 30 10 IKEE CC(C)c1ccc(Cn2nnc(C#N)c2NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 1870107448 JKKLOJDVWKYQPT-CSKARUKUSA-N 440.334 5.280 30 10 IKEE Cc1ccccc1NCc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCc1ccccc1 1871251357 ZZSVFIGYYTZJGM-UHFFFAOYSA-N 449.554 5.462 30 10 IKEE Cc1cc(C)cc(OCCN2COc3ccc4c(c3C2)O/C(=C\c2ccc(F)cc2)C4=O)c1 1871347287 MELYGHWADMEPQJ-QFEZKATASA-N 445.490 5.290 30 10 IKEE Cc1c(OC(=O)/C(Cl)=C/c2ccccc2)ccc2c1O/C(=C\C=C\c1ccccc1)C2=O 1871377398 JHYIBLNFURPZKP-ACKDLJFISA-N 442.898 6.353 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O)/C(Br)=C/c1ccccc1 1871378503 PMWODVGOVLDVIO-JPOLKSPQSA-N 447.284 5.644 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc(OC(=O)COc3ccc(Cl)cc3)c2C)C1=O 1871381312 TYHJHEUMFRWWOK-ODLFYWEKSA-N 440.904 5.619 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCc4ccc(C(=O)OC(C)C)cc4)c3C)C2=O)cc1 1871414595 OLVLVOBOVZVEJM-MYYYXRDXSA-N 442.511 6.064 30 10 IKEE Cc1cccc(COc2ccc3c(c2C)O/C(=C\c2ccccc2Br)C3=O)c1 1871455111 KWAVNFUQGUDCEI-XKZIYDEJSA-N 435.317 6.261 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cccc(C)c1C)C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1872503146 RSOZCWBWNWJNQS-JOCHJYFZSA-N 449.016 5.187 30 10 IKEE Cc1ccc(C)c(OCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1C 1872762116 DLXFLSZJHUFUMQ-KRWDZBQOSA-N 445.371 6.297 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)n2)cc1 1872768118 JQOJNFUIIBAQHW-VGOFRKELSA-N 434.561 5.976 30 10 IKEE Cc1cc(-c2csc([C@H](C#N)C(=O)c3ccccc3C(=O)c3ccccc3)n2)ccc1F 1872773136 XATPRFOEXUJHCJ-OAQYLSRUSA-N 440.499 5.979 30 10 IKEE COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1 1872785017 CLMXLBSBBDYJKG-CQSZACIVSA-N 433.316 5.624 30 10 IKEE COc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc1 1872786567 NIQNPMAYONHUBI-OAQYLSRUSA-N 434.561 5.779 30 10 IKEE CCCCCCCCCCNC(=O)c1cccc(COc2ccc([N+](=O)[O-])c(C)c2)c1 1872838107 ZTHRORMRBLIMFJ-UHFFFAOYSA-N 426.557 6.353 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2C)C(=O)N(Cc2cccnc2)C1=O 1873102231 JJMYOJAHAHUIFO-UHFFFAOYSA-N 433.596 5.400 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)c(=O)oc2c1 1873982451 KDBTXOHDZAUVAU-DKODJIDWSA-N 449.591 5.320 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1ccccc1C 1874204034 GATQPNDLIBWEGC-FSJBWODESA-N 435.380 5.857 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccc(Cl)cc1 1874213966 OUKFXEMSWBHDQG-BUVRLJJBSA-N 447.391 5.757 30 10 IKEE C=CCSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1cccc2ccccc12 1874321227 GORKXRAUXOFEOQ-WGOQTCKBSA-N 428.561 5.787 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(COc2ccc(C)cc2C)nnc1SCCC 1874328033 SLQFWJTYOZXTRE-PCLIKHOPSA-N 436.581 5.423 30 10 IKEE Cc1ccc(CCc2nnc(SCCc3ccccc3)n2/N=C/c2cccs2)cc1C 1874331648 XHALRRIVGKYQOZ-NLRVBDNBSA-N 446.645 5.959 30 10 IKEE C(=N/n1c(Cc2cccs2)nnc1SCc1ccccc1)\c1cccc2ccccc12 1874412796 WNZLSOZKQUXVOH-YZSQISJMSA-N 440.597 6.258 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)(C)C)n2/N=C/c2ccccc2C(=O)O)c1 1874438541 GHISFKOVQRPSSD-AFUMVMLFSA-N 436.581 5.356 30 10 IKEE CCCSc1nnc(COC)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1874502486 KCYBMGBLJAKIJX-YDZHTSKRSA-N 430.961 5.041 30 10 IKEE Fc1ccc(COc2ccc3ccccc3c2/C=N/n2c(S)nnc2[C@H]2CCCO2)cc1 1874560062 DZSMCMBJJQPYAY-MNVTYAKESA-N 448.523 5.172 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Cl)ccc1OCc1nc(O)c2ccccc2n1 1874577073 VCTWFGBCDCWJDE-ZRDIBKRKSA-N 446.890 5.473 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1 1874595814 FKSGOSUUYPTKAZ-NTUHNPAUSA-N 441.354 7.257 30 10 IKEE CCc1ccc(NC(=O)COc2cccc(/C=C/C(=O)c3ccc(OC)c(F)c3)c2)cc1 1874597273 CZGKDPRUWHGKLI-UKTHLTGXSA-N 433.479 5.310 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)OC)c2)cc1 1874597954 MHSMEVCAGTZQEK-OQLLNIDSSA-N 440.536 5.492 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1)c1ccc(Br)cc1 1874607989 QGVWKFMDUGPPLA-QDEBKDIKSA-N 445.715 6.717 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Cl)c1 1874610530 XNVOOYCCYSMVPN-WUXMJOGZSA-N 439.870 5.401 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(OC)c1OCc1ccc(F)cc1 1874612134 DPWBIISIVDLPMY-DHZHZOJOSA-N 426.871 5.971 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(F)c(C)c3)cc2Cl)o1 1874618552 HNBALWUVIYFXEL-RUDMXATFSA-N 442.870 6.032 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)cc(Cl)c1OCCCO 1874635092 FEULMBWSRZQATN-SNAWJCMRSA-N 445.726 5.321 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc(F)c(C)c3)ccc2OC)cc1 1874704028 TUJZPPIKBMYXRT-WLRTZDKTSA-N 434.463 5.657 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc(Cl)cc3Cl)c2)c(C)c1 1874716359 OMPRLWPHIMCYFG-JXMROGBWSA-N 439.338 7.034 30 10 IKEE C=CCN(CC=C)CCC(=O)c1cccc(OC(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)c1 1874733823 MJAKXKAGDYPFRJ-OAQYLSRUSA-N 435.564 5.430 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC(=O)COC 1875082924 ULLSYVRKPOFBST-LFIBNONCSA-N 442.511 5.539 30 10 IKEE C[C@H](Oc1ccc(Cl)cc1)C(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1 1875120488 WBYIQVSYFQSYMF-IEWBSGLLSA-N 442.845 5.887 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(Cl)cc1 1875122263 UXCWHSWWBVJXRK-WUXMJOGZSA-N 441.310 6.507 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc([N+](=O)[O-])c1OC(=O)C(C)(C)C 1875124136 BSXRKLIGOOVUFB-MDZDMXLPSA-N 431.872 5.495 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OC(=O)c1cccc2ccccc12 1875127475 HMBAXZWMHGKELU-CCEZHUSRSA-N 442.898 6.617 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Br)c1OC(=O)C(C)C 1875133694 HJTYMKWUOSKYRV-CSKARUKUSA-N 445.353 5.922 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2[nH]c3ccc(C)cc3c2C)cc1 1875143644 KANDKJSZECYEBG-UKTHLTGXSA-N 439.511 6.217 30 10 IKEE Cc1cccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2)c1C 1875155820 BKSOOHVDLZFQJQ-LICLKQGHSA-N 428.528 6.307 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)CCOc2ccccc2)cc1 1875169549 MXOGCFWXXVMPNT-SDNWHVSQSA-N 430.500 5.583 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3F)c(Cl)c2)cc1C 1875175399 NJJYSHIYBUBRPO-RUDMXATFSA-N 426.846 6.350 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1 1875182411 BTAXHGSDUYJYGR-SDNWHVSQSA-N 430.500 5.744 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc(Cl)c1OC(=O)CCOC 1875187505 BZSDXHFHALTDJK-BQYQJAHWSA-N 446.927 5.202 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@H](C#N)[C@@]1(C)CCCCN1C(=O)OC(C)(C)C 1890134857 KJNXFBOTAJSOHP-NBGIEHNGSA-N 443.588 5.496 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21 1922107255 KLTPVVDYUDFGLQ-JWQCQUIFSA-N 436.596 5.272 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1scc(Br)c1C 1923038045 NGQSTQVMANYWGY-CVEARBPZSA-N 429.424 5.166 30 10 IKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(Br)ccc1Br 1935891473 VQGNLZIEHTXDEA-ABAIWWIYSA-N 446.183 5.812 30 10 IKEE CC(C)(C)OC(=O)N(CCCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1 1985173683 ZENYDAAEKYQSMD-UHFFFAOYSA-N 427.932 5.368 30 10 IKEE CC(C)N[C@]1(C#N)CCC[C@@H](CN(CCN(C)Cc2ccccc2)Cc2ccccc2)C1 2034739855 QUJKQICHTSBTFY-VSGBNLITSA-N 432.656 5.071 30 10 IKEE N#Cc1c(Br)cccc1Nc1ccc(Br)c(Br)c1 2065991804 AXZSBMZMMAHMPR-UHFFFAOYSA-N 430.925 5.589 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@H]1C(C)C 2067959637 WOYPTIVYSAFEMT-NBGIEHNGSA-N 443.588 5.664 30 10 IKEE C=C(c1ccccc1)[C@@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 2076576036 FURIXYGDFYRVPH-JWQCQUIFSA-N 438.612 5.568 30 10 IKEE C=CCN(C[C@H](NCCC)c1ccc(Cl)cc1Br)C(=O)OC(C)(C)C 2077805973 OSGBCFLNPROKRW-KRWDZBQOSA-N 431.802 5.566 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Cl)cc1Br 2077810933 WLBLAJLCCLUIBG-SJORKVTESA-N 429.786 5.060 30 10 IKEE C[C@H](c1ccc(C2CCC2)cc1)n1nc(C2(C)CC2)c(C#N)c1I 2079972253 RXBZMCZGWJICJL-CYBMUJFWSA-N 431.321 5.288 30 10 IKEE N#Cc1c(C2CCCCC2)nn(Cc2ccc(C(F)(F)F)c(Cl)c2)c1Br 2080304604 WYJYNCKRVZHMPV-UHFFFAOYSA-N 446.698 6.285 30 10 IKEE Cc1ccc(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 2084270842 YGXCHVYGBBPRBT-QFIPXVFZSA-N 440.593 6.754 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CC[C@@H](Nc3ccc(C#N)cc3Br)C2)CC1 2155284165 LKAXKTOBRIGSEF-MRXNPFEDSA-N 434.378 5.302 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)ccc(Br)c1F 2159130867 WXSGSVOUHQMTEK-YJBOKZPZSA-N 445.348 5.075 30 10 IKEE CC(C)N(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(C#N)c(Br)c1 2174811808 CRSVDZBOHZRIPN-INIZCTEOSA-N 436.394 5.183 30 10 IKEE CCCN(C[C@H]1CCCN1C(=O)OC(C)(C)C)c1cc(Br)cc(F)c1C#N 2174812075 GWUGXKROHWPDAG-OAHLLOKOSA-N 440.357 5.076 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(C)c(Br)cc1C 2201064549 YMWIRTHELCNZOA-PMACEKPBSA-N 437.422 5.413 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CN(C(=O)OC(C)(C)C)CC12CC2 2215217272 KOBONOBDORZWEQ-DEOSSOPVSA-N 427.545 5.030 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CN(C(=O)OC(C)(C)C)CC12CC2 2215217273 KOBONOBDORZWEQ-XMMPIXPASA-N 427.545 5.030 30 10 IKEE C=CCCCCCCCC(=O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2220082101 JUZQCJHDIUOKSM-HHHXNRCGSA-N 443.628 6.316 30 10 IKEE C=CCN(CC[C@H](NCCC)c1cc(Br)nn1C(C)C)C(=O)OC(C)(C)C 2232464090 HXEWMNLJGFTABL-INIZCTEOSA-N 443.430 5.080 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc(CCC(=O)C#Cc2ccccc2Br)c1 2235730032 ODHAERPBOHYXDC-UHFFFAOYSA-N 428.326 5.350 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C=C[C@@H](N)C#Cc2ccccc2Br)cc1 2235746075 HUVGGDNMTIMVRM-GOSISDBHSA-N 427.342 5.188 30 10 IKEE C=C(C)CC[C@H](OCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2275338178 KSLQBINSPTZGPT-VWLOTQADSA-N 446.543 6.343 30 10 IKEE CCCC#C[C@H](OCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2275975078 POQZINPIDHYNOK-VWLOTQADSA-N 444.527 5.790 30 10 IKEE CC(C)(C)OC(=O)NCC1(C[C@@H](O)C#Cc2cccc(Br)c2)CCCCC1 2296216299 JCTLIFLWJWRFLI-IBGZPJMESA-N 436.390 5.027 30 10 IKEE COc1cccc(C=C(C(=O)c2ccc(OC(C)C)cc2)c2nc3ccccc3o2)c1OC 2296696691 NBPKBJDLMJFYBF-UHFFFAOYSA-N 443.499 6.056 30 10 IKEE Cc1cccc(CN2c3ccccc3C(=O)C(=CNc3ccc(C)c(C)c3)S2(=O)=O)c1 2297334998 RWSRVELJRXLNMF-UHFFFAOYSA-N 432.545 5.098 30 10 IKEE O=C1C(=O)N(c2ccccn2)[C@@H](c2ccc(Cl)cc2)C1=C(O)c1ccc(Cl)cc1 2297747579 IRDOUFISEIOTJK-IBGZPJMESA-N 425.271 5.015 30 10 IKEE CC[C@@]1(C)N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(C)c1 2315232211 SIOLMDNQACPBQZ-RPBOFIJWSA-N 443.588 5.808 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc3ccccc3c2)c1OCc1ccc(F)cc1 2322321617 CMYJICJGTUFRQC-UHFFFAOYSA-N 446.905 7.116 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(C(C)(C)C)cc1)C3=O)CN(CCOC(C)C)CO2 2322328396 APEFCBDKMAULLP-UHFFFAOYSA-N 435.564 5.486 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(cc4c(c3C)OCN(CCC(C)C)C4)C2=O)cc1 2322437021 HTWJFBYWERXQQO-UHFFFAOYSA-N 434.580 5.655 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(Cl)ccc1OCc1ccccc1Cl 2322646584 XVYUDQPFWIWWQR-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE Cc1ccc(C)c(COc2ccc3ccccc3c2C=CC(=O)c2ccc(C(C)C)cc2)c1 2322731490 ITLZTWGOPXFNKC-UHFFFAOYSA-N 434.579 8.055 30 10 IKEE Cc1c(OC(=O)c2cccc(Cl)c2)ccc2c1OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2322915960 CYVUZEVGSZBVHJ-UHFFFAOYSA-N 446.930 6.781 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2OC)cc1OCc1c(Cl)cccc1Cl 2323099622 VATCUPXLVRXZNQ-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc1OCc1ccc(F)cc1 2323229954 RRHSURSVLKSCAI-UHFFFAOYSA-N 448.534 6.616 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OC(=O)c4ccc(C)c(C)c4)cc(C)c3C2=O)cc1 2323258756 GUHNPNIYFWAZOT-UHFFFAOYSA-N 428.484 5.846 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 2323620229 LPZSKWKIILWWGH-UHFFFAOYSA-N 437.879 6.122 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccccc3OC)cc2Cl)o1 2323701439 OCQKKEBMSFUOHG-UHFFFAOYSA-N 440.879 5.593 30 10 IKEE CCCOC(=O)COc1c(Cl)cc(C=CC(=O)c2ccc(F)cc2F)cc1OCC 2323724178 OARPSPOUBOZXFI-UHFFFAOYSA-N 438.854 5.245 30 10 IKEE Cc1cc(OC(=O)C=Cc2ccccc2)cc2c1C(=O)C(=Cc1ccc(N(C)C)cc1)O2 2323749743 DFZRMXWFSGNJNW-UHFFFAOYSA-N 425.484 5.296 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)cc1 2323823766 LAHCGAPYJSOZSH-UHFFFAOYSA-N 445.427 5.219 30 10 IKEE Cc1cc(O)c(CN2CCc3ccccc3C2)c2c1C(=O)C(=Cc1c(F)cccc1Cl)O2 2324115601 CXVWUAHAECDRAI-UHFFFAOYSA-N 449.909 5.668 30 10 IKEE C=CCOc1c(Cl)cc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)cc1OCC 2324331274 WQOPPWCAZILJAA-UHFFFAOYSA-N 441.738 6.515 30 10 IKEE C=CCOc1c(Br)cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1OC 2324353725 IXOYOFZBPZXOTQ-UHFFFAOYSA-N 429.354 6.152 30 10 IKEE COc1cccc(C=C2Oc3cc(OCCCOc4ccc(C)cc4)ccc3C2=O)c1OC 2324545079 CYUQVOCAFKMLQC-UHFFFAOYSA-N 446.499 5.476 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)ccc1OCC(=O)OCC(C)C 2324691165 JCMQEFBFZQWUGZ-UHFFFAOYSA-N 448.515 5.331 30 10 IKEE CCOc1ccccc1NC(=O)COc1ccc2c(c1)OC(=Cc1ccc(CC)cc1)C2=O 2324895823 DDTMXOHLJNHOOL-UHFFFAOYSA-N 443.499 5.281 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2sccc2C)C3=O)c(Cl)c1 2325294582 YKTLTSYYUHQPLR-UHFFFAOYSA-N 439.920 5.652 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C(C)C)cc4)cc(C)c3C2=O)o1 2325320021 CSWWHEWOOSVMJM-UHFFFAOYSA-N 431.488 5.654 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1Cl)C2=O)NC1CCCCC1 2325322771 XSHMZEUUUGRZAN-UHFFFAOYSA-N 446.330 5.437 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(OC)cc1OC 2325522848 GDBRMEFHEHFJEG-UHFFFAOYSA-N 444.988 5.466 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc(C(C)C)cc1 2325571812 ROXQOBFPHHDKCH-UHFFFAOYSA-N 447.435 6.835 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc3c(c2C)OC(=Cc2cccc(Cl)c2)C3=O)c1 2325721939 MIRJACBEFCZBJV-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(OCC)cc3)c2)cc1 2325733611 SPVUWLMLAMEIEZ-UHFFFAOYSA-N 446.499 5.608 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(F)c(C)c3)c2)cc1OC 2325741745 VZKKICSUTLTMIV-UHFFFAOYSA-N 434.463 5.196 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OC(=O)Cc2cccc3ccccc23)c1 2325743264 UEGXLXSDJSUKGV-UHFFFAOYSA-N 436.507 6.201 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OC(=O)c3cccc4ccccc34)c2)c1 2325744401 BJMSNFTZDZWROR-UHFFFAOYSA-N 438.479 5.972 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1ccc(C)cc1 2325909159 FCQHWENOQGZDBT-UHFFFAOYSA-N 447.391 6.023 30 10 IKEE CCCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccc(O)cc1 2326034028 HXHIRXJYDVNPOW-UHFFFAOYSA-N 430.961 5.033 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(OC(C)(C)C)cc1 2326272702 CTCKMQNTWGOQSE-UHFFFAOYSA-N 440.588 6.112 30 10 IKEE CCOc1ccc(C=Nn2c(C)nnc2SCc2ccc(C)cc2)cc1Br 2326295478 XEZVUBOCJIVGLD-UHFFFAOYSA-N 445.386 5.231 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccc(F)cc3)n2N=Cc2ccco2)CC1 2328120665 JMRLHZOEDKBDKJ-UHFFFAOYSA-N 440.588 6.649 30 10 IKEE COc1ccc(CCc2nnc(SCc3cccc(C)c3)n2N=Cc2cccs2)cc1 2328572377 LEVNPDRRDIVYSA-UHFFFAOYSA-N 448.617 5.616 30 10 IKEE Clc1ccccc1CSc1nnc(COCc2ccccc2)n1N=Cc1ccccc1 2329348011 VCTQZUZCAJFYGJ-UHFFFAOYSA-N 448.979 5.823 30 10 IKEE CCCSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1c(OC)ccc2ccccc12 2329442499 DLINONCXJYXMEC-UHFFFAOYSA-N 444.604 6.032 30 10 IKEE COc1ccccc1C=Nn1c(CCc2cccs2)nnc1SCc1ccccc1 2329662875 GJCAYDADZJDDAY-UHFFFAOYSA-N 434.590 5.308 30 10 IKEE Oc1cccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCc2cccc(F)c2)c1 2329823407 FAOSKYVROYASRK-UHFFFAOYSA-N 436.487 5.027 30 10 IKEE Clc1ccc(CSc2nnc(CC3CCCCC3)n2N=Cc2ccccn2)cc1 2330283018 PEALIXNFHJIGLP-UHFFFAOYSA-N 425.989 5.624 30 10 IKEE Clc1ccc(CSc2nnc(Cc3cccs3)n2N=Cc2ccccn2)cc1 2330422297 RVAOCOBLRJBCDH-UHFFFAOYSA-N 425.970 5.153 30 10 IKEE Fc1ccc(CSc2nnc(-c3cccs3)n2N=Cc2cccc3ccccc23)cc1 2330547841 NTSYHCYNRSPUFO-UHFFFAOYSA-N 444.560 6.473 30 10 IKEE Oc1ccc(Cl)cc1C=Nn1c(SCc2cccc(F)c2)nnc1-c1cccs1 2330556900 YNXYSRPPKAYRAT-UHFFFAOYSA-N 444.944 5.679 30 10 IKEE Fc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2-c2cccs2)cc1 2330603558 FPOXOBHQQSYHKC-UHFFFAOYSA-N 428.945 5.974 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)c1 2330627217 VTAIUTQGEXOESR-UHFFFAOYSA-N 435.863 5.980 30 10 IKEE COc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccc(C)cc2)cc1OC 2330800613 MYXSYFJVTXOYDS-UHFFFAOYSA-N 438.597 5.367 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)C1CCCC1 2330935585 LZCNBDQMUXQGOG-UHFFFAOYSA-N 433.331 6.384 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)Cc2cc(C)ccc2C)c([N+](=O)[O-])c1 2331066058 KVWYNXJWIQMGHX-UHFFFAOYSA-N 445.471 5.264 30 10 IKEE C=CCSc1nnc(C2CCCC2)n1N=Cc1ccc(OCc2ccccc2)c(OC)c1 2331081518 UVJAPLMGEUWVEG-UHFFFAOYSA-N 448.592 5.684 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccccc3OC)cc2OC)c1 2331081527 VYNDMABRTVEUGO-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE O=C(COc1ccc(Cl)cc1)Oc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1 2331116126 NVJRDRFLACYQPS-UHFFFAOYSA-N 427.283 5.874 30 10 IKEE Cn1cc(C=Nn2c(SCc3ccccc3Cl)nnc2C(F)(F)F)c2ccccc21 2331141815 LJZZCHWZPKBPLI-UHFFFAOYSA-N 449.889 5.617 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2C(C)(C)C)cc1 2331382508 AWECSILSULOHAN-UHFFFAOYSA-N 439.604 5.735 30 10 IKEE CC(C)(C)c1nnc(SCCc2ccccc2)n1N=Cc1ccc(Br)cc1 2331398023 VALXRFQTFDTJJE-UHFFFAOYSA-N 443.414 5.555 30 10 IKEE CCCCC(=O)Oc1c(OCC)cc(C=CC(=O)c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] 2331501222 YHWQIYMWMVKNAF-UHFFFAOYSA-N 439.508 6.109 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCC3)n2N=Cc2c(Cl)cccc2Cl)c1 2331523680 QHHLUXCMOADCRC-UHFFFAOYSA-N 445.419 6.644 30 10 IKEE C=CCSc1nnc(COC)n1N=Cc1c(OCc2ccccc2)ccc2ccccc12 2331591973 VQXWMSYKUNOUGD-UHFFFAOYSA-N 444.560 5.317 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C2CCCC2)c([N+](=O)[O-])c1)c1cc(Cl)ccc1Cl 2331860995 QQANGXGABXNTSZ-UHFFFAOYSA-N 434.275 5.893 30 10 IKEE CCCCCOc1ccccc1C=NNc1oc(Cc2cccc3ccccc23)nc1C#N 2331932808 XRHAUGQBHGGAEF-UHFFFAOYSA-N 438.531 6.305 30 10 IKEE Cc1cc(C#N)c(Sc2cc(I)ccc2Br)nc1C 2338312433 FUXXTVRAPXTTHW-UHFFFAOYSA-N 445.123 5.088 30 10 IKEE CN(Cc1ccccc1)[C@H](CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C1CC1 2339542606 DWRJXEWJXQIEGY-POICXBNUSA-N 433.405 5.049 30 10 IKEE COc1cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(C)cc2)c(Br)cn1 2362198812 MZOBVCBOLVBLNV-KRWDZBQOSA-N 432.318 5.168 30 10 IKEE C=CCOc1cccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccco2)c1 2380424 KEIRVPHUOUODET-QFIPXVFZSA-N 447.874 5.350 30 10 IKEE C=CCc1ccccc1OCC(=O)Nc1sc2c(c1C(=O)OC)CC[C@@H](C(C)(C)C)C2 2610025 XEIYXJQACKUINO-QGZVFWFLSA-N 441.593 5.432 30 10 IKEE Cc1cccc(CN2c3ccccc3C(=O)/C(=C\Nc3cc(C)cc(C)c3)S2(=O)=O)c1 20132794 HKSARGOBRDVUGW-BUVRLJJBSA-N 432.545 5.098 30 10 IKEE O=C(/C=C\Sc1c(Cl)cccc1Cl)c1ccc(I)cc1 32224296 XFCACBRAXJZNNR-HJWRWDBZSA-N 435.113 6.087 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)/C=C\c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 33888780 BYVTVBKHZVAONA-RZUHQPDASA-N 429.903 5.831 30 10 IKEE C=CCc1ccc(OCCn2c([C@@H](C)NC(=O)C(C)(C)C)nc3ccccc32)c(OC)c1 40190014 WPGMYOQKOLHNBU-GOSISDBHSA-N 435.568 5.076 30 10 IKEE C=CCc1ccccc1OCCCn1c(CNC(=O)c2cccs2)nc2ccccc21 40197031 WYLLXVHCXJKWDA-UHFFFAOYSA-N 431.561 5.225 30 10 IKEE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(/C=N/Nc2cc(Cl)ccc2Cl)c1C 59151486 CBMGCRQCXVZJID-LSHDLFTRSA-N 434.283 5.159 30 10 IKEE O=C1/C(=N/Nc2cc(Cl)ccc2Cl)c2ccccc2N1Cc1cccc2ccccc12 59166375 FSPKPSDKVMZVPJ-RMLRFSFXSA-N 446.337 6.510 30 10 IKEE C=CCc1ccccc1OC[C@H](O)CNc1ccc(-c2nc3ccc(C)cc3s2)cc1 96582680 LDQCTDMPODENOJ-JOCHJYFZSA-N 430.573 5.852 30 10 IKEE CCCCCCCOc1ccc(CNc2ccccc2OCCOc2ccccc2)cc1 100036908 SJIVJJWMHJBERS-UHFFFAOYSA-N 433.592 7.106 30 10 IKEE Cc1cc(C)c(/N=C2\[C@@H](N3CCCC3)C3(CCCCC3)C(=S)N2c2ccccc2)c(C)c1 102222017 ORWPOPVZDZXYQY-BFFRAMDSSA-N 445.676 6.904 30 10 IKEE CCCCCCCCCOc1ccc([C@H]2NC(=S)N(C)C(C)=C2C(C)=O)cc1Cl 169936935 MAUXKQLNOFTNDJ-JOCHJYFZSA-N 437.049 6.193 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1c1ccccc1C 169945979 UVSXEFKLZBARIM-XMMPIXPASA-N 438.483 5.268 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@H]2c2cccs2)s1 169987190 ABGDEBPGKFJWFK-KRWDZBQOSA-N 444.965 5.566 30 10 IKEE N#Cc1ccc(N2C(=O)C(Sc3ccc(Cl)cc3)=C(c3ccc(F)cc3)C2=O)cc1 169990005 PJIKYZQQOLUYFU-UHFFFAOYSA-N 434.879 5.428 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(O)cc2)cc1C 170135728 SQMYBFIADAATGM-DEOSSOPVSA-N 449.547 5.400 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(OC(C)C)cc1 170152379 CECROMJZBKPURR-XMMPIXPASA-N 429.516 5.615 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccn2)c1 170169716 GDTHIXTYBIYJHR-HSZRJFAPSA-N 446.478 5.038 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)[C@H]2c2ccccn2)cc1 170174478 RFTAZLNXGDDEFO-JOCHJYFZSA-N 444.874 5.573 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccncc2)cc1C 170209481 DUDDMCCXZNXYEY-HSZRJFAPSA-N 434.536 5.090 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1ccc(OCC)cc1 170214093 HSRUQCRBTNSCRV-QHCPKHFHSA-N 437.536 5.169 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc2ccccc12 170220813 HEOQGJKPSLRBOE-AREMUKBSSA-N 435.523 6.371 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1c[nH]c2ccccc12 170256508 UDNPOMGYBZEGCC-HSZRJFAPSA-N 430.504 5.006 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2Cc2ccco2)cc1 170266311 LDDPXTPPCXSKNQ-RUZDIDTESA-N 437.495 5.774 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)=C(O)C(=O)N1c1cccc(F)c1 170270962 HXLGFMCFLURFHD-VOIUYBSRSA-N 443.474 5.240 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2C)ccc1Cl 170272066 PBKXJDWXYAWNKZ-QHCPKHFHSA-N 447.918 5.830 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC(C)C)cc3)[C@@H]2c2ccco2)c1 170278782 UTFKLHCXTBSPDN-QHCPKHFHSA-N 447.487 5.106 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccco1 170284400 RQTIWIYCIZDEBZ-HSZRJFAPSA-N 443.886 6.178 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2ccco2)cc1C 170284404 JVGYIRVPCZTCTN-NRFANRHFSA-N 437.879 5.341 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2ccco2)cc1C 170290938 PQJOELIGPKZELC-OAQYLSRUSA-N 439.414 5.048 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@H]1c1ccc(C)o1 170309222 KKOBSCCFLHAWBI-OAQYLSRUSA-N 425.525 5.273 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccc(O)c(Cl)c2)cc1 170367433 OLDOFDWQRIGRFW-HSZRJFAPSA-N 447.918 5.754 30 10 IKEE Cn1cc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(Cl)cc2)c2ccccc21 170395731 LBSRYYDSHALUCC-QFIPXVFZSA-N 443.890 5.010 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]1c1ccc(C(C)(C)C)cc1 170467020 JRCUMTCFUKPBNC-QFIPXVFZSA-N 435.564 5.504 30 10 IKEE C=CCc1ccccc1OCCn1c(CCCCCNC(=O)/C=C\C)nc2ccccc21 205736761 GPLBIFZSRQXCJP-PQMHYQBVSA-N 431.580 5.249 30 10 IKEE CCN1/C(=C/C=C2/SC(=Nc3cccc4ncccc34)N(C)C2=O)Sc2ccccc21 254289901 MLYQSWJIORZOBV-QAOJKLKMSA-N 444.585 5.785 30 10 IKEE C=C(CC[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C 256430412 HKRMRIDUAZDXGO-CJNDSTIRSA-N 440.712 7.754 30 10 IKEE biogenic CCCCCCCC[C@H](NCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 407041610 AHAINYMGGALWII-FQEVSTJZSA-N 441.454 7.197 30 10 IKEE Cc1ccsc1[C@H]1C(c2cccc(OCC(C)C)c2)=C(O)C(=O)N1c1ccc(C#N)cc1 526487634 DFNVIAIBYGUVJR-HSZRJFAPSA-N 444.556 6.020 30 10 IKEE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2sccc2C)c1 526521184 LCUFLHYKJBDTLE-NRFANRHFSA-N 432.501 5.003 30 10 IKEE COc1ccc2c(c1)c([C@H]1C(c3ccc(C)cc3)=C(O)C(=O)N1c1cccc(C#N)c1)cn2C 526523495 YCGLBMJLQSCIQX-SANMLTNESA-N 449.510 5.424 30 10 IKEE Oc1cccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccc(Cl)cc2)c1 526808066 HZOWESJEYIXEJC-QQXSKIMKSA-N 448.979 5.597 30 10 IKEE Clc1cccc(Cl)c1/C=N\n1cnnc1SCc1c(Cl)cccc1Cl 526813652 APUCONMILAODRE-HOEBFWFUSA-N 432.163 6.066 30 10 IKEE Clc1ccc(/C=N\n2cnnc2SCc2ccc(Cl)c(Cl)c2)c(Cl)c1 526814313 JCTQHSSAEFFSSG-HOEBFWFUSA-N 432.163 6.066 30 10 IKEE C=CCN(CC=C)C(=O)Nc1cccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 586673714 XVUKBWMOLDFGBD-UHFFFAOYSA-N 437.849 5.817 30 10 IKEE C[C@@H](C[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1)c1ccccc1 698455638 FOXDYFHAUHCHGA-OXJNMPFZSA-N 429.358 6.277 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCSc2ccccc21 698457736 RBYQLGQFUNDMNY-NRFANRHFSA-N 445.382 6.105 30 10 IKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(Br)c2c(c1)OCCCO2 698470731 VEBUTECPXGOXBW-CZUORRHYSA-N 439.350 5.211 30 10 IKEE COc1ccc(Br)cc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 698885606 ASWTUVYCLOLPLL-QGZVFWFLSA-N 435.293 5.603 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]([C@](C)(C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 699669619 WVEIHPBWLJHCTJ-DFBJGRDBSA-N 449.636 5.876 30 10 IKEE CCCCCCCCCCC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 705476131 HUOWHRRSLIYEIJ-ZJSXRUAMSA-N 433.633 6.585 30 10 IKEE COC(=O)c1ccc(O)c(N/C(=N/[C@@H]2CCCC[C@@H]2C)N2CCC[C@@H]3CCCC[C@@H]32)c1 1088710122 VAJAUMQWLCFUJX-RUOSDFBUSA-N 427.589 5.180 30 10 IKEE CC(=C/c1ccccc1)/C=C1/SC(=Nc2ccncc2Cl)N(c2ccccc2)C1=O 1772738769 WADYOKAFGZDSQU-SCEJADKESA-N 431.948 6.490 30 10 IKEE Cc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=S)Nc2ccccc2)CCC3)c1 1772750434 UFYQAFMNKYNBCC-UHFFFAOYSA-N 432.549 5.176 30 10 IKEE Fc1ccc(-c2nn(-c3cccc(F)c3)cc2/C=N\NC(=S)Nc2ccccc2)cc1 1857808602 GSNCERWUPMRRIR-WGARJPEWSA-N 433.487 5.138 30 10 IKEE Cc1ccc(-n2cc(/C=N\NC(=S)Nc3cccc(F)c3)c(-c3ccccc3)n2)cc1 1857811979 MTQDGHCFGODTJP-YSMPRRRNSA-N 429.524 5.307 30 10 IKEE CCOC(=O)c1sc(NC(=O)C2(Oc3ccc(Cl)cc3)CCCCC2)c(C#N)c1C 1859736096 JBYHUKRAQHXNKN-UHFFFAOYSA-N 446.956 5.479 30 10 IKEE Cc1ccccc1-c1nc(-c2ccc(Nc3nccc(-c4ccccc4)c3C#N)cc2)cs1 1859862451 FBNZYFNPSDVKSI-UHFFFAOYSA-N 444.563 7.463 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](C)NC(=O)c1ccc(OCCCCCC)cc1 1861520141 JOKPTBJKTPBTDL-QFIPXVFZSA-N 432.649 6.021 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 1861552811 BSAFLJNQTBBDII-PVDYKJAOSA-N 442.644 5.042 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)CCCOc1c(C)cccc1C 1861677359 DAOVFXLURCIZND-QHCPKHFHSA-N 432.649 5.614 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)CCCOc1ccc(CC)cc1 1861712007 NAHCTYIMNDYBAT-MHZLTWQESA-N 446.676 5.950 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(OCC)cc2)n(-c2cccc3ccccc23)n1 1862360303 HBFFITOJHCERDA-UHFFFAOYSA-N 437.543 5.905 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(OC)c2)cc1 1862390592 HPSYEKKXNIFPCE-DEOSSOPVSA-N 445.515 5.409 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)cc1 1862402208 SYZODWPYQXDULZ-FBJLLXQBSA-N 449.547 5.169 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1cccc(F)c1 1862402447 YSRMUNRSUOZAGS-QFIPXVFZSA-N 425.500 5.301 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1cccc2ccccc12 1862405241 NKJVOVZYJKDMEA-XDHUDOTRSA-N 429.516 5.534 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1cc(Cl)cc(Cl)c1 1862415975 IHOMNRIVNIYALC-SFHVURJKSA-N 440.273 5.650 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(Cl)cc1 1862416548 HGQNWERDCWKCDO-HXUWFJFHSA-N 449.881 5.012 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@H]2c2ccccc2)cc1 1862429144 GYDCKCNPRDDPOV-JOCHJYFZSA-N 433.891 5.127 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccc(F)cc1)c1c(F)cc(F)cc1F 1862457667 UZZVSEPCPPKFOI-OAQYLSRUSA-N 447.428 5.544 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccccc2Cl)cc1 1862476353 JDBFVDQLBWCNLE-OAQYLSRUSA-N 427.928 5.042 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 1862481307 BUUNQVRXFVDZGH-HXUWFJFHSA-N 447.453 5.017 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(C(C)C)cc1 1862545939 MDTXMVIJEJYPJY-BVZFJXPGSA-N 431.576 6.066 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2cccc(C)c2)cc1F 1862636845 PSIIGUJBMNKHHY-QHCPKHFHSA-N 437.511 5.444 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862661615 WLPCSNPTNIHLDM-SANMLTNESA-N 443.587 6.587 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(CC)cc1 1862674626 ZNBHVJJJAYZMTP-UPVQGACJSA-N 437.555 6.325 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1cccc(O)c1 1862699534 VCNRJXUOZDSYNE-WMZHIEFXSA-N 437.536 5.338 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccccc1Cl)c1ccc2ccccc2c1 1862711883 FDNGIRBGROWHQV-QHCPKHFHSA-N 431.919 6.014 30 10 IKEE Cc1cc(C2=C(Nc3cccc(Cl)c3C)C(=O)N(c3ccc(C#N)cc3)C2=O)ccc1F 1863093349 MPDGNQZNAFRMOM-UHFFFAOYSA-N 445.881 5.364 30 10 IKEE N#Cc1ccc(NC2=C(c3cccs3)C(=O)N(c3ccc(C(F)(F)F)cc3)C2=O)cc1 1863113478 WIAPHAJAYJRNFW-UHFFFAOYSA-N 439.418 5.035 30 10 IKEE N#Cc1ccc(NC(=O)[C@H](NC(=O)[C@@H](c2ccc(Cl)cc2)C2CC2)c2ccccc2)cc1 1867001690 NLENTRQRROADTA-DNQXCXABSA-N 443.934 5.201 30 10 IKEE CC(C)c1nc(Nc2cccc(C#N)c2)cc(N2C[C@@H](c3ccccc3)Cc3ccccc32)n1 1868221720 WVWGXOGDYKSQAQ-DEOSSOPVSA-N 445.570 6.693 30 10 IKEE C[C@@H]1CN(c2cc(Nc3ccccc3C#N)nc(C(C)(C)C)n2)C[C@@H](C)N1c1ccccc1 1868350691 NNEIUNADOJWYDV-WOJBJXKFSA-N 440.595 5.493 30 10 IKEE N#Cc1nnn(-c2ccc(Nc3ccccc3)cc2)c1NC(=O)c1ccccc1C(F)(F)F 1870160042 XNZXCVZYXVOTSL-UHFFFAOYSA-N 448.408 5.154 30 10 IKEE C=CCn1cc(OCc2cccc(F)c2)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870166713 GXFMHZMPWKYVFY-UHFFFAOYSA-N 449.551 5.237 30 10 IKEE CCCCCCCOc1cn(C[C@@H](O)c2ccc(Cl)cc2)c(CSCC)cc1=O 1870259682 CSYWXWOVMDBBGM-JOCHJYFZSA-N 438.033 5.838 30 10 IKEE C=CCOc1cn(CCCCN(CC)CC)c(CNc2ccc(C(C)(C)C)cc2)cc1=O 1870812272 ANIFUSHWISKQED-UHFFFAOYSA-N 439.644 5.445 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)c(Cl)c2)c(=O)cc1CNc1cccc(F)c1 1870826140 PBJWNUQXIBMGQQ-UHFFFAOYSA-N 433.310 5.671 30 10 IKEE CCCCCCCOc1cn(Cc2cccc(C)c2)c(CNc2cc(C)ccc2C)cc1=O 1870836045 MDJQLXLKBGBSPA-UHFFFAOYSA-N 446.635 6.783 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2C)c(CNc2cc(C)ccc2C)cc1=O 1870836354 KQPDNQFPVRLRFX-UHFFFAOYSA-N 446.635 6.783 30 10 IKEE CCCCCCCOc1cn(CCNC(C)=O)c(CNc2ccccc2C(C)C)cc1=O 1870838528 IIQOIMCQSSBZKQ-UHFFFAOYSA-N 441.616 5.069 30 10 IKEE C=CCn1cc(OCc2c(F)cccc2Cl)c(=O)cc1CNc1ccc(Cl)cc1C 1871089498 OIFOWHVMVSOVJO-UHFFFAOYSA-N 447.337 5.980 30 10 IKEE C=CCn1cc(OCc2ccccc2F)c(=O)cc1CNc1ccc(OC)c(Cl)c1 1871244563 KQYBQHZIZAXLDQ-UHFFFAOYSA-N 428.891 5.027 30 10 IKEE CCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CNc1ccc(Cl)cc1 1871257554 HNVUIKHFPGEESC-UHFFFAOYSA-N 433.036 6.899 30 10 IKEE CCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CNc1ccc(CC)cc1 1871258050 MQUNFXGXTICJBT-UHFFFAOYSA-N 426.645 6.808 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1cccc(Cl)c1)O3)CN(CCCOC(C)C)CO2 1871346245 RQYFDBMWNKLWPY-MTJSOVHGSA-N 427.928 5.232 30 10 IKEE CCCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1cccc(Br)c1)C3=O 1871346529 KWOZQUKZBSFATL-NDENLUEZSA-N 442.353 5.716 30 10 IKEE CC[C@@H](C)N1COc2ccc3c(c2C1)O/C(=C\c1cn(CC)c2ccc(OC)cc12)C3=O 1871352004 LNRUTZYDXDGIEN-CACIFTLBSA-N 432.520 5.236 30 10 IKEE Cc1cc(OC(=O)c2cc(Cl)ccc2Cl)cc2c1C(=O)/C(=C/c1cccs1)O2 1871381377 QSAXJFKXWOERSH-ZDLGFXPLSA-N 431.296 6.199 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871389617 FZZVKOOTZOJEFW-JLPGSUDCSA-N 426.468 5.704 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OC(c4ccccc4)c4ccccc4)cc(C)c3C2=O)c1 1871430499 DBBXXTNJYGUQJB-IMRQLAEWSA-N 448.518 6.788 30 10 IKEE CCCN(CCC)C(=O)COc1cc(C)c2c(c1)O/C(=C\c1cn(C)c3ccccc13)C2=O 1871430637 MZLLMBXNWVJQMY-OYKKKHCWSA-N 446.547 5.130 30 10 IKEE CCCCCCCCN=c1nc(N2C[C@@H](C)C[C@@H](C)C2)[nH]c(=NCCCCCCCC)[nH]1 1871469246 WBZANHUSBGKOHJ-ZRZAMGCNSA-N 446.728 5.743 30 10 IKEE C=CCN([C@@H](C)C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)S(=O)(=O)c1ccccc1 1872319470 DQANJOGCOUXQTP-IBGZPJMESA-N 428.598 5.137 30 10 IKEE CCc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)n2)cc1 1872761402 MMLXEXIATGJNKC-UFUQCMIWSA-N 448.544 5.288 30 10 IKEE N#C[C@@H](C(=O)COc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872762272 HSCBRTGVXGDVKA-HNNXBMFYSA-N 437.735 6.026 30 10 IKEE COc1ccc(/C=C(/C(=O)[C@@H](C#N)c2nc(C(C)(C)C)cs2)c2ccccc2)cc1OC 1872767897 DGQOVSXCINJTDG-UMSHPIDHSA-N 446.572 5.875 30 10 IKEE COc1cc(OC)c(-c2csc([C@@H](C#N)C(=O)Cc3ccccc3Cl)n2)cc1Cl 1872782222 HFTJCBGIDAXBBC-AWEZNQCLSA-N 447.343 5.553 30 10 IKEE Cc1cc(C)c(-c2csc([C@@H](C#N)C(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)n2)c(C)c1 1872786560 NFQMLEQQILXLMK-KRWDZBQOSA-N 434.521 5.200 30 10 IKEE C=CCn1c(C(=O)Nc2cc(Cl)ccc2C)cc2c(N(CCC)CCC)ncnc21 1873665887 NJLZJXSHXTTZBQ-UHFFFAOYSA-N 425.964 5.458 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3cc(C)ccc3OC(C)C)c(=O)oc2c1 1873959040 XXIRDPUSKWBJRQ-UHFFFAOYSA-N 435.520 5.333 30 10 IKEE C=C(C)CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1cc(C)ccc1O 1874243625 PEJIPXJDKITGST-VULFUBBASA-N 436.625 5.601 30 10 IKEE CCCc1ccc(OCc2nnc(SCc3ccc(C)cc3)n2/N=C/c2ccc[nH]2)cc1 1874257140 LQGWZUATNHWTBP-JVWAILMASA-N 445.592 5.621 30 10 IKEE C=C(C)CSc1nnc(COc2c(C)cccc2C)n1/N=C/c1ccc(N(C)C)cc1 1874299440 AEENAMPRHJOBFR-AFUMVMLFSA-N 435.597 5.090 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(OC)cc2)n1/N=C/c1c(F)cccc1Cl 1874305612 GLLOPULPKVXHMD-DHRITJCHSA-N 444.963 5.415 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3F)n2/N=C/c2cccn2C)cc1C 1874320657 CJGQSJBFYKKNAT-VULFUBBASA-N 449.555 5.126 30 10 IKEE Cc1cccc(OCc2nnc(SCc3ccc(F)cc3)n2/N=C/c2cccnc2)c1C 1874321723 GSCNFBJUSRQKMY-MZJWZYIUSA-N 447.539 5.183 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(C)c3)n2/N=C/c2cccc(C)c2)cc1 1874388459 NGPINMMOSPFBBD-WPWMEQJKSA-N 426.589 5.969 30 10 IKEE Cc1ccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccc([N+](=O)[O-])cc2)cc1 1874405074 FGYSGJPQNKTQRA-PCLIKHOPSA-N 449.580 5.792 30 10 IKEE Cc1ccccc1CSc1nnc([C@H]2CCCO2)n1/N=C/c1ccc(Cl)cc1Cl 1874444159 SKNWAVXTHOXUJN-QVHMZZSFSA-N 447.391 5.919 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2cccc(F)c2)o1 1874454932 SHMJUFPDMZRXPZ-ZMOGYAJESA-N 442.516 5.019 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CCCC)nnc2SCc2ccc(C)cc2)cc1 1874475880 WYIFFPYYHFAVJZ-NLRVBDNBSA-N 436.625 6.283 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc(O)c(OCC)c1 1874478840 UZUFQXJAHNWMOJ-ZVHZXABRSA-N 444.988 5.553 30 10 IKEE COC(=O)c1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C(C)C)cc1 1874513524 CDCVCPYRDWKXPC-FSJBWODESA-N 428.945 5.016 30 10 IKEE CC(C)c1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(N(C)C)cc1 1874515032 NXVVYEGQXUBYSG-WGOQTCKBSA-N 429.593 5.795 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c1OCc1cc(C)ccc1C 1874572002 RCWOIHNCIHCAPW-FOCLMDBBSA-N 426.556 6.666 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)c1 1874572419 MGUNBDUFPXPBPR-RMKNXTFCSA-N 447.745 7.131 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCCC)cc1OCCC 1874576200 BQKZZJSSKPUJPE-CSKARUKUSA-N 446.971 6.611 30 10 IKEE CCOC(=O)c1ccc(COc2ccccc2/C=C/C(=O)c2cc(C)c(OC)cc2C)o1 1874591094 ROXZARYHBHSURY-ZRDIBKRKSA-N 434.488 5.557 30 10 IKEE Cc1ccc(NC(=O)COc2cccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)c2)cc1 1874599380 KDGDEMBVRZQPPL-SDNWHVSQSA-N 427.544 6.142 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(OC)c1OCc1ccc(Cl)cc1 1874605765 FHFWCNGXYAKXPI-SDNWHVSQSA-N 448.946 6.561 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3F)c([N+](=O)[O-])c2)cc1 1874607465 PRAKVTMMUOBOPQ-RVDMUPIBSA-N 433.479 6.552 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(OC)c1OCc1ccccc1F 1874609205 DJEGYLTXJHQJGT-XNTDXEJSSA-N 432.491 6.047 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1cccc(F)c1 1874610663 FASNEWYXMIPENS-BJMVGYQFSA-N 441.842 5.871 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2Cl)c(C)c1 1874617944 BFANNRGBLFPADQ-DHZHZOJOSA-N 447.962 6.487 30 10 IKEE Cc1ccc(C)c(COc2ccc(/C=C/C(=O)c3cccc4ccccc34)cc2[N+](=O)[O-])c1 1874623257 SXYACKABCKMICI-WYMLVPIESA-N 437.495 6.840 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1Cl)NCc1ccco1 1874623847 YTIOUMQPQFFPBB-ZRDIBKRKSA-N 445.902 5.678 30 10 IKEE COc1cc(C(=O)/C=C/c2cc(Br)c(OC)c(OC)c2)c(OC)cc1Cl 1874631097 KEICQLHRFKQKNV-AATRIKPKSA-N 441.705 5.033 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3cc(C)c(Cl)c(C)c3)c2)cc1 1874694603 LPWRDGLOOJHQPG-JLHYYAGUSA-N 448.946 6.400 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1OC(=O)c1ccco1 1874710568 DSBUYDDYWIPDIP-OQLLNIDSSA-N 440.451 6.196 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3ccc(C)c(C)c3)c2)c(OC)c1 1874714385 SQRLTADSAVSSDH-UKTHLTGXSA-N 446.499 5.201 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(OC)c1OC(=O)C(F)(F)F 1875095672 BBPNQASYDJPXNV-FMIVXFBMSA-N 440.417 5.941 30 10 IKEE Cc1ccsc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1[N+](=O)[O-] 1875097353 HMJVBXPHSAJIPL-UXBLZVDNSA-N 447.512 5.959 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)CCc3ccccc3)c(OC)c2)cc1 1875099976 IIFYDLCWZALFDL-FOWTUZBSSA-N 444.527 5.701 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(Cl)c1OC(=O)CCCSC 1875100884 MMERWICAMTULFH-JLHYYAGUSA-N 446.996 6.246 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)ccc1OC(=O)CSc1ccccc1 1875103466 ZYYFVZMWBXGFAW-FOWTUZBSSA-N 446.568 6.242 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)cc1 1875112431 IIYUYPYZHDZGMD-WLRTZDKTSA-N 441.310 6.046 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1)c1ccc(Cl)c(Cl)c1 1875133980 HLBSULRYKKOCQY-XNTDXEJSSA-N 447.317 7.262 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2OC)cc1 1875136394 MSSDGSYJTQNYFP-LFIBNONCSA-N 428.528 6.000 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1OC(=O)c1cccc(F)c1 1875137017 RODQCPLNXBECCL-FMIVXFBMSA-N 449.434 5.556 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(C)c3)cc2Cl)c1 1875141387 BPSMIGCJXUKMHT-UXBLZVDNSA-N 436.910 6.449 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2cc(OC)ccc2OC)cc1OCC 1875144787 OYJMYOGAZYXBFB-PKNBQFBNSA-N 446.927 5.748 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OC(=O)CC(C)(C)C 1875150347 IXGOBWLLQXVFIB-FNORWQNLSA-N 430.884 5.315 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)C(C)(C)C 1875157325 YZRHEIFTWMDNOE-MDWZMJQESA-N 428.956 6.710 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1ccc(Cl)cc1 1875164193 XGRGJIUAYWCGIO-QDEBKDIKSA-N 442.845 6.132 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)ccc1OC(=O)COC 1875164726 XXTFCKWLEREVHX-OQLLNIDSSA-N 432.472 5.326 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](O)c1cc(Br)c(Cl)s1 1922078278 VLVHRMBJKWQCAU-ROUUACIJSA-N 444.822 5.339 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)C1(CNC(=O)OC(C)(C)C)CCC(C)CC1 1922094948 PQFLSOIRSNUKDN-DSYMUFTKSA-N 444.660 5.849 30 10 IKEE C=CCC1(NCc2ccc(NC(=O)OC(C)(C)C)cc2)CCN(C(=O)OC(C)(C)C)CC1 1924532923 HKOSCYLEAXEKHS-UHFFFAOYSA-N 445.604 5.469 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1944736824 RBBKJBRCEXZCCU-RBUKOAKNSA-N 449.979 5.763 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCC[C@]12CCN(C(=O)OC(C)(C)C)C2 1950307480 NKOJFMNQRUMBGG-DNQXCXABSA-N 435.609 5.343 30 10 IKEE N#Cc1ccc([C@@H]2[C@H](C(=O)O)CCN2C(=O)OCC2c3ccccc3-c3ccccc32)s1 1952856543 AZSHCNSWXRAVNS-OFNKIYASSA-N 444.512 5.016 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)C(F)(F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2012268251 PSHUIHMKNJYVES-NHCUHLMSSA-N 438.559 5.020 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 2014447835 LBHABUHVDONMDS-XUZZJYLKSA-N 430.633 5.411 30 10 IKEE C=CCCCCCCCC[C@@H](O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2026312143 FWBPVIPQXUJBBB-BJKOFHAPSA-N 433.633 6.154 30 10 IKEE C=C(C)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3[C@@](C)(CO)[C@@H](O)CC[C@@]34C)[C@H]12 2037748620 RFCPTXGFYWKJJB-MYCGQOMASA-N 442.728 6.997 30 10 IKEE Cc1ccc([C@@H](n2nc(C(F)F)c(C#N)c2I)C(C)(C)C)cc1 2079052201 SLUOKZUKKAUGMK-CQSZACIVSA-N 429.252 5.241 30 10 IKEE C=CCN(C[C@H](NCCC)c1c(F)cc(C)cc1Br)C(=O)OC(C)(C)C 2116827731 DSOSRUOBUJNVNK-KRWDZBQOSA-N 429.374 5.360 30 10 IKEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(Cl)ccc(Br)c1F 2122144257 ZNYJMQNKGMCKOB-YOEHRIQHSA-N 447.776 5.199 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)c(F)c1F 2159130592 SYKMVAHWFVFSCH-CRAIPNDOSA-N 445.348 5.075 30 10 IKEE N#Cc1cc(Br)cc(N2CCCCN(Cc3ccccc3)CC(F)(F)C2)c1 2164877335 VTYAUFZWEAGQRR-UHFFFAOYSA-N 434.328 5.058 30 10 IKEE CC1(C)CCC[C@H]([C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)C1 2168592810 RCCIDWDKNFHFBU-KSFYIVLOSA-N 435.406 6.689 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](Cc2ccc(C)c(Br)c2)NCCC)C1 2197748747 MPGXNCLOQKOUGM-LJQANCHMSA-N 437.422 5.282 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCC)c2ccc(Br)cc2Cl)C1 2222752381 SQSAPDVLQGMSFQ-MRXNPFEDSA-N 429.786 5.367 30 10 IKEE CCCCCCC[C@H](N)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229115236 FFBXZBSRLWYEFU-RBUKOAKNSA-N 427.427 5.573 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(CCC(=O)C#Cc2ccccc2Br)cc1 2235729014 SJDSEIWLDPUGQZ-UHFFFAOYSA-N 428.326 5.350 30 10 IKEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc([C@H](N)C#Cc2ccccc2Br)cc1 2235749966 PUSVRMSRLNVOHQ-FOIQADDNSA-N 429.358 5.086 30 10 IKEE C=CCC[C@@H](C)[C@@H](NCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237413871 NIRZCQBEHCPKPG-LSTHTHJFSA-N 439.438 5.465 30 10 IKEE Cc1cnc(Oc2cc(F)c(Br)cc2Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2241085720 FUFAPUCIXVFJOQ-UHFFFAOYSA-N 442.521 5.037 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1sc(Br)c(C)c1C 2254683201 XMRCPJONXIPVPP-GJZGRUSLSA-N 431.440 5.638 30 10 IKEE CCCN1C(=O)C(=Cc2ccc(OCc3ccc(F)cc3)cc2)SC1=Nc1ccccc1 2293382675 ORBYSQOCJBEZHN-UHFFFAOYSA-N 446.547 6.419 30 10 IKEE C=CCN1C(=O)C(=C2Sc3ccccc3N2C)SC1=Nc1cc(C#N)ccc1NCC 2297504929 XBJPMINCFMFMCY-UHFFFAOYSA-N 447.589 5.150 30 10 IKEE CN=C1SC(=Cc2cc(Br)c(Sc3ccc(Cl)cc3)o2)C(=O)N1C 2313562569 XHEPKAKKBFBYBJ-UHFFFAOYSA-N 443.775 5.379 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cccc(OCc2ccccc2)c1 2314460814 OMNHGVQTFMNRPZ-JWQCQUIFSA-N 436.596 5.613 30 10 IKEE Clc1ccc(CSc2nnc(C3CC3)n2N=Cc2ccc(Cl)cc2Cl)cc1 2320880717 DJYMUXXPNLRIKE-UHFFFAOYSA-N 437.783 6.290 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OCc4ccccc4Cl)ccc3C2=O)cc1 2321762186 BFCGAEGJUWCLIX-UHFFFAOYSA-N 433.935 6.381 30 10 IKEE Cc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(CCc1ccc(F)cc1)C3 2321937117 CHUXIIOZZFBOBC-UHFFFAOYSA-N 429.491 5.453 30 10 IKEE CCOc1ccc(Cc2nnc(S)n2N=Cc2ccc(OCc3ccccc3)cc2)cc1 2322083228 NJSVJPDMEUZDGJ-UHFFFAOYSA-N 444.560 5.018 30 10 IKEE CCN(CC)CCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(Cl)cc1)C3=O 2322114899 SPAKNTPXVREDMY-UHFFFAOYSA-N 440.971 5.148 30 10 IKEE COc1cccc(C=C2Oc3c(cc4c(c3C)OCN([C@H]3CCCC[C@H]3C)C4)C2=O)c1OC 2322391664 ORGKQXNMWKEVLL-IERDGZPVSA-N 449.547 5.359 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccccc1Cl)C3=O)CN(C1CCCCCCC1)CO2 2322415176 LCAMQUKDSYYFGC-UHFFFAOYSA-N 437.967 6.529 30 10 IKEE Cc1cc(C(=O)C=Cc2c(OCc3cccc(Cl)c3)ccc3ccccc23)ccc1F 2322630955 UBOZWGAWEBLLKC-UHFFFAOYSA-N 430.906 7.416 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1cccc2ccccc12)c1ccc2c(c1)OCO2 2322698883 LEMWNDWTNJZFAZ-UHFFFAOYSA-N 442.898 6.697 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1OCc1cccc(F)c1 2323081454 SXARECDZUFHFKS-UHFFFAOYSA-N 441.296 6.072 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc(C=CC(=O)c3ccc4ccccc4c3)cc2)c1 2323395726 AROVZUFPTNSLJX-UHFFFAOYSA-N 435.523 6.370 30 10 IKEE Cc1c(OC(=O)CC2CCCCC2)ccc2c1OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2323486160 RSKUATYGNABWGS-UHFFFAOYSA-N 432.560 6.785 30 10 IKEE CCOc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2OC)C3=O)cc1 2323511386 UVUQWSDBFNQSEO-UHFFFAOYSA-N 442.467 5.329 30 10 IKEE CCCOc1c(Cl)cc(C=NNc2nc(-c3c(C)cc(C)cc3C)cs2)cc1Cl 2323840183 VGCNKKIUEWVXOY-UHFFFAOYSA-N 448.419 7.277 30 10 IKEE CCCCOc1c(OC)cc(C=NNc2nc(-c3cccs3)c(C)s2)cc1[N+](=O)[O-] 2323840734 QDVMMBQHBBFQTG-UHFFFAOYSA-N 446.554 5.722 30 10 IKEE CCOc1ccc(C=NNc2nc(-c3ccc(Cl)cc3)cs2)cc1Br 2323857926 DIMDTQXAUWBXOZ-UHFFFAOYSA-N 436.762 6.071 30 10 IKEE C[C@H]1C[C@H](C)CN(Cc2c(O)ccc3c2OC(=Cc2ccc(Cl)c(Cl)c2)C3=O)C1 2324054950 QPSZODFRFVHIOO-KBPBESRZSA-N 432.347 5.793 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cccc(C)c3)cc2)c(C)c1C 2324295048 TZQYNRQFBLXZLR-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(O[C@@H](C)C(=O)Nc3ccc(F)cc3)ccc2C1=O 2324305787 FQGXFSNPTBLCCL-INIZCTEOSA-N 447.462 5.247 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)c(OC)c1 2324464992 IEPRGXGJBTVCLV-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)ccc1OCc1ccc(C)cc1 2324522287 PXSHSBGZNTWAIW-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(Br)c1OCCCO 2324561417 DLECVWPKCZJPGY-UHFFFAOYSA-N 433.342 5.040 30 10 IKEE Cc1cccc(OCCCOc2cc(C)c3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)c1 2324563982 LMEHUAGIZVJECI-UHFFFAOYSA-N 445.471 5.676 30 10 IKEE COc1ccc(OC)c(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)s3)cs2)c1 2324820389 ABLRRWZJOSAQLY-CQSZACIVSA-N 430.938 5.432 30 10 IKEE CCCCCCCCCCOC(=O)COc1ccc2c(c1)OC(=Cc1ccc(C)o1)C2=O 2325045358 DSAULLKNYVPHKY-UHFFFAOYSA-N 440.536 6.267 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2cccs2)C3=O)c(Cl)c1 2325292363 UVXRKCHWJYUJEG-UHFFFAOYSA-N 425.893 5.344 30 10 IKEE Cc1ccc2nc(-c3ccc(NC(=O)C(=O)C=Cc4ccc(N(C)C)cc4)cc3)sc2c1 2325511308 VNVKHADSXBOGNB-UHFFFAOYSA-N 441.556 5.559 30 10 IKEE COc1ccc(CCOc2cc(C)c3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)cc1 2325631627 OCRFQWXZQYOHEQ-UHFFFAOYSA-N 431.444 5.150 30 10 IKEE CCCCOc1ccc(C=Nn2cnnc2SCc2cccc(F)c2)cc1OCC 2325649540 HOYSXZIPNUPCCL-UHFFFAOYSA-N 428.533 5.169 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(-c4ccccc4)cc3)c2)cc1C 2325714470 ANUBTOWPVQLPLC-UHFFFAOYSA-N 448.518 6.786 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)c1 2325726911 LCASIPFONLIPJG-UHFFFAOYSA-N 441.527 5.926 30 10 IKEE CCOc1cccc(C(=O)Oc2cccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)c2)c1 2325757003 VRJUAXRHOXQOFZ-UHFFFAOYSA-N 428.528 6.434 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(Cl)cc3)c2)cc1Cl 2325768236 OZOAGCCPIMGSIL-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1ccc(Cl)cc1 2326338102 MEIUGPLISDQTOE-UHFFFAOYSA-N 441.000 5.666 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccccc1C(F)(F)F 2326569921 AOLRQICSNNTNIK-UHFFFAOYSA-N 442.869 5.826 30 10 IKEE CCCCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1N=Cc1ccccc1F 2326878926 XUYYJPSHLWPTFC-UHFFFAOYSA-N 444.532 5.093 30 10 IKEE C=C(C)CSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1ccccc1OC 2327000997 IEHWQKAAOARMAY-UHFFFAOYSA-N 436.581 5.157 30 10 IKEE Cc1ccccc1CSc1nnc(COc2ccccc2Cl)n1N=Cc1ccccc1 2327619121 HNTVQVVZLNEIFM-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2Cl)n1N=Cc1cc(Cl)ccc1O 2327954551 UMAJYZMYETVHJZ-UHFFFAOYSA-N 447.391 5.626 30 10 IKEE CCCSc1nnc(COc2c(C)cccc2C)n1N=Cc1cn(C)c2ccccc12 2328559538 COZIIWNWDQHMIX-UHFFFAOYSA-N 433.581 5.350 30 10 IKEE COc1cccc(C=Nn2c(CCc3cccs3)nnc2SCc2ccccc2C)c1 2329635306 AHUGHPWLVIBOPV-UHFFFAOYSA-N 448.617 5.616 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cc(C)ccc3C)n2N=Cc2ccncc2)cc1 2329995348 HMFRSRBJSFMADK-UHFFFAOYSA-N 427.577 5.364 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2Cl)n1N=Cc1ccccc1O 2330110318 KEQNTTUXPGJWSS-QGZVFWFLSA-N 448.979 5.963 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(Cc3cccs3)nnc2SCc2ccccc2)cc1 2330391970 BUUKMGXXAPHION-UHFFFAOYSA-N 446.645 6.402 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3cccc(C)c3)nnc2-c2cccs2)c1 2330549241 CJKMEVPSAXQAOK-UHFFFAOYSA-N 434.590 5.888 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccccc2)cc1 2330653569 OQMDNDZJNCCHOL-UHFFFAOYSA-N 445.504 5.036 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3Cl)c([N+](=O)[O-])c2)cc1 2330748441 NYNAIIRMQHAJQE-UHFFFAOYSA-N 435.863 5.926 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1cccc(F)c1 2330824570 OHPGYKONEAQPAB-UHFFFAOYSA-N 427.505 5.089 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cnc(C)cn3)c(OCC)c2)cc1 2330842170 JVDCMBVISKCLQW-UHFFFAOYSA-N 444.531 5.642 30 10 IKEE CCOc1ccc(C=Nn2c(CCOC)nnc2SCc2cccc3ccccc23)cc1 2331300449 GAVZTPLRONYFNX-UHFFFAOYSA-N 446.576 5.193 30 10 IKEE Cc1ccc(C=Nn2c(SCC(=O)Nc3cccc(C)c3C)nnc2C(C)(C)C)cc1 2331364495 HGTHBWIQWVQSNF-UHFFFAOYSA-N 435.597 5.114 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C(C)(C)C)cc1 2331397923 IEZRTJCINXRITI-UHFFFAOYSA-N 427.017 6.527 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(F)c3)cc2Cl)c1 2331557017 LLZQOYCKWUASAD-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc([N+](=O)[O-])c1OC(=O)CC 2331750626 PTUNZOSLEGXAGQ-UHFFFAOYSA-N 447.871 5.175 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H]3CCCO3)c(Cl)c2)c2ccccc12 2331866763 LPMPAEPRVSSJQV-XMMPIXPASA-N 436.891 5.482 30 10 IKEE CC(C)(C)OC(=O)NCCCCCCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339601936 DAGYQCDWUNXAGE-UHFFFAOYSA-N 446.397 5.190 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C/c1ccc(-c3ccccc3)cc1)C2=O)c1ccc(F)cc1 2421684 SKSJIJRLGOEJIG-WGOQTCKBSA-N 436.438 6.328 30 10 IKEE CCc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc3c(c2)OCO3)cc1 21226040 JNDQPYFYBIQQCF-NGOKVRLYSA-N 438.527 5.957 30 10 IKEE O=C(Nc1cc(-c2onc3c2CCCC3)ccc1Cl)C(F)(F)C(F)(F)C(F)(F)F 22670334 SOIMWOIZEKMTMC-UHFFFAOYSA-N 444.734 5.645 30 10 IKEE CCOC(=O)[C@H](Oc1ccc2c(c1)O/C(=C\c1ccc(C(C)C)cc1)C2=O)c1ccccc1 27097618 CKCKEHADIZCAEX-ZGOFBEGVSA-N 442.511 6.109 30 10 IKEE CC(C)(C)c1ccc(/C=C2\Oc3cc(OCc4ccc(F)cc4Cl)ccc3C2=O)cc1 34106390 UWTFTKGALXQDNI-MSXFZWOLSA-N 436.910 6.972 30 10 IKEE C=CCC[C@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1 36342097 KLUNIVGFUBSWIU-QHCPKHFHSA-N 437.559 5.651 30 10 IKEE CC[C@H](Sc1nnc2ccc3ccccc3n12)C(=O)Nc1sc2c(c1C#N)CCCC2 40169867 LKYPXLZEZDEQLM-SFHVURJKSA-N 447.589 5.204 30 10 IKEE C=CCn1c(CCCCCNC(=O)c2cccc(Br)c2)nc2ccccc21 40213645 LEUCYTJBFUOQLK-UHFFFAOYSA-N 426.358 5.128 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)c1ccc(OCCCCCC)cc1 100141411 NGLBACIWBPVVCT-UHFFFAOYSA-N 445.732 8.857 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc(NC(=O)CNc2ccc(C)cc2C)cc1 104051895 IGMFAQFASUYDCC-UHFFFAOYSA-N 437.628 6.225 30 10 IKEE Cc1ccccc1-c1cc(C(=O)N[C@@H](C#N)c2ccc(F)cc2F)c2cnn(C(C)C)c2n1 111030246 LUAIEQRSDHFWNY-QHCPKHFHSA-N 445.473 5.261 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1ccc(C#N)cc1 169945735 KQQNGBRXOPUBQX-QFIPXVFZSA-N 444.874 5.003 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(OC(C)C)cc2)ccc1F 169979328 PHDZNIQYXDOJOS-QHCPKHFHSA-N 437.511 5.442 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@@H]2c2ccccn2)cc1 169996793 VRYHGDQVSSXDBF-JOCHJYFZSA-N 432.907 5.389 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2c2ccccc2)cc1 170029199 JCFONICTMINDPF-HSZRJFAPSA-N 447.462 5.016 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccc(O)cc2)c1 170132130 FVDUGLMRJZNIMW-VWLOTQADSA-N 435.479 5.637 30 10 IKEE C=CCN1C(=O)C(Nc2cccc(C(F)(F)F)c2)=C(c2ccc(Cl)cc2Cl)C1=O 170134898 OGHLRZREIXWFQM-UHFFFAOYSA-N 441.236 5.390 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccc(C)c2)c1 170140476 HZCYIUDQKQXVDW-DEOSSOPVSA-N 445.490 5.706 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccc(C)c2)c1 170142141 PCSSPRWGVCEERZ-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc(C)c2)c1 170145433 LOQGLPZLPPUUFN-QFIPXVFZSA-N 439.939 5.568 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1cccc(OC(C)C)c1 170153215 RTQLLQHYEGPWHE-HSZRJFAPSA-N 437.536 5.169 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccs2)c1 170154369 UZNYYKWOQUSMHV-SFHVURJKSA-N 445.949 5.250 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2cccs2)c1 170158558 NCAYDELEALUFGJ-JOCHJYFZSA-N 431.513 5.083 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1cccs1)c1ccc2ccccc2c1 170162943 BHIWQQVEQGRKRJ-QFIPXVFZSA-N 426.497 5.075 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2)cc1C(C)C 170231438 XROLSJQOVGMRFQ-DEOSSOPVSA-N 433.548 5.730 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccccc2)cc1 170234330 GLGNUJKAIQMAEE-XMMPIXPASA-N 445.490 5.391 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccccc1F 170253362 CASLMZQRXNXFRW-NRFANRHFSA-N 437.467 5.349 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccc(O)c2)c1 170256729 JJJJNGCYIXXOSO-JOCHJYFZSA-N 449.528 5.019 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2C2CCCCC2)cc1 170266729 UHDZTQCANDVGHJ-DEOSSOPVSA-N 431.532 5.095 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccco2)cc1C(C)C 170296073 SIQCVHFWEXNHQW-HSZRJFAPSA-N 449.478 5.329 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2sccc2C)c(C)c1 170312463 MIZBXMGSMQDNOG-LJQANCHMSA-N 439.558 5.214 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(Cl)cc(Cl)c2)[C@@H]1c1ccc(F)cc1)c1ccccc1 170377011 LVQFKKIKUJQIKB-HXUWFJFHSA-N 442.273 5.915 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2c[nH]c3ccccc23)c1 170382636 QIUGQRWESYFHLK-QFIPXVFZSA-N 444.512 5.411 30 10 IKEE CC(C)c1ccc2nc(N3C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]3c3ccccn3)sc2c1 170479413 OICCIWDYMZIRGM-LJQANCHMSA-N 435.549 5.330 30 10 IKEE C[C@]12CCCC[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)C(=O)/C(=C\c3ccc(Br)cc3)C[C@H]12 253562013 CTGFFXZZHKKDLF-OSCVOCOVSA-N 441.453 7.444 30 10 IKEE Oc1ccccc1/C=N\[C@@H]1c2ccccc2O[C@]2(/N=C/c3ccccc3O)CCCC[C@H]12 254740330 PPJFANUQDXSZTQ-NLNDXQMESA-N 426.516 5.656 30 10 IKEE O=S(=O)(c1ccc(N=Cc2cccc(OCc3ccccc3)c2)cc1)N1CCCCCC1 257352110 JDNNAEKAKRBMSP-UHFFFAOYSA-N 448.588 5.581 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2c(C)[nH]c3ccccc23)c1 526515522 IWWRGHPSGLOUTO-RUZDIDTESA-N 435.483 5.414 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccc(O)c(O)c2)c(C)c1 526812405 SYDVTHWUNDZVEZ-YSMPRRRNSA-N 444.560 5.071 30 10 IKEE Clc1cccc(Cl)c1CSc1nncn1/N=C\c1cccc(Br)c1 526814434 OAAKWKMQBJNREK-WNFQYIGGSA-N 442.169 5.522 30 10 IKEE CCCOc1c(/C=N\n2c(CC)nnc2SCc2ccccc2Cl)cccc1OC 526816761 MRZRAHPCZVEWDF-OYKKKHCWSA-N 444.988 5.466 30 10 IKEE CCCOc1ccc(/C=N\n2c(C)nnc2SCc2cccc3ccccc23)cc1OC 526821303 LMGCRZOHXRDLFX-QQXSKIMKSA-N 446.576 5.712 30 10 IKEE N#Cc1ccccc1NC(=O)Nc1ccc(C(=O)Nc2cccc(OC(F)(F)F)c2)cc1 586722099 RHSYGTWRCRXUGW-UHFFFAOYSA-N 440.381 5.353 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)C[C@@H]1C 698483890 LGKRZDXCANGFIC-UUOWRZLLSA-N 429.561 5.276 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2cccc(F)c2Br)cc1 698968094 UHNVZFYCXVOWRX-KRWDZBQOSA-N 435.293 5.603 30 10 IKEE COCc1ccccc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 710792939 IGXJBCXVQQVIDC-LJQANCHMSA-N 431.330 5.602 30 10 IKEE C#CCCCCC[C@@H](NCC)c1ccc(I)c(Br)c1 721592909 LACAFFIVBAQWQH-MRXNPFEDSA-N 434.159 5.288 30 10 IKEE Cc1ccc(-c2ccc(/C=C\C(=O)n3cc(C#N)c4ccccc43)o2)c(Br)c1 1084315628 ZVIQPUXIIILBCH-FLIBITNWSA-N 431.289 6.198 30 10 IKEE CCOC(=O)c1sc(N=Cc2ccccc2OCc2ccccc2)c(C(=O)OC)c1C 1084491093 UBNOJEJXISFXFY-UHFFFAOYSA-N 437.517 5.349 30 10 IKEE C[P@@](=O)(Nc1ccccc1)O[C@H](c1ccccc1)C(F)(F)C(F)(F)OC(F)(F)F 1088749450 OWWRQOUZYINNQG-ONSXPEOJSA-N 445.271 6.444 30 10 IKEE CC(=C\c1ccccc1)/C=C1/S/C(=N/N=C/c2ccccc2C)N(Cc2ccco2)C1=O 1615304318 PYRWDHQGFOLKPZ-AJMUIMATSA-N 441.556 6.041 30 10 IKEE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1C(=NNc1ccccc1)CCC2 1772750670 FUXITDUPUYPROU-INIZCTEOSA-N 431.511 5.861 30 10 IKEE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1C(=NNc1ccccc1)CCC2 1772750684 GFSQMIUJCVUGJS-UHFFFAOYSA-N 438.325 5.755 30 10 IKEE N#Cc1c(O)nc(SCc2ccc(Br)cc2)nc1-c1ccccc1Cl 1860825309 YVWLRSHLZPKTLM-UHFFFAOYSA-N 432.730 5.429 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(F)cc1F 1862380497 DTBXDBJNWRAUNR-SFHVURJKSA-N 440.273 5.506 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C(C)C)cc1 1862380515 FGHXXPBKKBJWEP-HXUWFJFHSA-N 432.347 6.104 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOCC)[C@H]2c2ccccc2F)cc1 1862391139 TZFIVRQXUDFZDH-QHCPKHFHSA-N 439.527 5.173 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccc(OCC)c(OC)c2)cc1 1862394132 JDSQKCSYYIOYHD-XMMPIXPASA-N 449.547 5.177 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccccc1Cl)c1cccc(Cl)c1 1862446470 SZYGKNUMGMSHLB-FQEVSTJZSA-N 430.331 5.904 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2c(F)cccc2Cl)cc1 1862480796 PEJFDKUIFJYNPJ-JOCHJYFZSA-N 441.930 6.089 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCCCC2)cc1OC 1862481775 ILZWOCUOMBRZNG-XMMPIXPASA-N 449.547 5.313 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2cccc(F)c2)cc1 1862556264 RZVAXRYPKQFBLR-UPCLLVRISA-N 444.506 5.310 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1c(F)cccc1Cl 1862592924 NHLJQNXSLNJGPY-XMLVGPMBSA-N 443.902 5.342 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccccc1Cl 1862594390 DDZDJIKTXZSVAS-HTAPYJJXSA-N 441.955 5.983 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(OC)c(O)c1 1862618935 JZCOVQQFBOCBRM-QRQCRPRQSA-N 437.536 5.075 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc2ccccc12 1862652383 HOXXYBGFFXTMCF-MHZLTWQESA-N 449.550 6.762 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccc(F)cc2)cc1 1862663790 WXXZHCWUSWTCPT-RUZDIDTESA-N 447.550 6.418 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2C2CCCCC2)cc1 1862707457 WGIFFMDUPVBZAK-XMMPIXPASA-N 449.547 5.395 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1Cl 1862744307 MBYAYLLDOHHDTL-SFHVURJKSA-N 449.290 5.136 30 10 IKEE Cc1ccc(Cl)cc1NC1=C(c2ccc(F)cc2)C(=O)N(c2ccccc2C#N)C1=O 1862776089 AUNWWOUXUDNLBC-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE CC(C)c1ccc(NC2=C(c3ccccc3F)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862933695 BHARAISHOSBDBH-UHFFFAOYSA-N 425.463 5.217 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3c[nH]c4ccccc34)C2=O)c1 1863121455 DTAWHLDPRMCXEW-UHFFFAOYSA-N 432.483 5.053 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(C)cc2)C(=O)N(CCN(CC)CC)C1=O 1863621693 SAIIMTADHLDBTN-UHFFFAOYSA-N 441.660 5.147 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCOCC)=C(c2cc(C)ccc2C)C1=O 1863739877 BTWQXBPNOHEXIK-UHFFFAOYSA-N 442.644 5.540 30 10 IKEE Cc1oc(-c2cccc(F)c2)nc1CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1868166974 IXXLRECJKKRHMM-UHFFFAOYSA-N 446.322 6.008 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3ccccc3[C@H]2c2ccc(OC)cc2)nc(C)n1 1869292211 VIUSKDHERHGCHT-HHHXNRCGSA-N 426.564 5.124 30 10 IKEE CCCCCCCCn1cc(OCC(=O)Nc2ccccc2C(F)(F)F)c(=O)cc1C 1870085305 GKOYFLOTXACRCB-UHFFFAOYSA-N 438.490 5.554 30 10 IKEE C=CCOc1cn(Cc2ccccc2Cl)c(CNc2ccc(C(C)(C)C)cc2)cc1=O 1870810283 VUWJDERCNLMQHY-UHFFFAOYSA-N 436.983 6.024 30 10 IKEE C#CCOc1cn(CCCCCCCCCC)c(CNc2ccc(F)c(Cl)c2)cc1=O 1871006083 OMTJJRMMPJSMBN-UHFFFAOYSA-N 446.994 6.406 30 10 IKEE CCCCCCCCCCN=c1[nH]c(Nc2cc(OC)cc(OC)c2)ncc1[N+](=O)[O-] 1871309647 NTLGJGNLJPZSQJ-UHFFFAOYSA-N 431.537 5.120 30 10 IKEE CCc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCc2ccccc2)C4)cc1 1871344291 BZRMLMNFUGGTLJ-XYGWBWBKSA-N 425.528 5.568 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871375432 LFEYJMQQFXLTDM-QRVIBDJDSA-N 434.875 5.503 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OC(=O)/C=C/c4ccc(C(C)C)cc4)c3C)C2=O)c1 1871379319 AUMLCDLUQDUKNN-YJCBZZKFSA-N 438.523 6.662 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OC(=O)c4cc(Cl)ccc4Cl)cc(C)c3C2=O)c1 1871380992 HZXDRTYFTWPYJS-FBHDLOMBSA-N 439.294 6.446 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871387579 DEJKKYQYWFGIQE-HAHDFKILSA-N 432.447 5.758 30 10 IKEE O=C1/C(=C/c2ccccc2Br)Oc2cc(OCCOc3ccccc3)ccc21 1871398604 LGIDEAOQCDDMSA-HMAPJEAMSA-N 437.289 5.523 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(O[C@@H](C)C(=O)Nc3ccccc3C)ccc2C1=O 1871405839 QOJKOARCRGVZIJ-AOBKZXEFSA-N 443.499 5.416 30 10 IKEE COc1ccc(OCCCOc2ccc3c(c2C)O/C(=C\c2cccc(OC)c2)C3=O)cc1 1871415514 GHVAICGEVDGXBM-UQQQWYQISA-N 446.499 5.476 30 10 IKEE Cc1ccc(NC(=O)CCOc2cc(C)c3c(c2)O/C(=C\c2sccc2C)C3=O)cc1 1871433131 XHJAXXLHWIEOJD-STZFKDTASA-N 433.529 5.697 30 10 IKEE COc1ccccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O 1871459038 LYIGPUNQQHAMQB-UUYOSTAYSA-N 449.890 5.291 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(Cl)c(Cl)c3)n2)cc1 1872764751 XCYGVNJZRILETH-CFZDNBDDSA-N 429.328 6.015 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3cc(Cl)ccc3Cl)n2)cc1 1872768676 ZEFXSKCXEXTEIT-KRWDZBQOSA-N 431.344 5.935 30 10 IKEE Cc1cc(C)c(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccccc3C(C)C)n2)c(C)c1 1872786982 YDMVIHAQIQAYGU-PZJWPPBQSA-N 432.589 6.503 30 10 IKEE CCCCCCCSc1nc2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2[nH]1 1872823166 PTSSVSLTZMHVOO-UHFFFAOYSA-N 449.664 6.720 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC2CCCCCCC2)=C(c2ccccc2)C1=O 1873161846 SZWMPMFUNAZXIV-UHFFFAOYSA-N 438.656 6.610 30 10 IKEE C=CCN(CC=C)c1nc(Nc2cc(Cl)ccc2OC)c2cnn(-c3ccccc3)c2n1 1873481600 GKLBYRPCNKNFQC-UHFFFAOYSA-N 446.942 5.400 30 10 IKEE Sc1nnc(C2CCCCC2)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1873502533 MWFOFFIQUNGBFY-ZVHZXABRSA-N 426.973 5.729 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)c(C)c2)cc2c(NCc3ccccc3)ncnc21 1873608948 QXIGGDQDUPUUDH-UHFFFAOYSA-N 431.927 5.444 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C(C)(C)C)c2)cc2c(N3C[C@H](C)C[C@@H](C)C3)ncnc21 1873665013 CGUVDKLSZGAPGM-RTBURBONSA-N 445.611 5.649 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(OCCCC)cc2)cc2c(N(CCC)CCC)ncnc21 1873665926 PKKSYXLNTBIWJU-UHFFFAOYSA-N 449.599 5.675 30 10 IKEE Cc1cccc(OCCCc2nnc(SCc3ccccc3)n2/N=C/c2ccco2)c1 1874246022 IRAOSGPCIWWSNA-KOEQRZSOSA-N 432.549 5.366 30 10 IKEE Cc1cccc(OCCCc2nnc(SCc3ccccc3)n2/N=C/c2ccncc2)c1 1874246893 BVGBVETVAJHTDC-OVVQPSECSA-N 443.576 5.168 30 10 IKEE C=CCSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1ccc(C(C)(C)C)cc1 1874261358 QDJWPOSDEFNHCG-VULFUBBASA-N 442.535 5.593 30 10 IKEE CSc1nnc(CCc2ccccc2Cl)n1/N=C/c1c(Cl)cccc1Cl 1874275959 NTYHSJDMGXSMNZ-SSDVNMTOSA-N 425.772 5.628 30 10 IKEE CCCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1ccc(C(F)(F)F)cc1 1874296734 PSTGWZMUIXPNRE-ZMOGYAJESA-N 449.458 5.180 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3cc(C)ccc3C)n2/N=C/c2ccc[nH]2)cc1 1874303439 YSKDIBNTLCHZOD-JVWAILMASA-N 445.592 5.387 30 10 IKEE CCCOc1ccccc1/C=N/n1c(COc2cccc(C)c2C)nnc1SCCC 1874324196 CWIXRCWPUBNLSU-PCLIKHOPSA-N 438.597 5.647 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccc(C)c(C)c3)n2/N=C/c2ccccn2)c1 1874358516 LYOOKUDDVWSYPC-LQKURTRISA-N 441.604 5.672 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccccc2Cl)n1/N=C/c1cccc(F)c1 1874364670 OVEZGCQWBQFUSQ-VULFUBBASA-N 436.943 6.221 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2)n1/N=C/c1cccc(Cl)c1 1874395732 UHZAWOAQZJTSTE-CVLFLDGLSA-N 432.980 6.258 30 10 IKEE COc1cccc(/C=N/n2c(Cc3cccs3)nnc2SCc2ccc(F)cc2)c1 1874410373 QLPWLAQOIRWERC-ZVHZXABRSA-N 438.553 5.253 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C(C)(C)C)c1 1874485894 RMEXOJLQBXTMQE-MFKUBSTISA-N 443.016 6.192 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc(C(F)(F)F)cc1 1874507844 YFEWABJLWUATBA-BRJLIKDPSA-N 438.906 6.077 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1cccc(OC)c1 1874511062 IQJUTZVNDPIVIV-FSJBWODESA-N 435.380 5.721 30 10 IKEE Clc1ccc(CSc2nnc(C3CC3)n2/N=C/c2c[nH]c3ccccc23)cc1Cl 1874520084 AHHWVSBKZAYCPV-OPEKNORGSA-N 442.375 6.118 30 10 IKEE Fc1cccc(Cl)c1COc1ccc(/C=N/n2c(S)nnc2-c2ccco2)cc1 1874559884 VFVZJYBRRRBORO-FOKLQQMPSA-N 428.876 5.081 30 10 IKEE Cc1ccc(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1 1874570764 HXZRBKPRCLJFSO-LVZFUZTISA-N 447.534 6.576 30 10 IKEE O=C(/C=C/c1c(OCc2ccccc2Cl)ccc2ccccc12)c1ccc([N+](=O)[O-])cc1 1874575281 FMWWZDOMNWJWSI-CCEZHUSRSA-N 443.886 6.877 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1cccc2ccccc12)c1ccc2c(c1)OCO2 1874582873 LEMWNDWTNJZFAZ-DHZHZOJOSA-N 442.898 6.697 30 10 IKEE CCCOc1c(/C=C/C(=O)c2cc(Cl)ccc2OC)cc(Br)cc1OC 1874592052 AFCSENRDSWBDCE-FNORWQNLSA-N 439.733 5.805 30 10 IKEE CCOC(=O)c1ccc(COc2cccc(/C=C/C(=O)c3ccc(OC)c(Cl)c3)c2)o1 1874599755 BYFSAPFPTLEFRJ-JXMROGBWSA-N 440.879 5.593 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(C)c3)c(OCC)c2)cc1 1874616935 BEQIQBHSHWBVQV-OQLLNIDSSA-N 430.544 6.658 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 1874621913 BPMMFJXBBCBXKR-LICLKQGHSA-N 441.571 6.515 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc(OC)c1OCc1ccccc1 1874623824 XJEPPOJEPKWUTF-ACCUITESSA-N 432.491 6.047 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(C)c3)c(Cl)c2)c2ccccc12 1874637996 CPUKPDYXHNVUJI-JLHYYAGUSA-N 442.942 7.285 30 10 IKEE O=C(COc1cc(F)ccc1F)Oc1cccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c1 1874693778 VTIQHCBTBDGLCF-MDWZMJQESA-N 448.465 5.724 30 10 IKEE CCc1ccc(CCC(=O)Oc2cc(/C=C/C(=O)c3ccc(OC)cc3)ccc2OC)cc1 1874696645 KBQSSNOWAYOQLN-CXUHLZMHSA-N 444.527 5.701 30 10 IKEE CCOc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccccc3Cl)c2)cc1 1874697031 SAAPIMHNTJBHBF-XNTDXEJSSA-N 436.891 5.619 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cc(C)cc(C)c3)c2)cc1F 1874707005 KHSUWFUOFIYMNF-VMPITWQZSA-N 434.463 5.575 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1cccc(/C=C/C(=O)c2ccc(C(C)C)cc2)c1 1874710007 OCVPVFPTXGAKDA-SFQUDFHCSA-N 444.527 6.089 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)c(F)c2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 1875088155 OTLYEKLYKSRJKK-XBXARRHUSA-N 443.789 5.642 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1Cl 1875097231 ARRYDDURMUOIAO-XNTDXEJSSA-N 444.958 6.653 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Cl)c(OC(=O)CCCSC)c(OC)c1 1875117720 JJQDHXKDBHBDCC-ZHACJKMWSA-N 434.941 5.302 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(N(C)C)cc3)c([N+](=O)[O-])c2)c(C)c1 1875134678 FFZJIWKFBKEUEC-AWNIVKPZSA-N 444.487 5.393 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)CCOc1ccccc1 1875139992 KVKHSQFIQGMCKA-WYMLVPIESA-N 444.527 5.973 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1Cl 1875161971 PUCAZMPDHGVQBI-YCRREMRBSA-N 430.809 5.802 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1cc2ccccc2n1C 1875163265 CGYXHPIDJQDOMG-YRNVUSSQSA-N 447.437 5.580 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 1875169530 MALPFWICRSOOIY-KPKJPENVSA-N 445.471 5.644 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)[C@H](C)c2ccccc2)c(Cl)c1 1875170822 RMLVQLACNNLXJR-FMAYLGMYSA-N 448.946 6.571 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)Cc1cccs1 1875176172 ZPLDIWGBZPXWEY-VQHVLOKHSA-N 440.948 6.071 30 10 IKEE C[C@H]1CC=C(C(=O)CC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)CC1 2010600162 KKTWOYMFXNGPQO-FQEVSTJZSA-N 426.601 5.252 30 10 IKEE C=C([C@H](NC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)[Si](C)(C)C 2016681408 AUJXPGLQLBSKFN-MHZLTWQESA-N 431.652 6.539 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@]1(C)CCCN1C(=O)OC(C)(C)C 2020798616 MEDWOZRJMALTLH-YADARESESA-N 429.561 5.418 30 10 IKEE CC(C)(C)OC(=O)N1CCC(C[C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)CC1 2045577247 XUQXFEVKMKEGJR-GOSISDBHSA-N 447.551 5.497 30 10 IKEE C=C1CC(CC(=O)[C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1 2071345988 MDMIUHDXJKVLKX-MUUNZHRXSA-N 428.528 5.803 30 10 IKEE CC(C)c1nn(Cc2ccc(F)c(C(F)(F)F)c2)c(C(F)(F)F)c1Br 2079041799 YYOLDYIKIWIPDN-UHFFFAOYSA-N 433.165 5.994 30 10 IKEE CCc1ccc([C@H](n2nc(CC)c(/C=N/O)c2I)C(C)(C)C)cc1 2079050988 WWZLKPSGUOVYOR-RHLNUJDMSA-N 439.341 5.056 30 10 IKEE COc1ccc([C@@H](n2nc(C(C)C)c(C#N)c2I)C(C)(C)C)cc1 2080022213 HBONZNUTJITBAE-QGZVFWFLSA-N 437.325 5.127 30 10 IKEE Cc1ccc(Cn2nc(-c3ccccc3)c(C#N)c2Br)c(Br)c1 2080351653 GJTFCCQHRAZOSN-UHFFFAOYSA-N 431.131 5.304 30 10 IKEE N#Cc1c(C2CCCCC2)nn(Cc2cccc(I)c2)c1Cl 2080389826 KCJTZOHMFNBRSB-UHFFFAOYSA-N 425.701 5.109 30 10 IKEE Cc1ccc(NC(=O)c2cscc2OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2100092251 NRWMDRQTWJAUED-UHFFFAOYSA-N 449.381 5.187 30 10 IKEE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1C#N 2117994373 FOTGNZLJJPKJIH-TWJOJJKGSA-N 447.623 5.879 30 10 IKEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1ccc(Cl)cc1Br 2124447231 HEBRIJMBCFAPHA-OAHLLOKOSA-N 444.757 5.018 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)cc1Cl 2230371868 QUTNOHJWEJFMEN-QZTJIDSGSA-N 443.813 5.450 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)C1CCN(Cc2ccccc2)CC1 2235735887 VNMYLPLJGXQDTP-XMMPIXPASA-N 425.414 5.081 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)[C@](C)(NC(=O)OC(C)(C)C)C(C)C 2235747765 SLNPTEFJMMNUEW-SIKLNZKXSA-N 437.422 5.108 30 10 IKEE C=C1CC(C[C@@H](NCC)[C@@H](Cc2cccc(Br)c2)NC(=O)OC(C)(C)C)C1 2237403296 TUNDRRNGIDGTSI-WOJBJXKFSA-N 437.422 5.219 30 10 IKEE CC1(C)OB(c2ccc(NC(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)OC1(C)C 2241491607 UNPZEFYLETXZIZ-UHFFFAOYSA-N 442.368 5.220 30 10 IKEE C=CCCCCCCC[C@@H](O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248461785 XZEHGWCFEIUGFJ-HSZRJFAPSA-N 431.617 5.718 30 10 IKEE C=CCCC1([C@H](C[C@H](C)COCc2ccccc2)NCCC)CN(C(=O)OC(C)(C)C)C1 2254998292 DOSXOKSMFZKMPP-UPVQGACJSA-N 444.660 5.801 30 10 IKEE CCCN(Cc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(F)(F)F 2267511266 ZQZGFFSRCHDZDD-UHFFFAOYSA-N 447.306 5.057 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cccc(Cl)c1Br 2272006365 KNWSMHCHCBHIAI-SJLPKXTDSA-N 445.829 6.003 30 10 IKEE CCCCCCC[C@@H](OCCCN)c1cc(Br)c(Br)s1 2293655380 QGXCSGBGLYXKEM-CYBMUJFWSA-N 427.246 6.040 30 10 IKEE O=C1NC(=Nc2ccccc2)SC1=Cc1ccc(OC(=O)c2ccc(Cl)cc2)cc1 2297303383 CTWRELATGGZUTG-UHFFFAOYSA-N 434.904 5.451 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)C[C@@H]2CCC[C@@H]21 2298659549 YASUXWHXMPNMKS-WOLJRWFJSA-N 428.617 5.211 30 10 IKEE Cc1c(C=C2SC(=NC3CCCCC3)N(C3CCCCC3)C2=O)c2ccccc2n1C 2313564956 IJHRKCPPOUTLAB-UHFFFAOYSA-N 435.637 6.424 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2Oc3ccc(Cl)cc3C2=O)cc1 2314519353 LBALSCOQRMYEBQ-UHFFFAOYSA-N 428.875 5.818 30 10 IKEE CCCN[C@H](C#Cc1ccc(C(F)F)nc1)CN(Cc1ccccc1)C(=O)OC(C)(C)C 2317959320 ILXMAYOSHHAMJZ-OAQYLSRUSA-N 443.538 5.176 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C)n2N=Cc2ccc(C(C)(C)C)cc2)c1C 2321086132 CGCJCEBBCZINTR-UHFFFAOYSA-N 435.597 5.114 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2321345326 QCTGITFDTXSZAB-UXHICEINSA-N 447.620 5.628 30 10 IKEE Cc1cccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCc2ccc(Cl)cc2)C4)c1 2321935482 QFIDBFNQFLNIAP-UHFFFAOYSA-N 445.946 5.968 30 10 IKEE CCc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccc(OC)cc2)C4)cc1 2321955353 WQIQHDRFJKDQOR-UHFFFAOYSA-N 441.527 5.534 30 10 IKEE CCOc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN([C@@H]2CCCC[C@H]2C)C4)cc1 2322153245 QFJGVOHOLZEDLV-VGOFRKELSA-N 433.548 5.741 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccccc2Cl)c1OCc1cccc(C)c1 2322436734 KCJNSCNHSSRPRZ-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccccc2Cl)c1OCc1ccccc1F 2322436785 VPRNJXVGVOKUEE-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCc3ccccc3F)ccc3ccccc23)c(C)c1C 2322818798 JTYWVSDBXMBPRI-UHFFFAOYSA-N 440.514 7.079 30 10 IKEE Cc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(Cl)cc2Cl)C3=O)c1 2322884212 ZMVFLAJZNCYHPC-UHFFFAOYSA-N 439.294 6.446 30 10 IKEE Cc1c(OC(=O)Cc2ccc(Cl)cc2)ccc2c1OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2322900946 FYJZEQJOLLTLBN-UHFFFAOYSA-N 449.846 5.321 30 10 IKEE CC(=O)Nc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(C)c2)C3=O)c1 2322969207 RSLZURRXWIYPRJ-UHFFFAOYSA-N 427.456 5.097 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OCc3ccc(Cl)cc3Cl)c2)cc1 2323060759 ZZOKENWTPOZZRE-UHFFFAOYSA-N 441.354 7.040 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCc3cccc4ccccc34)c2)cc1F 2323201789 PYYHSTNTVVZGDJ-UHFFFAOYSA-N 442.486 6.471 30 10 IKEE Cc1c(OC(=O)c2ccc(Cl)c(Cl)c2)ccc2c1OC(=Cc1cccs1)C2=O 2323259410 BTFIQLLEVWDYOT-UHFFFAOYSA-N 431.296 6.199 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OCc3cc(C)ccc3C)c2)c(OCC)c1 2323286088 KSPGOQWEQXFHSM-UHFFFAOYSA-N 430.544 6.576 30 10 IKEE COc1cc(C=NS(=O)(=O)c2ccc(C)cc2)ccc1OCc1cccc(Cl)c1 2323459153 XPWFPBMOLWDINI-UHFFFAOYSA-N 429.925 5.044 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(OC(=O)c3cccc(OCC(C)C)c3)c2C)C1=O 2323580661 VKDPKADCOOWWJY-UHFFFAOYSA-N 448.540 6.235 30 10 IKEE Cc1cc(OC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc2c1C(=O)C(=Cc1ccccc1F)O2 2323595515 DWGYLZBPUKPHLP-UHFFFAOYSA-N 445.402 5.277 30 10 IKEE CCOc1cc(C=NNc2nc(-c3ccc(C)cc3C)cs2)cc(Br)c1O 2323840522 MUWUIGLJRDPAIK-UHFFFAOYSA-N 446.370 5.740 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3C)c([N+](=O)[O-])c2)cc1 2323900780 PXQPQSSVKDUMPL-UHFFFAOYSA-N 430.460 5.125 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(Cl)c(OCc2cccc(F)c2)c(OC)c1 2323986083 UETDOILATWWVEK-UHFFFAOYSA-N 440.898 6.280 30 10 IKEE CCc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccc(C)cc4)ccc3C2=O)cc1 2324373493 XPTVURPNTUBTNB-SFHVURJKSA-N 427.500 5.580 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2)C3=O)c1 2324455923 UNWPYFSHGPIWGK-LJQANCHMSA-N 427.500 5.634 30 10 IKEE COc1cccc(C=C2Oc3cc(OCCOc4ccc(C)cc4)ccc3C2=O)c1OC 2324537341 CVPUWWZDWZPDED-UHFFFAOYSA-N 432.472 5.086 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2ccc(OCCc3ccccc3)cc2)cc1Cl 2324589023 UPNBQSFEYDENTD-UHFFFAOYSA-N 427.327 6.520 30 10 IKEE Cc1c(OC(c2ccccc2)c2ccccc2)ccc2c1OC(=Cc1ccccc1F)C2=O 2325216351 NDCVQRMBSDDYOA-UHFFFAOYSA-N 436.482 6.919 30 10 IKEE CCCCOc1ccc(C=Nn2c(C)nnc2SCc2cccc(C)c2)cc1OCC 2325621770 MXJFVPRGNUPPSV-UHFFFAOYSA-N 438.597 5.647 30 10 IKEE Cc1c(OCCN2CCCCC2)ccc2c1OC(=Cc1ccccc1Br)C2=O 2325701616 CBWWRXVPDPCZCH-UHFFFAOYSA-N 442.353 5.238 30 10 IKEE CCCOc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(CC)cc3)c2)cc1 2325705522 VRAYKAVPFLAMKU-UHFFFAOYSA-N 428.528 6.082 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(F)cc2)ccc2c1OC(=Cc1ccc(Cl)cc1)C2=O 2325728395 QQIZJZNJUWRTRT-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2)cc1OC(=O)[C@@H](C)Oc1ccc(C(C)C)cc1 2325731294 ZPQPDYYWPACFBL-HXUWFJFHSA-N 444.527 6.088 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3cc(C)ccc3C)c2)cc1 2325733477 XRJLNDXZNNFIIZ-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OC(=O)c1ccc2c(c1)OCO2 2325740087 QDXQKCDANBFNLO-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2Cl)C3=O)c1 2325740549 CVMKNYPVRJRKJS-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE Cc1ccc2oc(=O)cc(COc3cc(C)c4c(c3)OC(=Cc3cccc(F)c3)C4=O)c2c1 2325741570 PVVPLPUBCYZMSJ-UHFFFAOYSA-N 442.442 5.744 30 10 IKEE Cc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)c2)c(C)c1 2325746353 GOPZGEUBWWOPSW-UHFFFAOYSA-N 442.555 6.481 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(C)c(C)c3)c2)cc1C 2325770561 YRNGQQJMEOUAOH-UHFFFAOYSA-N 444.527 6.053 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(OC(C)C)cc1 2326359058 HHYFSXKZPXPFFQ-UHFFFAOYSA-N 443.016 6.236 30 10 IKEE CCOc1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2Cl)cc1OC 2326692750 STDKMXAAMDQVEJ-UHFFFAOYSA-N 437.352 5.167 30 10 IKEE CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccc(OC(C)(C)C)cc1 2326821110 TVAFCEULTYCNHZ-UHFFFAOYSA-N 439.541 5.101 30 10 IKEE Fc1cccc(CSc2nnc(COc3cc(F)ccc3F)n2N=Cc2ccco2)c1 2327441417 SJEOIBVBCYPYAC-UHFFFAOYSA-N 444.438 5.042 30 10 IKEE OCCCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1cccc(Cl)c1 2327785548 FILOYNVSEDHMHK-UHFFFAOYSA-N 436.968 5.032 30 10 IKEE CCCCC1CCC(c2nnc(SCC)n2N=Cc2ccccc2OC(C)C)CC1 2328147380 WLJMNVMJRRNSDZ-UHFFFAOYSA-N 428.646 6.524 30 10 IKEE C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1CC(=Cc1cccc(Br)c1)C2=O 2328654299 OMJIZRMQBBHMOY-RZQCXYSXSA-N 441.453 7.444 30 10 IKEE Cc1ccc(CSc2nnc([C@H](C)c3ccccc3)n2N=Cc2ccc(O)c(O)c2)cc1 2330050873 PNQXANHEOGFERK-GOSISDBHSA-N 444.560 5.324 30 10 IKEE C=C(C)CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1cccc(OC)c1OCC 2330104876 HUEZAYLQRQOZLZ-SFHVURJKSA-N 436.581 5.388 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)CC(C)(C)C 2330821190 WQYUUZVHAJZTMP-UHFFFAOYSA-N 435.347 6.630 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccccc1O 2330874287 LHNZRSAPSXYPHA-UHFFFAOYSA-N 449.407 6.054 30 10 IKEE Clc1ccc(C=Nn2c(SCc3ccccc3)nnc2[C@@H]2CCCO2)c(Cl)c1 2330959169 QVBUSSMBTBGEOX-SFHVURJKSA-N 433.364 5.611 30 10 IKEE Fc1cccc(Cl)c1C=Nn1c(SCCc2ccccc2)nnc1[C@@H]1CCCO1 2330969967 AMWLWGUTUPEMNH-IBGZPJMESA-N 430.936 5.139 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(OC)c(OC(=O)CCc2ccccc2)c(OC)c1 2331056808 HEMFZNWXYARZQP-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OC(=O)Cc1ccc(C)cc1 2331100829 NSWFJVIXFPZNHZ-UHFFFAOYSA-N 436.454 5.716 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2C(F)(F)F)cc1 2331123916 NHTDMVQOEMMNKR-UHFFFAOYSA-N 436.478 5.908 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(F)c2)ccc1OC(=O)c1cccc(F)c1 2331464049 UDFWEXINXCTQNS-UHFFFAOYSA-N 438.426 5.487 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3sccc3C)c(OC)c2)cc1F 2331468232 MNAQDHKMIAAPNY-UHFFFAOYSA-N 426.465 5.328 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccccn2)c(Cl)c1 2331548595 IZIGNCXGWVOZJR-UHFFFAOYSA-N 449.934 6.156 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)c1ccc(F)cc1 2331552994 BOZDHKVYFWNFBZ-UHFFFAOYSA-N 446.808 5.881 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)C(C)C)c([N+](=O)[O-])c1 2331637041 RDFZRVCFRAGGON-UHFFFAOYSA-N 438.263 5.368 30 10 IKEE CCCC(=O)Oc1ccc(C=CC(=O)c2cc(OC)c(Cl)cc2OC)cc1OCC 2331692842 TXJFVWCKZAMJJG-UHFFFAOYSA-N 432.900 5.358 30 10 IKEE CC1(C)OB(c2ccc(Nc3cccc(OCc4ccccc4)c3)c(C#N)c2)OC1(C)C 2339306694 UKACULJHVDBBCJ-UHFFFAOYSA-N 426.325 5.180 30 10 IKEE CC1(C)OB(c2ccc(CSc3ccc(Cl)cc3)cc2Br)OC1(C)C 2349828723 GKAKYYOJQGKEST-UHFFFAOYSA-N 439.611 5.694 30 10 IKEE OCC#Cc1ccc(CN(Cc2ccccc2)Cc2cccs2)cc1Br 2349863706 AUQLOPPYOMJJDW-UHFFFAOYSA-N 426.379 5.057 30 10 IKEE CC[C@H](NCc1ccc(Br)s1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363836782 QTWUYQBLGGUCJU-KRWDZBQOSA-N 436.224 5.051 30 10 IKEE CC[C@@H](NCc1ccc(Br)s1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363836783 QTWUYQBLGGUCJU-QGZVFWFLSA-N 436.224 5.051 30 10 IKEE CCOc1ccc2c(c1)O/C(=C\c1cccc(OCC)c1OC(=O)c1ccc(F)cc1)C2=O 8823921 PRBYUPOWWCWDFU-UCQKPKSFSA-N 448.446 5.459 30 10 IKEE CCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)c(Cl)c1 9861339 YWXRZJRAAOSIAX-QHCPKHFHSA-N 429.347 6.300 30 10 IKEE C=C(C)CN1C(=O)[C@H](C)Oc2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc21 12167995 OLUOVNOPXLXJGW-IBGZPJMESA-N 426.516 5.147 30 10 IKEE Cc1cc(C)nc(N/C(=N/C(=O)Nc2cccc(Cl)c2)NCc2ccc(Cl)cc2)n1 14156777 YBMWEZGLJWTBJM-UHFFFAOYSA-N 443.338 5.190 30 10 IKEE CC/C(=N/Nc1nc(SCCC(=O)Nc2cccc3ccccc23)n[nH]1)c1ccccc1 21081698 WCHJTRMYHGMFRP-OOAXWGSJSA-N 444.564 5.305 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(CC)cc2)cc1 21234011 GRSFCMFKCAVMOE-ZTOMLWHTSA-N 438.571 6.627 30 10 IKEE CCC(C)(C)[C@@H]1CCc2sc3ncnc(N/N=C\c4cccc5ccccc45)c3c2C1 27527945 XGARXZOHWZUNPN-NFBCLFKXSA-N 428.605 6.832 30 10 IKEE CC(C)c1ccc(/C=C\C(=O)c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 34738329 HRXWNCLWJRTBKL-BNCCVWRVSA-N 440.948 6.127 30 10 IKEE O=C(/C=C\c1cccc(OC(=O)c2cccc([N+](=O)[O-])c2)c1)c1ccc(-c2ccccc2)cc1 34955632 QOVYUQLDHNPUBO-ATVHPVEESA-N 449.462 6.377 30 10 IKEE C=CCN1C(=O)/C(=C\c2cc(Cl)ccc2OCc2ccccc2Cl)SC1=S 38199817 UYMAFEQIEITCKE-WOJGMQOQSA-N 436.385 5.960 30 10 IKEE Cc1nnc(/N=C2/S/C(=C\c3c(F)cccc3Cl)C(=O)N2C2CCCCC2)s1 39866586 VSGDEZJHQZUXCR-QPRIWKSWSA-N 436.965 5.576 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(-c4ccccc4)cc1)C3=O)CN(CC(C)C)CO2 41588698 RGUFYHBVXGUPLT-MXAYSNPKSA-N 425.528 6.086 30 10 IKEE C[C@H](N/C(=N\OC(=O)Nc1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccccc1 59505470 BYPPIKLWINPRGT-HNNXBMFYSA-N 428.319 6.255 30 10 IKEE O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1c(Cl)cccc1Cl)c1c(O)n[nH]c1N2 98036583 ODBVGGMSUOTQOO-XLFHBGCDSA-N 432.332 5.442 30 10 IKEE CCCCCCCC(=O)NC(=S)Nc1ccccc1C(=O)Nc1ccc(OCC)cc1 100170784 RUKBDYUVGBPCKI-UHFFFAOYSA-N 441.597 5.511 30 10 IKEE CCCCc1ccc(NC2=C/C(=N\S(=O)(=O)c3ccccc3)c3ccccc3C2=O)cc1 103746067 JKFBAZQYICBKLL-ZZIIXHQDSA-N 444.556 5.400 30 10 IKEE CN(C)c1ccc(/C=C/C=N/N=C2\CC[C@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@]23C)cc1 118919624 KJCIEPRMJJUJPF-RYEYCWGOSA-N 445.695 7.625 30 10 IKEE CCCCOc1ccc(/C=N\n2c(COc3ccccc3)nnc2SC)cc1OCC 169916424 DWUZTNNETMTVHW-JLPGSUDCSA-N 440.569 5.039 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccc(OC)c2)cc1 169934793 CWOYXQMGNFKQBU-XMMPIXPASA-N 443.499 5.185 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@H]2c2cccnc2)ccc1F 170009467 TXCSZBQRLVSEAE-NRFANRHFSA-N 436.870 5.274 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccccc2C)cc1 170029881 NYDJUMBNIFOEQB-RUZDIDTESA-N 441.527 5.793 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@@H]2c2ccccc2)cc1C 170049250 JAWBQNFYRXJCDB-RUZDIDTESA-N 439.555 6.384 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc(Cl)cc1 170057617 RJBCHWPPSLMRME-HSZRJFAPSA-N 435.882 5.581 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1cccc(C)c1 170141606 SUKGDYCHQQRRBV-QHCPKHFHSA-N 427.500 5.403 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cccc(C)c1 170148396 JGBOLYFUSAHCFI-OAQYLSRUSA-N 425.912 5.178 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(C)c2)cc1C(C)C 170148538 PCTXNTUDDNMEED-DEOSSOPVSA-N 433.548 5.648 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@@H]1c1cccs1 170161035 OTXVJAQYLXKJGE-OAQYLSRUSA-N 444.512 5.028 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccs2)c1 170166492 JVRPRGPJKBZNII-OAQYLSRUSA-N 425.550 5.304 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccccn2)c1 170170185 LKUSQTHEXUQHIT-RUZDIDTESA-N 434.495 5.635 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@@H]1c1cccnc1 170187352 CAJLWEIEEGGNDB-HSZRJFAPSA-N 442.515 5.107 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@H]1c1ccc(OCC)cc1 170213638 UBOXHPFKCNXWOL-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cccc(OCC(C)C)c1 170218992 QGUVLFOJPPQRDY-VWLOTQADSA-N 447.575 5.589 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2)cc1Cl 170231431 UQOBKPNKOFSUMH-OAQYLSRUSA-N 425.912 5.260 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2C2CCCCC2)cc1 170266703 UZAGGCGNXIWFNI-DEOSSOPVSA-N 433.548 5.477 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccco2)cc1 170281131 RPOOTAWRKWWABA-FYSMJZIKSA-N 443.499 5.509 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccco1 170286708 RXMHYZBAJRWSSC-QFIPXVFZSA-N 449.934 6.322 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@@H]1c1ccco1 170287848 YCYIGASFQWHLFZ-QHCPKHFHSA-N 447.487 5.106 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccco2)ccc1Cl 170289254 YEHYOSYHVGKTDD-NRFANRHFSA-N 437.879 5.341 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccco1 170290155 VZNDDQVATQUDNW-HSZRJFAPSA-N 431.488 5.406 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(C)o2)cc1 170301434 HLIWDAGSVAPSOK-HSZRJFAPSA-N 447.487 5.168 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2cccc(Cl)c2)o1 170303641 PSVRHFWKRHRZEY-QGZVFWFLSA-N 428.897 5.098 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C)o2)cc1C(C)C 170306917 CTVHXKRAMATRKW-HSZRJFAPSA-N 449.503 5.482 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)cc(Cl)c2OC)[C@H]1c1ccc(C)o1 170309259 VHOWNXHYXZALSX-QGZVFWFLSA-N 438.307 5.282 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 170342165 YOQNIOUCNOZVEA-HSZRJFAPSA-N 446.572 5.686 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1c1ccc(Cl)c(Cl)c1 170397487 HEAUJNRJJJQZDL-LJQANCHMSA-N 444.339 6.146 30 10 IKEE Cc1cccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(C(=O)OC(C)C)cc2)c1 170459993 HVPWRIPNBIWEFC-NRFANRHFSA-N 435.520 5.075 30 10 IKEE CCCC(=O)Nc1ccc(C#Cc2ccc(C#Cc3cc4ccccc4s3)s2)cc1 248137663 AQGXKZVTMQFCBI-UHFFFAOYSA-N 425.578 6.501 30 10 IKEE Cc1cccc2c1[nH]c1nc(NN=Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nnc12 252615436 JSGSQNUPGXUIHP-UHFFFAOYSA-N 430.556 5.561 30 10 IKEE Cc1cccc(N=C2S/C(=C3/Sc4ccccc4N3C)C(=O)N2c2cccc(C)c2)c1 254398851 MNLZCVCLBDWVQU-CJKMRZRNSA-N 443.597 6.482 30 10 IKEE CCOc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)C2=Nc1ccc(Oc2ccccc2)cc1 254700424 RXJSTNSLRSRQDM-SFHVURJKSA-N 440.543 6.631 30 10 IKEE CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNc2ocnc2C#N)cc1 254791746 NSDLJBYSUFIGNZ-UHFFFAOYSA-N 440.507 5.270 30 10 IKEE C=C(CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O)[C@@H](C)[C@H]1CC3)C(C)C 257484576 MMNYKQIDRZNIKT-PGYMSMMJSA-N 426.729 8.335 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(SCc3ccco3)C2=O)cc1Cl 526668144 QCMWRHFHUOAWOI-UHFFFAOYSA-N 449.919 5.243 30 10 IKEE CCCc1nnc(SCc2ccccc2)n1/N=C\c1ccc(OCc2ccccc2)cc1 526799986 TVFWBLQPGWAQOL-IMRQLAEWSA-N 442.588 5.984 30 10 IKEE Cc1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1C 586241806 SOGDYFXKJDWWOT-UHFFFAOYSA-N 445.371 5.877 30 10 IKEE CCCCCCCCc1ccc(C(=O)C[C@H](Nc2ccc([N+](=O)[O-])cc2O)C(=O)O)cc1 606657264 ZACIKYALVCMSMK-NRFANRHFSA-N 442.512 5.342 30 10 IKEE CCCCCCC[C@@H](NCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 693653629 IDWKQIWOVUCHGG-ZEQKJWHPSA-N 431.665 5.494 30 10 IKEE CC(C)[C@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)CC1 698481036 CWKOHQVBSJFIEA-HTAPYJJXSA-N 435.406 6.689 30 10 IKEE Cc1cc(Br)ccc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 698987110 HBHWATOFOLTLLS-GOSISDBHSA-N 435.749 6.417 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)cc(Br)cc1F 701864890 VGSHYLIBDZKESK-FUHWJXTLSA-N 447.364 5.628 30 10 IKEE CCCCCCCCC[C@H](NCC)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 707888018 ZARDKZXSOOQKKK-VJTSUQJLSA-N 448.692 6.604 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@]1(C#N)CCCN(Cc2ccccc2)C1 710785099 LGXQZSZEHBWPSQ-DEOSSOPVSA-N 425.960 5.640 30 10 IKEE C=CCC1([C@H](Cc2ccc(Br)cc2)NCCC)CN(C(=O)OC(C)(C)C)C1 722910140 OZESEAIFIIVOIY-IBGZPJMESA-N 437.422 5.173 30 10 IKEE CC(C)(C)c1nn(Cc2ccccc2)cc1/C=C\C(=O)c1ccc(C(F)(F)F)nc1O 763291252 YVIFNOPAODLBIR-LUAWRHEFSA-N 429.442 5.244 30 10 IKEE Cc1cc2c(cc1OC(=O)Nc1ccccc1)CCCC2=NOC(=O)Nc1ccccc1 1084456330 YOJKZQDMMOGWKL-UHFFFAOYSA-N 429.476 5.895 30 10 IKEE COc1cccc(C=Nc2cccc3c(N=Cc4cccc(OC)c4O)cccc23)c1O 1084511539 TYKYDUMGSIOWBT-UHFFFAOYSA-N 426.472 5.769 30 10 IKEE Cc1cccc(N=C2S/C(=C/c3cccc(OCc4ccc(Cl)cc4)c3)C(=O)N2C)n1 1772732177 VCXOGRNIRRKJOE-RWYGKYMDSA-N 449.963 5.856 30 10 IKEE Cc1csc(N=C2S/C(=C/c3cn(C)c4ccccc34)C(=O)N2C2CCCCC2)n1 1772735163 FZOXDZJNYHOLIN-HHZJYHKJSA-N 436.606 5.880 30 10 IKEE Cc1c(C(=O)Oc2cccnc2)oc2c1C(=NNc1cccc(C(F)(F)F)c1)CCC2 1772750532 CQZDMWHIHXPELD-UHFFFAOYSA-N 429.398 5.374 30 10 IKEE CC[C@H](Oc1ccccc1/C=C1\SC(=Nc2ccc(C)cc2O)N(CC)C1=O)C(C)=O 1772762174 BTMPEGZVTWFTBJ-UNQCLYRJSA-N 438.549 5.071 30 10 IKEE Cc1ccc(-n2cc(/C=N\NC(=S)Nc3ccccc3)c(-c3ccc(F)cc3)n2)cc1 1857812167 XBVMPSFRTJLCAK-YSMPRRRNSA-N 429.524 5.307 30 10 IKEE CCCCCCCCNC(=O)c1oc2cc(OC)ccc2c(=O)c1-c1ccc(Cl)cc1 1859779043 ZZUDUFCBERUSFM-UHFFFAOYSA-N 441.955 6.212 30 10 IKEE N#Cc1cccc(C(=O)Nc2cc(NC(=O)c3cc(Cl)cc(Cl)c3)ccc2Cl)c1 1860460926 WIVDTYKYDDKOAZ-UHFFFAOYSA-N 444.705 6.023 30 10 IKEE CCCOc1ccc(/C=C/C(=O)C(=O)NC(c2ccccc2)c2ccccc2)cc1OCC 1860735473 UZGGPMZHLLRFFN-BMRADRMJSA-N 443.543 5.362 30 10 IKEE CCCCc1cc(C(=O)Nc2ccccc2C#N)nn1Cc1ccc(Cl)c(Cl)c1 1862331012 NPXUNFOHFOOTLZ-UHFFFAOYSA-N 427.335 5.705 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccccc1 1862455664 ACLJBVGEFTYDMV-GIWSNZPPSA-N 429.438 5.261 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 1862476775 ODLUUOPUISUMHD-UZUQRXQVSA-N 431.919 5.988 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1862483649 CJERBPLKMHOIBG-HXUWFJFHSA-N 442.899 5.181 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@H]2c2ccccc2C)ccc1F 1862506723 AGAPYDRAZBTLJO-QHCPKHFHSA-N 449.909 5.874 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2cccc(OC)c2)cc1 1862529542 HOJKLLZXJVNHTF-DEOSSOPVSA-N 445.490 5.175 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2cccc(F)c2)cc1 1862530778 XWPKLBORTUVHKN-DEOSSOPVSA-N 429.491 5.209 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2c(F)cccc2Cl)cc1 1862530908 AOVHPTNTHZTBCX-NRFANRHFSA-N 439.870 5.413 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cccc(C)c1 1862543185 AFSLYLMFCNZYDW-VWLOTQADSA-N 431.576 6.032 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccccc2)cc1OC 1862576274 QREAMUKQGBPAOW-HSZRJFAPSA-N 435.520 5.005 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccccc2)cc1OC 1862576385 SWTBYXMNTMNEIW-XMMPIXPASA-N 449.547 5.395 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2cc(Cl)cc(Cl)c2)cc1 1862623880 RFZFQUWPEBWZSS-FQEVSTJZSA-N 444.358 6.032 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccccc2)cc1F 1862637254 WBDONZSPJVZRFS-HJPURHCSSA-N 431.463 5.174 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1ccc(C(C)C)cc1 1862640254 MJKXWKKKQSRQSG-OYHNWAKOSA-N 425.500 5.335 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCCC)cc1 1862667717 IQXLWDFFSLNYSQ-VWLOTQADSA-N 449.591 6.367 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862678881 WJZWSBXQBGDCDN-XMMPIXPASA-N 449.566 6.424 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(O)c(OCC)c1 1862682598 QDCCISABXDHBEH-JOCHJYFZSA-N 441.499 5.089 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc(Cl)cc2Cl)cc1 1862690007 FGIMQAUSSDJBRU-HXUWFJFHSA-N 448.346 5.626 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(C(C)C)cc1 1862714265 IACRWWLQMXGGQJ-IQGLISFBSA-N 427.544 6.340 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(C(C)(C)C)cc1 1862720272 USMNUTMIZQZIIN-RUZDIDTESA-N 441.571 6.372 30 10 IKEE Cc1ccc(C2=C(Nc3cc(Cl)ccc3C)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862897487 PYXBZAJABOXMGM-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE Cc1cc(NC2=C(c3cccs3)C(=O)N(c3cccc(C#N)c3)C2=O)ccc1C(C)C 1863113008 LWDQYJOQKGRAJN-UHFFFAOYSA-N 427.529 5.448 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCOC(C)C)=C(c2ccc(C)c(C)c2)C1=O 1863606924 QBHLUCLAAHSESA-UHFFFAOYSA-N 442.644 5.539 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccc(F)cc2)=C(c2ccc(OC)cc2)C1=O 1863671366 OYOZAXMRQRQJOZ-UHFFFAOYSA-N 438.543 5.065 30 10 IKEE CC(C)c1nc(Nc2ccccc2C#N)cc(N2CCC[C@@H]2c2nc3ccccc3s2)n1 1868237905 GYQJQFVOWBDGLF-HXUWFJFHSA-N 440.576 6.166 30 10 IKEE CCCCCCCCn1cc(OCc2cccc(Cl)c2)c(=O)cc1CSCCO 1870251233 MYESRJKNUKEBKN-UHFFFAOYSA-N 438.033 5.667 30 10 IKEE CCCCCCCCn1cc(OCc2cccc3ccccc23)c(=O)cc1CN1CC(O)C1 1870487510 FNVHTWZUYCGEPZ-UHFFFAOYSA-N 448.607 5.118 30 10 IKEE C=CCOc1cn(CCCCCCCC)c(CNc2ccc(N(CC)CC)cc2)cc1=O 1870811964 LIHDYEFKKIZBJB-UHFFFAOYSA-N 439.644 6.232 30 10 IKEE C=CCn1cc(OCc2cccc3ccccc23)c(=O)cc1CNc1cccc(OC)c1 1870918897 VYDPGLVSXCTMOD-UHFFFAOYSA-N 426.516 5.387 30 10 IKEE C#CCOc1cn(CCC)c(CNc2ccc(OCc3ccc(Cl)cc3)cc2)cc1=O 1871005250 XCJWOMIPIRLKBA-UHFFFAOYSA-N 436.939 5.115 30 10 IKEE CCOc1ccc(OCC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871367088 XMSDJXOXXMKTHY-QRVIBDJDSA-N 448.446 5.133 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1 1871371230 LDJQNPQOQFUVBE-QFEZKATASA-N 428.484 5.719 30 10 IKEE CCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 1871379949 OKVVSLYOUPMFKR-DHLMYGRGSA-N 430.431 5.459 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc(OCC(C)C)cc3)ccc2C1=O 1871383679 QORRWMGENZGSLN-QFEZKATASA-N 428.484 5.865 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2sccc2C)C3=O)c(C)c1 1871410833 IIPOLQDICYNRTE-RIWZNOJBSA-N 433.529 5.696 30 10 IKEE COc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4cc(C)ccc4C)ccc3C2=O)cc1 1871411493 HYMKACMJDJRYCT-BDFPJNNISA-N 443.499 5.334 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(Oc3ccccc3)cc2)[nH]c(N(C)C)n1 1871510237 GHXLOHHHRWURPX-UHFFFAOYSA-N 434.588 5.668 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(C(C)C)cc1)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1871851398 NEYCVVRZGSGUGE-RDPSFJRHSA-N 442.625 5.430 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1ccccc1 1872220226 WIGQZSUFIFRGFK-HSZRJFAPSA-N 442.625 5.358 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1cc(C)ccc1C 1872613699 SVEUJWPCNZPVGF-JOCHJYFZSA-N 438.678 5.253 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)n2)cc1 1872765720 VNUCWHVFYPWXAM-LJQANCHMSA-N 448.548 5.617 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)[C@@H](C#N)c1nc(-c2c[nH]c3ccccc23)cs1 1872777339 LIIDBJTVYJVILS-GFCCVEGCSA-N 442.327 6.097 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccncc2)=C(c2ccccc2C)C1=O 1873099917 DHLGAADADSAYIH-UHFFFAOYSA-N 433.596 5.400 30 10 IKEE Cc1ccccc1CSc1nncn1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1873501678 IUWYDVABLOSJMQ-MZJWZYIUSA-N 448.979 5.993 30 10 IKEE CCOc1ccc(-c2nc(C3=C(N)N(c4cc(Cl)ccc4C)CC3=O)sc2C)cc1 1873529889 PGBYWEGAQRZYDA-UHFFFAOYSA-N 439.968 5.196 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccccc1C 1874216002 KCVTVLHXNGSZIE-MFKUBSTISA-N 441.000 5.802 30 10 IKEE CCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc(C(C)C)cc1 1874231770 AGBZQIYLDSQAAC-OVVQPSECSA-N 428.605 6.334 30 10 IKEE CCCSc1nnc(Cc2ccc(OC)c(OC)c2)n1/N=C/c1ccc(C(C)C)cc1 1874239192 UTMJEGNUPZBKMR-PCLIKHOPSA-N 438.597 5.394 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccc(Cl)cc3)n2/N=C/c2ccncc2)c1 1874263804 RCUJTWAOVMGPQX-VULFUBBASA-N 449.967 5.388 30 10 IKEE COc1ccccc1CCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1ccco1 1874314154 FQRGIAKMYBUEAX-WGOQTCKBSA-N 446.576 5.456 30 10 IKEE Clc1ccc(CSc2nnc(CCOc3ccccc3)n2/N=C/c2ccco2)cc1 1874347453 OTEYVWDLNTVEMD-BUVRLJJBSA-N 438.940 5.321 30 10 IKEE CCCSc1nnc(CCc2ccccc2C)n1/N=C/c1cccc(Br)c1 1874361902 CJFGMORJRHUCNT-HZHRSRAPSA-N 443.414 5.519 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3)n2/N=C/c2ccc(Cl)cc2)c1 1874402400 XWQFYHUYKSDIEZ-WPWMEQJKSA-N 447.007 6.200 30 10 IKEE CCCSc1nnc(Cc2cccs2)n1/N=C/c1cc(Br)ccc1F 1874413953 UFZIIHWYKNOHPJ-RGVLZGJSSA-N 439.379 5.216 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2-c2ccccc2)c1 1874425354 DMFXSZMPBRWQFB-OVVQPSECSA-N 442.588 6.217 30 10 IKEE Cc1ccccc1/C=N/n1c(CC(C)(C)C)nnc1SCc1ccc(Cl)c(Cl)c1 1874440446 BABPIJJEYNWEDZ-DHRITJCHSA-N 447.435 6.656 30 10 IKEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1cccc(Cl)c1 1874476962 BVKWYIGJMZYJJT-LPYMAVHISA-N 429.933 5.357 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(Cl)cc1 1874479192 NMPWUKIHEXRJIM-WGOQTCKBSA-N 434.996 6.602 30 10 IKEE CC(C)(C)c1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1cccc(F)c1 1874485013 ZLPSMIXFPRXTQD-BHGWPJFGSA-N 437.371 6.196 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1c[nH]c2ccccc12 1874511414 XGENMDPKGRACPF-BRJLIKDPSA-N 444.391 6.193 30 10 IKEE Cc1ccc(CCc2nnc(S)n2/N=C/c2cccc(Oc3ccccc3)c2)cc1C 1874564478 GRAWCGZAJRDMPP-YZSQISJMSA-N 428.561 5.643 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccccc1OCc1ccccc1C 1874586473 PADUUICTYNEWGB-VAWYXSNFSA-N 427.327 6.786 30 10 IKEE Cc1ccc(NC(=O)COc2cccc(/C=C/C(=O)c3ccc(C(C)C)cc3)c2)cc1C 1874597831 HCNCHUTZUYMVDE-OQLLNIDSSA-N 427.544 6.340 30 10 IKEE CCOc1c(Br)cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1OC 1874601669 WPSCTAWCLZBCNW-NTEUORMPSA-N 437.333 6.420 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccc(-c2ccccc2)cc1 1874601676 WTWWGJKLCARHCI-PXLXIMEGSA-N 440.542 7.982 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1 1874606587 WBGKAVOTPXXFSL-SFQUDFHCSA-N 439.382 7.811 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3nc(O)c4ccccc4n3)c(Cl)c2)cc1 1874609382 ODLQYNGHAILPNM-WUXMJOGZSA-N 446.890 5.473 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(OC)c1OCc1ccc(C)cc1 1874621643 NBGVQYSVZBTJRY-ZRDIBKRKSA-N 442.511 5.936 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3cccc(C)c3)c(OC)c2)cc1F 1874621861 YSTMXLGCQGBMLY-CSKARUKUSA-N 436.479 5.635 30 10 IKEE CCN(CC)C(=O)COc1c(OC)cc(/C=C/C(=O)c2cccc3ccccc23)cc1OC 1874623429 CEFLZQHEZNWBDD-CCEZHUSRSA-N 447.531 5.000 30 10 IKEE COC(=O)COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1Br 1874635232 IIPGWZIEPPTYHN-JXMROGBWSA-N 445.353 5.503 30 10 IKEE COc1cccc(C(=O)/C=C/c2cccc(OC(=O)CCCOc3ccc(C)cc3)c2)c1 1874695373 XWUWEXLLTMNLNK-DTQAZKPQSA-N 430.500 5.664 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)C(c2ccccc2)c2ccccc2)c1)c1ccc(F)cc1 1874708537 HVUBSWWCHTZGGD-XMHGGMMESA-N 436.482 6.459 30 10 IKEE CCOc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c(C)c3C)c2)cc1 1874711944 LRKXYIMHTUOXFG-RVDMUPIBSA-N 444.527 5.755 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cccc(OC(=O)C23CC4CC(CC(C4)C2)C3)c1 1874713407 UYKYJZMFUFZQJY-BQYQJAHWSA-N 444.571 6.330 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OC(=O)COc1ccc(C)c(C)c1 1874713823 PCGSQRQPBBJDRC-XYOKQWHBSA-N 444.527 5.809 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3ccc(F)cc3)c(OC)c2)cc1 1875099917 FMUWATGFZAGPAF-VGOFMYFVSA-N 434.463 5.521 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)ccc1OC(=O)c1cccc(OC)c1 1875103352 VNZFHFBAYDOFQU-RVDMUPIBSA-N 430.500 5.772 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3cccc(C)c3)c(OC)c2)cc1 1875103686 KXZNAXDKCMPZJL-JLHYYAGUSA-N 434.919 6.335 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)c1cncc(C)c1 1875121338 LFBYCQURIGCGCK-BQYQJAHWSA-N 437.879 5.176 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)c3ccccc3)c(OCC)c2)cc1 1875130310 FSNKLSOXFSZJOT-KDMTZKAISA-N 444.527 6.089 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3)c([N+](=O)[O-])c2)c(C)c1 1875183245 QZJINFFWYOBSPI-PKNBQFBNSA-N 429.472 5.564 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2ccc(F)cc2F)cc1 1875184593 HPUOYMHFLSBPER-RIYZIHGNSA-N 448.509 6.615 30 10 IKEE C#CCCC[C@H](NCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875649695 JTFUTVSZXHABOK-LITSAYRRSA-N 443.587 5.660 30 10 IKEE N#Cc1ccnc(OC[C@H]2CCCN(C(=O)CCc3c4ccccc4cc4ccccc34)C2)c1 1891821199 QYXMHGVMNWUQGM-QFIPXVFZSA-N 449.554 5.510 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1cc(NC(=O)OC(C)(C)C)ccc1F 1922080315 MZMTWYWYVKHWCI-HSZRJFAPSA-N 428.548 5.986 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]12CCCN(C(=O)OC(C)(C)C)C[C@H]1C2 1922108346 SWGPOFXYJGSMIO-MVERNJQCSA-N 428.617 5.165 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1N(C(=O)OC(C)(C)C)CCSC1(C)C 2018257733 BBLMFDFDZOPLBL-YADHBBJMSA-N 448.673 5.259 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@H](NC(=O)OC(C)(C)C)C(C)C)c1 2028026483 CYEHSSMVLLPNMF-NTKDMRAZSA-N 447.576 5.268 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2ccccc2NC(=O)OC(C)(C)C)cc1 2031833334 BADFWXXTJIVUBI-OAQYLSRUSA-N 437.540 6.348 30 10 IKEE CCN[C@@H](CC#CC(C)(C)C)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2041902428 IYEFSZAQGQKWEK-HOFKKMOUSA-N 442.644 5.248 30 10 IKEE C=CC1(Oc2cc(Br)c(Cl)cc2N)CCN(C(=O)OC(C)(C)C)CC1 2078215007 HTXNKXBDOUMLDR-UHFFFAOYSA-N 431.758 5.019 30 10 IKEE Cc1c(Cl)cc(CN2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)cc1Br 2111258968 MWDRKFMLVOYUAU-UHFFFAOYSA-N 426.591 5.174 30 10 IKEE CCCCCCCC[C@H](NC)[C@@H](O)c1cc(Br)c(Br)s1 2148586347 IHODAVGJJZDEEG-GXTWGEPZSA-N 427.246 5.645 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCCN(C(C)(C)C)C1 2158640851 PRFPCUOEOVRMCJ-OAQYLSRUSA-N 436.394 5.347 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1ccc(-c2ccc(Br)cc2)o1 2164104040 FEDNWVLNYJLQCZ-QHCPKHFHSA-N 426.354 6.133 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2ccc(C#N)c(F)c2)ccc1Br 2181056601 VTUPWIXBQMCBMA-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE C=C(COCc1ccccc1)[C@H](CCCC1CCN(C(=O)OC(C)(C)C)CC1)NCC 2248087208 RMTDFVPTTMFLKH-DEOSSOPVSA-N 430.633 5.555 30 10 IKEE CC(C)[C@H](C)N(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2255769350 LABDRUFLJKLQQZ-SFHVURJKSA-N 441.808 5.326 30 10 IKEE CN[C@H](CC#CC1CCCC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2274114607 ZLKBBKXNKPEQES-MUUNZHRXSA-N 439.599 6.689 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@@H](N)C#Cc2ccc(Br)cc2)cc1Cl 2278792681 DDXGYCJCGCOCIP-KRWDZBQOSA-N 435.749 5.501 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)N(c4ccccc4)c4ccccc4)ccc3C2=O)c1 2296595264 HBHLUIVDDYORAY-UHFFFAOYSA-N 447.490 6.948 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1ccc(C(=O)C=Cc2c(F)cccc2Cl)cc1 2314429783 OONKOTVUEMTXHQ-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE O=C1C(=Cc2c(F)cccc2Cl)Oc2cc(OCc3ccc(Cl)c(Cl)c3)ccc21 2314438471 UILOCXSJYIAHRF-UHFFFAOYSA-N 449.692 6.981 30 10 IKEE COc1ccc(C=NNc2oc([C@H]3C[C@@H]3c3ccccc3)nc2C#N)cc1Br 2320837401 VDWGDEHUZKLPGV-CVEARBPZSA-N 437.297 5.034 30 10 IKEE CCCCCN1COc2ccc3c(c2C1)OC(=Cc1cccc(Br)c1)C3=O 2322047757 NLYUCOYUEDGHJD-UHFFFAOYSA-N 428.326 5.407 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O3)CN([C@@H]1CCCC[C@@H]1C)CO2 2322153073 CQWFIEPKGYXDES-FDDCHVKYSA-N 445.603 6.639 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc3c2CN(C[C@@H](O)c2ccc(Cl)cc2)CO3)C1=O 2322234273 JKJWEORNOKUFFK-JOCHJYFZSA-N 447.918 5.150 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2ccc(Cl)cc2)cc1OC 2322350400 CTMFDJNGKVNOFM-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE COC(=O)c1ccc(COc2ccc3ccccc3c2C=CC(=O)c2ccc(C)cc2)o1 2322591455 GLXAQPOCOPYIEB-UHFFFAOYSA-N 426.468 6.003 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccccc1OCc1ccc(Cl)cc1 2322825200 KOCBTDJABMSATA-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE Cc1cc(OC(=O)c2cc3ccccc3o2)cc2c1C(=O)C(=Cc1ccc(Cl)cc1)O2 2322842597 JMLRFMMTABNBAZ-UHFFFAOYSA-N 430.843 6.230 30 10 IKEE CCCN(CCC)C(=O)COc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OC 2323118319 BCGNPHLNGDKDTL-UHFFFAOYSA-N 429.944 5.272 30 10 IKEE Cc1cc(OC(=O)c2cccc(F)c2)cc2c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O2 2323301516 BUMZMLSGZRVYQY-UHFFFAOYSA-N 443.257 6.276 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccccc3OC)cc2OC)cc1 2323719469 WSRBKUWDAHYHEA-UHFFFAOYSA-N 445.515 5.180 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc(F)c2)c(Br)c1)c1cccc(Cl)c1 2323766701 KBHSFCZUHSCPHA-UHFFFAOYSA-N 445.715 6.717 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 2324077794 YPGQMKXDOJQEBI-UHFFFAOYSA-N 445.515 6.376 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)cc(OC)c1OCc1ccc(F)cc1 2324129857 YABNYMSOMTZOGS-UHFFFAOYSA-N 442.486 6.471 30 10 IKEE Cc1cc(OCCCc2ccccc2)cc2c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O2 2324281002 LONXVMKYJBBJPG-UHFFFAOYSA-N 426.556 6.920 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3F)c([N+](=O)[O-])c2)c(OC)c1 2324473986 TZJJVUATBAMRQR-UHFFFAOYSA-N 437.423 5.226 30 10 IKEE C[C@@H](Oc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O)C(=O)Nc1ccc(C#N)cc1 2325301741 NJESACYSNRGTIW-GOSISDBHSA-N 436.467 5.137 30 10 IKEE CC(C)COc1ccc(NC(=O)C(=O)C=Cc2cccc(OCc3ccccc3)c2)cc1 2325669584 GOTMTCQFGYXDRO-UHFFFAOYSA-N 429.516 5.521 30 10 IKEE Cc1cc(CC(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)CCCC4)c2)ccc1F 2325701657 JWMWKSCKTKAXRT-UHFFFAOYSA-N 428.503 6.057 30 10 IKEE CCCCCCC(=O)Oc1cc(C=CC(=O)c2cccc(Br)c2)ccc1OC 2325720213 BJWHMKDEKYWECI-UHFFFAOYSA-N 445.353 6.230 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2ccc(C)cc2C)cc1OC(=O)C1CCC1 2325735925 ZWNHSBWHZANBFG-UHFFFAOYSA-N 443.337 5.676 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1OC(=O)c1cc(C)cc(C)c1 2325745045 ILDSIGIDTDBTBT-UHFFFAOYSA-N 444.483 5.199 30 10 IKEE COc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3c(C)cc(C)cc3C)c2)cc1 2325764849 RCPHCSKUHJVFBH-UHFFFAOYSA-N 430.500 5.501 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccccc2[N+](=O)[O-])c1)c1cc(Cl)ccc1Cl 2325775139 ZTKRNEHRFLNRGC-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE CC(C)COc1cccc(C=Nn2cnnc2SCc2ccc(Cl)c(Cl)c2)c1 2326489234 DLBHRXKUTFVIJB-UHFFFAOYSA-N 435.380 5.794 30 10 IKEE Clc1ccc(CSc2nncn2N=Cc2cccc(Cl)c2Cl)cc1Cl 2326489318 GPAQBPGBNHTQHB-UHFFFAOYSA-N 432.163 6.066 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1ccc(O)c(OCC)c1 2328179803 NERJZNKHWBVARY-UHFFFAOYSA-N 442.629 6.007 30 10 IKEE CCCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1ccc(C(C)(C)C)cc1 2328507666 OWRLMDRJEHCGHB-UHFFFAOYSA-N 437.569 5.459 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccncc1 2328551080 BEVPGCDHXJBJKL-UHFFFAOYSA-N 447.539 5.183 30 10 IKEE COc1ccccc1C=Nn1c(SCc2ccccc2F)nnc1[C@H](C)c1ccccc1 2330109046 XBSJTFODKPFQJH-GOSISDBHSA-N 446.551 5.752 30 10 IKEE Fc1ccccc1C=Nn1c(Cc2cccs2)nnc1SCc1ccccc1Cl 2330398466 HMVWLTATQRRYGR-UHFFFAOYSA-N 442.972 5.897 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2cccc3ccccc23)nnc1-c1cccs1 2330592629 ULHOWBWRULKMTI-UHFFFAOYSA-N 440.597 6.643 30 10 IKEE COCCC(=O)Oc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-] 2330602039 GDSOWOHFGRLAHM-UHFFFAOYSA-N 431.444 5.100 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3cc(C)cc(C)c3)c(OC)c2)c1 2330778056 RAKQDZSTYSELJY-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)ccc1OC(=O)Cc1ccc(C)cc1 2330794542 KQWNAQKXTBBUFC-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CC(C)(C)C)nnc1SCCc1ccccc1 2330850989 UVVGKYIOLVHCRX-UHFFFAOYSA-N 434.609 5.649 30 10 IKEE Cc1cccc(CSc2nnc([C@H]3CCCO3)n2N=Cc2ccc(Cl)cc2Cl)c1 2330929451 QQRMPQCZFVRRIV-LJQANCHMSA-N 447.391 5.919 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2C2CCCC2)c1 2331072157 XRNFPHLORNHCQY-UHFFFAOYSA-N 448.636 6.516 30 10 IKEE Clc1ccccc1CSc1nnc(C2CCCC2)n1N=Cc1cccc2ccccc12 2331077859 CANWLSMZOYBXBU-UHFFFAOYSA-N 447.007 6.917 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3cccc(Cl)c3)cc2)c(OC)c1 2331116411 XPYOVHFXNOCPCZ-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)c(Cl)c1)c1ccccc1 2331165616 HCCQADIVKYKUKK-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE Cc1ccccc1C=Nn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1ccco1 2331173980 VGPKPMOQZUUFCH-UHFFFAOYSA-N 445.548 5.076 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2[N+](=O)[O-])cc1 2331225589 USORUGNTRVJJPZ-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE CCCSc1nnc(CCOC)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2331295896 QSUGQXSUCPUIFK-UHFFFAOYSA-N 444.988 5.084 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C(C)(C)C)c1 2331409078 RMEXOJLQBXTMQE-UHFFFAOYSA-N 443.016 6.192 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)[C@@H]1CCCO1 2331488862 DBNJGWNLWCLBPW-NRFANRHFSA-N 428.912 5.453 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2)cc1 2331491783 MEUVGXRJLBPOTP-UHFFFAOYSA-N 428.484 5.851 30 10 IKEE O=[N+]([O-])c1ccccc1C=Nn1c(SCc2cccc(Cl)c2)nnc1C1CCC1 2331541671 ZDRSSGZPLHRSMP-UHFFFAOYSA-N 427.917 5.282 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)cc(OC)c1OC(=O)C1CCC1 2331630804 WJXCKZNHJWPDLJ-UHFFFAOYSA-N 434.532 5.651 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)ccc1OC(=O)C1CC1 2331639545 POENQUVIDSHKOF-UHFFFAOYSA-N 435.303 5.612 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1Br 2331664910 MVSMJMJQLOLFKS-UHFFFAOYSA-N 445.353 6.066 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc4c(c3)OCO4)c([N+](=O)[O-])c2)cc1C 2331707370 XFVHURDRKNRFFI-UHFFFAOYSA-N 445.427 5.056 30 10 IKEE Cc1ccc(CSc2nnc(C3CC3)n2N=Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1 2331717301 UBTCZSYTBXWGRJ-UHFFFAOYSA-N 427.917 5.200 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc(Cl)c1OC(=O)C1CC1 2331780369 VFEXAHXOYDBSLJ-UHFFFAOYSA-N 426.940 6.166 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)Cc2ccc(F)cc2F)cc1 2331780422 HPUOYMHFLSBPER-UHFFFAOYSA-N 448.509 6.615 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cc(OC)c(OC(=O)c2ccco2)c(OC)c1 2331876379 SBOFDNTWAWVFOD-UHFFFAOYSA-N 442.851 5.074 30 10 IKEE CC1(C)OB(/C=C/c2ccc(Nc3cccc(OCc4ccccc4)c3)nc2)OC1(C)C 2339536124 PLIQKASXKPCWPA-FOCLMDBBSA-N 428.341 6.049 30 10 IKEE CC(C)(C)C#CC=CCOCc1cc(I)ccc1Br 2341780187 OCBKGAFJVOIEAJ-UHFFFAOYSA-N 433.127 5.176 30 10 IKEE CCCN[C@H](C#CC1(SC)CCC1)c1cc(Br)sc1Br 2361283508 CAVHDNBPQIEHIP-GFCCVEGCSA-N 437.266 5.603 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)cc(COC)c1 2362299566 LFUYRTOEOBOQAH-RTBURBONSA-N 441.410 5.106 30 10 IKEE C=CCCCCCCC[C@H](N)[C@@H](O)c1sc(Cl)cc1I 2366650335 MLSLETFKZFQVHQ-GXTWGEPZSA-N 427.779 5.284 30 10 IKEE N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(Oc4ccccc4)cc3)s2)cc1 14621450 PQBFGVJVZYXORN-UHFFFAOYSA-N 444.541 5.747 30 10 IKEE Cc1cccc(/N=C2\S[C@@H](CC(=O)c3ccc(C)c(C)c3)C(=O)N2c2cccc(C)c2)c1 15055195 AOHBXJPQGZQVQM-DEVZUPFRSA-N 442.584 6.329 30 10 IKEE C=CCOC(=O)C(=Cc1ccc2c3cccc4cccc(c5cccc1c52)c43)C(=O)OCC=C 15772159 KANUYCZSIQGVJV-UHFFFAOYSA-N 446.502 6.579 30 10 IKEE C=CCc1cc(/C=C2/C(=N)N3C=CSC3=NC2=O)cc(OC)c1OCc1ccc(C)cc1 20032281 WZBVRUNTIHVDRA-ZQCYNNBZSA-N 445.544 5.088 30 10 IKEE CCCCN(CCCC)C[C@H](O)Cn1cc(/C=C/C(=O)c2ccc(C)cc2)c2ccccc21 20439299 HUVFCCVAOSDMDI-ZOGILVBSSA-N 446.635 6.109 30 10 IKEE CC[C@H](C)Oc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 20883801 QMYZHVOKBCTQRT-GYERCMHNSA-N 444.600 6.905 30 10 IKEE C=CCn1c(SCc2noc(CC(C)C)n2)nc2scc(-c3ccccc3)c2c1=O 30791209 SYNUYSKYQFJIMC-UHFFFAOYSA-N 438.578 5.185 30 10 IKEE CCCn1cc(CN/C(=N/C(=O)c2cccc(F)c2)Nc2ccc(Cl)cc2C)c(C)n1 32973122 AITSCUVZAQVFHI-UHFFFAOYSA-N 441.938 5.101 30 10 IKEE CCOc1cc(/C=C\C(=O)c2ccc(-c3ccccc3)cc2)ccc1OCC(=O)N(C)C 33481502 YTLTURVJDBWTBO-YBEGLDIGSA-N 429.516 5.115 30 10 IKEE O=C1NC(=N/c2ccc(O)cc2)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)S1 33568038 ILXCZUWCKSUEEU-YVLHZVERSA-N 431.300 6.487 30 10 IKEE C=CCC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C1CC1 36345890 MLGAVALASYYZKP-DEOSSOPVSA-N 431.580 5.573 30 10 IKEE C=CCC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C(C)C 36346300 WAOLBZJAIINSAT-QHCPKHFHSA-N 437.559 5.650 30 10 IKEE COc1ccc(/C=C2/Oc3c4c(cc(C)c3C2=O)OCN(CCc2cccs2)C4)cc1 37858161 UZIUYUBJNUDGQU-LPYMAVHISA-N 433.529 5.076 30 10 IKEE Cc1cccc(/N=C2/S/C(=C\c3c(Cl)cccc3Cl)C(=O)N2c2ccccc2)n1 39863560 ZNHWMAKQWLKQLF-FULCUCPXSA-N 440.355 6.505 30 10 IKEE C=Cc1ccc(COc2cc(C)c3c(c2)O/C(=C\c2cccc(OC)c2OC)C3=O)cc1 41504678 XITLEJHISYIRFD-OYKKKHCWSA-N 428.484 5.850 30 10 IKEE COc1ccc(CCN2COc3c(cc4c(c3C)O/C(=C\c3ccccc3F)C4=O)C2)cc1 41586906 HIBNVJAHKFFOIP-OYKKKHCWSA-N 445.490 5.154 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc3c2CN([C@@H](C)c2ccccc2)CO3)C1=O 41656262 FEEWTSBBWXWPBH-AOBKZXEFSA-N 427.500 5.615 30 10 IKEE Cc1ccc(NC(=O)c2cnn3c2NC2=C(C(=O)CCC2)[C@H]3c2cccc(Cl)c2)cc1C 64874264 GJBWFJYMGUYKTH-HSZRJFAPSA-N 446.938 5.428 30 10 IKEE Cc1ccc(-c2nc3ccc(C)cn3c2C(=O)Nc2scc(C(C)(C)C)c2C#N)cc1 96756763 IJCSTROFWLCDBK-UHFFFAOYSA-N 428.561 6.101 30 10 IKEE CCCOc1c(Cl)cc(/C=C/C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1OC 97554388 GOVWBWWXOITIAI-SCOAYWHSSA-N 444.984 6.184 30 10 IKEE O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1c(Cl)cccc1Cl)c1c(O)n[nH]c1N2 98036585 ODBVGGMSUOTQOO-HUTHGQBESA-N 432.332 5.442 30 10 IKEE CCCCCCCOc1ccc(NCC(=O)Nc2ccc(OCCCCCC)cc2)cc1 100077403 QSRLFGGYZPMIJD-UHFFFAOYSA-N 440.628 7.046 30 10 IKEE CCCCCCCNC(=S)NC(=O)c1cc(Br)ccc1OCCCC 100188608 UYAJVBVHTUGONU-UHFFFAOYSA-N 429.424 5.203 30 10 IKEE CCCCCCCCn1c(CCCNC(=O)c2ccccc2Cl)nc2ccccc21 102149791 WTNQOFCNJXAIIL-UHFFFAOYSA-N 426.004 6.413 30 10 IKEE CCCCCCCCCn1c(CCCNC(=O)Cc2ccc(OC)cc2)nc2ccccc21 102157165 ORPCIMFEYBCCFQ-UHFFFAOYSA-N 449.639 6.087 30 10 IKEE CCCCCCCCCCCCCCCCn1c(-c2ccccc2C)nc2ccccc21 102195065 HRHKVWHXMNQPAY-UHFFFAOYSA-N 432.696 9.493 30 10 IKEE C=CCOC[C@H](O)CN(Cc1cccn1Cc1ccc(C(C)(C)C)cc1)[C@H](C)C(C)C 104912348 NFTQYVKTVWIWRA-ATIYNZHBSA-N 426.645 5.244 30 10 IKEE CCOc1c(Br)cc(/C=N\Nc2nc(-c3cccs3)cs2)cc1OC 169941673 SVVZQFQZSLZXRT-OCKHKDLRSA-N 438.372 5.487 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccccc2OC)cc1 169945167 BIEWZUYOYQULJL-RUZDIDTESA-N 441.527 5.657 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(CC)cc3)[C@@H]2c2ccccc2)c1 170046985 KCZDHHBUNJMTAH-VWLOTQADSA-N 441.527 5.821 30 10 IKEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccccc3)nc2c1 170056042 PJEPOTICQSJYBU-OAQYLSRUSA-N 443.890 5.308 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2sccc2C)s1 170105644 UQXHYNDUHQVHTI-MRXNPFEDSA-N 446.500 5.191 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccc(O)cc2)cc1 170133093 FHUBKIUIRVYKQR-RUZDIDTESA-N 435.479 5.637 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2cccs2)cc1OC 170156124 NIVWALRGRSKPDV-QFIPXVFZSA-N 449.528 5.165 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccccc2)c1 170226754 SLJHOMPMFYUPLT-JOCHJYFZSA-N 433.891 5.522 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccccc1)c1cc2ccccc2o1 170234258 NRKKOROAEUQTIN-QHCPKHFHSA-N 427.431 5.350 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)cc1 170238621 RRJHJMPDBWLSKN-HSZRJFAPSA-N 449.453 5.535 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(F)cc2)cc1 170239581 OGNYGYKATPYOBV-DEOSSOPVSA-N 445.490 5.643 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2c[nH]c3ccccc23)cc1 170255731 XKZRZDIHTGZOAY-DEOSSOPVSA-N 446.547 5.725 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2c[nH]c3ccccc23)c1 170256330 GKLLIFBTBSLNJW-XMMPIXPASA-N 444.531 5.478 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1cccc(O)c1)c1ccc2c(c1)CCCC2 170257778 CEMZPPUJDIZQHL-XMMPIXPASA-N 443.474 5.193 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccccc2C)ccc1Cl 170271687 WMHGQALVZPEXIC-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@H]1c1ccccc1C 170277307 UEFYHUBIFRBMJP-JOCHJYFZSA-N 441.955 5.816 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1ccccc1C 170277529 SZGYIDALLCXGIY-JOCHJYFZSA-N 437.923 6.163 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(F)c4)[C@@H]3c3ccc(C)o3)oc12 170299146 LIMFLBQPPSBLQP-OAQYLSRUSA-N 447.418 5.265 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccc(C)o2)cc1 170299376 XTGHFRSHLQVVFN-OAQYLSRUSA-N 439.414 5.048 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1ccc(C)o1 170305438 DFKMUHDNVHORLQ-JOCHJYFZSA-N 431.488 5.305 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@H]1c1c(C)[nH]c2ccccc12 170312222 RLNYOKMDOWKCRO-XMMPIXPASA-N 446.547 5.597 30 10 IKEE CC(C)Oc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C(C)C)cc2)cc1 170473171 FKZSLYAYIAILTG-DEOSSOPVSA-N 445.515 5.973 30 10 IKEE Cc1ccc(C)c(OCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c1C 170522180 UJSYDLIRITYMSU-UHFFFAOYSA-N 436.511 6.428 30 10 IKEE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/Oc3ccc(C)cc3C2=O)cc1 213993464 JGYCZUBKKOJRNX-YZSQISJMSA-N 436.511 6.253 30 10 IKEE CCCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)SC1=Nc1ccccc1 252598394 CZQLAKQHNHBYLF-AQAUNXFGSA-N 432.501 5.659 30 10 IKEE C=CCN1C(=O)/C(=C2\Sc3ccccc3N2C)SC1=Nc1ccc2ncccc2c1 254304024 UPCHTFZTFAPMCZ-CVJJEBQVSA-N 430.558 5.395 30 10 IKEE O=S(=O)(c1ccc(N=Cc2c3ccccc3cc3ccccc23)cc1)N1CCCCCC1 254484682 GEEZGDJNVNWPOH-UHFFFAOYSA-N 442.584 6.308 30 10 IKEE Cc1ccc(-c2nnc(NN=Cc3cc(C)n(-c4ccccc4)c3C)c3ccccc23)cc1C 254850201 YTTAEXLOUPEBSD-UHFFFAOYSA-N 445.570 6.767 30 10 IKEE N#Cc1cc2c(nc1SCC(=O)Nc1sc3c(c1C#N)CCCCC3)CCCCC2 261526852 NFNAHRCZZDCDAJ-UHFFFAOYSA-N 436.606 5.155 30 10 IKEE CC(C)(C)OC(=O)N1CCc2cccc(CNc3cc(Br)ccc3C#N)c21 312186380 HDXLKMULSHCGRK-UHFFFAOYSA-N 428.330 5.230 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(OC)cc2)c1 526490697 XPDBLWYTDRDCAY-XMMPIXPASA-N 426.472 5.023 30 10 IKEE COc1ccc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1OC 526516103 MTYFXPMDTNXJIL-QHCPKHFHSA-N 446.890 5.286 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Br)cc1 526743539 AGVVHVISPDJAJR-OAQYLSRUSA-N 448.316 5.540 30 10 IKEE CCOc1cc(/C=N\n2cnnc2SCc2cccc(Cl)c2)cc(Cl)c1OC 526811859 AJVJDQZZLWNVCX-RMORIDSASA-N 437.352 5.167 30 10 IKEE COc1cc(/C=N\n2c(C)nnc2SCc2cccc3ccccc23)ccc1OC(C)C 526821301 LJUVUTUXIKYRGI-YSMPRRRNSA-N 446.576 5.710 30 10 IKEE CC(C)[C@@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)CC1 698481038 CWKOHQVBSJFIEA-VGOFRKELSA-N 435.406 6.689 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@]1(C#N)CCc2ccc(Br)cc21 698850344 IUNPTAFWNHKONK-NRFANRHFSA-N 431.305 5.695 30 10 IKEE C=C([C@H](NCCC)c1ccc(I)c(Br)c1)C(F)(F)F 721628151 HDYRTEFVUWHZEL-LBPRGKRZSA-N 448.064 5.213 30 10 IKEE Fc1c(F)c(F)c(NN=C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(F)c1F 1088668166 AARWYDVIFZSTRW-UHFFFAOYSA-N 431.191 6.553 30 10 IKEE COc1ccccc1-c1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c(O)n1 1265069085 HUOJGLNMXZKHHS-UHFFFAOYSA-N 437.455 5.379 30 10 IKEE O=C1/C(=C/C=C/c2ccccc2)S/C(=N\N=C/C=C/c2ccccc2)N1Cc1ccco1 1554646327 CBOKNSSSMLRPNE-OMDHDJGFSA-N 439.540 6.008 30 10 IKEE C=CCc1ccc(OCC(=O)N(CCc2ccccn2)c2c(C)cccc2C)c(OC)c1 1615945928 YQHPCWINBMYVBU-UHFFFAOYSA-N 430.548 5.090 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=Nc1cccc(C)n1 1772739202 VNGKYZXBUVIKJO-SKYIDQJDSA-N 446.488 5.348 30 10 IKEE Cc1ccc(C[C@@H]2SC(=NN=Cc3c(-c4ccccc4)[nH]c4ccccc34)NC2=O)cc1 1772741927 MYKYIBDUZRPUPA-QHCPKHFHSA-N 438.556 5.308 30 10 IKEE CCc1ccc(-n2cc(/C=N\NC(=S)Nc3cccc(F)c3)c(-c3cccs3)n2)cc1 1857809855 CVFMJKZDLDXHTL-QFEZKATASA-N 449.580 5.623 30 10 IKEE C[C@@H]1CCCC[C@@H]1NC(=O)Oc1cccc2c(NC(=O)c3cccc(C#N)c3)cccc12 1858944928 WKIBWHDYSPKOPA-VGSWGCGISA-N 427.504 5.631 30 10 IKEE CCCCCCCCNC(=O)[C@H](NC(=O)CCc1ccc(Cl)cc1)c1ccccc1 1861105113 BSDKZHKEYALGHP-XMMPIXPASA-N 429.004 5.607 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)c1ccc2nc(C)[nH]c2c1 1861449771 NCGULSGTSSAABN-QFIPXVFZSA-N 428.621 5.417 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)CCCOc1ccccc1C 1861707063 VKRRRZPFFPMRIT-QHCPKHFHSA-N 432.649 5.696 30 10 IKEE CCCCCCCCNC(=O)c1ccc2nc(-c3ccc(OCC)c(OCC)c3)[nH]c2c1 1861873702 PLTMHVGGJHELBL-UHFFFAOYSA-N 437.584 6.118 30 10 IKEE Cc1ccc(C)c(Cn2nc(C(=O)Nc3cccc(C#N)c3)cc2CCc2ccccc2)c1 1862325751 DFNNRMGQWRSUHB-UHFFFAOYSA-N 434.543 5.457 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(C(C)C)cc2)n(Cc2ccccc2Cl)n1 1862371660 GWZXLBPDLLPORW-UHFFFAOYSA-N 433.983 6.189 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CC(C)C)c1 1862384686 YEZJXKMCLCAMBM-FQEVSTJZSA-N 448.346 5.626 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2ccc(Cl)cc2)cc1 1862391880 KOLOSCXDYYTEBX-AOMKIAJQSA-N 425.956 6.059 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc3cc[nH]c3c2)cc1C 1862407509 PTLMMMQUZLNQPW-QHCPKHFHSA-N 430.504 5.006 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862441538 KNTWXPGWCNUMLZ-HSZRJFAPSA-N 431.919 5.735 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@@H]2c2cccc(F)c2)cc1 1862474278 LYEXQBCLJNNTMJ-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCc3ccccc3)[C@H]2c2cccc(O)c2)cc1 1862475941 XVEJBILJUANWRY-VWLOTQADSA-N 441.527 5.302 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 1862481943 KBGIFZPJTDQCMW-HXUWFJFHSA-N 447.453 5.019 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccccc1F 1862489598 DDCHCQDESSRYID-HSZRJFAPSA-N 439.527 5.228 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccccc2F)cc1 1862501439 CHEOVPBKROWKKV-XMMPIXPASA-N 447.481 5.403 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@H]1c1ccccc1C 1862514600 KADGFDBOSNNMNZ-XMMPIXPASA-N 435.564 5.942 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(O)cc1 1862530041 MQLXJDXVWGSNBW-XUZZJYLKSA-N 435.564 5.892 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2cccc(OC)c2)cc1 1862530813 YKPUYYPHNMIAJD-CUHUQNRHSA-N 433.548 5.415 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc2cc[nH]c2c1)c1cccc2ccccc12 1862651462 SYVYEEQCDPPFGV-RUZDIDTESA-N 436.511 5.842 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2cccc(O)c2)cc1 1862664005 ZWXDAHYHEBHYCY-YJGRUCBDSA-N 433.548 5.673 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862673791 OIZKRXPKXHZHTH-HSZRJFAPSA-N 433.454 5.306 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc2cc[nH]c2c1 1862714048 CQJJESJYZYUSHA-RUZDIDTESA-N 438.527 5.946 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cc(Cl)cc(Cl)c1 1862744840 VYHJEVDEIILZIP-GOSISDBHSA-N 449.290 5.136 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCCCO)=C(c2ccc(Cl)cc2)C1=O 1863533712 OVMBOBOGVGQAKC-UHFFFAOYSA-N 449.035 5.313 30 10 IKEE Cc1ccc([C@@H](C#N)NC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc1 1868030817 KAVCJPSRSQTKRE-HXUWFJFHSA-N 443.385 5.595 30 10 IKEE CCCCCOc1cn(CCCC)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870188061 TYUPDQRASUQZAB-UHFFFAOYSA-N 427.614 5.702 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(F)cc2)c(=O)cc1CN1CCC[C@@H](C)C1 1870625489 HGNBULYJSVOFHF-JOCHJYFZSA-N 442.619 6.159 30 10 IKEE C=CCOc1cn(CCCCCCCCCC)c(CNc2ccc(C)c(Cl)c2)cc1=O 1870812860 LZXASHDWLQHSAX-UHFFFAOYSA-N 445.047 7.128 30 10 IKEE CCCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(C)c(F)c1 1871253028 ZHOMMVFHDPBDCC-UHFFFAOYSA-N 447.554 5.939 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OC(=O)c4cccc(Br)c4)cc(C)c3C2=O)c1 1871364817 UWNYYGPUDGLVGN-NHDPSOOVSA-N 449.300 5.901 30 10 IKEE O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O 1871374983 NBSSFSMLFMELHP-CDSBARFGSA-N 437.278 6.228 30 10 IKEE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871376878 IYXSNUFAHGLRGC-DIBFYORYSA-N 430.431 5.378 30 10 IKEE CCCCC1CCC(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)CC1 1871382693 BGOAEUZPYJBNDU-XYGWBWBKSA-N 432.560 6.822 30 10 IKEE COc1ccc(OCCOc2ccc3c(c2C)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871415291 ZPNPWAZBZPHTSA-HAHDFKILSA-N 436.891 5.731 30 10 IKEE Cc1c(OCCC(=O)OCCC(C)C)ccc2c1O/C(=C\c1c(F)cccc1Cl)C2=O 1871429788 YBMGQAFBFMFUKJ-BKUYFWCQSA-N 446.902 5.762 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OCCc4ccc(C)cc4)cc(C)c3C2=O)cc1 1871437511 CZOSINSFTARWQI-IMRQLAEWSA-N 441.571 6.387 30 10 IKEE Cc1cc(OCCC(=O)Nc2ccccc2)cc2c1C(=O)/C(=C/c1ccc(N(C)C)cc1)O2 1871447051 NVLXKDJPVFJOND-JLPGSUDCSA-N 442.515 5.085 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(CCCC)cc2)[nH]c(N(CC)CC)n1 1871502712 UQZUFDBUQHYNTB-UHFFFAOYSA-N 426.653 5.998 30 10 IKEE CCCCCCCCN=c1nc(N2C[C@@H](C)C[C@H](C)C2)[nH]c(=Nc2ccc(C)c(F)c2)[nH]1 1871579584 BZLPOHDAIBNYTC-OALUTQOASA-N 442.627 5.161 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)cc1)[C@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1871776637 OMJMAKXAOQVJJG-HYBUGGRVSA-N 442.625 5.232 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(CCCC)cc1)C(C)C)S(=O)(=O)c1ccc(C)cc1 1871818523 OIGLFQZALTZKBH-XMMPIXPASA-N 442.625 5.178 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1cc(C)ccc1C 1872059222 FNXFNDWSFDXOAY-QFIPXVFZSA-N 446.588 5.125 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)S(=O)(=O)C1CC1 1872324259 KNUWXUIMWVKGJJ-XMMPIXPASA-N 448.673 5.657 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1cc(C)ccc1C 1872527944 MKHSIRWMUJFVPH-HSZRJFAPSA-N 442.625 5.294 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(Cl)cc3Cl)n2)cc1 1872768444 SULQKVKGFLMOGN-INIZCTEOSA-N 447.343 5.771 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@H](C#N)C(=O)c3cccc(NC(C)=O)c3)n2)c1 1872781498 VLXXBKDHMZWXQK-HXUWFJFHSA-N 449.532 5.056 30 10 IKEE Cc1cccc(OCC(=O)[C@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)c1C 1872787122 BHGCMXIPRFAICM-INIZCTEOSA-N 431.344 5.989 30 10 IKEE CCCCN(CCCC)CC(=O)[C@H](C#N)c1nc(-c2ccc(OCC)cc2)c(C)s1 1872799843 MJIBCKOHIYTOBD-NRFANRHFSA-N 427.614 5.596 30 10 IKEE CCCCCCCCNC1=C(c2cc(F)cc(F)c2)C(=O)N(CCc2ccccc2)C1=O 1873112815 DFRQIZDXCIDXLZ-UHFFFAOYSA-N 440.534 5.238 30 10 IKEE CCCCCCCCNC1=C(c2ccc(OC(C)C)cc2)C(=O)N(C2CCCCC2)C1=O 1873146038 CLMWVXIDJHESQG-UHFFFAOYSA-N 440.628 5.837 30 10 IKEE N#Cc1nc(Cc2cccc3ccccc23)oc1N/N=C/c1ccc(Br)cc1 1873464103 XQKLCQPEDZIBTQ-AFUMVMLFSA-N 431.293 5.499 30 10 IKEE CCCCCCCCCCNc1ncnc2c1ccc(=O)n2-c1ccc(C)c(Cl)c1 1873535685 LATATCDTAGUPKK-UHFFFAOYSA-N 426.992 6.295 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)cc2C)cc2c(NCc3ccccc3C)ncnc21 1873618924 OLJONYMYHZWJKE-UHFFFAOYSA-N 425.536 5.407 30 10 IKEE C=CCn1c(C(=O)Nc2cc(Cl)ccc2C)cc2c(NCc3ccccc3F)ncnc21 1873637356 VRVRINPVDOXERD-UHFFFAOYSA-N 449.917 5.583 30 10 IKEE CSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccccc1OC(C)C 1874214728 BZYJHEBSGYAOLN-BUVRLJJBSA-N 444.988 5.334 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccccc1 1874274417 FZKIGJIBIMOQFL-WPWMEQJKSA-N 447.007 6.200 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1ccc(N(C)C)cc1 1874320327 LMVIEFRQPXUEFW-AFUMVMLFSA-N 435.597 5.090 30 10 IKEE Cc1cccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2O)c1C 1874323442 PLPFXSPVMSDCDV-CVKSISIWSA-N 444.560 5.354 30 10 IKEE C=CCSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874367752 MNPHHPYLBNQSKR-ZVHZXABRSA-N 442.972 5.555 30 10 IKEE COCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1cccc(Cl)c1 1874475373 XELNMSOSWKIBMF-FOKLQQMPSA-N 439.343 5.087 30 10 IKEE CCCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccc(OC)cc1 1874479261 RBPGFYRBNGITLV-ZMOGYAJESA-N 449.407 6.111 30 10 IKEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1cc(Cl)ccc1O 1874533386 GQGQOVUVKVRIBS-ODCIPOBUSA-N 427.744 5.427 30 10 IKEE COc1ccc(/C=N/n2c(S)nnc2CC2CCCCC2)cc1OCc1ccccc1 1874560961 XZCZCRRIQZQXIV-PCLIKHOPSA-N 436.581 5.159 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(F)cc2)c(C)c1 1874579100 WKBFEIWSGUALCF-NYYWCZLTSA-N 437.898 6.010 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(CC)cc3)cc2Cl)o1 1874604462 NWALMAQJLLCVNJ-KPKJPENVSA-N 438.907 6.147 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1[N+](=O)[O-] 1874608879 MDOHKWLMXQDOND-PKNBQFBNSA-N 444.915 5.172 30 10 IKEE CCCOC(=O)COc1c(Cl)cc(/C=C/C(=O)c2cccc(Cl)c2)cc1OCC 1874612335 PCKIGQWZLIBUJV-CMDGGOBGSA-N 437.319 5.620 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(OC)c1OCc1ccc(C)cc1 1874614429 PUGVLIKQPPELML-XNTDXEJSSA-N 432.947 6.861 30 10 IKEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1OCC 1874615991 WLEOOJLJEBUUKU-WEVVVXLNSA-N 436.335 5.193 30 10 IKEE C=C(C)COc1c(Cl)cc(/C=C/C(=O)c2ccc(OCC)cc2OCC)cc1OCC 1874632424 WPHZHCPDUJVZQP-FMIVXFBMSA-N 444.955 6.387 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1)NC1CCCCC1 1874637899 XKCDQKKEJFIEKR-MDWZMJQESA-N 432.347 5.717 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)CC3CCCCC3)c2)cc1 1874695683 NSTPYADKYLONHR-GHRIWEEISA-N 434.576 6.810 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(F)c(C)c3)c2)cc1C 1874717889 NUBCXWULDYWOFU-PKNBQFBNSA-N 432.491 5.804 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2Cl)cc(OC)c1OC(=O)Cc1ccccc1 1875110220 AGBYUHOJMVGPLB-CCEZHUSRSA-N 446.930 6.121 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)Cc1ccc(F)cc1F 1875127488 IEWGNTXAEBYTQE-DHZHZOJOSA-N 438.426 5.026 30 10 IKEE CCc1ccc(C(=O)Oc2c(OC)cc(/C=C/C(=O)c3ccc(C)cc3C)cc2OC)cc1 1875131735 LLZMBDPWFGWPHK-GXDHUFHOSA-N 444.527 5.998 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)c1ccc(C)cc1 1875142513 HCKUQBXYABDYQB-NTEUORMPSA-N 444.502 6.295 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 1875142692 PPHDKUZUXLGXIZ-ONNFQVAWSA-N 449.434 5.475 30 10 IKEE COc1cccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2)c1 1875156363 WUSNWTMZGGIYTB-CXUHLZMHSA-N 430.500 5.699 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(OC)c(Cl)cc2OC)cc1[N+](=O)[O-] 1875173462 HDNDIVDKAHTSHD-VQHVLOKHSA-N 447.871 5.257 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)c1ccncc1 1875182923 BHKOMYSCBJZOQJ-VOTSOKGWSA-N 449.934 6.174 30 10 IKEE C=C(C)C[C@H](NCCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875659930 GRQPBQPNRLGRIU-LITSAYRRSA-N 445.603 6.212 30 10 IKEE Cc1ccc(Oc2cccc(C(=O)NCC#CCOc3cccc(C(F)(F)F)c3)c2)cc1 1891699062 PAOSPJNONQPNIZ-UHFFFAOYSA-N 439.433 5.618 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1C[C@H]2C[C@H]1C[C@H]2NC(=O)OC(C)(C)C 1922068318 HXCDCPUVFQIJPC-LSDVVMKASA-N 428.617 5.067 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C 1922094641 MYBQLMZNGXFSIL-VWLOTQADSA-N 436.596 5.798 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1scc(Br)c1C 1923038050 NGQSTQVMANYWGY-HZPDHXFCSA-N 429.424 5.166 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 1944736205 KVQWFUZFDOMBKV-MOPGFXCFSA-N 433.524 5.249 30 10 IKEE C#Cc1ccc([C@@H](CCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 1951606854 BUDHSUYEYRLMTO-RUZDIDTESA-N 425.484 5.113 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCC[C@H]2CNC(=O)OC(C)(C)C)c1 2032217269 PCZCXBDVUNBWIH-UQBPGWFLSA-N 443.588 5.714 30 10 IKEE CC[C@@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2C)CN1C(=O)OC(C)(C)C 2040669131 XNXLQVGREVHCBJ-CLOONOSVSA-N 443.588 5.808 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)C2(C#N)CCC(N(C)C(=O)OC(C)(C)C)CC2)c1 2048953278 OKOFOTQEOILAPW-UHFFFAOYSA-N 443.588 5.808 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)CC23CC3)c1 2065973519 ONPAQHFXVXYGQQ-RUZDIDTESA-N 441.572 5.420 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H]3C[C@@H](OCc4ccccc4)C[C@H]32)cc1 2070328077 OTWOIRBNFVMCJV-WDGUNVFXSA-N 432.564 6.014 30 10 IKEE C=C(C(=O)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(F)(F)F 2071347598 XBOIAKXAYYFHIZ-DEOSSOPVSA-N 442.433 5.566 30 10 IKEE C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2076325114 ICUGGMFFGCOQFG-UQBPGWFLSA-N 449.636 5.876 30 10 IKEE CCc1ccc([C@H](n2nc(C3CC3)c(/C=N/O)c2I)C2(C)CC2)cc1 2079080984 AYUIEGKZQDJJSQ-YPKZHZFPSA-N 449.336 5.125 30 10 IKEE CC[C@@H](c1ccc(C(F)(F)F)cc1)n1nc(C(F)(F)F)c(C#N)c1Br 2079907279 FLAXXCSAEBICNV-NSHDSACASA-N 426.158 5.554 30 10 IKEE Fc1ccc(C(F)(F)F)cc1-c1c(C(F)(F)F)nn(C(F)F)c1Br 2080878416 ZEZDOCILAGYPJJ-UHFFFAOYSA-N 427.064 5.884 30 10 IKEE Fc1c(F)c(F)c(-c2c(C(F)(F)F)nn3c(Cl)c4c(nc23)CCCC4)c(F)c1F 2081523075 FNRXJESCHXFKRM-UHFFFAOYSA-N 441.709 5.643 30 10 IKEE C=CCCCCC[C@@H](O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229109502 KGBMDBNFJSGZJQ-RTBURBONSA-N 426.395 5.382 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCC)c2sc(C)c(C)c2Br)C1 2229310211 YDPNTOMYSRABAL-KRWDZBQOSA-N 443.451 5.639 30 10 IKEE C=CCC[C@H](C)[C@@H](NCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237418038 DLQYKWPWMGXRNU-FFZOFVMBSA-N 439.438 5.465 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1sc(Br)c(C)c1C 2254702517 VVTGVBLNDLDJJF-CABCVRRESA-N 429.424 5.085 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1sc(Br)c(C)c1C 2265903980 IDDXYEAHQIELDZ-CVEARBPZSA-N 443.451 5.475 30 10 IKEE C=CCCC1([C@@H](NC)c2sc(C)c(Br)c2C)CN(C(=O)OC(C)(C)C)C1 2266318882 XBXFOZZGILAUKW-KRWDZBQOSA-N 443.451 5.591 30 10 IKEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)cc1 2266989861 KFYMIYQDQRQQSG-MRXNPFEDSA-N 444.381 5.227 30 10 IKEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)c1ccccc1 2267237460 PGZNYBXEHDHJLT-UHFFFAOYSA-N 427.353 5.141 30 10 IKEE Cc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)[C@@H](C)C(C)C 2270443754 DHOXEHKXGCUZED-IBGZPJMESA-N 439.380 5.120 30 10 IKEE O=C(C#Cc1cccc(Br)c1)c1cc(Br)cc(Br)c1 2278724927 IEQYBDRPTGMTLM-UHFFFAOYSA-N 442.932 5.209 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)C[C@@H](CC)CNC(=O)OC(C)(C)C 2296218396 DKRQKXMOPBJFFS-YLJYHZDGSA-N 437.422 5.110 30 10 IKEE C[C@H](NC(=O)OC(C)(C)C)c1ccc([C@@H](O)C#Cc2ccc(Br)cc2)cc1 2296268046 ZREJSVUBEONEKF-YWZLYKJASA-N 430.342 5.120 30 10 IKEE CC(C)(C)OC(=O)N[C@@](C)(C(=O)C#Cc1ccc(Br)cc1)C1CCCCC1 2296286229 JEWDTOZDGGLOEU-JOCHJYFZSA-N 434.374 5.233 30 10 IKEE C=CCOc1c(Cl)cc(C=C2SC(=O)N(Cc3ccccc3)C2=O)cc1OCC 2297346582 HNYRWWBMOFRGPB-UHFFFAOYSA-N 429.925 5.540 30 10 IKEE C=CCOC(=O)C=Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 2314014914 YTRJMHBMNVPONQ-UHFFFAOYSA-N 427.711 5.977 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(OCc3ccc(C)cc3)cc2)SC1=Nc1cccnc1 2314542658 XIEYNJXLJJFSHQ-UHFFFAOYSA-N 441.556 5.759 30 10 IKEE Cc1ccc(COc2cccc(C=NNc3oc([C@H]4C[C@H]4c4ccccc4)nc3C#N)c2)cc1 2320840016 QDYMUUHJTIYEGB-DQEYMECFSA-N 448.526 6.151 30 10 IKEE CCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1N=Cc1ccc(C(C)C)cc1 2320934089 KWWKUCTUNSBIGD-UHFFFAOYSA-N 435.597 5.194 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCc4ccc(Cl)c(Cl)c4)c3C)C2=O)cc1 2321787381 BXJDEMJTTWOILF-UHFFFAOYSA-N 441.310 6.506 30 10 IKEE CCCCOCCCN1COc2ccc3c(c2C1)OC(=Cc1ccc(C(C)(C)C)cc1)C3=O 2322145440 DZMMJSSDKBNQSD-UHFFFAOYSA-N 449.591 5.959 30 10 IKEE COc1ccc([C@@H](C)N2COc3cc(C)c4c(c3C2)OC(=Cc2ccco2)C4=O)cc1OC 2322260466 FCZMYIKKJJPACV-MRXNPFEDSA-N 447.487 5.135 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccccc2OCc2ccc(Cl)cc2Cl)cc1 2322391290 NEULBSVZUBTEJB-UHFFFAOYSA-N 439.382 7.811 30 10 IKEE Cc1ccccc1C=C1Oc2c(cc3c(c2C)OCN(C24CC5CC(CC(C5)C2)C4)C3)C1=O 2322437095 ILGIDLZBUQUYMW-UHFFFAOYSA-N 441.571 6.040 30 10 IKEE Cc1cccc(COc2ccc(Br)cc2C=CC(=O)c2ccc(C)cc2C)c1 2322568944 DCSRLHYBYBUPMK-UHFFFAOYSA-N 435.361 6.849 30 10 IKEE Cc1cc(OC(=O)c2ccccc2)cc2c1C(=O)C(=Cc1c(Cl)cccc1Cl)O2 2322667139 YXHQDMSNWXAOFT-UHFFFAOYSA-N 425.267 6.137 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc(Cl)cc2C=CC(=O)c2ccc(F)cc2)c1 2322748617 IMJYDXKGXRZALN-UHFFFAOYSA-N 437.898 6.010 30 10 IKEE COc1ccc(NN=Cc2cc(OC)c(OCc3ccccc3)c([N+](=O)[O-])c2)cc1Cl 2322926666 ZANOMUPABJODAB-UHFFFAOYSA-N 441.871 5.290 30 10 IKEE Cc1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)cc1 2323063425 BMVAHAONJRJWPM-UHFFFAOYSA-N 441.439 5.447 30 10 IKEE CCCCCCCCCOc1ccc(C=NNc2nc3ccc(C)cc3[nH]2)c(Cl)c1 2323202053 XBDRRODJONOYCG-UHFFFAOYSA-N 426.992 7.100 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2Cl)C3=O)cc1C 2323247463 ZRVLNDQRAZGRAB-UHFFFAOYSA-N 439.294 6.446 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)C=Cc1ccc(C(C)C)cc1 2323260150 BSAFLJNQTBBDII-DQEYMECFSA-N 442.644 5.042 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C=Cc1ccc(C(C)C)cc1 2323273886 ONTARBABUUTLQX-HHHXNRCGSA-N 448.651 6.027 30 10 IKEE Cc1c(OC(=O)c2cccc(F)c2)ccc2c1OC(=Cc1cn(C)c3ccccc13)C2=O 2323290834 FPZWFOSAHJUVKD-UHFFFAOYSA-N 427.431 5.461 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3cc(C)ccc3C)c2)cc1Cl 2323310214 CNOGKSRLDLTKEZ-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2)c([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 2323352287 KBKCFORZIMTAOV-UHFFFAOYSA-N 435.479 6.737 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Cl)c1OCc1cccc(Cl)c1 2323719297 FYPAMVADQKCENV-UHFFFAOYSA-N 449.280 6.755 30 10 IKEE CCCOc1c(OCC)cc(C=NNc2nc(-c3cccs3)c(C)s2)cc1[N+](=O)[O-] 2323840661 HFPQYBUEHFXXHG-UHFFFAOYSA-N 446.554 5.722 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc([N+](=O)[O-])c1OCc1cccc(F)c1 2323865227 WOKAODVWBKSVHO-UHFFFAOYSA-N 449.478 6.225 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OCc1ccc(Cl)cc1Cl 2323959839 OFXWMWWECKYLAZ-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OCc1ccc(C)cc1 2324306744 LPWDEBLKFQNLTK-UHFFFAOYSA-N 430.544 6.494 30 10 IKEE COc1ccc(OCCOc2ccc3c(c2)OC(=Cc2cn(C)c4ccccc24)C3=O)cc1 2324676997 CSZHXMVMONOSNZ-UHFFFAOYSA-N 441.483 5.261 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)c(OC)c1OC 2324718966 AHCGBEPWUDSZQG-UHFFFAOYSA-N 449.459 5.096 30 10 IKEE CC(=O)c1ccccc1NC(=O)COc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O 2325566702 SWBWRJOECXXAJP-UHFFFAOYSA-N 439.467 5.079 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OCc4cccc(OC)c4)cc(C)c3C2=O)cc1 2325699774 BHTLFUBFQIVSRZ-UHFFFAOYSA-N 443.543 6.045 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccccc3Cl)c2)cc1 2325718142 JZQNSDXPRVXMQT-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)[C@@H](C)Oc3ccc(Cl)cc3)c2)c(C)c1 2325736254 GLHUWEJWQJQNED-LJQANCHMSA-N 434.919 6.226 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC)c(OC(=O)c3sccc3C)c2)c1 2325743853 VOVYMABYAOYQPT-UHFFFAOYSA-N 438.501 5.198 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC(=O)Cc2ccc(F)cc2)c1 2325765369 ALIZBRLTPGZWBE-UHFFFAOYSA-N 430.519 6.476 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(COc3ccc(Cl)c(C)c3)nnc2SC)cc1 2326489528 YLKRBPDRIGTSMU-UHFFFAOYSA-N 444.004 5.269 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc3ccccc23)n1N=Cc1cccc(O)c1 2326596885 DMPNGCQLNCWXDR-UHFFFAOYSA-N 428.561 5.473 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2N=Cc2cccnc2)cc1C 2329396980 BXPFPLZUIVUUKJ-UHFFFAOYSA-N 431.540 5.194 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)cc3)n2N=Cc2cc(C)ccc2O)cc1 2329935431 LZQFEKOIFQUXBY-UHFFFAOYSA-N 442.588 5.674 30 10 IKEE COc1ccccc1C=Nn1c(CC2CCCCC2)nnc1SCCc1ccccc1 2330275789 BQEZYGMQZXFBSC-UHFFFAOYSA-N 434.609 5.627 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)C=Cc1cccc([N+](=O)[O-])c1 2330618955 OVIHNWZKVVENCA-DEOSSOPVSA-N 431.577 5.150 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1ccc(C)cc1 2330671440 SMUCJUGTSOMGKC-UHFFFAOYSA-N 436.507 6.662 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OC(=O)[C@@H]1CCCO1 2330700931 BGZOXVSZZXXFTA-VWLOTQADSA-N 446.543 5.283 30 10 IKEE CCCCCCOc1ccc(C=Nn2c(SCCC)nnc2[C@H]2CCCO2)cc1OC 2330977163 XHABOGMSXWNUCB-HXUWFJFHSA-N 446.617 5.482 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C2CCCC2)c([N+](=O)[O-])c1)c1cccc(Br)c1 2331004440 XJOKPVSVENNNPJ-UHFFFAOYSA-N 444.281 5.349 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)c1cccs1 2331097004 UTEUVDUCWQIFGD-UHFFFAOYSA-N 448.874 6.194 30 10 IKEE COc1cc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C(C)(C)C)ccc1O 2331416301 BAFMVJRNCCNQKZ-UHFFFAOYSA-N 448.951 5.257 30 10 IKEE COc1cccc(C=Nn2c(CC(C)C)nnc2SCc2ccc(Cl)c(Cl)c2)c1 2331470845 QOROVWVRHRZRJZ-UHFFFAOYSA-N 449.407 5.967 30 10 IKEE CC(C)COC(=O)CSc1nnc(C2CCC2)n1N=Cc1ccc(Cl)cc1Cl 2331541319 KOUHVCCMDZLJBM-UHFFFAOYSA-N 441.384 5.026 30 10 IKEE CC(C)c1nnc(SCc2cccc3ccccc23)n1N=Cc1cccc([N+](=O)[O-])c1 2331705860 WBCHBFZOEXPGCW-UHFFFAOYSA-N 431.521 5.637 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccccc3Cl)c([N+](=O)[O-])c2)c(C)c1 2331768953 QPUFNANPJONXGN-UHFFFAOYSA-N 449.890 6.289 30 10 IKEE COCCOCC(=O)Oc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1Cl 2331860097 BKVUELJRDHQZBM-UHFFFAOYSA-N 443.710 5.111 30 10 IKEE CC(C)(C)OC(=O)Nc1nc2cc(Nc3ccc(C#N)cc3Br)ccc2s1 2382208942 MMJMCQLHKVEZBU-UHFFFAOYSA-N 445.342 6.021 30 10 IKEE CCOC(=O)c1sc(NC(=O)CCCOc2cc(C)c(Cl)c(C)c2)c(C#N)c1C 1956483 GCJMKGQGBBREAU-UHFFFAOYSA-N 434.945 5.173 30 10 IKEE O=C1/C(=C\c2ccccc2Br)Oc2cc(OC(=O)C3CCCCC3)ccc21 33624355 JQRVOCZURAIOEB-UDWIEESQSA-N 427.294 5.551 30 10 IKEE COc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN([C@@H](C)c1ccccc1)C3 41644967 XTUXSCDJDBFKJK-SMNNTEATSA-N 427.500 5.533 30 10 IKEE Cc1c(Cc2ccccc2)sc(/N=C/c2ccc(OCc3ccccc3)cc2)c1C(N)=O 59472718 UXADZQIRYUVBDH-STBIYBPSSA-N 440.568 6.076 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)cc1 59925628 MZODBHSYVQRKFL-UHFFFAOYSA-N 444.575 6.218 30 10 IKEE CCCCCCCCCCCn1c(C)c(C(N)=O)c(-c2ccc(C(=O)OC)cc2)c1C 102448623 CCQGBFFCQJMMJN-UHFFFAOYSA-N 426.601 6.188 30 10 IKEE COc1ccccc1/C=C(\C(=O)c1cc(OC)c(OC)c(OC)c1)c1nc2ccccc2o1 102987131 KMBMKFGUZRMKPM-QGOAFFKASA-N 445.471 5.286 30 10 IKEE CCCCCCCCCC[C@@H](NN)c1cc(Br)c(Br)s1 122698406 JCDCKAQOCATSGK-CYBMUJFWSA-N 426.262 6.308 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2cccc(C)c2C)c1 169933794 PLACNVYUEHGRMY-VWLOTQADSA-N 441.527 5.712 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@H]1c1ccccc1OC 169942977 NSJHNPRVCZYTTO-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(OC(C)C)cc2)c1 169977482 WKDYCKHQXXVGJF-XMMPIXPASA-N 443.499 5.265 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(Cl)c2)[C@@H]1c1cccs1 169986424 NIFKADAHOZWRFR-HXUWFJFHSA-N 439.920 5.501 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 170029466 UOOZXXIBECLAOH-HSZRJFAPSA-N 431.463 5.316 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc3ccccc23)cc1C 170045427 XRGOCVRFLIXVCA-RUZDIDTESA-N 437.495 5.828 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 170068131 SNMCIWQQNYHASV-HSZRJFAPSA-N 430.479 5.123 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@H]1c1cccc2ccccc12 170220929 IQCFFIUBXBLQMJ-HSZRJFAPSA-N 433.479 5.366 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1)c1cc2cc(Cl)ccc2o1 170223579 YCNBYBKREPFWMH-QFIPXVFZSA-N 447.849 6.008 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2)c(OC)cc1Cl 170226137 OEURJESPCOHNBT-JOCHJYFZSA-N 449.890 5.140 30 10 IKEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@@H]1c1ccccc1)c1ccc2c(c1)CCCC2 170234577 DVBGRYNUEOMJQF-XMMPIXPASA-N 449.510 5.225 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2OC)[C@H]1c1ccc(Cl)cc1 170236757 OTTGFRJUDWIRHB-OAQYLSRUSA-N 427.928 5.426 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1cccc(O)c1 170259777 QQHPVFYWTGYNKI-XMMPIXPASA-N 443.499 5.271 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2C)c1 170272045 SAIZRDHQSBAQQW-DEOSSOPVSA-N 427.500 5.567 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccco2)ccc1OC(C)C 170279833 PCSAWRBEEPNPDX-NRFANRHFSA-N 437.517 5.215 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccc(C)o2)c(C)c1 170301954 VSIWSJUSGUNNRX-HSZRJFAPSA-N 431.488 5.305 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2c2ccccc2C)o1 170305555 IEAKZVLSUXXZRN-DEOSSOPVSA-N 445.515 5.714 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cc4cc(Cl)ccc4o3)=C(O)C(=O)N2Cc2ccco2)o1 170307126 NAJKHVJOWVXUQZ-FQEVSTJZSA-N 437.835 5.359 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1c1ccccc1 170314818 VJTZZPVBAOWNHC-OAQYLSRUSA-N 433.529 5.627 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cccc(Cl)c2C)ccc1O 170464216 LETKEUCLLZYQQF-HXUWFJFHSA-N 443.927 5.268 30 10 IKEE COC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 170468428 OEPOXTMDVVKXHK-NRFANRHFSA-N 449.547 5.286 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(OCc3ccccc3)cc2)[C@H]1c1ccccn1 170478719 VEBDBIRYFSJLGD-VWLOTQADSA-N 442.515 5.176 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc(OCc3ccccc3)cc2)[C@@H]1c1cccnc1 170480996 KMTJYQBDTMTASG-HSZRJFAPSA-N 442.515 5.176 30 10 IKEE CCN(CC)c1nc(NCc2ccccc2)nc(NN=Cc2ccc(Cl)cc2Cl)n1 252596575 CKSWAVBXTMPXFF-UHFFFAOYSA-N 444.370 5.083 30 10 IKEE Oc1ccccc1C=Nc1cc2c3c(c1)[C@H](c1ccccc1)CCN3CC[C@H]2c1ccccc1 254386178 BRGJIRDEULZHNL-SVBPBHIXSA-N 444.578 7.020 30 10 IKEE CC(=O)[C@]12O[C@@](C)(c3ccccc3)O[C@@H]1C[C@@H]1[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 263592572 AHBKIEXBQNRDNL-MDZDXVOGSA-N 448.603 5.744 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2c(C)[nH]c3ccccc23)cc1 526514404 FAJYCIJOWZNDLK-RUZDIDTESA-N 435.483 5.414 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(Cl)cc2)cc1 526516212 OLNWYOJJLKCWMA-QHCPKHFHSA-N 430.891 5.668 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(Cl)cc2)c1 526604975 ROUHNYKVENKLRQ-XMMPIXPASA-N 444.918 6.058 30 10 IKEE CCOc1cc(/C=N\n2c(CC)nnc2SCc2ccc(F)cc2)cc(Cl)c1OC 526801185 DWXBGDRKXBUNME-MSXFZWOLSA-N 448.951 5.215 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(Cc2ccccc2)n1/N=C\c1ccccn1 526818001 LPRZDJDGRRTQHK-WGARJPEWSA-N 437.931 5.231 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1cccc(Cl)c1Cl 526825590 GEUKZYOWCHOAGP-MSXFZWOLSA-N 437.371 6.241 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(CCCC#N)c2ccc(OC)c(OC)c2)cc1 586233317 KQVMFZSZXWESCR-UHFFFAOYSA-N 444.597 5.326 30 10 IKEE CCCCCCCC[C@H](NCC)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 707885164 HXGUIGPWBKWFSW-XWGVYQGASA-N 434.665 6.214 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C1 724081721 SAIDNRVRGUBNSI-MHECFPHRSA-N 429.561 5.405 30 10 IKEE O=C1NC(=NN=Cc2ccco2)S/C1=C/c1ccc(-c2cccc(Cl)c2Cl)o1 1772723852 ASFJUIYHAKWZQP-GPZITITASA-N 432.288 5.440 30 10 IKEE Cc1cccc(C(C)C)c1NC(=O)COc1cccc(NC(=O)c2cccc(C#N)c2)c1 1860133453 UTJDBILOSUJQHW-UHFFFAOYSA-N 427.504 5.260 30 10 IKEE CC(C)OC(=O)c1cccc(NC(=O)C(=O)/C=C/c2cccc(OCc3ccccc3)c2)c1 1860730101 YNGWHCRTPHOPOG-CCEZHUSRSA-N 443.499 5.052 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)c1ccc2nc(CCC)[nH]c2c1 1861455492 GPZHAFXOYDTMDS-AREMUKBSSA-N 442.648 5.671 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1cccc(O)c1 1862411307 DVKCKQFWDRMWHA-JLCFBVMHSA-N 435.426 5.010 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862488990 MOFDBMAFZKAZCO-RUZDIDTESA-N 445.559 5.781 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccccc2F)cc1 1862507640 QEXXJKIMNRCTCF-HSZRJFAPSA-N 449.453 5.060 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2ccc(Cl)cc2Cl)cc1 1862521666 NQORSVIZLWLLBE-FQEVSTJZSA-N 448.346 5.771 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccccc2Cl)cc1 1862535474 CWAVHXRFLRSPDE-BXKMTCNYSA-N 445.946 6.242 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cccc(Cl)c1 1862548053 JISSUXIGTPNBTQ-QHCPKHFHSA-N 437.967 5.987 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2Cl)cc1 1862616398 COQJXUHUHMUTHJ-JOCHJYFZSA-N 449.934 6.009 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccccc1[N+](=O)[O-] 1862618731 IAKLMNVKLIXYEB-OAQYLSRUSA-N 436.508 5.127 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(O)c(OC)c1 1862619943 GZKSBBJZPNWQBQ-QRQCRPRQSA-N 437.536 5.075 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc(F)c1 1862650649 ZUVUNJGKBZJTDO-XMMPIXPASA-N 431.507 6.138 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 1862669025 MQMURZUXYUDETC-YCRPNKLZSA-N 445.481 6.206 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862691646 RFQDFLKTZQEKQU-JOCHJYFZSA-N 444.512 5.017 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2ccccc2C)c1 1862698841 NUZRATBZGCXBDP-DEOSSOPVSA-N 427.500 5.091 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862708190 OKAXGYUHGGYYFA-SBUREZEXSA-N 437.536 5.251 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc(O)c1 1862713636 SMJAZSXHSZWLCU-DEOSSOPVSA-N 429.516 5.704 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccc(F)c1 1862724896 WREPSKHPELWXDN-RUZDIDTESA-N 443.518 6.261 30 10 IKEE Cc1cccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3c[nH]c4ccccc34)C2=O)c1C 1863123804 HJAYLGROVVPBJD-UHFFFAOYSA-N 432.483 5.053 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2cccc(Cl)c2)=C(c2cccs2)C1=O 1863804775 HGLNNKPIBYLXAD-UHFFFAOYSA-N 431.001 5.632 30 10 IKEE COc1ccc(C#N)c(NC(=O)c2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)c1 1866082137 YTRBKKBTAHOAHJ-UHFFFAOYSA-N 427.504 5.369 30 10 IKEE C=CCN(CC=C)c1cc(N(Cc2ccccc2)Cc2ccccc2)nc(C(C)(C)C)n1 1867968560 TZXIMABAMBQEJZ-UHFFFAOYSA-N 426.608 6.159 30 10 IKEE CCCCc1ccc(-n2nnc(C#N)c2NC(=O)c2cccc(Oc3ccccc3)c2)cc1 1870153404 RPQSRYJNFAJDAM-UHFFFAOYSA-N 437.503 5.526 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)NC(C)C)c(=O)cc1CN(C)CCCC 1870511933 KZQUNXQETIJNDE-UHFFFAOYSA-N 449.680 5.124 30 10 IKEE CCCCCCCCn1cc(OCCCCCC)c(=O)cc1CN1CCC(CO)CC1 1870676494 IQWNSJQJJFVOEG-UHFFFAOYSA-N 434.665 5.372 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(C)cc2)cn1CCc1ccc(F)cc1 1870768044 JVOYLTQKEJGSNG-UHFFFAOYSA-N 446.566 5.292 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2)c(CNc2cccc([N+](=O)[O-])c2)cc1=O 1870833158 AFXYGRSZRLUDQI-UHFFFAOYSA-N 449.551 5.766 30 10 IKEE CCCCCCCCCCN1COc2c(cc3c(c2C)O/C(=C\c2ccccc2)C3=O)C1 1871355164 VKBDCJGTQGHVMK-UQQQWYQISA-N 433.592 6.904 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 1871385556 ADIBNEFUCBTMHG-USHMODERSA-N 446.502 6.508 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(O[C@H](C)C(=O)Nc4ccc(F)cc4)c3C)C2=O)c1 1871400590 FXGQLVZDSRWUFR-NQRZERFFSA-N 431.463 5.465 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OC(c3ccccc3)c3ccccc3)ccc2C1=O 1871430184 CERNBNOSSIFXSR-USHMODERSA-N 448.518 6.870 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OC(c3ccccc3)c3ccccc3)cc(C)c2C1=O 1871431261 LPYQBGBDUPIWAS-ULJHMMPZSA-N 438.548 7.150 30 10 IKEE Cc1ccc(CCOc2ccc3c(c2)O/C(=C\c2cccc(Br)c2)C3=O)cc1 1871437659 UMFUPWQYTQRQSY-UCQKPKSFSA-N 435.317 5.995 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O)Nc1c(F)cccc1F 1871440393 MPSDYEZKDPHEOC-JMIUGGIZSA-N 441.817 5.252 30 10 IKEE CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871448998 QQBXUDJRWLQGSR-ACMDDDSKSA-N 445.446 5.051 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(O)cc2)[nH]c(N(CCC)CCC)n1 1871718364 GRPSSWLHRITHMQ-UHFFFAOYSA-N 442.652 5.922 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1cc(C)ccc1C 1871856705 FEHAKGLIHVKTLZ-QFIPXVFZSA-N 446.588 5.063 30 10 IKEE COc1cccc(-c2csc([C@@H](C#N)C(=O)COc3cc(Cl)ccc3Cl)n2)c1 1872762752 VZAHYAGPBPHUJO-HNNXBMFYSA-N 433.316 5.381 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)c2c(F)cccc2Cl)n1 1872777045 DYZXNYIKUJRHCO-HNNXBMFYSA-N 442.943 6.399 30 10 IKEE N#C[C@@H](C(=O)Cc1c[nH]c2ccccc12)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872779866 SZMIEVAHOLEAIU-QHCPKHFHSA-N 449.535 6.503 30 10 IKEE N#C[C@@H](C(=O)/C=C/c1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(Cl)s2)cs1 1872789694 RAJDSHNBGBQIGS-FWEMWIAWSA-N 439.776 6.721 30 10 IKEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)Nc3ccc(CC)cc3)cc2[nH]1 1872806089 VZQYIKXUAHUSBR-UHFFFAOYSA-N 427.504 5.521 30 10 IKEE N#Cc1cccc(NC(=O)c2ccc(Cn3c(Cc4ccccc4)nc4ccccc43)cc2)c1 1873511031 MTMPXBXUNNFCCW-UHFFFAOYSA-N 442.522 5.799 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1 1873935219 MCMBYDIUNVHFQZ-NRFANRHFSA-N 449.591 6.484 30 10 IKEE CC(C)c1ccc(/C=N/n2c(CC34CC5CC(CC(C5)C3)C4)nnc2SCCO)cc1 1874245038 QGYNMLBSWOSIHE-WGOQTCKBSA-N 438.641 5.127 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(COc2cc(F)ccc2F)nnc1SCCC 1874262405 XMVDFENSRJXVAQ-AFUMVMLFSA-N 444.507 5.084 30 10 IKEE CCCOc1c(/C=N/n2c(CC3CCCCC3)nnc2SCCC)cccc1OC 1874408877 UQEKRJWXQWUVEX-JJIBRWJFSA-N 430.618 5.583 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3nc(O)c4ccccc4n3)nnc2C2CCCC2)c1 1874456373 NVPYHJSPUIYJIQ-AFUMVMLFSA-N 444.564 5.067 30 10 IKEE COCCc1nnc(SCc2cccc(C)c2)n1/N=C/c1ccc(Cl)cc1Cl 1874472161 PLYYGMWKZFWJKQ-FSJBWODESA-N 435.380 5.257 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1cccc(OC)c1OC 1874478699 NHXXTSWEDLSLRN-MFKUBSTISA-N 438.597 5.429 30 10 IKEE CCCCc1nnc(SCC(=O)OCC(C)C)n1/N=C/c1ccc(Cl)cc1Cl 1874479823 TUUGTPXAFMRMQS-LSHDLFTRSA-N 443.400 5.101 30 10 IKEE CC(C)(C)c1nnc(SCc2ccccc2Cl)n1/N=C/c1c(F)cccc1Cl 1874484031 AQPHJQJAGRASLC-BHGWPJFGSA-N 437.371 6.196 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCc3ccccc3F)nnc2C(C)(C)C)cc1 1874484388 SXABPFJGNTYNRT-WGOQTCKBSA-N 440.588 6.068 30 10 IKEE COCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1c(OC)ccc2ccccc12 1874498885 FZRGXYYLVKMJSR-AFUMVMLFSA-N 432.549 5.069 30 10 IKEE CCSc1nnc(COC)n1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1874499383 OVNGSXFTQCGHDA-MFKUBSTISA-N 432.549 5.151 30 10 IKEE COCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1c(F)cccc1Cl 1874502784 ZPMHBYNWKOWQHX-BRJLIKDPSA-N 440.931 5.545 30 10 IKEE CC(C)c1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc(C(C)(C)C)cc1 1874513715 MGMSVQACEGSZLQ-AFUMVMLFSA-N 427.017 6.527 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCc3cc(C)ccc3C)ccc3ccccc23)cc1C 1874574175 ZAPKZYDNGVDJCC-BUHFOSPRSA-N 436.551 7.249 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c1OCc1cccc(F)c1 1874575308 GOGONUCNJOHKQV-JXMROGBWSA-N 441.842 5.871 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccccc2)c1OCC(=O)Nc1ccc(C)cc1 1874578385 LOYYHUKXEYKKRX-JLHYYAGUSA-N 435.907 5.571 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 1874581804 GVTWITGHZGMBCO-RVDMUPIBSA-N 439.382 7.766 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cc(Cl)ccc2OCc2c(F)cccc2Cl)c(C)c1 1874589865 HADNAFNFSSYLTA-VQHVLOKHSA-N 443.345 7.533 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OCC(=O)Nc1cccc(C)c1C 1874596391 NHEBPOCWNGFODT-GXDHUFHOSA-N 429.516 5.534 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(OC)c1OCCc1ccccc1 1874612816 NLAUUNGWQXARSD-JLHYYAGUSA-N 434.482 6.220 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OCc3cccc4ccccc34)c(Cl)c2)c1 1874618093 JWCRPMNTKFZGNU-WYMLVPIESA-N 426.943 7.585 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc([N+](=O)[O-])c1OCCc1ccccc1 1874632990 GOAUBGLOWURDBI-ACCUITESSA-N 445.515 6.128 30 10 IKEE Cc1cccc(COc2ccc(/C=C/C(=O)c3cc(C(C)(C)C)ccc3C)cc2Cl)c1 1874635492 OUIVPJNMOJNAKV-JLHYYAGUSA-N 432.991 7.729 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1Cl 1874636409 ZDHCWYDUPVMVCA-RMKNXTFCSA-N 447.745 7.131 30 10 IKEE CCc1ccc(CCC(=O)Oc2cc(/C=C/C(=O)c3ccc(CC)cc3)ccc2OC)cc1 1874694691 PKWWRONUIWQVMT-SFQUDFHCSA-N 442.555 6.254 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3cccc(Cl)c3)c2)c(OC)c1 1874699082 CMZBJYMNXNKDEG-FMIVXFBMSA-N 436.891 5.401 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OC(=O)c1ccc(F)c(F)c1 1874699176 ICSWIYMEWZXNCL-WEVVVXLNSA-N 428.818 5.742 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)CC3CCCCC3)c2)c1 1874704392 MYIHCNJLAPUTSH-FMIVXFBMSA-N 438.520 5.484 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1Cl 1874716807 KNTXHEDXNLYTAW-RIYZIHGNSA-N 448.946 6.761 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(C)c(C)c3)c2)c2ccccc12 1874718326 NQGZICAAAKJJMT-NTCAYCPXSA-N 436.507 6.581 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC3CCCCC3)c([N+](=O)[O-])c2)cc1 1875106160 FNKQKXLZBQJLRB-FOWTUZBSSA-N 449.547 6.709 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)cc(Cl)c1OC(=O)C1CCCC1 1875119453 VQCFPTRZMHHTNR-OUKQBFOZSA-N 428.912 5.739 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)c1ccccn1 1875121685 CMMQPTMQTMXCBP-VAWYXSNFSA-N 433.891 5.587 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)c1cccc(C)c1 1875122703 IGZPXRYZXVFCGI-IZZDOVSWSA-N 441.310 6.426 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OCC)cc2)cc(OC)c1OC(=O)C1CCCC1 1875131420 XVCWFTYCAMNJDK-LFIBNONCSA-N 434.532 5.814 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccccc2C)c([N+](=O)[O-])c1 1875143075 HXOFWCIQYCUYMK-PKNBQFBNSA-N 431.444 5.336 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)C(C)(C)C)c(Br)c2)cc1 1875155327 CGQOXPFMOKFOGS-WUXMJOGZSA-N 429.354 6.420 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OC(=O)CCc1ccccc1C 1875163349 HBMLVSXKRMHMGG-KPKJPENVSA-N 436.454 5.716 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(N(C)C)cc3)c([N+](=O)[O-])c2)cc1C 1875174829 KYOYMUSVRAODCC-AWNIVKPZSA-N 444.487 5.393 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccco3)c(OC)c2)c(OCC)c1 1875179652 UGVUDMIKJGYVSW-XYOKQWHBSA-N 436.460 5.201 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@]1(C#N)Cc1c(Br)cccc1Br 1937831937 CSJSNIRSOKOZCV-KRWDZBQOSA-N 444.167 5.047 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCC1)[C@@H](C#N)c1ccc(Br)c(Cl)c1F 2036852237 ZEGLLMGMPJKACV-AWEZNQCLSA-N 431.733 5.986 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C12CCC2 2057184192 CGVZDDMDEVRJNC-DEOSSOPVSA-N 445.535 5.393 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)[C@@H]2CC[C@@H]21 2057585622 MFJXEFILCOAWNU-SDWUMEBZSA-N 445.535 5.249 30 10 IKEE CC[C@H](c1ccc(C2CC2)cc1)n1nc(C2CCC2)c(/C=N/O)c1I 2079039291 FKQKERHBFUXWTG-FNLSEGDXSA-N 449.336 5.440 30 10 IKEE CCCc1ccc([C@H](CC)n2nc(C3CC3)c(C=NO)c2I)cc1 2079846236 AEWWWTMNTFIDAG-KRWDZBQOSA-N 437.325 5.125 30 10 IKEE CC(C)[C@H](c1ccc(C(F)(F)F)cc1)n1nc(C2(C)CC2)c(C#N)c1Br 2079884004 GOLOGRMRQJXJCO-OAHLLOKOSA-N 426.280 5.833 30 10 IKEE CC(C)c1cc(C(F)(F)F)ccc1-n1nc(C2CCCC2)c(C#N)c1Br 2080306843 PDEPNLWKSDGQLX-UHFFFAOYSA-N 426.280 6.306 30 10 IKEE CCCCCC#CC[C@H](NC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2083434249 QJJIVHRJINBRGT-RPLLCQBOSA-N 442.644 5.392 30 10 IKEE N#C[C@@H](Nc1ccc(Br)cc1)c1c(Br)cccc1Br 2094994225 DZTRNHLMNLOFSC-CYBMUJFWSA-N 444.952 5.651 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCC)c2c(Cl)cccc2Br)C1 2126625552 DIURONRUWNQVPY-QGZVFWFLSA-N 443.813 5.614 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](O)Cc2cc(Cl)c(C)c(Br)c2)C1 2126686238 YLJOTGKGXQBOOB-QGZVFWFLSA-N 444.797 5.175 30 10 IKEE Brc1csc(CN=C2N[C@@H](c3ccccc3)CS2)c1Br 2150561077 FFACZAMKRACVNT-LLVKDONJSA-N 432.206 5.207 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCCC)c2cccc(Br)c2F)C1 2183007039 VPNJMHRFJUAYCJ-GOSISDBHSA-N 441.385 5.490 30 10 IKEE CCCCCCC[C@@H](O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229119817 YTCLUYXUOZIHMK-RBUKOAKNSA-N 428.411 5.606 30 10 IKEE CCc1ccc(NC(=O)OC(C)(C)C)c(C(=O)C#Cc2ccccc2Br)c1 2235721923 JMLUELDYHFVNDW-UHFFFAOYSA-N 428.326 5.593 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)c1cccc(NC(=O)OC(C)(C)C)c1 2235724114 VJCDLXBSQBOADX-HXUWFJFHSA-N 429.358 5.498 30 10 IKEE CN[C@H](C#Cc1ccccc1Br)[C@@H](C)CCC[C@@H](C)NC(=O)OC(C)(C)C 2235724423 IEQOJFVTFGIGJJ-SQGPQFPESA-N 437.422 5.108 30 10 IKEE CC(C)(C)OC(=O)NC[C@@]1(C)CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2249882848 JLEXDUAKUNELOQ-RPWUZVMVSA-N 429.561 5.405 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCC(=O)O)c1sc(Br)c(C)c1C 2262206208 NULCNHLFAPNMMS-QGZVFWFLSA-N 425.344 5.043 30 10 IKEE C=CCCC1([C@H](NC)c2sc(C)c(Br)c2C)CN(C(=O)OC(C)(C)C)C1 2266318883 XBXFOZZGILAUKW-QGZVFWFLSA-N 443.451 5.591 30 10 IKEE Cc1ccc([C@@H](O)C#Cc2cccc(Br)c2)c(NC(=O)OC(C)(C)C)c1C 2296232966 SGXYHWPBNNYDBR-IBGZPJMESA-N 430.342 5.498 30 10 IKEE CN[C@@H](C#Cc1cccc(Br)c1)c1cc(F)cc(NC(=O)OC(C)(C)C)c1 2296281041 HABJZUKZVXYXNU-IBGZPJMESA-N 433.321 5.247 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)C[C@H](NC(=O)OC(C)(C)C)[C@H](C)CC 2296287208 UEIMTBDGBASIAT-AHRSYUTCSA-N 437.422 5.108 30 10 IKEE COc1ccc(C=C2SC(=Nc3ccc(Cl)c(C(F)(F)F)c3)NC2=O)c(OC)c1 2296883272 QEQRJXQJVVELOU-UHFFFAOYSA-N 442.846 5.268 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc3c2[C@H](c2ccc(O)c(Cl)c2)CC(=O)O3)C1=O 2297591707 YKCFBZLHKFKMBQ-INIZCTEOSA-N 448.858 5.111 30 10 IKEE COc1ccc([C@@H](CNc2oc(C=Cc3ccc(F)cc3)nc2C#N)N2CCCC2)cc1 2297679791 RUHDXYLFANBTJU-HSZRJFAPSA-N 432.499 5.113 30 10 IKEE C=CCC(CC=C)C(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2301118779 GUSSRAFZVROADD-UHFFFAOYSA-N 426.601 5.274 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@H](C#N)[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 2304177202 VJBAGNNIVYZEKY-RTBURBONSA-N 427.545 5.110 30 10 IKEE Cc1ccc(-c2ccc(C=C3SC(=Nc4ccccc4)NC3=O)o2)c(Br)c1 2313507344 GPDAGVZDRUDMRF-UHFFFAOYSA-N 439.334 5.909 30 10 IKEE O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1 2313621610 ZSGLVUNFDMKQOD-UHFFFAOYSA-N 432.863 5.796 30 10 IKEE O=C(C=Cc1ccccc1)Oc1cccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)c1 2314429344 FDBCHIAXIKDIOM-UHFFFAOYSA-N 430.503 6.869 30 10 IKEE O=C1C(=Cc2ccc(-c3cccc(Br)c3)o2)Oc2ccc(Br)cc21 2314519163 BMYQOFANRCJRLD-UHFFFAOYSA-N 446.094 6.088 30 10 IKEE CCCCCCCCCn1c(CCCNC(=O)C=Cc2ccccc2)nc2ccccc21 2314609648 VHVMCGKQWUDWIN-UHFFFAOYSA-N 431.624 6.549 30 10 IKEE CCCCSc1nnc(CCC)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2321762477 YAXWYFZLFWQCJC-UHFFFAOYSA-N 443.016 6.237 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1cccc(Cl)c1)O3)CN(CCCOC(C)C)CO2 2322023973 RQYFDBMWNKLWPY-UHFFFAOYSA-N 427.928 5.232 30 10 IKEE CC[C@@H](C)N1COc2cc(C)c3c(c2C1)OC(=Cc1cn(CC)c2ccc(OC)cc12)C3=O 2322092204 SENZENJXXQGELQ-QGZVFWFLSA-N 446.547 5.545 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3c(cc4c(c3C)OCN(CCC(C)C)C4)C1=O)cn2C 2322436980 VQKXMQVNGXSAOQ-UHFFFAOYSA-N 446.547 5.310 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2ccccc2C)cc1 2322456022 VTFNAXRUNGMCKD-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2ccccc2F)c(C)c1 2322572997 IYJXQHLQAJYINB-UHFFFAOYSA-N 437.898 6.010 30 10 IKEE Cc1ccc(C)c(COc2ccc3ccccc3c2C=CC(=O)c2c(C)c(C)cc(C)c2C)c1 2322840656 CXSSPCOSMCNNSW-UHFFFAOYSA-N 448.606 8.165 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccccc1OCC(=O)NC1CCCCC1 2322926681 GFJUWOGTRXUVII-UHFFFAOYSA-N 441.955 5.381 30 10 IKEE Cc1cc(OC(=O)c2cccc(Br)c2)cc2c1C(=O)C(=Cc1ccccc1)O2 2322930480 VNEHPWWWIVRBBI-UHFFFAOYSA-N 435.273 5.593 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCc3cc(C)ccc3C)c2)cc1OC 2323057834 QZDGLBBHFKGOFM-UHFFFAOYSA-N 432.516 5.804 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3ccc(F)cc3)c2)cc1 2323193744 AAVKYTIADXYVNT-UHFFFAOYSA-N 431.507 6.037 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)C=Cc1ccc(C(C)C)cc1 2323232205 OMHMWDWNDAGMID-AREMUKBSSA-N 442.688 6.755 30 10 IKEE CCN(CC)C(=O)COc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1Cl 2323352098 QCNRSEYFRDOBOD-UHFFFAOYSA-N 447.962 6.150 30 10 IKEE CCCCc1nnc(S)n1N=Cc1ccc(OCc2ccccc2Cl)c(OCC)c1 2323499438 IMAWMZQXRNSYDX-UHFFFAOYSA-N 444.988 5.423 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1C 2323783296 IPJMZUDICHVAQD-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc(OC)c1OCC(=O)OC 2323890275 HPKJOYSAPSNKCW-UHFFFAOYSA-N 435.303 5.178 30 10 IKEE O=C1C(=Cc2ccncc2)Oc2c1ccc(O)c2CN(C1CCCCC1)C1CCCCC1 2324041905 BRULXVAMKCQIMW-UHFFFAOYSA-N 432.564 5.871 30 10 IKEE CC1(C)C[C@H]2C[C@@](C)(CN2Cc2c(O)ccc3c2OC(=Cc2cccc(Cl)c2)C3=O)C1 2324097604 FKQWWTHFJHQADH-HFJWLAOPSA-N 437.967 6.062 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)cc(Br)c1OCCCO 2324140682 DPLSRBJVCYAOMM-UHFFFAOYSA-N 441.321 5.268 30 10 IKEE C[C@@H](Oc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O)C(=O)Nc1ccc(Cl)cc1 2324610112 QQSFYZIQZGQZFW-QGZVFWFLSA-N 445.902 5.918 30 10 IKEE Cc1c(OCc2ccc(C(=O)OC(C)C)o2)ccc2c1OC(=CC=Cc1ccccc1)C2=O 2325388050 GJJQCBZIYHDBTN-UHFFFAOYSA-N 444.483 5.905 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)CC3CCCCC3)c2)cc1 2325710085 NSTPYADKYLONHR-UHFFFAOYSA-N 434.576 6.810 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1c(F)cccc1Cl)C2=O)Nc1ccccc1F 2325739051 LJVJENXSZCCGJP-UHFFFAOYSA-N 441.817 5.252 30 10 IKEE O=C(Cc1ccc(F)cc1F)Oc1cccc(C=CC(=O)c2cccc3ccccc23)c1 2325749800 QLTHBSQFVURMHC-UHFFFAOYSA-N 428.434 6.162 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cnccn3)c2)cc1 2325752004 CSFKDRCZZLIKFD-UHFFFAOYSA-N 444.531 5.941 30 10 IKEE C=CCSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1cccs1 2325883906 RGDBTJWILJWOBK-UHFFFAOYSA-N 434.590 5.665 30 10 IKEE CCCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccccc1C 2326021188 FWILJHAEFBZOBS-UHFFFAOYSA-N 428.989 5.636 30 10 IKEE CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccc(N(C)C)cc1 2326127349 OTUWROUPGMDQDW-UHFFFAOYSA-N 444.004 5.188 30 10 IKEE C=CCSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1ccc(OC)cc1 2326398389 QIPKTMVPTZRXKM-UHFFFAOYSA-N 436.581 5.075 30 10 IKEE C=CCSc1nnc(COc2cc(F)ccc2F)n1N=Cc1cccc(OCCC)c1 2327474962 MTYMNIDUNGPYEN-UHFFFAOYSA-N 444.507 5.084 30 10 IKEE CCSc1nnc(CCc2ccccc2OC)n1N=Cc1ccc(Cl)cc1Cl 2328685473 AAAPTWRVWZAFGK-UHFFFAOYSA-N 435.380 5.373 30 10 IKEE Fc1ccc(C=Nn2c(CCc3cccs3)nnc2SCc2ccc(F)cc2)cc1 2329637111 XAMWICXIOKRVJR-UHFFFAOYSA-N 440.544 5.578 30 10 IKEE COc1cccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCCc2ccccc2)c1 2329851877 MCTTYIMOSZVZEC-UHFFFAOYSA-N 446.551 5.234 30 10 IKEE Cc1cccc(CSc2nnc([C@@H](C)c3ccccc3)n2N=Cc2cccc(Cl)c2)c1 2330074491 FXBVSKQAIXCETB-IBGZPJMESA-N 447.007 6.566 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1ccc(C)cc1 2330705148 JKXFNPJYOUPSBX-UHFFFAOYSA-N 426.512 5.998 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)ccc1OC(=O)c1cc(C)cc(C)c1 2330795074 YCFYGHYQKVVFQB-UHFFFAOYSA-N 430.500 5.826 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2)cc1[N+](=O)[O-] 2331141863 USOBNDPHKZIIPC-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE COc1cccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C(F)(F)F)c1 2331149929 YBTTZPLPAYDGTP-UHFFFAOYSA-N 442.466 5.633 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 2331179239 BUKHCRCDJFENTK-UHFFFAOYSA-N 431.444 5.417 30 10 IKEE O=C(Cc1ccccc1F)Oc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1 2331238658 JEEQHYNGSUAACY-UHFFFAOYSA-N 429.274 6.177 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)cc3)c(Cl)c2)cc1 2331300899 YINQVFXZOFSCIE-UHFFFAOYSA-N 448.946 6.481 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)[C@@H](C)c2ccccc2)cc1 2331786958 JJHMEERXVURUCE-NRFANRHFSA-N 426.556 6.898 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccccc3C)c(OC)c2)cc1C 2331854747 GVGCXUKOVVOFCY-UHFFFAOYSA-N 430.500 5.744 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 2331989776 VTHREUWWTCMRFV-GHIUXRNCSA-N 448.563 5.714 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)[C@@H]1C[C@H]1C1CCCCC1 2357746638 ZHWHVOJEKXERBO-ZCNNSNEGSA-N 433.390 6.299 30 10 IKEE COc1ccc(-c2c[n+](CC(=O)O[C@H]3C[C@@H](C)CC[C@H]3C(C)C)c3n2CCCCC3)cc1 1799052 QPNKEIUKHMGPED-OPHFCASCSA-N 439.620 5.182 30 10 IKEE CCCCOc1ccc(CCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1OCC 2609112 OEOCBKAVVCYUCC-UHFFFAOYSA-N 426.582 5.647 30 10 IKEE O=C(/C=C\NNc1ccc(Cc2ccc(Cl)cc2Cl)nn1)/C=C/c1ccccc1 8762119 LVHQKFUUCNWOFK-XTGRIHELSA-N 425.319 5.087 30 10 IKEE C[C@@H](C#N)Sc1nc2sc3c(c2c(=O)n1-c1ccccc1C(F)(F)F)CCCC3 9334252 YNUZYKWWFQHTLP-NSHDSACASA-N 435.496 5.349 30 10 IKEE C=CCn1c(CCc2ccccc2)nnc1SCCC(=O)Nc1ccc([C@@H](C)CC)cc1 20829696 HYBOCXLSYVZNSK-FQEVSTJZSA-N 448.636 5.884 30 10 IKEE CC(C)Oc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2F)cc1 21252706 BAEWEHMOTNBTJI-GDJIYFAZSA-N 442.534 6.592 30 10 IKEE CC(C)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1 21255097 QXPILELFXABMFP-KMRXNPHXSA-N 442.990 7.443 30 10 IKEE O=C(/C=C\c1ccc(F)cc1)c1c(-c2ccccc2)c2cc(Br)ccc2[nH]c1=O 33405966 PZJIBQIIMGYKNA-JYRVWZFOSA-N 448.291 5.993 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccco2)c1 34933112 CWOFUKBMXUMWMH-NRFANRHFSA-N 437.879 5.110 30 10 IKEE C=CCN(CC(=O)N(Cc1ccccc1)Cc1ccco1)C(=O)Nc1ccc(SC)cc1 35766367 GFUMFUZCGXNAQS-UHFFFAOYSA-N 449.576 5.250 30 10 IKEE C=CCC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C(C)C 36346299 WAOLBZJAIINSAT-HSZRJFAPSA-N 437.559 5.650 30 10 IKEE CN(C)[C@@H](CNc1oc(-c2ccccc2[N+](=O)[O-])nc1C#N)c1ccc(C(C)(C)C)cc1 40374098 HDFBBWFEHVYCGV-NRFANRHFSA-N 433.512 5.134 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1cn(C)c4ccccc14)C3=O)CN(Cc1ccccc1)CO2 41589004 AWTUXPQRSUTTOF-MXAYSNPKSA-N 436.511 5.455 30 10 IKEE CCCCn1c([C@H](NC(=O)c2ccc(C#N)cc2)C(C)C)nc2cc(SCCC)ccc21 43255384 ZLZIQOUUBRCILP-XMMPIXPASA-N 448.636 6.337 30 10 IKEE O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)C(F)(F)C(F)(F)C(F)(F)F 59500538 KTRVBZQACQUJAN-UHFFFAOYSA-N 433.283 5.175 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H](CNc2nc3ccccc3n2Cc2ccccc2C#N)C1 95085313 JAJPHPDDKYAKOY-IBGZPJMESA-N 445.567 5.015 30 10 IKEE CN1C(=O)/C(=C\c2ccc(Br)o2)S/C1=N/c1nc(-c2ccccc2)cs1 101087699 IGGRKUKPYJPAFI-CPWICGBGSA-N 446.351 5.399 30 10 IKEE COc1ccc(/N=C2\S/C(=C\c3ccc(Cl)cc3)C(=O)N2[C@@H](C)c2ccccc2)cc1 102925421 BTNUFIUQQYFFJK-WDEXEUKASA-N 448.975 6.714 30 10 IKEE Cc1ccc(/C(=N\O)c2ccc(OCCOc3cccc(Br)c3)cc2)cc1 105900077 IFRNCZWEQREUMC-ZNTNEXAZSA-N 426.310 5.442 30 10 IKEE CCOc1cc(/C=N\n2c(S)nnc2-c2cccs2)cc(Cl)c1OCC(C)C 169912561 QFSYPYKZAPTXCM-FBHDLOMBSA-N 436.990 5.264 30 10 IKEE CSc1nnc(COc2ccccc2)n1/N=C\c1ccc(OCc2ccccc2)cc1 169916429 XMIQCJDSWODOFA-XYGWBWBKSA-N 430.533 5.040 30 10 IKEE COc1ccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 169925530 FEZKDNNFBXWVGS-VWLOTQADSA-N 427.500 5.106 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccc(O)cc2)cc1 169958131 HOQUEQVBZHSVHH-DEOSSOPVSA-N 427.500 5.607 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2cccnc2)cc1 170003715 NUJRNVUJXXWLBZ-VWLOTQADSA-N 440.543 5.481 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccc1 170048391 WLRUTBHSVRTMDV-AREMUKBSSA-N 449.506 5.627 30 10 IKEE CC(C)Oc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccccc2)cc1 170053887 KUWYLOOEXWRSCL-AREMUKBSSA-N 441.527 5.576 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2c[nH]c3ccccc23)cc1 170075207 DQPJJSVDGPIGKW-HSZRJFAPSA-N 426.447 5.398 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccccc2C)c1 170086673 JNDBAMTVSQYIAJ-VWLOTQADSA-N 441.527 5.793 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(C(C)(C)C)cc1 170149834 KSCNVRBROONWJD-OAQYLSRUSA-N 436.508 5.271 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2cccs2)ccc1OC(C)C 170162955 ACZPIUDGEVEVSN-QFIPXVFZSA-N 448.544 5.017 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccn1)c1ccc(Cl)c(Cl)c1 170173194 VYARUEYKVQOQBY-LJQANCHMSA-N 425.271 5.171 30 10 IKEE Cc1ccc(-c2nc(C3=C(N)N(c4ccc(OC(F)(F)F)cc4)CC3=O)sc2C)cc1 170179200 AFDCADXXDRMQFY-UHFFFAOYSA-N 445.466 5.042 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccccc1 170230152 AAPOYQCUWPCEGX-NFBKMPQASA-N 433.548 5.050 30 10 IKEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(C4CCCC4)[C@@H]3c3c[nH]c4ccccc34)ccc2O1 170256596 QGEHILPXZAMNGR-IZHWHUGBSA-N 442.515 5.012 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccco2)ccc1Cl 170281584 FCKYHLZZZJQPJL-FQEVSTJZSA-N 441.842 5.254 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccc(C)o2)cc1C 170303239 JQAHNUACCKSWQX-NRFANRHFSA-N 437.879 5.341 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(CC)cc2)c1 170389815 ZPUQIXHNSFGWAC-VWLOTQADSA-N 441.527 5.821 30 10 IKEE CC(=O)Oc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)cc(C)c2)c1 170407786 LFDRXXXRAQEQEU-JOCHJYFZSA-N 447.512 5.073 30 10 IKEE Cc1cc(-n2ncc(C#N)c2Nc2nc3ccccc3nc2Cl)nc2c(C)cccc12 170547586 ZWLRSLKBCMKCIY-UHFFFAOYSA-N 425.883 5.249 30 10 IKEE CCOc1ccc(Cl)cc1/C=C1/SC(=Nc2ccccc2)N(C[C@@H]2CCCO2)C1=O 252628826 SYSLHZGKUNLUIS-FJGBOTQNSA-N 442.968 5.522 30 10 IKEE CC1(C)CC(/N=C2/C=CC3=N[C@]45CCCC[C@H]4CC4=C(CCCC4)N5C3=C2)CC(C)(C)N1 254472933 VSDVPTFEBFDIBD-HSLDUUMBSA-N 432.656 6.065 30 10 IKEE CCCCCCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)/C(=C\c3cnn(C)c3)C[C@@H]12 254479459 WVXXEBLHRGPWQV-AJSQIZPGSA-N 446.635 6.498 30 10 IKEE Cc1ccc(N=Cc2c(OC(=O)c3ccc(Cl)cc3Cl)ccc3ccccc23)cc1 254798870 VXFPMAXBOPZQSN-UHFFFAOYSA-N 434.322 7.425 30 10 IKEE C=CCN=c1scc(-c2ccc(Br)s2)n1N=Cc1ccc(OC)cc1 254879864 SHAZRIANVZTIKE-UHFFFAOYSA-N 434.384 5.018 30 10 IKEE COc1ccc(OC)c(C=Nc2sc3c(c2C(=O)Nc2ccc(C)c(C)c2)CCCC3)c1 254905275 UJOSRMYCDNUJKD-UHFFFAOYSA-N 448.588 6.264 30 10 IKEE Cc1cc(Br)cc(Cl)c1OCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 312680891 ZKIINKHPURVJAO-UHFFFAOYSA-N 437.570 5.289 30 10 IKEE Cc1ccc(NC(=O)c2ccccc2OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 405000653 MFDNZFSLSGXGFC-UHFFFAOYSA-N 443.352 5.126 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Br)c(Cl)c1F 407151398 IFPATLSFDSBDOI-RHSMWYFYSA-N 449.792 5.752 30 10 IKEE CC(C)Oc1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526514049 ATGMDYIMUFGIEX-DEOSSOPVSA-N 428.463 5.542 30 10 IKEE CCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1c(Cl)cccc1Cl 526812093 ZCCDJBDBQCCLOP-YVNNLAQVSA-N 425.772 5.975 30 10 IKEE CCOc1ccc2ccccc2c1/C=N\n1c(C)nnc1SCc1cc(C)ccc1C 526818754 YWBKBZWRKQTVEV-YSMPRRRNSA-N 430.577 5.930 30 10 IKEE N#Cc1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2Cl)cc1 586172678 AQEOWDJZDUGVDK-UHFFFAOYSA-N 431.344 5.256 30 10 IKEE CCOc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2ccc(Cl)cc2C)cc1 586254412 RBFLDHNLLFGXHZ-UHFFFAOYSA-N 440.952 5.314 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(Br)cc(Br)c1 698409634 VVTTYFVSBIAWFL-XHDPSFHLSA-N 446.183 5.812 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCC1)[C@H](C#N)c1ccc(Br)c2cccnc12 698883851 ZOAOOYOLIGGLJV-GOSISDBHSA-N 430.346 5.742 30 10 IKEE COc1ccc(-c2nc(N=Cc3ccccc3Cl)sc2-c2ccc([N+](=O)[O-])cc2)cc1 1083925432 TYKZFGOBXNNINF-UHFFFAOYSA-N 449.919 6.798 30 10 IKEE O=C(Nc1ccc(OC(F)(F)F)cc1)ON=C(Nc1ccc(F)cc1)c1ccccc1 1615948334 FVHOCVGHEZATFQ-UHFFFAOYSA-N 433.361 5.747 30 10 IKEE CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)NC(C#N)(Cc1ccccc1)Cc1ccccc1 1616048028 RQKZHRZGQKCIGO-CTNGQTDRSA-N 427.375 5.442 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=Nc1cccnc1Cl 1772733147 KQLUVROGOHVIET-AXPJIBDUSA-N 434.746 5.288 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1OCCC 1861361320 KLLKDJABLIGKGO-XMMPIXPASA-N 438.612 5.293 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@@H]1c1ccc2c(c1)CCCN2C 1862394159 JOJQJKSNTUDHHX-VWLOTQADSA-N 444.575 5.176 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862395190 NVQPFRRMFFFNGK-RUZDIDTESA-N 448.607 5.293 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@@H]2c2ccc3c(c2)OCCO3)cc1 1862396572 IPSNFXQNEBWLEG-XMMPIXPASA-N 449.547 5.179 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(O)cc1 1862412183 YIFGDECAMNLNAF-QFIPXVFZSA-N 443.490 5.609 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccccn2)cc1 1862445135 PJYCBNRTVXBILS-QFIPXVFZSA-N 432.907 5.076 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(CC)cc1 1862489266 TUPQLZYMYDVZQB-OZXSUGGESA-N 447.619 6.803 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccccc2Cl)cc1 1862536076 QDKZKQSMJIBDOH-HSZRJFAPSA-N 449.909 5.820 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(OCCC)c(OCC)c1 1862541455 LSZFZXQHUVQHIU-XMMPIXPASA-N 449.547 5.201 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCC(C)C)c1 1862618703 HNFIBXCSDAYZKH-XMMPIXPASA-N 449.591 6.007 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1c(F)cccc1Cl 1862652254 GUUYRUOJHGDQEY-JOCHJYFZSA-N 437.898 6.011 30 10 IKEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccc(C)c1 1862661184 UATKLSWWUVWYFU-DEOSSOPVSA-N 434.580 5.039 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2ccc(Cl)cc2Cl)cc1 1862667816 KUWRQPSTDSBYTR-RBZFPXEDSA-N 448.346 5.076 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CC)cc1OCC 1862671276 NUKHDLWFBIGHGC-HSZRJFAPSA-N 437.536 5.206 30 10 IKEE Cc1ccc(NC2=C(c3cccc4ccccc34)C(=O)N(c3ccccc3C#N)C2=O)cc1C 1862853894 GXWFIIWHIGNLEK-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(C)c(C)c2)C1=O 1863253446 JMEUJZWPOYCACU-HSZRJFAPSA-N 429.564 5.726 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(F)cc2F)C1=O 1863316218 KXPOIHMGJKWTJR-UHFFFAOYSA-N 437.490 5.389 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCOCC)=C(c2cccc3ccccc23)C1=O 1863583744 MEDWIHGTHKGBKD-UHFFFAOYSA-N 436.596 5.296 30 10 IKEE CCCCCCCCCCCC(=O)Nc1ccc2c(c1)C(=O)N(c1c(C)cccc1C)C2=O 1865984726 CIUPRIOKDQCFTK-UHFFFAOYSA-N 448.607 6.963 30 10 IKEE CCCc1nc(Nc2ccccc2C#N)cc(N2CCc3[nH]c4c(OC)cccc4c3C2)n1 1868398894 SEEWBWUWXYDTPT-UHFFFAOYSA-N 438.535 5.097 30 10 IKEE CCCc1nc(Nc2ccc(C#N)cc2)cc(N2CCO[C@H](c3ccc(Cl)cc3)C2)n1 1868401149 PYMJRQLPJNQFNX-NRFANRHFSA-N 433.943 5.276 30 10 IKEE CCCCCCCCCCn1cc(OCCCC)c(=O)cc1CSc1nccn1C 1870182307 GFPAYVHVLYOCPQ-UHFFFAOYSA-N 433.662 6.194 30 10 IKEE CCCCCCCCCCn1cc(OCCOC(C)C)c(=O)cc1CN1CCC[C@H](C)C1 1870548607 LBAYGFDEJNJBJM-DEOSSOPVSA-N 448.692 6.025 30 10 IKEE C=CCOc1cn(CCc2c[nH]c3ccccc23)c(CNc2ccc(C)c(Cl)c2)cc1=O 1870809349 XWIYYZTWIMZFQL-UHFFFAOYSA-N 447.966 5.711 30 10 IKEE CCCCCCCCn1cc(OCC(=O)N[C@H](C)CC)c(=O)cc1CNc1ccccc1 1870963769 CBFCLBYOWVFTCG-OAQYLSRUSA-N 441.616 5.114 30 10 IKEE CCCCCCCCCCN=c1nc2c(cnn2C)c(Nc2ccccc2[C@@H](C)CC)[nH]1 1871298860 LUTCZHNDKCNCDT-FQEVSTJZSA-N 436.648 6.595 30 10 IKEE CC(C)OCCN1COc2ccc3c(c2C1)O/C(=C\c1c(Cl)cccc1Cl)C3=O 1871345347 KICDNGRGDLPYAN-JMIUGGIZSA-N 434.319 5.187 30 10 IKEE Cc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1 1871366368 BIWHFGCIYDGEHQ-HMSZGEISSA-N 427.412 5.138 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OC(=O)c3cccc([N+](=O)[O-])c3C)c2C)C1=O 1871373948 WXNQNOGXPXGCJR-XKZIYDEJSA-N 429.428 5.355 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OC(=O)/C=C/c4ccc(Cl)cc4)c3C)C2=O)cc1 1871375084 ROIKAAKTSPDEIJ-DYAARSSKSA-N 430.887 6.192 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OC(=O)c4ccc5nc(C)c(C)nc5c4)ccc3C2=O)c1 1871378785 FYMOQSNININIBU-ROTLSHHCSA-N 436.467 5.390 30 10 IKEE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871388016 GLJIJWNKRHEGGT-AJRXITOCSA-N 426.468 5.865 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(C)c2)C3=O)c1 1871389372 RZOMEHNABNRGLW-QRVIBDJDSA-N 442.467 5.454 30 10 IKEE CN(C)c1ccc(/C=C2\Oc3c(ccc(O)c3CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)C2=O)cc1 1871394286 OPFVHBCZRPHXNR-AJTBKVJLSA-N 446.591 5.475 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(C)o1)C2=O 1871402350 TYZVSYKAOIDRMC-VLZFXTDASA-N 445.515 5.789 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OCC(=O)N[C@@H](C)c4ccccc4)c3C)C2=O)cc1 1871424263 CRFXWYDEWPFZRQ-LIAPLOTISA-N 441.527 5.430 30 10 IKEE CCCCc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871454969 DCDRDJBIGFAVQQ-OYKKKHCWSA-N 445.515 5.873 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc(OCC(=O)Nc3ccccc3F)c2C)C1=O 1871459887 JOTXRSRRCZHULE-UCQKPKSFSA-N 447.462 5.167 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(C)c(C)c2)[nH]c(N2C[C@H](C)O[C@@H](C)C2)n1 1871525993 ANFPAEYJKUSLMF-SFTDATJTSA-N 440.636 5.040 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1C(C)C)[C@H](C)CC)S(=O)(=O)c1cccs1 1872461813 NJTDGDGQKUDGJC-XMSQKQJNSA-N 448.654 5.492 30 10 IKEE CCCCCCCCNC(=O)c1ccc2nc(-c3cccc(OC)c3OCCC)[nH]c2c1 1872736822 VBBISSGIAXODFI-UHFFFAOYSA-N 437.584 6.118 30 10 IKEE N#C[C@@H](C(=O)/C=C/c1ccccc1Cl)c1nc(-c2cccc(Br)c2)cs1 1872763454 MOLJQIAVKPHHAG-FDMDGMSGSA-N 443.753 6.116 30 10 IKEE Cc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3cccc(Br)c3)cs2)cc1C 1872763456 MPGRJYYCMVDKQS-GOSISDBHSA-N 441.350 5.445 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(Cl)c(Cl)c3)n2)cc1C 1872765016 DZFFOYNCVJXCNM-RRGWEWPQSA-N 443.355 6.324 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(F)c3)n2)cc1OCCC 1872766716 JXTFETONNNNYTD-IBGZPJMESA-N 438.524 6.017 30 10 IKEE CC(C)COc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 1872773824 YXMFRISKHJQZKL-QFIPXVFZSA-N 432.589 6.632 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(Cl)ccc3Cl)n2)c(OC)c1 1872783520 BNGKEXOZDOLCMA-HNNXBMFYSA-N 433.316 5.624 30 10 IKEE COc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)c(OC)c1 1872788219 XGTCCZQDWPLHDC-MRXNPFEDSA-N 447.343 5.553 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2C)C(=O)N([C@H](CC)CCCCC)C1=O 1873104136 KZPHPVYAAOSHPR-JOCHJYFZSA-N 426.645 6.384 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(N3CCCC3)cc2)=C(c2cccnc2)C1=O 1873269106 KWCWXVYYALBKRW-UHFFFAOYSA-N 446.595 5.234 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc([N+](=O)[O-])cc2)=C(c2ccccc2)C1=O 1873413299 VWZQXTQUAJAOHB-UHFFFAOYSA-N 449.551 5.928 30 10 IKEE CCCSc1nnc(C(C)C)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1873503647 UOXLUPKDJBYLGF-ZVHZXABRSA-N 428.989 6.018 30 10 IKEE CCCCCCCCNC(=O)c1cc2c(N3C[C@H](C)C[C@@H](C)C3)ncnc2n1CCC 1873571946 LYJUVQKBCUVJQF-WOJBJXKFSA-N 427.637 5.414 30 10 IKEE C=CCn1c(C(=O)Nc2ccc3cc[nH]c3c2)cc2c(NCCc3ccccc3)ncnc21 1873606988 JBTRXGCGNDWYEZ-UHFFFAOYSA-N 436.519 5.006 30 10 IKEE CCOc1ccc(Cc2nnc(SCC)n2/N=C/c2c(Cl)cccc2Cl)cc1 1874303652 LKZJMBVXKCUNPH-YDZHTSKRSA-N 435.380 5.569 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccc[nH]2)cc1C 1874319853 MSOBDVZOBGJCFO-LGJNPRDNSA-N 435.528 5.116 30 10 IKEE Cc1ccc(/C=N/n2c(CCOc3ccccc3)nnc2SCc2ccc(C)cc2)cc1 1874345831 JIYSVVQVTKRLAJ-OVVQPSECSA-N 442.588 5.691 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCCC)nnc2-c2ccccc2Cl)cc1 1874368109 VLCUOQQOUGPAPC-LFVJCYFKSA-N 428.989 6.162 30 10 IKEE Cc1ccsc1/C=N/n1c(Cc2ccc(F)cc2)nnc1SCc1ccc(F)cc1 1874378181 HSDIEOMZMIUWTN-DHRITJCHSA-N 440.544 5.692 30 10 IKEE Cc1ccc(C)c(CSc2nnc(COc3ccccc3)n2/N=C/c2ccccc2C)c1 1874384226 FQNIQGTZTSLPJG-JVWAILMASA-N 442.588 5.957 30 10 IKEE Cc1cccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccc(C(=O)O)cc2)c1 1874406911 VZYOHHKLMYRCQC-WGOQTCKBSA-N 448.592 5.582 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(Cc2cccs2)nnc1SCc1ccccc1 1874412368 LCUUYOXBJFUUNJ-PCLIKHOPSA-N 448.617 5.892 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(-c2ccccc2)n1/N=C/c1cccs1 1874429232 YIFZZNVUIGPFOQ-FSJBWODESA-N 445.400 6.488 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccc(F)cc1F 1874439374 YFLAOYSNKWKHOL-WYMPLXKRSA-N 445.495 5.228 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(C)(C)C)n2/N=C/c2ccc(Cl)cc2Cl)c1 1874484411 VAYSSINUMLWLLY-BRJLIKDPSA-N 447.435 6.674 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2cccc(C)c2)cc1 1874493966 NUNZTCAZSUOUMG-MFKUBSTISA-N 433.581 5.029 30 10 IKEE CCCOc1ccccc1/C=N/n1c(CCC)nnc1SCc1cccc(Cl)c1 1874510081 FNAZBSSOVSSILK-BUVRLJJBSA-N 428.989 5.847 30 10 IKEE CCCNC(=O)COc1c(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cccc1OC 1874586363 KHRVIWCLCZLESN-SAPNQHFASA-N 445.515 5.289 30 10 IKEE C=CCOc1c(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc(Br)cc1OC 1874591324 FGAKUDYLGNWZCP-BQYQJAHWSA-N 431.326 5.544 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3cccc(C)c3)c2)cc1F 1874597448 NGMLXAHEIDQPBP-JXMROGBWSA-N 449.478 5.065 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OCC(=O)Nc1cc(C)cc(C)c1 1874617901 ZLOWBWXOWCBCHB-JXMROGBWSA-N 443.543 5.842 30 10 IKEE CCCCCCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCC 1874664428 KHXACDCIUGWLTI-XMMPIXPASA-N 427.633 5.642 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1OC(=O)CCCSC 1874694977 FFMDKOIOOZRTGR-WEVVVXLNSA-N 439.360 5.947 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OC(=O)COc1ccc(C)cc1C 1874703778 HIDNBXPDEULVCN-UXBLZVDNSA-N 448.490 5.640 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc(F)c2)c(Cl)c1)c1ccc2c(c1)CCCC2 1875097324 FZXYCQJSHFCFNL-XYOKQWHBSA-N 434.894 6.473 30 10 IKEE CCCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccc(OC)cc2)cc1OC 1875113254 VYAGVPROKKNBOV-IZZDOVSWSA-N 433.298 5.068 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(F)c(F)c2)c(Cl)c1 1875118665 IGEJZCKODBZDJW-UXBLZVDNSA-N 428.818 5.742 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OC(=O)c1ccc(F)c(F)c1 1875127661 RAGILDUVPQCVSZ-JXMROGBWSA-N 428.818 5.742 30 10 IKEE O=C(Cc1ccc(F)cc1F)Oc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1 1875133772 BHCOZMIBMWEJNI-XCVCLJGOSA-N 447.264 6.316 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(Cl)c3)c(Cl)c2)cc1F 1875153213 WGTUWDHQYAWJBT-VMPITWQZSA-N 445.273 6.256 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)[C@@H](C)c1ccccc1 1875156639 DYLYEXRDULXTGU-QGRTWZNFSA-N 428.528 6.424 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C(F)(F)F)c(Cl)c1)c1ccc(Oc2ccccc2)cc1 1875165530 MOPLPPFBWDWQSH-WUXMJOGZSA-N 446.808 6.496 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc(OC)c1OC(=O)CC(C)C 1875169778 RXPHCTJHDGLBGH-CMDGGOBGSA-N 426.509 5.177 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2ccc(OC(=O)CC(C)C)c([N+](=O)[O-])c2)cc1Cl 1875174329 LWMZCHSWTBPXSJ-FNORWQNLSA-N 447.871 5.113 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(C)c(C)c2)cc1 1875180691 UDLIQCDKMXXTKT-XYOKQWHBSA-N 434.919 6.389 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cc(F)ccc3C(F)(F)F)cc21 1889606206 TYXXASGTRDMLAY-UHFFFAOYSA-N 436.405 5.034 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@H](C#N)[C@]1(C)CCCCN1C(=O)OC(C)(C)C 1890134856 KJNXFBOTAJSOHP-CPJSRVTESA-N 443.588 5.496 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(-c4ccc(C)cc4)cc3)ccc21 1891185703 OAGLCNPPTPPFEF-UHFFFAOYSA-N 440.543 5.852 30 10 IKEE CCCCCCC[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](F)C(=O)O 1927472527 OFEMWOADDLGDME-BVAGGSTKSA-N 441.543 6.067 30 10 IKEE CC[C@H](NC(=O)OC(C)(C)C)[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1cccc(OC)c1 1941060528 BZNIYROBEZDFIP-FDDCHVKYSA-N 433.549 5.022 30 10 IKEE CC[C@](C#N)(CCNC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)c1ccccc1OC 1942388239 JXDNRGIFJWHRBA-HSZRJFAPSA-N 433.549 5.024 30 10 IKEE C#CC[C@H](C[C@H](CCCN(Cc1ccccc1)C(=O)OC(C)(C)C)NCCC)C1CC1 2020092541 KBDKTEGOLFLAEM-RPBOFIJWSA-N 426.645 6.012 30 10 IKEE C=C(COCc1ccccc1)C(=O)[C@@]1(O)CN(Cc2ccccc2)C2(CCCCCC2)C1 2038916651 IXMLXKJBWPGVTP-NDEPHWFRSA-N 433.592 5.059 30 10 IKEE CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2067956382 MUGXUIHKCCKANP-CYFREDJKSA-N 447.551 5.495 30 10 IKEE CC(C)c1c(C(F)(F)F)nn2c(Cl)cc(-c3ccc(F)c(C(F)(F)F)n3)nc12 2081143124 IKCDIWJVISCAPE-UHFFFAOYSA-N 426.723 5.745 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)C2(C#N)[C@H](C)CN(Cc3ccccc3)C[C@H]2C)c1 2099267756 XOXPCBNRVQNROM-NHCUHLMSSA-N 449.595 5.487 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(Cl)ccc(Br)c1F 2122155135 YWVBUVJPEVFHDT-PBHICJAKSA-N 447.776 5.199 30 10 IKEE N#Cc1ccc(NC[C@]23CC[C@H]2CCCN3Cc2ccccc2)c(F)c1Br 2145616992 MOZXBODUKUFREU-XMSQKQJNSA-N 428.349 5.317 30 10 IKEE COC[C@@]1([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)CC=CCC1 2166535765 YWLVJRSPWPXGOM-WIYYLYMNSA-N 435.362 5.456 30 10 IKEE C[C@H]1Cc2ccccc2[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2185484349 FTBWVKCLBBEBOO-OYHNWAKOSA-N 427.342 5.802 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1)NCC 2224059308 KSZJVHFBABFUMX-DQEYMECFSA-N 438.612 5.436 30 10 IKEE C=CCCCCC[C@H](O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229102877 PVBZGDGURJGAIL-OALUTQOASA-N 426.395 5.382 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)C#Cc2cccc(Cl)c2)c1 2231004401 DGDOGTDIOVKHRR-UHFFFAOYSA-N 434.717 5.684 30 10 IKEE CN[C@H](C#Cc1ccccc1Br)CC1(NC(=O)OC(C)(C)C)CCCCC1 2235721451 DKRCUCWNYWOJPN-GOSISDBHSA-N 435.406 5.006 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C 2235730413 OQOAUBWQIOBOLH-PKOBYXMFSA-N 437.422 5.108 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2cc(C)cc(Br)c2)c1 2237248227 IEKRDIDQFACSHL-IBGZPJMESA-N 431.330 5.773 30 10 IKEE Cc1cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2241479357 WOGRRWKVBMQARE-UHFFFAOYSA-N 441.380 5.137 30 10 IKEE CCN[C@H](C#CC1CCCC1)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2260980242 JJBXTNJQMGCRIX-SHQCIBLASA-N 440.628 5.002 30 10 IKEE C#CCC[C@H](OCCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2274762412 RFAFRQRGXXMWTN-VWLOTQADSA-N 444.527 5.790 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(Nc2cccc(Br)c2)C[C@@H]2CCCC[C@@H]21 2279689462 VHPOQQPADZBQHQ-XERREHJYSA-N 434.378 5.323 30 10 IKEE CCOc1ccc(Cl)cc1C=C1SC(=Nc2ccccc2)N(C[C@H]2CCCO2)C1=O 2294002168 SYSLHZGKUNLUIS-LJQANCHMSA-N 442.968 5.522 30 10 IKEE CCSC1=NC(=Cc2cc(Br)ccc2OCc2ccccc2)C(=O)S1 2295502364 VQLDWEOTGXGYEB-UHFFFAOYSA-N 434.380 5.752 30 10 IKEE CN[C@@H](C#Cc1ccc(Br)cc1)c1cc(NC(=O)OC(C)(C)C)ccc1F 2296309339 UOPQAUHMZXRAOB-IBGZPJMESA-N 433.321 5.247 30 10 IKEE CC(C)[C@@H](CCNC(=O)OC(C)(C)C)CC[C@H](N)C#Cc1ccc(Br)cc1 2296309639 YNHYMSGWUQZXPN-UYAOXDASSA-N 437.422 5.095 30 10 IKEE COc1ccc(C=C2Oc3cc(OCc4cc(C)ccc4C)ccc3C2=O)c(OC)c1OC 2296844789 HLXLSHVDGRILLH-UHFFFAOYSA-N 446.499 5.524 30 10 IKEE CCCN1C(=O)C(=Cc2cc(Br)ccc2O)SC1=Nc1ccc(OC)cc1 2297462759 FSAKZRQTWREXPL-UHFFFAOYSA-N 447.354 5.177 30 10 IKEE Cc1ccc(C)c(COc2ccc3c(c2)OC(=Cc2ccc(Cl)c(Cl)c2)C3=O)c1 2314437393 LJBZSJDVKPHLIE-UHFFFAOYSA-N 425.311 6.805 30 10 IKEE O=C(C=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(NC(=O)c2ccco2)cc1 2314457096 ZVAPKOOOZKQPFZ-UHFFFAOYSA-N 428.400 5.596 30 10 IKEE CCN[C@H](C#CC1(OC)CCCCC1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2316388453 SHNIPIVLTIFIFE-DEOSSOPVSA-N 442.644 5.535 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(SCc2ccccc2Cl)nnc1C1CC1 2320858387 MAWYMSSXEAFLQV-UHFFFAOYSA-N 426.973 5.771 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C2CC2)c1 2320921002 LSIYLAWXSAIKDE-UHFFFAOYSA-N 444.963 5.911 30 10 IKEE O=C1C(=Cc2ccccc2OC(F)F)Oc2cc(OCc3ccc(Cl)cc3)ccc21 2321767401 HLOLCQFPVDDMAP-UHFFFAOYSA-N 428.818 6.137 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCc4ccc(Br)cc4)c3C)C2=O)o1 2321844639 IOFZUOQLRSHXKY-UHFFFAOYSA-N 425.278 5.854 30 10 IKEE CCCOc1c(C=Nn2c(S)nnc2CCc2cccc3ccccc23)cccc1OC 2322206861 CQVOGPOBZJKEJZ-UHFFFAOYSA-N 446.576 5.185 30 10 IKEE CCc1ccc(C=Nn2c(S)nnc2CCCOc2ccc(Cl)cc2Cl)cc1 2322286596 QDEJNQXNPPAYSC-UHFFFAOYSA-N 435.380 5.330 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2c(C)cccc2C)c(C)c1 2322572860 DLNQFSKGXNYOLL-UHFFFAOYSA-N 447.962 6.487 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc12 2322638452 AGTUNPZPHDKXLW-UHFFFAOYSA-N 442.942 7.285 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc(C)c(C)c1 2322899779 OGFLIQXZAUQIHK-UHFFFAOYSA-N 427.972 5.880 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCc3cccc4ccccc34)c2)cc1C 2323078649 GZIRUNJXWHNPDN-UHFFFAOYSA-N 438.523 6.641 30 10 IKEE Cc1c(OC(=O)c2ccc(F)c(F)c2F)ccc2c1OC(=Cc1cccc(F)c1)C2=O 2323127213 WLIXDUDJZNYGTN-UHFFFAOYSA-N 428.337 5.387 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4C)ccc3C2=O)cc1 2323260379 ZZVWERLKJOSBDT-UHFFFAOYSA-N 445.427 5.137 30 10 IKEE C=C(C)COc1c(Br)cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1OC 2323378827 BBQJBWATWSTZGV-UHFFFAOYSA-N 432.270 5.217 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OCC(=O)OC 2323532249 AVVRVPMAVNGLIB-UHFFFAOYSA-N 435.303 5.178 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1 2323823853 SWAVOZGLEBGWDU-UHFFFAOYSA-N 426.468 5.867 30 10 IKEE C=CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)c1 2323854725 SVXMTQOFKFKULC-UHFFFAOYSA-N 446.886 6.049 30 10 IKEE COc1cccc(C=NNc2nc(-c3cccs3)cs2)c1OCc1cccc(C)c1 2323858300 DHZWGWHLQRFUMP-UHFFFAOYSA-N 435.574 6.214 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc([N+](=O)[O-])c1OCC 2324224443 JSTKBBJBGFFWHP-UHFFFAOYSA-N 427.497 5.594 30 10 IKEE C[C@@H](Oc1ccc2c(c1)OC(=Cc1ccccc1Cl)C2=O)C(=O)Nc1ccc(F)cc1 2324305814 KGSGGCZJGVJOJO-CQSZACIVSA-N 437.854 5.501 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2OC)ccc1OCc1ccc(C)cc1 2324474987 CUHCBAMTJKUCHI-UHFFFAOYSA-N 432.516 5.886 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(OCC)c(OCC)c([N+](=O)[O-])c2)c(OCC)c1 2324495491 FPSSNXZHNKCIMI-UHFFFAOYSA-N 429.469 5.086 30 10 IKEE CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccc(C)o2)C3=O)cc1 2324522182 YXEJWVBJLHQCHM-QGZVFWFLSA-N 447.487 5.317 30 10 IKEE Oc1ccccc1C=Nn1c(Cc2ccccc2)nnc1SCc1cccc(Cl)c1 2325494570 XRLZWPHAMLISHN-UHFFFAOYSA-N 434.952 5.402 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C)c(Cl)c4)cc(C)c3C2=O)c1 2325729529 FLPDFVUITIILQB-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2cccc(OC(=O)c3ccccc3OC)c2)c1 2325758308 KNXVXGXTOGYLIH-UHFFFAOYSA-N 446.499 5.608 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc1OC(=O)c1ccccc1 2325763108 WMOJCWSTUCKAAY-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1N=Cc1ccc[nH]1 2325817549 VUDWIQZHXBSAHP-UHFFFAOYSA-N 439.585 5.042 30 10 IKEE CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1cccc(Cl)c1 2325904450 VKMVDYLLGNZXAK-UHFFFAOYSA-N 443.016 6.111 30 10 IKEE CCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccccc1OC(C)C 2326589240 WYBYENUBASYLMT-UHFFFAOYSA-N 444.604 5.998 30 10 IKEE CCOc1ccccc1OCc1nnc(SCc2ccccc2C)n1N=Cc1ccco1 2326807210 PCCQFQFXCHRGMB-UHFFFAOYSA-N 448.548 5.332 30 10 IKEE CCCOc1ccccc1C=Nn1c(COc2ccc(CCC)cc2)nnc1SCC 2327356024 SXBOEENVHQUNSX-UHFFFAOYSA-N 438.597 5.593 30 10 IKEE C=CCSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1cccc(OCCC)c1 2328568538 WXPXKTILHAWTTJ-UHFFFAOYSA-N 436.581 5.217 30 10 IKEE CCSc1nnc(COc2cccc(C)c2C)n1N=Cc1ccc(N(CC)CC)cc1 2328841471 BRJIQNRNUJLACV-UHFFFAOYSA-N 437.613 5.314 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccc(C)cc3)n2N=Cc2cccc(F)c2)cc1 2329241448 KKQNKZGQQIBKEP-UHFFFAOYSA-N 446.551 5.500 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccccc2F)n1N=Cc1cccc(F)c1 2329727647 NMCKKDZJTBDGJR-UHFFFAOYSA-N 434.515 5.630 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccccc2F)n1N=Cc1ccc(F)cc1 2329727779 YOTUHVWTLNQWQM-UHFFFAOYSA-N 434.515 5.630 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(F)cc3)n2N=Cc2cccc(F)c2)cc1 2329796222 ARFIJEAIGNLUSN-UHFFFAOYSA-N 434.515 5.630 30 10 IKEE Cc1cccc(CSc2nnc(CC3CCCCC3)n2N=Cc2cccc(Cl)c2)c1 2330246119 BKMOMQOIDNINDF-UHFFFAOYSA-N 439.028 6.537 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3)c(Cl)c2)cc1C 2330862844 VMBFFSXCNBPQKG-UHFFFAOYSA-N 434.919 6.091 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1)c1cccc(Br)c1 2330910580 XZHMAVVHMVHXNI-UHFFFAOYSA-N 441.708 6.218 30 10 IKEE COc1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2C2CCCC2)cc1OC 2331044525 XYGZYZNSLBTOIT-UHFFFAOYSA-N 436.581 5.436 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)c1cc(Cl)ccc1Cl 2331184735 UDTUCZBCLJWSDL-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE COc1cc(C=Nn2c(SCc3ccccc3C)nnc2C2CCC2)cc(Cl)c1O 2331490111 SIKSPHPLCGVWMG-UHFFFAOYSA-N 442.972 5.396 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cncc(C)c3)c(Cl)c2)c(C)c1C 2331613471 RTWLBHRYPMMKMT-UHFFFAOYSA-N 435.907 5.784 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)c1cccc(F)c1 2331630186 ZYYJXPIKROOAFD-UHFFFAOYSA-N 448.490 5.965 30 10 IKEE COc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1 2331644910 XNQUYQHULKUHNC-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C3CC3)n2N=Cc2cccc3ccccc23)c1 2331729252 SUKCZHUUPKGQRQ-UHFFFAOYSA-N 441.560 5.230 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C(C)(C)C)ccc3C)cc2)cc1 2331780539 LZSRLZIOEFQYQJ-UHFFFAOYSA-N 428.528 6.416 30 10 IKEE CC1(C)C[C@@H]1C#C[C@@H](N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2339566445 JTCXHNCIVBHWAX-BXTSTYNKSA-N 441.571 5.255 30 10 IKEE Cc1cc(CNc2ccc(OCc3ccccc3)cc2)cc(B2OC(C)(C)C(C)(C)O2)c1 2343645584 VOZMQLXGWOOAHZ-UHFFFAOYSA-N 429.369 5.485 30 10 IKEE CCCN[C@H](C#C[C@@H]1CC1(C)C)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2365089370 YVIBBBUXQBSPMQ-DNVCBOLYSA-N 435.406 5.886 30 10 IKEE Cc1cccc(/N=C2\N=C(O)/C(=C3\C(=O)Nc4ccc(Br)cc43)S2)c1C 1840398 ZTRYIOARRQMXQS-FOCLMDBBSA-N 428.311 5.120 30 10 IKEE C=C(C)CN1C(=O)[C@H](C)Oc2ccc(NC(=O)CC(c3ccccc3)c3ccccc3)cc21 12169925 JTIMWWAKKZXYDF-FQEVSTJZSA-N 440.543 5.537 30 10 IKEE COc1ccccc1/N=C1/SCCCN1C(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 13098612 WJQBTRQHJWKXAD-WXRBUQAXSA-N 433.577 5.568 30 10 IKEE C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1cccc(Cl)c1 14069132 VBLWLOOBCZHYBJ-UHFFFAOYSA-N 433.364 5.477 30 10 IKEE Cc1ccccc1CSc1nc2n(n1)[C@H](c1cccs1)C1=C(CC(C)(C)CC1=O)N2 20850061 DNIAJIIBCUUTBY-HXUWFJFHSA-N 436.606 5.598 30 10 IKEE COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(N(C)C)cc2)c1 20881548 LXPLNOJEHXGKEE-NGOKVRLYSA-N 439.559 5.741 30 10 IKEE C[C@@H]1CC/C(=C\c2c(Cl)cccc2Cl)C(=O)/C1=C\c1c(Cl)cccc1Cl 25761553 OMNFGJKJTUMWAP-GPZXOPNRSA-N 426.170 7.766 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4cc(OC)cc(OC)c4)c3C)C2=O)cc1 41292741 VBOFKWYVHRCGGN-MSXFZWOLSA-N 444.483 5.410 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3csc(-c4ccccc4)n3)ccc21 49507309 MVUYICHYCHHDGN-UHFFFAOYSA-N 433.533 5.000 30 10 IKEE CCOC(=O)c1ccc(-c2ccc(/C=C3/S/C(=N/c4ccc(C)cc4)NC3=O)o2)cc1 59433536 JLYUOWYIFGZUEL-KGENOOAVSA-N 432.501 5.323 30 10 IKEE COC(=O)c1c(/N=C/c2ccc(Br)cc2)sc(Cc2ccccc2)c1C 59460279 PBPYKSLMUQKABE-YDZHTSKRSA-N 428.351 5.947 30 10 IKEE COc1cc(C(=O)/C=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)ccc1OCC(=O)O 96792856 OGMYOIRMTYFXIK-DAXSKMNVSA-N 447.270 5.622 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c(OC)ccc3ccccc13)N2 100367599 QKJBRMGKWPBSME-OYPUMOIUSA-N 441.615 8.024 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)S/C1=N/c1cccnc1 101124779 LNMQPNCKMNFJOK-GOESLVMASA-N 429.545 5.593 30 10 IKEE CCCCCCCCCCCn1c([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21 102213356 PFOKSHUNQUWGNF-RUZDIDTESA-N 445.651 7.083 30 10 IKEE O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)O/C(=C/c1ccc(Cl)cc1Cl)C2=O 103022200 ZHSXGZNCWRLPAZ-MNZIXWNWSA-N 437.278 6.228 30 10 IKEE CCCCCCCCc1nc(N)c(C#N)c(-c2ccccc2Cl)c1CCCCCCC 105656479 RJGWVJKYKPFFHH-UHFFFAOYSA-N 440.075 8.272 30 10 IKEE Cc1ccc(S(=O)(=O)/N=C(\Sc2ccc(Br)cc2)c2ccccc2)cc1 105914892 GAJRSHXSWLFXOO-XDOYNYLZSA-N 446.391 5.685 30 10 IKEE N#Cc1ccc(-n2ncc3c(-c4cnc5ccccc5c4)cccc32)cc1Br 113794253 RMXBEQONYZCPJM-UHFFFAOYSA-N 425.289 5.875 30 10 IKEE C=CCn1c(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)c(C)c2cc(C(C)C)ccc21 169874218 YYYDTXHZPSIPEQ-OAHLLOKOSA-N 449.620 5.797 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2ccccc2C)c1 170037504 GGEJKPWQNYRDHA-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(O)cc2)cc1C(C)C 170132711 UDEAZQLKAINDAN-XMMPIXPASA-N 443.499 5.307 30 10 IKEE Cc1ccc(C)c(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 170137241 ZERIVJDNTPEVKW-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1cccs1 170159024 AROHXTXWRKTECQ-LJQANCHMSA-N 425.893 5.193 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccccn2)c1 170172420 FLLJBTPAXZSYNO-VWLOTQADSA-N 434.495 5.635 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@H]1c1ccc(Cl)cc1 170236336 CTMMJLTUFIWSHL-LJQANCHMSA-N 434.319 5.380 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(F)cc2)c1 170238166 SXKOROKTOOKIMT-HSZRJFAPSA-N 449.453 5.535 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(F)cc2)c1 170238168 SXKOROKTOOKIMT-QHCPKHFHSA-N 449.453 5.535 30 10 IKEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)cc4)[C@H]3c3ccccc3F)ccc2O1 170248318 WQVMMDSHCHCRLF-FATZIPQQSA-N 447.437 5.071 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccc2F)cc1 170249724 XSEBBGVKTZERRO-HSZRJFAPSA-N 431.463 5.316 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2F)cc1Cl 170251596 JZFGFIIPCSWJGC-OAQYLSRUSA-N 443.902 5.399 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2C2CCCCC2)cc1 170266477 KMOIHVSKITYLOY-DEOSSOPVSA-N 428.532 5.641 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2c2ccc(Cl)cc2)o1 170303102 AEMBQJQVRXIPEX-QHCPKHFHSA-N 447.918 5.903 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccc(C)o2)c(C)c1 170304835 MNZZBEYJDGOFTF-RUZDIDTESA-N 437.495 6.141 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2c2cc(F)ccc2F)o1 170306133 PSLGCWUOYOHNSX-HSZRJFAPSA-N 449.453 5.528 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3sc(-c4ccccc4)nc3C)=C(O)C(=O)N2C2CCCC2)o1 170311058 OLYJGNJXZORGHU-FQEVSTJZSA-N 448.544 5.541 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@@H]1c1c(C)[nH]c2ccccc12 170312145 ANKFYMIRBXYJRX-DEOSSOPVSA-N 446.547 5.499 30 10 IKEE COC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 170468087 YHDDUXGORLTRTB-HSZRJFAPSA-N 449.547 5.286 30 10 IKEE C=CCn1c(SCC(=O)Nc2cccc(OCC)c2)nnc1-c1ccc2ccccc2c1 253568242 KYUWTCQZDGITSS-UHFFFAOYSA-N 444.560 5.414 30 10 IKEE CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 253618021 LBERVHLCXUMDOT-XSAAJHIVSA-N 442.684 7.571 30 10 IKEE CCCCCCCOc1ccc(C=NNC(=S)NCc2ccc(OC(C)C)cc2)cc1 254506129 KYQDARWHPWETHM-UHFFFAOYSA-N 441.641 5.821 30 10 IKEE CC(=Nc1ccccc1)C1=C(O)C=C(c2ccccc2)C[C@H]1c1ccc(Br)cc1 254741884 NXPSCNHCWFSEKP-DEOSSOPVSA-N 444.372 7.625 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1ccc(O)c(OCC)c1 526802825 ODWRDAPFZGQSHE-OYKKKHCWSA-N 428.533 5.039 30 10 IKEE CCCOc1ccc(/C=N\n2c(CC)nnc2SCc2cccc(Cl)c2)cc1Cl 526811646 PNMCPWOXYASNEO-CFRMEGHHSA-N 449.407 6.111 30 10 IKEE N#Cc1c(-c2ccc(F)cc2)csc1NC(=O)CCCOc1ccc(Cl)cc1Cl 526913159 FNNBPCPLGKZOJS-UHFFFAOYSA-N 449.334 6.530 30 10 IKEE Cc1cc(/C=C/C(=O)c2ccc(C(F)(F)F)nc2O)cc(C)c1OCc1ccccn1 731564659 ODXIXMFFYQASQM-SOFGYWHQSA-N 428.410 5.293 30 10 IKEE C=CCN(CC=C)C(=Nc1sc(-c2ccccc2)nc1-c1ccccc1)c1ccc(C)cc1 1081077634 HQHGGBVUQIBVEO-UHFFFAOYSA-N 449.623 7.538 30 10 IKEE CC(=NNc1nc(SCc2ccccc2Cl)n[nH]1)c1ccc(Br)cc1 1084405756 KTPCAISUCGTBSE-UHFFFAOYSA-N 436.766 5.349 30 10 IKEE CC(C)c1ccc(/C=C2\SC(=Nc3cccc(C(=O)O)c3)N(C3CCCCC3)C2=O)cc1 1772737754 RNWLYUVPKLDDNB-VRXUDNSFSA-N 448.588 6.445 30 10 IKEE C=CCN1C(=O)/C(=C(/C)c2ccc(Br)cc2)SC1=Nc1cccc(C)n1 1772738201 RJDTVPHNVCXSHH-URICHJNWSA-N 428.355 5.333 30 10 IKEE CCCCOCCCNC(=O)Oc1cccc2c(NC(=O)c3cccc(C#N)c3)cccc12 1858944736 OOAWDAINJIKBBG-UHFFFAOYSA-N 445.519 5.259 30 10 IKEE CC(C)(C)c1cc(C(=O)Nc2c(C#N)cnn2-c2ccc3ccccc3n2)c2ccccc2n1 1859649622 YCYGSNPJSYJQQT-UHFFFAOYSA-N 446.514 5.390 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2ccccc2Cl)cc1 1862391542 CICVSAPIUZAKHE-OPAMFIHVSA-N 425.956 6.059 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(OCCC)cc1 1862418633 KPEFFAXYKRMKSQ-QFIPXVFZSA-N 443.490 5.522 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CC(C)C)cc1 1862468273 LKIRBIPHWDEQSE-HXUWFJFHSA-N 442.353 5.246 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCc3ccccc3)[C@@H]2c2ccccc2C)cc1 1862475404 KWMSRURIXRQXCI-AREMUKBSSA-N 439.555 5.905 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2ccccc2C)cc1 1862531852 DFBHANSEIUQWHY-DEOSSOPVSA-N 445.946 5.989 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccccc2)cc1OC 1862575652 BNMDFEKMRZWMNE-BXKMTCNYSA-N 443.499 5.043 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(N(C)C)cc1 1862583210 VQNYUTIRBNODCG-XCLFUZPHSA-N 447.362 5.436 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CC)cc1 1862586620 YCTAIRCBPMSNRK-IBGZPJMESA-N 434.319 5.380 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(F)cc2)cc1 1862615313 JJJGZCFCTYXXCJ-QHCPKHFHSA-N 435.539 6.034 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccccc1 1862661893 XOEJRFOLXHUIFX-VWLOTQADSA-N 433.592 6.749 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccc(F)cc1)c1ccc2ccccc2c1 1862716059 WYQIYBTWQNOGIU-VWLOTQADSA-N 443.518 6.280 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(Cl)cc1Cl 1862720655 AVWUHAZEWLHGHO-OAQYLSRUSA-N 438.310 5.911 30 10 IKEE C=CCN1C(=O)C(Nc2cc(Cl)ccc2Oc2ccccc2)=C(c2ccc(F)cc2)C1=O 1863145653 GCCSSPJLOSNVLH-UHFFFAOYSA-N 448.881 5.649 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccccc2)=C(c2ccc(C)c(C)c2)C1=O 1863247689 JAOZOZYIFVFCJN-UHFFFAOYSA-N 432.608 6.636 30 10 IKEE C=CCN1C(=O)C(Nc2cc(C(F)(F)F)ccc2Cl)=C(c2ccc(C)c(C)c2)C1=O 1863260291 JRNABHXUROPXKQ-UHFFFAOYSA-N 434.845 5.354 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cccc(C)c2)=C(c2ccc(OC)cc2)C1=O 1863325547 WYOMUSZBXPBHEH-UHFFFAOYSA-N 448.607 6.336 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(Cl)cc2)=C(c2ccccc2OC)C1=O 1863425706 QPOTWDBUUPBABJ-UHFFFAOYSA-N 440.971 5.901 30 10 IKEE C=CCOc1ccccc1/C=C1\C(=O)N(c2ccc(Cl)c(Cl)c2)N=C1C(F)(F)F 1865666965 XEYMEDVXNWEEBN-UVTDQMKNSA-N 441.236 5.907 30 10 IKEE CC(C)c1nc(Nc2ccc(C#N)cc2)cc(N2C[C@@H](C)N(c3ccccc3)[C@H](C)C2)n1 1868241808 CIDIFMDJXOYTKQ-WOJBJXKFSA-N 426.568 5.319 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)Nc2cccc(C(C)=O)c2)c(=O)cc1C 1870083642 KKPWTDXRZBTBMG-UHFFFAOYSA-N 440.584 5.518 30 10 IKEE CCCCCCCCn1cc(OCC)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870237453 APKLBKGOLAMKLT-UHFFFAOYSA-N 441.641 6.092 30 10 IKEE CCCCCCCOc1cn(CCCN(CC)CC)c(CN2C[C@@H](C)C[C@@H](C)C2)cc1=O 1870411983 VBGXYKPBUSWPTQ-PSWAGMNNSA-N 447.708 5.407 30 10 IKEE CCCCCCCOc1cn(CCc2cnc[nH]2)c(CNc2ccc(C)c(C)c2)cc1=O 1870836791 VKWQYICFKBPRLL-UHFFFAOYSA-N 436.600 5.392 30 10 IKEE CCCCCCCOc1cn(Cc2ccccn2)c(CNc2ccccc2C(C)C)cc1=O 1870837878 CHSLFQPACNXUTI-UHFFFAOYSA-N 447.623 6.376 30 10 IKEE C=CCn1cc(OCC2CCCCC2)c(=O)cc1CNc1ccc(Br)cc1 1870913358 NZTJAHHMKULEGU-UHFFFAOYSA-N 431.374 5.368 30 10 IKEE CCCCCCCCCCn1cc(OCCCO)c(=O)cc1CNc1cccc(OC)c1 1871265026 GVWIKIYTZGYOAE-UHFFFAOYSA-N 444.616 5.371 30 10 IKEE CCCCCCCCCCNC(=O)c1cc(-c2ccccc2)c2cc(OC)c(OC)cc2c1 1871323902 VMZQFRMUSUVOTA-UHFFFAOYSA-N 447.619 7.395 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccccc1F)C3=O)CN(C13CC4CC(CC(C4)C1)C3)CO2 1871359370 MJEKAVSZSXBIEB-VROXFSQNSA-N 445.534 5.871 30 10 IKEE Cc1cc(OC(=O)/C=C/c2cccs2)cc2c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O2 1871380661 AISDTMWYNORUEB-DERKEVEESA-N 433.441 5.200 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)OC(C)C)cc(C)c3C2=O)cc1 1871400597 FZEPIZSJLYZYPZ-PVFDWLMNSA-N 437.536 5.176 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(O[C@@H](C)C(=O)Nc3cc(C)ccc3C)ccc2C1=O 1871411511 IJHAFBMKZBJRTM-BDFPJNNISA-N 443.499 5.334 30 10 IKEE Cc1cc(OCc2ccc(C(=O)OC(C)C)o2)cc2c1C(=O)/C(=C/c1ccc(F)cc1)O2 1871439002 CNZRUBJNQSTOCF-JJFYIABZSA-N 436.435 5.488 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O)Nc1ccccc1C(F)(F)F 1871452733 WNXGUGUNQXSKOI-MTJSOVHGSA-N 439.389 5.339 30 10 IKEE C=C(C)CN([C@H](CC)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1cc(C)ccc1C 1872433817 KWTNRNWLQRDHGP-OAQYLSRUSA-N 449.016 5.249 30 10 IKEE CC(C)c1ccccc1O[C@@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc3c(c2)OCO3)cs1 1872772498 FFQZGYARBKRRMR-YJBOKZPZSA-N 434.517 5.306 30 10 IKEE Cc1cc(C)c(-c2csc([C@@H](C#N)C(=O)Cc3ccc(Cl)c(Cl)c3)n2)c(C)c1 1872786682 PSGZTCPTFKRGRT-INIZCTEOSA-N 429.372 6.461 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(OC(C)=O)c3)n2)c2ccccc12 1872787186 DBHMRDBOGXLZDR-NRFANRHFSA-N 442.496 5.387 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc([N+](=O)[O-])cc3)n2)c2ccccc12 1872788561 LGAFNAKIXYIYKF-LJQANCHMSA-N 429.457 5.370 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC2CC2)=C(c2cccc(Br)c2)C1=O 1873052320 AFJXECJPHLOYEM-UHFFFAOYSA-N 447.417 5.422 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc3ccccc23)=C(c2ccccc2)C1=O 1873415325 NIZSETRFQDEPTM-UHFFFAOYSA-N 426.560 6.392 30 10 IKEE CCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1/N=C/c1cccc(O)c1 1874194679 BDXXLCCHBLMRQA-KOEQRZSOSA-N 438.597 5.287 30 10 IKEE CCSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1c(F)cccc1Cl 1874225542 QCPIUYPNSWSBJC-AFUMVMLFSA-N 446.979 5.693 30 10 IKEE CSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1ccc(Cl)cc1Cl 1874250820 XSNSQISSOHYDBW-YDZHTSKRSA-N 435.380 5.509 30 10 IKEE CCCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874270040 BGVLXEAVBXFITA-LFVJCYFKSA-N 431.521 5.315 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3Cl)n2/N=C/c2ccncc2)c1 1874274823 OCZCJGYDKCKIAL-JVWAILMASA-N 447.995 5.595 30 10 IKEE CCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc(C(C)(C)C)cc1 1874276291 DQXLKURHTITZKX-PCLIKHOPSA-N 427.017 6.008 30 10 IKEE CCCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccccc1OC(C)C 1874284490 JSUQKOJTXQJELN-PCLIKHOPSA-N 443.016 5.888 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccc(C)cc3)n2/N=C/c2cccc(O)c2)cc1 1874348017 RKCFSKHFLNSXAR-WGOQTCKBSA-N 444.560 5.066 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2ccc(O)cc2)cc1C 1874358670 UIHCJCKENNTGAZ-WGOQTCKBSA-N 428.561 5.366 30 10 IKEE Cc1cccc(/C=N/n2c(CCc3ccccc3C)nnc2SCCc2ccccc2)c1 1874362579 LRNBHFNIJBXXDA-VFCFBJKWSA-N 440.616 5.897 30 10 IKEE CSc1nnc(CCc2cccs2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874369219 PPZNZAOPFPHOFR-LFVJCYFKSA-N 434.590 5.308 30 10 IKEE Cc1ccccc1CSc1nnc(COc2ccccc2)n1/N=C/c1cccc(O)c1 1874382963 RNOKRSWPVXCGFF-MFKUBSTISA-N 430.533 5.046 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccccc1O 1874394221 HGEQZEVVMSWKDY-AEIQVQRHSA-N 432.524 5.449 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCCc2ccccc2)n1/N=C/c1ccc(O)c(O)c1 1874400566 TZXGYJIZWQIRPW-WNIQNGNASA-N 444.560 5.058 30 10 IKEE CC(C)c1ccc(/C=N/n2c(Cc3cccs3)nnc2SCc2ccccc2)cc1 1874412771 VANJMGRDSAPXAA-PCLIKHOPSA-N 432.618 6.228 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(F)cc2)n1/N=C/c1cc(Cl)ccc1O 1874436750 ANXYBBFPXJRBPL-WYMPLXKRSA-N 432.952 5.539 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(CC(C)(C)C)n2/N=C/c2cccc(C)c2)cc1 1874437271 SNAJRMMLLMPZHP-WGOQTCKBSA-N 449.624 5.351 30 10 IKEE CCCCCCOc1ccc(/C=N/n2c(CCCC)nnc2SCCC)cc1OC 1874479370 XOXTYQVQTKJZIO-HKOYGPOVSA-N 432.634 5.973 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1c[nH]c2ccccc12 1874517111 LLCLTSCAUYJEGV-OPEKNORGSA-N 444.391 6.364 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CC2)cc1 1874519800 MJMPDJUTBZKQOR-MFKUBSTISA-N 441.000 6.162 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2cccc(OCc3ccccc3C)c2)cc1 1874598092 UJAGMISQZPMAJO-HMMYKYKNSA-N 442.599 7.819 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2cccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)c2)c1 1874599657 XZLIJXNHZDDPSQ-ZHACJKMWSA-N 441.571 6.451 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1 1874615260 OINKEJOOSDQMCD-VIZOYTHASA-N 445.515 5.316 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OCc3ccccc3F)c(Br)c2)c1 1874617929 AHQYYWZRWCPXBJ-PKNBQFBNSA-N 439.324 6.680 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1)c1cccc(Br)c1 1874697918 QUJUIMZVYIZLOQ-KPKJPENVSA-N 441.708 6.218 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OC(=O)Cc1ccc(C)c(C)c1 1874698441 WRWMBDSSRAVSOD-ACCUITESSA-N 430.500 5.365 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCCOc3c(C)cccc3C)c2)cc1C 1874714037 AKFOEMGPKDAXED-JQIJEIRASA-N 442.555 6.581 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2cccc(OC(=O)c3ccccc3)c2)cc1Cl 1874716870 NGLJLFGWEYALHT-ZHACJKMWSA-N 427.283 6.117 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)cc2)cc1OC 1875096870 JCSGXYYJMMBTHX-OQLLNIDSSA-N 442.511 5.698 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3c(OC)cccc3OC)c(OC)c2)cc1 1875100777 CHONUCJASMIYLF-RVDMUPIBSA-N 446.499 5.390 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OCC(C)C)cc3)cc2)c1 1875102730 OEBRQQYONZMBAP-CXUHLZMHSA-N 430.500 5.845 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc4nc(C)c(C)nc4c3)cc2)cc1 1875113043 UNKZGLPEQPKBQS-GIDUJCDVSA-N 438.483 5.371 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Br)c(OC(=O)CC(C)C)c(OC)c1 1875119296 NFEFGVROSCKQAQ-MDZDMXLPSA-N 447.325 5.314 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OCC(C)C)cc3)cc2)c(C)c1 1875131289 PPQHDPJXUFEAHG-LZYBPNLTSA-N 428.528 6.454 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2)cc1 1875132091 FCVIXDDEPNLXEJ-XDHOZWIPSA-N 428.528 6.218 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)c1ccc(C)cc1 1875140906 DVGFSQXRYOSOCW-IZZDOVSWSA-N 438.882 6.220 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cc(OC)c(OC(=O)C(C)C)c(OC)c1 1875160774 IWXUMTZYWXQESN-PKNBQFBNSA-N 440.536 5.467 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1Cl 1875168664 ORWZLRIIAQEMPC-ZRDIBKRKSA-N 432.947 6.997 30 10 IKEE CN(C[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C(C)(C)C)C(=O)OC(C)(C)C 1912195052 XGJPFURFIKAHQH-NRFANRHFSA-N 438.573 5.099 30 10 IKEE CCC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 1945774739 WHQAFCVLMXVVKA-VQIMIIECSA-N 435.540 5.400 30 10 IKEE CCCCCCC[C@@H](O)[C@@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1975117231 PKHQAXKDKVXQFT-ZEQKJWHPSA-N 439.552 5.090 30 10 IKEE CC1(C)CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)[C@@H](OCc2ccccc2)C1 1998840033 NAIWTJDYSYOTMK-NVQXNPDNSA-N 426.601 6.224 30 10 IKEE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(C)c1 2032559861 BBPSWPKVFIUSHN-UQBPGWFLSA-N 443.588 5.666 30 10 IKEE CC(C)(C)OC(=O)N(C[C@H]1CCCO1)[C@@H](C#N)c1c(Cl)cccc1Br 2033938338 QOEMRNFRHJGFKJ-DOMZBBRYSA-N 429.742 5.083 30 10 IKEE Cc1cc(C)c2c(c1)C(=O)C(=Cc1cn(-c3ccccc3)nc1-c1cc3ccccc3o1)CC2 2040458401 WGMIEBJBQNZPGT-UHFFFAOYSA-N 444.534 7.115 30 10 IKEE Cc1ccc2c(c1)S/C(=C1/C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]3(C)C1=O)S2 2040691054 YMDSWPZYGHRYGY-UBFDUOEVSA-N 438.702 8.016 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)C2(C#N)[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)C3)cc1 2042142008 RZCWJSPCEOMKDT-OALUTQOASA-N 441.572 5.276 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)c(Br)c1)NC 2047971551 UXONSTFNLNSGKR-IAGOWNOFSA-N 431.802 5.093 30 10 IKEE C=CCN(CC[C@H](N)Cc1cc(Cl)c(C)c(Br)c1)C(=O)OC(C)(C)C 2048650922 ZPQKIAZDBKTGDF-HNNXBMFYSA-N 431.802 5.094 30 10 IKEE C=CC1(C[C@@H](NCCC)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)CCC1 2049034470 BRQLRZCJMLCXFK-YIXXDRMTSA-N 441.660 5.270 30 10 IKEE CC[C@@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2053573285 IWNCBADONFSAAW-CHWFTUGMSA-N 428.701 7.204 30 10 IKEE Cc1ccc([C@H](n2nc(C3(C)CC3)c(C#N)c2I)C(C)(C)C)cc1C 2079136998 GOTMVCIPQVQTEU-SFHVURJKSA-N 447.364 5.663 30 10 IKEE CC1([C@@H](c2ccc(C(F)(F)F)cc2F)n2nc(C(F)F)c(C=NO)c2Cl)CC1 2079982672 AEVSPIBWGBZPFQ-CYBMUJFWSA-N 425.760 5.830 30 10 IKEE COc1c2c(nc3c(-c4c(F)cccc4C(F)(F)F)c(C(F)(F)F)nn13)CSC2 2081423972 RWEZTMKXJAKQET-UHFFFAOYSA-N 437.340 5.328 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(Nc3ccc(Br)cc3C#N)CCCCC[C@@H]12 2162340749 CDXMKARSZPPVSJ-WIYYLYMNSA-N 434.378 5.445 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@]2(CNc3ccc(Br)cc3C#N)CCC[C@H]12 2165298714 CATCDRIDSPSXJB-RXVVDRJESA-N 434.378 5.302 30 10 IKEE CCCCCCCCCCCC[S@@](=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2195305490 YPTGZNOMCVLHJT-URAOTHONSA-N 439.618 5.036 30 10 IKEE C[C@H](CC1CCN(c2cccc(Br)c2C#N)CC1)N(C)C(=O)OC(C)(C)C 2203596164 UGZCJFAEOIYUGI-OAHLLOKOSA-N 436.394 5.183 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 2213337865 WYLPZGQSMMKISS-LUCIHVKJSA-N 435.609 5.341 30 10 IKEE C=C1C[C@@H]1C[C@H](NCCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237425261 PUWQWEVRGBFSTL-HOJAQTOUSA-N 437.422 5.219 30 10 IKEE C=C(C(=O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)c1ccccc1 2237433102 WTBCNVXRPCKAEA-IBGZPJMESA-N 430.342 5.167 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@H]1CN(C(=O)OC(C)(C)C)CC12CC2)NCCC 2251336326 NXQZFOCKKNFQGQ-XZOQPEGZSA-N 428.617 5.165 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)c(Cl)c1 2255368898 KTPUWBOLXJVDHZ-UHFFFAOYSA-N 445.756 5.125 30 10 IKEE O=C1NC(=Nc2ccc(F)cc2)SC1=Cc1ccc(Sc2ccc(Cl)cc2)s1 2294013926 MHLVNAVXAAAOCB-UHFFFAOYSA-N 446.981 6.583 30 10 IKEE CCN[C@@H](C#Cc1cccc(Br)c1)c1scc(Br)c1Cl 2296228793 CEJRFYSJOVXHGK-ZDUSSCGKSA-N 433.596 5.629 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc(CC[C@@H](N)C#Cc2ccc(Br)cc2)c1 2296279520 PNODWROCZFRRDW-IBGZPJMESA-N 429.358 5.108 30 10 IKEE Cc1cc(C)c2nc(N3C(=O)C(=O)C(=C(O)c4ccc(C)o4)[C@@H]3c3ccccc3)sc2c1 2296935835 JXSVYLLCVNFEBG-NRFANRHFSA-N 444.512 5.441 30 10 IKEE O=C1C(=Cc2ccc(N3CCCCC3)o2)SC(=Nc2ccccc2)N1Cc1ccccc1 2313560201 MMFYTTVLFROKTD-UHFFFAOYSA-N 443.572 6.074 30 10 IKEE O=C1C(=Cc2cn(-c3ccccc3)nc2-c2cccs2)Oc2ccc(Br)cc21 2314519590 UQSZSKHZNTYZQS-UHFFFAOYSA-N 449.329 5.980 30 10 IKEE CCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1N=Cc1cccc2ccccc12 2320923407 PVHYPGKZIIABLO-UHFFFAOYSA-N 443.576 5.224 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C)n2N=Cc2c(Cl)cccc2Cl)c(C)c1 2321202165 AXFXEUPXIBTLHC-UHFFFAOYSA-N 448.379 5.123 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(S)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2321962530 HIVOCUREAWXHBP-KRWDZBQOSA-N 448.979 5.833 30 10 IKEE Sc1nnc(COc2ccc(Cl)cc2)n1N=Cc1cccc(Oc2ccccc2)c1 2322145517 FBODUFDSTRRWOS-UHFFFAOYSA-N 436.924 5.474 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(ccc4c3CN([C@@H]3CCCC[C@H]3C)CO4)C2=O)cc1 2322153138 IBLMHGMXZTYJSH-NTKDMRAZSA-N 446.591 5.880 30 10 IKEE COc1ccc(C=C2Oc3c(cc4c(c3C)OCN([C@@H]3CCCC[C@H]3C)C4)C2=O)cc1OC 2322391623 GDWZXYZRAFXVGS-IIBYNOLFSA-N 449.547 5.359 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccccc2OCc2ccccc2C)cc1OCCC 2322502404 CEJREXXOMVESLH-UHFFFAOYSA-N 444.571 7.048 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCc2c(Cl)cccc2Cl)c(OC)c1 2322901575 SVQYEYPOANMGKV-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccccc1OC(F)F)C2=O)c1cccc(Cl)c1 2322907778 ZTYVPKUCUOLYTA-UHFFFAOYSA-N 442.801 5.777 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OCc1ccc(Cl)c(Cl)c1 2323153210 MBMFUJNYKDYHMC-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1cccc([N+](=O)[O-])c1 2323369593 FZVHAIWFXIUAKO-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CCCC[C@]12CCN(C(=O)OC(C)(C)C)C2 2323466509 LVMIRCPZCQFQMF-FTJBHMTQSA-N 442.600 5.089 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)c1 2323792146 VVEWSXQRSNTBLL-UHFFFAOYSA-N 428.484 6.044 30 10 IKEE CCc1ccccc1NC(=O)COc1c(OC)cc(C=CC(=O)c2ccccc2)cc1OC 2323808612 AZPYQRWQQVOOFO-UHFFFAOYSA-N 445.515 5.180 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc([N+](=O)[O-])c1OCCc1ccccc1 2323864838 NQIUORCFQJQYFE-UHFFFAOYSA-N 445.515 6.128 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(O)c3CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)C2=O)cc1 2324097688 WUZZJBKSEAFNPO-NGOKVRLYSA-N 431.576 5.971 30 10 IKEE CCCOC(=O)COc1c(Cl)cc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OC 2324151958 JXUSPGPRBMPUCH-UHFFFAOYSA-N 430.928 5.700 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OCc2ccc(F)cc2)c([N+](=O)[O-])c1 2324372186 HSROYBHIEKSIGT-UHFFFAOYSA-N 435.451 5.834 30 10 IKEE Cc1cccc(OCCOc2ccc3c(c2C)OC(=Cc2c(F)cccc2Cl)C3=O)c1 2324534754 GRPSCGGDSBXYOC-UHFFFAOYSA-N 438.882 6.170 30 10 IKEE COc1ccccc1C=Nn1c(CCc2ccccc2)nnc1SCc1ccccc1F 2325448498 NZJFZDNAMLPOBV-UHFFFAOYSA-N 446.551 5.386 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 2325711355 GFINBPXWUPIJGP-UHFFFAOYSA-N 429.472 6.053 30 10 IKEE CCc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2cccc(OC)c2)C3=O)cc1 2325722746 SKPDRXCBDMIJKD-UHFFFAOYSA-N 443.499 5.200 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1OC(=O)[C@H](C)c1ccccc1 2325747035 MFSVJEMJAVNKOF-QGZVFWFLSA-N 430.456 5.029 30 10 IKEE CCc1ccc(C(=O)Oc2cccc(C=CC(=O)c3cc(C(C)(C)C)ccc3OC)c2)cc1 2325752824 WTVABMOMNRFNNB-UHFFFAOYSA-N 442.555 6.670 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)c3ccc(F)c(F)c3F)c2)cc1C 2325771339 QWEHGBMIISJBJT-UHFFFAOYSA-N 440.417 5.845 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1c(OCC)ccc2ccccc12 2326250306 GHALRHGLWMTKAD-UHFFFAOYSA-N 448.567 6.096 30 10 IKEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CCCC[C@@]12CCN(C(=O)OC(C)(C)C)C2 2326264719 MTWNBSLXDUEDKO-UIOOFZCWSA-N 442.600 5.089 30 10 IKEE Cc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1ccc(C(F)(F)F)cc1 2326323671 XIYRNRXISJPUOI-UHFFFAOYSA-N 432.515 6.077 30 10 IKEE CCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc(OC)c(OC)c1 2326589192 KTRWUQWYYHXCDZ-UHFFFAOYSA-N 446.576 5.228 30 10 IKEE C=CCSc1nnc(COc2ccc(OCC)cc2)n1N=Cc1cccc(Cl)c1 2326684252 OMAXKDJYHXLDQU-UHFFFAOYSA-N 428.945 5.070 30 10 IKEE CCCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1cccc(OCC)c1 2327026481 FRWFPIWSZQBZHW-UHFFFAOYSA-N 438.597 5.381 30 10 IKEE CCSc1nnc(COc2ccccc2Cl)n1N=Cc1c(Cl)cccc1Cl 2327638441 PHLNCXALSSABSQ-UHFFFAOYSA-N 441.771 5.812 30 10 IKEE C(=Nn1c(Cc2cccc3ccccc23)nnc1SCc1ccccc1)c1ccccc1 2327753946 QIGUUIAZJKDBCI-UHFFFAOYSA-N 434.568 6.197 30 10 IKEE Clc1cccc(CSc2nnc(CCc3cccs3)n2N=Cc2ccccn2)c1 2329687270 AIAIPZHSOCWBEK-UHFFFAOYSA-N 439.997 5.348 30 10 IKEE Fc1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2F)cc1 2329839999 UZPXMPMEWNFILS-UHFFFAOYSA-N 438.478 5.461 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)CCc3ccccc3)c(OC)c2)cc1 2330742638 IIFYDLCWZALFDL-UHFFFAOYSA-N 444.527 5.701 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(OC)c1OC(=O)c1cccs1 2330911646 VRHQLMINEVJUPD-UHFFFAOYSA-N 428.893 5.534 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)cc2)cc1OC 2330990427 JBUDFRDACPQEAG-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE Cc1ccccc1CSc1nnc(C2CCCC2)n1N=Cc1ccc(Cl)cc1Cl 2331030728 JJSONRVUTVFGJD-UHFFFAOYSA-N 445.419 6.725 30 10 IKEE Fc1cccc(Cl)c1C=Nn1c(SCCc2ccccc2)nnc1C1CCCC1 2331077920 PWILLFQGESIQIG-UHFFFAOYSA-N 428.964 5.945 30 10 IKEE COc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CCCC2)cc1 2331084093 DLSAATMJWDAFJR-UHFFFAOYSA-N 442.588 6.272 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C(F)(F)F)c(Br)c1)c1ccc(F)cc1F 2331092656 NNZUMPFJYFJMFU-UHFFFAOYSA-N 435.142 5.091 30 10 IKEE Cc1ccccc1CSc1nnc(C(F)(F)F)n1N=Cc1cccc2ccccc12 2331115667 IGCIYOBLOYIGHO-UHFFFAOYSA-N 426.467 5.933 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc([N+](=O)[O-])c1OC(=O)c1sccc1C 2331174439 OFQYXAFIAGJBLQ-UHFFFAOYSA-N 437.473 5.479 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)CC(C)(C)C)c(OCC)c2)cc1 2331201534 GNILKQYGQAMBPU-UHFFFAOYSA-N 444.955 6.375 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)cc3)c(OCC)c2)cc1 2331206728 BUIBZVBCHKSAKO-UHFFFAOYSA-N 448.490 5.667 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccccn1 2331254422 JSYCSYMKBMGXCF-UHFFFAOYSA-N 428.271 5.512 30 10 IKEE COc1ccc(CC(=O)Oc2c(OC)cc(C=CC(=O)c3ccc(C)cc3)cc2OC)cc1 2331259890 NXDGGZOOPGJGII-UHFFFAOYSA-N 446.499 5.065 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1cc(C)cc(C)c1 2331377075 FKISNEPRPITOKY-UHFFFAOYSA-N 430.500 5.744 30 10 IKEE C=CCSc1nnc(C(C)(C)C)n1N=Cc1ccc(OCCCCC)c(OCC)c1 2331399852 FEKGMWRMZQTEKR-UHFFFAOYSA-N 430.618 5.704 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(CC(C)C)n2N=Cc2ccccc2Cl)cc1 2331442700 YZGJCIFGBOYJQJ-UHFFFAOYSA-N 441.988 5.051 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CCC)nnc1SCc1cccc(Cl)c1 2331661828 YYDDMIPMHXORNM-UHFFFAOYSA-N 426.973 5.623 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(CC)cc3)cc2)c1 2331674043 YLGNDKCCJNBVQB-UHFFFAOYSA-N 444.527 6.162 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)CCCOc3ccccc3C)cc2)c(C)c1 2331764666 UPADRIBYHHQMHO-UHFFFAOYSA-N 442.555 6.581 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3cc(Cl)ccc3OC)cc2)cc1 2331871444 NTZIKZTYZTVNPV-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)N(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2365058835 HFTCOLGGJPMVFQ-NPTPTYOFSA-N 447.432 5.073 30 10 IKEE Oc1ccccc1/C=N/N=C(C(=N/N=C/c1ccccc1O)/c1ccccc1)\c1ccccc1 8397724 CVOHNJLBUUXCCD-PKJJYICYSA-N 446.510 5.444 30 10 IKEE C=CCn1c(COc2cc(C)cc(C)c2)nnc1SCC(=O)Nc1cccc(Cl)c1 14125842 DMZIRPUUEURMPJ-UHFFFAOYSA-N 442.972 5.044 30 10 IKEE Cc1ccccc1/N=C1\S[C@@H](CC(=O)c2ccc(F)cc2)C(=O)N1c1ccccc1C 15055232 SBARGWRCLBLHTH-NHKLCZRASA-N 432.520 5.852 30 10 IKEE CCc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 21255412 OLGULQAUNUFOEN-CCLHPLFOSA-N 439.515 6.137 30 10 IKEE CC[C@@H](Sc1cc(C)c2cccc(C)c2n1)C(=O)Nc1sc2c(c1C#N)CCCC2 32529118 PDICJCBMJRSNQW-LJQANCHMSA-N 435.618 6.173 30 10 IKEE CCCOc1ccc(C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3o2)cc1 33442567 ABCRYPSTNJZXLR-LTGZKZEYSA-N 428.444 5.948 30 10 IKEE O=C(/C=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc2ccccc2c1 33686824 QCNGOEYXOVVEBX-APSNUPSMSA-N 448.927 6.157 30 10 IKEE Cc1cc(C)cc(-n2c(C)cc3c2CC(C)(C)C/C3=N\OC(=O)c2ccccc2Cl)c1 39853167 WPBPCGWLPDMXPQ-WEMUOSSPSA-N 434.967 6.589 30 10 IKEE C=C(C)[C@H](C)/C=C/[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@H]3CC[C@@]21C 44387214 IBFQWGIEQHTWFU-LYHJVHLQSA-N 428.657 5.417 30 10 IKEE Cc1c(Cc2ccccc2Cl)c(N2C[C@@H](C)C[C@@H](C)C2)n2c(nc3ccccc32)c1C#N 47163614 GKAJXBNOTGVTRC-HDICACEKSA-N 442.994 6.394 30 10 IKEE COc1cc(/C=N/c2cc(C(F)(F)F)ccc2Oc2ccccc2)c(O)c([N+](=O)[O-])c1 59501262 SMRZULLBYTYWOU-BRJLIKDPSA-N 432.354 5.871 30 10 IKEE CCCCCCCC(=O)OC[C@H](COCc1ccccc1)OC(=O)CCCCCCC 72399754 YKYDQMIJNZBEQD-DEOSSOPVSA-N 434.617 6.379 30 10 IKEE in-vitro CCCCCCCCc1c(C)nn(C(=O)COc2ccc(C(=O)OCCC)cc2)c1C 100458915 HSFUVAVAVWUQGS-UHFFFAOYSA-N 428.573 5.689 30 10 IKEE CCN1/C(=C2\S/C(=N/Cc3ccccc3)N(C3CCCCC3)C2=O)Sc2ccccc21 102149088 SFHIQUHDLCUJFF-UXKFRGQBSA-N 449.645 6.252 30 10 IKEE COc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1Cl 169879193 HXJBXPIBAULJKO-WYMPLXKRSA-N 446.290 5.935 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccccc2C)cc1 169926506 YVYAZZPPRLDGNQ-XMMPIXPASA-N 439.467 5.533 30 10 IKEE CCCN1C(=S)N[C@H](c2ccc(OCc3cccc(Cl)c3)cc2)C(C(C)=O)=C1C 169930108 QOPMXINYUDPQPS-JOCHJYFZSA-N 428.985 5.423 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccc(F)c(F)c2)c1 169968365 UTCUPJZIADDBQY-HSZRJFAPSA-N 445.421 5.802 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@H]2c2cccc(C)c2)cc1 169968921 PGXZEHFQITVJFD-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(OC)c3)[C@@H]2c2cccs2)cc1 169989016 JABQXJCSHIACJM-JOCHJYFZSA-N 433.529 5.098 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@H]1c1ccncc1)c1c[nH]c2ccccc12 170018061 LJBYFRFPIRSXAY-NRFANRHFSA-N 447.853 5.138 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCCC2)c1 170039257 NZHOEQIKNCPQQF-DEOSSOPVSA-N 433.548 5.613 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc3ccccc23)cc1 170045421 JVKWUKKWNBKZAA-RUZDIDTESA-N 437.495 5.774 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@H]2c2ccccc2)cc1 170050369 CZZKRVFJXXIFPC-QFIPXVFZSA-N 435.882 5.824 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1 170057982 HJHZQKXYUHXZFH-QHCPKHFHSA-N 435.882 5.581 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2ccc(F)cc2)cc1 170062039 OKOGCNAMQNNSOG-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(C(C)C)cc2)ccc1F 170066643 LHRCQQZSYHBSLX-REWPJTCUSA-N 437.511 5.015 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccccc2F)cc1C 170069964 CMHSROAOZUDCIS-DEOSSOPVSA-N 441.458 5.972 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(C4CCCCC4)[C@H]3c3cccc(C)c3)oc12 170145526 BLDZJZGOUAMYOC-QHCPKHFHSA-N 445.515 5.661 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)(C)C)c2)[C@@H]1c1cccc(C)c1 170146967 QCJVXOJZRZENKN-QHCPKHFHSA-N 435.564 5.680 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(C4CCCC4)[C@@H]3c3cccc(C)c3)oc12 170148718 SPKSSUIAMLFJRN-JOCHJYFZSA-N 431.488 5.271 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2cccs2)cc1C 170158185 XJZQRGPPHICZPO-JOCHJYFZSA-N 431.513 5.083 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccs2)c1 170161560 RYIKVWVWKKKMHE-FQEVSTJZSA-N 439.920 5.501 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@@H]1c1cccnc1 170186983 JCYKDOLDLKKKHT-HSZRJFAPSA-N 442.515 5.107 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cccnc1)c1cc2cc(Cl)ccc2o1 170194346 XYWDRUFULIDIMI-OAQYLSRUSA-N 436.895 5.392 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccncc1 170200126 UHGLNXIZRCMLKM-QHCPKHFHSA-N 444.506 5.610 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccncc2)cc1 170201142 GIBNFEOSCZRWGJ-RUZDIDTESA-N 438.527 5.306 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cccc(OCC(C)C)c1 170219130 SVSWDWAEKPNOKA-XDHUDOTRSA-N 449.547 5.033 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2ccccc2)cc1C 170227948 VVQIYMOSDIWITE-DEOSSOPVSA-N 443.499 5.109 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@@H]1c1ccccc1 170232868 YKPBRWNOMRXOBT-QHCPKHFHSA-N 435.564 5.761 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2)cc1C(C)(C)C 170233800 UXGYNPJRTFJLCK-DEOSSOPVSA-N 447.575 5.904 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@H]1c1ccc(Cl)cc1 170236564 PDKFBQMLAZAARZ-GOSISDBHSA-N 434.319 5.299 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(F)cc1)c1ccc2c(c1)CCCC2 170237326 QDWUIKQTBIYQFC-QHCPKHFHSA-N 447.531 5.545 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@@H]1c1ccc(F)cc1 170243365 YRGUZTNISDVZSW-NRFANRHFSA-N 425.500 5.120 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(C(C)C)cc1 170245257 WWTXELXIOIKHGF-RUZDIDTESA-N 427.544 6.342 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(CC)cc2)cc1 170266332 QBHKKLDWJGHERA-HSZRJFAPSA-N 431.488 5.019 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2C2CCCCC2)cc1 170266736 GUSXNYHHZKHBDO-GKVSMKOHSA-N 445.559 5.483 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)[C@H]2c2ccco2)c1 170278880 VTULNUMGRBIMMN-OAQYLSRUSA-N 449.846 5.471 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccco2)cc1C(C)C 170293166 GXVIWLCRKMYGJL-HSZRJFAPSA-N 437.536 5.631 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2ccc(C)o2)c1 170297639 HBSFVJOXLQFPGL-QHCPKHFHSA-N 447.487 5.168 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(C)o2)c1 170299057 XBMYWQOUDSWWMI-HXUWFJFHSA-N 441.842 5.172 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccc(C)o2)c1 170304738 SYXFLUCIHZZFDR-QHCPKHFHSA-N 431.488 5.386 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@@H]1c1sccc1C 170318915 VOXXXOJNYVWXEH-LJQANCHMSA-N 427.566 5.351 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccc(O)c(Cl)c1)c1ccccc1 170366975 LAGNCLKQRIEIMI-HXUWFJFHSA-N 441.817 5.107 30 10 IKEE CC(=O)Oc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)c(C)c2)cc1 170407273 PDECOYWNVIXGHU-DEOSSOPVSA-N 441.483 5.012 30 10 IKEE N#Cc1c(Br)cccc1Nc1ccc(Cl)cc1I 232245136 IRAHCWUQDUQKST-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE N#C[C@H](Nc1ccccc1Br)c1ccc(Br)c(Br)c1 232468535 MXFVAOIFGMFCSR-AWEZNQCLSA-N 444.952 5.651 30 10 IKEE COc1ccccc1/C=N\n1c(Cc2ccccc2)nnc1SCc1cccc(C)c1 526808220 DRIYEEGFJHFZAH-ONUIUJJFSA-N 428.561 5.360 30 10 IKEE CCCOc1ccc(/C=N\n2c(C)nnc2SCc2ccc(C)cc2C)cc1Cl 526810632 DNHWTVKLLKDKAA-CFRMEGHHSA-N 428.989 5.820 30 10 IKEE Cc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccc(Cl)cc1Cl 526821155 DSFZJLWZXABRDN-MSXFZWOLSA-N 427.360 6.221 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1cccc(OCC)c1 526822159 TXMDJWFMXVTJSY-ONUIUJJFSA-N 430.577 5.957 30 10 IKEE CCCCCCCCC[S@@](=O)CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 586333800 MABYCTOSLXEPMJ-SSEXGKCCSA-N 448.028 6.009 30 10 IKEE C[C@@H]1C[C@@H](C)CN(C(=O)Nc2ccc(C(=O)Nc3scc(C(C)(C)C)c3C#N)cc2)C1 586681030 VCJVFUVOABKTLB-HZPDHXFCSA-N 438.597 5.679 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@H](C#N)c1cc(Cl)ccc1Br 698428464 ZHCXHDVRCIOBQT-SFHVURJKSA-N 435.749 6.104 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@@H](C#N)c1sccc1Br 698960491 XOYNXPFCMUWCNR-AWEZNQCLSA-N 427.751 6.170 30 10 IKEE CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2/C=N/c1ccccc1/N=C/[C@@H]1C(=O)[C@H]2CC[C@@]1(C)C2(C)C 1088651723 HXEWRZRCECTMFG-CDGFVXRYSA-N 432.608 6.374 30 10 IKEE CCCCCCCCCCCCC[C@@]1(CCCC(=O)OCCO)OCC(C)(C)N1O 1848441142 FHQBYOLJBRCIBR-DEOSSOPVSA-N 429.642 5.590 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc3c(OC(=O)c4ccccc4Cl)cccc23)c1 1858929784 CCCVKJKOKISPDD-UHFFFAOYSA-N 426.859 5.836 30 10 IKEE CCc1nc(Nc2ccccc2OC)sc1C(=O)Nc1scc(C(C)(C)C)c1C#N 1860825569 KBGMUUBTKVHQKJ-UHFFFAOYSA-N 440.594 5.941 30 10 IKEE CCCCCCCCNC(=O)[C@H](NC(=O)c1ccccc1C(F)(F)F)c1ccccc1 1861042276 KQXVFWRBBOSYKM-OAQYLSRUSA-N 434.502 5.653 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 1861221412 ZFCXHBPVEFWKRX-RPBOFIJWSA-N 443.676 5.050 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)[C@H](C)Oc1ccc(C(C)C)cc1 1861677253 KCUGURYHSHGJNE-URXFXBBRSA-N 432.649 5.729 30 10 IKEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)CCCOc1ccc(OC)cc1 1861717452 ZPIFMZVMORBWAM-UHFFFAOYSA-N 434.621 5.006 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2ccccc12 1861727524 JYLGJUQBOQCHRA-SANMLTNESA-N 430.592 5.658 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C[C@@H]2CCCO2)c1 1862379720 JDKPCJAYHDPELW-JXFKEZNVSA-N 446.330 5.059 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(F)cc1 1862383331 UILZRDTXJWPHLL-LJQANCHMSA-N 436.310 5.757 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2Cl)cc1C 1862402789 HRULKOALZHWDNB-OAQYLSRUSA-N 425.912 5.178 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccccc1F 1862411761 OJTSANJEYHILFN-KSFYIVLOSA-N 445.481 6.041 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(O)cc1 1862430362 IVNXQSKKIWUCTA-OYHNWAKOSA-N 433.891 5.385 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)c1 1862456405 QZZCHNKRVFOWRM-JSVDNDDVSA-N 443.465 5.569 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccccc2Cl)cc1 1862476204 FOVXDXBSQTUFQN-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc(OCc2ccccc2)c1 1862483593 FVCAJRGSKHKSIQ-XMMPIXPASA-N 427.500 5.172 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(O)cc2)cc1 1862514533 JMCOLGQLYSDPCS-XMMPIXPASA-N 449.547 5.482 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccccc1Cl 1862561074 PQKLFIMODBLEGI-AVRDEDQJSA-N 440.971 5.859 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)c(Cl)c2)=C(O)C(=O)N1CCC(C)C 1862580550 MZBLWFBLINBELL-FQEVSTJZSA-N 432.347 5.926 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCc2ccc(Cl)cc2)c1 1862589212 GWQSGJSZTXSSRA-HSZRJFAPSA-N 447.918 5.175 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862599855 MABVUOJSQHLQNU-HXOBKFHXSA-N 437.536 5.338 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1cccc(O)c1 1862614112 YCSQDVBECDUWQM-HSZRJFAPSA-N 435.564 5.848 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(OCCCC)cc1 1862670084 LSUJWLFSGWGWNZ-DEOSSOPVSA-N 433.548 5.753 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccc(F)cc2)c1 1862702723 KEDXGBNGJMQGJY-MWTRTKDXSA-N 431.463 5.174 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(F)cc1F 1862725395 IBKOMRILHXHPLO-QHCPKHFHSA-N 433.454 5.620 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccccc1Cl 1862725467 JNVCHORJZNNZFH-XMMPIXPASA-N 445.946 6.385 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cccc(F)c1 1862735262 GSVGZYBOIVIAFJ-IVZQSRNASA-N 446.434 5.073 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(Cl)c(Cl)c3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862897510 RAQIHSSWTROGHQ-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE Cc1cc(C2=C(Nc3ccc(C(C)C)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)ccc1F 1863093353 MRBHYXIOLMOPHV-UHFFFAOYSA-N 439.490 5.526 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(OCCCCCC)cc2)=C(c2cc(C)ccc2C)C1=O 1863397007 CWQHLVBYIBPITJ-UHFFFAOYSA-N 432.564 5.641 30 10 IKEE Cc1ccccc1-c1nc(Nc2cccc(C#N)c2)cc(N2CCO[C@H](c3ccccc3)C2)n1 1868293091 WDYYRSMUKFNQCT-VWLOTQADSA-N 447.542 5.645 30 10 IKEE CCCCCCCCn1cc(OCC(=O)Nc2c(C)cccc2C(C)C)c(=O)cc1C 1870092478 DNNKZLUTTNTUOP-UHFFFAOYSA-N 426.601 5.967 30 10 IKEE Cc1cc(Cl)ccc1-n1nnc(C#N)c1NC(=O)[C@@H](Cc1ccccc1)c1ccccc1 1870147887 LLTBVIIQGRTEFC-NRFANRHFSA-N 441.922 5.066 30 10 IKEE CC(C)(C)SCc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCc1ccccc1 1870233145 CGFBQBJDCPWUCI-UHFFFAOYSA-N 432.589 5.573 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2C)c(CNc2ccccc2CC)cc1=O 1870836190 HXXNIGMREXHCSJ-UHFFFAOYSA-N 446.635 6.729 30 10 IKEE CCCCCCCCNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 1871317701 NJVRWHKDFYWUMG-UHFFFAOYSA-N 432.999 7.513 30 10 IKEE CCc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCCCN(CC)CC)C4)cc1 1871349558 WOIKXRMBOQLOTN-UQQQWYQISA-N 448.607 5.448 30 10 IKEE Cc1ccc(C)c(CN2COc3ccc4c(c3C2)O/C(=C\c2cccc([N+](=O)[O-])c2)C4=O)c1 1871349709 YLSSFXIPJBOQAI-MSXFZWOLSA-N 442.471 5.180 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN([C@@H]2CCCC[C@@H]2C)C3)C1=O 1871356188 YTTICJALBRWRHW-ZILMSGENSA-N 433.548 5.741 30 10 IKEE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2cccs2)C3=O)cc1OC 1871366406 DCYLTBJZYVEAIJ-GFLFKCGPSA-N 434.469 5.000 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(C(F)(F)F)cc4)ccc3C2=O)cc1 1871376033 PZMPCRVRWLUYEU-MTJSOVHGSA-N 440.373 5.549 30 10 IKEE Cc1c(OC(=O)c2cccc(Oc3ccccc3)c2)ccc2c1O/C(=C\c1cccnc1)C2=O 1871379217 MEKJUFLKDAPQAL-MYYYXRDXSA-N 449.462 6.018 30 10 IKEE COC(=O)c1ccc(/C=C2\Oc3c(ccc(OC(=O)/C=C/c4cccs4)c3C)C2=O)cc1 1871380883 HXSYBIZAQSDCSQ-HGKZOJRLSA-N 446.480 5.078 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCCCOc4ccc(Cl)cc4)cc(C)c3C2=O)cc1 1871404575 FLSOHOAOCUSQJB-XYGWBWBKSA-N 448.946 6.675 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccc(C)cc4)cc(C)c3C2=O)cc1 1871405738 GMQFQCPMJFPMPM-QETRNLNESA-N 441.527 5.888 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(O[C@@H](C)C(=O)Nc4cc(C)ccc4C)c3C)C2=O)c1 1871411919 MDAYARUBJVCIQF-FXONECCMSA-N 441.527 5.942 30 10 IKEE COc1ccc(OCCCOc2ccc3c(c2C)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871415738 QPBDSTLPKZIDSL-UQQQWYQISA-N 430.500 5.776 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O 1871424752 VPSQDFDUWMAEMW-QRVIBDJDSA-N 447.918 5.845 30 10 IKEE CCOc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2cccs2)C3=O)cc1 1871452741 WZZUFWCEGJWNTK-BKUYFWCQSA-N 435.501 5.089 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4OC)cc(C)c3C2=O)cc1 1871458352 GWONWJIUWCSADL-OYKKKHCWSA-N 443.499 5.200 30 10 IKEE C=CCN([C@H](C(=O)Nc1cc(C)cc(C)c1)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 1871994201 USRYJBRXPGUXMR-VWLOTQADSA-N 448.588 5.169 30 10 IKEE C=CCN([C@H](C(=O)Nc1cc(C)cc(C)c1)[C@@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1871998718 VGCQSWZIZVIISH-RDPSFJRHSA-N 442.625 5.150 30 10 IKEE COc1ccc(OC)c(-c2csc([C@@H](C#N)C(=O)COc3c(C)ccc(C)c3C)n2)c1 1872771591 XNQJSBCWKADFRA-IBGZPJMESA-N 436.533 5.008 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3C(=O)c3ccccc3)n2)cc1C 1872782600 LCUXOHQWKOAYSX-HSZRJFAPSA-N 436.536 6.148 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccc(Cl)cc3)n2)c(OC)c1 1872784212 QAWDYFANHWJFFR-SCLBCKFNSA-N 442.924 5.124 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccc(Cl)cc3)n2)cc1C 1872787452 JZPSTHSHMGVXCQ-BEFAXECRSA-N 440.952 5.733 30 10 IKEE N#C[C@H](C(=O)c1cc(Cl)ccc1Cl)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872787468 KEBUKJVGIVCGRO-CYBMUJFWSA-N 442.154 6.914 30 10 IKEE N#C[C@@H](C(=O)c1ccc(-n2cccc2)cc1)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872787493 KSFLOQSNJILESX-SFHVURJKSA-N 438.339 6.398 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(CC)cc2)=C(c2cccnc2)C1=O 1873265620 SOMWLRAXRAZBBF-UHFFFAOYSA-N 433.596 5.977 30 10 IKEE N#Cc1cccc(NC2=C(c3ccc(-c4ccccc4)cc3)C(=O)N(C3CCCC3)C2=O)c1 1873275138 UBBYXNGJMDBFCN-UHFFFAOYSA-N 433.511 5.360 30 10 IKEE C=CCOc1ccccc1OCc1nc2ccccc2n1CC(=O)Nc1ccccc1C 1873517739 SJHJORMOTOITPF-UHFFFAOYSA-N 427.504 5.127 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)c(Cl)c2)cc2c(N3CCC(C)CC3)ncnc21 1873644494 TYQGLQFSGYQNSE-UHFFFAOYSA-N 444.366 5.413 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1cc(Cl)cc(Cl)c1)n2CC 1873656305 XLFVOLSQAOMENG-UHFFFAOYSA-N 430.339 5.189 30 10 IKEE CCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1/N=C/c1cccc(C)c1 1874194707 CWAKHQSZTSJOGL-NLRVBDNBSA-N 436.625 5.890 30 10 IKEE CCCSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1ccccc1O 1874206563 IFMIOEZBVBVCAQ-SSDVNMTOSA-N 437.352 5.254 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1cc(Cl)ccc1O 1874231122 SUCJTMYPGDNALZ-FOKLQQMPSA-N 449.363 5.338 30 10 IKEE CCCOc1ccc(/C=N/n2c(COc3ccc(Cl)cc3)nnc2SCC)cc1 1874263047 FJLULCFGCFPMDZ-OEAKJJBVSA-N 430.961 5.294 30 10 IKEE Cn1cccc1/C=N/n1c(Cc2ccc(Cl)cc2)nnc1SCc1cccc(F)c1 1874337448 YGUVFGSDCNTWRP-AFUMVMLFSA-N 439.947 5.174 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccccc2F)n1/N=C/c1ccccc1F 1874373894 XGFKMQBSZLFWFU-JFLMPSFJSA-N 434.515 5.630 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874438881 YIFBNEMADHNMTL-ZMOGYAJESA-N 433.408 6.348 30 10 IKEE Clc1ccc(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2ccccc2)c(Cl)c1 1874450406 AUVPTFZDIVAXDL-KCDOPAPYSA-N 433.364 5.611 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1c[nH]c2ccccc12 1874482903 UBURHFFVRVAYFO-ZMOGYAJESA-N 434.525 5.140 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C(C)(C)C)cc1 1874485791 MVSBUSUVMDNACF-AFUMVMLFSA-N 427.017 6.527 30 10 IKEE COc1cccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CCC2)c1O 1874497323 FGKJKOJBZHNGTD-FSJBWODESA-N 428.945 5.088 30 10 IKEE CCCc1nnc(SCc2ccccc2C)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874504858 DXUYWMQOEFCDHK-MFKUBSTISA-N 438.597 5.509 30 10 IKEE O=C(O)c1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CC2)cc1 1874520541 JNVSJUWIFGLFKX-AFUMVMLFSA-N 428.517 5.181 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1 1874579338 JCPZVVRNAUUQPF-JXMROGBWSA-N 431.746 7.430 30 10 IKEE CCCOc1c(Br)cc(Br)cc1/C=C/C(=O)c1ccc(C)cc1 1874579453 PCGKRWCQZDWAKY-CMDGGOBGSA-N 438.159 6.205 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1 1874584067 VBXPWDPGWYOXBC-ZRDIBKRKSA-N 425.355 7.592 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccccc1OCc1cc(C)ccc1C 1874586424 MUXPASZFVPACGI-ZHACJKMWSA-N 441.354 7.094 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2)c(Br)c1OCc1ccccc1F 1874595561 RTPSDIWFOCZMJB-ACCUITESSA-N 441.296 6.072 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(Cl)c1OCc1ccc(C)cc1 1874603523 QYYSDIBZTLUIOZ-SDNWHVSQSA-N 446.974 7.011 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 1874605561 UKZWARMXDINAOY-UKTHLTGXSA-N 433.460 5.477 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 1874614144 HBUZUVQTRGJVFD-VZUCSPMQSA-N 428.271 6.377 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc(CC)cc3)ccc2OC)cc1 1874693895 BKWPIJNSCXDUTE-LZYBPNLTSA-N 430.500 5.772 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(Cl)c1OC(=O)CC(C)C 1875097643 VSIOTQKNACAXOR-FMIVXFBMSA-N 440.967 6.465 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(OC)c1OC(=O)c1ccc(C)cc1 1875100792 DGGHSYKGVRFOSA-SFQUDFHCSA-N 440.539 6.410 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)CSc1ccccc1 1875117697 IGXIXCGQWDCZRB-NTUHNPAUSA-N 449.484 5.197 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(C)c(C)c3)cc2)cc1 1875137396 KEWYTICNAFGEHY-LZYBPNLTSA-N 444.527 5.973 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC(=O)[C@@H](C)c1ccccc1 1875145480 NQXUISSYCWEOEX-PKHIPVCBSA-N 444.527 6.008 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)[C@H](C)c1ccccc1 1875148713 LOOMSDBAIKXVNO-VEGGFIAOSA-N 444.483 5.072 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(C)c3C)cc2)cc1 1875167405 CUCIVFFXFXQRBQ-OQLLNIDSSA-N 430.500 5.365 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)cc2)cc1 1875168507 GPZKJJVPCVKCEW-XNTDXEJSSA-N 428.528 5.973 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)CC2CCCCC2)c(Cl)c1 1875170876 UIBSNZNVOWKJND-PKNBQFBNSA-N 440.967 6.737 30 10 IKEE CCC[C@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1938168500 QXSJFTSIIRDLMM-AEFFLSMTSA-N 437.606 5.318 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CC12CCC(C#N)(N(C(=O)OC(C)(C)C)C1CCCC1)CC2 1942922682 TVWQIHRIBVTASL-BIOCXDLKSA-N 433.593 5.286 30 10 IKEE CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 2014634776 GKCWYJPGPOCDTE-MBSDFSHPSA-N 449.617 5.413 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]([C@](C)(C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)C1 2023584460 JIIGCNUBGMAVFH-QZMQVMSPSA-N 449.617 5.461 30 10 IKEE C=CCCCCCC[C@H](NC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2026020210 VZORFRSAUNHKRM-JYFHCDHNSA-N 429.649 5.270 30 10 IKEE COc1ccc(Br)cc1C=CC(=O)c1ccc(OC(=O)c2cccs2)cc1 2040751182 XRHGQZQIQFRREW-UHFFFAOYSA-N 443.318 5.635 30 10 IKEE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1C#N 2054197703 UCGRVJPDVNJUPV-ISJGIBHGSA-N 433.596 5.489 30 10 IKEE C=C(c1ccccc1)[C@@H](NCCC)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2076570486 ATPUTMPWWXXUPX-JWQCQUIFSA-N 437.628 5.093 30 10 IKEE Cc1ccc([C@H](n2nc(C3CCC3)c(C#N)c2I)C2(C)CC2)cc1 2079002836 PAGLGWIVVFIUGB-SFHVURJKSA-N 431.321 5.325 30 10 IKEE CCc1ccc([C@@H](n2nc(C3CCC3)c(C#N)c2I)C(C)(C)C)cc1 2079078384 LFNNYYMYDFTYAF-LJQANCHMSA-N 447.364 5.825 30 10 IKEE CCc1ccc([C@H](CC)n2nc(C(C)(C)C)c(/C=N/O)c2I)cc1 2079112270 QYKYFSLSBJYHDX-GKXUUXLPSA-N 439.341 5.155 30 10 IKEE CCCc1ccc([C@@H](C2CCC2)n2nc(C(C)(C)C)c(C=NO)c2Br)cc1 2079878992 WLCDEQSYEGKACL-LJQANCHMSA-N 432.406 6.093 30 10 IKEE CC(C)N[C@@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)C1CCCC1 2086676602 QLCCHNNMBLKQGO-NDEPHWFRSA-N 432.656 5.071 30 10 IKEE CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)c(Br)c2)c2ccccc2C1 2174812634 NAIDIEXGUBRREC-UHFFFAOYSA-N 428.330 5.210 30 10 IKEE CC(C)(C)OC(=O)NC1(c2ccccc2Nc2ccc(C#N)cc2Br)CC1 2199693346 OJJFYUDDBYJEOO-UHFFFAOYSA-N 428.330 5.578 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](O)c1sc(C)c(Br)c1C 2226504966 JKCDKIFQMONLTK-VQTJNVASSA-N 438.431 5.302 30 10 IKEE CN[C@@H](C#Cc1ccc(C)cc1)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2239731520 IILSXBBJNQBJDQ-FQEVSTJZSA-N 429.358 5.417 30 10 IKEE C=CCC1(NCc2c(F)ccc(Br)c2F)CCN(C(=O)OC(C)(C)C)CC1 2239765041 ISRUTMRBLNTMDU-UHFFFAOYSA-N 445.348 5.163 30 10 IKEE CCN[C@@H](C#CC1CCCCC1)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2251406267 BIFPRVBFBZMIRW-ZEQRLZLVSA-N 428.617 5.048 30 10 IKEE C#CCCC[C@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2262876146 ZMUSBVCTXCSOKR-SANMLTNESA-N 429.560 5.665 30 10 IKEE CCCCCCCCC[C@@](C)(CN)N(CCN(C)Cc1ccccc1)Cc1ccccc1 2263634860 DVTDXXHPAMLYQU-LJAQVGFWSA-N 437.716 6.479 30 10 IKEE C=CCCC1(C(=O)c2cc(Br)cc(C(C)C)c2)CN(C(=O)OC(C)(C)C)C1 2280967199 PYFRBRMPMUWVPS-UHFFFAOYSA-N 436.390 5.959 30 10 IKEE CC1(C)OB(c2csc(C(=O)Nc3ccc(Cl)cc3Cl)c2Cl)OC1(C)C 2282641794 FHOQTBMFBVEAJA-UHFFFAOYSA-N 432.565 5.260 30 10 IKEE COc1cc(C(=O)C#Cc2cccc(Br)c2)ccc1NC(=O)OC(C)(C)C 2296224515 KZMSNFXTCPTIRS-UHFFFAOYSA-N 430.298 5.039 30 10 IKEE COc1cc(C(=O)C#Cc2ccc(Br)cc2)ccc1NC(=O)OC(C)(C)C 2296289310 QHRKUTTYNBELNI-UHFFFAOYSA-N 430.298 5.039 30 10 IKEE O=C1C(=CNc2ccc(Br)cc2)Nc2ccc(Br)c(Cl)c21 2297315969 RPJMHQHFPUUBIR-UHFFFAOYSA-N 428.511 5.427 30 10 IKEE CCCOc1ccc(C=NNc2cc(C)nc(-c3ccc(Br)cc3)n2)c(O)c1 2297708694 HZCRIIWZMQNDPD-UHFFFAOYSA-N 441.329 5.155 30 10 IKEE O=C1C(=O)N(c2ccccn2)[C@@H](c2cccc(Oc3ccccc3)c2)C1=C(O)c1ccccc1 2297740269 QBAIHOWWWJMBPH-VWLOTQADSA-N 448.478 5.500 30 10 IKEE O=C1NC(=Nc2ccc(F)cc2)SC1=Cc1cn(Cc2ccc(F)cc2)c2ccccc12 2313557559 GLHZAVJVAKPNBV-UHFFFAOYSA-N 445.494 5.859 30 10 IKEE O=C1NC(=Nc2ccc(F)cc2)C(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)S1 2314482378 JLSMCZBFTNCLTK-UHFFFAOYSA-N 433.291 6.920 30 10 IKEE COC(=O)c1ccc2c(c1)C(=O)C(=Cc1ccc(-c3ccc(Br)cc3)o1)O2 2314519403 MVCOCJYBJLRWRL-UHFFFAOYSA-N 425.234 5.112 30 10 IKEE CCN1C(=O)C(=Cc2ccccc2OCc2ccc(C)cc2)SC1=Nc1cccc(C)n1 2314540070 ICIYVYJDHAEHDQ-UHFFFAOYSA-N 443.572 5.901 30 10 IKEE COc1cccc(C(=O)C=CC(=O)NCC[C@H](C)c2cccc(-c3ccc(O)cc3)c2)c1 2320927749 RERDCZHHLNNIPH-IBGZPJMESA-N 429.516 5.117 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1cccc(OC)c1O 2321020518 FPJDNVLDADYKTE-UHFFFAOYSA-N 437.352 5.036 30 10 IKEE O=C1C(=Cc2ccccc2OC(F)F)Oc2cc(OCc3cccc(Cl)c3)ccc21 2321762475 WMPHYWXBHBPNPT-UHFFFAOYSA-N 428.818 6.137 30 10 IKEE COc1ccccc1CN1COc2ccc3c(c2C1)OC(=Cc1ccc(C(C)C)cc1)C3=O 2321993772 YSJOWIIMFQXVAX-UHFFFAOYSA-N 441.527 5.787 30 10 IKEE CCc1ccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3ccc(Cl)cc3)C4)C2=O)cc1 2322305500 ICXMMJDJHHIBPZ-UHFFFAOYSA-N 445.946 6.179 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccccc1C=CC(=O)c1ccc2ccccc2c1 2322312460 AOYCKFHPHDSUMC-UHFFFAOYSA-N 435.523 6.370 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(Br)ccc2OC)cc1OCCC 2322502718 MSLVNWZIYJJNAH-UHFFFAOYSA-N 433.342 5.931 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2cccc3ccccc23)cc1 2322552889 RGMWRHBTRICFQM-UHFFFAOYSA-N 442.942 7.367 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc3c(c2)OCO3)c1OCc1ccccc1F 2322698793 ANQYEDSNKCJNCW-UHFFFAOYSA-N 440.854 5.692 30 10 IKEE CCCN(CCC)C(=O)COc1ccccc1C=CC(=O)c1cc(Cl)ccc1OC 2323022171 HPBZHKPTHCMPQW-UHFFFAOYSA-N 429.944 5.272 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1c(OCc2ccccc2)ccc2ccccc12 2323022418 GVKSKSDXVQKIEH-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE Cc1cc(OC(=O)C(Cl)(Cl)Cl)cc2c1C(=O)C(=Cc1cccc(Cl)c1)O2 2323035026 MEWGMLOWDLYKHB-UHFFFAOYSA-N 432.086 5.540 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(OC)c2)cc(OC)c1OCc1ccc(F)cc1 2323510787 NFQFJBMMBDBTSB-UHFFFAOYSA-N 432.491 6.047 30 10 IKEE CCOc1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1 2323511852 YBMRIBBTWLIIFH-UHFFFAOYSA-N 444.458 5.768 30 10 IKEE CCCOc1c(Cl)cc(C=Nn2c(Cc3ccccc3)nnc2SC)cc1Cl 2323582887 XJVXVMAXDHNDOM-UHFFFAOYSA-N 435.380 5.569 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCc3cc(C)ccc3C)c(OCC)c2)cc1 2323840306 LDCNVDFCJQDDMY-UHFFFAOYSA-N 430.544 6.576 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Cl)c1OCC(=O)OCC(C)C 2323858068 ANMLJWGPWJUPSU-UHFFFAOYSA-N 444.955 5.830 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 2324055300 NUOLBZBRKAXHDB-UHFFFAOYSA-N 439.382 7.766 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 2324059247 JTUQPCJTCMTRPU-UHFFFAOYSA-N 449.934 7.021 30 10 IKEE CC(C)(C)c1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 2324352065 FHRYRHQMVQPROG-DEOSSOPVSA-N 436.580 7.150 30 10 IKEE C=CCOc1c(Br)cc(C=CC(=O)c2cc(C)c(OC)cc2C)cc1OCC 2324645763 RDEPXWKOYJTVQL-UHFFFAOYSA-N 445.353 5.934 30 10 IKEE CCCC[C@@H](Oc1ccc2c(c1C)OC(=Cc1ccc(Cl)cc1Cl)C2=O)C(=O)O 2324781287 MNOWQNRWMUKQHZ-GOSISDBHSA-N 435.303 5.940 30 10 IKEE CCOC(=O)c1ccc(COc2cc(C)c3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)o1 2325402329 ODNKGUJKZSANEA-UHFFFAOYSA-N 446.499 6.083 30 10 IKEE COc1ccccc1C=Nn1c(CCc2ccccc2)nnc1SCc1ccc(C)cc1 2325427703 OYQQLYDZQBCMRA-UHFFFAOYSA-N 442.588 5.555 30 10 IKEE CC(C)c1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(O)cc4)ccc3C2=O)cc1 2325547057 DFPXYDAXSOUDHS-UHFFFAOYSA-N 429.472 5.149 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1cccc(OCC)c1 2325565311 TXMDJWFMXVTJSY-UHFFFAOYSA-N 430.577 5.957 30 10 IKEE CCCOc1cccc(C=CC(=O)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1 2325668750 JNQQVJVJGJJLLI-UHFFFAOYSA-N 435.907 6.142 30 10 IKEE CCOc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)cc1 2325705298 LEOJTZGRAMJQTN-UHFFFAOYSA-N 447.462 5.167 30 10 IKEE C[C@@H](C(=O)Oc1cccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)c1)c1ccccc1 2325754912 ATYLQCBYAWNCPE-JOCHJYFZSA-N 448.518 7.084 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2cccc(OC(=O)COc3c(C)cccc3C)c2)c1C 2325757007 XMALOJYYIGPEQJ-UHFFFAOYSA-N 442.555 6.418 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)c3ccccc3Br)c2)c(C)c1 2325764684 LHVWFXHXJOSPQM-UHFFFAOYSA-N 449.344 6.490 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1N=Cc1c(C)n(CC)c2ccccc12 2326389246 BWDMLNKCJOFSEW-UHFFFAOYSA-N 445.636 6.387 30 10 IKEE Cc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2cc(C)cc(C)c2)cc1 2326426190 CDYIKZWXGCVQHS-UHFFFAOYSA-N 426.589 5.969 30 10 IKEE CCCOc1ccc(C=Nn2c(CC)nnc2SCc2ccccc2Cl)cc1Cl 2326545975 HOZBJZAAAQGXAG-UHFFFAOYSA-N 449.407 6.111 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccccc1OC 2327546856 QWRVCUKKFQRCIJ-UHFFFAOYSA-N 428.945 5.070 30 10 IKEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1cccc2ccccc12 2328075381 BMVVCZAMDIEEFW-UHFFFAOYSA-N 432.980 6.030 30 10 IKEE CCCOc1cccc(C=Nn2c(COc3cccc(C)c3C)nnc2SCCC)c1 2328858314 VHGWRCSGLOCDRB-UHFFFAOYSA-N 438.597 5.647 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(Cl)cc3)n2N=Cc2ccc(O)cc2)c1 2329084857 QHRZUOILGBDIJR-UHFFFAOYSA-N 448.979 5.711 30 10 IKEE Clc1ccc(CSc2nnc(CCOc3ccccc3)n2N=Cc2cccnc2)cc1 2329210053 CNAAPDJKFNOUJY-UHFFFAOYSA-N 449.967 5.123 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2N=Cc2ccccn2)cc1 2329288500 VCRIHEBIADIVBF-UHFFFAOYSA-N 449.967 5.100 30 10 IKEE COc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2N=Cc2cccnc2)cc1 2329292510 WQRWQBQWLTYJNA-UHFFFAOYSA-N 449.967 5.100 30 10 IKEE Cc1cccc(CSc2nnc(CCc3cccs3)n2N=Cc2cc(C)ccc2O)c1 2329641179 FWMGREWMRSNBQC-UHFFFAOYSA-N 448.617 5.622 30 10 IKEE CCc1ccc(C=Nn2c(CCc3cccs3)nnc2SCc2cccc(C)c2)cc1 2329641192 IQYAUSRBUJHVMQ-UHFFFAOYSA-N 446.645 6.170 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(F)cc3)n2N=Cc2ccccc2F)cc1 2329799721 AZIZLIUCZQPYBG-UHFFFAOYSA-N 434.515 5.630 30 10 IKEE Cc1ccsc1C=Nn1c(Cc2ccc(F)cc2)nnc1SCc1ccc(F)cc1 2329811778 HSDIEOMZMIUWTN-UHFFFAOYSA-N 440.544 5.692 30 10 IKEE C=C(C)CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1ccc(N(CC)CC)cc1 2330108998 RDFXHDXZRSXPNG-FQEVSTJZSA-N 433.625 5.827 30 10 IKEE COc1ccccc1C=Nn1c(SCCc2ccccc2)nnc1[C@H](C)c1ccccc1 2330110840 OGXCRLROXIBTEC-HXUWFJFHSA-N 442.588 5.656 30 10 IKEE Fc1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccc(F)cc2F)cc1 2330459395 MELKLXGPNQCAIB-UHFFFAOYSA-N 438.478 5.461 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C=Cc1ccc(C(C)(C)C)cc1 2330467413 DYCOAUJSFDOHQR-RUZDIDTESA-N 448.582 5.065 30 10 IKEE FC(F)(F)c1ccc(C=Nn2c(SCc3ccccc3)nnc2-c2cccs2)cc1 2330582171 AOVHZVBSKOPTID-UHFFFAOYSA-N 444.507 6.200 30 10 IKEE Fc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2-c2ccccc2)c(F)c1 2330674803 LJVNBGPDWJQFEE-UHFFFAOYSA-N 440.906 6.051 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(Cl)c1OC(=O)c1cccnc1 2330676774 NWEMHGAWTJKIGI-UHFFFAOYSA-N 447.918 5.738 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc(OC)cc(OC)c3)cc2)cc1 2330824597 URRAPPZQPQYSIV-UHFFFAOYSA-N 444.527 6.162 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)cc2)cc1C 2330855634 NNJJXHWITXGICU-XZOQPEGZSA-N 446.930 6.262 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)CCCSC)c(OC)c2)cc1 2330952011 OBDXWMBHLLTODL-UHFFFAOYSA-N 434.941 5.302 30 10 IKEE FC(F)(F)c1nnc(SCc2cccc3ccccc23)n1N=Cc1cccc(Cl)c1 2331149927 XSNMLUFZXHCPSL-UHFFFAOYSA-N 446.885 6.278 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC(=O)Cc1ccccc1Cl 2331156592 GLAFTLFPSDYMPM-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(-c3ccccc3)cc2)c(Cl)c1)c1ccccc1 2331165685 PMOZCJITFVIGPT-UHFFFAOYSA-N 438.910 7.122 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)CC(C)C)c(OCC)c2)cc1 2331305997 WXTAUPWWRXQORB-UHFFFAOYSA-N 444.955 6.375 30 10 IKEE COc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C(C)(C)C)cc1 2331402540 NIUOHKCAWZUEIU-UHFFFAOYSA-N 430.577 5.912 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3)c(Br)c2)cc1 2331496168 UHNFZDIGXWZVPN-UHFFFAOYSA-N 449.344 6.688 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 2331534459 KNFMBBRQQRHQKK-UHFFFAOYSA-N 435.407 5.248 30 10 IKEE CCCC(=O)Oc1ccc(C=CC(=O)c2cc(OCC)ccc2OCC)cc1OCC 2331684492 INKKPZYTPVVWKT-UHFFFAOYSA-N 426.509 5.484 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)C3CCC3)c(OCC)c2)c1 2331684594 YEFXTXSPVNGSEQ-UHFFFAOYSA-N 438.520 5.484 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc(OC)c1OC(=O)C(C)(C)C 2331789589 FOPDGGWAUFJSRM-UHFFFAOYSA-N 438.564 6.157 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3)c(Cl)c2)cc1C 2331841051 DGSLAVLEGQBNBP-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(F)cc2)c(Cl)c1 2331876737 VDTCARWINAAIRN-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE C=C[C@@](C)(CN[C@H](C)CC)Cc1ccc(I)c(Br)c1 2349917100 OCPREDUGSKKOQS-MLGOLLRUSA-N 436.175 5.177 30 10 IKEE CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C)cc3)C2)[C@H]1c1ccc(C)cc1 18163525 BLSOHRQWVXXHHO-MUAVYFROSA-N 436.555 6.224 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)CCSc2n[nH]c(N/N=C/c3ccc(F)cc3)n2)cc1 20833204 WHQGMNWUNQCCKK-LZCVXGSNSA-N 440.548 5.024 30 10 IKEE CCOc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccccc1OC)C2 21242297 KUYIVVPDDMQZIR-WRHNGFHOSA-N 440.543 6.073 30 10 IKEE COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccccc1[N+](=O)[O-] 21259140 ZFDTZPJYDJAGJM-YHAMSUFESA-N 441.487 5.583 30 10 IKEE Cc1cc(S[C@H](C)C(=O)Nc2c(C#N)cnn2-c2ccccc2)nc2c(C)cccc12 32528736 SBCNHSBYDUAFMP-QGZVFWFLSA-N 427.533 5.028 30 10 IKEE Cc1cccc(N/C(=N\C(=O)c2ccc(C(C)(C)C)cc2)NCc2c(C)nn(C)c2C)c1 32972320 VTKXRCJRVKAGCL-UHFFFAOYSA-N 431.584 5.041 30 10 IKEE Cc1cc(Cl)ccc1N/C(=N\C(=O)c1cccc(Cl)c1)NCc1c(C)nn(C)c1C 32972362 UJUIFWPREHFQDK-UHFFFAOYSA-N 444.366 5.050 30 10 IKEE O=C1/C(=C/C=C\c2ccccc2)Oc2cc(OCc3c(F)c(F)c(F)c(F)c3F)ccc21 33714717 XHEBTDIKJNMGDA-XWSNBJDESA-N 444.355 6.134 30 10 IKEE O=C(/C=C\c1ccccc1Cl)c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1 33779727 FGWISKKKODKKDN-AUWJEWJLSA-N 433.312 5.657 30 10 IKEE Cc1ccc(-n2c(C)cc3c2CC(C)(C)C/C3=N\OC(=O)COc2ccccc2)cc1C 39853151 FCMPMEISCNOPIN-ZZIIXHQDSA-N 430.548 5.701 30 10 IKEE C=CCOc1ccc([C@@H]2c3c(-c4cc(Cl)ccc4O)n[nH]c3C(=O)N2CCCC)cc1 39898459 DLIUGJMYPGZZEE-HSZRJFAPSA-N 437.927 5.346 30 10 IKEE C=CCc1ccccc1OCCn1c([C@H](C)NC(=O)C2CCCCC2)nc2ccccc21 40188185 NSXYOJDKGWBONE-FQEVSTJZSA-N 431.580 5.601 30 10 IKEE C=CCc1ccccc1OCCn1c([C@H](C)NC(=O)c2cccs2)nc2ccccc21 40196744 ZDISUWSBJWHCNN-SFHVURJKSA-N 431.561 5.396 30 10 IKEE Clc1ccc(CSc2n[nH]c(N/N=C/c3cccc(Oc4ccccc4)c3)n2)cc1 58994501 DZSGEAWJJWYTCZ-ZVHZXABRSA-N 435.940 5.989 30 10 IKEE Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccccc4C(F)(F)F)o3)S2)c(C)c1 59219900 CYAMQCQYPRGCIT-UDWIEESQSA-N 442.462 6.474 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OCc4ccc(C)cc4)cc(C)c3C2=O)cc1 62942262 XAOZEPVMIRCOHP-QQXSKIMKSA-N 427.544 6.345 30 10 IKEE O=C1/C(=C2/C(=O)c3ccc(Cl)c4c(Br)ccc2c34)Sc2ccccc21 98027874 FEMHCBZWAALZHS-SILNSSARSA-N 427.706 6.152 30 10 IKEE C[C@H](/N=C\c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)c1ccccc1 102401995 NHIVKJVPLGQPJF-XYXQARLXSA-N 429.567 7.222 30 10 IKEE CCCOc1ccc(/C=N\Nc2nc(-c3ccccc3OC)cs2)cc1Br 169940404 PPTOKLBOEZISOU-UUYOSTAYSA-N 446.370 5.816 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccc(O)cc2)c(C)c1 169961576 OMHUBYSZSMZDTL-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(OC(C)C)c2)cc1 169981525 QRNVBJWMZUJJFK-HSZRJFAPSA-N 435.520 5.003 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)C)cc2)[C@@H]1c1ccccn1 169992056 VNWPOVLAIRBTDA-HSZRJFAPSA-N 446.478 5.136 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2ccccn2)cc1C 169994418 UZJDMPAKGPVJMJ-QFIPXVFZSA-N 432.907 5.443 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2cccc3ccccc23)[C@@H]1c1ccccn1 169996179 MCXDEPHFSVSATB-AREMUKBSSA-N 434.495 5.337 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2)cc1 170028927 JWZFZKUXAJUUGZ-QFIPXVFZSA-N 433.891 5.522 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccccc2)c1 170036337 DVIQRAOWUZLVSC-JOCHJYFZSA-N 433.891 5.522 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2sccc2C)c1 170105731 KZWAKGXGVQNFDR-NRFANRHFSA-N 449.528 5.247 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2cccs2)c1 170139257 ZOVGUSQIFMAOCV-QMHKHESXSA-N 445.540 5.158 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2Cc2ccncc2)c1 170145009 GKNQCOWBKNIPNC-VWLOTQADSA-N 434.495 5.322 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)(C)C)c2)[C@H]1c1cccc(C)c1 170146620 OHKFJJXQKINHJZ-XMMPIXPASA-N 449.591 6.070 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2cccs2)c1 170153866 MXNUNTZLONXGCF-LJQANCHMSA-N 425.893 5.193 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@@H]1c1cccnc1 170190232 WBEUHIRFZISZGP-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccncc2)cc1C 170200508 NUFCLQQZSSCOGV-XMMPIXPASA-N 442.515 5.188 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 170226561 KLFFQTICHQOZDD-JOCHJYFZSA-N 433.891 5.522 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC(C)C)cc3)[C@H]2c2ccccc2)cc1 170227191 UPLYZXRZZFBMMQ-RUZDIDTESA-N 441.527 5.813 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2)cc1C 170231546 WSXASXBIDDEXKW-DEOSSOPVSA-N 433.548 5.695 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1ccc(Cl)cc1 170236628 LZNKWHCDQRILGK-JOCHJYFZSA-N 441.955 5.896 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@H]1c1ccc(CC)cc1 170268252 DRENOEGNPAFYAP-RUZDIDTESA-N 449.591 6.150 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc3ccccc23)[C@H]1c1ccco1 170287329 IWAJRPGMVLCTEN-DEOSSOPVSA-N 439.467 5.533 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1c1ccc(F)cc1 170314023 HPLGPEQEDOTAFK-QFIPXVFZSA-N 443.499 6.132 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2sccc2C)c1 170315111 OKUJLISAGVJTSI-OAQYLSRUSA-N 433.529 5.547 30 10 IKEE Cn1cc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccc(F)cc2)c2ccccc21 170424157 QNOSEMBYKPRHPF-DEOSSOPVSA-N 440.474 5.096 30 10 IKEE COc1cc([N+](=O)[O-])ccc1N=Cc1ccc(C=Nc2ccc([N+](=O)[O-])cc2OC)cc1 254293549 HFSFGVIBVDLEPX-UHFFFAOYSA-N 434.408 5.021 30 10 IKEE N#C[C@H](Nc1ccc(Cl)c(Br)c1)c1cccc(I)c1 306106808 SUDFYOXKTGXGLQ-AWEZNQCLSA-N 447.501 5.384 30 10 IKEE O=C(Nc1cc(Br)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)ccc1F 327101325 AYZZFMZKDIWZCF-UHFFFAOYSA-N 430.117 5.878 30 10 IKEE C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@@H]1CCc1ccoc1CNC1CCCCC1 504674331 UOIHMGVGVVIAEA-BJTFNZNYSA-N 441.656 6.586 30 10 IKEE biogenic CCOc1cc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccs2)ccc1OC 526515431 KFFDWSBEZHEGRX-QFIPXVFZSA-N 432.501 5.084 30 10 IKEE Cc1ccc(NC2=C(SCc3ccco3)C(=O)N(c3ccccc3C#N)C2=O)cc1Cl 526646908 IYZDKEQCFFJJEA-UHFFFAOYSA-N 449.919 5.243 30 10 IKEE CCOc1c(Cl)cc(/C=N\n2cnnc2SCc2ccc(F)cc2)cc1Cl 526801389 OBYPILZPSYHJAY-AQHIEDMUSA-N 425.316 5.297 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1/N=C\c1cccc(C(F)(F)F)c1 526803514 XFPYOKNCFIZIRV-ZMFRSBBQSA-N 436.478 5.953 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1ccc(N(CC)CC)cc1 526805503 NNKODIBPHCIKPR-ITYLOYPMSA-N 435.641 5.950 30 10 IKEE CCOc1cccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2cccc(C)c2)c1 526808329 GYDIBTIZUJWBQB-IMRQLAEWSA-N 442.588 5.751 30 10 IKEE Cc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccccc1OCC(C)C 526817852 ZZOWXNHIHHUVOW-MYKKPKGFSA-N 432.952 5.588 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccccc2O)c1 526819296 RIXMDPMDLQLKMV-PKAZHMFMSA-N 442.588 5.560 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1ccccc1C(F)(F)F 526819643 ZSNWQSQNNWJLJI-VYYCAZPPSA-N 446.542 6.431 30 10 IKEE N#Cc1c(-c2ccc(F)cc2)csc1NC(=O)CC(c1ccccc1)c1ccccc1 526910409 AZGLEENFLJKQTM-UHFFFAOYSA-N 426.516 6.587 30 10 IKEE N#Cc1cccc(C(=O)Oc2ccc(NC(=O)NC(c3ccccc3)c3ccccc3)cc2)c1 586534963 BTTQQGKSXFKXIX-UHFFFAOYSA-N 447.494 5.689 30 10 IKEE COc1nsc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(C)cc2)c1Br 690147304 BNAQGQNFTAMBHO-ZDUSSCGKSA-N 438.347 5.229 30 10 IKEE CN(C)c1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)cc1 698447234 SOAGVRPGHFSYFX-LJQANCHMSA-N 430.346 5.521 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCO[C@@H](C(F)(F)F)C1 698488929 MRPWYWDDGSTWSI-RHSMWYFYSA-N 449.267 5.194 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c1ccccc1F)C2 709469059 IBKOCTVNJARKIK-WOGXIUBCSA-N 445.535 5.249 30 10 IKEE Cc1ccc(-c2csc(NN=Cc3ccc(OCc4ccccc4Cl)cc3)n2)cc1 1084544654 RUFIANSLCQGIBO-UHFFFAOYSA-N 433.964 6.797 30 10 IKEE O=C1CS/C(=N\N=C2\Oc3ccccc3[CH][C@H]2c2ccc(Cl)cc2)N1c1ccccc1 1614732816 AERSYFCFJQBQQO-DHWVQMNSSA-N 446.939 5.518 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)SC1=Nc1nccs1 1772736498 URXZEDMDAZAZFQ-ZTPJVXOPSA-N 427.938 5.847 30 10 IKEE Cc1csc(N=C2S/C(=C/c3cccc([N+](=O)[O-])c3)C(=O)N2C2CCCCC2)n1 1772739468 RSDYICPEHWNQRH-BNCGLULESA-N 428.539 5.296 30 10 IKEE C=CCOc1ccc(/C=C2\SC(=Nc3nc(C)cs3)N(C3CCCCC3)C2=O)cc1 1772740192 WLVIVOSALIBROR-VASVRFFCSA-N 439.606 5.953 30 10 IKEE CC(/C=C1\SC(=NN=Cc2cccs2)N(Cc2ccco2)C1=O)=C\c1ccccc1 1772757773 TWXLBPYDFKOZOC-QMJFFZQDSA-N 433.558 5.794 30 10 IKEE Cc1ccc(NC(=S)N/N=C\c2cn(-c3cccc(C)c3)nc2-c2cccs2)cc1 1857809506 SWCDDHWKOUOMFS-OYKKKHCWSA-N 431.590 5.538 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccccc2Cl)cc1 1862395034 MVWCIZQWILCNQP-HSZRJFAPSA-N 439.983 6.307 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(C(C)C)cc1 1862414763 IIKWLDRGQRGNKA-QFIPXVFZSA-N 443.490 5.092 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc3cc[nH]c3c2)c1 1862490824 DWGWGZGGAVZWBO-HSZRJFAPSA-N 426.472 5.156 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cccc(OCc2ccccc2)c1 1862513259 RKCRMUGNTDANRI-XMMPIXPASA-N 445.490 5.311 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(CC)cc1 1862548311 OTOHLZPXQBHGOM-VWLOTQADSA-N 447.575 5.133 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(C(C)C)cc1 1862584157 QUDSTKBORFXYLX-QKKBWIMNSA-N 446.374 6.494 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1cccc(F)c1 1862590791 PYJZUGRCUWVMDP-QFIPXVFZSA-N 425.500 5.470 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCCOC(C)C)cc1 1862649281 VBBIOFMIYAZRBE-VWLOTQADSA-N 443.543 5.542 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2[C@@H](C)CC)ccc1O 1862656206 YUWGOCSBJDZBBI-UPCLLVRISA-N 445.515 5.321 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2cccc(O)c2)cc1 1862664004 ZWXDAHYHEBHYCY-VXWZWFMZSA-N 433.548 5.673 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CCCC2)cc1O 1862666063 USWXBGGECZVNIP-QHCPKHFHSA-N 435.520 5.045 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cc(Cl)cc(Cl)c1 1862668239 UIXWFSJMAJVSBP-HXUWFJFHSA-N 432.347 6.105 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862676924 UUOKMDQFLFTZSE-HSZRJFAPSA-N 449.453 5.142 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cc(Cl)cc(Cl)c1 1862760707 UQUVFRSPCFOPMD-GOSISDBHSA-N 449.290 5.136 30 10 IKEE Cc1cccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3cccc4ccccc34)C2=O)c1 1862845535 XSZVTDHFDDJBDN-UHFFFAOYSA-N 429.479 5.417 30 10 IKEE N#Cc1cccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(Cc3ccc(Cl)cc3)C2=O)c1 1863173747 XERVBXFMWMJXFO-UHFFFAOYSA-N 448.309 5.257 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2Cl)=C(c2ccc(F)cc2F)C1=O 1863317016 DAURPKZLLLSACG-UHFFFAOYSA-N 446.925 6.171 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(OCCCCCC)cc2)=C(c2ccccc2Cl)C1=O 1863442221 DWMSJWNCNWSAAH-UHFFFAOYSA-N 438.955 5.677 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@@H](C)CC)=C(c2ccc(OCCC)cc2)C1=O 1863683418 MWZOFOBZTYPASR-NRFANRHFSA-N 442.644 6.084 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccccn2)=C(c2cc(C)ccc2C)C1=O 1863740182 PCVRXHNUZZJHSJ-UHFFFAOYSA-N 447.623 5.709 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC[C@H](Oc3ccccc3)C2)nc(Cc2ccccc2)n1 1869082181 CAONESNGZBXOCT-VWLOTQADSA-N 440.591 5.294 30 10 IKEE C=CCN(CC=C)c1cc(N2CCO[C@H](c3cccc(Cl)c3)C2)nc(-c2ccccc2)n1 1869208057 MCZCIOWLRWBSRE-QHCPKHFHSA-N 446.982 5.553 30 10 IKEE CCCCCCCCCCn1cc(OCc2ccccc2F)c(=O)cc1CSC(C)C 1870231086 FSYWGOPBEINFDO-UHFFFAOYSA-N 447.660 7.349 30 10 IKEE CCCCCCCCCCn1cc(OCCCCCCC)c(=O)cc1CSC(C)C 1870251737 SWCXSEUYTNPSDI-UHFFFAOYSA-N 437.734 7.980 30 10 IKEE C=CCn1cc(OCCOc2ccccc2)c(=O)cc1CNc1cc(Cl)cc(Cl)c1 1871046244 VRVALQTWZXEGDK-UHFFFAOYSA-N 445.346 5.411 30 10 IKEE COc1ccc([C@@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2ccccc2OC)C4=O)cc1 1871354494 RZXZRHVZPSAVFM-YMKHCOABSA-N 443.499 5.233 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc(F)cc4)cc(C)c3C2=O)cc1 1871365856 HMBZAYRQRZSRRU-NFOYZZEQSA-N 444.458 5.768 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O)c1ccc([N+](=O)[O-])cc1Cl 1871373642 BCTBYOGVGXJEMW-UKWGHVSLSA-N 439.782 5.223 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(F)c2)C3=O)c1 1871387940 QOWNUGISRKUGGS-UCQKPKSFSA-N 432.447 5.758 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCCCCOc4ccccc4)cc(C)c3C2=O)cc1 1871403650 RNIHEWKJPBIFMV-ITYLOYPMSA-N 444.527 6.248 30 10 IKEE CCc1ccc(NC(=O)[C@@H](CC)Oc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 1871426043 TWYFRXUXSRLWCA-UELZEPHDSA-N 445.490 5.800 30 10 IKEE N#C[C@@H](C(=O)CCCOc1ccc(Cl)cc1)c1nc(-c2ccc(F)c(F)c2)cs1 1872779993 XCRDZOXBOIGLBV-INIZCTEOSA-N 432.879 5.777 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)c3cccc(Br)c3)n2)cc1C 1872787099 AWWYSCAKZZEPLF-QGZVFWFLSA-N 441.350 5.688 30 10 IKEE CCCCCCCCCCNC1=C(c2cccnc2)C(=O)N(C2CCCCCC2)C1=O 1873077318 URVCQAFWYZZGJW-UHFFFAOYSA-N 425.617 5.615 30 10 IKEE CCCCCCCCCCNC1=C(c2cccs2)C(=O)N(CCC2=CCCCC2)C1=O 1873155842 JZBUYLFPTPKGQC-UHFFFAOYSA-N 442.669 6.449 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc([N+](=O)[O-])ccc2C)=C(c2ccccc2)C1=O 1873413758 NRWJAOUJDGUIBA-UHFFFAOYSA-N 435.524 5.456 30 10 IKEE COc1ccc(/C=N/Nc2ccc(Cl)c(Cl)c2)cc1OCc1ccccc1Cl 1873498949 SXWRJIBZWBIUFB-BRJLIKDPSA-N 435.738 6.680 30 10 IKEE CCOc1cc(/C=N/n2c(S)nnc2Cc2ccccc2)ccc1OCc1ccccc1 1873504765 KNLHYTCDUMPTFU-YZSQISJMSA-N 444.560 5.018 30 10 IKEE C=CCn1c(C(=O)Nc2cc(C)cc(C)c2)cc2c(NCc3ccc(F)cc3)ncnc21 1873611794 SAPDLRPFZAEWIX-UHFFFAOYSA-N 429.499 5.238 30 10 IKEE CCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccc(Cl)cc1Cl 1874255081 JREKLHLQWFZLMS-BHGWPJFGSA-N 449.407 6.083 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCCO)nnc1C1CCC(CCCC)CC1 1874286772 XUIRLZCMTJSLPE-XIEYBQDHSA-N 442.629 5.274 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccc(C)c(C)c3)n2/N=C/c2cccn2C)cc1 1874318999 UYPZGPULFWOQLR-CVKSISIWSA-N 445.592 5.295 30 10 IKEE COc1cccc(/C=N/n2c(CCc3cccs3)nnc2SCc2ccc(C)cc2)c1 1874369305 UGZNRZYTCDTBIS-PCLIKHOPSA-N 448.617 5.616 30 10 IKEE O=[N+]([O-])c1cccc(/C=N/n2c(Cc3ccccc3F)nnc2SCc2ccccc2)c1 1874375630 GBSBNBMVOZHUCD-MFKUBSTISA-N 447.495 5.091 30 10 IKEE C=C(C)CSc1nnc(CC2CCCCC2)n1/N=C/c1ccc(OCC)c(OCC)c1 1874407951 XPCVCPMEGCYTCD-PCLIKHOPSA-N 442.629 5.749 30 10 IKEE CC(C)(C)c1ccc(/C=N/n2c(Cc3cccs3)nnc2SCc2ccccc2)cc1 1874412097 BUUKMGXXAPHION-YZSQISJMSA-N 446.645 6.402 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1cccs1 1874421482 NVFKXCQQQBVFOH-LPYMAVHISA-N 435.534 5.398 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccc(C)cc2)cc1 1874435776 WZQYSURFKRDECI-OVVQPSECSA-N 449.668 6.196 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2ccccc2C)nnc1[C@H]1CCCO1 1874444046 RDDDLXJWNSQHQF-NJRDNMGOSA-N 436.581 5.401 30 10 IKEE Clc1ccccc1CSc1nnc([C@@H]2CCCO2)n1/N=C/c1c[nH]c2ccccc12 1874446095 SMKFBGBKWOYQAT-HMHIXTCJSA-N 437.956 5.439 30 10 IKEE COc1ccc(OC)c(/C=N/n2c(SCc3cccc(C)c3)nnc2-c2ccco2)c1 1874465834 CWMYHNYNWVZYNV-ZVHZXABRSA-N 434.521 5.038 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2sccc2C)c(C)c1 1874514549 DBOOOUFQKCXXAY-SSDVNMTOSA-N 427.599 5.001 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Cl)ccc1OCC(=O)Nc1ccccc1F 1874576779 FZGJCVSDAHXBHK-ZRDIBKRKSA-N 439.870 5.401 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1 1874579731 FPCKNIVBQFQQAL-WUKNDPDISA-N 440.514 7.243 30 10 IKEE Cc1cc(C(=O)/C=C/c2c(OCC(=O)Nc3ccccc3)ccc3ccccc23)ccc1F 1874581193 AZDJJDKRODVVNY-FYWRMAATSA-N 439.486 6.201 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OCC(=O)Nc2ccc(C)cc2)c1 1874600757 BMIJLXKBAJFDBE-XYOKQWHBSA-N 435.907 5.571 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)cc1 1874607488 QNBXPHPGJYJZMT-GHRIWEEISA-N 443.543 5.951 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1 1874607738 CWYLBRDPLNXJOK-VGOFMYFVSA-N 444.369 5.373 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1Cl)Nc1ccc(F)cc1 1874609044 UZYWZYCLURMETF-VZUCSPMQSA-N 444.289 6.046 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCc3c(F)cccc3Cl)c([N+](=O)[O-])c2)cc1C 1874632946 DKEZZQIOGMDKDD-JXMROGBWSA-N 439.870 6.479 30 10 IKEE O=C(CCOc1ccccc1)Oc1cccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c1 1874693582 MAYLOMWGMOJUJL-DTQAZKPQSA-N 426.512 5.836 30 10 IKEE Cc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3cccc(Br)c3)c2)cc1C 1874697584 FKIOAIZRNLRERD-VAWYXSNFSA-N 449.344 6.110 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccccc2Cl)c1)c1cccc(Br)c1 1874697960 SZGJHURGAYBXLS-VAWYXSNFSA-N 441.708 6.218 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)[C@@H](C)c3ccccc3)c2)cc1 1874701453 TUIGLDMUVBIFSU-XLCPLWEUSA-N 430.500 5.699 30 10 IKEE O=C(COc1ccccc1)Oc1cccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1 1874702683 DYHUQZBTZXDCLV-FMIVXFBMSA-N 427.283 5.874 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cccc(Br)c3)c2)cc1 1874709516 FKNHGHFJRMALST-NTEUORMPSA-N 449.344 6.688 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(Cl)cc3Cl)c2)cc1C 1874714148 GPGKSOGLQCPKEM-YRNVUSSQSA-N 425.311 6.726 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(F)cc2)CSc2nnc(C(F)(F)F)n21 1874917906 MYHUHLBRAJWBMN-MRXNPFEDSA-N 444.498 5.498 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1OC(=O)C(C)C 1875105390 RVYJAJOJLVMZNV-VMPITWQZSA-N 441.738 6.503 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2Cl)cc(OC)c1OC(=O)c1cccs1 1875110379 IBCLLINJRAWZKU-VAWYXSNFSA-N 438.932 6.254 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2F)c([N+](=O)[O-])c1)c1ccc(F)cc1F 1875125078 PWNICEGJSKAPMB-WEVVVXLNSA-N 427.334 5.127 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc(C)cc(C)c3)c(OC)c2)cc1 1875138565 ALFFHBSKZYHNFX-WUXMJOGZSA-N 444.527 6.216 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1Cl 1875155597 KLAGZGYDCKVUFF-GZTJUZNOSA-N 441.011 8.016 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)C(C)(C)C)c(Br)c2)c(C)c1 1875182894 AAIQTOGLMOIEOP-VQHVLOKHSA-N 429.354 6.222 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OC 1875184518 FETMPNOGNDXQCZ-FYWRMAATSA-N 436.592 7.173 30 10 IKEE C=CCC1([C@@H](NCC)c2cc(F)ccc2Br)CN(C(=O)OC(C)(C)C)C1 1898447211 VSLPUKRMFUPVEU-KRWDZBQOSA-N 427.358 5.052 30 10 IKEE C=C(COCc1ccccc1)[C@@H](N)[C@H](O)c1ccc(-c2ccc(Br)cc2)s1 1922066577 VDRFGXSNQYHTNN-FGZHOGPDSA-N 444.394 5.311 30 10 IKEE CC(C)(C)OC(=O)N(CCCC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccccc1 1985172126 BSHIXUNJALBGON-UHFFFAOYSA-N 427.932 5.368 30 10 IKEE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCC#N)C(C)C 1985178611 BSZSPJOWPGWRDL-DFBJGRDBSA-N 447.579 5.090 30 10 IKEE CC(C)[C@@H](COc1cc(C#N)cc(Cl)n1)N(Cc1ccccc1)C(=O)OC(C)(C)C 1986473275 NHJRUOFRSVNHJF-LJQANCHMSA-N 429.948 5.447 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c1ccccc1)C2 1997330442 LLCUKJAUOBKQHD-NHKMSHSESA-N 427.545 5.252 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@]1(C#N)CC[C@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C1 2001955986 OBXUIGXCGOIEJR-KHCICDEESA-N 435.609 5.341 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@](C#N)(N(C(=O)OC(C)(C)C)C3CCC3)C[C@@H]21 2001959253 YPKWLXCPHNMWHD-VUMVONDWSA-N 433.593 5.238 30 10 IKEE CC[C@@]1(Nc2ccc(C#N)c(Br)c2)CCCN(C(=O)OCc2ccccc2)C1 2043970281 IFPSBIPNUVUKEI-JOCHJYFZSA-N 442.357 5.314 30 10 IKEE C#CCCCC[C@H](NCCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2053263006 BDGISFNNESKXKA-DEOSSOPVSA-N 441.660 5.108 30 10 IKEE CCN[C@]1(C#N)C[C@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)CC(C)(C)C1 2063662405 VDWIZPVSMDCBNX-IXCJQBJRSA-N 432.656 5.071 30 10 IKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)C1(C#N)CC2(C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)C1 2065408189 KYAGHORUEHYJRY-KPYUVFPJSA-N 447.620 5.626 30 10 IKEE CC#CCC[C@@H](NC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071359372 VRZFWYCPUJSYOJ-NAKRPHOHSA-N 429.560 5.270 30 10 IKEE CC(C)c1ccc([C@@H](n2nc(C3CC3)c(C#N)c2I)C2(C)CC2)cc1 2079930973 CNRAMXUIGQIQNN-LJQANCHMSA-N 445.348 5.750 30 10 IKEE Cc1ccc(Cn2nc(C3CCCCC3)c(C#N)c2Br)cc1Br 2080310648 UEBKEQTYBYDBLE-UHFFFAOYSA-N 437.179 5.684 30 10 IKEE COc1c2c(nc3c(-c4ccc(F)c(C(F)(F)F)c4)c(C(F)(F)F)nn13)CCCCC2 2081367115 SIUCXCKKZZTIRL-UHFFFAOYSA-N 447.354 5.851 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CC[C@@H](P(C)(C)=O)C1 2104502691 YGYIFLQZXGHMAP-VQIMIIECSA-N 441.306 5.628 30 10 IKEE CCCCCCCCCC(=O)c1ccc(Br)cc1I 2142285571 QWONOYYHNFNIFS-UHFFFAOYSA-N 437.159 6.377 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CC12CCC(C#N)(Nc1cccc(Br)c1)CC2 2158286690 WMYJDHPJECWNFE-TVRCVXMWSA-N 434.378 5.228 30 10 IKEE C#CC[C@@H]1CCCCN1C(=O)c1cc(NC(=O)OC(C)(C)C)c(C)cc1Br 2180073131 HHSAKEKWSBYSQI-OAHLLOKOSA-N 435.362 5.123 30 10 IKEE CC#C[C@@H](NCCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2218403526 QRIBATLILSXSQR-LEAFIULHSA-N 429.560 5.270 30 10 IKEE CCCN[C@H](C#CC(C)(C)C)c1cc(I)ccc1Br 2225434022 NYLUVTSGIJYQRK-OAHLLOKOSA-N 434.159 5.144 30 10 IKEE CCCCCCCC[C@@H](O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237396499 JXIKFDAKMHKRRR-WOJBJXKFSA-N 442.438 5.996 30 10 IKEE CC(C)[C@@H](C)N(Cc1ccccc1)C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2247801802 HSDMZUPIRVOIMP-MRXNPFEDSA-N 447.837 5.388 30 10 IKEE C=CC[C@H](C)[C@@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2262775652 ISLQOCVMHYHBNZ-RBISFHTESA-N 431.576 6.073 30 10 IKEE CC(C)n1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)CC(C)(C)C 2267506848 DXXWFGDDHSQHQJ-UHFFFAOYSA-N 438.421 5.057 30 10 IKEE C=CCCC1([C@@H](NCC)c2ccc(Br)c(F)c2)CN(C(=O)OC(C)(C)C)C1 2281039810 GEPASLLLVRUIAZ-SFHVURJKSA-N 441.385 5.442 30 10 IKEE CC(C)(C)OC(=O)N(CCNc1c(Br)cccc1C#N)C1CCCCCC1 2285181543 WVQVSJAAIXIZCD-UHFFFAOYSA-N 436.394 5.693 30 10 IKEE CC(C)(C)OC(=O)NCC1(C(=O)C#Cc2cccc(Br)c2)CCCCCC1 2296222446 RTVFCIKIAMFOQI-UHFFFAOYSA-N 434.374 5.235 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H](CCC(=O)C#Cc2cccc(Br)c2)C1 2296230533 UWGHKSLJACRNQG-MJGOQNOKSA-N 434.374 5.233 30 10 IKEE COc1cc2c(cc1OC)C(=CC(=O)c1cc(-c3cccs3)nc3ccccc13)NCC2 2296347479 BMVIHEOIHXECFC-UHFFFAOYSA-N 442.540 5.350 30 10 IKEE CCCCN(CCCC)Cc1c(O)ccc2c1OC(=Cc1cccc(OC)c1OC)C2=O 2296605639 FTAJWFMNFUGUBY-UHFFFAOYSA-N 439.552 5.428 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@@H](C#N)[C@]12C[C@H](CCN1C(=O)OC(C)(C)C)C2 2306789518 AZUQEWUKCGTBBT-WVMBUTMQSA-N 427.545 5.110 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)C=Cc1ccc(OC)c(OC)c1 2313601937 TZUVZBWSLCKEAD-UHFFFAOYSA-N 431.661 7.315 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2Cl)SC(=Nc2ccccn2)N1C1CCCCC1 2314541069 DQLHOGKIFYNBKR-UHFFFAOYSA-N 432.376 6.325 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OCc4ccc(Cl)c(Cl)c4)c3C)C2=O)cc1 2321790278 MKLUOEZYHBENNO-UHFFFAOYSA-N 439.338 7.059 30 10 IKEE C[C@H](c1ccccc1)c1nnc(S)n1N=Cc1cccc(OCc2ccc(Cl)cc2)c1 2321962052 DDAGOHACRAIATA-QGZVFWFLSA-N 448.979 5.833 30 10 IKEE Cc1ccc(Cc2nnc(S)n2N=Cc2ccc(OCc3ccccc3Cl)cc2)cc1 2321968487 RMQPPWCVWNHOON-UHFFFAOYSA-N 448.979 5.581 30 10 IKEE C[C@@H](c1ccccc1)N1COc2ccc3c(c2C1)OC(=Cc1c(F)cccc1Cl)C3=O 2322092149 BZHJXKMIHHUQDZ-HNNXBMFYSA-N 435.882 6.008 30 10 IKEE COc1cccc(C=CC(=O)c2cccc(Br)c2)c1OCc1ccccc1F 2322466330 CNIMISHRKZKRKZ-UHFFFAOYSA-N 441.296 6.072 30 10 IKEE CCc1ccc(NC(=O)COc2ccc3ccccc3c2C=CC(=O)c2ccccc2)cc1 2322545602 OLMAEBYHDNCISG-UHFFFAOYSA-N 435.523 6.316 30 10 IKEE Cc1ccc(C(=O)C=Cc2c(OCC(=O)Nc3ccc(C)c(C)c3)ccc3ccccc23)cc1 2322591631 UYAPZRXXGXEJJH-UHFFFAOYSA-N 449.550 6.679 30 10 IKEE COc1cccc(C=CC(=O)c2cc(Cl)ccc2Cl)c1OCc1cc(C)ccc1C 2323005235 XVUDBMIAFMECCQ-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc(OC(=O)CCc3ccc(C)cc3)c2C)C1=O 2323081391 DAIIHAXGZRWULK-UHFFFAOYSA-N 428.484 5.466 30 10 IKEE Cc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc2c1C(=O)C(=Cc1ccc(Cl)cc1)O2 2323144307 CTDWEIZDVRFDTH-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE CC(C)COc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(F)cc2)C3=O)c1 2323579745 SMIPZILBYOWKES-UHFFFAOYSA-N 432.447 5.696 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3)cc2)cc1OCCC 2323743926 JFYNSPPRVBRHHU-UHFFFAOYSA-N 430.544 6.739 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OCc1cccc2ccccc12 2323792087 LOTBADJEMHNGHM-UHFFFAOYSA-N 442.942 7.367 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(CC)cc2)C3=O)cc1 2323823525 OMDPLJQXBMXJGN-UHFFFAOYSA-N 428.484 5.873 30 10 IKEE CCCOC(=O)COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1Br 2324161626 AJBDWKWSFFOCDZ-UHFFFAOYSA-N 445.353 5.801 30 10 IKEE Cc1c(OCC(=O)OCc2ccccc2)ccc2c1OC(=Cc1cccc(Cl)c1)C2=O 2324233772 YOEPITAMMAYWFQ-UHFFFAOYSA-N 434.875 5.387 30 10 IKEE Cc1cc(OCCc2ccccc2)cc2c1C(=O)C(=Cc1cc(Cl)cc3c1OCOC3)O2 2324281618 JTIDXNZPLJBMSX-UHFFFAOYSA-N 448.902 5.753 30 10 IKEE COc1cc(C(=O)C=Cc2cc(Br)c(OC)c(OC)c2)c(OC)cc1Cl 2324412810 KEICQLHRFKQKNV-UHFFFAOYSA-N 441.705 5.033 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)cc1 2324478183 DNTQSAWEQHZJGY-KRWDZBQOSA-N 445.490 5.719 30 10 IKEE C=CCOc1c(Cl)cc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1OCC 2324599093 SIWJIQAAEPTLSZ-UHFFFAOYSA-N 441.738 6.515 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2OC)ccc1OCc1ccccc1Cl 2324708206 CSDDLYSCRKNKOO-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE CCOc1ccc(C=Nn2c(CC)nnc2SCc2ccc(Cl)cc2)cc1OCC 2325604904 ZSTJENHMUOZOFT-UHFFFAOYSA-N 444.988 5.466 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1OC(=O)c1cnccn1 2325668977 CKLYXFMRQPXIEA-UHFFFAOYSA-N 436.467 5.268 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1C 2325738605 ZTYBCSLDKRUAJO-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE C=C(C)CSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1ccc(CC)cc1 2326382470 IGSUBSGPSPUKJM-UHFFFAOYSA-N 448.636 6.019 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1c[nH]c2ccccc12 2327185970 KDZDMXYNXIFFBX-UHFFFAOYSA-N 445.592 5.630 30 10 IKEE COc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2N=Cc2ccco2)cc1 2329291449 RVNRNEGLVHRKTJ-UHFFFAOYSA-N 438.940 5.298 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccccc3Cl)n2N=Cc2ccccc2O)c1 2329576982 DFYRBWKUYJSFAT-UHFFFAOYSA-N 448.979 6.095 30 10 IKEE Clc1cccc(CSc2nnc(COc3ccccc3)n2N=Cc2cccnc2)c1 2329923136 NDJAFBQGUTUSHZ-UHFFFAOYSA-N 435.940 5.080 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2F)n1N=Cc1ccccc1F 2330108689 IUSZJDVPKJLGMM-QGZVFWFLSA-N 434.515 5.883 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)C=Cc1ccc([N+](=O)[O-])cc1 2330576089 YBXIDMIMICJFGG-QFIPXVFZSA-N 431.577 5.150 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(OCC)c(OC(=O)C(C)C)c([N+](=O)[O-])c2)cc1 2330840560 YCPLLQYLUGBYTK-UHFFFAOYSA-N 439.508 5.794 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(CCCC)cc2)cc(OC)c1OC(=O)CCCC 2330848081 CPQXYGJRWUGXKF-UHFFFAOYSA-N 434.576 6.758 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2)cc(Cl)c1OC(=O)C1CCCC1 2330872452 IAPHKBWESGQOQS-UHFFFAOYSA-N 442.939 6.047 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1cccs1 2330874271 HVEYVHZOWDFHGS-UHFFFAOYSA-N 439.437 6.410 30 10 IKEE Cc1cccc(C=Nn2c(SCC(=O)Nc3ccccc3C)nnc2C2CCCC2)c1 2331048265 BCKHSIAYDWIEAQ-UHFFFAOYSA-N 433.581 5.166 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccc(Cl)cc3)cc2)cc1 2331189821 IPTWKLBELHRAPP-UHFFFAOYSA-N 434.919 6.173 30 10 IKEE Cc1cccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2-c2ccco2)c1 2331225708 RJJORSUCVYPRSQ-UHFFFAOYSA-N 443.359 6.328 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccncc2)c(Cl)c1)c1ccc(Cl)c(Cl)c1 2331242327 PFLVXPQRMWUDRO-UHFFFAOYSA-N 432.690 6.157 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)Cc1ccccc1OC 2331281666 BUGFWCURSWJZGE-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccccc1C(=O)O 2331468393 GSVNIBLBEXMHKE-UHFFFAOYSA-N 428.945 5.003 30 10 IKEE Cc1ccc(CSc2nnc(C(C)C)n2N=Cc2cc(Br)ccc2F)cc1 2331668678 MMEWFZSHAFYDQN-UHFFFAOYSA-N 447.377 5.786 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccccc1Cl 2331708462 PIXSBFOVSSTRAO-UHFFFAOYSA-N 439.799 6.536 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)ccc1OC(=O)c1ccccn1 2331753195 LRTKDMXOPLHOBD-UHFFFAOYSA-N 437.879 5.176 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc(Cl)c1OC(=O)C1CC1 2331757345 IUASBGUGHYECCF-UHFFFAOYSA-N 449.330 5.921 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)c1cccnc1 2331770408 YPEZIVDFQZBAML-UHFFFAOYSA-N 449.934 6.174 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)cc(OC)c1OC(=O)C1CCC1 2331859885 BCGMSBIWKXRWMZ-UHFFFAOYSA-N 435.303 5.612 30 10 IKEE C=CCCCCCCCOCc1ccc(I)c(Br)c1 2350058942 GGPYFRVLVAZLOJ-UHFFFAOYSA-N 437.159 6.097 30 10 IKEE CC(C)(C)OC(=O)N1[C@@H](CNc2ccc(Br)cc2C#N)C[C@H]2CCCC[C@H]21 2358974046 GWZSFGRCLRJTNB-LSBZLQRGSA-N 434.378 5.301 30 10 IKEE CCOc1ccc(/C=C2\CC(C(C)(C)CC)C/C(=C\c3ccc(OCC)cc3)C2=O)cc1 4826605 NCQYAEUIPQEULU-GJHDBBOXSA-N 432.604 7.366 30 10 IKEE COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc([N+](=O)[O-])cc1 20884440 YRNZEJCDUBQTLI-QLXKLKPCSA-N 441.487 5.583 30 10 IKEE Cc1ccccc1N/C(=N\C(=O)c1ccc(C(C)(C)C)cc1)NCc1c(C)nn(C)c1C 32972312 CUAXCMYMEYEXMM-UHFFFAOYSA-N 431.584 5.041 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc(-c2ccccc2)cc1 34955625 GVIVRIRWWBQWKV-UFWORHAWSA-N 449.462 6.377 30 10 IKEE Cn1c(-c2ccc(C(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)s2)nc2ccccc21 35553861 DPSVWGFPFOFHBG-UHFFFAOYSA-N 435.508 6.060 30 10 IKEE C=CCc1ccc(OCCn2c([C@H](C)NC(=O)C(C)(C)C)nc3ccccc32)c(OC)c1 40190013 WPGMYOQKOLHNBU-SFHVURJKSA-N 435.568 5.076 30 10 IKEE C=CCc1ccccc1OCCn1c(CCCCCNC(=O)C(C)(C)C)nc2ccccc21 40211933 IVOYAQYRVIFRKJ-UHFFFAOYSA-N 447.623 5.719 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc2c(c1C)O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 41284743 DEUSRIGLUFMEKP-JLPGSUDCSA-N 426.512 6.436 30 10 IKEE Cc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3ccc5c(c3)OCO5)C4)C2=O)cc1 41586750 UJUZEARGUMVPAJ-OPVMPGTRSA-N 441.483 5.000 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3cccc(Cl)c3)n2)cc1 59019718 RMFSNSICHPWIMY-CHOFVFFHSA-N 442.976 5.148 30 10 IKEE CC[C@H](C)Oc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(OC(C)C)cc1)C2 59530934 CDGXTYGIAJTILE-JXHRLWIKSA-N 447.575 5.655 30 10 IKEE CCCCCCCCCCCCCCCCCCNC(=S)N[C@@H]1C=CS(=O)(=O)C1 59568214 BFVKQLKGRJRYBP-JOCHJYFZSA-N 444.751 6.023 30 10 IKEE N#Cc1cnc2ccc(Cl)cc2c1N1CCC(C(=O)Nc2ccc3c(c2)CCC3)CC1 64473813 UPFTZROVTZSUMQ-UHFFFAOYSA-N 430.939 5.104 30 10 IKEE C#CCOc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccc(Cl)cc2)cc1 64795593 KJVZSUHPCRHFSR-KRWDZBQOSA-N 437.904 5.253 30 10 IKEE CCCCCCCOc1ccc(NC(=O)CNc2cccc(OC[C@H]3CCCO3)c2)cc1 100091051 FOFRCEXLXTWPIJ-RUZDIDTESA-N 440.584 5.644 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)CNc1cccc(OCCOC)c1 100093633 UKUXZPOXSYMRSN-UHFFFAOYSA-N 448.692 6.721 30 10 IKEE CCCCCCOc1ccccc1C(=O)NC(=S)N(CCC#N)CCc1ccccc1 100438371 PVLTZZKCCXJHEJ-UHFFFAOYSA-N 437.609 5.119 30 10 IKEE C=CC(=O)NCCc1nc2ccccc2n1CCCCCCCCCCCCCCCC 102144719 YJFUYNULCVYOFG-UHFFFAOYSA-N 439.688 7.362 30 10 IKEE Cc1ccc([C@H]2/C(=C(/O)c3cccs3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 103092791 AMFJTEDWTWCDRX-LCPUNJGISA-N 446.553 5.601 30 10 IKEE CCCN1C(=S)N[C@H](c2ccc(OCc3cc(C)ccc3C)cc2)C2=C1CCCC2=O 169929940 DTVCMPUHMTYZQR-RUZDIDTESA-N 434.605 5.531 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2cc(C)cc(C)c2)c1 169929945 BJNSEWGGFSSTFO-VWLOTQADSA-N 441.527 5.712 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2cc(C)ccc2C)c1 169933154 BMMBQHSERJMUJC-VWLOTQADSA-N 441.527 5.712 30 10 IKEE CCCCCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)c2ccccc2)cc1OCC 169938087 CXNIPZOILLOXOP-QHCPKHFHSA-N 438.593 5.330 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccccn2)cc1 169991885 ZTECWSJGOVLXEC-DEOSSOPVSA-N 442.515 5.387 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@@H]1c1ccncc1 170019673 WMXAJLPKSYVWLI-QHCPKHFHSA-N 432.907 5.145 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2ccccc2)cc1 170051992 PSKGDENXZDTDFB-QHCPKHFHSA-N 447.918 5.830 30 10 IKEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccccc2)cc1 170055647 KLSBDLZUVMXORQ-XMMPIXPASA-N 427.500 5.172 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2cccc(O)c2)c1 170079829 KQAGRAWTDIGDAK-QFIPXVFZSA-N 435.426 5.070 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2cccc(O)c2)cc1C 170080648 WVKDLRYDKJWPFE-JOCHJYFZSA-N 433.891 5.445 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2C)cc1 170089228 FUOALABMBOHRQT-DEOSSOPVSA-N 427.500 5.485 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(C)o2)c1 170102492 RULCCNFDBRQAOE-HSZRJFAPSA-N 443.455 5.121 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccc(O)cc2)c1 170131981 AZOBPKQUXGVIIE-RUZDIDTESA-N 439.511 5.362 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccc(C)c2)cc1Cl 170141658 KCXBDRUTCHYACR-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@@H]1c1ccc(C(C)(C)C)cc1 170149950 XMQIJPARBJBMAM-DEOSSOPVSA-N 449.591 5.988 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@H]1c1ccc(C(C)(C)C)cc1 170149952 XMQIJPARBJBMAM-XMMPIXPASA-N 449.591 5.988 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cccc(OC(C)C)c1 170153126 RYTGMJKOVAXEJZ-QFIPXVFZSA-N 425.500 5.300 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccn2)cc1C(C)C 170173011 CCYQIPZHOOUKCV-DEOSSOPVSA-N 442.515 5.387 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccn1 170176272 GSDAGEVXWKOVIP-FQEVSTJZSA-N 439.298 5.480 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@H]1c1ccncc1 170206182 VCOVRNQKMHXLEL-XMMPIXPASA-N 442.515 5.208 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2ccc(O)c(Cl)c2)cc1C 170220241 NNIUGIZMYBWYEY-NRFANRHFSA-N 443.927 5.131 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2)cc1C(C)C 170233872 KEXHNROTKAOFIS-DEOSSOPVSA-N 433.548 5.648 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2F)cc1 170251648 UKMDJHNHTXCJGA-HSZRJFAPSA-N 437.511 5.526 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@@H]2c2ccco2)cc1 170283416 BNXVDOXFUCGXOV-DEOSSOPVSA-N 445.515 5.721 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4cc(C)ccc4C)[C@@H]3c3ccco3)oc12 170285766 DKOPZEVBNIRKEU-JOCHJYFZSA-N 443.455 5.434 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(C)o2)cc1C 170299115 DVRXZSWWWYLIIB-QHCPKHFHSA-N 449.478 5.607 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@@H]1c1ccc(C)o1 170300082 AKRIEAIRXXHYAO-HSZRJFAPSA-N 431.488 5.305 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1sccc1C 170313764 VVHIGVKFNZYRGM-IBGZPJMESA-N 441.455 5.126 30 10 IKEE C/C(=N\Nc1nnc(SCCCCOC(=O)C(C)(C)C)[nH]1)C12CC3CC(CC(C3)C1)C2 253562975 DXHHYDWEXPYTBB-MFKUBSTISA-N 447.649 5.271 30 10 IKEE CCc1c(C)c(C#N)c2nc3ccccc3n2c1NN=Cc1cn(C(C)C)c2ccccc12 254705900 QCYRSFVEPLGPDJ-UHFFFAOYSA-N 434.547 6.212 30 10 IKEE C[C@@H]1CC[C@@]23CC[C@@H]4[C@](C)(CC[C@@H]5[C@]6(C)CCC(=NO)[C@H](C)[C@@H]6CC[C@@]45C)[C@@H]2[C@H]1OC3 254828661 SMVBJUJFMSJJCO-VAEGOURTSA-N 427.673 6.927 30 10 IKEE CCOc1ccc(NC(=O)c2c(N=Cc3cccc(F)c3)sc3c2CC[C@@H](C)C3)cc1 263628687 FCEQIHZOIAIOKH-MRXNPFEDSA-N 436.552 6.414 30 10 IKEE CC1(C)OB(CCCOc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)OC1(C)C 385077828 VXKIVTUKQBQFTD-UHFFFAOYSA-N 434.383 6.815 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cccc(Br)c1F 407332270 ATOVJJHFJHOCID-FUHWJXTLSA-N 429.374 5.488 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(Cl)cc2)c(OC)c1 526521366 LYRNYTUAYFLRQH-QHCPKHFHSA-N 446.890 5.286 30 10 IKEE CC(C)Oc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1ccc(Cl)cc1 526711265 ZLTCRZRWCROKPT-QHCPKHFHSA-N 447.918 5.910 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1c(OCC)ccc2ccccc12 526802338 GHALRHGLWMTKAD-YUMHPJSZSA-N 448.567 6.096 30 10 IKEE COc1ccc2ccccc2c1/C=N\n1c(C)nnc1SCc1ccc(C(C)(C)C)cc1 526805280 HYHGRQROCIDIRD-YUMHPJSZSA-N 444.604 6.220 30 10 IKEE CCCCCOc1ccc(/C=N\n2c(CCC)nnc2SCc2ccc(C)cc2)cc1 526805532 NYDJYASIOIFZIO-ITYLOYPMSA-N 436.625 6.283 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccc(F)cc2)c(C)c1 526812444 VYSQSMHZOXQLCW-QRQIAZFYSA-N 444.579 5.994 30 10 IKEE COc1ccc(/C=N\n2c(C)nnc2SCc2cccc3ccccc23)c(Cl)c1O 526821463 UGPNXUKFBJSBPW-MSXFZWOLSA-N 438.940 5.282 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccc(OC)c(OC)c1 526822186 UVVGGANZFQQLMO-QQXSKIMKSA-N 446.576 5.576 30 10 IKEE N#Cc1ccccc1NC(=O)c1cccc(NC(=O)NC(c2ccccc2)c2ccccc2)c1 586627920 HJRGGBDNQYCEIE-UHFFFAOYSA-N 446.510 5.722 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1ccc(F)c(C#N)c1 698444179 LVKAKXKEQZGPOJ-SFHVURJKSA-N 430.277 5.466 30 10 IKEE C[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)CN1Cc1ccccc1 698889559 DUCJLEIATQHMDG-UUOWRZLLSA-N 425.960 5.638 30 10 IKEE O=C(Nc1ccccc1F)[C@H]1CC(=O)N(CCc2ccccc2)C(=Nc2ccccc2)S1 725432390 SSIPOBYVWZJWFL-JOCHJYFZSA-N 447.535 5.029 30 10 IKEE CC(C)(C)c1cc(/C=N\C(C(=O)O)(c2ccccc2)c2ccccc2)c(O)c(C(C)(C)C)c1 884976453 KISOGYZKVFARFS-FSGOGVSDSA-N 443.587 6.435 30 10 IKEE Brc1cccc(CSc2n[nH]c(NN=Cc3cccc4ccccc34)n2)c1 1084411415 AKHHFICXLZOLLL-UHFFFAOYSA-N 438.354 5.459 30 10 IKEE COc1ccccc1/C=C1\S/C(=N\N=C/C=C/c2ccccc2)N(Cc2ccco2)C1=O 1554646572 UVUWVKGQHWAVAS-RJGIDZGWSA-N 443.528 5.460 30 10 IKEE Cc1ccc(C(=O)N2c3ccc(F)cc3/C(=N\c3ccc(F)cc3F)C[C@@H]2C)cc1F 1615948458 NMNWJGNZSAXEDD-IJUJVVPESA-N 426.413 6.111 30 10 IKEE CN(C)c1ccc(/C=C2\SC(=Nc3cccc(C(=O)O)c3)N(c3ccccc3)C2=O)cc1 1772733421 AIWJSDCFQQYJSQ-JXJWTFEASA-N 443.528 5.259 30 10 IKEE Cc1ccc(COc2cccc(/C=C3\SC(=Nc4ccncc4Cl)N(C)C3=O)c2)cc1 1772735385 SMDQIOFRTNHNBN-WOZVDNMVSA-N 449.963 5.856 30 10 IKEE CN1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2)SC1=Nc1nccs1 1772736488 LIZYYGSOIMDABG-WEHZRUJJSA-N 441.965 5.609 30 10 IKEE Cc1ccc(-n2cc(/C=N\NC(=S)Nc3ccccc3)c(-c3cccc(Cl)c3)n2)cc1 1857812155 WOFISXJRTAGSSS-YSMPRRRNSA-N 445.979 5.822 30 10 IKEE N#Cc1c(NC(=O)c2cc3cc(Cl)cc(Br)c3o2)sc2c1CCCC2 1859743081 XGYCQOSIABKPJR-UHFFFAOYSA-N 435.730 5.913 30 10 IKEE CCc1nc2cc(C(=O)Nc3oc(-c4ccccc4)c(-c4ccccc4)c3C#N)ccc2o1 1859743795 JGHFKGNYLYITMG-UHFFFAOYSA-N 433.467 6.441 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](C)Oc1ccc2c(C)c(CCCCCC)c(=O)oc2c1C 1860256758 TWGABVOIZHINLN-FQEVSTJZSA-N 425.569 5.501 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](CCCC)NC(=O)c1ccc2nc(-c3cccc(C)c3)[nH]c2c1 1862098546 NQOPCDRHCKSESE-HSZRJFAPSA-N 444.579 5.028 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccccc2F)cc1C 1862402325 WQBJFBWJACOCOU-ZFUCPZCZSA-N 437.511 5.300 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(OCc2ccccc2)cc1 1862423361 ADNUYFJJGNUCAK-QHCPKHFHSA-N 449.453 5.142 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccccc2Cl)=C(O)C(=O)N1[C@@H](C)c1ccccc1 1862429748 UGHTXKXJMFJCPR-SBUREZEXSA-N 431.919 5.988 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccc(Cl)cc1)c1ccccc1Cl 1862431672 MBEZOYHSJQMGDJ-FQEVSTJZSA-N 439.298 5.167 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc(C)cc2)cc1 1862516011 XJTQDRYOTUGOEZ-NIDLKEISSA-N 447.575 5.941 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2ccccc2F)cc1 1862529080 BPBBMKNDJYQTTH-QHCPKHFHSA-N 449.909 5.820 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccccc1Cl 1862545688 GMRJULLBVOEFBO-HSZRJFAPSA-N 437.967 5.987 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1c(Cl)cccc1Cl 1862553060 GOBSMJFPXQDMLA-NRFANRHFSA-N 444.358 5.859 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2Cl)cc1 1862618799 YRXPGHJUMXYMSS-QFIPXVFZSA-N 437.967 6.158 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1cccc(C)c1 1862639018 OXMZJZPESXIPSO-JOCHJYFZSA-N 425.500 5.301 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCCCO)[C@H]1c1cccc(Cl)c1)c1cccc2ccccc12 1862654159 WFRUUYLEVMVHFM-QHCPKHFHSA-N 449.934 5.234 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1c(F)cccc1Cl 1862679065 ZLRJFLFSDQRVSU-FQEVSTJZSA-N 433.882 5.777 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2cccc3ccccc23)cc1 1862692566 ORPAYPZMRVHPTM-AREMUKBSSA-N 449.506 5.627 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862713193 JFDFOVFNDWHBAN-NFQMXDRXSA-N 447.534 6.488 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1c(F)cccc1Cl 1862727651 JPOFKGJPLCCOTD-QHCPKHFHSA-N 447.893 5.910 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(F)cc2)C1=O 1862764696 BIHILWVVUWQZPD-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE Cc1ccc(C)c(NC2=C(c3cccc4ccccc34)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1862849326 JKNFLQWZBYCWEW-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccccc3Cl)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1863030926 RTKOQDZNUMAFBZ-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(F)cc3Cl)C2=O)c1 1863034571 VOZKTFADEFLURO-UHFFFAOYSA-N 445.881 5.364 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(CCCCc3ccccc3)C2=O)cc1 1863276838 CYPLAVWWWAEPOJ-UHFFFAOYSA-N 435.527 5.082 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(Cl)c2)=C(c2ccccc2F)C1=O 1863293960 OPRXEPWHGADFSA-UHFFFAOYSA-N 428.935 6.032 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C#N)c2)=C(c2c[nH]c3ccccc23)C1=O 1863495484 VFPCWTUBZHNXBA-UHFFFAOYSA-N 440.547 5.592 30 10 IKEE CCCCCCCCN1C(=O)C(NCCc2ccc(F)cc2)=C(c2ccccc2F)C1=O 1863648271 UVEPBZXCZGAQHF-UHFFFAOYSA-N 440.534 5.238 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccc(F)cc2)=C(c2ccc(F)c(C)c2)C1=O 1863792135 SSIGOZVHBWKEFN-UHFFFAOYSA-N 440.534 5.503 30 10 IKEE CCC[C@H](NC(=O)[C@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866984148 HUQSAFQAYBXGJW-SFTDATJTSA-N 446.378 5.528 30 10 IKEE C[C@H]1CN(c2cc(Nc3ccccc3C#N)nc(-c3ccc(C(C)(C)C)cc3)n2)CCO1 1868550393 QHZAVSGFHNZZKC-SFHVURJKSA-N 427.552 5.281 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](CCC)NC(=O)[C@H](c1ccc(Cl)c(Cl)c1)C(C)C 1868866426 WJMYIGGCZSSKRH-UXHICEINSA-N 425.400 5.219 30 10 IKEE Cc1c(Cl)cccc1-n1nnc(C#N)c1NC(=O)/C=C/c1ccc(Cl)c(Cl)c1 1870142598 QMPSDMWARDXLNK-SOFGYWHQSA-N 432.698 5.060 30 10 IKEE C=CCn1cc(OCC(=O)Nc2ccc(C)c(C)c2)c(=O)cc1CSCc1ccccc1 1870210513 IZNMWQPSUHNMAU-UHFFFAOYSA-N 448.588 5.102 30 10 IKEE CCCCCCCOc1cn(CCC)c(CSCCc2nc3ccccc3[nH]2)cc1=O 1870252409 RFFIATZDHSAYSY-UHFFFAOYSA-N 441.641 5.960 30 10 IKEE C=CCn1cc(OCc2c(Cl)ccc(Cl)c2Cl)c(=O)cc1CSC(C)C 1870257516 BCHPJUVSBAAQJE-UHFFFAOYSA-N 432.800 6.215 30 10 IKEE CCCCCCCCCCn1cc(OC)c(=O)cc1CN1CCN(c2ccccc2)CC1 1870554054 QYXRWSUDKFNWGK-UHFFFAOYSA-N 439.644 5.320 30 10 IKEE CCCCCCCCn1cc(OCCO)c(=O)cc1CNc1ccc(OCCCC)cc1 1870790018 IISSGNVIIKONDE-UHFFFAOYSA-N 444.616 5.371 30 10 IKEE C=CCOc1cn(CCc2ccccc2)c(CNc2ccc(OCC)c(OCC)c2)cc1=O 1870809992 GJGJXSJBNKDOIT-UHFFFAOYSA-N 448.563 5.065 30 10 IKEE C=CCn1cc(OCCCOc2ccc(CC)cc2)c(=O)cc1CNc1ccc(OC)cc1 1870881262 XJFLMJPCZTUSLP-UHFFFAOYSA-N 448.563 5.065 30 10 IKEE COC(=O)c1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(C)c(C)c4)c3C)C2=O)cc1 1871372429 QWBBCRCNECOZEN-UCQKPKSFSA-N 442.467 5.234 30 10 IKEE Cc1cc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)ccc1[N+](=O)[O-] 1871373585 NSWZDWLTHSGECA-NHDPSOOVSA-N 433.391 5.186 30 10 IKEE Cc1cc(OC(=O)/C=C/c2ccc(C(C)C)cc2)cc2c1C(=O)/C(=C/c1ccccn1)O2 1871379645 HOOMTYBISKCYQB-USQUCKOTSA-N 425.484 5.748 30 10 IKEE COc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O 1871411257 HISKMBAOGDYCSW-KSJDGYIASA-N 449.890 5.371 30 10 IKEE Cc1cc(C)c(COc2cc(C)c3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1C 1871417850 TZSMPEYELQDXKQ-MSXFZWOLSA-N 429.472 6.024 30 10 IKEE Cc1cc(OCC(=O)NC2CCCCC2)cc2c1C(=O)/C(=C/c1ccccc1Cl)O2 1871437900 GUMYWZHNANASLD-MTJSOVHGSA-N 425.912 5.092 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCc4ccc(C(=O)OC(C)C)o4)ccc3C2=O)c1 1871438964 AKINDQIYNGRPNB-FMCGGJTJSA-N 434.444 5.049 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(Cl)cc4)cc(C)c3C2=O)cc1 1871440835 JYAOFRWBCHRHNO-QRVIBDJDSA-N 447.918 5.845 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cc(C)cc(C)c4)cc(C)c3C2=O)cc1 1871453961 AQEGPXGHKADCTL-CFRMEGHHSA-N 443.499 5.254 30 10 IKEE CCCCCCCCN=c1nc(N2C[C@@H](C)C[C@H](C)C2)[nH]c(=Nc2cc(C)ccc2C)[nH]1 1871671952 MXWLSBFDCFBBDC-SFTDATJTSA-N 438.664 5.331 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1871861252 ZQRPDEJVSNKSAL-JOCHJYFZSA-N 446.588 5.125 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cc(Cl)ccc1C)[C@H](C)CC)S(=O)(=O)c1ccccc1 1872471687 HTUHGNMXBXIDKD-VGSWGCGISA-N 449.016 5.269 30 10 IKEE CCc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3cc(C)ccc3OC)cs2)cc1 1872771587 XMRCQHIIJAGZNL-NRFANRHFSA-N 434.561 5.725 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(C(C)(C)C)cc3)n2)c1C 1872778063 CMJOJJKIFINVPQ-UQNNOOFXSA-N 442.628 7.231 30 10 IKEE CCCCCCCCCCNC1=C(c2cccnc2)C(=O)N([C@@H]2CCCC[C@@H]2C)C1=O 1873076900 ITDNYIAYDWMOPU-RBBKRZOGSA-N 425.617 5.471 30 10 IKEE CCCCCCCCN1C(=O)C(NC2CCCC2)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873083697 SWILXZIUUVGFIE-UHFFFAOYSA-N 444.619 6.326 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCCC)=C(c2c(C)cc(C)cc2C)C1=O 1873118648 XQJTUFONLZMBIY-UHFFFAOYSA-N 440.672 6.612 30 10 IKEE CCCCCCCCNC1=C(c2c(C)cc(C)cc2C)C(=O)N([C@H](C)c2ccccc2)C1=O 1873121267 VMDWBWZXVLOCTK-HSZRJFAPSA-N 446.635 6.403 30 10 IKEE C=CCn1c(C(=O)N2CCC(C)CC2)cc2c(N(CCCC)CCCCCC)ncnc21 1873562747 QWHAYERYELJHEW-UHFFFAOYSA-N 439.648 5.676 30 10 IKEE C[C@H](Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)C(=O)Nc1cccc(C#N)c1 1873866420 GTWRGWYDIWNTDF-HNNXBMFYSA-N 444.874 5.391 30 10 IKEE CCCOc1ccc(/C=N/n2c(CCCOc3ccc(Cl)cc3)nnc2SC)cc1 1874212183 ABRFMRHAJNJJGE-LFVJCYFKSA-N 444.988 5.336 30 10 IKEE COc1cccc(CCc2nnc(SCc3ccccc3C)n2/N=C/c2ccco2)c1 1874308343 RINCYXJDERVZEB-PCLIKHOPSA-N 432.549 5.148 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccccc3C)nnc2-c2ccccc2Cl)c1 1874364831 XJGDQVKWABXQHR-CVKSISIWSA-N 448.979 6.090 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2)n1/N=C/c1cccc(Br)c1 1874384533 UPPONXMWMKGUFO-WSDLNYQXSA-N 443.370 5.170 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2ccccc2)n1/N=C/c1cccc(O)c1 1874398862 RIPIIXBJTMGBJL-YZSQISJMSA-N 428.561 5.252 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccco1 1874468345 DJVVPYSLRKEZLR-WYMPLXKRSA-N 443.359 6.328 30 10 IKEE CCCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1cccc(O)c1 1874478949 AORFADAMIYYGSD-FSJBWODESA-N 435.380 5.808 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874482772 MPYPMGXBEANQCN-FOKLQQMPSA-N 447.923 5.451 30 10 IKEE COc1cccc(/C=N/n2c(CC(C)C)nnc2SCc2ccccc2Cl)c1OC 1874490160 CGRPXCBHBMJXBA-ZMOGYAJESA-N 444.988 5.322 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C(C)C)cc1 1874515888 UYRPRCSVHGUWLR-MFKUBSTISA-N 443.016 6.408 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl 1874577036 SROLGYACXKVIEC-PKNBQFBNSA-N 431.290 6.616 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc2c(c1)OCO2 1874582875 LGFCRHSXSLDAOX-RMKNXTFCSA-N 449.890 5.291 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 1874589465 NBBJFMWIVBZTLI-NTEUORMPSA-N 449.459 5.096 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccccc2OCC(=O)N[C@H](C)c2ccccc2)cc1C 1874590434 AEQCSAGEPRZBMT-IBUXMESJSA-N 443.543 5.464 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OCC(=O)Nc1ccc(C)c(C)c1 1874614484 JEOVSDHLWOYOGY-ACCUITESSA-N 445.515 5.234 30 10 IKEE CCCOC(=O)COc1c(Cl)cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1OC 1874629833 XSVUQMSQTMXSGY-BQYQJAHWSA-N 446.927 5.202 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)COc3c(C)cccc3C)c2)cc1 1874694398 AXUHIGGYZKURLH-RVDMUPIBSA-N 444.527 5.755 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)COCc3ccccc3)c2)cc1C 1874696027 FHOLSCZSELRYQZ-FMIVXFBMSA-N 446.499 5.031 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1C 1874696442 WGQHWSWUEBDOEX-NYYWCZLTSA-N 447.443 5.036 30 10 IKEE CCCOc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(Cl)cc3)c2)cc1 1874700760 LHUBQQDIWCKJRV-OVCLIPMQSA-N 434.919 6.173 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1OC(=O)C(C)(C)C 1874715785 LVDJMXVLPNYMJV-SOFGYWHQSA-N 437.319 5.858 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OC(=O)CCCC 1875097976 MTUGLDDDRKBGPD-DTQAZKPQSA-N 432.560 6.294 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)ccc1OC(=O)c1cccc(Cl)c1 1875102954 HWYPOXUQSSDFQT-GXDHUFHOSA-N 434.919 6.416 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(CC)cc3)c(Cl)c2)cc1 1875106471 AIAOIHCMBWGWCE-GZTJUZNOSA-N 446.974 7.360 30 10 IKEE O=C(Cc1ccc(F)cc1F)Oc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1Cl 1875121606 YAERZXMEWYKBEU-XBXARRHUSA-N 447.264 6.316 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3cccc(Cl)c3)cc2)cc1 1875123521 QOELLWNLJZXBBT-OVCLIPMQSA-N 436.891 5.619 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)c1cccc2ccccc12 1875128984 FGFAUFPURWBHCM-ISLYRVAYSA-N 448.518 6.692 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)Cc1ccc(C)cc1 1875133625 DMNKPGOEWBIPIF-SDNWHVSQSA-N 428.528 6.055 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 1875159655 VAJYKCNZCMSYCY-PJQLUOCWSA-N 432.491 6.247 30 10 IKEE C=CCn1c(C(=O)N2CCc3ccccc3C2)cc2c(NCCC3=CCCCC3)ncnc21 1875231159 BZWYEQWDGXDFPN-UHFFFAOYSA-N 441.579 5.118 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1C[C@@]2(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1880384229 HXEYIMBHUYMACP-RNHFSVANSA-N 441.572 5.105 30 10 IKEE O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1cccc(C(F)(F)F)c1C(F)(F)F 1890375285 SJYKAVPMYHQKMG-UHFFFAOYSA-N 434.336 6.239 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CC[C@@H](CCC)CCNC(=O)OC(C)(C)C)NCC 1922107053 IZCZVXYIMIYEKS-ISKFKSNPSA-N 432.649 5.849 30 10 IKEE CC[C@@H]1C[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)CN1Cc1ccccc1 1937132931 ZXJRHRUTGCAWRD-YKSBVNFPSA-N 425.598 5.432 30 10 IKEE C[C@@H](NCCCONC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(C#N)c1 1937197290 UEYPMLKSLIOZIS-LJQANCHMSA-N 441.531 5.069 30 10 IKEE CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 1941062073 RKUJPZFXKWSCGI-WZONZLPQSA-N 435.540 5.399 30 10 IKEE C[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)CCN1Cc1ccccc1 1949367071 PADNQABCFULADU-DFBJGRDBSA-N 439.987 6.028 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)CC1(C)C 1949597271 USPQAAXBQWNAMP-HSZRJFAPSA-N 449.979 5.763 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]1[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1978209445 KHBWSYQUFRKKKO-VGSWGCGISA-N 435.952 5.373 30 10 IKEE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccccc1C#N 1984691820 GABNUVDBIHCHPW-VWLOTQADSA-N 439.515 5.060 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1(C)C 2013408721 UCLIOFKIJJWYKK-UUOWRZLLSA-N 435.609 5.532 30 10 IKEE C=CCN(CC[C@H](NCCC)c1scc(Br)c1C)C(=O)OC(C)(C)C 2037963738 XQVSCWHEDUUSHT-INIZCTEOSA-N 431.440 5.673 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CCC[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C 2052946692 XUTLEOYXOOHZJV-NGSHPTGOSA-N 442.644 5.553 30 10 IKEE CC(C)c1nn(Cc2cc(F)ccc2C(F)(F)F)c(Br)c1C(F)(F)F 2079800117 QBAILDMNYLPVPZ-UHFFFAOYSA-N 433.165 5.994 30 10 IKEE Fc1cc(C(F)(F)F)cc(-c2cc(Cl)n3nc(C(F)(F)F)c(C4CCC4)c3n2)n1 2081230624 YTBFLPMVQMSYAG-UHFFFAOYSA-N 438.734 5.889 30 10 IKEE Fc1cc(C(F)(F)F)ccc1-c1c(C(F)(F)F)nn2c(Cl)c3c(nc12)CCOC3 2081330903 YLWAVEJQZYONKL-UHFFFAOYSA-N 439.718 5.299 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](CNc2ccc(C#N)c(Br)c2F)C12CCC2 2177325807 IWBAQNCFTJZBFS-CQSZACIVSA-N 438.341 5.051 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](CNc2ccc(Br)cc2C#N)[C@H]2CCCC[C@H]21 2179392949 MXZINMACBQCKFE-KVSKMBFKSA-N 434.378 5.158 30 10 IKEE C[C@@H](c1cscc1Br)N(C)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2186595066 NAMXTIIEFYQBMN-AWEZNQCLSA-N 436.224 5.003 30 10 IKEE C=CCCCCCC[C@@H](NCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2206904118 YEMPDTDQVTZDDZ-HXUWFJFHSA-N 439.438 6.973 30 10 IKEE CCCN[C@H](C#Cc1cccc(Cl)c1)CN(Cc1ccccc1)C(=O)OC(C)(C)C 2212502131 XXNCVIOZXPOAON-HSZRJFAPSA-N 426.988 5.497 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)CCC12CC2 2214698066 CORAYNXRXHMLRR-XMMPIXPASA-N 427.545 5.254 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1sc(C)c(C)c1Br 2229305712 AAINOLHXMAHDFQ-WBVHZDCISA-N 445.467 6.028 30 10 IKEE CCC(C#N)(CC)NC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2243918227 CQYRECDHXSVBFZ-DEOSSOPVSA-N 447.579 5.138 30 10 IKEE C#CCC1(NC(=O)[C@@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)CCC1 2243918318 DRCOLEZWKUQRBH-RUZDIDTESA-N 444.575 5.002 30 10 IKEE C=CCCC1([C@@H](NC)c2ccc(F)cc2Br)CN(C(=O)OC(C)(C)C)C1 2266311358 ZCEIIAJVLOYXDI-KRWDZBQOSA-N 427.358 5.052 30 10 IKEE C=C(C)CCCC[C@@H](NC)[C@](C)(O)c1cc(Br)c(Br)s1 2287390788 TYRPAPAAQBUCPA-DOMZBBRYSA-N 425.230 5.205 30 10 IKEE CC(C)c1ccc(C=C2Oc3cc(OC(=O)c4ccc5c(c4)OCO5)ccc3C2=O)cc1 2296867559 XTIVEQPQNORNQN-UHFFFAOYSA-N 428.440 5.374 30 10 IKEE COc1ccc(C(O)=C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 2297056974 DDOKQZLYLWWRCT-HSZRJFAPSA-N 445.515 5.208 30 10 IKEE CCN=c1ccc(Br)cc(C(=O)C=Cc2ccc(Cl)c(Cl)c2)c1O 2297464258 MRRCQZJWNZPTSZ-UHFFFAOYSA-N 427.125 5.278 30 10 IKEE COc1cc(C=C2SC(=Nc3cccc(Cl)c3Cl)NC2=O)ccc1OC(C)C 2313541429 HIMFTVUAQNQQGX-UHFFFAOYSA-N 437.348 5.681 30 10 IKEE CC(=C1SC(=Nc2cccnc2Cl)N(C2CCCCC2)C1=O)c1ccc(N)cc1 2314542203 HXELFZJRKGVZTJ-UHFFFAOYSA-N 426.973 5.644 30 10 IKEE C=CCN(CC[C@H](NC)c1cc(Cl)cc(Br)c1F)C(=O)OC(C)(C)C 2315455050 CXDAGKXEGHUYBV-HNNXBMFYSA-N 435.765 5.315 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c3ccc(F)cc3)C2)C1 2317575450 GVLGAPZQXZSAAV-XMMPIXPASA-N 445.535 5.251 30 10 IKEE CCCCOc1ccc(C=Nn2c(C)nnc2SCc2ccc(C#N)cc2)cc1OCC 2318571095 CAUKLQOKLKHTNB-UHFFFAOYSA-N 449.580 5.210 30 10 IKEE Cc1ccccc1COc1ccccc1C=NNc1oc([C@@H]2C[C@H]2c2ccccc2)nc1C#N 2320836885 DOGRESZFIWZVFC-BJKOFHAPSA-N 448.526 6.151 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 2321298561 VFRAOZGEUCSEDY-WOJBJXKFSA-N 441.572 5.418 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]2C)c1 2321344753 MLICLKPBRFMECH-CEYNDMKZSA-N 443.588 5.664 30 10 IKEE COc1ccc([C@@H](C)N2COc3ccc4c(c3C2)OC(=Cc2cccc(Cl)c2)C4=O)cc1 2322239895 UOKVMDDVCUJNFF-MRXNPFEDSA-N 447.918 5.878 30 10 IKEE CCN(CC)CCCN1COc2c(cc3c(c2C)OC(=Cc2ccc(C(C)C)cc2)C3=O)C1 2322378833 SMXAZTHFQJYBFR-UHFFFAOYSA-N 448.607 5.618 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccc(C)cc1C 2322570110 VQFIIGZRXJIXDL-UHFFFAOYSA-N 443.587 6.380 30 10 IKEE O=c1c(Cl)c(NN=Cc2ccc(Cl)c(Cl)c2)cnn1-c1ccc(Cl)cc1 2322609675 CZRWBSHAUKMLDW-UHFFFAOYSA-N 428.106 5.292 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OC)c1OCC(=O)Nc1ccccc1C 2322657651 CXHDHEAATXIRGD-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCc2ccccc2)cc1F 2322708487 PKEDUQCKLQFFRQ-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2c(C)cc(C)cc2C)c1OCc1ccccc1F 2322948780 QUVJGKGFYDNHNJ-UHFFFAOYSA-N 438.926 6.888 30 10 IKEE CCc1ccc(NC(=O)COc2cccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 2323193750 AJDGTJJNMSXZPH-UHFFFAOYSA-N 441.571 6.460 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)C=Cc4cccs4)cc(C)c3C2=O)cc1OC 2323521160 YPDGKCHQTDGVOZ-UHFFFAOYSA-N 448.496 5.309 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)cc(Cl)c1OCC(=O)OCC(C)C 2323629852 RGFBXUHWYWLMKD-UHFFFAOYSA-N 446.927 5.221 30 10 IKEE CCCCCCCCCOc1ccc(C=NNc2nc(C)c(C(=O)OC)s2)cc1OC 2323840337 OQEAMPUGQMKKEO-UHFFFAOYSA-N 447.601 5.822 30 10 IKEE COc1ccc(C=NNc2nc(-c3ccc(Cl)cc3)cs2)c(Br)c1O 2323854505 KSHIRRDQTQZMGW-UHFFFAOYSA-N 438.734 5.386 30 10 IKEE CC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C)cc2)C3=O)c1 2323896842 FWMGAFBPCCIFKK-UHFFFAOYSA-N 428.440 5.064 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OCC(=O)Nc1ccccc1C 2323959664 DZPTXVXILOUQIH-UHFFFAOYSA-N 443.543 5.924 30 10 IKEE CCc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4cc(C)ccc4C)ccc3C2=O)cc1 2324455657 BNUQIXDWQVPVFG-LJQANCHMSA-N 441.527 5.888 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCCCCOc4ccccc4C)c3C)C2=O)cc1 2324598585 KNVAUGROQRZHKA-UHFFFAOYSA-N 444.527 6.166 30 10 IKEE Cc1cc(O[C@H](C)C(=O)Nc2nc3ccccc3s2)cc2c1C(=O)C(=Cc1ccco1)O2 2325421857 TXKRKNYQHKVVQG-CQSZACIVSA-N 446.484 5.220 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccccc4Cl)c3C)C2=O)cc1 2325718276 PPKMQBJUPUXFQV-UHFFFAOYSA-N 447.918 5.845 30 10 IKEE COc1ccccc1CC(=O)Oc1cccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)c1 2325737120 YFSGWGFJOOAUIB-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1cccc(C=CC(=O)c2ccc3c(c2)OCO3)c1 2325747482 LQOKMUBFVKTEIC-UHFFFAOYSA-N 444.483 5.384 30 10 IKEE COc1ccccc1CCC(=O)Oc1cccc(C=CC(=O)c2ccc(C(C)C)cc2)c1 2325750747 JELDPWAXVRQHHB-UHFFFAOYSA-N 428.528 6.253 30 10 IKEE CCOc1cc(C=Nn2c(C)nnc2SCc2ccc(F)cc2)ccc1OC(C)C 2326238006 HGPALBBWYAYUDZ-UHFFFAOYSA-N 428.533 5.086 30 10 IKEE CC(C)(C)c1cc(C=Nn2cnnc2SCc2cccc(F)c2)cc(C(C)(C)C)c1O 2326724364 DJLFDWXTSWODDC-UHFFFAOYSA-N 440.588 5.892 30 10 IKEE C=C(C)CSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1cccc(Cl)c1 2328156077 TZRFVNOKNNNXLH-UHFFFAOYSA-N 431.049 6.946 30 10 IKEE CCCCC1CCC(c2nnc(SCC(=O)OCCC)n2N=Cc2ccccc2)CC1 2328215083 YVOVGCUMSMFOMR-UHFFFAOYSA-N 442.629 5.670 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCCc2ccccc2)n1N=Cc1ccncc1 2328558454 RHJGOABEKLWWFV-UHFFFAOYSA-N 443.576 5.086 30 10 IKEE Cc1ccc(CSc2nnc(COc3cccc(C)c3C)n2N=Cc2cccnc2)cc1 2328818633 TXHUUNYUVKTAHV-UHFFFAOYSA-N 443.576 5.352 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccncc1 2329480870 BSKDOQMCSBIJJI-UHFFFAOYSA-N 431.540 5.080 30 10 IKEE Fc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2N=Cc2ccncc2)cc1 2329860318 ZGBYUSBHNYVNSV-UHFFFAOYSA-N 437.931 5.231 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cccs1 2330129284 BHJPOMPGCQVETK-INIZCTEOSA-N 439.009 6.319 30 10 IKEE Oc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2-c2cccs2)cc1 2330595366 WDBHJGQSOFAYLW-UHFFFAOYSA-N 442.569 6.040 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccccc3)n2N=Cc2ccccc2OC(C)C)c1 2330647034 WVONKALXGKDSFI-UHFFFAOYSA-N 442.588 6.215 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1ccccc1F 2330675216 NKZKQMPTKFUYLJ-UHFFFAOYSA-N 426.443 6.103 30 10 IKEE Cc1ccc(C)c(OCC(=O)Oc2ccc(C=CC(=O)c3ccccc3Cl)cc2)c1C 2330910662 JGEROWPYXUWBAA-UHFFFAOYSA-N 434.919 6.146 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)CCCCCC 2331106130 JNQVLXZBAQOIIG-UHFFFAOYSA-N 442.502 6.474 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2[N+](=O)[O-])cc1 2331170364 AYBONQNCYMWHNZ-UHFFFAOYSA-N 431.444 5.038 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1 2331188573 YTFSYJJVEHKDLX-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1ccc(F)c(F)c1 2331345747 VDHXDCVXBRLPLX-UHFFFAOYSA-N 440.417 5.926 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)COc3cccc(C)c3C)cc2)c1 2331378692 QQWAMNZNFLIKPN-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3ccccc3)cc2)cc1 2331411742 IJJHMVRNZYJFFX-UHFFFAOYSA-N 442.555 6.645 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(C(F)(F)F)cc2)cc1)c1ccc(F)c(F)c1 2331555187 IPIFPMQFEXUIIS-UHFFFAOYSA-N 432.344 6.099 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 2331562081 CNIXNHDLGJJLEV-UHFFFAOYSA-N 443.789 5.642 30 10 IKEE COCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1sccc1C 2331612082 CLKLNEXBMDSXNP-UHFFFAOYSA-N 427.382 5.276 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(Br)c1OC(C)=O 2331652823 KHVSSVZRDKJIQX-UHFFFAOYSA-N 431.326 5.513 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)CSc1ccccc1 2331780313 BOYNAQXIMPUDOR-UHFFFAOYSA-N 446.568 6.214 30 10 IKEE CN[C@@H](C#Cc1ccc(Br)cc1)c1ccc(NC(=O)OC(C)(C)C)cc1Cl 2361081327 GSGPTWCUMZFWSX-IBGZPJMESA-N 449.776 5.762 30 10 IKEE CC(C)C[C@H](CS)COc1c(Br)cc([N+](=O)[O-])cc1Br 2382177996 DDLMHFPORWFYIX-VIFPVBQESA-N 427.158 5.091 30 10 IKEE COc1ccccc1COc1ccc2c(c1)O/C(=C/C1=Cc3ccccc3O[C@@H]1C)C2=O 2127516 RTEUYVDLVWAUKU-OXVLKEGXSA-N 426.468 5.598 30 10 IKEE Cc1cc(C23CC4CC(CC(C4)C2)C3)ccc1/N=C/c1ccc(OCCCC(C)C)cc1 4737238 NLUAOFURCOUWCG-AJBULDERSA-N 429.648 8.028 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(Cc1ccccc1)[C@@H]2c1ccc(Cl)cc1 13923857 HXRQNMFUTYLPIC-HHHXNRCGSA-N 442.990 7.157 30 10 IKEE C=CCNC(=O)c1cccc2c1N[C@@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@H]21 14549272 ZHAPOXRISCLZND-OBZNHSRCSA-N 430.551 6.735 30 10 IKEE Cc1ccccc1CSc1nc2n(n1)[C@@H](c1cccs1)C1=C(CC(C)(C)CC1=O)N2 20850064 DNIAJIIBCUUTBY-FQEVSTJZSA-N 436.606 5.598 30 10 IKEE C=CCOc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)cc1 20891215 MDQJWAGFKBFPFY-OAQYLSRUSA-N 448.573 5.130 30 10 IKEE CC(C)Oc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(O)cc2)cc1 21220196 GTSVZGFFFFKFHC-MMTVBGGISA-N 440.543 6.159 30 10 IKEE CC(C)COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 21246050 XJIPSLWYJLPTAX-WINIVTDRSA-N 444.600 6.762 30 10 IKEE CCOC(=O)[C@@H](Oc1ccc2c(c1)O/C(=C\c1ccc(C(C)C)cc1)C2=O)c1ccccc1 27097611 CKCKEHADIZCAEX-BIWBSIMWSA-N 442.511 6.109 30 10 IKEE CCOC(=O)C1=C(Nc2cccc3ccccc23)S/C(=C/c2ccc(OC)cc2)C1=O 33409676 HSHLYGHTOOIUME-RCCKNPSSSA-N 431.513 5.392 30 10 IKEE C/C(=N/n1c(-c2ccc([N+](=O)[O-])cc2)cs/c1=N\C1CCCCC1)c1ccc(C#N)cc1 33689578 SCQWOICQRWYFGQ-VOMHGQTNSA-N 445.548 5.502 30 10 IKEE C=CCOc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccccc2)cc1 39877922 YYGTWRFKMUXCCU-RUZDIDTESA-N 437.495 5.724 30 10 IKEE Cc1ccc(-c2cc(/N=C/c3ccc(OCc4ccccc4)cc3)n(-c3ccccc3)n2)cc1 59385260 RLUDAWKMALBLKA-NJZRLIGZSA-N 443.550 7.177 30 10 IKEE C=CCCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(OCC)cc3)sc2c1 59721139 JCYFFMYHJAGXGL-UHFFFAOYSA-N 441.578 5.331 30 10 IKEE C=CCn1c(SCc2ccccc2C(=O)NCc2ccco2)nnc1-c1cccs1 96291125 DCBFUHOQACNERH-UHFFFAOYSA-N 436.562 5.008 30 10 IKEE CCCCN(CCCC)C[C@@H](O)Cn1cc(/C=C\C(=O)c2ccccc2)c2ccccc21 96498587 SDZIJGBMMXHWRM-AQLJSXSMSA-N 432.608 5.801 30 10 IKEE CCCCCCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)CC)cc1 100442309 YFWXLBXSMAOJFH-NRFANRHFSA-N 438.678 6.403 30 10 IKEE C[C@@H]1CCc2c(C#N)c(NS(=O)(=O)c3ccc4ccccc4c3)sc(=S)c2C1 101832931 RBULOPIQAAUOQW-CYBMUJFWSA-N 426.588 5.428 30 10 IKEE CC(C)c1ccc([C@@H]2/C(=C(/O)c3cc4ccccc4o3)C(=O)C(=O)N2c2nccs2)cc1 102696606 JJRZHGJEUZJJCB-SADKCHQCSA-N 444.512 5.639 30 10 IKEE O=C(/C=C\c1ccccc1)Oc1ccc2c(c1)O/C(=C/c1ccc(Cl)cc1Cl)C2=O 103022198 ZHSXGZNCWRLPAZ-WWYDJSHNSA-N 437.278 6.228 30 10 IKEE Cc1nc(N2C(=O)C(=O)/C(=C(\O)c3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)sc1C 103113104 ZJTZTVJBQOBHSS-VZCCSQPZSA-N 442.899 5.179 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C)c2C)cc1 169925044 PXZSWKKQRNVNGZ-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2cccs2)c1 169928495 DMJATBPDJURTIM-FQEVSTJZSA-N 439.920 5.189 30 10 IKEE CCCN1C(=S)N[C@@H](c2cc(Cl)c(OC)c(OC)c2)C(C(=O)c2ccccc2)=C1C 169928989 XTNTVDDLHTZQMY-FQEVSTJZSA-N 444.984 5.155 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccc(N(C)C)cc2)c1 169966826 YBKOCVVUUCXCFP-RUZDIDTESA-N 440.543 5.461 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2cccs2)cc1C 169983821 ZGNINVGDZMFSDS-HXUWFJFHSA-N 425.456 5.426 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2cccs2)cc1C 169984211 HYYZSXKZXKNYKO-OAQYLSRUSA-N 437.948 6.110 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(OC)cc2)=C(N2C[C@H](C)C[C@@H](C)C2)C1=O 170030482 RSIFKMAMZYAVFJ-WOJBJXKFSA-N 426.601 5.114 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2C2CCCCC2)cc1 170031942 GHRLSWPOLJHODO-RUZDIDTESA-N 433.548 5.315 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(CC)cc3)[C@@H]2c2ccccc2)cc1 170052611 AXTXOEDMOWPEDM-DEOSSOPVSA-N 427.500 5.431 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccccc2F)cc1C 170070383 NMIMHJLEMGEGPN-QFIPXVFZSA-N 435.882 5.879 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2c[nH]c3ccccc23)c1 170073631 DLHUQVDYNPSCGF-DEOSSOPVSA-N 440.474 5.707 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2c[nH]c3ccccc23)cc1 170075344 FAOMUFZGTZVVEK-SANMLTNESA-N 436.511 5.578 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccccc2C)c1 170086398 DUDIHJUAWCQCDC-XMMPIXPASA-N 443.499 5.104 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccc(O)cc2)cc1C 170133642 FUAINSONQRXDKQ-DEOSSOPVSA-N 443.499 5.109 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccs1 170163267 JWZZBSARFCNGBC-JOCHJYFZSA-N 446.572 5.528 30 10 IKEE Cc1ccc(-c2csc(C3=C(N)N(c4ccc(Oc5ccccc5)cc4)CC3=O)n2)cc1 170180114 SKAKHUZLBNYNNK-UHFFFAOYSA-N 439.540 5.627 30 10 IKEE Cc1ccc(-c2csc(C3=C(N)N(c4ccc(N5CCCCC5)cc4)CC3=O)n2)cc1C 170180161 DXZZLLJCXZCPRW-UHFFFAOYSA-N 444.604 5.134 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2ccccc2F)c1 170248633 PFBRRYJLNHRRCM-XMMPIXPASA-N 443.474 5.242 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2Cc2cccs2)o1 170298108 DMNAPNBJCXKOCF-OAQYLSRUSA-N 437.517 5.215 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1sccc1C 170315475 PHAXMKUOCSCZQH-OAQYLSRUSA-N 429.497 5.894 30 10 IKEE CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)C1=NNc1cccc2ccccc12 254519636 CXBLCLNZQRAKOM-UHFFFAOYSA-N 425.517 5.462 30 10 IKEE CCOc1ccc(N=C2Sc3nc4c(C)cccc4cc3CN2C2CCCCC2)cc1 254519702 JUZCJUQFXHJUHO-UHFFFAOYSA-N 431.605 6.870 30 10 IKEE Cc1cccc(N2C(=O)/C(=C3\Sc4ccccc4N3C)SC2=Nc2cccc(O)c2)c1 254736832 POPSVHWYECIZRI-CSFSZXLXSA-N 445.569 5.879 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(/C=C\C(=O)Cc2ccc(F)c(Br)c2)cc1 405934176 OJEVUFJSLXWTGF-POHAHGRESA-N 434.305 5.760 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)ccc(F)c1Br 407262016 IVKBJKSCYSVCDU-WMLDXEAASA-N 433.337 5.237 30 10 IKEE CC(C)COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccncc2)c1 526517288 RAVKNCMAQHCWRJ-XMMPIXPASA-N 425.488 5.045 30 10 IKEE COc1c(Cl)cc(/C=N\n2c(C)nnc2SCc2ccccc2F)cc1Cl 526802482 IJBSIWQUXLASAL-AFPJDJCSSA-N 425.316 5.216 30 10 IKEE CCCOc1ccc(/C=N\n2cnnc2SCc2ccc(C)cc2)cc1Br 526803879 SVBJKTRDYDNMPL-FMCGGJTJSA-N 445.386 5.312 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1ccccc1C(=O)O 526815139 ZZPXMVSTLUJWSK-KSEXSDGBSA-N 449.363 5.410 30 10 IKEE N#Cc1ccc(CN(c2ccc(N3CCCCC3)cc2)S(=O)(=O)c2cccs2)cc1 586215227 YMDCNGJIBCLEPK-UHFFFAOYSA-N 437.590 5.006 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(OC)c(OC)cc1Br 698463055 DIORRDCRKWERDL-SWLSCSKDSA-N 427.339 5.067 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)cc1 698892339 NHPAMLABUWOMQH-KOSHJBKYSA-N 429.561 5.276 30 10 IKEE O=C(/C=C/c1cc(Br)ccc1OC(F)F)c1ccc(C(F)(F)F)nc1O 731564945 VQFXVGBCRPAXLF-DAFODLJHSA-N 438.146 5.066 30 10 IKEE O=C(Nc1cccc(C#C/C=C\c2cccc(NC(=O)c3ccccc3)c2)c1)c1ccccc1 1083939890 CGIFFCNABVBOSQ-XFFZJAGNSA-N 442.518 6.256 30 10 IKEE N#Cc1cc(NC(=O)c2cccc3nc(O)[nH]c23)ccc1Oc1ccc(C(F)(F)F)cc1 1566137411 CFMPJOMWNOWWSO-UHFFFAOYSA-N 438.365 5.204 30 10 IKEE CCCCOc1ccc(/C=C2/S/C(=N/c3ccc(C)cc3O)N(CC)C2=O)cc1OC 1614236230 DINSNRXXLLEIKU-UQRBVYKBSA-N 440.565 5.512 30 10 IKEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](C(C)C)C1 1690427997 AEQPCIBHFHFFJY-SFHVURJKSA-N 434.588 5.069 30 10 IKEE Cc1c(C(=O)Oc2ccc3ccccc3c2)oc2c1C(=NNc1ccccc1)CC(C)(C)C2 1772728720 ZQDZZHDHYAVPLR-UHFFFAOYSA-N 438.527 6.749 30 10 IKEE O=C(O)c1cccc(N=C2S/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)N2c2ccccc2)c1 1772733502 BCASDCMZFRXGEL-KHSCPFDSSA-N 445.456 5.102 30 10 IKEE C=CCCCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 1848432547 FOVXICWTDKLURO-LJHIYBGHSA-N 426.597 5.746 30 10 IKEE N#Cc1ccccc1NC(=O)Oc1cccc2c(NC(=O)c3ccc(F)c(F)c3)cccc12 1858775954 DWNKRTBOUICEPU-UHFFFAOYSA-N 443.409 5.853 30 10 IKEE CC(C)(C)c1ccc(C(=O)Nc2cccc3c(OC(=O)c4cccc(C#N)c4)cccc23)cc1 1858918624 FUBOWOBDKUFTCA-UHFFFAOYSA-N 448.522 6.480 30 10 IKEE N#Cc1ccc(NC(=O)c2nn(-c3ccc([N+](=O)[O-])cc3)c(-c3ccccc3)c2Cl)cc1 1859382368 WYTPHEWHDIULCX-UHFFFAOYSA-N 443.850 5.225 30 10 IKEE CCCCCCCCCCNC(=O)c1c2c(nc3c(Br)cccc13)CCC2 1859578050 YBOFSXSMORESQI-UHFFFAOYSA-N 431.418 6.357 30 10 IKEE CCCCCCCCCNC(=O)[C@@H](C)Oc1cc(C)cc2oc(=O)c3c(c12)CCCC3 1860278462 QUTHLTAVWQWUDW-LJQANCHMSA-N 427.585 5.614 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)Cc1cc(OC)ccc1Cl 1860983302 YPUURCFUNKDDAF-JOCHJYFZSA-N 437.024 5.139 30 10 IKEE CCCCCCCCNC(=O)[C@](C)(CC)NC(=O)CCc1ccc(Br)cc1 1861110082 NNXDCDFOOFRGDP-QFIPXVFZSA-N 439.438 5.143 30 10 IKEE CCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)/C=C/c1ccc(Br)cc1 1861111674 SZJHJRNYFDGRQB-FOYQMUPJSA-N 437.422 5.224 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 1861221411 ZFCXHBPVEFWKRX-LOSJGSFVSA-N 443.676 5.050 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1sccc1C 1861736367 AOZDOFAJCMALEY-QFIPXVFZSA-N 444.641 5.360 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(Cl)cc1Cl 1862388226 DNCCFGFFRMIEPT-INIZCTEOSA-N 445.129 5.898 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(Br)cc1 1862452996 OSHYOEHKTXJMCC-KPZWWZAWSA-N 448.744 5.479 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccccc2)cc1 1862487071 RRGZKWQJMNQROG-RXFWQSSRSA-N 439.555 6.205 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccccc2F)cc1 1862490461 WDWFSUFOWBHWLC-VWLOTQADSA-N 443.518 5.572 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(Cl)cc1 1862490681 AXCIFVDLJIRNTD-QFIPXVFZSA-N 425.956 6.115 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2cccc(OC)c2)cc1 1862529539 HMKHNOZGSOEKTC-XMMPIXPASA-N 433.548 5.559 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN3CCCC3)[C@H]2c2ccccc2C)cc1 1862534866 YDTJZQAIEHMCLE-VWLOTQADSA-N 446.591 5.012 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)c1 1862559181 JEAROPKJZJDSLI-XDHUDOTRSA-N 442.515 5.007 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862559877 ZDANOBWYGVZQIB-MZNJEOGPSA-N 442.515 5.007 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862562262 BNSHQGKLFLHOKS-FQEVSTJZSA-N 446.469 5.446 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2cccc(C)c2)cc1 1862589008 BZGMXWDVNOUMKT-AVRWGWEMSA-N 441.527 5.603 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C(C)C)cc3)[C@@H]2c2ccccc2)cc1 1862660263 JILCGOXXSKDUSU-VWLOTQADSA-N 441.527 5.597 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccccc2)cc1 1862661179 TXOSQZWXBUVERT-VWLOTQADSA-N 425.528 5.631 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2cccc(F)c2)cc1 1862662933 NSHVKFBCVDQBMJ-QHCPKHFHSA-N 430.479 5.123 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccc2ccccc12 1862667049 RIYIHSWLIJJTFX-VWLOTQADSA-N 443.543 5.578 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccc2ccccc12 1862728261 XGSVVGJEJHTTEI-MHZLTWQESA-N 447.534 6.495 30 10 IKEE Cc1ccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1Cl 1862768920 MQFSJHQQZPJLGT-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE CCCCCCCCC(=O)Nc1sc(C(=O)Nc2ccccc2)c(C)c1C(=O)OCC 1866090480 QSCFOVAKGVXMPZ-UHFFFAOYSA-N 444.597 6.175 30 10 IKEE CCC[C@H](NC(=O)C[C@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866737170 AWPDRFBBXNDZMB-DQEYMECFSA-N 433.596 5.735 30 10 IKEE COc1cccc(-c2nc(Nc3cccc(C#N)c3)cc(N3C[C@@H](C)Cc4ccccc43)n2)c1 1868495804 PSDRMCADSFCINZ-IBGZPJMESA-N 447.542 6.098 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3nc[nH]c3[C@H]2C(C)C)nc(-c2ccc(C)cc2)n1 1869177277 IEODTSDIDVFOBW-RUZDIDTESA-N 428.584 5.113 30 10 IKEE CCCCCCCCn1cc(OCc2cccc(C)c2)c(=O)cc1CN(CCC)CCC 1870621381 XLHKIJQMFVGHJE-UHFFFAOYSA-N 440.672 6.718 30 10 IKEE C=CCOc1cn(CC=C)c(CNc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1=O 1870808963 IXDGLKQSSMZHAR-UHFFFAOYSA-N 443.572 5.796 30 10 IKEE CCCCCCCOc1cn(CCCOCC)c(CNc2cccc(Cl)c2C)cc1=O 1870830124 DITUGGHPMZZQJY-UHFFFAOYSA-N 449.035 6.198 30 10 IKEE CCCCCCCOc1cn(CC(C)C)c(CNc2ccc(Cl)c(Cl)c2)cc1=O 1870832063 OOICZXLOXGQKAU-UHFFFAOYSA-N 439.427 6.772 30 10 IKEE CCCCCCCOc1cn(CCCCCO)c(CNc2cc(Cl)ccc2C)cc1=O 1870838261 WBCIHFGNGUCJMT-UHFFFAOYSA-N 449.035 5.934 30 10 IKEE C=CCn1cc(OCc2c(F)cccc2Cl)c(=O)cc1CNc1ccccc1CC 1871089376 IZBDYACTJMRGJD-UHFFFAOYSA-N 426.919 5.580 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3cc(OCCOc4ccccc4)cc(C)c3C2=O)c1 1871396970 AJNLHNXAWDDYDG-IWIPYMOSSA-N 432.472 5.086 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccccc4C)cc(C)c3C2=O)cc1 1871409254 JRMZDAIMECYKIF-QHSFOXILSA-N 427.500 5.634 30 10 IKEE CC(C)c1cccc(C(C)C)c1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccco1)C2=O 1871453109 HARGAQREDGZOOM-OYKKKHCWSA-N 445.515 6.160 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1C 1871460080 UUMTZGMNHDOOFG-MCBOVYRESA-N 439.511 5.802 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccccc1 1872015157 RENHBRMSLNILBA-QHCPKHFHSA-N 442.625 5.358 30 10 IKEE C=CCN([C@@H](C(=O)Nc1cc(C)ccc1C)[C@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872572048 OWOUMLOWJCFUJT-HOYKHHGWSA-N 442.625 5.150 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccco3)n2)cc1OCCC 1872767736 ZFFHUXADCSSDKY-CSHXORCISA-N 436.533 5.870 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)c3cccc(NC(C)=O)c3)n2)cc1C(C)C 1872780055 YNAZESLCHHXKEN-NRFANRHFSA-N 447.560 5.699 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@@H](C#N)C(=O)COc2ccc(Cl)cc2)n1 1872787950 BPZSQTZIHDURSG-INIZCTEOSA-N 433.316 5.381 30 10 IKEE CCOc1cc(/C=N/Nc2oc(-c3cccs3)nc2C#N)ccc1OCc1ccccc1 1873462299 YILGFOHZNJWFKI-CVKSISIWSA-N 444.516 5.698 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](C)Oc1cc(C)cc2oc(=O)c3c(c12)CCCC3 1873935714 WRCFEZITKRZOKX-HXUWFJFHSA-N 441.612 6.004 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2C)n1/N=C/c1ccccc1OC 1874249419 CBVHXSNOPCKWMD-PCLIKHOPSA-N 436.581 5.157 30 10 IKEE C=C(C)CSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccc(Cl)cc1 1874255145 MRQMWIFKCLVMID-BRJLIKDPSA-N 441.000 5.986 30 10 IKEE C=CCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1cccc([N+](=O)[O-])c1 1874270185 JHVIWVZDEZVXFG-LFVJCYFKSA-N 429.505 5.091 30 10 IKEE COc1cc(/C=N/n2c(SCc3ccccc3)nnc2[C@H](C)c2ccccc2)ccc1O 1874395248 IDDXBQKVKCRAKM-CVLFLDGLSA-N 444.560 5.319 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3)n2/N=C/c2cc(C)ccc2O)c1 1874402183 MAYZHEPDVCJKIT-WPWMEQJKSA-N 442.588 5.560 30 10 IKEE Clc1cccc(Cl)c1/C=N/n1c(SCCc2ccccc2)nnc1[C@H]1CCCO1 1874448759 LFTFHJABFUCBLI-ANRKENSESA-N 447.391 5.653 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C(C)C)c(OC)c1 1874515849 SNZMKRHPQYOUCS-FSJBWODESA-N 430.961 5.247 30 10 IKEE O=[N+]([O-])c1cc(/C=N/n2cnnc2SCc2c(Cl)cccc2Cl)ccc1Cl 1874539219 TXWMHPDYGXOXKY-QPSGOUHRSA-N 442.715 5.321 30 10 IKEE CC(C)(C)c1ccc(OCCCc2nnc(S)n2/N=C/c2ccc(Cl)cc2)cc1 1874570867 MKULHTUAORZPDZ-BUVRLJJBSA-N 428.989 5.412 30 10 IKEE CCCN(CCC)C(=O)COc1c(/C=C/C(=O)c2ccc3c(c2)CCCC3)cccc1OC 1874571952 OUYJMUCNSLHZMQ-FOCLMDBBSA-N 449.591 5.498 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCc3cccc(C)c3)ccc3ccccc23)cc1OC 1874572974 OGNOFOLWWKLLKK-BUHFOSPRSA-N 438.523 6.641 30 10 IKEE O=C(/C=C/c1c(OCc2cccc(F)c2)ccc2ccccc12)c1ccc2c(c1)OCO2 1874582962 PCNCZIPDHRRWJJ-ZHACJKMWSA-N 426.443 6.183 30 10 IKEE CCCN(CCC)C(=O)COc1ccccc1/C=C/C(=O)c1ccc(OC)c2ccccc12 1874592248 URTNPIPTPGTGCC-JQIJEIRASA-N 445.559 5.772 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1OCCc1ccccc1 1874596173 ICUPOXJLTDCKSQ-YRNVUSSQSA-N 427.327 6.520 30 10 IKEE CCOC(=O)c1ccc(COc2cc(/C=C/C(=O)c3ccc(F)c(C)c3)ccc2OC)o1 1874596518 YCMBQYLLRIXNBP-BJMVGYQFSA-N 438.451 5.388 30 10 IKEE CCOC(=O)c1ccc(COc2cccc(/C=C/C(=O)c3ccc(Cl)c(Cl)c3)c2)o1 1874596631 VHEHXVYTDHSXAN-UXBLZVDNSA-N 445.298 6.238 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)NCc3ccccc3)c(Cl)c2)cc1 1874604325 GWMFMBOUMMTLID-GXDHUFHOSA-N 433.935 5.494 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OCC(=O)OCC(C)C)c([N+](=O)[O-])c2)c1C 1874628897 BCAYNSSBLCGAFN-VQHVLOKHSA-N 439.508 5.303 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1C 1874636457 AYFMOISIUSNREF-ZHACJKMWSA-N 436.935 6.449 30 10 IKEE CCCCCCC(=O)Oc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OC 1874693219 TYAJEYWCHFQSCF-CPNJWEJPSA-N 442.555 7.134 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3ccc(Cl)cc3)c2)cc1 1874695434 ARJREEZEZVTUFX-LICLKQGHSA-N 448.946 6.563 30 10 IKEE CCCOc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(F)cc3F)c2)cc1 1874699647 GGFRBANUOMIXHW-MDWZMJQESA-N 436.454 5.798 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OC(=O)CSc1ccccc1 1874702088 HLUCPJUAAJDAHQ-JLHYYAGUSA-N 432.541 5.906 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1OC(=O)c1ccc(F)cc1F 1874708353 YGIWJEKFWXRSES-UKTHLTGXSA-N 444.433 6.242 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OC(=O)c1ccccc1OC 1874716187 GIDUSLOFPHGQTL-ZRDIBKRKSA-N 430.500 5.744 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)c(Cl)c2)cc1 1875133200 JJJATROSJPYPPH-IZZDOVSWSA-N 435.863 5.980 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2)c1 1875137791 FAZFRTKJFABZCA-YRNVUSSQSA-N 440.495 5.565 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)cc3)c(Cl)c2)c1 1875139511 LYUPNWSSPSRRTC-VZUCSPMQSA-N 425.311 6.726 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)c1ccncc1 1875160124 BOJPINXSUPOFMB-GORDUTHDSA-N 429.806 5.137 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OC(=O)C3CCC3)c(Br)c2)c1C 1875168948 BFSDTDWZWKYDHW-CSKARUKUSA-N 441.365 6.284 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)Cc1ccc(F)cc1F 1875179041 PZTSYSYDCPESJB-BJMVGYQFSA-N 436.454 5.634 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1Cl)c1ccncc1 1875189244 GBYYVODOKRSYFM-ORCRQEGFSA-N 432.690 6.157 30 10 IKEE N#Cc1ccc(NC(=O)NCCSc2cn(Cc3ccccc3)c3ccccc23)cc1 1891852366 VEKVSMVXFMIDMK-UHFFFAOYSA-N 426.545 5.475 30 10 IKEE C#C[C@@H]1CC12CCN(C(=O)c1ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c1)CC2 1892110636 XJLTYDDILDBZKW-XMMPIXPASA-N 443.550 5.839 30 10 IKEE C[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)CN1C(=O)OC(C)(C)C 1900087882 AXORYJSZBLRLCL-NYHFZMIOSA-N 435.952 5.373 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)[C@H]2C[C@H]21 1907792028 AFKHKGGNDXSATE-YZZKKUAISA-N 447.963 5.373 30 10 IKEE C=C(COCc1ccccc1)C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Br 1922086469 QOQBPVGCIPASPO-UHFFFAOYSA-N 446.341 5.752 30 10 IKEE Cc1cc(Br)sc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 2039290457 SZVFTDQINNRDKL-CQSZACIVSA-N 441.778 6.479 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)NCC 2039333859 HEXIAFOSBBACPK-DQEYMECFSA-N 438.612 5.264 30 10 IKEE C=CCC1([C@@H](NC)c2ccc(Cl)cc2Br)CN(C(=O)OC(C)(C)C)C1 2077806327 RAUVRWRCPUZUME-INIZCTEOSA-N 429.786 5.176 30 10 IKEE CC[C@H](c1ccc(C2CCC2)cc1)n1nc(C2CC2)c(C=NO)c1I 2079951828 YXGRXDNXVMRJDB-GOSISDBHSA-N 449.336 5.440 30 10 IKEE N#Cc1cnc2c(-c3ccc(C(F)(F)F)cc3Cl)c(C3CCCCC3)nn2c1Cl 2081426943 GGCRYJSDBZEVCS-UHFFFAOYSA-N 439.268 6.641 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C1(CCF)CCN(C(=O)OC(C)(C)C)CC1 2082225165 PCMAGAUEYOBWAU-QHCPKHFHSA-N 448.623 5.505 30 10 IKEE CC(C)C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)Nc1ccc(Br)cc1 2149843755 PYOVULQYTSDAEW-HRAATJIYSA-N 436.394 5.426 30 10 IKEE CCCC1(CNc2cc(Br)cc(C#N)c2)CCN(C(=O)OC(C)(C)C)CC1 2162413426 IXGZKLJPEBLXNC-UHFFFAOYSA-N 436.394 5.550 30 10 IKEE CC(C)(C)OC(=O)N1CCc2c(cccc2Nc2ccc(Br)cc2C#N)C1 2162419758 LLBFAUUNIBWQKJ-UHFFFAOYSA-N 428.330 5.358 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)Nc2ccc3cc(Br)ccc3c2)C1 2197756996 ZIMDTFYXFGZXLF-UHFFFAOYSA-N 431.330 5.154 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(F)c(Br)c(F)c1 2207140187 BMQIKDBSLSHCMI-SJLPKXTDSA-N 445.348 5.075 30 10 IKEE CCCCCCCC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229115996 IXSZWXZFUWFBBR-SFHVURJKSA-N 426.395 5.815 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)C1=CCCCCCC1 2237400683 YGZBHNQKJPWDMC-IBGZPJMESA-N 436.390 5.735 30 10 IKEE C=C(C)CCCC[C@H](NC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2250129787 ZDVWYXFIJHWNQA-JYFHCDHNSA-N 430.633 5.555 30 10 IKEE C=CCCC1(C(=O)c2sc(C)c(Br)c2C)CN(C(=O)OC(C)(C)C)C1 2254923386 BSXDDIRGVOQSLN-UHFFFAOYSA-N 428.392 5.513 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCC(=O)O)c1sc(C)c(Br)c1C 2262198910 CZVFORHQLLYOAN-GOSISDBHSA-N 425.344 5.043 30 10 IKEE CC1(C)OB(c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)sc2Cl)OC1(C)C 2282616032 VUMHRANGYPYMFF-UHFFFAOYSA-N 432.565 5.260 30 10 IKEE Cc1cc(Cl)c(Br)cc1Nc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2282996692 YXFGXUPZVDGZJY-UHFFFAOYSA-N 437.574 5.036 30 10 IKEE CCOc1cc(C=C2Oc3ccc(Cl)cc3C2=O)ccc1OC(=O)c1ccc(C)cc1 2295847327 MIGDXTJBNUGXQI-UHFFFAOYSA-N 434.875 5.883 30 10 IKEE CN[C@@H](C#Cc1cccc(Br)c1)c1ccc(C)c(NC(=O)OC(C)(C)C)c1 2296289805 VQEGEEZRCKJIBT-IBGZPJMESA-N 429.358 5.417 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@](C#N)(N(C(=O)OC(C)(C)C)c1ccccc1)C2 2305677654 UNKCSZIHMYEILJ-WVMBUTMQSA-N 427.545 5.110 30 10 IKEE C=CCN1C(=O)C(=CC(Cl)=Cc2ccccc2)SC1=Nc1ccc(O)cc1C(=O)O 2314926931 VTDNHPZJSIJIFQ-UHFFFAOYSA-N 440.908 5.003 30 10 IKEE O=C(C#CC1CCC1)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2315825820 USCFUZWYCFOTRI-MUUNZHRXSA-N 426.512 5.251 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)c1 2319205753 YPUWOMMCVIEVQZ-NJDAHSKKSA-N 443.588 5.712 30 10 IKEE CCCCCCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccccc1OC)C3=O 2322188312 DTCWHGZXZRAATB-UHFFFAOYSA-N 435.564 6.132 30 10 IKEE COC(=O)c1ccc(COc2ccc(Cl)cc2C=CC(=O)c2ccc3ccccc3c2)o1 2322327868 IXJCGGKOJNRDAP-UHFFFAOYSA-N 446.886 6.348 30 10 IKEE CCCN(CCC)C(=O)COc1c(C=CC(=O)c2ccc3ccccc3c2)cccc1OC 2322328363 NLHZRTBNMIIZSO-UHFFFAOYSA-N 445.559 5.772 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCCC2 2322335769 NULDVWGLIONQDD-UHFFFAOYSA-N 447.918 6.602 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2c(OCC(=O)OCC(C)C)ccc3ccccc23)cc1 2322391520 AINNDWHQVDBNIB-UHFFFAOYSA-N 444.571 6.657 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(C)cc2C)c1OCC(=O)OCC(C)C 2322572753 CPTOQXUOSSKTFQ-UHFFFAOYSA-N 430.928 5.440 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2F)C3=O)cc1 2323076213 MLEFVEKRIJTNMZ-UHFFFAOYSA-N 448.446 5.133 30 10 IKEE O=C(COc1ccc(Cl)cc1Cl)Oc1ccc2c(c1)OC(=Cc1ccccc1)C2=O 2323088012 MMQMQVOPXFCINL-UHFFFAOYSA-N 441.266 5.594 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)ccc1OCC(=O)Nc1ccc(F)cc1 2323714024 SQILXQBMPPSBRL-UHFFFAOYSA-N 449.478 5.147 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OCC(=O)Nc1c(C)cccc1C 2323960050 DECTVODCGBLNAB-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(OC)c1OCc1ccc(Cl)cc1 2323969034 LTWNCGNUPMZMKA-UHFFFAOYSA-N 440.898 6.280 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(CN4CCC[C@H](C)C4)c(O)cc(C)c3C2=O)cc1 2324067961 YXHAAOVANGZKCR-SFHVURJKSA-N 434.580 5.395 30 10 IKEE Cc1c(OCCOc2ccccc2)ccc2c1OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2324220841 UKJAKELUUKWHLK-UHFFFAOYSA-N 441.310 6.376 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)c1OCC(=O)OCC(C)C 2324431303 WMSXYSLYAPHURJ-UHFFFAOYSA-N 430.928 5.440 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)cc1 2324451849 JPQGSMMPYRMBAD-INIZCTEOSA-N 447.462 5.165 30 10 IKEE Cc1cccc(OCCCOc2cc(C)c3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)c1 2324564153 ZMQUWOBKLAGWEK-UHFFFAOYSA-N 445.471 5.676 30 10 IKEE CCCOc1ccc(C=CC(=O)c2ccc(OC)c3ccccc23)cc1Br 2324682882 WAOHYHGIDNORFM-UHFFFAOYSA-N 425.322 6.296 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(Cl)cc1Cl 2325513186 PHEZQGOOLAKRIQ-UHFFFAOYSA-N 437.371 6.241 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1N=Cc1cccc(OC)c1OC 2325558963 ZYABMTKMMUDXFC-UHFFFAOYSA-N 430.961 5.076 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(O)c(OC)c1 2325593057 YSWHHKDRMPAHBK-UHFFFAOYSA-N 437.352 5.036 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1OC(=O)c1ccc(F)cc1 2325690257 BMKVBDHQSYLXKC-UHFFFAOYSA-N 426.443 6.103 30 10 IKEE COc1cccc(C(=O)C=Cc2cccc(OC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)c2)c1 2325707947 IWHJKRCDISVPSD-XZOQPEGZSA-N 432.903 5.954 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OC(=O)CCCOc2ccccc2C)c1 2325743419 NOLGGMOZKCBZPF-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OC(=O)Cc1ccccc1[N+](=O)[O-] 2325759687 XEKDGRORGYQGJF-UHFFFAOYSA-N 445.471 5.264 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OC(=O)c1ccc([N+](=O)[O-])cc1 2325764201 LMNTWMYVZUGQHA-UHFFFAOYSA-N 445.471 5.644 30 10 IKEE CCOc1cccc(C=Nn2cnnc2SCc2c(Cl)cccc2Cl)c1OC 2326511979 DBNNAUHFHPVLBT-UHFFFAOYSA-N 437.352 5.167 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1c(F)cccc1Cl 2326698082 ZCKZTFSVAHORBD-UHFFFAOYSA-N 429.735 5.860 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1ccc(F)cc1F 2327363517 CSQOGDLGORVBIH-UHFFFAOYSA-N 442.535 5.638 30 10 IKEE COc1ccccc1CCc1nnc(SCc2ccccc2C)n1N=Cc1ccco1 2328669734 LOFCHFRVXVOPAK-UHFFFAOYSA-N 432.549 5.148 30 10 IKEE CCCCOc1ccc(C=Nn2c(CCCOc3ccccc3)nnc2SCC)cc1 2328730138 IMPWBDRZSIEGBI-UHFFFAOYSA-N 438.597 5.463 30 10 IKEE CCSc1nnc(COc2cccc(C)c2C)n1N=Cc1c(Cl)cccc1Cl 2328841305 DTQIPLAHRJEXPF-UHFFFAOYSA-N 435.380 5.775 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccc(C)cc3C)n2N=Cc2cccs2)cc1 2328872992 XTTUVDLEQQHMPT-UHFFFAOYSA-N 448.617 6.018 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(Cl)cc1Cl 2329572928 BGAVDGFCHCWRFY-UHFFFAOYSA-N 437.783 6.456 30 10 IKEE Clc1cccc(C=Nn2c(Cc3ccccc3)nnc2SCCc2ccccc2)c1 2330493363 OLVODYPKKNDJAG-UHFFFAOYSA-N 432.980 5.739 30 10 IKEE C=CCSc1nnc(-c2ccccc2)n1N=Cc1ccc(OCc2ccccc2C)cc1 2330678313 HEXVUDQLSLZCCS-UHFFFAOYSA-N 440.572 5.993 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)cc(Cl)c1OC(=O)C(F)(F)F 2330750048 LYCGHCQPYXUUGM-UHFFFAOYSA-N 426.818 5.665 30 10 IKEE C=CCSc1nnc(CC(C)(C)C)n1N=Cc1ccc(OCCCC)c(OCC)c1 2330856620 BCFXLBUGBOBWMZ-UHFFFAOYSA-N 430.618 5.605 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2[C@H]2CCCO2)cc1 2330993552 YKVFLGNLRIFPTR-OAQYLSRUSA-N 441.000 6.081 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1 2331018286 HDEZZIXMVXJOPK-UHFFFAOYSA-N 431.444 5.038 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(C(F)(F)F)n2N=Cc2ccccc2Cl)cc1 2331124006 ADKCVDSPJXPLQD-UHFFFAOYSA-N 441.822 5.033 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)c1cccc(C)c1 2331138072 IGZPXRYZXVFCGI-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C(C)(C)C)cc1 2331404100 ZDZIGVZXNZOKAG-UHFFFAOYSA-N 428.989 5.802 30 10 IKEE CC(C)Cc1nnc(SCc2cccc(Cl)c2)n1N=Cc1cccc([N+](=O)[O-])c1 2331470070 DJRFERZQHSJSHV-UHFFFAOYSA-N 429.933 5.213 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2C2CCC2)cc1 2331500569 XNJQYSKNILJEKN-UHFFFAOYSA-N 438.572 6.038 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc([N+](=O)[O-])c1OC(C)=O 2331550257 WWMVBETUKICOED-UHFFFAOYSA-N 441.480 5.121 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccs2)c(Br)c1)c1ccc(F)c(F)c1 2331558807 DXKMOSLDNMDHAF-UHFFFAOYSA-N 449.272 5.904 30 10 IKEE C=C(C)CSc1nnc(COC)n1N=Cc1ccc(N(CC)Cc2ccccc2)cc1 2331571837 WTBIWWSOEMDDCX-UHFFFAOYSA-N 435.597 5.001 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)Cc1ccc(F)cc1 2331670084 RFOLMSJRFQMISK-UHFFFAOYSA-N 448.490 5.504 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc(N(C)C)cc1 2331709428 TVXZRTFWLAOVAM-UHFFFAOYSA-N 448.423 5.949 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1cccc(OC)c1 2331709457 WBWPTGWLLWFPPV-UHFFFAOYSA-N 430.500 5.826 30 10 IKEE COCCOCC(=O)Oc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1Cl 2331793000 XHJNKLWIXNZGSN-UHFFFAOYSA-N 444.955 5.410 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1coc(C(F)(F)F)n1 2367916155 KCALNIQXSRABNY-CYBMUJFWSA-N 446.223 5.462 30 10 IKEE O=C(/C(=C\c1c(Cl)cccc1Cl)c1nc2ccccc2[nH]1)c1ccc(Cl)cc1 14357358 MPKIJXNGVPYIJR-FOWTUZBSSA-N 427.718 6.947 30 10 IKEE CCCOc1ccc(Br)cc1/C=C1/S/C(=N/c2ccc(C)cc2C)NC1=O 15019441 KXXDJEYBQBFXQM-XDHOZWIPSA-N 445.382 5.746 30 10 IKEE Cc1ccc(C)c(C(=O)C[C@@H]2S/C(=N\c3ccc(O)cc3)N(c3ccc(O)cc3)C2=O)c1 15054996 PGDFQSNXABNCKC-YRZCPYHYSA-N 446.528 5.124 30 10 IKEE O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@H](c1ccccc1Cl)Sc1ccccc1N2 17099862 OEZKHJKSWUULBM-CPJLOUKISA-N 435.951 7.139 30 10 IKEE COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc([N+](=O)[O-])cc2)c1 21221391 MLAILDOJURAKKT-DWXRJYCRSA-N 441.487 5.583 30 10 IKEE CC(C)Oc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc3ccccc3c2)cc1 21247942 VFLMGPPNCSEHOY-ISKFKSNPSA-N 425.528 5.631 30 10 IKEE CC/C=C(\CC)C(=O)c1ccccc1[C@@H](C[C@@H](C)CC)NS(=O)(=O)c1ccc(C)cc1 32105741 FDXBWQQSFVREBJ-TYSJEDMRSA-N 441.637 6.380 30 10 IKEE O=C1/C(=C/c2ccc(Cl)c(Cl)c2)Oc2cc(OCc3ccc(F)cc3Cl)ccc21 33514072 WYFROSJTHGDDCY-WNFQYIGGSA-N 449.692 6.981 30 10 IKEE N#Cc1cccc(CN2CCCN(c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)C2=O)c1 34734301 AHXRKGSAVUDMDI-UHFFFAOYSA-N 444.922 5.296 30 10 IKEE COc1ccc(-c2c(C#N)c(SCc3ccc(F)cc3)nc3c2CN(C)CC3)cc1OC 40569875 GSZLQRCAXRNZJJ-UHFFFAOYSA-N 449.551 5.057 30 10 IKEE COc1ccc(O)c(/C=N/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)c1 59720671 XRNAGYZUPDIDLF-BRJLIKDPSA-N 432.354 5.871 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(C2CCCC2)C4)cc1 62993088 GGTQEUMWCNSABR-IWIPYMOSSA-N 432.564 5.552 30 10 IKEE C=C(C)COc1ccc([C@]2(C)NC(=O)N(C(c3ccccc3)c3ccccc3)C2=O)cc1 96546765 JPGKHWWJBCVXTH-MHZLTWQESA-N 426.516 5.198 30 10 IKEE CCCCCCCOc1ccc(NC(=O)CNc2cccc(NC(=O)C3CC3)c2C)cc1 100118947 OSRXUXYGRHTJBA-UHFFFAOYSA-N 437.584 5.743 30 10 IKEE CCCCCCCOc1cccc(NC(=S)NC(=O)c2cccc(OCC(C)C)c2)c1 100250010 UKKGZHNOGJTKGF-UHFFFAOYSA-N 442.625 6.197 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)S/C1=N/c1cccnc1Cl 101126445 MQCRMSAOKLFBEV-KRDYEMGESA-N 444.343 6.272 30 10 IKEE CCCCCCCCCn1c([C@@H]2CC(=O)N(c3ccc(OCC)cc3)C2)nc2ccccc21 101263059 HRZHQXDJESDSQT-JOCHJYFZSA-N 447.623 6.706 30 10 IKEE Cc1nn(C)c(Oc2ccc(F)cc2)c1/C=N/OCc1ccc(C(=O)OC(C)(C)C)cc1 144103419 ZHBQJMZELPPFJW-VULFUBBASA-N 439.487 5.166 30 10 IKEE COc1ccc(N/N=C/c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1 169885653 GGSHXVKUYXWIFO-FKIVBMLTSA-N 446.554 6.497 30 10 IKEE COc1cc(/C=N\n2c(C)nnc2SC)ccc1OCc1ccc(Cl)cc1Cl 169914749 UBWVREYPBROJGO-YVNNLAQVSA-N 437.352 5.085 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@H]2c2ccc(OC)cc2)cc1 169923268 DKMYACHMNZMNDH-VWLOTQADSA-N 441.527 5.603 30 10 IKEE CCCOc1c(OC)cccc1[C@H]1NC(=S)N(CCC)C(C)=C1C(=O)c1ccccc1 169928751 WTDUDMJVPPOYDT-JOCHJYFZSA-N 438.593 5.282 30 10 IKEE O=C1CCCC2=C1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)NC(=S)N2 169938953 AGCIBYFAJZYZKP-HXUWFJFHSA-N 433.360 5.098 30 10 IKEE CCCCCCCCCOc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c(Cl)c1 169941415 LOHMAWJQTNZGFW-UHFFFAOYSA-N 439.814 8.320 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@H]2c2ccc(O)cc2)c1 169959222 WCJYWNZLPCJMSU-DEOSSOPVSA-N 443.499 5.136 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2cccs2)s1 169985979 SGKHJAZFFHUKDO-MRXNPFEDSA-N 430.938 5.258 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1c[nH]c2ccccc12)c1ccc(F)cc1 170074061 CCDFYTQRVNOGNO-QFIPXVFZSA-N 430.410 5.229 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(OCCC)cc2)=C(N2CCCCC2)C1=O 170089235 QPNGBWNKJLDSLO-UHFFFAOYSA-N 426.601 5.402 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@H]1c1cccc(OC)c1 170120339 SDRGRVJNJRTUGN-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@H]1c1ccccc1OC 170125705 FZKHVILQTUZBPX-HSZRJFAPSA-N 437.536 5.253 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(N(C)C)cc1 170129251 JFCAFOPVDUPLGE-IBGZPJMESA-N 433.335 5.048 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccn2)cc1 170169863 UHGRLCWUVWQODA-HSZRJFAPSA-N 446.478 5.038 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccccn2)cc1C 170175708 OHUKPEJXBKNYCN-DEOSSOPVSA-N 442.515 5.107 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccncc1 170199376 HUHNWYWCBRHMES-QHCPKHFHSA-N 444.506 5.610 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccncc2)cc1C 170204579 SSVLYGJBAWWWRT-DEOSSOPVSA-N 442.515 5.270 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2OC)[C@@H]1c1cccc2ccccc12 170220721 BPUVLBQMPJQBJN-DEOSSOPVSA-N 445.515 5.235 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccccc2)c1 170227754 PJQJORLOCFPLLV-QHCPKHFHSA-N 425.440 5.230 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2Cc2ccco2)cc1 170266198 GMANGGPPOAGBFK-HSZRJFAPSA-N 426.472 5.102 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1Cc1ccco1 170274005 QBXQWCOZEYRMLK-QHCPKHFHSA-N 431.488 5.154 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1C1CCCCC1 170275419 FNBGQQZDIRHEKR-RUZDIDTESA-N 425.528 6.059 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@@H]1c1ccccc1C 170276612 WFVGVIZDYVQLIL-QHCPKHFHSA-N 435.564 5.680 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccco2)c1 170280912 VVLCSBKDIZOOHJ-HSZRJFAPSA-N 431.488 5.585 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1c1ccccc1 170314905 FIOAJMUFHXUHCL-QFIPXVFZSA-N 425.509 5.993 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)c1 170344368 SARTXVGQDSZWKV-NRFANRHFSA-N 437.417 5.797 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2cccc3ccccc23)cc1 170370013 CJMXPVIPPDGMGB-HSZRJFAPSA-N 425.440 5.224 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc(Oc2ccccc2)c1 170457007 QDBSDPBLKADELQ-VWLOTQADSA-N 442.515 5.385 30 10 IKEE COc1ccc2ccccc2c1/C=C1\SC(=Nc2ccccc2)N(c2ccccc2)C1=O 252601952 FEMIEZRCXCANGU-SBEYKLCGSA-N 436.536 6.657 30 10 IKEE Cc1ccccc1N=C1S/C(=C2/C(=O)N(C)c3ccccc32)C(=O)N1c1ccccc1C 252621217 MVLAYSHQJMDJKV-OHHJCTMOSA-N 439.540 5.459 30 10 IKEE Cc1ccc(-c2nc3ccccc3s2)cc1N=Cc1cc(Cc2ccccc2)ccc1O 254404912 ZNZUAZAAFRZZOD-UHFFFAOYSA-N 434.564 7.319 30 10 IKEE Cc1cc(-c2ccc(N=Cc3sccc3C)c(C)c2)ccc1N=Cc1sccc1C 254606741 JMCJBVOXUVVAEW-UHFFFAOYSA-N 428.626 8.211 30 10 IKEE C=C(C)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@]3(C)CC[C@H](O)C(=C)[C@@H]3[C@@H](O)C[C@@]21C 257545312 SSBVUUVGCIMTCL-QEFQHVCXSA-N 426.685 6.526 30 10 IKEE biogenic N#Cc1cccc(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1 526516009 LCDUZLPOOFPBHK-LJQANCHMSA-N 437.864 5.239 30 10 IKEE Cc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 526607962 ATBJTOAMFNPZKO-JOCHJYFZSA-N 435.310 6.231 30 10 IKEE COc1cccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccccc2)c1 526800104 NMDZYMIJQRXKJV-ITYLOYPMSA-N 428.561 5.246 30 10 IKEE COc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)c1cc(C)ccc1C 586258316 RDMJOEMOISKZNG-UHFFFAOYSA-N 440.952 5.233 30 10 IKEE CCCCCCCC[C@H](NCCC)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 702511883 UKDNRAJRDQBLRO-DQEYMECFSA-N 447.708 6.131 30 10 IKEE CCCC[Sn](CCCC)(CCCC)c1cc2ccccc2nc1C#N 715506093 BMHRMAVUXVWLQD-UHFFFAOYSA-N 443.223 6.163 30 10 IKEE O=C(CSc1nc2ccc(N=Cc3ccc(Cl)cc3)cc2s1)NC[C@H]1CCCO1 1084017419 SQCPJPTXVSHIRB-QGZVFWFLSA-N 445.997 5.088 30 10 IKEE CCc1ccc(/C=C2\SC(=Nc3cccnc3Cl)N(C3CCCCC3)C2=O)cc1 1772733544 NTRILSIVRPKZFO-OIYMOPNQSA-N 425.985 6.234 30 10 IKEE Fc1ccc(-n2cc(/C=N\NC(=S)Nc3ccccc3)c(-c3ccc(Cl)cc3)n2)cc1 1857809006 PACMPNKZKSURLL-WGARJPEWSA-N 449.942 5.652 30 10 IKEE COc1ccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)nn2Cc2ccccc2Cl)cc1 1859401935 HNBXVOPNFAZHQR-UHFFFAOYSA-N 442.906 5.384 30 10 IKEE COc1ccc(Cl)c(-c2cc(C(=O)Nc3ccc(C#N)cc3)nn2Cc2ccccc2)c1 1859404675 FIOVVOFNKBSOMU-UHFFFAOYSA-N 442.906 5.384 30 10 IKEE Cc1cc(C)c2oc(-c3ccc(C(=O)Nc4oc5c(c4C#N)CCCC5)cc3)cc(=O)c2c1 1859490326 LELHPVRAIPEISH-UHFFFAOYSA-N 438.483 5.673 30 10 IKEE CCCCCCCCCNC(=O)[C@H]1CC(=O)N(CCCC)[C@@H]1c1cccc(OC)c1OC 1860319132 JHCHRBILQNKKGQ-XUZZJYLKSA-N 446.632 5.260 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccccc1C 1862400895 PAWKLJWIKRNIRE-OFVILXPXSA-N 449.591 6.249 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2cccc(O)c2)cc1C 1862401079 SWTCUYKORMLEAG-XMMPIXPASA-N 447.531 5.178 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(O)cc1 1862411349 FOTHLJIPLSBSRG-JLCFBVMHSA-N 435.426 5.010 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccccc2Cl)=C(O)C(=O)N1Cc1ccc(F)cc1 1862429146 GYHMNRACJUYAMJ-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862444633 CNIYCOGPFPEYOR-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccccc1Cl 1862463430 HBZZQEZUCHVRPS-IBGZPJMESA-N 437.845 5.526 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(Cl)c(Cl)c1 1862466787 ATZNOJPAUKCATB-MRXNPFEDSA-N 430.209 5.009 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2Cl)cc1 1862476366 JKSZKAKEYBHUQT-DEOSSOPVSA-N 445.946 5.778 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1 1862477141 SQVCVXDYRUVKLG-JTHBVZDNSA-N 439.983 6.586 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccc(C)cc2)c1 1862488855 JRUJAYKANXHZQZ-VWLOTQADSA-N 441.527 5.399 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862488926 LIRSBGVVMMJHQJ-KBMIEXCESA-N 441.527 5.652 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2cccc(C)c2)cc1OC 1862576645 YRMIKLJFAVHQTF-WSCWJOSJSA-N 449.547 5.169 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1c(Cl)cccc1Cl 1862622662 HATZXDUKKOFATO-IBGZPJMESA-N 432.347 5.889 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(N(CC)CC)cc1 1862624499 YBJWGJVXFZRJSQ-XMMPIXPASA-N 446.591 5.595 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C2CCCCCC2)cc1 1862626834 GRCNXGFZNBHPQG-DEOSSOPVSA-N 447.531 5.279 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 1862675190 DLGFFLQXKZJFMA-JOCHJYFZSA-N 439.914 5.948 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1c(F)cccc1Cl)c1ccc(F)cc1 1862677688 IVTQVYPTMXDASB-NRFANRHFSA-N 445.893 5.919 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1c(F)cccc1Cl)c1ccc(F)cc1 1862678530 SFGJKFKFHKYBQF-NRFANRHFSA-N 439.845 5.397 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 1862690309 MIDUVGAJPTXVMX-HXUWFJFHSA-N 445.437 5.235 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cccc(Cl)c3)C2=O)c1 1863023937 OBDCRVXTMAFCQW-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CC[C@H](C(=O)N[C@H](C(=O)Nc1ccc(C#N)cc1)c1ccccc1)c1ccc(Cl)cc1 1866953409 ZILUGEHZXQRXBM-GOTSBHOMSA-N 431.923 5.201 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3cc(OC)ccc3[C@H]2C)nc(Cc2ccccc2)n1 1869073502 KBRNYFQOCXIHFI-OAQYLSRUSA-N 440.591 5.378 30 10 IKEE CCCCCCCCCCn1cc(OCc2ccccc2F)c(=O)cc1CSCCO 1870231074 DTYIUVFGISLWHV-UHFFFAOYSA-N 449.632 5.933 30 10 IKEE CCCCCCCOc1cn(CCCN2CCCC2=O)c(CSC(C)(C)C)cc1=O 1870252183 HLPWIJORPPSYBV-UHFFFAOYSA-N 436.662 5.242 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc(C)c2)cn1CCC1=CCCCC1 1870622796 WBHFFNRFCADBBS-UHFFFAOYSA-N 432.608 5.800 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCC)c(=O)cc1CNc1ccc(Cl)cc1 1871147929 MMWUISSOMPJNEU-UHFFFAOYSA-N 448.991 5.416 30 10 IKEE C=CCn1cc(OCCOc2ccc(C)cc2)c(=O)cc1CNc1ccc(C)c(Cl)c1 1871213078 KREHSLGLBQLHQQ-UHFFFAOYSA-N 438.955 5.374 30 10 IKEE CCOc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2cccc(C)c2)C4)cc1 1871348174 WFLARXVKDAKTEV-QFEZKATASA-N 441.527 5.670 30 10 IKEE Cc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(C35CC6CC(CC(C6)C3)C5)C4)C2=O)cc1 1871359563 QLEKSJXGSOGMRJ-MRUKODCESA-N 441.571 6.040 30 10 IKEE COc1ccc([C@@H](C)N2COc3c(cc4c(c3C)O/C(=C\c3ccco3)C4=O)C2)cc1OC 1871360100 ORDRQVOEHAOQBJ-HNEZCVDCSA-N 447.487 5.135 30 10 IKEE Cc1ccc(CCC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)cc1 1871367285 CWVGPHCLAWZIMI-XYGWBWBKSA-N 441.527 5.524 30 10 IKEE Cc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)cc1C 1871372339 LWHDLTWMSDTVBL-UUYOSTAYSA-N 429.428 5.355 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OC(=O)CC4CCCCC4)ccc3C2=O)cc1 1871380479 QBHQGVWJXMGROU-XYGWBWBKSA-N 433.548 6.025 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2C1=O 1871381342 VJCJOFFZKZJVKV-ODLFYWEKSA-N 426.877 5.311 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCCOc4ccccc4)cc(C)c3C2=O)cc1OC 1871397313 LUKWLMHONDUQQH-IWIPYMOSSA-N 432.472 5.086 30 10 IKEE CC(C)=C1Oc2c(ccc(O[C@@H](C)C(=O)Nc3ccc(Br)cc3)c2C)C1=O 1871409234 JELJLKIEOMUBFO-ZDUSSCGKSA-N 430.298 5.033 30 10 IKEE COc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4c(C)cccc4C)ccc3C2=O)cc1 1871432212 YLJKIEWLDHREBD-SMNNTEATSA-N 443.499 5.334 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1cccs1 1871837491 NFVZHCNXBKIWRJ-OAQYLSRUSA-N 448.654 5.492 30 10 IKEE C=C(C)CN([C@H](CC)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1cccs1 1872221677 QFDFYDLCTREYID-LJQANCHMSA-N 434.627 5.030 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872232484 FEHCYNFZBGYBHK-QFIPXVFZSA-N 449.016 5.331 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1ccccc1 1872427392 JODVKBDTCYASGA-NRFANRHFSA-N 434.989 5.023 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1C)[C@@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872441351 NKVXOFYDNOXTPQ-YADARESESA-N 442.625 5.232 30 10 IKEE CCCCCCN(CCCC)S(=O)(=O)c1ccc(OCc2ccc(C#N)cc2)cc1 1872722265 ZNTWVONWAYCGPS-UHFFFAOYSA-N 428.598 5.508 30 10 IKEE N#C[C@H](C(=O)CCCOc1ccccc1Cl)c1nc(-c2ccccc2Cl)cs1 1872764544 PNSPYYFVFSRHQO-OAHLLOKOSA-N 431.344 6.152 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@H](C#N)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 1872780242 DDVZQOFZJVJCHC-MRXNPFEDSA-N 441.896 5.487 30 10 IKEE CCCCCCCCCCN1C[C@H](C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)CC1=O 1873024332 XWBQCRAUUFKWCE-OFNKIYASSA-N 438.616 5.216 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CC)C1=O 1873167571 MVAWEYDLWKNMSW-UHFFFAOYSA-N 449.639 5.924 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccccc1)n2CCCOC 1873620963 CRNZIRYFNZTBHS-UHFFFAOYSA-N 437.588 5.493 30 10 IKEE CCCSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1ccc(F)cc1 1874198557 HLXDMZHGPDCTCQ-OVVQPSECSA-N 448.567 5.966 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1cccc(O)c1 1874216241 OXGPVUUXDLZKIL-ZVHZXABRSA-N 442.972 5.199 30 10 IKEE CCCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc(OC)cc1OC 1874284793 YLFAUNXBSUAJPR-BUVRLJJBSA-N 444.988 5.118 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CCc2ccccc2C)nnc1SCC(=C)C 1874362602 MUJDMHHLERNTPS-YZSQISJMSA-N 432.593 5.487 30 10 IKEE CCOc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2cccc(F)c2)cc1 1874417413 KHXKXKDGWQJZHQ-WPWMEQJKSA-N 446.551 5.581 30 10 IKEE O=[N+]([O-])c1ccccc1/C=N/n1c(SCc2ccccc2F)nnc1C1CCCC1 1874454587 LOSOSRSFNPGPQA-YDZHTSKRSA-N 425.489 5.158 30 10 IKEE CCSc1nnc(C2CCCC2)n1/N=C/c1ccc(N(CC)Cc2ccccc2)cc1 1874455517 WJFAHIUZYHJTHI-NLRVBDNBSA-N 433.625 5.956 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2ccccc2Cl)nnc1C1CCCC1 1874455815 MDDLBCBWIGHEOP-ZVHZXABRSA-N 426.973 5.772 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccco3)n2/N=C/c2cccc([N+](=O)[O-])c2)c1 1874466812 CKLCEMZFHXRRDQ-YDZHTSKRSA-N 433.493 5.238 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2ccccc2C)cc1 1874494336 WUZBIKLOVUDSTB-MFKUBSTISA-N 433.581 5.029 30 10 IKEE COc1cc(/C=N/n2c(SCc3ccccc3C)nnc2C2CCC2)cc(Cl)c1O 1874495064 SIKSPHPLCGVWMG-WYMPLXKRSA-N 442.972 5.396 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(CCC)nnc2SCc2ccc(F)cc2)cc1 1874504258 NHYGNMQZHIEASW-YZSQISJMSA-N 440.588 6.113 30 10 IKEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2C(C)C)cc1 1874511633 HVOGXOIHLKUGRY-AFUMVMLFSA-N 435.597 5.194 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc3ccccc3c2)c1OCC(=O)NC1CCCCC1 1874571576 VDDSTIGZEKQXOH-WUKNDPDISA-N 443.543 5.572 30 10 IKEE COc1cccc(C(=O)/C=C/c2cccc(OC)c2OCc2c(F)cccc2Cl)c1 1874572434 NCBWUYDEOWCJPL-OUKQBFOZSA-N 426.871 5.971 30 10 IKEE COC(=O)COc1ccc(Br)cc1/C=C/C(=O)c1ccc(C(C)(C)C)cc1 1874581913 MNVNVCVPMQLCPZ-YRNVUSSQSA-N 431.326 5.195 30 10 IKEE CCCNC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1cc(C(C)(C)C)ccc1C 1874589818 DUEBTYHWXRNQIK-CCEZHUSRSA-N 443.587 6.247 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 1874592206 RXYCNHWYYCKWNU-JXMROGBWSA-N 447.745 7.131 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 1874608386 LPZSKWKIILWWGH-UKTHLTGXSA-N 437.879 6.122 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Cl)c1OCc1ccc(C)cc1 1874611187 BBYOCCMNNDSPBX-JXMROGBWSA-N 428.862 6.410 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OCc3nc(O)c4ccccc4n3)cc2)cc1 1874622047 JFRYHIGDRAKDHX-LICLKQGHSA-N 438.527 6.108 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OCC(=O)Nc1cccc(C)c1 1874627692 RKSIZBFYGRSYPL-UXBLZVDNSA-N 437.442 5.195 30 10 IKEE CCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cc(C)ccc1C 1874687636 VBDRNOUCIDHLSV-SANMLTNESA-N 447.623 6.201 30 10 IKEE COc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3cccc(Br)c3)c2)cc1 1874697672 KEAGGUUPGPBAML-MDWZMJQESA-N 437.289 5.573 30 10 IKEE CCCOc1ccc(CC(=O)Oc2cc(/C=C/C(=O)c3ccc(C)cc3)ccc2OC)cc1 1874702814 KXFVXXSTZHXMDP-OQLLNIDSSA-N 444.527 5.837 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1OC(=O)c1ccccc1OC 1874706132 QRKWKNMWEZMPDQ-MHWRWJLKSA-N 444.527 6.117 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2cccc(OC(=O)c3cccc4ccccc34)c2)c1C 1874710971 NYKQOGYTGMFVTE-FOCLMDBBSA-N 434.535 7.189 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1OC(=O)c1cccc(C)c1 1874717525 ACKGJSODLURRMB-UXBLZVDNSA-N 441.310 6.426 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(Cl)s2)CSc2nnc(CCC)n21 1874867519 UNJBKDGZZLXSPK-HNNXBMFYSA-N 441.066 6.008 30 10 IKEE CC(C)(C)CC(=O)Oc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1Br 1875088198 PZWORICZBRNMQB-VQHVLOKHSA-N 446.297 5.595 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc2c(c1)OCO2 1875104787 NZCJSJJBVKCLCH-YCRREMRBSA-N 441.266 5.837 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3c(OC)cccc3OC)cc2)cc1 1875105939 SUVBWRVZIFUZFD-XMHGGMMESA-N 444.527 6.162 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(OC)c1OC(=O)c1ccc(C)cc1 1875111929 TVECCOJMNITPGK-JLHYYAGUSA-N 436.891 5.781 30 10 IKEE CCCCC(=O)Oc1c(OCC)cc(/C=C/C(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 1875126546 MVTFFJWFDCJFCR-KPKJPENVSA-N 431.872 5.639 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2)c(Cl)c1)c1ccc(Cl)c(Cl)c1 1875135214 GFBLECISWYLXNG-UXBLZVDNSA-N 431.702 6.762 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(C)c(C)c2)c(Cl)c1 1875143258 QSEQCWSKVHXIPE-JXMROGBWSA-N 434.919 6.389 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(-c3ccccc3)cc2)cc1 1875143716 NAVULPWHZYGCNE-WOJGMQOQSA-N 448.518 6.786 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)cc2Cl)c1 1875146340 PTQKMWQFZZQXHH-ZZXKWVIFSA-N 448.902 5.843 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)CC(C)(C)C)c(OC)c2)c1 1875172622 DZWYRDCVWKYMGX-FMIVXFBMSA-N 440.536 5.730 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)ccc1OC(=O)CC(C)C 1875179797 BPVSNFOYYKAOBN-VQHVLOKHSA-N 430.928 5.903 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)cc3)c([N+](=O)[O-])c2)c(C)c1 1875183222 PUOJDRBTMWHADF-UXBLZVDNSA-N 447.462 5.703 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3cc(Cl)ccc3Cl)cc2)cc1 1875191542 RBKRGLBAAVHULS-MDWZMJQESA-N 425.311 6.346 30 10 IKEE C=CCn1c(C(=O)N(CCC)CCC)cc2c(NCc3ccc(Cl)cc3)ncnc21 1875230669 JLSHIIUPFGATIT-UHFFFAOYSA-N 425.964 5.145 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1[C@@H](C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1890295718 VYODSAJKXXKRIE-PWRODBHTSA-N 443.588 5.399 30 10 IKEE N#Cc1cccc(N2CCN(C(=O)c3[nH]c4ccc(Cl)cc4c3-c3ccccc3)CC2)c1 1891163423 HXUPIJYNRPEXFC-UHFFFAOYSA-N 440.934 5.322 30 10 IKEE CC(C)CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(C4(C#N)CC4)cc3)cc21 1891349927 LHSCXFYXLYIUGK-UHFFFAOYSA-N 445.563 5.292 30 10 IKEE Cc1ccc2c(C(=O)N3CCC(COc4ncccc4C#N)CC3)cc3c(C)cccc3c2c1 1891815118 ULRYCYPSNQBOQM-UHFFFAOYSA-N 449.554 5.808 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1cccc2c1CN(C(=O)OC(C)(C)C)C2 1922121747 ZBLKQASAFYINHG-VWLOTQADSA-N 436.596 5.751 30 10 IKEE CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1931194545 QOLNLHUHNDOJDH-LEWJYISDSA-N 445.604 5.503 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 1944693966 DILLWRVIPZGCGG-ICSRJNTNSA-N 429.561 5.276 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@]2(C)CCN2C(=O)OC(C)(C)C)cc1 1999897063 LNEBCUCVOZIYFY-ZEQRLZLVSA-N 429.561 5.418 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C1(C)C 2013407225 MQHVVUIMSQONJS-GAJHUEQPSA-N 449.979 5.667 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 2033848377 SZZBBMMCVGJSJM-SUOOXSEHSA-N 431.580 5.826 30 10 IKEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2045241449 RRKPPOJFRNQWLZ-OSPHWJPCSA-N 447.551 5.497 30 10 IKEE N#Cc1ccc(Nc2ccc(Br)c(Br)c2)c(Br)c1 2065993346 RVRPNSBZIOOIIZ-UHFFFAOYSA-N 430.925 5.589 30 10 IKEE CC(C)(C)OC(=O)c1nn(Cc2c(F)cccc2C(F)(F)F)c(C(F)(F)F)c1Cl 2079181868 CZEGHCZYNILNON-UHFFFAOYSA-N 446.750 5.717 30 10 IKEE CCc1nn([C@H](c2ccc(C(F)(F)F)cc2F)C2CCC2)c(Br)c1C#N 2079876429 JJTOTOUDWCRELN-INIZCTEOSA-N 430.243 5.627 30 10 IKEE CC(C)c1ccc([C@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C2(C)CC2)cc1 2079956113 IKKXVLPQTHLNPB-IBGZPJMESA-N 430.390 6.018 30 10 IKEE CC[C@H](c1ccc(C2CCC2)cc1)n1nc(C(F)(F)F)c(C=NO)c1Br 2080002789 CRATURGSLWZBEK-OAHLLOKOSA-N 430.268 5.739 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](Nc2ccc(C#N)cc2Br)CC12CCCCC2 2155303286 BUNJQLDANUJIPA-MRXNPFEDSA-N 434.378 5.445 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1cccc2c1CCC2 2156043024 CXTSECGTFFQBOW-FQEVSTJZSA-N 427.342 5.944 30 10 IKEE CCN(Cc1cccc(Nc2ncc(Br)cc2C#N)c1)C(=O)OC(C)(C)C 2162423515 UBUONZFZJPSUGA-UHFFFAOYSA-N 431.334 5.216 30 10 IKEE CC(C)CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)c1cc(Br)cc(C#N)c1 2174808264 LVKJQTYKFLNZOB-GOSISDBHSA-N 436.394 5.183 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](Nc2cc(Br)cc(F)c2C#N)C[C@@H]1C1CC1 2198267716 VWXQCYINFKAOER-KBXCAEBGSA-N 438.341 5.050 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 2220392737 NKYTZIISOHJNHF-CEYNDMKZSA-N 449.636 5.874 30 10 IKEE Cc1sc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)c(C)c1Br 2226504390 WYWJQOPGDIQFRR-OAHLLOKOSA-N 439.350 6.273 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](O)c1sc(C)c(Br)c1C 2226504965 JKCDKIFQMONLTK-UXHICEINSA-N 438.431 5.302 30 10 IKEE C=CCCCCCCC[C@@H](N)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2227289372 ZZPAGFSTONYOEC-MUUNZHRXSA-N 443.631 7.761 30 10 IKEE C[C@H](NC(=O)OC(C)(C)C)c1ccc([C@H](N)C#Cc2ccccc2Br)cc1 2235749967 PUSVRMSRLNVOHQ-MGPUTAFESA-N 429.358 5.086 30 10 IKEE C=C1C[C@@H]1C[C@@H](NCCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237425263 PUWQWEVRGBFSTL-RLLQIKCJSA-N 437.422 5.219 30 10 IKEE CC[C@@H](C)N(Cc1ccccc1)C(=O)c1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1 2247778353 AMWMBCMYBDMONI-QGZVFWFLSA-N 427.781 5.080 30 10 IKEE C=C[C@@]1(Oc2nc3ccc(Br)cc3s2)CCN(C(=O)OC(C)(C)C)C1 2264302612 YRHZKOWMFYGLAK-GOSISDBHSA-N 425.348 5.003 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@@H]2Nc2c(Br)cccc2C#N)C1 2285239923 JNJHZHQWHNAHTK-UWJYYQICSA-N 434.378 5.302 30 10 IKEE CCCCN1C(=O)C(=C2Sc3ccc(Cl)cc3N2C)SC1=Nc1c(C)n[nH]c1C 2295190012 JACGFSGWKKACCZ-UHFFFAOYSA-N 448.017 5.454 30 10 IKEE CC(C)c1ccc([C@H]2C(=C(O)c3ccc(Cl)cc3)C(=O)C(=O)N2C[C@H]2CCCO2)cc1 2296132854 MZSMBVNVHXRFAN-IRLDBZIGSA-N 439.939 5.064 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)C[C@H](CC)CNC(=O)OC(C)(C)C 2296218393 DKRQKXMOPBJFFS-FXAWDEMLSA-N 437.422 5.110 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 2297458498 FHDWDEJFAWUXBB-XMMPIXPASA-N 440.455 5.086 30 10 IKEE C=CCN1C(=O)C(=Cc2ccccc2OCCOc2c(C)cccc2C)SC1=S 2297624568 BSEMIYBNKNXPSQ-UHFFFAOYSA-N 425.575 5.148 30 10 IKEE CC(C)C[C@H](CS)CSc1cc(I)ccc1Br 2308064617 WNDJHDOXXGGPET-SNVBAGLBSA-N 445.229 5.738 30 10 IKEE Cc1ccc(N=C2NC(=O)C(=Cc3ccc(-c4ccc(Cl)cc4Cl)o3)S2)cc1C 2313670572 GXZJOPPAXYVHSC-UHFFFAOYSA-N 443.355 6.762 30 10 IKEE COc1cccc(C(C)=C2SC(=Nc3cccc(C(=O)O)c3)N(c3ccccc3)C2=O)c1 2314548068 PDMGQNBCONFEPN-UHFFFAOYSA-N 444.512 5.592 30 10 IKEE O=C1C(=CC=Cc2ccco2)SC(=Nc2ccc(Cl)cc2)N1c1ccc(Cl)cc1 2314600076 CFGAMOYWVKJKCJ-UHFFFAOYSA-N 441.339 6.951 30 10 IKEE C=C(C)CSc1nnc(CC)n1N=Cc1c(OCc2ccccc2)ccc2ccccc12 2321000386 FYSUOYRHJHLFAH-UHFFFAOYSA-N 442.588 6.123 30 10 IKEE Cc1c(OCc2ccc(Cl)cc2Cl)ccc2c1OC(=Cc1cccc(Cl)c1)C2=O 2321784470 HYHBDTNECOTTKE-UHFFFAOYSA-N 445.729 7.150 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCc4cc(Cl)cc5c4OCOC5)ccc3C2=O)c1 2321876877 QGXPKMRNZUIPJL-UHFFFAOYSA-N 434.875 5.710 30 10 IKEE COc1ccccc1CN1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(Cl)cc1)C3=O 2321993617 BNVHKUIUCWUGTR-UHFFFAOYSA-N 447.918 5.625 30 10 IKEE Cc1ccccc1C=C1Oc2c(cc3c(c2C)OCN(Cc2ccc4c(c2)OCO4)C3)C1=O 2322371869 BCHWOICQSXILQG-UHFFFAOYSA-N 441.483 5.000 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1C 2322415672 ZPTFTIBZSWBHJH-UHFFFAOYSA-N 437.879 6.040 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)c1 2322617348 DKBOUKBMZXVJJM-UHFFFAOYSA-N 445.773 7.739 30 10 IKEE Cc1cc(C(=O)C=Cc2c(OCC(=O)Nc3ccccc3)ccc3ccccc23)ccc1F 2322634440 AZDJJDKRODVVNY-UHFFFAOYSA-N 439.486 6.201 30 10 IKEE Cc1ccccc1NC(=O)COc1ccccc1C=CC(=O)c1ccc(C(C)(C)C)cc1 2322681197 SZSOXPHSXDRXAX-UHFFFAOYSA-N 427.544 6.206 30 10 IKEE Cc1c(OC(=O)c2ccccc2Br)ccc2c1OC(=Cc1cccs1)C2=O 2322711418 WIUJOVJONKKSMG-UHFFFAOYSA-N 441.302 5.654 30 10 IKEE Cc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2Cl)C3=O)c1 2322877908 QUDJTMZVPNYGTL-UHFFFAOYSA-N 425.267 6.137 30 10 IKEE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2cn(C)c4ccccc24)C3=O)cc1 2323063361 KQKJHFQPAXNELC-UHFFFAOYSA-N 435.479 5.722 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1C(C)C 2323232161 JFWPLDHPXAODAK-UHFFFAOYSA-N 445.515 6.510 30 10 IKEE O=C(C=Cc1ccc(OCCc2ccccc2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 2323519151 RFCPNPCFCPMSQI-UHFFFAOYSA-N 442.298 6.419 30 10 IKEE Cc1ccc(-c2csc(NN=Cc3cc(Cl)c(OCC(C)C)c(Cl)c3)n2)cc1C 2323840060 HHHPNEDITDPHBW-UHFFFAOYSA-N 448.419 7.215 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(Cl)c2)c(C)c1 2323854726 SYIHHQFWXGNOSY-UHFFFAOYSA-N 447.962 6.487 30 10 IKEE C=CCN(CC=C)Cc1c(O)cc(C)c2c1OC(=Cc1cccc(Br)c1)C2=O 2324082655 YZAOGZNBDJWDHZ-UHFFFAOYSA-N 440.337 5.253 30 10 IKEE Cc1cc(OCCCOc2ccccc2)cc2c1C(=O)C(=Cc1ccc(N(C)C)cc1)O2 2324241286 PGBIGCIBKRSPJK-UHFFFAOYSA-N 429.516 5.525 30 10 IKEE CCOc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 2324395112 ZHJAQOUHUCKBNO-SFHVURJKSA-N 443.355 6.405 30 10 IKEE CCOc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4C)ccc3C2=O)cc1 2324406195 MFHAYVPVNPVEIZ-SFHVURJKSA-N 443.499 5.416 30 10 IKEE COc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 2324416699 XPXPXYHURJYTOT-GOSISDBHSA-N 439.334 5.471 30 10 IKEE Cc1cc(OCC(=O)N[C@H](C)c2ccccc2)cc2c1C(=O)C(=Cc1ccccc1F)O2 2325019745 JOVJSRJEIMMPGC-QGZVFWFLSA-N 431.463 5.007 30 10 IKEE COc1ccc(C)cc1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccc(F)cc1)C2=O 2325119388 USSBKFADBIEDTC-UHFFFAOYSA-N 447.462 5.085 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1cccs1)C2=O)Nc1c(Cl)cccc1Cl 2325129241 BYUDDGHDAXUXOF-UHFFFAOYSA-N 446.311 5.689 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCc4cccc(Oc5ccccc5)c4)cc(C)c3C2=O)c1 2325349288 HFGRNQYHAKMMHA-UHFFFAOYSA-N 448.518 7.291 30 10 IKEE COc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2cccc(F)c2)cc1 2325441904 ZJPJKOBASIOYKZ-UHFFFAOYSA-N 446.551 5.386 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3cccc(C=CC(=O)c4ccc5c(c4)CCCC5)c3)c(C)c2c1 2325702200 ILVNQJCDHASBOZ-UHFFFAOYSA-N 449.550 6.779 30 10 IKEE Cc1cccc(NC(=O)COc2ccc3c(c2C)OC(=CC=Cc2ccccc2)C3=O)c1 2325727316 HNDCLJUMQGPLFM-UHFFFAOYSA-N 425.484 5.493 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc2c(c1)OC(=Cc1ccc(C(C)C)cc1)C2=O 2325737156 GFJCJHQQOPBADB-UHFFFAOYSA-N 441.527 6.006 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2F)C3=O)c1 2325740790 HRHLYOMTCXNAKN-UHFFFAOYSA-N 431.463 5.385 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccccc3Cl)c2)c(OC)c1 2325761242 LSUNXEXSQDWTML-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE C=C(C)CSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccc(Cl)cc1 2327272474 MRQMWIFKCLVMID-UHFFFAOYSA-N 441.000 5.986 30 10 IKEE COc1ccc(OCc2nnc(SCc3ccc(C)cc3)n2N=Cc2ccccc2)cc1 2328336100 WPNNCYOULNGZNS-UHFFFAOYSA-N 444.560 5.349 30 10 IKEE Oc1cccc(C=Nn2c(COCc3ccccc3)nnc2SCc2ccccc2F)c1 2329342778 RZCISNJCBGSUCZ-UHFFFAOYSA-N 448.523 5.014 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccc(C)c(C)c3)n2N=Cc2cccs2)c1 2329428593 RVRLCXNQTMJWFX-UHFFFAOYSA-N 446.645 6.339 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3cc(C)cc(C)c3)c(OC)c2)cc1 2330742665 QPIKKHODMUIZIJ-UHFFFAOYSA-N 444.527 5.998 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 2330743760 LZNMKTAUZZXOJL-UHFFFAOYSA-N 435.863 5.926 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Cl)c(OC(=O)CC3CCCCC3)c(OC)c2)c1 2330772846 AYNXJZPKPIWDLO-UHFFFAOYSA-N 442.939 6.129 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc(Cl)c2)n1N=Cc1cccc2ccccc12 2330873287 KTHUJQKETIHOAU-UHFFFAOYSA-N 449.023 6.848 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OC(=O)CSc1ccccc1 2331108728 DUSQVJUJRHFGRZ-UHFFFAOYSA-N 440.467 5.567 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCc3ccccc3C)nnc2C(F)(F)F)cc1 2331114371 FPBLNVCBDKIDQD-UHFFFAOYSA-N 447.530 5.626 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2c(F)cccc2Cl)c(Cl)c1)c1cccc(Cl)c1 2331123315 HBBFQNQWSCVUOT-UHFFFAOYSA-N 449.692 6.901 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OC(=O)c1ccc(F)c(F)c1F 2331159398 PQFUGEAKIBHTKR-UHFFFAOYSA-N 446.808 5.881 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccco3)n2N=Cc2ccncc2)cc1Cl 2331225296 CXIHDDRJBUVZHA-UHFFFAOYSA-N 430.320 5.414 30 10 IKEE COCCc1nnc(SCc2cccc(C)c2)n1N=Cc1c(OC)ccc2ccccc12 2331256050 PVDMNGIORRSFAD-UHFFFAOYSA-N 446.576 5.112 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2cc(Cl)ccc2Cl)cc1 2331351968 QGUGEJGAEHBNEC-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)C2CCC2)c(Cl)c1 2331548678 UZPDULRMVBYCLR-UHFFFAOYSA-N 426.940 6.248 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc([N+](=O)[O-])c1OC(=O)C(C)(C)C 2331563799 FOCYTTSSOOXIHW-UHFFFAOYSA-N 433.407 5.119 30 10 IKEE CCCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1N=Cc1ccc(C(C)C)cc1 2331664027 QXBMKOGNIKXIOV-IBGZPJMESA-N 449.624 5.206 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc([N+](=O)[O-])c1OC(=O)C(C)C 2331666447 ULTZDGLJVSAMLJ-UHFFFAOYSA-N 441.480 5.076 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1cccc(F)c1 2331779737 NEHFWKVPQLLDBL-UHFFFAOYSA-N 432.491 6.265 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)CCc1ccccc1C 2331780211 CYXGSLICGDEIKA-UHFFFAOYSA-N 442.555 6.363 30 10 IKEE CCCCCCC[C@@H](Cc1ccc(I)c(Br)c1)NC 2349913855 RKNDCPIBJFRFHB-AWEZNQCLSA-N 438.191 5.545 30 10 IKEE CCCN[C@H](C#C[C@@H]1CC1(C)C)c1ccc(Br)cc1I 2365096181 NRWJFFTYTZXLOM-MLGOLLRUSA-N 446.170 5.144 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(C)cc(Br)c1OC 2365226529 VTHIEOLMJORXOG-ZWKOTPCHSA-N 441.410 5.276 30 10 IKEE CC(C)(C)OC(=O)N[C@]1(C)C[C@H]2CC[C@H]1C[C@@H]2Nc1ccc(C#N)c(Br)c1 2380857807 YUIIDYXPKUQZAW-CUNIBPJMSA-N 434.378 5.205 30 10 IKEE O=C(OCc1cc(-c2ccc(F)cc2)on1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 12725939 ZOONYLXGGOPPES-UHFFFAOYSA-N 433.279 5.875 30 10 IKEE CCOc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2cccc(Cl)c2)cc1 19811495 XMANQHLDNMTYTI-UHFFFAOYSA-N 446.963 6.150 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)c(Cl)c2)cc1 21220519 PHGXEUIVOGBBDD-WBVHZDCISA-N 430.331 5.396 30 10 IKEE COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2OC)C3)cc1O 21232083 JJRFZYXJSAOVFY-CRYYWNKWSA-N 442.515 5.389 30 10 IKEE CCc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cc(Br)ccc2F)cc1 21250128 SXCFDFJUPBIIJR-CRAIPNDOSA-N 442.328 5.155 30 10 IKEE COc1cccc(/C=C2/S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)c1O 33851488 UXMMXGQLBIVVGJ-JUMVDPBBSA-N 430.529 5.074 30 10 IKEE C=C[C@@](C)(O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC 36308712 AHXBDSYSKYKTRT-AREMUKBSSA-N 435.568 5.131 30 10 IKEE C=CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccccc2)cc1 39824806 GWWCTZSJNXCTAK-VWLOTQADSA-N 437.495 5.412 30 10 IKEE C=CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(CC)cc2)c1 39872805 JWMKLOFPDWIRBP-VWLOTQADSA-N 437.495 5.670 30 10 IKEE C=CCc1ccccc1OCCCn1c([C@@H](C)NC(=O)c2ccccc2)nc2ccccc21 40186201 YHPQVWGMHACDOT-OAQYLSRUSA-N 439.559 5.725 30 10 IKEE CC(=O)/C(=N\Nc1ccccc1[N+](=O)[O-])Sc1nc2ccccc2n1-c1ccccc1 59121502 IQVXYCOKAKLCLY-NJNXFGOHSA-N 431.477 5.040 30 10 IKEE COc1ccc(-c2oc(/N=C\c3ccc(C#N)cc3)c(C#N)c2-c2ccc(OC)cc2)cc1 59502769 QOJSSLIPBZVEME-LQNQUEJISA-N 433.467 6.125 30 10 IKEE CC1(C)CS/C(=N/c2cccc(C(F)(F)F)c2)N1C(=O)/C=C/c1ccc(Cl)cc1 105127973 RCLVYQHOWKDJRB-OHKROGAGSA-N 438.902 6.414 30 10 IKEE CCCCc1nnc(S)n1/N=C\c1ccc(OCc2ccccc2Cl)c(OCC)c1 169910922 IMAWMZQXRNSYDX-OYKKKHCWSA-N 444.988 5.423 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@@H]2c2ccc(OC)cc2)cc1 169923265 DKMYACHMNZMNDH-RUZDIDTESA-N 441.527 5.603 30 10 IKEE CCCN1C(=S)N[C@H](c2cc(Cl)c(OC(C)C)c(OCC)c2)C2=C1CCCC2=O 169930017 HYHKPFYXEPBQNX-HXUWFJFHSA-N 437.005 5.174 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1cc(C)cc(C)c1 169941199 MYKHDBMPOFMUHX-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@@H]1c1ccccc1OC 169942973 NSJHNPRVCZYTTO-XMMPIXPASA-N 443.499 5.104 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccc(O)cc2)cc1C 169959045 TWKSZFQFHJCSJG-XMMPIXPASA-N 443.499 5.109 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccc(O)cc2)c1 169960521 RQAXIWXQSMZMQC-DEOSSOPVSA-N 427.500 5.409 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2cccc(C)c2)cc1 170028376 QODWZIQQLPBUMN-XMMPIXPASA-N 443.499 5.185 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC)c3)[C@H]2c2ccccc2)cc1 170052570 CFVZNFPRWHTLQY-XMMPIXPASA-N 443.499 5.267 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)cc1 170057910 BKRKUHNQEPURNJ-NRFANRHFSA-N 437.854 5.271 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(F)cc1 170065051 HTSSGHMLCHYBGA-XMMPIXPASA-N 447.506 5.372 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2c[nH]c3ccccc23)cc1 170078403 XDJNREOROQMMKR-QHCPKHFHSA-N 430.504 5.088 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2ccccc2C)c1 170086172 HSHLVLUSCPBMEH-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2ccccc2C)c1 170142959 URBYARBYFDAYOW-DEOSSOPVSA-N 425.484 5.021 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@H]1c1cccc(C)c1 170147371 NHWSGLAOWUQXKT-XMMPIXPASA-N 435.564 5.798 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccs2)c1C 170158967 JGAYWARBJSLOLJ-WNSKOXEYSA-N 445.540 5.471 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccs2)ccc1Cl 170162387 RSEAXEVJXDJZJS-LJQANCHMSA-N 443.908 5.172 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(OC)c3)[C@@H]2c2ccccn2)cc1 170170770 OUZBXFCGAOTMNN-QFIPXVFZSA-N 448.906 5.089 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)c(C)c3)=C(O)C(=O)N2CCC)cc1 170215794 DIHTYMPSDSUXDD-QHCPKHFHSA-N 437.536 5.171 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cccc2ccccc12 170220805 AVULGRYCOGWQAW-JOCHJYFZSA-N 430.460 5.126 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1ccccc1 170223992 FTOZVTVMOKKDAP-HSZRJFAPSA-N 427.500 5.403 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1ccc(F)cc1 170238830 GXUCGOFXSOVAHL-HSZRJFAPSA-N 445.490 5.542 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2F)cc1C 170249255 YXEZCBBGGXWKNX-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2C2CCCC2)cc1 170268698 UIUZLTBNMFEWMZ-VWLOTQADSA-N 447.575 5.866 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccccc1C 170269820 KBAAJRDYSQVDMF-JOCHJYFZSA-N 447.556 5.460 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2Cc2ccc(OC(C)(C)C)cc2)c1 170458242 DXFABGCBPPKHGP-XMMPIXPASA-N 435.564 5.683 30 10 IKEE Cc1ccc2oc(-c3ccc(C(=O)Nc4sc5c(c4C#N)CCCC5)cc3)cc(=O)c2c1 170578084 YNRKZYSDLSICAK-UHFFFAOYSA-N 440.524 5.833 30 10 IKEE CCCCCCCCCC[C@H](NN)c1cc(Br)sc1Br 232915152 KPNYGPAZJHKQNN-ZDUSSCGKSA-N 426.262 6.308 30 10 IKEE COc1ccc(-c2nc3cc(N=Cc4cc(C)cc(Br)c4O)ccc3o2)cc1 252596204 CHEYKAZUNKETNI-UHFFFAOYSA-N 437.293 6.031 30 10 IKEE CCCCCCCCCCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@H]4[C@H]3CC[C@@]21C 253617973 GRAAWEGTURLYKP-NPMLQSMXSA-N 442.684 7.571 30 10 IKEE O=C(CCC(CC(=NO)c1ccc(F)cc1)=NO)N(Cc1ccccc1)Cc1ccccc1 254380858 NWEHDIQJVKGIOJ-UHFFFAOYSA-N 447.510 5.234 30 10 IKEE Sc1nnc(-c2ccco2)n1N=Cc1ccc(COc2c(Cl)cccc2Cl)o1 254441029 WHJUXPWJZGURKU-UHFFFAOYSA-N 435.292 5.188 30 10 IKEE CC1(C)C[C@](C)(c2ccccc2)c2cccc3c2N1C(=O)C3=Nc1ccc2c(c1)OCCO2 254524788 VHXBRGQYPOBSKD-MUUNZHRXSA-N 438.527 5.414 30 10 IKEE CCCCCCCCCCCCCCCCCCc1ccc2cc(C(C)=NO)ccc2c1 254713680 NWPNYXRNIAURSB-UHFFFAOYSA-N 437.712 9.842 30 10 IKEE N#Cc1cc(Br)ccc1CNc1c(Cl)cc(Br)cc1Cl 312414723 GJNWIFGXTDIJDE-UHFFFAOYSA-N 434.946 6.002 30 10 IKEE C#C[C@@H]1O[C@H](C)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 396454147 OOSYYPHMRPRIRG-LEZVGZISSA-N 442.555 5.163 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(F)ccc(F)c1Br 407067467 CTMLGFAISSOGIO-YOEHRIQHSA-N 433.337 5.237 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)c(Cl)c3)[C@@H]2c2cccs2)cc1 526491136 SHNJINGZBVXQBR-IBGZPJMESA-N 427.312 5.984 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(O)cc2)cc1 526515910 MWCKTOGSHQOSJZ-XMMPIXPASA-N 426.472 5.110 30 10 IKEE CCOc1ccc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526605721 FAKLSTUUYXRYJS-QHCPKHFHSA-N 430.891 5.668 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1cccc(C(F)(F)F)c1 526811298 HCWDMZPFKJTDQM-ZMFRSBBQSA-N 432.515 6.041 30 10 IKEE Cc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccccc1OCc1ccccc1 526811742 SHAGHZKRAKXTJF-YSMPRRRNSA-N 448.979 5.993 30 10 IKEE Cc1nnc(SCc2ccc(Br)cc2)n1/N=C\c1cn(C)c2ccccc12 526819612 JTUSTSIWPMLCAF-JJFYIABZSA-N 440.370 5.015 30 10 IKEE CCCOc1c(/C=N\n2cnnc2SCc2cccc3ccccc23)cccc1OC 526820717 ZPWUDTSIQMFMQW-YSMPRRRNSA-N 432.549 5.403 30 10 IKEE CC(C)(C)c1ccc(S(=O)(=O)OC2CCC(NC(=O)CC3CCCCC3)CC2)cc1 586509250 UUWZREGRVBGEBS-UHFFFAOYSA-N 435.630 5.087 30 10 IKEE Cc1cccc(CSc2n[nH]c(NN=Cc3ccc4ccc5cccc6ccc3c4c56)n2)c1 1083911732 SKZVFNQLSSOHIA-UHFFFAOYSA-N 447.567 6.749 30 10 IKEE COc1ccccc1CSc1n[nH]c(NN=Cc2c3ccccc3cc3ccccc23)n1 1083975677 DZXJESDCXFTZTG-UHFFFAOYSA-N 439.544 5.858 30 10 IKEE C/C(=N\N=C1\S[C@H](CC(=O)O)C(=O)N1c1ccccc1)c1ccc(C2CCCCC2)cc1 1084079218 LNLMFHAGZIYXGD-UHRGKQQDSA-N 449.576 5.438 30 10 IKEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc3c(nc2O)CCC(C)(C)C3)cc1 1292564129 GERZGWFUIXUIST-UHFFFAOYSA-N 443.503 5.227 30 10 IKEE C[C@@H]1C/C(=N/c2ccc(F)cc2)c2cc(F)ccc2N1C(=O)c1ccc(Cl)c(F)c1 1615947406 BKTKRBPGIMXODB-AODVPYLJSA-N 428.841 6.317 30 10 IKEE COc1ccc(/C(C)=C2/SC(=Nc3nnc(C)s3)N(C3CCCCC3)C2=O)cc1 1772733775 ANKYNEYKJQRDLD-CTNAHEIOSA-N 428.583 5.182 30 10 IKEE CCCCCCCOc1cccnc1NC(=O)Nc1cccc(C(=O)OCCCC)c1 1858854456 XWVSJBKZRDDHJW-UHFFFAOYSA-N 427.545 6.032 30 10 IKEE C=CCOc1ccccc1OCC(=O)Nc1nc(-c2ccc(Br)cc2)cs1 1859478290 KBJFUWHWXVLDJF-UHFFFAOYSA-N 445.338 5.155 30 10 IKEE CCCCCCCCCCn1c(C)cc(OC(c2ccccc2)c2ccccc2)cc1=O 1860784779 FNXZJLGMCAJTPP-UHFFFAOYSA-N 431.620 7.466 30 10 IKEE N#Cc1c(NC(=O)CSc2nc(-c3cc(F)ccc3F)cs2)sc2c1CCCC2 1860817425 OQSCAHOMEILYPF-UHFFFAOYSA-N 447.557 5.631 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCSC)NC(=O)c1ccccc1OCC 1861356419 XFTWAWZFKFOFGQ-NRFANRHFSA-N 436.662 5.194 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2cccs2)cc1 1862414399 ZFGUSICIQCWZIR-OAQYLSRUSA-N 439.483 5.367 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(Cl)cc1)c1ccc(F)cc1F 1862417721 YJGMMQONTOOBQZ-HXUWFJFHSA-N 431.866 5.529 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccccc1Cl)c1cccc(Cl)c1 1862446328 PSWLWQUITAUSQI-IBGZPJMESA-N 444.339 5.833 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CC(C)C)c1 1862450052 YRHFLHKGHSKVQZ-NRFANRHFSA-N 427.928 5.363 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C(C)C)cc1 1862453642 FGLKPLIZLDJBQD-JOCHJYFZSA-N 441.955 5.896 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc(C)c2)cc1 1862475613 QKGZNUDOCUWASV-RXFWQSSRSA-N 439.555 6.205 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2cc(Cl)cc(Cl)c2)cc1 1862483282 YTIBXSGXDIGKFD-FQEVSTJZSA-N 448.346 5.305 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 1862491851 DACQTFZROVFDDH-LXBDKUERSA-N 448.519 5.369 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@H](C)CC)cc1OC 1862496239 GEBPGWRWHMDHIB-UZUQRXQVSA-N 437.536 5.088 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2cccc(F)c2)cc1 1862501552 FOCOMCNNYNIJOY-HSZRJFAPSA-N 449.453 5.060 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2cccc(C)c2)cc1 1862514222 GCFWQKLZHXJODL-VWLOTQADSA-N 441.527 5.562 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1cccc(Br)c1 1862540674 SMXMXSXKLLIBBJ-FQEVSTJZSA-N 442.353 5.390 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCCCCO)c1 1862613529 JZZAVYAXSMXBQG-QHCPKHFHSA-N 435.564 5.033 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccc1Cl 1862652877 LKJFZQJBYQDTPH-QHCPKHFHSA-N 449.934 5.497 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862660729 PTAIOCYLORNOKM-SANMLTNESA-N 439.555 6.205 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862662322 HFMAYVGYYVYYFS-AREMUKBSSA-N 445.603 6.674 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc3c(c2)OCCO3)cc1 1862666360 BSJAWSCVXAISNQ-DEOSSOPVSA-N 447.531 5.102 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(N(CC)CC)cc1 1862668344 WSIWHNJNWKMFIN-DEOSSOPVSA-N 432.564 5.421 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 1862688292 VVLIXVARCXYPML-HSZRJFAPSA-N 447.918 5.170 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(F)cc1F 1862726039 XLCGNJIOSPLVMX-GYCJOSAFSA-N 447.481 6.009 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3cccc(Cl)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1863029319 IICFIQPZANOPRM-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(C)cc3)C2=O)cc1 1863270878 ZCBYYEOASWSXSY-IBGZPJMESA-N 435.527 5.382 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccccc2Cl)C1=O 1863446672 HYOUTMOWXZIEQM-IBGZPJMESA-N 435.955 5.763 30 10 IKEE CCCCCCCCNC1=C(c2ccc(Cl)cc2)C(=O)N(CCc2cccs2)C1=O 1863535833 WNQPMXPKBGHMOB-UHFFFAOYSA-N 445.028 5.674 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)NCC1(c2ccccc2)CCC1 1866029745 FEZUHEZINJHXKT-UHFFFAOYSA-N 427.717 8.486 30 10 IKEE CCC[C@H](NC(=O)[C@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866989872 FWSASRBXWRTXSK-SFTDATJTSA-N 446.378 5.528 30 10 IKEE CCCc1nc(Nc2cccc(C#N)c2)cc(N2CCC[C@@H]2c2nc3ccccc3s2)n1 1868377995 DZSSJPPDZXWHPQ-HXUWFJFHSA-N 440.576 5.996 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3cc(OC)c(OC)cc32)nc(-c2ccc(C)cc2)n1 1869177595 NMGPZBJYQKIBRI-UHFFFAOYSA-N 442.563 5.342 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCCCC)cn1CCc1c[nH]c2ccccc12 1870675843 BLVDFSRUCQXIMR-UHFFFAOYSA-N 433.596 5.315 30 10 IKEE CCCCCCCCn1cc(OCC)c(=O)cc1CNc1cccc(Br)c1 1870784464 OWHUHBRLKUPSGW-UHFFFAOYSA-N 435.406 5.982 30 10 IKEE C=CCOc1cn(Cc2ccc(Cl)cc2)c(CNc2ccc(F)c(Cl)c2)cc1=O 1870811811 IAKKHMUYWPFHJL-UHFFFAOYSA-N 433.310 5.519 30 10 IKEE CCCCCCCOc1cn(CC(C)C)c(CNc2ccc(CCCC)cc2)cc1=O 1870831575 FUOPTSDGJFSFBS-UHFFFAOYSA-N 426.645 6.808 30 10 IKEE C=CCn1cc(OCCCCOc2ccccc2)c(=O)cc1CNc1ccccc1C(C)C 1871225887 OPRMKFVUORAGBY-UHFFFAOYSA-N 446.591 6.008 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccccc1F)O3)CN(CCc1ccc(Cl)cc1)CO2 1871344820 XYANBQXYBLSJTK-QRVIBDJDSA-N 449.909 5.798 30 10 IKEE CCCCOCCCN1COc2c(cc3c(c2C)O/C(=C\c2ccc(C(C)C)cc2)C3=O)C1 1871355678 GFLMUUWTGWKFEG-MYYYXRDXSA-N 449.591 6.093 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4cc(Cl)ccc4Cl)cc(C)c3C2=O)o1 1871381606 YCJAYHNXMXLDDY-OCKHKDLRSA-N 429.255 6.039 30 10 IKEE Cc1cc(OCCc2ccccc2)cc2c1C(=O)/C(=C/c1ccc(-c3ccccc3)cc1)O2 1871400330 WSLAYWPDOLVYJY-USHMODERSA-N 432.519 6.900 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OCC(=O)Nc3ccc(C(C)C)cc3)ccc2C1=O 1871435294 CXOWQHZDCHDUDB-XKZIYDEJSA-N 433.529 5.814 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C)cc4)cc(C)c3C2=O)cc1 1871454843 WFPVNSAZDAYNEA-OYKKKHCWSA-N 427.500 5.500 30 10 IKEE Cc1c(OCC(=O)Nc2ccccc2C(C)C)ccc2c1O/C(=C\c1ccccc1)C2=O 1871456247 UORIMPPGQRYPBF-IWIPYMOSSA-N 427.500 5.752 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(-c3ccccc3C)cc2)[nH]c(N(C)C)n1 1871639396 GQSGNKHMOAPYBJ-UHFFFAOYSA-N 432.616 5.851 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccccc1C)c1ccccc1)S(=O)(=O)c1cccs1 1872418729 HBQMNEDYKUWASD-QFIPXVFZSA-N 440.590 5.003 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1ccccc1 1872428008 XFRCZQMXTUIIGG-JOCHJYFZSA-N 449.016 5.269 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3cc(Cl)ccc3Cl)n2)cc1F 1872774873 DYUKODDKMHTKGC-AWEZNQCLSA-N 435.307 5.684 30 10 IKEE CCCOc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)cc1 1872785804 WGXHCZQMMBKKIF-SFHVURJKSA-N 440.952 5.680 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc(CN2CCC(N3CCCCC3)CC2)cc1 1872881019 VRICGWDWCWUAGX-UHFFFAOYSA-N 441.704 6.007 30 10 IKEE CCCSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1cccc(O)c1 1874198607 JXTNOJSTXRBLIF-NLRVBDNBSA-N 446.576 5.533 30 10 IKEE CCCc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccco2)cc1 1874258208 PBEBISOBUHTCCK-PCLIKHOPSA-N 432.549 5.577 30 10 IKEE CCCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(C(=O)O)cc1 1874270284 OGNUQSTYEVVYQT-PCLIKHOPSA-N 430.533 5.105 30 10 IKEE CCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc(Cl)cc1Cl 1874276719 ZXIPZTGHAMJFKG-FSJBWODESA-N 439.799 6.018 30 10 IKEE Cc1ccccc1/C=N/n1c(Cc2ccccc2F)nnc1SCc1ccccc1C 1874373120 IOGZXNOUURPULR-JVWAILMASA-N 430.552 5.799 30 10 IKEE Clc1cccc(/C=N/n2c(COc3ccccc3)nnc2SCc2ccccc2)c1 1874384279 HVMOEQBWZFPRDD-MFKUBSTISA-N 434.952 5.685 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccccc3)nnc2[C@@H](C)c2ccccc2)c1 1874395922 YMZNNWBYTGOJDM-OJWZXOLNSA-N 428.561 5.613 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3)n2/N=C/c2ccccc2O)c1 1874398619 KPBGQUVFGOBDEK-YZSQISJMSA-N 428.561 5.252 30 10 IKEE CN(C)c1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccccc2F)cc1 1874438572 HKKZSLKLCOLOOM-MFKUBSTISA-N 425.577 5.246 30 10 IKEE COc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCCc2ccccc2)c(OC)c1 1874439704 NZYKCCVUCFWRHQ-KOEQRZSOSA-N 438.597 5.101 30 10 IKEE CCSc1nnc(C(F)(F)F)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874459717 CDHRJOZQIBPZID-BHGWPJFGSA-N 440.878 5.524 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2cccc(C)c2)nnc1-c1ccco1 1874465264 ADFCNFAGLDSZEN-PCLIKHOPSA-N 432.549 5.810 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccco3)n2/N=C/c2c[nH]c3ccccc23)c1 1874466906 IHMWAMGBSRJVQA-VULFUBBASA-N 427.533 5.811 30 10 IKEE CCCSc1nnc(-c2ccco2)n1/N=C/c1ccc(OCc2ccccc2C)cc1 1874467946 JZXFSCRKATWJJS-PCLIKHOPSA-N 432.549 5.810 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1ccc(C(C)(C)C)cc1 1874476767 WWOBRTGHGDAJDD-WPWMEQJKSA-N 434.653 6.710 30 10 IKEE CCCCc1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1cccc2ccccc12 1874478932 ZXDORHAUDPZLJN-YZSQISJMSA-N 449.624 5.197 30 10 IKEE CCCCc1nnc(SCC(=O)OCC(C)C)n1/N=C/c1ccc(Cl)c(Cl)c1 1874479448 AQPGTCHUNDCICM-LSHDLFTRSA-N 443.400 5.101 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3)nnc2C(C)(C)C)cc1 1874480932 HYPAYUKFAGDKSP-MFKUBSTISA-N 435.597 5.312 30 10 IKEE C=CCSc1nnc(C2CCC2)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874496526 QNPRHCLLPWZVMF-MFKUBSTISA-N 438.984 5.938 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2c(F)cccc2Cl)c1 1874511662 JCQRZKTXCVFSMB-BHGWPJFGSA-N 445.951 5.115 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CC2)cc1OC 1874519625 CRMCAIPGMAXOTK-ZMOGYAJESA-N 442.972 5.391 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2cc(C)ccc2C)c1OCc1ccccc1Cl 1874580575 UYASXRBVQNKBKC-ZHACJKMWSA-N 441.354 7.094 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCc2cccc3ccccc23)cc1Cl 1874590527 MHZGYQGCRKVVKI-FYWRMAATSA-N 428.915 6.977 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2cccc(OCC(=O)NCc3ccccc3)c2)c1C 1874599278 FHORKRRNRLJWGV-BUHFOSPRSA-N 427.544 5.512 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Cl)c1OCc1ccccc1C 1874612129 DJNBDOCEWMYBSK-VAWYXSNFSA-N 441.354 7.176 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(OC)c1OCc1ccc(C)cc1 1874624231 SDGCPYCBRBLTMD-XNTDXEJSSA-N 430.544 6.611 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C 1874625652 PHAYYGAJPCDJNT-AWNIVKPZSA-N 447.506 5.755 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OCc1ccccc1C 1874626316 XYOWXBBZJGRJHI-SDNWHVSQSA-N 444.571 6.785 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccccc3F)c2)cc1C 1874696137 KJIUTVTYAJAPRU-DHZHZOJOSA-N 434.463 5.196 30 10 IKEE CCCOc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 1874698318 QASXGAJQYBDJAN-OVCLIPMQSA-N 445.471 5.428 30 10 IKEE CCCc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(F)cc3F)c2)cc1 1874700012 XBQDIUZZXFZEKR-NTEUORMPSA-N 436.454 5.798 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1cccc(/C=C/C(=O)c2ccc(C)cc2C)c1 1874702396 ONLIXHNMWRSEPU-FYWRMAATSA-N 430.500 5.583 30 10 IKEE Cc1cc(C(=O)/C=C/c2cccc(OC(=O)CC34CC5CC(CC(C5)C3)C4)c2)ccc1F 1874703908 NLPDVJKSWODMCC-VMPITWQZSA-N 432.535 6.542 30 10 IKEE CCCCC1CCC(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(F)c(F)c3)c2)CC1 1874711044 QNGONRFXLIESNP-XNTDXEJSSA-N 426.503 6.763 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1OC(=O)Cc1ccccc1 1874712743 OVTVUOYQLKBKCN-JLHYYAGUSA-N 430.500 5.365 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3ccc(CC)cc3)c(OC)c2)cc1 1875103828 REEHDCCSVNDAKB-XNTDXEJSSA-N 448.946 6.589 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Br)c2)cc(Cl)c1OC(=O)C1CC1 1875114271 HQFNUKLMDSJMIA-VMPITWQZSA-N 435.701 5.323 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC(=O)Cc1ccccc1F 1875121975 BXVLVTMZXSFJSA-UXBLZVDNSA-N 426.390 5.157 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC(=O)Cc1ccc(C)cc1 1875125039 NSWFJVIXFPZNHZ-XYOKQWHBSA-N 436.454 5.716 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)c1cncc(C)c1 1875134193 MZJAEWBIMYOOGN-PKNBQFBNSA-N 441.527 5.859 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)cc3)c([N+](=O)[O-])c2)cc1 1875138486 PVMCTXQMJDGJTE-MKMNVTDBSA-N 445.471 5.807 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)Cc1ccccc1OC 1875140521 KNYXNCNWPGHECG-WYMLVPIESA-N 444.527 5.755 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cncc(C)c3)c(Cl)c2)c(C)c1C 1875167159 RTWLBHRYPMMKMT-VMPITWQZSA-N 435.907 5.784 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2cccs2)c([N+](=O)[O-])c1 1875170678 KPGKNNWBNIZJIW-SOFGYWHQSA-N 437.473 5.397 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3C)cc2)cc1Cl 1875187720 VOQAQNDWPINMEB-NTEUORMPSA-N 434.919 6.091 30 10 IKEE C#CCN1CC[C@@H](NCC)[C@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875652749 URZZWONZNRFISD-GGXMVOPNSA-N 440.587 5.203 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)Cc3cc(Cl)ccc3Cl)ccc21 1890583408 WFLXASUUVINRRK-UHFFFAOYSA-N 433.335 5.112 30 10 IKEE N#Cc1csc([C@@H](CCC(=O)O)CNC(=O)OCC2c3ccccc3-c3ccccc32)c1 1951738526 JSQUHNFVAYNIGK-KRWDZBQOSA-N 446.528 5.107 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@](C)(NC(=O)OC(C)(C)C)C1CCC1)NCCC 2013736600 YKZUDJPLXITQAU-OZXSUGGESA-N 430.633 5.601 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2ccccc2NC(=O)OC(C)(C)C)c1 2031833155 ZCCCTGSNARGOFP-NRFANRHFSA-N 437.540 6.348 30 10 IKEE COc1ccc(N=C2NC(=O)C(=Cc3cc(C)n(-c4ccc(C)c(C)c4)c3C)S2)cc1 2040446756 LBSIPRJLQJGLNP-UHFFFAOYSA-N 431.561 5.611 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)c1 2041702758 SGOAOWHPTIAVHS-FZWXVRBQSA-N 441.572 5.561 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCCN(Cc3ccccc3)C2)cc1 2050134155 SVRKKGMPCHMLKF-AREMUKBSSA-N 435.568 5.385 30 10 IKEE COc1ccc([C@@H](n2nc(C(F)(F)F)c(C#N)c2Br)C(C)(C)C)c(C)c1 2079928356 FFCCOUZZSXVQEI-OAHLLOKOSA-N 430.268 5.489 30 10 IKEE CC[C@@H](c1ccc(C(F)(F)F)cc1)n1nc(C(F)(F)F)c(C=NO)c1Br 2079933545 ACTVIFPLIWWNNX-NSHDSACASA-N 444.173 5.491 30 10 IKEE COc1ccc([C@@H](C2CCC2)n2nc(C3(C)CC3)c(C=NO)c2Br)cc1F 2080112469 GPVHNYUUAXEWBR-QGZVFWFLSA-N 436.325 5.042 30 10 IKEE Fc1c(-c2c(C(F)(F)F)nn3c(Cl)c4c(nc23)CCCC4)cccc1C(F)(F)F 2081495029 WKDKCXVCHJNVKW-UHFFFAOYSA-N 437.746 6.105 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 2082161382 MRBSZOGLNZZZAH-OSWQYVSFSA-N 443.588 5.712 30 10 IKEE O=C(CC#CC1CCCCC1)c1cc(Br)ccc1I 2093444550 VNWHABWOSCZJLK-UHFFFAOYSA-N 431.111 5.210 30 10 IKEE N#Cc1ccc(N)c(Nc2cc(Br)c(Br)c(Br)c2)c1 2095446159 QYSVKKSPTYPQMJ-UHFFFAOYSA-N 445.940 5.172 30 10 IKEE CCCCCCCC[C@@H](NC)[C@H](O)c1scc(Br)c1Br 2150561371 DSFOEEFZLZLSRM-OCCSQVGLSA-N 427.246 5.645 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)c(F)c1F 2159130593 SYKMVAHWFVFSCH-QAPCUYQASA-N 445.348 5.075 30 10 IKEE CC(C)(C)OC(=O)N1Cc2ccc(Nc3cc(Br)c(C#N)cc3F)cc2C1 2162386065 XGYXCDQENPQDOD-UHFFFAOYSA-N 432.293 5.454 30 10 IKEE C[C@@H]1CCCN(c2ccc(C#N)c(Br)c2)[C@@H]1CCCNC(=O)OC(C)(C)C 2174808201 LJOWPNNFOPQEQL-DNVCBOLYSA-N 436.394 5.231 30 10 IKEE CC(C)(C)OC(=O)NCC1(F)CCC(CNc2ccc(Br)cc2C#N)CC1 2178646786 XSKJHALHKFEVKL-UHFFFAOYSA-N 440.357 5.156 30 10 IKEE CCCCCCCCCCCC[S@@](=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2195290373 YPTGZNOMCVLHJT-IIMAJNMQSA-N 439.618 5.036 30 10 IKEE CC(C)(C)C#CCCNCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2222824695 LQHSIMXELABGMC-UHFFFAOYSA-N 427.588 6.374 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@]1(C#N)Cc1c(Br)sc2ccccc12 2224757757 ZYMBAIKONOZJSR-HXUWFJFHSA-N 435.387 5.890 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 2243597665 YTQQSAKELTYNSI-SVBPBHIXSA-N 444.575 5.405 30 10 IKEE C#CCN(CC(C)C)C(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2243927198 RULOCLYMOFTNMY-AREMUKBSSA-N 446.591 5.058 30 10 IKEE CC[C@H](C)N(Cc1ccccc1)C(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2247767852 GVKNWXLYBWQAEB-KRWDZBQOSA-N 427.781 5.080 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@@H]1CN(C(=O)OC(C)(C)C)CC12CC2)NCCC 2251336323 NXQZFOCKKNFQGQ-DHIUTWEWSA-N 428.617 5.165 30 10 IKEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2255922141 NTVUBPQSRSRCDB-NBGIEHNGSA-N 449.636 5.732 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)c1c(F)c(F)c(Br)c(F)c1F 2267829925 XPMNGZQCECSHSR-MRVPVSSYSA-N 440.231 5.048 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cccc(Cl)c1Br 2272003800 KNWSMHCHCBHIAI-AEFFLSMTSA-N 445.829 6.003 30 10 IKEE CC1(C)OB(c2ccccc2NC(=O)N(Cc2ccccc2)CC2CCCCC2)OC1(C)C 2282746667 BXVWCGHIQVHEGX-UHFFFAOYSA-N 448.416 5.600 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)[C@@H]2Nc1ccc(Br)c(C#N)c1 2285787130 DWWPFMGVVRWUIZ-MKJFMTOSSA-N 434.378 5.205 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H](CC(=O)C#Cc1cccc(Br)c1)C1CCCC1 2296218209 BQIGAPLSKMHHNZ-GOSISDBHSA-N 434.374 5.091 30 10 IKEE CN(C)c1ccc(N2C(=O)C(=O)C(=C(O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 2296287815 JGIXGZPRIAAVOA-QFIPXVFZSA-N 432.907 5.032 30 10 IKEE O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](c2ccccc2)C1=C(O)c1ccc(F)cc1 2296311721 NBJGHJSMIDKCJL-FQEVSTJZSA-N 441.380 5.471 30 10 IKEE Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(Cl)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 2296311805 CKNKAYBXZNYPSZ-OAQYLSRUSA-N 448.862 5.183 30 10 IKEE N=C(C=Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NOC(=O)c1c(F)cccc1F 2297563698 WUFYRKZPKXRHCD-UHFFFAOYSA-N 438.274 5.354 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)C(C)(C)[C@@H]1CCCCN1C(=O)OC(C)(C)C 2300673576 JOGVGZHBXJEUQC-XZOQPEGZSA-N 430.633 5.553 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(OCc2ccccc2)cc1 2314470311 IDDMJFKUZHSWNC-JWQCQUIFSA-N 438.612 6.166 30 10 IKEE COC(=O)c1ccc(C=C2Oc3c(ccc(OCC=Cc4ccccc4)c3C)C2=O)cc1 2321817101 CKZAEOOYQCYSBW-UHFFFAOYSA-N 426.468 5.490 30 10 IKEE CC(C)(C)c1nnc(S)n1N=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 2321908668 ZKLBBVNVNISAHK-UHFFFAOYSA-N 435.380 5.632 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccncc1)C3=O)CN(CCCCc1ccccc1)CO2 2322442868 AYWQYYFFQIRLHB-UHFFFAOYSA-N 426.516 5.181 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1cccc2ccccc12)c1ccc(F)cc1F 2322501977 JMGQFSVCOMZJAA-UHFFFAOYSA-N 434.869 7.247 30 10 IKEE Cc1ccc(C(=O)C=Cc2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)c(C)c1 2322572627 RNZSRDLFTUUVLY-UHFFFAOYSA-N 437.495 6.840 30 10 IKEE Cc1ccc(COc2ccc(Br)cc2C=CC(=O)c2ccc(F)c(C)c2)cc1 2322627631 UCVQJWXGFNGPMK-UHFFFAOYSA-N 439.324 6.680 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccccc1OCc1nc(O)c2ccccc2n1 2323022210 UIHZVWOTFOUUFB-UHFFFAOYSA-N 446.890 5.473 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cc(Cl)ccc1OCC(=O)OCC(C)C 2323022571 KPTMDFNFSWISOT-UHFFFAOYSA-N 437.319 5.476 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3cc(C)cc(C)c3)c2)cc1C 2323081356 WXJCRVFNSXUDTF-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE CCOC(=O)c1ccc(COc2cc(C=CC(=O)c3ccc(F)cc3F)ccc2OC)o1 2323106036 LXRPOTBMODEHCO-UHFFFAOYSA-N 442.414 5.218 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)ccc1OCC(=O)NC1CCCCC1 2323481531 LVXXVAFVPOUGRZ-UHFFFAOYSA-N 435.564 5.372 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cc(C)cc(C)c3)c(OC)c2)c1 2323511126 UEMLRRQHOGUUQH-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE CCOc1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2cccnc2)C3=O)cc1 2323511835 VWHKKFIMJZQGTI-UHFFFAOYSA-N 427.456 5.024 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)Oc1ccc2c(c1)OC(=Cc1ccco1)C2=O 2323665933 BZKPAOJYHABERU-UHFFFAOYSA-N 431.227 5.430 30 10 IKEE Cc1cc(OC(=O)c2cccc(OC(C)C)c2)cc2c1C(=O)C(=Cc1ccccc1F)O2 2323809127 ZCTTYYSQTPHGSL-UHFFFAOYSA-N 432.447 5.757 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3C)c(OC)c2)cc1 2323844213 JSKXJADVUGOMCW-UHFFFAOYSA-N 445.515 5.316 30 10 IKEE CCCCCCCCCOc1ccc(C=C2C(=O)C3CCN2CC3)cc1Br 2323858107 FZNBJPHLOOFCHE-UHFFFAOYSA-N 434.418 6.214 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3)c(Br)c2)cc1F 2324111041 PKWAYZWYOVLIBG-UHFFFAOYSA-N 441.296 6.072 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OCc1ccccc1F 2324332192 PIYLDELLKDQLAV-UHFFFAOYSA-N 448.534 6.552 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)c1 2324395005 JVAYMFCIONEYJZ-UHFFFAOYSA-N 447.487 5.867 30 10 IKEE COc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1C)OC(=Cc1cccs1)C2=O 2324473867 SOKGFKFIHRLXRM-HNNXBMFYSA-N 435.501 5.087 30 10 IKEE Cc1ccsc1C=C1Oc2cc(O[C@H](C)C(=O)Nc3cccc(C)c3C)ccc2C1=O 2324498833 SJUHRIDJVYVUNI-QGZVFWFLSA-N 433.529 5.696 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCc3ccc(C)cc3)c(OC)c2)c(OCC)c1 2324498926 DUTAEFKNWCTAFM-UHFFFAOYSA-N 446.543 6.276 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OCCCOc4ccc(CC)cc4)c3C)C2=O)cc1 2324665491 ARQXDHFWMQDIMQ-UHFFFAOYSA-N 442.555 6.584 30 10 IKEE Cn1cc(C=C2Oc3cc(OCc4nc(O)c5ccccc5n4)ccc3C2=O)c2ccccc21 2325204239 YXOJPFQHQBKEDE-UHFFFAOYSA-N 449.466 5.022 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1ccco1)C2=O)Nc1cccc(Cl)c1Cl 2325734386 UWITUPYWODRKSG-UHFFFAOYSA-N 430.243 5.220 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cccc(OC(=O)COc3ccc(Cl)c(C)c3)c2)c1 2325740430 COTHRCCPIKOVKN-UHFFFAOYSA-N 434.919 6.146 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2cccc(OC(=O)c3cccc(OC)c3)c2)c1 2325758209 UGHHFTBHPNOGRE-UHFFFAOYSA-N 446.499 5.608 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OC(=O)c1ccc(OC(C)=O)cc1 2325759768 SYQKQJLQSGLXBY-UHFFFAOYSA-N 444.483 5.353 30 10 IKEE CSc1nnc(CCc2cccc3ccccc23)n1N=Cc1cn(C)c2ccccc12 2326558101 BTZNDDIYHMSKIA-UHFFFAOYSA-N 425.561 5.312 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1cccc(OC(C)C)c1 2326603354 DSSPHZYWSCLDFV-UHFFFAOYSA-N 436.625 6.199 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(COc2c(C)ccc(C)c2C)nnc1SC 2327233290 ARQCUHDINGCUDX-UHFFFAOYSA-N 446.576 5.548 30 10 IKEE Fc1ccccc1CSc1nnc(CCCOc2ccccc2)n1N=Cc1ccccc1 2328746257 JITJQZUUPBFGOS-UHFFFAOYSA-N 446.551 5.603 30 10 IKEE Cc1cccc(OCc2nnc(SCc3ccccc3)n2N=Cc2ccccn2)c1C 2328846859 QBFOWACTGGEUJY-UHFFFAOYSA-N 429.549 5.043 30 10 IKEE COc1cccc(C=Nn2c(Cc3ccc(C)cc3)nnc2SCc2ccccc2C)c1 2329939996 QDZJOVHBJAUSKI-UHFFFAOYSA-N 442.588 5.669 30 10 IKEE COc1cccc(C=Nn2c(SCc3cccc(C)c3)nnc2[C@@H](C)c2ccccc2)c1 2330073642 XQFFWLIFGWCVDS-FQEVSTJZSA-N 442.588 5.921 30 10 IKEE Clc1ccc(C=Nn2c(SCc3ccccc3)nnc2-c2ccccc2)cc1Cl 2330670927 AVLFOWAVKCYNRO-UHFFFAOYSA-N 439.371 6.426 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H](C)c3ccccc3)c(OC)c2)cc1 2330850932 CREFFTLDLJKLBM-OAQYLSRUSA-N 442.555 6.643 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(OC)c1OC(=O)Cc1cccs1 2330911104 ZBUCXUSPXSEIIQ-UHFFFAOYSA-N 442.920 5.463 30 10 IKEE Oc1ccccc1C=Nn1c(SCc2ccc(Cl)cc2Cl)nnc1[C@H]1CCCO1 2330999200 PUZZLKKFZHXCKM-GOSISDBHSA-N 449.363 5.317 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)Cc2cc(C)ccc2C)c(Cl)c1 2331059326 IZESVXUBEVICOY-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE Fc1cccc(Cl)c1C=Nn1c(SCc2ccccc2Cl)nnc1C(F)(F)F 2331141832 OLSRIPQUUXBPNS-UHFFFAOYSA-N 449.260 5.917 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(C)cc2)cc1Br 2331273927 ZTKWSXNVYAWILH-UHFFFAOYSA-N 429.354 6.529 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1cccc(Cl)c1 2331450383 BVTGZMRVLMZYJA-UHFFFAOYSA-N 436.847 5.193 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cccc2ccccc12 2331467697 VHAWVNLDYQASTH-UHFFFAOYSA-N 434.996 6.458 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2cccc(Cl)c2)cc1 2331499866 ACANEGHGRRLXFI-UHFFFAOYSA-N 439.972 5.120 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)c1c(F)cccc1Cl 2331535346 OECHPNPNBVGJNS-UHFFFAOYSA-N 442.845 6.132 30 10 IKEE CCCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccc(F)cc2)cc1OCC 2331539562 RNWCWDLKMRPJOT-UHFFFAOYSA-N 435.289 5.589 30 10 IKEE Fc1ccccc1C=Nn1c(SCc2ccc(Cl)c(Cl)c2)nnc1C1CCC1 2331541930 VLJPTWYPJDRPQR-UHFFFAOYSA-N 435.355 6.166 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C2CCC2)c1 2331546298 INQCBUMHYJHCIA-UHFFFAOYSA-N 430.936 5.527 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)cc2Cl)c1 2331646650 PBPRRWWJNHONGQ-UHFFFAOYSA-N 446.974 7.306 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)CC(C)(C)C)c(Cl)c1 2331756821 VBTHSLGSXDSITP-UHFFFAOYSA-N 435.347 6.548 30 10 IKEE C[C@@H](CCCN(C)C(=O)OC(C)(C)C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339581820 NAYHUEHNQUFZSX-JJJPLKNQSA-N 446.397 5.141 30 10 IKEE CCCN[C@@H](C#CC1(SC)CCC1)c1cc(Br)sc1Br 2361283509 CAVHDNBPQIEHIP-LBPRGKRZSA-N 437.266 5.603 30 10 IKEE CN(c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CN(Cc2ccccc2)C(C)(C)C1 2365114240 UCMAGSDMYJJCRO-TVXVBNPNSA-N 447.432 5.216 30 10 IKEE CC1(C)OB(/C=C/c2ccc(NC3CC4(C3)CC(OCc3ccccc3)C4)nc2)OC1(C)C 2365115929 RIANWMRYNUOTCV-OUKQBFOZSA-N 446.400 5.666 30 10 IKEE C=CCC[C@H](C)[C@@H](NCCC)[C@@H](O)c1sc(Cl)cc1I 2366650612 PFEURTKBEMBJAF-ZLKJLUDKSA-N 427.779 5.010 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C/c1ccc(Cl)cc1Cl)C2=O 2434137 IPTDFEOIBFRHDS-UFFVCSGVSA-N 425.267 6.137 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(CC)cc2)C3)cc1OC 21255463 HZRVCPUDUCIBPF-NHCUHLMSSA-N 433.548 5.051 30 10 IKEE CCCCCCCCOc1ccc(NC2=C(N3CCCC3)C(=O)c3ccccc3C2=O)cc1 33355268 AFJNVAOZMDDRMU-UHFFFAOYSA-N 446.591 6.224 30 10 IKEE O=C(/C=C/c1ccccc1)Oc1ccc(/C=C\C(=O)c2ccc(-c3ccccc3)cc2)cc1 34954137 UEWBKIHQFPLXAN-VOKWCDJLSA-N 430.503 6.869 30 10 IKEE Cc1cc2oc(C(=O)c3c(C)c(C#N)c(=O)n([C@@H](C)c4ccccc4)c3O)c(C)c2cc1C 38623425 YVBOVAGGPJGGFM-SFHVURJKSA-N 440.499 5.246 30 10 IKEE C=CCc1ccc(OCCCCn2c(-c3ccc(Cl)cc3)nc3ccccc32)c(OC)c1 40249482 HKQPCNKBEWNGHK-UHFFFAOYSA-N 446.978 6.953 30 10 IKEE Cc1cc(C)cc(C/N=C2/NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)S2)c1 59432584 CSWRXQFXQJURTM-WSDLNYQXSA-N 447.516 5.540 30 10 IKEE CC1(C)CC(=O)C([C@H](C2=C(O)CC(C)(C)CC2=O)c2c(O)ccc3ccccc23)C(=O)C1 105561606 CHLSQRIOSNUIFC-RUZDIDTESA-N 434.532 5.405 30 10 IKEE COc1ccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2cc(C)cc(C)c2)cc1 169922620 FVLBTAIRVSOHGM-AREMUKBSSA-N 441.527 5.414 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1cccc(F)c1 169940139 PHTIHFMIIXVROE-NRFANRHFSA-N 437.854 5.271 30 10 IKEE CCCCCCCCCOc1ccc(C2=NN=C3C4CCN(CC4)[C@@H]23)cc1Br 169940373 YZZVAEQJLKYFPF-HSZRJFAPSA-N 446.433 5.831 30 10 IKEE CN(C)c1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2C2CCCCC2)cc1 169956743 IGAFVVVSGKVMCB-XMMPIXPASA-N 443.547 5.145 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccc(F)cc2)c1 169972440 NLZULJYEZASMKY-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 170057778 MFRICGIUXWEVOM-JOCHJYFZSA-N 435.882 5.824 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(Cl)cc2)cc1 170059808 UUOXPJPFRBWMTO-JOCHJYFZSA-N 439.939 5.650 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccc(C(C)C)cc2)c1 170066044 BIBMOASRPWWPNY-XMMPIXPASA-N 435.564 5.430 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cc(Cl)ccc3OC)=C(O)C(=O)N2c2ccccc2)c1 170117857 MVGHYGIJKIGMCC-QFIPXVFZSA-N 449.890 5.140 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc(OC)c2)c1 170119172 COYQPSLVGNIWEJ-XMMPIXPASA-N 449.547 5.395 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(N(C)C)cc1 170129530 VKVUHLGKIJLFOL-VWLOTQADSA-N 446.591 5.400 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(O)cc1)c1ccc2c(c1)CCCC2 170131618 MKYARKBZKSLZQY-DEOSSOPVSA-N 443.474 5.193 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccncc2)cc1 170212140 BYOOPUCUJXROOJ-HSZRJFAPSA-N 434.536 5.172 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccco2)cc1C 170286719 QZVFLAKAIPFPJO-NRFANRHFSA-N 437.879 5.423 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(OC)c(O)c1 170322625 FXFAICZPHGUYRP-XMMPIXPASA-N 445.515 5.323 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1)c1ccco1 170376864 GTHGPPFWZNVNLQ-SFHVURJKSA-N 432.234 5.508 30 10 IKEE CCCCCCCCCOc1ccc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 206810027 PXXYKWIGUPOJIR-UHFFFAOYSA-N 441.571 7.335 30 10 IKEE N#Cc1cc(Br)ccc1CNc1ccc(Br)cc1Br 311618839 LIOJRZAFSUKVDA-UHFFFAOYSA-N 444.952 5.458 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2cccc3ccccc23)[C@H]1c1ccccc1C(=O)O 526610752 PREOVOAFDXFVTG-RUZDIDTESA-N 446.462 5.467 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(Nc2ccccc2C#N)=C(Sc2ccccc2)C1=O 526656705 ANJBCPMAGZLHAJ-UHFFFAOYSA-N 445.931 5.509 30 10 IKEE Cc1ccc(COc2ccccc2/C=N\n2cnnc2SCc2ccc(C#N)cc2)cc1 526822915 OQVBDMAXJGAEES-MBTHVWNTSA-N 439.544 5.212 30 10 IKEE Cc1ccc(CN(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 586142989 NIXZFIFQGVHPNV-UHFFFAOYSA-N 432.589 5.555 30 10 IKEE C=CCCC[C@@H](NCCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 693664125 UCZXWRICBXVOON-HSZRJFAPSA-N 429.649 5.270 30 10 IKEE CCCCCCCCC[C@@H](NC)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 702451407 UJEDKRAWQNHCMJ-DNQXCXABSA-N 433.681 5.740 30 10 IKEE COc1ccccc1CNN=Cc1cc(Cl)ccc1OCc1cccc2ccccc12 1084212943 KAVOCNSOTVXFPO-UHFFFAOYSA-N 430.935 6.205 30 10 IKEE CCc1ccc(-c2csc3nc(-c4ccccc4)n(Cc4cccc(C#N)c4)c(=O)c23)cc1 1857802350 KGFDBHBMXGYGHA-UHFFFAOYSA-N 447.563 6.274 30 10 IKEE Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2/C=N\NC(=S)Nc2ccc(F)cc2)cc1 1857808383 AVBZQCHYWQVUIA-VYYCAZPPSA-N 447.514 5.446 30 10 IKEE N#Cc1cccc(C(=O)Oc2cccc3c(NC(=O)/C=C/c4cccc(F)c4)cccc23)c1 1858930580 QMNQELPWRJSFSI-BUHFOSPRSA-N 436.442 5.722 30 10 IKEE N#Cc1ccccc1NC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)c1Cl 1859382257 RRAZDFGLCORIKQ-UHFFFAOYSA-N 443.850 5.225 30 10 IKEE CCCCCCCCNC(=O)[C@H]1CCCN1C(=O)c1c(Cl)ccc(Cl)c1Cl 1861150880 WVFZAOFWEYIFLF-MRXNPFEDSA-N 433.807 5.728 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)c1cc2ccccc2[nH]1)c1ccccc1 1861390888 KIXFSFCRHWUZED-VWLOTQADSA-N 433.596 5.896 30 10 IKEE N#Cc1ccccc1NC(=O)c1cc(CCc2ccccc2)n(-c2ccccc2Cl)n1 1862327991 WISWOKMPTNKDCL-UHFFFAOYSA-N 426.907 5.435 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1cccc(OC)c1 1862385144 IRFCMSJPIOPQIA-CWTRNNRKSA-N 434.319 5.379 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2cccc(OCC)c2)cc1 1862392780 GIUXFIALLJITSL-DEOSSOPVSA-N 435.564 5.662 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccc(OC)c(OC)c2)cc1 1862397662 MWRJHGMDBHCSHF-HSZRJFAPSA-N 437.536 5.033 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(C(C)(C)C)cc1 1862420456 LSZDJKSQZRGFCL-SPLOXXLWSA-N 427.491 5.639 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(C(C)C)cc1 1862433063 UFONRADKWDUFQF-QFIPXVFZSA-N 441.955 5.467 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(N(C)C)cc2)cc1 1862478033 XPJDRWLQZJGCDO-XMMPIXPASA-N 432.564 5.362 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cc(Cl)c(O)c(OC)c1 1862485204 XRLYTRUVOHNSFO-FQEVSTJZSA-N 443.927 5.131 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2C2CCCCCCC2)c1 1862507317 IVTLAYICOAPGOO-XMMPIXPASA-N 435.539 6.134 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@@H]1c1ccccc1)c1ccc2c(c1)CCCC2 1862543556 JXADCUBRBRKYEN-AREMUKBSSA-N 443.587 6.257 30 10 IKEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 1862620370 QRCPQANOJINGIU-GAJHUEQPSA-N 449.591 5.241 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 1862620469 SJUUTDGVAIUQBS-XMMPIXPASA-N 447.619 6.660 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2Cl)cc1 1862662280 WRLYYDDEZGRRBV-HSZRJFAPSA-N 446.934 5.637 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1cccc(F)c1 1862703473 VHEIFJKCWCLBID-NZQKXSOJSA-N 439.527 5.772 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)c1 1862706343 UJCOPKWYBOJYRW-LJQANCHMSA-N 434.319 5.236 30 10 IKEE CN(C)c1ccc([C@@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2C2CC2)cc1 1862727064 WAMMFANFASADHN-RUZDIDTESA-N 438.527 5.160 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3Cl)C(=O)N(c3cccc(C#N)c3)C2=O)cc1C 1862879403 QGHPPUGRUXPRNU-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE N#Cc1cccc(N2C(=O)C(Nc3ccc(Cl)cc3)=C(c3ccccc3Cl)C2=O)c1 1863076433 NOKUDCZJSQPMJR-UHFFFAOYSA-N 434.282 5.262 30 10 IKEE N#Cc1cccc(NC2=C(c3cc(Cl)ccc3Cl)C(=O)N(Cc3ccccc3)C2=O)c1 1863387962 DFIOLMIDZMRUTG-UHFFFAOYSA-N 448.309 5.257 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H](C)CC)=C(c2cc(Cl)ccc2Cl)C1=O 1863730217 QYYITSGDGNMPDI-OAHLLOKOSA-N 425.400 5.822 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@H](C)CC)=C(c2ccc(OC)cc2OC)C1=O 1863753547 GNHYHAGWFUONFV-LJQANCHMSA-N 444.616 5.313 30 10 IKEE CCCc1nc(Nc2ccccc2C#N)cc(N2CCC(=O)c3cc(C(C)(C)C)ccc32)n1 1868398844 QNACUYDFBCBUTR-UHFFFAOYSA-N 439.563 6.066 30 10 IKEE C=CCN(CC=C)c1cc(N2C[C@@H](C)Cc3cc(OC)ccc32)nc(-c2ccccc2)n1 1869208410 PDYVBSVFHKUCBM-FQEVSTJZSA-N 426.564 5.661 30 10 IKEE CC(C)CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSCc1ccccc1 1870233896 MZGMRMSXDLLJFF-UHFFFAOYSA-N 432.589 5.778 30 10 IKEE C=CCn1cc(OCC=C(C)C)c(=O)cc1CNc1ccc(Cl)c(C(F)(F)F)c1 1871059111 SQGUZLYPWSJRHW-UHFFFAOYSA-N 426.866 5.664 30 10 IKEE C[C@H]1CCCC[C@@H]1N1COc2ccc3c(c2C1)O/C(=C\c1ccccc1OC(F)F)C3=O 1871351082 JPBYBADBXKZIGJ-QXWODUMVSA-N 441.474 5.635 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1c(F)cccc1Cl)C3=O)CN([C@@H]1CCCC[C@@H]1C)CO2 1871355955 OLVGWSOABWHPCH-MEBBOMDZSA-N 441.930 6.134 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(C(C)(C)C)cc1)C3=O)CN([C@@H]1CCCC[C@H]1C)CO2 1871356106 VMXHXVSVYWLXHI-BBAADEPVSA-N 445.603 6.639 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCCCCOc4ccccc4)cc(C)c3C2=O)cc1 1871403468 NCFUAUCMMPSQNP-UQQQWYQISA-N 430.500 5.858 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCCCCOc4cccc(C)c4)ccc3C2=O)cc1 1871405774 PTKIPFQJEHNSQL-ONUIUJJFSA-N 430.500 5.858 30 10 IKEE CCCC[C@H](Oc1ccc2c(c1C)O/C(=C\c1cn(CC)c3ccccc13)C2=O)C(=O)O 1871423466 SVUJXJMHQREEFY-MQXJPVLKSA-N 433.504 5.608 30 10 IKEE C[C@@H](NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O)c1ccccc1 1871424622 PQRNKIMALWOOOI-GEWRUKCFSA-N 433.891 5.212 30 10 IKEE C=CCN(CC=C)c1nc(=NCCC2=CCCCC2)nc(Nc2ccc(Cl)cc2C)[nH]1 1871571584 ISUAKBCDXJWCLD-UHFFFAOYSA-N 439.007 5.480 30 10 IKEE C=CCN([C@H](CCC)C(=O)Nc1ccc(Cc2ccccc2)cc1)S(=O)(=O)CCCC 1872282431 YEZNDOMBDAYYFS-XMMPIXPASA-N 442.625 5.003 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccccc1C(C)C)[C@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872460655 GJFSUDSDGKENRL-JPYJTQIMSA-N 446.588 5.179 30 10 IKEE C=C(C)CN([C@H](CC)C(=O)Nc1ccccc1CC)S(=O)(=O)c1c(C)cc(C)cc1C 1872480316 XZNNMGCOVOHGJO-HSZRJFAPSA-N 442.625 5.158 30 10 IKEE N#C[C@H](C(=O)CCc1ccc(Cl)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872759386 MZJBBZJQHYRMCI-HSZRJFAPSA-N 442.971 6.940 30 10 IKEE N#C[C@@H](C(=O)C12CC3CC(CC(C3)C1)C2)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872759602 UCWRZUOFGZLSST-VTQJSVQUSA-N 438.596 6.870 30 10 IKEE Cc1ccc(C)c(OCC(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)c1C 1872760535 QTJRUZZLZMMNJL-JOCHJYFZSA-N 430.573 5.869 30 10 IKEE N#C[C@H](C(=O)COc1cc(Cl)ccc1Cl)c1nc(-c2ccc(F)cc2F)cs1 1872767580 VYAYECCZBUVNLY-CYBMUJFWSA-N 439.270 5.650 30 10 IKEE N#C[C@H](C(=O)Cc1ccccc1F)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872780078 ZEKQTWRUMVIRNA-OAQYLSRUSA-N 428.488 6.160 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H]2CCCC[C@@H]2C)=C(c2c(C)cc(C)cc2C)C1=O 1873121512 GEVITLDMEPMFKD-REWPJTCUSA-N 438.656 6.221 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(OC)cc2C)cc2c(NCc3ccc(C)cc3)ncnc21 1873641740 KDOPKLDHDSZJQI-UHFFFAOYSA-N 441.535 5.107 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(Cl)cc1)n2Cc1ccco1 1873663146 VVBDQMKQYFRZDD-UHFFFAOYSA-N 447.926 5.157 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C(C)(C)C)cc2)cc2c(N3C[C@@H](C)C[C@@H](C)C3)ncnc21 1873666839 WRQWQZKSQKQLBV-KDURUIRLSA-N 445.611 5.649 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1ccccc1C 1874207271 GKOCARWJMZVVAY-YDZHTSKRSA-N 441.398 5.490 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1cccc2ccccc12 1874330460 SUFAIXWPQAMWPZ-OGLMXYFKSA-N 440.616 6.384 30 10 IKEE C=C(C)CSc1nnc(CCOc2ccccc2)n1/N=C/c1ccc(Cl)cc1Cl 1874346371 LUSONYXWIMPOKT-ZMOGYAJESA-N 447.391 5.757 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccc(F)cc2)cc1C 1874357158 SSXJGTVASNVNEF-RWPZCVJISA-N 448.542 5.938 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)cc3)n2/N=C/c2cccc(F)c2)cc1 1874386477 RITBXXHNMDHJEQ-JVWAILMASA-N 430.552 5.799 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(Cc3cccs3)nnc2SC)cc1OCC 1874411497 WXKZEGUATXXSRY-XQNSMLJCSA-N 444.626 5.502 30 10 IKEE CCCOc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCc2ccccc2)cc1 1874412387 LWOYCADVHAQSBK-KOEQRZSOSA-N 448.617 5.894 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2-c2ccccc2)cc1 1874430614 QQKCOOPRZQBCHT-WGOQTCKBSA-N 448.979 6.172 30 10 IKEE COC(=O)c1ccc(CSc2nnc(CC(C)(C)C)n2/N=C/c2ccc(Cl)cc2)o1 1874438096 KAXCBDDBNSZAHG-FSJBWODESA-N 446.960 5.074 30 10 IKEE Cc1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2cccc3ccccc23)cc1 1874451908 UOKOLTFCECLLJO-WPWMEQJKSA-N 426.589 6.572 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CCCC2)cc1O 1874456181 FHJFWYLWSBPPCS-ZMOGYAJESA-N 442.972 5.478 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCc3cccc4ccccc34)nnc2C(F)(F)F)c1 1874461699 BEYONIFEJGIXDU-RPPGKUMJSA-N 442.466 5.639 30 10 IKEE CCCCc1nnc(SCCC)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874479006 CYQLOPILNHOONN-PCLIKHOPSA-N 443.016 6.237 30 10 IKEE COc1cc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C2CCC2)ccc1O 1874498290 AHCZXAFOWRWOMV-BHGWPJFGSA-N 446.935 5.227 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCC(=O)Nc3ccc(F)cc3)nnc2C2CC2)cc1 1874516360 TXLUUKSMRAEHKR-DHRITJCHSA-N 437.544 5.031 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccccc1OCC(=O)Nc1cccc(C)c1C 1874586055 TWPSZKHHYOVWFV-BUHFOSPRSA-N 443.543 5.842 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(C)c(C)c2)o1 1874588061 RXSCTDLNGZXQSD-JXMROGBWSA-N 438.907 6.202 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCc3ccccc3C)ccc3ccccc23)cc1Cl 1874590463 BVEALOJJJCVSNS-BUHFOSPRSA-N 442.942 7.285 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OCC(=O)Nc1cccc(C)c1 1874600639 VWCKBCJGGISBFM-PKNBQFBNSA-N 443.543 5.842 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(Cl)c1OCc1ccccc1 1874603923 MIJIUJWJRNOKPD-NTCAYCPXSA-N 446.974 7.093 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(C)cc1 1874613183 HJLNLWAVBAIITR-XYOKQWHBSA-N 435.907 5.571 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)NC3CCCCC3)c(Cl)c2)cc1 1874613705 IVPCLUSUEFEKMW-RIYZIHGNSA-N 441.955 5.463 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc4c(c3)OCO4)c2)cc1 1874696011 DMWNAZULKSJSMX-GXDHUFHOSA-N 428.484 5.873 30 10 IKEE CCc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3cc(C)ccc3OC)ccc2OC)cc1 1874704448 PIDUGLNAKBLCFO-UKTHLTGXSA-N 430.500 5.690 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cc4ccccc4n3C)c2)c(C)c1C 1874711722 GTXVMTCQCJTRNC-WYMLVPIESA-N 439.511 5.919 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OC(=O)CC(C)(C)C 1875085035 LZVFVHVMGKLTRP-CMDGGOBGSA-N 431.872 5.495 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(C)c(C)c3)cc2)cc1OC 1875098709 IPRDSBRWQCAUQU-MDWZMJQESA-N 446.499 5.201 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)CC1CCCCC1 1875099284 ZUOIIMFDPCLCJL-RVDMUPIBSA-N 432.560 6.346 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)[C@H]3CCCO3)c(OC)c2)cc1 1875107064 YNLVLXYPPYYBBS-YDYPUGOESA-N 438.520 5.027 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)COCc2ccccc2)c(Cl)c1 1875118909 VAEIUJRFFKHUFM-ACCUITESSA-N 436.891 5.367 30 10 IKEE CCCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccccc2OC)cc1OC 1875119309 NUTQFLUSHPIVKI-ZHACJKMWSA-N 433.298 5.068 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@@H](Cc2ccccc2)c2ccccc2)cc1)c1ccccc1 1875127376 AZGGVWANDOYOEK-XGLNBYONSA-N 432.519 6.515 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3C)c(OCC)c2)cc1 1875130292 DSTGXWNLOZXBCY-MHWRWJLKSA-N 430.500 5.908 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)[C@H](C)c1ccccc1 1875133220 KPRBSLOHVFQAJI-LBKOFNPBSA-N 430.500 5.617 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1Cl 1875133353 QPRQNCOHRFBSGQ-UKTHLTGXSA-N 436.891 5.781 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)c3ccccc3)c([N+](=O)[O-])c2)ccc1F 1875142079 KLVMGNJPHJVKAC-FWVUHSSSSA-N 433.435 5.648 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)[C@H]1CCCO1 1875174852 MFIKLCZLTPOPRP-ZQAUEJBPSA-N 428.912 5.336 30 10 IKEE Cc1cc(CC(=O)Oc2ccc(/C=C/C(=O)c3cc(Cl)ccc3Cl)cc2)ccc1F 1875191495 OWLCSDAZJZLCLN-VZUCSPMQSA-N 443.301 6.485 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccco3)c([N+](=O)[O-])c2)c2ccccc12 1875192509 PIBBYGNGIYINAL-DHZHZOJOSA-N 443.411 5.465 30 10 IKEE CC(C)C[C@@H](ON=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(=O)O 1875592250 LISBNQJUUAGZKM-AREMUKBSSA-N 447.531 5.694 30 10 IKEE Cc1cc(Nc2ccc(NC(=O)c3cc(C#N)ccc3F)cc2)nc(NC2CCCCC2)n1 1891867147 QESUJFUNTAGSKX-UHFFFAOYSA-N 444.514 5.536 30 10 IKEE O=C(Nc1ccc(C(F)(F)F)c(F)c1)c1cccc(Oc2ccc(C(F)(F)F)cc2)c1 1892412676 VKTIFLKUBPKFNQ-UHFFFAOYSA-N 443.318 6.908 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](C)c1ccc(NC(=O)OC(C)(C)C)cc1 1922081484 XUANOXLLUDZVSU-PXDATVDWSA-N 438.612 6.278 30 10 IKEE C=C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)([C@@H](CCC)C(=O)O)C(C)(C)C 1927519815 HKVVKEQIYVDQLT-HOFKKMOUSA-N 435.564 5.997 30 10 IKEE C=C[C@@](CCC)(NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(C)C)C(=O)O 1927538763 HWPBTIVSCQAFGT-IGKIAQTJSA-N 435.564 5.997 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)C[C@@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1929950110 PSJGLRULVXUBJB-CEYNDMKZSA-N 443.588 5.351 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 1944697682 LASCUBRMEUVOOM-UYAOXDASSA-N 435.609 5.486 30 10 IKEE CC#CCCC[C@@H](NCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2018320864 NARKQUHCMKJWLQ-ZEQKJWHPSA-N 428.617 5.002 30 10 IKEE Cc1nc(S[C@H](C)C(=O)C=C2N(C)c3ccccc3C2(C)C)n(C[C@@H]2CCCO2)c1C 2040489799 HFMWTEOTWVTYJJ-MOPGFXCFSA-N 439.625 5.040 30 10 IKEE CC[C@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(C)cc2)CN1C(=O)OC(C)(C)C 2040670589 JSUUVENMPKMIFH-UQBPGWFLSA-N 443.588 5.808 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CN(C(=O)OC(C)(C)C)C12CCCC2 2072185836 QQFUGKCSRUAOOM-VWLOTQADSA-N 441.572 5.562 30 10 IKEE CC1(C)OB([C@]23C[C@@H]2CCN(C(=O)c2cscc2OCc2ccccc2)C3)OC1(C)C 2073753689 DUQGZSWWSQFBTF-UUOWRZLLSA-N 439.386 5.026 30 10 IKEE CC(C)Oc1ccc([C@@H](C2CC2)n2nc(C3CCC3)c(C=NO)c2Br)cc1 2080125710 JOSMZRSEGNDKHQ-HXUWFJFHSA-N 432.362 5.508 30 10 IKEE CC(C)(C)n1nc(C(F)(F)F)c(-c2cc(F)ccc2C(F)(F)F)c1Br 2080824360 MCZJFCWAZPDQRN-UHFFFAOYSA-N 433.165 6.244 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 2082160776 JRKVIFASZHRVQQ-OSWQYVSFSA-N 443.588 5.712 30 10 IKEE N#Cc1cccc(CNc2cc(Br)c(Br)c(Br)c2)c1 2095447286 HHZNFZXQPDOMCN-UHFFFAOYSA-N 444.952 5.458 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C#N)(Cc1ccc(Cl)c(Br)c1)C2 2110482915 ZGPVISLIRSAOQK-GJZGRUSLSA-N 439.781 5.717 30 10 IKEE C#C[C@H](NC(=O)c1ccc(Br)cc1NC(=O)OC(C)(C)C)C1CCCCC1 2203791321 HWHWKRHLUKJKIF-KRWDZBQOSA-N 435.362 5.108 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@H](C#N)c1c(F)ccc(Br)c1F 2231248028 CQHFRUDLRHATCC-HNNXBMFYSA-N 429.305 5.862 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)c1ccccc1NC(=O)OC(C)(C)C 2235719914 OHORCTSBWYQXLX-IBGZPJMESA-N 429.358 5.498 30 10 IKEE C=C(CC)C[C@H](NCCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237401324 WGHRMOKSPNBRSZ-PMACEKPBSA-N 439.438 5.609 30 10 IKEE CCCCCCCCC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237411958 ITZWWIJFHMYDOL-IBGZPJMESA-N 440.422 6.205 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@@H]2CCCC[C@H]2N(C(=O)OC(C)(C)C)C1 2246639782 ZQZYYXNNGMTXAK-GLDPYIMESA-N 435.609 5.341 30 10 IKEE CN1[C@H](c2ccccc2)C[C@H](N=Cc2ccccc2)[C@@H](c2ccccc2)[C@H]1c1ccccc1 2295099884 VOXJOUOUCQMCPD-SYQUUIDJSA-N 430.595 7.076 30 10 IKEE CCCCCCCCOc1ccc(C=C2SC(=S)N([C@H](C(=O)O)C(C)C)C2=O)cc1 2296012216 HYOUVEWJVPDQFE-FQEVSTJZSA-N 449.638 5.736 30 10 IKEE O=C(C=Cc1ccc(Cl)cc1)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 2314429656 LNQQQICVBFVUND-UHFFFAOYSA-N 441.708 6.218 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2)Oc2cc(OCc3ccc(Br)cc3)ccc21 2314438624 ZJEQXXFXEKCJIJ-UHFFFAOYSA-N 441.708 6.298 30 10 IKEE COc1ccc(N=C2NC(=O)SC2=Cc2ccc(-c3c(Cl)cccc3Cl)o2)cc1 2314482319 HLEXHDRWPXTOFQ-UHFFFAOYSA-N 445.327 6.790 30 10 IKEE CC(=Cc1ccccc1)C=C1SC(=Nc2cccnc2Cl)N(C2CCCCC2)C1=O 2314540441 QBLZUOUUZBQXBP-UHFFFAOYSA-N 437.996 6.618 30 10 IKEE COc1ccc(C(C)=C2SC(=Nc3nnc(C)s3)N(C3CCCCC3)C2=O)cc1 2314546976 ANKYNEYKJQRDLD-UHFFFAOYSA-N 428.583 5.182 30 10 IKEE CCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1N=Cc1ccc(C(C)(C)C)cc1 2321059144 KNZBTXBHTVXLTP-UHFFFAOYSA-N 449.624 5.368 30 10 IKEE CCSc1nncn1N=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 2321270207 DERAGKYYVGFSPW-UHFFFAOYSA-N 437.352 5.167 30 10 IKEE COc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCc2ccc(F)cc2)C4)cc1 2321936954 PSDJZGXMZYVQEF-UHFFFAOYSA-N 445.490 5.154 30 10 IKEE CC(C)OCCN1COc2ccc3c(c2C1)OC(=Cc1ccc(Cl)cc1Cl)C3=O 2321998554 ZKHVPNDXJYMLNO-UHFFFAOYSA-N 434.319 5.187 30 10 IKEE COc1ccc(OC)c(C=C2Oc3c(ccc4c3CN([C@@H](C)c3ccccc3)CO4)C2=O)c1 2322092193 PGMVDLGNHQLMIU-KRWDZBQOSA-N 443.499 5.233 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(C(C)C)cc1)C3=O)CN(Cc1cccnc1)CO2 2322312108 SEASOTYNSBXLCE-UHFFFAOYSA-N 426.516 5.482 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccccc2Cl)cc1 2322399235 SBEGJTYHUWZMLS-UHFFFAOYSA-N 439.382 7.811 30 10 IKEE CC1(C)OB(c2cccc(OCc3sc(Cl)cc3Br)c2)OC1(C)C 2322422483 XARXJMXCBJOLKM-UHFFFAOYSA-N 429.572 5.042 30 10 IKEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1 2322474872 SRZHLEZGNZZWCJ-UHFFFAOYSA-N 436.851 5.162 30 10 IKEE COc1cccc(C=CC(=O)c2cccc3ccccc23)c1OCc1cccc2ccccc12 2322724733 LQBSYQYVJDMKMJ-UHFFFAOYSA-N 444.530 7.477 30 10 IKEE COc1cccc(C=CC(=O)c2cccc3ccccc23)c1OCC(=O)Nc1ccccc1 2322724847 AXKIUVXJMXHJJH-UHFFFAOYSA-N 437.495 5.762 30 10 IKEE CCOc1ccc(CCC(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2)C3=O)cc1OC 2323098191 RFKPXEBMIYPCNV-UHFFFAOYSA-N 444.483 5.248 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)c1 2323802738 HDTZLDDIBCSYTO-UHFFFAOYSA-N 442.511 6.353 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(Cl)c(OCc2ccccc2F)c(OC)c1 2323986013 CBINYDJKDAEKPR-UHFFFAOYSA-N 440.898 6.280 30 10 IKEE COc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1ccccc1C)C2=O 2324472506 PTZUUGLPIBRXQD-QGZVFWFLSA-N 429.472 5.026 30 10 IKEE CCOc1ccccc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc(C)cc1)C2=O 2324895226 FGGBRUNXULUZCZ-UHFFFAOYSA-N 443.499 5.336 30 10 IKEE Cc1c(OCC(=O)N[C@H](C)c2ccccc2)ccc2c1OC(=Cc1ccc(Cl)cc1)C2=O 2325019973 WIIYQZXUEQRJLS-QGZVFWFLSA-N 447.918 5.521 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OCC(=O)Nc4cccc(Cl)c4C)c3C)C2=O)c1 2325055312 JQLVSJIRTZRDPC-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE O=C1C(=Cc2c(F)cccc2Cl)Oc2cc(OCc3nc(O)c4ccccc4n3)ccc21 2325200942 VTWYYRQTHAQKSG-UHFFFAOYSA-N 448.837 5.323 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1OC(=O)c1ccccc1F 2325736739 ONWCDXXBPVKOSM-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2ccc(C)cc2)cc1OC(=O)CC(C)C 2325738015 MZTUWKJKEWQMAK-UHFFFAOYSA-N 431.326 5.614 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2C)C3=O)cc1C 2325738898 NYZJVHBWCNCTKB-UHFFFAOYSA-N 427.500 5.554 30 10 IKEE Cc1cc(CC(=O)Oc2cccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)c2)ccc1F 2325756729 SZXQBEIIYSCHHM-UHFFFAOYSA-N 430.519 6.412 30 10 IKEE CCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1cn(C)c2ccccc12 2326326502 ZLDKWRVWIAGSAK-UHFFFAOYSA-N 431.609 5.804 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(OC(C)=O)cc1 2326570362 IXGMAYAFZVARQS-UHFFFAOYSA-N 446.935 5.123 30 10 IKEE C(=Nn1c(Cc2cccc3ccccc23)nnc1SCc1ccccc1)c1ccccn1 2327749699 LRCCHNGSBOUVTC-UHFFFAOYSA-N 435.556 5.592 30 10 IKEE C=CCOc1ccccc1C=Nn1c(COc2ccc(C)cc2C)nnc1SCC=C 2328919100 JCSSNIQXOQKMKE-UHFFFAOYSA-N 434.565 5.199 30 10 IKEE CCCCCOc1ccc(C=Nn2c(Cc3ccc(C)c(C)c3)nnc2SCC)cc1 2329413890 HSXIBVGFMBAJQC-UHFFFAOYSA-N 436.625 6.049 30 10 IKEE C=CCSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1ccc(N(CC)CC)cc1 2329438633 JBAWWCDTAGWFDR-UHFFFAOYSA-N 433.625 5.492 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2)n1N=Cc1cccc([N+](=O)[O-])c1 2330104808 AGSUJHHDNRBPAP-SFHVURJKSA-N 443.532 5.513 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2)n1N=Cc1c(OC)ccc2ccccc12 2330193816 FDNDUWGCBKPVHB-UHFFFAOYSA-N 442.588 5.776 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(-c2cccs2)n1N=Cc1ccccn1 2330620602 YZKAVECSDGQXTI-UHFFFAOYSA-N 429.933 5.369 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccccc3)n2N=Cc2ccc(C(C)C)cc2)c1 2330645734 RSKVINUOYOTMBC-UHFFFAOYSA-N 426.589 6.551 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(OC)c1OC(=O)c1cccs1 2330657781 TWIJGYULEZOUNT-UHFFFAOYSA-N 444.508 6.034 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3ccc(C)cc3)cc2)cc1 2330740683 DXJKCDYBPUHCEC-UHFFFAOYSA-N 428.528 6.218 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccc(OC)cc3)cc2)cc1 2330825723 UZQNSMMCEWKXMI-UHFFFAOYSA-N 442.555 6.472 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C(F)(F)F)c(Cl)c1)c1ccc(Br)cc1 2330886797 FPGDEAFZIYLTBN-UHFFFAOYSA-N 433.607 5.466 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc(F)c(F)c1F 2330950635 MRYKRVWCBBSVTR-UHFFFAOYSA-N 446.808 5.881 30 10 IKEE Clc1ccc(CSc2nnc([C@@H]3CCCO3)n2N=Cc2ccccn2)c(Cl)c1 2330999203 QFSHFLJNZIVYMM-KRWDZBQOSA-N 434.352 5.006 30 10 IKEE Clc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CCCC2)cc1 2331085533 XZGPMVIHUZFNOH-UHFFFAOYSA-N 447.007 6.917 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(C)c(C)c1 2331154565 HZQFJVYVQFPJSK-UHFFFAOYSA-N 434.919 6.471 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)CCCOc3c(C)cccc3C)cc2)c1 2331316085 PZVOJDDMHWYLSD-UHFFFAOYSA-N 442.555 6.581 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC(=O)[C@@H](C)c1ccccc1 2331373219 NQXUISSYCWEOEX-FQEVSTJZSA-N 444.527 6.008 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)C3CCC3)c(Br)c2)cc1 2331417002 XVNJIXNXJZZHHH-UHFFFAOYSA-N 441.365 6.348 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1ccc(N(C)C)cc1 2331509837 IBFUDUATKSKDSN-UHFFFAOYSA-N 443.543 6.000 30 10 IKEE C=C(C)CSc1nnc(C2CCC2)n1N=Cc1ccc(OCc2ccc(C)cc2)cc1 2331521342 TYJAJFKRXUVSTM-UHFFFAOYSA-N 432.593 5.983 30 10 IKEE CC(C)CC(=O)Oc1ccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1Cl 2331594871 LNHZIJSMAJFSOG-UHFFFAOYSA-N 434.919 6.980 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)ccc1OC(=O)C(F)(F)F 2331597598 QENHWYCRUQPCJD-UHFFFAOYSA-N 442.389 5.851 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(SCCc2ccccc2)nnc1C(C)C 2331703432 GQWZIYNUTUEFAW-UHFFFAOYSA-N 430.577 5.780 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3Br)cc2)cc1C 2331704729 ZNCHISMNAYIIBR-UHFFFAOYSA-N 435.317 6.181 30 10 IKEE CCc1ccc(C(=O)Oc2c(OC)cc(C=CC(=O)c3ccc(C)c(C)c3)cc2OC)cc1 2331705699 ZKHLVNUMNVHWGU-UHFFFAOYSA-N 444.527 5.998 30 10 IKEE CC[C@H](N[C@H]1CCCCN(Cc2ccccc2)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363835816 HQPQSWPMULZEPV-UIOOFZCWSA-N 448.460 5.081 30 10 IKEE C=CCN(CC[C@H](NCCC)c1cc(Br)ccc1OC)C(=O)OC(C)(C)C 2364627693 ZJVWEACUOHVOLZ-SFHVURJKSA-N 441.410 5.312 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccc(Br)cc2C#N)[C@H]1C(F)(F)F 2370063726 IUUFSTOMKVORCU-CABCVRRESA-N 448.283 5.063 30 10 IKEE CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N/c1ccc2sc(C)nc2c1 3021839 WBICKEASKIFVFD-WDIQAHRZSA-N 438.603 5.599 30 10 IKEE C=CCOc1ccccc1CN1CCC(n2nccc2NC(=O)Nc2cccc(F)c2)CC1 12467939 KAPBLNLONDLUIE-UHFFFAOYSA-N 449.530 5.068 30 10 IKEE CCOc1ccc(-n2c(SCCCC#N)nnc2-c2ccc(Br)cc2)cc1 21128241 MTKFYQFYVDCJAU-UHFFFAOYSA-N 443.370 5.491 30 10 IKEE CC(C)COc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(C(C)(C)C)cc2)C3)cc1 21256037 FWQHCRIZJBHFTG-QPPBQGQZSA-N 445.603 6.023 30 10 IKEE CC(C)c1ccc(N/C(=N/C(=O)c2ccc(F)cc2)NCCc2c[nH]c3ccccc23)cc1 32943367 JKEMKXREMUPQQP-UHFFFAOYSA-N 442.538 5.871 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O)c1ccc(Br)cc1 33812381 JZNAHUSXZRDKKR-WQRHYEAKSA-N 427.275 5.346 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)N(c1ccccc1)c1ccccc1 34955761 NYJMLYGSXFZKQT-HTXNQAPBSA-N 449.506 6.928 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1ccc(F)cc1 40093537 DTITXSBXQIZLNO-JOCHJYFZSA-N 425.500 5.300 30 10 IKEE CCCCCCCOc1ccc(CNCc2ccccc2C)c(OCCCCCCC)c1 100043839 FHTJKTJVPGUUQF-UHFFFAOYSA-N 439.684 7.983 30 10 IKEE CCCCCCCOc1ccc(NCC(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)cc1 100077428 FVQHFISUEIELGD-VWLOTQADSA-N 440.584 5.644 30 10 IKEE CCCCCCCCCCCCCCCCCCOC(=S)NC1=CCS(=O)(=O)C1 100851491 FHRFXMCVJJLYLZ-UHFFFAOYSA-N 445.735 6.451 30 10 IKEE CCCCCCCCn1c(CCCNC(=O)Cc2ccc(OC)cc2)nc2ccccc21 102157162 UVMDXGJKCFJRGU-UHFFFAOYSA-N 435.612 5.697 30 10 IKEE CCCOc1ccc(C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2nc3ccccc3o2)cc1 102859810 PDQSCKRBPKFUEK-PGMHBOJBSA-N 428.444 5.948 30 10 IKEE CCCCCCCC[C@](C#C[C@H](O)c1ccc(C)cc1)(OCC)n1nnc2ccccc21 102996990 KUQQPHCCYAFVIZ-RRPNLBNLSA-N 433.596 5.917 30 10 IKEE CCCCCCCC[C@@H](NCCC)c1cc(Br)sc1Br 115856868 UVPKWWBCSYTSEF-CQSZACIVSA-N 425.274 7.064 30 10 IKEE C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1C/C(=C/c1cccc(Cl)c1Cl)C2=O 118919579 ANTLLZHQDMIOLB-SXWHYOHNSA-N 447.446 6.959 30 10 IKEE CCCN1C(=S)N[C@@H](c2c(OC)ccc3ccccc23)C(C(=O)c2ccccc2)=C1C 169928662 KLXOGYKIYUFXDA-XMMPIXPASA-N 430.573 5.647 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(C)cc2)=C(O)C(=O)N1c1ccc(C)c(C)c1 169943215 XQXAENXVAQYTBG-XMMPIXPASA-N 427.500 5.403 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(C)c1 169967213 OXBCRXWYYDYSLN-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(OC(C)C)cc2)cc1C 169979251 FXAPEPDGHKFCSO-DEOSSOPVSA-N 433.548 5.612 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccccn2)cc1C 169998924 YSBCSSBXITXWNH-NRFANRHFSA-N 441.512 5.091 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@H]2c2ccco2)cc1 170092488 NRORUBHVWVJRPR-FQEVSTJZSA-N 425.843 5.417 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cc(C)c(OC)cc3C)=C(O)C(=O)N2c2ccccc2)c1 170118201 CFGLGMHTYXZDEK-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2cccs2)c1 170156067 ZTUBLBSCWWRJFF-HSZRJFAPSA-N 447.556 5.937 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@H]1c1cccs1 170159014 PCPVARSTIFOWTO-NRFANRHFSA-N 437.492 5.296 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2CCC)cc1 170216248 HERNRPXNXJIPEI-QFIPXVFZSA-N 441.499 5.002 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@@H]1c1cccc2ccccc12 170221013 MOFRAOFMGBSDFU-QHCPKHFHSA-N 449.934 5.880 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2)cc1 170221796 SXTFFXDGZXMONO-JOCHJYFZSA-N 433.529 5.315 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2ccccc2)cc1 170229553 WHKBZPWNPJQVLQ-JOCHJYFZSA-N 435.426 5.146 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccc2F)cc1 170247911 JNQCEZVOBXODFO-HSZRJFAPSA-N 449.453 5.537 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@@H]1c1ccccc1F 170252553 MRCUKNMUIKMUDQ-QHCPKHFHSA-N 439.527 5.645 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2c[nH]c3ccccc23)cc1 170256492 QKZFYZSKPXSCAC-DEOSSOPVSA-N 444.531 5.478 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCOC(C)C)cc1 170265229 ZDLQPELMDNBKEN-VWLOTQADSA-N 443.543 5.406 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C(C)(C)C)ccc3C)[C@@H]2c2ccco2)c1 170278830 IDFYPBNFDQSPLP-QHCPKHFHSA-N 445.515 5.677 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccco1 170279902 QBBWRCDELGUKLD-SFHVURJKSA-N 443.908 5.090 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@H]2c2ccco2)c1 170283091 LMMCUHXNTSPUQU-HSZRJFAPSA-N 431.488 5.467 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(C)o2)cc1Cl 170299658 DHDWCYVNKKZBCU-FQEVSTJZSA-N 441.842 5.172 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@@H]1c1c(C)[nH]c2ccccc12 170312064 AJFPBXXRDYZABX-DEOSSOPVSA-N 446.547 5.480 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2sccc2C)cc1 170315315 ASFVVFOKWYKPCC-OPAMFIHVSA-N 445.540 5.471 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(N(C)C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 170466854 PXAPFCFKXRMIBL-XMMPIXPASA-N 434.580 5.565 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc(CC(=O)O)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 170469117 IDYDFGSROGDHFG-QFIPXVFZSA-N 449.547 5.126 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)CC23CC4CC(CC(C4)C2)C3)nc2c(C)cccc12 170536795 TXDWEDSCWWSOGB-UHFFFAOYSA-N 439.563 5.454 30 10 IKEE Cc1cccc2sc(NC(=NCc3ccccc3)Nc3nc4c(C)cccc4s3)nc12 195987272 NCWCVRHGFNLIID-UHFFFAOYSA-N 443.601 6.603 30 10 IKEE CCOc1ccc(N=Cc2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1 252604384 FZFSZHXVPDKCMF-PMERELPUSA-N 445.566 7.192 30 10 IKEE Cc1c2occ(-c3ccccc3)c2cc2c(-c3ccccc3)cc(=NN=C3CCCCC3)oc12 254560433 UIAKBIWGRRGZSB-UHFFFAOYSA-N 446.550 8.042 30 10 IKEE CCCCN1C(=O)/C(=C2\Sc3ccccc3N2CC)SC1=Nc1ccccc1OC 254594398 DKCQYUSNMOSDKC-QLMUGPIMSA-N 439.606 5.860 30 10 IKEE COc1ccc(-c2csc(N(N=Cc3ccc(F)cc3)c3ccccc3)n2)cc1OC 254620595 UALKZGMNLYCEEH-UHFFFAOYSA-N 433.508 6.139 30 10 IKEE C=CCc1cc(C=Nc2ccc(OC)cc2)ccc1OCc1ccc(Br)cc1 254744759 ABGATVBUTHVATL-UHFFFAOYSA-N 436.349 6.516 30 10 IKEE CCc1nc2sc3c(c2c(=O)n1N=Cc1c2ccccc2cc2ccccc12)CCCC3 254827065 VQDVPEUZVOLXPV-UHFFFAOYSA-N 437.568 6.088 30 10 IKEE COc1ccc(-c2cc(C(C)=NOCc3ccc(C#N)cc3)c(C)n2-c2cccc(C)c2)cc1 254835109 UOGCMUXRJULHDZ-UHFFFAOYSA-N 449.554 6.582 30 10 IKEE C=C(CC[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@H]3CC[C@@]12C 257445887 ILQUAQTXYDCHSY-UFTLIIQYSA-N 442.728 7.546 30 10 IKEE O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ccc(Br)c(C(F)(F)F)c1 327535013 UFTXSBWZQRRWOG-UHFFFAOYSA-N 430.117 5.878 30 10 IKEE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@@H]1c1cccc(C)c1 526491535 PNYOBSRYZOQLOA-XMMPIXPASA-N 440.499 5.331 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526606529 LVCPKHOZBPPKOD-DEOSSOPVSA-N 442.946 6.566 30 10 IKEE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccccc2C#N)[C@H]1c1cccc(C)c1 526609271 OCZKHCRNRIZTOU-DEOSSOPVSA-N 440.499 5.331 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1/N=C\c1cc(Cl)c(O)c(OC)c1 526800345 PTCNWVLZLDPTKW-QRVIBDJDSA-N 430.961 5.163 30 10 IKEE CCCCCCOc1ccc(/C=N\n2cnnc2SCc2ccccc2F)cc1OC 526803022 RHIKWWDAXOPETO-YSMPRRRNSA-N 442.560 5.559 30 10 IKEE COc1ccc(/C=N\n2c(C)nnc2SCc2ccc(Cl)c(Cl)c2)cc1OC 526814244 IIGFYLKYMIOMRH-YVNNLAQVSA-N 437.352 5.085 30 10 IKEE C=C(C)CN(C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 586176276 YNAMRPJAYMBHTB-UHFFFAOYSA-N 437.561 5.060 30 10 IKEE N#Cc1ccccc1NC(=O)c1cccc(NC(=O)NC2CCCCCCCCCCC2)c1 586625764 MAZNKVKZVAGORA-UHFFFAOYSA-N 446.595 6.605 30 10 IKEE Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C\c1ccc(F)cc1Cl 606443839 PUBOUOMYFKEKMT-WQLSENKSSA-N 436.313 7.552 30 10 IKEE Cc1nc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)sc1Br 719322464 QRHWDNOTROJXSY-CYBMUJFWSA-N 442.766 5.874 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCC[C@H](NC(=O)OC(C)(C)C)C2)c1 724025788 FIALLPDXEVPKFZ-XDHUDOTRSA-N 445.560 5.166 30 10 IKEE C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)CCC[C@](C)(O)CO)CC[C@@]23C)C[C@@H](O)C[C@@H]1O 725412708 BRKISPKRHSKJQO-ROKZSQQMSA-N 446.672 5.067 30 10 IKEE C=CCN(CCc1ccccc1)CC(=O)Nc1nc(-c2ccc(Cl)cc2)c(C)s1 1652403093 DMSHPKRUHZLOQI-UHFFFAOYSA-N 425.985 5.441 30 10 IKEE CCOc1ccc(/C=C2\SC(=Nc3cccnc3Cl)N(C3CCCCC3)C2=O)cc1 1772733062 JNQVHFCGGXTCSI-OIYMOPNQSA-N 441.984 6.070 30 10 IKEE COc1ccc(C=NN=C2S/C(=C/C=C\c3ccccc3)C(=O)N2Cc2ccco2)cc1 1772757809 KUPJGBXNIUANKL-WHLPMIRVSA-N 443.528 5.351 30 10 IKEE CCCCCCCCCCN1C(=O)/C(=C\c2cccc(Cl)c2Cl)SC1=S 1858587042 YWXXSMYISPMIQD-SAPNQHFASA-N 430.466 7.335 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CC(C)C)NC(=O)c1ccccc1Br 1861024705 BGXYIUHOHLNGDT-LJQANCHMSA-N 425.411 5.070 30 10 IKEE CCCOc1ccc(-c2nc3ccc(C(=O)Nc4ccccc4C#N)cc3[nH]2)cc1OCC 1861860047 ILULEVZRFPLECC-UHFFFAOYSA-N 440.503 5.541 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(F)cc2)cc1 1862390665 JHPDZPRVNQVCKL-VWLOTQADSA-N 449.566 6.469 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2ccc(F)cc2)cc1C 1862402421 YCFGSITUXRQFDQ-XMMPIXPASA-N 445.490 5.230 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2ccncc2)cc1 1862415191 RGWXCRMFRLAVIV-QHCPKHFHSA-N 448.469 5.262 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccc(F)cc1F)c1ccc(F)cc1F 1862417596 VFAMUDPWCFXUQH-NRFANRHFSA-N 447.428 5.544 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc2ccccc12 1862435047 MWGFWNUTVZJXHN-QHCPKHFHSA-N 433.935 6.118 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1cc(Cl)cc(Cl)c1 1862467327 NLIMHDLDRAIUQV-QGZVFWFLSA-N 442.220 5.175 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCOc2ccccc2)cc1 1862474748 UBBJIHKDBJMYSD-RUZDIDTESA-N 441.527 5.215 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1Cl 1862482459 NTJCQCBWWILHPX-HXUWFJFHSA-N 432.347 6.070 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(Br)cc1 1862488421 ZLBQRWPTJKOYOM-HXUWFJFHSA-N 442.353 5.526 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccc(Cl)cc2)c1 1862488748 HRIMUECMRKGRJP-JOCHJYFZSA-N 441.955 5.350 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2cccc(Cl)c2)c1 1862489343 AFHAKOWNTBCYPO-XMMPIXPASA-N 445.946 6.044 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862497306 GVQQDFWXTDMLNK-JLTOFOAXSA-N 442.899 5.242 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(Br)c3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862524879 POQSVQMXHYXODY-VBKZILBWSA-N 442.353 5.388 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1Cc1ccccc1 1862543953 SGVJWTKUDIRBNV-SANMLTNESA-N 437.539 5.652 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(N)c2)=C(O)C(=O)N1Cc1ccccc1Cl 1862555106 RWYAXOVBLUWKQJ-JOCHJYFZSA-N 432.907 5.009 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(F)cc2F)cc1 1862618467 UWOSXWROFYTFQB-QFIPXVFZSA-N 439.502 5.783 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1F 1862642977 JZQPPJIZLYTIKD-SFHVURJKSA-N 438.282 5.128 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(C(=O)OC)cc1 1862653364 RDSBTDOKRLSEIZ-QHCPKHFHSA-N 443.499 5.005 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(Cl)c(Cl)c1 1862706219 QMWUQHDQOJFDDC-HXUWFJFHSA-N 448.346 5.771 30 10 IKEE N#Cc1ccccc1NC1=C(c2cccc3ccccc23)C(=O)N(c2ccccc2F)C1=O 1862841882 LFVWABQSEVRYAT-UHFFFAOYSA-N 433.442 5.247 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(CC)cc2)=C(c2ccc(Cl)cc2)C1=O 1863167768 FDUNMTBNUAMFLK-UHFFFAOYSA-N 438.999 6.455 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCOCC)=C(c2ccccc2F)C1=O 1863644925 SVBDZTCPEUGWAY-UHFFFAOYSA-N 432.580 5.063 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(OCCC)cc2)C(=O)N(C(C)C)C1=O 1863682111 GCHXKVAVNGDJJR-UHFFFAOYSA-N 428.617 5.694 30 10 IKEE Cc1ccc(C)c2c1C[C@@H](C)CN2c1cc(Nc2ccccc2C#N)nc(-c2cccnc2)n1 1868572114 FFSMXEBZZPZSFJ-GOSISDBHSA-N 446.558 6.101 30 10 IKEE CCCCCCCCn1cc(OCC(=O)Nc2cccc(Br)c2)c(=O)cc1C 1870093745 YOKTZKGGHCSZBQ-UHFFFAOYSA-N 449.389 5.297 30 10 IKEE Cc1cc(C)cc(C(=O)Nc2c(C#N)nnn2Cc2c(Cl)ccc(Cl)c2Cl)c1 1870108822 ZZOWOHYTRUANQW-UHFFFAOYSA-N 434.714 5.027 30 10 IKEE C=CCn1cc(OCc2ccc(F)cc2)c(=O)cc1CSCCc1nc2ccccc2[nH]1 1870169910 UFBFZSOTRXMGTB-UHFFFAOYSA-N 449.551 5.105 30 10 IKEE CCCCCCCOc1cn(CCN(C)C)c(CSc2ccc(Cl)cc2)cc1=O 1870251894 VZIIMDSGXZKWCO-UHFFFAOYSA-N 437.049 5.705 30 10 IKEE CCCCCCCOc1cn(C[C@H]2CCCO2)c(CSc2ccc(C)cc2)cc1=O 1870252061 BFAKUAUAXXNUHF-JOCHJYFZSA-N 429.626 5.977 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(O)cc2)c(CNc2ccccc2C)cc1=O 1870839248 CUHAOZFNWRAZIS-UHFFFAOYSA-N 434.580 5.872 30 10 IKEE C=CCn1cc(OCCCCOc2ccccc2)c(=O)cc1CNc1ccc(OCC)cc1 1871223992 NEIVACRQBPYKPG-UHFFFAOYSA-N 448.563 5.283 30 10 IKEE CCCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1cccc(Cl)c1 1871252499 DUCRCZANUDVTGA-UHFFFAOYSA-N 449.982 6.145 30 10 IKEE CCCCCCCCCOc1cc(-c2ccc(Br)cc2)c2oc(=O)sc2c1 1871287890 ZJHRXLNEAHOAKI-UHFFFAOYSA-N 449.410 7.413 30 10 IKEE Cc1cccc(CN2COc3ccc4c(c3C2)O/C(=C\c2ccccc2OC(F)F)C4=O)c1 1871348105 QUJJRUUGLIXIHA-FMCGGJTJSA-N 449.453 5.565 30 10 IKEE CCCCCCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccccc1Cl)C3=O 1871349723 YZJCBIGYKNMUHS-HAHDFKILSA-N 439.983 6.777 30 10 IKEE Cc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(C23CC5CC(CC(C5)C2)C3)C4)o1 1871354536 SVDXVNYINNSVRV-AQHIEDMUSA-N 431.532 5.633 30 10 IKEE CCc1ccc([C@@H](C)N2COc3c(cc4c(c3C)O/C(=C\c3cccc(C)c3)C4=O)C2)cc1 1871360272 ZQWCMTYKGLFFNC-QVISHHADSA-N 439.555 6.395 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4cccc(C)c4C)ccc3C2=O)cc1 1871414377 UFIWFXDBSLJEIF-APQFFPOMSA-N 441.527 5.888 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc(Cl)c4C)cc(C)c3C2=O)c1 1871427536 JFJRHFLPZNQRED-FMCGGJTJSA-N 447.918 5.899 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OCc3cccc(Oc4ccccc4)c3)ccc2C1=O 1871436985 VDNSDPKRXNTZOM-XYGWBWBKSA-N 440.520 7.044 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc(OCC(=O)Nc3cccc(C)c3C)c2C)C1=O 1871459640 VLVRETMMGTWLHA-MTJSOVHGSA-N 433.529 5.615 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 1871894770 CMYHSMCLLPHONI-HSZRJFAPSA-N 428.598 5.068 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)S(=O)(=O)C1CC1 1872326950 YWPPCEOPTWPIQU-HSZRJFAPSA-N 434.646 5.411 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccccc1CC)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872494298 KIOWZAYJTZXKMV-RDPSFJRHSA-N 442.625 5.178 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)n2)c1C 1872781279 RGGVGEAHLHJLOH-OFNKIYASSA-N 446.616 6.811 30 10 IKEE Cc1cc(C)c(-c2csc([C@H](C#N)C(=O)Cc3ccc(Cl)c(Cl)c3)n2)c(C)c1 1872786683 PSGZTCPTFKRGRT-MRXNPFEDSA-N 429.372 6.461 30 10 IKEE C=CCN(CC=C)C(=O)c1ccc2nc(SCCCCOc3cccc(C)c3)[nH]c2c1 1872816426 JAPSSLPXLSCTNM-UHFFFAOYSA-N 435.593 5.637 30 10 IKEE CCCCCCCCCCNC(=O)c1nc(-n2cccc2)sc1CCc1ccccc1 1873936931 SSTCRNNBANQKDF-UHFFFAOYSA-N 437.653 6.590 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc(O)cc1O 1874231887 HEGORTDBDBZEFH-CVKSISIWSA-N 444.560 5.178 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2O)cc1C 1874358498 LACRGZSEGXAKHX-WGOQTCKBSA-N 428.561 5.366 30 10 IKEE CCCCOc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCC)cc1OC 1874412741 ONBJBINAZSRWAE-PXLXIMEGSA-N 430.599 5.112 30 10 IKEE CCCOc1cccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2)c1 1874417071 WQUYQEAGLPEPGW-ZXVVBBHZSA-N 442.588 5.832 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccccc3C)nnc2-c2ccccc2)c1O 1874425920 HUKOFGKAQSYGJO-MFKUBSTISA-N 430.533 5.142 30 10 IKEE Fc1ccccc1CSc1nnc(-c2ccccc2)n1/N=C/c1c[nH]c2ccccc12 1874428590 QGGIJPJGKMRNME-JFLMPSFJSA-N 427.508 5.740 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCc3ccccc3F)nnc2C(C)(C)C)cc1 1874481801 OMHZMVCWEYDGML-WGOQTCKBSA-N 439.604 5.735 30 10 IKEE CCOc1ccc(/C=N/n2c(CC(C)C)nnc2SCCc2ccccc2)cc1OC 1874490159 CGBIKLFAHDCYND-KOEQRZSOSA-N 438.597 5.101 30 10 IKEE CN(C)c1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CCC2)cc1 1874497590 QLBTZBBLRATGJL-ZVHZXABRSA-N 425.989 5.440 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C(C)C)cc1O 1874515396 WEDLAUSAZSZKLF-AFUMVMLFSA-N 432.549 5.443 30 10 IKEE CCOc1cc(/C=N/n2c(S)nnc2C2CCCC2)ccc1OCc1ccc(C)cc1 1874559616 BZYXNNHLWUBSCE-MFKUBSTISA-N 436.581 5.393 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(Cl)ccc1OCC(=O)NC1CCCCC1 1874581237 CQRGXDDGWAXYOV-PKNBQFBNSA-N 441.955 5.381 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1OC 1874593979 LIWUIZGAUZXOFP-JXMROGBWSA-N 443.326 6.486 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 1874610497 WJFZNCPLCVELKA-FMIVXFBMSA-N 443.326 6.486 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OCC(=O)NC1CCCCC1 1874616404 YDTDLKJJGNWBAU-JLHYYAGUSA-N 441.955 5.381 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)cc1F 1874621820 WGDVRQNBQGWHKC-UKTHLTGXSA-N 433.479 5.365 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccc2c(c1)CCCC2 1874693354 ASEJNZGAZSMYHE-OVCLIPMQSA-N 427.456 5.589 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cccc(F)c3)c2)cc1 1874695500 FDGFMSYVJJILFU-RVDMUPIBSA-N 432.491 6.292 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)c1ccccc1Cl 1874698448 WYIUOFMTKWPVDZ-WUXMJOGZSA-N 437.835 5.372 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cc(Cl)ccc3OC)c2)cc1 1874701574 ZKKVCNKUUKGLIM-NTUHNPAUSA-N 436.891 5.863 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OC(=O)CCCOc1ccc(C)cc1 1874702726 GXZYSVLCURZNSB-MHWRWJLKSA-N 444.527 5.973 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(C(C)C)cc3)c2)c1 1874709366 CIIYTFWDJPUHGG-MDWZMJQESA-N 430.500 5.943 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OC(=O)c1ccc([N+](=O)[O-])cc1 1874713621 GOJNOYOWJONPAY-LFYBBSHMSA-N 431.444 5.336 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3cc(C(C)(C)C)ccc3C)c2)cc1 1874715686 HDQIHROHESHHMF-FOWTUZBSSA-N 442.555 6.345 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)ccc1OC(=O)CCc1ccccc1C 1875103329 UCRVAECEKYVMDS-SFQUDFHCSA-N 442.555 6.390 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(OC)c1OC(=O)c1ccc(C)cc1 1875104232 MOFPNWLEDLSLJH-NTCAYCPXSA-N 442.511 5.856 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)cc1 1875112271 APRDEXDBUOTBAY-YIXHJXPBSA-N 437.835 5.372 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccs3)c(Br)c2)cc1 1875114393 RPIABFPMSQCPDC-ONNFQVAWSA-N 443.318 5.635 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)c(F)c2)c(Cl)c1)c1cccc(Cl)c1 1875121457 QHZKDKBAGATTEY-XBXARRHUSA-N 433.237 6.387 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3ccc(/C=C/C(=O)c4cccc(Cl)c4)cc3)c(C)c2c1 1875123404 KLBLRTQGCMJYHU-UKTHLTGXSA-N 429.903 6.553 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)c1cccc([N+](=O)[O-])c1 1875129070 JMHTYNBVWZRRHF-BUHFOSPRSA-N 443.455 5.447 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(OC)cc3)cc2)cc1 1875137544 RJUHOZLESAPIAM-UBKPWBPPSA-N 446.499 5.365 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3)c(OCC)c2)cc1 1875139231 YFEPDHCPPLMVPI-MHWRWJLKSA-N 444.527 5.918 30 10 IKEE O=C(CSc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1 1875146554 AIHNJCVKYBYZLM-XYOKQWHBSA-N 432.497 5.052 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)COc1c(C)ccc(C)c1C 1875159400 OYPDNVYUXPFYML-NTUHNPAUSA-N 448.490 5.640 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)COc3ccccc3)c(Cl)c2)c(C)c1 1875182371 ABQXNXPBBKSICG-PKNBQFBNSA-N 434.919 6.146 30 10 IKEE C[C@@H]1O[C@H](C)C[C@]1(C#N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875689165 CERNWJGXORKJOG-KWYNOQLMSA-N 443.543 5.585 30 10 IKEE CC[C@@H]1CC[C@@](C#N)([C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1 1875690003 OPOAPKQUMPFCCP-RNOQYBQRSA-N 441.571 6.598 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(F)cc3C(F)(F)F)cc21 1889606113 PQHOLMZLYPHTHX-UHFFFAOYSA-N 436.405 5.034 30 10 IKEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1Cl 1891637977 YCRUUTYKESYHSG-UHFFFAOYSA-N 435.751 5.190 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)[C@H]2C[C@H]21 1907793232 LNXLHLHJACBEFD-TUVUNVSASA-N 447.963 5.373 30 10 IKEE C[C@H](c1cccs1)N(Cc1ccccc1)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 1915407332 NDCLSVNSQRKPOR-HXUWFJFHSA-N 433.426 5.811 30 10 IKEE CC1(C)OB(c2cc(CN(Cc3ccccc3)Cc3cccs3)ccc2F)OC1(C)C 1915409357 AXSOEEKHLKKUHV-UHFFFAOYSA-N 437.389 5.389 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCOC[C@@H]1C(F)(F)F 1916556443 XIZXLPCINCRRAR-YOEHRIQHSA-N 449.267 5.052 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CC(C#N)(N(C(=O)OC(C)(C)C)c1ccccc1)C2 1922283760 DHUHHTKEXPBJDP-PMACEKPBSA-N 441.572 5.642 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)CC1 1948926214 AXJMYSDZMYJZQG-SGNDLWITSA-N 430.633 5.601 30 10 IKEE C[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)CCN1Cc1ccccc1 1949366815 NABPFSPYKXXWDQ-DFBJGRDBSA-N 439.987 6.028 30 10 IKEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@@]1(C#N)CCN(Cc2ccccc2)C(C)(C)C1 1992876189 OBOXJXUJSZRBRX-NRFANRHFSA-N 425.495 5.123 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1C[C@@]2(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 2016843087 SYOIKWNPHQTEEC-DGGJZMOXSA-N 447.601 5.167 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)Cc1cc(Cl)c(C)c(Br)c1 2048503443 LLEWWKCSMVJQFH-SJORKVTESA-N 432.786 5.174 30 10 IKEE C=CCCCC[C@@H](NCCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2059114434 JNTFLQDSWUAOQT-XMMPIXPASA-N 443.676 5.661 30 10 IKEE CCCC[C@](C)(C#N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071350270 WZXSJPBAOVYNOM-VSGBNLITSA-N 429.560 6.598 30 10 IKEE Cc1ccc([C@H](n2nc(C3(C)CC3)c(C#N)c2I)C(C)(C)C)cc1 2079024406 CSKURUNPOVTFTJ-KRWDZBQOSA-N 433.337 5.355 30 10 IKEE Cc1ccc([C@H](n2nc(C3CC3)c(C#N)c2I)C(C)(C)C)c(F)c1 2079060610 JWIKSHDNPDXJGZ-KRWDZBQOSA-N 437.300 5.320 30 10 IKEE CC[C@@H](c1c(C)cc(C)cc1C)n1nc(C(F)F)c(C=NO)c1I 2079880522 PENAUTIKXKCCTG-ZDUSSCGKSA-N 447.267 5.158 30 10 IKEE COC(=O)c1c(C(F)(F)F)nn([C@H](c2ccc(C(F)(F)F)cc2F)C2CC2)c1Cl 2079955708 FFLDTQRGPLUJMX-LBPRGKRZSA-N 444.734 5.499 30 10 IKEE CC(C)Oc1ccc([C@H](n2nc(C3(C)CC3)c(C#N)c2Br)C(C)(C)C)cc1 2080127976 YCKAQVDFKJKKSK-IBGZPJMESA-N 430.390 5.991 30 10 IKEE N#Cc1c(C2CCCCC2)nn(Cc2c(F)cccc2I)c1Cl 2080379955 MEYZFBDXNFKZAI-UHFFFAOYSA-N 443.691 5.248 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cccc(Br)c1Cl 2081391263 FCFFZCHIXIHXSJ-WBVHZDCISA-N 431.802 5.613 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1ccc(O)cc1Cl 2096989067 GIXFRIHLVANJGY-KRWDZBQOSA-N 437.721 5.814 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)C2(C#N)[C@H](C)CN(Cc3ccccc3)C[C@H]2C)cc1 2099266374 PFEJMMTXQMWJJA-NHCUHLMSSA-N 449.595 5.487 30 10 IKEE C=CCC[C@@H](C)[C@@H](NCCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2102101903 ZCDJJLJKFYSJTJ-DNVCBOLYSA-N 425.411 6.439 30 10 IKEE CC(C)(C)OC(=O)NCCCCCCCC(=O)Nc1cc(Br)ccc1C#N 2181052128 CHDJCJAFUOLJHK-UHFFFAOYSA-N 438.366 5.125 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1sc(C)c(Br)c1C 2218938739 QPTARSKUKYUBII-ZBFHGGJFSA-N 431.440 5.638 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)cc1CC 2237549647 IIFDCXSBUBABMG-UXHICEINSA-N 439.438 5.912 30 10 IKEE CCCC#C[C@@H](OCCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2276045474 XCWFQEMBBMISDJ-HHHXNRCGSA-N 443.587 6.055 30 10 IKEE C=CCCC1([C@@H](NC)c2ccc(Br)c(F)c2F)CN(C(=O)OC(C)(C)C)C1 2281033360 SVQGEUMMGQZHEW-KRWDZBQOSA-N 445.348 5.191 30 10 IKEE CC(C)(C)OC(=O)N1CCN(c2c(Br)cccc2C#N)C2(CCCCC2)C1 2285220034 DNKLPDFHIVDOFE-UHFFFAOYSA-N 434.378 5.081 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(F)cc(Br)c1F 2288348934 KENIMVFQHLLKJV-WMZOPIPTSA-N 447.364 5.628 30 10 IKEE CCCN[C@@H](C#CC1CCCC1)c1cc(Br)ccc1I 2289787255 QLOJLAMUKDDVMG-KRWDZBQOSA-N 446.170 5.288 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCCCN)c1cc(Br)cc(C(C)C)c1 2293322235 LSPYJRQMNHTTGE-QHCPKHFHSA-N 432.402 5.752 30 10 IKEE C=CCCC1([C@H](NCC)c2ccc(C)c(Br)c2)CN(C(=O)OC(C)(C)C)C1 2295988891 LQHOGYOAQQZFMN-LJQANCHMSA-N 437.422 5.611 30 10 IKEE CCCCN(CCCC)Cc1c(O)ccc2c1OC(=Cc1ccc(OC)c(OC)c1)C2=O 2296605716 WHEQHRIFFBTEKK-UHFFFAOYSA-N 439.552 5.428 30 10 IKEE Cc1ccc2nc(-c3ccc(N=CC=Cc4cccc(Br)c4)cc3)sc2c1 2297215044 QKFFKRJETNUNJC-UHFFFAOYSA-N 433.374 7.450 30 10 IKEE CCc1ccc(N=C2NC(=O)C(=Cc3cc(C)n(-c4cccc(C(=O)O)c4)c3C)S2)cc1 2297561489 FUSNXUJZFDXTQJ-UHFFFAOYSA-N 445.544 5.246 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CC[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2313030008 FDVJHXYMFULBNR-OFHLLDISSA-N 441.572 5.404 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1Cl)C2=O)c1ccccc1 2314438633 ZRUUECCBVGJRBC-UHFFFAOYSA-N 425.267 5.871 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Cl)cc(Br)c1F 2315459032 SRTBOOKMGAAGJM-GOEBONIOSA-N 435.765 5.362 30 10 IKEE CCc1nnc(SCC(=O)Nc2cccc(C)c2)n1N=Cc1ccc(Cl)cc1Cl 2320961472 VQECGLDPKPIVME-UHFFFAOYSA-N 448.379 5.069 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(ccc(OCC=Cc4ccccc4)c3C)C2=O)cc1 2321817787 JCCWFWIMNZOCLX-UHFFFAOYSA-N 439.555 6.550 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(N(C)C)cc1)O3)CN(C1CCCCCCC1)CO2 2322183783 RENGDURPYZLAEF-UHFFFAOYSA-N 446.591 5.942 30 10 IKEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1ccccc1Cl)NCc1ccco1 2322436882 YIGPKHMBMWZZAR-UHFFFAOYSA-N 430.287 5.178 30 10 IKEE COc1cccc(C=CC(=O)c2cc(C)ccc2C)c1OCc1nc(O)c2ccccc2n1 2322617618 NORUODNUPKYMHQ-UHFFFAOYSA-N 440.499 5.436 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OC(=O)c3cc4cc(Cl)ccc4o3)c2C)C1=O 2322851662 ZPUHERHKHDJJEJ-UHFFFAOYSA-N 444.870 6.538 30 10 IKEE COC(=O)COc1ccc(Br)cc1C=CC(=O)c1cc(C(C)(C)C)ccc1C 2322953039 LWADIKBTTWRMAR-UHFFFAOYSA-N 445.353 5.503 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cccc(OCC(=O)Nc2ccccc2C)c1 2323260189 HAQHVHNMTWHORM-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc1OCc1ccccc1F 2323288927 WSESYWYGVGJLTJ-UHFFFAOYSA-N 440.898 6.280 30 10 IKEE Cc1cccc(COc2ccc(C=CC(=O)c3cccc(Br)c3)cc2Cl)c1 2323652942 UKJAPODSIGPSKT-UHFFFAOYSA-N 441.752 6.886 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)Oc1ccc2c(c1C)OC(=Cc1ccco1)C2=O 2323672169 UVWGULRGWLBOCC-UHFFFAOYSA-N 445.254 5.739 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccccc1 2323688221 UQDMMJTYBFYEJN-UHFFFAOYSA-N 429.472 5.807 30 10 IKEE CC(=O)Nc1ccc(-c2csc(NN=Cc3cccc(OCc4ccccc4)c3)n2)cc1 2323851979 CGHLRZQWJOQGFJ-UHFFFAOYSA-N 442.544 5.794 30 10 IKEE CCCCCOc1ccc(C=NNc2nc(-c3ccc(F)cc3)cs2)cc1OCC 2323865962 ZJGUVEIQPZFKMS-UHFFFAOYSA-N 427.545 6.363 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])o1 2323900773 NYXWBMLSSRXLAK-UHFFFAOYSA-N 435.432 5.148 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)ccc1OCCc1ccccc1 2324522112 PPNYAEPTSVJVNY-UHFFFAOYSA-N 436.935 6.183 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc4c(c3)OCCO4)n2)cc1C 2324825566 BPJVBKBPSAFNLI-IBGZPJMESA-N 446.528 5.096 30 10 IKEE CC(C)CCOC(=O)CCOc1ccc2c(c1)OC(=Cc1ccccc1OC(F)F)C2=O 2325103802 PYDJPMRATPLCQO-UHFFFAOYSA-N 446.446 5.262 30 10 IKEE CCc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4c(C)cccc4C)ccc3C2=O)cc1 2325141865 FQGYGSZHFWVMEF-LJQANCHMSA-N 441.527 5.888 30 10 IKEE CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(C)cc2)C3=O)cc1 2325424609 GXMXGALFQIGGAM-SFHVURJKSA-N 441.483 5.220 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(C=CC(=O)c3ccccc3Cl)ccc2OC)c1 2325717182 KKQXNMQZIZEPCV-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)C3CC3)c2)cc1OCCC 2325726598 WZAJBVTZTWPBBH-UHFFFAOYSA-N 438.520 5.484 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(C=CC(=O)c3ccc(C)cc3C)ccc2OC)c1 2325735728 SXAKSGPSYZRPNO-UHFFFAOYSA-N 430.500 5.826 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccccc3F)c2)c(OCC)c1 2325762834 JNNLJPZVCBHEFO-UHFFFAOYSA-N 434.463 5.738 30 10 IKEE CCOc1cccc(C(=O)Oc2cccc(C=CC(=O)c3cc(C)c(OC)cc3C)c2)c1 2325771492 LSRUIJLXQXXYBV-UHFFFAOYSA-N 430.500 5.826 30 10 IKEE CCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1N=Cc1ccc(F)cc1 2325842513 NYBYRHNILRTPJF-UHFFFAOYSA-N 440.588 5.721 30 10 IKEE CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1ccc(Cl)cc1 2325904369 BIXHHNOWQFRMFB-UHFFFAOYSA-N 443.016 6.111 30 10 IKEE CCSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc(Br)cc1 2327948479 UHZZUVBFTZDRET-UHFFFAOYSA-N 449.805 5.473 30 10 IKEE Cc1ccc(C=Nn2c(CCOc3ccccc3)nnc2SCc2ccccc2)cc1 2329190057 SKWSFYDNFXYDPO-UHFFFAOYSA-N 428.561 5.383 30 10 IKEE Oc1cccc(C=Nn2c(SCCc3ccccc3)nnc2-c2ccccc2Cl)c1 2329587642 YHHDLLFYEFSDTE-UHFFFAOYSA-N 434.952 5.521 30 10 IKEE Cc1cccc(C=Nn2c(Cc3ccccc3F)nnc2SCc2cccc(F)c2)c1 2329725688 USWHCGFDFXNJRK-UHFFFAOYSA-N 434.515 5.630 30 10 IKEE Cc1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCc2ccc(C)cc2)cc1 2329799756 PVDGAHPBIOYHPT-UHFFFAOYSA-N 430.552 5.799 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccco1 2330149854 DZXJEUOSRXVVGB-OAHLLOKOSA-N 440.931 5.990 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4ccccc4c3)cc2)cc1 2330653431 DSEMJSHQXOPLOM-UHFFFAOYSA-N 434.535 7.253 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(OC)c3)cc2)cc1 2330707389 HWBDLANZRCJFAI-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)cc2)cc1 2330741124 ABPFANYBVZRJRH-UHFFFAOYSA-N 444.487 5.339 30 10 IKEE Cc1cccc(CSc2nnc([C@@H]3CCCO3)n2N=Cc2cn(C)c3ccccc23)c1 2330919435 RVPILXKXJWDAEP-QFIPXVFZSA-N 431.565 5.104 30 10 IKEE C=CCSc1nnc([C@@H]2CCCO2)n1N=Cc1ccc(OCc2ccc(C)cc2)cc1 2330973959 NCHASNXBVJCHIM-QFIPXVFZSA-N 434.565 5.177 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c(C)c1 2331018047 LQAYQGQGBSJZGS-UHFFFAOYSA-N 431.444 5.092 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)c1cccs1 2331149949 CWAABRKUWAKGRX-UHFFFAOYSA-N 447.339 6.569 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC(=O)Cc1ccccc1F 2331152794 UNNFHOWLLGCVQB-UHFFFAOYSA-N 438.882 5.922 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)c1ccc(C(C)(C)C)cc1 2331164969 FDXZOWFAIYOYLW-UHFFFAOYSA-N 444.527 6.117 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3ccc(C)cc3)c(OC)c2)cc1 2331193676 ZXHABKGEJMBKAA-UHFFFAOYSA-N 446.499 5.526 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2cc(OC)ccc2OC)cc1Cl 2331385551 ODIPBURDEYQCSF-UHFFFAOYSA-N 430.928 6.129 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(OC)ccc2OC)ccc1OC(=O)c1ccccc1C 2331392282 MQTBUWQBAXWWGB-UHFFFAOYSA-N 446.499 5.526 30 10 IKEE Cc1cncc(C(=O)Oc2ccc(C=CC(=O)c3ccc(Oc4ccccc4)cc3)cc2)c1 2331592686 SYVIGMVZANKGBJ-UHFFFAOYSA-N 435.479 6.298 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)Cc1ccc(F)c(C)c1 2331780030 SIRAJZGZKZYJGB-UHFFFAOYSA-N 446.518 6.112 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2OC)ccc1OC(=O)CCCSC 2331882892 VLDQXENUUSNYJV-UHFFFAOYSA-N 448.968 5.692 30 10 IKEE Cc1cc(Br)c(Oc2ncc(C#N)cc2Cl)cc1NC(=O)OC(C)(C)C 2344222118 SFJXAFKELLVBCY-UHFFFAOYSA-N 438.709 5.817 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@H](C#N)c1c(Cl)ccc(Cl)c1Cl 2364580220 NJXDNCQDIHLBIA-OAHLLOKOSA-N 446.161 7.307 30 10 IKEE CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3s1)=N[C@@H]2c1cc(F)cc(F)c1 17102208 WOXONVGFZBWABR-HXUWFJFHSA-N 438.503 5.330 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(OC)c2)cc1 21227365 IISRXMXKAWZAPB-MMTVBGGISA-N 440.543 6.073 30 10 IKEE CN(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2F)cc1 21259795 WCBYTIXXHXMBHF-DNOBIOAJSA-N 427.523 5.871 30 10 IKEE O=S(=O)(/N=C(/Nc1ccc(/N=N/c2ccccc2)cc1)c1ccccc1)c1ccccc1 27490121 YMOKNWDVORQCOX-BYYHNAKLSA-N 440.528 6.350 30 10 IKEE CCOc1cc(/C=C2/Cc3ccccc3C2=O)ccc1OCc1ccc(Br)cc1 33597606 JOUAWDKRAPQDIH-MOSHPQCFSA-N 449.344 6.249 30 10 IKEE CCCCCOc1ccc(/C=C2/CCC/C(=C/c3ccc(OCCCCC)cc3)C2=O)cc1 35330975 FETMZSSJZUELET-VDUNRZOZSA-N 446.631 8.045 30 10 IKEE C=CCc1ccccc1OCCCn1c([C@@H](C)NC(=O)c2ccncc2)nc2ccccc21 40183597 SUMNJNPTTMPCNA-HXUWFJFHSA-N 440.547 5.120 30 10 IKEE C=CCNC(=O)c1cc(-c2csc(-c3ccnc(CC)c3)n2)n(Cc2cccs2)c1C 43251669 JSBFGFOPKGOHGP-UHFFFAOYSA-N 448.617 5.570 30 10 IKEE O=C1/C(=C/C=C/c2ccccc2)S/C(=N/N=C\C=C\c2ccccc2)N1Cc1ccco1 47138768 CBOKNSSSMLRPNE-FYHYJDHTSA-N 439.540 6.008 30 10 IKEE CC1=NN(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)/C1=N\Nc1ccc(Cl)cc1 59461770 HTHQYWOBBOMIDG-ULJHMMPZSA-N 430.320 5.308 30 10 IKEE C=C(C)COc1cccc(NC(=O)CNc2ccc(NC(=O)c3cccc(C)c3)cc2)c1 66094646 DOFFOSAIYNDSTO-UHFFFAOYSA-N 429.520 5.253 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1COc1nc2ccccc2n1Cc1ccc(C#N)cc1 95086635 RQOBTENNAMDVHU-NRFANRHFSA-N 446.551 5.125 30 10 IKEE Cc1cccc(-c2nc3scc(-c4ccccc4)c3c(=O)n2Cc2cccc(C#N)c2)c1 96531586 SAQAWRQQLYMCED-UHFFFAOYSA-N 433.536 6.020 30 10 IKEE CCn1ccc(C(=O)/C=C\c2ccc(OC)c(COc3ccccc3Br)c2)n1 96576917 KIMMQRYZDSYUGN-NTMALXAHSA-N 441.325 5.149 30 10 IKEE CCCCCCCOc1ccc(NCC(=O)Nc2cccc(CCC(=O)N(C)C)c2)cc1 100077900 YABNSVNMJSQEFF-UHFFFAOYSA-N 439.600 5.107 30 10 IKEE CCCCCCCCCCCCCCCCNCc1cccc(OC)c1OCCCCC 100125379 HJAWEMQQRZSYNM-UHFFFAOYSA-N 447.748 8.835 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2cccc(NC(C)=O)c2)cc1 100288457 ATKLIFHSNMCUSF-UHFFFAOYSA-N 427.570 5.121 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2cccs2)cc1 169921331 DTTJVWLESIMYMX-FQEVSTJZSA-N 439.920 5.189 30 10 IKEE CCCOc1c(Cl)cc(/C=N\Nc2nc(-c3ccc(Cl)cc3)cs2)cc1Cl 169941167 JGANOKCOFBKCFE-RMORIDSASA-N 440.783 7.005 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3ccc(C)c(C)c3)cs2)cc(Cl)c1OCC 169942673 GGGDUSHJWUEBDX-MSXFZWOLSA-N 429.973 6.324 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccc(O)cc1)c1c[nH]c2ccccc12 169961186 MOJJCLKYZTUIKH-JOCHJYFZSA-N 444.874 5.310 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1cccs1)c1cc2ccccc2o1 169987790 BDSRJPLXSHYKSN-FQEVSTJZSA-N 437.423 5.555 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1cccs1)c1cc2ccccc2o1 169989464 IFFACBRYRTYVCP-QFIPXVFZSA-N 447.487 5.454 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(C)c(C)c2)=C(N(CC)c2ccccc2)C1=O 170001592 AIXMMCNHFFEKSL-UHFFFAOYSA-N 432.608 6.270 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 170059765 NYGBJMZMDFHLQI-FQEVSTJZSA-N 440.883 5.159 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccc(O)cc2)c1 170133519 CPBQJCRCXQDBSN-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3cc(C)c(OC)cc3C)=C(O)C(=O)N2CCC)cc1 170215862 HQKGZYOIVMWSIX-QHCPKHFHSA-N 437.536 5.089 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccc(O)c2)c1 170259920 JCKVATMAPKIVOI-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccco1 170293118 HGWFNNIOIVYHHX-QFIPXVFZSA-N 437.536 5.497 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@@H]1c1sccc1C 170319493 YIQVCDWQWPILPR-GOSISDBHSA-N 447.984 5.795 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cn(C)c3ccccc23)cc1 170394676 PULYGCCJRVCXKD-RUZDIDTESA-N 436.511 5.524 30 10 IKEE COc1ccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 170428739 CKFDUKYFTFRSIE-NRFANRHFSA-N 436.533 5.129 30 10 IKEE COc1ccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)cc1OC 170434086 WHJHMTIEGKRTQZ-LJQANCHMSA-N 447.890 5.012 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccccc2OC)cc1 170454049 BZMBZCPXNJMJLG-DEOSSOPVSA-N 436.552 5.057 30 10 IKEE Cc1cccc(N=C2S/C(=C/c3ccc4c(c3)OCO4)C(=O)N2c2cccc(C)c2)c1 252618120 LECXDHANEYQVFW-YZWRYSEFSA-N 428.513 5.841 30 10 IKEE C=CCn1c(SCc2cccc(Br)c2)nnc1-c1ccc2ccccc2c1 253564050 GCIHDTPWSJMTLC-UHFFFAOYSA-N 436.378 6.339 30 10 IKEE Cc1cccc(N=C2S/C(=C3\C(=O)Nc4ccccc43)C(=O)N2c2cccc(C)c2)c1 254379132 SQTBLSXUCCSCNY-ZDYVTZELSA-N 425.513 5.434 30 10 IKEE CCC(C=Nn1c(-c2cc(OC)ccc2OC)csc1=Nc1ccc(F)cc1)CC 254868593 ADBPHKCZGXLARO-UHFFFAOYSA-N 427.545 5.875 30 10 IKEE C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(C(=O)Nc2cccc(F)c2)CC1 508850675 VULUJYOWZPWXDR-QHCPKHFHSA-N 447.558 5.000 30 10 IKEE CC(C)COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccnc2)cc1 526517611 SJDWDFRCUKCGIL-XMMPIXPASA-N 425.488 5.045 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1/N=C\c1ccc(OCC)c([N+](=O)[O-])c1 526799963 LRYLYPSDANUKEA-HAHDFKILSA-N 439.541 5.102 30 10 IKEE CCOc1cc(/C=N\n2cnnc2SCc2ccccc2F)cc(Cl)c1OCC 526802499 JFXBCHQFEJGIDV-MYKKPKGFSA-N 434.924 5.043 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1ccc(C(C)(C)C)cc1 526809511 MVOIUXBQWBZACM-PKAZHMFMSA-N 434.653 6.710 30 10 IKEE CCCCCCCOc1ccccc1/C=N\n1cnnc1SCc1ccc(C)cc1C 526810589 BINQIILIECDZTR-PKAZHMFMSA-N 436.625 6.419 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1cccc(Br)c1 526812081 XWNXCKQXHKEVGS-QRVIBDJDSA-N 443.414 5.784 30 10 IKEE N#Cc1c(-c2ccc(F)cc2)csc1NC(=O)c1ccc(I)cc1 526912964 BBQWQHOCRBYCOV-UHFFFAOYSA-N 448.260 5.283 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)CCc3ccc(C)cc3)C2)c1 586001459 HUIPVCRPJLNQLF-VWLOTQADSA-N 447.623 5.186 30 10 IKEE CC(C)(C)OC(=O)NC1(CC(=O)C2=CCCCCC2)CCN(Cc2ccccc2)CC1 686818887 DSKKQCUFGPXVSJ-UHFFFAOYSA-N 426.601 5.396 30 10 IKEE COCc1csc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)c1 698410555 ZAFMXNVXTREHNP-INIZCTEOSA-N 437.359 5.663 30 10 IKEE COc1cc(Br)c([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCC2)cc1OC 698882791 SIJPQAIYCJDRJO-MRXNPFEDSA-N 439.350 5.211 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)Cc2ccc(Br)cc2)cc1 698904550 RMOZUUMVVMOYFW-QFIPXVFZSA-N 429.358 6.024 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2cc(Br)c(C)s2)cc1 698924288 SMXLJEGALXDVHZ-INIZCTEOSA-N 437.359 5.834 30 10 IKEE Cc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)c(Br)c1 698968728 WIAKWPKHSHZBLA-GOSISDBHSA-N 435.749 6.417 30 10 IKEE N#C[C@H](C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)C1CCCCC1 700310203 GOJCBHLIRYJADW-MHECFPHRSA-N 432.520 5.088 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@@H](C#N)c1ncc(Br)s1 714072718 ZTDADXNAPYTQSJ-LBPRGKRZSA-N 428.739 5.565 30 10 IKEE Cc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)c(C)c1Br 719634329 ROYGMJFFHYVFHC-SFHVURJKSA-N 449.776 6.726 30 10 IKEE Cc1c(/C=C2/SC(=Nc3ccccc3)N(C3CCCCC3)C2=O)c2ccccc2n1C 1084507604 ZNCQXVVTARBBCL-DNKROPNVSA-N 429.589 6.423 30 10 IKEE Cc1ccc(C(C)C)c(OCCCN2C(=O)C(=NO)c3cc(Br)cc(C)c32)c1 1772728822 DYCBYJWXHKZHIB-UHFFFAOYSA-N 445.357 5.183 30 10 IKEE C/C(=C1\SC(=Nc2cccnc2Cl)N(c2ccccc2)C1=O)c1ccc(C)c(C)c1 1772736156 XCDPASYMIMHMHO-YRGJWNIQSA-N 433.964 6.551 30 10 IKEE N#CCc1ccnc(C(F)(F)F)c1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1848370138 POHNEXZKSIUSRL-UHFFFAOYSA-N 434.459 7.100 30 10 IKEE C[C@H]1CCc2c(sc3nc(-c4ccccc4Cl)n(Cc4cccc(C#N)c4)c(=O)c23)C1 1857802650 DSYQOXIEYRGEKJ-HNNXBMFYSA-N 445.975 5.823 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC(C)C)NC(=O)c1ccccc1C(F)(F)F 1861043552 HVLPHZQIIQIQNL-OAQYLSRUSA-N 442.566 6.107 30 10 IKEE CCCCCCCCNC(=O)[C@H](CC)NC(=O)c1ccc2[nH]c(-c3ccc(C)cc3)nc2c1 1861434489 LWSSQKQDQPIJJP-QFIPXVFZSA-N 448.611 5.523 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1F 1861468577 NUIZZOCUAYIEMV-DEOSSOPVSA-N 442.575 5.129 30 10 IKEE CCCCCCCCNC(=O)[C@H](NC(=O)COc1ccc(Cl)cc1)c1ccccc1 1861731351 HIIBVGJGIHLZMJ-HSZRJFAPSA-N 430.976 5.053 30 10 IKEE CCCOc1ccc(-c2nc3ccc(C(=O)Nc4cccc(C#N)c4)cc3[nH]2)cc1OC 1861859920 AXBXKWSAAWJQNI-UHFFFAOYSA-N 426.476 5.151 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1cccc(C)c1 1862379809 LMJDAXHJKJSBBD-FQEVSTJZSA-N 432.347 6.070 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2cccc(F)c2)cc1 1862391146 UDXZLBOQJOIDLO-RUZDIDTESA-N 449.566 6.469 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2c(F)cccc2Cl)cc1 1862396634 JRXMKOAICFLJJT-NRFANRHFSA-N 427.903 5.562 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 1862397957 PHAHRWYHYXADLX-FQEVSTJZSA-N 431.454 5.646 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccc(F)cc2)c1 1862489400 AXLHBRCRMVJPLN-DEOSSOPVSA-N 447.481 5.403 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(C)cc1 1862523655 MHFXTEJVEFCEQP-HXUWFJFHSA-N 442.353 5.526 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc2c(c1)OCCO2 1862620529 UGHWPACEDYUNJP-WAIKUNEKSA-N 449.547 5.132 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc(F)cc2)cc1F 1862638257 XLAFKYLFASJULM-WTGRHJARSA-N 441.474 5.130 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccccc1)c1cccc2ccccc12 1862649218 SSQAGOIWCNTZKE-RUZDIDTESA-N 425.528 6.141 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc2cc[nH]c2c1 1862650940 HHTWHMUULUTJBD-RUZDIDTESA-N 438.527 6.090 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(Cl)cc1 1862652157 FIIUJDFVUYQVRX-QHCPKHFHSA-N 449.934 5.498 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 1862676998 WFDOLPYNUCXYFN-IVZQSRNASA-N 446.434 5.073 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cc(Cl)cc(Cl)c2)cc1 1862689955 DIYAVSSNSUUMHI-HXUWFJFHSA-N 446.330 5.523 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862717733 LBSCQMGAQCTUAY-QFIPXVFZSA-N 430.460 5.126 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CC(C)C)c1 1862719848 PQSVYXBCDPODEP-RUZDIDTESA-N 443.543 5.863 30 10 IKEE N#Cc1cccc(NC2=C(c3cccc4ccccc34)C(=O)N(c3cccc(Cl)c3)C2=O)c1 1862843759 DVMQUCNPSCLORF-UHFFFAOYSA-N 449.897 5.761 30 10 IKEE COc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(C(C)C)cc3)C2=O)cc1 1862960501 HQJQSIAZSRQJMY-UHFFFAOYSA-N 437.499 5.087 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Cl)c(C(F)(F)F)c2)=C(c2ccc(F)cc2F)C1=O 1863306408 AHLRGJRWXGJUJY-UHFFFAOYSA-N 442.771 5.015 30 10 IKEE CCCCCCCCNC1=C(c2ccc(C)cc2)C(=O)N(CCc2ccc(C)cc2)C1=O 1863625669 JWMCVZFKJKZMCN-UHFFFAOYSA-N 432.608 5.576 30 10 IKEE CCCCCCCCNC1=C(c2ccc(F)c(C)c2)C(=O)N([C@@H](C)c2ccccc2)C1=O 1863794369 VREURCKAEISTIY-FQEVSTJZSA-N 436.571 5.925 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1n[nH]c(=N)c2ccccc12 1866032778 XCGBVMNMMLTQTQ-UHFFFAOYSA-N 426.649 7.242 30 10 IKEE N#Cc1cc(Br)c(NC(=O)c2ccccc2C(F)(F)F)c(Br)c1 1866089028 QIBDOPGWAFDFHT-UHFFFAOYSA-N 448.036 5.354 30 10 IKEE CCc1nc(Nc2cccc(C#N)c2)cc(N2CCc3cc(C)ccc3[C@H]2CC(C)C)n1 1868268799 WXTAFXWQPJFIAO-XMMPIXPASA-N 425.580 6.113 30 10 IKEE CCCN(CCCN(C)C)c1cc(Nc2ccccc2C#N)nc(-c2ccc(F)cc2)n1 1868463429 VCOBKOTYVNKNRJ-UHFFFAOYSA-N 432.547 5.066 30 10 IKEE C=CCn1cc(OCCCCOc2ccccc2)c(=O)cc1CSCc1ccccc1 1870222679 JSZOVMSYYKOMBQ-UHFFFAOYSA-N 435.589 5.706 30 10 IKEE CCCCCCCCn1cc(OCC(=O)NCC)c(=O)cc1CSc1ccccc1 1870289932 GUGKVPXNVMWFGB-UHFFFAOYSA-N 430.614 5.016 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(F)cc2)c(CN2CCC[C@H](C)C2)cc1=O 1870411114 UIUGSYHPURXIPT-NRFANRHFSA-N 428.592 5.617 30 10 IKEE CCCCCCCCn1cc(OCCOc2ccccc2)c(=O)cc1CN(CC)CC 1870600578 XHMWJYDJDLKBLY-UHFFFAOYSA-N 428.617 5.508 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(C)cc2)cn1CCCCCCCC 1870770373 IPMBXDWTSXNFJN-UHFFFAOYSA-N 436.640 6.270 30 10 IKEE C=CCn1cc(OCc2c(C)cc(C)cc2C)c(=O)cc1CNc1ccc(Cl)c(C)c1 1870803060 YGOYPRRIKRDYFY-UHFFFAOYSA-N 436.983 6.112 30 10 IKEE Cc1c(OC(=O)Cc2ccc(F)cc2)ccc2c1O/C(=C\c1c(F)cccc1Cl)C2=O 1871371807 KJVZIGDHHLZBOT-MTJSOVHGSA-N 440.829 5.691 30 10 IKEE Cc1cc(OC(=O)/C=C/c2ccc(C(C)C)cc2)cc2c1C(=O)/C(=C/c1ccc(F)cc1)O2 1871379969 PGOAJXWOPJTHOM-QXXZEVIWSA-N 442.486 6.493 30 10 IKEE Cc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1sccc1C)C2=O 1871409586 RSXGAIHVIKRNEG-WBRURWICSA-N 433.529 5.696 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4cc(C)ccc4C)cc(C)c3C2=O)c1 1871410889 CCKLQPOSFHJBGT-FQOPDIHJSA-N 441.527 5.942 30 10 IKEE COc1ccc(OCCCOc2ccc3c(c2C)O/C(=C\c2ccccc2C)C3=O)cc1 1871415543 HSEKCRXDLRPEFZ-UQQQWYQISA-N 430.500 5.776 30 10 IKEE CCCCCCOC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871421806 MDVXEVHLXRSJAS-JLPGSUDCSA-N 436.548 6.237 30 10 IKEE CCCCCCCCCOc1cc(C)c2c(c1)O/C(=C\c1cccc(OC)c1OC)C2=O 1871429996 XRSMTPGIHLYDBW-ULJHMMPZSA-N 438.564 6.758 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871450863 SZXNBLCMDWVDRH-MQKZQLNTSA-N 445.490 5.973 30 10 IKEE Cc1cc(Cl)ccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 1871454673 QYYSMMQITIFHBU-JJFYIABZSA-N 437.854 5.421 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc(C)c4)ccc3C2=O)cc1 1871456323 YQPPDPPMBRYPSN-OYKKKHCWSA-N 429.472 5.027 30 10 IKEE CCCCCCCCCCN=c1nc(N2CCCC2)[nH]c(=Nc2cccc(Cl)c2)[nH]1 1871646835 DKYHNZCLHALPAM-UHFFFAOYSA-N 431.028 5.265 30 10 IKEE C=CCN([C@H](CC)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1cc(C)ccc1C 1871823416 JRSMZNXZGJMURU-HSZRJFAPSA-N 442.625 5.240 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)c(C)c1)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1871910780 MAPFKOCUVSNUTE-NTKDMRAZSA-N 442.625 5.232 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccccc1C(C)C)[C@@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872460654 GJFSUDSDGKENRL-FDDCHVKYSA-N 446.588 5.179 30 10 IKEE C=CCN([C@H](CC(C)C)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1cc(C)ccc1C 1872547410 NYYNEFPHFYZPEQ-HSZRJFAPSA-N 442.625 5.150 30 10 IKEE C=CCN([C@H](CC(C)C)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(C)c(C)c1 1872550875 GJEZNZIYNUOCCW-XMMPIXPASA-N 442.625 5.150 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccccc3C)n2)cc1 1872769914 CUXRPVWIPZBTMX-OAQYLSRUSA-N 434.561 5.943 30 10 IKEE COc1ccccc1CC(=O)[C@@H](C#N)c1nc(-c2cc(Cl)c(OC)c(Cl)c2)cs1 1872785541 PKPNJKSIBAUYSO-CQSZACIVSA-N 447.343 5.553 30 10 IKEE N#C[C@@H](C(=O)c1c(Cl)ccc(Cl)c1Cl)c1nc(-c2ccc(Cl)s2)cs1 1872789439 JCFWILMDLMKYCK-ZETCQYMHSA-N 448.183 6.975 30 10 IKEE N#Cc1cccc(NC(=O)c2ccc3nc(CCCOc4ccc5ccccc5c4)[nH]c3c2)c1 1872804906 QHKCHEOEARMVQV-UHFFFAOYSA-N 446.510 5.852 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCC(C)C)=C(c2cc(F)c(F)cc2F)C1=O 1873061106 CDEYWCYHZSFXDB-UHFFFAOYSA-N 438.534 5.570 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc3c[nH]nc3c1)n2C 1873629205 QSMMYLMECKFDTJ-UHFFFAOYSA-N 447.587 5.650 30 10 IKEE CCCCCCCCCCNC(=O)c1sc(-c2c(Cl)cccc2Cl)nc1C 1873935368 NXZXMOMXZZWAMF-UHFFFAOYSA-N 427.441 7.296 30 10 IKEE CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1c(F)cccc1Cl 1874215270 DKDQTVAFJBYRGU-NUGSKGIGSA-N 439.343 5.524 30 10 IKEE CCCSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1ccccc1Cl 1874253603 GMTGDRORNXXZFE-LFVJCYFKSA-N 428.989 5.636 30 10 IKEE Cn1cccc1/C=N/n1c(CCc2ccc(Cl)cc2)nnc1SCc1ccccc1 1874282913 GNYBQGHOKYLTSV-PCLIKHOPSA-N 435.984 5.230 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1cccn1C 1874297527 GXCMKTJRYHLQMX-VULFUBBASA-N 449.555 5.126 30 10 IKEE C=C(C)CSc1nnc(CCc2cccs2)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874371802 RXOQQRYTQLKLDP-SSDVNMTOSA-N 449.001 5.043 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2cccc(F)c2)cc1 1874417754 RMHVSFYIYWTCHK-MFKUBSTISA-N 447.495 5.091 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(Cc2ccccc2)n1/N=C/c1cccnc1 1874419911 KTNDMDBTWDPLQL-VULFUBBASA-N 437.931 5.231 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3ccccc3F)nnc2-c2cccs2)c(F)c1 1874422280 DTRFEFUTCWIYHG-BHGWPJFGSA-N 430.480 5.598 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccccc3)n2/N=C/c2ccccc2[N+](=O)[O-])c1 1874428591 QGOOZJSVYXXACL-MFKUBSTISA-N 443.532 5.645 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2[C@@H]2CCCO2)c(F)c1 1874449567 GIRRWOSCNGXHFC-DAFNMPDCSA-N 434.899 5.236 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SCCC)nnc2C2CCCC2)cc1OCC 1874456399 PPIGVCMUCIQCOZ-XIEYBQDHSA-N 444.645 6.288 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874479883 WTYREKQRQRFOLT-WSDLNYQXSA-N 445.932 5.062 30 10 IKEE CC(C)(C)c1nnc(SCc2ccccc2F)n1/N=C/c1ccc(Br)cc1 1874481712 KDTPWZFTUITRIC-FSJBWODESA-N 447.377 5.652 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C(C)(C)C)cc1 1874485508 ZDZIGVZXNZOKAG-ZVHZXABRSA-N 428.989 5.802 30 10 IKEE CC(C)c1nnc(SCc2ccccc2F)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874513653 JRNRTBBWRORKMU-LSHDLFTRSA-N 433.896 5.277 30 10 IKEE Cc1cc(OCc2nnc(S)n2/N=C/c2ccc(OC(C)C)cc2)cc(C)c1Cl 1874568911 WZBXKSFAODTKFI-FOKLQQMPSA-N 430.961 5.085 30 10 IKEE COc1cccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2cc(C)cc(C)c2)c1 1874573325 HXWGHQNCDSAHMS-VAWYXSNFSA-N 445.515 5.234 30 10 IKEE O=C(/C=C/c1cc(Br)ccc1OCc1cccc(F)c1)c1ccc(Cl)cc1 1874577406 MKGLYOCHKAXQFI-UXBLZVDNSA-N 445.715 6.717 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2cc(C)ccc2C)cc1 1874577725 CAOAXEKQFZTLSZ-DTQAZKPQSA-N 429.516 5.616 30 10 IKEE CCCOC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(C(C)(C)C)cc1 1874582142 YMFJRTGVDSAZPF-FOCLMDBBSA-N 430.544 6.365 30 10 IKEE O=C(COc1cccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1)NC1CCCCC1 1874593746 ZRFOCCJSBTVZIZ-FMIVXFBMSA-N 432.347 5.717 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC)c(OC)c2Br)cc1C(C)C 1874598614 VUWFDTIKYGMHJL-VQHVLOKHSA-N 433.342 5.803 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC)c(OCc3ccccc3C)c2)c1 1874599666 YHLCBNGIJWHZCG-SDNWHVSQSA-N 446.543 6.276 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 1874599696 ZQKULQGEEZHKEL-CSKARUKUSA-N 441.354 7.094 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1ccccc1C 1874602180 YLDZPJBEZPZVPP-VAWYXSNFSA-N 433.460 5.396 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCc3cc(C)ccc3C)cc2)c(OCC)c1 1874631985 FAJPRIQYGCNIBL-LFIBNONCSA-N 430.544 6.576 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2cccc(Cl)c2)cc1OC(=O)C(C)C 1874699429 VDTRLLJPWDIZIZ-BQYQJAHWSA-N 437.717 5.569 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1OC(=O)c1ccc(F)cc1 1874712349 UOQKNMMSEQGNQQ-WUXMJOGZSA-N 432.491 6.183 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2cccc(OC(=O)c3cncc(C)c3)c2)cc1Cl 1874717121 ZTCRLEMTINTSGS-VOTSOKGWSA-N 442.298 5.821 30 10 IKEE COc1ccccc1CC(=O)Oc1cccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1 1874718194 DFWHUYAXPFNENX-FMIVXFBMSA-N 441.310 6.046 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc1OC(=O)c1cncc(C)c1 1874718628 SUDPBEOANFZPQD-QPJJXVBHSA-N 437.879 5.176 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1C 1875107372 NAQMVDZJSUZYCF-VZUCSPMQSA-N 441.310 6.426 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(OC)c1OC(=O)CCCCCC 1875115303 XCXWQJXMZRTNDI-SFQUDFHCSA-N 436.548 6.204 30 10 IKEE Cc1cc(CC(=O)Oc2ccc(/C=C/C(=O)c3cccc(Cl)c3)cc2Cl)ccc1F 1875121579 WVNWFSUZIVWUQC-RMKNXTFCSA-N 443.301 6.485 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc(OC)c1OC(=O)C1CCCC1 1875147949 UHEVHYCHPORKET-PKNBQFBNSA-N 448.515 5.187 30 10 IKEE CC(C)(C)OC(=O)NC1CC2(CC[C@]2(C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 1880300392 RXJBSAXCWVCZCN-GJWKQQKWSA-N 441.572 5.153 30 10 IKEE CCN(CC)c1cccc(OCC#CCNC(=O)c2c3ccccc3nc3ccccc23)c1 1891812291 RWKZCJCSJDQEFV-UHFFFAOYSA-N 437.543 5.046 30 10 IKEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N[C@H](C)c3c(C)oc4ccc(OC)cc34)n[nH]2)c1C 1892235953 LMIWYLNRAYWTRQ-CQSZACIVSA-N 447.539 5.020 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)OC(C)(C)C 1922077283 MGHSOXROPOSWGT-QCCYXRBGSA-N 428.617 5.067 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc([C@H](C#N)N(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)c1 1944064947 XQSJMTIUJHITTD-OALUTQOASA-N 431.533 5.014 30 10 IKEE CC[C@@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)CN1C(=O)OC(C)(C)C 1996581009 ZLYDGRVVLVJVOQ-KOSHJBKYSA-N 435.609 5.628 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@](C#N)(N(Cc3cccs3)C(=O)OC(C)(C)C)C[C@H]2C1 1996808885 SZPKBGWWZXOOOL-DTVZVWBHSA-N 447.601 5.024 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Br)c1Cl)NC 2047974579 XCRKCDQKAWBAJL-JKSUJKDBSA-N 431.802 5.093 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C12CCCCC2 2072196463 FIXCRIXQZWVQPI-VWLOTQADSA-N 447.620 5.772 30 10 IKEE COC(=O)c1c(C(C)(C)C)nn(Cc2ccc(C(F)(F)F)cc2F)c1C(F)(F)F 2079026289 YZZFDRLLSTZXKM-UHFFFAOYSA-N 426.332 5.192 30 10 IKEE CC(C)[C@@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)(F)F)c(N)c1Br 2079979028 KGQSRJNFDDFRNV-NSHDSACASA-N 448.180 5.650 30 10 IKEE CC1(c2nn([C@H](c3ccc(C(F)(F)F)c(F)c3)C3CC3)c(Br)c2C#N)CC1 2080006681 RGFADSKIENAOJK-HNNXBMFYSA-N 442.254 5.726 30 10 IKEE CCc1nn([C@@H](c2ccc(OC(C)C)cc2)C2CCC2)c(I)c1C#N 2080104623 SKSOUXMTUMZOAG-LJQANCHMSA-N 449.336 5.098 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(C)c(Br)cc1C 2136365363 XSYFEMBGNJQGCN-OALUTQOASA-N 425.411 5.576 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H](Nc2ccc(C#N)c(Br)c2F)C1 2162337147 FLTXYTYCFNDCLO-HNNXBMFYSA-N 438.341 5.051 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(C#N)c(Br)c2F)C12CCCC2 2162388362 XEDBRNPKFDCSIY-OAHLLOKOSA-N 438.341 5.194 30 10 IKEE N#Cc1c(F)cc(Br)cc1NC[C@]12CC[C@@H]1CCCN2Cc1ccccc1 2163707444 JYRCCGWKCXDYJM-HTAPYJJXSA-N 428.349 5.317 30 10 IKEE C#CC[C@@H](C[C@@H](NCC)c1cc(Br)ccc1I)C1CC1 2196855587 DEMMYAANRPFDSK-SUMWQHHRSA-N 446.170 5.144 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)C1(C#N)CC2(CC3(CCC3)C2)C1 2204089310 IKLSLOZOAQPNML-UHFFFAOYSA-N 431.374 6.197 30 10 IKEE C=C(Cl)C[C@H](NCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2221683228 WKYNWRLEFZHQGI-IRXDYDNUSA-N 431.802 5.006 30 10 IKEE CCC#C[C@@H](NCCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2225474926 SFJQQBZCKWDEKZ-GGXMVOPNSA-N 443.587 5.660 30 10 IKEE C=CCN(CC[C@H](NCCC)c1cc(Cl)c(Cl)c(Cl)c1)C(=O)OC(C)(C)C 2232526552 IWPJLFDNYBXLQV-KRWDZBQOSA-N 435.823 6.501 30 10 IKEE C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2255807325 RSHZABLYIKIKFK-QGZVFWFLSA-N 437.370 5.044 30 10 IKEE C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1cccc(Cl)c1B1OC(C)(C)C(C)(C)O1 2256088743 LQJWOASNGFIERT-KRWDZBQOSA-N 439.792 5.080 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2sc(Cl)cc2Br)c1 2259918663 AMUAKTLHOPPZFP-AWEZNQCLSA-N 441.778 6.479 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)C1(C#N)CCC2(CCS2)CC1 2272898363 ULCRFVVYORIPEU-UHFFFAOYSA-N 437.403 5.903 30 10 IKEE CC1(C)OB(c2cc(F)c(C(=O)N(Cc3ccccc3)c3ccccc3)c(F)c2)OC1(C)C 2281834422 NPMKFPQGVMORCP-UHFFFAOYSA-N 449.306 5.111 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@H](NC(=O)OC(C)(C)C)[C@H](C)CC 2296217102 QQEGIMCYZMXPJE-LSTHTHJFSA-N 437.422 5.108 30 10 IKEE Cc1c(NC(=O)OC(C)(C)C)ccc(C(=O)C#Cc2cccc(Br)c2)c1C 2296233372 XBRKNFNCTUUJJJ-UHFFFAOYSA-N 428.326 5.647 30 10 IKEE O=c1oc2ccccc2cc1-c1ccc(N=CC=Cc2ccc(Br)cc2)cc1 2296734183 OSZCMIRKLTVHCW-UHFFFAOYSA-N 430.301 6.638 30 10 IKEE O=S(=O)(N=C(N=C(Oc1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 2297175022 KSAJPVALNWFCIF-UHFFFAOYSA-N 440.524 5.348 30 10 IKEE Cc1occc1C(=O)Nc1ccc(C(=O)C=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 2314523056 HKKPSXNHYKAYNL-UHFFFAOYSA-N 442.427 5.905 30 10 IKEE CCOc1cc(C=Nn2cnnc2SCc2ccccc2)cc(Cl)c1OCC(C)C 2318573940 BBOVAKRUAKDBMZ-UHFFFAOYSA-N 444.988 5.540 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(Cl)cc1)O3)CN(CCc1ccc(F)cc1)CO2 2321937047 MKELURHZDCZGBY-UHFFFAOYSA-N 449.909 5.798 30 10 IKEE CCN(CC)CCN1COc2ccc3c(c2C1)OC(=Cc1ccc(Cl)cc1Cl)C3=O 2322170523 KEDYVHWFFXOFPR-UHFFFAOYSA-N 447.362 5.103 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(N(C)C)cc1)C3=O)CN(Cc1cccs1)CO2 2322308408 NEOQUZZYPMUYNG-UHFFFAOYSA-N 432.545 5.091 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccccc2F)cc1 2322607141 RUSABMQSGGYQSC-UHFFFAOYSA-N 433.479 5.528 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2c(C)cccc2C)c(C)c1C 2322815558 NBXYFIDHBQTUTI-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1OCc1cc(C)ccc1C 2323049435 YPLOQBNSPRAMCA-UHFFFAOYSA-N 426.556 6.666 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(=O)CCCOc4ccccc4C)ccc3C2=O)c1 2323172815 PXISRWQZACWKAJ-UHFFFAOYSA-N 444.483 5.384 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(=O)C=Cc4cccs4)cc(C)c3C2=O)c1OC 2323521158 YFPPZNHOGGCHGT-UHFFFAOYSA-N 448.496 5.309 30 10 IKEE Cc1c(OC(=O)c2cccc(OCC(C)C)c2)ccc2c1OC(=Cc1ccncc1)C2=O 2323580387 HTVQYRIKJUBDRF-UHFFFAOYSA-N 429.472 5.260 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1Cl)NCc1ccco1 2323790276 FSYDDCYUJIMRJC-UHFFFAOYSA-N 430.287 5.178 30 10 IKEE C=C(C)COc1c(Cl)cc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)cc1OC 2324319196 RECGJNVVATWWFQ-UHFFFAOYSA-N 441.738 6.515 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccccc2)C3=O)cc1 2324484299 WDNJFFDVWAVPAN-GOSISDBHSA-N 427.500 5.580 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(OC(C)C)c(OC)c1 2325544245 AMJNXCMLENPCDR-UHFFFAOYSA-N 442.560 5.340 30 10 IKEE CCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(OCc2ccccc2)cc1 2325589407 UABBOTNVQFAISZ-UHFFFAOYSA-N 446.551 5.733 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4cc(Cl)cc(Cl)c4)ccc3C2=O)o1 2325707767 NDGVAXVMMAXSEQ-UHFFFAOYSA-N 444.270 5.529 30 10 IKEE CCc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1 2325723175 XHPANURDQAJQKV-UHFFFAOYSA-N 439.511 5.747 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)CCOc3ccccc3)c2)cc1 2325733953 YUNIOUDDSZCSIO-UHFFFAOYSA-N 446.499 5.365 30 10 IKEE O=C(Cc1cc(Cl)ccc1Cl)Oc1cccc(C=CC(=O)c2ccc(F)c(F)c2)c1 2325753480 LWHQMXLXORVXTK-UHFFFAOYSA-N 447.264 6.316 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1cccc(C=CC(=O)c2ccc(F)c(F)c2)c1 2325753594 WFEIJVMBURVHKQ-UHFFFAOYSA-N 426.846 6.053 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1cccc(C)c1 2326083910 ISLIUAAQMWIGJD-UHFFFAOYSA-N 428.989 5.636 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1cccc(OCC)c1OC 2326306478 YFRFTBKYBSDJBW-UHFFFAOYSA-N 438.597 5.511 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1c(O)ccc2ccccc12 2326358135 VZXROHXPLXVPDK-UHFFFAOYSA-N 436.968 5.917 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1c(Cl)cccc1Cl 2326360195 BGTPTPMSYVOVDU-UHFFFAOYSA-N 439.799 6.365 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3C)n2N=Cc2cccs2)cc1C 2328774959 YNGUQSLGFALVOK-UHFFFAOYSA-N 448.617 6.018 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3F)n2N=Cc2cccnc2)cc1C 2328792013 XEMCPDWESQJFOK-UHFFFAOYSA-N 447.539 5.183 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1cn(C)c2ccccc12 2329101102 AOLXBGVXVWHYPK-UHFFFAOYSA-N 435.984 5.564 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccc(C)cc3)n2N=Cc2ccc(F)cc2)cc1 2329242376 FZKIQXCTUFQUAE-UHFFFAOYSA-N 446.551 5.500 30 10 IKEE Cc1ccc(C=Nn2c(COc3ccccc3)nnc2SCc2cccc(C)c2)cc1 2329891686 MYTCDIBLKWKHHI-UHFFFAOYSA-N 428.561 5.648 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCCc2ccccc2)n1N=Cc1cccc(O)c1 2330115403 IQSSMPQIZLZBGF-LJQANCHMSA-N 428.561 5.353 30 10 IKEE C=CCSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1ccc(OCCCCC)cc1 2330120566 LVJQESISZWZKFX-FQEVSTJZSA-N 434.609 6.159 30 10 IKEE COc1cccc(C=Nn2c(CCc3ccccc3)nnc2SCCc2ccccc2)c1 2330199914 SGCRYIYVAHIFGV-UHFFFAOYSA-N 442.588 5.289 30 10 IKEE Fc1cccc(Cl)c1C=Nn1c(CC2CCCCC2)nnc1SCc1ccccc1 2330271393 ZHXXXFWXVOGLJH-UHFFFAOYSA-N 442.991 6.368 30 10 IKEE COc1ccccc1C=Nn1c(SCc2cc(C)ccc2C)nnc1-c1cccs1 2330583206 SGPSGEIVBCATNH-UHFFFAOYSA-N 434.590 5.807 30 10 IKEE Fc1ccccc1C=Nn1c(SCc2cccc3ccccc23)nnc1-c1cccs1 2330596580 LLRODIMYGWMXKN-UHFFFAOYSA-N 444.560 6.473 30 10 IKEE Clc1ccc(C=Nn2c(SCc3ccccc3)nnc2-c2ccccc2)c(Cl)c1 2330670959 GYSWLLJYHPSAOG-UHFFFAOYSA-N 439.371 6.426 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cc(C)ccc3C)cc2)cc1OC 2330707459 ZBPPRRIQYMWOMS-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(C(=O)O)cc1 2330848147 GLAAEFISPPQYQR-UHFFFAOYSA-N 442.972 5.393 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cccc(Cl)c3)cc2[N+](=O)[O-])cc1C 2331125988 XSTRLCMOPNRWFX-UHFFFAOYSA-N 435.863 5.980 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(F)c(F)c1F 2331136293 YMYPVTNMXWBIQD-UHFFFAOYSA-N 446.808 5.881 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(-c3ccco3)n2N=Cc2ccccc2Cl)cc1 2331187557 AKIAZSHVPIOBPP-UHFFFAOYSA-N 439.884 5.274 30 10 IKEE Fc1ccccc1C=Nn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccco1 2331216010 OXCREQOINZWULS-UHFFFAOYSA-N 447.322 6.159 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2-c2ccco2)cc1 2331225241 AHDDVGCLRDKTEF-UHFFFAOYSA-N 438.940 5.765 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3)cc2OC)cc1 2331293216 HWTCZTQYKSIOPU-UHFFFAOYSA-N 444.527 5.837 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccc(OC)cc3)cc2)cc1 2331295804 GJQPGWBSHYZBKE-UHFFFAOYSA-N 444.527 5.918 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3sccc3C)c(OC)c2)cc1 2331311594 AQIKHFSKXNQHQO-UHFFFAOYSA-N 436.529 5.969 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2[N+](=O)[O-])c1 2331322926 JQBJCKFKQBQLCG-UHFFFAOYSA-N 429.472 5.944 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)c1 2331378643 LPDJRRCYFCPDMO-UHFFFAOYSA-N 438.479 5.972 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2cccc(F)c2)nnc1C(C)(C)C 2331385059 AQUPZFDSNAEYSA-UHFFFAOYSA-N 426.561 5.678 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OC(=O)c1cccnc1 2331409003 HSZOKWDNSRQXHO-UHFFFAOYSA-N 449.934 6.156 30 10 IKEE O=C(Cc1cccs1)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1Cl 2331437924 UEDXDENIUKTEAM-UHFFFAOYSA-N 426.877 5.174 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1)c1ccc(F)cc1 2331517748 VPKNREWWYYFEBW-UHFFFAOYSA-N 425.799 5.503 30 10 IKEE CCOc1c(C=Nn2c(SCc3ccccc3F)nnc2C2CCC2)cccc1OC 2331522982 SCOZFMFBUAUHIU-UHFFFAOYSA-N 440.544 5.267 30 10 IKEE COCc1nnc(SCc2cccc(F)c2)n1N=Cc1c(Cl)cccc1Cl 2331563490 SVBCYDYHCHCQNF-UHFFFAOYSA-N 425.316 5.045 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(Cl)c2)cc(OC)c1OC(=O)C(C)C 2331834896 VHKVJPYWZKMJRS-UHFFFAOYSA-N 428.912 5.543 30 10 IKEE CC(C)(C)OC(=O)N(CCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C(C)(C)C 2339576380 HIOQNANLGOJPLG-BUHFOSPRSA-N 446.397 5.141 30 10 IKEE COc1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)c(Br)cn1 2362113206 RGOCCNPYVKBFCY-QGZVFWFLSA-N 438.366 5.377 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O)c1ccc(F)cc1 2421805 AJBNJQPOGACYAD-JAIQZWGSSA-N 439.236 5.424 30 10 IKEE Cc1ccc(-n2c(=S)sc3c(=O)n(-c4ccccc4)c(SCC#N)nc32)cc1C 3026452 MBDBTPGQSGCBEJ-UHFFFAOYSA-N 436.587 5.200 30 10 IKEE Cc1cccc(N/C=C2/C(=O)c3ccccc3N(Cc3ccc(Cl)cc3)S2(=O)=O)c1 20558942 YKQGSHWYOZVUKB-HMAPJEAMSA-N 438.936 5.135 30 10 IKEE CCOc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1cccc(OC)c1)C2 21226590 ITDHVNKHLITODG-VKGTZQKMSA-N 440.543 6.073 30 10 IKEE CC(C)Oc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(F)cc2)cc1 21251848 XFVUJLVVXCVFKG-MMTVBGGISA-N 442.534 6.592 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OC(=O)c4ccc(Br)cc4)ccc3C2=O)c1 35550287 ONJLXHPPHUQCDU-MTJSOVHGSA-N 435.273 5.593 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1OC 38320853 KHSSQXSPDRSNLE-JJFYIABZSA-N 436.847 5.193 30 10 IKEE C=CCOc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccccc2)cc1 39825604 GSCBGVQEKVDJQD-XMMPIXPASA-N 441.458 5.242 30 10 IKEE O=C1N/C(=N\N=C\c2ccc(-c3ccc(Cl)cc3)o2)S[C@@H]1Cc1ccc(Cl)cc1 39888062 ARYQXKHQZZKTEZ-QVHMZZSFSA-N 444.343 5.418 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 40078218 CQSYZIMFWPKOLL-XMMPIXPASA-N 449.591 6.151 30 10 IKEE C=C(C)C(=O)N[C@@H](C)c1nc2ccccc2n1CCCCOc1ccc(/C=C/C)cc1OC 40191204 CBEBEPKGVWIAHB-OJWOGGGRSA-N 447.579 5.691 30 10 IKEE C[C@@H](c1ccccc1)N1COc2ccc3c(c2C1)O/C(=C\c1cn(C)c2ccccc12)C3=O 41661827 UVRASTRIAFDJCZ-GFEOOXAPSA-N 436.511 5.708 30 10 IKEE O=C(CSc1n[nH]c(N/N=C/c2cccc(Oc3ccccc3)c2)n1)c1ccccc1 58994464 LOHMCJVJLCBPIK-BUVRLJJBSA-N 429.505 5.018 30 10 IKEE Cc1cccc(C)c1/N=C1\S/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1 100145399 ARBUPTTYLSOIQS-LPCFMYKTSA-N 429.501 6.020 30 10 IKEE CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(C)cc2)S/C1=N/c1nc(C)cs1 101129109 QQFPRDILOQWABQ-JFDXAFBFSA-N 449.601 5.963 30 10 IKEE CN1C(=O)/C(=C/c2c(F)cccc2Cl)S/C1=N/c1nc(-c2ccccc2)cs1 101130133 HNZZOKKGLLUPLT-YEKZGRKESA-N 429.929 5.836 30 10 IKEE COc1ccc([C@@H]2/C(=C(/O)c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccc(F)cc2)cc1 102490609 BRFUGELAKLJUHF-SADKCHQCSA-N 437.854 5.114 30 10 IKEE O=C1/C(=C\c2ccc(Cl)cc2)Oc2cc(OS(=O)(=O)c3ccc(Cl)cc3)ccc21 103022476 BAMTZYJMXSXREB-RGVLZGJSSA-N 447.295 5.377 30 10 IKEE O=C1C(=O)N(c2ccccc2)C(=N\c2ccccc2)/C(=N/c2ccccc2)N1c1ccccc1 103711036 ZWNJGNCJOKAGTH-IDDWGTJGSA-N 444.494 5.527 30 10 IKEE Cc1ccc(N/C=C2\C(=O)c3sccc3N(Cc3ccc(Cl)cc3)S2(=O)=O)cc1 105336659 HWQOTCFQQPERGT-XDHOZWIPSA-N 444.965 5.196 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccccc2C)cc1 169926495 IDWYQFVBHXWMPO-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccccc2C)cc1 169926508 YVYAZZPPRLDGNQ-DEOSSOPVSA-N 439.467 5.533 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccc(O)cc2)cc1 169960878 AVQWJNDQRVJGIR-DEOSSOPVSA-N 427.500 5.354 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccc(Cl)cc2)c1 169969729 QWTYOKYTESIZFZ-QHCPKHFHSA-N 431.919 6.048 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@H]1c1cccc(OC(C)C)c1 169981189 UMDQEQOLDZBEHC-XMMPIXPASA-N 449.547 5.177 30 10 IKEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@H]1c1cccs1)c1ccc(Cl)cc1 169989913 ZKFOIAUDFFFSIZ-SFHVURJKSA-N 435.892 5.061 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccccn2)cc1 169991883 ZTECWSJGOVLXEC-XMMPIXPASA-N 442.515 5.387 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2ccncc2)cc1C 170019032 DFDQQCAVUSSKMJ-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 170029471 UUSMYLQZYBONGA-XMMPIXPASA-N 445.490 5.624 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc3ccccc23)c1 170045563 ZKTVNAUXHVLVCI-XMMPIXPASA-N 439.467 5.220 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccccc2)cc1 170047842 FCUVVCYEYHYBMV-DEOSSOPVSA-N 426.516 5.098 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1ccc(F)cc1 170064109 GNMOCHWTMGQLDS-QHCPKHFHSA-N 437.417 5.206 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2c[nH]c3ccccc23)cc1 170073754 MFEVYFJYBXNRFD-QHCPKHFHSA-N 442.446 5.099 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2c[nH]c3ccccc23)c1 170074458 HATMHTOBIAFULD-XMMPIXPASA-N 438.483 5.268 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1c[nH]c2ccccc12)c1ccc(Cl)cc1 170074850 XAWHMKHHBFMPGM-JOCHJYFZSA-N 444.874 5.310 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1c[nH]c2ccccc12 170078382 BMMGOFSUWSIMGZ-XMMPIXPASA-N 444.531 5.396 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccccc2C)cc1 170088853 HPXTWQBOZHKYRF-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]2c2ccco2)cc1 170093857 YKZUYMCGPBGDJY-HXUWFJFHSA-N 441.405 5.644 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccc(C)c2)cc1 170139153 VXEXZQIXKYKEKP-HSZRJFAPSA-N 447.556 5.624 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C 170150263 ZNXSXPUWKSLQPX-DEOSSOPVSA-N 449.591 6.070 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2cccs2)cc1Cl 170155356 SSRSJSHIHCQECM-LJQANCHMSA-N 443.883 5.332 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2cccs2)c1 170156136 OKQJRXUNWQKEDZ-DEOSSOPVSA-N 443.568 6.027 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@@H]1c1cccs1 170156242 DRNDZRXIKIDHIR-JOCHJYFZSA-N 433.529 5.465 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C(C)(C)C)ccc3C)[C@@H]2c2ccccc2)cc1 170227235 XIFPXOFOFONINU-VWLOTQADSA-N 439.555 6.384 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(F)cc2)c(C)c1 170238467 IPCGOEKHHMERHE-QFIPXVFZSA-N 435.426 5.065 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(F)cc1 170240032 HKHQJRZEUGHISC-JOCHJYFZSA-N 435.426 5.065 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(C(C)C)cc2)c(OC)c1 170246157 UEYLZHMQVMQPTI-DEOSSOPVSA-N 449.547 5.348 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1ccccc1F 170249819 ODMYDTGGQOJQFH-GYCJOSAFSA-N 443.474 5.240 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccccc1C 170269930 GNNWTGLYINYTNR-JOCHJYFZSA-N 433.529 5.152 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(OC)ccc3Cl)[C@H]2c2ccco2)cc1 170283371 MZPWMIQCMDRNHB-OAQYLSRUSA-N 437.879 5.287 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2ccco2)c(C)c1 170289521 RRYIDLBNOCRBSV-QHCPKHFHSA-N 429.472 5.004 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccco2)c1 170296000 UKMCAQMZMSELEV-HSZRJFAPSA-N 449.478 5.232 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1sccc1C 170312773 SRFVWEGMGWAGBE-SFHVURJKSA-N 443.521 5.044 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2cn(C)c3ccccc23)c1 170394541 REBOBEFLQHMNIT-HSZRJFAPSA-N 426.472 5.171 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cccc(OC(F)(F)F)c2)c1 170458420 ZBHAFQZDXZCPRT-LJQANCHMSA-N 443.377 5.270 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)C(C)C)[C@@H]1c1ccc(C(C)(C)C)cc1 170468606 FCHKNDRUKVYZFH-NRFANRHFSA-N 425.956 6.071 30 10 IKEE Cc1cccc(N2C(=O)C(=O)/C(=C(O)\C=C/c3ccccc3)[C@@H]2c2ccc(Cl)cc2)c1 229055121 JJOJGHBTMVKRMC-MRBRUULISA-N 429.903 5.831 30 10 IKEE COc1ccc(N2C(=O)C(=O)/C(=C(O)/C=C\c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 229095595 VHZOHYRWKVKIDZ-PQVXQDNYSA-N 445.902 5.531 30 10 IKEE COc1ccc(C=NN=C2SC(=N/C(C)(C)C)/C(=N\C(C)(C)C)N2c2ccccc2)cc1 252621731 NFRLCTNVQZPKGY-ODILXBMFSA-N 449.624 6.033 30 10 IKEE COc1ccc(C=Nn2c(SC)nnc2C(F)F)cc1COc1ccc(Cl)cc1 263631700 NIRFWJXOEQCKEC-UHFFFAOYSA-N 438.887 5.061 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(C)c(Br)c1)NCC 407838916 ZHTOTSIZAMHEGH-RTBURBONSA-N 425.411 5.138 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccc(Cl)c2)cc1 526514846 HAHANIVLPFZESY-XMMPIXPASA-N 444.918 6.058 30 10 IKEE Cc1ccc(SC2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(C)cc3C)C2=O)cc1 526662780 LQZPMZGNYPGEHT-UHFFFAOYSA-N 439.540 5.473 30 10 IKEE Cc1ccc(SC2=C(Nc3ccccc3Cl)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 526663249 QABHDYZFTMUGAM-UHFFFAOYSA-N 445.931 5.509 30 10 IKEE CCOc1cc(/C=N\n2c(C)nnc2SCc2ccc(Cl)cc2)ccc1OC(C)C 526806746 SNIGFIDAACJBOR-CFRMEGHHSA-N 444.988 5.600 30 10 IKEE CCCCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccc(Cl)cc2)cc1 526807265 REMOGXVYRAXTJJ-IWIPYMOSSA-N 428.989 5.847 30 10 IKEE CCCOc1c(/C=N\n2c(C)nnc2SCc2ccccc2Cl)cccc1OC 526815570 CENHETMGFOQKFM-QRVIBDJDSA-N 430.961 5.212 30 10 IKEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1c[nH]c2ccccc12 526829523 NMEGDZGSBNUNKV-OYKKKHCWSA-N 434.525 5.185 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@H](C#N)c1ccc(Br)cc1F 698828353 PFYWBTNNWPFFGN-GOSISDBHSA-N 425.342 6.113 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@H](C#N)c1cc(Cl)ccc1Br 698829622 TUQVAIHQTZVYBT-GOSISDBHSA-N 441.797 6.627 30 10 IKEE COc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)cc1Br 698890528 VAIFAWXWNATWKI-KRWDZBQOSA-N 435.293 5.603 30 10 IKEE C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@]43C)[C@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)C2=O 1076011127 CMCWTYNIVZMUIH-IBQXDAJQSA-N 430.554 7.701 30 10 IKEE CCCCCCCCCCCCNC(=O)[C@@H]1CCC[C@@H]1C(=O)NCCCCCCCC 1082549256 AXHHOMACSHJFKN-LOSJGSFVSA-N 436.725 6.917 30 10 IKEE O=C(O)c1ccc(COc2ccccc2C=NNc2c(F)c(F)c(F)c(F)c2F)cc1 1084314153 FMDMFJTUKNZUKW-UHFFFAOYSA-N 436.336 5.105 30 10 IKEE CCCCCCCCCNC(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O 1860281532 IQGHCEZBANTQSZ-UHFFFAOYSA-N 425.569 6.264 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CC(C)C)NC(=O)/C=C/c1ccc(OC)cc1 1861078807 REXWAHCIKKGKFP-MMYRTMNYSA-N 430.633 5.496 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@@H]2c2cccc(Cl)c2)cc1 1862392148 QNRAWFUWHRTXKK-JOCHJYFZSA-N 425.956 6.061 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(Cl)c(Cl)c1 1862467004 FWPBYZYCCDSYBK-KRWDZBQOSA-N 444.236 5.399 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC(C)C)cc1 1862482080 JGGDGASQCBPLGG-DEOSSOPVSA-N 434.580 5.466 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862497159 CSGICAZGFPWFJY-HXUWFJFHSA-N 442.899 5.243 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccc(Cl)cc2)cc1 1862502492 BHVNNKHYBJLFRA-HSZRJFAPSA-N 449.909 5.874 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2c(Cl)cccc2Cl)cc1 1862538083 CUSCNXZWBLBKDW-HXUWFJFHSA-N 432.347 5.790 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862555354 DBDYBSBYFUUUIQ-DEOSSOPVSA-N 432.564 5.522 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862555474 FHTMGSRWVPDPDE-OSPHWJPCSA-N 426.516 5.171 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CCC(C)C)cc1 1862581158 ACQQTOFUTDZEJZ-FQEVSTJZSA-N 448.346 5.626 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccccc1C 1862613246 GGSUFRDEWMKHGQ-DEOSSOPVSA-N 433.592 6.451 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(O)cc1 1862649822 HLKZWETZWXAEOF-DWXRJYCRSA-N 449.506 5.885 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(C(C)C)cc1 1862651095 LHDXKXGMIULWAE-SANMLTNESA-N 441.571 6.588 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccccc2F)cc1 1862662075 HAIKQFLSNLKCPZ-CUHUQNRHSA-N 435.539 6.106 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccc(F)cc2)cc1 1862663792 WXXZHCWUSWTCPT-VWLOTQADSA-N 447.550 6.418 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(OCC)c(OCC)c1 1862671950 WOQHFYAUDHPCFE-XMMPIXPASA-N 449.547 5.372 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(Cl)c2)cc1 1862675777 TYXZSHOQWWIQRN-QFIPXVFZSA-N 435.882 5.566 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2ccccc2F)cc1 1862686814 BWZACBBKSSXXDS-XMMPIXPASA-N 445.490 5.230 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2C(C)C)c1 1862723917 HOEBTBWXKCPUKU-XMMPIXPASA-N 427.500 5.349 30 10 IKEE Cc1cccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3cc(Cl)ccc3Cl)C2=O)c1 1863013012 NBZGEEFRSUZIMI-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE C=CCN1C(=O)C(Nc2cc(C)c(C)cc2Br)=C(c2ccc(C)c(C)c2)C1=O 1863258227 NTQBEKCIBLBMRQ-UHFFFAOYSA-N 439.353 5.061 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(N(CC)CC)cc2C)=C(c2ccc(OCCC)cc2)C1=O 1863345345 PPBSVMIQALHOBR-UHFFFAOYSA-N 447.579 5.008 30 10 IKEE CCc1nc(Nc2cccc(C#N)c2)cc(N2CCC[C@H]2c2ccc(C(F)(F)F)cc2)n1 1868268160 BRQWUODXSVDIOS-FQEVSTJZSA-N 437.469 6.015 30 10 IKEE CCCCCCCCCCNC(=O)c1cn(-c2cccc(C(C)(C)C)c2)c(=O)cc1O 1870133457 YTTGHEHWQGVVKH-UHFFFAOYSA-N 426.601 5.711 30 10 IKEE CCCCCCCOc1cn(CCCOC(C)C)c(CNc2cccc(OC)c2)cc1=O 1870837555 LVPGZLXYLKOMMM-UHFFFAOYSA-N 444.616 5.633 30 10 IKEE Cc1ccccc1Cn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccccc1 1871250823 YEZKHPWGIKMDCC-UHFFFAOYSA-N 435.527 5.268 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCC(C)C)C4)cc1 1871352830 DXSNUSLDJFLWRI-IWIPYMOSSA-N 434.580 5.655 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1cccc([N+](=O)[O-])c1)C3=O)CN(C1CCCCCC1)CO2 1871353364 NPOUAEGWEWXKPS-UUYOSTAYSA-N 434.492 5.394 30 10 IKEE C[C@@H](N1COc2ccc3c(c2C1)O/C(=C\c1ccco1)C3=O)C12CC3CC(CC(C3)C1)C2 1871354028 FETZUKNGTQDNEM-ROBOKPCWSA-N 431.532 5.653 30 10 IKEE Cc1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871367151 WIDXVSDXCLNZJS-TZOKSIDISA-N 430.887 6.192 30 10 IKEE Cc1cc(OC(=O)CCCOc2ccccc2)cc2c1C(=O)/C(=C/c1ccccc1Cl)O2 1871371221 KVAREFCZHLZPDU-HAHDFKILSA-N 448.902 6.029 30 10 IKEE Cc1c(OCCc2ccccc2)ccc2c1O/C(=C\c1ccccc1Br)C2=O 1871400329 WQCIUSGSJQOZHQ-JCMHNJIXSA-N 435.317 5.995 30 10 IKEE COc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccccc1C)C2=O 1871411422 MWQHNPUSYFLAGE-YNJLWJOVSA-N 443.499 5.334 30 10 IKEE Cc1cc(OCCOc2ccc(Cl)cc2)cc2c1C(=O)/C(=C/c1ccccc1Cl)O2 1871413280 XKORAPWWFZFQPJ-XKZIYDEJSA-N 441.310 6.376 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccccc1)C2=O 1871430972 OOVQXIWLOOKSTN-IQJJTXKVSA-N 427.500 5.634 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccc(Cl)cc4C)c3C)C2=O)o1 1871454127 BTBHXQQNXFJWTE-NHDPSOOVSA-N 437.879 5.492 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccccc4F)c3C)C2=O)cc1 1871460187 ZLIJPYHEOZPYEW-UCQKPKSFSA-N 431.463 5.330 30 10 IKEE C=CCN([C@@H](CC(C)C)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1 1872453531 ULPZNZFIEZFJSO-QFIPXVFZSA-N 449.016 5.187 30 10 IKEE N#C[C@H](C(=O)c1cc2ccccc2oc1=O)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872759391 MZXBGMLCURZEEC-JOCHJYFZSA-N 448.503 6.074 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-n4cccc4)cc3)n2)cc1 1872769924 DCRZJXWUEXDYSL-QFIPXVFZSA-N 427.529 5.880 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@H](C#N)C(=O)c2ccc(Cl)c(Cl)c2)n1 1872781524 WGSIDHOUPKEZHR-OAHLLOKOSA-N 431.344 6.232 30 10 IKEE CCOc1ccc(CC(=O)[C@H](C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1 1872783737 GRPWOQZCWPYYLH-SFHVURJKSA-N 440.952 5.598 30 10 IKEE N#C[C@H](C(=O)Cc1cc(Cl)ccc1Cl)c1nc(-c2ccc(Cl)s2)cs1 1872789266 CGUUWGMKWMSMHT-LLVKDONJSA-N 427.765 6.251 30 10 IKEE CCCCCCCCNC1=C(c2c(C)cc(C)cc2C)C(=O)N(Cc2ccccn2)C1=O 1873121294 WOQSOAWLVMCFAA-UHFFFAOYSA-N 433.596 5.237 30 10 IKEE OCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1cccc2ccccc12 1874244918 OUUQFJCOTRZNGM-WPWMEQJKSA-N 446.620 5.157 30 10 IKEE Cc1ccccc1CSc1nnc(CCCOc2ccccc2C)n1/N=C/c1ccco1 1874249319 XQGULMTVTPMQJO-YZSQISJMSA-N 446.576 5.674 30 10 IKEE Clc1ccccc1CCc1nnc(SCc2ccccc2)n1/N=C/c1cccs1 1874278858 HDGOFIMWUKSARI-BUVRLJJBSA-N 439.009 5.953 30 10 IKEE Clc1ccccc1CCc1nnc(SCCc2ccccc2)n1/N=C/c1ccncc1 1874279160 WSWQVTBWLYBTBC-OVVQPSECSA-N 447.995 5.329 30 10 IKEE COc1cccc(CCc2nnc(SCc3ccccc3)n2/N=C/c2sccc2C)c1 1874310359 RJWUKHQJTCWKDP-PCLIKHOPSA-N 448.617 5.616 30 10 IKEE Fc1ccccc1/C=N/n1c(CCOc2ccccc2)nnc1SCc1ccccc1 1874347436 OCFQKFIJECOSFI-YZSQISJMSA-N 432.524 5.213 30 10 IKEE Cc1ccc(/C=N/n2c(COc3ccccc3)nnc2SCc2ccccc2C)cc1 1874383026 ULRIKZOCKSSFBE-WGOQTCKBSA-N 428.561 5.648 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCC)nnc2[C@@H](C)c2ccccc2)cc1OC 1874396539 KKYGLDQQOSXEJX-WLXKGNRNSA-N 438.597 5.612 30 10 IKEE Cc1ccc(CSc2nnc(Cc3cccs3)n2/N=C/c2ccc(F)cc2F)cc1 1874411446 UGGCPWSJHCPHQC-DHRITJCHSA-N 440.544 5.692 30 10 IKEE COc1cccc(/C=N/n2c(Cc3cccs3)nnc2SCc2cccc(F)c2)c1 1874411943 SMGKVZSDRNXOTL-ZVHZXABRSA-N 438.553 5.253 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2ccncc2)cc1Cl 1874430695 UCBCDKDJVNSQJL-DHRITJCHSA-N 440.359 5.821 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1cccc(Cl)c1 1874480550 BSVWNGNDUDIGPG-WYMPLXKRSA-N 437.371 6.241 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1c(F)cccc1Cl 1874491508 VDCUAKDVBCYHNB-BHGWPJFGSA-N 437.371 6.097 30 10 IKEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1cn(C)c2ccccc12 1874535170 AZHSUETWHNXELM-AUEPDCJTSA-N 430.364 5.560 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/n2c(S)nnc2CCCC)cc1OCC 1874559576 ZQNOKEKGJFWTOS-NCELDCMTSA-N 446.661 6.320 30 10 IKEE Cc1ccc(C)c(OCc2nnc(S)n2/N=C/c2cccc(Oc3ccccc3)c2)c1C 1874566887 SOJKYPUGLGHDBN-CVKSISIWSA-N 444.560 5.746 30 10 IKEE CCOc1ccc(/C=N/n2c(S)nnc2CCCOc2cc(C)c(Cl)c(C)c2)cc1 1874570698 DYWFYGLDKZBXFH-ZVHZXABRSA-N 444.988 5.130 30 10 IKEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(F)c(F)c1)NC1CCCCC1 1874585354 UGPNJHVJMWJPMY-JXMROGBWSA-N 433.882 5.342 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OC)c1OCc1ccccc1Cl 1874592252 GDXZGNZKIDJRRX-ZRDIBKRKSA-N 443.326 6.486 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3ccc(C)cc3C)c2)cc1 1874594096 RZULWEPSDRAMMT-NTEUORMPSA-N 443.543 5.788 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3cccc(C)c3C)c2)cc1 1874595051 RENXMFGHDFDGFU-RIYZIHGNSA-N 445.515 5.234 30 10 IKEE C=CCOc1c(OC)ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)c1Br 1874599511 PVINIEOLTUCERF-CSKARUKUSA-N 429.354 6.152 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc1OCc1cccc(F)c1 1874600305 FKMBAEPMNZPCQK-VQHVLOKHSA-N 440.898 6.280 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc3ccccc23)c([N+](=O)[O-])c1)c1ccccc1Cl 1874608934 OQPPAUXAKSFZHR-WYMLVPIESA-N 443.886 6.877 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1 1874614625 VUQLSYDQVKALRS-ZRDIBKRKSA-N 449.934 5.879 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 1874621995 GOZFLCXYVRRYDR-RIYZIHGNSA-N 439.382 7.766 30 10 IKEE C=CCOc1c(OCC)cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc1[N+](=O)[O-] 1874626049 JQKUSMLSQWDHHK-PKNBQFBNSA-N 439.508 5.761 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C)cc3C)c2)cc1 1874702202 KOFWPSCMLXPVJT-FOWTUZBSSA-N 428.528 6.273 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1OC(=O)c1cncc(C)c1 1874702249 LUWYOAXRCHVYPZ-XVNBXDOJSA-N 442.298 5.821 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1OC(=O)[C@@H]1CCCO1 1874712898 VPCLWZYLQNGACJ-RBZVCHSGSA-N 444.483 5.468 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3cc(C)ccc3C)c2)cc1Cl 1874716761 ITCRWHXRMPRRSS-PKNBQFBNSA-N 434.919 6.010 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3C)c(Cl)c2)cc1 1875100212 TXSOCZKITKWOKM-XNTDXEJSSA-N 432.947 6.645 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccccc2OC)cc1OCC 1875119356 PRNVSULNAZWBPK-CCEZHUSRSA-N 444.955 6.519 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)C(F)(F)F 1875122182 HEUINRWUSNALDP-VMPITWQZSA-N 426.337 5.066 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc3cc(Cl)ccc3n2)c(Cl)c1)c1ccccc1 1875127896 DLHXXHHPSHRINY-WUXMJOGZSA-N 448.305 6.657 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)COCc3ccccc3)c(Cl)c2)c1 1875139549 NNJHYNTZBVFNKR-ZRDIBKRKSA-N 434.919 5.975 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(C)c3)cc2OC)c1 1875142506 GYSSCYVQHXRQPZ-KPKJPENVSA-N 448.490 5.586 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3cccs3)c(OC)c2)cc1F 1875152529 OXHFKIFOQIBQCO-SOFGYWHQSA-N 442.464 5.028 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc1 1875152530 OYLYBZBMLGHJQA-GXDHUFHOSA-N 434.463 5.277 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)Cc1ccccc1 1875160317 JTWYYPZFJCDHLV-JXMROGBWSA-N 442.845 5.671 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C2CCCC2)c([N+](=O)[O-])c1)c1cc(Cl)ccc1Cl 1875189451 QQANGXGABXNTSZ-WEVVVXLNSA-N 434.275 5.893 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)COc3ccccc3)c(OC)c2)cc1C 1875191487 OPEXJUNIYMNLSK-ZRDIBKRKSA-N 446.499 5.201 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N(CCC)CCCC)n2CCCC 1875213477 YWKPRRFWODWMJV-UHFFFAOYSA-N 443.680 6.656 30 10 IKEE C#C[C@H]1CC12CCN(C(=O)c1ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c1)CC2 1892110635 XJLTYDDILDBZKW-DEOSSOPVSA-N 443.550 5.839 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CC[C@H]2NC(=O)OCc2ccccc2)c1 1959029445 FGQLMQADXUFLCK-PXDATVDWSA-N 435.524 5.088 30 10 IKEE C=CC1(C[C@H](N)CC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)CCC1 2002634617 UXYJIABUZOCDNM-QFIPXVFZSA-N 427.633 5.010 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@]2(C)CCCN2C(=O)OC(C)(C)C)cc1 2076988691 LVLVHKLSBZNHDU-CYFREDJKSA-N 445.560 5.118 30 10 IKEE C=CCC1(Oc2ncc(Cl)cc2Br)CCN(C(=O)OC(C)(C)C)CC1 2078100519 ZTNGFDPJJUGYDI-UHFFFAOYSA-N 431.758 5.222 30 10 IKEE Cc1ccc([C@@H](C2CCC2)n2nc(C(C)C)c(C#N)c2I)cc1F 2079088462 COYZXCCRDLBIQD-GOSISDBHSA-N 437.300 5.320 30 10 IKEE Cc1cc(C)c([C@H](C2CC2)n2nc(C(C)C)c(C#N)c2I)c(C)c1 2079992395 CNVNSTUVJVZSLR-IBGZPJMESA-N 433.337 5.407 30 10 IKEE C[C@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)F)c(C=NO)c1Br 2079993573 UFTLOCDIOTXKLE-ZCFIWIBFSA-N 430.146 5.159 30 10 IKEE COc1ccc([C@H](n2nc(C(C)C)c(C#N)c2I)C(C)(C)C)cc1 2080022212 HBONZNUTJITBAE-KRWDZBQOSA-N 437.325 5.127 30 10 IKEE CC(C)(C)c1nn([C@@H](c2ccc(C(F)(F)F)c(F)c2)C2CCC2)c(Cl)c1C=NO 2080054147 YWDBVTIOFIXPFR-MRXNPFEDSA-N 431.861 6.190 30 10 IKEE CCCOc1ccc([C@@H](C(C)C)n2nc(C(F)F)c(C=NO)c2Br)cc1 2080087125 HUDZRTVURIQHIW-MRXNPFEDSA-N 430.293 5.426 30 10 IKEE C=CCN(C[C@@H](Cc1ccc(Cl)c(Br)c1F)NCC)C(=O)OC(C)(C)C 2110508180 AASOVFCTFPFWQD-CQSZACIVSA-N 449.792 5.185 30 10 IKEE N#C[C@H](Nc1cccc(F)c1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134726269 SFBZSFRUSXIBMW-SANMLTNESA-N 438.502 6.660 30 10 IKEE CCCCC#CC[C@@H](NCC)c1cc(I)ccc1Br 2138989822 HKABMGSAFWUHBE-MRXNPFEDSA-N 434.159 5.288 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(Nc3ccc(C#N)c(Br)c3)CCCCC[C@@H]12 2162344588 WVAOLVTZIDTQEM-NQIIRXRSSA-N 434.378 5.445 30 10 IKEE CCN(c1cc(Br)cc(C#N)c1)[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 2174809217 XOGVYVLDYVHCIT-QFBILLFUSA-N 436.394 5.231 30 10 IKEE C=CCN(CC(=C)Br)C(=O)[C@@H](CNC(=O)OC(C)(C)C)CC1CCCCC1 2180912445 NIIIAAXSZJITPX-GOSISDBHSA-N 443.426 5.021 30 10 IKEE CC#CCCCC[C@@H](NCCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2196175381 XPGOXEZRJLWJEE-HXUWFJFHSA-N 437.422 6.421 30 10 IKEE C=CCCCCCCC[C@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NC 2214613653 POMOPXQBLYQWBQ-RPWUZVMVSA-N 432.649 5.991 30 10 IKEE C=CCCCCCCC[C@@H](N)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2220083354 FUEORKYXNZLFDW-SQHAQQRYSA-N 444.660 6.074 30 10 IKEE CC(C)(C)OC(=O)Nc1cc([C@@H](N)C#Cc2ccccc2Br)ccc1Cl 2227492785 GULMCSYPAGIXHW-KRWDZBQOSA-N 435.749 5.501 30 10 IKEE C=C(C)CC[C@H](NCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2229122089 CSMLGMPWCDZNPZ-OALUTQOASA-N 425.411 5.219 30 10 IKEE CCCCCCCCC[C@@H](CO)N(C(=O)OCc1ccccc1)c1ccccc1Cl 2235444988 OAPIWBVWMLZTGK-QFIPXVFZSA-N 432.004 6.985 30 10 IKEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc([C@H](O)C#Cc2ccccc2Br)cc1 2235742276 XIUIYIHKTRNLEW-FOIQADDNSA-N 430.342 5.120 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1C[C@@H]2C[C@H](C1)CN(C(=O)OC(C)(C)C)C2 2258605981 XNLKXJMIPMCEKE-WSOYEBOPSA-N 442.644 5.411 30 10 IKEE C=CCCC1(C(=O)c2c(F)ccc(F)c2Br)CN(C(=O)OC(C)(C)C)C1 2266235380 MGYQWCPCQULZOA-UHFFFAOYSA-N 430.289 5.113 30 10 IKEE C=C(C)CCCC[C@H](NCC)c1ccc(Br)cc1I 2271792386 UNUYUAXCHISVQJ-INIZCTEOSA-N 436.175 5.841 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1c1c(Br)cccc1C#N 2285220770 NPDOXZBMHAKDQG-QZTJIDSGSA-N 434.378 5.079 30 10 IKEE CCCC1(CNc2c(Br)cccc2C#N)CCN(C(=O)OC(C)(C)C)CC1 2285241278 JUVQKVWKYQTAOE-UHFFFAOYSA-N 436.394 5.550 30 10 IKEE C[C@H](NC(=O)OC(C)(C)C)c1ccc([C@H](N)C#Cc2ccc(Br)cc2)cc1 2296301541 VRWBFHDRDZYSGO-MGPUTAFESA-N 429.358 5.086 30 10 IKEE CCCCOc1ccc(C(=O)C(=Cc2ccc(OC)cc2)c2nc3ccccc3o2)cc1 2296696712 SHQPBAVHNOIMNH-UHFFFAOYSA-N 427.500 6.439 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)C(=C(O)c4ccco4)[C@H]3c3ccc(C)cc3)sc2c1 2296776305 FLFRERCQPCCDRT-OAQYLSRUSA-N 444.512 5.386 30 10 IKEE COc1cc(C=C2CCC(=Cc3ccc(OC(C)C)c(OC)c3)C2=O)ccc1OC(C)C 2296909363 BPFXIWBXTKYKNV-UHFFFAOYSA-N 436.548 6.108 30 10 IKEE C=CCOc1c(Br)cc(C=C2C=C(c3ccc(C)cc3)OC2=O)cc1OCC 2297550897 AVNHCWWXQPZKDM-UHFFFAOYSA-N 441.321 5.702 30 10 IKEE CCN1C(=O)C(=C2Sc3ccccc3N2C)SC1=Nc1ccc2sc(C)nc2c1 2297707887 WBICKEASKIFVFD-UHFFFAOYSA-N 438.603 5.599 30 10 IKEE O=[N+]([O-])c1ccc2c(C=Nc3ccc4oc(-c5ccccc5F)nc4c3)c(O)ccc2c1 2297708347 YKMRHKROJKTGSX-UHFFFAOYSA-N 427.391 6.152 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@H](C#N)[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 2304178419 BJFBZIRKRHTPHK-MSOLQXFVSA-N 447.601 5.167 30 10 IKEE O=C1C(=Cc2ccc([N+](=O)[O-])cc2)SC(=Nc2ccncc2Cl)N1C1CCCCC1 2314543211 YEEDSDGXGNBKSH-UHFFFAOYSA-N 442.928 5.580 30 10 IKEE Cc1ccc(C)c(CN2COc3cc(C)c4c(c3C2)OC(=Cc2ccc(Cl)cc2)C4=O)c1 2322170922 NZQRCDNJOYLNIU-UHFFFAOYSA-N 445.946 6.234 30 10 IKEE CCCCCCCCN1COc2ccc3c(c2C1)OC(=Cc1ccc(C(C)C)cc1)C3=O 2322188390 QSZVPSFWSXOGIR-UHFFFAOYSA-N 433.592 6.939 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc4c(c1)OCO4)C3=O)CN([C@@H]1CCCC[C@H]1C)CO2 2322391648 LKHJUWMNFFEARM-FOIQADDNSA-N 433.504 5.071 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OC(=O)Cc4ccccc4)cc(C)c3C2=O)cc1 2322886608 IZRHDRIEVCSSTR-UHFFFAOYSA-N 441.527 5.606 30 10 IKEE CCCN(CCC)C(=O)COc1cccc(C=CC(=O)c2cccc(Br)c2)c1 2323097901 IINSXNJAFBSQFV-UHFFFAOYSA-N 444.369 5.373 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(OC(=O)C=Cc3ccc(Cl)cc3)c2C)C1=O 2323328106 ZOOWAEXSDULHDS-UHFFFAOYSA-N 436.916 6.253 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OC(=O)C=Cc4cccs4)c3C)C2=O)c(OC)c1 2323519039 FCJIJRWNEJZCDX-UHFFFAOYSA-N 448.496 5.309 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4cc5ccccc5oc4=O)cc(C)c3C2=O)cc1 2323562269 AYIHMWKLRJYRAM-UHFFFAOYSA-N 438.435 5.245 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OC(=O)C=Cc3ccc([N+](=O)[O-])cc3)ccc2C1=O 2323594953 WSGKVOIZRHNUEF-UHFFFAOYSA-N 433.441 5.200 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 2323812971 KTIHFVIAYHSWFH-UHFFFAOYSA-N 449.934 5.961 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4cc(Cl)ccc4C)ccc3C2=O)cc1 2324510289 LHIGFULTRUYDQX-KRWDZBQOSA-N 447.918 5.979 30 10 IKEE COc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1OC 2324719072 PVABOHPCQJYXQJ-HXUWFJFHSA-N 446.572 5.951 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1cccc(OCCC)c1 2325532649 CCYSFJIUWHAHBI-UHFFFAOYSA-N 443.016 6.237 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)cc2c1C(=O)C(=Cc1ccco1)O2 2325541076 RZTDDTUTILTXPZ-UHFFFAOYSA-N 443.377 5.241 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cccc4ccccc34)c2)c1 2325706538 JEBIBDITQIKAIW-UHFFFAOYSA-N 438.479 5.972 30 10 IKEE CN(C)c1ccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4Cl)ccc3C2=O)cc1 2325717770 HNEQGYTXLQBQBD-UHFFFAOYSA-N 448.906 5.040 30 10 IKEE COc1ccccc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1sccc1C)C2=O 2325736448 AXZZTEKPRYGDHP-UHFFFAOYSA-N 435.501 5.007 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OC(=O)Cc1cc(C)ccc1C 2325750237 RIOACFSVNDITKY-UHFFFAOYSA-N 442.555 6.480 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)ccc2OC)cc1OC(=O)c1cccc(F)c1 2325779755 SBNMJVMITUEAHS-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE CCSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1ccc(F)cc1 2325908374 MBNHRRQBPRUQGZ-UHFFFAOYSA-N 425.316 5.297 30 10 IKEE CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccc(OC)cc1OC 2326900807 LMOLWIWSWWSCMK-UHFFFAOYSA-N 440.613 5.048 30 10 IKEE Fc1ccc(CSc2nnc(CCc3ccccc3Cl)n2N=Cc2ccco2)cc1 2327929334 PNYDSTRSLSYOQG-UHFFFAOYSA-N 440.931 5.623 30 10 IKEE C=CCSc1nnc(CCc2ccccc2C)n1N=Cc1c(Cl)cccc1Cl 2329499922 ZPTVUSGRYOFRME-UHFFFAOYSA-N 431.392 5.839 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCCc2ccccc2)n1N=Cc1ccc(O)c(O)c1 2330115514 TZXGYJIZWQIRPW-SFHVURJKSA-N 444.560 5.058 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(-c2cccs2)n1N=Cc1ccccc1 2330621706 OGAKYGGECUACIV-UHFFFAOYSA-N 428.945 5.974 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2cccc(OC)c2)cc1[N+](=O)[O-] 2330786167 ZPNVCEVRSODWIF-UHFFFAOYSA-N 439.508 6.156 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3cccc(OC)c3)cc2OC)cc1 2330799778 BCSBMROMUKYCFQ-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE Cc1ccc(CSc2nnc([C@@H]3CCCO3)n2N=Cc2ccc(Cl)c(Cl)c2)cc1 2330888743 UFDPLJBKEXHPOR-IBGZPJMESA-N 447.391 5.919 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3cncc(C)c3)c(OC)c2)cc1 2330951998 NBFUQIACENHKCJ-UHFFFAOYSA-N 437.879 5.176 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)C12CC3CC(CC(C3)C1)C2 2331165028 MNEOPTOBFFLYJQ-UHFFFAOYSA-N 446.543 5.722 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccco3)n2N=Cc2ccccn2)cc1Cl 2331225391 OTLIKJGKPGNHST-UHFFFAOYSA-N 430.320 5.414 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1ccc(CC)cc1 2331445672 ZCFPFDIEAUVSPN-UHFFFAOYSA-N 444.483 5.492 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(N(C)C)cc1 2331467090 DMQKQORENXOVED-UHFFFAOYSA-N 428.005 5.371 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2ccccc2Cl)nnc1C1CCC1 2331523726 UICJFHRQXGLFMX-UHFFFAOYSA-N 441.000 6.162 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)[C@H](C)c3ccccc3)cc2)cc1C(C)C 2331573751 JWADMWLWABILFT-OAQYLSRUSA-N 442.555 6.732 30 10 IKEE CCCOc1ccccc1C=Nn1c(COC)nnc1SCc1ccccc1Cl 2331578000 ZXABXUUKSPWXAI-UHFFFAOYSA-N 430.961 5.041 30 10 IKEE CCCC(=O)Oc1c(OC)cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1OC 2331592502 RIQBZGCPIOQABD-UHFFFAOYSA-N 446.499 6.098 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2ccccn2)c(Cl)c1 2331755362 FJQSXGXZAQXTDM-UHFFFAOYSA-N 442.298 5.821 30 10 IKEE N#Cc1cc(F)c(Oc2cc(Br)cc(Br)c2)cc1Br 2338715580 UFFGPUXARJVQOV-UHFFFAOYSA-N 449.899 5.777 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)cc1 2339603319 YDUSHAGMUCOHQL-CCEZHUSRSA-N 437.349 5.817 30 10 IKEE Cc1cc(CNc2ccc(NC(=O)OC(C)(C)C)cc2)ccc1B1OC(C)(C)C(C)(C)O1 2343585082 MXWJRSKJSQLVCG-UHFFFAOYSA-N 438.377 5.253 30 10 IKEE CC1(C)OB(C=Cc2ccc(Nc3ccc(Cl)cc3Br)nc2)OC1(C)C 2365100777 HMQNRMDJYPJOFM-UHFFFAOYSA-N 435.558 5.886 30 10 IKEE Cc1cc(C#N)ccc1COc1cc(NC(=O)OC(C)(C)C)c(C)cc1Br 2370451958 SBEURYNSLHEDKK-UHFFFAOYSA-N 431.330 5.864 30 10 IKEE N#Cc1c(NC(=O)c2cc3ccccc3oc2=O)oc(-c2ccccc2)c1-c1ccccc1 8766541 AQEONDKIIAXQOB-UHFFFAOYSA-N 432.435 5.844 30 10 IKEE CC1(C)CC(=O)C2=C(C1)N(c1cccc(F)c1)C1=C(C(=O)CC(C)(C)C1)C2c1cccs1 9775613 XMJOAAFGWLHBKX-UHFFFAOYSA-N 449.591 6.777 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)c1 20158632 IIZPNROJYRKYFM-UHFFFAOYSA-N 426.582 5.894 30 10 IKEE Cn1cc(/C(Cc2ccccc2)=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21 20428366 LRQSMSLRTBSDOL-DAFNUICNSA-N 429.436 5.054 30 10 IKEE CCc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1 21251069 VZPYQSLCKSSJAP-CCLHPLFOSA-N 428.963 6.882 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1Cl)C2=O)c1ccc(F)cc1 35550466 OYGFLYMSTHKVMZ-GRSHGNNSSA-N 429.230 5.968 30 10 IKEE CN(Cc1ccccc1)Cc1c(O)ccc2c1O/C(=C/c1ccc(Cl)cc1Cl)C2=O 37857364 KLJAKCYBBICKAM-SSDVNMTOSA-N 440.326 5.947 30 10 IKEE CCOc1ccccc1N=C1SC[C@@H](C)N1C(=O)CC(c1ccccc1)c1ccccc1 96585787 KUIFEZJFZVKLAD-HXUWFJFHSA-N 444.600 6.259 30 10 IKEE CC(C)c1ccc(/C=C2/S/C(=N/Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1 100082018 DPDSYBKOAZMJIH-JMCHZZBBSA-N 426.585 6.483 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S/C1=N/c1cccnc1 101124782 KCHUZBYDWFQPIY-GKOYHKHUSA-N 449.963 5.938 30 10 IKEE O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 105559546 KTQQFGVJLGYUOX-UHFFFAOYSA-N 437.283 5.544 30 10 IKEE CCCCO[C@H]1Oc2ccc(C)cc2C(=O)/C1=C\Nc1nc2c(Cl)cccc2s1 109206790 IDRMWPKNUVIWBO-NKSQBSFPSA-N 428.941 5.972 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccc(O)cc2)c1 169961680 UPQCIVWVMYZJPF-JOCHJYFZSA-N 433.891 5.445 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@@H]1c1cccc(C)c1 169970653 VFDVEEPDJQBSDL-VWLOTQADSA-N 427.500 5.106 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(OC(C)C)cc2)cc1 169979392 GHYGZBJLTDYHRI-HSZRJFAPSA-N 435.520 5.003 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(O)c(Cl)c2)cc1C 170041366 VRQANWVIQXBIAN-NRFANRHFSA-N 437.879 5.034 30 10 IKEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4ccc(F)c(C)c4)[C@@H]3c3ccccc3)nc2c1 170056036 RFKVLQKJKUTXAY-QFIPXVFZSA-N 441.462 5.102 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 170056765 KHYYPKWQHGDXOM-LJQANCHMSA-N 444.339 5.833 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccc(Cl)cc2)c1 170058763 NWLVUSKKITZKHF-QFIPXVFZSA-N 432.907 5.130 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccccc2F)c1 170071344 RFCYONXHRPEZCE-HSZRJFAPSA-N 426.447 5.097 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2cccc(O)c2)cc1C 170081424 ZPTCOAGPPIRKCH-QFIPXVFZSA-N 433.891 5.445 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2cccs2)cc1OC 170160692 OGYIBMGBEQJCNU-QFIPXVFZSA-N 449.528 5.165 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccccn2)c1C 170172796 APZUAFDCSUXZSC-RUZDIDTESA-N 434.495 5.635 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@H]1c1cccnc1 170195886 ZWLKQXKETXWTIO-JOCHJYFZSA-N 436.552 5.156 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2ccccc2)cc1C 170229255 DRISZTLSOMIPRQ-QHCPKHFHSA-N 449.453 5.455 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccc2F)c1 170247779 NZJPNGZJXOVECU-QHCPKHFHSA-N 449.453 5.535 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccccc2F)cc1C 170248944 IEGABDPWGDWQTB-QHCPKHFHSA-N 447.462 5.021 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2ccccc2O)o1 170301062 PWTXKDBZCFXGNB-HSZRJFAPSA-N 425.440 5.230 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cc4cc(Cl)ccc4o3)=C(O)C(=O)N2Cc2ccco2)o1 170307124 NAJKHVJOWVXUQZ-HXUWFJFHSA-N 437.835 5.359 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@H]1c1ccc(C)o1 170309226 UIEICEZMXLOZNV-GOSISDBHSA-N 432.314 5.037 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2sccc2C)cc1OC 170315450 RROGJXUXGQUOEO-NRFANRHFSA-N 449.528 5.165 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2OCC)[C@@H]1c1sccc1C 170318664 UUKSPFACQWZMKV-HXUWFJFHSA-N 443.565 5.232 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C(C)(C)C)cc2)cc1 170326335 ZXTLMILGPVVEKT-DEOSSOPVSA-N 441.527 5.776 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Br)c3)[C@@H]2c2ccccc2)cc1 170373398 QNVRJBLUXOHXGC-OAQYLSRUSA-N 448.316 5.540 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2cccc(C)c2)cc1OCC 170459477 UBTUIYOZDLPNCP-HSZRJFAPSA-N 447.487 5.168 30 10 IKEE CC(=O)Nc1cccc(N2C(=O)C(O)=C(C(=O)C(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 170470524 WWHBINDNMGYFPI-QFIPXVFZSA-N 434.536 5.068 30 10 IKEE CC(C)c1cccc(OCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c1 170494071 ZYSJFAQCVNHTLU-UHFFFAOYSA-N 436.511 6.626 30 10 IKEE C=CCn1c(SCCCCOC(=O)c2ccccc2)nnc1-c1ccc(Cl)cc1 253568934 LVMQEZSCCZNZKC-UHFFFAOYSA-N 427.957 5.514 30 10 IKEE C=CCCCCC[C@H](NCCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 406316529 PBRVVQMENKWAQU-IBGZPJMESA-N 439.438 6.973 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3ccc(Cl)c(Cl)c3)[C@H]2c2cccs2)c1 526519239 APGIZQPBYJKYLY-LJQANCHMSA-N 427.312 5.984 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2c[nH]c3ccccc23)c1 526603264 BSKUJZZCTCLINN-SANMLTNESA-N 449.510 5.886 30 10 IKEE COc1ccccc1/C=N\n1c(CCc2ccccc2)nnc1SCc1ccccc1 526799593 HGQPEJMOTOTAJG-ITYLOYPMSA-N 428.561 5.246 30 10 IKEE CCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1ccc(OC)c(OC)c1Cl 526811192 DOYPUOXCKWZETF-MSXFZWOLSA-N 444.988 5.302 30 10 IKEE CCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1ccc(C(C)(C)C)cc1 526828987 QNFGKWDMDOVXTB-IWIPYMOSSA-N 437.569 5.611 30 10 IKEE Cc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)Cc2cccc(C(F)(F)F)c2)cc1 586119241 BVLYTXRAGQMABK-UHFFFAOYSA-N 444.478 5.277 30 10 IKEE C[C@H]1CCc2c(sc3ncnc(Nc4cccc(OCc5ccc(C#N)cc5)c4)c23)C1 586473073 RAGCKTYUXIORRS-INIZCTEOSA-N 426.545 6.010 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@@H](C#N)c1ccc(Br)cc1F 698968836 WTBSTTNTZLWZDB-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE Cc1cccc(OCCSc2nc3ccc(N=Cc4ccc(Cl)cc4)cc3s2)c1 1084486696 KDPDMSKDHJQURK-UHFFFAOYSA-N 439.005 7.180 30 10 IKEE C=CC[C@@H]1CCN(C(=O)[C@@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)C1 1540089587 LSGPGVDCMYUETG-HZPDHXFCSA-N 439.606 5.110 30 10 IKEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1Nc1cnn([C@H]2CC2(F)F)c1 1705793228 QCLWUHINYJFYIY-IBGZPJMESA-N 442.514 5.000 30 10 IKEE Cc1c(N=Nc2c(Cl)cccc2Cl)c(O)n([C@@H](C)c2ccccc2)c(=O)c1C#N 1772741092 UFGLNJWPFWHDJV-ZDUSSCGKSA-N 427.291 6.066 30 10 IKEE CCCCOc1ccc(C=NNc2nnc3c4ccccc4n(CCC)c3n2)cc1OC 1772764762 COZRHFJKHJDSBN-UHFFFAOYSA-N 432.528 5.023 30 10 IKEE N#Cc1ccccc1NC(=O)Oc1cccc2c(NC(=O)OCc3ccccc3)cccc12 1858778619 LOBLRLNAWZTGLK-UHFFFAOYSA-N 437.455 6.071 30 10 IKEE N#Cc1ccc(COc2cccnc2NC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 1858866757 WUKTXFHSXXVBRS-UHFFFAOYSA-N 446.816 5.848 30 10 IKEE C=CCN(CC=C)C(=O)CC1=C(C)/C(=C\c2ccc([S@](C)=O)cc2)c2ccc(F)cc21 1860384471 ICKJCSYQUJCDCB-FNSNJJEASA-N 435.564 5.482 30 10 IKEE N#Cc1cccc(C(=O)n2c(=O)oc3cc(-c4csc(-c5ccc(F)cc5)n4)ccc32)c1 1860473701 YLEUJHHVIDRIDD-UHFFFAOYSA-N 441.443 5.084 30 10 IKEE O=C(/C=C/c1ccc(Br)cc1F)C(=O)N(Cc1ccccc1)c1ccccc1 1860636585 JKMFMRAMEYUABD-WYMLVPIESA-N 438.296 5.404 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1c(F)cccc1Cl 1862382447 HUJUBIUZGDRVFI-QGZVFWFLSA-N 442.701 5.773 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccc(O)c1)c1ccc(Cl)cc1Cl 1862382644 NMEPKPUYOLWNRT-IBGZPJMESA-N 444.270 5.071 30 10 IKEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@@H]2c2ccccc2)cc1 1862429379 LQZKKNCJSSDLSU-QHCPKHFHSA-N 447.918 5.170 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2cccs2)cc1 1862431858 PZIAELZSIDXGPL-FQEVSTJZSA-N 439.920 5.189 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862440214 VJBLOUVQODVYRW-AOMKIAJQSA-N 441.955 5.896 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccc(C)cc2)cc1 1862475056 BXGSCNFIZHLETH-DEOSSOPVSA-N 429.491 5.264 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)cc1 1862489549 XIACYXYNEPBLQO-RVSNTGDXSA-N 433.548 5.469 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)c1 1862490082 NJPFUWLNBVHPEB-HSZRJFAPSA-N 449.909 5.874 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862507650 QIMGOZINWTYJLT-MHECFPHRSA-N 429.491 5.782 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccc(O)cc2)cc1 1862529917 LGQOLRDCHMPUFN-XMMPIXPASA-N 433.548 5.646 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(C(C)C)cc2)cc1 1862533900 NJRYVSPLIXOOJE-DEOSSOPVSA-N 445.584 6.212 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(OC)c1 1862581332 FBTFTGBRWFRXTC-BLVKFPJESA-N 434.319 5.379 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862584768 HEWGVXABNLZXPY-FQEVSTJZSA-N 444.358 6.055 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2ccc(Cl)cc2)c1 1862701244 ZADBEXXGPQZXAS-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc(F)c1 1862715929 UJACBDMJHHYOPB-WSNNEZGNSA-N 443.518 6.136 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 1862750924 GBRDVGKEAVNFBC-NRFANRHFSA-N 448.862 5.027 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(C)cc3)C2=O)cc1 1863277206 VBSJXPVUYDLTJI-LJQANCHMSA-N 435.527 5.382 30 10 IKEE CCCCCCCCNC1=C(c2ccc(OCC)cc2)C(=O)N(Cc2ccccc2)C1=O 1863563235 NYMLOAJEINAHPJ-UHFFFAOYSA-N 434.580 5.316 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(C)cc2)C(=O)N(Cc2cccnc2)C1=O 1863613451 SVTFGQDDJDDLHB-UHFFFAOYSA-N 433.596 5.400 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc(N2COc3ccc4ccccc4c3C2)cc1 1865891921 JTJPTDAUJJAFOA-UHFFFAOYSA-N 444.619 7.067 30 10 IKEE O=C(NC[C@@H](c1ccc(F)cc1)N1CCCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1865966286 LCGQJRQNEICQEG-SFHVURJKSA-N 448.382 5.430 30 10 IKEE COc1ccc2c(c1)C[C@H](C)CN2c1cc(Nc2ccc(C#N)cc2)nc(C(C)(C)C)n1 1868355332 GIICCIVYOJJESJ-KRWDZBQOSA-N 427.552 5.728 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N2C[C@@H](C)C[C@@H](C)C2)nn1-c1ccc(C)cc1 1870009633 MACGRCMZMKBYCX-OYRHEFFESA-N 425.621 5.747 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(C(C)C)cc2)c(=O)cc1CN1CC(O)C1 1870471916 BCWINPMBVOJTIN-UHFFFAOYSA-N 440.628 5.088 30 10 IKEE CCCCCCCOc1cn(CCC)c(CNc2ccc(Br)c(C)c2)cc1=O 1870832258 VCSXOEJQRPRAPV-UHFFFAOYSA-N 449.433 6.291 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccncc1)C3=O)CN(CCCCc1ccccc1)CO2 1871359785 AYWQYYFFQIRLHB-IWIPYMOSSA-N 426.516 5.181 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc3c(c2)O/C(=C\c2sccc2C)C3=O)cc1 1871366323 FGGPPSXFANAZEV-BKUYFWCQSA-N 436.485 5.056 30 10 IKEE CC(C)Oc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)c1 1871387426 VAAXAUUIOARYNP-QFEZKATASA-N 443.499 5.375 30 10 IKEE Cc1cccc(OCCCOc2ccc3c(c2C)O/C(=C\c2ccc(C(C)C)cc2)C3=O)c1 1871404461 BMPLFQWVRFGBPY-IMRQLAEWSA-N 442.555 6.891 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871412508 UARAHOXQOCKBAU-XHFXOGKZSA-N 443.499 5.334 30 10 IKEE CCCC[C@H](Oc1cc(C)c2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O)C(=O)O 1871423193 OEWKCXAQYRDKET-BEWREHSGSA-N 445.309 5.396 30 10 IKEE C=CCN(CC=C)c1nc(=NCCC2=CCCCC2)[nH]c(=Nc2cccc(C(C)(C)C)c2)[nH]1 1871641148 FYNBNBRGWZCMDO-UHFFFAOYSA-N 446.643 5.237 30 10 IKEE CCCCCCCCCCN=c1[nH]c(=NCCC)[nH]c(=NCCCCCCCCCC)[nH]1 1871738230 QJEDLABPDCDAAI-UHFFFAOYSA-N 448.744 6.064 30 10 IKEE C=CCN([C@@H](C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)[C@H](C)CC)S(=O)(=O)CCC 1872338114 HWASUFXXGWWWMG-AUSIDOKSSA-N 436.662 5.514 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(Cl)cc1C)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1872506883 HWPTYNJXVDDUGT-JTSKRJEESA-N 449.016 5.269 30 10 IKEE N#C[C@@H](C(=O)c1ccc(F)c(F)c1F)c1nc(-c2ccc(Br)cc2)cs1 1872765134 IDFYUWYUDLPDJX-LBPRGKRZSA-N 437.240 5.480 30 10 IKEE Cc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(C(C)(C)C)c1 1872766480 KEPWCMPRBVEWIX-GOSISDBHSA-N 438.980 6.325 30 10 IKEE COc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)c(OC)c1 1872778120 DMEKSKNVIYYIGZ-OSICKASQSA-N 448.544 5.342 30 10 IKEE COc1ccc(Cl)cc1C(=O)[C@H](C#N)c1nc(-c2cc(C)c(Cl)cc2OC)cs1 1872783672 FSYACVOQBQRPOZ-HNNXBMFYSA-N 447.343 5.933 30 10 IKEE COc1c(Cl)cc(-c2csc([C@@H](C#N)C(=O)c3ccc(C)c(C)c3)n2)cc1Cl 1872785040 CZPUYXICKMIURB-HNNXBMFYSA-N 431.344 6.232 30 10 IKEE N#C[C@@H](C(=O)CCc1ccc(Cl)cc1)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872787770 QZIJMGXIGIJZEI-INIZCTEOSA-N 435.763 6.579 30 10 IKEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)Nc3ccccc3Cl)cc2[nH]1 1872806251 DTSXINHCLQKOAR-UHFFFAOYSA-N 433.895 5.612 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2F)=C(c2cc(F)c(F)cc2F)C1=O 1873241842 GUBCDLLKARQPIC-UHFFFAOYSA-N 448.460 5.796 30 10 IKEE C=CCN1C(=O)C(Nc2cc(C)ccc2OC(C)C)=C(c2c(Cl)cccc2Cl)C1=O 1873289237 CSYQNWVOPZOSMF-UHFFFAOYSA-N 445.346 5.467 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C(C)C)[C@@H]1c1ccccc1 1873935420 PSSFNDCPHGZSHW-KAYWLYCHSA-N 448.651 6.633 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1cccc(OCC)c1 1874342384 MXEVAZMISKHXPL-ZVHZXABRSA-N 426.973 5.471 30 10 IKEE Clc1cccc(CSc2nnc(CCOc3ccccc3)n2/N=C/c2ccncc2)c1 1874347210 BZYXJLNKUWUUDY-WGOQTCKBSA-N 449.967 5.123 30 10 IKEE Cc1ccc(CSc2nnc([C@H](C)c3ccccc3)n2/N=C/c2cccc(F)c2)cc1 1874391516 JXHIWNXQBDWOAO-BWJYWGHISA-N 430.552 6.052 30 10 IKEE Cc1ccsc1/C=N/n1c(SCCc2ccccc2)nnc1[C@H](C)c1ccccc1 1874399837 DCBJKTIBZGRIFK-WZGTUUFSSA-N 432.618 6.017 30 10 IKEE CCOc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccccc2)cc1 1874408107 HIIJEMISMSNQPX-NLRVBDNBSA-N 434.609 5.974 30 10 IKEE COC(=O)c1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccc(C)cc2)cc1 1874435811 YMOOTSBPXSDZNJ-MFKUBSTISA-N 436.581 5.136 30 10 IKEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(C)cc3)nnc2C2CCCC2)cc1 1874454840 XLSFTJFRFYYQAJ-WGOQTCKBSA-N 447.608 5.420 30 10 IKEE C=CCSc1nnc(C2CCC2)n1/N=C/c1ccc(OCCc2ccccc2)c(OC)c1 1874496586 USJYKQZWWWEUNO-NLRVBDNBSA-N 448.592 5.336 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(N(C)C)cc1 1874510885 ABGNJRONUFNWNL-ZMOGYAJESA-N 448.423 5.778 30 10 IKEE CCOc1cc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CC2)ccc1O 1874520689 LJXKLMGHWLRISO-CVKSISIWSA-N 444.560 5.588 30 10 IKEE CCCCC1CCC(c2nnc(S)n2/N=C/c2ccc(OC(C)C)c(OC)c2)CC1 1874563612 NRCHPHPMHTYNMY-BUVRLJJBSA-N 430.618 5.709 30 10 IKEE Cc1cccc(NC(=O)COc2ccccc2/C=C/C(=O)c2c(C)c(C)cc(C)c2C)c1 1874586986 OUQUBRNRTIYQTR-BUHFOSPRSA-N 427.544 6.142 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1cc(Br)ccc1OCCCO 1874588722 ANEFGBWBLRWLKR-GQCTYLIASA-N 439.733 5.077 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccccc2OCC(=O)Nc2cc(C)ccc2C)cc1C 1874591004 ONFNVXVVALHSIK-OUKQBFOZSA-N 443.543 5.842 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCc3cc(C)ccc3C)c(Br)c2)cc1 1874604606 WIPPRDGFIHUQFY-UKTHLTGXSA-N 449.388 7.103 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(OC)c1OCc1cc(C)ccc1C 1874609595 ZRHNTQRZVWMYES-XNTDXEJSSA-N 442.555 6.524 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OCC(=O)Nc1cccc(C)c1C 1874620376 WZIGTGLAMJHJOI-XYOKQWHBSA-N 447.506 5.673 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(Cl)c3)c([N+](=O)[O-])c2)cc1F 1874621790 UWRFBSSQTVCLGG-VMPITWQZSA-N 441.842 5.871 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1)c1cccc2ccccc12 1874623550 ITGUUDKGRAVUTL-WYMLVPIESA-N 433.334 7.622 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Cl)c1OCc1cccc(C)c1 1874625927 DGMRFBQCCXZGMB-RMKNXTFCSA-N 428.862 6.410 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc1 1874638493 COPPIXXDSCBWTN-GXDHUFHOSA-N 449.934 5.825 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(Cl)cc3Cl)c2)cc1 1874697510 BFAYMHRNIQEALW-LFYBBSHMSA-N 427.283 6.117 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OC(=O)c1ccc(Cl)cc1Cl 1874702807 KJLBXUBSZDGZPT-VZUCSPMQSA-N 441.310 6.426 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OC(=O)c1ccc(Cl)cc1Cl 1874710300 VJZGREWMSGJDFN-WTDSWWLTSA-N 445.273 6.256 30 10 IKEE C=CCN(CC=C)CCC(=O)c1cccc(OC(=O)COc2cc(Cl)ccc2Cl)c1 1874732325 ZVLFWRSUIJSXDK-UHFFFAOYSA-N 448.346 5.225 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cncc(C)c3)c(Cl)c2)cc1OC 1875098350 FFJYKPBDKAHOKH-QPJJXVBHSA-N 437.879 5.176 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(OC)c3)cc2)cc1 1875098421 ALHBKYLYGJMNEY-OQLLNIDSSA-N 446.499 5.147 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Br)c(OC(=O)C3CCC3)c(OC)c2)c1 1875100501 DXKXZZOWBUKTRY-MDZDMXLPSA-N 445.309 5.068 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccs2)c(Br)c1)c1ccc(F)c(F)c1 1875162249 DXKMOSLDNMDHAF-XVNBXDOJSA-N 449.272 5.904 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)cc1 1875168310 WTLXJJWQJJKSAA-JLHYYAGUSA-N 435.347 6.774 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1 1875168574 KFDUOYPMLZHYPR-NTCAYCPXSA-N 428.528 5.973 30 10 IKEE CC1(C)CCC[C@@]1(C#N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875631825 BNCJBMPZGCJFRX-LMSSTIIKSA-N 441.571 6.598 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[C@@H](C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1890762822 KWFZFYJOFAWMIE-VAMGGRTRSA-N 429.561 5.009 30 10 IKEE C=C([C@H](NCCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1)[Si](C)(C)C 1923016962 WIXBAEKTGYSEDN-SFHVURJKSA-N 441.486 6.270 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)[C@H]2CCC[C@H]21 1926544384 DVNVKSQPHAABGN-GLDPYIMESA-N 445.535 5.249 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1949111880 PRVOMPZDYGDDTG-STSQHVNTSA-N 447.963 5.373 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)CC1(C)C 1949561435 PYLQYZRVWZOOAX-QHCPKHFHSA-N 449.979 5.763 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCN(C(=O)OC(C)(C)C)CCC1(F)F 2020298322 SQIUCDUDONDOLK-HRAATJIYSA-N 445.551 5.341 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@](C)(NC(=O)OC(C)(C)C)C1CCCCC1 2024527822 LFCDXIXVSCWLKC-ZEQKJWHPSA-N 430.633 5.601 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]1CC(C)(C)CN1C(=O)OC(C)(C)C 2033717045 JEQBRBFQWYXGHC-VQTJNVASSA-N 443.588 5.664 30 10 IKEE Cc1ccc([C@H](C2CCC2)n2nc(C(F)(F)F)c(/C=N/O)c2Br)c(F)c1 2079125133 OSFPALSHSGTYNH-GRLVRZOXSA-N 434.231 5.310 30 10 IKEE ON=Cc1c(C(F)F)nn([C@@H](c2ccc(C(F)(F)F)cc2)C2CC2)c1Br 2079943633 FJQPCKGVVLIAQA-CYBMUJFWSA-N 438.194 5.410 30 10 IKEE CCCOc1ccc([C@@H](C2CC2)n2nc(C(C)C)c(C#N)c2I)cc1 2080057743 NPEKECHKJQLELS-LJQANCHMSA-N 449.336 5.271 30 10 IKEE COc1ccc([C@H](C2CCC2)n2nc(C(C)(C)C)c(C=NO)c2Br)cc1F 2080117599 HRFTYPLMFGMXSW-KRWDZBQOSA-N 438.341 5.288 30 10 IKEE Oc1c2c(nc3c(-c4ccc(F)cc4C(F)(F)F)c(C(F)(F)F)nn13)CCSC2 2081257118 OAAXUOKRJKVAQH-UHFFFAOYSA-N 437.340 5.068 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2sc(Br)cc2C)c1 2100766203 YYTPCKXKPGGAIC-HNNXBMFYSA-N 437.359 5.834 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)C1CC(C(F)(F)F)C1 2105184916 YKURLQFPCTZNRS-QOZQQMKHSA-N 433.268 5.671 30 10 IKEE CC(C)[C@H]1CC=C(C(=O)c2ccc(I)c(Br)c2)CC1 2125192628 JYLCTWSFPLUZSG-NSHDSACASA-N 433.127 5.619 30 10 IKEE C=CC1(CNCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCOCC1 2134731759 XWWDOZLCRBAPKA-UHFFFAOYSA-N 443.587 5.917 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@@H]2Nc2ccc(C#N)cc2Br)C1 2156237763 XMFZLGXKVSUQGY-GHTZIAJQSA-N 434.378 5.302 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)C[C@H]2CC(F)(F)C[C@H]2C1 2160228775 HARNPDUORPJSMU-BDQBCWGISA-N 441.316 5.908 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)C2=CC[C@@H](C(C)(C)C)CC2)c1 2181552159 NVNDTQJUFRXDJK-OAHLLOKOSA-N 436.390 6.751 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CC[C@]2(CCCOC2)C1 2185131949 FBBTUFAROAVMIB-NHCUHLMSSA-N 435.362 5.434 30 10 IKEE CCc1ccc(Nc2ccc(C#N)c(Br)c2F)cc1I 2185157137 DDBYHGUMJBXRNS-UHFFFAOYSA-N 445.073 5.370 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(C)c(Br)cc1C 2201064551 YMWIRTHELCNZOA-VQTJNVASSA-N 437.422 5.413 30 10 IKEE CP(C)(=O)C#CC(=O)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2218507802 WXIYXNKHPKNPFH-AREMUKBSSA-N 448.455 5.031 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1Cc2ccc(Nc3cccc(Br)c3C#N)cc2C1 2234127627 XVVKDXYXWYTQOG-INIZCTEOSA-N 428.330 5.056 30 10 IKEE C=CCCCC[C@H](NCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237427881 FKQMRSBKQZYAHU-PMACEKPBSA-N 439.438 5.609 30 10 IKEE CCC(C)(C)N(CCC#N)C(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21 2243910956 MXKLQJLJEWMHDA-UHFFFAOYSA-N 447.579 5.236 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@@H]2CCCC[C@H]2N(C(=O)OC(C)(C)C)C1 2246648213 WOUWRRANCIUPGV-RGKFVRLKSA-N 435.609 5.484 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(OC)c(Br)s1 2263739684 POKSANRXDSLYJL-SWLSCSKDSA-N 433.412 5.029 30 10 IKEE COc1ccc(NC(=S)NN=CC=C(Cl)c2ccc(Cl)cc2)c(C(F)(F)F)c1 2294965784 LTBMNFZBNXPHQL-UHFFFAOYSA-N 448.297 5.920 30 10 IKEE CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C=Cc3c(Cl)cccc3Cl)c2C#N)C1 2295255394 AEFNJFRNTLIMGK-CYBMUJFWSA-N 433.404 6.729 30 10 IKEE Cc1cccc(N2C(=O)C(=O)C(=C(O)c3ccccc3)[C@H]2c2ccc(Br)cc2)c1 2296179668 PYMUSMSFXJNWAN-OAQYLSRUSA-N 448.316 5.384 30 10 IKEE CC(C)CN(CC(C)C)C[C@@H](O)Cn1cc(C=CC(=O)c2ccccc2)c2ccccc21 2297359298 HJTYKSOEELGIMP-RUZDIDTESA-N 432.608 5.512 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(=Cc1cccc(Cl)c1Cl)C2=O 2314437707 UMRMKRJWDKZJSW-UHFFFAOYSA-N 425.267 6.137 30 10 IKEE O=C(O)c1ccccc1C=Nn1c(SCc2cccc3ccccc23)nnc1C1CC1 2320869782 XVWGVMMJXHSASA-UHFFFAOYSA-N 428.517 5.181 30 10 IKEE O=[N+]([O-])c1ccccc1C=Nn1c(SCc2ccc(Cl)cc2Cl)nnc1C1CC1 2320909386 XXCWDNNSFDRBSY-UHFFFAOYSA-N 448.335 5.545 30 10 IKEE N#Cc1ccccc1NC(=O)c1cccc(NC(=O)C=Cc2ccc(Cl)cc2Cl)n1 2320956634 VXVDZOPFYHVSHN-UHFFFAOYSA-N 437.286 5.164 30 10 IKEE Cc1cc(OCc2ccccc2Cl)cc2c1C(=O)C(=Cc1c(F)cccc1Cl)O2 2321762291 OHQHYFGTOIVHJY-UHFFFAOYSA-N 429.274 6.636 30 10 IKEE CCCCCOc1ccc(C=Nn2c(S)nnc2CC23CC4CC(CC(C4)C2)C3)cc1 2322183799 TWBVYRBUBQUSKH-UHFFFAOYSA-N 438.641 5.777 30 10 IKEE CCc1ccc([C@@H](C)N2COc3ccc4c(c3C2)OC(=Cc2ccccc2C)C4=O)cc1 2322260154 JHCQIBLRSLGMBL-LJQANCHMSA-N 425.528 6.087 30 10 IKEE CCOc1cccc(C=Nn2c(S)nnc2CCCOc2cc(C)c(Cl)c(C)c2)c1 2322286343 OZXZNOWMZLAGEM-UHFFFAOYSA-N 444.988 5.130 30 10 IKEE CCc1ccc(C=Nn2c(S)nnc2CCCOc2cc(C)c(Cl)c(C)c2)cc1 2322286345 PHJGBEIEMLWAFJ-UHFFFAOYSA-N 428.989 5.293 30 10 IKEE O=C(COc1ccccc1C=CC(=O)c1ccc(Cl)cc1Cl)NCc1ccccc1 2322378825 PZBQVPRWGHURPC-UHFFFAOYSA-N 440.326 5.585 30 10 IKEE COc1cccc(C=CC(=O)c2ccccc2Cl)c1OCc1ccc(Cl)cc1Cl 2322437009 DAMHNZWBLYOXRZ-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc(C)cc4)c3C)C2=O)c(OC)c1 2322671349 QEGPGRWPTCEFCQ-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE COC(=O)c1ccc(COc2c(C=CC(=O)c3ccc(C(C)C)cc3)cccc2OC)o1 2322738103 MBHYKBZRJQBJIG-UHFFFAOYSA-N 434.488 5.673 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccccc1OCc1cccc2ccccc12 2322922695 ADLXOWJRKXNYDW-UHFFFAOYSA-N 442.942 7.285 30 10 IKEE CCc1ccccc1NC(=O)COc1cccc(C=CC(=O)c2ccc(OC)c(OC)c2)c1 2323060672 FBPQADOYIUEVEM-UHFFFAOYSA-N 445.515 5.180 30 10 IKEE CCCCCCCCNC(=O)[C@@H](NC(=O)C=Cc1ccc(C(C)C)cc1)c1ccccc1 2323247432 XHGLPBSQYJOXPO-MHZLTWQESA-N 434.624 6.157 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1OCCc1ccccc1 2323302692 KSSMFSVMMCONSB-UHFFFAOYSA-N 428.572 6.819 30 10 IKEE CCc1ccc(NC(=O)COc2cccc(C=CC(=O)c3ccc(OC)c(Cl)c3)c2)cc1 2323310318 ROZSOHSCRXTHBQ-UHFFFAOYSA-N 449.934 5.825 30 10 IKEE CCCCc1nnc(S)n1N=Cc1ccc(OCc2cccc(Cl)c2)c(OC)c1 2323503513 FJBFBRMYCBRRFK-UHFFFAOYSA-N 430.961 5.033 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O)c1ccc(-n2cccc2)cc1 2323675322 CBKAFKJADNYHKA-UHFFFAOYSA-N 425.415 5.452 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1OCC 2324195040 STNQRLDRSFIJHK-UHFFFAOYSA-N 427.516 5.148 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OCc2ccccc2F)c(Cl)c1 2324510588 XNIJJXWVNVQUOL-UHFFFAOYSA-N 445.317 6.925 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc(OCCCOc3ccc(C)cc3)c2C)C1=O 2324547722 ZSWBTEOFQNZYEY-UHFFFAOYSA-N 444.527 6.166 30 10 IKEE Cc1cccc(C(C)C)c1NC(=O)COc1ccc2c(c1C)OC(=Cc1cccs1)C2=O 2324990115 POLCBUZDJQGBNP-UHFFFAOYSA-N 447.556 6.122 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1cccc(Cl)c1 2325610331 HMEVTDBPSVCBJV-UHFFFAOYSA-N 425.772 5.975 30 10 IKEE COc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccccc3Cl)cc(C)c2C1=O 2325718054 TYIJSCIWDXWJCF-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccc(C)c(C)c4)c3C)C2=O)cc1 2325738916 RVDGOJDYBZVCMO-UHFFFAOYSA-N 441.527 5.808 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1cccc(C=CC(=O)c2ccc(C(C)C)cc2)c1 2325750654 UYCVWHBMBBXUQQ-UHFFFAOYSA-N 430.500 5.943 30 10 IKEE COc1cc(C(=O)C=Cc2cccc(OC(=O)c3cccc(C)c3)c2)c(OC)cc1Cl 2325759074 MGNORTSCUSWYBG-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccc(C)cc3)c2)cc1C 2325770003 IUUDEUXMJYYDPZ-UHFFFAOYSA-N 444.527 5.673 30 10 IKEE Cc1cc(C)cc(CSc2nnc(CCc3ccccc3)n2N=Cc2sccc2C)c1 2326418154 NGQQGYHDVLHCRG-UHFFFAOYSA-N 446.645 6.225 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc(OCC(C)C)cc1 2326698955 XXIDGEDHTGOHSS-UHFFFAOYSA-N 449.407 6.103 30 10 IKEE C=CCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1c(F)cccc1Cl 2327296615 JOGXKPNIIUCCCH-UHFFFAOYSA-N 444.963 5.735 30 10 IKEE C=C(C)CSc1nnc(Cc2cccc3ccccc23)n1N=Cc1cc(C)ccc1O 2327751704 YTONFCRWCTVMSU-UHFFFAOYSA-N 428.561 5.587 30 10 IKEE Cc1ccc(CCc2nnc(SCc3cccc(F)c3)n2N=Cc2ccccn2)cc1C 2328936402 AHYKGYQCZSZDMM-UHFFFAOYSA-N 445.567 5.389 30 10 IKEE CCSc1nnc(CCOc2ccccc2)n1N=Cc1c(OC)ccc2ccccc12 2329176890 XQIUBVZRHNKCFR-UHFFFAOYSA-N 432.549 5.056 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)C=Cc1cccc([N+](=O)[O-])c1 2330611013 RJBHHOSWVCLOKR-HSZRJFAPSA-N 445.604 5.540 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2cn(C)c3ccccc23)cc1 2330625142 AHEHPIUKHJSJKD-UHFFFAOYSA-N 437.572 5.920 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(O)cc1 2330874223 VZTVOJYPFUQZBL-UHFFFAOYSA-N 449.407 6.054 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OC(=O)[C@H](C)c1ccccc1 2331101315 RGBWWHKFUBGCLX-QGZVFWFLSA-N 436.454 5.969 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)c1ccncc1 2331149988 MFGBKDMYGLZNFZ-UHFFFAOYSA-N 442.298 5.902 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)CCCOc1ccccc1C 2331179349 RYIAJVGUBABFMI-UHFFFAOYSA-N 444.527 6.054 30 10 IKEE COc1cc(C=Nn2c(SCc3cccc(F)c3)nnc2C(C)(C)C)cc(Cl)c1O 2331382525 CNIQVWKADMUMJP-UHFFFAOYSA-N 448.951 5.257 30 10 IKEE C=CCSc1nnc(C(C)(C)C)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2331399672 KKBOXGFTYRJIFD-UHFFFAOYSA-N 441.000 5.968 30 10 IKEE COc1cccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 2331412553 IWPGSRIEXMYESK-UHFFFAOYSA-N 444.527 5.873 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)COc1ccc(C)cc1C 2331539920 BXVOGLZGFUDXOT-UHFFFAOYSA-N 434.463 5.332 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1)c1ccc(F)c(F)c1 2331555228 PIVXFQVUMNONTB-UHFFFAOYSA-N 448.421 5.227 30 10 IKEE C=CCc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OC(=O)C1CCC1 2331656589 XYAPPULWIIDYOF-UHFFFAOYSA-N 432.560 6.259 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2ccc(OC(=O)c3cccc(C)c3)cc2)cc1Cl 2331695837 SWEXMKSARJMZGP-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(F)c3)cc2)c(OCC)c1 2331733711 CBMVJQHGKHSJLO-UHFFFAOYSA-N 434.463 5.738 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1cccc(C)c1 2331779765 RMCCFKUGLPGPAY-UHFFFAOYSA-N 428.528 6.434 30 10 IKEE CC1(C)OB(c2ccc(Oc3ccc(Cl)cc3Br)c(C#N)c2)OC1(C)C 2364703356 DJRAXIKJXXEJCB-UHFFFAOYSA-N 434.526 5.066 30 10 IKEE CC1(C)OB(C=Cc2ccc(NC[C@]34CC[C@@H]3CN(Cc3ccccc3)C4)nc2)OC1(C)C 2365048585 MCDDVWCYQLZDDY-KCWPFWIISA-N 445.416 5.050 30 10 IKEE CC1(C)OB(C=Cc2ccc(Oc3ccc(Cl)cc3Br)nc2)OC1(C)C 2365111865 LJHIOFHYMSEZAQ-UHFFFAOYSA-N 436.542 5.934 30 10 IKEE CCc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(Cl)c2)cc1 21226511 VRUSHDVPMDAUNY-NFQMXDRXSA-N 428.963 6.882 30 10 IKEE COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cccc2ccccc12 21231332 HJBFADODUBIGEH-WENCNXQZSA-N 446.550 6.828 30 10 IKEE O=C(Nc1cccc(/N=C/c2cc(/N=N\c3ccccc3Cl)ccc2O)c1)c1ccco1 27472185 KBCYZVZQYZBOBI-ZXIVSDKTSA-N 444.878 7.057 30 10 IKEE C=CCOc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccccn2)cc1 35514670 QFEWZFXUFKXQRF-QFIPXVFZSA-N 444.874 5.156 30 10 IKEE C=C[C@@](C)(O)CN(Cc1nc2scc(-c3ccccc3C)c2c(=O)[nH]1)C1CCCCC1 36205787 DXAVMHZQDFQPMF-RUZDIDTESA-N 437.609 5.032 30 10 IKEE CC(C)c1c(C(=O)Nc2sc3c(c2C#N)CCCC3)nnn1-c1ccc(Cl)cc1 40180024 JNVCMYFKMBCTSI-UHFFFAOYSA-N 425.945 5.108 30 10 IKEE C=CCN1C(=O)c2ccccc2N[C@]1(CC)c1ccc(OCCCc2ccccc2)cc1 66133543 LJGKJVSJAQUZNQ-NDEPHWFRSA-N 426.560 6.015 30 10 IKEE Cc1sc2nc(-c3ccncc3)n(Cc3cccc(C#N)c3)c(=O)c2c1-c1cccs1 96533127 SOWORWCYLDQMHE-UHFFFAOYSA-N 440.553 5.477 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1ccc(Cl)cc1[N+](=O)[O-] 100443830 YWMAVSABVLVJRE-UHFFFAOYSA-N 442.025 6.762 30 10 IKEE CCCCCCCCCCCn1c(-c2cccc(Br)c2)nc2ccccc21 102197283 HDDRMYZWHXHXOO-UHFFFAOYSA-N 427.430 7.997 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2ccccc2C)cc1 169926636 GSPOFPIICXWDLF-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(C)c(C)c2)=C(O)C(=O)N1c1cccc(C)c1C 169944106 HNOCOJPLQMMKNP-RUZDIDTESA-N 441.527 5.712 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1ccc(OC(C)C)cc1 169979112 BKBZURIMWNPTCK-HXUWFJFHSA-N 442.581 5.316 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@@H]2c2cccs2)cc1 169986099 KOQLIMZQPWVNCI-XMMPIXPASA-N 439.536 6.247 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2C2CCCCC2)cc1 170031702 ZZPRVOOEWHHDAG-XMMPIXPASA-N 445.515 5.743 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc2ccccc12)c1cccc(Cl)c1 170045486 HUUZGAUEJPOKMM-HSZRJFAPSA-N 443.886 5.865 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C2CCCC2)cc1 170117048 DGFFHGHJOIXHAQ-FQEVSTJZSA-N 446.330 5.523 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2cccs2)cc1C 170155509 QLRGBCCXZWKQKJ-NRFANRHFSA-N 437.492 5.377 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2cccs2)c1 170160251 CGYOLOVBDCLDCJ-JOCHJYFZSA-N 449.528 5.334 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccn2)cc1C 170168172 CPPAPCALBCRCSX-QFIPXVFZSA-N 448.544 5.019 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccnc2)c1 170185478 LBNMCMGSSFWWDA-JOCHJYFZSA-N 448.906 5.225 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cccc(OCC)c3)=C(O)C(=O)N2C2CCCC2)cc1 170214609 JKKCNNVFTNWCLK-QHCPKHFHSA-N 435.520 5.005 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccccc2)cc1Cl 170223727 FQVCOPFUFASDRU-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 170246572 JXTFTHKZSYEEOL-HXUWFJFHSA-N 448.346 5.771 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1ccc(Cl)c(Cl)c1 170246705 SZSQNKHTSKLFPR-HNNXBMFYSA-N 425.337 5.055 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@@H]1c1cccc(O)c1 170262843 OQEYFNPCKBNQRR-QFIPXVFZSA-N 437.536 5.077 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccco2)cc1 170285267 SFZUHMZFHWKHQX-XMMPIXPASA-N 443.499 5.340 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@H]2c2ccco2)ccc1F 170287294 CESAJUZJAUBTCG-QHCPKHFHSA-N 427.431 5.663 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccco2)ccc1Br 170293122 FRNSPQBYPNSPOQ-IBGZPJMESA-N 444.325 5.262 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(Cl)c(Cl)c1)c1ccccc1 170379819 CSPOQGKHZJTWFA-FQEVSTJZSA-N 442.273 5.915 30 10 IKEE CCOc1ccc(S(=O)(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1 170550223 NVRJNMLXOYCONV-UHFFFAOYSA-N 444.512 5.685 30 10 IKEE Cc1cccc(C=Nn2c(-c3ccc(OC(F)F)cc3)csc2=NC2CCCCC2)c1 254317080 FZFFVDCXWRCREZ-UHFFFAOYSA-N 441.547 6.242 30 10 IKEE Cc1ccc(N=Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)cc1C 254867019 YSCCAACKDHSKAU-UHFFFAOYSA-N 430.349 6.669 30 10 IKEE CCCCOc1ccc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526514997 GIOYDWXOXGIRPW-QHCPKHFHSA-N 430.529 5.856 30 10 IKEE Cc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccc(C(F)(F)F)c2)cc1 526520546 HGSPCCHIPKRMPC-JOCHJYFZSA-N 434.417 5.943 30 10 IKEE CC(C)COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccs2)c1 526605174 NLYQGYCJWJVBRE-QHCPKHFHSA-N 430.529 5.712 30 10 IKEE Cc1ccc(SC2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cc(C)ccc3C)C2=O)cc1 526660338 JJDBNEBEJNXIBT-UHFFFAOYSA-N 439.540 5.473 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)C(C)(C)C2)c1 698468642 JVLVVMAPJVTCMV-VWLOTQADSA-N 443.588 5.808 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCc2cc(Br)ccc21 698478276 SCEMZLODFSCEAE-QFIPXVFZSA-N 427.342 5.864 30 10 IKEE CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(C(F)(F)F)nc2O)cs1 731564447 FOTSBHBMAJOHNJ-WEVVVXLNSA-N 447.438 5.152 30 10 IKEE Oc1ccccc1C=Nc1cc(C(F)(F)F)ccc1Oc1ccccc1Cc1ccccc1 1083973786 AMSZMSRVRWEFQV-UHFFFAOYSA-N 447.456 7.545 30 10 IKEE C[C@@H](CCC[C@@H](C)C(=O)O)[C@@H]1CC[C@@H]2[C@H]3C(=O)C=C4C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 1085210866 QOEPZHFZXUROGV-DRJFXKKOSA-N 430.629 5.632 30 10 IKEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CCC(C)(C)C1CC1 1300284463 SJIJWVDKJJLBPI-OAHLLOKOSA-N 445.405 5.000 30 10 IKEE C/C(=C1\SC(=Nc2cccc(C)n2)N(C2CCCCC2)C1=O)c1ccc(Cl)cc1 1772737257 NLWABGOMPYKDCJ-JUIDXRIDSA-N 425.985 6.370 30 10 IKEE C=CCN1C(=O)/C(=C(\C)c2ccc(C)c(C)c2)SC1=Nc1nc(-c2ccccc2)cs1 1772740358 ZWUIAMGQVAVJDA-YUQVEKJTSA-N 445.613 6.607 30 10 IKEE CCCCCCCCCCn1cc(O[C@@H](CC)C(=O)OCC(C)C)c(=O)cc1C(=O)O 1857891546 WMLATIKIWOIFRA-NRFANRHFSA-N 437.577 5.044 30 10 IKEE Cc1cccc(C(C)C)c1NC(=O)c1nc(C(=O)Nc2ccc(C#N)cc2)c2ccccn12 1858244369 IQVMMRDYDIUVTL-UHFFFAOYSA-N 437.503 5.142 30 10 IKEE C=CCN(CC=C)C(=O)Oc1cccc2c(NC(=O)Cc3ccc(OCC)cc3)cccc12 1858949151 WLTCFFSFWNNOJU-UHFFFAOYSA-N 444.531 5.593 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)/C=C/c1ccc(C(C)C)cc1 1861554655 RIPDVEQZHCYRQB-HRNYAPDYSA-N 432.674 5.538 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(C(=O)O)cc1 1862384592 VVVJRGJRKVAOFH-VOJFVSQTSA-N 448.302 5.068 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)cc1 1862445012 MIHUTKYMQUCWMY-FQEVSTJZSA-N 448.346 5.387 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1 1862483422 DCXFLYHXIVUPFG-RUZDIDTESA-N 441.527 5.561 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cccc(C)c1 1862507329 JBKMRXWPVGUKQN-URXFXBBRSA-N 437.555 6.380 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCC(C)C)c1 1862511793 QFYFQBNLCOFMLS-HSZRJFAPSA-N 439.527 5.547 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(OC)cc1 1862536011 OYPPNPVJGZWCKU-WIOPSUGQSA-N 449.591 6.195 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccc3cc[nH]c3c2)c1 1862560091 DOAVVJZZQDMCLC-XMMPIXPASA-N 441.531 5.219 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1cccc2ccccc12)c1ccc(Cl)c(Cl)c1 1862584910 KLPLSKAPHKYKJM-NRFANRHFSA-N 438.310 5.887 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862619256 RDPLWKOAKMKWHT-BTYIYWSLSA-N 436.508 5.269 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc2c(c1)CCCN2C 1862667505 CSJJVCKQIVUAIX-VWLOTQADSA-N 446.591 5.427 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(Cl)cc1Cl 1862668057 POQXKLPYQKOEMX-QKKBWIMNSA-N 446.374 6.494 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cccc(Cl)c2)cc1 1862672659 FBSHJSHOEBWUTA-QHCPKHFHSA-N 449.909 5.820 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(CC)cc1 1862673280 LJRRXHPOOYECDZ-HSZRJFAPSA-N 439.527 5.173 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccc1Cl 1862712384 PWMAQFCXFHYJII-HSZRJFAPSA-N 449.934 5.498 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(N(CC)CC)cc1 1862721984 VBLHFLWGOGIANH-RUZDIDTESA-N 440.543 5.450 30 10 IKEE N#Cc1cccc(NC2=C(c3cccc4ccccc34)C(=O)N(Cc3ccccc3)C2=O)c1 1863225312 BMCMEIYBTAKRDR-UHFFFAOYSA-N 429.479 5.104 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(Cl)c2C)=C(c2ccccc2F)C1=O 1863290640 PIHFUCFHMATGFJ-UHFFFAOYSA-N 442.962 6.340 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(Nc3cccc(C#N)c3)=C(c3cc(C)ccc3C)C2=O)cc1 1863402941 OYOPSHWPKJKABD-FQEVSTJZSA-N 449.554 5.691 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Cl)c(C(F)(F)F)c2)=C(c2c[nH]c3ccccc23)C1=O 1863486589 FAQXXKVFURBSQJ-UHFFFAOYSA-N 445.828 5.218 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(F)cc2)C(=O)N(Cc2ccco2)C1=O 1863505124 PJXACUAFKVUGQO-UHFFFAOYSA-N 426.532 5.429 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCOC(C)C)=C(c2ccc(C)cc2)C1=O 1863620227 NXJHOGIVGGRBIY-UHFFFAOYSA-N 428.617 5.230 30 10 IKEE Cc1ccc([C@@H](C(=O)N[C@@H](C(=O)Nc2ccccc2C#N)c2ccccc2)C(C)C)cc1 1866958823 BEZXGGNOAOHHLT-LOSJGSFVSA-N 425.532 5.103 30 10 IKEE CN1CCN(c2cc(Nc3ccccc3C#N)nc(C(C)(C)C)n2)C[C@H]1c1ccc(F)cc1 1868351162 RAZHONQDIYDCLV-QFIPXVFZSA-N 444.558 5.022 30 10 IKEE N#Cc1nnn(Cc2ccc(Cl)cc2Cl)c1NC(=O)c1ccc(-c2ccccc2)cc1 1870105401 QJCSPQMFFCGEPR-UHFFFAOYSA-N 448.313 5.424 30 10 IKEE C=CCOc1cn(C[C@H](O)c2ccc(Cl)cc2)c(CSc2ccccc2)cc1=O 1870246194 SBWCAXIBZXCHNG-QFIPXVFZSA-N 427.953 5.092 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(C(=O)OC)o2)c(=O)cc1CN(CC)CC 1870557626 ZKKZSNSMMIUFOL-UHFFFAOYSA-N 446.588 5.009 30 10 IKEE CCCCCCCOc1cn(CCCC)c(CNc2ccc(C(F)(F)F)cc2)cc1=O 1870830508 RRJMJGDSNAUTBG-UHFFFAOYSA-N 438.534 6.629 30 10 IKEE CCCCCCCOc1cn(Cc2ccncc2)c(CNc2ccccc2CC)cc1=O 1870836437 WNUXOPRPSIHQBJ-UHFFFAOYSA-N 433.596 5.815 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(OC)cc2)c(CNc2ccccc2)cc1=O 1870838523 IBPOKPSGPLMOFU-UHFFFAOYSA-N 434.580 5.867 30 10 IKEE C=CCn1cc(OCCCCOc2ccccc2)c(=O)cc1CNc1ccc(C)cc1C 1871226329 ZAZNTBVOXNDVHU-UHFFFAOYSA-N 432.564 5.501 30 10 IKEE Cc1nc(-c2ccc(Oc3ccc(F)cc3)cc2)sc1C(=O)Nc1cccc(C#N)c1 1871278192 PUJOLDLBWWOYKL-UHFFFAOYSA-N 429.476 6.174 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1c(F)cccc1Cl)O3)CN(CCCOC(C)C)CO2 1871346236 QZYWYIMXTOZALT-NHDPSOOVSA-N 445.918 5.371 30 10 IKEE Cc1c(OC(=O)c2ccc(-n3cccc3)cc2)ccc2c1O/C(=C\c1ccccc1F)C2=O 1871384174 KTOSUVHFNKEFAB-JLPGSUDCSA-N 439.442 5.760 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccncc2)C3=O)c1 1871412146 POTBQUOJTNANFF-PVFDWLMNSA-N 428.488 5.029 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccccc1)C2=O 1871430040 AEVIHLCUENEGNF-JVMBGAFUSA-N 427.500 5.634 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccc(C(C)(C)C)cc3)ccc2C1=O 1871445085 IWFDRWZWCKELTQ-MYYYXRDXSA-N 441.527 5.926 30 10 IKEE CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2cccs2)C3=O)cc1 1871449024 REJWCTBBMXSDBG-GLFIFPSUSA-N 447.512 5.281 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2)C3=O)cc1 1871450491 HDRIYEWZROJRJW-AOBKZXEFSA-N 441.527 6.142 30 10 IKEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1cccs1 1871829539 HCIMPTPCVKWCRA-HXUWFJFHSA-N 434.627 5.102 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1871858691 SZTVVMUWPZLMOR-HSZRJFAPSA-N 446.588 5.063 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1871861985 VLRHUWLVZZHWGF-QHCPKHFHSA-N 446.588 5.207 30 10 IKEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1871871846 VVDILZGEPOKJKU-JOCHJYFZSA-N 449.016 5.187 30 10 IKEE COc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3C)cs2)c(C(C)(C)C)c1 1872769725 YEAYPZXHGABXEP-FQEVSTJZSA-N 448.588 5.988 30 10 IKEE Cc1ccc(C)c(-c2csc([C@H](C#N)C(=O)CCCOc3ccc(C(C)(C)C)cc3)n2)c1 1872771869 DULVNUNBVUNSBE-HSZRJFAPSA-N 446.616 6.760 30 10 IKEE COc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)c(OC)c1 1872773573 QSALENJHKRXOMX-FQEVSTJZSA-N 434.561 5.544 30 10 IKEE COc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)c(OC)c1 1872778641 PPSIRRLOHWJJFI-DJGBTNNQSA-N 446.572 5.951 30 10 IKEE CCCCCCCCCCNC(=O)c1cccc(COc2ccc(C(F)(F)F)cc2)c1 1872843179 SRJZEGMJHXQPDW-UHFFFAOYSA-N 435.530 7.155 30 10 IKEE CCCCCCCCN1C(=O)C(NCCc2ccc(F)cc2)=C(c2ccccc2C)C1=O 1873098514 QOSCRYKWKGMKCO-UHFFFAOYSA-N 436.571 5.407 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2C(C)(C)C)=C(c2cccc(Br)c2)C1=O 1873228668 WXYBXTVMWHKDGP-UHFFFAOYSA-N 439.353 5.125 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cccc(OC)c2)=C(c2ccccc2)C1=O 1873413019 HYCGDNBEHGKUTP-UHFFFAOYSA-N 434.580 6.028 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(Cl)c2C)cc2c(NCc3ccc(C)cc3)ncnc21 1873642046 ZHCBMSWVTPIGMV-UHFFFAOYSA-N 445.954 5.752 30 10 IKEE CCCOc1ccc(/C=N/n2c(CCc3ccccc3Cl)nnc2SCC)cc1 1874276224 AFIPOQZUQWWZRO-LFVJCYFKSA-N 428.989 5.500 30 10 IKEE CCCCC1CCC(c2nnc(SCC)n2/N=C/c2cccc(Br)c2)CC1 1874285072 NRNVRXNVIWXVNS-HZHRSRAPSA-N 449.462 6.499 30 10 IKEE Cc1ccc(CCc2nnc(SCc3cccc(F)c3)n2/N=C/c2cccnc2)cc1C 1874330795 FSLIDVYSNSZDSB-LQKURTRISA-N 445.567 5.389 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2/N=C/c2ccncc2)cc1 1874350960 MVQRBIXKECTCCM-CVKSISIWSA-N 449.967 5.100 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3C)n2/N=C/c2ccc(F)cc2)c1 1874361621 PBHWYKKNQQHNDP-OGLMXYFKSA-N 444.579 5.994 30 10 IKEE C=CCSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1cc(Br)ccc1O 1874400296 NHTGDLXAYDSUOR-CYGNYLSHSA-N 443.370 5.058 30 10 IKEE COc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCc2ccccc2F)cc1 1874412454 OVOSDZLLAPZKQX-ZVHZXABRSA-N 438.553 5.253 30 10 IKEE O=[N+]([O-])c1cccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2-c2ccccc2)c1 1874430625 RBHXRTJBUUZNSQ-ZVHZXABRSA-N 449.923 5.681 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3cccc(F)c3)nnc2[C@H]2CCCO2)c1 1874448325 YUTVGJFVRPXUMV-JAMLUQCHSA-N 440.544 5.232 30 10 IKEE Cc1cccc(CSc2nnc(C3CCCC3)n2/N=C/c2ccc(O)c([N+](=O)[O-])c2)c1 1874452795 NJQUMTMNYOCIAM-YDZHTSKRSA-N 437.525 5.032 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2-c2ccco2)c(OC)c1 1874463882 GVCZDFAJRVPZBZ-ZVHZXABRSA-N 434.521 5.038 30 10 IKEE CCCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1/N=C/c1cccc(Cl)c1 1874478126 UXLHFRNLYLLRED-YDZHTSKRSA-N 446.960 5.218 30 10 IKEE CCCSc1nnc(C2CC2)n1/N=C/c1ccc(OCCc2ccccc2)c(OC)c1 1874520857 YXSMHAGEGAFSGN-KOEQRZSOSA-N 436.581 5.170 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(S)n1/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 1874561095 DDAGOHACRAIATA-AEIQVQRHSA-N 448.979 5.833 30 10 IKEE Cc1ccccc1COc1ccc(Cl)cc1/C=C/C(=O)c1cc(C(C)(C)C)ccc1C 1874590505 LUYVDBBUWMZBPQ-SDNWHVSQSA-N 432.991 7.729 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1OCC(=O)Nc1ccc(F)cc1 1874596947 MCWRLNXLGRJKPY-VZUCSPMQSA-N 449.478 5.065 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1cccc(OCc2ccc(F)cc2)c1 1874599675 YPAPPXPULPUMIU-JXMROGBWSA-N 431.290 6.616 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1cccc(F)c1 1874601921 KMZUKGIYPREMNZ-MDZDMXLPSA-N 437.423 5.226 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Br)cc2)cc(Cl)c1OCCCO 1874607791 GQGFFMSJXFYJEA-RUDMXATFSA-N 439.733 5.159 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc(Br)cc1 1874607985 QCRWTFNBKUIPPG-LHHJGKSTSA-N 427.725 6.578 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1OCc1ccc(F)cc1 1874616567 IEVUYCLYERDVMF-MDWZMJQESA-N 435.451 5.916 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)cc2)cc1C 1874628990 HHEMCXHFZFLQMQ-GXDHUFHOSA-N 441.571 6.451 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC1CCCCC1 1874660844 SALIXMVNNQPWIT-VWLOTQADSA-N 439.644 5.642 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccccc3[N+](=O)[O-])c2)cc1 1874707604 MSZMADJHJUGWJW-LFIBNONCSA-N 429.472 6.008 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)c2)cc1 1874709857 LRYMQEKKUUJFLJ-LYJOJXBRSA-N 444.958 7.069 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2c(F)cccc2Cl)cc1)c1ccc2c(c1)CCCC2 1875096976 NYEYUPMUMZFVPL-XNTDXEJSSA-N 434.894 6.473 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccc2c(c1)CCCC2 1875097034 ROPMBGAJYFVNPV-XNTDXEJSSA-N 427.456 5.589 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OC(=O)[C@H]1CCCO1 1875097760 BGZOXVSZZXXFTA-IGQYLQMFSA-N 446.543 5.283 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3ccccc3)cc2)cc1OC 1875099224 XBIDDXLWWRILRR-FOWTUZBSSA-N 446.499 5.365 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)ccc1OC(=O)c1cccc(OC)c1 1875101267 QHFWFTYUEIBNTF-ACCUITESSA-N 432.472 5.218 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c(Cl)c2)c1 1875102261 DESNGYPMVQDOEY-CSKARUKUSA-N 437.835 5.372 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(Cl)c2)c1 1875102637 LBFCHAUOEMOAPK-VZUCSPMQSA-N 437.835 5.372 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3[nH]c4ccc(C)cc4c3C)cc2)c1 1875103076 WJXRJNIDOXDXTA-GXDHUFHOSA-N 425.484 5.909 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cncc(C)c3)c(Cl)c2)cc1 1875106875 PBPKKWNLGSWLLM-XYOKQWHBSA-N 433.935 6.501 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)ccc1OC(=O)c1ccc(CC)cc1 1875109192 AZBJNHBVEDIJRZ-NTEUORMPSA-N 444.527 6.080 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1 1875129878 YEEVZFUVTLMTHG-LHHJGKSTSA-N 441.310 6.507 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)c1ccc(F)cc1 1875166724 PZSMURWFEVJLRL-AWNIVKPZSA-N 448.490 5.965 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3C)c(Cl)c2)c(C)c1C 1875168128 VEABDROKFXBHRA-FMIVXFBMSA-N 434.919 6.389 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2cnccn2)c(Cl)c1 1875180224 IVNAOSINXGWBRC-HWKANZROSA-N 443.286 5.216 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc(OC)c1OC(=O)CC(C)C 1875190364 GXUTVFRPUOZNIS-JXMROGBWSA-N 447.358 6.578 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC(C)(C)C)c([N+](=O)[O-])c2)c2ccccc12 1875192618 UJWBAUAZDBYENO-FMIVXFBMSA-N 447.487 5.994 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc21 1890571102 JMHQSSSOHNEKEG-UHFFFAOYSA-N 433.335 5.112 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)CCc3ccc(Cl)cc3Cl)ccc21 1890678151 XVPYCFVBTQEIKH-UHFFFAOYSA-N 447.362 5.502 30 10 IKEE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(C#N)(CC)CC 1985181490 WSNZKRFJZVBWEW-KOSHJBKYSA-N 447.579 5.138 30 10 IKEE C#CCCCCCNC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)CC 1995007484 WFYDHTPVBGJFJH-FQRUVTKNSA-N 446.591 5.250 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)C1(CCF)CCN(C(=O)OC(C)(C)C)CC1 2023619731 UJYUEKDCBSIEAV-JOCHJYFZSA-N 434.596 5.114 30 10 IKEE C=C(COCc1ccccc1)C(=O)[C@]1(O)CN(Cc2ccccc2)C2(CCCCCC2)C1 2038916650 IXMLXKJBWPGVTP-MUUNZHRXSA-N 433.592 5.059 30 10 IKEE O=C(C=Cc1cn(-c2ccccc2)nc1-c1cccc(Br)c1)c1cccs1 2053498944 VNZPCJPEJWDQNC-UHFFFAOYSA-N 435.346 6.259 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)[C@H]2CCCC[C@H]21 2058930097 QLEJZBJUFGRGAJ-DFIYOIEZSA-N 447.620 5.628 30 10 IKEE C=CCC[C@@H](C)[C@H](NCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071265148 PAYROKWXPPNPOA-BTYSJIOQSA-N 429.604 7.098 30 10 IKEE C#CC[C@@H](C[C@@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC)C1CC1 2076099350 PAYAWQVYQCUYPU-CCDWMCETSA-N 442.644 5.294 30 10 IKEE Cc1ccc([C@@H](n2nc(C(C)C)c(/C=N/O)c2I)C2(C)CC2)cc1 2078980399 DFXVWRBGDBUZLW-LASGFXPTSA-N 437.325 5.117 30 10 IKEE COC(=O)c1c(C(C)(C)C)nn(Cc2ccc(C(F)(F)F)c(F)c2)c1C(F)(F)F 2079023832 VPHQTAVVIILSAD-UHFFFAOYSA-N 426.332 5.192 30 10 IKEE COC(=O)c1c(C(C)(C)C)nn(Cc2cc(F)ccc2C(F)(F)F)c1C(F)(F)F 2079026286 YZVNWJMSGQDINE-UHFFFAOYSA-N 426.332 5.192 30 10 IKEE CCCc1ccc([C@H](CC)n2nc(C3CCC3)c(C#N)c2I)cc1 2079855485 MJIWJDGIZDRTLN-SFHVURJKSA-N 433.337 5.579 30 10 IKEE CC(C)(C)[C@H](c1ccc(C2CCC2)cc1)n1nc(C(F)F)c(C=NO)c1Br 2080012955 WMMKXYRGCCNRPY-KRWDZBQOSA-N 440.332 6.294 30 10 IKEE Cc1ccc2c(c1)CC[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2163708136 VKSPXJOVGBUWNU-QFIPXVFZSA-N 427.342 5.864 30 10 IKEE CC(C)(C)OC(=O)NCC(C)(C)C1CCN(c2cc(Br)cc(C#N)c2)CC1 2174807847 HFBMTQYUUJEZHC-UHFFFAOYSA-N 436.394 5.088 30 10 IKEE C[C@@H]1CCCN(c2cc(Br)ccc2C#N)[C@@H]1CCCNC(=O)OC(C)(C)C 2174808030 JGDOLDGRIKHQSA-CRAIPNDOSA-N 436.394 5.231 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@](C)(C#N)c1ccc(CN)cc1 2187552721 QATYZZQEFRPXCF-NRFANRHFSA-N 430.346 5.088 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)cc1Cl 2230378031 OUUCXILSKVHKMJ-QZTJIDSGSA-N 443.813 5.450 30 10 IKEE CCCCCC#CC[C@H](N)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237416999 IKAFURBEIQCSDP-VQTJNVASSA-N 437.422 5.186 30 10 IKEE C=CCCC1([C@H](NC)c2cc(Br)ccc2F)CN(C(=O)OC(C)(C)C)C1 2266298448 JWGBYVHFHRPIAA-QGZVFWFLSA-N 427.358 5.052 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCN(c2c(Br)cccc2C#N)c2ccccc21 2285186043 KRJBSKNKMIQVQZ-KRWDZBQOSA-N 428.330 5.428 30 10 IKEE C=CC[C@H](C)[C@](C)(OCCC(=O)O)c1cc(Br)c(Br)s1 2292066683 MVAATXNNJIIESI-XPTSAGLGSA-N 426.170 5.192 30 10 IKEE CCN[C@@H](C#Cc1cccc(Br)c1)CC(C)(C)[C@@H](C)NC(=O)OC(C)(C)C 2296274252 SVVJBFWSYYACCA-APWZRJJASA-N 437.422 5.108 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)CCN(C(=O)OC(C)(C)C)C(C)C 2296311163 SVNXPKSHIMDALC-HXUWFJFHSA-N 437.422 5.204 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(OCc3ccccc3)cc2)SC1=Nc1ccccc1 2296737771 NCUQQABARUJCAN-UHFFFAOYSA-N 426.541 6.056 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@@H]3C[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)c1 2308986712 QCDKBHLHDFTRFC-OFHLLDISSA-N 441.572 5.322 30 10 IKEE COc1ccccc1C(=O)Oc1ccccc1C=CC(=O)c1ccc(-c2ccccc2)cc1 2314429377 FUZIFPPMZVXMOP-UHFFFAOYSA-N 434.491 6.478 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2Oc3cc(C)c(C)cc3C2=O)c(C)c1 2314519656 XCFWZMJJEWVFTG-UHFFFAOYSA-N 436.511 6.089 30 10 IKEE CCCOc1c(Cl)cc(C=Nn2c(S)nnc2COc2ccccc2)cc1Cl 2318414652 DZYKMBFXDQSTMS-UHFFFAOYSA-N 437.352 5.124 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@H](C#N)[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 2321296836 HRAVUSKTUCLIAW-RTBURBONSA-N 445.535 5.249 30 10 IKEE Cc1cc(OCc2cccc(F)c2)cc2c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O2 2321899007 SJNSAEGWRVYQHD-UHFFFAOYSA-N 429.274 6.636 30 10 IKEE CCc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCC2=CCCCC2)C4)cc1 2322107755 SGRHUZCEXGPGQT-UHFFFAOYSA-N 429.560 6.216 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(Cl)cc2C=CC(=O)c2ccc(C)cc2C)c1 2322572887 JEZBEEJMIBDOOY-UHFFFAOYSA-N 433.935 6.179 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(C)c(C)c2)c1OCC(=O)Nc1ccccc1 2322894457 XHYGDHXUUYMNEX-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1OCC(=O)NC1CCCCC1 2323047413 BRRLUGGNYLEIBA-UHFFFAOYSA-N 443.543 5.572 30 10 IKEE CCCCCCCCNC(=O)[C@H](NC(=O)C=Cc1cccc(Cl)c1)c1ccccc1 2323144456 JTAHZLPZPJZNKZ-XMMPIXPASA-N 426.988 5.687 30 10 IKEE C=C(C)COc1c(OC)ccc(C=CC(=O)c2ccc(C(C)C)cc2)c1Br 2323208253 YQARHNRYBNYMRI-UHFFFAOYSA-N 429.354 6.432 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC)c3ccccc23)cc1OCc1ccccc1F 2323328074 WGQYEIVZXTXBLV-UHFFFAOYSA-N 442.486 6.471 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)cc1 2323791868 UIGHRVNLTXPMHP-UHFFFAOYSA-N 443.499 5.295 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OCc1cccc(Cl)c1 2323896042 FDAZJNCNZYOTSP-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Cl)c1OCc1ccc(C)cc1 2324245285 LXRNIEMTDWKTEP-UHFFFAOYSA-N 442.889 6.800 30 10 IKEE CC(C)c1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccc(F)cc4)ccc3C2=O)cc1 2324305853 UZXSFAIXSNXOJB-QGZVFWFLSA-N 445.490 5.971 30 10 IKEE Cc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1ccccc1Cl)C2=O 2324412861 YUKIEMOQBVAGQJ-QGZVFWFLSA-N 447.918 5.979 30 10 IKEE N#C[C@H](C(=O)C=Cc1ccccc1Cl)c1nc(-c2cccc(Br)c2)cs1 2324439317 MOLJQIAVKPHHAG-MRXNPFEDSA-N 443.753 6.116 30 10 IKEE Cc1ccsc1C=C1Oc2cc(O[C@H](C)C(=O)Nc3cccc(C)c3C)cc(C)c2C1=O 2324505856 YIUFEVTYXFIISV-GOSISDBHSA-N 447.556 6.004 30 10 IKEE Cc1cc(OCCCCOc2ccccc2)cc2c1C(=O)C(=CC=Cc1ccccc1)O2 2324584976 DNUKVPJKCGHJOB-UHFFFAOYSA-N 426.512 6.405 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2OC)ccc1OCc1ccccc1F 2324706422 GRZHDIIMJZRIBP-UHFFFAOYSA-N 440.898 6.362 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2OC)ccc1OCc1cccc(Cl)c1 2324708393 OCZSTDKFIBISON-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE CCOC(=O)c1ccc(COc2cc(C)c3c(c2)OC(=Cc2ccc(OCC)cc2)C3=O)o1 2325402325 MJNQFRKFBIMUKE-UHFFFAOYSA-N 448.471 5.359 30 10 IKEE COc1ccc(CCOc2ccc3c(c2C)OC(=Cc2ccc(N(C)C)cc2)C3=O)cc1 2325631740 RFNVGACNIVGCCC-UHFFFAOYSA-N 429.516 5.307 30 10 IKEE CCCCCCOc1ccc(NC(=O)C(=O)C=Cc2ccc(Br)cc2F)cc1 2325702810 WOXVYCNKPYLSTD-UHFFFAOYSA-N 448.332 5.768 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(OC(=O)C3CC3)c(OC)cc2Br)cc1 2325705174 MPSNBSUSZPYLFE-UHFFFAOYSA-N 429.310 5.232 30 10 IKEE Cc1cc(Cl)ccc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccccc1)C2=O 2325716553 WAKVOWCMKXXCIG-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE COc1ccc(C(=O)Oc2cc(C=CC(=O)c3cc(C)ccc3OC)ccc2OC)cc1 2325742407 QRPPGELGODTWPA-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE O=C(C=Cc1cccc(OC(=O)C23CC4CC(CC(C4)C2)C3)c1)c1ccc2c(c1)OCCO2 2325745604 CNWDKGWUXDQERG-UHFFFAOYSA-N 444.527 5.476 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc1OC(=O)CC(C)(C)C 2325763177 LSBCAAKHHTXWIZ-UHFFFAOYSA-N 430.928 5.903 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)c3ccccc3-c3ccccc3)c2)c(C)c1 2325764840 LMRKDUYSRRYRKU-UHFFFAOYSA-N 446.546 7.394 30 10 IKEE CCCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc(F)cc1F 2326608009 OBXKECYKHREYDL-UHFFFAOYSA-N 436.531 5.879 30 10 IKEE CSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1ccc(C(F)(F)F)cc1 2327147451 IOIIOZLQPOMLBZ-UHFFFAOYSA-N 434.487 5.221 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(COc3c(C)ccc(C)c3C)nnc2SC)cc1 2327233298 DNBWIQLFHUJSFD-UHFFFAOYSA-N 437.613 5.233 30 10 IKEE CCCCCOc1ccc(C=Nn2c(CCCOc3ccccc3)nnc2SC)cc1 2328710853 MPDZREDGFCFHJL-UHFFFAOYSA-N 438.597 5.463 30 10 IKEE Cc1ccc(CSc2nnc(COc3cccc(C)c3C)n2N=Cc2ccccn2)cc1 2328818592 IZRJDQTWXLOGNJ-UHFFFAOYSA-N 443.576 5.352 30 10 IKEE COc1ccc(C=Nn2c(Cc3ccc(Cl)cc3)nnc2SCc2ccccc2)cc1 2329101012 GVCGQXDXOHPBOK-UHFFFAOYSA-N 448.979 5.705 30 10 IKEE Cc1ccc(C=Nn2c(SCc3ccccc3F)nnc2-c2ccccc2Cl)cc1 2329578329 XCALFEFMJAWFOR-UHFFFAOYSA-N 436.943 6.221 30 10 IKEE Cc1ccc(CSc2nnc(CCc3cccs3)n2N=Cc2ccc(O)cc2)cc1 2329629377 XMXSFRUGEUTWBT-UHFFFAOYSA-N 434.590 5.313 30 10 IKEE Cc1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2[C@@H](C)c2ccccc2)cc1 2330066024 DEDFMXDJHLAUMN-IBGZPJMESA-N 430.552 6.052 30 10 IKEE CC(C)CC(=O)Oc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1Br 2330627412 XNYPRZPQDRLVIV-UHFFFAOYSA-N 432.270 5.205 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)cc2F)c(Cl)c1)c1cccc([N+](=O)[O-])c1 2330627515 MISQXUVDNNNNEV-UHFFFAOYSA-N 443.789 5.642 30 10 IKEE CCc1ccc(C=Nn2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccccc2)cc1 2330653437 GODQRIGWJFVXCK-UHFFFAOYSA-N 443.532 5.590 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2cccnc2)c(Cl)c1 2330695707 WTPNGNSOZQTAQQ-UHFFFAOYSA-N 440.359 5.821 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1 2330825715 SVEXZCLDSBVVDF-UHFFFAOYSA-N 443.499 6.361 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)(C)C)n2N=Cc2c[nH]c3ccccc23)c1 2330849437 LJURMXBZLDLFJY-UHFFFAOYSA-N 431.609 6.139 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc(Br)c1OC(=O)C1CCCC1 2331182720 DNVLBFMVXJHVSM-UHFFFAOYSA-N 443.337 5.840 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)COc1cccc(C)c1C 2331330124 ZAULFKOPRGEPHI-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCc3ccccc3C)nnc2C(C)(C)C)cc1 2331366380 SLWFBASHCDUSKL-UHFFFAOYSA-N 436.625 6.237 30 10 IKEE CCSc1nnc(C(C)(C)C)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2331390635 WCFHQSCFEOIPGL-UHFFFAOYSA-N 428.989 5.802 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(F)c2)cc(OC)c1OC(=O)CC(C)C 2331464320 YMGBOXNWYNNULR-UHFFFAOYSA-N 426.484 5.419 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1 2331470193 QZTWUDFTBXBIJE-UHFFFAOYSA-N 436.507 6.283 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H](C)c3ccccc3)c([N+](=O)[O-])c2)cc1 2331498472 UMUBJURYHYJROY-LJQANCHMSA-N 443.499 6.323 30 10 IKEE O=C(Cc1ccc(Cl)cc1)Oc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1Cl 2331556943 FDKYBRVBEMHTPD-UHFFFAOYSA-N 447.264 6.316 30 10 IKEE CC(C)c1nnc(SCc2cccc3ccccc23)n1N=Cc1cn(C)c2ccccc12 2331705793 MMAZDZSDCFRTAL-UHFFFAOYSA-N 439.588 6.221 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C(C)C)c1 2331709612 QDBSQUGEDUSZRI-UHFFFAOYSA-N 435.380 5.897 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc(Cl)c1OC(=O)C1CCC1 2331753791 ZHKRENLRKLRREC-UHFFFAOYSA-N 449.330 5.921 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(F)c3)c(Cl)c2)cc1Cl 2331818833 INMGEWFTSVQBQK-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE C=CCN(CC[C@H](NCC)c1cc(Br)cc(COC)c1)C(=O)OC(C)(C)C 2362279656 XATISGPCGKUMNE-IBGZPJMESA-N 441.410 5.059 30 10 IKEE C=CCC(CC=C)[C@H](NC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2364000172 XZMFFWPTFUSHRR-UXHICEINSA-N 437.422 5.241 30 10 IKEE CO[C@H](C#C[C@@H](N)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1)C1CCCC1 2369630281 AWIXOXQBGIRTOS-RTBURBONSA-N 437.378 5.005 30 10 IKEE Clc1ccc(-c2nc3cc(/N=C/C=C/c4cccc(Br)c4)ccc3o2)cc1 1922476 ZPTKRPYBZLHYHB-FGZXAJGVSA-N 437.724 7.326 30 10 IKEE Cc1ccc(-c2ccc(CCC(=O)NCc3ccncc3)n2-c2ccc(CC#N)cc2)c(C)c1 23460735 MIXCDOSODRYHLJ-UHFFFAOYSA-N 448.570 5.471 30 10 IKEE O=C1/C(=C/c2ccc(Br)cc2)S/C(=N/c2cccnc2)N1C1CCCCC1 39863157 CGSICEASRCZEJH-RXBBGTROSA-N 442.382 5.781 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1ccc(F)cc1 40093538 DTITXSBXQIZLNO-QFIPXVFZSA-N 425.500 5.300 30 10 IKEE C=CCc1ccccc1OCCn1c(CNC(=O)c2ccccc2Cl)nc2ccccc21 40277277 JMYDZJVSAVBWAR-UHFFFAOYSA-N 445.950 5.427 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(-c4ccccc4)cc1)O3)CN(C1CCCC1)CO2 41649751 GBFRHBFOYWORQM-QQXSKIMKSA-N 437.539 6.373 30 10 IKEE CCN(CC)C(=O)[C@H]1CCCN(c2ccc(C(F)(F)F)cc2/N=C/c2ccccc2O)C1 59463187 GBJVJBFHWJWQRC-UEYIPHHSSA-N 447.501 5.246 30 10 IKEE O=C(/N=C(/NCCc1c[nH]c2ccccc12)Nc1ccccc1F)c1cccc(Cl)c1 85581370 RJCOITGPVSRKHC-UHFFFAOYSA-N 434.902 5.401 30 10 IKEE O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1ccc(Cl)cc1Cl)c1c(O)n[nH]c1N2 98036613 OSLRUHKYCJWBAF-JDNHERCYSA-N 432.332 5.442 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1sc2c(c1C#N)CCCC2 100443416 HHHMJWFYKJNECU-UHFFFAOYSA-N 447.714 7.013 30 10 IKEE O=C(O)c1cccc(/N=C2/S/C(=C\c3ccccc3[N+](=O)[O-])C(=O)N2c2ccccc2)c1 101133225 HPGMIWRRNLWFBC-QIEPSYMVSA-N 445.456 5.102 30 10 IKEE CCOc1cc(/C=C2\S/C(=N\C)N(C)C2=O)ccc1OCc1ccc2ccccc2c1 101696063 FFBCYWJTOBHJQY-JWMLTMDESA-N 432.545 5.349 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2)S/C(=N/N=C\c2ccc(O)cc2)N1Cc1ccco1 101916374 PDOVIQGBJXRZLU-SKPWDWTKSA-N 437.908 5.145 30 10 IKEE CCCCCCCn1c(CCCCCNC(=O)/C=C/c2ccccc2)nc2ccccc21 102174437 JNKMNHKRGHOZRB-QZQOTICOSA-N 431.624 6.549 30 10 IKEE O=C(/C=C\c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O 103017570 FYNBSVPJWWVETR-BALVHSCJSA-N 437.278 6.228 30 10 IKEE CCCCCCCCOc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2N(CC)CC)cc1 105455169 ZOWTVBCBVGRYSS-LHLOQNFPSA-N 425.573 6.931 30 10 IKEE CCN1C(=S)N[C@@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C(C(C)=O)=C1C 169933439 FLZWGULQYHYOLE-NRFANRHFSA-N 449.403 5.687 30 10 IKEE CCCCCCCCCOc1ccc([C@H]2NC(=S)N(C)C3=C2C(=O)CCC3)cc1Cl 169936941 DLKHQHACSWCJOR-HSZRJFAPSA-N 449.060 6.338 30 10 IKEE CCCCCCCCCOc1ccc([C@@H]2NC(=S)N(C)C3=C2C(=O)CCC3)c(Cl)c1 169936951 HPKULMQPZGZVBX-QHCPKHFHSA-N 449.060 6.338 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccc(O)cc1)c1cccc(Cl)c1 169961699 DRAZVWMKTDMICV-HXUWFJFHSA-N 440.282 5.482 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccccn2)cc1 169991851 VOMMHCMEMPXWJI-AREMUKBSSA-N 448.522 6.141 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1C1CCCCC1 170123741 FCNRJRAXUVMDJZ-QHCPKHFHSA-N 431.488 5.352 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccc(O)cc2)cc1 170133050 ITRNWWQCTQUINE-RUZDIDTESA-N 439.511 5.362 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC(C)C)c3)[C@H]2c2cccs2)cc1 170159491 NYAAPCVXCLYXCU-HSZRJFAPSA-N 447.556 5.874 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccccc2)c1 170221396 RMICZRVWUAKXST-QHCPKHFHSA-N 425.440 5.224 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 170226562 KLFFQTICHQOZDD-QFIPXVFZSA-N 433.891 5.522 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccc(O)c2)ccc1Cl 170259735 PZEPHLMCUFJLQB-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2ccccc2C)cc1 170272590 GSLBGTVJTPHDTE-DEOSSOPVSA-N 425.484 5.021 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccco2)ccc1OCC(C)C 170281766 DQJSLHCEUCQDKI-QHCPKHFHSA-N 449.478 5.545 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)[C@@H]2c2ccco2)cc1 170287745 UIHWHRSZNYTIKC-NRFANRHFSA-N 433.847 5.771 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@@H]1c1ccc(C)o1 170302625 ADRKVUSWQNOKIK-JOCHJYFZSA-N 435.451 5.135 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cccc(OC)c2)cc1 170362026 WBUCMANDAPEBAU-QFIPXVFZSA-N 449.528 5.328 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 170467383 XXZNSCQZNNHOMY-VWLOTQADSA-N 447.619 6.797 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(C(C)(C)C)cc1 170467548 ODYRIRPCXHVYIO-JOCHJYFZSA-N 449.547 5.271 30 10 IKEE CCC/N=C1\SC(=NN=Cc2ccccc2O)N(c2ccc(F)cc2)\C1=N/CCC 252611531 IKJDNYYQMRVVCM-PVAZKZOHSA-N 425.533 5.092 30 10 IKEE C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C/c1cccc(Cl)c1Cl)C2=O 253560231 ANTLLZHQDMIOLB-IBDCMNHLSA-N 447.446 6.959 30 10 IKEE CCOc1ccc(N=C2SCCCN2C(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)cc1 254607250 HKSMESIJIHQPHN-QGZVFWFLSA-N 447.604 5.958 30 10 IKEE COc1cc(/C=C2\SC(=Nc3ccccc3)N(C)C2=O)ccc1OCc1ccccc1 254814234 CXJNHLANPRLTRL-ZYITZIQLSA-N 430.529 5.508 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)cc1Cl)NCC 406136077 PBAZBBCPIQKLCO-SJORKVTESA-N 431.802 5.093 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(OC)c(Cl)c2)cc1 526605616 YESNMNNTGAMAFK-HSZRJFAPSA-N 446.890 5.286 30 10 IKEE CCOc1cc(/C=N\n2cnnc2SCc2ccccc2)cc(Cl)c1OCC(C)C 526798887 BBOVAKRUAKDBMZ-ROTLSHHCSA-N 444.988 5.540 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccccc2O)c(C)c1 526812404 SYBNYQHLNZLSKD-QQXSKIMKSA-N 428.561 5.366 30 10 IKEE C=CCC1([C@@H](NCC)c2c(Cl)cccc2Br)CN(C(=O)OC(C)(C)C)C1 722923511 RSOLBIYJUXRBPS-KRWDZBQOSA-N 443.813 5.566 30 10 IKEE C=C1CCC(C[C@@H](NC)c2cc(Br)ccc2I)CC1 724618057 NZZIGKXCHOUALC-MRXNPFEDSA-N 434.159 5.451 30 10 IKEE CC1(C)[C@@H](C(=O)Nc2ccccc2N=C/C=C\c2ccc([N+](=O)[O-])cc2)CC[C@]1(C)C(=O)O 1084468313 SQGJAJWFORJZOI-AIOWLKPGSA-N 449.507 5.476 30 10 IKEE N#C[C@H](c1ccc2c(c1)OCO2)N(Cc1ccccc1)C(=O)c1ccc(Cl)cc1Cl 1088717651 KJCBOXRGRWCNOZ-HXUWFJFHSA-N 439.298 5.629 30 10 IKEE COc1ccc(CCN2/C(=N/c3ccc(C)cc3)S[CH][C@@H]2c2ccccc2)cc1OC 1614592995 APJRPJYOSAQPIT-SKWYYERQSA-N 431.581 6.194 30 10 IKEE C=CCOc1ccc(/C=C2\SC(=Nc3nc(C)cs3)N(c3ccccc3)C2=O)cc1 1772739417 RGAGBZRUBNCXEW-VASVRFFCSA-N 433.558 5.825 30 10 IKEE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ncccc1OCc1ccccc1C#N 1858739702 ZUEBBISFJPJZIR-AWEZNQCLSA-N 442.302 5.245 30 10 IKEE C=CCN(CC=C)C(=O)Oc1cccc2c(NC(=O)c3ccc(CSC)cc3)cccc12 1858951832 QAXMNGFXIBSNNW-UHFFFAOYSA-N 446.572 6.128 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)Nc1cccc(C(=O)Nc2ccccc2C#N)c1 1860910082 XBRLMHYTJNEUAI-UHFFFAOYSA-N 440.286 5.378 30 10 IKEE CCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(OCCCCCC)cc1 1861525776 BUPOFVINVUHNHT-DEOSSOPVSA-N 430.633 5.727 30 10 IKEE CCCCCCCCCCNC(=O)c1cc(CCCC)n(Cc2ccc(Cl)cc2)n1 1862323197 RQXLJYYEJQVRTG-UHFFFAOYSA-N 432.052 6.798 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(O)cc1 1862382960 PVTJMBRODOMIOA-IBGZPJMESA-N 434.319 5.323 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1cccc([N+](=O)[O-])c1 1862384645 XBKDVIKHYFQQAW-SFHVURJKSA-N 449.290 5.136 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccc(Cl)cc2)cc1 1862474778 UXCCDHAEUQPRQY-DEOSSOPVSA-N 445.946 5.989 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OCC)cc1 1862478616 MAKXELHJXXEWEX-DHLKQENFSA-N 449.591 6.331 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc(C(F)(F)F)cc2)c1 1862495965 YODLYORNYXXPLD-HXUWFJFHSA-N 431.454 5.557 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CC)cc1 1862510962 HQHSJFJPWKZNNJ-JOCHJYFZSA-N 425.500 5.301 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862533943 PHYAFRSUVFCLGZ-VWLOTQADSA-N 441.527 5.426 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2cccc(O)c2)cc1 1862534169 RBCMGVKDKKLBOI-MZNJEOGPSA-N 427.500 5.294 30 10 IKEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2ccccc2C)cc1 1862589597 OIANXPTZINTGTL-MZNJEOGPSA-N 443.499 5.049 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccccc2F)cc1F 1862639211 TUMSDWVTRZOHMX-IQMFZBJNSA-N 449.453 5.313 30 10 IKEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(C)cc1 1862659650 BYYMPRNMTQBTIM-DEOSSOPVSA-N 434.580 5.039 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(O)c(O)c2)cc1 1862662004 FQSRQQXFYFOLMW-XMMPIXPASA-N 449.547 5.522 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 1862666384 CIHBERAOPNZJAD-HOYKHHGWSA-N 433.592 6.484 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1c(Cl)cccc1Cl 1862667813 KPNMJMDIYGZFFN-SZNDQCEHSA-N 446.374 6.494 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@@H]2c2ccccc2)cc1 1862688268 VPPSLTNWAGKQLM-JOCHJYFZSA-N 433.891 5.127 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Cl)c(C(F)(F)F)c2)=C(c2ccccc2Cl)C1=O 1863438082 GVXDTYCLDPVTAY-UHFFFAOYSA-N 441.236 5.390 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C(C)(C)C)cc2)=C(c2cccs2)C1=O 1863471551 BSWKBZOFBMOKQM-UHFFFAOYSA-N 438.637 6.598 30 10 IKEE N#Cc1nnn(-c2ccc(Oc3ccccc3)cc2)c1NC(=O)CCc1ccc(Cl)cc1 1870155820 HLAODXPTIFKKCN-UHFFFAOYSA-N 443.894 5.156 30 10 IKEE CCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1cccc(C(C)(C)C)c1 1871250915 CQUZWUZUTXGFRI-UHFFFAOYSA-N 443.591 6.009 30 10 IKEE CCCCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1cccc(OC)c1OC)C3=O 1871351959 JQHQEOPQNMXERH-HMAPJEAMSA-N 437.536 5.361 30 10 IKEE CC(=O)Nc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)c1 1871364767 JIFNIJJTDPPRQV-JJFYIABZSA-N 447.874 5.442 30 10 IKEE CCCC[C@H](Oc1cc(C)c2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O)C(=O)O 1871423006 LXOVHUBIAKALIA-KCBNLNMNSA-N 435.303 5.940 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(Cl)c(Cl)c3)n2)c(C)c1C 1872778789 UKHABEJROOXIJI-INIZCTEOSA-N 445.371 6.161 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(Br)c3)n2)c(OC)c1 1872783501 BCGDBYFKFRBQLA-MRXNPFEDSA-N 443.322 5.080 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@@H]2CCCC[C@@H]2C)=C(c2ccccc2C)C1=O 1873104868 MEJPEZAKEGYYRK-LADGPHEKSA-N 438.656 6.384 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cccc(N(C)C)c2)=C(c2cccnc2)C1=O 1873265646 UYAJBPANSLIBDL-UHFFFAOYSA-N 448.611 5.480 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(F)cc1)n2CCOC 1873621304 PDCKFLKFOKILQR-UHFFFAOYSA-N 441.551 5.242 30 10 IKEE CCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1/N=C/c1cccs1 1874194750 FRCXDLDLTFTZES-XQNSMLJCSA-N 428.627 5.643 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccc(Cl)cc3)n2/N=C/c2ccc[nH]2)cc1 1874262918 XWTKHCVNVVTLLT-DHRITJCHSA-N 437.956 5.322 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2/N=C/c2ccncc2)cc1C 1874359201 USPSNGXHQAYJNY-JFLMPSFJSA-N 447.995 5.709 30 10 IKEE CCCCOc1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SCC)cc1OC 1874375265 NRBLZVBQMIZVOW-PCLIKHOPSA-N 442.560 5.190 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1ccc(O)cc1 1874378102 FHJVGZZDMYTMBG-CVKSISIWSA-N 432.524 5.197 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2cc(Cl)ccc2O)cc1 1874415181 CJONAQCEUYVEKF-CVKSISIWSA-N 448.979 5.711 30 10 IKEE CCSc1nnc(Cc2ccccc2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874417351 ISKLTEABMPKMFT-NLRVBDNBSA-N 428.561 5.442 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3cccs3)n2/N=C/c2ccc(C(C)C)cc2)c1 1874422221 AKUJVRIQXWCYPC-CVKSISIWSA-N 446.645 6.921 30 10 IKEE Clc1cccc(CSc2nnc(-c3cccs3)n2/N=C/c2ccccc2Cl)c1 1874424372 HYFMPIMYWFLTGA-FSJBWODESA-N 445.400 6.488 30 10 IKEE CCOc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2c(F)cccc2Cl)cc1 1874492061 WYUPLHOBSQNQSS-DHRITJCHSA-N 446.979 5.842 30 10 IKEE Clc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2C2CCC2)cc1Cl 1874495911 LICMNXJZBMURER-ZVHZXABRSA-N 431.392 6.069 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1cccc(Cl)c1 1874577297 HOHFASMVXWMBHZ-BUHFOSPRSA-N 449.978 6.417 30 10 IKEE O=C(COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(Cl)cc1)Nc1ccccc1 1874577586 VQVLDMLALZMPIN-FOCLMDBBSA-N 441.914 6.407 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(Cl)cc(OC)c1OCCc1ccccc1 1874581653 ZGQJMPBIACXVRQ-ZHACJKMWSA-N 436.935 6.183 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)c1C 1874586935 MHCBQHVWFQASIV-ZRDIBKRKSA-N 439.382 7.702 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1cc(Cl)ccc1OCc1ccccc1C 1874589075 RNQGLBTZWLFERN-CSKARUKUSA-N 441.354 7.094 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccccc1OCc1cccc(Cl)c1 1874589115 UJZBIUUXPNTFHV-ZHACJKMWSA-N 427.327 6.786 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3cc(C)ccc3C)c2)c1 1874594031 OKGQRIIFSAURTQ-ZRDIBKRKSA-N 445.515 5.234 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OCc1ccc(Cl)cc1Cl 1874598934 MSMFPVUNTNWRHB-BJMVGYQFSA-N 441.354 7.094 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OCCc1ccccc1 1874618499 DSUZSSAHARBDPT-CCEZHUSRSA-N 426.556 6.558 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc4ccccc4c3)c2)cc1 1874693793 WOKSGFWLJYLMCZ-WOJGMQOQSA-N 434.535 7.253 30 10 IKEE O=C(COc1ccc(Cl)cc1)Oc1cccc(/C=C/C(=O)c2ccc(F)c(F)c2)c1 1874711403 ZPRNNXCVMSQGQK-NYYWCZLTSA-N 428.818 5.499 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(F)c(C)c2)CSc2nnc(CC(C)C)n21 1874885087 XUPYVSSFOVNFFT-NRFANRHFSA-N 446.636 5.986 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OC(=O)CC(C)C 1875097814 DNEUKMQCCAJLDJ-SDNWHVSQSA-N 432.560 6.150 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(CC)cc3)cc2Cl)cc1 1875100120 OYCUKWNMHJXMJD-VIZOYTHASA-N 434.919 6.416 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(OC)c1OC(=O)c1ccccc1F 1875101986 UUBQJUHHTZTVFY-DTQAZKPQSA-N 444.502 6.241 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)ccc1OC(=O)c1ccc(N(C)C)cc1 1875102790 FCLLWKVUWWHTDO-RQZCQDPDSA-N 443.543 5.829 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)ccc1OC(=O)c1ccc(F)c(F)c1 1875103084 LAHRTBHQGBOUKX-NTUHNPAUSA-N 436.454 6.041 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OC(=O)C(C)(C)C 1875105582 CAWDLRIAIAYPLL-DHZHZOJOSA-N 447.358 6.578 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3F)cc2)c1 1875120130 CWDDHHAJYULRBA-VZUCSPMQSA-N 438.426 5.026 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Br)c1OC(=O)C1CCC1 1875136783 JXRBOBCTVNHHFZ-FMIVXFBMSA-N 443.337 5.758 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3)c(OCC)c2)cc1 1875139172 VHGWUJPHXFGPFH-MHWRWJLKSA-N 430.500 5.989 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)Cc1cccs1 1875141051 LDGYZHRYLALOLM-RMKNXTFCSA-N 440.492 5.257 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 1875159557 GANRCSQFXVNCLQ-AWNIVKPZSA-N 449.434 5.177 30 10 IKEE CCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc1OC 1875180011 CTJJWOZKKDTWIT-CMDGGOBGSA-N 432.900 5.276 30 10 IKEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)c2ccc(-c3cccc(Cl)c3)cc2)CC1 1891185770 QXOBIIDXPWUWPW-UHFFFAOYSA-N 430.939 5.015 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)CCC[C@@H](C)C1 1922075886 AIVKYBLWHBITCC-UVWWXKGLSA-N 430.633 5.601 30 10 IKEE CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1938153997 ADDZCAULJGXZMM-YJBOKZPZSA-N 437.968 5.525 30 10 IKEE CC(C)(C)OC(=O)NCC[C@@H]1CC[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C1 1949122438 LGGLRIUYZKNRDK-SBUREZEXSA-N 449.617 5.462 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@]1(C#N)CCCC[C@@H]1OCc1ccccc1 1977479037 FYBBBPIECOFECD-XUZZJYLKSA-N 426.582 5.907 30 10 IKEE CC(C)(C)OC(=O)NC(C)(C)[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1991735857 KEDNOSBTVHZAMB-QFIPXVFZSA-N 437.968 5.667 30 10 IKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)C2(CCCC2)C1 2018644361 BSZPEERNGCNWDZ-HOYKHHGWSA-N 435.609 5.628 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1 2022132372 BZWUZYYAGDZAOU-YADARESESA-N 429.561 5.276 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@](C)(C#N)[C@@H]1CCCSC1 2029445227 ZPRIQKKCQUTTNH-AUUYWEPGSA-N 425.392 5.616 30 10 IKEE Cc1cccc(NC2=CC(=NS(=O)(=O)c3cc(C)c(C)cc3C)c3ccccc3C2=O)c1 2040469256 HSIDQRIZCQLRKF-UHFFFAOYSA-N 444.556 5.291 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 2059075462 XNUUKIPCPPIANZ-OFVILXPXSA-N 438.612 6.086 30 10 IKEE C=CCC[C@H](C)[C@@H](N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071353148 GBVCTKXVOYJIAX-TXQOIQMMSA-N 431.576 5.808 30 10 IKEE Cc1cc(C)c([C@H](n2nc(C(F)F)c(C=NO)c2Br)C2(C)CC2)c(C)c1 2079875403 TWVDIHBQNMDTHM-INIZCTEOSA-N 426.305 5.706 30 10 IKEE CC(C)Oc1ccc([C@@H](C2CCC2)n2nc(C(F)(F)F)c(C#N)c2Br)cc1 2080061331 MPBNAQWVINVFHB-MRXNPFEDSA-N 442.279 5.713 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@H](C(C)C)N(Cc3ccccc3)C2)c1 2090226610 JGZYBOUYTGXKDS-SQHAQQRYSA-N 449.595 5.630 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@]1(O)CN(Cc2ccccc2)C2(CCCCC2)C1 2100074124 HSZZMBFGYOOFGU-PXJZQJOASA-N 448.651 5.077 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Br)c(Cl)c1F 2102885778 VUVHIAMMZLAVEM-PBHICJAKSA-N 447.776 5.199 30 10 IKEE CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1Nc1ccc(C#N)c(Br)c1 2149850176 GWMVBYGNTVNWJI-APWZRJJASA-N 436.394 5.404 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(CCC[C@H]2Nc2ccc(C#N)c(Br)c2F)C1 2162323795 QIJOZJSIDIDTCO-QRWLVFNGSA-N 438.341 5.051 30 10 IKEE CCC[C@]1(CNc2cc(Br)cnc2C#N)CCCCN1C(=O)OC(C)(C)C 2167617288 PZCDKNKDKLATSV-HXUWFJFHSA-N 437.382 5.088 30 10 IKEE CC1(C)OB(c2cc(Cl)cnc2Oc2c(Cl)cc(Cl)cc2Cl)OC1(C)C 2172631049 XUOROUFWANNCQK-UHFFFAOYSA-N 434.943 5.787 30 10 IKEE CN(CC[C@H]1CCCCN1c1ccc(C#N)c(Br)c1F)C(=O)OC(C)(C)C 2174808622 QGEVIIIJUQFSIF-OAHLLOKOSA-N 440.357 5.076 30 10 IKEE CN(Cc1ccccc1NC(=O)OC(C)(C)C)c1cc(Br)c(C#N)cc1F 2174814551 JDGLIPIQUTXYQE-UHFFFAOYSA-N 434.309 5.443 30 10 IKEE Cc1cccc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)c(Br)c2)c1C#N 2181049819 ZLIQTNMISSCXTL-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE C=CCCCCCCCC[C@@H](O)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2207447444 INGDJNOHHRNSTO-HXUWFJFHSA-N 440.422 7.136 30 10 IKEE Cc1ccc(Br)c([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)c1 2228069726 LEYAOVLEJODIDT-SFHVURJKSA-N 435.749 6.417 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Br)c([C@H](O)C#Cc2cccc(Cl)c2)c1 2230998121 ZSAKTNVPJLSVFY-GOSISDBHSA-N 436.733 5.535 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)[C@@H](CCC(C)C)NC(=O)OC(C)(C)C 2235732501 SHVXAXQWTAOELV-VQTJNVASSA-N 437.422 5.108 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(CC[C@H](O)C#Cc2ccccc2Br)cc1 2235742054 WNNUKJXKJLHCPZ-IBGZPJMESA-N 430.342 5.141 30 10 IKEE Cc1cccc2c1CC[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2240131063 GCQWUGYDVCIEJI-QFIPXVFZSA-N 427.342 5.864 30 10 IKEE CC1(C)OB(c2ccc(NC(=O)Nc3cccc(OCc4ccccc4)c3)cc2)OC1(C)C 2282749768 PDZGPNHJIJLNQC-UHFFFAOYSA-N 444.340 5.209 30 10 IKEE CCN[C@@H](C#CC1CCCCC1)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2289681767 NUOXBXMEUVWUEC-IBGZPJMESA-N 435.406 6.030 30 10 IKEE Cc1cccc(N2C(=O)C(=C3Sc4ccccc4N3C)SC2=Nc2cccc(O)c2)c1 2295181995 POPSVHWYECIZRI-UHFFFAOYSA-N 445.569 5.879 30 10 IKEE CCCCCCCCC[C@@](C)(CO)N(Cc1cccs1)C(=O)OCc1ccccc1 2295531186 IXFFDEIPHPXQNN-VWLOTQADSA-N 431.642 6.779 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C(=O)C#Cc2cccc(Br)c2)(C(C)(C)C)C1 2296225020 QDIBIPFDOIBDDG-QFIPXVFZSA-N 434.374 5.043 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)C[C@@H](C)CCNC(=O)OC(C)(C)C 2296266139 DVHPTBZUIFGADK-FXAWDEMLSA-N 437.422 5.110 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)CCCN(C(=O)OC(C)(C)C)C(C)C 2296308240 FLBWUNANMAUUBT-HXUWFJFHSA-N 437.422 5.204 30 10 IKEE CCCOc1ccccc1C=C1SC(=Nc2ccccc2C)N(c2ccccc2C)C1=O 2296826765 OOPHUGDEBSWVEU-UHFFFAOYSA-N 442.584 6.901 30 10 IKEE Cn1cc(C=C2Oc3cc(OCc4c(F)cccc4Cl)ccc3C2=O)c2ccccc21 2296871301 LCLAOJOKGFXBDV-UHFFFAOYSA-N 433.866 6.166 30 10 IKEE C=CCSC1=NC(=Cc2ccc(OC(C)C)cc2)C(=O)N1c1ccc(OC)c(Cl)c1 2297337750 FPMODSGDTICMFM-UHFFFAOYSA-N 442.968 5.799 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 2297550430 QMIRZNGEMIBCFH-UHFFFAOYSA-N 427.327 6.867 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(Cl)cc2)c1)c1ccc(-c2ccccc2)cc1 2314429463 HVFLOPVCLLLYBV-UHFFFAOYSA-N 438.910 7.122 30 10 IKEE CC(C=NN=C1SC(=Cc2ccc(O)cc2)C(=O)N1Cc1ccco1)=Cc1ccccc1 2314841260 RYZFYQVDBCMFPR-UHFFFAOYSA-N 443.528 5.547 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(Br)cc2)SC1=Nc1ccc(C)cc1O 2314928503 WYDHOFRWWJPAHJ-UHFFFAOYSA-N 429.339 5.253 30 10 IKEE CC#CCN(C[C@@H](NCC)c1c(C)sc(C)c1Br)C(=O)OC(C)(C)C 2316114050 SQPOHPQGJVDWOH-OAHLLOKOSA-N 429.424 5.038 30 10 IKEE CC(C)COc1c(Cl)cc(C=Nn2c(S)nnc2C2CCCCC2)cc1Cl 2318414688 FRSNTGYSJGFXLW-UHFFFAOYSA-N 427.401 5.838 30 10 IKEE CCc1ccc([C@H](C)N2COc3cc(C)c4c(c3C2)OC(=Cc2ccc(F)cc2)C4=O)cc1 2322260136 FHFKWSPQWSBBMF-SFHVURJKSA-N 443.518 6.226 30 10 IKEE CCCOC(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc(Cl)c(Cl)c1 2322583089 QTKGFCIPNOEDFP-UHFFFAOYSA-N 427.711 5.875 30 10 IKEE COc1cccc(C=CC(=O)c2ccc3c(c2)OCO3)c1OCc1c(F)cccc1Cl 2322701161 XGJAKZQZXAATCP-UHFFFAOYSA-N 440.854 5.692 30 10 IKEE O=C(COc1cccc(C=CC(=O)c2ccc(Cl)cc2Cl)c1)NCc1ccco1 2323076031 SCBUOUKPTNOXHP-UHFFFAOYSA-N 430.287 5.178 30 10 IKEE Cc1cc(OC(=O)C(c2ccccc2)c2ccccc2)cc2c1C(=O)C(=Cc1ccco1)O2 2323208183 LRKDUUKRTKGZHC-UHFFFAOYSA-N 436.463 5.942 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O)c1ccc(Cl)c(Cl)c1 2323259109 GZNBXQHTDYZQQR-UHFFFAOYSA-N 437.278 6.385 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc1OCc1ccccc1F 2323295756 OOHPSMDXHXERSR-UHFFFAOYSA-N 440.898 6.280 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc([N+](=O)[O-])cc4Cl)c3C)C2=O)o1 2323303200 UXNNIXNTFILYOS-UHFFFAOYSA-N 439.807 5.293 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1OCC(=O)OCC(C)C 2323323664 QXLNEMVLBFKROU-UHFFFAOYSA-N 437.319 5.476 30 10 IKEE CCCNC(=O)COc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1OC 2323358218 DTUQKELQLOCLAZ-UHFFFAOYSA-N 429.516 5.163 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc(Cl)c2)c([N+](=O)[O-])c1)c1ccc2ccccc2c1 2323399896 JQMKKFDFHKPQOQ-UHFFFAOYSA-N 443.886 6.877 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)C=Cc4ccc(C(C)C)cc4)cc(C)c3C2=O)o1 2323510818 PJOASVHYZQVKJN-UHFFFAOYSA-N 428.484 6.255 30 10 IKEE CCCCCCCCCCN1C(=O)C(=Cc2ccc(Cl)c(Cl)c2)SC1=S 2323720897 RAUMACNDWWLILB-UHFFFAOYSA-N 430.466 7.335 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1OC 2323800847 XBCXKMGGGDTDMS-UHFFFAOYSA-N 429.944 5.272 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(CC)cc3)cc2)cc1 2323829127 YQOBMJSURIGPIV-UHFFFAOYSA-N 429.516 5.561 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OCC(=O)Nc1ccccc1F 2323870730 RVDRKNFRCQBVGJ-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE Cc1cc(O)c(CN2CCC[C@@H](C)C2)c2c1C(=O)C(=Cc1ccc(-c3ccccc3)cc1)O2 2324067870 OFUGIYINUPMJQB-LJQANCHMSA-N 439.555 6.216 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1F 2324110852 FXUGJYOIPZHZBE-UHFFFAOYSA-N 441.842 5.871 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)c1C 2324345663 XPCGPRJKSAGGOC-UHFFFAOYSA-N 447.962 6.487 30 10 IKEE CCCOc1c(Cl)cc(C=CC(=O)c2cc(OC)c(Cl)cc2OC)cc1OCC 2324412620 BKSGYOMGKZHKRE-UHFFFAOYSA-N 439.335 6.094 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCCCCOc4ccccc4)ccc3C2=O)cc1 2324573676 HADTZQIHRUZBFO-UHFFFAOYSA-N 430.500 5.940 30 10 IKEE Cc1c(OCCOc2ccc(C(C)(C)C)cc2)ccc2c1OC(=Cc1ccc(F)cc1)C2=O 2324690349 MSRPIPTYTUNFLK-UHFFFAOYSA-N 446.518 6.506 30 10 IKEE Cc1cc(OCCOc2cccc3ccccc23)cc2c1C(=O)C(=Cc1ccccc1F)O2 2324693911 YKQQXHSQPGHAPV-UHFFFAOYSA-N 440.470 6.361 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(OCC(=O)Nc3c(C)cccc3C)c2C)C1=O 2325501045 IXYCRSYQSSQLLB-UHFFFAOYSA-N 433.529 5.615 30 10 IKEE CCCOc1ccc(C=CC(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1OC 2325649201 UHYRUHAFXQJQAS-UHFFFAOYSA-N 441.833 5.377 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1OC(=O)COc1ccccc1 2325690934 VHIVTRDGXFCEDJ-UHFFFAOYSA-N 438.479 5.729 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Br)c2)cc1OC(=O)c1cccs1 2325720140 RSIPDMTVMPOOCZ-UHFFFAOYSA-N 443.318 5.635 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1cccc(C=CC(=O)c2cc(C)ccc2C)c1 2325740432 GBIVRWVTTUCDHP-UHFFFAOYSA-N 430.500 5.583 30 10 IKEE CSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1cn(C)c2ccccc12 2325911086 BREGJXHDFZPZCA-UHFFFAOYSA-N 446.363 5.260 30 10 IKEE CCCOc1c(Cl)cc(C=Nn2cnnc2SCc2cc(C)cc(C)c2)cc1Cl 2326396497 KWCBDZOOLSAYJG-UHFFFAOYSA-N 449.407 6.165 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1N=Cc1cn(CC)c2ccccc12 2326551386 LHZPKOUNBIJOLK-UHFFFAOYSA-N 438.000 6.033 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(O)c(Cl)c1 2326638880 KPOOKQANBPPROJ-UHFFFAOYSA-N 436.968 5.917 30 10 IKEE CCCOc1cc(C=Nn2c(CCC)nnc2SCc2cccc(F)c2)ccc1OC 2326733810 OFBCRQIMMUFTQA-UHFFFAOYSA-N 442.560 5.342 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccco1 2328551037 NDRFADZNMIWJHL-UHFFFAOYSA-N 436.512 5.381 30 10 IKEE CCCSc1nnc(CCc2cccc(OC)c2)n1N=Cc1c(Cl)cccc1Cl 2328653607 DXFSZJWSAHQDRM-UHFFFAOYSA-N 449.407 5.763 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccc(C)c(C)c3)n2N=Cc2ccccn2)c1 2329427899 LYOOKUDDVWSYPC-UHFFFAOYSA-N 441.604 5.672 30 10 IKEE CCCCCOc1ccc(C=Nn2c(CCc3cccs3)nnc2SCC)cc1 2329656812 UZSIHIMZZULAFK-UHFFFAOYSA-N 428.627 5.688 30 10 IKEE Fc1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCCc2ccccc2)cc1 2329853929 GUAJAZBZUBYUPA-UHFFFAOYSA-N 434.515 5.364 30 10 IKEE C=C(C)CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1ccc(C(F)(F)F)cc1 2330101502 KAHWTVYCESPGSR-INIZCTEOSA-N 430.499 5.999 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1OCC 2330604927 SOXKULYFCSJCDI-UHFFFAOYSA-N 448.946 7.007 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)c(Cl)c2)cc1 2330747628 UFHZUPMZFJOFSA-UHFFFAOYSA-N 449.890 6.234 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(C)c3)cc2OC)c1 2330881083 NSJIMSOSFRLYKU-UHFFFAOYSA-N 446.499 5.526 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)[C@@H]1CCCO1 2330935251 NPOKGYMGJKHNAJ-IBGZPJMESA-N 435.303 5.373 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(F)(F)F)n2N=Cc2cc(Cl)ccc2O)c1 2331138276 ZCAUAXNXKIJNDI-UHFFFAOYSA-N 440.878 5.447 30 10 IKEE O=[N+]([O-])c1cccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2-c2ccco2)c1 2331224262 AROSGXOIQZBOQS-UHFFFAOYSA-N 439.884 5.274 30 10 IKEE Oc1ccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2-c2ccco2)cc1 2331225683 MTVYVBCVQZLEPB-UHFFFAOYSA-N 445.331 5.725 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)c1ccc(Cl)cc1 2331231360 LQXKIFCSHXWTHC-UHFFFAOYSA-N 434.919 6.471 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc(Cl)c1OC(=O)C1CCC1 2331237847 LFDGWNIUAXRMGB-UHFFFAOYSA-N 439.722 6.257 30 10 IKEE Cc1cccc(C=Nn2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2C2CCC2)c1 2331485752 WSUMSDJFYNPJBR-UHFFFAOYSA-N 433.581 5.084 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)c1ccccc1C 2331539665 FMZDBYLJVOXCGJ-UHFFFAOYSA-N 430.475 5.987 30 10 IKEE COc1cccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(C)c3C)cc2)c1 2331612588 SYGAXSCTCJDFOP-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2cncc(C)c2)cc1 2331635369 RZPSANYBACPHRQ-UHFFFAOYSA-N 442.298 5.821 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3ccco3)c(OC)c2)cc1Cl 2331814907 UYEIGCRIXRTTFE-UHFFFAOYSA-N 447.270 5.719 30 10 IKEE C=CCC(C)(C)[C@H](Cc1ccc(I)c(Br)c1)NCC 2349813293 PZWVQTRTJSKUNA-HNNXBMFYSA-N 436.175 5.177 30 10 IKEE CCCCCCCC[C@H](NCC)c1ccc(OCc2ccccc2)cc1Br 2361179736 XWNVBCFAICDKCV-DEOSSOPVSA-N 432.446 7.429 30 10 IKEE CC1(C)OB(c2ccc(COc3cc(Br)ccc3Cl)c(F)c2)OC1(C)C 2369095040 UQXKFNPZEIRZMP-UHFFFAOYSA-N 441.533 5.120 30 10 IKEE CO[C@@H](C#CC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Br)C1CCCC1 2369584296 BIQWHQYECITJPU-IBGZPJMESA-N 436.346 5.187 30 10 IKEE C=CCN1C(=O)[C@H](C)Oc2ccc(NC(=O)CC(c3ccccc3)c3ccccc3)cc21 12169909 PXSQFSVORSZQOJ-IBGZPJMESA-N 426.516 5.147 30 10 IKEE O=C1C[C@H](c2ccccc2Cl)CC2=C1[C@H](c1ccccc1Cl)Nc1ccccc1N2 20886175 SDPCAWNUFFQGEH-BZQUYTCOSA-N 435.354 6.973 30 10 IKEE COc1ccc(-c2cc3n(n2)[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 21658645 XNTUUJSWAIEBTQ-XMMPIXPASA-N 433.939 5.870 30 10 IKEE CC(C)(C)c1ccc(OCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)cc1 23330195 ZYWDROTZSXDWDA-UHFFFAOYSA-N 430.552 5.356 30 10 IKEE O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(-c2ccc(F)cc2)o1 35484954 NVQALJKTWBQQAS-DTQAZKPQSA-N 434.470 6.835 30 10 IKEE Cc1ccc(/N=C2/NC(=O)S/C2=C\c2ccc3noc(-c4ccccc4)c3c2)cc1C 35515850 MWKAETZQLHASSJ-HMAPJEAMSA-N 425.513 6.639 30 10 IKEE C=CCn1c(C)c(/C=C2\S/C(=N/c3ccc(C(=O)OC)cc3)N(C)C2=O)c2ccccc21 35669532 ODYJQQSVICQHOS-INCSMEFSSA-N 445.544 5.156 30 10 IKEE C/C(=C1/S/C(=N/c2nc(C)cs2)N(c2ccccc2)C1=O)c1ccc(Cl)cc1 39865546 ZIWLBCIFFNNSCT-FGJAPUQFSA-N 425.966 6.304 30 10 IKEE COc1cc(/C=C/C(=O)Nc2ccc(C)cc2OCc2ccccc2)ccc1OCC#N 59784436 RFRGRTZTGXIPCJ-JLHYYAGUSA-N 428.488 5.137 30 10 IKEE O=C(/C=C\c1ccccc1OC(=O)c1cccnc1N1CCCC1)c1cc2ccccc2o1 97997192 IMJOPYVSPNSOKG-YPKPFQOOSA-N 438.483 5.543 30 10 IKEE CC1(C)CC(O)=C/C(=N/c2ccc(C34C[C@H]5C[C@@H](CC(Br)(C5)C3)C4)cc2)C1 100328453 CVDCNTZSJSSRKK-VYTDPJKLSA-N 428.414 7.006 30 10 IKEE C=CCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1Br 100432348 COOKEHOQCKAYFL-UHFFFAOYSA-N 434.639 5.938 30 10 IKEE CC1(C)[C@@H]2CC[C@]1(C)/C(=N\NC1=NC(=O)/C(=C\c3cccc(Br)c3)S1)C2 100491740 XGBYPXJUPDRINW-IWAHJRAOSA-N 432.387 5.211 30 10 IKEE N#Cc1ccccc1COc1ccccc1/C=C1/SC(=O)N(c2ccc(Cl)cc2)C1=O 101402768 STRXTFGYIJVORX-LPYMAVHISA-N 446.915 6.032 30 10 IKEE CN1/C(=C2/S/C(=N/Cc3ccccc3)N(c3ccc(O)cc3)C2=O)Sc2ccccc21 102151290 YCTLPJOYWKAKGX-DIQLGICBSA-N 445.569 5.439 30 10 IKEE O=C(/N=C1/c2ccccc2CN1c1cccc(Cl)c1)c1ccc(Br)cc1 102947712 OZFDOSFYCINZRR-GFMRDNFCSA-N 425.713 5.710 30 10 IKEE CCCCCCCCCCCCCCCCNC(=S)NC(=O)/C=C\c1ccc(F)cc1 110458762 IWBGMJFEQDTULX-UZYVYHOESA-N 448.692 7.311 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2ccccc2C)c1 169937170 HPEIIMKKMIVULR-SANMLTNESA-N 449.506 5.940 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(Oc3ccc(C)c(C)c3)cc2)NC(=S)N1 169937864 CDOKDEBXRHQZRM-XMMPIXPASA-N 428.557 5.771 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2c[nH]c3ccccc23)cc1 170075211 VUKRWXHYAZDFLH-DEOSSOPVSA-N 440.474 5.707 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1cccc(O)c1)c1ccc(Cl)cc1 170082268 PGYVFNHUSKJSJU-FQEVSTJZSA-N 441.817 5.107 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccc(C)o2)c1 170099556 BXGZGRGCTSNUGN-NRFANRHFSA-N 437.879 5.423 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1sccc1C 170105296 DKFOFVAOEONDHP-LJQANCHMSA-N 441.455 5.126 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2c2ccccc2)c1 170118000 OFXMKRGYKRYCAJ-VWLOTQADSA-N 439.511 5.357 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccccn2)c1 170170091 SFYXUJFMAZDDLF-DEOSSOPVSA-N 442.515 5.269 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccccn2)cc1C 170170358 WNORWTURCYFMSM-DEOSSOPVSA-N 442.515 5.107 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccncc2)ccc1Cl 170202520 JHEXTOLJMKSYBO-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@H]2c2ccccc2)cc1 170224373 VIEVNWHHZYNSMZ-XMMPIXPASA-N 427.500 5.349 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccccc2)ccc1Cl 170225704 WSWGFQBUXKYPSD-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(Cl)c4)[C@@H]3c3ccccc3)ccc2O1 170226972 PKEGWHVYNNDNRN-NPMXOYFQSA-N 445.902 5.446 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(C(C)C)cc1 170245848 UKLFBPYSYKJRNJ-DEOSSOPVSA-N 431.532 6.325 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccccc1F 170252997 XANUGXORPFNGRF-QFIPXVFZSA-N 425.500 5.157 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2F)ccc1OC(C)C 170253659 CXCOASVQBXSTAE-HSZRJFAPSA-N 437.511 5.442 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@H]1c1ccc(C)o1 170302368 QNEGCDISSGMCJV-QHCPKHFHSA-N 445.515 5.613 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2c(C)[nH]c3ccccc23)cc1 170403511 LZXKQSJYDBJDEJ-QHCPKHFHSA-N 442.540 5.883 30 10 IKEE COc1ccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)cc1OC 170434096 VVAYSBOZGDNCFI-OAQYLSRUSA-N 447.890 5.012 30 10 IKEE N#Cc1c(NC(=O)CCc2ccc(Cl)cc2)oc(-c2ccccc2)c1-c1ccccc1 170494031 FBOJGPVEIOCCPP-UHFFFAOYSA-N 426.903 6.710 30 10 IKEE N#Cc1c(NC(=O)c2ccc(C(F)(F)F)cc2)oc(-c2ccccc2)c1-c1ccccc1 170494118 UYQOFYQWWXRTNO-UHFFFAOYSA-N 432.401 6.756 30 10 IKEE Cc1nc(SCC(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)c(C#N)c(C)c1C 248057788 UTRCJWOXZIOHCN-LJQANCHMSA-N 436.606 5.334 30 10 IKEE CC[C@H](C)c1ccccc1OCCCOc1ccccc1C=NNc1ccc([N+](=O)[O-])cc1 254302662 ALPLUMUZFQUUBP-FQEVSTJZSA-N 447.535 6.402 30 10 IKEE CCCCN1C(=O)/C(=C2\Sc3ccccc3N2C)SC1=Nc1ccc(O)cc1C 254347795 KMESQZRQUHUZEG-CUCKYGFWSA-N 425.579 5.475 30 10 IKEE COc1ccc(-c2nc3cc(N=C/C=C/c4ccccc4)ccc3o2)cc1Br 254404495 CAUNZQPNEDHVSW-JNIFDLBHSA-N 433.305 6.682 30 10 IKEE C=CCc1cccc(C=NNc2nnc(SCc3ccc(Cl)c(Cl)c3)[nH]2)c1O 254595281 XYWCRYDODDMEHW-UHFFFAOYSA-N 434.352 5.284 30 10 IKEE CCCCCCCCCOc1ccc(C=Nc2ccc(O[C@@H]3COCC=C3C)cc2)cc1 254631987 SDTKHWMFHXSCKR-MUUNZHRXSA-N 435.608 7.291 30 10 IKEE CCOc1cc([N+](=O)[O-])cc(C=Nc2ccc(O)c(-c3nc4ccc(C)cc4o3)c2)c1O 254738967 PVTYCQAWDJVJCO-UHFFFAOYSA-N 433.420 5.272 30 10 IKEE CCCCCCCCC[C@@H](NC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 406481871 JABJEIRBQFMVNB-LJQANCHMSA-N 441.454 7.197 30 10 IKEE CCOc1cc([C@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)ccc1OC 526489599 AFZILHPAHSPENL-VWLOTQADSA-N 440.499 5.331 30 10 IKEE CN(C)c1ccc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526518142 WXAVWCLTSCNCJP-HSZRJFAPSA-N 429.907 5.335 30 10 IKEE CCCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1cccc(C)c1 526814989 NJLKXMKWADXJNR-CFRMEGHHSA-N 433.408 6.410 30 10 IKEE C[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)CN1Cc1ccccc1 698889557 DUCJLEIATQHMDG-KOSHJBKYSA-N 425.960 5.638 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1ccccc1C1CC1 710709231 RHRMVXNHPWUNFE-HXUWFJFHSA-N 427.342 6.333 30 10 IKEE COc1cccc(/C(C)=C2/SC(=Nc3cccnc3Cl)N(C3CCCCC3)C2=O)c1 1772732443 FAEBGUVFHLFZEA-SUYASHRRSA-N 441.984 6.070 30 10 IKEE CC(C)c1ccc(-c2cc(C(=O)Nc3ccccc3C#N)nn2-c2ccc(Cl)cc2)cc1 1859397010 HBIPRRLZUGBVTQ-UHFFFAOYSA-N 440.934 6.440 30 10 IKEE CC(=O)c1c(C)oc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)c1C#N 1859759450 GXEIQHYEJWPKAJ-UHFFFAOYSA-N 428.275 5.592 30 10 IKEE CCOc1cc(Nc2nccc(C(C)C)c2C#N)c(OCC)cc1NC(=O)c1ccccc1 1859831717 INRUMJJEEVEXLL-UHFFFAOYSA-N 444.535 5.870 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CC)cc1OCC 1862440971 WMVMOQKEOIZNBI-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccccc1Cl)c1c(F)cc(F)cc1F 1862463373 GPUKPDKNVHNDMW-FQEVSTJZSA-N 449.856 5.668 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862476776 DZRPENKXBSFWPC-AREMUKBSSA-N 445.603 6.810 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1cccc(F)c1)c1ccc2c(c1)CCCC2 1862544995 QFHVEJDJZQBLOP-VWLOTQADSA-N 447.550 6.006 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1ccccc1Cl 1862569964 ZDYUQXNMMHXAQF-NRFANRHFSA-N 443.927 5.126 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1C 1862580721 QJXUYESRJKFVFK-HXUWFJFHSA-N 448.346 5.307 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)cc1 1862580933 VNRDBYJPLDACPW-HXUWFJFHSA-N 448.346 5.858 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2ccccc2)cc1F 1862637196 VINBBNDBTRSFAU-DEOSSOPVSA-N 445.490 5.230 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862678743 VOUINXGXQDRWBT-QHCPKHFHSA-N 437.555 6.282 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2ccc(Cl)cc2)cc1 1862689265 MBYBPUXABFHTRG-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862695277 CRHVBJRJLYIRDS-HXOBKFHXSA-N 437.536 5.251 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2ccc(C)cc2)c1 1862698454 HVWHHYZKSZDHSW-XMMPIXPASA-N 427.500 5.091 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2ccc(F)cc2F)c1 1862700140 BSOMWOBATGOUKK-HSZRJFAPSA-N 449.453 5.060 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(Cl)cc1 1862726152 ZSYOBRFICBEGKB-BXKMTCNYSA-N 445.946 6.384 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccccc3C(C)(C)C)C2=O)c1 1863035175 ABVXHHHXEGULNI-UHFFFAOYSA-N 449.554 5.869 30 10 IKEE Cc1cc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1F 1863085142 YJJOFUXCHCNXGQ-UHFFFAOYSA-N 445.881 5.364 30 10 IKEE C=CCN1C(=O)C(Nc2cccc(N(CCC)CCC)c2)=C(c2ccc(Cl)cc2)C1=O 1863177620 BEHIHJNHEYETSK-UHFFFAOYSA-N 437.971 5.344 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(C)cc2)C(=O)N(CCCOCC)C1=O 1863623604 GPZMKSIJJQFUGH-UHFFFAOYSA-N 428.617 5.232 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 1866030047 VWOPAXLKYAKIPY-UHFFFAOYSA-N 439.040 8.448 30 10 IKEE C/C(=C\c1ccccc1Cl)C(=O)N[C@@H](C(=O)Nc1cccc(C#N)c1)c1ccccc1 1866819724 KTCXKPRBQRLYHS-AKXFXYSNSA-N 429.907 5.111 30 10 IKEE Cc1ccccc1-c1nc(Nc2cccc(C#N)c2)cc(N2C[C@H](C)Cc3ccccc32)n1 1868292798 MDMRCTMNQUYQFZ-LJQANCHMSA-N 431.543 6.398 30 10 IKEE Cc1ccc(-c2nc(Nc3ccccc3C#N)cc(N3CCc4nc[nH]c4[C@H]3C(C)C)n2)cc1 1868327676 ZJNGRRMYVLRJNO-AREMUKBSSA-N 449.562 5.550 30 10 IKEE CCCc1nc(Nc2cccc(C#N)c2)cc(N2C[C@H](C)N(c3ccccc3)[C@@H](C)C2)n1 1868378916 WZKOSHRFDOTSAE-PMACEKPBSA-N 426.568 5.148 30 10 IKEE C=CCN(CC=C)c1cc(N2CCO[C@H](c3ccc(CC)cc3)C2)nc(-c2ccccc2)n1 1869207433 DYVHBMGCKSKZTJ-VWLOTQADSA-N 440.591 5.462 30 10 IKEE C=CCOc1cn(CCc2ccccc2)c(CNc2cc(Cl)cc(Cl)c2)cc1=O 1870810342 YGJRXVGYOVSWHC-UHFFFAOYSA-N 429.347 5.575 30 10 IKEE CCCCCCCOc1cn(CCCOC)c(CNc2cccc([N+](=O)[O-])c2C)cc1=O 1870830121 DEMFQQRZXMSFDB-UHFFFAOYSA-N 445.560 5.063 30 10 IKEE CCCCCCCOc1cn(CCCCCO)c(CNc2ccc(C)cc2C)cc1=O 1870838125 PSSLYYQISMEEQY-UHFFFAOYSA-N 428.617 5.589 30 10 IKEE CC(C)c1cc(NS(=O)(=O)c2oc(-c3ccc(Cl)cc3)nc2C#N)cc(C(C)C)c1 1871281477 MZXWJHOGJLZPRM-UHFFFAOYSA-N 443.956 5.914 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O)c1ccc(Cl)c(Cl)c1 1871372243 HHQLSFZBXJEIPP-JMIUGGIZSA-N 445.685 6.482 30 10 IKEE CCCOc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871388192 YSAGQZVEWPOBOT-IWIPYMOSSA-N 428.484 5.928 30 10 IKEE Cc1c(O[C@@H](C)C(=O)Nc2ccc(F)cc2)ccc2c1O/C(=C\c1ccc(F)cc1)C2=O 1871400809 LUYZYZHDBOQODY-PXNCGERRSA-N 435.426 5.295 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)c(C)c1 1871410171 ATCITYMUMFEWPO-GHRPQRKGSA-N 447.918 5.979 30 10 IKEE Cc1c(OCC(=O)Nc2ccc3ccccc3c2)ccc2c1O/C(=C\c1ccncc1)C2=O 1871419460 HUIABSASEKUUQH-OYKKKHCWSA-N 436.467 5.177 30 10 IKEE Cc1cc(OCC(=O)OCC(C)C)cc2c1C(=O)/C(=C/c1ccc(Cl)cc1Cl)O2 1871427503 HHFLKNLFXWXDEC-GXHLCREISA-N 435.303 5.496 30 10 IKEE CCc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1 1872761171 HUFYPQZOCRTYGC-CXAGYDPISA-N 445.371 6.323 30 10 IKEE N#C[C@H](C(=O)/C(=C\c1ccccc1)c1ccccc1)c1nc(-c2ccccc2Cl)cs1 1872764393 LUBPTFRWJNZKFG-PHCAOYFPSA-N 440.955 6.881 30 10 IKEE CC(C)c1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 1872769207 MIDJCYRQXBSEGP-YPHWWSSASA-N 441.383 7.130 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(C)cc1C)n2CC 1873629089 KIIVVBFNCCLOFI-UHFFFAOYSA-N 449.643 6.873 30 10 IKEE CCCSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1ccc(OC)cc1 1874209514 MZVJAVJMRJOCRK-HYARGMPZSA-N 445.386 5.024 30 10 IKEE CSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccc(C(C)(C)C)cc1 1874214791 GAYIMPHBVLXRID-PCLIKHOPSA-N 443.016 5.845 30 10 IKEE C=C(C)CSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(OC)c(O)c1 1874269612 FXMCJWMBOXHKQW-CVKSISIWSA-N 444.560 5.287 30 10 IKEE CCSc1nnc(COc2c(C)cccc2C)n1/N=C/c1cccc(Br)c1 1874299629 KVLNZIXSZZADIS-WSDLNYQXSA-N 445.386 5.231 30 10 IKEE Clc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2ccncc2)cc1 1874342931 QFEZESXZDDXTEY-YZSQISJMSA-N 433.968 5.134 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2ccccc2O)cc1C 1874358628 RJXNSDZCEZHAHE-OVVQPSECSA-N 442.588 5.408 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2-c2ccccc2Cl)c1 1874364516 HHSQRQPNZJDACG-VULFUBBASA-N 436.943 6.221 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SCC)nnc2-c2ccccc2Cl)cc1 1874366864 YQQFLDJILPKSKY-LFVJCYFKSA-N 428.989 6.162 30 10 IKEE COc1cccc(/C=N/n2c(COc3ccccc3)nnc2SCc2ccc(F)cc2)c1 1874383837 KNENIYUUZXZUGI-CVKSISIWSA-N 448.523 5.179 30 10 IKEE FC(F)(F)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccccn1 1874463112 TWOYKHWNZWOKER-LIMNOBDPSA-N 432.258 5.173 30 10 IKEE C=CCSc1nnc(-c2ccco2)n1/N=C/c1ccc(OCCCCC)c(OC)c1 1874467859 FWZVKOXRGZZWFG-XQNSMLJCSA-N 426.542 5.276 30 10 IKEE C=C(C)CSc1nnc(C2CC2)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874519139 DASSKUHPDDCILQ-DHRITJCHSA-N 438.984 5.938 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2c(F)cccc2Cl)nnc1C1CC1 1874522972 SOZJFKVHZVLKLD-DHRITJCHSA-N 442.947 5.687 30 10 IKEE Sc1nnc([C@@H]2CCCO2)n1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1874560316 RHFSPKRKDZRTKG-IBUSPFOHSA-N 430.533 5.033 30 10 IKEE CCCCOc1ccccc1/C=N/n1c(S)nnc1COc1cc(C)c(Cl)c(C)c1 1874568863 VBOABOSNJRFTTM-ZMOGYAJESA-N 444.988 5.477 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)NC2CCCCC2)cc1C 1874573786 FGEIUARIHXZHOS-DHZHZOJOSA-N 441.955 5.381 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1C 1874607254 ZEPBWTDCTVIJDY-JXMROGBWSA-N 427.327 6.786 30 10 IKEE C=C(C)COc1c(Br)cc(/C=C/C(=O)c2ccccc2OC)cc1OCC 1874611739 SPCVHKWNRCHCDG-ZHACJKMWSA-N 431.326 5.707 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)c1 1874619244 RCYWIBYBQQVIPN-MDWZMJQESA-N 445.515 5.234 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OCc1cccc(C)c1 1874622158 OPUWPLQFUPMWRV-NTEUORMPSA-N 448.990 7.430 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(/C=C/C(=O)c3cc(Cl)ccc3Cl)cc2)c1 1874637934 ZNJGHCVNYWSBDC-KPKJPENVSA-N 440.326 6.215 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3Cl)cc2)c(OC)c1OC 1874639756 NOXLHNBXHNVORA-GXDHUFHOSA-N 438.907 5.841 30 10 IKEE CCCCCCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N(CCC)CCC 1874648444 AFPUVHXBCUCYRL-XMMPIXPASA-N 427.633 5.594 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccccc3Cl)c2)c1 1874694488 GEWIEKBCGGTURR-ZRDIBKRKSA-N 436.891 5.401 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)c1cc(C)cc(C)c1 1874698320 QIJIWRGBXJNGTM-ONNFQVAWSA-N 431.444 5.336 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3c(F)cccc3Cl)c2)cc1F 1874707019 KUAGQYDOTRJTBK-CSKARUKUSA-N 428.818 5.742 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(CC)cc2)cc1OCC 1875103322 SZILIYAICXXSDZ-XDJHFCHBSA-N 436.592 7.200 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)Cc2ccc(F)cc2F)c(Cl)c1 1875118846 RHTXHGLDCFFHAD-UXBLZVDNSA-N 442.845 5.671 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2F)c(Br)c1)c1ccccc1 1875128316 VSPCWPABZZBTGC-ZRDIBKRKSA-N 425.253 5.704 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccs3)c(Br)c2)c(C)c1 1875134748 ISZHMJLPXNCVTI-RMKNXTFCSA-N 441.346 6.243 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)COc1cccc(C)c1C 1875140289 ZAULFKOPRGEPHI-ACCUITESSA-N 444.527 5.809 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(C)c3)cc2[N+](=O)[O-])cc1C 1875141557 JNKUKORNIHOCGS-UXBLZVDNSA-N 447.462 5.703 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OC(=O)CC(C)C 1875160598 UIFTYRXDGCVTRI-FMIVXFBMSA-N 438.564 6.239 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)c(C)c1C 1875168208 XCWGNHCYIJYSAA-RQZCQDPDSA-N 442.555 6.725 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)CC(C)(C)C)c(Cl)c1 1875183995 CPADEVJCEXNWHL-FMIVXFBMSA-N 426.984 7.184 30 10 IKEE CSCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1Cl 1875189483 SIMPUBNOFBIZID-XBXARRHUSA-N 443.779 6.592 30 10 IKEE C=CCC[C@H](NCCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875664058 ZZUIYOPGSXNDHT-LITSAYRRSA-N 445.603 6.212 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)[C@@H]1C1CC1 1880354593 VNBGSGBHOIQDIT-NBGIEHNGSA-N 441.572 5.105 30 10 IKEE CSc1cc(NCCNC(=O)OCC2c3ccccc3-c3ccccc32)ccc1C#N 1893840231 WEHMGPSCUHSQJX-UHFFFAOYSA-N 429.545 5.231 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 1944586998 AIZLODUYVQGFOG-QMHKHESXSA-N 433.524 5.154 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C 1949112056 PWIMRFQOTAVEKK-PDOGEWKWSA-N 427.545 5.028 30 10 IKEE C#CCN(C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC)C(C)(C)C 1984778221 DAUHQRLJDYDRCV-UQBPGWFLSA-N 446.591 5.200 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@@H](C#N)[C@@]1(C)CCCN1C(=O)OC(C)(C)C 2020799037 QTLNEMKXDCGWGY-FDDCHVKYSA-N 433.524 5.249 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@]12CCC[C@@H](CN(C(=O)OC(C)(C)C)C1)C2 2022199122 AFAKRTJRZXRUNM-JQYIIUTOSA-N 428.617 5.165 30 10 IKEE C=CCN(CC[C@@H](NC)c1ccc(Br)c(Cl)c1F)C(=O)OC(C)(C)C 2037960326 LILGNZDAGPYPIP-CQSZACIVSA-N 435.765 5.315 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@]2(C)CCN2C(=O)OC(C)(C)C)cc1 2045192623 QSDIVFXGKUXMHQ-BJKOFHAPSA-N 445.560 5.118 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1C[C@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2048078513 SHNVRWFDRFLSFR-NBGIEHNGSA-N 449.636 6.018 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C(C)(C)C1 2065982020 NNXIKSVQTGZBBE-XMMPIXPASA-N 447.551 5.497 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(C(=O)OC(C)(C)C)[C@@H]2C(C)(C)C)cc1 2076161496 PWFQVUYVNRAMHI-KBMIEXCESA-N 443.588 5.664 30 10 IKEE CC[C@H](c1c(C)cc(C)cc1C)n1nc(C(F)F)c(C=NO)c1I 2079880521 PENAUTIKXKCCTG-CYBMUJFWSA-N 447.267 5.158 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(Br)ccc(Cl)c1F 2098957527 YRPMFTFQSNRZFH-PBHICJAKSA-N 449.792 5.752 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](Nc2cc(Br)cc(F)c2C#N)CC1(C)C 2107449346 GZQVAIXJCMYOMX-ZDUSSCGKSA-N 426.330 5.050 30 10 IKEE CC1(C)OB(c2cnc(SCc3ccccc3Cl)c(Br)c2)OC1(C)C 2116127979 SIENIHZTPJYTFR-UHFFFAOYSA-N 440.599 5.089 30 10 IKEE CCC1(CNc2cc(Br)c(C#N)cc2F)CCN(C(=O)OC(C)(C)C)CC1 2162411579 XOQDUXYLDRFQRT-UHFFFAOYSA-N 440.357 5.299 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)cc(C)cc1Br 2173461463 MPYXUXKNXCYOIZ-PKOBYXMFSA-N 441.385 5.244 30 10 IKEE CO[C@@]1(C)C[C@H]2C[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2185281781 GMXXBEKTNRBMBK-XSRQCEPYSA-N 435.362 5.288 30 10 IKEE C=CCC1([C@@H](NCCC)c2cc(C)cc(Br)c2)CN(C(=O)OC(C)(C)C)C1 2190670871 OAWGWIAXAMBPHN-IBGZPJMESA-N 437.422 5.611 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(C)c(Br)c(C)c1 2227359907 NCXLMDYHVZOLGH-MJGOQNOKSA-N 425.411 5.576 30 10 IKEE C=CCCCCCC[C@@H](N)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237422560 XMRQZJRHNKCRED-UXHICEINSA-N 439.438 5.739 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)C(=O)C1=CCCCCCC1 2237429251 ZTPPXILWFRNHRT-IBGZPJMESA-N 436.390 5.735 30 10 IKEE CCOC(=O)C1=C(Nc2ccc(F)cc2)SC(=Cc2ccc(Cl)cc2Cl)C1=O 2293131220 IUKZGBAPYWOIJS-UHFFFAOYSA-N 438.307 5.676 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@H](CCC)N(C)C(=O)OC(C)(C)C 2296220100 VBNMBBVUVSZCTN-PMACEKPBSA-N 437.422 5.204 30 10 IKEE CC(C)[C@H](CCNC(=O)OC(C)(C)C)CC[C@@H](O)C#Cc1cccc(Br)c1 2296226548 GPKSRSQZNNCTFO-ICSRJNTNSA-N 438.406 5.129 30 10 IKEE Cc1cccc(N=C2SC(=C3C(=O)Nc4ccc(C)cc43)C(=O)N2c2cccc(C)c2)c1 2296977141 PGTGMJXKKDIUMY-UHFFFAOYSA-N 439.540 5.743 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 2314429740 NRTXQOJRVFDXIG-UHFFFAOYSA-N 444.527 6.117 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1Cl)C2=O)c1ccc(F)cc1 2314437998 DFHFINZEIUICKT-UHFFFAOYSA-N 443.257 6.010 30 10 IKEE O=C1C(=Cc2ccc(Br)cc2)SC(=Nc2ccccn2)N1C1CCCCC1 2314542184 STOHCLFTUZVWCH-UHFFFAOYSA-N 442.382 5.781 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C(C)(C)[C@@H]1CCCCN1C(=O)OC(C)(C)C 2316231652 PZJNLTHKEPKFCZ-ZEQRLZLVSA-N 444.660 5.943 30 10 IKEE Cc1ccc(CN2COc3cc(C)c4c(c3C2)OC(=Cc2cccc(Cl)c2)C4=O)cc1 2321958687 HBALEAOGWQBQBT-UHFFFAOYSA-N 431.919 5.925 30 10 IKEE CCCCC1CCC(c2nnc(S)n2N=Cc2cc(Cl)c(OC)c(OC)c2)CC1 2322106736 GBAPXLFKZAVTCA-UHFFFAOYSA-N 437.009 5.584 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)O3)CN([C@H]1CCCC[C@@H]1C)CO2 2322153240 PJLDUADOUXZVQW-YWZLYKJASA-N 434.492 5.250 30 10 IKEE COc1cc(C=CC(=O)Nc2oc(C)c(C)c2C#N)ccc1OCc1ccc(Cl)cc1 2322328414 DXZHSHXAVBUTEF-UHFFFAOYSA-N 436.895 5.661 30 10 IKEE CCc1ccccc1NC(=O)COc1c(C=CC(=O)c2cccc(OC)c2)cccc1OC 2322378784 FGTKSYVWLYBCFC-UHFFFAOYSA-N 445.515 5.180 30 10 IKEE CCOCCCN1COc2c(cc3c(c2C)OC(=Cc2cn(CC)c4ccccc24)C3=O)C1 2322391464 IGLMSCFZRGXDGO-UHFFFAOYSA-N 446.547 5.164 30 10 IKEE CCOC(=O)c1ccc(COc2c(C=CC(=O)c3ccc(F)cc3F)cccc2OC)o1 2322502568 IFWCWWYNBSGXNB-UHFFFAOYSA-N 442.414 5.218 30 10 IKEE COc1cccc(C=CC(=O)c2cccc(Cl)c2)c1OCc1cccc2ccccc12 2322528005 QMNQNQUPERGRFZ-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE COc1cc(Br)cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)c1OC 2322807736 JBRWFZBCOPKVGO-UHFFFAOYSA-N 439.305 6.155 30 10 IKEE Cc1c(OC(=O)COc2ccccc2)ccc2c1OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2322948919 SVQZCVGSTQDZBD-UHFFFAOYSA-N 442.511 5.893 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCc3cccc(F)c3)ccc3ccccc23)cc1Cl 2322975053 FOWNHMMDQFWIGV-UHFFFAOYSA-N 446.905 7.116 30 10 IKEE CCOC(=O)c1ccc(COc2cccc(C=CC(=O)c3ccc4ccccc4c3)c2)o1 2323047526 NEHWSKUJEQZICN-UHFFFAOYSA-N 426.468 6.085 30 10 IKEE CCc1ccc(NC(=O)COc2cc(C=CC(=O)c3ccc(F)c(C)c3)ccc2OC)cc1 2323168856 ISZJXFGJNCXGJQ-UHFFFAOYSA-N 447.506 5.619 30 10 IKEE O=C(COc1cccc(C=CC(=O)c2cc(Cl)ccc2Cl)c1)NC1CCCCC1 2323327849 ZTNJWBXFBPWXAU-UHFFFAOYSA-N 432.347 5.717 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccc2ccccc2c1 2323399951 NDMNWWZISCHNAX-UHFFFAOYSA-N 443.886 6.877 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4cccc(Oc5ccccc5)c4)ccc3C2=O)cc1 2323559763 PMOOLPHBWZJMGM-UHFFFAOYSA-N 448.474 6.623 30 10 IKEE CCOc1c(Cl)cc(C=Nn2c(COc3ccccc3)nnc2SC)cc1Cl 2323589673 PNEOXPVIQZUORU-UHFFFAOYSA-N 437.352 5.167 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)OC(C)C)cc2c1C(=O)C(=Cc1ccc(Br)cc1)O2 2324305270 SPSBOJNEXVBFET-AWEZNQCLSA-N 445.309 5.093 30 10 IKEE Cc1cc(O[C@H](C)C(=O)OC(C)C)cc2c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O2 2324305552 FTCOAXOMOOJGMK-CYBMUJFWSA-N 435.303 5.637 30 10 IKEE Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2cccs2)C3=O)c(C)c1 2324331623 VIVBWKAMJGGJTF-KRWDZBQOSA-N 433.529 5.696 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2cc(Br)c(OC)c(OC)c2)c1 2324398558 HOLUZECENDYOMZ-UHFFFAOYSA-N 435.314 5.160 30 10 IKEE COc1ccccc1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccc(C)cc1)C2=O 2324473659 KJWMKMVVLHKASB-SFHVURJKSA-N 443.499 5.334 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc([N+](=O)[O-])c1OCC 2324598922 GNGMPLCZJWMENM-UHFFFAOYSA-N 440.279 5.604 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1Cl)C2=O)Nc1nccs1 2325584765 TZBWMCNHSYMWCA-UHFFFAOYSA-N 447.299 5.084 30 10 IKEE Cc1cc(OCC(=O)Nc2ccccc2Cl)cc2c1C(=O)C(=Cc1ccc(F)cc1)O2 2325718088 YZWOSJPCUIPPJZ-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE C[C@@H](Oc1ccc(Cl)cc1)C(=O)Oc1cccc(C=CC(=O)c2ccc(Cl)cc2)c1 2325730361 OMOGOJLTYPMKOH-MRXNPFEDSA-N 441.310 6.262 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2ccccc2)cc1OC(=O)CC(C)(C)C 2325732185 GEOUKYDVPQFNCL-UHFFFAOYSA-N 431.326 5.695 30 10 IKEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1c(C)n(C)c2ccccc12 2326514691 VXGFWKQRJRAAAJ-UHFFFAOYSA-N 444.391 5.868 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2ccccc2)n1N=Cc1cccc(O)c1 2328558360 UOJDMNDOXHVAQW-UHFFFAOYSA-N 444.560 5.354 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccc(C)cc3C)n2N=Cc2ccc[nH]2)c1 2328885990 OSNSBXBBVHRNHX-UHFFFAOYSA-N 431.565 5.285 30 10 IKEE CCc1ccc(C=Nn2c(SCc3ccccc3)nnc2[C@@H](C)c2ccccc2)cc1 2330103888 PWKVNOPMXHGTHQ-FQEVSTJZSA-N 426.589 6.167 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC3CCCCC3)n2N=Cc2ccc(O)cc2)c1 2330275590 XAAZWTDIMXVEGV-UHFFFAOYSA-N 434.609 5.898 30 10 IKEE CCCSc1nnc(CC2CCCCC2)n1N=Cc1ccc(OC(C)C)c(OC)c1 2330281837 FZSXLUSORDRTIO-UHFFFAOYSA-N 430.618 5.581 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3cccs3)n2N=Cc2c[nH]c3ccccc23)c1 2330583523 DYCBZGCVEXECSD-UHFFFAOYSA-N 443.601 6.279 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)ccc1OC(=O)CCOc1ccccc1 2330795056 VUNYLUAUWWWHNU-UHFFFAOYSA-N 446.499 5.365 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3cccc(Cl)c3)cc2)c1 2331117876 WDPCGXXHHJNLCH-UHFFFAOYSA-N 434.919 6.309 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2-c2ccco2)cc1O 2331211394 WYZIXULHIDFGCR-UHFFFAOYSA-N 440.912 5.080 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3c(C)cccc3C)cc2)c(C)c1 2331216038 TXUNYOIQFNTCLZ-UHFFFAOYSA-N 442.555 6.581 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)C3CCCC3)c(Br)c2)ccc1F 2331339293 VNWLTVKVDNIHDG-UHFFFAOYSA-N 431.301 5.888 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)c1ccco1 2331340374 XRCAQZCOHCJUSS-UHFFFAOYSA-N 428.843 5.895 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(CC(C)C)nnc2SCc2cccc(F)c2)cc1 2331443780 UWSKZZLYNKZTDS-UHFFFAOYSA-N 439.604 5.636 30 10 IKEE COCCC(=O)Oc1ccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1[N+](=O)[O-] 2331595519 AIVJAVHCJOOAME-UHFFFAOYSA-N 447.443 5.225 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccco3)c(Cl)c2)c2ccccc12 2331866658 KKMVPJLKWMNWPZ-UHFFFAOYSA-N 432.859 6.210 30 10 IKEE C=C(C)Cc1c(C)c(C#N)c2nc3ccccc3n2c1NCCc1ccc(OC)c(OC)c1 1467962 YARRDWXKQNEBAR-UHFFFAOYSA-N 440.547 5.458 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(Cl)cc2)cc1 5922290 AYMBOIMDNQPBQC-HSZRJFAPSA-N 447.918 5.830 30 10 IKEE CCOc1cccc(/C=C2\Oc3cc(OC)ccc3C2=O)c1OC(=O)c1ccccc1C 8823759 CMQZIEIQQYFWKV-UCQKPKSFSA-N 430.456 5.238 30 10 IKEE C=C(C)COc1ccc(NC(=S)NC(=O)c2ccccc2OCCCCCC)cc1 9696928 JKKMIRDQOYFBGO-UHFFFAOYSA-N 426.582 5.727 30 10 IKEE COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1Cl 20883922 DWHJWXAZRDALGG-QYBDOPJKSA-N 430.935 6.328 30 10 IKEE CCOc1cccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OCC(C)C)cc2)C3)c1 21230711 HFZWKGZTOXOBCE-NZQKXSOJSA-N 433.548 5.124 30 10 IKEE COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2O)c1 21236821 XGWGRLFHAAIHJE-RKOGDMNLSA-N 442.515 5.389 30 10 IKEE O=C1/C(=C/c2c[nH]nc2-c2ccc(F)cc2)CS/C1=C/c1c[nH]nc1-c1ccc(F)cc1 34145412 JTEOEBVHCGDKMH-HTOFGVQNSA-N 446.482 5.485 30 10 IKEE CCOc1ccc2oc(C)c(C(=O)Oc3cccc(/C=C\C(=O)c4ccc(C)cc4)c3)c2c1 34954964 JPBLHVPJDQPDPR-UVTDQMKNSA-N 440.495 6.564 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2Cl)C3=O)cc1 35550228 IHLBENMHIAJTRP-JAIQZWGSSA-N 441.266 5.837 30 10 IKEE COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@]2(C)C(=O)/C(=C\c3ccc(OC(F)F)cc3)C[C@@H]12 35718227 SDYMIDMUFXWPCF-ZPLBQDHGSA-N 438.514 6.415 30 10 IKEE C=CCOc1cccc([C@H]2c3c(-c4cc(Cl)c(C)cc4O)n[nH]c3C(=O)N2CC=C)c1 39914546 XMXIAWNYDBXNMK-QHCPKHFHSA-N 435.911 5.040 30 10 IKEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1OC 41289631 FIXVUGMXFFHQFO-FMCGGJTJSA-N 430.456 5.156 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN(Cc2ccc(F)cc2)C3)C1=O 41587400 WZWZXCRYQRSEMB-CFRMEGHHSA-N 445.490 5.501 30 10 IKEE COC(=O)c1c(/N=C/c2cc(Br)ccc2O)sc(Cc2ccccc2)c1C 59460314 DPDJQKGJIOLHRY-FSJBWODESA-N 444.350 5.653 30 10 IKEE COc1ccc(/N=C2/S/C(=C/c3sccc3C)C(=O)N2c2ccc(OC)cc2)cc1 59597040 AOBPSYVXASFTRA-IZSQXYTLSA-N 436.558 5.882 30 10 IKEE O=S(=O)(c1ccc(/N=C/c2cccc(OCc3ccccc3)c2)cc1)N1CCCCC1 100038008 RVWBLCUHWXTFSN-LGUFXXKBSA-N 434.561 5.191 30 10 IKEE C=C(C)COc1cccc(NC(=O)CNCCCCCCCCCCCCCCCC)c1 100055763 ZTBXBYIXCOUVDI-UHFFFAOYSA-N 444.704 7.651 30 10 IKEE CCCCCCCCCCCCCCCCNCc1c(OC(C)C)ccc2ccccc12 100125502 GQHKRVRHMCDJCL-UHFFFAOYSA-N 439.728 9.198 30 10 IKEE C=CCN1C(=O)c2ccccc2N[C@@H]1c1c(OCCCCCCC)ccc2ccccc12 100140752 QJVAWHLQMXXDEH-MHZLTWQESA-N 428.576 6.942 30 10 IKEE CCCCCCCOc1cccc(NC(=S)NC(=O)c2cccc(OCCC)c2)c1 100246776 QPSKXLQEBIKMFQ-UHFFFAOYSA-N 428.598 5.951 30 10 IKEE CCCCCCCC[C@@H](NCCC)c1cc(Br)c(Br)s1 128263208 HHNMFOIWDYMRTG-CQSZACIVSA-N 425.274 7.064 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2cccnc2)c1 170005432 FJCCMBBIUNHBDV-QFIPXVFZSA-N 432.907 5.443 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2cccnc2)ccc1F 170005538 JIWBAFGWAZUYRO-OAQYLSRUSA-N 436.870 5.274 30 10 IKEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 170065731 PEEFCWQFSNVUKR-FQEVSTJZSA-N 447.853 5.138 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccccc2F)cc1C 170070054 UEOXVNIJNLIGME-HSZRJFAPSA-N 433.454 5.673 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccccc1F)c1c[nH]c2ccccc12 170070282 YJOCMUYMZCNTJV-JOCHJYFZSA-N 446.865 5.743 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(OC(C)C)cc2)=C(N2CCC[C@@H](C)C2)C1=O 170084345 ORMJRIHJRRSDPK-OAQYLSRUSA-N 440.628 5.646 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(C)c(C)c2)[C@@H]1c1ccccc1C 170087583 FLJVJINEAUVUEQ-VWLOTQADSA-N 441.527 5.399 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(C)c2)cc1Cl 170148528 GZVYLNMLJUJJLW-OAQYLSRUSA-N 425.912 5.178 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2ccc(F)cc2)c1 170239019 MYCQWUDGKWHBQF-DEOSSOPVSA-N 443.474 5.242 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(F)cc1)c1cc2cc(Cl)ccc2o1 170244278 ILZAOGCUUBLODA-OAQYLSRUSA-N 439.870 5.746 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccccc1F)c1ccc2ccccc2c1 170251423 JJSHEVNOCLLHJG-XMMPIXPASA-N 438.458 5.152 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccc(O)c2)cc1Cl 170259837 UHJKLGQELBUGHW-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCO3)=C(O)C(=O)N1c1cccc(F)c1 170270954 YPNRHVQBLXDFOO-XMMPIXPASA-N 443.474 5.242 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccco1 170281833 SXISKJXBXUAVJU-IBGZPJMESA-N 441.842 5.172 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2ccc(C)o2)cc1C 170304319 VSYQHMTXZWTFPV-HSZRJFAPSA-N 447.487 5.005 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@@H]1c1ccc(C)o1 170304920 QULQEWNRCZGKKL-HSZRJFAPSA-N 447.487 5.005 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2sccc2C)cc1 170315316 ASFVVFOKWYKPCC-AOMKIAJQSA-N 445.540 5.471 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1cccc(Oc2ccccc2)c1 170457147 YJTLNKQGUXFRQZ-VWLOTQADSA-N 442.515 5.385 30 10 IKEE CCCCCCCCCCNC(=O)c1cccc(Nc2cc(-c3ccccc3)nc(C)n2)c1 170570223 KLIUONKVYRLVFD-UHFFFAOYSA-N 444.623 7.066 30 10 IKEE CCCCCCCC1=C(F)[C@@](F)(c2cc(CCCCC)ccc2-c2ccccc2)CC=C1 198866519 RZTSCMBXCPGSJP-PMERELPUSA-N 436.630 9.795 30 10 IKEE CCCCCCCSC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 226828785 QDGCMVISBQLQKD-HSZRJFAPSA-N 441.593 5.682 30 10 IKEE N#Cc1ccccc1-c1ccccc1C(=O)ON=C1C(=O)c2ccccc2C2=C1CCC=C2 254793345 PGPXJVICXZIRTF-UHFFFAOYSA-N 430.463 5.738 30 10 IKEE CCCCCCCNC(=O)c1c(N)n(N=Cc2ccccc2C)c2nc3ccccc3nc12 263629672 CCRDGGNQCAVCKV-UHFFFAOYSA-N 442.567 5.058 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)ccc1Br)NCC 407550924 AYJRIOBSNQKHGN-QZTJIDSGSA-N 445.829 5.483 30 10 IKEE COc1cc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc(Cl)c1O 526488051 CXJZJEUBBIKBNJ-LJQANCHMSA-N 438.892 5.045 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2sccc2C)cc1OC 526517816 URWAFDXDFLHPMC-QFIPXVFZSA-N 446.528 5.393 30 10 IKEE CC(C)COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccccn2)c1 526603777 CHJXPXMAVYRDST-XMMPIXPASA-N 425.488 5.045 30 10 IKEE CCOc1cc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(F)cc2)ccc1OC 526605288 VHDDTAFFRKBKMM-XMMPIXPASA-N 444.462 5.162 30 10 IKEE Fc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2cccc(F)c2)cc1 526802108 CEFRPWYQOBHBEX-YUMHPJSZSA-N 434.515 5.516 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1ccccc1OCC(C)C 526802147 DWPIXVGGUIKTCH-YSMPRRRNSA-N 440.588 5.969 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1ccccc1C(F)(F)F 526806019 WLMANOBLGPGPPL-WGARJPEWSA-N 432.515 6.122 30 10 IKEE CCOc1cc(/C=N\n2c(CC)nnc2SCc2cc(C)cc(C)c2)cc(Cl)c1O 526809960 RTJLWYUDKKDWLK-MSXFZWOLSA-N 444.988 5.390 30 10 IKEE CCc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2cc(C)cc(C)c2)cc1 526810669 GOSQBTYVSGBSLJ-VEILYXNESA-N 440.616 6.223 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1cccc(OC(C)C)c1 526814877 PVLDKLSCTUFNHI-MSXFZWOLSA-N 449.407 6.109 30 10 IKEE CCc1nnc(SCc2ccc(Br)cc2)n1/N=C\c1ccc(Cl)cc1 526820656 AXQRUWPDZOFTIC-NHDPSOOVSA-N 435.778 5.431 30 10 IKEE N#Cc1cccc(C(=O)Oc2cccc(NC(=O)NC(c3ccccc3)c3ccccc3)c2)c1 586547339 ANTKJNPFDBPBCT-UHFFFAOYSA-N 447.494 5.689 30 10 IKEE C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1CC/C2=N/N=C/C=C/c1ccc([N+](=O)[O-])cc1 606631426 PZDUXRAQOKZFJJ-PFKGCBRKSA-N 447.623 7.468 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2ccc(F)c(Br)c2)c1 698477237 OVJZOZIKYUYYOV-SFHVURJKSA-N 435.293 5.603 30 10 IKEE NC[C@@H]1CCC[C@H](C/N=C(/Nc2ccc(OCc3ccccc3)cc2)N2CCCCC2)C1 1088736252 PNCMOMMNMGHSKW-RPWUZVMVSA-N 434.628 5.285 30 10 IKEE C/C(=C1/SC(=Nc2cccc(C)n2)N(c2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1 1772735550 HWLMVDDQFSNUCF-QWKKMKHHSA-N 430.489 5.497 30 10 IKEE O=C1/C(=C\c2ccc(Cl)cc2)SC(=NN=C/C=C/c2ccccc2)N1Cc1ccco1 1772759805 ZGPZFRDXCGXEPQ-QINFVCRSSA-N 447.947 6.105 30 10 IKEE Cc1ccc(N=C2S[C@H](CC(=O)c3cc(C)ccc3C)C(=O)N2c2ccc(C)cc2)cc1 1772759895 DPELVBFEAKIRNE-RUZDIDTESA-N 442.584 6.329 30 10 IKEE N#Cc1cccc(NC(=O)Oc2cccc3c(NC(=O)c4ccc(Cl)cc4)cccc23)c1 1858771022 DNDLIXYWHJQEGM-UHFFFAOYSA-N 441.874 6.228 30 10 IKEE CCCCCCC(=O)Nc1cccc(OCC(=O)Nc2sc3c(c2C#N)CCCC3)c1 1860130037 WALJEIYZYUTWBE-UHFFFAOYSA-N 439.581 5.425 30 10 IKEE Cc1cc(I)ccc1NC(=O)C(=O)/C=C/c1ccc(C(C)(C)C)cc1 1860723092 ZOESOFZRONRZKG-KPKJPENVSA-N 447.316 5.118 30 10 IKEE COc1ccc(/C=C/C(=O)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1OC 1860723464 RHTXWLFVDHLRSF-DHZHZOJOSA-N 437.879 5.371 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCSC)NC(=O)/C=C/c1ccc(Cl)cc1 1861104295 UOJIXWVIEOMAQR-IXDOJHRFSA-N 425.038 5.068 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)CCCOc1ccc(C)cc1 1861689895 JOCCLMPOISMBQJ-SANMLTNESA-N 432.649 5.696 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(F)cc1 1862381445 ABZRBERLYDEYGG-LJQANCHMSA-N 436.310 5.901 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc(O)cc2)cc1 1862390491 FIZBECKCPSPZFK-MQVPCNEGSA-N 447.575 5.892 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCCc2ccccc2)cc1 1862428952 BMCAKTJPSAKOEO-DEOSSOPVSA-N 445.946 5.860 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(C(C)C)cc1 1862463671 JOZWTSRRLFWIMX-NRFANRHFSA-N 431.454 5.606 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(C(C)C)cc2)cc1 1862476520 BEPVHWSTOOMJBV-QHCPKHFHSA-N 431.557 5.958 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc(Br)cc2)c1 1862496360 IOIVIBCCDMEVLT-FQEVSTJZSA-N 442.353 5.300 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1Cl)c1ccc2c(c1)CCCC2 1862545630 FFCKDBSEIYUDLA-HSZRJFAPSA-N 447.918 5.590 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(Cl)cc1 1862557925 QVRRPRIKPRNTBG-NYHFZMIOSA-N 432.907 5.262 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(C(C)(C)C)cc1 1862631712 SHOLINHNKPYKNE-QHCPKHFHSA-N 449.547 5.481 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1c(Cl)cccc1Cl 1862659210 ZRRKXSXRDKQZQC-NRFANRHFSA-N 440.326 6.133 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(F)cc1F 1862726096 YRVBDFQSTTZNOB-DEOSSOPVSA-N 447.481 5.866 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(Cl)ccc2C)=C(c2cccs2)C1=O 1863470092 GTBXXTUWTWUZBR-UHFFFAOYSA-N 431.001 6.262 30 10 IKEE CC(C)[C@H]1c2ccccc2CCN1c1cc(Nc2ccc(C#N)cc2)nc(-c2cccnc2)n1 1868576610 WZZHCJCHBNCMDB-MHZLTWQESA-N 446.558 5.914 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)cc2Cl)c(=O)cc1CN1C[C@@H](C)C[C@H](C)C1 1870346279 HOXVBKZXWHFNMD-IRXDYDNUSA-N 435.395 5.398 30 10 IKEE CCCCCCCCn1cc(OCCCOc2cccc(C)c2)c(=O)cc1CN(C)C 1870780607 WICLHQDMKWKQAY-UHFFFAOYSA-N 428.617 5.427 30 10 IKEE Cc1cc(OC(=O)COc2ccccc2)cc2c1C(=O)/C(=C/c1cn(C)c3ccccc13)O2 1871364517 POEUPZNKPVAEPF-CFRMEGHHSA-N 439.467 5.087 30 10 IKEE Cc1cc(OC(=O)c2ccc(Cl)c(Cl)c2)cc2c1C(=O)/C(=C/c1cccnc1)O2 1871372438 RGLRAFQUEHLLKV-UWVJOHFNSA-N 426.255 5.532 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)ccc3C2=O)cc1 1871374828 DZGQDDSUVUXSOC-AMUWGTMJSA-N 432.859 5.584 30 10 IKEE O=C(CC(c1ccccc1)c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1cccnc1)C2=O 1871380941 LBQSBACYRPYRAD-YUMHPJSZSA-N 447.490 5.825 30 10 IKEE Cc1cc(OC(=O)CCOc2ccccc2)cc2c1C(=O)/C(=C/C=C/c1ccccc1)O2 1871384188 SAJQEMKSUZRBFC-LABNAMAPSA-N 426.468 5.542 30 10 IKEE CC(C)OC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 1871400518 DKCTXHWWGRXAPH-SDPDQUOZSA-N 428.484 5.689 30 10 IKEE Cc1cccc(OCCCOc2ccc3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)c1 1871405783 QDKYKGVREOMKMO-IWIPYMOSSA-N 431.444 5.367 30 10 IKEE CCCOC(=O)[C@H](CC)Oc1ccc2c(c1C)O/C(=C\c1ccc(Cl)cc1Cl)C2=O 1871433029 JTLOXGPVSHUHMR-ISRVBRPNSA-N 449.330 6.029 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O)Nc1ccccc1 1871459788 DEDYICRHVJQHFL-FBHDLOMBSA-N 440.282 5.627 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(F)cc2)[nH]c(N2C[C@@H](C)C[C@H](C)C2)n1 1871515921 LNLDQGVVAXJTPX-OALUTQOASA-N 428.600 5.431 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(Cl)cc2)[nH]c(N2CCC[C@H](C)C2)n1 1871523824 GLBWMGPFPZKBLC-SFHVURJKSA-N 431.028 5.699 30 10 IKEE C=CCN=c1nc(Nc2ccc(Nc3ccccc3)cc2)[nH]c(N(CCC)CCCC)n1 1871606161 OTZCXLVSQBSRNB-UHFFFAOYSA-N 431.588 5.395 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C\c3ccc4c(c3)OCCO4)n2)cc1 1872770100 JWPMSWXCGAHYAG-ALCXOSAQSA-N 446.528 5.260 30 10 IKEE CCOC(=O)Oc1ccc(C(=O)[C@@H](C#N)c2nc(-c3cccc4ccccc34)cs2)cc1 1872775688 XPCYSFUMZKPDAO-OAQYLSRUSA-N 442.496 5.989 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)Cc2ccccc2[N+](=O)[O-])n1 1872786850 ULCDVNHJGNGYCQ-INIZCTEOSA-N 441.896 5.108 30 10 IKEE COc1cccc(OC)c1C(=O)[C@@H](C#N)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872788214 XGDVNHBWKWIEEF-CYBMUJFWSA-N 433.316 5.624 30 10 IKEE CCCCN(CCC)CC(=O)[C@@H](C#N)c1nc(-c2ccc(OC)c(OC)c2)c(CC)s1 1872801197 YZLNUHLEYGNDGM-GOSISDBHSA-N 443.613 5.078 30 10 IKEE N#Cc1nc([C@H]2C[C@H]2c2ccccc2)oc1N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1873470436 IBVIJOUYVVHZSP-NQNVITGWSA-N 448.482 5.483 30 10 IKEE CCCCSc1nnc(CCC)n1/N=C/c1cccc(OCc2cccc(Cl)c2)c1 1873500927 GWDPJEVCRNGDOM-PCLIKHOPSA-N 443.016 6.237 30 10 IKEE C=CCn1c(C(=O)Nc2ccccc2C(C)C)cc2c(N3C[C@H](C)C[C@@H](C)C3)ncnc21 1873666596 QOVKOEYMXLWRNE-RTBURBONSA-N 431.584 5.475 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccc(C)cc1 1874215552 ALPQQLIYUZWXMQ-MFKUBSTISA-N 441.000 5.802 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1cccc(OC)c1 1874230971 MEIUSLUOXHYMDX-YDZHTSKRSA-N 430.961 5.212 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1ccc(C(C)C)cc1 1874254271 ZJYDMNZIUDXGDG-NLRVBDNBSA-N 434.609 5.882 30 10 IKEE CCCCOc1ccc(/C=N/n2c(Cc3cccc4ccccc34)nnc2SCC)cc1 1874270973 YAIIOTVRPANKDK-ZXVVBBHZSA-N 444.604 6.195 30 10 IKEE Cc1cccc(/C=N/n2c(CCc3ccccc3C)nnc2SCc2ccc(F)cc2)c1 1874361427 UFRBQKAWZNYKSO-OGLMXYFKSA-N 444.579 5.994 30 10 IKEE CCOc1ccc(/C=N/n2c(CCc3cccs3)nnc2SCc2ccccc2)cc1 1874371540 FAUDQSCDLIDHLP-KOEQRZSOSA-N 448.617 5.698 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2[C@H](C)c2ccccc2)cc1 1874393480 NZJFFCNOBFWDMW-AXNZHVIBSA-N 446.551 5.752 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2ccccc2)n1/N=C/c1sccc1C 1874396786 QPDVCOAJJRRHRH-PCLIKHOPSA-N 432.618 5.916 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCCc2ccccc2)n1/N=C/c1ccc(O)c(O)c1 1874400567 TZXGYJIZWQIRPW-WYZSWBMLSA-N 444.560 5.058 30 10 IKEE Cc1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2ccc(Cl)c(Cl)c2)cc1 1874451625 IWCKHZRYFDXTNU-DHRITJCHSA-N 445.419 6.725 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(C2CCCC2)n1/N=C/c1cccc(Cl)c1 1874458113 XNTIJPJRQQLXLC-BRJLIKDPSA-N 449.382 6.556 30 10 IKEE Oc1cccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C(F)(F)F)c1 1874462088 LKDFPBLBOXYRLQ-LIMNOBDPSA-N 447.269 5.484 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3ccccc3C)nnc2-c2ccco2)c1 1874464326 CXWWJSUFHRPCHP-PCLIKHOPSA-N 432.549 5.810 30 10 IKEE CCCSc1nnc(CC(C)C)n1/N=C/c1ccc(N(CC)Cc2ccccc2)cc1 1874491064 XNFMMBVARAGARS-NLRVBDNBSA-N 435.641 5.887 30 10 IKEE Sc1nnc(-c2cccs2)n1/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 1874558950 JRUUNBBFRFMZAB-WSDLNYQXSA-N 426.954 5.410 30 10 IKEE Cc1ccc(COc2cccc(/C=N/n3c(S)nnc3COCc3ccccc3)c2)cc1 1874562829 UQXKHKARLXGLBX-CVKSISIWSA-N 444.560 5.053 30 10 IKEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1cccc(Cl)c1)NCc1ccccc1 1874577240 FAKXEXVQVTZIFH-PKNBQFBNSA-N 440.326 5.585 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1cccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1 1874592767 AQGHCXHLQWSBAQ-OUKQBFOZSA-N 430.460 5.125 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc(OC)c1OCc1ccccc1C 1874607023 RVESOFBXPWGSEC-WYMLVPIESA-N 442.555 6.524 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1Cl)NC1CCCCC1 1874612141 DWBZGJUXXBDHJE-PKNBQFBNSA-N 432.347 5.717 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OCC(=O)NC1CCCCC1 1874614347 MKLGXKLAJRYODH-OUKQBFOZSA-N 427.928 5.072 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1C 1874622201 QYSSUQAEPBZHAB-RQZCQDPDSA-N 441.571 6.515 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OCC(=O)N(CC)CC 1874625582 LSVOEVFJAFCCCH-KPKJPENVSA-N 433.907 5.021 30 10 IKEE COC(=O)COc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1Br 1874629094 LWNQHGWBIKENFB-SOFGYWHQSA-N 431.326 5.131 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)ccc1OCCc1ccccc1 1874640000 YERRNHJHQDESNY-JLHYYAGUSA-N 448.515 5.239 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cnccn3)c2)cc1 1874708444 CSFKDRCZZLIKFD-XNTDXEJSSA-N 444.531 5.941 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2cccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)c2)c1 1874711168 SCXHHHSLXXFMFV-OUKQBFOZSA-N 426.556 6.581 30 10 IKEE O=C(Oc1cccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1)c1ccc([N+](=O)[O-])cc1 1874718646 KDCQKXKTCIOFSL-NYYWCZLTSA-N 442.254 6.017 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(N(C)C)cc3)c([N+](=O)[O-])c2)cc1 1875100890 MRSGGBFXOMVENN-VIZOYTHASA-N 444.487 5.339 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(CC)cc3)cc2OCC)cc1 1875103407 XTJQYYVEXMENLW-RQZCQDPDSA-N 444.527 6.162 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)Cc1ccccc1[N+](=O)[O-] 1875128602 LJQNCWQCAQTKKW-WYMLVPIESA-N 431.444 5.038 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)Cc1ccc(C)cc1 1875136747 JJPIJHXNTWLLHX-DTQAZKPQSA-N 440.539 6.085 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2OC)cc(OC)c1OC(=O)CC(C)(C)C 1875144027 BYWLGSHMMICFBZ-VAWYXSNFSA-N 436.548 5.978 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2OC)cc(OC)c1OC(=O)C1CCCC1 1875144256 MSNBFSYNMNCCME-OUKQBFOZSA-N 434.532 5.732 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3c(C)cccc3C)cc2)cc1F 1875152008 DJHRFVWLMIVBMS-UKTHLTGXSA-N 434.463 5.332 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)c1cc(C)cc(C)c1 1875157778 OGCRHBBFODLBFB-RUDMXATFSA-N 438.882 6.220 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(Cl)cc3)cc2)cc1Cl 1875186971 IGBVZKWXLZKZOB-WUXMJOGZSA-N 441.310 6.046 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc(OC)c1OC(=O)CC(C)C 1875190734 PPAVSMIZNGSDRO-ZRDIBKRKSA-N 448.515 5.713 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1922065861 PKMJDYXVWHQVRC-UCBGAZFYSA-N 428.617 5.306 30 10 IKEE CC(C)[C@@H](C#N)COc1c(Br)cc(Br)cc1Br 1925856508 GVOYXPILLOPPPI-QMMMGPOBSA-N 425.946 5.149 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCCCC[C@@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1943924525 LQFFXEBCQNBTFK-MBSDFSHPSA-N 449.617 5.605 30 10 IKEE CC[C@H]1CC=C(C(=O)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)CC1 2010742152 GXCZTWWCZZBVHC-RXFWQSSRSA-N 427.585 5.536 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C1(C)C 2013403841 BWLPQYGHIQKUGN-SBUREZEXSA-N 449.979 5.667 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2032000896 RIUFNTHTHBZSRY-SRGWNRLKSA-N 447.551 5.495 30 10 IKEE CCC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1OC 2033623466 LFDWKWDLQZOLAK-PKOBYXMFSA-N 447.576 5.270 30 10 IKEE CCCN[C@H](CC#CC1CCCCC1)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2034434589 AXKLADLJTCAVBP-RPBOFIJWSA-N 442.644 5.439 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CN(Cc3ccccc3)C(C)(C)C2)cc1 2037384350 VEPOUGQWWNBLRX-SANMLTNESA-N 435.568 5.384 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)C2=Cc3ccccc3C2)C1 2041901501 AOWABUQEFSQEOZ-HHHXNRCGSA-N 433.548 5.039 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Cc1cc(Cl)c(C)c(Br)c1 2048650187 QNNHPIXOWGQJRR-INIZCTEOSA-N 430.770 5.382 30 10 IKEE CCN[C@]1(C#N)C[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)CC(C)(C)C1 2063662407 VDWIZPVSMDCBNX-XTEPFMGCSA-N 432.656 5.071 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@]1(C#N)C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 2070327480 LIQWKUZBJXOPJM-AOXNNKNRSA-N 436.527 5.845 30 10 IKEE Cc1ccc([C@@H](C2CCC2)n2nc(C3(C)CC3)c(/C=N/O)c2I)cc1 2079023074 MXYSLDZBBGGOCO-ORWNMUSCSA-N 449.336 5.045 30 10 IKEE CCCc1ccc([C@H](C(C)C)n2nc(C(F)(F)F)c(C=NO)c2Br)cc1 2079907435 HXGXRIXASVWOSS-HNNXBMFYSA-N 432.284 5.670 30 10 IKEE Cc1cc(O)c([C@H](n2nc(C(F)(F)F)c(C#N)c2Br)C2(C)CC2)cc1C 2080043752 ZRBXGLQDYBYLNK-HNNXBMFYSA-N 428.252 5.248 30 10 IKEE Cc1cc(Br)c(NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1Cl 2151197213 FVMXFDROSHUXNQ-UHFFFAOYSA-N 436.586 5.322 30 10 IKEE N#Cc1ccc(N[C@H]2CCN(Cc3ccccc3)C3(CCC3)C2)c(F)c1Br 2173444739 OXSXAYYXQVEEHH-SFHVURJKSA-N 428.349 5.459 30 10 IKEE Brc1cccc(Br)c1CN=C1N[C@@H](c2cccs2)CS1 2175638532 IMLRMTMSJVTWFU-GFCCVEGCSA-N 432.206 5.207 30 10 IKEE Cc1cccc(C(=O)Nc2ccc(C#N)c(Br)c2)c1NC(=O)OC(C)(C)C 2181109007 ZRCHCFYKUYJDRT-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE C[C@@H](CC1CCN(c2cc(Br)cc(C#N)c2)CC1)N(C)C(=O)OC(C)(C)C 2203597422 WRYPYVQQJKQPIQ-HNNXBMFYSA-N 436.394 5.183 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCCC)c2cc(F)c(Br)c(F)c2)C1 2207141382 FCQVOYYVBXUBQL-QGZVFWFLSA-N 445.348 5.382 30 10 IKEE CN[C@H](C#Cc1ccccc1Br)[C@H](CCC(C)(C)C)NC(=O)OC(C)(C)C 2235747344 PELLJJFFWKWQCM-MOPGFXCFSA-N 437.422 5.108 30 10 IKEE CCCN[C@H](CC#CC1CCCC1)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2251494782 FXXDFHUQPZIAAI-DNQXCXABSA-N 428.617 5.048 30 10 IKEE C=CCCC1([C@H](O)c2cc(Cl)cc(Br)c2)CN(C(=O)OC(C)(C)C)C1 2254979349 CEROMWXQYXAKKF-MRXNPFEDSA-N 430.770 5.339 30 10 IKEE CN[C@@H](C#Cc1cccc(Br)c1)c1cccc(N(C)C(=O)OC(C)(C)C)c1 2296273387 OOHJBOUNRLCAGQ-FQEVSTJZSA-N 429.358 5.133 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@](C)(NC(=O)OC(C)(C)C)C(C)(C)C 2296292070 UNJGJSWYIUNRLT-XMSQKQJNSA-N 437.422 5.108 30 10 IKEE CCCCCCCCCN=Cc1c(C(F)(F)F)[nH]n(-c2nc3ccccc3s2)c1=O 2296405712 JSAPFWVGNMTSIW-UHFFFAOYSA-N 438.519 5.964 30 10 IKEE C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CCC2=NN=Cc1ccc([N+](=O)[O-])s1 2297476612 BKFIBDWKIPCPQA-FOCUCWDZSA-N 441.597 5.755 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCc4c(F)c(F)c(F)c(F)c4F)ccc3C2=O)cc1 2314438451 SVUYTFLVEXQSMQ-UHFFFAOYSA-N 432.344 5.886 30 10 IKEE COc1cc(C=NNc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1Cl 2321718204 ZOELVMKWZBLPMV-UHFFFAOYSA-N 435.738 6.680 30 10 IKEE Cc1c(OCc2ccc(F)cc2)ccc2c1OC(=Cc1ccc(Cl)cc1Cl)C2=O 2321802117 XDNBMMJFLXAMDU-UHFFFAOYSA-N 429.274 6.636 30 10 IKEE Cc1cc(OCc2ccc(F)cc2Cl)cc2c1C(=O)C(=Cc1c(F)cccc1Cl)O2 2321862973 ZYDHQIGHOVGJDW-UHFFFAOYSA-N 447.264 6.775 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccccc1F)O3)CN(Cc1ccc(Cl)cc1)CO2 2321958255 QFSNXTRGIDHCIS-UHFFFAOYSA-N 435.882 5.756 30 10 IKEE Cc1ccc(COc2ccc(C=Nn3c(S)nnc3Cc3ccc(C)cc3)cc2)cc1 2321968367 USLONXAHWLRKJK-UHFFFAOYSA-N 428.561 5.236 30 10 IKEE Cc1ccc(C)c(CN2COc3cc(C)c4c(c3C2)OC(=Cc2sccc2C)C4=O)c1 2322171013 UWBJAYQLHQHUSV-UHFFFAOYSA-N 431.557 5.950 30 10 IKEE Cc1cc(OCc2nnc(S)n2N=Cc2ccc(Cl)c(Cl)c2)ccc1Cl 2322211032 KQUPCGDNUDQKSQ-UHFFFAOYSA-N 427.744 5.297 30 10 IKEE COc1cccc(C=CC(=O)c2ccccc2Cl)c1OCC(=O)N[C@H](C)c1ccccc1 2322437024 IXERRXKYRBNORG-GOSISDBHSA-N 449.934 5.501 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)c1OCc1ccccc1C 2322474661 CAGZTJIFJKYIML-UHFFFAOYSA-N 437.879 6.040 30 10 IKEE COc1cccc(C=CC(=O)c2cccc(Cl)c2)c1OCc1nc(O)c2ccccc2n1 2322527999 NRFDCVFJSRTFFB-UHFFFAOYSA-N 446.890 5.473 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(Cl)cc(OC)c1OCc1ccccc1F 2322643097 LUAGDKXDJJOSOL-UHFFFAOYSA-N 440.898 6.280 30 10 IKEE CC(C)c1ccc(C=C2Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc3C2=O)cc1 2322889999 GCUAODWWFHWFCG-UHFFFAOYSA-N 432.903 6.228 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cc(Cl)ccc1OCc1ccc(F)cc1 2323022857 SPCKYBDXIRAPEV-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1OCC(=O)N[C@H](C)c1ccccc1 2323126297 SNUNKCKPFJJKPI-GOSISDBHSA-N 449.934 5.501 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1OCc1ccccc1Cl 2323149314 IFVBTPKDIDIAPY-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OCC(=O)NCc1ccccc1 2323203374 ASWDFOVZUURRPD-UHFFFAOYSA-N 443.543 5.410 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OCC(=O)Nc2ccccc2F)c1 2323303544 ADFKBTOEVWVCOU-UHFFFAOYSA-N 445.534 6.345 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(=O)c4ccc(-n5cccc5)cc4)ccc3C2=O)c1 2323675531 WLPQJNISPAZWBJ-UHFFFAOYSA-N 437.451 5.321 30 10 IKEE CCCOc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1 2323827355 XZBBXJAYBMFYLA-UHFFFAOYSA-N 448.902 6.273 30 10 IKEE CCN(Cc1ccccc1)c1ccc(C=NNc2nc(-c3ccc(C)cc3)cs2)cc1 2323873190 XAOYNJAHGPOBQW-UHFFFAOYSA-N 426.589 6.591 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl 2323915054 FNWJYVUORJMDRK-UHFFFAOYSA-N 441.354 7.176 30 10 IKEE CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1ccc(C)cc1)C2=O 2324325137 RLNUZUWYQWWFMG-SFHVURJKSA-N 443.499 5.416 30 10 IKEE CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(C)o2)C3=O)cc1 2324521265 BHYNZLLIFUVYKU-MRXNPFEDSA-N 433.460 5.009 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)ccc1OCc1ccc(F)cc1 2324545223 XVMLPKFTBNHFNR-UHFFFAOYSA-N 440.898 6.280 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OCc1cccc(Cl)c1 2324561680 ORJSCBXDNOYUMC-UHFFFAOYSA-N 434.963 7.139 30 10 IKEE Cc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(Cl)c(Cl)c3)n2)cc1C 2324756632 WKDFNZRXRLCQPQ-QGZVFWFLSA-N 427.356 6.623 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2cccc(F)c2)C3=O)c(C)c1 2324890748 BJNLXCGIVYMMDG-UHFFFAOYSA-N 431.463 5.385 30 10 IKEE CCN(Cc1ccccc1)c1ccc(C=Nn2cnnc2SCc2cccc(C)c2)cc1 2325648821 GIIRZLUYTAATSQ-UHFFFAOYSA-N 441.604 5.788 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccccc3Cl)c2)c1 2325706289 GEWIEKBCGGTURR-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1ccccc1)C2=O)Nc1cc(Cl)cc(Cl)c1 2325707782 OXAKNCFSFWKQJK-UHFFFAOYSA-N 440.282 5.627 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OC(=O)c1ccc([N+](=O)[O-])cc1 2325739875 XUIOFVBLTXRTNE-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc1OC(=O)c1ccco1 2325763629 PNTPATACPSSYID-UHFFFAOYSA-N 426.852 5.374 30 10 IKEE CCSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1ccccc1F 2325883472 MQHADLCIBRKDAK-UHFFFAOYSA-N 434.540 5.576 30 10 IKEE CCOc1ccc(C=Nn2c(C)nnc2SCc2cccc3ccccc23)cc1[N+](=O)[O-] 2326635627 NMFJFNWWNJPVPC-UHFFFAOYSA-N 447.520 5.221 30 10 IKEE CCCSc1nnc(CCOc2ccccc2)n1N=Cc1ccc(Cl)cc1Cl 2329208907 IMBKJCPUZSFOMM-UHFFFAOYSA-N 435.380 5.591 30 10 IKEE COc1ccc(Cc2nnc(SCc3cc(C)ccc3C)n2N=Cc2ccccn2)cc1 2329277992 APCVGXYDBCUTEX-UHFFFAOYSA-N 443.576 5.064 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2ccccc2F)cc1C 2329423877 PNTKFJONFVOKLZ-UHFFFAOYSA-N 430.552 5.799 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccccc3Cl)n2N=Cc2cccc(O)c2)c1 2329551497 DNCTXJYJKBMOSD-UHFFFAOYSA-N 434.952 5.787 30 10 IKEE CCCCOc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCCC)cc1OC 2330281880 PYPXSZIZWLRNMX-UHFFFAOYSA-N 444.645 5.973 30 10 IKEE CCCOc1cccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccc(F)cc2)c1 2330812609 RVYIGXCHCXCUGB-UHFFFAOYSA-N 440.588 5.969 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccc(C)cc1 2330821928 DFRBFONXADCZRN-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccc(Cl)cc3)cc2)cc1C 2330855760 RVKFSIBDTKDBLL-UHFFFAOYSA-N 436.891 5.538 30 10 IKEE COc1cc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CCCC2)ccc1O 2331076181 MZLCFDCXNPDOBS-UHFFFAOYSA-N 442.972 5.478 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)c1ccccn1 2331084116 ISAGRHRISVFLKX-UHFFFAOYSA-N 429.806 5.137 30 10 IKEE Clc1ccc(CSc2nnc(C3CCCC3)n2N=Cc2cccnc2)c(Cl)c1 2331094222 ZAHKYNPYYHWTLH-UHFFFAOYSA-N 432.380 5.812 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2)cc1OC 2331138381 ZDEHKZITJOBUHJ-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)c(Cl)c1)c1ccccc1 2331167796 WRCJVNQWCUMUII-VQTJNVASSA-N 437.322 6.599 30 10 IKEE Clc1ccccc1CSc1nnc(-c2ccco2)n1N=Cc1cccc2ccccc12 2331210582 UJJMDOFLABUJNA-UHFFFAOYSA-N 444.947 6.519 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)c(Cl)c3)cc2Cl)cc1 2331241532 VAXWUTCBAQWKAE-UHFFFAOYSA-N 445.729 7.071 30 10 IKEE CCCOc1ccccc1C=Nn1c(CC(C)C)nnc1SCc1ccc(F)cc1 2331434746 VQBFKVPHBWKNRS-UHFFFAOYSA-N 426.561 5.579 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)c1cccc(Cl)c1 2331521154 GXTWNXQSLYAETN-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE COCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1c[nH]c2ccccc12 2331612090 CVTAZESTZODPGJ-UHFFFAOYSA-N 446.363 5.387 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)Cc2cccs2)c(Cl)c1 2331661736 KEQJXEZFTGHFFG-UHFFFAOYSA-N 440.948 6.071 30 10 IKEE COc1cc(C(=O)C=Cc2ccc(OC(=O)C3CCCC3)c(Cl)c2)c(OC)cc1Cl 2331689929 YTYBJDYXDFFVQS-UHFFFAOYSA-N 449.330 6.002 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2ccccc2Cl)c(C)c1 2331709877 ATELWCQFAVVPGS-UHFFFAOYSA-N 441.988 5.285 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1ccc(F)c(F)c1F 2331715520 ZVQRRDONGIVHKO-UHFFFAOYSA-N 440.417 5.845 30 10 IKEE N#Cc1cc(Br)ccc1NCc1ccc(Cl)c(I)c1 2337221186 LTIZXKYOYKOUPB-UHFFFAOYSA-N 447.501 5.191 30 10 IKEE C[C@@H](CCCN(C)C(=O)OC(C)(C)C)Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339586310 CWGPBUDHPGOPAQ-SFHVURJKSA-N 445.413 5.174 30 10 IKEE CC[C@H](N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363832938 XHDYRBQXBSARIX-NYMACZPPSA-N 448.460 5.080 30 10 IKEE CC1(C)OB(c2ccc(Oc3cc(Br)ccc3Cl)c(C#N)c2)OC1(C)C 2364703249 CNCFMAGOWWKUFH-UHFFFAOYSA-N 434.526 5.066 30 10 IKEE C[C@@H](Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)c1cc(Br)cs1 2365120592 INFIVYMJGFQMEZ-MMQHEFTJSA-N 435.196 5.723 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C/C=C/c2ccccc2)C3=O)cc1OC 2152555 IOKJFPSQDPZDEG-MIUOOWFYSA-N 428.440 5.095 30 10 IKEE C=CCc1ccccc1OCC(=O)Nc1sc(C)c(-c2ccccc2)c1C(=O)OCC 2610015 GRNVXCNINGIRQI-UHFFFAOYSA-N 435.545 5.646 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)/C=C\c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 6459938 HJWJEHRGWLNEIU-DJKHGBOQSA-N 440.455 5.086 30 10 IKEE N#Cc1ccc(C(=O)N(Cc2ccccc2)c2nc3ccc(Br)cc3s2)cc1 9525437 FNPDOPDVYXPPGL-UHFFFAOYSA-N 448.345 5.777 30 10 IKEE CCCOc1c(OC)cccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(CC)cc1)C2 20883525 PTISLLUCHYMLES-FPOVZHCZSA-N 433.548 5.051 30 10 IKEE CCc1ccc([C@H]2C3=C(C[C@H](c4ccc(O)c(OC)c4)CC3=O)Nc3onc(C)c32)cc1 33321103 WBGLFIYLTVLZBJ-MHECFPHRSA-N 430.504 5.218 30 10 IKEE CCOc1ccc(N(C)c2ccc(/C=C3\Sc4ccc5ccccc5c4C3=O)cc2)cc1 33402358 QYBVUFNRHHZGAH-ITYLOYPMSA-N 437.564 7.336 30 10 IKEE Cc1csc(/N=C2/S/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2C2CCCCC2)n1 39865632 CJYJOFGEVZIWBY-XAEZOWLJSA-N 428.539 5.296 30 10 IKEE CCOc1ccc(C(=O)Nc2cc(Cl)c([C@@H](C#N)c3ccc(Cl)cc3)cc2C)cc1 59239945 SPWIVQLKHUWXST-NRFANRHFSA-N 439.342 6.608 30 10 IKEE COC(=O)c1c(/N=C/c2c(OC)ccc3ccccc23)sc(Cc2ccccc2)c1C 59460249 DIYCDUXKHJBHAL-JVWAILMASA-N 429.541 6.346 30 10 IKEE CC(C)c1ccc(N/C(=N/C(=O)c2cccnc2)NCCc2c[nH]c3ccccc23)cc1 85581359 ROGNRCNRUMQMKR-UHFFFAOYSA-N 425.536 5.127 30 10 IKEE CCc1sc2nc(CC)n(Cc3cccc(C#N)c3)c(=O)c2c1-c1cccc(OC)c1 96529416 NWTPLROMUGEGOS-UHFFFAOYSA-N 429.545 5.178 30 10 IKEE CCCCCCCOc1ccc(NC(=O)[C@@H](CC)Oc2ccccc2[C@H](C)CC)cc1 100260426 ZVNAEFLMSNZDDB-PXDATVDWSA-N 425.613 7.345 30 10 IKEE CCCCCCCCCCCCCCCC(=S)Nc1c(C(C)C)cccc1C(C)C 100306098 VBFPXFNZWSRGTJ-UHFFFAOYSA-N 431.774 10.154 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)N(CCC(N)=O)Cc1ccccc1 100444359 BLGOQJDQACDFDM-UHFFFAOYSA-N 447.689 5.466 30 10 IKEE Cc1c(C(=O)Sc2nc3ccccc3o2)oc2c1/C(=N\Nc1ccccc1)CC(C)(C)C2 101109135 PDOSVGLRABOLCW-VEILYXNESA-N 445.544 6.450 30 10 IKEE CCCCCCCn1c(CCNC(=O)c2cccc(Br)c2)nc2ccccc21 102140988 VVHRIAUHHAERFP-UHFFFAOYSA-N 442.401 5.742 30 10 IKEE CCCCCCCC(=O)N(Cc1ccc(F)cc1)Cc1ccc(OS(=O)(=O)CC)cc1 102991553 UMCXXWZUXHLONC-UHFFFAOYSA-N 449.588 5.444 30 10 IKEE Cc1cccc(N/C=C2\C(=O)c3ccccc3N(Cc3ccc(Cl)cc3)S2(=O)=O)c1 105286167 YKQGSHWYOZVUKB-HYARGMPZSA-N 438.936 5.135 30 10 IKEE CCCCCCCc1ccc(/C=C\c2nc(C3CCC(CCCCCC)CC3)no2)cc1 106515247 UWIOXUNFJMZIPB-ATJXCDBQSA-N 436.684 8.997 30 10 IKEE CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)Cc1ccccc1 114209867 RXGGBFMKDBEMJH-UHFFFAOYSA-N 444.812 10.085 30 10 IKEE Fc1ccc(N/N=C/c2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1 169879141 QKOGCFMHSUDHMC-TWKHWXDSSA-N 432.502 6.791 30 10 IKEE CCCOc1c(Cl)cc(/C=N/NS(=O)(=O)c2c(C)cc(C)cc2C)cc1Cl 169904523 VJFMVIHWUAOAMC-SSDVNMTOSA-N 429.369 5.020 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccc(F)cc2)cc1 169922022 OSXJYJHMJVHRKA-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE CCCN1C(=S)N[C@H](c2ccccc2OCc2ccccc2Cl)C(C(C)=O)=C1C 169930200 VONKAELFEVBODE-JOCHJYFZSA-N 428.985 5.423 30 10 IKEE CCOc1cc([C@H]2NC(=S)N(C)C(C)=C2C(=O)c2ccccc2)cc(Cl)c1OCC 169935350 JSKDCPSLAKFUIG-HXUWFJFHSA-N 444.984 5.155 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccc(C)cc2C)c1 169935833 RKDWEJHPIZVGND-OAQYLSRUSA-N 448.544 5.168 30 10 IKEE CCCOc1c(Cl)cc(/C=N\Nc2nc(-c3c(C)cc(C)cc3C)cs2)cc1Cl 169940105 VGCNKKIUEWVXOY-GATIEOLUSA-N 448.419 7.277 30 10 IKEE CCOc1cc(OCC)c([N+](=O)[O-])cc1/C=N\Nc1nc(-c2ccc(C)cc2C)cs1 169941302 DPYZIDOSHBAAIP-FMCGGJTJSA-N 440.525 5.579 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2cc(C)ccc2C)=C(O)C(=O)N1c1cccc(C)c1C 169944135 JSGMZENFLYNFAM-VWLOTQADSA-N 441.527 5.712 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)c(C)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 169975237 RUHUVKYPBNJMPB-QHCPKHFHSA-N 435.564 5.216 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2cccs2)c1 169982941 XHFYUUKVISGUDY-QHCPKHFHSA-N 431.557 6.271 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccccc2)cc1 170032580 OAMIVVRPHNFCQE-QHCPKHFHSA-N 447.918 5.912 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccccc2C)c1 170037367 YKSQEEJZLICKOG-HSZRJFAPSA-N 447.918 5.830 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2c[nH]c3ccccc23)cc1 170073685 IMGRMEQXMVFVCN-HSZRJFAPSA-N 426.447 5.398 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2c[nH]c3ccccc23)cc1 170075204 DQPJJSVDGPIGKW-QHCPKHFHSA-N 426.447 5.398 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2cccc(O)c2)cc1 170079445 BSUBDZSBFQZOGA-HSZRJFAPSA-N 447.918 5.952 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2cccc(O)c2)cc1 170079474 AXWBWIXTDIKOTR-XMMPIXPASA-N 427.500 5.607 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)ccc4[nH]3)[C@@H]2c2ccc(C)o2)cc1 170103558 ARBUTLYHVLLMNX-JOCHJYFZSA-N 441.487 5.118 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@H]1c1ccc(O)cc1 170136681 SRZGFILPRQJVNH-HSZRJFAPSA-N 437.536 5.293 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc(OC(C)C)c1 170153623 WAEQJRPTBRBCLG-XMMPIXPASA-N 429.516 5.615 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@@H]1c1cccc(OCC)c1 170217722 UGFOFLAUYHSLDA-NRFANRHFSA-N 443.927 5.126 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccc2)cc1 170224075 PEZQTDBNNMFPBL-XMMPIXPASA-N 427.500 5.567 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1cccc(O)c1 170263557 YNQKWXDUVNBVHK-HSZRJFAPSA-N 435.564 5.767 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccc(CC)cc1 170268399 CXULVYJDOCIMOZ-MZNJEOGPSA-N 433.548 5.341 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccco2)cc1Cl 170281966 IMPKHTMOUUULTM-IBGZPJMESA-N 445.805 5.003 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccco1 170284437 XPQZPONSPVWNTM-JLCFBVMHSA-N 449.890 5.348 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccco1 170288642 KDIAJHOHVWFZOK-OAQYLSRUSA-N 433.847 5.771 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)cc1)c1cccs1 170339641 SRHXACINSIKYTQ-GOSISDBHSA-N 446.311 5.543 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(N3CCCCC3)cc2)[C@H]1c1ccccc1)c1ccco1 170371602 UWAHPERDLILMQS-QHCPKHFHSA-N 428.488 5.053 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(C(C)(C)C)cc1 170470182 IGCXSDHOQQFAEC-QFIPXVFZSA-N 449.934 6.322 30 10 IKEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(Cl)c(Cl)c(Cl)c2O)cc1 206366045 JYCVUIYUWOPBIN-INIZCTEOSA-N 431.706 6.260 30 10 IKEE C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1C/C(=C/c1ccc(Br)cc1)C2=O 253562014 CTGFFXZZHKKDLF-UJQQMNHVSA-N 441.453 7.444 30 10 IKEE COc1ccc2ccccc2c1C=NN1CCN(C2c3ccccc3-c3ccccc32)CC1 254382584 GAQHJFQPVLVRQA-UHFFFAOYSA-N 433.555 5.570 30 10 IKEE COc1ccc(-c2cc(C(C)=NOCc3ccccc3)c(C)n2-c2ccccc2F)cc1 254764001 QFWABJHKGDWRCI-UHFFFAOYSA-N 428.507 6.541 30 10 IKEE CC(=NOCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc(Br)cc1 254792515 RZKMYTZIOJIAPY-UHFFFAOYSA-N 446.370 5.030 30 10 IKEE Cc1c([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2C#N)c2ccccc2n1C 526607418 QGTQDAXIWWTLJL-VWLOTQADSA-N 437.474 5.555 30 10 IKEE COc1cc([C@@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc(Cl)c1O 526607998 BRNZLTNWBWNADI-JOCHJYFZSA-N 446.890 5.292 30 10 IKEE Cc1ccccc1N1C(=O)C(Nc2ccccc2C#N)=C(Sc2ccc(Cl)cc2)C1=O 526665378 JSVISDPZFPBQOK-UHFFFAOYSA-N 445.931 5.509 30 10 IKEE N#Cc1cccc(N2C(=O)C(Cl)=C(Nc3ccccc3Sc3ccccc3)C2=O)c1 526677374 BIDUVOBLIFKPIZ-UHFFFAOYSA-N 431.904 5.145 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1c(F)cccc1Cl 526817606 QALGTUVNAOUOLU-AQHIEDMUSA-N 427.307 5.600 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@@H]1CCCCN1C(=O)OC(C)(C)C 698428315 YUFXIMRRHODFBV-CPJSRVTESA-N 443.588 5.808 30 10 IKEE CCn1nc(C)c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)c1C 698497956 QGMRHTLDRZYKLE-QGZVFWFLSA-N 433.350 5.289 30 10 IKEE Clc1ccc(N=C/C(=C\Nc2ccc(Cl)c(Cl)c2)c2ccccc2)cc1Cl 1088696622 YFHPWXKYKBRVHX-IITJSDBNSA-N 436.169 8.156 30 10 IKEE COc1ccccc1C(=O)ON=C1CC(C)(C)Cc2c1cc(C)n2-c1ccc(C)c(C)c1 1772728400 LQBYHWVKTHDRKS-UHFFFAOYSA-N 430.548 5.945 30 10 IKEE COc1ccc(/C=C2/SC(=Nc3nc(C)cs3)N(c3ccccc3)C2=O)cc1OC 1772736191 IQDDYYWZCBTPBK-VLTWACRQSA-N 437.546 5.277 30 10 IKEE Fc1c(F)c(F)c(-c2cnc(-c3c(F)c(F)c(F)c(F)c3F)c(Cl)c2)c(F)c1F 1848358743 YUBYNVBNSLMCRP-UHFFFAOYSA-N 445.643 6.460 30 10 IKEE Cc1cccc(NC(=S)N/N=C\c2cn(-c3ccc(Cl)cc3)nc2-c2ccccc2)c1 1857810658 CWHSKNIDLNDRHK-YSMPRRRNSA-N 445.979 5.822 30 10 IKEE N#Cc1cccc(NC(=O)Oc2cccc3c(NC(=O)c4cccc(Cl)c4)cccc23)c1 1858770963 AMVKISKHWSFFBN-UHFFFAOYSA-N 441.874 6.228 30 10 IKEE C=CCOC(=O)c1sc(NC(=O)c2cc(C(C)(C)C)nc3ccc(Cl)cc23)nc1C 1859644493 PDQPGLJJAXFDQF-UHFFFAOYSA-N 443.956 5.546 30 10 IKEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 1861558939 ZDFVVESEBQSTQW-LVZFUZTISA-N 428.661 6.149 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)/C=C/c1ccc(OC)cc1OC 1861560539 GHHBSFJZHGHMQM-UZQAFXRVSA-N 446.632 5.259 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@@H]2c2ccccc2Cl)cc1 1862392234 SFBNTNOMRJAJOO-JOCHJYFZSA-N 425.956 6.061 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1C 1862401610 FTLVDNCQUNDKSH-BXKMTCNYSA-N 445.490 5.482 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCC)cc1 1862422068 WAGJALHTZQXUJK-NRFANRHFSA-N 429.463 5.132 30 10 IKEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@H]2c2ccccc2)cc1 1862429378 LQZKKNCJSSDLSU-HSZRJFAPSA-N 447.918 5.170 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1c(Cl)cccc1Cl 1862442563 FTVDJYDXYZQNJR-SFHVURJKSA-N 438.738 5.881 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc2c(c1)CCCN2C 1862452062 TYCXJTNNVCBVIG-JOCHJYFZSA-N 438.955 5.101 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2C2CCCC2)c1 1862537000 LYSDXKSBVWYRIK-DEOSSOPVSA-N 433.548 5.559 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(OCCCC)c(OC)c1 1862542033 YYWDNDHWBNTJJY-XMMPIXPASA-N 449.547 5.201 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccccc1 1862543864 QEPFQRZXBOAJMD-AHWVRZQESA-N 445.603 6.503 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccccc1 1862543917 RETXIZYRKCZOCE-SANMLTNESA-N 445.603 6.504 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1c(Cl)cccc1Cl 1862554255 YQAXQAMFDFZZDL-OAQYLSRUSA-N 442.342 5.637 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)cc1 1862595808 QAERHECBFMTVQT-OZWPHOJSSA-N 433.548 5.673 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCCCN(C)C)cc1 1862613256 GMGJXRQGROYNJA-DEOSSOPVSA-N 448.607 5.213 30 10 IKEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862668626 DBESSGGWCYIQAK-FQEVSTJZSA-N 447.453 5.054 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc2cc[nH]c2c1 1862677434 BQWGTYAARNDJIY-DEOSSOPVSA-N 448.538 6.246 30 10 IKEE N#Cc1ccccc1NC1=C(c2cccs2)C(=O)N(c2cccc(Cl)c2Cl)C1=O 1863115204 BXKSMQNJMKDYLY-UHFFFAOYSA-N 440.311 5.323 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@@H](C)CC)=C(c2ccc(OC)c(OC)c2)C1=O 1863520389 OPCBPDFKBBMRPT-IBGZPJMESA-N 444.616 5.313 30 10 IKEE C=CCN1C(=O)C(N[C@@H](C)c2ccc3c(c2)CCCC3)=C(c2cccc3ccccc23)C1=O 1863583018 JAJMCIUCIQGTQS-IBGZPJMESA-N 436.555 5.335 30 10 IKEE CCCCCCCCNC1=C(c2c[nH]c3ccccc23)C(=O)N(CCCOC(C)C)C1=O 1863815322 APBVANPMHIBGCK-UHFFFAOYSA-N 439.600 5.013 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](NC(=O)C[C@@H](c1ccc(OC)c(C)c1)C(C)C)c1ccccc1 1868718689 CNRKHCCSSAKCMD-SHQCIBLASA-N 448.607 5.191 30 10 IKEE CCCCCCCCC(=O)N1CC(Oc2ccc(CCC(=O)OC)cc2C(C)(C)C)C1 1869918227 SBMFZAHNCYSRBL-UHFFFAOYSA-N 431.617 5.430 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(Cl)cc2Cl)cn1CCC(C)C 1870345147 OQDLNBAQPUQNEE-UHFFFAOYSA-N 449.422 5.954 30 10 IKEE CCCCCCCOc1cn(CCc2ccc(F)cc2)c(CN(CCC)CCC)cc1=O 1870413201 VLTMCGCQRIXMIS-UHFFFAOYSA-N 444.635 6.201 30 10 IKEE CCCCCCCOc1cn(CCO)c(CNc2ccc(Cc3ccccc3)cc2)cc1=O 1870838517 HXFZJHKAGBCCHC-UHFFFAOYSA-N 448.607 5.393 30 10 IKEE C=CCn1cc(OCc2ccc(C(C)C)cc2)c(=O)cc1CNc1ccccc1C(C)C 1870897026 CNRNXTFWAOQUPG-UHFFFAOYSA-N 430.592 6.472 30 10 IKEE CCCCCCCCCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 1871318044 SGDAVNQVOAIGNZ-UHFFFAOYSA-N 444.598 7.779 30 10 IKEE Cc1c(OC(=O)CCc2ccc(Cl)cc2)ccc2c1O/C(=C\c1cccc(F)c1)C2=O 1871369065 XIGLRRJMEMUOKN-HMAPJEAMSA-N 436.866 5.942 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871369987 MCFVXDBYHWRSSF-XKZIYDEJSA-N 434.875 5.557 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)c(C)c1 1871412226 XKKPKKMEPCGURF-WTZXFZKGSA-N 445.490 5.773 30 10 IKEE Cc1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)c1C 1871413490 HYWGSDDFEGRCKG-ZKDCOOFMSA-N 431.463 5.465 30 10 IKEE CC(=O)Nc1ccc(C(=O)COc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871432535 KELAJHZVIBLHLS-MSXFZWOLSA-N 447.874 5.176 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 1871457744 WOBIJALKOMKRHH-YVNNLAQVSA-N 437.854 5.421 30 10 IKEE CCCCCCCCN=c1nc(N(CCC)CCC)[nH]c(=Nc2ccc(C)cc2C)[nH]1 1871602414 OKQHNRQCBMLSIT-UHFFFAOYSA-N 426.653 5.475 30 10 IKEE C[C@H](Oc1ccc(Cl)cc1)C(=O)[C@H](C#N)c1nc(-c2ccc3ccccc3c2)cs1 1872759981 DWNHLFWZKDLVDO-BTYIYWSLSA-N 432.932 6.260 30 10 IKEE Cc1cc(OCC(=O)[C@@H](C#N)c2nc(-c3ccccc3Cl)cs2)cc(C)c1Cl 1872764201 GPTGVABQTLYUDV-MRXNPFEDSA-N 431.344 5.989 30 10 IKEE CC(C)(C)c1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 1872773522 PTEBNINLQVBRBG-QGZVFWFLSA-N 439.924 6.159 30 10 IKEE COc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3cccc4ccccc34)cs2)c(OC)c1 1872774978 HXMNIXYKNGSLLM-OAQYLSRUSA-N 428.513 5.399 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccc(C(C)C)cc3)n2)cc1F 1872775301 NCNMMUWEJRHENM-HNAYVOBHSA-N 438.524 5.725 30 10 IKEE CCOc1ccc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc1OC 1872775822 BGKRJTYFPGMEDM-OAQYLSRUSA-N 448.588 6.150 30 10 IKEE CCCCCCCCCCNC1=C(c2cccc(Br)c2)C(=O)N(C(C)C)C1=O 1873053830 PTGZCGNHKGXIHV-UHFFFAOYSA-N 449.433 5.668 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2C)C(=O)N([C@@H](C)c2ccccc2)C1=O 1873102111 DJQXPKRWCHVQME-QHCPKHFHSA-N 446.635 6.566 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccccc2)=C(c2c(C)cc(C)cc2C)C1=O 1873330565 KRVQLPRHMGMCKL-UHFFFAOYSA-N 446.635 6.945 30 10 IKEE C=CCNC(=O)c1c(NC(=O)COc2ccc(C)cc2C(C)(C)C)sc2c1CCCC2 1873442008 BEDZKRJLKQXCJY-UHFFFAOYSA-N 440.609 5.166 30 10 IKEE FC(F)(F)c1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc2nccnc2c1 1873500061 BKDUXKZGJREQAD-NSKAYECMSA-N 448.861 5.068 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C(C)C)cc2)cc2c(NCc3cccnc3)ncnc21 1873608644 BIMNKIFBTICRHR-UHFFFAOYSA-N 426.524 5.000 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)cc2C)cc2c(NCCC3=CCCCC3)ncnc21 1873639537 YDWXFTNDVAJUQT-UHFFFAOYSA-N 429.568 5.789 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)c(C)c2)cc2c(N3C[C@@H](C)C[C@H](C)C3)ncnc21 1873666328 NIIYXQLUNHWPEE-HOTGVXAUSA-N 437.975 5.314 30 10 IKEE CCCCCCCCNC(=O)C[C@H](CNC(=O)c1ccccc1)c1ccc(Cl)cc1 1873886514 ZBMJKCNICDIXPD-JOCHJYFZSA-N 429.004 5.720 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccccc1OC 1874231060 QEAWYFHTGXYNOM-YDZHTSKRSA-N 430.961 5.212 30 10 IKEE CCCSc1nnc(Cc2ccc(OCC)cc2)n1/N=C/c1c(F)cccc1Cl 1874304320 SHGYWLXXLVYALP-ZVHZXABRSA-N 432.952 5.444 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1cccc(OCCC)c1 1874342222 FWQUNQFWWLQWQW-MFKUBSTISA-N 441.000 5.862 30 10 IKEE COc1cccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCc2ccc(C)cc2)c1 1874377335 QTIQEDAVYGLOOS-JVWAILMASA-N 446.551 5.500 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2/N=C/c2ccccc2)cc1 1874390291 GDFQUFHREPTMTO-WGOQTCKBSA-N 432.980 6.005 30 10 IKEE Clc1ccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccncc2)cc1 1874408774 PBFCKOZHZKIKAK-MFKUBSTISA-N 425.989 5.624 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2-c2ccccc2)cc1 1874430038 PXGKZVFJGLZDPA-VULFUBBASA-N 436.943 6.221 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2ccc(C)cc2)nnc1[C@H]1CCCO1 1874444286 VRBCYDFAOGRMQV-NJRDNMGOSA-N 436.581 5.401 30 10 IKEE Cc1cccc(CSc2nnc([C@H]3CCCO3)n2/N=C/c2ccccc2OC(C)C)c1 1874446781 KZZIIIAHFMFECK-BHSKHCGUSA-N 436.581 5.400 30 10 IKEE CCSc1nnc(C2CCCC2)n1/N=C/c1ccc(OCc2ccccc2)c(OC)c1 1874455585 ZSKUHQIAINZGPW-PCLIKHOPSA-N 436.581 5.518 30 10 IKEE C=CCSc1nnc(C2CCCC2)n1/N=C/c1ccc(OCCCCCC)c(OC)c1 1874456769 JTOULFMIIAUIBT-XIEYBQDHSA-N 442.629 6.064 30 10 IKEE Cn1cccc1/C=N/n1c(SCc2ccc(Cl)c(Cl)c2)nnc1C(F)(F)F 1874462921 LBQUHHBUEKTBES-GZIVZEMBSA-N 434.274 5.117 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874475782 RHZQEFJLTPTSIR-ZMOGYAJESA-N 444.988 5.471 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C2CCC2)c1 1874496692 ZBUHUZZOSYXOOE-BHGWPJFGSA-N 447.391 6.041 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccccc1OC(C)C 1874510774 VJKMFVCYQRFAHY-ZVHZXABRSA-N 428.989 5.846 30 10 IKEE CCCOc1ccc(/C=N/n2c(C)nnc2SCc2ccccc2F)cc1OCC 1874532171 AJBFDLMSSIFULN-ZVHZXABRSA-N 428.533 5.088 30 10 IKEE Sc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1cccc2ccccc12 1874569107 HLOMCPVMMCKVSW-OVVQPSECSA-N 438.556 5.767 30 10 IKEE CCc1ccc(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1 1874571897 LXEITLPMQWRNKE-OBGWFSINSA-N 439.555 6.041 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1)c1ccc(Cl)cc1Cl 1874606047 SCTYKMFPNLQILD-XBXARRHUSA-N 435.709 7.261 30 10 IKEE O=C(/C=C/c1ccc(OCc2c(F)cccc2Cl)c([N+](=O)[O-])c1)c1ccccc1Cl 1874608747 FPCVTKPJYFAVNY-CSKARUKUSA-N 446.261 6.516 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OCC(=O)Nc1ccccc1F 1874613437 UKZLCMCJQWHXFJ-PKNBQFBNSA-N 439.870 5.401 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCC(=O)NCc3ccco3)cc2)cc1C(C)C 1874627765 VECXOCHAJJUIKU-FMIVXFBMSA-N 447.531 5.311 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OCc1cc(C)ccc1C 1874633219 RJEBGTWCCGNUDK-ZRDIBKRKSA-N 448.990 7.447 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2cccc3ccccc23)c1)c1ccc2ccccc2c1 1874692438 GZNKDURYARZHIQ-OBGWFSINSA-N 428.487 7.108 30 10 IKEE Cc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccccc3)c2)c(C(C)(C)C)c1 1874700440 SRFIEIOJBMPGJF-CCEZHUSRSA-N 428.528 6.173 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1cccc(Cl)c1 1875098664 HDGVOZHSICPZOI-UKTHLTGXSA-N 446.930 6.343 30 10 IKEE Cc1ccc(C)c(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3F)cc2)c1C 1875120296 MHCXMULYTXVMMS-MDWZMJQESA-N 436.454 5.771 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2OC)cc1 1875140109 QBFGTXFLHPHJQN-NTCAYCPXSA-N 442.555 6.309 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(OC)ccc2OC)cc(Cl)c1OC(=O)C(C)C 1875144786 OYFDQPCYHRTVLU-VQHVLOKHSA-N 432.900 5.213 30 10 IKEE Cn1c(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2)cc2ccccc21 1875148349 BQVSZACMHXFUSB-WOJGMQOQSA-N 437.539 6.591 30 10 IKEE CSCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] 1875156477 BZOPTNXYKVAHRK-WUXMJOGZSA-N 427.522 5.663 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(C)c3C)cc2)cc1 1875167401 CQFIKVRIWWTLKT-MHWRWJLKSA-N 444.527 5.755 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Br)c1OC(=O)CC 1875176774 PAIRJKPXZQXDFE-CSKARUKUSA-N 431.326 5.676 30 10 IKEE C=C([C@H](NC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(C)(C)C 1875647021 RYLILHJHJXKYAU-WUFINQPMSA-N 445.603 6.068 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)Nc3cc(Cl)cc(Cl)c3)ccc21 1891158921 ZHDFDCYHSHYXBZ-UHFFFAOYSA-N 434.323 5.575 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C 1922107147 JSNSNVKFMMMGER-DQEYMECFSA-N 436.596 5.100 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1[C@@](C#N)(N(C(=O)OC(C)(C)C)C1CCCCCC1)C2 1950074259 IGBPSUATKPYDOJ-RGZWJVDOSA-N 433.593 5.238 30 10 IKEE C=CCCC[C@@H](NCCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997468958 KMIIQONQDVCZPK-BVAGGSTKSA-N 430.633 5.555 30 10 IKEE C=C(Cl)C[C@@H](NC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2016751866 JNSWRXHMWBNVBN-BVAGGSTKSA-N 437.967 5.609 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCC1)[C@@H](C#N)[C@@]1(C)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2022145411 RRSUUCQQXMMMFT-MHECFPHRSA-N 435.609 5.484 30 10 IKEE CC(C)(C)OC(=O)NC1CCC([C@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccccc2)CC1 2027940859 PKNTZFBCNHAYFI-BRVOVERQSA-N 443.588 5.794 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)C1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2042135443 BKBWGFWETUVDCL-OALUTQOASA-N 449.636 5.732 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1C[C@H]2CC[C@H]1CN(C(=O)OC(C)(C)C)C2 2053004877 WECCNIGSQRRFOR-ROHNOIKCSA-N 442.644 5.411 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@H]2C2CC2)c1 2067978840 GOXMLLZBZVVSSX-NBGIEHNGSA-N 441.572 5.418 30 10 IKEE Cc1ccc([C@@H](n2nc(C(F)F)c(C=NO)c2Br)C(C)(C)C)c(F)c1F 2079958997 XKRNCNFCQDLSMB-CQSZACIVSA-N 436.247 5.613 30 10 IKEE CCc1nn([C@H](c2c(C)cc(C)cc2C)C(C)C)c(I)c1C=NO 2079978473 AXHGZQNPAIFUQY-SFHVURJKSA-N 439.341 5.029 30 10 IKEE C[C@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(C)(C)C)c(C=NO)c1Br 2080036173 IOVKVCPPNKFQHV-SECBINFHSA-N 436.247 5.518 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Cl)cc(Br)c1 2136654767 BKQABDCBMHEMFK-ZWKOTPCHSA-N 445.829 6.003 30 10 IKEE CN[C@@H](CC#CC1CCCCC1)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2149851004 RGFOMVHGJXCFQE-IBGZPJMESA-N 435.406 6.030 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CC12CCC(Nc1ccc(C#N)c(Br)c1F)CC2 2162321272 TXWUYCDZKHDVOC-KLSXAPCHSA-N 438.341 5.098 30 10 IKEE Brc1cccc(Br)c1CN=C1N[C@H](c2ccsc2)CS1 2175632676 XEZOJXIJAHPLSJ-ZDUSSCGKSA-N 432.206 5.207 30 10 IKEE C=CCCCCCCCC(=O)c1ccc(Br)cc1I 2227283182 YMMFZQMZLQSEDY-UHFFFAOYSA-N 435.143 6.153 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1sc(C)c(C)c1Br 2229299139 DBWHRQWTWAMBMT-WBVHZDCISA-N 443.451 5.475 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)C1(C)CCN(Cc2ccccc2)CC1 2235736244 XIJCNNNWAIGKLN-HSZRJFAPSA-N 425.414 5.081 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCC[C@H](C(C)(C)C)C1 2238180191 OQGBQZOUSDSJQJ-AOMKIAJQSA-N 435.406 6.689 30 10 IKEE CCN[C@H](C#CC1CCCCC1)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2251406966 KCXKJVLEHFKZJQ-AGILITTLSA-N 428.617 5.047 30 10 IKEE CC(C)(C)OC(=O)NC[C@]1(C)CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2258801448 BMDQWUYYBACJPQ-BJKOFHAPSA-N 447.551 5.544 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N(Cc1ccccc1)Cc1cccs1 2267241606 NTAATXADOKPJGO-UHFFFAOYSA-N 447.409 5.198 30 10 IKEE CC1(C)OB(c2cc(C(=O)N(Cc3ccccc3)C3CCCCC3)ccc2F)OC1(C)C 2267445992 MOVGPMAYGZVQAB-UHFFFAOYSA-N 437.364 5.100 30 10 IKEE C=CCCC1([C@H](NCC)c2ccc(Br)c(C)c2)CN(C(=O)OC(C)(C)C)C1 2281049683 BYRGZIBSMRTTIO-LJQANCHMSA-N 437.422 5.611 30 10 IKEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)Nc1ccccc1OCc1ccccc1 2282666219 WAGOOOZOLMHIKS-UHFFFAOYSA-N 443.352 5.126 30 10 IKEE Cc1ccc(N=C2NC(=O)C(=Cc3cc(C)n(-c4ccc(N(C)C)cc4)c3C)S2)cc1 2294009832 KBJYLXCDJFHQBD-UHFFFAOYSA-N 430.577 5.360 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)c1cccc(NC(=O)OC(C)(C)C)c1 2296215492 AULDSYOXWDPOEO-HXUWFJFHSA-N 429.358 5.498 30 10 IKEE CCN[C@@H](C#Cc1cccc(Br)c1)c1ccc(CNC(=O)OC(C)(C)C)s1 2296283218 DHJVJSORPPITHT-SFHVURJKSA-N 449.414 5.238 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](C#Cc1ccc(Br)cc1)NCCC 2296290560 DXLSQUGEDMFBSS-PMACEKPBSA-N 435.406 5.028 30 10 IKEE O=C1C(=Cc2cccc(Br)c2)CSC1=Cc1cccc(Br)c1 2297337387 SRRKCHWZJUBXCB-UHFFFAOYSA-N 436.168 5.952 30 10 IKEE COC(=O)c1ccc(C=C(C(=O)c2cc(OC)cc(OC)c2)c2nc3ccccc3o2)cc1 2297471815 QNFZMVNIBKEMSX-UHFFFAOYSA-N 443.455 5.055 30 10 IKEE COc1cccc(C=C2SC(=Nc3cc(C)ccc3C)NC2=O)c1OCc1ccccc1 2297558809 AGSZEXNLOBCDSE-UHFFFAOYSA-N 444.556 5.783 30 10 IKEE CCN1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=Nc1cccc(C)n1 2314540036 HICWGGHPUALTMP-UHFFFAOYSA-N 434.477 5.182 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)O3)CN([C@H](C)c1ccccc1)CO2 2322092537 IAEZRKBWJHLPBE-QGZVFWFLSA-N 442.471 5.433 30 10 IKEE COc1ccc([C@@H](C)N2COc3ccc4c(c3C2)OC(=Cc2cccc(C)c2)C4=O)cc1 2322239863 OVWFXGWCQWWSPB-GOSISDBHSA-N 427.500 5.533 30 10 IKEE Cc1c(OC(=O)c2cccs2)ccc2c1OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2322667659 SSIKCUUOIAXFGD-UHFFFAOYSA-N 431.296 6.199 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccccc1OCC(=O)Nc1ccccc1F 2322845623 HAIGJCYKIXOJMU-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1ccc2c(c1)OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2323105960 PYZNELXDLJIASI-UHFFFAOYSA-N 449.846 5.403 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1OCc1cccc(Cl)c1 2323177909 IVWDJNMPBQAXHF-UHFFFAOYSA-N 436.891 5.595 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC)c(OCc3ccccc3)c2)c1 2323260405 CNIMOABUOARFOI-UHFFFAOYSA-N 432.516 5.968 30 10 IKEE CCCCCCCOc1ccccc1C=Nn1c(COc2ccccc2)nnc1SC 2323589267 GCMJAOIEYLAXOS-UHFFFAOYSA-N 438.597 5.810 30 10 IKEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(OC)cc3)cc2Cl)o1 2323628272 LZOFMNVOHGRYTB-UHFFFAOYSA-N 426.852 5.203 30 10 IKEE Cc1c(OC(=O)c2cccc(OC(C)C)c2)ccc2c1OC(=CC=Cc1ccccc1)C2=O 2323812585 GLJDMIWEKYYRQE-UHFFFAOYSA-N 440.495 6.174 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1 2324055361 AXZXJHVGJRDRGD-UHFFFAOYSA-N 431.507 6.037 30 10 IKEE CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O 2324325005 NJFGKZUTJYYIAE-INIZCTEOSA-N 447.462 5.247 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OCC(=O)Nc2ccc(C)cc2C)cc1 2324357136 YZSLJDDIAMIRKY-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OCCCOc4ccc(C)cc4)c3C)C2=O)c1 2324545701 SDAKFEGSNZKYCK-UHFFFAOYSA-N 430.500 5.776 30 10 IKEE CCOC(COc1cc(C)c2c(c1)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O)OCC 2324741941 YGUOCQHIPNTSKK-UHFFFAOYSA-N 444.527 6.056 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@H](C#N)C(=O)C=Cc2cccc(Cl)c2)n1 2324847668 UNCFPKCSTNICQP-QGZVFWFLSA-N 429.328 6.015 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccc4ccccc4c3)ccc2C1=O 2324959032 OSVNSHDNRLFOPC-UHFFFAOYSA-N 435.479 5.782 30 10 IKEE CCOc1ccc(C=CC(=O)C(=O)NC2CCCCCCCCCCC2)cc1OCC 2325716571 BQCBYDPPVVRRQU-UHFFFAOYSA-N 429.601 5.856 30 10 IKEE COc1ccc(C=C2Oc3cc(OCC(=O)Nc4cccc(Cl)c4)cc(C)c3C2=O)cc1 2325717073 PHZSCRNXRNFCNW-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)c2)cc1 2325719394 TVGCCDLYKIRNRY-FQEVSTJZSA-N 444.527 6.088 30 10 IKEE COc1ccccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccc(Cl)cc1)C2=O 2325736247 BYXDNHOACIWMAF-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OC(=O)Cc1ccc(F)cc1F 2325739618 LJLAPIASURPJSZ-UHFFFAOYSA-N 436.454 5.634 30 10 IKEE CSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccccc1OC(C)C 2325974676 FOICQSUYXKZATP-UHFFFAOYSA-N 444.988 5.334 30 10 IKEE CCOc1cc(C=Nn2c(C)nnc2SCc2ccccc2)cc(Cl)c1OC(C)C 2326211659 HDMRFSMSHASOIX-UHFFFAOYSA-N 444.988 5.600 30 10 IKEE CCOc1c(C=Nn2c(C)nnc2SCc2ccc(C(C)(C)C)cc2)cccc1OC 2326318034 TWSMGWDISWANIT-UHFFFAOYSA-N 438.597 5.466 30 10 IKEE CCOc1ccc(C=Nn2c(CC)nnc2SCc2ccc(C)cc2C)cc1OCC 2326442284 GTXUGERFEMDVCT-UHFFFAOYSA-N 438.597 5.429 30 10 IKEE CCCSc1nnc(COc2ccccc2Cl)n1N=Cc1cn(C)c2ccccc12 2327678990 GQIAFWREULNMSQ-UHFFFAOYSA-N 439.972 5.387 30 10 IKEE Cc1ccc(OCc2nnc(SCc3cccc(F)c3)n2N=Cc2ccc[nH]2)cc1C 2328782123 IRJVTYGJIJYHPV-UHFFFAOYSA-N 435.528 5.116 30 10 IKEE C=CCSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1cn(C)c2ccccc12 2328961699 OFAOHQSLCZPXMY-UHFFFAOYSA-N 429.593 5.332 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2cccc(Cl)c2)cc1 2329277869 FERMEIOKMSTSKH-UHFFFAOYSA-N 448.979 5.705 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2ccc(Cl)cc2)cc1C 2329422111 RJHTUVFDBSMAAY-UHFFFAOYSA-N 447.007 6.314 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3C)n2N=Cc2cccc(F)c2)cc1 2329465356 HLCJOQVRHDDOJL-UHFFFAOYSA-N 444.579 5.994 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2)n1N=Cc1ccc(C(=O)O)cc1 2330103965 VHPOVTCGNOBORI-SFHVURJKSA-N 442.544 5.303 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccccc2)n1N=Cc1ccc([N+](=O)[O-])cc1 2330634862 QRQIQXJZKUMPJX-UHFFFAOYSA-N 429.505 5.336 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3ccccc3Cl)cc2)cc1 2330741165 LJDHTEQSEMQLJF-UHFFFAOYSA-N 448.946 6.563 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(OC(C)=O)cc3)cc2)cc1 2330824688 QBMYFBGRHAGGHI-UHFFFAOYSA-N 442.511 6.070 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCCC3)n2N=Cc2c(F)cccc2Cl)c1 2331076162 IPWNZMFLICYCJI-UHFFFAOYSA-N 442.991 6.520 30 10 IKEE O=[N+]([O-])c1cccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CCCC2)c1 2331094049 MWXCVCNNYRIERF-UHFFFAOYSA-N 441.944 5.672 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 2331149716 CZDPNJJEZOWCLJ-UHFFFAOYSA-N 443.927 6.800 30 10 IKEE Brc1cccc(C=Nn2c(SCc3ccccc3)nnc2-c2ccco2)c1 2331205293 ADIUCTZOXMEQJM-UHFFFAOYSA-N 439.338 5.475 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc([N+](=O)[O-])c1OC(=O)CC 2331246086 BHFRYURKPRSURY-UHFFFAOYSA-N 438.263 5.512 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1cc(C)cc(C)c1 2331292866 PPUZVUYCBYOYET-UHFFFAOYSA-N 440.539 6.464 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)Cc1cccs1 2331312229 XIJPGKCPHWNFIH-UHFFFAOYSA-N 440.948 6.071 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC(=O)CC1CCCCC1 2331370262 STUVFQDCWFXYFQ-UHFFFAOYSA-N 436.548 6.174 30 10 IKEE CCCSc1nnc(C(C)(C)C)n1N=Cc1ccc(N(CC)Cc2ccccc2)cc1 2331402172 WILLERPAWHQSSI-UHFFFAOYSA-N 435.641 5.986 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(Br)c3)cc2)cc1 2331489935 LZHLEUKEQHGMSI-UHFFFAOYSA-N 449.344 6.688 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)cc2OC)cc1Br 2331723842 DDHPQYPSPJADMM-UHFFFAOYSA-N 447.325 5.458 30 10 IKEE CC[C@@H](C)[C@@H](COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339578285 FCHGBUTWATYSAF-DEWHONNTSA-N 446.397 5.044 30 10 IKEE C[C@@H](CCCCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339579387 VNDGQQZKNVHDAA-JJJPLKNQSA-N 446.397 5.189 30 10 IKEE CC1(C)CCCC[C@]1(C=O)Cc1ccc(I)c(Br)c1 2349921370 SHYDOOOLPPRVHX-MRXNPFEDSA-N 435.143 5.382 30 10 IKEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(C)c(C)c(Br)c(C)c1C 2375346740 FGKZJWJNHPIEHZ-FXAWDEMLSA-N 437.422 5.250 30 10 IKEE COc1cc2c(cc1OC)-c1c(C#N)c(-c3ccc(C)cc3)c(C(=O)c3ccccc3)n1CC2 624411 BGQVBRJXDWLQKK-UHFFFAOYSA-N 448.522 5.807 30 10 IKEE CCOc1cccc(/C=C2\Oc3cc(OC)ccc3C2=O)c1OC(=O)c1ccccc1F 8823929 VVMINTCBCQJIOE-XKZIYDEJSA-N 434.419 5.068 30 10 IKEE C=CCOc1cccc(NC(=O)C2CCC(C(=O)Nc3cccc(OCC=C)c3)CC2)c1 8905220 SVVOVCDLRITDFN-UHFFFAOYSA-N 434.536 5.200 30 10 IKEE COc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 9601017 RKVRSJGSJWAWLW-SMSORMJASA-N 431.535 6.916 30 10 IKEE O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1Cl)c1c(nn(-c3ccccc3)c1O)N2 17094737 OAHUYQDEEDRQHR-GOSISDBHSA-N 426.303 5.449 30 10 IKEE O=C(/C=C/c1ccc2cccnc2c1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O 17191571 ZNIJKFJWEBVTNH-UKTHLTGXSA-N 436.898 6.293 30 10 IKEE Cc1ccc(NC(=S)C2=C(NC3Cc4ccccc4C3)CC(C)(C)CC2=O)c(Cl)c1 21344825 HWSUDPNJUAYSBA-UHFFFAOYSA-N 439.024 5.788 30 10 IKEE C=CCc1cc(/C=C2/SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1O 33458492 RFYWNYOHPGQXLR-VCHYOVAHSA-N 431.966 5.497 30 10 IKEE C=CCNC(=O)c1csc(-c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2F)n1 34713171 CNRQZVIFNVSODR-UHFFFAOYSA-N 436.430 5.463 30 10 IKEE C=CCOc1cccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccccn2)c1 35514456 FCIYQDIOKJAUAL-DEOSSOPVSA-N 438.483 5.119 30 10 IKEE O=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)Oc2ccc(Br)cc21 39842547 OEBGITAMFGGGNI-NVMNQCDNSA-N 436.088 6.632 30 10 IKEE C=CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(OC)cc2)cc1 39872390 WNVORKJHDKNHLT-XMMPIXPASA-N 439.467 5.116 30 10 IKEE C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C/Cn1c[n+](C)c2ncnc(NO)c21 45355712 DPKZZZXQPZKTGJ-SYKKHXDTSA-N 438.640 5.582 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(ccc(OCc4cccc(F)c4)c3C)C2=O)cc1 62957626 AOUFVQKNJQZINY-XYGWBWBKSA-N 431.507 6.176 30 10 IKEE CCCCCCCOc1cccc(NC(=O)CNc2cccc(OC[C@H]3CCCO3)c2)c1 100091145 SPLIRDCUMCCZBZ-RUZDIDTESA-N 440.584 5.644 30 10 IKEE C=C(C)COc1ccccc1NC(=S)NC(=O)c1ccc(OCCCCCCC)cc1 100233823 YLFLUEKNMBDQNB-UHFFFAOYSA-N 440.609 6.118 30 10 IKEE CCCCCCCCCCCn1c([C@@H](C)NC(=O)c2ccc(OC)cc2)nc2ccccc21 102222179 UFIXUPNZCWOWAV-JOCHJYFZSA-N 449.639 7.067 30 10 IKEE CCCCCCCOc1ccc(C(=O)N2CCC(c3cn(C)c4ccc(C)cc34)CC2)cc1 103016927 SZIIFWLXRGJEFM-UHFFFAOYSA-N 446.635 6.856 30 10 IKEE Cc1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl 103091934 UWMZZDQZVQILKT-SADKCHQCSA-N 448.862 5.183 30 10 IKEE C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1C/C(=C/c1ccc(C(F)(F)F)cc1)C2=O 118919561 CMCWTYNIVZMUIH-FRVLCHLFSA-N 430.554 7.701 30 10 IKEE CCCCCCOc1ccc(/C=N\n2c(S)nnc2Cc2ccc(F)cc2)cc1OC 169913777 XADKSVURAWQMLT-XYGWBWBKSA-N 442.560 5.147 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(Oc3cc(C)ccc3C)cc2)NC(=S)N1C 169935256 CMBHOAOSERSRKI-RUZDIDTESA-N 442.584 6.114 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2c2ccccc2C)c1 169936792 FZKFCVOBLGILJF-XMMPIXPASA-N 443.499 5.104 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccccc3[nH]2)c1 169973212 RNZSNHQFORRBGD-NRFANRHFSA-N 443.890 5.308 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@H]1c1ccccc1F 170070253 MWSBSYOURZAVDX-QHCPKHFHSA-N 449.453 5.373 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1c1ccccc1 170122415 FXELSUMJOJFNIF-RUZDIDTESA-N 439.511 5.357 30 10 IKEE Cc1ccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)c(C)c1 170169380 QMCPKSOJXRWIDF-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccncc1)c1ccc(Cl)c(Cl)c1 170199300 YWOWREDDJIFYOX-LJQANCHMSA-N 443.261 5.310 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccncc1)c1cccc2ccccc12 170203739 IDNVTQXPDNLPBQ-QHCPKHFHSA-N 440.886 5.671 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(OCC)cc2)cc1 170214746 GWDUKQCXTDAASO-QHCPKHFHSA-N 435.520 5.005 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccc2)cc1 170222795 JELMDUWAJUYTPI-QHCPKHFHSA-N 431.463 5.396 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccccc2)c1 170222991 QFKUFCFKVGWKQT-QHCPKHFHSA-N 449.453 5.535 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@@H]1c1ccc(C(C)C)cc1 170245432 DHKFNAGVGMTLSA-QFIPXVFZSA-N 441.955 5.850 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2OC)[C@H]1c1c[nH]c2ccccc12 170256125 KTFURSBGTFMMQO-HSZRJFAPSA-N 432.520 5.253 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccc(O)c2)cc1 170258203 JNDLJSRQAARCLC-QHCPKHFHSA-N 447.462 5.101 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1cccc(O)c1 170259292 HWMMISNAVMTLGK-XMMPIXPASA-N 441.527 5.781 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC(C)C)c(C)c3)[C@@H]2c2ccco2)cc1 170287715 JGZGERWXKKGKCS-DEOSSOPVSA-N 445.515 5.714 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1ccco1 170288042 VKIXXKPRXVFTHW-HSZRJFAPSA-N 445.515 5.677 30 10 IKEE CCCCC1CCC(C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)CC1 170494004 FPNHMNDVBPAIJE-UHFFFAOYSA-N 426.560 7.420 30 10 IKEE COc1ccc(-c2ccc(Nc3oc(-c4ccccc4)c(-c4ccccc4)c3C#N)nn2)cc1 170542388 QMUKEUNCXXETQT-UHFFFAOYSA-N 444.494 6.694 30 10 IKEE Cc1ccc(/C=C2/SC(=S)N(N=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1 254761810 IVPFVTFQOUFMCQ-QGTAZMLTSA-N 449.513 5.399 30 10 IKEE C=C1/C(=C/C=C2\CCC[C@]3(C)C([C@H](C)C/C=C/C(O)(CC)CC)=CC[C@H]23)C[C@H](O)C[C@@H]1F 256429099 LRLWXBHFPGSUOX-GUGBIIMASA-N 442.659 7.158 30 10 IKEE CN(C)c1ccc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526487706 GDUDQKFHCAECRY-HSZRJFAPSA-N 429.907 5.335 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccc(Cl)c2)cc1OC 526489889 UFDWLGIILMKEEK-QHCPKHFHSA-N 446.890 5.286 30 10 IKEE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@H]1c1cccs1 526492524 ZUWYLYQFYINKPI-NRFANRHFSA-N 432.501 5.084 30 10 IKEE Cc1ccc(SC2=C(Nc3ccccc3C#N)C(=O)N(c3cccc(C)c3C)C2=O)cc1 526660670 OSGZYOCXMPADMF-UHFFFAOYSA-N 439.540 5.473 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1ccccc1OCC(C)C 526808482 LHYPKZGKHIFTGO-QQXSKIMKSA-N 436.625 6.138 30 10 IKEE Cc1cc(C)cc(CSc2nncn2/N=C\c2cc(Cl)c(OC(C)C)c(Cl)c2)c1 526809904 QGIVKPHTXUTDSO-MRUKODCESA-N 449.407 6.163 30 10 IKEE CCCCCCCCC[C@@H](O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 695817663 PLSKZAGVGCCXSQ-XMMPIXPASA-N 446.676 6.048 30 10 IKEE Cc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)c(Cl)c1 698393676 WLOOWGRFNTZMKK-GOSISDBHSA-N 435.749 6.417 30 10 IKEE CCC[C@@H]1CC[C@H](C#N)[C@@H]([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)C1 700361380 ZEGISDNGHKYMSK-MGOSVXKISA-N 446.547 5.334 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCC[C@H](CNC(=O)OC(C)(C)C)C2)cc1 724086455 GLNLZZVQJOMJNV-DFBJGRDBSA-N 443.588 5.714 30 10 IKEE C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C(C)C)cc2)[n+]2cc(O)ccc2C)c1 726572944 RFXMOUFNBJGOJJ-UHFFFAOYSA-O 429.565 5.416 30 10 IKEE CCOC(=O)C(=NNc1ccc(C)cc1)Sc1nc2ccccc2n1-c1ccccc1 1084224461 GAPMVWWWPHELKZ-UHFFFAOYSA-N 430.533 5.415 30 10 IKEE Fc1ccccc1Cn1cc(C=NNc2c(F)c(F)c(F)c(F)c2F)c2ccccc21 1565518895 OCLZJAXSUFFYAO-UHFFFAOYSA-N 433.355 5.970 30 10 IKEE C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](OS(C)(=O)=O)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1 1690140243 LSAACYNNLMENON-SJGYZXBPSA-N 427.610 5.383 30 10 IKEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1740783303 DDAFBKOPBFQOOF-GOSISDBHSA-N 425.602 5.000 30 10 IKEE C/C(C=NN=C1S/C(=C/c2cccs2)C(=O)N1Cc1ccco1)=C\c1ccccc1 1772758990 IVZXFHNYNAOJMB-SRRAQVSTSA-N 433.558 5.903 30 10 IKEE C/C(C=NN=C1S/C(=C/c2cccs2)C(=O)N1Cc1ccco1)=C/c1ccccc1 1772758991 IVZXFHNYNAOJMB-ZXXSXVNFSA-N 433.558 5.903 30 10 IKEE CCCCCCCOc1cccnc1NC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 1858741218 NRHMERQDKRKDPB-KNTRCKAVSA-N 444.575 6.662 30 10 IKEE N#Cc1cccc(C(=O)Oc2ccc(CNC(=O)c3ccc(Cl)c(Cl)c3)cc2)c1 1859017643 NMEFTQJPDHDFTB-UHFFFAOYSA-N 425.271 5.014 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)CSC(C)C 1860924542 DUPVPRGUYFMHST-JOCHJYFZSA-N 438.653 5.252 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)Cc1ccc(OCCC)c(C)c1 1860985438 XRHPRSKLSUUTBJ-HHHXNRCGSA-N 446.676 5.868 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccc(Cl)cc2Cl)cc1C 1862408408 LJZWWKSKXPMWAG-IBGZPJMESA-N 432.303 5.051 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc2cc[nH]c2c1)c1ccc(F)cc1F 1862414649 FKNUSAGRFZABSL-QFIPXVFZSA-N 436.458 5.357 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccc(O)cc2)cc1 1862490604 ZKYGHPRTGOLDSP-RUZDIDTESA-N 441.527 5.138 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2ccc(F)cc2)ccc1F 1862501371 BDWIFXUFJTZLTP-OAQYLSRUSA-N 439.483 5.156 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2cccc(O)c2)cc1 1862513860 AQTLPQIQGRXMQK-BSDZUQITSA-N 449.547 5.338 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1cccc(F)c1 1862530677 VWBZMGJGDRKJMG-QHCPKHFHSA-N 439.527 5.173 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CC(C)C)cc1 1862618922 JMIIPEKHUHPTDQ-HSZRJFAPSA-N 435.564 5.617 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CC)cc1OCC 1862657073 UOCYZDBUSBQUSY-XMMPIXPASA-N 445.515 5.235 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccccc2)cc1 1862662036 ZNAKXSYHINHHDS-DEOSSOPVSA-N 429.491 5.728 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(Cl)c(Cl)c2)c1 1862705667 DJJBSINOAONSDQ-HXUWFJFHSA-N 446.330 5.523 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(C(C)C)cc1 1862714263 IACRWWLQMXGGQJ-BVZFJXPGSA-N 427.544 6.340 30 10 IKEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@@H]2c2ccccc2F)cc1 1862732794 LMYNAZYJXCICGH-HSZRJFAPSA-N 439.527 5.773 30 10 IKEE CCOc1ccccc1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(Cl)cc2)C1=O 1862790580 VGMWESRTEFGPFB-UHFFFAOYSA-N 443.890 5.007 30 10 IKEE Cc1ccc(Cl)cc1NC1=C(c2ccc(Cl)cc2)C(=O)N(c2cccc(C#N)c2)C1=O 1862798774 PPIMZGVKBUTGOB-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)NC[C@@H]1COc2ccccc2O1 1866029922 PIQIEHHDPSCDOQ-XMMPIXPASA-N 431.661 7.204 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3ccccc3[C@H]2C(C)C)nc(-c2ccccc2C)n1 1869141259 MYHGBKHJAITOMB-MUUNZHRXSA-N 438.619 6.390 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N2C[C@@H](C)C[C@@H](C)C2)nn1-c1ccc(OC)cc1 1870017150 VGUQUPNTOPEEKJ-BGYRXZFFSA-N 441.620 5.447 30 10 IKEE Cc1ccc(-n2nnc(C#N)c2NC(=O)c2cccc(Oc3ccccc3)c2)cc1Cl 1870153167 FVZGGOLXNTXPBD-UHFFFAOYSA-N 429.867 5.145 30 10 IKEE CCCCCCCCCCn1cc(OCc2c(C)noc2C)c(=O)cc1CSC(C)C 1870303110 FKNCYASUDBEZED-UHFFFAOYSA-N 448.673 6.814 30 10 IKEE CCCCCCCOc1cn(C[C@H](c2ccccc2)N2CCCC2)c(CN(C)C)cc1=O 1870414631 TXPYPWRFNXGUJU-RUZDIDTESA-N 439.644 5.096 30 10 IKEE Cc1nc(-c2ccc(Oc3ccc(F)cc3)cc2)sc1C(=O)Nc1ccccc1C#N 1871283189 AUCKHVVPQGGOEC-UHFFFAOYSA-N 429.476 6.174 30 10 IKEE CCN(CC)CCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(C(C)C)cc1)C3=O 1871349197 QCMBPOWGWAGQBI-XYGWBWBKSA-N 448.607 5.618 30 10 IKEE CCCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)o2)C3=O)c1 1871391135 NITVABYYBJWEIX-HMAPJEAMSA-N 446.455 5.437 30 10 IKEE Cc1c(O[C@@H](C)C(=O)OC(C)C)ccc2c1O/C(=C\c1ccccc1Br)C2=O 1871401091 UCHWGFAAMBORRI-KVMVOAJRSA-N 445.309 5.093 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccccc2C)C3=O)cc1 1871409024 WGDKYBXFLJZLGU-OQLNFPPLSA-N 427.500 5.634 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1ccc2c(c1)O/C(=C\c1cccc(OC)c1)C2=O 1871434432 SSNYCUKFBPUQOT-ZKFYFQMZSA-N 438.520 5.592 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc(OCC(=O)Nc3c(C)cccc3C)c2C)C1=O 1871440318 IXYCRSYQSSQLLB-NDENLUEZSA-N 433.529 5.615 30 10 IKEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1cc(C)ccc1C 1872500249 VIUICCHEIVCFMX-OAQYLSRUSA-N 449.016 5.249 30 10 IKEE CCc1cccc(CC)c1N1C[C@H](C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)CC1=O 1872768088 JBQTZIVGJLVOQB-RTWAWAEBSA-N 443.572 5.164 30 10 IKEE COc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)c1 1872779517 LOKFIKXHZLFIBK-JOCHJYFZSA-N 426.497 6.101 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCC)=C(c2c(Cl)cccc2Cl)C1=O 1873093881 BFCYXYNSZQREPS-UHFFFAOYSA-N 425.400 5.824 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H]2CCCC[C@H]2C)=C(c2ccc(OC)cc2)C1=O 1873142609 NXEFCZRDWZEAEA-DENIHFKCSA-N 426.601 5.304 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2OC(C)C)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873276972 XIYDLWORSHDUTP-UHFFFAOYSA-N 438.527 5.519 30 10 IKEE Cc1cc(C)c(C2=C(Nc3ccccc3C#N)C(=O)N([C@@H](C)c3ccccc3)C2=O)c(C)c1 1873329048 FQIVWFIJROECII-FQEVSTJZSA-N 435.527 5.437 30 10 IKEE C=CCn1c(C(=O)Nc2cc(Cl)cc(Cl)c2)cc2c(NCc3ccco3)ncnc21 1873623882 WRCRDHHKOLSBLE-UHFFFAOYSA-N 442.306 5.382 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 1873935740 XRIAYTYRBQRPGP-HZCBDIJESA-N 436.662 5.028 30 10 IKEE CSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1cccc(Cl)c1 1874197886 FKVAXHJOFGDWDK-PCLIKHOPSA-N 436.968 5.700 30 10 IKEE CCCSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1cccs1 1874206892 ZENYQZVMOVTKIV-KEBDBYFISA-N 427.382 5.610 30 10 IKEE C=CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1cccc(C)c1 1874217788 JZVHKCJQZXBDGP-ZMOGYAJESA-N 426.973 5.596 30 10 IKEE C=C(C)CSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1sccc1C 1874225720 ZGJQRBVHEHOYSL-ZVHZXABRSA-N 440.638 5.827 30 10 IKEE C=CCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1cccc2ccccc12 1874279659 OGXPOFYXCUPUIH-YZSQISJMSA-N 432.980 6.030 30 10 IKEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874284809 ZKCYRZKEXFXLJU-YZSQISJMSA-N 439.028 6.175 30 10 IKEE CCCCC1CCC(c2nnc(SCC(N)=O)n2/N=C/c2ccc(C(C)C)cc2)CC1 1874285090 OLTLEJFJSSYJQF-CVKSISIWSA-N 441.645 5.325 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc(OC)c2)n1/N=C/c1cn(C)c2ccccc12 1874310248 MCBFBVUNCKZPBC-CVKSISIWSA-N 445.592 5.114 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccccc2)cc1 1874348898 JGVMOKOHKRNVHQ-WGOQTCKBSA-N 432.524 5.191 30 10 IKEE COc1ccccc1/C=N/n1c(Cc2ccccc2F)nnc1SCc1ccc(C)cc1 1874373263 KTAFEDINPLEGFF-JVWAILMASA-N 446.551 5.500 30 10 IKEE CCCOc1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SCC)cc1OCC 1874375463 XZARUEZGUXKOJE-PCLIKHOPSA-N 442.560 5.190 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3Cl)n2/N=C/c2cccs2)cc1 1874389522 RDOZAIIRAIHEKQ-ZVHZXABRSA-N 439.009 6.067 30 10 IKEE CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1ccc(OCc2ccccc2C)cc1 1874391388 FPQNYILFVKNEHL-KKMLCIJBSA-N 442.588 5.921 30 10 IKEE Cc1ccccc1CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1cccc(F)c1 1874392614 QALBVYYGUMUGEP-BWJYWGHISA-N 430.552 6.052 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccccc1O 1874480016 DPLDTKJIBUBEMR-FSJBWODESA-N 435.380 5.808 30 10 IKEE CCCOc1ccccc1/C=N/n1c(CCC)nnc1SCc1c(F)cccc1Cl 1874509751 SQQCCOHKZDOAJR-AFUMVMLFSA-N 446.979 5.986 30 10 IKEE CCc1nnc(SCc2cccc(F)c2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874524476 PVQGQOSJNATQRK-JVWAILMASA-N 446.551 5.733 30 10 IKEE COc1cccc(/C=N/n2c(S)nnc2CC(C)(C)C)c1OCc1cccc(Cl)c1 1874560102 GOMJAJKZFHTHKS-ZMOGYAJESA-N 444.988 5.279 30 10 IKEE Fc1cccc(Cl)c1/C=N/n1c(S)nnc1COc1cc(Cl)ccc1Cl 1874569717 DVYKZXNPCYLBMP-QPSGOUHRSA-N 431.707 5.127 30 10 IKEE O=C(/C=C/c1ccccc1OCc1cccc(Cl)c1)c1ccc(Br)cc1 1874574581 UIKPAGXXQFXPKJ-JLHYYAGUSA-N 427.725 6.578 30 10 IKEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1cccc(Cl)c1)Nc1ccccc1F 1874577364 KLBXXPWYEVZMPT-CSKARUKUSA-N 444.289 6.046 30 10 IKEE CCN(CC)C(=O)COc1c(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)cc1OC 1874578861 KLDJPERTXMEVAE-PKNBQFBNSA-N 429.944 5.109 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1)NCc1ccccc1 1874601369 IALNGFWPJBURGG-DEDYPNTBSA-N 447.534 5.945 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)c1 1874605612 WPWNMHDUKZTYHW-VZUCSPMQSA-N 439.870 5.401 30 10 IKEE C=C(C)COc1c(Br)cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc1OCC 1874606834 IYGRKVHKNPRJJY-VQHVLOKHSA-N 445.353 6.016 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c([N+](=O)[O-])c2)cc1 1874616409 YHTIPKCYXKXHBQ-XYOKQWHBSA-N 430.460 5.125 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Cl)c1OCc1ccc(F)cc1 1874620431 ZZWLGLRXCWKIJM-IZZDOVSWSA-N 442.889 6.800 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OCc1ccccc1Cl 1874625323 XOLBKOFSTOAUII-KPKJPENVSA-N 426.871 5.971 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OCC(=O)OCC(C)C 1874628971 GHRPFKJYNBGXFY-PKNBQFBNSA-N 438.564 5.793 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)ccc1OCc1ccccc1F 1874638663 LSCCKSUSIMFABC-SDNWHVSQSA-N 442.486 6.471 30 10 IKEE CCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(C)c(C)c1 1874681019 OFFGMOQFDIKJMZ-SANMLTNESA-N 447.623 6.201 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3ccccc3Cl)ccc2OC)cc1 1874697324 SHRDPGJSGQNGGM-RIYZIHGNSA-N 436.891 5.863 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1)c1ccc(F)cc1F 1874699758 LRKILNODXZZGJI-RUDMXATFSA-N 443.789 5.642 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OC(=O)COc1ccc(Cl)cc1 1874702816 LDSRMMUQBYDLMY-WLRTZDKTSA-N 436.891 5.538 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc(OC)c3)cc2Cl)c1 1875102372 RYCKNEJMAOYESZ-ZRDIBKRKSA-N 436.891 5.863 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(CC)cc2)cc1OC 1875103960 YWPGKBDPJJBWNC-NTCAYCPXSA-N 428.956 6.683 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccnc3)c([N+](=O)[O-])c2)cc1 1875106303 LWQBSFDFJKRLGE-UKTHLTGXSA-N 430.460 5.448 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Br)cc2)cc(Cl)c1OC(=O)C(C)C 1875109000 RGBFCHMPNNQNPY-RUDMXATFSA-N 437.717 5.569 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC(=O)c1ccc(C)cc1 1875116550 HIXLBJOHKROFIH-AWNIVKPZSA-N 447.443 5.036 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc4ccccc4n3C)c(Cl)c2)cc1 1875133131 GHJRHYDGLXHMEK-UKTHLTGXSA-N 429.903 6.255 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2OC)cc1OC 1875136298 IIOYQQIROGHBLM-KPKJPENVSA-N 446.499 5.065 30 10 IKEE CCCCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccc(C)cc2)cc1OC 1875136786 JXYKAOHZZSKINS-FMIVXFBMSA-N 431.326 5.758 30 10 IKEE CSCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1Cl 1875148118 BIINFWSMOYUFKK-NTUHNPAUSA-N 430.997 6.582 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OC(=O)CC(C)(C)C 1875170323 RHHVMCFYTQUCAC-OUKQBFOZSA-N 448.603 6.895 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3C)c(Br)c2)cc1C 1875175320 JOYIVTDMMSNGCG-FMIVXFBMSA-N 449.344 6.490 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)CC1CCCCC1 1875183651 MFRZMMUYVAKNGH-ACCUITESSA-N 434.576 6.782 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3)c(OC)c2)cc1Cl 1875186494 YIJAHPHPQQWCNV-DHZHZOJOSA-N 436.891 5.401 30 10 IKEE Cc1cncc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(Cl)ccc3Cl)cc2Cl)c1 1875189182 CFEPKILBLWBNOT-QHHAFSJGSA-N 446.717 6.466 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc(OC)c1OC(=O)C1CC1 1875190125 HALIQSYYTJAOQZ-XYOKQWHBSA-N 432.472 5.077 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc(OC)c1OC(=O)c1ccco1 1875191658 XQMQNIMIBNKJIV-VMPITWQZSA-N 447.270 5.719 30 10 IKEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)Nc3cccc(-c4ccc(OC)cc4)c3)n[nH]2)c1C 1890919507 HVFHHFUYFAXLTM-UHFFFAOYSA-N 441.535 5.394 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@]1(CCC)CCCN1C(=O)OC(C)(C)C 1922077166 LHIMWLLDTSZRMV-BVAGGSTKSA-N 430.633 5.697 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@@]1(C#N)CN(Cc2ccccc2)C(C)(C)C1 1949245825 AZCRRPPPYWDZCI-VWLOTQADSA-N 439.987 6.028 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(CC2CC2)C(=O)OC(C)(C)C)C[C@@H]1C1CCC1 2018419916 MXOFATBBGQJZLQ-NTKDMRAZSA-N 433.593 5.095 30 10 IKEE C=CCN(C[C@@H](NCC)c1ccc(Cl)c(Br)c1F)C(=O)OC(C)(C)C 2035956971 ZUFIJLVNJSOHIE-CQSZACIVSA-N 435.765 5.315 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@]12CCCC[C@H]1N(C(=O)OC(C)(C)C)CCC2 2046612921 XDISHNLUXLGFPG-ONBPZOJHSA-N 442.644 5.697 30 10 IKEE N#CC1(c2ccccc2)CC(=Cc2ccc(Cl)cc2)C(=O)C(=Cc2ccc(Cl)cc2)C1 2053622440 YSGMUAQEMWZWRI-UHFFFAOYSA-N 444.361 7.285 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)c(Cl)c1F 2063092641 NQHCZJWSNPGFNT-XJKSGUPXSA-N 435.765 5.362 30 10 IKEE CC#CCCCC[C@H](NCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2075371524 YTSQAALFJDEBIN-DEOSSOPVSA-N 441.660 5.108 30 10 IKEE Cc1ccc([C@@H](n2nc(C3CCC3)c(C#N)c2I)C2(C)CC2)c(F)c1 2079078083 KDKOLMQNZCSKII-GOSISDBHSA-N 449.311 5.464 30 10 IKEE CC(C)[C@H](c1ccc(C2CCC2)cc1)n1nc(C2(C)CC2)c(C=NO)c1Br 2079980992 MDZNDGCBVWPYEY-LJQANCHMSA-N 430.390 6.018 30 10 IKEE C=CCCCCCCCCCC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2086262085 RXVLGAVIUSCCIK-RDGATRHJSA-N 445.644 6.751 30 10 IKEE C=CCN(C[C@@H](Cc1ccc(Cl)cc1Br)NCCC)C(=O)OC(C)(C)C 2088509508 JLMRREKSBLYCIA-QGZVFWFLSA-N 445.829 5.436 30 10 IKEE CCC[C@]1(C)CSC(=Nc2ccc(Cl)c(I)c2Cl)N1 2093948563 OAVSDUGDTBLORQ-CYBMUJFWSA-N 429.154 5.481 30 10 IKEE CCCCCCC[C@H](NCC)[C@H](O)c1cc(Br)c(Br)s1 2148579767 TVXCUTPALWXGML-JSGCOSHPSA-N 427.246 5.645 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@]2(C#N)Nc2cccc(Br)c2)C1 2156250025 FBSVDBCRJATUJR-LEWJYISDSA-N 434.378 5.325 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(CCNc2cc(Br)cc(F)c2C#N)cc1 2163709240 SVUKIQASGMKJNS-UHFFFAOYSA-N 434.309 5.461 30 10 IKEE C#C[C@H](NC(=O)c1cc(NC(=O)OC(C)(C)C)c(C)cc1Br)C1CCCC1 2203854306 GJDMJKJGAWHRAD-KRWDZBQOSA-N 435.362 5.026 30 10 IKEE N[C@H](C#Cc1ccccc1Br)c1cccc(Br)c1Br 2227474971 TWZYSIZZIGFEJV-CQSZACIVSA-N 443.964 5.026 30 10 IKEE CC(C)(C)OC(=O)NCCC1(C(=O)C#Cc2ccccc2Br)CCCCC1 2235731706 XGSAASBOEZDXAS-UHFFFAOYSA-N 434.374 5.235 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)Cc2ccccc2)s1 2241476025 KEMYAUCPJZQWMX-UHFFFAOYSA-N 447.409 5.198 30 10 IKEE Cc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)CC(C)(C)C 2270448213 SPCPZUQXHOTYGV-UHFFFAOYSA-N 439.380 5.122 30 10 IKEE C=C(C)CCCC[C@H](NCC)[C@H](O)c1cc(Br)c(Br)s1 2287388369 RGFCSQQXHOXVGO-JSGCOSHPSA-N 425.230 5.421 30 10 IKEE COc1cc(C=C2SC(=Nc3ccccc3)N(c3ccccc3)C2=O)ccc1OCC#N 2295146367 VRTXUZWVUALUEM-UHFFFAOYSA-N 441.512 5.406 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)c1sccc1CNC(=O)OC(C)(C)C 2296284180 OBLHXJZKFOQNPT-GOSISDBHSA-N 449.414 5.238 30 10 IKEE Cc1ccc([C@H](N)C#Cc2ccc(Br)cc2)c(NC(=O)OC(C)(C)C)c1C 2296297185 WHYHDNKRANLTKU-LJQANCHMSA-N 429.358 5.464 30 10 IKEE CCC[C@@H](CCNC(=O)OC(C)(C)C)CC[C@H](N)C#Cc1ccc(Br)cc1 2296304255 FDFROFWSHYZUOP-XLIONFOSSA-N 437.422 5.239 30 10 IKEE CN1C(=O)C(=Cc2ccc(-c3cccc(Cl)c3)o2)SC1=Nc1ccc(C(=O)O)cc1 2297461555 FZCNCOBZPHSVAO-UHFFFAOYSA-N 438.892 5.532 30 10 IKEE O=C1C(=Cc2cccc(Br)c2)SC(=Nc2ccccc2)N1c1ccccc1 2313532266 CLYDAFHGZPCBHM-UHFFFAOYSA-N 435.346 6.258 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(OC(=O)c3ccc(Br)cc3)cc2)c1 2314429518 IWEORXLWHUSXMZ-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(Cl)c2Cl)C3=O)cc1 2314437290 IHLBENMHIAJTRP-UHFFFAOYSA-N 441.266 5.837 30 10 IKEE C[C@@H]1CCc2c(sc(NC(=O)C=Cc3ccc(OCc4ccccc4)cc3)c2C#N)C1 2314734974 LINCDTKRWVCFPQ-GOSISDBHSA-N 428.557 5.975 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CC2)c1 2320872005 LGMJPIHCNWJNDY-UHFFFAOYSA-N 428.561 5.882 30 10 IKEE C=C(C)CSc1nnc(C)n1N=Cc1ccc(OCc2ccccc2C)c(OCC)c1 2321143573 WNUKFJXCCNKCFK-UHFFFAOYSA-N 436.581 5.423 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCc4ccccc4Cl)c3C)C2=O)c(OC)c1 2321761205 YYJARTCWPJQPOV-UHFFFAOYSA-N 436.891 5.861 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(OCc4ccc(C(=O)OC)cc4)c3C)C2=O)cc1 2321856637 WZSINOSWVUJTKD-UHFFFAOYSA-N 444.483 5.376 30 10 IKEE Sc1nnc([C@@H]2CCCO2)n1N=Cc1c(OCc2ccccc2)ccc2ccccc12 2321935499 RHFSPKRKDZRTKG-QFIPXVFZSA-N 430.533 5.033 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(C(C)C)cc1)O3)CN(Cc1ccccc1F)CO2 2322056914 NQNNGQHITJXQJP-UHFFFAOYSA-N 443.518 6.226 30 10 IKEE C[C@H](c1ccc2c(c1)CCCC2)N1COc2ccc3c(c2C1)OC(=Cc1cccs1)C3=O 2322256133 MBQIGJJRWPUBSG-QGZVFWFLSA-N 443.568 6.156 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2c(C)cccc2C)cc1C 2322408302 LMAXXYARFBRACY-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE CCCCCCCCN1COc2c(cc3c(c2C)OC(=Cc2ccc(N(C)C)cc2)C3=O)C1 2322415531 GUADYKYZIJGVRW-UHFFFAOYSA-N 448.607 6.190 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCc2ccccc2F)cc1C 2322415746 LESBUGNTEGECOG-UHFFFAOYSA-N 440.898 6.280 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(Cl)cc2)c1OCc1c(F)cccc1Cl 2322542331 ZYBGDKPGUDECAE-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccccc2)c1OCC(=O)Nc1ccccc1C 2322545802 ZFVFIIOMFKPFCK-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(OC(=O)c4cccc(OC)c4)c3C)C2=O)cc1 2322724554 XGBWPCFEVOIYJP-UHFFFAOYSA-N 430.456 5.238 30 10 IKEE Cc1cccc(COc2ccc3ccccc3c2C=CC(=O)c2c(C)c(C)cc(C)c2C)c1 2322842611 RINMZGLNQWNENF-UHFFFAOYSA-N 434.579 7.857 30 10 IKEE C=C(C)COc1ccc(Br)cc1C=CC(=O)c1cc(OCC)ccc1OCC 2322860366 QMTVIUSHKXVSBZ-UHFFFAOYSA-N 445.353 6.098 30 10 IKEE Cc1cc(OC(=O)c2cccc(Cl)c2)cc2c1C(=O)C(=Cc1cn(C)c3ccccc13)O2 2322910804 HXDWVYNKNXIOGP-UHFFFAOYSA-N 443.886 5.976 30 10 IKEE C=C(C)COc1c(OC)ccc(C=CC(=O)c2c(C)cc(C)cc2C)c1Br 2323302552 VEXPRVPYIDGYCH-UHFFFAOYSA-N 429.354 6.234 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2323627142 MEVDIZLURPUTJT-UHFFFAOYSA-N 434.831 5.101 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)c(C)c1 2323854590 YLBOEMJOSYQMLJ-UHFFFAOYSA-N 445.773 7.739 30 10 IKEE CCCOc1c(Br)cc(C=CC(=O)c2ccc3c(c2)OCO3)cc1OCC 2324097606 FUSHXOFSCHXDOA-UHFFFAOYSA-N 433.298 5.261 30 10 IKEE CC(C)(C)c1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3cccc([N+](=O)[O-])c3)n2)cc1 2324611568 IZUHIEMUCOIXSP-HXUWFJFHSA-N 431.517 5.905 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCCOc4ccc(Cl)cc4)c3C)C2=O)cc1 2324665979 GKZQMGQFUBUCDA-UHFFFAOYSA-N 436.891 5.731 30 10 IKEE COc1ccc(C=C2Oc3cc(OCc4cc(C)c(C)cc4C)ccc3C2=O)c(OC)c1 2324762464 DFWCOWVHDKNEMK-UHFFFAOYSA-N 430.500 5.824 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)c(C)c1 2324882678 ISWVRAQYVPMQPU-UHFFFAOYSA-N 441.527 6.061 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4cccc(Cl)c4C)c3C)C2=O)cc1 2325055294 DCSSRYRJELZHQE-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1ccc2c(c1)OC(=Cc1cccc(OC)c1)C2=O 2325092585 SSNYCUKFBPUQOT-JOCHJYFZSA-N 438.520 5.592 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(Cl)cc2F)ccc2c1OC(=Cc1cccs1)C2=O 2325490552 DXWRMSWXTRAIPA-UHFFFAOYSA-N 443.883 5.483 30 10 IKEE CCCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(OCC)c(OCC)c1 2325549783 FFRMQQFBNHTSRP-UHFFFAOYSA-N 442.560 5.342 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3c(F)cccc3Cl)c2)c1 2325706736 PGZSWWNZJPSFJM-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2Cl)cc1OC(=O)c1ccccc1Cl 2325716886 ZPBLVYLHAVSSDJ-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)CCc3ccccc3C)c2)c(C)c1C 2325755705 HOUYSCIJMFCUND-UHFFFAOYSA-N 428.528 6.055 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)COc3c(C)cccc3C)c2)c(C)c1 2325764935 UCUCZUNGMUNPOC-UHFFFAOYSA-N 428.528 6.109 30 10 IKEE C=CCSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1ccc(Cl)cc1 2325953622 XXAAQVGGRSFTMV-UHFFFAOYSA-N 447.789 5.445 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1N=Cc1cc(Cl)c(OC)c(OC)c1 2326380085 HMMFAMFJUBZYLS-UHFFFAOYSA-N 444.988 5.384 30 10 IKEE CCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(OC(C)(C)C)cc1 2326468042 HCLKWJBZVQTCCD-UHFFFAOYSA-N 428.989 5.846 30 10 IKEE CCCSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1cccc2ccccc12 2327210719 OEUOXXQYNUXETF-UHFFFAOYSA-N 444.604 6.136 30 10 IKEE CCCCOc1ccc(C=Nn2c(COc3ccccc3OC)nnc2SCC)cc1 2328276337 XZBQVDYXUPKPIO-UHFFFAOYSA-N 440.569 5.039 30 10 IKEE CCSc1nnc(COc2c(C)cccc2C)n1N=Cc1c(Cl)cccc1Cl 2328554910 DIIFMCOYCQRWIV-UHFFFAOYSA-N 435.380 5.775 30 10 IKEE CCCSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1cn(C)c2ccccc12 2328965115 PRGSGFSAWHNLEJ-UHFFFAOYSA-N 431.609 5.556 30 10 IKEE Cc1ccccc1CSc1nnc(COCc2ccccc2)n1N=Cc1cccc(O)c1 2329312308 GYEKBDHGJPGUNQ-UHFFFAOYSA-N 444.560 5.183 30 10 IKEE Fc1ccc(C=Nn2c(SCc3ccccc3)nnc2-c2ccccc2Cl)c(F)c1 2329575890 DGRXNPQSEJQJGY-UHFFFAOYSA-N 440.906 6.051 30 10 IKEE CN(C)c1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 2330462219 KAFMIJSEMXLOKZ-UHFFFAOYSA-N 445.567 5.249 30 10 IKEE CC(=Cc1cccc(Cl)c1)C(=O)N[C@@H](C(=O)Nc1cccc(C#N)c1)c1ccccc1 2330517800 UYTKCZDOMODJBX-HSZRJFAPSA-N 429.907 5.111 30 10 IKEE O=[N+]([O-])c1ccccc1C=Nn1c(SCCc2ccccc2)nnc1-c1cccs1 2330587749 QLHWQNXEHCOLMH-UHFFFAOYSA-N 435.534 5.132 30 10 IKEE CCCCCCC(=O)Oc1c(OC)cc(C=CC(=O)c2ccccc2Cl)cc1OC 2330911465 QBNGTQKVLUKPEN-UHFFFAOYSA-N 430.928 6.129 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)Cc1ccccc1F 2331076191 OGPNFISVTIQACX-UHFFFAOYSA-N 434.463 5.277 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cnccn3)cc2)cc1OCCC 2331109316 FTXKBUMZJDGTLR-UHFFFAOYSA-N 446.503 5.170 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCCC)nnc2C(F)(F)F)cc1OCC 2331149622 LFCGAYDRYKOVCH-UHFFFAOYSA-N 430.496 5.259 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccccc3OC)cc2)cc1 2331295671 PIVVMOSYDWWJSR-UHFFFAOYSA-N 446.499 5.365 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)c1ccc2c(c1)OCO2 2331331048 QWNNNRORXCSMHZ-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc(Cl)c2)n1N=Cc1cc(Cl)ccc1O 2331409141 YVMRPSLDPZQBDZ-UHFFFAOYSA-N 435.380 5.763 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)Cc1cccs1 2331421775 QKTBEVUZFJGXCQ-UHFFFAOYSA-N 448.584 6.489 30 10 IKEE CC(C)Cc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc2c(c1)OCCO2 2331470814 MYHYHPNDWZFILU-UHFFFAOYSA-N 442.972 5.076 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CC)c([N+](=O)[O-])c2)cc1 2331543594 RJWRIHILAVHRRW-UHFFFAOYSA-N 439.508 6.156 30 10 IKEE CC(C)c1nnc(SCc2ccccc2Cl)n1N=Cc1ccc2c(c1)OCCO2 2331702202 YSZBKIABCSSILD-UHFFFAOYSA-N 428.945 5.001 30 10 IKEE N#Cc1nc(-c2cccs2)oc1NN=Cc1ccccc1OCc1ccc(Cl)cc1 2331938294 ZBAQZJPSFZYKAU-UHFFFAOYSA-N 434.908 5.953 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(Nc2ccc(NC(=O)OC(C)(C)C)c(C)c2)n1 2337024456 DGSBSGAEXHMISM-UHFFFAOYSA-N 439.365 5.088 30 10 IKEE CSc1cc(Oc2cc(Br)cc(I)c2)ccc1C#N 2353831131 HVTIAYFIUBKWQQ-UHFFFAOYSA-N 446.107 5.440 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCC[C@]23C[C@H](CO2)[C@@H]31 2354170363 IGVNDXWENRCUHM-DETPAEQWSA-N 433.346 5.042 30 10 IKEE CN[C@H](C#CC1(OC)CCCC1)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2363606184 MWENJRVGWJUUDT-QGZVFWFLSA-N 437.378 5.019 30 10 IKEE CC1(C)C(=S)N(c2ccccc2)/C(=N/C23CC4CC(CC(C4)C2)C3)[C@H]1N1CCCCC1 15861668 BFXNDGFLRBLEOC-CMVRYFIUSA-N 435.681 6.082 30 10 IKEE CCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1cccc(OC)c1)C2 21226601 ITDHVNKHLITODG-WHLCRQNOSA-N 440.543 6.073 30 10 IKEE CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)c(Cl)c2)cc1 21229739 BPKKQCARDRVVHD-AEFFLSMTSA-N 442.386 6.295 30 10 IKEE COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2C)c1 21245137 YBRBBOXXURWBKL-XDBZFTIUSA-N 440.543 5.992 30 10 IKEE Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)CCC[C@H]5[C@H]4CC[C@@H]3C2)cc1 32106722 DJKUHJBPRWSFHW-LDFHOUIXSA-N 430.654 6.502 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCc4ccc(Br)cc4)ccc3C2=O)cc1 33364879 JYQKWFAGZARHFE-QRVIBDJDSA-N 435.317 6.207 30 10 IKEE O=C(/C=C\c1ccc2ncccc2c1)c1c(-c2ccccc2)c2cc([N+](=O)[O-])ccc2[nH]c1=O 33410790 FUCSAZATLAVQMN-LCYFTJDESA-N 447.450 5.548 30 10 IKEE CCCOc1c(Cl)cc(C(=O)c2c(C)c(C#N)c(=O)n([C@H](C)CC)c2O)cc1Cl 38617409 HALHTLWWLDSESX-LLVKDONJSA-N 437.323 5.032 30 10 IKEE C=CCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2[C@H]1c1cccc(Oc2ccccc2)c1 39910770 AKUBOPCPFWUTGO-XMMPIXPASA-N 437.495 5.933 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1cccc(OCCC)c1 40085445 GTGLSOGBMCUDLE-HSZRJFAPSA-N 437.536 5.171 30 10 IKEE N#Cc1nc(-c2ccccc2[N+](=O)[O-])oc1NC[C@H](c1ccc(Cl)cc1)N1CCCC1 40373985 RUJGWJVJVJUKGI-HXUWFJFHSA-N 437.887 5.024 30 10 IKEE C[C@H](N/C(=N\OC(=O)Nc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1)c1ccccc1 59382693 RSTAOEQVYOXTLD-HNNXBMFYSA-N 438.871 5.509 30 10 IKEE CCN(CC)c1ccc(/C=N/c2ccc3nc(SCc4ccccc4)sc3c2)cc1 59387228 ZPBNNQBKHMYXGY-YZSQISJMSA-N 431.630 7.185 30 10 IKEE CC1=NN(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)/C1=N/Nc1c(C)cc(C)cc1C 59461762 MMZHXLJIPBJNOI-LHLOQNFPSA-N 437.956 5.579 30 10 IKEE Cc1ccc(/N=C/c2ccc(SCC(=O)c3ccc([N+](=O)[O-])cc3)c([N+](=O)[O-])c2)cc1 59498933 GNVWMYQZDTVSIL-YDZHTSKRSA-N 435.461 5.537 30 10 IKEE CCCCCCCCCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(C)cc2)c1 98021542 FHPSOKBBPOOFQB-SANMLTNESA-N 438.637 6.853 30 10 IKEE CCCCCCCOc1cccc(NC(=O)COc2ccc(C)cc2Br)c1 100246102 BRPISDWQIPVVMK-UHFFFAOYSA-N 434.374 6.124 30 10 IKEE CCCCCCCOc1cccc(NC(=S)NC(=O)c2ccc(OCCOC)cc2)c1 100246802 FQWZYYUEORMBRR-UHFFFAOYSA-N 444.597 5.188 30 10 IKEE O=C1/C(=C/c2cccc(Cl)c2)S/C(=N/c2ccncc2Cl)N1c1ccccc1 101127672 GUVYFYPSLBPKNH-AVIKPBSTSA-N 426.328 6.197 30 10 IKEE O=C1/C(=C/C=C/c2ccccc2[N+](=O)[O-])S/C(=N/c2nccs2)N1c1ccccc1 101128678 NQCINMDHEBSMJH-VDBCIDTLSA-N 434.502 5.416 30 10 IKEE CCCCCCCOc1ccc2c(c1)c(C(=O)OCC)c(C)n2-c1ccc(OCC)cc1 101876705 HLHPDTMBJLTLDM-UHFFFAOYSA-N 437.580 6.864 30 10 IKEE Cc1nn(-c2nc(-c3ccc(Cl)cc3)cs2)c(O)c1[C@H](c1ccccc1)C(C#N)C#N 105572998 RUXMLWBBYIQNAM-OAQYLSRUSA-N 445.935 5.458 30 10 IKEE CCCCCCCCCCC[C@H](O)c1cc(Br)sc1Br 115859947 KPKLQRFYBMTCNZ-AWEZNQCLSA-N 426.258 7.227 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\Nc2nc(C(C)C)cc(=O)[nH]2)c(Cl)c1 169896469 QPYXQWNRERAWGW-XYGWBWBKSA-N 432.996 6.122 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1ccccc1OC 169941821 PHNPXGTTWPXQLX-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccc(Cl)cc2)c1 169969789 CDHBPXUKCPZIKN-QFIPXVFZSA-N 435.882 5.879 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2cccc(C)c2)c1 169971321 UBVFBSNRWTYTGD-JOCHJYFZSA-N 435.426 5.065 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2cc(F)ccc2F)c1 169971871 MNRMWWWYQZAOGQ-LJQANCHMSA-N 440.471 5.129 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2OC)[C@H]1c1ccc(OC(C)C)cc1 169978670 QSPPTSHDUKTTJG-HSZRJFAPSA-N 437.536 5.251 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccccc2C)c1 170086394 DUDIHJUAWCQCDC-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(CC)cc3)[C@H]2c2ccccc2C)cc1 170089125 WENHASYPJSIOLH-RUZDIDTESA-N 441.527 5.739 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccc(C)o2)c1 170099429 CSMAQYUVHAXWFC-HSZRJFAPSA-N 442.471 5.251 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2Cc2ccco2)c1 170119030 OSZSDOZXRFUHLO-XMMPIXPASA-N 439.467 5.220 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1C1CCCC1 170126035 LULUOSYPJBNAEV-XMMPIXPASA-N 427.500 5.369 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccccc1OC(C)C 170151014 AUANQUCLCHMAHP-XDHUDOTRSA-N 449.547 5.176 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccccn1)c1cccc2ccccc12 170182440 RATOLTVFVBJDPU-XMMPIXPASA-N 438.458 5.152 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccccc2)c1 170225628 HBGDGVXNFVRCEQ-BVZFJXPGSA-N 439.511 5.410 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(C(C)C)cc1 170244696 MPNUGCLMFAJNLC-VWLOTQADSA-N 447.575 5.304 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccc(O)c1 170260696 HRRZMKSBTBWGNA-QHCPKHFHSA-N 445.515 5.370 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccccc2OC(C)(C)C)c1 170458069 GAAYQYUKYAZBHX-QHCPKHFHSA-N 445.515 5.544 30 10 IKEE COc1ccc(/C=C2\C[C@@H]3[C@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cc1OC 253566419 IXKJEQQDDXKZRU-PCNLDHIOSA-N 436.592 5.590 30 10 IKEE COC(=O)/C=C1/SC(=Nc2ccc(C)c(Cl)c2)N(c2ccc(C)c(Cl)c2)C1=O 254557798 BSOGMLWCQDXFAZ-ZZYMSUEGSA-N 435.332 5.435 30 10 IKEE O=C(ON=Cc1c(F)cccc1Cl)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 254712384 COJVDNDPUVWPDH-UHFFFAOYSA-N 446.187 5.528 30 10 IKEE COc1ccc(-c2nc3cc(C)ccc3o2)cc1N=Cc1cc([N+](=O)[O-])cc(OC)c1O 254841406 RJMBIMNAZZNGPD-UHFFFAOYSA-N 433.420 5.185 30 10 IKEE CCCCCCOc1ccccc1C(=O)/C=N\n1cnnc1SCc1ccc(C)cc1 526803826 PMAYWDLQEWQCLR-QQXSKIMKSA-N 436.581 5.555 30 10 IKEE Cc1cccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2cccc(Cl)c2)c1 526813193 YQGXDAFIQGFNJN-PKAZHMFMSA-N 447.007 6.200 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1cccc(Cl)c1 526815483 YKYKLCXDDRKGFR-KSEXSDGBSA-N 439.799 6.365 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)NC2CCN(C(=O)N3CCCC[C@H]3CC)CC2)c1 585955121 PEMPUDQBNDDPLD-HSZRJFAPSA-N 440.632 5.103 30 10 IKEE N#Cc1cccc(CN(c2cccc(F)c2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 586240554 FDMCYPKCDOLNQC-UHFFFAOYSA-N 435.307 5.400 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Br)c(F)c1F 689628847 RYPLEBZJXSBLFE-YOEHRIQHSA-N 433.337 5.237 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2cc(F)cc(Br)c2)c1 698484683 JAELQSSCRMZVTP-SFHVURJKSA-N 435.293 5.603 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 699658290 JWLWPPWSRVBWEV-MZNJEOGPSA-N 447.551 5.497 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CC[C@H](CNC(=O)OC(C)(C)C)C1 724066225 AMNVSFLVMBEGKV-XDHUDOTRSA-N 445.560 5.024 30 10 IKEE CN1C(=O)C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)SC1=Nc1ccc(Cl)cc1 1084293944 NEFIJKJCXJBNCO-OAHLLOKOSA-N 442.755 5.237 30 10 IKEE CCOc1ccc(/C=C2/SC(=Nc3nc(C)cs3)N(C3CCCCC3)C2=O)cc1 1772737969 MVGQRKQWDYQVTC-HOMYTQLHSA-N 427.595 5.787 30 10 IKEE CCCCCCn1c(O)c(N=Nc2ccccc2C(=O)c2ccccc2)c(C)c(C#N)c1=O 1772741396 KGVQAJAFIYATDR-UHFFFAOYSA-N 442.519 5.961 30 10 IKEE CC(C)(C)c1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)cc2/C=N\NC(N)=S)cc1 1857806761 IQHRKXOEWPBJKT-GATIEOLUSA-N 446.407 5.311 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)/C=C/c1ccc(Cl)cc1)[C@@H](C)CC 1861107280 UJFMQIXNNWEZCN-KTXLOSPWSA-N 435.052 6.141 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)/C=C/c1ccc2c(c1)OCCO2 1861567274 AFIYZMUUXPDMSG-FDGLKFFFSA-N 444.616 5.013 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(Cl)cc1Cl 1862443273 KSHBNKRLNVLFEX-SFHVURJKSA-N 438.738 6.025 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(Br)cc1 1862452999 OSHYOEHKTXJMCC-XIKOKIGWSA-N 448.744 5.479 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2c(Cl)cccc2Cl)cc1 1862521985 WFSUBPJJQDAWGX-HXUWFJFHSA-N 448.346 5.769 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2ccccc2F)cc1 1862530826 YPVGTXSNQKBHFY-DEOSSOPVSA-N 429.491 5.475 30 10 IKEE COc1cc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCC(C)C)ccc1O 1862654214 XUCRDBPQWCUYKM-DEOSSOPVSA-N 445.515 5.178 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862660157 JFVYUSHBWZENCR-SANMLTNESA-N 445.603 6.810 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CCCCC2)c1 1862664535 LEVUKRPXNPAJNZ-VWLOTQADSA-N 447.575 6.120 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc3c(c2)OCCO3)cc1 1862666361 BSJAWSCVXAISNQ-XMMPIXPASA-N 447.531 5.102 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc(Cl)c2)cc1 1862688753 AAXKJGLNEVEUPC-OAQYLSRUSA-N 425.912 5.260 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc3ccccc23)cc1 1862692229 HMUJEVNICFTZKE-VWLOTQADSA-N 441.527 5.759 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)c1 1862737029 RGHNANMKIJCHLJ-QGCDCVKKSA-N 434.492 5.060 30 10 IKEE Cc1cc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccccc3F)C2=O)ccc1C(C)C 1862930005 QXPVULLWVZGMJC-UHFFFAOYSA-N 439.490 5.526 30 10 IKEE N#Cc1ccc(N2C(=O)C(Nc3ccc(Cl)cc3)=C(c3c[nH]c4ccccc34)C2=O)cc1 1863129491 KYSINMZRXLNUQO-UHFFFAOYSA-N 438.874 5.090 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)/C=C/c2cccc(Br)c2)c1 1866124398 ANUZZHTWZPTPST-PKNBQFBNSA-N 445.316 5.512 30 10 IKEE C=CCN(CC=C)c1cc(N2CCN(C(C)C)c3ccccc32)nc(-c2ccccc2)n1 1869202772 QNNIYHAZUVCFFT-UHFFFAOYSA-N 425.580 5.689 30 10 IKEE N#Cc1nnn(-c2ccc(Nc3ccccc3)cc2)c1NC(=O)c1ccc(Cl)cc1Cl 1870148106 VWBZBMGOVOZUIY-UHFFFAOYSA-N 449.301 5.442 30 10 IKEE C=CCn1cc(OCc2ccc(OC)c(F)c2)c(=O)cc1CNc1ccc(C(C)C)cc1 1870806622 RRWVVHWMSAAMJA-UHFFFAOYSA-N 436.527 5.497 30 10 IKEE CCCCCCCOc1cn(CCCOC)c(CNc2ccc(C)c(Cl)c2)cc1=O 1870830208 ICSOQSYNWZQXIA-UHFFFAOYSA-N 435.008 5.808 30 10 IKEE CCCCCCCOc1cn(Cc2ccco2)c(CNc2cccc(Cl)c2)cc1=O 1870836733 SJUYSHICSJFDHI-UHFFFAOYSA-N 428.960 6.104 30 10 IKEE C#CCOc1cn(CCC2=CCCCC2)c(CNc2ccc(OC)c(Cl)c2)cc1=O 1871008885 SKIWVRMTLLYXKR-UHFFFAOYSA-N 426.944 5.025 30 10 IKEE C=CCn1cc(OCc2c(Cl)cccc2Cl)c(=O)cc1CNc1ccc(CC)cc1 1871049959 ZLFOZZWVRJHLLK-UHFFFAOYSA-N 443.374 6.095 30 10 IKEE CCCCCCCCCCn1cc(OCCC)c(=O)cc1CNc1ccc(OCC)cc1 1871105886 DWYWCXFCSPVMDO-UHFFFAOYSA-N 442.644 6.789 30 10 IKEE CCN(CC)CCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccccc1Cl)C3=O 1871348256 AMFYBAKCNTZTIC-HAHDFKILSA-N 440.971 5.230 30 10 IKEE CCCCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(OC)c(OC)c1)C3=O 1871352247 WVQVNDCUIZRTIB-UCQKPKSFSA-N 437.536 5.361 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc(F)cc4)cc(C)c3C2=O)cc1 1871365622 BFQBRQJJYFKRFJ-RQXPBMLRSA-N 430.431 5.378 30 10 IKEE Cc1cc(OC(=O)CCOc2ccccc2)cc2c1C(=O)/C(=C/c1ccccc1Cl)O2 1871384594 ZJTZDRVRBNFECK-HMAPJEAMSA-N 434.875 5.639 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OCCCOc4cccc(C)c4)c3C)C2=O)cc1 1871406396 UGKPEYKRLNZLGM-UQQQWYQISA-N 430.500 5.776 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871410630 GCXAIZTWEHSDDR-SGMWPGOQSA-N 447.918 5.925 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871411435 NMJFAUUNZLGLIW-PDESAOGPSA-N 445.490 5.719 30 10 IKEE CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2sccc2C)C3=O)c1 1871426515 QXMMXVCRTOLXGX-NXUSMQHESA-N 447.512 5.281 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCc4ccc(C(=O)OC(C)C)o4)cc(C)c3C2=O)cc1 1871438991 BWCKFVZZQIXZPJ-FMCGGJTJSA-N 432.472 5.657 30 10 IKEE CCOc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871452557 RXRXYTHZWDKWLV-QRVIBDJDSA-N 447.462 5.167 30 10 IKEE C=CCN(CC=C)c1nc(=NCCC2=CCCCC2)[nH]c(=Nc2ccccc2C(C)C)[nH]1 1871498876 UFIJOFNPJOHRIX-UHFFFAOYSA-N 432.616 5.063 30 10 IKEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1 1871840999 MFKVEMMTSCFYHZ-QFIPXVFZSA-N 449.016 5.448 30 10 IKEE CCc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(Br)cc3)n2)cc1 1872761225 ITMMAKBJPOVOBV-GOSISDBHSA-N 425.351 5.554 30 10 IKEE COc1ccc(Cl)cc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Br)cc2)cs1 1872765476 PPUOZRNMMKTKMG-OAHLLOKOSA-N 447.741 5.725 30 10 IKEE Cc1cc(-c2csc([C@@H](C#N)C(=O)COc3ccc(Cl)cc3Cl)n2)ccc1F 1872771813 CSIQYHDKCGSJNR-AWEZNQCLSA-N 435.307 5.820 30 10 IKEE C=CCN(CC=C)Cc1ccc(C(=O)Nc2ccc(I)cc2C)cc1 1872875037 YHQSNRIASUFYJA-UHFFFAOYSA-N 446.332 5.026 30 10 IKEE C=CCN1C(=O)C(NCc2cccc(Cl)c2)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873088767 RBTSZRXGVPFFNB-UHFFFAOYSA-N 428.919 5.063 30 10 IKEE CCOc1ccc(-c2nc(C3=C(N)N(CCCCc4ccccc4)CC3=O)sc2C)cc1 1873528338 SSWJAEVSTQSHCL-UHFFFAOYSA-N 447.604 5.052 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)n2CCCOC 1873613018 SWLRGVNCUJDDGX-UHFFFAOYSA-N 449.599 5.565 30 10 IKEE CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1cccc(OC)c1 1874217154 XQHFQRNWNCRDMY-FSJBWODESA-N 430.961 5.130 30 10 IKEE C=C(C)CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1cccc(Cl)c1 1874243812 XFOPPSTXJVANRM-VULFUBBASA-N 441.044 6.241 30 10 IKEE Cc1ccccc1CSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccc[nH]1 1874266083 FDOBLBOLJNCNFW-DHRITJCHSA-N 437.956 5.322 30 10 IKEE COc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2)cc1 1874292187 QZRVJEKJOIEDMK-PCLIKHOPSA-N 430.533 5.040 30 10 IKEE C=C(C)CSc1nnc(CCOc2ccccc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874346322 IXWLAGMTSWPPMB-YZSQISJMSA-N 434.609 5.748 30 10 IKEE CCCSc1nnc(CCc2ccccc2C)n1/N=C/c1ccc(Br)cc1 1874362341 ZRCIKFFIWUHWFU-HZHRSRAPSA-N 443.414 5.519 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccc(F)cc3)n2/N=C/c2ccc(O)cc2)c1 1874380169 ZRBXBTUDQPBWGV-JFLMPSFJSA-N 446.551 5.505 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@@H](C)c3ccccc3)n2/N=C/c2ccccc2F)c1 1874395311 JTKOFPCBAFFTKA-MEAKTTDOSA-N 444.579 6.360 30 10 IKEE COc1ccccc1/C=N/n1c(CCc2ccccc2)nnc1SCCc1ccccc1 1874403637 KFBYMELCNSTZBB-NHFJDJAPSA-N 442.588 5.289 30 10 IKEE Cc1cccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccccc2[N+](=O)[O-])c1 1874406612 NWWLVFZTWZKMRV-PCLIKHOPSA-N 449.580 5.792 30 10 IKEE COc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCCc2ccccc2)cc1 1874413245 JHWUVSVQCMNBHD-JJIBRWJFSA-N 434.590 5.156 30 10 IKEE Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1cccc(F)c1 1874426801 BDVOJYKVXNFQFV-CVKSISIWSA-N 445.523 5.006 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc(F)cc1F 1874440196 OAKXWHIGJBREGQ-BRJLIKDPSA-N 434.943 5.973 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccccc1OC 1874479019 DSIHXKPAILGNNB-YZSQISJMSA-N 430.577 5.957 30 10 IKEE CC(C)Cc1nnc(SCc2cccc(F)c2)n1/N=C/c1c(Cl)cccc1Cl 1874488204 PUIHQLCMEGVBSP-BHGWPJFGSA-N 437.371 6.097 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc(C(=O)O)cc1 1874510659 UCMWHALNWDVMFQ-FOKLQQMPSA-N 449.363 5.410 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1OCc1ccccc1F 1874579514 SCAWWLQJBSYSKJ-ZRDIBKRKSA-N 431.290 6.616 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc3c(c2)OCO3)c1OCCc1ccccc1 1874582787 HHHUMTZDBUATFF-VQHVLOKHSA-N 436.891 5.595 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccc(Cl)cc2)c1)c1ccc(Br)cc1 1874593437 JXMWLUNHJASFEE-AWNIVKPZSA-N 427.725 6.578 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2F)c(Cl)c1)c1ccc(Cl)cc1Cl 1874605713 BQVLWDDNSPHZLI-WEVVVXLNSA-N 435.709 7.261 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCc3c(Cl)cccc3Cl)c(Cl)c2)cc1 1874616051 IBBXYCKMURMUFY-YRNVUSSQSA-N 431.746 7.430 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OCC(=O)OCC(C)C 1874624919 CQERFKRIGIKLHT-BJMVGYQFSA-N 434.891 5.352 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Cl)c1OCc1ccccc1C 1874625956 FHSBRLCTHHOFJY-JXMROGBWSA-N 428.862 6.410 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1)Nc1ccccc1F 1874637869 WALWOCIDQIDWHR-KPKJPENVSA-N 444.289 6.046 30 10 IKEE CC(C)c1ccc(O[C@H](C)C(=O)Oc2cccc(/C=C/C(=O)c3cccc(Cl)c3)c2)cc1 1874699265 MQNGKSCZQQVATH-JVVYVMHDSA-N 448.946 6.732 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OC(=O)C(C)C 1874703941 ORUGDKJKQRVVHI-SOFGYWHQSA-N 435.289 5.363 30 10 IKEE CCc1ccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3cc(OC)ccc3OC)c2)cc1 1874706615 QMBYPPGYFAHMQO-NTCAYCPXSA-N 444.527 5.701 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2cccs2)CSc2nnc(C(F)(F)F)n21 1874920573 PYHOZIXROGIXMG-CYBMUJFWSA-N 432.537 5.421 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3cccc(OC)c3)c(OC)c2)cc1 1875100291 XVAVNPCXHWMEDT-SDNWHVSQSA-N 446.499 5.390 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)c(C)c3)c(OC)c2)c1 1875104381 UJYFUHZAOYUXJV-DHZHZOJOSA-N 434.463 5.196 30 10 IKEE COCCOCC(=O)Oc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1Cl 1875168795 UWFSIXYHWCXIAN-SOFGYWHQSA-N 430.928 5.038 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)c1ccccn1 1875176325 CGRHDMNPHABSHM-ACCUITESSA-N 427.500 5.551 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]([C@@](C)(C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 1877860952 NGVHLXNBRUQJJJ-WZOHSFFVSA-N 443.588 5.399 30 10 IKEE N#Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccc(Br)cc23)cc1 1890882910 KWCKOHJELLTEAQ-UHFFFAOYSA-N 428.289 5.788 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1cc(Br)ccc1Br 1922090374 YPJNLTUOZYQHJM-IBGZPJMESA-N 439.191 5.635 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CN(C(=O)OC(C)(C)C)CC(C)(C)C1 1922769544 ORILFGKTBWHWGV-VWLOTQADSA-N 443.588 5.666 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@]1(C#N)Nc1ccc(Br)cc1 1924920282 KJFDSPBSOOWVDA-YCRPNKLZSA-N 434.378 5.228 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)C[C@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1944373804 BGVNWDKUUVGAGN-YGKZAACZSA-N 449.617 5.413 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@]1(C#N)CC(C)(C)[C@H]1OCc1ccccc1 1950403682 SEFPVPQMUPAEEV-BWKNWUBXSA-N 440.971 6.359 30 10 IKEE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)c1ccc(C#N)c(Br)c1 1957283870 BDVRVUCNZLGZQA-UHFFFAOYSA-N 444.373 5.242 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](CSCCC)NC(=O)OC(C)(C)C 1975728422 KLSXNPDBVUHOKZ-FGZHOGPDSA-N 436.662 5.164 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C1(C)C 1987009353 KBSSXRYCVSNZMJ-ZHRRBRCNSA-N 435.590 5.071 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@](C#N)(N(Cc3cccs3)C(=O)OC(C)(C)C)C[C@H]2C1 1996796001 SZPKBGWWZXOOOL-GPVSGQMNSA-N 447.601 5.024 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1 2028028735 XFHVVQKTOHIJFE-YADARESESA-N 447.576 5.268 30 10 IKEE CCCCCCCC[C@@H](NC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2041903413 QJRJBWMKTZWAAQ-SHQCIBLASA-N 446.676 6.169 30 10 IKEE C=CCN(CC[C@@H](Cc1cc(Cl)cc(Br)c1)NC)C(=O)OC(C)(C)C 2047968722 UVIJNYMNAYJZKA-KRWDZBQOSA-N 431.802 5.046 30 10 IKEE C=C1CC(C[C@@H](NCCC)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)C1 2061657349 PJRFHQZWHMSRFE-SQHAQQRYSA-N 442.644 5.555 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)[C@H]1C(C)(C)C 2067838526 NDJANCDKYAEDIX-CLOONOSVSA-N 443.588 5.746 30 10 IKEE ON=Cc1c(C2CC2)nn([C@H](c2ccc(C(F)(F)F)cc2)C2CCC2)c1Br 2079856928 WTQCXDFSDNONMH-KRWDZBQOSA-N 442.279 5.739 30 10 IKEE C=CCCCCCCCCC[C@@H](N)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2086264926 YPUGRJMFUKZPDE-JWQCQUIFSA-N 446.676 6.511 30 10 IKEE C=C([C@H](NCCC)c1cc(I)ccc1Br)C(C)(C)C 2096625772 VGLCVTSHGSBVFZ-HNNXBMFYSA-N 436.175 5.697 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1c[nH]nc1C(F)(F)F 2154852906 SQKHCVQUJVPMNS-ZDUSSCGKSA-N 445.239 5.197 30 10 IKEE C=CCN(CC[C@@H](NCCC)c1c(F)ccc(Br)c1F)C(=O)OC(C)(C)C 2155521519 PMRSEJFSHAUNIJ-MRXNPFEDSA-N 447.364 5.581 30 10 IKEE CCC[C@H]1CCOCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2165348678 NVXIDSXIRJQABP-KKSFZXQISA-N 437.378 5.680 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)C[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1 2174480658 VUQJBFMGYSZAJO-NAIAOIPJSA-N 433.346 5.040 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)C[C@H]2CCC[C@@](F)(C2)C1 2175557812 YNTCFFNSKNYRLQ-RVHYNSKXSA-N 437.353 6.145 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@H](C#N)c1c(F)ccc(Br)c1F 2239743711 PLUCFQPRXSJXEP-OAHLLOKOSA-N 441.247 5.873 30 10 IKEE C=C(COCc1ccccc1)[C@](C)(O)c1cc(Br)c(Br)s1 2241450425 RCJJBOONTGSXLJ-INIZCTEOSA-N 432.177 5.254 30 10 IKEE Cc1c(Br)sc([C@@H](C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)c1C 2247208072 IOBSCOVDZVBQHY-SNVBAGLBSA-N 427.286 5.492 30 10 IKEE CC1(NC(=O)OCc2ccccc2)CCC(Nc2ccc(C#N)c(Br)c2)CC1 2258952862 HABAOLRHXOPVPU-UHFFFAOYSA-N 442.357 5.360 30 10 IKEE CC1(C)OB(c2c(F)cccc2C(=O)N(Cc2ccccc2)C2CCCCC2)OC1(C)C 2267407279 PXNCSDYXQUYXJM-UHFFFAOYSA-N 437.364 5.100 30 10 IKEE C=C(C)CCCC[C@H](NCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2271751201 VEKOLTJKMSSGAS-SFHVURJKSA-N 425.411 6.583 30 10 IKEE CC(C)(C)OC(=O)Nc1cc([C@@H](N)C#Cc2cccc(Br)c2)ccc1Cl 2278739109 DGFMBXIIANQSKA-KRWDZBQOSA-N 435.749 5.501 30 10 IKEE CC1(C)OB(c2csc(C(=O)Nc3cc(Cl)cc(Cl)c3)c2Cl)OC1(C)C 2281948754 ZZLVVWKXYSOVJP-UHFFFAOYSA-N 432.565 5.260 30 10 IKEE O[C@@H](C#Cc1ccccc1Br)c1c(Cl)cc(Br)cc1Cl 2283303324 ZYLIAXHXAUGNGS-AWEZNQCLSA-N 434.942 5.604 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@H]1Nc1c(Br)cccc1C#N 2285183726 DBAXLTAUZGNTIP-QAPCUYQASA-N 434.378 5.206 30 10 IKEE Cc1cccc(NC2=CC(=NS(=O)(=O)c3ccc(Cl)cc3)c3ccccc3C2=O)c1 2293201917 BBXRIIAIOYPUKD-UHFFFAOYSA-N 436.920 5.019 30 10 IKEE Cc1cc(-c2ccc(C=C3SC(=Nc4ccccc4Cl)NC3=O)o2)ccc1[N+](=O)[O-] 2294732815 WHWAPFYASGRGBF-UHFFFAOYSA-N 439.880 5.708 30 10 IKEE O=[N+]([O-])c1cccc(C=CC=Nc2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)c1 2295103084 PQMQLKQXFSQCGQ-UHFFFAOYSA-N 438.270 7.126 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)c1ccccc1NC(=O)OC(C)(C)C 2296274600 VGWSPMBSHRLUMK-LJQANCHMSA-N 429.358 5.498 30 10 IKEE Cc1ccc(N=C2SC(=C3C(=O)N(C)c4ccccc43)C(=O)N2c2ccc(C)cc2)cc1 2296977181 YWMICQGFRCHBFS-UHFFFAOYSA-N 439.540 5.459 30 10 IKEE Clc1cccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C2CC2)c1 2320867868 WPWWNXCVWZYXPW-UHFFFAOYSA-N 437.783 6.290 30 10 IKEE C=C(C)CSc1nnc(C)n1N=Cc1c(OCc2ccccc2)ccc2ccccc12 2321149732 VIXZLTXFJBWOGJ-UHFFFAOYSA-N 428.561 5.869 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(S)n1N=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 2321962049 CRXMRQVPIGCFJG-INIZCTEOSA-N 436.625 5.901 30 10 IKEE CCCCC[C@H](CC)N1COc2ccc3c(c2C1)OC(=Cc1ccc(C(C)(C)C)cc1)C3=O 2322071966 KPPNQFZKIFQPKS-QFIPXVFZSA-N 447.619 7.111 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc(OC)cc1 2322456939 XTLNGURFMKKYPC-UHFFFAOYSA-N 429.944 5.272 30 10 IKEE CC(C)COC(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccc(C(C)C)cc1 2322732939 WDOAJWGDAZCLEI-UHFFFAOYSA-N 430.544 6.437 30 10 IKEE Cc1ccccc1COc1ccc2ccccc2c1C=CC(=O)c1c(C)c(C)cc(C)c1C 2322842632 YYHDLBZMOJIVSP-UHFFFAOYSA-N 434.579 7.857 30 10 IKEE Cc1c(OC(=O)c2ccccc2[N+](=O)[O-])ccc2c1OC(=CC=Cc1ccccc1)C2=O 2323154130 YAFRUQOTNHJDDR-UHFFFAOYSA-N 427.412 5.295 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1 2323369595 GHOXCJIZHTWZIL-UHFFFAOYSA-N 430.460 5.125 30 10 IKEE CCCCCCCCCOc1ccc(NC(=O)C=Cc2cc(OC)ccc2OC)cc1 2323647940 HLBWWVJPJYPFRK-UHFFFAOYSA-N 425.569 6.485 30 10 IKEE Cc1cccc(COc2ccc(C=CC(=O)c3ccc(F)cc3F)cc2Br)c1 2323721042 HUSYTWFFWNRQCC-UHFFFAOYSA-N 443.287 6.511 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1OCC 2323768006 ZMQAQOSQSNHCDE-UHFFFAOYSA-N 443.971 5.662 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(Cl)c2)cc(OC)c1OCC(=O)OCCC 2323770429 TZECBTPZAAYZNU-UHFFFAOYSA-N 428.912 5.305 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc([N+](=O)[O-])c1OCc1ccc(Cl)cc1 2323813077 VWGQJGICKSSDCU-UHFFFAOYSA-N 437.879 6.122 30 10 IKEE CCOc1cc(C=NNc2nc(-c3ccccc3)c(C(=O)OC)s2)cc(Cl)c1OC 2323840559 RRBKVGMXRLMBSD-UHFFFAOYSA-N 445.928 5.103 30 10 IKEE Cc1cc(O)c(CN(C)Cc2ccccc2)c2c1C(=O)C(=Cc1ccc(C(C)C)cc1)O2 2324077628 SSSXKKWZTYRJHG-UHFFFAOYSA-N 427.544 6.072 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(C)c1C 2324293585 DOZZCFBMEKHHRB-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE CCOc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2)C3=O)cc1 2324521641 CORMOZFMLWXHPW-SFHVURJKSA-N 443.499 5.416 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)C=Cc2ccc([N+](=O)[O-])cc2)n1 2324797381 NONOARKEGWULIF-OAQYLSRUSA-N 445.544 6.214 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(Cl)cc3)n2)c2ccccc12 2324840866 MQOCOSNSSOBABT-OAQYLSRUSA-N 444.943 6.515 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1ccc2c(c1C)OC(=Cc1sccc1C)C2=O 2325008761 QYWBQCOAMGKVAM-UHFFFAOYSA-N 447.556 5.869 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc(OCC)cc1 2325571908 QVACLXMRVFFOSD-UHFFFAOYSA-N 449.407 6.111 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(C=CC(=O)c3ccc(CC)cc3)ccc2OC)c1 2325704817 CWYPMFFTHLTGHH-UHFFFAOYSA-N 430.500 5.772 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OC(=O)c1cccc([N+](=O)[O-])c1 2325735630 STJWBGLQUAAJLH-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1OC(=O)c1cncc(C)c1 2325736929 LUWYOAXRCHVYPZ-UHFFFAOYSA-N 442.298 5.821 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC)c(OC(=O)C(C)(C)C)c2)c1 2325757995 CKDKHGROERALQU-UHFFFAOYSA-N 426.509 5.340 30 10 IKEE CSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1ccccc1Cl 2325882615 KFGDKPFWZLNMBA-UHFFFAOYSA-N 436.968 5.700 30 10 IKEE CCCOc1ccccc1C=Nn1c(CCCOc2ccc(CC)cc2)nnc1SC 2326287418 FKRZNISNZQUXOX-UHFFFAOYSA-N 438.597 5.245 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2)n1N=Cc1ccc(OCCC)cc1 2328754162 KXKFQHLMRRSQJI-UHFFFAOYSA-N 436.581 5.239 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(O)cc1 2329473447 LIZDRBRDOORARD-UHFFFAOYSA-N 446.551 5.391 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccccc3Cl)n2N=Cc2ccccn2)c1 2329576923 PTOGEZJAIKREFO-UHFFFAOYSA-N 433.968 5.785 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2N=Cc2ccc(O)cc2)cc1 2330032712 UPXAAQMEEMDRJR-UHFFFAOYSA-N 448.979 5.711 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2cc(C)ccc2O)cc1 2330452269 RFRDSUFSQNWZIF-UHFFFAOYSA-N 428.561 5.366 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2ccccc2C)nnc1-c1cccs1 2330537497 UCIGOCMBOFVZIF-UHFFFAOYSA-N 448.617 6.278 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1OC(=O)C1CCC1 2330802266 VAJZEDOTYPQXRO-UHFFFAOYSA-N 439.722 6.257 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)c(C)c3)c(OC)c2)cc1C 2330880166 JNQRZAUDBOGQGO-UHFFFAOYSA-N 444.527 5.673 30 10 IKEE Cc1cccc(C)c1OCCCC(=O)Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1 2330910649 ICQWFWQJAZELQR-UHFFFAOYSA-N 448.946 6.618 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccccc3F)nnc2C2CCCC2)c(OC)c1 2331071708 FZPZXFNVUMWOEL-UHFFFAOYSA-N 440.544 5.267 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3F)cc2Cl)c1 2331087228 INUIYDZGSYXNEO-UHFFFAOYSA-N 440.873 6.279 30 10 IKEE FC(F)(F)c1nnc(SCc2ccc(Cl)cc2)n1N=Cc1c[nH]c2ccccc12 2331150412 CIGDAHSYORMVEU-UHFFFAOYSA-N 435.862 5.606 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OC(=O)COc1ccccc1 2331173974 UJEBKCOYFGXCEQ-UHFFFAOYSA-N 436.891 5.619 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2-c2ccco2)c1 2331222528 PKKMVKHHPQIEGH-UHFFFAOYSA-N 438.940 5.765 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(F)c2)cc(Cl)c1OC(=O)C1CCCC1 2331460489 IEFXCPMXMZPPTJ-UHFFFAOYSA-N 446.902 5.878 30 10 IKEE CCCCC(=O)Oc1c(OCC)cc(C=CC(=O)c2ccc(OC)c(F)c2)cc1[N+](=O)[O-] 2331461916 VUSCQCNOARHFEV-UHFFFAOYSA-N 445.443 5.133 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(-c3ccccc3)cc2)cc1)c1ccc(F)c(F)c1 2331554989 BRMSMZPLXBECKA-UHFFFAOYSA-N 440.445 6.747 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc3cc(Cl)ccc3n2)cc1)c1ccc(F)c(F)c1 2331555258 VUFNGZLGOGXSQS-UHFFFAOYSA-N 449.840 6.282 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccccc1OC(C)C 2331661536 BYNNRGVNZLLGOV-UHFFFAOYSA-N 428.989 5.846 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCC(=O)N[C@@H](C)c3ccccc3)nnc2C(C)C)cc1 2331709473 YCDXEHTXJASYHF-IBGZPJMESA-N 449.624 5.377 30 10 IKEE COc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C(C)C)cc1OC 2331715261 AQKFVJMMXKTWLM-UHFFFAOYSA-N 448.951 5.386 30 10 IKEE CC#CCN(C[C@@H](NCC)c1c(Cl)ccc(Br)c1F)C(=O)OC(C)(C)C 2337916808 VUVOFDXZBVOHHG-OAHLLOKOSA-N 447.776 5.153 30 10 IKEE C=C[C@@H](C)C[C@@H](Cc1ccc(I)c(Br)c1)NCCC 2349789699 ZGNAKPJLRATRGM-OCCSQVGLSA-N 436.175 5.177 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)ccc1OC 2364626130 WXVMLWVUKATVPQ-MJGOQNOKSA-N 441.410 5.358 30 10 IKEE CC1(C)OB(C=Cc2ccc(Nc3cc(Cl)ccc3Br)nc2)OC1(C)C 2365051057 XFEDZXRELWOWHZ-UHFFFAOYSA-N 435.558 5.886 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(C)cc(Br)c1OC 2365241374 OYTWVSDLLMPSTN-ZWKOTPCHSA-N 441.410 5.276 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CCC(=O)C#Cc2cccc(Br)c2)C1(C)C 2370078994 LGKFRSHREPHJPG-QFBILLFUSA-N 434.374 5.089 30 10 IKEE CC#CCN(C[C@H](NC)c1c(C)c(C)c(Br)c(C)c1C)C(=O)OC(C)(C)C 2375340533 XLHYXYVFDJQQEX-SFHVURJKSA-N 437.422 5.204 30 10 IKEE Cc1ccc([C@@H]2CC(=O)C3=C(C2)NC(Nc2nc4ccccc4o2)=N[C@@H]3c2ccccc2)cc1 1460150 WPCZZCNSNLXKQG-RXFWQSSRSA-N 448.526 5.649 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C/c2ccc(Cl)cc2Cl)C3=O)cc1 2329420 ICAZQFGVSBXSKP-UFFVCSGVSA-N 441.266 5.837 30 10 IKEE C=C(C)COc1ccccc1NC(=O)CCCCC(=O)Nc1ccccc1OCC(=C)C 9823628 IJOGLLKCMHTWMQ-UHFFFAOYSA-N 436.552 5.734 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OC(C)C)cc2)C3)cc1 21241907 CUCAYPHIBYVIMI-NZQKXSOJSA-N 433.548 5.267 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(C(F)(F)F)cc2)cc1 21248726 IWHPILPRKFYGAX-XLIONFOSSA-N 443.465 5.499 30 10 IKEE O=S(=O)(/N=C(\Nc1ccc(Cl)cc1)c1ccccc1)c1ccc(Br)cc1 27490094 IXSROJADHCHWAV-UHFFFAOYSA-N 449.757 5.350 30 10 IKEE Cc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3F)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N23)cc1 33744662 ORDAQYJPJNSNSJ-ZNZIZOMTSA-N 433.486 5.418 30 10 IKEE CC(C)c1ccc(OCC(=O)Nc2sc3c(c2C#N)CCN(Cc2ccccc2)C3)cc1 36628875 GXFJELNGRJTWDG-UHFFFAOYSA-N 445.588 5.319 30 10 IKEE CCCCCCn1c(O)c(C(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c(C)c(C#N)c1=O 38627192 SJQUXEBJSHOLLC-KRWDZBQOSA-N 444.959 5.235 30 10 IKEE Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1/C=N/Nc1c2ccccc2nc2ccccc12 39557571 XUJAVQMKYAAEQR-CVKSISIWSA-N 436.475 5.545 30 10 IKEE Cc1ccc(-c2ccc(/C=C3/S/C(=N/c4nc(C)cs4)N(C)C3=O)o2)c([N+](=O)[O-])c1 39865181 NLLGWXWHJAYJNW-HUEMVUINSA-N 440.506 5.162 30 10 IKEE COc1ccc(CCn2c(O)c(/N=N/c3ccc(C)c(C)c3)c(C)c(C#N)c2=O)cc1OC 39870500 AREXVQBRSJWSQB-BYYHNAKLSA-N 446.507 5.026 30 10 IKEE CC(C)(C)c1ccc(/C=N/N=C2\NC(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)S2)cc1 39888394 VPIGCBIMFXKSMK-WUERFNLMSA-N 433.499 5.167 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1ccccc1OC 40093663 UWVZZASKXCXBFV-QHCPKHFHSA-N 437.536 5.169 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O3)CN(Cc1cccs1)CO2 41645839 JIXLHSBXQJKETI-FMCGGJTJSA-N 431.557 6.148 30 10 IKEE COc1cccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccc(F)cc2)C4)c1 41646737 OZIMPVCQMVMCGC-FMCGGJTJSA-N 431.463 5.111 30 10 IKEE Oc1c(Br)cc(Br)cc1/C=N/N(c1ccccc1)c1ccccc1 59146743 WLYXRLXVXLAVRM-LPYMAVHISA-N 446.142 6.089 30 10 IKEE Cc1ccc(/N=C(\O)N2CCN(C3=Nc4ccccc4Oc4ccccc43)CC2)c(Cl)c1 82113527 OHVSVCHFMUXNIA-UHFFFAOYSA-N 446.938 5.696 30 10 IKEE COc1cc(/C=C\C(=O)c2c(C)nn3c4ccccc4n(C)c23)cc(Cl)c1OC(C)C 96925869 OQQUIKPMQKEFJH-KHPPLWFESA-N 437.927 5.480 30 10 IKEE O=C1/C(=C/c2ccc3c(c2)OCO3)S/C(=N/c2ccncc2Cl)N1c1ccccc1 101127722 SMWIYOMEQYBEHA-FUYBOGSOSA-N 435.892 5.272 30 10 IKEE CCCCCCCOc1ccc(/C=C\[C@]23N=C(O)CCN2c2ccccc2C3(C)C)cc1 102755750 RJNNANDABJZSRA-CNUDVZTESA-N 432.608 6.903 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2cccc(OC)c2)cc1 169931285 BMXPHVCTJJTARV-VWLOTQADSA-N 441.527 5.657 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)CCc2ccccc2)=C(O)C(=O)N1c1ccccc1C 169946377 JBOGVHGUSZMWFX-RUZDIDTESA-N 427.500 5.106 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2ccc(F)c(F)c2)c1 169968228 NTKZQGJQLHSTOZ-QHCPKHFHSA-N 444.437 5.537 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2O)[C@H]1c1cccc(C)c1 169970966 RSIKFNIPVDBRHB-DEOSSOPVSA-N 443.499 5.109 30 10 IKEE CC(C)Oc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2)c1 169979724 UTDLMUIMYYANGA-QHCPKHFHSA-N 447.918 5.910 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@@H]2c2cccs2)cc1 169985094 QVPZOKVPYNGQPB-QFIPXVFZSA-N 449.528 5.247 30 10 IKEE Cc1[nH]c2ccccc2c1[C@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1Cc1ccco1 170103972 KIBLTUKMOIIMSK-QFIPXVFZSA-N 446.890 5.501 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@H]1c1ccccc1OC 170125589 ZZBFSDNGPHRCFI-JOCHJYFZSA-N 437.536 5.089 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccc(C)c2)c1 170141570 WWRPKPGWLOBNBW-QHCPKHFHSA-N 447.918 5.830 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccs2)cc1C 170161632 QGXQNKFWMLBDRP-QHCPKHFHSA-N 447.556 5.937 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(OCC)cc1 170214338 UUBNLQKKQAGOAZ-NRFANRHFSA-N 427.928 5.507 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2OCC)[C@H]1c1ccccc1 170232962 YMIOZADQQDBXAT-HSZRJFAPSA-N 437.536 5.253 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccccc1C 170272404 MYNQSSUHXQSQLS-DEOSSOPVSA-N 441.527 5.712 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)C[C@H](C)O3)=C(O)C(=O)N1c1ccccc1C 170273251 JFORHTHJSLHTGN-BVZFJXPGSA-N 439.511 5.410 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Cl)cc2)cc1 170361449 WYKWPHNAXIZQLB-QFIPXVFZSA-N 433.891 5.522 30 10 IKEE N#Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 247658401 QVGHVZSABZWKRD-UHFFFAOYSA-N 435.930 5.969 30 10 IKEE Cc1ccc(N=C2S/C(=C\c3ccccc3OCc3ccccc3C#N)C(=O)N2C)cc1 252623858 PAYRFYHAYXRJCI-HOOGSHDOSA-N 439.540 5.680 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccnc2)c1 526487934 HTYJYJDPCYBNPR-XMMPIXPASA-N 425.488 5.189 30 10 IKEE CCOc1c(Cl)cc(/C=N\n2c(CC)nnc2SCc2ccccc2)cc1Cl 526800243 WYUSUUNXOVHJGI-FMCGGJTJSA-N 435.380 5.721 30 10 IKEE Fc1ccccc1/C=N\n1c(CCc2ccccc2)nnc1SCc1ccccc1F 526803593 BUHALKZVSPOUOE-YUMHPJSZSA-N 434.515 5.516 30 10 IKEE Cc1ccsc1/C=N\n1c(CCc2ccccc2)nnc1SCc1ccccc1F 526803791 NMRDBSAJLGQAGZ-MYYYXRDXSA-N 436.581 5.747 30 10 IKEE CCCCOc1ccc(/C=N\n2cnnc2SCc2cc(C)cc(C)c2)cc1OCC 526808974 SXRCJDLDZWLBRY-YSMPRRRNSA-N 438.597 5.647 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1ccc(OC(C)C)cc1 526815322 YBRDFXYOWKSVCI-MSXFZWOLSA-N 449.407 6.109 30 10 IKEE CCCCOc1ccc(/C=N\n2c(CCC)nnc2SCc2ccc(C#N)cc2)cc1 526823179 RTPYAXROFNLMRY-ONUIUJJFSA-N 433.581 5.456 30 10 IKEE Cc1ccc(Nc2nc(C)cc(Nc3ccc(NC(=O)c4ccc(C#N)cc4)cc3)n2)cc1 585429024 MHLRYFSDLKCNTM-UHFFFAOYSA-N 434.503 5.705 30 10 IKEE CC(C)(C)c1ccc(N(CCCC#N)S(=O)(=O)c2ccc(Br)cc2)cc1 586205681 OMIRRROYIFXGIF-UHFFFAOYSA-N 435.387 5.246 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@H]2Nc1ccc(Br)c(C#N)c1 690218598 OLGFGVBNMIZXIT-IBGZPJMESA-N 428.330 5.767 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@H](C#N)c1cccc(I)c1 698421451 ZXLWXSBTBNEGQZ-KRWDZBQOSA-N 440.325 5.426 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)C2CCN(C(=O)OC(C)(C)C)CC2)c1 698467724 DWFPSOJAUVGPRH-RUZDIDTESA-N 443.588 5.666 30 10 IKEE C[C@H]1N(C(=O)OC(C)(C)C)CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 698834400 XPXLUKCVIQKUPA-MWTRTKDXSA-N 449.979 5.763 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 698942566 VOLPVXRKQJKRIW-DEOSSOPVSA-N 448.950 6.925 30 10 IKEE N#Cc1ccccc1NC(=S)/C(=C(/O)c1ccc2c(c1)CCC2)[n+]1cccc(O)c1Cl 735667721 YCYINENDSRVNPE-UHFFFAOYSA-O 448.955 5.017 30 10 IKEE N#Cc1ccc(/C(O)=C(/C(=S)Nc2ccc(Cl)nc2)[n+]2ccc3c(c2)CCCC3)cc1 762437590 BCKQPUGCAYUXCE-UHFFFAOYSA-O 447.971 5.096 30 10 IKEE Cc1cc(C#N)ccc1NC1CCC(OC(=O)CCc2cc3ccccc3nc2O)CC1 779235981 ZRJQFCWPCSZFFL-UHFFFAOYSA-N 429.520 5.020 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=Nc1ccncc1Cl 1772736837 ZZBRGQONLFWMFW-NAAAPUFRSA-N 444.343 6.272 30 10 IKEE CCc1nc2sc(C)c(-c3ccc(Cl)c(C)c3)c2c(=O)n1Cc1cccc(C#N)c1 1857802628 CNUVSONDKHTPOT-UHFFFAOYSA-N 433.964 5.878 30 10 IKEE COCCN(C(=O)c1ccc(Cl)cc1Cl)[C@@H](C#N)c1cccc(Br)c1 1857960053 DGUSMOKGDKOTDE-KRWDZBQOSA-N 442.140 5.109 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccccc2)c1)C(=O)Nc1cccc(Cl)c1Cl 1860729871 RTQQSHFJGVNDFN-OUKQBFOZSA-N 426.299 5.793 30 10 IKEE CC(C)(C)c1csc(NC(=O)C(=O)Nc2nc3c(s2)C[C@H](C(C)(C)C)CC3)c1C#N 1860767761 GYGZYCIMKXBLIK-GFCCVEGCSA-N 444.626 5.102 30 10 IKEE N#Cc1ccc(NC(=O)CCCCCNC(=O)c2c(Cl)ccc(Cl)c2Cl)cc1 1860866302 BGUPRNCVQFNXKT-UHFFFAOYSA-N 438.742 5.447 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)Cc1ccc(Cl)cc1 1861138642 IIWKMFVENIZTLO-HSZRJFAPSA-N 429.004 5.087 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)c1ccc(OCCCCCC)cc1 1861524558 UZCFXKDTKDFSOX-VWLOTQADSA-N 446.676 6.411 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(Cl)s1 1861740677 PZRQYCBXXFBONF-HXUWFJFHSA-N 449.060 6.000 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1cccc(O)c1 1862381587 DBAYJJMBFZXTMY-LJQANCHMSA-N 434.319 5.468 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(C)c2)cc1 1862389193 ABOVYMFFCXXCEY-XMMPIXPASA-N 429.516 5.709 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@@H]1c1ccc(N(CC)CC)cc1 1862394147 JIBPJNAKMFGJPM-VWLOTQADSA-N 446.591 5.640 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccccc2C)cc1 1862443607 RGRFICXNCBRLDH-QHCPKHFHSA-N 431.919 5.735 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862453094 RNXMAAYUDUIIJE-ADLMAVQZSA-N 449.290 5.278 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc3ccccc23)c1 1862494469 MJXCLFGXDCZABT-VWLOTQADSA-N 425.528 5.978 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@@H]2c2cccc(F)c2)cc1 1862529030 BDLBCQCJNXPUEF-HSZRJFAPSA-N 449.909 5.820 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(C)cc1 1862533034 KAECTNACIAWVRV-ILBGXUMGSA-N 433.592 6.495 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1ccc(Cl)cc1 1862641535 VKQCVSZRKYKDNX-OAQYLSRUSA-N 445.918 5.646 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2c(F)cccc2Cl)cc1F 1862645080 ZXNHSWIOFQJFOX-FQEVSTJZSA-N 447.865 5.148 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2cccc(O)c2)cc1 1862649271 UKXQYWHWIKKZPN-SANMLTNESA-N 449.506 5.632 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCc2ccccc2)cc1 1862660473 LSTUJUNBHKQVHR-SANMLTNESA-N 439.555 5.939 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccccc2)cc1 1862661246 VCTJWISTNIPFMK-RUZDIDTESA-N 443.518 5.770 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2C)cc1 1862674891 WYPPGIGEWFXBAN-BVZFJXPGSA-N 443.518 6.036 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(CC)cc1 1862688244 UEBCOKLDFVNPBX-VWLOTQADSA-N 449.591 6.196 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccccc2C)c1 1862698759 NHFPJTIZMUREJO-UUOWRZLLSA-N 427.500 5.343 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2Cc2cccs2)cc1 1862702472 CYYWMXGVCABXMS-JOCHJYFZSA-N 433.529 5.098 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3cccc4c(O)cccc34)C2=O)cc1 1862895906 LVAIVLYVVHKBEE-UHFFFAOYSA-N 445.478 5.122 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C)c2C)=C(c2ccc(OCC)cc2)C1=O 1863205099 PGUVVUMDUDKPSU-UHFFFAOYSA-N 448.607 6.255 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C(=O)OC)c2)=C(c2cccs2)C1=O 1863476909 ZAUWYAJLDRXPFW-UHFFFAOYSA-N 440.565 5.087 30 10 IKEE N#Cc1ccccc1OC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)nc1C(F)(F)F 1865787426 GCEZHLYGRCBAKT-UHFFFAOYSA-N 437.204 6.165 30 10 IKEE CC(C)[C@@H]1c2ccccc2CCN1c1cc(Nc2ccc(C#N)cc2)nc(-c2cccnc2)n1 1868576609 WZZHCJCHBNCMDB-HHHXNRCGSA-N 446.558 5.914 30 10 IKEE C=CCN(CC=C)c1nc(=NC(=O)c2ccc(C(C)(C)C)cc2)n(-c2ccc(Cl)cc2)[nH]1 1870002147 CTXQIJRMLBRJDE-UHFFFAOYSA-N 449.986 5.071 30 10 IKEE CCCCCn1cc(OCC(C)C)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870259520 XFXVJAPVXIWQNR-UHFFFAOYSA-N 427.614 5.558 30 10 IKEE CCCCCCCCCCn1cc(OCc2ccccc2C)c(=O)cc1CN(C)CCO 1870629817 ROWAFIHMIKCMCQ-UHFFFAOYSA-N 442.644 5.301 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCCC)cn1CCCCCCCC 1870764591 QKCXAONGONVCMG-UHFFFAOYSA-N 446.632 5.105 30 10 IKEE CCCCCCCCn1cc(OCCCCC)c(=O)cc1CNc1ccc2[nH]ncc2c1 1871130418 QHTITJYSGKXQMJ-UHFFFAOYSA-N 438.616 6.266 30 10 IKEE C=CCn1cc(OCCCCOc2ccccc2C)c(=O)cc1CNc1ccccc1C 1871228152 XICPJBMATDMWNO-UHFFFAOYSA-N 432.564 5.501 30 10 IKEE CCCCCCCCCCN=c1[nH]c(Nc2cc(Cl)cc(Cl)c2)ncc1[N+](=O)[O-] 1871304497 XJAKCALQTGEBON-UHFFFAOYSA-N 440.375 6.410 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4cccc([N+](=O)[O-])c4C)c3C)C2=O)cc1 1871373575 NCMSJQNGZBGLIH-XKZIYDEJSA-N 429.428 5.355 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O)c1cc(Cl)ccc1Cl 1871380966 HAADIPYPOIIXKF-KACMKLLYSA-N 437.278 6.385 30 10 IKEE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871388313 OSDTVOYIQLQAPC-QRVIBDJDSA-N 434.875 5.963 30 10 IKEE CC(C)C(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccs2)C3=O)cc1 1871390605 DZVCSMKYYYBDHG-BKUYFWCQSA-N 434.469 5.145 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OCCOc4ccc(C)cc4)c3C)C2=O)c(OC)c1 1871407269 ZPNJJNMFJKEVPW-MYYYXRDXSA-N 446.499 5.395 30 10 IKEE CCCCCCCCCOc1ccc2c(c1)O/C(=C\c1cn(CC)c3ccccc13)C2=O 1871430002 YGEKVNCRGHPIMT-IMRQLAEWSA-N 431.576 7.407 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OCCN4CCCC4)cc(C)c3C2=O)c2cc(OC)ccc21 1871449776 WLRBLQKGRQIAMY-QFEZKATASA-N 446.547 5.069 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1C 1871459607 SMMXOTATZXBMDS-FMCGGJTJSA-N 431.463 5.385 30 10 IKEE CCCCCCCCCCN=c1nc(N2CCC[C@H](C)C2)[nH]c(=Nc2cccc(F)c2)[nH]1 1871546129 HNMIIPLTBFWETL-FQEVSTJZSA-N 442.627 5.387 30 10 IKEE C=CCN([C@@H](CC)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1cc(C)ccc1C 1871823417 JRSMZNXZGJMURU-QHCPKHFHSA-N 442.625 5.240 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1 1872458092 GUYLPEARMXMXLS-JOCHJYFZSA-N 449.016 5.331 30 10 IKEE COc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1OC 1872759989 DZCTZIJNHGQMKB-AKERNLMBSA-N 444.556 5.596 30 10 IKEE N#C[C@@H](C(=O)CCCOc1ccc2ccccc2c1)c1nc(-c2ccccc2Cl)cs1 1872764298 JMKCHYPPHPWDAU-NRFANRHFSA-N 446.959 6.652 30 10 IKEE CCCCc1ccc(N2C[C@H](C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)CC2=O)cc1 1872768068 IUZPDZBFONGLKM-IFMALSPDSA-N 443.572 5.382 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccccc3C(C)C)n2)c1C 1872778188 FYWJROXXILMKKF-UNMCSNQZSA-N 446.616 6.811 30 10 IKEE COc1cc(OC)c(-c2csc([C@H](C#N)C(=O)Cc3ccc(F)c(C)c3)n2)cc1Cl 1872782017 BEFXUPVWYXSAMJ-OAHLLOKOSA-N 444.915 5.347 30 10 IKEE CCc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2cc(Cl)cc(C)c2OC)cs1 1872786711 QGSDIUDNHCRBQS-SFHVURJKSA-N 440.952 5.598 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4nc(C)c(C)nc4c3)n2)cc1Cl 1872789896 YEALOLCMRJIZIG-INIZCTEOSA-N 448.935 5.522 30 10 IKEE COC(=O)c1nc(-c2cccs2)oc1N/N=C/c1cccc(OCc2ccccc2)c1 1873464093 XAPUYLWITVKWQT-ZVHZXABRSA-N 433.489 5.215 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1ccccc1 1874202422 APMMERDPGJBNHR-CVKSISIWSA-N 434.609 6.013 30 10 IKEE CCOc1ccc(/C=N/n2c(CCCOc3ccc(CC)cc3)nnc2SCC)cc1 1874222839 FJDRTDHBUXQWAM-XIEYBQDHSA-N 438.597 5.245 30 10 IKEE Cc1ccc(CSc2nnc(COc3c(C)ccc(C)c3C)n2/N=C/c2ccc[nH]2)cc1 1874253199 POKSQKMOSPRQLS-MZJWZYIUSA-N 445.592 5.593 30 10 IKEE Cc1ccccc1CCc1nnc(SCCCO)n1/N=C/c1c(Cl)cccc1Cl 1874363638 PDDOIUYZLNUIFW-ZVHZXABRSA-N 449.407 5.035 30 10 IKEE COc1ccc(/C=N/n2c(COc3ccccc3)nnc2SCc2ccc(C)cc2)cc1 1874382146 ASRBWFCYPYNBTD-WGOQTCKBSA-N 444.560 5.349 30 10 IKEE Oc1ccccc1/C=N/n1c(CCc2ccccc2)nnc1SCc1ccc(Cl)cc1 1874404970 YPNQKSYRVMFKEX-WGOQTCKBSA-N 448.979 5.597 30 10 IKEE O=[N+]([O-])c1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2-c2cccs2)cc1 1874420924 LNHJPIMYTSTZKF-WSDLNYQXSA-N 439.497 5.228 30 10 IKEE Cc1ccccc1CSc1nnc(-c2cccs2)n1/N=C/c1ccc(C(=O)O)cc1 1874420947 MTJBDVXYSJFBSX-YDZHTSKRSA-N 434.546 5.188 30 10 IKEE O=[N+]([O-])c1ccccc1/C=N/n1c(SCc2cccc3ccccc23)nnc1C1CC1 1874520985 VCHMDFGROQCFPC-ZVHZXABRSA-N 429.505 5.391 30 10 IKEE Sc1nnc(C2CCCC2)n1/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 1874559885 VHHASEIMIBUSTQ-WYMPLXKRSA-N 447.391 5.992 30 10 IKEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(F)cc1F)Nc1ccccc1 1874576268 FYRMHNVQIQRZBS-UXBLZVDNSA-N 427.834 5.532 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Br)ccc1OCc1ccccc1C 1874577130 XTIYAKXUMWBYQT-ACCUITESSA-N 437.333 6.241 30 10 IKEE O=C(COc1ccc2ccccc2c1/C=C/C(=O)c1cccc(Cl)c1)NC1CCCCC1 1874577488 PQIKJMBANRJQMA-CCEZHUSRSA-N 447.962 6.217 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccccc2C)c(C)c1C 1874586374 KTYDAPQMCFVTMV-FYWRMAATSA-N 429.516 5.534 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)c1OCC(=O)OCC(C)C 1874588734 AXGSPOFKWADWAG-MDZDMXLPSA-N 446.927 5.140 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccccc1OCC(=O)Nc1ccccc1F 1874591779 BGOQNRYUGUDLJS-ZRDIBKRKSA-N 439.870 5.401 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3c(C)cccc3C)c2)cc1OC 1874594063 PWTKLSXCWQZZLV-ACCUITESSA-N 445.515 5.234 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(Cl)c1OCCc1ccccc1 1874609430 QVHSSCGWJICDEG-NTEUORMPSA-N 436.935 6.265 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1 1874615553 DPEXJKMMFCVANV-MDWZMJQESA-N 440.326 6.215 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3cc(C)ccc3C)c([N+](=O)[O-])c2)c(C)c1C 1874626569 LLMUYNAXUUREDS-DHZHZOJOSA-N 445.515 6.312 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OCC(=O)Nc1cc(C)cc(C)c1 1874633176 PFAOCJDMDVQEOP-JXMROGBWSA-N 443.543 5.842 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)ccc1OCCc1ccccc1 1874635020 CYPHGTOPCHSUGM-NTCAYCPXSA-N 428.572 6.819 30 10 IKEE COc1ccccc1CCC(=O)Oc1cccc(/C=C/C(=O)c2ccc(C(C)C)cc2)c1 1874709770 JELDPWAXVRQHHB-GZTJUZNOSA-N 428.528 6.253 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(F)cc2)CSc2nnc(C3CCC3)n21 1874878440 RGGIVVGSYKHQRT-FQEVSTJZSA-N 430.593 5.747 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc3ccccc3c2)cc1OCC 1875095598 XSPXZLIDNIIFER-SDNWHVSQSA-N 436.935 6.884 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccncc2)c(Cl)c1)c1cccc(Br)c1 1875114491 NDIVTMBSBBQCRK-GQCTYLIASA-N 442.696 5.613 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)c1cccc(C)c1 1875122324 XVEBAZFDQFCDGM-OUKQBFOZSA-N 446.930 6.501 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3cccc(Cl)c3)cc2OC)cc1 1875122887 MVCRQSKISWHDHC-SDNWHVSQSA-N 448.946 6.345 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3[N+](=O)[O-])cc2)cc1 1875129613 LKURSNWAIKEVJX-CXUHLZMHSA-N 431.444 5.038 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1OC 1875144210 KFQFIWYAXNVSNQ-ZRDIBKRKSA-N 446.499 5.065 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] 1875157324 YZQANEUYIGEQAS-RIYZIHGNSA-N 445.471 5.842 30 10 IKEE Cc1ccccc1CCC(=O)Oc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1 1875168583 KPJBGFNNGNUTNT-FOWTUZBSSA-N 426.556 6.663 30 10 IKEE Cc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C(C)(C)C)ccc3C)cc2Cl)c1 1875184312 SPURDNUYIPGPQS-JLHYYAGUSA-N 446.974 7.370 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3C)c(Cl)c2)cc1C 1875187550 CWWDASPIIDEZJC-PKNBQFBNSA-N 434.919 6.389 30 10 IKEE C[C@@H]1CCCC[C@@]1(C#N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875690507 VLVKZFGGKFCCHF-YDTRGFDASA-N 441.571 6.598 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@H](C#N)c1c(Cl)cccc1Br 1931397829 MDQHZKOZIIXYNB-KRWDZBQOSA-N 435.749 6.104 30 10 IKEE CCCCCCCCCC[C@@H](O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1947500565 UKXUGYKMRXAKLI-BJKOFHAPSA-N 435.649 6.378 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CCC2 1948905059 KOGIYKOZWKCJPX-PLXFJCCSSA-N 428.617 5.307 30 10 IKEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1999937480 BJLYCARCFBVZFC-QMHKHESXSA-N 449.979 5.621 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NC)c1c(Br)ccc(Cl)c1F 2037655045 WCGFKSVEXPIQAT-CJNGLKHVSA-N 435.765 5.362 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1O[C@H](C)C(=O)N(C)C 2040455116 OURSJKYHNHQVQD-CQSZACIVSA-N 436.335 5.144 30 10 IKEE C=CCN(C[C@H](Cc1cccc(Br)c1Cl)NCC)C(=O)OC(C)(C)C 2047974975 AEIJEQFVJQFMTM-HNNXBMFYSA-N 431.802 5.046 30 10 IKEE Cc1nc(N(Cc2ccccc2)[C@@H](C)c2cccs2)ccc1B1OC(C)(C)C(C)(C)O1 2052551580 HHZGQINPLUVUQM-IBGZPJMESA-N 434.414 5.519 30 10 IKEE C=C[C@@H]1CN2CC[C@H]1C[C@@H]2[C@H](OC(=O)Nc1ccccc1)c1ccnc2ccc(OC)cc12 2060425030 WAGNPFQJAGQEKD-KQFOGTDGSA-N 443.547 5.430 30 10 IKEE N#C[C@]1([C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CC=CCC1 2071348083 GLNODQXTSYDBEP-IZLXSDGUSA-N 425.528 6.128 30 10 IKEE CC#CCCCC[C@H](NCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2075361503 ZFNJNJNDIBEJNN-IGKIAQTJSA-N 442.644 5.392 30 10 IKEE CC1(c2nn([C@@H](c3ccc(C4CCC4)cc3)C3CC3)c(Br)c2C=NO)CC1 2079982850 YLPYLBJENSJMJF-IBGZPJMESA-N 428.374 5.772 30 10 IKEE C[C@]1(C(F)F)CSC(=Nc2c(Br)cc(Cl)cc2Br)N1 2105089860 YNFWMIZKDACQCW-LLVKDONJSA-N 434.531 5.213 30 10 IKEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(Cc2cc(Cl)cc(Br)c2)CC1 2137177698 PPIINRWPRDHPGG-UHFFFAOYSA-N 426.591 5.256 30 10 IKEE CCCCCC#CC[C@@H](NC)c1cc(I)ccc1Br 2139009967 YOCSXOXVKKDTOI-MRXNPFEDSA-N 434.159 5.288 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)C(C)(C)[C@H]1CCCCO1 2151437240 KJWAXVBQKRGCKN-QZTJIDSGSA-N 437.378 5.678 30 10 IKEE CN[C@@H](C#Cc1ccccc1Br)c1ccc(NC(=O)OC(C)(C)C)c(C)c1 2235730792 KVWCZRVDLYZKBR-FQEVSTJZSA-N 429.358 5.417 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)CN(CC(C)(C)C)C(=O)OC(C)(C)C 2235736615 ZKTKLNULJINPAA-SFHVURJKSA-N 437.422 5.062 30 10 IKEE C=C(COCc1ccccc1)[C@H](CCCC1CCN(C(=O)OC(C)(C)C)CC1)NCCC 2256090695 AMHRKOWSPDCERB-VWLOTQADSA-N 444.660 5.945 30 10 IKEE O[C@H](C#Cc1ccccc1F)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2266601750 DSDVDORKNUYDNE-HHHXNRCGSA-N 438.498 6.069 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cccc(Cl)c1Br 2272013074 AXTOHFCPHNOERV-SJLPKXTDSA-N 443.813 5.450 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(C)c(Br)c1 2278359264 JXJULLDHYGRCBO-MOPGFXCFSA-N 425.411 5.658 30 10 IKEE CC1(C)OB(c2cc(Nc3ccc(OCc4ccccc4)cc3)ccc2[N+](=O)[O-])OC1(C)C 2282939340 CBEUAHQMXBKDEC-UHFFFAOYSA-N 446.312 5.217 30 10 IKEE CC(C)(C)OC(=O)NCc1cc(F)ccc1Nc1cc(Br)c(C#N)cc1F 2283846095 VTALHGYCWWDFHZ-UHFFFAOYSA-N 438.272 5.367 30 10 IKEE CN[C@@H](CC=CC#CC(C)(C)C)c1ccc(I)c(Br)c1 2284165285 ROQGMYIXGIMWRO-INIZCTEOSA-N 446.170 5.310 30 10 IKEE C=CCCCCC[C@@](C)(OCCN)c1cc(Br)c(Br)s1 2292882153 LNZOFMWCGLYJRO-OAHLLOKOSA-N 425.230 5.600 30 10 IKEE Cc1cccc(C=C2SC(=Nc3ccccc3)N(Cc3ccc(C(=O)O)cc3)C2=O)c1 2293287880 GFJYKBLHWAIHHV-UHFFFAOYSA-N 428.513 5.497 30 10 IKEE CC[C@@H](C)Oc1c(C=C2SC(=Nc3ccccc3)N(CCOC)C2=O)cccc1OC 2294137543 LNIFIALKAWDNAG-QGZVFWFLSA-N 440.565 5.123 30 10 IKEE CCCCCCCCC=CCCCCCCCC(=O)Oc1ccc2c(C)cc(=O)oc2c1 2294785167 NKQFKJYKCVDLPT-UHFFFAOYSA-N 440.624 8.044 30 10 IKEE CCCCN1C(=O)C(=C2Sc3ccccc3N2C)SC1=Nc1cccc(C(C)=O)c1 2295196082 RVJTWKGUORAROP-UHFFFAOYSA-N 437.590 5.663 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)C[C@@H](NC(=O)OC(C)(C)C)C(C)C 2296281602 MTDXGKWHWGHBOF-VQTJNVASSA-N 437.422 5.108 30 10 IKEE CN[C@@H](C#Cc1ccc(Br)cc1)c1cccc(NC(=O)OC(C)(C)C)c1C 2296289660 UESNGIGQZILYBH-FQEVSTJZSA-N 429.358 5.417 30 10 IKEE Cc1ccccc1N=C1SC(=Cc2cccc([N+](=O)[O-])c2O)C(=O)N1c1ccccc1C 2296826689 CMLRLSCKBXPNQA-UHFFFAOYSA-N 445.500 5.726 30 10 IKEE COc1ccc(N=C2NC(=O)C(=Cc3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)S2)cc1 2297534462 NFTDSZCSHRANEX-UHFFFAOYSA-N 435.461 5.063 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@](C#N)(N(C(=O)OC(C)(C)C)c1ccccc1)C2 2305677653 UNKCSZIHMYEILJ-KDLAUNOPSA-N 427.545 5.110 30 10 IKEE O=C(C=Cc1ccc(F)cc1)c1ccc(OC(=O)c2ccccc2Br)cc1 2314429173 ACAIZQCCTPLUCK-UHFFFAOYSA-N 425.253 5.704 30 10 IKEE O=C(C=Cc1ccccc1OC(=O)c1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1 2314429327 DQWWMMOPXUDREE-UHFFFAOYSA-N 438.910 7.122 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc3C2=O)c1 2314438214 LLJRWEDZFHACBA-UHFFFAOYSA-N 428.484 5.828 30 10 IKEE O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1cccc(Cl)c1 2314477810 NBWUQIIKLIMOSB-RUZDIDTESA-N 443.930 5.561 30 10 IKEE C=CCOc1ccccc1C=C1SC(=Nc2nnc(C)s2)N(c2ccccc2)C1=O 2314547075 CLRZPEADHLTQCX-UHFFFAOYSA-N 434.546 5.220 30 10 IKEE CN1C(=O)C(=Cc2ccc(-c3ccccc3Cl)o2)SC1=Nc1cccc(C(=O)O)c1 2314548081 POFWBGSMTNXCGS-UHFFFAOYSA-N 438.892 5.532 30 10 IKEE COc1ccccc1C=NN=C1SC(=Cc2ccccc2C)C(=O)N1Cc1ccco1 2314819319 YCRFEXKUVGRSPU-UHFFFAOYSA-N 431.517 5.103 30 10 IKEE CCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1ccc(OCC)cc1 2318574583 NYIOOYSXKGVFET-UHFFFAOYSA-N 436.625 6.101 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OCc3ccc(Cl)cc3Cl)c2C)C1=O 2321787330 WSOPMLBBOCPWET-UHFFFAOYSA-N 425.311 6.805 30 10 IKEE Cc1c(OCc2cccc(F)c2)ccc2c1OC(=Cc1c(Cl)cccc1Cl)C2=O 2321888293 ASDAFXUEBOUBFF-UHFFFAOYSA-N 429.274 6.636 30 10 IKEE CCCCCCCCCCN1COc2ccc3c(c2C1)OC(=Cc1cccc(C)c1)C3=O 2322131482 LMGRXZBTIWKNPO-UHFFFAOYSA-N 433.592 6.904 30 10 IKEE CCCc1ccc(OCc2nnc(S)n2N=Cc2c(OC)ccc3ccccc23)cc1 2322156473 NLBRWFBPUFGARN-UHFFFAOYSA-N 432.549 5.142 30 10 IKEE COC(=O)COc1ccc2ccccc2c1C=CC(=O)c1cccc(Br)c1 2322457511 GYNZYEJUYWXUBI-UHFFFAOYSA-N 425.278 5.050 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)cc1 2322687650 JZRZCDRQXWMJHO-UHFFFAOYSA-N 442.511 6.137 30 10 IKEE COC(=O)c1ccc(COc2c(C=CC(=O)c3ccc(F)cc3)cc(Cl)cc2OC)o1 2322748229 CRCYVYYEVDZGBJ-UHFFFAOYSA-N 444.842 5.342 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCc2ccc(Cl)c(Cl)c2)c(C)c1C 2322810060 IRIPLWCMAHVSQR-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1c(OCc2ccc(C)cc2)ccc2ccccc12 2322851590 SENPTUFGWFBPSG-UHFFFAOYSA-N 436.551 7.249 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccccc2)c1 2322860331 IROURGJGOJBFPB-UHFFFAOYSA-N 445.515 5.398 30 10 IKEE CCCOc1ccc(Br)cc1C=CC(=O)c1cc(Cl)c(OC)cc1OC 2322880951 MOMFQOZPDJCRHN-UHFFFAOYSA-N 439.733 5.805 30 10 IKEE Cc1c(OC(=O)Cc2ccccc2)ccc2c1OC(=Cc1cccc(Br)c1)C2=O 2322884784 UYTZDDAGWAUSME-UHFFFAOYSA-N 449.300 5.522 30 10 IKEE CCOc1c(C=CC(=O)c2ccc(OC)c(Cl)c2)cc(Br)cc1OC 2322977923 QLKWUJPOPSKZHC-UHFFFAOYSA-N 425.706 5.415 30 10 IKEE Cc1c(OC(=O)c2ccc([N+](=O)[O-])cc2)ccc2c1OC(=CC=Cc1ccccc1)C2=O 2323149396 SBDPDGLZMZPOIL-UHFFFAOYSA-N 427.412 5.295 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OCc3ccc(Cl)c(Cl)c3)c2)c1 2323178137 MSWLKVNYMKPGMV-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OC(=O)c4ccc(Cl)c(Cl)c4)c3C)C2=O)c1 2323260102 WEVRFTPZQLZSNE-UHFFFAOYSA-N 439.294 6.446 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2323370742 LFEYJMQQFXLTDM-UHFFFAOYSA-N 434.875 5.503 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(Cl)c1OCc1ccccc1F 2323602122 DVGNSZGATIENCC-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)c4ccc(-n5cccc5)cc4)ccc3C2=O)cc1 2323675296 YXWKHVQGXFGSLF-UHFFFAOYSA-N 435.479 5.875 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2Cl)c1 2323943781 IEARWSPGAVWGAI-UHFFFAOYSA-N 433.935 6.179 30 10 IKEE COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2sccc2C)C3=O)cc1 2324451387 GEMPNTOMKOWGCU-HNNXBMFYSA-N 435.501 5.087 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)c(C)c1 2324545631 KBVKEWNJMZFUGA-UHFFFAOYSA-N 427.544 6.142 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 2324561505 AACAPQLGGVOQTF-UHFFFAOYSA-N 445.515 6.394 30 10 IKEE Cc1ccsc1C=C1Oc2cc(O[C@@H](C)C(=O)Nc3ccc(C#N)cc3)cc(C)c2C1=O 2325307091 SRDWGQOCBINPFK-INIZCTEOSA-N 444.512 5.259 30 10 IKEE CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1 2325424604 GBXMROARRZJHAN-MRXNPFEDSA-N 445.446 5.051 30 10 IKEE COc1cccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccc(F)cc2)c1 2325440438 OIWFAYSUHMYAGQ-UHFFFAOYSA-N 446.551 5.386 30 10 IKEE O=C(COc1cc(F)ccc1F)Oc1cccc(C=CC(=O)c2ccc3c(c2)CCCC3)c1 2325702256 VTIQHCBTBDGLCF-UHFFFAOYSA-N 448.465 5.724 30 10 IKEE CCOc1cccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(Cl)cc3Cl)c2)c1 2325709784 DGWORLHRLJGEIV-UHFFFAOYSA-N 441.310 6.507 30 10 IKEE COc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)CSc1ccccc1 2325721700 YSVFOYJATIJXGZ-UHFFFAOYSA-N 449.484 5.197 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)CC34CC5CC(CC(C5)C3)C4)c2)cc1 2325734996 GQCXSBVQZFZXMT-UHFFFAOYSA-N 444.571 6.493 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4CC)cc(C)c3C2=O)cc1 2325737611 CEBXFRKIYFJWCA-UHFFFAOYSA-N 441.527 5.754 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1 2325743544 AAWYJWXJUIMUDK-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OC(=O)c1cccc([N+](=O)[O-])c1 2325750402 KGGPBBRUZRATSF-UHFFFAOYSA-N 445.471 5.842 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2cccc(OC(=O)CCCOc3ccccc3)c2)cc1 2325750698 HFXCGFXHAIGDHL-UHFFFAOYSA-N 428.528 6.471 30 10 IKEE CSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1c(F)cccc1Cl 2325911025 DHSFWZOOVUYMRX-UHFFFAOYSA-N 445.734 5.561 30 10 IKEE CCCc1nnc(SCc2ccccc2)n1N=Cc1cc(Cl)c(OC)c(OC)c1 2326220456 BFHDEJVAZAAWJQ-UHFFFAOYSA-N 430.961 5.076 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCC)n1N=Cc1cccc(Cl)c1 2326458416 SWCVXLMEYLBGJE-UHFFFAOYSA-N 428.945 5.070 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc(OC(C)C)cc1 2326697883 VDYWMYJVHUMOAX-UHFFFAOYSA-N 435.380 5.855 30 10 IKEE Cc1ccc(CSc2nnc(CCCOc3cccc(C)c3)n2N=Cc2ccco2)cc1 2326966738 XRDQYYOOWNYXBQ-UHFFFAOYSA-N 446.576 5.674 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2C)n1N=Cc1c[nH]c2ccccc12 2327112701 OXWSMTMBSUNKFH-UHFFFAOYSA-N 431.565 5.240 30 10 IKEE Cn1cccc1C=Nn1c(CCc2ccccc2Cl)nnc1SCc1ccccc1 2327956887 UCTHWCMIPWAROZ-UHFFFAOYSA-N 435.984 5.230 30 10 IKEE C=CCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1cccc2ccccc12 2328499725 FKDLFLAGKWALMJ-UHFFFAOYSA-N 429.505 5.091 30 10 IKEE Cc1cccc(CSc2nnc(CCCOc3ccccc3)n2N=Cc2ccc[nH]2)c1 2328723930 YIJPBWDJDRRKBC-UHFFFAOYSA-N 431.565 5.101 30 10 IKEE COc1cccc(C=Nn2c(Cc3ccc(Cl)cc3)nnc2SCc2ccccc2)c1 2329101148 UKXMVPZTUKRLCG-UHFFFAOYSA-N 448.979 5.705 30 10 IKEE C=C(C)CSc1nnc(COCc2ccccc2)n1N=Cc1ccc(C(C)(C)C)cc1 2329341352 RDORFNAFBFJBBN-UHFFFAOYSA-N 434.609 5.843 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2cccc(O)c2)cc1C 2329395632 YMDMXEFDGWFNSU-UHFFFAOYSA-N 442.588 5.674 30 10 IKEE Cc1ccccc1CCc1nnc(SCCCO)n1N=Cc1ccc(Cl)c(Cl)c1 2329509932 JRYXQSVCZRAFOF-UHFFFAOYSA-N 449.407 5.035 30 10 IKEE COc1cccc(C=CC(=O)Nc2ccc(Cl)c(NC(=O)c3cccc(C#N)c3)c2)c1 2329750598 KSFOCRSBXOTZLZ-UHFFFAOYSA-N 431.879 5.124 30 10 IKEE CCCSc1nnc(CCc2ccccc2)n1N=Cc1ccc(OC(C)C)c(OC)c1 2330206361 RVOHOTQKQPVMQR-UHFFFAOYSA-N 438.597 5.243 30 10 IKEE CCOc1cccc(C=Nn2c(Cc3cccs3)nnc2SCc2ccc(C)cc2)c1 2330316694 ANESBJTUCGHSOC-UHFFFAOYSA-N 448.617 5.812 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3cccs3)n2N=Cc2ccccc2[N+](=O)[O-])c1 2330583125 IVNYJHPQQCYJHQ-UHFFFAOYSA-N 449.561 5.706 30 10 IKEE CCOc1cc(C=Nn2c(SCc3ccccc3F)nnc2-c2ccccc2)ccc1O 2330674922 LDAZIMHLXUWRKC-UHFFFAOYSA-N 448.523 5.363 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3ccc(C)cc3)c(OC)c2)cc1 2330737791 HISMUXOFOPKGAZ-UHFFFAOYSA-N 434.919 6.335 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3cccs3)c(OC)c2)c1 2330773223 QYLLORIQOXMMFZ-UHFFFAOYSA-N 428.893 5.534 30 10 IKEE Fc1ccc(CSc2nnc(C3CCCC3)n2N=Cc2cccc3ccccc23)cc1 2331033128 MQQVJZCGCFHYJW-UHFFFAOYSA-N 430.552 6.403 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)cc(Cl)c1OC(=O)c1cccnc1 2331069365 JEOFQRLHBFOMEZ-UHFFFAOYSA-N 437.879 5.258 30 10 IKEE Oc1ccccc1C=Nn1c(SCc2cccc3ccccc23)nnc1C1CCCC1 2331084096 FGJMFCJKJQVGPT-UHFFFAOYSA-N 428.561 5.969 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3F)cc2Cl)cc1 2331087258 NZUHSNDWDRSSRR-UHFFFAOYSA-N 426.846 5.971 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2OC)cc1 2331331025 QBFGTXFLHPHJQN-UHFFFAOYSA-N 442.555 6.309 30 10 IKEE CC(C)Cc1nnc(SCc2cccc(Cl)c2)n1N=Cc1cccc2ccccc12 2331470749 HOKJNQDFUHTULI-UHFFFAOYSA-N 434.996 6.458 30 10 IKEE Cc1ccsc1C(=O)Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1[N+](=O)[O-] 2331473915 ONUNSTCKMRQDAF-UHFFFAOYSA-N 443.480 6.233 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C(C)C)cc1 2331708531 UDVXGWOOHWKBDF-UHFFFAOYSA-N 447.435 7.006 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)ccc1OC(=O)c1ccccc1 2331761421 BJYJWAUYHMNMIB-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE CC[C@H](CCCNC(=O)OC(C)(C)C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339582132 ORURWDCUTUOGAS-JUWJPQTCSA-N 446.397 5.189 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](O)c1c(C)c(C)c(Br)c(C)c1C 2345947141 UMCDWQQQLXJCLZ-LPHOPBHVSA-N 426.395 5.576 30 10 IKEE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc3c(c1)OCO3)C1=C(CC(C)(C)CC1=O)N2 1035418 ZSKLXMMSOGSKHI-QHCPKHFHSA-N 427.504 5.110 30 10 IKEE CCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(N(CC)CC)cc1 6720432 ZGGNOOHKJBNGBI-HHHXNRCGSA-N 431.580 5.840 30 10 IKEE C=CCN(C(=O)[C@H](C)Oc1ccccc1-c1nnc(-c2ccccc2)o1)c1ccccc1 15733518 MVQSRWDLEALRBD-IBGZPJMESA-N 425.488 5.390 30 10 IKEE CC(C)COc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(C(C)(C)C)cc2)C3)cc1 21256040 FWQHCRIZJBHFTG-ZJSXRUAMSA-N 445.603 6.023 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccnc2)cc1OC 21259018 OSMITFMLMMZZSL-PPHZAIPVSA-N 441.531 5.468 30 10 IKEE Cc1cccc(NC(=O)[C@@]23CC[C@@](C)(/C(=N/OC(=O)c4ccc(Cl)cc4)C2)C3(C)C)c1 33960528 SVVCUKRDOCONHS-OVZGRCFESA-N 438.955 6.016 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2Cc2ccccc2)c1 35444642 FUGNRLJSNVXWFJ-VNBGQBMQSA-N 439.511 5.263 30 10 IKEE C=CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C(C)C 36345868 FVSAQSHNHLOKBT-XMMPIXPASA-N 449.595 5.055 30 10 IKEE C=CCC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC1CC1 36346429 XQJYAKQRUAOBBO-XMMPIXPASA-N 449.570 5.651 30 10 IKEE C=CCc1ccccc1OCc1nc2ccccc2n1CC(=O)N(c1ccccc1)C(C)C 39907150 GPUYINVPTCTFBM-UHFFFAOYSA-N 439.559 5.785 30 10 IKEE O=C1/C(=C/c2ccccc2F)S/C(=N/N=C\C=C\c2ccccc2)N1Cc1ccco1 47138773 KABWHWKATCWJBJ-FUICBCCCSA-N 431.492 5.590 30 10 IKEE CSc1ccc(/C=C/C(=O)c2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2)cc1 59487616 TYVDRZMIXWGZCL-YIXHJXPBSA-N 444.468 5.013 30 10 IKEE C(=N/c1ccccc1-c1ccccc1)\c1ccc(/C=N/c2ccccc2-c2ccccc2)cc1 59522316 BJSYDQFVUHRXHM-IENBMRAWSA-N 436.558 8.522 30 10 IKEE O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1ccc(Cl)cc1Cl)c1c(O)n[nH]c1N2 98036612 OSLRUHKYCJWBAF-ABKXIKBNSA-N 432.332 5.442 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)C(c1ccccc1)c1ccccc1 100061198 HARAJZZMNYICTB-UHFFFAOYSA-N 435.696 8.416 30 10 IKEE CCN1C(=O)/C(=C/c2cccc(OCc3ccc(C)cc3)c2)S/C1=N/c1cccnc1 101124777 QDVCHOORNYNVNU-GOESLVMASA-N 429.545 5.593 30 10 IKEE O=c1cc(-c2ccccc2)nc(N/N=C\c2ccc(OCc3ccccc3)c(Cl)c2)[nH]1 169896934 PRQQPLQMKBAWCW-YSMPRRRNSA-N 430.895 5.115 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2cc(C)ccc2C)c1 169933187 CVPIKCYSJPFHBF-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE O=C1CCCC2=C1[C@H](c1ccccc1OCc1ccc(Cl)c(Cl)c1)NC(=S)N2 169938937 JTKXILGPBAYKHR-FQEVSTJZSA-N 433.360 5.098 30 10 IKEE Cc1sc(N/N=C\c2ccc(OCCCc3ccccc3)cc2)nc1-c1ccccc1 169943037 BANICKYKLUHEHP-DIBXZPPDSA-N 427.573 6.576 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccc(O)cc2)c(C)c1 169958791 YTNRXSTYYHANPP-DEOSSOPVSA-N 443.499 5.109 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccc(O)cc2)c1 169961295 QTQUGHPXDXFSGV-QFIPXVFZSA-N 433.891 5.445 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@H]2c2cccc(C)c2)c1 169966578 RFMHCGREINGPLC-XMMPIXPASA-N 443.499 5.185 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccncc2)cc1 170016549 VZILQCLBNMWGBU-SANMLTNESA-N 448.522 6.141 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)C)cc2)[C@H]1c1ccncc1 170016829 WVSXHMKFDZLVFC-QHCPKHFHSA-N 446.478 5.136 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2c2ccccc2C)cc1 170029846 DLIIXVGUGKYQHA-VWLOTQADSA-N 441.527 5.739 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccccc2)cc1 170049079 XKLJDOHAQJZGCZ-SANMLTNESA-N 425.528 5.912 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 170062866 NERVDFGTAWKFQV-HXUWFJFHSA-N 442.273 5.915 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccccc2C)cc1 170088908 KTDOWYYOWGXFGG-RUZDIDTESA-N 427.500 5.106 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2C2CCCCC2)c1 170119251 WPTUCOVGPYHAFM-HSZRJFAPSA-N 431.488 5.352 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C(C)(C)C)ccc3C)[C@@H]2c2ccncc2)c1 170200879 BIJXPOYWPVMTSW-DEOSSOPVSA-N 440.543 5.779 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccccc2)cc1 170223788 GYPUTRNDAOGWIG-XMMPIXPASA-N 427.500 5.485 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccc(Cl)c(Cl)c1 170246671 KOTDVEQDTYAPEH-FKIZINRSSA-N 446.330 5.305 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cc(OC)ccc3OC)=C(O)C(=O)N2c2ccccc2)cc1 170265373 YFTSUVYTFBMFDH-XMMPIXPASA-N 443.499 5.049 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2C)cc1 170269918 ISMZMGAWVPCPDR-HSZRJFAPSA-N 447.556 5.624 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1c1ccccc1O 170271862 NPRPFJBBGHCJFG-XMMPIXPASA-N 443.499 5.271 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccc(C)o2)c1 170304451 VXWFOBBAAINHOM-XMMPIXPASA-N 443.499 5.264 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(N3CCCCC3)cc2)[C@@H]1c1ccccc1)c1cccs1 170371379 KVHZDWLBRVEWPL-HSZRJFAPSA-N 444.556 5.521 30 10 IKEE CCCOC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)c1 170372967 GFWGVJLFWPQIOC-HSZRJFAPSA-N 441.483 5.036 30 10 IKEE CSc1ccc(/C=C2\SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1 252623370 OPLJQUSNFAWQNM-ZYITZIQLSA-N 430.598 6.834 30 10 IKEE CN=c1scc(-c2ccc(-c3ccccc3)cc2)n1N=Cc1ccccc1Br 254311459 QJEFOMFQMHCPGM-UHFFFAOYSA-N 448.389 6.059 30 10 IKEE C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1CCC2=NN=Cc1cccc(Cl)c1Cl 263630939 KAZZDRRNZVOQBJ-YCFYUYSTSA-N 441.402 7.030 30 10 IKEE N#C[C@@H](Nc1ccc(Cl)c(Br)c1)c1cccc(I)c1 306106809 SUDFYOXKTGXGLQ-CQSZACIVSA-N 447.501 5.384 30 10 IKEE CC(C)COc1cccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 526489285 QFRABIKYNKYTNN-VWLOTQADSA-N 442.490 5.789 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(C(C)C)cc2)c1 526490831 ZUKVHZMWPCGUKR-SANMLTNESA-N 438.527 6.138 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 526515280 JKKNOPIZTFHMQF-VWLOTQADSA-N 438.527 5.922 30 10 IKEE CCOc1cccc([C@H]2C(c3cccc(OC)c3)=C(O)C(=O)N2c2cccc(C#N)c2)c1 526516168 NOFXWTIIXGJVKT-DEOSSOPVSA-N 426.472 5.023 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2ccc(Br)cc2)c1 526518186 XEJHIGSBYVZBPE-LJQANCHMSA-N 437.318 5.439 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccccc2C(=O)O)cc1 526805150 GZATXTQYXUOBSN-QQXSKIMKSA-N 442.544 5.050 30 10 IKEE C=CCCN(c1ccc(N2CCCC2)cc1)S(=O)(=O)c1ccc(CCCCCC)cc1 586232789 GPBXSUCUUDQORJ-UHFFFAOYSA-N 440.653 6.181 30 10 IKEE N#Cc1c(NC(=O)COc2ccc3nc(-c4ccccc4)oc3c2)sc2c1CCCC2 586474293 GYMGDWBRDNBIDI-UHFFFAOYSA-N 429.501 5.324 30 10 IKEE Cc1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)ccc1Br 698832616 RCPCYEMPVXCXAD-GOSISDBHSA-N 435.749 6.417 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@H](C#N)c1cc(Br)ccc1F 698867527 RGPMNINBSDOCIN-MRXNPFEDSA-N 425.323 5.652 30 10 IKEE COc1ccc(C=Nc2cccc3c(N=Cc4ccc(OC)c(O)c4)cccc23)cc1O 1083944099 DDSISHSODQWGMX-UHFFFAOYSA-N 426.472 5.769 30 10 IKEE Cc1cc(C)cc(N=C2C(=O)N(CN3CCC(Cc4ccccc4)CC3)c3ccccc32)c1 1084322298 JROKBDYPFBQXLA-UHFFFAOYSA-N 437.587 5.683 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=Nc1ccccc1 1084420468 QSZMDHXFLDWPAM-IRZHRRCCSA-N 431.473 5.645 30 10 IKEE Oc1cccc(C=Nc2ccc(Oc3ccc(N=Cc4cccc(O)c4O)cc3)cc2)c1O 1084424349 IGHMQFDCTMBJCZ-UHFFFAOYSA-N 440.455 5.803 30 10 IKEE Cc1cc(O)ccc1N/C(=N/CCCN1CCCC[C@@H]1C)NCc1ccccc1Cl 1088652495 WORLWYTVCQYKLR-IBGZPJMESA-N 429.008 5.176 30 10 IKEE Cc1ccccc1C[C@@H]1SC(=Nc2ccc(C(=O)O)cc2)N(CCc2ccccc2)C1=O 1772728241 ZHBUQMXLVIGPOM-QHCPKHFHSA-N 444.556 5.110 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=Nc1cccnc1Cl 1772735564 HZTKXAVQUGYQJY-PUYZJMEQSA-N 430.316 5.882 30 10 IKEE CCOc1cc(/C=C2/SC(=Nc3cccc(C)n3)N(C3CCCCC3)C2=O)ccc1O 1772737895 PZHYSEULPMCPML-LLLXPECQSA-N 437.565 5.431 30 10 IKEE CCN1C(=O)/C(=C(\C)c2ccc(C)c(C)c2)SC1=Nc1nc(-c2ccccc2)cs1 1772738860 RNIKORPMDKISIE-DXDYQIQDSA-N 433.602 6.441 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(OCCCC)c(OC)c2)SC1=Nc1nc(C)cs1 1772738912 PMBQIUFDULQWQJ-GIFQUSADSA-N 443.594 5.429 30 10 IKEE Cn1cccc1/C=C1\SC(=Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C1=O 1772742882 GPVIUJYRJXIINV-YNUQAMOLSA-N 428.344 6.141 30 10 IKEE O=C1/C(=C\c2ccccc2F)SC(=NN=C/C=C/c2ccccc2)N1Cc1ccco1 1772759028 KABWHWKATCWJBJ-DVWOGCAPSA-N 431.492 5.590 30 10 IKEE N#CCc1c(-c2ccc(OC(F)(F)F)cc2)cncc1-c1ccc(OC(F)(F)F)cc1 1848361875 OOPALBAGJLJDSS-UHFFFAOYSA-N 438.327 6.279 30 10 IKEE N#Cc1ccc(NC(=O)c2nn(Cc3ccccc3F)c(-c3ccc(F)cc3)c2Cl)cc1 1859385599 YAYSAZIXQIDCOI-UHFFFAOYSA-N 448.860 5.654 30 10 IKEE Cc1cccc(-c2nc(-c3ccc4c(c3)oc(=O)n4C(=O)c3cccc(C#N)c3)cs2)c1 1860471622 CWUQNWHAWLHRNF-UHFFFAOYSA-N 437.480 5.254 30 10 IKEE N#Cc1cccc(C(=O)N2CCC(c3ccc(OC(=O)OCc4ccccc4)cc3)CC2)c1 1860707106 XUVSQGFWNOJGJV-UHFFFAOYSA-N 440.499 5.294 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)c1cc2ccccc2n1C)c1ccccc1 1861393506 VSMRLSKKUUJTTH-AREMUKBSSA-N 447.623 5.906 30 10 IKEE N#Cc1ccccc1NC(=O)c1cc(CCc2ccccc2)n(-c2cccc3ccccc23)n1 1862327642 DLFFJPKWXSEOBU-UHFFFAOYSA-N 442.522 5.935 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1cccc(OCCC)c1 1862418861 NLZGFSNQXJNOLI-QFIPXVFZSA-N 443.490 5.522 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@@H]1c1ccc(O)cc1)c1ccccc1Cl 1862430990 WXHFUIHQBQCNTA-HSZRJFAPSA-N 447.918 5.257 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862461362 CVKCGLFQLKRJDB-YEJXKQKISA-N 447.453 5.270 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCCC2)c1 1862480019 VVUSKYTZTOSVRW-XMMPIXPASA-N 433.548 5.695 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)c1 1862492504 SZOUQYWQPINCRG-JOCHJYFZSA-N 434.492 5.123 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(F)cc1 1862501523 DVOALGIJARZBDR-REWPJTCUSA-N 441.518 6.210 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862583361 ZGLWOYFWZMFAIC-ZUOKHONESA-N 448.346 5.769 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccccc2C)cc1F 1862638886 MRBYTGSQXFEQGI-HSZRJFAPSA-N 437.511 5.444 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C(C)C)cc3)[C@H]2c2ccccc2)c1 1862660282 JREIDWYJQGBKCD-RUZDIDTESA-N 425.528 5.897 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2cc(Cl)cc(Cl)c2)cc1 1862667523 DJNKAPLGUMJTSZ-HXUWFJFHSA-N 430.331 5.858 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2cccc(Cl)c2)cc1 1862689801 ZUTKDPITZQTLQB-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1cccc2ccccc12 1862704911 LMOCKNCXQCJPPS-VWLOTQADSA-N 443.543 6.007 30 10 IKEE N#Cc1ccccc1NC1=C(c2ccccc2Cl)C(=O)N(c2ccccc2Cl)C1=O 1863079951 NPQRVCHFACTGFC-UHFFFAOYSA-N 434.282 5.262 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(F)cc2F)C(=O)N(CCCCC)C1=O 1863655909 HOYBCXQGTMHRRX-UHFFFAOYSA-N 434.571 5.965 30 10 IKEE CC(C)c1ccc(/C=C/C(=O)Nc2c(Br)cc(C#N)cc2Br)cc1 1865907044 AOUIMSQYCZWXBO-VMPITWQZSA-N 448.158 5.859 30 10 IKEE CCC[C@@H](NC(=O)[C@@H](c1ccc(Cl)cc1)C1CCCC1)C(=O)Nc1ccc(C#N)cc1 1867005151 KBSQPDPSGJOXRS-DHIUTWEWSA-N 437.971 5.409 30 10 IKEE CCCCCCCCCCNC(=O)c1cn(-c2ccc(OCCCC)cc2)c(=O)cc1O 1870133239 PUNCVZUYXPAIRU-UHFFFAOYSA-N 442.600 5.593 30 10 IKEE CC(C)(C)c1ccc(C(=O)Nc2c(C#N)nnn2-c2ccc(Nc3ccccc3)cc2)cc1 1870157828 LHCQGDMEBFAFJM-UHFFFAOYSA-N 436.519 5.432 30 10 IKEE C=CCn1cc(OCc2ccc(OC)c(F)c2)c(=O)cc1CSCc1ccccc1 1870242976 WLBMSRHWSBYHFT-UHFFFAOYSA-N 425.525 5.194 30 10 IKEE CCCCCCCCn1cc(OCc2n[nH]c(=N)s2)c(=O)cc1CSC(C)(C)C 1870308151 SRRGWOWQQBEAIL-UHFFFAOYSA-N 438.663 5.084 30 10 IKEE N#Cc1ccc(COc2cn(CCC3=CCCCC3)c(CN3CCCCC3)cc2=O)cc1 1870350539 KQTQFVQLARLYEE-UHFFFAOYSA-N 431.580 5.175 30 10 IKEE CCCCCCCCn1cc(OCc2ccc(F)cc2)c(=O)cc1CN1CCCCC1 1870625856 WLTGYRBZDWNWTA-UHFFFAOYSA-N 428.592 5.913 30 10 IKEE C=CCOc1cn(CCCCN(CC)CC)c(CNc2ccc(Cl)c(C)c2)cc1=O 1870813118 XHNXPVPFFHBHDK-UHFFFAOYSA-N 432.008 5.109 30 10 IKEE CCCCCCCCn1cc(OCCC)c(=O)cc1CNc1cccc(C(F)(F)F)c1 1871105013 BXXHPCKDQSGDKC-UHFFFAOYSA-N 438.534 6.629 30 10 IKEE Cc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(CCCCc3ccccc3)C4)C2=O)cc1 1871359955 MBWWWFWWUJGWTH-QQXSKIMKSA-N 439.555 6.094 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc2c(c1)O/C(=C\c1sccc1C)C2=O 1871369803 ZDTFRTJJUAYIMQ-JCMHNJIXSA-N 434.513 5.746 30 10 IKEE CCCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871378363 IVALIACPEGNIDS-DRRXUYRYSA-N 444.483 5.920 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O)c1cccc(Oc2ccccc2)c1 1871379292 PSISIOQECLDNSD-QQXSKIMKSA-N 434.447 6.314 30 10 IKEE Cc1c(O[C@@H](C)C(=O)OC(C)C)ccc2c1O/C(=C\c1ccc(Br)cc1)C2=O 1871400821 MCEHCDHNKSXJLP-KVMVOAJRSA-N 445.309 5.093 30 10 IKEE CCc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2cccc(OC)c2)C3=O)cc1 1871454588 SKPDRXCBDMIJKD-IWIPYMOSSA-N 443.499 5.200 30 10 IKEE Cc1cccc(COc2cc(C)c3c(c2)O/C(=C\c2ccc(Cl)c(Cl)c2)C3=O)c1 1871455600 WAXDMZIEBIMSSO-JJFYIABZSA-N 425.311 6.805 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2cc(C)c3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)c1 1871460244 BUPXPNIXGSHUAC-MCBOVYRESA-N 439.511 5.802 30 10 IKEE CCCCCCCCCCN=c1nc(N(CCC)CCC)[nH]c(=Nc2ccccc2)[nH]1 1871601940 VKMPDRPBZDPWSJ-UHFFFAOYSA-N 426.653 5.638 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(=O)(=O)C1CC1 1872215441 AMJKDFCBAQSGRC-XMMPIXPASA-N 440.609 5.140 30 10 IKEE CC(=O)Oc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 1872759077 CWGDXGFIGYOFNW-QHCPKHFHSA-N 438.508 5.892 30 10 IKEE CC(C)c1ccc(O[C@H](C)C(=O)[C@H](C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 1872760689 VRJWNEMBVCODIM-QRWLVFNGSA-N 435.505 5.485 30 10 IKEE CCCCCCCOc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(C)cc3)n2)cc1 1872776770 XFAUXJOQHUJZIH-XMMPIXPASA-N 446.616 6.887 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(C)c(C)c3)n2)c(OCC)c1 1872783542 CFEPDOJQIHXGGG-NRFANRHFSA-N 434.561 5.643 30 10 IKEE CC(C)(C)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 1872787429 JNFUUCZDCLJEND-QGZVFWFLSA-N 429.372 6.904 30 10 IKEE CCCCCCCCCCNC1=C(c2cccs2)C(=O)N([C@H](CC)CCCCC)C1=O 1873155653 BOHJPFDMLXAAII-OAQYLSRUSA-N 446.701 6.917 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc3c(c2)OCCO3)=C(c2ccc(C)cc2)C1=O 1873367720 JTUGDEPPMWFTCR-UHFFFAOYSA-N 448.563 5.319 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C(C)=O)cc2)=C(c2ccccc2OC)C1=O 1873399090 TXYMNILNTWQOLX-UHFFFAOYSA-N 448.563 5.450 30 10 IKEE FC(F)(F)c1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1cnc2ccccc2n1 1873500178 HZEZGLVBENYWNU-KIBLKLHPSA-N 448.861 5.068 30 10 IKEE CCCCCCCCCCNc1ncnc2c1ccc(=O)n2-c1ccc(Cl)cc1C 1873542032 GFECEQGINMNZGL-UHFFFAOYSA-N 426.992 6.295 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccccc1)n2CC(C)C 1873628954 CFMBMGGRZGZTSO-UHFFFAOYSA-N 449.643 6.892 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)Nc1cc(C)ccc1C)n2CC 1873629196 QJDQGBDPTBFJEO-UHFFFAOYSA-N 449.643 6.873 30 10 IKEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3cccc4ccccc34)c(=O)oc2c1 1873905694 VWFJATFXIVAQFV-UHFFFAOYSA-N 427.500 5.781 30 10 IKEE CSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1c[nH]c2ccccc12 1874198076 MUKQONPGJHDHPY-WPWMEQJKSA-N 441.560 5.528 30 10 IKEE C=C(C)CSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(N(C)C)cc1 1874269795 OKPIRUOHOCUVCW-WPWMEQJKSA-N 441.604 5.639 30 10 IKEE Cc1cccc(/C=N/n2c(Cc3ccc(Cl)cc3)nnc2SCCc2ccccc2)c1 1874342703 DWCXCQCIBBEECS-OVVQPSECSA-N 447.007 6.048 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2/N=C/c2ccncc2)cc1 1874356133 UDOURDUAQJAOFJ-JVWAILMASA-N 427.577 5.364 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccccc1O 1874401544 PSIMHJWXLPLWGH-AEIQVQRHSA-N 448.979 5.963 30 10 IKEE Fc1ccccc1/C=N/n1c(CC2CCCCC2)nnc1SCc1ccc(Cl)cc1 1874408722 MLHOBWSFGAXDNW-CVKSISIWSA-N 442.991 6.368 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2[C@@H]2CCCO2)cc1 1874449830 MNTUCPDKVGSBBO-WGLQLPMYSA-N 432.524 5.596 30 10 IKEE Clc1ccc(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2c[nH]c3ccccc23)cc1 1874449899 OGSYFEZOPQYKQF-HMHIXTCJSA-N 437.956 5.439 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2ccc(C)cc2)nnc1C1CCCC1 1874451878 SUBAZEOHEIYVEZ-YZSQISJMSA-N 434.609 6.207 30 10 IKEE CCCCc1nnc(SCc2ccccc2C)n1/N=C/c1ccc(C(F)(F)F)cc1 1874474977 CMAMNVJGMTWSHC-VULFUBBASA-N 432.515 6.122 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1/N=C/c1ccc(CC)cc1 1874476137 DPZBXOCEGNEQGO-PCLIKHOPSA-N 435.597 5.105 30 10 IKEE CCCOc1ccccc1/C=N/n1c(CC(C)C)nnc1SCc1ccccc1Cl 1874489621 AYEJSDAMEUOAEA-MFKUBSTISA-N 443.016 6.093 30 10 IKEE C=CCSc1nnc(CC(C)C)n1/N=C/c1ccc(OCCCCCC)c(OC)c1 1874490411 PDIGPCCYUQOZNV-JJIBRWJFSA-N 430.618 5.605 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/n2c(S)nnc2C(C)(C)C)cc1OCC 1874559467 TUXFJZNYQBEGMP-XIEYBQDHSA-N 446.661 6.275 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1OCc1ccc(F)cc1 1874570004 MKXLGLPWLTWLEC-JXMROGBWSA-N 441.842 5.871 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2c(F)cccc2Cl)c1 1874572194 ANUNYSXWXQAXIP-CSKARUKUSA-N 431.290 6.616 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)NCc2ccccc2)cc1C 1874587825 GYDLSHYMULKIEG-ZRDIBKRKSA-N 433.935 5.548 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Br)c2)c(Br)c1OC 1874594963 MZQKOPWUYDTHRU-SOFGYWHQSA-N 426.104 5.125 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OCCc3ccccc3)c(OC)c2)cc1OC 1874603167 NRWFOWPIUHNIPA-ZRDIBKRKSA-N 448.515 5.239 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OCC(=O)Nc1c(C)cccc1C 1874614838 SIFFALPCNIJCQC-BUHFOSPRSA-N 445.515 5.234 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1cc(C)cc(C)c1 1874616897 ZDAYAYGTVPBBDP-XYOKQWHBSA-N 443.543 5.924 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3cc(C)cc(C)c3OC)cc2)cc1 1874629754 SBYNPLHHUPWHQY-XNTDXEJSSA-N 443.543 5.788 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)c(C)c1 1874634315 WCQQFUYDKYZBDE-VQHVLOKHSA-N 425.355 7.394 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@@H]3CCCO3)c2)cc1 1874708724 QZTJNWFBUVOPAK-QINABFTKSA-N 436.548 6.016 30 10 IKEE C=CCN(CC=C)CCC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C(C)C)cc2)cc1 1874753179 RQPPURDXWZNLOG-NRFANRHFSA-N 434.580 5.463 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2cc(Cl)ccc2Cl)CSc2nncn21 1874819473 RQUXPOSATBZZLD-KRWDZBQOSA-N 427.401 5.647 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1Cl 1875087566 APAYGTGGCUJNTJ-PKNBQFBNSA-N 437.835 5.372 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Br)c(OC(=O)CC(C)C)c(OC)c2)c1 1875101034 NINIROIVABZSBU-CMDGGOBGSA-N 447.325 5.314 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(OC)c1OC(=O)c1cccs1 1875102093 YKCXWAKAIZYUAK-SDNWHVSQSA-N 432.541 6.163 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)cc3)c(Cl)c2)cc1 1875106820 MJRWIKFDSPEBAN-MHWRWJLKSA-N 432.947 7.106 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)Cc1ccccc1OC 1875119719 JDYIVDBGBOCHTN-FYWRMAATSA-N 446.499 5.147 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(F)c3)cc2Cl)cc1C 1875162100 WYZCTKZISBECKS-WEVVVXLNSA-N 440.873 6.279 30 10 IKEE CC1(C)OB(C2=CCCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)OC1(C)C 1879976073 USDMVKWBGJAUTI-UHFFFAOYSA-N 431.341 5.199 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C2(CC2)C1 1880303683 JQAYTZNNBQUETR-RUZDIDTESA-N 441.572 5.107 30 10 IKEE O=C(Nc1cc(C(F)(F)F)ccc1F)N1CCN(c2cccc(C(F)(F)F)c2)CC1 1891502149 STVTYLQMFAHWNX-UHFFFAOYSA-N 435.343 5.217 30 10 IKEE C=CCNC(=O)c1nc(C(=O)Nc2cccc(-c3csc(-c4ccccc4)n3)c2)cs1 1891735634 NGSXNWMGIBZACL-UHFFFAOYSA-N 446.557 5.102 30 10 IKEE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 1949706305 GISKRVSFYVXUBL-ACWUQQCTSA-N 425.617 5.607 30 10 IKEE Cc1cccc(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 1950025309 DZKRNGCCWLBZSR-ROMRWMGNSA-N 427.545 5.028 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)C1C[C@@H]2C[C@H]2C1 2004668377 PUZDBZLUPRAJCA-HIGZBPRKSA-N 428.617 5.067 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)[C@H]1C(C)(C)C 2020136248 JXKLODNLMZPVIT-HOYKHHGWSA-N 435.609 5.484 30 10 IKEE CCCCCCCCCC[C@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NC 2035471391 VOZHMKMFTWMSFD-JWQCQUIFSA-N 448.692 6.605 30 10 IKEE O=C(CCCSc1ccccc1)Oc1ccccc1C=CC(=O)c1cc2ccccc2o1 2040437570 YIVXHAMGCGZPCD-UHFFFAOYSA-N 442.536 6.807 30 10 IKEE CC1(C)OB(c2cc(C(F)(F)F)cc(C(F)(F)F)c2OCc2ccccc2)OC1(C)C 2081211655 ZBKYUXDMLCAHKQ-UHFFFAOYSA-N 446.196 5.602 30 10 IKEE CCCCCC#CC[C@@H](NCCC)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2083431204 QQZPTKFFVSAORP-JWQCQUIFSA-N 443.676 5.354 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@H](C#N)c1c(Cl)cccc1Br 2094994766 LLDCWGWBONXWOO-MRXNPFEDSA-N 439.712 6.248 30 10 IKEE C=CCN(C[C@@H](Cc1ccc(Cl)c(Br)c1)NCCC)C(=O)OC(C)(C)C 2110503462 KCEBJCYSVHOMBY-MRXNPFEDSA-N 445.829 5.436 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@]2(CNc3ccc(C#N)cc3Br)CCC[C@@H]12 2165307805 TVPZMMCVTQXKCE-NQIIRXRSSA-N 434.378 5.302 30 10 IKEE C[C@H]1CCCN(c2ccc(Br)cc2C#N)[C@H]1CCCNC(=O)OC(C)(C)C 2174807608 DOQNXFMBYGYMJE-YJBOKZPZSA-N 436.394 5.231 30 10 IKEE C=CCCCCCCC[C@@H](CCCN(Cc1ccccc1)C(=O)OC(C)(C)C)NCC 2214619792 WPVYNLIKPBWJTC-VWLOTQADSA-N 430.677 7.099 30 10 IKEE Cc1sc([C@H](C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)c(Br)c1C 2215902851 SJJOJYYPFUGUDE-JTQLQIEISA-N 427.286 5.492 30 10 IKEE C=CCCC[C@@H](NCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229122484 KGPDOWSXXRZMHZ-MOPGFXCFSA-N 425.411 5.219 30 10 IKEE C=C1CC(C[C@H](NCC)[C@@H](Cc2cccc(Br)c2)NC(=O)OC(C)(C)C)C1 2237403295 TUNDRRNGIDGTSI-VQTJNVASSA-N 437.422 5.219 30 10 IKEE CC(C)(C)OC(=O)NC[C@@]1(C)CCC[C@@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 2241895607 YWSLFIKHWTYJFY-RPBOFIJWSA-N 443.588 5.401 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@]1(NC(=O)OC(C)(C)C)C[C@@H]2CCCC[C@@H]21 2250725935 KLERPAVUECNLHS-HZLPDVBGSA-N 428.617 5.211 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](C2CC(C#N)(N(C(=O)OC(C)(C)C)c3ccccc3)C2)C1 2254324055 QAAFYUAMSWRPNN-ONSGGECDSA-N 441.572 5.357 30 10 IKEE C=CC[C@@H](C)[C@@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2262775653 ISLQOCVMHYHBNZ-SKCUWOTOSA-N 431.576 6.073 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](N)c2cc(Br)cc(C(C)(C)C)c2)C1 2288660111 FRLCROTYIGPPBU-GOSISDBHSA-N 437.422 5.608 30 10 IKEE C=CCC[C@H](C)[C@@](C)(OCC(=O)O)c1cc(Br)c(Br)s1 2291003330 HJXHBQSQBMGPPO-LKFCYVNXSA-N 426.170 5.192 30 10 IKEE COc1ccc(C(=O)Oc2ccc(Br)cc2C(=O)C=Cc2cccs2)cc1 2295993272 BQEBJAIPMNWHPI-UHFFFAOYSA-N 443.318 5.635 30 10 IKEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccccc2)cc1 2296136091 PSLUQRXRSBXHTG-OAQYLSRUSA-N 444.487 5.370 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)CC(C)(C)N(C)C(=O)OC(C)(C)C 2296270881 BUFRPKDFMKDBBI-LJQANCHMSA-N 437.422 5.204 30 10 IKEE CC(C)Oc1ccc(C(O)=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(Cl)cc2)cc1 2296932760 LPVSOYZFSIQTAP-JOCHJYFZSA-N 448.906 5.149 30 10 IKEE COc1cc(C=C2SC(=Nc3ccc(C)c(C)c3)NC2=O)ccc1OCc1ccccc1 2313670830 ZBQZNXFQXPPZIZ-UHFFFAOYSA-N 444.556 5.783 30 10 IKEE Cc1cccc(CSc2nncn2N=Cc2ccc(OCc3ccccc3C)cc2)c1 2321250732 GYUWQLXXFTZCLS-UHFFFAOYSA-N 428.561 5.648 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)c1 2321298809 WSFHZGKOEKHGGS-UXHICEINSA-N 441.572 5.418 30 10 IKEE Cc1cc(OCCCc2nnc(S)n2N=Cc2ccccc2Cl)cc(C)c1Cl 2322286319 KJHCFWVQBUDQOJ-UHFFFAOYSA-N 435.380 5.384 30 10 IKEE CCCCCCN1COc2c(cc3c(c2C)OC(=Cc2cn(CC)c4ccccc24)C3=O)C1 2322362820 YAPLDRNHRSXZGO-UHFFFAOYSA-N 444.575 6.318 30 10 IKEE Cc1ccccc1COc1ccc(Br)cc1C=CC(=O)c1ccc(Cl)cc1 2322528383 OIUBHFKXSKTSKY-UHFFFAOYSA-N 441.752 6.886 30 10 IKEE Cc1ccc(C(=O)C=Cc2c(OCc3ccc(Cl)cc3)ccc3ccccc23)c(C)c1 2322570113 WBVSYNCYTKGBTJ-UHFFFAOYSA-N 426.943 7.585 30 10 IKEE Cc1c(OC(=O)c2ccc(Br)cc2)ccc2c1OC(=Cc1cccs1)C2=O 2322708270 BWTMYFSBMOBKLN-UHFFFAOYSA-N 441.302 5.654 30 10 IKEE CCc1ccccc1NC(=O)COc1ccccc1C=CC(=O)c1cc(C)cc(C)c1OC 2322845640 QUUFSJQMWLWMDN-UHFFFAOYSA-N 443.543 5.788 30 10 IKEE COc1cc(C(=O)C=Cc2ccccc2OCc2ccccc2Cl)c(OC)cc1Cl 2322867189 ISLGTDUXCVXTRV-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)c1 2323486326 RAIXETIIMHZFSW-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE CCCCOc1ccc(C=Nn2c(S)nnc2-c2ccccc2OCC)cc1OCC 2323520882 PZGQTMSFUOFILC-UHFFFAOYSA-N 440.569 5.092 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)cc2)cc(OC)c1OCc1cccc(C)c1 2323647786 RURTYFQIYGLCNN-UHFFFAOYSA-N 428.528 6.216 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)c1 2323831540 ATOXHJYZYLEPGW-UHFFFAOYSA-N 445.427 5.219 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OCC(=O)Nc1ccc(F)cc1 2323959642 AKQLLFPGNXHRSN-UHFFFAOYSA-N 447.506 5.755 30 10 IKEE Cc1cc(O)c(CN2CCOc3ccccc32)c2c1C(=O)C(=Cc1cccc(Cl)c1)O2 2324155735 IAZVZYUQIHUSSV-UHFFFAOYSA-N 433.891 5.369 30 10 IKEE COc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1ccc(F)cc1)C2=O 2324473832 NHLPZZVHKUERRD-MRXNPFEDSA-N 447.462 5.165 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc(F)cc3)c(Cl)c2)c2ccccc12 2324682696 GRPWXLUNQFEZCF-UHFFFAOYSA-N 446.905 7.116 30 10 IKEE Cc1cc(OCc2ccccc2C#N)cc2c1C(=O)C(=Cc1c(Cl)cccc1Cl)O2 2325357870 GTJOFFUSYSDDIZ-UHFFFAOYSA-N 436.294 6.369 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(OCCC)cc1 2325517716 JGCVQMIEAPESSO-UHFFFAOYSA-N 426.561 5.723 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1cccc(Cl)c1 2325571584 IKLFBRBNQTXCLY-UHFFFAOYSA-N 439.799 6.365 30 10 IKEE Cc1cc(OCC(=O)Oc2cccc(C=CC(=O)c3ccccc3Cl)c2)ccc1Cl 2325717663 JZKQBIPNXSUFBP-UHFFFAOYSA-N 441.310 6.182 30 10 IKEE COc1cccc(CCC(=O)Oc2cccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 2325746541 YYJCKSZXLGQTQO-UHFFFAOYSA-N 442.555 6.427 30 10 IKEE O=C(CCc1ccccc1)Oc1cccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)c1 2325754920 FKSQIIGVTSWUNO-UHFFFAOYSA-N 448.518 6.913 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1OC(=O)c1cccc(Cl)c1 2325756609 FFAPJAIPXYWPTB-UHFFFAOYSA-N 448.946 6.698 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1OC(=O)c1cncc(C)c1 2325756610 FINXLLVIMABTLB-UHFFFAOYSA-N 429.516 5.748 30 10 IKEE C=CCSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1cccc(OC)c1 2326398804 VUCBXIUYWKCDLC-UHFFFAOYSA-N 436.581 5.075 30 10 IKEE CCCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc(OC)c(O)c1 2326618226 FHCVKOOFMPVQNG-UHFFFAOYSA-N 446.576 5.315 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2C)n1N=Cc1c(F)cccc1Cl 2327117283 VBFFTZWTBKEURQ-UHFFFAOYSA-N 446.979 5.775 30 10 IKEE CCCSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1ccc(F)cc1F 2327208134 UDHKNLNNPFAUBB-UHFFFAOYSA-N 430.524 5.261 30 10 IKEE CCSc1nnc(CCCOc2ccccc2)n1N=Cc1ccc(C(F)(F)F)cc1 2328729974 KXOKJDAUUJIDBE-UHFFFAOYSA-N 434.487 5.303 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccc[nH]2)cc1C 2328776465 MSOBDVZOBGJCFO-UHFFFAOYSA-N 435.528 5.116 30 10 IKEE Fc1ccccc1CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccncc1 2329101363 KXTDDXXJDBUONU-UHFFFAOYSA-N 437.931 5.231 30 10 IKEE Clc1ccc(CSc2nnc(CCc3cccs3)n2N=Cc2cccs2)cc1 2329684217 GTRJIISXCDXQTB-UHFFFAOYSA-N 445.038 6.014 30 10 IKEE COc1ccccc1C=Nn1c(Cc2ccccc2F)nnc1SCc1ccccc1C 2329703192 WDHRMEPPIDZYRI-UHFFFAOYSA-N 446.551 5.500 30 10 IKEE Cc1ccc(O)c(C=Nn2c(CCc3ccccc3)nnc2SCc2cccc(F)c2)c1 2330184830 FUYRNCBUYOBMME-UHFFFAOYSA-N 446.551 5.391 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(CC)cc2)cc(OC)c1OC(=O)Cc1cccs1 2330767362 LFZBYUIEJIPHSJ-UHFFFAOYSA-N 446.568 6.092 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(OC)cc3)cc2)cc1 2330824415 DNACBZXTCSNONH-UHFFFAOYSA-N 428.528 6.082 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2cccc3ccccc23)nnc1[C@H]1CCCO1 2330979748 YRQNIMQCZJNYOK-HSZRJFAPSA-N 428.561 5.766 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3)c([N+](=O)[O-])c2)cc1 2331200693 OWVRYZXCDRSWSG-UHFFFAOYSA-N 431.444 5.038 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(-c2ccco2)n1N=Cc1ccccc1Cl 2331232489 CGTXKULVLLLIMU-UHFFFAOYSA-N 447.322 6.159 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)[C@@H]1CCCO1 2331324367 QGOGDXLECIDAJP-NRFANRHFSA-N 428.912 5.336 30 10 IKEE C=C(C)CSc1nnc(CCCC)n1N=Cc1ccc(OCc2ccc(C)cc2)cc1 2331336162 RIECTNPEOAFGDU-UHFFFAOYSA-N 434.609 6.059 30 10 IKEE C=C(C)CSc1nnc(CCCC)n1N=Cc1ccc(OCCCCC)c(OC)c1 2331336988 OXGAEAQPFRYFHG-UHFFFAOYSA-N 430.618 5.749 30 10 IKEE CCOc1cc(C=Nn2c(CC(C)C)nnc2SCc2cc(C)ccc2C)ccc1O 2331455623 BKYUGIXDSSEQGL-UHFFFAOYSA-N 438.597 5.372 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cccc4ccccc34)cc2)cc1 2331469965 RMQJWWSUXWOKKZ-UHFFFAOYSA-N 436.463 5.880 30 10 IKEE CCCCCCCCNC(=O)CCN1C(=O)C(=Cc2ccccc2)N=C1c1ccccc1 2331470136 LUFVTPQGVPYHGE-UHFFFAOYSA-N 431.580 5.183 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1cccc2ccccc12 2331470184 QENCRWIRSISKEY-UHFFFAOYSA-N 436.551 6.858 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3cccc4ccccc34)cc2)cc1 2331470259 XXLZIGYZVFCTRX-UHFFFAOYSA-N 436.507 6.283 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C(C)C)c1 2331705857 VXUQYHSZNWBULQ-UHFFFAOYSA-N 430.577 6.128 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3c(C)cc(C)cc3C)cc2OC)c1 2331780012 PZHFLUAFSCGVKQ-UHFFFAOYSA-N 430.500 5.744 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)cc(COC)c1 2362290641 LFUYRTOEOBOQAH-MOPGFXCFSA-N 441.410 5.106 30 10 IKEE COc1ccc(Oc2cccc3c2C(=O)/C(=C/c2sccc2C)[C@H]3c2ccccc2)cc1 3133478 CKXIMKVRRMPBQZ-QAHUDSGCSA-N 438.548 7.269 30 10 IKEE C=CCn1c(S[C@H](C)C(=O)c2ccccc2)nc2scc(-c3ccccc3)c2c1=O 9041529 KZEBMQCXZPTZES-MRXNPFEDSA-N 432.570 5.675 30 10 IKEE C=C(C)CSc1nn(CC(=C)C)c2nc3c(c(=O)n12)C1(CCCC1)Cc1ccccc1-3 9250942 FWJWDMASYPTBJP-UHFFFAOYSA-N 432.593 5.170 30 10 IKEE biogenic C=CCN(CC=C)C(=O)Cn1c([C@@H](C)c2ccc3cc(OC)ccc3c2)nc2ccccc21 27696311 KHKZMZWHBXAKIV-FQEVSTJZSA-N 439.559 5.551 30 10 IKEE CCc1cccc(N/C(=N\C(=O)c2ccc(Cl)cc2)NCCc2c[nH]c3ccccc23)c1 32943037 AUCHPVCYSGQBDS-UHFFFAOYSA-N 444.966 5.824 30 10 IKEE CCOc1ccccc1[C@@H]1C2=C(C[C@H](c3ccc(O)c(OC)c3)CC2=O)Nc2onc(C)c21 33321134 QUFAHBDDTDEJPC-FYSMJZIKSA-N 446.503 5.054 30 10 IKEE C/C(=C1/S/C(=N/c2nnc(C)s2)N(C2CCCCC2)C1=O)c1ccc(C)c(C)c1 39866581 FEPCKOZNPRDFJV-HIZKOGFASA-N 426.611 5.790 30 10 IKEE O=C(Nc1cccc(F)c1)[C@@H]1CC(=O)N(CCc2ccccc2)/C(=N/c2ccccc2)S1 59108967 AAUOTXVLTPDWGG-XOFWUJAUSA-N 447.535 5.029 30 10 IKEE O=C(CSc1n[nH]c(N/N=C/c2c3ccccc3cc3ccccc23)n1)c1ccccc1 59310038 FGTBAYFVKKJXNW-CVKSISIWSA-N 437.528 5.532 30 10 IKEE O=[N+]([O-])c1cccc(/C=N/c2ccc3nc(SCc4ccc(Cl)cc4)sc3c2)c1 59501368 MQQPXFKWWJCPQL-FSJBWODESA-N 439.949 6.901 30 10 IKEE Cc1cccc(CSc2nc3ccc(/N=C/c4c(Cl)cccc4Cl)cc3s2)c1 59517199 DWVCDQGIPDKQNX-BRJLIKDPSA-N 443.424 7.954 30 10 IKEE CCCCCCCOc1ccc(NC(=O)CNc2ccc(NC(=O)CCC)cc2)cc1 100101614 NDCLWJVPQAESFF-UHFFFAOYSA-N 425.573 5.825 30 10 IKEE CCCCCCCCCCCCCCCCNCc1ccc(O[C@H](C)CC)c(OC)c1 100125352 YJCGSRXAAXQLSM-RUZDIDTESA-N 433.721 8.443 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2)cc1 100417735 CCXLPRLCLJTZFD-UHFFFAOYSA-N 430.548 6.540 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S/C1=N/c1ccccn1 101124300 JPSAYLVLSYVKNM-PDQZSPQUSA-N 432.461 5.040 30 10 IKEE CCCCCCCCCCCCCC(=O)N(CCC(C)C)CC(=O)Nc1cc(C)on1 103000683 RVKJHBUCMVHTMB-UHFFFAOYSA-N 435.653 6.497 30 10 IKEE O=C(Nc1nc(-c2ccc(F)cc2)cs1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103623958 BJCWWQWXIVAZOM-UHFFFAOYSA-N 440.262 5.356 30 10 IKEE CC(C)CCN1C(=O)/C(=N/Nc2ccccc2OCc2ccc(C#N)cc2)c2ccccc21 105499611 ZCEFETKURFFYJD-URGPHPNLSA-N 438.531 5.346 30 10 IKEE Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1c(C)oc(C)c1Br 107806267 MVNQWXSGTXPCPZ-UHFFFAOYSA-N 426.270 5.279 30 10 IKEE C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C/c1cccc(Cl)c1Cl)C2=O 118919570 YGBQOUNQDOEMKJ-FDFUCHMXSA-N 445.430 6.880 30 10 IKEE CCCCCCOc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SC)cc1OC 169916248 FYHMILPAERPRPG-BWAHOGKJSA-N 438.597 5.441 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2ccc(OC)cc2)cc1 169923551 PEAVGSOHEBQSEW-NRFANRHFSA-N 448.544 5.114 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2cccc(OC)c2)cc1 169933346 YZUHJBWQSPAMNU-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3ccc(C)cc3C)cs2)cc([N+](=O)[O-])c1OCC 169941289 SWIBMQQZIGMDDT-FMCGGJTJSA-N 440.525 5.579 30 10 IKEE COc1ccc(Br)cc1/C=N\Nc1nc(-c2c(C)cc(C)cc2C)cs1 169942595 GKXKOJCYXZZOKY-YVNNLAQVSA-N 430.371 5.952 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2cc(C)ccc2C)=C(O)C(=O)N1c1ccc(C)c(C)c1 169943157 VEBBPHXQGHFOQT-RUZDIDTESA-N 441.527 5.712 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2C2CCCCC2)cc1 170031785 ZDFIXZVBDUXXFW-QHCPKHFHSA-N 435.520 5.005 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@H]1c1ccc(O)cc1 170136906 PMFYPNDGMKJWOS-HXUWFJFHSA-N 448.544 5.203 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C)c(Cl)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1C 170153613 ICTJTDPMXXHZCW-UHFFFAOYSA-N 441.918 5.534 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccs2)c1 170160386 JSODQOUEQNOHGT-IBGZPJMESA-N 425.893 5.198 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1ccccn1 170176343 UZTQUSPAORNDQT-XMMPIXPASA-N 440.543 5.779 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccncc1)c1cc2cc(Cl)ccc2o1 170200183 ADSZSLOPOWIZCX-NRFANRHFSA-N 448.837 5.403 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccccc2F)c1 170248643 GNZXUUHQOBIOOO-UPCLLVRISA-N 443.474 5.240 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccco2)c1 170297122 XPUQNGNCVMVSPD-DEOSSOPVSA-N 445.515 5.462 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccco2)c1 170297165 OGBJOZBFKACWRA-VWLOTQADSA-N 437.495 5.828 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccc(C)o2)cc1 170300718 HNIMWTPGBIELII-VWLOTQADSA-N 437.495 6.087 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccc(C)o2)c1 170303046 IZSOLUOQJSLHBL-NRFANRHFSA-N 437.879 5.423 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@H]1c1c(C)[nH]c2ccccc12 170312170 AVNVJTUGYLUNKF-JOCHJYFZSA-N 432.520 5.090 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)cc1)c1ccccc1 170339665 QRNGSZOYKVJOMA-HXUWFJFHSA-N 440.282 5.482 30 10 IKEE N#Cc1c(NC(=O)CC2=CSC3=NCCN23)oc(-c2ccccc2)c1-c1ccccc1 170574729 WIMWLTMWLUNYFP-UHFFFAOYSA-N 426.501 5.074 30 10 IKEE Cc1cccc(N=C2S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2ccc(F)cc2)c1 254813193 FSSNWONTRIYKEH-APPJTMTASA-N 447.560 6.313 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccccc2OC)cc1 526603909 ILPNNMWBCOXRAT-DEOSSOPVSA-N 426.472 5.023 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2ccc(Cl)cc2)[C@@H]1c1ccc([N+](=O)[O-])s1 526606715 NSXQGQRITQQEJE-IBGZPJMESA-N 437.864 5.239 30 10 IKEE CC(C)Oc1c(Cl)cc(/C=N\n2cnnc2SCc2ccccc2F)cc1Cl 526803363 YPZNQWOGNTVEQQ-OPVMPGTRSA-N 439.343 5.686 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1cccs1 526813621 FJAXYMUHKKCEHH-NHDPSOOVSA-N 425.410 6.164 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1cccc([N+](=O)[O-])c1 526822171 UGGYJVOSRGESRE-XYGWBWBKSA-N 445.548 5.857 30 10 IKEE N#Cc1ccc(COCC2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)cc1 585222138 NYYATYVBKNTLCN-UHFFFAOYSA-N 426.516 5.420 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(Br)cc(Br)c1 698839948 MHVUPQWTHLVZNX-OAHLLOKOSA-N 446.183 5.669 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)cc1 698897685 ZPEJCAAIEKAVOC-BPJRARJCSA-N 441.572 5.274 30 10 IKEE CCCCCCCCCC[C@@H](O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 702446758 YUSWSOWZFCWVJQ-DNQXCXABSA-N 434.665 5.903 30 10 IKEE CCOc1cc(C=NNc2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)ccc1OC 1083907041 ULPDIDLFOWURPP-UHFFFAOYSA-N 443.572 6.639 30 10 IKEE C=C1CC[C@@H](O)C/C1=C/[C@H](O)[C@]1(O)CCC[C@@]2(C)[C@H]([C@@H](C)/C=C/[C@H](C)C(C)C)CC[C@H]21 1084293991 KXILCRGOVVVVRF-XYMMCAOESA-N 430.673 5.807 30 10 IKEE CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)OC/C=N/OCc1c(F)c(F)c(F)c(F)c1F 1614950097 SBFCERKFEHNPBW-LSYNMPESSA-N 446.199 5.019 30 10 IKEE O=C1/C(=C/C=C\c2ccccc2[N+](=O)[O-])SC(=Nc2nccs2)N1c1ccccc1 1772734637 NQCINMDHEBSMJH-VCDSDCANSA-N 434.502 5.416 30 10 IKEE Cc1cc(C(=O)C[C@@H]2SC(=Nc3ccccc3)N(c3ccccc3)C2=O)ccc1Cl 1772759976 JBXDRPNKAFWALY-QFIPXVFZSA-N 434.948 6.058 30 10 IKEE Cc1ccc(NC(=O)Nc2ncccc2OCc2ccc(C#N)cc2)cc1Br 1858865712 KVZJQYSYMXOZIZ-UHFFFAOYSA-N 437.297 5.247 30 10 IKEE N#Cc1cccc(C(=O)Nc2ccc(Cl)c(NC(=O)COc3ccc(Cl)cc3)c2)c1 1860461598 IEWJEVCNXGTNSY-UHFFFAOYSA-N 440.286 5.135 30 10 IKEE CCCCCCCCCCn1ccc(=O)c(OCC(=O)c2ccc(NC(C)=O)cc2)c1 1860774958 XPGXHPKNOMGAFW-UHFFFAOYSA-N 426.557 5.209 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)CCCOc1ccc(Cl)cc1 1861715221 RZONCOIOLPPKCH-JOCHJYFZSA-N 439.040 5.651 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CC)c1 1862386046 DPITYIVXULMYFF-IBGZPJMESA-N 434.319 5.380 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2cccc(C)c2)cc1 1862389267 BMTROCDOILSCRT-VWNXMTODSA-N 433.548 5.095 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc(C)cc2)cc1 1862389288 CGQJJUDUOZUWLU-HQCZVFHSSA-N 445.603 6.495 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2cccs2)cc1 1862431897 QXOABZFWTUYLRU-OAQYLSRUSA-N 437.948 5.742 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc(OC)c1 1862476862 PRLHWVKOJKXQNW-DEOSSOPVSA-N 435.564 5.942 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 1862480308 CVQVDFUQICKDQS-HSZRJFAPSA-N 445.584 6.133 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2cccc(F)c2)c1 1862488538 BUOYHKGFBPTSDG-RUZDIDTESA-N 443.518 5.654 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccccc2F)c1 1862489753 FRSVQCHKLNFJSJ-XMMPIXPASA-N 433.523 5.911 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(N(CC)CC)cc1 1862498486 JPPJUBXTBBGLKY-DEOSSOPVSA-N 434.580 5.528 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc(C(C)C)cc2)ccc1F 1862503562 AAZQKTNHXZXTCT-FIMBPPNMSA-N 449.566 6.415 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862507493 MFRXIDAOXVBFIC-XMMPIXPASA-N 429.491 5.529 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2ccccc2Cl)cc1 1862536162 SBCAYPCVBWLDEO-DEOSSOPVSA-N 445.946 5.989 30 10 IKEE CCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(C)cc1 1862554809 LIVQJTJUBGNSDN-VWLOTQADSA-N 448.607 6.296 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C2CCCC2)c1 1862616217 PCFWLNNFTKCSCG-HSZRJFAPSA-N 433.548 5.514 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1cccc(F)c1 1862616566 QOXWSYLGGIGOPQ-QHCPKHFHSA-N 437.555 6.282 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2cccc(F)c2)cc1F 1862638056 SNUYLAYBCUMVAE-HSZRJFAPSA-N 449.453 5.060 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1ccc(C(C)C)cc1 1862640491 PPMSLAJSJVOTEM-QHCPKHFHSA-N 439.527 5.726 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccccc2Br)cc1 1862669946 IULYFOXMCWBPLB-FQEVSTJZSA-N 442.353 5.559 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCc2ccc(F)cc2)cc1 1862673924 RCTRJLSZYXWRMU-XMMPIXPASA-N 447.481 5.348 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1 1862675250 FTNYSBWOPHFOAB-RBBKRZOGSA-N 443.946 6.416 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 1862676674 ONPQSKSLCAOVKU-IVZQSRNASA-N 446.434 5.073 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C)c2)=C(c2ccc(NC(C)=O)cc2)C1=O 1863184584 GLUVWZOHWKZBFQ-UHFFFAOYSA-N 447.579 5.506 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N1CCN(c2ccccc2F)CC1 1866342486 MYCFSHXXBMPHOO-UHFFFAOYSA-N 446.695 7.736 30 10 IKEE CC[C@H](NC(=O)[C@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866989865 FVJNSQVVTBKVNC-PMACEKPBSA-N 432.351 5.138 30 10 IKEE CCc1nc(Nc2ccc(C#N)cc2)cc(N2CCC(c3nc4c(s3)CCCC4)CC2)n1 1868291242 MFLWBOZJJWNCGT-UHFFFAOYSA-N 444.608 5.374 30 10 IKEE CC(C)(C)c1ccc(-c2nc(Nc3ccc(C#N)cc3)cc(N3CCC[C@H](CO)C3)n2)cc1 1868552434 CNGVTUBUQQRPJZ-FQEVSTJZSA-N 441.579 5.265 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3cc(OC)ccc3[C@@H]2C)nc(-c2ccccc2C)n1 1869146323 RBRPDUTWLFSIOE-NRFANRHFSA-N 440.591 5.763 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC(C(=O)c3ccc(OC)c(C)c3)CC2)nc(CCC)n1 1869217122 SIUQBHSXTOXCCW-UHFFFAOYSA-N 448.611 5.024 30 10 IKEE CCCCCCCOc1cn(CCCN(CC)CC)c(CSc2ccccn2)cc1=O 1870251592 MFJGSQTXUWJBGX-UHFFFAOYSA-N 445.673 5.617 30 10 IKEE CCCCCCCOc1cn(C[C@@H](C)O)c(CNc2ccc(C(F)(F)F)cc2)cc1=O 1870836858 YLPFEHVOSMNCQN-QGZVFWFLSA-N 440.506 5.209 30 10 IKEE Cc1cc(C)cc(OCCN2COc3cc(C)c4c(c3C2)O/C(=C\c2ccco2)C4=O)c1 1871347374 SPHBRISKLXUZGE-QRVIBDJDSA-N 431.488 5.052 30 10 IKEE CCCCCN1COc2c(cc3c(c2C)O/C(=C\c2ccccc2Br)C3=O)C1 1871352439 JISNVXUJUKAJOQ-NDENLUEZSA-N 442.353 5.716 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OC(=O)CCCOc4ccccc4)c3C)C2=O)c1 1871371219 KTLIFMZKYKHFBA-ULJHMMPZSA-N 444.483 5.384 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc4c(c2)OCO4)C3=O)cc1C 1871373052 YSUKYHYXBSMSNE-FMCGGJTJSA-N 428.440 5.176 30 10 IKEE Cc1c(OC(=O)c2ccc(OC(C)C)cc2)ccc2c1O/C(=C\c1ccc(Cl)cc1)C2=O 1871388482 YFNJDDAFRHMERR-UCQKPKSFSA-N 448.902 6.271 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871409200 ZLVLGINJNRJAMB-YOBACFSGSA-N 433.891 5.671 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(O[C@H](C)C(=O)Nc3ccc(Cl)cc3)ccc2C1=O 1871414598 OQIMFARAJNQPCZ-GEWRUKCFSA-N 433.891 5.671 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(C)o1)C2=O 1871429121 IULIFJMXJPSBGN-ALFKQNEGSA-N 426.509 5.794 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2c(c1)O/C(=C\c1cn(CC)c3ccccc13)C2=O 1871430365 IKBJHNIGWODZHE-MYYYXRDXSA-N 446.547 5.305 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O 1871433007 JNBXDAUUPKQNHY-XUVWKZFSSA-N 426.484 5.723 30 10 IKEE CCN(CC)CCOc1cc(C)c2c(c1)O/C(=C\c1ccccc1Br)C2=O 1871451548 AKQSPPIBYXHXSN-MOSHPQCFSA-N 430.342 5.094 30 10 IKEE CCOc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2sccc2C)C3=O)cc1 1871452345 LRTNTMQCZXAGRY-BKUYFWCQSA-N 449.528 5.397 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc3n[nH]cc3c2)[nH]c(N2CCCCCC2)n1 1871629574 QQSRTVLFNAXUPW-UHFFFAOYSA-N 436.608 5.066 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(CCCC)cc1)[C@H](C)CC)S(=O)(=O)CCCC 1871831376 HVQICVXVKSIKCV-NFBKMPQASA-N 436.662 5.390 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(C)c(C)c1 1872138419 VCWYMJYTZRQZTL-VWLOTQADSA-N 448.588 5.250 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cccc(Cl)c1C)[C@@H](C)CC)S(=O)(=O)CCCC 1872440224 WDQXPHSVGYBFGX-OXJNMPFZSA-N 429.026 5.010 30 10 IKEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccccc1CC)S(=O)(=O)c1ccc(C)c(C)c1 1872474439 IXBKBJNSVTZJMB-XMMPIXPASA-N 442.625 5.096 30 10 IKEE N#C[C@H](C(=O)c1ccc(F)c(F)c1F)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872762276 IAWCWFQHCOGXDD-LLVKDONJSA-N 427.234 6.024 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OCC(C)C)cc3)n2)cc1 1872765925 ZPZCIFSRGHTHMM-QHCPKHFHSA-N 432.589 6.678 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)c2ccc([N+](=O)[O-])cc2)n1 1872777356 LPSSAZXLINWYHL-SFHVURJKSA-N 435.505 5.514 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4ccccc4oc3=O)n2)c(C)c1C 1872778542 NLKRSHYQNWKXLS-SFHVURJKSA-N 430.485 5.032 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-n4cccc4)cc3)n2)c(OC)c1 1872784032 NVMLGAHBGYPWPN-FQEVSTJZSA-N 429.501 5.108 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)c3ccnc(Cl)c3)n2)c(OCC)c1 1872784789 XPUTVRZPPUKOSI-MRXNPFEDSA-N 427.913 5.146 30 10 IKEE CCc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1 1872789470 JYMGHVYQBGGGJY-INIZCTEOSA-N 430.982 6.123 30 10 IKEE CC[C@@H](C)c1ccccc1NC(=O)c1ccc(CSc2nc(C)c(C)c(C)c2C#N)cc1 1872895106 CGFNMPWIAZUYGN-QGZVFWFLSA-N 443.616 6.937 30 10 IKEE CCCCCCCCN1C(=O)C(NC2CCCCCCC2)=C(c2ccc(C)c(C)c2)C1=O 1873141362 VWYUOROJXLRVFH-UHFFFAOYSA-N 438.656 6.446 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2OC)C(=O)N([C@@H]2CCCC[C@H]2C)C1=O 1873152806 NBOPBTCXKOBABX-TZIWHRDSSA-N 426.601 5.304 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2)C(=O)N([C@@H](CC)CCCCC)C1=O 1873159520 YKRVSKZHWKOGRX-DEOSSOPVSA-N 440.672 6.856 30 10 IKEE N#Cc1nc([C@H]2C[C@H]2c2ccccc2)oc1N/N=C/c1cccc(OCc2ccccc2)c1 1873471016 URGMFKKQCBMGLP-HNFXQVNOSA-N 434.499 5.842 30 10 IKEE CCOc1cc(/C=N/Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(C)cc1 1873498790 JNXHMOBYTQLYQD-VULFUBBASA-N 429.347 6.726 30 10 IKEE Sc1nnc(-c2ccco2)n1/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 1873502749 SXQKHPUGYUQKIC-FOKLQQMPSA-N 445.331 5.595 30 10 IKEE C=CCn1c(C(=O)N(CCCC)CCCCCC)cc2c(N3CCC[C@H](C)C3)ncnc21 1873560490 AURKBLIPJNPEAX-NRFANRHFSA-N 439.648 5.676 30 10 IKEE CCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1cccc2ccccc12 1874245902 CMKZVEFMICFARG-NLRVBDNBSA-N 430.577 5.746 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(CCc3ccccc3C)nnc2SCC)cc1 1874363218 RSEVGABMQLRSDS-LGUFXXKBSA-N 436.625 5.935 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCCc2ccccc2)n1/N=C/c1ccc(F)cc1F 1874400479 QZRZHZCQZKIJIS-OQIQZUQJSA-N 448.542 5.925 30 10 IKEE Oc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccc(F)cc2)c(O)c1 1874406458 PBLFDTFQSYDUDA-AFUMVMLFSA-N 440.544 5.126 30 10 IKEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3C)nnc2-c2cccs2)cc1 1874421688 ZENFCNBVRDKMRD-ZVHZXABRSA-N 447.589 5.236 30 10 IKEE CCCSc1nnc(-c2ccccc2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874428831 DRXHZZBOQWBBAN-NLRVBDNBSA-N 428.561 5.908 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2-c2ccco2)c1O 1874467598 RHOVCEVAQVQJAK-FSJBWODESA-N 440.912 5.080 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccccc2CC)n1/N=C/c1ccccc1C 1874476933 ZZKKCNPJMLTXKQ-PCLIKHOPSA-N 435.597 5.105 30 10 IKEE CC(C)Cc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874487576 DWDBTUHRBKUICK-BHGWPJFGSA-N 437.371 6.097 30 10 IKEE COc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2cccc3ccccc23)cc1O 1874490628 BHSDATASSQHOFK-CVKSISIWSA-N 446.576 5.519 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2C2CC2)cc1 1874519727 JDPDBZZZTUQMAY-WGOQTCKBSA-N 434.609 6.126 30 10 IKEE COc1ccc(/C=N/n2c(S)nnc2-c2ccccc2)cc1OCc1ccc(C)cc1 1874559001 NXEHHNMDALVQTG-MFKUBSTISA-N 430.533 5.012 30 10 IKEE CC(C)(C)c1cc(/C=N/n2c(S)nnc2Cc2ccccc2F)cc(C(C)(C)C)c1O 1874561862 OHNNIZNAKDDIGR-VULFUBBASA-N 440.588 5.480 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1OCc1cc(C)ccc1C 1874573299 GUTQYKGUZCHVGG-FMIVXFBMSA-N 441.354 7.094 30 10 IKEE CCOc1c(/C=C/C(=O)c2cccc(Br)c2)cc(Br)cc1OC 1874575842 JLTYTKVDMKMESC-BQYQJAHWSA-N 440.131 5.515 30 10 IKEE Cc1cccc(COc2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2Br)c1 1874613083 BIZXYTSDYGIXGG-VZUCSPMQSA-N 441.752 6.886 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OCc1nc(O)c2ccccc2n1 1874614135 GOHQOBVLHUUIAD-WUXMJOGZSA-N 446.890 5.473 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccc(/C=C/C(=O)c2ccccc2)cc1[N+](=O)[O-] 1874614864 UOKYWCZKHWRGFO-ACCUITESSA-N 430.460 5.125 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)cc1C 1874636635 KQLUYHVLIXVDQU-SDNWHVSQSA-N 443.543 5.842 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(F)cc1 1874668973 SKLCDBPJTGSQLF-DEOSSOPVSA-N 437.559 5.125 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(-c4ccccc4)cc3)c2)cc1 1874694482 FQCFIKKGTYXDHV-DEDYPNTBSA-N 432.519 7.031 30 10 IKEE O=C(Cc1ccccc1Cl)Oc1cccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)c1 1874706604 PYMLJNBESDOHKQ-CSKARUKUSA-N 434.875 5.155 30 10 IKEE CCOc1ccc(CC(=O)Oc2cc(/C=C/C(=O)c3ccc(C)c(C)c3)ccc2OC)cc1 1874713507 ABNDGFRBJGKUIC-NTEUORMPSA-N 444.527 5.755 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OC(=O)c1ccc(N(C)C)cc1 1874716229 IQKLOELLZLFIFD-NTUHNPAUSA-N 443.543 5.802 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(Br)cc3)cc2)cc1C 1875108968 PIQBISWXOABQGL-VGOFMYFVSA-N 449.344 6.110 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)CC3CCCCC3)c(OC)c2)cc1 1875113095 WDNOBGAYBDMQSP-NTEUORMPSA-N 438.520 5.484 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2Cl)c(Cl)c1)c1ccc(F)cc1F 1875121079 YKNWRYLOGBJKLC-WEVVVXLNSA-N 433.237 6.387 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cc(C)ccc3C)cc2)cc1 1875136300 INDAYIPNLHPJLF-CXUHLZMHSA-N 428.528 6.136 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)CCc2ccccc2C)c(Cl)c1 1875143403 XKTPRCRNAOMBJA-FMIVXFBMSA-N 448.946 6.400 30 10 IKEE O=C(CCCOc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1 1875146746 HRAYNSFTUOVWMQ-GXDHUFHOSA-N 444.483 5.119 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1Br 1875166622 AJWMUEFUNHLYHS-DHZHZOJOSA-N 445.353 6.066 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)CCCOc3ccccc3C)cc2)c(C)c1 1875182775 UPADRIBYHHQMHO-DTQAZKPQSA-N 442.555 6.581 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)c(C)c3)c(OC)c2)cc1C 1875191479 OJQZCBYZGXAZDE-DHZHZOJOSA-N 444.527 6.053 30 10 IKEE C[C@@H](C#N)c1cccc(C(=O)N2CCC(c3ccc4cc(Br)cnc4n3)CC2)c1 1891007333 UZQPQQDMYPFPRP-HNNXBMFYSA-N 449.352 5.039 30 10 IKEE Cc1ccc2c(C(=O)N3CCC[C@@H](COc4cc(C#N)ccn4)C3)cc3c(C)cccc3c2c1 1891814903 KJHKIPZUPXSSAD-JOCHJYFZSA-N 449.554 5.808 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCC)c2ccc(Cl)cc2Br)C1 1898223888 CSEBNLLLPAXWOO-KRWDZBQOSA-N 443.813 5.614 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NC)[C@H](CNC(=O)OC(C)(C)C)CC1CCCCC1 1922087215 XBOPFYFDDJSSON-BJKOFHAPSA-N 430.633 5.459 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@@H](N(C)C(=O)OC(C)(C)C)C(F)(F)F)NCCC 1922115445 HNTGRAPGWVNOKC-VQTJNVASSA-N 444.538 5.316 30 10 IKEE CCCCCCCC[C@H](NCCC)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1946537102 AXRAYCOPHILFBB-ZEQRLZLVSA-N 434.665 6.215 30 10 IKEE C=CC[C@](C)(CNC(=O)OC(C)(C)C)COc1cc(NC(=O)OC(C)(C)C)ccc1N 2023596299 JFBBXZJVJXONGU-HSZRJFAPSA-N 435.565 5.102 30 10 IKEE N#C[C@H](CNc1cc(Br)c(Br)c(Br)c1)C1CCC1 2034334320 LPMDFASFGPJTSE-SECBINFHSA-N 436.973 5.326 30 10 IKEE N#C[C@H]1CCCC[C@@H]1Nc1cc(Br)c(Br)c(Br)c1 2034337998 BPSDFDDPZQGPLW-PELKAZGASA-N 436.973 5.468 30 10 IKEE COc1cc(C=C(c2nc3ccccc3[nH]2)c2nc3ccccc3s2)ccc1OCC#N 2041076084 RSXUDLPJLIXKTL-UHFFFAOYSA-N 438.512 5.672 30 10 IKEE Cc1cnc(N(Cc2ccccc2)[C@@H](C)c2cccs2)c(B2OC(C)(C)C(C)(C)O2)c1 2052554993 CNAFGIUIURVFMA-IBGZPJMESA-N 434.414 5.519 30 10 IKEE C=CCN(CC[C@@H](NC)c1c(Cl)ccc(Br)c1F)C(=O)OC(C)(C)C 2058346010 LXSBXJPJEDHKKZ-CQSZACIVSA-N 435.765 5.315 30 10 IKEE CC[C@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(OC)c1 2067965183 XNHWZXJRBPLAQE-NTKDMRAZSA-N 445.560 5.118 30 10 IKEE Cc1ccc([C@@H](n2nc(C(F)F)c(C#N)c2I)C2(C)CC2)c(C)c1 2079088279 ZJMVTQXYEDAMHX-OAHLLOKOSA-N 441.263 5.303 30 10 IKEE Cc1ccc([C@H](n2nc(C(C)C)c(C=NO)c2Br)C2(C)CC2)c(F)c1F 2079879082 XUNCOPIYVUQFNZ-KRWDZBQOSA-N 426.305 5.553 30 10 IKEE CC(C)c1ccc([C@H](C(C)C)n2nc(C(C)C)c(C#N)c2I)cc1 2079924965 GJCJTNXCTXYVJO-IBGZPJMESA-N 435.353 5.852 30 10 IKEE CC(C)(C)[C@H](c1ccc(C(F)(F)F)cc1F)n1nc(C2CCC2)c(C=NO)c1Cl 2079929398 UMJKVWIWEDYEHF-KRWDZBQOSA-N 431.861 6.406 30 10 IKEE N#Cc1ccc(Br)cc1OCc1cccc(Br)c1Br 2092337528 JQPOUCJTVWFPJA-UHFFFAOYSA-N 445.936 5.425 30 10 IKEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(Br)ccc(Cl)c1F 2098958910 LBTHRFQCEMJITI-RHSMWYFYSA-N 447.776 5.199 30 10 IKEE CCC1(Nc2ccc(C#N)c(Br)c2F)CCN(C(=O)OC(C)(C)C)CC1 2105995674 LQOITRPWGCHHHO-UHFFFAOYSA-N 426.330 5.051 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCCO[C@H]1C(C)(C)C 2160258466 PXNOVMQZRMHJNA-UWJYYQICSA-N 437.378 5.678 30 10 IKEE CCCN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(Br)c1C#N 2174811704 BKEAZWNJXIBHCV-UHFFFAOYSA-N 436.394 5.184 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCCC)c2c(F)cccc2Br)C1 2183007126 XCYCQMXZMRAAKV-GOSISDBHSA-N 441.385 5.490 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)cc(OC)c1 2201000059 PYDCHJFXJOHORI-OALUTQOASA-N 441.410 5.358 30 10 IKEE CN[C@H](C#Cc1ccccc1Br)c1cc(Cl)ccc1NC(=O)OC(C)(C)C 2240813979 CYNCNQRSJOJMPN-GOSISDBHSA-N 449.776 5.762 30 10 IKEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)Nc1ccccc1OCc1ccccc1 2267127280 HRZLSLWXDOCKNS-UHFFFAOYSA-N 449.381 5.187 30 10 IKEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N(Cc1ccccc1)CC1CCCC1 2267230249 LKFJLSSHGXIHLQ-UHFFFAOYSA-N 433.401 5.127 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)C[C@@H](C)C(C)(C)NC(=O)OC(C)(C)C 2286776146 MGBYNFFSJPGREU-SJLPKXTDSA-N 437.422 5.108 30 10 IKEE CCCN[C@@H](C#CC1CCCC1)c1cc(I)ccc1Br 2289781833 BAFIFVKZNPAHQL-KRWDZBQOSA-N 446.170 5.288 30 10 IKEE Cc1ccc([C@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2c2cccc(Br)c2)cc1 2296154668 SQPCACGGUYLTEZ-NRFANRHFSA-N 448.316 5.384 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C 2296300695 LLFAZQBLMMGESA-OALUTQOASA-N 437.422 5.108 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(OCc3ccccc3Cl)c(OCC)c2)SC1=S 2297303069 WMGSTBDVSJYDJA-UHFFFAOYSA-N 445.993 5.705 30 10 IKEE Cc1cc(C(C)(C)C)cc(C)c1C(=O)C=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2297578383 YXGLUWIXSPJAHF-UHFFFAOYSA-N 432.991 7.729 30 10 IKEE COc1cc(C=C2C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc2c1OCO2 2297736763 FBJLPYMCBZFUML-BOKCTATHSA-N 436.592 6.419 30 10 IKEE C=CCC(C)(C)[C@H](NN)c1sc(Br)c(Br)c1Br 2304050191 WBTVJXBRGUBMAI-SECBINFHSA-N 447.034 5.142 30 10 IKEE CCN1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)SC1=Nc1nc(-c2ccccc2)cs1 2314543905 OWRFMKNOPPWCHN-UHFFFAOYSA-N 436.518 5.342 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2)SC(=NN=Cc2ccc(O)cc2)N1Cc1ccco1 2314818956 PDOVIQGBJXRZLU-UHFFFAOYSA-N 437.908 5.145 30 10 IKEE COC(=O)c1c(NC(=O)C=CC(=O)c2cccc(OC)c2)sc(C)c1-c1ccc(C)cc1 2320940798 HQWDRKDIMBDOHX-UHFFFAOYSA-N 449.528 5.205 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1cccc2ccccc12 2321020486 JUGBDTJHQCVENO-UHFFFAOYSA-N 441.387 6.475 30 10 IKEE CCCCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1cccc(OC)c1OC)C3=O 2322082977 JQHQEOPQNMXERH-UHFFFAOYSA-N 437.536 5.361 30 10 IKEE Sc1nnc(CCCOc2ccc(Cl)cc2Cl)n1N=Cc1ccccc1Cl 2322286534 FNPMHMZOYUDJEY-UHFFFAOYSA-N 441.771 5.421 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)NCc2ccccc2)cc1 2322552892 RPMQWFYBDUBSSF-UHFFFAOYSA-N 449.934 5.330 30 10 IKEE CCc1ccc(NC(=O)COc2ccccc2C=CC(=O)c2cccc3ccccc23)cc1 2322714798 PWKPZZRSHOVCQT-UHFFFAOYSA-N 435.523 6.316 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(F)cc2)c1OCC(=O)Nc1ccccc1 2322748374 KHODTGVYAXNDPY-UHFFFAOYSA-N 439.870 5.401 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCc3cccc(F)c3)ccc3ccccc23)c(C)c1C 2322818751 WHQAUMABHKXHHQ-UHFFFAOYSA-N 440.514 7.079 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)N[C@@H](C)c2ccccc2)cc1C 2322894408 CSDOBANLRPTXKI-FQEVSTJZSA-N 447.962 6.109 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3cc(C)cc(C)c3)c2)cc1F 2323202663 XBGLCPNCHQFKGX-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE CCCCCCCCCOc1ccc(C=NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1 2323453617 AAVSLMNSBWVXJU-UHFFFAOYSA-N 436.017 6.586 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OCc1cccc2ccccc12 2323800638 FXBLHNJKYZDKLA-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)c(OCc3ccccc3F)c(OC)c2)cc1 2323827364 ZPNMJPDUZLAXGC-UHFFFAOYSA-N 440.898 6.362 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCc3cccc4ccccc34)c([N+](=O)[O-])c2)c(C)c1 2323858271 AESFZYNAVZAXNS-UHFFFAOYSA-N 437.495 6.840 30 10 IKEE CC(C)C(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccs2)C3=O)cc1 2323933551 DZVCSMKYYYBDHG-UHFFFAOYSA-N 434.469 5.145 30 10 IKEE CN(Cc1c(O)ccc2c1OC(=Cc1ccc(-c3ccccc3)cc1)C2=O)C1CCCCC1 2324074823 WRJOSWIMJJZSOM-UHFFFAOYSA-N 439.555 6.440 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 2324178693 ZGDOKLKTHHVQEF-UHFFFAOYSA-N 439.870 5.401 30 10 IKEE Cc1c(OCCOc2ccccc2)ccc2c1OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2324220599 FEBRXVCFVTUHHY-UHFFFAOYSA-N 448.518 6.736 30 10 IKEE CCCOc1c(Br)cc(C=CC(=O)c2ccc(F)c(F)c2)cc1OCC 2324260445 DSZANSCTIWMJMK-UHFFFAOYSA-N 425.269 5.811 30 10 IKEE Cc1c(O[C@H](C)C(=O)Nc2ccc(F)cc2)ccc2c1OC(=Cc1ccc(F)cc1)C2=O 2324319842 LUYZYZHDBOQODY-OAHLLOKOSA-N 435.426 5.295 30 10 IKEE CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O 2324325000 MPCZOBKNMBXKMM-MRXNPFEDSA-N 447.462 5.247 30 10 IKEE C=CCOc1c(Br)cc(C=CC(=O)c2ccc(OC)cc2OC)cc1OCC 2324475117 RQEQSRRKGMQMRS-UHFFFAOYSA-N 447.325 5.326 30 10 IKEE C=CCc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OCc1cccc(C)c1 2324567774 ZYTWAKIMFBICQX-UHFFFAOYSA-N 440.583 7.132 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCCCCOc4ccc(C)cc4)cc(C)c3C2=O)cc1 2324588739 PJAGIQKKUNHUFC-UHFFFAOYSA-N 428.528 6.466 30 10 IKEE CCc1ccc(NC(=O)[C@@H](CC)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2)C3=O)cc1 2324816933 AJAZWNUXZAAXNP-HSZRJFAPSA-N 441.527 5.970 30 10 IKEE CC(=O)c1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2324982703 KOWKSASLMTVAQG-UHFFFAOYSA-N 447.874 5.176 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4c(C)cccc4CC)ccc3C2=O)cc1 2325005325 WNUGBRWGMVUJKZ-UHFFFAOYSA-N 441.527 5.754 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(C(C)C)cc2)ccc2c1OC(=Cc1ccncc1)C2=O 2325318752 SXWHABCSLQODHM-UHFFFAOYSA-N 428.488 5.147 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(Cl)cc2)ccc2c1OC(=CC=Cc1ccccc1)C2=O 2325513672 BMPMEKNCQKSKCN-UHFFFAOYSA-N 445.902 5.838 30 10 IKEE CCCCCOc1ccc(C=Nn2c(C)nnc2SCc2cccc(Cl)c2)cc1 2325632794 ZOBVFXANQAYGEP-UHFFFAOYSA-N 428.989 5.983 30 10 IKEE O=[N+]([O-])c1cc(C=Nn2cnnc2SCc2c(Cl)cccc2Cl)ccc1Cl 2325659420 TXWMHPDYGXOXKY-UHFFFAOYSA-N 442.715 5.321 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cc(C)cc(C)c3)c2)cc1 2325739003 QHIDILDWXKGJLL-UHFFFAOYSA-N 444.527 6.216 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2cccc(OC(=O)CCc3ccc(Cl)cc3)c2)cc1 2325746429 QKTJJJBMRUEGAX-UHFFFAOYSA-N 446.974 7.072 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1cccc(C=CC(=O)c2ccc3c(c2)OCO3)c1 2325747296 ZGEGYECTCJRYMW-UHFFFAOYSA-N 436.463 5.613 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1OC(=O)c1cc(Cl)ccc1OC 2325750902 LOCSYPZOCFTRNQ-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cccc(F)c3)c2)c(OCC)c1 2325762824 BUMPYSMXLCSTBS-UHFFFAOYSA-N 434.463 5.738 30 10 IKEE O=C(CCc1ccccc1)Oc1cccc(C=CC(=O)c2cc(Cl)ccc2Cl)c1 2325774548 DHWKQUADIHWPGL-UHFFFAOYSA-N 425.311 6.428 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1ccc(F)cc1 2325940932 TZNQDMQWPIZBJP-UHFFFAOYSA-N 445.361 5.321 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(OCC)cc1OCC 2326251906 SKPGYBJALRBXSM-UHFFFAOYSA-N 442.560 5.342 30 10 IKEE CCCCOc1cccc(C=Nn2c(CCC)nnc2SCc2cc(C)cc(C)c2)c1 2326415974 RFGFPRCMFFNMDV-UHFFFAOYSA-N 436.625 6.201 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccccc2O)c(C)c1 2326458408 RTSIOUKGYZMFIS-UHFFFAOYSA-N 442.588 5.560 30 10 IKEE CCn1cc(C=Nn2c(C)nnc2SCc2c(F)cccc2Cl)c2ccccc21 2326567850 SWFFNSKFYSPOLE-UHFFFAOYSA-N 427.936 5.528 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3F)n2N=Cc2ccc(C)cc2)cc1 2329278312 UZMHVQLKNCUVMB-UHFFFAOYSA-N 446.551 5.500 30 10 IKEE Cc1ccc(C)c(CSc2nnc(COCc3ccccc3)n2N=Cc2ccc[nH]2)c1 2329342981 ISHFLNIKCDGPDE-UHFFFAOYSA-N 431.565 5.114 30 10 IKEE CCCOc1ccc(C=NNC(=S)NC(c2ccccc2)c2ccccc2)cc1OCC 2330451882 HXEROKHWVFMAKJ-UHFFFAOYSA-N 447.604 5.462 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3OC)c(Cl)c2)cc1 2330743666 MEFDCMQVKCFMJU-UHFFFAOYSA-N 434.919 5.955 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(CC(C)(C)C)n2N=Cc2ccccc2)c1 2330821871 QZYBRSGWCVGCQE-UHFFFAOYSA-N 435.597 5.097 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1cccc(F)c1 2330824038 PIJIQDZCHGIQEM-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc(F)c2)cc1)c1ccc(Br)cc1 2330881450 APXMXSHCKNKVDY-UHFFFAOYSA-N 425.253 5.704 30 10 IKEE O=C(Cc1cc(Cl)ccc1Cl)Oc1ccc(C=CC(=O)c2ccccc2)cc1Cl 2331165710 RRMKOPJTHJGJBS-UHFFFAOYSA-N 445.729 6.691 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)c1cc(OC)cc(OC)c1 2331179210 XKCNQNFWMNVOND-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE COc1ccc(OC)c(C=Nn2c(SCc3cc(C)ccc3C)nnc2-c2ccco2)c1 2331208323 RFSSOMMULAVMDW-UHFFFAOYSA-N 448.548 5.347 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)c(C)c3)cc2)cc1 2331294037 ISNHTRMUTZQPBM-UHFFFAOYSA-N 428.528 6.136 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)Cc2cccc3ccccc23)cc1 2331351704 QNOXVUKCVJMMHS-UHFFFAOYSA-N 436.507 6.201 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)cc([N+](=O)[O-])c1OC(=O)CC(C)C 2331364398 BHUPVLCGWJXPHQ-UHFFFAOYSA-N 441.480 5.158 30 10 IKEE CCCSc1nnc(CC(C)C)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2331463376 BHIKOLZFWMDPHS-UHFFFAOYSA-N 443.016 6.093 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1Cl 2331472402 QIHHEYXUKTWMQB-UHFFFAOYSA-N 432.947 7.265 30 10 IKEE COCc1nnc(SCc2ccccc2)n1N=Cc1cccc(OCc2ccccc2)c1 2331575141 LAPJFSYUPZSRJL-UHFFFAOYSA-N 444.560 5.178 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2c[nH]c3ccccc23)cc1 2331682912 RFZWXTJTNLHIPI-UHFFFAOYSA-N 446.580 5.058 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)[C@H](C)c3ccccc3)c([N+](=O)[O-])c2)c(C)c1 2331770319 CPBMGPNFFMRXKT-HXUWFJFHSA-N 443.499 6.125 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3cc(Cl)ccc3Cl)cc2)cc1C 2331859076 IBPKBEZMHKSZDM-UHFFFAOYSA-N 439.338 6.654 30 10 IKEE Cc1cc(NC(=O)OC(C)(C)C)cc(Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)c1 2364746572 ZKWJXPBYNQIIQS-UHFFFAOYSA-N 449.360 5.257 30 10 IKEE CCCN[C@@H](C#C[C@@H]1CC1(F)F)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2366696878 WOPGBRHRYCBRBP-DYVFJYSZSA-N 443.332 5.495 30 10 IKEE C=CCN(C[C@@H](NCC)c1c(C)c(C)c(Br)c(C)c1C)C(=O)OC(C)(C)C 2372285927 ABJNNJBBGYGIRJ-GOSISDBHSA-N 439.438 5.756 30 10 IKEE O=C(O)c1ccc(/C(=N\N=C(/c2ccccc2)c2ccc(C(=O)O)cc2)c2ccccc2)cc1 20508489 DGSUQHNXYJJRAX-ZUSIYWPSSA-N 448.478 5.373 30 10 IKEE CC(C)Oc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(C(C)(C)C)cc1)C2 21221293 BTXVZVVHDLRGCK-UGKGYDQZSA-N 431.576 5.776 30 10 IKEE COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C(C)C)cc2)c1 21227137 KWEGIERBAXBWCR-ZTOMLWHTSA-N 438.571 6.798 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(OC(=O)c3ccccc3Br)cc2)c1 34954832 NDVRHNRJBOFTKH-NTEUORMPSA-N 437.289 5.573 30 10 IKEE COc1ccc(C(=O)/C=C\c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)c(OC)c1 34955198 QWFNHVFYOBQIDZ-IUXPMGMMSA-N 444.527 6.117 30 10 IKEE C=CCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2[C@@H]1c1ccc(OCCC)c(OCC)c1 38593875 YOPOWIWUENANGP-DEOSSOPVSA-N 447.531 5.329 30 10 IKEE C=CCc1ccccc1OCCCCn1c(COc2ccccc2Cl)nc2ccccc21 40233053 LHVKVMAXEVLGQU-UHFFFAOYSA-N 446.978 6.856 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O3)CN(Cc1cccnc1)CO2 41648297 JPZYUZPGCUGIFD-CFRMEGHHSA-N 440.543 5.656 30 10 IKEE Cc1c(OC(=O)Nc2ccccc2)ccc2c1CCC/C2=N\OC(=O)Nc1ccccc1 59377376 SEZFYNXREFHIAH-XAYXJRQQSA-N 429.476 5.895 30 10 IKEE CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COC(=O)c1ccccc1)NC(C)=O 77272408 VEPYGQXEUMTGOL-UHIBZTAXSA-N 445.644 5.966 30 10 IKEE in-vitro C=CCOC(=O)c1sc(NC(=O)/C=C/c2ccc(C(C)C)cc2)c(C(=O)OCC)c1C 96512135 AGXNZMGGHHSANF-JLHYYAGUSA-N 441.549 5.351 30 10 IKEE Cc1c(C(=O)N2CCCc3ccccc32)oc2c1/C(=N\Nc1ccccc1)CC(C)(C)C2 101108993 QVXZCDNROZELBP-ANYBSYGZSA-N 427.548 5.970 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccc(F)cc2)c1 169929337 ULQOICZEVMKWGI-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE CCN1C(=S)N[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(C(C)=O)=C1C 169933448 DPNLUMNDFKWPCQ-OAQYLSRUSA-N 449.403 5.687 30 10 IKEE CN1C(=S)N[C@@H](c2cccc(OCc3ccc(Cl)cc3Cl)c2)C2=C1CCCC2=O 169936826 ZTIIMLKXBUYJPR-NRFANRHFSA-N 447.387 5.441 30 10 IKEE CC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccccc1OCc1ccc(Cl)c(Cl)c1 169936863 TUXHMQCJCMRVPF-FQEVSTJZSA-N 435.376 5.296 30 10 IKEE CCOC(=O)c1sc(N/N=C\c2cc(Cl)c(OCC(C)C)c(Cl)c2)nc1C 169942620 CBGDUBLKBGRGAA-WNFQYIGGSA-N 430.357 5.416 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2ccncc2)c1 170019283 WLEPBYNKCOVMSY-JOCHJYFZSA-N 448.906 5.225 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@@H]2c2ccncc2)c1 170022146 QJRVHYDKAGUBFK-JOCHJYFZSA-N 432.907 5.443 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(Cl)cc1)c1cccc(Cl)c1 170059758 LSSMPCFQXQBRAK-FQEVSTJZSA-N 430.331 5.904 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2ccccc2C)cc1 170088610 WDNRFIRDEJISGP-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2sccc2C)cc1 170105702 YDVPCPHZZSDWAB-OAQYLSRUSA-N 449.528 5.165 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2cccs2)c1 170156077 UBAUIWBGGLALIU-QFIPXVFZSA-N 433.529 5.547 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2cccnc2)c1 170187665 LNSVJHRHKYRMOI-DEOSSOPVSA-N 442.515 5.270 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccccc2)c1 170223677 XSRARMJAYCUYBJ-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE COCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1ccc(Cl)cc1 170234976 UTTNENHZHHHTFP-NRFANRHFSA-N 441.955 5.171 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2C)c1 170275467 KJMZRMZZPYGEFS-JOCHJYFZSA-N 439.939 5.568 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@@H]1c1ccccc1C 170277243 NJFXIWHRIFLGNC-NRFANRHFSA-N 427.928 5.426 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccco2)cc1 170285383 AHPQXFXBHHBGAS-DEOSSOPVSA-N 439.467 5.614 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(C(C)(C)C)cc2)cc1 170390413 DLEYVCHLOJOAIW-HSZRJFAPSA-N 445.584 6.391 30 10 IKEE CSc1nnc(C(F)F)n1N=Cc1ccc(COc2cc(Cl)ccc2Cl)o1 254301660 APCMPYHQNMBVTN-UHFFFAOYSA-N 433.267 5.299 30 10 IKEE C=C(C)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]21C 257472068 LFPVZIIPFONRSW-RAKZZFMFSA-N 426.729 8.025 30 10 IKEE endogenous,in-man C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1ccc(Br)c(Cl)c1F 407173655 ACUOONYISSLDKB-CJNGLKHVSA-N 435.765 5.362 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cn(C)c3ccccc23)c1 526607120 RLTKQSIYLPSERZ-RUZDIDTESA-N 435.483 5.116 30 10 IKEE COc1ccc(/C=N\n2c(C)nnc2SCc2ccc(Cl)cc2)c(Cl)c1OC 526806638 NZZIPIBFNQWAAB-YVNNLAQVSA-N 437.352 5.085 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1ccc(N(CC)CC)cc1 526809354 JCHAZOOMNBAMTC-IMRQLAEWSA-N 449.668 6.258 30 10 IKEE CCCCOc1ccc(/C=N\n2cnnc2SCc2cccc(Cl)c2)cc1OCC 526812344 PKATWOABXFFHCL-QFEZKATASA-N 444.988 5.684 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1c(F)cccc1Cl 526822273 IBGWNMLSHVVVQL-MXAYSNPKSA-N 427.936 5.459 30 10 IKEE CC(=O)ON=C(C)[C@@]12C[C@@H]1C[C@@H]1[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C 607747290 GGQIDQJAIYDGEX-FYHQAXHQSA-N 427.585 5.436 30 10 IKEE N#Cc1ccc(Nc2cc(Cl)ccc2I)cc1Br 690211025 DDBUDDCDVFKRRT-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](Nc3cc(Br)ccc3C#N)C(C)(C)[C@H]21 693668949 SOBMMMOVEVYXGI-NJAFHUGGSA-N 434.378 5.157 30 10 IKEE COc1ccc(Br)cc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 698849125 BVBVCTRSFNWPMF-QGZVFWFLSA-N 435.293 5.603 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@@H](C#N)c1cc(Br)cs1 698904931 ZTGWGVUFDCODDA-AWEZNQCLSA-N 427.751 6.170 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)CC1 704044614 SSOXIJLFSMIYSA-HSZRJFAPSA-N 449.979 5.765 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 724030897 FJBWGDJLSMBTKE-HOYKHHGWSA-N 435.609 5.676 30 10 IKEE Cc1nc(NN=Cc2ccc(OC(=O)c3ccc(Br)cc3)cc2)sc1C 1083875091 HYRFHDHCWMMTLD-UHFFFAOYSA-N 430.327 5.188 30 10 IKEE CCCCc1ccc(N=Cc2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 1084249501 GLAXAPHKLWXNNE-UHFFFAOYSA-N 448.813 7.940 30 10 IKEE CSc1ccccc1N/C(=N/C[C@@H]1CCC[C@H](CN)C1)N1CCC[C@@H]2CCCC[C@H]21 1088652287 CMKPTBUECZMHFK-OQLXKQOESA-N 428.690 5.596 30 10 IKEE CCCCCCOc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CS)cc1 1614621931 ZJXTYPBIMSMHIT-VWNXMTODSA-N 427.610 5.928 30 10 IKEE O=C1/C(=C\C=C\c2ccco2)S/C(=N/c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 1614804714 CFGAMOYWVKJKCJ-HYLNWHCQSA-N 441.339 6.951 30 10 IKEE C/C(=C1/SC(=Nc2cccc(C)n2)N(C2CCCCC2)C1=O)c1ccc([N+](=O)[O-])cc1 1772737773 PFJDZLNILRBEKB-QWKKMKHHSA-N 436.537 5.625 30 10 IKEE CCOc1ccc(CC(=O)Nc2ccc(Cl)c(NC(=O)c3cccc(C#N)c3)c2)cc1 1860448714 WNKXNOFXVUSLET-UHFFFAOYSA-N 433.895 5.044 30 10 IKEE N#Cc1cccc(C(=O)Nc2cc(C(=O)NC3CCCCCCCCCCC3)ccn2)c1 1860529778 OIHUHUMHZQWMQG-UHFFFAOYSA-N 432.568 5.609 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1cccc(Cl)c1 1862381195 UJVMQKDIEWIHSR-SFHVURJKSA-N 438.738 5.881 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@H](C)CC)cc1 1862421208 FJUVHMIZCVJMLR-QRQCRPRQSA-N 443.490 5.521 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862449004 ABFCYBDUTCTPHC-VFNWGFHPSA-N 425.956 6.014 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1cccc(F)c1)c1c(F)cc(F)cc1F 1862457811 YOUSUADAJCDTLT-OAQYLSRUSA-N 447.428 5.544 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(N(CC)CC)cc1 1862482100 JOYSPJAHSJWLBC-DEOSSOPVSA-N 434.580 5.610 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc2c(c1)CCCN2C 1862482482 OEIXKRKMXGBDOU-RUZDIDTESA-N 446.591 5.536 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccc(O)cc2)cc1 1862490605 ZKYGHPRTGOLDSP-VWLOTQADSA-N 441.527 5.138 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc3cc[nH]c3c2)c1 1862490825 DWGWGZGGAVZWBO-QHCPKHFHSA-N 426.472 5.156 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccccc1F 1862501362 BCOBACPQFOYXOB-FDDCHVKYSA-N 441.518 6.210 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccc(C)cc2)c1 1862501416 BSMSJCOGZJNSTJ-DEOSSOPVSA-N 445.490 5.230 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2cc(C)ccc2C)cc1 1862507315 IUVZUCLJJFUXCW-VWLOTQADSA-N 443.518 5.838 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(Cl)cc1Cl 1862508819 RBCJMLYQXODWFK-LJQANCHMSA-N 436.310 5.819 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccc(Cl)cc2Cl)cc1 1862521852 RTCNNDLJYKRXRP-FQEVSTJZSA-N 448.346 5.769 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862528248 ROQRLCHEBBXFQI-IBGZPJMESA-N 442.353 5.345 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2cccc(Br)c2)cc1 1862540433 NPEVFJZATZSXQB-XOBRGWDASA-N 442.353 5.388 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(C(C)(C)C)cc1 1862549670 UPONSUTZAXKDFB-DEOSSOPVSA-N 431.576 5.850 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccccc1F 1862590085 AQXBBVRDOZUZHI-JTSKRJEESA-N 425.500 5.469 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2c(Cl)cccc2Cl)cc1 1862667843 LDXBUHWGHAGVJX-RNODOKPDSA-N 448.346 5.076 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccc(Br)cc2)cc1 1862670473 UYORJBIBESYOIE-HXUWFJFHSA-N 440.337 5.313 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccccc2C)c1 1862698758 NHFPJTIZMUREJO-MHECFPHRSA-N 427.500 5.343 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2ccccc2)c1 1862698909 OBCOKXUJFSZRNZ-XMMPIXPASA-N 427.500 5.091 30 10 IKEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc(Cl)c1 1862712088 JGDKQHWRAMLXJT-HSZRJFAPSA-N 448.950 5.023 30 10 IKEE N#Cc1ccccc1NC1=C(c2ccccc2Cl)C(=O)N(C2CCCCCCC2)C1=O 1863452267 FOLKUPPYGDGOPC-UHFFFAOYSA-N 433.939 5.517 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N1[C@@H]2CCCC[C@H]2[C@H]2CCCC[C@H]21 1866342528 OIEVPQUPYILDBG-VJLHXPKFSA-N 445.776 9.208 30 10 IKEE CCC[C@H](NC(=O)C[C@@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866742004 RHLFPSPJVWJJKB-RPBOFIJWSA-N 433.596 5.735 30 10 IKEE CC(C)c1nc(Nc2ccc(C#N)cc2)cc(N2C[C@H](c3ccc(F)cc3)O[C@H](C)C2)n1 1868242749 QRADNDCZZDOOBM-VGOFRKELSA-N 431.515 5.321 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3cc(OC)ccc3[C@@H]2C)nc(-c2ccccc2)n1 1869199034 GMUQLBZGPGDPLC-FQEVSTJZSA-N 426.564 5.454 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(Cl)cc2)c(CN(CC)CCCC)cc1=O 1870414736 YDMYZYIVLDHINM-UHFFFAOYSA-N 447.063 6.521 30 10 IKEE C=CCOc1cn(Cc2ccccc2C)c(CNc2ccc(N3CCCCC3)cc2)cc1=O 1870809651 OCPZIKAXGFNWMT-UHFFFAOYSA-N 443.591 5.372 30 10 IKEE CCCCCCCCCCn1cc(OCCCC)c(=O)cc1CNc1ccc(C)cc1 1871112852 WYIIESVFUBTFDE-UHFFFAOYSA-N 426.645 7.088 30 10 IKEE C=CCn1cc(OCCCOc2ccc(C)cc2)c(=O)cc1CNc1cccc(C)c1C 1871216029 FZSJLHHVUKLECH-UHFFFAOYSA-N 432.564 5.420 30 10 IKEE O=C1/C(=C/c2ccccc2OC(F)F)Oc2c1ccc1c2CN(C2CCCCCC2)CO1 1871351808 AURLYAFHQZYSRD-XKZIYDEJSA-N 441.474 5.779 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc4c(c1)OCO4)C3=O)CN([C@@H]1CCCC[C@H]1C)CO2 1871355891 LKHJUWMNFFEARM-SREFUUCOSA-N 433.504 5.071 30 10 IKEE Cc1cccc(CN2COc3c(cc4c(c3C)O/C(=C\c3ccccc3Cl)C4=O)C2)c1 1871359518 OQVGQCFWNRCEFX-FMCGGJTJSA-N 431.919 5.925 30 10 IKEE Cc1c(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc2c1O/C(=C\c1cccs1)C2=O 1871372974 UYZZAVBVLDBRTL-ZDLGFXPLSA-N 441.848 5.454 30 10 IKEE Cc1c(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc2c1O/C(=C\c1cccs1)C2=O 1871374096 QRVUBEFDQQWOOX-ZDLGFXPLSA-N 441.848 5.454 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3)cc(C)c2C1=O 1871374787 CSPYJLDIRMINQI-RMAQBEHBSA-N 436.916 6.253 30 10 IKEE Cc1c(OC(=O)/C=C/c2cccs2)ccc2c1O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 1871380922 JJLUOMNDXIUDHX-OLKAJYLJSA-N 433.441 5.200 30 10 IKEE Cc1cc(OC(=O)COc2ccc(Cl)cc2)cc2c1C(=O)/C(=C/c1ccc(F)cc1)O2 1871381498 XXCIKAKVYSEOCG-NHDPSOOVSA-N 438.838 5.388 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OC(=O)C=C(C)C)cc(C)c3C2=O)c2cc(OC)ccc21 1871384920 PYVPMUPLCGJXIF-KSEXSDGBSA-N 431.488 5.466 30 10 IKEE COc1cccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4cccc(C)c4C)ccc3C2=O)c1 1871414340 SRPJJCSEIMRFOX-DBXOKZBGSA-N 443.499 5.334 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4cc(C)cc(C)c4)c3C)C2=O)cc1 1871454565 RQCGDOVIXARTBP-MYYYXRDXSA-N 441.527 5.808 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)CCCC 1871801665 LXULCYBYMNCERY-HXUWFJFHSA-N 429.026 5.154 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[C@H](C)CC)S(=O)(=O)c1ccccc1 1872027098 ZJQYGXXRMIRDDH-AUSIDOKSSA-N 442.625 5.214 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cccc(C(C)(C)C)c1)[C@H](C)CC)S(=O)(=O)CCCC 1872234541 OSTSQWJQDJHUOQ-KNQAVFIVSA-N 436.662 5.345 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cc(Cl)ccc1C)[C@H](C)CC)S(=O)(=O)CCCC 1872472024 KXFSTPLVLUMVOE-OXQOHEQNSA-N 429.026 5.010 30 10 IKEE NC1=C(c2nc(-c3ccccc3)c(-c3ccccc3)s2)C(=O)CN1Cc1cccs1 1872725595 QRUDBZVYIFWALY-UHFFFAOYSA-N 429.570 5.251 30 10 IKEE Cc1sc([C@@H](C#N)C(=O)CSc2nc3ccccc3s2)nc1-c1ccc(F)cc1 1872728000 JWLOVXJUDCBRIC-HNNXBMFYSA-N 439.562 5.836 30 10 IKEE COc1cccc(OC)c1C(=O)[C@H](C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872759755 YWDQTGSZVUSCHU-FQEVSTJZSA-N 440.524 5.984 30 10 IKEE CCc1ccc(-c2csc([C@H](C#N)C(=O)/C(=C\c3ccccc3)c3ccccc3)n2)cc1 1872761351 LQUKOBGNFLSXRL-HRRCHGLFSA-N 434.564 6.790 30 10 IKEE CC(C)(C)c1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 1872773521 PTEBNINLQVBRBG-KRWDZBQOSA-N 439.924 6.159 30 10 IKEE CCCCCCCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3sccc3C)n2)cc1 1872776239 LHGGLRGVGKCHOK-FQEVSTJZSA-N 438.618 7.019 30 10 IKEE CC(C)c1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(Oc4ccccc4)c3)n2)cc1 1872776750 WPJDFFCRZJPVOS-XMMPIXPASA-N 438.552 7.216 30 10 IKEE CCOC(=O)Oc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc1 1872776903 AFDRCTZJWSRUSK-HNNXBMFYSA-N 428.416 5.114 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccccc3C(C)C)n2)cc1C 1872788049 VZVBQYWLVHFKTL-NQIIRXRSSA-N 448.588 6.203 30 10 IKEE CCCCCCCCNC1=C(c2c(C)cc(C)cc2C)C(=O)N([C@H]2CCCC[C@H]2C)C1=O 1873120889 JHIMTXVMILJZKK-OFNKIYASSA-N 438.656 6.221 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2c(C)cc(C)cc2C)C1=O 1873327794 CYSKNCVADLLDLY-QHCPKHFHSA-N 443.591 6.034 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1cnc2ccccc2n1 1873501254 XFZJTHFDBZRMEF-BRJLIKDPSA-N 440.935 5.141 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1cccc(C(F)(F)F)c1)n2CC=C 1873656527 CLSAVGARAQVKHF-UHFFFAOYSA-N 441.457 5.067 30 10 IKEE CCCCCCCCNC(=O)c1ccc2c(=O)n(-c3cccc(C(F)(F)F)c3)cnc2c1 1873886150 JHAKPBXDYCONRL-UHFFFAOYSA-N 445.485 5.495 30 10 IKEE CCCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccccn1 1874194012 SXZCGAFJWKNKIC-MFKUBSTISA-N 444.004 5.339 30 10 IKEE CCCOc1cccc(/C=N/n2c(COc3ccc(Cl)c(C)c3)nnc2SCC)c1 1874230421 IURQTLFTBXDSNW-ZVHZXABRSA-N 444.988 5.602 30 10 IKEE Cc1ccccc1CSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccc[nH]1 1874262692 LUUVTJIYHLAGNU-DHRITJCHSA-N 437.956 5.322 30 10 IKEE CCCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874284373 CZQZMMVFGOGKCT-HYARGMPZSA-N 429.933 5.009 30 10 IKEE Cc1ccccc1/C=N/n1c(Cc2ccccc2[N+](=O)[O-])nnc1SCc1ccccc1 1874297040 HZMQYIJGOKHNOV-PCLIKHOPSA-N 443.532 5.260 30 10 IKEE C=C(C)CSc1nnc(COc2c(C)cccc2C)n1/N=C/c1ccccc1Cl 1874300361 GSWWJTYWQAXNAT-WYMPLXKRSA-N 426.973 5.678 30 10 IKEE COc1ccccc1CCc1nnc(SCc2ccccc2)n1/N=C/c1ccccc1 1874314407 RNLFXCNENQHHOJ-NLRVBDNBSA-N 428.561 5.246 30 10 IKEE C=CCSc1nnc(CCc2cccs2)n1/N=C/c1ccc(OCC)c(OCC)c1 1874372426 YOWDIFSIDOETJE-XQNSMLJCSA-N 442.610 5.083 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(C)c3)n2/N=C/c2ccccc2F)cc1 1874388466 NLVMGCWWHKKEAD-JVWAILMASA-N 430.552 5.799 30 10 IKEE CCOc1cccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccccc2)c1 1874407814 QNSXJVVKGLLHHO-NLRVBDNBSA-N 434.609 5.974 30 10 IKEE CCc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCc2ccccc2F)cc1 1874412843 YUFGHXQZOSENLY-MFKUBSTISA-N 436.581 5.806 30 10 IKEE Oc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2Cl)cc1 1874416818 JTLLIKIQXWJSJT-MFKUBSTISA-N 434.952 5.402 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccccc3)n2/N=C/c2ccccc2OC(C)C)c1 1874427211 WVONKALXGKDSFI-WPWMEQJKSA-N 442.588 6.215 30 10 IKEE Fc1cccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2-c2ccccc2)c1 1874430212 YEXNKMZHHZOKSE-LGJNPRDNSA-N 440.906 6.051 30 10 IKEE COc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2[C@@H]2CCCO2)cc1 1874453854 UDBLBYHKHPFDKP-OGBFJMLUSA-N 446.935 5.105 30 10 IKEE CCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1/N=C/c1ccc(C(C)C)cc1 1874524142 YIYRQXQBDDWTGM-AFUMVMLFSA-N 435.597 5.194 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(S)nnc2CCCOc2ccc(C)cc2)cc1 1874566739 LRKVMXBTHZNCBS-XIEYBQDHSA-N 438.597 5.338 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)NC2CCCCC2)cc1 1874574002 PTYVDWHMDCWBGS-VHEBQXMUSA-N 449.591 5.762 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(C)c2)cc1 1874579647 ZUWVAODYOFRSII-FMIVXFBMSA-N 433.935 6.179 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccccc1OCC(=O)NCc1ccco1 1874584322 IPVKLTXMYDWCPU-ACCUITESSA-N 447.531 5.177 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cc(Br)ccc2OCc2ccccc2C)c(C)c1 1874589737 APBOGEROXATLTR-PKNBQFBNSA-N 449.388 7.158 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OCC(=O)Nc1c(C)cccc1C 1874594382 HKOAPZGYCYWNLF-WYMLVPIESA-N 445.515 5.234 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OCC(=O)N[C@H](C)c3ccccc3)c2)cc1C 1874600082 RNTUOJXWCZRSCL-QZMUEMGWSA-N 443.543 5.464 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3ccccc3C)c(OC)c2)cc1 1874613604 DDFXFCSTSKMDFG-XNTDXEJSSA-N 432.516 5.886 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OCc1cccc(F)c1 1874617485 DWRKXDDQXGVUNJ-ACCUITESSA-N 430.519 6.655 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)c1OCc1cccc(F)c1 1874618173 NJGCDSXZIFFXQF-ZHACJKMWSA-N 438.926 6.970 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OCC(=O)Nc1cccc(C)c1 1874620410 YXFRYEWYCLRMRR-YRNVUSSQSA-N 433.479 5.365 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1cccc(/C=C/C(=O)c2ccccc2Cl)c1 1874696997 QPKHDBMNUOQUBK-GXDHUFHOSA-N 425.311 6.428 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccccc2Cl)c1 1874709601 KRMCHWJKCJPHHS-WYMLVPIESA-N 448.946 6.761 30 10 IKEE C=CCN(CC=C)CCC(=O)c1cccc(NC(=O)CCCOc2c(C)cccc2C)c1 1874723545 IHPHDDGRRXGVAV-UHFFFAOYSA-N 434.580 5.348 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1ccc(Cl)cc1 1875095935 OSLPWEVVWPCFGX-MKMNVTDBSA-N 442.898 6.617 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)c2[nH]c3ccc(C)cc3c2C)cc1 1875117385 CRLCJAWGFUDOMI-RVDMUPIBSA-N 425.484 5.909 30 10 IKEE Cc1cc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3F)cc2)ccc1Cl 1875120541 XVKZIDZHSMXGPL-NYYWCZLTSA-N 442.845 5.807 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc([N+](=O)[O-])c1OC(=O)C(F)(F)F 1875124516 ONSYTFGRGGZFJC-VOTSOKGWSA-N 443.761 5.011 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccc(F)cc1 1875132568 VNHDFLORLZTSSC-WTDSWWLTSA-N 445.273 6.256 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)Cc1ccc(OC)cc1 1875134135 RBZDVKSYVRZEEM-NTEUORMPSA-N 444.527 5.755 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3F)c(Cl)c2)c(C)c1C 1875167706 LHSQOGKOUBSHQJ-DHZHZOJOSA-N 438.882 6.220 30 10 IKEE C#CC[C@@H](C)C[C@H](NCCC)c1cc(Br)ccc1I 1887488213 GGWPEFMRKHKOSW-WBMJQRKESA-N 434.159 5.144 30 10 IKEE C=CC[C@H](C)[C@@H](NC)c1sc(Br)c(Br)c1Br 1903133306 OETOYDLKYQHFBF-IMTBSYHQSA-N 432.019 5.508 30 10 IKEE CCCCCCCCC[C@@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)NC 1947443085 VAMZZACPYIOHIM-DEOSSOPVSA-N 433.681 5.742 30 10 IKEE N#Cc1ccc([C@@H](CCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 1951611971 XYXMNSPMHLLWIF-XMMPIXPASA-N 426.472 5.003 30 10 IKEE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)[C@@H]2C[C@H](C(C)(C)C)CC[C@H]2C#N)C1 2006130893 VGZVEQBQMJTGNE-QZNHQXDQSA-N 425.617 5.462 30 10 IKEE CCCN[C@]1(C#N)CCC[C@H](CN(CCN(C)Cc2ccccc2)Cc2ccccc2)C1 2034739751 PPWHRZFEIDBVJL-WUFINQPMSA-N 432.656 5.073 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2070603597 VAZBMMVZYQJZDJ-MZNJEOGPSA-N 447.551 5.497 30 10 IKEE CC[C@@H](c1ccc(C)c(F)c1F)n1nc(C(C)C)c(C=NO)c1I 2079892625 CNYAKHHIQCLKOJ-ZDUSSCGKSA-N 447.267 5.005 30 10 IKEE Cc1cc(C)c([C@@H](C2CC2)n2nc(C3CC3)c(C#N)c2I)c(C)c1 2080004446 ALGLZDMYATYKMW-LJQANCHMSA-N 431.321 5.161 30 10 IKEE CCCOc1ccc([C@@H](C2CC2)n2nc(C3CC3)c(C#N)c2I)cc1 2080063266 AMVKFIKLGYTBGT-LJQANCHMSA-N 447.320 5.025 30 10 IKEE N#Cc1c(C2CCCC2)nn(Cc2ccc(C(F)(F)F)cc2Br)c1Cl 2080377149 DIUSQRXOFMWMHF-UHFFFAOYSA-N 432.671 5.895 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cccc(Br)c1Cl 2136570910 MZNIARGSDSVBHF-AEFFLSMTSA-N 443.813 5.450 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cccc(Br)c1C 2138864496 LARMGLLBJVGJQU-OALUTQOASA-N 425.411 5.658 30 10 IKEE C=CCN(CC[C@H](Cc1cc(Br)ccc1C)NCCC)C(=O)OC(C)(C)C 2155516276 IGQZXYNSXGKSIA-HXUWFJFHSA-N 439.438 5.481 30 10 IKEE COC[C@]1([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)CC=CCC1 2166536053 ZPCGMYBZXSNAHR-NQIIRXRSSA-N 435.362 5.456 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](CNc2ccc(C#N)c(Br)c2F)CC12CC2 2172016042 IBCGVRZHAYIXLV-CYBMUJFWSA-N 438.341 5.051 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(Br)c(C#N)c2)cc1F 2180963863 QKYUEVFRCGWFPF-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE C=CCCCCCCC[C@H](O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2214620084 DXDHOTOGHFQWHZ-JYFHCDHNSA-N 430.633 5.433 30 10 IKEE CCCCCCC[C@H](N)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229122287 FFBXZBSRLWYEFU-OALUTQOASA-N 427.427 5.573 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)C(CC)(CC)NC(=O)OC(C)(C)C 2235746482 JPRHQKOIWKMLIF-LJQANCHMSA-N 437.422 5.252 30 10 IKEE CC(C)[C@@H](CCNC(=O)OC(C)(C)C)CCC(=O)C#Cc1cccc(Br)c1 2296229516 KJLQTRWHNDEKAV-GOSISDBHSA-N 436.390 5.337 30 10 IKEE COc1ccc(-c2nn(-c3ccc(C)cc3)cc2C=NNC(=S)Nc2ccccc2)cc1 2296405347 YUAGBTPALORNPF-UHFFFAOYSA-N 441.560 5.177 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)C(=C(O)c4ccc(F)cc4)[C@H]3c3ccco3)sc2c1 2296932656 FULXJBHGTYQXPN-HXUWFJFHSA-N 448.475 5.217 30 10 IKEE C=CCN1C(=O)C(=Cc2cccc(OCCSc3ccc(Cl)cc3)c2)SC1=S 2297303594 KKLJDZZSEAAHFU-UHFFFAOYSA-N 448.034 5.898 30 10 IKEE Cc1cc2c(cc1C)CN(c1cccc(C(=O)C=Cc3ccc(Br)cc3)c1)C2 2313532285 GJVXFLJVYNNETG-UHFFFAOYSA-N 432.361 6.482 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccccc2F)c1)c1ccc(Br)cc1 2314429865 QNKKBVDFHHAPGO-UHFFFAOYSA-N 425.253 5.704 30 10 IKEE COc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1ccccc1C 2314429968 SNUMPGBTAUDNNC-UHFFFAOYSA-N 448.518 6.786 30 10 IKEE O=C(C=Cc1ccccc1F)c1ccc(OC(=O)c2ccccc2Br)cc1 2314430062 VKKVYTBDSHHXGE-UHFFFAOYSA-N 425.253 5.704 30 10 IKEE CC(=Cc1ccccc1)C=C1SC(=NN=Cc2ccccc2F)N(Cc2ccco2)C1=O 2314840875 GKGGPHXJSSIQFI-UHFFFAOYSA-N 445.519 5.872 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)C23CC(CCN2C(=O)OC(C)(C)C)C3)cc1 2318802633 DNADKEZAGKSYDZ-GTUCJRJXSA-N 441.572 5.418 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C)n2N=Cc2ccc(Cl)c(Cl)c2)c(C)c1 2321202210 OXHCURLOKMQUBE-UHFFFAOYSA-N 448.379 5.123 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@H](C#N)[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 2321351081 HCOWLAKOCDKXMP-RTBURBONSA-N 445.535 5.249 30 10 IKEE COc1ccc(OC)c(C=C2Oc3cc(OCc4cccc(Cl)c4)cc(C)c3C2=O)c1 2321762423 GDBRGRCQPIFRIA-UHFFFAOYSA-N 436.891 5.861 30 10 IKEE Cc1c(OCc2ccc(Cl)cc2Cl)ccc2c1OC(=Cc1cccc(F)c1)C2=O 2321784446 WYFVVJABIVLICZ-UHFFFAOYSA-N 429.274 6.636 30 10 IKEE CC(C)(C)Cc1nnc(S)n1N=Cc1c(OCc2ccccc2)ccc2ccccc12 2321936846 PBWDWSXUNOPCSD-UHFFFAOYSA-N 430.577 5.770 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1c(F)cccc1Cl)O3)CN([C@H]1CCCC[C@H]1C)CO2 2322153215 KSFAAOLTXYFSRA-VLIAUNLRSA-N 441.930 6.134 30 10 IKEE CCCCCCCCN1COc2ccc3c(c2C1)OC(=Cc1c(F)cccc1Cl)C3=O 2322188406 WGOUZVOESQOGMT-UHFFFAOYSA-N 443.946 6.608 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCc2ccc(C)cc2)cc1C 2322415837 YMXDGHXQJSMVPI-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccccc2)c1OCc1c(Cl)cccc1Cl 2322545772 OSVZIFSJGVCNJW-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2cc(C)c3c(c2)OC(=CC=Cc2ccccc2)C3=O)c1 2322807045 PCNXDSKPVGKBFO-UHFFFAOYSA-N 442.467 5.404 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc2c(c1)OC(=Cc1ccccc1Cl)C2=O 2323169106 FGOPXEGXRVYOAL-UHFFFAOYSA-N 448.902 6.029 30 10 IKEE CCCCCCCCCOc1ccc(C=NNc2cnn(C)c(=O)c2Cl)cc1OC 2323222785 QRYBFYOSKDDGKK-UHFFFAOYSA-N 434.968 5.018 30 10 IKEE CC(C)Oc1c(Cl)cc(C=Nn2c(S)nnc2Cc2ccc(F)cc2)cc1Cl 2323544065 LMODIIVKQHLBOL-UHFFFAOYSA-N 439.343 5.273 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1 2323627781 VYGDLZFGVWUZNZ-UHFFFAOYSA-N 448.858 5.409 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)c4ccc(-n5cccc5)cc4)cc(C)c3C2=O)cc1 2323676508 BZAURKYJFOGURR-UHFFFAOYSA-N 449.506 6.184 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OC(=O)CCOc3ccccc3)ccc2C1=O 2323678105 NETSCNYAWKPPHI-UHFFFAOYSA-N 430.456 5.076 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cc(C)cc(C)c3)c(Cl)c2)cc1 2323900471 RQDBJESIMLQCTB-UHFFFAOYSA-N 433.935 6.179 30 10 IKEE Cc1ccccc1C=C1Oc2cc(O[C@@H](C)C(=O)Nc3ccccc3Cl)ccc2C1=O 2324388964 SPNYJHCHEAJVSB-INIZCTEOSA-N 433.891 5.671 30 10 IKEE Cc1ccc(OCCCOc2ccc3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1 2324545075 CHPAFGIWTDUAPJ-UHFFFAOYSA-N 428.528 6.583 30 10 IKEE COC(=O)COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1Br 2324574649 IIPGWZIEPPTYHN-UHFFFAOYSA-N 445.353 5.503 30 10 IKEE Cc1cc(OCC(=O)OCC(C)C)cc2c1C(=O)C(=Cc1c(Cl)cccc1Cl)O2 2325068823 UKIUXHFJTINVLF-UHFFFAOYSA-N 435.303 5.496 30 10 IKEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1cccc(Cl)c1 2325513408 BVKWYIGJMZYJJT-UHFFFAOYSA-N 429.933 5.357 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(F)c(Cl)c2)ccc2c1OC(=Cc1ccco1)C2=O 2325592934 UONPMEWTOCHXSN-UHFFFAOYSA-N 427.815 5.014 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCC(=O)Nc3cccc(Cl)c3)ccc2C1=O 2325716921 DVENUBMOZZUVKT-UHFFFAOYSA-N 449.890 5.372 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(-n3cccc3)cc2)c1)c1cccc(Cl)c1 2325728451 AFXYESFUAJWRAX-UHFFFAOYSA-N 427.887 6.246 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2cccc(C=CC(=O)c3ccc(C)c(C)c3)c2)c1 2325760360 BXEYHFYMUNRKHL-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE COc1cccc(C(=O)Oc2cccc(C=CC(=O)c3cc(C(C)(C)C)ccc3C)c2)c1 2325765648 GSZMYYLANMWCEN-UHFFFAOYSA-N 428.528 6.416 30 10 IKEE CCCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1N=Cc1cccnc1 2325812493 XBAYTMUKLFQXQY-UHFFFAOYSA-N 444.004 5.339 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2C)n1N=Cc1cccc(Cl)c1 2327092407 TUNKVZDEFYJTDO-UHFFFAOYSA-N 441.000 5.802 30 10 IKEE Cc1ccc(C)c(OCc2nnc(SCc3ccccc3)n2N=Cc2ccc[nH]2)c1C 2327272700 LTIUNDXGSCXQPR-UHFFFAOYSA-N 431.565 5.285 30 10 IKEE Cc1ccc(C=Nn2c(Cc3ccc(Cl)cc3)nnc2SCCc2ccccc2)cc1 2329103021 LDMLZTHTVUPMRX-UHFFFAOYSA-N 447.007 6.048 30 10 IKEE CCCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc(Br)cc1 2329117896 DCRVBLHTZZVFOE-UHFFFAOYSA-N 449.805 5.669 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cccnc1 2329768731 HMCOCQSJZFDARX-UHFFFAOYSA-N 437.931 5.231 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CC2CCCCC2)nnc1SCc1ccccc1 2330270007 JMUUWDCSTOABFI-UHFFFAOYSA-N 446.620 6.140 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC3CCCCC3)n2N=Cc2ccccc2F)c1 2330275656 OPGPFDQHCOIQJW-UHFFFAOYSA-N 436.600 6.331 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(Cl)c1OC(=O)C1CCC1 2330690311 AAXDTFBXVCLGFB-UHFFFAOYSA-N 438.951 6.219 30 10 IKEE CCCCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccc(CC)cc2)cc1OC 2330763089 RLQPGSXRCONDLO-UHFFFAOYSA-N 445.353 6.012 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(F)cc1F 2330849479 UUHRYCRKDAWEGX-UHFFFAOYSA-N 434.943 5.973 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)c(F)c3)c(Cl)c2)cc1C 2330862755 CFOBQAQNBDPCCT-UHFFFAOYSA-N 442.845 6.051 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)Cc1ccc(F)cc1 2331037151 LBJGWQQKBTXTHC-UHFFFAOYSA-N 449.434 5.177 30 10 IKEE O=C(COc1ccccc1)Oc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] 2331125880 ALCQTUOYRRCXMO-UHFFFAOYSA-N 437.835 5.129 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1OC 2331136421 YXVUVWOOFCMLAR-UHFFFAOYSA-N 428.956 6.901 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3)cc2)cc1 2331259056 FCVIXDDEPNLXEJ-UHFFFAOYSA-N 428.528 6.218 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OCCC)cc2)cc(OC)c1OC(=O)CCOC 2331311362 VFAWEMIKTGBDSL-UHFFFAOYSA-N 438.520 5.051 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3[N+](=O)[O-])cc2)cc1 2331411130 RASUUPBHBKJUBV-UHFFFAOYSA-N 443.499 5.937 30 10 IKEE C[C@@H](C(=O)Oc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1Cl)c1ccccc1 2331416058 KRPWENZXXLFYSG-LJQANCHMSA-N 446.974 7.243 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(F)c3)c(Cl)c2)cc1F 2331454111 XXOTUTROCDXSIY-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE C=CCSc1nnc(CC(C)C)n1N=Cc1ccc(OCc2ccccc2)c(OC)c1 2331461890 SJLGSYMZOVSQNL-UHFFFAOYSA-N 436.581 5.225 30 10 IKEE C=CCSc1nnc(C2CCC2)n1N=Cc1ccccc1OCc1ccccc1Cl 2331532250 SYWQPBWPUJOJRF-UHFFFAOYSA-N 438.984 5.938 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)ccc1OC(=O)[C@H]1CCCO1 2331869714 UIOVCPLTORZKLX-RUZDIDTESA-N 446.499 5.228 30 10 IKEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Cl)cc(Br)c1F 2337103450 VUMOSFMKRMPLKD-DOTOQJQBSA-N 447.776 5.199 30 10 IKEE CCC[C@@H](CCNC(=O)OC(C)(C)C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339583742 YKOHFCOUBIDIBX-LLLGYDHXSA-N 446.397 5.189 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCC[C@]23C[C@H](CO2)[C@H]13 2354171816 NZBCEGXPCBSOLN-HZNDTHDVSA-N 433.346 5.042 30 10 IKEE CN(Cc1cscc1Br)c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2365105578 AGZZUOVDNWAAEM-CMDGGOBGSA-N 435.196 5.187 30 10 IKEE COc1ccccc1SCc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1 2377296599 ZQFQZAUANXDFHT-UHFFFAOYSA-N 435.192 5.049 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O)c1ccc(F)cc1 2235142 MXHDOHIRQPTBTE-JAIQZWGSSA-N 439.236 5.424 30 10 IKEE Cc1ccc(/N=C2/S[C@H](CC(=O)Nc3c(C)cccc3C)C(=O)N2Cc2ccco2)cc1 3249087 VLVDAZOIXWWVEG-JMSHBIQUSA-N 447.560 5.365 30 10 IKEE COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(N(C)C)cc2)c1 20881545 LXPLNOJEHXGKEE-WTYVLRPYSA-N 439.559 5.741 30 10 IKEE COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)c1O 20882009 KNEJCWFDMKBFRX-IVCQMTBJSA-N 430.479 5.519 30 10 IKEE Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1[N+](=O)[O-] 21243415 BORALWHZHFQPMK-FYSMJZIKSA-N 431.517 5.944 30 10 IKEE COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc1 21244095 SVZADJPLPLXSFD-MRDQGFSESA-N 430.935 6.328 30 10 IKEE Cc1ccc(C(=O)C2=CN(c3cccc(C(F)(F)F)c3)c3ccccc3S2(=O)=O)cc1 32984175 FHOOWJKUIMCEAS-UHFFFAOYSA-N 443.446 5.664 30 10 IKEE C=CCn1c(SCc2ccc(C(=O)Nc3cccc(C)c3)cc2)nnc1-c1ccco1 37397725 JXXDEWTVROLXJS-UHFFFAOYSA-N 430.533 5.577 30 10 IKEE C=CCNC(=O)N(Cc1cccc(C)c1)c1ccc(CC(=O)NCc2cccc(C)c2)cc1 37558750 YMEPHFAFZSSBDQ-UHFFFAOYSA-N 441.575 5.065 30 10 IKEE Cc1c(C(=O)N2CCCCCC2)oc2c1/C(=N/Nc1cccc(C(F)(F)F)c1)CCC2 40824020 JPFIOPZCRIYTJN-MTDXEUNCSA-N 433.474 5.776 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)cc(C)c3C2=O)c1 41288621 OAKZGAMTYMTOLG-IWIPYMOSSA-N 426.512 6.436 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc4c3CN(CCc3ccc(F)cc3)CO4)C2=O)cc1 41658863 HYYUOMULRGKJQX-MYYYXRDXSA-N 429.491 5.399 30 10 IKEE Cc1ccc(CSc2nnc(N/N=C/c3ccccc3OCc3ccccc3)[nH]2)cc1 59019188 VTTCLQSPHLBYTC-MFKUBSTISA-N 429.549 5.430 30 10 IKEE C/C(=N\n1c(-c2ccc(C(C)(C)C)cc2)n[nH]c1=S)c1cccc(Br)c1 59168448 NYAKYIVABMVZKZ-ZMOGYAJESA-N 429.387 5.940 30 10 IKEE Cc1ccccc1NC(=O)c1cnn2c1NC1=C(C(=O)CCC1)[C@@H]2c1cccc(Cl)c1 64874258 MELTVQQZSJJIPE-QFIPXVFZSA-N 432.911 5.119 30 10 IKEE CCCCCCCCc1ccc(-c2ccc(C3=N/C(=C\c4cccs4)C(=O)O3)cc2)cc1 100166163 HTZZAPCWHPWGND-QOMWVZHYSA-N 443.612 7.663 30 10 IKEE Cc1cccc(N2C(=O)/C(=C3\Sc4ccccc4N3C)S/C2=N/Cc2ccccc2)c1 100267095 MICJGFDZXCOTBN-UXKFRGQBSA-N 443.597 6.042 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1ccc(OC)cc1[N+](=O)[O-] 100443778 ZEGMRUNABFVXMM-UHFFFAOYSA-N 437.606 6.118 30 10 IKEE CCCCCCCCCCCn1c([C@H](C)NC(=O)c2ccccc2C)nc2ccccc21 102114194 LNTCNEWAEKWLEC-QHCPKHFHSA-N 433.640 7.367 30 10 IKEE CCCCCCCCn1c(CCCCCNC(=O)c2ccc(C)cc2)nc2ccccc21 102172681 IWHBEQQFIKEHSV-UHFFFAOYSA-N 433.640 6.848 30 10 IKEE CCOc1cc(/C=N\Nc2nc3ccccc3s2)ccc1OCc1cccc(Cl)c1 169890307 OUVHCANOQZEJFJ-QFEZKATASA-N 437.952 6.373 30 10 IKEE CCCN1C(=S)N[C@H](c2ccc(OCC)cc2OCC)C(C(=O)c2ccccc2)=C1C 169928816 AJDDZFHKTMJULJ-HSZRJFAPSA-N 438.593 5.282 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@@H](c2cccc(OCc3ccc(F)cc3)c2)NC(=S)N1C 169935422 KQVOMSAJQZHRIB-XMMPIXPASA-N 446.547 5.423 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccc(O)cc2)cc1 169961369 CBJBBUAUJGJTGM-QFIPXVFZSA-N 449.890 5.227 30 10 IKEE CC(C)Oc1ccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2C2CCCC2)cc1 169979475 IEXXOHHPXNAFDX-VWLOTQADSA-N 433.548 5.314 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@@H]2c2cccnc2)s1 170008573 KAXSVYNBJNSJQT-OAQYLSRUSA-N 441.512 5.091 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2ccccc2)cc1 170051888 GSSCIBVCASVZTF-HSZRJFAPSA-N 431.919 5.994 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(Cl)ccc2C)[C@@H]1c1ccccc1 170052370 RFBRCAJPMICTTA-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE CCOc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccco2)c1 170097764 GERZDVGUDZJENA-HSZRJFAPSA-N 431.488 5.074 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(O)cc1)c1cc2cc(Cl)ccc2o1 170138547 UUSCBACOKXNUPS-NRFANRHFSA-N 437.879 5.313 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC(C)C)c3)[C@H]2c2cccnc2)c1 170185493 VRLAAJTYIAZDOS-XMMPIXPASA-N 442.515 5.208 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1ccncc1 170201639 LQLKCKXFRYICBV-QHCPKHFHSA-N 442.515 5.176 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C2CCCC2)cc1 170214732 BLTKMUWPPQEDEY-OAQYLSRUSA-N 425.912 5.260 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1c[nH]c2ccccc12 170255362 GWELGCHPGXWMDM-HSZRJFAPSA-N 432.520 5.334 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1cccc(O)c1)c1cccc2ccccc12 170258853 JFUWAHHUZYPYBL-DEOSSOPVSA-N 437.451 5.034 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@H]1c1ccc(CC)cc1 170267834 YHDLOJVTCYFCNE-HSZRJFAPSA-N 435.564 5.543 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccccc2C)cc1Cl 170271790 MKABNXOJKQGTMH-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2ccco2)cc1C 170288065 AVHUKOFHPZGBSU-HSZRJFAPSA-N 447.487 5.168 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccco2)c(OCC)c1 170290065 VLZMRQWDQNPPKC-QHCPKHFHSA-N 447.487 5.168 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccc(F)cc2)o1 170311208 SMBHKFCXEPVESL-FQEVSTJZSA-N 425.843 5.159 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(OC)cc2)c1 170409560 XTMVTMLNBQLMHN-XMMPIXPASA-N 443.499 5.267 30 10 IKEE CCCOc1ccccc1N1C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]1c1ccc(N(C)C)cc1 170445542 ZCRAEOZDXGEEQQ-QFIPXVFZSA-N 436.552 5.057 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cccc(C(=O)OC(C)C)c2)c1 170460168 OMVAPWBYQRGHSH-OAQYLSRUSA-N 435.520 5.075 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(O[C@H](C)CC)cc2)cc1 253563436 FKQYBTOOMGJBKI-MONBJTKQSA-N 433.548 5.267 30 10 IKEE CCCCCCCCCCCCC/C=C\[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CO 256122959 CTHUQQFNFRTUSM-KIYSFSCCSA-N 439.681 6.977 30 10 IKEE CCCCCCCCCC[C@H](N)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 406409013 SEGBDUVQVLTTQD-FQEVSTJZSA-N 441.454 7.327 30 10 IKEE C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN(Cc4ccccc4)Cc4ccccc4)[C@H]3C[C@@H]12 504379747 HSBSDJNJPQPKOI-DMYSPCIHSA-N 429.604 6.003 30 10 IKEE biogenic COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccc(Cl)c2)c1 526490403 NRIKGBFANWWVMC-QHCPKHFHSA-N 446.890 5.286 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1cccc(Oc2ccccc2)c1)c1ccccc1 526706808 AIVQAZFNCBYAIU-SANMLTNESA-N 447.490 6.262 30 10 IKEE Oc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccccc2)cc1Cl 526799809 JXHISJPNKQBPSO-MYYYXRDXSA-N 434.952 5.402 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2ccc(Cl)cc2Br)cc1 698850009 GYWQDQNJKKIDNE-SFHVURJKSA-N 435.749 6.417 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H]([C@@](C)(C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 698878033 XJNIPRDRWGUWQU-MHECFPHRSA-N 435.609 5.486 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CC[C@H]2CCCC[C@H]2C1 723606049 AZTLDGYNXGASMJ-HYFFOGBASA-N 433.390 6.443 30 10 IKEE C=C1CCC(C[C@@H](O)C2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)CC1 724592058 HYARQSPBMQSQBD-HSZRJFAPSA-N 428.617 5.043 30 10 IKEE O=C1/C(=C/c2ccc(N3CCCCC3)o2)SC(=Nc2ccccc2)N1C1CCCCC1 1084027229 AVFRQZBQMXLKRN-IFCGMKHDSA-N 435.593 6.207 30 10 IKEE Cc1nn(C(C)C)c(C)c1C=NNc1nc(SCc2ccc(Cl)c(Cl)c2)n[nH]1 1084402039 CAELRQOEWRIZOF-UHFFFAOYSA-N 438.388 5.244 30 10 IKEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C1CCC(C)CC1 1760412006 UIDNJWAJZPUSPQ-UHFFFAOYSA-N 434.588 5.211 30 10 IKEE CN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=Nc1ccccn1 1772730544 MBNNLKHTWLDFKT-QNPCYTEQSA-N 435.936 5.548 30 10 IKEE CC(=C/c1ccccc1)/C=C1\SC(=NN=Cc2ccccc2C)N(Cc2ccco2)C1=O 1772757517 PYRWDHQGFOLKPZ-DORGKADQSA-N 441.556 6.041 30 10 IKEE CC[C@@H](C)c1ccccc1NC(=O)Oc1ccc(CNC(=O)c2cccc(C#N)c2)cc1 1858912720 BZWWBYGABOWTRB-GOSISDBHSA-N 427.504 5.613 30 10 IKEE CCOc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(=O)Nc3ccccc3C#N)oc2c1 1859770509 WEFWPMCICVNSBG-UHFFFAOYSA-N 444.874 5.636 30 10 IKEE Cc1ccc2nc(-c3ccc(NC(=O)C(=O)/C=C/c4ccc([N+](=O)[O-])cc4)cc3)sc2c1 1860722098 MURKOWJHGPWLPC-WLRTZDKTSA-N 443.484 5.401 30 10 IKEE CC(C)c1ccc(/C=C/C(=O)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 1860722270 WJMZPTTUDITLJW-VMPITWQZSA-N 429.360 6.069 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)c1cccc([N+](=O)[O-])c1C 1861008129 NMEBKFVUQZHDPU-OAQYLSRUSA-N 433.593 5.449 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)[C@H](C)Oc1ccc(Cl)cc1 1861669421 KWFZMUXCANGLOZ-CYFREDJKSA-N 439.040 5.649 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)CCCOc1ccccc1Cl 1861703359 MQTSVRMUGGSMQQ-OAQYLSRUSA-N 439.040 5.651 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1F 1862414301 WUABICBQDITPEM-OAQYLSRUSA-N 441.380 5.022 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCCOC(C)C)cc1 1862431755 NVJROSKOBHHDQK-QFIPXVFZSA-N 441.955 5.296 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccc(F)cc2)c1 1862490535 YAJFIMSQZYQPHE-XMMPIXPASA-N 429.491 5.529 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccc(Cl)cc2)c1 1862491427 SJXMOSAEWCSRJD-QHCPKHFHSA-N 449.909 5.874 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862497308 GVQQDFWXTDMLNK-VLIAUNLRSA-N 442.899 5.242 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(F)cc1 1862529703 JHXHQGSRCYCURJ-DEOSSOPVSA-N 437.555 6.327 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(Cl)c(Cl)c1 1862655641 MIHJZWXMJTURTC-OAQYLSRUSA-N 440.326 6.133 30 10 IKEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccc(C)c1 1862661919 XXKXOFNWNOKLSG-VWLOTQADSA-N 448.607 5.429 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@H]1c1ccccc1Cl)c1ccc(F)cc1 1862675688 RIRGSOBSEIRMAT-FQEVSTJZSA-N 441.911 5.362 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc2cc[nH]c2c1)c1ccc(F)cc1 1862679358 YWRSZWPQRZFPNL-HSZRJFAPSA-N 426.447 5.086 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2ccc(C)cc2)c1 1862699361 TVLHGSOQYDOFGO-XMMPIXPASA-N 427.500 5.091 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc(Cl)cc2Cl)c1 1862705561 AQDLTHGSMVOJEL-LJQANCHMSA-N 434.319 5.236 30 10 IKEE CCc1ccc(NC2=C(c3ccccc3Cl)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1863076452 OGJJBXMDULLEMF-UHFFFAOYSA-N 427.891 5.171 30 10 IKEE CCCCOc1ccccc1N1C(=O)C(Nc2ccccc2C#N)=C(c2cccs2)C1=O 1863116907 NCLWLTDONXSBKN-UHFFFAOYSA-N 443.528 5.195 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(OCC)cc2)C1=O 1863211245 ILDLRRYVEOJNQV-UHFFFAOYSA-N 445.563 5.509 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(OC)cc2)=C(c2ccccc2OC)C1=O 1863424800 ZXPWOTYGFOGTPX-UHFFFAOYSA-N 436.552 5.256 30 10 IKEE CC[C@H]1CCCN1c1cc(Nc2cccc(C#N)c2)nc(-c2ccc(C(C)(C)C)cc2)n1 1868538630 RZWQUNITAFWCKH-QHCPKHFHSA-N 425.580 6.435 30 10 IKEE CCCCCCCCCCn1cc(OCCCC)c(=O)cc1CN1C[C@H](C)O[C@H](C)C1 1870663917 STZCXTFGXBCEFH-ZRZAMGCNSA-N 434.665 5.777 30 10 IKEE CCCCCCCOc1cn(CCCN(C)C)c(CNc2ccc(OC)cc2C)cc1=O 1870837787 YEZKRYHSYINYOQ-UHFFFAOYSA-N 443.632 5.078 30 10 IKEE Cc1cccc(CN2COc3cc(C)c4c(c3C2)O/C(=C\c2ccc(N(C)C)cc2)C4=O)c1 1871348196 XEVKQMNGNWNMGV-QFEZKATASA-N 440.543 5.338 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O3)CN([C@@H]1CCCC[C@@H]1C)CO2 1871350963 CQWFIEPKGYXDES-GUKJUKFXSA-N 445.603 6.639 30 10 IKEE CCOc1ccc(OCC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 1871366691 MQGAPWTUSFCXSN-QRVIBDJDSA-N 448.446 5.133 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)CCCOc4ccccc4)cc(C)c3C2=O)cc1 1871371516 ULSVSKUYRMJUFM-JLPGSUDCSA-N 428.484 5.684 30 10 IKEE CC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2Cl)C3=O)c1 1871390161 JCIOFOJPUGSTRV-XKZIYDEJSA-N 448.858 5.409 30 10 IKEE Cc1cc(O)c(CN(Cc2ccccc2)C(C)C)c2c1C(=O)/C(=C/c1ccc(F)cc1)O2 1871393902 QKFVFERUWWKQIP-OYKKKHCWSA-N 431.507 5.867 30 10 IKEE Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2cccs2)C3=O)c(C)c1 1871403331 VIVBWKAMJGGJTF-RIWZNOJBSA-N 433.529 5.696 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(O[C@H](C)C(=O)Nc4ccc(Cl)cc4)c3C)C2=O)cc1 1871413825 CBPBPVSFAKTPIF-NQRZERFFSA-N 447.918 5.979 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1cccc(F)c1)C2=O 1871431012 PFCLLPCLUWBDHF-PVFDWLMNSA-N 445.490 5.773 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccccc1F)C2=O 1871431862 ZPRBFAFFCAELRP-NLKUQUHMSA-N 445.490 5.773 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCCC(=O)Nc4ccccc4)ccc3C2=O)cc1 1871446425 CLHJMDFCTCVRIZ-JLPGSUDCSA-N 429.472 5.109 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(N(C)C)cc2)[nH]c(N2CCC[C@@H](C)C2)n1 1871694138 FJUUIUCEYCETLR-HXUWFJFHSA-N 439.652 5.112 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccc(C(C)C)cc3)n2)cc1 1872765692 VBEPGSIQAQESQP-YADARESESA-N 446.616 6.920 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@@H](C#N)C(=O)Cc3cc(Cl)ccc3Cl)n2)c1C 1872778672 QFJMVAYOYRZEKN-SFHVURJKSA-N 443.399 6.770 30 10 IKEE COc1c(Cl)cc(-c2csc([C@H](C#N)C(=O)COc3ccccc3)n2)cc1Cl 1872785199 IBCKOESJAOMRFJ-CQSZACIVSA-N 433.316 5.381 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccccc3Cl)n2)cc1Cl 1872786166 ZUQZNWWQCGGVOM-PMGBHYCQSA-N 429.328 6.015 30 10 IKEE C=CCc1ccccc1OCc1cccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 1872833860 DVFIRLWAJFEFSU-UHFFFAOYSA-N 435.523 7.039 30 10 IKEE C=CCN1C(=O)C(Nc2cc(Cl)ccc2C)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873276414 GETGIDNBAWSBCH-UHFFFAOYSA-N 428.919 5.693 30 10 IKEE C=CCn1c(C(=O)N(CCCC)CCCC)cc2c(N3C[C@@H](C)C[C@H](C)C3)ncnc21 1873561056 SIZDNEYHBYHORH-PMACEKPBSA-N 425.621 5.142 30 10 IKEE CC(C)(C)C1CCC2(CC1)CC(=O)c1ccc(OCC(=O)Nc3cccc(C#N)c3)cc1O2 1873866708 KWRLMGSPHVUGMB-UHFFFAOYSA-N 446.547 5.516 30 10 IKEE C=C(C)CSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1cc(C)ccc1O 1874245916 CWMXXDLHFZDUOI-MFKUBSTISA-N 436.581 5.163 30 10 IKEE COc1cc(/C=N/n2c(CCc3ccc(Cl)cc3)nnc2SC)ccc1OC(C)C 1874281449 JRGWVBQIJSFSBP-ZVHZXABRSA-N 444.988 5.117 30 10 IKEE Oc1ccc(/C=N/n2c(COCc3ccccc3)nnc2SCc2cccc(F)c2)cc1 1874354188 WCOUPKHDZDQYRH-VULFUBBASA-N 448.523 5.014 30 10 IKEE C=C(C)CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874395837 WTPLMKIHIZWHIZ-ZWGXDWAISA-N 442.972 5.348 30 10 IKEE Clc1cccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2cccs2)c1 1874408672 JLFAEFNKULWAQA-OEAKJJBVSA-N 431.030 6.290 30 10 IKEE CCCOc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCCC)cc1OCC 1874413831 NCPZKIGPBYNAFD-XQNSMLJCSA-N 444.626 5.502 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3ccccc3F)nnc2C(F)(F)F)cc1 1874461642 YFVYNGZBFKJJHX-BRJLIKDPSA-N 438.450 5.399 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccccc1OC(C)C 1874476262 IAXKWXPTIUFVHK-MFKUBSTISA-N 426.561 5.722 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccccc1Cl 1874479139 KPFQUKDBNKXTNM-WGOQTCKBSA-N 434.996 6.602 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CCCC)nnc1SCc1cccc(Cl)c1 1874479548 GLGXHLHLAFIOKV-PCLIKHOPSA-N 441.000 6.013 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc3ccccc23)n1/N=C/c1cccc([N+](=O)[O-])c1 1874485028 AHWZMUTXEMKNFK-MFKUBSTISA-N 445.548 5.812 30 10 IKEE CCCOc1c(/C=N/n2c(CCC)nnc2SCc2cccc(C)c2)cccc1OC 1874503629 RUPDRKYJZVZESJ-PCLIKHOPSA-N 438.597 5.511 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2ccccc2Cl)c1 1874509363 ZCFICZFYHPYOFS-WYMPLXKRSA-N 441.988 5.285 30 10 IKEE O=C(O)c1ccccc1/C=N/n1c(SCc2ccc(Cl)c(Cl)c2)nnc1C1CC1 1874522793 LLEDEPRBRFGICV-AUEPDCJTSA-N 447.347 5.335 30 10 IKEE Fc1cccc(Cl)c1CSc1nncn1/N=C/c1ccc(Br)cc1 1874541006 HNGKSFOAOHLCLL-ODCIPOBUSA-N 425.714 5.008 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/n2c(S)nnc2[C@H]2CCCO2)cc1OC 1874560444 XKGPUTOWMNGLRJ-HQXXTQMQSA-N 446.617 5.439 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccccc2F)cc1 1874573406 MMPFDGBPTBNWKY-ISLYRVAYSA-N 431.507 6.082 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2ccccc2Cl)cc1F 1874582188 AYXONVLTDSOONR-ZRDIBKRKSA-N 426.871 5.971 30 10 IKEE O=C(/C=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12)c1ccc2c(c1)OCO2 1874582765 GMEZNINHYUEJMV-VAWYXSNFSA-N 426.443 6.183 30 10 IKEE Cc1cccc(COc2ccc3ccccc3c2/C=C/C(=O)c2cccc3ccccc23)c1 1874583636 XXQYOLMJRJEQQQ-ISLYRVAYSA-N 428.531 7.777 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cc(Br)ccc2OCCO)cc1C(C)C 1874585671 ZPYQPJCKSLXPRL-FNORWQNLSA-N 433.342 5.157 30 10 IKEE CCCOc1ccc(Br)cc1/C=C/C(=O)c1cc(Cl)c(OC)c(Cl)c1 1874590311 DXCNAYRJUQWHGS-GQCTYLIASA-N 444.152 6.449 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1OCc1ccccc1F 1874596566 RDDHLHIKLCZNTJ-UXBLZVDNSA-N 431.290 6.616 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1Cl)Nc1nccs1 1874602510 QGKHKRKLPFKVKV-WEVVVXLNSA-N 448.931 5.863 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)cc1 1874613909 TVJOKVJYGQNWDN-CXUHLZMHSA-N 429.516 5.616 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OCC(=O)N[C@H](C)c1ccccc1 1874614811 ZYMAAPPFTZJFRP-ODHXBGJQSA-N 449.934 5.501 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1Cl)Nc1ccccc1 1874623559 IYETVSWMHVYOEZ-FYWRMAATSA-N 441.914 6.407 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OCC(=O)NC2CCCCC2)cc1 1874634895 ZGKMPNPJTYOUCB-JLHYYAGUSA-N 441.955 5.381 30 10 IKEE C[C@@H](Oc1ccc(Cl)cc1)C(=O)Oc1cccc(/C=C/C(=O)c2cccc(Cl)c2)c1 1874699520 ZBJIKHMXPOAERC-WDBUWWRISA-N 441.310 6.262 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCc3ccccc3OC)c2)cc1F 1874707299 YUYCKFUFZGRJSE-JLHYYAGUSA-N 434.463 5.277 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)CCOc3ccccc3)c2)cc1C 1874717912 OSFBZNLZYJQQGP-OUKQBFOZSA-N 430.500 5.583 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3ccccc3[N+](=O)[O-])c2)cc1C 1874718323 URZWQKKWXABIFR-VAWYXSNFSA-N 431.444 5.336 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC(C)(C)C)c(Br)c2)cc1C 1875108304 IPNAJGPLCWCZKT-RMKNXTFCSA-N 445.353 6.004 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(N(C)C)cc3)c(Cl)c2)cc1C 1875108443 PNHLGJIKJWKRSM-LFYBBSHMSA-N 449.934 5.838 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc(Cl)c1OC(=O)[C@@H]1CCCO1 1875108480 QSHIZVKEARBDPU-OEAKIKGJSA-N 444.911 5.036 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2OC)cc1 1875118044 NOYIYWKGWFZWPK-MKMNVTDBSA-N 431.444 5.281 30 10 IKEE O=C(CSc1ccccc1)Oc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1Cl 1875121212 FFQLSISWSKJHEL-PKNBQFBNSA-N 443.351 6.587 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2OCC)CC1 1875137014 RLXONDRBTQDCRP-LDADJPATSA-N 448.603 7.192 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)[C@@H]1CCCO1 1875140653 QGOGDXLECIDAJP-GLCJEOIMSA-N 428.912 5.336 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1Cl 1875158411 VENIOSPEFZNALA-XNWCZRBMSA-N 445.273 6.256 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)CC(C)C)c([N+](=O)[O-])c2)cc1C(C)C 1875162432 DCKMWKDKTSATGU-VQHVLOKHSA-N 439.508 5.883 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)CCCSC 1875163675 XJDQXHRPNRVJOW-DHZHZOJOSA-N 446.515 5.647 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OC(=O)c1cnccn1 1875164969 KESQVQRLMTWWPY-SOFGYWHQSA-N 446.503 5.041 30 10 IKEE CC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1Br 1875165699 UZDUBCCJQAQPIW-NTUHNPAUSA-N 437.289 6.063 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3C)c([N+](=O)[O-])c2)c(C)c1C 1875167266 WVJXPMAQSNVYJV-FMIVXFBMSA-N 445.471 5.644 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 1875179196 CMLNVEFUKQBXSI-LFYBBSHMSA-N 441.310 6.426 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1ccc(F)c(F)c1 1875184764 OYGFDCKJIFPUMY-WEVVVXLNSA-N 436.454 6.014 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3C)c([N+](=O)[O-])c2)cc1C 1875188014 LRRIGYCHFRQYLM-PKNBQFBNSA-N 445.471 5.644 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N1CCOCC1)n2CCCC 1875212464 XNBOMLCKMPGJQC-UHFFFAOYSA-N 443.636 5.256 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cc(F)cc(C(F)(F)F)c3)cc21 1890534147 OYPFWZOEXAUPGB-UHFFFAOYSA-N 436.405 5.034 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C 1926613680 BZVOGIGIQOUPFN-ZEQRLZLVSA-N 430.633 5.601 30 10 IKEE CC[C@@H](NC(=O)OC(C)(C)C)[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1936065360 BIJXRDLDKICBTH-VGSWGCGISA-N 437.968 5.667 30 10 IKEE C=C1CCC(C[C@H](NCCC)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)CC1 1946545570 BRGJZWPIOQAVHG-ZEQRLZLVSA-N 430.633 5.601 30 10 IKEE CC[C@H](C(=O)O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(C#N)c1 1979576184 ZXQJGRKZYGGZQK-UQBPGWFLSA-N 440.499 5.249 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)C1 1993190199 KZZFZVQSRIRTLI-SJLPKXTDSA-N 435.590 5.024 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@]1(C#N)C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21 2016127681 IRLAGTGWLGGESW-JBAWTIAASA-N 438.593 5.763 30 10 IKEE C=C(Cl)C[C@@H](NCCC)c1ccc(Br)cc1I 2026219321 WCHKFASPFRVQNN-CYBMUJFWSA-N 428.539 5.237 30 10 IKEE CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2033649343 JXZRUSUEUWJSQY-PXNSSMCTSA-N 449.567 5.646 30 10 IKEE Cc1c(Cl)cc(C[C@]2(C#N)CCCCN2C(=O)OC(C)(C)C)cc1Br 2048641081 UNOIUDUPKBTJMY-IBGZPJMESA-N 427.770 5.637 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CCN(C(=O)OC(C)(C)C)C12CCCC2 2058056450 GKQGNPSBJWFMMD-RPWUZVMVSA-N 442.644 5.697 30 10 IKEE CC(C)(C)OC(=O)NC[C@](C#N)(c1ccccc1)N(C(=O)OC(C)(C)C)C1CCCCC1 2076789760 CSKFNBYEPIDINW-RUZDIDTESA-N 443.588 5.500 30 10 IKEE CC(C)(C)c1nn(Cc2ccc(C(F)(F)F)c(F)c2)c(Br)c1C(F)(F)F 2079836159 WPRQWQPJDDBICH-UHFFFAOYSA-N 447.192 6.168 30 10 IKEE CC(C)[C@@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C2CC2)c(C#N)c1Br 2079986538 PLFFLVCPULTCEY-INIZCTEOSA-N 430.243 5.798 30 10 IKEE C[C@@H](c1ccc(C2CCC2)cc1)n1nc(C(F)F)c(C#N)c1I 2080002506 YNOFYHSCBMTCED-JTQLQIEISA-N 427.236 5.174 30 10 IKEE Fc1ccc(C(F)(F)F)c(-c2c(C(F)(F)F)nn(C3CCSCC3)c2Cl)c1 2080820890 CDKCIJOJWKGJEQ-UHFFFAOYSA-N 432.792 6.448 30 10 IKEE C=CCCCCCCCCC[C@H](O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2086283337 UUEXDGXYSBRFTO-DQEYMECFSA-N 447.660 6.544 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Br)c1Cl)NCCC 2110500489 KAKMFYCYILZOPZ-IRXDYDNUSA-N 445.829 5.483 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(F)c(Nc2cc(Br)cnc2C#N)c1F 2111318539 WZDCTPLBSNBKBP-UHFFFAOYSA-N 425.233 5.085 30 10 IKEE CCN(CC)CCN[C@@H](C#N)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134725567 LCPDAYSAWBNJGS-SANMLTNESA-N 443.591 5.341 30 10 IKEE CN[C@@H](CC#CC1CCCCC1)c1cc(Br)ccc1I 2149864699 MYEWRRPQNHBGIO-KRWDZBQOSA-N 446.170 5.288 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(C#N)cc2Br)C[C@H]1C1CCC1 2194111405 JWXLDZWCJZKYEL-LPHOPBHVSA-N 434.378 5.301 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)cc1C 2229233728 QLSXBKIHAZWLBX-MOPGFXCFSA-N 425.411 5.658 30 10 IKEE C=C(C)CCCC[C@H](O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2250187933 KDXVPHMFMPFMSQ-QHCPKHFHSA-N 430.633 5.433 30 10 IKEE Cc1c(Br)sc([C@@H](C#N)N(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)c1C 2254664409 HNAXEKNSKPBCKT-UONOGXRCSA-N 429.380 5.108 30 10 IKEE CC1(C)OB(c2cc(Cl)cc(C(=O)N(Cc3ccccc3)c3ccccc3)c2)OC1(C)C 2267014910 GSPZNYOTLIMGAM-UHFFFAOYSA-N 447.771 5.486 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](Nc2ccc(C#N)cc2Br)C[C@@H]2CCCC[C@H]21 2279521391 KPBZNMUVGDBEIP-FRQCXROJSA-N 434.378 5.301 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Br)cc(C(C)C)c1 2280707826 CZRUNAKYISRYCH-UXHICEINSA-N 439.438 6.083 30 10 IKEE CC1(C)OB(c2cscc2C(=O)Nc2c(Cl)cc(Cl)cc2Cl)OC1(C)C 2281798260 GKJGMSMRTJIOOQ-UHFFFAOYSA-N 432.565 5.260 30 10 IKEE CCc1ccc(N=C2NC(=O)C(=Cc3ccccc3OCc3ccc(Cl)cc3)S2)cc1 2294009827 JMTDRUQQMPIFQC-UHFFFAOYSA-N 448.975 6.373 30 10 IKEE Cc1ccc([C@H]2C(=C(O)c3ccco3)C(=O)C(=O)N2c2nc3c(C)cc(C)cc3s2)cc1 2296082566 LKMVSRQHPNWMJA-NRFANRHFSA-N 444.512 5.441 30 10 IKEE CCN[C@@H](C#Cc1cccc(Br)c1)c1sccc1CNC(=O)OC(C)(C)C 2296284181 OBLHXJZKFOQNPT-SFHVURJKSA-N 449.414 5.238 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@@H](CCC)CNC(=O)OC(C)(C)C 2296284862 VJVRVHOAGSTLJX-ICSRJNTNSA-N 437.422 5.110 30 10 IKEE O=C(C(=Cc1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)C(F)(F)F)c1ccccc1 2296727589 QDMZUWVXMJWTDD-UHFFFAOYSA-N 439.216 6.651 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(COc3ccc(Br)cc3Cl)o2)c1 2297110639 AQCGNKYJOJMXEB-UHFFFAOYSA-N 447.712 6.179 30 10 IKEE C=CCOc1ccc(C=C2SC(=Nc3ccc(OCC)cc3)N(CC)C2=O)cc1Cl 2297461918 MCCPLJFOMYLEGK-UHFFFAOYSA-N 442.968 5.927 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C(=O)C=Cc3ccc(Cl)cc3Cl)cc2)cc1 2314430262 ZXACYFFYAGEZMW-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE Cc1ccc(O)c(N=C2NC(=O)C(=Cc3ccc(-c4c(Cl)cccc4Cl)o3)S2)c1 2314556974 GAURHAKMLQZLSW-UHFFFAOYSA-N 445.327 6.159 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2318881385 XJQXFYAEGNSQDK-ZCNNSNEGSA-N 447.551 5.543 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(Cl)cc2C=CC(=O)c2cccc(Cl)c2)o1 2322527783 MDORJCIBTAJFQT-UHFFFAOYSA-N 445.298 6.238 30 10 IKEE CCN(CC)C(=O)COc1ccc(Br)cc1C=CC(=O)c1ccc(C)cc1C 2322570051 HKXDHGRGZYEAEG-UHFFFAOYSA-N 444.369 5.209 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)c4cc5ccccc5o4)ccc3C2=O)cc1OC 2322839837 URKOZUXHHBXMFK-UHFFFAOYSA-N 442.423 5.285 30 10 IKEE CCN(CC)C(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccc(OC)cc1OC 2322904453 ZLJXKCZQIPJCJM-UHFFFAOYSA-N 447.531 5.000 30 10 IKEE CC(=O)Nc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(Cl)cc2)C3=O)c1 2322969260 JYHBCQRVULPMJB-UHFFFAOYSA-N 447.874 5.442 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccc(C)cc2)cc1C 2322981300 LXDUSTCAKDFQHS-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2cccc(C=CC(=O)c3ccc4ccccc4c3)c2)c1 2323047559 WRCKYVGYGLYIPR-UHFFFAOYSA-N 435.523 6.370 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1OCC(=O)Nc1cc(C)ccc1C 2323218227 OSXHVZMTWQRUQE-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCc3cccc4ccccc34)c(Cl)c2)cc1 2323464777 GWRPPXYFMLTBEK-UHFFFAOYSA-N 426.943 7.531 30 10 IKEE CCOc1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1 2323511663 BVIJLAGYXYPTKZ-UHFFFAOYSA-N 444.458 5.768 30 10 IKEE Cc1cc(OC(=O)c2cc(Cl)ccc2Cl)cc2c1C(=O)C(=Cc1cccs1)O2 2323581530 QSAXJFKXWOERSH-UHFFFAOYSA-N 431.296 6.199 30 10 IKEE Cc1c(OC(=O)CCc2ccccc2)ccc2c1OC(=Cc1cn(C)c3ccccc13)C2=O 2323721071 KAMDZYLOBCKSEJ-UHFFFAOYSA-N 437.495 5.641 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Cl)c1OCc1ccccc1C 2323978941 NUJKRCFVTDEDRX-UHFFFAOYSA-N 438.926 6.970 30 10 IKEE N#C[C@@H](C(=O)C=Cc1ccc(Cl)cc1)c1nc(-c2ccc(Br)cc2)cs1 2324416482 AMCLAQMRIMORIF-KRWDZBQOSA-N 443.753 6.116 30 10 IKEE C=C(C)COc1c(OCC)cc(C=CC(=O)c2ccc(OC)c3ccccc23)cc1[N+](=O)[O-] 2324685798 SXEZWMVFEGAYBN-UHFFFAOYSA-N 447.487 6.006 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc([N+](=O)[O-])cc3)n2)c(C)c1C 2324706662 QCGKJWMOXHKWEF-IBGZPJMESA-N 433.489 5.233 30 10 IKEE N#Cc1cccc(C(=O)Oc2ccc(C3CCN(C(=O)C=Cc4ccccc4)CC3)cc2)c1 2324817198 YAKBCKRICPRNHX-UHFFFAOYSA-N 436.511 5.197 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1cc(C)c2c(c1)OC(=Cc1ccccc1C)C2=O 2325098488 IYXLLMUTOKDUNL-JOCHJYFZSA-N 436.548 6.201 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(N(C)C)cc1 2325563065 OMICDKPMABWWLU-UHFFFAOYSA-N 448.423 5.778 30 10 IKEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(C(C)(C)C)cc1 2325631420 LWZZDTVVVNUMFU-UHFFFAOYSA-N 433.408 6.365 30 10 IKEE CCCCOc1ccc(C=Nn2cnnc2SCc2ccc(F)cc2)cc1OCC 2325649076 YDJCJYQWKKGMPG-UHFFFAOYSA-N 428.533 5.169 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4cc(Cl)ccc4C)cc(C)c3C2=O)o1 2325724122 HEEBCFNKJJVVBU-UHFFFAOYSA-N 437.879 5.492 30 10 IKEE Cc1cccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)c1 2325727178 XAMKHOZNDIBQML-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OC(=O)CCCOc2ccccc2)c1 2325743452 XZKFPKGXKWRPCX-UHFFFAOYSA-N 430.500 5.664 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)[C@H](C)c3ccccc3)c2)cc1F 2325748177 CEGBPYIRPCEENO-QGZVFWFLSA-N 434.463 5.448 30 10 IKEE COc1ccc(CCC(=O)Oc2cccc(C=CC(=O)c3cccc4ccccc34)c2)cc1 2325750088 ZNZMKJPTXIKGFB-UHFFFAOYSA-N 436.507 6.283 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2ccc(F)cc2)cc1OC(=O)CC(C)(C)C 2325751162 BIPXVDIQJXYSPU-UHFFFAOYSA-N 449.316 5.835 30 10 IKEE CCc1ccc(C=Nn2c(CCCOc3ccc(C(C)(C)C)cc3)nnc2SC)cc1 2325829106 IJBMFDWUJMCSOW-UHFFFAOYSA-N 436.625 5.754 30 10 IKEE CCSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1c(F)cccc1Cl 2326323659 UJSSYWGHZIHBJO-UHFFFAOYSA-N 446.979 5.639 30 10 IKEE CCCc1ccc(OCc2nnc(SCCc3ccccc3)n2N=Cc2ccc[nH]2)cc1 2327372821 GOGIZLJWJZRTFI-UHFFFAOYSA-N 445.592 5.355 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1ccc(O)c(OC)c1 2328179592 IELHHGJVJRXNTI-UHFFFAOYSA-N 428.602 5.617 30 10 IKEE C=CCSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1ccc(Cl)cc1Cl 2328568698 KQCWUGUEUROCJX-UHFFFAOYSA-N 447.391 5.735 30 10 IKEE CCCOc1ccccc1C=Nn1c(CCCOc2ccccc2)nnc1SCCC 2328754414 IBHLXKRTKUPBGX-UHFFFAOYSA-N 438.597 5.463 30 10 IKEE Cc1cccc(OCc2nnc(SCc3ccccc3)n2N=Cc2ccc(O)cc2)c1C 2328847689 FPCQUVQPAFUAMH-UHFFFAOYSA-N 444.560 5.354 30 10 IKEE COc1ccc(Cc2nnc(SCc3cccc(C)c3)n2N=Cc2cccs2)cc1 2329252625 YTUMWCXKMUDJJR-UHFFFAOYSA-N 434.590 5.422 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OC)cc2)n1N=Cc1ccc(Cl)cc1Cl 2329277875 GVFCVBHFKDZDDC-UHFFFAOYSA-N 447.391 5.735 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1ccc(O)c(OCC)c1 2329423891 UPJHBTXOFDXHSM-UHFFFAOYSA-N 436.581 5.140 30 10 IKEE CCOc1cccc(C=Nn2c(SCCc3ccccc3)nnc2-c2cccs2)c1 2330584364 YTSHHKQQKHMFPD-UHFFFAOYSA-N 434.590 5.622 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2ccc(C)cc2)nnc1-c1ccccc1 2330624959 GDBKRLPAPVCICF-UHFFFAOYSA-N 442.588 6.217 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CSc3ccccc3)cc2)cc1OC 2330710858 YATLMBDNEYXORL-UHFFFAOYSA-N 434.513 5.298 30 10 IKEE O=[N+]([O-])c1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CCCC2)cc1 2331092892 RCLMYXKNCHYLIM-UHFFFAOYSA-N 441.944 5.672 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)Cc1ccccc1 2331134627 DRNAYOUBHIOWGR-UHFFFAOYSA-N 446.930 6.121 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)[C@@H]3CCCO3)c(OCC)c2)cc1 2331201763 VNANCKZTCKTYGT-NRFANRHFSA-N 444.911 5.118 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(C)cc2C)cc1OCC 2331226562 OHGNGRGZUMLIGP-UHFFFAOYSA-N 442.983 7.127 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1 2331273842 TZGSMYZZYVHKLH-UHFFFAOYSA-N 435.863 5.601 30 10 IKEE CCCCc1nnc(SCCc2ccccc2)n1N=Cc1ccc(OCC)c(OC)c1 2331339517 NUHXNTARVPERHD-UHFFFAOYSA-N 438.597 5.245 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)cc(Cl)c1OC(=O)c1ccco1 2331362793 QYCWTYLSRMYGJZ-UHFFFAOYSA-N 440.879 5.764 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(C)(C)C)n2N=Cc2c(F)cccc2Cl)c1 2331397981 PXGGUUZOBCIBRS-UHFFFAOYSA-N 430.980 6.159 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccc(C)cc1 2331429802 GNRCBHCVRNXFEF-UHFFFAOYSA-N 428.528 6.416 30 10 IKEE C=C(C)CSc1nnc(C2CCC2)n1N=Cc1ccc(N(CC)Cc2ccccc2)cc1 2331517712 SZWFZAFEOILLDB-UHFFFAOYSA-N 445.636 6.123 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc(OC)c1OC(=O)C1CC1 2331580579 FRFHAAFERRTKDY-UHFFFAOYSA-N 448.559 6.076 30 10 IKEE Cc1cnc(C(=O)Oc2ccc(C=CC(=O)c3ccc(Oc4ccccc4)cc3)cc2)cn1 2331592306 SKZHYQUVWCKZNR-UHFFFAOYSA-N 436.467 5.693 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(OC)c(Cl)cc2OC)cc(OC)c1OC(=O)CC 2331693714 SBSFRZSZXVNTTO-UHFFFAOYSA-N 444.911 5.306 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C)c(Cl)cc3OC)cc2)c1 2331741309 LHCQYRAWGSPLPZ-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccncc2)c(Cl)c1 2331743456 ABWMVNNZEPBUEN-UHFFFAOYSA-N 442.298 5.821 30 10 IKEE C[C@H](CCCCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339589287 VNDGQQZKNVHDAA-GOSISDBHSA-N 446.397 5.189 30 10 IKEE Cc1cc(Br)ccc1SCc1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1 2369731935 AKVXHTAQJLJVBW-UHFFFAOYSA-N 433.220 5.657 30 10 IKEE CCc1ccc(CSCc2ccc(B3OC(C)(C)C(C)(C)O3)c(Br)c2)o1 2377317546 PPQSLZQODSLLGY-UHFFFAOYSA-N 437.208 5.337 30 10 IKEE CCc1cc(Br)ccc1OCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 1984344 VBDPBFHYFUXSNU-GFCCVEGCSA-N 433.371 5.087 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C/c1cccc(Br)c1)C2=O)c1ccccc1F 2440735 VQSLIPXJXCNSAX-RGVLZGJSSA-N 439.236 5.424 30 10 IKEE Clc1ccc(/C=N/c2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)cc1Cl 3113865 HPIDOUZENCQXQL-KIBLKLHPSA-N 436.125 7.859 30 10 IKEE CCN(CC)c1ccc(/C=N/c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)cc1 12482196 ZQNJGXSFQLXXCQ-NLRVBDNBSA-N 435.593 5.701 30 10 IKEE Cc1ccc(OC(F)F)c(C(=O)CSc2cc(C)c(C#N)c3nc4ccccc4n23)c1 13102655 XYKHACKERRIMIG-UHFFFAOYSA-N 437.471 5.552 30 10 IKEE COc1ccc(/N=C/c2cc(Cc3ccccc3Cl)cc([N+](=O)[O-])c2O)cc1OC 15961100 UWMJYKFGPNGLHE-ZMOGYAJESA-N 426.856 5.312 30 10 IKEE O=[N+]([O-])c1ccc(-c2csc(N/N=C\c3ccccc3OCc3ccccc3)n2)cc1 32673725 PVDFMRLSYUZACO-OYKKKHCWSA-N 430.489 5.743 30 10 IKEE COc1ccc(C(=O)/N=C(/NCCc2c[nH]c3ccccc23)Nc2ccc(C)cc2C)cc1 32943134 NYCJZCHVSASPPC-UHFFFAOYSA-N 440.547 5.234 30 10 IKEE CCn1nc(C)c(CCN/C(=N\C(=O)c2cc(C)cc(C)c2)Nc2cc(C)cc(C)c2)c1C 32973373 RLRNVLYTRLKFLH-UHFFFAOYSA-N 445.611 5.194 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2Cl)S/C(=N/c2ccccn2)N1C1CCCCC1 39863056 DQLHOGKIFYNBKR-FOXVTAEVSA-N 432.376 6.325 30 10 IKEE C/C(=N/Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccc(Cl)c(Cl)c1 39959598 WUSLPFZLFSUQPD-AQHIEDMUSA-N 431.175 7.260 30 10 IKEE CCN1C(=O)C[C@@H](C(=O)Nc2ccc(C)cc2C)S/C1=N/c1cccc(C(F)(F)F)c1 58946391 MNFKKEKEUVRFTC-BLWNTKICSA-N 449.498 5.302 30 10 IKEE O=C(Nc1cccc(F)c1)[C@H]1CC(=O)N(CCc2ccccc2)/C(=N/c2ccccc2)S1 59108966 AAUOTXVLTPDWGG-AOKXBXCXSA-N 447.535 5.029 30 10 IKEE Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NS(=O)(=O)c1ccc(F)cc1 59239746 DXLMXZMLFUEKOE-LJQANCHMSA-N 449.334 5.897 30 10 IKEE N#Cc1c(/N=C/C(Br)=C/c2ccccc2)oc(-c2ccco2)c1-c1ccco1 107190875 SIASYCLQGUBGGE-IJAYVWAESA-N 433.261 6.810 30 10 IKEE O=C1/C(=C\c2cccn2-c2ccccc2)S/C(=N\C2CCCCC2)N1C1CCCCC1 110357631 WICUPHOWZZISEL-GJHWIIEUSA-N 433.621 6.415 30 10 IKEE COc1cc(/C=C\C(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)ccc1OCC#N 115349143 YSUDUOILUHHWBS-VXUDWCIHSA-N 438.483 5.263 30 10 IKEE CCOc1c(Cl)cc(/C=N\Nc2nc(-c3ccc(OC)cc3OC)cs2)cc1OC 169940203 ZFIKEUZJQAFCLD-KSEXSDGBSA-N 447.944 5.334 30 10 IKEE Cc1sc(N/N=C\c2cccc(OCc3ccc(Cl)cc3)c2)nc1-c1cccs1 169941387 PPMDWCLJTSESTH-CFRMEGHHSA-N 439.993 6.858 30 10 IKEE CCCCCCCCN1C(=O)C(Sc2ccc(Cl)cc2)=C(c2cccs2)C1=O 170018396 IAWMJEAJYXUWDQ-UHFFFAOYSA-N 434.026 6.634 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccncc1 170021980 OEQKFMSCAJKUBJ-JOCHJYFZSA-N 443.890 5.308 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2C2CCCC2)cc1 170033899 MVPUBWRKAKIFDN-DEOSSOPVSA-N 445.515 5.743 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccccc2F)c(C)c1 170069862 CKJMSWHYYCNTDV-XMMPIXPASA-N 445.490 5.542 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccco2)c1 170089710 IOSNHNBMESJODQ-NRFANRHFSA-N 437.879 5.505 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1c1ccccc1 170122460 ZZPMTSPGPQGPMS-RUZDIDTESA-N 435.479 5.631 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2Cc2ccco2)c1 170144004 UQLFMZDVKZGGOG-DEOSSOPVSA-N 443.543 5.972 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2cccs2)cc1 170157683 FNFTYILDAPHYHY-IBGZPJMESA-N 425.893 5.193 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1cccs1)c1cccc2ccccc12 170163493 SHXPQMZXVASEQB-QFIPXVFZSA-N 426.497 5.075 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccs2)cc1 170166636 XNUBSIYQGVJTME-JOCHJYFZSA-N 439.577 5.838 30 10 IKEE COc1ccccc1C1=C(Nc2ccc(C(C)C)cc2)C(=O)N(c2ccc(C#N)cc2)C1=O 170166930 XKMFNXPEFFHGGR-UHFFFAOYSA-N 437.499 5.087 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1ccccn1 170171421 VGGJBFFTPYALDB-HSZRJFAPSA-N 442.515 5.176 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@@H]1c1ccccn1 170181032 SEKVEGXRIXPSAX-QHCPKHFHSA-N 436.552 5.291 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2cccnc2)cc1 170185999 KNLPVMGYZKXFLF-DEOSSOPVSA-N 442.515 5.214 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cccnc1)c1ccc(Cl)c(Cl)c1 170194223 HUKSIGHDCBWEOY-IBGZPJMESA-N 431.319 5.299 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccc2)cc1 170222787 SCNAPBLIAQKIOJ-XMMPIXPASA-N 445.490 5.643 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccccc1)c1ccc2ccccc2c1 170234376 XEROUQGTUCSXAJ-RUZDIDTESA-N 437.470 5.757 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1c1ccc(F)cc1 170271032 VWQOQPXVTHNFOD-QHCPKHFHSA-N 426.447 5.398 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccccc2C)ccc1F 170272807 CAPHIJIUSLRKTL-QHCPKHFHSA-N 426.447 5.097 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccco2)c1 170289286 ZCBGKJGIPYZERA-QHCPKHFHSA-N 431.488 5.468 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(C)cc4)[C@@H]3c3ccc(C)o3)oc12 170303956 SAFPDHWHCZRMGN-JOCHJYFZSA-N 443.455 5.434 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccc(C)o2)cc1 170304867 OJMMEIYKSIWPSW-HSZRJFAPSA-N 431.488 5.386 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@@H]1c1sccc1C 170319442 VJUHSSWNMPQIME-HXUWFJFHSA-N 425.550 5.150 30 10 IKEE CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@H]3c3cccs3)sc2c1 170477365 RCPMHMOMOKOZHB-LJQANCHMSA-N 442.562 5.272 30 10 IKEE CCCCCCCOc1cccc(NC(=S)NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)c1 206605196 QPBWPKQUYBCXMK-YPKPFQOOSA-N 441.553 5.470 30 10 IKEE CC(=O)ON=C1C=C2CC[C@@H]3[C@H]4C[C@H]5CCCC[C@@]5(C(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 254371981 LQJAXDXIQDWPOB-LRQKFEPISA-N 425.613 6.244 30 10 IKEE CC(=NOC(=O)CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1)c1ccccc1 254734361 CRPWWXZGLUDEJF-UHFFFAOYSA-N 449.429 5.361 30 10 IKEE C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1CCC2=NN=Cc1ccc(OC(F)F)cc1 254866018 VGYMEBWQLDCBIR-FCBCXNLDSA-N 438.518 6.325 30 10 IKEE Cc1cccc([C@H]2C(c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2c2cccc(C#N)c2)c1 526522626 RQLBQSRXCILCNX-QFIPXVFZSA-N 435.310 6.231 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(F)cc2)c1 526603390 DLSKDFHOIAARQX-DEOSSOPVSA-N 428.463 5.543 30 10 IKEE CCCOc1ccc(/C=N\n2c(CCC)nnc2SCc2cccc(F)c2)cc1Cl 526825165 MGXJSAMDTQFHFJ-QFEZKATASA-N 446.979 5.986 30 10 IKEE C=CCN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586131809 FTAVGFSMDVTDED-UHFFFAOYSA-N 425.164 5.677 30 10 IKEE CC(C)c1nc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)cs1 696465073 VHXBZHGCILAZLQ-MRXNPFEDSA-N 436.375 6.035 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@](C)(C#N)c1ccc(Br)cc1F 698427648 WGVALZBLLAQIFQ-NRFANRHFSA-N 433.321 6.077 30 10 IKEE COc1cc(B2OC(C)(C)C(C)(C)O2)c(OCc2ccccc2)cc1OCc1ccccc1 706527800 WHOARWRQEJIYJI-UHFFFAOYSA-N 446.352 5.152 30 10 IKEE COc1ccc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2ccc3c(c2)CCCC3)cc1 762444727 FBYZGVTWPLTCOS-UHFFFAOYSA-O 442.564 5.056 30 10 IKEE CC(=O)Nc1ccc(N=Cc2cccc(OC(=O)c3sc4ccccc4c3Cl)c2)cc1 1083934779 LWYANOKMLQUNNN-UHFFFAOYSA-N 448.931 6.483 30 10 IKEE COc1ccccc1C=Nc1nc(-c2ccc(Cl)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1 1084477853 NZGARXPZMFCRAY-UHFFFAOYSA-N 449.919 6.798 30 10 IKEE Cc1ccc(-c2csc3nc(-c4ccncc4)n(Cc4cccc(C#N)c4)c(=O)c23)cc1 1857804593 AXBHSZHHQQOSNT-UHFFFAOYSA-N 434.524 5.415 30 10 IKEE C=CCN(CC=C)C(=O)Oc1cccc2c(NC(=O)/C=C/c3ccc(Cl)cc3)cccc12 1858949733 ROABWGSWXNUAGT-DTQAZKPQSA-N 446.934 6.318 30 10 IKEE N#Cc1c(-c2ccccc2)ccnc1Nc1cccc2c1CN(CCc1ccccc1)C2=O 1859862928 IXXYMUNAQQFBFC-UHFFFAOYSA-N 430.511 5.562 30 10 IKEE N#Cc1cccc(C(=O)Nc2cc(NC(=O)c3ccc(Br)o3)ccc2Cl)c1 1860440301 GBMGUBOBQYHRAK-UHFFFAOYSA-N 444.672 5.072 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(OC)c1 1861347175 OYTVSYXWSFVYCR-VWLOTQADSA-N 438.612 5.293 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCC)NC(=O)COc1cc(Cl)ccc1Cl 1861651380 VSOIBCMRYRGGJU-SFHVURJKSA-N 431.404 5.134 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862395782 YKFQJHKZYREYIU-MHECFPHRSA-N 435.564 5.112 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(F)cc1F 1862403355 TWJDSKYRMIWMCL-QFIPXVFZSA-N 443.490 5.440 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccc(C(F)(F)F)cc2)cc1C 1862406714 WLOSLBGVHVZYHA-IBGZPJMESA-N 433.426 5.009 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@@H]1c1ccc(F)cc1)c1cccc(Cl)c1 1862442996 MBPFLXMZDPJNGM-HXUWFJFHSA-N 441.911 5.362 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2ccc(F)cc2F)cc1 1862477614 OBKUVJNEBYPKEW-HSZRJFAPSA-N 433.454 5.360 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)cc1 1862478634 MTASVASBSCUYRJ-KUWBRRTOSA-N 433.548 5.551 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2cccc(C)c2)c1 1862489058 NUDLHOFIDDEYJI-RUZDIDTESA-N 441.527 5.399 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccccc2F)c1 1862489838 IQCYYBFPBNZFKE-HOYKHHGWSA-N 429.491 5.782 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@H]2c2ccc(O)cc2)c1 1862489911 KAXGJHALDMYBFG-QHCPKHFHSA-N 447.918 5.441 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2[C@@H](C)CC)c1 1862618704 HNGIAKHQMSWBMV-GAJHUEQPSA-N 435.564 5.760 30 10 IKEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1cccc2ccccc12 1862620375 QRDDNOTXBLRHKG-XMMPIXPASA-N 443.543 5.362 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1ccc(OC)cc1 1862637825 NDLGXYDJANNXRO-QFIPXVFZSA-N 441.499 5.002 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(F)cc2F)cc1 1862660190 GOAMUEHHLZKTGU-JOCHJYFZSA-N 437.442 5.460 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862688636 XTBNQTBAJBIFEP-AVRWGWEMSA-N 441.527 5.597 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2cccc(Cl)c2)cc1 1862688861 CSBGSOLVBLULST-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1ccc(Cl)cc1Cl)c1ccc2ccccc2c1 1862720661 AYPUQBPDWIVPFO-OAQYLSRUSA-N 438.310 5.887 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)cc1 1862748951 MRIVHPHMXBCOFG-QRQCRPRQSA-N 446.434 5.073 30 10 IKEE Cc1ccc(C2=C(Nc3cccc4ccccc34)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862897194 AZFMUOCJDBZYOY-UHFFFAOYSA-N 429.479 5.417 30 10 IKEE Cc1ccccc1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2cc(Cl)ccc2Cl)C1=O 1863015985 PXYCMRRPRPNZLS-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE CCCC[C@H](NC(=O)C[C@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)Nc1ccccc1C#N 1866775118 KPGOOZCKNPXCBZ-UPVQGACJSA-N 449.595 5.319 30 10 IKEE CC(C)c1nc(Nc2ccc(C#N)cc2)cc(N2CCC[C@H]2Cc2ccc(Cl)cc2)n1 1868242121 HNTDHMTUFYFIDM-QFIPXVFZSA-N 431.971 6.080 30 10 IKEE COc1ccc2c(c1)CCN(c1cc(Nc3ccc(C#N)cc3)nc(C(C)(C)C)n1)[C@H]2C 1868355868 PWPKZAVWOISXKO-KRWDZBQOSA-N 427.552 5.522 30 10 IKEE CCCCCCCCCCn1cc(OCCc2ccccc2)c(=O)cc1CSCCO 1870192839 USDGDUACLIWMKY-UHFFFAOYSA-N 445.669 5.836 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(C(C)C)cc2)cn1Cc1ccccc1 1870470236 HLDKUCNSPMGIOZ-UHFFFAOYSA-N 442.603 5.773 30 10 IKEE CCCCCCCOc1cn(CC)c(CNc2ccc(Cl)c(C(F)(F)F)c2)cc1=O 1870835662 CJTFPQJRIWPLPY-UHFFFAOYSA-N 444.925 6.502 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1cccc(F)c1)O3)CN(Cc1cccc(Cl)c1)CO2 1871347942 GGGKWQPMCNICRA-JJFYIABZSA-N 435.882 5.756 30 10 IKEE Cc1c(OC(=O)c2ccccc2[N+](=O)[O-])ccc2c1O/C(=C\c1cccc(Cl)c1)C2=O 1871369456 MKYKTVSJKLUDRT-NDENLUEZSA-N 435.819 5.392 30 10 IKEE COc1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2OC)C3=O)cc1 1871377150 XKTDPBCMSOLQSS-ZLWWARENSA-N 442.467 5.247 30 10 IKEE CC(C)=C1Oc2cc(OC(=O)c3ccc(OC(=O)c4ccccc4)cc3)cc(C)c2C1=O 1871391721 GERBSNVCYIWORW-UHFFFAOYSA-N 428.440 5.302 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCCOc4cccc5ccccc45)ccc3C2=O)cc1 1871415499 FLXKQSUCHIZIFG-PKAZHMFMSA-N 438.479 5.922 30 10 IKEE C[C@H](Oc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O)C(=O)Nc1ccc(C#N)cc1 1871436112 MTXRKRMIKIOSKR-WQKDKYNYSA-N 444.874 5.234 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccc(C#N)cc4)cc(C)c3C2=O)c1 1871436343 VXVCVCSTCHNRJG-DNNAEVNTSA-N 438.483 5.197 30 10 IKEE Cc1c(OCCN2CCCCC2)ccc2c1O/C(=C\c1ccc(Br)cc1)C2=O 1871451244 KYXAQPMLDBTHHX-QNGOZBTKSA-N 442.353 5.238 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)cc1C)[C@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872549987 XOBOYVUQMBFHRM-WZONZLPQSA-N 446.588 5.063 30 10 IKEE CC(C)c1ccc(O[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 1872763383 KWYODRPAPWVYJI-MGPUTAFESA-N 435.505 5.485 30 10 IKEE CCOc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 1872765728 VTVGPBJQSREWOY-SFHVURJKSA-N 441.350 5.390 30 10 IKEE COc1cc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3C)cs2)cc(OC)c1OC 1872769816 YLMIRRAXIVNLSK-QRBZPYHOSA-N 448.544 5.342 30 10 IKEE COc1ccc(OC)c(-c2csc([C@@H](C#N)C(=O)Cc3cc(Cl)ccc3Cl)n2)c1 1872771627 YCYOLOZMXABKOB-INIZCTEOSA-N 447.343 5.553 30 10 IKEE CC(C)Oc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 1872773474 OLFUYULFDXVANK-QFIPXVFZSA-N 432.589 6.314 30 10 IKEE N#C[C@@H](C(=O)COc1cc(Cl)ccc1Cl)c1nc(-c2ccc(F)c(F)c2)cs1 1872780004 XLQQTNJZEPDNCN-LBPRGKRZSA-N 439.270 5.650 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc1OC 1872783240 VGFYZCLPMMVNAS-JRMCHAMMSA-N 432.545 5.724 30 10 IKEE CCCCCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc1 1872786058 COHPRZGVIIEQDU-HSZRJFAPSA-N 446.616 7.185 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H]2CCCC[C@H]2C)=C(c2ccc(F)c(C)c2)C1=O 1873152592 IQYYBUAPSSDREX-GCJKJVERSA-N 428.592 5.743 30 10 IKEE C=CCn1c(C(=O)Nc2cc(Cl)ccc2C)cc2c(NCc3cccc(C)c3)ncnc21 1873618121 ZAGJCXKDDAKNEV-UHFFFAOYSA-N 445.954 5.752 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(C(C)C)cc1)n2CCCC 1873657091 XINFQFJIOADZPD-UHFFFAOYSA-N 431.584 5.786 30 10 IKEE CCCc1ccc(OCc2nnc(SC)n2/N=C/c2ccc(Br)cc2)cc1 1874256608 KCBGPXIOHNGOHW-LPYMAVHISA-N 445.386 5.176 30 10 IKEE CCCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc(OC)c(OC)c1 1874284533 LWDQLGPKGASDPE-BUVRLJJBSA-N 444.988 5.118 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3C)n2/N=C/c2cccs2)cc1C 1874329104 WOXILCDOTHUPMP-WGOQTCKBSA-N 446.645 6.225 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3)n2/N=C/c2ccccn2)cc1C 1874330332 PMTGCUNKDCIXBA-WPWMEQJKSA-N 427.577 5.250 30 10 IKEE OCCCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1cccc2ccccc12 1874343628 ZYHVJXSEVZVCQQ-PCLIKHOPSA-N 436.968 5.032 30 10 IKEE Cc1ccc(C)c(CSc2nnc(COCc3ccccc3)n2/N=C/c2cccnc2)c1 1874355700 WZKFDQXRLGCPJK-JFLMPSFJSA-N 443.576 5.181 30 10 IKEE Cc1ccc(CSc2nnc([C@@H](C)c3ccccc3)n2/N=C/c2ccc(O)cc2O)cc1 1874392492 NREWCQMPJPMOCE-CMPFEXHJSA-N 444.560 5.324 30 10 IKEE Cc1cccc(CSc2nnc(Cc3cccs3)n2/N=C/c2ccccc2C(=O)O)c1 1874411989 VTXJONRSXXOSHV-ZVHZXABRSA-N 448.573 5.112 30 10 IKEE Fc1ccccc1/C=N/n1c(Cc2cccs2)nnc1SCc1ccc(Cl)cc1 1874414562 YJFDNPIBRVJHDM-ZMOGYAJESA-N 442.972 5.897 30 10 IKEE C=C(C)CSc1nnc(Cc2ccccc2)n1/N=C/c1ccc(OCC)c(OCC)c1 1874418105 YWYNAMXNWOFZRB-PCLIKHOPSA-N 436.581 5.217 30 10 IKEE COc1ccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C(C)(C)C)cc1 1874484528 ACUGYPWZMLARPY-WYMPLXKRSA-N 449.407 6.066 30 10 IKEE C=C(C)CSc1nnc(CC(C)C)n1/N=C/c1ccc(OCCCCCC)c(OC)c1 1874489956 SYMRDRREQTYKNI-PCLIKHOPSA-N 444.645 5.995 30 10 IKEE CCCOc1ccc(/C=N/n2c(CC)nnc2SCc2cccc(C)c2)cc1OCC 1874524185 AUPLJQNLCQUVLL-PCLIKHOPSA-N 438.597 5.511 30 10 IKEE FC(F)(F)c1nnc(S)n1/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1 1874559784 OMLIPYBRASMGIY-LIMNOBDPSA-N 447.269 5.354 30 10 IKEE C=CCOc1c(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc(Br)cc1OC 1874569987 MADJUTHCMGDHSW-BUHFOSPRSA-N 449.344 6.586 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(C)cc1 1874579516 SECSQGFYTUDAFA-WYMLVPIESA-N 433.935 6.124 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2)c(Br)c1OCc1ccccc1C 1874595308 DVSITXFWNDNBIG-WYMLVPIESA-N 437.333 6.241 30 10 IKEE COc1cc(C(=O)/C=C/c2cccc(OCc3cccc(Cl)c3)c2)c(OC)cc1Cl 1874598944 NJRAWSPLAPFCJR-MDZDMXLPSA-N 443.326 6.486 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1Cl)Nc1ccc(F)cc1 1874611456 KONLCJHECYFTNM-XLUWADSXSA-N 445.824 5.671 30 10 IKEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1Cl 1874615481 AOJJGRHXAKOEEV-XVNBXDOJSA-N 426.727 5.448 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 1874627839 YVZBTQMLKZWILP-YCRREMRBSA-N 429.806 6.002 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OCc1cc(C)ccc1C 1874635457 PJMKRNBXEDFVRH-ZRDIBKRKSA-N 428.572 7.103 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1)c1cccc(Cl)c1 1874699227 KQTIEUGHGRBYCC-JXMROGBWSA-N 442.254 6.017 30 10 IKEE Cc1cc(CC(=O)Oc2cccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)c2)ccc1F 1874711186 SZXQBEIIYSCHHM-ZRDIBKRKSA-N 430.519 6.412 30 10 IKEE C[C@H](C(=O)Oc1cccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)c1)c1ccccc1 1874712135 ATYLQCBYAWNCPE-QDUHJBTASA-N 448.518 7.084 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1)c1ccc(Cl)cc1Cl 1875104528 BLMOWJOJFLRTQS-XNTDXEJSSA-N 447.317 7.262 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)[C@H]1CCCO1 1875121824 JTVZAEWSLNJPFU-RQWLHQTBSA-N 426.896 5.058 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)c1cccc(F)c1 1875125905 GTAVZNIWHPFZMW-IZZDOVSWSA-N 440.854 5.612 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3cccs3)c(OC)c2)cc1 1875129705 PGQLJKZBVKMUIB-KPKJPENVSA-N 438.501 5.279 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1Cl)c1cccc(F)c1 1875153933 GALIWNNFIPYYOD-ACCUITESSA-N 430.862 6.748 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OC(=O)c1ccco1 1875160185 DYGHYHLWRJRSGV-FMIVXFBMSA-N 448.515 6.100 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)C2CC2)c([N+](=O)[O-])c1 1875168087 QZRBMPAVQQXDFA-QHHAFSJGSA-N 436.247 5.122 30 10 IKEE CCN(CC)c1cccc(OCC#CCNC(=O)[C@@H](c2ccccc2)C2CCCCC2)c1 1891231723 UWWCSEZQPAFFKP-MHZLTWQESA-N 432.608 5.395 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1[C@@H]2[C@@H]1CCCCN2C(=O)OC(C)(C)C 1922105866 ZNBJQZSERUILIQ-SBFWRKJZSA-N 428.617 5.163 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2C[C@](C#N)(N(C(=O)OC(C)(C)C)C3CCCC3)CC[C@H]21 1940541322 JTQKMKRIEGQSON-ROMRWMGNSA-N 433.593 5.238 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)C2=CCCCCCC2)C1 1997459304 SKVUZUNRWWLELF-SANMLTNESA-N 427.585 5.680 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)C1=CC[C@@H](C(C)(C)C)CC1 2010730546 ZPJRICIMHQLZOZ-FGZHOGPDSA-N 429.601 5.828 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@H](NC(=O)OC(C)(C)C)C2(C)C)cc1 2013403162 AALMOTSKPWMXDG-UUOWRZLLSA-N 429.561 5.322 30 10 IKEE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2032562527 VHCGXRNYXCAYFA-XDHUDOTRSA-N 447.551 5.497 30 10 IKEE C=C(C)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3[C@](C)(CO)[C@@H](O)CC[C@]43C)[C@H]12 2037748621 RFCPTXGFYWKJJB-PHVDLQBRSA-N 442.728 6.997 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1C[C@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2048078511 SHNVRWFDRFLSFR-CJFMBICVSA-N 449.636 6.018 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@H]3CC[C@@H]32)cc1 2057586137 PBRXVVQRLMWZQZ-RLSLOFABSA-N 441.572 5.418 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCN(C(=O)OC(C)(C)C)C2(C)C)cc1 2068178684 PBAFMARUSSSXQS-VWLOTQADSA-N 443.588 5.808 30 10 IKEE N#Cc1c(C(F)(F)F)nn([C@H](c2ccc(C3CCC3)cc2)C2CCC2)c1Br 2079986393 SPELEOLNTMBIRB-KRWDZBQOSA-N 438.291 6.193 30 10 IKEE Fc1ccc(-c2c(C3CCCC3)nn(C(F)(F)F)c2Br)c(C(F)(F)F)c1 2080801035 AYIIXHVIWYYTGV-UHFFFAOYSA-N 445.176 6.604 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]([C@@](C)(C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 2082166091 OFZUDIOJEYUXOW-MPCDZSKCSA-N 449.636 5.922 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(Cl)cccc1Br 2089287636 ZHODBBYNPVAZIJ-WMZOPIPTSA-N 443.813 5.450 30 10 IKEE CCN[C@@](C#N)(CCN(CCN(C)Cc1ccccc1)Cc1ccccc1)c1ccccc1 2095878504 ZWCJGWMWIRPBPP-GDLZYMKVSA-N 440.635 5.039 30 10 IKEE CC(C)(C)OC(=O)NC1(CNc2cc(Br)c(C#N)cc2F)CCCCC1 2106099545 NBKRXSWFDDKBGK-UHFFFAOYSA-N 426.330 5.099 30 10 IKEE CO[C@H]1CC(F)(F)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2162037968 YINWHHNJFTVLBC-YJBOKZPZSA-N 445.304 5.287 30 10 IKEE CN(CCc1ccc(Nc2ccc(C#N)cc2Br)cc1)C(=O)OC(C)(C)C 2162302453 PHMSCFKIGSRYBS-UHFFFAOYSA-N 430.346 5.474 30 10 IKEE C[C@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)Nc1cc(Br)c(C#N)cc1F 2162420847 AKOYEJQPKBJWPA-RNODOKPDSA-N 440.357 5.345 30 10 IKEE CCN[C@@H](C#Cc1ccccc1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2191236783 QTHVXOZACBRRFO-LJAQVGFWSA-N 447.578 6.547 30 10 IKEE C#C[C@@H](NC(=O)c1ccc(Br)c(NC(=O)OC(C)(C)C)c1)C1CCCCC1 2203790892 OCVVCAJWPXMEIX-QGZVFWFLSA-N 435.362 5.108 30 10 IKEE COc1cc(F)ccc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2204542470 AVNRXYOBXLULMN-KRWDZBQOSA-N 435.293 5.603 30 10 IKEE CCC(=CC(=O)c1sc(Br)c(Br)c1Br)CC 2212190180 UCBDKSMVLSCDKG-UHFFFAOYSA-N 430.987 5.965 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCC)c2sc(Br)c(C)c2C)C1 2254686545 VINKSQYQWKOMPV-HNNXBMFYSA-N 429.424 5.392 30 10 IKEE C[C@H](N(Cc1ccccc1)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(C)(C)C 2267642071 KYODIDZLYUITEH-IBGZPJMESA-N 436.405 5.455 30 10 IKEE CC(C)(C)OC(=O)NCc1ccc(Cl)cc1Nc1cc(Br)ccc1C#N 2268696164 BIFDJAVFJDYRFE-UHFFFAOYSA-N 436.737 5.742 30 10 IKEE COc1ccc(C=C2SC(=Nc3ccc(Br)cc3C)NC2=O)cc1Cl 2294028436 JGMVFJLFZKPFLZ-UHFFFAOYSA-N 437.746 5.311 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@](C)(NC(=O)OC(C)(C)C)C(C)(C)C 2296292069 UNJGJSWYIUNRLT-PGRDOPGGSA-N 437.422 5.108 30 10 IKEE CCCCCCCOc1ccc(C=C2C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 2313518069 CRPRXIIGNMIIAZ-UHFFFAOYSA-N 438.571 6.870 30 10 IKEE O=C1C(=CC=Cc2ccccc2)SC(=NN=Cc2ccccc2O)N1Cc1ccco1 2314819252 WFGQLJVTJNJWQU-UHFFFAOYSA-N 429.501 5.048 30 10 IKEE C=Cc1ccc(COc2ccc3c(c2C)OC(=Cc2ccc(OC)cc2OC)C3=O)cc1 2321863178 MUXMFUFNSHKUGG-UHFFFAOYSA-N 428.484 5.850 30 10 IKEE CCOc1cc(C=Nn2c(S)nnc2C(C)(C)C)ccc1OCc1ccccc1Cl 2321908560 IINGOERERHSFGQ-UHFFFAOYSA-N 444.988 5.378 30 10 IKEE O=C1C(=Cc2ccccc2Br)Oc2c1ccc1c2CN(Cc2ccccc2)CO1 2321978930 ZTRSZGLZNGBAFT-UHFFFAOYSA-N 448.316 5.417 30 10 IKEE COc1ccc(OC)c(C=C2Oc3c(ccc4c3CN([C@H](C)c3ccccc3)CO4)C2=O)c1 2322092194 PGMVDLGNHQLMIU-QGZVFWFLSA-N 443.499 5.233 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)c1OCc1ccccc1C 2322312031 RVVVCPFJWWNIFS-UHFFFAOYSA-N 437.879 6.040 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccccc2OCc2ccccc2F)cc1 2322749003 RVMAVCFMDMELAU-UHFFFAOYSA-N 446.562 7.650 30 10 IKEE Cc1cc(OC(=O)C=Cc2ccc(F)cc2)cc2c1C(=O)C(=Cc1ccc3c(c1)OCO3)O2 2323047409 BHQYRACYKITPLQ-UHFFFAOYSA-N 444.414 5.098 30 10 IKEE O=C(C=Cc1ccc(OCc2c(F)cccc2Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 2323370886 DGHKWGGRECSSFM-UHFFFAOYSA-N 446.261 6.516 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)Cc4ccc(Cl)c(Cl)c4)ccc3C2=O)c1 2323417044 BZNAMHFGNCGRQY-UHFFFAOYSA-N 439.294 6.066 30 10 IKEE CCCN1CCC(=O)C(=Cc2ccc(OCc3ccc(Br)cc3)c(OC)c2)C1 2323844198 ILEHRGYNYIXBQU-UHFFFAOYSA-N 444.369 5.105 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Cl)c1OCc1ccccc1C 2323858643 XWGBFRXCMLWLSK-UHFFFAOYSA-N 434.963 7.139 30 10 IKEE Cc1c(OC(=O)CCc2cccs2)ccc2c1OC(=Cc1ccc(N(C)C)cc1)C2=O 2323983498 PFYZGYRKWRMWCI-UHFFFAOYSA-N 433.529 5.277 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc(Cl)c1OCCO 2324265151 JYNDFFPTGOORIP-UHFFFAOYSA-N 432.944 5.446 30 10 IKEE CCOc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 2324534771 JSORGUBNPGSFPM-QGZVFWFLSA-N 443.355 6.405 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCCCOc3cccc(C)c3)cc(C)c2C1=O 2324567881 YJJWMDNWOCSFEE-UHFFFAOYSA-N 444.527 6.166 30 10 IKEE COc1ccc(C=C(C(=O)[C@@H](C#N)c2nc(-c3cccs3)cs2)c2ccccc2)cc1 2324588858 MCMHLRJCPALENN-OAQYLSRUSA-N 442.565 6.297 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)C=Cc2ccc(C)cc2)n1 2324677007 DIMFRBFFKBMMHZ-OAQYLSRUSA-N 430.573 6.314 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(Cl)cc1Cl 2325517676 AWYRHKGVIMCGDH-UHFFFAOYSA-N 437.371 6.241 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(N(CC)CC)cc1 2325603755 BMQBBRCDGSKXJY-UHFFFAOYSA-N 443.620 6.014 30 10 IKEE COc1cc(C=CC(=O)C(=O)Nc2ccc(Cl)cc2C)ccc1OCc1ccccc1 2325649583 PUMDTRTWPXOLEF-UHFFFAOYSA-N 435.907 5.457 30 10 IKEE O=C(C=Cc1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 2325669627 RFBSERLLFWOFFB-UHFFFAOYSA-N 436.851 5.048 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(OC)c(OC)c3)c2)cc1C 2325714668 UXHANMUXAQDYPP-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE CCc1ccc(CCC(=O)Oc2cccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 2325722556 OVXIYYMYUXETJG-UHFFFAOYSA-N 429.472 5.592 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1cccc(C=CC(=O)c2cccc(Cl)c2)c1 2325728247 YKIFJDLQNROOAZ-UHFFFAOYSA-N 426.899 6.537 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(OC)c([N+](=O)[O-])c3)c2)cc1 2325735108 LINAHTVWJPOEPE-UHFFFAOYSA-N 447.443 5.117 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cccc(C)c3)c2)c1 2325743889 CHBCDSUOMXEKOT-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1OC(=O)c1ccc(C)cc1 2325757068 SNPZTCBWNLEVOX-UHFFFAOYSA-N 430.500 5.744 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)CSc3ccccc3)c2)cc1Cl 2325769565 AMFOUYUZSKZNAM-UHFFFAOYSA-N 438.932 5.942 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(F)c(F)c3)c2)c2ccccc12 2325777416 ZQTBVEVWZPPYGJ-UHFFFAOYSA-N 444.433 6.242 30 10 IKEE COc1ccccc1C=Nn1c(CCCOc2ccc3ccccc3c2)nnc1SC 2325882808 HEXSMLQPOFOQIH-UHFFFAOYSA-N 432.549 5.056 30 10 IKEE CCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccccc1[N+](=O)[O-] 2326589079 XXICJPHWJCXUCB-UHFFFAOYSA-N 431.521 5.119 30 10 IKEE CCSc1nnc(COc2ccccc2Cl)n1N=Cc1ccc(C(C)(C)C)cc1 2327638487 QRHFXJQTYNRCPW-UHFFFAOYSA-N 428.989 5.802 30 10 IKEE C=C(C)CSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(Cl)cc1 2327749672 AOYBCRSUKSMLSJ-UHFFFAOYSA-N 432.980 6.226 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1N=Cc1ccccc1C(=O)O 2328179823 VXARBJLTEONBJI-UHFFFAOYSA-N 426.586 5.601 30 10 IKEE CCCSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1c(Cl)cccc1Cl 2328799260 XTCGKJLRFVMUKV-UHFFFAOYSA-N 449.407 6.165 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cccc(OC)c3)cc2[N+](=O)[O-])cc1 2330786148 VHBLUDQJFWPPCA-UHFFFAOYSA-N 431.444 5.281 30 10 IKEE Cc1ccc(CSc2nnc(CC(C)(C)C)n2N=Cc2cn(C)c3ccccc23)cc1 2330802195 KCKVNTMKHMBHPA-UHFFFAOYSA-N 431.609 5.841 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 2330889112 ILYMFUAEZYZTBV-UHFFFAOYSA-N 432.270 5.349 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)ccc1OC(=O)CC1CCCCC1 2330939340 UVJOCSOSFBBBAY-UHFFFAOYSA-N 426.940 6.511 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)cc2)cc(OC)c1OC(=O)c1ccccc1C 2330986791 OHIRKMFVIMOUAU-UHFFFAOYSA-N 442.511 5.856 30 10 IKEE COC(=O)c1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2C2CCCC2)cc1 2331049476 FVHCTSDRSFCIFQ-UHFFFAOYSA-N 438.528 5.036 30 10 IKEE CCCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccccc2OC)cc1OCC 2331079349 KBWGMHJFVPOCJL-UHFFFAOYSA-N 447.325 5.458 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3OC)c(OC)c2)cc1 2331211403 XVXUFSPCAMVMLT-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2)cc1 2331215824 DTGXPKONOKKNGY-UHFFFAOYSA-N 428.528 6.136 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc4c(c3)OCO4)c([N+](=O)[O-])c2)c(C)c1 2331225260 DPOOWHSDBACNAO-UHFFFAOYSA-N 445.427 5.056 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)c(C)c3)c([N+](=O)[O-])c2)c(C)c1 2331225561 PTWIAPIRTKYEPI-UHFFFAOYSA-N 447.462 5.703 30 10 IKEE CCCOc1ccc(C=Nn2c(CCOC)nnc2SCc2ccc(Cl)cc2)cc1 2331304958 YGGLLICXBUMDIG-UHFFFAOYSA-N 444.988 5.084 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc([N+](=O)[O-])c1OC(=O)C(C)(C)C 2331326017 PRYOFYDNMQSQOT-UHFFFAOYSA-N 425.481 5.458 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)c1cccc(C)c1 2331331648 ZEVQAGJCRDOFLH-UHFFFAOYSA-N 438.882 6.220 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)c(C)c3)c(OC)c2)c1 2331394759 VMXQCZDIYMAZQO-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE Clc1ccccc1CSc1nnc(C2CCC2)n1N=Cc1cccc2ccccc12 2331527767 WINVCFRHXGFDCX-UHFFFAOYSA-N 432.980 6.527 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2OC)c1 2331716307 OJSWYPKQGXEKDC-UHFFFAOYSA-N 430.500 5.826 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3)cc2)c(OCC)c1 2331731223 PFNTYFSLPVMBFL-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3)c([N+](=O)[O-])c2)cc1C 2331851560 RSAVFRJEJBPAQD-UHFFFAOYSA-N 449.434 5.475 30 10 IKEE CCCCCCCCCOCc1cc(I)ccc1Br 2341773547 QAPVKZJJZZTYJR-UHFFFAOYSA-N 439.175 6.321 30 10 IKEE CCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(O)c(Cl)c2)C2=C1CC(C)(C)CC2=O 2602898 RPJIHVNIMSZMPB-UHFFFAOYSA-N 427.972 5.751 30 10 IKEE Clc1ccc(/C=N/c2ccc3nc(-c4cccc(Br)c4)oc3c2)c(Cl)c1 3102956 IWYWAJTYHPKRQH-BHGWPJFGSA-N 446.131 7.315 30 10 IKEE COc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 9597276 ZBAISACIXZAJKW-QFIPXVFZSA-N 442.563 5.352 30 10 IKEE C[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@@H]2c1ccc(F)cc1 17094853 JWFZROWXQOYMQA-MRDQGFSESA-N 426.491 5.892 30 10 IKEE Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC(C)C)cc2)C3)cc1 21224579 OGVBNLVPHJLMPJ-KPURRNSFSA-N 438.571 6.762 30 10 IKEE CC[C@H](C)Oc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1cccs1)C2 21240546 PJPXODVMDIJUEQ-VFUKXHBFSA-N 444.600 6.905 30 10 IKEE Cc1cc(C)cc(N/C(=N\C(=O)c2ccccc2F)NCCc2c[nH]c3ccccc23)c1 32943088 LRPIWYUNIDRPSO-UHFFFAOYSA-N 428.511 5.364 30 10 IKEE CCOC(=O)c1ccc(-c2ccc(/C=C\C(=O)c3ccc(Br)cc3)o2)cc1 33424551 UABRPSONZAGZLU-QBFSEMIESA-N 425.278 5.782 30 10 IKEE CC1(C)CC(=O)C=C(OC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)C1 33809226 ZNKBQLHEZLFBSN-UHFFFAOYSA-N 448.522 6.394 30 10 IKEE O=C(Nc1ccccc1)c1c(/N=C/c2ccc(N3CCCCC3)o2)sc2c1CCCC2 59198929 DNIHJKVUBUSIQB-YZSQISJMSA-N 433.577 6.213 30 10 IKEE Cc1cc(NS(=O)(=O)c2ccc(/N=C/c3ccc(OCc4ccccc4)cc3)cc2)no1 59466982 MABAKQCAUVRKBY-PCLIKHOPSA-N 447.516 5.113 30 10 IKEE Cc1cccc(NC(=O)c2cnn3c2NC2=C(C(=O)CC(C)(C)C2)[C@@H]3c2ccccc2)c1 64873945 ZWQGFFFWTRPOAI-QHCPKHFHSA-N 426.520 5.102 30 10 IKEE COC(=O)C1(c2ccccc2)CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1 83318622 PTTHINUSKBXVQQ-UHFFFAOYSA-N 438.571 5.093 30 10 IKEE O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1cccc(Cl)c1Cl)c1c(O)n[nH]c1N2 98036629 JLVGSBSCDDEIGY-RFAUZJTJSA-N 432.332 5.442 30 10 IKEE CCCCCCCOc1cccc(NC(=S)NC(=O)c2cccc(OCCCC)c2)c1 100246765 CTBYAGWOWHEUTP-UHFFFAOYSA-N 442.625 6.342 30 10 IKEE CCCCCCCn1c([C@H]2CC(=O)N(c3cccc4ccccc34)C2)nc2ccccc21 101042102 CAVAYSBLQBJTIL-QFIPXVFZSA-N 425.576 6.680 30 10 IKEE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N\Nc2ccccc2)CC(C)(C)C3)cc1 101109054 GKOZTWAWZNIOMJ-BRPDVVIDSA-N 445.519 5.416 30 10 IKEE COc1ccc(/C=C2/Oc3cc(OCc4c(F)cccc4Cl)ccc3C2=O)cc1OC 103016806 LXMGYQGRPKVZJN-FOKLQQMPSA-N 440.854 5.692 30 10 IKEE Sc1nnc(Cc2ccccc2)n1/N=C\c1cccc(OCc2ccc(Cl)cc2)c1 169911567 JBNTYASYLOWIAK-MYYYXRDXSA-N 434.952 5.272 30 10 IKEE CCOc1cc([C@H]2NC(=S)N(CC)C(C)=C2C(C)=O)ccc1OCc1ccc(C)cc1 169933208 CLFYUYKVUPXGGB-XMMPIXPASA-N 438.593 5.087 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2cccc(C)c2)c1 169968454 RQYAWEMPBRPISA-QFIPXVFZSA-N 435.426 5.065 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2cccs2)cc1 169984204 LUMWITNOEVTVPL-OAQYLSRUSA-N 437.948 6.055 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2cccs2)c1 169985678 KECFBVASQHMDNT-HXUWFJFHSA-N 439.920 5.583 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccnc1 170005467 BSPFPSRMGOVGJG-FQEVSTJZSA-N 439.298 5.480 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccc2ccccc12 170045970 FSILEEIBPQZPQI-DEOSSOPVSA-N 429.516 5.071 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccccc2)c1 170047469 STGVOJZCIIBLFG-DEOSSOPVSA-N 427.500 5.485 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1c[nH]c2ccccc12)c1cccc(Cl)c1 170078303 PIUBOYLKSWZZJA-QFIPXVFZSA-N 434.923 5.732 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2sccc2C)cc1 170106148 WEISKOZVQMWOLQ-QFIPXVFZSA-N 431.557 6.019 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccs2)c1 170163915 WFQFQICTUVMYSA-LJQANCHMSA-N 431.941 5.321 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccccc1F 170253403 SIZBPYPZMHGHDV-HXUWFJFHSA-N 429.875 5.009 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2OCC)[C@H]1c1ccc(CC)cc1 170267912 DGQDTSJGHZOMTD-HSZRJFAPSA-N 437.536 5.035 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cn(C)c2ccccc12 170269225 ZKXQRTVKOSNSSC-HSZRJFAPSA-N 428.488 5.303 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2C)cc1Cl 170272447 DIKNYUMGAWYAFZ-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(Cl)c3)[C@@H]2c2ccco2)c1 170285655 SRHKFZHOOBQXEV-FQEVSTJZSA-N 442.298 5.986 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2c2ccccc2C)o1 170305619 CFBLPQXDGJUVRG-XMMPIXPASA-N 445.515 5.775 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2sccc2C)c1 170319681 NPVKKGCMKOTJJU-SFHVURJKSA-N 431.941 5.239 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3cc(C)c(OC)cc3C)=C(O)C(=O)N2CCC)c1 170323738 IEKSASBWUZSLEH-HSZRJFAPSA-N 437.536 5.089 30 10 IKEE O=C(/C=C/C=C\c1ccccc1)C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21 252581652 IHJRFJPQJFYAPL-LKXNIVMFSA-N 443.930 5.303 30 10 IKEE CCOc1ccc(N=C2S/C(=C\c3c[nH]c4ccccc34)C(=O)N2C2CCCCC2)cc1 252617165 KNLCQTIEBLYWRY-VYYDMKJGSA-N 445.588 6.503 30 10 IKEE C=CCn1c(SCCC(=O)Nc2cccc(C)c2)nnc1C12CC3CC(CC(C3)C1)C2 253573626 RQMICHGFASPEJV-UHFFFAOYSA-N 436.625 5.361 30 10 IKEE C=CCN1C(=O)[C@H](Cc2ccc(SC(F)F)cc2)SC1=Nc1ccc(C(=O)O)cc1 254739980 HBKZEXDNNIEMKH-KRWDZBQOSA-N 448.516 5.060 30 10 IKEE COc1ccc(Nc2ccc(N=C3C=C(c4ccccc4)[C@](O)(c4ccccc4)C3)cc2)cc1 254753984 XNTQEFLKIURNSJ-SSEXGKCCSA-N 446.550 6.886 30 10 IKEE Cc1c(N=Cc2cn(-c3ccccc3)nc2-c2ccccc2)c(=O)n(-c2ccccc2)n1C 254904550 PNKDORBZKGUUQR-UHFFFAOYSA-N 433.515 5.088 30 10 IKEE N#Cc1cc(Sc2nnc(-c3ccco3)n2Cc2ccco2)nc2ccc(Cl)cc12 301950823 GYBXHWIONYTPDG-UHFFFAOYSA-N 433.880 5.404 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(OC)c(Cl)c2)c1 526514059 BAHUJICHGABBGK-QHCPKHFHSA-N 446.890 5.286 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@H]2c2c[nH]c3ccccc23)c1 526516141 NDOVGTWMPSZQFG-HSZRJFAPSA-N 425.875 5.750 30 10 IKEE CCCOc1ccccc1/C=N\n1c(Cc2ccccc2)nnc1SCc1ccccc1 526799396 FWICPDVWJPJFBS-DIBXZPPDSA-N 442.588 5.832 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1cccc(Br)c1 526811240 FZJTXPLRGXELGV-UUYOSTAYSA-N 449.805 5.821 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1c(C)n(C)c2ccccc12 526819056 MZCXROPVDGGCJV-YUMHPJSZSA-N 445.636 6.212 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1ccc(Cl)cc1Cl 526819578 YNMVDOWSQYZPLX-MSXFZWOLSA-N 433.408 6.329 30 10 IKEE CCOc1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2cccc(Cl)c2)cc1 586219721 GOHYINRCSJQHAO-UHFFFAOYSA-N 426.925 5.006 30 10 IKEE COc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)cc1F 698458766 UOCCUZJLQOAINI-KRWDZBQOSA-N 435.293 5.603 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C1 698835104 ZBIOVZUFLFLKFA-QMHKHESXSA-N 449.979 5.621 30 10 IKEE O=[N+]([O-])c1ccc(O)c(C=Nc2cc(C(F)(F)F)ccc2OCC(F)(F)C(F)F)c1 1084004900 FRSUZBXILMKHMN-UHFFFAOYSA-N 440.271 5.349 30 10 IKEE CCCCCCN(CCCCCC)CN1C(=O)C(=Nc2ccc(OC)cc2)c2ccccc21 1084022130 AQBDZUCLPDCUST-UHFFFAOYSA-N 449.639 6.583 30 10 IKEE CC(C)(C)c1ccc(O)c(N/C(=N/Cc2ccc3c(c2)OCO3)NCc2cccs2)c1 1088652508 XNVJAPLPRBQQHN-UHFFFAOYSA-N 437.565 5.238 30 10 IKEE C[C@H]1CC(=Nc2ccc(F)c(F)c2)c2cc(F)ccc2N1C(=O)c1ccc(F)c(F)c1 1088698755 YKUSXDHEUFSVRF-LBPRGKRZSA-N 430.376 5.942 30 10 IKEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1740783304 DDAFBKOPBFQOOF-SFHVURJKSA-N 425.602 5.000 30 10 IKEE CCCCOc1ccc(/C=C2\SC(=Nc3cccnc3Cl)N(CC)C2=O)cc1OC 1772733705 AHYPKQXGCLFRLT-ZQFCNSAKSA-N 445.972 5.546 30 10 IKEE Cc1ccc(COc2ccccc2/C=C2\SC(=Nc3nc(C)cs3)N(C)C2=O)cc1 1772734814 NYSMHACZFYHWAB-OBBBTXPFSA-N 435.574 5.573 30 10 IKEE CCCCCCCCCCNC(=O)c1c2c(nc3c(Br)cccc13)CCOC2 1859577793 ONZOMDFGQOAKKS-UHFFFAOYSA-N 447.417 5.941 30 10 IKEE N#Cc1cccc(C(=O)Oc2ccc(C3CCN(C(=O)c4ccc(F)c(F)c4)CC3)cc2)c1 1860701280 UNNWPJRTUKSVIY-UHFFFAOYSA-N 446.453 5.075 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(C(F)(F)F)cc1)c1ccccc1Cl 1862444118 UGSFQPKNCFWONM-IBGZPJMESA-N 449.856 5.880 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1 1862497044 AKTKPYJYDJFTGH-FQEVSTJZSA-N 442.899 5.099 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(F)cc1F 1862546023 OANGLGDDUVFHKZ-QFIPXVFZSA-N 425.475 5.078 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2Cc2ccccn2)c1 1862613953 UFMPSXJJIMIMPW-XMMPIXPASA-N 440.543 5.466 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C2CCCC2)cc1 1862616042 PELNRCVZBCCDMN-RUZDIDTESA-N 445.603 6.628 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccc(C)cc2)cc1F 1862636221 BJSQRPYPBLVZER-XDHUDOTRSA-N 445.490 5.482 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc(F)cc2)cc1 1862663140 PTWMJWCYQKQNDE-VXWZWFMZSA-N 435.539 6.106 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 1862681840 BYBCETXIONCOEP-FQEVSTJZSA-N 448.321 6.044 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccccc2Cl)c1 1862700490 HTIPUQGXBAXAAT-JOCHJYFZSA-N 439.939 5.650 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 1862746598 CGVHHEQQXCHICO-UGKGYDQZSA-N 436.508 5.532 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C(C)C)c(C)c2)=C(c2cccs2)C1=O 1863479134 FKVOKZGRXIFCEY-UHFFFAOYSA-N 438.637 6.732 30 10 IKEE CC(C)c1nc(Nc2ccccc2C#N)cc(N2CCN([C@H](C)c3cccs3)CC2)n1 1868237664 BSAQRKWICDQRQJ-GOSISDBHSA-N 432.597 5.160 30 10 IKEE CCc1ccc([C@@H]2CN(c3cc(Nc4ccccc4C#N)nc(C(C)C)n3)CCO2)cc1 1868238786 WPGUCBYALNEZMW-QHCPKHFHSA-N 427.552 5.356 30 10 IKEE N#Cc1ccccc1Nc1cc(N2CCc3ccc([N+](=O)[O-])cc32)nc(-c2ccccc2)n1 1868372086 BCKIVKPKWJQUQI-UHFFFAOYSA-N 434.459 5.361 30 10 IKEE COc1ccc2c(c1)C[C@@H](C)CN2c1cc(Nc2ccccc2C#N)nc(-c2ccccc2)n1 1868373634 XNGQHAFVENQPCJ-LJQANCHMSA-N 447.542 6.098 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCCCOc2cccc(C)c2)cn1CCCC 1870313920 PBYFTVZORSRSQN-UHFFFAOYSA-N 438.612 5.369 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(Cl)cc2Cl)cn1CCCC 1870345324 SFXSZPRTMKTHLF-UHFFFAOYSA-N 435.395 5.708 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCCOc2ccc(CC)cc2)cn1CCCC 1870454352 NZUUUGAEKYBWRJ-UHFFFAOYSA-N 438.612 5.233 30 10 IKEE CCCCCCCCn1cc(OCc2c(C)noc2C)c(=O)cc1CN(C)CCCC 1870565509 LIXKBIBIVQQIGH-UHFFFAOYSA-N 431.621 5.625 30 10 IKEE C=CCn1cc(OCCOc2ccc(Cl)cc2)c(=O)cc1CNc1ccc(F)c(F)c1 1870882700 DZQNMWGCNKQRBA-UHFFFAOYSA-N 446.881 5.036 30 10 IKEE C=CCn1cc(OCc2ccccc2)c(=O)cc1CNc1ccc(N2CCCCC2)cc1 1870894609 KDJMJKSDEIVEKC-UHFFFAOYSA-N 429.564 5.216 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc4c3CN(C35CC6CC(CC(C6)C3)C5)CO4)C2=O)cc1 1871353013 LRWRAQRUPPWYQN-ZRGSRPPYSA-N 441.571 5.986 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O)c1cc(Cl)ccc1Cl 1871380850 GGRZRXPBUKOEMQ-UKWGHVSLSA-N 429.230 5.968 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccccc4C)cc(C)c3C2=O)c1 1871409520 QDKPGHKAAZOJDT-QHSFOXILSA-N 427.500 5.634 30 10 IKEE Cc1cc(OCCC(=O)OCCC(C)C)cc2c1C(=O)/C(=C/c1cccc(Cl)c1)O2 1871429144 JKCFQSRUUJLYJW-BKUYFWCQSA-N 428.912 5.623 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cc(C)ccc4C)cc(C)c3C2=O)cc1 1871460325 HCSBXNBJTFIAOJ-CFRMEGHHSA-N 443.499 5.254 30 10 IKEE C=CCN(CC=C)c1nc(=NCCCCCCCC)nc(Nc2ccc(OCC)cc2)[nH]1 1871530141 XGNUVJKVQMWKQJ-UHFFFAOYSA-N 438.620 5.387 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(Cl)cc1C)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872489300 WPNZODBQTJJHGJ-JOCHJYFZSA-N 449.016 5.105 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(C(C)C)cc3)n2)cc1 1872762401 LPIXTWTXJFXJPC-VLSFKVKESA-N 428.601 7.166 30 10 IKEE CCc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(C(C)(C)C)cs2)c(Br)c1 1872768825 CWWJCLUFQWIEMF-OAHLLOKOSA-N 449.414 5.801 30 10 IKEE COc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)c(OC)c1 1872778582 OMXUKNCTNKYFDB-HXUWFJFHSA-N 434.561 5.480 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)c3cccc(OC(C)=O)c3)n2)cc1C(C)C 1872779717 PONVBTUHQONXNL-NRFANRHFSA-N 448.544 5.666 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccccc2Cl)=C(c2cccnc2)C1=O 1873265559 QAPJWBIWYNPNDR-UHFFFAOYSA-N 439.987 6.068 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C)c2)cc2c(NCCCCCCCCCC)ncnc21 1873629010 GEXIOLNURABPJT-UHFFFAOYSA-N 447.627 6.731 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3cc(Cl)cc(Cl)c3)c(=O)oc2c1 1873945191 KSBHCAGUMWGUFV-UHFFFAOYSA-N 432.303 5.544 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccc(N(C)C)cc1 1874231135 UJEGJJLSWBUQPO-ZVHZXABRSA-N 444.004 5.269 30 10 IKEE CCCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc(C(C)C)cc1 1874233777 ATBRYMOINHFUFS-TURZUDJPSA-N 442.632 6.724 30 10 IKEE C=CCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1cccc([N+](=O)[O-])c1 1874233860 FQPGLRFPAZAJHW-KOEQRZSOSA-N 443.532 5.285 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(OCC)cc2)n1/N=C/c1ccccc1Cl 1874235664 UOYNURVWRJQXOC-ZMOGYAJESA-N 442.972 5.460 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2Cl)n1/N=C/c1c(F)cccc1Cl 1874279101 UHFNZTPDQWYWJW-BRJLIKDPSA-N 449.382 6.060 30 10 IKEE CCCCC1CCC(c2nnc(SCC(=O)OCCC)n2/N=C/c2cccn2C)CC1 1874287173 RCOPSLFSLFJMHY-LFVJCYFKSA-N 445.633 5.008 30 10 IKEE Fc1ccc(CSc2nnc(-c3ccccc3Cl)n2/N=C/c2cccc(F)c2)cc1 1874364575 KAZSWTREUQFCJD-LGJNPRDNSA-N 440.906 6.051 30 10 IKEE COc1ccc(/C=N/n2c(COc3ccccc3)nnc2SCc2ccccc2C)cc1 1874382920 PLBARGBBFHYBLN-WGOQTCKBSA-N 444.560 5.349 30 10 IKEE Cc1ccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2cc(C)ccc2O)cc1 1874405483 ZSSTWJUGAHQTOH-WGOQTCKBSA-N 434.609 5.898 30 10 IKEE C=CCSc1nnc(Cc2cccs2)n1/N=C/c1ccc(OCCC)c(OCC)c1 1874413510 XXEAWABXPOCPCN-XQNSMLJCSA-N 442.610 5.278 30 10 IKEE Fc1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2ccc(F)cc2F)cc1 1874421014 PVUKVMDSKOYUAS-BHGWPJFGSA-N 430.480 5.598 30 10 IKEE Cc1ccsc1/C=N/n1c(SCc2cccc3ccccc23)nnc1[C@@H]1CCCO1 1874449500 DKZVEZRSICMWGC-PGLVWIQMSA-N 434.590 5.827 30 10 IKEE CCOc1cc(/C=N/n2c(SCc3cccc(F)c3)nnc2C2CCCC2)ccc1O 1874454880 ZMOHRTXAAKWPQJ-AFUMVMLFSA-N 440.544 5.354 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccco3)n2/N=C/c2c(F)cccc2Cl)c1 1874465795 BKHTURYVCASSKU-WYMPLXKRSA-N 426.904 5.814 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(SCc2ccccc2)nnc1C(C)(C)C 1874481608 FKTHQFLRZUMUMF-WGOQTCKBSA-N 430.577 5.912 30 10 IKEE O=C(O)c1ccccc1/C=N/n1c(SCc2cccc(Cl)c2)nnc1C1CCC1 1874497294 DLAHVQKQVHJIKD-FSJBWODESA-N 426.929 5.072 30 10 IKEE CCCSc1nnc(COC)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874502550 NFVYQNGQZRSBKO-YDZHTSKRSA-N 430.961 5.041 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C(C)C)c(OC)c1 1874515020 NAWNIZQVMSYZQZ-CVKSISIWSA-N 446.576 5.746 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccccc1/C=C/C(=O)c1ccc([N+](=O)[O-])cc1 1874575417 MLIIFBSTPFEQAD-NTCAYCPXSA-N 430.460 5.125 30 10 IKEE CCCNC(=O)COc1c(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Cl)cc1OC 1874584099 WKZCNZGRCVRKKM-ZHACJKMWSA-N 429.944 5.273 30 10 IKEE COC(=O)c1ccc(COc2cccc(/C=C/C(=O)c3ccc(-c4ccccc4)cc3)c2)o1 1874593249 ZYPVVVBODPZIDN-MHWRWJLKSA-N 438.479 6.208 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2cccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)c2)c1 1874594027 OACVYSTYMUYMQP-JLHYYAGUSA-N 439.555 6.096 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccc2c(c1)CCCC2 1874603990 PHJJPCAXZUHONU-VGOFMYFVSA-N 437.366 7.347 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)N(CC)CC)c(Br)c2)cc1 1874604868 JINNDRWBIJSYGO-UKTHLTGXSA-N 444.369 5.155 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OCc1cccc2ccccc12 1874611855 VTFWRIGANFNYOC-BMRADRMJSA-N 438.523 6.722 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1)c1ccccc1 1874614308 DZTJGPSLOWPZGB-UXBLZVDNSA-N 428.271 6.377 30 10 IKEE COc1c(Br)cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1Br 1874618675 NINKKBJRJFNWHB-ZZXKWVIFSA-N 428.095 5.564 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1F 1874621227 AFSRGJNEPVXONA-BJMVGYQFSA-N 431.290 6.616 30 10 IKEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(F)c(F)c3)cc2Cl)o1 1874626008 HTUJNLWDLPNPTC-FARCUNLSSA-N 432.806 5.473 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1Cl)NC1CCCCC1 1874626144 OGQWJVFBCAECDN-UXBLZVDNSA-N 433.882 5.342 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OCc3ccccc3)c(Cl)c2)c1 1874630382 DLVUEDLJKBDNDS-JLHYYAGUSA-N 436.935 6.613 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1cccc(/C=C/C(=O)c2ccc(Cl)cc2)c1 1874700917 SIGIQOZRRTUSBG-VZUCSPMQSA-N 427.283 6.117 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCCOc3ccccc3C(C)C)c2)cc1 1874701771 JONTTXHDPQLLNX-OBGWFSINSA-N 442.555 6.779 30 10 IKEE COc1cc(C(=O)/C=C/c2ccc(OC)c(OC(=O)CC(C)(C)C)c2)c(OC)cc1Cl 1874711943 NPKLUBZTDBYNLJ-VQHVLOKHSA-N 446.927 5.604 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-] 1875078634 VKMXHOBATBYUCC-MHWRWJLKSA-N 429.472 6.254 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1OCC 1875094282 KRFLGUZDGBYESC-WYMLVPIESA-N 425.481 5.765 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1 1875099286 ZWQSBAPLTWOUNZ-XNTDXEJSSA-N 446.499 5.147 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)C3CCCC3)c(Br)c2)cc1C 1875108580 VQTCGRNDHDRPAK-JXMROGBWSA-N 443.337 5.758 30 10 IKEE CCCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2ccc(Br)cc2)cc1OC 1875110010 PAQYZWFUQPGIMX-KPKJPENVSA-N 447.325 5.458 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)COc3c(C)ccc(C)c3C)cc2)c1 1875137740 BSCCJBBNZIZZBR-NTCAYCPXSA-N 428.528 6.109 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3)c(OC)c2)cc1 1875139239 ZAGIUEGMTLYLAX-CXUHLZMHSA-N 444.527 5.918 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(OC)c1OC(=O)c1cccnc1 1875154185 SIHZCEIWHUILGZ-OUKQBFOZSA-N 439.467 5.367 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C)cc(C)c3OC)cc2)c1 1875169946 VMJRBXRPAQIIJY-DHZHZOJOSA-N 446.499 5.445 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)c1cnc(C)cn1 1875176102 WQPGQWHMIUKDKV-SOFGYWHQSA-N 436.895 5.179 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)c1cnc(C)cn1 1875185959 XNVIZBYUEYTTKA-DHZHZOJOSA-N 444.531 5.515 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C)NCCC 1922095074 QHTAULGOUJKZQP-GOTSBHOMSA-N 428.617 5.307 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1982204768 JLJXADBUVCDDQE-OYHNWAKOSA-N 435.952 5.279 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@H]1N(C(=O)OC(C)(C)C)CCC12CCCC2 2009265329 KHAHLCGVAXEXCI-XZOQPEGZSA-N 428.617 5.307 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2031496803 IIUGECOZGVMMRJ-DVECYGJZSA-N 447.551 5.687 30 10 IKEE Cc1sc(C)c([C@@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)c1Br 2032030149 DGKXNHLIHDPQGU-CQSZACIVSA-N 441.416 6.191 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)NCC 2039331961 HEXIAFOSBBACPK-LOSJGSFVSA-N 438.612 5.264 30 10 IKEE CC(C)CN(Cc1ccccc1)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(F)(F)F 2052617065 YIKKWWQGJYRYOA-UHFFFAOYSA-N 433.323 5.667 30 10 IKEE CC1(c2nn([C@H](c3ccc(C(F)(F)F)cc3)C3CCC3)c(Br)c2C#N)CC1 2079884199 IDTCQTGUBPEKBQ-INIZCTEOSA-N 438.291 5.977 30 10 IKEE Cc1cc(O)c([C@@H](n2nc(C(F)(F)F)c(C=NO)c2Br)C(C)(C)C)cc1C 2080035518 RTWFLENZOPXPNG-OAHLLOKOSA-N 448.283 5.430 30 10 IKEE COc1ccc([C@H](n2nc(C(C)(C)C)c(C=NO)c2Br)C(C)(C)C)cc1F 2080117591 HOULHPDOOZLOGH-KRWDZBQOSA-N 440.357 5.534 30 10 IKEE N#Cc1c(C2CCCCC2)nn2c(Cl)cc(-c3ccc(C(F)(F)F)cc3Cl)nc12 2081165392 OVMMWZBBROVFFM-UHFFFAOYSA-N 439.268 6.641 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(Br)ccc(Cl)c1F 2098957528 YRPMFTFQSNRZFH-RHSMWYFYSA-N 449.792 5.752 30 10 IKEE CN(C(=O)OC(C)(C)C)[C@H]1CC[C@@H](Nc2ccc(C#N)c(Br)c2F)CC1 2106028186 NHUALMGWJSOPQG-OKILXGFUSA-N 426.330 5.050 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1cnc(C2CC2)s1 2116334121 UDHPMBBJLKSPIW-OAHLLOKOSA-N 434.359 5.789 30 10 IKEE N#Cc1ccc(NC2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)c(F)c1Br 2145456040 MQCWNDOGHYJNQC-YQQQUEKLSA-N 428.349 5.457 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(C#N)c(Br)c2)C[C@H]1C1CCC1 2194111597 LHUXPKYBWSKITI-MJGOQNOKSA-N 434.378 5.301 30 10 IKEE CCCCCCC[C@@H](N)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229115237 FFBXZBSRLWYEFU-RTBURBONSA-N 427.427 5.573 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1sc(C)c(C)c1Br 2229303044 AAINOLHXMAHDFQ-NVXWUHKLSA-N 445.467 6.028 30 10 IKEE CC(C)n1nc(Br)cc1C(=O)C=Cc1ccc(NC(=O)OC(C)(C)C)cc1 2232444718 WUDKHDKLXYEZBH-UHFFFAOYSA-N 434.334 5.470 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CCCCCCCCCNC(=O)OC(C)(C)C)NC 2248829133 VHYGRAAYVWWYKG-XMMPIXPASA-N 432.649 5.993 30 10 IKEE CCCN[C@@H](CC#CC1CCCC1)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2261099660 GHBPBTWMLHJWCN-DQEYMECFSA-N 442.644 5.439 30 10 IKEE C=CCCCCC[C@H](OCC(=O)O)c1scc(Br)c1Br 2291453785 SUCRKTUQDFBUEU-NSHDSACASA-N 426.170 5.552 30 10 IKEE Cc1cccc(-n2cc(C=NNC(=S)Nc3ccc(F)cc3)c(-c3cccs3)n2)c1 2296404929 DCXXZQGULBJVGB-UHFFFAOYSA-N 435.553 5.369 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1c(Cl)cccc1Cl)C2=O)c1ccc(Cl)cc1 2296867321 IJVLLSIISYVHLN-UHFFFAOYSA-N 445.685 6.482 30 10 IKEE C=CCOc1ccc(C=C2N=C(c3cc(F)c(F)cc3Cl)OC2=O)c(OCC=C)c1 2297455738 LCNDWZKLFJMSFO-UHFFFAOYSA-N 431.822 5.092 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2313012434 FDVJHXYMFULBNR-QSWVLOPZSA-N 441.572 5.404 30 10 IKEE CC[C@@H](C(=O)Nc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1)c1ccccc1 2313944570 ZPJGJHMCIRXURS-HSZRJFAPSA-N 448.360 6.478 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(C(=O)C=Cc2ccc(Cl)cc2Cl)cc1 2314430086 VXRVCHYXGLPFPJ-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE Cc1occc1C(=O)Nc1cccc(C(=O)C=Cc2ccc(-c3ccc(Cl)cc3)o2)c1 2314522931 CWNYCHQKAFJQRG-UHFFFAOYSA-N 431.875 6.650 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1cc(Cl)cc(Br)c1F 2315466215 TZPNKHLTMBKBHC-ZBFHGGJFSA-N 435.765 5.362 30 10 IKEE Clc1ccccc1CSc1nnc(C2CC2)n1N=Cc1c(Cl)cccc1Cl 2320858330 HGVYAVCFKVKNNS-UHFFFAOYSA-N 437.783 6.290 30 10 IKEE Cc1nnc(SCCc2ccccc2)n1N=Cc1cccc(OCc2ccccc2)c1 2321155279 KBBVBYMXJUOCGN-UHFFFAOYSA-N 428.561 5.383 30 10 IKEE Cc1ccc(CCN2COc3ccc4c(c3C2)OC(=Cc2ccc(C(C)C)cc2)C4=O)cc1 2322218173 HJTWQENMUDOFAW-UHFFFAOYSA-N 439.555 6.129 30 10 IKEE Cc1cccc(CN2COc3c(cc4c(c3C)OC(=Cc3cccc([N+](=O)[O-])c3)C4=O)C2)c1 2322432504 RYLGWVNIBMRBFE-UHFFFAOYSA-N 442.471 5.180 30 10 IKEE CCc1ccccc1NC(=O)COc1c(C=CC(=O)c2cccc(Cl)c2)cccc1OC 2322528032 AAAHIWDJRMVNAT-UHFFFAOYSA-N 449.934 5.825 30 10 IKEE COc1cccc2cc(C(=O)Oc3ccc4c(c3)OC(=Cc3cccc(C)c3)C4=O)oc12 2322860095 IVBVXPWGHSHHPG-UHFFFAOYSA-N 426.424 5.585 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1OCC(=O)Nc1cccc(C)c1 2323106056 UYDSUJOQMJRFKT-UHFFFAOYSA-N 437.442 5.195 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OCC(=O)Nc1ccccc1 2323302368 VODRGOUHGJENFW-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(Cl)cc2)C3=O)cc1[N+](=O)[O-] 2323332178 DTNRWNYYNRXSFX-UHFFFAOYSA-N 449.846 5.700 30 10 IKEE Cc1c(OC(=O)C=Cc2cccs2)ccc2c1OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2323530618 QZYDSBLMOXIKDM-UHFFFAOYSA-N 444.552 6.589 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OCc3ccc(C)cc3)c(OC)c2)cc1C 2323561179 MBUKDHQOBCOLOX-UHFFFAOYSA-N 432.516 5.804 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OC(=O)c3cc(Cl)ccc3Cl)cc(C)c2C1=O 2323585057 AIEGBKHIBUIGEF-UHFFFAOYSA-N 445.323 6.507 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)cc2)cc(OC)c1OCc1ccc(F)cc1 2323647763 QCQCZZMPSYWVLO-UHFFFAOYSA-N 432.491 6.047 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OC(=O)c4cccc(OC(C)C)c4)c3C)C2=O)c1 2323812630 MRYGEOXSEIGXIR-UHFFFAOYSA-N 428.484 5.926 30 10 IKEE CCN(Cc1ccccc1)c1ccc(C=NNc2nc(-c3ccc(Cl)cc3)cs2)cc1 2323840744 RETYPPVIGFVGSO-UHFFFAOYSA-N 447.007 6.936 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2323886563 HTZSJMAYKPCHIY-UHFFFAOYSA-N 448.858 5.491 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 2323896162 SJNJNZVYKLIQPP-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OCc1cccc(C)c1 2324058745 BGNWQLFEVMIFLA-UHFFFAOYSA-N 444.571 6.785 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(OC)c1OCc1ccc(F)cc1 2324156467 PSDAFJMYEFOCLS-UHFFFAOYSA-N 434.507 6.441 30 10 IKEE CCCCN(CCO)Cc1c(O)cc(C)c2c1OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2324184659 FKBZUQFTMACETJ-UHFFFAOYSA-N 437.580 5.209 30 10 IKEE COc1ccc(OC)c(C=CC(=O)[C@@H](C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)c1 2324787974 NWOQHVLFWDHZOB-HXUWFJFHSA-N 432.545 5.642 30 10 IKEE CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1 2325424603 GBXMROARRZJHAN-INIZCTEOSA-N 445.446 5.051 30 10 IKEE CCCCOc1ccc(C=Nn2c(CCCC)nnc2SCc2ccc(F)cc2)cc1 2325512625 RIQGJRKHKQSIOA-UHFFFAOYSA-N 440.588 6.113 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccc(Cl)cc4)c3C)C2=O)cc1 2325513665 AWSRCAGKPGKAIK-UHFFFAOYSA-N 447.918 5.845 30 10 IKEE COc1cccc(COc2ccc3c(c2C)OC(=Cc2cc(OC)ccc2OC)C3=O)c1 2325699139 UMZNLLPWZDSYRH-UHFFFAOYSA-N 432.472 5.216 30 10 IKEE CCOc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1 2325705195 PTGYCXQQRSFYPN-UHFFFAOYSA-N 447.462 5.167 30 10 IKEE N#Cc1cccc(C(=O)OC2CCC(NC(=O)C=Cc3ccc(Cl)cc3Cl)CC2)c1 2325766133 ZGROICPEYUAVKU-UHFFFAOYSA-N 443.330 5.163 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)c2c(F)cccc2Cl)c1 2325783171 SBIGYAJDFYIMQD-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE CCCSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1ccccc1F 2326341737 UTWWRIGOBNNWPE-UHFFFAOYSA-N 426.561 5.376 30 10 IKEE C=C(C)CSc1nnc(COc2cc(F)ccc2F)n1N=Cc1c[nH]c2ccccc12 2327460024 GQPSBNLJNYTJQI-UHFFFAOYSA-N 439.491 5.167 30 10 IKEE CCCOc1cccc(C=Nn2c(COc3ccc(Cl)cc3)nnc2SCCC)c1 2327571095 HZDFFDVJWJMNOY-UHFFFAOYSA-N 444.988 5.684 30 10 IKEE C=CCSc1nnc(COc2ccccc2Cl)n1N=Cc1ccc(C(C)C)cc1 2327674356 CNDOUEJBCOBQSD-UHFFFAOYSA-N 426.973 5.794 30 10 IKEE CCCSc1nnc(COc2ccccc2Cl)n1N=Cc1ccc(C(C)C)cc1 2327678985 DQGTXNVOYJYPQO-UHFFFAOYSA-N 428.989 6.018 30 10 IKEE Fc1ccc(CSc2nnc(Cc3cccs3)n2N=Cc2ccccc2F)cc1 2330342519 LFSWEXJBKHSMLD-UHFFFAOYSA-N 426.517 5.383 30 10 IKEE COc1cccc(C=Nn2c(Cc3cccs3)nnc2SCCc2ccccc2)c1 2330398590 SWRHXJDMGPRHNB-UHFFFAOYSA-N 434.590 5.156 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)C(C)C)c(OCC)c2)cc1 2330839736 VYTBCFCCZKCJOY-UHFFFAOYSA-N 428.956 6.539 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2[C@H]2CCCO2)cc1 2330888663 DLIRJBYWVAHUGK-JOCHJYFZSA-N 436.581 5.401 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)cc(Cl)c1OC(=O)c1ccco1 2330971026 KOKLWAPXEPWEPP-UHFFFAOYSA-N 426.852 5.456 30 10 IKEE Oc1cccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2[C@@H]2CCCO2)c1 2331002337 HDUPBMFPQCXVCC-SFHVURJKSA-N 449.363 5.317 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc3ccccc23)c(Cl)c1)c1ccc(Cl)cc1 2331142796 RDTYPWGYMDHNJB-UHFFFAOYSA-N 447.317 7.262 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)c1c(OC)cccc1OC 2331179178 QFIIGUWLVMJYPN-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE O=C(O)c1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2-c2ccco2)cc1 2331225439 VHKUNEFZOYCHQX-UHFFFAOYSA-N 438.896 5.064 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccco2)c(Br)c1 2331360334 WWKFNGQTRRHZSJ-UHFFFAOYSA-N 441.277 5.474 30 10 IKEE CC(C)Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1c[nH]c2ccccc12 2331443676 GTWFRHJUSUCZMO-UHFFFAOYSA-N 434.525 5.041 30 10 IKEE CC(C)Cc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(O)c(O)c1 2331467355 HHNDLEIRUJRIQR-UHFFFAOYSA-N 432.549 5.216 30 10 IKEE COc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OC(=O)Cc1ccc(F)cc1 2331484993 IHRSEHPTROFIQM-UHFFFAOYSA-N 440.470 6.032 30 10 IKEE Cc1ccccc1CSc1nnc(C2CCC2)n1N=Cc1ccc(Br)cc1 2331492904 ZIKFCUAZSWLNSG-UHFFFAOYSA-N 441.398 5.791 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CCC2)cc1 2331540037 WYSNFXHHVYESMU-UHFFFAOYSA-N 441.000 6.162 30 10 IKEE COCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc(Cl)cc1 2331612093 DDEDMIHXXQUSDB-UHFFFAOYSA-N 441.771 5.559 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CC3CCCCC3)c(OC)c2)c(OC)c1 2331729260 VJJJXAZDELZISE-UHFFFAOYSA-N 438.520 5.484 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3F)c(Cl)c2)c(C)c1 2331768459 GJIXIUVHWBIRQO-UHFFFAOYSA-N 436.910 6.449 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(Cl)c2)ccc1OC(=O)CC(C)(C)C 2331834795 ZCMMGONBJXKMKL-UHFFFAOYSA-N 430.928 5.985 30 10 IKEE CC#CCN(C[C@H](NCCC)c1c(F)cc(F)cc1Br)C(=O)OC(C)(C)C 2363129604 HAFFVXLNYQMXDY-KRWDZBQOSA-N 445.348 5.028 30 10 IKEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c(OC)ccc3ccccc13)N2 14544229 XRCGKSRTXIDTJE-ISJBWFOZSA-N 446.572 5.139 30 10 IKEE CC(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2C32CCCCC2)cc1 17094542 NDGNIDFAZRZMQA-OAQYLSRUSA-N 425.576 6.645 30 10 IKEE Cc1ccc(CSc2nc3c(c(=O)[nH]2)[C@@H](C(C)C)C2=C(CC(C)(C)CC2=O)N3)c(C)c1 20134470 YJBDEUABQBLSAD-IBGZPJMESA-N 437.609 5.487 30 10 IKEE O=C(/C=C/c1ccccc1)Oc1ccccc1/C=C\C(=O)c1ccc(-c2ccccc2)cc1 34954129 JBCIHAWZXBNLHL-WSCIHEKCSA-N 430.503 6.869 30 10 IKEE C=CCC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)CC(C)C 36308073 KDLZVUWTZHCMOD-QHCPKHFHSA-N 433.596 5.665 30 10 IKEE CC(C)c1ccc(/C=C2\S/C(=N/c3cccc(C(=O)O)c3)N(c3ccccc3)C2=O)cc1 39866749 IGMPMGLOQJJAEB-LXIZZWGISA-N 442.540 6.317 30 10 IKEE Cc1cc(OC(=O)c2ccc(F)cc2)cc2c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O2 41292118 CGYCWBISIXWTAJ-UCQKPKSFSA-N 430.475 6.267 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCc4c(F)c(F)c(F)c(F)c4F)c3C)C2=O)o1 41436026 PJWYKAWKPGRWDU-CHHVJCJISA-N 436.332 5.787 30 10 IKEE CC(=O)/C(=N/Nc1ccccc1Cl)Sc1ncc(-c2ccccc2)n1-c1ccccc1 59121441 XLXVNBXHOUULEB-NFFVHWSESA-N 446.963 6.299 30 10 IKEE COc1ccccc1CSc1nnc(N/N=C/c2c3ccccc3cc3ccccc23)[nH]1 59310067 DZXJESDCXFTZTG-CVKSISIWSA-N 439.544 5.858 30 10 IKEE COc1cccc(-c2nnc(S[C@@H](C#N)Cc3ccc(C)cc3)n2-c2ccccc2)c1 60706058 MXSGRKRYMZATOM-HSZRJFAPSA-N 426.545 5.478 30 10 IKEE CCCCCCCOc1cccc(NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)c1 100246305 ATFCOOKIMDIREC-JOCHJYFZSA-N 431.576 7.109 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(N2CCCCC2)c1[N+](=O)[O-] 101468842 VARAFEQQMCHVHK-UHFFFAOYSA-N 447.668 7.268 30 10 IKEE CCCCCCCCCn1c(CCNC(=O)c2ccccc2Cl)nc2ccccc21 102138460 RYIGIBORTXTTRT-UHFFFAOYSA-N 426.004 6.413 30 10 IKEE CCCCCCCCCCn1c(CCCNC(=O)CCc2ccccc2)nc2ccccc21 102158305 FDJVWCYTDVTMOT-UHFFFAOYSA-N 447.667 6.859 30 10 IKEE CCOc1cc(/C=C2\Oc3ccc(Cl)cc3C2=O)ccc1OC(=O)c1ccc(C)cc1 102394813 MIGDXTJBNUGXQI-QRVIBDJDSA-N 434.875 5.883 30 10 IKEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1 102520864 IGKKIKNXSKMWIB-RKKARLDVSA-N 446.572 5.818 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)/C(=C(\O)c4ccco4)[C@@H]3c3ccccc3)sc2c1 102739982 ODMCDKCDPHGAPK-LCPUNJGISA-N 430.485 5.078 30 10 IKEE COc1cc(/C=N/Nc2ccc(C(=O)O)cn2)ccc1OCc1ccc(C(C)(C)C)cc1 169877918 MIDRSDQQHMTCEI-MZJWZYIUSA-N 433.508 5.111 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccc(C)c(C)c2)cc1 169924144 UMKXUNNTWGMDJE-RUZDIDTESA-N 441.527 5.712 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccccc2C)cc1 169926473 WSGPDIRVEWZMPE-XMMPIXPASA-N 427.500 5.403 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2ccccc2C)c1 169936748 OWCBLMDRVGFDSN-XMMPIXPASA-N 438.483 5.268 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@H]1c1ccc(N(C)C)cc1 169954296 CYDLIJAWLAARBL-AREMUKBSSA-N 440.543 5.163 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2cccc(C)c2)cc1 169969806 DTUNUZNTZVVXHT-QHCPKHFHSA-N 447.918 5.830 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@H]2c2ccncc2)ccc1F 170021689 JKOIAYFWDPWACB-NRFANRHFSA-N 436.870 5.274 30 10 IKEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccccc2)cc1 170047924 BZLQRUXYSPIIRM-AREMUKBSSA-N 448.522 5.689 30 10 IKEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccccc2)cc1 170048041 ZIISSJQXNCHWGZ-AREMUKBSSA-N 448.522 5.689 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 170059449 ZRTHHOLGVILPMD-HXUWFJFHSA-N 439.298 5.167 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1ccc(F)cc1)c1c[nH]c2ccccc12 170063799 XQNYAYXTYCGDLJ-QFIPXVFZSA-N 448.400 5.368 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)[C@H]1c1ccco1 170095185 LAKSCAVGCMDWBP-IBGZPJMESA-N 443.377 5.090 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C)o1 170100351 UFHUTSKLTUMYCS-NRFANRHFSA-N 437.879 5.029 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccs1 170161607 HTQPWNWGJHNOFW-QHCPKHFHSA-N 425.509 5.993 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccs1)c1ccc(Cl)c(Cl)c1 170162497 VXXWPTGOJDIQLR-QGZVFWFLSA-N 434.300 5.426 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccccn1)c1cccc2ccccc12 170169469 GRTSOMWJOBETSB-QHCPKHFHSA-N 442.421 5.296 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2ccccc2)c1 170225622 LRLPPLYDYOAEIX-DEOSSOPVSA-N 425.484 5.021 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2OCC)[C@H]1c1ccc(Cl)cc1 170236373 ZRBAQHPELSQHJC-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccccc2F)cc1 170248893 AHIAWJFGVPAIGY-QHCPKHFHSA-N 447.462 5.101 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1c[nH]c2ccccc12 170255904 LBUBNHYYNNWCBO-QHCPKHFHSA-N 427.504 5.418 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@@H]1c1ccc(CC)cc1 170267588 AWUUNPAVSOEQJD-NRFANRHFSA-N 427.928 5.289 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccco1 170284308 QGYHUVTUMZGWMI-QHCPKHFHSA-N 443.886 6.178 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)cc1 170422020 KYTNKSBJFLHXBO-HSZRJFAPSA-N 449.909 5.609 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)cc(C)c2)ccc1OC 170439572 PMHRSKMOMBGUEG-HSZRJFAPSA-N 447.487 5.087 30 10 IKEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 170470698 OGRIZAWWSBUTSW-QHCPKHFHSA-N 449.591 5.546 30 10 IKEE Cc1cccc(C)c1NC(=S)NN=C1C[C@H]([C@@H](C)c2cccnc2)Oc2ccc(O)cc21 254439036 KHZHNLYHGABBRR-GAJHUEQPSA-N 446.576 5.050 30 10 IKEE COc1ccc(C=Nc2ccc(Cc3ccc(N=Cc4ccc(OC)cc4)cc3)cc2)cc1 254818315 GCIPNLHNEJQENX-UHFFFAOYSA-N 434.539 6.796 30 10 IKEE C=CCOc1ccccc1CNc1cc(I)ccc1Br 394254304 FYTYYPILXJYEIQ-UHFFFAOYSA-N 444.110 5.231 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2c[nH]c3ccccc23)c1 526517248 UOALWVREIMBZTR-AREMUKBSSA-N 449.510 5.886 30 10 IKEE CCOc1cc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)ccc1O 526709347 UGAYGUQPOHYFFW-QFIPXVFZSA-N 449.890 5.227 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Cl)cc2C)cc1 526710739 SPKSPAXFLVLWPE-QHCPKHFHSA-N 447.918 5.830 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1ccc(OC(C)C)cc1 526819273 QSTDJUBSHPEZOY-QQXSKIMKSA-N 436.625 6.199 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1ccc(C)c(Br)c1 698475980 CFVAVOQZOPGCII-GOSISDBHSA-N 431.330 5.773 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@H](C#N)c1cc(Br)c(Cl)s1 698959727 AOPRNPUHRKHSAX-SNVBAGLBSA-N 434.747 5.666 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Cl)c1Br)NCC 719502755 IUYWARLALXVSQO-CVEARBPZSA-N 431.802 5.093 30 10 IKEE C=C1CCC(C[C@@H](NCC)c2cc(Br)cc(NC(=O)OC(C)(C)C)c2)CC1 724618461 WHZYFKCLNMYLNK-HXUWFJFHSA-N 437.422 6.583 30 10 IKEE CC1=C2C=C(c3ccccc3)C=C(c3ccccc3)N2/C(=C/c2ccc(N(C)C)cc2)C1=O 1078381651 KLKXEGBSPKPQNB-RDRPBHBLSA-N 430.551 6.391 30 10 IKEE C=CCn1c(SCC(=O)OC/C=C\c2ccccc2)nnc1-c1cccc(Cl)c1 1084461334 AFSOXYBUDZUQHE-YFHOEESVSA-N 425.941 5.133 30 10 IKEE N#CC1(NC(=O)CSc2nnc(-c3ccc(F)cc3)c3ccccc23)CCCCCC1 1087873404 GDKNXUUCTKORST-UHFFFAOYSA-N 434.540 5.261 30 10 IKEE COc1ccc(-c2ccccc2)cc1N/C(=N/Cc1ccc(CN)cc1)N1CCCC[C@@H]1C 1088684151 CGPURQLLLAVWDR-NRFANRHFSA-N 442.607 5.663 30 10 IKEE CCCCOc1ccc(/C=C2/S/C(=N/c3cccc(O)c3)N(CC)C2=O)cc1OC 1614237226 ZQHSWCXRRWVJPO-IZSQXYTLSA-N 426.538 5.204 30 10 IKEE C=CCCCCCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CC[C@H](C)C1 1760419230 LTTWLUWPMJQVBJ-RBUKOAKNSA-N 434.588 5.213 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(O)c(OC)c2)SC1=Nc1nc(-c2ccccc2)cs1 1772737109 LYAIYUYYFFJTBY-PNVGRYOSSA-N 437.546 5.148 30 10 IKEE O=C1/C(=C\c2ccccc2O)SC(=NN=Cc2ccc(Cl)cc2)N1Cc1ccco1 1772758449 VRFLYLWZSNUSMA-JQTCHMLUSA-N 437.908 5.145 30 10 IKEE COc1cccc(-n2cc(/C=N\NC(=S)Nc3ccc(F)cc3)c(-c3ccccc3)n2)c1 1857808906 LWEOASAJEYXCTA-YSMPRRRNSA-N 445.523 5.008 30 10 IKEE CCc1ccc(CCC(=O)N(CCCOC)[C@@H](C#N)c2cccc(Br)c2)cc1 1857958741 ZSTFVZARXUOIGA-QFIPXVFZSA-N 443.385 5.074 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2cccc(NC(=O)c3cccc(C#N)c3)c2)cc1Cl 1860132837 IUZLSJHYNOLSJP-INIZCTEOSA-N 433.895 5.178 30 10 IKEE CCCCCCCCNC(=O)[C@H](NC(=O)c1ccc2nc(CC)[nH]c2c1)c1ccccc1 1860960014 CFYSTNYUPDEMDR-XMMPIXPASA-N 434.584 5.073 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccccc2)cc1 1862387099 CXABHHXNRUJKKI-SANMLTNESA-N 439.555 5.850 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@H]1c1ccc(O)cc1 1862389387 DZXSBZAVFGPEJQ-XMMPIXPASA-N 435.564 5.893 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccccc2F)cc1C 1862402322 WQBJFBWJACOCOU-NQKDMWHGSA-N 437.511 5.300 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C(C)C)cc1 1862438923 GTEBKIFHUHUWMP-OAQYLSRUSA-N 426.944 5.173 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc(Br)c1 1862439013 HCFAIDMLBVPRBK-GOSISDBHSA-N 448.744 5.337 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCc2cccs2)c1 1862488989 MOCMKAVCQGGRSK-QHCPKHFHSA-N 447.556 5.195 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccccc2C)cc1 1862489419 BGYHRLDUIVUKHZ-SANMLTNESA-N 439.555 5.741 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)c1 1862498241 CTQKJUOQQGJNKV-OAQYLSRUSA-N 446.374 6.235 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1cccc(C)c1 1862523766 OVEPPFPTIWPPLJ-FQEVSTJZSA-N 442.353 5.526 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccccc2C)cc1OC 1862576659 YXVJIVSSQLSOIU-PWAGRJGVSA-N 449.547 5.169 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCCC)cc1 1862600825 ZTLNOYHCLJJIRL-QHCPKHFHSA-N 437.536 5.340 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2cccc(O)c2)cc1 1862613622 LLPQHFPSKHZLNL-DEOSSOPVSA-N 441.527 5.468 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2cccc(F)c2)cc1F 1862637280 DVGRMYNVXYTFJM-NPMXOYFQSA-N 449.453 5.313 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C2CCCCCC2)c1 1862648491 CNFKNIPAELOGTR-SANMLTNESA-N 439.555 6.449 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccc(F)cc2)cc1 1862662107 HNDSEURZKLAQET-BVZFJXPGSA-N 443.518 6.289 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862676925 UUOKMDQFLFTZSE-QHCPKHFHSA-N 449.453 5.142 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1c(Cl)cccc1Cl 1862682283 HYQXTWJILPXZKY-LJQANCHMSA-N 436.310 5.757 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc3ccccc23)c1 1862705125 QPSAHQLAFGWKSV-XMMPIXPASA-N 427.500 5.369 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(F)cc1 1862724603 PUSWZZCEINEZRU-XMMPIXPASA-N 429.491 5.871 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2OC)=C(c2ccccc2OC)C1=O 1863427664 YUDHEKXKMNGEPO-UHFFFAOYSA-N 436.552 5.256 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(F)c2)=C(c2ccccc2Cl)C1=O 1863436690 HNLIFEJDKGMCPC-UHFFFAOYSA-N 428.935 6.032 30 10 IKEE CCCCCCCCN1C(=O)C(NC2CCCC2)=C(c2ccc(Br)cc2)C1=O 1863558988 OUTDKZDNILYGLB-UHFFFAOYSA-N 447.417 5.422 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccco2)=C(c2ccc(OC(C)C)cc2)C1=O 1863696413 KESGGSVTHWXUFO-UHFFFAOYSA-N 438.568 5.297 30 10 IKEE CCc1nc(Nc2ccccc2C#N)cc(N2CCC(c3nc4c(s3)CCCC4)CC2)n1 1868286300 DXZXGVBXUITOCU-UHFFFAOYSA-N 444.608 5.374 30 10 IKEE CCc1nc(Nc2ccccc2C#N)cc(N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)n1 1868286318 FJWINZRWWACBEI-HSZRJFAPSA-N 425.580 6.293 30 10 IKEE CN1CCN(c2cc(Nc3cccc(C#N)c3)nc(-c3ccccc3)n2)C[C@@H]1c1ccccc1 1868354839 PAQZBSMCCZBHRK-RUZDIDTESA-N 446.558 5.252 30 10 IKEE CCCc1nc(Nc2ccc(C#N)cc2)cc(N(Cc2cccnc2)c2cccc(C)c2)n1 1868400992 LHCYPKGFLGOYBZ-UHFFFAOYSA-N 434.547 6.086 30 10 IKEE CC(C)(C)CN1CCN(c2cc(Nc3cccc(C#N)c3)nc(-c3ccc(F)cc3)n2)CC1 1868445326 OEVLVGLEFXCLBB-UHFFFAOYSA-N 444.558 5.066 30 10 IKEE CCCCCCCOc1cn(CCCOC(C)C)c(CSc2nccn2C)cc1=O 1870251648 OWBZPIJJIZOYOU-UHFFFAOYSA-N 435.634 5.038 30 10 IKEE CCCCCCCOc1cn(CCCOCC)c(CSc2ccc(C)cc2)cc1=O 1870252344 OMRAOWDMIPOPKP-UHFFFAOYSA-N 431.642 6.225 30 10 IKEE CCCCCCCCn1cc(OCC)c(=O)cc1CNc1ccc(N(CC)CC)cc1C 1870788877 ZPIUMDJEGFSRRR-UHFFFAOYSA-N 441.660 6.374 30 10 IKEE C=CCOc1cn(Cc2ccccc2C)c(CNc2ccc(N(CC)CC)cc2)cc1=O 1870809457 DEXFCDUXEYVSMY-UHFFFAOYSA-N 431.580 5.228 30 10 IKEE C=CCOc1cn(CCC2=CCCCC2)c(CNc2ccc(N(CC)CC)cc2)cc1=O 1870813398 JKJOFSQHNKNLRY-UHFFFAOYSA-N 435.612 5.762 30 10 IKEE CCCCCCCOc1cn(CCCn2ccnc2)c(CNc2ccc(F)cc2)cc1=O 1870839225 BGZPNAQOKOFCJH-UHFFFAOYSA-N 440.563 5.236 30 10 IKEE C=CCn1cc(OCc2ccc(C(C)C)cc2)c(=O)cc1CNc1ccc(C(C)C)cc1 1870896992 BSELMDUCCZNRNQ-UHFFFAOYSA-N 430.592 6.472 30 10 IKEE CCCCCCCCCCn1cc(OC)c(=O)cc1CNc1cc(OC)cc(OC)c1 1870999329 CVDSAXOVJSCOFZ-UHFFFAOYSA-N 430.589 5.627 30 10 IKEE C#CCOc1cn(CCCCc2ccccc2)c(CNc2ccc(C)c(Cl)c2)cc1=O 1871007085 LFAMNDOUIPSSTF-UHFFFAOYSA-N 434.967 5.457 30 10 IKEE C=CCn1cc(OCCOc2ccc(C(C)(C)C)cc2)c(=O)cc1CNc1cccc(C)c1 1871039621 JDKARVBBIFELAA-UHFFFAOYSA-N 446.591 5.710 30 10 IKEE C=CCn1cc(OCc2c(Cl)cccc2Cl)c(=O)cc1CNc1ccc(C)cc1 1871049969 ZQSYLMGCWRCXJH-UHFFFAOYSA-N 429.347 5.841 30 10 IKEE C=CCn1cc(OCCOc2cccc(C)c2)c(=O)cc1CNc1ccc(F)c(Cl)c1 1871209452 GYZMEMFGAUEGRX-UHFFFAOYSA-N 442.918 5.205 30 10 IKEE CCCCCCCCN=c1nc2c(cnn2C)c(Nc2cccc(Br)c2)[nH]1 1871295183 JXVHLLZYVZPROL-UHFFFAOYSA-N 431.382 5.064 30 10 IKEE CCCCCCCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OCC)cc1 1871314118 VUAQGYJKSVYHTO-UHFFFAOYSA-N 442.607 7.259 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc4c3CN(C3CCCCCCCCCCC3)CO4)C2=O)o1 1871351247 RCKBGGIETAUZQI-ONUIUJJFSA-N 449.591 7.029 30 10 IKEE CCc1ccc([C@@H](C)N2COc3c(cc4c(c3C)O/C(=C\c3sccc3C)C4=O)C2)cc1 1871359961 MKMLQUXBJRWZSI-VLZFXTDASA-N 445.584 6.457 30 10 IKEE Cc1c(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cccc1[N+](=O)[O-] 1871372411 QBSMDTCLTIIBBD-CFRMEGHHSA-N 443.455 5.862 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(/C=C/C(=O)O)cc4)ccc3C2=O)cc1 1871381990 ISQDRFVJHFPCDR-DHLMYGRGSA-N 440.451 5.182 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871388231 ZNSACKSTFIBGNA-UCQKPKSFSA-N 434.875 5.964 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871389999 YSKCFGMUISKZAY-HAHDFKILSA-N 446.886 6.049 30 10 IKEE O=C(CCc1cccs1)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 1871392043 MQROECHOOHKRGJ-JAIQZWGSSA-N 445.323 6.209 30 10 IKEE Cc1cccc(OCCCCOc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)c1 1871404900 GPZHONRTPJKFAW-VEILYXNESA-N 442.555 6.973 30 10 IKEE CCCCCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1cn(C)c3ccccc13)C2=O 1871427147 QDPHBLJIXAVFRZ-QRVIBDJDSA-N 433.504 5.215 30 10 IKEE CCCCCCCCCOc1cc(C)c2c(c1)O/C(=C\c1ccc(OC)cc1OC)C2=O 1871429906 SZMFLXGGXJUBRO-XYGWBWBKSA-N 438.564 6.758 30 10 IKEE CCc1cccc(CC)c1NC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O 1871455793 WQRUKQWHDBSKGV-OYKKKHCWSA-N 445.490 5.584 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(Nc2ccccc2)cc1)S(=O)(=O)CCC 1872146477 OMQSAOKCFCNTOX-QHCPKHFHSA-N 443.613 5.155 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc2nc(-c3ccccc3OCCC)[nH]c2c1 1872739489 PRRFXKPSNWCJBU-UHFFFAOYSA-N 435.612 6.889 30 10 IKEE COc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3cc(C)ccc3OC)cs2)c(OC)c1 1872770919 IEBMWOKQNWMWON-QRBZPYHOSA-N 434.517 5.034 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)c3ccc(F)c(F)c3F)n2)cc1C(C)C 1872779353 HYUHOJMHIBFFND-INIZCTEOSA-N 444.478 6.158 30 10 IKEE N#C[C@@H](C(=O)COc1ccc(Cl)cc1)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872787142 CBMHPEFLOMPVKI-HNNXBMFYSA-N 437.735 6.026 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)COc3c(C)ccc(C)c3C)n2)cc1C 1872787520 LEXJESLVWNVUQD-FQEVSTJZSA-N 434.561 5.616 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccccc3Cl)n2)c2ccccc12 1872788337 HIVHBHABXNSECG-ZAHGZRRWSA-N 444.943 6.515 30 10 IKEE CCCCN(CCC)CC(=O)[C@H](C#N)c1nc(-c2ccc(OC)c(OC)c2)c(CC)s1 1872801199 YZLNUHLEYGNDGM-SFHVURJKSA-N 443.613 5.078 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cnn2-c1ccc(Br)cc1 1873467218 FJWMRKIPUFRHDV-UHFFFAOYSA-N 430.394 6.131 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccc(Cl)cc1 1874214521 QRIDFCWZRAUMNL-BUVRLJJBSA-N 449.407 5.981 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CCCOc3ccccc3C)nnc2SC)cc1 1874248164 MZVKDUQEQHHQNO-XIEYBQDHSA-N 438.597 5.381 30 10 IKEE C=CCSc1nnc(COc2c(C)cccc2C)n1/N=C/c1ccc(Cl)c(Cl)c1 1874300060 GLCOEUYBEHHOIL-WYMPLXKRSA-N 447.391 5.941 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccccc3Cl)n2/N=C/c2ccc(O)cc2)c1 1874365872 YSPFSIZSZAMEIK-VULFUBBASA-N 448.979 6.095 30 10 IKEE Fc1cccc(CSc2nnc(-c3ccccc3Cl)n2/N=C/c2cccs2)c1 1874366399 FYODKWKXLNPQJM-FSJBWODESA-N 428.945 5.974 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2ccc(F)cc2)cc1 1874417733 QVRMERLCZCTDOK-MFKUBSTISA-N 447.495 5.091 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccccc1O 1874440796 UEYRGAWLUXLQJK-WYMPLXKRSA-N 449.407 6.054 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SCCC)nnc2[C@H]2CCCO2)cc1OC 1874450065 SIHRDONKLFTVTJ-KMYAOZERSA-N 432.590 5.092 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCCc2ccccc2)nnc1C(F)(F)F 1874461620 XBVNWZWRLQROCU-MFKUBSTISA-N 432.471 5.079 30 10 IKEE CCCSc1nnc(C2CC2)n1/N=C/c1cccc(OC)c1OCc1cccc(C)c1 1874520956 TTYVOSDPGRMRLC-MFKUBSTISA-N 436.581 5.436 30 10 IKEE C=CCOc1c(/C=C/C(=O)c2ccc(OCCC)cc2)cc(Br)cc1OC 1874580086 XJENPNDHXKLATP-DHZHZOJOSA-N 431.326 5.707 30 10 IKEE COC(=O)c1ccc(COc2c(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cccc2OC)o1 1874583047 UCOGDNGBGWRZMT-RVDMUPIBSA-N 448.515 5.847 30 10 IKEE C=C(C)COc1ccc(Br)cc1/C=C/C(=O)c1cc(C(C)(C)C)ccc1OC 1874584503 RMIZNPMZDNEKTJ-JXMROGBWSA-N 443.381 6.606 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)c1 1874605771 FNSPRSZBLCQOIH-JXMROGBWSA-N 443.326 6.486 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1Cl 1874608802 IFLAKBIKAQEMBW-ZRDIBKRKSA-N 440.326 6.215 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Cl)c1OCc1ccc(F)cc1 1874611414 ICSAGCPSYHNTKN-RUDMXATFSA-N 432.825 6.241 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(OC)c(OCCC)c(OC)c2)cc1OCCC 1874612682 HIWLQSFSWHERSI-PKNBQFBNSA-N 442.552 5.966 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1cc(C)ccc1C 1874613374 QTWOMFODEWHSBX-IZZDOVSWSA-N 441.354 7.094 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(F)cc2)c([N+](=O)[O-])c1)c1cccc2ccccc12 1874622924 CJKIYVMKGHKDDR-GXDHUFHOSA-N 427.431 6.362 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3cccc(/C=C/C(=O)c4ccc(F)cc4F)c3)c(C)c2c1 1874699884 RHCZIZSCZRSNJQ-YRNVUSSQSA-N 431.438 6.178 30 10 IKEE CCc1ccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3cc(C)ccc3OC)c2)cc1 1874704195 BJMQBOURQGBUJT-FYWRMAATSA-N 428.528 6.000 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1OC(=O)c1ccc(C)c(C)c1 1874706006 KXPDXJXQWHZEIY-OVCLIPMQSA-N 442.555 6.725 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)c2)cc1 1874709858 LRYMQEKKUUJFLJ-YYULBTSQSA-N 444.958 7.069 30 10 IKEE Cc1cc(CC(=O)Oc2cccc(/C=C/C(=O)c3cc(C(C)(C)C)ccc3C)c2)ccc1F 1874715950 UMRCNWSGWKJSJS-SDNWHVSQSA-N 444.546 6.784 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C2CCCC2)c([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 1875078346 LIXOAYTVIJXGQH-MHWRWJLKSA-N 441.483 6.254 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(OC)c1OC(=O)c1ccccc1 1875115020 IMKOXRVLTYCCQC-LFIBNONCSA-N 428.484 5.548 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccccc1F 1875116020 HCYFQNHTOVPBSD-NTUHNPAUSA-N 435.407 5.248 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)c1cnccn1 1875124113 ANMYKBZQDFXKKH-VOTSOKGWSA-N 443.286 5.297 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)Cc3cccs3)c(Cl)c2)c1 1875145390 KBAUCCKDLXJLHD-VMPITWQZSA-N 442.920 5.463 30 10 IKEE COc1cc(C(=O)/C=C/c2ccc(OC(=O)CCCSC)cc2)c(OC)cc1Cl 1875173282 VXQBIODDHWUTRF-DHZHZOJOSA-N 434.941 5.302 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc4nc(C)c(C)nc4c3)cc2)cc1C 1875176060 UPSPMQSRAJCWOM-RIYZIHGNSA-N 436.511 5.979 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc([N+](=O)[O-])c1OC(=O)CC 1875180261 PTUNZOSLEGXAGQ-BQYQJAHWSA-N 447.871 5.175 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc(OC)c1OC(=O)C1CC1 1875181702 SZHZMFBPVIKYIU-JXMROGBWSA-N 440.923 5.606 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cc(Cl)c(OC(=O)CC(C)C)c(OC)c2)cc1C 1875186801 KSILLJSTGUFYNO-BQYQJAHWSA-N 430.928 5.822 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cc(OC)c(OC(=O)c3ccco3)c(OC)c2)cc1C 1875186893 MYYJTGYEJFFVNZ-CMDGGOBGSA-N 436.460 5.038 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[C@@H](C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1902327072 PIUGEBZSRRMVOG-KZNAEPCWSA-N 435.590 5.071 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC[C@H](CCC)CCNC(=O)OC(C)(C)C)NCC 1922107055 IZCZVXYIMIYEKS-UPVQGACJSA-N 432.649 5.849 30 10 IKEE CC[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)CN1Cc1ccccc1 1942589394 JKKAUXKYWLVXOK-BWKNWUBXSA-N 439.987 6.028 30 10 IKEE CC1(C)C[C@H]([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2)N(C(=O)OC(C)(C)C)C1 1945908249 OWITXFAKPCAJDN-RTBURBONSA-N 429.561 5.356 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@](C#N)(N(Cc1cccs1)C(=O)OC(C)(C)C)C2 1997335976 QYHSHMLEMFWICJ-DTVZVWBHSA-N 447.601 5.309 30 10 IKEE CC[C@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2014644560 JBHQRDWYMBBMHQ-NTKDMRAZSA-N 435.609 5.628 30 10 IKEE CCCCCCCCCC[C@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NC 2035468819 VOZHMKMFTWMSFD-RPBOFIJWSA-N 448.692 6.605 30 10 IKEE CC[C@@]1(Nc2cc(Br)ccc2C#N)CCCN(C(=O)OCc2ccccc2)C1 2043971403 OZHGSFMHXHKXIC-JOCHJYFZSA-N 442.357 5.314 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1ccc(Cl)c(Br)c1F 2045770831 AAMNVNGOWFMMOS-HXUWFJFHSA-N 426.757 6.055 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2070603599 VAZBMMVZYQJZDJ-XDHUDOTRSA-N 447.551 5.497 30 10 IKEE Cc1ccc([C@H](n2nc(C(F)(F)F)c(C#N)c2I)C(C)(C)C)cc1 2079041106 VOSOPJXTDRSOTQ-AWEZNQCLSA-N 447.242 5.322 30 10 IKEE CC(C)c1nn([C@H](c2ccc(C(F)(F)F)cc2)C(C)(C)C)c(Br)c1C#N 2079843386 GNUJAQITABEYJS-MRXNPFEDSA-N 428.296 6.295 30 10 IKEE CCCc1ccc([C@H](C2CC2)n2nc(C3(C)CC3)c(C#N)c2I)cc1 2079879733 IAXYOOQYZORPHF-GOSISDBHSA-N 445.348 5.363 30 10 IKEE CC(C)(C)[C@@H](c1ccc(C2CCC2)cc1)n1nc(C2CCC2)c(C=NO)c1Br 2079957404 OPZSRMOERSJQQM-OAQYLSRUSA-N 444.417 6.624 30 10 IKEE C=CCCCCCC[C@H](N)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2085839310 MTYZIDWDENQHAK-MHZLTWQESA-N 429.604 7.371 30 10 IKEE C=CCN(CC[C@H](NCC)c1c(Cl)ccc(Br)c1F)C(=O)OC(C)(C)C 2122139253 QXCFZXRLPOWZFH-HNNXBMFYSA-N 449.792 5.705 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCC[C@@]23C[C@@H](CO2)[C@H]31 2144302607 IGVNDXWENRCUHM-XWIOLROMSA-N 433.346 5.042 30 10 IKEE CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)Nc1ccccc1Br 2149844434 RUNMHIKZZKLWLD-IIBYNOLFSA-N 436.394 5.426 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1cccn2ccnc12 2151635937 JMMRHGNBJOTDPX-KRWDZBQOSA-N 427.302 5.103 30 10 IKEE CCCN(c1cc(Br)c(C#N)cc1F)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2174811629 ADBCSKAPMAUMRM-HNNXBMFYSA-N 440.357 5.076 30 10 IKEE C=CCC1([C@@H](NCCC)c2ccc(Br)c(F)c2)CN(C(=O)OC(C)(C)C)C1 2198205581 UGWQDZIDCRYILJ-SFHVURJKSA-N 441.385 5.442 30 10 IKEE C=CCCCCCCC[C@H](N)c1ccc(Br)cc1I 2227277597 ZJPPKFBOWZBYAM-INIZCTEOSA-N 436.175 5.970 30 10 IKEE C=C(CC)C[C@@H](NCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229125561 GUBMDZWFEDFBHJ-MOPGFXCFSA-N 425.411 5.219 30 10 IKEE CCC[C@@]1([C@H](O)C#Cc2ccccc2Br)CCCCN1C(=O)OC(C)(C)C 2235736221 WYRUNRYNSIFXJD-KNQAVFIVSA-N 436.390 5.121 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)C[C@H](CCC)NC(=O)OC(C)(C)C 2235746318 JFLOVWSFWJLKGE-MOPGFXCFSA-N 437.422 5.252 30 10 IKEE C#C[C@@H](NC(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCC1 2243905130 KNVSSBJDVFZXTF-RUZDIDTESA-N 444.575 5.002 30 10 IKEE C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2255807324 RSHZABLYIKIKFK-KRWDZBQOSA-N 437.370 5.044 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)CC1 2259685867 ZOGOWXMHVDNKGB-RUZDIDTESA-N 449.636 6.020 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2cc(Br)cc(C#N)c2)C[C@@H]1C(F)(F)F 2279309763 AVACKMXHPHTYFX-UKRRQHHQSA-N 448.283 5.063 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)c1ccc(C)c(Br)c1C 2291616168 PDHKVMTWLCXHQV-JOCHJYFZSA-N 433.342 5.371 30 10 IKEE C=Cc1ccc(COc2ccc3c(c2)OC(=Cc2cc(OC)c(OC)c(OC)c2)C3=O)cc1 2296867261 FPWWIQHWTKLTRM-UHFFFAOYSA-N 444.483 5.551 30 10 IKEE COc1ccccc1[C@@H]1C(=C(O)c2ccc(Cl)cc2)C(=O)C(=O)N1c1ccc(F)cc1 2297746826 HIBCPDDLSNBMJZ-OAQYLSRUSA-N 437.854 5.114 30 10 IKEE CC[C@@]1(C)N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 2300007831 QUZJUIQSIDGEOX-DHIUTWEWSA-N 449.617 5.557 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 2302571519 LHRCMIJOCUWRHV-WDYCEAGBSA-N 449.979 5.667 30 10 IKEE CCOc1ccc2c(c1)OC(=Cc1ccc(OC(=O)c3ccccc3F)c(OC)c1)C2=O 2314527480 VOEVDPABLIKSTB-UHFFFAOYSA-N 434.419 5.068 30 10 IKEE O=C1C(=Cc2cccs2)SC(=NN=Cc2ccc(Cl)cc2)N1Cc1ccco1 2314819084 RPMGJBOJZVEQRM-UHFFFAOYSA-N 427.938 5.501 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1cn(CC)c2ccccc12 2318571696 QDLFHVHJYPWAMD-UHFFFAOYSA-N 442.592 5.641 30 10 IKEE CCOc1cc(C=Nn2c(S)nnc2CCc2ccccc2Cl)ccc1OC(C)C 2322119878 XRAIHKYBYWCBJR-UHFFFAOYSA-N 444.988 5.074 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccco1)O3)CN([C@@H](C)c1ccc3c(c1)CCCC3)CO2 2322259143 AWVIAOZVKOPRCJ-SFHVURJKSA-N 441.527 5.996 30 10 IKEE CCc1ccc(NC(=O)COc2c(C=CC(=O)c3ccc(OC)cc3)cccc2OC)cc1 2322457361 LMEITMZGCUMQOT-UHFFFAOYSA-N 445.515 5.180 30 10 IKEE CCn1cc(C=C2Oc3cc(OC(=O)c4cccs4)cc(C)c3C2=O)c2ccccc21 2322667334 IFOMJJCKQGIIIU-UHFFFAOYSA-N 429.497 5.867 30 10 IKEE Cc1ccc(COc2ccc(Br)cc2C=CC(=O)c2ccc(F)cc2)cc1 2322747942 MAQFWGVCFGHIAY-UHFFFAOYSA-N 425.297 6.372 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1OCc1cccc(C)c1 2323149277 DJXFICIUXMYQJG-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CC[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C1 2323304295 GHRPPFUHKWKQQN-AOJNWGRGSA-N 442.600 5.088 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)cc(Cl)c1OCc1cccc(F)c1 2323472578 QXPQDCITBFUGIV-UHFFFAOYSA-N 438.926 6.915 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Cl)c(OCc3cccc(Cl)c3)c(OC)c2)c1 2323485701 UVUMYZXBCIQDPJ-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE CCCCCOc1ccc(C=Nn2c(S)nnc2-c2ccccc2OCC)cc1OC 2323520605 JCYWEMFXRFAHQH-UHFFFAOYSA-N 440.569 5.092 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1C 2323559869 QESQYOUPQZIXBK-FQEVSTJZSA-N 429.516 5.156 30 10 IKEE Cc1cc(OCCc2ccccc2)cc2c1C(=O)C(=Cc1ccc(-c3ccccc3)cc1)O2 2324283606 WSLAYWPDOLVYJY-UHFFFAOYSA-N 432.519 6.900 30 10 IKEE CCOc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3cc(C)ccc3C)cs2)cc1OC 2324561303 IURRMXJEJWCJFF-HXUWFJFHSA-N 432.545 5.724 30 10 IKEE CC(=O)c1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2C)C3=O)cc1 2324989534 HEIMOXLIQSTWEN-UHFFFAOYSA-N 441.483 5.140 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1c[nH]c2ccccc12 2325559103 LQVZPZDZQCBGID-UHFFFAOYSA-N 444.391 6.193 30 10 IKEE CCCOc1ccc(C=Nn2c(C)nnc2SCc2ccccc2F)cc1OCC 2325630869 AJBFDLMSSIFULN-UHFFFAOYSA-N 428.533 5.088 30 10 IKEE CCCCCOc1ccc(C=Nn2c(C)nnc2SCc2cccc3ccccc23)cc1 2325631612 KEBATZGAGJNSOB-UHFFFAOYSA-N 444.604 6.483 30 10 IKEE CCOc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c(C)c3)c2)cc1 2325714249 BBKSLDGWSRXXLV-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3cccc(Cl)c3)c2)cc1OC 2325728102 AVVKODPFTOPGLQ-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE CCc1ccc(CCC(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)OCCO4)c2)cc1 2325745713 RZCZBYVJMLBPBU-UHFFFAOYSA-N 442.511 5.455 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1OC(=O)c1sccc1C 2325745961 VBQKQFMAVQKZCX-UHFFFAOYSA-N 434.557 6.478 30 10 IKEE COc1ccccc1CC(=O)Oc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC 2325764171 XVSIMIFMNBDEMM-UHFFFAOYSA-N 444.527 5.673 30 10 IKEE CCCCCOc1ccc(C=Nn2c(CCc3ccccc3Cl)nnc2SC)cc1 2327915434 KSMIASACBZMWAO-UHFFFAOYSA-N 443.016 5.890 30 10 IKEE CCCCC1CCC(c2nnc(SCC)n2N=Cc2cccc(Br)c2)CC1 2328148309 NRNVRXNVIWXVNS-UHFFFAOYSA-N 449.462 6.499 30 10 IKEE C=C(C)CSc1nnc(COCc2ccccc2)n1N=Cc1ccccc1OC(C)C 2329339517 SYFGXRMBOILNCI-UHFFFAOYSA-N 436.581 5.333 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2ccccc2C(=O)O)cc1 2329992588 NFHDPCHXQMTWEF-UHFFFAOYSA-N 442.544 5.050 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(OC)c1OC(=O)CC(C)C 2330674762 ZKOQCBJZDCLJIE-UHFFFAOYSA-N 428.528 6.425 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)c(F)c3F)c(Cl)c2)cc1 2330743916 UGIOZNQSCSFMFQ-UHFFFAOYSA-N 444.836 6.435 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3cccc(C)c3)cc2)c1 2330776911 KRAJGAHTGXPPNH-UHFFFAOYSA-N 430.500 5.664 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(CC(C)(C)C)nnc1SCc1cccc(F)c1 2330831054 IMFHXHWREASLPT-UHFFFAOYSA-N 440.588 5.968 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(C)c3)cc2)c1 2330855661 UNRRADBWUJDTCD-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE Clc1ccc(C=Nn2c(SCCc3ccccc3)nnc2C2CCCC2)c(Cl)c1 2331077946 UOFLLSXLRHVUMJ-UHFFFAOYSA-N 445.419 6.460 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2OC)cc(OC)c1OC(=O)c1ccc(F)cc1 2331079250 AVYFBLCUELLSMH-UHFFFAOYSA-N 446.474 5.687 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] 2331124127 VXJLXKKRGDJBDE-UHFFFAOYSA-N 427.884 6.020 30 10 IKEE Cn1cccc1C=Nn1c(SCc2c(Cl)cccc2Cl)nnc1C(F)(F)F 2331143959 RODGXZQWDLSPLM-UHFFFAOYSA-N 434.274 5.117 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(F)c(F)c1F 2331157998 VHPCLLRSMRKUKO-UHFFFAOYSA-N 446.808 5.881 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc(Cl)c1OC(=O)C1CC1 2331237944 UXWSWWFCDAPKHT-UHFFFAOYSA-N 425.695 5.867 30 10 IKEE CCOc1ccc(C(=O)Oc2c(OC)cc(C=CC(=O)c3ccc(C)cc3)cc2OC)cc1 2331260296 UGROQFKGGQJCGE-UHFFFAOYSA-N 446.499 5.526 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)Cc1ccc(F)cc1F 2331281746 MZBZXHKMJRRJKQ-UHFFFAOYSA-N 436.454 5.716 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)[C@H](C)c1ccccc1 2331319333 IIRVSGWHLHYYSF-HXUWFJFHSA-N 444.527 5.926 30 10 IKEE COc1cc(C=Nn2c(SCc3ccccc3Cl)nnc2C(C)(C)C)ccc1O 2331397491 IMFWMUMNQYVUEZ-UHFFFAOYSA-N 430.961 5.118 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc(Cl)c1OC(=O)C(C)(C)C 2331659125 CWSYPZYGDLKWSM-UHFFFAOYSA-N 430.928 5.822 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)c1sccc1C 2331703603 ATAGFPSOTNKGHC-UHFFFAOYSA-N 440.948 6.451 30 10 IKEE Cc1cncc(C(=O)Oc2ccc(C=CC(=O)c3cc(Cl)ccc3Cl)cc2Cl)c1 2331860103 CFEPKILBLWBNOT-UHFFFAOYSA-N 446.717 6.466 30 10 IKEE CCN[C@@H](C#CC1(SC)CC1)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2336247151 YZPBTIOSUFLLLM-INIZCTEOSA-N 439.419 5.346 30 10 IKEE COc1cccc(SCc2ccc(B3OC(C)(C)C(C)(C)O3)c(Br)c2)c1 2377319081 VNGNDUDKTAIREE-UHFFFAOYSA-N 435.192 5.049 30 10 IKEE COc1ccc(-n2c(S[C@H](C)C(=O)Nc3ccccc3C#N)nc3ccccc32)cc1 9966777 ZSFGQSFMEYUDPX-MRXNPFEDSA-N 428.517 5.025 30 10 IKEE Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)/C=C/c3ccc(C(C)C)cc3)cc(C)c2c1 12240986 GJWIGPOVPSFKHO-DHZHZOJOSA-N 449.558 5.993 30 10 IKEE COc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1S[C@H]2c1ccc(C)cc1 17095550 JFZPACGXOKJGEX-WINIVTDRSA-N 427.569 6.663 30 10 IKEE COc1ccc([C@H]2c3sc4c(c3CCN2Cc2ccccc2C#N)CCCC4)cc1OC 21045883 ZHMYFFHNMLYBPX-SANMLTNESA-N 444.600 5.663 30 10 IKEE COc1cccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(Oc3ccccc3)c2)c1 21240102 IAEFKCPXLRUXBZ-GBXCKJPGSA-N 439.511 5.492 30 10 IKEE Cc1cc(C)cc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2cccs2)c1 21722336 TVHYJLMBXAXXSD-RUZDIDTESA-N 443.572 6.577 30 10 IKEE N#CCc1ccc(NC(=O)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 23332327 UPSHCNCZQNNDHQ-RUZDIDTESA-N 444.966 5.345 30 10 IKEE CCC(C)(C)[C@H]1CCc2sc3ncnc(N/N=C\c4c(F)cccc4Cl)c3c2C1 27527948 PFEWZTWVQXTLCZ-KCENJROVSA-N 430.980 6.471 30 10 IKEE C/C(=N/n1c(-c2ccc([N+](=O)[O-])cc2)cs/c1=N\C(C)C)c1ccc(C(C)(C)C)cc1 33713184 IEOJWEHROMLENP-ZDSFCLCXSA-N 436.581 6.004 30 10 IKEE C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 38299850 MQYXUWHLBZFQQO-QGXYMETRSA-N 426.729 8.025 30 10 IKEE in-vitro C=CCc1ccccc1OCCCn1c(COc2ccccc2OC)nc2ccccc21 40233279 VQNBINCDFBFGIE-UHFFFAOYSA-N 428.532 5.822 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OCc4ccccc4C)c3C)C2=O)c(OC)c1OC 41433032 VVAHEVLEWJOARU-UCQKPKSFSA-N 446.499 5.524 30 10 IKEE O=C(Nc1cccc(Cl)c1)c1cccc(/N=C/c2cccc(OCc3ccccc3)c2)c1 59457136 TWGTZRNHWPBHJL-RDRPBHBLSA-N 440.930 6.922 30 10 IKEE C=CCn1c(SCCC(=O)Nc2cccc3ccccc23)nnc1-c1ccc(F)cc1 59795758 BNEHAVTUXRNYMA-UHFFFAOYSA-N 432.524 5.544 30 10 IKEE CC/C(C)=N/Nc1nc(SCC(=O)Nc2ccccc2SCc2ccccc2)n[nH]1 59888812 GWSBDHZSMRAQTF-BUVRLJJBSA-N 440.598 5.026 30 10 IKEE Cc1cc(Br)c(/N=C2/N[C@H](c3ccccc3)CS2)c(Br)c1 63001055 JTAMFNOUEGTQJW-AWEZNQCLSA-N 426.177 5.585 30 10 IKEE C[C@H](/N=C1/S/C(=C2\Sc3ccccc3N2C)C(=O)N1C1CCCCC1)c1ccccc1 97636250 IBIGNXGUBHLRGR-PSCRSZLHSA-N 449.645 6.423 30 10 IKEE Cc1ccc(-c2cc3ccccc3o/c2=N/N=C2/SCC(=O)N2Cc2ccccc2)cc1 101301041 XHKGJURAHCWVSZ-NBHCHVEOSA-N 439.540 5.356 30 10 IKEE COc1ccc(Nc2ccc(/N=C3\C=C(c4ccccc4)[C@@](O)(c4ccccc4)C3)cc2)cc1 102944021 XNTQEFLKIURNSJ-RCKVGKOVSA-N 446.550 6.886 30 10 IKEE CCOc1ccc(OCCCC(=O)N2CCCS/C2=N/c2ccc(C(C)=O)cc2)cc1 103039685 ZQLWMNLCHKTLRB-OCOZRVBESA-N 440.565 5.100 30 10 IKEE Cc1cc(C#N)cc(C)c1OCC(=O)c1cc(Br)sc1Br 115886841 HEDUZIYTRRVUAG-UHFFFAOYSA-N 429.133 5.023 30 10 IKEE C#C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@@H]3CC[C@@]21C 169316039 AIIXYCDTEGICEE-CCTPBWNGSA-N 439.603 5.204 30 10 IKEE Clc1ccc(N/N=C/c2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1 169878909 PMOSIHUKBCHCDG-TWKHWXDSSA-N 448.957 7.306 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\Nc2nc3ccccc3s2)cc1OC 169890319 JDWVNWUQLYRYIT-BWAHOGKJSA-N 425.598 6.880 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc(F)c(C)c2)=C(O)C(=O)N1c1ccc(F)cc1 169940681 ZBLQROAPYRZKPI-QFIPXVFZSA-N 435.426 5.065 30 10 IKEE CCOc1cc(OCC)c([N+](=O)[O-])cc1/C=N\Nc1nc(-c2ccccc2)c(C)s1 169943297 PLBFNDSIWXTDRW-XKZIYDEJSA-N 426.498 5.270 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccccc2OC)c1 169944238 SWPNBHWIKLGKTG-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2cccc(C)c2)cc1 169968456 DNLXCNHRZJEVMK-HSZRJFAPSA-N 449.453 5.455 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2cccs2)cc1Cl 169986760 PZOPEYJUDYLTKN-JOCHJYFZSA-N 437.948 5.812 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2cccnc2)cc1 170005569 GTLLUIVIRJXDAR-JOCHJYFZSA-N 448.906 5.225 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(O)c(Cl)c2)cc1C 170041060 IVXDLDSICZRHNZ-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccccc2)ccc1F 170055240 IMRFIYNGSWRIHL-HSZRJFAPSA-N 433.454 5.094 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)ccc1F 170070467 DQQSLIKXNBCEPM-OAQYLSRUSA-N 439.845 5.710 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccs2)c1 170156464 PVGIDLLWAMEAAG-QFIPXVFZSA-N 433.529 5.628 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1cccs1 170156501 LURDDHVZZGGLOD-OAQYLSRUSA-N 433.529 5.465 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2)[C@@H]1c1ccc(OCC(C)C)cc1 170167354 ALPNBVHSVNUPKU-QHCPKHFHSA-N 437.536 5.108 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2)ccc1OC(C)C 170226303 UEWMTLYJQLELSJ-DEOSSOPVSA-N 427.500 5.565 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(F)cc2)cc1 170244184 NQAWHCKRXAXKLO-QHCPKHFHSA-N 437.511 5.381 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1ccccc1F 170248684 RMGOXEPVCLOVNY-JOCHJYFZSA-N 435.426 5.065 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccccc2F)c1 170248756 UJEVQQXTGRWGCT-HSZRJFAPSA-N 447.462 5.101 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1cccc(O)c1)c1cc2ccccc2o1 170258127 QGWDJPVDHRAEAX-QFIPXVFZSA-N 429.403 5.060 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2CCCOC)cc1 170266977 KXHGDQQWIUUESW-DEOSSOPVSA-N 449.591 5.470 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@H]1c1ccc(CC)cc1 170267674 VHTPKGKRZLLMPB-OAQYLSRUSA-N 427.928 5.289 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccc2C)cc1Cl 170273090 NZWRFTITLAJAAA-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@H]1c1ccccc1C 170276939 TXXHJNJDOSXQFE-LJQANCHMSA-N 428.326 5.054 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccco2)c1 170282710 QUAKVHNYFSEMSX-HSZRJFAPSA-N 431.488 5.467 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccco1 170284291 DIADMIVOJYNZDK-LJQANCHMSA-N 428.271 5.678 30 10 IKEE CC(C)OC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccccc2)c1 170372628 YNUOQUFBNXGGSN-OAQYLSRUSA-N 447.512 5.096 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccco2)=C(O)C(=O)N1c1ccc(Cl)c(Cl)c1 170397702 QJOJUSJTDGPQDM-LJQANCHMSA-N 428.271 5.678 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Oc3ccccc3)cc2)[C@H]1c1ccco1)c1ccncc1 170400854 QESKWUGFVKSNBT-QHCPKHFHSA-N 438.439 5.250 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cccc(OC(F)(F)F)c2)o1 170401039 BTBLIXVLQADFHG-QGZVFWFLSA-N 449.406 5.331 30 10 IKEE CC1(C)[C@H]2CC[C@]1(C)C(=NN=C1NC(=O)/C(=C/c3cccc(Br)c3)S1)C2 252636178 XGBYPXJUPDRINW-NUHLCPQHSA-N 432.387 5.211 30 10 IKEE CCCN1C(=O)C(=NOCC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)c2ccccc21 254628097 LWUZVKSHPYJUHF-UHFFFAOYSA-N 449.938 5.108 30 10 IKEE COc1ccc(-c2ccc(C=NNc3c(Cl)cc(Cl)cc3C(F)(F)F)s2)cc1 254790515 MBPACWIBIDPCIR-UHFFFAOYSA-N 445.293 7.195 30 10 IKEE N#CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1C=NNc1ccc([N+](=O)[O-])cc1 254872322 SHEKNWDYCILSRO-UHFFFAOYSA-N 430.508 5.411 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(OC(C)C)cc2)cc1 526485303 FHVFAAKEJCKTBN-VWLOTQADSA-N 440.499 5.411 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccc(F)c2)cc1OC 526486463 LFRAIFHUBCTMEA-XMMPIXPASA-N 444.462 5.162 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1c(OC)ccc2ccccc12 526802852 ORNYYYTZLZBYKQ-YUMHPJSZSA-N 448.567 6.096 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1ccc(OCC)c(Cl)c1 526809612 PFNPSTWBUJNICA-QFEZKATASA-N 443.016 6.074 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccc(OC)cc1OC 526811520 NEXRLDPTRHDMBU-QRVIBDJDSA-N 430.961 5.076 30 10 IKEE CCCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccc(C)cc2C)cc1Cl 526812070 XREHDDDBADVNJT-QFEZKATASA-N 443.016 6.074 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1ccc(N(CC)CC)cc1 526819012 LNMPNRCBURHODS-ONUIUJJFSA-N 435.641 5.868 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@](C)(C#N)[C@@H]1CC2CCC1CC2 698470641 QFRVMPBDGYKTHM-JSHJWVOOSA-N 433.390 6.299 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H](CNC(=O)OC(C)(C)C)C(C)C 698483555 CJCMZBORCWIHQN-IEBWSBKVSA-N 447.576 5.126 30 10 IKEE C[C@H](COCc1ccccc1)COc1ccc2cc(B3OC(C)(C)C(C)(C)O3)ccc2c1 719159921 OVFAFXBJVVINOB-HXUWFJFHSA-N 432.369 5.371 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@@H](NC(=O)OC(C)(C)C)C1 724027652 JKMYHYFMTVQRLM-HOYKHHGWSA-N 429.561 5.466 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 724068807 GVXPUFOFHQFEDB-HJPURHCSSA-N 433.524 5.154 30 10 IKEE CSCc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)cc1 724752371 OBBJFUJICFIGHQ-LJQANCHMSA-N 447.398 6.318 30 10 IKEE COc1ccc(-c2nc(N=Cc3ccc(C)cc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 1084095325 PDQBTTYOJLPGPL-UHFFFAOYSA-N 429.501 6.453 30 10 IKEE CC(=O)O[C@H]1CC[C@]2(C)C(=CC(=O)[C@@H]3[C@H]2CC[C@@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]32)C1 1565537799 PMBSWZWCNKVWLV-WBUXXHEHSA-N 442.684 7.139 30 10 IKEE O=C1NC(=NN=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)S[C@H]1Cc1ccccc1 1772742074 XKKISRDNRPYTOB-IBGZPJMESA-N 443.450 5.130 30 10 IKEE N#Cc1cc(-c2c(F)c(F)c(F)c(F)c2F)ncc1-c1c(F)c(F)c(F)c(F)c1F 1848358609 PFBACLHBRSZCKR-UHFFFAOYSA-N 436.208 5.678 30 10 IKEE Cc1ccc(-c2nn(-c3ccc(C)cc3)cc2/C=N\NC(=S)Nc2ccc(F)cc2)cc1 1857811960 LZTHYFODJDTRIR-DICXZTSXSA-N 443.551 5.616 30 10 IKEE CC(=O)c1ccc(NC(=O)Oc2cccc3c(NC(=O)c4cccc(C#N)c4)cccc23)cc1 1858779936 HCCZMMZQUSJCLC-UHFFFAOYSA-N 449.466 5.777 30 10 IKEE Cc1cccc(C)c1OCC(=O)Nc1cc(NC(=O)c2cccc(C#N)c2)ccc1Cl 1860461527 FIORZYYWHCELLU-UHFFFAOYSA-N 433.895 5.098 30 10 IKEE CC(C)Cc1nc2ccc(C(=O)Nc3ccc(C(=O)Nc4ccc(C#N)cc4)cc3)cc2[nH]1 1860879655 HSBQTQUREITHTI-UHFFFAOYSA-N 437.503 5.138 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 1861015544 CYNDRZSDKYBBFL-HSZRJFAPSA-N 429.004 6.068 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](CCCC)NC(=O)CCCOc1ccc(C(C)(C)C)cc1 1862212987 PBPURROERXLVRV-HSZRJFAPSA-N 428.617 5.019 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2cccc(OC)c2)cc1 1862391563 CXSQPCSUBAXTOA-XMMPIXPASA-N 435.564 5.662 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 1862393269 RIEIRNZJWRCQSZ-QFIPXVFZSA-N 436.508 5.172 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@@H]1c1ccccc1F)c1ccc(F)cc1F 1862411812 PPLPQQQUPACLHD-JOCHJYFZSA-N 443.465 5.795 30 10 IKEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc(O)c2)cc1 1862475655 RJYYHUUECUPOOZ-MZNJEOGPSA-N 443.499 5.049 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1c(Cl)cccc1Cl 1862481568 GNDDCQRVRHTHFN-NRFANRHFSA-N 446.374 6.460 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccccc2Cl)ccc1F 1862503368 WGZYTNHVXRTRNQ-UPNLOYSTSA-N 441.930 5.945 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(OCCC)cc1 1862510450 DOPBYSQDRYDKDP-HSZRJFAPSA-N 439.527 5.691 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 1862536526 AQBHFUNEIBSGCW-DEOSSOPVSA-N 445.515 5.409 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccc(F)cc2)cc1 1862615598 KZPNAUVTVOSAMT-QHCPKHFHSA-N 444.506 5.297 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1cc(Cl)cc(Cl)c1 1862624372 WWPAWAQBPPAMNV-HXUWFJFHSA-N 446.374 6.279 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862625509 IBLWUNXEIMFQEP-XMMPIXPASA-N 445.515 5.193 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2cccc(C)c2)cc1F 1862638741 JBPQZIHWXUGOIO-XMMPIXPASA-N 449.522 5.612 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccccc2C)cc1F 1862639005 OSTUOZSBDIJHPX-LERMDLETSA-N 437.511 5.300 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1ccccc1Cl 1862640194 FPFFSVSUCFPRFC-NRFANRHFSA-N 445.918 5.646 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(Cl)cc2)cc1F 1862640344 GRQGYGAQVSYRJQ-NRFANRHFSA-N 443.902 5.399 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccc(F)c1)c1cccc2ccccc12 1862650639 ZQMHCTXZTMFYDM-QHCPKHFHSA-N 427.431 5.350 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc(OCc2ccccc2)c1 1862685161 PLIUOFNYBMFLTC-XMMPIXPASA-N 445.490 5.393 30 10 IKEE COc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3cccc4ccccc34)C2=O)cc1 1862957908 BTCXZIJBYXMIFT-UHFFFAOYSA-N 445.478 5.117 30 10 IKEE Cc1cc(C)cc(NC2=C(c3ccc(F)c(C)c3)C(=O)N(c3ccccc3C#N)C2=O)c1 1863100528 SCDHDNJTWUIGTG-UHFFFAOYSA-N 425.463 5.019 30 10 IKEE CCCCCCCOc1cn(CCCCC)c(CNc2ccc(F)c(Cl)c2)cc1=O 1870837611 OXXKTLYNMQCSDK-UHFFFAOYSA-N 436.999 6.792 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OC)c(=O)cc1CNc1ccc(C)c(Cl)c1 1870872500 IXNPWOAQOCUZSU-UHFFFAOYSA-N 448.991 5.335 30 10 IKEE COc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(C1CCCCCCC1)C3 1871348947 KPPUOKVZCGBZED-IWIPYMOSSA-N 433.548 5.885 30 10 IKEE CCc1ccc([C@@H](C)N2COc3cc(C)c4c(c3C2)O/C(=C\c2ccc(C)o2)C4=O)cc1 1871354702 YKVVYLXKQGMKAV-WTZXFZKGSA-N 429.516 5.988 30 10 IKEE CCN(CC)CCCN1COc2c(cc3c(c2C)O/C(=C\c2cccc(Cl)c2)C3=O)C1 1871354926 IPSRHJROHUGESY-XKZIYDEJSA-N 440.971 5.148 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)CCCOc4ccccc4)cc(C)c3C2=O)cc1 1871371202 KEDWUZNRBDVZAQ-JLPGSUDCSA-N 444.483 5.384 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)c3C)C2=O)o1 1871372746 INLLGLFZKDTUKS-GRSHGNNSSA-N 439.807 5.293 30 10 IKEE Cc1c(OCCOc2ccc(C(C)(C)C)cc2)ccc2c1O/C(=C\c1cccs1)C2=O 1871414286 DXFIQFNQCZXNFC-KQWNVCNZSA-N 434.557 6.428 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\c1cccs1)C2=O)Nc1cccc2ccccc12 1871452835 RVJXBWWVAWLZDS-UCQKPKSFSA-N 427.481 5.535 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(O)cc2)[nH]c(N2CCc3ccccc3C2)n1 1871719616 GZWDMDJCEVABJL-UHFFFAOYSA-N 446.599 5.078 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(Cc2ccccc2)cc1)S(=O)(=O)CCC 1872290548 NUJUHVBAOSTHTR-DEOSSOPVSA-N 442.625 5.003 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(Cl)cc1C)[C@@H](C)CC)S(=O)(=O)CCCC 1872507230 KBRLFCHJLUHMKL-JXFKEZNVSA-N 429.026 5.010 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(C)cc3C(C)(C)C)n2)cc1 1872764344 KMJZRDXDDGPXJX-IBGZPJMESA-N 434.561 5.680 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@H](C#N)C(=O)Cc3ccc(Cl)c(Cl)c3)n2)c1C 1872778644 PRWXMNHXBWZVOD-QGZVFWFLSA-N 443.399 6.770 30 10 IKEE Cc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1C 1872785528 PAEPVXYQMQDXHX-JOCHJYFZSA-N 432.589 6.288 30 10 IKEE C=CCc1ccccc1OCc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 1872859480 SJLJDKUSFFDGHK-UHFFFAOYSA-N 435.523 7.039 30 10 IKEE CCCCCCCCCCN1C[C@H](C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)CC1=O 1873024330 XWBQCRAUUFKWCE-NFBKMPQASA-N 438.616 5.216 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@@H](CC)CCCCC)=C(c2cccs2)C1=O 1873156003 PVBYUQBBJDFOTF-NRFANRHFSA-N 446.701 6.917 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2[C@@H](C)CC)=C(c2ccccc2Br)C1=O 1873253713 MDOLHAQRPWWHSZ-HNNXBMFYSA-N 439.353 5.341 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(Cl)ccc2C)=C(c2cccnc2)C1=O 1873269384 SNTHEEAOBQJLNI-UHFFFAOYSA-N 425.960 5.596 30 10 IKEE Cc1cc(C)c(C2=C(Nc3ccccc3C#N)C(=O)N(Cc3ccccc3F)C2=O)c(C)c1 1873327614 VCDDKIIQTQMDDU-UHFFFAOYSA-N 439.490 5.015 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C(C)=O)cc2)=C(c2cc(C)ccc2C)C1=O 1873394899 NOGODAYMLLVXBN-UHFFFAOYSA-N 446.591 6.059 30 10 IKEE CCCCCCCCCCNC(=O)c1cc2c(N3CCC[C@@H](C)C3)ncnc2n1CC 1873570940 PMTYXMUYVJUYAN-HXUWFJFHSA-N 427.637 5.558 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(N3CCCC3)cc2)cc2c(NCCCCC)ncnc21 1873622636 HEUATGAKHIHNAY-UHFFFAOYSA-N 432.572 5.072 30 10 IKEE N#Cc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCCC3)C23CCCCC3)cc1 1873867823 ZHDWKAXIWFDAHX-RUZDIDTESA-N 441.575 5.772 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(OC)cc2)n1/N=C/c1ccc(C)cc1 1874219737 BIOBLQPWMRWBSK-PCLIKHOPSA-N 436.581 5.157 30 10 IKEE CCCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874256046 MKTBPNKQXDVFPR-YDZHTSKRSA-N 439.541 5.075 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2)n1/N=C/c1ccc(Cl)cc1 1874316637 DGIPRGJOVMEUQH-BUVRLJJBSA-N 426.973 5.494 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3)n2/N=C/c2cccn2C)cc1C 1874330673 YSKWMMRNKMCFIQ-YZSQISJMSA-N 429.593 5.193 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2/N=C/c2cccc(O)c2)c1 1874356945 HSCUFIUBKYOGFU-JVWAILMASA-N 442.588 5.674 30 10 IKEE CCCSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(Cl)cc1Cl 1874367413 AVCZWDMQMZZECN-SSDVNMTOSA-N 425.772 6.290 30 10 IKEE O=[N+]([O-])c1ccccc1/C=N/n1c(Cc2ccc(F)cc2)nnc1SCc1ccccc1 1874379834 OYNKAIJYUASROC-MFKUBSTISA-N 447.495 5.091 30 10 IKEE Cc1ccc(C)c(CSc2nnc(COc3ccccc3)n2/N=C/c2ccccc2O)c1 1874384364 LXLHAQZVMZXIII-CVKSISIWSA-N 444.560 5.354 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874384417 OBECBMDTDHXGQX-FOKLQQMPSA-N 433.364 5.714 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2cccc(F)c2)nnc1[C@H](C)c1ccccc1 1874393124 DJVVHDMRUWMZOK-AXNZHVIBSA-N 446.551 5.752 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCCCO)cc1 1874408868 UCDMFAZGDQSZCF-NCELDCMTSA-N 444.645 5.327 30 10 IKEE Cc1cccc(/C=N/n2c(Cc3cccs3)nnc2SCc2ccc([N+](=O)[O-])cc2)c1 1874411936 SDGCVOLUUDWFIX-OEAKJJBVSA-N 449.561 5.322 30 10 IKEE Oc1ccc(Cl)cc1/C=N/n1c(Cc2ccccc2)nnc1SCc1ccccc1 1874416711 DRYFGSJHFUVWCS-MFKUBSTISA-N 434.952 5.402 30 10 IKEE Cc1ccsc1/C=N/n1c(Cc2ccccc2)nnc1SCc1cccc(Cl)c1 1874419305 HPRLGFMHTPTRFZ-ZVHZXABRSA-N 439.009 6.067 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2-c2ccccc2)c1 1874429857 GCCSGKOCZVKQIE-VULFUBBASA-N 436.943 6.221 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C(F)(F)F)c1 1874459525 RHFOWUBBFJVBRO-BRJLIKDPSA-N 438.450 5.399 30 10 IKEE CC(C)Cc1nnc(S)n1/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 1874559197 COKDBLHOGMUAGN-FOKLQQMPSA-N 435.380 5.533 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc3c(c2)OCO3)c1OCc1cccc2ccccc12 1874582643 YOUAWXIWIUMRKI-WYMLVPIESA-N 438.479 6.052 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC)c2OCc2ccc([N+](=O)[O-])cc2)cc1C 1874591720 YLNROCIKDRDQHQ-JLHYYAGUSA-N 447.487 5.704 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OCC(=O)NCc2ccco2)c1 1874598071 SATMLARDQFSSTP-ZRDIBKRKSA-N 447.531 5.177 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Br)c(OCCO)c(OC)c2)cc1 1874607351 JQBVWMNRVZMJCL-DHZHZOJOSA-N 433.342 5.068 30 10 IKEE C=CCOc1c(OC)cc(/C=C/C(=O)c2ccc(OCCCCCCC)cc2)cc1OC 1874625526 IZURAOXPAAWKDI-LFIBNONCSA-N 438.564 6.514 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2OC)cc(Br)c1OCC 1874632739 RXKWVJGWCGIADU-JXMROGBWSA-N 435.314 5.160 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cc(C)cc(C)c3)c2)cc1 1874695460 BWHMFEICMNZGMG-GXDHUFHOSA-N 442.555 6.770 30 10 IKEE CCOc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3cc(OC)ccc3OC)c2)cc1 1874706594 PRHPBPSXRCEMPI-RIYZIHGNSA-N 432.472 5.218 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)CC(C)(C)C)c2)cc1Cl 1874712066 QDQNMYLFZSBAQM-VQHVLOKHSA-N 446.927 5.604 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccc(C)cc2)c1 1874712285 RYQPQSHBLFWOQG-DHZHZOJOSA-N 441.310 6.426 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc1OC(=O)CCCSC 1874714900 SQEZYEZVHVXVSG-VQHVLOKHSA-N 448.968 5.610 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)COc3ccccc3)c2)cc1C 1874718016 QBLGVWPSXKUHQB-ZRDIBKRKSA-N 446.499 5.201 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1OCC 1875078600 SOXKULYFCSJCDI-LFIBNONCSA-N 448.946 7.007 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(CC)cc3)cc2OC)cc1 1875100999 GKKQBKBANJNHLQ-MHWRWJLKSA-N 444.527 5.701 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(Cl)c1OC(=O)c1ccc(C)cc1 1875101543 UJGGSISOURVVDR-XNTDXEJSSA-N 448.946 6.725 30 10 IKEE O=C(COc1cc(Cl)ccc1Cl)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1 1875127440 DWMFPTKHYDNIEX-MDWZMJQESA-N 427.283 5.874 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(OC)ccc2OC)cc(OC)c1OC(=O)CCCC 1875147343 RSOHYTFCWUXJPA-ACCUITESSA-N 438.520 5.433 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccccc1C 1875150577 UQYQWBMFBMGAGI-MHWRWJLKSA-N 428.528 6.416 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OC(=O)c1ccc(F)cc1 1875154677 QPPAVKYAORFOQU-MHWRWJLKSA-N 440.470 6.493 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)c3ccccc3)c(Cl)c2)cc1 1875155694 PLRQVZPSXZNKLB-RNYZQXAPSA-N 432.947 7.069 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cncc(C)c3)c([N+](=O)[O-])c2)c(C)c1C 1875166897 KCYATUUNUNXBSR-VMPITWQZSA-N 446.459 5.039 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)cc2)c1 1875168884 YXWFQCPOOFCHIQ-NTCAYCPXSA-N 428.528 6.434 30 10 IKEE C=C(COCc1ccccc1)[C@H](N)[C@@H](O)c1ccc(-c2cccc(Br)c2)s1 1922064049 BFKSDMMWLQLWGG-VXKWHMMOSA-N 444.394 5.311 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@](C)(O)c1ccc(OCc2ccccc2)cc1 1922073073 ALUHHXDCCZZUNX-WDYNHAJCSA-N 445.603 5.614 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C(C)(C)[C@H](NC(=O)OC(C)(C)C)C(C)C 1922107655 NPQJNTYYBNFWKQ-PKTZIBPZSA-N 432.649 5.703 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)cc1 1949109467 HYHGYQWQDRIGFA-GLDPYIMESA-N 427.545 5.028 30 10 IKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)C1(C#N)CCC2(CC1)C[C@@H]2CNC(=O)OC(C)(C)C 1996453096 FDUPPUJFSYQMHP-RDNZODCXSA-N 435.609 5.389 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)c1 2013407290 MVCZPFCGGSKGBJ-KOSHJBKYSA-N 429.561 5.322 30 10 IKEE Cc1ccnc(N(Cc2ccccc2)[C@H](C)c2cccs2)c1B1OC(C)(C)C(C)(C)O1 2052555948 GFWRUARHKBAZBZ-LJQANCHMSA-N 434.414 5.519 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)[C@@H]2CC[C@H]21 2057587410 WJDVHWQQVUFJLM-KHCICDEESA-N 445.535 5.249 30 10 IKEE Cc1ccc([C@@H](C2CCC2)n2nc(C(F)(F)F)c(/C=N/O)c2Br)c(F)c1 2079125134 OSFPALSHSGTYNH-VKKHMPROSA-N 434.231 5.310 30 10 IKEE Cc1ccc([C@H](n2nc(C3CCC3)c(C=NO)c2Br)C(C)(C)C)c(F)c1F 2079906586 SEKPCUDHPPWOKR-SFHVURJKSA-N 440.332 5.943 30 10 IKEE CCCOc1ccc([C@H](CC)n2nc(C(C)C)c(C#N)c2I)cc1 2080056322 RSRXUAWSHIQBSG-KRWDZBQOSA-N 437.325 5.271 30 10 IKEE C=C([C@@H](NCCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1)C(C)(C)C 2096630117 FGCJZAIQKSIAKW-GOSISDBHSA-N 425.411 6.439 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCCC(F)(F)CC1 2097430817 YPRYYZQMHDWVMS-SFHVURJKSA-N 429.305 6.052 30 10 IKEE C#CCCN1CC[C@H](NCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1 2139226811 WSVCFTYYHOJVEZ-MHZLTWQESA-N 440.587 5.032 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCC(Nc3cc(Br)ccc3C#N)CC2)C1 2155993997 WXMDFSVGYOFVGP-UHFFFAOYSA-N 434.378 5.302 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@H]2Nc1cccc(Br)c1C#N 2162412279 CJOMOZCDXINHPD-LJQANCHMSA-N 428.330 5.767 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(Br)c(C#N)c2)CC12CCCC2 2194586495 UECNDIFTSLBCGW-QGZVFWFLSA-N 434.378 5.445 30 10 IKEE C=C(F)C[C@H](NCCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2229116662 PQKZDCAMTDXOTL-ROUUACIJSA-N 429.374 5.126 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](C#Cc1ccccc1Br)NCCC 2235747929 UTGKYMPNEPIEDY-UXHICEINSA-N 435.406 5.028 30 10 IKEE C=CCC[C@H](C)[C@@H](NCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237400227 NIRZCQBEHCPKPG-PWIZWCRZSA-N 439.438 5.465 30 10 IKEE CC[C@H](C)N(Cc1ccccc1)C(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2247835156 HCVKYTQWRLKRIA-KRWDZBQOSA-N 427.781 5.080 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1sc(Br)c(C)c1C 2254706279 XMRCPJONXIPVPP-CABCVRRESA-N 431.440 5.638 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1csc(C2CC2)c1 2267849922 SDBBGCODFQXPRB-KRWDZBQOSA-N 433.371 6.394 30 10 IKEE C=C([C@H](NCC)[C@@](C)(O)c1cc(Br)c(Br)s1)C(C)(C)C 2281232894 JZFIQXHOMKEIHH-WFASDCNBSA-N 425.230 5.061 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1c1ccc(Nc2c(Br)cccc2C#N)cc1 2285182343 ILOZRFJHMZCJCW-SJLPKXTDSA-N 428.330 5.445 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1CC[C@@H](O)C#Cc1cccc(Br)c1 2296233621 ZBCXDQAXMKTBON-YSIASYRMSA-N 436.390 5.025 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1CCCN(Cc2ccccc2)C1 2296266493 JCDGCIDOADNHGX-VWNXMTODSA-N 425.414 5.081 30 10 IKEE CN[C@@H](C#Cc1ccc(Br)cc1)CCC1(NC(=O)OC(C)(C)C)CCCC1 2296291680 REDKAZCGLZELPX-IBGZPJMESA-N 435.406 5.006 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@](C)(CCC)NC(=O)OC(C)(C)C 2296296719 QVFGUXFVJHFLLB-KNQAVFIVSA-N 437.422 5.252 30 10 IKEE Cc1ccc(NC(=S)NN=Cc2cn(-c3ccccc3F)nc2-c2ccc(C)cc2)cc1 2296407497 FSBDTYKHVCDXOD-UHFFFAOYSA-N 443.551 5.616 30 10 IKEE COc1ccccc1C=C1CN(Cc2ccccc2)CC(=Cc2ccccc2OC)C1=O 2297333986 QETQTKNXDBHZSW-UHFFFAOYSA-N 425.528 5.256 30 10 IKEE CCCN=C1SC(=NN=Cc2ccccc2O)N(c2ccc(F)cc2)C1=NCCC 2297460551 IKJDNYYQMRVVCM-UHFFFAOYSA-N 425.533 5.092 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CCCC12CN(C(=O)OC(C)(C)C)C2 2301375754 KDLUETZEPJNVRP-GOTSBHOMSA-N 428.617 5.165 30 10 IKEE CCCCCCC[S@](=N)(=O)c1cc(I)ccc1Br 2316463153 OFDXGSKCAJECQL-SFHVURJKSA-N 444.176 5.430 30 10 IKEE CCCCOc1ccc(NC(=O)C(=O)C=Cc2cccc(OCc3ccccc3)c2)cc1 2318789048 XSTZZCUCPGHOJX-UHFFFAOYSA-N 429.516 5.666 30 10 IKEE Clc1ccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C2CC2)cc1 2320892234 RYJCDJCPQHLTLG-UHFFFAOYSA-N 437.783 6.290 30 10 IKEE Sc1nnc(C2CCC2)n1N=Cc1ccc(OCc2ccc(Br)cc2)cc1 2321901563 LPMWJWWSIJJJPZ-UHFFFAOYSA-N 443.370 5.058 30 10 IKEE Cc1ccccc1COc1ccccc1C=Nn1c(S)nnc1CCc1ccccc1 2321958718 PBXJYEVTOWVOGZ-UHFFFAOYSA-N 428.561 5.122 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc3c2CN(CCCc2ccccc2)CO3)C1=O 2322214313 AAMKYKQHHRSCEY-UHFFFAOYSA-N 441.527 5.486 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1cccs1)O3)CN(CCCCc1ccccc1)CO2 2322252144 VILWASYOSCWOGR-UHFFFAOYSA-N 431.557 5.848 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2ccccc2)cc1 2322612781 BCGYMPGOHWKBAS-UHFFFAOYSA-N 445.515 5.398 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccccc1OCc1ccc(Cl)cc1 2322766995 OENQKMCPRPQWDN-UHFFFAOYSA-N 434.963 7.121 30 10 IKEE CCCOC(=O)COc1ccc2ccccc2c1C=CC(=O)c1cc(Cl)ccc1OC 2323022385 WABPNTSJUSSTAQ-UHFFFAOYSA-N 438.907 5.730 30 10 IKEE COc1ccccc1C=C1Oc2cc(OC(=O)c3ccc(OCC(C)C)cc3)ccc2C1=O 2323630910 CNZKBKAOBXLROA-UHFFFAOYSA-N 444.483 5.565 30 10 IKEE CCCCC1CCC(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(CC)cc2)C3=O)CC1 2323653187 PNBXNLMSURCWFE-UHFFFAOYSA-N 446.587 7.076 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(OC(=O)C=C(C)C)c3C)C2=O)c2cc(OC)ccc21 2323719281 DTDLVFMUHFSDPI-UHFFFAOYSA-N 431.488 5.466 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OCc3ccccc3)c(Cl)c2)c1 2324388895 DLVUEDLJKBDNDS-UHFFFAOYSA-N 436.935 6.613 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCCCOc4ccc(Cl)cc4)ccc3C2=O)cc1 2324553429 VCKXOENKWAHQDL-UHFFFAOYSA-N 434.919 6.367 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2OC)ccc1OCc1ccccc1F 2324708470 WSQSMCTULFWCES-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1cc(C)c2c(c1)OC(=Cc1ccc(F)cc1)C2=O 2325092875 DSCKIJIUCWQFIT-NRFANRHFSA-N 440.511 6.031 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1cccc(C=CC(=O)c2ccc(Cl)cc2Cl)c1 2325708994 IRGJFOPXQJIVFP-UHFFFAOYSA-N 429.274 6.177 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(C(F)(F)F)cc3)c2)cc1C 2325715163 JPDDOVUDHBIBFH-UHFFFAOYSA-N 440.417 6.138 30 10 IKEE Cc1c(OCC(=O)Nc2ccccc2F)ccc2c1OC(=CC=Cc1ccccc1)C2=O 2325739559 XFJZMDWPPRODKT-UHFFFAOYSA-N 429.447 5.324 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccccn3)c2)c1 2325758018 PMWGZUYECYSSNE-UHFFFAOYSA-N 447.487 5.003 30 10 IKEE C=CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1ccc(CC)cc1 2325905439 FHIHOTSGDPHHFW-UHFFFAOYSA-N 448.636 6.186 30 10 IKEE Cc1nnc(SCc2ccccc2)n1N=Cc1cc(Cl)c(OCC(C)C)c(Cl)c1 2326211766 BVHINAGMJFDIHJ-UHFFFAOYSA-N 449.407 6.103 30 10 IKEE CCCOc1cc(C=Nn2c(CCC)nnc2SCc2ccccc2F)ccc1OC 2326272513 HFBULKBIVSLGAF-UHFFFAOYSA-N 442.560 5.342 30 10 IKEE CCCSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1ccc(F)cc1 2326398992 WRTNCEXRYXESEK-UHFFFAOYSA-N 426.561 5.430 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SCC)n1N=Cc1ccc(C(C)C)cc1 2326458285 LDKIDDUROKHESL-UHFFFAOYSA-N 436.581 5.540 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1cccc(OC(C)C)c1 2326473541 LGKSOIVEVJCNEO-UHFFFAOYSA-N 428.989 5.846 30 10 IKEE N#Cc1cnn(-c2ccccc2F)c1NC(=O)C=Cc1ccc(OCc2ccccc2)cc1 2326771923 DLVLIMGQYHFAHY-UHFFFAOYSA-N 438.462 5.114 30 10 IKEE C(=Nn1c(CC23CC4CC(CC(C4)C2)C3)nnc1SCCc1ccccc1)c1ccc[nH]1 2326920566 PRESZAJKFMKCRB-UHFFFAOYSA-N 445.636 5.582 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccc(Cl)cc3)n2N=Cc2cccnc2)c1 2329105294 OPMYXYDSGKGVLG-UHFFFAOYSA-N 447.995 5.709 30 10 IKEE CCCSc1nnc(COCc2ccccc2)n1N=Cc1ccc(Br)cc1 2329353444 ZWQXFKRENSKUKO-UHFFFAOYSA-N 445.386 5.142 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccccc3)n2N=Cc2ccccc2Cl)c1 2329892157 IMUYCEYMSBOCQK-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2N=Cc2ccccc2O)cc1 2330019698 VBYHCRZUICFRRF-UHFFFAOYSA-N 448.979 5.711 30 10 IKEE Cc1cccc(C=Nn2c(SCc3ccccc3F)nnc2[C@@H](C)c2ccccc2)c1 2330108420 FWIFSSGBVDXSKS-IBGZPJMESA-N 430.552 6.052 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccco1 2330149853 DZXJEUOSRXVVGB-HNNXBMFYSA-N 440.931 5.990 30 10 IKEE Cn1cccc1C=Nn1c(Cc2cccs2)nnc1SCc1ccc(Cl)cc1 2330422260 MSHXEISDRUAHBQ-UHFFFAOYSA-N 427.986 5.097 30 10 IKEE CCCSc1nnc(-c2ccccc2)n1N=Cc1cccc(OCc2ccccc2)c1 2330680216 DRXHZZBOQWBBAN-UHFFFAOYSA-N 428.561 5.908 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(N(C)C)cc3)c([N+](=O)[O-])c2)cc1 2330749949 MRSGGBFXOMVENN-UHFFFAOYSA-N 444.487 5.339 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(OC)c2)cc(OC)c1OC(=O)c1ccccc1F 2330798560 OKZQKPNZQWNYIG-UHFFFAOYSA-N 446.474 5.687 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2ccc(F)cc2)nnc1[C@H]1CCCO1 2330906244 XDQKNRHNRHFTBL-OAQYLSRUSA-N 438.528 5.008 30 10 IKEE CCc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2[C@@H]2CCCO2)cc1 2330986733 GOCOUGBUJKPNJQ-FQEVSTJZSA-N 426.973 5.520 30 10 IKEE CCCC(=O)Oc1c(OC)cc(C=CC(=O)c2cccc(Br)c2)cc1OC 2331000998 GQFSGYUUHXDHEZ-UHFFFAOYSA-N 433.298 5.068 30 10 IKEE COC(=O)c1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2C2CCCC2)cc1 2331033046 XYKMOQOUFWFQFE-UHFFFAOYSA-N 438.528 5.036 30 10 IKEE Fc1ccccc1C=Nn1c(SCc2c(Cl)cccc2Cl)nnc1C(F)(F)F 2331149658 RBJHCYNXOYAMPE-UHFFFAOYSA-N 449.260 5.917 30 10 IKEE FC(F)(F)c1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccccn1 2331156615 LHRUQGIEOHETRJ-UHFFFAOYSA-N 432.258 5.173 30 10 IKEE O=C(O)c1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2-c2ccco2)cc1 2331210557 NDGYSSKHYOVRCJ-UHFFFAOYSA-N 438.896 5.064 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2OC)c1 2331236603 KXKWWWLXIYBCQQ-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)CCOc3ccccc3)c([N+](=O)[O-])c2)c1 2331322745 LOKFZNXFNCTGPO-UHFFFAOYSA-N 445.471 5.482 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccc(CC)cc2)n1N=Cc1sccc1C 2331325287 GIDWFFLKTZMOAY-UHFFFAOYSA-N 441.626 5.166 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)CCOc1ccccc1 2331326691 KVKHSQFIQGMCKA-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)COc3c(C)cccc3C)cc2)c1 2331382151 CBDGUEHNPDDQPK-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccccc1O 2331411073 KHQXVOOZRPZUAA-UHFFFAOYSA-N 435.380 5.763 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc3ccccc23)cc(Cl)c1OC(=O)CCOC 2331474388 CSVPMDJISLJYCH-UHFFFAOYSA-N 438.907 5.730 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)c1ccccc1C 2331673173 JQCUKOQXNLPLHV-UHFFFAOYSA-N 430.500 5.744 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2C(C)C)cc1 2331688063 XYJCLBURWKDCET-UHFFFAOYSA-N 426.561 5.894 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)CCOc3ccccc3)c(Cl)c2)cc1C 2331706462 ULQQVOCYHXVDMJ-UHFFFAOYSA-N 434.919 6.227 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3)c(OC)c2)c(OC)c1 2331730051 NSEZINNFQCWUMF-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c(Cl)c2)cc1OC 2331834946 GCIYNVFOLBBGSU-UHFFFAOYSA-N 430.928 6.129 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1Cl)c1ccc(F)cc1 2331860019 HCDLJFYZCBXJER-UHFFFAOYSA-N 449.692 6.901 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(Oc2ccc(NC(=O)OC(C)(C)C)c(C)c2)n1 2337047652 JLGBQBKIRAIGJF-UHFFFAOYSA-N 440.349 5.137 30 10 IKEE CN[C@H](C#CC1CCC1)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2337416648 DKNSPXXPELIGIG-UHSQPCAPSA-N 441.571 5.270 30 10 IKEE COC1(C#CC(=O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCCC1 2338398690 FVCXJDMMDMJTHO-UHFFFAOYSA-N 440.539 5.990 30 10 IKEE Oc1c(Br)cc(Br)cc1/C=N\Cc1ccccc1C(F)(F)F 1396008 DOQQUUUNUVMQCC-WNFQYIGGSA-N 437.053 5.555 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1ccc2c(c1)O/C(=C/c1cccc(Cl)c1)C2=O 2410185 IYWSSMMBWIKISM-CIAFOILYSA-N 436.847 5.193 30 10 IKEE C=CCN1C(=O)[C@@H](C)Oc2ccc(NC(=O)CCCOc3ccc(Cl)cc3Cl)cc21 12081572 TXWLETNOBZHBNM-CQSZACIVSA-N 449.334 5.091 30 10 IKEE CCCCN1C(=O)/C(=C2\Sc3ccccc3N2CC)S/C1=N\[C@H](C)c1ccccc1 17860678 HVWLYJFUIWKEQN-VCUMIBGASA-N 437.634 6.280 30 10 IKEE O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1ccc([N+](=O)[O-])cc1)Nc1ccccc1N2 20885647 SMJGNOKPHVFSNP-NSYGIPOTSA-N 445.906 6.228 30 10 IKEE CC(C)COc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(C(C)(C)C)cc2)C3)cc1 21256035 FWQHCRIZJBHFTG-XUZZJYLKSA-N 445.603 6.023 30 10 IKEE COc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(C(C)(C)C)cc2)C3)cc1OC 21257333 UAKBEJKGRCFQFM-AZUAARDMSA-N 433.548 5.006 30 10 IKEE CCOc1ccc([C@H]2C3=C(C[C@H](c4ccc(Cl)cc4)CC3=O)Nc3onc(C)c32)cc1 28052170 AHLJQHUISPHXIK-GAJHUEQPSA-N 434.923 5.993 30 10 IKEE COc1ccc(COc2ccc3c(c2)O/C(=C\c2ccc(Br)cc2)C3=O)cc1 33514134 QMSRTDDKONQAJW-UUYOSTAYSA-N 437.289 5.653 30 10 IKEE Cc1ccc(-n2c(C)cc3c2CC(C)(C)C/C3=N\OC(=O)Nc2cccc(Cl)c2)cc1 39853118 UXCUOBNLDPRGLU-XAYXJRQQSA-N 435.955 6.673 30 10 IKEE N#Cc1nc(-c2ccccc2[N+](=O)[O-])oc1NC[C@H](c1ccccc1Cl)N1CCCC1 40374001 BCNPAJLXALETHL-HXUWFJFHSA-N 437.887 5.024 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4cc5ccccc5o4)c3C)C2=O)cc1 41352457 NEOAGXOVIOKZCD-UCQKPKSFSA-N 440.451 5.975 30 10 IKEE COCCN1C(=O)/C(=C/c2ccc(-c3ccc(C(C)=O)cc3)o2)S/C1=N\c1ccccc1 59396292 OIOFWBZESKJEDA-JTUXUYRKSA-N 446.528 5.400 30 10 IKEE C=CCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2c1sc(C(=O)O)c2-c1ccc(C)cc1 64795945 VSXIYFSKVCFGGJ-KRWDZBQOSA-N 449.528 5.469 30 10 IKEE Cc1ccc(N(CCC#N)C(=O)COC(=O)/C(=C\c2cccs2)c2cccs2)cc1 96481329 MBBWANXJSAHTNP-HKWRFOASSA-N 436.558 5.149 30 10 IKEE CCCCCCCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccccc2OCC)c1 98021394 RDTAJBYGPLLMLO-VWLOTQADSA-N 440.609 6.163 30 10 IKEE CCCCCCCOc1ccc(NC(=O)CNc2cccc(C(=O)N3CCCC3)c2)cc1 100110953 SLWXNZDCAJXOGP-UHFFFAOYSA-N 437.584 5.322 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1cccc(Cl)c1Cl 100443605 TUSIUYQDHKZTAW-UHFFFAOYSA-N 431.473 7.508 30 10 IKEE CCCCCCCCOc1ccc(/C=C2/SC(=S)N(c3ccc(F)cc3)C2=O)cc1 102445528 IYJHWIVRTSHFPC-OQKWZONESA-N 443.609 6.971 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)NCCc1ccc(OC)c(OC)c1 138423978 LJMCOEUTELAQFD-UHFFFAOYSA-N 447.704 7.624 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2ccccc2C)cc1 169926634 GSPOFPIICXWDLF-XMMPIXPASA-N 443.499 5.104 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccc(C)c1 169970492 QCKARWONSUNPHI-DEOSSOPVSA-N 439.467 5.533 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2cccc(C)c2)cc1 169972009 MOJJJYZRUQAWEX-RUZDIDTESA-N 441.527 5.399 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccccn2)cc1 169991817 RYTJLGCMHFMYAI-XMMPIXPASA-N 438.483 5.734 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccncc2)c1 170025558 YBXRFXFMOBYZQY-JOCHJYFZSA-N 432.907 5.130 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)ccc1F 170057859 YBSYFGNZZOZHBJ-OAQYLSRUSA-N 439.845 5.710 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2ccccc2OC)=C(N2CCCCC2)C1=O 170059647 QZXNOBCMRZBDIT-UHFFFAOYSA-N 426.601 5.402 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@H]2c2ccccc2C)cc1 170087580 OUMULEWCYONOPA-VWLOTQADSA-N 441.527 5.345 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)o1 170101810 KGHICYFGACKXKI-HXUWFJFHSA-N 442.298 5.986 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2sccc2C)cc1C 170106376 LZBVETCKZBQSEB-JOCHJYFZSA-N 445.540 5.391 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccn2)cc1C(C)C 170169791 RFOWFMZKXKJQHH-HSZRJFAPSA-N 446.478 5.136 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@@H]2c2cccnc2)cc1C 170186052 KGBCPHNRVRDZIX-XMMPIXPASA-N 442.515 5.134 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccco2)c1 170289452 MVZXWYWYRVEFPE-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cc4cc(Cl)ccc4o3)=C(O)C(=O)N2c2ccccc2O)o1 170301200 BROIUVQYJKEGCR-OAQYLSRUSA-N 449.846 5.476 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2sccc2C)cc1C 170317612 DKRWEPCWSRWKMF-FQEVSTJZSA-N 425.550 5.285 30 10 IKEE C=CCOc1cccc([C@@H]2C(C(=O)c3cc(C)c(OC)cc3C)=C(O)C(=O)N2CCCC)c1 170324208 YFXIFSDFGFWBDL-XMMPIXPASA-N 449.547 5.255 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 170380617 VYXLLCQYGHJGSJ-LJQANCHMSA-N 428.271 5.678 30 10 IKEE COc1ccc2c(c1)O/C(=C/c1ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc1)C2=O 210087690 CADZJEPKHICQRQ-BUVRLJJBSA-N 428.484 5.828 30 10 IKEE C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]12 250528443 RFCPTXGFYWKJJB-VKUYLFACSA-N 442.728 6.997 30 10 IKEE O=C(O)CSC1=NC(=Nc2cccc(Cl)c2)C2(CCCCC2)N1c1ccccc1 252609295 HQVFQXPJCCONTP-UHFFFAOYSA-N 427.957 5.767 30 10 IKEE Cc1cccc(C)c1N=C1S/C(=C/c2ccc(C(C)C)cc2)C(=O)N1c1ccccc1 252630643 VBXBPAYKTGQHJF-JKTGJUOXSA-N 426.585 7.235 30 10 IKEE C=CCOc1ccc(/C=C2\SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1 252642721 ZOXAJRNZBHQPAZ-SBEYKLCGSA-N 440.568 6.677 30 10 IKEE Cc1cccc(N=C2S/C(=C3\Sc4ccccc4N3C)C(=O)N2Cc2ccccc2)c1 254449958 JKAFXXMAVDDEAU-VUQCETKJSA-N 443.597 6.169 30 10 IKEE Oc1c(Cl)cc(Cl)cc1C=Nc1cc(C(F)(F)F)ccc1Oc1cccc(F)c1 254458222 RKAOJRQMZTWADG-UHFFFAOYSA-N 444.211 7.400 30 10 IKEE CCOc1cc([N+](=O)[O-])cc(C=Nc2ccc(O)c(-c3nc4cc(C)c(C)cc4o3)c2)c1O 254484901 RTPOXGDNAOTOOA-UHFFFAOYSA-N 447.447 5.580 30 10 IKEE CCSc1nnc(C(F)(F)F)n1N=Cc1ccc(COc2cccc(Cl)c2)o1 254740688 FWZNZNGVRZHARY-UHFFFAOYSA-N 430.839 5.117 30 10 IKEE CCOc1ccc(C=Nc2ccc(-c3ccc(N=Cc4ccc(OCC)cc4)cc3)cc2)cc1 254759565 OFNDXGZORJDPCN-UHFFFAOYSA-N 448.566 7.652 30 10 IKEE CC(C)N1C(=O)C(=Nc2sc3c(c2C(=O)NCc2ccco2)CCCC3)c2ccccc21 254765178 JEYCGKAETNYKFZ-UHFFFAOYSA-N 447.560 5.026 30 10 IKEE COCCN=c1scc(-c2ccc(Cl)cc2)n1N=C1CCCCc2ccccc21 254799154 URJQYXHNFOLVPX-UHFFFAOYSA-N 425.985 5.396 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1ccc(Br)c(Cl)c1F 407173654 ACUOONYISSLDKB-BBRMVZONSA-N 435.765 5.362 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)ccc1Br)NC 407860762 GUQMUGJXJTYCSN-IRXDYDNUSA-N 431.802 5.093 30 10 IKEE CCCCCOc1ccc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526605440 BXYAXVRQVXAZLP-DEOSSOPVSA-N 444.556 6.246 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2ccc(Cl)cc2Cl)[C@H]1c1cccc(O)c1 526608213 GVSDLKQOHBCCTD-OAQYLSRUSA-N 437.282 5.628 30 10 IKEE Cc1ccc(COc2ccccc2/C=N\n2c(C)nnc2SCc2ccccc2F)cc1 526803269 VJDHIIRGVYKBIS-DICXZTSXSA-N 446.551 5.788 30 10 IKEE CCOc1cc(/C=N\n2cnnc2SCc2c(F)cccc2Cl)ccc1OC(C)C 526817317 RRRLFJFCJIZEBJ-GATIEOLUSA-N 448.951 5.431 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccc(O)c(OC)c1 526821620 BQMLOZBNMBVVCZ-MYYYXRDXSA-N 432.549 5.273 30 10 IKEE COc1ccc(Cl)cc1S(=O)(=O)N(Cc1cccc(C#N)c1)c1ccc(C)c(C)c1 586258766 YQQSVFLKHRDGIJ-UHFFFAOYSA-N 440.952 5.233 30 10 IKEE Cc1cc(Cl)ccc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 698449946 ARUKIJMIFAMAGV-GOSISDBHSA-N 435.749 6.417 30 10 IKEE COCc1csc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)c1 698460473 ZPTZOIUBYNENAB-INIZCTEOSA-N 437.359 5.663 30 10 IKEE C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)c(C)cc2C)[n+]2cc(O)ccc2C)c1 726573555 JVLKFMGMBYUKEL-UHFFFAOYSA-O 429.565 5.218 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H](CNC(=O)OC(C)(C)C)C(C)C)c1 829354874 TUFOTLAJQSXLTF-VQTJNVASSA-N 447.576 5.126 30 10 IKEE O=C1C(=NN(Cc2ccccc2)c2ccccc2)c2ccccc2N1Cc1ccccc1F 1083964203 XFWHUWDUUQCORU-UHFFFAOYSA-N 435.502 5.783 30 10 IKEE O=C1C(=NN(Cc2ccccc2)c2ccccc2)c2ccccc2N1C/C=C\c1ccccc1 1084252550 SDWSFYNDOKFALP-ALGCFVKKSA-N 443.550 6.158 30 10 IKEE C[C@H]1CN(/C(=N/[C@H](C)CCc2ccccc2)Nc2cc(C(C)(C)C)ccc2O)C[C@H](C)N1 1088684480 YUYBKZWFAHWSPL-HKBOAZHASA-N 436.644 5.161 30 10 IKEE CC1=C/C(=N/OC(=O)c2ccccc2C)C(C(C)C)=C/C1=N/OC(=O)c1ccccc1C 1615897639 RVDOYTGDLALRSV-JTFGNLGHSA-N 430.504 5.572 30 10 IKEE Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)oc2c1C(=NNc1ccccc1)CC(C)(C)C2 1772728429 FCHIUWWUSMXAMR-KRWDZBQOSA-N 427.548 5.968 30 10 IKEE Cc1csc(N=C2S/C(=C\c3c(F)cccc3Cl)C(=O)N2c2ccccc2)n1 1772734999 DZJNAMQYMBLKLM-UTQUROFUSA-N 429.929 6.053 30 10 IKEE CC(C)(C)c1ccc(C=NN=C2NC(=O)[C@H](Cc3cccc(C(F)(F)F)c3)S2)cc1 1772742515 VPIGCBIMFXKSMK-SFHVURJKSA-N 433.499 5.167 30 10 IKEE COc1ccc2cc(C#N)c(SCC(=O)Nc3ccc(N4CCC(C)CC4)cc3)nc2c1 1858204780 QTLUGBLSHKFXRQ-UHFFFAOYSA-N 446.576 5.082 30 10 IKEE Cc1ccc(CCC(=O)Nc2cccc3c(OC(=O)Nc4ccccc4C#N)cccc23)cc1 1858775279 WKFIFFNZFVBGEF-UHFFFAOYSA-N 449.510 6.202 30 10 IKEE CCCCCCCCCOc1ccc(NC(=O)c2cc(OCC)cc(OCC)c2)cc1 1860158815 PYEUFESMIYZYJK-UHFFFAOYSA-N 427.585 6.866 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)c1ccc(=O)n(CC(C)C)c1 1861240336 VKNSLWONBZOGSL-QHCPKHFHSA-N 447.664 5.050 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2cccc(OCCC)c2)cc1 1862396465 DTOMSCDFVKIHNK-UQBPGWFLSA-N 449.591 6.195 30 10 IKEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1cccc2ccccc12)c1ccccc1Cl 1862435577 ZEIYIPLKLMABAL-HXOBKFHXSA-N 447.918 5.251 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCCC2)cc1 1862445719 BWXLICLYWKKZKQ-QHCPKHFHSA-N 437.967 6.374 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(C(C)(C)C)cc1 1862449125 CWWQWRMQACLUKP-OAQYLSRUSA-N 425.956 5.872 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(Cl)cc1Cl 1862467302 MYEBBEQZJXCPSU-KRWDZBQOSA-N 442.220 5.175 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(C(C)C)cc1 1862477013 HOIDLQMVLXRGCU-AREMUKBSSA-N 447.619 7.057 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc(Cl)cc2Cl)cc1 1862481510 BRBYBAWHQOMUHG-FQEVSTJZSA-N 432.347 5.926 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC(C)C)cc1 1862483075 UYHFSNUVYUHGRE-DEOSSOPVSA-N 435.564 5.798 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OCc2ccccc2)cc1 1862484333 OAYNFIVGLJTMKN-VWLOTQADSA-N 441.527 5.562 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC(C)C)cc1OC 1862487595 FGCNQKUTFFGOJG-QHCPKHFHSA-N 437.536 5.027 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2cc(C)ccc2C)c1 1862489590 CVGVAUJQOSOCHX-AREMUKBSSA-N 439.555 6.007 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862535462 ZVNGXWQIRFXDCP-WQWSHVPRSA-N 442.559 5.887 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2ccc(C(C)C)cc2)c1 1862595418 MESDRYVOEKUFMY-RUZDIDTESA-N 441.527 5.603 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C2CCCCCC2)c1 1862613406 HLCUCEWTQXVFOU-RUZDIDTESA-N 445.603 6.594 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(OCCC)cc1 1862622317 HLGRFZOUZVDAOW-XMMPIXPASA-N 449.591 6.151 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2cccc(C)c2)cc1F 1862636619 KRSRKWBSKJPBKE-QHCPKHFHSA-N 449.453 5.060 30 10 IKEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccc1Cl 1862651811 BIUDZICPNHMZOD-QHCPKHFHSA-N 448.950 5.023 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(Cl)cc2)[C@H]1c1cccc(F)c1)c1ccc(F)cc1 1862672354 BDAHUFHDQRJKTN-NRFANRHFSA-N 439.845 5.397 30 10 IKEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2ccccc2C)cc1 1862732549 ILZLGXNCRDZBRR-VWLOTQADSA-N 449.591 6.333 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(C(C)C)c(C)c3)C2=O)cc1C 1862881106 WWOQKZWHGYIPFK-UHFFFAOYSA-N 449.554 6.004 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(OC(C)C)cc3)C2=O)cc1 1862890556 XCOKHRHDJNMJFF-UHFFFAOYSA-N 437.499 5.051 30 10 IKEE CC(C)c1ccc(NC2=C(c3ccccc3Cl)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1863076738 XTZVKINLHLZOCO-UHFFFAOYSA-N 441.918 5.732 30 10 IKEE CC(C)CCN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2cc(Cl)ccc2Cl)C1=O 1863387436 IFBGGSKPWXIZFC-UHFFFAOYSA-N 428.319 5.103 30 10 IKEE N#Cc1cccc(NC2=C(c3cc(Cl)ccc3Cl)C(=O)N(C3CCCCC3)C2=O)c1 1863388503 RHXLVXHHQYUBIT-UHFFFAOYSA-N 440.330 5.390 30 10 IKEE Cc1ccccc1-c1nc(Nc2ccccc2C#N)cc(N2CCN(CC(C)(C)C)CC2)n1 1868307753 UGSFJDOOQKKZHV-UHFFFAOYSA-N 440.595 5.235 30 10 IKEE C=CCN(CC=C)c1cc(N(Cc2cccnc2)c2cccc(C)c2)nc(-c2ccccc2)n1 1869207240 YWKLCRVLZCURDM-UHFFFAOYSA-N 447.586 6.364 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)c(Cl)c2)c(=O)cc1CN1C[C@H](C)C[C@@H](C)C1 1870404530 MDEVUBSJLWTSSJ-IAGOWNOFSA-N 435.395 5.398 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc(Cl)c2)cn1Cc1ccc(C)cc1 1870408207 LYLBHBSBHNTWFR-UHFFFAOYSA-N 448.994 5.611 30 10 IKEE CCCCCCCOc1cn(Cc2cccnc2)c(CN2CCc3ccccc3C2)cc1=O 1870411106 TZQKJNJHVSIBHW-UHFFFAOYSA-N 445.607 5.199 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCOc2ccc(Cl)cc2)cn1CCC(C)C 1870456893 PTTMSOZAOQNDOO-UHFFFAOYSA-N 445.003 5.180 30 10 IKEE CCCCCCCCn1cc(OCC)c(=O)cc1CNc1ccc(-c2ccccc2C)cc1 1870788859 ZGHAEDUCJGQKDT-UHFFFAOYSA-N 446.635 7.195 30 10 IKEE C=CCOc1cn(CCCOC(C)C)c(CNc2cc(C(C)C)cc(C(C)C)c2)cc1=O 1870813174 ZYBIXNNBRCSYPL-UHFFFAOYSA-N 440.628 6.087 30 10 IKEE CCCCCCCOc1cn(CCC2=CCCCC2)c(CNc2cccc(F)c2)cc1=O 1870838694 PLQKMTBJAGHPLP-UHFFFAOYSA-N 440.603 6.839 30 10 IKEE C=CCn1cc(OCc2ccc(CC)cc2)c(=O)cc1CNc1ccc(Cl)c(Cl)c1 1870890375 UNJYLBGPDVACIH-UHFFFAOYSA-N 443.374 6.095 30 10 IKEE CCCCCCCCN=c1[nH]c(Nc2ccc(Nc3ccccc3)cc2)ncc1[N+](=O)[O-] 1871308078 OTWJSWALYONCPV-UHFFFAOYSA-N 434.544 6.066 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(OC(C)=O)cc4)ccc3C2=O)cc1 1871382321 UBXBVRITFRUUTO-OYKKKHCWSA-N 428.440 5.010 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccc(C)o1)C2=O 1871402207 SHQNZHKUBYUZNT-NLKUQUHMSA-N 445.515 5.789 30 10 IKEE CCCCCCCCCOc1ccc2c(=O)c(-c3ccc(OC)c(OC)c3)c(C)oc2c1 1871429995 XRLGWFCLZVDYLK-UHFFFAOYSA-N 438.564 6.915 30 10 IKEE CCOC(=O)c1ccc(COc2cc(C)c3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)o1 1871439214 ODNKGUJKZSANEA-CFRMEGHHSA-N 446.499 6.083 30 10 IKEE CCOC(=O)c1ccc(COc2ccc3c(c2C)O/C(=C\c2ccc(OCC)cc2)C3=O)o1 1871439235 ORUVRYAHSZIKCN-UCQKPKSFSA-N 448.471 5.359 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871450677 MVOJWTJOVIDSGV-MQKZQLNTSA-N 445.490 5.973 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc5ccccc45)ccc3C2=O)cc1 1871452659 LUCSGQVCOQWRLH-YUMHPJSZSA-N 449.506 6.036 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(C)c(C)c2)[nH]c(N2C[C@@H](C)C[C@@H](C)C2)n1 1871526115 FLKZRPWANVSWHS-BGYRXZFFSA-N 438.664 5.909 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccccc1C)[C@@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872441348 NKVXOFYDNOXTPQ-CYFREDJKSA-N 442.625 5.232 30 10 IKEE C=CCN([C@H](CC(C)C)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1 1872453530 ULPZNZFIEZFJSO-JOCHJYFZSA-N 449.016 5.187 30 10 IKEE Cc1c(C(=O)[C@H](C#N)c2nc(-c3cccc(Cl)c3)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1872767142 SZSUSPAHSCMKHY-HNNXBMFYSA-N 442.840 5.078 30 10 IKEE COc1ccc(OC)c(-c2csc([C@@H](C#N)C(=O)c3cccc(OCC(C)C)c3)n2)c1 1872771143 NAHXDJAYIITJRL-FQEVSTJZSA-N 436.533 5.352 30 10 IKEE CCCc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3cccc4ccccc34)cs2)cc1 1872775345 OGHOKCDEXPSEFI-HSZRJFAPSA-N 426.541 6.171 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3c[nH]c4ccccc34)n2)c2ccccc12 1872787715 PYEZHHPLOSEYKN-OAQYLSRUSA-N 437.524 5.872 30 10 IKEE CCCCCCCCN1C(=O)C(NC2CCCCCCC2)=C(c2cc(F)cc(F)c2)C1=O 1873112792 CCGIKIVVZUYQNQ-UHFFFAOYSA-N 446.582 6.108 30 10 IKEE CCCc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2)cc1 1874258343 WFLBUMINOQVDTA-OVVQPSECSA-N 442.588 5.984 30 10 IKEE Cc1ccccc1CSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccncc1 1874262845 SVYVAIYZQBKMOR-VULFUBBASA-N 449.967 5.388 30 10 IKEE Clc1ccc(CCc2nnc(SCc3ccccc3)n2/N=C/c2ccccn2)cc1 1874283002 KVWZPUSXCXAACG-WGOQTCKBSA-N 433.968 5.286 30 10 IKEE C=C(C)CSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1ccc(N(C)C)cc1 1874288193 RPYHTVCOJYNUMR-YZSQISJMSA-N 439.673 6.359 30 10 IKEE CCCSc1nnc(COc2c(C)cccc2C)n1/N=C/c1ccc(C(C)(C)C)cc1 1874300121 JBVQDIHXGMSMFQ-WGOQTCKBSA-N 436.625 6.156 30 10 IKEE Fc1ccc(CSc2nnc(Cc3ccc(Cl)cc3)n2/N=C/c2ccncc2)cc1 1874336124 CHPQEJUMBYZIRC-VULFUBBASA-N 437.931 5.231 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1ccc(N(CC)CC)cc1 1874358268 XZTDLOGOYZMCBP-WPWMEQJKSA-N 447.652 5.882 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(C)c3)n2/N=C/c2ccc(F)cc2F)cc1 1874388391 JWZLKLSJHTXVPW-RWPZCVJISA-N 448.542 5.938 30 10 IKEE CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874391426 GZAPQNPTTVSSHD-OJWZXOLNSA-N 428.561 5.613 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2Cl)n1/N=C/c1ccccn1 1874395371 LBQMHOWDRYSUBK-CIRUFVMISA-N 433.968 5.653 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874402709 KJKYUMPVTCGMFL-YDZHTSKRSA-N 441.944 5.175 30 10 IKEE Cc1ccc(CSc2nnc(Cc3cccs3)n2/N=C/c2cccc(Cl)c2)cc1 1874411527 YAGVWOQLIRZIDC-ZVHZXABRSA-N 439.009 6.067 30 10 IKEE C=C(C)CSc1nnc(Cc2cccs2)n1/N=C/c1ccc(OCCCC)cc1 1874412423 NTARGLOUFQRHDE-HZHRSRAPSA-N 426.611 5.660 30 10 IKEE Oc1ccccc1/C=N/n1c(SCc2ccc(Cl)c(Cl)c2)nnc1[C@H]1CCCO1 1874451348 XGIHYSLKXZJYCF-TYLRVVQJSA-N 449.363 5.317 30 10 IKEE CCOc1cc(/C=N/n2c(SCc3ccc(C)cc3)nnc2C2CCCC2)ccc1O 1874452432 VKIIVKGDIKSEJX-MFKUBSTISA-N 436.581 5.523 30 10 IKEE COc1cccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2-c2ccco2)c1 1874469230 UHCOSONZOOARLD-WYMPLXKRSA-N 442.903 5.514 30 10 IKEE Cc1ccccc1/C=N/n1c(SCC(=O)Nc2c(C)cccc2C)nnc1C(C)(C)C 1874482156 KVWFSFUCBWLFOA-AFUMVMLFSA-N 435.597 5.114 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2ccc(Cl)cc2)cc1 1874489223 GXQJJDNCJPWYSZ-ZMOGYAJESA-N 441.988 5.051 30 10 IKEE CCCOc1c(/C=N/n2c(S)nnc2CC23CC4CC(CC(C4)C2)C3)cccc1OC 1874567434 XKZKLAWZWWKYGH-MFKUBSTISA-N 440.613 5.005 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 1874571246 DAWPDGIIDYOYGB-UXBLZVDNSA-N 428.271 6.377 30 10 IKEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(F)cc1)Nc1ccccc1F 1874584021 RSBYKPRILFSVLJ-YRNVUSSQSA-N 427.834 5.532 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2c(OCC(=O)OC)ccc3ccccc23)c1 1874587708 ZZYINJCBIXLWAY-OUKQBFOZSA-N 434.488 5.085 30 10 IKEE O=C(COc1cccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c1)Nc1nccs1 1874592798 CGEURSWEAGQCIU-NTEUORMPSA-N 440.524 5.724 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3cc(C)ccc3C)c2)cc1 1874595993 DOAPIHWSEXVCQX-XNTDXEJSSA-N 429.516 5.616 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc(F)c2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 1874605770 FMAYTWKGQBQPEJ-XBXARRHUSA-N 446.261 6.516 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Br)c(OC)c(Br)c1 1874610251 JBRXLNJAGGEQDQ-BQYQJAHWSA-N 426.104 5.125 30 10 IKEE C=C(C)COc1c(Br)cc(/C=C/C(=O)c2cccc(Cl)c2)cc1OCC 1874613530 ZESVBDMZTZPIJZ-CMDGGOBGSA-N 435.745 6.352 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OCC(=O)NCc1ccccc1 1874620289 RWPSNLMULVGVBD-UKTHLTGXSA-N 447.506 5.124 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OCCc1ccccc1 1874622082 LAIJWFDXZXRZBK-XNTDXEJSSA-N 448.990 7.164 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OCc1ccccc1 1874622580 KHXSSSVPQIUXDQ-LFIBNONCSA-N 448.990 7.511 30 10 IKEE CCCOC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1OC 1874628016 IDBYWTBNSAHULJ-VQHVLOKHSA-N 446.927 5.202 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OCc3ccccc3F)c([N+](=O)[O-])c2)c1C 1874629360 ZCYMVOSEGYRZJX-PKNBQFBNSA-N 433.479 6.443 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c(OC)c1 1874633180 PIILNYRQOOQWFF-WUXMJOGZSA-N 443.326 6.486 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc(Cl)c1OCCCO 1874634582 JTDLJLBKDPYAOS-VOTSOKGWSA-N 439.335 5.366 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OC(=O)Cc1ccc(F)cc1F 1874699432 VIFKNNSKLUWIHY-WEVVVXLNSA-N 442.845 5.671 30 10 IKEE CCCCC1CCC(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(F)cc3F)c2)CC1 1874699754 LNFUSOIXCNMFQV-XNTDXEJSSA-N 426.503 6.763 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccccc2-c2ccccc2)c1)c1ccc(Cl)cc1 1874701053 ZHESSFXYKMRQAT-QGOAFFKASA-N 438.910 7.122 30 10 IKEE Cc1cc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(F)cc3)c2)cc(C)c1Cl 1874708848 XWHWXRQPKDOWHQ-IZZDOVSWSA-N 438.882 5.976 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc1OC(=O)c1cccc(F)c1 1874718614 SBNMJVMITUEAHS-RMKNXTFCSA-N 440.854 5.612 30 10 IKEE O=C(CCOc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1 1875080324 JZGJDPUGTOJNCL-DEDYPNTBSA-N 448.518 6.624 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C2CCCC2)c(Br)c1)c1ccc2ccccc2c1 1875095284 IPCUUMBLOWAGAW-UKTHLTGXSA-N 449.344 6.594 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cc(Cl)ccc3Cl)cc2)c1 1875101864 SNDNRRWUVBHTBJ-KPKJPENVSA-N 441.310 6.046 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(Br)cc2)cc1OC 1875108871 KNBNROWKUUETIV-BJMVGYQFSA-N 437.717 5.713 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OC(=O)c1cccc(Cl)c1 1875114929 DQUDQHKLQODPKD-NTUHNPAUSA-N 436.891 5.863 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(OC)c1OC(=O)c1cncc(C)c1 1875115091 LWUQNODRPDFQPK-KPKJPENVSA-N 443.499 5.251 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)Cc1cccs1 1875123114 BEIIXKUKOXWAQE-CMDGGOBGSA-N 442.920 5.463 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc([N+](=O)[O-])c1OC(=O)CC(C)(C)C 1875126582 OQHAJPSMPZCKOE-IZZDOVSWSA-N 445.899 5.885 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OC(=O)COCc1ccccc1 1875127772 XGDCCAKSTNZDGQ-OUKQBFOZSA-N 436.891 5.367 30 10 IKEE COc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2OC)cc1 1875134560 YJRKFBWAFUBERJ-AWNIVKPZSA-N 446.499 5.201 30 10 IKEE Cc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2Br)c1 1875158327 PZDSMLZCZAZBSB-VZUCSPMQSA-N 439.280 6.012 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)c1cccc(F)c1 1875166541 LOICVCVSJWMKJC-DHZHZOJOSA-N 434.463 5.575 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)ccc1OC(=O)C(F)(F)F 1875181539 LCAPCSXEIFBXMR-GQCTYLIASA-N 428.790 5.029 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc(OC)c1OC(=O)C(F)(F)F 1875189649 AJTKPJUQGQBNOL-CMDGGOBGSA-N 448.437 5.413 30 10 IKEE N#Cc1ccc(NC(=O)c2ccc(C3CCN(C(=O)OCc4ccccc4)CC3)cc2)cc1 1892393800 BRSCQAQNBUFECC-UHFFFAOYSA-N 439.515 5.327 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@]1(C#N)CN(Cc2ccccc2)C2(CCC2)C1 1949701946 NARBCTLGMVIRSL-RUZDIDTESA-N 437.609 5.576 30 10 IKEE O=C(N[C@@H](C=C1CCC(C(=O)O)CC1)CS)OCC1c2ccccc2-c2ccccc21 1952204192 HYMUASCDJMWIHP-ZVAWYAOSSA-N 437.561 5.025 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1982205470 NKFARTWNDRRALP-OYHNWAKOSA-N 435.952 5.279 30 10 IKEE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCC#N)C(C)(C)C 1984691415 ZDNAIJMVTVRVMV-DEOSSOPVSA-N 447.579 5.090 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@]1(C#N)CCCN(Cc2ccccc2)CC1 1997811246 CYXMRJSIKLTFPV-RUZDIDTESA-N 439.987 6.030 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)C1 2004675392 VRSVXJMJRPQTKE-GOTSBHOMSA-N 430.633 5.411 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2037769242 WUQDROANEVSMHO-DEOSSOPVSA-N 445.560 5.118 30 10 IKEE Cc1ccc([C@@H](C2CCC2)n2nc(C3CCC3)c(C#N)c2I)c(O)c1 2079005830 QLKMIAFSRDOMKC-LJQANCHMSA-N 447.320 5.030 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@@]1(CNC(=O)OC(C)(C)C)C[C@H]2CC[C@H]1C2)NC 2217253924 RUMMSOLTNBBDHH-OHTANWTRSA-N 428.617 5.069 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)[C@](C)(NC(=O)OC(C)(C)C)C(C)(C)C 2235744992 APVIAWFKIHKQBU-GCJKJVERSA-N 437.422 5.108 30 10 IKEE CCCCCCCC[C@](C)(CO)N(C(=O)OCc1ccccc1)c1ccc(Cl)cc1 2240560995 OWLJHNYYPHEOGY-RUZDIDTESA-N 432.004 6.985 30 10 IKEE CCC(C#N)(CC)NC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2243924190 CQYRECDHXSVBFZ-DEOSSOPVSA-N 447.579 5.138 30 10 IKEE C=C(C)CCCC[C@@H](NC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2259164488 QWHDBFIEUFMANR-HHHXNRCGSA-N 429.604 7.242 30 10 IKEE Cc1cc(C)c(Oc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)cc1NC(=O)OC(C)(C)C 2265989154 UKPFEDLUYAAAPJ-UHFFFAOYSA-N 440.349 5.137 30 10 IKEE C=CC[C@]1(COc2cc(F)cc(Br)c2N)CCCCN1C(=O)OC(C)(C)C 2287705759 IXXUTXQEUBRHJY-HXUWFJFHSA-N 443.357 5.285 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)CC[C@H](C)CNC(=O)OC(C)(C)C 2296286519 MERUOERIJMOVGI-FXAWDEMLSA-N 437.422 5.110 30 10 IKEE Cc1ccc2nc(N3C(=O)C(=O)C(=C(O)c4ccc(F)cc4)[C@H]3c3ccccc3)sc2c1 2296930165 DDQXZYQKEWLMJM-OAQYLSRUSA-N 444.487 5.370 30 10 IKEE C=CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)N(c4ccc(F)cc4)N=C3C)o2)cc1 2297349306 KDKUDKHEJXMNLI-UHFFFAOYSA-N 430.435 5.235 30 10 IKEE CC=COc1ccc(C(=O)C(=Cc2ccc(OCCC)cc2)c2nc3ccccc3o2)cc1 2297748448 NHXYJGNGNZQUMD-UHFFFAOYSA-N 439.511 6.953 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 2298495907 GXFXTYZPSWAELF-MDWCYVBFSA-N 433.593 5.142 30 10 IKEE C=C(C)C[C@H](NCCC)c1sc(Br)c(Br)c1Br 2302871164 HKZUUBOUEREGAM-QMMMGPOBSA-N 446.046 6.043 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3)cc2C=CC(=O)c2cccc(NC(C)=O)c2)cc1 2314523141 KHBXUYNOVHDZBE-UHFFFAOYSA-N 437.499 5.402 30 10 IKEE Cc1occc1C(=O)Nc1cccc(C(=O)C=Cc2c[nH]nc2-c2cccc([N+](=O)[O-])c2)c1 2314523297 PVGVXEPCJPFWNE-UHFFFAOYSA-N 442.431 5.035 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](N)c2cc(Cl)cc(Br)c2F)C1 2315452570 DKFNFJPEAIMTQQ-HNNXBMFYSA-N 433.749 5.103 30 10 IKEE CCc1nnc(SCC(=O)Nc2cccc(C)c2)n1N=Cc1c(Cl)cccc1Cl 2320961423 JVNNDKBLNOWFEE-UHFFFAOYSA-N 448.379 5.069 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(S)nnc2COc2ccc(Cl)cc2Cl)cc1 2322260146 HORDSRYVSOZICZ-UHFFFAOYSA-N 435.380 5.632 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(Cl)cc(OC)c1OCc1cccc(F)c1 2322643116 RBMBXIOXBRHDTN-UHFFFAOYSA-N 440.898 6.280 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2c(C)cc(C)cc2C)c1OCCc1ccccc1 2322948765 NRDYSGXGIQUBQP-UHFFFAOYSA-N 434.963 6.791 30 10 IKEE Cc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc2c1C(=O)C(=Cc1cccc(Cl)c1)O2 2323141691 HNSRVHGBZVRJGZ-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)c4ccc([N+](=O)[O-])c(C)c4)ccc3C2=O)cc1 2323279518 VDWNWKUCEVGDIN-UHFFFAOYSA-N 429.428 5.301 30 10 IKEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1cccc(F)c1 2323370736 KMZUKGIYPREMNZ-UHFFFAOYSA-N 437.423 5.226 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)ccc1OCC(=O)Nc1ccc(F)cc1 2323503377 POEYVHQFEZRRMR-UHFFFAOYSA-N 449.478 5.147 30 10 IKEE COc1cc(C=C2CN(Cc3ccccc3)CCC2=O)ccc1OCc1ccc(C)cc1 2323865913 RDDDKHVWTNGDID-UHFFFAOYSA-N 427.544 5.441 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)c1 2323890099 DJKDQHLFMMQZIX-UHFFFAOYSA-N 448.858 5.491 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(C)cc2)C3=O)c1 2323895982 WQNVABWBDCLFQR-UHFFFAOYSA-N 442.467 5.454 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc3ccccc23)c(Cl)c1)c1ccc2c(c1)OCO2 2324084448 LGWFCASNCMUBGQ-UHFFFAOYSA-N 442.898 6.697 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OCc1ccc(F)cc1 2324234591 VGZSCQDXWPGPDX-UHFFFAOYSA-N 448.534 6.616 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OCc1ccc(F)cc1 2324335645 WHUUYGGZHKYUSQ-UHFFFAOYSA-N 448.534 6.552 30 10 IKEE N#C[C@H](C(=O)C=Cc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2324395099 YDYFQXAZANFQEZ-MRXNPFEDSA-N 444.299 5.915 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(O[C@H](C)C(=O)Nc4ccccc4)c3C)C2=O)cc1 2324405738 SXFYWQBPTIVBMV-GOSISDBHSA-N 427.500 5.580 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccco1)C2=O 2324514608 PPIBPPVEGCOSIE-HNNXBMFYSA-N 437.879 5.572 30 10 IKEE CCOc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2cccc(C)c2)C3=O)cc1 2324521560 QBIIVCRPNBDDPL-SFHVURJKSA-N 443.499 5.416 30 10 IKEE Cc1ccc(OCCCOc2ccc3c(c2C)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1 2324547676 RFBLNWKSJCJOJH-UHFFFAOYSA-N 442.555 6.891 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1ccc2c(c1C)OC(=Cc1cccs1)C2=O 2325092774 IZGJKEGUWZRDTJ-LJQANCHMSA-N 428.550 5.954 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)Nc2ccc(C#N)cc2)cc2c1C(=O)C(=Cc1ccccc1F)O2 2325302031 JLSSAFPWKGEQBU-INIZCTEOSA-N 442.446 5.028 30 10 IKEE CCOc1ccc(C=Nn2cnnc2SCc2c(F)cccc2Cl)cc1OCC 2325669220 WTGIJHNZZTXQQL-UHFFFAOYSA-N 434.924 5.043 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)CCCC4)c2)cc1 2325701909 AIEWCDRRIWKCHT-UHFFFAOYSA-N 440.495 5.606 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2)cc1 2325704625 DETJDEMROZSCOL-UHFFFAOYSA-N 445.471 5.590 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)CC34CC5CC(CC(C5)C3)C4)c2)cc1C 2325715045 TWRPJDRSZUESFA-UHFFFAOYSA-N 444.571 6.412 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OC(=O)CCCOc1ccc(C)cc1 2325737620 GXZYSVLCURZNSB-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE O=C(CCCOc1ccccc1)Oc1cccc(C=CC(=O)c2cccc3ccccc23)c1 2325749967 COOOYSMMHBHGNU-UHFFFAOYSA-N 436.507 6.501 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2cccc(OC(=O)COc3cc(F)ccc3F)c2)cc1 2325750785 HSOCUBXXTPWBEB-UHFFFAOYSA-N 436.454 5.969 30 10 IKEE CCCc1nnc(SCc2ccccc2)n1N=Cc1ccc(OC)c(Br)c1 2326220381 PLHFUDQSQUDRGC-UHFFFAOYSA-N 445.386 5.176 30 10 IKEE CCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1c(F)cccc1Cl 2326331432 BKUDDOROQAPHHK-UHFFFAOYSA-N 445.007 6.495 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1ccc(OCC)c(Cl)c1 2326414616 PFNPSTWBUJNICA-UHFFFAOYSA-N 443.016 6.074 30 10 IKEE C=CCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1ccc(C(C)C)cc1 2327019617 UHYFGRPSKORNHA-UHFFFAOYSA-N 434.609 5.882 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccccn1 2328021368 URZSLDUTLFOURG-UHFFFAOYSA-N 447.995 5.595 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2N=Cc2ccccc2OC(C)C)CC1 2328179859 JAAMOTYVBCZTLN-UHFFFAOYSA-N 442.673 6.914 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2N=Cc2cccc(OC)c2OC)CC1 2328180554 IIBQPSSIXOLAIY-UHFFFAOYSA-N 444.645 6.144 30 10 IKEE CCCCC1CCC(c2nnc(SCC(=O)OCCC)n2N=Cc2cccs2)CC1 2328210641 KBAMPMKQHBJDAF-UHFFFAOYSA-N 448.658 5.731 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc(OC)c2)n1N=Cc1ccc(Cl)cc1 2328636592 PAMCOLLWYFFSAX-UHFFFAOYSA-N 426.973 5.276 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2ccncc2)c(C)c1 2328897818 JUBRCPKQMYWIAQ-UHFFFAOYSA-N 429.549 5.043 30 10 IKEE CCCSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1cc(OC)ccc1OC 2328962682 ZXIHKCDZFXBJAA-UHFFFAOYSA-N 438.597 5.082 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1cc(OC)ccc1OC 2329421913 BVNGXWJXCJILAO-UHFFFAOYSA-N 436.581 5.053 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccccc2F)n1N=Cc1cccc(O)c1 2329712866 XUDAEYHJTQLHRY-UHFFFAOYSA-N 432.524 5.197 30 10 IKEE Fc1ccc(C=Nn2c(COc3ccccc3)nnc2SCc2ccccc2F)cc1 2329918885 BIJYLHWMMZZALQ-UHFFFAOYSA-N 436.487 5.310 30 10 IKEE CCCSc1nnc(Cc2ccc(C)cc2)n1N=Cc1c(OC)ccc2ccccc12 2330015433 GQOPWISDAZDNLY-UHFFFAOYSA-N 430.577 5.723 30 10 IKEE Oc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCCc2ccccc2)cc1O 2330275785 AYACPNLFTVISHK-UHFFFAOYSA-N 436.581 5.029 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2cccs2)n1N=Cc1cccc(Cl)c1 2330335035 AMNRLTBZEUMWOP-UHFFFAOYSA-N 439.009 6.067 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccnc2)c(Cl)c1)c1ccc(-c2ccccc2)cc1 2330597239 KBWPQDGDWXVIDP-UHFFFAOYSA-N 439.898 6.517 30 10 IKEE Oc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2-c2cccs2)cc1 2330620196 CLFKNMYSBCTGPB-UHFFFAOYSA-N 444.944 5.679 30 10 IKEE COc1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2-c2ccccc2)c(OC)c1 2330651408 TYGJYZWSSQCIID-UHFFFAOYSA-N 448.523 5.276 30 10 IKEE CCCOc1cccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccc(C)cc2)c1 2330801379 NMBTWNGQKWLJEQ-UHFFFAOYSA-N 436.625 6.138 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)CC(C)(C)C 2330935482 XDCUMVSEEQGIBH-UHFFFAOYSA-N 435.347 6.630 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)cc2)cc(OC)c1OC(=O)CCCSC 2330989856 NVKVAWSFKWKKDO-UHFFFAOYSA-N 440.561 5.377 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2c(F)cccc2Cl)nnc1[C@@H]1CCCO1 2331007326 GBMUGLWUBQYWCZ-IBGZPJMESA-N 430.936 5.405 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCCC3)n2N=Cc2ccc(N(C)C)cc2)c1 2331072102 TYIDUWVDHGVFGH-UHFFFAOYSA-N 433.625 5.793 30 10 IKEE CN(C)c1ccc(C(=O)Oc2ccc(C=CC(=O)c3cccc(Cl)c3)cc2Cl)cc1 2331123308 FYXLWROYSCVVRA-UHFFFAOYSA-N 440.326 6.175 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCc3cccc(Cl)c3)nnc2C(F)(F)F)c1 2331155052 PEJMGGSQEONELX-UHFFFAOYSA-N 426.851 5.139 30 10 IKEE Cc1cccc(C=Nn2c(SCC(=O)Nc3c(C)cccc3C)nnc2-c2ccco2)c1 2331200709 QYCGVZBZBPYOJF-UHFFFAOYSA-N 445.548 5.076 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(-c2ccccc2)cc1 2331293251 NDUAPLHMNNKQJU-UHFFFAOYSA-N 448.518 6.786 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)c1cccnc1 2331323696 WJJCLGDNZLIUIN-UHFFFAOYSA-N 435.907 5.866 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)c1cccc(OC)c1 2331326746 OZJHIKPFBKQHCY-UHFFFAOYSA-N 430.500 5.826 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(Cl)c2)ccc1F 2331337211 JAUUMJLPDZHKEP-UHFFFAOYSA-N 439.826 5.811 30 10 IKEE Cc1cccc(C)c1OCC(=O)Oc1ccc(C=CC(=O)c2ccc(F)cc2)cc1Cl 2331523246 KPFPEMSPIGCPSU-UHFFFAOYSA-N 438.882 5.976 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(C3CC3)n2N=Cc2cccc(Cl)c2)c1 2331717443 QBWNFQPNGKOYIT-UHFFFAOYSA-N 439.972 5.039 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)C1CCCC1 2331770683 CWHVVNOYBZRONS-UHFFFAOYSA-N 440.967 6.656 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1OC 2331859050 BUWFCTXOVRZULH-UHFFFAOYSA-N 441.738 6.647 30 10 IKEE C[C@@H](Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)c1nscc1Br 2365052119 JWLPYGBAKAKKBO-GFCCVEGCSA-N 436.184 5.118 30 10 IKEE CCOC(=O)C1=C(Nc2cccc3ccccc23)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O 2899883 SIRXDYNIRYLIBD-XSFVSMFZSA-N 446.484 5.292 30 10 IKEE O=C(/C=C\Nc1ccc(Cl)cc1F)c1ccc(OCc2c(F)cccc2Cl)cc1 8781779 IAXGGQMDCTZXJU-KHPPLWFESA-N 434.269 6.659 30 10 IKEE C=CCOc1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(OCC=C)c3)cc2)c1 8905217 WFWRCXPQVLFMGG-UHFFFAOYSA-N 428.488 5.321 30 10 IKEE C=CCSC1=N/C(=C\c2ccc(OC)cc2OC)C(=O)N1c1ccc(F)c(Cl)c1 20152171 ZJUJBIUOAOEXMO-ZDLGFXPLSA-N 432.904 5.159 30 10 IKEE CC(C)Oc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(OC(C)C)cc2)cc1 21225005 YKQGRJIYAIKREF-REWPJTCUSA-N 433.548 5.265 30 10 IKEE O=C1C[C@H](c2cccc3ccccc23)C2=C(C[C@@H](c3ccc(Cl)c(Cl)c3)CC2=O)N1 21226820 OEGXJZBQQFFILZ-VQIMIIECSA-N 436.338 6.151 30 10 IKEE C=C(C)CN/C(S)=C(/C(=O)c1cccc(Br)c1)[n+]1ccc(C(C)(C)C)cc1 22795963 LUZZJGBRLJEGLN-UHFFFAOYSA-O 446.434 5.139 30 10 IKEE Cc1ccc(C)c(N/C(S)=C(/C(=O)c2ccc(OC(F)F)cc2)[n+]2cccc(C)c2)c1 28780288 IWZMROWMTJNMJS-UHFFFAOYSA-O 441.523 5.552 30 10 IKEE Cc1nn(C)c(C)c1CN/C(=N/C(=O)c1ccccc1Cl)Nc1ccc(C(C)C)cc1 32972633 VCLAUTLGADWFIE-UHFFFAOYSA-N 437.975 5.212 30 10 IKEE CCOc1cccc(/C=N\Nc2ncnc3sc4c(c23)C[C@@H](C(C)(C)CC)CC4)c1O 33097081 JOJIOOVINFSSSJ-LNLSZRECSA-N 438.597 5.783 30 10 IKEE Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C/c2cc(C)n(-c3ccc(C#N)cc3)c2C)S1 34889753 UZZCPPWEQNVDDW-UUYOSTAYSA-N 446.963 5.819 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(N(C)C)cc1)O3)CN(Cc1ccccc1)CO2 41651692 QRMKFBQSROWUIJ-OYKKKHCWSA-N 426.516 5.029 30 10 IKEE Oc1cccc(/C=N/c2ccc(Oc3ccc(/N=C/c4cccc(O)c4O)cc3)cc2)c1O 59458896 IGHMQFDCTMBJCZ-DPCVLPDWSA-N 440.455 5.803 30 10 IKEE CCCCCCCOc1ccc(C(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)cc1 59926423 POFGPJKQEZAIDJ-UHFFFAOYSA-N 444.575 6.218 30 10 IKEE C=C(C)COc1ccc(NC(=O)CNc2cccc(C(=O)N[C@@H](C)c3ccccc3)c2)cc1 66096864 ARBIPNSNBLGBEX-FQEVSTJZSA-N 443.547 5.183 30 10 IKEE CCCCCCCCCCOc1ccc(C2=N/C(=C\c3ccccc3OCC)C(=O)O2)cc1 97997733 OXJBWHBJWNQFBL-DAFNUICNSA-N 449.591 6.949 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(Nc2ccncc2)c1N 101503027 QOEINTPPYPCNKE-UHFFFAOYSA-N 426.653 7.091 30 10 IKEE CCCC/N=C1/Sc2nc3cc4c(cc3cc2CN1Cc1ccc(OC)cc1)OCO4 104158253 XHSXYDQNMFBYDI-OCOZRVBESA-N 435.549 5.236 30 10 IKEE CCOc1cc(/C=N/Nc2ccc(OC)c(Cl)c2)ccc1OCc1cc(C)ccc1C 169877261 PVTKYYGOTRKSQX-JFLMPSFJSA-N 438.955 6.389 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2cccc(OC)c2)cc1 169931385 WSOKHCOSDXVJJO-XMMPIXPASA-N 445.490 5.488 30 10 IKEE CCN1C(=S)N[C@H](c2cc(Cl)c(OC)c(Cl)c2)C(C(=O)c2ccccc2)=C1C 169931697 MMYDPHPMBJMHAP-GOSISDBHSA-N 435.376 5.410 30 10 IKEE Cc1ccc(-c2csc(N/N=C\c3ccc(OCCCc4ccccc4)cc3)n2)cc1C 169941082 YNAOAZNMUIQXHI-VEILYXNESA-N 441.600 6.885 30 10 IKEE CN(C)c1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2ccccc2)cc1 169953195 GHHNJDBGYDSMQJ-XMMPIXPASA-N 437.499 5.017 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2cccc(C)c2)cc1 169969547 UTYBAAWQMPCOPK-SANMLTNESA-N 441.527 5.496 30 10 IKEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(Cl)cc1 170060089 IAMHCBZFCXZOFK-HSZRJFAPSA-N 448.950 5.023 30 10 IKEE CCCCCCCCCCN1C(=O)C(Sc2ccccc2)=C(c2ccc(C)cc2)C1=O 170076991 DPNHYCJQQWWZDP-UHFFFAOYSA-N 435.633 7.008 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@H]1c1ccccc1C 170087853 YUCTZPLOVSBJBZ-AREMUKBSSA-N 441.527 5.101 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2cccs2)cc1 170155441 WQKBSZFUHFEZIY-NRFANRHFSA-N 437.492 5.457 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1cccs1)c1cccc2ccccc12 170157317 DOGIZSKVVWONFJ-QFIPXVFZSA-N 427.481 5.390 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccncc1)c1ccc(Cl)cc1 170204131 SUDSWLQETUUOCF-LJQANCHMSA-N 425.271 5.171 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@H]1c1ccc(OCC)cc1 170213581 PNBKHMKIPKMNJV-JOCHJYFZSA-N 437.536 5.089 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccccc1)c1cc2cc(Cl)ccc2o1 170221910 DMJSUQQZIYEXAE-OAQYLSRUSA-N 449.915 5.926 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccc2)cc1C 170228906 KNTIIRDGMVHYDK-VWLOTQADSA-N 441.527 5.875 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2C2CCCCC2)cc1 170266733 GUSXNYHHZKHBDO-NSYGIPOTSA-N 445.559 5.483 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1c1ccccc1O 170271819 XWNMAKKIPCXSEV-VWLOTQADSA-N 435.479 5.637 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@H]2c2ccco2)cc1 170283418 BNXVDOXFUCGXOV-XMMPIXPASA-N 445.515 5.721 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@@H]2c2ccco2)cc1 170287711 YRBDJEOWCWLQGP-QHCPKHFHSA-N 431.488 5.467 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2ccco2)cc1 170297108 BQRYJUDBZVIUFN-HSZRJFAPSA-N 431.488 5.074 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2c2ccccc2)o1 170302914 YIKKITQZMOXKFU-DEOSSOPVSA-N 445.515 5.714 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(OC(C)C)cc2)cc1 170346882 SSWUIYMGJIESTE-XMMPIXPASA-N 443.499 5.265 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(C)c(C)c2)cc1 170453159 AKMSRJYXMQWFSA-QHCPKHFHSA-N 434.580 5.665 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 170470886 SEHSKJWOZYTUFC-QHCPKHFHSA-N 445.515 5.364 30 10 IKEE CCCCCCCCCCCCCCCCCCNC(=O)c1ccc(C(OC)OC)cc1 205108955 NRKALDBUPHXCPQ-UHFFFAOYSA-N 447.704 7.969 30 10 IKEE C[C@]12CCCC[C@H]1CC[C@H]1[C@H]2CC[C@@]2(C)C(=O)/C(=C\c3cccc(Br)c3)C[C@H]12 253571086 OMJIZRMQBBHMOY-IHPBTFIJSA-N 441.453 7.444 30 10 IKEE CCOc1ccc(S(=O)(=O)NN=Cc2c3ccccc3c(Cl)c3ccccc23)cc1 254758548 CWKFUIQAEGSUQD-UHFFFAOYSA-N 438.936 5.358 30 10 IKEE COc1cccc(C=Nc2ccc(Cc3ccc(N=Cc4cccc(OC)c4)cc3)cc2)c1 257353410 QZDBGEPMGMBZKT-UHFFFAOYSA-N 434.539 6.796 30 10 IKEE CCOc1ccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1OC 526488663 LTQJPFSYKCBNHG-XMMPIXPASA-N 444.462 5.162 30 10 IKEE CCOc1cc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2sccc2C)ccc1OC 526604178 KBKSWQMJGFLSSM-QFIPXVFZSA-N 446.528 5.393 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(O)c(Cl)c2)cc1 526773635 UBEPEGZJRXIKAB-JOCHJYFZSA-N 449.890 5.227 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccccc1[N+](=O)[O-] 526813160 XDMYAKRGVXQJDV-XKZIYDEJSA-N 429.933 5.357 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1cn(CC)c2ccccc12 526823024 QDLFHVHJYPWAMD-YUMHPJSZSA-N 442.592 5.641 30 10 IKEE CC[C@H]1CCCCN1C(=O)Nc1ccc(C(=O)Nc2scc(C(C)(C)C)c2C#N)cc1 586681436 YUAMABZXFVUEHE-SFHVURJKSA-N 438.597 5.966 30 10 IKEE COc1ccc(Br)c([C@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)c1 710768772 XPZBCYCBKBNHJR-KRWDZBQOSA-N 437.359 5.521 30 10 IKEE Cc1sc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)cc1Br 710770974 YLIZLSGNEQIVRC-HNNXBMFYSA-N 441.778 6.479 30 10 IKEE CCCCCCCC[C@H](NN)c1ccc(I)c(Br)c1 721327977 NRMCTVRMTBLDLQ-HNNXBMFYSA-N 439.179 5.309 30 10 IKEE C=C1CCC(C[C@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)CC1 724570001 NIRAQBFHXZULLL-TUSQITKMSA-N 444.660 5.990 30 10 IKEE CCCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc3c(c2)COC3)cc1 746026412 VCVVJJQSGJQKNR-UHFFFAOYSA-O 442.564 5.152 30 10 IKEE COC(=O)c1c(N=Cc2c(OC)ccc3ccccc23)sc(Cc2ccccc2)c1C 1084255950 DIYCDUXKHJBHAL-UHFFFAOYSA-N 429.541 6.346 30 10 IKEE CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]3C[C@H]([C@@H](C)[N+](=O)[O-])[C@H]2/C(C)=N/O)C1 1565535007 VOETZVYTDQTIBX-CGYNCJOHSA-N 446.588 5.239 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=Nc1nc(-c2ccccc2)cs1 1772734297 DNUUSLUHADCWDF-HRXHUYTNSA-N 437.977 6.254 30 10 IKEE C/C(=C1/SC(=Nc2nc(-c3ccccc3)cs2)N(C)C1=O)c1ccc(Cl)cc1 1772736057 IBDVRMSVCPHWIJ-SDWZUDADSA-N 425.966 6.087 30 10 IKEE Cc1nnc(N=C2S/C(=C\c3cn(C)c4ccccc34)C(=O)N2c2ccccc2)s1 1772737410 LKJLXVWAFRUIPZ-OCFWRVAFSA-N 431.546 5.147 30 10 IKEE CCc1ccc(NC(=S)N/N=C\c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 1857811318 OIMPGMUUVNYBQZ-ONUIUJJFSA-N 425.561 5.422 30 10 IKEE COc1ccc(-n2nc(C(=O)Nc3ccccc3C#N)cc2-c2cccc3c2CCCC3)cc1 1859392321 MPIOLWZXWQXWJJ-UHFFFAOYSA-N 448.526 5.551 30 10 IKEE CC(C)(C)c1csc(NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)c1C#N 1860629631 YDOCSSKQWYNVDV-UHFFFAOYSA-N 429.973 5.062 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)c1cc([N+](=O)[O-])ccc1Cl 1861835643 QTNBAQYPJFKEAM-FQEVSTJZSA-N 439.984 5.404 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2c(F)cc(F)cc2F)n(Cc2ccc(C)cc2)n1 1862343624 FLDOJZWMRMJRMQ-UHFFFAOYSA-N 425.454 5.138 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccccc1[N+](=O)[O-] 1862383449 KHYMPWGANLZWGW-GOSISDBHSA-N 449.290 5.136 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@@H]2c2cccc(C)c2)cc1 1862390242 YRTCGRGCDMWFOM-RUZDIDTESA-N 448.607 5.258 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2cccc(Cl)c2)cc1 1862392130 QEPZSQNBBWKAPN-AOMKIAJQSA-N 425.956 6.059 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@@H]2c2ccc(O)c(OC)c2)cc1 1862395860 ADESZOYLVUJLOM-HSZRJFAPSA-N 437.536 5.122 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccccc1Cl 1862403526 YGFLOZGWESSYGJ-NRFANRHFSA-N 427.928 5.426 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1c(Cl)cccc1Cl 1862466982 FOTYZSMPVKTNNI-KRWDZBQOSA-N 442.220 5.175 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccc(F)cc2F)cc1 1862478145 ZVUWUUOMSYDYIZ-MWTRTKDXSA-N 433.454 5.613 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccccc2[N+](=O)[O-])cc1 1862478170 AGUIITLQQGPVGZ-PERKRYKHSA-N 434.492 5.060 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1c(F)cccc1Cl 1862480602 KNBOZSKABLWHOF-NRFANRHFSA-N 429.919 5.946 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Br)cc1 1862487732 IBFIAKBRVVQUPP-KUHUBIRLSA-N 428.326 5.134 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccccc2Cl)c1 1862559978 AXVDJHXFYQSAOT-JOCHJYFZSA-N 436.939 5.391 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2cccc3ccccc23)c1 1862560603 GUBMZRCSRBUFOJ-SANMLTNESA-N 448.522 5.509 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@H]1c1ccccc1Cl)c1cccc(O)c1 1862596501 URQVUCDIQNFIQO-QFIPXVFZSA-N 439.939 5.737 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(F)cc1 1862615999 NZOVKFLWFIMPKX-QFIPXVFZSA-N 439.527 5.127 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(OCCCC)cc1 1862679599 HNPMMPBGQAUROC-QHCPKHFHSA-N 439.527 5.773 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(OC)c(OC)c1 1862681920 IWIPMEOJECYIEN-JOCHJYFZSA-N 441.499 5.002 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2cccc(C)c2)c1 1862698719 LVKXHFFPPRMPGN-KOSHJBKYSA-N 427.500 5.343 30 10 IKEE CCOc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 1862829853 ISVMROIENUSCAL-UHFFFAOYSA-N 443.890 5.007 30 10 IKEE COc1ccc([C@H]2CN(c3cc(Nc4ccccc4C#N)nc(C(C)C)n3)CCS2)cc1 1868237780 DOKUNSZEXAOSKG-JOCHJYFZSA-N 445.592 5.518 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCC)c(=O)cc1CSc1ccc(C)cc1 1870193471 CTQKSLDHXJYDNH-UHFFFAOYSA-N 445.625 5.751 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCCCCCC)cn1CCCCN(CC)CC 1870412186 YYOYIDMKBKKMLP-UHFFFAOYSA-N 445.692 5.494 30 10 IKEE CCCCCCCCn1cc(OCc2cccc3ccccc23)c(=O)cc1CN1CCCC1 1870487361 COVLJXGVTCUHEA-UHFFFAOYSA-N 446.635 6.537 30 10 IKEE C#CCOc1cn(CCCOCCCC)c(CN(CCCC)CCCCCC)cc1=O 1870559604 JBWXEFFOQLIKQE-UHFFFAOYSA-N 432.649 5.250 30 10 IKEE CCCCCCCCn1cc(OCC)c(=O)cc1CNc1ccc(Cl)c(Cl)c1 1870784462 OTAMPDZBFVVSGD-UHFFFAOYSA-N 425.400 6.526 30 10 IKEE C=CCOc1cn(CCCCCCCCCC)c(CNc2cccc(Cl)c2C)cc1=O 1870812910 NWAGJSSGEKGAGS-UHFFFAOYSA-N 445.047 7.128 30 10 IKEE CCCCCCCOc1cn(Cc2cccc(C)c2)c(CNc2ccc(C)cc2C)cc1=O 1870835737 GSVIBOZUHIFJPY-UHFFFAOYSA-N 446.635 6.783 30 10 IKEE C=CCn1cc(OCc2ccc(F)cc2)c(=O)cc1CNc1cccc(C(F)(F)F)c1 1871074221 CQALWCXPSPBUFS-UHFFFAOYSA-N 432.417 5.383 30 10 IKEE CCCCCCCCCCN=c1nc2c(cnn2C)c(Nc2ccccc2OC(C)C)[nH]1 1871298838 KVTMRROVMOEJEK-UHFFFAOYSA-N 438.620 5.869 30 10 IKEE Cc1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1 1871366550 GELONDMRRUBXSE-QHEGJKBSSA-N 438.523 6.662 30 10 IKEE CCCC(=O)Oc1ccc2c(c1C)O/C(=C\c1cc(Br)ccc1OC)C2=O 1871390994 JWZFGFZKCJEVCW-WQRHYEAKSA-N 431.282 5.088 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OCCCc4ccccc4)cc(C)c3C2=O)cc1 1871399069 BVRPSDILBGIPML-DIBXZPPDSA-N 441.571 6.469 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OCCCCOc3cccc(C)c3)ccc2C1=O 1871405630 LUTHYQQUXBOGSH-ONUIUJJFSA-N 430.500 5.858 30 10 IKEE COc1cccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccc(Cl)cc2)C3=O)c1 1871441896 OXYAQUIEBCBARU-UUYOSTAYSA-N 449.890 5.291 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(F)cc2)ccc2c1O/C(=C\C=C\c1ccccc1)C2=O 1871456432 DYDMXBDBMNYVOB-ABVWVXPPSA-N 429.447 5.324 30 10 IKEE Cc1cc(C)c(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccccc2C)C3=O)c(C)c1 1871459164 UHWATKHMTVJGNQ-CFRMEGHHSA-N 427.500 5.554 30 10 IKEE C=CCN(CC=C)c1nc(=NCCCCCCCC)nc(Nc2ccc(N(C)C)cc2)[nH]1 1871693862 ADQFKFFSGVUZBW-UHFFFAOYSA-N 437.636 5.054 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 1871895036 JWVGWOOJVRJTMO-DEOSSOPVSA-N 442.625 5.376 30 10 IKEE C=CCN([C@H](C(=O)Nc1cc(C)ccc1C)[C@@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1872571577 JXMILHLCQPNMFC-JTSKRJEESA-N 449.016 5.187 30 10 IKEE C=CCOc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872760586 SDARWTUZWDKVAS-OAQYLSRUSA-N 444.556 5.509 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3cccc(OC)c3)cs2)cc1OC 1872762737 VENFCBSJTRBJDN-RQMBKDMJSA-N 434.517 5.116 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccccc3C(C)C)n2)cc1F 1872775373 PCNSFYGNQPJGBR-CRAIPNDOSA-N 438.524 5.725 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCCCC)=C(c2cccc(OC)c2)C1=O 1873046609 IQLHNHDPNIZCIT-UHFFFAOYSA-N 442.644 6.086 30 10 IKEE CCCCCCCCNC1=C(c2cc(C)ccc2C)C(=O)N([C@H](CC)CCCCC)C1=O 1873150548 AXSPTVLBAYIMRG-HSZRJFAPSA-N 440.672 6.692 30 10 IKEE C=CCN1C(=O)C(Nc2cc(Cl)ccc2Cl)=C(c2ccc(-n3cccc3)cc2)C1=O 1873203430 PGVMXIAEMPJGDO-UHFFFAOYSA-N 438.314 5.162 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(Cl)ccc2Cl)=C(c2ccccc2)C1=O 1873413770 OLWCDNINHMXNQC-UHFFFAOYSA-N 445.390 6.546 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)c(F)c2)cc2c(NCCc3ccc(F)cc3)ncnc21 1873616002 SXYRIJXUOVARCZ-UHFFFAOYSA-N 447.489 5.111 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(F)c(F)c1)n2C 1873629307 VXQOUUJASBARBP-UHFFFAOYSA-N 443.542 6.051 30 10 IKEE CCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1c(F)cccc1Cl 1874231926 ITYGSHDWHUYWMC-CVKSISIWSA-N 438.959 6.003 30 10 IKEE CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccc(C(C)(C)C)cc1 1874244164 QQWHPDOHJWRNRR-WPWMEQJKSA-N 436.669 6.329 30 10 IKEE CCCCC1CCC(c2nnc(SCc3cccc(F)c3)n2/N=C/c2ccco2)CC1 1874285320 FSPIQQRHKWOQBQ-WGOQTCKBSA-N 440.588 6.649 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SC)nnc2C2CCC(CCCC)CC2)cc1 1874286048 MQPZRNNXBZNZBI-XIEYBQDHSA-N 428.646 6.525 30 10 IKEE C=CCSc1nnc(CCc2ccc(OC)cc2)n1/N=C/c1cccc2ccccc12 1874307085 FLGJCDMANIOGCH-NLRVBDNBSA-N 428.561 5.385 30 10 IKEE CCCSc1nnc(Cc2ccc(OC)cc2)n1/N=C/c1c(OC)ccc2ccccc12 1874351841 HKOXKWXUJQJRGX-YZSQISJMSA-N 446.576 5.424 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3C)n2/N=C/c2ccccn2)cc1 1874359863 CKSOPZKIGAEYQO-WPWMEQJKSA-N 427.577 5.250 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SC)cc1OC 1874372870 VUCVZYKXGDMMDQ-PCLIKHOPSA-N 442.560 5.190 30 10 IKEE Cc1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SCc2ccccc2C)cc1 1874373954 ZYESZPIFXQZUCA-JVWAILMASA-N 430.552 5.799 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1/N=C/c1ccc(Cl)c(Cl)c1 1874475937 ABQGIKYOEGMSHS-WYMPLXKRSA-N 437.371 6.241 30 10 IKEE CCCOc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2ccc(Cl)cc2)cc1 1874491120 AJBZVYIKLKJTAM-MFKUBSTISA-N 443.016 6.093 30 10 IKEE COc1ccc(OCc2nnc(S)n2/N=C/c2cccc3ccccc23)c(C(C)(C)C)c1 1874570997 RVUSJEGBMWYNOR-CVKSISIWSA-N 446.576 5.487 30 10 IKEE CCN(CC)C(=O)COc1ccc(Br)cc1/C=C/C(=O)c1ccc(C)cc1C 1874578797 HKXDHGRGZYEAEG-DHZHZOJOSA-N 444.369 5.209 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(F)cc1 1874584055 UEONARFQXOOTGA-XYOKQWHBSA-N 437.898 6.010 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OCc1ccc(Cl)c(Cl)c1 1874595250 BMJJEALBNOPWRF-XCVCLJGOSA-N 447.745 7.131 30 10 IKEE CCCN(CCC)C(=O)COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC 1874595714 ZYQYUVKCLMMATB-WUXMJOGZSA-N 429.944 5.272 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OCc1cccc(C)c1 1874601741 AQMRJPZBNCKLOX-GZTJUZNOSA-N 434.535 7.146 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(OC)c(OCCc3ccccc3)c(OC)c2)cc1 1874606614 XIUTXUPTYIKICV-SAPNQHFASA-N 444.571 6.564 30 10 IKEE COc1ccc(CC(=O)Oc2cc(/C=C/C(=O)c3ccc(F)cc3F)ccc2OC)cc1 1874698834 QFWAGCGKJMYMDT-VZUCSPMQSA-N 438.426 5.026 30 10 IKEE O=C(COc1cc(F)ccc1F)Oc1cccc(/C=C/C(=O)c2ccc(Cl)cc2)c1 1874700637 DHMYKUKGHPVJEA-NYYWCZLTSA-N 428.818 5.499 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1OC(=O)c1ccccc1C 1874702423 POGLIPYVQKDHCU-YRNVUSSQSA-N 441.310 6.426 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(Cl)c(Cl)c3)c2)c1 1874702971 SSNGTJULKWMCFT-DHZHZOJOSA-N 439.338 6.654 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(Br)cc2)CSc2nncn21 1874811741 OCIXSTBKDBMQDE-KRWDZBQOSA-N 437.407 5.103 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc(F)c2)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 1875097265 BZUBGIGSEVAWBJ-XYOKQWHBSA-N 445.446 5.728 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)CC(C)(C)C 1875105465 WQYUUZVHAJZTMP-UXBLZVDNSA-N 435.347 6.630 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(C)cc3C)cc2)cc1 1875105749 KMJQFBXQWOAYSE-SFQUDFHCSA-N 442.555 6.527 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1[N+](=O)[O-] 1875113745 VZZWRYOPYVTXLL-ZRDIBKRKSA-N 427.884 6.020 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC(=O)c1c(F)cccc1Cl 1875122869 LSWIEFKGWPTXNT-CSKARUKUSA-N 445.273 6.256 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(-c3ccccc3)cc2)c(Cl)c1)c1ccccc1 1875128148 PMOZCJITFVIGPT-GZTJUZNOSA-N 438.910 7.122 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1cc2ccccc2n1C 1875143524 DHQGIXUNIFOAHR-XYOKQWHBSA-N 443.474 5.750 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)CCCOc2ccccc2C)cc1 1875143614 IYMJUYOJXITYPK-DTQAZKPQSA-N 444.527 5.973 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)Cc1cccs1 1875157794 ORHNTFCOYQKAKP-RUDMXATFSA-N 430.884 5.593 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)c1cccnc1 1875166292 FCIHNIYLQWBJNK-DHZHZOJOSA-N 431.488 5.221 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](O)c1ccc(Br)cc1Cl 1922056761 ZKYUWKZGYVWIJE-RTWAWAEBSA-N 438.793 5.277 30 10 IKEE C=C(COCc1ccccc1)[C@H](N)[C@@H](O)c1ccc(-c2ccc(Br)cc2)s1 1922066578 VDRFGXSNQYHTNN-VXKWHMMOSA-N 444.394 5.311 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1ccc(C)c(C)c1NC(=O)OC(C)(C)C 1925613825 YIQHFEYIFZDEAO-DEOSSOPVSA-N 438.612 6.464 30 10 IKEE C=C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(C)C)[C@H](CCCC)C(=O)O 1927515255 YACKMBUARHQUDL-SHQCIBLASA-N 435.564 5.997 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)c1ccc(Br)c(Br)c1 1978551663 XRBJWUIBHFBXRT-IBGZPJMESA-N 439.191 5.635 30 10 IKEE C[C@@H]1CC[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)[C@@H](OCc2ccccc2)C1 1998820957 CGBBFNVWRJTFQJ-RFWXGWTQSA-N 427.549 5.592 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)C1(C#N)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 2040984673 CSWQZNPQCRJTGB-RTBURBONSA-N 441.572 5.276 30 10 IKEE CCCOc1ccc([C@H](n2nc(C(F)(F)F)c(C#N)c2Br)C(C)(C)C)cc1 2080077953 MANXLCPJOSXSFP-INIZCTEOSA-N 444.295 5.960 30 10 IKEE CC(=O)Oc1ccc([C@H](n2nc(C3(C)CC3)c(C#N)c2Br)C(C)(C)C)cc1 2080079189 DKFPIMTXQLKTKI-SFHVURJKSA-N 430.346 5.130 30 10 IKEE Cc1cc(Cn2nc(C3CCCCC3)c(C#N)c2Br)cc(C(F)(F)F)c1 2080311114 FHNRYIRGQNPEDX-UHFFFAOYSA-N 426.280 5.941 30 10 IKEE N#Cc1cnc2c(-c3ccc(C(F)(F)F)c(Cl)c3)c(C(F)(F)F)nn2c1Cl 2081434779 VRKJJLKMJZWGGI-UHFFFAOYSA-N 425.119 5.612 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]([C@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)C1 2082159365 AWXLDHMPKHKBMG-SRGWNRLKSA-N 447.551 5.543 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(Cl)ccc(Br)c1F 2122147937 LFTJWRWHEDYLAZ-WMLDXEAASA-N 447.776 5.199 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)Nc2ccc(Br)c(Cl)c2F)C1 2126626517 WDXSAXHWUGMHID-UHFFFAOYSA-N 447.732 5.041 30 10 IKEE CCN(c1ccc(C#N)c(Br)c1)[C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 2174808742 RJGZNYNEKAJBJU-LPHOPBHVSA-N 436.394 5.231 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)[C@H]1C[C@@H]1C1CCCCC1 2200283083 RZOKDHOWNOZAFX-HSALFYBXSA-N 433.390 6.299 30 10 IKEE C=CCCCCCCC[C@@H](O)c1cc(I)ccc1Br 2227286216 WYTQVBOQFYFEGX-MRXNPFEDSA-N 437.159 6.004 30 10 IKEE C=CCN(C[C@@H](NCCC)c1ccc(Br)cc1CC)C(=O)OC(C)(C)C 2229255639 OUACTCUEDRLWPO-LJQANCHMSA-N 425.411 5.475 30 10 IKEE CC(C)c1cc(Br)cc([C@@H](C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)c1 2266017169 ILKFOLBFINNJBL-OAHLLOKOSA-N 435.284 5.937 30 10 IKEE C=C(COCc1ccccc1)[C@](C)(OCC(=O)O)c1ccc(Br)cc1Cl 2275130300 SASWICKKFAPPEF-FQEVSTJZSA-N 439.733 5.192 30 10 IKEE C=CCCC1(C(=O)Nc2cc(C)cc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2281013631 CERNGZBSWGKODT-UHFFFAOYSA-N 441.341 5.038 30 10 IKEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)Nc1cccc(OCc2ccccc2)c1 2282696157 ZDZYUMYROKJORU-UHFFFAOYSA-N 443.352 5.126 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)C[C@H](C)N(CC)C(=O)OC(C)(C)C 2296311379 WOWORDHGRDSLLT-PXNSSMCTSA-N 437.422 5.204 30 10 IKEE Cc1ccc(NC=C2C(=O)c3sccc3N(Cc3ccc(Cl)cc3)S2(=O)=O)cc1 2297378373 HWQOTCFQQPERGT-UHFFFAOYSA-N 444.965 5.196 30 10 IKEE C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=NN=Cc3ccccc3C(F)(F)F)CC[C@@H]12 2297480199 FHIHDASURXFVSB-YUFFJEKGSA-N 444.585 7.913 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2308983860 KLQLDNPXNFYFJA-BYEUEOSGSA-N 445.535 5.153 30 10 IKEE Cc1cc(C)cc(N=C2NC(=O)C(=Cc3cc(N=Nc4ccccc4)ccc3O)S2)c1 2313510327 QVOHRVXRGWUJJC-UHFFFAOYSA-N 428.517 6.316 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC(=O)N(c3ccccc3)c3ccccc3)cc2)cc1 2314429197 APBFLGIQOCZSSQ-UHFFFAOYSA-N 449.506 6.928 30 10 IKEE Cc1cccc(N=C2SC(=CC(Cl)=Cc3ccccc3)C(=O)N2C2CCCCC2)n1 2314540172 KLFOTPFAZZCSDO-UHFFFAOYSA-N 437.996 6.449 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3)n2N=Cc2ccncc2)c1 2318571150 DDRQOSVZNYNKJB-UHFFFAOYSA-N 427.577 5.250 30 10 IKEE Cc1c(C=Nn2cnnc2SCc2ccc(Cl)cc2Cl)c2ccccc2n1C 2318571304 HJIGVAUVIAUOLB-UHFFFAOYSA-N 430.364 5.560 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2318877790 OBLJZVNVNLIQSD-HBMCJLEFSA-N 449.636 5.922 30 10 IKEE CCCSc1nnc(CC)n1N=Cc1c(OCc2ccccc2)ccc2ccccc12 2321027715 QOKFKDYPPCPRMV-UHFFFAOYSA-N 430.577 5.957 30 10 IKEE COc1cccc(C=CC(=O)c2cccc(Cl)c2)c1OCC(=O)Nc1ccc(C)cc1C 2322528030 ZDUALCSKBKWMQD-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE COc1c(Br)cc(Br)cc1C=CC(=O)c1ccc(Cl)cc1 2322528578 SBSOHEAVDUUICK-UHFFFAOYSA-N 430.523 5.770 30 10 IKEE O=C(COc1ccc2ccccc2c1C=CC(=O)c1ccc(F)cc1)NC1CCCCC1 2322748087 WGTRXJIHWZPJAC-UHFFFAOYSA-N 431.507 5.703 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCc3ccccc3F)c2)cc1Cl 2323310444 MRSCGWCAZFAYNO-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O 2323396541 XGBDHQHAGLRIGP-UHFFFAOYSA-N 432.475 6.160 30 10 IKEE CC(C)Oc1c(Cl)cc(C=Nn2c(S)nnc2CCc2ccccc2)cc1Cl 2323510894 XVPJLVMXVADYDI-UHFFFAOYSA-N 435.380 5.328 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OCC(=O)Nc3c(C)cccc3C)c(OC)c2)c1 2323511086 PYMIQPLYICNZRR-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE Cc1cc(OC(=O)C=Cc2cccs2)cc2c1C(=O)C(=Cc1ccc(N(C)C)cc1)O2 2323532234 YSCBEZPSOMGHII-UHFFFAOYSA-N 431.513 5.358 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)ccc1OCC(=O)Nc1ccc(F)cc1 2323647567 WPMCPDTVLZPDTB-UHFFFAOYSA-N 449.478 5.147 30 10 IKEE Cc1cc(OC(=O)C=Cc2ccc(-c3ccccc3)cc2)cc2c1C(=O)C(=Cc1ccco1)O2 2323648190 GZNFRPNVCBEWHV-UHFFFAOYSA-N 448.474 6.490 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2323816427 ZNSACKSTFIBGNA-UHFFFAOYSA-N 434.875 5.964 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2C)OC(=CC=Cc2ccccc2)C3=O)c1 2323858138 JRQWTAYPOAGGGS-UHFFFAOYSA-N 438.479 5.951 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(F)cc1 2323890106 FJHIOPUNPSAGLY-UHFFFAOYSA-N 445.317 7.006 30 10 IKEE CCCOC(=O)COc1c(Cl)cc(C=CC(=O)c2cc(C)ccc2OC)cc1OCC 2323999574 GVIWSGIZUCVXBB-UHFFFAOYSA-N 446.927 5.284 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OCc3ccccc3)c(Br)c2)cc1 2324064086 AHVPXNFNFOYFCW-UHFFFAOYSA-N 449.388 7.222 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 2324173605 ZSJFDLOJMZBUQW-UHFFFAOYSA-N 443.543 6.041 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 2324190778 KMIPAVAIFPBTSR-UHFFFAOYSA-N 448.450 5.210 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2cccs2)C3=O)cc1 2324451962 ZFZWKUKGJYPBRG-OAHLLOKOSA-N 435.501 5.087 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCCCOc4ccc(C)cc4)cc(C)c3C2=O)cc1 2324545775 FNEPSHWTYXAINJ-UHFFFAOYSA-N 428.528 6.330 30 10 IKEE Cc1ccccc1OCCCCOc1cc(C)c2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O 2324598860 RYOCXFNLJRQYMP-UHFFFAOYSA-N 448.946 6.811 30 10 IKEE CC(C)(C)c1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3cccc4ccccc34)cs2)cc1 2324637656 ZPKYPGOTXJWGHW-XMMPIXPASA-N 436.580 7.150 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2OC)ccc1OCc1cccc(C)c1 2324706532 WQZLSLFJANXEBO-UHFFFAOYSA-N 436.935 6.531 30 10 IKEE Cc1c(OCc2ccccc2C#N)ccc2c1OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2325357636 JLDCBQNBZGAPIY-UHFFFAOYSA-N 443.502 6.729 30 10 IKEE Oc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccc(Cl)cc2)cc1 2325461913 SWFVCFSAUHLENG-UHFFFAOYSA-N 448.979 5.597 30 10 IKEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1cn(C)c2ccccc12 2325513247 ZGEXMCVFXZPRPU-UHFFFAOYSA-N 448.552 5.195 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccncc2)C3=O)cc1 2325620000 BSQYGTDESMZOBZ-KRWDZBQOSA-N 442.515 5.537 30 10 IKEE CC(C)OC(=O)c1cccc(NC(=O)C(=O)C=Cc2cccc(OCc3ccccc3)c2)c1 2325669649 YNGWHCRTPHOPOG-UHFFFAOYSA-N 443.499 5.052 30 10 IKEE COc1cccc(C(=O)C=Cc2cccc(OC(=O)CCCOc3c(C)cccc3C)c2)c1 2325707528 LVTFJKFAOKTNJO-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2cccc3ccccc23)c1)c1ccc(Cl)cc1Cl 2325709415 NLNJXLAOFLOZAV-UHFFFAOYSA-N 447.317 7.262 30 10 IKEE Cc1c(OCC(=O)Nc2cccc(Cl)c2)ccc2c1OC(=Cc1cccc(F)c1)C2=O 2325717283 FOKNRKQOJOJMLQ-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OC(=O)COc1ccc(C)cc1C 2325737574 UINKEEYUJUZUGL-UHFFFAOYSA-N 430.500 5.501 30 10 IKEE CCc1ccc(C(=O)Oc2cccc(C=CC(=O)c3cc(C)c(Cl)cc3OC)c2)cc1 2325763554 DFJPBNKWTRJVOP-UHFFFAOYSA-N 434.919 6.335 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1c(O)ccc2ccccc12 2326446302 COFNWVNQILPYQK-UHFFFAOYSA-N 430.577 5.881 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1cccc(OC(C)C)c1 2326570020 QJVITOPCVOPLSI-UHFFFAOYSA-N 432.952 5.595 30 10 IKEE C=CCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1cccc(OC)c1OC 2327768118 PVHAQDCMYHVPQJ-UHFFFAOYSA-N 444.560 5.200 30 10 IKEE C=CCSc1nnc(CCc2ccccc2Cl)n1N=Cc1cc(Cl)ccc1O 2327976795 LGPMNIVMAZVUQN-UHFFFAOYSA-N 433.364 5.236 30 10 IKEE C=CCSc1nnc(COc2ccc(OC)cc2)n1N=Cc1c(Cl)cccc1Cl 2328403504 JBLUKARJFOKNBG-UHFFFAOYSA-N 449.363 5.333 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(OC)cc2)n1N=Cc1ccccc1Cl 2328576787 OYPUWXPJVLNXDU-UHFFFAOYSA-N 426.973 5.276 30 10 IKEE CCCCCOc1ccc(C=Nn2c(CCc3cccc(OC)c3)nnc2SC)cc1 2328599102 UCBZKEKYXCGBPH-UHFFFAOYSA-N 438.597 5.245 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2ccccc2O)cc1C 2328791193 HSOMMHUVNNAHIX-UHFFFAOYSA-N 444.560 5.354 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3F)n2N=Cc2cccnc2)cc1C 2328946007 HJWNLQXYQPIHKV-UHFFFAOYSA-N 445.567 5.389 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3cccs3)n2N=Cc2ccccc2)c1 2329667728 WFCLRDBADQAASV-UHFFFAOYSA-N 432.618 5.916 30 10 IKEE Cc1ccc(C=Nn2c(SCc3ccccc3C)nnc2[C@H](C)c2ccccc2)cc1 2330057863 XZMVLARWADTYAW-OAQYLSRUSA-N 426.589 6.221 30 10 IKEE CC(=Cc1ccccc1Cl)C(=O)N[C@H](C(=O)Nc1ccccc1C#N)c1ccccc1 2330476894 JHPMFXMPNCBKCR-QHCPKHFHSA-N 429.907 5.111 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1ccccn1 2330700631 QXXWKZKYSKPKAI-UHFFFAOYSA-N 427.500 5.474 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)cc(Cl)c1OC(=O)CC(C)(C)C 2330752717 ZZZMQWRMZPLEAL-UHFFFAOYSA-N 428.956 6.539 30 10 IKEE CC(C)(C)CC(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 2330812562 FFYYBOGTFHMPLL-UHFFFAOYSA-N 436.291 6.139 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)Cc1ccccc1 2330821941 HHQSVAAGYQKPFT-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 2330961276 PCYIWTRMLWJVIR-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCc3ccccc3)nnc2C2CCCC2)cc1 2331069740 YMLSEGUJKQLOSD-UHFFFAOYSA-N 433.625 5.956 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2Cl)c(Cl)c1)c1cccc(Cl)c1 2331122937 HGZDNMNFDBIQNV-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)cc3F)c([N+](=O)[O-])c2)cc1 2331273330 BODUBAKZPVSTPX-UHFFFAOYSA-N 437.398 5.226 30 10 IKEE CCCCc1nnc(SCCc2ccccc2)n1N=Cc1ccc(Br)cc1 2331339162 LOLBCIIUODAUOK-UHFFFAOYSA-N 443.414 5.600 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 2331411957 WBPZZQJZAOLODZ-UHFFFAOYSA-N 442.511 6.025 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)Cc1ccc(C)c(C)c1 2331449162 SNWFBNAOSUJYNZ-UHFFFAOYSA-N 444.483 5.085 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(F)cc2)cc1 2331546049 ZBHDEDUBNFRQQY-UHFFFAOYSA-N 432.491 6.247 30 10 IKEE COCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(C(C)C)cc1 2331595030 DRUWJZQMBXEYBX-UHFFFAOYSA-N 430.577 5.876 30 10 IKEE CCCCC(=O)Oc1c(OCC)cc(C=CC(=O)c2ccc(C)c(C)c2)cc1[N+](=O)[O-] 2331708308 BJSINCNZKOPRIZ-UHFFFAOYSA-N 425.481 5.602 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)cc(OC)c1OC(=O)C1CCC1 2331864031 KBQZCCMAPMRQJZ-UHFFFAOYSA-N 445.342 6.332 30 10 IKEE CC(C)N(C[C@H](C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2339588741 MUJAPVWBTHYGPZ-SFHVURJKSA-N 446.397 5.139 30 10 IKEE CCN[C@H](C#C[C@H]1CC1(F)F)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2341023631 YTEMSLKYKNBGTH-LOSJGSFVSA-N 447.525 6.154 30 10 IKEE CC[C@@H]1CCC[C@@](C=O)(Cc2ccc(I)c(Br)c2)C1 2349912921 AJLNDGANFLDCNY-WBMJQRKESA-N 435.143 5.382 30 10 IKEE CSc1cc(Nc2cc(Br)ccc2I)ccc1C#N 2353836985 YUNGYGCFIQGUAK-UHFFFAOYSA-N 445.123 5.391 30 10 IKEE CCCCCCCNC(=O)c1ccc(CNC(=O)c2ccc(Br)cc2)cc1 3022903 WTIWZVLRYLPRPC-UHFFFAOYSA-N 431.374 5.079 30 10 IKEE C=C(C)COc1cccc2c1N[C@@H](c1ccc3c(c1)c1ccccc1n3CC)[C@H]1CC=C[C@H]21 13642970 RXMVELVCNTVQSB-PLIGCNLOSA-N 434.583 7.596 30 10 IKEE Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)cc1[N+](=O)[O-] 20886036 DQNICUMVRAYJCK-DWXRJYCRSA-N 443.478 6.022 30 10 IKEE COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(OC)c2O)c1 21235741 VBAPPWJIOWARIS-WGDIFIGCSA-N 442.515 5.389 30 10 IKEE CCOc1cc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(Cl)c(Cl)c2)C3)ccc1O 21236346 XIUHSJGPQZCTLQ-CABCVRRESA-N 446.330 5.102 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)cc2Cl)cc1 21241278 GHMVZFHOEOAJFA-KSSFIOAISA-N 430.331 5.396 30 10 IKEE COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc1 21244089 SVZADJPLPLXSFD-QLXKLKPCSA-N 430.935 6.328 30 10 IKEE Clc1ccc(C2=NN(c3ccc(/C=N/c4ccccc4)cc3)[C@H](c3ccccc3)C2)cc1 27474044 DFEQTOYKKZYOKV-LUJVFJMUSA-N 435.958 7.446 30 10 IKEE COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccccc2F)cc1OC 33324897 BRUBXGKOVGUKFP-WNSKOXEYSA-N 434.467 5.098 30 10 IKEE Clc1ccc(COc2ccc(/C=N\Nc3nc4ccccc4s3)cc2)c(Cl)c1 33395418 YRILAAGUUZKFFU-MSXFZWOLSA-N 428.344 6.628 30 10 IKEE C=Cc1ccc(COc2ccc3c(c2)O/C(=C/c2ccc(OC)c(OC)c2OC)C3=O)cc1 35190404 INMKAJNEUBJWDH-ZVHZXABRSA-N 444.483 5.551 30 10 IKEE COc1cc(C(=O)Oc2ccc(C(=O)/C=C\c3ccc(C)cc3)cc2)cc(OC)c1OC 35352154 ZSEHRJAFDSMNJB-ZROIWOOFSA-N 432.472 5.136 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCCC)c2)[C@H]1c1cccc(OCC)c1 40101524 TZHOXMZOZVTUSR-HSZRJFAPSA-N 437.536 5.253 30 10 IKEE C=CCc1ccccc1OCCCn1c([C@H](C)NC(=O)c2ccccc2)nc2ccccc21 40186200 YHPQVWGMHACDOT-NRFANRHFSA-N 439.559 5.725 30 10 IKEE C=CCc1ccccc1OCCCCn1c(CCCNC(=O)C2CC2)nc2ccccc21 40205050 MZCRYAFBQNKKBW-UHFFFAOYSA-N 431.580 5.083 30 10 IKEE C=CCc1ccccc1OCCCn1c(COc2cccc3ccccc23)nc2ccccc21 40238136 BSELOUCSRUZVPL-UHFFFAOYSA-N 448.566 6.966 30 10 IKEE Cc1c2c(cc3c1O/C(=C\C=C\c1ccccc1)C3=O)CN(Cc1ccc(F)cc1)CO2 41588521 URDOEZMPAWZNIY-CLMGESTGSA-N 427.475 5.659 30 10 IKEE O=C1/C(=C/c2ccccc2)S/C(=N/N=C\c2cc(Cl)ccc2O)N1Cc1ccco1 47139093 KIZOGBULFTVMJK-KYEARXOBSA-N 437.908 5.145 30 10 IKEE COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@H]3/C=C\c2ccccc2)cc1 50860617 LFSSYFWGTHSGLA-XWWXRNDMSA-N 447.538 6.126 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2CCc2ccccc2)cc1 54143213 LZBHQYAFOIAYCR-VWLOTQADSA-N 434.580 5.086 30 10 IKEE CCOC(=O)c1sc(/N=C/c2cccc(OCc3ccccc3)c2)c(C(=O)OC)c1C 59461206 MDRARBPDBFTTKP-AFUMVMLFSA-N 437.517 5.349 30 10 IKEE C=C(C)COc1cccc(NC(=O)CNc2ccc(OCCCc3ccccc3)cc2)c1 66063494 AQSMLVDNNWFEJN-UHFFFAOYSA-N 430.548 5.704 30 10 IKEE O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)S/C(=N/c2cccnc2Cl)N1c1ccccc1 101126883 HSJJOLZWCZLKKX-QACXOHACSA-N 436.880 5.452 30 10 IKEE COc1cccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 102705126 ILMUDAQOQIFPLP-UGUGFTGJSA-N 442.515 5.014 30 10 IKEE CCCCCCCCCN1C(=O)[C@H](C)Oc2ccc(-c3csc(CCOC)n3)cc21 103757662 WHTMIUNYPSOOHL-SFHVURJKSA-N 430.614 5.864 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2ccc(C)cc2)c1 169934397 IKRDNWJIGMVYKD-DEOSSOPVSA-N 438.483 5.268 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2C2CCCC2)cc1 170033991 OSKPAQQAIWTLQZ-QHCPKHFHSA-N 435.520 5.005 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccc(C)cc2)c1 170036813 FTZHAXMHMVJLRK-VWLOTQADSA-N 441.527 5.793 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2ccccc2)cc1 170052614 RXOJUTOLSIQAHJ-DEOSSOPVSA-N 427.500 5.485 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2c[nH]c3ccccc23)cc1 170078235 JDCSGSSMIOYIIQ-XMMPIXPASA-N 428.532 5.641 30 10 IKEE Cn1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccco2)c2ccccc21 170084489 GWKPWODZYBBCHH-JOCHJYFZSA-N 446.890 5.203 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc(OC)c2)c1 170119174 COYQPSLVGNIWEJ-DEOSSOPVSA-N 449.547 5.395 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccc(C)c2)cc1C 170142197 UAZDLFWKQRGFTA-VWLOTQADSA-N 441.527 5.793 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(C)c2)cc1 170142232 WXOANSRWWCRFIM-IQGLISFBSA-N 439.511 5.410 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1cccc(C)c1 170147620 MOYWZVKHACAMHI-QFIPXVFZSA-N 437.923 6.163 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@H]1c1cccs1 170160937 JPLBNVMZERREFY-NRFANRHFSA-N 437.492 5.296 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1cccnc1 170188021 LRJYNRYIIUOZAX-QHCPKHFHSA-N 442.515 5.171 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2cccnc2)cc1C 170188623 SMNHFGHCYFJNHI-QFIPXVFZSA-N 448.906 5.225 30 10 IKEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)c(F)c4)[C@H]3c3ccccc3)ccc2O1 170223222 GRVYRTVXLXAUDG-PSLXWICFSA-N 447.437 5.071 30 10 IKEE COc1c(Cl)cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2)cc1Cl 170233919 SFHCKSQFHSUNSK-IBGZPJMESA-N 446.330 5.523 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)cc1 170238609 UJTXASNVOBYMRA-HSZRJFAPSA-N 449.453 5.537 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(F)cc2)c1 170239764 ZOJPVLOKAMFWKA-XMMPIXPASA-N 445.490 5.706 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2C)c(OCC)c1 170278373 WRSGWDNBJIJIII-DEOSSOPVSA-N 449.547 5.313 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@H]1c1ccco1)c1ccc2c(c1)CCCC2 170287237 NQXHSYQOEUYXLO-SANMLTNESA-N 449.506 6.095 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2c2ccc(F)c(F)c2)o1 170299307 YOSHNUHZGVLNDD-QHCPKHFHSA-N 449.453 5.528 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2ccc(F)cc2)o1 170299736 IFQQSOTXKJFKKL-QFIPXVFZSA-N 435.451 5.297 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(C)o2)cc1C(C)(C)C 170302678 XFFIRBWFAXQULX-HSZRJFAPSA-N 445.515 5.677 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2cccc(OC(C)C)c2)c1 170474755 DOQNGOLBYICYQP-HSZRJFAPSA-N 447.487 5.248 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2nc3ccc(C(C)C)cc3s2)[C@@H]1c1cccs1 170477708 BKYNUGPQMCKTNM-HXUWFJFHSA-N 440.590 5.996 30 10 IKEE CCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cc(Cl)ccc1Cl 252604181 FXVWHACBOFDDJZ-INIZCTEOSA-N 440.327 5.113 30 10 IKEE CC(C)(C)C1=CC(=NN=C(c2ccccc2)c2ccccc2)[C@@H]2CN=N[C@@]2(C(C)(C)C)C1=O 254383164 AVACOHUQWPOENZ-RBISFHTESA-N 440.591 6.302 30 10 IKEE CCCCCCCCCCC[C@H](C[C@@H]1OC(=O)[C@@H]1CCCCCC)O[C@H]1CCCCO1 256116094 DQBLJAKEKGPLCT-XPGKHFPBSA-N 438.693 7.721 30 10 IKEE C=CC/N=c1/scc(-c2ccc(Cl)cc2)n1NC(=O)c1cccc(Br)c1 261492747 OAVWKEFHGZXQTP-ZBJSNUHESA-N 448.773 5.103 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Br)ccc1F)NCCC 406723182 VENXZWAMHYLZFG-MOPGFXCFSA-N 443.401 5.358 30 10 IKEE C=C[C@@H]1OC(C)(C)O[C@H]1[C@@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1 504134782 IFKBNLONMTWHJO-GSDHBNRESA-N 430.544 5.062 30 10 IKEE CCOc1cccc([C@H]2C(c3ccc(OC)cc3)=C(O)C(=O)N2c2ccccc2C#N)c1 526603472 FJMTUPABQKEXPW-DEOSSOPVSA-N 426.472 5.023 30 10 IKEE CC(C)COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccc(O)c2)c1 526604305 HELDHJKSGAVKCC-RUZDIDTESA-N 440.499 5.356 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1ccc(OC)c(OCC)c1 526803104 RKYFRYZNLHNAIK-MYYYXRDXSA-N 442.560 5.342 30 10 IKEE CCc1nnc(SCc2ccccc2F)n1/N=C\c1ccccc1COc1ccccc1 526803498 WKZVGNZAKARADK-YUMHPJSZSA-N 446.551 5.733 30 10 IKEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1cccc(C(F)(F)F)c1 526813999 ILTJWEBHIYYOJH-OPVMPGTRSA-N 445.297 6.087 30 10 IKEE COc1cc(/C=N\n2c(C)nnc2SCc2ccccc2Cl)cc(Cl)c1OC 526815553 BEEWEXQRDLVZKR-YVNNLAQVSA-N 437.352 5.085 30 10 IKEE Cc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccc(OCc2ccccc2)cc1 526815836 RKWQPFHDHMYZLZ-YSMPRRRNSA-N 448.979 5.993 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1ccc(CC)cc1 526824415 YBTNQUOMNBWVGC-CFRMEGHHSA-N 433.408 6.274 30 10 IKEE CCCCC1CCC(C(=O)NC2CCC(OS(=O)(=O)c3ccc(C)cc3)CC2)CC1 586506767 BJJIQMYXDMKRHG-UHFFFAOYSA-N 435.630 5.124 30 10 IKEE CN(C(=O)Nc1ccc(C(=O)Nc2scc(C(C)(C)C)c2C#N)cc1)C1CCCCC1 586683369 UZRKXYSEYJWGPM-UHFFFAOYSA-N 438.597 5.966 30 10 IKEE C=C(CC)C[C@@H](NCCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 693692323 HNMLLQMKUOLLPY-HSZRJFAPSA-N 429.649 5.270 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCN(C(=O)OC(C)(C)C)CC2)cc1 704046329 XORURILYXXQLPT-XMMPIXPASA-N 445.560 5.120 30 10 IKEE Cc1cc(C)c(CSc2n[nH]c(NN=Cc3cccc(Br)c3)n2)c(C)c1 1084161848 ZSEXBTLCFOQEBI-UHFFFAOYSA-N 430.375 5.231 30 10 IKEE Cc1ccc(COc2cccc(/C=C3/SC(=Nc4cccnc4Cl)N(C)C3=O)c2)cc1 1772736209 KRTRUILYMWROQJ-RWYGKYMDSA-N 449.963 5.856 30 10 IKEE COc1ccc(/C=C2/SC(=Nc3cccc(C)n3)N(C3CCCCC3)C2=O)c(OC)c1 1772738501 SGYGMZCFXCJGHZ-MALGGUPZSA-N 437.565 5.344 30 10 IKEE Cc1cc(C)cc(NC(=S)N/N=C\c2cn(-c3cccc(F)c3)nc2-c2cccs2)c1 1857808339 CLNZVENZVLATIX-MXAYSNPKSA-N 449.580 5.677 30 10 IKEE N#Cc1ccccc1S(=O)(=O)Nc1ccc(Nc2ccc(Oc3ccccc3)cc2)nc1 1858438049 ULKBRTXHNLRYLI-UHFFFAOYSA-N 442.500 5.290 30 10 IKEE N#Cc1ccccc1NC(=O)CCCCCCCCCCN1C(=O)c2ccccc2C1=O 1859471401 VIQMXKOKYPWZQJ-UHFFFAOYSA-N 431.536 5.304 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)c1c(C)ccc2ccccc12 1860987590 WITRELOFIYZHCS-RUZDIDTESA-N 438.656 6.694 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)/C=C/c1cccc(Cl)c1 1861545228 AHJXXOVEUQDAKH-SQAMQDMYSA-N 435.052 6.285 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2Cl)=C(O)C(=O)N1CCC(C)C 1862383554 UZUCAJMMRCHUKF-FQEVSTJZSA-N 432.347 5.926 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CCCCCC2)c1 1862431840 POCKUMWWKPOJQO-JOCHJYFZSA-N 439.939 5.650 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(F)cc1F 1862432981 RLBXAZRDODYWNO-HXUWFJFHSA-N 449.881 5.012 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCCCCC2)c1 1862443311 OJYVOZPIXOHSEI-HSZRJFAPSA-N 437.967 6.340 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccc(C)cc2)cc1 1862476041 ABHBLNAJPKZBGZ-XMMPIXPASA-N 427.500 5.091 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2cccc3ccccc23)cc1 1862480741 NISCPBKHRLUATQ-VWLOTQADSA-N 443.543 5.542 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CC(C)C)cc1 1862511477 OUSSDUYLMJVDEW-QFIPXVFZSA-N 425.500 5.157 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 1862521402 HVWBSGDCMWAYAU-FQEVSTJZSA-N 448.346 5.769 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@@H]2c2ccccc2F)cc1 1862529860 KSDOOBIXXPJHAG-XMMPIXPASA-N 445.490 5.175 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@H]2c2ccccc2C)cc1 1862533314 LHUZKKMPSPSEOS-DEOSSOPVSA-N 445.946 5.989 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2C(=O)O)cc1 1862616481 SFBBUPAFFKJDEK-QFIPXVFZSA-N 447.531 5.203 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(Cl)cc1 1862712766 YZTKEMQUMRZNEE-HSZRJFAPSA-N 449.934 5.498 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCCCO)[C@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1 1862721847 JYQKTQPNUQSEIS-VWLOTQADSA-N 441.527 5.095 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCCCCCCC)cc2)[C@H]1c1ccccc1C 1862732580 JDZQQCURIULVQU-RUZDIDTESA-N 447.575 6.109 30 10 IKEE Cc1ccccc1NC1=C(c2cc(Cl)ccc2Cl)C(=O)N(c2ccc(C#N)cc2)C1=O 1863015879 LGRCTCRARNEMMD-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE N#Cc1ccc(N2C(=O)C(Nc3ccc(Cl)cc3Cl)=C(c3cccs3)C2=O)cc1 1863110224 BXKLOQYXDDFGGM-UHFFFAOYSA-N 440.311 5.323 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(F)cc3)C2=O)cc1 1863151886 NGSRXWVHNUJNMN-KRWDZBQOSA-N 439.490 5.213 30 10 IKEE CCCCCCCCCCNC1=C(c2cc(OC)ccc2OC)C(=O)N([C@H](C)CC)C1=O 1863716468 GMADUIYXXUNORF-LJQANCHMSA-N 444.616 5.313 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)NCC[C@@H](C)c1ccc(OC)cc1 1866030020 UPHWKZDGPXFVLN-AREMUKBSSA-N 445.732 8.567 30 10 IKEE CC(C)c1nc(Nc2cccc(C#N)c2)cc(N2C[C@@H](C)N(c3ccccc3)[C@H](C)C2)n1 1868221128 FRRLXWCHOOLQFN-WOJBJXKFSA-N 426.568 5.319 30 10 IKEE COc1ccc2c(c1)C[C@H](C)CN2c1cc(Nc2ccccc2C#N)nc(-c2ccccc2)n1 1868373633 XNGQHAFVENQPCJ-IBGZPJMESA-N 447.542 6.098 30 10 IKEE CCCc1nc(Nc2cccc(C#N)c2)cc(N2CCS[C@H](c3ccc(OC)cc3)C2)n1 1868378414 LNCQFUXOOQWDNQ-QFIPXVFZSA-N 445.592 5.347 30 10 IKEE CCCCCCCCn1cc(OCc2ccc([N+](=O)[O-])cc2)c(=O)cc1CSCC 1870190672 QTABBPLOOWVULS-UHFFFAOYSA-N 432.586 5.949 30 10 IKEE CCCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSc1ccc(C)cc1 1870232915 OXLZVVZKOWSAGW-UHFFFAOYSA-N 446.616 6.480 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(F)cc2)c(CN2C[C@@H](C)C[C@@H](C)C2)cc1=O 1870410679 AUHYIFOSKRIILU-SZPZYZBQSA-N 442.619 5.863 30 10 IKEE CCCCCCCCn1cc(OCCCCCC)c(=O)cc1CN(CCO)CCCC 1870676138 BHERQOZRBUNMGY-UHFFFAOYSA-N 436.681 5.762 30 10 IKEE C=CCn1cc(OCCCCCCC)c(=O)cc1CNc1ccc(N(CC)CC)cc1 1870835805 KCPHIDRPTRPPQW-UHFFFAOYSA-N 425.617 5.842 30 10 IKEE C#CCOc1cn(Cc2ccc(Cl)cc2)c(CNc2ccc(C)c(Cl)c2)cc1=O 1871010764 RUQMNTDUIZSZKG-UHFFFAOYSA-N 427.331 5.136 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(C(C)C)cc1)C3=O)CN(CCCn1ccnc1)CO2 1871354907 HIGQFMJCTUKVGL-CFRMEGHHSA-N 443.547 5.173 30 10 IKEE Cc1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)c1C 1871413489 HYWGSDDFEGRCKG-GHRPQRKGSA-N 431.463 5.465 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1cc(C)c2c(c1)O/C(=C\c1cccs1)C2=O 1871429495 QAVHECJBKRWZRN-CBAAQYGVSA-N 428.550 5.954 30 10 IKEE CCN(CC)CCOc1cc(C)c2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O 1871451620 FBUFGSQBJXVTIX-MOSHPQCFSA-N 430.342 5.094 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)CCCC 1872299247 YDGBQHPMSUXQSP-HXUWFJFHSA-N 429.026 5.010 30 10 IKEE CCCCCCCCCCNC(=O)Cc1nonc1OCCCOc1ccc(CC)cc1 1872654229 PZUDWALZSFJKPU-UHFFFAOYSA-N 445.604 5.279 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)c(C)c1C 1872778949 YEEBDWCFNFCSBB-INIZCTEOSA-N 441.896 5.487 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C(C)(C)C)c2)cc2c(NCc3ccccc3)ncnc21 1873608579 JNMGPPYSZAVCHN-UHFFFAOYSA-N 439.563 5.779 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(OC)cc2C)cc2c(NCc3cccc(C)c3)ncnc21 1873617903 NYWJYOABCIAFME-UHFFFAOYSA-N 441.535 5.107 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cc3ccccc3)cc2)cc2c(N3CCCC3)ncnc21 1873650112 BVLDZPIJLYEUMY-UHFFFAOYSA-N 437.547 5.061 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(Cl)c2C)cc2c(N(CCC)CCCC)ncnc21 1873659488 UIOVUATVSDGZIF-UHFFFAOYSA-N 439.991 5.848 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1cccc(C)c1 1874214359 ISLIUAAQMWIGJD-LFVJCYFKSA-N 428.989 5.636 30 10 IKEE Cc1ccc(/C=N/n2c(Cc3ccc(C)c(C)c3)nnc2SCCc2ccccc2)cc1 1874358389 FAXDQBICNAZFFZ-TURZUDJPSA-N 440.616 6.011 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(Cl)c(Cl)c1 1874366959 CZTIFBOMJKKJOK-AUEPDCJTSA-N 437.783 6.456 30 10 IKEE Cn1cccc1/C=N/n1c(COc2ccccc2)nnc1SCc1ccc(Cl)cc1 1874385454 PUAGQXUETXFFQA-ZVHZXABRSA-N 437.956 5.024 30 10 IKEE COc1ccccc1/C=N/n1c(Cc2ccc(C)cc2)nnc1SCc1ccccc1F 1874389508 QXCFAOUOEAPHJZ-JVWAILMASA-N 446.551 5.500 30 10 IKEE Cc1ccc(CSc2nnc([C@@H](C)c3ccccc3)n2/N=C/c2cccc(C)c2)cc1 1874391462 IEFZYWWMQZEJEI-XLKFHUSGSA-N 426.589 6.221 30 10 IKEE Cc1cccc(CSc2nnc([C@@H](C)c3ccccc3)n2/N=C/c2ccc(F)cc2F)c1 1874394881 YAHPWJCWOLYJFL-UEYIPHHSSA-N 448.542 6.191 30 10 IKEE COc1ccccc1/C=N/n1c(Cc2ccccc2)nnc1SCc1cccc(C)c1 1874415707 DRIYEEGFJHFZAH-YZSQISJMSA-N 428.561 5.360 30 10 IKEE O=[N+]([O-])c1cccc(/C=N/n2c(SCc3ccccc3F)nnc2-c2ccccc2)c1 1874428075 QIJUXPURWVZCSH-ZVHZXABRSA-N 433.468 5.167 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1cccc(Cl)c1 1874439037 GRBTUNIIIDKOCF-YDZHTSKRSA-N 443.960 5.603 30 10 IKEE COc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C2CCCC2)cc1 1874458042 UOXRPGLDEJTDBC-DHRITJCHSA-N 444.963 5.911 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1cccc([N+](=O)[O-])c1 1874508593 LWLUFVFUSPLNKI-BUVRLJJBSA-N 431.521 5.467 30 10 IKEE CCN(CC)C(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(OC)c(OC)c1 1874572756 DCVXAOPCRYLQIE-BUHFOSPRSA-N 447.531 5.000 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)N[C@H](C)c2ccccc2)cc1C 1874587773 CSDOBANLRPTXKI-VSFZPWCASA-N 447.962 6.109 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2c(OCC(=O)OCC(C)C)ccc3ccccc23)cc1C 1874591043 PNZKQNBXSKTEQZ-VAWYXSNFSA-N 446.543 5.939 30 10 IKEE C=C(C)COc1c(OC)ccc(/C=C/C(=O)c2ccc(OCCC)cc2)c1Br 1874596588 ZSUPTCAEEPCRKC-XYOKQWHBSA-N 445.353 6.098 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OCC(=O)Nc1nccs1 1874597586 VJIWGKNRTXOHLU-ONNFQVAWSA-N 436.533 5.189 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OCc1ccc(Cl)cc1Cl 1874597915 KYBHIQRAUSJHDY-KRXBUXKQSA-N 449.280 6.755 30 10 IKEE CCc1ccccc1NC(=O)COc1cccc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)c1 1874599883 JETHMJDVXFXLAS-ACCUITESSA-N 449.934 5.825 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1 1874606283 GLYXSUJEWFZPGR-GFCAVMEOSA-N 441.571 6.182 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc(OC)c1OCc1ccc(F)cc1 1874606783 GZTVZDYGQLPPII-UKTHLTGXSA-N 446.518 6.355 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OC 1874617504 FOIMUKNTUCZYIY-SDNWHVSQSA-N 443.543 5.788 30 10 IKEE C=CCOc1c(Br)cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OCC 1874635871 ZUDHUIVHLSXGQI-CMDGGOBGSA-N 429.354 6.234 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OCc2nc(O)c3ccccc3n2)cc1 1874638848 VQFSGHHAVBHJNV-XYOKQWHBSA-N 446.890 5.473 30 10 IKEE C[C@@H](Oc1ccc(Cl)cc1)C(=O)Oc1cccc(/C=C/C(=O)c2ccc(F)cc2F)c1 1874699875 QVSILHCEAIXVSL-FDYAIDJWSA-N 442.845 5.887 30 10 IKEE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Oc1cccc(/C=C/C(=O)c2ccccc2)c1 1874700176 FPDWLBDXNCWOKD-TYZQSYOASA-N 441.310 6.262 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cccc(OC(=O)CCCOc3ccccc3Cl)c2)c1 1874703163 BSXITBXSEHNUBF-CCEZHUSRSA-N 448.946 6.618 30 10 IKEE CCCCCCCCC(=O)Oc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OC 1874709984 SFVMLCWBAPOQSZ-GXDHUFHOSA-N 430.491 6.526 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)Cc3cccs3)c2)cc1C(C)C 1874710592 FLUJSISJLVPKMC-ZHACJKMWSA-N 434.557 6.233 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1cccc(/C=C/C(=O)c2ccc(F)c(F)c2)c1 1874711229 WFEIJVMBURVHKQ-WUXMJOGZSA-N 426.846 6.053 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccccn3)c2)c1 1874713297 PMWGZUYECYSSNE-FMIVXFBMSA-N 447.487 5.003 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)Cc1ccc(C)cc1 1875098710 IRQDNJUSYLVHQH-RVDMUPIBSA-N 440.539 5.927 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2cccc(OC)c2)cc1OCC 1875100945 LDACQBXSGVKUJK-BUHFOSPRSA-N 444.955 6.519 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)cc1 1875103534 DDZOWLKESAZFBI-RIYZIHGNSA-N 439.338 6.600 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3Br)cc2)cc1 1875103668 KECJCDZKCFPBDW-LFIBNONCSA-N 435.317 6.127 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Br)c(OC(=O)C(C)C)c(OC)c2)cc1C 1875109364 KQFVDBUXFBXBDP-SOFGYWHQSA-N 447.325 5.232 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)c1ccc(F)cc1F 1875119737 KFFQBYYODLZDGL-XYOKQWHBSA-N 438.426 5.487 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1Br)c1cccs1 1875120654 CZLCFWQZKPRCBG-XVNBXDOJSA-N 449.272 5.904 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)c1ccc(N(C)C)cc1 1875132044 CDJMBQQMXVQRMH-VGOFMYFVSA-N 449.934 5.838 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)CC(C)C)c(Br)c1 1875143303 SUAMVVIJCMYFFK-SOFGYWHQSA-N 431.326 5.614 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3OC)cc2Cl)cc1 1875143413 XYOTZDKZDAKZCA-XYOKQWHBSA-N 434.919 6.335 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC(=O)COc1ccccc1 1875145627 PRNAKJGPKKXXTH-ACCUITESSA-N 446.499 5.283 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc(Cl)c1OC(=O)CC(C)C 1875170575 FRSZTAMBUHKTQY-CMDGGOBGSA-N 444.955 6.212 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)c1ccc(F)cc1 1875182650 NTIHJOMPSHCCIK-IZZDOVSWSA-N 448.490 5.883 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)cc3)c(OC)c2)cc1C 1875189826 KCFPJZOFOFGVLK-YRNVUSSQSA-N 448.490 5.504 30 10 IKEE O=C(Nc1cccc(-c2ccc(C(F)(F)F)cc2)c1)c1cccc(C(F)(F)F)c1F 1891349362 FLIVKHNVZVVRQZ-UHFFFAOYSA-N 427.319 6.783 30 10 IKEE CC1(C)CC[C@H](Nc2ccc(C#N)c(Br)c2)[C@H](CNC(=O)OC(C)(C)C)C1 1927067680 FAFZXYYDARKHOX-YJBOKZPZSA-N 436.394 5.452 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1944695983 VUKBNCDPWGVUEI-AZUAARDMSA-N 429.561 5.276 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)CC1(C)C 1949561659 RXWKTHTWNFGHJF-HSZRJFAPSA-N 433.524 5.249 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@H]1CC[C@](F)(CNC(=O)OC(C)(C)C)CC1 2008941443 APZCHXHJRMHYKW-WRALFONMSA-N 434.596 5.161 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 2037322286 SZVJHKMPJXPYCN-DEOSSOPVSA-N 445.535 5.251 30 10 IKEE O=C1C(=Cc2ccc(O)c(Cl)c2)CN(CC(F)F)CC1=Cc1ccc(O)c(Cl)c1 2042437319 MHMKQVYLBGJCLQ-UHFFFAOYSA-N 440.273 5.021 30 10 IKEE COc1ccc(C=CC(=O)c2c(O)nc3ccc(C)cc3c2-c2ccccc2)cc1OC 2053490334 BZALJEZENKRHHS-UHFFFAOYSA-N 425.484 5.829 30 10 IKEE O=C(C=C1CCCC1)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071345237 OGRDZAUNYPAERX-NDEPHWFRSA-N 428.528 5.948 30 10 IKEE Fc1ccc(C(F)(F)F)cc1Cn1nc(C2CCC2)c(Br)c1C(F)(F)F 2078995798 YTJAZRCSBDAOMO-UHFFFAOYSA-N 445.176 6.138 30 10 IKEE CC[C@@H](c1ccc(C)c(C)c1)n1nc(C(C)(C)C)c(/C=N/O)c1I 2078999454 PTJDCHWVCFOBGR-XYHOIZSOSA-N 439.341 5.210 30 10 IKEE CC(C)[C@@H](c1ccc(C2CC2)cc1)n1nc(C2CC2)c(C#N)c1I 2079026947 LSQPIURTUPQVJX-IBGZPJMESA-N 431.321 5.360 30 10 IKEE CC(C)c1ccc([C@H](n2nc(C(F)(F)F)c(C#N)c2Br)C(C)(C)C)cc1 2079982854 YMYZUISOIAMFJK-INIZCTEOSA-N 428.296 6.295 30 10 IKEE Cc1nn(C)c(Cl)c1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2118715163 OCDBGIKUCIUDKU-AWEZNQCLSA-N 439.741 5.151 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)C1(C#N)C[C@H]2CC(F)(F)C[C@@H]2C1 2160228777 HARNPDUORPJSMU-KBPBESRZSA-N 441.316 5.908 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H](Nc2ccc(C#N)c(Br)c2F)CC12CCCC2 2162311999 CGZPBSCMDDGVQY-AWEZNQCLSA-N 438.341 5.194 30 10 IKEE CCC1CCC([C@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)CC1 2168398190 UPJNCUKDLZLAOM-XWTGJVNOSA-N 435.406 6.689 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](CNc2ccc(C#N)c(Br)c2F)C12CCC2 2177325806 IWBAQNCFTJZBFS-AWEZNQCLSA-N 438.341 5.051 30 10 IKEE N#Cc1cc(F)c(NC[C@@]23CCC[C@H]2CCN3Cc2ccccc2)cc1Br 2197382552 PDQANSBCJGCIJZ-AVRDEDQJSA-N 428.349 5.317 30 10 IKEE CC(C)(C)OC(=O)NC1(COc2cc(Br)cnc2C#N)CCCCCCC1 2198816390 WTJCZXNRQCPFHT-UHFFFAOYSA-N 438.366 5.102 30 10 IKEE CCN[C@H](C#CC(C)(C)C)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2218443623 OWDSENFLJHFFME-AREMUKBSSA-N 427.588 6.545 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2sc(C)c(Br)c2C)cc1 2226502834 FRNFPHHOFWOSBL-MRXNPFEDSA-N 435.387 6.442 30 10 IKEE CCc1ccc(C#CC(=O)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)cc1 2231140548 OEPOIRURQXIZAY-NDEPHWFRSA-N 447.575 5.014 30 10 IKEE N#Cc1ccc(CNc2ccc(Br)cc2I)c(Cl)c1 2231675167 UHSIQADPPBVHSL-UHFFFAOYSA-N 447.501 5.191 30 10 IKEE CC(C)(C)OC(=O)NCC1([C@H](O)C#Cc2ccccc2Br)CCCCCC1 2235741381 TZJMZVZYDRJXSI-LJQANCHMSA-N 436.390 5.027 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCC1)[C@@H](C#N)c1cc(C(F)(F)F)ccc1Br 2236344803 PVYNFWPHVGLBMO-INIZCTEOSA-N 447.295 6.212 30 10 IKEE CC[C@@H](C)N(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2247887874 SMJCVZPRYSDCGL-QGZVFWFLSA-N 427.781 5.080 30 10 IKEE C=CCCC1(C(=O)c2sc(Br)c(C)c2C)CN(C(=O)OC(C)(C)C)C1 2254929234 XOUBYZNBLVLGFZ-UHFFFAOYSA-N 428.392 5.513 30 10 IKEE Cc1cc(C(=O)N(Cc2ccccc2)[C@H](C)C(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2255837851 WMTDAPWGPXGIRX-GOSISDBHSA-N 441.446 5.433 30 10 IKEE C=CCOc1ccc(C=C2SC(=S)N(c3ccc(OC)cc3)C2=O)cc1OCC 2293391489 HPZHFLVPEDXEJI-UHFFFAOYSA-N 427.547 5.065 30 10 IKEE C=C(C)[C@@H]1CC[C@@]2(C(=O)O)CC[C@H]3[C@@H](CC[C@H]4[C@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@]34C)[C@H]12 2294277101 KGUHFCVSCDQVEU-DGZHCSSUSA-N 442.684 6.699 30 10 IKEE COc1ccc(N=C2SC(=Cc3ccc(Br)o3)C(=O)N2CC(C)C)cc1 2294619885 HNSQPHVTLBICIO-UHFFFAOYSA-N 435.343 5.311 30 10 IKEE CCCCCCCCCCOc1ccc(C2=NC(=Cc3cccc(Cl)c3)C(=O)O2)cc1 2297297486 MBXRTUSGIPSVCA-UHFFFAOYSA-N 439.983 7.204 30 10 IKEE Clc1ccc(CSc2nnc(C3CC3)n2N=Cc2c(Cl)cccc2Cl)cc1 2320880753 SHAYUIBTMFYABG-UHFFFAOYSA-N 437.783 6.290 30 10 IKEE O=C(O)c1ccccc1C=Nn1c(SCc2ccc(Cl)cc2Cl)nnc1C1CC1 2320892281 NJSJNAIKFQHTPD-UHFFFAOYSA-N 447.347 5.335 30 10 IKEE CCC(CC)c1nnc(S)n1N=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 2321901437 LFNFIPRXVIXMHW-UHFFFAOYSA-N 449.407 6.238 30 10 IKEE COc1ccc(CCN2COc3ccc4c(c3C2)OC(=Cc2ccccc2Cl)C4=O)cc1 2321937381 OYQDNGYOHMTZFE-UHFFFAOYSA-N 447.918 5.359 30 10 IKEE CC(C)c1ccc(C=C2Oc3c(ccc4c3CN(Cc3ccc(Cl)cc3)CO4)C2=O)cc1 2321955356 XNHZXSHCUPTHTJ-UHFFFAOYSA-N 445.946 6.432 30 10 IKEE CCCCC[C@@H](CC)N1COc2c(cc3c(c2C)OC(=Cc2sccc2C)C3=O)C1 2322356836 UFOHUOUBNHLYJL-LJQANCHMSA-N 425.594 6.492 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(C)cc2)c1OCc1ccccc1Cl 2322593475 QUMUAIYRYVVKCG-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE O=C(C=Cc1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1ccc(Br)cc1 2323086087 RYRWCLNUNSFHGH-UHFFFAOYSA-N 438.277 5.832 30 10 IKEE O=C(COc1cccc(C=CC(=O)c2cccc3ccccc23)c1)Nc1ccccc1F 2323203428 HUFMGIBVPHKPGV-UHFFFAOYSA-N 425.459 5.893 30 10 IKEE COc1cc(C=Nn2c(S)nnc2C(C)C)ccc1OCc1ccc(C(C)(C)C)cc1 2323476554 UJUGDPUMKRQWSI-UHFFFAOYSA-N 438.597 5.458 30 10 IKEE Cc1c(OC(=O)c2cccc(Oc3ccccc3)c2)ccc2c1OC(=Cc1cccnc1)C2=O 2323561180 MEKJUFLKDAPQAL-UHFFFAOYSA-N 449.462 6.018 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cc(C)ccc3C)c([N+](=O)[O-])c2)cc1 2323909158 UCJMIGATRDPSQC-UHFFFAOYSA-N 444.487 5.434 30 10 IKEE COc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccc(C)cc4)cc(C)c3C2=O)cc1 2324373394 MBDJGNNZEPDWPX-SFHVURJKSA-N 443.499 5.334 30 10 IKEE COc1ccc(C=C(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)c2ccccc2)cc1OC 2324599005 BIGQDWXDIDAJMF-FQEVSTJZSA-N 432.545 5.701 30 10 IKEE COc1ccc(OCCOc2cc(C)c3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)cc1 2324684648 JDBBFMBVDBWHHK-UHFFFAOYSA-N 445.515 5.144 30 10 IKEE CCn1cc(C=C2Oc3cc(OCc4ccc(C#N)cc4)cc(C)c3C2=O)c2ccccc21 2324757133 YFPMQAREXNLEJQ-UHFFFAOYSA-N 434.495 6.037 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2Cl)C3=O)c(C)c1 2324893141 DPJIYPQGIMNISC-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE COc1ccc(CCOc2cc(C)c3c(c2)OC(=Cc2c(F)cccc2Cl)C3=O)cc1 2325631721 ORKXXCJHJRJLOD-UHFFFAOYSA-N 438.882 6.034 30 10 IKEE CC[C@H](C)c1ccccc1NC(=O)C(=O)C=Cc1ccc(OCc2ccccc2)c(OC)c1 2325651910 UMFKOSMNZHKZEH-FQEVSTJZSA-N 443.543 6.009 30 10 IKEE O=[N+]([O-])c1cc(C=Nn2cnnc2SCc2ccc(Cl)cc2Cl)ccc1Cl 2325668978 COHNMXWNGPMWET-UHFFFAOYSA-N 442.715 5.321 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1OC(=O)[C@H](C)c1ccccc1 2325699199 ZAWGDNIFPXVTQI-HXUWFJFHSA-N 436.507 6.454 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1OC(=O)c1ccccn1 2325708382 FPCMFSRIHUNBLH-UHFFFAOYSA-N 428.271 5.512 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)c2)cc1C 2325715131 GCNUFABAGJIPKC-XZOQPEGZSA-N 446.930 6.262 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1ccccc1)C2=O)Nc1cc(Cl)ccc1Cl 2325724469 GGZIDGOXPUWBRB-UHFFFAOYSA-N 440.282 5.627 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(F)cc4)cc(C)c3C2=O)cc1 2325728584 XVCMFTLHECIUII-UHFFFAOYSA-N 447.462 5.167 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(Cl)cc3)c2)cc1OC 2325730232 VBIMMIMWUFNXPP-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC(=O)c2ccc(C)c(C)c2)c1 2325752722 VFBHVYHQEYRZNI-UHFFFAOYSA-N 442.555 6.725 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cccc(OC(=O)CCCOc2ccccc2)c1 2325757628 VYVWWEHILRCMBP-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1cccc(OC(C)C)c1 2326417803 IEKJPXHTHPMXEZ-UHFFFAOYSA-N 436.625 6.199 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccc(Cl)cc3)n2N=Cc2ccccn2)c1 2327527198 QCXDYNGSWAJDTJ-UHFFFAOYSA-N 449.967 5.388 30 10 IKEE CCCSc1nnc(CCc2ccccc2C)n1N=Cc1ccc(Cl)cc1Cl 2329502916 OEMKZDANLMRJGW-UHFFFAOYSA-N 433.408 6.063 30 10 IKEE COc1ccc(C=Nn2c(Cc3ccccc3F)nnc2SCc2cccc(C)c2)cc1 2329715778 JZHRGAVRUGKXTG-UHFFFAOYSA-N 446.551 5.500 30 10 IKEE Cc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccccc2Cl)cc1 2330275720 JDHUIPKWJUDUDO-UHFFFAOYSA-N 439.028 6.537 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(OC)c1OC(=O)c1cccnc1 2330653972 PQMISNDFFDNRQY-UHFFFAOYSA-N 439.467 5.367 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2-c2ccccc2)cc1 2330672190 JJDDHECQJUQBBD-UHFFFAOYSA-N 442.588 6.135 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2sccc2C)c1 2331036162 XGKTZLHRQASCLU-UHFFFAOYSA-N 439.610 5.227 30 10 IKEE Cc1cccc(CSc2nnc(C3CCCC3)n2N=Cc2c(F)cccc2Cl)c1 2331045212 KKBKPMSQORMASO-UHFFFAOYSA-N 428.964 6.211 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OC(=O)c1ccc(F)c(F)c1F 2331108610 BFULQEYOTDYSFT-UHFFFAOYSA-N 448.343 5.506 30 10 IKEE Fc1cccc(CSc2nnc(-c3ccco3)n2N=Cc2ccc(Cl)c(Cl)c2)c1 2331187766 QEEGOMOMSOUJAG-UHFFFAOYSA-N 447.322 6.159 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC(=O)C(C)(C)C 2331240222 JYEUTNYTWIHTNB-UHFFFAOYSA-N 437.319 5.858 30 10 IKEE CC(C)Cc1nnc(SCc2cccc3ccccc23)n1N=Cc1cccc([N+](=O)[O-])c1 2331463923 DUABCZOJPZCYEN-UHFFFAOYSA-N 445.548 5.713 30 10 IKEE C=CCSc1nnc(C2CCC2)n1N=Cc1ccc(OCCCCCC)c(OC)c1 2331532508 NVNLNMBBMZVHJW-UHFFFAOYSA-N 428.602 5.674 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)cc1)c1ccc(F)c(F)c1 2331555264 WZRBEMRTTMKTOH-UXHICEINSA-N 438.857 6.223 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc(OC)c1OC(C)=O 2331597122 AWJFOYPKDHLFAX-UHFFFAOYSA-N 428.484 6.037 30 10 IKEE CCN[C@H](C#C[C@@H]1CC1(F)F)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2341058649 FLXZHYKXYXYGTH-IUODEOHRSA-N 429.305 5.105 30 10 IKEE CCCCCCCCC[C@@H](N)[C@H](O)c1sc(Cl)cc1I 2366647368 GDTWXVMKMPFECU-OCCSQVGLSA-N 429.795 5.508 30 10 IKEE Cc1cc(Br)c(C(=O)N2CC[C@](C)(B3OC(C)(C)C(C)(C)O3)C2)cc1Cl 2368344334 YPUOHAGTGLTWFZ-IBGZPJMESA-N 442.590 5.109 30 10 IKEE CCc1ccc(C#N)c(Oc2cc(NC(=O)OC(C)(C)C)c(C)cc2Br)c1 2370355294 RSHRGDOPEZBDFL-UHFFFAOYSA-N 431.330 6.331 30 10 IKEE CC(C)COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 21246057 XJIPSLWYJLPTAX-XHCCPWGMSA-N 444.600 6.762 30 10 IKEE COc1cc(/C=C\C(=O)c2ccc(OC(=O)c3ccccc3C)cc2)cc(OC)c1OC 34954250 JNJQSTNNZROVBI-ZROIWOOFSA-N 432.472 5.136 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC(=O)c3ccccc3Br)cc2)cc1 34954830 RFWVBFLJLARQDR-OVCLIPMQSA-N 437.289 5.573 30 10 IKEE COc1ccccc1/C=C\C(=O)c1ccc2c3c(cccc13)C(=O)N(c1ccccc1)C2=O 97359917 DGBLIWLOEONNDJ-VKAVYKQESA-N 433.463 5.545 30 10 IKEE CCN1C(=O)C[C@@H](C(=O)Nc2ccc(C)cc2C)S/C1=N\c1ccc(C)c(Cl)c1 100194240 OMRRAHKGRNEXRB-COPMAWBXSA-N 429.973 5.245 30 10 IKEE C=CCN1C(=O)/C(=C/c2cccc(Cl)c2)S/C1=N/c1nc(-c2ccccc2)cs1 101130547 QDADWIPBCWQVBO-SFLUQZEPSA-N 437.977 6.254 30 10 IKEE COc1cc(OC)c(OC)cc1/C=C1/Oc2cc(OC/C=C\c3ccccc3)ccc2C1=O 102732357 OFJJUNUHELSILW-QAWNZVEMSA-N 444.483 5.421 30 10 IKEE CCN1/C(=C\C(=O)COC(=O)c2ccc(Cl)cc2)C(C)(C)c2c1ccc1ccccc21 102933957 YQXZMDREXDFLTM-HAHDFKILSA-N 433.935 5.921 30 10 IKEE CCCCCCCCCCOC[n+]1ccn(C)c1C(O)(c1ccccc1)c1ccccc1 103007261 SIECTVICXNOGFI-UHFFFAOYSA-N 435.632 5.712 30 10 IKEE C=C(C)[C@H]1CC[C@@]2(CO)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@H]12 118922256 FVWJYYTZTCVBKE-CKUFVJCJSA-N 442.728 6.997 30 10 IKEE CCCc1nnc(SCc2ccc(Br)cc2)n1/N=C\c1cccc(C)c1 135883641 ZQUZQEIDESJLRL-XKZIYDEJSA-N 429.387 5.476 30 10 IKEE C=CCn1c(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)c(C)c2cc(C(C)C)ccc21 169874294 YPXJSTPYUBYSQC-UHFFFAOYSA-N 429.589 6.943 30 10 IKEE CCOc1cc(/C=N\n2c(CC)nnc2SC)ccc1OCc1ccccc1Cl 169915227 RMFWHILWXYIJLV-QRVIBDJDSA-N 430.961 5.076 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccnc1 170009470 YUERSORZBNIGNF-FQEVSTJZSA-N 439.298 5.480 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccccc2F)cc1 170070811 DOSMWOUBSLSMKT-QFIPXVFZSA-N 435.882 5.824 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@H]2c2ccc(C)o2)cc1 170101866 BXLNLTGVEIQORJ-NRFANRHFSA-N 437.879 5.341 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(O)cc1 170135704 JPUIMARQQQUHQA-DEOSSOPVSA-N 447.575 5.909 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@@H]1c1ccccn1 170171876 IEPRQWSNQAWPLJ-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@H]1c1cccnc1 170187354 CAJLWEIEEGGNDB-QHCPKHFHSA-N 442.515 5.107 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@@H]1c1cccc(OCC)c1 170217934 DBCLQHNJUPHYJR-QHCPKHFHSA-N 437.536 5.108 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccccc1 170222596 PCWRATAWMILVKY-NRFANRHFSA-N 437.854 5.271 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2)cc1 170223473 PYHPEPWGXYSYQL-QHCPKHFHSA-N 431.463 5.397 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccc2)cc1Cl 170228763 HEIGSVIPQNDFTD-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1ccc(CC)cc1 170268306 RONMKIDVNXTTSM-DEOSSOPVSA-N 435.564 5.806 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2C)cc1 170272501 VFDKLBSBCNPNAQ-XMMPIXPASA-N 427.500 5.485 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccccc2C)cc1 170272562 GNUIWKWQSIVARA-AREMUKBSSA-N 433.507 6.240 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccco2)cc1C 170296206 BOMXMKIUYBTNJY-QHCPKHFHSA-N 449.478 5.294 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1c(C)[nH]c2ccccc12 170311809 WFEJHARVLZEGGG-XMMPIXPASA-N 446.547 5.642 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@@H]1c1c(C)[nH]c2ccccc12 170312409 FHBVHIONHHWSTL-QHCPKHFHSA-N 432.520 5.090 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3c(c2)CCCO3)=C(O)C(=O)N1c1ccccc1 170315008 TYCNGKIQHUCZHF-OAQYLSRUSA-N 431.513 5.164 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(C(C)C)cc2)cc1 170378566 GJMKDRQNEZOGCR-DEOSSOPVSA-N 445.584 6.778 30 10 IKEE CCCCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(CC)cc2)cc1 170391697 PETRTIJUKAPQOZ-SANMLTNESA-N 439.555 6.375 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)NCCn1ccc2ccccc21 170484315 SYFNMJDWXHRTGO-UHFFFAOYSA-N 426.689 8.019 30 10 IKEE C=C[C@H]1c2ccccc2N(S(=O)(=O)c2ccc(C)cc2)[C@H]1C(=O)c1ccc(Cl)cc1 220747479 VWMVDXOXCBVOSZ-NZQKXSOJSA-N 437.948 5.378 30 10 IKEE C=C[C@H]1c2ccc(Cl)cc2N(S(=O)(=O)c2ccc(C)cc2)[C@@H]1C(=O)c1ccccc1 248008474 HVLSOJFEZBFVNK-REWPJTCUSA-N 437.948 5.378 30 10 IKEE COc1cccc(/C=C2/SC(=Nc3ccccc3)N(CCc3ccccc3)C2=O)c1O 252616694 KDRHSIVWJBNKAY-FLDUPFSJSA-N 430.529 5.248 30 10 IKEE COCc1cc(C)nc(SCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1C#N 254590644 BZKMWKOJZLQKNX-UHFFFAOYSA-N 431.521 5.554 30 10 IKEE CCCCCCCCC[C@H](N)c1ccc(Br)cc1NC(=O)OC(C)(C)C 406506771 SQIPOMJWUDKWQS-SFHVURJKSA-N 427.427 6.937 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)ccc(F)c1Br 407114743 GQXDEXYAAITZIN-MAUKXSAKSA-N 447.364 5.628 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2cccc(F)c2)cc1 526829613 RMHVSFYIYWTCHK-MYYYXRDXSA-N 447.495 5.091 30 10 IKEE Cn1c(=NN=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)sc2ccccc21 606347181 NEZWYJVHPSJTLQ-UHFFFAOYSA-N 449.539 5.774 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(OC)c(OC)cc1Br 698463057 DIORRDCRKWERDL-WFASDCNBSA-N 427.339 5.067 30 10 IKEE CCCCCCCC[C@@H](NCCC)c1scc(Br)c1Br 705517279 OPYPNJFVLYQSSZ-CQSZACIVSA-N 425.274 7.064 30 10 IKEE C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(OCC)cc2)[n+]2ccc(CCC)cc2)c1 726573017 VQJSYHSKPPGLRJ-UHFFFAOYSA-O 443.592 5.630 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=Nc1nc(C)cs1 1772737008 VVUFHMFGCIFWPN-SJXTUUAMSA-N 440.506 5.244 30 10 IKEE C=CCOc1ccccc1/C=C1\SC(=Nc2cccc(C)n2)N(C2CCCCC2)C1=O 1772739546 WPBPOKAJZPHHGU-UECNKTLHSA-N 433.577 5.892 30 10 IKEE O=C1/C(=C\c2ccc(Cl)cc2)SC(=NN=Cc2ccc(O)cc2)N1Cc1ccco1 1772758125 PDOVIQGBJXRZLU-JQTCHMLUSA-N 437.908 5.145 30 10 IKEE Cc1ccccc1/C=C1/SC(=NN=Cc2ccc([N+](=O)[O-])cc2)N(Cc2ccco2)C1=O 1772759761 XXBOMPNRPGYMIM-JWIJGFOBSA-N 446.488 5.003 30 10 IKEE CCc1ccc(NC(=S)N/N=C\c2cn(-c3cccc(C)c3)nc2-c2cccs2)cc1 1857809155 NJILTKBLVPGYIQ-MYYYXRDXSA-N 445.617 5.792 30 10 IKEE N#Cc1ccccc1NC(=O)c1cc(-c2cccc3ccccc23)n(Cc2ccc(F)cc2)n1 1859391674 HBYXJLSUSAXFMI-UHFFFAOYSA-N 446.485 6.015 30 10 IKEE Cc1nn(C)c2ncc(C(=O)Nc3oc(-c4ccccc4)c(-c4ccccc4)c3C#N)cc12 1859744145 SQVNXSPYUUJDBU-UHFFFAOYSA-N 433.471 5.328 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1ccc2cc[nH]c2c1)c1ccc(Cl)cc1Cl 1862380381 BCZSICKNEFKTKV-LJQANCHMSA-N 427.287 5.215 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2c(F)cccc2Cl)cc1C 1862405252 NQRBDSQGPRSSEM-FQEVSTJZSA-N 431.891 5.030 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@@H]2c2ccccc2C)cc1 1862429590 QBHNLVLANCGEEZ-DEOSSOPVSA-N 445.946 5.778 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(Cl)c(Cl)c1 1862442274 DECMBSBALKSDTI-SFHVURJKSA-N 438.738 6.025 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCc2ccccc2)c1 1862445608 ZQJPPOIURGDGEG-HSZRJFAPSA-N 447.918 5.170 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccccc1F 1862501363 BCOBACPQFOYXOB-JPYJTQIMSA-N 441.518 6.210 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccc(C)cc2)c1 1862501417 BSMSJCOGZJNSTJ-XMMPIXPASA-N 445.490 5.230 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)c1 1862501969 OOXZTDDKTRJFAG-MZNJEOGPSA-N 445.490 5.482 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2c(F)cccc2Cl)c1 1862560582 GGSIFAUXNFVMCS-NRFANRHFSA-N 442.918 5.362 30 10 IKEE CN(C)c1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C2CCCC2)cc1 1862616798 SQFOTXZIKLBXAN-XMMPIXPASA-N 446.591 5.571 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(Cl)cc1 1862660581 KGTZDGKNFJRFBS-QFIPXVFZSA-N 441.955 5.468 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 1862660957 SWXGSKDDPDUVBG-DEOSSOPVSA-N 445.946 6.242 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(Cl)cc1Cl 1862668059 POQXKLPYQKOEMX-SZNDQCEHSA-N 446.374 6.494 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(F)cc1F 1862675185 DCASCNXAZCKAPB-YIILKADPSA-N 429.438 5.261 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2ccc(F)cc2F)cc1 1862688945 FGCBFQILZGOZBM-QHCPKHFHSA-N 449.453 5.060 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 1862692089 CPEDKKXGCXRSIR-QHCPKHFHSA-N 435.564 5.617 30 10 IKEE Cc1c(Cl)cccc1NC1=C(c2ccc(F)cc2)C(=O)N(c2cccc(C#N)c2)C1=O 1862768797 GOFZBAWGTMFBMQ-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2Cl)=C(c2c[nH]c3ccccc23)C1=O 1863497493 MXEKRUFNQAKMDA-UHFFFAOYSA-N 449.982 6.374 30 10 IKEE C=CCOc1ccccc1/C=C1\C(=O)N(Cc2ccc(Cl)cc2)N=C1c1ccccc1 1865666800 SQFKZZJJQADPRL-QJOMJCCJSA-N 428.919 5.735 30 10 IKEE C=CCN(CC=C)c1cc(N2CCO[C@H](c3ccccc3)C2)nc(-c2ccc(F)cc2)n1 1869277340 CHKFNEJZHSCZOE-QHCPKHFHSA-N 430.527 5.039 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)CCCOc2ccccc2C(C)C)n(C(C)(C)C)n1 1870000318 MDWKTYPDNZEOAK-UHFFFAOYSA-N 439.604 5.133 30 10 IKEE C=CCn1cc(OCc2cccc(C)c2)c(=O)cc1CSCCc1nc2ccccc2[nH]1 1870169007 PVNJWASXFJPWFU-UHFFFAOYSA-N 445.588 5.274 30 10 IKEE C=CCn1cc(OCCOc2ccc(Cl)cc2)c(=O)cc1CSc1ccc(C)cc1 1870265426 IKVRVXSRNHOOHK-UHFFFAOYSA-N 441.980 5.746 30 10 IKEE C=CCn1cc(OCc2ccccc2)c(=O)cc1CNc1ccc(OCC)c(OCC)c1 1870894575 IHQDYWARICLLQM-UHFFFAOYSA-N 434.536 5.023 30 10 IKEE COc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(CCc1ccccc1)C3 1871344405 HNELMQLPRIWWME-IWIPYMOSSA-N 427.500 5.014 30 10 IKEE CCCCC[C@@H](CC)N1COc2c(cc3c(c2C)O/C(=C\c2ccc(Cl)cc2)C3=O)C1 1871353093 DOCRBPSDOYSZCP-SGMQAHBGSA-N 439.983 6.775 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OC(=O)c3cc(Cl)ccc3Cl)ccc2C1=O 1871381432 UEIQOMKCJAOILG-ZDLGFXPLSA-N 431.296 6.199 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(OC)cc4)coc3c2)cc1 1871389586 DJIAQRDYRWQTGJ-UHFFFAOYSA-N 444.439 5.378 30 10 IKEE O=C1/C(=C/c2ccccc2OC(F)F)Oc2c1ccc(O)c2CN1CCCc2ccccc21 1871395031 CNANJZNLMDOWFV-UCQKPKSFSA-N 449.453 5.563 30 10 IKEE Cc1ccc(OCCOc2ccc3c(c2)O/C(=C\c2c(Cl)cccc2Cl)C3=O)cc1 1871406660 SVJSELCQJFEFIM-UCQKPKSFSA-N 441.310 6.376 30 10 IKEE CCc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871454597 SQHPEIYISVSIPH-AJRXITOCSA-N 425.484 5.439 30 10 IKEE Cc1cc(OCC(=O)Nc2ccccc2)cc2c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O2 1871460373 JOROLBYLTLKTLE-IWIPYMOSSA-N 441.527 5.926 30 10 IKEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1871792028 LHOOXDFNOQOJLU-IBGZPJMESA-N 449.016 5.168 30 10 IKEE C=C(C)CN([C@H](CC)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1ccc(C)cc1 1872221738 RVEGOLCSVPDJJX-HSZRJFAPSA-N 442.625 5.277 30 10 IKEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1872291942 OIZGXGFNBAKRCX-IBGZPJMESA-N 449.016 5.168 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cc(Cl)ccc1C)C(C)C)S(=O)(=O)c1ccc(C)cc1 1872453851 OIAHOHPHAQGVCY-QFIPXVFZSA-N 449.016 5.187 30 10 IKEE C=CCN([C@H](CC(C)C)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1cc(C)ccc1C 1872503532 BBVNLCYHXVXZCV-HSZRJFAPSA-N 442.625 5.150 30 10 IKEE N#C[C@@H](C(=O)CCCOc1ccccc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872759725 XSBYEWGYHFOXSX-DEOSSOPVSA-N 438.552 6.513 30 10 IKEE CCCCCCCCNC(=O)c1ccc(CN2CCC(NC(=O)OC(C)(C)C)CC2)cc1 1872885380 YHUBBHUFNHTYGX-UHFFFAOYSA-N 445.648 5.266 30 10 IKEE CCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C/c1cc2ccccc2n1C 1873501607 FOKNZACZIMRTRI-WPWMEQJKSA-N 445.636 6.194 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)c(Cl)c2)cc2c(NCCCCCC)ncnc21 1873639248 YSELVKQNWNTOHY-UHFFFAOYSA-N 425.964 5.824 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccc(CC)cc1 1874231077 QVZFMSHPHZLRFQ-ZVHZXABRSA-N 426.973 5.542 30 10 IKEE C=CCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(C(C)C)cc1 1874270035 BDFXKSVRQLSTEL-OVVQPSECSA-N 426.589 6.306 30 10 IKEE CCCCC1CCC(c2nnc(SCC)n2/N=C/c2cccc(OCCC)c2)CC1 1874284918 FWIYSOGSDFCRDC-XIEYBQDHSA-N 428.646 6.525 30 10 IKEE CCCSc1nnc(Cc2ccc(OCC)cc2)n1/N=C/c1ccc(Cl)cc1Cl 1874304305 RNJJQIULFYFRBT-ZVHZXABRSA-N 449.407 5.959 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1cn(C)c2ccccc12 1874327228 CXOIQNRBSZSZTQ-LGJNPRDNSA-N 445.592 5.516 30 10 IKEE CCSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874330360 RLLFKFURNXTFMW-ZMOGYAJESA-N 444.988 5.042 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCOc3ccccc3)n2/N=C/c2ccccn2)c1 1874346342 KFVKTEOPUHJSNU-WPWMEQJKSA-N 443.576 5.086 30 10 IKEE Clc1cccc(CSc2nnc(COCc3ccccc3)n2/N=C/c2cccnc2)c1 1874354338 FHPHFDREKLHXHP-VULFUBBASA-N 449.967 5.218 30 10 IKEE Clc1ccccc1/C=N/n1c(COCc2ccccc2)nnc1SCc1ccccc1 1874355218 FVLZCJDIKAGRRU-CVKSISIWSA-N 448.979 5.823 30 10 IKEE Fc1ccccc1CSc1nnc(COCc2ccccc2)n1/N=C/c1cccs1 1874355262 GBQPTUPWUTXMKR-ZMOGYAJESA-N 438.553 5.370 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccccc1F 1874364571 JYMRYLVYIGBBNG-VULFUBBASA-N 436.943 6.221 30 10 IKEE Fc1ccc(CSc2nnc(Cc3ccc(F)cc3)n2/N=C/c2ccccc2F)cc1 1874378426 MVWXHHRGOCFWLP-MZJWZYIUSA-N 438.478 5.461 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2[C@@H](C)c2ccccc2)cc1 1874393986 DEDFMXDJHLAUMN-FQNOVECQSA-N 430.552 6.052 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccccc3)nnc2[C@@H](C)c2ccccc2)cc1 1874395468 NGYASLBBODVZIV-FGAYPWGZSA-N 442.588 6.003 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCCCO)n1/N=C/c1ccc(Cl)cc1Cl 1874401892 YSTFGWIUAQUEDF-JMKVTYIUSA-N 435.380 5.093 30 10 IKEE Cc1ccccc1NC(=O)CSc1nnc(CC(C)(C)C)n1/N=C/c1sccc1C 1874437663 MWRDJCQNZNRMIR-YDZHTSKRSA-N 441.626 5.158 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc(C(=O)O)cc1 1874438546 GLAAEFISPPQYQR-ZMOGYAJESA-N 442.972 5.393 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCCc3ccccc3)nnc2C2CCCC2)c1 1874455785 LAVSOPXRCFIKLU-LGUFXXKBSA-N 434.609 5.942 30 10 IKEE COc1ccc(OC)c(/C=N/n2c(SCc3cc(C)ccc3C)nnc2C(C)(C)C)c1 1874484314 PMBXUDVJTUFQKZ-AFUMVMLFSA-N 438.597 5.384 30 10 IKEE CCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874527976 NLGNFKBWYJREJZ-UFFVCSGVSA-N 436.324 5.230 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)cc1F 1874582391 LUZSVJGSHDYCER-OUKQBFOZSA-N 446.905 7.116 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3cc(C)ccc3C)c2)cc1Cl 1874599770 CNOGKSRLDLTKEZ-PKNBQFBNSA-N 449.934 5.879 30 10 IKEE O=C(/C=C/c1ccc(OCCc2ccccc2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 1874606029 RFCPNPCFCPMSQI-UXBLZVDNSA-N 442.298 6.419 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1OC(=O)c1cccc(Cl)c1 1874693423 FEDABPKBJCTORB-UKTHLTGXSA-N 446.930 6.343 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCCOc3cccc(C)c3)c2)cc1 1874694703 QAERLUIKXFYQRF-SAPNQHFASA-N 428.528 6.218 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cc4ccccc4n3C)c2)cc1C 1874696128 JZUDASBYDALZGH-ACCUITESSA-N 425.484 5.611 30 10 IKEE CC(C)COc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(Cl)cc3)c2)cc1 1874700624 CQSLYHVKCPKRKY-GIDUJCDVSA-N 434.919 6.490 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2ccc(C)cc2)cc1OC(=O)CC(C)C 1874702851 MZTUWKJKEWQMAK-MDZDMXLPSA-N 431.326 5.614 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)[C@@H](C)c3ccccc3)c2)cc1C 1874718399 XLLCDGLOJOJXQW-RPAADVPWSA-N 444.527 5.926 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2cccs2)CSc2nnc(-c3ccccc3)n21 1874934650 JBKJVURLEFCSEQ-LJQANCHMSA-N 440.638 6.069 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc(Cl)c1OC(=O)C(C)C 1875081061 ZTOQZZMDMYLLDY-NTEUORMPSA-N 434.919 6.473 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OC(=O)Cc1ccccc1 1875095956 PMOLVCOJCZTZEW-FOWTUZBSSA-N 436.507 6.283 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2F)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 1875116565 HTSIGUYGVJMBSG-VZUCSPMQSA-N 425.799 5.503 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)cc2F)c([N+](=O)[O-])c1)c1ccc(F)cc1F 1875125142 UAKHMTVINUPJLT-LREOWRDNSA-N 445.324 5.267 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)c1ccccc1OC 1875128906 ASJUCISIXKQCEC-FOCLMDBBSA-N 428.484 5.548 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)Cc1ccccc1F 1875129300 USNADQLRRCSDDR-CCEZHUSRSA-N 430.475 5.607 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2[N+](=O)[O-])cc1 1875148892 YZXYHJNSSBMQTB-VIZOYTHASA-N 443.499 6.316 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccnc3)c(OC)c2)c(OCC)c1 1875179748 YOARVCYRRJRMFR-XYOKQWHBSA-N 447.487 5.003 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)C(F)(F)F)c(Br)c2)c(C)c1 1875183207 PCXWVKORLFCXFN-GQCTYLIASA-N 441.243 5.738 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1ccc(OC)cc1 1875183439 AUVIMHZNMARVPT-NTUHNPAUSA-N 444.527 6.134 30 10 IKEE C=C(c1ccccc1)[C@@H](NCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 1888711517 KAQAYNXHQKYPCH-RUZDIDTESA-N 449.639 5.237 30 10 IKEE Cc1nn(C)c(Br)c1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1891067926 UJGRYYAOOFCJGO-AWEZNQCLSA-N 439.741 5.151 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OC(C)(C)C 1922067504 BSPKRZJZXTXPKZ-MDNUFGMLSA-N 448.648 5.225 30 10 IKEE CCCCCCC[C@@H](N)c1c(Br)sc(Br)c1Br 1924569056 PHMMTLFBACQOKL-MRVPVSSYSA-N 448.062 6.396 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 1944587887 GMWPWGPGOCIRES-QMHKHESXSA-N 433.524 5.154 30 10 IKEE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@H](C#N)c1cc(Cl)cc(Br)c1 2027901952 RZBVULBQUHFYOU-JKSUJKDBSA-N 429.742 5.083 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@]1(C#N)C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2033857244 WALYSWWRBKNGGO-NPIYKFRDSA-N 437.628 6.036 30 10 IKEE Cc1sc(Cl)cc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2036891528 FYSKVPZVAYUYDU-HNNXBMFYSA-N 441.778 6.479 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCC(C)(C)N(C(=O)OC(C)(C)C)C2)c1 2038518992 IUCFTPHOWORERH-VWLOTQADSA-N 443.588 5.808 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@]1(C#N)CN(Cc2ccccc2)C2(CCCC2)C1 2038665644 LOFBJZJUIDSVBP-XMMPIXPASA-N 438.576 5.405 30 10 IKEE COc1ccccc1C=C(C(=O)c1cc(OC)c(OC)c(OC)c1)c1nc2ccccc2o1 2040470188 KMBMKFGUZRMKPM-UHFFFAOYSA-N 445.471 5.286 30 10 IKEE CCC#CC[C@H](NCCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071268401 XHFXIPPCCFTIPL-MHZLTWQESA-N 427.588 6.689 30 10 IKEE ON=Cc1c(C2CCC2)nn([C@@H](c2ccc(C(F)(F)F)cc2)C2CC2)c1Br 2079876579 LINAYADOXGQHAR-QGZVFWFLSA-N 442.279 5.739 30 10 IKEE N#Cc1cnc2c(-c3ccc(C(F)(F)F)c(Br)c3)c(C3CCC3)nn2c1O 2081545084 FEZVZNHRPDMUDI-UHFFFAOYSA-N 437.219 5.022 30 10 IKEE C=CCN(CC[C@@H](Cc1cccc(Cl)c1Br)NCC)C(=O)OC(C)(C)C 2099287180 HKHWJNYIYYWYJH-INIZCTEOSA-N 445.829 5.436 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)C1(C(F)(F)F)CCC1 2122752468 AMZJIXRUCOTMCF-CQSZACIVSA-N 433.268 5.815 30 10 IKEE C=C1CC(C[C@H](NCCC)c2ccc(I)c(Br)c2)C1 2125736552 WDAKRQKCQZVTSN-INIZCTEOSA-N 434.159 5.451 30 10 IKEE C=CCCCCCC[C@H](NN)c1cc(I)ccc1Br 2141921016 YZWHIUIXHFLTOW-HNNXBMFYSA-N 437.163 5.085 30 10 IKEE C=CCC[C@H](C)[C@H](NCCC)[C@@H](O)c1cc(Br)c(Br)s1 2158322725 DWRQZQWPVWYBSQ-BPNCWPANSA-N 425.230 5.277 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)c(F)c1F 2159126277 SYKMVAHWFVFSCH-YJBOKZPZSA-N 445.348 5.075 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCc2ccc(F)cc21 2163700316 WLKKKGUGWSGOCI-NRFANRHFSA-N 431.305 5.695 30 10 IKEE C=CC1(C[C@H](NCCC)c2ccc(NC(=O)OC(C)(C)C)c(Br)c2)CCC1 2168028040 IZDGGUKHZYVSDU-IBGZPJMESA-N 437.422 6.583 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(Nc2ccc(Br)cc2)C(F)(F)CC1 2196981311 YATLMXVJPCVBOL-GOSISDBHSA-N 444.320 5.180 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCC)c2sc(C)c(Br)c2C)C1 2219012142 CSORRVXYEWDADP-MRXNPFEDSA-N 429.424 5.392 30 10 IKEE C=CCCCCCCC[C@H](NC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2235526822 OUFFKRWZVNGQMM-IBGZPJMESA-N 439.438 6.973 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)[C@H](NC(=O)OC(C)(C)C)c1cccs1 2235734833 XZZMWJDFTQJIRW-MJGOQNOKSA-N 449.414 5.106 30 10 IKEE N#Cc1cccc(Br)c1Nc1ccc(Br)cc1Br 2257498895 LQSVKZRNNKDSRO-UHFFFAOYSA-N 430.925 5.589 30 10 IKEE CN(Cc1ccccc1NC(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1)C(=O)OC(C)(C)C 2267459524 DAVAGGBGJYVWPY-UHFFFAOYSA-N 444.381 5.009 30 10 IKEE C=CCCC1([C@H](NC)c2c(F)cc(Br)cc2F)CN(C(=O)OC(C)(C)C)C1 2281043694 YNQUHDLUGXNOFJ-QGZVFWFLSA-N 445.348 5.191 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CN(c2c(Br)cccc2C#N)C2(CCCCC2)C1 2285220071 DXGXCFILUZIMCZ-INIZCTEOSA-N 434.378 5.127 30 10 IKEE CCN1C(=O)C(=C2Sc3ccc(OC)cc3N2CC)SC1=Nc1ccccc1Cl 2297507315 SXFJZODIQFDDGZ-UHFFFAOYSA-N 445.997 5.733 30 10 IKEE COc1ccc(C=C2N=C(SCc3ccc(Cl)cc3)SC2=O)c2ccccc12 2297620087 KASOQDUDWOBRST-UHFFFAOYSA-N 425.962 6.406 30 10 IKEE O=C1C(=Cc2cccn2-c2ccccc2)SC(=Nc2ccccc2)N1C1CCCCC1 2313565257 ZLKMSFINXZCURY-UHFFFAOYSA-N 427.573 6.414 30 10 IKEE O=C1C(=Cc2ccc([N+](=O)[O-])cc2)Oc2cc(OCc3ccc(F)cc3Cl)ccc21 2314437029 ANHSLADAOVUIGE-UHFFFAOYSA-N 425.799 5.583 30 10 IKEE CCCCCCOc1ccccc1C(=O)C=Nn1cnnc1SCc1ccccc1F 2318574740 SCZQWLSRWMATFF-UHFFFAOYSA-N 440.544 5.385 30 10 IKEE COc1cccc(C=NNc2oc(-c3ccccc3)nc2C#N)c1OCc1ccc(F)cc1 2320833938 CNLMYHBEPXNXTR-UHFFFAOYSA-N 442.450 5.386 30 10 IKEE Fc1ccccc1CSc1nnc(C2CC2)n1N=Cc1ccc(Br)cc1 2320851397 VLWFTHIHRINIKW-UHFFFAOYSA-N 431.334 5.232 30 10 IKEE Cc1ccccc1COc1ccc2c(c1C)OC(=Cc1ccc(Br)cc1)C2=O 2321742662 VVWLYBSSCSDMGI-UHFFFAOYSA-N 435.317 6.261 30 10 IKEE Fc1ccc(COc2ccc3ccccc3c2C=Nn2c(S)nnc2C2CCC2)cc1 2321901734 PVDQEOPQAXKISN-UHFFFAOYSA-N 432.524 5.588 30 10 IKEE CCCCCOc1ccc(C=Nn2c(S)nnc2Cc2ccc(C)c(C)c2)cc1OC 2321998502 HWWBZOJAVCNISO-UHFFFAOYSA-N 438.597 5.234 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1ccccc1Cl)c1cccc2ccccc12 2322724645 AONICPSOXZEKBD-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC)c1OCc1cccc(C)c1 2322774924 HZKRNVJSUUCOCH-UHFFFAOYSA-N 444.571 6.785 30 10 IKEE Cc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(Cl)c(Cl)c2)C3=O)c1 2322880728 SEODRVAYHYGUMN-UHFFFAOYSA-N 425.267 6.137 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)c4cccc(Br)c4)ccc3C2=O)c1 2322930364 NQBULBAHLLLUTC-UHFFFAOYSA-N 435.273 5.593 30 10 IKEE Cc1cc(OC(=O)C=Cc2ccc(F)cc2)cc2c1C(=O)C(=Cc1ccccc1Cl)O2 2323044368 VTCARLJYYUFRGN-UHFFFAOYSA-N 434.850 6.023 30 10 IKEE CCCOc1c(OC)ccc(C=CC(=O)c2ccc3ccccc3c2)c1Br 2323047590 DYSBTCDUXKSJGX-UHFFFAOYSA-N 425.322 6.296 30 10 IKEE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)cc1 2323060055 BIWHFGCIYDGEHQ-UHFFFAOYSA-N 427.412 5.138 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)CCc4ccc(Cl)cc4)ccc3C2=O)cc1 2323105961 QFAOHVHHIPDRDB-UHFFFAOYSA-N 432.903 6.057 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OCC(=O)Nc1ccc(F)cc1 2323280102 OTZUIOKCMGJDBM-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE CCCOc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2F)C3=O)cc1 2323458999 NOULKSIIVXRODV-UHFFFAOYSA-N 444.458 5.850 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)cc1C 2323561565 LXHQDTDNDBZMJE-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCCCC1CCC(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(C)c2)C3=O)CC1 2323652727 TWHJVCKCOQQEMP-UHFFFAOYSA-N 432.560 6.822 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1cccs1)C2=O)c1ccc(Cl)c([N+](=O)[O-])c1 2323701024 BVOYTZMZBIGALQ-UHFFFAOYSA-N 427.821 5.145 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OCC(=O)Nc2cccc(C)c2C)c(Cl)c1 2323701724 MLPBOOAVSPAWIS-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OCC(=O)NC1CCCCC1 2323739174 PPWRZXKIROGWAG-UHFFFAOYSA-N 443.490 5.087 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)c(OCCc3ccccc3)c(OC)c2)cc1 2323827305 RVOSLJHCSBXWPE-UHFFFAOYSA-N 436.935 6.265 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)c1 2323832074 IFCQILOFYMCOEI-UHFFFAOYSA-N 442.511 6.434 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)C=Cc1ccc(OCC)cc1 2323840321 NDOONGCWQTUAAF-DEOSSOPVSA-N 428.617 5.346 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1cccnc1)C2=O)c1cccc(OCc2ccccc2)c1 2323842640 FSGVWYRKIAXDMI-UHFFFAOYSA-N 449.462 5.496 30 10 IKEE CCN(CC)C(=O)COc1c(Cl)cc(C=CC(=O)c2cc(C)ccc2C)cc1OC 2323943478 AZOQCWBKEPEDCW-UHFFFAOYSA-N 429.944 5.109 30 10 IKEE Cc1cc(O)c(CN2CCCc3ccccc32)c2c1C(=O)C(=Cc1ccc(Cl)cc1)O2 2324023835 RUEJLKFZYXEVFT-UHFFFAOYSA-N 431.919 5.923 30 10 IKEE CN(Cc1ccccc1)Cc1c(O)ccc2c1OC(=Cc1c(Cl)cccc1Cl)C2=O 2324077350 QJVBEBVKDJTXLE-UHFFFAOYSA-N 440.326 5.947 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2)c(Br)c1)c1ccc2c(c1)OCO2 2324087708 VSGSNVIOVMAKJP-UHFFFAOYSA-N 437.289 5.653 30 10 IKEE Cc1c(OCCCOc2ccc(Cl)cc2)ccc2c1OC(=Cc1ccc(F)cc1)C2=O 2324554967 AOIFZLNKULVYOK-UHFFFAOYSA-N 438.882 6.252 30 10 IKEE CC[C@H](Oc1ccc2c(c1)OC(=Cc1ccccc1)C2=O)C(=O)Nc1cc(Cl)ccc1C 2324837607 DEOIFLMIXMTLMA-QFIPXVFZSA-N 447.918 6.061 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OCC(=O)Nc3ccc(F)c(F)c3)c2C)C1=O 2325528788 ICMPEMUUIYRQMM-UHFFFAOYSA-N 435.426 5.215 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccc(Cl)cc1Cl 2325558959 YNMVDOWSQYZPLX-UHFFFAOYSA-N 433.408 6.329 30 10 IKEE Cc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(Cl)cc3Cl)c2)cc1C 2325709684 RZAAILVVQVASII-UHFFFAOYSA-N 425.311 6.726 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1OC(=O)c1cc(C)cc(C)c1 2325746921 KMFOMKNIHADOTG-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE CCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc(C(C)(C)C)cc1 2328051518 OISWJFLKSZDUDL-UHFFFAOYSA-N 427.017 6.008 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3cccc(F)c3)n2N=Cc2ccccc2)cc1 2328564876 UBTDVIJMZLBMOI-UHFFFAOYSA-N 446.551 5.581 30 10 IKEE Cc1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2F)cc1 2329841394 VQDAUPZMLFFQNT-UHFFFAOYSA-N 434.515 5.630 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(F)c3)n2N=Cc2ccccc2F)cc1 2329966393 FHTXACDIAJFXLN-UHFFFAOYSA-N 434.515 5.630 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2cc(C)ccc2O)cc1 2330004345 RYZLAQLQCHKZRL-UHFFFAOYSA-N 442.588 5.408 30 10 IKEE COc1ccccc1C=Nn1c(SCc2cccc(F)c2)nnc1[C@H](C)c1ccccc1 2330077968 DJVVHDMRUWMZOK-GOSISDBHSA-N 446.551 5.752 30 10 IKEE C=C(C)CSc1nnc(-c2cccs2)n1N=Cc1ccc(OCCC)c(OCC)c1 2330582097 QZTNPBMESKIKKB-UHFFFAOYSA-N 442.610 5.745 30 10 IKEE Cc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4ccccc4c3)cc2[N+](=O)[O-])c1 2330664712 XPUSVCRHMMTGKH-UHFFFAOYSA-N 437.451 6.172 30 10 IKEE Cn1cccc1C=Nn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1 2330692904 SVWCKYNPQHDWCO-UHFFFAOYSA-N 442.375 5.765 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3C)c(Cl)c2)cc1 2330961584 QVZMQQCSJSVCLY-UHFFFAOYSA-N 434.919 6.091 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OC(=O)COc1ccccc1 2331101119 HNNHHWUJDWVQKR-UHFFFAOYSA-N 438.426 5.244 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(Br)cc2)c(Cl)c1)c1ccccc1 2331165994 BLHDGJXRAYGIRW-UHFFFAOYSA-N 441.708 6.218 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3)c(OCC)c2)cc1 2331206812 ODDSKILGCPSWSX-UHFFFAOYSA-N 434.463 5.738 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C(C)(C)C)c1OC 2331404436 DZHHCORLIQNUOD-UHFFFAOYSA-N 444.988 5.421 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c(F)c2)cc1[N+](=O)[O-] 2331459105 MALBRFJXQJAPHE-UHFFFAOYSA-N 429.444 5.514 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1Br 2331497822 FEJVIGQEPMMCTD-UHFFFAOYSA-N 429.354 6.564 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(Br)c1OC(=O)C1CCCC1 2331534257 CEXLKXAKJKHEAB-UHFFFAOYSA-N 447.300 5.589 30 10 IKEE CC(C)C(=O)Oc1ccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1[N+](=O)[O-] 2331595620 RQFYCNZYWFAXFC-UHFFFAOYSA-N 431.444 5.845 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)cc3)cc2)c1 2331673639 JCUHMYJSNPXAFO-UHFFFAOYSA-N 448.490 5.667 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)COc1ccc(C)c(C)c1 2331715253 ZDFNTRRKYVOBOV-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1 2331859738 WLERNIUTOBYGQN-UHFFFAOYSA-N 425.311 6.428 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3F)cc2)c2ccccc12 2331865880 HBBITMKVSGMJCH-UHFFFAOYSA-N 444.433 6.242 30 10 IKEE CN[C@@H](C#CC1(SC)CCC1)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2336233615 CVFOSNJCLZSSIQ-KRWDZBQOSA-N 439.419 5.346 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H](Nc2cc(Br)cc(C#N)c2)[C@H]1C(F)(F)F 2370171537 CPQRXLDURZZFHF-GJZGRUSLSA-N 448.283 5.063 30 10 IKEE CCc1ccc(N/C=C\C(=O)c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 8857315 PGGMBRRMXMNRAX-SEYXRHQNSA-N 426.343 6.943 30 10 IKEE O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@H](c1cc(Cl)ccc1O)Nc1ccccc1N2 20884115 MWXTWWWTFPPAGZ-MQNRADLISA-N 434.898 6.164 30 10 IKEE C/C(=N\Nc1nc(SCCCc2ccccc2)n[nH]1)c1ccc(Br)cc1 21081784 RISHXLDUDSPOLK-HYARGMPZSA-N 430.375 5.128 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccncc2)cc1 21224307 XGAHVNQWMLXCDN-DCFHFQCYSA-N 425.532 5.850 30 10 IKEE C=CCn1c(S[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)nnc1-c1ccc(Cl)cc1 21729279 UBOFLKKDADAZDO-HZPDHXFCSA-N 438.984 5.243 30 10 IKEE C=CCNC(=S)N1N=C2/C(=C\c3ccc(OC)cc3)CCC[C@H]2[C@H]1c1ccc(OC)cc1 33453840 KUDIFHJEAAEZSH-SPUDNRSYSA-N 447.604 5.361 30 10 IKEE COc1cccc(COc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2Cl)C3=O)c1 33514094 XEJRLZCZAHOWKM-NHDPSOOVSA-N 427.283 6.197 30 10 IKEE C=CCNC(=O)c1cc2sc(Br)cc2n1Cc1ccc(C(C)(C)C)cc1 37526831 NNDMFBLEQIBLIA-UHFFFAOYSA-N 431.399 5.727 30 10 IKEE C=C(C)C(=O)NCCCc1nc2ccccc2n1CCCCOc1ccc(C(C)C)cc1 40210193 XTDAGCLCAPKTSI-UHFFFAOYSA-N 433.596 5.644 30 10 IKEE C=CCc1ccccc1OCCn1c([C@@H](C)Oc2ccc(Cl)cc2)nc2ccccc21 40236678 JHUJFBZPZFCROP-LJQANCHMSA-N 432.951 6.637 30 10 IKEE COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OCc3cccc(F)c3)ccc2C1=O 41509921 WJXFZGBMFRYQED-MYKKPKGFSA-N 436.435 5.047 30 10 IKEE Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 46880011 PXUBKQWJZICUAL-WEVVVXLNSA-N 434.839 5.268 30 10 IKEE O=C(Nc1ccccc1)c1c(/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)sc2c1CCCC2 59198971 AWJNWRHEBOKXRG-WYMPLXKRSA-N 449.488 5.267 30 10 IKEE O=[N+]([O-])c1ccc(/C=N/c2ccc(Oc3ccc(/N=C/c4ccc([N+](=O)[O-])o4)cc3)cc2)o1 59514107 KLILIUONKDTNKI-RNIAWFEPSA-N 446.375 5.983 30 10 IKEE CCCCCCCCCCCCCCCCCCNC(=O)NC[C@H]1CCS(=O)(=O)C1 59568223 YQDWGULYKWQCRX-HSZRJFAPSA-N 444.726 5.982 30 10 IKEE COc1ccc(Cl)cc1Nc1nc(SC)nc(-c2ccc(OC)c(OC)c2)c1C#N 62039799 CIJJDJBHPABRSN-UHFFFAOYSA-N 442.928 5.160 30 10 IKEE CCN(CC)c1ccc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3s2)c(O)c1 96839133 JGPJIQMERUPFDL-LTGZKZEYSA-N 428.557 6.272 30 10 IKEE CCCCCCCNC(=O)CNc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 100113090 VHGRGDAHBVUBLC-UHFFFAOYSA-N 435.490 5.456 30 10 IKEE CCCCCCCCCCCCCC(=O)Nc1ccc(OCCOc2ccccc2)cc1 100442120 LOTPXONDLVYHHL-UHFFFAOYSA-N 439.640 7.784 30 10 IKEE CCN1/C(=C2\S/C(=N/C3CCCCC3)N(C3CCCCC3)C2=O)Sc2ccccc21 102149330 FHDQEWZBUVEURS-PSBCSISTSA-N 441.666 6.385 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@H](c2cccc(OCc3ccc(C)cc3)c2)NC(=S)N1 169937850 XDBZISRBXAGZDH-DEOSSOPVSA-N 428.557 5.250 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccc2OC)cc1 169946093 AUFYPFRDOCQTGN-XMMPIXPASA-N 427.500 5.349 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccc(OC(C)C)c2)cc1 169979712 VAUKCVJQSQAXFR-DEOSSOPVSA-N 427.500 5.565 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1cccs1 169989669 CDJIFAXUGLEQMG-QHCPKHFHSA-N 435.520 5.027 30 10 IKEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(Cl)cc1 170060087 IAMHCBZFCXZOFK-QHCPKHFHSA-N 448.950 5.023 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1C1CCCC1 170125992 VFCLVOOMGJYHPE-XMMPIXPASA-N 431.532 5.095 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccc(C)c2)cc1Cl 170142046 GWDDGOGMLVFBCP-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2cccs2)c1 170157597 BXMYLYDTPRTBQR-QFIPXVFZSA-N 449.528 5.328 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccs1 170161519 HZQRGQVKVZGKDE-IBGZPJMESA-N 444.339 6.146 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccccc2)c1 170222981 LKAAUWJVAHJOKZ-JOCHJYFZSA-N 435.426 5.146 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2C)cc1 170269919 ISMZMGAWVPCPDR-QHCPKHFHSA-N 447.556 5.624 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccco1 170283998 JZDCFRLTLOASQZ-IBGZPJMESA-N 428.271 5.678 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccco2)cc1C 170285729 GGSJBOUMSGWTFG-HSZRJFAPSA-N 431.488 5.386 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccco2)cc1Cl 170289364 DNTLICBRUNDTJL-NRFANRHFSA-N 437.879 5.341 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccco2)c1 170296418 NPHLKTRDIOFAMJ-XMMPIXPASA-N 439.467 5.220 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccc(C)o2)cc1 170302118 XQHSVTSRLUDTOI-HSZRJFAPSA-N 431.488 5.386 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2sccc2C)c1 170314182 HJLXUYRCOSTPRU-OAQYLSRUSA-N 449.528 5.165 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1sccc1C 170317452 WVMRRWSIFKIXGE-FQEVSTJZSA-N 439.577 5.593 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2OC)c1 170332902 CZQIFIMDJFLKRU-DEOSSOPVSA-N 443.499 5.267 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2cccc(Cl)c2)c1 170365530 SXNYJLMGPQCLDJ-HSZRJFAPSA-N 447.918 5.830 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2ccc(Cl)cc2)cc1Cl 170375857 VCCOVDIHUHHPAC-HXUWFJFHSA-N 439.298 5.480 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1cccc(OC(C)C)c1 170475808 DNACADUAQVUPHB-XMMPIXPASA-N 439.527 5.166 30 10 IKEE C=CCc1ccccc1OCCCCn1c(CCCNC(=O)/C=C/C)nc2ccccc21 205731796 POKADGYEISXHBV-YIXHJXPBSA-N 431.580 5.249 30 10 IKEE CSc1nc(-c2cccc(Cl)c2)c(C#N)c(N2CCC(Cc3ccccc3)CC2)n1 242862211 GFZOREIBRXRZJR-UHFFFAOYSA-N 434.996 5.850 30 10 IKEE COc1ccc(N=C2S/C(=C\c3ccc(N(C)C)cc3)C(=O)N2c2ccccc2)cc1 252610859 IEXXONXICYJMNB-CMEWOCMCSA-N 429.545 5.570 30 10 IKEE COc1cccc(C=Nc2ccc(-c3ccc(N=Cc4cccc(OC)c4)c(C)c3)cc2C)c1 252628837 SZEIUSDFULKYCP-UHFFFAOYSA-N 448.566 7.489 30 10 IKEE N#CC1(COc2c(Br)cc(Br)cc2Br)CCCC1 405105378 GLVAXABEEDLUNE-UHFFFAOYSA-N 437.957 5.437 30 10 IKEE CCCCCCCC[C@@H](NC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 406722175 WNMJJJRKKRWJDG-LJQANCHMSA-N 427.427 6.807 30 10 IKEE Cc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(OCC(C)C)cc2)cc1 526608094 DWROJWGMWIUYQQ-AREMUKBSSA-N 438.527 5.959 30 10 IKEE O=[N+]([O-])c1ccccc1/C=N\n1c(CCc2ccccc2)nnc1SCc1ccccc1 526799522 GGVNIVCYXVNRHA-UQQQWYQISA-N 443.532 5.146 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccc(OCC)cc1 526818008 MBZANPNNGXVHTB-QFEZKATASA-N 446.979 5.986 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(NC(=O)N[C@H]3CCCC[C@H]3C)CC2)c1 586102978 ZHGHHUWWEODCMD-XXBNENTESA-N 440.632 5.007 30 10 IKEE C=C(C)CN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(C)c(C)cc1OC 586161672 IEGRBNALAMIAEI-UHFFFAOYSA-N 427.488 5.098 30 10 IKEE CN(C)c1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)cc1 698481166 DEHKZWVKYQQOFO-LJQANCHMSA-N 430.346 5.521 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]([C@](C)(C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 710703494 SXSOSUXTNNIJPF-MWTRTKDXSA-N 433.524 5.106 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(/C=C/C(=O)Cc2ccc(Br)c(F)c2)cc1 721947988 WFEBMCHBIQQOHE-UXBLZVDNSA-N 434.305 5.760 30 10 IKEE Cc1ccccc1-c1nn(-c2ccccc2)cc1/C=C1\S/C(=N/C2CCCCC2)NC1=O 828296202 YVBJMFAOWMXOJX-KQWNVCNZSA-N 442.588 5.740 30 10 IKEE COc1ccc(C(=O)ON=C2C[C@@]3(C(=O)Nc4cc(C)cc(C)c4)CC[C@@]2(C)C3(C)C)cc1 1772722518 HZTBUEFGTATEMW-KAYWLYCHSA-N 448.563 5.680 30 10 IKEE C/C(=C1\SC(=Nc2cccc(C)n2)N(c2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1 1772735546 HWLMVDDQFSNUCF-LIKMOULWSA-N 430.489 5.497 30 10 IKEE CC(C)c1ccc(/C=C2\SC(=Nc3cccnc3Cl)N(C3CCCCC3)C2=O)cc1 1772736170 XHIGFHZVFXEPIV-QGNOBFDASA-N 440.012 6.795 30 10 IKEE CC(=C/c1ccccc1)/C=C1\SC(=Nc2ccncc2Cl)N(c2ccccc2)C1=O 1772738760 WADYOKAFGZDSQU-HCJXKAKRSA-N 431.948 6.490 30 10 IKEE Cc1ccccc1N=C1S[C@H](CC(=O)c2ccc(F)cc2)C(=O)N1c1ccccc1C 1772760127 SBARGWRCLBLHTH-HSZRJFAPSA-N 432.520 5.852 30 10 IKEE CCCCCCCOc1cccnc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 1858740861 CGURXJABBXGSTE-OAHLLOKOSA-N 425.356 6.144 30 10 IKEE Cc1c(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(=O)oc2ccc(F)cc12 1859710938 ADQPTRQOBYSFNA-UHFFFAOYSA-N 433.279 5.530 30 10 IKEE CCCCCCCCNC(=O)[C@@H](NC(=O)c1ccc2nc(CC)[nH]c2c1)c1ccccc1 1860960013 CFYSTNYUPDEMDR-DEOSSOPVSA-N 434.584 5.073 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)c1ccc(Cl)cc1 1861053680 NUKPJGCXLOYFPD-HXUWFJFHSA-N 427.054 5.448 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)c1ccc(OCCC)cc1 1861369757 BFWCTEZLPDKXTO-DEOSSOPVSA-N 432.649 6.021 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)c1cccc(Oc2ccccc2)c1)c1ccccc1 1862253804 FUZNHDYWJFGLBE-VWLOTQADSA-N 426.516 5.151 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2cccc3ccccc23)cc1 1862396128 DVRQYDLTJSRFGG-RUZDIDTESA-N 427.544 6.171 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccccc2F)cc1C 1862401517 CQFGGFNPTYTSDS-QHCPKHFHSA-N 437.511 5.444 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccccc1 1862429710 SWTPEGYYUFDQIX-AVRDEDQJSA-N 425.956 6.277 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@H]2c2cccc(O)c2)cc1 1862430384 JHYKMGXVCAYVGR-HSZRJFAPSA-N 447.918 5.175 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccccc2)c1 1862441717 MIKTUOXSUGAKFT-HSZRJFAPSA-N 431.919 5.735 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1cccc(Cl)c1)c1cccc(Cl)c1 1862445720 BXAZCONPTOQRIG-NRFANRHFSA-N 444.358 6.295 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCOc2ccccc2)cc1 1862486944 OLGDUQBIYCLURP-RUZDIDTESA-N 441.527 5.269 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)c1 1862488886 KIFKSMMSRYCIRU-HSZRJFAPSA-N 449.909 5.874 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cccc2ccccc12 1862505659 QWWIFUBMPYILJP-DEOSSOPVSA-N 431.507 6.056 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 1862521314 FHJWJIGNTZFWLJ-IBGZPJMESA-N 433.426 5.092 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc(CC)cc2)cc1 1862530648 VFYNEGQYBPUYSL-DVKBMCPXSA-N 431.576 5.968 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccc(F)cc2F)cc1 1862535379 YQEOQYYDVAXAFH-VOIUYBSRSA-N 447.481 5.867 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(OC)c(OC)c1 1862539494 SVXTYIWJHLUFIO-HSZRJFAPSA-N 437.536 5.035 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2Cc2ccccc2)cc1 1862543790 OWSRESLKMHUUAV-AREMUKBSSA-N 437.539 5.652 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(Cl)cc1Cl 1862553464 LCBOLTFVUPXLEG-NRFANRHFSA-N 444.358 5.861 30 10 IKEE CCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccccc1 1862555294 UFXYGYNOPOLUBB-DEOSSOPVSA-N 434.580 5.988 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@H]1c1ccccc1)c1ccc2c(c1)OCO2 1862620863 CFVQCMLURKNXSC-QHCPKHFHSA-N 433.504 5.107 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2ccc(C)cc2)cc1F 1862636406 GSLLZZTUCYWIAK-DEOSSOPVSA-N 445.490 5.230 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@@H]1c1ccccc1)c1cccc2ccccc12 1862648647 HGAPHMFYKNOIFR-XMMPIXPASA-N 439.536 5.722 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1ccc(F)cc1F)c1ccc(-c2ccccc2)cc1 1862725858 TUTIEUNQUQUOEG-HSZRJFAPSA-N 431.438 5.373 30 10 IKEE Cc1cc(C2=C(Nc3cc(Cl)ccc3C)C(=O)N(c3cccc(C#N)c3)C2=O)ccc1F 1863094889 GJQDZDKBGPEDNA-UHFFFAOYSA-N 445.881 5.364 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3c[nH]c4ccccc34)C2=O)c(C)c1 1863129147 YRUUGOYZVATPHV-UHFFFAOYSA-N 432.483 5.053 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(CCC3=CCCCC3)C2=O)cc1C 1863253421 ISDGAPHZYRKGFF-UHFFFAOYSA-N 425.532 5.258 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2Cl)=C(c2ccccc2F)C1=O 1863300602 LLFXEDVWVUDPIO-UHFFFAOYSA-N 428.935 6.032 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(F)ccc2F)=C(c2ccccc2Cl)C1=O 1863446866 CTGMHEMJENBHDM-UHFFFAOYSA-N 446.925 6.171 30 10 IKEE CCc1ccc(CCC(=O)Nc2c(C#N)nnn2-c2ccc(Nc3ccccc3)cc2)cc1 1870150722 QUJATZGUVHCUOS-UHFFFAOYSA-N 436.519 5.016 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc3ccccc23)cn1CCCOCC 1870485635 KCUFGHKLRVSJEB-UHFFFAOYSA-N 446.591 5.181 30 10 IKEE C=CCOc1cn(C[C@H]2CCCO2)c(CNc2ccc(OCCCCCC)cc2)cc1=O 1870810414 BKFDJNSABMVCID-XMMPIXPASA-N 440.584 5.163 30 10 IKEE CCCCCCCCn1cc(OCCCC)c(=O)cc1CNc1ccc(OCC)cc1 1871110962 LWHHHGZEYBTSJN-UHFFFAOYSA-N 428.617 6.399 30 10 IKEE C=CCn1cc(OCCCCOc2ccc(C)cc2)c(=O)cc1CNc1ccccc1C 1871226493 UTFDPIWGKFPXFX-UHFFFAOYSA-N 432.564 5.501 30 10 IKEE CCCCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1c(F)cccc1Cl)C3=O 1871352210 UQPSNZUWIPQWAL-MTJSOVHGSA-N 429.919 6.136 30 10 IKEE Cc1c2c(cc3c1O/C(=C\C=C\c1ccccc1)C3=O)CN(CCC1=CCCCC1)CO2 1871354873 FSFNOIIHZVVLJA-DJNRAMKDSA-N 427.544 6.210 30 10 IKEE CC(=O)Nc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)c1 1871365373 UWIWNAXPVUVBMH-FMCGGJTJSA-N 427.456 5.097 30 10 IKEE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2sccc2C)C3=O)cc1OC 1871366593 HNRGUBGSTXBZSZ-GUWYOKDBSA-N 448.496 5.309 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OC(=O)CCCOc3ccccc3)cc(C)c2C1=O 1871371206 KKPJBWQXURGDGA-JLPGSUDCSA-N 444.483 5.384 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OC(=O)Cc4ccccc4[N+](=O)[O-])c3C)C2=O)cc1 1871376788 YEFUFRGJHVAWPD-UCQKPKSFSA-N 443.455 5.230 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871388008 SZUYSUNIXBVYEN-BDUSHXLBSA-N 440.495 6.175 30 10 IKEE CCCCN(CCCC)Cc1c(O)cc(C)c2c1O/C(=C\c1ccccc1Cl)C2=O 1871393307 CCEIAWLAMMOPKI-JCMHNJIXSA-N 427.972 6.372 30 10 IKEE O=C1/C(=C/c2ccco2)Oc2c1ccc(O)c2CN(Cc1ccccc1)Cc1ccccc1 1871396331 ADCPWCOAZDUTOZ-QQXSKIMKSA-N 437.495 5.804 30 10 IKEE Cc1cc(O[C@H](C)C(=O)Nc2ccccc2Cl)cc2c1C(=O)/C(=C/c1ccccc1)O2 1871405058 MVDMPULCUWHXCL-NXUSMQHESA-N 433.891 5.671 30 10 IKEE CC(=O)c1cccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2sccc2C)C3=O)c1 1871438810 SPBCPJFTCPVBFI-MTJSOVHGSA-N 447.512 5.201 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 1871453635 JLCRZQNDKBRNGV-MYYYXRDXSA-N 441.527 5.926 30 10 IKEE C=CCN=c1nc(Nc2ccc(OCCCC)cc2)[nH]c(N(CCCC)CCCC)n1 1871612706 DXBPJLVRGHMDOF-UHFFFAOYSA-N 426.609 5.221 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1872088963 BVMZXYGQKNGSEF-XMMPIXPASA-N 442.625 5.240 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 1872233156 MWDVIWIHSYVENI-OAQYLSRUSA-N 434.989 5.023 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1872252725 VRNPMASYSAXJOZ-QHCPKHFHSA-N 442.625 5.294 30 10 IKEE CCOc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2ccc(OC)c(Cl)c2)cs1 1872786006 YTCWFHZPCNTGDY-HNNXBMFYSA-N 442.924 5.126 30 10 IKEE CCCCCCCCCCNC1=C(c2cccc(Br)c2)C(=O)N(C2CC2)C1=O 1873053739 LWZISYXKSDKIRF-UHFFFAOYSA-N 447.417 5.422 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(OCCCC)cc2)=C(c2ccc(-n3cccc3)cc2)C1=O 1873203385 NDNFLSKWDDSCLW-UHFFFAOYSA-N 441.531 5.034 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C(F)(F)F)[nH]1 1873503322 HWDSRQQWPDBDSC-QPJQQBGISA-N 434.274 5.415 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2/N=C/c2ccc(OC)cc2OC)CC1 1874287794 XPEYQRHOZARGAH-KOEQRZSOSA-N 444.645 6.144 30 10 IKEE CCCOc1ccccc1/C=N/n1c(CCc2ccc(OC)cc2)nnc1SCCC 1874307844 SFCGLOGDMPKWQP-XIEYBQDHSA-N 438.597 5.245 30 10 IKEE CCCCOc1ccc(/C=N/n2c(COc3ccc(C)cc3C)nnc2SCC)cc1 1874327084 VPCKIGPJSOBRFS-PCLIKHOPSA-N 438.597 5.647 30 10 IKEE Cc1ccsc1/C=N/n1c(CCc2cccs2)nnc1SCc1cccc(F)c1 1874370256 PQRZDNWNFMQLJZ-YDZHTSKRSA-N 442.610 5.808 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SC)nnc2[C@H](C)c2ccccc2)cc1OC 1874391368 DYUMGNPXYIWJOV-UPMNJHNBSA-N 438.597 5.612 30 10 IKEE C=C(C)CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874395333 KAHWTVYCESPGSR-PASSITCSSA-N 430.499 5.999 30 10 IKEE C=CCSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1c(OC)ccc2ccccc12 1874400282 NAZBFYQTUKTQDS-WNIQNGNASA-N 428.561 5.752 30 10 IKEE CCCSc1nnc(CC2CCCCC2)n1/N=C/c1cc(Br)ccc1F 1874409252 MOGKPCRNCVZLKF-LPYMAVHISA-N 439.398 5.687 30 10 IKEE Fc1cccc(/C=N/n2c(Cc3cccs3)nnc2SCc2cccc(Cl)c2)c1 1874414226 HSDMTDYYQZWNKN-ZMOGYAJESA-N 442.972 5.897 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccccc2)n1/N=C/c1cccc2ccccc12 1874416136 AHBVNWMAPWQVSL-VUTHCHCSSA-N 448.595 6.505 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2ccc(F)cc2)nnc1C(F)(F)F 1874459178 ACDMTJYVGISJBT-BRJLIKDPSA-N 438.450 5.399 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1/N=C/c1cccc(Br)c1 1874475946 AJPFEVNVJICPNZ-YDZHTSKRSA-N 447.377 5.697 30 10 IKEE CCCCc1nnc(SCC)n1/N=C/c1cccc(OC)c1OCc1cccc(C)c1 1874477230 QGOZYJJKJHTGMU-PCLIKHOPSA-N 438.597 5.511 30 10 IKEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2C(C)(C)C)cc1 1874483500 ZAERSDDCLMBXOA-AFUMVMLFSA-N 435.597 5.114 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874485218 JYGBUUFCJGUJFW-SSDVNMTOSA-N 445.932 5.017 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(C3CCC3)n2/N=C/c2cccc(Cl)c2)o1 1874493171 YRIKCQXXBLQEFV-FSJBWODESA-N 444.944 5.143 30 10 IKEE C=C(C)CSc1nnc(CC)n1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1874526764 FYSUOYRHJHLFAH-JVWAILMASA-N 442.588 6.123 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCc2nc(O)c3ccccc3n2)cc1C 1874574003 PUYGPJSYHCMPFH-ACCUITESSA-N 426.472 5.128 30 10 IKEE CC(C)COC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(C(C)(C)C)cc1 1874581702 BHQPCEZPQUGLGE-FOCLMDBBSA-N 444.571 6.611 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccccc1/C=C/C(=O)c1cccc2ccccc12 1874582607 WTGHZJYEYMRZBV-ISLYRVAYSA-N 435.523 6.370 30 10 IKEE COC(=O)COc1ccc(Br)cc1/C=C/C(=O)c1c(C)c(C)cc(C)c1C 1874587166 YOLFONNUMGUTEQ-SOFGYWHQSA-N 431.326 5.131 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3ccc(C)cc3C)c2)c1 1874594022 NUSQKXBFWBUCJL-FMIVXFBMSA-N 445.515 5.234 30 10 IKEE CCCOc1c(OC)ccc(/C=C/C(=O)c2cc(OC)ccc2OC)c1Br 1874596909 JKLSFMRDLSMZFT-RMKNXTFCSA-N 435.314 5.160 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1Cl)NCc1ccccc1 1874611991 VQONCTKLNGZTHH-UXBLZVDNSA-N 441.861 5.210 30 10 IKEE CCOc1c(Br)cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)cc1OC 1874635924 AAUKRGWIZPELIK-FNORWQNLSA-N 425.706 5.415 30 10 IKEE COc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)c2)cc1 1874693813 XNKPXOXZQXZPHJ-CXUHLZMHSA-N 442.511 5.455 30 10 IKEE CCOc1cccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(Cl)cc3Cl)c2)c1 1874695473 DGWORLHRLJGEIV-FMIVXFBMSA-N 441.310 6.507 30 10 IKEE CCCOc1ccc(CC(=O)Oc2cc(/C=C/C(=O)c3ccc(F)cc3)ccc2OC)cc1 1874709386 DCTZQCUMJBHOFK-MKMNVTDBSA-N 448.490 5.667 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(F)c(F)c3)c2)cc1OC 1874709909 PBHQLGHMOQKKNM-UXBLZVDNSA-N 438.426 5.026 30 10 IKEE COc1cc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccco3)c2)c(OC)cc1Cl 1874711439 AEDGZIYFOZPUET-SOFGYWHQSA-N 442.851 5.074 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc([N+](=O)[O-])c1OC(=O)C1CC1 1875095381 MWULBXJJAYLZOT-KPKJPENVSA-N 431.444 5.358 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)CC3CCCCC3)c(OC)c2)c1 1875100746 AYNXJZPKPIWDLO-VAWYXSNFSA-N 442.939 6.129 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(OC)c1OC(=O)CC1CCCCC1 1875102802 FRKDWZCSVLMMON-SAPNQHFASA-N 446.587 6.758 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3ccccc3C)c(OC)c2)cc1C 1875107173 DOJWYEVRMDKAQZ-ZRDIBKRKSA-N 446.499 5.445 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OC(=O)CCOc1ccccc1 1875110661 VULNAYSUDIZORL-ACCUITESSA-N 436.891 5.619 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1Cl 1875115455 DYMRPHLKLVRDLC-ZRDIBKRKSA-N 449.772 6.874 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2OC)cc(OC)c1OC(=O)c1cccs1 1875119766 LOZJHAHLELHWEQ-OUKQBFOZSA-N 434.513 5.609 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(C(C)(C)C)cc2)cc1 1875143938 YDTFGSYDULJXSW-CXUHLZMHSA-N 428.528 6.416 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2Cl)cc1 1875158347 QRXNPCFZYQQWIT-YIXHJXPBSA-N 438.882 5.922 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccc(F)c(F)c1 1875161676 BQOBLZRMPPPYTK-XCVCLJGOSA-N 443.789 5.642 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)Cc1ccc(F)cc1 1875171338 RFOLMSJRFQMISK-YRNVUSSQSA-N 448.490 5.504 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)Cc1ccccc1 1875191217 XBLHUWCZHDDJTE-YRNVUSSQSA-N 441.310 6.046 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2c(F)cccc2Cl)cc1)c1cc(Cl)ccc1Cl 1875191666 XXLUUMCHWZXVDF-IZZDOVSWSA-N 449.692 6.901 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)c1c(Br)cccc1Br 1937843138 NNGFWVCDROZBIS-UKRRQHHQSA-N 449.183 5.105 30 10 IKEE CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1 1945821403 JPTFFHWQMGGFFQ-AZUAARDMSA-N 431.577 5.507 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)CC1(C)C 1949559934 FFLINKXHBSCRHL-QHCPKHFHSA-N 433.524 5.249 30 10 IKEE C#CCCN(CC(C)C)C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1984724810 WFWSHPHOKHCKCL-AREMUKBSSA-N 446.591 5.058 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1C[C@@](C)(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 2001938720 LNCOZWIEVUAQDV-YWZLYKJASA-N 449.514 5.248 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCC12CN(C(=O)OC(C)(C)C)C2 2009509726 NLXSFTWGPCZEPD-XMMPIXPASA-N 427.545 5.030 30 10 IKEE N#Cc1c(C(F)(F)F)nn([C@H](c2ccc(C(F)(F)F)cc2)C2CC2)c1Br 2079908607 WDEAEQZMAXCXRP-LBPRGKRZSA-N 438.169 5.554 30 10 IKEE CC(=O)Oc1ccc([C@@H](n2nc(C3CCC3)c(C#N)c2Br)C(C)(C)C)cc1 2080073730 WRVIKSRUYQFRFP-LJQANCHMSA-N 430.346 5.346 30 10 IKEE C=CCC[C@@H](C)[C@H](NCCC)c1cc(Br)ccc1I 2102099802 GPXRLTVHTZMKOD-WBMJQRKESA-N 436.175 5.697 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)C2(C#N)[C@H]3CCC[C@H]2CN(Cc2ccccc2)C3)c1 2111460442 ABMSWEONVLQONM-ZEQRLZLVSA-N 445.607 5.931 30 10 IKEE CC1(C)CC[C@@H](CNc2ccc(C#N)c(Br)c2F)N(C(=O)OC(C)(C)C)C1 2162383297 KXPSDGQNUAHDCW-AWEZNQCLSA-N 440.357 5.297 30 10 IKEE CCCCCC#CC[C@@H](NCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2203819130 KPCNJOLGFITJQH-HXUWFJFHSA-N 437.422 6.421 30 10 IKEE C#C[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC 2210709502 GYMYNODNZARHNR-CUVVAGTFSA-N 446.591 5.104 30 10 IKEE CCCC#C[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCCC 2218387407 CLSNGDMVWUUQMY-DEOSSOPVSA-N 441.660 5.108 30 10 IKEE CCCCCCCC[C@@H](C)Nc1cc(I)ccc1Br 2231925665 YJUKHKOKMLXRJW-CYBMUJFWSA-N 438.191 6.605 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Cl)cc(Cl)c1Cl 2235580619 FWWZVNGRRIPYHW-AEFFLSMTSA-N 433.807 5.994 30 10 IKEE C#CCCC[C@H](NCCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237414382 XAPBJFMIKDSGKY-VQTJNVASSA-N 437.422 5.057 30 10 IKEE CC(C)(C)CN(Cc1ccccc1)c1ccnc2ccc(B3OC(C)(C)C(C)(C)O3)cc12 2269886479 CEGWJAAXLRSGFL-UHFFFAOYSA-N 430.401 5.587 30 10 IKEE CCN1C(=O)C(=Cc2ccc(-c3cccc(C(=O)O)c3)o2)SC1=Nc1ccc(C)c(C)c1 2293250211 OVQFSPIYGSAIGZ-UHFFFAOYSA-N 446.528 5.886 30 10 IKEE CC1(C)OB(c2ccccc2COCc2cc(Br)ccc2Cl)OC1(C)C 2295158298 IENXPYPWGUHXQG-UHFFFAOYSA-N 437.570 5.119 30 10 IKEE CN[C@H](C#Cc1ccc(Br)cc1)c1ccc(NC(=O)OC(C)(C)C)c(Cl)c1 2296307376 TTYRMHVZIAOAMB-GOSISDBHSA-N 449.776 5.762 30 10 IKEE O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1cccc(Cl)c1 2314477804 NAULTLAEKGRIJC-DEOSSOPVSA-N 429.903 5.518 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(N(C)C)cc2)SC1=Nc1nc(-c2ccccc2)cs1 2314543580 HUPGDYUIOTURMO-UHFFFAOYSA-N 446.601 5.666 30 10 IKEE CCN1C(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=Nc1nc(C)cs1 2314544104 TWKPXYNQKYZCFX-UHFFFAOYSA-N 440.506 5.244 30 10 IKEE Cc1ccccc1C=NN=C1SC(=Cc2ccc(N(C)C)cc2)C(=O)N1Cc1ccco1 2314818822 MKTRHMGNFZSGSC-UHFFFAOYSA-N 444.560 5.161 30 10 IKEE C=CCSc1nnc(C2CC2)n1N=Cc1c(OCc2ccccc2)ccc2ccccc12 2320867692 APPRBFSRXKDDBY-UHFFFAOYSA-N 440.572 6.048 30 10 IKEE CCOC(=O)[C@@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2321841178 PNAMZDZRKZHGQD-GOSISDBHSA-N 428.484 5.609 30 10 IKEE C=CCN(Cc1ccccc1)[C@]1(C(=O)O)CCC[C@@H]1[C@H]1CCCCN1C(=O)OC(C)(C)C 2321992872 VFEGOJJWTLYJIZ-XLGIIRLISA-N 442.600 5.088 30 10 IKEE C[C@H](c1ccccc1)N1COc2ccc3c(c2C1)OC(=Cc1cccc([N+](=O)[O-])c1)C3=O 2322092424 BYJBMKLMBRNGNM-MRXNPFEDSA-N 428.444 5.124 30 10 IKEE COc1ccc([C@H](C)N2COc3cc(C)c4c(c3C2)OC(=Cc2ccco2)C4=O)cc1OC 2322260465 FCZMYIKKJJPACV-INIZCTEOSA-N 447.487 5.135 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Cl)ccc2OCc2c(F)cccc2Cl)c1 2322371934 ANUNYSXWXQAXIP-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE O=C(C=Cc1ccccc1OCc1cccc(Cl)c1)c1ccc(Br)cc1 2322416534 UIKPAGXXQFXPKJ-UHFFFAOYSA-N 427.725 6.578 30 10 IKEE COC(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccc(Br)cc1 2322417412 OUTWJJCMVFCPIW-UHFFFAOYSA-N 425.278 5.050 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)c1OCc1ccccc1 2322583064 DBMZEQZPXMDAGI-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE O=C(C=Cc1ccccc1OCc1ccc(Cl)cc1)c1ccc(Oc2ccccc2)cc1 2322806921 ODCWAUZFDXGURJ-UHFFFAOYSA-N 440.926 7.607 30 10 IKEE COc1cccc(C=CC(=O)c2c(C)cc(C)cc2C)c1OCC(=O)NC1CCCCC1 2322952710 MXFRIZJMKAKYKF-UHFFFAOYSA-N 435.564 5.344 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCc2cccc(Cl)c2)c(OC)c1OC 2323028743 NRIWDKAFQXKCGB-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE Cc1c(OC(=O)CCc2ccc(Cl)cc2)ccc2c1OC(=Cc1ccccc1F)C2=O 2323106140 WBQWMLFMVVFWCB-UHFFFAOYSA-N 436.866 5.942 30 10 IKEE COc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)ccc1OCc1ccc(F)cc1 2323358460 PBTYZZANRKRISO-UHFFFAOYSA-N 438.498 6.976 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OCC(=O)Nc1nccs1 2323413153 YDQQXAWDOQXYBJ-UHFFFAOYSA-N 444.512 5.219 30 10 IKEE CCOC(=O)Cc1csc(NN=Cc2cc(Cl)c(OCC(C)C)c(Cl)c2)n1 2323865555 RWDJDUKTHXTTSJ-UHFFFAOYSA-N 430.357 5.036 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OCc3cccc(F)c3)c(Br)c2)c1 2323943959 HBJUQLMELAVGJD-UHFFFAOYSA-N 439.324 6.680 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1C(C)C 2324261860 LLAIMZUTUVLBFM-UHFFFAOYSA-N 445.515 6.510 30 10 IKEE CC(C)c1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 2324610004 TWSFFUTVDHLFNU-HSZRJFAPSA-N 428.601 7.121 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3cc(Cl)ccc3Cl)cc2)cc1 2324651746 JHQGMJKSBJIAAY-UHFFFAOYSA-N 440.326 6.215 30 10 IKEE C[C@@H](NC(=O)COc1ccc2c(c1)OC(=Cc1cccc(Cl)c1)C2=O)c1ccccc1 2325019527 WWMYXYWIEPXBGL-MRXNPFEDSA-N 433.891 5.212 30 10 IKEE Cc1ccsc1C=C1Oc2cc(O[C@@H](C)C(=O)Nc3c(C)cccc3C)ccc2C1=O 2325141851 BLGRANGFQROCJP-KRWDZBQOSA-N 433.529 5.696 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3cc(C)ccc3C)c2)cc1C 2325713146 MPEUZDOAZIGKOZ-UHFFFAOYSA-N 444.527 5.673 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)CSc3ccccc3)c2)cc1C 2325713853 BVJBVFUKIZUKOQ-UHFFFAOYSA-N 448.540 5.606 30 10 IKEE Cc1cccc(C=C2Oc3cc(OCC(=O)Nc4cccc(Cl)c4)cc(C)c3C2=O)c1 2325717304 LSTGXVRAFJEULH-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3cccc(C=CC(=O)c4ccc([N+](=O)[O-])cc4)c3)c(C)c2c1 2325722760 VWWKFGMDQQXPEA-UHFFFAOYSA-N 440.455 5.808 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)[C@@H](C)c3ccccc3)c2)cc1 2325738995 MZIRWHNHIKYVQP-FQEVSTJZSA-N 444.527 6.089 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(-n4cccc4)cc3)c2)cc1 2325750702 IWILJCZRTBQHIJ-UHFFFAOYSA-N 435.523 6.716 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1OC(=O)COc1ccc(C)cc1C 2325750912 QAOACBNVXBUMGM-UHFFFAOYSA-N 434.463 5.332 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1OC(=O)COc1ccccc1 2325757144 ICBIBDAVOYIOMH-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccccc1OCC 2326524944 SOKPLPLOMWGRBK-UHFFFAOYSA-N 449.407 6.111 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1N=Cc1c(C)n(C)c2ccccc12 2326637726 PODOSPFUXFWAOQ-UHFFFAOYSA-N 439.588 5.968 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccc(Cl)cc3)n2N=Cc2cccnc2)cc1 2327507114 MRBSGJYMLYUIPI-UHFFFAOYSA-N 449.967 5.388 30 10 IKEE C(=Nn1c(Cc2cccc3ccccc23)nnc1SCc1ccccc1)c1ccncc1 2327753854 DCOYYRZFEHLGSX-UHFFFAOYSA-N 435.556 5.592 30 10 IKEE CCCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(C(C)(C)C)cc1 2327771925 FIXMZXARESSHSF-UHFFFAOYSA-N 442.632 6.704 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2ccccc2O)cc1C 2329395570 GMWZHLJFNHCVEH-UHFFFAOYSA-N 442.588 5.674 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3Cl)n2N=Cc2ccco2)cc1C 2329432740 XLVAQWQZUPJBKS-UHFFFAOYSA-N 436.968 5.907 30 10 IKEE Fc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2cccc(Cl)c2)cc1 2329837455 UONXCDFGHXLMQM-UHFFFAOYSA-N 436.943 5.836 30 10 IKEE Cc1cccc(C=Nn2c(COc3ccccc3)nnc2SCc2ccccc2F)c1 2329918881 QKMUJHQJOVKLMN-UHFFFAOYSA-N 432.524 5.479 30 10 IKEE CCSc1nnc(Cc2ccc(C)cc2)n1N=Cc1ccc(OCc2ccccc2)cc1 2329966747 JOBRPEJKLHFXHI-UHFFFAOYSA-N 442.588 5.751 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl 2330624045 KOMIVQUALZRDTA-UHFFFAOYSA-N 439.826 5.432 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c(OC)c2)cc1Cl 2330718708 ROOVQDVDLLREAV-UHFFFAOYSA-N 430.928 6.129 30 10 IKEE Clc1ccc(C=Nn2c(SCCc3ccccc3)nnc2[C@@H]2CCCO2)c(Cl)c1 2330967953 ACTOSEDWBVZLID-IBGZPJMESA-N 447.391 5.653 30 10 IKEE Cc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2[C@H]2CCCO2)cc1 2330979579 IDCXXVHUYMWFDN-HSZRJFAPSA-N 428.561 5.766 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(C2CCCC2)n1N=Cc1cccnc1 2331081326 HNBXYGWSOBHTEL-UHFFFAOYSA-N 432.380 5.812 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC(=O)CSc1ccccc1 2331158094 OVLKHTWXBXZKTQ-UHFFFAOYSA-N 438.932 5.942 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3F)c([N+](=O)[O-])c2)c1 2331322933 KKVWWTHPKJAXCI-UHFFFAOYSA-N 437.398 5.605 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2sccc2C)cc1C 2331364787 WNCACIJPMHKDJX-UHFFFAOYSA-N 441.626 5.175 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cc(Cl)c(OC(=O)CC(C)C)c(OC)c2)c1 2331377272 FCFUUPQNPSPUOW-UHFFFAOYSA-N 432.900 5.213 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3OC)cc2)c1 2331381163 QRHNEKFRROWWBZ-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1 2331412622 PUQALNBSUSIXFH-UHFFFAOYSA-N 442.555 6.427 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(F)c2)cc(OC)c1OC(=O)c1ccco1 2331464293 VYLFXDJOOCGLQR-UHFFFAOYSA-N 436.435 5.280 30 10 IKEE Cc1ccccc1CSc1nnc(C2CCC2)n1N=Cc1ccc(Cl)c(Cl)c1 2331491367 ADDXPEFPKBBFAG-UHFFFAOYSA-N 431.392 6.335 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc1 2331753543 ICPIADRHWUDFHD-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1Cl 2331817093 MEFRMFNJEBOBSH-UHFFFAOYSA-N 442.898 6.617 30 10 IKEE CC1(C)OB(c2ccc(CSc3ncccc3Cl)cc2Br)OC1(C)C 2349834385 UCGNOSCZEMMHHN-UHFFFAOYSA-N 440.599 5.089 30 10 IKEE CN(Cc1csc(Br)c1)c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2365107431 PPTDFLXILPLJCR-CMDGGOBGSA-N 435.196 5.187 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccc(C#N)c(Br)c2)[C@@H]1C(F)(F)F 2370064484 NRTVHYWUXVUQKI-HUUCEWRRSA-N 448.283 5.063 30 10 IKEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccccc2CC)ccc1F 3022659 KPMYITGPPYUHGJ-UHFFFAOYSA-N 438.524 5.022 30 10 IKEE N#Cc1ccc(COc2c(Br)cc(Br)cc2Br)cc1 11834292 ZLOGVWJLSDJVKW-UHFFFAOYSA-N 445.936 5.425 30 10 IKEE CN(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(Cl)c2)cc1 20883058 OZRWXWSCXFEASX-PPHZAIPVSA-N 443.978 6.386 30 10 IKEE O=C1C[C@H](c2ccccc2Cl)CC2=C1[C@H](c1c[nH]c3ccccc13)Nc1ccccc1N2 21223425 MKDXKLPBPOAZEA-JWIGPWBQSA-N 439.946 6.801 30 10 IKEE CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cccc(C#N)c2)c1-c1ccc(C#N)cc1 25147295 NILIVAJDLPAGHL-UHFFFAOYSA-N 448.526 5.941 30 10 IKEE CCOc1ccccc1[C@H]1C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)Nc2onc(C)c21 28052174 PQEBVYHGFABDDH-WAIKUNEKSA-N 434.923 5.993 30 10 IKEE Cc1ccc(Cl)cc1N/C(=N\C(=O)c1ccccc1F)NCCc1c[nH]c2ccccc12 32943244 VRYIAMGLEBGORK-UHFFFAOYSA-N 448.929 5.709 30 10 IKEE COc1ccc(Oc2ccc(/C=C\C(=O)c3ccc(Cl)cc3Cl)cc2[N+](=O)[O-])cc1 33789565 HSMANNWPTVRTGH-SGAXSIHGSA-N 444.270 6.599 30 10 IKEE COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C\c3ccc(OC(F)F)cc3)C[C@@H]12 35718224 SDYMIDMUFXWPCF-XTZZPNJHSA-N 438.514 6.415 30 10 IKEE O=C1/C(=C/c2cccc(Br)c2)S/C(=N/c2nccs2)N1C1CCCCC1 39865101 GGWZDUYQFUUVQH-ADXGTRPZSA-N 448.411 5.842 30 10 IKEE Cc1cc(OCC(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C)C3)ccc1C(C)C 40899392 QLPNFLSUJVLDKO-AWEZNQCLSA-N 441.622 5.068 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3cccs3)C4)C2=O)cc1 41587364 XCLMUDUPZCFYTA-JJFYIABZSA-N 433.529 5.424 30 10 IKEE COc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN([C@H](C)c1ccccc1)C3 41644970 XTUXSCDJDBFKJK-YNJLWJOVSA-N 427.500 5.533 30 10 IKEE CC(C)(C)c1ccc(/C=N\N=C2\S/C(=C\c3ccccc3)C(=O)N2Cc2ccco2)cc1 47137696 GHMHMBWYHDUHAO-TYTLHDRUSA-N 443.572 6.084 30 10 IKEE CCCCCCCOc1ccc(NCC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1 100077671 SJUVHWJIHXEHAL-UHFFFAOYSA-N 437.584 5.322 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(Oc2ccccc2)c1N 101531930 XHMSJQAPAISFHH-UHFFFAOYSA-N 426.649 7.744 30 10 IKEE CCCCCCCn1c(CCCCCNC(=O)c2ccc(C)cc2C)nc2ccccc21 102166120 ALTDTOHDGLDQRW-UHFFFAOYSA-N 433.640 6.766 30 10 IKEE O=C1/C(=C\c2ccc(F)cc2)Oc2cc(OCc3ccc(Br)cc3)ccc21 103017984 KYNVTYGRVVIZJL-SRZZPIQSSA-N 425.253 5.783 30 10 IKEE CC(C)c1ccc(/C=C2/Oc3cc(OCc4ccc(Cl)cc4Cl)ccc3C2=O)cc1 103018008 SFCXPZLWKWLWTE-BHGWPJFGSA-N 439.338 7.312 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]2c2cccs2)c1 169986635 ITRGQHYWHVHTEU-HXUWFJFHSA-N 439.920 5.501 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2c[nH]c3ccccc23)cc1C 170076642 OATACYCTTMAOGF-HSZRJFAPSA-N 426.472 5.156 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2cccs2)cc1C 170156292 MPHVTXWXHILSFS-JOCHJYFZSA-N 433.529 5.465 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1cccs1)c1cccc2ccccc12 170162829 UUKNUGPWGJHWKE-JOCHJYFZSA-N 426.497 5.075 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2cccnc2)cc1C 170187593 QTPUAYBOLRMARB-DEOSSOPVSA-N 442.515 5.107 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2cccnc2)c1C 170187776 SGUCHFMWRDWMEL-RUZDIDTESA-N 434.495 5.635 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1)c1cc2cc(Cl)ccc2o1 170230535 BIYXAVSQQWKKGU-OAQYLSRUSA-N 433.847 5.458 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2ccc(F)cc2)cc1 170239973 LRRADUYEYHTYEZ-DEOSSOPVSA-N 443.474 5.242 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(C(C)C)cc1 170244712 ATXRPVGUZFJMOH-NRFANRHFSA-N 427.928 5.078 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1cccc(O)c1 170263503 SRIMPEAQRLGFAS-QHCPKHFHSA-N 437.536 5.196 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccco1 170280152 BMMWVXZEKZQKHS-DEOSSOPVSA-N 439.467 5.220 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccco2)c1 170296650 SVIVLUGOACATQX-QHCPKHFHSA-N 449.478 5.029 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2sccc2C)c1 170317423 NHNFNUWYIGAVLX-NRFANRHFSA-N 439.577 5.756 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)cc2OC)[C@@H]1c1sccc1C 170318647 DNJIQVKBWUOJBX-GOSISDBHSA-N 449.956 5.106 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cccc(OCCC)c1 170323366 XFXKVKNAMFMJJB-QFIPXVFZSA-N 425.500 5.301 30 10 IKEE CC(C)(C)Oc1ccccc1CN1C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]1c1ccc(O)cc1 170447798 ADCKXCIUMQUCRB-NRFANRHFSA-N 437.536 5.080 30 10 IKEE CC(C)(C)c1ccc(/C=C/C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1 170522141 FUAOLZOOTWRIRF-KNTRCKAVSA-N 446.550 7.435 30 10 IKEE Cc1cc(C)c2nc(-n3ncc(C#N)c3Nc3nc4ccc(Cl)cc4s3)cc(C)c2c1 170547196 XHYXAYCIOJNZFA-UHFFFAOYSA-N 444.951 6.224 30 10 IKEE CCCOc1c(Cl)cc(/C=C\C(=O)Nc2ccccc2SCCC#N)cc1OC 209928288 LEIQIEWCAHXEOQ-KTKRTIGZSA-N 430.957 5.795 30 10 IKEE CCOc1ccc2c(c1)O/C(=C/c1cccc(OCC)c1OC(=O)c1ccccc1F)C2=O 210091474 QBRXHDVTYLQSNG-OEAKJJBVSA-N 448.446 5.459 30 10 IKEE C=C(C)CN(CC)C(=O)CSc1nnc(-c2cccs2)n1[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 249883341 BHBBCUOJRSLMCH-YDZRNGNQSA-N 444.670 5.521 30 10 IKEE CCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3F)c2C)SC1=Nc1ccc(OC)cc1 252626824 RGESGHJANGBKBU-ZRAGWZJNSA-N 449.551 5.866 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1-c1ccc2ccccc2c1 253564619 GSJOSRMZSLTQEJ-UHFFFAOYSA-N 448.979 5.977 30 10 IKEE CN(C)C(=O)Oc1ccc(/C=C2\SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc1 254412424 VOQLMDVYDIFDIX-LXDPFISSSA-N 443.528 5.556 30 10 IKEE Cc1ccc(N=C2S/C(=C3/Sc4ccccc4N3C)C(=O)N2c2ccc(F)cc2)cc1 254708413 FXWQUBPOHIDIGV-GAUWVFOVSA-N 447.560 6.313 30 10 IKEE COc1ccc(C=NOCc2nc3c4c(C)c(C)n(C5CCCCCC5)c4ncn3n2)cc1 254710956 QKFNZCMEYWBWMB-UHFFFAOYSA-N 446.555 5.150 30 10 IKEE Cc1ccc2nc(-c3ccc(C)c(N=Cc4c(O)ccc5cc([N+](=O)[O-])ccc45)c3)oc2c1 254818768 HAXKKGPHPMVUFD-UHFFFAOYSA-N 437.455 6.629 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)c1ccc(OCc2ccccc2)cc1 405038575 XZFHJOLWRLGPBZ-UHFFFAOYSA-N 443.352 5.126 30 10 IKEE COc1cc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccco2)ccc1OCC(C)C 526520465 HFPOVAHNPSAHOM-XMMPIXPASA-N 444.487 5.252 30 10 IKEE Cc1cccc(CSc2nnc(C)n2/N=C\c2c(Cl)ccc(Cl)c2Cl)c1 526807727 FGSWZXTUOUWCGW-AFPJDJCSSA-N 425.772 6.030 30 10 IKEE CCOc1cc(/C=N\n2cnnc2SCc2ccccc2Cl)cc(Cl)c1OC 526815676 ILPMOCNUMIZKDT-RMORIDSASA-N 437.352 5.167 30 10 IKEE CCOc1cc(/C=N\n2cnnc2SCc2cccc(F)c2)cc(Cl)c1OC(C)C 526824575 JPYKANMSCLFLKZ-GATIEOLUSA-N 448.951 5.431 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)Nc3cccc(F)c3)C2)c1 585881722 XOCRDTAYYXXEBR-QFIPXVFZSA-N 438.547 5.090 30 10 IKEE Cc1cccc(N(C(=O)c2cccc(C#N)c2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 586268391 LHBGKXICRWCRAW-UHFFFAOYSA-N 445.327 5.209 30 10 IKEE COc1cccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc4ccccc4n32)c1OC(F)F 606630901 VDPNVOAARASXEP-HXUWFJFHSA-N 439.462 5.304 30 10 IKEE C=CCc1cc([C@@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1O 687754425 AEAZCTMFGNYUNH-XMMPIXPASA-N 443.499 5.175 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)c(F)c1F 689647085 MKCYCEHEUXANPT-QAPCUYQASA-N 447.364 5.628 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1ccc(OCc2ccccc2)cc1 698375612 TWZULIMZIRANJQ-XMMPIXPASA-N 444.531 6.281 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@](C)(C#N)CCc1ccccc1 698448061 VUCWMEQFQZHXTL-QFIPXVFZSA-N 429.358 6.106 30 10 IKEE CC(C)N1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Br)CC1 698453814 GZAZTMARFGTKEA-OAQYLSRUSA-N 436.394 5.347 30 10 IKEE C=CCC1([C@H](Cc2cccc(Cl)c2Br)NC)CN(C(=O)OC(C)(C)C)C1 722917758 GKAQUNVLKUNCOA-INIZCTEOSA-N 443.813 5.046 30 10 IKEE CCCOc1ccc(Br)cc1/C=C\C(=O)c1ccc(C(F)(F)F)nc1O 731562694 GGUCFAKUWAAVGM-UTCJRWHESA-N 430.220 5.253 30 10 IKEE O=[N+]([O-])c1ccc(NN=Cc2ccccc2OCc2ccccc2Cl)c([N+](=O)[O-])c1 1084376553 DXNHGAXRULYSSZ-UHFFFAOYSA-N 426.816 5.181 30 10 IKEE COc1ccccc1CNN=Cc1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12 1084428751 PYZXTWOZOGNPHU-UHFFFAOYSA-N 441.487 5.459 30 10 IKEE CCOC(=O)c1sc(NN=Cc2ccc(OCc3ccccc3Cl)cc2)nc1C 1084567416 JTLROQCLJSSRRB-UHFFFAOYSA-N 429.929 5.307 30 10 IKEE C=CCC[C@H](NC(=O)c1cc(Br)cnc1O)c1ccc(C(F)(F)F)cc1 1137721785 LRHCZNQZWDPSAI-HNNXBMFYSA-N 429.236 5.006 30 10 IKEE C=CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H](C)c1cccs1 1539963535 WRWRDZVPUZGTGG-MRXNPFEDSA-N 434.569 5.209 30 10 IKEE O=C1/C(=C\c2ccc(Cl)cc2)SC(=NN=C/C=C\c2ccccc2)N1Cc1ccco1 1772759804 ZGPZFRDXCGXEPQ-OJFRYADJSA-N 447.947 6.105 30 10 IKEE COc1ccccc1Nc1nc(C)c(C(=O)Nc2scc(C(C)(C)C)c2C#N)s1 1860825888 RYBKJDRMYYETRU-UHFFFAOYSA-N 426.567 5.687 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1861021566 GTOWFUHQPXRKOR-IBGZPJMESA-N 439.984 5.404 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(Cl)c1 1861047049 GZLKVBDIIVUJEY-DEOSSOPVSA-N 443.031 5.938 30 10 IKEE CCCCCCCCNC(=O)[C@H](NC(=O)c1ccc(Br)cc1)c1ccccc1 1861339416 LOHQJXBCNJJWOO-OAQYLSRUSA-N 445.401 5.397 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)CCCOc1c(C)cccc1C 1861685092 XMALFSIPAIUAGC-XMMPIXPASA-N 444.660 5.710 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(OCC)cc2)n(Cc2cc(C)ccc2C)n1 1862360242 DYTBOGXGGOTQBK-UHFFFAOYSA-N 429.564 5.428 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1 1862444021 WGNNUTZEGPRIGC-RFVSGWPVSA-N 427.903 5.636 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccccc2F)c1 1862444028 WIHKASCNEDRPIT-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(OCCC)cc1 1862461444 FTPXFBJPQDLPFY-NRFANRHFSA-N 447.453 5.271 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccc(F)cc2)c1 1862478851 SAOAVAVJRFFNPJ-XMMPIXPASA-N 445.490 5.311 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 1862481627 HQZGXPXUEBPIHN-OAQYLSRUSA-N 445.481 6.172 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OCCCC)cc1 1862482442 NKFPGAMHRDKHFV-DEOSSOPVSA-N 435.564 5.942 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccc(C)cc2)cc1 1862488707 GVPSAJMXTYDXEL-SANMLTNESA-N 439.555 5.953 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)c1 1862493337 NDENRNLFOJQMQM-DNVKUUNQSA-N 447.575 5.859 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccccc2)cc1 1862514665 LAERQQZWXFCOTC-RUZDIDTESA-N 447.575 6.167 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2cccc(Br)c2)cc1 1862540656 SGYIXSAHSRGVJK-FQEVSTJZSA-N 442.353 5.246 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)CCCC2 1862551167 QPSLIRNUQFPNET-OAQYLSRUSA-N 442.342 5.613 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2cc(C)ccc2C)cc1 1862556513 YJNPBGCXIFSCEM-VWLOTQADSA-N 440.543 5.227 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1cccc(Cl)c1 1862561332 SZRJUEYUHPNQMI-JOCHJYFZSA-N 440.971 5.861 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(C(C)(C)C)cc1 1862631710 SHOLINHNKPYKNE-HSZRJFAPSA-N 449.547 5.481 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(OCC)c(OC)c1 1862657833 KHURZYBJAILLBO-XMMPIXPASA-N 443.499 5.011 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(C(C)C)cc1 1862664743 QPJRREOZJLFFIZ-SANMLTNESA-N 447.619 7.092 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862665401 GBOLDINWAYDESY-QHCPKHFHSA-N 448.519 5.629 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cc(Cl)cc(Cl)c1 1862667637 HITZCWOIGCNRSU-OAQYLSRUSA-N 446.374 6.351 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CCC(C)C)c1 1862707525 XTZQRQDRZHRCCK-QHCPKHFHSA-N 437.536 5.108 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc2cc[nH]c2c1 1862726232 AYCATGQSTBRFTJ-RUZDIDTESA-N 436.511 5.823 30 10 IKEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccccc2C)cc1 1862733903 ZSYIDKLFAWTYFY-VWLOTQADSA-N 447.575 6.085 30 10 IKEE N#Cc1cccc(NC2=C(c3ccccc3F)C(=O)N(c3cccc4ccccc34)C2=O)c1 1862922519 CODJRVRJYLKNJU-UHFFFAOYSA-N 433.442 5.247 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(Cl)cc2)C1=O 1863174091 WQMDTOGGWSZWQD-UHFFFAOYSA-N 435.955 5.764 30 10 IKEE CCCCCN1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863283928 CMFNUUNHTIRWCP-UHFFFAOYSA-N 428.319 5.247 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccc(OC)cc2)=C(c2ccccc2F)C1=O 1863647919 FHTZOGNGRHYQIN-UHFFFAOYSA-N 438.543 5.065 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)N1CCn2c(C#N)ccc2[C@H]1C 1866342524 OGNMTKHJGBOORY-XMMPIXPASA-N 427.677 7.524 30 10 IKEE CCC[C@H](NC(=O)C[C@H](c1ccc(Cl)cc1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866759964 BDAVNJLZOFOGPT-VXKWHMMOSA-N 425.960 5.265 30 10 IKEE CC[C@@](C)(NC(=O)C[C@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1ccccc1C#N 1866784374 VPDQTIMLPFGREW-YIXXDRMTSA-N 443.522 5.143 30 10 IKEE C=CCN(CC=C)c1cc(N2CCO[C@@H](c3ccccc3)C2)nc(-c2ccc(F)cc2)n1 1869277339 CHKFNEJZHSCZOE-HSZRJFAPSA-N 430.527 5.039 30 10 IKEE CCCCOc1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(-c3ccccc3)cc2)cc1 1870139240 GMNCZNFJTRZZOA-UHFFFAOYSA-N 437.503 5.237 30 10 IKEE C=CCn1cc(OCc2ccc(C(=O)OC(C)C)cc2)c(=O)cc1CSc1ccccc1 1870224273 FIYLXJATCIFJGU-UHFFFAOYSA-N 449.572 5.471 30 10 IKEE CCCCCCCOc1cn(CCCCCCO)c(CN2C[C@@H](C)C[C@@H](C)C2)cc1=O 1870416970 XKXOGZHWQZRUHE-ZRZAMGCNSA-N 434.665 5.228 30 10 IKEE C=CCn1cc(OCc2ccccc2)c(=O)cc1CNc1ccc(Br)c(C)c1 1870894568 IBTGRXUJVZLGAX-UHFFFAOYSA-N 439.353 5.296 30 10 IKEE C=CCn1cc(OCCCc2ccccc2)c(=O)cc1CNc1cccc(C(F)(F)F)c1 1871137867 UGUDJDZCJCTICY-UHFFFAOYSA-N 442.481 5.677 30 10 IKEE C=CCn1cc(OCc2ccc(C)cc2)c(=O)cc1CNc1ccc(OCC)c(OCC)c1 1871205699 RRXAWNIELBROAV-UHFFFAOYSA-N 448.563 5.331 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccco1)O3)CN(CCc1cn(C)c3ccccc13)CO2 1871344941 JXOYQMKVCNUCDO-CFRMEGHHSA-N 440.499 5.091 30 10 IKEE CCCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccccc1Br)C3=O 1871346603 NPIRGPPPPUTUPW-NDENLUEZSA-N 428.326 5.407 30 10 IKEE O=C1/C(=C/c2cccc(F)c2)Oc2cc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])ccc21 1871373469 IILSLWVSKQUMPQ-UKWGHVSLSA-N 439.782 5.223 30 10 IKEE O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)Oc2cc(OC(=O)c3cccc4ccccc34)ccc21 1871378059 STYRAVNKDFNOEH-OYKKKHCWSA-N 437.407 5.583 30 10 IKEE Cc1c(OC(=O)CCOc2ccccc2)ccc2c1O/C(=C\c1ccc(Cl)cc1)C2=O 1871383099 CUAOJXZVVWDUPB-JCMHNJIXSA-N 434.875 5.639 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O)c1ccc(Cl)c([N+](=O)[O-])c1 1871383362 HDYCVVUGQVBWEM-UKWGHVSLSA-N 439.782 5.223 30 10 IKEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)c(OC)c1 1871386640 FXMPGWWYLBHLNO-FMCGGJTJSA-N 430.456 5.156 30 10 IKEE CC(C)Oc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)c1 1871388274 MSCLGGIRWUHADU-FMCGGJTJSA-N 434.875 5.963 30 10 IKEE Cc1cc(O)c(CN2CCC[C@H](C)C2)c2c1C(=O)/C(=C/c1c(Cl)cccc1Cl)O2 1871396364 BQAZKTBDJHQTMA-NLLJVSSUSA-N 432.347 5.856 30 10 IKEE COc1cccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccccc4Cl)ccc3C2=O)c1 1871405827 QKPWAADNXJIKRU-KSJDGYIASA-N 449.890 5.371 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(O[C@H](C)C(=O)Nc4ccccc4)c3C)C2=O)cc1 1871407743 ZPVFOFODYRSMCF-XMSCMFJESA-N 429.472 5.026 30 10 IKEE CCCCCCCCN=c1[nH]c(=NCCCCCCCC)[nH]c(=NCc2ccccc2)[nH]1 1871743174 ULUMPACHBDHIGD-UHFFFAOYSA-N 440.680 5.294 30 10 IKEE N#C[C@H](C(=O)/C=C/c1ccccc1Cl)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872759598 TXLGAUPXMTVPJJ-JXVRESAISA-N 440.955 7.020 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(C)cc3)n2)cc1OCCC 1872766736 KEKZGAKLCXXNIN-NRFANRHFSA-N 448.588 6.115 30 10 IKEE N#C[C@@H](C(=O)C12CC3CC(CC(C3)C1)C2)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872770037 HOAJZZOFEFUSQH-UTQJESMHSA-N 431.388 6.510 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)Cc3ccccc3[N+](=O)[O-])n2)cc1C(C)C 1872779512 LEZWQIXDFCWIHC-LJQANCHMSA-N 449.532 5.578 30 10 IKEE CCCCC1CCC(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3OC)cs2)CC1 1872783712 GJQLMEXCKNGVSG-LBXVMSDZSA-N 426.582 6.000 30 10 IKEE COc1c(Cl)cc(-c2csc([C@@H](C#N)C(=O)COc3ccccc3)n2)cc1Cl 1872785198 IBCKOESJAOMRFJ-AWEZNQCLSA-N 433.316 5.381 30 10 IKEE COc1ccc(C(=O)[C@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1OC 1872787202 DMKNLGCFQQGHQP-AWEZNQCLSA-N 433.316 5.624 30 10 IKEE N#C[C@H](C(=O)c1ccc(-n2cccc2)cc1)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872787492 KSFLOQSNJILESX-GOSISDBHSA-N 438.339 6.398 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2cc(C)ccc2C)=C(c2cccc(OC)c2)C1=O 1873045374 HXIRDFMFHRTCCC-UHFFFAOYSA-N 448.607 5.542 30 10 IKEE CCCCCCCCCCNC1=C(c2cccnc2)C(=O)N([C@@H](C)c2ccccc2)C1=O 1873077221 OZHGLOJVLGUZET-NRFANRHFSA-N 433.596 5.653 30 10 IKEE CCCCCCCCNC1=C(c2cc(F)cc(F)c2)C(=O)N(CCC2=CCCCC2)C1=O 1873113175 LKJVWCPWZDIREA-UHFFFAOYSA-N 444.566 5.885 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(C)cc2)=C(c2cccc(OC)c2)C1=O 1873215320 ZSRJXFASJPRBHZ-UHFFFAOYSA-N 448.607 6.336 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Cl)cc2Cl)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873276442 HXJVHIAXASRXRE-UHFFFAOYSA-N 449.337 6.038 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(OCCCC)cc2)=C(c2c(Cl)cccc2Cl)C1=O 1873289304 HAVOPBXQPVWEAD-UHFFFAOYSA-N 445.346 5.550 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccccc2C#N)=C(c2ccccc2C)C1=O 1873302938 KTZPEKXYGOAFHK-UHFFFAOYSA-N 443.591 6.199 30 10 IKEE C=CCn1c(C(=O)NCCCCCCCC)cc2c(N3C[C@@H](C)C[C@@H](C)C3)ncnc21 1873593825 IJZIVIDQJFVBNG-BGYRXZFFSA-N 425.621 5.190 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)c(Cl)c2)cc2c(NCc3cccc(C)c3)ncnc21 1873617268 HNDCCLKEMFAAFW-UHFFFAOYSA-N 445.954 5.752 30 10 IKEE C=CCn1c(C(=O)Nc2cc(Cl)cc(Cl)c2)cc2c(N3CCC[C@@H](C)C3)ncnc21 1873657837 QQYRAJAHRNBNMO-CQSZACIVSA-N 444.366 5.413 30 10 IKEE Cc1cccc(CSc2nnc(Cc3cccc4ccccc34)n2/N=C/c2cccnc2)c1 1874270435 BBVBSQBTFUPWIM-RDRPBHBLSA-N 449.583 5.900 30 10 IKEE CCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(Cl)c(Cl)c1 1874270460 BYKJJGUAOQYTKB-AFUMVMLFSA-N 441.387 6.323 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2/N=C/c2cc(Cl)ccc2O)CC1 1874287505 IKNZHVQLHUXJGS-BUVRLJJBSA-N 435.037 6.485 30 10 IKEE CCCCC1CCC(c2nnc(SCC(=O)OC)n2/N=C/c2ccc(C)cc2)CC1 1874287665 QMTLPNPULOUZQR-BUVRLJJBSA-N 428.602 5.198 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2C)cc1C 1874358580 OYVDDVORUVREIB-WPWMEQJKSA-N 426.589 5.969 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccc(F)cc3)n2/N=C/c2ccccn2)c1 1874379804 NDSDPYUBPMSOEW-JFLMPSFJSA-N 431.540 5.194 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2)n1/N=C/c1ccc(O)cc1O 1874395286 JAAMYJKTTKYWNO-SCELWYEFSA-N 430.533 5.016 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(-c3cccs3)n2/N=C/c2ccccc2)c1 1874421739 BFUDLTLIKIHMGE-ZVHZXABRSA-N 447.589 5.236 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2ccccc2F)cc1 1874427087 PWDTYEYMZWDKFG-ZVHZXABRSA-N 433.468 5.167 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2[C@@H]2CCCO2)cc1 1874448204 WBFAMGCXBIFDAI-XAOCGEIJSA-N 440.544 5.232 30 10 IKEE CC(C)(C)c1ccc(/C=N/n2c(SCCc3ccccc3)nnc2C(F)(F)F)cc1 1874461251 DYTLLEGCNFJPLB-CVKSISIWSA-N 432.515 5.811 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C(F)(F)F)cc1 1874462958 MRZJZSGRUWSVNN-KTZMUZOWSA-N 449.260 5.917 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3)nnc2-c2ccco2)cc1 1874464179 VKCNWQHHBVOJQO-MFKUBSTISA-N 445.548 5.275 30 10 IKEE Clc1cccc(/C=N/n2c(SCc3ccccc3Cl)nnc2-c2ccco2)c1 1874467176 VOTJTRVYJMYGGH-FSJBWODESA-N 429.332 6.019 30 10 IKEE CCCCc1nnc(SC)n1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1874475458 BBQSLJMMQYUOGF-YZSQISJMSA-N 430.577 5.957 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874479769 PXVHFPQWKNVLEM-LPYMAVHISA-N 429.933 5.357 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2cc(C)ccc2C)nnc1C(C)(C)C 1874484515 ZSFKXACBCAROFV-WGOQTCKBSA-N 434.609 5.932 30 10 IKEE CCOc1c(/C=N/n2c(SCc3ccccc3F)nnc2C2CCC2)cccc1OC 1874496036 SCOZFMFBUAUHIU-AFUMVMLFSA-N 440.544 5.267 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1cc(OC)ccc1OC 1874508337 XYSARQKHOFFZTP-YDZHTSKRSA-N 430.961 5.076 30 10 IKEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3c(C)cccc3C)nnc2C(C)C)cc1 1874512996 BAMAFBLYZAZGHR-AFUMVMLFSA-N 435.597 5.194 30 10 IKEE O=C(Oc1ccc(/C=N/n2cnnc2SCc2cccc(Cl)c2)cc1)c1ccccc1 1874540081 HGSFHNMURDLZAX-VULFUBBASA-N 448.935 5.325 30 10 IKEE CCc1ccc(C(=O)/C=C/c2c(OCC(=O)Nc3nccs3)ccc3ccccc23)cc1 1874572971 OETQKGJMAKSESO-OUKQBFOZSA-N 442.540 5.772 30 10 IKEE O=C(COc1ccccc1/C=C/C(=O)c1ccc(Cl)cc1Cl)Nc1ccccc1 1874573212 BCPKNIKRJNLSBX-JLHYYAGUSA-N 426.299 5.907 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1OCC(=O)NC1CCCCC1 1874597125 VZDBBCHZORLKHO-MHWRWJLKSA-N 449.591 5.717 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2F)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 1874603793 FSRLVVPHUJLFOK-UKTHLTGXSA-N 431.463 6.088 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OCc1ccc(C(=O)OC)o1 1874618413 ZMEUQGAYYQYPCI-DHZHZOJOSA-N 434.488 5.557 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OCCc1ccccc1 1874622243 TYSUANOVORGCNV-LFIBNONCSA-N 444.571 6.519 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OCc1cccc(F)c1 1874623155 OJQQSZCIWDTVCL-KPKJPENVSA-N 438.926 7.086 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccc(OCc2cccc(C)c2)cc1 1874628573 KPAWOEBCISEZCM-DHZHZOJOSA-N 427.327 6.786 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OC(=O)CCc1ccc(Cl)cc1 1874703465 QWIYIIQBHRGIHE-MDWZMJQESA-N 448.946 6.400 30 10 IKEE CCOc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3cc(Cl)ccc3Cl)c2)cc1 1874718702 MJVFWUYRVCVSNC-AWNIVKPZSA-N 441.310 6.507 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2cc(Cl)ccc2Cl)CSc2nncn21 1874819474 RQUXPOSATBZZLD-QGZVFWFLSA-N 427.401 5.647 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(OCCC)cc2)CSc2nnc(C)n21 1874828493 GQXAISLLFXBBBV-NRFANRHFSA-N 430.618 5.438 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(Cl)c1OC(=O)c1cccs1 1875101152 PIXUGPFKWPJDRZ-FMIVXFBMSA-N 440.948 6.478 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2Br)cc1)c1ccccc1Cl 1875111644 NEKOHSDIBARPOW-SDNWHVSQSA-N 441.708 6.218 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)[C@H](C)Oc2ccc(C(C)C)cc2)cc1 1875117667 GZNTXFGJUVYPLF-OBXYEHHASA-N 444.527 6.088 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1Cl 1875121141 BIPFXMBWRKLYFG-FMIVXFBMSA-N 425.311 6.428 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)c1ccc(F)c(F)c1F 1875128512 HQXYDNKPULCWTP-XYOKQWHBSA-N 426.390 5.618 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc([N+](=O)[O-])c1OC(=O)c1ccc(CC)cc1 1875128847 XMLSMRVLCMKVDH-NTCAYCPXSA-N 445.471 5.671 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(OCC)cc2)cc1OC 1875129027 HKEGKJHXUJCPNU-XNTDXEJSSA-N 444.955 6.519 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC3CCCCC3)c([N+](=O)[O-])c2)cc1F 1875152348 APLLFYUAJXGLIF-JXMROGBWSA-N 441.455 5.514 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)c1ccc(F)cc1F 1875158099 FMNCCZKWDPKWDC-XCVCLJGOSA-N 442.389 5.236 30 10 IKEE O=C(CCCOc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1Cl 1875158193 JWYRNQTZRGEQKH-RIYZIHGNSA-N 438.882 6.140 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cc(OC)c(OC(=O)C2CC2)c(OC)c1 1875160587 DXDXJGQKHJTQJV-YRNVUSSQSA-N 438.520 5.221 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1c(F)cccc1Cl 1875163500 NUIGLRBNQMZJCP-WEVVVXLNSA-N 446.808 5.881 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)cc3OC)cc2OC)cc1 1875177588 DPSVXBGHPRYVCM-RIYZIHGNSA-N 446.499 5.390 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1ccc(F)cc1 1875183890 YKZRAICHHIOWLG-WUXMJOGZSA-N 432.491 6.265 30 10 IKEE CCCCCCCCC[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875584114 RFAHEPBXFCQWRO-NDEPHWFRSA-N 446.631 8.019 30 10 IKEE C[C@H](C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1ccc(-c2ccccc2)c(F)c1 1892316549 ATPDAPVEVOKFMA-IBGZPJMESA-N 428.507 5.538 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@H](C#N)[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C 1899597096 WXRFAQBCSITCPJ-SJORKVTESA-N 435.590 5.023 30 10 IKEE C=C(C)[C@@H]1CC[C@@]2(C=O)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]34C)[C@H]12 1903846624 FELCJAPFJOPHSD-RYIHONRDSA-N 440.712 7.204 30 10 IKEE C=C([C@@H](NCC)c1cc(I)ccc1Br)[Si](C)(C)C 1922877130 ZNLISJNFVLLNFC-CQSZACIVSA-N 438.223 5.138 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc([C@H](C#N)N(C[C@H]2CCCO2)C(=O)OC(C)(C)C)c1 1944064945 XQSJMTIUJHITTD-MOPGFXCFSA-N 431.533 5.014 30 10 IKEE CCCCCCCCCC[C@H](N)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1947488131 DOIQOOGZABIQSK-BJKOFHAPSA-N 434.665 6.345 30 10 IKEE N#Cc1cccc([C@@H](CCC(=O)O)CNC(=O)OCC2c3ccccc3-c3ccccc32)c1 1951555575 PGWUBUJVPBPVKU-FQEVSTJZSA-N 440.499 5.045 30 10 IKEE CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 2014634775 GKCWYJPGPOCDTE-JPYJTQIMSA-N 449.617 5.413 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@@H](C#N)[C@@]1(C)CCCN1C(=O)OC(C)(C)C 2020804265 NSWFCUVYIDVAQL-FDDCHVKYSA-N 449.979 5.763 30 10 IKEE CCCCCCCCC[C@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCC 2035467811 QEIANOJLWVYZNU-JWQCQUIFSA-N 448.692 6.605 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(C(=O)OC(C)(C)C)CC3(CC3)C2)c1 2037321208 XYRRLOCJGVPNQT-RUZDIDTESA-N 441.572 5.420 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(C(=O)OC(C)(C)C)CC3(CC3)C2)cc1 2037322201 SPKSWLLTGYQKNI-RUZDIDTESA-N 441.572 5.420 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)CC12CCC2 2038097568 XXDSEOAWDSTDOO-XMMPIXPASA-N 445.535 5.393 30 10 IKEE N#Cc1ccc(Cl)cc1NC(=O)COC(=O)C(=Cc1ccc(F)cc1)c1cccs1 2040422284 REVRWHNMZGTVKW-UHFFFAOYSA-N 440.883 5.135 30 10 IKEE O=C(c1cc(C#CCCO)cc(C(F)(F)F)c1)N(Cc1ccccc1)Cc1ccccc1 2052302879 JPAMCBBSKXBIFW-UHFFFAOYSA-N 437.461 5.282 30 10 IKEE CCc1cc(C(C)=NOCc2ccc(C3CCCCC3)c(C(F)(F)F)c2)ccc1CO 2054622942 XKEXBFZQUALQFX-UHFFFAOYSA-N 433.514 6.749 30 10 IKEE CC(C)(C)[C@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)(F)F)c(CO)c1Cl 2079978639 DRZZICNSYYWZNK-ZDUSSCGKSA-N 432.767 5.841 30 10 IKEE CCOC(=O)c1c(C(F)(F)F)nn([C@@H](CC)c2ccc(C(F)(F)F)c(F)c2)c1Cl 2080052194 JYDYXMKUUZCMQT-NSHDSACASA-N 446.750 5.889 30 10 IKEE C[C@H]1CCCN(c2cc(Br)ccc2C#N)[C@@H]1CCCNC(=O)OC(C)(C)C 2174808031 JGDOLDGRIKHQSA-MAUKXSAKSA-N 436.394 5.231 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1ccc(C2CC2)nc1 2181761072 AACKFFXKJYHJSH-IBGZPJMESA-N 428.330 5.728 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCN[C@@H](C2CCC2)C1 2194158128 LPFFOPFZTKYLDA-DYESRHJHSA-N 434.378 5.005 30 10 IKEE CC#CCCCC[C@@H](NCCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2196175042 UKZDRQRFBXMEBJ-LJQANCHMSA-N 437.422 6.421 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[C@@H]2Nc2cc(Br)ccc2C#N)C1 2233764395 RIXQHHZHYDYNTI-NXHRZFHOSA-N 434.378 5.158 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2ccc(Br)cc2C#N)C[C@@H]2CCCC[C@H]21 2240971797 GWZSFGRCLRJTNB-UCLAIMLFSA-N 434.378 5.301 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)[C@H](C)C(C)C)s1 2247928516 AIZABKTWXHVDNW-GOSISDBHSA-N 427.419 5.043 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1c(F)cccc1I 2247958293 MNIWLJJLTXRPRQ-HXUWFJFHSA-N 439.312 5.244 30 10 IKEE CC#CCCCC[C@@H](NCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248456701 TVKKRZDFUMMTCN-HSZRJFAPSA-N 428.617 5.002 30 10 IKEE CCCN[C@@H](CC#CC(C)(C)C)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2256696634 NREVPCGGVOPQRA-QHCPKHFHSA-N 442.644 5.248 30 10 IKEE C=CCCC1(C(=O)c2cc(F)cc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2272725637 DTXWWKLRCRZFJQ-UHFFFAOYSA-N 430.289 5.113 30 10 IKEE CC[C@@H](CCNC(=O)OC(C)(C)C)CC[C@H](C#Cc1cccc(Br)c1)NC 2296217499 VGGUFRXOFMJODU-YLJYHZDGSA-N 437.422 5.110 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](CC(=O)C#Cc1ccc(Br)cc1)c1ccccc1 2296273368 OJJAIHSYRUBZNT-FQEVSTJZSA-N 428.326 5.026 30 10 IKEE CN[C@@H](C#Cc1ccc(Br)cc1)C[C@H](CC(C)(C)C)NC(=O)OC(C)(C)C 2296294154 QRCVBNQRCPFDOE-RBUKOAKNSA-N 437.422 5.108 30 10 IKEE COc1ccc([C@@H]2C(=C(O)C=Cc3ccccc3)C(=O)C(=O)N2c2cccc(C)c2)cc1 2297471185 ZSRYAQQDQCAALM-RUZDIDTESA-N 425.484 5.186 30 10 IKEE CC(C)(C)OC(=O)NC1([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)CCCC1 2302600557 IULVSGQXNUGSRJ-GOSISDBHSA-N 449.979 5.811 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@@]1(C#N)C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 2310843366 ARQPHMFWARCBCW-HJJDGDTKSA-N 436.527 5.845 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O)c1ccccc1 2314437714 UROPTGMASRRPCB-UHFFFAOYSA-N 425.267 5.871 30 10 IKEE CN1C(=O)C(=Cc2cccc3ccccc23)SC1=Nc1nc(-c2ccccc2)cs1 2314543567 HLVUPOVAQIFUPS-UHFFFAOYSA-N 427.554 6.197 30 10 IKEE CC(C)N[C@@](C#N)(CCC1CC1)CN(CCN(C)Cc1ccccc1)Cc1ccccc1 2318398738 LEHIPZLSEPUELQ-MUUNZHRXSA-N 432.656 5.071 30 10 IKEE CCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1ccc2nccnc2c1 2321817121 KJTVLNXQOAFDMK-UHFFFAOYSA-N 444.608 5.646 30 10 IKEE CCc1ccc(C=C2Oc3c(cc4c(c3C)OCN(CCCN(CC)CC)C4)C2=O)cc1 2322378791 GRSCXWZSDDBVGX-UHFFFAOYSA-N 434.580 5.057 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(F)cc2)c1OCc1cccc(Cl)c1 2322748240 DZXYFANYERPNDK-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)c4cc5ccccc5o4)cc(C)c3C2=O)cc1 2322840695 SMNLIXQFIWYIEN-UHFFFAOYSA-N 426.424 5.585 30 10 IKEE O=C(Cc1ccc(Cl)cc1)Oc1ccc2c(c1)OC(=Cc1c(F)cccc1Cl)C2=O 2322890011 JBQUNMFNUPLZMI-UHFFFAOYSA-N 443.257 5.897 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O)c1cc([N+](=O)[O-])ccc1Cl 2323231437 XOOJCIXEMQGRRW-UHFFFAOYSA-N 439.782 5.223 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccc3c(c1)OCO3)C2=O)C(Cl)=Cc1ccccc1 2323439292 CZQLOFKXQUTBCW-UHFFFAOYSA-N 446.842 5.217 30 10 IKEE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)cc1 2323813022 QKBKLFFVXUHLRU-UHFFFAOYSA-N 445.427 5.217 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1cccc(C)c1 2323914970 KFSMVWQNFBPSQL-UHFFFAOYSA-N 429.516 5.616 30 10 IKEE Cc1cc(O)c(CN2CCCCCC2)c2c1C(=O)C(=Cc1ccc(-c3ccccc3)cc1)O2 2324070575 ORERGDJETZPBHY-UHFFFAOYSA-N 439.555 6.360 30 10 IKEE CCc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccc(C)cc4C)ccc3C2=O)cc1 2324494308 RCAYCTYNQKYJOO-LJQANCHMSA-N 441.527 5.888 30 10 IKEE Cc1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)c1C 2324498811 QESRKVHUCPYMCK-FQEVSTJZSA-N 439.511 5.882 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)ccc1OCc1cccc(C)c1 2324545083 DPNYGXXIJPKAJV-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OCc1ccc(C)cc1 2324547480 DAMGQGRFIUTNRX-UHFFFAOYSA-N 430.544 6.413 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(OCc3ccc(C(=O)OC(C)C)cc3)c2C)C1=O 2324608294 JMUCBHNXBXENMG-UHFFFAOYSA-N 448.540 6.125 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(OCC(=O)OCC(C)C)c3C)C2=O)c2ccccc21 2325068456 PYSAAUGGYOOZSM-UHFFFAOYSA-N 433.504 5.164 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(OC)cc1 2325532271 ZTGRXIGIEFOBJY-UHFFFAOYSA-N 430.577 5.957 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(Br)cc1 2325552692 DFVNFEINKBTGIA-UHFFFAOYSA-N 433.350 5.307 30 10 IKEE Cc1cccc(COc2cc(C)c3c(c2)OC(=Cc2cc(Cl)cc4c2OCOC4)C3=O)c1 2325720844 UHVGYAHFGPIXLF-UHFFFAOYSA-N 448.902 6.019 30 10 IKEE COc1ccccc1CC(=O)Oc1cccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)c1 2325756730 TVQTXHBCWASIHN-UHFFFAOYSA-N 428.528 5.973 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1 2325781691 IMHMZYCHYJMCLZ-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE C=C(C)CSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1ccncc1 2325912385 GBYBCYVBKSVHRS-UHFFFAOYSA-N 434.352 5.109 30 10 IKEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1cccc(OC(C)C)c1 2326489451 FALCZFUNQHRZNS-UHFFFAOYSA-N 435.380 5.855 30 10 IKEE FC(F)(F)c1cccc(C=Nn2cnnc2SCc2ccc(Br)cc2)c1 2326605906 BWQDGIRLWMCJDV-UHFFFAOYSA-N 441.276 5.234 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc(Cl)c(Cl)c1 2326701771 XEDPQAFFFFRWKP-UHFFFAOYSA-N 446.190 6.375 30 10 IKEE C=C(C)CSc1nnc(Cc2cccc3ccccc23)n1N=Cc1cccc(OC)c1O 2327749701 MLAZDTAWWQVQAQ-UHFFFAOYSA-N 444.560 5.287 30 10 IKEE COc1cccc(CCc2nnc(SCc3ccccc3)n2N=Cc2ccccc2)c1 2328640981 YMVYTAHHNMDFJC-UHFFFAOYSA-N 428.561 5.246 30 10 IKEE COc1ccccc1CCc1nnc(SCCc2ccccc2)n1N=Cc1cccs1 2328692699 VOFWFHDDTQQELZ-UHFFFAOYSA-N 448.617 5.350 30 10 IKEE Cc1cccc(CSc2nnc(CCCOc3ccccc3)n2N=Cc2ccco2)c1 2328724490 DHBZPKDTRRCQRR-UHFFFAOYSA-N 432.549 5.366 30 10 IKEE Fc1ccc(CSc2nnc(Cc3ccc(F)cc3)n2N=Cc2cccs2)cc1 2329811781 JJLPBMFOXKENDR-UHFFFAOYSA-N 426.517 5.383 30 10 IKEE CSc1nnc(CCc2ccccc2)n1N=Cc1ccc(OCc2ccc(C)cc2)cc1 2330153175 LUHYXBTZWUNUNH-UHFFFAOYSA-N 442.588 5.555 30 10 IKEE Cc1ccccc1CSc1nnc(CC2CCCCC2)n1N=Cc1ccc(O)cc1O 2330232841 MRICPNYJEJFSOX-UHFFFAOYSA-N 436.581 5.295 30 10 IKEE Cc1ccc(CSc2nnc(Cc3cccs3)n2N=Cc2ccc(F)cc2F)cc1 2330316643 UGGCPWSJHCPHQC-UHFFFAOYSA-N 440.544 5.692 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(SCc2ccccc2)nnc1[C@H]1CCCO1 2330954793 CCFJWVKBVXCFPB-HSZRJFAPSA-N 444.560 5.466 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2ccc(Cl)c(Cl)c2)nnc1[C@H]1CCCO1 2331002095 GXLHJMHLSLLDCF-LJQANCHMSA-N 447.391 5.919 30 10 IKEE Cc1cccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2[C@@H]2CCCO2)c1 2331008940 FOXSYMMVYDBBBR-IBGZPJMESA-N 430.936 5.405 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(OC)c(OC(C)=O)c(OC)c2)cc1OCCC 2331109352 LDRIKEXTBQNHTJ-UHFFFAOYSA-N 442.508 5.103 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)c1cccnc1 2331136518 RNTRAHDXQMCBKG-UHFFFAOYSA-N 428.271 5.512 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccc(C)c(C)c3)c(Cl)c2)c(C)c1 2331222365 KXASWPZTTBGHKR-UHFFFAOYSA-N 448.946 6.454 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3)cc2Cl)cc1 2331265817 DRRYIGMYEPDXTI-UHFFFAOYSA-N 434.919 6.091 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3)cc2OC)cc1 2331293448 MSSDGSYJTQNYFP-UHFFFAOYSA-N 428.528 6.000 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(C)c([N+](=O)[O-])c1 2331541494 TUFSQTGEUSCMEI-UHFFFAOYSA-N 435.407 5.166 30 10 IKEE Cc1cccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CCC2)c1 2331541754 NPUHDRSPPWADHE-UHFFFAOYSA-N 431.392 6.335 30 10 IKEE CC(C)CC(=O)Oc1ccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1[N+](=O)[O-] 2331595218 BJVGUUWJBSLZBC-UHFFFAOYSA-N 445.471 6.235 30 10 IKEE COc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)cc2)cc1 2331644652 MQMGFCJQMFWSLE-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE CC1(C)OB(c2ccc(CSc3ccc(Cl)cn3)cc2Br)OC1(C)C 2349806033 IFMWJGDHMNWINI-UHFFFAOYSA-N 440.599 5.089 30 10 IKEE Cc1cccc(NC(=O)N(Cc2ccccc2)CC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2352766868 AMUGSGKPWVYXFM-UHFFFAOYSA-N 436.405 5.374 30 10 IKEE CCCCCCC[C@H](NCCC)c1cc(Br)ccc1OCc1ccccc1 2361168864 PTVRQUUQVBHIOW-QHCPKHFHSA-N 432.446 7.429 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(Nc2cccc(Br)c2)[C@H]1C(F)(F)F 2370240397 LNIYQMRWWUXDJI-WMLDXEAASA-N 448.283 5.085 30 10 IKEE CCCCCCCCCCCCCCO[P@@](=O)(O)O[C@H](CC(=O)O)C[N+](C)(C)C 14277743 HSNUXANXVHLGQT-HXUWFJFHSA-O 438.566 5.371 30 10 IKEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2 14477045 TVVZGBKXERMXOP-VTJXTGGHSA-N 435.376 5.284 30 10 IKEE C=CCOc1ccc(/C=C2\CC/C(=C\c3ccc(OCC=C)c(OC)c3)C2=O)cc1OC 33448159 OGZFDKQGRDZPER-YHARCJFQSA-N 432.516 5.663 30 10 IKEE C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1cc(OC)cc(OC)c1 35847686 HIUYFQRTQFBYKP-UHFFFAOYSA-N 436.364 5.747 30 10 IKEE C=CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc(F)cc2)c1 39824453 CLFUQLBAJCPBME-XMMPIXPASA-N 441.458 5.242 30 10 IKEE C=CCN1C(=O)/C(=C(\C)c2ccc(N)cc2)S/C1=N/c1nc(-c2ccccc2)cs1 39865932 SQUNTQLLUGWLLD-PKPRBZMYSA-N 432.574 5.572 30 10 IKEE C=CCNC(=O)c1c(Nc2ccc(C)cc2)sc2c(-c3ccccc3)c(C#N)c(N)nc12 39895270 ZZJSMEAYVJRQRW-UHFFFAOYSA-N 439.544 5.385 30 10 IKEE Cc1c(OCc2ccccc2F)ccc2c1O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 41435291 PGCPCSBFTRYRFL-PKAZHMFMSA-N 436.482 6.996 30 10 IKEE CC(C)(C)c1ccc(Oc2ccc(C(F)(F)F)cc2/N=C/c2cccc(Cl)c2O)cc1 59463029 PBLNQXZAVUZEPX-IPPBACCNSA-N 447.884 7.905 30 10 IKEE C=C(C)COc1ccc(NCC(=O)Nc2ccccc2OCCCc2ccccc2)cc1 66062138 LPHRNZHAMHRNRL-UHFFFAOYSA-N 430.548 5.704 30 10 IKEE C=CCn1nc(SCc2ccc3ccccc3c2)nc1-c1ccc(Br)cc1 72261840 OYGLEIUNZRBQTI-UHFFFAOYSA-N 436.378 6.339 30 10 IKEE CCCCCCCOc1ccc(NCC(=O)Nc2cccc(C(=O)NC(C)C)c2)cc1 100077680 FZFOGGDUQTYWPE-UHFFFAOYSA-N 425.573 5.225 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)CNc1ccc(O[C@H](C)CC)cc1 100092392 CZHINYQIAJQLAJ-RUZDIDTESA-N 446.720 7.873 30 10 IKEE CCCCCCCOc1cccc(NC(=O)CNc2cccc(NC(=O)C(C)C)c2)c1 100096665 VKKZOQLHPOWYAV-UHFFFAOYSA-N 425.573 5.681 30 10 IKEE CCCCCCCOc1cccc(NC(=O)CNc2cccc(NC(=O)C(C)(C)C)c2)c1 100101892 IKRKZRBULBFOAO-UHFFFAOYSA-N 439.600 6.071 30 10 IKEE O=C1/C(=C/c2cc(Cl)ccc2O)S/C(=N/N=C\c2cccs2)N1Cc1ccco1 101916923 UXRQJSPKXQFUSA-OWPNISLFSA-N 443.937 5.207 30 10 IKEE CCCCCCCCn1c([C@H](C)NC(=O)Cc2ccc(Cl)cc2)nc2ccccc21 102132419 DLMZHSOTQXQAKP-IBGZPJMESA-N 426.004 6.470 30 10 IKEE CCCCCCCCn1c(CCCCCNC(=O)C2CCCCC2)nc2ccccc21 102164904 KHAUUBOMDTUDBE-UHFFFAOYSA-N 425.661 6.806 30 10 IKEE Cc1cc(N2C(=O)C(=O)/C(=C(\O)c3ccc(F)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)no1 102715230 FFAXGXFFLXBTER-AGGMBTAESA-N 434.467 5.046 30 10 IKEE Cc1cccc(C)c1NC(=O)/C(=N\Nc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 103925376 XFEOMXUJUXWTTC-OFWBYEQRSA-N 439.437 5.612 30 10 IKEE C/C(=C/C(=O)c1ccc(Br)cc1)Nc1ccc(I)cc1 105414657 MPDYIQRNHXIEKV-KHPPLWFESA-N 442.094 5.252 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C)cc2)c1 169934770 FGTRKYQXVNTFQG-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccs1 169987019 USRUCMOLKBXWGS-LJQANCHMSA-N 427.884 5.632 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1cccs1)c1cc2ccccc2o1 169989462 IFFACBRYRTYVCP-JOCHJYFZSA-N 447.487 5.454 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)C)cc2)[C@@H]1c1ccncc1 170016826 WVSXHMKFDZLVFC-HSZRJFAPSA-N 446.478 5.136 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccccc2OC)=C(N(C)Cc2ccccc2)C1=O 170060083 RJIQHKZCBDSJKX-UHFFFAOYSA-N 434.580 5.268 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cccc(OCC(C)C)c3)=C(O)C(=O)N2C2CCCC2)cc1 170116926 SBGCTRZDRNFANM-DEOSSOPVSA-N 449.547 5.251 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@H]1c1cccc(C)c1 170146686 YJTUOHKMCHGOFI-OAQYLSRUSA-N 427.928 5.426 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@@H]2c2cccs2)c1 170156837 RXXJCIBYUNXGOR-HSZRJFAPSA-N 447.556 5.882 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@@H]1c1cccs1 170164916 UXBLULHWTNAJDI-NRFANRHFSA-N 427.566 5.567 30 10 IKEE Cc1ccc(-c2csc(C3=C(N)N(c4ccc(N5CCC(C)CC5)cc4)CC3=O)n2)cc1 170179939 GCGLTFZSCVHZMT-UHFFFAOYSA-N 444.604 5.071 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccncc2)c1 170202776 FSSRZKMUQUMMGG-RUZDIDTESA-N 434.495 5.635 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccccc2)c(C)c1 170228079 ZJAYTCGISDKWRR-SANMLTNESA-N 437.539 5.965 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1ccccc1)c1ccc(Cl)cc1 170229166 UEPNTEIIERYRSP-FQEVSTJZSA-N 425.818 5.401 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccc2F)cc1C 170248614 VRCOACBPDFPFNW-DEOSSOPVSA-N 445.490 5.624 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC(C)C)cc3)[C@@H]2c2ccco2)cc1 170284675 ZODMYWYXCMWIPE-QHCPKHFHSA-N 447.487 5.106 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2sccc2C)cc1OC 170315153 GOZYYJWUNFNRKX-OAQYLSRUSA-N 449.528 5.165 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)c1 170344343 GQGCWIWWCRDAKC-LJQANCHMSA-N 443.446 5.858 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]2c2ccc(N(C)C)cc2)c1 170443090 QFLDHJJEWLTCPL-DEOSSOPVSA-N 436.552 5.057 30 10 IKEE CC1(C)CCC(N(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C(=O)OC(C)(C)C)CC1 200414727 HYHYIIYZXJMWDT-UHFFFAOYSA-N 443.437 5.692 30 10 IKEE CCOc1ccc2c(c1)O/C(=C/c1ccc(OC(=O)/C=C\c3ccccc3)c(OC)c1)C2=O 210088817 RAZFZLJHUSYZKE-AXAAGOIBSA-N 442.467 5.329 30 10 IKEE Fc1ccccc1C=Nn1c(-c2ccc(Cl)s2)csc1=Nc1ccccc1Cl 254383778 LCHLSKZUDRUXPJ-UHFFFAOYSA-N 448.375 6.839 30 10 IKEE CC[C@H]1CSC(=Nc2ccccc2)N1C(=O)c1ccccc1OCc1ccccc1C 254442367 IIGXAWNSQXYINQ-QFIPXVFZSA-N 430.573 6.229 30 10 IKEE COc1ccc(C=NNc2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1 254622018 BIRITQJQAYKAJL-UHFFFAOYSA-N 427.485 5.524 30 10 IKEE CC(C)(C)c1ccc(S(=O)(=O)NN=Cc2cn(Cc3ccccc3)c3ccccc23)cc1 254825113 AZHAMPANSBXJOC-UHFFFAOYSA-N 445.588 5.300 30 10 IKEE CCOc1ccc2nc(SCC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)sc2c1 261526891 OUIDRWSIIXKRIW-LBPRGKRZSA-N 443.619 5.484 30 10 IKEE C#CCN(C[C@@H](NCCC)c1c(Cl)cccc1Br)C(=O)OC(C)(C)C 407164124 OTNGXTQUORSJLS-MRXNPFEDSA-N 429.786 5.014 30 10 IKEE C=C(COCCC)[C@H](NCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 407413156 NDDDYTMNLUPANK-SFHVURJKSA-N 427.383 5.430 30 10 IKEE CCOc1cc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(C)cc2)ccc1OC 526516783 RQVIMEPVEWSHSV-RUZDIDTESA-N 440.499 5.331 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(C)o2)cc1OCC 526521715 NCJTZUTZMKLISI-XMMPIXPASA-N 444.487 5.314 30 10 IKEE CCN(Cc1ccccc1)c1ccc(/C=N\n2cnnc2SCc2ccc(F)cc2)cc1 526801336 KYYDNKPQIXXOIY-NTFVMDSBSA-N 445.567 5.618 30 10 IKEE CCCOc1ccc(/C=N\n2cnnc2SCc2ccccc2F)cc1Br 526802461 HXSFSQROCSMLCS-KSEXSDGBSA-N 449.349 5.143 30 10 IKEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1cccc(OC(C)C)c1 526813919 FALCZFUNQHRZNS-KSEXSDGBSA-N 435.380 5.855 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1c(F)cccc1Cl 526818880 FMBICKQRODAMKX-MXAYSNPKSA-N 430.980 6.205 30 10 IKEE CCc1nnc(SCc2cccc(C(=O)OC)c2)n1/N=C\c1ccc(Cl)c(Cl)c1 526825685 BSXUFYWMFQVZIX-KSEXSDGBSA-N 449.363 5.108 30 10 IKEE CCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1ccc(OC(C)C)cc1 526828921 ODYJORUTEMPPEV-UCQKPKSFSA-N 439.541 5.101 30 10 IKEE Cc1ccc(Nc2nc(C)cc(Nc3ccc(NC(=O)c4cccc(C#N)c4)cc3)n2)cc1 585428895 JDENMGWYMLUQRN-UHFFFAOYSA-N 434.503 5.705 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(NC(=O)Nc3cc(C)cc(C)c3)CC2)c1 586090085 CWLUSFZSOPVMCP-UHFFFAOYSA-N 448.611 5.567 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@H](C#N)c1ccc(Br)cc1Cl 698423136 GDOONCSJCAUNNJ-SFHVURJKSA-N 435.749 6.104 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccc(C)c(Br)c1 698475981 CFVAVOQZOPGCII-SFHVURJKSA-N 431.330 5.773 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 698890957 JWBWOVCBEOOWGT-CYFREDJKSA-N 429.561 5.418 30 10 IKEE CCCCCCCC[C@H](N)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 708573009 QVXBBIHDKDEKPN-VQTJNVASSA-N 441.454 5.963 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@@H]2C[C@@H](CN2Cc2ccccc2)C1 716622510 VVAGRECJMSICHC-VHSZZVNMSA-N 447.579 5.384 30 10 IKEE O=C(CSc1nc2ccc(N=Cc3ccc(F)cc3)cc2s1)Nc1ccccc1F 1084632426 MQINYOSRTJNRNX-UHFFFAOYSA-N 439.512 6.056 30 10 IKEE C=C1CC[C@@H]2[C@@](C)(CCC[C@@]2(C)C(=O)OC)[C@@H]1CCc1ccoc1CN1CCC(C)CC1 1565535186 ZGHHYFNDDMTZKI-HWGYZFRUSA-N 441.656 6.396 30 10 IKEE O=C1/C(=C\c2cccc3ccccc23)SC(=Nc2ccncc2Cl)N1c1ccccc1 1772734387 CWOIIWVSRVWRAV-KOXZJICBSA-N 441.943 6.697 30 10 IKEE Cc1nnc(N=C2S/C(=C/c3c(F)cccc3Cl)C(=O)N2c2ccccc2)s1 1772736095 HDEXHOYVTRLETH-BTWTVLLVSA-N 430.917 5.448 30 10 IKEE C=CCOc1ccc(/C=C2\SC(=Nc3nnc(C)s3)N(c3ccccc3)C2=O)cc1 1772739331 SUBAOJJBPKJFKA-NPPZMEKISA-N 434.546 5.220 30 10 IKEE C=CCN1C(=O)/C(=C/c2cccc(OC)c2)SC1=Nc1nc(-c2ccccc2)cs1 1772739812 VRTSULBSGWYHNU-VASVRFFCSA-N 433.558 5.609 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc(OCC(=O)Nc3ccc(Cl)cc3Cl)c2)c1 1860133729 XOEPYLLHTLCDBE-UHFFFAOYSA-N 440.286 5.135 30 10 IKEE CCCCCCCCCNC(=O)COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1 1860255796 VUWGSFVCTDEIHW-UHFFFAOYSA-N 449.591 5.938 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccccc2)c1)C(=O)N1CCC(Cc2ccccc2)CC1 1860637064 FIIAPJPILWHCFN-CCEZHUSRSA-N 439.555 5.329 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])[C@@H](C)CC 1861132916 BNVWSAPONYDQRS-WTYGBKJTSA-N 445.604 5.396 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccc(C)c2)cc1 1862389206 AKSKPBWUOAGFCI-DEOSSOPVSA-N 445.584 6.178 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(F)c2)cc1 1862391359 YQNWMEPGCDIRGI-QHCPKHFHSA-N 433.479 5.540 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CCCCC2)cc1 1862431780 OQCPSWPHJNFVGB-NRFANRHFSA-N 425.912 5.260 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(C(C)C)cc1 1862434229 UXJJBUCTOIWRBA-QFIPXVFZSA-N 441.955 5.468 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CCCC2)cc1 1862437104 JNIJBZKEKKILHT-JOCHJYFZSA-N 439.939 5.650 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(OCC)c(OC)c1 1862439254 KAVQQNAKDFSVQI-NRFANRHFSA-N 443.927 5.126 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@@H]1c1ccc(F)cc1)c1cccc(Cl)c1 1862442433 JGBHGECLQBNCJJ-HSZRJFAPSA-N 449.909 5.690 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cc(Cl)cc(Cl)c1 1862444310 WFYADUDXBPBLAP-ADLMAVQZSA-N 438.738 6.024 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862477228 JSRUGFCKTLQCPH-RUZDIDTESA-N 436.511 5.563 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1C(=O)O 1862477719 PODLXCAESGOOJB-QHCPKHFHSA-N 449.547 5.632 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862481328 CIYFCYNGLNWDLH-FQEVSTJZSA-N 431.454 5.782 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2cc(Cl)cc(Cl)c2)cc1 1862481442 AHUYLRLKSQBUMX-QUCCMNQESA-N 446.330 5.059 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc(N(C)C)cc2)cc1 1862532049 APOWZFZLSSZHLI-XYURVEJXSA-N 446.591 5.472 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2ccc(Cl)cc2)cc1 1862590955 CGWXZZPLJJFHQM-QFIPXVFZSA-N 433.891 5.133 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(CC)cc1 1862615694 MCQIHUVGTHFCKR-DEOSSOPVSA-N 433.592 6.315 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862622038 DOJGHZMMVOCWAN-FQEVSTJZSA-N 446.374 6.278 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCC2=CCCCC2)c1 1862625766 NFACVIBNWBJXKT-DEOSSOPVSA-N 445.515 5.193 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccc(F)cc1)c1cccc2ccccc12 1862649964 KOLZLFSWWPPJPH-RUZDIDTESA-N 443.518 6.280 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CC(C)C)c1 1862655479 JLTVMHLHZHRBMN-VWLOTQADSA-N 443.543 5.863 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C(C)C)cc3)[C@@H]2c2ccccc2)c1 1862660283 JREIDWYJQGBKCD-VWLOTQADSA-N 425.528 5.897 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc2cc[nH]c2c1 1862660650 LQBAVWTUHLNXBK-DEOSSOPVSA-N 446.547 5.295 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCc2ccccc2)cc1 1862674243 UDVVOGLIAKGJOI-VWLOTQADSA-N 443.518 5.599 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 1862690308 MIDUVGAJPTXVMX-FQEVSTJZSA-N 445.437 5.235 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(CC)cc1 1862748860 KYBJDWCODCXVHM-JOCHJYFZSA-N 436.508 5.316 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccc(Cl)c1 1862751371 LIFVUVSRWZTJCC-IBGZPJMESA-N 428.872 5.017 30 10 IKEE Cc1cccc(NC2=C(c3cccc4ccccc34)C(=O)N(c3ccc(C#N)cc3)C2=O)c1C 1862849621 XRPLHTDOLMMFJR-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE COc1ccccc1C1=C(Nc2ccccc2C#N)C(=O)N(c2ccc3ccccc3c2)C1=O 1863054874 LRCQMXBNYTWBCV-UHFFFAOYSA-N 445.478 5.117 30 10 IKEE CCCCCCN1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(OCCC)cc2)C1=O 1863345950 YYHNMJRBDYJDPO-UHFFFAOYSA-N 431.536 5.119 30 10 IKEE C=CCNC1=C(c2ccc(Cl)c(Cl)c2)C(=O)N([C@@H](C)c2ccc(CC)cc2)C1=O 1863641479 AISPWJUFKCSRQV-AWEZNQCLSA-N 429.347 5.173 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1nc2c(OC)cccc2s1 1866032242 HOQSNZZBSKOALH-UHFFFAOYSA-N 446.701 8.505 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)[C@@H](c1ccc(OC)cc1)C1CCCC1)c1ccccc1 1868884068 CNYPCDNQRIZQDX-FTJBHMTQSA-N 446.591 5.027 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3ccccc3[C@@H]2C(C)C)nc(-c2ccc(F)cc2)n1 1869270579 BLKXGNGICSXFNQ-MHZLTWQESA-N 442.582 6.221 30 10 IKEE CCCCCCCCCCn1cc(OCc2ccccc2F)c(=O)cc1CN(C)CCO 1870344305 LGNKQZQIGVSRTK-UHFFFAOYSA-N 446.607 5.131 30 10 IKEE CCCCCCCOc1cn(CCCN(C)C)c(CNc2ccccc2C(C)C)cc1=O 1870837784 YCTABHGOUYZMKA-UHFFFAOYSA-N 441.660 5.885 30 10 IKEE CCCCCCCOc1cn(CCCCCO)c(CNc2cccc(Cl)c2)cc1=O 1870838082 NHCVMJIWSBBNTF-UHFFFAOYSA-N 435.008 5.626 30 10 IKEE CCCCCCCCn1cc(OCC2CCCCC2)c(=O)cc1CNc1ccccc1C 1870913435 WFNPPKUAPJVGSE-UHFFFAOYSA-N 438.656 7.088 30 10 IKEE C=CCn1cc(OCCOc2cccc(C)c2)c(=O)cc1CNc1ccc(C(C)C)cc1 1871209700 NLUAYFRFYNRXQI-UHFFFAOYSA-N 432.564 5.536 30 10 IKEE Cc1c(OC(=O)/C=C/c2ccc(F)cc2)ccc2c1O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 1871366098 RRELUQKZODYZFB-ZSFYTNPESA-N 445.402 5.277 30 10 IKEE Cc1cc(OC(=O)c2cccc(Oc3ccccc3)c2)cc2c1C(=O)/C(=C/c1cccnc1)O2 1871378863 CYNQVTUUKAAICI-QFEZKATASA-N 449.462 6.018 30 10 IKEE C=CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2sccc2C)C3=O)cc1 1871389968 XDCGWYPBOGYVOT-STZFKDTASA-N 432.497 5.765 30 10 IKEE COc1ccc2c(c1)c(/C=C1\Oc3c(CN4CCC[C@H](C)C4)c(O)cc(C)c3C1=O)cn2C 1871396590 NYNSLFMSBLMLKB-PDHRUYIUSA-N 446.547 5.049 30 10 IKEE C[C@H](Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O)C(=O)Nc1ccccc1C(F)(F)F 1871401625 IWVNYJNSAWRCML-GHOUAXAESA-N 443.377 5.321 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc(OCCCOc3ccc(Cl)cc3)c2C)C1=O 1871405752 OVMRXDAMEZMYJP-STZFKDTASA-N 440.948 6.482 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871411529 IWELFGUUQDXMBZ-GMPVXANTSA-N 447.462 5.165 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OCCOc3cccc4ccccc34)ccc2C1=O 1871415621 LPWSKWXPTWRCSL-PKAZHMFMSA-N 438.479 5.922 30 10 IKEE C[C@H](NC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O)c1ccccc1 1871424534 MPGXRFPYBHERGT-YOBACFSGSA-N 433.891 5.212 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1ccc2c(c1C)O/C(=C\c1cccc(C)c1)C2=O 1871424593 ORZSQNUDFVEBBW-IWIPYMOSSA-N 441.527 5.808 30 10 IKEE CCc1ccc(NC(=O)[C@@H](CC)Oc2cc(C)c3c(c2)O/C(=C\c2cccs2)C3=O)cc1 1871424988 CGPRNHMFURJXFA-FYYJVHHASA-N 447.556 6.031 30 10 IKEE Cc1c(OCCC(=O)OCCC(C)C)ccc2c1O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871429287 OLWPNQGCXWVFAS-JLPGSUDCSA-N 436.548 6.093 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871450678 MVOJWTJOVIDSGV-YMKHCOABSA-N 445.490 5.973 30 10 IKEE COc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2sccc2C)C3=O)cc1 1871456955 GZEZMLQYMZVKTB-NDENLUEZSA-N 435.501 5.007 30 10 IKEE Cc1cc(C)c(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)c(C)c1 1871459143 SIEFUUFOZAGKBU-FMCGGJTJSA-N 445.490 5.693 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(F)cc2)[nH]c(N2C[C@H](C)C[C@@H](C)C2)n1 1871515922 LNLDQGVVAXJTPX-RTBURBONSA-N 428.600 5.431 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(Cl)cc1)[C@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1871892035 NKCIOZFMGJAILG-VGSWGCGISA-N 449.016 5.187 30 10 IKEE Cc1ccc(C)c(OCC(=O)[C@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)c1C 1872760188 IVFDFUWTIWTWCM-QFIPXVFZSA-N 426.541 6.144 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccc(Cl)cc3)n2)cc1C 1872765406 ODZDYDWTHYUKCB-KDOFPFPSSA-N 426.925 5.424 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@H](C#N)C(=O)c2cc(Cl)ccc2Cl)n1 1872781868 ZAOCUQCVNHHYFU-MRXNPFEDSA-N 431.344 6.232 30 10 IKEE CCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1 1872782985 OYLNXBAIWATAAL-MRXNPFEDSA-N 442.924 5.369 30 10 IKEE COc1cc(OC)c(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)cc3)n2)cc1Cl 1872783168 TXAWVPITPFPWBA-AWEZNQCLSA-N 433.316 5.624 30 10 IKEE CC(C)COC(=O)c1ccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)cc2)cc1 1872869811 TVWOVSUOWOOIEY-UHFFFAOYSA-N 428.488 5.202 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@@H]2CCCC[C@@H]2C)=C(c2c(C)cc(C)cc2C)C1=O 1873121510 GEVITLDMEPMFKD-NZQKXSOJSA-N 438.656 6.221 30 10 IKEE C=CCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1/N=C/c1cccs1 1874194138 ZHKWIVNTYNJQAJ-OEAKJJBVSA-N 447.029 5.782 30 10 IKEE CSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1cn(C)c2ccccc12 1874205445 BREGJXHDFZPZCA-AUEPDCJTSA-N 446.363 5.260 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccc(O)cc1 1874213097 VJLZAWHQOVWESX-ZVHZXABRSA-N 442.972 5.199 30 10 IKEE C=CCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc(OCC)cc1 1874279288 DBTKRDKLKANTMH-LFVJCYFKSA-N 426.973 5.276 30 10 IKEE COc1ccccc1CCc1nnc(SCc2ccccc2)n1/N=C/c1ccc(C)cc1 1874313747 LNTBTKRROVISRT-OVVQPSECSA-N 442.588 5.555 30 10 IKEE CCCSc1nnc(CCc2ccccc2OC)n1/N=C/c1ccc(Cl)c(Cl)c1 1874313824 PIHVFKQFBAWVSE-ZVHZXABRSA-N 449.407 5.763 30 10 IKEE Cc1ccc(OCc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccncc2)cc1C 1874319229 GVKCBTRRBDDNHY-MZJWZYIUSA-N 447.539 5.183 30 10 IKEE C=CCSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1ccccc1OC(C)C 1874321599 ZQQAUYQVYDRZPM-MFKUBSTISA-N 436.581 5.421 30 10 IKEE C=CCSc1nnc(CCc2ccccc2)n1/N=C/c1c(OC)ccc2ccccc12 1874403464 BGWXQPRWYKZBOD-NLRVBDNBSA-N 428.561 5.385 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)(C)C)n2/N=C/c2c[nH]c3ccccc23)c1 1874438647 LJURMXBZLDLFJY-JFLMPSFJSA-N 431.609 6.139 30 10 IKEE COc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2cccc(Cl)c2)c1 1874440841 WHSJIWSTVIMYQN-ZVHZXABRSA-N 428.989 5.703 30 10 IKEE Fc1ccccc1CSc1nnc([C@@H]2CCCO2)n1/N=C/c1cccc2ccccc12 1874445444 FEUAMUHFODRQHW-WGLQLPMYSA-N 432.524 5.596 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2)nnc1C(C)(C)C 1874485079 CZPIGQNIGULXAK-AFUMVMLFSA-N 443.016 6.191 30 10 IKEE COc1ccc(OC)c(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C(C)(C)C)c1 1874485993 WKOVLKXMWJHQOM-ZMOGYAJESA-N 444.988 5.421 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(OCC)cc1 1874509719 RBZOZPJZQWNHTA-ZMOGYAJESA-N 432.952 5.596 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc(C(C)C)cc1 1874511037 HTLBDGXXWJIXAK-DHRITJCHSA-N 447.435 6.835 30 10 IKEE CCCOc1cccc(/C=N/n2c(C)nnc2SCc2ccc(Cl)c(Cl)c2)c1 1874535167 AYUSSJQKXXUNJF-FSJBWODESA-N 435.380 5.857 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)OCC(C)C)cc1 1874579837 LBEJFRKXBLSQBD-YRNVUSSQSA-N 430.928 5.603 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCc3cccc(C)c3)ccc3ccccc23)c(OC)c1 1874588018 PYMUDXMYWINDPG-CCEZHUSRSA-N 438.523 6.641 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OCc1c(Cl)cccc1Cl 1874595961 CQHVKSPRFHOCAH-DHZHZOJOSA-N 441.354 7.094 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3cccc(C)c3C)c2)c(C)c1C 1874598500 PEDIZKGJBREUSE-WYMLVPIESA-N 443.543 5.842 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc(Cl)c2)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 1874604065 TVYYZVMKMCBGGC-XYOKQWHBSA-N 447.918 6.602 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)c(C)c1 1874617724 QJHHMTRBIJGIAL-DHZHZOJOSA-N 437.898 6.010 30 10 IKEE C=CCOc1c(Br)cc(/C=C/C(=O)c2cc(C)ccc2OC)cc1OCC 1874619746 QLHVGSJUHCXMPN-CMDGGOBGSA-N 431.326 5.626 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1F 1874621850 XYYBCQFIVFRYKK-VMPITWQZSA-N 431.290 6.616 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(OC)c1OCc1ccc(C)cc1 1874623243 SMROOPBNQUKZKB-ISLYRVAYSA-N 448.562 7.360 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OCCc2ccccc2)c(Cl)c1 1874624435 DBTDVCYXKNMKFF-JLHYYAGUSA-N 448.990 7.164 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc(OC)c1OCc1ccccc1 1874637506 CWXIVGKHVLDMJC-DHZHZOJOSA-N 443.326 6.486 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2cccc(/C=C/C(=O)c3cccc(Cl)c3)c2)c1 1874699201 JNFPZOHZVIWGJO-BUHFOSPRSA-N 434.919 6.309 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3C)c([N+](=O)[O-])c2)c1 1875102174 OHVVTAQEFJUXTO-JLHYYAGUSA-N 445.471 5.346 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OC(=O)C1CCCC1 1875104517 AZUQADLRNXTTSB-JXMROGBWSA-N 449.330 6.002 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC3CCCCC3)c([N+](=O)[O-])c2)cc1C 1875108508 ROUQMJOHVPPHAK-DHZHZOJOSA-N 437.492 5.684 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)cc1 1875112780 OLUKDZWFTQAUCF-NYYWCZLTSA-N 430.544 6.103 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2[N+](=O)[O-])c1 1875126010 LMGKDOFGZHUFCF-VZUCSPMQSA-N 437.835 5.372 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)cc3)c(OCC)c2)cc1 1875130232 BUIBZVBCHKSAKO-VIZOYTHASA-N 448.490 5.667 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)cc3F)c(Cl)c2)c1 1875139597 PRJFIQNPZNZPST-WEVVVXLNSA-N 440.873 6.279 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1 1875161742 FPUUHTYTJAUESB-ONNFQVAWSA-N 428.818 5.742 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)ccc1OC(=O)CCCSC 1875181516 KCLUVKAGPLNWGM-VQHVLOKHSA-N 448.968 5.610 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)Cc1ccccc1F 1875183627 LDCCJZYEWNUXPX-ZRDIBKRKSA-N 446.518 6.194 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3cccc(F)c3)c([N+](=O)[O-])c2)cc1C 1875188064 MWNNMPUGEDAICU-VQHVLOKHSA-N 449.434 5.475 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)ccc1OC(=O)CC(C)C 1875192391 JJLZWCFIQIKZIH-JLHYYAGUSA-N 432.516 6.095 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)cc1F 1877010551 AJXXAYPEXWQJEN-MSOLQXFVSA-N 429.374 5.488 30 10 IKEE C#CC[C@@H](C)C[C@H](NCCC)c1cc(I)ccc1Br 1887488029 FEEFNNZYXNPLEW-WBMJQRKESA-N 434.159 5.144 30 10 IKEE C[Si](C)(C)C#Cc1cc(N)cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c1 1887520790 LNVJPRGRNHJYLK-UHFFFAOYSA-N 440.619 5.536 30 10 IKEE O=C(Nc1ccc(SC(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1C(F)(F)F 1889870675 GKJMXEMKTUKXHE-UHFFFAOYSA-N 433.295 6.588 30 10 IKEE Cc1nn(C)c(Br)c1[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 1891093371 PXZFWOVVUVKEEX-OAHLLOKOSA-N 425.371 5.016 30 10 IKEE O=C(NCC#CCN1CCc2ccccc2C1)c1cc(Cl)c(Cl)c(Cl)c1Cl 1891902434 ANILSCIORKZUCU-UHFFFAOYSA-N 442.173 5.092 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@H]1CN(C(=O)OC(C)(C)C)CCC12CCC2 1922084945 DQYVFRWQLDOUQO-XZOQPEGZSA-N 428.617 5.165 30 10 IKEE CCCN(C(=O)OC(C)(C)C)[C@]1(C#N)[C@@H](CNC(=O)OC(C)(C)C)CCCC12CCC2 1924834917 XMKRBLNLIVQDOV-HOYKHHGWSA-N 435.609 5.391 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(C(=O)OC(C)(C)C)[C@@H]3CCC[C@H]32)cc1 1926547065 WWYQAHXWZPFJLV-UMEGOILYSA-N 441.572 5.418 30 10 IKEE 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 1944417934 IOXZSQALANNUTC-RGZWJVDOSA-N 433.593 5.095 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 1944693967 DILLWRVIPZGCGG-QUCCMNQESA-N 429.561 5.276 30 10 IKEE CC#CCC[C@@H](NCCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997458653 OCZAMFWLCCRIEU-BVAGGSTKSA-N 428.617 5.002 30 10 IKEE CC1(C)CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)[C@@H](OCc2ccccc2)C1 2043774171 DJZNGGUTBIKQKN-WNCULLNHSA-N 440.628 6.614 30 10 IKEE Cc1c(Cl)cc(C[C@@]2(C=O)CCCN(C(=O)OC(C)(C)C)C2)cc1Br 2048495887 FBWKDRQQECFOEJ-IBGZPJMESA-N 430.770 5.170 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCCC)c2sccc2Br)C1 2062975945 XYGFNRWPUIKAAX-MRXNPFEDSA-N 429.424 5.412 30 10 IKEE N#C[C@@H](NCc1cccs1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071260468 IHIBQRDCXWUFQT-RUZDIDTESA-N 440.568 6.261 30 10 IKEE C#CC[C@H](C[C@H](N)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C1CC1 2076080363 WMONKYBIXWSVHW-VPUSJEBWSA-N 425.572 6.284 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@]1(C)CCCN1C(=O)OC(C)(C)C 2076989215 SNQBQPDKIIKCRI-DVECYGJZSA-N 445.560 5.118 30 10 IKEE CC1(c2nn([C@@H](c3ccc(C4CC4)cc3)C(C)(C)C)c(Br)c2/C=N/O)CC1 2079062893 XTXIPZNOLFLCTL-BBMHEYIBSA-N 430.390 6.018 30 10 IKEE Cc1ccc([C@@H](C(C)C)n2nc(C3CC3)c(/C=N/O)c2I)cc1C 2079128133 ZQQHGZVHGXXLFU-VMHWHBCQSA-N 437.325 5.035 30 10 IKEE Cc1cc(C)c([C@@H](C2CCC2)n2nc(C3CCC3)c(C=NO)c2Br)c(C)c1 2080031196 YPHYZIYXVLFAQG-OAQYLSRUSA-N 430.390 6.036 30 10 IKEE CC(C)Oc1ccc([C@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C2(C)CC2)cc1 2080057130 FCEVROYBYGNJBO-IBGZPJMESA-N 446.389 5.682 30 10 IKEE C=CCCCCCC[C@@H](N)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2085844089 JIDIPNUYEXEJOO-XMMPIXPASA-N 443.676 5.790 30 10 IKEE CCCCCCC[C@H](NCC)c1ccc(Br)cc1I 2142288826 MSWQFIBZHQYTEV-INIZCTEOSA-N 438.191 6.065 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1ccc2c(c1)CCC2 2152741039 YWRAHQHSZJCYKR-FQEVSTJZSA-N 427.342 5.944 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2c(F)cc(Br)cc2F)cc1 2170702366 BZHVPGAUTGKTHF-KRWDZBQOSA-N 437.284 6.042 30 10 IKEE CCCN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(C#N)c(Br)c1F 2174813411 VVBIHZOGIIEROQ-HNNXBMFYSA-N 440.357 5.076 30 10 IKEE CCCCN(C[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(Br)cc1C#N 2174815439 SYSWPYJKNCRRTC-GOSISDBHSA-N 436.394 5.327 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCNC2(CCCC2)C1 2194578910 GOBHUANZLDYZDC-OAQYLSRUSA-N 434.378 5.149 30 10 IKEE CC1(C)CCC(CNc2ccc(Br)cc2C#N)(NC(=O)OC(C)(C)C)CC1 2201480359 MMKCBTGFAILZLW-UHFFFAOYSA-N 436.394 5.596 30 10 IKEE C=CCCCCC[C@H](N)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229118611 OTURSGJRIQNSEC-OALUTQOASA-N 425.411 5.349 30 10 IKEE CCCCCCCC[C@H](N)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237423819 DZYLUFGLMXWQBO-VQTJNVASSA-N 441.454 5.963 30 10 IKEE C#CCN(C[C@H](NCCC)c1cccc(Cl)c1Br)C(=O)OC(C)(C)C 2259396552 IDVQYRZIFOTTKY-INIZCTEOSA-N 429.786 5.014 30 10 IKEE CCCN[C@@H](CC#CC1CCCC1)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2261099662 GHBPBTWMLHJWCN-LOSJGSFVSA-N 442.644 5.439 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)c1cccc(Br)c1Cl 2275129896 AZJXRTBDJGQLBW-FQEVSTJZSA-N 439.733 5.408 30 10 IKEE CN[C@@H](C#Cc1ccccc1Br)c1c(C)cccc1NC(=O)OC(C)(C)C 2283408657 LSZGGVHHUSVFPI-SFHVURJKSA-N 429.358 5.417 30 10 IKEE C=C(C)CCCC[C@@H](NC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2287381127 WBWZLDVCWUHXEN-UXHICEINSA-N 439.438 5.609 30 10 IKEE C=CCN1C(=O)C(=Cc2cn(CCCOc3ccc(C)cc3)c3ccccc23)SC1=S 2293152758 IRRXSMCJLXUQLK-UHFFFAOYSA-N 448.613 5.806 30 10 IKEE CCN[C@@H](C#Cc1cccc(Br)c1)C[C@H](C)C(C)(C)NC(=O)OC(C)(C)C 2296229505 KGCISGVDVJDWPL-LPHOPBHVSA-N 437.422 5.108 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC 2296310424 JLXUZXQVQIGAHB-FFZOFVMBSA-N 437.422 5.108 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)CCCCCN(C)C(=O)OC(C)(C)C 2296310535 KWEIGMROEHHQSZ-FQEVSTJZSA-N 437.422 5.206 30 10 IKEE COCc1ccc(CN(C(=O)OC(C)(C)C)[C@@]2(C#N)CC[C@H]2OCc2ccccc2)s1 2303027671 LRQCNLCABATYEO-ZJSXRUAMSA-N 442.581 5.273 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2304232765 UKHGUNCYSLQMNJ-MOPGFXCFSA-N 433.593 5.238 30 10 IKEE CCCN[C@@H](C#CC1CC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2315840398 NOMNTHMIMLJMHF-MHZLTWQESA-N 425.572 6.299 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2319198593 BAPMKSNHSRMQEU-YVWKXTFCSA-N 447.551 5.543 30 10 IKEE CCCSc1nnc(C2CC2)n1N=Cc1ccc(OCc2ccc(C)cc2)c(OC)c1 2320868381 KTIVVCLYQNAKKA-UHFFFAOYSA-N 436.581 5.436 30 10 IKEE COc1cccc(C=Nn2c(S)nnc2[C@@H](C)c2ccccc2)c1OCc1ccccc1 2321962048 CLYZCWOVSMCHKH-SFHVURJKSA-N 444.560 5.188 30 10 IKEE CCCCC[C@H](CC)N1COc2c(cc3c(c2C)OC(=Cc2ccc4c(c2)OCO4)C3=O)C1 2322356676 AAHBPPKJTHZNDZ-FQEVSTJZSA-N 449.547 5.851 30 10 IKEE Cc1ccc(CCN2COc3c(cc4c(c3C)OC(=Cc3cccc(C)c3)C4=O)C2)cc1 2322436539 JODKVKGCGBSUGX-UHFFFAOYSA-N 425.528 5.623 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1cccc(Cl)c1)c1ccc2c(c1)OCCO2 2322671565 LQOSZUZYNGVYNV-UHFFFAOYSA-N 441.310 6.240 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(F)cc2)c1OCC(=O)NC1CCCCC1 2322748236 DYJGMRHTJYRUNO-UHFFFAOYSA-N 445.918 5.212 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cc(Cl)cc(OC)c1OCCCO 2322774117 AGFOSOVOQCRFKW-UHFFFAOYSA-N 432.944 5.312 30 10 IKEE CCCCCCOc1c(OC)cc(C=NNc2ccc(OC)c(Cl)c2)cc1[N+](=O)[O-] 2322926490 BDQUWMCKOAPSCX-UHFFFAOYSA-N 435.908 5.671 30 10 IKEE Cc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc2c1C(=O)C(=Cc1ccc(C(C)C)cc1)O2 2323149761 OYFVERVNTDYLRT-UHFFFAOYSA-N 443.455 5.862 30 10 IKEE Cc1ccc(OCC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1 2323201518 GHLIMMKIZIRZRE-UHFFFAOYSA-N 442.511 6.027 30 10 IKEE CCc1ccc(NC(=O)COc2cc(C=CC(=O)c3ccc(C)c(C)c3)ccc2OC)cc1 2323280140 VIUBRNOZNNSQAX-UHFFFAOYSA-N 443.543 5.788 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cccc(OCC(=O)NC2CCCCC2)c1 2323289244 RHLOQNBRKPPLTE-UHFFFAOYSA-N 441.955 5.381 30 10 IKEE O=C(Cc1cc(Cl)ccc1Cl)Oc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O 2323403960 DRDCFQSLWHPNKF-UHFFFAOYSA-N 443.257 5.897 30 10 IKEE COc1ccc(OC)c(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2cccc(C)c2)C3=O)c1 2323486512 DMCNSXGUENGOPA-UHFFFAOYSA-N 442.467 5.247 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2)c(Br)c1)c1ccccc1Cl 2323603550 QOOVHAIBAJVQSV-UHFFFAOYSA-N 427.725 6.578 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)C=Cc1ccc(OCC)cc1 2323813436 MGLONQGTGHKHAV-RUZDIDTESA-N 444.660 6.030 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(OC(=O)c3ccc(OC(C)C)cc3)c2C)C1=O 2323814060 JHKJGFBFDLPWEI-UHFFFAOYSA-N 434.513 5.988 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(OC)c(OCc3cccc(C)c3)c(OC)c2)cc1 2323831214 DRNONIBVQCGLPO-UHFFFAOYSA-N 432.516 5.886 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Cl)c1OCc1cccc(C)c1 2323858664 ZBJJDLPRBZVGGY-UHFFFAOYSA-N 434.963 7.139 30 10 IKEE COc1ccc(C=C2Oc3c(CN(C)C4CCCCC4)c(O)cc(C)c3C2=O)cc1OC 2324073639 NBJJDDUYOGJEJG-UHFFFAOYSA-N 437.536 5.099 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Cl)c1OCCc1ccccc1 2324244994 MKOKGPFVWGUFQM-UHFFFAOYSA-N 442.889 6.535 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(OC)c(OC)c3)n2)cc1 2324404193 GDIWTPYQRJQZQU-NRFANRHFSA-N 446.572 6.060 30 10 IKEE CCOc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc1OC 2324787841 KMGRYNKNIDHQBI-FQEVSTJZSA-N 446.572 6.032 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc5ccccc5c4)ccc3C2=O)cc1 2324959045 PUWFAXAGFQEMEO-UHFFFAOYSA-N 435.479 5.782 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OCCC(=O)Nc4ccccc4)c3C)C2=O)c1 2325480275 YOAQMRDXCKQKJN-UHFFFAOYSA-N 429.472 5.027 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)cc1OC 2325703804 PNDKKAHRQSRUSP-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccc(F)c(C)c3)c2)cc1 2325733390 GIPGRTHYORWOMD-UHFFFAOYSA-N 448.490 5.586 30 10 IKEE COc1cc(Br)c(C=CC(=O)c2ccc(C)c(C)c2)cc1OC(=O)C1CCC1 2325760280 YCZGMKBFJQQKSQ-UHFFFAOYSA-N 443.337 5.676 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc(Br)c1O 2325797202 GZFXWRNGSGZTFN-UHFFFAOYSA-N 425.706 5.420 30 10 IKEE CSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1cc(C)ccc1O 2325882774 DCYMTMBUCFYPOJ-UHFFFAOYSA-N 432.549 5.061 30 10 IKEE C=C(C)CSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1cccc(F)c1 2326388835 XUDCKLIJKKYEDS-UHFFFAOYSA-N 438.572 5.596 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccc(OC)c(O)c1Cl 2326389278 LTWWDZNONUAWFE-UHFFFAOYSA-N 444.988 5.471 30 10 IKEE Cc1cccc(OCCCc2nnc(SCc3ccccc3)n2N=Cc2ccncc2)c1 2327007288 BVGBVETVAJHTDC-UHFFFAOYSA-N 443.576 5.168 30 10 IKEE C=C(C)CSc1nnc(COc2cc(F)ccc2F)n1N=Cc1ccc(OCC)cc1 2327459999 SQVODQVMATYGGS-UHFFFAOYSA-N 444.507 5.084 30 10 IKEE CCCSc1nnc(CCc2ccccc2OC)n1N=Cc1ccc(C(C)(C)C)cc1 2328702569 CLMQAXQLFHWLPW-UHFFFAOYSA-N 436.625 5.754 30 10 IKEE Fc1ccccc1CSc1nnc(CC2CCCCC2)n1N=Cc1ccccc1Cl 2330272544 ITTZQWHXYRFLOE-UHFFFAOYSA-N 442.991 6.368 30 10 IKEE COc1cc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2C)ccc1O 2330459086 JDEOCZUMZPZADC-UHFFFAOYSA-N 444.560 5.066 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1 2330621424 KQENTBAMUGMSKG-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE Fc1ccc(CSc2nnc(C3CCCC3)n2N=Cc2c(Cl)cccc2Cl)cc1 2331032925 BQRIABGHVWJDOL-UHFFFAOYSA-N 449.382 6.556 30 10 IKEE COc1ccccc1C=Nn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1C1CCCC1 2331049770 SCWHEEIUWBICAE-UHFFFAOYSA-N 437.525 5.027 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)cc1)c1cccc(Cl)c1 2331117707 ABMZEQAPZNDBMK-FCHUYYIVSA-N 437.322 6.599 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1Cl 2331123117 FSQZCGUHVFVQHE-UHFFFAOYSA-N 433.375 7.546 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2cccc(F)c2)nnc1C(F)(F)F 2331123703 IUSFVOHADJSKGI-UHFFFAOYSA-N 438.450 5.399 30 10 IKEE Cc1ccc(C)c(OCC(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2Cl)c1C 2331165854 LQZYTHCCSRGLCY-UHFFFAOYSA-N 434.919 6.146 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)cc3)c(OC)c2)cc1 2331311493 NDAUUDPJIYZVFI-UHFFFAOYSA-N 448.490 5.667 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1N=Cc1cccc(C)c1 2331325281 FLIUVKHTPKLLQI-UHFFFAOYSA-N 435.597 5.159 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C(C)(C)C)cc1 2331417947 CQTZRPNGYVYODN-UHFFFAOYSA-N 445.007 6.666 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1cccc(C)c1 2331424695 GKOQPVOKHABHDP-UHFFFAOYSA-N 442.555 6.807 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)c1ccccc1 2331499991 MJTZYOLZBGSBHW-UHFFFAOYSA-N 448.946 6.977 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(F)c(F)c1 2331535368 RMHOKISEAHHNMY-UHFFFAOYSA-N 426.390 5.618 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1OCC 2331653741 FPCDHHKRCRXXNA-UHFFFAOYSA-N 436.592 7.091 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)CCc1ccccc1 2331709620 QVSZFJANDXZZEN-UHFFFAOYSA-N 428.528 6.136 30 10 IKEE CCCCCCC[C@@H](OCC(=O)O)c1sc(Cl)cc1I 2366712907 TWTRTAOMLDHWAR-LLVKDONJSA-N 430.735 5.509 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)c2c(C)c(C)c(Br)c(C)c2C)C1 2372284085 DRDYDIHMUZYQHA-UHFFFAOYSA-N 436.390 5.727 30 10 IKEE Cc1ccc(/N=C2\S[C@H](CC(=O)c3ccc(C)c(C)c3)C(=O)N2c2ccc(C)cc2)cc1 15055126 UHQXDRQJZQQMKP-KQWPUEFFSA-N 442.584 6.329 30 10 IKEE C=CCn1c(SCc2nc(-c3cccc(Cl)c3)no2)nc2cc(Cl)ccc2c1=O 17674072 IHDPKVVIXSTBTE-UHFFFAOYSA-N 445.331 5.232 30 10 IKEE CCCOc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(Cl)c(Cl)c1)C2 21232670 CCHFRRHCXLEFME-RDJZCZTQSA-N 444.358 5.787 30 10 IKEE COc1ccc([C@H]2C3=C(C[C@H](c4ccc(Cl)cc4)CC3=O)Nc3onc(C)c32)cc1O 33324920 FUGDOBUCZVYHSV-OYHNWAKOSA-N 436.895 5.309 30 10 IKEE CCCCCCn1c(O)c(/N=N/c2ccccc2C(=O)c2ccccc2)c(C)c(C#N)c1=O 39871573 KGVQAJAFIYATDR-ZQHSETAFSA-N 442.519 5.961 30 10 IKEE Cc1cc(OC(=O)c2cc3ccccc3o2)cc2c1C(=O)/C(=C/c1ccc(N(C)C)cc1)O2 41352634 AIFQGILJGOODSQ-QRVIBDJDSA-N 439.467 5.643 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)CSc2n[nH]c(N/N=C(/C)c3ccc(F)cc3)n2)cc1 59021675 APMCCRQVBMBDOZ-KIMCTCTNSA-N 440.548 5.024 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1COc1nc2ccccc2n1Cc1ccccc1C#N 95086642 JOKDIEGPFGPQAG-OAQYLSRUSA-N 446.551 5.125 30 10 IKEE CC(C)CN(CC(C)C)C[C@H](O)Cn1cc(/C=C\C(=O)c2cccs2)c2ccccc21 96498777 QTMRIMFELBWHMJ-GJCOWUBNSA-N 438.637 5.574 30 10 IKEE COc1ccc(-c2cc(/C(C)=N/OCc3ccc(C#N)cc3)c(C)n2-c2cccc(C)c2)cc1 97632615 UOGCMUXRJULHDZ-NJZRLIGZSA-N 449.554 6.582 30 10 IKEE COc1cc(/C=N/Nc2ccc(C(=O)O)cn2)ccc1OCc1c(Cl)cccc1Cl 169877890 KYHGTHAQHBRTEY-KIBLKLHPSA-N 446.290 5.120 30 10 IKEE CCN1C(=S)N[C@@H](c2cccc(OCc3ccc(Cl)cc3)c2)C2=C1CCCC2=O 169932900 PTCMRJIGYZCDKN-QFIPXVFZSA-N 426.969 5.177 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2cccs2)ccc1F 169984694 SWDGHTGLQOIQQK-HXUWFJFHSA-N 441.911 5.940 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1cccs1)c1c[nH]c2ccccc12 169987658 ASGTXABLYGQDHD-HXUWFJFHSA-N 436.439 5.291 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2ccccn2)c1 169994440 GEFYMMPSHDRFGX-JOCHJYFZSA-N 432.907 5.443 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc(OCC)c2)cc1 170039362 SOUDHPHBJKGDBE-DEOSSOPVSA-N 449.547 5.395 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccc(F)cc2)cc1 170061750 ZHGRYRGUXDXVJO-QFIPXVFZSA-N 446.434 5.079 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2cccc(O)c2)cc1 170082564 VSLCVSAOSVBWOL-QFIPXVFZSA-N 435.426 5.016 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccc(C)c2)c(C)c1 170141946 CNRNPOWEIYJLGX-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1cccs1)c1ccc2ccccc2c1 170154412 ZZVTXDZFPOQCDE-OAQYLSRUSA-N 431.538 5.741 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1cccnc1)c1ccc2ccccc2c1 170192035 KOVFXXXOFLGUNR-QHCPKHFHSA-N 442.421 5.296 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccccc2)cc1C 170223254 HIXZVJFRFWSZLM-QHCPKHFHSA-N 449.453 5.373 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1ccccc1)c1ccc(Cl)c(Cl)c1 170224636 JGGOOYVPYHIAFM-HXUWFJFHSA-N 440.282 5.482 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccccc2)c1 170228515 MJGVFGKLULHITH-JOCHJYFZSA-N 444.874 5.003 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1ccccc1)c1c[nH]c2ccccc12 170228993 GKZYSMNBHGQMQC-JOCHJYFZSA-N 430.410 5.229 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2ccccc2)c1 170229413 TZTGUWASJXFKHT-HSZRJFAPSA-N 449.453 5.535 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2ccccc2)cc1C 170229626 RSMXORHYTBASKT-HSZRJFAPSA-N 449.453 5.455 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1ccc(F)cc1)c1cc2ccccc2o1 170239206 KQZGJCZSWGSNGI-QFIPXVFZSA-N 429.403 5.060 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@H]1c1ccc(F)cc1 170240338 UMHDYWAQLAGOSA-XMMPIXPASA-N 443.474 5.242 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccc(F)cc2)cc1C 170240380 XYJJZDHOEMDERS-XMMPIXPASA-N 445.490 5.542 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1ccccc1F 170253309 JETFFDKBVTVMSD-HSZRJFAPSA-N 437.555 6.200 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1Cc1ccncc1 170317172 ZXPGGRPLQDWZQG-QFIPXVFZSA-N 444.556 5.109 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1C1CCCC1 170319550 CLSIFKJBNSHTRL-FQEVSTJZSA-N 425.550 5.365 30 10 IKEE Cc1cccc([C@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 170462635 ZPJXIZSHBFNUHQ-SFHVURJKSA-N 426.925 5.383 30 10 IKEE CCCc1c(-c2cc(I)ccc2Br)sc(C#N)c1N 233398459 WMPYQPCXPUPGPI-UHFFFAOYSA-N 447.139 5.189 30 10 IKEE N#Cc1c(N=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)sc2c1CCC2 252612217 IQISPTBTJSQPJU-UHFFFAOYSA-N 427.356 6.745 30 10 IKEE C=CCn1c(S[C@H](C)C(=O)Nc2c(Cl)cccc2Cl)nnc1-c1ccccc1 253494531 XWAJIPYDUVQXTR-CYBMUJFWSA-N 433.364 5.557 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1C12CC3CC(CC(C3)C1)C2 253565077 HGZXXGOPKQBHRD-UHFFFAOYSA-N 436.625 5.280 30 10 IKEE O=C(c1ccccc1N=C(Cl)c1ccc(Br)cc1)C(Cl)(Cl)Cl 256229900 QGSVGWJAXVYOTD-UHFFFAOYSA-N 439.951 6.319 30 10 IKEE O=P(C(=Nc1ccc(Cl)cc1)N1CCCCC1)(N1CCCCC1)N1CCCCC1 263621595 WTPPPBXALHACPX-UHFFFAOYSA-N 436.968 5.978 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccs2)cc1OC 526605189 NQBRDOYBUVSXDB-JOCHJYFZSA-N 432.501 5.084 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccc(O)c(OCC)c1 526807056 FDIOZYIQQDSOCI-QRVIBDJDSA-N 430.961 5.163 30 10 IKEE CCCOc1ccc(/C=N\n2c(CC)nnc2SCc2cccc(C)c2)cc1Cl 526808333 RYILLQOXKVQECE-OYKKKHCWSA-N 428.989 5.766 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCCC[C@H]1C(C)(C)C 698498461 TUOJXGQKKFAOKN-AVRDEDQJSA-N 435.406 6.689 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)cc1 698891016 WSPUJDJTPPCVCC-KOSHJBKYSA-N 429.561 5.418 30 10 IKEE Cc1ccc2nc(-c3ccc(N=C/C(Br)=C/c4ccccc4)cc3)sc2c1 1084340311 OUXKJATXHJXASF-SIYVUMQMSA-N 433.374 7.410 30 10 IKEE CC[C@H](C)N(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)c(F)c1 1859922130 MTEPNYSHRAGJAX-JTQLQIEISA-N 425.319 6.448 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)c1ccc(OC)c(OC)c1)[C@@H](C)CC 1861066023 JRTQGIQCRKQXJB-WMZHIEFXSA-N 434.621 5.105 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccccc1F 1862411797 PIRAABDUZCOLDR-JLCFBVMHSA-N 437.417 5.443 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CCCCC2)cc1 1862414117 RXCVBIOEOFOLIX-QFIPXVFZSA-N 425.475 5.438 30 10 IKEE COc1cc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C(C)C)ccc1OC(C)C 1862453759 HEICQEJBOSCZFG-OAQYLSRUSA-N 443.927 5.123 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC(C)C)cc1OC 1862487594 FGCNQKUTFFGOJG-HSZRJFAPSA-N 437.536 5.027 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)c1 1862494764 PNMDLHSUDGSIAA-DEOSSOPVSA-N 449.591 5.604 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CC2)cc1 1862497990 XMAZUXQLFRDBBY-DEOSSOPVSA-N 433.548 5.613 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc3ccccc23)cc1 1862531631 RBXIHGHOAMTEQD-VWLOTQADSA-N 425.528 5.923 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@H]1c1ccc(Cl)cc1)c1cccc(O)c1 1862591675 LYGDZRMLUPEFCH-QFIPXVFZSA-N 439.939 5.737 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1cccc(OC)c1 1862591760 NANSTULBSFXKRQ-HSZRJFAPSA-N 437.536 5.340 30 10 IKEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccccc1 1862616563 UKXQNVMMWLXQRA-XMMPIXPASA-N 448.607 5.294 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccccn2)cc1 1862678674 UIIXPKVZKUZLPU-HSZRJFAPSA-N 444.506 5.297 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccccc2F)C1=O 1862918341 TZOMZKSIMMVKMD-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(C)ccc2OC)=C(c2ccc(C)cc2)C1=O 1863267139 FCQPFEGPXPMUOX-UHFFFAOYSA-N 434.580 5.865 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccccc2)=C(c2ccc(C)c(C)c2)C1=O 1863606517 GQFBOITXOVSPSH-UHFFFAOYSA-N 446.635 6.314 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(OC)cc2OC)C(=O)N([C@@H](C)CC)C1=O 1863751639 FPVSCLBFJTZLAR-IBGZPJMESA-N 444.616 5.313 30 10 IKEE CC(C)c1nc(Nc2ccccc2C#N)cc(N2CCC[C@@H]2Cc2ccc(Cl)cc2)n1 1868238141 LFANWNYXOCSAHJ-OAQYLSRUSA-N 431.971 6.080 30 10 IKEE C[C@H]1COCCN1c1cc(Nc2ccc(C#N)cc2)nc(-c2ccc(C(C)(C)C)cc2)n1 1868552618 IRYWTOJRGFIAQJ-SFHVURJKSA-N 427.552 5.281 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N(CCC)CCCC)nn1-c1cccc(Cl)c1 1870010836 INXJFKZVKFJQAM-UHFFFAOYSA-N 448.055 6.626 30 10 IKEE N#Cc1nnn(-c2cc(Cl)cc(Cl)c2)c1NC(=O)c1ccc(Cl)cc1Cl 1870147795 HRLKATNWVLWUHG-UHFFFAOYSA-N 427.078 5.005 30 10 IKEE CCn1cc(OCc2ccc(C)cc2)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870216918 LBZCOVUXYFUVDL-UHFFFAOYSA-N 433.577 5.240 30 10 IKEE CCCCCn1cc(OCCC(C)C)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870235640 MWVDYMYAEGQMNH-UHFFFAOYSA-N 441.641 5.948 30 10 IKEE C=CCn1cc(OCc2c(Cl)cccc2Cl)c(=O)cc1CN1C[C@@H](C)C[C@@H](C)C1 1870602170 QMPYSGQGLZCKFO-CALCHBBNSA-N 435.395 5.398 30 10 IKEE CCCCCCCCn1cc(OCc2cccc(C)c2)c(=O)cc1CN1CCCCCC1 1870621421 YORDFKMGLXROJN-UHFFFAOYSA-N 438.656 6.472 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2)c(=O)cc1CNc1cccc(OC)c1 1870898224 JTOFXDNWXZMBRE-UHFFFAOYSA-N 448.607 6.409 30 10 IKEE CCn1cc(/C=C2\Oc3c(ccc4c3CN(CCC(C)C)CO4)C2=O)c2cc(OC)ccc21 1871353462 QVVRBEKWGAVETM-ROTLSHHCSA-N 446.547 5.484 30 10 IKEE CCCCCCCCN1COc2c(cc3c(c2C)O/C(=C\c2ccc(OCC)cc2)C3=O)C1 1871355294 BZTUFKRDWXUNBP-XYGWBWBKSA-N 449.591 6.522 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN(Cc2cccc(C)c2)C3)C1=O 1871359600 RTGGGSKIHPKDAU-QFEZKATASA-N 441.527 5.670 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OC(=O)CCCOc3ccccc3)ccc2C1=O 1871371617 ZTNQIBIFGXTIKB-UQQQWYQISA-N 444.483 5.466 30 10 IKEE Cc1c(OC(=O)/C=C/c2cccs2)ccc2c1O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871381090 NRIFZKWDQJOJKD-BESOIZRISA-N 430.525 6.415 30 10 IKEE Cc1c(OC(=O)c2cccc(OC(C)C)c2)ccc2c1O/C(=C\c1ccccc1F)C2=O 1871388388 SSOIXFPZWREXEI-UCQKPKSFSA-N 432.447 5.757 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCCOc4ccccc4)cc(C)c3C2=O)c(OC)c1 1871397565 ZBLSGMVCZNDCMJ-OYKKKHCWSA-N 432.472 5.086 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(ccc(OCc4ccc(C#N)cc4)c3C)C2=O)cc1 1871417102 BOBOOJNFXSKANE-QQXSKIMKSA-N 438.527 5.908 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OCc4cc(C)c(C)cc4C)ccc3C2=O)cc1 1871418070 VGTZCZFIPHMLCA-NTFVMDSBSA-N 441.571 6.653 30 10 IKEE Cc1c(OCCC(=O)Nc2ccccc2)ccc2c1O/C(=C\C=C\c1ccccc1)C2=O 1871447512 WOIFJVWONINYGI-GXWRHTCTSA-N 425.484 5.575 30 10 IKEE CCCCCCCCCCN=c1nc(N(C)CCCC)[nH]c(=Nc2cccc(F)c2)[nH]1 1871546317 PBTOYWKWTGLOAM-UHFFFAOYSA-N 430.616 5.387 30 10 IKEE N#C[C@H](C(=O)CCCOc1ccccc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872763251 HWVCRADICQRFSJ-MRXNPFEDSA-N 441.896 5.407 30 10 IKEE N#C[C@@H](C(=O)c1cccc(Oc2ccccc2)c1)c1nc(-c2cccc(Cl)c2)cs1 1872767370 YDKQOGOVFWLIGX-NRFANRHFSA-N 430.916 6.746 30 10 IKEE COc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c(C(C)(C)C)c1 1872770221 NKHHLPQZQZWKJK-LJQANCHMSA-N 434.561 5.680 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(Cl)cc3Cl)n2)cc1F 1872775637 WFVCOGZMTKUJDG-VFQAQYNWSA-N 447.318 6.154 30 10 IKEE C=CCN1C(=O)C(Nc2cc(Cl)cc(Cl)c2)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873276488 JWOFGPIOLJUJAZ-UHFFFAOYSA-N 449.337 6.038 30 10 IKEE CCCCCCCCCCNc1ncnc2c1ccc(=O)n2-c1cccc(Cl)c1C 1873541667 WRZVENZSIPGKPD-UHFFFAOYSA-N 426.992 6.295 30 10 IKEE C=CCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccncc1 1874193815 JFPOZOVQHRDHLS-MFKUBSTISA-N 441.988 5.115 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccc(OC)cc1 1874231009 NWXSWDOTLSAKAD-YDZHTSKRSA-N 430.961 5.212 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc(OC)cc1 1874232021 NEVUEWMTBIZEIV-WPWMEQJKSA-N 442.588 5.776 30 10 IKEE Cc1cccc(CSc2nnc(CC34CC5CC(CC(C5)C3)C4)n2/N=C/c2ccc[nH]2)c1 1874242554 MDAMSKZRTPHSLW-LQKURTRISA-N 445.636 5.848 30 10 IKEE Fc1ccccc1CSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccco1 1874266753 MWQFFWHGMLLJGU-WYMPLXKRSA-N 442.903 5.417 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2cccc(O)c2)c(C)c1 1874327496 QQUPPMJMLREEQB-CVKSISIWSA-N 444.560 5.354 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1cccc(O)c1 1874336163 FFOFMJBZOPEFOV-CVKSISIWSA-N 448.979 5.711 30 10 IKEE Oc1ccccc1/C=N/n1c(Cc2ccc(Cl)cc2)nnc1SCCc1ccccc1 1874342407 OBHXOXPLRKCDGI-YZSQISJMSA-N 448.979 5.445 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3C)n2/N=C/c2ccccc2)cc1 1874359846 BPPORXUJHWAGFM-OVVQPSECSA-N 426.589 5.855 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2[C@@H](C)c2ccccc2)c1 1874394543 OXQBSZQVQSWZEO-FQNOVECQSA-N 430.552 6.052 30 10 IKEE C=C(C)CSc1nnc(-c2cccs2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874422483 OKKRKPRPPQWMNI-MFKUBSTISA-N 446.601 6.136 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874428083 QWNOAPYXZXBQCV-WPWMEQJKSA-N 440.572 6.075 30 10 IKEE Oc1ccc(Cl)cc1/C=N/n1c(SCc2cccc(Cl)c2)nnc1[C@@H]1CCCO1 1874450461 BXVVPDKNDPKMDW-RIDKEVFESA-N 449.363 5.317 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C(C)(C)C)c1OC 1874484198 KFHGNLROQWVIKH-ZMOGYAJESA-N 444.988 5.421 30 10 IKEE CCOc1cc(/C=N/n2c(CC(C)C)nnc2SC)ccc1OCc1ccc(C)cc1 1874486359 NOBHZGFBQSPLDE-MFKUBSTISA-N 438.597 5.367 30 10 IKEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3cc(C)ccc3C)nnc2C2CCC2)c1 1874493622 WFGZBFSEXUUSOE-AFUMVMLFSA-N 433.581 5.084 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2ccc(C(C)C)cc2)c1 1874512175 ZSPDKHQHEOOGCM-AFUMVMLFSA-N 435.597 5.446 30 10 IKEE O=[N+]([O-])c1cccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C2CC2)c1 1874523073 FFBACZVOOVRRRH-LSHDLFTRSA-N 448.335 5.545 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2cccc3ccccc23)cc1C 1874574076 SVQWSCWYGKIXAQ-JLHYYAGUSA-N 442.942 7.285 30 10 IKEE CCCNC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(C(C)(C)C)cc1 1874581692 AWYUYGGFNXZURY-FOCLMDBBSA-N 429.560 5.938 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1OCC(=O)Nc1ccccc1F 1874594550 QJAYAVKABUYCRB-UXBLZVDNSA-N 441.405 5.026 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(CC)cc3)cc2)cc1 1874606260 FIQYUIWXQXJBPK-DEDYPNTBSA-N 441.571 6.505 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(OC)c(OCC)c(OC)c2)cc1OCCC 1874612881 QJUHVZLJSXLVLU-PKNBQFBNSA-N 428.525 5.576 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(F)c(C)c3)cc2OC)cc1 1874620108 JOQQWKNQUYGUAC-NTUHNPAUSA-N 447.506 5.619 30 10 IKEE Cc1ccccc1CCC(=O)Oc1cccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)c1 1874706098 PCMXCFXRBLXDFA-FMIVXFBMSA-N 428.484 5.201 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OC(=O)c1c(F)cccc1Cl 1874713920 UQENCGYKNXDITK-DHZHZOJOSA-N 438.882 6.220 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(F)c(F)c2)CSc2nnc(C3CC3)n21 1874842549 HSDHGBNPEQEGIO-IBGZPJMESA-N 434.556 5.496 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1Br)c1ccccc1 1875121019 VSYOHIFFXFYDAA-UXBLZVDNSA-N 443.243 5.843 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)c1ccc(C)cc1 1875122308 XHYDNNDNAVURMO-SDNWHVSQSA-N 446.930 6.501 30 10 IKEE O=C(COc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1Br 1875127859 BMUAGFVIOYGPPJ-ACCUITESSA-N 437.289 5.330 30 10 IKEE C[C@@H](C(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1)c1ccccc1 1875135349 LWLJIWMBVKGMTB-SCZPIIQISA-N 425.311 6.599 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1Br 1875143260 QWSFNKUCHFUQPC-CSKARUKUSA-N 431.326 5.758 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 1875148997 SQTJCRBQFOQZAQ-CXUHLZMHSA-N 429.472 6.008 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 1875155718 QQSOBMMRGJEIJP-QLKAYGNNSA-N 433.435 5.973 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(OC)cc2OC)cc1OCC 1875177077 ZIGPOJOOUXVZNE-DHZHZOJOSA-N 432.900 5.358 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc3c(c2)OCO3)cc1 1875184570 GTXQQMFAIHBNEI-MDWZMJQESA-N 442.511 6.137 30 10 IKEE C=CCN(CC=C)C(=O)c1cc2c(NCc3ccccc3Cl)ncnc2n1CC(C)C 1875207771 FWFCGNWCABXDPT-UHFFFAOYSA-N 437.975 5.167 30 10 IKEE N#CC1(c2ccccc2)CCN(C(=O)Cc2cc(Cl)ccc2Oc2ccccc2)CC1 1892379970 FZMGFUPLCZPLQG-UHFFFAOYSA-N 430.935 5.759 30 10 IKEE CCCCCCCC[C@@H](NCC)c1c(Br)sc(Br)c1Cl 1923065341 BCTNEXNDKKZKCO-LLVKDONJSA-N 445.692 7.328 30 10 IKEE C=CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(Br)ccc1Br 1927790310 PZZSSMCHIHUEAZ-AWEZNQCLSA-N 430.140 5.199 30 10 IKEE C#Cc1ccc([C@H]2[C@H](C(=O)O)CCN2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 1952802378 XAKNHWNHRZTSBC-RSXGOPAZSA-N 437.495 5.065 30 10 IKEE C[C@@H](N(Cc1ccccc1)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl)C(C)(C)C 2004971588 SPZRQVVSAMXNAM-QGZVFWFLSA-N 428.813 5.475 30 10 IKEE CC1(C)CC=C(C(=O)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)CC1 2010778969 LFMMPDTXNFRKBV-AREMUKBSSA-N 427.585 5.536 30 10 IKEE CC(C)c1nn(-c2ccc(C(F)(F)F)c(F)n2)c(C(F)(F)F)c1C(=O)OC(C)(C)C 2079243440 VQNLUKZDNAYGHK-UHFFFAOYSA-N 441.347 5.523 30 10 IKEE Cc1nn([C@H](c2ccc(C(F)(F)F)c(F)c2)C2CCC2)c(Br)c1C=NO 2079951852 ZEUCTHPYNWEFIX-HNNXBMFYSA-N 434.231 5.310 30 10 IKEE CCc1nn([C@@H](c2ccc(C(F)(F)F)cc2)C2(C)CC2)c(Br)c1C=NO 2080048074 NIIKEQQLFWKKQD-HNNXBMFYSA-N 430.268 5.424 30 10 IKEE CC(C)Oc1ccc([C@H](C2CCC2)n2nc(C(C)(C)C)c(C=NO)c2Br)cc1 2080059454 ABZFFQKQFGSSDE-IBGZPJMESA-N 448.405 5.928 30 10 IKEE N#Cc1cnc2c(-c3ccc(C(F)(F)F)c(Cl)c3)c(C3CCCC3)nn2c1Cl 2081213329 CLHSIPIRLXORRT-UHFFFAOYSA-N 425.241 6.251 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1sc(C)cc1Br 2089744066 SHJXHZSXPUISBI-HNNXBMFYSA-N 437.359 5.834 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1cnn(C(F)F)c1 2120855398 ODVSSISRTPEIQM-AWEZNQCLSA-N 427.249 5.047 30 10 IKEE C=C(Cl)C[C@H](NCCC)c1cc(Br)c(OCC)c(Br)c1 2164215340 PTIYHEMZHPONTG-AWEZNQCLSA-N 425.592 5.794 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](Cc2cc(Br)ccc2F)NCCC)C1 2197754437 GKZJTAOKKRZTQU-GOSISDBHSA-N 441.385 5.112 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(F)c(Br)cc1F 2198173052 GZRHORHIMQXXKL-ZWKOTPCHSA-N 445.348 5.075 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 2213337866 WYLPZGQSMMKISS-LYXWCMDISA-N 435.609 5.341 30 10 IKEE C[C@H](CC(=O)C#Cc1ccccc1Br)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2235731427 PZLGRIWYRQOYTM-SJLPKXTDSA-N 434.374 5.043 30 10 IKEE CCCCCCCC[C@](C)(CO)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2240556084 LXHDVLSKCVJQPC-JOCHJYFZSA-N 442.438 6.692 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)cc(C(C)C)c1 2265993658 ZEFSEKFIWBQMLZ-MOPGFXCFSA-N 425.411 5.693 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](Nc2c(Br)cccc2C#N)C[C@H]1C(F)(F)F 2285241800 SLYWFFDQFCKZGR-JSGCOSHPSA-N 448.283 5.063 30 10 IKEE Cc1cc(C=C2SC(=S)NC2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 2293987291 YFYLWYGYFQGQBR-UHFFFAOYSA-N 445.569 5.034 30 10 IKEE CC=C1C(=O)[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCC(=O)OC)[C@@]2(C)CC[C@@H](O)C[C@@H]12 2294965066 SXDZXAFUWCERDJ-NKNLWPEVSA-N 430.629 5.331 30 10 IKEE O=C1C(=O)N(c2ccc(F)cc2)[C@H](c2ccc(F)cc2)C1=C(O)c1ccc(Cl)cc1 2296175652 BAABDVIXYBAOLD-HXUWFJFHSA-N 425.818 5.245 30 10 IKEE CCC[C@]1(C(=O)C#Cc2cccc(Br)c2)CCCCN1C(=O)OC(C)(C)C 2296221469 IVGCXOSMZSZPES-JOCHJYFZSA-N 434.374 5.330 30 10 IKEE COc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)cc1 2296340356 ZEPFUZRFCKHNMF-NRFANRHFSA-N 437.854 5.114 30 10 IKEE C[C@@H]1Oc2ccccc2C=C1C=C1Oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc2C1=O 2296535123 WIRILWPNQWSSRS-INIZCTEOSA-N 441.439 5.497 30 10 IKEE Cc1ccc(Cl)cc1NC=C1C(=O)c2sccc2N(Cc2ccccc2)S1(=O)=O 2296957070 KPCGRNADXADCIT-UHFFFAOYSA-N 444.965 5.196 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)SC1=S 2297295690 CKWHIXFPAVHHHX-UHFFFAOYSA-N 445.993 5.705 30 10 IKEE CCCCN1C(=O)C(=C2Sc3ccc(OC)cc3N2C)SC1=Nc1ccccc1 2297453617 WZCYQMKGKHOEPA-UHFFFAOYSA-N 425.579 5.469 30 10 IKEE COc1ccc(C=C2SC(=Nc3cccc(C)n3)N(c3ccccc3)C2=O)c(OC)c1 2314540139 JTYQLTVCFRYLGV-UHFFFAOYSA-N 431.517 5.216 30 10 IKEE SCCCCCCCOCc1cc(I)ccc1Br 2319153175 BQRUPAORDYWCJZ-UHFFFAOYSA-N 443.188 5.451 30 10 IKEE O=C1C(=Cc2ccccc2)Oc2c1ccc1c2CN(C2CCCCCCCCCCC2)CO1 2322166899 QNPIQENPIYPODI-UHFFFAOYSA-N 445.603 7.128 30 10 IKEE Cc1cccc(CN2COc3cc(C)c4c(c3C2)OC(=Cc2ccc(C(C)C)cc2)C4=O)c1 2322218098 KDLXUDNQRVXGSP-UHFFFAOYSA-N 439.555 6.395 30 10 IKEE COc1ccccc1C=C1Oc2c(cc3c(c2C)OCN(CCc2ccc(F)cc2)C3)C1=O 2322286754 XSFUPBZFDNMXKW-UHFFFAOYSA-N 445.490 5.154 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccccc2C=CC(=O)c2cccc([N+](=O)[O-])c2)c1 2322307711 QCIGMCVWIDBRJU-UHFFFAOYSA-N 430.460 5.125 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1c(F)cccc1Cl)C3=O)CN(Cc1cccs1)CO2 2322308428 PURZZFLZGXVKRG-UHFFFAOYSA-N 441.911 5.817 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OC(=O)c4ccccc4C)cc(C)c3C2=O)cc1 2322685636 YVSAHVFOVUFWAO-UHFFFAOYSA-N 441.527 5.985 30 10 IKEE CCCOC(=O)COc1c(C=CC(=O)c2cccc3ccccc23)cc(Cl)cc1OC 2322724539 SYOXZSYELNZEBP-UHFFFAOYSA-N 438.907 5.730 30 10 IKEE Cc1cc(OC(=O)c2ccccc2F)cc2c1C(=O)C(=Cc1c(F)cccc1Cl)O2 2322798999 VHEARUCPXDMLSV-UHFFFAOYSA-N 426.802 5.762 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OC(=O)c4cc(OC)cc(OC)c4)c3C)C2=O)cc1 2322806960 VBOFKWYVHRCGGN-UHFFFAOYSA-N 444.483 5.410 30 10 IKEE Cc1cc(OC(=O)c2cccnc2)cc2c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O2 2322810097 RZZAAZRGDWBNGQ-UHFFFAOYSA-N 426.255 5.532 30 10 IKEE O=C(C=Cc1ccc(OCc2c(F)cccc2Cl)cc1)c1ccc(Br)cc1 2323580901 ZJVVBBAPBPZOGK-UHFFFAOYSA-N 445.715 6.717 30 10 IKEE Cc1cc(OC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc2c1C(=O)C(=Cc1cccs1)O2 2323595514 DVBCWNVVYUSIAX-UHFFFAOYSA-N 433.441 5.200 30 10 IKEE Cc1c(OC(=O)C=Cc2ccccc2)ccc2c1OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2323746001 POXTVJHJIGIEIK-UHFFFAOYSA-N 427.412 5.138 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(OC)c1OCc1ccc(F)cc1 2323763030 DPWBIISIVDLPMY-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE COc1cc(C=NNc2nc(-c3ccc(C)c(C)c3)cs2)ccc1OCc1ccccc1 2323844204 JDTVYYOLEMIRRR-UHFFFAOYSA-N 443.572 6.461 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OCc1cccc2ccccc12 2323985036 JRRSXWQYMZZABG-UHFFFAOYSA-N 440.514 7.161 30 10 IKEE CCOc1c(Br)cc(C=CC(=O)c2ccc(F)cc2)cc1Br 2324184766 NKXXRIVCSIOPLV-UHFFFAOYSA-N 428.095 5.646 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3cc(OCCOc4ccccc4)ccc3C1=O)cn2C 2324220459 KQMWZJUROFTUMH-UHFFFAOYSA-N 441.483 5.261 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2cccc(OC)c2)C3=O)cc1 2324475300 TZVLMLOVUBIPHA-KRWDZBQOSA-N 443.499 5.280 30 10 IKEE Cc1cc(OCc2ccc(C(=O)OC(C)C)o2)cc2c1C(=O)C(=Cc1cccc(F)c1)O2 2325387746 MODBVDUYLBZSCM-UHFFFAOYSA-N 436.435 5.488 30 10 IKEE CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2C)C3=O)cc1 2325424764 ZZUAGASUHDAGTN-SFHVURJKSA-N 441.483 5.220 30 10 IKEE Clc1cccc(CSc2nnc(CCc3ccccc3)n2N=Cc2cccnc2)c1 2325467517 WYWZWVBNRRKJKE-UHFFFAOYSA-N 433.968 5.286 30 10 IKEE CCOc1ccc(C=CC(=O)C(=O)Nc2ccccc2Oc2ccccc2)cc1OCC 2325633217 VLHBYVCUTCJZPF-UHFFFAOYSA-N 431.488 5.497 30 10 IKEE O=C(C=Cc1cccc(OCc2ccccc2)c1)C(=O)Nc1ccccc1Br 2325669468 YCAKPKWGTYSNHR-UHFFFAOYSA-N 436.305 5.249 30 10 IKEE O=C(COCc1ccccc1)Oc1cccc(C=CC(=O)c2ccc3c(c2)CCCC3)c1 2325702185 DEYAMBWEOOLUTD-UHFFFAOYSA-N 426.512 5.584 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccc(F)c(C)c3)c2)cc1 2325704142 OCRBHUVIPGOKTQ-UHFFFAOYSA-N 432.491 5.749 30 10 IKEE COc1cccc(C(=O)C=Cc2cccc(OC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)c2)c1 2325707944 IWHJKRCDISVPSD-DHIUTWEWSA-N 432.903 5.954 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cccc(OC)c3)c2)cc1 2325710124 UUHAIZJXRCLHSE-UHFFFAOYSA-N 444.527 6.162 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC)c(OC(=O)CCc3ccccc3)c2)c1 2325743926 SLSQQVQAHHXQQN-UHFFFAOYSA-N 446.499 5.147 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)CCc3ccccc3C)c2)cc1F 2325748195 IROJTBPPANZATB-UHFFFAOYSA-N 448.490 5.586 30 10 IKEE CCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc(Cl)c(Cl)c1 2328051454 LUJKWIRVRVCVSO-UHFFFAOYSA-N 439.799 6.018 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccccc3)n2N=Cc2cccc(O)c2)CC1 2328158145 PTCPSWRVIKZCIS-UHFFFAOYSA-N 448.636 6.622 30 10 IKEE CCOc1ccc(Cc2nnc(SCC)n2N=Cc2ccc(Cl)cc2Cl)cc1 2328566247 AJNYOOMOXKDKNI-UHFFFAOYSA-N 435.380 5.569 30 10 IKEE Fc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2N=Cc2cccs2)cc1 2329863159 FQOIUMQZBGDOFT-UHFFFAOYSA-N 442.972 5.897 30 10 IKEE CC(C)c1ccc(C=Nn2c(Cc3cccs3)nnc2SCCc2ccccc2)cc1 2330398549 OKDIOXJRNHWINR-UHFFFAOYSA-N 446.645 6.271 30 10 IKEE C(=Nn1c(Cc2cccs2)nnc1SCc1cccc2ccccc12)c1ccccn1 2330422265 NEGDLPGJWGEFRA-UHFFFAOYSA-N 441.585 5.653 30 10 IKEE CCCCCNC(=S)NN=Cc1c(C(C)C)nc2c(Cl)cc(C(F)(F)F)cn12 2330458185 ZTERNISOYLPOAI-UHFFFAOYSA-N 433.931 5.118 30 10 IKEE C=CCSc1nnc([C@H]2CCCO2)n1N=Cc1ccc(N(CC)Cc2ccccc2)cc1 2330974464 CWKDTSFDAFCFCR-HSZRJFAPSA-N 447.608 5.316 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Br)c2)ccc1OC(=O)C1CCCC1 2331015894 JGKJZADTKIUALW-UHFFFAOYSA-N 429.310 5.449 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)CCc1ccccc1C 2331077961 YGBXUIOPYYHRTI-UHFFFAOYSA-N 444.527 5.837 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1)c1ccc(C(F)(F)F)cc1 2331084419 UKRWEQBSPJGEQC-UHFFFAOYSA-N 432.344 6.099 30 10 IKEE Cc1ccc(C=Nn2c(SCC(=O)N[C@@H](C)c3ccccc3)nnc2C2CCCC2)cc1 2331096894 DORTVWUCVBEXQQ-IBGZPJMESA-N 447.608 5.096 30 10 IKEE O=C(Cc1ccccc1Cl)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1Cl 2331142687 VREREKXUSXVGNM-UHFFFAOYSA-N 445.729 6.691 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccccc2)cc1[N+](=O)[O-] 2331170393 HNFIATDUDWJEGO-UHFFFAOYSA-N 431.444 5.038 30 10 IKEE CCCOc1ccccc1C=Nn1c(CCOC)nnc1SCc1ccc(Cl)cc1 2331303987 CMUREWPJSVQRSX-UHFFFAOYSA-N 444.988 5.084 30 10 IKEE CCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OCCC)cc2)cc1Br 2331305148 VDRLAVHOJUBSTB-UHFFFAOYSA-N 445.353 6.230 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3OC)cc2)cc1 2331351656 MRZKUWRONAZEKA-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE CCCOc1cccc(C=Nn2c(CC(C)C)nnc2SCc2ccccc2Cl)c1 2331456743 AAHWAWURUKEPOF-UHFFFAOYSA-N 443.016 6.093 30 10 IKEE COc1ccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C2CCC2)cc1 2331532297 CDXOJQZWKUYJAD-UHFFFAOYSA-N 447.391 6.036 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OC(=O)Cc2cc(C)ccc2C)cc1 2331741357 YGKBBHWIAZNQND-UHFFFAOYSA-N 448.946 6.318 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc([N+](=O)[O-])c1OC(=O)CC 2331757596 QGZAQTIDMHPCJV-UHFFFAOYSA-N 447.871 5.175 30 10 IKEE C=CC[C@@](C)(CC)[C@H](Cc1ccc(I)c(Br)c1)NC 2349778252 JPKULEXPWWGJOG-JKSUJKDBSA-N 436.175 5.177 30 10 IKEE COc1ccc(/N=C/c2cc(Cc3ccccc3)cc(Br)c2O)cc1Cl 1947850 GRIQPVYRLFLXAL-ZMOGYAJESA-N 430.729 6.158 30 10 IKEE C[C@H]1CC[C@]2(/N=C/c3ccccc3O)Oc3ccccc3[C@@H](/N=C/c3ccccc3O)[C@@H]2C1 16608753 OWYKDRRRWCDWCE-AJZBQUSDSA-N 440.543 5.902 30 10 IKEE CC(C)c1ccc([C@@H]2C3=C(C[C@H](c4cccs4)CC3=O)Nc3nc4ccccc4n32)cc1 19630347 MBDNFCLAAFUQDE-AFMDSPMNSA-N 439.584 6.637 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2O)cc1 21260289 WPLKTBRLWBDXOP-MYUZEXMDSA-N 426.516 5.770 30 10 IKEE COc1cc2c(cc1OC)[C@H](CC#N)N(C(=O)c1sc3cc(F)ccc3c1Cl)CC2 23450807 IZCHXABDGJZTPY-INIZCTEOSA-N 444.915 5.364 30 10 IKEE COc1cc(/C=C2\CCC/C(=C/c3cc(O)c(OC)c(Cl)c3)C2=O)cc(Cl)c1O 33457456 TYDRJXNCYVKYQC-GEMWTQJRSA-N 435.303 5.642 30 10 IKEE O=C(/C=C\c1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 35131161 UQROHMZONSZAES-JYRVWZFOSA-N 437.483 5.166 30 10 IKEE Cc1cc(Cl)cc2c1C(=O)/C(=C1/C(=O)c3ccc(Cl)c4c(Cl)ccc1c34)S2 38200966 PFLRZHFQASKZHJ-FXBPSFAMSA-N 431.727 7.004 30 10 IKEE Cc1ccc(CN2C(=O)/C(=C\c3nc(C#N)c(Nc4ccc(C)cc4)o3)SC2=S)cc1 39836579 NQENAIQKERMRRT-YBFXNURJSA-N 446.557 5.308 30 10 IKEE Cc1c(C(=O)Oc2cccnc2)oc2c1/C(=N/Nc1cccc(C(F)(F)F)c1)CCC2 40824086 CQZDMWHIHXPELD-OGLMXYFKSA-N 429.398 5.374 30 10 IKEE COc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN(Cc2ccc(F)cc2)C3)C1=O 41586939 DIHIKFZBENAPGS-FMCGGJTJSA-N 431.463 5.111 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(C(C)C)cc1)C3=O)CN(Cc1cccnc1)CO2 41587231 SEASOTYNSBXLCE-MYKKPKGFSA-N 426.516 5.482 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/C=C/c1ccccc1)O3)CN(CCc1cccs1)CO2 41649461 UKSOSLGNMMWJAA-GUMUIFIISA-N 429.541 5.624 30 10 IKEE CCCCCCCOc1cccc(NCCOc2ccc(C(C)(C)C)cc2C(C)(C)C)c1 100039116 OLBGIJWGRRCGEB-UHFFFAOYSA-N 439.684 8.122 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)/C(=C/c1ccccc1C)NC(C)=O 100137967 SYPRWRPONFEPCB-VYIQYICTSA-N 442.688 7.070 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)S/C1=N/c1nccs1 101128145 GZZVYTONUWXZFF-SYFXMVHNSA-N 440.506 5.244 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])S/C1=N/c1nc(-c2ccccc2)cs1 101130586 WTZQFGRASFRDMO-ZOVWXIRQSA-N 448.529 5.508 30 10 IKEE Cn1/c(=N\N=C2\C(=O)N(Cc3cccc4ccccc34)c3ccccc32)sc2ccccc21 103745022 LPDFGVSWJKRZOO-WSECFMCKSA-N 448.551 5.245 30 10 IKEE Cc1cccc(S/C(=N\S(=O)(=O)c2ccc(Br)cc2)c2ccccc2)c1 103924416 BOFUPXFEXBFWCH-XDOYNYLZSA-N 446.391 5.685 30 10 IKEE CCCCCCCCc1nnc(NC(=O)Cn2c(-c3cccs3)n[nH]c2=S)s1 104986812 FIXKLUGODXXVTM-UHFFFAOYSA-N 436.632 5.062 30 10 IKEE CCOc1ccccc1-c1nnc(S)n1/N=C\c1ccccc1OCc1ccc(C)cc1 169912153 IXWHLDLKSVMISA-QQXSKIMKSA-N 444.560 5.402 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2cccc(C)c2)c1 169965991 LGHZCTNRBOPSIY-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(O)c(OCC)c1 169974406 LSTXVJSATKVYDI-HSZRJFAPSA-N 437.536 5.176 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccc(OC(C)C)c2)s1 169979900 GZGNGQQMIIRUAB-NRFANRHFSA-N 448.544 5.330 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccc(F)cc2)c1 170061388 JDYJGACOYOYDLZ-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2ccccc2F)cc1 170069201 XIASUZKKJYFJMP-QHCPKHFHSA-N 447.462 5.016 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccc(C)o2)c1 170102842 LXKAYCNKRNBQIU-QHCPKHFHSA-N 433.479 5.165 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2sccc2C)c1 170105060 ZSUMEODYMDSWFY-NRFANRHFSA-N 445.496 5.594 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@@H]1c1ccc(OC)cc1 170116628 XGLKNXWVOCCZEM-NRFANRHFSA-N 443.927 5.126 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C2CCCCC2)c1 170119280 LEPSOIWSYRQCEF-VWLOTQADSA-N 441.527 5.759 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2cccs2)cc1OC 170158748 YFCIIEKDPNBFPN-QFIPXVFZSA-N 449.528 5.165 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@H]1c1cccs1 170164918 UXBLULHWTNAJDI-OAQYLSRUSA-N 427.566 5.567 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@H]1c1cccs1 170165536 PLVIZMFJCNYFIS-OAQYLSRUSA-N 427.566 5.551 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@H]1c1ccc(O)c(Cl)c1 170219618 RCSBJVXLOFZNKB-HXUWFJFHSA-N 443.927 5.049 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2)cc1C(C)C 170230330 LNRGANANFFJITC-DEOSSOPVSA-N 445.515 5.580 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccccc1 170233133 JASQPNSAFTUUPP-XMMPIXPASA-N 435.564 5.798 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@H]1c1ccccc1F 170252555 MRCUKNMUIKMUDQ-HSZRJFAPSA-N 439.527 5.645 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@@H]1c1ccccc1F 170253127 STTIJEVAFDAZGX-QHCPKHFHSA-N 439.527 5.629 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@H]1c1sccc1C 170319495 YIQVCDWQWPILPR-SFHVURJKSA-N 447.984 5.795 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C(F)(F)F)cc2)c1 170345167 AOYVPEQCFHDXLF-LJQANCHMSA-N 427.378 5.390 30 10 IKEE Cc1ccccc1OCCCC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N 170522192 JJWXDUWNXQGUSC-UHFFFAOYSA-N 436.511 6.591 30 10 IKEE CCCCCCCCCOc1ccc(C[C@H]2CN(CC)CC[C@H]2O)cc1Br 243403074 MOETUNROMRYCEF-RBBKRZOGSA-N 440.466 5.824 30 10 IKEE Cc1ccc2c(c1)S/C(=C1/C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)C1=O)S2 251264480 YMDSWPZYGHRYGY-SVGNYIDDSA-N 438.702 8.016 30 10 IKEE COc1ccc(/C=C2/SC(=Nc3cccc(C)c3)N(c3cccc(C)c3)C2=O)cc1OC 252619648 LRUUZPFPIVDIFJ-GUGSDYAWSA-N 444.556 6.129 30 10 IKEE CCCOc1ccc2ccccc2c1/C=C1\SC(=Nc2ccccc2CC)N(CC)C1=O 252629248 UCDIRXNTFIAGTA-SBEYKLCGSA-N 444.600 6.815 30 10 IKEE COc1cc(C=NNc2ccc(Cl)cc2)cc(I)c1OC(C)C 252629283 UCQHXBRMZRORQK-UHFFFAOYSA-N 444.700 5.186 30 10 IKEE 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@@H]3CC[C@]21C 254620100 KAIVGEVOBNIWLR-ICBXCTNASA-N 428.657 5.705 30 10 IKEE CC1(C)OB(CCC[C@H](N)c2cc(Br)ccc2Br)OC1(C)C 383819618 GZTJKFOQFCOHFQ-AWEZNQCLSA-N 432.993 5.084 30 10 IKEE CCN[C@H](CC#CC(C)(C)C)c1cc(Br)ccc1I 388759188 CJNVXCVMWJNRHC-OAHLLOKOSA-N 434.159 5.144 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(Br)cnn1C(C)C 407148339 KISIMNXKAIVDMW-DLBZAZTESA-N 443.430 5.127 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)ccc(Br)c1F 407229766 ZTPVIPXFSGQQOF-YOEHRIQHSA-N 433.337 5.237 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccc(OCC)c2)cc1 526516727 RBRPODFNTNMZGN-VWLOTQADSA-N 440.499 5.413 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1ccc(OC(C)C)cc1 526809599 OVVGQCVJBWYJCA-QQXSKIMKSA-N 436.625 6.199 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C)n2/N=C\c2c(Cl)ccc(Cl)c2Cl)c1 526818727 XQKYWLKUIKXPLO-AQHIEDMUSA-N 439.799 6.338 30 10 IKEE C=C(C)CN(C(c1ccccc1)c1ccccc1)S(=O)(=O)c1cc(OC)ccc1OC 586141751 NAZQNYBUVZHQTB-UHFFFAOYSA-N 437.561 5.060 30 10 IKEE CC(C)(C)c1ccc(S(=O)(=O)N(CCCC#N)c2ccc(Oc3ccccc3)cc2)cc1 586251766 BNGOIRXTZCWAQI-UHFFFAOYSA-N 448.588 6.275 30 10 IKEE CC(C)(C)OC(=O)N(C[C@H]1CCCO1)[C@H](C#N)c1cc(Cl)ccc1Br 698469134 GCRSFTQIMWZVHL-CZUORRHYSA-N 429.742 5.083 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@H](C)CN(C(=O)OC(C)(C)C)C2)c1 698471452 UDJHKZHPUCOKRS-MHECFPHRSA-N 429.561 5.276 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@@H](C#N)c1cccc(Br)c1F 698986681 FPOGLQGSWDDBKF-INIZCTEOSA-N 439.712 6.248 30 10 IKEE CC(C)C1CCC([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)CC1 710749376 MHRPPDODMVNSRZ-UHYCVJNDSA-N 435.406 6.545 30 10 IKEE CSc1cnc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)s1 712919989 OVRDBCBLSCTHLL-ZDUSSCGKSA-N 440.388 5.634 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 724093905 VKOWRXHXZHKQNX-UQBPGWFLSA-N 449.636 5.924 30 10 IKEE O=C(NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1cccc(C(F)(F)F)c1 821199420 SXRNKAPOVBDFHS-UHFFFAOYSA-N 444.253 5.705 30 10 IKEE CC(=O)Nc1ccc(N=Cc2ccccc2OC(=O)c2sc3ccccc3c2Cl)cc1 1084294055 NNVMAYZWZAXUFV-UHFFFAOYSA-N 448.931 6.483 30 10 IKEE CCc1ccc(C(=O)N2c3ccc(F)cc3/C(=N\c3cc(F)c(F)c(F)c3)C[C@@H]2C)cc1 1615946863 VJPJDKBVCQXFBP-MYLJFAKISA-N 440.440 6.365 30 10 IKEE COc1cccc(C(=O)Nc2cccc3c(OC(=O)Nc4cccc(C#N)c4)cccc23)c1 1858769915 RQDNTILAGHBLHI-UHFFFAOYSA-N 437.455 5.583 30 10 IKEE Cc1c(C(=O)Nc2sc3c(c2C#N)CCCC3)c(=O)oc2c(Cl)cc(Cl)cc12 1859742756 APUYJCVJMRTGOJ-UHFFFAOYSA-N 433.316 5.473 30 10 IKEE Cc1cc(C)c(C#N)c(N2CCC3(C=Cc4ccc(OCc5ccccc5)cc4O3)CC2)n1 1859824423 JPZRQOLLXLFPPW-UHFFFAOYSA-N 437.543 5.594 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)/C=C/c1ccc(OC)cc1)[C@H](C)CC 1861078978 UPWOSYJVLMWUHX-BMLPRPETSA-N 430.633 5.496 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(CCCC)cc2)n(Cc2ccc(C)cc2)n1 1862334461 IQJSQBODYFOQSG-UHFFFAOYSA-N 427.592 6.064 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(O)cc1 1862381914 ITNCTCLXVFNOFP-IBGZPJMESA-N 434.319 5.468 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CCC(C)C)c1 1862385323 MNRRXGBRWCNEPA-HXUWFJFHSA-N 448.346 5.626 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(Cl)cc1Cl 1862408372 KMHLBXLJPWPZNU-IBGZPJMESA-N 434.319 5.299 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@H]2c2ccccc2F)c1 1862431112 ZSDDRXCHKGWSOE-HSZRJFAPSA-N 449.909 5.874 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2cccc(Cl)c2)cc1 1862476313 IGMXXKVWQUCJKT-XMMPIXPASA-N 445.946 6.044 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2cccc(C)c2)c1 1862508343 ZLPYCACZXBBUFC-XMMPIXPASA-N 429.491 5.529 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccc(OC)cc2)cc1 1862535970 NWGPHEAGNCIHQN-RUZDIDTESA-N 445.559 5.726 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(OCCC)cc1 1862550197 FIUSWVYPFJPTNN-XMMPIXPASA-N 431.532 5.119 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C2CCCCCCC2)c1 1862591334 HEBBJWCOBMPMMV-HSZRJFAPSA-N 435.520 5.092 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1c(Cl)cccc1Cl 1862596306 DSRPYJJJZZBTRV-IBGZPJMESA-N 434.319 5.468 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccccc2F)cc1F 1862639308 VQHIHICELHWXLA-BANJIEJESA-N 441.474 5.130 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1c(F)cccc1Cl 1862652255 GUUYRUOJHGDQEY-QFIPXVFZSA-N 437.898 6.011 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 1862666851 NIEPYALDAJGIFO-XMMPIXPASA-N 449.591 5.722 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(C)c2)cc1 1862674732 RYSJWBGARBHFAX-AVRWGWEMSA-N 443.518 6.036 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(Br)cc1 1862681032 PZQZTJJFLKZLKO-IBGZPJMESA-N 446.316 5.213 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862717313 AHIBZRLSBDDMTL-QHCPKHFHSA-N 444.487 5.517 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccccc1F 1862724805 UGCOSMRCMZHTFX-VWLOTQADSA-N 443.518 6.261 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cc(Cl)cc(Cl)c1 1862744151 LDPQIMAMOLRRGU-BBATYDOGSA-N 449.290 5.278 30 10 IKEE CCCCCCCCNC1=C(c2ccc(C)c(C)c2)C(=O)N(CCCN(CC)CC)C1=O 1863607099 SASLSSFQRXYHQO-UHFFFAOYSA-N 441.660 5.065 30 10 IKEE CCCCCCCCNC1=C(c2ccc(OCCC)cc2)C(=O)N(Cc2cccnc2)C1=O 1863677142 ASEDHWQURGBAFS-UHFFFAOYSA-N 449.595 5.101 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3nc[nH]c3[C@H]2C(C)C)nc(-c2ccccc2C)n1 1869158767 MBJIFXXEAKCPHS-RUZDIDTESA-N 428.584 5.113 30 10 IKEE CCCCCCCCn1cc(OCCCC(=O)OCC)c(=O)cc1CNc1ccccc1 1870797450 AHNCSGAMVVYMIR-UHFFFAOYSA-N 442.600 5.543 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2C)c(CNc2cc(C)cc(C)c2)cc1=O 1870836118 DWZZNALVZXWOTM-UHFFFAOYSA-N 446.635 6.783 30 10 IKEE CCCCCCCCn1cc(OC)c(=O)cc1CNc1ccc(OCCCCCC)cc1 1870997709 VULVWIBKLPLJTL-UHFFFAOYSA-N 442.644 6.789 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN(Cc2cccc(Cl)c2)C3)C1=O 1871355755 SVNOJAIJCKUAMI-FMCGGJTJSA-N 431.919 5.925 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OC(=O)COc4ccccc4)ccc3C2=O)cc1 1871364895 YTGBYPDDFUSUIO-XYGWBWBKSA-N 443.499 5.133 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)CC1 1871383696 QZCDMYAISGSKBB-IWIPYMOSSA-N 438.951 6.858 30 10 IKEE CC(C)N(Cc1ccccc1)Cc1c(O)ccc2c1O/C(=C\c1ccc(N(C)C)cc1)C2=O 1871393652 BOZKBTKEDTZMOC-QQXSKIMKSA-N 442.559 5.485 30 10 IKEE CCc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccc(OC)cc2)C3=O)cc1 1871454758 WKBIMOJYSLHZJY-IWIPYMOSSA-N 443.499 5.200 30 10 IKEE CCc1cccc(CC)c1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccco1)C2=O 1871455479 OFLNZICJWVBRIG-XKZIYDEJSA-N 431.488 5.347 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(CC)cc1)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872081073 WZLIZTRCSPICDQ-XMMPIXPASA-N 442.625 5.096 30 10 IKEE CCc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 1872759911 CNNYIWSXWVHUPK-DEOSSOPVSA-N 444.600 6.287 30 10 IKEE Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3cccc(Br)c3)cs2)ccc1[N+](=O)[O-] 1872763255 HXXDMYSQFCHBEH-OAHLLOKOSA-N 442.294 5.279 30 10 IKEE CCc1cccc(C)c1N1C[C@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(F)cc3)cs2)CC1=O 1872775942 DVGAUMILFVRVTI-UYAOXDASSA-N 447.535 5.049 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(F)cc3)n2)cc1C(C)C 1872779409 JAPHWXUOJXWKSQ-CLNPQZTCSA-N 434.536 6.279 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@@H](C#N)C(=O)/C=C/c2cccc(Cl)c2)n1 1872783909 LDIUSUIFAAYBEN-LXXRFIIISA-N 443.355 6.324 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)n1 1872784987 BUHXIBIEZYCZBC-VQIMIIECSA-N 437.609 5.239 30 10 IKEE CCc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)cc1 1872787779 RCONXYHVDGBGIY-QFIPXVFZSA-N 448.588 6.033 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@H](C#N)C(=O)Cc2ccc(OC(C)C)cc2)n1 1872788823 RDRXTPQTOMOYHJ-LJQANCHMSA-N 440.952 5.678 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(-n3cccc3)cc2)C(=O)N(CCCC)C1=O 1873037141 CFWZEPVWSYIHRH-UHFFFAOYSA-N 449.639 6.088 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H](CC)CCCCC)=C(c2ccccc2OC)C1=O 1873152624 KGGSNNTXFRKXEE-OAQYLSRUSA-N 442.644 6.084 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2[C@@H](C)CC)=C(c2ccc(C)cc2)C1=O 1873368128 UMVRSLKARNPGKX-QFIPXVFZSA-N 446.635 7.061 30 10 IKEE Cc1ccc(COc2ccc(/C=N/n3c(S)nnc3CCc3ccccc3)cc2)cc1 1873502206 FWVLQOHNIXDBCE-YZSQISJMSA-N 428.561 5.122 30 10 IKEE C[C@@H](Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)C(=O)Nc1cccc(C#N)c1 1873866421 GTWRGWYDIWNTDF-OAHLLOKOSA-N 444.874 5.391 30 10 IKEE Cc1c(CCC(=O)Nc2cccc(C#N)c2)c(=O)oc2cc3oc4c(c3cc12)CCCC4 1873867832 ZNOJQWQBBUHRAB-UHFFFAOYSA-N 426.472 5.169 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1ccccc1Cl 1874329906 HALMQCBGZWULAQ-AFUMVMLFSA-N 425.001 5.884 30 10 IKEE CCCCOc1ccc(/C=N/n2c(Cc3ccc(Cl)cc3)nnc2SCCC)cc1 1874343506 USZZZVJAIMYPCI-KOEQRZSOSA-N 443.016 6.086 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1ccccc1OCCC 1874358671 UJEDXUJTCAROOI-WGOQTCKBSA-N 434.609 5.825 30 10 IKEE C=CCSc1nnc(CCc2ccccc2C)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874361910 CUAPJQDMFMJTTC-OEAKJJBVSA-N 441.944 5.094 30 10 IKEE CCCOC(=O)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1cccc(Cl)c1 1874369873 VOMRLBDCLLRUCQ-FSJBWODESA-N 449.363 5.179 30 10 IKEE Oc1ccc(Cl)cc1/C=N/n1c(SCc2ccccc2F)nnc1C1CCCC1 1874455726 IHHDLYXQDXPXEB-WYMPLXKRSA-N 430.936 5.608 30 10 IKEE Clc1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2ccncc2)c(Cl)c1 1874457217 GUJUTUVXSJIBND-WYMPLXKRSA-N 432.380 5.812 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CCC2)cc1 1874496741 BLKBRTPXHHBJSI-OGLMXYFKSA-N 440.616 6.997 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(C)n1/N=C/c1ccc(Cl)cc1Cl 1874529816 CBOFVZNOZDGWOJ-FOKLQQMPSA-N 448.379 5.069 30 10 IKEE Cc1ccc(COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(Br)cc2)cc1 1874574298 GAOXNFKTUWAPJK-XYOKQWHBSA-N 441.752 6.886 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl)c1ccc(F)cc1 1874583881 LCHFDBNGDFKQEC-UXBLZVDNSA-N 435.709 7.261 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2C)c(OC)c1 1874587748 BOQAMIXLNWPCNC-GXDHUFHOSA-N 445.515 5.234 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1c(OCCc2ccccc2)ccc2ccccc12 1874591915 IPBXTMZBIXTBHO-BUHFOSPRSA-N 442.942 7.019 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1cccc(OCc2cccc(F)c2)c1 1874599359 JGCIYFDDBBCNEF-CMDGGOBGSA-N 431.290 6.616 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OCC(=O)N[C@H](C)c2ccccc2)c1 1874600968 LYJOIJVYAHKQIK-IYPOZPNPSA-N 449.934 5.501 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 1874614097 DLTYRWSCUWIKIA-WLRTZDKTSA-N 437.879 6.122 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(OC)c1OCc1ccccc1 1874621885 ZXLBLFUMFVUQFU-ZRDIBKRKSA-N 428.484 5.628 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)ccc1OCc1ccc(C)cc1 1874635387 MTJPNRWRRDSUQF-DTQAZKPQSA-N 442.599 7.475 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1OC(=O)Cc1cccs1 1874693720 SJNYRAAUXCOVQB-XYOKQWHBSA-N 432.541 5.680 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1OC(=O)c1ccccc1 1874694991 FYVICGNKZFREDY-YRNVUSSQSA-N 427.283 6.117 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(F)cc3F)c2)cc1 1874695752 QDXDUYLIVJTZRO-XNTDXEJSSA-N 434.482 6.352 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccccc3[N+](=O)[O-])c2)cc1 1874701237 IAFRANPLBVKQKM-RIYZIHGNSA-N 447.443 5.117 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OC(=O)Cc1ccccc1F 1874708081 LNHKBJPXNWIVOG-RIYZIHGNSA-N 432.491 6.002 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cc4ccccc4n3C)c2)c(OC)c1 1874714752 MFLSWQMAIXBHSO-SDNWHVSQSA-N 441.483 5.311 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC(=O)CC(C)(C)C 1875094670 DAOSSCRQQWOAIE-VAWYXSNFSA-N 437.492 5.570 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(CC)cc3)cc2)cc1 1875103855 SOQBCLWWLCRDPQ-XDHOZWIPSA-N 428.528 6.082 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(OC)c1OC(=O)c1ccccc1F 1875111255 AYFWTKXCDVYURH-VAWYXSNFSA-N 440.854 5.612 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(-n3cccc3)cc2)cc1)c1ccc(Cl)cc1 1875123056 UMVWQQBRRUANPE-FZSIALSZSA-N 427.887 6.246 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccnc3)cc2)cc1OCCC 1875124265 WVZYMPZQWYESNN-UKTHLTGXSA-N 445.515 5.775 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c([N+](=O)[O-])c2)c(C)c1 1875134772 KQJDNJRGFHBNDY-NYYWCZLTSA-N 446.415 5.235 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)COc1ccccc1CC 1875136671 GEZVCFSXOCKSQI-FOWTUZBSSA-N 444.527 5.837 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)C3CCCC3)c(OC)c2)cc1 1875137232 CEVGLJZCFMOXCB-NTEUORMPSA-N 438.520 5.484 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1ccccc1OC 1875144684 ZLPNXSFCROGQNY-ZRDIBKRKSA-N 432.472 5.136 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Br)c1OC(=O)C1CCCC1 1875158573 CEXLKXAKJKHEAB-IZZDOVSWSA-N 447.300 5.589 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc1 1875163568 RIJJBKSEEHTHHK-NTCAYCPXSA-N 444.527 6.251 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc(OC)c1OC(=O)C(C)C 1875179798 BPXVIJFICFUIBO-MDZDMXLPSA-N 442.939 5.852 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)CC(C)C)c(OC)c2)cc1Cl 1875186844 DMHMGCKWUPRGGX-SOFGYWHQSA-N 432.900 5.213 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OC(C)=O)cc3)cc2)cc1C 1875187280 WQCWQEKZFOMGQW-VGOFMYFVSA-N 444.483 5.353 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccccc2)c([N+](=O)[O-])c1 1875193110 SRZMUJLTRJSZLQ-JXMROGBWSA-N 437.835 5.372 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](Cc2cccc(Br)c2Cl)NCC)C1 1892685369 YWILAHQZUOZZTK-INIZCTEOSA-N 443.813 5.237 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)NCCC 1922086682 RYSKKUWCUAQMHL-TUSQITKMSA-N 444.660 5.801 30 10 IKEE Cc1sc(C)c([C@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)c1Br 1930029007 ZYOJSDWOEHBECO-INIZCTEOSA-N 435.387 6.129 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCC2)C[C@@H]1C1CCC1 2018419653 LTPJWPFDQZOSBC-DVECYGJZSA-N 433.593 5.238 30 10 IKEE CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2032542002 ROIBBCRBPRQFCH-KBMIEXCESA-N 449.636 5.876 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)C1(C#N)C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2033847259 PCECMSGWOXOVFD-APBVPVKBSA-N 431.580 5.826 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2067217959 UDGKBWHZGVTRGM-RUZDIDTESA-N 441.572 5.502 30 10 IKEE CCOC(=O)c1c(C(C)C)nn(Cc2c(F)cccc2C(F)(F)F)c1C(F)(F)F 2079079369 RYFRLROCQYYOML-UHFFFAOYSA-N 426.332 5.408 30 10 IKEE CC(C)(C)OC(=O)c1nn(Cc2ccc(F)c(C(F)(F)F)c2)c(C(F)(F)F)c1Cl 2079181830 CBJMYHNTCPDMJV-UHFFFAOYSA-N 446.750 5.717 30 10 IKEE CC(C)(C)[C@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)(F)F)c(C#N)c1Cl 2079958777 WUQNPLKQHHORIG-ZDUSSCGKSA-N 427.751 6.220 30 10 IKEE CCCc1ccc([C@@H](C(C)C)n2nc(CC)c(C=NO)c2I)cc1 2080032606 FPLVMKBABRBCTK-GOSISDBHSA-N 439.341 5.056 30 10 IKEE COc1ccc([C@@H](n2nc(C(C)C)c(C=NO)c2Br)C(C)(C)C)c(F)c1 2080053085 FYOFSOBVXUPBLS-QGZVFWFLSA-N 426.330 5.360 30 10 IKEE CC(C)(C)CN(Cc1ccccc1)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1C(F)(F)F 2116144008 BXPHFFMIXLROOY-UHFFFAOYSA-N 448.338 5.452 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(Nc2cccc(Br)c2)CC12CCCCC2 2155294719 KANICTKFVQFFFP-FQEVSTJZSA-N 434.378 5.467 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)c(F)c1F 2159121363 SYKMVAHWFVFSCH-QAPCUYQASA-N 445.348 5.075 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCC2(CCOCC2)C1 2159744385 LMKFKZMRSPPTHQ-OAQYLSRUSA-N 435.362 5.434 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc2c1CCN(c1ccc(C#N)c(Br)c1)C2 2174814960 OCVSMJUYPPBENL-UHFFFAOYSA-N 428.330 5.230 30 10 IKEE CC(C)(C)OC(=O)NC1CCC2(CC1)CC(Nc1ccc(C#N)c(Br)c1)C2 2176700176 AKDRLAJVDTYGFC-UHFFFAOYSA-N 434.378 5.349 30 10 IKEE CN(Cc1ccc(Br)cc1C#N)[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 2190469121 OMOWECNKBOBSSJ-FDTGPBLFSA-N 425.370 5.136 30 10 IKEE C=CCN(CC[C@H](NCCC)c1cc(F)c(Br)c(F)c1)C(=O)OC(C)(C)C 2207169159 XECQNUYNQMYRRP-KRWDZBQOSA-N 447.364 5.581 30 10 IKEE C=CCCCCCCC[C@@H](NCC)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2214615773 RGJSNLHTZNZSJB-RPWUZVMVSA-N 432.649 5.991 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@@H](C#N)c1c(F)ccc(Br)c1F 2239731616 JFHUYDQUIWOZLC-HNNXBMFYSA-N 441.247 5.873 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@H]2CCCC[C@H]2N(C(=O)OC(C)(C)C)C1 2246648211 WOUWRRANCIUPGV-LUCIHVKJSA-N 435.609 5.484 30 10 IKEE C=CCCC1([C@H](O)Cc2cc(Cl)cc(Br)c2)CN(C(=O)OC(C)(C)C)C1 2266200919 GQDVOUNUTBFBHJ-QGZVFWFLSA-N 444.797 5.209 30 10 IKEE CC(C)(C)OC(=O)NCc1ccc(Cl)cc1Nc1cc(Br)cc(C#N)c1 2268701959 SEDQLDVDHOFWIV-UHFFFAOYSA-N 436.737 5.742 30 10 IKEE C=CC[C@@H](C)[C@@H](OCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2275715866 CWTPYJOMYLUESC-LYZGTLIUSA-N 446.543 6.199 30 10 IKEE C=CCC[C@@H](C)[C@@](C)(OCC(=O)O)c1cc(Br)c(Br)s1 2291003333 HJXHBQSQBMGPPO-YMTOWFKASA-N 426.170 5.192 30 10 IKEE COc1ccc(-c2ccc(C=C3SC(=Nc4ccc(C)cc4C)NC3=O)o2)c([N+](=O)[O-])c1 2296684262 SFHBNSRSDZRFBW-UHFFFAOYSA-N 449.488 5.372 30 10 IKEE COc1ccc(C=C2SC(=Nc3ccccc3)N(c3ccccc3)C2=O)c(OC)c1OC 2296826838 YTGHUEQUAJYCOS-UHFFFAOYSA-N 446.528 5.521 30 10 IKEE CCOC=Nc1c(C(=O)OCC)sc2nc(-c3ccccc3)c3c(c12)CC(C)(C)OC3 2297731053 JXFOTWYEALWKAC-UHFFFAOYSA-N 438.549 5.688 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@](C#N)(N(C(=O)OC(C)(C)C)C1CCCCC1)C2 2305675366 ITOFJROSUHLPIX-KDLAUNOPSA-N 433.593 5.238 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)CCSc2n[nH]c(NN=CC=Cc3ccccc3)n2)cc1 2313921951 CJZNKPPDMIVHKI-GOSISDBHSA-N 448.596 5.550 30 10 IKEE COc1ccc(C=C2Oc3c(ccc4c3CN(Cc3cccc(Cl)c3)CO4)C2=O)cc1 2322211060 RUVCLKGPIRGBLG-UHFFFAOYSA-N 433.891 5.317 30 10 IKEE COc1ccc([C@H](C)N2COc3ccc4c(c3C2)OC(=Cc2cccc(F)c2)C4=O)cc1 2322239836 FFNWEKIZVGOUIP-INIZCTEOSA-N 431.463 5.364 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc3c2CN(CCCCc2ccccc2)CO3)C1=O 2322252138 SAKIFGHMERZHGL-UHFFFAOYSA-N 425.528 5.786 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc4c3CN([C@@H](C)C35CC6CC(CC(C6)C3)C5)CO4)C2=O)o1 2322261838 ANXMNZZWDIHMHS-BBXRDKHSSA-N 445.559 5.961 30 10 IKEE COc1cccc(C=CC(=O)c2ccc3c(c2)CCCC3)c1OCc1cc(C)ccc1C 2322339187 RCWOIHNCIHCAPW-UHFFFAOYSA-N 426.556 6.666 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2ccccc2C)c1 2322374090 XTERJHUVKYSWIW-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(F)cc2F)c1OCC(=O)OCC(C)C 2322501215 HEZHIWXOPQUTBX-UHFFFAOYSA-N 438.854 5.101 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2nc(O)c3ccccc3n2)c(C)c1 2322572861 DZGSOSXKRXGNGW-UHFFFAOYSA-N 444.918 6.081 30 10 IKEE COC(=O)COc1ccc2ccccc2c1C=CC(=O)c1cc(C(C)(C)C)ccc1OC 2322769161 SBLFVZIYPRJONW-UHFFFAOYSA-N 432.516 5.594 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OCC(=O)Nc1ccc(F)cc1 2323160927 SUHMRYBPUKILQF-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE C=C(C)COc1c(OC)ccc(C=CC(=O)c2ccc(OC)c(F)c2)c1Br 2323202330 GEKBEECANAAQTM-UHFFFAOYSA-N 435.289 5.456 30 10 IKEE Cc1c(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc2c1OC(=Cc1ccccc1)C2=O 2323302948 PWYACBIKGGXZGD-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE CC(C)COC(=O)COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1Cl 2323422688 FELNSXBPXYEUEO-UHFFFAOYSA-N 426.940 5.693 30 10 IKEE CCCCCCCCCOc1ccc(C=Nn2c(C)nnc2S)cc1Br 2323461356 AYETVADDKAYEON-UHFFFAOYSA-N 439.423 5.649 30 10 IKEE O=C(C=Cc1ccc([N+](=O)[O-])cc1)Oc1ccc2c(c1)OC(=Cc1cccc(Cl)c1)C2=O 2323594841 NVIJLWPJXJVIPA-UHFFFAOYSA-N 447.830 5.483 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(OC(=O)CCOc4ccccc4)c3C)C2=O)cc1 2323686633 XNDKFZKEDHCTEX-UHFFFAOYSA-N 444.483 5.384 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCCc1ccccc1 2323688210 SHOVNJVGQUSURG-UHFFFAOYSA-N 443.499 5.850 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OCC(=O)Nc1cc(C)ccc1C 2323780790 SSJICGIBVSAPKW-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 2323802578 IBWZTLHAKRFTSQ-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc(Cl)c1OCC(=O)OC 2323888875 OJQSBFIOZMXYHJ-UHFFFAOYSA-N 443.710 5.493 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OCc1cc(C)ccc1C 2323943701 NOZVPVLQOZXQDW-UHFFFAOYSA-N 430.544 6.413 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(OC)c1OCC(=O)OCC(C)C 2324155956 XJUVEAKJTNQDQK-UHFFFAOYSA-N 440.536 5.301 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OCc1nc(O)c2ccccc2n1 2324194872 CTWZRDXAIISCJP-UHFFFAOYSA-N 444.462 5.348 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)OCc4ccccc4)cc(C)c3C2=O)cc1 2324234275 TZHGWDFNSNSNQW-UHFFFAOYSA-N 428.484 5.296 30 10 IKEE CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1ccc(C)cc1)C2=O 2324325136 RLNUZUWYQWWFMG-GOSISDBHSA-N 443.499 5.416 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(OC)cc3OC)n2)cc1 2324545734 ZOAMGXFXFNKQOM-OAQYLSRUSA-N 448.544 5.506 30 10 IKEE COc1cc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(C)cc3)n2)c(OC)cc1Cl 2324741452 DHKNBNXCMFTVBM-KRWDZBQOSA-N 438.936 5.679 30 10 IKEE Clc1ccccc1CSc1nnc(CCc2ccccc2)n1N=Cc1cccs1 2325449229 STYLMGADVWQHTL-UHFFFAOYSA-N 439.009 5.953 30 10 IKEE Cc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1C 2325684620 JGMCJBORTLIFFJ-UHFFFAOYSA-N 431.444 5.092 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1OC(=O)c1ccc(Cl)cc1 2325700927 HDELNXXYOFDYCW-UHFFFAOYSA-N 446.930 6.343 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4cccc5ccccc45)ccc3C2=O)o1 2325706979 GUMPRTANOQMVHK-UHFFFAOYSA-N 425.440 5.375 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cncc(C)c3)c2)cc1 2325710734 PILKHJLRDCYRNA-UHFFFAOYSA-N 429.516 5.857 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc3cc(Cl)ccc3n2)c1)c1cccc(Cl)c1 2325728877 VKIYHPVWMWRCMN-UHFFFAOYSA-N 448.305 6.657 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccccc2F)C3=O)cc1Cl 2325729030 OUPXBYZOEUQVMZ-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)CC3CCCCC3)c2)cc1C(C)C 2325753981 KTQUXWPVKJYQLD-UHFFFAOYSA-N 434.576 6.899 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)CC3CCCCC3)c2)c(OCC)c1 2325762628 CLRZADRBJJZMFD-UHFFFAOYSA-N 436.548 6.256 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1cccc(C=CC(=O)c2c(C)cc(C)cc2C)c1 2325764710 XIXROBKLVHYYNL-UHFFFAOYSA-N 444.527 5.891 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3cccs3)c2)cc1C 2325770044 SMJLVXXOHVZHCO-UHFFFAOYSA-N 436.529 5.426 30 10 IKEE CSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1cc(Cl)ccc1O 2325910915 DZJLAKTYKSWWIN-UHFFFAOYSA-N 443.743 5.127 30 10 IKEE CCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccc(OC)c(Br)c1 2326379334 QETHHEUGBAPJJL-UHFFFAOYSA-N 445.386 5.095 30 10 IKEE Cc1cccc(C=Nn2c(CCc3cccs3)nnc2SCc2ccccc2C)c1 2329635315 CUQNRBGWNIYXAT-UHFFFAOYSA-N 432.618 5.916 30 10 IKEE COc1cccc(C=Nn2c(SCc3cccc(F)c3)nnc2[C@@H](C)c2ccccc2)c1 2330077942 AONMKBLOTIGNOD-SFHVURJKSA-N 446.551 5.752 30 10 IKEE Clc1ccccc1CSc1nnc(CC2CCCCC2)n1N=Cc1cccnc1 2330273622 QHEKWXCMZJFTKY-UHFFFAOYSA-N 425.989 5.624 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1cccnc1 2330820891 UXKOEKMSQVWJTD-UHFFFAOYSA-N 442.298 5.902 30 10 IKEE CCSc1nnc(CC(C)(C)C)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2330833008 DWPMTOUGWMPWRD-UHFFFAOYSA-N 443.016 6.093 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2Cl)cc1 2331142676 RQBVTMCDRSDLFT-UHFFFAOYSA-N 441.310 6.046 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OC(=O)CSc1ccccc1 2331159683 BFASNMUWJAAGTA-UHFFFAOYSA-N 438.932 5.942 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)C(F)(F)F)c(OCC)c2)cc1 2331201240 CZPVJZJYTUZXHU-UHFFFAOYSA-N 442.817 5.501 30 10 IKEE CCOc1cc(C=Nn2c(SCc3cc(C)ccc3C)nnc2-c2ccco2)ccc1O 2331210395 BEROHVPUZGJRSK-UHFFFAOYSA-N 448.548 5.434 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3F)c([N+](=O)[O-])c2)c(C)c1 2331225417 VLZFUFJGGZPSGS-UHFFFAOYSA-N 437.398 5.605 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OC(=O)c1ccco1 2331443403 JUBSBFFFUBSMKZ-UHFFFAOYSA-N 440.835 5.176 30 10 IKEE CCOc1ccc(C=Nn2c(CC(C)C)nnc2SCc2ccccc2)cc1OCC 2331453686 VXIFCPVNSRQUPV-UHFFFAOYSA-N 438.597 5.449 30 10 IKEE Fc1ccccc1CSc1nnc(C2CCC2)n1N=Cc1ccc(C(F)(F)F)cc1 2331521327 SNMMJAMSBWUVBU-UHFFFAOYSA-N 434.462 5.878 30 10 IKEE Cc1ccccc1CSc1nnc(C(C)C)n1N=Cc1cc(Br)ccc1O 2331675521 YPFRKLRHHGCVJZ-UHFFFAOYSA-N 445.386 5.353 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(Cl)ccc2OC)cc(OC)c1OC(=O)CCCC 2331883203 WCDWUZXSLCBHLR-UHFFFAOYSA-N 442.939 6.077 30 10 IKEE CC#CCN(C[C@@H](NCC)c1c(Br)ccc(Cl)c1F)C(=O)OC(C)(C)C 2337907454 ORTLLTBVYXENCN-OAHLLOKOSA-N 447.776 5.153 30 10 IKEE CC[C@@H](CCCNC(=O)OC(C)(C)C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339587063 ORURWDCUTUOGAS-IBGZPJMESA-N 446.397 5.189 30 10 IKEE CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339606314 PEOIDQOZOYWGHY-WXVNRZFOSA-N 446.397 5.044 30 10 IKEE Cc1cc(Br)c(Oc2ccc(C#N)c(Cl)c2)cc1NC(=O)OC(C)(C)C 2344223944 QSEUCEATXDILPQ-UHFFFAOYSA-N 437.721 6.422 30 10 IKEE Cc1cc(Br)c(Oc2cc(C#N)cc(Cl)n2)cc1NC(=O)OC(C)(C)C 2344227941 SQJQWHUPFWYPRL-UHFFFAOYSA-N 438.709 5.817 30 10 IKEE C=CC1(C[C@@H](OCCCN)c2sc(Cl)cc2I)CCC1 2366685995 AOAIDKWYAUPXRF-GFCCVEGCSA-N 425.763 5.159 30 10 IKEE C=CCN1C(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)SC1=S 2905940 AQTGFZYVSHVTSY-ZDLGFXPLSA-N 436.385 5.960 30 10 IKEE CCOc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(Cl)c(Cl)c1)C2 20885438 UPDCCTKTVVOTGL-ZBFHGGJFSA-N 430.331 5.396 30 10 IKEE COc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(C(C)(C)C)cc2)C3)cc1OC 21257331 UAKBEJKGRCFQFM-ICSRJNTNSA-N 433.548 5.006 30 10 IKEE COc1ccc(-c2csc(NC(=O)CCSc3ccc4ccccc4n3)c2C#N)cc1 32528288 LGHQRUXCZNLYBM-UHFFFAOYSA-N 445.569 5.964 30 10 IKEE N#Cc1ccc([C@@H](O)c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)cc1 34557111 OMNGTIIUKIBRIQ-GDLZYMKVSA-N 441.534 5.677 30 10 IKEE O=C(/C=C/c1ccccc1OC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 34955630 YVCWPMKKUKITDP-ISLYRVAYSA-N 449.462 6.377 30 10 IKEE C=CCCC(O)(CCC=C)c1ccc(CN(Cc2cccc(OC)c2)C[C@@H]2CCCO2)o1 36203351 OKNNNLKYXQKWDU-DEOSSOPVSA-N 439.596 5.589 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(C(C)(C)C)cc1 40097461 AFJJTAVZEOPQKI-QHCPKHFHSA-N 431.532 6.109 30 10 IKEE Cc1cc(OC(=O)c2cc3ccccc3o2)cc2c1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O2 41352559 BDRDUXKSFRXADB-NHDPSOOVSA-N 441.395 5.485 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc(OCC(=O)OCc3ccccc3)c2C)C1=O 41432509 CYWXZHNONCFWSH-IWIPYMOSSA-N 444.483 5.132 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OCc4ccc([N+](=O)[O-])cc4)c3C)C2=O)c(OC)c1 41501393 GPSBZHNVTYYFNK-FMCGGJTJSA-N 447.443 5.116 30 10 IKEE COc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN([C@@H](C)c3ccccc3)C4)C2=O)cc1 41587490 SJWGDXGCRYQVQC-DNNAEVNTSA-N 427.500 5.533 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O3)CN([C@H](C)c1ccccc1)CO2 41648422 IAEZRKBWJHLPBE-SUVVMJBMSA-N 442.471 5.433 30 10 IKEE COc1ccc(CSc2nnc(N/N=C/c3cccc(Oc4ccccc4)c3)[nH]2)cc1 58994508 LYLPSINUBHBQAJ-BUVRLJJBSA-N 431.521 5.344 30 10 IKEE Cc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3cccs3)/C(=N\c3ccccc3)S2)c(C)c1 59108904 PNPMPSGIYQASHG-JOWZZTKRSA-N 449.601 5.525 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccccc2SCC)nnc1-c1ccc(Cl)cc1 59794925 PZGDTFVDBNMQFA-UHFFFAOYSA-N 445.013 5.627 30 10 IKEE CCCCCCCCCC(=O)Nc1ccc([C@@H]2SCC(=O)N2c2cccc(C)c2)cc1 98021564 OJFRVMAIXBHSEZ-SANMLTNESA-N 438.637 6.853 30 10 IKEE CCCCN1C(=O)/C(=C2\S/C(=N\c3ccc(Cl)cc3)N(C)C2=O)c2ccccc21 100311204 JJIBUHATVABDNO-HSHDLNIQSA-N 425.941 5.091 30 10 IKEE CCCCCCCc1ccc(/C=C\c2noc(-c3ccc(Br)cc3)n2)cc1 101438978 JWKJQKIKQLWOAG-ATVHPVEESA-N 425.370 7.182 30 10 IKEE O=C(C[C@@H]1S/C(=N\C2CCCCC2)N(C2CCCCC2)C1=O)Nc1ccccc1Cl 103886035 DWWBWNFSUIRQRR-ZPKJPUMHSA-N 448.032 5.634 30 10 IKEE CCCCCCCC/C=C\CCCCCCCCCCCC(=O)N(CCO)CCO 111899597 VVZUSTMGQZYVLJ-KTKRTIGZSA-N 425.698 6.398 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccccc2C)c1 169937052 HXSQLTQSQGRUDL-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE CCOC(=O)c1sc(N/N=C\c2cccc(OCc3ccc(Cl)cc3)c2)nc1C 169942704 RTLSTYGRFFTRFT-FMCGGJTJSA-N 429.929 5.307 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccc(O)cc2)cc1 169958129 HOQUEQVBZHSVHH-XMMPIXPASA-N 427.500 5.607 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2cccc(Cl)c2)c1 169970161 TYFAYXWHAUKCIJ-JOCHJYFZSA-N 435.882 5.879 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCC)cc1 169976039 LHLRETJUHFSZSD-JOCHJYFZSA-N 441.955 5.897 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(CC)cc3)[C@H]2c2ccccc2)cc1 170052612 AXTXOEDMOWPEDM-XMMPIXPASA-N 427.500 5.431 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccc(F)cc2)c1 170061201 FASSWSYJNODOCA-DEOSSOPVSA-N 440.474 5.707 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(C)cc2C)=C(N(C)Cc2ccccc2)C1=O 170095014 KEICXJAMLTVIOA-UHFFFAOYSA-N 432.608 5.876 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@@H]1c1ccc(O)cc1 170136679 SRZGFILPRQJVNH-QHCPKHFHSA-N 437.536 5.293 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccc(C)c2)c1 170142351 QNNLPGOZNMIDAE-XMMPIXPASA-N 438.483 5.048 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@H]1c1ccccn1 170172631 ANPUYYTYNADVMC-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@@H]1c1ccncc1 170205348 YXDZUIGHFLOYQL-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc(O)c2)c1 170261749 TYIBNKBATVTEFH-QHCPKHFHSA-N 435.520 5.092 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3OC)=C(O)C(=O)N2c2ccccc2)cc1 170265412 BURSJWLRCFSKQP-DEOSSOPVSA-N 443.499 5.049 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2C2CCCC2)cc1 170268512 VQVFVRSBNJXNRJ-DEOSSOPVSA-N 433.548 5.557 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@@H]1c1ccccc1C 170277277 DJTUNEHVSZWZLO-DEOSSOPVSA-N 449.591 6.070 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2Cc2ccco2)o1 170307103 SBHOPPDHEQJSRW-HSZRJFAPSA-N 449.503 5.303 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)=C(O)C(=O)N1C1CCCCC1 170317639 MHHPKDKFPHQKIB-VFNWGFHPSA-N 437.561 5.291 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2c(C)[nH]c3ccccc23)cc1 170403532 VXUZUOZXJRHAFG-VWLOTQADSA-N 436.511 5.822 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(Nc3ccccc3)cc2)[C@@H]1c1ccc(O)cc1 170449920 WZWHPHKNDFOVGB-RUZDIDTESA-N 442.515 5.651 30 10 IKEE Cc1ccc2nc(NC(=NCc3ccccc3)Nc3nc4ccc(C)cc4s3)sc2c1 195987282 UWLMUXQDDDIBOC-UHFFFAOYSA-N 443.601 6.603 30 10 IKEE COc1cc(/C=C2/SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc(Cl)c1O 252627158 RNUUUNQDFWLRLC-SKYIDQJDSA-N 436.920 5.863 30 10 IKEE COc1ccc(C=Nc2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c(OC)c1 254392777 CBGRKBJHDIEXTQ-UHFFFAOYSA-N 426.582 5.457 30 10 IKEE CCOc1cc(C=Nc2ccc(N3CCOCC3)cc2)ccc1OCc1ccccc1C#N 254704092 GSTVBPWOPYZSMG-UHFFFAOYSA-N 441.531 5.123 30 10 IKEE N#CC[C@H](Nc1cc(Br)ccc1I)c1ccccc1 311717544 LICLRICRHICLHF-AWEZNQCLSA-N 427.083 5.121 30 10 IKEE CCOc1ccc([C@@H]2C(c3cccc4ccccc34)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526492408 XBLWEYFYMMGABO-HHHXNRCGSA-N 446.506 6.167 30 10 IKEE Fc1ccccc1CSc1nnc(Cc2ccccc2)n1/N=C\c1ccccc1Cl 526803861 SAGGLMBDGWWRCA-YSMPRRRNSA-N 436.943 5.836 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1ccc(OC(C)C)cc1 526811376 JACLVQFRGPQHRH-QQXSKIMKSA-N 436.625 6.199 30 10 IKEE CCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccc(Cl)c(Cl)c2)cc1 526813951 FLSAADZOHABMOI-FMCGGJTJSA-N 435.380 5.721 30 10 IKEE CCCOc1cccc(/C=N\n2c(CC)nnc2SCc2c(Cl)cccc2Cl)c1 526814272 KUBBQQFKACNUEG-CFRMEGHHSA-N 449.407 6.111 30 10 IKEE Oc1ccccc1/C=N\n1c(CCc2ccccc2)nnc1SCc1ccccc1Cl 526816425 BYDOKVOEKLDDEW-QQXSKIMKSA-N 448.979 5.597 30 10 IKEE N#Cc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccc(F)cc2)cc1 526823807 UPUYVLYRCSWIKL-YUMHPJSZSA-N 427.508 5.054 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1ccc(OCC(C)C)cc1 526825655 ICSISHDARCQGAR-YSMPRRRNSA-N 440.588 5.969 30 10 IKEE C=C(C)CN(c1ccc(OCC(C)C)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586243781 VVXUUYSZCICZCY-UHFFFAOYSA-N 428.381 5.800 30 10 IKEE C=CCCC[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCCC 686842723 ZEHXFZAHAWMVMI-DEOSSOPVSA-N 443.676 5.661 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)c(F)c1F 689648754 XYSLSPQNQACQDM-PBHICJAKSA-N 433.337 5.237 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1cccc(Br)c1F 710722180 CACONSXPHYBVBG-MRXNPFEDSA-N 435.293 5.603 30 10 IKEE 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)c1ccccc1F 710780375 YUDMOTJUSRVTSD-JTFSCDOYSA-N 445.535 5.105 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C1 724081451 PNZMPJBVYWHSPO-KOSHJBKYSA-N 435.609 5.533 30 10 IKEE COc1ccc(-c2nn(-c3ccc(OC)cc3)cc2/C=C/C(=O)c2ccc(Cl)cc2)cc1 725328822 UOXAYRNXIABRJQ-FRKPEAEDSA-N 444.918 6.106 30 10 IKEE C=CCCCCCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CC=CCC1 1301169901 ISVNGKZCNZPEJU-IBGZPJMESA-N 432.572 5.133 30 10 IKEE C=CCOc1c(Cl)cc(CN(CCC)Cc2nc(O)c3sccc3n2)cc1OC 1462007977 MWNOEDZLFGWZTG-UHFFFAOYSA-N 433.961 5.036 30 10 IKEE C=CCCCCCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1=CCCCC1 1539944310 AHNOLMUWSBNQAM-UHFFFAOYSA-N 432.572 5.277 30 10 IKEE CCCCOc1ccc(/C=C2/S/C(=N/c3ccc(O)cc3)N(CC)C2=O)cc1OC 1614236930 CAHFJWSGBWJQIH-NEHLPSIOSA-N 426.538 5.204 30 10 IKEE CCCCCCn1c2ccccc2c2nnc(NN=Cc3ccc(C(C)(C)C)cc3)nc21 1772764984 MRYZWUXNNQEQIY-UHFFFAOYSA-N 428.584 6.303 30 10 IKEE Cc1ccc(Cn2nc(C(=O)Nc3ccc(C#N)cc3)cc2-c2cccc3ccccc23)cc1 1859392726 GSGNXWKAONIKCP-UHFFFAOYSA-N 442.522 6.184 30 10 IKEE Cc1ccc(Cn2nc(C(=O)Nc3ccccc3C#N)cc2-c2cccc3c2CCCC3)cc1 1859394433 LZDYZCGENLMUCG-UHFFFAOYSA-N 446.554 5.910 30 10 IKEE O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c2c(nc3ccc(F)cc13)CCC2 1859620197 WMAIMGGKOVIKML-UHFFFAOYSA-N 442.334 6.153 30 10 IKEE Cc1ccc2nc(-c3ccc(NC(=O)C(=O)/C=C/c4ccc(N(C)C)cc4)cc3)sc2c1 1860722942 VNVKHADSXBOGNB-VIZOYTHASA-N 441.556 5.559 30 10 IKEE CCCCCCCCNC(=O)[C@@H](CCC)NC(=O)c1cc(C)n(-c2cccc(Cl)c2)n1 1860941437 OUNNIRIFUIFBMV-OAQYLSRUSA-N 447.023 5.209 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)/C=C/c1ccc(OC)c(OC)c1 1861068611 PBKZJXYIZSXGFZ-WTYVIMSDSA-N 446.632 5.259 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)c1cccc2ccccc12 1861727992 UUGGMLJLHOWQDS-XMMPIXPASA-N 442.669 5.948 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2c(F)cccc2Cl)cc1C 1862405253 NQRBDSQGPRSSEM-HXUWFJFHSA-N 431.891 5.030 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(O)cc1 1862411662 MRFHPMLOQYVYDF-HTAPYJJXSA-N 443.490 5.608 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@H]1c1cccc(O)c1)c1ccc(F)cc1F 1862412059 VFUGUTHTTJWQGU-QFIPXVFZSA-N 439.458 5.139 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccccc1Cl 1862417572 USAJJWXXJAMQSG-XFPJRNFQSA-N 445.893 5.775 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccccc1F)c1ccccc1Cl 1862430812 SJWCWUHQSLGEHZ-IBGZPJMESA-N 427.884 5.319 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CCCC2)cc1 1862434106 RKIPBQZNZMEPIV-NRFANRHFSA-N 425.912 5.260 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1Cc1ccccc1F 1862444256 ZDJZHQDTBRTIJI-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1c(F)cccc1Cl 1862459513 BHGFCGBEKPBSEY-NIVTXAMTSA-N 441.808 5.273 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2CCC)cc1 1862462594 HHOJQNYUBBLUOB-NRFANRHFSA-N 447.453 5.271 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(N(C)C)cc1 1862478114 ZIGCXNGNBSKUSY-DHLKQENFSA-N 448.607 5.998 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)c1 1862488807 IPVQTKMOJHHRBX-JKFKMHIGSA-N 433.548 5.469 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(OCCCC)cc1 1862496925 XNRBFBZPDBZRAF-VWLOTQADSA-N 449.591 6.251 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)cc1 1862502171 SQBHZAGRQGTCQS-PNDGYVOYSA-N 437.511 5.300 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccccc2Cl)ccc1F 1862503000 NLWWXWPDUOTGAR-QMHKHESXSA-N 449.909 6.127 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc2ccccc12 1862584985 MAHVALPGLIIVSX-HXUWFJFHSA-N 426.299 5.745 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc3ccccc23)cc1F 1862644100 CLUYCHGCPXPWFR-DEOSSOPVSA-N 445.490 5.508 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(O)c(OCC)c1 1862669431 WAXMISPCDTURIE-QHCPKHFHSA-N 437.536 5.293 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cc(Cl)cc(Cl)c1 1862679267 BGNDVVGTMLIAPD-LJQANCHMSA-N 436.310 5.757 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2cccc3ccccc23)c1 1862705031 OPHJKNBLIIZTFF-SANMLTNESA-N 449.506 5.627 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc(F)c1)c1ccc2ccccc2c1 1862716164 ZTTLMAPVNCJFDQ-HSZRJFAPSA-N 427.431 5.350 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccccc1C 1862722603 VHMSPJZKYDETCH-DFBJGRDBSA-N 425.528 6.039 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccccc3F)C2=O)cc1Cl 1862925036 YMJITKFMINRCTA-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE Cc1c(Cl)cccc1NC1=C(c2ccccc2F)C(=O)N(c2cccc(C#N)c2)C1=O 1862927396 QHCHWSISOFCTNZ-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE C=CCN(CC=C)c1cc(N2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)nc(-c2ccccc2)n1 1869206650 LVFCGXYRXBGZFJ-YKSBVNFPSA-N 444.554 5.428 30 10 IKEE C=CCn1cc(OCCCc2ccccc2)c(=O)cc1CSc1nc2ccccc2s1 1870189333 DXUVIBOTHIYIPE-UHFFFAOYSA-N 448.613 5.948 30 10 IKEE CCCCCCCCCCn1cc(OCc2ccccc2F)c(=O)cc1CN1CCCC1 1870345050 UXVZLXWCNCMNRA-UHFFFAOYSA-N 442.619 6.303 30 10 IKEE C=CCn1cc(OCCOc2ccc(C(C)(C)C)cc2)c(=O)cc1CN(C)CCCC 1870592887 XOCNHBUUMMHSSX-UHFFFAOYSA-N 426.601 5.022 30 10 IKEE CCCCCCCCn1cc(OCCCCCC)c(=O)cc1CN1C[C@@H](C)C[C@@H](C)C1 1870676970 NFTCXACDRJHLAK-PSWAGMNNSA-N 432.693 6.646 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2C)c(CNc2ccccc2C)cc1=O 1870836192 HZJJXFCOTBMLNU-UHFFFAOYSA-N 432.608 6.475 30 10 IKEE CCOc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN([C@@H]2CCCC[C@H]2C)C4)cc1 1871351217 QFJGVOHOLZEDLV-KINXUWBGSA-N 433.548 5.741 30 10 IKEE CC[C@@H](C)N1COc2cc(C)c3c(c2C1)O/C(=C\c1cn(C)c2ccc(OC)cc12)C3=O 1871352029 MARDRUNRSKOFFP-SQTWMXCFSA-N 432.520 5.062 30 10 IKEE CCCCC[C@@H](CC)N1COc2c(cc3c(c2C)O/C(=C\c2sccc2C)C3=O)C1 1871353575 UFOHUOUBNHLYJL-UOIFGXKSSA-N 425.594 6.492 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)Cc4cc(Cl)ccc4Cl)ccc3C2=O)o1 1871376770 XFKXFNXJBDHEHE-JAIQZWGSSA-N 429.255 5.659 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OC(=O)/C(Cl)=C/c3ccccc3)ccc2C1=O 1871377233 BBULKHPPSBNFFC-OBUBVWICSA-N 432.859 5.497 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccccc4)cc(C)c3C2=O)c(OC)c1 1871385491 VXDKHYXXQGPRMP-CVOOIXSUSA-N 442.467 5.247 30 10 IKEE COc1cccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccc(C)cc4C)ccc3C2=O)c1 1871412027 UINNNNNFIHJUFR-BDFPJNNISA-N 443.499 5.334 30 10 IKEE CCOc1ccccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccccc1)C2=O 1871418536 YSVVDKMNPAZKBC-HAHDFKILSA-N 429.472 5.027 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccc(Cl)cc4F)c3C)C2=O)o1 1871440361 KTOYVTSVLKIFAF-JMIUGGIZSA-N 441.842 5.323 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(Cl)cc4F)ccc3C2=O)c1 1871447595 ZAXPJBVALUCQKQ-YVNNLAQVSA-N 437.854 5.421 30 10 IKEE CCn1cc(/C=C2\Oc3cc(OCc4cccc(C)c4)ccc3C2=O)c2cc(OC)ccc21 1871454949 CFTYRUKEGNYEQW-WKIKZPBSSA-N 439.511 6.173 30 10 IKEE Cc1cc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc2c1C(=O)/C(=C/c1ccco1)O2 1871457381 CORCWILMFHDFRP-OCKHKDLRSA-N 444.270 5.529 30 10 IKEE C=CCN([C@H](CC)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872461709 YUQDWDPDFLMHAO-OAQYLSRUSA-N 449.016 5.168 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cccc(C)c1C)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872525295 XVOJBSSHFZQLFH-DVECYGJZSA-N 442.625 5.232 30 10 IKEE N#C[C@H](C(=O)CNC(=O)c1ccc(Cl)cc1)c1nc(-c2ccc3ccccc3c2)cs1 1872759930 CXHTZMNDENUNKK-HXUWFJFHSA-N 445.931 5.223 30 10 IKEE N#C[C@H](C(=O)c1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872762722 UWYKNESSPIRTRF-GFCCVEGCSA-N 442.154 6.914 30 10 IKEE CCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 1872763391 LAHWFKLUYQVWOD-QGZVFWFLSA-N 427.323 5.461 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccccc3C(C)C)n2)cc1C 1872765684 UVARSFIRLMXUCU-PXNSSMCTSA-N 434.561 5.894 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(C(C)C)cc3)n2)cc1 1872770555 XRNZFDWTYUCYQQ-HANTZDOSSA-N 430.573 6.612 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)CCc2ccc(Cl)cc2)n1 1872785351 LCAJFTCJFSGVDL-OAQYLSRUSA-N 437.008 6.879 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(OC(C)=O)c3)n2)c2ccccc12 1872787187 DBHMRDBOGXLZDR-OAQYLSRUSA-N 442.496 5.387 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)cc2)=C(c2c(C)cc(C)cc2C)C1=O 1873331582 RGZLDXXICDEVLT-UHFFFAOYSA-N 436.571 6.303 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc([N+](=O)[O-])c2)=C(c2cccs2)C1=O 1873404939 CEPFCQRGVHHAPC-UHFFFAOYSA-N 427.526 5.209 30 10 IKEE C=CCn1c(C(=O)NCCCCCCCCCC)cc2c(N(CCC)CCC)ncnc21 1873594986 KUWAGHKKRXMNSD-UHFFFAOYSA-N 441.664 6.114 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C(C)C)cc2)cc2c(NCc3ccc(C)cc3)ncnc21 1873641657 FIQJGXCTXVPJFP-UHFFFAOYSA-N 439.563 5.914 30 10 IKEE CCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1/N=C/c1ccccc1C 1874194894 MGIYPXXWRXXBPV-NLRVBDNBSA-N 436.625 5.890 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1sccc1C 1874214271 DMFGARLJWHKZSG-HYARGMPZSA-N 435.018 5.697 30 10 IKEE C=CCSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1cccc(OCC)c1 1874258692 DGGFUWILKPTPRC-KOEQRZSOSA-N 436.581 5.369 30 10 IKEE Fc1ccc(F)c(OCc2nnc(SCc3ccccc3F)n2/N=C/c2ccco2)c1 1874260712 OEPGDDOVAAFOLM-OPEKNORGSA-N 444.438 5.042 30 10 IKEE Cc1cccc(OCc2nnc(SCCc3ccccc3)n2/N=C/c2cccnc2)c1C 1874325065 WWDLMKQDZNKYNZ-WPWMEQJKSA-N 443.576 5.086 30 10 IKEE Cc1ccc(CSc2nnc([C@H](C)c3ccccc3)n2/N=C/c2cccc(Cl)c2)cc1 1874392720 SJXUQFLGBXMNQT-BWJYWGHISA-N 447.007 6.566 30 10 IKEE Oc1ccccc1/C=N/n1c(CCc2ccccc2)nnc1SCc1ccccc1Cl 1874403472 BYDOKVOEKLDDEW-WGOQTCKBSA-N 448.979 5.597 30 10 IKEE Oc1cccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccccc2Cl)c1 1874408332 QRKTZXNVVKTMHK-MFKUBSTISA-N 441.000 5.934 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)(C)C)n2/N=C/c2ccc(Cl)cc2)c1 1874438883 YKEMQAJXINSXJL-AFUMVMLFSA-N 427.017 6.311 30 10 IKEE CCSc1nnc(-c2ccco2)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1874465102 SVYRHZCYEZIEGB-ZVHZXABRSA-N 438.940 5.765 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1cccc2ccccc12 1874491512 VHAWVNLDYQASTH-CVKSISIWSA-N 434.996 6.458 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1/N=C/c1ccc(CC)cc1 1874510998 GAWFAKASNCIWNG-MFKUBSTISA-N 435.597 5.023 30 10 IKEE CCN(Cc1ccccc1)c1ccc(/C=N/n2cnnc2SCc2ccccc2)cc1 1874537259 VQQKETVUISUGRG-WPWMEQJKSA-N 427.577 5.479 30 10 IKEE Sc1nnc(COc2ccccc2Cl)n1/N=C/c1cccc(Oc2ccccc2)c1 1874565616 KZIIPEVSXLDZCU-ZVHZXABRSA-N 436.924 5.474 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1cccc(OC)c1 1874572346 IQUYEGPWLWVIQO-ACCUITESSA-N 449.934 5.825 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc3ccccc3c2/C=C/C(=O)c2ccccc2)c1 1874578344 IWOQUZWRLQXJLL-BUHFOSPRSA-N 435.523 6.370 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2c(OCCc3ccccc3)ccc3ccccc23)c1C 1874587008 PXYXXDIETYVKRL-FOCLMDBBSA-N 434.579 7.591 30 10 IKEE C=C(C)COc1c(OC)ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c1Br 1874592962 LGSCQKFVRFEIEM-ZRDIBKRKSA-N 441.365 6.188 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(OC)c1OCCc1ccccc1 1874602467 NVMBYLDTGWXEIT-NTCAYCPXSA-N 438.523 6.375 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)ccc1OCC(=O)Nc1ccccc1F 1874604733 CHMCFACKJOAJKE-RVDMUPIBSA-N 447.506 5.700 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(C(=O)OC)o3)c(OC)c2)cc1 1874607505 RCNXGMWGIDHWLD-NTEUORMPSA-N 448.515 5.893 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3ccc(C)cc3)c(OC)c2)cc1 1874616854 WRCJEVOWEVNKOD-XNTDXEJSSA-N 446.543 6.276 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc([N+](=O)[O-])c1OCc1cccc(F)c1 1874618144 MBZCEOVXOVNBDT-ZHACJKMWSA-N 449.478 6.225 30 10 IKEE COc1cc(C(=O)/C=C/c2ccc(OCc3ccccc3)c(Cl)c2)c(OC)cc1Cl 1874630031 GXUIHUXLVFWJRP-CSKARUKUSA-N 443.326 6.486 30 10 IKEE COc1cccc(C(=O)/C=C/c2cccc(OC(=O)CCCOc3ccccc3C)c2)c1 1874695088 KFICZPQFFOHSMC-FOCLMDBBSA-N 430.500 5.664 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)c2)c(C)c1 1874701805 AMFURCYVNMEUID-DGTKBQTJSA-N 430.931 6.562 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)[C@@H](C)c3ccccc3)c2)cc1 1874701889 MZIRWHNHIKYVQP-QGRTWZNFSA-N 444.527 6.089 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)cc1OC(=O)C1CCC1 1874712281 RUTSLOUSWOKMRQ-SOFGYWHQSA-N 435.303 5.612 30 10 IKEE Cc1cccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(Oc4ccccc4)cc3)c2)c1 1874712282 DEWSTVTZYSRVSS-QGOAFFKASA-N 434.491 6.903 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1 1875094648 CFEFEWZZGRXZDT-XMHGGMMESA-N 442.514 7.037 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3)c(OCC)c2)cc1 1875106115 CGHYYFHQOSGCEG-RQZCQDPDSA-N 446.518 6.682 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Br)c2)ccc1OC(=O)C(C)(C)C 1875115446 DPWDCNRAWKNIKH-PKNBQFBNSA-N 431.326 5.695 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3)c(Br)c2)cc1 1875135947 POTYOZKDVJHUTJ-NTEUORMPSA-N 449.344 6.192 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3)c(Cl)c2)cc1 1875137653 XQJHROXJTNNACD-QLKAYGNNSA-N 438.882 6.383 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3C)c(Cl)c2)c1 1875139777 ZMDXBSGNTJSUKM-JLHYYAGUSA-N 432.947 6.700 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc4ccccc34)cc2Cl)cc1 1875155442 YBEJWSDCSDDVFJ-FOWTUZBSSA-N 440.926 7.171 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2ccc(OC(=O)Cc3cccs3)cc2)cc1Cl 1875172852 AGECGQZTPOTAFJ-JXMROGBWSA-N 442.920 5.463 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)c1ccccc1C 1875175893 MBNJTNLOJRXUJH-ZRDIBKRKSA-N 434.919 6.389 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@H](C#N)[C@@]1(C)CCCCN1C(=O)OC(C)(C)C 1890134854 KJNXFBOTAJSOHP-CJFMBICVSA-N 443.588 5.496 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCC)c2c(Cl)ccc(Br)c2F)C1 1892685320 YKHLWOYALOZREP-INIZCTEOSA-N 447.776 5.506 30 10 IKEE C[C@@H](CCS)CCSc1cc(I)ccc1Br 1900791474 JMVHNHBLTGJBIL-VIFPVBQESA-N 431.202 5.492 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@@]2(C#N)N(C(=O)OC(C)(C)C)C2CCCC2)C1 1918268910 VZGKWCGPAGYWEY-RPWUZVMVSA-N 433.593 5.240 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@H]1CN(C(=O)OC(C)(C)C)CCC12CCC2 1922084944 DQYVFRWQLDOUQO-PKTZIBPZSA-N 428.617 5.165 30 10 IKEE Cc1cc(Br)c(F)c([C@@H](C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)c1 1927542122 YRCJZQVWFJQZIC-GFCCVEGCSA-N 425.220 5.261 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@@H](C(F)F)N(C)C(=O)OC(C)(C)C)NCCC 1939761296 GNUBTNDKRPSZKD-UXHICEINSA-N 426.548 5.018 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 1944697680 LASCUBRMEUVOOM-ICSRJNTNSA-N 435.609 5.486 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)C2(C)C)c1 1947975283 ZYHXBXUMHDDOOY-XMMPIXPASA-N 429.561 5.418 30 10 IKEE C=CCCCC[C@@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2009485669 XSDWDLFDNAQRCC-ZEQKJWHPSA-N 429.649 5.270 30 10 IKEE C=CCCCCCCCCC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2026314935 XPMRGMZHXYDDCX-URXFXBBRSA-N 431.617 6.361 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)[C@@H]1CCSC1(C)C 2033644453 AUKJNICKNFBAIV-HOTGVXAUSA-N 425.392 5.614 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)NCC 2039333861 HEXIAFOSBBACPK-LOSJGSFVSA-N 438.612 5.264 30 10 IKEE C=C1C[C@@H]1C[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCCC 2040846170 JDVMGDMKFLOWEP-DNQXCXABSA-N 441.660 5.270 30 10 IKEE Cc1nc2ccccc2c(-c2ccc(Cl)cc2)c1C(=O)C=Cc1ccc2c(c1)OCO2 2041777676 JEEMAYIDKRNHOD-UHFFFAOYSA-N 427.887 6.488 30 10 IKEE C=CCOc1ccc(C=CC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1OC 2054110628 JDQMKGJZZKKWAG-UHFFFAOYSA-N 434.561 5.289 30 10 IKEE C=CCCCCC[C@@H](NC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071251966 JEIVTBGMKVYQBT-HHHXNRCGSA-N 429.604 7.242 30 10 IKEE N#C[C@@H](NC[C@H]1CCCO1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071261503 VTAPLYRONPBAEP-JWQCQUIFSA-N 428.532 5.178 30 10 IKEE C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2076318629 PVGRDUIBJOFYIG-XDHUDOTRSA-N 447.551 5.497 30 10 IKEE Cc1ccc([C@H](n2nc(C3CCC3)c(C#N)c2I)C2(C)CC2)c(C)c1 2079037760 ONPHCXXDKUTCPB-IBGZPJMESA-N 445.348 5.633 30 10 IKEE CC[C@@H](c1ccc(C2CC2)cc1)n1nc(C2(C)CC2)c(/C=N/O)c1I 2079053021 YIPRTJHXUPMUDB-QQZPLFJDSA-N 449.336 5.224 30 10 IKEE CC(C)(C)c1nn(-c2ccc(F)cc2C(F)(F)F)c(C(F)(F)F)c1Br 2079137818 QPRFSOMGDZVTPM-UHFFFAOYSA-N 433.165 6.109 30 10 IKEE CC(C)(C)OC(=O)c1nn(-c2cccc(C(F)(F)F)c2F)c(C(F)(F)F)c1Cl 2079183035 ITETXKGZSPYZFZ-UHFFFAOYSA-N 432.723 5.658 30 10 IKEE CCc1nn([C@@H](CC)c2ccc(C3CCC3)cc2)c(I)c1C=NO 2079906451 QLCVCJSLYKQAJX-SFHVURJKSA-N 437.325 5.125 30 10 IKEE CCc1nn([C@H](c2ccc(C3CCC3)cc2)C2CC2)c(I)c1C#N 2079927696 UXVWQQZTNRUZEV-LJQANCHMSA-N 431.321 5.189 30 10 IKEE CC(C)(C)[C@H](c1ccc(C(F)(F)F)cc1)n1nc(C(F)(F)F)c(C=NO)c1Cl 2079932503 MBDROZBAMZZIKG-ZDUSSCGKSA-N 427.776 6.018 30 10 IKEE CCc1nn([C@H](c2ccc(OC(C)C)cc2)C2(C)CC2)c(I)c1C#N 2080108039 XFRVTGUMEQYSMC-GOSISDBHSA-N 449.336 5.098 30 10 IKEE COc1ccc([C@@H](C2CCC2)n2nc(C(F)(F)F)c(C#N)c2Br)cc1F 2080119805 QJKGLYDWJJEYFU-CQSZACIVSA-N 432.215 5.073 30 10 IKEE C#C[C@@H](NCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C1CCCC1 2083607311 DQZXGJXZPZHRBS-HHHXNRCGSA-N 425.572 6.126 30 10 IKEE CN(Cc1ccccc1NC(=O)OC(C)(C)C)c1ccc(C#N)c(Br)c1F 2174814028 CPNUYMADRIKLDN-UHFFFAOYSA-N 434.309 5.443 30 10 IKEE Cc1ccc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)c(Br)c2)cc1C#N 2199370932 BTKYHHVYQQHDFY-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)[C@@H]1C[C@@H]1C1CCOCC1 2200289573 BCUNIMQAEPIXIL-GUDVDZBRSA-N 435.362 5.145 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(C)c(Br)cc1C 2201064550 YMWIRTHELCNZOA-UXHICEINSA-N 437.422 5.413 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1sc(C)c(C)c1Br 2221841059 NMQIEZXFNKPPOU-ZBFHGGJFSA-N 431.440 5.638 30 10 IKEE CC1(C)OB(c2cnc(SCCCCCCC3CC3)c(Br)c2)OC1(C)C 2239332750 ZKVAKTVYRMQKQD-UHFFFAOYSA-N 440.256 5.596 30 10 IKEE N#Cc1cccc(Br)c1NCc1c(Br)cccc1Br 2269689598 DGYFFDFEKFXEGH-UHFFFAOYSA-N 444.952 5.458 30 10 IKEE C=CC[C@@]1(COc2cc(C)c(N)cc2Br)CCCN(C(=O)OC(C)(C)C)C1 2287760918 QWTAZKLUEBNQAN-OAQYLSRUSA-N 439.394 5.312 30 10 IKEE CCN1C(=O)C(=Cc2ccc(Cl)cc2Cl)SC1=Nc1ccc(C(=O)OC)cc1 2293724500 OBPBUAWGQFZUQD-UHFFFAOYSA-N 435.332 5.404 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)CC 2296219675 QQEGIMCYZMXPJE-UXPWSPDFSA-N 437.422 5.108 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)C[C@@H](NC(=O)OC(C)(C)C)C(C)C 2296284042 MTDXGKWHWGHBOF-VQTJNVASSA-N 437.422 5.108 30 10 IKEE CCc1ccc(NC(=O)OC(C)(C)C)c([C@@H](O)C#Cc2ccc(Br)cc2)c1 2296284795 UVKFLJZCRKTACV-FQEVSTJZSA-N 430.342 5.444 30 10 IKEE CCCCCCCCCCCCOC(=O)C=Cc1ccc(C=Nc2ccc(O)cc2)cc1 2297535747 AYHIVNPGXMQGOA-UHFFFAOYSA-N 435.608 7.620 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(-c3cc(Cl)c(Cl)cc3Cl)o2)SC1=S 2297577633 IOSPOYIUCWSUSW-UHFFFAOYSA-N 430.765 6.294 30 10 IKEE CCN1C(=O)C(=C2Sc3ccccc3N2C)SC1=Nc1ccc(N(CC)CC)cc1 2297707872 UNEJTHSEQQPIHS-UHFFFAOYSA-N 438.622 5.527 30 10 IKEE Cc1ccc(CN2COc3c(cc4c(c3C)OC(=Cc3cccc([N+](=O)[O-])c3)C4=O)C2)cc1 2322307640 YRYKQHSFQIQYMN-UHFFFAOYSA-N 442.471 5.180 30 10 IKEE Cc1ccccc1C=C1Oc2c(cc3c(c2C)OCN(CCCCc2ccccc2)C3)C1=O 2322450176 RMCRWAIPJALABH-UHFFFAOYSA-N 439.555 6.094 30 10 IKEE CC1(C)OB(c2ccccc2OCc2sc(Cl)cc2Br)OC1(C)C 2322453794 BBWSDSWFRBCCAU-UHFFFAOYSA-N 429.572 5.042 30 10 IKEE O=C(COc1ccc2ccccc2c1C=CC(=O)c1cccc(Cl)c1)Nc1nccs1 2322524814 FHLAUPUNMGNNHY-UHFFFAOYSA-N 448.931 5.863 30 10 IKEE O=C(COc1ccccc1C=CC(=O)c1cc(Cl)ccc1Cl)NCc1ccco1 2322999430 GLRBRBBPBZUJFY-UHFFFAOYSA-N 430.287 5.178 30 10 IKEE O=C(C=Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1)c1cccc([N+](=O)[O-])c1 2323046663 DGRNSEHVWZPNJJ-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE O=C(COc1ccc(Cl)cc1Cl)Oc1ccc2c(c1)OC(=Cc1cccs1)C2=O 2323087573 JVRDVGMKIBZSAZ-UHFFFAOYSA-N 447.295 5.656 30 10 IKEE COc1c(Br)cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1Br 2323370982 MZHZZQOFFHJJGE-UHFFFAOYSA-N 441.075 5.025 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1 2323864691 IGGGLTIAXOVFKH-UHFFFAOYSA-N 432.859 5.740 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2F)C3=O)c1 2323895812 VAQBFXKWNMZRJO-UHFFFAOYSA-N 446.430 5.285 30 10 IKEE CCOc1ccccc1C=C1Oc2c(CN3CCOc4ccccc43)c(O)cc(C)c2C1=O 2324155856 DCAKKJPBGDANRK-UHFFFAOYSA-N 443.499 5.115 30 10 IKEE O=C1C(=Cc2c(Cl)cccc2Cl)Oc2cc(OCCCOc3ccccc3)ccc21 2324234405 WEULWXOZCMEELW-UHFFFAOYSA-N 441.310 6.458 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OCc3cccc(Cl)c3)cc2)cc1C(C)C 2324261749 PEQMMAAGBIRBJE-UHFFFAOYSA-N 434.963 7.256 30 10 IKEE C=CCOc1ccc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc1Br 2324262505 ZZJIAFDTQQRNAX-UHFFFAOYSA-N 429.354 6.350 30 10 IKEE Cc1cc(O[C@H](C)C(=O)OC(C)C)cc2c1C(=O)C(=Cc1cccc(Br)c1)O2 2324305240 LPGDOUCUKRLESI-CQSZACIVSA-N 445.309 5.093 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccccc2F)C3=O)cc1 2324478189 FTZBHYLEASOFOY-QGZVFWFLSA-N 445.490 5.719 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccc(C(C)C)cc4)c3C)C2=O)o1 2325318878 ZVRSKJUGKZIFSX-UHFFFAOYSA-N 431.488 5.654 30 10 IKEE COc1ccc(C=C2Oc3cc(OCc4ccc(C(=O)OC(C)C)o4)cc(C)c3C2=O)cc1 2325385321 QLUTXLCJDHTTJP-UHFFFAOYSA-N 448.471 5.357 30 10 IKEE Fc1ccccc1CSc1nnc(Cc2ccccc2)n1N=Cc1ccc(Cl)cc1 2325485947 RXJRRVJEKGITHO-UHFFFAOYSA-N 436.943 5.836 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1cc(Cl)c(O)c(OC)c1 2325541163 MQMUZWJUYJTOJU-UHFFFAOYSA-N 430.961 5.081 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1OC(=O)c1cccc(C)c1 2325708449 SKUIWOYMZJZYDZ-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE CCc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2sccc2C)C3=O)cc1 2325723046 VZFBFVPJJDACIE-UHFFFAOYSA-N 433.529 5.561 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1OC(=O)c1cc2ccccc2n1C 2325751087 PNLLUFJJHBQJNC-UHFFFAOYSA-N 429.447 5.441 30 10 IKEE CCCCCCOc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(F)cc3)c2)cc1 2325751268 BOLKFXXBUSLVEO-UHFFFAOYSA-N 446.518 6.900 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(OC)c(OCC)c1 2326272595 PHKNPMOFKTVEAZ-UHFFFAOYSA-N 442.560 5.342 30 10 IKEE CCOc1cc(C=Nn2c(CC)nnc2SCc2cc(C)ccc2C)cc(Cl)c1O 2326592201 PDQSJXZYRBJGOA-UHFFFAOYSA-N 444.988 5.390 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2C)n1N=Cc1ccccc1Cl 2327117259 LCKVEMIREWVDKD-UHFFFAOYSA-N 428.989 5.636 30 10 IKEE CCCSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1cn(C)c2ccccc12 2327208427 QOATXWNESLALRT-UHFFFAOYSA-N 447.608 5.474 30 10 IKEE COc1ccc(CCc2nnc(SCc3ccc(C)cc3)n2N=Cc2ccccc2)cc1 2328570750 IDRGGZDHRILZRZ-UHFFFAOYSA-N 442.588 5.555 30 10 IKEE Cc1cccc(C=Nn2c(SCc3ccccc3C)nnc2-c2ccccc2Cl)c1 2329538751 CGRMEMVNWUVWEG-UHFFFAOYSA-N 432.980 6.390 30 10 IKEE Cc1ccc(O)c(C=Nn2c(COc3ccccc3)nnc2SCc2ccccc2F)c1 2329919058 BPUBLVNWTHMKHX-UHFFFAOYSA-N 448.523 5.185 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl 2330627026 APAYGTGGCUJNTJ-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3C)c(OC)c2)c1 2330800232 HQNSCPPUOUYBQT-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OC(=O)C(C)(C)C 2330821810 CAWDLRIAIAYPLL-UHFFFAOYSA-N 447.358 6.578 30 10 IKEE COc1cccc(C=Nn2c(CC(C)(C)C)nnc2SCc2cccc(F)c2)c1OC 2330832867 GBKSQPGOOBPZCM-UHFFFAOYSA-N 442.560 5.198 30 10 IKEE Cc1ccsc1C=Nn1c(SCc2cccc3ccccc23)nnc1[C@@H]1CCCO1 2330979526 DKZVEZRSICMWGC-FQEVSTJZSA-N 434.590 5.827 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)[C@H]2C[C@H]2c2ccccc2Cl)cc1 2331051748 IPLVHMKDNYWGLK-VXKWHMMOSA-N 432.903 5.954 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccccc3OC)cc2Cl)c1 2331063793 XBWXMNMHEHLBBL-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccccc3F)nnc2C2CCCC2)c1OC 2331070769 HQMNDEOYZAYWLB-UHFFFAOYSA-N 440.544 5.267 30 10 IKEE Cn1cccc1C=Nn1c(SCc2ccc(Cl)cc2Cl)nnc1C(F)(F)F 2331156565 BCVPUCPUEJYSLQ-UHFFFAOYSA-N 434.274 5.117 30 10 IKEE CCSc1nnc(-c2ccco2)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2331193178 SVYRHZCYEZIEGB-UHFFFAOYSA-N 438.940 5.765 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OC(=O)c1ccc(F)cc1F 2331231770 ZZUGFXKXLSUJCA-UHFFFAOYSA-N 436.454 6.096 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1ccc([N+](=O)[O-])cc1 2331259921 SZITZPAZRVPXPJ-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)cc2)ccc1F 2331331980 QFAHGWSQLUWXRY-UHFFFAOYSA-N 429.274 6.556 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CCCC)nnc1SCc1ccccc1Cl 2331339268 TYYRYSDNKBADOG-UHFFFAOYSA-N 441.000 6.013 30 10 IKEE CCCCc1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1ccc(C(C)C)cc1 2331339897 IPHZXKKJDQCYSV-UHFFFAOYSA-N 441.645 5.167 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(F)c2)ccc1OC(=O)c1cccc(C)c1 2331464036 RDLMWOJXNDACBO-UHFFFAOYSA-N 434.463 5.657 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)Cc1ccc(C)cc1 2331510505 QNPVACWOQVDFLI-UHFFFAOYSA-N 438.882 5.840 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)cc1)c1ccc(F)c(F)c1 2331555266 WZRBEMRTTMKTOH-WOJBJXKFSA-N 438.857 6.223 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)c1C 2331643844 WUCGKLIKGVHFEH-UHFFFAOYSA-N 434.535 7.189 30 10 IKEE CC(C)c1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2331675099 VHFBTXSTTWBQHB-UHFFFAOYSA-N 433.896 5.277 30 10 IKEE N#Cc1nc(-c2cccs2)oc1NN=Cc1c(O)ccc2cc(Br)ccc12 2331938179 MFNYFGAHOABHRG-UHFFFAOYSA-N 439.294 5.342 30 10 IKEE O=[N+]([O-])c1cccc(/C=C/C=N/c2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)c1 1878387 OYMUASZMFJSUGE-HGAXPLMXSA-N 438.270 7.126 30 10 IKEE O=S(=O)(NC1CCCCC1)c1ccc(/N=C/c2c3ccccc3cc3ccccc23)cc1 13977445 NLPWMYMNQDVACP-TURZUDJPSA-N 442.584 6.355 30 10 IKEE COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)cc1O 21220751 QSKLVSSAEVUZSJ-MRDQGFSESA-N 430.479 5.519 30 10 IKEE Cc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2ccccc2C#N)cc1C 33050718 NEMXNQAOHGKEHZ-UHFFFAOYSA-N 426.545 5.304 30 10 IKEE COc1ccc(NC(=O)[C@@]23CC[C@@](C)(/C(=N/OC(=O)c4ccc(C)cc4)C2)C3(C)C)cc1 33939668 FIMZGZBAYRBUPC-MFQKGCEASA-N 434.536 5.372 30 10 IKEE COc1ccccc1/C=C1/Oc2cc(OCc3c(Cl)cccc3Cl)ccc2C1=O 34898111 OQVRYBNZGNDUOL-SSDVNMTOSA-N 427.283 6.197 30 10 IKEE COc1ccccc1C(=O)O/N=C1\CC(C)(C)Cc2c1cc(C)n2-c1ccc(Cl)cc1 39853217 MDDXAPYYGANCPM-SZXQPVLSSA-N 436.939 5.981 30 10 IKEE C=CCc1ccccc1OCCn1c(-c2ccc(Br)cc2)nc2ccccc21 40249576 KWQFVUJQFGRDPU-UHFFFAOYSA-N 433.349 6.273 30 10 IKEE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1/C(=N/Nc1ccc(F)cc1)CCC2 40823836 WWIKWJSZGTYKQK-MTDXEUNCSA-N 446.309 6.439 30 10 IKEE CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O 62240031 CGNVIRPGBUXJES-UHFFFAOYSA-N 436.809 11.128 30 10 IKEE endogenous,in-man CCCCCCCOc1ccc(NC(=O)CNc2cccc(C(=O)NCCCC)c2)cc1 100098876 QVDVGCPYXBEANZ-UHFFFAOYSA-N 439.600 5.616 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(N2CCCC2)c1[N+](=O)[O-] 101468491 YBBROOPANFKMJY-UHFFFAOYSA-N 433.641 6.878 30 10 IKEE CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N/c1cccc(Br)c1 102150082 GJKATFMHINJSFU-DWNWEZKESA-N 446.395 5.443 30 10 IKEE CCCCCCCn1c([C@@H]2CC(=O)N(c3ccc(CCCC)cc3)C2)nc2ccccc21 102211180 PAHWZJLOJPQPAK-HSZRJFAPSA-N 431.624 6.870 30 10 IKEE O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@@H](c2ccccc2)/C1=C(/O)c1ccccc1 103098373 SBBXHXHFEBWASW-LCPUNJGISA-N 430.460 5.062 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cc(C)cc(C)c2)cc1 169922442 NEYDXDKRFCSSGA-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccc(O)cc2)c1 169960044 HHZYJQRVYVLPQV-DEOSSOPVSA-N 443.499 5.191 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccc(O)cc1)c1cc2ccccc2o1 169961693 OSTSVZFQOOGEEK-QFIPXVFZSA-N 445.858 5.575 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2c2ccc(Cl)cc2)c1 169969853 OXLYLQIDGCSYEK-JOCHJYFZSA-N 447.874 5.160 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2cccc(O)c2)cc1C 170080813 QWLRNMUTQSGSIO-SANMLTNESA-N 449.506 5.945 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1cccc(O)c1)c1cc2ccccc2o1 170081066 ZZDHVLYYAZKGPU-JOCHJYFZSA-N 445.858 5.575 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccc(C)c2)ccc1Cl 170142666 KGSZFADNMWUDFL-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccc(C)c2)cc1 170142860 MBNKEJGUEIJXDQ-RUZDIDTESA-N 441.527 5.875 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)[C@H]2c2cccs2)cc1 170159764 UPSXNYDHWOVXCY-OAQYLSRUSA-N 449.915 6.239 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2cccs2)c1 170160630 HXMMJFVWXHRQJX-QHCPKHFHSA-N 447.556 5.937 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccncc1)c1cccc2ccccc12 170199646 DICBDCVWSAKQFM-HSZRJFAPSA-N 442.421 5.296 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1ccccc1)c1ccc2c(c1)CCCC2 170229099 VIXOSZCXBCKRJZ-XMMPIXPASA-N 445.465 5.627 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@@H]1c1ccc(Cl)cc1 170236065 HHYMRQGROUKSHJ-FQEVSTJZSA-N 448.346 5.771 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1ccc(Cl)cc1 170236073 ZZOFZKWUAPXQGT-NRFANRHFSA-N 427.928 5.506 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1)c1cc2ccccc2o1 170238554 XCUNNQRNOIRNJF-JOCHJYFZSA-N 431.394 5.494 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@H]1c1ccc(C(C)C)cc1 170245288 TUKSMKFFNSNMLK-JOCHJYFZSA-N 441.955 5.850 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2ccccc2F)cc1 170252933 XLYDSMFQOANNDT-JOCHJYFZSA-N 425.500 5.383 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@@H]1c1c[nH]c2ccccc12 170255530 BCSRCHQWXFMFSB-DEOSSOPVSA-N 446.547 5.678 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccc(O)c1 170259839 JZJIMEFJLDDYLF-QHCPKHFHSA-N 425.440 5.230 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3c(OC)cccc3OC)=C(O)C(=O)N2c2ccccc2)cc1 170265539 DJUFQOKBAAZTEB-XMMPIXPASA-N 443.499 5.049 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@H]1c1ccc(CC)cc1 170267600 TXXCKNXIOVOKPT-XMMPIXPASA-N 449.591 5.934 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccco2)c1 170282045 GJPCGTLIDONXRK-LJQANCHMSA-N 445.805 5.003 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)[C@H]2c2ccco2)c1 170289184 YGYMQKPDLNCMDF-OAQYLSRUSA-N 449.846 5.476 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2ccc(F)cc2)o1 170299690 ZIRVOYMLSCXKOQ-QHCPKHFHSA-N 427.431 5.663 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccc(C)o2)cc1OC 170302027 DMBVAMXDHVUBDO-HSZRJFAPSA-N 447.487 5.005 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccc(C)o2)c(C)c1 170303358 GXBBSAJNLGCKDU-NRFANRHFSA-N 437.879 5.341 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccc(C)o2)cc1C 170304934 MZZGGXRWGJAHGH-QHCPKHFHSA-N 431.488 5.305 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(C)o2)c(C)c1 170304968 YIJKBXRXTFRCDX-XDHUDOTRSA-N 443.499 5.311 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1C1CCCCC1 170317483 RHZBAOCTXFIPEZ-JOCHJYFZSA-N 435.589 5.846 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2cccc(C)c2)cc1 170341979 OFMVTHPEEYHBGN-XMMPIXPASA-N 441.531 5.019 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(Cl)c1)c1cccs1 170420551 UZXPHCXYDFYEOQ-IBGZPJMESA-N 443.883 5.025 30 10 IKEE CCCCCCCOc1ccc(NC(=S)NC(=O)/C=C\c2ccc(OCC)cc2)cc1 206819472 PZKSQPSLFAJKRK-WQRHYEAKSA-N 440.609 5.961 30 10 IKEE C=CCN1C(=O)/C(=C2\SC(=Nc3ccccc3)N(c3ccccc3)C2=O)c2ccccc21 252595046 BXXRDAYKUQBRGG-SHXUIJRESA-N 437.524 5.398 30 10 IKEE COc1ccc(C=Nc2ccc(-c3ccc(N=Cc4ccc(OC)cc4)c(C)c3)cc2C)cc1 254308245 QFJKAORJZKYRHP-UHFFFAOYSA-N 448.566 7.489 30 10 IKEE CCc1ccc(C(/C=C/c2ccc(F)cc2)=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 254485946 IKZXOSWMKYTPPV-HPDSYPGNSA-N 434.427 5.734 30 10 IKEE ON=C1CCC=CCCC=CCC[C@@H]1Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 254698157 PNKVELXQIAPQHQ-DEOSSOPVSA-N 444.600 7.766 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)cc1Cl)NCC 406136074 PBAZBBCPIQKLCO-DLBZAZTESA-N 431.802 5.093 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526608012 CAJIMXCRYCMKFQ-AREMUKBSSA-N 437.543 5.770 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)cc1 526708187 LZJJRYDRIRBVGV-QHCPKHFHSA-N 445.946 6.420 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1c(C)[nH]c2ccccc12 526812872 PMCNLGZVZXAHDT-QFEZKATASA-N 438.000 6.238 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)N3CCCC[C@H]3CC)C2)c1 585966428 NBKHRGGUFHQOCP-XZOQPEGZSA-N 440.632 5.103 30 10 IKEE 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 698416303 DEFTUKXYIQQIDL-RHRGGMMZSA-N 445.604 5.094 30 10 IKEE COc1ccc(Br)cc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(C)cc1 710779006 STSZNFIVJGIODV-SFHVURJKSA-N 431.330 5.773 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CC[C@H](CNC(=O)OC(C)(C)C)C1 724066649 CYUQNRXQEWZPKB-MHECFPHRSA-N 429.561 5.324 30 10 IKEE CSCc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)cc1 724752366 OAXMJAZLZINGKW-IBGZPJMESA-N 447.398 6.318 30 10 IKEE O=[N+]([O-])c1cc(C=NNc2nnc(-c3ccccc3)c(-c3ccccc3)n2)ccc1Cl 1082990330 KCRYFDIOJUZPOL-UHFFFAOYSA-N 430.855 5.213 30 10 IKEE CC(C)c1ccc(NC(=O)CSc2nc3ccc(N=Cc4ccccc4)cc3s2)cc1 1084059972 ZJNXSDYHRYGJTH-UHFFFAOYSA-N 445.613 6.901 30 10 IKEE C#CCOC(=O)/C=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 1084308530 HUTAAARNVKCQLN-DAXSKMNVSA-N 425.695 5.424 30 10 IKEE O=[N+]([O-])c1ccc(Nc2cccc(N=Cc3cc(Cl)cc(Cl)c3O)c2)c([N+](=O)[O-])c1 1565517752 VFGMIZXSABPQOD-UHFFFAOYSA-N 447.234 6.010 30 10 IKEE CCOc1ccc([C@@H]2[C@H](C(=O)c3ccccc3)N3C=Cc4ccccc4[C@H]3C2(C#N)C#N)cc1 1614986950 BLEBMOZJPYXVTH-GTNKKZTPSA-N 445.522 5.495 30 10 IKEE C=CCCCCn1c(-c2ccccc2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1760424207 ZZWDQMZWMKVOTI-UHFFFAOYSA-N 434.569 5.038 30 10 IKEE CCCCOc1ccc(/C=C2\SC(=Nc3nc(C)cs3)N(CC)C2=O)cc1OC 1772732901 FFGGVRDYENMPQT-AQEWOIMGSA-N 431.583 5.263 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=Nc1nc(-c2ccccc2)cs1 1772740344 ZSAUFYFJTSZHMY-GIFQUSADSA-N 448.529 5.508 30 10 IKEE COc1ccccc1C=NN=C1S/C(=C\c2ccccc2C)C(=O)N1Cc1ccco1 1772758132 YCRFEXKUVGRSPU-KGXKECERSA-N 431.517 5.103 30 10 IKEE Fc1cccc(NC(=S)N/N=C\c2cn(-c3cccc(F)c3)nc2-c2cccs2)c1 1857808945 NKIJSHFDOGHTQL-MSXFZWOLSA-N 439.516 5.200 30 10 IKEE C=CCN(CC=C)c1cc(-c2cc3cnccc3c(NCCC3=CCCCC3)n2)ccn1 1857837862 XOKUAJHWQQUEHH-UHFFFAOYSA-N 425.580 6.173 30 10 IKEE N#Cc1cccc(C(=O)NCc2ccc(OC(=O)Nc3cc(Cl)ccc3Cl)cc2)c1 1858912996 LHZROSXXCDTFMN-UHFFFAOYSA-N 440.286 5.406 30 10 IKEE CCSc1ccccc1C(=O)Nc1c(C#N)cnn1-c1cc(C)c2cccc(C)c2n1 1859656968 LQVDUGVTMUKRNC-UHFFFAOYSA-N 427.533 5.273 30 10 IKEE CC(C)c1ccc2oc(-c3cccc(C(=O)Nc4sc5c(c4C#N)CCC5)c3)nc2c1 1859749313 RDGBBMRIEIAYFT-UHFFFAOYSA-N 427.529 6.292 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccc(Cl)cc1 1861052381 FLTBJEBTBLOHAW-JOCHJYFZSA-N 432.967 5.297 30 10 IKEE CCCCCCCCNC(=O)[C@@H](NC(=O)c1cc(Cl)ccc1Cl)c1ccccc1 1861759784 ADKXFUFXKPNNMA-NRFANRHFSA-N 435.395 5.941 30 10 IKEE CCOc1ccc(-c2nc3ccc(C(=O)Nc4ccccc4C#N)cc3[nH]2)cc1OCC 1861860824 WZURVBIQNBIWBN-UHFFFAOYSA-N 426.476 5.151 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCCC)cc1 1862484068 IFVMJEYZQBLGJF-RUZDIDTESA-N 449.591 6.333 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCC2)cc1OCC 1862485006 UXGLQHLEXDVCQM-XMMPIXPASA-N 449.547 5.313 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc2cc[nH]c2c1 1862491457 UJMOXBAYRIWCBT-XMMPIXPASA-N 430.548 5.943 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(C(=O)O)cc1 1862493012 GGQISJJJNDDTAN-JOCHJYFZSA-N 435.520 5.160 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@@H](C)CC)cc1OC 1862496236 GEBPGWRWHMDHIB-GAJHUEQPSA-N 437.536 5.088 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862507649 QIMGOZINWTYJLT-KOSHJBKYSA-N 429.491 5.782 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(N(C)C)cc1 1862583261 WULWQQVCWQHFNU-HXUWFJFHSA-N 447.362 5.294 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CC(C)C)cc1 1862622294 HFGYFBRUERFLQR-DEOSSOPVSA-N 449.591 6.007 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(Cl)c(Cl)c1 1862634190 VTIBJUMBJKQJPK-WLRWDXFRSA-N 448.302 5.099 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2cccc(Br)c2)cc1 1862669782 FJKWGWSYJFDQET-FQEVSTJZSA-N 442.353 5.559 30 10 IKEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(C)cc2)cc1 1862674331 MBAPIDIVJXVJDG-BXKMTCNYSA-N 445.490 5.482 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@H]1c1ccc2cc[nH]c2c1)c1ccc(F)cc1 1862677567 CLASYBMNQWHLHF-QHCPKHFHSA-N 444.437 5.225 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862688280 UQZSDTCCLQFMDL-XMMPIXPASA-N 445.490 5.175 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc(Cl)c1 1862712075 IZOBQWBWPKRAKU-QHCPKHFHSA-N 433.935 6.118 30 10 IKEE N#Cc1ccc(NC2=C(c3ccc(Cl)c(Cl)c3)C(=O)N(Cc3ccccc3)C2=O)cc1 1863283652 FBFWJKKSJXTOMD-UHFFFAOYSA-N 448.309 5.257 30 10 IKEE CCCCCCCCN1C(=O)C(NCC(C)C)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863632928 KPTZDLHAFKDMLY-UHFFFAOYSA-N 425.400 5.679 30 10 IKEE C[C@H](c1cccs1)N1CCN(c2cc(Nc3cccc(C#N)c3)nc(C(C)(C)C)n2)CC1 1868333398 IRDZWNPMDWFQGU-GOSISDBHSA-N 446.624 5.334 30 10 IKEE C=CCn1cc(OCc2c(Cl)cccc2Cl)c(=O)cc1CSc1ccccn1 1870163028 FHEHBEVNYRIFJB-UHFFFAOYSA-N 433.360 5.607 30 10 IKEE CCCCCCCOc1cn(CCC(C)C)c(CNc2cccc(C(C)(C)C)c2)cc1=O 1870833823 VGKXFODJTGQBET-UHFFFAOYSA-N 440.672 7.153 30 10 IKEE C=CCn1cc(OCCCCCCC)c(=O)cc1CNc1cc(NC(C)=O)ccc1C 1870836021 KXPOAPZACJPGQV-UHFFFAOYSA-N 425.573 5.262 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(C)cc2)c(CNc2cc(C)ccc2C)cc1=O 1870839331 IKIWYIXFTUDJQZ-UHFFFAOYSA-N 446.635 6.783 30 10 IKEE CCCCCCCOc1cn(CCCCCC)c(CNc2ccc3c(c2)OCO3)cc1=O 1870839684 XHRRFFFQEZRRHB-UHFFFAOYSA-N 442.600 6.119 30 10 IKEE C=CCn1cc(OCc2ccccc2Cl)c(=O)cc1CNc1ccc(N2CCCC2)cc1 1871242800 WPNXSWKJJLSMNJ-UHFFFAOYSA-N 449.982 5.479 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871369888 KACRELRUHCWTHT-XKZIYDEJSA-N 434.875 5.557 30 10 IKEE Cc1cc(OC(=O)Cc2ccc(F)cc2)cc2c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O2 1871371661 BPVJKCXURHRPOG-OYKKKHCWSA-N 444.502 6.196 30 10 IKEE CN(C)c1ccc(/C=C2\Oc3cc(OC(=O)c4c(F)cccc4Cl)ccc3C2=O)cc1 1871375586 UBTCIFOFKUGCEP-MTJSOVHGSA-N 437.854 5.381 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc(OC(C)C)cc3)ccc2C1=O 1871388004 GHQWDMUMLYKWNM-OYKKKHCWSA-N 430.456 5.318 30 10 IKEE Cc1cccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2cccs2)C3=O)c1C 1871413801 OUPFBXVTYMWKRX-VYZAVGSRSA-N 433.529 5.696 30 10 IKEE Cc1cc(OCCOc2ccccc2F)cc2c1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O2 1871417240 PBHRKOJJGBFOTJ-XKZIYDEJSA-N 435.407 5.116 30 10 IKEE CC(C)=C1Oc2cc(OCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)ccc2C1=O 1871458826 JJBTXRXMWZAVFI-UHFFFAOYSA-N 425.790 5.245 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(Cc2ccccc2)cc1)S(=O)(=O)CCC 1872281406 LHGXPMUCESLQFQ-DEOSSOPVSA-N 442.625 5.003 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)cc1C)C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1872519338 FUTGERAVUSUQBF-JOCHJYFZSA-N 449.016 5.187 30 10 IKEE Cc1ccccc1OCCCC(=O)[C@H](C#N)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872759966 DPZXZRJLOAHJMI-QFIPXVFZSA-N 430.573 6.033 30 10 IKEE CCCCCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3OC)cs2)cc1 1872762967 BDASCDAXWSZQDI-OAQYLSRUSA-N 434.561 6.268 30 10 IKEE N#C[C@@H](C(=O)Cc1ccc(Cl)cc1)c1nc(-c2cccc(Br)c2)cs1 1872764182 GCTAUCGXSDTXKZ-INIZCTEOSA-N 431.742 5.645 30 10 IKEE CC(C)(C)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 1872770391 RTYZKODYXXXHPQ-MRXNPFEDSA-N 429.372 6.904 30 10 IKEE Cc1ccc(C)c(OCC(=O)[C@H](C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)c1C 1872780964 NWNRHWCCIDBYLE-NRFANRHFSA-N 432.589 6.224 30 10 IKEE Cc1c(CC(=O)Nc2ccc(C#N)cc2)c(=O)oc2c(C)c3occ(C(C)(C)C)c3cc12 1873864418 IJHWHHOIMSDDDM-UHFFFAOYSA-N 428.488 5.506 30 10 IKEE CCCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1ccc(O)cc1 1874202888 FFQWICBGFJFQPB-MFKUBSTISA-N 438.597 5.553 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccccc1F 1874212983 OJRYWUCZFCUZHT-AFUMVMLFSA-N 444.963 5.633 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3Cl)n2/N=C/c2ccc[nH]2)cc1 1874275649 AIZUFHPCZPEAHB-CVKSISIWSA-N 435.984 5.528 30 10 IKEE Fc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2/N=C/c2ccco2)cc1 1874381266 KCAVDDIQRZPNLG-ZMOGYAJESA-N 426.904 5.429 30 10 IKEE Cc1ccsc1/C=N/n1c(CC2CCCCC2)nnc1SCc1ccccc1F 1874408365 SMQBQGUZBIWUJS-ZVHZXABRSA-N 428.602 6.084 30 10 IKEE Cc1ccccc1CSc1nnc(-c2cccs2)n1/N=C/c1c(F)cccc1Cl 1874421063 SKWPNGCDHOQGAL-WYMPLXKRSA-N 442.972 6.282 30 10 IKEE Clc1ccc(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2cccnc2)cc1Cl 1874450909 NBAROJHWCYABMW-HPMPDSITSA-N 434.352 5.006 30 10 IKEE COc1ccc(OC)c(/C=N/n2c(SCCc3ccccc3)nnc2C2CCCC2)c1 1874455824 MOVGJRJMOARPEX-KOEQRZSOSA-N 436.581 5.170 30 10 IKEE COCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1cccc(Cl)c1 1874473468 GDHNBZNVUPYBOY-MFKUBSTISA-N 436.968 5.448 30 10 IKEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccc(Cl)cc1 1874477019 FJAMXUJYVVXKBF-LPYMAVHISA-N 429.933 5.357 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccccc1C(=O)O 1874485373 RCRUXYVAFCEEFI-FSJBWODESA-N 428.945 5.102 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(SCc2cccc(Cl)c2)nnc1C(C)C 1874516854 FXBPJHMSZAINPT-ZMOGYAJESA-N 428.989 6.017 30 10 IKEE CCc1nnc(SCCc2ccccc2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874526481 QMLWQAVGOKGTPC-ZXVVBBHZSA-N 442.588 5.637 30 10 IKEE Sc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874566020 GPODJCGERUDWOA-WGOQTCKBSA-N 448.979 5.467 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc3c(c2)CCCC3)c1 1874571880 LBVVEVXBIVPBOP-BUHFOSPRSA-N 439.555 6.096 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCc2ccccc2Cl)cc1 1874576118 XMCAIINXMRURJM-FMIVXFBMSA-N 443.326 6.486 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 1874583755 DZPOAXJVKCUJOY-RUDMXATFSA-N 435.709 7.261 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(F)cc2)c1OCC(=O)Nc1ccc(C)cc1C 1874584230 DHKZKDZERRPCOJ-GXDHUFHOSA-N 433.479 5.365 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)c(Cl)c2)c1 1874605587 VSVBCNWUQSHOMW-VQHVLOKHSA-N 449.934 5.879 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc([N+](=O)[O-])c1OCCc1ccccc1 1874620225 OUYZWMHMYMQUDO-FMIVXFBMSA-N 449.478 5.959 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1C 1874633112 MLWUJEZHDUAHHM-IZZDOVSWSA-N 439.324 6.680 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCCCO)c(Br)c2)c2ccccc12 1874638818 UDDCQGUJFNCUEA-JXMROGBWSA-N 441.321 5.268 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3cccc4ccccc34)c2)cc1 1874695903 YKBQCAIGCXKVEI-LVZFUZTISA-N 448.562 7.227 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3-c3ccccc3)cc2)cc1 1875099882 DEITWHWUMWVPDD-LTGZKZEYSA-N 432.519 7.031 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)c1cc(Cl)ccc1Cl 1875128873 ZCJVWDLPWFDCKG-XYOKQWHBSA-N 441.310 6.507 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1 1875131446 YYJOEGYWRUZYDY-FOWTUZBSSA-N 430.500 5.583 30 10 IKEE CCOc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2)cc1OC 1875157562 DLTWWLANWOECJE-GIDUJCDVSA-N 448.490 5.667 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)c1ccc(C)cc1 1875158827 OWXOLDZJWDPTIC-OVCLIPMQSA-N 430.475 5.987 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)CCc1cccc(OC)c1 1875158871 RHSCRCXBANTHML-VGOFMYFVSA-N 448.490 5.667 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)c(F)c3F)cc2)c(C)c1C 1875168166 VYJLANBJIDBDPL-WUXMJOGZSA-N 440.417 5.845 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)c1ccc(C)c(C)c1 1875175395 NHXUVEUOYHQHIN-FMIVXFBMSA-N 444.527 6.053 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)c1ccncc1 1875177173 YBNVACQOVJMIHU-CSKARUKUSA-N 427.500 5.551 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)c(C)c3)cc2)cc1Cl 1875186859 DXEUNDJNHZKUCD-XYOKQWHBSA-N 434.919 6.010 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cc(OC)c(OC(=O)CC(C)(C)C)c(OC)c2)cc1C 1875187316 YLIUOIDZESZWMV-MDZDMXLPSA-N 440.536 5.567 30 10 IKEE C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2CCc3nc4ncc(-c5ccccc5)cc4cc3C2)c1 1890871077 IAQMHOQOKJLUJB-AVRWGWEMSA-N 432.527 5.211 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)[C@@H](C)c3cccc4ccccc34)ccc21 1891069470 ZNDQKZUMURBMHS-SFHVURJKSA-N 428.532 5.520 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CCCC[C@@]1(C)NC(=O)OC(C)(C)C 1922078579 XTYXLIPWKFPOEN-MVERNJQCSA-N 430.633 5.601 30 10 IKEE C=C(COCc1ccccc1)[C@H](N)c1cc(Cl)c(NC(=O)OC(C)(C)C)c(Cl)c1 1922092755 VWOUUDASQUURIN-IBGZPJMESA-N 437.367 6.113 30 10 IKEE CC1(C)CN(C(=O)OC(C)(C)C)C[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C1 1922785887 RRNANCCITIAELX-HSZRJFAPSA-N 449.617 5.415 30 10 IKEE CC1(C)OB(C2=CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)OC1(C)C 1930701078 XDATXTSTMBXFLT-UHFFFAOYSA-N 431.341 5.199 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)C2(C#N)[C@H](C)CN(Cc3ccccc3)C[C@H]2C)cc1 2037935581 LUVFPYUSXQPUMG-FGZHOGPDSA-N 433.596 5.787 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(Cl)cccc1Br 2041204083 JGXWGWFLCQLUAG-NVXWUHKLSA-N 429.786 5.060 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2ccc(NC(=O)OC(C)(C)C)nc2)cc1 2050053544 KZXKGNLKHWUSAH-LJQANCHMSA-N 438.528 5.743 30 10 IKEE C#C[C@H](C)[C@H](NCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071346425 TUMYQXNLZMFWNE-NUKCWJJBSA-N 429.560 5.125 30 10 IKEE Cc1nn([C@H](c2ccc(C3CCC3)cc2)C2CCC2)c(I)c1C=NO 2079892527 BAGMACYHTWQPBP-IBGZPJMESA-N 449.336 5.261 30 10 IKEE CC(=O)Oc1ccc([C@H](C2CCC2)n2nc(C(C)(C)C)c(C=NO)c2Br)cc1 2080097723 ZJBJPIIEAQPMRY-SFHVURJKSA-N 448.361 5.066 30 10 IKEE Cc1nn(-c2ccccn2)c2c1C(=O)/C(=C/Nc1cc(Cl)c(Cl)c(Cl)c1)CC2 2080385605 SEDCGRHMQDUUDG-ZRDIBKRKSA-N 433.726 5.661 30 10 IKEE CC(C)(C)OC(=O)N1CCC(c2cc(Cl)n3nc(C4CCCCC4)c(C#N)c3n2)CC1 2081414947 JPXHOWXSVXHTJL-UHFFFAOYSA-N 443.979 5.417 30 10 IKEE Cc1sc(C)c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)c1Br 2092954300 XHZXEYRIAQEXJG-OAHLLOKOSA-N 439.350 6.273 30 10 IKEE C=CCC[C@H](C)[C@H](NCCC)c1cc(I)ccc1Br 2102099718 FXSLTLJZZSUCEJ-LRDDRELGSA-N 436.175 5.697 30 10 IKEE CC[C@@H]1CC[C@@H](Nc2ccc(C#N)c(Br)c2F)CN1C(=O)OC(C)(C)C 2105983241 KUXMSGVTJWQHHB-ZIAGYGMSSA-N 426.330 5.050 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)C1(C#N)CC(C)(C)OC(C)(C)C1 2149932745 ATRHEILTLYYDOQ-UHFFFAOYSA-N 437.378 5.821 30 10 IKEE N#Cc1ccc(N[C@H]2CN(Cc3ccccc3)C3(CCCC3)C2)c(F)c1Br 2154514829 DQYIZONFQBXIOG-GOSISDBHSA-N 428.349 5.459 30 10 IKEE C=C(C)CN(Cc1ccccc1)c1c(CN[C@@H](C)CC)ccc(Br)c1Cl 2231458160 DLRMXYFFYVLEHC-KRWDZBQOSA-N 435.837 6.573 30 10 IKEE CC(C)(C)OC(=O)NC[C@H](CC(=O)C#Cc1ccccc1Br)C1CCCC1 2235723086 BDUWCZLEPBZJEQ-SFHVURJKSA-N 434.374 5.091 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCC(=O)O)c1cc(Cl)ccc1Br 2262208312 QPZQWUMRONADTH-LJQANCHMSA-N 425.706 5.018 30 10 IKEE Cc1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c(B2OC(C)(C)C(C)(C)O2)s1 2267537289 ARAWKVWRZWDWJA-UHFFFAOYSA-N 449.381 5.187 30 10 IKEE CN[C@@H](C#Cc1cccc(Br)c1)CCC1(NC(=O)OC(C)(C)C)CCCC1 2296218902 JHHKNGXHRHCBSC-IBGZPJMESA-N 435.406 5.006 30 10 IKEE C[C@H](C(=O)C#Cc1ccc(Br)cc1)c1ccc(NC(=O)OC(C)(C)C)cc1 2296225167 RWLBSGHYWYVTEU-HNNXBMFYSA-N 428.326 5.520 30 10 IKEE COc1cccc(-c2nn(-c3ccccc3)cc2C=NNC(=S)Nc2cccc(F)c2)c1 2296405239 SRDDSAIJGJEJRD-UHFFFAOYSA-N 445.523 5.008 30 10 IKEE CCCCOc1ccc(C(=O)C(=Cc2cccc(OC)c2)c2nc3ccccc3o2)cc1 2296696676 KWKADBTYZZWNIH-UHFFFAOYSA-N 427.500 6.439 30 10 IKEE C=CCNC(=S)N1N=C2C(=Cc3ccc(OC)cc3)CCC[C@@H]2[C@H]1c1ccc(OC)cc1 2296792961 KUDIFHJEAAEZSH-UKILVPOCSA-N 447.604 5.361 30 10 IKEE O=C(C=CNc1cccc(-c2ccccc2NC=CC(=O)C(F)(F)F)c1)C(F)(F)F 2297510242 SJRVXUNODVGNTM-UHFFFAOYSA-N 428.332 5.468 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc3c2[C@@H](c2ccc(F)c(F)c2)CC(=O)O3)C1=O 2297591697 WAORZBROFWIQDM-MRXNPFEDSA-N 434.394 5.031 30 10 IKEE O=C1C(=Cc2ccccc2F)Oc2cc(OCc3c(F)c(F)c(F)c(F)c3F)ccc21 2314438567 XHMRZVUQSPAIOW-UHFFFAOYSA-N 436.307 5.716 30 10 IKEE O=C(C=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccc(-c2ccccc2Cl)o1 2314482906 ZCOHPNQZZPTUIZ-UHFFFAOYSA-N 442.820 7.775 30 10 IKEE CCOc1cc(C=NNc2nc(-c3ccccc3)c(C)s2)cc(Cl)c1OCC(C)C 2318418116 PYSJHPJYYOSSSO-UHFFFAOYSA-N 444.000 6.651 30 10 IKEE Oc1ccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C2CC2)c(O)c1 2320867912 YWIZLMRPXYTMRW-UHFFFAOYSA-N 435.336 5.048 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc4c3CN(CCc3c[nH]c5ccccc35)CO4)C2=O)c1 2321911254 BNKDODDRVPKJLX-UHFFFAOYSA-N 436.511 5.487 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3c(ccc4c3CN(Cc3ccncc3)CO4)C2=O)cc1 2321978851 KDRWOMSRJNXBJH-UHFFFAOYSA-N 426.516 5.347 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc4c(c1)OCO4)O3)CN(C1CCCCCC1)CO2 2322083103 MJKBOLDIYXBOBC-UHFFFAOYSA-N 433.504 5.215 30 10 IKEE COc1ccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3cc(C)ccc3C)C4)C2=O)cc1 2322408300 LCMOZSKHMUUHPC-UHFFFAOYSA-N 441.527 5.589 30 10 IKEE Cc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2c(F)cccc2Cl)c(C)c1 2322572734 ZMVREBIHGFGBTM-UHFFFAOYSA-N 429.318 7.224 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc(F)cc4)c3C)C2=O)cc1 2322781921 ZNXRXKYMKIXGSR-UHFFFAOYSA-N 445.490 5.816 30 10 IKEE Cc1cc(OC(=O)c2cc3ccccc3o2)cc2c1C(=O)C(=Cc1cn(C)c3ccccc13)O2 2322842683 SJITYWWCRBUVKV-UHFFFAOYSA-N 449.462 6.068 30 10 IKEE CCCOC(=O)COc1ccc(Br)cc1C=CC(=O)c1ccc(C)c(C)c1 2322884688 PWCOQMFBCHREOO-UHFFFAOYSA-N 431.326 5.294 30 10 IKEE COc1cccc(C=CC(=O)c2cc(Cl)ccc2Cl)c1OCc1ccccc1Cl 2323005048 CEVYCHXCFGTSLX-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1OCc1cccc2ccccc12 2323126394 JZDYGOPIOOGIDE-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OCc2cc(C)ccc2C)c1 2323230125 MHPCJMUDSKSIRJ-UHFFFAOYSA-N 428.572 7.085 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OC)c(OC)c1Br 2323289093 RSOAGHLOCSRMMP-UHFFFAOYSA-N 425.706 5.333 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCc3ccc(C(=O)OC)o3)c([N+](=O)[O-])c2)cc1 2323471556 VWMRHGTUFQJUMU-UHFFFAOYSA-N 435.432 5.012 30 10 IKEE CCCCCCCCCCN1C(=O)C(=Cc2ccc(OC)c(OCC)c2)SC1=S 2323720716 AEGXHDFSNGDBOQ-UHFFFAOYSA-N 435.655 6.436 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)cc(Cl)c1OCc1ccccc1 2323999587 KWPWPMITUKIUDA-UHFFFAOYSA-N 436.935 6.531 30 10 IKEE CCCCN(CCCC)Cc1c(O)cc(C)c2c1OC(=Cc1cn(C)c3ccccc13)C2=O 2324077884 RXEHUECLKGLMQQ-UHFFFAOYSA-N 446.591 6.211 30 10 IKEE Cc1cc(C)c(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccco2)C3=O)c(C)c1 2324331810 GSABLUQLYCFBRQ-SFHVURJKSA-N 431.488 5.535 30 10 IKEE CCOc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC 2324339256 OIRDBOFNPXZQBY-GOSISDBHSA-N 449.488 5.015 30 10 IKEE COc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4C)cc(C)c3C2=O)cc1 2324412208 CEEZBPITXGUMTL-SFHVURJKSA-N 443.499 5.334 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCc4nc(O)c5ccccc5n4)cc(C)c3C2=O)cc1 2325205871 JRWDNMZNBXWDMX-UHFFFAOYSA-N 438.483 5.401 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccccc3[N+](=O)[O-])c2)cc1 2325712864 DHTJZMJUBYNPRM-UHFFFAOYSA-N 429.472 6.053 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OC(=O)CCCOc1ccccc1 2325737654 SHDLOJFDUFWDSB-UHFFFAOYSA-N 430.500 5.664 30 10 IKEE O=C(C=Cc1cccc(OC(=O)C2(c3ccc4c(c3)OCO4)CC2)c1)c1ccc(F)cc1 2325751479 SJOFOZQDYFPIHB-UHFFFAOYSA-N 430.431 5.088 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cccnc3)c2)cc1 2325751814 USQSQYCCCYFRGN-UHFFFAOYSA-N 443.543 6.546 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)CCCSC)c2)cc1C(C)C 2325754215 ITYOJWFCWBMZEY-UHFFFAOYSA-N 426.578 6.072 30 10 IKEE Cc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccc(C#N)cc2)cc1 2326684293 ZOZWWPHBFLIVLN-UHFFFAOYSA-N 437.572 5.418 30 10 IKEE CCCSc1nnc(CCc2cccc(OC)c2)n1N=Cc1ccc(Cl)cc1Cl 2328654175 HFWPIUSXVKYZHT-UHFFFAOYSA-N 449.407 5.763 30 10 IKEE CCOc1cccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2)c1 2329837376 PBIZEORWYJTZKV-UHFFFAOYSA-N 446.551 5.581 30 10 IKEE CCCSc1nnc(Cc2ccc(F)cc2)n1N=Cc1ccc(OCC)c(OCC)c1 2329853944 OBIYYIUXTCQGJN-UHFFFAOYSA-N 442.560 5.190 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3ccccc3C)nnc2[C@H]2CCCO2)cc1 2330894451 GWUGLKZIOZZUKD-JOCHJYFZSA-N 436.581 5.401 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)cc([N+](=O)[O-])c1OC(=O)c1ccccc1 2330974788 SJQZOMFRFPHPEW-UHFFFAOYSA-N 447.443 5.117 30 10 IKEE COc1ccccc1C=Nn1c(SCc2c(F)cccc2Cl)nnc1C1CCCC1 2331101118 HMDRQIUMIMBDCS-UHFFFAOYSA-N 444.963 5.911 30 10 IKEE COc1cc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C(C)(C)C)ccc1O 2331405368 JXQIPBYKERMESN-UHFFFAOYSA-N 430.961 5.118 30 10 IKEE COCCC(=O)Oc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1Br 2331417120 TWHAMGOWLQUCHJ-UHFFFAOYSA-N 445.353 5.585 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)C3CCCC3)c(OC)c2)cc1F 2331450924 TUTAUVSOBOGFRE-UHFFFAOYSA-N 432.875 5.488 30 10 IKEE Cc1cncc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2[N+](=O)[O-])c1 2331498295 CMQGAXDRXNERIC-UHFFFAOYSA-N 430.460 5.537 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2ccc(C(C)C)cc2)cc1 2331499710 JDNIVTUKVBNOBU-UHFFFAOYSA-N 447.608 5.590 30 10 IKEE FC(F)(F)c1ccc(C=Nn2c(SCCc3ccccc3)nnc2C2CCC2)cc1 2331527610 KLMANVLVIUUUPR-UHFFFAOYSA-N 430.499 5.781 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OC(C)=O)c([N+](=O)[O-])c2)cc1 2331543655 ZQCUECYXBRQXCA-UHFFFAOYSA-N 425.481 5.765 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2-c2ccccc2)cc1)c1ccc(F)c(F)c1 2331555198 LFCFKOLOSRYDMP-UHFFFAOYSA-N 440.445 6.747 30 10 IKEE CCCOc1c(C=Nn2c(CCC)nnc2SCCc2ccccc2)cccc1OC 2331653441 HBOWIVABHBNKHU-UHFFFAOYSA-N 438.597 5.245 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1 2331659460 HFQGILCBTQETGT-UHFFFAOYSA-N 436.507 6.581 30 10 IKEE Cc1ccccc1NC(=O)CSc1nnc(C(C)C)n1N=Cc1cccc2ccccc12 2331687421 HJPGFHUVSHLOTM-UHFFFAOYSA-N 443.576 5.476 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)c1cccnc1 2331863684 NAMDGFIKVDWTIJ-UHFFFAOYSA-N 442.298 5.902 30 10 IKEE COC(=O)c1nc(-c2cccs2)oc1NN=Cc1ccccc1OCc1ccccc1C 2331932054 WGJYYOURGIRQAU-UHFFFAOYSA-N 447.516 5.523 30 10 IKEE Cc1ccccc1-c1ccc(-n2nnc(C#N)c2NC(=O)C=Cc2cccc(Cl)c2)cc1 2332187670 YLVFZKYCONMZFQ-UHFFFAOYSA-N 439.906 5.420 30 10 IKEE CC(C)N[C@@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)[C@H]1CC12CCC2 2344981311 SIEUFIIGEIRMFA-YTMVLYRLSA-N 444.667 5.071 30 10 IKEE CCCCCCC[C@H](OCCCN)c1sc(Cl)cc1I 2366654929 OXBNCGYTELMMIS-ZDUSSCGKSA-N 429.795 5.773 30 10 IKEE C=CCN1C(=O)[C@H](Cc2ccc(Cl)c(Cl)c2)S/C1=N\N=C\c1ccc(OC)cc1 11612140 PZZFPISBOBBHCJ-UZHBQURLSA-N 448.375 5.065 30 10 IKEE C/C(=N\Nc1nc(-c2ccccc2)cc(-c2ccc(F)cc2)n1)c1ccc([N+](=O)[O-])cc1 33391074 OTFDOAQIYKSQAL-LQKURTRISA-N 427.439 5.694 30 10 IKEE C=CCOc1ccc(C(=O)Nc2c(C(=O)c3ccc(OCC)cc3)oc3ccccc23)cc1 39868173 SSYSUDCTPISQBY-UHFFFAOYSA-N 441.483 5.880 30 10 IKEE CNC(=O)c1c(Nc2ccc(C(C)C)cc2)sc2c(-c3ccccc3)c(C#N)c(N)nc12 39895264 ARSUXSLDGLXMKW-UHFFFAOYSA-N 441.560 5.644 30 10 IKEE Cc1c(OCc2c(F)c(F)c(F)c(F)c2F)ccc2c1O/C(=C\c1ccncc1)C2=O 41436010 YJJBCGSFYYVVET-NVNXTCNLSA-N 433.332 5.281 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OC/C=C/c4ccccc4)c3C)C2=O)cc1OC 41436211 DSURWATYLCYETK-WREQSARCSA-N 428.484 5.721 30 10 IKEE C=CCOc1c(Cl)cc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1Cl 59135173 PUCSZOGPTQRELL-ZSOIEALJSA-N 435.238 5.204 30 10 IKEE CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)c1cccc(OCc2ccccc2C#N)c1 72091386 AUGJYALWLFAAGS-RUZDIDTESA-N 426.516 5.130 30 10 IKEE Cc1sc2[nH]c(SCc3cccc(C#N)c3)nc(=O)c2c1-c1ccc(C(C)(C)C)cc1 96534581 LEGCJHZCYZSIIQ-UHFFFAOYSA-N 445.613 6.422 30 10 IKEE CCCCCCCOc1ccc(NC(=O)CNc2ccccc2OC[C@H]2CCCO2)cc1 100094284 ACNSBXHZXOCKIZ-HSZRJFAPSA-N 440.584 5.644 30 10 IKEE CCCCCCCOc1cccc(NC(=O)CNc2ccc(C(=O)NC(C)(C)C)cc2)c1 100100202 BNHIEPGWAZGPSA-UHFFFAOYSA-N 439.600 5.615 30 10 IKEE C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)Nc1cccc(NC(=O)[C@]34CC[C@@H](C3)C(C)(C)C4=C)n1)C2 100924971 RLYLOWICHZAGMG-OVWYZSLCSA-N 433.596 5.724 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3c(Cl)cccc3Cl)o2)S/C1=N/c1cccnc1 101124734 WAKYCXZIIKCFST-MYYGHIFYSA-N 430.316 5.882 30 10 IKEE CCCCCCCCn1c(CCCCCNC(=O)c2cccc(C)c2)nc2ccccc21 102167377 GYBBAIVMMQEYFF-UHFFFAOYSA-N 433.640 6.848 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C/c1cc(Cl)cc3c1OCOC3)C2=O 102729166 LCVWCEXMHQBBOT-LSHDLFTRSA-N 448.858 5.350 30 10 IKEE CCN1C/C(=C/c2c(Cl)cccc2Cl)C(=O)/C(=C/c2c(Cl)cccc2Cl)C1 108768704 YWXFWSSWXFFSNG-ZKLMZBBOSA-N 441.185 6.672 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(C)cc2C)cc1 169925758 BTFZUIZFLONXNJ-XMMPIXPASA-N 427.500 5.403 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(OCc3ccc(F)cc3)cc2)NC(=S)N1C 169935449 KTKJJEAQDHIHQG-DEOSSOPVSA-N 446.547 5.423 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccc(N(C)C)cc2)cc1 169952890 CMGNWRJAXJZVHF-RUZDIDTESA-N 440.543 5.406 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@@H]2c2ccncc2)cc1C 170016993 CUHAHGWTKBHEHN-XMMPIXPASA-N 440.543 5.779 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccc(F)cc2)cc1 170061776 SLUPCPSBOWWATK-QHCPKHFHSA-N 433.454 5.619 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccccc1F)c1c[nH]c2ccccc12 170072280 REPAOBPXZVOKDR-HSZRJFAPSA-N 444.437 5.225 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1cccc(OC)c1 170120992 HIGFTMLKYBNIRM-QHCPKHFHSA-N 437.536 5.251 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)c(Cl)c2)=C(O)C(=O)N1C1CCCC1 170126059 LZJVLHLYPWLMSM-HXUWFJFHSA-N 446.330 5.523 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(C(C)(C)C)cc1 170149840 CLUPEFJGLFJGMO-VWLOTQADSA-N 441.571 6.516 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC(C)C)cc3)[C@@H]2c2ccncc2)c1 170200819 YLVFKENWIFHFDT-DEOSSOPVSA-N 442.515 5.208 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2ccc(O)c(Cl)c2)cc1C 170220239 NNIUGIZMYBWYEY-OAQYLSRUSA-N 443.927 5.131 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccc2)cc1C 170222854 WDHYHTXFAUDPHC-DEOSSOPVSA-N 445.490 5.706 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cccc(O)c1 170264369 LXKVNGIZJFPHNJ-HSZRJFAPSA-N 433.548 5.519 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccccc2C)c1 170271404 CIAMNDAZRHKVMW-RUZDIDTESA-N 441.527 5.874 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC(C)C)c(C)c3)[C@H]2c2ccco2)c1 170283095 XDOPBWCWOHBTRR-XMMPIXPASA-N 445.515 5.714 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2c(C)[nH]c3ccccc23)cc1 170312279 ZBDQAZMCEXCQMZ-HSZRJFAPSA-N 432.520 5.253 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2cccc(Cl)c2)c1 170365531 SXNYJLMGPQCLDJ-QHCPKHFHSA-N 447.918 5.830 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cccc3ccccc23)cc1 170369802 SDKNSMNBYZISPV-HSZRJFAPSA-N 441.508 5.693 30 10 IKEE Cc1nc2sc(C(=O)Nc3ccc(C(=O)/C=C\c4cccs4)cc3)c(N)c2c(C)c1C 211402826 JDWVWYDZXQOQTJ-KHPPLWFESA-N 447.585 6.014 30 10 IKEE CCCCCCCCC[C@@H](N)c1cc(Br)ccc1I 232921744 SCAKBANXCNNLKY-MRXNPFEDSA-N 438.191 6.194 30 10 IKEE CCNc1nc(NC(=O)C(C)C)nc(C)c1C#CC(C)(C)c1ccc(C(F)(F)F)cc1 248195480 PEPOXRSBZLPTQS-UHFFFAOYSA-N 432.490 5.159 30 10 IKEE O=C(NC1CCCCC1)c1c(N=Cc2cccc(Cl)c2Cl)sc2c1CCCC2 252636334 XHJRXSMLTWHYRJ-UHFFFAOYSA-N 435.420 6.747 30 10 IKEE Cc1ccc2c(c1)S/C(=C1\C[C@@H]3[C@H]4CC[C@@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)C1=O)S2 253622536 YMDSWPZYGHRYGY-TXMWOCCWSA-N 438.702 8.016 30 10 IKEE N#CC(N=Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)=NNc1cccc(C(F)(F)F)c1 254514312 POURWCQMABBBRZ-UHFFFAOYSA-N 430.268 5.665 30 10 IKEE CC(=Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N)c1ccc(Cl)c(Cl)c1 254519812 WLZZYKMNNYTREI-UHFFFAOYSA-N 431.322 7.933 30 10 IKEE C=C(CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O)[C@H](C)[C@H]1CC3)C(C)C 257484578 MMNYKQIDRZNIKT-YCUFKPQPSA-N 426.729 8.335 30 10 IKEE CCN(CC(=O)Nc1ccccc1C(F)(F)F)c1cc(C#N)c2cc(Cl)ccc2n1 301917430 BPTULRZAOVOJDG-UHFFFAOYSA-N 432.833 5.244 30 10 IKEE CCCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1sccc1C 526805182 BSYGSSJWZYZEKR-IWIPYMOSSA-N 426.655 6.463 30 10 IKEE CCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccc(OC(C)C)c(Cl)c1 526811334 IANZBNBNAXAUEI-MSXFZWOLSA-N 449.407 6.109 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccccc2O)c1 526819166 CXNMSIVTWFIBDK-QQXSKIMKSA-N 428.561 5.366 30 10 IKEE Cc1ccsc1/C=N\n1c(Cc2ccccc2)nnc1SCc1ccc([N+](=O)[O-])cc1 526829710 WOVGPLJPRQTYAT-UCQKPKSFSA-N 449.561 5.322 30 10 IKEE C=CCCN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586136559 ZUJXXFVAAKZGDG-UHFFFAOYSA-N 438.298 5.779 30 10 IKEE C=CCCN(c1ccc(N2CCCCC2)cc1)S(=O)(=O)c1cc(Cl)ccc1OC 586257324 FJDCFETUPWYDIF-UHFFFAOYSA-N 434.989 5.110 30 10 IKEE CCCCCCCCCC[C@H](O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 696197588 NVYPQNAUVQRTEX-FQEVSTJZSA-N 442.438 7.360 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@]1(C#N)CCOc2ccc(Br)cc21 698369318 IBXIFPLBOPLZHJ-OAQYLSRUSA-N 435.362 5.520 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@H](C#N)c1ccc(Br)c(Cl)c1 698452777 CUDWOEMUKZKMHI-QGZVFWFLSA-N 427.770 6.237 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C1 698835105 ZBIOVZUFLFLKFA-WAIKUNEKSA-N 449.979 5.621 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@H](C#N)c1cc(Br)ccc1Cl 698865856 HGXGTTYVGWGBQU-INIZCTEOSA-N 441.778 6.166 30 10 IKEE COc1ccc(Br)c([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)c1 698891397 XVZJTOCLDSYDAS-SFHVURJKSA-N 435.293 5.603 30 10 IKEE C[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 698899432 JVLMNFVEGPCKJA-KSFYIVLOSA-N 435.590 5.167 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2[C@](C)(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 698908334 HQKIKUWECPMTJW-CNWOVPGOSA-N 447.601 5.023 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@@H](C#N)c1cc(Cl)ccc1Br 698941476 CDAJXKSAWVPJSF-AWEZNQCLSA-N 428.718 5.605 30 10 IKEE CC/C(=N\OCc1cc(=O)c(OCc2ccccc2)cn1C)c1ccc(C(C)(C)C)cc1 821221293 SOXQYTJHLIXTSH-ZZIIXHQDSA-N 432.564 5.593 30 10 IKEE C=CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCc2c(ccnc2O)C1 1507926475 SUGYFKNPXXCRDA-UHFFFAOYSA-N 444.366 5.272 30 10 IKEE Cc1ccc([C@H]2[CH]c3ccccc3O/C2=N/N=C2\SCC(=O)N2Cc2ccccc2)cc1 1614732961 ILCNSTKMIDLGLZ-NQQIJULLSA-N 440.548 5.169 30 10 IKEE Cc1cccc(N=C2S/C(=C/C(Cl)=C\c3ccccc3)C(=O)N2c2ccccc2)n1 1772734742 DXKFZXIIQKFURO-GCIXZARGSA-N 431.948 6.321 30 10 IKEE Cc1nnc(N=C2S/C(=C\c3c(F)cccc3Cl)C(=O)N2c2ccccc2)s1 1772736113 HDEXHOYVTRLETH-FIMHLPJISA-N 430.917 5.448 30 10 IKEE Cc1csc(N=C2S/C(=C/C(Cl)=C/c3ccccc3)C(=O)N2C2CCCCC2)n1 1772739448 RNWMDWADDUITQQ-KZGAIZSTSA-N 444.025 6.511 30 10 IKEE CCCCCCCCCOc1cccc(NC(=O)c2cc(OCC)cc(OCC)c2)c1 1860130251 DHSJPHNVOWJCDG-UHFFFAOYSA-N 427.585 6.866 30 10 IKEE Cc1cc(C(=O)Nc2ccc(Cl)c(NC(=O)c3cccc(C#N)c3)c2)ccc1N(C)C 1860459736 LJIYMMSGZHIMKD-UHFFFAOYSA-N 432.911 5.091 30 10 IKEE N#Cc1ccccc1NC(=O)c1cc(CCc2ccccc2)n(Cc2ccc(Cl)cc2)n1 1862328066 ZZRVRRREWFXNAS-UHFFFAOYSA-N 440.934 5.494 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 1862379430 BLVJXNMEQVKRPH-OXJNMPFZSA-N 446.330 5.059 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C2CC2)cc1 1862384519 TZBNPYQOSYRSLL-LJQANCHMSA-N 432.303 5.133 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cccc2ccccc12)c1ccc(F)cc1F 1862420391 JXHVGRIFHGIOFG-XMMPIXPASA-N 447.481 6.029 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1cccc(Cl)c1)c1ccccc1Cl 1862432391 CWTSOECRBDYHIR-OAQYLSRUSA-N 444.358 6.295 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(Cl)c1 1862446288 OUTVJKXVAOAWMT-MMACOIQUSA-N 444.358 6.150 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccccc1 1862455771 BZIMCNWJLZAQPH-JTSKRJEESA-N 445.481 6.041 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccccc1F)c1c(F)cc(F)cc1F 1862457345 NFEWPBNGBLIOBJ-OAQYLSRUSA-N 447.428 5.544 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC2=CCCCC2)c1 1862473512 CHIJFBDBHQGTFV-DEOSSOPVSA-N 431.532 5.472 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2cccc(Cl)c2)cc1 1862476954 QURUILPUANEROH-QHCPKHFHSA-N 449.909 5.609 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 1862479914 SQPNSEMDILEYKA-RUZDIDTESA-N 445.603 6.594 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc(F)cc2F)c1 1862491365 RBXXKUCCTOAMFS-POCHDABASA-N 439.502 5.739 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2cccc3ccccc23)cc1 1862518859 VRWGTGUENQWVBZ-BVZFJXPGSA-N 443.543 6.005 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccccc2C(=O)O)cc1 1862533578 KFXLLEPXLJMIQC-HSZRJFAPSA-N 447.531 5.248 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2ccccc2)cc1 1862535000 ZEOCFIXTJXEKDE-RUZDIDTESA-N 425.528 5.460 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@@H]1c1ccccc1)c1ccc2c(c1)CCCC2 1862544305 ZYFRRRFANOXAKS-XMMPIXPASA-N 443.568 5.448 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(OC)c1 1862581335 FBTFTGBRWFRXTC-HXPMCKFVSA-N 434.319 5.379 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCCCN(C)C)c1 1862613687 NEARFLMVBYCBLQ-XMMPIXPASA-N 448.607 5.213 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccccc1Cl 1862618047 OAKAJEIKPHQOHN-QVKFZJNVSA-N 425.956 6.014 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(Cl)cc1Cl 1862624633 ZSAKJAFZVWCNGM-HXUWFJFHSA-N 446.374 6.278 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(F)cc2F)cc1 1862660191 GOAMUEHHLZKTGU-QFIPXVFZSA-N 437.442 5.460 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862673143 JOUSYQSJXPFHRL-DEOSSOPVSA-N 435.539 6.079 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(O)cc2)cc1 1862674966 YSRKJTKJEDYJLM-UPCLLVRISA-N 445.490 5.433 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 1862676676 ONPQSKSLCAOVKU-OYHNWAKOSA-N 446.434 5.073 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc(C(C)C)cc2)c1 1862701641 JXZJJSLLGRVJSW-MQVPCNEGSA-N 447.575 5.976 30 10 IKEE Cc1cc(C2=C(Nc3ccc4ccccc4c3)C(=O)N(c3ccc(C#N)cc3)C2=O)ccc1F 1863093262 LODIKORLBXJZPV-UHFFFAOYSA-N 447.469 5.556 30 10 IKEE Cc1ccccc1[C@@H](NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 1865966130 HGRPKHHTHPWBNL-CQSZACIVSA-N 429.282 6.066 30 10 IKEE CC[C@@](C)(NC(=O)[C@@H](c1ccc(Cl)cc1)C1CCCC1)C(=O)Nc1cccc(C#N)c1 1867007800 OEPCWBZZUUVNNO-RCZVLFRGSA-N 437.971 5.409 30 10 IKEE C[C@@H](c1cccs1)N1CCN(c2cc(Nc3cccc(C#N)c3)nc(C(C)(C)C)n2)CC1 1868333399 IRDZWNPMDWFQGU-SFHVURJKSA-N 446.624 5.334 30 10 IKEE CCCCCCCCCCn1cc(OCC(C)C)c(=O)cc1CNc1cc(C)cc(C)c1 1870858842 WVJDUCXQQQUWAD-UHFFFAOYSA-N 440.672 7.253 30 10 IKEE CCCCCCCCn1cc(OCCCCC)c(=O)cc1CNc1ccc(Cl)c(C)c1 1871130166 GHYQGRQRORGJQL-UHFFFAOYSA-N 447.063 7.352 30 10 IKEE C=CCn1cc(OCCCCOc2ccccc2)c(=O)cc1CNc1ccc(C)c(C)c1 1871224422 XTAZTBXLDYEAAD-UHFFFAOYSA-N 432.564 5.501 30 10 IKEE CCCCCCCCNS(=O)(=O)c1nc(-c2ccc(C)cc2)sc1-c1ccccc1 1871288507 SHOYLUMKMLCIPC-UHFFFAOYSA-N 442.650 6.424 30 10 IKEE Cc1cccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCc2ccc(F)cc2)C4)c1 1871344392 HDIXFYYWLYXDRW-OYKKKHCWSA-N 429.491 5.453 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3c(cc4c(c3C)OCN([C@H]3CCCC[C@@H]3C)C4)C2=O)c1 1871355867 KFPCLAHVMHMLHM-SSYXUCQPSA-N 449.547 5.359 30 10 IKEE Cc1cc(OC(=O)c2cccc(OC(C)C)c2)cc2c1C(=O)/C(=C/c1cccc(F)c1)O2 1871387858 COHAWSZFIKSFEN-FMCGGJTJSA-N 432.447 5.757 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(O)c3CN(C3CCCCC3)C3CCCCC3)C2=O)c1 1871393153 QPZWUKLOHBNMCJ-IMRQLAEWSA-N 445.603 6.784 30 10 IKEE Cc1cc(O)c(CN2C[C@@H](C)O[C@H](C)C2)c2c1C(=O)/C(=C/c1ccc(Cl)cc1Cl)O2 1871395562 WNARYTFGPLYYBP-YZMHXAEASA-N 448.346 5.233 30 10 IKEE CCOc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccco1)C2=O 1871403538 YVFWWJLIRPCMCE-NXUSMQHESA-N 433.460 5.009 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3c(ccc(OCCOc4ccc(C)cc4)c3C)C2=O)c1 1871404732 DDOIRSGETMMYJV-XYGWBWBKSA-N 446.499 5.395 30 10 IKEE Cc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O 1871407307 WBVQAIHAPOOLRN-GEWRUKCFSA-N 433.891 5.671 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(OC)cc2)C3=O)cc1 1871411744 QLJPSNWCIIEAHN-WZJLVRHISA-N 443.499 5.280 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(Cl)cc4C)cc(C)c3C2=O)o1 1871454885 YMZWTTCNAABJOH-FBHDLOMBSA-N 437.879 5.492 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4cc(Cl)ccc4C)ccc3C2=O)c1 1871457514 KJXMRDXDOPNSEF-KSEXSDGBSA-N 449.890 5.291 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)S(=O)(=O)CCC 1872331307 BOUYLIXIDBBGMD-QHCPKHFHSA-N 436.662 5.659 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OC(C)=O)cc3)n2)c2ccccc12 1872788088 CQIXKZGCQBBCAQ-NRFANRHFSA-N 442.496 5.387 30 10 IKEE C=CCc1ccccc1OCc1cccc(C(=O)Nc2ccc(C(=O)OCCC)cc2)c1 1872834567 ZVNMLRPDUKGMDU-UHFFFAOYSA-N 429.516 5.813 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC2CCCCC2)=C(c2ccc(F)cc2)C1=O 1873137478 HKYNRTFQUVGMOC-UHFFFAOYSA-N 428.592 5.969 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C)c(Cl)c2)=C(c2cccnc2)C1=O 1873268571 BXDACDBYRPYTQR-UHFFFAOYSA-N 425.960 5.596 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(OC)c(Cl)c2)cc2c(N(CC)CCCC)ncnc21 1873654438 DGLMOYAFNIOKFF-UHFFFAOYSA-N 441.963 5.158 30 10 IKEE CCSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1cccc(F)c1 1874197027 NYEGDEYZGHGOCH-YZSQISJMSA-N 434.540 5.576 30 10 IKEE CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1cccc(Cl)c1 1874202913 VKMVDYLLGNZXAK-AFUMVMLFSA-N 443.016 6.111 30 10 IKEE C=CCSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1cccc(Cl)c1 1874259394 XACBCKNZJBGFBE-BUVRLJJBSA-N 426.973 5.623 30 10 IKEE CSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(Br)cc1 1874268485 ZRMYQUUHGVHEQY-OEAKJJBVSA-N 437.366 5.389 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc(N(C)C)cc1 1874278761 BVCFPZRYNKIKTO-MFKUBSTISA-N 440.016 5.333 30 10 IKEE CCCSc1nnc(CCc2cccc(OC)c2)n1/N=C/c1ccccc1OC(C)C 1874310662 HUUCDBIJSXVJEF-KOEQRZSOSA-N 438.597 5.243 30 10 IKEE C=C(C)CSc1nnc(COCc2ccccc2)n1/N=C/c1ccc(Cl)cc1Cl 1874355472 LSCSMFXGBIBCNW-BHGWPJFGSA-N 447.391 5.852 30 10 IKEE Cn1cccc1/C=N/n1c(COc2ccccc2)nnc1SCc1cccc(Cl)c1 1874386837 KDCFQIXPEKNTFF-ZVHZXABRSA-N 437.956 5.024 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3Cl)n2/N=C/c2cccnc2)cc1 1874389532 RJBGQNWRQLEGHF-CVKSISIWSA-N 433.968 5.400 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2cccc(C)c2)cc1 1874437455 BZGJSUQAZRPJLF-OVVQPSECSA-N 449.668 6.196 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(CC(C)(C)C)n2/N=C/c2ccccc2C)cc1 1874437782 SJEUZIPJVQRLLD-WGOQTCKBSA-N 449.624 5.351 30 10 IKEE CCCCc1nnc(SC)n1/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1874475499 DBDKFGOUFATEPK-ZMOGYAJESA-N 449.407 6.111 30 10 IKEE C=C(C)CSc1nnc(C)n1/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1874532672 VFCZTXQZZPQGFA-BHGWPJFGSA-N 447.391 6.023 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(C)nnc2SCc2cccc(Cl)c2)cc1 1874535856 ZOBVFXANQAYGEP-BUVRLJJBSA-N 428.989 5.983 30 10 IKEE Cc1ccc(COc2ccccc2/C=N/n2c(S)nnc2CCc2cccs2)cc1 1874561739 GSNDZKRGARLHHQ-BUVRLJJBSA-N 434.590 5.183 30 10 IKEE C=CCOc1c(/C=C/C(=O)c2ccc(OCCC)c(OCCC)c2)cc(Cl)cc1OC 1874576575 UGKLCQKNZJRDJU-CSKARUKUSA-N 444.955 6.387 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC)c2OCc2ccc(C)cc2)cc1C(C)C 1874584850 FTADBUPNEWPFEF-CCEZHUSRSA-N 444.571 6.919 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2c(OCc3cccc(Cl)c3)ccc3ccccc23)c(C)c1 1874590221 ZNCGAWDWOSBWDJ-OUKQBFOZSA-N 440.970 7.894 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1OCc1cccc2ccccc12 1874592769 AQZQFIIPZJGNQS-WYMLVPIESA-N 439.467 6.232 30 10 IKEE Cc1cccc(NC(=O)COc2cccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)c2)c1C 1874594514 ONYNWLWSDAIZFK-NTEUORMPSA-N 430.460 5.125 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1 1874604356 IFYVJJNRUCEILQ-JLHYYAGUSA-N 441.354 7.040 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OCc1c(F)cccc1Cl 1874608415 NEEUBQAYTZLDRK-ZRDIBKRKSA-N 445.317 7.006 30 10 IKEE C=C(C)COc1c(Br)cc(/C=C/C(=O)c2ccc(OCC)cc2)cc1OCC 1874615283 PIZFCUJBZWIFEO-KPKJPENVSA-N 445.353 6.098 30 10 IKEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 1874622635 NBCUKKFZAGCOPO-RIYZIHGNSA-N 438.524 5.036 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(Cl)c1OCc1ccc(F)cc1 1874623799 VZXCVJKHYBFLKD-SDNWHVSQSA-N 446.905 7.116 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1 1874624036 IQNSIHGUUQOQGX-LICLKQGHSA-N 427.544 6.340 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)ccc1OCc1ccccc1F 1874639068 GRZHDIIMJZRIBP-DHZHZOJOSA-N 440.898 6.362 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1OC(=O)c1ccccc1OC 1874692664 RPBRERSPXFJSBT-RVDMUPIBSA-N 438.479 5.972 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cccc(C)c3)c2)c1 1874704215 CHBCDSUOMXEKOT-DHZHZOJOSA-N 432.472 5.136 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 1874706069 NXGIGZFVWBESGH-VXLYETTFSA-N 440.583 7.397 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OC(=O)COc3ccc(C)cc3C)c2)c1 1874706436 IAHCTCAJFDXQCI-PKNBQFBNSA-N 446.499 5.201 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1cccc(/C=C/C(=O)c2ccc(C(C)C)cc2)c1 1874709861 LYETVSQHMASFJZ-QGOAFFKASA-N 442.555 6.779 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(OCCC)cc2)CSc2nnc(C)n21 1874828494 GQXAISLLFXBBBV-OAQYLSRUSA-N 430.618 5.438 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OC(=O)Cc1ccccc1F 1875095996 RGWBFFKBFCKCRQ-GXDHUFHOSA-N 440.470 6.032 30 10 IKEE CC(C)COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 1875117248 KTZNNBIBDAPLGZ-FZSIALSZSA-N 445.471 5.745 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1Br)c1ccco1 1875120701 GMEOUPQYJQMYFM-XVNBXDOJSA-N 433.204 5.436 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1[N+](=O)[O-] 1875120800 LCHNFBZHIDWMFS-YCRREMRBSA-N 441.361 5.056 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2Cl)cc1 1875133225 KTHONXMNIYXLNP-WLRTZDKTSA-N 434.875 5.689 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cccs3)c(Cl)c2)cc1 1875137412 LAJTXSSLWAHEND-VZUCSPMQSA-N 440.948 6.235 30 10 IKEE COc1ccccc1CC(=O)Oc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1Cl 1875139452 JMMKYSJPTDKNRN-ZRDIBKRKSA-N 434.919 6.010 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3C)c([N+](=O)[O-])c2)ccc1F 1875142254 RUDDEVUILLCMAC-KPKJPENVSA-N 447.462 5.785 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)CC1CCCCC1 1875157937 WKZBPORLIGZDPD-MDWZMJQESA-N 426.484 5.615 30 10 IKEE C#CC[C@H](C)C[C@H](NC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1887416272 FTABLFSKKAUNMO-ALYLKEMTSA-N 443.587 5.516 30 10 IKEE O=C(Nc1cc(Br)cc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1F 1889902565 BMBLGABVJMAMDF-UHFFFAOYSA-N 430.117 5.878 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@]1(CCC)CCCN(C(=O)OC(C)(C)C)C1 1922067351 AWNDXNHCVUPECF-SHQCIBLASA-N 444.660 5.945 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(C)C 1922106872 HKEOSHSPYUUCLC-XZOQPEGZSA-N 430.633 5.411 30 10 IKEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(C)sc(C)c1Br 2027395882 ROKCGWOTXKWGQQ-WMLDXEAASA-N 429.424 5.085 30 10 IKEE COC(=O)c1ccc(C=Cc2cc(-c3ccccc3)c(C#N)c3nc4ccccc4n23)cc1 2053623236 NTYBSZYEHYCYGQ-UHFFFAOYSA-N 429.479 5.983 30 10 IKEE CC(C)(C)OC(=O)NC1CC2(CC[C@@]2(C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 2064202762 KZKMEJGQIBLPCX-VHNLKAGOSA-N 447.620 5.676 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)[C@@H]1C1CC1 2067979401 JQVFCLMFUTXWDR-YADARESESA-N 445.535 5.249 30 10 IKEE C=C(C)CC[C@H](NC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071359791 WRMRBEOBSHFDNZ-LSYYVWMOSA-N 431.576 5.822 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NC)c2ccc(Cl)cc2Br)C1 2077749672 AQXDBAKPIFVYBN-MRXNPFEDSA-N 429.786 5.224 30 10 IKEE Cc1ccc([C@@H](C2CCC2)n2nc(C(C)C)c(C#N)c2I)c(F)c1 2079042659 OCYWOMXHROOLHP-GOSISDBHSA-N 437.300 5.320 30 10 IKEE COc1ccc([C@H](C2CCC2)n2nc(C(C)(C)C)c(C=NO)c2Br)c(F)c1 2080074097 JKNGLOMDOOMXOM-KRWDZBQOSA-N 438.341 5.288 30 10 IKEE CCCOc1ccc([C@H](C2CC2)n2nc(C(C)(C)C)c(C=NO)c2Br)cc1 2080077618 HJQCCMJJIPWGAQ-SFHVURJKSA-N 434.378 5.539 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)cc(C)cc1Br 2116827601 BZXQVLODLPWVEC-SJLPKXTDSA-N 429.374 5.407 30 10 IKEE CC1(C)CCC[C@@]12CSC(=NCc1scc(Br)c1Br)N2 2150561856 JWRKYNWHMKDWPH-CQSZACIVSA-N 438.254 5.414 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)C1(C#N)C[C@H]2CC(F)(F)C[C@@H]2C1 2160230399 MYBFGHRJRLBLTA-KBPBESRZSA-N 441.316 5.908 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(C#N)cc2F)cc1Br 2181047972 QCVALHQVVMKHEM-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE CCN[C@H](C#Cc1ccccc1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2191236781 QTHVXOZACBRRFO-GDLZYMKVSA-N 447.578 6.547 30 10 IKEE C=CC1CC(CO)(N(C(=O)OCC2c3ccccc3-c3ccccc32)c2cccc(F)c2)C1 2211074749 QSUSXBVVCWPOJU-UHFFFAOYSA-N 443.518 5.908 30 10 IKEE Brc1sc(C[C@@H]2CCC[C@@H]3O[C@@H]23)c(Br)c1Br 2212264685 CITCWAGKZGISBF-VGIXGZPDSA-N 430.987 5.146 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1CCC(=O)C#Cc1ccccc1Br 2235728497 ZXBJLMSVBXZYRK-PXNSSMCTSA-N 434.374 5.233 30 10 IKEE CCCCCCCC[C@@H](O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237393142 VVPSZMKVRNOKPW-VQTJNVASSA-N 442.438 5.996 30 10 IKEE Cc1cnc(Nc2cc(Cl)c(C)cc2Br)c(B2OC(C)(C)C(C)(C)O2)c1 2241100907 XJNNTALKVJIJIH-UHFFFAOYSA-N 437.574 5.157 30 10 IKEE Cc1sc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)C(C)(C)C)c1C 2247832226 LQSNWLZXPIVACM-UHFFFAOYSA-N 427.419 5.105 30 10 IKEE Cc1sc(C(=O)N(Cc2ccccc2)[C@H](C)C2CC2)c(C)c1B1OC(C)(C)C(C)(C)O1 2255858333 PVJHEUZLRXZZNA-QGZVFWFLSA-N 439.430 5.105 30 10 IKEE CC1(NC(=O)OCc2ccccc2)CCC(C#N)(Nc2ccccc2Br)CC1 2258960936 MSFVIMRUCSGKCT-UHFFFAOYSA-N 442.357 5.382 30 10 IKEE CCN(Cc1cccc(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)c1)C(=O)OC(C)(C)C 2267499272 QJCUVCNAQUGRTC-UHFFFAOYSA-N 444.381 5.009 30 10 IKEE C#CCCCC[C@@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2277251174 CWIWMCANTHRUPZ-HHHXNRCGSA-N 443.587 6.055 30 10 IKEE Cc1cccc(C(=O)N(Cc2ccccc2)CC2CCCCC2)c1B1OC(C)(C)C(C)(C)O1 2282130938 FBHKBAWYQKIADT-UHFFFAOYSA-N 447.428 5.517 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CCC[C@H](C1)[C@]2(C#N)Nc1ccccc1Br 2285961204 QFBQZIUDGOBVKF-LRWSGUAYSA-N 434.378 5.227 30 10 IKEE C=C(COCc1ccccc1)[C@@](CC)(OCCC(=O)O)c1cccc(Br)c1 2291126819 IOPJLYAPALXOQD-JOCHJYFZSA-N 433.342 5.319 30 10 IKEE Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccccc3)[C@H]2c2ccc(C(C)C)cc2)cc1Cl 2296208187 OGZLREXKACVGNC-XMMPIXPASA-N 445.946 6.398 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](CC(=O)C#Cc1cccc(Br)c1)C1CCCCC1 2296222848 WRZRWHHEZXSJKT-FQEVSTJZSA-N 434.374 5.233 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)CCCN(C(=O)OC(C)(C)C)C(C)C 2296270566 ABRXPUUYJXNPLZ-FQEVSTJZSA-N 437.422 5.204 30 10 IKEE COc1c(Br)cc(C=C2Sc3ccccc3C2=O)cc1Br 2313532271 DKYVSCSCABVLFP-UHFFFAOYSA-N 426.129 5.550 30 10 IKEE N#Cc1cccc(F)c1Sc1cc(I)ccc1Br 2316384360 KIGFGFZSXQKVNE-UHFFFAOYSA-N 434.071 5.216 30 10 IKEE COc1ccc(C=C2Oc3c(ccc4c3CN(CCC3=CCCCC3)CO4)C2=O)c(OC)c1 2322106745 IBTXPVDIMWYIJI-UHFFFAOYSA-N 447.531 5.362 30 10 IKEE O=C1C(=Cc2ccc(F)cc2)Oc2c1ccc1c2CN(C23CC4CC(CC(C4)C2)C3)CO1 2322238544 VRADEBUFMDQWMZ-UHFFFAOYSA-N 431.507 5.563 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(C(C)(C)C)cc1)C3=O)CN(Cc1ccccc1)CO2 2322312403 HFFBCPCPZPWTGE-UHFFFAOYSA-N 439.555 6.261 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)N[C@@H](C)c2ccccc2)cc1C 2322401720 FSWKWBOJMBHGRK-FQEVSTJZSA-N 429.516 5.156 30 10 IKEE O=C(C=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1)c1cccc2ccccc12 2322711998 QJLCXQSZBHWFGV-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)ccc2C1=O 2323302245 GCEQOSFPTUOPJQ-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)cc1OC 2323439479 PBFFNDLLBCMPDF-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE COc1ccc(Br)cc1C=C1Oc2cc(OC(=O)CC(C)C)cc(C)c2C1=O 2323767337 HWDYXICZFKJWOZ-UHFFFAOYSA-N 445.309 5.334 30 10 IKEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2OC)o1 2323802639 UYYNVSWCNPMRER-UHFFFAOYSA-N 426.852 5.203 30 10 IKEE CCOc1cc(C=NNc2nc(-c3ccc(F)cc3)cs2)cc(Cl)c1OC(C)C 2323858639 XJBYHEXPIZMXJK-UHFFFAOYSA-N 433.936 6.235 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc([N+](=O)[O-])c1OCc1cccc(C)c1 2323959471 NPPUUXKRJPXIOI-UHFFFAOYSA-N 445.515 6.394 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(O[C@H](C)C(=O)OC(C)C)c3C)C2=O)c2ccccc21 2324305250 OGSWMHYEENPHJD-QGZVFWFLSA-N 433.504 5.305 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccc(C)o1)C2=O 2324349248 TYZVSYKAOIDRMC-SFHVURJKSA-N 445.515 5.789 30 10 IKEE CCCOc1c(Cl)cc(C=CC(=O)c2cc(OCC)ccc2OCC)cc1OCC 2324397377 JOCKHQFUYDUCHA-UHFFFAOYSA-N 432.944 6.221 30 10 IKEE CCCOC(=O)[C@H](CC)Oc1cc(C)c2c(c1)OC(=Cc1c(F)cccc1Cl)C2=O 2325092408 LHFUUERDJIIYLD-SFHVURJKSA-N 432.875 5.514 30 10 IKEE Cc1c(OCc2ccccc2C#N)ccc2c1OC(=Cc1ccc(Br)cc1)C2=O 2325357897 MXJKOCODHAJYMG-UHFFFAOYSA-N 446.300 5.824 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(F)c(F)c2)cc2c1C(=O)C(=CC=Cc1ccccc1)O2 2325528843 UTOYBXCOJRKURY-UHFFFAOYSA-N 447.437 5.463 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2c(F)cccc2Cl)c1)c1cccc([N+](=O)[O-])c1 2325690216 UDVCBOONBZBNOM-UHFFFAOYSA-N 425.799 5.503 30 10 IKEE O=C(CCCOc1ccccc1)Oc1cccc(C=CC(=O)c2ccc3c(c2)CCCC3)c1 2325701829 VVFFCZKOABEONT-UHFFFAOYSA-N 440.539 6.226 30 10 IKEE CCCCC(=O)Oc1cc(C=CC(=O)c2cccc(OC)c2)c(Br)cc1OC 2325707310 QNUKZJWNGKVMLJ-UHFFFAOYSA-N 447.325 5.458 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)CCCOc3ccccc3)c2)cc1 2325734736 DRCDZDLTJBNQKI-UHFFFAOYSA-N 430.500 5.746 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4CC)ccc3C2=O)cc1 2325737164 IIDSHHOFUJBJDB-UHFFFAOYSA-N 443.499 5.281 30 10 IKEE Cc1cc(C(=O)C=Cc2cccc(OC(=O)c3ccc4nc(C)c(C)nc4c3)c2)ccc1F 2325741932 DOGQDHKUFOJUNP-UHFFFAOYSA-N 440.474 5.809 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC(=O)c1cnccn1 2325753938 RZCMDABCAWBXOS-UHFFFAOYSA-N 446.503 5.041 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccc(C)cc2)cc1 2329249125 VPEFZMZFWLFCEV-UHFFFAOYSA-N 446.551 5.500 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(F)cc2)n1N=Cc1c(OC)ccc2ccccc12 2329837287 XNNRVLIJCWRJLA-UHFFFAOYSA-N 446.551 5.720 30 10 IKEE O=[N+]([O-])c1ccccc1C=Nn1c(SCc2ccc(F)cc2)nnc1-c1cccs1 2330539464 FUGDGUGUGIXYJJ-UHFFFAOYSA-N 439.497 5.228 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c(OC)c2)cc1OCC 2330731411 GUNIWAUXWNAYKH-UHFFFAOYSA-N 440.536 5.874 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)ccc1OC(=O)[C@@H](C)c1ccccc1 2330765319 ZQPSKCCEKHCRJY-FQEVSTJZSA-N 428.528 6.253 30 10 IKEE COc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccccc2C)c(OC)c1 2330808014 HECIKESVYIQREA-UHFFFAOYSA-N 438.597 5.367 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)C3CCC3)c(OC)c2)cc1 2330824433 IJQIQPSSQFDBMR-UHFFFAOYSA-N 426.940 6.293 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2)n1N=Cc1cccc(Br)c1 2330844740 GDLXDFLLUPDZAA-UHFFFAOYSA-N 443.414 5.804 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc(C)cc(C)c3)c(Cl)c2)cc1C 2330862803 LYEIMIIGKJOZND-UHFFFAOYSA-N 434.919 6.389 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)c1cccc(F)c1 2331086604 VPDQSXJNNNVOJE-UHFFFAOYSA-N 442.389 5.236 30 10 IKEE CC(C)(C)CC(=O)Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1Br 2331092827 RHOZFVVUIJIKRO-UHFFFAOYSA-N 437.280 5.965 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc([N+](=O)[O-])c1OC(=O)c1ccccc1 2331342523 FZVRCQMQBGUWAM-UHFFFAOYSA-N 449.434 5.556 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc([N+](=O)[O-])c1OC(=O)C1CCC1 2331342715 SLSNNQUKUIEOAX-UHFFFAOYSA-N 427.428 5.043 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)C)n2N=Cc2ccc(Cl)cc2Cl)c1 2331455677 GKTLXDHWYZHPTH-UHFFFAOYSA-N 447.435 6.575 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)c2cc(C)cc(C)c2)cc1 2331546467 TWUBRNSXKAETDO-UHFFFAOYSA-N 442.555 6.725 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)Cc2cccs2)cc1 2331633292 CPDRYZCDRPUKDW-UHFFFAOYSA-N 447.339 6.108 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(OC)cc3)cc2)c1 2331673722 YUSXYVJKYPZGET-UHFFFAOYSA-N 446.499 5.608 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(Cl)cc3)cc2)c(OC)c1 2331716730 GHHCALRYEWISRP-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE CC1(C)OB(c2ccc(Oc3cc(Cl)ccc3Br)c(C#N)c2)OC1(C)C 2364704200 MXQUDGWWTYPPOL-UHFFFAOYSA-N 434.526 5.066 30 10 IKEE CCCCCCCCCCOc1ccc(C2=N/C(=C/c3ccccc3Cl)C(=O)O2)cc1 1948935 SHIATAAJJMYXAO-LYBHJNIJSA-N 439.983 7.204 30 10 IKEE O=C1/C(=N\Nc2ccc(/N=N/c3ccccc3)cc2)C(c2ccccc2)=NN1c1ccccc1 8935235 QOBBPSGGRWZDCJ-PWIDZKHHSA-N 444.498 6.321 30 10 IKEE COc1ccc(-c2csc(NN=C3C[C@H](c4ccccc4)Oc4ccc(C)cc43)n2)cc1 13814908 YVCXIROPPVUFHA-RUZDIDTESA-N 441.556 6.467 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2F)cc1 21238866 FCZNGMWZIUOPOR-VKGTZQKMSA-N 442.534 6.594 30 10 IKEE COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccs2)c1 21243272 SMQIPNMZWQUPAQ-ODCWNRFASA-N 432.545 5.745 30 10 IKEE COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(O)cc2)c1 21248929 SZGDCJMVPUWPOY-XGCWNURASA-N 442.515 5.389 30 10 IKEE COc1cc(/C=C2/CC/C(=C\c3cc(Cl)c(OC)c(OC)c3)C2=O)cc(Cl)c1OC 33437938 SIGQVFHJILUFKR-BSHIDLADSA-N 449.330 5.858 30 10 IKEE O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(C2CCCCC2)cc1 33674939 QFICQXIMVRKLIZ-ZCXUNETKSA-N 433.555 6.878 30 10 IKEE C=CCc1ccccc1OCc1nc2ccccc2n1CCOc1ccc(Cl)c(C)c1 39907168 TYMADXSSXQNMQS-UHFFFAOYSA-N 432.951 6.385 30 10 IKEE Cc1oc(NC(=O)COc2c(-c3ccccc3Cl)oc3ccccc3c2=O)c(C#N)c1C 40168503 HDMABTMPWSQTEN-UHFFFAOYSA-N 448.862 5.212 30 10 IKEE Cc1c(C(=O)Nc2ccc(Cl)cc2)oc2c1/C(=N/Nc1ccc([N+](=O)[O-])cc1)CCC2 40814764 HDVSUIXRZVOLNS-NLRVBDNBSA-N 438.871 5.554 30 10 IKEE COc1ccccc1CN1COc2c(cc3c(c2C)O/C(=C\c2ccc(F)cc2)C3=O)C1 41586784 HMUNSVCGJRBCHR-KSEXSDGBSA-N 431.463 5.111 30 10 IKEE C[C@@H](N/C(=N\OC(=O)Nc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1)c1ccccc1 59382694 RSTAOEQVYOXTLD-OAHLLOKOSA-N 438.871 5.509 30 10 IKEE Cc1ccc(Sc2ccc(/C=C\C(=O)c3ccccc3OC(F)F)cc2[N+](=O)[O-])cc1 97993171 UFWKFGZGDNADRV-WQLSENKSSA-N 441.455 6.552 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2cccc(C(F)(F)F)c2)cc1 100293196 KOMDYGOCXRHLTA-UHFFFAOYSA-N 438.515 6.181 30 10 IKEE CCCCCCCCCCCn1c(CCNC(=O)/C=C/c2ccccc2)nc2ccccc21 101323167 TWHKSGYKKOILOH-QZQOTICOSA-N 445.651 6.939 30 10 IKEE CCCC/N=C(\C=C1\SN(CCC)C(=S)N1c1ccccc1)c1ccc(Cl)cc1 101464471 WIORRTOUMOHFKB-VDSFUVNPSA-N 444.069 6.936 30 10 IKEE O=C1C(=O)N(c2ccc(F)cc2)[C@H](c2cccc(F)c2)/C1=C(/O)c1ccc(Cl)cc1 103228035 DNOPMMFDKDKMMA-GOBJLOIFSA-N 425.818 5.245 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2cccc(C)c2)c1 169966226 WDXURIPUXLPVIX-SANMLTNESA-N 449.506 5.940 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)c(C)c2)[C@H]1c1cccc(OC(C)C)c1 169980998 RLEAJFKLPCGVMY-XMMPIXPASA-N 435.564 5.859 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccc(OCC)c2)cc1 170036410 WEBLEGGVWJSZIB-XMMPIXPASA-N 443.499 5.267 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@H]2c2ccccc2)cc1 170049395 BLHRJFWFERRFEX-DEOSSOPVSA-N 441.527 5.776 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(OC)cc3)[C@H]2c2ccccc2)cc1 170054033 QJFWUVGQMAJZGX-VWLOTQADSA-N 441.527 5.079 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccco2)cc1C 170096020 ZWDZAWQDCUXPBZ-XMMPIXPASA-N 440.499 5.199 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@H]1c1cccc(C)c1 170146949 FYVUVEPBJPOBPC-OAQYLSRUSA-N 446.572 5.805 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)c(C)c2)[C@H]1c1cccc(C)c1 170147594 GPJOVCYQWDBYTQ-XMMPIXPASA-N 435.564 5.861 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccccn2)c1 170173808 OWVAOCZPDOQCNT-QFIPXVFZSA-N 448.906 5.307 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccn2)cc1C 170179409 UZSWYNGTMRGZQX-HSZRJFAPSA-N 434.536 5.090 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2cccnc2)c1C 170187673 PYPKUBJNKLNBGL-DEOSSOPVSA-N 442.515 5.269 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1ccc(F)cc1 170243904 LQVJXJBFMQPKSE-QHCPKHFHSA-N 437.555 6.200 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccco2)cc1C 170285078 OYWFXNIHTKJXOI-QHCPKHFHSA-N 431.488 5.386 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc3ccccc23)[C@@H]1c1ccco1 170287327 IWAJRPGMVLCTEN-XMMPIXPASA-N 439.467 5.533 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccc(C)o2)cc1C 170302193 QZRIXCFDEAUQNQ-DEOSSOPVSA-N 445.515 5.695 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1ccc(F)cc1 170313951 KEOJAHOGUNILAI-SFHVURJKSA-N 427.884 5.632 30 10 IKEE CCCCCCCn1c(CCCCCNC(=O)/C=C\c2ccccc2)nc2ccccc21 205739753 JNKMNHKRGHOZRB-MRCUWXFGSA-N 431.624 6.549 30 10 IKEE CCCCCCC[C@@H](C(=O)O)N(C(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 226807011 FAKNXSGRMGMSBN-VWLOTQADSA-N 437.580 6.460 30 10 IKEE C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@]43C)[C@@H]1C/C(=C/c1ccc(C(F)(F)F)cc1)C2=O 253561773 CMCWTYNIVZMUIH-UZLDNOHPSA-N 430.554 7.701 30 10 IKEE N#C[C@@H](CNc1ccc(I)c(Br)c1)C1CCCCC1 397346196 NOGLBIQWCLVEQN-LBPRGKRZSA-N 433.131 5.186 30 10 IKEE CCN[C@H](C#Cc1ccccc1)c1ccc(Br)cc1NC(=O)OC(C)(C)C 407486771 HDZZXIWKNSWTOW-LJQANCHMSA-N 429.358 5.498 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@@H]2c2cccc(Cl)c2Cl)c1 526523325 XBUFLMVAAMEWQO-NRFANRHFSA-N 439.273 6.061 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccccc2O)c1 526744607 VUZZJQWFZXSWLE-OAQYLSRUSA-N 435.501 5.025 30 10 IKEE CCCOc1c(/C=N\n2c(CC)nnc2SCc2cccc(Cl)c2)cccc1OC 526811481 LXMNSBVCRXJOCK-OYKKKHCWSA-N 444.988 5.466 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1ccc(N(C)C)cc1 526815157 PKNRCTCUAHJGHB-FMCGGJTJSA-N 434.396 5.388 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1ccc(OC)c(OC)c1 526818971 JXEOVQBGLVLIDZ-MYYYXRDXSA-N 438.597 5.429 30 10 IKEE CC1(C)OB(C2=CC=c3c(c4c(n3-c3cccc(-c5ccccc5)c3)=CCC=C4)C2)OC1(C)C 575449176 YERYRYSGUFTUTO-UHFFFAOYSA-N 447.387 5.236 30 10 IKEE C=CCCN(c1ccc(Br)c(C)c1)S(=O)(=O)c1cc(Cl)ccc1OC 586258951 UABFWYKBOBHCSV-UHFFFAOYSA-N 444.778 5.191 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@](C)(C#N)Cc1ccccc1F 698483145 UKLKOBUMIVVSDS-NRFANRHFSA-N 433.321 5.855 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@](C)(C#N)Cc1ccc(Cl)cc1 698497746 ODHKCWKKYWKRGS-OAQYLSRUSA-N 449.776 6.369 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@]1(C#N)CCc2c(Br)cccc21 698859030 YAITUGSDFHWTIP-QFIPXVFZSA-N 433.390 6.074 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]([C@](C)(C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 699644849 PQVPRXOIGHBCHP-CPJSRVTESA-N 443.588 5.353 30 10 IKEE CCCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(OC)cc2)cc1 917613150 LWFUBUCQDYDIRG-UHFFFAOYSA-O 430.553 5.130 30 10 IKEE CCCCCCCCS(=O)(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1 1081086849 SYUOSPPTWRIEBK-UHFFFAOYSA-N 437.005 5.533 30 10 IKEE COc1ccc(Oc2ccc(C(F)(F)F)cc2N=Cc2c(O)ccc3ccccc23)cc1 1084117472 PMAQMVZFRBINRO-UHFFFAOYSA-N 437.417 7.116 30 10 IKEE COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=Nc3cc(C)ccc3C)NC2=O)o1 1084312682 NISUCCGFDAZTIZ-CIAFOILYSA-N 449.488 5.372 30 10 IKEE C=CCN1C(=O)/C(=C\c2cccc(Br)c2)S/C1=N/c1ccc(C)cc1O 1614236876 XMLNNXHWJALEON-LMDBJESCSA-N 429.339 5.253 30 10 IKEE CC(C)NC(=NOCc1cccc(Oc2ccccc2)c1)c1ccc(C(F)(F)F)cc1 1615217437 SRIQHKCOVOAREJ-UHFFFAOYSA-N 428.454 6.374 30 10 IKEE O=C1NC(=NN=Cc2c(-c3ccccc3)[nH]c3ccccc23)S[C@H]1Cc1ccc(F)cc1 1772742277 KIZMZIXVFPUBAT-QFIPXVFZSA-N 442.519 5.138 30 10 IKEE Cc1cccc(C(C)C)c1NC(=O)c1nc(C(=O)Nc2cccc(C#N)c2)n2ccccc12 1858241900 KTCPLRPKPMHWEL-UHFFFAOYSA-N 437.503 5.142 30 10 IKEE CCCCCCOc1ccc(NC(=O)C(=O)/C=C/c2ccc(OC)c(OCC)c2)cc1 1860729014 RTQPKEBTOIMTFW-OQLLNIDSSA-N 425.525 5.274 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccccc2C)cc1C 1862400828 NXNJTIZXXJNRBC-JKHABCDFSA-N 433.548 5.469 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccccc1Cl 1862417300 QIKYMYXLECVXJH-HXUWFJFHSA-N 433.882 5.777 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CCCCCC2)cc1 1862431221 BZOOCWLABHVDLM-QHCPKHFHSA-N 437.967 6.204 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc2cc[nH]c2c1)c1ccccc1Cl 1862432393 CXEGEAXAOKETIX-OAQYLSRUSA-N 448.931 5.661 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(O)c(O)c2)c1 1862488549 BZCGPGRORIMWGO-QHCPKHFHSA-N 435.520 5.016 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2ccccc2C)cc1 1862532372 HDFNQCJAYZYOLB-VWLOTQADSA-N 425.528 5.644 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cccc(OCCC)c1 1862550704 KBNXOPCCINJBHM-XMMPIXPASA-N 431.532 5.119 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1c(Cl)cccc1Cl 1862562736 MRUSQUGFYUDCKR-IBGZPJMESA-N 433.335 5.344 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862592591 GEZGVUDUEXYYRM-XMMPIXPASA-N 447.575 5.991 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(C(C)(C)C)cc2)=C(O)C(=O)N1C[C@H]1CCCO1 1862614108 XYYSHGGVHNBCRO-OFNKIYASSA-N 433.548 5.050 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2Cc2ccco2)c1 1862617056 UFROAQVXNSGXRG-HSZRJFAPSA-N 445.515 5.364 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1c(Cl)cccc1Cl 1862622117 AIWXVHQQHRJXSI-HXUWFJFHSA-N 446.374 6.278 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1F 1862638955 NRPUFBYMHWMVPD-IQMFZBJNSA-N 449.453 5.313 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(F)cc2)cc1 1862661280 CRERHHGVUPYWEG-HSZRJFAPSA-N 430.479 5.123 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc(O)cc2)cc1 1862663965 YZXMQENDDAETDU-YJGRUCBDSA-N 433.548 5.673 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2ccc(C)cc2)c1 1862698567 KCELDHRPYNXYHN-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2Cc2ccccn2)cc1 1862712878 BPBBEHMBQYGLQR-RUZDIDTESA-N 434.495 5.322 30 10 IKEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(C(C)(C)C)cc1 1862718586 AEIGVYACLGDTQD-MZNJEOGPSA-N 443.543 5.096 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(C(C)C)c(C)c3)C2=O)c1 1863032654 ZDZPRDKPOIHOOP-UHFFFAOYSA-N 449.554 6.004 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC2CC2)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863633119 LAUFUKWPZMZOQI-UHFFFAOYSA-N 437.411 5.966 30 10 IKEE C=CCN1C(=O)C(NCCCCCCCCCC)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863633402 SOSHBIFUSWNVRP-UHFFFAOYSA-N 437.411 5.990 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccncc2)=C(c2cccs2)C1=O 1863808217 ILZIMVWRMWXFHS-UHFFFAOYSA-N 425.598 5.154 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)CCCOc2ccc3ccccc3c2)c1 1865933894 WYNCSXILZCSHHK-UHFFFAOYSA-N 448.522 6.049 30 10 IKEE CC[C@](C)(NC(=O)[C@@H](c1ccc(Cl)cc1)C1CCCC1)C(=O)Nc1cccc(C#N)c1 1867007801 OEPCWBZZUUVNNO-RDGATRHJSA-N 437.971 5.409 30 10 IKEE CCCc1nc(Nc2ccccc2C#N)cc(N2[C@H](Cc3ccccc3)COCC2(C)C)n1 1868397544 CHZWHLMSPPSLAD-JOCHJYFZSA-N 441.579 5.271 30 10 IKEE N#Cc1cccc(Nc2cc(N3CC[C@@H](c4ccco4)C3)nc(-c3ccccc3Cl)n2)c1 1868404029 NRZLEUMXAVXBDH-GOSISDBHSA-N 441.922 5.999 30 10 IKEE COc1ccc2c(c1)CCN(c1cc(Nc3ccc(C#N)cc3)nc(-c3cccnc3)n1)[C@@H]2C 1868576529 UXPZNRIMQPQIIG-GOSISDBHSA-N 448.530 5.286 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3cc4cccc(C)c4nc32)nc(-c2ccccc2)n1 1869193480 GRKIKSHGWPHJRH-UHFFFAOYSA-N 433.559 5.873 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2F)c(=O)cc1CNc1ccccc1 1871246338 QRPYZBSFDXHLBL-UHFFFAOYSA-N 436.571 6.539 30 10 IKEE Cc1ccc(Cn2cc(OCc3ccc(C#N)cc3)c(=O)cc2CNc2ccc(C)cc2)cc1 1871255241 RDHBDRHZKAJZTK-UHFFFAOYSA-N 449.554 5.576 30 10 IKEE O=C1/C(=C/c2ccccc2F)Oc2c1ccc1c2CN(CCc2c[nH]c3ccccc23)CO1 1871344893 GVZFJQJFTXJJMJ-MXAYSNPKSA-N 440.474 5.318 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)cc(C)c3C2=O)c1 1871375188 XSUOOXKSLZYPDD-LABNAMAPSA-N 446.886 5.892 30 10 IKEE Cc1c(OCCCc2ccccc2)ccc2c1O/C(=C\c1ccc(Br)cc1)C2=O 1871399048 BCFNEOWCAORSNK-KQWNVCNZSA-N 449.344 6.385 30 10 IKEE CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(C)o1)C2=O 1871402631 KTBQSMJLJRSLLG-GMPVXANTSA-N 433.460 5.009 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(O[C@H](C)C(=O)Nc3ccccc3C)ccc2C1=O 1871405840 QOJKOARCRGVZIJ-SDPDQUOZSA-N 443.499 5.416 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)o2)C3=O)c1 1871412596 WNGQBFOLKNKOTH-OMMIQNFISA-N 431.488 5.535 30 10 IKEE CCCOC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 1871418655 FTYVXSXLCPCLBS-JLPGSUDCSA-N 428.484 5.610 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OCC(=O)Nc3ccccc3Cl)c2C)C1=O 1871455451 NHZMBEUFSJQPEJ-XKZIYDEJSA-N 433.891 5.591 30 10 IKEE CCc1ccccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccccc1Cl)C2=O 1871458788 LWCSBTBOODSSHF-QRVIBDJDSA-N 447.918 5.845 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4c(C)cc(C)cc4C)ccc3C2=O)c1 1871459136 SBEAGNRKYAYSMM-CFRMEGHHSA-N 427.500 5.554 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(F)cc2)[nH]c(N(C)CCCC)n1 1871515999 MBTMXTGXFUPQAM-UHFFFAOYSA-N 430.616 5.965 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1cccs1 1871837490 NFVZHCNXBKIWRJ-NRFANRHFSA-N 448.654 5.492 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(CC)cc1)[C@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872105799 FPEDILLMRPAKCQ-WZONZLPQSA-N 446.588 5.008 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cc(Cl)ccc1C)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1872471684 HTUHGNMXBXIDKD-HTAPYJJXSA-N 449.016 5.269 30 10 IKEE CCCCCCCCCCNC(=O)Cc1nonc1OCCCCOc1ccc(C)cc1 1872649282 RTUHTIIKEBPENW-UHFFFAOYSA-N 445.604 5.415 30 10 IKEE N#C[C@H](C(=O)COc1ccc(Cl)cc1)c1nc(-c2cccc(Br)c2)cs1 1872763705 RZRGXJYSDUHJLZ-MRXNPFEDSA-N 447.741 5.481 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)Cc2ccccc2[N+](=O)[O-])n1 1872786177 ZYFOOCVIAXHWFN-LJQANCHMSA-N 433.533 5.743 30 10 IKEE N#C[C@H](C(=O)/C=C\c1ccc(Cl)cc1)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872787842 SUJDWMFOPYEKKN-HQOGMNCSSA-N 433.747 6.660 30 10 IKEE Cc1nc(SCc2cccc(C(=O)Nc3ccccc3C(C)(C)C)c2)c(C#N)c(C)c1C 1872893049 DVZQUPJMISTPIU-UHFFFAOYSA-N 443.616 6.721 30 10 IKEE CCCCc1ccc(NC(=O)c2ccc(CSc3nc(C)c(C)c(C)c3C#N)cc2)cc1 1872895198 HIICQXNBAZJZIS-UHFFFAOYSA-N 443.616 6.766 30 10 IKEE CCCSc1nnc(C(C)C)n1/N=C/c1cccc(OCc2cccc(Cl)c2)c1 1873503715 WKYRNWKPBDWPCG-ZVHZXABRSA-N 428.989 6.018 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)n2CCC 1873612689 ISADUHBWBUILHY-UHFFFAOYSA-N 437.853 5.364 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(CCCC)cc1)n2CC 1873620168 XHQUGHGKNQLBBI-UHFFFAOYSA-N 449.643 6.819 30 10 IKEE C=CCn1c(C(=O)Nc2ccc3cc[nH]c3c2)cc2c(NCc3ccccc3F)ncnc21 1873636947 GTQZFZPPIFRVLT-UHFFFAOYSA-N 440.482 5.102 30 10 IKEE O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCc2c([nH]c3ccc(F)cc23)C1 1873780108 UEJGGBGQPZKAAS-UHFFFAOYSA-N 430.323 5.543 30 10 IKEE Cn1cccc1/C=N/n1c(CCc2ccccc2Cl)nnc1SCc1ccccc1 1874279098 UCTHWCMIPWAROZ-PCLIKHOPSA-N 435.984 5.230 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccccc3)n2/N=C/c2cccs2)CC1 1874287968 HFIDFVDMBMNYAK-KOEQRZSOSA-N 438.666 6.978 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2OC)n1/N=C/c1ccccc1Cl 1874314327 NQDQXYXMKOVRSA-ZVHZXABRSA-N 426.973 5.276 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(COc2cccc(C)c2C)nnc1SCC(=C)C 1874323265 GSQZJDRKUQEBSY-CVKSISIWSA-N 448.592 5.589 30 10 IKEE Clc1ccccc1CSc1nnc(CCc2cccs2)n1/N=C/c1ccccc1 1874371260 QMIRAXKFFVYHAQ-BUVRLJJBSA-N 439.009 5.953 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1cccc(O)c1 1874379167 DTUHKZYKGDEIQX-CVKSISIWSA-N 432.524 5.197 30 10 IKEE CCc1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCCc2ccccc2)cc1 1874380667 FHZWNNDDDPPWHP-TURZUDJPSA-N 444.579 5.787 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2-c2ccccc2)cc1O 1874429491 LWXHODVRFLAMGX-ZMOGYAJESA-N 436.924 5.184 30 10 IKEE CCCCc1nnc(SCc2ccccc2C)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874474960 BSPAYZGZPGGGLU-ZMOGYAJESA-N 444.988 5.471 30 10 IKEE COc1cc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CCC2)ccc1O 1874497135 WUWFYONJDRGDDK-CVKSISIWSA-N 444.560 5.588 30 10 IKEE C=CCSc1nnc(C(C)C)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1874514256 PFCHCQMKDCPNRG-ZVHZXABRSA-N 426.973 5.794 30 10 IKEE COc1cccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C(C)C)c1OC 1874515063 PIFDIDQRQCWYTP-CVKSISIWSA-N 446.576 5.746 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(C3CC3)n2/N=C/c2ccc(C(C)C)cc2)o1 1874519445 SZSSYJUZPPHCFF-ZMOGYAJESA-N 438.553 5.223 30 10 IKEE CSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1/N=C/c1cc(C)ccc1O 1874542417 ZWNWEIZYZVIPIB-ZMOGYAJESA-N 444.988 5.178 30 10 IKEE COc1ccc(/C=N/n2c(S)nnc2-c2cccs2)cc1OCc1ccc(C)cc1 1874558942 JGQWABBWWZFSHY-YDZHTSKRSA-N 436.562 5.074 30 10 IKEE Cc1ccc(C(=O)/C=C/c2c(OCC(=O)Nc3cc(C)ccc3C)ccc3ccccc23)cc1 1874579391 LCGMZDRNJFANLZ-FOCLMDBBSA-N 449.550 6.679 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2c(OCc3ccccc3C)ccc3ccccc23)c1 1874580951 NPJHMYGOHQBLOY-CCEZHUSRSA-N 438.523 6.641 30 10 IKEE Cc1cccc(COc2ccc(Cl)cc2/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)c1 1874590911 YAGWWQZOLGHVOT-JLHYYAGUSA-N 432.991 7.729 30 10 IKEE CCc1ccc(NC(=O)COc2cccc(/C=C/C(=O)c3ccc4ccccc4c3)c2)cc1 1874593111 SJLQFYIVTLCREQ-SFQUDFHCSA-N 435.523 6.316 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OCCc3ccccc3)c2)cc1OCCC 1874594389 HUNGDQBAPPIYRZ-FYWRMAATSA-N 444.571 6.782 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(Cl)c1OCc1cccc(F)c1 1874605217 JVHBJTGHLPTRCR-ZHACJKMWSA-N 440.898 6.362 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(OC)c1OCc1ccc(Cl)cc1 1874609111 YHEFVDUZSMSZQA-FMIVXFBMSA-N 443.326 6.486 30 10 IKEE Cc1ccc(COc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2[N+](=O)[O-])cc1 1874622373 DSLYSEUUXYYFAK-OQLLNIDSSA-N 429.516 6.676 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OCc1c(Cl)cccc1Cl 1874627755 UTMBECDJTBOFRL-WEVVVXLNSA-N 449.280 6.755 30 10 IKEE C=C(C)COc1c(OC)cc(/C=C/C(=O)c2cc(Cl)c(OC)cc2OC)cc1OC 1874631186 OSJXHLHHAAXCKA-BQYQJAHWSA-N 432.900 5.225 30 10 IKEE C=C(C)COc1c(OCC)cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc1[N+](=O)[O-] 1874634284 UJVMWIDCEIXRBW-BQYQJAHWSA-N 445.899 5.815 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1 1874638963 ASQZNNXFWVQVQL-VMPITWQZSA-N 431.290 6.616 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCCOc3ccc(C)cc3)c2)cc1 1874694538 IQKSZYPAXPAGIJ-QGOAFFKASA-N 428.528 6.218 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc1OC(=O)CCCSC 1874717757 BQWWJGVTYFPNLQ-RMKNXTFCSA-N 434.941 5.302 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)[C@H](C)c3ccccc3)c(OC)c2)cc1 1875099956 HIJPKFJWZGHXBF-NRMGUKERSA-N 444.527 5.871 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)CC(C)(C)C 1875125610 RGRXJEVFXYFJGS-MDWZMJQESA-N 426.940 6.315 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)cc2)cc1 1875129602 KQPBCBPNHQKJQQ-XDKDIUNFSA-N 446.930 6.344 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Br)c1OC(=O)C1CC1 1875136957 ONYMQVGNIUWFGG-IZZDOVSWSA-N 429.310 5.368 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2cc(C)ccc2C)cc1OC 1875137773 DLRRVAOEBTZCJG-OUKQBFOZSA-N 428.956 6.737 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)c1cccnc1 1875140758 WJJCLGDNZLIUIN-MDZDMXLPSA-N 435.907 5.866 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)c3ccccc3)c(OC)c2)c1 1875146936 HUEHHXZWFIYWGG-HGZMWJMZSA-N 446.499 5.318 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2Cl)cc1 1875150081 WOOOQJFFABDEFP-RMKNXTFCSA-N 434.875 5.421 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc(Cl)c2)c([N+](=O)[O-])c1)c1ccc(F)cc1 1875159650 ITXOFRXAOQJFQT-ONNFQVAWSA-N 425.799 5.503 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(C)c3C)cc2)cc1 1875167838 PBDYNJCQTIDCGG-SFQUDFHCSA-N 442.555 6.309 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2OC)ccc1OC(=O)c1ccc(C)cc1 1875176878 VGZBLMDDMFIDPA-RIYZIHGNSA-N 446.499 5.526 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2OC)cc1 1875178953 LSRIIBNCTOCASF-VGOFMYFVSA-N 430.500 5.826 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)CCc3ccc(Cl)cc3)cc2)c(C)c1 1875182699 QIAQCQQCPHVTDO-RIYZIHGNSA-N 432.947 6.700 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1Cl 1875187134 LRVJIUKLJQYZGC-XYOKQWHBSA-N 437.835 5.372 30 10 IKEE CN[C@@H](CC#CC1CC1)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875685167 AEASACZEHNXRRG-LITSAYRRSA-N 441.571 5.270 30 10 IKEE C#CC[C@@H](C)C[C@@H](NCCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1887451200 CSSSUFSHBMIFCM-UFHPHHKVSA-N 441.615 6.935 30 10 IKEE CN(CC#CCNC(=O)CCc1cc(C(C)(C)C)cc(C(C)(C)C)c1)Cc1ccccc1 1891227644 NYUKWRSEVRCBNX-UHFFFAOYSA-N 432.652 5.466 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1cc(Br)ccc1Br 1922090375 YPJNLTUOZYQHJM-LJQANCHMSA-N 439.191 5.635 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(C(=O)OC(C)(C)C)C23CCC3)cc1 2015372461 JPFFSXOODOAINX-XMMPIXPASA-N 427.545 5.172 30 10 IKEE C=CCCCCCCCCC(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2026311786 CHDHENKGUWAPPL-HSZRJFAPSA-N 430.633 5.888 30 10 IKEE CCC1(NC(=O)OC(C)(C)C)CC(C#N)(N(C(=O)OC(C)(C)C)c2ccccc2OC)C1 2035399908 KCDKEZWDVDYHJP-UHFFFAOYSA-N 445.560 5.166 30 10 IKEE CCCCCCCCCC[C@@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NC 2035465745 VOZHMKMFTWMSFD-DQEYMECFSA-N 448.692 6.605 30 10 IKEE CCCCCCC[C@H](NCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2041898469 ZSVRFYCFYGJHKG-IGKIAQTJSA-N 446.676 6.169 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)c1 2071501046 MNHCZBRDZBCISA-NNPDTBDGSA-N 441.572 5.418 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCC)c2ccc(Br)c(Cl)c2)C1 2077089345 GTWWSHKCJBAGRC-INIZCTEOSA-N 429.786 5.367 30 10 IKEE C[C@@H](c1ccc(C2CC2)cc1)n1nc(C2CCC2)c(/C=N/O)c1I 2079040527 QBXOTLXQSJUJDF-OVMKCGGTSA-N 435.309 5.050 30 10 IKEE CCCc1ccc([C@@H](n2nc(C(F)(F)F)c(C=NO)c2Br)C(C)(C)C)cc1 2079925352 LMMXRHNDNYFHNL-MRXNPFEDSA-N 446.311 6.061 30 10 IKEE CC[C@@H](c1ccc(C(C)C)cc1)n1nc(C(C)(C)C)c(C#N)c1I 2079971794 MCHNAMMLWMCYNJ-KRWDZBQOSA-N 435.353 5.780 30 10 IKEE CCOC(=O)c1c(C(F)(F)F)nn([C@H](CC)c2ccc(C(F)(F)F)c(F)c2)c1Cl 2080052193 JYDYXMKUUZCMQT-LLVKDONJSA-N 446.750 5.889 30 10 IKEE COc1ccc([C@@H](n2nc(C(F)(F)F)c(C#N)c2Br)C2(C)CC2)cc1F 2080119590 MZSPWROWFGDSQR-CQSZACIVSA-N 432.215 5.073 30 10 IKEE C=CCC[C@@H](C)[C@H](NCCC)c1ccc(Br)cc1I 2142286700 GZZQKFYDDVHBQG-WBMJQRKESA-N 436.175 5.697 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H](C2(Nc3ccc(C#N)c(Br)c3F)CC2)C1 2162336237 VFWBMDXZQKWAMC-CQSZACIVSA-N 438.341 5.051 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CC[C@H]2CCCN[C@H]2C1 2166979541 JSXMPOAVOXBMDD-FYINFDKHSA-N 434.378 5.005 30 10 IKEE CN(c1cc(Br)c(C#N)cc1F)[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21 2190460626 PSDUOWBDMZVXHO-DZKDUJFISA-N 429.333 5.280 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCCC)c2ccc(Br)cc2F)C1 2192226584 SRMUDEVMKMCLBH-GOSISDBHSA-N 441.385 5.490 30 10 IKEE CC(C)(C)OC(=O)NC1(c2ccccc2Nc2cc(Br)cc(C#N)c2)CC1 2199693058 NHINQTJWARGILW-UHFFFAOYSA-N 428.330 5.578 30 10 IKEE CC(C)(C)OC(=O)NC1(CNc2cc(Br)cc(C#N)c2)CCC(F)(F)CC1 2201479395 DAFNAIODQMATON-UHFFFAOYSA-N 444.320 5.205 30 10 IKEE C=CCC1([C@@H](NCC)c2cc(F)c(Br)c(F)c2)CN(C(=O)OC(C)(C)C)C1 2207141351 DWXCVJSZTXLZIG-KRWDZBQOSA-N 445.348 5.191 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1cc(Cl)ccc1NC(=O)OC(C)(C)C 2217374494 CQZNGLDZWKLLJR-QHCPKHFHSA-N 445.003 6.501 30 10 IKEE CCCCCC#CC[C@H](N)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237419686 HIPAMOLSHANEKO-PMACEKPBSA-N 437.422 5.186 30 10 IKEE CC(C)c1cc(Br)cc([C@@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)c1 2241401761 MCJCVDXJDYKLCJ-OAQYLSRUSA-N 443.385 6.574 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCC(=O)O)c1cc(Br)c(Cl)s1 2251939272 XNUIVKXKJXBKIQ-MRXNPFEDSA-N 431.735 5.079 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Br)cc([C@H](O)C#Cc2ccccc2Cl)c1 2277871021 RKSJYHSJYUNNSB-GOSISDBHSA-N 436.733 5.535 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](CNc2c(Br)cccc2C#N)(C(C)(C)C)C1 2285178830 JLHJFHSRUVTYRN-NRFANRHFSA-N 436.394 5.406 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CCC[C@H](C1)[C@@H]2Nc1ccc(C#N)c(Br)c1 2285853846 LCQDQXKVPACNRH-ULZXJZRSSA-N 434.378 5.205 30 10 IKEE CCCCCCCN=C(CC)c1c(C(F)(F)F)[nH]n(-c2nc3ccccc3s2)c1=O 2296405739 SAVMAVGCQZBMKQ-UHFFFAOYSA-N 438.519 5.964 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(OCC=Cc4ccccc4)c3C)C2=O)c2ccccc21 2296872134 VTWNAFPHVFGPMF-UHFFFAOYSA-N 435.523 6.678 30 10 IKEE COc1cccc(C[C@@H]2Nc3cc4cc(C)ccc4nc3SC2=Nc2cccc(C)c2)c1 2297707527 RUVCZBYRZIMFIQ-DEOSSOPVSA-N 439.584 6.719 30 10 IKEE CCOc1ccc(N=C2NC(=O)C(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)S2)cc1 2313560063 IAHWVOBUSGPSPC-UHFFFAOYSA-N 435.524 5.524 30 10 IKEE Cc1cc(C)c(-c2nn(-c3ccccc3)cc2C=C2Oc3cc(C)c(C)cc3C2=O)c(C)c1 2314519414 NJTVOLOXUHWLHE-UHFFFAOYSA-N 434.539 6.698 30 10 IKEE CCCOc1ccc(C=Nn2cnnc2SCc2cccc3ccccc23)cc1Cl 2318571010 AFYCBVQJCJUWKF-UHFFFAOYSA-N 436.968 6.048 30 10 IKEE CCOc1cc(C=NNc2oc([C@H]3C[C@H]3c3ccccc3)nc2C#N)ccc1OC(C)C 2320837456 YLVTUHITVZEMHW-PMACEKPBSA-N 430.508 5.449 30 10 IKEE CCCSc1nnc(C2CC2)n1N=Cc1cccc(OC)c1OCc1cccc(C)c1 2320868059 TTYVOSDPGRMRLC-UHFFFAOYSA-N 436.581 5.436 30 10 IKEE Cc1ccccc1COc1cc(C)c2c(c1)OC(=Cc1cccc(Br)c1)C2=O 2321740063 HPGXZVXUDUAFSW-UHFFFAOYSA-N 435.317 6.261 30 10 IKEE CCCCc1nnc(S)n1N=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1 2321911216 UUHDGBHMRLCKQS-UHFFFAOYSA-N 435.380 5.677 30 10 IKEE O=C1C(=Cc2cccc([N+](=O)[O-])c2)Oc2c1ccc1c2CN(CCC2=CCCCC2)CO1 2322106805 WLXMVHMUBLDDGO-UHFFFAOYSA-N 432.476 5.253 30 10 IKEE CCc1ccc([C@H](C)N2COc3cc(C)c4c(c3C2)OC(=Cc2ccc(C)cc2)C4=O)cc1 2322260009 BBZKHBLVDWTEGY-FQEVSTJZSA-N 439.555 6.395 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2ccccc2C)cc1 2322565275 TVJHRIQHGHBZIS-UHFFFAOYSA-N 445.515 5.316 30 10 IKEE O=c1c(Cl)c(NN=Cc2ccccc2Cl)cnn1-c1ccc(Cl)c(Cl)c1 2322617395 QOCOBYSUOVVSMO-UHFFFAOYSA-N 428.106 5.292 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccccc1OCC(=O)N[C@@H](C)c1ccccc1 2322638268 DTBBVVJJFYYJTC-FQEVSTJZSA-N 429.516 5.156 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2cc(C)ccc2C)c(OC)c1 2322904171 OGEXUNICXWWSTP-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE COc1cc(C=NNc2ccc(C)c(C)c2)cc([N+](=O)[O-])c1OCc1cc(C)ccc1C 2322922693 ZNZUBWPZTBGRLI-UHFFFAOYSA-N 433.508 5.862 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1C 2322981452 XADHEOCUCCJESL-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE O=C(C=Cc1cccc(OCc2ccccc2Cl)c1)c1ccc(Br)cc1 2323086001 IZYNPRSEWCZSGZ-UHFFFAOYSA-N 427.725 6.578 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc2c(c1C)OC(=Cc1ccccc1F)C2=O 2323176466 BIXGHXPBZOLVRE-UHFFFAOYSA-N 446.474 5.823 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1cc(C)c2c(c1)OC(=Cc1cccnc1)C2=O 2323176651 WMDUQUIXXQYHEA-UHFFFAOYSA-N 429.472 5.079 30 10 IKEE COc1cc(C=NNc2nc(C)c(C)c(O)n2)ccc1OCc1ccc(C(C)(C)C)cc1 2323240329 PDDSLWKOEIWWSB-UHFFFAOYSA-N 434.540 5.130 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc(Cl)c2)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 2323374563 JAIYADRDEAPGIG-UHFFFAOYSA-N 438.823 5.632 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(OC(=O)C=Cc4cccs4)c3C)C2=O)cc1 2323530463 LNOZAXWSMRWTRS-UHFFFAOYSA-N 432.497 5.690 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc2C1=O 2323701559 XFPHRRJTKLKOSX-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc(OC(C)C)cc4)c3C)C2=O)cc1 2323813255 QJKKDUDDKICCRP-UHFFFAOYSA-N 444.483 5.626 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OCC(=O)Nc1nccs1 2323919592 NZDHBAVHEHMSCT-UHFFFAOYSA-N 448.544 5.102 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1Cl 2324074522 JEFNIABBZPNJBE-UHFFFAOYSA-N 448.990 7.511 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(OC)c(OC)c3)n2)cc1C 2324406290 CQUGBHWEGHQHKI-GOSISDBHSA-N 434.517 5.034 30 10 IKEE N#C[C@H](C(=O)C=Cc1ccc(Cl)cc1)c1nc(-c2cccc(Br)c2)cs1 2324439554 XXNSMECKARLTMJ-QGZVFWFLSA-N 443.753 6.116 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4cc(C)ccc4C)cc(C)c3C2=O)cc1 2324455967 BYTSYFFHVAGARG-FQEVSTJZSA-N 441.527 5.942 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccncc2)C3=O)c(C)c1 2324494564 BUNDDMYSRHBXJG-SFHVURJKSA-N 428.488 5.029 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(C)cc3)n2)cc1C(C)C 2324693645 XSOQGXKXENHGJN-QFIPXVFZSA-N 430.573 6.449 30 10 IKEE CCOC(COc1cc(C)c2c(c1)OC(=Cc1ccccc1Br)C2=O)OCC 2324741605 XNYMDLOZEDVLGN-UHFFFAOYSA-N 447.325 5.152 30 10 IKEE Cc1cc(C)c(COc2cc(C)c3c(c2)OC(=Cc2ccc4c(c2)OCO4)C3=O)cc1C 2324765431 FGLHBWYGOIZEOI-UHFFFAOYSA-N 428.484 5.844 30 10 IKEE COC(=O)c1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1 2324824021 SKQAXFFPOXEKGT-CQSZACIVSA-N 428.922 5.201 30 10 IKEE Cc1c(OCC(=O)OCC(C)C)ccc2c1OC(=Cc1c(Cl)cccc1Cl)C2=O 2325068571 IGZPXHMPCMKWEQ-UHFFFAOYSA-N 435.303 5.496 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(F)c(F)c2)cc2c1C(=O)C(=Cc1cccc(F)c1)O2 2325522030 LDWVIOKBIUUHGF-UHFFFAOYSA-N 439.389 5.046 30 10 IKEE COc1cccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2sccc2C)C3=O)c1 2325576410 PROIMTVFUKVVEG-UHFFFAOYSA-N 435.501 5.007 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(Cl)cc3)c2)cc1OC 2325703236 JBTNCBYNVNBJNN-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE Cc1cccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)c1 2325727499 NRSRXFDYLAQHOH-UHFFFAOYSA-N 442.515 5.003 30 10 IKEE COc1ccc(CCC(=O)Oc2cccc(C=CC(=O)c3cc(C)cc(C)c3OC)c2)cc1 2325757765 ORZNUQPIDPUCPY-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE CCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccc(F)cc1F 2326058155 BPSNITQCHHJAFY-UHFFFAOYSA-N 436.915 5.216 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1N=Cc1cccc(OCC(C)C)c1 2326388765 NCBSTTSHRANYQP-UHFFFAOYSA-N 436.625 6.138 30 10 IKEE Cc1cc(C)cc(CSc2nncn2N=Cc2ccccc2OCc2ccccc2)c1 2326396438 DIEPBFZDCMHUBC-UHFFFAOYSA-N 428.561 5.648 30 10 IKEE CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccc(C(F)(F)F)cc1 2326900896 UOHVHIZBUWMLOZ-UHFFFAOYSA-N 448.558 6.050 30 10 IKEE CSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1cccc(Br)c1 2327235206 HEPAJGHYODUNOS-UHFFFAOYSA-N 445.386 5.149 30 10 IKEE CCSc1nnc(CCc2ccccc2Cl)n1N=Cc1cccc(Br)c1 2327950818 LRDRNIJXLLUQGW-UHFFFAOYSA-N 449.805 5.473 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(COc2c(C)cccc2C)nnc1SC 2328543676 STGXSZANRGWKPF-UHFFFAOYSA-N 432.549 5.240 30 10 IKEE C=CCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1cccc(Br)c1 2329115643 MSVTYORIBVJBED-UHFFFAOYSA-N 447.789 5.445 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc4ccccc34)n2N=Cc2ccc[nH]2)cc1 2330019739 FUSOXODDYLVHAQ-UHFFFAOYSA-N 437.572 5.833 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccccc2)n1N=Cc1ccc(Cl)cc1 2330108553 TVWUDKRFFFFGIN-SFHVURJKSA-N 432.980 6.258 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cccn1C 2330129311 DMWYZPIQUDABNB-KRWDZBQOSA-N 435.984 5.596 30 10 IKEE Fc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCCc2ccccc2)cc1 2330197069 FBFWMOLEEVPCPY-UHFFFAOYSA-N 430.552 5.419 30 10 IKEE Cc1cccc(CSc2nnc(Cc3cccs3)n2N=Cc2cc(C)ccc2O)c1 2330346165 ABUAZEPEASUSSG-UHFFFAOYSA-N 434.590 5.427 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccccc3)n2N=Cc2ccccc2C(=O)O)c1 2330672175 GIXDQNDRKKQDFB-UHFFFAOYSA-N 442.544 5.435 30 10 IKEE CC(C)(C)Cc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1cccc(Cl)c1 2330805430 MOGQJVLXZXRKTC-UHFFFAOYSA-N 441.988 5.133 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] 2331129177 ZNMHKFZDARKDBJ-UHFFFAOYSA-N 443.927 6.800 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)CC(C)(C)C 2331135931 ZKHFJCUFHQNBKQ-UHFFFAOYSA-N 426.940 6.315 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)CCCSC 2331319302 CMVLQNNCDZTBBG-UHFFFAOYSA-N 428.550 5.265 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c(F)c2)cc1OC 2331467528 AROXQKSIFCIRII-UHFFFAOYSA-N 442.527 6.395 30 10 IKEE Oc1cccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C2CCC2)c1 2331533320 HXDRKVZNLYADBY-UHFFFAOYSA-N 433.364 5.733 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccc(C)cc3C)cc2)c(C)c1C 2331612263 YAEMJKJJQJIKHU-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1OC(=O)C1CC1 2331649234 VODFUJLDSNRURJ-UHFFFAOYSA-N 426.940 6.184 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)c1cc(C)cc(C)c1 2331705603 MTBWJEPELWWFEV-UHFFFAOYSA-N 444.527 6.053 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3OC)cc2)c(OCC)c1 2331733778 LOYYYQRTJOHGJY-UHFFFAOYSA-N 446.499 5.608 30 10 IKEE CCc1csc(C#CC(=O)c2ccc(NC(=O)OC(C)(C)C)c(Br)c2)n1 2338592238 LSYOLXQWQYRIGZ-UHFFFAOYSA-N 435.343 5.049 30 10 IKEE CC(C)C(C)(C)CSCc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1 2349809107 NEVSPFRJDZGLFN-UHFFFAOYSA-N 427.257 5.664 30 10 IKEE CCCCCCC[C@H](Cc1ccc(I)c(Br)c1)NC 2349913856 RKNDCPIBJFRFHB-CQSZACIVSA-N 438.191 5.545 30 10 IKEE CN[C@H](C#Cc1cccc(Br)c1)c1ccc(NC(=O)OC(C)(C)C)cc1Cl 2361048985 MUWAEIMBAZVUHL-LJQANCHMSA-N 449.776 5.762 30 10 IKEE CCCN[C@@H](C#C[C@@H]1CC1(C)C)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2365089368 YVIBBBUXQBSPMQ-BEFAXECRSA-N 435.406 5.886 30 10 IKEE Cc1ccccc1-n1c(=S)sc2c(=O)n(-c3ccccc3F)c(SCC#N)nc21 3026522 MNZBBRUNDXYTPB-UHFFFAOYSA-N 440.550 5.031 30 10 IKEE CC(C)=CCC[C@@H](C=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 5158720 BDXXTCGLJBYHHM-ILLHTMCHSA-N 440.712 7.658 30 10 IKEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(Cl)cc1Cl 19811629 YOMBTMHANFPWMB-UHFFFAOYSA-N 440.783 6.296 30 10 IKEE COc1cccc(CSc2nnc(N/N=C/c3cccc(Oc4ccccc4)c3)[nH]2)c1 21038288 FSCRYUKWVJRNNG-BUVRLJJBSA-N 431.521 5.344 30 10 IKEE CN(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(Cl)cc2)cc1 21222617 ZZWJBQGIFAGBDN-WINIVTDRSA-N 443.978 6.386 30 10 IKEE CCOc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1cccc(OC)c1)C2 21226597 ITDHVNKHLITODG-GDJIYFAZSA-N 440.543 6.073 30 10 IKEE CC[C@@H](C(=O)Nc1sc2c(c1C#N)CCCC2)n1c(=O)cc(C)c2cc(C)cc(C)c21 32527470 CZUSPYSGVXMDNL-FQEVSTJZSA-N 433.577 5.329 30 10 IKEE C#CCOc1c(Cl)cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 33424133 ONLPZLXFPNNZMR-GZTJUZNOSA-N 434.300 5.255 30 10 IKEE Cc1ccc(C(=O)Oc2ccccc2/C=C2/Oc3ccc(Br)cc3C2=O)cc1 34703448 VANFNKDQUAZNRP-CIAFOILYSA-N 435.273 5.593 30 10 IKEE O=C(/C=C/c1ccc(-c2nc3ccccc3s2)o1)c1ccc(-c2ccccc2Cl)o1 34737555 LHYXVJWKYZKGSC-PKNBQFBNSA-N 431.900 7.366 30 10 IKEE C=CCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccccc2)c1 39824892 GHUVHXXITAXBCE-VWLOTQADSA-N 437.495 5.412 30 10 IKEE COc1ccc(/C(C)=C2\S/C(=N/c3ccncc3Cl)N(c3ccccc3)C2=O)cc1 39864557 OYOIHYUKWRDZTF-GNDHVBMESA-N 435.936 5.942 30 10 IKEE C=C(C)C(=O)NCCCc1nc2ccccc2n1CCCCOc1ccccc1C(C)C 40210191 IVUBTFRZRNESEU-UHFFFAOYSA-N 433.596 5.644 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)OCc4ccccc4)cc(C)c3C2=O)cc1 41432635 TZHGWDFNSNSNQW-OYKKKHCWSA-N 428.484 5.296 30 10 IKEE Cc1ccccc1N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 59147045 CXQLKMSMHMLTOH-ROMGYVFFSA-N 434.337 5.163 30 10 IKEE CCCn1c2ccccc2c2nnc(N/N=C/c3ccccc3OCc3ccccc3)nc21 64981496 DPEPAGPRHCHCQS-WPWMEQJKSA-N 436.519 5.415 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(OC(=O)c3ccccc3F)c(Cl)c2)SC1=S 96640313 RNOCWFLRPCOQEB-GZTJUZNOSA-N 433.913 5.086 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)S/C1=N/c1nc(C)cs1 101129161 ZCPZATPOACRPEI-MDRWVBAWSA-N 429.954 5.989 30 10 IKEE N#Cc1c(Br)cccc1Oc1ccc(Br)cc1Br 168637562 BIIXVYOOMKFQGD-UHFFFAOYSA-N 431.909 5.638 30 10 IKEE CCCN1C(=S)N[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)c2ccccc2)=C1C 169928771 YLYNXAZKOXGNMN-QHCPKHFHSA-N 438.593 5.282 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(F)cc2)c1 169929471 PDDTZGVUVJWYMH-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1ccccc1OC 169941819 PHNPXGTTWPXQLX-XMMPIXPASA-N 443.499 5.104 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(O)cc2)c1 169960532 QLEOKHDAMPNGQD-DEOSSOPVSA-N 439.467 5.538 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc4ccccc34)[C@H]2c2cccs2)c1 169986125 ZSUYJCBXEZZXNU-DEOSSOPVSA-N 439.536 6.301 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2ccccn2)c1 169993900 WIOXHLFVNIQWDA-QFIPXVFZSA-N 448.906 5.225 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2ccccc2)cc1 170032347 AKQXWXJALQZPFQ-XMMPIXPASA-N 443.499 5.267 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccccc2F)cc1 170069588 HUHCXPAZTCEEJJ-HSZRJFAPSA-N 443.430 5.363 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(O)cc2)cc1 170133064 QFTRXUIRDPDDAP-QHCPKHFHSA-N 425.440 5.230 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2Cc2ccccn2)c1 170144240 HXXRLNKJENQBLI-VWLOTQADSA-N 438.527 5.047 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2)[C@H]1c1ccccc1OC(C)C 170150909 CSOOXUGPHIOWTO-HSZRJFAPSA-N 437.536 5.251 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2cccs2)cc1OC 170158746 YFCIIEKDPNBFPN-JOCHJYFZSA-N 449.528 5.165 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Br)ccc3o2)[C@H]1c1cccs1 170165439 OWMVEDCOPVVKHM-QGZVFWFLSA-N 446.322 5.245 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccs1 170166252 QGOSXZLVVIBWKR-QFIPXVFZSA-N 435.545 5.295 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cccs1)c1ccc(Br)cc1 170166574 QIWMRXGGEGFMFI-QGZVFWFLSA-N 432.339 5.032 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)[C@H]2c2ccccn2)c1 170170700 IFJYMUQGBHMATE-JOCHJYFZSA-N 444.874 5.573 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccccn2)c1 170173820 YTJXCSWYNUZSMK-QFIPXVFZSA-N 448.906 5.305 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1cccnc1)c1cccc2ccccc12 170191530 YKEFGIOPASLOLC-QHCPKHFHSA-N 442.421 5.296 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccncc2)cc1 170202334 QLFNGKTUIWLZSJ-DEOSSOPVSA-N 442.515 5.270 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cc(C)c(OC)cc3C)=C(O)C(=O)N2C2CCCC2)c1 170218873 OHHSOZAUDDSPNV-XMMPIXPASA-N 449.547 5.232 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2ccccc2)cc1C 170221517 KMKKVWJGUUZTKR-XMMPIXPASA-N 443.499 5.185 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@@H]1c1ccc(Cl)cc1 170236260 DZJALYKHVJUQDA-IBGZPJMESA-N 448.346 5.689 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2C2CCCC2)cc1 170268681 RVFKLNHCTWARLW-RUZDIDTESA-N 445.603 6.376 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)c(Cl)c2)=C(O)C(=O)N1C[C@H]1CCCO1 170273649 ZGBONHFGUYWFHI-QRWLVFNGSA-N 446.330 5.059 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1Cc1cccnc1 170274853 IINSVWFFFVWDGW-RUZDIDTESA-N 434.495 5.322 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccco2)cc1C(C)(C)C 170281552 ZPQLGFLOUAQWAQ-JOCHJYFZSA-N 449.478 5.508 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccco2)cc1 170286991 KJXXCSXJRJNCPZ-NRFANRHFSA-N 437.879 5.503 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccco2)c(OCC)c1 170287564 DEGUXGPPKXJRHZ-QHCPKHFHSA-N 447.487 5.168 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2sccc2C)cc1OC 170315452 RROGJXUXGQUOEO-OAQYLSRUSA-N 449.528 5.165 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(OC)cc2)c1 170409546 OONGIGDRPCMCQR-JOCHJYFZSA-N 449.528 5.328 30 10 IKEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)CC(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 170471413 VHTSGXLMGWLQHY-RUZDIDTESA-N 449.591 5.894 30 10 IKEE O=C(C1=C(O)C(=O)N(c2nc3c(F)cc(F)cc3s2)[C@@H]1c1cccs1)c1ccco1 170477218 BIUAMCPTGUILEM-MRXNPFEDSA-N 444.440 5.012 30 10 IKEE CCCCCCCSc1nc2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2s1 196079323 HSVGHVNJSBRRET-SLUIBLPYSA-N 426.607 5.670 30 10 IKEE CCCOc1ccc(C(F)(F)F)cc1NC(=O)/C=C\c1ccc(OCC#N)c(OC)c1 214411843 GFJANAMLTNRZQC-UITAMQMPSA-N 434.414 5.057 30 10 IKEE C=C(C(C)C)[C@H](CC)CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 257377764 ALRMQDKADQHRGT-LQBJQIFGSA-N 440.756 8.581 30 10 IKEE CC(C)c1ccc(NC2=C(Sc3ccccc3)C(=O)N(c3ccccc3C#N)C2=O)cc1 526636946 OOYJVVFOUQFWMF-UHFFFAOYSA-N 439.540 5.671 30 10 IKEE C=CCCN(c1ccc(OCC(C)C)cc1)S(=O)(=O)c1ccc(Br)cc1 586208855 VCDMZUSVTPJNIZ-UHFFFAOYSA-N 438.387 5.255 30 10 IKEE C=C(C)CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586251772 BVUILNFXOWIZBV-UHFFFAOYSA-N 435.589 6.548 30 10 IKEE CCCN[C@@H](CC#CC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 705505526 FWVITJOTMPBZRV-ACIOBRDBSA-N 430.633 5.293 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C1 724032778 NERYCQQFKMZKMV-MWTRTKDXSA-N 433.524 5.297 30 10 IKEE CCCCCCCCCCOc1ccc(N=Nc2ccc(CCCC)cc2)cc1Cl 725325562 XNPSICOEIMXVHK-UHFFFAOYSA-N 429.048 9.618 30 10 IKEE CC(/C=N\N=C1/S/C(=C\c2cccnc2)C(=O)N1Cc1ccco1)=C\c1ccccc1 1554646534 RENBDECNXOOQQQ-CMDJTXRVSA-N 428.517 5.236 30 10 IKEE CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)O[C@@H](C#N)c1ccc(C(=O)c2ccccc2)s1 1614949998 QZBJJONELUBFOV-GLJUWKHASA-N 434.344 5.678 30 10 IKEE CCCCCCCCCCCCN1C(=O)[C@@H]2c3cc4c(cc3C[C@@H](C)[C@@H]2C1=O)OCO4 1616046658 NHUYNJGLBWETBM-PUZWTLIVSA-N 427.585 5.597 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)[C@H](C)Oc1ccc(C(C)C)cc1 1861682614 JQZLOUNKAILHQH-WXVAWEFUSA-N 446.676 6.119 30 10 IKEE CCCCCCCCCCNC(=O)CNC(=O)CCCOc1ccc(C(C)(C)C)cc1 1861687216 BVOTVCMZZWVSPO-UHFFFAOYSA-N 432.649 5.516 30 10 IKEE N#Cc1ccc(NC(=O)c2cc(CCc3ccccc3)n(Cc3ccccc3Cl)n2)cc1 1862330317 YUBZOEGMBURQBA-UHFFFAOYSA-N 440.934 5.494 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1Cl 1862379913 OIWKXDHCQFMWMQ-OAQYLSRUSA-N 444.358 6.295 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(OC)cc1 1862385652 UWVYXKJHWNLJBN-CWTRNNRKSA-N 434.319 5.379 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc(F)c1 1862431026 XYWQLIIXJPYRLS-OYHNWAKOSA-N 435.882 5.819 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862438132 HQWNGBXSGOPCHI-ADLMAVQZSA-N 449.290 5.278 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(Cl)c(Cl)c1 1862442867 HFKFPPZCZUZGSA-GOSISDBHSA-N 438.738 5.881 30 10 IKEE CCOc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCCC2)ccc1O 1862479761 PNAMFOFUXLPJPY-QHCPKHFHSA-N 435.520 5.010 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC(C)C)c(OC)c1 1862485203 XPUJDRFDOUOLIO-QHCPKHFHSA-N 437.536 5.169 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CC(C)C)cc1 1862497627 PDUIZXUPSSOOLG-VWLOTQADSA-N 449.591 6.107 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CC)cc1 1862510963 HQHSJFJPWKZNNJ-QFIPXVFZSA-N 425.500 5.301 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2cccc(Cl)c2)cc1 1862515668 DPKZLRIGMQEJMZ-JOCHJYFZSA-N 441.955 5.753 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2cccc(Cl)c2)cc1 1862535522 DXAFHDMTWJVYIK-HSZRJFAPSA-N 449.909 5.820 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(CC)cc1 1862556229 RJURHSHADPVEIV-LADGPHEKSA-N 434.580 5.768 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)cc1 1862649136 QVHIIHBSHXBHAG-YQIFXUADSA-N 439.555 6.305 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(OCCC)cc1 1862681510 BMNMWHMGFZXECJ-HSZRJFAPSA-N 439.527 5.773 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 1862681757 ATKDMJQHIRWATF-HXUWFJFHSA-N 449.444 6.003 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(OCc2ccccc2C)cc1 1862684663 CBTJXZMQFNIKHP-XMMPIXPASA-N 445.490 5.311 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@H]2c2cccc(C)c2)cc1 1862686992 FTBPKMDYLBUDNW-VWLOTQADSA-N 441.527 5.133 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@H]2c2ccc(C)cc2)c1 1862699391 UKZPBMJGLBHPKP-VWLOTQADSA-N 441.527 5.133 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862717357 BEBWQLDMXJKXSG-QFIPXVFZSA-N 430.460 5.126 30 10 IKEE Cc1cccc(NC2=C(c3ccc(OC(C)C)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1862989535 DKYUNRZYFHZTOF-UHFFFAOYSA-N 437.499 5.051 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cccc(C)c2C)=C(c2ccc(C)cc2)C1=O 1863261920 GBSROPNPLRTWTL-UHFFFAOYSA-N 446.635 6.945 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2cccs2)=C(c2ccc(F)cc2F)C1=O 1863661672 SBVYSNUYCXSEPI-UHFFFAOYSA-N 432.536 5.257 30 10 IKEE CCCCCCCCCCNC1=C(c2cc(Cl)ccc2Cl)C(=O)N(C2CC2)C1=O 1863724994 NGIDOXAFHDQZPX-UHFFFAOYSA-N 437.411 5.966 30 10 IKEE Cc1ccccc1-c1nc(Nc2cccc(C#N)c2)cc(N2CCN(CC(C)(C)C)CC2)n1 1868292875 OUMZTYWWAYCNPS-UHFFFAOYSA-N 440.595 5.235 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](CCC)NC(=O)[C@H](CC(C)C)c1cccc(Br)c1 1869012890 FWVXBPDCUOXIDI-RTWAWAEBSA-N 449.433 5.064 30 10 IKEE C=CCOc1cn(C[C@@H](c2ccccc2)N2CCCC2)c(CNc2ccccc2C)cc1=O 1870811502 AEUZBINQTMMSDZ-SANMLTNESA-N 443.591 5.171 30 10 IKEE C=CCn1cc(OCC2CCCCC2)c(=O)cc1CNc1ccc(Cc2ccccc2)cc1 1870913507 REDXBIXZCDZDNH-UHFFFAOYSA-N 442.603 6.196 30 10 IKEE COc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2cccc(C)c2)C4)cc1 1871347917 DXYOWOUCQSIXDD-CFRMEGHHSA-N 427.500 5.280 30 10 IKEE Cc1cccc(CN2COc3cc(C)c4c(c3C2)O/C(=C\c2cccc(Cl)c2)C4=O)c1 1871348229 ZDWPNPOOXZSIGH-FMCGGJTJSA-N 431.919 5.925 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccccc1Cl)C3=O)CN(CCOc1ccccc1)CO2 1871352559 PUNJVAHGQXDCMB-UCQKPKSFSA-N 447.918 5.496 30 10 IKEE O=C1/C(=C/c2ccccc2F)Oc2c1ccc1c2CN(CCCCc2ccccc2)CO1 1871354423 PYDHBGYUUHBNIN-XYGWBWBKSA-N 429.491 5.617 30 10 IKEE Cc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3cc(C)ccc3C)C4)C2=O)cc1 1871355800 WMFPBIBNQMIHMC-ROTLSHHCSA-N 425.528 5.889 30 10 IKEE C=CCOc1cccc(C(=O)Nc2ccc3c(=O)cc(-c4ccccc4OCC)oc3c2)c1 1871358848 UHSFBUBUNFJVOS-UHFFFAOYSA-N 441.483 5.676 30 10 IKEE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1OC 1871366387 BZBBJHNQMXLMDQ-KIKGYRQASA-N 446.430 5.078 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4cccs4)cc(C)c3C2=O)cc1OC 1871381515 YPDGKCHQTDGVOZ-KIMCNIAYSA-N 448.496 5.309 30 10 IKEE C=CCN(CC=C)c1nc(=NCCCCc2ccccc2)nc(Nc2ccc(CC)cc2)[nH]1 1871584356 LEZXXNXJLFXJFP-UHFFFAOYSA-N 442.611 5.213 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1)S(=O)(=O)c1ccccc1 1872561922 HKEFUCQOGBLUCJ-RUZDIDTESA-N 448.588 5.250 30 10 IKEE COc1ccc(Br)cc1-c1nc2ccc(C(=O)Nc3ccccc3C#N)cc2[nH]1 1872735332 OWGASUZPNMNFAX-UHFFFAOYSA-N 447.292 5.125 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccc(C)cc3)n2)cc1OC 1872761420 MXQUPNVPVYFQNI-LJQANCHMSA-N 436.533 5.171 30 10 IKEE N#C[C@@H](C(=O)/C=C/c1ccc(Cl)c(Cl)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872763788 VDFTXGICLVDFKA-FTPZRKARSA-N 444.299 5.915 30 10 IKEE N#C[C@H](C(=O)c1ccccc1C(=O)c1ccccc1)c1nc(-c2cccc(Cl)c2)cs1 1872767397 ZCBLPKIBRWKRAS-OAQYLSRUSA-N 442.927 6.185 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)c3cc(Cl)ccc3OC)n2)cc1C 1872787560 MJEWLMHVSLECMR-KRWDZBQOSA-N 426.925 5.588 30 10 IKEE N#C[C@@H](C(=O)c1ccc(-c2ccccc2)cc1)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872788404 ZGHHFBLZKXBCPX-FQEVSTJZSA-N 449.362 7.274 30 10 IKEE COc1ccc(/C=N/Nc2nc(C)cc(C)n2)cc1OCc1ccc(Cl)cc1Cl 1873497122 JVKPEYYRCNJUES-BHGWPJFGSA-N 431.323 5.434 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(C(C)(C)C)cc1)n2CC 1873620157 WRXFWOMFNQKLNL-UHFFFAOYSA-N 449.643 6.773 30 10 IKEE CCCSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1cccc(Cl)c1 1874226437 KQGMOOWDJRNMLL-PCLIKHOPSA-N 443.016 5.944 30 10 IKEE C=CCSc1nnc(COc2ccc(OCC)cc2)n1/N=C/c1ccc(C(C)C)cc1 1874236499 LZOXPEFNMJZEBC-PCLIKHOPSA-N 436.581 5.540 30 10 IKEE Cc1cccc(OCCCc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccc[nH]2)c1 1874246772 WQPJHVUFPNBRMJ-JVWAILMASA-N 449.555 5.240 30 10 IKEE C=C(C)CSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874288273 WOKXFYIZIVWJHN-BUVRLJJBSA-N 441.601 6.201 30 10 IKEE CCOc1cccc(/C=N/n2c(Cc3cccs3)nnc2SCc2ccccc2C)c1 1874410830 NPTMUCKOKACHBB-PCLIKHOPSA-N 448.617 5.812 30 10 IKEE Fc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCc2cccc(F)c2)cc1 1874411604 CLGPJLNTZDFODT-ZMOGYAJESA-N 426.517 5.383 30 10 IKEE CN(C)c1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCCc2ccccc2)cc1 1874418188 DCWSGXBIIUZSKP-NHFJDJAPSA-N 441.604 5.152 30 10 IKEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3C)nnc2-c2ccccc2)cc1 1874427258 YZQPMZMXOUNNDJ-WGOQTCKBSA-N 441.560 5.175 30 10 IKEE O=[N+]([O-])c1ccccc1/C=N/n1c(SCc2cccc(Cl)c2)nnc1-c1ccccc1 1874430650 RVDVDBFFRGJLSS-ZVHZXABRSA-N 449.923 5.681 30 10 IKEE Oc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2[C@@H]2CCCO2)c1 1874450657 HNELHYBVIXYKJD-RIDKEVFESA-N 449.363 5.317 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2C2CCCC2)c(OC)c1 1874453016 ZPXPESGKUJKBNC-MFKUBSTISA-N 436.581 5.436 30 10 IKEE CCc1ccc(C(=O)/C=C/c2c(OCC(=O)NCc3ccco3)ccc3ccccc23)cc1 1874572939 NAEVJHFLTZAIEA-CCEZHUSRSA-N 439.511 5.587 30 10 IKEE Cc1cccc(COc2ccc(Br)cc2/C=C/C(=O)c2ccc(C(C)C)cc2)c1 1874583246 DGYXLHIUJCFENR-ACCUITESSA-N 449.388 7.356 30 10 IKEE CCc1ccccc1NC(=O)COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC 1874595482 NEXUVUFFCCRFFH-ACCUITESSA-N 449.934 5.825 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OCC(=O)N[C@@H](C)c3ccccc3)c2)cc1 1874595885 HYBILAKKMBGPFY-RKCQOLGWSA-N 443.543 5.628 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccccc1F 1874610339 NJYGGESNSNGKDG-NTEUORMPSA-N 447.462 5.946 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)cc1 1874613595 CNOJFJUGMBCIDR-MKMNVTDBSA-N 449.934 5.961 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1 1874616886 YGGYWBIXOKAWFT-NTEUORMPSA-N 436.935 6.613 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OCc1c(F)cccc1Cl 1874625346 YTUDAIIOPTWKNM-IZZDOVSWSA-N 444.861 6.111 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)[C@H](C)c3ccccc3)c2)cc1C 1874696351 UVDPXOOSIASQAS-YFPIXMDGSA-N 430.500 5.617 30 10 IKEE COc1ccc(CCC(=O)Oc2cc(/C=C/C(=O)c3ccc(C)cc3C)ccc2OC)cc1 1874701103 BFGZSCWGQAPYEL-RIYZIHGNSA-N 444.527 5.755 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3cc(C)ccc3OC)ccc2OC)cc1 1874704089 WLQFNTOPUWHKJR-NTUHNPAUSA-N 446.499 5.526 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OC(=O)Cc1ccc(C)cc1 1874708143 OJOGHJIMAHCRIX-OQLLNIDSSA-N 428.528 6.171 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1OC(=O)Cc1ccccc1F 1874711148 RFUCFTTYNGUMEK-PKNBQFBNSA-N 448.490 5.504 30 10 IKEE C=CCN(CC=C)CCC(=O)c1cccc(OC(=O)CCCOc2c(C)cccc2C)c1 1874734356 VRGQWONSDSNRCA-UHFFFAOYSA-N 435.564 5.315 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)C3CCCC3)c(OC)c2)cc1 1875105653 GDWWXWDZVUDDAX-NTCAYCPXSA-N 440.967 6.683 30 10 IKEE C[C@H](C(=O)Oc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1)c1ccccc1 1875108753 DUUPPQQGGZOTBV-NDCSFFLDSA-N 435.317 6.054 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)Cc1cccs1 1875111871 RNVPELDISAFZHD-CMDGGOBGSA-N 447.339 6.108 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3Cl)c(Cl)c2)cc1 1875114639 ZLMOKBDPVPRXQH-WUXMJOGZSA-N 441.310 6.046 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(Br)c1OC(=O)CC 1875115274 VQGYYNOZTSXTEN-IZZDOVSWSA-N 433.298 5.068 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc(Cl)c2)c(Cl)c1)c1cccc(Cl)c1 1875121600 XTWFRUXTUZXMEF-VQHVLOKHSA-N 431.702 6.762 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)C3CC3)c(Cl)c2)cc1OCCC 1875123713 AFKWRACWPPTSBS-BJMVGYQFSA-N 442.939 6.129 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)c1ccc2c(c1)OCO2 1875133714 ILHBNLCAAAVVEW-UXBLZVDNSA-N 444.483 5.546 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)c1ccc2c(c1)OCO2 1875139912 HQGABFCBTPAIRI-JXMROGBWSA-N 444.483 5.546 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3)c(Cl)c2)cc1 1875155892 UQYAGFGMROCWCE-OVCLIPMQSA-N 432.947 6.898 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1OC(=O)C(F)(F)F 1875165873 DPKPXCHGPNKQCI-VOTSOKGWSA-N 440.845 5.946 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)cc2Cl)c1 1875168672 PBPRRWWJNHONGQ-VQHVLOKHSA-N 446.974 7.306 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)cc1OC 1875186136 GCIYNVFOLBBGSU-FMIVXFBMSA-N 430.928 6.129 30 10 IKEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)Nc2cc(Cl)ccc2Cl)CC1 1890314427 NUKFZXJADGFNFE-UHFFFAOYSA-N 447.347 5.437 30 10 IKEE Cc1ccc2c(C(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)cc3c(C)cccc3c2c1 1891431829 YACPLNWFEMZYCX-UHFFFAOYSA-N 434.539 6.165 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCC2(CCCCC2)C1 1915886740 VIFDSAZVYWDXSF-QFIPXVFZSA-N 433.390 6.587 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CC(C#N)(N(C(=O)OC(C)(C)C)C1CCCC1)C2 1922292523 DNMMKFNJOVQYGS-OALUTQOASA-N 433.593 5.380 30 10 IKEE CC[C@@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)CN1C(=O)OC(C)(C)C 1996579951 QMMQONSMKFAZAB-HOYKHHGWSA-N 429.561 5.500 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@H]1[C@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C)NCCC 2007959577 XFMQEFZXAYMPMV-XQUALCHDSA-N 428.617 5.306 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1ccc(N(C)C(=O)OC(C)(C)C)nc1 2014236511 ZODPIMOUKHHTFX-QHCPKHFHSA-N 425.573 5.267 30 10 IKEE N#Cc1ccc(C=C2CC3(CC(=Cc4ccc(C#N)cc4)C2=O)C(=O)Nc2ccccc23)cc1 2040817704 YTEJROWLENHHFL-UHFFFAOYSA-N 441.490 5.150 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCC[C@H]1OCc1ccccc1 2043761022 FHZYIGPBXJOBKS-ZEQKJWHPSA-N 436.552 5.858 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)c1 2077947426 HDPJAEUMBRQGMF-WOJBJXKFSA-N 443.588 5.664 30 10 IKEE Fc1cc(-c2c(C(F)(F)F)nn(C(F)F)c2Br)cc(C(F)(F)F)c1 2080851679 PJTAZFZASOWLIL-UHFFFAOYSA-N 427.064 5.884 30 10 IKEE C=CCCCCCC[C@@H](NCCC)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2085848260 XYXLCXSLSZXSOX-RPBOFIJWSA-N 445.692 5.907 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(Cc3ccccc3)C3(CC3)C2)c1 2104008913 CRRMBMIOURUVJZ-HHHXNRCGSA-N 447.579 5.528 30 10 IKEE Cc1cc(F)c([C@H](C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)c(Br)c1 2116787604 ZTMTZNFPYYWEBU-AWEZNQCLSA-N 426.290 5.399 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)C(C)(C)C1CCCCC1 2151424068 BZEWCWQHJHQSRU-LJQANCHMSA-N 435.406 6.689 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H](Nc2cc(Br)cc(F)c2C#N)C1 2163690632 WRLDRJKQZJKVIG-QGZVFWFLSA-N 438.341 5.051 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCC(F)(F)CC1(C)C 2165013921 GOFSCZYFIMFSET-IBGZPJMESA-N 443.332 6.298 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](Cc2ccc(F)cc2Br)NCCC)C1 2197755512 IXTSUQXIVMILJP-GOSISDBHSA-N 441.385 5.112 30 10 IKEE CCCC#C[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCCC 2218387408 CLSNGDMVWUUQMY-XMMPIXPASA-N 441.660 5.108 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC 2235720435 PITCJIJAZROPBH-VDGAXYAQSA-N 437.422 5.108 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)C(C)(C)C(C)(C)NC(=O)OC(C)(C)C 2235730712 WDOSBJHDCQPNMW-SFHVURJKSA-N 437.422 5.108 30 10 IKEE CN[C@H](C#Cc1ccccc1Br)[C@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C 2235732153 RPEYRQYURZGIFL-MOPGFXCFSA-N 437.422 5.060 30 10 IKEE CC(C)[C@@H](CCNC(=O)OC(C)(C)C)CC[C@@H](N)C#Cc1ccccc1Br 2235746944 MBJQMMMMXLYCSM-IEBWSBKVSA-N 437.422 5.095 30 10 IKEE C=CCCCCCC[C@@H](N)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237424674 XMRQZJRHNKCRED-UXHICEINSA-N 439.438 5.739 30 10 IKEE CCN[C@@H](CC=CC#CC(C)(C)C)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256732808 HBLSWFLVMCRASM-ZEQRLZLVSA-N 442.644 5.461 30 10 IKEE C#CC[C@@H](OCCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2262048075 DBIQKKCDSREDKG-XMMPIXPASA-N 430.500 5.400 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)c1scc(Br)c1Cl 2279182285 ZABNXVBXZIHIEH-CYBMUJFWSA-N 433.596 5.629 30 10 IKEE C=CCCCC[C@H](OCCC(=O)O)c1cc(Br)c(Br)s1 2291472874 GDBCONWOFHRQCK-NSHDSACASA-N 426.170 5.552 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)CC[C@@H](C)CNC(=O)OC(C)(C)C 2296286522 MERUOERIJMOVGI-YLJYHZDGSA-N 437.422 5.110 30 10 IKEE Cc1cc(N2C(=O)C(=O)C(=C(O)c3ccc(F)cc3)[C@@H]2c2ccc(Cl)c(Cl)c2)no1 2296550425 SRBWSVMELFJEJV-SFHVURJKSA-N 447.249 5.055 30 10 IKEE CCOc1cc(C=C2C(=O)ON=C2c2ccccc2)ccc1OC(=O)c1ccccc1Cl 2297484321 UZWZLUFZZFXZOG-UHFFFAOYSA-N 447.874 5.302 30 10 IKEE O=C1C(=O)N(c2ccccc2)[C@H](c2ccc(Br)cc2)C1=C(O)c1ccccc1 2297745629 SRZSCRJSEZOMRE-HXUWFJFHSA-N 434.289 5.075 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@H](C#N)[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C 2299165541 YNHLTHVYXFNLBL-MSOLQXFVSA-N 433.524 5.105 30 10 IKEE Cc1occc1C(=O)Nc1cccc(C(=O)C=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 2314523085 IRJIOBAKBIQGTL-UHFFFAOYSA-N 442.427 5.905 30 10 IKEE N[C@H](C#CC1CCC1)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2315708561 UYTZUXKGODWYJW-LEAFIULHSA-N 427.544 5.009 30 10 IKEE N#Cc1ccc(Oc2cc(Br)cc(Br)c2)c(Br)c1 2316722457 YKYWLZQTHTYVID-UHFFFAOYSA-N 431.909 5.638 30 10 IKEE CC(C)(C)OC(=O)Nc1ccccc1Oc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2317251165 FFBJNXOSIINZST-UHFFFAOYSA-N 446.740 5.174 30 10 IKEE Cc1scc(C(=O)N(Cc2ccccc2)[C@@H](C)C(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2320437129 GCTIMTLCOJQCTA-SFHVURJKSA-N 441.446 5.433 30 10 IKEE Cc1ccc(COc2ccc(C=Nn3cnnc3SCc3cccc(C)c3)cc2)cc1 2321248645 DXJNFKHBYURIOU-UHFFFAOYSA-N 428.561 5.648 30 10 IKEE Cc1ccc(Cc2nnc(S)n2N=Cc2cccc(OCc3ccc(F)cc3)c2)cc1 2321968275 FAZOKICJUDXPOZ-UHFFFAOYSA-N 432.524 5.066 30 10 IKEE COc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2cccc(Cl)c2)C4)cc1 2322211770 ZLRCPNKEHPAAIS-UHFFFAOYSA-N 447.918 5.625 30 10 IKEE COc1ccccc1C=C1Oc2c(cc3c(c2C)OCN(CCc2ccccc2)C3)C1=O 2322286989 YMGIESBWRBUQRL-UHFFFAOYSA-N 427.500 5.014 30 10 IKEE O=C(C=Cc1c(OCc2cccc(F)c2)ccc2ccccc12)c1ccc([N+](=O)[O-])cc1 2322474574 DSLSOVRRQCKZPV-UHFFFAOYSA-N 427.431 6.362 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCCc3ccccc3)ccc3ccccc23)c(OC)c1 2322904227 JEZRGCIOTBTGIH-UHFFFAOYSA-N 438.523 6.375 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 2323177443 ROSGSXOXXVJCCB-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE COC(=O)c1ccc(COc2cc(C=CC(=O)c3ccc(C(C)C)cc3)ccc2OC)o1 2323203656 RFUOOXSJJVNQHS-UHFFFAOYSA-N 434.488 5.673 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc3C2=O)cc1 2323231348 NCVACLADWPPNLX-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(C)cc1 2323369824 SGWUUCNMQSJAKC-UHFFFAOYSA-N 437.879 6.040 30 10 IKEE O=C(Cc1ccccc1[N+](=O)[O-])Oc1ccc2c(c1)OC(=Cc1ccccc1Cl)C2=O 2323379570 PHRKCYWZFUWEGT-UHFFFAOYSA-N 435.819 5.013 30 10 IKEE Cc1ccccc1COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1[N+](=O)[O-] 2323423650 RMVPLYYCDQUYDF-UHFFFAOYSA-N 427.500 6.257 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1 2323701696 KEJJHHVQRGKJTR-UHFFFAOYSA-N 439.870 5.401 30 10 IKEE COc1cc(C=NNc2nc(-c3ccc(C)c(C)c3)cs2)cc([N+](=O)[O-])c1OC(C)C 2323852531 AYYCARYRYBOOFG-UHFFFAOYSA-N 440.525 5.577 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(Cl)c(OCc2ccc(C)cc2)c(OC)c1 2323987212 ASQUIYRBVGHEKS-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE CCCCN(CC)Cc1c(O)cc(C)c2c1OC(=Cc1ccc(Cl)cc1Cl)C2=O 2324123943 ONJSHNFUXPBWDU-UHFFFAOYSA-N 434.363 6.246 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2Cl)c1 2324161778 TWNLTTPYJKIVFQ-UHFFFAOYSA-N 447.962 6.685 30 10 IKEE C=CCOc1c(Cl)cc(C=CC(=O)c2ccc(OCCCCCCC)cc2)cc1OC 2324197336 QSYAOTKIBRIELM-UHFFFAOYSA-N 442.983 7.159 30 10 IKEE Cc1c(O[C@H](C)C(=O)OC(C)C)ccc2c1OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2324305393 RHWUBIUZNBDXIK-LJQANCHMSA-N 442.511 5.997 30 10 IKEE C=CCOc1c(Br)cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1OCC 2324356092 BASUBKVLWOBJQC-UHFFFAOYSA-N 443.381 6.542 30 10 IKEE COc1ccccc1C=C1Oc2cc(OCCCOc3ccc(C)cc3)cc(C)c2C1=O 2324545445 LTGMRMBYKYGIDL-UHFFFAOYSA-N 430.500 5.776 30 10 IKEE Cn1cc(C=C2Oc3cc(OCCCCOc4ccccc4)ccc3C2=O)c2ccccc21 2324582598 RHOGCBHSVBQQQF-UHFFFAOYSA-N 439.511 6.033 30 10 IKEE CC(C)c1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 2324610005 TWSFFUTVDHLFNU-QHCPKHFHSA-N 428.601 7.121 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CCc2ccccc2Cl)nnc1SCCC 2325424630 JFHRGHZSZXFRLB-UHFFFAOYSA-N 441.000 5.666 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(Cl)cc2F)ccc2c1OC(=Cc1ccco1)C2=O 2325490383 IMVDMBXDBPUYLY-UHFFFAOYSA-N 427.815 5.014 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1N=Cc1c(Cl)cccc1Cl 2325512721 HYJRTFFODMZRAG-UHFFFAOYSA-N 433.408 6.410 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccccc3F)c2)cc1 2325733378 FROPSEWTIAMGSJ-UHFFFAOYSA-N 434.463 5.277 30 10 IKEE CCN(CC)C(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2325743394 CTJFCKNEVUPZDS-UHFFFAOYSA-N 441.527 5.525 30 10 IKEE COc1ccc(C=Nn2c(C)nnc2SCc2ccc(Cl)cc2)cc1OC(C)C 2326350460 JYOFWTODFRXDMJ-UHFFFAOYSA-N 430.961 5.210 30 10 IKEE CCCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(OC)c(OC(C)C)c1 2326733808 NHZWRVBWUZYXGC-UHFFFAOYSA-N 442.560 5.340 30 10 IKEE CCCOc1ccc(C=Nn2c(COc3cc(F)ccc3F)nnc2SCCC)cc1 2327498374 PSRPSRIGYIPDBR-UHFFFAOYSA-N 446.523 5.308 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CCc2ccccc2Cl)nnc1SCC=C 2327976856 RURJXYCDVYGATF-UHFFFAOYSA-N 438.984 5.442 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc(N(C)C)cc1 2328056624 DHGYIOFRUPJRHP-UHFFFAOYSA-N 440.016 5.333 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccc[nH]2)cc1C 2328939691 FPECQQIHSQRWKO-UHFFFAOYSA-N 433.556 5.322 30 10 IKEE Cc1ccsc1C=Nn1c(COc2ccccc2)nnc1SCc1ccc(F)cc1 2329883841 JNWOSNLUYKGROX-UHFFFAOYSA-N 438.553 5.541 30 10 IKEE Cc1ccc(Cc2nnc(SCc3c(F)cccc3Cl)n2N=Cc2ccco2)cc1 2330045544 JJMYYXVWFLVGTB-UHFFFAOYSA-N 440.931 5.737 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2ccccc2C)nnc1[C@@H](C)c1ccccc1 2330057167 PIHLQPQVOOGZBI-NRFANRHFSA-N 426.589 6.221 30 10 IKEE CCCSc1nnc([C@H](C)c2ccccc2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2330122178 YGQPJSBRFPYOCS-CQSZACIVSA-N 429.933 5.376 30 10 IKEE Clc1cccc(CSc2nnc(-c3cccs3)n2N=Cc2c[nH]c3ccccc23)c1 2330603977 ZFEUXIJNHUSFGX-UHFFFAOYSA-N 449.992 6.316 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)cc([N+](=O)[O-])c1OC(=O)CC(C)(C)C 2330761754 KSHIWOKSJINVST-UHFFFAOYSA-N 439.508 5.794 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1[N+](=O)[O-])c1ccccc1F 2330934036 PDKJPAODFTUQKQ-UHFFFAOYSA-N 425.799 5.503 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3ccc(C=CC(=O)c4ccc(F)cc4F)cc3)c(C)c2c1 2331084409 SGTRXDYGJXMEKE-UHFFFAOYSA-N 431.438 6.178 30 10 IKEE CCCCC(=O)Oc1c(OCC)cc(C=CC(=O)c2ccc(F)cc2F)cc1[N+](=O)[O-] 2331100480 NWIXZQSRLWPWHW-UHFFFAOYSA-N 433.407 5.263 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3cccc(Cl)c3)cc2)cc1 2331116046 CACSRTIANLKLCX-UHFFFAOYSA-N 448.946 6.563 30 10 IKEE Cn1cc(C=Nn2c(SCc3ccc(F)cc3)nnc2-c2ccco2)c2ccccc21 2331175716 IEAAUARGOPJBDF-UHFFFAOYSA-N 431.496 5.343 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1OC 2331238808 YQLJPTAVKWIKTF-UHFFFAOYSA-N 427.711 6.257 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1ccc(F)cc1 2331286506 BOIYAHUIJNUGNO-UHFFFAOYSA-N 430.475 5.987 30 10 IKEE C=C(C)CSc1nnc(CCCC)n1N=Cc1ccc(N(CC)Cc2ccccc2)cc1 2331336945 MAEMMQHGDHFPBE-UHFFFAOYSA-N 447.652 6.198 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)c(Cl)c1)c1ccc(F)cc1 2331522984 SEHRXYAALQGZNA-UHFFFAOYSA-N 425.799 5.503 30 10 IKEE O=C(O)c1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CCC2)cc1 2331535479 LETLXGREJPBNEA-UHFFFAOYSA-N 442.544 5.572 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CC)c(Br)c2)c(OCC)c1 2331734385 WYBYKDJZQFBNPE-UHFFFAOYSA-N 447.325 5.458 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1ccccc1OC 2331779716 JLZNDKGLIWQVQI-UHFFFAOYSA-N 444.527 6.134 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)CC1CCCCC1 2331801455 YSJXASDVERPXFY-UHFFFAOYSA-N 448.603 7.073 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)cc(OC)c1OC(=O)C(C)(C)C 2331865873 FXCPPGGXMRUZKL-UHFFFAOYSA-N 448.515 5.713 30 10 IKEE CCCC(=O)Oc1c(OCC)cc(C=CC(=O)c2cc(Cl)ccc2OC)cc1[N+](=O)[O-] 2331877468 PPHFVXPMWOEDON-UHFFFAOYSA-N 447.871 5.257 30 10 IKEE CC[C@H](CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2333108751 ICFXJOAKQGDRCT-OHGARUQASA-N 428.701 7.204 30 10 IKEE CC1(C)OB(C=Cc2ccc(N(Cc3ccccc3)CC3CCCCC3)nc2)OC1(C)C 2339575010 QKLKMRGSMKIOCO-UHFFFAOYSA-N 432.417 6.313 30 10 IKEE Cc1scc(C(=O)Nc2cccc(OCc3ccccc3)c2)c1B1OC(C)(C)C(C)(C)O1 2343510874 JKTMHEUJMXLMCQ-UHFFFAOYSA-N 449.381 5.187 30 10 IKEE CCCCCCCC[C@@H](O)Cc1ccc(I)c(Br)c1 2349847713 MAZFBZZQRCWYCR-CQSZACIVSA-N 439.175 5.708 30 10 IKEE N#Cc1ccc(Br)cc1OCc1cc(I)ccc1Cl 2352397043 SXQWCQJQQQTDDU-UHFFFAOYSA-N 448.485 5.158 30 10 IKEE O=C(NC1CCC1)ON(Cc1cccc(C(F)(F)F)c1)Cc1cccc(C(F)(F)F)c1 8616520 RDURQVXEFIAGRI-UHFFFAOYSA-N 446.391 5.920 30 10 IKEE COc1cc(/C=N/n2c(S)nnc2C2CCCCC2)ccc1OCc1ccc(C)cc1 8921020 RKVABINUFVOMKU-MFKUBSTISA-N 436.581 5.393 30 10 IKEE C=CCn1c(SCC(=O)N[C@@H](c2ccccc2)C(C)C)nnc1-c1ccc(Cl)cc1 10240467 LEKDARIUXIFNDR-OAQYLSRUSA-N 441.000 5.390 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(C(C)C)cc1)N2 20697957 CQBVXCZRZFFYER-FKCDAAJZSA-N 448.632 5.999 30 10 IKEE Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)cc1[N+](=O)[O-] 20886030 DQNICUMVRAYJCK-QYBDOPJKSA-N 443.478 6.022 30 10 IKEE O=C1C[C@@H](c2ccco2)CC2=C1C(c1ccccc1)C1=C(C[C@@H](c3ccco3)CC1=O)N2 22469352 WYYCOWWTNRYIAQ-OXUKXLDXSA-N 425.484 5.361 30 10 IKEE COc1ccc(/C(C)=C2\S/C(=N/c3nc(C)cs3)N(C3CCCCC3)C2=O)cc1 39865644 NBOPTGSISIEGSQ-HVYSLKEZSA-N 427.595 5.787 30 10 IKEE C=CCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCC)c1 40076833 HZTXVSNWAXLOHD-NRFANRHFSA-N 425.912 5.283 30 10 IKEE CCOc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2cccs2)C4)cc1 41646287 MFBIUARBSONPPB-UUYOSTAYSA-N 433.529 5.424 30 10 IKEE COC(=O)c1ccc(-c2ccc(/C=C3\S/C(=N/c4ccc(F)cc4)NC3=O)o2)c(C)c1 59105995 MUHUQPFSPMHKBP-NDENLUEZSA-N 436.464 5.072 30 10 IKEE COC(=O)/C(=N/Nc1ccccc1C)Sc1ncc(-c2ccccc2)n1-c1ccccc1 59121460 RITFHMQVWOATAM-NFFVHWSESA-N 442.544 5.538 30 10 IKEE CCCCCCCCCCn1c([C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)nc2ccccc21 102207101 QZMUULQDCUJBMF-XMMPIXPASA-N 445.651 7.314 30 10 IKEE O=C1C(Nc2ccccc2)=C/C(=N\S(=O)(=O)c2ccc3ccccc3c2)c2ccccc21 103721045 CTANWUOLWWTIQN-ZZIIXHQDSA-N 438.508 5.210 30 10 IKEE O=C(CSc1cccc2cccc(Cl)c12)N1CCS/C1=N/Cc1ccccc1 105094281 BSIQLIKULRYPPQ-ZNTNEXAZSA-N 426.994 5.717 30 10 IKEE COc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(C(C)(C)C)cc1 169879213 ULCXZBXWLNUKLP-WGOQTCKBSA-N 433.508 5.926 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccc(F)cc2)c1 169929464 XYFDQDBAJUEQSH-JOCHJYFZSA-N 435.426 5.065 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2cc(C)ccc2C)=C(O)C(=O)N1c1ccc(C)c(C)c1 169943158 VEBBPHXQGHFOQT-VWLOTQADSA-N 441.527 5.712 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2cccs2)c1 169981696 AVRDTOQOHLHUEM-JOCHJYFZSA-N 449.528 5.247 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccccc2)cc1C 170049027 QNQGBUYMOUNRGC-RUZDIDTESA-N 441.527 5.910 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)[C@H]2c2ccccc2)cc1 170053660 CGKUZDJIKSQOJX-VWLOTQADSA-N 441.527 5.819 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2c[nH]c3ccccc23)c1 170074410 TXOMZPCGDDJFNU-HSZRJFAPSA-N 442.902 5.913 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1c[nH]c2ccccc12 170075555 GZJNATWIGZIZII-VWLOTQADSA-N 448.478 6.005 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1ccc(Cl)cc1 170106626 BGTLYRXKPNADJW-SFHVURJKSA-N 444.339 6.146 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1C1CCCCC1 170123619 GKCPOISYPHDXDW-QHCPKHFHSA-N 430.504 5.088 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(O)cc2)ccc1OCC(C)C 170138510 OESKWTSCTUWJGX-XMMPIXPASA-N 449.547 5.256 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccs2)cc1Cl 170159178 QKSDDFAEWZYUTD-IBGZPJMESA-N 425.893 5.193 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccs2)ccc1OCC(C)C 170166707 NSVZFBNAEAIHQK-QFIPXVFZSA-N 439.577 5.612 30 10 IKEE NC1=C(c2nc(-c3ccc(F)cc3)cs2)C(=O)CN1c1ccc(Nc2ccccc2)cc1 170179676 HLLFIQNAIWKIML-UHFFFAOYSA-N 442.519 5.409 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@@H]1c1cccc(OCC)c1 170217777 UKFQHWYFNCNQPM-NRFANRHFSA-N 443.927 5.126 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccccc2)c(C)c1 170228218 NVUKAVITCCEMCF-AREMUKBSSA-N 433.507 6.240 30 10 IKEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@@H]1c1ccccc1)c1ccc2ccccc2c1 170234712 ZKLOMYZTBHGZOV-XMMPIXPASA-N 445.478 5.499 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2F)c1 170249315 REOSDGRHJRJDCJ-QHCPKHFHSA-N 431.463 5.316 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)[C@H]2c2ccco2)c1 170282796 XECDIDMQKZAAEJ-JOCHJYFZSA-N 447.874 6.079 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1ccco1)c1ccc2c(c1)CCCC2 170290792 SEEHNCVOZIPXGN-QFIPXVFZSA-N 435.426 5.220 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(C)o2)cc1 170298098 ULXWRIXCKLTPDK-NRFANRHFSA-N 437.517 5.217 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2cccc(C)c2C)o1 170302583 SRZQRZJPPGGESV-FYSMJZIKSA-N 443.499 5.311 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(C)o2)cc1C 170302918 DJWHXXZCWNBWMS-QHCPKHFHSA-N 431.488 5.468 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccc(C)o2)cc1C 170305000 BCGNPORBCAZFCE-DEOSSOPVSA-N 445.515 5.613 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2sccc2C)c1 170315106 XRHZMDPVZRWHJN-JOCHJYFZSA-N 447.556 5.937 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C(C)C)cc2)cc1 170360204 LJINWROUQWXJGR-RUZDIDTESA-N 441.527 5.992 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1cccc(Oc2ccccc2)c1 170456865 TVSGBCQROXLKCO-VWLOTQADSA-N 442.515 5.385 30 10 IKEE CCCCCCCCCOc1ccc(C[C@H]2CN(C)CC[C@H]2O)cc1Br 243955182 RZDLPJFTLAAQOM-PZJWPPBQSA-N 426.439 5.434 30 10 IKEE CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2CC)cc1 252611310 IIVXHNFOHNOQFN-SFHVURJKSA-N 449.498 5.248 30 10 IKEE CC(C)Oc1ccc(-c2nc(NN=Cc3cccc([N+](=O)[O-])c3)c3ccccc3n2)cc1 254440590 HFXLDSVOLUUBDU-UHFFFAOYSA-N 427.464 5.438 30 10 IKEE NC(=S)NN=CC1=C(c2ccccc2)S[C@@H](c2ccccc2)C(Cc2ccccc2)=C1 254494968 SHIMQAFXPKRXRL-DEOSSOPVSA-N 441.625 5.874 30 10 IKEE CCCCOC(=O)c1ccc(N=Cc2cc(Cc3ccccc3)cc([N+](=O)[O-])c2O)cc1 254615057 PCGROMWVFISURP-UHFFFAOYSA-N 432.476 5.599 30 10 IKEE N#Cc1ccc(Nc2cc(Br)ccc2I)c(Cl)c1 310685225 LSLSRAFTVWPONO-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)c(Cl)c3)[C@@H]2c2cccc(F)c2)cc1 526491657 XPGOIJRWYABPJI-NRFANRHFSA-N 439.273 6.061 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1 526519350 BNEYIZOZECRQEP-NRFANRHFSA-N 449.825 5.316 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccc(OC)c2)c1 526607367 VJXJECPZNONEKJ-DEOSSOPVSA-N 426.472 5.023 30 10 IKEE CCCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1c(Cl)cccc1Cl 526808385 HYJRTFFODMZRAG-CFRMEGHHSA-N 433.408 6.410 30 10 IKEE COc1cc(C)c(C)cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 586219145 ZCIVETYLVKMRML-UHFFFAOYSA-N 440.952 5.233 30 10 IKEE C#CCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586243427 MXYKTDFFAXEMCW-UHFFFAOYSA-N 446.355 5.401 30 10 IKEE Cc1ccc(C)c(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(OC(C)C)cc2)c1 586255011 XTITVVLYJFKSLL-UHFFFAOYSA-N 434.561 5.358 30 10 IKEE C#CCCCCC[C@@H](NCC)c1cc(I)ccc1Br 686689178 FWWHPCUDUSOSGJ-MRXNPFEDSA-N 434.159 5.288 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1c(F)cccc1Cl 698455082 ZPDITOILZBWZFK-MRXNPFEDSA-N 439.712 6.248 30 10 IKEE C[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 698834403 XPXLUKCVIQKUPA-QMHKHESXSA-N 449.979 5.763 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 699659811 MPJLBYZDXXGKTG-KBMIEXCESA-N 443.588 5.666 30 10 IKEE C=CCCCCC[C@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 705475176 JRMXGJNKEIPDHP-NHTMILBNSA-N 432.649 5.990 30 10 IKEE C=CCC1([C@H](Cc2cc(Br)ccc2C)NCC)CN(C(=O)OC(C)(C)C)C1 722918190 LGOHCIDDAUHIJW-IBGZPJMESA-N 437.422 5.091 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(F)(F)F)nc2O)cc1OCc1ccccc1 731565068 ZOZGQRGWJXMHCA-JXMROGBWSA-N 429.394 5.290 30 10 IKEE O=S(=O)(Oc1ccccc1C=NNc1nc(-c2ccccc2)cs1)c1ccccc1 1081093809 IDRRGLKPSDHCRX-UHFFFAOYSA-N 435.530 5.024 30 10 IKEE Cc1ccc(NC(=O)[C@@]23CC[C@@](C)(C(=NOC(=O)c4ccc([N+](=O)[O-])cc4)C2)C3(C)C)cc1 1772722728 QWAOVTYNYCUOJG-LOSJGSFVSA-N 449.507 5.271 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)SC1=Nc1cccc(C)n1 1772736444 KUWIWTSFVNHNOJ-QNPCYTEQSA-N 435.936 6.093 30 10 IKEE Cc1ccc(C)c(C(=O)C[C@H]2SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)c1 1772759999 KKCJTBOAUMLAEG-RUZDIDTESA-N 442.584 6.329 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=Nc1ccc(C(=O)O)c(O)c1 1772760916 HYWUIKBRSGVGEG-HWICUKGISA-N 449.315 5.187 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCSC)NC(=O)c1ccc(F)c(F)c1F 1861791209 VDUZLBFYQKEYFA-SFHVURJKSA-N 446.579 5.212 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOCC)[C@H]2c2ccc(C)cc2)cc1 1862389772 NHIYEDQMGCJCAL-DEOSSOPVSA-N 435.564 5.343 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(Br)cc1 1862438727 PMTNISAPAUSIKQ-QGZVFWFLSA-N 434.717 5.089 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(O)cc1 1862441716 BZLDUMBSJUGPKW-OYHNWAKOSA-N 433.891 5.385 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccccc1Cl)c1cccc(Cl)c1 1862446156 MCGVLAQWADLCPR-FQEVSTJZSA-N 439.298 5.167 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccccc2F)cc1 1862474974 ZWNBIVXDUKAQLN-HSZRJFAPSA-N 433.454 5.094 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2cccc(O)c2)ccc1F 1862507805 UOGOGLOJMSRGRH-WAIKUNEKSA-N 431.463 5.179 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc(N(CC)CC)cc2)cc1 1862537670 ALQNYMXUYBJANG-RUZDIDTESA-N 448.607 5.720 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccccc1Cl)c1ccc2c(c1)CCCC2 1862545631 FFCKDBSEIYUDLA-QHCPKHFHSA-N 447.918 5.590 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862546677 CJIQZIUKEMZEQD-QHCPKHFHSA-N 448.519 5.242 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccccc2F)cc1 1862615996 NYDICYDBUMPVPA-DEOSSOPVSA-N 443.518 5.902 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C(C)C)cc1 1862655961 SXGLHAUVYXEIBF-XMMPIXPASA-N 429.516 5.615 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccc2cc[nH]c2c1)c1ccc(F)cc1 1862677546 BWFSVVXYCDABRQ-HSZRJFAPSA-N 432.495 5.608 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(C(=O)OC)cc1 1862720260 ULEOPSHKAVTLBU-HSZRJFAPSA-N 443.499 5.005 30 10 IKEE CC(C)c1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(Cl)cc3)C2=O)cc1 1862797596 OFVCZUOQDYPAQN-UHFFFAOYSA-N 441.918 5.732 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCCCO)=C(c2cccc3ccccc23)C1=O 1863583927 TYCSCBWHFQSUMX-UHFFFAOYSA-N 436.596 5.032 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccccn2)=C(c2ccc(OC(C)C)cc2)C1=O 1863696048 BVDCKJWWNQIWRX-UHFFFAOYSA-N 449.595 5.099 30 10 IKEE CCCCCCCCN1C(=O)C(NCCc2cccs2)=C(c2ccccc2Cl)C1=O 1863778148 AXCIKBAGNKIGMU-UHFFFAOYSA-N 445.028 5.674 30 10 IKEE CCCCC1CCC(C(=O)Nc2c(C#N)nnn2Cc2c(Cl)cccc2Cl)CC1 1870112112 POCXMJQFPBTKNZ-UHFFFAOYSA-N 434.371 5.440 30 10 IKEE CCCCCCCOc1cn(CCC2=CCCCC2)c(CN2C[C@@H](C)C[C@H](C)C2)cc1=O 1870416879 UFGVXYHTEIUBAB-ZEQRLZLVSA-N 442.688 6.566 30 10 IKEE C=CCOc1cn(CCc2ccccc2)c(CNc2ccc(N(CC)CC)cc2)cc1=O 1870810259 UQAIPJVTNXHNGP-UHFFFAOYSA-N 431.580 5.114 30 10 IKEE C=CCOc1cn(CCCCCCCC)c(CNc2ccc(Cl)c([N+](=O)[O-])c2)cc1=O 1870811887 KFHGARDCTCIVLD-UHFFFAOYSA-N 447.963 5.947 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(C)cc2)c(CNc2ccccc2CC)cc1=O 1870839293 GMSHTPTWHVQDGT-UHFFFAOYSA-N 446.635 6.729 30 10 IKEE CCCCCCCCn1cc(OCC2CCCCC2)c(=O)cc1CNc1cccc(F)c1 1870912756 DJKMWPBLVDIFAH-UHFFFAOYSA-N 442.619 6.919 30 10 IKEE C=CCn1cc(OCc2c(F)cccc2Cl)c(=O)cc1CNc1cc(C)ccc1C 1871089264 CZPHNNQBOHCOAX-UHFFFAOYSA-N 426.919 5.635 30 10 IKEE CCCOc1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccnc2)C3=O)cc1 1871378342 HSPLNGNVXFLWNB-YPKHUIKCSA-N 441.483 5.414 30 10 IKEE Cc1cccc(N2CCN(Cc3c(O)ccc4c3O/C(=C\c3cccs3)C4=O)CC2)c1C 1871397715 KDLLBWBHRUVPOG-IWIPYMOSSA-N 446.572 5.009 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(O[C@H](C)C(=O)Nc4ccc(Cl)cc4)c3C)C2=O)o1 1871413775 BCLJIYXGABSMLE-OFNOZLENSA-N 437.879 5.572 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(Cl)cc2)[nH]c(N(CCC)CCC)n1 1871524064 PAHOCSAUCDZZJI-UHFFFAOYSA-N 433.044 6.089 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(N(C)C)cc2)[nH]c(N(CCC)CCC)n1 1871694416 ILWRNRBFGMTEQW-UHFFFAOYSA-N 441.668 5.502 30 10 IKEE C=CCN([C@@H](CC(C)C)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1 1872430421 NOYFZEYTIXSYKK-QFIPXVFZSA-N 449.016 5.187 30 10 IKEE N#C[C@H](C(=O)/C=C/c1ccccc1Cl)c1nc(-c2cccc(Br)c2)cs1 1872763455 MOLJQIAVKPHHAG-ROJDOSBLSA-N 443.753 6.116 30 10 IKEE CCOc1ccc(CCC(=O)[C@@H](C#N)c2nc(-c3ccccc3Cl)cs2)cc1OC 1872764704 VLSPIFAUIWWJKK-QGZVFWFLSA-N 440.952 5.680 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(C(C)(C)C)cc3)n2)c(OCC)c1 1872783486 ASAADQQKFWJBIQ-NRFANRHFSA-N 448.588 6.395 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)c2cc(Cl)ccc2Cl)n1 1872785242 JBRDCCIOOGTHLF-GOSISDBHSA-N 443.399 7.213 30 10 IKEE N#C[C@H](C(=O)c1ccccc1C(=O)c1ccccc1)c1nc(-c2ccc(Cl)s2)cs1 1872789453 JJBSPCQAKVNPPT-QGZVFWFLSA-N 448.956 6.246 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2F)C(=O)N([C@@H](CC)CCCCC)C1=O 1873030885 AVIJYWKOQGGGPJ-FQEVSTJZSA-N 430.608 6.215 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H](CC)CCCCC)=C(c2ccccc2Cl)C1=O 1873032168 WLEMVPYYVZBOFX-HXUWFJFHSA-N 447.063 6.729 30 10 IKEE CCCCCCCCN=c1nc2c(cnn2-c2ccccc2)c(Nc2ccc(F)cc2)[nH]1 1873478062 KAMBBFYDQLVMSY-UHFFFAOYSA-N 432.547 5.893 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(OCC)cc1)n2CCCC 1873657121 YVISGVZBGDFKHN-UHFFFAOYSA-N 433.556 5.061 30 10 IKEE N#Cc1cccc(NC(=O)COc2ccc3cc(-c4ccc(Cl)cc4)c(=O)oc3c2)c1 1873866648 BZLYNOQWJMEGGT-UHFFFAOYSA-N 430.847 5.003 30 10 IKEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3cc(Cl)ccc3Cl)c(=O)oc2c1 1873946225 ARAPQFMWOXIWGO-UHFFFAOYSA-N 446.330 5.934 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)c(=O)oc2c1 1873982450 KDBTXOHDZAUVAU-CBKZDSQWSA-N 449.591 5.320 30 10 IKEE C=CCOc1ccccc1OCc1nnc(SC)n1/N=C/c1cccc2ccccc12 1874228221 YNNXWZUSIXTDGN-PCLIKHOPSA-N 430.533 5.179 30 10 IKEE CCCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1cc(Cl)ccc1O 1874256240 QETCVPMMZVWXRQ-WYMPLXKRSA-N 444.988 5.526 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2C)n1/N=C/c1ccc(C(F)(F)F)cc1 1874362868 BICUCZDBEKPQPO-MZJWZYIUSA-N 444.526 5.941 30 10 IKEE CCN(CC)C(=O)CSc1nnc(CC(C)(C)C)n1/N=C/c1ccc(C(C)(C)C)cc1 1874435739 VBWKAADYGDUAOJ-PCLIKHOPSA-N 443.661 5.007 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2C(F)(F)F)cc1 1874459086 WCDBZDXZJHTPSC-VULFUBBASA-N 447.530 5.626 30 10 IKEE Fc1ccc(CSc2nnc(C(F)(F)F)n2/N=C/c2ccc(Cl)c(Cl)c2)cc1 1874459495 QFLRDGNCKYJDLT-KTZMUZOWSA-N 449.260 5.917 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2ccc(CC)cc2)n1/N=C/c1cccc(C)c1 1874478397 YGVPEUAEEVDJOL-PCLIKHOPSA-N 435.597 5.105 30 10 IKEE COc1cc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C(C)(C)C)ccc1O 1874486601 BAFMVJRNCCNQKZ-BHGWPJFGSA-N 448.951 5.257 30 10 IKEE C=CCSc1nnc(CC(C)C)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874490698 FWXGZSMBLXFAIQ-MFKUBSTISA-N 441.000 5.869 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2ccc(C(C)C)cc2)c1 1874516189 KQXAWTNBKFZHPI-VULFUBBASA-N 447.608 5.509 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(CC)nnc2SCc2cccc(Cl)c2)cc1 1874527799 GAKRPQMJNNORCX-PCLIKHOPSA-N 443.016 6.237 30 10 IKEE COc1cc(/C=N/n2c(S)nnc2CC(C)(C)C)ccc1OCc1cccc(Cl)c1 1874560306 QYUVCHJIHRHHJC-ZMOGYAJESA-N 444.988 5.279 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1OCc1cccc(Cl)c1 1874573319 HOIQXANOOYISKW-DHZHZOJOSA-N 447.745 7.131 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)NCc2ccco2)cc1 1874574023 QQTCSAQLQDHYPZ-FOCLMDBBSA-N 447.531 5.222 30 10 IKEE COc1cc(Br)cc(/C=C/C(=O)c2ccc(C)cc2)c1OCc1ccccc1 1874579877 MTONOBCTJRZCPQ-OUKQBFOZSA-N 437.333 6.241 30 10 IKEE CCN(CC)C(=O)COc1ccccc1/C=C/C(=O)c1cc(Cl)c(OC)c(Cl)c1 1874590695 RDSZFDRNWKSZBU-ZHACJKMWSA-N 436.335 5.145 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC)c2OCc2ccccc2Cl)cc1C 1874591390 HXPBJEJSBOOXJO-OUKQBFOZSA-N 436.935 6.449 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3cccc(C)c3C)c2)cc1 1874596652 WILSDBFVEGDOSN-LFIBNONCSA-N 429.516 5.616 30 10 IKEE CCN(CC)C(=O)COc1cccc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)c1 1874599429 MNTWSCUKSVFPNX-MDZDMXLPSA-N 436.335 5.145 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc(Cl)c2)c(Cl)c1)c1ccc2c(c1)CCCC2 1874603956 NOMZWGROAFNYQN-XYOKQWHBSA-N 437.366 7.347 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1C 1874608111 WXEOYRJOCKYJEB-IZZDOVSWSA-N 433.460 5.396 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCc1nc(O)c2ccccc2n1 1874616472 BWOZGHCRFIIHMR-GXDHUFHOSA-N 440.499 5.518 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2)c(C)c1 1874623004 HDEXDDFXORNUHL-LZYBPNLTSA-N 427.544 6.340 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)c(C)c1C 1874628254 TZQYNRQFBLXZLR-GXDHUFHOSA-N 429.516 5.534 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3c(C)cc(C)cc3C)cc2)c(C)c1 1874634249 SABBEIVPZQVTCS-UKTHLTGXSA-N 427.544 6.142 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)c(OCC)c1 1874634903 ZPQVTARTFYODEY-RVDMUPIBSA-N 432.516 5.968 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2ccc(OCC(=O)OCC(C)C)cc2)cc1Cl 1874636961 BGXIOLDROMEGIE-RMKNXTFCSA-N 437.319 5.476 30 10 IKEE CCCCCCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCCCC1 1874644889 PBMDVJXYNKZKKP-XMMPIXPASA-N 425.617 5.348 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2cc(Cl)ccc2Cl)c1)c1ccccc1Cl 1874696636 JVOIEWOURYUMGP-DHZHZOJOSA-N 431.702 6.762 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1OC(=O)CCc1ccccc1 1874704642 WBBWQNPTYVVPHL-JLHYYAGUSA-N 430.500 5.447 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC(=O)CC2CCCCC2)c1 1874709495 KHWPBGGYIKEYBN-FYWRMAATSA-N 434.576 6.765 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(C)cc3)c2)cc1Cl 1874716972 RYRFPUVSTXFDPL-IZZDOVSWSA-N 436.891 5.781 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)c1ccc(F)c(F)c1F 1875120108 BPNOHAUHYZBMLR-YRNVUSSQSA-N 442.389 5.236 30 10 IKEE O=C(COc1cc(F)ccc1F)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1 1875120442 UKHIXKVIDGJBIT-XCVCLJGOSA-N 430.353 5.124 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2)cc1[N+](=O)[O-] 1875123062 USOBNDPHKZIIPC-UUILKARUSA-N 437.835 5.372 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(N(C)C)cc1 1875127626 PFTNECWBCSLYDG-LNKIKWGQSA-N 435.907 5.530 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 1875129899 ZCEMBOUGIPLMJO-LHHJGKSTSA-N 441.310 6.507 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)CC1CCCCC1 1875166799 UADAVBPKOYENOS-JLHYYAGUSA-N 436.548 6.093 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)Oc3ccc(Cl)cc3)cc2)cc1C 1875175852 JYDJUYKMKSOGTR-QEXPOGAPSA-N 434.919 6.226 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc(Cl)ccc3Cl)cc2)cc1C 1875176053 UJPXXIUWXVIIRB-WUXMJOGZSA-N 425.311 6.726 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)C3CC3)c(Br)c2)cc1Cl 1875189045 VBUPXMQGNZPNIZ-FARCUNLSSA-N 435.701 5.323 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc1[N+](=O)[O-] 1875192361 HZWIQZXHLRRNAJ-JLHYYAGUSA-N 433.460 5.748 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)ccc1OC(=O)c1cccc(F)c1 1875193931 GSCJGZCVVOINFJ-RMKNXTFCSA-N 440.854 5.612 30 10 IKEE CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1880354557 VJBNFJCEWMTFBO-CJFMBICVSA-N 443.588 5.351 30 10 IKEE N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)c3ccc(-c4cccc(Cl)c4)cc3)C2)c1 1891419247 IYKWTRHQXZERHT-LJQANCHMSA-N 431.923 5.205 30 10 IKEE CC[C@H](NC(=O)OC(C)(C)C)[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1936065973 GVDNDQCEEGAOJG-JTSKRJEESA-N 437.968 5.667 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C1(C)C 1947971585 MDGYJFMRMYAZHH-QHCPKHFHSA-N 449.979 5.763 30 10 IKEE CC(C)(C)OC(=O)N1CC(C)(C)[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)C1 1996504094 HULLICJLCXOQSZ-HSZRJFAPSA-N 449.979 5.621 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)[C@@H]2CC[C@@H]21 2008459611 DIBXCBAQMGZBCP-YDIMBITNSA-N 427.545 5.110 30 10 IKEE CCC1CCC(C#N)(NC(=O)CCCN(Cc2ccccc2)C(=O)OC(C)(C)C)CC1 2010514818 FDDIEBRRJHVBRD-UHFFFAOYSA-N 427.589 5.183 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)C1(NC(=O)OC(C)(C)C)CC2(CCCC2)C1 2015794483 CCSZCWNWCBNLFJ-JOCHJYFZSA-N 428.617 5.355 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCCC[C@@H]2NC(=O)OC(C)(C)C)cc1 2031500750 YIDWBUQJGCBMEK-NBGIEHNGSA-N 443.588 5.856 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)c1 2032001617 WUUUHWJDQGECAW-WYEJZRMESA-N 443.588 5.664 30 10 IKEE CCCN[C@H](CC#CC1CCCCC1)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2034434573 AXKLADLJTCAVBP-JWQCQUIFSA-N 442.644 5.439 30 10 IKEE CN(C(=O)OC(C)(C)C)C1CCC(C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)CC1 2048954246 VMLTWZRDBFOYJE-UHFFFAOYSA-N 447.551 5.639 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@H]1C1CC1 2067980309 ORNWBOIYWXFVJL-CPJSRVTESA-N 441.572 5.418 30 10 IKEE C[C@H](c1ccc(C(F)(F)F)cc1)n1nc(C2CCC2)c(C#N)c1I 2079881569 WALMQZXNSWEBCT-SNVBAGLBSA-N 445.226 5.255 30 10 IKEE C[C@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)(F)F)c(C=NO)c1Br 2079972054 PNYPDYSKMWMCIB-ZCFIWIBFSA-N 448.136 5.240 30 10 IKEE N#Cc1c(C2CC2)nn(Cc2ccc(C(F)(F)F)c(Br)c2)c1Br 2080273393 FJTJACLUVZXTRH-UHFFFAOYSA-N 449.068 5.224 30 10 IKEE CCCC#CC[C@@H](N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2083448308 RTJZNUXXXSBIPX-NAKRPHOHSA-N 429.560 5.399 30 10 IKEE CC(C)[C@H](C)[C@@H](CNc1ccc(C#N)c(Br)c1F)NC(=O)OC(C)(C)C 2106006854 OXLLBYRCJNIUOH-SWLSCSKDSA-N 428.346 5.057 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCCCCCC1(F)F 2152783152 ZRYRYRCRJFEKFV-IBGZPJMESA-N 443.332 6.442 30 10 IKEE C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNc2cc(Br)cc(C#N)c2)cc1 2162316758 RKWRDRGBZAMXJY-AWEZNQCLSA-N 430.346 5.519 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCC[C@@H]2Nc2cccc(Br)c2C#N)CC1 2162397422 IMPWQYOODAQAJA-SFHVURJKSA-N 434.378 5.302 30 10 IKEE CN(C(=O)c1ccc(Br)cc1NC(=O)OC(C)(C)C)C1(C#N)CCCCC1 2181045345 GFIIALDDGJEWCF-UHFFFAOYSA-N 436.350 5.095 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](Nc2cc(Br)c(C#N)cc2F)[C@@H]1C(C)(C)C 2192489406 WMPMPIWUVCNCIV-DOTOQJQBSA-N 440.357 5.296 30 10 IKEE C=C(c1ccccc1)[C@@H](NCC)c1ccc(I)c(Br)c1 2197139783 MFOTWUYYENMOHK-QGZVFWFLSA-N 442.138 5.418 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(Nc2ccc(Br)cc2)C[C@@H]2CCCC[C@@H]21 2279701347 FHSXEDLDIKOEML-XERREHJYSA-N 434.378 5.323 30 10 IKEE CN[C@H](C#Cc1cccc(Br)c1)CCC[C@H](NC(=O)OC(C)(C)C)C(C)C 2296278542 FRMQKBFRWJHVTA-PMACEKPBSA-N 437.422 5.108 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@](C)(NC(=O)OC(C)(C)C)C(C)C 2296292526 ZFRXEEJYUNHZSV-KNQAVFIVSA-N 437.422 5.108 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1CCCN(Cc2ccccc2)C1 2296309090 QJCWTEPAORSUAP-VWNXMTODSA-N 425.414 5.081 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O)c1ccccc1 2296872193 ZFANWYHKOXQKNJ-UHFFFAOYSA-N 434.831 5.042 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCc4c(F)c(F)c(F)c(F)c4F)ccc3C2=O)cc1 2314437226 GUCBRZFRNANNBG-UHFFFAOYSA-N 446.371 6.140 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1cccc(Cl)c1Cl)C2=O)c1ccccc1 2314437613 RBBMKNGMRCIZLZ-UHFFFAOYSA-N 425.267 5.871 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O)c1ccc(Cl)cc1 2314437794 WTQGWRBKUFJOPT-UHFFFAOYSA-N 445.685 6.482 30 10 IKEE O=C1C(=Cc2ccccc2O)SC(=NN=Cc2ccc(Cl)cc2)N1Cc1ccco1 2314819222 VRFLYLWZSNUSMA-UHFFFAOYSA-N 437.908 5.145 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1N=Cc1cc(Cl)c(O)c(OCC)c1 2318574211 HJJXNCGEKWAENF-UHFFFAOYSA-N 444.988 5.553 30 10 IKEE SCC1(COCc2cc(I)ccc2Br)CCCC1 2319157837 KSCHIUQUOMFFMZ-UHFFFAOYSA-N 441.172 5.061 30 10 IKEE Cc1nnc(SCc2cccc(F)c2)n1N=Cc1cccc(OCc2ccccc2)c1 2321121914 MKJFDUKIRKDONE-UHFFFAOYSA-N 432.524 5.479 30 10 IKEE O=C1C(=Cc2ccccc2Cl)Oc2c1ccc1c2CN(CCCc2ccccc2)CO1 2322214349 MRYCVDFTXWDMGE-UHFFFAOYSA-N 431.919 5.741 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccccc2F)cc1OC 2322350269 PNWKQMABKHCOSK-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2ccc(Cl)cc2)cc1 2322402015 QMCAMPLOFPXOOP-UHFFFAOYSA-N 434.963 7.166 30 10 IKEE COC(=O)c1ccc(COc2ccccc2C=CC(=O)c2ccc(OC)c(Cl)c2)o1 2322974845 RTJKBLQWVYMOSK-UHFFFAOYSA-N 426.852 5.203 30 10 IKEE CCOC(=O)c1ccc(COc2cc(C=CC(=O)c3ccc(CC)cc3)ccc2OC)o1 2323063333 ANAQMPHTXAQOIZ-UHFFFAOYSA-N 434.488 5.502 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)CCCOc4ccccc4)cc(C)c3C2=O)cc1 2323177997 ULSVSKUYRMJUFM-UHFFFAOYSA-N 428.484 5.684 30 10 IKEE CCCOC(=O)COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 2323517538 ACYQFVWQCWCWFX-UHFFFAOYSA-N 438.263 5.130 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)C=Cc1ccc2c(c1)OCCO2 2323559665 AFIYZMUUXPDMSG-JOCHJYFZSA-N 444.616 5.013 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2)ccc1OCc1ccc(Cl)cc1 2323579728 PMWIGZBSJLIEFX-UHFFFAOYSA-N 436.935 6.531 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1 2323628321 SJGKOFBJDAWBOJ-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 2323628327 UKGMADPATAJHAP-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)ccc3C2=O)cc1 2323701331 DHFIZGXIUAKKRU-UHFFFAOYSA-N 449.846 5.646 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)cc([N+](=O)[O-])c1OCc1ccccc1C 2323707822 BJJNEVRBKRLWPX-UHFFFAOYSA-N 447.487 5.786 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCCc1ccccc1 2323780794 TUEGSRWQPVBPLT-UHFFFAOYSA-N 427.327 6.520 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1 2323805563 VUQLSYDQVKALRS-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)cc(C)c3C2=O)cc1 2323814173 XEGBQICWYQLXNZ-UHFFFAOYSA-N 442.511 6.180 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OCc1ccccc1Cl 2323896122 OZNFUBPXNSWRMU-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Cl)c1OCCc1ccccc1 2323953082 VNPURXLAWXQENR-UHFFFAOYSA-N 434.963 6.873 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)c(C)c1C 2324295046 TVFFPLRIZPFXSX-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1 2324372369 RICAIUORDLTZIM-LJQANCHMSA-N 425.484 5.573 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3C)c([N+](=O)[O-])c2)cc1C 2324451204 NTYRAAAQJZLWFD-UHFFFAOYSA-N 444.487 5.434 30 10 IKEE COc1ccc(OC)c(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)c1 2324649246 ORLPIZNTAWAIGZ-OAQYLSRUSA-N 432.545 5.840 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCCCOc4ccc(OC)cc4)c3C)C2=O)cc1 2324704060 MFKZCHJRNLILJI-UHFFFAOYSA-N 446.499 5.476 30 10 IKEE COc1ccc(C=C2Oc3cc(OCc4cccc5ccccc45)ccc3C2=O)cc1OC 2325272305 QPGUCGGESAFIHN-UHFFFAOYSA-N 438.479 6.052 30 10 IKEE CC(C)c1ccc(C=CC(=O)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1 2325494435 XYLXHHPRDKULOK-UHFFFAOYSA-N 433.935 6.263 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1c(OC)ccc2ccccc12 2325511709 ORNYYYTZLZBYKQ-UHFFFAOYSA-N 448.567 6.096 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2325603975 FEJSLHBTXYCRKC-UHFFFAOYSA-N 436.324 5.230 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(ccc(OCc4cccc(OC)c4)c3C)C2=O)cc1 2325699874 SMXMTRJDIOTFSE-UHFFFAOYSA-N 443.543 6.045 30 10 IKEE CCN(CC)CCOc1ccc2c(c1)OC(=Cc1cn(CC)c3ccc(OC)cc13)C2=O 2325703408 YTPPOLSTTLOANH-UHFFFAOYSA-N 434.536 5.007 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)CSc3ccccc3)c2)cc1 2325739608 CIDYTDOXUWTGQV-UHFFFAOYSA-N 432.541 6.069 30 10 IKEE CCOc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 2325746346 BDBOECJKKAOXSA-UHFFFAOYSA-N 428.528 6.498 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)CCCOc3ccc(C)cc3)c2)cc1F 2325748516 GMUNQVRVCYXKDO-UHFFFAOYSA-N 448.490 5.803 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(C)cc3)c2)c1 2325758147 QLXISOCLUUIGNA-UHFFFAOYSA-N 444.527 5.837 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cc(C)cc(C)c3)c2)cc1C 2325770553 SYYRFLAPZWIBJZ-UHFFFAOYSA-N 444.527 6.053 30 10 IKEE CCSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1ccc(F)cc1 2325883204 MNWIDFFOIROUMC-UHFFFAOYSA-N 434.540 5.576 30 10 IKEE Cc1cc(C)cc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccccn2)c1 2326422052 VJKUFNFOQDPVGG-UHFFFAOYSA-N 427.577 5.250 30 10 IKEE CCc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccc(C)cc2C)cc1 2326460973 FTLSXOFSXGNSEM-UHFFFAOYSA-N 440.616 6.223 30 10 IKEE CCCCOc1cccc(C=Nn2c(CCC)nnc2SCc2ccccc2Cl)c1 2326552246 VIJYANQQMMZZEG-UHFFFAOYSA-N 443.016 6.237 30 10 IKEE CCCCC1CCC(c2nnc(SCC(=O)OCCC)n2N=Cc2ccncc2)CC1 2328217456 QOAHAGZRSHTZTL-UHFFFAOYSA-N 443.617 5.065 30 10 IKEE CCCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc(Cl)cc1Cl 2329121588 DYXAYXRNQAZWRJ-UHFFFAOYSA-N 439.799 6.213 30 10 IKEE Oc1ccccc1C=Nn1c(Cc2ccc(F)cc2)nnc1SCc1ccc(F)cc1 2329808188 OACIKRUXFWJHNL-UHFFFAOYSA-N 436.487 5.027 30 10 IKEE Cc1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2[C@@H](C)c2ccccc2)cc1 2330050970 KRAJNRBFLITHDC-NRFANRHFSA-N 426.589 6.221 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccccc2)n1N=Cc1cc(Cl)ccc1O 2330635180 PHCAITZOXMJMIB-UHFFFAOYSA-N 434.952 5.787 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccccc3)n2N=Cc2cccc3ccccc23)c1 2330645884 MGOFFVSIAXDUJD-UHFFFAOYSA-N 434.568 6.581 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2c(F)cccc2Cl)cc1)c1ccc2c(c1)CCCC2 2330679655 NYEYUPMUMZFVPL-UHFFFAOYSA-N 434.894 6.473 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)[C@H](C)c3ccccc3)c([N+](=O)[O-])c2)c1 2330786109 MORURVMOSPFRSQ-QGZVFWFLSA-N 431.444 5.209 30 10 IKEE Cc1cccc(C=Nn2c(CC(C)(C)C)nnc2SCc2cccc3ccccc23)c1 2330860084 SEMGPXOGSWMQRQ-UHFFFAOYSA-N 428.605 6.503 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1Cl 2331224260 AKOFXZKNEIHYOV-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE Cc1ccccc1CCC(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1 2331240051 KIUFCKVGNLLAOH-UHFFFAOYSA-N 439.338 6.736 30 10 IKEE COc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OC 2331330767 GTQLSHGYNLXVPC-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE CCCSc1nnc(CC(C)C)n1N=Cc1ccc(N(CC)Cc2ccccc2)cc1 2331463649 XNFMMBVARAGARS-UHFFFAOYSA-N 435.641 5.887 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2)cc1 2331489770 CQGSKWLAMSPDJT-UHFFFAOYSA-N 442.555 6.779 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)c1ccco1 2331506061 OGUORDHTTNYYLF-UHFFFAOYSA-N 430.500 6.255 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1OC(=O)c1cccs1 2331532342 LOVXIDULCVKCJI-UHFFFAOYSA-N 441.436 5.309 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc(Cl)ccc3Cl)cc2)cc1C 2331704680 UJPXXIUWXVIIRB-UHFFFAOYSA-N 425.311 6.726 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)c1ccc(F)cc1 2331705185 MEIHICNZNNFEPU-UHFFFAOYSA-N 434.463 5.575 30 10 IKEE COC1(C#C[C@H](N)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCCC1 2338293265 XBETYVLXKBASBV-SANMLTNESA-N 441.571 5.807 30 10 IKEE CN(c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CC(C)(C)[C@H]1OCc1ccccc1 2365108765 ZKYODDKGEPBTST-UPVQGACJSA-N 448.416 5.546 30 10 IKEE COc1ccc(C#N)c(Oc2cc(NC(=O)OC(C)(C)C)c(C)cc2Br)c1 2370353848 WJGYSNGCZHKFLB-UHFFFAOYSA-N 433.302 5.777 30 10 IKEE N#CC1(C#N)[C@@H]2C=Cc3cc(F)ccc3N2[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1F 1056461 XWOXPOUXBUXFEU-ISJGIBHGSA-N 437.449 5.249 30 10 IKEE C=CCNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2 2912786 YDUQPCMHEUBTIQ-UHFFFAOYSA-N 434.948 5.567 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc3c(c2)N(CCCCC)C(=O)CO3)c1 12236621 REHIGRULHTZYFQ-UHFFFAOYSA-N 435.568 5.692 30 10 IKEE COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccccc1Cl 20881651 IPQYAYJNVQCYNL-QMTYFTJSSA-N 430.935 6.328 30 10 IKEE CCOc1cc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)ccc1OC(C)C 20881772 XCVQUDZOKCBDNE-SFTDATJTSA-N 433.548 5.185 30 10 IKEE CCOc1cc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(Cl)c(Cl)c2)C3)ccc1O 21236336 XIUHSJGPQZCTLQ-GJZGRUSLSA-N 446.330 5.102 30 10 IKEE CCCCSc1nnc2c(n1)O[C@H](c1ccc(C#N)cc1)N(C(=O)CC)c1ccccc1-2 32997078 NKUZGTZAGUXRPV-HSZRJFAPSA-N 445.548 5.137 30 10 IKEE Cc1cccc(/N=C2/NC(=O)/C(=C/c3ccc(OCc4ccccc4C#N)cc3)S2)c1 33529704 SFLZQGIPXVZJBF-UCQKPKSFSA-N 425.513 5.337 30 10 IKEE CCOc1ccc2oc(C)c(C(=O)Oc3ccc(/C=C/C(=O)c4ccccc4)cc3)c2c1 34954049 HYKIWEXHNGXGEY-RVDMUPIBSA-N 426.468 6.255 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OC(=O)c2ccc(C(C)(C)C)cc2)c(OC)c1 34955189 NAUZMNFQZPHMBO-SFQUDFHCSA-N 444.527 6.117 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 38320836 NTELUEGUGLRVIH-UCQKPKSFSA-N 432.903 6.473 30 10 IKEE Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1Nc1ncnc(OC(C)C)c1N 40688767 MQZWUOQWVJICMN-KRWDZBQOSA-N 442.350 5.860 30 10 IKEE COc1ccc(CN2COc3cc(C)c4c(c3C2)O/C(=C\c2ccccc2F)C4=O)cc1 41644911 CPGVMGLCMHSUDG-FMCGGJTJSA-N 431.463 5.111 30 10 IKEE O=C(NCC1(c2ccc(F)cc2)CCOCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 49520912 SCHYUDKPXSNBFO-UHFFFAOYSA-N 449.366 5.342 30 10 IKEE Cc1ccc(C(=O)/C=C\c2cn(C[C@H](O)CN3CCc4ccccc43)c3ccccc23)cc1 96498630 SACYANIVAVEYTE-IHXXNJTDSA-N 436.555 5.269 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2cccc([N+](=O)[O-])c2C)cc1 100153965 QOTGZOCPGSAGSA-UHFFFAOYSA-N 429.542 5.379 30 10 IKEE CCCCCCCCC/N=C\c1c(C(F)(F)F)[nH]n(-c2nc3ccccc3s2)c1=O 100167776 JSAPFWVGNMTSIW-QFEZKATASA-N 438.519 5.964 30 10 IKEE CCCCCCCCCCCCn1c([C@H](C)NC(=O)c2cccc(C)c2)nc2ccccc21 102112366 AEWRQOIZNXWHIL-DEOSSOPVSA-N 447.667 7.757 30 10 IKEE COc1c(Br)cc(/C=N/Nc2ccc(C)c(C)c2)c(OC)c1Br 169876785 JATBAAGDLWPCSR-AWQFTUOYSA-N 442.151 5.292 30 10 IKEE COc1ccc(-c2csc(N/N=C\c3ccc(OC(C)C)c(OC)c3)n2)cc1OC 169943089 KXRJRQYNHOHVGQ-FMCGGJTJSA-N 427.526 5.069 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1c1ccccc1C 169946322 SSTWQYFDZBFEAE-AREMUKBSSA-N 449.506 5.940 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2ccc(O)cc2)c1 169964868 XEQCBYTZQVSJGS-RUZDIDTESA-N 441.527 5.404 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2OC)[C@@H]1c1cccc(OC(C)C)c1 169980882 CITUDXXBARDIHJ-QHCPKHFHSA-N 437.536 5.251 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2c[nH]c3ccccc23)c1 170075229 GASXIESSYZJSJM-DEOSSOPVSA-N 438.483 5.268 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2c[nH]c3ccccc23)cc1 170075512 MCCCGWYHTJPEHD-RUZDIDTESA-N 436.511 5.822 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2ccco2)cc1C 170093862 TXXBSXMZQNLNIP-FQEVSTJZSA-N 441.405 5.698 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2sccc2C)cc1 170105473 LMXAPYFAFGPNCS-LJQANCHMSA-N 425.456 5.426 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2C2CCCC2)c1 170148681 UERQWFDKWKIAAU-DEOSSOPVSA-N 433.548 5.612 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2cccs2)c1C 170158644 IJNDMSSCHPJLKG-QFIPXVFZSA-N 428.513 5.629 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@H]1c1cccs1 170161641 YCDQDKQCQCICJE-JOCHJYFZSA-N 431.513 5.164 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1cccs1)c1ccc(Cl)c(Cl)c1 170162855 KKARCLKQNFYYCZ-SFHVURJKSA-N 445.327 5.228 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2ccccc2)c(C)c1 170228246 MOWXMRHOKQSYNX-RUZDIDTESA-N 439.511 5.411 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@@H]1c1ccc(F)cc1 170243138 QAFBVAYTHHPWQI-QFIPXVFZSA-N 439.527 5.510 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)(C)C)c2)[C@H]1c1ccccc1C 170276579 BGIUDBSVPZDRRZ-XMMPIXPASA-N 449.591 6.070 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccco2)cc1Cl 170282634 XWZUGVUMDNYXMW-NRFANRHFSA-N 437.879 5.341 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccco2)c1 170290527 RSYYTKKQKFXQTM-LJQANCHMSA-N 445.805 5.003 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccc(C)o2)c1 170299249 UWQHEAZSULOSGC-NRFANRHFSA-N 439.414 5.048 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1sccc1C 170316378 OBDCJSPZCAXYSL-NRFANRHFSA-N 449.572 6.034 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1CCc1c[nH]c2ccccc12 170425022 SQOLRRWNSGFRGD-FQEVSTJZSA-N 448.569 5.420 30 10 IKEE CCCOc1ccccc1N1C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]1c1ccc(N(C)C)cc1 170445543 ZCRAEOZDXGEEQQ-JOCHJYFZSA-N 436.552 5.057 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 170456502 LKWCRSFVIHYERK-DEOSSOPVSA-N 441.527 6.303 30 10 IKEE CSc1nc(Nc2ccccc2Oc2ccccc2)c(C#N)c(-c2cccc(Cl)c2)n1 242853298 GAWHLUZBRSVVGU-UHFFFAOYSA-N 444.947 6.926 30 10 IKEE C(=N/N=c1/[nH]c2ccccc2s1)c1cn(CCCOc2ccccc2)c2ccccc12 254814630 KHXFVHBMLFENTE-UHFFFAOYSA-N 426.545 5.588 30 10 IKEE Cc1cc(C)c(C=Nc2ccc(-c3ccc(N=Cc4c(C)cc(C)cc4C)cc3)cc2)c(C)c1 254865260 BYFNOEVGTLAECE-UHFFFAOYSA-N 444.622 8.705 30 10 IKEE N#Cc1cc(Cl)ccc1Nc1cc(I)ccc1Br 302367945 KPZTXKQAZCAIGD-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1c(F)ccc(Br)c1F)NCC 407324253 DPKHOKITEKVDQI-DLBZAZTESA-N 447.364 5.107 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(Cl)cccc1Br 407519994 NPHQGRVKHDLYJT-WMZOPIPTSA-N 445.829 6.003 30 10 IKEE CCCCCC(=O)/C=C/[C@H]1[C@@H]2CC(=O)O[C@@H]2C[C@H]1OC(=O)c1ccc(-c2ccccc2)cc1 504504401 KVAPQSSLLZXBHI-FIRUDLKMSA-N 446.543 5.536 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2c[nH]c3ccccc23)cc1 526487350 YFUTUSKTASDGFA-RUZDIDTESA-N 435.483 5.495 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@H]2c2cccc(C(F)(F)F)c2)cc1 526490398 WDFYSWIFGFUQNU-OAQYLSRUSA-N 438.380 5.773 30 10 IKEE CCOc1ccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1OC 526607165 NGYDDKQBQSMTCV-XMMPIXPASA-N 444.462 5.162 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(Nc2cccc(C#N)c2)=C(Sc2ccccc2)C1=O 526659551 UEIMDHUBHKMUOC-UHFFFAOYSA-N 445.931 5.509 30 10 IKEE CCOc1ccc2ccccc2c1/C=N\n1c(CC)nnc1SCc1ccc(C)cc1C 526811405 JRYHNHAGQQUWDN-YUMHPJSZSA-N 444.604 6.184 30 10 IKEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1cccc(OCC(C)C)c1 526814813 TUWRJRMGKIBUQB-MYKKPKGFSA-N 449.407 6.103 30 10 IKEE CCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1ccc(Cl)c([N+](=O)[O-])c1 526819289 RCLZDVVSOFFZOK-JJFYIABZSA-N 429.933 5.193 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1c(C)n(C)c2ccccc12 526821376 PODOSPFUXFWAOQ-YUMHPJSZSA-N 439.588 5.968 30 10 IKEE N#Cc1cc(NCc2ccc(Br)c(Br)c2)ccc1Br 690221602 SORNTMVKQYBCPH-UHFFFAOYSA-N 444.952 5.458 30 10 IKEE C[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Br)c2ccccc21 698481787 KHCUAJJZWGAAKV-QRQCRPRQSA-N 427.342 6.117 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCCc2sccc21 698490018 RCCMAWOFBXXMOM-FQEVSTJZSA-N 433.371 6.007 30 10 IKEE C(=Nc1cc2c3c(c1)[C@@H](c1ccccc1)CCN3CC[C@@H]2c1ccccc1)c1cccnc1 1084371200 OBHRBTYPODQXGF-KAYWLYCHSA-N 429.567 6.710 30 10 IKEE Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1C(=NNc1ccccc1)CC(C)(C)C2 1772729149 GYZORFQUKVGYMB-UHFFFAOYSA-N 437.543 6.782 30 10 IKEE COc1ccccc1/C=C1\SC(=NN=C/C=C\c2ccccc2)N(Cc2ccco2)C1=O 1772759561 UVUWVKGQHWAVAS-VPUHAEBPSA-N 443.528 5.460 30 10 IKEE N#Cc1ccccc1NC(=O)c1ccnc(NC(=O)CC(c2ccccc2)c2ccccc2)c1 1860506707 NJGXHQURPSDYQJ-UHFFFAOYSA-N 446.510 5.366 30 10 IKEE N#Cc1cccc(C(=O)Oc2ccc(C3CCN(C(=O)OCc4ccccc4)CC3)cc2)c1 1860706737 UMNPJEWAJZBYDQ-UHFFFAOYSA-N 440.499 5.294 30 10 IKEE CCCCCCCCn1c(C)cc(OCCCOc2ccc(C(=O)OC)cc2)cc1=O 1860785061 LSYGABZKDOTPSK-UHFFFAOYSA-N 429.557 5.152 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccccc2Cl)cc1C 1862403541 YLBVHMSOCMUVNF-OAQYLSRUSA-N 427.928 5.281 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@@H]2c2cccc(C)c2)c1 1862411629 LUWLTPCNVJCWFE-QHCPKHFHSA-N 433.454 5.360 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@H]2c2ccccc2C)cc1 1862429591 QBHNLVLANCGEEZ-XMMPIXPASA-N 445.946 5.778 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862453226 UWXRUAISWMGBTF-GOSISDBHSA-N 449.290 5.280 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2cccc(O)c2)cc1 1862475146 FFDYNKSRUCWZRJ-JOCHJYFZSA-N 433.891 5.133 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc2c(c1)CCCN2C 1862498139 AOSIZSYPRYSEDX-VWLOTQADSA-N 446.591 5.454 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCc2cccs2)cc1 1862501920 NSDAKLRZYVPAKK-HSZRJFAPSA-N 449.547 5.579 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 1862518264 GAWXPRPSNPPQPV-MHECFPHRSA-N 449.591 6.150 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2cc(Cl)cc(Cl)c2)cc1 1862538554 NIXPKHIQOJPROL-NRFANRHFSA-N 446.374 6.180 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2ccccc2Cl)c1 1862595192 KRCNMCXQLWTRDQ-JOCHJYFZSA-N 433.891 5.133 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2[C@H](C)c2ccccc2)c1 1862648786 JTDIZHUERWJEKI-HRFSGMKKSA-N 447.534 6.488 30 10 IKEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1cccc(Cl)c1)c1cccc2ccccc12 1862652087 CJFGWUOQOYOCRW-XXBNENTESA-N 447.918 5.251 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CC(C)C)c1 1862654717 QKYWEMSMFNAIAQ-XMMPIXPASA-N 429.516 5.473 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccc(Cl)cc2)[C@H]1c1ccccc1)c1ccc(F)cc1 1862672693 QHXYTJHDDFYFQG-QFIPXVFZSA-N 435.882 5.300 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1c(Cl)cccc1Cl 1862690302 MBKVFWDOQLUUQK-BLVKFPJESA-N 434.319 5.379 30 10 IKEE O=C(C1=C(O)C(=O)N(CCOc2ccccc2)[C@H]1c1ccccc1)c1ccc2ccccc2c1 1862712969 DWTSGRXKFGHZQA-SANMLTNESA-N 449.506 5.497 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(OC)c(OC)c1 1862717053 VMONEUMLTFCBFM-GYCJOSAFSA-N 445.515 5.234 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2C2CCCC2)cc1 1862736955 BYNSAZCBCNUMPH-QFIPXVFZSA-N 448.519 5.413 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862744152 LDPQIMAMOLRRGU-VOJFVSQTSA-N 449.290 5.278 30 10 IKEE COc1cccc(NC2=C(c3cccc4ccccc34)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1862849838 CBKTVBUZFQPGCX-UHFFFAOYSA-N 445.478 5.117 30 10 IKEE CCCCCCCCN1C(=O)C(NC2CCCC2)=C(c2ccc(OCCC)cc2)C1=O 1863684677 AZWOINVWXJULLS-UHFFFAOYSA-N 426.601 5.448 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)C[C@H](CC)CCCC)sc2c1 1866106852 KEYKJQBCOLOGLC-QGZVFWFLSA-N 449.642 5.204 30 10 IKEE CCc1ccc([C@H]2CN(c3cc(Nc4ccc(C#N)cc4)nc(C(C)C)n3)CCO2)cc1 1868242290 LYDWXCVBBFIAJF-HSZRJFAPSA-N 427.552 5.356 30 10 IKEE N#Cc1ccccc1Nc1cc(N2CC[C@H](c3ccco3)C2)nc(-c2ccccc2Cl)n1 1868419816 WSNRHFFYRJXEQU-SFHVURJKSA-N 441.922 5.999 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3cc(C)ccc3[C@H]2CC(C)C)nc(CCOC)n1 1869108820 JGSHHTWIYRUNAO-XMMPIXPASA-N 434.628 5.302 30 10 IKEE CC(C)(C)c1ccc(C(=O)Nc2c(C#N)nnn2Cc2c(Cl)cccc2Cl)cc1 1870112368 AFEXQYPYDBHXTC-UHFFFAOYSA-N 428.323 5.055 30 10 IKEE CCCCCCCOc1cn(Cc2cccc(C)c2)c(CN2C[C@@H](C)C[C@H](C)C2)cc1=O 1870412614 FEXGXSFUOKPTDZ-ZEQRLZLVSA-N 438.656 6.032 30 10 IKEE CCCCCCCOc1cn(CCC2=CCCCC2)c(CN2CCC(CO)CC2)cc1=O 1870416965 XGFYEFBNOFWXTA-UHFFFAOYSA-N 444.660 5.292 30 10 IKEE CCCCCCCCCCn1cc(OCc2ccc(C(=O)OC)o2)c(=O)cc1CN(C)C 1870558334 CZLVQDSORVJYMF-UHFFFAOYSA-N 446.588 5.009 30 10 IKEE C#CCOc1cn(CCCCCCO)c(CNc2cc(C(C)C)cc(C(C)C)c2)cc1=O 1871009087 CJDGINMHMBKAMP-UHFFFAOYSA-N 438.612 5.272 30 10 IKEE CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1cc(C(C)C)cc(C(C)C)c1 1871252096 KJFOSCJZCXOTDH-UHFFFAOYSA-N 443.591 6.178 30 10 IKEE Cc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(Cc1nc2ccccc2[nH]1)C3 1871347169 DQJANWULWSKYCJ-FMCGGJTJSA-N 437.499 5.148 30 10 IKEE COC(=O)c1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2sccc2C)C3=O)cc1 1871382026 KLVXRAHXJPMSKU-JASBIYDGSA-N 446.480 5.078 30 10 IKEE Cc1c(OC(=O)/C=C/c2ccc(-c3ccccc3)cc2)ccc2c1O/C(=C\c1ccco1)C2=O 1871382681 BGHJRSDLIZVFLN-AEIFYAOHSA-N 448.474 6.490 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)c1 1871387647 HUYNUVKYSKMNOM-QRVIBDJDSA-N 434.875 5.964 30 10 IKEE CCN(CCc1ccncc1)Cc1c(O)ccc2c1O/C(=C\C=C\c1ccccc1)C2=O 1871394384 UVLKMGRLPVQIPM-XAABERSQSA-N 426.516 5.024 30 10 IKEE Cc1cc(O[C@H](C)C(=O)Nc2ccc(F)cc2)cc2c1C(=O)/C(=C/c1ccccc1F)O2 1871400873 NNHQBOYSKXLALV-SRMCNWIXSA-N 435.426 5.295 30 10 IKEE CCCCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 1871401215 WXAIVWRDIGQGQJ-XYGWBWBKSA-N 442.511 6.000 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(O[C@@H](C)C(=O)Nc3ccc(C)cc3)ccc2C1=O 1871405010 BBPBPMDUOJVJIX-AOBKZXEFSA-N 443.499 5.416 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2)C3=O)c1 1871412520 UNWPYFSHGPIWGK-QHSFOXILSA-N 427.500 5.634 30 10 IKEE Cc1cc(OCCOc2ccccc2F)cc2c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O2 1871416884 AITZNJFVKLEFME-XKZIYDEJSA-N 435.407 5.116 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)c1 1871454195 KIFLHMQBKYXDLU-FMCGGJTJSA-N 433.891 5.591 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(Cl)cc1)[C@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1871889816 FKBYXRWNCIFUEB-ZHRRBRCNSA-N 449.016 5.187 30 10 IKEE CCc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 1872759890 BVDLXMKCKCDTLP-HXUWFJFHSA-N 435.505 5.316 30 10 IKEE N#C[C@@H](C(=O)CCCOc1ccccc1Cl)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1872760753 XFUHIUKLQRGRMP-INIZCTEOSA-N 441.896 5.407 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4ccccc4)cc3)n2)cc1 1872762905 ZFZUCOPMWKZTHZ-VWLOTQADSA-N 436.580 7.310 30 10 IKEE N#C[C@@H](C(=O)Cc1cccc2ccccc12)c1nc(-c2cccc(Br)c2)cs1 1872764504 ORHIYOURRVHMFM-FQEVSTJZSA-N 447.357 6.145 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(Cl)ccc3Cl)n2)cc1 1872770299 PLZXZLNBEDGBSB-QGZVFWFLSA-N 431.344 6.396 30 10 IKEE COc1ccc(OC)c(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4ccccc4)cc3)n2)c1 1872771470 VIWQWPSSGSPRGY-QFIPXVFZSA-N 440.524 5.984 30 10 IKEE Cc1ccc(C)c(-c2csc([C@@H](C#N)C(=O)CCCCCNC(=O)c3ccccc3)n2)c1 1872772419 ONDXKCXNRNMTTO-QFIPXVFZSA-N 445.588 5.594 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)nc3)n2)cc1C(C)C 1872779869 TTXNFZVHSIVLCV-KRWDZBQOSA-N 425.941 5.789 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@H](C#N)C(=O)COc2ccc(C)cc2C)n1 1872784907 ZWMCEMWOUHJFJZ-QGZVFWFLSA-N 440.952 5.653 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(C(C)(C)C)cc3)n2)c2ccccc12 1872788825 REANQUQEGYMTNP-QFIPXVFZSA-N 440.568 6.759 30 10 IKEE CCCCCCCCCCNc1ncnc2c1ccc(=O)n2-c1cccc(C(F)(F)F)c1 1873535664 KDZJHHHQDHPBHK-UHFFFAOYSA-N 446.517 6.352 30 10 IKEE CC(C)n1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccccc2C#N)c2ccccc21 1873868482 FNNOACOLQJZJQD-QFIPXVFZSA-N 446.551 5.168 30 10 IKEE Cc1c(CCC(=O)Nc2ccccc2C#N)c(=O)oc2c(C)c3oc4c(c3cc12)CCCC4 1873868615 KEZDCPBPULWVNN-UHFFFAOYSA-N 440.499 5.478 30 10 IKEE Cc1ccc(OCc2nnc(SCCc3ccccc3)n2/N=C/c2cccs2)cc1C 1874320917 QGVZOPIOHWLGEX-PCLIKHOPSA-N 448.617 5.752 30 10 IKEE Oc1cccc(/C=N/n2c(COCc3ccccc3)nnc2SCc2ccccc2F)c1 1874355602 RZCISNJCBGSUCZ-VULFUBBASA-N 448.523 5.014 30 10 IKEE Cc1cccc(CSc2nnc(CCc3cccs3)n2/N=C/c2ccccc2C)c1 1874370381 WWAMKASMVANAPU-PCLIKHOPSA-N 432.618 5.916 30 10 IKEE Fc1cccc(CSc2nnc(Cc3ccccc3F)n2/N=C/c2ccccc2F)c1 1874374810 OQTQTAKQUPIAGM-MZJWZYIUSA-N 438.478 5.461 30 10 IKEE COc1cccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccc(F)cc2)c1 1874398697 OIWFAYSUHMYAGQ-WPWMEQJKSA-N 446.551 5.386 30 10 IKEE Cn1cc(/C=N/n2c(Cc3cccs3)nnc2SCc2ccccc2)c2ccccc21 1874412428 NXUOSTKWQXXSTG-MFKUBSTISA-N 443.601 5.597 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccccc2)n1/N=C/c1ccccc1C(=O)O 1874426195 VXBXSJBLCKZDEU-MFKUBSTISA-N 428.517 5.126 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2-c2ccccc2)cc1 1874427043 NKJZYCATIPSUNV-WPWMEQJKSA-N 446.551 6.048 30 10 IKEE COc1ccccc1/C=N/n1c(SCc2ccccc2Cl)nnc1-c1ccccc1 1874428285 BASDDATUXVIAKH-MFKUBSTISA-N 434.952 5.782 30 10 IKEE Oc1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2Cl)nnc1[C@@H]1CCCO1 1874451005 PUZZLKKFZHXCKM-RIDKEVFESA-N 449.363 5.317 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1/N=C/c1c(OC)ccc2ccccc12 1874475981 CIDIDTOIHYFKMJ-JVWAILMASA-N 448.567 6.096 30 10 IKEE COc1cccc(C(=O)/C=C/c2c(OCc3cccc4ccccc34)ccc3ccccc23)c1 1874572491 PULARUZQZJMNFL-ISLYRVAYSA-N 444.530 7.477 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(F)c(C)c1 1874581482 PPKHPPVFTKGXST-JXMROGBWSA-N 431.935 5.711 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccc(C)cc2)cc1C(C)C 1874585073 LJVSPXXLPOGRCV-ZRDIBKRKSA-N 448.990 7.564 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)c1OCc1ccc(F)cc1 1874588712 ADBCRFPMAMXECF-FMIVXFBMSA-N 440.898 6.280 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2cccc(OCC(=O)OCCC)c2)cc1 1874597757 CQXBWWHEBBDUPY-SFQUDFHCSA-N 438.564 6.264 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OCC(=O)OCC(C)C 1874623091 LMPXHRBIEOMEAQ-IZZDOVSWSA-N 444.955 5.946 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)ccc1OCc1ccc(C)cc1 1874634068 JWTLBURGWMYDHC-PKNBQFBNSA-N 436.935 6.449 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1Cl 1874637409 YOFNTTMCOYZEPR-CSKARUKUSA-N 443.326 6.486 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(F)cc2)c([N+](=O)[O-])c1)c1cc(Cl)ccc1Cl 1874638099 ITHDXTPJCHTRSF-YCRREMRBSA-N 446.261 6.516 30 10 IKEE O=C(Oc1cccc(/C=C/C(=O)c2ccccc2Cl)c1)c1ccc2cc(Cl)ccc2n1 1874696889 OXBXRLCVLJVWGJ-MDWZMJQESA-N 448.305 6.657 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(F)cc2)CSc2nnc([C@H]3CCCO3)n21 1874947091 VLIXDBZCRIYCKE-WOJBJXKFSA-N 446.592 5.331 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OC(C)=O)cc3)c(Cl)c2)cc1 1875099886 DKJJVANOQXTXLY-MKMNVTDBSA-N 448.902 5.943 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(C)c3)cc2)cc1 1875107308 JXIOSGDLWCSNLW-OQLLNIDSSA-N 444.527 5.837 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2Cl)cc(OC)c1OC(=O)CC(C)(C)C 1875110461 MDHHHNAUDNDQRO-OUKQBFOZSA-N 426.940 6.315 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)c1ccc(C)c(C)c1 1875119707 ISPFJWRPAHFQNP-SDNWHVSQSA-N 430.500 5.826 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)c1cncc(C)c1 1875134672 FBGNVRCIBGHPAA-VQHVLOKHSA-N 449.934 6.174 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1Br 1875150721 BGOGVDZSBVSNNI-VMPITWQZSA-N 431.282 5.170 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2Cl)cc1 1875155891 UQHLZZLIPWNZKW-PJQLUOCWSA-N 448.946 6.977 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)Cc1ccc(OC)cc1 1875158661 HUAXDPOINYHQAB-MKMNVTDBSA-N 434.463 5.277 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3)c([N+](=O)[O-])c2)c(C)c1C 1875167185 SVCBJHAAEDNOOV-NYYWCZLTSA-N 449.434 5.475 30 10 IKEE COc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1 1875170051 ZVSOBOQKHJQGAE-SDNWHVSQSA-N 446.499 5.201 30 10 IKEE CCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1OCC 1875188274 RMDXJDKUYMOYFC-VQHVLOKHSA-N 437.319 6.002 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)C3CCC3)c(Br)c2)cc1Cl 1875188844 MKWVPADJRQCXPI-VMPITWQZSA-N 449.728 5.713 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N1C[C@H](C)C[C@@H](C)C1)n2CCCC 1875213484 ZEYYWQRSEVVCSC-NHCUHLMSSA-N 441.664 6.122 30 10 IKEE O=C(NCC#CCN1CCCCCC1)c1cc2ccccc2c2cc(Br)ccc12 1891615615 BPRMAJWMLYUJSQ-UHFFFAOYSA-N 449.392 5.365 30 10 IKEE C=CCN(CC(=C)B1OC(C)(C)C(C)(C)O1)C(=O)c1ccc(OCc2ccccc2)cc1 1916896082 FXAUMYGMMWIHKJ-UHFFFAOYSA-N 433.357 5.081 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1C[C@H]2CC[C@H]1N(C(=O)OC(C)(C)C)C2 1922085216 HCXYXZLBFAFURU-MOUTVQLLSA-N 428.617 5.163 30 10 IKEE CC1(C)CC[C@@H](Nc2ccc(C#N)c(Br)c2)[C@@H](CNC(=O)OC(C)(C)C)C1 1927067677 FAFZXYYDARKHOX-CRAIPNDOSA-N 436.394 5.452 30 10 IKEE CC1(C)CC[C@@](C#N)(N(CC2CC2)C(=O)OC(C)(C)C)[C@H](CNC(=O)OC(C)(C)C)C1 1927165138 KQZCTYWOQGFKTM-UUOWRZLLSA-N 435.609 5.247 30 10 IKEE C=C[C@@](CCC)(NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCC)C(=O)O 1927514222 QVQBUNQEHFJAOK-IGKIAQTJSA-N 435.564 6.141 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1CN(C(=O)OC(C)(C)C)C2(CCC2)C1 2001525373 GBNHPTXTGZJUKI-DHIUTWEWSA-N 428.617 5.307 30 10 IKEE O=C[C@]1(C(F)(F)F)C[C@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2024245341 XXLAVBQOXRSPAN-XUZZJYLKSA-N 426.434 6.080 30 10 IKEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2032560711 ISBBQQRFJRGZFM-MZNJEOGPSA-N 447.551 5.497 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCN(Cc3ccccc3)CC2)c1 2042390175 CWVVVGVKCIAUPJ-SANMLTNESA-N 435.568 5.385 30 10 IKEE CC(C)(C)OC(=O)N1CCC(C[C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)CC1 2045574426 GXEMNGBIKXNKCT-OAQYLSRUSA-N 449.636 5.876 30 10 IKEE CC(C)c1nn([C@@H](c2ccc(C3CC3)cc2)C(C)C)c(I)c1C#N 2079015469 UZLXUPOMEKRZFO-LJQANCHMSA-N 433.337 5.606 30 10 IKEE Cc1ccc([C@H](C2CCC2)n2nc(C3CC3)c(C#N)c2I)c(C)c1 2079026958 LWDQPZNPOBAQLN-IBGZPJMESA-N 431.321 5.243 30 10 IKEE Cc1ccc([C@H](C(C)C)n2nc(C(C)C)c(C#N)c2I)c(F)c1 2079039736 JSBAAMRODDPCNV-KRWDZBQOSA-N 425.289 5.176 30 10 IKEE CC[C@@H](c1ccc(C)c(C)c1)n1nc(C(C)C)c(/C=N/O)c1I 2079099456 TYFNDMQZJHBQPT-UWSDUSPXSA-N 425.314 5.035 30 10 IKEE CC(C)c1ccc([C@@H](n2nc(C(C)C)c(C#N)c2I)C(C)(C)C)cc1 2079907475 YKIVBTAHNMNTTF-LJQANCHMSA-N 449.380 6.242 30 10 IKEE CC[C@@H](c1ccc(OC(C)C)cc1)n1nc(C2CCC2)c(C#N)c1I 2080119303 IXFQHQAGXVGMFQ-SFHVURJKSA-N 449.336 5.413 30 10 IKEE Fc1c(F)c(F)c(-c2cc(Cl)n3nc(C(F)F)c(Br)c3n2)c(F)c1F 2081371959 IMBZJZUHJGMSHP-UHFFFAOYSA-N 448.523 5.445 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H](c2cc(Cl)n3nc(C4CCCC4)c(C#N)c3n2)C1 2081403718 PNCXNHHKCKWOMV-HNNXBMFYSA-N 429.952 5.026 30 10 IKEE Fc1ccc(C(F)(F)F)nc1-c1c(C(F)(F)F)nn2c(Cl)c3c(nc12)CCCC3 2081525984 HSOGHVAWMSPQCL-UHFFFAOYSA-N 438.734 5.500 30 10 IKEE C=CCC1(NCc2cc(C)c(Br)s2)CCN(C(=O)OC(C)(C)C)CC1 2082332642 RYWYVNLJCIDLLA-UHFFFAOYSA-N 429.424 5.254 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)[C@@H]1[C@@H]2CCC(F)(F)[C@@H]21 2119358277 GMWIFQPVNCMAGA-MWNCTCPHSA-N 427.289 5.374 30 10 IKEE C=C(COC(C)C)[C@@H](NCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134728392 SMNKJWAOSIPRAW-GDLZYMKVSA-N 445.603 6.476 30 10 IKEE CO[C@@H]1CC(F)(F)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2162038127 YOOVZKNRUOSCES-QAPCUYQASA-N 445.304 5.287 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CC[C@H](Nc3cccc(Br)c3C#N)C2)CC1 2162329647 SZBXVPAJRGRGAQ-HNNXBMFYSA-N 434.378 5.302 30 10 IKEE C[C@@H]1[C@@H](Nc2ccc(C#N)c(Br)c2F)C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2162387013 IZEQNUPCBMMUNG-XABYNWHXSA-N 438.341 5.048 30 10 IKEE C#CCCN(C(=O)c1cc(NC(=O)OC(C)(C)C)c(C)cc1Br)C(C)(C)C 2180075321 YATKETJTYUMQHR-UHFFFAOYSA-N 437.378 5.369 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)nn1C(C)C 2232458379 KNRPUOVWKSLEEU-MAUKXSAKSA-N 443.430 5.127 30 10 IKEE CCCCCC#CC[C@@H](O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237396008 XYPQLQQEKLBXLY-WOJBJXKFSA-N 438.406 5.220 30 10 IKEE CC(C)(C)OC(=O)NCc1cccc(Cl)c1Nc1cccc(Br)c1C#N 2269433229 DHKPBWDRYFGHRY-UHFFFAOYSA-N 436.737 5.742 30 10 IKEE C=CCC1(COc2cc(F)cc(Br)c2N)CCN(C(=O)OC(C)(C)C)CC1 2287753968 TVNNHHOMYJSSJO-UHFFFAOYSA-N 443.357 5.143 30 10 IKEE C=C([C@H](OCCC(=O)O)c1scc(Br)c1Br)[Si](C)(C)C 2290955552 OQJBQADKNLCJNO-LBPRGKRZSA-N 442.245 5.239 30 10 IKEE COc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2ccccc2F)cc1 2296125670 MGLATFUNRHULEZ-XMMPIXPASA-N 429.447 5.017 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H](C[C@@H](C)CC)NC(=O)OC(C)(C)C 2296217372 UAQKKVDLFPOEFB-DBVUQKKJSA-N 437.422 5.108 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)C[C@H](CCC)NC(=O)OC(C)(C)C 2296222845 WQAASCUNCHCCOD-PMACEKPBSA-N 437.422 5.252 30 10 IKEE O=C1C(=O)N(c2ccc(F)cc2)[C@@H](c2ccc(Cl)cc2)C1=C(O)c1ccc(Cl)cc1 2296358432 CDPGZSMPWXGRIE-FQEVSTJZSA-N 442.273 5.759 30 10 IKEE CCCOc1ccc(C(=O)C(=Cc2ccc(N(C)C)cc2)c2nc3ccccc3o2)cc1 2296729367 DZDRFHBVBBHMHP-UHFFFAOYSA-N 426.516 6.106 30 10 IKEE O=C1C(=Cc2ccc(-c3ccc(F)cc3)o2)CCCC1=Cc1ccc(-c2ccc(F)cc2)o1 2296832309 RBJJAWPBKHYHSE-UHFFFAOYSA-N 442.461 7.705 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OC(=O)c2ccccc2Br)cc1 2314429626 LBSRYRGHLFOJOD-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE N#Cc1nc(-c2ccccc2)oc1NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2320833990 URMQQTLAPNVYRP-UHFFFAOYSA-N 428.879 5.892 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]2C)cc1 2321322559 UGAMMMFVDBSVAO-CEYNDMKZSA-N 443.588 5.664 30 10 IKEE CCCSc1nnc(C(C)C)n1N=Cc1ccc(OCc2ccc(C)cc2)c(OC)c1 2321828842 GWBLOMPJPSDZMM-UHFFFAOYSA-N 438.597 5.682 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(N(C)C)cc1)O3)CN([C@H]1CCCC[C@@H]1C)CO2 2322153258 RUAZZHCHHKOTNP-JTSKRJEESA-N 432.564 5.408 30 10 IKEE COc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(Cc1cc(C)ccc1C)C3 2322170888 DDVXYYAUACPPTI-UHFFFAOYSA-N 441.527 5.589 30 10 IKEE COc1cc(C=NNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)c(Cl)c1 2322969253 HBXFBJWPZSIDPL-UHFFFAOYSA-N 446.290 5.935 30 10 IKEE CCCCCCCCCOc1ccc(C=NNc2ccc(C)c(Cl)c2)cc1OCC 2322969531 NIUDLLZSIPHDTG-UHFFFAOYSA-N 431.020 7.623 30 10 IKEE CCCCCCCCCOc1ccc(C=NNS(=O)(=O)c2ccccc2)cc1OC 2323097828 JDZYRFSYPOXJLK-UHFFFAOYSA-N 432.586 5.137 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1C 2323323650 PAIDGXDXGDBMTC-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE O=C(Cc1cc(Cl)ccc1Cl)Oc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O 2323403970 FTDOZCORAPZELR-UHFFFAOYSA-N 443.257 5.897 30 10 IKEE COc1ccc(OC)c(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2)C3=O)c1 2323494226 ACILCBXDEBRNEX-UHFFFAOYSA-N 442.467 5.247 30 10 IKEE Cc1cc(OC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc2c1C(=O)C(=Cc1ccccc1)O2 2323595501 CXUAQESTZYOYKX-UHFFFAOYSA-N 427.412 5.138 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)CC1 2323651807 HWTGLVNOGCBWLB-UHFFFAOYSA-N 438.951 6.858 30 10 IKEE Fc1ccc(-c2csc(NN=Cc3ccc(OCCCc4ccccc4)cc3)n2)cc1 2323865050 APRLCYQCQBRKMB-UHFFFAOYSA-N 431.536 6.407 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OCC(=O)Nc1ccccc1C 2323960131 SRJRBWSZKWDCJO-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2cc(Cl)c(OCC)c(OCC)c2)cc1 2324210037 LXRZSIHSVDZJEH-UHFFFAOYSA-N 444.999 7.383 30 10 IKEE COc1cc(OC)c(OC)cc1C=C1Oc2cc(OCCCc3ccccc3)ccc2C1=O 2324266137 YWTSRIOGQMIEQO-UHFFFAOYSA-N 446.499 5.340 30 10 IKEE Cc1c(O[C@H](C)C(=O)Nc2ccc(F)cc2)ccc2c1OC(=Cc1cccc(F)c1)C2=O 2324319800 INOZAHBOTRWNAX-OAHLLOKOSA-N 435.426 5.295 30 10 IKEE COc1ccccc1C=C1Oc2cc(O[C@H](C)C(=O)Nc3ccc(C)cc3)cc(C)c2C1=O 2324375725 DCWFNFCKAADPOE-GOSISDBHSA-N 443.499 5.334 30 10 IKEE COc1ccccc1C=C1Oc2cc(O[C@H](C)C(=O)Nc3ccccc3C)cc(C)c2C1=O 2324407172 MLIXONXYEFVFRQ-GOSISDBHSA-N 443.499 5.334 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 2324439279 IVCZZIDAELXBQX-UHFFFAOYSA-N 447.487 5.704 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OCc2ccc(F)cc2)c(Cl)c1 2324574652 IZYUWVWRONXFBC-UHFFFAOYSA-N 436.954 7.560 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCCCOc4ccc(OC)cc4)cc(C)c3C2=O)cc1 2324706319 OTVHFEYWJGTBLP-UHFFFAOYSA-N 444.527 6.030 30 10 IKEE Cc1c(OCC(=O)NC2CCCCC2)ccc2c1OC(=Cc1cccc(Cl)c1)C2=O 2325327334 CQAZRGLYKXMGFL-UHFFFAOYSA-N 425.912 5.092 30 10 IKEE COc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)[C@H](C)c1ccccc1 2325675264 GZTWAROICSEUNA-QGZVFWFLSA-N 431.444 5.209 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC(=O)CCOc3ccccc3)c2)cc1 2325712580 BQVBDOUUZBNULX-UHFFFAOYSA-N 428.528 6.300 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1OC(=O)c1cc2ccccc2n1C 2325725504 ORWZHRFQJNMJRZ-UHFFFAOYSA-N 447.437 5.580 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(F)cc3F)c2)cc1OC 2325725787 KYOYWHPRPLIIFI-UHFFFAOYSA-N 438.426 5.026 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3[nH]c4ccc(C)cc4c3C)c2)cc1 2325735052 ZHKXDQNLFMXUNI-UHFFFAOYSA-N 439.511 6.299 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OC(=O)[C@H]1C[C@H]1c1ccccc1Cl 2325737856 ZTEXAEFSCBDZCO-VXKWHMMOSA-N 446.930 6.262 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2OC)cc1OC(=O)c1ccc([N+](=O)[O-])cc1 2325742341 BEKONFSKFYVPDD-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE COc1ccc(OCc2nnc(SC)n2N=Cc2c[nH]c3ccccc23)c(C(C)(C)C)c1 2325816077 DIFBUHZNKNHBSX-UHFFFAOYSA-N 449.580 5.249 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(OC)c(O)c1Cl 2326736187 CLLNJZYNQCCCCF-UHFFFAOYSA-N 448.951 5.302 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1ccc(F)cc1F 2327185978 OMVXJDMMUVJADZ-UHFFFAOYSA-N 442.535 5.427 30 10 IKEE CCCOc1cccc(C=Nn2c(COc3ccccc3Cl)nnc2SCCC)c1 2327674478 WFHNSMQNMWONNZ-UHFFFAOYSA-N 444.988 5.684 30 10 IKEE CCc1ccc(C=Nn2c(SCc3ccccc3C)nnc2-c2ccccc2Cl)cc1 2329539386 GHDTWILDKVXCLI-UHFFFAOYSA-N 447.007 6.644 30 10 IKEE COc1ccccc1C=Nn1c(Cc2ccc(C)cc2)nnc1SCc1cccc(F)c1 2329956060 GDWGMGIXBUWOHA-UHFFFAOYSA-N 446.551 5.500 30 10 IKEE CC(=Cc1ccccc1Cl)C(=O)N[C@@H](C(=O)Nc1ccccc1C#N)c1ccccc1 2330476893 JHPMFXMPNCBKCR-HSZRJFAPSA-N 429.907 5.111 30 10 IKEE COc1ccccc1CCC(=O)Oc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1 2330621872 IHFVKIWMHVEWEQ-UHFFFAOYSA-N 431.444 5.038 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1OC 2330802255 SGSYAEASZGUEDZ-UHFFFAOYSA-N 427.711 6.257 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccccc1 2330822285 RPTHAOYQGRQZIJ-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)CSc1ccccc1 2331078045 QCRZAHSKTOYKAM-UHFFFAOYSA-N 448.540 5.688 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccco3)n2N=Cc2ccccc2OC(C)C)c1 2331183176 XCDYFHAYKPEGKY-UHFFFAOYSA-N 432.549 5.808 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)c1ccc(N(C)C)cc1 2331183267 MGTFBRUIWVJBSC-UHFFFAOYSA-N 441.527 5.605 30 10 IKEE O=C(COc1cc(F)ccc1F)Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1 2331470807 LVFISWOEYIDXTB-UHFFFAOYSA-N 444.433 5.999 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)c1ccccc1C 2331554750 JNWPKBXLRXBQEY-UHFFFAOYSA-N 442.845 6.051 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)CC(C)C)c([N+](=O)[O-])c2)cc1C(C)C 2331577544 DCKMWKDKTSATGU-UHFFFAOYSA-N 439.508 5.883 30 10 IKEE CC(C)c1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc([N+](=O)[O-])cc1 2331706471 WADPPXLURFEHCA-UHFFFAOYSA-N 431.521 5.637 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3Cl)c([N+](=O)[O-])c2)cc1C 2331706622 CIGSRDMTUPJKJY-UHFFFAOYSA-N 449.890 5.909 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OC(=O)CC2CCCCC2)cc1 2331741299 IDACTMRGVGYICS-UHFFFAOYSA-N 426.940 6.429 30 10 IKEE N#Cc1ccc(Oc2cc(Br)cc(Br)c2)c(F)c1Br 2338857439 FALLMHDDHWVZDS-UHFFFAOYSA-N 449.899 5.777 30 10 IKEE Cc1cc(CNc2ccc(NC(=O)OC(C)(C)C)cc2)cc(B2OC(C)(C)C(C)(C)O2)c1 2343646736 OWFAYGXGSIQOBR-UHFFFAOYSA-N 438.377 5.253 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(OCC)cc2)cc1 5926972 AJLBCDOZPIQFLH-XMMPIXPASA-N 443.499 5.267 30 10 IKEE C=C(C)COc1ccccc1NC(=S)NC(=O)c1cccc(OCCc2ccccc2)c1 10333701 FCEITSKCNOFLDX-UHFFFAOYSA-N 446.572 5.390 30 10 IKEE CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2OC)C3)cc1 20881639 RVNZMNOPBOUCFD-GDJIYFAZSA-N 440.543 6.073 30 10 IKEE COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2C)c1 21245151 YBRBBOXXURWBKL-WRHNGFHOSA-N 440.543 5.992 30 10 IKEE O=C1/C(=C/c2ccc(-c3ccccc3)cc2)Oc2cc(OCc3ccc(Cl)cc3)ccc21 34107908 UKNHTDMLBFZOJD-YUMHPJSZSA-N 438.910 7.202 30 10 IKEE C=C(C)C(=O)N[C@@H](C)c1nc2ccccc2n1CCCOc1ccc(/C=C/C)cc1OC 40191144 BWHJSBDYVPIWEV-IUYMFKLXSA-N 433.552 5.300 30 10 IKEE C=C(C)C(=O)N[C@@H](C)c1nc2ccccc2n1CCCCOc1ccc([C@H](C)CC)cc1 40191229 XHEOVWTVWQYMFW-RTWAWAEBSA-N 433.596 6.162 30 10 IKEE COc1cccc(C(=O)/N=C(/NCCc2c[nH]c3ccccc23)Nc2cc(C)cc(C)c2)c1 66437599 XZRXGPLICPZRBC-UHFFFAOYSA-N 440.547 5.234 30 10 IKEE biogenic COc1ccc(/C=C\C(=O)c2ccccc2O)cc1COc1ccc(Cl)cc1Cl 96602969 SRBZODNUWJWOPZ-TWGQIWQCSA-N 429.299 6.183 30 10 IKEE CCCCCCCCCCCCCCCCCCN(C)C(=O)N[C@@H]1CCS(=O)(=O)C1 100839063 VTIOISNRROWDPR-HSZRJFAPSA-N 444.726 6.076 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)S/C1=N/c1nc(C)cs1 101129159 SSFTUMKJAUQYOS-MDRWVBAWSA-N 429.954 5.989 30 10 IKEE CC(C)c1ccc(/C=C2/Oc3cc(OCC(=O)OCc4ccccc4)ccc3C2=O)cc1 102734471 GGUKEGPZIBBTMC-AFUMVMLFSA-N 428.484 5.548 30 10 IKEE CCCCCCCC(=O)N(Cc1cccc(OS(=O)(=O)c2ccc(F)cc2)c1)C1CC1 102991162 UBTZOPDANHLIQO-UHFFFAOYSA-N 447.572 5.445 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1ccccc1-n1ccnc1 137535221 DZUXFTFMYOKLIP-UHFFFAOYSA-N 425.661 8.072 30 10 IKEE COc1cc(/C=N/NC(=S)Nc2ccccc2)ccc1OCc1ccc(C(C)(C)C)cc1 169884451 UYOPEIDZEDODFI-WPWMEQJKSA-N 447.604 5.892 30 10 IKEE CC(C)Oc1ccc(/C=N\Nc2nc(-c3ccc(F)cc3)cs2)cc1Br 169942108 MZHNROFSZZWPLN-YVNNLAQVSA-N 434.334 5.945 30 10 IKEE CCCCOc1ccc(/C=N\Nc2nc(-c3ccccc3OC)cs2)cc1OCC 169943427 UTAWXMCMLZTWNB-IWIPYMOSSA-N 425.554 5.842 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccccc2OC)c1 169945284 VKNLOYXAEVGHDV-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 169953919 OBBOYRUXOAIOMV-SANMLTNESA-N 440.543 5.163 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@H]1c1cccnc1)c1c[nH]c2ccccc12 170004524 NHKSEIGOXIQARZ-NRFANRHFSA-N 447.853 5.138 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@H]2c2ccncc2)ccc1F 170017136 BZRVAFJKLWLNBN-QHCPKHFHSA-N 444.506 5.610 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2ccncc2)c1 170018708 CQTUCHRVTVEHRH-JOCHJYFZSA-N 448.906 5.225 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccccc2)ccc1F 170055241 IMRFIYNGSWRIHL-QHCPKHFHSA-N 433.454 5.094 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)c1 170062807 NXYSFVMIVZTEGD-JOCHJYFZSA-N 435.882 5.879 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(F)cc2)cc1 170063494 TYAWFDKJSCIKOP-QHCPKHFHSA-N 426.447 5.043 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cc(C)c(OC)cc3C)=C(O)C(=O)N2C2CCCCC2)cc1 170114936 SPDHOSOFTSIHAR-XMMPIXPASA-N 449.547 5.232 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2c2ccccc2)c1 170117997 OFXMKRGYKRYCAJ-RUZDIDTESA-N 439.511 5.357 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccc(O)cc2)ccc1Cl 170133305 YJUFIFNKHPTPJO-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2Cc2ccco2)c1 170143869 VFDHAGWPURAUGS-DEOSSOPVSA-N 427.500 5.245 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@H]1c1cccc(C)c1 170146993 PRIHMHBTUAVIBB-LJQANCHMSA-N 428.326 5.054 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(OC(C)C)cc1 170152377 CECROMJZBKPURR-DEOSSOPVSA-N 429.516 5.615 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccs2)cc1 170156623 LUJNSECDTNYILR-QFIPXVFZSA-N 433.529 5.628 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@H]1c1cccs1 170165113 BNWHIIIJOJVSMR-GOSISDBHSA-N 438.574 5.558 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccccn2)c1 170170241 JQEIQAMTPAHWHT-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccccn1 170173842 VLTTYGPBPFNMPV-NRFANRHFSA-N 448.906 5.143 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)cc(Cl)c2OC)[C@@H]1c1ccncc1 170211007 LNWRKKLIZLGRIF-SFHVURJKSA-N 449.334 5.166 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccccc1)c1ccc2c(c1)CCCC2 170221716 ZEHPHNLHRZFJQC-HSZRJFAPSA-N 429.541 5.405 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2)cc1 170221812 HHKMPUOIWFXBHY-QFIPXVFZSA-N 433.529 5.314 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccccc2)c(OC)c1 170228071 RIERDRWCFYORMK-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1ccc(F)cc1 170243731 JUUYYHQHOIMVEQ-QFIPXVFZSA-N 425.500 5.381 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1F)c1cccc2ccccc12 170248197 GIKFGGGQRDNQSM-DEOSSOPVSA-N 441.433 5.901 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1Cc1ccncc1 170275183 POVGMGBYIOCUKB-VWLOTQADSA-N 434.495 5.322 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@@H]1c1ccco1 170294768 WDZNUHBSHFHHHD-NRFANRHFSA-N 425.525 5.354 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccc(Cl)cc2)o1 170303157 GYZVMKKVPUPJJT-HXUWFJFHSA-N 425.843 5.472 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@H]3c3sccc3C)oc12 170316423 ZOCYVJSNFQNFSJ-LJQANCHMSA-N 449.484 5.183 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccc(OCC(C)C)c2)cc1 170366030 ZOGONRGALNCLIP-RUZDIDTESA-N 441.527 5.813 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2c(C)[nH]c3ccccc23)cc1 170403533 VXUZUOZXJRHAFG-RUZDIDTESA-N 436.511 5.822 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(OCC(C)C)cc2)c1 170430313 UVPFBWXHDQWGNW-QHCPKHFHSA-N 447.487 5.106 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)C(C)C)[C@@H]1c1cccc(Oc2ccccc2)c1 170456680 MEVLPCBXXWYWAC-DEOSSOPVSA-N 427.500 5.912 30 10 IKEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3ccc(OC(C)C)cc3)nc2c1 170474576 XBZKUVPUZUIMNZ-QHCPKHFHSA-N 447.535 5.174 30 10 IKEE Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)c3oc4ccccc4c3C)cc(C)c2c1 170581012 PWSPKUWAJLCLMG-UHFFFAOYSA-N 435.487 5.524 30 10 IKEE Cc1cc(OCC(=O)[C@@H](C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc(C)c1Cl 197610261 OUWCWPYLELXRJH-QGZVFWFLSA-N 441.896 5.244 30 10 IKEE CCCCCCCN1C(=O)/C(=C2/SC(=S)N(C3CCCCC3)C2=O)c2ccccc21 206165795 DNTGQNYDROEJOF-QZQOTICOSA-N 442.650 5.908 30 10 IKEE CC[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)CCCCCCCCC1=C(C)C(=O)C=C(OC)C1=O 238764081 KHHZVKWVVWMRKC-UARRHKHWSA-N 446.716 8.231 30 10 IKEE Cc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C(=Nc3ccccc3)S2)c(C)c1 252624473 POLQYPVNZHMTEU-HSZRJFAPSA-N 443.572 5.464 30 10 IKEE CCC(C)(C)[C@@H]1CCc2sc3ncnc(NN=Cc4cccc5ccccc45)c3c2C1 254507545 XGARXZOHWZUNPN-LJQANCHMSA-N 428.605 6.832 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cn(C)c3ccccc23)cc1 526516123 NPDQZBJFNNTVHP-RUZDIDTESA-N 435.483 5.116 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(O)cc2)cc1 526603954 JGWBXPOVEKWDBM-XMMPIXPASA-N 426.472 5.110 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccc(OC(C)C)c(OC)c1 526807373 XZLXVSIHGWHIDP-CFRMEGHHSA-N 444.988 5.464 30 10 IKEE CCCOc1cccc(/C=N\n2c(C)nnc2SCc2ccc(Cl)c(Cl)c2)c1 526813834 AYUSSJQKXXUNJF-FMCGGJTJSA-N 435.380 5.857 30 10 IKEE CC(C)(C)c1ccc(/C=N\n2cnnc2SCc2ccc(Br)cc2)cc1 526819934 PKLAMWNOBJWTMS-FMCGGJTJSA-N 429.387 5.513 30 10 IKEE C[C@@H]1CCCC[C@H]1N(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(Br)cc1 586127009 VYDAOBWLPJDUIP-IIBYNOLFSA-N 447.398 5.090 30 10 IKEE C=C(C)CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1cc(C)c(C)cc1OC 586214875 OTOIXSZOVJKWMW-UHFFFAOYSA-N 437.561 5.876 30 10 IKEE C=CCN(CC=C)C(=O)Nc1cccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1 586672972 JUYHIAIBECWISS-UHFFFAOYSA-N 441.531 5.724 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@H](C)CN(C(=O)OC(C)(C)C)C1 698485433 QZFDBFVIWDBAJL-BXKMTCNYSA-N 429.561 5.276 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(F)cc(Br)c1 698488208 BORAUAAKVGOXAX-QGZVFWFLSA-N 435.293 5.603 30 10 IKEE CC1(C)CSC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Br)C1 698488967 NFTBXACVCLMALZ-LJQANCHMSA-N 425.392 5.616 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1csc2ccccc12 698497219 LZMWTCMHVLLEHK-GOSISDBHSA-N 443.366 6.670 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 698955214 DUZMQGRUOVNVTO-WAIKUNEKSA-N 449.979 5.621 30 10 IKEE COc1ccc(Br)cc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(C)cc1 710779003 STSZNFIVJGIODV-GOSISDBHSA-N 431.330 5.773 30 10 IKEE C=CCOc1ccc(C=NNc2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)s2)cc1 1083931531 GROYNFKHNCHPAI-UHFFFAOYSA-N 445.975 7.141 30 10 IKEE COc1cc(C=Nc2ccc(O)cc2)ccc1OC(=O)c1sc2ccccc2c1Cl 1084373196 JOCSSSZHFPBWCB-UHFFFAOYSA-N 437.904 6.239 30 10 IKEE CC(C)(CSCc1ccc(F)cc1F)C(=O)NCc1c(F)c(F)c(F)c(F)c1F 1088699571 HCXSICOKMFHTPQ-UHFFFAOYSA-N 439.396 5.236 30 10 IKEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@H](C)CC(C)(C)C1 1301150392 RASYDPBXXAFJAC-QGZVFWFLSA-N 434.588 5.069 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccccc2OCc2ccc(C)cc2)SC1=Nc1cccnc1 1772731951 SMZBIRHHPNAROU-OFYGDPCRSA-N 441.556 5.759 30 10 IKEE CC(C)c1ccc(-c2nn(-c3ccccc3)cc2/C=N\NC(=S)Nc2ccccc2)cc1 1857810795 GCANDUGLIBRUKC-PKAZHMFMSA-N 439.588 5.983 30 10 IKEE N#Cc1ccc(COc2cccnc2NC(=O)Nc2ccccc2Oc2ccccc2)cc1 1858865462 FSGGTCXTNMJPSR-UHFFFAOYSA-N 436.471 5.969 30 10 IKEE CC(C)c1cc(C(=O)Nc2sc3c(c2C#N)CCC3)c2cccc(Br)c2n1 1859653610 WAWQGOHLCTUIFA-UHFFFAOYSA-N 440.366 5.795 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)Oc1ccc(C(C)C)cc1 1861674065 OOXWCOKZZRHRSK-RDGATRHJSA-N 444.660 5.825 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@@H]2c2cccc(F)c2)c1 1862431613 KTVLFELIXBPJBD-QHCPKHFHSA-N 449.909 5.874 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(C(F)(F)F)cc1 1862495862 WTUCMLKJTLTHRM-FOIQADDNSA-N 431.454 5.699 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(Cl)cc1 1862502472 ARLZZMIZBFZRDG-NRFANRHFSA-N 429.919 5.946 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2cccc(C)c2)cc1 1862507475 LZMGJLZACILYDL-XMMPIXPASA-N 429.491 5.529 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc2cc[nH]c2c1 1862546299 VCVFEQASRKSVEJ-GYCJOSAFSA-N 428.532 5.424 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccccc2Cl)cc1 1862554892 NJJFJLNXYYEZQR-JOCHJYFZSA-N 432.907 5.009 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2ccc(Cl)cc2)cc1 1862590954 CGWXZZPLJJFHQM-JOCHJYFZSA-N 433.891 5.133 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc2cc[nH]c2c1 1862614518 CWRUKKPDSAUDJK-DEOSSOPVSA-N 444.575 6.234 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862623830 QJOTUQUXJBLXIT-IBGZPJMESA-N 432.347 5.889 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccccc2F)cc1 1862663181 QKFSFDPTLGKMPP-QHCPKHFHSA-N 430.479 5.123 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2cccc(Cl)c2)cc1 1862689524 SNPKWQIOTWQJCW-GNSUPJDDSA-N 439.939 5.506 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(C)cc1 1862713164 ISLQULWVFRODLW-DEOSSOPVSA-N 429.516 5.153 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862718098 STPIRGBAVVDEFL-OSPHWJPCSA-N 429.516 5.615 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 1862736447 YGFQXPZLXLVSKX-QRQCRPRQSA-N 446.434 5.073 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(Cl)cc3)C2=O)cc1Cl 1862795365 JWYHABXKEXOVEP-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C)c(C)c2)=C(c2cc(C)ccc2C)C1=O 1863394166 HHWSMSBFXCVMSF-UHFFFAOYSA-N 432.608 6.473 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(OC)cc2)=C(c2ccc(F)c(C)c2)C1=O 1863455570 ZEMKHJQFMGLJPP-UHFFFAOYSA-N 438.543 5.695 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCOCC)=C(c2ccc(F)cc2)C1=O 1863507114 BDKFUTOLGLDIIR-UHFFFAOYSA-N 432.580 5.063 30 10 IKEE Cc1ccc([C@H](CC(=O)N[C@H](C(=O)Nc2cccc(C#N)c2)c2ccccc2)C(C)C)cc1 1866735411 HLVQUPRSMACIMF-VPUSJEBWSA-N 439.559 5.493 30 10 IKEE C=CCn1cc(OCCCCOc2ccc(C)cc2)c(=O)cc1CN1C[C@@H](C)C[C@H](C)C1 1870319263 DCZQKFCUOIUMDE-GOTSBHOMSA-N 438.612 5.059 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCC(C)C)c(=O)cc1CN(C)CCCC 1870423787 MPRLHFRCPZMYPH-UHFFFAOYSA-N 436.637 5.019 30 10 IKEE C=CCOc1cn(CCCCCCCCCC)c(CNc2ccc(C(C)C)cc2)cc1=O 1870812695 GWVGUFQESREZBS-UHFFFAOYSA-N 438.656 7.289 30 10 IKEE CCCCCCCCn1cc(OCCC)c(=O)cc1CNc1cccc(Br)c1 1871105046 DPYUEQCRYAUANJ-UHFFFAOYSA-N 449.433 6.372 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(cc3c(c2C)OCN(Cc2nc4ccccc4[nH]2)C3)C1=O 1871355279 BHBQNZVDZMOVLE-JMIUGGIZSA-N 443.528 5.210 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc(C)c2C1=O 1871372649 CSKYYEVZXZPDSR-FBHDLOMBSA-N 449.846 5.700 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)cc(C)c3C2=O)cc1 1871387871 CURYVTHMIQIUFY-OYKKKHCWSA-N 444.483 5.626 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(O[C@@H](C)C(=O)Nc3ccc(F)cc3)ccc2C1=O 1871400579 FQGXFSNPTBLCCL-SGMWPGOQSA-N 447.462 5.247 30 10 IKEE Cc1cc(O[C@@H](C)C(=O)OC(C)C)cc2c1C(=O)/C(=C/c1c(Cl)cccc1Cl)O2 1871401195 WEBQJGFABGGJJX-GJUHEBOISA-N 435.303 5.637 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871405592 CYQFKGZJPXEHBU-YPFLROGLSA-N 427.500 5.634 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(O[C@H](C)C(=O)Nc3cccc(C)c3C)ccc2C1=O 1871414320 SJUHRIDJVYVUNI-VYZAVGSRSA-N 433.529 5.696 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCCOc4ccc(C(C)(C)C)cc4)cc(C)c3C2=O)c1 1871414733 MIOAJCYXBJYJPH-ONUIUJJFSA-N 442.555 6.675 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(Cl)cc2)[nH]c(N2CCC[C@@H](C)C2)n1 1871523823 GLBWMGPFPZKBLC-GOSISDBHSA-N 431.028 5.699 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(Br)c3)n2)cc1OC 1872761386 MEHALBMUNCZNOO-OAHLLOKOSA-N 443.322 5.080 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccc(Cl)cc3)n2)cc1C 1872765410 OEXZQJMGNMPXPU-LJQANCHMSA-N 440.952 5.816 30 10 IKEE CCOc1ccc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC 1872766286 GHSGCMSSSJNBLP-GOSISDBHSA-N 440.952 5.680 30 10 IKEE Cc1cc(C)c(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccc(C(C)C)cc3)n2)c(C)c1 1872785887 BISGHJORCPDQSR-UGKGYDQZSA-N 432.589 6.503 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccccc3C(C)C)n2)cc1C 1872788050 VZVBQYWLVHFKTL-RXVVDRJESA-N 448.588 6.203 30 10 IKEE CCCCCCCCNC(=O)c1cccc(COc2ccc(C(=O)OC)cc2OC)c1 1872845651 YAMPSJXRHAFOGW-UHFFFAOYSA-N 427.541 5.151 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H]2CCCC[C@@H]2C)=C(c2ccccc2Cl)C1=O 1873031742 MHIAUDGLHQTQRW-RXVVDRJESA-N 431.020 5.949 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2[N+](=O)[O-])C(=O)N([C@@H]2CCCC[C@H]2C)C1=O 1873140106 QWEAFGDLNGWMAN-UYAOXDASSA-N 441.572 5.204 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccccc1C(C)C)n2Cc1ccccc1 1873612632 FTKGFRUXBASZLG-UHFFFAOYSA-N 425.536 5.453 30 10 IKEE CCCCCCCCCCNC(=O)CCc1c(C)c(C#N)c2[nH]c3ccccc3n2c1=O 1873936236 BZSRICSNCYHBGT-UHFFFAOYSA-N 434.584 5.150 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3cccc4c(O)cccc34)c(=O)oc2c1C 1873939561 KKXHPECYXPGMDJ-UHFFFAOYSA-N 443.499 5.405 30 10 IKEE CCCc1ccc(OCc2nnc(SC)n2/N=C/c2cccc(Br)c2)cc1 1874256426 ANOBARJGWSLUCB-LPYMAVHISA-N 445.386 5.176 30 10 IKEE C=C(C)CSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1cn(C)c2ccccc12 1874288164 QNJOXFFEPPVBEU-JVWAILMASA-N 449.668 6.784 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3F)n2/N=C/c2cccc(C)c2)cc1 1874373056 FPTMYZUIMSSISC-JVWAILMASA-N 430.552 5.799 30 10 IKEE Cc1cccc(CSc2nnc([C@H](C)c3ccccc3)n2/N=C/c2ccc(O)cc2)c1 1874394344 KHYWUZVTJJLYEO-DZTFFZQKSA-N 428.561 5.618 30 10 IKEE COc1cccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccccc2F)c1 1874402843 LOVZAIMPBKNWQX-WPWMEQJKSA-N 446.551 5.386 30 10 IKEE C=C(C)CSc1nnc(CC2CCCCC2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874407966 YNJHKKVAXALSOV-WSDLNYQXSA-N 433.965 5.513 30 10 IKEE C(=N/n1c(Cc2ccccc2)nnc1SCCc1ccccc1)\c1cccc2ccccc12 1874416697 CYLNLHYJMYORGH-XHLNEMQHSA-N 448.595 6.239 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2-c2ccccc2)cc1 1874428542 NVIFPYZIFJYOHR-MFKUBSTISA-N 434.952 5.782 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2[C@H]2CCCO2)cc1 1874450819 KDQPVLGBVHXPNW-LSCMLXDISA-N 442.972 5.356 30 10 IKEE CCCOc1ccc(/C=N/n2c(CCOC)nnc2SCc2ccc(Cl)cc2)cc1 1874473804 YGGLLICXBUMDIG-BUVRLJJBSA-N 444.988 5.084 30 10 IKEE CCSc1nnc(C2CCC2)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1874493090 VPTBOWXSSWVMOM-ZVHZXABRSA-N 426.973 5.772 30 10 IKEE COc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C(C)C)c(OC)c1 1874515112 QJPOECZWRPGZDE-BHGWPJFGSA-N 448.951 5.386 30 10 IKEE O=C(COc1ccccc1/C=C/C(=O)c1cccc(Br)c1)Nc1ccccc1 1874576159 ZMWWOFCDQVWDRV-BUHFOSPRSA-N 436.305 5.363 30 10 IKEE Cc1cc(C(=O)/C=C/c2cc(Br)ccc2OCc2ccccc2F)ccc1F 1874580221 CZVVMYRPLKMPOJ-JXMROGBWSA-N 443.287 6.511 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2ccccc2OCc2ccccc2Cl)cc1Cl 1874590699 RGXOXWZITMHACE-ZHACJKMWSA-N 447.745 7.131 30 10 IKEE Cc1ccccc1COc1ccc2ccccc2c1/C=C/C(=O)c1cc(Cl)ccc1Cl 1874591327 FJYQLWNXDANRSC-WYMLVPIESA-N 447.361 7.930 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)c1C 1874599311 GVPSDVPMHJMLDG-DHZHZOJOSA-N 439.382 7.702 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1 1874604389 JWWPBGLUHCZWIZ-UKTHLTGXSA-N 433.935 6.124 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(OC)c1OCc1ccccc1Cl 1874609307 JYMAVUQTWYWDFF-XNTDXEJSSA-N 448.946 6.561 30 10 IKEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 1874615712 MWIXUHWPBRACFX-XVNBXDOJSA-N 438.263 5.130 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)c1 1874619342 VSVICNOGPSNENL-UKTHLTGXSA-N 445.515 5.234 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 1874698578 DEUKEDYYJSYDCY-FMIVXFBMSA-N 437.835 5.372 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2cc(/C=C/C(=O)c3ccccc3)ccc2OC)cc1 1874700978 VUBBTISTCWTOPG-GHRIWEEISA-N 444.527 5.918 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OC(=O)COc1ccc(C)cc1C 1874710041 QAOACBNVXBUMGM-VZUCSPMQSA-N 434.463 5.332 30 10 IKEE CCc1ccccc1OCC(=O)Oc1cccc(/C=C/C(=O)c2cc(C)c(OC)cc2C)c1 1874717626 GFTNMOYRTPYMFZ-BUHFOSPRSA-N 444.527 5.755 30 10 IKEE CCCCCCCCC(=O)NCc1nn2c(Cc3cccc4ccccc34)nnc2s1 1874768909 IRCWFFPWBYTUCU-UHFFFAOYSA-N 435.597 5.297 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)CCCSC 1875082999 YJEASLHBBHARFF-MHWRWJLKSA-N 446.568 6.307 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 1875084913 GTGKLMBJKWXUDS-NTCAYCPXSA-N 445.471 5.564 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Cl)c(OC(=O)c2ccc(C)cc2)c(OC)c1 1875118404 VKDSHVYXLHPUKK-JLHYYAGUSA-N 436.891 5.781 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)c1cncc(C)c1 1875120320 OBIXUTZGENERQG-ZZXKWVIFSA-N 443.833 5.446 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)c3ccccc3)c(Cl)c2)cc1 1875137377 JGBQAHNMBUFFNW-RNYZQXAPSA-N 448.946 6.734 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(C)c3)cc2Cl)c1 1875141355 ABPMWIHZZACJIK-YRNVUSSQSA-N 438.882 6.302 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1875143494 CCKKAECMZSUUGA-XYOKQWHBSA-N 431.444 5.336 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1 1875150190 AYHYHCRHKRNORX-LFYBBSHMSA-N 434.875 5.503 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(Cl)c1OC(=O)C(F)(F)F 1875153572 NMOHGQGPNDMJAT-MDZDMXLPSA-N 434.797 5.866 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)c1ccccc1 1875183085 JSRHXKNIAHOZTH-VAWYXSNFSA-N 448.946 6.779 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc(OC)c1OC(=O)C(C)(C)C 1875190150 DLPGZJVYQDLWME-DHZHZOJOSA-N 447.358 6.578 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc(OC)c1OC(=O)C(C)(C)C 1875190595 WWRLCACTBCPENL-VAWYXSNFSA-N 436.548 5.897 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)c1cc(Cl)ccc1Cl 1875191413 LBNFWJPYIDETON-KPKJPENVSA-N 442.254 6.017 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N(C)CCCC)n2CCCOC 1875222229 ZFVUKXFZDNPWJG-UHFFFAOYSA-N 431.625 5.112 30 10 IKEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1ccccc1OCc1ccccc1 1891685277 JSFQUKMZIYAIOK-UHFFFAOYSA-N 439.433 5.097 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)c(F)c1 1895029834 OGVHSFJYRQQAKN-ROUUACIJSA-N 429.374 5.488 30 10 IKEE COc1cccc([C@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)c1Br 1927301447 FFJGFQSJHXBBIW-HNNXBMFYSA-N 437.359 5.521 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@](C#N)(N(C(=O)OC(C)(C)C)C3CCCCC3)[C@H]2C1 1944417935 IOXZSQALANNUTC-WVMBUTMQSA-N 433.593 5.095 30 10 IKEE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 1944892603 XRYHOSYFPXVUGR-MHECFPHRSA-N 435.609 5.486 30 10 IKEE CCC1(NC(=O)OC(C)(C)C)CC(C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C1 1947417053 GIJRIWJBPVZWNG-UHFFFAOYSA-N 449.979 5.811 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCC1)[C@]1(C#N)CCC(F)(F)C[C@H]1OCc1ccccc1 1998813832 JMHKCBAMQDVCEO-OFNKIYASSA-N 434.527 5.833 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@H](C2CCC2)C1 2018430700 YTLMTPIFNXDVFM-KDLAUNOPSA-N 435.609 5.484 30 10 IKEE C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2020299126 HECDECXCBBKPOJ-UUOWRZLLSA-N 429.561 5.357 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@]1(C#N)CCN(Cc2ccccc2)CC12CCC2 2037439866 YAPQMFGCQAPOSH-DEOSSOPVSA-N 438.576 5.262 30 10 IKEE C=CCN(CCC(=O)O)Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071319643 KURSWBRLEPOQGR-UHFFFAOYSA-N 431.532 5.307 30 10 IKEE CCc1ccc([C@H](C2CC2)n2nc(C(C)(C)C)c(C#N)c2I)cc1 2079115241 DSVGHALKIVVHAD-QGZVFWFLSA-N 433.337 5.219 30 10 IKEE Cc1cc(C)c([C@@H](n2nc(C(C)C)c(C#N)c2I)C2(C)CC2)cc1C 2079138886 MNBVSGCSQXZOBP-LJQANCHMSA-N 447.364 5.798 30 10 IKEE COC(=O)c1c(C(F)(F)F)nn([C@@H](c2ccc(C(F)(F)F)cc2F)C(C)C)c1Cl 2079956757 LFTQMGYODRJHMH-GFCCVEGCSA-N 446.750 5.745 30 10 IKEE COC(=O)c1c(C(F)(F)F)nn([C@H](c2ccc(C(F)(F)F)c(F)c2)C2CC2)c1Cl 2080054854 WPIKXYQNYKBMPG-LBPRGKRZSA-N 444.734 5.499 30 10 IKEE Cc1nn([C@@H](c2cc(F)ccc2C(F)(F)F)C2(C)CC2)c(Br)c1C=NO 2080106538 ZQNXRNLOJMMQNJ-AWEZNQCLSA-N 434.231 5.310 30 10 IKEE CC(C)c1cc(C(F)(F)F)ccc1-c1c(C2CCCCC2)nn2c(N)c(C#N)cnc12 2081523194 GZDMTRPRBLTUDE-UHFFFAOYSA-N 427.474 6.040 30 10 IKEE C=C(COCc1ccccc1)[C@H](NC)c1ccc(-c2ccccc2Br)s1 2107918270 GAWNAOXAWFWCGN-QFIPXVFZSA-N 428.395 6.211 30 10 IKEE Cc1nn(C)c(Cl)c1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2118714816 JICLZUGKQDJNSY-CQSZACIVSA-N 439.741 5.151 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCC[C@@]23C[C@@H](CO2)[C@@H]31 2144303165 NZBCEGXPCBSOLN-ITNCUTESSA-N 433.346 5.042 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCCN1c1ccc(C#N)cc1Br 2174813355 VFBNGYRSZBQCFF-OALUTQOASA-N 434.378 5.079 30 10 IKEE N#Cc1c(F)cc(Br)cc1NC[C@]12CCC[C@@H]1CCN2Cc1ccccc1 2197379127 YAWRWTIARLULNN-VGOFRKELSA-N 428.349 5.317 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)CCC[C@H](CC)NC(=O)OC(C)(C)C 2296227035 LIYONJBABDNIMP-PMACEKPBSA-N 437.422 5.252 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)C[C@@H](CC(C)C)NC(=O)OC(C)(C)C 2296300969 OYDCKZQZYKGHLN-VQTJNVASSA-N 437.422 5.108 30 10 IKEE COc1cc(OC)c(OC)cc1C=C1Oc2cc(OCC=Cc3ccccc3)ccc2C1=O 2296599748 OFJJUNUHELSILW-UHFFFAOYSA-N 444.483 5.421 30 10 IKEE CN(C)C(=O)Oc1ccc(C=C2SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc1 2297306750 VOQLMDVYDIFDIX-UHFFFAOYSA-N 443.528 5.556 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2308986532 PKJSPCOKTGOPMV-QHQBPXOVSA-N 445.535 5.153 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2Oc3ccc(C)cc3C2=O)cc1Cl 2314519535 RVIBQNMIKQSMIR-UHFFFAOYSA-N 442.902 6.126 30 10 IKEE O=C1C(=Cc2ccc(Br)cc2)SC(=Nc2nccs2)N1c1ccccc1 2314542802 OWIHDBLFCYHMGK-UHFFFAOYSA-N 442.363 5.714 30 10 IKEE Cc1csc(N=C2SC(=Cc3c(F)cccc3Cl)C(=O)N2C2CCCCC2)n1 2314543587 HZMCVYGBRRXAMC-UHFFFAOYSA-N 435.977 6.181 30 10 IKEE CCCCCCCCCOc1ccc(C=Nn2c(S)nnc2C2CCCC2)c(Cl)c1 2321928184 ZBDXDLZNHSLNMC-UHFFFAOYSA-N 449.064 6.889 30 10 IKEE COc1ccc(OC)c(C=C2Oc3c4c(cc(C)c3C2=O)OCN(C2CCCCCC2)C4)c1 2322079783 RFCVVAWYPFDKJR-UHFFFAOYSA-N 449.547 5.503 30 10 IKEE CCOCCCN1COc2c(cc3c(c2C)OC(=Cc2c(Cl)cccc2Cl)C3=O)C1 2322391563 PXVQGVCMNBZVEW-UHFFFAOYSA-N 448.346 5.497 30 10 IKEE COc1cc(Br)cc(C=CC(=O)c2ccc(Br)cc2)c1OC 2322427528 AGVGGGZZGFVOJV-UHFFFAOYSA-N 426.104 5.125 30 10 IKEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1ccccc1Cl)Nc1ccccc1 2322436933 MPFRGWNFYFEJGJ-UHFFFAOYSA-N 426.299 5.907 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)NCc2ccccc2)c1 2322617352 GTNGPNQEMCKZHG-UHFFFAOYSA-N 433.935 5.548 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1 2322856539 XUDWTQFHMYTMRG-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2ccccc2F)cc1Cl 2322981251 YRCVYGLDZSQOHQ-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1cccs1)C2=O)c1cc([N+](=O)[O-])ccc1Cl 2323231418 UTZQOVKRSSYCPW-UHFFFAOYSA-N 427.821 5.145 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OCc3cccc4ccccc34)c2)c2ccccc12 2323331515 LPFPVSYEUIPSNO-UHFFFAOYSA-N 444.530 7.477 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(CC)cc3)cc2Cl)cc1 2323465042 ZNDWCRLIIAELNT-UHFFFAOYSA-N 447.962 6.378 30 10 IKEE CCCOc1c(Cl)cc(C=Nn2c(Cc3ccccc3)nnc2SC)cc1OCC 2323581533 RAIQXVLIJMWIFY-UHFFFAOYSA-N 444.988 5.314 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OC(=O)c4ccc(OCC(C)C)cc4)c3C)C2=O)c1 2323641617 HUOQMRUCGPHRFG-UHFFFAOYSA-N 442.511 6.174 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)OC)c(Cl)c2)cc1OCCC 2323744893 NZOCQBQCSSFFBO-UHFFFAOYSA-N 446.927 5.366 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCc3nc(O)c4ccccc4n3)cc2)cc1 2323921388 XSDATKDEOYLWPO-UHFFFAOYSA-N 440.499 5.599 30 10 IKEE COc1cccc(C=C2Oc3c(CN(C)C4CCCCC4)c(O)cc(C)c3C2=O)c1OC 2324073521 FQVXYEXQQALCAU-UHFFFAOYSA-N 437.536 5.099 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2)cc1 2324155784 QNJBUZRUAUVLTC-UHFFFAOYSA-N 427.544 6.286 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(OC)c1OCCc1ccccc1 2324155851 CKCRHOSZABNWOR-UHFFFAOYSA-N 430.544 6.345 30 10 IKEE COc1c(Br)cc(C=CC(=O)c2ccc(C(C)C)cc2)cc1Br 2324158609 DVJRGMGBWWZMCV-UHFFFAOYSA-N 438.159 6.240 30 10 IKEE CCCNC(=O)COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1Br 2324162628 FZARQPIIXATUOP-UHFFFAOYSA-N 444.369 5.374 30 10 IKEE C=CCOc1c(Br)cc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OCC 2324171739 JDDAUOKKUZMXEN-UHFFFAOYSA-N 429.354 6.432 30 10 IKEE C=C(C)COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc1Br 2324220922 LFDHDTJGJLGJEG-UHFFFAOYSA-N 443.381 6.606 30 10 IKEE CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1ccc(C)o1)C2=O 2324331350 JJGBAYROSGUBCQ-QGZVFWFLSA-N 447.487 5.317 30 10 IKEE Cc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1cccc(Cl)c1)C2=O 2324406412 RJIZYSYNSPBIMW-MRXNPFEDSA-N 433.891 5.671 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(O[C@H](C)C(=O)Nc4ccccc4C)c3C)C2=O)c1 2324412610 AJNBIUBYEJDFGI-GOSISDBHSA-N 443.499 5.334 30 10 IKEE Cc1c(Cl)cccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1ccccc1)C2=O 2324430322 RRZURLXNVJXSQF-MRXNPFEDSA-N 433.891 5.671 30 10 IKEE Cc1cc(OCC(=O)N[C@@H](C)c2ccccc2)cc2c1C(=O)C(=Cc1cccc(F)c1)O2 2325019820 UUOMXVUYMHJIBO-KRWDZBQOSA-N 431.463 5.007 30 10 IKEE CCCOc1ccccc1C=Nn1c(CCC)nnc1SCc1c(F)cccc1Cl 2325571996 SQQCCOHKZDOAJR-UHFFFAOYSA-N 446.979 5.986 30 10 IKEE CCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1cc(Cl)c(O)c(OC)c1 2325610251 HMFFLXLAUMSSCW-UHFFFAOYSA-N 437.352 5.036 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(OC)c(OC)c3)c2)cc1C 2325714268 FMUOSXZIYQCCHS-UHFFFAOYSA-N 446.499 5.065 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1OC(=O)c1ccc(C(C)(C)C)cc1 2325727512 QTNBMDDWGKDKHI-UHFFFAOYSA-N 448.946 6.761 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1Cl 2325729062 WIUUZIJTSZOIMQ-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OC(=O)c1ccc(C)c([N+](=O)[O-])c1 2325741488 OJHQVULROYSBHL-UHFFFAOYSA-N 449.434 5.475 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(F)c(C)c3)c2)c(OC)c1 2325741843 CFDKTCJBCAUHJS-UHFFFAOYSA-N 434.463 5.196 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OC(=O)COc1ccccc1 2325750359 OSNIQJJJIQFXJJ-UHFFFAOYSA-N 430.500 5.699 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)Cc2ccccc2F)c1 2325763862 ICVTUKXWKYHVDD-UHFFFAOYSA-N 438.882 5.840 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc(Br)c1O 2325797314 QZEDHGGZGUDHLH-UHFFFAOYSA-N 446.124 5.765 30 10 IKEE COc1cc(C=Nn2c(C)nnc2SCc2ccccc2)ccc1OCc1ccccc1 2326211352 DEQJXGFBPOGHCY-UHFFFAOYSA-N 444.560 5.349 30 10 IKEE CCc1nnc(SCc2ccccc2)n1N=Cc1ccc(OC(=O)c2cccs2)cc1 2326218871 AVETYODYEJCZCD-UHFFFAOYSA-N 448.573 5.296 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccccc1Cl 2326545821 PYBSJOJJIYZITJ-UHFFFAOYSA-N 435.380 5.857 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(OC(C)C)cc1 2326570275 HDZZPFBUBZFGML-UHFFFAOYSA-N 446.979 5.985 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2C)n1N=Cc1ccc(OCC)cc1 2327112647 GBAUTLLWDINIAS-UHFFFAOYSA-N 436.581 5.157 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3C)n2N=Cc2ccco2)cc1C 2328774918 RQMAXHCWBOAOTB-UHFFFAOYSA-N 432.549 5.550 30 10 IKEE Cc1ccccc1C=Nn1c(CCOc2ccccc2)nnc1SCCc1ccccc1 2329200393 SYSDZTXHARNCPK-UHFFFAOYSA-N 442.588 5.425 30 10 IKEE C=C(C)CSc1nnc(COCc2ccccc2)n1N=Cc1ccc(C(F)(F)F)cc1 2329336697 NKPFWZSJHLGBGF-UHFFFAOYSA-N 446.498 5.564 30 10 IKEE C=C(C)CSc1nnc(CCc2cccs2)n1N=Cc1ccccc1OC(C)C 2329662315 XIOYICFGTNURBN-UHFFFAOYSA-N 426.611 5.462 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)cc2)n1N=Cc1ccc(C(F)(F)F)cc1 2329981406 VVMRRTMTIYFHAB-UHFFFAOYSA-N 430.499 5.747 30 10 IKEE Cc1ccccc1CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1ccccc1O 2330057450 XVFLIIUZFMPBAJ-IBGZPJMESA-N 428.561 5.618 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCCc2ccccc2)n1N=Cc1cccc(F)c1 2330111048 MRMVIFHMUVMIBK-LJQANCHMSA-N 430.552 5.786 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(SCc3ccccc3)nnc2-c2cccs2)cc1 2330582011 FKDVOISEDADSLF-UHFFFAOYSA-N 432.618 6.479 30 10 IKEE Clc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2-c2cccs2)cc1 2330599934 IRHQHJSCHQYAIP-UHFFFAOYSA-N 445.400 6.488 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 2330765162 PEWZYJBNGWUFJU-UHFFFAOYSA-N 445.471 5.671 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3ccccn3)c(OC)c2)cc1 2330826066 ODNYMOGJQXZWLB-UHFFFAOYSA-N 445.515 5.557 30 10 IKEE CN(C)c1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccccc2Cl)cc1 2330854514 BAELWOINHRJQRP-UHFFFAOYSA-N 442.032 5.761 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)cc1 2331051747 IPLVHMKDNYWGLK-FGZHOGPDSA-N 432.903 5.954 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)c1cncc(C)c1 2331122613 LFBYCQURIGCGCK-UHFFFAOYSA-N 437.879 5.176 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)Cc1ccc(C)c(C)c1 2331163197 IEIBAWRHQWOGNN-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3ccccn3)c(OC)c2)cc1 2331187775 RBUUOCXBRVYWCK-UHFFFAOYSA-N 437.879 5.258 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)Cc1ccccc1[N+](=O)[O-] 2331281654 AFYOHVRSCLXTMI-UHFFFAOYSA-N 445.471 5.346 30 10 IKEE C=C(C)CSc1nnc(C(C)(C)C)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2331394563 VGRYLQGBTXPRGT-UHFFFAOYSA-N 434.565 5.345 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2sccc2C)c(C)c1 2331415984 DIIZGJUYPRAOTC-UHFFFAOYSA-N 441.626 5.175 30 10 IKEE CC(C)Cc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(C(C)C)cc1 2331456679 RZCWSVPMNMAEFE-UHFFFAOYSA-N 427.017 6.428 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2Cl)c1 2331494194 JWJKZAKREXGOEB-UHFFFAOYSA-N 432.947 7.196 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(C3CCC3)n2N=Cc2cccc3ccccc23)cc1 2331503067 OTVOJEOHUUEAGB-UHFFFAOYSA-N 443.532 5.782 30 10 IKEE CN[C@@H](C#Cc1ccc(Br)cc1)c1ccc(NC(=O)OC(C)(C)C)cc1F 2361058471 INKAATKIFFFSJI-IBGZPJMESA-N 433.321 5.247 30 10 IKEE CCN(CC)c1ccc(/C=C2/CN(C)C/C(=C\c3ccc(N(CC)CC)cc3)C2=O)cc1 3205647 CSZGWTIIEDCAOM-ZFQRDYFNSA-N 431.624 5.361 30 10 IKEE CCOc1ccc(/C=C2\CCCC3=C2N/C(=N\C#N)N[C@H]3c2ccc(OCC)cc2)cc1 15906841 BEZXDBIQEFJLTC-YEZCMDQSSA-N 428.536 5.077 30 10 IKEE CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2sccc2C)C2=C(CCCC2=O)N1 27547689 NRPBZKZATKYGSE-FQEVSTJZSA-N 446.494 5.682 30 10 IKEE COc1ccc(N/C(=N/CCc2c[nH]c3ccccc23)NC(=O)CC2CCCCC2)cc1 32943155 FSYAWSZYTICOOL-UHFFFAOYSA-N 432.568 5.274 30 10 IKEE N#Cc1c(NC(=O)c2ccc(-c3ccccc3)cc2)sc2c1CCN(Cc1ccccc1)C2 33911197 WOTLNEFHIPYBKK-UHFFFAOYSA-N 449.579 6.097 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C(=O)/C=C/c3ccc(Cl)cc3Cl)cc2)c1 34954059 RBIHLXHNRLRMMI-XYOKQWHBSA-N 427.283 6.117 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(OC(=O)c3ccc(Br)cc3)cc2)c1 34954749 IWEORXLWHUSXMZ-LHHJGKSTSA-N 437.289 5.573 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc21 38707859 JIKBMIZBLUQJGS-UHFFFAOYSA-N 440.543 5.395 30 10 IKEE O=C1/C(=C\c2ccco2)S/C(=N/c2nc(-c3ccccc3)cs2)N1C1CCCCC1 39866028 YOOWHYVBFVAEBC-YJECAWTJSA-N 435.574 6.340 30 10 IKEE C=C(C)C(=O)NCCCCCc1nc2ccccc2n1CCCOc1ccccc1Cl 40219808 CSQNPKALERCXTL-UHFFFAOYSA-N 439.987 5.564 30 10 IKEE COc1cccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCCc2ccccc2)C4)c1 41646746 VIGSEWHTZUUSKD-XYGWBWBKSA-N 441.527 5.405 30 10 IKEE CCCCCCCCCCS[C@H](C(C)C)N(Cc1ccccc1)Cc1ccccc1 100000892 LCQDQCVCYQBKRY-MUUNZHRXSA-N 425.726 8.545 30 10 IKEE O=S(=O)(c1ccc(/N=C/c2ccccc2OCc2ccccc2)cc1)N1CCCCCC1 100037057 ZBNPSTUKPBQBBQ-NHFJDJAPSA-N 448.588 5.581 30 10 IKEE CCN1C(=O)C[C@H](C(=O)Nc2cccc(C)c2)S/C1=N\c1cc(Cl)cc(Cl)c1 100195532 REPJPDFNBRXXOV-BJUXRVGASA-N 436.364 5.282 30 10 IKEE O=C1/C(=C\c2ccc[nH]2)S/C(=N/c2nc(-c3ccccc3)cs2)N1c1ccccc1 101130741 FXZSKEMOQIHKGK-KJSLDKNGSA-N 428.542 5.947 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 169926137 DMHLVFIUSYXLFL-QFIPXVFZSA-N 444.874 5.003 30 10 IKEE CN1C(=S)N[C@@H](c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)C2=C1CCCC2=O 169936855 YPAKPJOEDAAKCV-NRFANRHFSA-N 447.387 5.441 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccc(O)cc2)c1 169965149 CPEGDVPBNUCRET-AREMUKBSSA-N 441.527 5.107 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2cccnc2)c1 170012832 FKMYFPOVHDHBPW-SANMLTNESA-N 448.522 5.630 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)c1 170062874 BKGRNIKVQQEODY-NRFANRHFSA-N 437.854 5.271 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)(C)C)cc2)[C@H]1c1ccco1 170090878 HQNKSXRFHRUJTH-QHCPKHFHSA-N 445.515 5.677 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2sccc2C)cc1C 170106199 FSCSUSMOIBREQO-QFIPXVFZSA-N 443.524 6.202 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(O)cc2)ccc1OC(C)C 170135720 CFDSZGFSIHYXOU-DEOSSOPVSA-N 449.547 5.399 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccc(C)c2)cc1 170142118 BOKDHYRYMQGIBP-RUZDIDTESA-N 441.527 5.875 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccs2)ccc1Cl 170162389 RSEAXEVJXDJZJS-IBGZPJMESA-N 443.908 5.172 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@@H]1c1ccc(O)c(Cl)c1 170219998 VNICBHIGAVOHAX-NRFANRHFSA-N 443.927 5.069 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccccc2)c1 170221466 XSEWJNFZIWMXRD-XMMPIXPASA-N 443.499 5.265 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1 170223277 QVUIIPFYDRYWTN-NRFANRHFSA-N 437.854 5.271 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccccc2)cc1 170228508 YSTCCYFSSJSDMP-XMMPIXPASA-N 438.483 5.128 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1cn(C)c2ccccc12 170269667 IHDATOLHWKGFNE-XMMPIXPASA-N 446.547 5.262 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccccc2C)cc1 170272822 WVFOBGKCMRRCGA-DEOSSOPVSA-N 438.483 5.048 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccc2C)cc1C 170273219 SFLAQLSZENWREB-RUZDIDTESA-N 441.527 5.793 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1Cc1ccncc1 170317214 OYHJFDNQPOXSMW-JOCHJYFZSA-N 440.524 5.383 30 10 IKEE COc1ccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2cccc(Cl)c2C)cc1OC 170434273 YGXXIJIIBACQFG-QFIPXVFZSA-N 443.927 5.181 30 10 IKEE COC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 170468077 YPRRWPDOXPOHTC-OAQYLSRUSA-N 449.547 5.286 30 10 IKEE CCCOc1ccccc1N1C(=O)C(O)=C(C(=O)C(C)C)[C@@H]1c1ccc(C(C)(C)C)cc1 170469820 UTUKRFVUDXDGNV-QHCPKHFHSA-N 435.564 5.898 30 10 IKEE CCCC(=O)Nc1nc(C)c(C#CC(C)(C)c2ccc(Cl)cc2)c(NC(=O)CCC)n1 197382257 HGKMMYSCAJNRDD-UHFFFAOYSA-N 440.975 5.245 30 10 IKEE Cc1ccc(NC(=O)C[C@H]2SC(=NN=C(/C=C/c3ccccc3)C3CC3)N=C2O)cc1 252617212 KOOIHWWTGDBETJ-VDCHJRJCSA-N 432.549 5.231 30 10 IKEE CCc1ccccc1N=C1S/C(=C/c2cccc(O)c2)C(=O)N1c1ccccc1CC 252623891 PBRJFQKUOYRTIB-DNKROPNVSA-N 428.557 6.326 30 10 IKEE Cc1[nH]c2ccccc2c1C=Nc1cccc2c(N=Cc3c(C)[nH]c4ccccc34)cccc12 254413644 ALKRRAUKSVTXTB-UHFFFAOYSA-N 440.550 7.920 30 10 IKEE S=c1[nH]nc(-c2ccccc2Br)n1N=Cc1ccc(-c2ccccc2)cc1 254821869 MXVRVSJUBMZXDA-UHFFFAOYSA-N 435.350 5.919 30 10 IKEE N#C[C@H](Nc1ccccc1Br)c1cc(Br)cc(Br)c1 394580130 TZUYLOJZBBZACZ-AWEZNQCLSA-N 444.952 5.651 30 10 IKEE Cc1c([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2C#N)c2ccccc2n1C 526607415 QGTQDAXIWWTLJL-RUZDIDTESA-N 437.474 5.555 30 10 IKEE CCc1nnc(SCc2cccc(C)c2)n1/N=C\c1ccc(OC(C)C)c(Cl)c1 526807660 ASUGJSZYFZGGKT-CFRMEGHHSA-N 428.989 5.764 30 10 IKEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1ccc(OC(C)C)cc1 526815326 YDQLENXOWPVYCC-KSEXSDGBSA-N 435.380 5.855 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1c(Cl)cccc1Cl 526819027 MALIKOYHSPNEOW-MSXFZWOLSA-N 433.408 6.329 30 10 IKEE CCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1cc(Cl)c(OC)c(OC)c1 526825193 NPZYZTFGNRILOH-MSXFZWOLSA-N 448.951 5.215 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@H](NC(=O)/C=C/c3ccc(F)cc3)C2)c1 586019106 ITVGZILXQUJBPK-ZHSJKAEUSA-N 449.570 5.098 30 10 IKEE CCCCCCCOC(=O)C1=C(C)N=C2Nc3ccccc3N2[C@@H]1c1ccc(OC)cc1 606630880 SLMRYZTWLRWTNB-XMMPIXPASA-N 433.552 5.826 30 10 IKEE C[C@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)CN1C(=O)OC(C)(C)C 698989422 MYSCQCCIUIUADE-QMHKHESXSA-N 449.979 5.763 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c1ccccc1)C2 709367637 ZYILNXAIAJTFQH-KDLAUNOPSA-N 427.545 5.110 30 10 IKEE C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)CCC[C@@](C)(O)CO)CC[C@@]23C)C[C@@H](O)C[C@@H]1O 725412709 BRKISPKRHSKJQO-VIQZXZQNSA-N 446.672 5.067 30 10 IKEE Cc1ccc(C)c(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2cc(O)cc(Cl)c2)c1 738013053 KNHIKVFVZLVHRX-UHFFFAOYSA-O 436.944 5.145 30 10 IKEE CCCCCCCN1C(=O)C[C@@H](C(=O)NCC)SC1=Nc1cccc(C(F)(F)F)c1 1084201078 PRIKMSTYLBZXPR-KRWDZBQOSA-N 443.535 5.134 30 10 IKEE Cc1cc(C)cc(N=C2NC(=O)/C(=C/c3cc(N=Nc4ccccc4)ccc3O)S2)c1 1084491083 QVOHRVXRGWUJJC-INDFUGSOSA-N 428.517 6.316 30 10 IKEE CCCCCCCCCNC(=O)[C@@H](C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1 1860269065 WTTVTPSDLYLRHX-HXUWFJFHSA-N 435.564 6.094 30 10 IKEE CCN(CC)c1ccc(NC(=O)C(=O)/C=C/c2cccc(OCc3ccccc3)c2)c(C)c1 1860729423 HDDWICGOCIGJKF-SAPNQHFASA-N 442.559 5.641 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(OC)cc1 1861363898 LOAIUJDMLVKUSX-VWLOTQADSA-N 438.612 5.293 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)COc1cc(C)c(Cl)c(C)c1 1861637541 UJNWGVXFQBSHKT-NRFANRHFSA-N 439.040 5.487 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)COc1c(C)ccc(C)c1C 1861661970 HQPDDBHJOOKAQN-DEOSSOPVSA-N 446.676 5.923 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(F)cc1F 1862478072 YGPAKRCHDMTIED-JOCHJYFZSA-N 443.490 5.058 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 1862479781 PUMYBPUOAAENPK-XMMPIXPASA-N 448.607 5.213 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862506768 UTFIVIHYKSBVFB-DEOSSOPVSA-N 445.490 5.311 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2ccc(OCC)cc2)cc1 1862519569 NEKWXKZALMFBBD-UZUQRXQVSA-N 437.536 5.251 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2ccc(Cl)cc2Cl)cc1 1862521667 NQORSVIZLWLLBE-HXUWFJFHSA-N 448.346 5.771 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(C(C)C)cc2)cc1 1862533253 HLIFDSIMQAVNNP-VWLOTQADSA-N 448.607 5.293 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccccc1 1862543865 QEPFQRZXBOAJMD-AOYPEHQESA-N 445.603 6.503 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCC(C)C)c1 1862618702 HNFIBXCSDAYZKH-DEOSSOPVSA-N 449.591 6.007 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccccc1[N+](=O)[O-] 1862619259 RDPLWKOAKMKWHT-YCRPNKLZSA-N 436.508 5.269 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(F)cc1F)c1cccc2ccccc12 1862651828 XPWXTXSXOJRKCP-QHCPKHFHSA-N 433.454 5.639 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc(F)c1 1862672318 AGNIYDJBAYRXLF-RBBKRZOGSA-N 427.491 5.902 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(C(F)(F)F)cc1 1862716437 GJCCDIJWUXOSNR-OAQYLSRUSA-N 439.433 5.845 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccc(Cl)c1 1862725810 SFZYWKXTFOXTST-OSPHWJPCSA-N 445.946 6.384 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccccc1C(=O)O 1862727049 VQDDZTBFMCBJMQ-QHCPKHFHSA-N 441.483 5.039 30 10 IKEE Cc1ccc(NC2=C(c3cccc4ccccc34)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1C 1862849406 NCRAGQZJEHQZJJ-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)c(F)c2)=C(c2cc(C)ccc2C)C1=O 1863403346 HGXASUZQLGNUTD-UHFFFAOYSA-N 440.534 6.134 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)c(F)c2)=C(c2ccccc2OC)C1=O 1863431238 FIJCOQQHBKYNJF-UHFFFAOYSA-N 442.506 5.526 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(Cl)cc2)C(=O)N(Cc2ccco2)C1=O 1863529254 OYALPBNIKAXMCG-UHFFFAOYSA-N 442.987 5.943 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCC(C)C)=C(c2ccc(C)c(C)c2)C1=O 1863607081 SLLYPHMUYXNNPX-UHFFFAOYSA-N 426.645 6.160 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(OC(C)C)cc2)C(=O)N(C2CC2)C1=O 1863694186 DOTDGTJHAJASQT-UHFFFAOYSA-N 426.601 5.446 30 10 IKEE N#Cc1cc(Br)c(NC(=O)c2cccc3ccccc23)c(Br)c1 1865997397 HHVCFAVFQVAMHE-UHFFFAOYSA-N 430.099 5.489 30 10 IKEE CCC[C@@H](NC(=O)C[C@@H](c1ccc(Cl)cc1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866759963 BDAVNJLZOFOGPT-FGZHOGPDSA-N 425.960 5.265 30 10 IKEE C=CCn1cc(OCc2c(C)cc(C)cc2C)c(=O)cc1CSc1ccc(Cl)cc1 1870242454 WEWYMSHAZIKOBL-UHFFFAOYSA-N 440.008 6.484 30 10 IKEE CCCCCCCOc1cn(CCCCN(CC)CC)c(CSC(C)(C)C)cc1=O 1870251347 DVNNKHVLXIZUOA-UHFFFAOYSA-N 438.722 6.351 30 10 IKEE CCCCCCCCCCn1cc(OCC(C)C)c(=O)cc1CN1C[C@@H](C)O[C@H](C)C1 1870437035 LGKIHKJWIGTZRS-DHIUTWEWSA-N 434.665 5.633 30 10 IKEE CCCCCCCCn1cc(OCC(=O)NCCCC)c(=O)cc1CN(CC)CCCC 1870517499 JVAQYQDRKDWGBU-UHFFFAOYSA-N 449.680 5.126 30 10 IKEE CCCCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CN1CCC(C)CC1 1870612163 PGYFLTIQUVTHCX-UHFFFAOYSA-N 430.677 6.566 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(F)cc2)cn1CCCCCCCC 1870625563 JTMDKVPBAWHUIR-UHFFFAOYSA-N 440.603 6.101 30 10 IKEE C=CCOc1cn(CCCOCCCC)c(CNc2cc(Cl)cc(Cl)c2)cc1=O 1870810789 RKVWITCURUIONN-UHFFFAOYSA-N 439.383 5.539 30 10 IKEE C=CCOc1cn(CCCCCCCC)c(CNc2ccc(OC)c(Cl)c2)cc1=O 1870811489 BWVTXWGJUOSEKG-UHFFFAOYSA-N 432.992 6.048 30 10 IKEE CCCCCCCOc1cn(CCCO)c(CNc2ccc(C(C)(C)C)cc2)cc1=O 1870837493 JGDYEAZKYCOPMX-UHFFFAOYSA-N 428.617 5.490 30 10 IKEE CCCCCCCOc1cn(CCCCCC)c(CNc2ccc(CC)cc2)cc1=O 1870839649 VDQZDXGUFHTVRK-UHFFFAOYSA-N 426.645 6.952 30 10 IKEE C=CCn1cc(OCC(C)C)c(=O)cc1CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1870855220 TUNMXOOPMNNCRX-UHFFFAOYSA-N 448.407 5.719 30 10 IKEE CCCCCCCCCCn1cc(OCC(C)C)c(=O)cc1CNc1ccc(Cl)cc1 1870858585 PIXACYMCQTYIPZ-UHFFFAOYSA-N 447.063 7.289 30 10 IKEE C=CCn1cc(OCCOc2ccccc2)c(=O)cc1CNc1ccc(C(F)(F)F)cc1 1871045974 IPNLTVVCRDXFNQ-UHFFFAOYSA-N 444.453 5.123 30 10 IKEE C=CCn1cc(OCCCOc2ccc(C)cc2)c(=O)cc1CNc1ccc(C)c(F)c1 1871216428 VBPKTVVUXCUQEQ-UHFFFAOYSA-N 436.527 5.250 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1c(F)cccc1Cl)C3=O)CN([C@@H]1CCCC[C@H]1C)CO2 1871355954 OLVGWSOABWHPCH-GESYFPDHSA-N 441.930 6.134 30 10 IKEE Cc1cc(OC(=O)c2c(F)cccc2Cl)cc2c1C(=O)/C(=C/c1ccc(Cl)cc1)O2 1871375521 PZSMTYKIMQIISK-GRSHGNNSSA-N 443.257 6.276 30 10 IKEE Cc1c(OC(=O)/C(Cl)=C/c2ccccc2)ccc2c1O/C(=C\c1ccc(F)cc1)C2=O 1871377478 MVRUXYPCPLUNAI-JPOLKSPQSA-N 434.850 5.936 30 10 IKEE C[C@H](Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O)C(=O)Nc1ccccc1Cl 1871405832 QMYGENKKDDVGSC-ZDXHCBJDSA-N 437.854 5.501 30 10 IKEE COC(=O)c1cccc(COc2ccc3c(c2C)O/C(=C\c2ccc(Cl)cc2)C3=O)c1 1871416021 HIQYFUVDBXVWIY-XKZIYDEJSA-N 434.875 5.630 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OCC(=O)Nc3c(C)cccc3C)c2C)C1=O 1871440509 SMRNBBLSRCPRMC-UCQKPKSFSA-N 427.500 5.554 30 10 IKEE C=CCN=c1nc(Nc2ccc(OCCCCCC)cc2)[nH]c(N(CC)CCCC)n1 1871610802 UBLMTNIBNWAXHJ-UHFFFAOYSA-N 426.609 5.221 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)c(C)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1871910778 MAPFKOCUVSNUTE-CYFREDJKSA-N 442.625 5.232 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cc(C)cc(C)c1)C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1871982699 KFSCXORHMHENQK-QFIPXVFZSA-N 449.016 5.187 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)c(C)c1 1871992046 DXGDRQIGPBLFAQ-DEOSSOPVSA-N 442.625 5.294 30 10 IKEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872305376 YVSAPWJHKYHHEQ-JOCHJYFZSA-N 449.016 5.249 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccccc1C(C)C)C(C)C)S(=O)(=O)c1ccccc1 1872439471 VBOBKANHVHVBBV-QHCPKHFHSA-N 428.598 5.040 30 10 IKEE C=CCN([C@H](CCC)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1872445060 VGQBOFGSPNUJMX-JOCHJYFZSA-N 449.016 5.448 30 10 IKEE COc1ccccc1-c1csc([C@H](C#N)C(=O)Cc2ccc(Br)cc2)n1 1872763819 WABKEAAIFFOEBU-MRXNPFEDSA-N 427.323 5.000 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(Cl)c(C)c3)n2)cc1 1872765718 VNQAGXHFGKMIIT-HXUWFJFHSA-N 438.980 6.370 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ccc(Cl)cc3)n2)c(OC)c1 1872783964 MEFLTGUBVXWOGL-GOSISDBHSA-N 426.925 5.290 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(C(C)C)cc3)n2)cc1Cl 1872786015 YVPAHSVQJIUHHR-ZAOIQFLMSA-N 436.964 6.485 30 10 IKEE N#Cc1cccc(NC(=O)c2ccc3nc(COc4ccc(Cl)cc4Cl)[nH]c3c2)c1 1872804746 IULGVYYJDOQFTL-UHFFFAOYSA-N 437.286 5.573 30 10 IKEE C=CCc1ccccc1OCc1cccc(C(=O)N2CCN(c3cccc(C)c3)CC2)c1 1872846823 ULZHOBWGMPGDGE-UHFFFAOYSA-N 426.560 5.265 30 10 IKEE CCCCOC(=O)c1ccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1 1872847266 CBIZKJXCKWIKNY-UHFFFAOYSA-N 428.488 5.346 30 10 IKEE O=C(N[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1873465828 VHSTWEFOCRQRAD-HUUCEWRRSA-N 441.293 6.029 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](C)Oc1cc(C)cc2oc(=O)c3c(c12)CCC3 1873937104 YNVDBGKHZJMREE-LJQANCHMSA-N 427.585 5.614 30 10 IKEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3cc(Cl)cc(Cl)c3)c(=O)oc2c1 1873945259 NRWMNQNJNFWMTD-UHFFFAOYSA-N 446.330 5.934 30 10 IKEE CCSc1nnc(CCCOc2ccc(OC)cc2)n1/N=C/c1c(F)cccc1Cl 1874221669 XOXPPFUBPWPGKH-ZVHZXABRSA-N 448.951 5.085 30 10 IKEE CSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1ccc(C(F)(F)F)cc1 1874225233 ZXNPQSOUUHUQHY-VULFUBBASA-N 448.514 5.529 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1cccc(Cl)c1 1874249472 AACFQFDXHQHYEM-LFVJCYFKSA-N 428.989 5.636 30 10 IKEE CCCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874284650 QXYQPFGWZLWPRG-HYARGMPZSA-N 429.933 5.009 30 10 IKEE CCCCC1CCC(c2nnc(SCCCO)n2/N=C/c2ccccc2Cl)CC1 1874286834 ZVEBEEMMYUBRGL-LFVJCYFKSA-N 435.037 5.752 30 10 IKEE CCCSc1nnc(COc2c(C)cccc2C)n1/N=C/c1ccc(Cl)cc1Cl 1874300057 GGTZSNQDTGNGAL-WYMPLXKRSA-N 449.407 6.165 30 10 IKEE COc1ccccc1CCc1nnc(SCc2cccc(C)c2)n1/N=C/c1ccco1 1874312949 VNINTDHHUJHKNC-PCLIKHOPSA-N 432.549 5.148 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2)n1/N=C/c1ccccc1Cl 1874315968 UUYAHVNVIOACLO-BUVRLJJBSA-N 426.973 5.494 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2cccnc2)cc1C 1874320517 VLWRBKSGPQZWTD-CVKSISIWSA-N 429.549 5.043 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SC)nnc2-c2ccccc2Cl)cc1OC 1874364962 DHDRTHKVOBAEHA-OEAKJJBVSA-N 430.961 5.390 30 10 IKEE CCc1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2)cc1 1874379939 UGDDVMSUZRTRQY-WPWMEQJKSA-N 430.552 5.745 30 10 IKEE Fc1ccc(CSc2nnc(C(F)(F)F)n2/N=C/c2c(Cl)cccc2Cl)cc1 1874459668 ZOGHYGJMHKBHIK-KTZMUZOWSA-N 449.260 5.917 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1/N=C/c1ccc(Br)cc1 1874476800 YIJQXFAZTUYLRH-HYARGMPZSA-N 429.387 5.558 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1/N=C/c1sccc1C 1874477907 OMVTZODREIMAHP-YDZHTSKRSA-N 441.626 5.220 30 10 IKEE Cc1cccc(CSc2nnc(C3CC3)n2/N=C/c2cc(Br)ccc2O)c1 1874516442 XNCXZCQSLUZGMP-SSDVNMTOSA-N 443.370 5.107 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C/C(=O)c2ccccc2OC)cc1 1874576855 JGHUBPWGPCPOOL-GXDHUFHOSA-N 449.934 5.825 30 10 IKEE COc1ccccc1C(=O)/C=C/c1c(OCC(=O)NC2CCCCC2)ccc2ccccc12 1874576891 LIZUJYAJCVMJMH-WUKNDPDISA-N 443.543 5.572 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1 1874578123 XOCRNYYWSSPGBK-WUKNDPDISA-N 426.487 6.853 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2C)c1 1874580715 CLCQZIIAVOZLCB-JLHYYAGUSA-N 445.515 5.234 30 10 IKEE O=C(/C=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12)c1cccc2ccccc12 1874583396 LIGAKWWZXGFRIZ-ISLYRVAYSA-N 432.494 7.607 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OCC(=O)Nc1cccc(C)c1 1874597609 VXEMSOWLNMMTNF-RIYZIHGNSA-N 443.543 6.041 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OCC(=O)OCCC 1874604186 ZMSTZMKWHJPTPD-SDNWHVSQSA-N 448.559 5.531 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Br)c2)ccc1OCc1ccccc1C 1874610628 BYOUMVOKOUQPLE-ZRDIBKRKSA-N 437.333 6.241 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OCc1cccc(Cl)c1 1874618347 VWMDQOUNKDPAPG-ZHACJKMWSA-N 436.935 6.449 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cc(OC)c(OCc3ccccc3C)c(OC)c2)c1 1874619265 RUZVENFFEBDREP-ZRDIBKRKSA-N 448.515 5.505 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(C)cc3)c(Cl)c2)cc1Cl 1874636186 OAIOZDXOFMXFDF-JXMROGBWSA-N 427.327 6.786 30 10 IKEE Cc1ccccc1COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1Cl 1874637477 BEWIOEDJXLWETE-UXBLZVDNSA-N 431.746 7.430 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)c1)c1cccc([N+](=O)[O-])c1 1874692343 BDNZRYHIWMHPGW-LVIAPQIJSA-N 447.874 5.853 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1cccc(/C=C/C(=O)c2ccc(Br)cc2)c1 1874697359 TXKOCHNPIQVSRZ-AWNIVKPZSA-N 439.280 5.632 30 10 IKEE Cn1c(C(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)c2)cc2ccccc21 1874705994 KIIDVTOVQAAVJN-PKNBQFBNSA-N 439.467 5.065 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2cccc(OC(=O)c3cccc(F)c3)c2)cc1Cl 1874716941 QMHSPBABCXBHDU-CMDGGOBGSA-N 445.273 6.256 30 10 IKEE O=C(CCCOc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1 1875094755 HTKJWSKDIHDCSM-XMHGGMMESA-N 436.507 6.501 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3cnc(C)cn3)c(OC)c2)cc1 1875103502 BWWUQNBQLBUDGN-JXMROGBWSA-N 436.895 5.125 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1)c1ccc(Cl)c(Cl)c1 1875111949 UDWUGZLDTZEFSK-KPKJPENVSA-N 431.702 6.762 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1Cl 1875121605 XZRLFLOYPMCIQB-PKNBQFBNSA-N 427.283 6.117 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3ccco3)c(OCC)c2)cc1 1875130022 FZKXDIHPLXFSAM-KPKJPENVSA-N 440.879 5.846 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(OCC)c3)c(OC)c2)cc1 1875131337 RZHZKMPQAWZOGB-OQLLNIDSSA-N 446.499 5.608 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccccc1C 1875132150 HXYVKQZVKGQDPG-YRNVUSSQSA-N 441.310 6.426 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1ccc(F)cc1 1875136192 BOIYAHUIJNUGNO-OVCLIPMQSA-N 430.475 5.987 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1ccc(C)cc1 1875170128 IWXBHJUEWCMPOJ-UKTHLTGXSA-N 428.528 6.353 30 10 IKEE CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 1912177439 DYLOBGUKOGMKTO-IRXDYDNUSA-N 438.573 5.003 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CC[C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C1 2001949391 GBXZDSHUUMTQGV-UAKAABGRSA-N 435.609 5.484 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C)NCCC 2022686785 IUKUFQURKIJSHW-LEWJYISDSA-N 438.559 5.162 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CC[C@H](CCNC(=O)OC(C)(C)C)C1 2037231030 IPHCWQRZWWNKLD-CLOONOSVSA-N 443.588 5.714 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C1 2041560869 VWMOGYJRNRFMMY-MZNJEOGPSA-N 447.551 5.497 30 10 IKEE Cc1cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)sc1Cl 2046768521 LRSLRJKUBFVBON-AWEZNQCLSA-N 441.778 6.479 30 10 IKEE C#CCCCC[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCC 2053262501 WKZFGNFANXTMSC-DEOSSOPVSA-N 441.660 5.108 30 10 IKEE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)[C@@H]2C[C@H](C(C)(C)C)CC[C@H]2C#N)C1 2055651679 UZMJORCYUXFDNZ-QZNHQXDQSA-N 441.616 5.394 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)[C@@H]1C(C)(C)C 2067838529 NDJANCDKYAEDIX-UQBPGWFLSA-N 443.588 5.746 30 10 IKEE Cc1ccc([C@@H](C(C)C)n2nc(C(C)C)c(/C=N/O)c2I)c(F)c1 2079052094 QMDKIUKGBRHJDZ-JDYBYSMLSA-N 443.304 5.112 30 10 IKEE Fc1cc(Cn2nc(Cl)c(Br)c2C(F)(F)F)ccc1C(F)(F)F 2079214957 SZXLLFWSJYOVMH-UHFFFAOYSA-N 425.529 5.524 30 10 IKEE CC1([C@H](c2ccc(C(F)(F)F)cc2F)n2nc(C(F)(F)F)c(C(N)=O)c2Cl)CC1 2079971840 MLGWRVYITNWGKW-LBPRGKRZSA-N 443.750 5.202 30 10 IKEE CC(C)c1ccc([C@@H](n2nc(C(F)(F)F)c(C#N)c2Br)C(C)(C)C)cc1 2079982855 YMYZUISOIAMFJK-MRXNPFEDSA-N 428.296 6.295 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1nc(C2CC2)cs1 2093263192 NFVIZNDEUZTLIC-MRXNPFEDSA-N 434.359 5.789 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)C[C@@H]2CCCC[C@]2(C)C1 2154236929 YFUPERFSTXUUCB-KNXBSLHKSA-N 433.390 6.443 30 10 IKEE CN(CC[C@@H]1CCCCN1c1ccc(C#N)c(Br)c1F)C(=O)OC(C)(C)C 2174808621 QGEVIIIJUQFSIF-HNNXBMFYSA-N 440.357 5.076 30 10 IKEE CC(C)(C)CN(CCC#N)C(=O)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2181048374 SDNLVTDMJIPSNY-UHFFFAOYSA-N 438.366 5.198 30 10 IKEE CN(c1ccc(C#N)c(Br)c1F)[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 2190462351 UOSRQHXPZFHSMK-HLNWXESRSA-N 429.333 5.280 30 10 IKEE Cc1sc([C@@H](C#N)N(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)c(Br)c1C 2221773647 GXNVRMIFQIOFRN-UONOGXRCSA-N 429.380 5.108 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCCC)c2ccc(Br)cc2Cl)C1 2230392794 UGHROWDLVPRGGZ-QGZVFWFLSA-N 443.813 5.757 30 10 IKEE CCN[C@@H](C#Cc1ccc(Cl)cc1)c1cc(Br)c(Br)s1 2239463529 NXDFKOCRURRICJ-ZDUSSCGKSA-N 433.596 5.629 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1C[C@@H]2C[C@H](C1)CN(C(=O)OC(C)(C)C)C2 2258605982 XNLKXJMIPMCEKE-ZFFYZDHPSA-N 442.644 5.411 30 10 IKEE CC1(C)OB(c2ccc(NC(=O)N(Cc3ccccc3)C3CCCCC3)cc2)OC1(C)C 2267637588 LNDHWXVGXOBLRG-UHFFFAOYSA-N 434.389 5.353 30 10 IKEE C=C(COCc1ccccc1)[C@@](C)(OCC(=O)O)c1ccc(Br)cc1Cl 2275130310 SASWICKKFAPPEF-HXUWFJFHSA-N 439.733 5.192 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCC)c2cc(OC)c(Br)s2)C1 2278282071 OIRKSWCEPHYBTH-HNNXBMFYSA-N 445.423 5.031 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCCN1c1c(Br)cccc1C#N 2285220769 NPDOXZBMHAKDQG-MSOLQXFVSA-N 434.378 5.079 30 10 IKEE CCCCN1C(=O)C(=C2Sc3ccccc3N2CC)SC1=Nc1ccc(C)cc1O 2295201853 ICCMDCIAIFKJMN-UHFFFAOYSA-N 439.606 5.865 30 10 IKEE N#Cc1c(-c2ccc(Cl)cc2)cc(-c2cccs2)nc1SCC=Cc1ccccc1 2296652648 RFQOJYVERUCWIM-UHFFFAOYSA-N 445.012 7.808 30 10 IKEE CN(C)c1ccc(C=CC2=CC(=C3C(=O)c4ccccc4C3=O)C=C(c3ccccc3)O2)cc1 2296911603 JTIXVXBDINYAGE-UHFFFAOYSA-N 445.518 6.097 30 10 IKEE CCCN[C@@H](C#C[C@H](OC)C1CCCC1)CN(Cc1ccccc1)C(=O)OC(C)(C)C 2303640078 ISVFKTVXBNGRHU-ZEQRLZLVSA-N 428.617 5.001 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc4c3CN(Cc3ccc(C)cc3)CO4)C2=O)cc1 2321958524 BMUNTTSCHCXIMI-UHFFFAOYSA-N 427.500 5.362 30 10 IKEE CCCCCOc1ccc(C=Nn2c(S)nnc2Cc2cccc3ccccc23)cc1 2322131504 WCFIEJJIULAHMB-UHFFFAOYSA-N 430.577 5.762 30 10 IKEE Cc1ccc(OCc2nnc(S)n2N=Cc2ccccc2OC(C)C)c(C(C)(C)C)c1 2322260420 SGRVNVDNTKKXJI-UHFFFAOYSA-N 438.597 5.421 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccccc1F)C3=O)CN(CCc1ccc(F)cc1)CO2 2322286702 LZPRWPSTOMPEHL-UHFFFAOYSA-N 433.454 5.284 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1cccc(F)c1)C3=O)CN(CCCCc1ccccc1)CO2 2322442874 CAWKPNMYAJSXBE-UHFFFAOYSA-N 443.518 5.925 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc(Cl)cc2)c1OCc1cccc(Cl)c1 2322528632 JOWYDAWRJSCXGS-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE Cc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(Cl)c(Cl)c2)C3=O)cc1 2322680943 GNDXJQRTBYHDFC-UHFFFAOYSA-N 439.294 6.446 30 10 IKEE O=C(C=Cc1c(OCc2cccc(Cl)c2)ccc2ccccc12)c1ccc2c(c1)OCO2 2322698735 CFTOSBZJJBDEPO-UHFFFAOYSA-N 442.898 6.697 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1F 2322708582 ACIRVANCJDFJML-UHFFFAOYSA-N 441.842 5.871 30 10 IKEE Cc1ccc(COc2ccc(Br)cc2C=CC(=O)c2ccc(F)c(F)c2)cc1 2322779846 SRUUVWHAGRHKDO-UHFFFAOYSA-N 443.287 6.511 30 10 IKEE CCCOC(=O)COc1ccc2ccccc2c1C=CC(=O)c1c(C)c(C)cc(C)c1C 2322840700 VMNRBHIYZNSIIM-UHFFFAOYSA-N 430.544 6.302 30 10 IKEE Cc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2c(Cl)cccc2Cl)C3=O)c1 2322877943 XZEOZXJUSNTPGQ-UHFFFAOYSA-N 425.267 6.137 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCc2ccccc2)cc1Cl 2322975158 PHVCSDGTBJYKKS-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1OCc1ccccc1Cl 2323247749 JDDNYJIAOULVSU-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OC(=O)C=Cc3ccc(Cl)cc3)c2C)C1=O 2323327609 BVYIFHVDUARWJK-UHFFFAOYSA-N 430.887 6.192 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(OC)c(OCCc3ccccc3)c(OC)c2)cc1 2323536674 XIUTXUPTYIKICV-UHFFFAOYSA-N 444.571 6.564 30 10 IKEE Cc1c(OC(=O)C(C)(C)Oc2ccc(Cl)cc2)ccc2c1OC(=Cc1ccco1)C2=O 2323708345 WDPQVUOWRXITKW-UHFFFAOYSA-N 438.863 5.621 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Cl)cc1 2323895685 OTHSTVBCQIHNIF-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)cc1 2323921465 YDXVEIAZLBIBNX-UHFFFAOYSA-N 443.543 6.006 30 10 IKEE Cc1cc(O)c(CN2CCCC[C@H]2C)c2c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O2 2324010316 DPJBGBSSXZDKRG-CQSZACIVSA-N 432.347 5.998 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1 2324055326 UTRIKQICHIMSBV-UHFFFAOYSA-N 441.571 6.515 30 10 IKEE CC1(C)C[C@H]2C[C@@](C)(CN2Cc2c(O)ccc3c2OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)C1 2324097571 VOUXNXQJHWUGBN-HFJWLAOPSA-N 448.519 5.317 30 10 IKEE Cc1cccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4cc(C)ccc4C)cc(C)c3C2=O)c1 2324456140 CCKLQPOSFHJBGT-HXUWFJFHSA-N 441.527 5.942 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(OCCCOc4ccc(C)cc4)c3C)C2=O)cc1 2324545364 YPLUQMNDFDCSIA-UHFFFAOYSA-N 430.500 5.776 30 10 IKEE Cc1cccc(OCCCCOc2ccc3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)c1 2324570230 GPZHONRTPJKFAW-UHFFFAOYSA-N 442.555 6.973 30 10 IKEE Cc1c(O[C@H](C)C(=O)Nc2ccc(Cl)cc2)ccc2c1OC(=Cc1ccccc1)C2=O 2324611755 VKIQYRVRPYRUFO-MRXNPFEDSA-N 433.891 5.671 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 2324693566 NUPKKTRYISKTMH-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE COc1ccc(OCCCOc2cc(C)c3c(c2)OC(=Cc2ccc(C)cc2)C3=O)cc1 2324705814 SXHIRDGOYUIIOL-UHFFFAOYSA-N 430.500 5.776 30 10 IKEE COc1ccc(C=C2Oc3cc(OCc4cc(C)c(C)cc4C)cc(C)c3C2=O)cc1OC 2324765238 VACHGSSLYFFLOD-UHFFFAOYSA-N 444.527 6.133 30 10 IKEE O=C1C(=Cc2ccc(Cl)c(Cl)c2)Oc2cc(OCCOc3ccccc3F)ccc21 2324851284 HBXVIIWTCOLSJQ-UHFFFAOYSA-N 445.273 6.207 30 10 IKEE CCc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2cccc(C)c2)cc1 2325441620 QLRSNVXLAQYRBI-UHFFFAOYSA-N 440.616 6.109 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(Br)cc1 2325511707 OPPTWXSTOYXRIE-UHFFFAOYSA-N 447.377 5.697 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(OCC)c(OC)c1 2325566629 BSENOJGJWJWXRG-UHFFFAOYSA-N 444.988 5.466 30 10 IKEE CCOc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c(C)c3)c2)cc1 2325715160 JDAPOIHJFAKCJG-UHFFFAOYSA-N 446.499 5.283 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1OC(=O)c1cccc([N+](=O)[O-])c1 2325727682 WLPXVQIGTYOGMR-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(C(F)(F)F)cc2)c1)c1cccc(Cl)c1 2325728861 QPVBCEXPIKNEJZ-UHFFFAOYSA-N 430.809 6.474 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1OC(=O)c1ccc(C)cc1 2325745865 UMGAWLRCQQAKGT-UHFFFAOYSA-N 428.528 6.416 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2cccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 2325746379 RYEVMVIYRBCTBX-UHFFFAOYSA-N 444.527 6.117 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OC(=O)c1ccccc1[N+](=O)[O-] 2325760072 ZTFKSOLIAJFQFB-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Br)cc2)cc(Br)c1O 2325791161 ACSCFXKELGJCHT-UHFFFAOYSA-N 426.104 5.212 30 10 IKEE CCOc1c(Cl)cc(C=Nn2c(C)nnc2SCc2ccc(C)cc2C)cc1Cl 2326433283 WJMODPIKWDHQME-UHFFFAOYSA-N 449.407 6.083 30 10 IKEE CCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1cc(Cl)c(O)c(Cl)c1 2326442547 WOPTZUGJZVNEQY-UHFFFAOYSA-N 435.380 5.644 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2C)n1N=Cc1ccc(Cl)cc1 2327118005 ZSIAAYOERJBWDW-UHFFFAOYSA-N 428.989 5.636 30 10 IKEE C=CCSc1nnc(COc2ccccc2Cl)n1N=Cc1cccc2ccccc12 2327674391 VKFSTHQXIDPWFO-UHFFFAOYSA-N 434.952 5.824 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2ccccc2F)n1N=Cc1ccccn1 2328557165 CZWOYRCQQALJND-UHFFFAOYSA-N 447.539 5.183 30 10 IKEE Cc1ccc(C=Nn2c(CCCOc3ccccc3)nnc2SCc2ccccc2)cc1 2328744997 SILOBVXLDHRIJX-UHFFFAOYSA-N 442.588 5.773 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccc(N(C)C)cc2)c1 2330469899 XAQQZPXEKUMJPB-UHFFFAOYSA-N 441.604 5.418 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(SCc2ccccc2)nnc1-c1cccs1 2330582039 IZVAYZCKMRMQGE-UHFFFAOYSA-N 434.590 5.968 30 10 IKEE Cc1ccc(C=Nn2c(SCC(=O)Nc3ccc(F)cc3)nnc2-c2ccccc2)cc1 2330642671 CWMVCBPFKDQHTR-UHFFFAOYSA-N 445.523 5.006 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3cccc(C)c3)nnc2-c2ccccc2)c1 2330645871 KYBKZJSDVMKLOL-UHFFFAOYSA-N 428.561 5.827 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC(C)C)NC(=O)C=Cc1ccccc1[N+](=O)[O-] 2330662058 KJDHPJKXKZEYEE-QFIPXVFZSA-N 445.604 5.396 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)[C@@H](C)c1ccccc1 2330705289 UOVUAVLPQRSIOL-FQEVSTJZSA-N 440.539 6.179 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3sccc3C)c(OC)c2)c1 2330777943 QRIPEWIIILFLJX-UHFFFAOYSA-N 438.501 5.198 30 10 IKEE Cc1ccccc1C=Nn1c(CC(C)(C)C)nnc1SCC(=O)N[C@H](C)c1ccccc1 2330874631 LDERQHRWKGAUTE-LJQANCHMSA-N 449.624 5.027 30 10 IKEE O=C(CCOc1ccccc1)Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1Cl 2331090875 UKFKYVVFWNWBCF-UHFFFAOYSA-N 442.845 5.889 30 10 IKEE CCCCCCOc1ccc(C=Nn2c(SCC)nnc2C(F)(F)F)cc1OC 2331129634 WEEAKOASBGFQKI-UHFFFAOYSA-N 430.496 5.259 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccc(C)cc3)nnc2-c2ccco2)c1OC 2331167690 JRWDQTIGMGGJNF-UHFFFAOYSA-N 434.521 5.038 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)C3CCCC3)c(Br)c2)c(C)c1 2331224644 YBDVVXRFBZLKQL-UHFFFAOYSA-N 427.338 6.058 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)C(F)(F)F)c(OC)c2)cc1 2331293754 YHUMBHCKMJPKOQ-UHFFFAOYSA-N 442.817 5.501 30 10 IKEE COCCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1cccc(C)c1 2331307115 HQYIATWLLIUEMT-UHFFFAOYSA-N 435.380 5.257 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)CC(C)(C)C 2331341454 CFIGMKXLPJMFON-UHFFFAOYSA-N 432.919 6.424 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2C(C)(C)C)cc1OC 2331385194 IIEGZCRUSOIGIB-UHFFFAOYSA-N 442.560 5.297 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1ccc(OC)cc1 2331503104 SLKLKALAALWTCE-UHFFFAOYSA-N 444.527 6.333 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)Cc1ccccc1 2331653473 LAMONMIKRAWTCH-UHFFFAOYSA-N 442.555 6.363 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)c1cccs1 2331704522 XPMUHFXAIVORTH-UHFFFAOYSA-N 426.921 6.142 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1ccc(F)c(F)c1 2331780265 OYGFDCKJIFPUMY-UHFFFAOYSA-N 436.454 6.014 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)c(OC)cc2C)ccc1OC(=O)c1cccnc1 2331852011 UYHBFCVRUWATKN-UHFFFAOYSA-N 431.488 5.221 30 10 IKEE CC(C)[C@H](Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)[C@@H](C)NC(=O)OC(C)(C)C 2339580917 HDJFFCJJVHBGAZ-XFYBZPILSA-N 446.397 5.043 30 10 IKEE CC(C)(CCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)CNC(=O)OC(C)(C)C 2339597180 OUIFRJXXRNFELI-WYMLVPIESA-N 446.397 5.046 30 10 IKEE CC1(C)OB(C=Cc2ccc(N[C@H]3C[C@@H]4C[C@H](OCc5ccccc5)C[C@H]34)nc2)OC1(C)C 2365108910 XFXYPNYSXUYUEV-ZJZGAYNASA-N 446.400 5.522 30 10 IKEE Cc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3cc(C)on3)c2C#N)cc1 9781320 LGCKLTBPPPNSKH-UHFFFAOYSA-N 440.528 5.623 30 10 IKEE COCCN1C(=O)/C(=C\c2ccc(Br)cc2)S/C1=N/c1ccc(C)cc1 12660470 BNHNQJQYYIGJPI-OUUNKBNMSA-N 431.355 5.008 30 10 IKEE C=CCn1c(C)nnc1SCC(=O)Nc1ccccc1SCc1ccc(Cl)cc1 20425275 OCBATUADOKRTNI-UHFFFAOYSA-N 445.013 5.449 30 10 IKEE CCCCOc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1cccs1)C2 20885118 ARJJYDSFMWYUBJ-CLYVBNDRSA-N 444.600 6.907 30 10 IKEE COc1ccc(CSc2nnc(NN=C(Cc3ccccc3)Cc3ccccc3)[nH]2)cc1 20908541 IXXRZKOVJFVTFR-UHFFFAOYSA-N 443.576 5.359 30 10 IKEE CC(C)COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccncc2)cc1 21242232 CEZCQBYBSGQKQB-RBTNQOKQSA-N 439.559 6.096 30 10 IKEE O=C1CCCC2=C1[C@H](c1ccco1)N(C(=O)Nc1ccccc1Cl)c1ccccc1N2 21722291 RUOFGBLAJCLENB-QHCPKHFHSA-N 433.895 6.145 30 10 IKEE C=CCOc1ccc(/C=C(\C(=O)c2ccc(OCCC)cc2)c2nc3ccccc3o2)cc1 33442126 VLUPEUDLWZGSSO-LYBHJNIJSA-N 439.511 6.605 30 10 IKEE C=CCNC(=O)[C@H](C)Oc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1cccc(C)c1)CC2 34671847 KDWPIOPOLORVBC-DWACAAAGSA-N 440.587 5.212 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccccc1F 40094203 NQYRJUIGIYWEJQ-HSZRJFAPSA-N 439.527 5.547 30 10 IKEE C=CCc1ccccc1OCCn1c([C@H]2CC(=O)N(C3CCCC3)C2)nc2ccccc21 40183222 NJYIISAYNSBDMO-NRFANRHFSA-N 429.564 5.102 30 10 IKEE C=CCc1ccc(OCCn2c(COc3cc(C)ccc3C)nc3ccccc32)c(OC)c1 40234336 LQRJLUYEJULRDB-UHFFFAOYSA-N 442.559 6.048 30 10 IKEE Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1sc(=S)c2c(c1C#N)CC[C@H](C)C2 41011206 NFNCKNFFGCQVRB-WCQYABFASA-N 432.998 5.842 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(Cc1cccs1)C3 41646405 BUXILQDIMLPCJF-UUYOSTAYSA-N 433.529 5.424 30 10 IKEE N#Cc1cccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2-c2ccccc2)c1 59794568 MRYAGUBGBAPAEA-UHFFFAOYSA-N 445.935 5.190 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccc3nc(SCCC)sc3c2)nnc1C(C)C 59910541 QRNVDILXDHDJQQ-UHFFFAOYSA-N 447.655 5.430 30 10 IKEE COc1ccc(/C=C\C(=O)c2ccc(-n3ccnc3)cc2)cc1COc1ccccc1Cl 96603057 KCKPOSIZDNSFLY-SDQBBNPISA-N 444.918 6.009 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2cc(C)ccc2C)=C(O)C(=O)N1c1cc(C)cc(C)c1 169941117 KHVLHSAMLSBFPO-VWLOTQADSA-N 441.527 5.712 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCC)cc1 169976041 LHLRETJUHFSZSD-QFIPXVFZSA-N 441.955 5.897 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2ccccn2)cc1 169994051 IXNLZTUOTFWTLP-QFIPXVFZSA-N 448.906 5.225 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccn1 169996883 BBIBHTPLBFPSFH-HXUWFJFHSA-N 439.298 5.480 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1)c1ccc(F)cc1 170063209 NMYLBGUULXVUDJ-FQEVSTJZSA-N 425.818 5.401 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1cccc(O)c1)c1cc2ccccc2o1 170082598 LAVXTQLHFMMBJL-JOCHJYFZSA-N 447.393 5.200 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2sccc2C)cc1C 170106223 NVNHWJQMEDRDGA-HXUWFJFHSA-N 448.500 5.364 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(OC)cc1 170116705 VGRXLXFQDRHNOC-HSZRJFAPSA-N 437.536 5.251 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(O)cc2)cc1 170131359 DJIXASWDNKFDCS-HSZRJFAPSA-N 447.462 5.101 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1ccc(C(C)(C)C)cc1 170150236 GJAHYNBNUAWHRU-DEOSSOPVSA-N 447.619 6.578 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1cccs1 170161387 AWLCJXMXXSMYFM-JOCHJYFZSA-N 433.529 5.627 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(Cl)c3)[C@H]2c2ccccn2)cc1 170174352 SRTGNTIWXKOVRY-HXUWFJFHSA-N 439.298 5.480 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2)ccc1Br 170226078 WBYPZKKPOZLGOJ-OAQYLSRUSA-N 448.316 5.540 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccccc2)cc1C 170229695 QOLIECLTVXQCMY-QHCPKHFHSA-N 449.453 5.373 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccccc2F)c1 170248429 SGDWOGUZOTVAIL-XMMPIXPASA-N 445.490 5.704 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc(O)c2)cc1 170261883 YSHNRXDNMYZXJB-QHCPKHFHSA-N 435.520 5.092 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1cn(C)c2ccccc12 170269700 ABMQFLXDHUHSLS-JOCHJYFZSA-N 448.906 5.566 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1ccco1)c1ccc2c(c1)CCCC2 170290426 VJQGGWPARDZPQP-QFIPXVFZSA-N 435.426 5.220 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccc(C)o2)c(C)c1 170299905 CUIXAPSYKAYGRS-HSZRJFAPSA-N 431.488 5.305 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1ccc(C)o1 170300220 HNMFBHINRCKVJU-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCO3)=C(O)C(=O)N1c1cccc(F)c1 170313711 BTEXNPLBODGTCV-NRFANRHFSA-N 449.503 5.304 30 10 IKEE CCCCCCC[C@](C)(C(=O)O)N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 226801482 VEGUFXGHTBGLJF-MUUNZHRXSA-N 449.591 6.604 30 10 IKEE O=[N+]([O-])c1cc2c(cc1C=Nc1ccc(-c3nc4c(ccc5ccccc54)o3)cc1)OCO2 252628978 TWAVKWDMAPYKRF-UHFFFAOYSA-N 437.411 6.036 30 10 IKEE Cc1ccc(N=C(C(=Nc2ccc(C)cc2)N(C)c2ccccc2)N(C)c2ccccc2)cc1 252642543 ZNGZCAFGSSVUPL-UHFFFAOYSA-N 446.598 7.336 30 10 IKEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(CN(Cc2ccccc2)Cc2ccccc2)c1 393784461 WITJZJKTTLYVLM-UHFFFAOYSA-N 443.396 5.197 30 10 IKEE CCCOc1c(Br)cc(Br)cc1/C=C/B1OC(C)(C)C(C)(C)O1 396652561 KRDNXPRLPQZOOQ-BQYQJAHWSA-N 445.988 5.645 30 10 IKEE CC(C)n1ncc(Br)c1C(=O)/C=C\c1ccc(NC(=O)OC(C)(C)C)cc1 405897571 AOWVQYGSYZPSAI-FLIBITNWSA-N 434.334 5.470 30 10 IKEE N#CCSCC(=O)Nc1nc(-c2ccccc2Cl)c(-c2ccccc2Cl)s1 508330125 ZNFSKCBQFOYCAT-UHFFFAOYSA-N 434.373 5.979 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccc(F)c2)cc1OC 526605791 SMFLZDLVXXQLMK-DEOSSOPVSA-N 444.462 5.162 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(Cl)cc2)cc1OC 526607000 RGDHQHWZESFUCC-QHCPKHFHSA-N 446.890 5.286 30 10 IKEE Cc1ccc(SC2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 526661646 UNZZONWSKVRNFM-UHFFFAOYSA-N 445.931 5.509 30 10 IKEE COc1cc(OC)cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)c1 526772725 KXAGQHJYSDVDNT-QFIPXVFZSA-N 449.890 5.140 30 10 IKEE Cc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2ccc(OCC(C)C)cc2)cc1 586201849 XFKKWIFHEHVJSR-UHFFFAOYSA-N 434.561 5.297 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1ccc2c(c1)CCO2 698443620 KFHNVIFDVRSTOB-SFHVURJKSA-N 429.314 5.390 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1ccc(Br)c(C)c1 698483138 ANCIJRSQRSNEGW-GOSISDBHSA-N 431.330 5.773 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 724086457 GLNLZZVQJOMJNV-KBMIEXCESA-N 443.588 5.714 30 10 IKEE CN(Cc1ccccc1)S(=O)(=O)c1ccc(N=Cc2ccc(Cl)cc2Cl)cc1 1084504668 ALNLIRRQHXQTRN-UHFFFAOYSA-N 433.360 5.565 30 10 IKEE COc1ccc(-c2nc(N=Cc3ccc(F)cc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 1084586932 FZYFIEUXHPSYEA-UHFFFAOYSA-N 433.464 6.284 30 10 IKEE C=CCN(CC=C)c1cc(-c2cc3cnccc3c(NCc3ccccc3F)n2)ccn1 1857837393 BZCPWEMDMSTESJ-UHFFFAOYSA-N 425.511 5.621 30 10 IKEE N#Cc1ccccc1NC(=O)Oc1cccc2c(NC(=O)c3cccc(Cl)c3)cccc12 1858771589 QNKJCCRVCMQYHM-UHFFFAOYSA-N 441.874 6.228 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)c1ccc(OC)c(OC)c1)[C@@H](C)CC 1861066022 JRTQGIQCRKQXJB-CVDCTZTESA-N 434.621 5.105 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCSC)NC(=O)c1ccc2nc(C(C)C)[nH]c2c1 1861447749 PJVOOBRDSCNWGI-FQEVSTJZSA-N 446.661 5.015 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)c1ccc(N(C)C)cc1)c1ccccc1 1861827456 DSNOESIUZWCBRD-VWLOTQADSA-N 437.628 5.481 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2cccc(OCCC)c2)cc1 1862396464 DTOMSCDFVKIHNK-KBMIEXCESA-N 449.591 6.195 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(OC)c(O)c1 1862435887 HNHYSHVLWRBZIP-OAQYLSRUSA-N 443.927 5.213 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc(Br)c1 1862439388 LMTFMHZCYGOXJF-QGZVFWFLSA-N 434.717 5.091 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2cccc(O)c2)cc1 1862475603 QHQNRIHNQSKQFL-XMMPIXPASA-N 427.500 5.096 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2c(F)cccc2Cl)cc1 1862481064 WEERFQIXINVTHF-NRFANRHFSA-N 445.918 5.181 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2c(Cl)cccc2Cl)c1 1862498761 PWRZCGKVIGBAKD-OAQYLSRUSA-N 446.374 6.235 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc(O)c(OC)c2)cc1 1862530985 CMPSXVUWBKSGEI-LZBHBKQYSA-N 449.547 5.120 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc(N(C)C)cc2)cc1 1862532046 APOWZFZLSSZHLI-UODBTFMRSA-N 446.591 5.472 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)C)cc2)cc1 1862660841 NKWLMBFBUITUCX-VWLOTQADSA-N 443.543 6.305 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2ccccc2)c1 1862662596 JHGDKPAZLNNVDC-RUZDIDTESA-N 441.527 5.597 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccccc1Br 1862670620 YKVBTVQNLMLVIW-IBGZPJMESA-N 428.326 5.171 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1F 1862676046 YYEHHWUYLVBWRI-FPTDNZKUSA-N 437.417 5.443 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(N(C)C)cc1 1862677561 CJFZJAYRKHBVCU-MZNJEOGPSA-N 444.506 5.231 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(O)cc1 1862713818 XMDUROSCAHISKX-DEOSSOPVSA-N 429.516 5.704 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1[C@H](C)c1ccccc1 1862713832 XXRBBBXVDFBVBM-HRFSGMKKSA-N 447.534 6.488 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(OC)c(OC)c2)C(=O)N(CC(C)C)C1=O 1863519756 OECIWNVXKUNDRH-UHFFFAOYSA-N 444.616 5.170 30 10 IKEE C=CCN(CC=C)c1cc(N(Cc2ccccc2)C(C)C)nc(-c2cccc(OC)c2)n1 1867992848 SYCXWSRUMKQPJQ-UHFFFAOYSA-N 428.580 5.746 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)[C@@H](c1ccc(C(C)C)cc1)C(C)C)c1ccccc1 1868850034 AZDGFNCRWOBDOU-FTJBHMTQSA-N 432.608 5.608 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](CCSC)NC(=O)[C@H](c1ccc(Cl)cc1)C1CCCC1 1868872141 LCZFBFBVWBDJQJ-VXKWHMMOSA-N 449.060 5.052 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC[C@H]2c2ccc(C(F)(F)F)cc2)nc(CCOC)n1 1869119342 DPJRMOQSLIWDMP-FQEVSTJZSA-N 446.517 5.204 30 10 IKEE C=CCOc1cn(CCCCCC)c(CNc2ccc(-c3ccccc3C)cc2)cc1=O 1870813583 RPWASCIAQHSFHD-UHFFFAOYSA-N 430.592 6.581 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)cc2)c(=O)cc1CNc1cccc(C(F)(F)F)c1 1870861501 FNLIOIUMDSROQO-UHFFFAOYSA-N 448.872 5.898 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OC(C)(C)C)c(=O)cc1CNc1ccccc1 1870865950 DFCCOXCVCGEVNQ-UHFFFAOYSA-N 442.600 5.541 30 10 IKEE Cc1cc(OC(=O)c2ccc(F)c(F)c2F)cc2c1C(=O)/C(=C/c1ccc(Cl)cc1)O2 1871370279 IOLYXFDWIGEALL-NVMNQCDNSA-N 444.792 5.901 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OC(=O)c4ccc(OC(=O)C(C)C)cc4)ccc3C2=O)c1 1871390858 MPDATUXVWQOSEG-OYKKKHCWSA-N 442.467 5.392 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(O)c2CN(C2CCCCC2)C2CCCCC2)C1=O 1871393274 ZZGAWRIBGKIZCJ-IMRQLAEWSA-N 445.603 6.784 30 10 IKEE Cc1ccc(/C=C2\Oc3c(CN4CCC(Cc5ccccc5)CC4)c(O)cc(C)c3C2=O)o1 1871395469 SPBYMMBUAOFJCH-XYGWBWBKSA-N 443.543 5.673 30 10 IKEE C[C@H]1CCCN(Cc2c(O)ccc3c2O/C(=C\c2ccc(-c4ccccc4)cc2)C3=O)C1 1871396627 PFTJSSWKZLHWET-HPUZFYODSA-N 425.528 5.907 30 10 IKEE O=C1/C(=C/c2ccccc2OC(F)F)Oc2cc(OCCCOc3ccccc3)ccc21 1871397065 IGOQTXPEQZQYKT-HAHDFKILSA-N 438.426 5.752 30 10 IKEE CCc1ccc(OCCCOc2ccc3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)cc1 1871412999 PAFJLQXKSAVLAN-YSMPRRRNSA-N 444.483 5.442 30 10 IKEE CC(C)(C)c1ccc(OCCOc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871414281 DWJQUORIFDQMEJ-GBYMPPBLSA-N 440.539 6.614 30 10 IKEE CCOC(COc1ccc2c(c1C)O/C(=C\c1ccc(Br)cc1)C2=O)OCC 1871416276 UOTOZPKOBWMCOI-UNOMPAQXSA-N 447.325 5.152 30 10 IKEE CCc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871454752 WAOUUKMTYJRMIV-QRVIBDJDSA-N 431.463 5.330 30 10 IKEE CCCCCCCCN=c1nc(N2CCC(C)CC2)[nH]c(=Nc2cc(Cl)ccc2C)[nH]1 1871513534 CJDFSWLTJITOEM-UHFFFAOYSA-N 445.055 5.430 30 10 IKEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1cc(C)ccc1C 1872523684 PUGGPRLWHUUFDA-HSZRJFAPSA-N 442.625 5.150 30 10 IKEE Cc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3cccc(Br)c3)cs2)cc1C 1872763457 MPGRJYYCMVDKQS-SFHVURJKSA-N 441.350 5.445 30 10 IKEE CCCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3cc(C)ccc3C)cs2)cc1OCC 1872771888 FICMPDQQDJPCEQ-OAQYLSRUSA-N 448.588 6.495 30 10 IKEE CC(C)(C)c1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)c(Cl)c3)n2)cc1 1872773002 JJIAJIXQWJOMOM-MRXNPFEDSA-N 429.372 6.904 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4ccccc4)cc3)n2)cc1F 1872774829 CTNSKCXELSSELD-FQEVSTJZSA-N 428.488 6.115 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)c2ccc(F)c(F)c2F)n1 1872777148 HKMCNUZCZDXTKW-OAHLLOKOSA-N 444.478 6.024 30 10 IKEE COc1c(Cl)cc(-c2csc([C@H](C#N)C(=O)Cc3cc(C)ccc3C)n2)cc1Cl 1872785503 OOVWDQZUJJAJEB-MRXNPFEDSA-N 445.371 6.161 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)c2ccc([N+](=O)[O-])cc2)n1 1872786849 UKMKHZBPAMTOPK-MRXNPFEDSA-N 427.869 5.179 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3c[nH]c4ccccc34)n2)c2ccccc12 1872787714 PYEZHHPLOSEYKN-NRFANRHFSA-N 437.524 5.872 30 10 IKEE CCCCCCCCNC1=C(c2ccc(F)c(C)c2)C(=O)N([C@H]2CCCC[C@H]2C)C1=O 1873152973 OYPOADIHTGUCFP-GCJKJVERSA-N 428.592 5.743 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C(F)(F)F)[nH]1 1873501721 LGOZTEXRSQTZME-QPJQQBGISA-N 434.274 5.415 30 10 IKEE C=CCn1c(C(=O)Nc2ccccc2C(C)C)cc2c(NCc3cccc(C)c3)ncnc21 1873618003 UIBXUEBALHNFGW-UHFFFAOYSA-N 439.563 5.914 30 10 IKEE N#Cc1cccc(NC(=O)[C@H]2c3ccccc3C(=O)N(Cc3ccco3)C23CCCCC3)c1 1873866669 KJOPMKAHOWYDHV-XMMPIXPASA-N 439.515 5.232 30 10 IKEE COc1ccc(OCc2nnc(SC)n2/N=C/c2c[nH]c3ccccc23)c(C(C)(C)C)c1 1874194214 DIFBUHZNKNHBSX-VULFUBBASA-N 449.580 5.249 30 10 IKEE Cc1cccc(CSc2nnc(COc3c(C)cccc3C)n2/N=C/c2ccc[nH]2)c1 1874299198 NEPBBUHMGBTXMU-VULFUBBASA-N 431.565 5.285 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CCCOc2ccccc2)nnc1SCC(=C)C 1874316695 GTCOJCBROYRPES-NLRVBDNBSA-N 448.592 5.405 30 10 IKEE COc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 1874416146 APUXWDKNIAEJRV-WGOQTCKBSA-N 432.524 5.191 30 10 IKEE Clc1ccc(CSc2nnc([C@H]3CCCO3)n2/N=C/c2ccccn2)c(Cl)c1 1874451032 QFSHFLJNZIVYMM-TVSCDJBNSA-N 434.352 5.006 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCCc2ccccc2)nnc1-c1ccco1 1874467038 OYWOZWMNABIJAK-XIEYBQDHSA-N 432.549 5.544 30 10 IKEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3cccc(C)c3C)nnc2C(C)(C)C)cc1 1874483116 FJVKWPYVFRKGGD-CVKSISIWSA-N 449.624 5.368 30 10 IKEE COc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2cccc(Cl)c2)cc1OC 1874491392 OZDICUAHZSXQDS-ZMOGYAJESA-N 444.988 5.322 30 10 IKEE CCCN(CCC)C(=O)CSc1nnc(C2CCC2)n1/N=C/c1cccc2ccccc12 1874497059 RRDADTCQBRLCHW-YZSQISJMSA-N 449.624 5.322 30 10 IKEE Cc1cccc(CSc2nnc(C(C)C)n2/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 1874511945 SWNZVEFURUMCEC-SSDVNMTOSA-N 429.933 5.446 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(SCc2cccc(F)c2)nnc1C1CC1 1874518185 GQMDRDLBWUDCPQ-VULFUBBASA-N 432.524 5.631 30 10 IKEE CCOc1c(/C=N/n2c(C)nnc2SCc2cccc3ccccc23)cccc1OC 1874533306 CCSVXWGBXWCOKP-MFKUBSTISA-N 432.549 5.322 30 10 IKEE O=C(/C=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12)c1ccc2ccccc2c1 1874571345 IQCUOFUWUNCGEU-WUKNDPDISA-N 432.494 7.607 30 10 IKEE Cc1ccc(C)c(COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c1 1874582837 JERCJLBWQPWENW-GXDHUFHOSA-N 432.991 7.729 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccccc1OCC(=O)Nc1cccc(C)c1 1874588731 ATYMZYSUMCRERE-VAWYXSNFSA-N 449.934 5.879 30 10 IKEE O=C(/C=C/c1cccc(OCc2c(F)cccc2Cl)c1)c1ccc(Br)cc1 1874593252 ACPQKPDNECTVMQ-KPKJPENVSA-N 445.715 6.717 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OCc3c(Cl)cccc3Cl)c2)cc1 1874593678 WGWATZYNRJZHCA-DTQAZKPQSA-N 439.382 7.811 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OCC(=O)Nc1cc(C)cc(C)c1 1874595613 VMDFSUVAVNTOMS-ONNFQVAWSA-N 449.934 5.879 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1c(C)cccc1C 1874614067 BSJNVLXVMXIIMA-OUKQBFOZSA-N 449.934 5.879 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OCC(=O)NCc1ccccc1 1874617827 VMUAVYYEDUSKKO-SDNWHVSQSA-N 443.543 5.293 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1Cl 1874624139 NQFSEFUFBIGMNS-NTUHNPAUSA-N 441.999 6.387 30 10 IKEE O=C(COc1cc(Cl)ccc1Cl)Oc1cccc(/C=C/C(=O)c2ccccc2)c1 1874700239 IHDQGXKSPGVEEZ-FMIVXFBMSA-N 427.283 5.874 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(Cl)cc3Cl)c2)c(C)c1 1874701935 DNNGDIJROFLUPN-YRNVUSSQSA-N 425.311 6.726 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OC(=O)c1ccc(C(C)(C)C)cc1 1874703395 NNHBTYAXOXTWFW-OQLLNIDSSA-N 442.555 6.725 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OC(=O)Cc1cc(C)ccc1C 1874708196 RIOACFSVNDITKY-RIYZIHGNSA-N 442.555 6.480 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cccc(OC(=O)COc2ccc(C)cc2C)c1 1874713339 RIFIBDREYFKYEN-ZHACJKMWSA-N 444.527 5.809 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Br)c2)cc(Br)c1O 1874719354 ZDGYXKWUAUYYBF-VOTSOKGWSA-N 426.104 5.212 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(OC)c1OC(=O)c1ccc(F)cc1 1875115079 LNQKKXMAASAKPS-GIDUJCDVSA-N 446.474 5.687 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)c(Cl)c1)c1ccc(Cl)cc1 1875125949 JEXCPKKIIGXTGZ-ONNFQVAWSA-N 442.254 6.017 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2[N+](=O)[O-])c(C)c1 1875127049 MGQHTUHDHOOLMM-PKNBQFBNSA-N 431.444 5.092 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1OC(=O)c1ccc(F)cc1 1875135665 BHSIDAJXUUEVOW-AWNIVKPZSA-N 449.434 5.556 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)c1ccc(C)cc1 1875137747 CANKPHVEBPDIIE-JLHYYAGUSA-N 430.500 5.744 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)c3cccs3)c(Br)c2)ccc1F 1875141799 VWHRFLVSBUVNOS-XBXARRHUSA-N 445.309 6.073 30 10 IKEE CCCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OC 1875142347 WYUIKWBGKJRGQW-RMKNXTFCSA-N 435.289 5.507 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 1875142365 XPLDQOYPRCUWSN-UUILKARUSA-N 449.434 5.556 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccc(F)cc1 1875150489 PRTIFQFXQOZAJE-PJQLUOCWSA-N 432.491 6.247 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc1OCC 1875153344 BWJZNKDRRBWTAI-JLHYYAGUSA-N 428.500 6.005 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)c(C)c3)c(OC)c2)cc1F 1875153567 NFQCQIWDZBCNRT-UXBLZVDNSA-N 434.463 5.575 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N(CCC)CCC)n2CC(C)C 1875210710 QQBVMSAUEJBYRS-UHFFFAOYSA-N 429.653 6.122 30 10 IKEE O=C(Cc1ccc(F)c(C(F)(F)F)c1)Nc1cc(Br)cc(C(F)(F)F)c1 1889893576 OTBMXQFKOMUDKX-UHFFFAOYSA-N 444.144 5.807 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)[C@@H](C)Oc3cccc4ccccc34)cc21 1891251730 WPIIIBFFRIOYGI-GOSISDBHSA-N 444.531 5.183 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@@H]21 1907794398 USPLFSVDZPIBFG-PDOGEWKWSA-N 427.545 5.028 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C 1922056758 ZKKGQUVAGKHEIZ-RPBOFIJWSA-N 438.612 5.264 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@](O)(CC)c1ccc(Br)cc1 1922075826 ZXUVVOKDMNKIPY-XZOQPEGZSA-N 432.402 5.188 30 10 IKEE C=C(COCc1ccccc1)[C@H](N)c1ccc(Br)cc1NC(=O)OC(C)(C)C 1922081759 ZXMBZVBVVNECIF-FQEVSTJZSA-N 447.373 5.569 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](O)c1cccc(OCc2ccccc2)c1 1922102210 GOBGJQVECNAFED-WUFINQPMSA-N 431.576 5.440 30 10 IKEE C[C@@H]1CN(Cc2ccccc2)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1949311726 FRCHDYKTXZUJBY-KBMIEXCESA-N 439.987 5.886 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)C1(COc2cc(C#N)cc(Cl)n2)CCC1 1986482013 IAHYMRBXCALZTD-UHFFFAOYSA-N 427.932 5.345 30 10 IKEE CCCCCC#CC[C@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCC 2024369192 CWKCPDWEFUPSRF-DNQXCXABSA-N 430.633 5.439 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 2037322289 SZVJHKMPJXPYCN-XMMPIXPASA-N 445.535 5.251 30 10 IKEE CC[C@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)CN1C(=O)OC(C)(C)C 2040669696 CAQYENAIBXXQES-BXKMTCNYSA-N 447.551 5.639 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(Cc2ccccc2)C2(CC2)C1 2042188390 HABFFMXUQSSTDE-MHZLTWQESA-N 431.580 5.828 30 10 IKEE CC(=O)N(c1nc(C=CC(=O)c2ccc3c(c2)OCCO3)cs1)c1cccc(C)c1C 2042448487 BPIGDRHWRNNCJS-UHFFFAOYSA-N 434.517 5.112 30 10 IKEE C#CC[C@H](NCCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071348163 VUHLOYNTLDDRSE-LBNVMWSVSA-N 429.560 5.270 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]2CN(C(=O)OC(C)(C)C)C(C)(C)C2)cc1 2073118794 NUUNBEDYUQEKRY-AZUAARDMSA-N 443.588 5.664 30 10 IKEE CC#CCCC[C@@H](NCCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2073672355 SECNAHQYSWESCQ-XMMPIXPASA-N 441.660 5.108 30 10 IKEE CC(C)(C)OC(=O)c1nn(Cc2ccc(F)cc2C(F)(F)F)c(C(F)(F)F)c1Cl 2079181780 AOVGBXKIWBVKQM-UHFFFAOYSA-N 446.750 5.717 30 10 IKEE CCC[C@@H](NCc1cn(C)nc1-c1ccc(C#N)cc1)c1ccc(Oc2ccccc2)cc1 2087918701 KZLIENCRFYWBPQ-HHHXNRCGSA-N 436.559 6.382 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@]1(O)CN(Cc2ccccc2)C2(CCCC2)C1 2100072541 WWMVUQNUVAHNDH-XRKRLSELSA-N 448.651 5.077 30 10 IKEE CCCCCCCCCC(=O)[C@@H](O)c1cc(Br)c(Br)s1 2147073274 GNANKNXZIGKLBP-CQSZACIVSA-N 426.214 6.016 30 10 IKEE COc1cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)ccc1C 2149627602 KUAATAZCVFXOGT-SFHVURJKSA-N 431.330 5.773 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CN(c2ccc(Br)cc2C#N)C2(CCCCC2)C1 2174808881 SUUBSSJLDJOZFY-QGZVFWFLSA-N 434.378 5.127 30 10 IKEE CC[C@H]1CN(c2cc(Br)cc(F)c2C#N)[C@@H](CC)CN1C(=O)OC(C)(C)C 2174809347 YRUSMTRTHXOHDX-GJZGRUSLSA-N 440.357 5.074 30 10 IKEE C[C@H]1CC[C@]2(CSC(=Nc3c(Br)cc(Cl)cc3Br)N2)C1 2194675126 ZJIFSJZVDZZBDR-RMLUDKJBSA-N 438.616 5.748 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)C#Cc1ccccc1Br 2235725265 IZRNQNPBHJUKSJ-IBGZPJMESA-N 434.374 5.233 30 10 IKEE CC1(C)CC=C(C(=O)[C@@H](Cc2ccccc2Br)NC(=O)OC(C)(C)C)CC1 2237426183 CSGLRGXYMOSUIY-GOSISDBHSA-N 436.390 5.591 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cccc(Cl)c1Br 2272013075 AXTOHFCPHNOERV-WMZOPIPTSA-N 443.813 5.450 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Cl)cc([C@H](N)C#Cc2cccc(Br)c2)c1 2278729110 ZLZCXENWNJSJIS-GOSISDBHSA-N 435.749 5.501 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](CCC(=O)C#Cc2cccc(Br)c2)C1 2296230532 UWGHKSLJACRNQG-IEBWSBKVSA-N 434.374 5.233 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3ccccc3c2O)cc1COc1ccc(Cl)cc1 2296417271 MCYBNSXGBIWKQK-UHFFFAOYSA-N 444.914 6.683 30 10 IKEE C=CCOc1ccc(C=C(C(=O)c2ccc(OC(C)C)cc2)c2nc3ccccc3o2)cc1 2296696715 SWSWSWGJJBWXGI-UHFFFAOYSA-N 439.511 6.603 30 10 IKEE COc1cc(C=C2SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)ccc1O 2296826798 SYGYADBSIGVFRH-UHFFFAOYSA-N 430.529 5.826 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(COc3ccc(Br)cc3Cl)o2)cc1 2297110693 RIWKCTSTNKQPIB-UHFFFAOYSA-N 431.713 6.479 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)CC(C#N)(N(C(=O)OC(C)(C)C)C1CCCC1)C2 2300583384 JXVAHKHITTZPDT-QLCVBSLISA-N 433.593 5.095 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@H](C#N)[C@@]1(C)CCCCN1C(=O)OC(C)(C)C 2302519497 LXOSMVZEZJFQKG-NTKDMRAZSA-N 429.561 5.500 30 10 IKEE CCCCc1nnc(SCc2ccc(Br)cc2)n1N=Cc1ccccc1C 2318571518 MHAMRCTWSGDKHA-UHFFFAOYSA-N 443.414 5.866 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 2318878236 USTYXWTYHOBBFY-ZIFCJYIRSA-N 445.560 5.022 30 10 IKEE CCOc1cc(C=NNc2oc(-c3ccccc3)nc2C#N)ccc1OCc1ccccc1 2320833958 IEIMZTWIYDXNAW-UHFFFAOYSA-N 438.487 5.637 30 10 IKEE CCOc1cc(C=NNc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Cl)cc1 2321718131 GUHKONSSJMJQCI-UHFFFAOYSA-N 449.765 7.071 30 10 IKEE COc1ccc(C=C2Oc3cc(OCc4cccc(Cl)c4)cc(C)c3C2=O)c(OC)c1 2321762464 UAPXWHQFRRGZAO-UHFFFAOYSA-N 436.891 5.861 30 10 IKEE CCn1cc(C=C2Oc3c(ccc4c3CN(C3CCCC3)CO4)C2=O)c2cc(OC)ccc21 2322016162 NVLRVSMKUKHVSW-UHFFFAOYSA-N 444.531 5.381 30 10 IKEE COC(=O)c1ccc(COc2ccccc2C=CC(=O)c2ccc(Cl)cc2Cl)o1 2322379282 GXVZREQVPKKURF-UHFFFAOYSA-N 431.271 5.848 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2c(OCC(=O)Nc3nccs3)ccc3ccccc23)c1 2322617021 ICCQWOMSHPRDKQ-UHFFFAOYSA-N 442.540 5.827 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCc3cc(C)ccc3C)ccc3ccccc23)cc1F 2322708414 OAAAKBDUIDJERZ-UHFFFAOYSA-N 440.514 7.079 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2cccc(OC)c2OCCCO)cc1 2322763109 TZASCDWURPFWQD-UHFFFAOYSA-N 426.553 5.702 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1c(F)cccc1Cl)C2=O)c1cc2ccccc2o1 2322839800 GLYDDORUEOSXJV-UHFFFAOYSA-N 434.806 6.061 30 10 IKEE CCCNC(=O)COc1ccc2ccccc2c1C=CC(=O)c1cc(C)cc(C)c1OC 2322851575 OXMQAXZXMQDGDW-UHFFFAOYSA-N 431.532 5.266 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccc(C)cc2C)c(OC)c1 2322901500 BOQAMIXLNWPCNC-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cc(Cl)ccc1OCc1cccc(C)c1 2323022888 XYJMKJNQLAVJFH-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1OCC(=O)N[C@@H](C)c1ccccc1 2323118131 RLZRQOWOKKFEBI-SFHVURJKSA-N 449.934 5.501 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)c4ccc(C)c(C)c4)cc(C)c3C2=O)cc1OC 2323247465 AFDOKUIJBSRYGF-UHFFFAOYSA-N 444.483 5.464 30 10 IKEE Cc1ccccc1COc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1Cl 2323351874 SWLCPFTXBZNJGJ-UHFFFAOYSA-N 438.954 7.791 30 10 IKEE Cc1c(OC(=O)Cc2ccc(Cl)c(Cl)c2)ccc2c1OC(=Cc1ccccn1)C2=O 2323419805 CMTBTYPPOPHZOT-UHFFFAOYSA-N 440.282 5.461 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 2323790999 AAORRMOIRSBGNZ-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OCc1ccc(Cl)cc1Cl 2323985408 SEYGSYCZTFXMKB-UHFFFAOYSA-N 445.317 6.925 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2cccc3ccccc23)cc1Cl)NC1CCCCC1 2324129582 FZSQBBWNWJVBSU-UHFFFAOYSA-N 447.962 6.217 30 10 IKEE CCCCOC(=O)COc1ccc2c(c1C)OC(=Cc1ccccc1Br)C2=O 2324297867 FQTMYWVGXUQVDT-UHFFFAOYSA-N 445.309 5.096 30 10 IKEE CCOc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)OC(=Cc1cccs1)C2=O 2324325285 SSVCDYJWUMRUNZ-MRXNPFEDSA-N 449.528 5.477 30 10 IKEE CCCNC(=O)COc1ccc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc1Cl 2324534940 QWEQCUPLNSYZMT-UHFFFAOYSA-N 436.335 5.112 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(C(C)(C)C)cc3)n2)c(C)c1C 2324706230 CYLWESLNSWDDNC-JOCHJYFZSA-N 444.600 6.623 30 10 IKEE Cc1cc(C)c(COc2ccc3c(c2)OC(=Cc2ccc(-c4ccccc4)cc2)C3=O)cc1C 2324762606 ZJMQQUPCZQUJJA-UHFFFAOYSA-N 446.546 7.474 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@H](C#N)C(=O)C=Cc2ccc(Cl)cc2)n1 2324773984 KILABTSQXHVTBW-QGZVFWFLSA-N 443.355 6.324 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1ccccc1Cl)C2=O 2325141814 WLPICRHZJHMSAW-KRWDZBQOSA-N 447.918 5.979 30 10 IKEE Cc1cc(OCc2ccc(C(=O)OC(C)C)o2)cc2c1C(=O)C(=Cc1ccccc1F)O2 2325387763 QKUAQSUOTLNBDF-UHFFFAOYSA-N 436.435 5.488 30 10 IKEE COc1ccccc1C=Nn1c(CCc2ccccc2)nnc1SCc1ccc(F)cc1 2325437715 JZVORAMKXPEFNQ-UHFFFAOYSA-N 446.551 5.386 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OCC(=O)Nc3ccc(C(C)(C)C)cc3)ccc2C1=O 2325552480 XESJZXZJPSQBTP-UHFFFAOYSA-N 447.556 5.988 30 10 IKEE O=C(C=Cc1ccc2c(c1)OCCO2)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 2325701765 DYIIWJXUNMWYGZ-UHFFFAOYSA-N 435.863 5.125 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(F)c(F)c3F)c2)cc1 2325704545 XQDMPLQXKDRGCB-UHFFFAOYSA-N 440.417 5.790 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3ccc(Cl)c(C)c3)c2)cc1 2325705755 XTJSKNOHSUEADS-UHFFFAOYSA-N 434.919 6.091 30 10 IKEE COc1ccccc1C(=O)C=Cc1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1 2325724537 QUMPVNSQIZKYJL-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccccc3OC)c2)cc1 2325738933 XUFJHQAQTMQBGH-UHFFFAOYSA-N 446.499 5.608 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(OCC)cc3)c2)cc1 2325739140 CBJMEFWJCYLLFY-UHFFFAOYSA-N 444.527 5.918 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(C=CC(=O)c3cc(C)ccc3C)ccc2OC)c1 2325740118 ACGKFIYRRNWGLM-UHFFFAOYSA-N 430.500 5.826 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2cccc(C=CC(=O)c3ccc(F)c(F)c3)c2)c1 2325753459 YCIZKSAHTPMJEB-UHFFFAOYSA-N 438.426 5.026 30 10 IKEE CCCCCCCCC(=O)Oc1cccc(C=CC(=O)c2ccc(OC)c(Cl)c2)c1 2325769697 YLJZNIYDEDWNBM-UHFFFAOYSA-N 428.956 6.901 30 10 IKEE O=C(Oc1cccc(C=CC(=O)c2cc(Cl)ccc2Cl)c1)c1cccc(Cl)c1 2325774545 BCEZJRUKPWHHQF-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1ccc(O)c(Cl)c1 2326417786 FFOWUYVMJIZVAT-UHFFFAOYSA-N 428.989 5.771 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccccc1OCC 2326651166 DDORDGKISXYSOW-UHFFFAOYSA-N 444.604 6.347 30 10 IKEE Fc1ccc(CSc2nnc(CC34CC5CC(CC(C5)C3)C4)n2N=Cc2ccc[nH]2)cc1 2326883186 FVGDDLCVTBDQRF-UHFFFAOYSA-N 449.599 5.679 30 10 IKEE C=C(C)CSc1nnc(COc2cccc(C)c2C)n1N=Cc1c(F)cccc1Cl 2328846772 PRHGBZWBYVLBJX-UHFFFAOYSA-N 444.963 5.817 30 10 IKEE C=CCSc1nnc(COc2cccc(C)c2C)n1N=Cc1ccc(Cl)c(Cl)c1 2328857460 DQEFIDJDXCDKAO-UHFFFAOYSA-N 447.391 5.941 30 10 IKEE C=CCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc(C(F)(F)F)cc1 2329112693 JZXCHQVCOYFCLZ-UHFFFAOYSA-N 436.890 5.701 30 10 IKEE CCCSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1cccc(OC)c1OCC 2329445569 RQQCZKLNHXNUAU-UHFFFAOYSA-N 438.597 5.277 30 10 IKEE COc1ccccc1C=Nn1c(Cc2cccs2)nnc1SCCc1ccccc1 2330396064 DGKFGZHSMWUJJY-UHFFFAOYSA-N 434.590 5.156 30 10 IKEE Clc1ccccc1CSc1nnc(Cc2cccs2)n1N=Cc1ccncc1 2330396225 WYHBOWIFMRRJMT-UHFFFAOYSA-N 425.970 5.153 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(-c3cccs3)n2N=Cc2ccccc2)c1 2330531900 XHOJHEBFXSVSKH-UHFFFAOYSA-N 447.589 5.236 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C2CCC2)c(Br)c1)c1ccc2ccccc2c1 2330663839 AXSKFQLKBHKPHR-UHFFFAOYSA-N 435.317 6.204 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3ccccc3F)c(OC)c2)cc1 2330736997 QSLNBVJNSVNXPV-UHFFFAOYSA-N 438.882 6.165 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)cc3)c(OC)c2)cc1 2330846607 UUVFEBNICUKWRG-UHFFFAOYSA-N 442.555 6.390 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Br)cc3)cc2)c(C)c1 2331216218 CSFDRWBXPFWVDV-UHFFFAOYSA-N 435.317 6.181 30 10 IKEE Cc1cc(C(=O)Oc2ccc(C=CC(=O)c3cccc4ccccc34)cc2)ccc1[N+](=O)[O-] 2331470273 ZGVGVIVNTPLYLL-UHFFFAOYSA-N 437.451 6.172 30 10 IKEE COc1cc(C=Nn2c(SCc3ccc(C)cc3)nnc2C2CCC2)cc(Cl)c1O 2331480996 STUDAVFUXQTVBP-UHFFFAOYSA-N 442.972 5.396 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3ccc(C=CC(=O)c4ccc(F)c(F)c4)cc3)c(C)c2c1 2331555160 FEIVNOZCZRFVIP-UHFFFAOYSA-N 431.438 6.178 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1cccc(F)c1 2331657588 DRCPBSZMQPUZSD-UHFFFAOYSA-N 432.491 6.183 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccccc1OC(C)C 2331659539 VJKMFVCYQRFAHY-UHFFFAOYSA-N 428.989 5.846 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)C3CCCC3)c(OC)c2)c(OC)c1 2331716789 ORPHIUIATYMILK-UHFFFAOYSA-N 444.911 5.358 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(Cl)cc2)cc1 2331872691 FDISHHNMMHOWQX-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE CC[C@H](N[C@@H]1CC(C)(C)[C@H]1OCc1ccccc1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363843860 LLSHGDXBRQWBQK-GVAUOCQISA-N 449.444 5.410 30 10 IKEE C=CCCCCCCCCC[C@H](N)c1sc(Cl)cc1I 2366656039 XBLLHMYHMOEMKZ-AWEZNQCLSA-N 425.807 6.703 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1cnc2c(c1)CCC2 2368002082 PBLKHIQXCOEUJH-IBGZPJMESA-N 428.330 5.339 30 10 IKEE Fc1ccc([C@@H]2CC(c3cccc(/N=C/c4ccccc4F)c3)=NN2c2ccccc2)cc1 15773275 KUDFUKVPOABZGV-NGUGDGFLSA-N 437.493 7.071 30 10 IKEE CCOc1ccc2c(c1)O/C(=C\c1ccccc1OC(=O)c1ccc(C(C)(C)C)cc1)C2=O 39856413 XMAWGHPNEFBNAU-XYGWBWBKSA-N 442.511 6.218 30 10 IKEE O=C1/C(=C/c2cccc3ccccc23)S/C(=N/c2cccnc2Cl)N1C1CCCCC1 39864160 NVMIRHWBFVMQRT-HPDDVHGTSA-N 447.991 6.825 30 10 IKEE COc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccccc4C(F)(F)F)o3)S2)cc1 59220288 PYRRBIIEKFJCLG-XDHOZWIPSA-N 444.434 5.866 30 10 IKEE Oc1ccc(Cl)cc1/C=N/c1ccc2nc(SCc3ccc(Cl)cc3)sc2c1 59501361 NKBAPNVVTNRWRC-BHGWPJFGSA-N 445.396 7.352 30 10 IKEE CC(C)(C)CC(C)(C)/N=C1\Nc2ccccc2CNC12CCN(C(=O)OC(C)(C)C)CC2 85393209 DRIGWFDCTVIYSR-UHFFFAOYSA-N 442.648 5.585 30 10 IKEE Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(OCc4ccccc4C#N)cc3)S2)cc1 96592694 WNSQAHIRDVOQCU-UCQKPKSFSA-N 425.513 5.337 30 10 IKEE O=C(Nc1cccc(Cl)c1)c1cccc(/N=C/c2cc(Br)ccc2O)c1 100031976 MMQGQTLDPZPOHQ-FSJBWODESA-N 429.701 5.811 30 10 IKEE COC(=O)c1cccc(/N=C/c2cc(C)n(-c3sc4c(c3C(=O)O)CCCC4)c2C)c1 100992654 GYTBIAYMKLVOOZ-DHRITJCHSA-N 436.533 5.270 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(OC2CCCCC2)c1N 101532221 VZFWFCHFISDWBG-UHFFFAOYSA-N 432.697 7.664 30 10 IKEE CCCCCCCCCCCCn1c(CNC(=O)C2CCCCC2)nc2ccccc21 102117943 VEXHMMPYEHEEKK-UHFFFAOYSA-N 425.661 7.154 30 10 IKEE CCCCCCCCCCCCOCn1c(=N)n(CCN2CCOCC2)c2ccccc21 103005502 PRMGMMUWHRPYET-UHFFFAOYSA-N 444.664 5.149 30 10 IKEE O=C(Nc1cccc(/N=C/c2cc(/N=N/c3ccccc3Cl)ccc2O)c1)c1ccco1 103302962 KBCYZVZQYZBOBI-YDPKYKODSA-N 444.878 7.057 30 10 IKEE CSc1nnc(COc2ccccc2)n1/N=C\c1ccccc1OCc1ccccc1 169916533 LUBAQTMDOULNAC-XYGWBWBKSA-N 430.533 5.040 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2ccccc2OC)cc1 169942272 LJQCXKRYFZMDEC-XMMPIXPASA-N 443.499 5.049 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc(OC(C)C)c1 169981067 SOCJQZOPZFKKIV-QFIPXVFZSA-N 425.500 5.381 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(C)c2)cc1 170142230 WXOANSRWWCRFIM-BVZFJXPGSA-N 439.511 5.410 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2OC)[C@H]1c1ccc(OCC(C)C)cc1 170167385 ZOTGGJIVFVREJQ-HSZRJFAPSA-N 437.536 5.027 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccncc2)cc1C 170202348 HIYSMKRTKUHUJW-XMMPIXPASA-N 442.515 5.269 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2)cc1C 170226309 SYFQCBYTXJBIAP-XMMPIXPASA-N 427.500 5.567 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(CCCOC(C)C)[C@@H]1c1ccccc1 170233694 LGIRPYGYBIRREJ-XMMPIXPASA-N 449.591 5.686 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccc(Cl)cc1 170236532 XMEQQIBEMHDFKN-IBGZPJMESA-N 425.868 5.083 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(F)cc1)c1cccc2ccccc12 170242301 ZECMEBBSZRJNCI-DEOSSOPVSA-N 429.491 5.890 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(C4CCCCC4)[C@H]3c3cccc(O)c3)oc12 170261984 CSXUVEJTUBGVLX-QFIPXVFZSA-N 447.487 5.058 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 170265903 LCDIQUMUIGDFJY-OFVILXPXSA-N 441.527 5.160 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@H]1c1ccc(C)o1 170304922 QULQEWNRCZGKKL-QHCPKHFHSA-N 447.487 5.005 30 10 IKEE Cc1occc1C(=O)Nc1cccc(C(=O)/C=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 210049622 IRJIOBAKBIQGTL-LUAWRHEFSA-N 442.427 5.905 30 10 IKEE Cc1cc(C)cc(OCCn2cc(C=N/N=c3/[nH]c4ccccc4s3)c3ccccc32)c1 254391653 OXMWSMJJKUYWTA-UHFFFAOYSA-N 440.572 5.815 30 10 IKEE O=CC1(c2ccc(OCc3ccccc3)cc2)CCN(C(=O)OCc2ccccc2)CC1 383412942 HYFPSWWRQBNUMF-UHFFFAOYSA-N 429.516 5.135 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2c(C)[nH]c3ccccc23)cc1 526487264 WFFAOEXYGHCLDE-RUZDIDTESA-N 435.483 5.414 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2sccc2C)c1 526518494 XUNJUPCPSOCQAE-HSZRJFAPSA-N 444.556 6.164 30 10 IKEE CC(C)c1ccc([C@H]2C(c3cccc4ccccc34)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526519772 ITDASJSHOPICIS-NDEPHWFRSA-N 444.534 6.892 30 10 IKEE Cc1ccc(SC2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(C)cc3)C2=O)cc1 526661969 FTTOOFONUQLQCA-UHFFFAOYSA-N 425.513 5.164 30 10 IKEE CCOc1cc(/C=N\n2c(CC)nnc2SCc2ccccc2)cc(Cl)c1OC 526800220 VMXQUZVFEMOZTE-QRVIBDJDSA-N 430.961 5.076 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2cccc(F)c2)c(C)c1 526812522 ZCTVEUZXVRSZKW-QRQIAZFYSA-N 444.579 5.994 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 698886792 VWYZJHBXIXXLOO-JPYJTQIMSA-N 433.524 5.249 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCN(C(=O)OCc2ccccc2)C1 720802688 FJFLPFCABSYUPH-AREMUKBSSA-N 449.551 5.432 30 10 IKEE O=C(Oc1ccc(C=NNc2nc(-c3ccccc3)cs2)cc1)c1ccc([N+](=O)[O-])cc1 1081093861 ZBLQYZPEGBDVHL-UHFFFAOYSA-N 444.472 5.384 30 10 IKEE C=CCc1cc(/C=C2/S/C(=N/C)N(C)C2=O)cc(OCC)c1OCc1cccc(C)c1 1084615435 XDXBQOFZMINSAR-ZBNITPKASA-N 436.577 5.233 30 10 IKEE COC(=O)c1ccc(O)c(N/C(=N/Cc2cccc3ccccc23)NCc2cccs2)c1 1088665136 RQYWMMATOXAEKA-UHFFFAOYSA-N 445.544 5.151 30 10 IKEE C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)OC)[C@@H]1CCc1ccoc1CN1CCCC[C@@H]1C 1565535497 KXDYHZVEOJTNPL-GGWSXEBCSA-N 441.656 6.539 30 10 IKEE O=C1/C(=C\c2ccc(Cl)cc2)S/C(=N/N=C/c2cccs2)N1Cc1ccco1 1615301627 MUGUXGVPZXRJBH-LDDSPRMQSA-N 427.938 5.501 30 10 IKEE CC1=C(c2ccccc2)[C@H]2[C@](C)(C1=O)[C@@]1(C)C(=O)[C@@]2(C)C(c2ccccc2)=C1c1ccccc1 1616048134 PPAHKOHUGHVCKH-PNEQTXRNSA-N 444.574 6.885 30 10 IKEE Cc1ccc(C(=O)ON=C2C[C@@]3(C(=O)Nc4cc(C)ccc4C)CC[C@@]2(C)C3(C)C)cc1 1772722618 LKMOHWURIQZLGD-KAYWLYCHSA-N 432.564 5.980 30 10 IKEE Cc1ccccc1/C=C1\SC(=NN=Cc2ccc([N+](=O)[O-])cc2)N(Cc2ccco2)C1=O 1772759762 XXBOMPNRPGYMIM-VSVFQZKGSA-N 446.488 5.003 30 10 IKEE Fc1ccc(NC(=S)N/N=C\c2cn(-c3ccccc3F)nc2-c2ccccc2)cc1 1857810805 QWKNMGUXTRCTJK-WGARJPEWSA-N 433.487 5.138 30 10 IKEE Cc1cccc(NC(=O)Oc2cccc3c(NC(=O)c4cccc(C#N)c4)cccc23)c1C 1858780122 KQMVKKQYYZZQBU-UHFFFAOYSA-N 435.483 6.192 30 10 IKEE CC(C)(C)c1ccc(C(=O)Nc2cc(NC(=O)c3cccc(C#N)c3)ccc2Cl)cc1 1860461831 UUKPYIPCWLCWSE-UHFFFAOYSA-N 431.923 6.014 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)Nc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1 1860862369 FHICTKFMLXPIOM-UHFFFAOYSA-N 440.286 5.378 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)/C=C/c1cc(OC)ccc1OC 1861730097 XNRSIUCDTPYBCF-BUVIUBTMSA-N 446.632 5.259 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862384721 YXYMIVFQBFJDPW-SFHVURJKSA-N 449.290 5.136 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2cccc(C)c2)cc1 1862389234 AZRNSYKFJHPXRV-DEOSSOPVSA-N 435.564 5.341 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862414187 UKMCKLJILDWAFH-VOIUYBSRSA-N 447.481 5.867 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1c(Cl)cccc1Cl 1862417022 UZCPPTROMPHORX-KRWDZBQOSA-N 426.246 5.260 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccc(F)cc2F)cc1 1862477781 RNJHKHXUDCULLJ-QHCPKHFHSA-N 437.486 5.742 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccc(C)c2)c1 1862478544 JMTHLZKBGUDMNV-RUZDIDTESA-N 441.527 5.481 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCc2cccs2)cc1 1862489541 XHWRSKGQOGVKIH-XMMPIXPASA-N 445.584 5.748 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@H]2c2ccccc2C)c1 1862490379 UMWGHPIXDIHFLU-VWLOTQADSA-N 441.527 5.269 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc([N+](=O)[O-])cc1 1862491794 BVEORKCXKWWKCJ-JOCHJYFZSA-N 436.508 5.370 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(Br)cc1 1862496255 GMBYMAKFVZYLFQ-MGPUTAFESA-N 442.353 5.443 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862510789 HZWAYCWQHRSMPH-ZHRRBRCNSA-N 425.500 5.300 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1ccccc1F 1862515007 OFMZSFIOLMZSBH-QHCPKHFHSA-N 439.527 5.773 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2c(F)cccc2Cl)cc1 1862518338 HOPPOXADJVUHIN-FQEVSTJZSA-N 429.875 5.009 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2[C@H](C)CC)cc1 1862550092 CRRSPQNKMOVWIZ-CJAUYULYSA-N 447.575 5.731 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1cccc2ccccc12 1862561413 PQFDMYXCZVOPKB-LAMXGVLKSA-N 440.543 5.579 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccccc1Cl 1862595785 PUOFLBZJWDOULD-YFZFPPMRSA-N 425.912 5.203 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccccc2)cc1 1862614405 CGJUUWDNLTUTJU-DEOSSOPVSA-N 431.576 6.285 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(N(C)C)cc1 1862615771 NIFAPTFAENYZQI-XMMPIXPASA-N 448.607 5.675 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1ccc(F)cc1F 1862639918 AIHZOZZZKAGSQL-NRFANRHFSA-N 447.453 5.271 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1c(Cl)cccc1Cl)c1cccc2ccccc12 1862657820 JZRSBGLIBJVTMB-NRFANRHFSA-N 438.310 5.887 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(F)cc2)=C(O)C(=O)N1CCCCc1ccccc1 1862674976 ZDCUVXZDUHALQZ-RUZDIDTESA-N 443.518 5.735 30 10 IKEE Cc1cc(C2=C(Nc3ccccc3C#N)C(=O)N(c3cccc(Cl)c3C)C2=O)ccc1F 1863085572 ULABFJCYWQDKPW-UHFFFAOYSA-N 445.881 5.364 30 10 IKEE CC[C@@H](NC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866991532 NPHBMHDPXCXYPE-WOJBJXKFSA-N 432.351 5.138 30 10 IKEE CC(C)(C)c1nc(Nc2cccc(C#N)c2)cc(N2CCC[C@@H]2Cc2ccc(Cl)cc2)n1 1868333741 RZTWAPNJOOJVBA-JOCHJYFZSA-N 445.998 6.254 30 10 IKEE C=CCN(CC=C)c1cc(N2C[C@@H](C)Cc3cc(OC)ccc32)nc(Cc2ccccc2)n1 1869076659 OSENZIQDSQZWTM-NRFANRHFSA-N 440.591 5.585 30 10 IKEE CCCCCCCCn1cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)c(O)cc1=O 1870123515 KBBGOGAIHJIVQM-UHFFFAOYSA-N 446.591 5.757 30 10 IKEE CCCCCCCOc1cn(CCc2ccccc2)c(CSc2ccccc2)cc1=O 1870252378 PVLRHBKIHHERJP-UHFFFAOYSA-N 435.633 6.733 30 10 IKEE CCCCCCCCn1cc(OCc2c(C)cc(C)cc2C)c(=O)cc1CN1CCCC1 1870379138 DIDQOMGDWSNLLO-UHFFFAOYSA-N 438.656 6.309 30 10 IKEE CCCCCCCCn1cc(OCC2CCCCC2)c(=O)cc1CN1C[C@@H](C)C[C@@H](C)C1 1870482672 DIQGRXKVRMIAAO-PSWAGMNNSA-N 444.704 6.646 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCOC(C)C)cn1CCCCCCCCCC 1870549262 YGKGQIHOQIRGOO-UHFFFAOYSA-N 446.676 5.967 30 10 IKEE C=CCOc1cn(CCc2c[nH]c3ccccc23)c(CNc2ccc(C(C)C)cc2)cc1=O 1870808916 GYHDQDFXECIWAE-UHFFFAOYSA-N 441.575 5.873 30 10 IKEE CCCCCCCCCCn1cc(OCCCCC)c(=O)cc1CNc1cccc(F)c1 1871132062 HEDXZWBDPHGSGH-UHFFFAOYSA-N 444.635 7.309 30 10 IKEE CCc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCc2ccc(F)cc2)C4)cc1 1871344823 YBWSMZKBRIIFNV-MYYYXRDXSA-N 443.518 5.707 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O3)CN(Cc1ccccc1F)CO2 1871346977 NQNNGQHITJXQJP-MXAYSNPKSA-N 443.518 6.226 30 10 IKEE CCOc1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccs2)C3=O)cc1 1871380013 RROXDWNOKFAJPY-MZGCFZMMSA-N 432.497 5.690 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)cc1 1871407437 LJQLQYBMXDKFSS-AOBKZXEFSA-N 442.515 5.083 30 10 IKEE CCOc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 1871452080 CNNUAQMWXABTGK-QRVIBDJDSA-N 447.462 5.167 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(F)cc4)ccc3C2=O)cc1 1871456390 BRNNFLPJPLFRPR-CFRMEGHHSA-N 431.463 5.583 30 10 IKEE C=CCN(CC=C)c1nc(=NCc2ccccc2Cl)[nH]c(=Nc2ccccc2C(C)C)[nH]1 1871495717 YYGHKTRCEGWFJP-UHFFFAOYSA-N 449.002 5.026 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(OCC)cc2)[nH]c(N2CCC[C@@H](C)C2)n1 1871529739 JQPHUZGQHNZUOE-HXUWFJFHSA-N 440.636 5.445 30 10 IKEE COc1cccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccccc3Cl)n2)c1 1872761969 AEPSCONIGWJLQG-QGZVFWFLSA-N 426.925 5.508 30 10 IKEE CCCCCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 1872763136 FVNTZQLGXUPUSE-NRFANRHFSA-N 449.532 6.167 30 10 IKEE COc1ccc(C)cc1-c1csc([C@@H](C#N)C(=O)CCCOc2ccc(Cl)cc2)n1 1872771477 VKLIVCIQQQDTOJ-IBGZPJMESA-N 440.952 5.816 30 10 IKEE COc1ccc(C)cc1-c1csc([C@H](C#N)C(=O)Cc2cc(Cl)ccc2Cl)n1 1872772792 SZEISHSTGJNCMI-MRXNPFEDSA-N 431.344 5.853 30 10 IKEE COc1cc(OC)c(-c2csc([C@H](C#N)C(=O)Cc3ccc(C)c(C)c3)n2)cc1Cl 1872783425 ZMNCSRJQRUUPKZ-QGZVFWFLSA-N 440.952 5.517 30 10 IKEE COc1c(C)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)CCOc2ccccc2)n1 1872786841 UGCLUJPIQXNFLO-SFHVURJKSA-N 426.925 5.426 30 10 IKEE Cc1cc(C)c(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccccc3C(C)C)n2)c(C)c1 1872786983 YDMVIHAQIQAYGU-TZIWHRDSSA-N 432.589 6.503 30 10 IKEE CCCc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 1872787333 HKXFQFUHFFKXDB-SFHVURJKSA-N 445.371 6.325 30 10 IKEE C=CCc1ccccc1OCc1cccc(C(=O)NCc2cccc(C(F)(F)F)c2)c1 1872834162 NRSHVHJFNIXDGG-UHFFFAOYSA-N 425.450 5.943 30 10 IKEE C=CCc1ccccc1OCc1cccc(C(=O)Nc2cccc(OC(F)(F)F)c2)c1 1872834197 PSDKFJBAHQYIIP-UHFFFAOYSA-N 427.422 6.145 30 10 IKEE C=CCc1ccccc1OCc1cccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)c1 1872846522 HFUCIBVRCUUPPS-UHFFFAOYSA-N 447.578 6.837 30 10 IKEE CCCCCCCCN1C[C@@H](C(=O)N2CCC[C@H]2c2nc3ccccc3s2)CC1=O 1872967751 OQQCZSUXRHQDRF-ICSRJNTNSA-N 427.614 5.169 30 10 IKEE CCCCCCCCN1C(=O)C(NC2CCCCCCC2)=C(c2ccc(F)cc2)C1=O 1873137419 FHOISAHYNSXDMS-UHFFFAOYSA-N 428.592 5.969 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cccc(C)c2C)=C(c2ccccc2C)C1=O 1873303288 WUFOQSLKVLCNNQ-UHFFFAOYSA-N 446.635 6.945 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(C)c2C)=C(c2cc(F)cc(F)c2)C1=O 1873318531 VPCVCORKLAIRID-UHFFFAOYSA-N 440.534 6.134 30 10 IKEE COc1ccc(/C=N/Nc2nc3ccccc3[nH]2)cc1OCc1ccc(Cl)cc1Cl 1873499066 AZFUBCXJJYYGIF-BRJLIKDPSA-N 441.318 5.903 30 10 IKEE C=CCOc1ccccc1OCc1nc2ccccc2n1CC(=O)Nc1ccc(CC)cc1 1873517935 CREFSULXNLUKHJ-UHFFFAOYSA-N 441.531 5.381 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(OCC)cc2)cc2c(NCCCCCCCC)ncnc21 1873621484 SSKNKOKNYQXIJB-UHFFFAOYSA-N 449.599 6.041 30 10 IKEE O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1873723617 XBLJETOLPFKFMJ-UHFFFAOYSA-N 448.382 5.258 30 10 IKEE CCCCCCCCNC(=O)c1cn(CCc2ccc(OC)cc2)c(=O)c2ccccc12 1873886425 VIKNMRCZPXJBNA-UHFFFAOYSA-N 434.580 5.343 30 10 IKEE C=CCSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1sccc1C 1874198784 SEDQORMXWUTABN-KOEQRZSOSA-N 448.617 5.973 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccc(C)cc1 1874214296 FKEJOYLKKSBFNG-LFVJCYFKSA-N 428.989 5.636 30 10 IKEE C=CCSc1nnc(CCc2cccc(OC)c2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874310898 SVFZFCFXFLLUEE-CVKSISIWSA-N 446.498 5.251 30 10 IKEE C=CCSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1ccccc1OCCC 1874327571 AFWYIQBFZRSESP-PCLIKHOPSA-N 436.581 5.423 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2-c2ccccc2Cl)cc1 1874366505 XJSPYJKWMSPCEC-DHRITJCHSA-N 438.915 5.618 30 10 IKEE Fc1ccccc1CSc1nnc(-c2ccccc2Cl)n1/N=C/c1cccs1 1874368091 NQHMMTIOTFRGIH-FSJBWODESA-N 428.945 5.974 30 10 IKEE Cc1ccc(/C=N/n2c(COc3ccccc3)nnc2SCc2cc(C)ccc2C)cc1 1874384176 CDEVZVUGICFYFL-JVWAILMASA-N 442.588 5.957 30 10 IKEE Clc1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2ccc[nH]2)cc1Cl 1874424278 CTGDVJHHRYOSMQ-LSHDLFTRSA-N 434.377 5.816 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2-c2cccs2)cc1 1874424503 OYDVEFUGFGTKRN-ZVHZXABRSA-N 439.009 6.397 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccccc3C)nnc2-c2ccccc2)c1OC 1874426087 QOHVXZLLDRZLKC-WGOQTCKBSA-N 444.560 5.445 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2-c2ccccc2)cc1 1874426871 FDPHOZDTTPVJMP-YZSQISJMSA-N 428.561 5.827 30 10 IKEE Cc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SCC(=O)Nc2c(C)cccc2C)c1 1874438217 PMPLTICQRFZUIJ-CVKSISIWSA-N 449.624 5.405 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(O)cc1O 1874440638 MCRDDSXSFMMSMV-FSJBWODESA-N 430.961 5.106 30 10 IKEE COCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1cccs1 1874473018 IWHYEBBIRXYNRQ-KEBDBYFISA-N 427.382 5.010 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1cc(C)ccc1O 1874480832 LQXOIECQUKQIMW-WYMPLXKRSA-N 432.952 5.602 30 10 IKEE CCCCCCOc1ccc(/C=N/n2c(S)nnc2CCc2cccs2)cc1OC 1874561846 NJNYBQJIIMDHSR-XQNSMLJCSA-N 444.626 5.263 30 10 IKEE Cc1ccccc1OCCCc1nnc(S)n1/N=C/c1cccc(Oc2ccccc2)c1 1874567286 OPSMMKVCXFDTIA-NLRVBDNBSA-N 444.560 5.561 30 10 IKEE O=C(/C=C/c1c(OCc2ccccc2F)ccc2ccccc12)c1cccc([N+](=O)[O-])c1 1874570232 SQTFGCZYJBQQIX-BUHFOSPRSA-N 427.431 6.362 30 10 IKEE O=C(COc1ccc(Br)cc1/C=C/C(=O)c1ccccc1)NC1CCCCC1 1874578289 GGSGEZREFNGSII-ACCUITESSA-N 442.353 5.173 30 10 IKEE Cc1ccccc1COc1ccc2ccccc2c1/C=C/C(=O)c1ccc2c(c1)OCCO2 1874582027 SDOVHFJTNPAPPS-OUKQBFOZSA-N 436.507 6.395 30 10 IKEE O=C(/C=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)c1ccc(F)cc1 1874583908 MJWBVAYKYFEIIP-CCEZHUSRSA-N 427.431 6.362 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1 1874594794 CWQIKJBSGCRATE-AWNIVKPZSA-N 445.515 5.234 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(Br)c2)cc1OCCC 1874612555 AABAYBMTDSNHLC-RMKNXTFCSA-N 433.342 5.931 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OCCc3ccccc3)c(Br)c2)cc1 1874623927 CRPOSJBAKMOGTK-RIYZIHGNSA-N 449.388 7.090 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3c(F)cccc3Cl)cc2)c(OC)c1 1874633283 VAEPEWRSVUCWKO-MDWZMJQESA-N 426.871 5.971 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc1 1874638657 LKEXTXZLZAAQKU-XYOKQWHBSA-N 429.944 5.272 30 10 IKEE COc1cccc(C(=O)/C=C/c2cccc(OC(=O)[C@H](C)Oc3ccc(Cl)cc3)c2)c1 1874695126 LWCIXIWPOORKHL-ZGUWOUCSSA-N 436.891 5.618 30 10 IKEE O=C(Cc1ccc(Cl)c(Cl)c1)Oc1cccc(/C=C/C(=O)c2ccc(F)c(F)c2)c1 1874709416 GKWPBFVZUYGSBF-WEVVVXLNSA-N 447.264 6.316 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cccc(OC)c2)cc1Br 1875102547 WMIXKUOCTSKXBY-ACCUITESSA-N 445.353 6.230 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc([N+](=O)[O-])c1OC(=O)c1ccccn1 1875103128 MCXOEQPTTQJSLQ-JLHYYAGUSA-N 446.459 5.066 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)cc2F)c(Br)c1)c1ccccc1 1875127274 WUAQALOYQFDWCT-UXBLZVDNSA-N 443.243 5.843 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2[N+](=O)[O-])cc1 1875127288 XMNWQRIDTINJNN-RVDMUPIBSA-N 445.471 5.564 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc(Cl)c1OC(=O)C(C)(C)C 1875133764 AYDRNEGUJQYIDR-VMPITWQZSA-N 441.738 6.503 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cccs3)c(Cl)c2)cc1 1875148122 BMVJLYKBRSKZKM-WUXMJOGZSA-N 438.976 6.743 30 10 IKEE CCCC(=O)Oc1c(OCC)cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1[N+](=O)[O-] 1875166674 DEKITFHFNNJBDF-PKNBQFBNSA-N 441.480 5.221 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)Cc1ccc(C)cc1 1875184524 FOSXUMGSJMLOLV-ZRDIBKRKSA-N 428.528 5.973 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cc(Cl)c(OC(=O)C(F)(F)F)c(OC)c1 1875192071 SGXHLJYKTDDJGS-HWKANZROSA-N 449.208 5.374 30 10 IKEE O=C(Nc1ccc(C(F)(F)F)c(F)c1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 1889205805 LCZJSICTIBFUMH-UHFFFAOYSA-N 435.343 5.113 30 10 IKEE C=C(COCc1ccccc1)[C@H](CCc1ccc(NC(=O)OC(C)(C)C)cc1)NCCC 1922079432 FSRSDJOJYVHDLY-VWLOTQADSA-N 438.612 6.107 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCC[C@@H]2CNC(=O)OC(C)(C)C)cc1 1944589391 QBKYWYJBJFSBBM-KOSHJBKYSA-N 429.561 5.324 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@H](CNC(=O)OC(C)(C)C)CC(C)C)c1 2033648791 IUHANJVNDWRSNA-CTNGQTDRSA-N 445.604 5.816 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCC1)[C@H](C#N)c1ccc(Br)c(Cl)c1F 2036852238 ZEGLLMGMPJKACV-CQSZACIVSA-N 431.733 5.986 30 10 IKEE N#Cc1c(C=Cc2ccc3c(c2)OCCO3)cc(-c2ccccc2)n2c1nc1ccccc12 2040461398 OFLWHDSRSVAYBP-UHFFFAOYSA-N 429.479 5.968 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@@]2(C)CCN2C(=O)OC(C)(C)C)cc1 2045192624 QSDIVFXGKUXMHQ-DNQXCXABSA-N 445.560 5.118 30 10 IKEE COc1cc(-c2nc3ccccc3n2CC#N)ccc1OCc1c(Cl)cccc1Cl 2060397881 XRGPXRGMIVTHLD-UHFFFAOYSA-N 438.314 6.121 30 10 IKEE ON=Cc1c(C2CC2)nn([C@H](c2ccc(C(F)(F)F)cc2F)C2CC2)c1Br 2079903856 OGZWJFAEYUFMOH-INIZCTEOSA-N 446.242 5.488 30 10 IKEE COc1ccc([C@@H](n2nc(C(F)(F)F)c(C#N)c2Br)C(C)(C)C)c(F)c1 2080070339 CKBRCXGVFXDIKD-CQSZACIVSA-N 434.231 5.319 30 10 IKEE Oc1c2c(nc3c(-c4cc(F)cc(C(F)(F)F)c4)c(C(F)(F)F)nn13)CCSC2 2081479259 CGWQLWLUXFCELD-UHFFFAOYSA-N 437.340 5.068 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(Cl)ccc(Br)c1F 2122139561 SZILBWSSHJYERS-PBHICJAKSA-N 449.792 5.752 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@@]2(C#N)Nc2ccccc2Br)C1 2156252957 ZSGGQCORILLHEN-RTWAWAEBSA-N 434.378 5.325 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)C1(C#N)CC2(C[C@H]3CC[C@H]2C3)C1 2156641933 QCPKRQSBZFEELT-TUKZGULFSA-N 431.374 6.053 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(C)cc(Br)c1F 2159127570 HURKSNGWZHNKAA-IEBWSBKVSA-N 441.385 5.244 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CC(Nc1ccc(C#N)c(Br)c1F)C2 2162305839 HLEUCDFKFOJWNZ-GJZGRUSLSA-N 438.341 5.192 30 10 IKEE CC1(C)CCC[C@@H]([C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)C1 2168591577 KEEQIWOZRCQGLD-OPAMFIHVSA-N 435.406 6.689 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)C(C)(C)[C@H](CC)NC(=O)OC(C)(C)C 2235731443 QKSCFPJNVMHCPD-RBUKOAKNSA-N 437.422 5.108 30 10 IKEE C=C(CC)C[C@@H](NCCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237421539 HZMKEVNFPPDEEB-UXHICEINSA-N 439.438 5.609 30 10 IKEE C=C1CCC(C[C@H](NC)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)CC1 2248454607 VSGVGCYOVNPJED-QHCPKHFHSA-N 428.617 5.165 30 10 IKEE CCCN[C@@H](C#CC1CCCC1)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2260992309 XZAZYIPCZMJRIU-DEOSSOPVSA-N 440.628 5.002 30 10 IKEE Cc1c(Br)sc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)c1C 2265882018 KTTSMVUFOOXPBP-HNNXBMFYSA-N 439.350 6.273 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1cc(Br)cc(C(C)C)c1 2266000967 OYBPDRDAIINKQO-OALUTQOASA-N 425.411 5.693 30 10 IKEE O=C(N[C@H](C(=O)C#Cc1ccccc1Br)c1ccccc1)OCc1ccccc1 2268310044 UEEZQLBNABNFQV-QHCPKHFHSA-N 448.316 5.037 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCCCN)c1ccc(Cl)c(Br)c1F 2276532850 NIZVKJWMROFFAR-HXUWFJFHSA-N 442.756 5.421 30 10 IKEE CCCN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1c(Br)cccc1C#N 2285190245 QJEJVJUDTAKOFU-INIZCTEOSA-N 436.394 5.184 30 10 IKEE C=C(C)CCCC[C@@H](OCCCN)c1scc(Br)c1Br 2292789011 BPTAVYAYBAAMCJ-CYBMUJFWSA-N 425.230 5.816 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)C(CC)(CC)CNC(=O)OC(C)(C)C 2296310386 JBYZRKIZXMQTNY-IBGZPJMESA-N 437.422 5.110 30 10 IKEE O=C1C(=CNc2ccc(Cl)cc2)S(=O)(=O)N(Cc2ccc(F)cc2)c2ccsc21 2297378485 VGDVAEUDLMEFMW-UHFFFAOYSA-N 448.928 5.027 30 10 IKEE CCN(CC)c1ccc(C=C2SC(=Nc3ccccc3)N(C3CCCCC3)C2=O)cc1 2313540853 XUJPLNYHMYEWOT-UHFFFAOYSA-N 433.621 6.470 30 10 IKEE CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C=Cc3ccc(Cl)c([N+](=O)[O-])c3)c2C#N)C1 2313724536 GBLCUTYJTVSVMN-CQSZACIVSA-N 443.956 5.984 30 10 IKEE C=CCCC1([C@H](NC)c2ccc(OCc3ccccc3)cc2)CN(C(=O)OC(C)(C)C)C1 2314472699 SSBVUKJHHXRKRZ-XMMPIXPASA-N 436.596 5.729 30 10 IKEE C=CCOc1ccccc1C=C1SC(=Nc2nc(-c3ccccc3)cs2)N(C)C1=O 2314543912 OYVSEQOSWGYODU-UHFFFAOYSA-N 433.558 5.609 30 10 IKEE C=CCN1C(=O)C(=C(C)c2ccc(Br)cc2)SC1=Nc1nc(C)cs1 2314543952 PRPPYPQVETYNID-UHFFFAOYSA-N 434.384 5.394 30 10 IKEE Cc1c(OCc2ccc(F)cc2)ccc2c1OC(=Cc1c(Cl)cccc1Cl)C2=O 2321802026 BMVMSBYKJSPGEH-UHFFFAOYSA-N 429.274 6.636 30 10 IKEE COc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccc(Cl)cc2)C4)cc1 2321957276 DWXGWHFRFMQCQT-UHFFFAOYSA-N 447.918 5.625 30 10 IKEE Cn1cc(C=C2Oc3c(ccc4c3CN(Cc3ccccc3F)CO4)C2=O)c2ccccc21 2322056877 HCYOEHHACSJDHO-UHFFFAOYSA-N 440.474 5.286 30 10 IKEE COc1cccc(C=C2Oc3c(cc4c(c3C)OCN(CCc3ccccc3)C4)C2=O)c1 2322286953 POUZWHWNMOKFCK-UHFFFAOYSA-N 427.500 5.014 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2c(F)cccc2Cl)cc1 2322356767 IQWTYLKVWJFTEB-UHFFFAOYSA-N 429.318 7.170 30 10 IKEE COc1ccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3cccc(Cl)c3)C4)C2=O)cc1 2322424158 VBVVEKYJTGXUMS-UHFFFAOYSA-N 447.918 5.625 30 10 IKEE Cc1ccsc1C=C1Oc2c(cc3c(c2C)OCN(Cc2cccc(Cl)c2)C3)C1=O 2322426704 CZMOGMNTCDVVNF-UHFFFAOYSA-N 437.948 5.987 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccco1)C3=O)CN([C@@H](C)c1ccc3c(c1)CCCC3)CO2 2322450205 XICVTGMSTXNXPF-SFHVURJKSA-N 441.527 5.996 30 10 IKEE CC1(C)OB([C@]23C[C@@H]2CCN(Cc2sc(Cl)cc2Br)C3)OC1(C)C 2322532329 GVWLBWHRNRYXSJ-GTNSWQLSSA-N 432.620 5.222 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(Cl)cc2)c1OCc1c(Cl)cccc1Cl 2322542315 XSXZJLHPMJETQQ-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE CCc1ccc(NC(=O)COc2ccccc2C=CC(=O)c2ccc(OC)c(F)c2)cc1 2322705134 YBLGXGPSGRCBEC-UHFFFAOYSA-N 433.479 5.310 30 10 IKEE CCOc1c(Br)cc(C=NNc2ccc(C)c(C)c2)cc1Br 2322922534 OPJMFOPEBKLKDY-UHFFFAOYSA-N 426.152 5.673 30 10 IKEE O=C(CCCOc1ccccc1)Oc1ccc2c(c1)OC(=Cc1cccc(Cl)c1)C2=O 2323177736 KNMUMDSBSBKLRX-UHFFFAOYSA-N 434.875 5.721 30 10 IKEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CCC(C)(C)C[C@@H]1CNC(=O)OC(C)(C)C 2323299582 HMDMONIKDHRLJH-QFQXNSOFSA-N 444.616 5.239 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc3C2=O)cc1 2323399742 QMMKCNSMSREYQE-UHFFFAOYSA-N 434.491 6.167 30 10 IKEE Cc1c(OC(=O)C=Cc2cccs2)ccc2c1OC(=Cc1ccc(C(C)C)cc1)C2=O 2323530477 NRIFZKWDQJOJKD-UHFFFAOYSA-N 430.525 6.415 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cc(C)cc(C)c3)cc2)cc1 2323536445 WVDKZAIBDTVYTD-UHFFFAOYSA-N 441.571 6.560 30 10 IKEE Cc1cc(OC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1ccccc1)O2 2323710462 RQFICXFIKDVCCT-UHFFFAOYSA-N 448.902 6.028 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2323791358 WFNFBLQZVLBBJP-UHFFFAOYSA-N 434.875 5.883 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3C)c(OC)c2)cc1F 2324124222 GPBYWNXMLRCVDH-UHFFFAOYSA-N 449.478 5.065 30 10 IKEE Cc1cccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4c(C)cc(C)cc4C)ccc3C2=O)c1 2324331673 HFORJPZPLQUKQN-FQEVSTJZSA-N 441.527 5.942 30 10 IKEE CCCNC(=O)COc1c(Cl)cc(C=CC(=O)c2ccc(C)c(C)c2)cc1OCC 2324451710 SPTHOVLKXKWLKF-UHFFFAOYSA-N 429.944 5.157 30 10 IKEE C=CCOc1c(OCC)cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc1[N+](=O)[O-] 2324518291 OWVCQPWEVPVJQL-UHFFFAOYSA-N 431.872 5.425 30 10 IKEE CCOc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(C)o2)C3=O)cc1 2324521264 BHYNZLLIFUVYKU-INIZCTEOSA-N 433.460 5.009 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OCc2cccc(F)c2)c(Cl)c1 2324534915 OBHQQLVNBZYRAO-UHFFFAOYSA-N 445.317 6.925 30 10 IKEE Cc1cccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccc(C#N)cc4)cc(C)c3C2=O)c1 2325306828 VXVCVCSTCHNRJG-GOSISDBHSA-N 438.483 5.197 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccccc1Cl)C2=O 2325502714 OFQWRJTTWVHNQA-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2325554499 FCZBFKWLROQDDR-UHFFFAOYSA-N 443.960 5.584 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(OC)c(OC)c1 2325565234 XVIDKSMLEIHECK-UHFFFAOYSA-N 430.961 5.076 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(Cl)c(Cl)c3)c2)cc1 2325750640 MZIAJLQIGQQBCS-UHFFFAOYSA-N 439.338 7.232 30 10 IKEE COc1cc(C(=O)C=Cc2ccc(OC)c(OC(=O)CC(C)(C)C)c2)c(OC)cc1Cl 2325758641 NPKLUBZTDBYNLJ-UHFFFAOYSA-N 446.927 5.604 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)CCCOc3ccccc3C)c2)c(C)c1 2325764703 UBNHNDPAUCIPPJ-UHFFFAOYSA-N 442.555 6.581 30 10 IKEE Cc1nnc(SCc2cccc3ccccc23)n1N=Cc1cccc(C(F)(F)F)c1 2326632757 VYORSOHIBCBIBG-UHFFFAOYSA-N 426.467 5.933 30 10 IKEE CCOc1ccc(C=Nn2c(CCc3ccc(C)c(C)c3)nnc2SCC)cc1OC 2328941412 ISLQWQFQULBPKC-UHFFFAOYSA-N 438.597 5.082 30 10 IKEE CCOc1ccc(C=Nn2c(Cc3ccc(Cl)cc3)nnc2SCC)cc1OCC 2329097203 WJYZSKMHCZGTHI-UHFFFAOYSA-N 444.988 5.314 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2N=Cc2ccccn2)cc1 2329382865 JNKIGGYTBLKOPY-UHFFFAOYSA-N 427.577 5.364 30 10 IKEE Cc1ccc(C(=CC(=O)N[C@@H](C(=O)Nc2ccccc2C#N)c2ccccc2)C2CC2)cc1C 2329603353 MHAPZBRXMJHCSJ-MUUNZHRXSA-N 449.554 5.465 30 10 IKEE Cc1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2[C@H](C)c2ccccc2)cc1 2330078564 RHRJCIAUXGAMFH-LJQANCHMSA-N 430.552 6.052 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc[nH]1 2330123468 LGDOMHHJUIPNBG-IBGZPJMESA-N 437.572 6.086 30 10 IKEE O=[N+]([O-])c1ccc(C=Nn2c(CC3CCCCC3)nnc2SCCc2ccccc2)cc1 2330275700 DERLASOKKDSIIA-UHFFFAOYSA-N 449.580 5.526 30 10 IKEE Oc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2-c2cccs2)cc1O 2330586380 IJMVOQMULDHEEF-UHFFFAOYSA-N 442.953 5.246 30 10 IKEE Fc1cccc(Cl)c1C=Nn1c(SCCc2ccccc2)nnc1-c1cccs1 2330586528 NGNXESHOPVDGCD-UHFFFAOYSA-N 442.972 6.016 30 10 IKEE Cc1ccc(CSc2nnc(CC(C)(C)C)n2N=Cc2cc(Cl)ccc2O)cc1 2330800554 CNMFYMMJHMSQLA-UHFFFAOYSA-N 428.989 5.709 30 10 IKEE CCSc1nnc(CC(C)(C)C)n1N=Cc1ccccc1OCc1ccccc1Cl 2330832798 VKHPPXQEHMLIGV-UHFFFAOYSA-N 443.016 6.093 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(CCCC)cc2)cc(OC)c1OC(=O)CCOC 2330845688 PLMCNCAYWLMRES-UHFFFAOYSA-N 436.548 5.604 30 10 IKEE COc1cc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccccc2Cl)ccc1O 2330846593 QRLMTCKDYQDZCY-UHFFFAOYSA-N 444.988 5.409 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(C3CCCC3)n2N=Cc2c[nH]c3ccccc23)cc1 2331051108 QIKHCTWDJPOGQI-UHFFFAOYSA-N 446.536 5.500 30 10 IKEE CCCOC(=O)CSc1nnc(C2CCCC2)n1N=Cc1ccc(Cl)cc1Cl 2331101183 WDFBMYQCBXQICZ-UHFFFAOYSA-N 441.384 5.170 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1cccc2ccccc12 2331157227 IVFSOZVAFSIBKU-UHFFFAOYSA-N 442.898 6.617 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C(F)(F)F)cc1 2331157243 LXPGWCGCBWMEBR-UHFFFAOYSA-N 440.878 5.524 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2ccccc2F)nnc1-c1ccco1 2331210611 YXBAMYCAFDPXTQ-UHFFFAOYSA-N 434.496 5.417 30 10 IKEE C=CCSc1nnc(-c2ccco2)n1N=Cc1ccc(N(CC)Cc2ccccc2)cc1 2331214826 MQLXXDISKXPXGW-UHFFFAOYSA-N 443.576 5.725 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)Cc1cccs1 2331251289 NSJROZROWLAXRC-UHFFFAOYSA-N 447.339 6.108 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)c(Cl)c2)c1 2331320164 LDWIUZTXLLZTFR-UHFFFAOYSA-N 448.990 6.975 30 10 IKEE COc1cccc(OCC(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2OC)c1 2331331244 ZEFKMOMXQUGKRQ-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1 2331396620 VTMBAXWGSCCGPN-UHFFFAOYSA-N 448.902 5.546 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)COCc3ccccc3)c(Cl)c2)cc1 2331496443 XYVWLOOLOKNKOI-UHFFFAOYSA-N 448.946 6.482 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)cc2F)c([N+](=O)[O-])c1)c1ccc(F)cc1 2331530283 PGXUOQTXZLZGRM-UHFFFAOYSA-N 427.334 5.127 30 10 IKEE O=C(COCc1ccccc1)Oc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1Cl 2331557650 VXUBUEWNSVBGEO-UHFFFAOYSA-N 442.845 5.637 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)c1ccc(F)cc1 2331668631 FSFCNGHHWBMKEN-UHFFFAOYSA-N 448.490 5.965 30 10 IKEE COc1cc(C(=O)C=Cc2ccc(OC(=O)CC3CCCCC3)cc2)c(OC)cc1Cl 2331687123 JATXNANUMRQHBL-UHFFFAOYSA-N 442.939 6.129 30 10 IKEE CC1(C)OB(c2ccc(Nc3cccc(Br)c3Cl)c(C#N)c2)OC1(C)C 2364756946 AWFXKORCMQAARM-UHFFFAOYSA-N 433.542 5.017 30 10 IKEE Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccc(F)cc3)C(C#N)(C#N)[C@@H]3c4ccccc4C=CN23)cc1 711385 AYHFYRCMZUUNLD-OBDYRVMHSA-N 433.486 5.544 30 10 IKEE O=C1ON=C(c2ccccc2)/C1=C/c1ccc(OCc2ccc(Br)cc2)cc1 12376589 DWSVNSQDALKEOT-STZFKDTASA-N 434.289 5.373 30 10 IKEE CCCCCCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CCC3)cc1 14041137 WOZFJKRIWVGQHI-UHFFFAOYSA-N 427.595 5.194 30 10 IKEE Cc1ccc(C2=NN(c3ccc(/C=N/c4ccccc4F)cc3)[C@@H](c3ccccc3)C2)cc1 15772831 WHPCSHNFGSWYSJ-NQFKHPPRSA-N 433.530 7.240 30 10 IKEE CCOc1cccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(Cl)c(Cl)c2)C3)c1 21223292 XFPRGJWLDCEMJE-RDJZCZTQSA-N 430.331 5.396 30 10 IKEE CCc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(OC)c2O)cc1 21247198 JTYOALNOSIFUCN-UZTOHYMASA-N 440.543 5.943 30 10 IKEE Cc1noc(C)c1COc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1 22879863 FWHZBWDRFXDEAR-UHFFFAOYSA-N 444.516 5.042 30 10 IKEE CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cccc(C#N)c2)c1-c1ccc(F)cc1 25143761 VBBANXYUYTYVDZ-UHFFFAOYSA-N 441.506 6.208 30 10 IKEE CCn1nc(C)c(CN/C(=N/C(=O)c2cc(C)cc(C)c2)Nc2cc(C)cc(C)c2)c1C 32972047 DFWXPIJZOPJJPG-UHFFFAOYSA-N 431.584 5.152 30 10 IKEE COc1cc(OC)cc(-c2nnc(SCc3ccc(C#N)cc3)n2C2CCCCC2)c1 35847521 YUAPDBBOACPSBS-UHFFFAOYSA-N 434.565 5.631 30 10 IKEE O=C(/C=C/c1ccc(OS(=O)(=O)c2ccc(Br)cc2)cc1)c1ccccc1 38198377 KISDMIYGCXSOEN-OVCLIPMQSA-N 443.318 5.113 30 10 IKEE C=CCn1c(SCc2ccc(C(=O)Nc3nccs3)cc2)nnc1-c1ccccc1 39850709 FTSRSZQITCHOIF-UHFFFAOYSA-N 433.562 5.132 30 10 IKEE O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(NC(=O)c2cccs2)cc1 39850874 OLLGJDMGSUUIQM-ACCUITESSA-N 444.468 6.065 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(CC)cc1 40077094 JYBRPPBUUZSOKH-HXUWFJFHSA-N 442.353 5.390 30 10 IKEE Cc1c(OC(=O)Cc2ccccc2)ccc2c1O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 41355720 MSHHHRLGLCKLRM-JLPGSUDCSA-N 426.512 6.057 30 10 IKEE CCc1ccc(-c2cn3c(CC(=O)Nc4scc(C(C)(C)C)c4C#N)csc3n2)cc1 71555820 VTPYEAOQUNAKQA-UHFFFAOYSA-N 448.617 6.037 30 10 IKEE CCCCCCCCCCCCCCCCNC(=S)NC(=O)/C=C/c1ccccc1 100066779 JUADAFPFIFBPRR-QURGRASLSA-N 430.702 7.172 30 10 IKEE Cc1cc(N2C(=O)C(=O)/C(=C(\O)c3cc4ccccc4o3)[C@H]2c2ccc(C(C)C)cc2)no1 102733142 YQYVRQNEOWQWCO-UGUGFTGJSA-N 442.471 5.479 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(F)c2)cc1 169921701 DRSAAADWKFKWQB-NRFANRHFSA-N 437.854 5.271 30 10 IKEE CCN1C(=S)N[C@H](c2ccccc2OCc2ccc(Cl)c(Cl)c2)C(C(C)=O)=C1C 169933435 YKBGGQKIPZCBIR-OAQYLSRUSA-N 449.403 5.687 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(Oc3ccc(C)c(C)c3)cc2)NC(=S)N1C 169935205 XRGFBQBWIOFUTE-VWLOTQADSA-N 442.584 6.114 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccc(OC)c2)c1 169936846 VQWHWPYFMODSNR-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE CCCOc1ccc(/C=N\Nc2nc(-c3cccc(OC)c3)cs2)cc1Br 169940410 PYBQRGJXOWICKW-UUYOSTAYSA-N 446.370 5.816 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2OC)c(C)c1 169944504 WAWKZRVKMLUKCC-XMMPIXPASA-N 443.499 5.104 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2cccc(C)c2)c(C)c1 169970389 VZWIMKLAIYVLPT-XMMPIXPASA-N 443.499 5.104 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccc(F)cc2)s1 170062647 IFRYHVKIVMZWDP-FQEVSTJZSA-N 436.508 5.299 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@@H]2c2ccco2)cc1C 170092490 QZTBJLJPWUGKAL-HXUWFJFHSA-N 425.843 5.472 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2sccc2C)cc1 170106543 NHSKBDBRQSTJSU-HXUWFJFHSA-N 437.948 6.055 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@H]1c1ccc(OC)cc1 170116489 BGOGYQAVYNYNAW-HXUWFJFHSA-N 448.544 5.115 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccc(C)c2)ccc1Cl 170141593 NXRLANWISRFTMJ-QHCPKHFHSA-N 447.918 5.830 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2cccs2)cc1C 170158520 ZHLGQIFXPLDFHU-QFIPXVFZSA-N 433.529 5.465 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2cccnc2)c1C 170187728 PJMXJLHIHZAZGY-VWLOTQADSA-N 438.527 5.360 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccncc2)cc1 170209409 NZAJGGFYMGNAPN-XMMPIXPASA-N 448.563 5.562 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2C2CCCC2)cc1 170214615 CYLWMMSCNVOPLR-XMMPIXPASA-N 449.547 5.393 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2)[C@H]1c1cccc(OCC(C)C)c1 170219048 YQPYOXRSERUXAT-HSZRJFAPSA-N 437.536 5.108 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccc(F)cc2)c(C)c1 170238787 DFEHCJOIFFQLPB-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)(C)C)c2)[C@@H]1c1ccccc1C 170276577 BGIUDBSVPZDRRZ-DEOSSOPVSA-N 449.591 6.070 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccco2)ccc1OC(C)C 170282427 LBPDFASKHMCCCP-QFIPXVFZSA-N 435.451 5.297 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2ccco2)c1 170284211 XEEYCHLJIOBRBX-NRFANRHFSA-N 437.879 5.423 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccco2)ccc1Cl 170293161 ABEZYTGLYHCSLV-HXUWFJFHSA-N 429.900 5.243 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccco2)cc1C(C)(C)C 170295616 KXECTRIXPJRITN-JOCHJYFZSA-N 437.536 5.497 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1sccc1C 170317927 PHJDHZLONZOWPA-GOSISDBHSA-N 445.924 5.071 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C(C)(C)C)cc2)cc1 170326520 LYNOHDPMLHNHIO-JOCHJYFZSA-N 431.488 5.369 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(C(C)C)cc2)cc1 170378679 GHUXTPMOWOKVMG-RUZDIDTESA-N 440.543 6.111 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2c(C)[nH]c3ccccc23)c1 170402889 KFAZDAGGKSPHEO-QFIPXVFZSA-N 444.512 5.329 30 10 IKEE CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(OCc3ccccc3)cc2)[C@H]1c1cccs1 170476153 RKZDFZZVBQECOV-QFIPXVFZSA-N 433.529 5.452 30 10 IKEE CSc1nc(Nc2cccc(Br)c2)c(C#N)c(-c2cccc(Cl)c2)n1 243079754 IQBBQRVFUXPENW-UHFFFAOYSA-N 431.746 5.897 30 10 IKEE CC(=NOCc1ccc(C#N)cc1)c1cc(-c2ccc(F)cc2)n(-c2cccc(C)c2)c1C 254348322 IKUJVWVZVVTAAZ-UHFFFAOYSA-N 437.518 6.713 30 10 IKEE C(=Nn1c(-c2ccc(-c3ccccc3)cc2)csc1=NC[C@H]1CCCO1)c1ccccc1 254350763 RSKFGJDTOHSWPD-RUZDIDTESA-N 439.584 5.846 30 10 IKEE C=C1CC[C@@H]2C(C)(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@@H]1C(C)=CC[C@H]2C(C)(C)C(=O)CC[C@]12C 257381339 AVJMTAKTBATOTJ-SBAWBPJCSA-N 438.696 7.722 30 10 IKEE endogenous,in-man SC[C@H]1CN(Cc2ccccc2)C[C@@H]1c1cc(Br)cc(Br)c1 382727059 RCGJTRHFVPTTDW-CRAIPNDOSA-N 441.232 5.357 30 10 IKEE CCCCCCCCCCC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Br 406031634 VWNSIJRPTDVVTD-UHFFFAOYSA-N 440.422 7.510 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccc(OC)c2)c1 526487088 USXCHLHQUCLRHZ-RUZDIDTESA-N 440.499 5.413 30 10 IKEE Cc1ccsc1[C@@H]1C(c2ccc(OCC(C)C)cc2)=C(O)C(=O)N1c1cccc(C#N)c1 526515205 HGUOZJFSMUWKQK-QHCPKHFHSA-N 444.556 6.020 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2sccc2C)cc1OC 526517813 URWAFDXDFLHPMC-JOCHJYFZSA-N 446.528 5.393 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cn(C)c3ccccc23)cc1 526605582 XPRVBAAPHDAAHE-VWLOTQADSA-N 435.483 5.116 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2sccc2C)c1 526605859 USTIKMPSSLQHNU-HSZRJFAPSA-N 444.556 6.164 30 10 IKEE CCOc1cccc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2C#N)c1 526607458 WHNOBLYQIKYAMV-HSZRJFAPSA-N 430.891 5.668 30 10 IKEE CCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1ccc(Br)cc1 526810110 XQWIKFZFBYVKNP-UUYOSTAYSA-N 429.387 5.394 30 10 IKEE CCCCCCCOc1ccccc1/C=N\n1cnnc1SCc1ccccc1Cl 526815571 CIPJWLONJLVSFX-QQXSKIMKSA-N 443.016 6.455 30 10 IKEE Cc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccc(Cl)c(Cl)c1 526821096 AHXMXFAFVWHQLZ-MSXFZWOLSA-N 427.360 6.221 30 10 IKEE CCOc1ccc([C@H](O)C[C@@H]2SC(=Nc3ccc(-c4ccccc4)cc3)NC2=O)cc1 606655835 AXFLRPHEHXUIOZ-PKTZIBPZSA-N 432.545 5.095 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1ccc(O)c(Cl)c1 698459199 VQLAEKMVFUZMEW-INIZCTEOSA-N 437.721 5.814 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 698876403 UGKOIABLNKSMKR-UUOWRZLLSA-N 435.609 5.486 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1Nc1ccc(Br)c(C#N)c1 709701568 PJRMJRIPMCJTGY-NZSAHSFTSA-N 434.378 5.301 30 10 IKEE CCOc1ccc(C=NNc2nc(-c3ccccc3)c(-c3ccccc3)s2)c(OCC)c1 1083969364 MXJCEYIFGMPEKH-UHFFFAOYSA-N 443.572 6.721 30 10 IKEE COc1cc(C=Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1OCc1cccc(C(=O)O)c1 1084121197 KUZRDYXOHMPRIZ-UHFFFAOYSA-N 440.839 5.285 30 10 IKEE COc1ccccc1C=Nc1nc(-c2ccc(C)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1 1084331496 AVZCZEUQHMQXOO-UHFFFAOYSA-N 429.501 6.453 30 10 IKEE C=CCN1C(=O)/C(=C\c2c(Cl)cccc2Cl)S/C1=N/c1ccc(C(=O)O)c(O)c1 1614234671 XYEGEEBMALGSIY-MDRWVBAWSA-N 449.315 5.187 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](CS)[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 1614619756 YEYAPGAMCNUTDX-RISCZKNCSA-N 429.426 5.605 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H](CS)[C@@H](c2cc(C(F)(F)F)ccc2Br)C1 1614694735 RFVBIMYDTKSTHK-GWCFXTLKSA-N 440.325 5.348 30 10 IKEE CCCc1nc2sc(CC)c(-c3cccc(OC)c3)c2c(=O)n1Cc1cccc(C#N)c1 1857802839 NJBDBSYHAAQCDU-UHFFFAOYSA-N 443.572 5.568 30 10 IKEE Fc1ccccc1-n1cc(/C=N\NC(=S)Nc2ccccc2)c(-c2ccc(Cl)cc2)n1 1857810849 UBANDGWRPLXJOZ-WGARJPEWSA-N 449.942 5.652 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccc2OCC(=O)c2cccs2)c1 1858746426 XDEVKWSPDVKEAM-UHFFFAOYSA-N 435.549 5.495 30 10 IKEE CC1CCC(N(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2F)CC1 1859924324 OAKQDOGWDSZXLK-UHFFFAOYSA-N 447.394 7.089 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1cccc(OCC)c1 1862382335 CGPUTJGCUPGUHK-HXUWFJFHSA-N 448.346 5.771 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(OC)cc2)cc1 1862391931 LXPIETWDLZVLSP-XMMPIXPASA-N 445.515 5.409 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)cc1 1862413160 XDWGTOKQNPWDRN-GJULWVSJSA-N 425.475 5.430 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1 1862441666 BNTZQXKTTCKZPX-NYHFZMIOSA-N 435.882 5.819 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862445625 ZVAAKPAKKVUTLC-QFIPXVFZSA-N 439.939 5.650 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2cccc3ccccc23)cc1 1862480973 SZDVRMRLNZLJQZ-NFQMXDRXSA-N 447.534 6.488 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2cccc(F)c2)ccc1F 1862502239 UUQXHXXLTLRTSP-ZFGLAFRWSA-N 425.475 5.430 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cccc(C)c1 1862507267 HWCSPEFEYQGSKM-QHCPKHFHSA-N 439.527 5.228 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 1862539694 VXYYLBJNXNDIJC-NRFANRHFSA-N 445.481 5.892 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(F)cc1F 1862614253 BDLJGBCGOMMMDT-OAQYLSRUSA-N 427.491 5.497 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 1862620470 SKTSRALRBLAIPQ-HSZRJFAPSA-N 433.592 6.268 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C(C)C)cc1OC 1862659010 XYZBLWJTXRCKBE-DEOSSOPVSA-N 445.515 5.234 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(C(C)C)cc1 1862664602 MUGYOWYCYCUIAM-RUZDIDTESA-N 433.592 6.702 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc2c(c1)OCCO2 1862666769 LVNBGHRHZRHBDG-XMMPIXPASA-N 449.547 5.206 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)cc1 1862678837 SPTOXYGHKQRLBN-OUPRXKBMSA-N 435.539 6.106 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2cccc(Cl)c2)cc1 1862689405 PYRVILYVLZQTDE-MWTRTKDXSA-N 447.918 5.688 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCCCO)[C@H]1c1ccc(Cl)cc1)c1ccc2ccccc2c1 1862712227 MRCNZIIQDOZLGR-QHCPKHFHSA-N 449.934 5.234 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3cccc(Cl)c3C)C2=O)cc1 1862887926 NYQLUNUMUGEEQD-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccc(F)cc3Cl)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1863030055 UMJFNWZALDSZJH-UHFFFAOYSA-N 445.881 5.364 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(N(C)C)c2)=C(c2ccc(F)cc2)C1=O 1863144640 PJXPLTBXMGOJQU-UHFFFAOYSA-N 437.559 5.444 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Br)c(C)c2C)=C(c2ccc(C)c(C)c2)C1=O 1863258709 BHNFHFQELTXNRT-UHFFFAOYSA-N 439.353 5.061 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H](C)c2ccc(OC)cc2)=C(c2ccc(C)cc2)C1=O 1863621715 SUAQQYGJGMSISR-OAQYLSRUSA-N 448.607 5.795 30 10 IKEE Cc1nc(Nc2ccccc2C#N)cc(N2CCc3ccccc3[C@H]2CCc2ccccc2)n1 1868490678 OWQGOMAOCWPLIM-HHHXNRCGSA-N 445.570 6.137 30 10 IKEE CCCCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CN1CCCCCC1 1870352641 DXIWFFQLKIIKHU-UHFFFAOYSA-N 432.693 6.790 30 10 IKEE CCCCCCCOc1cn(CCCC)c(CN2CCN(c3ccccc3)CC2)cc1=O 1870409184 LCLATDQBQKPILZ-UHFFFAOYSA-N 439.644 5.320 30 10 IKEE C=CCOc1cn(Cc2ccccc2F)c(CNc2ccc(Cl)c(Cl)c2)cc1=O 1870813326 GWYBQCKPZXEGNU-UHFFFAOYSA-N 433.310 5.519 30 10 IKEE CCCCCCCOc1cn(CCCCCO)c(CNc2ccc(C)c(C)c2)cc1=O 1870837870 CBKYTVXEWJZBLE-UHFFFAOYSA-N 428.617 5.589 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1COc2ccc3c(c2C1)O/C(=C\c1c(F)cccc1Cl)C3=O 1871350726 RFHOCYFKQFJPEM-HFIKXGLWSA-N 427.903 5.826 30 10 IKEE CCc1ccc([C@H](C)N2COc3cc(C)c4c(c3C2)O/C(=C\c2sccc2C)C4=O)cc1 1871354047 FQAPIFNCOJXAHG-QRAWFLTRSA-N 445.584 6.457 30 10 IKEE CCn1cc(/C=C2\Oc3c(ccc(OC(=O)CC(C)C)c3C)C2=O)c2cc(OC)ccc21 1871386113 DORKQDKSELZDOF-FMCGGJTJSA-N 433.504 5.546 30 10 IKEE CCCOc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)c1 1871387891 PEFBIQSOQNIGOA-QRVIBDJDSA-N 448.902 6.273 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCC(=O)N[C@@H](C)c4ccccc4)c3C)C2=O)cc1 1871424679 SDEXQJABCBQEKE-OQLNFPPLSA-N 427.500 5.176 30 10 IKEE CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)c1 1871426126 MADNKEOXKHWXKA-OGQLAUOESA-N 445.446 5.051 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccncc1)C2=O 1871430364 ITTFUFAKHTZASA-QWQBBLJPSA-N 428.488 5.029 30 10 IKEE CCCCCCCCN=c1nc(N(CCC)CCC)[nH]c(=Nc2cccc3ccccc23)[nH]1 1871729266 AYCLTKLVIIERMY-UHFFFAOYSA-N 448.659 6.011 30 10 IKEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(=O)(=O)c1ccccc1 1872206673 BKYOXUSKMRJQJL-OAQYLSRUSA-N 448.588 5.256 30 10 IKEE C=CCN([C@H](C(=O)Nc1cccc(C(C)(C)C)c1)C(C)C)S(=O)(=O)c1ccc(C)cc1 1872212097 VNHWGQAKQUQGJW-QHCPKHFHSA-N 442.625 5.133 30 10 IKEE CCc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(OC)cc3C(C)(C)C)n2)cc1 1872760992 CVJQFEJMYFQLPL-HXUWFJFHSA-N 448.588 5.934 30 10 IKEE N#C[C@@H](C(=O)c1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872762723 UWYKNESSPIRTRF-LBPRGKRZSA-N 442.154 6.914 30 10 IKEE Cc1cc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(Cl)cc3Cl)n2)ccc1F 1872773299 YGYICHGXUJQKLP-RRGWEWPQSA-N 431.319 6.454 30 10 IKEE CC(C)c1ccccc1O[C@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872774147 ILQULFOBFOEUQZ-APWZRJJASA-N 448.544 5.348 30 10 IKEE CCOc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2ccc(OC)c(C)c2C)cs1 1872778015 BKOQKBKXQWLXQI-GOSISDBHSA-N 436.533 5.090 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)cc3[N+](=O)[O-])n2)cc1C 1872788374 YQKOJXCUTUPLDB-INIZCTEOSA-N 441.896 5.487 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc1 1872789100 YEYGJLFQQDXZIG-IUYMFKLXSA-N 438.936 5.760 30 10 IKEE CC(C)c1ccc(O[C@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1 1872789375 HIBJKABTTPFORX-CJNGLKHVSA-N 430.982 6.292 30 10 IKEE N#Cc1ccc(OCc2cccc(C(=O)Nc3ccccc3Sc3ccccc3)c2)cc1 1872847444 MJRKKRMHDJAOPO-UHFFFAOYSA-N 436.536 6.541 30 10 IKEE N#Cc1ccc(OCc2ccc(C(=O)Nc3cccc(OCc4ccccc4)c3)cc2)cc1 1872869590 JKHVKBLFNIIQIN-UHFFFAOYSA-N 434.495 5.969 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C)cc2C)=C(c2cc(F)cc(F)c2)C1=O 1873318573 WGTQOCFZVJUIGH-UHFFFAOYSA-N 440.534 6.134 30 10 IKEE CCCCCCCCN=c1nc2c(cnn2-c2ccccc2)c(Nc2cc(C)cc(C)c2)[nH]1 1873477921 BSGXVQKMJBTJKI-UHFFFAOYSA-N 442.611 6.370 30 10 IKEE CCCCCCCCNC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)C12CCCCC2 1873886446 VVAQWWUQCIHSMJ-DEOSSOPVSA-N 426.645 6.062 30 10 IKEE CCCCCCCCNC(=O)COc1ccc2cc(-c3ccc(OC)cc3)c(=O)oc2c1 1873891414 BGWVRTZHQBGCCZ-UHFFFAOYSA-N 437.536 5.324 30 10 IKEE C=C(C)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1cccc2ccccc12 1874273703 JXQMVRAHWNGJSF-RAQUAXEKSA-N 447.608 5.096 30 10 IKEE Fc1cccc(CSc2nnc(CCc3ccccc3Cl)n2/N=C/c2ccco2)c1 1874276424 LIDNEFRHVRAOBR-AFUMVMLFSA-N 440.931 5.623 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccccc3)n2/N=C/c2cccc(O)c2)CC1 1874288148 PTCPSWRVIKZCIS-OVVQPSECSA-N 448.636 6.622 30 10 IKEE CCCOc1cccc(/C=N/n2c(COc3ccccc3OC)nnc2SCCC)c1 1874290399 RLVPZLKNPZQYIF-LFVJCYFKSA-N 440.569 5.039 30 10 IKEE CCCOc1cccc(/C=N/n2c(COc3ccc(OC)cc3)nnc2SCCC)c1 1874293697 OYYCKQPJJOJOIM-LFVJCYFKSA-N 440.569 5.039 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2OC)n1/N=C/c1c(F)cccc1Cl 1874314452 UWRLCQXEYHJLDS-DHRITJCHSA-N 444.963 5.415 30 10 IKEE CCSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1ccc(Br)cc1 1874319230 GVPHKEZBGHQEEY-WSDLNYQXSA-N 445.386 5.231 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccc(C)c(C)c3)n2/N=C/c2ccco2)c1 1874329743 CLSWOLBHUUPPMP-JVWAILMASA-N 444.604 6.064 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874330662 YKGVSBFCMSOIAW-ZVHZXABRSA-N 435.553 5.139 30 10 IKEE Clc1ccc(Cc2nnc(SCc3ccccc3Cl)n2/N=C/c2ccco2)cc1 1874342315 KHBVWYREMCMWCD-ZMOGYAJESA-N 443.359 5.943 30 10 IKEE CCCSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874381206 HMWSHOXITBSXCQ-MFKUBSTISA-N 442.560 5.188 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccccc3)nnc2[C@H](C)c2ccccc2)c1 1874395923 YMZNNWBYTGOJDM-VKELSTCCSA-N 428.561 5.613 30 10 IKEE C=C(C)CSc1nnc(C2CCCC2)n1/N=C/c1ccc(OCc2ccccc2C)cc1 1874454562 KMQFYGAGVBYFEJ-JVWAILMASA-N 446.620 6.374 30 10 IKEE C=C(C)CSc1nnc(C2CCCC2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874455052 YNBPLQXUKSQMTL-WGOQTCKBSA-N 432.593 6.065 30 10 IKEE Cc1cccc(/C=N/n2c(SCC(=O)N[C@@H](C)c3ccccc3)nnc2C2CCCC2)c1 1874457650 ZNEURCYQJUBZNA-JHKMYFMNSA-N 447.608 5.096 30 10 IKEE CCSc1nnc(-c2ccco2)n1/N=C/c1ccc(OCc2ccccc2)c(OC)c1 1874464775 AQGGUXSNOCESCV-BUVRLJJBSA-N 434.521 5.120 30 10 IKEE CC(C)COC(=O)CSc1nnc(C2CCC2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874497700 WLBPMUZNPBFQCN-ZMOGYAJESA-N 428.602 5.017 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1/N=C/c1ccc(N(CC)CC)cc1 1874507582 KKEPFSBORUSKRH-PCLIKHOPSA-N 425.577 5.390 30 10 IKEE CN(C)c1ccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C2CC2)cc1 1874523625 YGSHGGDNZHCKCW-WYMPLXKRSA-N 446.407 5.703 30 10 IKEE Fc1ccc(COc2ccc(/C=N/n3c(S)nnc3-c3ccccc3Cl)cc2)cc1 1874562275 LRIHPSYANYEDAK-DHRITJCHSA-N 438.915 5.488 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1c(OCc2cccc(Cl)c2)ccc2ccccc12 1874581199 BDQYUVHKQDUCJQ-OUKQBFOZSA-N 442.942 7.285 30 10 IKEE CCCNC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(Oc2ccccc2)cc1 1874584836 DQNFOMCFZRUZBJ-GXDHUFHOSA-N 449.934 5.933 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC)c2OCc2cc(C)ccc2C)cc1C 1874591531 PRBSZLWGEFOJBE-OUKQBFOZSA-N 430.544 6.413 30 10 IKEE CCc1ccc(NC(=O)COc2cccc(/C=C/C(=O)c3ccc(OC)c(Cl)c3)c2)cc1 1874600085 ROZSOHSCRXTHBQ-UKTHLTGXSA-N 449.934 5.825 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c(Br)c1OCCO 1874601146 WPNNKQOWHUOTIG-QHHAFSJGSA-N 446.124 5.032 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OCC(=O)Nc1cccc(C)c1C 1874617905 ZNLDTIYCQIJNRM-JLHYYAGUSA-N 443.543 5.842 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 1874620374 WVVJABOSTMOKTR-IZLCOFNUSA-N 429.516 5.156 30 10 IKEE C=C(C)COc1c(Cl)cc(/C=C/C(=O)c2cc(OCC)ccc2OCC)cc1OC 1874630853 YADRXIIMGDBDSS-CSKARUKUSA-N 430.928 5.997 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(OC(C)=O)cc3)c2)cc1 1874702178 UGHSFVFNJNQOHR-FRKPEAEDSA-N 444.483 5.516 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1F 1874706950 HXSJBRJISVQOSE-RIYZIHGNSA-N 432.491 6.247 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1OC(=O)CCc1ccccc1 1874710618 GCWPSLZZNKSXCQ-JLHYYAGUSA-N 444.527 5.755 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3ccccc3C)c2)cc1C(C)C 1874711200 UTSJTZXDQNYPBI-BUHFOSPRSA-N 428.528 6.551 30 10 IKEE CCc1ccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3cc(C)c(OC)cc3C)c2)cc1 1874717830 MBMHTYXFEKMTRW-FYWRMAATSA-N 442.555 6.309 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)cc2)cc1 1875132083 DWLKZWZBHZDJOG-RXPRDNMRSA-N 428.528 6.387 30 10 IKEE COc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OC 1875133785 BWCQQVWKNJBKBB-JLHYYAGUSA-N 446.499 5.201 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)c1sccc1C 1875137770 DIAVPSSCQRZGBT-BQYQJAHWSA-N 440.948 6.451 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OC(=O)c1cccc(F)c1 1875156002 GDYQNCYWRKLUKR-WYMLVPIESA-N 426.443 6.103 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)[C@@H](C)c1ccccc1 1875157591 FLMGIHKHYXPBAG-OIQJVACTSA-N 438.882 6.093 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2ccccc2)cc1 1875161498 SSJLIXRDZWESEV-FOWTUZBSSA-N 428.528 6.037 30 10 IKEE C[C@@H](C(=O)Oc1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1)c1ccccc1 1875165543 NFSOGOSMXFVAPU-QJUACMODSA-N 448.518 7.084 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cc(OC)c(OC(=O)CC(C)(C)C)c(OC)c1 1875192948 LVBSQNMERBGKMJ-VQHVLOKHSA-N 446.927 5.604 30 10 IKEE C[C@@H]1CCCC[C@@]1(C#N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875690506 VLVKZFGGKFCCHF-WVLFPKRMSA-N 441.571 6.598 30 10 IKEE C#CCN(Cc1ccccc1)C(=O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 1885428690 ODGGBBJXNPNYQB-UHFFFAOYSA-N 443.341 5.072 30 10 IKEE CC(C)(C)c1cc(CCC(=O)N2CC[C@H](Oc3cc(C#N)ccn3)C2)cc(C(C)(C)C)c1 1890544768 OVTNFQBGXKZEOC-QHCPKHFHSA-N 433.596 5.161 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)Cc3cccc(Cl)c3Cl)cc21 1890570840 COKJWKZRWPLSHM-UHFFFAOYSA-N 433.335 5.112 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCCC)c2cc(Br)ccc2F)C1 1892691529 MTSRIDQZWWIPFE-KRWDZBQOSA-N 427.358 5.242 30 10 IKEE CCCn1ncc(Br)c1C(=O)C=Cc1ccc(NC(=O)OC(C)(C)C)cc1 1911892454 PQHSPYDTISGWAN-UHFFFAOYSA-N 434.334 5.299 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CCC[C@@]2(C#N)N(C(=O)OC(C)(C)C)c2ccccc2)C1 1918321972 PYLAQUBYNFSPFR-DEOSSOPVSA-N 427.545 5.111 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC[C@H](CCNC(=O)OC(C)(C)C)C(C)(C)C)NCC 1922108105 RDQDDLLHKXORIR-RPWUZVMVSA-N 446.676 6.095 30 10 IKEE Cc1cccc(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 1950025310 DZKRNGCCWLBZSR-YJLYGGOZSA-N 427.545 5.028 30 10 IKEE C#Cc1cccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)(C)C(=O)O)c1 1951836300 MCBHIIDIXGHPHJ-VWLOTQADSA-N 439.511 5.359 30 10 IKEE N#Cc1ccc(NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)c(F)c1F 1982310696 YWUDPQJFYDDXQH-UHFFFAOYSA-N 449.457 5.109 30 10 IKEE CC(C)(C)OC(=O)N1CCCC2(C1)CC(C#N)(N(C(=O)OC(C)(C)C)C1CCCC1)C2 2013356267 ZEQFJDNXZKSKNW-UHFFFAOYSA-N 433.593 5.240 30 10 IKEE Cc1cc([C@@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)sc1Br 2023677497 CMPJMXLTDUIARA-CYBMUJFWSA-N 427.389 5.883 30 10 IKEE O=C(C=Cc1cn(-c2ccccc2)nc1-c1cccc(Br)c1)c1ccccc1 2053588880 AHIQZHNJTIRWLG-UHFFFAOYSA-N 429.317 6.198 30 10 IKEE CCCN[C@]1(C#N)C[C@@H](C)C[C@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)C1 2055022916 HEWHZCPRPVIFDH-SAAIGDAKSA-N 432.656 5.071 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)C2(C#N)CC(CCNC(=O)OC(C)(C)C)C2)c1 2056503467 CVGOEWGUHVABLL-UHFFFAOYSA-N 445.560 5.024 30 10 IKEE CC#CCCC[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCC 2073665804 RXLXQPMVVJXPKG-DEOSSOPVSA-N 441.660 5.108 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@H](C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2077947527 IRYCRMDZBOUDHE-VQTJNVASSA-N 449.636 5.874 30 10 IKEE CC[C@H](c1ccc(C)cc1C)n1nc(C(C)(C)C)c(/C=N/O)c1I 2079072871 ZITKZHWVAWQVIX-BTZNOAQDSA-N 439.341 5.210 30 10 IKEE Nc1c2c(nc3c(-c4cc(C(F)(F)F)ccc4F)c(C(F)(F)F)nn13)CCCCC2 2081274068 INSXBPBXGOUOTO-UHFFFAOYSA-N 432.343 5.424 30 10 IKEE COC(=O)c1c(C(F)(F)F)nn2c(Cl)cc(-c3ccc(F)cc3C(F)(F)F)nc12 2081282193 KHLIMYYGJRJYLF-UHFFFAOYSA-N 441.690 5.013 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(Br)ccc(Cl)c1F 2098972030 DQWPRHHJQHMXGA-WMLDXEAASA-N 449.792 5.752 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@]2(Nc3ccc(C#N)c(Br)c3)CCCCC[C@@H]12 2162344590 WVAOLVTZIDTQEM-WIYYLYMNSA-N 434.378 5.445 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@H](C#N)c1c(F)cc(Br)cc1F 2170707404 XASHZOBTBIJJGK-MRXNPFEDSA-N 441.247 5.873 30 10 IKEE CC(C)(C)CN(CCC#N)C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2181046250 PNYMGXMPYYIRAI-UHFFFAOYSA-N 438.366 5.198 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCCC)c2cc(F)c(Br)cc2F)C1 2198172809 GGCXSEUEERATKA-QGZVFWFLSA-N 445.348 5.382 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1sc(C)c(C)c1Br 2229299136 DBWHRQWTWAMBMT-DOTOQJQBSA-N 443.451 5.475 30 10 IKEE C=CC1(C[C@@H](NC)[C@@H](Cc2ccccc2Br)NC(=O)OC(C)(C)C)CCC1 2237420148 OMEAIZNCOYFDFX-RTBURBONSA-N 437.422 5.219 30 10 IKEE CCCN[C@@H](C#CC1CCCC1)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2251412636 YYMQPJCDYFYMTG-ZEQRLZLVSA-N 428.617 5.048 30 10 IKEE C=C(COCc1ccccc1)[C@]1(OCC(=O)O)CCC(C)(C)C[C@@H]1OCc1ccccc1 2261826636 COZIKOMHEIBIDU-RPLLCQBOSA-N 438.564 5.395 30 10 IKEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)Cc1cccs1 2267603198 YVDOCAMHBXACGX-UHFFFAOYSA-N 447.409 5.198 30 10 IKEE C=C(C)CCCC[C@@H](O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2271835033 NFKQWTYZCFAGLH-RTBURBONSA-N 426.395 5.382 30 10 IKEE CC(C)N(C[C@H]1CCCN(c2c(Br)cccc2C#N)C1)C(=O)OC(C)(C)C 2285189859 LNICGSFZWYSUFP-INIZCTEOSA-N 436.394 5.183 30 10 IKEE C=CC[C@@]1(COc2c(N)ccc(F)c2Br)CCCN(C(=O)OC(C)(C)C)C1 2287853506 YCLUZBPVJBYICP-HXUWFJFHSA-N 443.357 5.143 30 10 IKEE CCCN[C@@H](C#CC1(OC)CCC1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2300421846 PSMIZMKJULMCRI-HSZRJFAPSA-N 428.617 5.145 30 10 IKEE CCN[C@@H](C#C[C@H](OC)C1CCCC1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2320502565 KAYPHDXNNSGENQ-RPBOFIJWSA-N 442.644 5.391 30 10 IKEE Cc1ccccc1CSc1nncn1N=Cc1ccccc1OCc1ccc(Cl)cc1 2321239242 IIVAQGWGOOCZAB-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE CCCCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(C(=O)OC)cc1)C3=O 2322083258 TZTIOYVWMGNFCT-UHFFFAOYSA-N 435.520 5.130 30 10 IKEE Cc1ccc(C)c(OCc2nnc(S)n2N=Cc2cccc(Oc3ccccc3)c2)c1C 2322161054 SOJKYPUGLGHDBN-UHFFFAOYSA-N 444.560 5.746 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(Br)cc2)c1OCc1cccc(F)c1 2322430174 KDWVUBNFRMDBLN-UHFFFAOYSA-N 441.296 6.072 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccccc2OCc2ccccc2F)cc1OCCC 2322502385 VWVCKEPSJMUPRM-UHFFFAOYSA-N 448.534 6.878 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccccc2OCc2ccc(Cl)cc2Cl)cc1 2322724903 RNTCXRVWJPDEBM-UHFFFAOYSA-N 425.355 7.592 30 10 IKEE COc1cccc2cc(C(=O)Oc3ccc4c(c3)OC(=Cc3sccc3C)C4=O)oc12 2322860071 CGSMVDYKVHVPMX-UHFFFAOYSA-N 432.453 5.647 30 10 IKEE C=C(C)COc1c(C=CC(=O)c2ccc(OCC)cc2OCC)cc(Cl)cc1OC 2322916741 CHXQXXYPTBXMFM-UHFFFAOYSA-N 430.928 5.997 30 10 IKEE O=C(C=Cc1cccc(OCc2nc(O)c3ccccc3n2)c1)c1cccc2ccccc12 2323203243 KAEMVWOLTYIONR-UHFFFAOYSA-N 432.479 5.964 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OCc1c(F)cccc1Cl 2323203415 GNHXNPQLBJVQIZ-UHFFFAOYSA-N 438.926 7.086 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O)c1cc([N+](=O)[O-])ccc1Cl 2323231278 FWDLOSCOLCYUTJ-UHFFFAOYSA-N 439.782 5.223 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)cc(Cl)c1OCc1ccc(C)cc1 2323608755 LQTGQQKKZWPKGJ-UHFFFAOYSA-N 441.354 7.176 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 2323693786 WJFZNCPLCVELKA-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OCC(=O)Nc2ccc(C)cc2)c(Cl)c1 2323701403 KDOVAWOFAWFUSO-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccc(Cl)cc1Cl 2325589554 FQHATEIDRDJXDO-UHFFFAOYSA-N 436.324 5.230 30 10 IKEE CCOc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)CCCC4)c2)cc1 2325701778 ICGBNCNEECLEKO-UHFFFAOYSA-N 426.512 6.079 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)COc3ccccc3CC)c2)cc1 2325704466 IEHCNABVRCLEEQ-UHFFFAOYSA-N 444.527 5.701 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccccc4Cl)c3C)C2=O)c1 2325718195 YBHHRTOCBHAJJD-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)Cc2cccs2)c1 2325756032 MKULCNHLBOLXLO-UHFFFAOYSA-N 447.339 6.108 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1OC(=O)c1cccc(C)c1 2325756488 METHVQOIFGVEHT-UHFFFAOYSA-N 428.528 6.353 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1cc(OC)ccc1OC 2326417978 FWUNCOUAEIQQKT-UHFFFAOYSA-N 438.597 5.429 30 10 IKEE CCCc1ccc(OCc2nnc(SCC)n2N=Cc2ccc(Cl)cc2Cl)cc1 2327357803 POOBDYBPTJLHSS-UHFFFAOYSA-N 449.407 6.111 30 10 IKEE CCCc1ccc(OCc2nnc(SCC)n2N=Cc2cc(Cl)ccc2O)cc1 2327358472 VKSIEZFUFMAREL-UHFFFAOYSA-N 430.961 5.163 30 10 IKEE CCCCC1CCC(c2nnc(SCCc3ccccc3)n2N=Cc2ccc[nH]2)CC1 2328176321 JVDNLMDZXNLHGT-UHFFFAOYSA-N 435.641 6.287 30 10 IKEE Cn1cccc1C=Nn1c(Cc2ccc(Cl)cc2)nnc1SCc1ccccc1F 2329102207 RNGCTIAZHIVXNQ-UHFFFAOYSA-N 439.947 5.174 30 10 IKEE Fc1ccc(C=Nn2c(SCCc3ccccc3)nnc2-c2ccccc2Cl)cc1 2329587181 VQKPOPCAHULECP-UHFFFAOYSA-N 436.943 5.955 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3F)n2N=Cc2ccc(F)cc2)cc1 2329990281 VJYGQSVSHRPVCM-UHFFFAOYSA-N 434.515 5.630 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)C=Cc1cccc([N+](=O)[O-])c1)[C@H](C)CC 2330627193 SYYAAKQUDHWYTP-HYBUGGRVSA-N 445.604 5.396 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)CC3CCCCC3)c(OC)c2)cc1 2330736271 BFTXAPRKYPGAAV-UHFFFAOYSA-N 440.967 6.683 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc(F)c2)n1N=Cc1cccc([N+](=O)[O-])c1 2330824574 ORUQUDGCVJYGCA-UHFFFAOYSA-N 427.505 5.089 30 10 IKEE COc1cccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccccc2Cl)c1 2330849381 CALISDIGKAVNMB-UHFFFAOYSA-N 428.989 5.703 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3[N+](=O)[O-])c(Cl)c2)cc1 2330965711 WHMWUQQLRNEKGF-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2cccc(C)c2)nnc1C1CCCC1 2331046414 STRDXPSHGAFWKB-UHFFFAOYSA-N 432.593 5.983 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1 2331084561 CIAJYIPQODTXIT-UHFFFAOYSA-N 438.426 5.244 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OC(=O)Cc1cc(C)ccc1C 2331106144 LZXWUDKIZSOBGO-UHFFFAOYSA-N 436.454 5.634 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] 2331125950 QCDRVHVYQVEPSR-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1Br 2331146169 BXHQSXLKMJPVHN-UHFFFAOYSA-N 449.772 6.874 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OCC)cc2)cc(OC)c1OC(=O)c1ccncc1 2331211260 XUCBWPKHIGPNFT-UHFFFAOYSA-N 443.499 5.333 30 10 IKEE CCCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccc(C)cc2C)cc1OC 2331230064 IHRHMGGSBOEWCJ-UHFFFAOYSA-N 431.326 5.676 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OCCC)cc2)cc(OC)c1OC(=O)C1CCC1 2331311388 ZTKOFQXIANVKHR-UHFFFAOYSA-N 434.532 5.814 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)ccc1F 2331332921 BTEATSAREFJZMF-UHFFFAOYSA-N 439.826 5.811 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(C)c3)cc2[N+](=O)[O-])cc1 2331339111 HPYQXFMNAKLHRS-UHFFFAOYSA-N 433.435 5.395 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)CCCSC 2331348620 KYPAJVHJEIHSCT-UHFFFAOYSA-N 442.552 5.816 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(C(C)C)n1N=Cc1ccc(C(C)C)cc1 2331674782 JVPMBRFVTNRCPY-UHFFFAOYSA-N 449.624 5.700 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(C)c3)c([N+](=O)[O-])c2)c(OC)c1 2331724013 FNBQRVVSHHKIQV-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)ccc1OC(=O)CCCSC 2331753179 FGSMPTWRIOQRAQ-UHFFFAOYSA-N 448.968 5.610 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)C(F)(F)F 2331761729 UPULJLJWYYCCKC-UHFFFAOYSA-N 426.818 5.638 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccccc3)c(Br)c2)c(C)c1 2331769040 OAZMNOQLRKLNPG-UHFFFAOYSA-N 449.344 6.490 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2ccc(OC(=O)CC3CCCCC3)cc2)cc1Cl 2331802637 NWSBGDBVYQSMIH-UHFFFAOYSA-N 447.358 6.774 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CC3CCCCC3)cc2)c2ccccc12 2331864234 FRVWACCZWCAPBE-UHFFFAOYSA-N 428.528 6.620 30 10 IKEE C=CCOc1ccccc1C=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)N=C1CCC 2332114252 IXCANQCSMSEIEE-UHFFFAOYSA-N 429.347 6.140 30 10 IKEE CCN[C@H](C#CC1CC1)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2337423887 FNSQUHKWYJPPRD-GGXMVOPNSA-N 441.571 5.270 30 10 IKEE N#Cc1cccc(Br)c1OCc1ccc(Cl)cc1I 2340087124 ITERUPMLVQMLKH-UHFFFAOYSA-N 448.485 5.158 30 10 IKEE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)N(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2365058838 HFTCOLGGJPMVFQ-UQECUQMJSA-N 447.432 5.073 30 10 IKEE C=C(C)CN1C(=O)[C@H](C)Oc2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)cc21 12081431 ISQZZMYRANKXFB-KGLIPLIRSA-N 449.334 5.089 30 10 IKEE COC(=O)c1ccc(COc2ccc(/C=C3\CCc4ccccc4C3=O)cc2OC)cc1 14359364 IRKZINSSXVGAGD-PXLXIMEGSA-N 428.484 5.273 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccccc2SCCCC)nnc1C(F)(F)F 20839942 FBRIEMVHAYDCCZ-UHFFFAOYSA-N 430.521 5.106 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2c(F)cccc2Cl)cc1 21256817 CIUXSPPMDJEGDB-WBVHZDCISA-N 427.903 5.272 30 10 IKEE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1/C(=N/Nc1ccccc1)CCC2 40824164 XNAZCNQXESWQFO-RDRPBHBLSA-N 427.426 6.012 30 10 IKEE CCn1cc(/C=C2\Oc3c(ccc(OC(=O)c4cccc(F)c4)c3C)C2=O)c2ccccc21 41430570 QUGQCHQMCDBBOX-OYKKKHCWSA-N 441.458 5.944 30 10 IKEE O=C1N/C(=N\c2ccc(F)cc2)S/C1=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1 59106141 PGSWHXOQMSKALH-BKUYFWCQSA-N 449.463 5.205 30 10 IKEE COc1ccc(/C=N/Nc2nc3ccccc3s2)cc1COc1ccc(NC(C)=O)cc1 59120105 ZFMQZGWHWPMWJG-AFUMVMLFSA-N 446.532 5.288 30 10 IKEE CCCSc1ccccc1NC(=O)CSc1n[nH]c(NN=C2CCCCCC2)n1 59311274 PYWIKWYQFAUXNU-UHFFFAOYSA-N 432.619 5.160 30 10 IKEE O=C(Nc1cccc(Cl)c1)c1cccc(/N=C/c2ccccc2OCc2ccccc2)c1 59518685 DNDAJWIXHLGMFL-RDRPBHBLSA-N 440.930 6.922 30 10 IKEE CC1(C)CC(=O)C=C(Nc2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 66323695 QQSZCUQLDPCFSU-UHFFFAOYSA-N 433.430 5.914 30 10 IKEE CCCCCCCCCn1c([C@@H]2CC(=O)N(c3ccccc3OCC)C2)nc2ccccc21 101325330 QLOMFNCTKDRQJS-JOCHJYFZSA-N 447.623 6.706 30 10 IKEE CCCCCOc1ccc(/C=N\n2c(S)nnc2Cc2ccc(F)cc2)cc1OCC 169913655 PGDULDXDEABSQR-XYGWBWBKSA-N 442.560 5.147 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(OC)cc2)cc1 169925326 QFPBICVPCMHEAN-XMMPIXPASA-N 427.500 5.349 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(F)c(C)c2)=C(O)C(=O)N1c1cccc(F)c1 169940130 BYJABNWKVYXTCZ-JOCHJYFZSA-N 435.426 5.065 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2cccc(C)c2)cc1 169968775 YXSUYKCSZIUVFD-XMMPIXPASA-N 427.500 5.403 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccccc2C)cc1 170029914 VTETXGCATBMIQU-QHCPKHFHSA-N 447.918 5.830 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)c1 170065272 ILKHBJYXIRVNGU-HSZRJFAPSA-N 433.454 5.360 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1c[nH]c2ccccc12 170073494 WXTYECWOLQCCNI-QHCPKHFHSA-N 442.446 5.099 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2sccc2C)cc1C 170106256 ODWSDFYWKNGZNK-NRFANRHFSA-N 435.520 5.904 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2cccs2)cc1C 170158184 XJZQRGPPHICZPO-QFIPXVFZSA-N 431.513 5.083 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccs2)cc1C 170158191 ZLKNCKFFZBWGJV-WAIKUNEKSA-N 445.540 5.471 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@@H]1c1cccs1 170160935 JPLBNVMZERREFY-OAQYLSRUSA-N 437.492 5.296 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccs2)cc1 170161088 IAEUNJRNWBHBDT-NRFANRHFSA-N 426.453 5.149 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)c(C)c3)=C(O)C(=O)N2C2CCCC2)cc1 170214814 MODZAWVIORUFSC-XMMPIXPASA-N 449.547 5.313 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccccc2)c1 170223813 JQGVAORPCVMFJG-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1 170228812 XXDPJEAFSCUWDH-OAQYLSRUSA-N 438.310 6.085 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2)c1 170231382 OYNAWZCIRJBWNI-XMMPIXPASA-N 433.548 5.632 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cn(C)c2ccccc12 170269588 REDOQFSHUXUIQB-FQEVSTJZSA-N 443.330 5.473 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccco1)c1ccc(Cl)c(Cl)c1 170281685 FFNJZMMCAROOOX-GOSISDBHSA-N 432.234 5.508 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccco2)cc1 170283686 VHCWDMNNNMFFRN-HSZRJFAPSA-N 447.487 5.337 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@H]1c1sccc1C 170318906 SYZNAOOHWPSFHD-INIZCTEOSA-N 434.355 5.116 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1sccc1C 170319372 VJAMUAXZUIXAGY-NRFANRHFSA-N 441.593 5.860 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(Cl)cc2)c1 170374590 KXNQRSBSWUWIKG-HSZRJFAPSA-N 447.918 5.830 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1c1ccc(OCC(C)C)cc1 170396846 JGILVXQTTIMPPH-QHCPKHFHSA-N 447.556 5.874 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(C(C)C)cc1 170422116 UOXQKXGADXQNLX-QHCPKHFHSA-N 447.556 5.659 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 226633920 LRNLPYJTMKBGSD-TZBSWOFLSA-N 440.425 7.625 30 10 IKEE CCOc1ccccc1C=Nc1ccccc1-c1ccccc1N=Cc1ccccc1OCC 254387564 VKVCVJLKALCPEZ-UHFFFAOYSA-N 448.566 7.652 30 10 IKEE CCCN1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)SC1=Nc1ccccc1 254498564 GNSUQQQKHUNDIX-AQAUNXFGSA-N 432.501 5.659 30 10 IKEE CCOc1cc(/C=N/N(C(N)=S)c2ccccc2)ccc1OCc1ccc(Cl)cc1 520880627 IERMSYMOYLOSJX-CVKSISIWSA-N 439.968 5.402 30 10 IKEE Cc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1cccc(Cl)c1Cl 526804971 BGPKJAZSTLDEHN-MSXFZWOLSA-N 433.408 6.365 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1ccc(Cl)c(F)c1 698452678 CIGFHKVMIOJBBN-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@@H]1CCCN1C(=O)OC(C)(C)C 698484041 MSCDRYLLLVBSTC-YADARESESA-N 429.561 5.418 30 10 IKEE COc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(C)cc2)c(Br)c1 698906543 ZZIWAPQDCRACHD-LJQANCHMSA-N 431.330 5.773 30 10 IKEE CN(C)c1ccc(C=NN2CCN([C@H]3Cc4ccccc4Sc4ccccc43)CC2)cc1 725430099 BFXFWBVVOHPTLH-VWLOTQADSA-N 442.632 5.153 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)NC(=O)Nc2ccc(OCC)c(OCC)c2)c1 821213830 KPPRTNVYLJMYSR-UHFFFAOYSA-N 425.529 5.284 30 10 IKEE CC[C@@H](C)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3ccccc3Cl)n2)cc1 1084412775 VCJKOBJAUDBIKU-CQSZACIVSA-N 442.976 5.148 30 10 IKEE CCOc1cc(C=NO)cc(I)c1OCc1cccc2ccccc12 1084468289 IMKCZLOPBWOPQQ-UHFFFAOYSA-N 447.272 5.230 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)SC1=Nc1ccccn1 1772732405 WTZVEFQYFOOPPW-GIFQUSADSA-N 434.477 5.182 30 10 IKEE C=CCN=c1cc(-c2cc3cnccc3c(N3CCC(Cc4ccccc4)CC3)n2)cc[nH]1 1857844760 PVJZGYRTRYWMTR-UHFFFAOYSA-N 435.575 5.171 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc3c(OC(=O)c4cccc(Cl)c4)cccc23)c1 1858930220 YFGBUDUJSSFUGA-UHFFFAOYSA-N 426.859 5.836 30 10 IKEE N#Cc1c(NC(=O)CCOc2ccc(F)cc2)oc(-c2ccccc2)c1-c1ccccc1 1859650572 WWISNDYKXBGVQI-UHFFFAOYSA-N 426.447 6.032 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)c1ccc(OC)cc1OC 1861057426 KCRBNMUCCYQPQD-JOCHJYFZSA-N 434.621 5.249 30 10 IKEE CCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)c1ccc2nc(CC(C)C)[nH]c2c1 1861457691 MNDPQCDQIMMWRD-RUZDIDTESA-N 428.621 5.137 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(C(C)(C)C)cc2)n(-c2ccc(OC)cc2)n1 1862365923 FZOJXCGWSVSPNZ-UHFFFAOYSA-N 429.564 5.660 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C2CC2)cc1 1862384518 TZBNPYQOSYRSLL-IBGZPJMESA-N 432.303 5.133 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCc2ccccc2)cc1 1862414001 PTQKURPZMXIXQJ-XMMPIXPASA-N 447.481 5.348 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862431281 DDFHCOQFXBVXLP-XMMPIXPASA-N 445.946 5.989 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCc2ccccc2)cc1 1862432041 VCNIGOUVRNLBGH-QHCPKHFHSA-N 447.918 5.170 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCCCO)[C@H]1c1cccc2ccccc12)c1ccccc1Cl 1862435437 WHJBUUPUFRVORB-QHCPKHFHSA-N 449.934 5.234 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1Cl 1862435617 AQQCMYQTOIRPAP-HXUWFJFHSA-N 440.883 5.159 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(C)cc1 1862441155 APMRIGCJWQIIMF-GGAORHGYSA-N 439.983 6.586 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCC2)cc1OC 1862496528 MCZRZQFVAFGHKE-DEOSSOPVSA-N 449.547 5.232 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccc(F)cc2F)cc1 1862535375 YQEOQYYDVAXAFH-GYCJOSAFSA-N 447.481 5.867 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(OCCCCC)cc1 1862540835 XDFCCNCXAOXUKK-XMMPIXPASA-N 433.548 5.582 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(CC)cc1 1862606759 ZGSGTLOIRRDXAX-XMMPIXPASA-N 449.547 5.179 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(O)cc2)cc1 1862614146 YYPBSOBSJCEYRU-JOCHJYFZSA-N 431.488 5.061 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(F)cc2)cc1 1862614348 ABVPWDLJRPGAIU-DEOSSOPVSA-N 443.518 5.902 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862618441 DGGKNZQAUVMWAT-VFNWGFHPSA-N 436.508 5.269 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCC(C)C)cc1 1862653674 GNNMVAPETJGZEP-VWLOTQADSA-N 443.543 5.863 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccccc2C)cc1 1862687786 PLSYLEKOAIEORW-XMMPIXPASA-N 433.548 5.695 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccc(F)cc2F)cc1 1862690722 CLFNZCKFXUEYCF-CMJOXMDJSA-N 449.453 5.313 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2Cl)c1 1862700262 CCJHXUSQMVPLEB-JOCHJYFZSA-N 433.891 5.127 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(C(=O)O)cc1 1862714885 OOAFNFSHUOSKGR-QHCPKHFHSA-N 443.499 5.307 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2C2CCCC2)cc1 1862736954 BYNSAZCBCNUMPH-JOCHJYFZSA-N 448.519 5.413 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C(C)C)cc3)C(=O)N(c3ccccc3C#N)C2=O)cc1C 1862885571 YHDDRHORHBFSCS-UHFFFAOYSA-N 435.527 5.695 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccccc3C(C)(C)C)C2=O)cc1 1862902776 GERAFHINBRVROU-UHFFFAOYSA-N 435.527 5.561 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccccn2)=C(c2ccc(C)c(C)c2)C1=O 1863606709 KVAMUOSRUAEYKC-UHFFFAOYSA-N 447.623 5.709 30 10 IKEE N#Cc1ccccc1Nc1cc(N2CC[C@H](c3ccco3)C2)nc(-c2ccc(F)cc2)n1 1868463171 NEQXHPFJPDZHDP-IBGZPJMESA-N 425.467 5.485 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N(CCC)CCC)nn1-c1ccc(OC)cc1 1870037586 PTXUFRFRMDCVPF-UHFFFAOYSA-N 429.609 5.591 30 10 IKEE CCCCc1ccc(-n2nnc(C#N)c2NC(=O)[C@H](C)Oc2ccc(C(C)C)cc2)cc1 1870145776 ONHIAJMUOYXDAV-SFHVURJKSA-N 431.540 5.011 30 10 IKEE C=CCn1cc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c(=O)cc1CSC(C)C 1870196367 CKLBWFMPEPQFGD-UHFFFAOYSA-N 441.380 5.000 30 10 IKEE CCCCCCCCn1cc(OCC(=O)NC(C)C)c(=O)cc1CSc1ccccc1 1870285794 MLZBHDVWJXDDMS-UHFFFAOYSA-N 444.641 5.405 30 10 IKEE CCCCCCCOc1cn(CCCOCCCC)c(CNc2ccc(F)cc2)cc1=O 1870830150 FKZRGRXYFXOGFG-UHFFFAOYSA-N 446.607 6.156 30 10 IKEE CCCCCCCOc1cn(CCCOCC)c(CNc2ccc3nc[nH]c3c2)cc1=O 1870830220 IPOCXTNCBSSDQL-UHFFFAOYSA-N 440.588 5.113 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccccn1)C2=O)c1cccc(OCc2ccccc2)c1 1871388633 GKFXNQIANZUPIS-QQXSKIMKSA-N 449.462 5.496 30 10 IKEE Cc1cc(O)c(CN2C[C@H](C)O[C@@H](C)C2)c2c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O2 1871395003 BJCIPTIQYVJXTJ-WWNXGUCMSA-N 435.564 5.224 30 10 IKEE Cc1cc(OCCCOc2ccccc2)cc2c1C(=O)/C(=C/c1ccc3c(c1)OCO3)O2 1871398485 RQOIFIGVPWGVTP-OYKKKHCWSA-N 430.456 5.188 30 10 IKEE COc1cccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4cc(C)ccc4C)ccc3C2=O)c1 1871412566 VPRUROMIUKXJTP-DBXOKZBGSA-N 443.499 5.334 30 10 IKEE CCc1ccc(NC(=O)[C@H](CC)Oc2ccc3c(c2)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871425851 RBDRCCIVXUNVLD-IOOSODASSA-N 431.488 5.563 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OC(c4ccccc4)c4ccccc4)ccc3C2=O)cc1 1871430652 NJGHZMYOUDKACH-USHMODERSA-N 448.518 6.870 30 10 IKEE COc1ccc(CCOc2cc(C)c3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)cc1 1871448295 OCRFQWXZQYOHEQ-UCQKPKSFSA-N 431.444 5.150 30 10 IKEE CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871448420 KXMIFAPBDZDIKM-ICODJCHTSA-N 445.471 5.121 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(C)cc2)[nH]c(N2CCC[C@@H](C)C2)n1 1871479576 ZKHAPJVWUWAMCA-JOCHJYFZSA-N 438.664 6.134 30 10 IKEE CCCCCCCCCCN=c1nc(N2CCCCCC2)[nH]c(=Nc2cccc(O)c2)[nH]1 1871717411 OGTQHBIQRFHTAV-UHFFFAOYSA-N 440.636 5.098 30 10 IKEE C=CCN([C@H](C(=O)Nc1cccc(C(C)(C)C)c1)[C@@H](C)CC)S(=O)(=O)c1cccs1 1872234243 JSUBPQJDJNGZJD-UWJYYQICSA-N 448.654 5.276 30 10 IKEE CC(C)c1ccccc1O[C@H](C)C(=O)[C@@H](C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1872760108 HODYVCGVZVVZKP-DNVCBOLYSA-N 435.505 5.485 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(C(C)(C)C)cc3)n2)cc1C 1872765084 GSEXILJJDODKLC-NBILRRPASA-N 430.573 6.314 30 10 IKEE N#C[C@H](C(=O)CCCOc1ccc(Cl)cc1Cl)c1nc(-c2ccccc2)cs1 1872768191 LYQHDDRQFDVKOV-MRXNPFEDSA-N 431.344 6.152 30 10 IKEE COc1ccc(OC)c(-c2csc([C@H](C#N)C(=O)c3cccc(Br)c3)n2)c1 1872771274 QLFZFRAGNCZYSS-MRXNPFEDSA-N 443.322 5.080 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc1 1872789101 YEYGJLFQQDXZIG-ZAOIQFLMSA-N 438.936 5.760 30 10 IKEE N#C[C@@H](C(=O)CN1CCC(Cc2ccccc2)CC1)c1nc2c(s1)CCc1ccccc1-2 1872800784 VRENPMYWEBVRSC-QHCPKHFHSA-N 441.600 5.040 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2Br)C(=O)N(CCC)C1=O 1873070046 GNFXJGUPQNKHTH-UHFFFAOYSA-N 449.433 5.669 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC2CCCCCC2)=C(c2ccc(F)cc2)C1=O 1873137792 OIWZRCNWICGMDO-UHFFFAOYSA-N 442.619 6.359 30 10 IKEE CCCCCCc1c(C)c2ccc(OCC(=O)Nc3ccccc3C#N)c(C)c2oc1=O 1873868664 LZGOUFSXRBFEOS-UHFFFAOYSA-N 432.520 5.422 30 10 IKEE C=CCSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1cccc(OC)c1 1874206470 DFLOXZFTQGSQLT-FSJBWODESA-N 449.363 5.333 30 10 IKEE CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874217058 RZPIJSSPJWXBCO-SSDVNMTOSA-N 445.932 5.030 30 10 IKEE Cc1ccccc1CSc1nnc(CCCOc2ccccc2)n1/N=C/c1ccncc1 1874316569 ZJAUFGLWARYEMF-OVVQPSECSA-N 443.576 5.168 30 10 IKEE COc1ccc(Cc2nnc(SCc3cccc(C)c3)n2/N=C/c2ccc(O)cc2)cc1 1874350450 MVHOMRRXGPDIGB-WGOQTCKBSA-N 444.560 5.066 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(COc3ccccc3)nnc2SCCc2ccccc2)c1 1874386056 WOOCLGVAKBPOSI-YZSQISJMSA-N 444.560 5.088 30 10 IKEE Oc1cccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2cccc(Cl)c2)c1 1874404058 GOOVGNHOYZYXMW-WGOQTCKBSA-N 448.979 5.597 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2-c2cccs2)c(O)c1 1874424615 USPNKMOAIYOYGX-SSDVNMTOSA-N 442.953 5.246 30 10 IKEE C=C(C)CSc1nnc(-c2ccco2)n1/N=C/c1ccc(OCCCCC)c(OC)c1 1874466408 IJUPQMFRRDHNFS-BUVRLJJBSA-N 440.569 5.666 30 10 IKEE C=CCSc1nnc(-c2ccco2)n1/N=C/c1ccc(OCc2ccccc2C)cc1 1874467795 CEYXJVYERKZVQH-PCLIKHOPSA-N 430.533 5.586 30 10 IKEE CC(C)(C)c1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1cccc(O)c1 1874484663 HVDOBMFZTDUVTC-FOKLQQMPSA-N 435.380 5.763 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2)nnc1C(C)(C)C 1874485372 RCMXMKQTKVLEEI-MFKUBSTISA-N 441.000 5.968 30 10 IKEE COc1cc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2C2CC2)cc(Cl)c1O 1874519700 HSCFRSMTQQKAQO-BHGWPJFGSA-N 442.972 5.314 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Br)ccc2OCc2ccc(F)cc2)c1 1874572421 MJFQRJFYSFNEMJ-YRNVUSSQSA-N 441.296 6.072 30 10 IKEE O=C(/C=C/c1ccccc1OCc1ccc(Cl)cc1)c1ccc(Br)cc1 1874574529 RAPQQTRVBGBQIT-NTEUORMPSA-N 427.725 6.578 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2c(OCCc3ccccc3)ccc3ccccc23)cc1 1874579820 KJJMFTHVYFLMHX-ISLYRVAYSA-N 436.551 7.146 30 10 IKEE C=CCOc1c(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc(Br)cc1OC 1874590953 YXMPRRYQIHWVOS-PKNBQFBNSA-N 443.381 6.525 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2cccc(OC)c2)cc1Cl 1874604940 AWRIGHSEMAVBCT-ACCUITESSA-N 449.934 5.825 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc(Br)c1OCC 1874606292 GSHVTSFXYNUSEE-VMPITWQZSA-N 444.152 6.449 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1 1874606387 LAFZANHBGZPQLT-GXDHUFHOSA-N 439.382 7.811 30 10 IKEE CCCOc1c(Cl)cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc1OCC 1874624696 QQJWVCLGDZKGGQ-PKNBQFBNSA-N 430.972 6.730 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OCC(=O)NC3CCCCC3)c(Cl)c2)c(C)c1 1874634191 PHHZQRSCOHZHOB-PKNBQFBNSA-N 439.983 5.989 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1 1874635513 QEDSBZFFLRYKSQ-GHRIWEEISA-N 441.571 6.515 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2ccc(OCc3ccccc3)c(Cl)c2)cc1Cl 1874637369 WQQVWHPKRPDJDH-VQHVLOKHSA-N 447.745 7.131 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccc(F)cc3F)c2)c1 1874694533 IKVYBUVGEDUKTN-UXBLZVDNSA-N 438.426 5.026 30 10 IKEE CCCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccc(CC)cc2)cc1OC 1875102804 FVMAOAYQNKISIK-FMIVXFBMSA-N 431.326 5.622 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cncc(C)c3)c([N+](=O)[O-])c2)cc1 1875106149 DTOCWWNWWYAOOX-XYOKQWHBSA-N 444.487 5.756 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3F)c(Cl)c2)cc1C 1875108579 VQJSGJNZYNNKOS-FPYGCLRLSA-N 442.845 6.051 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)cc(Cl)c1OC(=O)c1cccs1 1875119091 DKBOHFHDUFZVJF-ZHACJKMWSA-N 442.920 5.924 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)c1ccccc1OC 1875119956 VDRQTFOWHTVCEQ-FYWRMAATSA-N 432.472 5.218 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC(=O)COc1ccccc1 1875121849 KYMOWLCUWTUOKJ-ACCUITESSA-N 436.891 5.619 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)c(C)c3)c([N+](=O)[O-])c2)cc1 1875135851 KNLZORNKRXTBSD-XYOKQWHBSA-N 429.472 5.564 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1Cl 1875141870 ZSLMPZIPBODHLC-GXDHUFHOSA-N 430.947 7.340 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)c(F)c3)c([N+](=O)[O-])c2)ccc1F 1875142340 WMMXKOYUJOWRFB-KRXBUXKQSA-N 441.361 5.436 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(Cl)c(OC(=O)c2cccnc2)c(OC)c1 1875143725 NMKDLVJQONPDFM-BQYQJAHWSA-N 437.879 5.176 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)c1cccc(C)c1 1875175699 BRIMAHMWAXNVLE-PKNBQFBNSA-N 434.919 6.389 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccs3)c(OC)c2)cc1Cl 1875186041 BEDLUBQDOAWKIL-VMPITWQZSA-N 428.893 5.534 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc(OC)c1OC(=O)CC(C)C 1875190328 UCUDWEVLOLMMQR-ZHACJKMWSA-N 436.548 5.897 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc1OC 1875191751 CFODJABACQRCJN-VQHVLOKHSA-N 437.319 6.002 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cc(OC)c(OC(=O)CC(C)C)c(OC)c1 1875193233 YHLOCADXAAAIDX-SOFGYWHQSA-N 432.900 5.213 30 10 IKEE C=CCC(CC=C)OC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC 1899398898 VLVATLMLYSWTHO-AFMDSPMNSA-N 447.575 6.004 30 10 IKEE CCCN[C@H](C#CC1(SC)CCC1)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 1899963903 WDSMJXFHBIHIII-JOCHJYFZSA-N 430.658 5.471 30 10 IKEE Cc1cccc(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 1907787033 ZTDUBDBZQUKZFE-GLDPYIMESA-N 427.545 5.028 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC[C@]2(C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 2009501008 ZSABEPHQMGAMBF-XMMPIXPASA-N 433.593 5.240 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]2CC(C)(C)CN2C(=O)OC(C)(C)C)cc1 2033721764 ALCDSQQBXXCJML-VQTJNVASSA-N 443.588 5.664 30 10 IKEE C=CCC1(Nc2ncc(Cl)cc2Br)CCN(C(=O)OC(C)(C)C)CC1 2044003675 IKSGQUYGDDOSIA-UHFFFAOYSA-N 430.774 5.255 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C[C@@H]1C1CC1 2073783312 VRTLXIIXEDKSTK-CJFMBICVSA-N 441.572 5.500 30 10 IKEE CC1(c2nn([C@@H](c3ccc(C(F)(F)F)cc3)C3CCC3)c(Br)c2C#N)CC1 2079884200 IDTCQTGUBPEKBQ-MRXNPFEDSA-N 438.291 5.977 30 10 IKEE O=C(O)c1c(C(F)(F)F)nn([C@H](c2ccc(C(F)(F)F)c(F)c2)C2CCC2)c1Cl 2080047293 BZTKZBYTZFLMDG-LBPRGKRZSA-N 444.734 5.801 30 10 IKEE N#Cc1cc(Br)cc(NCc2c(Br)cccc2Br)c1 2094134964 WSORNTJQQDURFJ-UHFFFAOYSA-N 444.952 5.458 30 10 IKEE CCCN[C@@]1(C#N)C[C@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)CC(C)(C)C1 2127194157 ZMDSATGXNADVCV-PXJZQJOASA-N 446.683 5.461 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cccc(Br)c1C 2138864499 LARMGLLBJVGJQU-RBUKOAKNSA-N 425.411 5.658 30 10 IKEE C=CCC1(Nc2cccc(Br)c2[N+](=O)[O-])CCN(C(=O)OC(C)(C)C)CC1 2162328443 NIKGUXPRFFNRJR-UHFFFAOYSA-N 440.338 5.115 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1ncoc1C1CCC1 2169514010 GLSMYTKAPFBTJZ-INIZCTEOSA-N 432.318 5.711 30 10 IKEE CN(c1cc(Br)cc(C#N)c1)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1 2197458004 HBYAPQJYVARFLJ-LJQANCHMSA-N 430.346 5.023 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(F)c(Br)cc1F 2198179809 HGUINESXZYSTAN-ZWKOTPCHSA-N 447.364 5.628 30 10 IKEE C=CCCCCCC[C@@H](NCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2206891605 MAELSVAKRAQAQC-LJQANCHMSA-N 439.438 6.973 30 10 IKEE C=CCCCCCCC[C@H](NC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2214624616 UVSVFNVSILFHEL-OEMFJLHTSA-N 432.649 5.990 30 10 IKEE C=CCC[C@@H](NCCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2229117135 WEYVVUUUOOXGIZ-MOPGFXCFSA-N 425.411 5.219 30 10 IKEE C=CC[C@@H](C)[C@@H](NCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229136708 QUEIUIDHECNXNR-ATZDWAIDSA-N 425.411 5.075 30 10 IKEE CC1(C)OB([C@H]2[C@@H]3CN(Cc4c(Br)sc5ccccc45)C[C@@H]32)OC1(C)C 2233007388 XTPMPUWWXSUTLC-HALDLXJZSA-N 434.208 5.188 30 10 IKEE C=CCN(CC[C@H](NCCC)c1cc(C)c(Br)c(C)c1)C(=O)OC(C)(C)C 2235613840 BLBOUFVQPGUTIX-IBGZPJMESA-N 439.438 5.920 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)[C@H](C(C)C)N(C)C(=O)OC(C)(C)C 2235734006 VTXRKEIVXDCFKZ-PMACEKPBSA-N 437.422 5.060 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)[C@H](CC)CCNC(=O)OC(C)(C)C 2235734835 XGEVPKUQEQLOJT-XLIONFOSSA-N 437.422 5.110 30 10 IKEE C=CCCCC[C@H](NCCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248455674 IELIUBSQRQJHHU-QHCPKHFHSA-N 430.633 5.555 30 10 IKEE CC#C[C@H](OCCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2261618364 RLDKMIHSPIFWRT-DEOSSOPVSA-N 430.500 5.400 30 10 IKEE C=C(C)CC[C@H](OCCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2276224693 WYUQSYMAEAZLQN-MHZLTWQESA-N 445.603 6.607 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(C#N)c(Br)c2)C[C@H]1C(F)(F)F 2279226975 DHGQEPQOQNEELQ-ZFWWWQNUSA-N 448.283 5.063 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H](Nc2c(Br)cccc2C#N)C(F)(F)CC1 2285173763 XLVOLHJUYNDTFV-HNNXBMFYSA-N 444.320 5.158 30 10 IKEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C 2296300697 LLFAZQBLMMGESA-RTBURBONSA-N 437.422 5.108 30 10 IKEE Cc1ccc(NC(=S)NN=Cc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)cc1 2296405280 VFITZBRRNYWODX-UHFFFAOYSA-N 443.551 5.616 30 10 IKEE CCc1ccc(NC=C2C(=O)c3ccccc3N(Cc3ccc(C)cc3)S2(=O)=O)cc1 2297375450 JXEQXTZSODARQB-UHFFFAOYSA-N 432.545 5.044 30 10 IKEE C=CCN1C(=O)C(=C2Sc3ccccc3N2CC)SC1=Nc1cccc2ncccc12 2297708238 POVZPZQTLHCKRU-UHFFFAOYSA-N 444.585 5.785 30 10 IKEE CCCN[C@H](C#CC1(OC)CCCCC1)CN(Cc1ccccc1)C(=O)OC(C)(C)C 2300793177 UEQAWIFYQDGWCI-HSZRJFAPSA-N 428.617 5.145 30 10 IKEE C=CC[C@@H](C)[C@@H](NCC)c1sc(Br)c(Br)c1Br 2304046781 VJKPYGAFDTXTKJ-GMSGAONNSA-N 446.046 5.898 30 10 IKEE CCOC(=O)[C@H](Oc1ccc2c(c1)OC(=Cc1ccc(CC)cc1)C2=O)c1ccccc1 2314437115 CVFGJCFKITWZMO-AREMUKBSSA-N 428.484 5.548 30 10 IKEE CCOc1ccc2oc(C)c(C(=O)Oc3ccc4c(c3)OC(=Cc3cccnc3)C4=O)c2c1 2314437563 PSXSHATXFKPAEH-UHFFFAOYSA-N 441.439 5.370 30 10 IKEE O=C(C=Cc1ccco1)Nc1ccc(C(=O)C=Cc2ccc(-c3ccc(Cl)cc3)o2)cc1 2314523425 UZFOVSNQEPTXDK-UHFFFAOYSA-N 443.886 6.741 30 10 IKEE CC(C)(C)c1ccc(C=NN=C2SC(=Cc3cccs3)C(=O)N2Cc2ccco2)cc1 2314819055 QYIHQFXSMGJSFQ-UHFFFAOYSA-N 449.601 6.145 30 10 IKEE Cc1ccccc1COc1ccccc1C=NNc1oc([C@H]2C[C@H]2c2ccccc2)nc1C#N 2320836898 DOGRESZFIWZVFC-ZEQRLZLVSA-N 448.526 6.151 30 10 IKEE Clc1ccc(CSc2nnc(C3CC3)n2N=Cc2ccccc2Cl)c(Cl)c1 2320892398 RBUQFNGXDUHQDR-UHFFFAOYSA-N 437.783 6.290 30 10 IKEE Cc1cc(OCc2ccc(F)cc2)cc2c1C(=O)C(=Cc1c(Cl)cccc1Cl)O2 2321802182 MTTSUVTVRUZTBG-UHFFFAOYSA-N 429.274 6.636 30 10 IKEE COc1ccc(CCN2COc3cc(C)c4c(c3C2)OC(=Cc2cccc(F)c2)C4=O)cc1 2321937644 NEHLRQOFYDMVPQ-UHFFFAOYSA-N 445.490 5.154 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2c(C)cccc2C)cc1 2322457365 MUBLYQXKJDGRIW-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccccc2)cc1C(C)C 2322791951 AUJLCBNQNKWDGI-UHFFFAOYSA-N 443.543 6.041 30 10 IKEE CCN(CC)C(=O)COc1ccc2ccccc2c1C=CC(=O)c1cc(C)cc(C)c1OC 2322851652 YXDZBOLCNIXYHR-UHFFFAOYSA-N 445.559 5.609 30 10 IKEE CCCOc1c(OC)ccc(C=CC(=O)c2ccc(OC)c(OC)c2)c1Br 2323057421 MSTDETMCCJKZLW-UHFFFAOYSA-N 435.314 5.160 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1OCc1ccc(Cl)c(Cl)c1 2323126354 BMJJEALBNOPWRF-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE CCCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C)cc2)C3=O)cc1 2323934910 ZWVQHOAYELLZOY-UHFFFAOYSA-N 442.467 5.536 30 10 IKEE CCCOC(=O)COc1c(Cl)cc(C=CC(=O)c2ccc(F)c(C)c2)cc1OCC 2323974967 ZGMFNKRTUMIGCW-UHFFFAOYSA-N 434.891 5.414 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(OC)c(OCc2ccc(C)cc2)c(OC)c1 2323992377 WXXXGYQFTNRENQ-UHFFFAOYSA-N 432.516 5.804 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1F 2324074578 NGNKQECMQLDVNU-UHFFFAOYSA-N 432.535 6.997 30 10 IKEE CCc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4C)ccc3C2=O)cc1 2324406420 SJKCDBPFVVSXOP-SFHVURJKSA-N 427.500 5.580 30 10 IKEE COc1ccc(OC)c(C=C2Oc3cc(OCCOc4cccc(C)c4)ccc3C2=O)c1 2324522585 OSGPLSJIBOYIMR-UHFFFAOYSA-N 432.472 5.086 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@H](C#N)C(=O)C=Cc3ccc([N+](=O)[O-])cc3)n2)c1C 2324722210 GEYJFXNINZSNFU-HXUWFJFHSA-N 431.517 5.842 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@@H](C#N)C(=O)C=Cc2ccc([N+](=O)[O-])cc2)n1 2324725985 AIZANSNUIQLKTM-IBGZPJMESA-N 433.489 5.233 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(Cl)c(Cl)c1 2325512637 TWEJLIVYPDGDAG-UHFFFAOYSA-N 437.371 6.241 30 10 IKEE CCCCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1cccs1 2325532122 LYSKXDFLLOYKRN-UHFFFAOYSA-N 425.410 6.164 30 10 IKEE Cc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc4ccccc4c3)c2)c(C)c1 2325700160 DOJMYAHFTYDCIM-UHFFFAOYSA-N 436.507 6.337 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2cccc(Br)c2)c1)c1ccc(Cl)cc1 2325730396 UINYZMFPIYRUOB-UHFFFAOYSA-N 441.708 6.218 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(F)c(F)c3)c2)cc1 2325734010 ISMYRCWMGPHPFS-UHFFFAOYSA-N 438.426 5.487 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)c1 2325740683 YXBJUEPDBUNBBG-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE O=C(C=Cc1cccc(OC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)c1)c1ccc2c(c1)OCO2 2325747689 KGMPLUPAWYBYGV-NHCUHLMSSA-N 446.886 5.674 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1cccc(Cl)c1 2326075217 YQIFHYSHVZEJJT-UHFFFAOYSA-N 447.391 5.757 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1cccc(Cl)c1 2326338073 KBYHSVIMRBOYED-UHFFFAOYSA-N 441.000 5.666 30 10 IKEE COc1cc(C=Nn2c(CCc3ccc(C)c(C)c3)nnc2SC)ccc1OC(C)C 2328920902 QXLCFCQYYCPQNV-UHFFFAOYSA-N 438.597 5.080 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SC)nnc2-c2ccccc2Cl)cc1OC 2329521995 BYEKBAQWEHIQRP-UHFFFAOYSA-N 444.988 5.780 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3F)n2N=Cc2cccc(O)c2)c1 2329750625 SCZVWZFYRQBTCR-UHFFFAOYSA-N 446.551 5.505 30 10 IKEE COc1cccc(C=Nn2c(Cc3cccs3)nnc2SCc2cc(C)ccc2C)c1 2330393048 QWXUUMKNTKSRSX-UHFFFAOYSA-N 448.617 5.730 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccccc2)n1N=Cc1ccc(N(C)C)cc1 2330461852 XUNXSUOQAWXTDF-UHFFFAOYSA-N 441.604 5.418 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2ccncc2)cc1Cl 2330693005 UCBCDKDJVNSQJL-UHFFFAOYSA-N 440.359 5.821 30 10 IKEE FC(F)(F)c1ccc(C=Nn2c(SCc3ccccc3)nnc2C2CCCC2)cc1 2331069514 JIVSWGIXDXAIBL-UHFFFAOYSA-N 430.499 6.129 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3F)cc2Cl)c1 2331092484 GHWNXVJFPUFACJ-UHFFFAOYSA-N 442.845 6.132 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)cc3)c([N+](=O)[O-])c2)c(C)c1 2331224529 DOQCOZXEKMRHRO-UHFFFAOYSA-N 433.435 5.395 30 10 IKEE Cc1cncc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2[N+](=O)[O-])c1 2331417446 QECZMKIBDAYEGU-UHFFFAOYSA-N 444.487 5.711 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)C)n2N=Cc2c(F)cccc2Cl)c1 2331456353 FCTUBDPKZCHCHP-UHFFFAOYSA-N 430.980 6.060 30 10 IKEE CCOc1cccc(C=Nn2c(CC(C)C)nnc2SCc2cccc3ccccc23)c1 2331464410 LNLMGDJAVNELNF-UHFFFAOYSA-N 444.604 6.203 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)ccc1OC(=O)CCOC 2331596966 CXONIQLTFCKMLT-UHFFFAOYSA-N 446.499 5.716 30 10 IKEE CCCc1nnc(SC)n1N=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2331618113 HGKDHUMLGLXACD-UHFFFAOYSA-N 435.380 5.721 30 10 IKEE C=CCN(C[C@@H](NCCC)c1cc(Br)cc(COC)c1)C(=O)OC(C)(C)C 2362281438 NOOSQYDGFSEHBR-LJQANCHMSA-N 441.410 5.059 30 10 IKEE CCCCCCCCCCC[C@H](O)c1sc(Cl)cc1I 2364117558 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6.050 30 10 IKEE C[C@H]1CCc2c(C#N)c(NC(=O)COc3ccc(Cl)cc3Cl)sc(=S)c2C1 41014135 UWPAJMDKXIEYFT-JTQLQIEISA-N 439.389 5.798 30 10 IKEE C[C@H]1CCc2c(C#N)c(NC(=O)COc3ccccc3Br)sc(=S)c2C1 41015040 UOKDBEXZGOIRJC-NSHDSACASA-N 449.395 5.254 30 10 IKEE CCN1C(=O)C[C@H](C(=O)Nc2ccc(C)cc2C)S/C1=N/c1cccc(C(F)(F)F)c1 58946389 MNFKKEKEUVRFTC-QXOGVRMXSA-N 449.498 5.302 30 10 IKEE CC(=O)/C(=N\Nc1cccc(Cl)c1C)Sc1nc2ccccc2n1-c1ccccc1 59121499 CJPZOZLNEPKGCG-HPNDGRJYSA-N 434.952 6.094 30 10 IKEE Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)CCC1CCCCC1 59240745 VOSYUBAKQBFKPR-NRFANRHFSA-N 429.391 7.256 30 10 IKEE COc1ccccc1-c1nnc(S[C@H](C#N)Cc2ccc(C)cc2)n1-c1ccc(C)cc1 71798044 FWAOOWXMFQCBRH-QFIPXVFZSA-N 440.572 5.787 30 10 IKEE CC[C@H](C)c1ccc(OCC(=O)N(CCC#N)CCc2ccccc2)c(Br)c1 100438210 CYYQUKPRASDOAM-SFHVURJKSA-N 443.385 5.326 30 10 IKEE CCOc1ccc(/N=C2\NC(=O)S\C2=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 110569498 OWCPXCMKUYMIIX-DEDYPNTBSA-N 435.461 5.781 30 10 IKEE COc1cc(/C=N/Nc2ccc(C)c(Cl)c2)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 169879467 YBJMLKPRAZPAKS-DHRITJCHSA-N 439.899 5.899 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\Nc2cn[nH]c(=O)c2Cl)c(Cl)c1 169887399 WUGBPLMZFCICHW-QRVIBDJDSA-N 425.360 5.652 30 10 IKEE COc1cc(/C=N\Nc2nc(-c3ccc(C)cc3C)cs2)cc([N+](=O)[O-])c1OC(C)C 169941268 HXWKRIBPJZDAKH-KSEXSDGBSA-N 440.525 5.577 30 10 IKEE CCCCCOc1ccc(/C=N\Nc2nc(-c3ccccc3OC)cs2)cc1OCC 169941430 LIHVQKOMRVIULN-XYGWBWBKSA-N 439.581 6.232 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccccc2OC)cc1 169945335 IHKNNFIHRBGQRY-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccc(O)cc2)c1C 169960790 XEPDSYTXPWTEOV-DEOSSOPVSA-N 438.483 5.273 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(OC)cc3)[C@@H]2c2cccs2)cc1 169988580 WGHGKNQCQQNESO-JOCHJYFZSA-N 433.529 5.098 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(Cl)ccc2C)[C@H]1c1cccnc1 170006291 DQNCJCLZSMLOHB-QFIPXVFZSA-N 448.906 5.143 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)c(C)c2)[C@H]1c1cccc2ccccc12 170045942 KZBGXTWVRWCICA-XMMPIXPASA-N 429.516 5.071 30 10 IKEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc(Cl)cc1)c1ccc2ccccc2c1 170058466 UXQCCKFLTXYNGG-GMAHTHKFSA-N 447.918 5.251 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccco2)c1 170098050 IEFNYOFNPOMPHN-FQEVSTJZSA-N 446.484 5.071 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1cccs1 170159422 JACHHGKAVUQDTQ-HXUWFJFHSA-N 439.920 5.501 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccs1 170161496 VDTFPVXAVWDRJS-HSZRJFAPSA-N 425.509 5.993 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1cccs1)c1ccc2c(c1)CCCC2 170166921 KFBKANMVFPBBHA-HSZRJFAPSA-N 447.531 5.545 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccccn2)cc1 170172833 UXZJJMPQGMVMHH-XMMPIXPASA-N 442.515 5.270 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccn2)cc1C 170174452 NNOZLIOOMDXVDX-DEOSSOPVSA-N 442.515 5.270 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccccc1)c1c[nH]c2ccccc12 170234143 CIPXGOVRBWFHFU-HSZRJFAPSA-N 426.447 5.086 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(O)c1 170263489 TYEGCSOMZXSYPX-LJQANCHMSA-N 434.319 5.468 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1c1ccc(C#N)cc1 170272662 GLHNDIGPFMIYAV-DEOSSOPVSA-N 433.467 5.131 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1ccco1)c1cc2cc(Cl)ccc2o1 170283782 LLQLJQVUXDJMAO-FQEVSTJZSA-N 435.819 5.168 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@H]2c2ccc(C)o2)cc1C 170300820 BOAJWQAHKNTPHQ-DEOSSOPVSA-N 445.515 5.640 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(Cl)c1)c1ccccc1 170368589 VHQFBYFPDACPDK-FQEVSTJZSA-N 440.282 5.482 30 10 IKEE Cc1cccc(N2C(=O)C(=O)/C(=C(O)/C=C\c3ccccc3)[C@@H]2c2ccc(Cl)cc2)c1 229055109 JJOJGHBTMVKRMC-YDZJGSRISA-N 429.903 5.831 30 10 IKEE COc1ccc(N2C(SC)=NC(=Nc3ccc(Cl)cc3)C23CCC(C)CC3)cc1 252616303 JZCBHVKCCIGOQQ-UHFFFAOYSA-N 428.001 6.567 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)cc1Cl)NCC 406117982 BQGYQRBVYJUGNM-MSOLQXFVSA-N 445.829 5.483 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 526488269 GPITVYBMAFVDEI-OAQYLSRUSA-N 439.273 6.061 30 10 IKEE COc1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1Cl 526488697 MBADCPHAQTYESF-QFIPXVFZSA-N 434.854 5.417 30 10 IKEE COc1cc(/C=N\n2cnnc2SCc2ccccc2F)ccc1OCc1ccccc1 526802165 AUCDIMGACMJEKS-VYYCAZPPSA-N 448.523 5.179 30 10 IKEE CCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1ccc(OC(C)C)c(Cl)c1 526809833 OXVIIADCIDLFPN-MXAYSNPKSA-N 443.016 6.072 30 10 IKEE CC(C)COc1ccccc1/C=N\n1cnnc1SCc1ccc(Cl)cc1Cl 526823842 WLZORIJFVVXIFX-VROXFSQNSA-N 435.380 5.794 30 10 IKEE Cc1ccc(CN(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(OC(C)C)cc2)cc1 586148230 IGNNQIMGDUYUFH-UHFFFAOYSA-N 434.561 5.045 30 10 IKEE C=C(C)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc(CCCCCC)cc1 586230333 FVSLWHAAFTVBEK-UHFFFAOYSA-N 431.598 5.598 30 10 IKEE CC(C)c1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 586250307 BJPCMKPWGMMOMX-UHFFFAOYSA-N 446.616 6.375 30 10 IKEE CC(C)(C)c1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2ccc(Cl)cn2)cc1 586251090 IDQPQKAASAWHEL-UHFFFAOYSA-N 439.968 5.300 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@H](C#N)CN(C(=O)OC(C)(C)C)C(C)(C)C 698381577 VXQQYAYWCLXZHQ-IBGZPJMESA-N 431.577 5.351 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)CC(C)(C)NC(=O)OC(C)(C)C 698486751 QSKYJWGIACKPTE-INIZCTEOSA-N 433.549 5.022 30 10 IKEE C[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)CCN1C(=O)OC(C)(C)C 698886606 FYXIOFJITGSWCJ-HJPURHCSSA-N 433.524 5.249 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@@]1(C#N)C[C@@H]2C[C@@H](CN2Cc2ccccc2)C1 716628357 JVZRLFVPWAPLDZ-YZIHRLCOSA-N 435.543 5.514 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CC[C@H]2CCCC[C@H]2C1 723615748 SETIVPJIYJDCCW-HYFFOGBASA-N 433.390 6.443 30 10 IKEE CC(C)Oc1ccc(/C(=N/OCc2cc(=O)c(OCc3ccccc3)cn2C)C2CC2)cc1 821228427 LMWOWVBXKZCEEC-BYYHNAKLSA-N 446.547 5.082 30 10 IKEE O=C1/C(=C/c2ccc(N3CCCCC3)o2)SC(=Nc2ccccc2)N1c1ccccc1 1084101116 BGJAFRNNYGUZSJ-IFCGMKHDSA-N 429.545 6.079 30 10 IKEE C=CCOc1ccccc1CN(C(=O)c1cc(O)nc(C2CC2)n1)c1ccc(C)c(C)c1 1465003498 JVSMGRORYWYQTJ-UHFFFAOYSA-N 429.520 5.088 30 10 IKEE O=C1/C(=C/c2cccc(Br)c2)SC(=Nc2nccs2)N1c1ccccc1 1772732353 ADJAHZCJZYUKRU-PALNNIJKSA-N 442.363 5.714 30 10 IKEE COc1cccc(/C(C)=C2/SC(=Nc3cccc(C(=O)O)c3)N(c3ccccc3)C2=O)c1 1772737217 PDMGQNBCONFEPN-SBECIKHMSA-N 444.512 5.592 30 10 IKEE Fc1c(F)c(F)c(-c2cncc(-c3c(F)c(F)c(F)c(F)c3F)c2Cl)c(F)c1F 1848358542 KSRITINYAUTQRR-UHFFFAOYSA-N 445.643 6.460 30 10 IKEE N#Cc1c(NC(=O)CCc2ncc(-c3ccc(Cl)c(Cl)c3)o2)sc2c1CCC2 1859749245 MQAOIZYICINXBO-UHFFFAOYSA-N 432.332 5.642 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C(C)C)cc1OCC 1862439166 VZOJIENMOANANC-NRFANRHFSA-N 443.927 5.124 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc2ccccc12 1862449696 QKKCYSJTOKEBTB-DEOSSOPVSA-N 447.962 6.652 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2cccc(O)c2)c1 1862490550 YRHSFHRKPXYQHR-DEOSSOPVSA-N 433.548 5.700 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccccc1Br 1862510115 WUYOWCUWVOCMRD-LJQANCHMSA-N 446.316 5.275 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1cccc2ccccc12 1862619725 BCUDRHISDISWJS-VWLOTQADSA-N 441.571 6.516 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1Cc1ccccc1 1862649327 VUJFQTOAHHXVBE-SANMLTNESA-N 433.507 5.927 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc(O)cc1)c1cccc2ccccc12 1862649807 HECFNKFOKCVDQT-VWLOTQADSA-N 435.479 5.324 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(F)cc1F 1862651422 SEYHMZASJMRPEX-HSZRJFAPSA-N 435.470 5.887 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(F)cc1F 1862659797 AUFUVGCTBVYPPY-QFIPXVFZSA-N 443.490 5.093 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccc(Cl)c1 1862660061 FYOKYTMJAWDGGU-OAQYLSRUSA-N 427.928 5.078 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 1862663003 NBROHADINHGNTP-QHCPKHFHSA-N 431.488 5.190 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2cccc(O)c2)cc1 1862663663 VMHRELGSJIJVGS-CJAUYULYSA-N 441.527 5.855 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCc2cccs2)cc1 1862677379 ARQWPEYZGFYXGP-QHCPKHFHSA-N 449.547 5.832 30 10 IKEE CCCOc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3cccc(C)c3)C2=O)cc1 1862972599 WXYGQURQJXYPHU-UHFFFAOYSA-N 437.499 5.052 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2C(C)(C)C)=C(c2ccc(C)cc2)C1=O 1863275200 HAZVPUSSJYSQGN-UHFFFAOYSA-N 446.635 6.845 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Oc3ccccc3)cc2)=C(c2c[nH]c3ccccc23)C1=O 1863494194 GVCMFZXHOBSOFZ-UHFFFAOYSA-N 435.483 5.338 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(C2=NCCN2)cc1 1866029970 RVFJMOYQQJHTQP-UHFFFAOYSA-N 427.677 7.236 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1ccccc1N1CCOCC1 1866030117 ZUNVUHSFFOLPKN-UHFFFAOYSA-N 444.704 7.723 30 10 IKEE CCOC(=O)c1c(-c2ccc3c(c2)CCCC3)csc1NC(=O)c1cccc(C#N)c1 1866100149 PSRUKVRTEAYTRX-UHFFFAOYSA-N 430.529 5.595 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)/C=C/c2ccc(C)cc2)n(-c2ccc(Cl)cc2)n1 1870002594 QJGQWAJKAQOCLA-XNTDXEJSSA-N 433.943 5.059 30 10 IKEE CCCCOc1ccc(-n2nnc(C#N)c2NC(=O)/C=C/c2ccc(C(C)C)cc2)cc1 1870140677 DLYIDPNPHNTRPL-OVCLIPMQSA-N 429.524 5.093 30 10 IKEE C=CCn1cc(OCc2c(Cl)cccc2Cl)c(=O)cc1CSc1ccc(C)cc1 1870162950 ALWOLHIRDSQGLJ-UHFFFAOYSA-N 446.399 6.521 30 10 IKEE CC1CCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCC2=CCCCC2)CC1 1870350506 IZVNVDCYMXQSHM-UHFFFAOYSA-N 445.607 5.421 30 10 IKEE C=CCOc1cn(CCCCCCCC)c(CN(CC)CCc2ccncc2)cc1=O 1870385192 MIOIWZBWEMMTDA-UHFFFAOYSA-N 425.617 5.233 30 10 IKEE C=CCn1cc(OCCOc2ccc(Cl)cc2)c(=O)cc1CN(CCC)CCCC 1870456806 LVMIDVYCCQPZMJ-UHFFFAOYSA-N 432.992 5.158 30 10 IKEE CCCCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CNc1cccc(C)c1 1871059497 IYRUJBWYXRCHFJ-UHFFFAOYSA-N 438.656 7.255 30 10 IKEE CCCCCCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1cccc(Cl)c1)C3=O 1871348346 ADNRCMPNYARBQR-HAHDFKILSA-N 439.983 6.777 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(C(C)(C)C)cc1)C3=O)CN([C@H]1CCCC[C@@H]1C)CO2 1871356107 VMXHXVSVYWLXHI-SODBCOLKSA-N 445.603 6.639 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc([N+](=O)[O-])c(C)c4)ccc3C2=O)cc1 1871373347 BDXQNBZQYMXIEZ-QRVIBDJDSA-N 445.427 5.137 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2sccc2C)C3=O)c(C)c1 1871413483 HSDWPVQXHIIPGU-FPJJECCMSA-N 447.556 6.004 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(OC)cc1)C2=O 1871424451 KBJRBXYLWQKYII-OYKKKHCWSA-N 443.499 5.200 30 10 IKEE Cc1c(OCC(=O)N[C@H](C)c2ccccc2)ccc2c1O/C(=C\C=C\c1ccccc1)C2=O 1871424645 QKJXEUBCNMHPKM-CCLHDWEMSA-N 439.511 5.424 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc(Cl)c4C)cc(C)c3C2=O)o1 1871427594 LEDDWOWYBKQQFY-FBHDLOMBSA-N 437.879 5.492 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OCc3ccc(C(=O)OC(C)C)o3)cc(C)c2C1=O 1871439404 XOXKAHMTPXXSFR-FMCGGJTJSA-N 448.471 5.357 30 10 IKEE Cc1cc(OCC(=O)Nc2c(F)cccc2F)cc2c1C(=O)/C(=C/c1ccccc1F)O2 1871440806 IWJMNFDDTMCHIQ-JMIUGGIZSA-N 439.389 5.046 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2cccs2)C3=O)cc1 1871450091 AOKYVTIZFGLRTK-ZGWJWYQGSA-N 447.556 6.204 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(F)cc2)[nH]c(N(CCC)CCC)n1 1871515542 AKKBHWVYVWUILL-UHFFFAOYSA-N 444.643 6.355 30 10 IKEE C=CCN([C@@H](C)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1872213540 PYBSEWHOZSUUEP-FQEVSTJZSA-N 442.625 5.113 30 10 IKEE COc1cc(OC)cc(C(=O)[C@@H](C#N)c2nc(-c3cccc(Br)c3)cs2)c1 1872763001 BSESUVQEKWLJDH-QGZVFWFLSA-N 443.322 5.080 30 10 IKEE N#C[C@@H](C(=O)Cc1c[nH]c2ccccc12)c1nc(-c2ccc(Br)cc2)cs1 1872765151 IPOSLSHCIFZMQR-KRWDZBQOSA-N 436.334 5.473 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)COc3c(C)ccc(C)c3C)n2)cc1 1872765401 OBWDZWWAMRVHPS-JOCHJYFZSA-N 432.589 6.333 30 10 IKEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccc4ccccc4c3)n2)c(C)c1 1872769232 MYDTXOOVFZEXMC-DEOSSOPVSA-N 440.568 6.616 30 10 IKEE CCOC(=O)Oc1ccc(C(=O)[C@H](C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1 1872778487 MDNZBFMJMZWERL-FQEVSTJZSA-N 448.544 6.069 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)COc3ccc(C)cc3C)n2)cc1C(C)C 1872779671 OUWGVLDVVRUWFJ-NRFANRHFSA-N 448.588 6.123 30 10 IKEE COc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1OC 1872789763 UPKAAZJMMMQPGR-MASHWEEQSA-N 430.938 5.432 30 10 IKEE C=CCNC(=O)c1c(NC(=O)[C@@H](Cc2ccccc2)c2ccccc2)sc2c1CCCC2 1873442036 CNGLWAXCPHCSQG-QFIPXVFZSA-N 444.600 5.508 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccccc1 1874363732 UJHPXHGQPNHRKY-WPWMEQJKSA-N 447.007 6.200 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3ccccc3C)nnc2[C@H](C)c2ccccc2)cc1 1874392437 LWRQVFIYQFUILR-YFHGFKKUSA-N 440.616 6.475 30 10 IKEE Fc1cccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2cccc(Cl)c2)c1 1874406409 JABXMYVXSKITFX-CVKSISIWSA-N 442.991 6.368 30 10 IKEE COc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2)cc1OC 1874417063 WFUNWHOKBOMGNG-YZSQISJMSA-N 444.560 5.061 30 10 IKEE Clc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2ccc[nH]2)cc1Cl 1874419261 FVYGTFNPOPMKQI-DHRITJCHSA-N 442.375 5.678 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2sccc2C)cc1 1874426989 LGLBAMDWDBVCIQ-ZVHZXABRSA-N 447.589 5.236 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2[C@@H]2CCCO2)c1 1874441876 LMTFZFYYHCDOCJ-LWROZRRASA-N 436.581 5.401 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2cccc(C)c2)nnc1C(F)(F)F 1874459291 GJSGVLQBRMHSDX-DHRITJCHSA-N 432.471 5.345 30 10 IKEE CCSc1nnc(CC(C)C)n1/N=C/c1cccc(OC)c1OCc1cccc(C)c1 1874488202 PQZQAVKBZYHZGL-MFKUBSTISA-N 438.597 5.367 30 10 IKEE Cc1cccc(COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c1 1874570392 XSHYXPCCLCOLBT-JQIJEIRASA-N 438.954 7.791 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)NCc2ccccc2)cc1C 1874573979 OOMRBRYNRSPGGH-DHZHZOJOSA-N 449.934 5.248 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1OCc1ccc(C)cc1 1874593446 KGSZZFXJUFNMKA-YRNVUSSQSA-N 427.327 6.786 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(OC)c1OCc1cc(C)ccc1C 1874605688 AJVLBNPHUNTNCL-BUHFOSPRSA-N 442.555 6.524 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 1874617062 IPFRTEKUPGXQDZ-WLRTZDKTSA-N 435.451 5.998 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2OC)cc(OC)c1OCc1ccc(C)cc1 1874619721 OXYJBTCMPVDGQE-BUHFOSPRSA-N 442.555 6.524 30 10 IKEE C=C(C)COc1c(Cl)cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1OC 1874627610 XAMBZCOKOOOZBJ-NTEUORMPSA-N 434.919 6.992 30 10 IKEE O=C(Oc1cccc(/C=C/C(=O)c2ccccc2Cl)c1)c1cccc(Br)c1 1874697189 VQFSIHQLLQTAHQ-VAWYXSNFSA-N 441.708 6.218 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)c1)c1ccc([N+](=O)[O-])cc1 1874697821 BTSJDZIDFJVEDI-GTGIDHPJSA-N 447.874 5.853 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2cccc(/C=C/C(=O)c3c(C)cc(C)cc3C)c2)c1 1874716515 WAGXWWYLFXHBEK-PKNBQFBNSA-N 444.527 5.673 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)c1sccc1C 1875112005 VIHRHCILXMUVIA-BQYQJAHWSA-N 447.339 6.487 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc(C)cc(C)c3)c([N+](=O)[O-])c2)cc1 1875114424 SXIAOYRMMMORPW-ONNFQVAWSA-N 431.444 5.336 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(Cl)cc1 1875116318 VYAJEXSSMVPJHC-SWGQDTFXSA-N 437.835 5.372 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)c1ccc(F)c(F)c1 1875119972 VVKBHEYCPHAWRT-XYOKQWHBSA-N 438.426 5.487 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3ccco3)c(OC)c2)cc1 1875137244 COMIWDLGOIAJDJ-KPKJPENVSA-N 436.460 5.201 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1ccc(Cl)cc1 1875163266 CIJNAJUMBFLUPD-WTDSWWLTSA-N 428.818 5.742 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3C)cc2)c(OC)c1 1875179230 WHDBKTQBOHGPFG-MHWRWJLKSA-N 430.500 5.447 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)cc2)c(C)c1 1875182722 RIRCAWMMTBUBKJ-RMKNXTFCSA-N 428.572 6.630 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@]1(C#N)CCN(Cc2ccccc2)C(C)(C)C1 1880493572 ZFOJVBITRQALCD-HHHXNRCGSA-N 433.596 5.761 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)C3CC4(C3)CC(c3ccccc3)C4)cc21 1890691895 YZXBJAATPVHMNO-UHFFFAOYSA-N 444.575 5.537 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CC1(CNC(=O)OC(C)(C)C)CCCC1)NCCC 1922055195 PJRWQORTYMIPJZ-HSZRJFAPSA-N 430.633 5.603 30 10 IKEE CC1(C)C[C@H]([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)N(C(=O)OC(C)(C)C)C1 2033723344 NWAYDFHDERDOKG-MOPGFXCFSA-N 447.551 5.495 30 10 IKEE COc1ccc(C=C2C[C@H](C(C)(C)C)Cc3c2nc2ccccc2c3C(=O)OCC#N)cc1 2042440594 NJORMWDVDORMNK-FQEVSTJZSA-N 440.543 6.073 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@H]3C[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)cc1 2046020946 YBUDTMGADNFLID-WVSSGHNYSA-N 441.572 5.322 30 10 IKEE CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)(F)F 2060413082 NAZRPTLPDOCUSD-UHFFFAOYSA-N 430.126 6.109 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@H](C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2077947685 KLEZGUAUHRZPPO-QFBILLFUSA-N 447.551 5.495 30 10 IKEE Cc1cc(O)c([C@@H](C2CCC2)n2nc(C3CCC3)c(C=NO)c2Br)cc1C 2079997907 JLMTXOXINHKIQH-HXUWFJFHSA-N 432.362 5.433 30 10 IKEE ON=Cc1c(C(F)F)nn([C@H](c2ccc(C3CCC3)cc2)C2CCC2)c1Br 2080004821 GHVQRBKLKSFHEX-SFHVURJKSA-N 438.316 6.048 30 10 IKEE CCc1nn([C@H](c2ccc(C(F)(F)F)cc2)C(C)(C)C)c(Br)c1C=NO 2080048845 YJXANYBHCKIBAB-OAHLLOKOSA-N 432.284 5.670 30 10 IKEE Fc1cc(-c2cc(Cl)n3nc(C(F)(F)F)c(C4CCC4)c3n2)cc(C(F)(F)F)c1 2081200032 GRUQKSRYPRZQPR-UHFFFAOYSA-N 437.746 6.494 30 10 IKEE CN[C@@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)C1CCCCCC1 2086676141 MEABODCRCUJMCP-NDEPHWFRSA-N 432.656 5.073 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(Cc3ccccc3)C(C)(C)C2)c1 2135149091 GOSSEEXIGJMSIP-HHHXNRCGSA-N 449.595 5.774 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H](Nc2cc(Br)c(C#N)cc2F)C1 2162337933 MUXJUTHBVNAZFD-KRWDZBQOSA-N 438.341 5.051 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(CCC[C@@H]2Nc2cc(Br)cc(F)c2C#N)C1 2163689449 GFNDIVOJDLVPAY-PXNSSMCTSA-N 438.341 5.051 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H](CNc2cc(Br)cc(F)c2C#N)C12CCC2 2177339677 RFMGXQXYCOFWQG-CYBMUJFWSA-N 438.341 5.051 30 10 IKEE N#CC[C@@H](C(=O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1ccccc1 2191337496 ULGPSVMOCZYSEI-HHHXNRCGSA-N 447.534 6.725 30 10 IKEE CC(C)(C)OC(=O)NC1CCC(CC[C@H](O)C#Cc2ccccc2Br)CC1 2235736000 WBSNBHCWLMSOGP-KVZIAJEVSA-N 436.390 5.025 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)[C@@](C)(CC)CNC(=O)OC(C)(C)C 2235748072 WFTXDUXGQWJKQT-UGKGYDQZSA-N 437.422 5.110 30 10 IKEE C=CCCCCC[C@@H](NCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248463827 VBVNWYAIDSPMMU-HSZRJFAPSA-N 430.633 5.555 30 10 IKEE C=C(C)CCCC[C@@H](NCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2271751698 ZEGYIKYHWJNTOS-LJQANCHMSA-N 425.411 6.583 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Cl)cc1[C@@H](O)C#Cc1cccc(Br)c1 2278743431 GJLIWIZHMXVVSD-SFHVURJKSA-N 436.733 5.535 30 10 IKEE CCc1ccccc1N=C1SC(=Cc2ccc3c(c2)OCO3)C(=O)N1C1CCCCC1 2293713064 SMEIBFKIOWIDLV-UHFFFAOYSA-N 434.561 5.914 30 10 IKEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(Cl)cc2)cc1 2296133088 YFTNJXYEULJUHS-LJQANCHMSA-N 438.936 5.348 30 10 IKEE CC(C)(C)OC(=O)NCC1CCC(CC(=O)C#Cc2cccc(Br)c2)CC1 2296223508 AOXVWBJLTHWBGP-UHFFFAOYSA-N 434.374 5.091 30 10 IKEE COc1cc(C(=O)Oc2ccc(C(=O)C=Cc3ccc(C)cc3)cc2)cc(OC)c1OC 2296798487 ZSEHRJAFDSMNJB-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE CCCCCCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)C(=Cc3cnn(C)c3)C[C@@H]12 2297110562 WVXXEBLHRGPWQV-CITHKVLSSA-N 446.635 6.498 30 10 IKEE C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC(=Cc1ccnn1-c1ccccc1)C2=O 2297556303 PSHMDRHQJHJFAC-SPXXJPMQSA-N 442.603 5.758 30 10 IKEE CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2299165542 YNHLTHVYXFNLBL-QZTJIDSGSA-N 433.524 5.105 30 10 IKEE O=C(C=Cc1ccc(Cl)cc1Cl)c1ccc(OC(=O)c2ccc3c(c2)OCO3)cc1 2314429516 IVWNHQWKWACNLE-UHFFFAOYSA-N 441.266 5.837 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)c1 2318876540 OMHBISLBFPEZPT-VAMGGRTRSA-N 445.560 5.022 30 10 IKEE Cc1ccccc1COc1ccc(C=NNc2oc([C@@H]3C[C@H]3c3ccccc3)nc2C#N)cc1 2320836880 DMJQITRMLOZLON-LOSJGSFVSA-N 448.526 6.151 30 10 IKEE FC(F)(F)c1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CC2)cc1 2320880641 ADNUNCWJJLGWOR-UHFFFAOYSA-N 436.890 6.002 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1cccs1)O3)CN(CCc1c[nH]c3ccccc13)CO2 2321911372 UZXFZWLTNBFCEH-UHFFFAOYSA-N 442.540 5.549 30 10 IKEE COc1cccc(C=C2Oc3c(ccc4c3CN([C@@H](C)c3ccccc3)CO4)C2=O)c1OC 2322092449 NGEWUWSFSNPXMS-KRWDZBQOSA-N 443.499 5.233 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccccc1F)C3=O)CN(Cc1ccccc1Cl)CO2 2322305724 SHGZURSNUCQJGK-UHFFFAOYSA-N 435.882 5.756 30 10 IKEE Cc1cccc(NC(=O)COc2ccccc2C=CC(=O)c2cccc3ccccc23)c1C 2322714694 HODMABLQSYJIPG-UHFFFAOYSA-N 435.523 6.370 30 10 IKEE O=C(COc1ccccc1C=CC(=O)c1cccc2ccccc12)Nc1ccc(F)cc1 2322714761 NGKDBXQTSZOSFM-UHFFFAOYSA-N 425.459 5.893 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)cc1OC 2323460873 XRYHVHZHMUYSOJ-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE CCCOC(=O)COc1c(Cl)cc(C=CC(=O)c2ccc(OC)c(C)c2)cc1OCC 2323562427 KOAXSYMMZBOHIK-UHFFFAOYSA-N 446.927 5.284 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)c(Cl)c2)cc1 2323628192 CAPZCEKSRFVFRI-SFHVURJKSA-N 449.934 5.501 30 10 IKEE COc1ccc(-c2csc(NN=Cc3cc(Br)ccc3OC)n2)c(OC)c1 2323840118 NELCLOAUSNTWIX-UHFFFAOYSA-N 448.342 5.044 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)c1 2323943817 VGVOAPXAZGYZRO-UHFFFAOYSA-N 437.898 6.010 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(OC)c(OCc3ccc(C)cc3)c(OC)c2)c(C)c1C 2324304734 GWORMUQFRKBMAS-UHFFFAOYSA-N 446.543 6.113 30 10 IKEE Cc1c(O[C@@H](C)C(=O)OC(C)C)ccc2c1OC(=Cc1c(Cl)cccc1Cl)C2=O 2324305493 RPWGOVIQGCSJIT-ZDUSSCGKSA-N 435.303 5.637 30 10 IKEE C[C@@H](Oc1ccc2c(c1)OC(=Cc1c(F)cccc1Cl)C2=O)C(=O)Nc1ccccc1 2324400467 GIWRSNVYDXNYSD-CQSZACIVSA-N 437.854 5.501 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OCc1cccc(F)c1 2324455950 ZULKDWYBZUJVJX-UHFFFAOYSA-N 430.519 6.655 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OCc2ccccc2C)c(Cl)c1 2324510458 NDYBCHTVGNBMFD-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE C=C(C)COc1c(OC)cc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1OC 2324589089 JUKDKSAABDYNTO-UHFFFAOYSA-N 437.319 5.870 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccccc2F)C3=O)c(Cl)c1 2325292232 FXQNAGUEFHSIIU-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE Cc1ccc(CCOc2cc(C)c3c(c2)OC(=Cc2ccc(-c4ccccc4)cc2)C3=O)cc1 2325372728 SDTIMFLPNIQISB-UHFFFAOYSA-N 446.546 7.208 30 10 IKEE Clc1cccc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccncc2)c1 2325467348 DXOBJGOAMKPVQN-UHFFFAOYSA-N 433.968 5.286 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(-c4ccccc4)cc3)c2)cc1 2325719165 JCVCRFKKQMAVQE-UHFFFAOYSA-N 434.491 6.478 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1OC(=O)Cc1ccc(F)cc1 2325756985 LSWXFAOMSXEPER-UHFFFAOYSA-N 448.490 5.504 30 10 IKEE CCCOc1ccc(C=Nn2c(C)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1Cl 2326810073 ZXMQKLJKWFALNU-UHFFFAOYSA-N 445.932 5.111 30 10 IKEE Fc1ccc(CSc2nnc(Cc3ccc(Cl)cc3)n2N=Cc2ccccc2)cc1 2329077766 SSZSGFIRHJCOJB-UHFFFAOYSA-N 436.943 5.836 30 10 IKEE Fc1ccccc1Cc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccccc1 2329768746 MAYADOCXZPKOTM-UHFFFAOYSA-N 436.943 5.836 30 10 IKEE Cc1ccc(C)c(CSc2nnc(COc3ccccc3)n2N=Cc2cccs2)c1 2329919019 FOTDVUNCHHCUBQ-UHFFFAOYSA-N 434.590 5.710 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(-c2cccs2)n1N=Cc1cccnc1 2330592045 SKCSGCDJJIDWTA-UHFFFAOYSA-N 446.388 5.883 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2OC)cc1 2330647886 FGOVWMROJPSULG-UHFFFAOYSA-N 431.444 5.281 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4ccccc4c3)cc2Cl)c1 2330659024 HOJMMACXAOECKV-UHFFFAOYSA-N 442.898 6.617 30 10 IKEE COc1ccc(C=Nn2c(SCCc3ccccc3)nnc2-c2ccccc2)cc1OC 2330675163 ZIQIAOPHWJOVHU-UHFFFAOYSA-N 444.560 5.179 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OC(=O)[C@H]1CCCO1 2330700930 BGZOXVSZZXXFTA-RUZDIDTESA-N 446.543 5.283 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)ccc1OC(=O)Cc1ccc(C)cc1 2330763072 OLXWFBRQOWCIFF-UHFFFAOYSA-N 428.528 6.000 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(OC)c2)cc(OC)c1OC(=O)c1sccc1C 2330798557 OCJWCROSEYBBKN-UHFFFAOYSA-N 448.540 5.918 30 10 IKEE Oc1ccc(Cl)cc1C=Nn1c(SCc2ccccc2Cl)nnc1[C@@H]1CCCO1 2330968088 YGKLDKQAFHQELH-SFHVURJKSA-N 449.363 5.317 30 10 IKEE Fc1ccccc1CSc1nnc(C2CCCC2)n1N=Cc1c(Cl)cccc1Cl 2331071767 JLLKIIMZSFWSJJ-UHFFFAOYSA-N 449.382 6.556 30 10 IKEE COc1cccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CCCC2)c1O 2331092964 JALZSDHDVOJBIU-UHFFFAOYSA-N 442.972 5.478 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2OC)CC1 2331235001 DGDSXLLONIMLCQ-UHFFFAOYSA-N 448.603 7.110 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(C)c([N+](=O)[O-])c1 2331293472 OZWLOWCXIZGQGT-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE COc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C(C)(C)C)cc1O 2331402886 CROZGJKVYHKZSS-UHFFFAOYSA-N 446.576 5.618 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(C3CCC3)n2N=Cc2ccc(Cl)cc2)o1 2331512085 FEDYOGFUONNNOV-UHFFFAOYSA-N 444.944 5.143 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2[N+](=O)[O-])cc1C 2331706674 JFYWQUTZHGYVFX-UHFFFAOYSA-N 443.499 5.873 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CSc3ccccc3)cc2)c(OC)c1 2331716870 GDXCKHNTQPXPKD-UHFFFAOYSA-N 434.513 5.298 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc1Cl 2331817046 BECGXFXHJRLIOY-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE COC1(C#C[C@H](O)c2ccc(Br)cc2NC(=O)OC(C)(C)C)CCCCC1 2363524203 PTAMVMWFDOWACT-SFHVURJKSA-N 438.362 5.182 30 10 IKEE Cc1cc(Oc2cc(NC(=O)OC(C)(C)C)c(C)cc2Br)c(C#N)c(C)n1 2370352370 AYMOCECTLXHSNG-UHFFFAOYSA-N 432.318 5.780 30 10 IKEE C=C(C)COc1cccc(NC(=O)COc2ccc([C@H](C)CC)cc2Br)c1 14832086 JIFLAFBMXZVTDK-MRXNPFEDSA-N 432.358 5.935 30 10 IKEE O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccccc1)n1c(nc3ccccc31)N2 17094637 NFDFMDOJNZSNTL-IQGLISFBSA-N 425.919 6.105 30 10 IKEE O=[N+]([O-])c1ccc(N/N=C/c2cc(Br)ccc2OCc2ccc(F)cc2)cc1 33958122 OTMRTXZTKLMUNW-FSJBWODESA-N 444.260 5.521 30 10 IKEE C=CCOc1ccccc1/C=C1\S/C(=N/c2cccnc2Cl)N(c2ccccc2)C1=O 39864019 YUJHOPSDVMIXGB-GPPFYFJFSA-N 447.947 6.108 30 10 IKEE CCNc1ncnc(Nc2cc(Cl)c([C@@H](C#N)c3ccc(Cl)cc3)cc2C)c1N 40688619 XMWJMQVXKQOSQL-INIZCTEOSA-N 427.339 5.505 30 10 IKEE COc1cccc2cc(C(=O)Oc3cc(C)c4c(c3)O/C(=C\c3ccc(C)cc3)C4=O)oc12 41353999 QSZIECUVZQZFSR-UUYOSTAYSA-N 440.451 5.894 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(cc3c(c2C)OCN(CCc2ccc(F)cc2)C3)C1=O 41588724 VYBDMOBBZUFNBN-MTJSOVHGSA-N 435.520 5.515 30 10 IKEE COc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccc(C)cc2)C4)cc1 41646619 JNMPSLPPHOEILL-CFRMEGHHSA-N 427.500 5.280 30 10 IKEE CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)Nc2cccc(OCCCC#N)c2)cs1 59770713 ZSEZJQGEZWGJJM-OUKQBFOZSA-N 446.532 5.162 30 10 IKEE C=CCN1C(=O)c2ccccc2N[C@@]1(CC)c1ccc(OCCOc2ccccc2)cc1 66133576 OFJWBYYMZJCZMS-HHHXNRCGSA-N 428.532 5.461 30 10 IKEE C=C(CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]1CC[C@H]1[C@H]2CC[C@H]2C(C)(C)[C@@H](O)CC[C@]12C 87493058 XTMCMWDQTSZMIH-DRPKDRLESA-N 446.716 6.111 30 10 IKEE CCCCCCCOc1cccc(NC(=O)CNc2cccc(C(=O)NCCC)c2)c1 100104160 JWOPEGOSTCYIAA-UHFFFAOYSA-N 425.573 5.226 30 10 IKEE Cn1c(N)c(-c2nc3ccccc3s2)s/c1=N\C(=N\c1ccccc1)c1ccccc1 102478839 HPYPDSBZLJMRTH-AIPMRTLFSA-N 441.585 5.625 30 10 IKEE CCCCCCCN1C(=O)[C@@H](CC)Oc2ccc(-c3csc(-c4ccccn4)n3)cc21 103754250 KAFCVODRKRQESR-JOCHJYFZSA-N 435.593 6.347 30 10 IKEE COc1ccc(-c2csc(N/N=C\c3cc(Br)cc(OC)c3OC)n2)cc1 169940142 XZRLQDAAFPTIKS-FBHDLOMBSA-N 448.342 5.044 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2ccc(C)c(C)c2)=C(N2CCC(C)CC2)C1=O 170000732 NGMLKBGJKZVMOH-UHFFFAOYSA-N 438.656 6.256 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2ccccc2C)cc1 170029705 FHFRDRFCGZNVAH-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccc(C(C)C)cc2)s1 170067657 ZWABWNPHMKTQGK-OAQYLSRUSA-N 447.560 5.057 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2cccnc2)cc1C 170187531 CGPCMZTWFNWFTJ-DEOSSOPVSA-N 442.515 5.188 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccncc2)ccc1Cl 170200254 YHWFJNDMBLGGLW-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccncc2)cc1 170203777 SZXNHIBFZUKVEU-QFIPXVFZSA-N 448.906 5.307 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccccc2)c1 170225411 WARCHGKZUNHMEV-XMMPIXPASA-N 427.500 5.485 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2)cc1C(C)(C)C 170231365 BBCYFUHDVISWLI-XMMPIXPASA-N 447.575 5.904 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2)cc1C(C)(C)C 170233836 XAILCBHWSRYFDC-QHCPKHFHSA-N 433.548 5.514 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2C)cc1 170269916 ZIROVANGAHXZCH-QFIPXVFZSA-N 433.529 5.234 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1ccco1 170288093 NRYYTNWQAXREPH-NRFANRHFSA-N 449.846 5.471 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(C)o2)c1 170297963 BBPRVUIWSSDKHE-OAQYLSRUSA-N 437.517 5.217 30 10 IKEE CC1=NN(C(=Nc2nnc(C)s2)N2CCc3ccccc3C2)[C@@H](c2ccc(C)cc2)S1 252621056 MRYZLGGBZOLKEJ-OAQYLSRUSA-N 448.621 5.282 30 10 IKEE C=CCN1C(=O)/C(=C2/Sc3ccccc3N2C)SC1=Nc1ccc2ncccc2c1 254304025 UPCHTFZTFAPMCZ-XJIBWINFSA-N 430.558 5.395 30 10 IKEE CC[C@H]1CCCCN1c1ccc([N+](=O)[O-])cc1C=Nc1ccc2c(c1)oc1ccccc12 254589605 KSBOFSXCICFQQR-FQEVSTJZSA-N 427.504 7.014 30 10 IKEE CC[C@@H]1CSC(=Nc2ccccc2C(F)(F)F)N1Cc1ccc(Cl)cc1Cl 254808270 ODDXNUYEEPETJJ-CQSZACIVSA-N 433.326 7.027 30 10 IKEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(O)nc2ccc(Br)cc12 523105137 CMONEYJZDBSUKO-UHFFFAOYSA-N 437.746 5.246 30 10 IKEE CC(C)COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccs2)cc1 526487565 BMHJNQRPFXVVAT-QHCPKHFHSA-N 430.529 5.712 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccccc2OC)c1 526517160 SLHFCJXMEBPRHM-XMMPIXPASA-N 426.472 5.023 30 10 IKEE Cc1ccc(SC2=C(Nc3cccc(C#N)c3)C(=O)N(c3cccc(C)c3C)C2=O)cc1 526660052 DMPBLIXUPCTOKF-UHFFFAOYSA-N 439.540 5.473 30 10 IKEE CCOc1cc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Cl)cc2)ccc1O 526708441 OVTQYAFLYYPZCX-QFIPXVFZSA-N 449.890 5.227 30 10 IKEE CC(C)(C)c1cc(/C=N\n2cnnc2SCc2ccc(F)cc2)cc(C(C)(C)C)c1O 526801121 AXSRYWFYAZEDNY-WKIKZPBSSA-N 440.588 5.892 30 10 IKEE CCCOc1ccc(/C=N\n2c(CCC)nnc2SCc2ccccc2F)cc1Cl 526803541 YUYIIQZUICEBLW-QFEZKATASA-N 446.979 5.986 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1cccc(OC)c1OCC 526804953 BCIXGDNQZGWAFD-XYGWBWBKSA-N 438.597 5.511 30 10 IKEE Cc1cc(C)cc(CSc2nnc(Cc3ccccc3)n2/N=C\c2sccc2C)c1 526809552 NRFCCUVOZNSIQN-MYYYXRDXSA-N 432.618 6.030 30 10 IKEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1ccc(OC(C)(C)C)cc1 526815025 SMESRQGYDZSJGG-MSXFZWOLSA-N 449.407 6.245 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(NC(=O)c3ccccc3Cl)CC2)c1 585825349 FWBNIAWSNPNNHZ-UHFFFAOYSA-N 439.987 5.212 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(CC#N)c2ccc(N3CCCC3)cc2)cc1 586234332 XXUHUVDFBPMTCG-UHFFFAOYSA-N 425.598 5.128 30 10 IKEE Cc1ccc(-c2csc3ncnc(Nc4ccc(OCc5ccccc5C#N)cc4)c23)cc1 586472750 OYXYVXHHCNCKIC-UHFFFAOYSA-N 448.551 6.861 30 10 IKEE CC(C)(C)OC(=O)N(C[C@H]1CCCO1)[C@H](C#N)c1ccc(Br)c(Cl)c1 698471450 MCCADCSBZPUDSG-CZUORRHYSA-N 429.742 5.083 30 10 IKEE C#CCOc1ccc(C=NN=c2c3ccccc3[nH]c3ccccc23)cc1Br 1083911065 HIZKZMWTTDEDPI-UHFFFAOYSA-N 430.305 5.030 30 10 IKEE COc1cc(C=Nc2cccc(C)c2)ccc1OC(=O)c1sc2ccccc2c1Cl 1083973309 FIPHOQGTZZQYFH-UHFFFAOYSA-N 435.932 6.842 30 10 IKEE CCN1C(=O)C[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)SC1=Nc1cccc(F)c1 1084475743 GQKYEOYGWYSYCH-MRXNPFEDSA-N 440.327 5.113 30 10 IKEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1359189580 OQVNMCFRQVPHRW-UHFFFAOYSA-N 436.604 5.144 30 10 IKEE CCOC(=O)c1sc(NN=C(N=Nc2ccc(OC)cc2)c2ccc(C#N)cc2)nc1C 1531857163 HQSKTVIBINHHBM-UHFFFAOYSA-N 448.508 5.066 30 10 IKEE Cc1ccc(-n2c(C)cc3c2CC(C)(C)CC3=NOC(=O)Nc2cccc(Cl)c2)cc1 1772728700 UXCUOBNLDPRGLU-UHFFFAOYSA-N 435.955 6.673 30 10 IKEE COc1ccc(CCn2c(O)c(N=Nc3ccc(C)c(Cl)c3)c(C)c(C#N)c2=O)cc1 1772740985 PGGNOINKSKPEBC-UHFFFAOYSA-N 436.899 5.363 30 10 IKEE Cc1ccc(-c2nc(NN=Cc3cn(Cc4ccccc4)c4ccccc34)sc2C)cc1 1772743387 SLIFYKSAQDBBHZ-UHFFFAOYSA-N 436.584 6.876 30 10 IKEE N#Cc1ccccc1NC(=O)Oc1cccc2c(NC(=O)c3ccccc3Cl)cccc12 1858770958 AIOWGGZMOITRCR-UHFFFAOYSA-N 441.874 6.228 30 10 IKEE CCc1nc2ccc(Br)cc2c(C(=O)Nc2oc3c(c2C#N)CCCC3)c1C 1859662210 BULXOARJWCFGCV-UHFFFAOYSA-N 438.325 5.464 30 10 IKEE Cc1ccc(C)c(Cn2nc(C(=O)Nc3ccccc3C#N)cc2CCc2ccccc2)c1 1862327998 WTNYOOFSAFCWQO-UHFFFAOYSA-N 434.543 5.457 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cccc(Cl)c1)c1ccc(F)cc1F 1862415954 BYRDTEGWBTYZHC-FQEVSTJZSA-N 431.866 5.529 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2[C@@H](C)c2ccccc2)c1 1862431288 DGJPYMHZFAOLLA-QMHKHESXSA-N 447.918 5.688 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccccc1F 1862441734 CCPZMBYWFYTCDK-IVZQSRNASA-N 435.882 5.819 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2[C@@H](C)CC)c1 1862461808 NPGXWNPECXUDJX-YEJXKQKISA-N 447.453 5.270 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1Cl)c1c(F)cc(F)cc1F 1862464363 VHFQHIKHMNBWNX-LJQANCHMSA-N 447.796 5.129 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862474513 PNTHUDSIWZKANO-VWLOTQADSA-N 431.576 6.249 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccccc2C)ccc1F 1862507575 OPCOABYJFMMRPD-XMMPIXPASA-N 433.523 5.911 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc(CC)cc2)cc1 1862530649 VFYNEGQYBPUYSL-MQVPCNEGSA-N 431.576 5.968 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862596076 FSXKRNJXQWSLRR-HSZRJFAPSA-N 435.520 5.092 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1c(Cl)cccc1Cl 1862622115 AIWXVHQQHRJXSI-FQEVSTJZSA-N 446.374 6.278 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccccc2C)cc1F 1862639105 QNDQOHUXCYPHTJ-QHCPKHFHSA-N 449.453 5.060 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(C(=O)OC)cc1 1862653362 RDSBTDOKRLSEIZ-HSZRJFAPSA-N 443.499 5.005 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(N(C)C)cc1 1862664203 GMCVJQKYUHBZAB-XMMPIXPASA-N 434.580 5.500 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC2=CCCCC2)c1 1862674068 RXLQVLJLYDKVFC-HSZRJFAPSA-N 435.495 5.303 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cccs2)cc1 1862677672 ILCLDRQQEGCYDQ-JOCHJYFZSA-N 449.547 5.963 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2cccc(O)c2)cc1 1862713144 IDNIOWWTQRWPQQ-AREMUKBSSA-N 449.506 5.632 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc(O)c1 1862713562 QZMGUQCEQMJYKN-HGMMTPDKSA-N 441.527 5.702 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 1862727924 PBGZXQBGNRKEQP-HSZRJFAPSA-N 442.471 5.250 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(C)ccc2OC)=C(c2ccc(F)cc2)C1=O 1863143851 QMWAPNLAMFPFJE-UHFFFAOYSA-N 438.543 5.695 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)c2ccc(C(=O)c3ccccc3)cc2)c1 1865965034 LEGYSCVJMYQEEK-UHFFFAOYSA-N 444.490 5.581 30 10 IKEE CCCC[C@H](NC(=O)C[C@@H](c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1ccccc1C#N 1866723156 BUAPSPHXRALQEK-NOZRDPDXSA-N 431.580 5.373 30 10 IKEE Cn1cc(CCNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc21 1868041697 WNCRNYQTZRGIGV-UHFFFAOYSA-N 432.339 5.328 30 10 IKEE CCOc1ccc(/C=C(/C(=O)Nc2c(C#N)nnn2-c2cccc(C)c2)c2ccccc2)cc1 1870148770 CCFGDNYIERSBFZ-JJIBRWJFSA-N 449.514 5.025 30 10 IKEE Cc1nc(SCc2cc(=O)c(OCC(C)C)cn2CCC(C)C)c(C#N)c(C)c1C 1870260181 DEDBUEWSZIYCSE-UHFFFAOYSA-N 427.614 5.413 30 10 IKEE CCCCCCCCN1COc2ccc3c(c2C1)O/C(=C\c1c(F)cccc1Cl)C3=O 1871349663 WGOUZVOESQOGMT-UCQKPKSFSA-N 443.946 6.608 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc(C)cc4)ccc3C2=O)cc1OC 1871366554 GFYXOROOJWLSRN-WZHUGYCUSA-N 442.467 5.247 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)Cc4ccc(Cl)c(Cl)c4)cc(C)c3C2=O)o1 1871376663 BSCHWDDKBHZBGA-JMIUGGIZSA-N 443.282 5.968 30 10 IKEE O=C(/C=C/c1ccc(Cl)cc1Cl)Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O 1871378636 WRMFWCPLWAAKJU-NQYDCHNFSA-N 443.307 6.290 30 10 IKEE Cc1cc(C)c(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccco2)C3=O)c(C)c1 1871402268 GSABLUQLYCFBRQ-WQFTWXBESA-N 431.488 5.535 30 10 IKEE Cc1cc(C)c(COc2ccc3c(c2)O/C(=C\c2ccc(-c4ccccc4)cc2)C3=O)cc1C 1871418154 ZJMQQUPCZQUJJA-LQNQUEJISA-N 446.546 7.474 30 10 IKEE COc1ccc(C)cc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 1871428752 QRYZUILGLQNMGK-FMCGGJTJSA-N 447.462 5.085 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(Cl)cc1)C2=O 1871440554 VNVHKOILLBLWBK-XKZIYDEJSA-N 447.918 5.899 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871453860 VMKAPFPFXKHVEG-UUYOSTAYSA-N 433.891 5.591 30 10 IKEE CCCCCCCCN=c1nc(N(CC)CCCC)[nH]c(=Nc2cc(Cl)ccc2C)[nH]1 1871513959 MZGDCYXIYQPIDW-UHFFFAOYSA-N 447.071 5.820 30 10 IKEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1cc(C)ccc1C 1871870916 CZOOODJAVBXWRK-NRFANRHFSA-N 449.016 5.187 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cc(C)cc(C)c1)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1871982736 LCPSAKFPNOEGOG-DEOSSOPVSA-N 442.625 5.150 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cccc(C)c1C)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872525297 XVOJBSSHFZQLFH-YADARESESA-N 442.625 5.232 30 10 IKEE CCOc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 1872769479 SOPWIBMJXFZHQI-MRXNPFEDSA-N 431.344 5.935 30 10 IKEE Cc1ccc(C)c(-c2csc([C@H](C#N)C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)c1 1872772566 QEPQAZMLNZSXCU-QGZVFWFLSA-N 436.449 5.042 30 10 IKEE CCCCCCCOc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3F)n2)cc1 1872777306 KPRTWKBXGYNIPA-OAQYLSRUSA-N 436.552 6.788 30 10 IKEE N#C[C@@H](C(=O)c1cccc(Oc2ccccc2)c1)c1nc(-c2ccc(F)c(F)c2)cs1 1872779583 MQLQQJBPDXLJAN-IBGZPJMESA-N 432.451 6.371 30 10 IKEE CCOc1cccc(NC(=O)c2ccc(CSc3nc(C)c(C)c(C)c3C#N)cc2)c1 1872895085 BMPPHXUHFTXBMV-UHFFFAOYSA-N 431.561 5.822 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@@H]2CCCC[C@@H]2C)=C(c2ccc(F)cc2)C1=O 1873137278 COMYSSROGDGWOG-NZQKXSOJSA-N 442.619 6.215 30 10 IKEE C=CCN1C(=O)C(Nc2cccc(Cl)c2Cl)=C(c2cccc(Cl)c2Cl)C1=O 1873341441 GTSDMEAGFOXQEX-UHFFFAOYSA-N 442.129 5.678 30 10 IKEE CCCCCCCCN=c1nc2c(cnn2-c2ccccc2)c(Nc2cccc(C#N)c2)[nH]1 1873478169 OTJNDHAJFPVZFD-UHFFFAOYSA-N 439.567 5.625 30 10 IKEE CCOc1ccc(-c2nc(C3=C(N)N(c4ccc(F)c(Cl)c4)CC3=O)sc2C)cc1 1873529597 GKRLGGBGWFULDC-UHFFFAOYSA-N 443.931 5.026 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1cccc(C)c1C)n2CCC 1873619477 CKDGODHCEMGOBH-UHFFFAOYSA-N 435.616 6.483 30 10 IKEE C=CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1sccc1C 1874218021 QGPOAMIBJMQKHC-SSDVNMTOSA-N 433.002 5.658 30 10 IKEE CSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1c(Cl)cccc1Cl 1874229317 DGGUVXOAJADTTC-LSFURLLWSA-N 441.771 5.730 30 10 IKEE CCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1c(Cl)cccc1Cl 1874282958 IILOODVMTQNDTK-FSJBWODESA-N 439.799 6.018 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1cc(Cl)ccc1O 1874282979 JKSZPWDGBOZJRN-WYMPLXKRSA-N 447.391 5.626 30 10 IKEE CCCCC1CCC(c2nnc(SCCO)n2/N=C/c2cccc(OCCC)c2)CC1 1874286991 IJZZBUASPZDJDV-XIEYBQDHSA-N 444.645 5.498 30 10 IKEE C=C(C)CSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1cccc(Cl)c1 1874288225 TZRFVNOKNNNXLH-MFKUBSTISA-N 431.049 6.946 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2-c2cccs2)cc1 1874422329 GRVNOOWCCNUSBD-FSJBWODESA-N 428.945 5.974 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874437644 LZSAHDSADMNHIX-YDZHTSKRSA-N 427.505 5.089 30 10 IKEE Cc1cccc(CSc2nnc(C3CCCC3)n2/N=C/c2ccccc2OC(C)C)c1 1874454855 YJGRLMZWVDSTLL-WGOQTCKBSA-N 434.609 6.206 30 10 IKEE Cc1ccsc1/C=N/n1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccco1 1874468321 CKXPOFLXZFAAFU-LSHDLFTRSA-N 449.388 6.389 30 10 IKEE Cc1ccc(/C=N/n2c(CC(C)C)nnc2SCC(=O)Nc2cc(C)ccc2C)cc1 1874486572 ZEIFGDIJXMUYCT-AFUMVMLFSA-N 435.597 5.015 30 10 IKEE Cc1ccccc1NC(=O)CSc1nnc(CC(C)C)n1/N=C/c1cccc(Cl)c1 1874487809 HWLSZJMECMFNER-ZMOGYAJESA-N 441.988 5.051 30 10 IKEE Cc1ccccc1NC(=O)CSc1nnc(CC(C)C)n1/N=C/c1ccccc1Cl 1874489409 QBJUKDCPLZVLOF-ZMOGYAJESA-N 441.988 5.051 30 10 IKEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3C)nnc2C2CCC2)cc1 1874493834 GPHOVBQANHSETC-MFKUBSTISA-N 433.581 5.029 30 10 IKEE CC(C)(C)c1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CCC2)cc1 1874497105 UWRYYIDTSANUGY-CVKSISIWSA-N 439.028 6.671 30 10 IKEE COCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccccc1OC(C)C 1874502930 HRAUMCZFMGCHBU-FSJBWODESA-N 430.961 5.040 30 10 IKEE COCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc(F)cc1F 1874505901 DUVHQIPGIYTPBN-LIMNOBDPSA-N 443.306 5.184 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CC)nnc2SCc2ccccc2C)cc1OC 1874522341 OPJBDCVQNUNATN-PCLIKHOPSA-N 438.597 5.511 30 10 IKEE C[C@H](NC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccccc1)c1ccccc1 1874578339 IPXWSEYQSIHPIO-APOCOGJHSA-N 435.523 5.992 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl)c1ccc(Cl)cc1 1874578464 OYOJYELHHZXUOB-UXBLZVDNSA-N 435.709 7.261 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)c1OCc1cc(C)ccc1C 1874590307 DTNKDQGVZOZWNZ-JQIJEIRASA-N 442.599 7.393 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OCC(=O)Nc1c(C)cccc1C 1874595628 WEKGECWRKNTNFW-NTUHNPAUSA-N 449.934 5.879 30 10 IKEE O=C(/C=C/c1cccc(OCc2c(Cl)cccc2Cl)c1)c1ccc2c(c1)OCCO2 1874596979 NRPKFWKHXFBJIP-VQHVLOKHSA-N 441.310 6.240 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1 1874609467 SJGKOFBJDAWBOJ-XCVCLJGOSA-N 447.745 7.131 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Cl)c1OCc1cccc(F)c1 1874620215 OJBVZGVICUPVJD-JXMROGBWSA-N 442.889 6.800 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OCc2ccccc2)c(Cl)c1 1874633887 ZQLFMEACYHZIOX-CSKARUKUSA-N 427.327 6.786 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OC(=O)Cc1ccc(F)c(C)c1 1874703261 HMPGWZSKPKEFIH-DHZHZOJOSA-N 432.491 5.804 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 1874703600 XJAUIQUVSVUFKK-YRNVUSSQSA-N 445.471 5.644 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OC(=O)c1ccc(Cl)c(Cl)c1 1874710040 PZCMEXCJABUPLK-WTDSWWLTSA-N 445.273 6.256 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c(Cl)c3)c2)cc1 1874716859 MTBQPFOJULJLJN-XYOKQWHBSA-N 436.891 5.401 30 10 IKEE CN(C)c1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)cc2)cc1 1875096699 APBDWMOOWHESDV-GIJQJNRQSA-N 425.528 5.747 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3c(F)cccc3Cl)c(OC)c2)c1 1875104360 STLZNPPIMGIQRT-PKNBQFBNSA-N 440.854 5.612 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1Br)c1cccs1 1875113479 JLWDPZNNBAULQG-VQHVLOKHSA-N 447.737 6.279 30 10 IKEE CC(C)CC(=O)Oc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1[N+](=O)[O-] 1875115454 DUTQCSODZYTRPH-SOFGYWHQSA-N 432.270 5.205 30 10 IKEE CCOc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2)cc1OC 1875127744 VRLVBUJBCZJPGA-LFIBNONCSA-N 430.500 5.528 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OC(=O)[C@@H]1CCCO1 1875165452 YOCZBUOWCDSESB-LBQODKDLSA-N 438.520 5.116 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccncc2)cc1 1875168171 UVJVJRPXNUBQBK-QPJJXVBHSA-N 428.271 5.512 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3)c(Cl)c2)c1C 1875168648 NVOUOUFMLAADSB-ZRDIBKRKSA-N 432.947 6.618 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc(Cl)c1OC(=O)C1CC1 1875182220 SDHBTOMWCCDUIA-QPJJXVBHSA-N 435.303 5.531 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1ccc(F)cc1F 1875184646 JRTBPAJHAARVDO-WEVVVXLNSA-N 436.454 6.014 30 10 IKEE CCN(CC)c1cccc(OCC#CCNC(=O)c2cccc(-c3cccc(F)c3)c2)c1 1891694809 PBGLPRNNWRNDGA-UHFFFAOYSA-N 430.523 5.151 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)NCCC 1911278759 LHYQJHSTABKWDS-XWGVYQGASA-N 430.633 5.601 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)CCC[C@H](C)C1 1922075883 AIVKYBLWHBITCC-AMZDPNTKSA-N 430.633 5.601 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](C)c1ccc(NC(=O)OC(C)(C)C)cc1 1922081485 XUANOXLLUDZVSU-SQJMNOBHSA-N 438.612 6.278 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C1(CNC(=O)OC(C)(C)C)CCCCC1 1922085635 JYOJNTYKVNSBRY-QHCPKHFHSA-N 430.633 5.603 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCC[C@@H]1NC(=O)OC(C)(C)C 1943896948 WICMMQWFNBCEAG-YADARESESA-N 429.561 5.466 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C1CC2(CCN(C(=O)OC(C)(C)C)C2)C1 1998283166 VSBDCQJTAHEQDR-SBRHDKPSSA-N 428.617 5.165 30 10 IKEE CC(C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCN(C(=O)OC(C)(C)C)C12CCCCC2 2024622965 ALNGCRIIEIYSCP-DEOSSOPVSA-N 435.609 5.628 30 10 IKEE C=CCCCCCC[C@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)NCC 2026011848 GZJKNPKWDMSIEG-XMMPIXPASA-N 431.665 5.518 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NC)c1ccc(Cl)c(Br)c1F 2035952945 GGKTVFVYUBKCQW-CZUORRHYSA-N 435.765 5.362 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1cnn(C(C)C)c1NC(=O)OC(C)(C)C 2068668776 WQRLCUYNRCIPKT-QFIPXVFZSA-N 442.604 5.625 30 10 IKEE CCCCCCCCNCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071258215 NOOXDYVWMVAVAQ-UHFFFAOYSA-N 431.620 7.295 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Cl)cc1Br 2077804777 DMBLTIGCSGUMHG-IRXDYDNUSA-N 431.802 5.613 30 10 IKEE CC1([C@H](c2ccc(C(F)(F)F)cc2F)n2nc(C(F)(F)F)c(CO)c2Cl)CC1 2079978914 IXGQTUISPUFIJF-ZDUSSCGKSA-N 430.751 5.595 30 10 IKEE CC(C)c1ccc([C@H](n2nc(C(F)(F)F)c(C=NO)c2Br)C2(C)CC2)cc1 2079986903 VGBQPXLOQLXJFT-INIZCTEOSA-N 444.295 5.985 30 10 IKEE COc1ccc([C@H](C2CCC2)n2nc(C3(C)CC3)c(C=NO)c2Br)c(F)c1 2080064866 YQQOVGXHPLMHLH-KRWDZBQOSA-N 436.325 5.042 30 10 IKEE Fc1cc(-c2c(C(F)(F)F)nn(C3CCC3)c2Br)ccc1C(F)(F)F 2080793307 IXYPCUKZNUCCBB-UHFFFAOYSA-N 431.149 6.214 30 10 IKEE N#Cc1c(C2CCCCC2)nn2c(Cl)cc(-c3cc(C(F)(F)F)cc(Cl)n3)nc12 2081265432 RZUNGQSTVOZQEX-UHFFFAOYSA-N 440.256 6.036 30 10 IKEE CC#CCCC[C@H](NCCC)c1ccc(Br)cc1I 2142288648 LPVHXEZDTFVBAJ-INIZCTEOSA-N 434.159 5.288 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCOC12CCCCC2 2143843962 GEUOXBKQJQOMKJ-HXUWFJFHSA-N 435.362 5.576 30 10 IKEE CC1(C)OB(c2cc(NC(=O)c3scc(Cl)c3Cl)ccc2Cl)OC1(C)C 2152512753 HZESPBCUGLDDIV-UHFFFAOYSA-N 432.565 5.260 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@](C#N)(Nc2ccc(Br)cc2)CC12CCCCC2 2155295489 LXAWXDYWHXBDRS-HXUWFJFHSA-N 434.378 5.467 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1ccc2c(c1)COC2 2156033144 INBLDFIOGFOATA-LJQANCHMSA-N 429.314 5.486 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)COC2(CCCCC2)C1 2179043103 KMBRJXQUNHAMAF-FQEVSTJZSA-N 435.362 5.576 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)Nc1cccc(F)c1C#N 2181049815 ZKBSOVUPJNSAKX-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE Cc1cc(C#N)cc(NC(=O)C(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 2243905485 PDBLCJNRTQHJRA-UHFFFAOYSA-N 439.515 5.123 30 10 IKEE C=CC[C@@]1(COc2cc(NC(=O)OC(C)(C)C)ccc2N)CCN(C(=O)OC(C)(C)C)C1 2259527152 IQPJPZSOLBRKGA-XMMPIXPASA-N 447.576 5.198 30 10 IKEE C=C1CC(C[C@H](OCCN)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1 2277268280 BXAPZGWHJUMVDS-NDEPHWFRSA-N 443.587 6.217 30 10 IKEE Cc1ccc(N=C2NC(=O)C(=Cc3cn(Cc4ccc(F)cc4)c4ccccc34)S2)cc1 2294013963 ONUXWNYRPAJSQS-UHFFFAOYSA-N 441.531 6.029 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H](C(C)C)N(C)C(=O)OC(C)(C)C 2296289204 PCXNJZKNCUPUHR-VQTJNVASSA-N 437.422 5.060 30 10 IKEE O=C(C(=Cc1ccc(-c2ccccc2Cl)o1)c1nc2ccccc2o1)c1ccccc1 2296696664 ITKBAFZKQLIQIV-UHFFFAOYSA-N 425.871 7.165 30 10 IKEE CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H]([C@@H](C)[N+](=O)[O-])[C@@H](C(C)=NO)[C@@]4(C)CC[C@@H]32)C1 2297623945 VOETZVYTDQTIBX-FTYLNGFLSA-N 446.588 5.239 30 10 IKEE COc1ccc(N2C(SC)=NC(=Nc3ccc(C)cc3)C23CCC(C(C)(C)C)CC3)cc1 2297731212 IAYVGQRLOVVUCZ-UHFFFAOYSA-N 449.664 7.248 30 10 IKEE O=C1NC(=Nc2ccc(F)cc2)SC1=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 2313558206 VRFVZIQIQKIZRG-UHFFFAOYSA-N 443.843 5.539 30 10 IKEE Cc1ccccc1COc1ccccc1C=Nn1c(S)nnc1[C@H](C)c1ccccc1 2321962109 MUYIPPKEOXLJCA-LJQANCHMSA-N 428.561 5.488 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1c(Cl)cccc1Cl)O3)CN(CCCCCO)CO2 2322095614 CTTQAGIIAFWMPL-UHFFFAOYSA-N 448.346 5.233 30 10 IKEE CCCOc1ccc(C=Nn2c(S)nnc2CCc2ccc(Cl)cc2)cc1OCC 2322115097 LZINEHJWASCEAG-UHFFFAOYSA-N 444.988 5.075 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1c(Cl)cccc1Cl)C3=O)CN(Cc1ccco1)CO2 2322307876 HJZHCMOHJUEHIA-UHFFFAOYSA-N 442.298 5.863 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Cl)cc(OC)c1OCc1ccccc1F 2322481662 GHMDAYAGUAANNW-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE Cc1ccc(COc2ccc(Br)cc2C=CC(=O)c2ccc(F)cc2F)cc1 2322492736 ZNGHUFTXLFVLLC-UHFFFAOYSA-N 443.287 6.511 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC)c1OCc1ccc(F)cc1 2322774928 JEGLJZRQCBOPCV-UHFFFAOYSA-N 448.534 6.616 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)c4cccc(C)c4)cc(C)c3C2=O)cc1OC 2322880780 LFNOSBPUKXNERB-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc2C1=O 2322889990 CJRJPSCCMMRTEF-UHFFFAOYSA-N 434.875 5.503 30 10 IKEE O=C(COc1cccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)c1)Nc1nccs1 2323150661 BIQYIDVZLVYNDU-UHFFFAOYSA-N 433.316 5.364 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc2c(c1C)OC(=Cc1cccnc1)C2=O 2323176593 PSDAUDRIBQLEFI-UHFFFAOYSA-N 429.472 5.079 30 10 IKEE Cc1c(OC(=O)c2ccc(C(F)(F)F)cc2)ccc2c1OC(=Cc1ccccc1F)C2=O 2323352417 WAKRGGPWYMRDMW-UHFFFAOYSA-N 442.364 5.988 30 10 IKEE Cc1c(OC(=O)c2ccc(C(F)(F)F)cc2)ccc2c1OC(=Cc1ccccn1)C2=O 2323352473 BYKXYQFTGHLZME-UHFFFAOYSA-N 425.362 5.244 30 10 IKEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1cccc(C)c1 2323362988 BHHHTKQCSCHFFS-UHFFFAOYSA-N 437.879 6.040 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)C=Cc1ccc2c(c1)OCCO2 2323559666 AFIYZMUUXPDMSG-QFIPXVFZSA-N 444.616 5.013 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2Cl)cc(OC)c1OCc1ccccc1F 2323626821 XLMGDLHVRFTQNV-UHFFFAOYSA-N 436.910 6.691 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)c1 2324014353 JRGRKGYZLOSZSH-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE Cc1cc(O)c(CN(C2CCCCC2)C2CCCCC2)c2c1C(=O)C(=Cc1ccncc1)O2 2324044793 REDDPKYRKHCXEE-UHFFFAOYSA-N 446.591 6.179 30 10 IKEE O=C1C(=Cc2ccc(Br)cc2)Oc2c1ccc(O)c2CN1CCCCCC1 2324069877 NNWMNGBYLFCGEQ-UHFFFAOYSA-N 428.326 5.147 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)c1C 2324349233 RDJGACBDTFDVHE-UHFFFAOYSA-N 433.479 6.443 30 10 IKEE COc1ccc(C=C2Oc3cc(OCCOc4ccc(C)cc4)ccc3C2=O)cc1OC 2324537412 OTBWOBOBXGCMTE-UHFFFAOYSA-N 432.472 5.086 30 10 IKEE C=C(C)COc1c(Cl)cc(C=CC(=O)c2ccc(OC)c3ccccc23)cc1OCC 2324684973 GIBJGFXVSGSJDU-UHFFFAOYSA-N 436.935 6.752 30 10 IKEE CC(C)COC(=O)COc1ccc2c(c1)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2325063202 QWWGLPZZDMIGIC-UHFFFAOYSA-N 428.484 5.548 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(O[C@@H](C)C(=O)Nc3ccc(C#N)cc3)c2C)C1=O 2325306882 HAVNBWUCDVGKBI-SFHVURJKSA-N 438.483 5.197 30 10 IKEE Cc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(Cl)cc3Cl)c2)cc1C 2325708980 HFVUGNNKZOBRAE-UHFFFAOYSA-N 439.338 6.654 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cccc(OC(=O)c2ccc(OC(C)=O)cc2)c1 2325757622 TUVASBWYGRYMJC-UHFFFAOYSA-N 444.483 5.353 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1 2325765519 CISBEXBBLFZAHN-UHFFFAOYSA-N 443.499 6.316 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)C=Cc1ccc(C(=O)OC)cc1 2325812478 VAGMFTFICNICEB-SANMLTNESA-N 444.616 5.028 30 10 IKEE CCCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1ccc(N(C)C)cc1 2326336764 QWFDTPPUHNASBM-UHFFFAOYSA-N 449.668 6.159 30 10 IKEE C=C(C)CSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1cccc(Cl)c1 2327272417 XVUCBVPKLXRXBM-UHFFFAOYSA-N 441.000 5.986 30 10 IKEE C=CCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1cccc(OCC)c1 2327292782 IDGNOASXUOPRPS-UHFFFAOYSA-N 436.581 5.341 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccc(N(C)C)cc1 2327571124 GLCHPNPVSWXSPS-UHFFFAOYSA-N 441.988 5.127 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3cccc(C)c3)n2N=Cc2cccnc2)cc1 2328564204 MCKAHQBVMQYOPU-UHFFFAOYSA-N 443.576 5.146 30 10 IKEE C=C(C)CSc1nnc(-c2cccs2)n1N=Cc1ccc(OCc2ccccc2)cc1 2330580228 OKKRKPRPPQWMNI-UHFFFAOYSA-N 446.601 6.136 30 10 IKEE O=[N+]([O-])c1cccc(C=Nn2c(SCCc3ccccc3)nnc2-c2cccs2)c1 2330586360 GSPUABFKWBOCDC-UHFFFAOYSA-N 435.534 5.132 30 10 IKEE C=CCSc1nnc(-c2cccs2)n1N=Cc1ccc(OCc2ccccc2)cc1 2330589971 LHUFLCYMKWOFIM-UHFFFAOYSA-N 432.574 5.746 30 10 IKEE O=C(CCOc1ccccc1)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1 2330805273 FACSKYGFACVJLV-UHFFFAOYSA-N 441.310 6.264 30 10 IKEE Oc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CCCC2)c(O)c1 2331087015 WZZIWUIZFZZAQB-UHFFFAOYSA-N 428.945 5.175 30 10 IKEE Oc1cccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C(F)(F)F)c1 2331149910 RRNSWDRCLDRERR-UHFFFAOYSA-N 428.439 5.330 30 10 IKEE O=C(COc1ccccc1)Oc1ccc(C=CC(=O)c2ccccc2)cc1Br 2331167982 BMUAGFVIOYGPPJ-UHFFFAOYSA-N 437.289 5.330 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3cccnc3)c(OC)c2)cc1 2331299337 VYYBFSBZMKSPTH-UHFFFAOYSA-N 447.487 5.003 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)COc2ccccc2)c(Cl)c1 2331358798 PRQBILYNTLDPDU-UHFFFAOYSA-N 436.891 5.538 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(SCc2cccc(C)c2)nnc1C1CCC1 2331498120 KPIGJKOGXPWHOI-UHFFFAOYSA-N 442.588 6.190 30 10 IKEE CCCC(=O)Oc1ccc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc1[N+](=O)[O-] 2331577740 JBSYDQLRPCPUHF-UHFFFAOYSA-N 425.481 5.637 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1ccccc1C 2331653612 JALIIXRZILJMRW-UHFFFAOYSA-N 442.555 6.743 30 10 IKEE CC(C)c1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1ccc(Cl)cc1Cl 2331673234 UMLVFFFWEVUNQO-UHFFFAOYSA-N 448.379 5.321 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccco3)c(OC)c2)c(OCC)c1 2331739982 UGVUDMIKJGYVSW-UHFFFAOYSA-N 436.460 5.201 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(OC)c(Cl)c2)cc1OC 2331814932 BIYQMUMRGVYLNT-UHFFFAOYSA-N 437.319 6.002 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2OC)ccc1OC(=O)c1ccccc1C 2331885174 HUTYJRYBTMONCB-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE CC(C)(CCNC(=O)OC(C)(C)C)COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339596107 NYUNEZANQJZNGK-UHFFFAOYSA-N 446.397 5.046 30 10 IKEE CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339597198 PEOIDQOZOYWGHY-PKOBYXMFSA-N 446.397 5.044 30 10 IKEE C=CCOc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccco2)c1 2380426 KEIRVPHUOUODET-JOCHJYFZSA-N 447.874 5.350 30 10 IKEE O=C1CCCC2=C1[C@@H](c1cccc(Cl)c1)n1nc(SCc3ccc(F)cc3)nc1N2 9597395 WVALXGHEJZMJIN-HXUWFJFHSA-N 440.931 5.385 30 10 IKEE CCCCOc1ccc(C(=O)/C=C/c2ccc(Br)cc2)cc1OCCCC 20594817 AUVKENHAIMCNGZ-UKTHLTGXSA-N 431.370 6.703 30 10 IKEE CC(C)Oc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(Cl)c(Cl)c2)C3)cc1 21219598 FBHBALWZTZWJOQ-AEFFLSMTSA-N 444.358 5.785 30 10 IKEE CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2O)cc1 21251405 LONUQOYJQIEJOO-HMILPKGGSA-N 438.571 6.669 30 10 IKEE COc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccccc1OC)C2 21253517 ZNZRVYAPQWFLFB-CRYYWNKWSA-N 426.516 5.683 30 10 IKEE COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccc(C)cc2)cc1OC 28052519 HUMNHWCCBPONDM-MHECFPHRSA-N 430.504 5.267 30 10 IKEE Cc1c(C(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)c(O)n([C@@H](C)c2ccccc2)c(=O)c1C#N 38622725 QKIDBTHTVNGGPZ-CRFBAAHOSA-N 445.346 5.117 30 10 IKEE CCCCOc1ccc(NC(=O)CSc2nc(-c3ccc(OC)cc3)ccc2C#N)cc1 39427291 DFAMAGMMJZTAQN-UHFFFAOYSA-N 447.560 5.539 30 10 IKEE C=CCOc1cccc(NC(=S)NC(=O)C(C)(C)CCCOc2cc(C)ccc2C)c1 66201666 YITICWSDGLJQQQ-UHFFFAOYSA-N 440.609 5.567 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2F)cc1 100153998 QDWSLKUASOGNBL-UHFFFAOYSA-N 433.505 5.210 30 10 IKEE CCCCCCCOc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 100155577 RPAGOYAEYBSQMM-UHFFFAOYSA-N 426.626 6.460 30 10 IKEE Clc1cccc(CO/N=C2\CCCc3c2cc(-c2ccccc2)n3-c2ccccc2)c1 100403609 VPHKHSLXZZPMAW-XLVZBRSZSA-N 426.947 7.055 30 10 IKEE CCCCCCCCCCn1c([C@@H](C)NC(=O)c2ccc(Cl)cc2)nc2ccccc21 102221640 ONGJFWTWTVLVSF-HXUWFJFHSA-N 440.031 7.321 30 10 IKEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccccc2)cc1 102542083 PSLUQRXRSBXHTG-AGGMBTAESA-N 444.487 5.370 30 10 IKEE C=CCn1c(-c2ccc(Cl)cc2Cl)cs/c1=N/c1ccc(C(=O)OCC)cc1 102962778 GUHHKQDFXNHGSZ-DARPEHSRSA-N 433.360 6.119 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc(Cl)c1O 169942156 ZMNJLUPOQLVTNI-YVNNLAQVSA-N 433.917 5.031 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1ccc(O)cc1)c1ccc(Cl)cc1 169963750 CUKDTFTZCLKEBX-FQEVSTJZSA-N 441.817 5.107 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2cccc(C)c2)c1 169972781 ZTGHNAZZBGAYIM-VWLOTQADSA-N 441.527 5.399 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(F)cc1 170065049 HTSSGHMLCHYBGA-DEOSSOPVSA-N 447.506 5.372 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)C)cc2)cc1C 170067066 KOWNHKNNHOXBRF-DEOSSOPVSA-N 429.516 5.798 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccccc1F)c1ccc2c(c1)CCO2 170070597 IOYALDOBMMXFBB-QFIPXVFZSA-N 449.865 5.197 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cc(OC)ccc3Cl)=C(O)C(=O)N2c2ccccc2)cc1 170113578 GKRPOPLFUQWGNK-JOCHJYFZSA-N 449.890 5.140 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2OC)ccc1Cl 170122320 PZZCRFNDFBKZLA-JOCHJYFZSA-N 449.890 5.140 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 170150180 AEXUKNHYOJDMKX-HSZRJFAPSA-N 435.564 5.761 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccncc2)c1C 170203129 WXDNPQGSMZRLEE-VWLOTQADSA-N 434.495 5.635 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccncc2)cc1C(C)C 170203308 LVMHJKOAHAIVPR-DEOSSOPVSA-N 442.515 5.305 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccncc2)c1 170209245 MZQXAOVIXVCYOO-OAQYLSRUSA-N 440.927 5.045 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccncc2)ccc1OC(C)C 170209475 BQUKEGZCNAEFAK-QHCPKHFHSA-N 434.536 5.088 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(Cl)ccc3OC)[C@H]2c2ccccc2)cc1 170224196 PJQGTVRZJYGLAH-HSZRJFAPSA-N 447.918 5.694 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@H]1c1c[nH]c2ccccc12 170255156 MELKGIYVGYSOKW-OAQYLSRUSA-N 438.911 5.208 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@@H]1c1ccc(CC)cc1 170267847 VZNZNNRQTCQGIN-QHCPKHFHSA-N 435.564 5.543 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2c2ccc(Cl)cc2)o1 170303101 AEMBQJQVRXIPEX-HSZRJFAPSA-N 447.918 5.903 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccc(C)o2)cc1 170304873 IGQAVJPKGJLGEA-DEOSSOPVSA-N 445.515 5.777 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(C)o2)cc1C(C)C 170308196 GZPYXDBXCNNXFI-QHCPKHFHSA-N 437.536 5.631 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cccc(OCCC)c1 170323329 SRMHIZFOHLGJNK-RUZDIDTESA-N 447.575 5.733 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(F)c(F)c2)cc1 170452465 DKBWVVBMMHNUDT-QHCPKHFHSA-N 442.506 5.326 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1cccs1 170477849 DFQMFSVEQKNQTL-HNNXBMFYSA-N 432.954 5.526 30 10 IKEE Cc1cccc(NC(=O)N=C2C(=S)N(c3ccccc3)C(=O)N2c2cccc(C)c2)c1 254459153 YPPPMHIBSQUBAE-UHFFFAOYSA-N 428.517 5.708 30 10 IKEE C=CCN/C(S)=N/N=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 254765103 TWADNKXCZHJPEX-RUZDIDTESA-N 439.588 5.438 30 10 IKEE CCOc1ccc(C(C)=NNc2ncnc3sc4c(c23)C[C@H](C(C)(C)CC)CC4)cc1 254844270 DAYFHCCTDUYHQJ-GOSISDBHSA-N 436.625 6.467 30 10 IKEE CCOc1cc([C@H](N)CCCB2OC(C)(C)C(C)(C)O2)ccc1OCc1ccccc1 383834184 SGYSRHHKCSREGQ-OAQYLSRUSA-N 425.378 5.537 30 10 IKEE Fc1c(F)c(F)c(-c2ccc(I)cc2C(F)(F)F)c(F)c1F 514255414 HPKYKXAMDSWCCD-UHFFFAOYSA-N 438.055 5.673 30 10 IKEE CC(C)COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccnc2)cc1 526487624 DCLQWCKNPOUGNJ-DEOSSOPVSA-N 425.488 5.045 30 10 IKEE CCOc1cccc([C@@H]2C(c3cccc4ccccc34)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 526489414 ADAOBMXYXXMHRG-HHHXNRCGSA-N 446.506 6.167 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccccc2OC)c1 526517157 SLHFCJXMEBPRHM-DEOSSOPVSA-N 426.472 5.023 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2ccc(F)cc2)[C@H]1c1ccc(Br)cc1 526605971 ALJGGXHFGDWVHI-OAQYLSRUSA-N 449.279 5.517 30 10 IKEE Cc1ccccc1/C=N\n1c(CCc2ccccc2)nnc1SCc1ccc(F)cc1 526803307 WUVMRYIHKBCJHN-PKAZHMFMSA-N 430.552 5.685 30 10 IKEE CCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1ccccc1Cl 526806532 ZEJYYDIXDDNABH-MYYYXRDXSA-N 427.017 6.356 30 10 IKEE Cc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccccc1C(F)(F)F 526821496 VSQFTXJDUKGBSW-ZMFRSBBQSA-N 426.467 5.933 30 10 IKEE CCCCCOc1ccc(/C=N\n2cnnc2SCc2ccc(Cl)cc2Cl)cc1 526823391 JRFDCWRFLOJACT-MXAYSNPKSA-N 449.407 6.328 30 10 IKEE CC(C)(C)OC(=O)N(C[C@H]1CCCO1)[C@@H](C#N)c1cc(Br)ccc1Cl 698469157 GFYBVTSHCSTNFI-CJNGLKHVSA-N 429.742 5.083 30 10 IKEE CCOc1cccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)c1 698480672 AMERUSNHDMFCOL-IBGZPJMESA-N 431.330 5.854 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)C1 698954822 CTOGOOXGJMDTFF-QFIPXVFZSA-N 435.952 5.375 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C1 724090287 DMWLLVSEMCDXTC-UZUQRXQVSA-N 449.617 5.462 30 10 IKEE CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(C(F)(F)F)nc2O)cs1 731564446 FOTSBHBMAJOHNJ-UITAMQMPSA-N 447.438 5.152 30 10 IKEE O=C(CCSc1n[nH]c(NN=C/C=C\c2ccccc2)n1)Nc1cccc2ccccc12 1084425759 WNOXLXZVUAGYOM-BYGVCOLJSA-N 442.548 5.190 30 10 IKEE C=C(C(=O)c1ccccc1)[C@H](c1ccccc1)[C@@H](CN1CCCCC1)C(=O)c1ccccc1 1088715412 XLNXTWALOUGVKR-VSGBNLITSA-N 437.583 6.194 30 10 IKEE Cc1ccc(NC(=S)N/N=C\c2cn(-c3ccccc3Cl)nc2-c2ccccc2)cc1 1857811452 VDNAPCHPMASCTQ-YSMPRRRNSA-N 445.979 5.822 30 10 IKEE N#Cc1cnn(-c2ccccc2)c1NC(=O)c1ccc2nc(-c3ccccc3Cl)oc2c1 1859743938 LOCUXCDZVAGXDJ-UHFFFAOYSA-N 439.862 5.458 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccccc1 1861133401 NODVSRJHOWFOKW-RUZDIDTESA-N 443.031 5.997 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccccc1C 1862382063 KIHIYEUBGPECBD-OAQYLSRUSA-N 446.374 6.460 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862402434 YKONJSFGNQOFQY-RUZDIDTESA-N 447.575 5.867 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccc(F)c1 1862489279 UCJYZFZWKOWNTK-URXFXBBRSA-N 437.555 6.380 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2c(F)cccc2Cl)ccc1F 1862504932 GWOUEWPRENCVBK-NRFANRHFSA-N 445.893 5.838 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2cccc(Br)c2)ccc1F 1862510226 ZAPANTVWWKPSJT-IBGZPJMESA-N 446.316 5.131 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCCOC(C)C)c1 1862613365 GWMRBFINXJXRNN-DEOSSOPVSA-N 449.591 5.686 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(OCC)cc1 1862618309 CCXRJIQTPRSCJJ-XMMPIXPASA-N 449.591 6.151 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccccc2)cc1 1862648796 JYWRKICUZZPZDC-AREMUKBSSA-N 433.507 5.927 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862653891 HWIYEJPARQCDIP-QFIPXVFZSA-N 430.460 5.126 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2F)cc1 1862673601 NEWCQGABJQBQQS-HSZRJFAPSA-N 433.454 5.094 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cc(Cl)cc(Cl)c1)c1ccc(F)cc1 1862679920 QFJKHFRWNOBPRC-IBGZPJMESA-N 446.261 5.504 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2C2CCCC2)cc1 1862695404 DTLLQEWPFVFOLQ-XMMPIXPASA-N 448.563 5.062 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCCCN(C)C)c1 1862712848 BFOXFBKUPCBIRT-RUZDIDTESA-N 442.559 5.068 30 10 IKEE Cc1ccc(C2=C(Nc3ccc4ccccc4c3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862896364 KNHQALRFYDGNFK-UHFFFAOYSA-N 429.479 5.417 30 10 IKEE N#Cc1ccc(N2C(=O)C(Nc3ccc4ccccc4c3)=C(c3ccccc3Cl)C2=O)cc1 1863077133 CJYIMRHDEHXIOI-UHFFFAOYSA-N 449.897 5.761 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(F)c2)=C(c2ccccc2[N+](=O)[O-])C1=O 1863231476 YKGCVMZMZBMTHM-UHFFFAOYSA-N 439.487 5.286 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2cccnc2)=C(c2ccc(C)cc2)C1=O 1863619567 CGBGHWDVWYGVFX-UHFFFAOYSA-N 433.596 5.400 30 10 IKEE CCCCCCCCCCNC1=C(c2c[nH]c3ccccc23)C(=O)N(C2CCCC2)C1=O 1863814029 HWJYWNOMBDWTCZ-UHFFFAOYSA-N 435.612 5.921 30 10 IKEE N#Cc1ccc(Nc2cc(N3CC[C@H](c4ccco4)C3)nc(-c3ccc(F)cc3)n2)cc1 1868466092 OYDLYLCDIBMEPX-IBGZPJMESA-N 425.467 5.485 30 10 IKEE COc1cccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2cccc(C)c2)C4)c1 1871347960 HGXGZLCCNRRHNT-CFRMEGHHSA-N 427.500 5.280 30 10 IKEE Cc1cc(OC(=O)Cc2cc(Cl)ccc2Cl)cc2c1C(=O)/C(=C/c1ccccc1)O2 1871376790 YFGOUAPIPMDTCR-FBHDLOMBSA-N 439.294 6.066 30 10 IKEE O=C(/C=C/c1ccc(Cl)cc1Cl)Oc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O 1871378337 HJYMOZWEIQDGDK-VPNFUMBJSA-N 437.278 6.228 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(F)c2)C3=O)c1 1871389019 GICKKTLDOZDPBN-XKZIYDEJSA-N 446.430 5.285 30 10 IKEE Cc1cc(O)c(CN2CCCc3ccccc32)c2c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O2 1871395304 NHMXTOHXHFGBHY-UCQKPKSFSA-N 442.471 5.178 30 10 IKEE COc1ccccc1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 1871411264 HNCIUMOYBGYHFA-YOBACFSGSA-N 447.462 5.165 30 10 IKEE O=C1/C(=C/c2ccccc2OC(F)F)Oc2cc(OCCOc3ccccc3F)ccc21 1871417261 PYVIAYWNZSSFSZ-XKZIYDEJSA-N 442.389 5.501 30 10 IKEE CCCCCCCCCOc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 1871429364 DEHMRXXBTVWHEB-HAHDFKILSA-N 433.375 7.739 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(Cl)cc2)[nH]c(N(CCO)CCCC)n1 1871523720 BSAMNONIDIBRBI-UHFFFAOYSA-N 449.043 5.062 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1)S(=O)(=O)CCCC 1871801789 RZUPEZBBJKRZTR-JOCHJYFZSA-N 449.016 5.336 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)S(=O)(=O)C1CC1 1872333119 PCTYSDHYFKTWHT-QHCPKHFHSA-N 434.646 5.411 30 10 IKEE N#C[C@H](C(=O)c1cccc(Oc2ccccc2)c1)c1nc(-c2ccc(Cl)cc2)cs1 1872767381 YLJDQVDQWNZTCG-OAQYLSRUSA-N 430.916 6.746 30 10 IKEE CCCCc1ccc(N2C[C@@H](C(=O)[C@@H](C#N)c3nc(-c4cccs4)cs3)CC2=O)cc1 1872773996 DOPQNGPCWMFELY-PKOBYXMFSA-N 449.601 5.444 30 10 IKEE C=CCN1C(=O)C(Nc2cc(Cl)ccc2OC)=C(c2c(Cl)cccc2Cl)C1=O 1873289382 KIDGLUJJKJZBQD-UHFFFAOYSA-N 437.710 5.033 30 10 IKEE N#Cc1nc([C@H]2C[C@H]2c2ccccc2)oc1N/N=C/c1ccc(OCc2ccccc2)cc1 1873470530 KEOARFBJLHBNLJ-HNFXQVNOSA-N 434.499 5.842 30 10 IKEE C=CCN(CC=C)C(=O)c1ccc2nc(-c3ccc(OCCCCCC)c(OC)c3)[nH]c2c1 1873504506 YSMYTJYHSKMHRM-UHFFFAOYSA-N 447.579 6.012 30 10 IKEE CCOc1ccc(/C=N/Nc2cnn(-c3ccc(Cl)c(Cl)c3)c(=O)c2Cl)cc1 1873529126 NNBPINZPIACNCS-AUEPDCJTSA-N 437.714 5.037 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cc3ccccc3)cc2)cc2c(NCCC)ncnc21 1873601225 OXUWNIQASLVYGF-UHFFFAOYSA-N 425.536 5.282 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(OC)c(OC)c1)n2C 1873619446 AWLRFYLDFMWNIX-UHFFFAOYSA-N 439.560 5.010 30 10 IKEE Cc1ccc(C)c(OCc2nnc(SCc3ccccc3)n2/N=C/c2cccn2C)c1C 1874255328 VWLXBYCMFYTKKD-CVKSISIWSA-N 445.592 5.295 30 10 IKEE CCCCC1CCC(c2nnc(SCCc3ccccc3)n2/N=C/c2ccccn2)CC1 1874288271 WNOPHRAFLBFLLK-VFCFBJKWSA-N 447.652 6.354 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(COc2cccc(C)c2C)nnc1SC 1874322163 CVZGRMVDFVJAPO-AFUMVMLFSA-N 432.549 5.240 30 10 IKEE Cc1ccccc1CSc1nnc(CCc2cccs2)n1/N=C/c1ccc(O)cc1 1874368722 PNZRCUBKGUFEGJ-BUVRLJJBSA-N 434.590 5.313 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2[C@H](C)c2ccccc2)c1 1874395146 FDUXERROVLQLLL-LWKXQZBCSA-N 440.616 6.530 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1cccn1C 1874398765 DMWYZPIQUDABNB-STPJHCLOSA-N 435.984 5.596 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccccc3)n2/N=C/c2cccc([N+](=O)[O-])c2)c1 1874428453 JSGIECHTOOJRFC-MFKUBSTISA-N 443.532 5.645 30 10 IKEE Cc1ccc(CSc2nnc(C(F)(F)F)n2/N=C/c2cccc3ccccc23)cc1 1874459121 XKFORBOFWPECPX-LGJNPRDNSA-N 426.467 5.933 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1ccc(OCCC)cc1 1874478456 ATQQFXKAFXDIIL-YZSQISJMSA-N 436.625 6.201 30 10 IKEE Fc1ccc(CSc2nnc(C3CC3)n2/N=C/c2cccc(Br)c2)cc1 1874516123 HNUXRPJKLIANSN-SSDVNMTOSA-N 431.334 5.232 30 10 IKEE CCc1nnc(SCc2ccccc2C)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874522569 ZTCGVSZNSVRIOB-WPWMEQJKSA-N 442.588 5.902 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccc2c(c1)OCCO2 1874527739 CVCVNWKRGQMOLF-FOKLQQMPSA-N 449.363 5.093 30 10 IKEE Cc1ccc(Cc2nnc(S)n2/N=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1C 1874562200 IGUWFPSLPVBXAY-JFLMPSFJSA-N 446.551 5.375 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccccc2/C=C/C(=O)c2cccc3ccccc23)c1 1874582383 LMCKCNJFHFPIFK-WUKNDPDISA-N 435.523 6.370 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCc3cccc(Cl)c3)ccc3ccccc23)cc1F 1874582572 VBJNOFIIWROKRS-VAWYXSNFSA-N 446.905 7.116 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC)c1OCc1cccc(C)c1 1874584919 HZKRNVJSUUCOCH-FYWRMAATSA-N 444.571 6.785 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)OCC(C)C)c(C)c1C 1874586644 XIDBCGRDHAEXRU-RMKNXTFCSA-N 430.928 5.440 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)c1OCc1ccccc1C 1874586870 IPMYTASWEKNSBD-VAWYXSNFSA-N 448.990 7.366 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1cc(Cl)ccc1OCc1ccccc1F 1874589064 QYOPHTMGJRCPAT-VQHVLOKHSA-N 445.317 6.925 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3cccc(C)c3C)c2)c1 1874594026 NZYOHTXPEPNQKM-ACCUITESSA-N 445.515 5.234 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)cc1OC 1874602920 GQVVZBIILBSCSQ-MDWZMJQESA-N 445.515 5.234 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(OC)c1OCC(=O)NCCC 1874603153 KSTFVLCDHLNJLT-SDNWHVSQSA-N 443.543 5.378 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1 1874613771 MIVNVGJIZIAWSW-WUXMJOGZSA-N 427.327 6.867 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(F)cc1 1874616708 OSUWMWSYWJEQGM-MKMNVTDBSA-N 433.479 5.446 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 1874619841 WAVJWHRFCIPTEL-UXBLZVDNSA-N 448.431 5.295 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OCc1ccc(C)cc1 1874622011 HGOWDFIBDPTIQO-XNTDXEJSSA-N 448.990 7.430 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)cc2)c1 1874628933 DDXIMDIFYKSTDA-SDNWHVSQSA-N 441.571 6.451 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 1874638482 CGCLHGOMPDKOHE-UUILKARUSA-N 439.870 5.401 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(C)c(C)c3)c2)cc1 1874695707 OWVBMMLVJQJIBB-LFIBNONCSA-N 442.555 6.770 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(C)cc3)c2)c1 1874704693 XCFKDHLEYPXGAK-KPKJPENVSA-N 432.472 5.136 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3cccc(C)c3)c2)cc1C(C)C 1874710645 GNNADFFJVGXPFN-OUKQBFOZSA-N 428.528 6.551 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3cccc(F)c3)c2)cc1C(C)C 1874711278 XXIBZJRGTJGJMA-VAWYXSNFSA-N 432.491 6.381 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc(Cl)c1OC(=O)CC(C)C 1875080039 AIOCXYZUUBYAFH-NTEUORMPSA-N 448.946 6.863 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3cccc(C)c3)cc2)cc1 1875099955 HHNYIUNTEJECQY-QGOAFFKASA-N 428.528 6.218 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)c(C)c3)c(OC)c2)cc1OC 1875103919 XAPGAQXBVOFADX-YRNVUSSQSA-N 446.499 5.445 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Cl)c(OC(=O)c2cccc(C)c2)c(OC)c1 1875118381 TYPYNKPJRZQSPV-VAWYXSNFSA-N 436.891 5.781 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(F)c(F)c1F 1875125686 VHPCLLRSMRKUKO-WTDSWWLTSA-N 446.808 5.881 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)Cc1ccc(Cl)c(Cl)c1 1875129173 NOBFQGBZSFOFIW-DHZHZOJOSA-N 441.310 6.046 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] 1875135838 KAANIGNVKMIDME-UKTHLTGXSA-N 447.443 5.036 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1Cl 1875147470 ZXVDTAFMPLHRIZ-RMKNXTFCSA-N 440.923 5.883 30 10 IKEE O=C(CCCOc1ccccc1Cl)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1 1875157968 YBFCFZMTVFPUNO-CXUHLZMHSA-N 438.882 6.140 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)CC(C)(C)C 1875174621 AQLPAMFMUYVBHS-PKNBQFBNSA-N 428.956 6.593 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)C3CCCC3)c(Cl)c2)c2ccccc12 1875192373 IMFYGVFGXILQOG-JLHYYAGUSA-N 434.919 6.494 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cccc(C(F)(F)F)c3F)cc21 1891237817 WJKXEWCYHYJDHB-UHFFFAOYSA-N 436.405 5.034 30 10 IKEE N#Cc1cccnc1OCC1CCN(C(=O)[C@@H](Sc2ccccc2)c2ccccc2)CC1 1891478024 CVIPVDHQSSYAPY-DEOSSOPVSA-N 443.572 5.104 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CCC(C)(C)CCNC(=O)OC(C)(C)C)NCCC 1922071723 MZCSDAVMENSZRF-HSZRJFAPSA-N 432.649 5.849 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C 1922079318 DWRXETJRQKPNLH-DHIUTWEWSA-N 432.649 5.799 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1C[C@@H](CC)CCN1C(=O)OC(C)(C)C 1922118697 JXWVTXIRSQSVFI-XWGVYQGASA-N 430.633 5.553 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C 1926635800 BZVOGIGIQOUPFN-BJKOFHAPSA-N 430.633 5.601 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)CC1 1948926216 AXJMYSDZMYJZQG-VXNXHJTFSA-N 430.633 5.601 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@](C#N)(N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1)C2 1950027299 SHTKZUMJXQWOTR-WIRVKHDMSA-N 447.963 5.373 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@H](C#N)c1ccc(OC(F)(F)F)c(Cl)c1 1978066172 VJGMWZUPSRDMPV-KRWDZBQOSA-N 440.849 6.241 30 10 IKEE CC(C)C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 2032484299 QARYKJUHZMGJEI-UQBPGWFLSA-N 449.636 5.732 30 10 IKEE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@H](C#N)c1c(Cl)cccc1Br 2033938340 QOEMRNFRHJGFKJ-SWLSCSKDSA-N 429.742 5.083 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)C1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2042149672 PMJVPPKCAQBQCT-IRXDYDNUSA-N 447.551 5.352 30 10 IKEE CCc1ccc([C@@H](C2CCC2)n2nc(C(C)(C)C)c(C#N)c2I)cc1 2079117165 ZPFWNHYDGCUJQU-GOSISDBHSA-N 447.364 5.609 30 10 IKEE CC(C)Oc1ccc([C@@H](n2nc(C(C)C)c(C=NO)c2Br)C2(C)CC2)cc1 2080117833 LDGGOKWVSHRLJB-LJQANCHMSA-N 434.378 5.754 30 10 IKEE C=CCCCCCCNc1cc(Br)c(Br)c(Br)c1 2085851493 HNNMFMQDFSUTKD-UHFFFAOYSA-N 440.017 6.523 30 10 IKEE C=CCCCCCCCC[C@@H](CCCN(Cc1ccccc1)C(=O)OC(C)(C)C)NCC 2086278323 GYENZTNSRMKVLZ-SANMLTNESA-N 444.704 7.489 30 10 IKEE N#Cc1ccc(Br)cc1NCc1cc(Br)ccc1Br 2088092631 KLOMFZOERRJHDD-UHFFFAOYSA-N 444.952 5.458 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCC[C@@]23C[C@@H](CO2)[C@H]31 2144304104 YELXVXBRTUWLFQ-XWIOLROMSA-N 433.346 5.042 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCN(c2ccc(C#N)c(Br)c2)c2ccccc21 2174811009 SNLQYUOZPVADEH-SFHVURJKSA-N 428.330 5.428 30 10 IKEE CC#CCCCC[C@H](NCCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2196174594 PBLLESOCPQTAPG-IBGZPJMESA-N 437.422 6.421 30 10 IKEE C#CCCCC[C@@H](NCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237398079 AHDHDOSHEDBPJI-WOJBJXKFSA-N 437.422 5.057 30 10 IKEE CCCCCCC[C@@H](NC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237408059 ZQNWEMNZDDWBEO-UXHICEINSA-N 441.454 5.833 30 10 IKEE C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1 2247909225 GXPKKSRYUYUZQB-GOSISDBHSA-N 425.403 5.854 30 10 IKEE Cc1cc(NC(=O)OC(C)(C)C)ccc1NC(=O)[C@H]1C[C@H](B2OC(C)(C)C(C)(C)O2)C1 2255610294 BWYMEKFQSDGXMX-WKILWMFISA-N 430.354 5.153 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCC(=O)O)c1c(C)sc(C)c1Br 2261837334 UJEMFPVGPHSSQX-IBGZPJMESA-N 425.344 5.043 30 10 IKEE Cc1ccc(C(=O)N(Cc2ccccc2)[C@@H](C)C(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2267599904 XMVYQPGNOMIPHE-FQEVSTJZSA-N 435.417 5.371 30 10 IKEE C[C@@H]1Oc2ccccc2C=C1C=C1Oc2cc(OCc3ccccc3Cl)ccc2C1=O 2296270518 QGGSZYAFSHPLCU-INIZCTEOSA-N 430.887 6.243 30 10 IKEE CCC[C@@H](CCNC(=O)OC(C)(C)C)CC[C@@H](O)C#Cc1ccc(Br)cc1 2296282532 XWXQXEMUVMPVFA-YLJYHZDGSA-N 438.406 5.273 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)CN(CC(C)(C)C)C(=O)OC(C)(C)C 2296297575 AHUXFUGATDMPMK-LJQANCHMSA-N 437.422 5.062 30 10 IKEE CCCc1sc(C(=O)C=Cc2ccc(OCc3ccccc3)cc2)cc1Br 2297115605 LCKIZAZNPGSHGX-UHFFFAOYSA-N 441.390 6.938 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 2297458497 FHDWDEJFAWUXBB-DEOSSOPVSA-N 440.455 5.086 30 10 IKEE COc1ccc(C=C2SC(=Nc3ccccc3)N(C3CCCCC3)C2=O)cc1[N+](=O)[O-] 2297616355 IFEXRTOWUKOQPF-UHFFFAOYSA-N 437.521 5.540 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@]12CC[C@H]1CN(C(=O)OC(C)(C)C)C2)NCCC 2297890004 YLPYHOVAFCNZQN-ZEVJAHDQSA-N 428.617 5.165 30 10 IKEE O=C1N=C(NN=Cc2ccccc2)SC1=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 2314482785 VREQQQYKZOCYHW-UHFFFAOYSA-N 441.434 5.559 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1cn(C)c2ccccc12 2318571838 UGHNVLQQJFEXHF-UHFFFAOYSA-N 439.588 6.050 30 10 IKEE Cc1ccc(OCc2nnc(S)n2N=Cc2ccc(OCc3ccccc3)cc2)cc1C 2322056816 SKLFDIOWFDQJHU-UHFFFAOYSA-N 444.560 5.224 30 10 IKEE CCCCC[C@H](CC)N1COc2cc(C)c3c(c2C1)OC(=Cc1ccccc1OC)C3=O 2322072938 XGTDERFDROKBIS-FQEVSTJZSA-N 435.564 6.131 30 10 IKEE CCCCOCCCN1COc2ccc3c(c2C1)OC(=Cc1ccc(Cl)cc1)C3=O 2322143638 XGYJZBRPWMWHIX-UHFFFAOYSA-N 427.928 5.315 30 10 IKEE Cc1ccc(NC(=O)COc2ccccc2C=CC(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 2322307839 YAOFNVIQKRPUJC-UHFFFAOYSA-N 430.460 5.125 30 10 IKEE COc1cccc(C=CC(=O)c2ccc3ccccc3c2)c1OCC(=O)NCc1ccco1 2322328361 LRAAKBWAJHSTQS-UHFFFAOYSA-N 441.483 5.033 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1c(Cl)cccc1Cl)C3=O)CN(CCC(C)C)CO2 2322437013 FTOBZSKEAMECDH-UHFFFAOYSA-N 432.347 6.116 30 10 IKEE Cc1cc(C(=O)C=Cc2cc(Cl)ccc2OCc2c(Cl)cccc2Cl)ccc1F 2322634676 IFHPSPJFMUIFHN-UHFFFAOYSA-N 449.736 7.569 30 10 IKEE Cc1ccc(NC(=O)COc2ccccc2C=CC(=O)c2cccc3ccccc23)cc1C 2322714828 WLDVGGMSXFHVMU-UHFFFAOYSA-N 435.523 6.370 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2cc(C)ccc2C)c(OC)c1 2322907207 XSRXQTCMSYYNCD-UHFFFAOYSA-N 432.516 5.804 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(=O)C=Cc4ccc(F)cc4)ccc3C2=O)c1OC 2323044052 HIAQUNKFDVJUDI-UHFFFAOYSA-N 446.430 5.078 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OCC(=O)Nc1cc(C)ccc1C 2323138614 VJELWGRWFADNTM-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2cccc(OCc3c(Cl)cccc3Cl)c2)c1C 2323259527 RDRKUVUBCXOSFW-UHFFFAOYSA-N 439.382 7.702 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1 2323419596 ALBXFXXFLUGVGT-UHFFFAOYSA-N 439.555 6.041 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)C=Cc1ccc(C(C)(C)C)cc1 2323458997 NMQXGMYNQVFTQH-NDEPHWFRSA-N 442.688 6.539 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCCCO)c(Cl)c2)cc1OCCC 2323744615 SHGXDASLFCTVQF-UHFFFAOYSA-N 432.944 5.575 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OC(=O)c3ccc(OC(C)C)cc3)cc(C)c2C1=O 2323814184 XPQUBOFPOPDPQO-UHFFFAOYSA-N 434.513 5.988 30 10 IKEE COc1cccc(C=NNc2nc(-c3ccc(C)cc3)cs2)c1OCc1ccccc1 2323865626 BGINKIDDGPGUCP-UHFFFAOYSA-N 429.545 6.152 30 10 IKEE CC(=O)Nc1ccc(-c2csc(NN=Cc3ccc(OC(C)C)c(Cl)c3)n2)cc1 2323865728 RVUBALIYPVDBOZ-UHFFFAOYSA-N 428.945 5.655 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCCc1ccccc1 2323895854 BJGYDMMTAYQKJR-UHFFFAOYSA-N 427.327 6.520 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OCc1nc(O)c2ccccc2n1 2323921197 RBBOLRCASRUIIF-UHFFFAOYSA-N 426.472 5.128 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc([N+](=O)[O-])c1OCc1cccc(F)c1 2323959463 MBZCEOVXOVNBDT-UHFFFAOYSA-N 449.478 6.225 30 10 IKEE Cc1ccc(C=C2Oc3c(CN(C4CCCCC4)C4CCCCC4)c(O)cc(C)c3C2=O)o1 2324044632 FZSAQNFRVDEBGO-UHFFFAOYSA-N 449.591 6.686 30 10 IKEE CCN(CC)C(=O)COc1c(OC)cc(C=CC(=O)c2cccc3ccccc23)cc1OC 2324129727 CEFLZQHEZNWBDD-UHFFFAOYSA-N 447.531 5.000 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(C(=O)OC)cc3)n2)cc1 2324405670 JHIRZWIDAWOBOP-QFIPXVFZSA-N 444.556 5.829 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)ccc1OCc1cccc(F)c1 2324545211 WFHTXWQTBNCPNE-UHFFFAOYSA-N 440.898 6.280 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(C=CC(=O)c3c(C)cc(C)cc3C)cc2Cl)c1 2324546025 TYGLOLNDZDJQIL-UHFFFAOYSA-N 447.962 6.487 30 10 IKEE CCCC[C@@H](Oc1ccc2c(c1C)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O)C(=O)O 2324781846 CWDQGRMJUGBWCR-XMMPIXPASA-N 442.511 6.300 30 10 IKEE CCCOC(=O)[C@H](CC)Oc1cc(C)c2c(c1)OC(=Cc1ccc(Cl)cc1Cl)C2=O 2325092471 WFNOMLANJPEEBU-SFHVURJKSA-N 449.330 6.029 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1ccc2c(c1C)OC(=Cc1cccs1)C2=O 2325092773 IZGJKEGUWZRDTJ-IBGZPJMESA-N 428.550 5.954 30 10 IKEE COc1ccc(C)cc1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccccc1F)C2=O 2325119243 ICPHCKRPJXOFSW-UHFFFAOYSA-N 447.462 5.085 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 2325704599 ACNLBMMROOHKBE-UHFFFAOYSA-N 442.555 6.670 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3cc(C)c(Cl)c(C)c3)c2)cc1 2325705682 LPWRDGLOOJHQPG-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1OC(=O)c1sccc1C 2325736733 LUNDOWFNHHMPMY-UHFFFAOYSA-N 447.339 6.487 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OCC(=O)Nc3cccc(C)c3C)c2C)C1=O 2325738283 FTLJZDBKVJJAIF-UHFFFAOYSA-N 427.500 5.554 30 10 IKEE CCSc1nnc(CCCOc2ccc(OC)cc2)n1N=Cc1cccc2ccccc12 2326269350 FIDYAYCZAYCRDH-UHFFFAOYSA-N 446.576 5.446 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1cc(Cl)c(O)c(Cl)c1 2326306479 YOJKRICVLZSJSO-UHFFFAOYSA-N 449.407 6.116 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccncc2)c(C)c1 2326460731 KRCIZCLNNVVHQM-UHFFFAOYSA-N 427.577 5.250 30 10 IKEE C=CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1cn(C)c2ccccc12 2326927016 RPDBETIOFLSAKK-UHFFFAOYSA-N 445.636 5.689 30 10 IKEE CCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1ccc(Cl)c(Cl)c1 2326991840 AQNPGPKCXXWOBK-UHFFFAOYSA-N 449.407 5.899 30 10 IKEE C=C(C)CSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccccc1OC 2327272464 KJXGPGGNFQKQSE-UHFFFAOYSA-N 436.581 5.341 30 10 IKEE COc1cccc(C=C2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)c1OC 2328655211 DMTURCIWRDULJN-HMFPMLCJSA-N 436.592 5.590 30 10 IKEE COc1cc(C=Nn2c(SC)nnc2-c2ccccc2)ccc1OCCc1ccccc1 2330621840 DOJQBDBDRQNTLR-UHFFFAOYSA-N 444.560 5.179 30 10 IKEE O=C(Cc1ccccc1)Oc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1Cl 2330659390 USYBXIDLMBFYHG-UHFFFAOYSA-N 426.899 6.537 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)cc2)cc1 2330952968 RVVBAZSLKDMNCB-DHIUTWEWSA-N 432.903 5.954 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)COc1c(C)cccc1C 2331165423 JUJIMQNGOMHEIL-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 2331295599 HDDZAWKONJPONC-UHFFFAOYSA-N 442.555 6.888 30 10 IKEE COc1cc(C=Nn2c(SCc3ccccc3)nnc2C(C)(C)C)cc(Cl)c1O 2331394668 ILHAGRUPEJRDDW-UHFFFAOYSA-N 430.961 5.118 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2C(C)(C)C)cc1 2331397494 IUPCMIXXGVVTJH-UHFFFAOYSA-N 449.668 6.213 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc3ccccc23)n1N=Cc1cccc(Cl)c1 2331403883 PHKPSTWCHLDQJU-UHFFFAOYSA-N 434.996 6.557 30 10 IKEE Cc1cccc(OCC(=O)Oc2ccc(C=CC(=O)c3cccc4ccccc34)cc2)c1C 2331469894 HRXYWSKPAQKBNC-UHFFFAOYSA-N 436.507 6.337 30 10 IKEE C=CCc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OC(=O)CCCC 2331656577 VORACNITMITIGG-UHFFFAOYSA-N 434.576 6.649 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(SCc2ccccc2Cl)nnc1C(C)C 2331701526 MLFUUASEZLJMHI-UHFFFAOYSA-N 428.989 6.017 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(Cl)c3)c(Cl)c2)cc1C 2331706261 UFOCCSRPLVRSET-UHFFFAOYSA-N 425.311 6.726 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3)c([N+](=O)[O-])c2)cc1C 2331707357 VSKPUXCXUABTIM-UHFFFAOYSA-N 429.472 5.646 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C(C)C)cc1 2331708231 ULILNZFJJALMTN-UHFFFAOYSA-N 428.989 6.018 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](N)c1c(C)c(C)c(Br)c(C)c1C 2345960370 WOGXIDGLHRORGW-QFBILLFUSA-N 425.411 5.542 30 10 IKEE COc1cccc2c(C)cc(-n3ncc(C#N)c3NC(=O)c3cccc4ccccc34)nc12 12289322 IXMHUEWFSXVGQZ-UHFFFAOYSA-N 433.471 5.015 30 10 IKEE COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccc(OC)c2)C3)cc1 20882770 KSKBAHASPASGNT-PPHZAIPVSA-N 426.516 5.683 30 10 IKEE COc1ccc(C(=O)/N=C(/NCCc2c[nH]c3ccccc23)Nc2cccc(C)c2C)cc1 32943450 IABABZBSLXGFDL-UHFFFAOYSA-N 440.547 5.234 30 10 IKEE Cc1c(C(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)c(O)n([C@@H](C)c2ccccc2)c(=O)c1C#N 38623315 ABSGIQRDSWKQSC-RBUKOAKNSA-N 444.531 5.117 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2sc(=S)c3c(c2C#N)CC[C@@H](C)C3)c1 41013878 FNEQNEHCXOUBQI-OAHLLOKOSA-N 437.634 6.564 30 10 IKEE C=CCOc1ccc(NCC(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)cc1 66227270 IYEOTBCCIDOWBT-UHFFFAOYSA-N 441.959 5.018 30 10 IKEE CCCCCCCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2CCCOC)cc1OC 100136915 ZKNHRAIGIPOHRW-RUZDIDTESA-N 440.584 5.647 30 10 IKEE CN1/C(=C2/S/C(=N/c3ccc(F)cc3)N(C3CCCCC3)C2=O)Sc2ccccc21 100266858 RBDMRKYPGQLHFZ-CCSRSWJSSA-N 439.581 6.133 30 10 IKEE O=C1/C(=C/c2c(Cl)cccc2Cl)S/C(=N/c2nccs2)N1c1ccccc1 101128630 IYBTWRZQLDHQOC-RFTHPBJJSA-N 432.357 6.259 30 10 IKEE CCCCCCCN1C(=O)/C(=C2\SC(=S)N(C3CCCCC3)C2=O)c2ccccc21 101629776 DNTGQNYDROEJOF-MRCUWXFGSA-N 442.650 5.908 30 10 IKEE COc1cc(OC)c(OC)cc1/C=C1/Oc2cc(OCc3ccccc3C)ccc2C1=O 103019056 OMJUPSSJNPSREE-BRJLIKDPSA-N 432.472 5.216 30 10 IKEE CCn1cc(/C=C2\Oc3c(ccc(OC/C=C\c4ccccc4)c3C)C2=O)c2ccccc21 103024234 VTWNAFPHVFGPMF-PFGNTGFVSA-N 435.523 6.678 30 10 IKEE Cc1nc(-c2cccc(Br)c2)ccc1C(=O)N[C@@H](C#N)c1ccc(F)cc1F 111219620 LPNPZNCFYUEAEJ-FQEVSTJZSA-N 442.263 5.092 30 10 IKEE CCCCCCCCCOc1ccc([C@@H]2NC(=S)N(C)C3=C2C(=O)CCC3)cc1OC 169936722 AKXXNEXKBPYGQU-DEOSSOPVSA-N 444.641 5.693 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccccc2OC)cc1 169941284 DQZYFDFYWHLVRQ-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(O)cc2)cc1 169959316 BREIXIZWDUBUQG-XMMPIXPASA-N 439.467 5.484 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccc(F)cc2F)c1 169971266 KGLYGSDWINOMHS-HSZRJFAPSA-N 445.421 5.802 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2cccs2)cc1 169985448 BFJCJKGSSHETEJ-FQEVSTJZSA-N 439.920 5.583 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccnc2)cc1 170003488 ZCYTURSBWUUPRT-JOCHJYFZSA-N 446.934 5.815 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(OCC)cc2)cc1 170028955 FQZZPPVVFUZSNX-DEOSSOPVSA-N 443.499 5.267 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccc(C)o2)c1 170099427 CSMAQYUVHAXWFC-QHCPKHFHSA-N 442.471 5.251 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccs2)cc1 170154344 VFJPIZLJMVNJQM-HXUWFJFHSA-N 439.558 5.377 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1cccs1 170162166 OEBQKWQAJYYSOM-LAUBAEHRSA-N 439.577 5.111 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(OCC(C)C)cc1 170167341 ZGIJGGNRLJMOEM-OAQYLSRUSA-N 427.928 5.363 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(OCC)c(OC)c1 170216431 UIWRMYHORFUHLQ-DEOSSOPVSA-N 445.515 5.235 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@H]1c1ccccc1 170223690 XJMXIQBVNDJNCF-DEOSSOPVSA-N 441.527 5.712 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccccc2)cc1C 170223851 NFWLBPXLGORGDO-RUZDIDTESA-N 441.527 5.793 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(F)cc1 170241199 PLCLSDAIUHCHCM-HSZRJFAPSA-N 447.506 5.803 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1ccc(C(C)C)cc1 170245907 QUQBFGWGGRAIAQ-VWLOTQADSA-N 449.591 6.367 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)C[C@H](C)O3)=C(O)C(=O)N1Cc1cccs1 170270011 OJIOHFOWSXGQCO-QMHKHESXSA-N 445.540 5.158 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccco1 170286161 PWKGTDHLSWDHGJ-QFIPXVFZSA-N 431.488 5.369 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2cccc(Cl)c2)o1 170303607 KBUBFFJJZLOXBW-RCDICMHDSA-N 449.890 5.348 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(C)o1 170304246 UKTSUFLJZRQWBI-DEOSSOPVSA-N 439.467 5.533 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1sccc1C 170314359 QPJWSIUCEQGFLM-NRFANRHFSA-N 449.528 5.165 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2cccc(OCCC)c2)c1 170323513 GXNVUEOSMNGJNJ-HSZRJFAPSA-N 437.536 5.253 30 10 IKEE COc1cccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cccc(OC(F)(F)F)c2)c1 170429420 AWUWBDOCIWATJY-GOSISDBHSA-N 449.425 5.109 30 10 IKEE C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N 170522179 XCAVUHMRZQSFKI-KRWDZBQOSA-N 442.902 6.545 30 10 IKEE CC(C)[Si](C(C)C)(C(C)C)n1cc(B2OC(C)(C)C(C)(C)O2)c2cc(Cl)ccc21 198940030 ASACENASMVBJRN-UHFFFAOYSA-N 433.905 6.618 30 10 IKEE CC(C)[Si](C(C)C)(C(C)C)n1cc(B2OC(C)(C)C(C)(C)O2)c2cc(Cl)cnc21 199595045 PGOCNAKMPYFFNM-UHFFFAOYSA-N 434.893 6.013 30 10 IKEE N#Cc1ccc(Nc2cc(Br)ccc2Br)c(Br)c1 213251826 BJCWXHIMSAOFFS-UHFFFAOYSA-N 430.925 5.589 30 10 IKEE Cc1ccc(N=Cc2ccc3ccccc3c2O)cc1NC(=O)C12CC3CC(CC(C3)C1)C2 254383914 HBZLWIZKBMWHHS-UHFFFAOYSA-N 438.571 6.759 30 10 IKEE COc1cc(C=NNc2nc(C)nc3sc(-c4ccccc4)cc23)cc(OC)c1OC 254440461 GHQPCINNPGPGES-UHFFFAOYSA-N 434.521 5.139 30 10 IKEE O=c1oc2ccccc2cc1-c1ccc(N=Cc2ccc(OCc3ccccc3)cc2)cc1 254533164 NTFYWERIAPEKIT-UHFFFAOYSA-N 431.491 6.790 30 10 IKEE CSc1ccc(C=NNc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1 254569507 QOMIDTHELRGFPC-UHFFFAOYSA-N 427.537 5.527 30 10 IKEE CC(=Nn1c(-c2ccc(Cl)cc2)csc1=Nc1ccc(F)cc1F)c1ccccn1 254605449 CSBGZPWNXMBIQP-UHFFFAOYSA-N 440.906 6.048 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccc(Cl)c2)cc1 526486089 JRYWAMJFSPUZGS-XMMPIXPASA-N 444.918 6.058 30 10 IKEE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccccc2C#N)[C@@H]1c1ccc(F)cc1 526610516 YZNWQYXUWSMOLK-HSZRJFAPSA-N 444.462 5.162 30 10 IKEE Cc1ccc(SC2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(F)c(F)c3)C2=O)cc1 526663005 MTZQRXRIUYOBBW-UHFFFAOYSA-N 447.466 5.134 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(Cl)ccc2O)cc1 526709468 GAEPITRGSPPAIV-JOCHJYFZSA-N 449.890 5.227 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Oc3ccccc3)cc2)[C@@H]1c1ccccc1)c1ccccc1 526773049 NZXARIXONOIJDC-AREMUKBSSA-N 447.490 6.262 30 10 IKEE CCOc1ccc2ccccc2c1/C=N\n1c(C)nnc1SCc1ccc(Cl)cc1 526806550 JMBQMCNIJXKERE-QFEZKATASA-N 436.968 5.966 30 10 IKEE CCCOc1ccc(/C=N\n2c(C)nnc2SCc2ccc(Cl)cc2)cc1OCC 526806664 PLXDFNIFNZCLNA-OYKKKHCWSA-N 444.988 5.602 30 10 IKEE Oc1ccccc1/C=N\n1c(CCc2ccccc2)nnc1SCc1cccc(Cl)c1 526812845 ORGUGBAWOBYGSU-QQXSKIMKSA-N 448.979 5.597 30 10 IKEE CCCOc1cccc(/C=N\n2cnnc2SCc2ccc(Br)cc2)c1 526819960 PWMGHZLUIOPNGS-UUYOSTAYSA-N 431.359 5.004 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1ccc(O)cc1 526824318 VZWQWTCKGIPHOM-FMCGGJTJSA-N 435.380 5.808 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@@H](NC(=O)CC3CCCCC3)C2)c1 586036826 ASNRRVULUAIAFC-HSZRJFAPSA-N 425.617 5.215 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@@H](C#N)c1ncc(Br)cc1Br 698827066 LNTIOJZSCDUAFZ-ZDUSSCGKSA-N 447.171 5.064 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)CC1 704048296 JZDZLWRSOFTWRE-JOCHJYFZSA-N 435.590 5.169 30 10 IKEE Cc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)c(C)c1Br 719525215 QSQFBPUKWXFKLC-IBGZPJMESA-N 435.406 6.591 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@]1(C#N)CCCN(C(=O)OCc2ccccc2)C1 720801088 PWELOQMSQGXEPL-VWLOTQADSA-N 435.524 5.123 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 724079762 RUJDPJXEUHKLDZ-KOSHJBKYSA-N 435.609 5.533 30 10 IKEE CCCCCCCN1C(=O)C[C@@H](C(=O)Nc2ccccc2)SC1=Nc1ccc(F)cc1 725391971 ZLNLIYIECUBHAL-NRFANRHFSA-N 441.572 5.756 30 10 IKEE CCC(C)=NNc1nc2cc(C)c(NC(=O)COc3ccc(Cl)cc3)c(C)c2s1 1081379614 RAQAAGUTQYEYAV-UHFFFAOYSA-N 430.961 5.782 30 10 IKEE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(F)cc1)CC2=NOC(=O)c1ccccc1Cl 1772722669 NVCOCIHUKGRXFH-RPWUZVMVSA-N 442.918 5.847 30 10 IKEE Cc1ccc(COc2cccc(/C=C3\SC(=Nc4cccc(C)n4)N(C)C3=O)c2)cc1 1772732513 XRMBZOPTZRESJY-OWJZXNPYSA-N 429.545 5.511 30 10 IKEE COc1ccc(-c2nn(-c3cccc(F)c3)cc2/C=N\NC(=S)Nc2ccccc2)cc1 1857809244 SBVNBKAFHVGZAL-YSMPRRRNSA-N 445.523 5.008 30 10 IKEE N#Cc1ccccc1NC(=O)c1cc(-c2cccc3ccccc23)n(-c2ccc(Cl)cc2)n1 1859391509 YXPZOIWBOJSALF-UHFFFAOYSA-N 448.913 6.470 30 10 IKEE COc1cc(/C=N/NC(=S)NC2CCCCCCCCCCC2)cc(OC)c1OC 1860497557 SUNRDBRVUWBRNJ-JJIBRWJFSA-N 435.634 5.184 30 10 IKEE CCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)CCc1ccc(C)c(C)c1 1861094071 WMBYBOXKUVCAFA-AREMUKBSSA-N 436.640 5.440 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)c1cc(Cl)ccc1OC 1861539247 MFTZJHARBYUZAL-NRFANRHFSA-N 439.040 5.894 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(Cl)c2)cc1C 1862403404 VCVJUPMGPDFTNI-NRFANRHFSA-N 437.879 5.029 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@@H]2c2ccccc2C)cc1 1862411427 HTJFTIPNMCRJOP-QHCPKHFHSA-N 433.454 5.360 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc2cc[nH]c2c1 1862464178 QTLXEUCVOWBZJY-NRFANRHFSA-N 442.437 5.210 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2)cc1 1862475630 QXIZTXZZVDCPKW-CLOONOSVSA-N 425.528 5.897 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCc3ccccc3)[C@@H]2c2cccc(O)c2)cc1 1862475940 XVEJBILJUANWRY-RUZDIDTESA-N 441.527 5.302 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2cccc(Cl)c2)cc1 1862476952 QURUILPUANEROH-HSZRJFAPSA-N 449.909 5.609 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(F)cc2F)cc1 1862477190 JBBFPQUXCJROIH-QHCPKHFHSA-N 449.453 5.060 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2cccc3ccccc23)cc1 1862480197 AESIKWWFNRLQBX-XMMPIXPASA-N 429.516 5.152 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@@H](C)c2ccccc2)c1 1862489675 YBYQOZJLNYLGBW-DFBJGRDBSA-N 441.527 5.652 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCCCCC2)c1 1862489883 JPOZCKFQNIOLCE-VWLOTQADSA-N 431.576 6.303 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2ccc(C(C)(C)C)cc2)c1 1862494036 DMQPWTHLDGOCGT-DEOSSOPVSA-N 449.591 5.342 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2ccccc2F)ccc1F 1862501404 BQTBOYAJUUZGGC-DEOSSOPVSA-N 447.481 5.484 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2cccc(F)c2)ccc1F 1862502237 UUQXHXXLTLRTSP-OTPBECDQSA-N 425.475 5.430 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccc1 1862648703 IOJFLEBVBWJFMT-VWLOTQADSA-N 443.543 5.625 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(O)cc1)c1cccc2ccccc12 1862649806 HECFNKFOKCVDQT-RUZDIDTESA-N 435.479 5.324 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccc1Cl 1862652077 CEFVZSOFZJDNEC-QHCPKHFHSA-N 433.935 6.262 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2ccccn2)c1 1862661988 YTFLDPDDZFYBDO-XMMPIXPASA-N 426.516 5.292 30 10 IKEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccccc1C 1862662743 LSMPEKUMVHEMIH-XMMPIXPASA-N 434.580 5.039 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccc(C)cc2)cc1 1862676286 GABZLBWSHAECAP-DEOSSOPVSA-N 445.490 5.311 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccccc2F)cc1 1862686934 CYKYRMFVMHWRGM-QMHKHESXSA-N 431.463 5.174 30 10 IKEE CCCCCCCCn1cc(OCc2cccc(OC)c2)c(=O)cc1CSC(C)(C)C 1870165749 YPKWZDOKTTZQMZ-UHFFFAOYSA-N 445.669 6.828 30 10 IKEE C=CCOc1cn(CC=C)c(CSc2nc3ccccc3n2-c2ccccc2)cc1=O 1870244369 LQYPFQPPMJLYJU-UHFFFAOYSA-N 429.545 5.230 30 10 IKEE COc1cn(Cc2ccccc2Cl)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870295608 XTCKBAROCYUAOZ-UHFFFAOYSA-N 439.968 5.043 30 10 IKEE C=CCOc1cn(CCCCCC)c(CNc2cccc(OCc3ccccc3)c2)cc1=O 1870813571 QQHAZXLSMIXFGS-UHFFFAOYSA-N 446.591 6.185 30 10 IKEE C=CCn1cc(OCc2ccc(C(C)C)cc2)c(=O)cc1CNc1ccc(OC)cc1C 1870897258 FKVSCLYPBCKSSU-UHFFFAOYSA-N 432.564 5.666 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(OC(=O)/C=C/c4ccc(F)cc4)c3C)C2=O)c1 1871365962 KYPKHBTZXXXMNM-DIBFYORYSA-N 430.431 5.378 30 10 IKEE Cc1c(OC(=O)/C=C/c2ccco2)ccc2c1O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 1871369617 UXMIJZAIMWKTQA-AIEPUDQMSA-N 428.484 6.121 30 10 IKEE O=C(CC(c1ccccc1)c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O 1871381538 ZMUCXBVXKUPAER-QQXSKIMKSA-N 436.463 6.023 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc(-n4cccc4)cc3)ccc2C1=O 1871384524 WWSOPLNKCRPWGG-XYGWBWBKSA-N 437.451 5.321 30 10 IKEE Cc1cc(OCCCc2ccccc2)cc2c1C(=O)/C(=C/c1c(Cl)cccc1Cl)O2 1871399945 XHTXCOCUXNRIIG-HAHDFKILSA-N 439.338 6.930 30 10 IKEE Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1cccc(F)c1)C2=O 1871430396 JFZRVJCMCNXOGR-VLZFXTDASA-N 445.490 5.773 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C)cc4Cl)ccc3C2=O)cc1 1871435747 APCVXWMRINGGIQ-FMCGGJTJSA-N 449.890 5.291 30 10 IKEE CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccccc2)C3=O)cc1 1871449422 WMASJVYGDKBYKC-BEXDPUPVSA-N 441.483 5.220 30 10 IKEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 1871793546 AVHRKAQGOURACQ-JOCHJYFZSA-N 449.016 5.269 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)CCC 1871946888 OBTUTGBNOGQFEF-GOSISDBHSA-N 435.417 5.109 30 10 IKEE N#C[C@H](C(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872760726 WQUNXBNPHVDTSA-OGECGYFKSA-N 429.501 5.487 30 10 IKEE Cc1cccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1C 1872762138 DVAIALHWUUQNQD-INIZCTEOSA-N 431.344 5.989 30 10 IKEE COc1c(Cl)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)Cc2ccccc2F)n1 1872778942 XYSULQWMODFYLV-CQSZACIVSA-N 435.307 5.684 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(NC(C)=O)c3)n2)c(OCC)c1 1872783681 FXMVLXMQSZLGBT-HXUWFJFHSA-N 449.532 5.056 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OCC(C)C)cc3)n2)c(OC)c1 1872783931 LTHISUOIUNIUTH-HXUWFJFHSA-N 436.533 5.352 30 10 IKEE CCCCCCCCNC1=C(c2ccc(-c3ccccc3)cc2)C(=O)N(CCOC)C1=O 1873088602 KRQRVLMXOIAGGM-UHFFFAOYSA-N 434.580 5.030 30 10 IKEE Cc1ccc(/C=N/n2c(Cc3ccc(Cl)cc3)nnc2SCc2cccc(C)c2)cc1 1874336910 PILZVVJDVSCCLN-JVWAILMASA-N 447.007 6.314 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2/N=C/c2ccccc2)cc1 1874356226 YCBZBTHZDRBDJP-WPWMEQJKSA-N 426.589 5.969 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2/N=C/c2ccccc2)c1 1874357192 VIYLWUNHDPSDPG-WPWMEQJKSA-N 426.589 5.969 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccccc1 1874363843 FJOHCTICGDYDHC-WPWMEQJKSA-N 447.007 6.200 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2ccccc2F)nnc1[C@H](C)c1ccccc1 1874395920 YMPLSJCYSPODCX-BWJYWGHISA-N 430.552 6.052 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCCc2ccccc2)n1/N=C/c1ccc(O)cc1 1874400720 XYRBSVDCXNMGSM-FIKCODCVSA-N 428.561 5.353 30 10 IKEE CCc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2cccc(Cl)c2)cc1 1874419345 JJHZTUMAMSFZLC-WPWMEQJKSA-N 447.007 6.259 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccccc3)n2/N=C/c2cccc3ccccc23)c1 1874427021 MGOFFVSIAXDUJD-MTDXEUNCSA-N 434.568 6.581 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(CC(C)(C)C)n2/N=C/c2cccs2)cc1C 1874436774 QIFDGDOZFOMBNT-YDZHTSKRSA-N 441.626 5.158 30 10 IKEE CCSc1nnc(CC(C)(C)C)n1/N=C/c1ccc(OCc2ccccc2)c(OC)c1 1874438188 OIWAKYVJFPJZDR-PCLIKHOPSA-N 438.597 5.449 30 10 IKEE C=CCSc1nnc(-c2ccco2)n1/N=C/c1ccc(OCc2ccc(C)cc2)cc1 1874467804 CLPNXRBJCXIKDF-PCLIKHOPSA-N 430.533 5.586 30 10 IKEE CCCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(N(C)C)cc1 1874479352 WVJBKTCKIMVYDH-OVVQPSECSA-N 443.620 6.014 30 10 IKEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3c(C)cccc3C)nnc2C(C)(C)C)cc1 1874481750 LYPZXCMDFGNLKY-AFUMVMLFSA-N 435.597 5.114 30 10 IKEE CCCOc1c(/C=N/n2c(CCC)nnc2SCc2cccc(F)c2)cccc1OC 1874503666 UDWVRJSXGYLJLR-MFKUBSTISA-N 442.560 5.342 30 10 IKEE CCCCOc1ccc(/C=N/n2c(CC)nnc2SCc2cccc(Cl)c2)cc1 1874528103 SLGSAUTVXWNREM-BUVRLJJBSA-N 428.989 5.847 30 10 IKEE CC(C)(C)c1nnc(S)n1/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1 1874559554 YPJNDRMBSJVDPV-FOKLQQMPSA-N 435.380 5.632 30 10 IKEE O=C(/C=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccc2ccccc2c1 1874571431 MXPSOIBBMNBGEL-WUKNDPDISA-N 448.949 8.122 30 10 IKEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1 1874575548 SRZHLEZGNZZWCJ-XYOKQWHBSA-N 436.851 5.162 30 10 IKEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1cccc(Cl)c1)Nc1ccc(F)cc1 1874577322 IRZFKTCTTDGLEM-ONNFQVAWSA-N 444.289 6.046 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Br)ccc2OCc2ccccc2F)c(C)c1 1874578897 LRFULXGMFOEJID-DHZHZOJOSA-N 439.324 6.680 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cc(Br)ccc2OCC(=O)OCC(C)C)c(C)c1 1874578903 LYQHHYSCLDDLRM-RMKNXTFCSA-N 445.353 5.540 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCCc3ccccc3)ccc3ccccc23)cc1F 1874582354 JYHORGVLBJTJJN-BUHFOSPRSA-N 426.487 6.505 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCCCO)cc1 1874584535 SZQMHIMQAWVVGL-GXDHUFHOSA-N 430.972 6.347 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)c(OC)c1 1874587960 NEBXJVLUQVJODL-VZUCSPMQSA-N 443.326 6.486 30 10 IKEE Cc1ccccc1NC(=O)COc1ccccc1/C=C/C(=O)c1cc(C(C)(C)C)ccc1C 1874589874 HMSVSSIKXJWTCI-BMRADRMJSA-N 441.571 6.515 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccccc1OCC(=O)Nc1cc(C)ccc1C 1874591810 CWEYCAGDDACGGF-ZRDIBKRKSA-N 449.934 5.879 30 10 IKEE O=C(/C=C/c1cccc(OCc2nc(O)c3ccccc3n2)c1)c1ccc2ccccc2c1 1874592827 DKXBNFNAQBHCKL-NTCAYCPXSA-N 432.479 5.964 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc3ccccc23)c(Br)c1OCCCO 1874597296 FCLUQPPQUOJNPZ-ZRDIBKRKSA-N 441.321 5.268 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc1OCc1ccccc1F 1874600479 OOHPSMDXHXERSR-CSKARUKUSA-N 440.898 6.280 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc1OCC(=O)OCC(C)C 1874600674 XJDBWGUORQQQIT-SOFGYWHQSA-N 446.927 5.140 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OCc1ccc(F)cc1 1874602009 PBTYZZANRKRISO-RQZCQDPDSA-N 438.498 6.976 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2OC)cc(OC)c1OCc1cccc(F)c1 1874611553 OCTCVTFGQUGLBJ-BUHFOSPRSA-N 432.491 6.047 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 1874620172 MUCZTOBTWQAZJM-IZZDOVSWSA-N 447.506 5.673 30 10 IKEE CCCCCCCCC(=O)Oc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC 1874699101 DKPMDYAGXSXKJT-FYWRMAATSA-N 428.956 6.901 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(C)c(C)c3)c2)cc1F 1874706977 JBSFUHJYILWROZ-UXBLZVDNSA-N 434.463 5.575 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)Cc2cccs2)c1 1874715336 ORVOKPVMVZLDPC-CMDGGOBGSA-N 426.921 5.763 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OC(=O)Cc1ccccc1F 1874716416 QQMRDZPYDJUMDH-PKNBQFBNSA-N 432.491 5.804 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc1OC(=O)c1ccc(F)cc1 1874718294 MXVIXWHQUNXYQG-XCVCLJGOSA-N 440.854 5.612 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3cccc(C)c3)c(OC)c2)cc1 1875112449 JDHUSQGPTBUOIF-MDWZMJQESA-N 432.472 5.136 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccncc2)c(Br)c1)c1cccc(Cl)c1 1875121458 QKPAAYRJYDBETJ-GQCTYLIASA-N 442.696 5.613 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc3c(c2)OCO3)c(Cl)c1)c1ccc(Cl)cc1 1875126285 ZEJBKTNUDIYGMI-UNXLUWIOSA-N 441.266 5.837 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)cc2)c(C)c1 1875131653 IKJFYROXTIQZKT-MLACNSTMSA-N 430.931 6.562 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3C)cc2Br)cc1 1875131883 SRGKQRITHWBPDJ-KPKJPENVSA-N 449.344 6.490 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccc(Cl)cc3)c(Cl)c2)cc1 1875133035 AOOULGNVDITTDR-AWNIVKPZSA-N 439.338 6.736 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3Cl)c(Cl)c2)cc1 1875155692 PIIZAIWRXDLYLS-NTUHNPAUSA-N 439.338 7.232 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)ccc1OC(=O)CC(C)C 1875164618 SEQKXFPLOCMSSI-OQLLNIDSSA-N 430.500 6.335 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)ccc1OC(=O)Cc1ccccc1 1875194101 KHRYXFABUNZPLO-DHZHZOJOSA-N 436.891 5.401 30 10 IKEE CN[C@H](C#Cc1ccccc1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875660384 JDZRLGMGPLGMMI-MUUNZHRXSA-N 433.551 6.157 30 10 IKEE O=C(Nc1cc(F)cc(C(F)(F)F)c1)Nc1cc(Br)cc(C(F)(F)F)c1 1890085084 PKSGMPZIESENBD-UHFFFAOYSA-N 445.132 6.270 30 10 IKEE C=C([C@@H](NCCC)c1cc(Cl)c(NC(=O)OC(C)(C)C)c(Cl)c1)[Si](C)(C)C 1923004252 JDRCAGFFOIWSLN-QGZVFWFLSA-N 431.480 6.815 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)[C@@H]2CCC[C@H]21 1926553846 DPANYSOUPDFTFP-FHAGJXEFSA-N 447.620 5.628 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@]1(C#N)CN(Cc2ccccc2)C(C)(C)C1 1949241452 IJLJXJXOTLWZGI-SANMLTNESA-N 425.617 5.893 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@H]2CCCCN2C(=O)OC(C)(C)C)c1 2032405307 HQOVMKLHDJKEJL-UXHICEINSA-N 445.560 5.118 30 10 IKEE C=C(C)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@H](O)[C@@H](O)C[C@@]34C)[C@H]12 2054357176 OESLKRXCBRUCJZ-AOJWUWBDSA-N 442.728 6.996 30 10 IKEE C=CCC[C@H](C)[C@H](NCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071265149 PAYROKWXPPNPOA-IADCTJSHSA-N 429.604 7.098 30 10 IKEE CCCc1ccc([C@H](C2CC2)n2nc(C3CC3)c(C=NO)c2I)cc1 2079847828 YXWCVXBATAGILJ-LJQANCHMSA-N 449.336 5.125 30 10 IKEE CCCc1ccc([C@@H](C2CCC2)n2nc(C(F)(F)F)c(C#N)c2Br)cc1 2079894882 LOWHIBQTDOPARJ-MRXNPFEDSA-N 426.280 5.878 30 10 IKEE COc1ccc([C@@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C(C)(C)C)cc1F 2080111929 AVMYAJRGZFDGLU-QGZVFWFLSA-N 438.341 5.288 30 10 IKEE CCCC#CCC(=O)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2083463100 UHFAGTIRXFEPPE-MUUNZHRXSA-N 428.528 5.641 30 10 IKEE C=CCCCCCCCC[C@@H](N)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2086258936 JNJZSHDTRZFASC-SHQCIBLASA-N 443.676 5.790 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CC[C@H](P(C)(C)=O)C1 2104502689 YGYIFLQZXGHMAP-QFBILLFUSA-N 441.306 5.628 30 10 IKEE CC1(C)OB(C2=CCCN(Cc3ccc(Cl)c(Br)c3F)C2)OC1(C)C 2132677609 QMQFWTLNADMEHP-UHFFFAOYSA-N 430.554 5.005 30 10 IKEE CN[C@H](CC#CC1CCCCC1)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2149864087 HHGSGKGFDBUIPB-HXUWFJFHSA-N 435.406 6.030 30 10 IKEE C[C@H](NC(=O)OC(C)(C)C)c1cccc(Nc2ccc(C#N)c(Br)c2F)c1 2162324402 OGVOKSZEAQBJBA-LBPRGKRZSA-N 434.309 5.789 30 10 IKEE C=C(F)C[C@H](NCCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229129324 WIHFLKWEUCJNDB-ROUUACIJSA-N 429.374 5.126 30 10 IKEE CCCCCCC[C@@H](N)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229132548 UHPUJGJEZLLCDO-MOPGFXCFSA-N 427.427 5.573 30 10 IKEE CC(C)(C)OC(=O)Nc1c(Cl)cc([C@H](O)C#Cc2ccc(Cl)cc2)cc1Cl 2239498218 DHFQLCWFYQGMCD-QGZVFWFLSA-N 426.727 6.079 30 10 IKEE C=CCCC1([C@@H](O)c2ccc(Br)c(Cl)c2)CN(C(=O)OC(C)(C)C)C1 2254928505 OZXJHJDTINBFKN-INIZCTEOSA-N 430.770 5.339 30 10 IKEE CC(C)(C)CN(Cc1ccccc1)C(=O)c1cc(Cl)cc(B2OC(C)(C)C(C)(C)O2)c1 2255543170 DENCADDXPSJVIN-UHFFFAOYSA-N 441.808 5.328 30 10 IKEE C=CCOc1ccc(C=C2SC(=Nc3ccc(F)cc3)NC2=O)cc1Br 2294013858 HIUSDHPZIPAHDY-UHFFFAOYSA-N 433.302 5.045 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)c1scc(Br)c1Cl 2296257023 CKBAMSSJQPSMRU-CYBMUJFWSA-N 433.596 5.629 30 10 IKEE Cc1ccc(N=C2SC(=Cc3cccc([N+](=O)[O-])c3)C(=O)N2c2ccc(C)cc2)cc1 2297532897 CJVRVNXVLRVBKZ-UHFFFAOYSA-N 429.501 6.020 30 10 IKEE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2Oc3ccc(C)cc3C2=O)cc1C 2314519252 GOYXBMSEKZDHFE-UHFFFAOYSA-N 448.522 6.337 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 2321309533 VFRAOZGEUCSEDY-PMACEKPBSA-N 441.572 5.418 30 10 IKEE COc1cc(C=NNc2ccc(Br)cc2)ccc1OCc1cccc(Cl)c1 2321718048 OZFUGKBMRXKCBX-UHFFFAOYSA-N 445.744 6.136 30 10 IKEE COc1ccc(C=NNc2ccc(Cl)c(Cl)c2)cc1OCc1ccc(Cl)cc1 2321720113 RJRZCIJOUPIVLW-UHFFFAOYSA-N 435.738 6.680 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCc4ccc(Cl)cc4Cl)cc(C)c3C2=O)cc1 2321787297 KQNPGVCRQKYDTD-UHFFFAOYSA-N 439.338 7.059 30 10 IKEE CCCCC[C@@H](CC)N1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(Cl)cc1)C3=O 2322072594 BTXZKESORLCAQB-HXUWFJFHSA-N 439.983 6.775 30 10 IKEE CCc1ccc([C@@H](C)N2COc3c(cc4c(c3C)OC(=Cc3cccs3)C4=O)C2)cc1 2322455481 NHNJTKDPYOXWGZ-QGZVFWFLSA-N 431.557 6.148 30 10 IKEE COc1ccccc1C(=O)C=Cc1c(OCC(=O)NCc2ccco2)ccc2ccccc12 2322479003 VSYTZBZDJLDKFP-UHFFFAOYSA-N 441.483 5.033 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccc(C)cc2C)cc1 2322605061 AZMGVRMORUWPIR-UHFFFAOYSA-N 443.543 6.006 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cc(Cl)cc(OC)c2OCc2ccccc2)c1 2322660076 DOESSRBLNHVZQC-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE Cc1ccc(C)c(COc2ccc(Cl)cc2C=CC(=O)c2ccc3c(c2)OCCO3)c1 2322671540 BONWOFCJQTVHGC-UHFFFAOYSA-N 434.919 6.203 30 10 IKEE Cc1cc(OC(=O)c2ccccc2Cl)cc2c1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)O2 2322724884 MQFDHAAFCLKOLI-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE Cc1c(OC(=O)c2cccnc2)ccc2c1OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2322807835 FVWCKSNPSNSQHR-UHFFFAOYSA-N 426.255 5.532 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccc(C)c(C)c2)c(C)c1C 2322815517 ALBQJYJNUICXRF-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccccc1OCc1ccccc1F 2322828281 KXCIBIHXLNRAOY-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2cccc(OC)c2OCc2cccc(C)c2)c1 2322864067 ZQXAUZGOHJAPSE-UHFFFAOYSA-N 446.543 6.276 30 10 IKEE Cc1ccc(CCC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1 2323087185 PDCLPAFOWWTIRJ-UHFFFAOYSA-N 440.539 6.581 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3ccc(CC)cc3)c2)cc1 2323135364 HQBOKYPVLQECIP-UHFFFAOYSA-N 429.516 5.561 30 10 IKEE Cc1c(OC(=O)C=Cc2ccco2)ccc2c1OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2323166728 RQIHHQNRNHCSCM-UHFFFAOYSA-N 448.474 6.490 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 2323194058 WORQDKHWADVRGZ-UHFFFAOYSA-N 439.382 7.766 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cccc(OCC(=O)N[C@H](C)c2ccccc2)c1 2323260289 PVGSEOZFRIONAL-OAQYLSRUSA-N 443.543 5.464 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)cc(Cl)c1OCc1ccc(C)cc1 2323472457 BHJMDIKDKFQGNG-UHFFFAOYSA-N 434.963 7.085 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2F)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 2323519147 QTVCSEKMYLMVEV-UHFFFAOYSA-N 446.261 6.516 30 10 IKEE CCCCCOc1ccc(C=NNc2nc(-c3cccc(OC)c3)cs2)cc1OCC 2323854588 YIGAULRTBJOYAJ-UHFFFAOYSA-N 439.581 6.232 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OCc1cccc2ccccc12 2324173536 PCTLZLHSLLIHEX-UHFFFAOYSA-N 436.551 7.447 30 10 IKEE C[C@@H](NC(=O)COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1Cl)c1ccccc1 2324183356 WJTHQHUEMRBOJX-QGZVFWFLSA-N 437.898 5.631 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OCCC)c([N+](=O)[O-])c2)cc1 2324209901 JQVUGDSVRTZHKK-UHFFFAOYSA-N 425.525 6.629 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(C(C)(C)C)cc3)n2)cc1OC 2324366099 MFGPXZSJPBNXMH-FQEVSTJZSA-N 446.572 6.014 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1 2324475257 NLELDZGOJZOAOI-INIZCTEOSA-N 431.463 5.410 30 10 IKEE Cc1cccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4cccc(C)c4C)ccc3C2=O)c1 2324498796 OWKMZKKNTMTYBD-LJQANCHMSA-N 427.500 5.634 30 10 IKEE CCc1ccc(OCCCOc2ccc3c(c2C)OC(=Cc2ccccc2Cl)C3=O)cc1 2324665371 HBQDIUFMDXUBQG-UHFFFAOYSA-N 448.946 6.675 30 10 IKEE COc1cccc(C=C2Oc3cc(OCCOc4ccc(Cl)cc4)cc(C)c3C2=O)c1 2324670321 NATDTCLBLPDXBL-UHFFFAOYSA-N 436.891 5.731 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OCc4ccc(C(=O)OC(C)C)o4)c3C)C2=O)c1 2325388102 SFWAVOSSMRWJAG-UHFFFAOYSA-N 432.472 5.657 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3)n2N=Cc2c[nH]c3ccccc23)c1 2325471530 SMWWKRZLGWRAHU-UHFFFAOYSA-N 437.572 5.833 30 10 IKEE COc1cccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccc(Cl)cc2)c1 2325493080 HVIQLCFMFWQDMR-UHFFFAOYSA-N 448.979 5.705 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1OC(=O)CCc1ccccc1 2325699109 PZJDAWMJRNCLQI-UHFFFAOYSA-N 436.507 6.283 30 10 IKEE CCCc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc(CC)cc3)c2)cc1 2325705668 KFSLLGXXFFMNFS-UHFFFAOYSA-N 428.528 6.082 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3cc(Cl)ccc3Cl)c2)cc1 2325738285 HCVLOQMYTRAKIN-UHFFFAOYSA-N 425.311 6.346 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)cc1 2325750784 HHAWANNVHFFOIU-UHFFFAOYSA-N 449.890 6.487 30 10 IKEE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2cccc(C=CC(=O)c3ccc(F)cc3)c2)cc1 2325751334 FTSKLLRNDVNPNX-IBGZPJMESA-N 432.491 6.218 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3sccc3C)c2)c(OCC)c1 2325762790 ZGGUQSXXHKDLFV-UHFFFAOYSA-N 436.529 5.969 30 10 IKEE COc1ccc(OCc2nnc(SC)n2N=Cc2sccc2C)c(C(C)(C)C)c1 2325816395 WTSDXVPQKGJGMQ-UHFFFAOYSA-N 430.599 5.137 30 10 IKEE CCOc1cc(C=Nn2c(C)nnc2SCc2ccc(Cl)cc2)ccc1OC(C)C 2326350384 SNIGFIDAACJBOR-UHFFFAOYSA-N 444.988 5.600 30 10 IKEE CCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1cccc(Cl)c1Cl 2326470594 CVRSZWIVGNAHKU-UHFFFAOYSA-N 425.772 5.975 30 10 IKEE CCCc1nnc(SCc2cccc(F)c2)n1N=Cc1cccc(OCC(C)C)c1 2326733793 GNDBVHGFQMBNBK-UHFFFAOYSA-N 426.561 5.579 30 10 IKEE COc1ccccc1CCc1nnc(SCc2ccccc2)n1N=Cc1cccc(C)c1 2328689883 XLORUTYXPOHGPP-UHFFFAOYSA-N 442.588 5.555 30 10 IKEE CCc1ccc(C=Nn2c(Cc3ccc(Cl)cc3)nnc2SCc2ccccc2)cc1 2329101075 GWKJZXAUDGLYRJ-UHFFFAOYSA-N 447.007 6.259 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)C[C@@H]2C[C@H]1CC2(F)F 2329112466 IVTNRDDYBPDCAT-LXIYXOSZSA-N 427.289 5.518 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccccc3Cl)n2N=Cc2cccc(O)c2)cc1 2329524118 HQAWNHKHJKGEIS-UHFFFAOYSA-N 434.952 5.787 30 10 IKEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)CSc1ccccc1 2330649073 KBAKNOHVXADJNX-UHFFFAOYSA-N 449.484 5.197 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)[C@@H]1[C@@H]2CCC(F)(F)[C@@H]21 2330652102 GMWIFQPVNCMAGA-DDWPSWQVSA-N 427.289 5.374 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccc(C)cc3C)cc2)cc1OC 2330707436 TVZUCQVHIKHIHO-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)cc3)cc2OC)cc1 2330990221 ZKYRJPLJJVFWMY-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2OC)cc(OC)c1OC(=O)c1cccc(C)c1 2331079813 HEQKPZQYIIXENN-UHFFFAOYSA-N 442.511 5.856 30 10 IKEE Fc1ccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C(F)(F)F)cc1 2331155044 MRZJZSGRUWSVNN-UHFFFAOYSA-N 449.260 5.917 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)COc1cccc(C)c1C 2331164312 ZOUSTSFFVFANLD-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE COc1ccccc1CC(=O)Oc1c(OC)cc(C=CC(=O)c2ccc(C)cc2)cc1OC 2331259827 GVXMQJAFUTYBLQ-UHFFFAOYSA-N 446.499 5.065 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccc(C)cc3C)cc2)cc1 2331294277 KECRXLYOKJPVSP-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1N=Cc1ccc(Cl)cc1 2331326595 JUFPQTGZYDAQFS-UHFFFAOYSA-N 441.988 5.196 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)c1cccc(C)c1 2331539770 SVJDTNNMYXYKTJ-UHFFFAOYSA-N 430.475 5.987 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SCc3ccccc3F)nnc2C(C)C)cc1 2331699427 PRIXYXGWCKFCFH-UHFFFAOYSA-N 440.588 6.284 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)c3ccccc3)cc2)c(OCC)c1 2331733056 KYFXLDXXTJZXSW-FQEVSTJZSA-N 444.527 6.089 30 10 IKEE C=CCc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)C(F)(F)F 2331780082 VVVVSVQTLQEIGY-UHFFFAOYSA-N 432.438 5.713 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1Cl 2331817097 NHEDMNOJHSFMRU-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)cc(OC)c1OC(=O)C(C)(C)C 2331863896 DLPGZJVYQDLWME-UHFFFAOYSA-N 447.358 6.578 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1cnc2c(c1)CCC2 2368002083 PBLKHIQXCOEUJH-LJQANCHMSA-N 428.330 5.339 30 10 IKEE C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccccc2)nnc1-c1ccc(Cl)cc1 20168988 ZRQSKCUFNSLSCD-JKSUJKDBSA-N 426.973 5.143 30 10 IKEE O=C(CCSc1n[nH]c(NN=C2CCCCC2)n1)N(c1ccccc1)c1ccccc1 21084553 JOLNRYKMXPVVEW-UHFFFAOYSA-N 434.569 5.384 30 10 IKEE CC(C)Oc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc3ccccc23)cc1 21225109 ZJBMQWPPZOSTMW-YKSBVNFPSA-N 425.528 5.631 30 10 IKEE CC(C)Oc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(Cl)c(Cl)c1)C2 21233837 SCHZBCFZIPSMNW-WBVHZDCISA-N 444.358 5.785 30 10 IKEE Cc1c(Cl)cccc1N/C(=N\C(=O)c1ccccc1F)NCCc1c[nH]c2ccccc12 32943308 AREDKDORRNZUNU-UHFFFAOYSA-N 448.929 5.709 30 10 IKEE C=CCC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)CC1CC1 36306584 GUZUNLQRNNRHDO-DEOSSOPVSA-N 445.607 5.727 30 10 IKEE C=CCNC(=O)N(Cc1ccc(F)cc1)c1cccc(CC(=O)Nc2cccc(C)c2)c1 37600367 XACJQBQRTRTHQU-UHFFFAOYSA-N 431.511 5.218 30 10 IKEE COc1ccc(/C(C)=C2\S/C(=N/c3cccc(C(=O)O)c3)N(c3ccccc3)C2=O)cc1 39866788 HFEKKWJNCVAUMB-QRPQPOARSA-N 444.512 5.592 30 10 IKEE CCCCc1ccc(NC(=O)c2oc3c(c2C)/C(=N/Nc2ccc(F)cc2)CCC3)cc1 40823809 XQDIMOOVWNXBNJ-JBASAIQMSA-N 433.527 6.475 30 10 IKEE Cc1c(C(=O)Nc2ccccc2Br)oc2c1/C(=N/Nc1ccccc1)CCC2 40824209 APUIAZRJBOXFSX-NLRVBDNBSA-N 438.325 5.755 30 10 IKEE Cc1ccc(Cl)cc1N/C=C1\C(=O)c2sccc2N(Cc2ccccc2)S1(=O)=O 103133433 KPCGRNADXADCIT-XDHOZWIPSA-N 444.965 5.196 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2cc(C)ccc2C)cc1 169924465 GXDQYKNPEKYJML-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@@H](c2cccc(OCc3cc(C)ccc3C)c2)NC(=S)N1 169938197 UYIYMCVYUHBKSI-RUZDIDTESA-N 442.584 5.558 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\Nc2nc(C)c(C(C)=O)s2)c(Cl)c1 169941904 WWHFJAWVOLCZNO-IWIPYMOSSA-N 436.021 6.883 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1ccc(O)cc1)c1ccc(Cl)cc1 169964141 LKTVICYOHDIXRN-FQEVSTJZSA-N 441.817 5.107 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2ccc(O)cc2)cc1 169964960 MRGPFYYHXIOEGI-DEOSSOPVSA-N 427.500 5.096 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccc(F)c(F)c2)c1 169968368 UTCUPJZIADDBQY-QHCPKHFHSA-N 445.421 5.802 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1 170066013 RQBTXBWDLJGIJE-DEOSSOPVSA-N 435.564 5.376 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2c[nH]c3ccccc23)cc1C 170074765 LQHHZXYHODGTGH-DEOSSOPVSA-N 438.483 5.273 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@@H]1c1ccccn1 170180999 YCQDAEWEHPKYHJ-QFIPXVFZSA-N 436.552 5.156 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccncc1 170203659 AUNJYEJCFRAKFK-NRFANRHFSA-N 448.906 5.143 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)cc(C)c3OC)[C@H]2c2ccccc2)cc1 170224265 JXSGYFFWYACJKL-XMMPIXPASA-N 441.527 5.657 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccccc2)cc1 170224647 FGHRSPAFDIGBKO-DEOSSOPVSA-N 443.499 5.210 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2F)cc1C 170249202 DUHGCTUMPOENAH-QHCPKHFHSA-N 431.463 5.316 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2ccco2)cc1 170281125 YSHNFPHZRGBVOP-QHCPKHFHSA-N 429.472 5.121 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccco1 170290095 KLPBMYXSPZGLDK-IBGZPJMESA-N 438.277 5.133 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(Cl)c(Cl)c2)c1 170380087 ZGCZVUOLOICQDL-LJQANCHMSA-N 444.339 6.146 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1c[nH]c2ccccc12)c1cccs1 170423275 UKERMPUIMRNULB-QFIPXVFZSA-N 446.503 5.190 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)cc(C)c2)cc1 170452642 OCGWHNCMYQTKQS-XMMPIXPASA-N 444.531 5.526 30 10 IKEE CCOc1cc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(C(C)C)cc2)ccc1O 170463688 QNMUSMAPRYJBCX-JOCHJYFZSA-N 437.536 5.430 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(Cc2ccc(C(=O)O)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 170468253 ZGFIKQROKUDZMP-NRFANRHFSA-N 449.547 5.193 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(N(C)C)cc2)[C@@H]1c1cccc(OC(C)C)c1 170474928 IRCHJBBGKZNDLX-XMMPIXPASA-N 436.552 5.055 30 10 IKEE CCCCCCCC[Si](C)(C)C(=C=C(OCC)n1nnc2ccccc21)c1ccccc1 195788297 HADCHOPOGUWPTP-UHFFFAOYSA-N 447.699 7.557 30 10 IKEE CCOc1ccc2ccccc2c1/C=C1\SC(=Nc2ccc(C(=O)O)cc2)N(C)C1=O 252602200 FGIRRACNEFJGLH-NGZUUMTHSA-N 432.501 5.171 30 10 IKEE Cc1ccccc1N=C1S/C(=C/C=C/c2ccc([N+](=O)[O-])o2)C(=O)N1c1ccccc1C 252626887 RHQRPBLOUIICFI-HDRSTDRBSA-N 445.500 6.169 30 10 IKEE Cc1ccccc1N=C1S/C(=C2/Sc3ccccc3N2C)C(=O)N1c1ccccc1 254393073 CMBZBZZQESHYBG-CSFSZXLXSA-N 429.570 6.174 30 10 IKEE CCCCCCOc1ccc(C(=NOC(=O)Nc2ccccc2)c2ccccc2)c(O)c1 254449922 IULLHUVNUOPKRZ-UHFFFAOYSA-N 432.520 6.352 30 10 IKEE Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]23C)cc1 254790407 KNJVWAVLNHNHKV-CQLWXYTASA-N 430.654 6.502 30 10 IKEE C=C(COCCC)[C@@H](NCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 407158333 XVOPGNDTWGFLKN-GOSISDBHSA-N 427.383 5.430 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)ccc1Br)NCC 407550927 AYJRIOBSNQKHGN-ZWKOTPCHSA-N 445.829 5.483 30 10 IKEE CSc1nc(O)c(C(=O)Nc2ccc(-c3ccc(Cl)cc3Cl)nc2)cc1C#N 476481170 KRIGCCXMJYJAEC-UHFFFAOYSA-N 431.304 5.002 30 10 IKEE C=CCc1cccc(C(C)C)c1NC(=O)c1cc(C(C)C)nc2c1c(O)nc(=O)n2CCC 476788871 CAIXEZGDVXLVNR-UHFFFAOYSA-N 448.567 5.135 30 10 IKEE FC(F)(F)c1ccc(-c2cncc(C(F)(F)F)c2-c2ccc(C(F)(F)F)cc2)cc1 514253983 PQDCPNHLVOKIJR-UHFFFAOYSA-N 435.289 7.472 30 10 IKEE COc1cc([C@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc(Cl)c1O 526607999 BRNZLTNWBWNADI-QFIPXVFZSA-N 446.890 5.292 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1c(O)ccc2ccccc12 526805722 QWKZAAUVTJYUAW-QQXSKIMKSA-N 430.577 5.962 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1ccc([N+](=O)[O-])cc1 526813810 AIAMMLXZCYGUPS-FBHDLOMBSA-N 436.324 5.230 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@](C)(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 698883596 CUFUUHKTVNQPSW-MBSDFSHPSA-N 449.617 5.557 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@H](C#N)CN(C(=O)OC(C)(C)C)C(C)(C)C 698940716 BGBFCQJBXQOJKI-GOSISDBHSA-N 435.540 5.495 30 10 IKEE CCCCCCCOc1ccc(C=Nc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 1084578490 HXEZFBGOUCWENT-UHFFFAOYSA-N 437.587 7.639 30 10 IKEE CC1(C)CC(=O)[C-]([C@H](C2=C(O)CC(C)(C)CC2=O)c2cc([N+](=O)[O-])ccc2Cl)C(=O)C1 1088689513 KSWGNCSAXBTBGE-IBGZPJMESA-N 446.907 5.066 30 10 IKEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1CCC[C@H]1CC 1538983130 NZIBDNBIVMQWII-BBWFWOEESA-N 445.405 5.000 30 10 IKEE CCOc1ccc(N=Nc2c(C)c(C#N)c(=O)n([C@@H](C)c3ccccc3)c2O)c([N+](=O)[O-])c1 1772741303 FBFKKSCSONZPPA-HNNXBMFYSA-N 447.451 5.066 30 10 IKEE N#Cc1ccc(COc2cccnc2NC(=O)CC(c2ccccc2)c2ccccc2)cc1 1858753711 OLMPOVJXDUTRON-UHFFFAOYSA-N 433.511 5.693 30 10 IKEE CCCCCCOc1ccc(NC(=O)C(=O)/C=C/c2ccccc2Br)cc1 1860726632 XOHCQUUPDJKDKK-XNTDXEJSSA-N 430.342 5.629 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2cccc(O)c2)cc1 1862389281 BXGJDABLILQFGV-VWLOTQADSA-N 447.575 6.036 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(OC)cc2)cc1 1862391930 LXPIETWDLZVLSP-DEOSSOPVSA-N 445.515 5.409 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1C 1862443785 SUIIPUFLSVAHJZ-QHCPKHFHSA-N 439.983 6.587 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCCCC2)c1 1862444880 JKKCCVWZLUMGOC-JOCHJYFZSA-N 439.939 5.650 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2cccc(O)c2)c1 1862489848 IRSPFMQNSWTLOR-RUZDIDTESA-N 441.527 5.220 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(C(F)(F)F)cc2)c1 1862494390 ACGLMMUWHLPFSG-NRFANRHFSA-N 443.465 5.843 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(Br)cc1 1862513195 ZFNKRGGVRMMMLW-DJJJIMSYSA-N 446.316 5.273 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccc(OC)cc2)cc1 1862535223 CCOKSGUMEVJSKF-CJAUYULYSA-N 441.527 5.597 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cc(Cl)cc(Cl)c2)cc1 1862538163 JDBIYROARIWNED-OAQYLSRUSA-N 444.358 6.077 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc(C)cc2)cc1OC 1862576493 VTRMOCBEGHSSEV-WSCWJOSJSA-N 449.547 5.169 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCC)cc1 1862645772 QHEIIESCGVCIKQ-JOCHJYFZSA-N 441.499 5.002 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccc(Cl)cc2Cl)cc1F 1862645839 ROLSOYWGSSERPT-SFHVURJKSA-N 438.282 5.128 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2Cc2ccccc2)cc1 1862649616 CFIVOQATISBSHK-HHHXNRCGSA-N 447.534 6.181 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(C)c2)cc1 1862674733 RYSJWBGARBHFAX-BVZFJXPGSA-N 443.518 6.036 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2cccc(C)c2)c1 1862698713 LQMZJNRHNFRWIS-XMMPIXPASA-N 427.500 5.091 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)c1 1862705991 KXPNDMKAFMEGIE-HXUWFJFHSA-N 448.346 5.626 30 10 IKEE Cc1ccc(C2=C(Nc3cccc4c(O)cccc34)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862897348 JQIUTDITHMKGIZ-UHFFFAOYSA-N 445.478 5.122 30 10 IKEE Cc1cc(C2=C(Nc3cccc4ccccc34)C(=O)N(c3ccc(C#N)cc3)C2=O)ccc1F 1863093503 QWIVOVUHZHCEOZ-UHFFFAOYSA-N 447.469 5.556 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC2CCCC2)=C(c2ccccc2Cl)C1=O 1863777965 RTSRQMWKPYZFFU-UHFFFAOYSA-N 431.020 6.093 30 10 IKEE N#Cc1c(NC(=O)Cc2c[nH]c3cccc(OCc4ccccc4)c23)sc2c1CCCC2 1866264515 BLPDDJJAEYWDKE-UHFFFAOYSA-N 441.556 5.740 30 10 IKEE COc1cc2c(cc1OC)[C@H](C(C)C)N(c1cc(Nc3cccc(C#N)c3)nc(C)n1)CC2 1868466818 FDOWTOCNYFBAEC-SANMLTNESA-N 443.551 5.177 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](CCCC)NC(=O)C[C@@H](c1ccccc1)c1cccc(F)c1 1868722713 CLYPAOSHDWROMT-LOSJGSFVSA-N 436.571 5.223 30 10 IKEE CCCCCCCCCCn1cc(C(=O)NCCCCc2ccccc2)c(O)cc1=O 1870115506 VDAQSTUIZCMESY-UHFFFAOYSA-N 426.601 5.447 30 10 IKEE Cc1cc(-n2nnc(C#N)c2NC(=O)[C@H](Cc2ccccc2)c2ccccc2)ccc1Cl 1870147832 JASOGZAJCJRCMC-OAQYLSRUSA-N 441.922 5.066 30 10 IKEE C=CCn1cc(OCCCOc2cccc(C)c2)c(=O)cc1CSCc1ccccc1 1870220447 BNSCDBSHMSJFBG-UHFFFAOYSA-N 435.589 5.624 30 10 IKEE CCCCCCCOc1cn(CCCC)c(CNc2ccc(CC)c([N+](=O)[O-])c2)cc1=O 1870830498 REAIZRFGSPDJSY-UHFFFAOYSA-N 443.588 6.080 30 10 IKEE CCCCCCCCn1cc(OCCCC)c(=O)cc1CNc1ccc(C(C)(C)C)cc1 1871110699 DEKMAAXDRGJLRI-UHFFFAOYSA-N 440.672 7.297 30 10 IKEE CCCCCCCCn1cc(OCCCCC)c(=O)cc1CNc1cc(Cl)ccc1C 1871130455 RNKTVVVUHJBJCH-UHFFFAOYSA-N 447.063 7.352 30 10 IKEE C=CCOc1cccc(C(=O)Nc2ccc3c(C)c(C(=O)c4ccc(OC)cc4)oc3c2)c1 1871358255 ISTMSIOIWBKFSA-UHFFFAOYSA-N 441.483 5.798 30 10 IKEE COc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(CCc3ccc(C)cc3)C4)C2=O)cc1 1871358689 ALYFRNOSAUESSP-QFEZKATASA-N 441.527 5.323 30 10 IKEE O=C(CCc1ccc(Cl)cc1)Oc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)C2=O 1871368820 PSBLGSXJFHVBFE-FMCGGJTJSA-N 448.858 5.223 30 10 IKEE CCOc1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccncc2)C3=O)cc1 1871379343 CJDISRDBYQYSMK-VJWOQVONSA-N 427.456 5.024 30 10 IKEE Cc1cccc(OCCCCOc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)c1 1871403683 USHUHCBYZKBJRX-XYGWBWBKSA-N 434.919 6.503 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OCCOc4ccc(C)cc4)c3C)C2=O)cc1OC 1871404736 DEHLBOZHKREUNR-XYGWBWBKSA-N 446.499 5.395 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCCCOc3ccc(C)cc3)cc(C)c2C1=O 1871407259 ZGLICXMZFMDSGF-ONUIUJJFSA-N 444.527 6.166 30 10 IKEE Cc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccccc1Cl)C2=O 1871410353 YUKIEMOQBVAGQJ-NQRZERFFSA-N 447.918 5.979 30 10 IKEE Cc1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)c1C 1871413898 QESRKVHUCPYMCK-UDSGTTHJSA-N 439.511 5.882 30 10 IKEE Cc1cc(OCC(=O)C(C)(C)C)cc2c1C(=O)/C(=C/c1ccc(-c3ccccc3)cc1)O2 1871419617 OYHSLIWZKKQLJZ-IWIPYMOSSA-N 426.512 6.272 30 10 IKEE CCCCCOC(=O)COc1ccc2c(c1C)O/C(=C\c1c(F)cccc1Cl)C2=O 1871427260 VSGFRBHUUKFIPZ-NDENLUEZSA-N 432.875 5.516 30 10 IKEE CCCCCCCCCOc1ccc2c(=O)c(Oc3ccccc3OCC)c(C)oc2c1 1871429371 DKUGRBCDPDHUEY-UHFFFAOYSA-N 438.564 7.422 30 10 IKEE CC(C)=C1Oc2c(ccc(OCC(=O)Nc3ccc(Nc4ccccc4)cc3)c2C)C1=O 1871431267 MAJMJIXIZBVCPM-UHFFFAOYSA-N 428.488 5.625 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccc(C)cc3Cl)ccc2C1=O 1871436099 MIADHMYJKDVPAS-FMCGGJTJSA-N 449.890 5.291 30 10 IKEE CCc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871454812 ZDVMOMLAWPYUBS-IWIPYMOSSA-N 427.500 5.500 30 10 IKEE CCCCCCCCCCN=c1nc(N(CC)CC)[nH]c(=Nc2ccc(C)cc2C)[nH]1 1871605557 SMVIPMBZLGVLMC-UHFFFAOYSA-N 426.653 5.475 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1872088962 BVMZXYGQKNGSEF-DEOSSOPVSA-N 442.625 5.240 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cccc(C(C)(C)C)c1)c1ccccc1)S(=O)(=O)C1CC1 1872228966 PMKSWRKLMLNDIB-HSZRJFAPSA-N 440.609 5.034 30 10 IKEE COc1ccc(OC)c(CC(=O)[C@@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)c1 1872760190 IWIPLYJLHDHFHR-OAQYLSRUSA-N 428.513 5.399 30 10 IKEE COc1ccc(Cl)cc1C(=O)[C@@H](C#N)c1nc(-c2cccc(Br)c2)cs1 1872763649 RARXXJSQZRYAHI-OAHLLOKOSA-N 447.741 5.725 30 10 IKEE N#C[C@H](C(=O)c1ccccc1C(=O)c1ccccc1)c1nc(-c2ccc(F)cc2F)cs1 1872766410 GJBOKUCZJUZKCO-HXUWFJFHSA-N 444.462 5.809 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(C(C)(C)C)cc3)n2)cc1 1872768672 ZDACGXGZDOZMJT-BODNZJIQSA-N 430.573 6.396 30 10 IKEE N#C[C@H](C(=O)c1cc(Cl)ccc1Cl)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872773812 YTMYCYJHIGLLOJ-CQSZACIVSA-N 431.300 5.378 30 10 IKEE CCc1cccc(CC)c1N1C[C@@H](C(=O)[C@H](C#N)c2nc(-c3cccs3)cs2)CC1=O 1872774399 PUTJOCBIRGHOHD-ROUUACIJSA-N 449.601 5.226 30 10 IKEE CC(C)c1ccccc1O[C@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(F)c(F)c2)cs1 1872779387 IRRCHRRQSWJBHU-PBHICJAKSA-N 426.488 5.855 30 10 IKEE COc1c(Cl)cc(-c2csc([C@@H](C#N)C(=O)CCOc3ccccc3)n2)cc1Cl 1872785412 MIXMPKIIXYEUCP-HNNXBMFYSA-N 447.343 5.771 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@H](C#N)C(=O)/C=C/c2ccccc2Cl)n1 1872788469 JAECUMFKCABZOK-IQIBNGDESA-N 429.328 6.015 30 10 IKEE C=CCNC1=C(c2cccc(Cl)c2Cl)C(=O)N(CCCCCCCCCC)C1=O 1873127370 LTHACBHADBPUSB-UHFFFAOYSA-N 437.411 5.990 30 10 IKEE N#Cc1nc(-c2ccc(Br)o2)oc1N/N=C/c1ccc(Cl)cc1Cl 1873461898 CZUFBIPWKFMWDD-IFRROFPPSA-N 426.057 5.322 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(Cl)c(C)c1)n2CC 1873619976 PZEJOGZIXRQDFD-UHFFFAOYSA-N 442.007 6.438 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccccc1C)n2CCOC 1873621609 ZGHNVBCZOQTHSA-UHFFFAOYSA-N 437.588 5.411 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccccc3Cl)n2/N=C/c2ccncc2)cc1 1874265964 YXRCDFVPQFQDRI-VULFUBBASA-N 449.967 5.388 30 10 IKEE CCCSc1nnc(COc2ccccc2Cl)n1/N=C/c1c[nH]c2ccccc12 1874269332 QPXSFSKJYMLRLE-ZMOGYAJESA-N 425.945 5.376 30 10 IKEE CC(C)(C)c1ccc(/C=N/n2c(Cc3ccc(Cl)cc3)nnc2SCCCO)cc1 1874343316 KWLBROOKXJQLSJ-PCLIKHOPSA-N 443.016 5.177 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3C)n2/N=C/c2cccs2)c1 1874361466 LQYJYVLPXISUNJ-PCLIKHOPSA-N 432.618 5.916 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874389413 VVMRRTMTIYFHAB-LGJNPRDNSA-N 430.499 5.747 30 10 IKEE Cc1cccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccc(F)cc2)c1 1874399065 XRPZXQMFRYTPMV-WPWMEQJKSA-N 430.552 5.685 30 10 IKEE Cc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2cc(C)ccc2C)cc1 1874408182 KLHBNTHRUWPFJX-WPWMEQJKSA-N 432.637 6.501 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccccc2)n1/N=C/c1ccc(C(=O)O)cc1 1874416145 APFIFVNUOJTWEN-WGOQTCKBSA-N 442.544 5.050 30 10 IKEE COc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2ccccc2Cl)cc1O 1874489670 DWYODYNOKAEUPC-FSJBWODESA-N 430.961 5.019 30 10 IKEE CCOc1cccc(/C=N/n2c(CC(C)C)nnc2SCc2ccccc2Cl)c1 1874489690 FWZVBFNUSPQJPR-ZVHZXABRSA-N 428.989 5.703 30 10 IKEE Oc1ccc(Br)cc1/C=N/n1c(SCc2ccccc2)nnc1C1CCC1 1874495698 ZWUWOEQXOSLHOY-WSDLNYQXSA-N 443.370 5.188 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 1874589242 BBCINFRPJOLRKS-FMIVXFBMSA-N 437.879 6.040 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1OCc1cccc(F)c1 1874593749 ZTFDABPZQUSDLW-WEVVVXLNSA-N 431.290 6.616 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OCC(=O)Nc1c(C)cccc1C 1874598086 TVKAPWWSWQNFGM-NTUHNPAUSA-N 433.479 5.365 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1cccc(OCc2cccc3ccccc23)c1 1874600425 LRGSBHLBGJDMBU-BUHFOSPRSA-N 442.942 7.285 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(CC)cc3)cc2OCC)o1 1874604727 BXDYUACWTPZIHP-NTEUORMPSA-N 448.515 5.893 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(Cl)c1OCc1cccc(C)c1 1874609271 HYICPODLIDQAEM-MDWZMJQESA-N 436.935 6.531 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OCc1ccccc1F 1874618660 MIPQZUBMFAROCY-BUHFOSPRSA-N 430.519 6.655 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OCc1cccc(F)c1 1874627372 PROPCLDUURGKCI-PKNBQFBNSA-N 448.534 6.750 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)cc(OC)c1OCC(=C)C 1874628413 BXSAAUSRHBDECZ-CMDGGOBGSA-N 447.358 6.590 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc(Cl)c1OCc1ccccc1 1874629501 GKCKLEDQXOKPDQ-ZHACJKMWSA-N 436.935 6.449 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)ccc1OCc1cccc(C)c1 1874639703 LFXLNFDTIUVUAF-FMIVXFBMSA-N 448.515 5.505 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1 1874669637 JTZJBAPEBXFRKA-SANMLTNESA-N 447.623 5.766 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)c2)c1 1874693532 JUWVVNHDEBFECJ-JLHYYAGUSA-N 442.511 5.698 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccccc3Cl)c2)cc1 1874695832 USEQZUPCPNIXGG-FOWTUZBSSA-N 448.946 6.807 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3[nH]c4ccc(C)cc4c3C)c2)cc1 1874697667 JXHJMSPQVCDUAO-RIYZIHGNSA-N 425.484 5.909 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3C)c([N+](=O)[O-])c2)cc1OC 1875099486 KVJOLUWXIRQQEP-DHZHZOJOSA-N 447.443 5.036 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3ccc(C)cc3)c(OC)c2)cc1 1875100266 WMBNZZSLRZAELE-XNTDXEJSSA-N 430.500 5.690 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-])c1cccs1 1875105233 KDZGIVIBXIHAHB-XVNBXDOJSA-N 448.283 6.078 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1)c1ccc(Br)cc1 1875108819 IGHZKBZCBOSCTG-AWNIVKPZSA-N 441.708 6.218 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)[C@@H]3CCCO3)c(OCC)c2)cc1 1875130548 VNANCKZTCKTYGT-SQEWALACSA-N 444.911 5.118 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccs2)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 1875135361 MLCYYKVRCUVTKN-XVNBXDOJSA-N 448.283 6.078 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)Cc1ccccc1F 1875142226 QNVHVOXTJIIFQX-XYOKQWHBSA-N 436.454 5.716 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OC(=O)Cc1cc(C)ccc1C 1875163513 ONJHBPSKXZZWAX-UXBLZVDNSA-N 436.454 5.634 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(C)cc3C)cc2)c(C)c1C 1875168224 YAEMJKJJQJIKHU-UKTHLTGXSA-N 444.527 5.809 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)cc1C 1875176076 VNPNXWPHYBWXJF-UXBLZVDNSA-N 446.415 5.235 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3)c([N+](=O)[O-])c2)c(C)c1 1875183351 WPYFNWRRFVSOJU-FMIVXFBMSA-N 443.499 5.954 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc(Cl)c1OC(=O)C(C)C 1875191561 SCHAULBHHQYAGD-QPJJXVBHSA-N 427.711 6.113 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(Cl)ccc3Cl)cc2)c1 1875191657 XPNGGEYXSSPIRS-BJMVGYQFSA-N 425.311 6.726 30 10 IKEE C=C(COCCC)[C@@H](N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875653420 XUSNBEGNUSNBBG-VSGBNLITSA-N 447.575 5.188 30 10 IKEE CC1(C)OCC[C@@]1(C#N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875690321 SRJNDPMVCPQNGW-XTEPFMGCSA-N 443.543 5.587 30 10 IKEE O=C(NCC#CCN1CCCCCC1)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 1891045239 PYCWGTIQSMQYKH-UHFFFAOYSA-N 430.470 5.107 30 10 IKEE O=C(Nc1cccc(-c2ccc(C(F)(F)F)cc2)c1)Nc1ccc(F)c(C(F)(F)F)c1 1892415317 LGXUCSLRNABKAK-UHFFFAOYSA-N 442.334 7.174 30 10 IKEE C=CCC1(Oc2cc(Cl)c(Br)cc2N)CCN(C(=O)OC(C)(C)C)CC1 1903060653 XUJYTQNHWATTJR-UHFFFAOYSA-N 445.785 5.409 30 10 IKEE CN(C[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C(C)(C)C)C(=O)OC(C)(C)C 1912195053 XGJPFURFIKAHQH-OAQYLSRUSA-N 438.573 5.099 30 10 IKEE CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 1944858073 BKQCGHVVJJPCTG-HOYKHHGWSA-N 435.609 5.486 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)[C@@H]2CCCC[C@H]21 2009369362 KWXRZAHBWONGEQ-IECBHUPTSA-N 433.593 5.238 30 10 IKEE CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)C=Cc1ccc(C#N)cc1 2042446859 CBNZGKSQTBBWJR-UHFFFAOYSA-N 432.545 5.269 30 10 IKEE CC1(C)OB(c2ccc3c(c2)-c2ccccc2[C@]3(c2ccccc2)c2cccnc2)OC1(C)C 2049211981 WEFTXMZVRVHITN-PMERELPUSA-N 445.371 5.744 30 10 IKEE CC1([C@H](c2ccc(C(F)(F)F)cc2F)n2nc(C(F)(F)F)c(C=O)c2Cl)CC1 2079971041 AVKVUDUILLRPCG-ZDUSSCGKSA-N 428.735 5.915 30 10 IKEE CC(C)(C)OC(=O)N(C[C@H]1CCCO1)[C@H](C#N)c1ccc(Cl)c(Br)c1F 2097606922 HPNSSPOXCRSWAB-BXUZGUMPSA-N 447.732 5.222 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(C)sc(C)c1Br 2102882113 JEHOHAHXAMJCNV-YJBOKZPZSA-N 443.451 5.475 30 10 IKEE CCN[C@H](CC#CC(C)(C)C)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134731030 SCFGPKHCRJEEGU-HHHXNRCGSA-N 441.615 6.935 30 10 IKEE CCCC#CC[C@H](NCCC)c1ccc(I)c(Br)c1 2138963573 NBZHUMUGEWQMGB-INIZCTEOSA-N 434.159 5.288 30 10 IKEE CCCCCCC[C@@H](NCC)[C@@H](O)c1cc(Br)c(Br)s1 2148579769 TVXCUTPALWXGML-TZMCWYRMSA-N 427.246 5.645 30 10 IKEE C=CCC1(Nc2cc(Br)ccc2[N+](=O)[O-])CCN(C(=O)OC(C)(C)C)CC1 2162328757 OVHBMJLHFIOAOZ-UHFFFAOYSA-N 440.338 5.115 30 10 IKEE CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)c(Br)c2)C2(CCCCC2)C1 2174807685 FLZNELXKTLMNSF-UHFFFAOYSA-N 434.378 5.081 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2cccc(Br)c2C#N)c2ccccc21 2174811601 ZUEVCTVSFGGELS-QGZVFWFLSA-N 428.330 5.428 30 10 IKEE CN(C(=O)OC(C)(C)C)C1CCC(N(C)c2cc(Br)cc(F)c2C#N)CC1 2174813898 BEUVCTRMEFOOPU-UHFFFAOYSA-N 440.357 5.074 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCC)c2ccc(Br)c(F)c2F)C1 2183007670 FXWQRLAOYLDXME-KRWDZBQOSA-N 445.348 5.239 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(Nc2ccccc2Br)C[C@@H]1C1CCC1 2194187595 LOIDPBMGNMPJMG-NQIIRXRSSA-N 434.378 5.323 30 10 IKEE CN[C@H](C#Cc1ccccc1Br)C[C@@H](CC(C)(C)C)NC(=O)OC(C)(C)C 2235731838 XSVSIKXVKQYSPC-MSOLQXFVSA-N 437.422 5.108 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@H](C#N)c1c(F)ccc(Br)c1F 2239743407 LYEYNJNYDKVBDK-MRXNPFEDSA-N 443.332 6.252 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Cl)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 2245950529 KJNVXGJKEQDNTE-QFIPXVFZSA-N 426.988 5.497 30 10 IKEE C=C(CC)C[C@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2262930788 NZOSBNOGQQLAIL-MHZLTWQESA-N 431.576 6.217 30 10 IKEE C=CCCC1([C@@H](O)c2c(Br)ccc(Cl)c2F)CN(C(=O)OC(C)(C)C)C1 2266237072 WSMUGZRLFYLIER-INIZCTEOSA-N 448.760 5.478 30 10 IKEE CN[C@H](C#CC1CCCCC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2273905402 JGUXQSHNBKYUEX-MUUNZHRXSA-N 439.599 6.689 30 10 IKEE C=CCC[C@@H](OCCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2275592462 KKWNVJZUJWKVIJ-RUZDIDTESA-N 446.543 6.343 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H](CCC)N(C)C(=O)OC(C)(C)C 2296220103 VBNMBBVUVSZCTN-WOJBJXKFSA-N 437.422 5.204 30 10 IKEE CCCCOc1ccc(C(=O)C(=Cc2cccc([N+](=O)[O-])c2)c2nc3ccccc3o2)cc1 2296696653 GZDPBPIDRXYYQE-UHFFFAOYSA-N 442.471 6.338 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1c(Cl)cccc1Cl)C2=O)c1ccccc1 2314438239 MFKKKTXWPFBKOV-UHFFFAOYSA-N 425.267 5.871 30 10 IKEE CCN1C(=O)C(=Cc2ccc(-c3cccc(Cl)c3)o2)SC1=Nc1cccnc1Cl 2314540020 HCALKWMLEUWABF-UHFFFAOYSA-N 444.343 6.272 30 10 IKEE N#Cc1ccc(Oc2cc(Br)cc(I)c2)cc1Cl 2316689265 XMYGDXULKHHUFH-UHFFFAOYSA-N 434.458 5.371 30 10 IKEE Cc1c(OCc2cccc(Cl)c2)ccc2c1OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2321766605 GIWNQDHRWAZZQR-UHFFFAOYSA-N 432.947 7.141 30 10 IKEE O=C1C(=Cc2cccc(Br)c2)Oc2c1ccc1c2CN(Cc2ccccc2)CO1 2321978776 UBSZQWHDBMTHOF-UHFFFAOYSA-N 448.316 5.417 30 10 IKEE Cc1ccc(CCN2COc3c(cc4c(c3C)OC(=Cc3cccc(F)c3)C4=O)C2)cc1 2322433344 ALLGOMDPDMDETP-UHFFFAOYSA-N 429.491 5.453 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccccc2OCc2c(Cl)cccc2Cl)c1 2322659467 XJIFSFHYIQNOPK-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE CCCOC(=O)COc1c(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)cc1OC 2322685619 UBOOWXPZCALVHS-UHFFFAOYSA-N 444.955 5.874 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2ccccc2OCc2cccc(Cl)c2)cc1Cl 2322880899 UGDKSMROCAHIDY-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cccc(OCc2c(Cl)cccc2Cl)c1 2323260320 SWMBDWPLSHSSAZ-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE O=C(Cc1cc(Cl)ccc1Cl)Oc1ccc2c(c1)OC(=Cc1ccccn1)C2=O 2323404465 OIGKOWXBEQINOH-UHFFFAOYSA-N 426.255 5.153 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(OC)c(OC)c3)cc2)cc1 2323438221 HAGMBFKHYCSCJE-UHFFFAOYSA-N 445.515 5.180 30 10 IKEE CCOc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2C)C3=O)cc1 2323511558 QPCRKEXZYHTZBX-UHFFFAOYSA-N 426.468 5.629 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OCc2cccc3ccccc23)c(Cl)c1 2323992461 SQDGHINFDKULDO-UHFFFAOYSA-N 442.942 7.285 30 10 IKEE O=C1C(=Cc2cccs2)Oc2c1ccc(O)c2CN(C1CCCCC1)C1CCCCC1 2324041923 FVXOYZNYFIAZED-UHFFFAOYSA-N 437.605 6.537 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(OC)c1OCc1cccc(F)c1 2324172945 TWGAFNRBWBVTPK-UHFFFAOYSA-N 444.546 7.161 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc(Br)c1OCC 2324380872 CECMVCLDOJSQER-UHFFFAOYSA-N 433.342 5.768 30 10 IKEE Cc1ccsc1C=C1Oc2cc(O[C@H](C)C(=O)Nc3ccccc3Cl)ccc2C1=O 2324388979 UEDOLHXJJMORIG-CQSZACIVSA-N 439.920 5.732 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCc3c(F)cccc3Cl)c(Cl)c2)cc1C 2324441958 YCDRPYTZSPLTES-UHFFFAOYSA-N 429.318 7.224 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OCCOc3ccc(C(C)(C)C)cc3)cc(C)c2C1=O 2324691218 UAIORCCJVBSINF-UHFFFAOYSA-N 448.584 6.736 30 10 IKEE CCc1ccc(NC(=O)[C@@H](CC)Oc2ccc3c(c2)OC(=Cc2ccccc2C)C3=O)cc1 2324816802 CWAUVQRSOHJFKQ-XMMPIXPASA-N 441.527 5.970 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccc(C)cc1)C2=O 2325008784 XESCLJOHZKGOAV-UHFFFAOYSA-N 441.527 5.808 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1cccc(OC)c1OC 2325532695 OVJKRYIVXJDITG-UHFFFAOYSA-N 444.988 5.466 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(OC(=O)C(C)C)c(OC)cc2Br)cc1 2325734306 FDLXQKJBYRCIHX-UHFFFAOYSA-N 447.325 5.314 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 2325743517 TXTVEBHXGMADAM-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE COc1ccc(C=CC(=O)c2cccc3ccccc23)cc1OC(=O)c1ccccc1OC 2325749304 KWBUFBRKYFMGOK-UHFFFAOYSA-N 438.479 5.972 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)c2cccs2)c1 2325756144 IPIWXZFESVRSKY-UHFFFAOYSA-N 433.312 6.179 30 10 IKEE Oc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2)cc1Cl 2326231895 JXHISJPNKQBPSO-UHFFFAOYSA-N 434.952 5.402 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1N=Cc1ccccc1OCC(C)C 2326272658 NVVYFNCWCSRTNU-UHFFFAOYSA-N 440.588 5.969 30 10 IKEE CCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1ccc(OC)c(OC)c1Cl 2326406807 WYJXWQMEGFSXBX-UHFFFAOYSA-N 444.988 5.302 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccc(O)cc1 2326525023 YETQNLRCMICYDP-UHFFFAOYSA-N 428.945 5.075 30 10 IKEE CCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc(Br)cc1 2328051434 FCVBDRVDOFVMKI-UHFFFAOYSA-N 449.805 5.473 30 10 IKEE COc1cccc(CCc2nnc(SCc3cccc(C)c3)n2N=Cc2ccco2)c1 2328612172 JZGIQFQQHVMFDM-UHFFFAOYSA-N 432.549 5.148 30 10 IKEE CCSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1ccc(Cl)cc1Cl 2328792555 WOLGBSSMMCKBNU-UHFFFAOYSA-N 435.380 5.775 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2N=Cc2cccc(F)c2)cc1 2329382852 CSGPKEBNGBIQAK-UHFFFAOYSA-N 444.579 6.108 30 10 IKEE C=C(C)CSc1nnc(Cc2ccccc2F)n1N=Cc1ccc(Cl)c(Cl)c1 2329741015 HQAZUCBKHPFHPN-UHFFFAOYSA-N 435.355 5.865 30 10 IKEE CN(C)c1ccc(C=Nn2c(Cc3ccccc3F)nnc2SCc2ccccc2)cc1 2329741325 JENDNSGSHZIXAM-UHFFFAOYSA-N 445.567 5.249 30 10 IKEE CCc1ccc(C=Nn2c(COc3ccccc3)nnc2SCc2ccccc2)cc1 2329918626 SFMDWVBADCYGGJ-UHFFFAOYSA-N 428.561 5.594 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2N=Cc2cccc(F)c2)cc1 2329941785 FKLCTNYJNVFKCV-UHFFFAOYSA-N 434.515 5.630 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccs2)c([N+](=O)[O-])c1)c1ccc2ccccc2c1 2330665022 COXTZYQFUKEXCB-UHFFFAOYSA-N 429.453 5.925 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3ccccc3)c(OC)c2)cc1 2330826039 GSGLSXFYQLYQDD-UHFFFAOYSA-N 444.527 6.162 30 10 IKEE O=C(COc1ccc(Cl)cc1)Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1 2330910704 NLVPGLIAMJLTSQ-UHFFFAOYSA-N 427.283 5.874 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(Br)c2)ccc1OC(=O)C(F)(F)F 2331005387 IEBLLCXSXGSJNN-UHFFFAOYSA-N 443.215 5.212 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)c1cncc(C)c1 2331084278 OBIXUTZGENERQG-UHFFFAOYSA-N 443.833 5.446 30 10 IKEE FC(F)(F)c1nnc(SCc2cccc(Cl)c2)n1N=Cc1cccc(Cl)c1 2331154822 LPKNTMOICDZFPN-UHFFFAOYSA-N 431.270 5.778 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)COc1cccc(C)c1C 2331281842 XUKHWERWYHSQCC-UHFFFAOYSA-N 444.527 5.891 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1 2331295626 KEFKRSLIPABSIV-UHFFFAOYSA-N 444.571 6.493 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(Br)c(OC(=O)CC)c(OC)c2)cc1 2331308033 GMYWJVDAROXNAA-UHFFFAOYSA-N 447.325 5.458 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)[C@H]2C[C@H]2c2ccccc2Cl)cc1 2331352357 MOQDUNBQEIESDO-VXKWHMMOSA-N 446.930 6.262 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cc(Cl)c(OC(=O)CC(C)(C)C)c(OC)c2)c1 2331377534 IEZOHPJMSFCTCI-UHFFFAOYSA-N 446.927 5.604 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCCO4)cc2)cc1C 2331396941 PTYMGKYBTZASMC-UHFFFAOYSA-N 428.484 5.119 30 10 IKEE Cc1cncc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2Cl)c1 2331415970 CETAGBBYYAZWIW-UHFFFAOYSA-N 433.935 6.456 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2)c(C(C)(C)C)c1 2331512529 CVJRCIPWDNYWMR-UHFFFAOYSA-N 446.518 6.312 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1)c1ccc(F)cc1 2331530109 ABZWEMLROVQVOC-UHFFFAOYSA-N 449.478 5.752 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C(F)(F)F)c(Cl)c1)c1ccc(Oc2ccccc2)cc1 2331594879 MOPLPPFBWDWQSH-UHFFFAOYSA-N 446.808 6.496 30 10 IKEE CCC(=O)Oc1c(Cl)cc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)cc1OC 2331632623 UREUGQWPDYYFMV-UHFFFAOYSA-N 443.710 5.876 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)CCOc2ccccc2)cc1 2331787022 XNHZOABVDCIKAY-UHFFFAOYSA-N 442.555 6.563 30 10 IKEE Cc1cc(I)c(Oc2ccc(C#N)cc2Br)cc1Cl 2336544308 SYTIFXDYPCZUNH-UHFFFAOYSA-N 448.485 5.680 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1OCc1sc(Cl)cc1Br 2345908263 IWYROCFYEDUFGR-UHFFFAOYSA-N 443.599 5.351 30 10 IKEE CCCCCCCCCC[C@H](NC)c1sc(Cl)cc1I 2363912707 ILYDLLFZOZINQD-AWEZNQCLSA-N 427.823 6.797 30 10 IKEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1)c1ccccc1Cl 2377295409 JKTCCEQSLOGXEL-UHFFFAOYSA-N 436.586 5.038 30 10 IKEE COc1ccccc1N/C(=N/c1nnc(C)s1)N1N=C(C)S[C@H]1c1ccc(C)cc1 8448151 TUYCFXVQUHBXOR-IBGZPJMESA-N 438.582 5.344 30 10 IKEE C=CCN(C(=O)Cn1c(SCc2cccc(C)c2)nc2ccncc21)c1ccccc1 8913004 YROMJWWVTPYXLJ-UHFFFAOYSA-N 428.561 5.251 30 10 IKEE CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=N/Nc1nc(-c2ccccc2)cs1 12275795 KRPWDMUWVQMGNG-NCELDCMTSA-N 444.545 5.124 30 10 IKEE CCCN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)S/C1=N\c1ccccc1 17097953 CZQLAKQHNHBYLF-LPCFMYKTSA-N 432.501 5.659 30 10 IKEE COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(OC)c(O)c2)c1 21226368 SKQXGXBLKZHGEP-XRHLQHRESA-N 442.515 5.389 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc3ccccc23)s1 35567717 NWAJVFIIOKKAJT-OAQYLSRUSA-N 444.512 5.285 30 10 IKEE O=C(/C=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(NC(=O)c2ccccc2)cc1 35568726 BPEVUZCHZWGFJL-PEZBUJJGSA-N 438.439 6.003 30 10 IKEE O=C1/C(=C/c2ccncc2)S/C(=N/c2nc(-c3ccccc3)cs2)N1c1ccccc1 39865997 CMVPMBIYVYZCAH-AGEIGWASSA-N 440.553 6.014 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4cccc(C)c4)cc(C)c3C2=O)c(OC)c1 41355203 IFBNUWYJMONUDK-FMCGGJTJSA-N 430.456 5.156 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccccc3Oc3ccccc3)ccc21 49507317 URMFGFQNLLZTSD-UHFFFAOYSA-N 442.515 5.669 30 10 IKEE CCCn1c2ccccc2c2nnc(N/N=C/c3ccc(OCCC(C)C)c(OC)c3)nc21 64981615 HWXCQYKADNUZRI-WGOQTCKBSA-N 446.555 5.269 30 10 IKEE C=CCc1cc(/C=C2/SC(=S)N(C)C2=O)cc(OC)c1OCc1ccccc1Cl 102468130 WRKVUOFJFUXZBX-XDHOZWIPSA-N 445.993 5.487 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)/C(=C(\O)c4ccc(F)cc4)[C@H]3c3ccco3)sc2c1 103107063 FULXJBHGTYQXPN-GOBJLOIFSA-N 448.475 5.217 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccc(O)cc2)cc1 169958858 OUJJLQPSNBDOMS-DEOSSOPVSA-N 427.500 5.354 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccnc2)c1 170012650 HTOZIJYZVQUKKL-DEOSSOPVSA-N 438.483 5.223 30 10 IKEE NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1c1cc(Cl)cc(Cl)c1 170179799 WIQSTPUPQLWDPL-UHFFFAOYSA-N 436.751 5.487 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@@H]2c2cccnc2)c1 170185844 QARJBBFETGZQBV-XMMPIXPASA-N 442.515 5.216 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccccc2)cc1 170227269 DLNFGMHZRMKFRN-OSPHWJPCSA-N 425.484 5.101 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2)ccc1Cl 170233868 JMGYZGKIMXLMFL-NRFANRHFSA-N 425.912 5.260 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@H]1c1ccc(Cl)cc1 170236284 KPAHRRIRLYUGPC-JOCHJYFZSA-N 441.955 5.850 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2F)ccc1F 170246907 CWGAAINDMGQBNX-FQEVSTJZSA-N 425.456 5.113 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccc(O)c2)cc1 170258191 LNMYBQRKQZLPSI-QHCPKHFHSA-N 447.462 5.103 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@@H]1c1ccc(CC)cc1 170268369 ITFCQDRINCSPLG-DEOSSOPVSA-N 435.564 5.725 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCCC)[C@@H]2c2ccccc2C)cc1 170277432 MHTLRMYCZBQPFP-RUZDIDTESA-N 449.591 6.333 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccco2)cc1C(C)C 170285937 RKPHNUYJLHTTDZ-XMMPIXPASA-N 445.515 5.811 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@@H]1c1ccc(C)o1 170309810 PIBIPVYHPYEUEU-QFIPXVFZSA-N 439.552 5.663 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(OC)cc(OC)c2)cc1 170390111 VTWAVZUJKULJAX-JOCHJYFZSA-N 449.528 5.111 30 10 IKEE CCOC(=O)C1=C(Nc2cccc(C(F)(F)F)c2)S/C(=C\c2ccc(O)c(C)c2)C1=O 206879295 XYIGBPIBSYGOAJ-YVLHZVERSA-N 449.450 5.263 30 10 IKEE C=CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cc(Cl)ccc1C 252628283 SMPFGNYZGGTKIK-HXUWFJFHSA-N 441.984 5.412 30 10 IKEE CCc1ccc(OCCCOc2ccc(C=NNc3ccc([N+](=O)[O-])cc3)cc2OC)cc1 254313938 VSDVDXYKQGAFGG-UHFFFAOYSA-N 449.507 5.460 30 10 IKEE C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C/c1ccnn1C1CCCC1)C2=O 254349795 NDZYXAXWOZOQAQ-KUHQQKMESA-N 434.624 5.884 30 10 IKEE CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1C=Nc1ccc(N2CCOCC2)cc1 254402926 MHTNWCADCODRQN-UHFFFAOYSA-N 438.572 5.300 30 10 IKEE CCN1/C(=C2/SC(=Nc3ccccc3)N(C3CCCCC3)C2=O)Sc2ccccc21 254446895 OKJDGXVIQVUENO-SEYIQKDNSA-N 435.618 6.384 30 10 IKEE CCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1ccccc1COc1ccccc1 526801683 ZJUCXXWOMBRQKB-YUMHPJSZSA-N 446.551 5.733 30 10 IKEE CCCOc1c(Cl)cc(/C=N\n2cnnc2SCc2cccc(C)c2)cc1Cl 526809125 YLBRRXSTGSIYIF-MYKKPKGFSA-N 435.380 5.857 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N(C(=O)/C=C/c2ccc(F)cc2)C2CCNCC2)c1 585836491 UEKCCTKSCDVFLC-JLHYYAGUSA-N 449.570 5.098 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C1 698868684 JTRBRZYUGYYETF-WAIKUNEKSA-N 433.524 5.106 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@H](C#N)c1csc(Br)c1 698890003 FWENXVJMPJJVED-CQSZACIVSA-N 427.751 6.170 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)C1 699664535 ZAYYSAPPSGGOFR-MZNJEOGPSA-N 447.551 5.497 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@]1(C#N)CCc2c(Br)cccc21 710810835 CNHSZLJQONEZQB-NRFANRHFSA-N 431.305 5.695 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccc(I)cc1 829348691 VMORMDAKXVETJN-SFHVURJKSA-N 448.304 5.606 30 10 IKEE N#Cc1nc(N2CCCCC2)c(NCc2ccccc2)c2c1CCN(C1CCCCC1)C2 1084212199 KABBWBHLQNSHGO-UHFFFAOYSA-N 429.612 5.246 30 10 IKEE C=CCOC(=O)/C=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(OC)c1 1084443783 WLEPJCWSKGTSBU-TWGQIWQCSA-N 437.717 5.433 30 10 IKEE COc1cc(/C=C2\SC(=Nc3ccncc3Cl)N(C3CCCCC3)C2=O)ccc1O 1772735776 IFYTXGTVERBPLD-RKQNKVCSSA-N 443.956 5.386 30 10 IKEE COc1ccc(-c2nn(-c3ccccc3)cc2/C=N\NC(=S)Nc2cccc(F)c2)cc1 1857811304 NPRSQJSLINFNFL-YSMPRRRNSA-N 445.523 5.008 30 10 IKEE N#Cc1ccccc1NC(=O)c1nn(Cc2ccccc2)c(-c2ccc(F)cc2)c1Cl 1859384588 LUTQEQQXBSRFAX-UHFFFAOYSA-N 430.870 5.515 30 10 IKEE CCCCCCCOc1ccc(NC(=O)c2ccc(I)cc2)cc1 1860154241 QXWCMZUNCFIYIV-UHFFFAOYSA-N 437.321 5.893 30 10 IKEE N#Cc1cccc(C(=O)Oc2ccc(C3CCN(C(=O)c4ccccc4Cl)CC3)cc2)c1 1860694409 AUBBMBFVDOJZIV-UHFFFAOYSA-N 444.918 5.451 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)c1ccc(OCC(C)C)cc1 1861769039 FBOBVDWCHZAIHR-XMMPIXPASA-N 430.633 5.583 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccccc2C)cc1 1862389382 DUFGIESQJZJBSU-OLLUBJOZSA-N 445.603 6.495 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2ccc(N(C)C)cc2)cc1 1862394144 CIDJFEJHEZTUNU-HOYKHHGWSA-N 434.580 5.472 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2ccccc2C(=O)O)cc1 1862394226 DJMJZXGHPKESJT-AOMKIAJQSA-N 435.520 5.104 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@@H]1c1ccc(O)cc1)c1ccccc1Cl 1862431068 YYTKZPVCQKFEFY-JOCHJYFZSA-N 439.939 5.737 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(Cl)cc2)[C@H]1c1ccccc1)c1cccc(Cl)c1 1862441298 DYOZNLSHAYYHHM-NRFANRHFSA-N 438.310 5.772 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(O)c1 1862443760 SIICBARSMJBTSX-JOCHJYFZSA-N 441.955 5.984 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2c(F)cc(F)cc2F)=C(O)C(=O)N1Cc1ccccc1 1862455944 GRADOJUTHARJAU-JOCHJYFZSA-N 437.417 5.191 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)cc1 1862478632 MTASVASBSCUYRJ-IHLLOCCUSA-N 433.548 5.551 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(CC)cc1 1862615930 NHSYHUNFISAURA-DEOSSOPVSA-N 449.591 5.551 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2cccc(C)c2)cc1F 1862638902 MVHJODJQGIDBHC-OSPHWJPCSA-N 445.490 5.482 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2F)cc1 1862661713 FYFRYBNHKQUQRH-XMMPIXPASA-N 429.491 5.728 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(O)cc1 1862674296 LQOFMBHAWXIDHY-QFIPXVFZSA-N 425.500 5.470 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccc(F)cc2)c1 1862676655 OBVBGPMZQQLMMO-QHCPKHFHSA-N 449.453 5.142 30 10 IKEE CCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccccc1 1862688567 ZKAYOZZFYFIBOH-VWLOTQADSA-N 449.591 6.414 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(N(CCC)CCC)cc2)=C(c2cc(C)ccc2C)C1=O 1863408301 BKYNSWVOHQSGKH-UHFFFAOYSA-N 431.580 5.308 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2OC)C(=O)N(Cc2ccncc2)C1=O 1863760415 VBTFCSAOYZIGRF-UHFFFAOYSA-N 449.595 5.101 30 10 IKEE CCCCCCCCNC1=C(c2cccs2)C(=O)N(CCCCc2ccccc2)C1=O 1863812141 AUBZYMSNSIDISU-UHFFFAOYSA-N 438.637 5.801 30 10 IKEE CC(C)[C@@H](C(=O)NC(C)(C)C(=O)Nc1cccc(C#N)c1)c1ccc(Cl)c(Cl)c1 1866994707 HMKOHMFDQSDVPC-LJQANCHMSA-N 432.351 5.138 30 10 IKEE CCC[C@H](NC(=O)c1ccc(-c2cc3ccccc3[nH]2)cc1)C(=O)Nc1cccc(C#N)c1 1867061073 HOSSEEMPXIJMGT-DEOSSOPVSA-N 436.515 5.244 30 10 IKEE C=CCN(CC=C)c1cc(N2CCO[C@H](c3ccccc3)C2)nc(-c2ccccc2Cl)n1 1869240147 GNAGWGHFNLZAMF-QHCPKHFHSA-N 446.982 5.553 30 10 IKEE CCCCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CSc1ccccn1 1870236101 WUWBUXHVAOHDPT-UHFFFAOYSA-N 444.685 7.101 30 10 IKEE CCCCCCCCn1cc(OCc2c(C)cccc2C)c(=O)cc1CN(CC)CC 1870490520 YYUMFORXJBMRMG-UHFFFAOYSA-N 426.645 6.246 30 10 IKEE CCCCCCCCn1cc(OCCCCCCC)c(=O)cc1CNc1cccc(C)c1 1870835993 DDONLNADXHWPPW-UHFFFAOYSA-N 440.672 7.479 30 10 IKEE CCCCCCCOc1cn(CCc2ccc(C)cc2)c(CNc2ccccc2)cc1=O 1870836440 WPTKDXNRLOOQPL-UHFFFAOYSA-N 432.608 6.361 30 10 IKEE CCCCCCCOc1cn(CCCCCCO)c(CNc2ccc(CC)cc2)cc1=O 1870839394 RGBHHPGRQRAWGO-UHFFFAOYSA-N 442.644 5.925 30 10 IKEE C#CCOc1cn(CCCCCCCCCC)c(CNc2ccc(Cl)cc2C)cc1=O 1871006075 OFVMAEMRLBYNEA-UHFFFAOYSA-N 443.031 6.575 30 10 IKEE CCc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCCN(CC)CC)C4)cc1 1871349247 RDUHZAMODBOGSO-JLPGSUDCSA-N 434.580 5.057 30 10 IKEE Cc1c(OC(=O)C(C)(C)Oc2ccc(Cl)cc2)ccc2c1O/C(=C\c1ccccn1)C2=O 1871384689 DZVNSRRYCVMSKX-STZFKDTASA-N 449.890 5.423 30 10 IKEE Cc1cc(OC(=O)c2ccc(OC(C)C)cc2)cc2c1C(=O)/C(=C/c1ccccc1Cl)O2 1871388269 MIFVREQGXPSKBV-QRVIBDJDSA-N 448.902 6.271 30 10 IKEE COc1ccc(CCOc2cc(C)c3c(c2)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)cc1 1871448246 MMNCPDAUCZJRMY-ONUIUJJFSA-N 442.555 6.539 30 10 IKEE COc1ccc(CCOc2cc(C)c3c(c2)O/C(=C\c2c(F)cccc2Cl)C3=O)cc1 1871448321 ORKXXCJHJRJLOD-UCQKPKSFSA-N 438.882 6.034 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NS(=O)(=O)c1cccs1)c1ccccc1 1872613816 WEZCAODFBOMDBZ-NRFANRHFSA-N 436.643 5.025 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@H](C#N)C(=O)[C@H](C)Oc2ccccc2C(C)C)n1 1872780279 DWFNLJZFOSQPLP-GHTZIAJQSA-N 448.588 6.203 30 10 IKEE Cc1cc(C)c(-c2csc([C@H](C#N)C(=O)CCCOc3ccc(Cl)cc3)n2)c(C)c1 1872785859 AZVPKFCUNVWHHM-HXUWFJFHSA-N 438.980 6.424 30 10 IKEE COc1ccc(OC)c(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)s3)cs2)c1 1872789197 ABLRRWZJOSAQLY-LYKUJDHUSA-N 430.938 5.432 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2)C(=O)N([C@H](C)c2ccccc2)C1=O 1873159470 WEVYBYKAXJRVLB-JOCHJYFZSA-N 432.608 6.258 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2C)=C(c2cc(F)c(F)cc2F)C1=O 1873242263 WTAXGAVHAOCMCV-UHFFFAOYSA-N 444.497 5.965 30 10 IKEE COC(=O)c1nc(-c2cccs2)oc1N/N=C/c1ccc(OCc2ccc(C)cc2)cc1 1873463720 NVYZOJWUTNYUFC-AFUMVMLFSA-N 447.516 5.523 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccc(Cl)cc1 1874231087 RFMGISOEBNREFH-FSJBWODESA-N 433.364 5.633 30 10 IKEE C=C(C)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccc(C(C)C)cc1 1874274888 WFLXJZHMJOLLSV-HMHIXTCJSA-N 439.629 5.066 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccccc1[N+](=O)[O-] 1874279031 PJEQBEJUDFWZJU-YDZHTSKRSA-N 441.944 5.175 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccc(F)cc3)n2/N=C/c2cccnc2)c(C)c1 1874326137 ZTXOOYOXJBMAOR-MZJWZYIUSA-N 447.539 5.183 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2F)c(C)c1 1874327459 OXCNZGIBIAEHEG-JFLMPSFJSA-N 446.551 5.788 30 10 IKEE CCSc1nnc(COc2ccccc2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874383242 GLFVVCHTEXYTLM-YZSQISJMSA-N 444.560 5.430 30 10 IKEE Oc1cccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccccc2F)c1 1874403075 RZNYLGUZDBGHFD-WGOQTCKBSA-N 432.524 5.083 30 10 IKEE CCOc1cccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccc(C)cc2)c1 1874405486 ZTTDNFLMSBAWSM-OVVQPSECSA-N 448.636 6.283 30 10 IKEE CC(C)(C)Cc1nnc(SCCc2ccccc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874439868 XDZYNCBOMJEUGI-ZXVVBBHZSA-N 434.653 6.381 30 10 IKEE C=CCSc1nnc(CC(C)(C)C)n1/N=C/c1ccc(N(CC)Cc2ccccc2)cc1 1874439886 YBFHZMFKHDRYPD-ZXVVBBHZSA-N 447.652 6.054 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CCCC2)cc1O 1874455651 CUBLPGZWPPJPNX-FSJBWODESA-N 428.945 5.175 30 10 IKEE CCOc1cc(/C=N/n2c(SC)nnc2-c2ccco2)ccc1OCc1ccccc1 1874464117 RYGCWJPACSMQSI-BUVRLJJBSA-N 434.521 5.120 30 10 IKEE CC(C)(C)c1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccccc1[N+](=O)[O-] 1874486804 LJMLJMATKQHKKC-FOKLQQMPSA-N 447.923 5.451 30 10 IKEE C=C(C)CSc1nnc(CCC)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1874507393 ALWRAQCGXCPBRI-AFUMVMLFSA-N 441.000 6.013 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(SCc2cccc(C)c2)nnc1C1CC1 1874518379 QIMGVJFNIDQTSQ-CVKSISIWSA-N 428.561 5.800 30 10 IKEE CCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1/N=C/c1ccc(C(C)C)cc1 1874529164 VEGJTDASMBQVEE-AFUMVMLFSA-N 435.597 5.194 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)N[C@H](C)c3ccccc3)c2)cc1Cl 1874600157 WXIDHJPWYNLURB-IYPOZPNPSA-N 449.934 5.501 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2F)c([N+](=O)[O-])c1)c1ccc2ccccc2c1 1874602837 BVZPXOZRVGODHC-UKTHLTGXSA-N 427.431 6.362 30 10 IKEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc1OC 1874625904 CJJPTDTTXYIQKE-DHZHZOJOSA-N 440.536 5.229 30 10 IKEE Cc1ccc(C)c(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)c2)c1C 1874697799 ANSLIWTVMCMUHB-NTEUORMPSA-N 445.471 5.401 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OC(=O)C12CC3CC(CC(C3)C1)C2 1874703530 UNKCCJCFKCDAPR-SOFGYWHQSA-N 444.571 6.330 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1OC(=O)c1ccc(F)cc1F 1874704445 PGLYCZMVVVPCOP-WEVVVXLNSA-N 438.426 5.406 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC(=O)c2cc(C)cc(C)c2)c1 1874709678 NTLIZMSQSKABPB-ZRDIBKRKSA-N 442.555 6.725 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3cc(C)c(Cl)c(C)c3)c2)cc1C 1874714242 LOKWLZHKOFOBJB-PKNBQFBNSA-N 448.946 6.454 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)Cc1ccccc1 1875098992 PJWHLIAIOIXUMO-RVDMUPIBSA-N 426.512 5.618 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3cccc(OC)c3)cc2)cc1 1875102875 RHXUYDIYWCNEQG-QGOAFFKASA-N 444.527 5.918 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2c(F)cccc2Cl)cc1)c1ccc(Cl)cc1Cl 1875104719 LBOIAZBXWZHMGJ-IZZDOVSWSA-N 449.692 6.901 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3OC)cc2OC)cc1 1875119759 LHLQHGRXKMTFIY-RVDMUPIBSA-N 446.499 5.147 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)Cc1ccc(Cl)cc1 1875140107 PZESBNCCFQZCCU-XYOKQWHBSA-N 434.919 6.010 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccc(C)cc1 1875149428 PQLGHEPUADINDL-RQZCQDPDSA-N 442.555 6.807 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)C1CCC1 1875156841 LRCXGFUPFQCDEF-MDWZMJQESA-N 426.940 6.464 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1cc(C)cc(C)c1 1875163974 MPCFRVFIVACMSP-WEVVVXLNSA-N 436.454 6.096 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3)c([N+](=O)[O-])c2)cc1C 1875187774 HISXUYIPPZELSH-PKNBQFBNSA-N 445.471 5.264 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H]3CCCO3)c(Cl)c2)c2ccccc12 1875190410 LPMPAEPRVSSJQV-NOENIZQJSA-N 436.891 5.482 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N1C[C@H](C)O[C@H](C)C1)n2CCCC 1875212645 NBODAVGOKXSMRB-BGYRXZFFSA-N 443.636 5.253 30 10 IKEE N#Cc1ccc(N2CCN(C(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)cc3)CC2)cc1 1890833768 CUSADJPOFJBWFI-UHFFFAOYSA-N 436.342 5.494 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1929535722 RLADQCKNULZYRB-YADARESESA-N 429.561 5.153 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@](NC(=O)OC(C)(C)C)(C(C)C)C(F)(F)F 1950530354 LIQXIWWBVRCEMR-KNQAVFIVSA-N 444.538 5.219 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]12C[C@@H]1[C@@H]1CC[C@H](C2)N1C(=O)OC(C)(C)C 2043139671 CJGIVMSVXPHLJG-PXYUTCIWSA-N 440.628 5.306 30 10 IKEE O=C(C=Cc1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccc2c(c1)-c1ccccc1C2 2053614230 HUUWKIOXJICOLP-UHFFFAOYSA-N 431.318 7.721 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CN(C(=O)OC(C)(C)C)CC12CCCC2 2054785276 ACTQMRNXEKDBAH-ZEQRLZLVSA-N 442.644 5.555 30 10 IKEE CC(C)(C)OC(=O)c1nn(-c2nc(C(F)(F)F)ccc2F)c(C(F)(F)F)c1Cl 2078925800 BEBKVCSPQPCTEK-UHFFFAOYSA-N 433.711 5.053 30 10 IKEE Cc1ccc([C@@H](C(C)C)n2nc(C3(C)CC3)c(C#N)c2I)cc1C 2079140930 UZKAHERKMCWGRW-QGZVFWFLSA-N 433.337 5.273 30 10 IKEE CC[C@@H](c1ccc(C2CCC2)cc1)n1nc(C2CC2)c(C#N)c1I 2079945544 JCGCCWNTTFTPPG-SFHVURJKSA-N 431.321 5.504 30 10 IKEE CC(C)(C)c1nn([C@@H](c2ccc(C(F)(F)F)cc2F)C2(C)CC2)c(Cl)c1C=NO 2079951811 YNAMJKBDRGESOT-INIZCTEOSA-N 431.861 6.190 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cccc(Br)c1C 2138864501 LARMGLLBJVGJQU-RTBURBONSA-N 425.411 5.658 30 10 IKEE C=C[C@@H](C1CC1)N(C)[C@H](CN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2139827414 HOCCPCFRORNNCG-RRPNLBNLSA-N 442.603 5.741 30 10 IKEE C=CCC1(Nc2ccc(Br)cc2[N+](=O)[O-])CCN(C(=O)OC(C)(C)C)CC1 2162330780 YTZGEKGYFIUBII-UHFFFAOYSA-N 440.338 5.115 30 10 IKEE COc1cc(CNC(=O)OC(C)(C)C)ccc1Nc1cccc(Br)c1C#N 2162334973 SLQFZHGWUBMZBP-UHFFFAOYSA-N 432.318 5.098 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](Nc2ccc(C#N)cc2Br)Cc2ccccc21 2162387618 PJSASYNCQLPFGK-MRXNPFEDSA-N 428.330 5.099 30 10 IKEE CCC[C@]1(CNc2cc(Br)ccc2C#N)CCCCN1C(=O)OC(C)(C)C 2162408899 BSWNHVTVPUCVGW-OAQYLSRUSA-N 436.394 5.693 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCCNC12CCCC2 2204344648 DPSMGOJJLIBOCK-OAQYLSRUSA-N 434.378 5.149 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCCNC12CCCC2 2204349404 SCJKORBPJCDWMN-OAQYLSRUSA-N 434.378 5.149 30 10 IKEE C=C(Cl)C[C@@H](NCCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229118904 SESPMYKTEZUHAF-QZTJIDSGSA-N 445.829 5.396 30 10 IKEE C=CCCCCCCC[C@H](NC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2235526826 OWAMQAQPQUWQFZ-IBGZPJMESA-N 439.438 6.973 30 10 IKEE C=CCCCC[C@@H](NCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237403055 QQQWXGQOOYZDJS-WOJBJXKFSA-N 439.438 5.609 30 10 IKEE CN[C@H](C#Cc1ccc(Cl)cc1)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2239578110 KHWDAIRDTHTDRA-LJQANCHMSA-N 449.776 5.762 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)[C@@](C)(CC(C)C)NC(=O)OC(C)(C)C 2285415132 FJCBOMZJNAPXFH-DENIHFKCSA-N 437.422 5.108 30 10 IKEE CCCCCCCc1ccc(C=Cc2noc(-c3ccc(Br)cc3)n2)cc1 2293391497 JWKJQKIKQLWOAG-UHFFFAOYSA-N 425.370 7.182 30 10 IKEE C[C@@]12CC[C@]3(C)[C@](C)(CC[C@@]4(C)C(=O)C(=Cc5ccncc5)C[C@@]43C)[C@@]1(C)CC[C@H](O)C2 2294712151 GYTNBVPAHRXQRC-QMCKIYJWSA-N 435.652 6.608 30 10 IKEE CC(C)(C)OC(=O)N[C@H](CC(=O)C#Cc1cccc(Br)c1)C1CCCCC1 2296222849 WRZRWHHEZXSJKT-HXUWFJFHSA-N 434.374 5.233 30 10 IKEE CC[C@H]1CC[C@@](NC(=O)OC(C)(C)C)([C@H](O)C#Cc2cccc(Br)c2)CC1 2296231352 CLQBJEHMXVXYKY-ZWDAVXSWSA-N 436.390 5.025 30 10 IKEE CC(C)(C)OC(=O)NCC1(C[C@@H](O)C#Cc2ccc(Br)cc2)CCCCC1 2296275877 BMBBNVJBGBGPBY-IBGZPJMESA-N 436.390 5.027 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)CC[C@H](C)CCNC(=O)OC(C)(C)C 2296310843 OOUNCMJJBLXLMD-PXNSSMCTSA-N 437.422 5.110 30 10 IKEE CCCCCCCOc1ccc(C2=NC(=Cc3ccc(Cl)cc3Cl)C(=O)O2)cc1 2297175018 IENAOGUKRFUZDR-UHFFFAOYSA-N 432.347 6.687 30 10 IKEE CCCCCCCCc1ccc(-c2ccc(C3=NC(=Cc4ccco4)C(=O)O3)cc2)cc1 2297411565 MLVAAFTVDLTTCG-UHFFFAOYSA-N 427.544 7.194 30 10 IKEE Cc1ccc(C)c(COc2ccc3c(c2)OC(=Cc2cccc(Cl)c2Cl)C3=O)c1 2314437631 RKFIONQRIVQWIE-UHFFFAOYSA-N 425.311 6.805 30 10 IKEE Cc1csc(N=C2SC(=Cc3ccc(C(C)C)cc3)C(=O)N2C2CCCCC2)n1 2314543437 DHHCSZNPZNBSEC-UHFFFAOYSA-N 425.623 6.512 30 10 IKEE COc1ccc(C=C2Oc3cc(OCc4ccccc4Cl)cc(C)c3C2=O)c(OC)c1 2321762218 MJLMEODQZSAFLO-UHFFFAOYSA-N 436.891 5.861 30 10 IKEE CC(C)(C)c1nnc(S)n1N=Cc1ccc(OCc2ccc(Br)cc2)cc1 2321908654 XNFTWTRJBKJRJJ-UHFFFAOYSA-N 445.386 5.088 30 10 IKEE C[C@H](c1ccccc1)N1COc2ccc3c(c2C1)OC(=Cc1c(F)cccc1Cl)C3=O 2322092150 BZHJXKMIHHUQDZ-OAHLLOKOSA-N 435.882 6.008 30 10 IKEE Cc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCc2ccc(C)cc2)C4)cc1 2322220553 DIFLOASHFUUXMN-UHFFFAOYSA-N 425.528 5.623 30 10 IKEE CCOc1ccc(C=C2Oc3c(cc4c(c3C)OCN([C@H](C)c3ccccc3)C4)C2=O)cc1 2322371336 YABGYVOMNFDDEF-LJQANCHMSA-N 441.527 5.923 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Cl)ccc1OCc1c(Cl)cccc1Cl 2322481619 URFOCFIGWRSOCG-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE Cc1c(OC(=O)c2ccncc2)ccc2c1OC(=Cc1c(Cl)cccc1Cl)C2=O 2322828410 ILOVUJUIALZYKT-UHFFFAOYSA-N 426.255 5.532 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(OC)c(OC)c2OC)c1OCc1ccccc1 2323038867 FOHUAJIKIBALKR-UHFFFAOYSA-N 434.488 5.196 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc1OCc1cccc(F)c1 2323229961 SHDUOYWFGLDVHO-UHFFFAOYSA-N 448.534 6.616 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCc3cc(C)ccc3C)c2)cc1Cl 2323310392 BUNHTOUIHFRRDI-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE Cc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1[N+](=O)[O-] 2323331802 OKDWXCVBOBHDJL-UHFFFAOYSA-N 433.391 5.186 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OCC(=O)Nc2cc(C)ccc2C)c1 2323335621 ADOZVOICKKBBTJ-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1)Nc1ccc(F)cc1 2323419778 ZFDCHARGKMTROB-UHFFFAOYSA-N 429.491 5.618 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OCc3cccc4ccccc34)c([N+](=O)[O-])c2)c1 2323489788 MTCGUXGNDBWXJO-UHFFFAOYSA-N 439.467 6.232 30 10 IKEE COc1cccc(C=Nn2c(Cc3ccccc3)nnc2SC)c1OCc1ccccc1 2323581369 XDUCLAHMBNUVAK-UHFFFAOYSA-N 444.560 5.061 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(OC)c1OCc1ccc(C)cc1 2323800706 PUGVLIKQPPELML-UHFFFAOYSA-N 432.947 6.861 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OC 2324173474 LXEJMTDGIFSBKY-UHFFFAOYSA-N 437.580 5.742 30 10 IKEE O=C1C(=Cc2ccc(-c3ccccc3)cc2)Oc2cc(OCCOc3ccccc3)ccc21 2324220222 ZRQMHPIAPSAWGA-UHFFFAOYSA-N 434.491 6.428 30 10 IKEE C[C@@H](Oc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O)C(=O)Nc1ccccc1Cl 2324388715 QMYGENKKDDVGSC-CQSZACIVSA-N 437.854 5.501 30 10 IKEE N#C[C@@H](C(=O)C=Cc1cccc(Cl)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2324394989 GTICFWJADVRLLM-INIZCTEOSA-N 433.747 6.660 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(O[C@H](C)C(=O)Nc4cccc(C)c4C)c3C)C2=O)cc1 2324504839 HZIRPHMDDXFIEN-HXUWFJFHSA-N 441.527 5.942 30 10 IKEE O=C(C=Cc1ccc(OCc2c(F)cccc2Cl)cc1)c1cc(Cl)ccc1Cl 2324651519 YHXMUCADAJXIIN-UHFFFAOYSA-N 435.709 7.261 30 10 IKEE CCCCCOC(=O)COc1ccc2c(c1)OC(=Cc1ccc(Br)cc1)C2=O 2325041259 YLEROKDVNMDDLQ-UHFFFAOYSA-N 445.309 5.178 30 10 IKEE Cc1cc(OCC(=O)Nc2cccc(Cl)c2C)cc2c1C(=O)C(=Cc1ccccc1)O2 2325054831 OJCQEFMKHDPLCE-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2sccc2C)C3=O)cc1 2325424700 RIVMJRAIOCOVTO-INIZCTEOSA-N 447.512 5.281 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OCC(=O)Nc3c(F)cccc3F)cc(C)c2C1=O 2325512818 YMHURMANACQSFM-UHFFFAOYSA-N 435.426 5.215 30 10 IKEE CCCOc1ccc(C=CC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1OC 2325649328 QQZWTINVPJEUEV-UHFFFAOYSA-N 442.726 5.665 30 10 IKEE O=C(Cc1cccs1)Oc1cccc(C=CC(=O)c2ccc(Br)cc2)c1 2325716267 NFSHEONQKVBUTE-UHFFFAOYSA-N 427.319 5.555 30 10 IKEE O=C(CC1CCCCC1)Oc1cccc(C=CC(=O)c2cccc(Br)c2)c1 2325720521 GBKCIIGLOVXNCH-UHFFFAOYSA-N 427.338 6.221 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)CC34CC5CC(CC(C5)C3)C4)c2)c(C)c1 2325736468 LFSRSCYGPOHSLA-UHFFFAOYSA-N 428.572 6.711 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc3c(c2)OCO3)c1)c1ccc(Cl)c(Cl)c1 2325737378 DDFJXGVEYNPRIM-UHFFFAOYSA-N 441.266 5.837 30 10 IKEE CCOc1ccc(CCC(=O)Oc2cccc(C=CC(=O)c3ccc(C)cc3)c2)cc1OC 2325738471 OUAQMFZUHDKLMJ-UHFFFAOYSA-N 444.527 5.837 30 10 IKEE C=CCSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1ccc(C)cc1 2325913582 RYCMNVPQIZSFRP-UHFFFAOYSA-N 433.364 5.633 30 10 IKEE Clc1ccc(COc2cccc(C=Nn3cnnc3SCc3ccccc3)c2)cc1 2326202913 REEWDROXAAELME-UHFFFAOYSA-N 434.952 5.685 30 10 IKEE CCCOc1c(Cl)cc(C=Nn2cnnc2SCc2ccc(C)cc2C)cc1Cl 2326432465 FVRMJIOAAYHTSS-UHFFFAOYSA-N 449.407 6.165 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1cccc(OCC)c1OC 2326600996 LZIXFJLQPOVIJG-UHFFFAOYSA-N 438.597 5.429 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc(Cl)cc1Cl 2326698948 VFTWSOLAFGITRZ-UHFFFAOYSA-N 446.190 6.375 30 10 IKEE CCCCCCCOc1cccnc1NC(=O)N1CCN(CC=Cc2ccccc2)CC1 2328319621 OOGBZWKXKARIRI-UHFFFAOYSA-N 436.600 5.294 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3[N+](=O)[O-])n2N=Cc2ccco2)c1 2328489686 RXVXRGRMOZASDN-UHFFFAOYSA-N 447.520 5.161 30 10 IKEE COc1ccccc1CCc1nnc(SCc2ccccc2)n1N=Cc1cccc(F)c1 2328689881 XJYWWDSLFOALQR-UHFFFAOYSA-N 446.551 5.386 30 10 IKEE Cc1cccc(C=Nn2c(Cc3ccc(Cl)cc3)nnc2SCc2ccccc2C)c1 2329076740 KOFJCWQDBUIEQD-UHFFFAOYSA-N 447.007 6.314 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccccn1 2329480887 JIBTUVLSGIFDMZ-UHFFFAOYSA-N 431.540 5.080 30 10 IKEE O=C(Cc1ccccc1F)Oc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl 2330625175 DRYCXUTVCICXCR-UHFFFAOYSA-N 439.826 5.432 30 10 IKEE Fc1cccc(CSc2nnc(-c3ccccc3)n2N=Cc2c[nH]c3ccccc23)c1 2330651402 SPEMDMSTEKPLTA-UHFFFAOYSA-N 427.508 5.740 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Cl)c(OC(=O)Cc3ccccc3)c(OC)c2)c1 2330772951 UXKUSRQJYNWSSJ-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Br)cc2)cc(OC)c1OC(=O)C(C)C 2330894477 KVNLMLQHACOFCT-UHFFFAOYSA-N 443.337 5.644 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1Br)c1ccccn1 2330929444 PODZHYBDPTVDMD-UHFFFAOYSA-N 442.696 5.613 30 10 IKEE CCCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccc(OC)cc2)cc1OC 2330977150 VYAGVPROKKNBOV-UHFFFAOYSA-N 433.298 5.068 30 10 IKEE Clc1ccc(CSc2nnc([C@@H]3CCCO3)n2N=Cc2ccccc2Cl)cc1 2330993470 OZBFJWQJFLZDDC-SFHVURJKSA-N 433.364 5.611 30 10 IKEE COc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2[C@H]2CCCO2)cc1 2331007404 UDBLBYHKHPFDKP-LJQANCHMSA-N 446.935 5.105 30 10 IKEE O=[N+]([O-])c1ccccc1C=Nn1c(SCc2ccc(Cl)cc2)nnc1C1CCCC1 2331092853 MORWKPQXZHTUTK-UHFFFAOYSA-N 441.944 5.672 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1cccs1 2331254465 PMXQBNDXTIFOEM-UHFFFAOYSA-N 433.312 6.179 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1F 2331451195 ZGMTUOFSYQZIDR-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE Cc1cncc(C(=O)Oc2ccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)cc2[N+](=O)[O-])c1 2331649496 WVZRNALMOASVHN-UHFFFAOYSA-N 444.487 5.647 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)c(OC)cc2OC)ccc1OC(=O)CC(C)C 2331700394 HXTAGGWBWCULFA-UHFFFAOYSA-N 446.927 5.604 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@H](N)C#Cc2ccc(Br)cc2)c(Cl)c1 2335922716 LBVZXSYLVLELPY-GOSISDBHSA-N 435.749 5.501 30 10 IKEE CCC(CC)(CNC(=O)OC(C)(C)C)Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339587293 SGZMXTAHYRHRAX-UHFFFAOYSA-N 445.413 5.222 30 10 IKEE C[C@@H](CCCNC(=O)OC(C)(C)C)COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339604115 KYHSIDYBPRZAEY-JKGDOXCYSA-N 446.397 5.046 30 10 IKEE CC[C@@H](NC[C@]1(C)CCCN1Cc1ccccc1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363828965 ICONIWQRBDCBRE-NAKRPHOHSA-N 448.460 5.081 30 10 IKEE CC1(C)OB(/C=C/c2ccc(NC[C@H]3CCCCN(Cc4ccccc4)C3)nc2)OC1(C)C 2365053859 UICWTKVBUGVPAP-RFAWQRTRSA-N 447.432 5.440 30 10 IKEE CC1=C(C(=O)Nc2cccc(F)c2)[C@@H](c2ccccc2Cl)C2=C(CC(C)(C)CC2=O)N1 689617 UZWHFSOTMFIAEN-JOCHJYFZSA-N 438.930 5.722 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C/c2c(Cl)cccc2Cl)C3=O)cc1 2245146 KIGURNGXGWPURC-CIAFOILYSA-N 425.267 6.137 30 10 IKEE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccncc1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 18199736 BSZSZVHMRDROBO-HOYKHHGWSA-N 438.556 5.595 30 10 IKEE CC(C)CN(CC(C)C)C[C@H](O)Cn1cc(/C=C\C(=O)c2ccccc2)c2ccccc21 33248415 HJTYKSOEELGIMP-LAUMOQQDSA-N 432.608 5.512 30 10 IKEE C=CCc1ccc(OCCCn2c(CN3CCCCCC3)nc3ccccc32)c(OC)c1 39917460 RMVZQIDNZBXTJP-UHFFFAOYSA-N 433.596 5.619 30 10 IKEE C=CCn1c(COc2ccc(CCC)cc2)nnc1SCC(=O)Nc1cccc(C)c1 40978138 KBKSVHUFICIQPR-UHFFFAOYSA-N 436.581 5.035 30 10 IKEE COc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(C2CCCCC2)C4)c(OC)c1 41645641 NHNLFCDIQZAZOL-FMCGGJTJSA-N 435.520 5.113 30 10 IKEE COC(=O)/C(=N/Nc1ccc(C)cc1)Sc1ncc(-c2ccccc2)n1-c1ccccc1 59121462 QRVZWVDVPRCCFE-NFFVHWSESA-N 442.544 5.538 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OC(=O)c4cccc(C)c4)ccc3C2=O)cc1 62926583 TYBOJEKMJUHSAN-XYGWBWBKSA-N 427.500 5.677 30 10 IKEE C=CC[C@@H](Sc1nnc(-c2ccc(Br)cc2)n1C1CC1)c1ccccc1 72262865 IIBFDFBCWMAUTJ-LJQANCHMSA-N 426.383 6.452 30 10 IKEE CCOc1ccc(Br)cc1/C=C\C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 98027953 CDRHUFSCBSMTOQ-WYOARUQKSA-N 445.382 5.558 30 10 IKEE CCCCCCCCCCCCCC(=O)Nc1cccc(C(=O)N2CCN(C)CC2)c1 100442572 GNJAQBZMTHNEFK-UHFFFAOYSA-N 429.649 5.714 30 10 IKEE CC1=CC(C)(C)NC(=S)N1c1ccc(C(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 100984972 CSDFWDDSRJQBNW-YRNVUSSQSA-N 431.388 6.266 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC/C=C\c4ccccc4)ccc3C2=O)c(OC)c1OC 103023762 NIFKPOIFZVZXBG-YJNQTKBUSA-N 444.483 5.421 30 10 IKEE Cc1cc(-c2cc(C(=O)N[C@@H](C#N)c3ccc(F)cc3F)c3cnn(C(C)C)c3n2)c(C)o1 111030278 ISBYPYBCMPLTFX-QFIPXVFZSA-N 449.461 5.162 30 10 IKEE Cc1cc(=O)[nH]c(N/N=C\c2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)n1 169887812 CMYUMXOTXMKFQV-VEILYXNESA-N 446.514 5.044 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccc(C)c(C)c2)c1 169932632 PSUJICCPQKJWBL-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2cccc(C)c2)cc1C 169971794 MHIPJNPWROPIPO-QHCPKHFHSA-N 449.453 5.373 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(OC)c3)[C@@H]2c2cccc(C)c2)cc1 169972777 QBCGOCSLMVQZKO-RUZDIDTESA-N 441.527 5.345 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2C)[C@H]1c1cccs1 169986816 SKOBJMJQCVFLNH-FQEVSTJZSA-N 439.920 5.501 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(Cl)ccc2O)[C@H]1c1cccs1)c1ccc(F)cc1 169987404 WLWXEYXKBPFNIG-SFHVURJKSA-N 429.856 5.029 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccnc1 170006142 CXPXDAWQOUKHQP-QFIPXVFZSA-N 444.874 5.573 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)cc1 170063592 RBHGLHCGKFMEPA-NRFANRHFSA-N 432.838 5.134 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccn2)ccc1Cl 170179222 XOKMONRRJDGEJC-NRFANRHFSA-N 440.927 5.045 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccnc2)c1 170191034 MEFZKEAKVWUDPA-QFIPXVFZSA-N 448.906 5.225 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccncc2)c1 170200290 KXJUFSIRURODHW-DEOSSOPVSA-N 442.515 5.270 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccncc2)cc1 170203788 RAQAXRPIQYTEFC-JOCHJYFZSA-N 448.906 5.305 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccccc2)cc1 170227198 ASZBHYODOCHLFM-XMMPIXPASA-N 427.500 5.565 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@H]1c1ccc(Cl)cc1 170236291 SHWVPORTIHQXBW-OAQYLSRUSA-N 441.955 5.634 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccccc1C 170276835 QLAYWJLAUOTTLL-XMMPIXPASA-N 435.564 5.717 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@H]1c1ccccc1C 170277445 KZMBGEVDUCWLQO-OAQYLSRUSA-N 427.928 5.426 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccco2)c1 170289997 LFRUXUAEAFWWNX-OAQYLSRUSA-N 437.879 5.423 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1ccco1)c1cccc2ccccc12 170296748 POEOMSKATRSQGW-DEOSSOPVSA-N 441.458 5.393 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2cccc(F)c2)o1 170299052 PSWLBVHSZRZDKX-QFIPXVFZSA-N 435.451 5.297 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccc(OC(C)C)c2)c1 170347518 RDGIVHMVHQRNRZ-DEOSSOPVSA-N 443.499 5.265 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccc(Cl)c(Cl)c1)c1ccncc1 170379614 HECSULLJMPDNLR-IBGZPJMESA-N 443.261 5.310 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1ccc(C(F)(F)F)cc1 170399495 PWSCQNWULULCCC-OAQYLSRUSA-N 437.417 5.797 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1cccc(C(F)(F)F)c1 170406032 UCNAVUJVNPMDDB-GOSISDBHSA-N 443.446 5.858 30 10 IKEE Cc1ccccc1/C=N/N=C1/S/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccco1 205687215 MKCPQCFEXVEKOS-IOOFSVDWSA-N 446.488 5.003 30 10 IKEE CCOc1c(Br)cc(/C=C(\C(=O)c2ccccc2C)c2ncc[nH]2)cc1OC 221931967 KIUPOFCAJUHYLD-GZTJUZNOSA-N 441.325 5.311 30 10 IKEE C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(CC)cc2)SC1=Nc1cccc(Cl)c1C 252614607 JKQDMARGBGWDEQ-FQEVSTJZSA-N 441.984 5.357 30 10 IKEE Cc1ccccc1N=C1S/C(=C/c2ccc(C(C)C)cc2)C(=O)N1c1ccccc1C 252621023 MRDUCHUHMFQMJK-UYJNXHFOSA-N 426.585 7.235 30 10 IKEE Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)ON=Cc1ccccc1[N+](=O)[O-] 254593227 MNVYJPJCEBGRTB-UHFFFAOYSA-N 435.223 5.448 30 10 IKEE CCCCCCCC[C@H](NC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 406722172 WNMJJJRKKRWJDG-IBGZPJMESA-N 427.427 6.807 30 10 IKEE N#Cc1cccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@@H]2c2ccc([N+](=O)[O-])s2)c1 526516153 NIOYHXMQKGKCKI-IBGZPJMESA-N 437.864 5.239 30 10 IKEE Cc1ccc(SC2=C(Nc3cc(F)ccc3F)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 526662611 IFRDDOIIRRFZQO-UHFFFAOYSA-N 447.466 5.134 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccccc1C(F)(F)F 526811579 OLOFICYWUYLBBU-ROTLSHHCSA-N 438.906 6.077 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1cccc([N+](=O)[O-])c1 526813927 FETGSPLOLQECSZ-FBHDLOMBSA-N 436.324 5.230 30 10 IKEE CCCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1cccs1 526814903 LYSKXDFLLOYKRN-NHDPSOOVSA-N 425.410 6.164 30 10 IKEE C=CCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H]1c1csc(C)n1 567401440 GZBKGXLJVHDRDT-QGZVFWFLSA-N 430.375 5.000 30 10 IKEE CC(C)(C)c1ccc(S(=O)(=O)N(CCCC#N)Cc2cccc(C(F)(F)F)c2)cc1 586145325 ZPCDBAGVWPCROW-UHFFFAOYSA-N 438.515 5.498 30 10 IKEE CC#CCC[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCCC 686837276 CTRFIJZGNMHXQS-XMMPIXPASA-N 441.660 5.108 30 10 IKEE N#Cc1ccc(Nc2nc(Br)c(Br)s2)cc1C(F)(F)F 686906227 SONOAUBHTYFDEG-UHFFFAOYSA-N 427.043 5.302 30 10 IKEE C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(F)c(Cl)c2)[n+]2cc(O)ccc2C)c1 736270209 RNGZYJVSPLMCID-UHFFFAOYSA-O 439.919 5.085 30 10 IKEE C[C@H]1CC[C@@H]2C(C)(C)[C@@]2([S@@+]([C@@]23C[C@H](C)CC[C@@H]2C3(C)C)[C@]23C[C@H](C)CC[C@@H]2C3(C)C)C1 1082709460 RGSZMTQAHFQKSE-TZWSKPMXSA-N 443.805 8.249 30 10 IKEE Cc1cc(C)c(NS(=O)(=O)c2ccc(N=Cc3ccc(Cl)cc3Cl)cc2)c(C)c1 1084030004 GLBKWAANUTXCEF-UHFFFAOYSA-N 447.387 6.470 30 10 IKEE C(=NC1=N[C@H](c2ccco2)[C@@H](c2ccco2)S1)c1ccc(OCc2ccccc2)cc1 1084169837 FVGCLJVNGAORAS-DNQXCXABSA-N 428.513 6.456 30 10 IKEE Cc1ccc(N=Cc2ccc(SCC(=O)c3ccc([N+](=O)[O-])cc3)c([N+](=O)[O-])c2)cc1 1084250892 GNVWMYQZDTVSIL-UHFFFAOYSA-N 435.461 5.537 30 10 IKEE CCN1/C(=C/C=C/c2sc3c(C#N)c(C)ccc3[n+]2CC)Sc2c1ccc(C)c2C#N 1614384610 DLQMYURREZUSNT-UHFFFAOYSA-N 443.621 6.056 30 10 IKEE Cc1ccc([C@@H]2[CH]c3ccccc3O/C2=N/N=C2\SCC(=O)N2c2ccccc2)cc1 1614735654 SFSQTVYEAGZSDF-SOLFCBGGSA-N 426.521 5.173 30 10 IKEE CC(/C=N/N=C1/S/C(=C/c2ccccc2)C(=O)N1Cc1ccco1)=C\c1ccccc1 1615304791 PNBVSPVBFBENEO-DQOZDRGWSA-N 427.529 5.841 30 10 IKEE C=CCCCCCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCC[C@H]1C 1690449402 GCZKXSNZKGRGFF-RTBURBONSA-N 434.588 5.213 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=Nc1nc(C)cs1 1772736293 SSFTUMKJAUQYOS-ZZYMSUEGSA-N 429.954 5.989 30 10 IKEE C/C(C=NN=C1S/C(=C/c2ccccc2)C(=O)N1Cc1ccco1)=C\c1ccccc1 1772759306 PNBVSPVBFBENEO-LAAGTGQTSA-N 427.529 5.841 30 10 IKEE Cc1cccc(-n2cc(/C=N\NC(=S)Nc3ccccc3)c(-c3ccc(C)c(C)c3)n2)c1 1857808800 FUXOUWHRXJENMB-YUMHPJSZSA-N 439.588 5.785 30 10 IKEE CCCCCCCOc1cccnc1NC(=O)N1CCN(C/C=C/c2ccccc2)CC1 1858820953 OOGBZWKXKARIRI-SDNWHVSQSA-N 436.600 5.294 30 10 IKEE CC(C)N(C(=O)c1ccc(C(F)(F)F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1859876338 QWHLODLYVRPLEE-UHFFFAOYSA-N 443.309 6.798 30 10 IKEE CCCCCCCCCOc1cccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 1860117074 ARAUVHWRHSDHNA-UHFFFAOYSA-N 429.473 5.885 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CC(C)C)cc1 1862437317 OHHRLHPXEYJWMT-OAQYLSRUSA-N 427.928 5.363 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccc(Cl)c2)[C@H]1c1ccccc1)c1cccc(Cl)c1 1862441202 BSXQBWUVDOEUTP-NRFANRHFSA-N 438.310 5.772 30 10 IKEE CCN(CC)CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C)cc1 1862475578 PTYZPSJGWHETNH-DEOSSOPVSA-N 434.580 5.004 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccc(Cl)cc2)cc1 1862477369 WJMFGZIVWXZJEQ-OAQYLSRUSA-N 427.928 5.042 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)cc1 1862478635 MTASVASBSCUYRJ-RVSNTGDXSA-N 433.548 5.551 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccs2)cc1 1862479975 UZXDPTPDCJCACI-QHCPKHFHSA-N 447.556 5.624 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCCCC2)cc1OC 1862481774 ILZWOCUOMBRZNG-DEOSSOPVSA-N 449.547 5.313 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccccc2F)cc1 1862490248 QSKDQSKODGKHMH-DEOSSOPVSA-N 429.491 5.529 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1cccc(F)c1)c1ccc2c(c1)CCCC2 1862545003 QKBSPTVQEZBDEP-VWLOTQADSA-N 441.502 5.483 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C2CCCCCCC2)c1 1862559500 PSNQUMVPIJAYKZ-DEOSSOPVSA-N 448.563 5.359 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccc(Cl)cc2)cc1 1862589993 YIYZKBQGTALCLB-QFIPXVFZSA-N 433.891 5.133 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 1862620312 POSAEDYVGQKIBQ-HOYKHHGWSA-N 447.619 6.658 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CC)cc1OCC 1862671277 NUKHDLWFBIGHGC-QHCPKHFHSA-N 437.536 5.206 30 10 IKEE CC(C)(C)c1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(F)cc3)C2=O)cc1 1862763996 PVOOFZQVLFDDLE-UHFFFAOYSA-N 439.490 5.391 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(F)cc3Cl)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862905209 BPSNPAXPCXOBTM-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE CCCCCCCCCCN1C(=O)C(NC[C@@H]2CCCO2)=C(c2ccc(Cl)cc2)C1=O 1863533754 QSVUTAZAWWZQAK-NRFANRHFSA-N 447.019 5.329 30 10 IKEE CCCCCCCCN1C(=O)C(N[C@H](C)c2ccccc2)=C(c2ccccc2[N+](=O)[O-])C1=O 1863597204 YUUSPMRTLVURDF-LJQANCHMSA-N 449.551 5.386 30 10 IKEE CC(C)c1nc(Nc2ccc(C#N)cc2)cc(N2CCCc3ccc(N4CCCC4)cc32)n1 1868242250 LMYIMGXGZOVRES-UHFFFAOYSA-N 438.579 5.900 30 10 IKEE C[C@@H]1CN(c2cc(Nc3ccc(C#N)cc3)nc(-c3ccccc3Cl)n2)C(C)(C)CO1 1868422569 JHMXZUQYBQOEIM-MRXNPFEDSA-N 433.943 5.416 30 10 IKEE CC(C)Oc1ccc(/C=C(/C(=O)N2CC(Oc3ccc(C#N)cc3)C2)c2ccccc2)cc1 1869922941 NHNRFJNKKDIXAT-JVWAILMASA-N 438.527 5.176 30 10 IKEE CC(C)(C)c1ccc(/C=C/C(=O)Nc2c(C#N)nnn2-c2ccc(C(C)(C)C)cc2)cc1 1870141056 XPAGGPSPTXEJDG-CXUHLZMHSA-N 427.552 5.386 30 10 IKEE C=CCOc1cn(Cc2cccc(C)c2)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870244211 FIWLXHBBSLKBFM-UHFFFAOYSA-N 445.588 5.254 30 10 IKEE CCCCCCCCn1cc(OCC(C)C)c(=O)cc1CNc1ccc(OC)c(OC)c1 1870858036 QRTGIAAMGBXQID-UHFFFAOYSA-N 444.616 5.873 30 10 IKEE C=CCn1cc(OCc2ccc(C(C)C)cc2)c(=O)cc1CNc1cccc(C(C)(C)C)c1 1870897721 OWVFHTPNESXCHG-UHFFFAOYSA-N 444.619 6.646 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OC(C)C)c(=O)cc1CNc1ccc(F)cc1 1870907417 OZVPOSLROPWJDN-UHFFFAOYSA-N 446.563 5.290 30 10 IKEE CCCCC[C@H](CC)N1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(C(C)C)cc1)C3=O 1871347727 SGMNIVIBUALSBX-DGMIEQENSA-N 447.619 7.245 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])ccc2C1=O 1871373373 CKLZPJUJLCORPA-FBHDLOMBSA-N 435.819 5.392 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc(C)c3C2=O)o1 1871373689 DUJJXXFNJPCKCG-OCKHKDLRSA-N 439.807 5.293 30 10 IKEE CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccco2)C3=O)cc1 1871405364 DLOCAKBVIOUFLQ-LRSOKBAUSA-N 433.460 5.009 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2)C3=O)cc1 1871410165 ASHHAVDMLZFNMC-XHFXOGKZSA-N 427.500 5.580 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)c1 1871412277 QAPHGQABURDUQF-GHRPQRKGSA-N 447.918 5.979 30 10 IKEE CC(C)(C)c1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccccc2)C3=O)cc1 1871445190 MAWPJMBBACRGLU-IWIPYMOSSA-N 427.500 5.618 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4CC)ccc3C2=O)cc1 1871458418 IVWGTYVDJPPZSS-MYYYXRDXSA-N 427.500 5.445 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccc(C)c(C)c4)c3C)C2=O)cc1 1871458955 IMLKBKQRWAPQMG-OYKKKHCWSA-N 427.500 5.554 30 10 IKEE Cc1ccc2oc(=O)cc(COc3ccc4c(c3)O/C(=C\C=C\c3ccccc3)C4=O)c2c1 1871460516 QOUPYQLESQLPBX-PRUYFSNSSA-N 436.463 5.853 30 10 IKEE CCCCCCCCCCN=c1nc(N(CC)CC)[nH]c(=Nc2cccc(Cl)c2)[nH]1 1871647255 NRPHTQIZYXWAKO-UHFFFAOYSA-N 433.044 5.511 30 10 IKEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)c(C)c1 1871800269 UXCVOPVYYLDSFL-QFIPXVFZSA-N 449.016 5.249 30 10 IKEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1cc(C)ccc1C 1871839419 CHOQEEMHERGMSV-QHCPKHFHSA-N 442.625 5.411 30 10 IKEE Cc1cc(-c2csc([C@@H](C#N)C(=O)c3ccccc3C(=O)c3ccccc3)n2)ccc1F 1872773135 XATPRFOEXUJHCJ-NRFANRHFSA-N 440.499 5.979 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccccc3C(C)C)n2)cc1F 1872775376 PCNSFYGNQPJGBR-YJBOKZPZSA-N 438.524 5.725 30 10 IKEE COc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(F)cc3)cs2)c(C(C)(C)C)c1 1872775803 ATAQMULGJKKPLN-GOSISDBHSA-N 438.524 5.511 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@@H](C#N)C(=O)c2cc3ccccc3oc2=O)n1 1872780830 MIFRAFSQKNJJJB-SFHVURJKSA-N 430.485 5.032 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc2nc(CCCOc3ccccc3)[nH]c2c1 1872810796 DHJWXWOOGPMBDL-UHFFFAOYSA-N 435.612 6.445 30 10 IKEE CCCCCCCCCCN1C[C@H](C(=O)N(Cc2ccco2)Cc2ccco2)CC1=O 1872962934 ARGIVPKCDXODEH-OAQYLSRUSA-N 428.573 5.391 30 10 IKEE CCCCCCCCCCNC1=C(c2c(C)cc(C)cc2C)C(=O)N(CCCC)C1=O 1873119902 SZSFIYZTMCZPLK-UHFFFAOYSA-N 426.645 6.222 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(Nc2cccc(C#N)c2)=C(c2cccc(OC)c2)C1=O 1873214307 FGGGFDNXDUZNPX-NRFANRHFSA-N 431.536 5.118 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(OCCCCCC)cc1)n2CC(C)C 1873612991 QZEHMBFASSCASM-UHFFFAOYSA-N 449.599 5.897 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C(C)C)cc2)cc2c(N3C[C@@H](C)C[C@@H](C)C3)ncnc21 1873666953 YSOMOZLLKBMCHJ-KDURUIRLSA-N 431.584 5.475 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccc(F)cc1 1874214585 TUKAUXMCNCUWRN-BUVRLJJBSA-N 430.936 5.243 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccccc1C 1874231799 BGPQBQLLGSEQCL-WPWMEQJKSA-N 426.589 6.075 30 10 IKEE C=C(C)CSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccccc1[N+](=O)[O-] 1874269641 HHEUKSFARBIPLK-MFKUBSTISA-N 443.532 5.481 30 10 IKEE CCSc1nnc(COc2ccc(OC)cc2)n1/N=C/c1ccc(Cl)cc1Cl 1874293016 WFGPMVNPRCGPRG-SSDVNMTOSA-N 437.352 5.167 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3cccc(C)c3)n2/N=C/c2ccccc2)cc1 1874302737 NNFHUYXDYLFUCO-OVVQPSECSA-N 442.588 5.751 30 10 IKEE Cc1cccc(CSc2nnc(COCc3ccccc3)n2/N=C/c2cccc(O)c2)c1 1874353833 CUDACMYYJDZEGJ-CVKSISIWSA-N 444.560 5.183 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3C)n2/N=C/c2cccc(F)c2)c1 1874361664 ZOBSPGFOXPIYHB-OGLMXYFKSA-N 444.579 5.994 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3F)n2/N=C/c2ccccc2F)cc1 1874373080 GRYOCKHWJBMPHC-JFLMPSFJSA-N 434.515 5.630 30 10 IKEE Cc1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SCc2cccc(F)c2)cc1 1874374896 SXSLXODSJKXHKC-JFLMPSFJSA-N 434.515 5.630 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3F)n2/N=C/c2cccs2)c1 1874375909 UKJGTXKIDXHCNW-AFUMVMLFSA-N 436.581 5.861 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccccc2)n1/N=C/c1ccccc1C(=O)O 1874395832 WRSAEJSOBRRKQT-CVLFLDGLSA-N 442.544 5.303 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(CC3CCCCC3)n2/N=C/c2ccccc2)cc1 1874406437 JOGGSOGJUWJYNW-YZSQISJMSA-N 447.608 5.322 30 10 IKEE Cc1ccccc1CSc1nnc(-c2ccccc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874426111 RRHWHNXUVHUATO-MTDXEUNCSA-N 440.616 6.726 30 10 IKEE Clc1ccc(CSc2nnc([C@H]3CCCO3)n2/N=C/c2cccs2)cc1Cl 1874450780 JJWOHKMGPHIBML-PPAWOMOGSA-N 439.393 5.672 30 10 IKEE O=[N+]([O-])c1cccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2-c2ccco2)c1 1874468751 WKHUCRBJUGJEIO-WSDLNYQXSA-N 439.884 5.274 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1c(OC)ccc2ccccc12 1874475470 BQJZBPIRYMNEQF-WPWMEQJKSA-N 444.604 6.265 30 10 IKEE Cc1cccc(CSc2nnc(C3CCC3)n2/N=C/c2ccc(C(F)(F)F)cc2)c1 1874493974 OECUUSRUHBESNM-LGJNPRDNSA-N 430.499 6.047 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CCC2)c1 1874497776 ZUPPBDKXHKUJAD-WYMPLXKRSA-N 447.391 6.036 30 10 IKEE CCCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1/N=C/c1ccccc1Cl 1874507820 WYBLOKIQJPWTCX-ZMOGYAJESA-N 441.988 5.114 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2CC)cc1 1874572360 JNLXWWZLFALMLL-FYWRMAATSA-N 447.962 6.378 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)c(C)c1 1874590044 QDBSBRLNHSOETJ-UXBLZVDNSA-N 435.907 6.649 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCc3c(F)cccc3Cl)c([N+](=O)[O-])c2)cc1 1874605092 PPCIMHUFSVSILI-XYOKQWHBSA-N 439.870 6.425 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c([N+](=O)[O-])c2)cc1C 1874606840 JHANJDPBBSLBMU-BJMVGYQFSA-N 448.431 5.295 30 10 IKEE CCOc1c(Br)cc(/C=C/C(=O)c2cc(C)ccc2C)cc1Br 1874617925 AFHIVPILYXVHQN-BQYQJAHWSA-N 438.159 6.123 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1OC(=O)c1cc2ccccc2n1C 1874699831 ORWZHRFQJNMJRZ-YRNVUSSQSA-N 447.437 5.580 30 10 IKEE CCOc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3cc(Cl)ccc3OC)c2)cc1 1874717962 HQXOHQSOIDRBMF-NTUHNPAUSA-N 436.891 5.863 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(C)cc2C)CSc2nnc(CC(C)C)n21 1874891040 YDURQUUPZVXCDD-QFIPXVFZSA-N 442.673 6.156 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1cccnc1 1875082575 IDCLPCUDLBAJIC-OQLLNIDSSA-N 435.479 5.873 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(Cl)c1OC(=O)c1cnccn1 1875094797 JFZMVCDMVAEVFZ-RMKNXTFCSA-N 444.874 5.407 30 10 IKEE O=C(Cc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1Cl 1875097267 CAHLNPVSLUWZQO-GXDHUFHOSA-N 430.931 6.263 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3cccs3)c(OC)c2)c1 1875101792 QYLLORIQOXMMFZ-CMDGGOBGSA-N 428.893 5.534 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(Cl)cc3)c(OC)c2)cc1 1875101804 RGHUKYUNANJTQZ-RIYZIHGNSA-N 434.919 5.955 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc4ccccc34)c(OC)c2)c1 1875104145 IQONUWDRZACTKO-FYWRMAATSA-N 438.479 5.972 30 10 IKEE O=C(Cc1ccc(Cl)cc1)Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1Cl 1875113696 TZSJPDCOECCTNO-YRNVUSSQSA-N 445.729 6.691 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OC 1875134381 QCXIHUVYPPCLSJ-SDNWHVSQSA-N 444.527 5.755 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OC(=O)CC(C)(C)C 1875149061 WJTFNTVBQRPPFL-MDWZMJQESA-N 442.983 6.884 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc(Cl)c2)c(Cl)c1)c1ccc2c(c1)OCO2 1875149880 MHTZPFHSDLDGRR-QPJJXVBHSA-N 441.266 5.837 30 10 IKEE COc1cccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2Cl)c1 1875158271 NPHXWZRHGNJLBL-VZUCSPMQSA-N 440.854 5.368 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(Br)c3)cc2)cc1C 1875175939 OKCJLIKFIPBHIV-UKTHLTGXSA-N 435.317 6.181 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3cc4ccccc4n3C)cc2)cc1C 1875187339 ZKLSLGYVPYTOGO-SDNWHVSQSA-N 439.511 5.919 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1OC 1875191397 KEEOYMPTZLPDQJ-VMPITWQZSA-N 427.711 6.257 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1)c1ccc2c(c1)OCO2 1875191664 XUSNPJPZHKQOLP-YCRREMRBSA-N 441.266 5.837 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1Cc2ccccc2N1C(=O)OC(C)(C)C 1922076204 CSMQNJNYRYYCLP-JWQCQUIFSA-N 436.596 5.494 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 1944566013 NOPPWCKGRPLAGX-UUOWRZLLSA-N 435.609 5.533 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C(F)(F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2012268252 PSHUIHMKNJYVES-RTWAWAEBSA-N 438.559 5.020 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]([C@@](C)(C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)C1 2023584461 JIIGCNUBGMAVFH-SEPYTNNBSA-N 449.617 5.461 30 10 IKEE C=CCN(CC[C@H](NC)c1c(Br)ccc(Cl)c1F)C(=O)OC(C)(C)C 2037960061 IRYDYKRNIVSTAD-AWEZNQCLSA-N 435.765 5.315 30 10 IKEE CCOc1cc(C=CC(=O)Oc2cccc(C#N)c2)ccc1OCCOc1ccc(F)cc1 2042442277 MBUTYJJZRUZUQA-UHFFFAOYSA-N 447.462 5.173 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](O)Cc1cc(Cl)c(C)c(Br)c1 2048503440 LLEWWKCSMVJQFH-DLBZAZTESA-N 432.786 5.174 30 10 IKEE C=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@H](OC(=O)Nc1ccccc1)c1ccnc2ccc(OC)cc12 2060425031 WAGNPFQJAGQEKD-XOSANVASSA-N 443.547 5.430 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCN(C(=O)OC(C)(C)C)C[C@@H]1C 2070605726 RJVHENNEUJSUPC-UQBPGWFLSA-N 443.588 5.666 30 10 IKEE CC(C)c1nn([C@@H](c2ccc(C(F)(F)F)cc2)C(C)(C)C)c(Br)c1C#N 2079843385 GNUJAQITABEYJS-INIZCTEOSA-N 428.296 6.295 30 10 IKEE N#Cc1c(C(F)(F)F)nn2c(Cl)cc(-c3ccc(C(F)(F)F)c(Cl)c3)nc12 2081164553 WXXSQXWRFVBHFA-UHFFFAOYSA-N 425.119 5.612 30 10 IKEE C=CCN(C[C@@H](NCCC)c1c(Br)ccc(Cl)c1F)C(=O)OC(C)(C)C 2098958315 GGFJORRYBJBDCN-OAHLLOKOSA-N 449.792 5.705 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)c(Br)c1F)NCC 2110508244 AMXSPKJQVVFKCB-CABCVRRESA-N 449.792 5.232 30 10 IKEE CC1(C)CC2(CC2)C[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Br)c2)C1 2146888880 FTHVMZITLVVMEC-JOCHJYFZSA-N 433.390 6.443 30 10 IKEE C=CCN(CC[C@@H](NCCC)c1c(F)cc(Br)cc1F)C(=O)OC(C)(C)C 2155516925 OUGXJLPKWVDARH-QGZVFWFLSA-N 447.364 5.581 30 10 IKEE C=CCCC[C@@H](NCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229119309 BRRBYQKJSXMIOX-MOPGFXCFSA-N 425.411 5.219 30 10 IKEE C=CCC1(NCc2sc(C)c(C)c2Br)CCN(C(=O)OC(C)(C)C)CC1 2229227096 ORXSQBUBELLGCM-UHFFFAOYSA-N 443.451 5.563 30 10 IKEE Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)Nc1cc(Br)ccc1C#N 2237309686 CERLSCMBDOPPRM-UHFFFAOYSA-N 430.302 5.229 30 10 IKEE C=C1CCC(C[C@@H](N)[C@H](Cc2cccc(Br)c2)NC(=O)OC(C)(C)C)CC1 2237400322 WGEVROCBYYXXQA-UXHICEINSA-N 437.422 5.349 30 10 IKEE C=C([C@H](NCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)C(C)(C)C 2237417108 KYULJMWHRMGCRY-OALUTQOASA-N 439.438 5.465 30 10 IKEE C=CCC[C@H](C)[C@H](NCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237418039 DLQYKWPWMGXRNU-VDGAXYAQSA-N 439.438 5.465 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2257339278 KBGQXZSQAGWLRP-VSTWWDQDSA-N 447.620 5.532 30 10 IKEE C=CCCC1([C@H](NCCC)c2sc(Cl)nc2Cl)CN(C(=O)OC(C)(C)C)C1 2281051832 XWRPNWOHOLCIMJ-CQSZACIVSA-N 434.433 5.694 30 10 IKEE CN[C@@H](C#Cc1ccc(Br)cc1)c1cc(F)cc(NC(=O)OC(C)(C)C)c1 2296297613 ARXWIECUSDZOTI-IBGZPJMESA-N 433.321 5.247 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3cc(OCc4ccccc4OC)ccc3C1=O)cn2C 2296586615 XVVWITMAFLNCAT-UHFFFAOYSA-N 441.483 5.391 30 10 IKEE CCCN(CCC)Cc1c(O)ccc2c1OC(=Cc1cn(C)c3ccc(OC)cc13)C2=O 2296597311 CWPWWNGWKLOONA-UHFFFAOYSA-N 434.536 5.131 30 10 IKEE O=C(C=Cc1ccc(-c2c(Cl)cccc2Cl)o1)c1ccc(-c2ccc(F)cc2)o1 2314482807 WOZLSGFMMYJEJW-UHFFFAOYSA-N 427.258 7.549 30 10 IKEE Cc1cccc(N=C2SC(=Cc3ccccc3OCc3ccccc3Cl)C(=O)N2C)n1 2314539761 AFUCSRLFVLYWHN-UHFFFAOYSA-N 449.963 5.856 30 10 IKEE O=C(O)c1cccc(N=C2SC(=Cc3ccc(Cl)cc3)C(=O)N2C2CCCCC2)c1 2314546967 ALXCURHREGDIEP-UHFFFAOYSA-N 440.952 5.975 30 10 IKEE Cc1cccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2Cl)c1 2318571692 QAUQBECLLBFMKB-UHFFFAOYSA-N 432.980 6.005 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccccc1C(F)(F)F 2318571795 SOQREIMEIUNLGH-UHFFFAOYSA-N 445.297 6.087 30 10 IKEE CC(C)(C)Cc1nnc(S)n1N=Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1 2321937302 UHOKQIURHXMBBD-UHFFFAOYSA-N 449.407 5.923 30 10 IKEE CCCCCN1COc2ccc3c(c2C1)OC(=Cc1cn(CC)c2ccc(OC)cc12)C3=O 2322051020 PUDGUKCPPRJXQO-UHFFFAOYSA-N 446.547 5.628 30 10 IKEE CCc1ccc([C@@H](C)N2COc3ccc4c(c3C2)OC(=CC=Cc2ccccc2)C4=O)cc1 2322260178 NYAFDENCJFPZRA-HXUWFJFHSA-N 437.539 6.335 30 10 IKEE O=C(COc1ccccc1C=CC(=O)c1ccc2c(c1)CCCC2)Nc1ccccc1F 2322328588 BURCRPJPDORCRT-UHFFFAOYSA-N 429.491 5.618 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Br)ccc2OCC(=O)OCC(C)C)cc1 2322353432 LNMZSEUNFDJDOR-UHFFFAOYSA-N 445.353 5.486 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCc2nc(O)c3ccccc3n2)cc1C 2322401764 PUYGPJSYHCMPFH-UHFFFAOYSA-N 426.472 5.128 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(F)cc1)C3=O)CN(CCCc1ccccc1)CO2 2322427163 FBGCPZAHNPTOHV-UHFFFAOYSA-N 429.491 5.535 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1cccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)c1 2323098347 ZGIKBBKRBUTJFO-UHFFFAOYSA-N 430.460 5.125 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1OCc1ccc(Cl)cc1Cl 2323126259 MIYZXJXNIPIYDR-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OC(=O)CCCOc3ccccc3)ccc2C1=O 2323177670 ZTNQIBIFGXTIKB-UHFFFAOYSA-N 444.483 5.466 30 10 IKEE O=C1C(=Cc2ccccc2Cl)Oc2cc(OC(=O)c3cccc4ccccc34)ccc21 2323472582 RPICGTRCPBUSMA-UHFFFAOYSA-N 426.855 6.329 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 2323511675 DBBVYIUSVWKYIS-UHFFFAOYSA-N 440.326 6.215 30 10 IKEE CCCOC(=O)COc1ccc(C=CC(=O)c2ccccc2Cl)cc1Br 2323603524 PASDDCQCXRWSPR-UHFFFAOYSA-N 437.717 5.331 30 10 IKEE O=C(C=Cc1ccc(OCc2c(F)cccc2Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 2323675236 STLFMCGWUISSNE-UHFFFAOYSA-N 446.261 6.516 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OCc1ccc(C(=O)OC)o1 2323739176 PRSGPEDPCTVDBS-UHFFFAOYSA-N 442.414 5.218 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OCc1ccc(F)cc1 2323865805 FBESUDHMPIUFET-UHFFFAOYSA-N 430.519 6.655 30 10 IKEE COc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1cccc(Cl)c1)C2=O 2324472388 HISKMBAOGDYCSW-HNNXBMFYSA-N 449.890 5.371 30 10 IKEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3c(C)cc(C)cc3C)cc2Cl)o1 2324546008 RETBBVGYGUYEIF-UHFFFAOYSA-N 438.907 6.120 30 10 IKEE Cc1cc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1ccccc1)O2 2324610001 SVMRXXVPWWHLRM-MRXNPFEDSA-N 433.891 5.671 30 10 IKEE COc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3cccc4ccccc34)cs2)cc1OC 2324637732 OQJQBSLIRQIAFJ-NRFANRHFSA-N 440.524 5.870 30 10 IKEE CCc1ccc(C=CC(=O)C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 2325490335 CMWRWXOEZPXKDS-UHFFFAOYSA-N 426.541 6.055 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C(C)(C)C)cc4)ccc3C2=O)cc1 2325552485 YLLPGTYHRVGZEZ-UHFFFAOYSA-N 441.527 5.926 30 10 IKEE Cc1ccccc1NC(=O)COc1ccc2c(c1)OC(=Cc1c(F)cccc1Cl)C2=O 2325713550 ODDLBIBJVHLVPS-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OCC(=O)Nc3ccccc3C(C)C)ccc2C1=O 2325726041 WOFAMOQQSZWSNW-UHFFFAOYSA-N 433.529 5.814 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccc(C)c(C)c3)ccc2C1=O 2325738441 FKFOITXKQQBQCB-UHFFFAOYSA-N 443.499 5.336 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)COc2ccccc2)c1 2325763988 IZJZLFZKDGKOGF-UHFFFAOYSA-N 436.891 5.538 30 10 IKEE O=C(C=Cc1cc(Br)c(O)c(Br)c1)c1ccc2ccccc2c1 2325790212 DCUANRJNESTLAE-UHFFFAOYSA-N 432.111 5.967 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1cccc(F)c1 2325951490 KCAHNPCAEHWWMS-UHFFFAOYSA-N 445.361 5.321 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cc(Cl)c(O)c(Cl)c1 2326356911 PFICOXHSICUSMD-UHFFFAOYSA-N 441.771 5.681 30 10 IKEE CSc1nnc(COCc2ccccc2)n1N=Cc1ccc(OCc2ccccc2)cc1 2329302351 VFKLHZHPBLCATB-UHFFFAOYSA-N 444.560 5.178 30 10 IKEE Cc1ccc(CSc2nnc(CCc3ccccc3C)n2N=Cc2ccccc2O)cc1 2329465451 JMRKXKZNHKGXHS-UHFFFAOYSA-N 442.588 5.560 30 10 IKEE CN(C)c1ccc(C=Nn2c(SCc3ccccc3)nnc2-c2ccccc2Cl)cc1 2329573005 QNOJIENFWBSQSV-UHFFFAOYSA-N 447.995 5.839 30 10 IKEE Cc1ccc(CSc2nnc([C@@H](C)c3ccccc3)n2N=Cc2ccc(O)c(O)c2)cc1 2330050874 PNQXANHEOGFERK-SFHVURJKSA-N 444.560 5.324 30 10 IKEE Cn1cccc1C=Nn1c(CC2CCCCC2)nnc1SCc1ccc(Cl)cc1 2330283283 YLYMTPHGXMAXIO-UHFFFAOYSA-N 428.005 5.567 30 10 IKEE CCSc1nnc(Cc2ccccc2)n1N=Cc1ccc(OCc2ccccc2C)cc1 2330476960 PWUCECNHUQMKDY-UHFFFAOYSA-N 442.588 5.751 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2330979731 WBAAPBHDAMDIMD-UHFFFAOYSA-N 447.443 5.117 30 10 IKEE CCCCOc1ccc(C=Nn2c(SCCC)nnc2C2CCCC2)cc1OCC 2331084084 CDAQXTYARXZQOF-UHFFFAOYSA-N 430.618 5.898 30 10 IKEE O=[N+]([O-])c1ccccc1C=Nn1c(SCc2cccc(Cl)c2)nnc1C1CCCC1 2331092589 YWXLSIIYDCMYMX-UHFFFAOYSA-N 441.944 5.672 30 10 IKEE Cc1ccsc1C(=O)Oc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] 2331125996 ZYHMAAJQACJAIC-UHFFFAOYSA-N 427.865 5.733 30 10 IKEE Oc1ccc(Cl)cc1C=Nn1c(SCc2ccccc2Cl)nnc1C(F)(F)F 2331141330 SRVVSNVVDSMJGA-UHFFFAOYSA-N 447.269 5.484 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2[N+](=O)[O-])cc1 2331170288 XMNWQRIDTINJNN-UHFFFAOYSA-N 445.471 5.564 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)c1ccc(OC)c(OC)c1 2331179105 BNBPNGNZCDMIBA-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)[C@H]1C[C@@H]1c1ccccc1Cl 2331293633 JIKLVTDFFZTCFZ-YADHBBJMSA-N 446.930 6.262 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3[N+](=O)[O-])c(Cl)c2)c1 2331319706 ZZSKPCIGNZQDDU-UHFFFAOYSA-N 449.890 5.909 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CC(C)(C)C)c(Br)c2)cc1F 2331456939 YMPQKCMOTMNTIJ-UHFFFAOYSA-N 449.316 5.835 30 10 IKEE CC(C)Cc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccccc1Cl 2331464173 HPBOJYMJIOBHTK-UHFFFAOYSA-N 434.996 6.458 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2C2CCC2)cc1 2331498092 IBTSDAVZFUJZLJ-UHFFFAOYSA-N 448.636 6.598 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1ccccc1OC 2331510106 YDPBUOMFDKCJPU-UHFFFAOYSA-N 430.500 5.943 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)c1cccnc1 2331553072 QMQMLEJWLQSFSV-UHFFFAOYSA-N 429.806 5.137 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2cccc(C)c2)c(Cl)c1 2331662010 RLPAXRGSKIGMLW-UHFFFAOYSA-N 434.919 6.389 30 10 IKEE CC(C)c1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(C(C)(C)C)cc1 2331716275 JCEVBBLNNKWHDR-UHFFFAOYSA-N 445.007 6.666 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)[C@H]1CCCO1 2331762535 JTDRLKOMZXEXJY-HXUWFJFHSA-N 428.912 5.254 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3C)cc2)cc1Cl 2331818792 VOQAQNDWPINMEB-UHFFFAOYSA-N 434.919 6.091 30 10 IKEE COCC(=O)Oc1c(Cl)cc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1OC 2331859153 RYXAWZICQCTTQW-UHFFFAOYSA-N 429.683 5.103 30 10 IKEE CCOC(=O)/C(=N/Nc1cc(C(F)(F)F)ccc1Cl)N1c2ccccc2C[C@@H]1C 3179818 RBZDMPNHKBUYND-FULAFNBWSA-N 425.838 5.099 30 10 IKEE Cc1ccc(C(C)C)c(OCC(=O)Nc2c(C#N)cnn2-c2cc(C)c3ccccc3n2)c1 12240097 KMFASENEMHQIBZ-UHFFFAOYSA-N 439.519 5.050 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O)c1ccc(Br)cc1 33367617 ZKYCCLDWBGOQMA-KACMKLLYSA-N 447.284 5.841 30 10 IKEE C=CCNC(=S)N1N=C2/C(=C\c3ccc(OC)cc3)CCC[C@H]2[C@@H]1c1ccc(OC)cc1 33937490 KUDIFHJEAAEZSH-ASXJCECHSA-N 447.604 5.361 30 10 IKEE CCOc1ccc(/N=C2/NC(=O)S/C2=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)cc1 35517339 YOPXWPGDGDDAAF-MOSHPQCFSA-N 434.473 5.571 30 10 IKEE Cc1c(/N=N/c2cccc(Cl)c2Cl)c(O)n([C@@H](C)c2ccccc2)c(=O)c1C#N 39870642 HYDQMMVYPKLCCA-UYKKPGFNSA-N 427.291 6.066 30 10 IKEE C#CCn1c(CCCCCNC(=O)Cc2ccc(-c3ccccc3)cc2)nc2ccccc21 40222417 YTNBNTWLNVBCLP-UHFFFAOYSA-N 435.571 5.408 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN(Cc2ccc(C)cc2)C3)C1=O 41587396 QJGWJVNXJGOUNN-QFEZKATASA-N 441.527 5.670 30 10 IKEE CCc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccc(OC)cc2)C4)cc1 41648157 WQIQHDRFJKDQOR-QFEZKATASA-N 441.527 5.534 30 10 IKEE CC1(C)CCCN(c2nc(C#N)c(N3CCCCC3)c3c2CN(Cc2ccccc2)CC3)C1 96592229 DVFNPTAGTUPQRD-UHFFFAOYSA-N 443.639 5.128 30 10 IKEE CCCCCCCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(C)cc2)c1 98021541 FHPSOKBBPOOFQB-AREMUKBSSA-N 438.637 6.853 30 10 IKEE C=C(C)COc1ccc(NC(=S)NC(=O)c2ccc(OCCCCCCC)cc2)cc1 100232077 YEEFQUMRVNCOKJ-UHFFFAOYSA-N 440.609 6.118 30 10 IKEE C=CCOc1ccccc1NC(=S)NC(=O)c1ccc(OCCCCCCC)cc1 100232585 WGVHURXRJIOCBQ-UHFFFAOYSA-N 426.582 5.727 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)S/C1=N/c1cccc(C(=O)O)c1 101132304 XQHOITCUPSUYQG-DBPHPPTCSA-N 438.892 5.532 30 10 IKEE CCCCCCCCCCCCn1c(CCNC(=O)c2cccs2)nc2ccccc21 102137912 RJGKBUXEFJTPOL-UHFFFAOYSA-N 439.669 6.991 30 10 IKEE COc1cc(/C=N\Nc2nc(-c3ccccc3OC)cs2)ccc1OCc1ccccc1 169940522 LRFVHNSGSIOUQH-YSMPRRRNSA-N 445.544 5.852 30 10 IKEE CC(=O)Nc1ccc(-c2csc(N/N=C\c3cccc(OCc4ccccc4)c3)n2)cc1 169940939 CGHLRZQWJOQGFJ-YSMPRRRNSA-N 442.544 5.794 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccs2)cc1 169988713 UGRPAUALTIEIPQ-HXUWFJFHSA-N 439.920 5.189 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccncc2)cc1 170016701 ADMHMTALGZGSIE-SANMLTNESA-N 448.522 6.141 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccc(OCC)c2)cc1 170036412 WEBLEGGVWJSZIB-DEOSSOPVSA-N 443.499 5.267 30 10 IKEE CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2ccccc2)cc1 170053312 PQICCGOJUGNZDD-DEOSSOPVSA-N 440.499 5.045 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccc(Cl)cc2)cc1 170058739 POSNWSJSYRQGIO-JOCHJYFZSA-N 432.907 5.076 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2cccc(O)c2)cc1 170081415 MOXDETQHZAJQML-JOCHJYFZSA-N 433.891 5.391 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1c1ccccc1 170122359 QMZNGPUZVPMBRP-XMMPIXPASA-N 443.499 5.265 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2cccnc2)cc1C 170190558 AFWFIVNQNIRDDW-XMMPIXPASA-N 442.515 5.107 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccncc2)cc1 170203426 JRTVDXNIOVEGQD-DEOSSOPVSA-N 442.515 5.434 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@H]1c1cccc2ccccc12 170220786 KQTZIPYSCXDOSE-HSZRJFAPSA-N 449.934 5.880 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(C(C)C)cc2)cc1 170246253 DHAIWZPXLRERSA-VWLOTQADSA-N 447.575 6.118 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2F)cc1 170248237 VBVUWMWLLXQKOX-QHCPKHFHSA-N 449.453 5.535 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1c1ccc(C#N)cc1 170272753 UEIKSFKJCFQPPG-SANMLTNESA-N 448.522 5.528 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(C)o2)cc1C 170298161 YVLJOMYDAHGREQ-NRFANRHFSA-N 437.517 5.135 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(C)o2)cc1 170300690 ATFQNJWEZJDZSF-QHCPKHFHSA-N 427.456 5.680 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cccc(OCC)c2)cc1 170359543 WSYXUZGFFTZOQT-JOCHJYFZSA-N 449.528 5.328 30 10 IKEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2c[nH]c3ccccc23)cc1 170383018 YEXCWVDUQCXRPE-DEOSSOPVSA-N 437.499 5.017 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1 170421493 SDEVJXWPBRKLOO-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cc(C)ccc2O)cc1 170454215 IDBHBOLLTGKPIQ-QFIPXVFZSA-N 436.552 5.062 30 10 IKEE COc1ccc(N=C2S/C(=C/c3c[nH]c4ccccc34)C(=O)N2C2CCCCC2)cc1 252608174 HHSWCDIMZGCQOS-ZRAGWZJNSA-N 431.561 6.113 30 10 IKEE COc1ccc(OC)c(/C=C2/SC(=Nc3ccccc3)N(CCc3ccccc3)C2=O)c1 254344260 VDFSRGUKTMXNFI-ZNCAUEQNSA-N 444.556 5.551 30 10 IKEE C#CCOc1ccc2ccccc2c1/C=C1/SC(=Nc2ccccc2)N(CCOC)C1=O 254818762 GLMWMVMHVCLXCJ-ZNCAUEQNSA-N 442.540 5.102 30 10 IKEE C[C@H](OC(=O)CCc1ccccc1)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@]12C 256442075 LHPBUFXEIOLURH-XYQWYEAASA-N 434.620 6.309 30 10 IKEE C=CCN(C[C@@H](Cc1cc(Cl)ccc1Br)NCCC)C(=O)OC(C)(C)C 407504388 NDVPLJCMDRNXAO-QGZVFWFLSA-N 445.829 5.436 30 10 IKEE CC(C)COc1cccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)c1 526522264 QJRNCZSHASEATQ-RUZDIDTESA-N 442.490 5.789 30 10 IKEE Cc1ccc(SC2=C(Nc3ccccc3C#N)C(=O)N(c3ccccc3C)C2=O)cc1 526663073 PYZUFEHBPHVGJD-UHFFFAOYSA-N 425.513 5.164 30 10 IKEE Cc1ccccc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(Sc2ccc(Cl)cc2)C1=O 526665513 LBWZXXMHEVZLPW-UHFFFAOYSA-N 445.931 5.509 30 10 IKEE CCCCOc1ccc(/C=N\n2c(C)nnc2SCc2ccc(F)cc2)cc1OCC 526801692 ZRRPSDLLQYKYPD-MYYYXRDXSA-N 442.560 5.478 30 10 IKEE CCn1cc(/C=N\n2c(C)nnc2SCc2ccc(C(C)(C)C)cc2)c2ccccc21 526805461 KIWYOHAIUYFALQ-YSMPRRRNSA-N 431.609 6.033 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1cccc(Br)c1 526807163 LFOIONNGNBQZME-NHDPSOOVSA-N 435.778 5.431 30 10 IKEE CCCOc1ccc(/C=N\n2c(C)nnc2SCc2cccc(Cl)c2)cc1[N+](=O)[O-] 526811073 AIOGHICQRANCNF-UUYOSTAYSA-N 445.932 5.111 30 10 IKEE CCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccc(OC(C)(C)C)cc1 526811289 HCLKWJBZVQTCCD-OYKKKHCWSA-N 428.989 5.846 30 10 IKEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1ccc(C(F)(F)F)cc1 526813884 CWRPRYYWFRLFHB-OPVMPGTRSA-N 445.297 6.087 30 10 IKEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)C1(c2ccc(Cl)cc2)CCCC1 585254369 OHEXMFIHLTVELF-UHFFFAOYSA-N 435.873 5.369 30 10 IKEE C=CCNC(=O)c1cccc(NC(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)c1 586703369 GPOCIGGKTIEHIJ-UHFFFAOYSA-N 435.911 5.479 30 10 IKEE N#Cc1cc(NCc2cc(Br)c(Br)o2)ccc1Br 690194438 VCLDZRHIVJOBDF-UHFFFAOYSA-N 434.913 5.051 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1 698906002 WJBVEAKJRKRPGU-HOYKHHGWSA-N 429.561 5.418 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)C[C@H]2C)cc1 698959149 RXBDETDKNARIHX-KOSHJBKYSA-N 429.561 5.276 30 10 IKEE Cc1c(/C=C2\S/C(=N/C3CCCCC3)N(C3CCCCC3)C2=O)c2ccccc2n1C 1084148808 IJHRKCPPOUTLAB-LTUYXDACSA-N 435.637 6.424 30 10 IKEE Cc1ccc(N=Cc2ccc(Sc3nc4ccccc4c(=O)n3-c3ccccc3)o2)cc1 1084152230 ZWCWJNVZQLJRGQ-UHFFFAOYSA-N 437.524 6.189 30 10 IKEE Fc1c(F)c(C(F)(F)F)c(F)c(F)c1NN=Cc1ccc(OCc2ccccc2)cc1 1565518813 GOQDZYWEGURWJT-UHFFFAOYSA-N 442.334 6.287 30 10 IKEE Oc1c(Cl)cc(Cl)cc1/C=N/C[C@H]1CCC[C@@H]1/N=C/c1cc(Cl)cc(Cl)c1 1615949042 KSQUOYXSJBOHQJ-UCDUMAHQSA-N 444.189 6.713 30 10 IKEE O=C1[C@@H](Cc2cccc(C(F)(F)F)c2)SC(=Nc2ccccc2)N1c1ccccc1 1772727865 HONYHEWSZAQIGD-HXUWFJFHSA-N 426.463 6.084 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=Nc1nc(-c2ccccc2)cs1 1772734792 FPXSMXSDBZTPRX-VASVRFFCSA-N 433.558 5.609 30 10 IKEE C/C(=C1\SC(=Nc2cccc(C(=O)O)c2)N(C2CCCCC2)C1=O)c1cccc(N)c1 1772735510 JNFVDBVYGYFIPO-LLLXPECQSA-N 435.549 5.294 30 10 IKEE CCCCCCCOc1cccnc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 1858740860 CGURXJABBXGSTE-HNNXBMFYSA-N 425.356 6.144 30 10 IKEE COc1ccccc1NC(=O)Oc1cccc2c(NC(=O)c3cccc(C#N)c3)cccc12 1858779990 JLQQBPQWRNNDHW-UHFFFAOYSA-N 437.455 5.583 30 10 IKEE Cc1ccc(Cn2nc(C(=O)Nc3ccc(C#N)cc3)c(Cl)c2-c2ccccc2)cc1 1859381695 WWCCMPQDMZJANQ-UHFFFAOYSA-N 426.907 5.684 30 10 IKEE O=C(/C=C/c1cccc(Cl)c1Cl)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 1860727405 LOGVXNWVWIUVJB-PKNBQFBNSA-N 446.717 6.660 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](C)NC(=O)Cc1cc(Cl)ccc1SCC 1861003339 GOUQDIRTRDQZHU-SFHVURJKSA-N 441.081 5.756 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2ccc(Cl)cc2)cc1 1862391881 KOLOSCXDYYTEBX-KSFYIVLOSA-N 425.956 6.059 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccc(O)cc2)cc1C 1862400399 CZQQUYFALTXIMI-MZNJEOGPSA-N 443.499 5.049 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc2cc[nH]c2c1)c1ccc(F)cc1F 1862415446 XLDTWWKCNUHNQA-HSZRJFAPSA-N 444.437 5.225 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@@H]2c2ccccc2)c1 1862429289 JWJNETWMKXZLAY-QHCPKHFHSA-N 431.919 5.735 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CCCCC2)cc1 1862433342 ZSUZBUTTZADZNA-HSZRJFAPSA-N 437.967 6.374 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(C(C)C)cc1 1862464043 NFUFFHCVJBTJIE-ZSEKCTLFSA-N 431.454 5.604 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2cccc(F)c2)cc1 1862489348 VCAVIJXTXKKNJB-DEOSSOPVSA-N 429.491 5.529 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2ccccc2C)cc1 1862533418 MGZAWFHVVSFVKT-HSZRJFAPSA-N 431.557 5.440 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(N(C)C)cc1 1862546146 QTSCCCVZHNHEMF-OSPHWJPCSA-N 432.564 5.008 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccccc1Cl 1862561076 PQKLFIMODBLEGI-PGRDOPGGSA-N 440.971 5.859 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(O)cc2)cc1 1862613642 LWESNGHXZOGYOL-DEOSSOPVSA-N 447.575 5.991 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccccc1 1862621186 KEFZPQUBGCDWPU-AUSIDOKSSA-N 435.520 5.353 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(Cl)cc1Cl 1862622281 CPMQTXJOZRDSNT-HXUWFJFHSA-N 446.374 6.279 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 1862665974 SLFBGSKESXCSPP-HSZRJFAPSA-N 448.519 5.629 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2c(Cl)cccc2Cl)cc1 1862667844 LDXBUHWGHAGVJX-XCLFUZPHSA-N 448.346 5.076 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 1862675219 FASBDVVVFOKIDD-QHCPKHFHSA-N 449.909 5.609 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccccc2Cl)c1 1862700469 GYLAWCMIIYTBRU-WAIKUNEKSA-N 447.918 5.688 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(F)cc3Cl)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862896630 XXWWOESCJBALOU-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(Cl)cc3Cl)C2=O)cc1 1862900376 KLMKZLFPUIYVCS-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(F)cc3)C2=O)cc1 1863146471 YPXMSRMZIFBYQY-QGZVFWFLSA-N 439.490 5.213 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2nc3ccccc3[nH]2)=C(c2ccc(C)cc2)C1=O 1863621545 QKXQURYCLUPAEN-UHFFFAOYSA-N 444.579 5.102 30 10 IKEE CCCCCCCCNC1=C(c2cc(Cl)ccc2Cl)C(=O)N([C@H](C)CC)C1=O 1863728481 CMQQIIZGVQNRSZ-OAHLLOKOSA-N 425.400 5.822 30 10 IKEE N#Cc1nnn(Cc2cccc3ccccc23)c1NC(=O)/C=C/c1ccc(Cl)c(Cl)c1 1870106699 UFZOOADCLKQBQF-PKNBQFBNSA-N 448.313 5.310 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2Cl)c(CN(C)CCCC)cc1=O 1870409008 HNMCCSUFEXKKOA-UHFFFAOYSA-N 433.036 6.131 30 10 IKEE CCCCCCCOc1cn(C[C@H](C)O)c(CNc2ccc(N(CC)CC)cc2)cc1=O 1870836187 HUTVSBXUGZNNLP-NRFANRHFSA-N 443.632 5.037 30 10 IKEE CCCCCCCOc1cn(CCCCCCO)c(CNc2cccc(C)c2C)cc1=O 1870839728 WLLLKVXLLGVZIY-UHFFFAOYSA-N 442.644 5.979 30 10 IKEE C#CCOc1cn(CCCCCCCC)c(CNc2cccc(C(F)(F)F)c2)cc1=O 1871006913 BHSPCDLENKTYSG-UHFFFAOYSA-N 434.502 5.852 30 10 IKEE CCCCCCCCNC(=O)[C@H](Oc1ccc(C)cc1Br)c1ccccc1 1871276398 FPMJPMLBIHGJIF-JOCHJYFZSA-N 432.402 6.354 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc4c3CN(CCOc3cc(C)cc(C)c3)CO4)C2=O)c1 1871347131 AHMXGJNQAYTWLU-YSMPRRRNSA-N 441.527 5.459 30 10 IKEE CCc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCCCN2CCCC2)C4)cc1 1871348476 HRMVOZBYNQRFST-UQQQWYQISA-N 446.591 5.202 30 10 IKEE Cc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2cc(C)ccc2C)C4)cc1 1871349015 NHZJFHHTDZCHAF-MXAYSNPKSA-N 425.528 5.889 30 10 IKEE COc1ccc([C@@H](C)N2COc3cc(C)c4c(c3C2)O/C(=C\c2cccc(F)c2)C4=O)cc1 1871354747 ZRDQUVJHIVPVBB-ZKDCOOFMSA-N 445.490 5.672 30 10 IKEE Cc1c(OC(=O)/C=C/c2ccc(F)cc2)ccc2c1O/C(=C\c1ccc(Cl)cc1)C2=O 1871365828 GILKEXFFCPQJPF-ZSFYTNPESA-N 434.850 6.023 30 10 IKEE COc1ccc(CC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)cc1OC 1871374260 APRUCCGZAKMLDU-MSXFZWOLSA-N 444.483 5.085 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O 1871376577 RNZUHXSADHLMDS-QFEZKATASA-N 440.882 6.258 30 10 IKEE Cc1c(OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)ccc2c1O/C(=C\c1ccccc1)C2=O 1871377653 WKRIYLBMCJGCIH-OVXMHFCVSA-N 427.412 5.138 30 10 IKEE Cc1cc(OC(=O)c2cccc3ccccc23)cc2c1C(=O)/C(=C/c1cccc(Cl)c1)O2 1871378118 VVQMADPLCABDKM-OYKKKHCWSA-N 440.882 6.637 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OC(=O)CCOc3ccccc3)ccc2C1=O 1871384245 NETSCNYAWKPPHI-JLPGSUDCSA-N 430.456 5.076 30 10 IKEE Cc1cc(O)c(CN2CCCC[C@H]2CCO)c2c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O2 1871395877 AAXMMXPSUZKZAX-MVUTXWCHSA-N 449.591 5.351 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4c(C)cc(C)cc4C)ccc3C2=O)cc1 1871402807 NCYZTPLTYVNSIW-FQOPDIHJSA-N 441.527 5.942 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(O[C@H](C)C(=O)Nc4ccccc4)c3C)C2=O)c1 1871404041 HGDQPYZYZRWWLA-XMSCMFJESA-N 429.472 5.026 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCCOc4ccc(C(C)(C)C)cc4)c3C)C2=O)o1 1871414232 CHWLHARZENKTHL-JLPGSUDCSA-N 432.516 6.268 30 10 IKEE Cc1cc(C)c(COc2ccc3c(c2C)O/C(=C\c2c(F)cccc2Cl)C3=O)cc1C 1871417647 OHDXYGZNCCWOFA-MSXFZWOLSA-N 436.910 6.908 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccc(Cl)cc3C)ccc2C1=O 1871454910 ZPSBBWJZRYVATJ-FMCGGJTJSA-N 449.890 5.291 30 10 IKEE C=CCN(CC=C)c1nc(=NCc2ccccc2Cl)nc(Nc2ccc(Cl)cc2)[nH]1 1871522535 NPKHSNJJOYMSRO-UHFFFAOYSA-N 441.366 5.134 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)CCCC 1872014916 NCEMZEGDIAXBAC-JOCHJYFZSA-N 436.662 5.489 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)cc3[N+](=O)[O-])n2)cc1C 1872765729 VVYKXSUGMBETRV-HNNXBMFYSA-N 427.869 5.179 30 10 IKEE COc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 1872779100 BMZALVIOBMXKDL-QHCPKHFHSA-N 440.524 6.030 30 10 IKEE CCCOc1ccccc1NC(=O)c1ccc(CSc2nc(C)c(C)c(C)c2C#N)cc1 1872895515 YVTYYKNKZDVURB-UHFFFAOYSA-N 445.588 6.212 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2OC)C(=O)N(CCCCCCCC)C1=O 1873153086 VFJWBVTYEMYQLD-UHFFFAOYSA-N 442.644 6.086 30 10 IKEE C=CCOc1ccc(-c2nonc2NC(=O)CCCOc2ccc(C(C)(C)C)cc2)cc1 1873438584 BJZVDKLZCHLEDY-UHFFFAOYSA-N 435.524 5.397 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1cccc(F)c1)n2CCC 1873619450 BCGYGOIZRKPJMA-UHFFFAOYSA-N 425.552 6.005 30 10 IKEE CCc1ccc(OCCCc2nnc(SC)n2/N=C/c2c(Cl)cccc2Cl)cc1 1874223332 GJUVWLUAILEADZ-ZVHZXABRSA-N 449.407 5.763 30 10 IKEE COc1ccccc1CCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccccc1 1874312973 WLZKYACTXLXDGY-WPWMEQJKSA-N 446.551 5.386 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(SCc2cccc(C)c2)nnc1-c1ccccc1 1874426907 GZVRKIWBDOQADX-OVVQPSECSA-N 440.572 5.993 30 10 IKEE C(=N/n1c(SCCc2ccccc2)nnc1[C@H]1CCCO1)\c1cccc2ccccc12 1874449254 XUSUMKBSYBBVIZ-ZCBHOAFYSA-N 428.561 5.500 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2cccc(F)c2)nnc1C(F)(F)F 1874460836 IUSFVOHADJSKGI-BRJLIKDPSA-N 438.450 5.399 30 10 IKEE CCCCc1nnc(SCc2ccccc2C)n1/N=C/c1cccc(Br)c1 1874476468 NBMWEUOVCFYCDI-OEAKJJBVSA-N 443.414 5.866 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1cc(Cl)ccc1O 1874485276 MQMMKAYETCAOLZ-FOKLQQMPSA-N 435.380 5.763 30 10 IKEE Cc1cccc(C)c1NC(=O)CSc1nnc(C)n1/N=C/c1ccc(Cl)c(Cl)c1 1874532503 MPDDQNRHLPSKQN-AUEPDCJTSA-N 448.379 5.123 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)NCc2ccccc2)cc1 1874579732 FRILUXAGWPZTKG-SAPNQHFASA-N 429.516 5.067 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2c(OCC(=O)N(CC)CC)ccc3ccccc23)cc1 1874580035 VDFRBDGHTLVWNN-WUKNDPDISA-N 445.559 5.772 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(C)cc2)c1OCC(=O)N[C@@H](C)c1ccccc1 1874580128 YSSLCWOORHPVRW-NIQRWSHPSA-N 429.516 5.156 30 10 IKEE O=C(/C=C/c1cc(Br)ccc1OCc1ccccc1F)c1ccc(F)cc1 1874583773 FZDNVZCBIZPSQT-YRNVUSSQSA-N 429.260 6.202 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1)c1ccc2ccccc2c1 1874602378 JBJWIHHDBWXXIT-UKTHLTGXSA-N 433.334 7.622 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)cc1OC 1874602917 GNBNGFBQZOYGLK-GXDHUFHOSA-N 445.515 5.234 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3ccccc3C)c(OC)c2)cc1 1874606187 BDTWKFYDSNYRQG-SAPNQHFASA-N 444.571 6.830 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)cc(Cl)c1OCc1ccc(F)cc1 1874611172 FFXIRZAHFJTSGA-JLHYYAGUSA-N 440.898 6.362 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)c(Cl)c1 1874619615 JXNKZLPRALQZSW-YRNVUSSQSA-N 449.934 5.879 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OCC(=O)Nc1ccccc1 1874620280 RPRUHYRXIKQDJH-UKTHLTGXSA-N 433.479 5.446 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OCc1ccc(F)cc1 1874626938 DJPGHLYPABUZSA-XYOKQWHBSA-N 448.534 6.750 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3ccc(C)c(C)c3)c2)cc1 1874695576 IVIDZISFDXADED-GHRIWEEISA-N 442.555 6.527 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)c1)c1ccccc1Cl 1874696772 LKCDMQORAVRLCO-BOZGQFBRSA-N 437.322 6.599 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2cccc(/C=C/C(=O)c3ccccc3Cl)c2)cc1 1874697099 TXBKYWDBCPSZHQ-DTQAZKPQSA-N 434.919 6.309 30 10 IKEE COc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc(C)cc3)ccc2OC)cc1OC 1874702835 LYEPNBXSVNYELA-KPKJPENVSA-N 432.472 5.136 30 10 IKEE CCc1ccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 1874707564 LEDJCBBTZUGEFW-CPNJWEJPSA-N 440.583 6.981 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1cccc(/C=C/C(=O)c2c(C)cc(C)cc2C)c1 1874716541 XIXROBKLVHYYNL-BUHFOSPRSA-N 444.527 5.891 30 10 IKEE C=CCN(CC=C)CCC(=O)c1cccc(OC(=O)COc2ccc(C)cc2C(C)(C)C)c1 1874732141 RPTIEXQOCFKERD-UHFFFAOYSA-N 449.591 5.524 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(Cl)c1OC(=O)c1cnccn1 1875096745 CLUJULRPNMOUIA-RMKNXTFCSA-N 448.906 5.133 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)CSc3ccccc3)c(OC)c2)c1 1875104227 MIDGEDNXZIHSQB-ACCUITESSA-N 434.513 5.298 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)cc1 1875106818 MDMBVRFDDYUNHT-LICLKQGHSA-N 443.499 6.361 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccco3)c(Br)c2)cc1C 1875108249 GGVLMVJTVCTPTK-VMPITWQZSA-N 441.277 5.474 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)Cc1ccccc1Cl 1875119703 IHSNCQRKXGTXMU-ACCUITESSA-N 436.891 5.401 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)CC(C)(C)C)c(OC)c2)cc1 1875129856 XCPVTLHKQHLKIF-MDWZMJQESA-N 426.509 5.340 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc4cc(Cl)ccc4n3)cc2)c1 1875137741 BSUPBVBRYQTSLI-VGOFMYFVSA-N 441.914 6.620 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)C(F)(F)F)c(Br)c2)c1 1875139282 AXEYAJDUGTZXLW-FNORWQNLSA-N 427.216 5.430 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1ccccc1Cl 1875144093 FGFDGYHLCUWIRB-PKNBQFBNSA-N 436.891 5.781 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(F)c3)cc2)cc1 1875161888 MMSNJILDFPFGNC-VGOFMYFVSA-N 436.454 5.798 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1OC(=O)CCOC 1875169042 GKUFNVPUAWUJFS-CMDGGOBGSA-N 444.955 5.810 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1cc(C)cc(C)c1 1875177122 VTEZQBRJYYKPSC-DHZHZOJOSA-N 428.528 6.434 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(CC)cc3)cc2)c(OCC)c1 1875177514 NVTKOBRYMSRCOH-WOJGMQOQSA-N 444.527 6.162 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2ccc(OC(=O)C(C)C)c(Cl)c2)cc1Cl 1875185786 OWVMPIHEFACTAY-GQCTYLIASA-N 427.711 6.113 30 10 IKEE C=CCn1c(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc2c(NCc3ccccc3Cl)ncnc21 1875228276 IPJOEMZWDSMJEQ-CALCHBBNSA-N 437.975 5.001 30 10 IKEE C=CCC1([C@@H](NCC)c2ccc(Br)cc2F)CN(C(=O)OC(C)(C)C)C1 1876998159 MTSUZZHYVMBUHZ-KRWDZBQOSA-N 427.358 5.052 30 10 IKEE O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1C(F)(F)F 1889876137 ZHIWCSMHQONENH-UHFFFAOYSA-N 435.673 6.649 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(-c4ccc(F)cc4)cc3)ccc21 1891174170 BSZHGSPGPNOSEM-UHFFFAOYSA-N 444.506 5.683 30 10 IKEE COc1ccccc1OCC#CCNC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 1891620493 QGARJOIANSYVHG-UHFFFAOYSA-N 439.433 5.193 30 10 IKEE N#Cc1ccccc1S(=O)(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1 1892421370 GOMAXFANNJYCFW-UHFFFAOYSA-N 433.316 5.245 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CC[C@@H](CCNC(=O)OC(C)(C)C)C(C)C)NCCC 1922076083 BUFMCYQHTARLJT-LOSJGSFVSA-N 446.676 6.095 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1csc([C@H](C)NC(=O)OC(C)(C)C)n1 1922086275 OVBIPPYYQJZEPL-GHTZIAJQSA-N 445.629 5.543 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)NCCC 1922095429 UKKSMHCERAOUGL-SMIHKQSGSA-N 430.633 5.601 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](CNC(=O)OC(C)(C)C)C1CCCCC1 1922126340 TVHHURQAHLHHSN-DQEYMECFSA-N 444.660 5.849 30 10 IKEE CC(C)(C(=O)O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(C#N)c1 1951850727 VQOTVIMEMIQZEH-XMMPIXPASA-N 440.499 5.249 30 10 IKEE CC(C)(C)OC(=O)N(CCCC(=O)Nc1ccc(Cl)cc1C#N)Cc1ccccc1 1985172041 AUQYCSGLCPOOQC-UHFFFAOYSA-N 427.932 5.368 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)[C@@H]2CCCC[C@@H]21 2009369363 KWXRZAHBWONGEQ-IMWIBFENSA-N 433.593 5.238 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C1(C)C 2013403840 BWLPQYGHIQKUGN-HXOBKFHXSA-N 449.979 5.667 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)[C@H]1C(C)(C)C 2020136254 JXKLODNLMZPVIT-KOSHJBKYSA-N 435.609 5.484 30 10 IKEE CC(C)[C@@H](COc1c(N)ccc(F)c1C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 2021714586 WOQJLPNLHGLDES-OAQYLSRUSA-N 427.520 5.120 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]([C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccccc2)C1 2023569577 LNFUZRWGRVXPCE-QZTZHPFYSA-N 429.561 5.404 30 10 IKEE C=CCN(CC(=C)Br)C(=O)c1cc(Cl)cc(NC(=O)OC(C)(C)C)c1 2060564658 KWIWAARKFCPICK-UHFFFAOYSA-N 429.742 5.224 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CN(C(=O)OC(C)(C)C)[C@H]2C(C)(C)C)cc1 2076161495 PWFQVUYVNRAMHI-DFBJGRDBSA-N 443.588 5.664 30 10 IKEE Cc1ccc([C@@H](C2CC2)n2nc(C3(C)CC3)c(C#N)c2I)c(C)c1 2079042258 HIKVDCRJPNINAI-QGZVFWFLSA-N 431.321 5.027 30 10 IKEE Cc1ccc([C@@H](n2nc(C(C)C)c(C=NO)c2Br)C2(C)CC2)c(F)c1F 2079879083 XUNCOPIYVUQFNZ-QGZVFWFLSA-N 426.305 5.553 30 10 IKEE Cc1ccc([C@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C(C)(C)C)c(F)c1F 2079939125 ZHZNWUXIIINXGH-KRWDZBQOSA-N 440.332 5.727 30 10 IKEE Cc1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)sc1Br 2082335032 BRIHJLVCMGFKHD-CQSZACIVSA-N 441.778 6.479 30 10 IKEE N#C[C@H](C(=O)CSc1nc2ccccc2s1)c1nc2c(s1)CCc1ccccc1-2 2084272953 DHDXXYDFVKEUMW-OAHLLOKOSA-N 433.583 5.487 30 10 IKEE CN(Cc1ccc(CNc2cc(Br)cc(C#N)c2)cc1)C(=O)OC(C)(C)C 2162333646 GLFLXDWDXMIPQO-UHFFFAOYSA-N 430.346 5.300 30 10 IKEE Cc1cc(F)c([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)c(Br)c1 2173408126 WJFPWONAJGDIBS-SFHVURJKSA-N 439.369 6.421 30 10 IKEE CN(C(=O)OC(C)(C)C)[C@H](CNc1ccc(Br)cc1C#N)c1ccccc1 2175023043 RZAHOOBBUMPQGK-LJQANCHMSA-N 430.346 5.341 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2cc(Br)c(C#N)cc2F)[C@H]1C(C)(C)C 2192489409 WMPMPIWUVCNCIV-WBVHZDCISA-N 440.357 5.296 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)[C@@](C)(NC(=O)OC(C)(C)C)C(C)(C)C 2235744994 APVIAWFKIHKQBU-PGRDOPGGSA-N 437.422 5.108 30 10 IKEE CN[C@@H](C#Cc1ccc(Cl)cc1)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2239578109 KHWDAIRDTHTDRA-IBGZPJMESA-N 449.776 5.762 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)cc1OC 2239649841 LNSKZACOOYUJGR-HKUYNNGSSA-N 441.410 5.358 30 10 IKEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@H](C#N)c1sc(Cl)cc1Br 2244952054 AUETVLJBEKHFRS-MRVPVSSYSA-N 433.677 5.528 30 10 IKEE C[C@@H](N(Cc1ccccc1)C(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2247908439 UOGPVMVRASGRJF-QGZVFWFLSA-N 427.419 5.124 30 10 IKEE C=C(C)CCCC[C@H](NCCC)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2250185504 OJOZOYMCGARJHT-BJKOFHAPSA-N 431.665 5.516 30 10 IKEE CCN[C@H](CC=CC#CC(C)(C)C)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256732806 HBLSWFLVMCRASM-DNQXCXABSA-N 442.644 5.461 30 10 IKEE C=CCC1([C@H](O)c2cc(Br)cc(C(C)(C)C)c2)CN(C(=O)OC(C)(C)C)C1 2288659101 JZSZOQMUEFKGNF-GOSISDBHSA-N 438.406 5.593 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(F)c([C@H](O)C#Cc2cccc(Br)c2)c1F 2296230210 RAENZXIIWVEVJW-MRXNPFEDSA-N 438.268 5.159 30 10 IKEE Oc1ccccc1C=N[C@@H]1c2ccccc2O[C@]2(N=Cc3ccccc3O)CCCC[C@H]12 2296680745 PPJFANUQDXSZTQ-GDKKVTFASA-N 426.516 5.656 30 10 IKEE C=CCc1cc(C=C2C(=N)N3C=CSC3=NC2=O)cc(OC)c1OCc1ccc(C)cc1 2297314600 WZBVRUNTIHVDRA-UHFFFAOYSA-N 445.544 5.088 30 10 IKEE C=CCN1C(=O)SC(=Cc2cc(Br)ccc2OCc2ccccc2)C1=O 2297361267 FSECSJONKAOSII-UHFFFAOYSA-N 430.323 5.250 30 10 IKEE C=CCOc1ccc(C=C2SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1OCC 2297577012 KQQOATJNMIUHCX-UHFFFAOYSA-N 425.575 5.673 30 10 IKEE CCN[C@@H](C#C[C@H](OC)C1CCCC1)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 2303639876 HHELKJOCMKFRHW-ZEQRLZLVSA-N 428.617 5.001 30 10 IKEE CC(=C1SC(=Nc2cccc(C)n2)N(C2CCCCC2)C1=O)c1ccc(Cl)cc1 2314540297 NLWABGOMPYKDCJ-UHFFFAOYSA-N 425.985 6.370 30 10 IKEE COc1cc(OC)c([N+](=O)[O-])cc1C=NNc1nc(-c2c(C)cc(C)cc2C)cs1 2318417897 JLZZPSWNDWCGNC-UHFFFAOYSA-N 426.498 5.107 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)O3)CN(CCC1=CCCCC1)CO2 2322107682 KHBRRRXPCOAMKY-UHFFFAOYSA-N 446.503 5.562 30 10 IKEE CC(C)CCN1COc2ccc3c(c2C1)OC(=Cc1ccccc1Br)C3=O 2322235081 YBBQNTUOIFPYGO-UHFFFAOYSA-N 428.326 5.263 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(Cl)cc1)C3=O)CN(CCc1ccccc1)CO2 2322286994 ZJJCVFJSQFBKBH-UHFFFAOYSA-N 431.919 5.659 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)c1OCCc1ccccc1 2322311988 JOSBLVFHYLUIQI-UHFFFAOYSA-N 437.879 5.774 30 10 IKEE Cc1c2c(cc3c1OC(=CC=Cc1ccccc1)C3=O)CN(Cc1ccccc1F)CO2 2322350438 QJCXETIEBWPJAR-UHFFFAOYSA-N 427.475 5.659 30 10 IKEE CCOc1cc(C=NNc2ccc(C)c(C)c2)ccc1OCc1c(Cl)cccc1Cl 2322922324 HUBGKNNWKICUJV-UHFFFAOYSA-N 443.374 7.034 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Br)c2)cc1OCc1cccc(C)c1 2323097866 XSYBQNMMEMAUAW-UHFFFAOYSA-N 437.333 6.241 30 10 IKEE Cc1cc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)ccc1[N+](=O)[O-] 2323273898 PSEJJSZSYBGZRU-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE Cc1c(OC(=O)c2c(F)cccc2Cl)ccc2c1OC(=CC=Cc1ccccc1)C2=O 2323363531 MNYCAOHVMAIKMD-UHFFFAOYSA-N 434.850 6.179 30 10 IKEE Cc1cc(OC(=O)C(Cl)=Cc2ccccc2)cc2c1C(=O)C(=Cc1cccc(F)c1)O2 2323441144 FCAMBEWQMPLYEO-UHFFFAOYSA-N 434.850 5.936 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 2323915007 VSOWQRKNCFYBNV-UHFFFAOYSA-N 429.516 5.616 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Cl)c1OCc1ccccc1F 2323975019 LTVOYJIZUHIIPG-UHFFFAOYSA-N 442.889 6.800 30 10 IKEE Cc1cc(O)c(CN2CCCC[C@H]2C)c2c1C(=O)C(=Cc1ccccc1Br)O2 2324010256 OGEQCGPSTMZIDE-OAHLLOKOSA-N 442.353 5.454 30 10 IKEE Cc1cc(O)c(CN2C[C@@H](C)C[C@@H](C)C2)c2c1C(=O)C(=Cc1c(F)cccc1Cl)O2 2324055240 VTIJSDRIDLNVCP-OKILXGFUSA-N 429.919 5.587 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OCc1ccc(Cl)cc1 2324181864 GMQLUYOKOYGDCA-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCCCOc3ccc(C)cc3)ccc2C1=O 2324540490 WFECJOISQUGHCP-UHFFFAOYSA-N 430.500 5.858 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccc(F)cc1)C2=O 2325005213 HUEDBVOHHCPDNO-UHFFFAOYSA-N 445.490 5.639 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(c4ccccc4)c4ccccc4)ccc3C2=O)cc1 2325216013 REMMTQIUSBYNLY-UHFFFAOYSA-N 432.519 7.034 30 10 IKEE Cc1ccccc1C=Nn1c(CCc2ccccc2)nnc1SCc1ccc(F)cc1 2325437846 WUVMRYIHKBCJHN-UHFFFAOYSA-N 430.552 5.685 30 10 IKEE COc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccc(Cl)cc3)cc(C)c2C1=O 2325513402 BCTIUQYASMRMAR-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1OC(=O)c1ccc(C)cc1 2325666315 LJWZCRXIUAUDOK-UHFFFAOYSA-N 448.518 6.786 30 10 IKEE COc1cc(C=Nn2cnnc2SCc2ccc(Cl)c(Cl)c2)cc(Cl)c1O 2325668399 ZWXGNHWVYONKID-UHFFFAOYSA-N 443.743 5.127 30 10 IKEE Cc1cc(OCC(=O)Nc2ccccc2C(C)C)cc2c1C(=O)C(=Cc1ccccc1)O2 2325726301 WGAMZYCQOKNJLD-UHFFFAOYSA-N 427.500 5.752 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1)c1ccccc1 2325732906 DSJYCSMBFSLYRU-UHFFFAOYSA-N 442.471 5.310 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(Cl)cc3Cl)c2)cc1F 2325748727 VFWFJZPFOBEZIE-UHFFFAOYSA-N 445.273 6.256 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC(=O)[C@H](C)c2ccccc2)c1 2325752835 YZEYFWLHBIFCNI-HXUWFJFHSA-N 442.555 6.598 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)c3ccccc3F)c2)cc1C(C)C 2325754091 USYCYGJBDILLLH-UHFFFAOYSA-N 432.491 6.381 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cccc(OC(=O)CCc2ccccc2C)c1 2325763558 HCMVJKJAVGCCRI-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE CCSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1cc(Cl)ccc1O 2326318044 WKAIFGHCOGXRRL-UHFFFAOYSA-N 444.988 5.205 30 10 IKEE CCOc1ccc(C=Nn2c(CC)nnc2SCc2cc(C)ccc2C)c(OCC)c1 2326592183 KLTODEKRHTXWOE-UHFFFAOYSA-N 438.597 5.429 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccc(C)c(C)c3)n2N=Cc2ccccn2)c1 2328933381 XTLJQSFTTNMUFS-UHFFFAOYSA-N 441.604 5.558 30 10 IKEE Cc1ccc(CSc2nnc(CCOc3ccccc3)n2N=Cc2cccs2)cc1 2329148784 OBUHITBYSGAENE-UHFFFAOYSA-N 434.590 5.444 30 10 IKEE CCCSc1nnc(CCc2cccs2)n1N=Cc1ccc(Cl)c(Cl)c1 2329674422 QQIVRWKPZHDEHO-UHFFFAOYSA-N 425.410 5.816 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)cc2)cc1 2330740699 HVTLSSJYVUCKBM-OAQYLSRUSA-N 442.555 6.641 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccccc2)cc1 2330844802 WROMHXJUXOFTSG-UHFFFAOYSA-N 435.641 5.887 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(SCCc2ccccc2)nnc1[C@@H]1CCCO1 2330967852 FYLDVBFPPJMRBY-QFIPXVFZSA-N 436.581 5.134 30 10 IKEE CCc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2[C@H]2CCCO2)cc1 2330986734 GOCOUGBUJKPNJQ-HXUWFJFHSA-N 426.973 5.520 30 10 IKEE O=C(COc1ccccc1)Oc1ccc(C=CC(=O)c2cccc(Br)c2)cc1 2330993964 NAVZQQFICRIAFF-UHFFFAOYSA-N 437.289 5.330 30 10 IKEE Cc1ccccc1CSc1nnc(C2CCCC2)n1N=Cc1ccc(C(C)(C)C)cc1 2331030566 HWAVNPKDMRMHHL-UHFFFAOYSA-N 432.637 6.716 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)c1ccc(F)cc1 2331142347 XHSSTZQYOIUWCQ-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OCCC)cc2)cc1OCC 2331310905 VEAWLPQTLAVRMS-UHFFFAOYSA-N 438.564 6.646 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 2331349381 ONGLTBSPIOBWCZ-UHFFFAOYSA-N 446.518 6.556 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)C(F)(F)F 2331569354 LTEXAHYSEYLTHN-UHFFFAOYSA-N 426.337 5.066 30 10 IKEE CCC(=O)Oc1c(OC)cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1OC 2331592487 QEHCFVSZAMMVPB-UHFFFAOYSA-N 432.472 5.708 30 10 IKEE COc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3c(C)cc(C)cc3C)cc2)cc1 2331764489 XVRLGHYAOMLLHT-UHFFFAOYSA-N 430.500 5.501 30 10 IKEE CC(C)N(CCCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2339574767 MQGINVRAUXJXJN-BUHFOSPRSA-N 446.397 5.141 30 10 IKEE CC[C@H](NCc1cc(Br)cs1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363843292 GVJSHTABNUETNL-SFHVURJKSA-N 436.224 5.051 30 10 IKEE Cc1cc(C)nc(/N=C(\N=C(S)Nc2ccc(Cl)cc2)N2CCc3ccccc32)n1 17101010 FYKUDGQHHWQUCY-UHFFFAOYSA-N 436.972 5.195 30 10 IKEE CCOc1cc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(C(C)(C)C)cc2)C3)ccc1O 21244488 QGMHTFBMCYITLL-AZUAARDMSA-N 433.548 5.093 30 10 IKEE CCOc1ccc2oc(C)c(C(=O)Oc3cccc(/C=C\C(=O)c4ccccc4)c3)c2c1 34954046 GHLJAWRVZIJUEM-OWBHPGMISA-N 426.468 6.255 30 10 IKEE C=CCN(Cc1csc(COc2ccc(C)c(C)c2)n1)C(=O)c1ccc(Cl)cc1 36107098 SFHOQOMLQIBURP-UHFFFAOYSA-N 426.969 5.821 30 10 IKEE C/C(=C1/S/C(=N/c2cccnc2Cl)N(C2CCCCC2)C1=O)c1cccc(N)c1 39864176 KGBOWKIEHQSANX-DNSQYUDISA-N 426.973 5.644 30 10 IKEE C=CCc1ccccc1OCCCn1c([C@H](C)NC(=O)c2cccs2)nc2ccccc21 40196798 ZGRDMRKDUJUFAO-IBGZPJMESA-N 445.588 5.786 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(N(C)C)cc1)O3)CN([C@H](C)c1ccccc1)CO2 41651634 KZFBHCFEVWEJBK-MGKUZBKYSA-N 440.543 5.590 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OC(=O)c4cccnc4)cc(C)c3C2=O)cc1 62883620 FQHPPRBJXCEZEH-UCQKPKSFSA-N 428.488 5.072 30 10 IKEE CCc1ccc([C@@H]2C3=C(CCCC3=O)Nc3c(C(=O)Nc4ccc(Cl)cc4)cnn32)cc1 64874157 DTDXSJZCBRQEGY-HSZRJFAPSA-N 446.938 5.373 30 10 IKEE CCCCc1ccc(NC(=O)c2oc3c(c2C)/C(=N\Nc2ccccc2)CC(C)(C)C3)cc1 101108836 BEEWFKXXSOISLN-SXBRIOAWSA-N 443.591 6.972 30 10 IKEE Cc1c(/N=N/c2ccc(/N=N\c3ccccc3)cc2)c(O)n(C2CCCCC2)c(=O)c1C#N 101146219 ZFHVVXDLZBHXKO-UVWPASAXSA-N 440.507 7.070 30 10 IKEE Cc1ccc(N/C=C2/C(=O)c3ccccc3N(Cc3ccccc3)S2(=O)=O)cc1Cl 105286003 KRSDRIUFJHUQCL-HMAPJEAMSA-N 438.936 5.135 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccc(C)cc2C)cc1 169925731 XOWDNOUXJPAPEI-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2cccc(OC)c2)c1 169935582 NOTYSMFKBZLJEL-XMMPIXPASA-N 443.499 5.104 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccccc2C)c1 169937049 HXSQLTQSQGRUDL-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1c1cc(C)cc(C)c1 169941141 IQVMELVABPAIQH-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1ccccc1)c1cc2ccccc2o1 170055195 VDOFTLSGZKTHIK-XMMPIXPASA-N 441.458 5.393 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(C(C)C)cc2)cc1C 170066508 VPHUKMCIMFELOX-LADGPHEKSA-N 433.548 5.184 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccc(C)c2)ccc1Cl 170141592 NXRLANWISRFTMJ-HSZRJFAPSA-N 447.918 5.830 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cccc(C)c1 170148424 NVKSZJSEZOQURR-DEOSSOPVSA-N 447.575 5.822 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2cccs2)cc1 170159603 MKBUXIHXYFBNII-QHCPKHFHSA-N 425.509 5.993 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)cc(C)c3OC)[C@@H]2c2ccccn2)cc1 170170831 RDFGFPUSONKEHL-QHCPKHFHSA-N 442.515 5.052 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1cccnc1)c1ccc2ccccc2c1 170188611 SFGUQGMHXYIBLO-HSZRJFAPSA-N 440.886 5.671 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@@H]1c1ccccc1 170225347 YBCQIJMBUOBAID-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccccc1F)c1ccc2c(c1)CCCC2 170247830 PINNJEAYFOOUNN-XMMPIXPASA-N 445.465 5.627 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1c[nH]c2ccccc12)c1ccc2c(c1)CCCC2 170256400 HUOOMXVXJQYRIA-RUZDIDTESA-N 440.543 5.568 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2c2ccc(C)c(C)c2)o1 170301694 IEOVPUNEWDJYMA-VWLOTQADSA-N 441.527 5.867 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc3c(c2)OCO3)cc1 170378876 IQKDVQPFBPHDLR-QFIPXVFZSA-N 447.512 5.383 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 170454918 HNIMPOPXWCAREB-JOCHJYFZSA-N 438.543 5.183 30 10 IKEE COc1ccc2nc(N3C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]3c3cccc(C)c3)sc2c1 170461929 JLQLMDLPFMMNNL-LJQANCHMSA-N 436.533 5.129 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2nc3ccc(C(C)C)cc3s2)[C@H]1c1ccccn1 170479423 VRCXSYWBOAVWAR-NRFANRHFSA-N 435.549 5.330 30 10 IKEE CCCCCCCc1ccc(-c2ccc(C(=O)Oc3ccc(OCCC)cc3)cc2)cc1 198828960 AKQAKBOXBJKCPW-UHFFFAOYSA-N 430.588 7.875 30 10 IKEE CSc1nc(NC(c2ccccc2)c2ccccc2)c(C#N)c(-c2cccc(Cl)c2)n1 242497941 BTERDOMVNSARME-UHFFFAOYSA-N 442.975 6.592 30 10 IKEE C=CCSc1nnc2c(n1)O[C@H]([C@@H]1C[C@@H]3C(=CCCC3(C)C)C[C@H]1C)Nc1ccccc1-2 245226589 FFPWFNSTHNZZLR-UGTJMOTHSA-N 448.636 6.356 30 10 IKEE biogenic CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)C(=O)N1C 252588325 AAMCXELSFXQLKU-KRWDZBQOSA-N 436.364 5.146 30 10 IKEE Clc1ccc2[nH]c3c(c2c1)CCCC3=NN=C1CCCc2c1[nH]c1ccc(Cl)cc21 252623434 ORICKPRFFDPIKK-UHFFFAOYSA-N 435.358 6.822 30 10 IKEE Oc1ccc(Cl)cc1C=Nc1ccc(Sc2ccccc2)nc1Sc1ccccc1 254483567 FWSSKZRWFSIDML-UHFFFAOYSA-N 449.000 7.494 30 10 IKEE Oc1ccccc1C=Nc1ccc(-c2nc3cc(N=Cc4ccccc4O)ccc3o2)cc1 254569969 ZCTHBMAKHKOVOW-UHFFFAOYSA-N 433.467 6.407 30 10 IKEE Cc1ccccc1N1C(=O)C(Nc2cccc(C#N)c2)=C(Sc2ccc(Cl)cc2)C1=O 526664996 AECSIOGHHIJGLD-UHFFFAOYSA-N 445.931 5.509 30 10 IKEE CC(=O)Oc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Cl)cc2)c1 526744391 MULPZMAFKNKXRO-JOCHJYFZSA-N 447.874 5.048 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1OC 526772412 IIAGRDYIINTCJE-QFIPXVFZSA-N 449.890 5.140 30 10 IKEE CCN(Cc1ccccc1)c1ccc(/C=N\n2cnnc2SCc2ccccc2F)cc1 526802662 KSHSJSHHIAYOJR-NTFVMDSBSA-N 445.567 5.618 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1ccc(OC(C)(C)C)cc1 526802797 NLIYNECNWDARER-QQXSKIMKSA-N 440.588 6.112 30 10 IKEE O=C(OCc1cc(-c2ccccc2F)on1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 585163784 VYZVVBBMYPCJSJ-UHFFFAOYSA-N 433.279 5.875 30 10 IKEE Cc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2ccc(N3CCCCC3)cc2)cc1 586199466 VYOUWUQZXRGSTQ-UHFFFAOYSA-N 445.588 5.253 30 10 IKEE C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C(=O)Nc2scc(C(C)(C)C)c2C#N)cc1 586636381 PAXANEGSDVFUCZ-YWZLYKJASA-N 438.597 5.870 30 10 IKEE CCCCCCCCCCC(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 693690769 CAVRCASWJWTNNV-MHZLTWQESA-N 444.660 6.256 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1 698439726 AXBHXLYYUGTQTF-XDHUDOTRSA-N 445.560 5.118 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCCc2sccc21 698450786 GXCWCNIUPWEPPA-FQEVSTJZSA-N 433.371 6.007 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@@H](C#N)c1cc(Br)c(Cl)s1 698959713 AOPRNPUHRKHSAX-JTQLQIEISA-N 434.747 5.666 30 10 IKEE O=C(/C=C\c1csc(COc2ccc(Cl)cc2)n1)c1ccc(C(F)(F)F)nc1O 731563520 RQARYJGWTDKJMF-CLTKARDFSA-N 440.830 5.391 30 10 IKEE Cc1ccc(-c2nc(N=Cc3ccccc3[N+](=O)[O-])sc2-c2ccc([N+](=O)[O-])cc2)cc1 1083912829 CFTMPYXPNQIDBT-UHFFFAOYSA-N 444.472 6.353 30 10 IKEE O=C1/C(=C/c2cccc(Br)c2)SC(=Nc2ccccc2)N1c1ccccc1 1084289398 CLYDAFHGZPCBHM-OIBHPTRJSA-N 435.346 6.258 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@]23CC[C@@](C)(C(=NNc4ccc([N+](=O)[O-])cc4)C2=O)C3(C)C)c1 1772722337 OZUNTPSRYLWBGK-LOSJGSFVSA-N 448.523 5.014 30 10 IKEE O=C(O)c1cccc(N=C2S/C(=C/c3ccccc3[N+](=O)[O-])C(=O)N2c2ccccc2)c1 1772735041 HPGMIWRRNLWFBC-ZOAXWHFDSA-N 445.456 5.102 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)SC1=Nc1nc(-c2ccccc2)cs1 1772736464 KTZXBQGMSOWGAM-SKYIDQJDSA-N 434.590 5.500 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2)SC(=NN=C/C=C/c2ccccc2)N1Cc1ccco1 1772759806 ZGPZFRDXCGXEPQ-XEPCRBBBSA-N 447.947 6.105 30 10 IKEE C[C@H](/N=C1/C[C@@H](c2ccccc2)Oc2cc(OCc3ccccc3)cc(O)c21)c1ccccc1 1848438884 VTOAMLJHTCXHJV-AIBCNLAASA-N 449.550 7.045 30 10 IKEE CCCCc1ccc(NC(=O)Oc2ccc(CNC(=O)c3cccc(C#N)c3)cc2)cc1 1858913050 NZKIRHIEWBPYAQ-UHFFFAOYSA-N 427.504 5.442 30 10 IKEE N#Cc1cccc(C(=O)Nc2cccc3c(OC(=O)c4ccc(Cl)s4)cccc23)c1 1858930251 ZOCNQNIIMDTOOR-UHFFFAOYSA-N 432.888 5.898 30 10 IKEE CCCCCCCCCCNC(=O)c1cc(OC)c(OC)c(OC)c1Br 1859455836 IYIZOJAVKYVVII-UHFFFAOYSA-N 430.383 5.345 30 10 IKEE CCCCC1CCC(C(=O)Nc2cc(NC(=O)c3cccc(C#N)c3)ccc2Cl)CC1 1860461573 HBUNSAGTKJJIIF-UHFFFAOYSA-N 437.971 6.399 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)c1c(C)ccc2ccccc12)[C@H](C)CC 1860989777 IRUGZVWPIMOCEI-RLWLMLJZSA-N 438.656 6.550 30 10 IKEE CCCCCCCCNC(=O)[C@](C)(CC)NC(=O)CCCOc1ccc2ccccc2c1 1861699783 NCODKPQCCJLWSO-MHZLTWQESA-N 440.628 5.760 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)c1ccc(-n2cccc2)cc1 1861773325 DFAZHOROVWHXFT-RUZDIDTESA-N 439.644 6.023 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)cc1 1862401872 LSFXUQDUJZVKNR-QOKIKDITSA-N 447.575 5.723 30 10 IKEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@H]2c2ccccc2)cc1 1862429997 ZRSDQXBFVSXPRC-WAIKUNEKSA-N 447.918 5.688 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CCCC2)c1 1862433543 FNZHQYYFRFSZBZ-OAQYLSRUSA-N 425.912 5.260 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CCCC2)c1 1862436919 FJXILXVXEQWOTD-QFIPXVFZSA-N 439.939 5.650 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862501402 BQHPDIFQLPYJBP-HSZRJFAPSA-N 437.511 5.444 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(OCC)c(OCC)c1 1862541443 LLNYJWIQMXOYAR-QHCPKHFHSA-N 437.536 5.035 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(O)c(O)c1 1862548101 KCXLLFGKEJEYPB-XMMPIXPASA-N 449.547 5.135 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2cccc(Cl)c2)cc1 1862558460 XPXNQTKNZJWIPF-JOCHJYFZSA-N 432.907 5.009 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@@H]1c1cccc(Cl)c1)c1cccc(O)c1 1862591692 MEMIAWNJAFIBBY-JOCHJYFZSA-N 439.939 5.737 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C2CCCCC2)c1 1862613551 KHPHRHMXTDZGFZ-XMMPIXPASA-N 431.576 6.204 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(C)cc1 1862713268 LDIFMJZBGOGKIU-RUZDIDTESA-N 427.544 6.307 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)cc2F)=C(c2ccc(C)cc2)C1=O 1863271778 XRUZFASDGDUDJR-UHFFFAOYSA-N 426.507 5.826 30 10 IKEE CCCCCCCCNC1=C(c2ccc(C)cc2)C(=O)N(CCCCc2ccccc2)C1=O 1863628009 LRJDKXZGMKEUHR-UHFFFAOYSA-N 446.635 6.048 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)NC1CCN(C(=O)OCC)CC1 1866030095 YQIJTOUOBAZYLB-UHFFFAOYSA-N 438.697 6.985 30 10 IKEE Cc1ccc([C@H](CC(=O)N[C@@H](C(=O)Nc2ccc(C#N)cc2)c2ccccc2)C(C)C)cc1 1866742204 DDNBHUOWCJDNLW-XNMGPUDCSA-N 439.559 5.493 30 10 IKEE C=CCN(CC=C)c1cc(N(C2CCCCC2)C2CCCCC2)nc(-c2cccnc2)n1 1868003680 SBCQXRISJVHSKX-UHFFFAOYSA-N 431.628 6.189 30 10 IKEE Cc1ccccc1Cn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCCCCC1 1870348439 YMNJRWRKLGFKQS-UHFFFAOYSA-N 441.575 5.032 30 10 IKEE CCCCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CN(CC)CCCC 1870352604 CHUYJIMYISYFEP-UHFFFAOYSA-N 434.709 7.036 30 10 IKEE CCCCCCCOc1cn(CCCN(CC)CC)c(CN2C[C@@H](C)C[C@H](C)C2)cc1=O 1870411984 VBGXYKPBUSWPTQ-ZEQRLZLVSA-N 447.708 5.407 30 10 IKEE CCCCCCCCCCn1cc(OCCC)c(=O)cc1CN1CCC(N(C)C)CC1 1870657252 FEGWVQGIKTYIJQ-UHFFFAOYSA-N 433.681 5.304 30 10 IKEE C=CCOc1cn(Cc2ccccn2)c(CNc2ccc(OCCCCCC)cc2)cc1=O 1870811939 KNKOIKCUROOUIT-UHFFFAOYSA-N 447.579 5.428 30 10 IKEE CCCCCCCOc1cn(CCCCCCO)c(CNc2ccc(C)cc2C)cc1=O 1870839119 LWKUDPSXOBKGTR-UHFFFAOYSA-N 442.644 5.979 30 10 IKEE C=CCn1cc(OCC(=O)OCCCCCC)c(=O)cc1CNc1ccc(C(C)C)cc1 1870840987 LPBXVJKMTONVDZ-UHFFFAOYSA-N 440.584 5.272 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2C)c(=O)cc1CNc1ccccc1 1871078376 KGZHFQRLRXZAQZ-UHFFFAOYSA-N 432.608 6.708 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871388731 APLYFPAZYUBMCE-HMAPJEAMSA-N 446.430 5.285 30 10 IKEE Cc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O 1871404263 KKMPBVBLBVSZDB-GEWRUKCFSA-N 433.891 5.671 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871411436 NMJFAUUNZLGLIW-SNNLMFDCSA-N 445.490 5.719 30 10 IKEE Cn1cc(/C=C2\Oc3cc(OCc4nc(O)c5ccccc5n4)ccc3C2=O)c2ccccc21 1871431446 YXOJPFQHQBKEDE-MSXFZWOLSA-N 449.466 5.022 30 10 IKEE CCCOC(=O)[C@H](CC)Oc1ccc2c(c1C)O/C(=C\c1cn(CC)c3ccccc13)C2=O 1871434364 RTMNIAOEVMYDKS-IOOSODASSA-N 447.531 5.696 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4c(F)cccc4F)c3C)C2=O)cc1 1871440853 KYLIGQPGAGTJRB-MTJSOVHGSA-N 435.426 5.215 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(Cl)cc4C)ccc3C2=O)cc1 1871454658 QFYAXHPATGUHHJ-FMCGGJTJSA-N 433.891 5.591 30 10 IKEE CCCCCCCCCCN=c1nc(N2CCCC2)[nH]c(=Nc2ccc(C)c(F)c2)[nH]1 1871581798 XMYICUFYGYSAFS-UHFFFAOYSA-N 428.600 5.059 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)C(C)C)S(=O)(=O)CCC 1871838237 FKKNONDACWRWHO-QHCPKHFHSA-N 444.597 5.060 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(C(C)C)cc1)[C@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1871848355 BKCZPGQAJDLZKJ-WZONZLPQSA-N 446.588 5.179 30 10 IKEE COc1ccc(-c2nc([C@H](C#N)C(=O)CSc3ccc(C)cc3)sc2C)c(OC)c1 1872728366 YUJVBNYCXPSAES-LJQANCHMSA-N 438.574 5.413 30 10 IKEE C=CCNC(=O)c1ccc2nc(-c3cccc(OC)c3OCc3cccc(C)c3)[nH]c2c1 1872731489 WXOQYLNNQREOCK-UHFFFAOYSA-N 427.504 5.042 30 10 IKEE CC(C)c1ccccc1O[C@@H](C)C(=O)[C@@H](C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1872760109 HODYVCGVZVVZKP-HNAYVOBHSA-N 435.505 5.485 30 10 IKEE N#C[C@@H](C(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872769515 UBJQHVCIXCQCTP-SZTZYQKNSA-N 444.299 5.915 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3cc(OC)ccc3OC)n2)cc1 1872770475 VMMRDMIDEHKJLY-FTUXVVSKSA-N 448.544 5.506 30 10 IKEE N#C[C@H](C(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1nc(-c2cccc3ccccc23)cs1 1872774931 GMMRSLBLCFMKST-RJRNSMGGSA-N 425.469 5.761 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccccc3C)n2)cc1Cl 1872785194 HWQBXRXUKFZKMB-KRWDZBQOSA-N 440.952 5.816 30 10 IKEE Cc1ccccc1OCCCC(=O)[C@@H](C#N)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872787695 PKHXHBSTUKAAAV-QGZVFWFLSA-N 445.371 6.461 30 10 IKEE CCCCCCCCCCNC(=O)c1cccc(COc2cccc(-n3cnnn3)c2)c1 1872836336 VGAHYRDXBGAGOP-UHFFFAOYSA-N 435.572 5.112 30 10 IKEE Cc1ccccc1COc1ccccc1/C=N/Nc1oc([C@H]2C[C@@H]2c2ccccc2)nc1C#N 1873470267 DOGRESZFIWZVFC-IBHBEKDDSA-N 448.526 6.151 30 10 IKEE CC(C)(C)C1CCC2(CC1)CC(=O)c1ccc(OCC(=O)Nc3ccc(C#N)cc3)cc1O2 1873867802 YTGPBKAOFYYQJW-UHFFFAOYSA-N 446.547 5.516 30 10 IKEE CCCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(C(C)C)cc1 1874270302 OZELEFFWDXFFSK-OVVQPSECSA-N 428.605 6.530 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc(C(C)C)cc1 1874342496 SQRDWBKCISFPDM-AFUMVMLFSA-N 425.001 6.196 30 10 IKEE COc1ccc(Cc2nnc(SCc3cc(C)ccc3C)n2/N=C/c2cccs2)cc1 1874349222 AFMILHHFACVLKP-MFKUBSTISA-N 448.617 5.730 30 10 IKEE COc1cccc(/C=N/n2c(SCCc3ccccc3)nnc2-c2ccccc2Cl)c1 1874365878 ZEAFRGONRZTDKA-YZSQISJMSA-N 448.979 5.824 30 10 IKEE COc1ccc(/C=N/n2c(COc3ccccc3)nnc2SCCc2ccccc2)cc1 1874384556 WBMJWGUHKWMZKZ-NLRVBDNBSA-N 444.560 5.083 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(SCCc2ccccc2)nnc1-c1ccccc1 1874428514 MKHWWBGXSKLQLP-ZXVVBBHZSA-N 442.588 5.949 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccco3)n2/N=C/c2ccc(Cl)cc2Cl)c1 1874465736 YXXRZODNKBQOLT-WYMPLXKRSA-N 443.359 6.328 30 10 IKEE Cc1ccsc1/C=N/n1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccco1 1874467792 BZHXGZAUDZVYSY-LSHDLFTRSA-N 449.388 6.389 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(-c2ccco2)n1/N=C/c1ccccc1Cl 1874468888 CGTXKULVLLLIMU-BHGWPJFGSA-N 447.322 6.159 30 10 IKEE CC(C)(C)c1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc2c(c1)OCCO2 1874484451 XAXHDVQUJKMQHV-ZMOGYAJESA-N 442.972 5.175 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(CC(C)C)nnc1SCc1ccc(F)cc1 1874488148 YTMCPLSIZLAZDC-JFLMPSFJSA-N 448.567 5.952 30 10 IKEE CCOc1c(/C=N/n2c(SCc3ccc(C)cc3)nnc2C2CCC2)cccc1OC 1874493670 YJCQPKAKERBRJM-MFKUBSTISA-N 436.581 5.436 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccccc3F)nnc2C(C)C)cc1OC 1874513515 BTQQMGSTRFCDIR-ZMOGYAJESA-N 428.533 5.122 30 10 IKEE CCCCCCOc1ccc(/C=N/n2cnnc2SCc2cccc(C)c2)cc1OC 1874536457 FTDLPWTXMVBBCM-WGOQTCKBSA-N 438.597 5.729 30 10 IKEE Cc1ccc(C)c(CSc2nncn2/N=C/c2ccc(OCc3ccccc3)cc2)c1 1874538685 RJLAHCUUOQVRRL-JFLMPSFJSA-N 428.561 5.648 30 10 IKEE COc1cccc(/C=N/n2c(S)nnc2-c2ccccc2)c1OCc1cccc(C)c1 1874558910 HUHUCVQAJUTLAT-MFKUBSTISA-N 430.533 5.012 30 10 IKEE CCCCCOc1ccccc1/C=N/n1c(S)nnc1COc1c(C)ccc(C)c1C 1874566816 PGEYUUKTXLKHTK-MFKUBSTISA-N 438.597 5.522 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccccc2Cl)cc1 1874574051 SBEGJTYHUWZMLS-FYWRMAATSA-N 439.382 7.811 30 10 IKEE COc1cccc(/C=C/C(=O)c2cccc(Cl)c2)c1OCC(=O)Nc1ccc(C)cc1C 1874577647 ZDUALCSKBKWMQD-ACCUITESSA-N 449.934 5.879 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(F)cc2)c1OCC(=O)NC1CCCCC1 1874583749 DYJGMRHTJYRUNO-FMIVXFBMSA-N 445.918 5.212 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccccc1OCC(=O)Nc1ccc(C)cc1 1874589668 XMTDRYVOGODBLV-JLHYYAGUSA-N 449.934 5.879 30 10 IKEE Cc1ccc(NC(=O)COc2ccccc2/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1 1874589965 LXBRAHQKTXELFN-GHRIWEEISA-N 441.571 6.515 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCc2cccc(Cl)c2)c2ccccc12 1874591796 CECXRVJVIGTWQD-FYWRMAATSA-N 428.915 6.977 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3cc(C)ccc3C)c([N+](=O)[O-])c2)cc1OC 1874602925 GWKDBHKRYDSSOP-JXMROGBWSA-N 447.487 5.704 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 1874621888 ABJKPILMDIOXCO-LICLKQGHSA-N 427.544 6.206 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OCc1cccc2ccccc12 1874634945 BCSVSGHBRHKSAT-WYMLVPIESA-N 436.551 7.249 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OC(=O)Cc1ccccc1Cl 1874700784 MLSUJWPCFWNEQB-WUXMJOGZSA-N 441.310 6.046 30 10 IKEE COc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3cc(C)ccc3OC)c2)cc1OC 1874704393 MYNKLIPTRSSWAD-PKNBQFBNSA-N 432.472 5.136 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3sccc3C)c2)cc1C(C)C 1874711017 PFGPTVBZFYMCPN-MDZDMXLPSA-N 434.557 6.612 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc1OC(=O)c1ccccn1 1874715402 ROHGHAWPWORNGX-VQHVLOKHSA-N 437.879 5.176 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OC(=O)Cc1ccc(C)cc1 1874716295 LSVGGNPAYXYBBT-ZRDIBKRKSA-N 428.528 5.973 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccccc2OC)CSc2nnc(C3CCC3)n21 1874883937 UBSQBHDWRKUFIK-FQEVSTJZSA-N 442.629 5.616 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC(=O)CC(C)C 1875080540 MTZGJTMJJQUVKQ-XNTDXEJSSA-N 444.527 6.218 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1 1875080791 SYBFXIZNXKWNQZ-CIAFOILYSA-N 432.519 7.031 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1Cl 1875113558 NCXOCFYQMYLTIH-YRNVUSSQSA-N 429.274 6.177 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)c(F)c3)c(Cl)c2)cc1 1875129400 AEUSBGIVIDSFLM-QDEBKDIKSA-N 442.845 6.132 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)c(Cl)c3)cc2)c1 1875134122 LCILQHBTGZFEEO-KPKJPENVSA-N 439.338 6.654 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)cc3)c(OC)c2)cc1 1875138999 NDAUUDPJIYZVFI-MKMNVTDBSA-N 448.490 5.667 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)c1cncc(C)c1 1875140083 OWQFGNAMMRPORU-ZHACJKMWSA-N 441.527 5.859 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1 1875143184 MWABVKPVWNFCKG-YRNVUSSQSA-N 431.444 5.336 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1 1875156421 ZPIOJIFEJYGCPV-LFYBBSHMSA-N 428.572 6.828 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1cccc(F)c1 1875157186 RQWOVKJSCKGHLK-RIYZIHGNSA-N 432.491 6.463 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)c(OC)cc2OC)cc(Cl)c1OC(C)=O 1875174460 RWJDMDWCOOHYQT-VOTSOKGWSA-N 439.291 5.231 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)c1ccccn1 1875185554 YPLBLANFKYWTHE-SDNWHVSQSA-N 443.543 6.202 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)ccc1OC(=O)c1cccs1 1875193456 KSRHBQUIRYVDGK-RMKNXTFCSA-N 442.920 5.924 30 10 IKEE C#CC[C@H](C)C[C@H](NCCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1887451198 CSSSUFSHBMIFCM-CUBQBAPOSA-N 441.615 6.935 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCCC)c2cccc(Br)c2F)C1 1892692380 XEPXCMOMBMAIIO-KRWDZBQOSA-N 427.358 5.242 30 10 IKEE CCN[C@@H](CC#CC1CCCCC1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 1915206514 VUMXGLLPMXIFSC-VWLOTQADSA-N 426.645 6.156 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1sc(CNC(=O)OC(C)(C)C)nc1C 1922114849 BUNPFAIVWQVEIB-OAQYLSRUSA-N 445.629 5.290 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CN(C(=O)OC(C)(C)C)[C@@H]2CCC[C@@H]21 1926544191 ZUDULGCZQQQAMZ-DMJCMNNJSA-N 441.572 5.418 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1944587203 BECFRQMYJIFXJN-QMHKHESXSA-N 449.979 5.669 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)CC12CCC2 1949859161 GZXYAQPSXHHIEV-QHCPKHFHSA-N 447.601 5.311 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2 2017181985 ULGXCYMYTFPXGF-ZLNRFVROSA-N 428.617 5.211 30 10 IKEE C=CCCCCCCCCC[C@@H](N)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2026310398 PJWZLDLYIDCERP-RPWUZVMVSA-N 432.649 6.121 30 10 IKEE C[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)[C@H](C)CN1C(=O)OC(C)(C)C 2031998677 FJDJOZZVNFMJEZ-HOZJOUCCSA-N 447.551 5.495 30 10 IKEE C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2037935819 MVPZPLPOACBALH-PMACEKPBSA-N 437.559 5.618 30 10 IKEE O=c1c2c(-c3ccccc3)csc2ncn1N=CC(Br)=Cc1ccccc1 2040448314 IKSKHQSYTSVFNT-UHFFFAOYSA-N 436.334 5.395 30 10 IKEE CCN(CC)c1ccc(C=C2CC(C)CC(=Cc3ccc(N(CC)CC)cc3)C2=O)cc1 2053622873 SFXPLYOSNTZJFW-UHFFFAOYSA-N 430.636 6.845 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(C(=O)OC(C)(C)C)C23CCCC3)cc1 2072184231 CQOVXARXTPTTGM-RUZDIDTESA-N 441.572 5.562 30 10 IKEE CCOC(=O)c1c(C(C)C)nn(Cc2ccc(F)c(C(F)(F)F)c2)c1C(F)(F)F 2079089868 UZWWJHLOFQOOIF-UHFFFAOYSA-N 426.332 5.408 30 10 IKEE COc1ccc([C@@H](n2nc(C(F)(F)F)c(C#N)c2Br)C2(C)CC2)c(C)c1 2079928820 LRZPHTGPFQCGET-OAHLLOKOSA-N 428.252 5.243 30 10 IKEE CCc1nn([C@H](c2ccc(C(F)(F)F)c(F)c2)C2CC2)c(Br)c1C=NO 2079969407 CJMWPGFTMNTQIR-HNNXBMFYSA-N 434.231 5.173 30 10 IKEE CC[C@@H](c1c(C)cc(C)cc1C)n1nc(C(C)C)c(C=NO)c1I 2079998067 LSRUUQCWWGZAKH-INIZCTEOSA-N 439.341 5.344 30 10 IKEE N#Cc1cnc2c(-c3c(F)cccc3Br)c(C3CCCCC3)nn2c1Cl 2081420737 UZJBSBUNEHBXMY-UHFFFAOYSA-N 433.712 5.871 30 10 IKEE C=CCN(C[C@H](Cc1cccc(Br)c1Cl)NCCC)C(=O)OC(C)(C)C 2110501417 ROKLBQXHXIEYCN-INIZCTEOSA-N 445.829 5.436 30 10 IKEE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)[C@@H]2C[C@@H](c3ccccc3)CC[C@@H]2C#N)C1 2117931184 OJVRWGJDSPZLNG-BFLUCZKCSA-N 445.607 5.584 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cccc(Br)c1Cl 2136570911 MZNIARGSDSVBHF-FUHWJXTLSA-N 443.813 5.450 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)C[C@@H]2CCCCC[C@@H]2C1 2153400510 RKBUEXXTNZIZMZ-FAQVEIGNSA-N 433.390 6.443 30 10 IKEE COc1ccc(C)cc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2157899450 GOPYJFVRPYYMJJ-GOSISDBHSA-N 431.330 5.773 30 10 IKEE C=C(Cl)C[C@@H](NCCC)c1cc(Br)cc(Br)c1OCC 2164215123 NWLVIOKYWAUJON-CQSZACIVSA-N 425.592 5.794 30 10 IKEE CC(C)(C)OC(=O)N1CCCC12CCC(Nc1ccc(C#N)cc1Br)CC2 2167915036 XWKVSMBOMUBHDG-UHFFFAOYSA-N 434.378 5.445 30 10 IKEE CCCN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cccc(Br)c1C#N 2174814109 DMTHHXCDACYERR-MRXNPFEDSA-N 436.394 5.184 30 10 IKEE CCN(C(=O)OC(C)(C)C)c1ccc(CNc2cc(Br)cnc2C#N)cc1 2176856131 PJBDUPOKOMQHDV-UHFFFAOYSA-N 431.334 5.089 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Cl)c(Cl)cc1Cl 2201288678 LUVYVEOMAZTCKF-ZWKOTPCHSA-N 433.807 5.994 30 10 IKEE C=C(Cl)C[C@H](NCCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229114574 SESPMYKTEZUHAF-ROUUACIJSA-N 445.829 5.396 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1C[C@H]2CCC[C@H]1N2C(=O)OC(C)(C)C 2252696379 IHDTVIGEXCQNBK-YCAMKHIRSA-N 428.617 5.306 30 10 IKEE CC1(C)OB(c2ccc(Cl)cc2C(=O)N(Cc2ccccc2)CC2CCC2)OC1(C)C 2255816965 NPXNUHQLGZEXNZ-UHFFFAOYSA-N 439.792 5.082 30 10 IKEE C=CCCC1([C@H](O)Cc2ccc(Br)cc2Cl)CN(C(=O)OC(C)(C)C)C1 2266202836 OJLJNLQOIYLOAN-QGZVFWFLSA-N 444.797 5.209 30 10 IKEE Cc1cc(NC(=O)OC(C)(C)C)cc(Oc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)c1 2267827050 PGMPVCUADOEOMM-UHFFFAOYSA-N 440.349 5.016 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H](Nc2cc(Br)cc(C#N)c2)C(F)(F)CC1 2284579388 UBXXXJSAAXVMSB-MRXNPFEDSA-N 444.320 5.158 30 10 IKEE C=CCCCC[C@@](C)(OCCCN)c1cc(Br)c(Br)s1 2293272279 QTXIBHYEHVSQCL-OAHLLOKOSA-N 425.230 5.600 30 10 IKEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@](C)(CC)CNC(=O)OC(C)(C)C 2296216424 KICLEOJIGQUUQY-SIKLNZKXSA-N 437.422 5.110 30 10 IKEE O=C(Oc1ccc(C=C2Sc3ccccc3C2=O)cc1)c1cc(Cl)ccc1Cl 2297453547 FWVAUVWZIOZWNX-UHFFFAOYSA-N 427.308 6.542 30 10 IKEE CCCCO[C@@H]1Oc2ccc(C)cc2C(=O)C1=CN=c1[nH]c2c(Cl)cccc2s1 2297532621 IDRMWPKNUVIWBO-OAQYLSRUSA-N 428.941 5.394 30 10 IKEE CC(C)CN1C(=O)SC(=Cc2ccc(OCc3ccccc3C#N)c(Cl)c2)C1=O 2297558881 CNIHVUIBTVCRHV-UHFFFAOYSA-N 426.925 5.483 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=Nc1ccccc1 2313510515 NJFLXUQGAJJPRF-UHFFFAOYSA-N 431.473 5.645 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(OCc3ccc(C)cc3)cc2)SC1=Nc1ccccn1 2314541401 LEMCLSHLNJYVLM-UHFFFAOYSA-N 441.556 5.759 30 10 IKEE CCN1C(=O)C(=Cc2c(F)cccc2Cl)SC1=Nc1nc(-c2ccccc2)cs1 2314544024 RJOCKRYWIRHLST-UHFFFAOYSA-N 443.956 6.227 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@]2(C)CCCCN2C(=O)OC(C)(C)C)cc1 2318947157 RCVPRHMENPAMRY-NLFFAJNJSA-N 443.588 5.808 30 10 IKEE C=Cc1ccc(COc2ccc3c(c2C)OC(=Cc2ccc(Br)cc2)C3=O)cc1 2321876082 LGFCOKFUROALSR-UHFFFAOYSA-N 447.328 6.596 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O3)CN(C1CCCC1)CO2 2322016154 LGNULQLWNACUDF-UHFFFAOYSA-N 430.331 6.013 30 10 IKEE CN(C)CCCCN1COc2ccc3c(c2C1)OC(=Cc1ccc(Cl)c(Cl)c1)C3=O 2322119802 BMUWHWIDOXLHHU-UHFFFAOYSA-N 447.362 5.103 30 10 IKEE COc1cccc(C=CC(=O)c2cc(C)ccc2C)c1OCC(=O)Nc1ccccc1F 2322624064 BEVPEBDTKQXWBD-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE CCc1ccccc1NC(=O)COc1c(C=CC(=O)c2ccc(C)c(C)c2)cccc1OC 2322901031 ISYRMMFXHMWHRZ-UHFFFAOYSA-N 443.543 5.788 30 10 IKEE COc1cc(C=NNc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1 2322952829 IWJINEKRRWGENH-UHFFFAOYSA-N 445.744 6.136 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCc2cccc3ccccc23)cc1Cl 2322974829 MHZGYQGCRKVVKI-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE O=C(COc1ccccc1C=CC(=O)c1cc(Cl)ccc1Cl)Nc1nccs1 2322999429 GEIFRAHHKGLWGL-UHFFFAOYSA-N 433.316 5.364 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3ccc(CC)cc3)c2)cc1 2323157627 BMEAZGAOYSODBX-UHFFFAOYSA-N 443.543 5.951 30 10 IKEE Cc1c(C(=O)Oc2ccc3c(c2C)OC(=CC=Cc2ccccc2)C3=O)cccc1[N+](=O)[O-] 2323270589 XYOCBGNOQNRJNE-UHFFFAOYSA-N 441.439 5.603 30 10 IKEE CCOc1c(Br)cc(C=CC(=O)c2ccc(CC)cc2)cc1Br 2323462472 ODTMWORLRGAVLO-UHFFFAOYSA-N 438.159 6.069 30 10 IKEE Cc1ccc(COc2ccccc2C=Nn2c(S)nnc2Cc2ccc(F)cc2)cc1 2323540856 BSZIVXOBJZTGFI-UHFFFAOYSA-N 432.524 5.066 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 2323710507 ZPSDNPZJEYKUSI-UHFFFAOYSA-N 447.487 5.786 30 10 IKEE CCOc1c(Br)cc(C=NNc2nc(-c3ccccc3)c(C)s2)cc1OC 2323840493 KCQWSTGLFIJLST-UHFFFAOYSA-N 446.370 5.734 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OCCC)cc2)cc(OC)c1OCc1ccccc1 2323934851 HRAHVHBWFYMCPD-UHFFFAOYSA-N 442.555 6.688 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 2323985181 WWLLBRLFTBKBCU-UHFFFAOYSA-N 435.451 5.916 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)ccc1OCc1cccc(C)c1 2324048029 IGIILNZGJOFKQI-UHFFFAOYSA-N 430.500 5.640 30 10 IKEE COC(=O)c1ccc(C=C2Oc3c(ccc(OCCCc4ccccc4)c3C)C2=O)cc1 2324280931 YYODDUMGWFIBQA-UHFFFAOYSA-N 428.484 5.409 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c(C)c1C 2324293756 VNYYONCTWUCRGR-UHFFFAOYSA-N 441.354 7.094 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3cc(OC)ccc3OC)n2)cc1 2324405479 DXWYICIYVDNZSA-QFIPXVFZSA-N 446.572 6.060 30 10 IKEE Cc1ccc(OCCCOc2cc(C)c3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)cc1 2324545562 ATICJMVJSPTQAM-UHFFFAOYSA-N 445.471 5.676 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(Br)c1OCCCO 2324563656 FSAHJNCLHXHCFL-UHFFFAOYSA-N 447.369 5.430 30 10 IKEE N#C[C@H](C(=O)C=Cc1ccc(Cl)c(Cl)c1)c1nc(-c2cccc3ccccc23)cs1 2324637695 ILHCOOHEYVKGIM-LJQANCHMSA-N 449.362 7.160 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(C)cc3)n2)cc1C(C)C 2324693644 XSOQGXKXENHGJN-JOCHJYFZSA-N 430.573 6.449 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OCC(=O)Nc2ccccc2F)cc1 2324693865 OUYSQSDTQHYTCZ-UHFFFAOYSA-N 439.870 5.401 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OCCOc3cccc4ccccc34)cc(C)c2C1=O 2324696900 MDHBXYKDAZBLPS-UHFFFAOYSA-N 436.507 6.531 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O 2325092548 KXNOIQYACVCCGG-NRFANRHFSA-N 442.939 6.237 30 10 IKEE CCOc1cccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccccc2)c1 2325448616 KAMBVLDKBAJTCY-UHFFFAOYSA-N 442.588 5.637 30 10 IKEE Cc1cccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1C 2325722266 NAUAVNDPPAXMFS-UHFFFAOYSA-N 431.444 5.092 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1OC(=O)CCc1ccccc1C 2325729710 KKQJROGBVAKEAK-UHFFFAOYSA-N 434.919 6.091 30 10 IKEE CCCCCCC(=O)Oc1cc(C=CC(=O)c2cc(OC)ccc2OC)ccc1OC 2325744031 FSZLPKNPZDAFHQ-UHFFFAOYSA-N 426.509 5.484 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)c2cccc3ccccc23)c1 2325782124 BCEFVMUWHOGVCY-UHFFFAOYSA-N 442.898 6.617 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)cc(Br)c1O 2325795835 OTIUQVGKOALALD-UHFFFAOYSA-N 432.097 5.375 30 10 IKEE COc1cccc(C=Nn2c(CCCOc3ccc4ccccc4c3)nnc2SC)c1 2325882881 ZYLQXEAAZKRHAV-UHFFFAOYSA-N 432.549 5.056 30 10 IKEE CCCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1cccc(OC)c1 2326336695 CNTYVGSKSPBBEF-UHFFFAOYSA-N 436.625 6.101 30 10 IKEE CCc1nnc(SCc2cccc(C(=O)OC)c2)n1N=Cc1c(Cl)cccc1Cl 2326760264 YGHQXYQCAZETHS-UHFFFAOYSA-N 449.363 5.108 30 10 IKEE CCCOc1ccc(C=Nn2c(Cc3cccc4ccccc34)nnc2SCC)cc1 2327743971 PVBUXIFJMHADAM-UHFFFAOYSA-N 430.577 5.805 30 10 IKEE C=CCOc1ccccc1C=Nn1c(COc2cccc(C)c2C)nnc1SCC(=C)C 2328846797 GSQZJDRKUQEBSY-UHFFFAOYSA-N 448.592 5.589 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccc(C)cc3C)n2N=Cc2ccccc2)c1 2328888145 RQHXRVNNZOEMAG-UHFFFAOYSA-N 442.588 5.957 30 10 IKEE Clc1cccc(CSc2nnc(-c3ccccc3Cl)n2N=Cc2ccncc2)c1 2329610889 GCOVQKUYCJTVHK-UHFFFAOYSA-N 440.359 5.821 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2cccc(F)c2)n1N=Cc1cccc(F)c1 2330078306 KKRBVYJUGWTUBZ-KRWDZBQOSA-N 434.515 5.883 30 10 IKEE CCCOc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccccc2)cc1 2330271491 PVIYZJUCOVSGNJ-UHFFFAOYSA-N 448.636 6.364 30 10 IKEE CCCCCOc1ccc(C=Nn2c(Cc3cccs3)nnc2SC)cc1OC 2330313388 OXLQJDGDZPFZPW-UHFFFAOYSA-N 430.599 5.112 30 10 IKEE Cc1ccc(O)c(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2Cl)c1 2330493540 FMDHFQCPDPYZRH-UHFFFAOYSA-N 448.979 5.711 30 10 IKEE Fc1ccc(C=Nn2c(SCCc3ccccc3)nnc2-c2cccs2)c(F)c1 2330584466 WAVRUCPMXOWTIZ-UHFFFAOYSA-N 426.517 5.502 30 10 IKEE C=CCSc1nnc(-c2cccs2)n1N=Cc1cccc(OCc2ccccc2)c1 2330589788 ZIZAYFYMVGVLLZ-UHFFFAOYSA-N 432.574 5.746 30 10 IKEE Cc1ccc(C)c(OCC(=O)Oc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1C 2330621409 ITPHKVQECPKPFD-UHFFFAOYSA-N 445.471 5.401 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(C)c3)cc2OC)cc1 2330880131 AJJTVUUCPLVJKX-UHFFFAOYSA-N 446.499 5.526 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@@H]2CCCO2)c(Br)c1)c1ccccc1Cl 2330929377 FIKKGLRYQLBTMF-IBGZPJMESA-N 435.701 5.083 30 10 IKEE Fc1ccc(CSc2nnc(C3CCCC3)n2N=Cc2ccc(Cl)cc2Cl)cc1 2331033012 RIQOKVDEGWFEER-UHFFFAOYSA-N 449.382 6.556 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(C2CCCC2)n1N=Cc1ccccc1Cl 2331104207 MTUBYEWBDWOFTK-UHFFFAOYSA-N 449.382 6.556 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC(=O)Cc1ccc(C)cc1 2331152719 DWXAPXAWHHBJFG-UHFFFAOYSA-N 434.919 6.091 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1OCC 2331154736 SARSIJQCVBQZOF-UHFFFAOYSA-N 442.983 7.291 30 10 IKEE Clc1ccc(CSc2nnc(-c3ccco3)n2N=Cc2cccc(Cl)c2)cc1 2331224335 NCKXLDXRDNRXKM-UHFFFAOYSA-N 429.332 6.019 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc4ccccc4n3C)c(Cl)c2)cc1 2331266761 GHJRHYDGLXHMEK-UHFFFAOYSA-N 429.903 6.255 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1N=Cc1c[nH]c2ccccc12 2331325986 LWKZOTGPYSTGPA-UHFFFAOYSA-N 446.580 5.023 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)c1ccccc1F 2331347096 VEVMJUFQFFKAPX-UHFFFAOYSA-N 448.465 6.126 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(SCc2cccc(Cl)c2)nnc1C(C)(C)C 2331408175 FHONYWCTHXWDED-UHFFFAOYSA-N 443.016 6.191 30 10 IKEE COCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1sccc1C 2331592335 WWTNQJNZCANCQZ-UHFFFAOYSA-N 427.382 5.276 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)c(Cl)c2)cc1C 2331706304 ZNNLHHGRJOMULH-UHFFFAOYSA-N 449.890 6.289 30 10 IKEE CN(C[C@H]1CCCCN1Cc1ccccc1)c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2365065120 YOHOGXGXIBYOTF-GQRCBVMOSA-N 447.432 5.217 30 10 IKEE C=C(C)COc1cccc(NC(=O)COc2ccc3ccccc3c2Br)c1 9823857 SEXXCSQDQVIFPS-UHFFFAOYSA-N 426.310 5.575 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)c3ccccc3)ccc1N[C@H]2c1cccc(O)c1 9861371 CHZDRLCOEPDHMX-SANMLTNESA-N 438.527 5.845 30 10 IKEE Cc1c(Cl)ccc2sc(N(CCCn3ccnc3)C(=O)c3ccc(C#N)cc3)nc12 10585965 MTVXYHDGWSZKGU-UHFFFAOYSA-N 435.940 5.063 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(O)c2)cc1 21221149 RGMRRUXTHITNOC-WINIVTDRSA-N 426.516 5.770 30 10 IKEE O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccc(O)c([N+](=O)[O-])c1)Nc1ccccc1N2 21238781 YFIUNLUYPHKXAU-PSLXWICFSA-N 433.489 5.341 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(OC(C)C)cc2)cc1 21248378 KUNYVNKMFUWINA-REWPJTCUSA-N 433.548 5.267 30 10 IKEE Cc1ccc2cc3c(nc2c1C)S/C(=N\CC(C)C)N(Cc1ccc2c(c1)OCO2)C3 33360756 ZGAOVEPDPBXNOH-QPLCGJKRSA-N 433.577 5.700 30 10 IKEE O=C1/C(=C/c2ccc(Cl)c(Cl)c2)Oc2cc(OCc3ccccc3Cl)ccc21 33513946 NJVLYJSTKDIUPV-FBHDLOMBSA-N 431.702 6.842 30 10 IKEE CC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C\c3c(Cl)cccc3Cl)c2C#N)C1 35109746 AEFNJFRNTLIMGK-XPSMFNQNSA-N 433.404 6.729 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O3)CN(Cc1ccccn1)CO2 41645908 XQZCKLSSGHWWCW-CFRMEGHHSA-N 426.516 5.482 30 10 IKEE O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 42888217 NQJHLHUBOAQIFS-UHFFFAOYSA-N 437.283 5.544 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(ccc(OC(=O)Cc4cccs4)c3C)C2=O)cc1 62926578 XBHZABISACMRLR-HAHDFKILSA-N 447.556 5.667 30 10 IKEE CCOc1ccccc1NC(=O)C1CCN(c2c(C#N)cnc3ccc(Cl)cc23)CC1 64473827 YHRZBICQQYOITB-UHFFFAOYSA-N 434.927 5.014 30 10 IKEE CC(C)CCC[C@H](C)[C@@]1(C)CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CCC(=O)C=C1C[C@H]3O 97974470 XUPYJAKXAIEEFL-BUIORPKUSA-N 430.673 5.929 30 10 IKEE CCCCCCCCCCCCOC(=O)NC(=S)OCCn1nnc2ccccc21 100000837 KGSKMXZSBWQZII-UHFFFAOYSA-N 434.606 5.380 30 10 IKEE CCCCCCCCCCCCCCCCNCc1cc(OC)c(OC)cc1Cl 100153195 IONHEJIJWITDAT-UHFFFAOYSA-N 426.085 7.928 30 10 IKEE Cc1ccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N/c3ccc(Cl)c(Cl)c3)S2)c(C)c1 100262705 PCWHAXHRRKPYKP-DVCONVQISA-N 436.364 5.200 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(Cl)cc2)S/C1=N/c1nc(-c2ccccc2)cs1 101130549 MXEAUANDFPXSPA-SFLUQZEPSA-N 437.977 6.254 30 10 IKEE CCCCCCCOc1ccc(C(=O)c2c(C)c(C#N)c(=O)n(C3CCCC3)c2O)cc1 101347677 OZEWNSZLFWBZES-UHFFFAOYSA-N 436.552 5.429 30 10 IKEE CCOc1cc(/C=N/Nc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 169878748 CRBWMJDFEUZGRB-LGJNPRDNSA-N 449.765 7.071 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\n2c(S)nnc2C(C)C)cc1OCC 169909719 MOMWMHAMVCHQAW-ULJHMMPZSA-N 432.634 6.101 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2cccc(OC)c2)cc1 169935661 LYSYDSCTDOZEOI-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCCCCCCCCOc1ccc(C[C@H]2CN(C)CC[C@@H]2O)cc1Br 169943308 RZDLPJFTLAAQOM-FPOVZHCZSA-N 426.439 5.434 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2cccs2)cc1C 169982912 CEHMCNWTDCDQCZ-HSZRJFAPSA-N 431.557 6.271 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2cccs2)cc1 169983018 BTRNFNMAOCOIDN-HSZRJFAPSA-N 447.556 6.053 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2cccc(C)c2)cc1 170028280 ROTCHXBBEMLDAZ-VWLOTQADSA-N 441.527 5.793 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@@H]1c1cccc(OC)c1 170120321 ZLSYFFBTNNCAIR-NRFANRHFSA-N 443.927 5.126 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@@H]1c1ccc(O)cc1 170137315 YUKBUVXNWJDJGZ-QHCPKHFHSA-N 437.536 5.196 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@H]1c1cccc(C)c1 170146632 CIOBDWCBQWOXLT-XMMPIXPASA-N 435.564 5.896 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2OCC)[C@@H]1c1cccc(C)c1 170146723 RHFUZDCRFWNUDK-QHCPKHFHSA-N 437.536 5.171 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2cccs2)c1 170160418 MWHQXIPVCKSVQV-JOCHJYFZSA-N 449.528 5.332 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(OCC)cc1 170214006 DOFQLCRNCUMFCW-IBGZPJMESA-N 434.319 5.380 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccccc2)cc1 170224368 ORTWUTNVUGITAI-VWLOTQADSA-N 441.527 5.819 30 10 IKEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(Cl)c4)[C@@H]3c3ccccc3)ccc2O1 170226971 PKEGWHVYNNDNRN-IQMFZBJNSA-N 445.902 5.446 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccc(F)cc1)c1ccc2ccccc2c1 170242057 YCMSCYXBLNDAJS-XMMPIXPASA-N 438.458 5.152 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccccc2F)cc1 170249377 MVLKSLWVTDJPDJ-HSZRJFAPSA-N 427.431 5.663 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1ccc(CC)cc1 170267749 FKHNZXZGKDKXHB-XMMPIXPASA-N 433.592 6.233 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1ccccc1C 170273291 CBPYIDWVDZCRHQ-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccccc1C 170273774 ZADVVWBEWQUIPT-YKSBVNFPSA-N 447.575 5.358 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC(C)C)c3)[C@H]2c2ccco2)c1 170282896 GKLRLQYDZNJRTN-HSZRJFAPSA-N 431.488 5.406 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)c(C)c2)[C@H]1c1sccc1C 170318813 GYVIQBOUXXBVDE-FQEVSTJZSA-N 427.566 5.532 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]2c2cccc(OC(C)C)c2)c1 170474752 BMJLSAVFCVSOSC-DEOSSOPVSA-N 437.536 5.388 30 10 IKEE COC(=O)c1c(C)oc(NC(=O)/C(=C/c2ccc(OC(C)C)cc2)c2ccccc2)c1C#N 170521489 GSDODNSROUDGJA-KGENOOAVSA-N 444.487 5.213 30 10 IKEE O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2ccccc2)/C1=C(O)\C=C\c1ccccc1 254428874 PGNHDAYBGSOACL-IONABEHBSA-N 449.428 5.888 30 10 IKEE C=CCNC(=S)NN=Cc1cn(CCOc2ccc([C@@H](C)CC)cc2)c2ccccc12 254616873 WLBZRGFXYGYMOQ-IBGZPJMESA-N 434.609 5.218 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)cc1Cl)NC 406217334 KJXZSBBZNUTYRE-IAGOWNOFSA-N 431.802 5.093 30 10 IKEE COc1ccc([C@@H]2C(c3cccc4ccccc34)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526492028 RIBYAVKVKWCDGQ-AREMUKBSSA-N 432.479 5.777 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2ccc(Cl)cc2Cl)[C@@H]1c1cccc(F)c1 526608922 PPPSYAVVMAUGBI-NRFANRHFSA-N 439.273 6.061 30 10 IKEE CCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1ccc(O)c(Br)c1 526811111 BIMALVVZPMIWLN-JJFYIABZSA-N 445.386 5.100 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1ccccc1F 526814091 NSFFOMJBFSYQHA-MSXFZWOLSA-N 437.371 6.241 30 10 IKEE Clc1ccc(CSc2nncn2/N=C\c2cccc(Cl)c2Cl)c(Cl)c1 526823145 GAZMAPVSOVYVIN-HOEBFWFUSA-N 432.163 6.066 30 10 IKEE N#Cc1ccc(NC[C@H]2CN(Cc3ccccc3)CC23CCC3)c(F)c1Br 693752486 RNVGQYIRNSVXLU-SFHVURJKSA-N 428.349 5.174 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@H](C#N)c1ccc(I)cc1 698418057 LCPNZJQBWWOBAL-KRWDZBQOSA-N 440.325 5.426 30 10 IKEE C[C@@H]1[C@H]2CC[C@@H](C[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCC1)N2C(=O)OC(C)(C)C 709330461 KOSSIGKNTBVXTL-YRHGQSLTSA-N 433.593 5.236 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@@H](C#N)c1ccc(Br)c(F)c1 710816087 UIIBUOJFBKDJNE-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE Cc1nc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)sc1Br 719320874 APXIMCAKUSXAFH-CYBMUJFWSA-N 426.311 5.360 30 10 IKEE C=CCC[C@H](NC(=O)c1ccc2c(O)nc(S)nc2c1)c1ccc(C(F)(F)F)cc1 1457712499 AWEVMAJEFBPCHF-INIZCTEOSA-N 433.455 5.080 30 10 IKEE Cc1ccccc1/C=N\N=C1/S/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccco1 1554646324 BMJBJCSURYQOJP-WLUIOLKMSA-N 446.488 5.003 30 10 IKEE CC1(C)[C@H](/C=C(/Cl)C(F)(F)F)[C@@H]1C(=O)O[C@@H](c1ccc(C#N)cc1)C(F)(F)F 1615216757 JCFCFHCAYVNVHL-VPXGEOEKSA-N 425.756 5.662 30 10 IKEE CC(/C=N/N=C1/S/C(=C/c2ccc(F)cc2)C(=O)N1Cc1ccco1)=C\c1ccccc1 1615304730 DFZATLBSPNDLAM-YDKMZGAXSA-N 445.519 5.981 30 10 IKEE CC(C)CC[P+](CCC(C)C)(CCC(C)C)C(=S)Nc1ccccc1C(F)(F)F 1615946734 BQTZBUOTLLHNEE-UHFFFAOYSA-O 448.599 8.558 30 10 IKEE O=C(C[C@@H]1SC(=NN=Cc2c3ccccc3cc3ccccc23)NC1=O)c1ccccc1 1772723192 VMGNTEMQXNYTJR-DEOSSOPVSA-N 437.524 5.188 30 10 IKEE C=CCN(CC=C)C(=O)Oc1cccc2c(NC(=O)c3ccc(OC)c(OC)c3)cccc12 1858948316 UEKYUTUOPVSYOA-UHFFFAOYSA-N 446.503 5.282 30 10 IKEE N#Cc1cccc(C(=O)Nc2cc(NC(=O)CCC(=O)c3cccs3)ccc2Cl)c1 1860463347 VPOPSADAGKDTRA-UHFFFAOYSA-N 437.908 5.127 30 10 IKEE CCCCCCCCCCn1c(C)cc(OCc2cccc(C(=O)OCCC)c2)cc1=O 1860785171 ONNXLPDGIOBTPR-UHFFFAOYSA-N 441.612 6.443 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862393005 LDCHFMANZRWYCR-KSFYIVLOSA-N 436.508 5.314 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2ccc(OCCC)cc2)cc1 1862397399 LHGJTEDDDTYHKH-UQBPGWFLSA-N 449.591 6.195 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccccc1F)c1ccccc1Cl 1862430704 PWFYXWCLGJKEDM-NRFANRHFSA-N 427.903 5.780 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccccc1Br 1862439973 QVAQYMXAWZSLDR-KZULUSFZSA-N 448.744 5.479 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@@H]1c1ccc(F)cc1)c1cccc(Cl)c1 1862442512 JZFPJDUCEODYFT-JOCHJYFZSA-N 439.914 5.948 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2c(F)cc(F)cc2F)=C(O)C(=O)N1C1CCCCC1 1862456432 RQFTZDOLWHIZHF-NRFANRHFSA-N 429.438 5.323 30 10 IKEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccccc2C)cc1 1862475316 IRXVDKVVCAITNQ-KBMIEXCESA-N 441.527 5.652 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1Br 1862487819 KCFFKMXEJQWPGW-LIRRHRJNSA-N 428.326 5.134 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc(Cl)cc2)ccc1F 1862503534 ZHUCHPSSYRCMBS-UPNLOYSTSA-N 441.930 5.945 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(Br)c3)=C(O)C(=O)N2CC(C)C)cc1 1862525082 UKWJWRSRJBDWMK-FQEVSTJZSA-N 442.353 5.246 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1cccc(Cl)c1 1862527284 USUGCANTOJXGRR-GOSISDBHSA-N 448.744 5.481 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C2CC2)cc1 1862582856 OGOZRQWCFQJROT-IBGZPJMESA-N 432.303 5.133 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1[C@H]1CCCC[C@H]1C 1862648439 BBODCPWNMZEDQH-YZXAJQSBSA-N 439.555 6.305 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc(Cl)c1 1862654138 VZJPSOIUSCSOIK-HSZRJFAPSA-N 449.934 5.498 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862665839 PQBFYSPZJAKEFL-QFIPXVFZSA-N 446.459 5.090 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccc2ccccc12 1862666978 PQUADAWXESTBTK-AREMUKBSSA-N 441.571 6.588 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cc(Cl)cc(Cl)c1)c1ccc(F)cc1 1862680161 VOFLGSYYNRKSLR-HXUWFJFHSA-N 448.321 6.044 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccccc1Cl 1862725990 WOYCGXGECQCRIU-BXKMTCNYSA-N 445.946 6.384 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cccc2ccccc12 1862737042 CCHYZFDWBBYXRP-OYHNWAKOSA-N 430.460 5.125 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(F)cc2F)C1=O 1862942644 ZIUXGTFVMWJMJP-UHFFFAOYSA-N 449.844 5.195 30 10 IKEE CCCCCCCCCCNC(=O)C[C@@H](CC)c1cc(Br)ccc1OC 1868197320 VNYMPYATEBUDDF-GOSISDBHSA-N 426.439 6.598 30 10 IKEE C=CCOc1cn(CCc2ccc(OC)cc2)c(CNc2ccc(Cl)cc2C)cc1=O 1870810927 YOJVOTKYUPPMSY-UHFFFAOYSA-N 438.955 5.238 30 10 IKEE CCCCCCCOc1cn(CCOC)c(CNc2cccc(C(C)(C)C)c2)cc1=O 1870831696 HAKZYQMOETZRHY-UHFFFAOYSA-N 428.617 5.754 30 10 IKEE O=C1/C(=C/c2cccc([N+](=O)[O-])c2)Oc2c1ccc1c2CN(Cc2cccc(Cl)c2)CO1 1871348167 VWQHRCIZWITZHT-JJFYIABZSA-N 448.862 5.217 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2sccc2C)C3=O)cc1[N+](=O)[O-] 1871376182 XQSRATRAYCEERO-ODLFYWEKSA-N 435.457 5.417 30 10 IKEE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871376714 FGNXFPGGPJIYPM-XTARUNKESA-N 430.431 5.378 30 10 IKEE O=C1/C(=C/c2cc(Cl)cc3c2OCOC3)Oc2cc(OCCc3ccccc3)ccc21 1871399323 JERZYQJBBZQWOB-FMCGGJTJSA-N 434.875 5.444 30 10 IKEE Cc1cc(C)c(COc2ccc3c(c2C)O/C(=C\c2ccc4c(c2)OCO4)C3=O)cc1C 1871417808 RPIOEFOYWDNUTA-ROTLSHHCSA-N 428.484 5.844 30 10 IKEE Cc1c(OCc2ccccc2C#N)ccc2c1O/C(=C\c1ccc(Br)cc1)C2=O 1871437224 MXJKOCODHAJYMG-UUYOSTAYSA-N 446.300 5.824 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccccc1F)C2=O 1871459135 RXYLSVCTLUGZIO-UCQKPKSFSA-N 431.463 5.330 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)C(C)C)S(=O)(=O)CCC 1871838236 FKKNONDACWRWHO-HSZRJFAPSA-N 444.597 5.060 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(C)c(C)c1 1872527600 GFUAPLGJRLJXQE-DEOSSOPVSA-N 442.625 5.294 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1cc(C)ccc1C 1872556315 CPMYHRBOTIHNLE-QHCPKHFHSA-N 442.625 5.294 30 10 IKEE CC(=O)Nc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c1 1872759694 WKWCJPQMKPUPRW-QHCPKHFHSA-N 437.524 5.926 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 1872777057 FIUNPFAKMXABRN-GOSISDBHSA-N 449.532 5.823 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Cl)c(Cl)c2)=C(c2ccc(-n3cccc3)cc2)C1=O 1873203505 UEHZALPOTYQQPM-UHFFFAOYSA-N 438.314 5.162 30 10 IKEE CCCCCN1C(=O)C(Nc2cccc(C#N)c2)=C(c2cccc(Cl)c2Cl)C1=O 1873338678 HZEURAAAFFDWCS-UHFFFAOYSA-N 428.319 5.247 30 10 IKEE CCOc1ccc(-c2nc(C3=C(N)N(c4ccc(Cl)cc4C)CC3=O)sc2C)cc1 1873530081 ZLOXKKXJDPJJBE-UHFFFAOYSA-N 439.968 5.196 30 10 IKEE N#Cc1cccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(Cc3ccccc3)C23CCCCC3)c1 1873866435 HJKORBIICDLMLC-SANMLTNESA-N 449.554 5.639 30 10 IKEE CCCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccc(Cl)cc1 1874214010 RBPUERUVXHAZFM-BUVRLJJBSA-N 449.407 5.981 30 10 IKEE CCOc1cccc(/C=N/n2c(CCCOc3c(C)cccc3C)nnc2SCC)c1 1874225574 RPMFWVWDSZWMNU-KOEQRZSOSA-N 438.597 5.299 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(CCCOc2cccc(C)c2)nnc1SC 1874245677 QJYVIRWBZGLDGI-YZSQISJMSA-N 446.576 5.364 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccccc3C)n2/N=C/c2cccnc2)CC1 1874285790 YKQCLJNGIFURPL-MTDXEUNCSA-N 447.652 6.620 30 10 IKEE C=CCSc1nnc(CCc2ccc(OC)cc2)n1/N=C/c1c(F)cccc1Cl 1874307037 CMIDKKPKAWJQDE-ZVHZXABRSA-N 430.936 5.025 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2cccc(Cl)c2)n1/N=C/c1cccc(O)c1 1874401019 FZBIEFJMZHWCOA-CIRUFVMISA-N 448.979 5.963 30 10 IKEE Cc1ccccc1CSc1nnc(-c2cccs2)n1/N=C/c1cn(C)c2ccccc12 1874421124 WKLIXJHGDWWLIY-AFUMVMLFSA-N 443.601 5.981 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3ccccc3C)nnc2-c2ccco2)cc1 1874464609 SGTRSLPNUMPJBB-PCLIKHOPSA-N 432.549 5.810 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(CCCC)nnc2SCc2ccccc2)cc1 1874476527 PTBPDQORHGUCHF-LGUFXXKBSA-N 436.625 6.364 30 10 IKEE CCc1ccc(/C=N/n2c(COC)nnc2SCc2ccc(Cl)c(Cl)c2)cc1 1874505982 IJODZLOVGDQKSP-FOKLQQMPSA-N 435.380 5.468 30 10 IKEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(C)cc3C)nnc2C(C)C)cc1 1874514541 CMDTYNXZUCBWTO-AFUMVMLFSA-N 435.597 5.194 30 10 IKEE Fc1cccc(CSc2nnc(C3CC3)n2/N=C/c2cccc(Br)c2)c1 1874518240 JSORIFJINHTACX-SSDVNMTOSA-N 431.334 5.232 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CC3)n2/N=C/c2cccc(Br)c2)c1 1874519719 IOAPAGXOYTYIPK-FSJBWODESA-N 441.398 5.709 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(CC)nnc2SCc2ccccc2F)cc1 1874527045 UAQFWJIBNAHMHH-PCLIKHOPSA-N 426.561 5.723 30 10 IKEE CCOc1c(/C=N/n2c(CC)nnc2SCc2cccc(Cl)c2)cccc1OC 1874527685 ARDNTPMJGRIURR-YDZHTSKRSA-N 430.961 5.076 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2cc(C)ccc2C)cc1 1874572247 CXMPZULLPZZFQV-ACCUITESSA-N 447.962 6.433 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(F)cc2F)c1OCC(=O)Nc1ccc(F)cc1 1874576265 FXDOGXKKHZUXKA-LFYBBSHMSA-N 441.405 5.026 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2c(OCC(=O)OCC(C)C)ccc3ccccc23)cc1 1874578178 ZZDRYQWSOLXMNE-CCEZHUSRSA-N 432.516 5.713 30 10 IKEE CCc1ccc(NC(=O)COc2c(/C=C/C(=O)c3ccc(F)c(C)c3)cccc2OC)cc1 1874581568 UDHSWBARTSEUGZ-RVDMUPIBSA-N 447.506 5.619 30 10 IKEE CCCOC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(OCC)cc1OCC 1874589255 BPSSCTFQXNFNPQ-YRNVUSSQSA-N 446.927 5.366 30 10 IKEE O=C(COc1cccc(/C=C/C(=O)c2ccc3ccccc3c2)c1)Nc1ccc(F)cc1 1874592967 LNNKHMYYIKFBDY-OVCLIPMQSA-N 425.459 5.893 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1ccc(Br)cc1 1874593605 RYRWCLNUNSFHGH-AWNIVKPZSA-N 438.277 5.832 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)cc1 1874606608 XDUMSHXNROJRKZ-XMHGGMMESA-N 441.571 6.560 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OCc2c(F)cccc2Cl)cc1 1874635193 IMXPNPAORIZTSW-RVDMUPIBSA-N 436.954 7.560 30 10 IKEE CCCOc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)cc3)c2)cc1 1874698127 XFCRBXALNYNPCQ-CXUHLZMHSA-N 430.500 5.528 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)c1)c1ccc(F)c(F)c1 1874710784 JHUHQBJARJWTNZ-RHYMJRRZSA-N 438.857 6.223 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1OC(=O)C(F)(F)F 1874711291 YHIQVTKWBVAWDO-NTUHNPAUSA-N 442.389 5.851 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccc(OC(=O)c2ccccc2[N+](=O)[O-])c1 1874715995 WKGKRXPDPJGQTK-FYWRMAATSA-N 443.499 6.316 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1OC(=O)c1ccccn1 1874717566 BXCAKYCNBFQXST-WEVVVXLNSA-N 428.271 5.512 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3Cl)c(OC)c2)c1 1875104074 DXEKCVXXDXCOAS-ZRDIBKRKSA-N 436.891 5.401 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1cccs1 1875105263 LRWPERPBZAWQCK-WEVVVXLNSA-N 447.339 6.569 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)cc2F)cc1)c1cccc(Br)c1 1875114746 TUSNXQSCOORWEM-IZZDOVSWSA-N 443.243 5.843 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)cc3)cc2OC)cc1 1875115356 ZKYRJPLJJVFWMY-PJQLUOCWSA-N 432.472 5.218 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC(=O)Cc1ccc(F)cc1 1875122354 KHNNKOHOURVPPK-ONNFQVAWSA-N 426.390 5.157 30 10 IKEE Cc1cccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2)c1C 1875148290 ADSNOFIVMUVMEL-WOJGMQOQSA-N 442.555 6.481 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)COc1ccc(Cl)cc1 1875159062 ALEIHHNYMKZDBB-SWGQDTFXSA-N 440.854 5.368 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(Cl)cc3)cc2)c1C 1875168630 NCLPQGNBHULYIC-NTEUORMPSA-N 432.947 6.618 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)CC(C)(C)C)c(Cl)c2)c1 1875172507 YCLXOJJZXOEBTM-DHZHZOJOSA-N 444.955 6.375 30 10 IKEE CCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc1OC 1875182224 SHTDJWSBQFVZJU-CMDGGOBGSA-N 432.900 5.276 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)CCCSC)c(Cl)c1 1875192927 KONULVFYHACUPM-VMPITWQZSA-N 439.360 5.947 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](CCC(C)(C)C)NC(=O)OC(C)(C)C 1922067877 FFKBVKHEMWTIJQ-PKTZIBPZSA-N 432.649 5.847 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@H](CCc1ccccc1)NC(=O)OC(C)(C)C 1922075984 AXRPYDPDMTVXGV-LOSJGSFVSA-N 438.612 5.264 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CC1(NC(=O)OC(C)(C)C)CCCCC1)NCCC 1922078659 YLPYINWPDHITCD-HSZRJFAPSA-N 430.633 5.745 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1csc([C@@H](C)NC(=O)OC(C)(C)C)n1 1922080525 OVBIPPYYQJZEPL-WIYYLYMNSA-N 445.629 5.543 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 1944698079 ODIJUTSQTALYAZ-APWZRJJASA-N 449.979 5.621 30 10 IKEE CCCN[C@@H](CC#CC(C)(C)C)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1947476853 WRPMDNJTCDXVCH-GOTSBHOMSA-N 430.633 5.294 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)CCC[C@@H]2C[C@@H]21 1949680986 QMWAXFCRISIQMR-ZGXDEKTJSA-N 428.617 5.211 30 10 IKEE CCCCCCCC[C@H](N)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997454550 FEIDTKIVMRIGAE-OZXSUGGESA-N 432.649 5.908 30 10 IKEE C=CC1(C[C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)CCC1 2002626741 AVXIZQRCBAYKAC-AKIFATBCSA-N 430.633 5.600 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(CC2CC2)C(=O)OC(C)(C)C)C[C@H]1C1CCC1 2018419914 MXOFATBBGQJZLQ-CYFREDJKSA-N 433.593 5.095 30 10 IKEE CC(C)[C@H]1CC[C@H](C)C(=CNc2ccccc2NC=C2C(=O)[C@@H](C(C)C)CC[C@H]2C)C1=O 2052073698 DKFUOMWETOKXBE-CIAFKFPVSA-N 436.640 6.821 30 10 IKEE Cc1ccc([C@H](C2CCC2)n2nc(C(F)(F)F)c(/C=N/O)c2Br)c(C)c1 2079087742 QRMYYFKCBPVRMO-RRDOOKONSA-N 430.268 5.479 30 10 IKEE Cc1cc(O)c([C@H](n2nc(C(C)(C)C)c(C=NO)c2Br)C(C)(C)C)cc1C 2080025062 MVCPHLCMYVYBKP-SFHVURJKSA-N 436.394 5.709 30 10 IKEE Cc1cc(O)c([C@@H](n2nc(C(F)(F)F)c(C=NO)c2Br)C2(C)CC2)cc1C 2080031209 YTFGJCSRLPRFQZ-OAHLLOKOSA-N 446.267 5.184 30 10 IKEE CC(C)Oc1ccc([C@@H](n2nc(C(C)(C)C)c(C=NO)c2Br)C2(C)CC2)cc1 2080060997 KGRMRLHCFWLWAL-LJQANCHMSA-N 448.405 5.928 30 10 IKEE COc1ccc([C@@H](n2nc(C(C)(C)C)c(C=NO)c2Br)C(C)(C)C)c(F)c1 2080073195 GAZOEHSTBYAKHO-QGZVFWFLSA-N 440.357 5.534 30 10 IKEE C=C(Br)CN(Cc1ccc(Br)cc1)C(=O)OCc1ccccc1 2081128931 KJWQNPPSHSMTRY-UHFFFAOYSA-N 439.147 5.497 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@@H](C#N)c1cc(Cl)cc(Br)c1 2088228358 UXJBBHNKXMDDIQ-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)C(C)(C)[C@@H]1CCCCO1 2151440975 VNXDRGDOBSZSCR-ROUUACIJSA-N 437.378 5.678 30 10 IKEE C=CCN(CC[C@H](Cc1cc(Br)ccc1F)NCCC)C(=O)OC(C)(C)C 2155517761 XXBSZIKGDZDIIV-GOSISDBHSA-N 443.401 5.312 30 10 IKEE CC[C@]1(CNc2cc(Br)c(C#N)cc2F)CCCCN1C(=O)OC(C)(C)C 2162424300 YSJHRAWLAJIHHQ-HXUWFJFHSA-N 440.357 5.442 30 10 IKEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@H](CNc2cc(Br)cc(F)c2C#N)C1 2163687794 IJNSPIDTHXHTEM-CYBMUJFWSA-N 440.357 5.155 30 10 IKEE CCC#CC[C@H](NCCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2174138464 NNNHBBSPWLDPJW-VQTJNVASSA-N 437.422 5.057 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)C1=CCCCCCC1 2237403507 VRDFOQCOJKCNOD-IBGZPJMESA-N 436.390 5.735 30 10 IKEE CN[C@H](C#Cc1ccc(C)cc1)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2239636846 VQEOZZYLWDKILB-LJQANCHMSA-N 429.358 5.417 30 10 IKEE CC1(C)OB(c2c(Cl)cccc2C(=O)N(Cc2ccccc2)C2CCCC2)OC1(C)C 2256088573 JLNMFXYMCCWTEQ-UHFFFAOYSA-N 439.792 5.224 30 10 IKEE N#Cc1cc(Br)cc(Oc2cc(I)ccc2Cl)c1 2259922381 SCBXYWSTYJGJBX-UHFFFAOYSA-N 434.458 5.371 30 10 IKEE C=CC[C@@]1(COc2cc(Cl)c(Br)cc2N)CCN(C(=O)OC(C)(C)C)C1 2272233440 CROSHZRYHUQEJV-LJQANCHMSA-N 445.785 5.267 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(Nc3c(Br)cccc3C#N)CCCCC[C@H]12 2285171770 QKWCKRAJQZDKHT-UWJYYQICSA-N 434.378 5.445 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)[C@](C)(CC(C)C)NC(=O)OC(C)(C)C 2285415133 FJCBOMZJNAPXFH-KNQAVFIVSA-N 437.422 5.108 30 10 IKEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Br)cc(C(C)(C)C)c1 2288658177 YUPNWLLXJZEEIX-RBUKOAKNSA-N 437.422 5.314 30 10 IKEE C=C([C@H](OCCC(=O)O)c1scc(Br)c1Br)C(C)(C)C 2291117121 YCIXFOIROSPAKN-LBPRGKRZSA-N 426.170 5.408 30 10 IKEE CC(C)=CCOc1ccc2c(c1)OC(=Cc1cc(Br)cc3c1OCOC3)C2=O 2296590778 XCANVDHZGAROIG-UHFFFAOYSA-N 443.293 5.277 30 10 IKEE CCN=C1S[C@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1C1CCCCCC1 2297451533 YOGWQOHIDGWWFP-MRXNPFEDSA-N 442.412 5.365 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@H]1C[C@@H]2CC[C@H]1CN(C(=O)OC(C)(C)C)C2 2298032896 DLLXNLKHUQZJGN-ZJZGAYNASA-N 428.617 5.021 30 10 IKEE CCCN[C@H](C#CC1(OC)CCCC1)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 2300742637 AXDVRKCSCHZPCS-HSZRJFAPSA-N 428.617 5.145 30 10 IKEE C=CCOC(=O)C=Cc1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1 2314019545 OCKRZJOSCKBTJX-UHFFFAOYSA-N 425.681 5.563 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Cl)cc(Br)c1F 2315454036 SNGJYIYVFRWXTF-HOCLYGCPSA-N 435.765 5.362 30 10 IKEE CC#CCN(C[C@H](NCC)c1ccc(Cl)cc1Br)C(=O)OC(C)(C)C 2316116000 FSOWUMMZGRDHQS-KRWDZBQOSA-N 429.786 5.014 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2N=Cc2cccc(Cl)c2)c(C)c1 2320915320 QDJDMJLOXOIGIS-UHFFFAOYSA-N 439.972 5.039 30 10 IKEE CCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1N=Cc1c(Cl)cccc1Cl 2320969109 NBJGWBFDXRABIZ-UHFFFAOYSA-N 448.379 5.069 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C)n2N=Cc2c(Cl)cccc2Cl)c1C 2321086112 UUDDLNPRZNTIJI-UHFFFAOYSA-N 448.379 5.123 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O3)CN(CCOC(C)C)CO2 2322016024 XFWLMXVYJJJJPQ-UHFFFAOYSA-N 448.346 5.495 30 10 IKEE COc1ccc([C@H](C)N2COc3ccc4c(c3C2)OC(=Cc2ccc(F)cc2)C4=O)cc1 2322238739 CJXAPEMKQFCYDX-INIZCTEOSA-N 431.463 5.364 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Br)ccc2OCc2cc(C)ccc2C)cc1 2322353470 AFBVLNGPUJHXQR-UHFFFAOYSA-N 449.388 7.103 30 10 IKEE Cc1ccccc1COc1ccc(Cl)cc1C=CC(=O)c1ccc(Cl)cc1Cl 2322391092 YXKDSXQKLMUUMG-UHFFFAOYSA-N 431.746 7.430 30 10 IKEE COc1cccc(C=CC(=O)c2cccc(Br)c2)c1OCc1cccc(C)c1 2322466287 QGRMSDPHKKCRJU-UHFFFAOYSA-N 437.333 6.241 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(F)c(C)c2)c1OCC(=O)Nc1ccc(F)cc1 2322638329 SSCFSQKGVXCVMB-UHFFFAOYSA-N 437.442 5.195 30 10 IKEE CCCOC(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccc(OC)c(Cl)c1 2322974972 DUHZQFPYLJVNFV-UHFFFAOYSA-N 438.907 5.730 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1OCC(=O)Nc1ccccc1 2323053055 MNYFQVSKSREGQA-UHFFFAOYSA-N 441.527 5.488 30 10 IKEE Cc1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)cc1 2323063632 WXDWOMQFFROXLY-UHFFFAOYSA-N 441.439 5.447 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCc3cccc(Cl)c3)c2)c(OC)c1 2323282898 CPEHWBOPTVEUIK-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccccc1Br)C2=O)c1cccc(F)c1 2323288991 FARXXTSBXLCFIK-UHFFFAOYSA-N 439.236 5.424 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1 2323461191 IFYVJJNRUCEILQ-UHFFFAOYSA-N 441.354 7.040 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(OC)c2)cc(OC)c1OCc1cccc(F)c1 2323510662 BCUWECSQCBSMOJ-UHFFFAOYSA-N 432.491 6.047 30 10 IKEE O=C(COc1ccc(Cl)cc1)Oc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O 2323532794 RNIYQDHVHHXLSK-UHFFFAOYSA-N 432.859 5.497 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2)C3=O)c(OCC)c1 2323784620 VPGKIBCTCGWXID-UHFFFAOYSA-N 444.483 5.628 30 10 IKEE COc1ccccc1-c1csc(NN=Cc2cccc(OC)c2OCc2ccccc2)n1 2323840581 UPUIJLOOWLLPPS-UHFFFAOYSA-N 445.544 5.852 30 10 IKEE CCCOc1c(Cl)cc(C=NNc2nc(-c3ccc(C)cc3C)cs2)cc1Cl 2323858642 XTYJFZQLUQLHSE-UHFFFAOYSA-N 434.392 6.969 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OCC(=O)Nc1ccccc1CC 2324195032 QTQXIZVXFPXDHL-UHFFFAOYSA-N 447.506 5.700 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1sccc1C)C2=O 2324339335 QRXMXAHCRSXYLJ-KRWDZBQOSA-N 447.556 5.950 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(O[C@@H](C)C(=O)Nc4cccc(C)c4C)c3C)C2=O)cc1 2324504838 HZIRPHMDDXFIEN-FQEVSTJZSA-N 441.527 5.942 30 10 IKEE COc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3cc(C)ccc3OC)cs2)cc1OC 2324572629 XSNRTXNAIPKGQT-GOSISDBHSA-N 434.517 5.034 30 10 IKEE Cc1c(OCC(=O)N[C@@H](C)c2ccccc2)ccc2c1OC(=Cc1ccc(Cl)cc1)C2=O 2325019972 WIIYQZXUEQRJLS-KRWDZBQOSA-N 447.918 5.521 30 10 IKEE CCCCCOC(=O)COc1ccc2c(c1)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2325041269 YWMLDUDNHIJYDO-UHFFFAOYSA-N 435.303 5.722 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2cccc(F)c2)C3=O)c1 2325721614 IRLMEDXRSFEKBG-UHFFFAOYSA-N 431.463 5.385 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2Cl)C3=O)c1 2325740901 BJAQYSKZAKSFDN-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)CCc3ccc(Cl)cc3)c2)cc1C 2325771313 BYWSFFYXOWNZIH-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE CCCOc1ccc(C=Nn2c(CCCOc3ccccc3Cl)nnc2SC)cc1 2326043213 HLDDVYBMMNRXEA-UHFFFAOYSA-N 444.988 5.336 30 10 IKEE Cc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccccc2Cl)o1 2326552455 LZVUXODLISJOKY-UHFFFAOYSA-N 436.968 5.793 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1N=Cc1cccc(Cl)c1Cl 2326736266 GEUKZYOWCHOAGP-UHFFFAOYSA-N 437.371 6.241 30 10 IKEE C=CCSc1nnc(COCc2ccccc2)n1N=Cc1ccc(OCCCC)cc1 2329352652 NOSSPKIKDNBGEI-UHFFFAOYSA-N 436.581 5.334 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccc(F)cc3)n2N=Cc2cccc(O)c2)c1 2329842690 PMSHIBQVGMMHHQ-UHFFFAOYSA-N 446.551 5.505 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2cccs2)n1N=Cc1ccc(C(=O)O)cc1 2330330678 PSZXHJDHSAUSOX-UHFFFAOYSA-N 448.573 5.112 30 10 IKEE Oc1cccc(C=Nn2c(Cc3cccs3)nnc2SCc2ccc(Cl)cc2)c1 2330423217 WBPBYWYQTIWWGE-UHFFFAOYSA-N 440.981 5.464 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1ccco1 2330608871 DWGAEAIDLCMLTI-UHFFFAOYSA-N 438.479 6.461 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccn3)c(Br)c2)cc1 2330747924 NLRKEAQTUMVRSO-UHFFFAOYSA-N 436.305 5.522 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)C(F)(F)F 2330820898 WUQQNBGGUMYZIS-UHFFFAOYSA-N 433.209 5.756 30 10 IKEE O=C(Cc1ccc(Cl)cc1)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1Cl 2331142602 BGYNBADGOMKAJC-UHFFFAOYSA-N 445.729 6.691 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(Cl)cc2)cc1OCC 2331150102 NGCBLWCBSBSCPV-UHFFFAOYSA-N 449.374 7.164 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc(Br)c1OC(=O)C(F)(F)F 2331182683 XNXRJDAYHGMXSH-UHFFFAOYSA-N 443.215 5.212 30 10 IKEE Fc1ccccc1C=Nn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccco1 2331229816 OGZJOZNAOITUJS-UHFFFAOYSA-N 447.322 6.159 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2331326894 QHRQYUVIYFYKJG-UHFFFAOYSA-N 445.471 5.726 30 10 IKEE C=CCSc1nnc(CCCC)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2331343092 SILVGCSWEUBYJD-UHFFFAOYSA-N 441.000 6.013 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccccc1Cl 2331385480 HMMVQJPRKZGMEU-UHFFFAOYSA-N 429.933 5.312 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3Br)cc2)cc1 2331489920 LBNXUFORLUWHBF-UHFFFAOYSA-N 449.344 6.688 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2ccc(C(C)C)cc2)c1 2331496381 QRNMWKHBSMPAQU-UHFFFAOYSA-N 447.608 5.590 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CCC2)cc1 2331525778 LSKIUQWMUWKDIH-UHFFFAOYSA-N 425.001 6.497 30 10 IKEE O=[N+]([O-])c1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CCC2)cc1 2331535420 ARLOPZLTLOEHIK-UHFFFAOYSA-N 443.532 5.782 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)c3ccccc3)c(Cl)c2)c(C)c1C 2331613389 GPGGNGYSZXUVDX-IBGZPJMESA-N 448.946 6.571 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccc(CC)cc2)n1N=Cc1cccc(Cl)c1 2331636926 FRNIJNBINFKDMO-UHFFFAOYSA-N 441.988 5.059 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)Cc1cccs1 2331703599 ZPLDIWGBZPXWEY-UHFFFAOYSA-N 440.948 6.071 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccccc3Cl)c(Cl)c2)c(C)c1 2331768458 GJEOJJZXCWXWHS-UHFFFAOYSA-N 439.338 7.034 30 10 IKEE CCCC(=O)Oc1ccc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1[N+](=O)[O-] 2331812530 VSJYIWKYVKEYGI-UHFFFAOYSA-N 438.263 5.512 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc(Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)c1 2339594781 ZNELHWGREGKYOD-BUHFOSPRSA-N 438.333 5.866 30 10 IKEE CC1(C)CCC[C@@](C#N)(Cc2ccc(I)c(Br)c2)C1 2349877321 CTOMRKKQTOBHJW-MRXNPFEDSA-N 432.143 5.706 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1CNc1cccc(Br)c1C#N 2358976947 GGPOQQTXFZSJJL-KHYOSLBOSA-N 434.378 5.301 30 10 IKEE CC1(C)OB([C@]2(C)CCN(Cc3c(Br)sc4ccccc34)C2)OC1(C)C 2368430315 GWJWKXULYWZKOE-HXUWFJFHSA-N 436.224 5.722 30 10 IKEE O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1c(Cl)cccc1Cl)Nc1ccccc1N2 20881964 IVKUZMAZBFTXIQ-ZAMGYDSWSA-N 441.383 7.034 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccs2)cc1OC 20882019 YSLQKNSPWOPWCF-QUGAMOGWSA-N 446.572 6.135 30 10 IKEE Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC(C)C)cc2)C3)o1 20883641 BOUDWWICOHOTDM-WINIVTDRSA-N 428.532 6.355 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(O[C@@H](C)CC)cc2)cc1 20884477 YCNRAJRIUCOYCI-XZOYJPPVSA-N 447.575 5.657 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C)cc2)cc1 21222298 FJBCKQDFPNVSCH-MNNSJKJDSA-N 438.571 6.763 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(O[C@@H](C)CC)cc2)cc1 21228283 FKQYBTOOMGJBKI-WGGBDISSSA-N 433.548 5.267 30 10 IKEE O=C(/C=C\c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(N2CCOCC2)cc1 33587656 MRPWWQUBTFOASD-NTMALXAHSA-N 428.315 5.986 30 10 IKEE COc1cc(/C=C\C(=O)c2ccc(C)cc2)ccc1OC(=O)c1c(OC)cccc1OC 34954336 XPDTZNJBRHKILX-UVTDQMKNSA-N 432.472 5.136 30 10 IKEE Cc1ccc(-n2c(C)cc3c2CC(C)(C)C/C3=N\OC(=O)c2ccc(Cl)cc2)cc1C 39853137 DUFVTAKMKIRYKV-WEMUOSSPSA-N 434.967 6.589 30 10 IKEE Cc1cccc(/N=C2/S/C(=C\c3cccc(OCc4ccc(Cl)cc4)c3)C(=O)N2C)n1 39863219 VCXOGRNIRRKJOE-WSUVFPRVSA-N 449.963 5.856 30 10 IKEE CCCCOc1ccccc1/C=N/N=C1\NC(=O)[C@H](Cc2cccc(C(F)(F)F)c2)S1 39888391 VWTJQZMIYAUZJX-FOGHPNEFSA-N 449.498 5.049 30 10 IKEE C=CCc1ccccc1OCc1nc2ccccc2n1CCCOc1ccc(C)cc1C 39907109 OXUMAVUFAJYQJT-UHFFFAOYSA-N 426.560 6.430 30 10 IKEE Cc1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=S)Nc2ccccc2)CCC3)cc1 40825330 PIBXJLIHDUXCFP-LGUFXXKBSA-N 433.533 5.143 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1cccc([N+](=O)[O-])c1)C3=O)CN([C@H](C)c1ccccc1)CO2 41587256 HVSKCPFUJSUVQF-NSTHGIQOSA-N 442.471 5.433 30 10 IKEE CCn1cc(/C=C2\Oc3c(ccc4c3CN(C3CCCC3)CO4)C2=O)c2cc(OC)ccc21 41662593 NVLRVSMKUKHVSW-ROTLSHHCSA-N 444.531 5.381 30 10 IKEE Clc1ccc(CSc2n[nH]c(N/N=C/c3ccccc3OCc3ccccc3)n2)cc1 59019179 PNMRGASAPVUCRP-AFUMVMLFSA-N 449.967 5.775 30 10 IKEE CCCCCCCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)O)cc2)cc1 59302585 RTQQRPPAQHNWJC-UHFFFAOYSA-N 426.553 6.904 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)c1ccc(OCCOCC)cc1 100232735 YNSSGSSVBVUICE-UHFFFAOYSA-N 433.677 7.313 30 10 IKEE COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)cc1[N+](=O)[O-] 100287158 IFEXRTOWUKOQPF-YACCPEJUSA-N 437.521 5.540 30 10 IKEE COCCN1C(=O)/C(=C\c2ccc(Sc3ccccc3)o2)S/C1=N/c1ccccc1 101695322 JNZDVOKXDPDMSP-KEWIZWJQSA-N 436.558 5.681 30 10 IKEE Cc1nc(N2C(=O)C(=O)/C(=C(\O)c3cccs3)[C@@H]2c2cccc(Cl)c2)sc1C 103222560 WXJIVONQSKYAPY-SCDSTIRESA-N 430.938 5.101 30 10 IKEE N#Cc1ccccc1COc1cccc(C(=O)NCc2nc(-c3ccccc3)cs2)c1 108827128 GHBMHXMVBWCHCQ-UHFFFAOYSA-N 425.513 5.191 30 10 IKEE CCCCCCCCC[C@@H](NCC)c1cc(Br)sc1Br 115856740 AIJSEYBTDDMJLP-CQSZACIVSA-N 425.274 7.064 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2cccs2)cc1 169921262 BCOQJLUMDXGFHN-JOCHJYFZSA-N 433.529 5.152 30 10 IKEE CCCCCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)c2ccccc2)cc1OCC 169938089 CXNIPZOILLOXOP-HSZRJFAPSA-N 438.593 5.330 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(Oc3ccc(C(C)C)cc3)cc2)NC(=S)N1 169938229 TYPQVUCGNQUMIQ-RUZDIDTESA-N 442.584 6.278 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1Cc1cccs1 169939638 SIJRCPVNDZPVDE-HXUWFJFHSA-N 439.920 5.189 30 10 IKEE CCOc1c(Br)cc(/C=N\Nc2nc(-c3ccccc3)cs2)cc1OC 169942324 WCPFFJGOKMZHRO-NHDPSOOVSA-N 432.343 5.426 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2cccs2)c1C 170158957 IDFODYMVWNEMEZ-QHCPKHFHSA-N 445.540 5.473 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 170226524 RRBUALZMYNVGBK-FQEVSTJZSA-N 434.835 5.031 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@H]1c1ccc(Cl)cc1 170236082 ALKZNMGVVUUNFG-HXUWFJFHSA-N 448.346 5.771 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 170266044 NFBRVMGDSMLZTN-UKILVPOCSA-N 441.527 5.160 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@@H]2c2ccco2)c1 170285732 CKXYPRFVYRGATC-DEOSSOPVSA-N 445.515 5.775 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(C)o2)cc1 170303851 YFQVHWRTGMFEJW-QHCPKHFHSA-N 431.488 5.468 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C(C)C)cc2)c1 170363819 BVFVOXHBUHFJIR-VWLOTQADSA-N 441.527 5.992 30 10 IKEE O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(c2ccccc2F)CC1 244303978 WZKAIQKPOFJFAQ-UHFFFAOYSA-N 435.343 5.217 30 10 IKEE CCSc1nnc(C(F)(F)F)n1N=Cc1ccc(COc2c(C)cccc2Cl)o1 254342934 WLRHMCNOPGIQAT-UHFFFAOYSA-N 444.866 5.425 30 10 IKEE CCOC(=O)c1cc2c(nc1C)-c1ccc([N+](=O)[O-])cc1C2=Nc1cccc2ccccc12 254510482 AFNKSGZTBQRVCO-UHFFFAOYSA-N 437.455 5.778 30 10 IKEE CCN(CC)c1ccc(C=Nc2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c(O)c1 254594432 UOPLVZLFMIOCSJ-UHFFFAOYSA-N 447.604 6.182 30 10 IKEE Cc1ccc(N=C2S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2ccc(O)cc2)cc1 254868684 BVJSFNFFKGSJEW-SEYIQKDNSA-N 445.569 5.879 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)ccc1Br)NCCC 407501964 LNVGXSRRKCTYFV-MSOLQXFVSA-N 445.829 5.483 30 10 IKEE CCOc1cc([C@@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccccc2C#N)ccc1O 526609877 YFFLVIVSMVWZHH-XMMPIXPASA-N 426.472 5.028 30 10 IKEE COc1c(Cl)cc(/C=N\n2c(C)nnc2SCc2cccc(Cl)c2)cc1Cl 526811675 QJYJVFJUUIWYFX-AFPJDJCSSA-N 441.771 5.730 30 10 IKEE COc1ccc(Cl)cc1S(=O)(=O)N(Cc1cccc(C#N)c1)c1ccc(C)cc1F 586259641 GLEXENQULJTKQG-UHFFFAOYSA-N 444.915 5.063 30 10 IKEE CC(C)C[C@@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)C1 698481149 DBYJFICQGKYQDG-JTSKRJEESA-N 435.406 6.689 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=Nc1ccccc1 1083912456 NJFLXUQGAJJPRF-QQAFOXPBSA-N 431.473 5.645 30 10 IKEE O=C(NC1CCCCC1)c1c(N=Cc2cc3c(cc2Cl)OCO3)sc2c1CCCC2 1084350436 PHPNQZDEKDMBJH-UHFFFAOYSA-N 444.984 5.822 30 10 IKEE CCN1C(=O)C[C@H](C(=O)Nc2cccc(C)c2)SC1=Nc1ccc(Cl)c(Cl)c1 1084569969 PAMXLKVQPYBZCR-QGZVFWFLSA-N 436.364 5.282 30 10 IKEE C#Cc1ccc(NC(=O)N(CCC)Cc2nc(O)c3ccc(Cl)cc3n2)c(Cl)c1 1311258197 GWTQBLOEVGILBD-UHFFFAOYSA-N 429.307 5.068 30 10 IKEE C=CCC(C)(C)Cn1c(N2CCC(n3c(O)nc4ccccc43)CC2)nnc1C(C)(C)C 1690439684 MFBPBKDAHLZZMY-UHFFFAOYSA-N 436.604 5.075 30 10 IKEE COc1ccc(/C=C2/SC(=Nc3cccc(C)n3)N(C3CCCCC3)C2=O)cc1OC 1772736808 NBNJEVXUEXEMEG-LLLXPECQSA-N 437.565 5.344 30 10 IKEE N#Cc1ccc(NC(=O)c2cc(-c3ccccc3)n(Cc3c(F)cccc3Cl)n2)cc1 1859381613 SFGOQXHGBFQEOF-UHFFFAOYSA-N 430.870 5.515 30 10 IKEE CSc1ccc(-c2csc(SCC(=O)Nc3sc4c(c3C#N)CCC4)n2)cc1 1860820991 FQHZSZGGLXZZLN-UHFFFAOYSA-N 443.644 5.685 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCSC)NC(=O)c1cccc(Cl)c1 1861048169 JBZFFQKJZXEWBS-FQEVSTJZSA-N 427.054 5.448 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)Cc1c[nH]c2ccccc12 1861388673 MJQLZXZJAAFCRF-HSZRJFAPSA-N 445.673 5.205 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C[C@@H](C)O)cc1 1862381221 UXNKMXQMYUOBHC-ZUOKHONESA-N 448.346 5.076 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cccc(C)c2)cc1 1862389264 BMTROCDOILSCRT-ISKFKSNPSA-N 433.548 5.095 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(F)cc1F 1862416734 JYVMHNCDZPWJDF-FQEVSTJZSA-N 435.417 5.402 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1cccc(Cl)c1)c1ccc(F)cc1F 1862417777 ZUOPAARFNJZNCD-OAQYLSRUSA-N 445.893 5.919 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862429370 LPAOYEVIDUPPOP-HSZRJFAPSA-N 431.919 5.735 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2c(F)cccc2Cl)cc1 1862480864 QNBHJBSPODAZBB-LYLBAIIYSA-N 441.930 5.945 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2cc(Cl)cc(Cl)c2)cc1 1862481711 FGLWFPHVOWDPBS-HXUWFJFHSA-N 448.346 5.043 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc(OCc2ccccc2)c1 1862483937 JODGUBYYAKMKTL-VWLOTQADSA-N 441.527 5.562 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cccc2ccccc12 1862494250 JBPIEDRVENYZDJ-RUZDIDTESA-N 427.544 6.225 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccc(OC)cc2)cc1 1862536004 OUAYEUSXGAHAKT-DEOSSOPVSA-N 445.490 5.175 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1cccc(OCCC)c1 1862596830 PWTFHKVCSBUQPI-HSZRJFAPSA-N 437.536 5.340 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(F)cc1 1862615636 LJMYQLUNRVOUAK-OUPRXKBMSA-N 449.566 6.280 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(OC)c(O)c1 1862619285 RREZZHPGPMXGTL-QFIPXVFZSA-N 437.536 5.077 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(C(=O)OC)cc1 1862620724 YXZQSFLZOYRDBS-JOCHJYFZSA-N 449.547 5.149 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862664958 VMEUPNOCZKOALS-RUZDIDTESA-N 449.591 5.674 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1C(=O)O 1862714891 OSOQTJHIDUOBQG-QHCPKHFHSA-N 443.499 5.307 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1c(F)cccc1Cl 1862727650 JPOFKGJPLCCOTD-HSZRJFAPSA-N 447.893 5.910 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(F)cc2F)C1=O 1862937798 XCBGWDTUJYLSDL-UHFFFAOYSA-N 449.844 5.195 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C)cc2C)=C(c2ccccc2Cl)C1=O 1863444442 SWUODPMIGSSYPC-UHFFFAOYSA-N 438.999 6.509 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccc(F)c(F)c2)=C(c2cccs2)C1=O 1863479171 HBLHNNTUPJERQI-UHFFFAOYSA-N 446.563 6.359 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccc(F)cc2)=C(c2ccc(F)cc2F)C1=O 1863661665 RMLUMRLFKFXZIM-UHFFFAOYSA-N 444.497 5.334 30 10 IKEE N#Cc1ccccc1Nc1cc(N2CCO[C@@H](c3ccccc3)C2)nc(-c2ccccc2)n1 1868372339 DESNKPKRTVTSQT-XMMPIXPASA-N 433.515 5.337 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](Cc1ccccc1)NC(=O)C[C@H](c1ccc(C)cc1)C(C)C 1868696339 SMKPCHBRDSOAOL-UIOOFZCWSA-N 432.608 5.053 30 10 IKEE C=CCN(CC=C)c1cc(N2C[C@H](c3ccccc3)Cc3ccccc32)nc(CCOC)n1 1869114700 LTKWPRAMKOAUHZ-XMMPIXPASA-N 440.591 5.322 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)c2cc(Cl)ccc2Cl)n(-c2ccc(C)cc2)n1 1870001532 IVPWWNIZNRUMIO-UHFFFAOYSA-N 442.350 5.313 30 10 IKEE CCCCCCCCCCNC(=O)c1cn(CCCCCCCCCC)c(=O)cc1O 1870121371 TUAJHFCMJXPFBS-UHFFFAOYSA-N 434.665 6.565 30 10 IKEE CCCCCCCCn1cc(OCC)c(=O)cc1CNc1cc(Cl)cc(Cl)c1 1870784439 NMCCESZJDUKHDF-UHFFFAOYSA-N 425.400 6.526 30 10 IKEE C=CCOc1cn(CCc2ccc(OC)cc2)c(CNc2ccc(C(C)(C)C)cc2)cc1=O 1870810906 XLUSHSIKTGCNCN-UHFFFAOYSA-N 446.591 5.574 30 10 IKEE C=CCn1cc(OCCCCOc2ccccc2)c(=O)cc1CNc1cccc(Cl)c1 1871225838 MIOFTLFZRITICY-UHFFFAOYSA-N 438.955 5.538 30 10 IKEE C=CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(Cl)c(Cl)c1 1871252341 WMVDHWJAMLKTMW-UHFFFAOYSA-N 440.330 5.404 30 10 IKEE COc1ccc([C@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2cccc(C)c2)C4=O)cc1 1871354376 OVWFXGWCQWWSPB-BDFPJNNISA-N 427.500 5.533 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OC(=O)c4cccc(Br)c4)c3C)C2=O)c1 1871364229 MHBQFHQACWKRKL-MTJSOVHGSA-N 449.300 5.901 30 10 IKEE CC(C)=C1Oc2cc(OC(=O)c3ccccc3C(=O)c3ccc(Cl)cc3)cc(C)c2C1=O 1871373245 RFWFZJDHTNSZEY-UHFFFAOYSA-N 446.886 5.968 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2C)C1=O 1871374250 ZTLJSIRDTMNYQI-NHDPSOOVSA-N 449.846 5.700 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1 1871387241 LFUYVRDYNCBNIK-MYYYXRDXSA-N 442.511 6.353 30 10 IKEE Cc1ccc(/C=C2\Oc3c(CN4CCC(N5CCCCC5)CC4)c(O)cc(C)c3C2=O)cc1 1871398893 UZXXZHTZOVHQGD-UQQQWYQISA-N 446.591 5.076 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OCCCOc3ccc(C)cc3)cc(C)c2C1=O 1871405906 LTGMRMBYKYGIDL-XYGWBWBKSA-N 430.500 5.776 30 10 IKEE COc1ccc(OCCCOc2ccc3c(c2)O/C(=C\c2cccc(OC)c2)C3=O)cc1 1871415535 HJZBEAJJCHSCCC-XYGWBWBKSA-N 432.472 5.168 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O 1871432357 AAXFNOPJSLCJOV-XUVWKZFSSA-N 426.484 5.723 30 10 IKEE Cc1cc(OCc2cccc3ccccc23)cc2c1C(=O)/C(=C/c1ccc(N(C)C)cc1)O2 1871434839 UPYISAKSRUTNNF-YUMHPJSZSA-N 435.523 6.409 30 10 IKEE CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O 1871435005 XNEUOGCKGYQBKC-BDBXIWDTSA-N 445.309 5.176 30 10 IKEE N#Cc1ccccc1COc1ccc2c(=O)c(-c3ccc4c(c3)OCCCO4)coc2c1 1871437336 SFRSEPCDIMMDSA-UHFFFAOYSA-N 425.440 5.072 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc(OCCC(=O)Nc4ccccc4)c3C)C2=O)cc1 1871447489 VEGLYYHDLWLQRW-ULJHMMPZSA-N 443.499 5.418 30 10 IKEE N#C[C@H](C(=O)c1ccc(Cl)c(Cl)c1)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872774203 KAQCNEYSULUICL-CYBMUJFWSA-N 431.300 5.378 30 10 IKEE N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 1872869580 IWFAETNTGIEGGM-UHFFFAOYSA-N 430.813 6.062 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(Cl)c(Cl)c2)=C(c2cccnc2)C1=O 1873269576 XOPPEBVJVNPMLD-UHFFFAOYSA-N 446.378 5.941 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(COc2ccccc2Cl)nnc1SCCC 1874267571 DRUPTJKOJILGJY-BUVRLJJBSA-N 442.972 5.460 30 10 IKEE C=C(C)CSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1cccc([N+](=O)[O-])c1 1874269852 RLODDZDKTSUQTI-MFKUBSTISA-N 443.532 5.481 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccc(C)cc3)n2/N=C/c2cccn2C)cc1 1874302067 GDYQOJDKVDJTDG-YZSQISJMSA-N 445.592 5.089 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SCCC)nnc2-c2ccccc2Cl)cc1 1874368113 VOGVGXFFRPFCOL-KOEQRZSOSA-N 443.016 6.552 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C(C)(C)C)cc1OC 1874484057 CNVVWUNSZIAWED-ZMOGYAJESA-N 444.988 5.421 30 10 IKEE CC(C)Cc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(O)c(O)c1 1874490721 HHNDLEIRUJRIQR-AFUMVMLFSA-N 432.549 5.216 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccccc1F 1874492196 CTQTYRULFINZDO-BHGWPJFGSA-N 437.371 6.097 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(SCc2cccc(Cl)c2)nnc1C1CCC1 1874497661 UNZRXJWTSVKIPS-AFUMVMLFSA-N 441.000 6.161 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1ccc(C(C)C)cc1 1874504647 XNGPASNVUMUSKE-AFUMVMLFSA-N 439.560 5.106 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1cccc(OC)c1OCC 1874507422 BZBKTWTYJQOTAF-MFKUBSTISA-N 438.597 5.429 30 10 IKEE O=[N+]([O-])c1cc(/C=N/n2c(SCc3cccc(F)c3)nnc2C2CC2)ccc1Cl 1874518547 YWZDSLQKIVHPRA-LSHDLFTRSA-N 431.880 5.031 30 10 IKEE COc1ccc(OC)c(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CC2)c1 1874520862 ZLNZIOGZGFKLNL-FSJBWODESA-N 428.945 5.001 30 10 IKEE CCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874523968 QCWRCRLCZMCSRV-CVKSISIWSA-N 449.624 5.368 30 10 IKEE CCCOc1ccc(/C=N/n2c(CC)nnc2SCc2cccc3ccccc23)cc1 1874525800 GNMMCLVNIOGJDU-YZSQISJMSA-N 430.577 5.957 30 10 IKEE FC(F)(F)c1nnc(S)n1/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 1874559877 USSBAWVFFWXOJV-LIMNOBDPSA-N 447.269 5.354 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Br)ccc2OCC(=O)OC)cc1 1874573618 XGWDJVAZPCZUFE-ZRDIBKRKSA-N 431.326 5.240 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccc(C)c(C)c2)cc1C 1874573702 AQOBJHFDPWXVBV-JLHYYAGUSA-N 429.516 5.534 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C/C(=O)c2ccc(Cl)cc2)c1 1874578501 QVDPZVQUQCBPRH-YRNVUSSQSA-N 440.326 6.215 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2cccc(C)c2)cc1 1874579809 JRSQJXNSLNBJMH-DTQAZKPQSA-N 429.516 5.697 30 10 IKEE CCCOc1c(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc(Br)cc1OC 1874586181 ZKJITBIXBDHZAM-BQYQJAHWSA-N 433.342 5.768 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2c(C)cc(C)cc2C)c1OCCc1ccccc1 1874590003 NRDYSGXGIQUBQP-ZHACJKMWSA-N 434.963 6.791 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2cccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)c2)c1 1874593920 IJMUWLKDNOXYDR-NTCAYCPXSA-N 439.555 6.096 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OCc3cccc(Cl)c3)c2)cc1C(C)C 1874598352 IBQMUSZRYFAOOK-VAWYXSNFSA-N 434.963 7.256 30 10 IKEE CCN(CC)C(=O)COc1cccc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)c1 1874599779 DALYKPCXASRKPS-MDZDMXLPSA-N 436.335 5.145 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)ccc1OCc1cccc2ccccc12 1874605242 UMDANRZIHATQPX-NBVRZTHBSA-N 436.551 7.276 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Br)c(OCCC)c(OC)c2)cc1 1874607322 IBBKORSRNMWCPN-JLHYYAGUSA-N 431.370 6.485 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccccc3Cl)cc2Cl)c1 1874608953 PNCJPQNGCBOAIV-PKNBQFBNSA-N 440.326 6.215 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])cc1C 1874624922 CRWJSYIXFWFFMF-NYYWCZLTSA-N 448.450 5.264 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2cc(OC)c(OCC)c(OC)c2)cc1 1874625438 FETXYIRNFGRFSL-LFIBNONCSA-N 426.553 6.348 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1OC(=O)c1ccccc1C 1874695330 VNLIDGHJTDTUGQ-YRNVUSSQSA-N 441.310 6.426 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2)cc1OC(=O)CCCOc1ccccc1C 1874700831 OZKADJDNFRZLJC-JQIJEIRASA-N 430.500 5.664 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)CCc3ccccc3)c2)cc1 1874701776 JYZAAZZZAOZRCG-CXUHLZMHSA-N 444.527 5.918 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)cc2Cl)cc1C 1875097536 PWAUMNRXHZRZGI-MDWZMJQESA-N 444.958 6.951 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)Cc3cccs3)c(OC)c2)cc1 1875099833 BBTQFZBANFIWHW-FMIVXFBMSA-N 436.529 5.372 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(N(C)C)cc3)c(OC)c2)cc1C 1875108718 CBOWKBIPDHOIKQ-AWNIVKPZSA-N 445.515 5.194 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)c1cncc(C)c1 1875123011 SGHADPWNOZIXQX-FPYGCLRLSA-N 442.298 5.821 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc3cc(Cl)ccc3n2)cc1)c1ccc(Cl)cc1 1875123098 VUMYLJBRGMFZJN-LZWSPWQCSA-N 448.305 6.657 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)c(F)c3F)cc2)c1 1875145731 QBBBRWJJSAGIKJ-VZUCSPMQSA-N 442.389 5.236 30 10 IKEE COc1cc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)cc3)cc2)c(OC)cc1Cl 1875172708 ILNFLQPEVWWZBQ-MDWZMJQESA-N 436.891 5.781 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC3CCCCC3)c(OC)c2)c(OC)c1 1875178134 VJJJXAZDELZISE-UKTHLTGXSA-N 438.520 5.484 30 10 IKEE C=C(c1ccccc1)[C@@H](NC)c1cc(I)ccc1Br 1888687912 BHLVLVCIHCLERD-MRXNPFEDSA-N 428.111 5.028 30 10 IKEE C[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)CN1C(=O)OC(C)(C)C 1900089536 SEMBLLIPBIDBLV-NYHFZMIOSA-N 435.952 5.373 30 10 IKEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN(Cc1ccccc1)[C@@H](C)c1cccs1 1915408962 ZMZODWVXIQSBPC-NRFANRHFSA-N 447.453 6.119 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C12CCC(NC(=O)OC(C)(C)C)(CC1)CC2 1922095500 VEOFPWIRZAUARY-IVINKASTSA-N 442.644 5.745 30 10 IKEE CC(C)(C)OC(=O)NCC[C@@H]1CC[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 1933917139 MGVDGVONWCTLBH-UQBPGWFLSA-N 443.588 5.401 30 10 IKEE CC[C@@H](NC(=O)OC(C)(C)C)[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1936068224 YDQAAENDBXBYEU-VGSWGCGISA-N 437.968 5.667 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 1945519745 AGMPTPMTPFRTEW-ATZDWAIDSA-N 433.524 5.105 30 10 IKEE CCCCCCC[C@@]1(C(=O)O)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1951702507 JIBCOHDBJKZTCN-HHHXNRCGSA-N 435.564 6.073 30 10 IKEE CC(C)(COc1c(N)ccc(F)c1C#N)CN(Cc1ccccc1)C(=O)OC(C)(C)C 2021620841 TZXRBCLKSAZCEN-UHFFFAOYSA-N 427.520 5.122 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1 2022132371 BZWUZYYAGDZAOU-NTKDMRAZSA-N 429.561 5.276 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1[C@H](C)N(C(=O)OC(C)(C)C)CC[C@H]1C 2022685508 DNDCAPVXWAUZNN-MHHVOYGZSA-N 430.633 5.409 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]([C@@](C)(C#N)N(C(=O)OC(C)(C)C)C2CCCC2)CC1 2023566053 LWIKRHJQSRJPBP-QZTZHPFYSA-N 435.609 5.532 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@@](C)(C#N)N(C[C@H]2CCCO2)C(=O)OC(C)(C)C)cc1 2027949817 WOFZNVHYGWGZEM-NTKDMRAZSA-N 445.560 5.188 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@](C)(C#N)CCCN(C)C(=O)OC(C)(C)C 2049128775 ZIEOPHFOEYIZES-DEOSSOPVSA-N 447.576 5.366 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Br)ccc1Cl)NCCC 2063091044 YOCMPSYVDIPEAU-IAGOWNOFSA-N 431.802 5.093 30 10 IKEE CC[C@@H](c1ccc(C(C)C)cc1)n1nc(C(F)(F)F)c(C#N)c1I 2079978443 AMLGGQREYWAGKP-AWEZNQCLSA-N 447.242 5.501 30 10 IKEE CC(C)c1ccc([C@H](n2nc(C(C)(C)C)c(C=NO)c2Br)C2(C)CC2)cc1 2079980781 JJSDIZULXCGQCW-IBGZPJMESA-N 432.406 6.264 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)c(C)c(Br)c1)NCC 2111272048 GMUYCKVMAUINOK-ZWKOTPCHSA-N 445.829 5.401 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@@H]2Nc2ccc(C#N)c(Br)c2)C1 2156235487 BMPMCBCSZYXGCA-RXVVDRJESA-N 434.378 5.302 30 10 IKEE C=CCC1(Nc2nc3cc(Br)ccc3o2)CCN(C(=O)OC(C)(C)C)CC1 2162336329 WOPVNGNVEWWRLT-UHFFFAOYSA-N 436.350 5.348 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCCCN2c2cccc(Br)c2C#N)CC1 2178253878 ZWWMXGMVLWEPNO-UHFFFAOYSA-N 434.378 5.081 30 10 IKEE CCCCCCC[C@H](N)c1sc(Br)c(Br)c1Br 2216554157 DOHSKNIQHPSLMD-QMMMGPOBSA-N 448.062 6.396 30 10 IKEE C=CCN(C[C@@H](NCCC)c1ccc(Br)cc1Cl)C(=O)OC(C)(C)C 2222751000 HEASVQOSEZSNST-QGZVFWFLSA-N 431.802 5.566 30 10 IKEE C=CCCCCC[C@@H](O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229101588 PVBZGDGURJGAIL-RBUKOAKNSA-N 426.395 5.382 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)CC 2235730899 PITCJIJAZROPBH-PWIZWCRZSA-N 437.422 5.108 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)C[C@@H](C)N(CC)C(=O)OC(C)(C)C 2235745307 BXMGYAPSYDRLSV-IEBWSBKVSA-N 437.422 5.204 30 10 IKEE CCC#CC[C@@H](NCCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237424411 IKHHIHGUUDWDBS-WOJBJXKFSA-N 437.422 5.057 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)CC1 2250516645 KHZPNRREQVYMRU-QHCPKHFHSA-N 449.617 5.559 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cccc(Cl)c1Br 2259399355 ZYRXBJXFWKVNPN-RDJZCZTQSA-N 431.802 5.613 30 10 IKEE C=CCCC1([C@H](N)c2c(F)cc(C)cc2Br)CN(C(=O)OC(C)(C)C)C1 2266311287 YJZUXEHSHSYXBG-QGZVFWFLSA-N 427.358 5.100 30 10 IKEE C[C@@H](N(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F)C(C)(C)C 2267409451 UUWRGJGGMGJKBR-GOSISDBHSA-N 439.380 5.202 30 10 IKEE C=CCN(CC[C@@H](NCCC)c1cccc(Cl)c1Br)C(=O)OC(C)(C)C 2272013457 GSUBBJBHUJBQIM-QGZVFWFLSA-N 445.829 5.956 30 10 IKEE C=CCCC1([C@H](NC)c2cc(Cl)c(Cl)c(Cl)c2)CN(C(=O)OC(C)(C)C)C1 2281054258 VLXNFUAHHOAPOB-QGZVFWFLSA-N 433.807 6.111 30 10 IKEE CCCCCCCCCC[C@@](C)(N)c1cc(Br)c(Br)s1 2281194522 KHVUKVLKUVYEAN-MRXNPFEDSA-N 425.274 6.978 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@](C)(CCC)NC(=O)OC(C)(C)C 2296296721 QVFGUXFVJHFLLB-UGKGYDQZSA-N 437.422 5.252 30 10 IKEE CCOc1ccc(C(=O)C(=CC=Cc2ccccc2OC)c2nc3ccccc3o2)cc1 2296603286 UKKTUGDMLZWILI-UHFFFAOYSA-N 425.484 6.215 30 10 IKEE Clc1ccc(C=CC=Nc2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)cc1 2297235541 PSOZKQIGMSJVFV-UHFFFAOYSA-N 427.718 7.871 30 10 IKEE Cc1cc(C)cc(CN=C2NC(=O)C(=Cc3ccc(-c4cccc(C(=O)O)c4)o3)S2)c1 2313540517 FQFYAFIRMXPZRE-UHFFFAOYSA-N 432.501 5.022 30 10 IKEE Cc1ccc(N=C2NC(=O)SC2=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 2314480562 IIPMKSJCSZGFRT-UHFFFAOYSA-N 429.328 7.089 30 10 IKEE C=C(CNC(C)(C)C)CSc1cc(I)ccc1Br 2316381409 CQIJLQWQUCHAGQ-UHFFFAOYSA-N 440.188 5.090 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@]2(C)CCCCN2C(=O)OC(C)(C)C)cc1 2318947154 RCVPRHMENPAMRY-CJFMBICVSA-N 443.588 5.808 30 10 IKEE CCCCCOc1ccc(C=NNc2oc([C@@H]3C[C@@H]3c3ccccc3)nc2C#N)cc1OC 2320837058 JFXKWLZLXMVNFS-NHCUHLMSSA-N 444.535 5.841 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Cl)ccc1OCC(=O)Nc1cc(C)cc(C)c1 2322484147 SSDIYBWVMUUGEC-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc(OC)c(F)c1 2322708539 JIWSNDIRQBMZHZ-UHFFFAOYSA-N 447.934 5.411 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)c4cc(OC)cc(OC)c4)ccc3C2=O)cc1 2322799746 CEQIFBSCMPUICR-UHFFFAOYSA-N 430.456 5.102 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccccc2OCc2ccc([N+](=O)[O-])cc2)c(OCC)c1 2322910859 ZLAXRPMWNIQQHK-UHFFFAOYSA-N 447.487 5.867 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cc(Br)cc(OC)c1OC 2322926645 UULCLONAWKUJMK-UHFFFAOYSA-N 425.706 5.333 30 10 IKEE CCCCCCCCCOc1ccc(C=NNC(=S)NCC)cc1Br 2323057460 YQAZSYNKPADRLF-UHFFFAOYSA-N 428.440 5.396 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Cl)c(OCc3ccccc3C)c(OC)c2)cc1 2323536135 OUOFQOFCVDIUOD-UHFFFAOYSA-N 448.990 7.475 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(Cl)c1OCc1ccc(C)cc1 2323602342 DNDMEFZZTRAEKE-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(OC)c2)C3=O)CC1 2323651087 VJPNMUXZMGNILQ-UHFFFAOYSA-N 434.532 6.213 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(CC)cc2)C3=O)cc1 2323791853 SNWDXOMRSOHGSW-UHFFFAOYSA-N 428.484 5.792 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(OC)cc2)C3=O)cc1 2323816259 SSWDTISNHXATEA-UHFFFAOYSA-N 430.456 5.319 30 10 IKEE CCCCCCCCCOc1ccc(C=NNC(=S)NC2CCCCC2)cc1OCC 2323840291 JIXKLUOUYQFEQD-UHFFFAOYSA-N 447.689 6.345 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 2323896276 IUAVEINCDQUPPN-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OCC(=O)OCC(C)C)c(Br)c2)c1 2323943985 MCZZYHUDBLQOSW-UHFFFAOYSA-N 445.353 5.540 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 2323983462 IQIUOFPOMMBRMZ-UHFFFAOYSA-N 449.478 6.225 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)cc([N+](=O)[O-])c1OCc1ccccc1 2324000132 YCZFOGKVRQYHTO-UHFFFAOYSA-N 447.487 5.786 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccc(OCc2ccccc2F)cc1 2324319369 ZMBMDSCGUOBKIQ-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE N#C[C@H](C(=O)C=Cc1ccccc1Cl)c1nc(-c2ccc(Cl)cc2Cl)cs1 2324395091 WRYDDDFXGVIRDF-OAHLLOKOSA-N 433.747 6.660 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2ccc(OCc3ccccc3)c(Cl)c2)cc1Cl 2324425877 ALJJVSRIOJHXSY-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OCc1cc(C)ccc1C 2324455910 SNLRKEZEDBIPLQ-UHFFFAOYSA-N 440.583 7.132 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1cc(C)c2c(c1)OC(=Cc1cccs1)C2=O 2325092978 QAVHECJBKRWZRN-IBGZPJMESA-N 428.550 5.954 30 10 IKEE COc1cccc(C=C2Oc3c(ccc(OCc4ccccc4C#N)c3C)C2=O)c1OC 2325357723 XRQIZWYBYQOEBT-UHFFFAOYSA-N 427.456 5.079 30 10 IKEE CCc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2Cl)cc1 2325490695 YGCDDPBERXKHQG-UHFFFAOYSA-N 447.007 6.259 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(Br)cc1 2325544198 HRHMIOCXMYASTI-UHFFFAOYSA-N 433.350 5.307 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(O)c(OCC)c1 2325571504 JOSBCOIQIKBOOV-UHFFFAOYSA-N 430.961 5.163 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2cccc(C=CC(=O)c3ccc(Br)cc3)c2)c1 2325716248 KISUGKKAYJKPIN-UHFFFAOYSA-N 449.344 6.110 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1C 2325738479 QSFMGFMSFHKTCU-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCc4cc(=O)oc5ccc(C)cc45)ccc3C2=O)cc1 2325741468 CHGDYPAYZZPRKG-UHFFFAOYSA-N 438.479 5.859 30 10 IKEE CCCOc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c(F)c3)c2)cc1 2325748463 TWJIZXFDICZDKI-UHFFFAOYSA-N 448.490 5.667 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OC(=O)c1ccc(F)cc1F 2325764408 MQELJBGILFMVEV-UHFFFAOYSA-N 436.454 6.014 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1cccnc1 2325908932 KVJOPPMZOLAROW-UHFFFAOYSA-N 434.352 5.109 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(O)c(Cl)c1 2326359109 XVDJXBCJFIOJDM-UHFFFAOYSA-N 435.380 5.808 30 10 IKEE COc1ccc(C=Nn2c(C)nnc2SCc2ccc(C)cc2C)c(Cl)c1OC 2326437840 AGGKXNKDNLRYKB-UHFFFAOYSA-N 430.961 5.048 30 10 IKEE CCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1ccc(OC(C)C)c(OC)c1 2326442259 ARIAIHVKJTWRAL-UHFFFAOYSA-N 438.597 5.428 30 10 IKEE CCc1nnc(SCc2ccccc2Cl)n1N=Cc1c(Cl)cccc1Cl 2326546581 SYAFNQWWWCBMLW-UHFFFAOYSA-N 425.772 5.975 30 10 IKEE CCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccc(C(C)(C)C)cc1 2327543770 NFWJORGGJWYLIP-UHFFFAOYSA-N 428.989 5.802 30 10 IKEE Cc1ccc(OCc2nnc(SCCc3ccccc3)n2N=Cc2ccccc2)cc1C 2328794594 YWOXNPGGDMKFGN-UHFFFAOYSA-N 442.588 5.691 30 10 IKEE Oc1ccccc1C=Nn1c(COCc2ccccc2)nnc1SCc1cccc(F)c1 2329317469 YAOLQKSWQCPZKF-UHFFFAOYSA-N 448.523 5.014 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2C)n1N=Cc1ccccc1O 2329470048 GATYLJMKFOMSPJ-UHFFFAOYSA-N 442.588 5.560 30 10 IKEE Cc1ccccc1C=Nn1c(Cc2ccc(F)cc2)nnc1SCc1ccccc1C 2329805365 KVUJUSHNIDHTPB-UHFFFAOYSA-N 430.552 5.799 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccc(O)cc2)cc1 2329943818 MJRLGPZKKLLCQH-UHFFFAOYSA-N 432.524 5.197 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3cccc(C)c3)c(OC)c2)c1 2330777923 LXDVKWVIBAOEQJ-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)c(C)c3)c(OC)c2)c1 2330799929 UJYFUHZAOYUXJV-UHFFFAOYSA-N 434.463 5.196 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1 2330824634 DVAJPEJZHSUEPE-UHFFFAOYSA-N 434.535 7.298 30 10 IKEE CCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC 2331032996 OIDFAFXZNAFNJP-UHFFFAOYSA-N 431.872 5.639 30 10 IKEE CCCN(CCC)C(=O)CSc1nnc(C2CCCC2)n1N=Cc1ccccc1Cl 2331089772 PWIJECDXTIVOJB-UHFFFAOYSA-N 448.036 5.212 30 10 IKEE Cc1cccc(CSc2nnc(C(F)(F)F)n2N=Cc2ccc(Cl)c(Cl)c2)c1 2331123046 VFHCZGVOWJLKDY-UHFFFAOYSA-N 445.297 6.087 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccco2)c(Br)c1)c1cccc(Cl)c1 2331123745 OKUXHHBSZNWKIZ-UHFFFAOYSA-N 431.669 5.811 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OC(=O)c1ccc(OC)cc1 2331174059 LSZYQBWXBRGZSO-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OC(=O)C(F)(F)F 2331408997 HFIFECOKQUFULK-UHFFFAOYSA-N 440.845 6.010 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc(OC)c1OC(=O)CCCC 2331670087 RXRLVBNVSTXGAO-UHFFFAOYSA-N 436.548 6.041 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(OC)c(Cl)cc2OC)ccc1OC(=O)C(C)(C)C 2331692708 GMHNVOHRTYWQPZ-UHFFFAOYSA-N 446.927 5.604 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(C3CC3)n2N=Cc2c(Cl)cccc2Cl)cc1 2331735334 LHXKTDCDJDJKAH-UHFFFAOYSA-N 448.335 5.545 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)ccc1OC(=O)CC(C)(C)C 2331761473 PZYHMAZSADFVEM-UHFFFAOYSA-N 430.928 5.903 30 10 IKEE COC(=O)c1nc(-c2cccs2)oc1NN=Cc1ccc(OCc2ccccc2C)cc1 2331931628 ZAJHQUCRKINBSP-UHFFFAOYSA-N 447.516 5.523 30 10 IKEE N#Cc1nc(-c2cccs2)oc1NN=Cc1ccc(OCc2cccc(Cl)c2)cc1 2331938147 IZJPFVKWVMYRKN-UHFFFAOYSA-N 434.908 5.953 30 10 IKEE CC[C@H](CCCNC(=O)OC(C)(C)C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339587064 ORURWDCUTUOGAS-LJQANCHMSA-N 446.397 5.189 30 10 IKEE Cc1cc(CN(Cc2ccccc2)[C@@H](C)c2cccs2)cc(B2OC(C)(C)C(C)(C)O2)c1 2343697455 WCIHOGDLZNTIRJ-NRFANRHFSA-N 447.453 6.119 30 10 IKEE CC(C)(C)OC(=O)N[C@]1(C)C[C@H]2CC[C@H]1C[C@@H]2Nc1cc(Br)ccc1C#N 2380857573 XAHJMSKONZNARF-UBIBAOAHSA-N 434.378 5.205 30 10 IKEE COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccncc2)c1 21236230 SHZONUADICXSLJ-QLXKLKPCSA-N 427.504 5.078 30 10 IKEE Cc1ccc(C)c(S(=O)(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)c1 21356340 BVYIGKSZOMPRNC-VWLOTQADSA-N 448.544 5.266 30 10 IKEE COc1c(/C=N/c2cccc3ccccc23)cc(C)cc1/C=N/c1cccc2ccccc12 22022737 SNRYWPZKLRKSQQ-GKTLAHRSSA-N 428.535 7.811 30 10 IKEE Cc1cccc(N/C(=N\C(=O)c2ccc(C(C)(C)C)cc2)NCc2c(C)nn(C)c2C)c1C 32972329 HWJNHQKFQIHCND-UHFFFAOYSA-N 445.611 5.349 30 10 IKEE CCCOc1ccc(/C=C\C(=O)c2ccc3c(c2)Nc2ccccc2S3)c(OCCC)c1 33481393 BSXCEIFYZAJMOI-RAXLEYEMSA-N 445.584 7.369 30 10 IKEE C=CCc1ccccc1OCCCCn1c([C@@H](O)c2ccccc2)nc2cc(C)c(C)cc21 40310545 KCESNVACCHDEGO-NDEPHWFRSA-N 440.587 6.323 30 10 IKEE COc1ccccc1C(=O)Oc1ccc2c(c1C)O/C(=C\c1ccc(C(C)C)cc1)C2=O 41285634 PGDISJYAYQWRSG-IWIPYMOSSA-N 428.484 5.962 30 10 IKEE O=[N+]([O-])c1ccc(NN/C(=N/c2cc(Cl)ccc2Cl)C(F)(F)F)c([N+](=O)[O-])c1 59378426 ISNNTMFANLYUHQ-UHFFFAOYSA-N 438.149 5.019 30 10 IKEE CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@H]2c1ccc(Cc2ccccc2)cc1 59461908 GCPUYOSAHPNVLG-XCZPVHLTSA-N 445.562 6.320 30 10 IKEE CC1(C)CS/C(=N/Cc2ccccc2)N1C(=O)/C=C\c1ccc(Cl)c([N+](=O)[O-])c1 96585304 DKSGKFAHSLYVHS-DBZNOXMESA-N 429.929 5.172 30 10 IKEE CCCCCCCSc1nnc2c(n1)O[C@H](c1ccc(O)c(O)c1)Nc1ccccc1-2 101007162 OQXASWCPKCASKJ-OAQYLSRUSA-N 438.553 5.515 30 10 IKEE Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/S/C(=N/c3ccccc3Cl)NC2=O)o1 103374705 UUPXXSGBQLLEAH-YBFXNURJSA-N 439.880 5.708 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2cccc(C)c2)c1 169966271 FVLJBINNILPIGQ-VWLOTQADSA-N 427.500 5.106 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OCC)c3)[C@H]2c2cccs2)c1 169981725 OQBQVBYCZCRZDM-QFIPXVFZSA-N 449.528 5.328 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2cccs2)c1 169989042 UZBJBIFPSNRVJK-QFIPXVFZSA-N 433.529 5.152 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(C)o1 170100353 UFHUTSKLTUMYCS-OAQYLSRUSA-N 437.879 5.029 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2ccc(F)cc2)c1 170140643 YNAQTCRTZZLAFY-XMMPIXPASA-N 445.490 5.704 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(OCC(C)C)cc1 170167437 SFTQKANFFIFUEZ-HSZRJFAPSA-N 437.536 5.027 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccc(OCC(C)C)c1 170219001 YOOXFAVEUAITPL-QHCPKHFHSA-N 433.504 5.456 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccc2)c1 170223968 CPHFGLCUZPBRHB-QHCPKHFHSA-N 447.918 5.830 30 10 IKEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(C4CCCCC4)[C@@H]3c3ccccc3F)oc12 170251744 RYZBLAGZDBYJNA-JOCHJYFZSA-N 449.478 5.492 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccco2)cc1 170281000 SECPKSGYWJINEE-OAQYLSRUSA-N 432.432 5.094 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc(OCC(C)C)cc3)[C@H]2c2ccco2)c1 170285672 HJBKPFGJPHMXIQ-XMMPIXPASA-N 445.515 5.714 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1ccco1 170295570 NUOAFGYFEQIYEX-HXUWFJFHSA-N 443.883 5.073 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2CCC)c1 170323679 YEHHVWWXNYZZKF-DEOSSOPVSA-N 449.591 6.070 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccc(OCC(C)C)c2)c1 170365707 HVDYROJWENBCMY-RUZDIDTESA-N 441.527 5.813 30 10 IKEE CCc1ccccc1N=C1S/C(=C/c2ccc(O)cc2)C(=O)N1c1ccccc1CC 252616324 JZPDBACNEOGMFU-DNKROPNVSA-N 428.557 6.326 30 10 IKEE CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)SC1=Nc1ccc(C)cc1O 254307934 IELOJIVTFDAMDC-BZMHFZIGSA-N 425.579 5.475 30 10 IKEE CCCCCCCCOc1cccc(C=Nn2cnc3c([nH]c4ccc(C)cc43)c2=O)c1 254350327 KUMGQGIUIIFVHW-UHFFFAOYSA-N 430.552 5.808 30 10 IKEE Cc1ccc(CN(Cc2ccccc2)Cc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 313811815 QXWHVZXVAZTMEY-UHFFFAOYSA-N 427.397 5.497 30 10 IKEE CC(C)COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccc(O)c2)cc1 526488197 KTZCKTNKLWZFEQ-VWLOTQADSA-N 440.499 5.356 30 10 IKEE CCCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2c[nH]c3ccccc23)c1 526517251 UOALWVREIMBZTR-SANMLTNESA-N 449.510 5.886 30 10 IKEE Cc1ccc(SC2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(C)cc3C)C2=O)cc1 526662557 FLDVLBMEFIKZFI-UHFFFAOYSA-N 439.540 5.473 30 10 IKEE CC(C)Oc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Cl)cc2)c1 526709614 HTVLKTMYVVYYFO-QHCPKHFHSA-N 447.918 5.910 30 10 IKEE CCOc1cc(/C=N\n2cnnc2SCc2ccc(F)cc2)cc(Cl)c1OCC 526801312 JYDAEENJTOFFSJ-MYKKPKGFSA-N 434.924 5.043 30 10 IKEE COc1ccccc1/C=N\n1c(Cc2ccccc2)nnc1SCc1ccc(F)cc1 526802215 CPBGXMLBZXDBOS-QQXSKIMKSA-N 432.524 5.191 30 10 IKEE CCc1ccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccccc2F)cc1 526803852 RQFDJSJJNIZOSV-VEILYXNESA-N 444.579 5.939 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccc(F)cc2)c1 526808354 HMFHNJNMYZIGBX-PKAZHMFMSA-N 430.552 5.685 30 10 IKEE CCCCOc1ccc(/C=N\n2cnnc2SCc2ccc(Cl)cc2Cl)cc1 526823867 YFKWCNNNVLDONH-MSXFZWOLSA-N 435.380 5.938 30 10 IKEE N#Cc1ccc(CN(c2ccc(F)c(Cl)c2)S(=O)(=O)c2ccccc2Cl)cc1 586225249 MHIKFSCNJGNMKR-UHFFFAOYSA-N 435.307 5.400 30 10 IKEE CCc1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 586253329 QNYNAKWEFOSJCF-UHFFFAOYSA-N 432.589 5.814 30 10 IKEE COc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)c(F)c1 698447169 SLAWRQDMMKYLLW-GOSISDBHSA-N 435.293 5.603 30 10 IKEE CCCCCCC[C@@H](C(N)=O)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 698456817 JENSKBBDBKKULE-KRWDZBQOSA-N 427.383 5.405 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1 698823996 DZQMHFZTPIFOTQ-XDHUDOTRSA-N 445.560 5.118 30 10 IKEE COc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)cc1Br 698890531 VAIFAWXWNATWKI-QGZVFWFLSA-N 435.293 5.603 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1 710717814 JCBDKCJZCPUELQ-HOYKHHGWSA-N 429.561 5.276 30 10 IKEE CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC1=CC(=O)C2=C(CCCC2)C1=O 888085821 SAISHJPILDBUDU-SDHOMARFSA-N 442.728 8.791 30 10 IKEE CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C/C(=C/c5cn(C)nc5C)C(=O)[C@]4(C)CC[C@H]32)C1 1614437817 DXRJBJUDWMWZPC-NHJWLDKWSA-N 436.596 5.185 30 10 IKEE N#CCc1nc(-c2ccc(OC(F)(F)F)cc2)ccc1-c1ccc(OC(F)(F)F)cc1 1848361874 OOJVVDBAIFLKKT-UHFFFAOYSA-N 438.327 6.279 30 10 IKEE C=CCN(CC=C)C(=O)Oc1cccc2c(NC(=O)Cc3ccc(Cl)cc3)cccc12 1858948075 DUBWBURMIJIUHG-UHFFFAOYSA-N 434.923 5.847 30 10 IKEE CCCCCCCCCCNC(=O)CNC(=O)c1ccc2nc(Cc3ccccc3)[nH]c2c1 1860962614 CMSRTRCNFFFACB-UHFFFAOYSA-N 448.611 5.140 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccccc2F)cc1C 1862402323 WQBJFBWJACOCOU-OFSQETHSSA-N 437.511 5.300 30 10 IKEE CCN(CC)CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1 1862442689 UGYCVGOBUAWMPM-QFIPXVFZSA-N 440.971 5.040 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc(F)cc2F)cc1 1862478061 YCHOXKGJTYTQAM-ZAOYMGCJSA-N 425.475 5.430 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2cc(Cl)cc(Cl)c2)c1 1862498371 GROPDEMJESRWIE-OAQYLSRUSA-N 446.374 6.235 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc3cc[nH]c3c2)ccc1F 1862504605 YANXHPYDYBNZPM-QFIPXVFZSA-N 446.503 5.455 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccccc1C 1862523133 ACQKALUHXVYUHC-LJQANCHMSA-N 428.326 5.136 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN(CC)CC)[C@H]2c2ccc(C)cc2)cc1 1862532201 FTBIXAMBXSJDJL-VWLOTQADSA-N 448.607 5.258 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(OCCCC)cc1 1862564740 HQMZVYGZCFHYBL-HSZRJFAPSA-N 436.552 5.216 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2ccc(F)cc2F)c1 1862596471 UFLCEIJQOCKBMB-QHCPKHFHSA-N 449.453 5.066 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(Cl)cc1 1862617909 LOYSCGNMXTXFQD-QFIPXVFZSA-N 439.983 6.406 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C2CC2)cc1OC 1862624623 ZKXINAKLVALJRZ-QHCPKHFHSA-N 449.547 5.132 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccccc2F)cc1F 1862639311 VQHIHICELHWXLA-WTGRHJARSA-N 441.474 5.130 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCOC(C)C)cc1 1862648674 IDMHHHAXLPEVFC-DEOSSOPVSA-N 429.516 5.152 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(C(C)C)cc2)=C(O)C(=O)N1[C@H](C)c1ccccc1 1862659624 BIIOOSFOXXWRLH-IBVKSMDESA-N 439.555 6.458 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCc2ccccc2)c1 1862675016 ZSTFXURAHWTPKL-DEOSSOPVSA-N 429.491 5.345 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccc(O)c1 1862722773 YOJHBFBXZKCYOU-MZNJEOGPSA-N 427.500 5.436 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(Cl)cc3Cl)C2=O)cc1 1862900543 SXDWDDMJKMWLFQ-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE Cc1ccccc1N1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(Cl)c(Cl)c2)C1=O 1862911535 SOOCIFMKPPGVBS-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(OCCC)cc2)C(=O)N(CC(C)C)C1=O 1863685644 QKZSYTSELSOVOZ-UHFFFAOYSA-N 442.644 5.942 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCOC(C)C)=C(c2cccs2)C1=O 1863808847 UVHLENCGNKBCHE-UHFFFAOYSA-N 434.646 5.373 30 10 IKEE CCCCCCCCC(=O)Nc1nc(N2C[C@H](C)O[C@@H](C)C2)nn1-c1cccc(Cl)c1 1869945088 BPVWVUGGNGVLDP-ROUUACIJSA-N 448.011 5.223 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)CCc2ccc(CC)cc2)n(-c2cccc(Cl)c2)n1 1870002664 UFHQJZSZPYYUBA-UHFFFAOYSA-N 449.986 5.233 30 10 IKEE CCCCc1ccc(-n2nnc(C#N)c2NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 1870141086 YQVANJHJSVBYBZ-XYOKQWHBSA-N 440.334 5.440 30 10 IKEE CCCCCCCCn1cc(OCC(=O)Nc2ccccc2F)c(=O)cc1CSCC 1870214129 FVHJTYSRDBKJGB-UHFFFAOYSA-N 448.604 5.619 30 10 IKEE CCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CSc1ccc(C)cc1 1870235911 SPPWLYULHPGASS-UHFFFAOYSA-N 429.670 7.234 30 10 IKEE CCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CNc1cc(Cl)ccc1C 1871058403 CSWWLLWNISHGIH-UHFFFAOYSA-N 445.047 7.128 30 10 IKEE COc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCc2ccccc2)C4)cc1 1871344315 CRZPAGXPWJUHLJ-IWIPYMOSSA-N 427.500 5.014 30 10 IKEE COc1ccc([C@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2cccc(Cl)c2)C4=O)cc1 1871354576 UOKVMDDVCUJNFF-XLFQKYORSA-N 447.918 5.878 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(Br)c2)C3=O)cc1C 1871372739 IFLLKFBCLDJTLB-UUYOSTAYSA-N 449.300 5.901 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)o2)C3=O)c1 1871390066 CVXNNOOONKMGPL-MTJSOVHGSA-N 432.428 5.047 30 10 IKEE Cc1c(O[C@H](C)C(=O)Nc2ccccc2Cl)ccc2c1O/C(=C\c1cccs1)C2=O 1871404542 MHVVZCUKKRPINO-FAPYRAKZSA-N 439.920 5.732 30 10 IKEE Cc1c(OCc2cccc3ccccc23)ccc2c1O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 1871433798 HRDILQYVZZWJON-MYYYXRDXSA-N 437.451 6.252 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCc4ccc(C(=O)OC(C)C)o4)cc(C)c3C2=O)cc1 1871439276 QLUTXLCJDHTTJP-FMCGGJTJSA-N 448.471 5.357 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccccc4C(C)C)c3C)C2=O)cc1 1871456012 IGECRFFNMBRPOT-MYYYXRDXSA-N 441.527 6.061 30 10 IKEE C=CCN(CC=C)c1nc(=NCCCCC)nc(Nc2ccc(N3CCC(C)CC3)cc2)[nH]1 1871661407 MKGZSKUHXSSGBG-UHFFFAOYSA-N 449.647 5.054 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1cc(C)ccc1C 1871890693 OKKXHUNGIWQJFP-QHCPKHFHSA-N 442.625 5.294 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1ccc(F)cc1 1872089112 GLRBUKSAGYJOTG-HSZRJFAPSA-N 446.588 5.152 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccccc1C(C)C)[C@H](C)CC)S(=O)(=O)c1ccccc1 1872461422 KUKDGXTWUQRECN-AUSIDOKSSA-N 428.598 5.040 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NS(=O)(=O)c1ccc(Cl)cc1 1872613156 MIWKKANABDFQCR-FQEVSTJZSA-N 431.042 5.044 30 10 IKEE CCc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 1872759889 BVDLXMKCKCDTLP-FQEVSTJZSA-N 435.505 5.316 30 10 IKEE COc1c(Cl)ccc(Cl)c1C(=O)[C@@H](C#N)c1nc(-c2ccc(F)c(F)c2)cs1 1872779868 SZYDMKLNGWFADE-SNVBAGLBSA-N 439.270 5.894 30 10 IKEE N#C[C@@H](C(=O)/C(=C\c1ccccc1)c1ccccc1)c1nc(-c2ccc(F)c(F)c2)cs1 1872780098 ZQHNHUSZVMZCSJ-MSTPFNHUSA-N 442.490 6.505 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)CNC(=O)c2ccccc2)n1 1872785285 JYHFQIPZQNLZQS-HXUWFJFHSA-N 431.561 5.022 30 10 IKEE N#C[C@@H](C(=O)/C=C\c1ccc(Cl)cc1)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872787843 SUJDWMFOPYEKKN-XOYTVWKISA-N 433.747 6.660 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@@H](C#N)C(=O)Cc2ccc(OC(C)C)cc2)n1 1872788822 RDRXTPQTOMOYHJ-IBGZPJMESA-N 440.952 5.678 30 10 IKEE CCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C/c1cnc2ccccc2n1 1873501568 CRDQXCRBUUHUQQ-JVWAILMASA-N 444.608 5.646 30 10 IKEE C=CCn1c(C(=O)Nc2ccc3n[nH]cc3c2)cc2c(N(CCCC)CCCC)ncnc21 1873662313 LMZKADJSAUAFMT-UHFFFAOYSA-N 445.571 5.153 30 10 IKEE CCCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1/N=C/c1cccs1 1874193784 HYVOYQWNDWINEC-OEAKJJBVSA-N 449.045 6.006 30 10 IKEE CCOc1ccc(OCc2nnc(SCc3ccccc3C)n2/N=C/c2ccc[nH]2)cc1 1874235121 RXPPLNKZALHOEN-CVKSISIWSA-N 447.564 5.067 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccc(C(C)C)cc1 1874265251 OQWPWWILWFGOTB-DHRITJCHSA-N 441.000 6.184 30 10 IKEE Cc1ccsc1/C=N/n1c(CCCOc2ccccc2)nnc1SCc1ccccc1 1874316636 DGEMYSRFNBURHH-KOEQRZSOSA-N 448.617 5.834 30 10 IKEE C=CCSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1c(Cl)cccc1Cl 1874331564 SMGZJELFUFWDDK-AFUMVMLFSA-N 445.419 6.147 30 10 IKEE C=CCSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1ccccc1OC(C)C 1874331616 VUMKNYZEUQQGPT-YZSQISJMSA-N 434.609 5.628 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccccc1O 1874360949 GNEWIWYPDLTTBL-JVWAILMASA-N 446.551 5.391 30 10 IKEE Fc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2/N=C/c2ccccn2)cc1 1874381617 BQLJSISWJWQBGC-VULFUBBASA-N 437.931 5.231 30 10 IKEE COc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2[C@@H](C)c2ccccc2)cc1 1874395961 ZPHFYXVZISCZBR-RUTRRBQKSA-N 442.588 5.656 30 10 IKEE CCc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2[C@H](C)c2ccccc2)cc1 1874400573 UCQQFTULIKYFLX-VOHAGXJVSA-N 440.616 6.209 30 10 IKEE CCCSc1nnc(CCc2ccccc2)n1/N=C/c1ccc(OCC)c(OCC)c1 1874404789 PQXXQZRRZFVXLP-XIEYBQDHSA-N 438.597 5.245 30 10 IKEE Fc1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2c(F)cccc2Cl)cc1 1874420778 DJSCLMPSRFIGTF-BHGWPJFGSA-N 446.935 6.113 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2-c2ccccc2)cc1 1874426955 JRSNVNBXAPKSBD-JVWAILMASA-N 430.552 6.382 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccccc2)c1 1874426995 LOFCAEZJCQIZHV-BUVRLJJBSA-N 445.504 5.036 30 10 IKEE COC(=O)c1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2-c2ccccc2)cc1 1874427168 UFXLMMOGFHPHOK-CVKSISIWSA-N 446.507 5.045 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2)cc1 1874428068 QBIYJEKDWQWPGA-NLRVBDNBSA-N 428.561 5.908 30 10 IKEE CN(C)c1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccc(F)cc2)cc1 1874437217 PRTBAZGJFSHOCK-MFKUBSTISA-N 425.577 5.246 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccccc1O 1874440012 FJAJJXAIYSQPPD-WGOQTCKBSA-N 430.577 5.900 30 10 IKEE Fc1ccccc1CSc1nnc(C2CCCC2)n1/N=C/c1c(F)cccc1Cl 1874455761 JWOIATZFARULEU-BRJLIKDPSA-N 432.927 6.042 30 10 IKEE Fc1cccc(Cl)c1/C=N/n1c(SCCc2ccccc2)nnc1C1CCCC1 1874455910 PWILLFQGESIQIG-MFKUBSTISA-N 428.964 5.945 30 10 IKEE Oc1cccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CCC2)c1 1874497332 FNWXWDVCWHQORN-FOKLQQMPSA-N 433.364 5.733 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CCC2)c(O)c1 1874497445 KHLOTTVUEILHGG-AUEPDCJTSA-N 449.363 5.438 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(O)c(OC)c1 1874508409 BQMLOZBNMBVVCZ-MFKUBSTISA-N 432.549 5.273 30 10 IKEE CCOc1ccc(/C=N/n2c(CC)nnc2SCc2c(Cl)cccc2Cl)cc1 1874525700 BHQPVZBAOSTZMD-FSJBWODESA-N 435.380 5.721 30 10 IKEE COc1cccc(CCc2nnc(S)n2/N=C/c2cccc(Oc3ccccc3)c2)c1 1874564196 SZHRKAFQRYJOIW-KOEQRZSOSA-N 430.533 5.035 30 10 IKEE Sc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccc(Cl)cc1Cl 1874569704 DMQRJGXOLXRCDJ-SSDVNMTOSA-N 441.771 5.421 30 10 IKEE COc1cc(Br)cc(/C=C/C(=O)c2cccc(Br)c2)c1OC 1874575996 RQPPVZNUCNMJJY-VOTSOKGWSA-N 426.104 5.125 30 10 IKEE O=C(/C=C/c1c(OCCc2ccccc2)ccc2ccccc12)c1ccc(Cl)c(Cl)c1 1874579040 TYKWDSSNPKREBX-WYMLVPIESA-N 447.361 7.664 30 10 IKEE COc1cccc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)c1OCc1cccc(C)c1 1874588853 ILEXSFWWUWAJCF-VAWYXSNFSA-N 436.935 6.449 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(CC)cc3)cc2OC)o1 1874604934 LXLQBOBLVWISNT-MDWZMJQESA-N 434.488 5.502 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)cc1 1874606378 KOZQVBNCTUBDSD-XMHGGMMESA-N 441.571 6.560 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Br)c(OC)c(Br)c2)cc1 1874609426 QLUJSYHXUNGMNV-FPYGCLRLSA-N 426.104 5.125 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1OCc1ccccc1C 1874628982 GWTSIWVPXAZEBM-VAWYXSNFSA-N 448.990 7.366 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)C34CC5CC(CC(C5)C3)C4)c2)cc1C 1874696323 SEKLGJIDKXHOMF-SOFGYWHQSA-N 430.544 6.022 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OC(=O)c1cccc2ccccc12 1874696888 HFZMCQLMJLWMGE-FYWRMAATSA-N 442.898 6.617 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OC(=O)COCc1ccccc1 1874703613 YAGXWFIADPTYGD-ACCUITESSA-N 430.500 5.330 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OC(=O)c1ccc(F)cc1F 1874708135 OBKIITFYPYZXAK-UUILKARUSA-N 436.454 6.212 30 10 IKEE CCCCCCCCC(=O)N1[C@H](C)CSc2nnc(COc3ccc(Cl)cc3)n21 1875060618 BJSJKUDSZMSYKI-MRXNPFEDSA-N 437.009 5.220 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1OC 1875094956 RHBQDAMBCDJUFZ-FYWRMAATSA-N 439.508 6.156 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc([N+](=O)[O-])c1OC(=O)C(C)(C)C 1875095433 PCEWGUYNBBWYOR-JLHYYAGUSA-N 447.487 5.994 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3)c(Cl)c2)cc1OC 1875098303 CHBRUJZSLXYCCT-DHZHZOJOSA-N 436.891 5.401 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1 1875105625 DVAJPEJZHSUEPE-LTGZKZEYSA-N 434.535 7.298 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)CC(C)C)c(OCC)c2)cc1 1875106423 SBFUMWPTSPXNLS-SDNWHVSQSA-N 442.983 6.929 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3C)cc2)cc1 1875106880 PGGHGJFWCLGJBG-XSFVSMFZSA-N 426.556 6.772 30 10 IKEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2Cl)cc1C 1875116434 AZRHZLTUJUHTQU-NYYWCZLTSA-N 435.863 5.980 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1Cl 1875126135 RELSYUAXJQRTHB-QDEBKDIKSA-N 429.274 6.177 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)c1cccc(C)c1 1875134724 HQRGAZZDSDJCHM-ZRDIBKRKSA-N 448.946 6.779 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)C(C)(C)C)c(OCC)c2)cc1 1875137945 CAIDLNIZWLZVGI-MDWZMJQESA-N 444.955 6.375 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)cc3)c([N+](=O)[O-])c2)c1 1875139756 YOYJVQFOLYYRDD-VZUCSPMQSA-N 435.863 5.980 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)c(F)c3)c(Cl)c2)c1 1875139782 ZPBLCIVDCCDJLM-WEVVVXLNSA-N 426.846 6.350 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3OC)cc2OC)c1 1875144681 ZFOXPWSOXGZXEF-PKNBQFBNSA-N 432.472 5.136 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1 1875148494 FSUMNUFWUXUVOX-AWNIVKPZSA-N 442.599 7.002 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1C 1875148929 PPJRMOZRGWYFJS-LICLKQGHSA-N 426.556 6.645 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2cccs2)cc1 1875167791 JYPUQGLINQPSQR-RMKNXTFCSA-N 433.312 6.179 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3F)c(Cl)c2)c1C 1875168566 JWBZMHHMLREHHE-PKNBQFBNSA-N 436.910 6.828 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)C3CCCC3)c(OC)c2)c1 1875173014 SDZMUDZVXZWPBK-JLHYYAGUSA-N 438.520 5.484 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1OCC 1875185323 RLWSWFFGNDITFU-ACCUITESSA-N 442.983 6.946 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)c1ccc(F)cc1 1875191224 XGZJOYCSHJXWNY-WTDSWWLTSA-N 445.273 6.256 30 10 IKEE C=CC[C@H](C)[C@@H](NCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875650985 OOORZVGASTVTLA-UNUDWIFVSA-N 445.603 6.068 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(C(=O)OC(C)(C)C)[C@H]3CCC[C@@H]32)c1 1926541881 LKLRZMZQVPGMNZ-ZYLNGJIFSA-N 441.572 5.418 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)CC12CC2 1934117263 OUSZKFGSDISMKW-RUZDIDTESA-N 441.572 5.250 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c1 1949118835 RQFXOYNRSKFVQO-JXQFQVJHSA-N 427.545 5.028 30 10 IKEE N#Cc1csc([C@H](CCNC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)O)c1 1952157025 GEOIUWBKNGGSRD-QGZVFWFLSA-N 446.528 5.107 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C1 2005381814 FKKPJLZIAUXCFC-HSZRJFAPSA-N 449.979 5.765 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C1 2005383431 WBTKTSMYSRVRIX-QHCPKHFHSA-N 433.524 5.251 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1ccc(N(CC)C(=O)OC(C)(C)C)nc1 2014234034 BFDOSKKIWCEGJC-HSZRJFAPSA-N 425.573 5.267 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C1(NC(=O)OC(C)(C)C)CCC(C)CC1 2018514996 KSYORRLTKAYEPK-BAOIDCNMSA-N 430.633 5.601 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(Cc2ccccc2)C[C@@H]1C 2037425364 DHNPTMHPUROTFN-RXFWQSSRSA-N 435.568 5.241 30 10 IKEE C=CCn1c2ccccc2n2nc(C)c(C(=O)C=Cc3cc(Cl)c(OC)c(OCC)c3)c12 2040488290 NTSBTSRKQZNXBO-UHFFFAOYSA-N 449.938 5.740 30 10 IKEE Fc1cccc(C(F)(F)F)c1Cn1nc(C2CCC2)c(Br)c1C(F)(F)F 2078992265 MBBZHZRWSIWROW-UHFFFAOYSA-N 445.176 6.138 30 10 IKEE Cc1ccc([C@H](n2nc(C(F)F)c(C#N)c2I)C(C)(C)C)cc1C 2079017079 XHIKMWNNXDMYOR-HNNXBMFYSA-N 443.279 5.549 30 10 IKEE COC(=O)c1c(C(F)(F)F)nn([C@@H](c2ccc(C(F)(F)F)cc2F)C2CC2)c1Cl 2079955707 FFLDTQRGPLUJMX-GFCCVEGCSA-N 444.734 5.499 30 10 IKEE N#Cc1c(C(F)(F)F)nn([C@@H](c2ccc(C3CCC3)cc2)C2CCC2)c1Br 2079986395 SPELEOLNTMBIRB-QGZVFWFLSA-N 438.291 6.193 30 10 IKEE COc1ccc([C@H](C2CCC2)n2nc(C(F)(F)F)c(C#N)c2Br)cc1C 2080008389 SJLSTQYCAQYCPJ-HNNXBMFYSA-N 428.252 5.243 30 10 IKEE C=CCN(CC[C@H](NCC)c1c(F)cc(C)cc1Br)C(=O)OC(C)(C)C 2116831029 SFOKZOSJQYPULF-KRWDZBQOSA-N 429.374 5.360 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NC)c2c(C)ccc(Br)c2F)C1 2126684075 FHRRKOFESOBNRI-QGZVFWFLSA-N 427.358 5.018 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)c(C)c(Br)c1)NCCC 2126713173 XDNQRVWBICWAMG-QZTJIDSGSA-N 445.829 5.401 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@@H](Nc3ccc(Br)cc3C#N)C[C@H]21 2166983215 OFDBVVPXJQUDNA-LSBZLQRGSA-N 434.378 5.301 30 10 IKEE CC1(C)OB(c2cnc(Oc3ccc4sccc4c3)c(Br)c2)OC1(C)C 2172630862 UPAAPAVORFHOSP-UHFFFAOYSA-N 432.148 5.150 30 10 IKEE CCCN[C@H](C#Cc1ccc(C)cc1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2223318428 FHFBYJPPFVARMX-SANMLTNESA-N 434.624 5.932 30 10 IKEE CCC[C@]1([C@@H](O)C#Cc2ccccc2Br)CCCCN1C(=O)OC(C)(C)C 2235736222 WYRUNRYNSIFXJD-SIKLNZKXSA-N 436.390 5.121 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)C(CC)(CC)NC(=O)OC(C)(C)C 2235746481 JPRHQKOIWKMLIF-IBGZPJMESA-N 437.422 5.252 30 10 IKEE C=CCC[C@H](C)[C@H](NCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237400225 NIRZCQBEHCPKPG-DBVUQKKJSA-N 439.438 5.465 30 10 IKEE CCN[C@H](C#CC1CCCCC1)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2251406977 KCXKJVLEHFKZJQ-TUACAJSNSA-N 428.617 5.047 30 10 IKEE C=CCCC1(C(=O)Nc2ccc(Br)cc2Cl)CN(C(=O)OC(C)(C)C)C1 2278037365 ABSYYGSBVIQSLG-UHFFFAOYSA-N 443.769 5.244 30 10 IKEE C=CCCC1([C@H](NCCC)c2ccc(Br)cc2)CN(C(=O)OC(C)(C)C)C1 2281049231 YGNZTZLBZQLTLI-LJQANCHMSA-N 437.422 5.693 30 10 IKEE CC(C)(C)OC(=O)N1CCc2ccc(Nc3c(Br)cccc3C#N)cc2C1 2285180874 MOVMJQMVNIEFPZ-UHFFFAOYSA-N 428.330 5.358 30 10 IKEE CC(C)(C)c1ccc(-c2nc3cc(N=CC=Cc4ccc([N+](=O)[O-])cc4)ccc3o2)cc1 2293202052 XOMLDDQMPKXUBC-UHFFFAOYSA-N 425.488 7.116 30 10 IKEE CCCCCCCCOc1ccc(C=C2SC(=S)N(c3ccc(O)cc3)C2=O)cc1 2296012205 DUDANSXBYVGRLT-UHFFFAOYSA-N 441.618 6.537 30 10 IKEE CC(C)(C)OC(=O)N[C@](C)(C(=O)C#Cc1cccc(Br)c1)C1CCCCC1 2296224476 KRJUCGJOLLAMKG-QFIPXVFZSA-N 434.374 5.233 30 10 IKEE CN[C@H](C#Cc1ccc(Br)cc1)c1cc(F)cc(NC(=O)OC(C)(C)C)c1 2296297614 ARXWIECUSDZOTI-LJQANCHMSA-N 433.321 5.247 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H](CC(C)(C)C)NC(=O)OC(C)(C)C 2296310028 DKOCTIUACLFTHI-RTBURBONSA-N 437.422 5.108 30 10 IKEE O=C1C(=O)N(Cc2cccnc2)[C@@H](c2cccc(Cl)c2)C1=C(O)c1cc2ccccc2o1 2296626434 OQOWORRFRKYSAD-QFIPXVFZSA-N 444.874 5.103 30 10 IKEE COc1ccc(C=C2C[C@@H]3[C@@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@@]3(C)C2=O)cc1 2297404288 RZZSYQOCHYTRMK-ATJSRDRVSA-N 448.603 6.152 30 10 IKEE CC(C)c1ccc(C=CC(=O)c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 2314429341 FAIZMZIJZZOFNF-UHFFFAOYSA-N 426.556 7.223 30 10 IKEE Sc1nnc(C2CCCC2)n1N=Cc1c(OCc2ccccc2)ccc2ccccc12 2321927975 BLERCQABRQTMFU-UHFFFAOYSA-N 428.561 5.839 30 10 IKEE C[C@H]1CCCC[C@H]1N1COc2ccc3c(c2C1)OC(=Cc1c(Cl)cccc1Cl)C3=O 2322145984 INXISPLBRNCVQG-VBKZILBWSA-N 444.358 6.340 30 10 IKEE CCN(CC)CCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(C(C)C)cc1)C3=O 2322170752 KYUKEKZSPFFOKG-UHFFFAOYSA-N 434.580 5.228 30 10 IKEE Cc1ccc(CCN2COc3c(cc4c(c3C)OC(=Cc3ccccc3Cl)C4=O)C2)cc1 2322436569 SQZKDBZATCFOGI-UHFFFAOYSA-N 445.946 5.968 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccc(C)cc1 2322586322 DJFAQQPIGHZBTA-UHFFFAOYSA-N 429.560 6.072 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2c(OCc3c(F)cccc3Cl)ccc3ccccc23)c1 2322615745 TVDHWUWVRSXVMN-UHFFFAOYSA-N 444.933 7.724 30 10 IKEE Cc1cc(C(=O)C=Cc2c(OCc3c(F)cccc3Cl)ccc3ccccc23)ccc1F 2322627648 WYQCFJHBKQCCCR-UHFFFAOYSA-N 448.896 7.555 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C)c(C)c2)c1OCc1nc(O)c2ccccc2n1 2322901035 KLBBEYQUDDONCI-UHFFFAOYSA-N 440.499 5.436 30 10 IKEE Cc1c(OC(=O)c2cccc(Br)c2)ccc2c1OC(=Cc1ccccc1)C2=O 2322931721 GVUFRYHKOAMENS-UHFFFAOYSA-N 435.273 5.593 30 10 IKEE Cc1c(OC(=O)c2ccc(Cl)c(Cl)c2)ccc2c1OC(=Cc1ccccc1F)C2=O 2323259546 UIDTWCVPEDWOGB-UHFFFAOYSA-N 443.257 6.276 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OCC(=O)NC2CCCCC2)c1 2323303268 CQWMWKPUHHKPON-UHFFFAOYSA-N 433.592 6.016 30 10 IKEE COc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)ccc1OCc1cccc(F)c1 2323358579 UCETYLWSJBNOFK-UHFFFAOYSA-N 438.498 6.976 30 10 IKEE Cc1c(OC(=O)Cc2ccc(Cl)c(Cl)c2)ccc2c1OC(=Cc1ccco1)C2=O 2323419493 MTTWIJAAZXUUHZ-UHFFFAOYSA-N 429.255 5.659 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(Cl)c1OCc1ccc(C)cc1 2323419532 QYYSDIBZTLUIOZ-UHFFFAOYSA-N 446.974 7.011 30 10 IKEE CCOc1cc(C=Nn2c(S)nnc2Cc2ccccc2)ccc1OCc1ccccc1 2323511295 KNLHYTCDUMPTFU-UHFFFAOYSA-N 444.560 5.018 30 10 IKEE CCOc1ccccc1-c1nnc(S)n1N=Cc1cc(Cl)c(OCC)c(Cl)c1 2323524667 ULIJGFMYSOXJGU-UHFFFAOYSA-N 437.352 5.220 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 2323914765 QGUUVUBZJVJREL-UHFFFAOYSA-N 431.488 6.085 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1 2323914794 YKQTYPLBHHRSRH-UHFFFAOYSA-N 437.333 6.241 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)c4ccc(OC(=O)C(C)C)cc4)ccc3C2=O)c1 2323933578 MPDATUXVWQOSEG-UHFFFAOYSA-N 442.467 5.392 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OCC(=O)Nc3c(C)cccc3C)c(Cl)c2)c1 2323943767 FHRWBMOBQFRLAK-UHFFFAOYSA-N 447.962 6.487 30 10 IKEE Cc1cc(O)c(CN2CCCCCC2)c2c1C(=O)C(=Cc1cccc(Br)c1)O2 2324069939 WEZAGTYETQQZLW-UHFFFAOYSA-N 442.353 5.455 30 10 IKEE N#C[C@@H](C(=O)C=Cc1cccc(Cl)c1)c1nc(-c2ccc(Br)cc2)cs1 2324416682 UMTAFZZKZKEERE-KRWDZBQOSA-N 443.753 6.116 30 10 IKEE N#C[C@@H](C(=O)C=Cc1ccc(Cl)cc1Cl)c1nc(-c2ccc(F)cc2F)cs1 2324465064 UXDMJYMYXZBCAY-HNNXBMFYSA-N 435.282 6.285 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(OCC)c(OC)c3)n2)cc1 2324504997 PWWURVHNTBEIPY-HXUWFJFHSA-N 448.544 5.506 30 10 IKEE Cc1cc(OC(c2ccccc2)c2ccccc2)cc2c1C(=O)C(=Cc1ccc(F)cc1)O2 2325216150 KIXUFRAKYHZRJG-UHFFFAOYSA-N 436.482 6.919 30 10 IKEE COc1ccccc1C=C1Oc2cc(OCC(=O)Nc3c(C)cccc3C)cc(C)c2C1=O 2325494346 LMJOBWOIHQSTBW-UHFFFAOYSA-N 443.499 5.254 30 10 IKEE CCCOc1cccc(C=Nn2c(CCC)nnc2SCc2ccc(Cl)cc2)c1 2325565161 DEGGXRFPJGGBGM-UHFFFAOYSA-N 428.989 5.847 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(OC)c(OC)c1 2325603823 RPCMYSKIRTUPDG-UHFFFAOYSA-N 432.549 5.185 30 10 IKEE CCN(Cc1ccccc1)c1ccc(C=Nn2c(C)nnc2SCc2ccccc2)cc1 2325630854 VBENPOPBLXOGDN-UHFFFAOYSA-N 441.604 5.788 30 10 IKEE Cc1cc(Cl)ccc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1cccs1)C2=O 2325716439 YGYRYSAAPXMHEP-UHFFFAOYSA-N 439.920 5.652 30 10 IKEE Cc1ccccc1CCC(=O)Oc1cccc(C=CC(=O)c2ccc(Br)cc2)c1 2325716660 ZIKHMLATDMSOCK-UHFFFAOYSA-N 449.344 6.192 30 10 IKEE O=C(C=Cc1cccc(OC(=O)C2(c3ccc4c(c3)OCO4)CC2)c1)c1ccccc1Cl 2325717970 BIDBEXQEFOLBCH-UHFFFAOYSA-N 446.886 5.602 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1OC(=O)c1cccc([N+](=O)[O-])c1 2325729521 CINFKWGYMZXNPO-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE COc1ccc(C(=O)Oc2cc(C=CC(=O)c3ccc(C(C)(C)C)cc3)ccc2OC)cc1 2325745856 QUFSWQQNLYCSRM-UHFFFAOYSA-N 444.527 6.117 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)C3CCCC3)c2)c(OCC)c1 2325762521 DBRVWHZPMJPASY-UHFFFAOYSA-N 438.520 5.484 30 10 IKEE C=CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccc(F)cc1 2326136948 NNFCVINOELWCLN-UHFFFAOYSA-N 430.936 5.427 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1ccccc1OC 2327185998 CJOORIAONYGRFM-UHFFFAOYSA-N 436.581 5.157 30 10 IKEE CCCSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1ccc(Cl)cc1Cl 2328799248 SMNVHCOXJUDXAC-UHFFFAOYSA-N 449.407 6.165 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)cc2C)n1N=Cc1ccccc1Cl 2328895869 CSSAXTULLLFOSJ-UHFFFAOYSA-N 426.973 5.678 30 10 IKEE C=CCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccccc1OC(C)C 2329114562 JHUUQUMYXYOXFJ-UHFFFAOYSA-N 426.973 5.470 30 10 IKEE C=CCSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(OCC)c(OC)c1 2329591388 PNEDIZUUOJUGON-UHFFFAOYSA-N 428.945 5.166 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)COc3c(C)cccc3C)c(OC)c2)c1 2330800326 WJHQEYDCVREZAP-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(C)c3)c([N+](=O)[O-])c2)cc1 2330833756 VSZPITWMKWPPHK-UHFFFAOYSA-N 443.499 6.361 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)Cc1ccccc1 2331081572 CMMRFYXEHFSQAP-UHFFFAOYSA-N 442.845 5.671 30 10 IKEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cccc(Cl)c3)cc2[N+](=O)[O-])cc1 2331124015 BWBRKPBFHLWCJO-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE O=C(Cc1cccs1)Oc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] 2331124016 CACNSWJDWSQZJX-UHFFFAOYSA-N 427.865 5.354 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cccc4ccccc34)cc2)cc1F 2331450852 JKNWRDISDKCSOG-UHFFFAOYSA-N 440.470 6.032 30 10 IKEE O=C(Cc1ccccc1Cl)Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1 2331468699 PFLZCKXBLQPCBH-UHFFFAOYSA-N 426.899 6.537 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2)cc1C 2331489859 HXWUCBXKFDXSRV-UHFFFAOYSA-N 428.528 6.307 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)C(C)(C)C)c(Cl)c2)cc1C(C)C 2331575147 LXSMTKRHPLDTDK-UHFFFAOYSA-N 428.956 6.628 30 10 IKEE C=CCc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OC(=O)CC(C)C 2331653945 NDNYZGZJJMKESU-UHFFFAOYSA-N 434.576 6.505 30 10 IKEE CC(C)c1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(Br)cc1 2331675077 TZKQPRYDIMENMU-UHFFFAOYSA-N 433.350 5.478 30 10 IKEE CC(C)c1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(C(=O)O)cc1 2331716239 DGIONECLBLVULN-UHFFFAOYSA-N 432.908 5.067 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OC(=O)C2CCCC2)c([N+](=O)[O-])c1 2331747845 GXFVFJOMQXYUMV-UHFFFAOYSA-N 443.883 5.557 30 10 IKEE CC(C)c1ccc(-n2nnc(C#N)c2NC(=O)C(=Cc2ccccc2)c2ccccc2)cc1 2332188813 YFFYACIQSSYWMM-UHFFFAOYSA-N 433.515 5.442 30 10 IKEE Cc1cccc2c1N(c1ccc(C#N)c(Br)c1)CCN2C(=O)OC(C)(C)C 2381007342 GJANBJPXWUPIJG-UHFFFAOYSA-N 428.330 5.522 30 10 IKEE CCCCCCC#Cc1cncc(-c2nnc(SCc3ccc(Cl)cc3)n2C)c1 3138222 KJNATPOIWHTTGC-UHFFFAOYSA-N 425.001 6.145 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)S/C1=N\c1ccc(C(=O)O)cc1 16929181 LNCHSBFATSQWQB-PLISCHTNSA-N 433.316 5.482 30 10 IKEE O=C1O[C@@H]2CCCC[C@H]2C(Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)=C1[N+](=O)[O-] 20530239 WMSMOSSVCBARER-QZTJIDSGSA-N 447.516 5.493 30 10 IKEE CCc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(O)c(OC)c2)cc1 21220764 FGARUZBWIJEVFU-PIIWDFAUSA-N 440.543 5.943 30 10 IKEE O=C1/C(=C/C=C/c2ccccc2)Oc2cc(OCc3c(F)c(F)c(F)c(F)c3F)ccc21 33368892 XHEBTDIKJNMGDA-GUSDSWBTSA-N 444.355 6.134 30 10 IKEE CSc1ccc(/C=C/C(=O)c2ccc(C(=O)/C=C/c3ccc(SC)cc3)cc2)cc1 33848730 JKKRFIORCCRLMO-ZEELXFFVSA-N 430.594 6.923 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)N(c3ccccc3)c3ccccc3)c2)cc1 34954561 SDBQLCYWBSDTSF-LVZFUZTISA-N 433.507 7.228 30 10 IKEE CCCCOc1ccc(/C=C2\S/C(=N/c3cccnc3Cl)N(C)C2=O)cc1OC 39863716 JZIYSGPQNKGMGL-QACXOHACSA-N 431.945 5.156 30 10 IKEE C=CCOc1ccc(C(=O)NCc2ccc(OCCCC)c(OC)c2)cc1Br 44822368 YDYCTINOSSNYRT-UHFFFAOYSA-N 448.357 5.131 30 10 IKEE C/C(=N/Nc1nc(SCc2ccc(Cl)cc2)n[nH]1)c1ccc(Br)cc1 59020720 SNIHATGJICXQPV-NHDPSOOVSA-N 436.766 5.349 30 10 IKEE C=CC[C@H](Sc1nc(-c2ccc(Br)cc2)n(CC=C)n1)c1ccccc1 72264410 QEMMIEQIZLCUEY-IBGZPJMESA-N 426.383 6.303 30 10 IKEE CCCCCCCOc1ccc(NC(=O)c2ccc(OC(C)C)c(Br)c2)cc1 100197984 UUAOXHDBULWSFD-UHFFFAOYSA-N 448.401 6.838 30 10 IKEE Cc1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC(=O)N2C)cc1C 100262478 LDBJXKVVLUWFMK-DJUDNFEDSA-N 436.364 5.200 30 10 IKEE CCOc1ccc(/C=C2\S/C(=N/c3nc(-c4ccccc4)cs3)N(CC)C2=O)cc1 101130390 WQEOIIPCQYXUJY-QJYUKRAPSA-N 435.574 5.833 30 10 IKEE CCCCCCCCn1c([C@@H](C)NC(=O)Cc2ccc(Cl)cc2)nc2ccccc21 102132416 DLMZHSOTQXQAKP-LJQANCHMSA-N 426.004 6.470 30 10 IKEE CCCCCCCCCCn1c([C@H]2CC(=O)N(c3ccc(C)cc3C)C2)nc2ccccc21 102200470 LIDAVXTVDCNCON-DEOSSOPVSA-N 445.651 7.314 30 10 IKEE Cc1cc(N2C(=O)C(=O)/C(=C(\O)c3ccc(F)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)no1 102715227 FFAXGXFFLXBTER-SADKCHQCSA-N 434.467 5.046 30 10 IKEE Cc1ccc(C)c(COc2ccc3c(c2)O/C(=C/c2cc(Cl)cc4c2OCOC4)C3=O)c1 103024084 CJICIXXDVDZADR-YSURURNPSA-N 448.902 6.019 30 10 IKEE O=C(/C=C\c1ccccc1)c1ccc(-n2cc(-c3ccccc3)cc2-c2ccccc2)cc1 103044304 GOYDATJWHOBNAF-PGMHBOJBSA-N 425.531 7.707 30 10 IKEE CCOC1=CC(Br)=C/C(=C\Nc2ccc3oc(-c4ccccc4)nc3c2)C1=O 136549455 PLVWVLPTOTYXEM-FYWRMAATSA-N 437.293 5.573 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2cc(C)ccc2C)cc1 169924602 XJSFRGUNJYNLHO-RUZDIDTESA-N 441.527 5.712 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@@H]1c1ccncc1)c1cc2ccccc2o1 170018264 BZTYQTMSLZAMCS-OAQYLSRUSA-N 448.837 5.403 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccccc2F)cc1 170071359 KYYOYUPLWZEJJD-HSZRJFAPSA-N 438.414 5.226 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(O)cc2)c1 170130197 MXJWMKNKMQZGQD-JOCHJYFZSA-N 449.528 5.019 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccc(O)cc2)c1 170131929 QIBAWIICWHSFEA-DEOSSOPVSA-N 443.499 5.271 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccc(C)c2)c1 170140480 VDUGXCJOSWKFGL-QHCPKHFHSA-N 431.463 5.316 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1cccc(C)c1 170142177 ASLWDOGLJYJJCH-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccs2)cc1 170157675 UXRRNRTYEGNYHZ-NRFANRHFSA-N 431.469 5.286 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccnc2)cc1C(C)C 170184847 AMBSNXGJTGCTQC-QHCPKHFHSA-N 446.478 5.136 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccncc1)c1ccc2c(c1)CCCC2 170203691 SHHWWWFYOPUDLC-HSZRJFAPSA-N 444.918 5.397 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccc2)ccc1Cl 170223986 LHHCOYHGZXFQAH-QHCPKHFHSA-N 447.918 5.830 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)c(Cl)c2)[C@@H]1c1ccc(F)cc1 170243458 AJZWIVCKKWNCDP-KRWDZBQOSA-N 438.282 5.129 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccc(C(C)C)cc1 170245734 HZCWWXQEAQRZDB-DEOSSOPVSA-N 430.548 6.060 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2c[nH]c3ccccc23)cc1 170255729 XKZRZDIHTGZOAY-XMMPIXPASA-N 446.547 5.725 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(Cl)c3)[C@H]2c2ccco2)c1 170283014 VRUDSAHIQJCWCW-LJQANCHMSA-N 428.271 5.678 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccco2)cc1C 170284938 MVTUTYHKWZFCSX-XMMPIXPASA-N 427.500 5.558 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(C)o2)cc1C 170303927 RDQCFEDBFDDAPD-XMMPIXPASA-N 445.515 5.777 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2ccc(C)o2)cc1C 170304655 TWKRJAWYIHQRSF-HSZRJFAPSA-N 447.487 5.010 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2sccc2C)c1 170313831 USXWIGAVUIDNBZ-FQEVSTJZSA-N 437.492 5.377 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(OCC(C)C)cc2)c1 170349799 OKOJFUZCGPSZIE-HSZRJFAPSA-N 447.556 5.874 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2cccc(C(F)(F)F)c2)o1 170424671 XUDPHKNNQLRYKW-SFHVURJKSA-N 447.434 5.447 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2cccc(OC)c2)cc1 170451936 LEQWCPDFCWFTOT-XMMPIXPASA-N 436.552 5.057 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2cccc(OC(C)C)c2)c1 170474754 DOQNGOLBYICYQP-QHCPKHFHSA-N 447.487 5.248 30 10 IKEE N#Cc1ccc(Nc2ccc(I)cc2Cl)c(Br)c1 232150883 SCLOSIPYIUHIKS-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE Oc1ccc(Cl)cc1C=Nc1cc(C(F)(F)F)ccc1Oc1ccc(Cl)cc1 252631368 VKCSIAQWASAEHJ-UHFFFAOYSA-N 426.221 7.261 30 10 IKEE CC(C)(C)C(=O)OCCCCSc1nnc(N/N=C/c2cccc(Cl)c2Cl)[nH]1 253560547 AYBYJERUQLKXAA-SRZZPIQSSA-N 444.388 5.019 30 10 IKEE Cc1ccc(-c2csc(=Nc3ccc(C)c(C)c3)n2N=Cc2ccc(O)cc2O)cc1 254506295 UEXRPSUYAKXOPF-UHFFFAOYSA-N 429.545 5.668 30 10 IKEE CCOCCN1C(=O)/C(=C\c2ccc(OC)c3ccccc23)SC1=Nc1ccccc1 254622558 AIQYXDWFYMPQRS-SUOSWRNOSA-N 432.545 5.489 30 10 IKEE CCOC(=O)CSC(=Nc1ccccc1)c1c(-c2c(Cl)cccc2Cl)noc1C 263632179 MIAIIPZMKWBJPF-UHFFFAOYSA-N 449.359 6.331 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(/C=C\C(=O)Cc2cc(Br)ccc2F)cc1 405929990 LRQWXKZDAXZHCA-POHAHGRESA-N 434.305 5.760 30 10 IKEE C=C(COCCC)[C@H](NCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 407158335 XVOPGNDTWGFLKN-SFHVURJKSA-N 427.383 5.430 30 10 IKEE C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC/C2=N/N=C/c1ccc([N+](=O)[O-])s1 504156846 BKFIBDWKIPCPQA-JTSKXGNASA-N 441.597 5.755 30 10 IKEE CC(C)Oc1ccc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526489619 WXIVTHYZLNSELK-DEOSSOPVSA-N 444.918 6.056 30 10 IKEE CCCOc1cccc([C@@H]2C(c3cccc(OC)c3)=C(O)C(=O)N2c2cccc(C#N)c2)c1 526515168 IAGHKRGVYXVTTI-RUZDIDTESA-N 440.499 5.413 30 10 IKEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(Cl)cc2)cc1 526604228 LJCPHMRMPZDXNI-XMMPIXPASA-N 444.918 6.058 30 10 IKEE Cc1ccc(CSc2nncn2/N=C\c2ccc(OC(=O)c3ccc(F)cc3)cc2)cc1 526803814 OUGHWZZCKMLAGN-VYYCAZPPSA-N 446.507 5.119 30 10 IKEE CCN(CC)c1ccc(/C=N\n2c(C)nnc2SCc2ccc(C(C)(C)C)cc2)cc1 526805403 JSEGYRBYKBBHDT-ONUIUJJFSA-N 435.641 5.905 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1ccc(OC)c(OCC)c1 526811374 IXZWTOQCAQDLEB-MYYYXRDXSA-N 438.597 5.429 30 10 IKEE CCOc1c(Cl)cc(/C=N\n2c(C)nnc2SCc2ccc(C#N)cc2)cc1Cl 526822997 QDPGGYSRIIASLB-MYKKPKGFSA-N 446.363 5.338 30 10 IKEE C=C1CC[C@H](O)C/C1=C\C=C1/CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@@H](C)/C=C/[C@](C)(O)C(C)(C)O 605699008 BPEQZNMKGFTMQE-BSPOZZLKSA-N 428.657 5.871 30 10 IKEE Cc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)cc1Br 698961191 XQEJTILBKILVKF-SFHVURJKSA-N 435.749 6.417 30 10 IKEE CCCCc1ccccc1C#Cc1cccc#cc2c(cc1C1CC1)=CCCCCC=CC=2 725327464 OMKJQSPUEZPILC-UHFFFAOYSA-N 430.635 6.722 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)CN(C(=O)OC(C)(C)C)C(C)(C)C)c1 829354155 LROXARRSUZDFQQ-GOSISDBHSA-N 447.576 5.364 30 10 IKEE CCOC(=O)[C@H](C)Sc1n[nH]c(NN=Cc2ccc3ccc4cccc5ccc2c3c45)n1 1083849832 NRKNBMMCXZZPOH-AWEZNQCLSA-N 443.532 5.192 30 10 IKEE COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=Nc3ccccc3C)NC2=O)o1 1084011205 SYTOYJVWRJGTDP-UDWIEESQSA-N 435.461 5.063 30 10 IKEE Cc1ccc(-c2nc(N=Cc3cccc(Br)c3)sc2-c2ccccc2)cc1 1084355593 XJFLKQLMVSZOOC-UHFFFAOYSA-N 433.374 7.299 30 10 IKEE CSc1ccccc1N/C(=N/C[C@@H]1CCC[C@H](CN)C1)N1CCC[C@@H]2CCCC[C@@H]21 1088652286 CMKPTBUECZMHFK-KGSLCBSSSA-N 428.690 5.596 30 10 IKEE CCCCOc1ccc(/C=C2\SC(=Nc3ccc(C)cc3O)N(C)C2=O)cc1OC 1772763452 DFOBXZMBFCASAB-AWAAXKIWSA-N 426.538 5.122 30 10 IKEE CCCCC1CCC(C(=O)NCc2ccc(OC(=O)Nc3cccc(C#N)c3)cc2)CC1 1858903810 WOILKPFPVAWZTO-UHFFFAOYSA-N 433.552 5.782 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)/C=C/c1ccc(Cl)cc1 1861099183 HCVOTLJTQMINGN-BBIZSYTBSA-N 435.052 6.285 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCC)NC(=O)CCCOc1ccccc1Cl 1861702736 GHUBUIVIRHTLFA-FQEVSTJZSA-N 425.013 5.261 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CCOC(C)C)cc1 1862379751 KAIHNSKGEMDKCK-HXUWFJFHSA-N 448.346 5.305 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CCCO)cc1 1862380525 FJCQPEHFDORZGU-HXUWFJFHSA-N 448.346 5.078 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CC(C)C)c1 1862404556 DTXGQNQPMYNVHY-HSZRJFAPSA-N 437.536 5.027 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccc(C)cc2)cc1 1862431611 KTGRSEGQKPSOSV-XMMPIXPASA-N 445.946 5.989 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCc2cnc[nH]2)cc1 1862434365 XOEPUVTZCTWQOG-QFIPXVFZSA-N 449.938 5.008 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(Br)cc1 1862438746 PYVNEAJYFVYPNY-GOSISDBHSA-N 448.744 5.337 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCc2ccc(F)cc2)c1 1862442618 TWJQYSZHJUBZKI-QHCPKHFHSA-N 449.909 5.609 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccccc1 1862455770 BZIMCNWJLZAQPH-HTAPYJJXSA-N 445.481 6.041 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2C2CCCC2)cc1 1862464689 CXNFBLOLESBLNC-HXUWFJFHSA-N 440.337 5.278 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cccc(C)c1 1862490197 PRQWCZMTFGCIBA-RCZVLFRGSA-N 433.592 6.549 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cccc(Br)c1 1862510110 WTNYIUYMXQWMEO-IBGZPJMESA-N 446.316 5.275 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2ccc(F)cc2F)cc1 1862535322 YBEWIKLEKFYNBW-XMMPIXPASA-N 447.481 5.614 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc2cc[nH]c2c1 1862597283 YETCBUSFDALKTO-YKSBVNFPSA-N 446.547 5.811 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862618730 IAKLMNVKLIXYEB-NRFANRHFSA-N 436.508 5.127 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1Cl 1862675237 FMMRKOWZASIZAU-QFIPXVFZSA-N 443.946 6.418 30 10 IKEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1 1862675273 GMIBUDQDSDSNJG-OAQYLSRUSA-N 445.918 5.264 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc(OCCC)c1 1862697094 YJTPRSNBEAOGLP-HSZRJFAPSA-N 437.536 5.253 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3cccc4ccccc34)C2=O)cc1 1862893170 FZYVNIMSCGRPBC-UHFFFAOYSA-N 429.479 5.417 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(C(C)(C)C)cc2)=C(c2ccc(Br)cc2)C1=O 1863196166 YJYSMMKFPREOLW-UHFFFAOYSA-N 439.353 5.125 30 10 IKEE C=CCN1C(=O)C(Nc2cc(C)c(Cl)cc2OC)=C(c2cccc3ccccc23)C1=O 1863226894 WFGZXGOXGQTNMK-UHFFFAOYSA-N 432.907 5.188 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C)cc2)=C(c2ccccc2[N+](=O)[O-])C1=O 1863236518 VKDKKYMHTKWVCI-UHFFFAOYSA-N 435.524 5.456 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(N(CCC)CCC)cc2)=C(c2ccccc2Cl)C1=O 1863452463 OCGSCLBOCBKLHO-UHFFFAOYSA-N 437.971 5.344 30 10 IKEE CC(C)c1nc(Nc2ccccc2C#N)cc(N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)n1 1868238091 JKRDKCTVNTXSPV-DEOSSOPVSA-N 439.607 6.854 30 10 IKEE N#Cc1ccc(Nc2cc(N3CCC[C@@H](Oc4ccccc4)C3)nc(-c3ccccc3)n2)cc1 1868376047 GREZIMIQQDXEIY-RUZDIDTESA-N 447.542 5.807 30 10 IKEE CC(C)[C@@H]1c2[nH]cnc2CCN1c1cc(Nc2ccc(C#N)cc2)nc(-c2ccccc2)n1 1868377307 ZHMZLEBXHPQVRL-RUZDIDTESA-N 435.535 5.242 30 10 IKEE Cc1cc(-n2nnc(C#N)c2NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)ccc1Cl 1870142791 VWEYATZMNWVXIY-XVNBXDOJSA-N 432.698 5.060 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)NCCC)c(=O)cc1CSC(C)C 1870189454 DPRSRVFMRNDMGW-UHFFFAOYSA-N 438.678 5.536 30 10 IKEE CCCCCCCCn1cc(OCCOC(C)C)c(=O)cc1CNc1cccc(OC)c1 1870986455 FOBYVDQQELBXRQ-UHFFFAOYSA-N 444.616 5.633 30 10 IKEE O=C1/C(=C/c2cccc(F)c2)Oc2c1ccc1c2CN(CCc2c[nH]c3ccccc23)CO1 1871344997 MZBDHGXJKZPEJB-MXAYSNPKSA-N 440.474 5.318 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(CC)cc2)C3=O)cc1 1871375726 ZYNOOBUIPYMJSL-MYYYXRDXSA-N 428.484 5.412 30 10 IKEE Cc1cc(OC(=O)c2ccc(C(F)(F)F)cc2)cc2c1C(=O)/C(=C/c1ccncc1)O2 1871375749 AVBZTICKLZKEQE-ODLFYWEKSA-N 425.362 5.244 30 10 IKEE Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)c(C)c1 1871402890 OWXHSXAKEXZTCA-WTZXFZKGSA-N 445.490 5.773 30 10 IKEE C[C@@H](Oc1ccc2c(c1)O/C(=C\c1cn(C)c3ccccc13)C2=O)C(=O)Nc1ccccc1 1871403812 ARBQYMICJWNVHQ-YMKHCOABSA-N 438.483 5.201 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccccc4Cl)cc(C)c3C2=O)cc1 1871404202 JAHUIRFKGKHJSE-SUVVMJBMSA-N 447.918 5.979 30 10 IKEE CCN(CC)CCOc1ccc2c(c1C)O/C(=C\c1ccccc1Br)C2=O 1871451713 JMXLYJCXJJHIGX-ZHZULCJRSA-N 430.342 5.094 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OCC(=O)Nc3ccc(Cl)cc3C)c2C)C1=O 1871454294 HRSCMXYKWNRDQT-QRVIBDJDSA-N 447.918 5.899 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2C)C3=O)c1 1871454782 XTGKEXHOMLGXSA-CFRMEGHHSA-N 427.500 5.554 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872060523 VFHMCRLQBSYQHJ-QHCPKHFHSA-N 446.588 5.125 30 10 IKEE C=CCN([C@H](CC(C)C)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1cc(C)ccc1C 1872225381 LIKYUPBXOQHCQH-OAQYLSRUSA-N 449.016 5.187 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccccc1C(C)C)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872435834 VOJLNCAIKXGNOM-DEOSSOPVSA-N 442.625 5.267 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)n2)cc1C 1872765806 XOIPMTINPQCMET-DYESRHJHSA-N 434.561 5.894 30 10 IKEE COc1ccccc1-c1csc([C@H](C#N)C(=O)CCCOc2ccc3ccccc3c2)n1 1872766206 DJJYKHLDLZTYEP-JOCHJYFZSA-N 442.540 6.007 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)C(c3ccccc3)c3ccccc3)n2)cc1 1872768253 OABQKXOSXSEZTE-QHCPKHFHSA-N 438.552 6.217 30 10 IKEE N#C[C@H](C(=O)c1cc([N+](=O)[O-])ccc1Cl)c1nc(-c2cccc3ccccc23)cs1 1872775355 ONDIGYRBOYKDQL-GOSISDBHSA-N 433.876 6.015 30 10 IKEE Cc1nc(SCc2cccc(C(=O)Nc3cccc4ccccc34)c2)c(C#N)c(C)c1C 1872893463 XCEHSYJXMYOVTM-UHFFFAOYSA-N 437.568 6.576 30 10 IKEE CCCCCCCCN1C(=O)C(NC2CCCCCC2)=C(c2cccc(OC)c2)C1=O 1873046395 APAVWPOLPFPUIJ-UHFFFAOYSA-N 426.601 5.448 30 10 IKEE CCCCCCCCCCNC(=O)CCCNC(=O)N1CCc2c([nH]c3ccccc23)C1 1873936966 UUHZEXYUSAKIAR-UHFFFAOYSA-N 440.632 5.273 30 10 IKEE CSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1/N=C/c1ccccc1Cl 1874195351 JZQBIHCJUVCUAW-PCLIKHOPSA-N 443.016 5.845 30 10 IKEE CCSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1cc(C)ccc1O 1874196862 GKAWTMIKFDMTGJ-YZSQISJMSA-N 446.576 5.451 30 10 IKEE CCCOc1ccc(/C=N/n2c(COc3ccccc3OCC)nnc2SCC)cc1 1874241219 UZZRNLFBRJKMJH-LFVJCYFKSA-N 440.569 5.039 30 10 IKEE CCCSc1nnc(COc2cccc(C)c2C)n1/N=C/c1c(F)cccc1Cl 1874324527 PKRCVKVDIINAIW-WYMPLXKRSA-N 432.952 5.651 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2)n1/N=C/c1ccc(O)cc1 1874362473 HBHJBUKXRMPQSM-YZSQISJMSA-N 428.561 5.252 30 10 IKEE C=C(C)CSc1nnc(CCc2cccs2)n1/N=C/c1ccccc1OCCC 1874371867 VPSDCZJDFDFIHH-HZHRSRAPSA-N 426.611 5.464 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2)n1/N=C/c1ccc(N(CC)CC)cc1 1874402504 DLKVYSBJGKZOCD-NLRVBDNBSA-N 433.625 5.460 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(-c2ccccc2)n1/N=C/c1ccc[nH]1 1874428976 KSMFPIZHISMSPB-WYMPLXKRSA-N 428.348 5.755 30 10 IKEE O=C(O)c1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2-c2ccccc2)cc1 1874430646 RRBQXAAPKALRKU-AFUMVMLFSA-N 448.935 5.471 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(O)cc1 1874440357 WNFLBUPUQNHLDG-WGOQTCKBSA-N 430.577 5.900 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2C(F)(F)F)c1 1874461530 RRGCRIOISBRULH-LGJNPRDNSA-N 448.514 5.877 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2sccc2C)c1 1874509343 YDIWZFSETDRFOP-SSDVNMTOSA-N 427.599 5.001 30 10 IKEE CCOc1cc(/C=N/n2c(SCC)nnc2C(C)C)ccc1OCc1ccc(C)cc1 1874513384 VHOXALGEJPRFNZ-MFKUBSTISA-N 438.597 5.682 30 10 IKEE C=CCSc1nnc(C(C)C)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874514461 YXHANGWYEQWQFO-ZVHZXABRSA-N 426.973 5.794 30 10 IKEE COc1cc(/C=N/n2c(S)nnc2C2CC2)ccc1OCc1c(Cl)cccc1Cl 1874558674 RFRRIOMKUNBNHU-AUEPDCJTSA-N 449.363 5.221 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCc3ccc(C)cc3)ccc3ccccc23)c(OC)c1 1874588292 ZHZIKTNLUGVCNG-FOCLMDBBSA-N 438.523 6.641 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccccc2OCc2nc(O)c3ccccc3n2)cc1C 1874590433 AEHOWWLUCNXCRE-OUKQBFOZSA-N 440.499 5.436 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OCC(=O)Nc2cccc(C)c2)c(Cl)c1 1874610415 RJYKXKMGONPLHH-ZRDIBKRKSA-N 435.907 5.571 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OCc1ccccc1C 1874622208 RLIGEFYKYLFIJT-LFIBNONCSA-N 444.571 6.785 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3Cl)c([N+](=O)[O-])c2)cc1 1874622685 POGGORKOWMBZHC-RIYZIHGNSA-N 449.934 7.021 30 10 IKEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2Cl)o1 1874624035 IQLSINUAEBGLMJ-NYYWCZLTSA-N 438.907 6.318 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OCc1ccccc1C 1874626575 LRYGLVNGLSGMRS-SDNWHVSQSA-N 430.544 6.494 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)ccc1OCCc1ccccc1 1874633682 PPNYAEPTSVJVNY-PKNBQFBNSA-N 436.935 6.183 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OCCCO)c(Br)c1 1874634586 JWWXPKGGDRGCPI-GQCTYLIASA-N 439.733 5.077 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1cccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1 1874695045 IRGJFOPXQJIVFP-IZZDOVSWSA-N 429.274 6.177 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccc(F)c(C)c3)c2)cc1 1874696810 MTOGWPIHEHGTMI-LFYBBSHMSA-N 434.463 5.196 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(F)c(F)c3)c2)cc1 1874701252 ISMYRCWMGPHPFS-UUILKARUSA-N 438.426 5.487 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1OC(=O)c1ccc(Cl)cc1 1874703728 DYIHROBOJUULJC-VZUCSPMQSA-N 436.891 5.781 30 10 IKEE C[C@@H](C(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1Cl)c1ccccc1 1875097485 MWLWUBMJYASCBR-FERCGXDMSA-N 444.958 6.824 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)ccc1OC(=O)c1ccccc1Cl 1875102677 AOVUAOVLGCVLIO-RVDMUPIBSA-N 434.919 6.416 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3)c([N+](=O)[O-])c2)cc1 1875106182 GKSQBZKNTFFFGU-FOWTUZBSSA-N 429.472 6.053 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(C)c3)cc2OC)c1 1875108958 PAVHWBBRWQIHSJ-DHZHZOJOSA-N 432.472 5.136 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3F)c(OC)c2)cc1C 1875109047 TXAFFPQKKSDQKF-DHZHZOJOSA-N 434.463 5.196 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc([N+](=O)[O-])c1OC(=O)C(C)(C)C 1875109444 NYIWUDFKEBFWMR-CSKARUKUSA-N 441.480 5.158 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OC(=O)c1ccc(CC)cc1 1875115257 UTYVCMQLCCCUNL-LZYBPNLTSA-N 430.500 5.772 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC 1875116107 LTIRJNAZGPTMGI-OQLLNIDSSA-N 425.481 5.765 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Br)c(OC(C)=O)c(OCC)c2)cc1 1875130635 LJOMFYHBNYXRJA-IZZDOVSWSA-N 433.298 5.068 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1ccccc1OC 1875136620 SOAASQZGEZVCBI-DTQAZKPQSA-N 442.511 5.856 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)CCCOc2cccc(C)c2)cc1 1875143881 VOAHDMWCIQQXQS-NTCAYCPXSA-N 444.527 5.973 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccncc2)c(Br)c1)c1ccc(F)cc1 1875158027 BKHACFXIFOKPIY-LREOWRDNSA-N 426.241 5.099 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 1875159210 HIAVEPGYDMNRFH-QDEBKDIKSA-N 435.407 5.166 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N1CCCCCC1)n2CCC 1875205204 INNRTPQXJCIKIC-UHFFFAOYSA-N 441.664 6.410 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCCC2(CCC2)[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CC1 1924816547 DVAVWTILCSICHL-XDHUDOTRSA-N 433.593 5.143 30 10 IKEE CC1(C)CC[C@H](Nc2cc(Br)ccc2C#N)[C@@H](CNC(=O)OC(C)(C)C)C1 1927070238 NTMSFFWYKURPEV-WBVHZDCISA-N 436.394 5.452 30 10 IKEE CC(C)(C)OC(=O)NCC[C@@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C1 1949137050 YTGSOOUIILHIQH-MHECFPHRSA-N 435.609 5.533 30 10 IKEE N#Cc1ccc([C@H](CCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)s1 1951697540 PCEWWRDHVHGSCA-NRFANRHFSA-N 432.501 5.064 30 10 IKEE C[C@@H](c1cccs1)N(Cc1ccccc1)c1nc(B2OC(C)(C)C(C)(C)O2)cs1 1981467775 QJVMEPFYBNLKQT-INIZCTEOSA-N 426.416 5.272 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)C2(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 1997643022 MOKFXMVALGFUMI-QLCVBSLISA-N 433.593 5.095 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CN(C(=O)OC(C)(C)C)CC[C@@H]1C 1999948339 XNUMFOFFNZGUAZ-UUOWRZLLSA-N 429.561 5.276 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)C1=CC[C@H](C(C)(C)C)CC1 2010730545 ZPJRICIMHQLZOZ-FCHUYYIVSA-N 429.601 5.828 30 10 IKEE C=CCCCCCCCCC[C@H](CN(Cc1ccccc1)C(=O)OC(C)(C)C)NCC 2026315429 ZNSXMKPYIYHPHE-RUZDIDTESA-N 430.677 7.099 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]2CCCCN2C(=O)OC(C)(C)C)cc1 2032407091 YIIUTZZWVRSPAY-WOJBJXKFSA-N 445.560 5.118 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@]1(C#N)CN(Cc2ccccc2)C2(CCC2)C1 2037915824 ZGNJZGUCZMZKEP-AREMUKBSSA-N 435.543 5.658 30 10 IKEE CC[C@H]1CSC(Nc2ccc(C(=O)C=Cc3ccc(Oc4ccccc4)cc3)cc2)=N1 2040459109 QFFSNQJKVMTZBJ-NRFANRHFSA-N 428.557 6.668 30 10 IKEE Cc1ccc([C@H](n2nc(C(F)(F)F)c(/C=N/O)c2Br)C2(C)CC2)cc1C 2079016258 JXARDJBEYRKZFR-RRDOOKONSA-N 430.268 5.479 30 10 IKEE CC(C)c1ccc([C@@H](C)n2nc(C(C)C)c(C=NO)c2I)cc1 2079903567 DZNOVNLQBRHCOB-CYBMUJFWSA-N 425.314 5.152 30 10 IKEE CC1(c2nn([C@H](c3ccc(C(F)(F)F)c(F)c3)C3CCC3)c(Cl)c2C=NO)CC1 2080004523 BMUWELBBRNUKGY-INIZCTEOSA-N 429.845 5.944 30 10 IKEE N#Cc1c(C2CCCCC2)nn2c(Cl)cc(-c3ccc(C(F)(F)F)c(Cl)c3)nc12 2081163134 IEJOBWQYGXEAKL-UHFFFAOYSA-N 439.268 6.641 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCC)c2ccc(Br)c(Cl)c2)C1 2126626472 VKDRRTJYCWMIGY-KRWDZBQOSA-N 443.813 5.614 30 10 IKEE CC(C)(C)OC(=O)NCc1ccc(Nc2cc(Br)c(C#N)cc2F)cc1F 2162316682 QHEZYRRGSJNEIP-UHFFFAOYSA-N 438.272 5.367 30 10 IKEE C[C@@H](Nc1ccc(C#N)c(Br)c1F)[C@@H](NC(=O)OC(C)(C)C)c1ccco1 2172876164 CPYMEGZBTIKAJB-PIGZYNQJSA-N 438.297 5.119 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(F)cc(C(=O)Nc2ccc(C#N)cc2Br)c1 2181156984 XCVWCNKMJJGECF-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE CC[C@H]1CN(c2cc(Cl)c(F)cc2C#N)[C@H](CC)CN1C(=O)OCc1ccccc1 2184423571 SNSVEMULHINHDW-MOPGFXCFSA-N 429.923 5.367 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C=CC(=O)C#Cc2ccccc2Br)cc1 2235723520 KZXBOPPPPUXWSU-UHFFFAOYSA-N 426.310 5.430 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(Nc2cccc(Br)c2)C[C@@H]2CCCC[C@H]21 2279689461 VHPOQQPADZBQHQ-KLHJMIIUSA-N 434.378 5.323 30 10 IKEE C=C([C@@H](NCC)[C@](C)(O)c1cc(Br)c(Br)s1)C(C)(C)C 2281232892 JZFIQXHOMKEIHH-IUODEOHRSA-N 425.230 5.061 30 10 IKEE CCCCCCC[C@@H](NC)[C@@](C)(O)c1cc(Br)c(Br)s1 2281285125 FGMNBLBXSLPWEQ-IUODEOHRSA-N 427.246 5.429 30 10 IKEE Cc1cc(C=C2SC(=Nc3ccccc3)N(Cc3ccc(C(=O)O)cc3)C2=O)c(C)n1C 2293823851 FWRFGOIJOMUYSH-UHFFFAOYSA-N 445.544 5.144 30 10 IKEE CC(C)(C)OC(=O)NC1(CC[C@@H](O)C#Cc2ccc(Br)cc2)CCCCC1 2296284508 RIFPLSLPPKLGEU-IBGZPJMESA-N 436.390 5.169 30 10 IKEE CCC[C@]1([C@H](N)C#Cc2cccc(Br)c2)CCCCN1C(=O)OC(C)(C)C 2296288814 KQEILHWEGIDGKK-DENIHFKCSA-N 435.406 5.088 30 10 IKEE O=C(C(=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)C(F)(F)F)c1ccccc1 2297497541 PALALLIHUDRAIR-UHFFFAOYSA-N 438.323 6.363 30 10 IKEE CCCCCCCCCCCCCCCCNC(=S)NC(=O)C=Cc1ccc(C)o1 2313617569 WLFXKQUTRVYZRM-UHFFFAOYSA-N 434.690 7.073 30 10 IKEE CC(C)(C)[C@H]1CCc2c(sc(NC(=O)C=Cc3ccc(-c4ccccc4)o3)c2C#N)C1 2313785491 YOIJJLVFJQDKTQ-SFHVURJKSA-N 430.573 6.683 30 10 IKEE Cc1nnc(SCc2ccc(F)cc2)n1N=Cc1cccc(OCc2ccccc2)c1 2321090522 NRNMLSXNHVHVCB-UHFFFAOYSA-N 432.524 5.479 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(OCc3c(Cl)cccc3Cl)c2C)C1=O 2321779787 NRFNRUWUUBFYQO-UHFFFAOYSA-N 431.340 6.867 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccccc1F)O3)CN(CCc1ccc(Cl)cc1)CO2 2321935544 XYANBQXYBLSJTK-UHFFFAOYSA-N 449.909 5.798 30 10 IKEE O=C1C(=Cc2ccc(Cl)c(Cl)c2)Oc2c1ccc1c2CN(Cc2cccs2)CO1 2321967132 ILPQMUJFDIRNAQ-UHFFFAOYSA-N 444.339 6.023 30 10 IKEE Cc1ccc(OCc2nnc(S)n2N=Cc2ccccc2OCc2ccccc2)cc1C 2322056815 SEAMMVPIIINDQN-UHFFFAOYSA-N 444.560 5.224 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(C(C)C)cc1)O3)CN([C@H]1CCCC[C@@H]1C)CO2 2322153291 XNGDXWUEBJXMMV-MBSDFSHPSA-N 431.576 6.465 30 10 IKEE Cc1ccc(C)c(CN2COc3ccc4c(c3C2)OC(=Cc2ccc(N(C)C)cc2)C4=O)c1 2322170861 PTFRRDMCFJYTAV-UHFFFAOYSA-N 440.543 5.338 30 10 IKEE Cc1ccccc1COc1ccc2ccccc2c1C=CC(=O)c1ccc2ccccc2c1 2322318941 FECFCWCCJXAUQK-UHFFFAOYSA-N 428.531 7.777 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(Cl)cc2C=CC(=O)c2ccc3c(c2)OCO3)c1 2322698955 ZVCZBIQUKQQEQP-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccccc1OCc1ccccc1Cl 2322828285 LTLUPXAIWBCYKZ-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccccc2OCc2nc(O)c3ccccc3n2)c1C 2322833145 ZZSZCBHSZCJWQI-UHFFFAOYSA-N 438.527 6.044 30 10 IKEE Cc1cc(O)nc(NN=Cc2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)n1 2323117174 PHAKWHXYDGCWFZ-RUZDIDTESA-N 448.530 5.292 30 10 IKEE Cc1cc(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc2c1C(=O)C(=Cc1ccccc1)O2 2323231564 NKNCLXKJMLHARX-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1OCC(=O)NCc1ccco1 2323259176 PPBTXWXRDCJKTI-UHFFFAOYSA-N 447.531 5.113 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(OC(=O)C(Cl)=Cc3ccccc3)c2C)C1=O 2323444153 IRVUKANTANEILP-UHFFFAOYSA-N 436.916 6.166 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1cccc(Br)c1 2323652078 LLDMQAHMAVBCFZ-UHFFFAOYSA-N 438.277 5.832 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccccc1Cl)C2=O)c1ccc(-n2cccc2)cc1 2323675414 KUMLATXURWCBMG-UHFFFAOYSA-N 441.870 5.966 30 10 IKEE Cc1cccc(COc2ccc(C=CC(=O)c3ccc(Cl)c(Cl)c3)cc2Cl)c1 2323882148 HEJVMHSSSRFJPP-UHFFFAOYSA-N 431.746 7.430 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OC 2323960132 SXORUKJVKFFMGB-UHFFFAOYSA-N 443.543 5.788 30 10 IKEE Cc1ccc(C)c(COc2ccc(C=CC(=O)c3ccc4c(c3)OCCO4)cc2Cl)c1 2324035807 QYSSCISYVMMRLW-UHFFFAOYSA-N 434.919 6.203 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c(C)c1 2324545402 DVJORBZQQWSXOK-UHFFFAOYSA-N 425.355 7.394 30 10 IKEE Cc1c(OCCOc2ccc(C(C)(C)C)cc2)ccc2c1OC(=Cc1cccc(F)c1)C2=O 2324690307 FYWFKVNLERUUIZ-UHFFFAOYSA-N 446.518 6.506 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCc4cccc(Oc5ccccc5)c4)c3C)C2=O)o1 2325351339 TYAKYNKOHISEME-UHFFFAOYSA-N 438.479 6.884 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1c(Cl)cccc1Cl 2325509524 KPKCHPNCATWQHL-UHFFFAOYSA-N 433.408 6.410 30 10 IKEE Cc1cc(OCC(=O)Nc2c(F)cccc2F)cc2c1C(=O)C(=Cc1cccc(F)c1)O2 2325511273 PWMSVNQWBKSJTH-UHFFFAOYSA-N 439.389 5.046 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1cn(C)c2ccccc12 2325593016 POWBLSHEMPLWGT-UHFFFAOYSA-N 444.391 5.814 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2cccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 2325686258 BTLHEDGXOIJVRL-UHFFFAOYSA-N 429.472 6.008 30 10 IKEE O=C(C=Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1 2325701500 ZIZZAWGVVBLJDK-UHFFFAOYSA-N 436.851 5.048 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cccnc3)c2)cc1OCCC 2325726851 UEWBVVUFTNUNRJ-UHFFFAOYSA-N 445.515 5.775 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1OC(=O)c1ccc(C(C)(C)C)cc1 2325729582 QGAGPXMKHKMTGH-UHFFFAOYSA-N 448.946 6.761 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)c2ccc(F)c(F)c2)c1 2325764052 OIYOTDLBGQEEGG-UHFFFAOYSA-N 442.845 6.051 30 10 IKEE COc1ccc(C=Nn2c(CCCOc3ccc(C(C)(C)C)cc3)nnc2SC)cc1 2325831149 XNDXYALLSXLKGM-UHFFFAOYSA-N 438.597 5.200 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1ccccn1 2325885417 UTPVZHQJSBQHRJ-UHFFFAOYSA-N 443.576 5.388 30 10 IKEE COc1cccc(C=Nn2c(Cc3ccccc3)nnc2SCc2cc(C)cc(C)c2)c1 2326426267 QTDMSWGSLWVQDO-UHFFFAOYSA-N 442.588 5.669 30 10 IKEE C=C(C)CSc1nnc(COc2cc(F)ccc2F)n1N=Cc1ccc(CC)cc1 2327459982 HGCCIWYBUKDIES-UHFFFAOYSA-N 428.508 5.248 30 10 IKEE CCCCC1CCC(c2nnc(SCCO)n2N=Cc2cc(Cl)ccc2O)CC1 2328209757 LVIUWIPCSZPTKQ-UHFFFAOYSA-N 437.009 5.068 30 10 IKEE C=CCSc1nnc(COCc2ccccc2)n1N=Cc1ccc(Cl)cc1Cl 2329352565 PKWOMECNGDKVHW-UHFFFAOYSA-N 433.364 5.462 30 10 IKEE Cc1ccccc1C=Nn1c(CCc2ccccc2C)nnc1SCc1cccc(F)c1 2329477965 SWVJMXJZZKVWFD-UHFFFAOYSA-N 444.579 5.994 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cc(C)ccc3C)n2N=Cc2ccc(O)cc2)cc1 2330002137 FSRHVGATAKWJGV-UHFFFAOYSA-N 442.588 5.674 30 10 IKEE CCOc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCCc2ccccc2)cc1 2330275885 TXRXPLRBZQDXLT-UHFFFAOYSA-N 448.636 6.017 30 10 IKEE CSc1nnc(Cc2ccccc2)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2330448834 DDZPNUCPNBEDTC-UHFFFAOYSA-N 448.979 5.705 30 10 IKEE Cc1cnc(C(=O)Oc2ccc(C=CC(=O)c3ccc4ccccc4c3)cc2Cl)cn1 2330659251 NVBGKNCDWDXOLT-UHFFFAOYSA-N 428.875 5.707 30 10 IKEE CCc1ccc(C=Nn2c(SCc3ccc(C(=O)OC)o3)nnc2-c2ccccc2)cc1 2330668075 WTENACNPJNUWNO-UHFFFAOYSA-N 446.532 5.062 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1Cl 2330682840 ICLKZJSBGANXKA-UHFFFAOYSA-N 448.921 6.402 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)c3ccccc3)c(Cl)c2)cc1C 2330862860 YMBVVCRUAFWXMS-SFHVURJKSA-N 434.919 6.262 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(O)cc1O 2330867458 SLZZIOSWCDPHFA-UHFFFAOYSA-N 430.961 5.106 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C2CCCC2)c1 2331049706 JIFNJKFXHQFDSV-UHFFFAOYSA-N 437.525 5.027 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)cc(Cl)c1OC(=O)c1cccs1 2331069631 DKBOHFHDUFZVJF-UHFFFAOYSA-N 442.920 5.924 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@H]2C[C@H]2c2ccccc2Cl)cc1)c1ccc(Cl)cc1 2331141888 YBQZOKMWUIIYSF-VXKWHMMOSA-N 437.322 6.599 30 10 IKEE Oc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C(F)(F)F)cc1O 2331149893 MYCLHCKYECVMIU-UHFFFAOYSA-N 444.438 5.036 30 10 IKEE CN(C)c1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2-c2ccco2)cc1 2331211241 UDBMATWHTXSFAL-UHFFFAOYSA-N 437.956 5.432 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cc(Cl)ccc1O 2331346053 UYAONGROISQROD-UHFFFAOYSA-N 435.380 5.808 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC(=O)CCc1ccccc1 2331371814 KFLJHCRTUNLRSC-UHFFFAOYSA-N 444.527 5.837 30 10 IKEE Fc1cccc(CSc2nnc(C3CCC3)n2N=Cc2ccc(Cl)c(Cl)c2)c1 2331500436 IHTYQCLJUJSEGO-UHFFFAOYSA-N 435.355 6.166 30 10 IKEE CCCN(CCC)C(=O)CSc1nnc(C2CCC2)n1N=Cc1ccc(C(C)C)cc1 2331539329 POSYYXJFGXAXNP-UHFFFAOYSA-N 441.645 5.292 30 10 IKEE Oc1ccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C2CCC2)cc1O 2331543380 IXJXCYZXRPKOBX-UHFFFAOYSA-N 449.363 5.438 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccs3)c(OC)c2)cc1Cl 2331834927 BEDLUBQDOAWKIL-UHFFFAOYSA-N 428.893 5.534 30 10 IKEE CC(C)C[C@@H](COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339597322 PQCFLGSUQUCENZ-IBGZPJMESA-N 446.397 5.044 30 10 IKEE CCCCCCCCN1C(=O)c2cccc3c(B4OC(C)(C)C(C)(C)O4)ccc(c23)C1=O 2356096705 LBBKVSWOMWMICQ-UHFFFAOYSA-N 435.373 5.096 30 10 IKEE N#C[C@@]1(Cc2ccc(I)c(Br)c2)CCc2ccccc21 2377408077 RKAGJOITANLJII-KRWDZBQOSA-N 438.106 5.004 30 10 IKEE C=CCN1C(=O)[C@H](Cc2cccc(C(F)(F)F)c2)S/C1=N\N=C(/C)c1ccc(F)cc1 9363679 QEDZPCJTDQBXSY-JZGSCPJPSA-N 449.473 5.297 30 10 IKEE CN(C/C(O)=N/c1nc(-c2cccc([N+](=O)[O-])c2)cs1)Cc1nc2ccccc2s1 14073753 BGGMNWZTEVUMTI-UHFFFAOYSA-N 439.522 5.048 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(Cl)c2Cl)cc1 21225690 IRXUPLHPEIHOKD-RHSMWYFYSA-N 430.331 5.396 30 10 IKEE CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)cc2Cl)cc1 21236800 IUFIIQOFXPNLOB-HNAYVOBHSA-N 442.386 6.295 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OC(C)C)cc2)C3)cc1 21241914 CUCAYPHIBYVIMI-NFBKMPQASA-N 433.548 5.267 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2O)cc1 21260293 WPLKTBRLWBDXOP-CLYVBNDRSA-N 426.516 5.770 30 10 IKEE CCCCOc1ccc(/C=N/N=C2\NC(=O)C(c3ccccc3)(c3ccccc3)S2)cc1 28287499 SLZDRVIBBZYNBY-ZXVVBBHZSA-N 443.572 5.362 30 10 IKEE Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)S2)c(C)c1 33517058 YUUSNIORDCAQLF-UNOMPAQXSA-N 440.977 6.593 30 10 IKEE C[C@@H]1Oc2ccccc2C=C1/C=C1/Oc2cc(OCc3ccc(F)cc3Cl)ccc2C1=O 33531469 HCJVAUWBSSUGAA-OZKYXLFASA-N 448.877 6.382 30 10 IKEE Cc1c(OC(=O)c2cccs2)ccc2c1O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 41251527 JLQUQYNLESJVKN-KQWNVCNZSA-N 438.504 6.559 30 10 IKEE C=CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1cccc(Cl)c1 59794775 YKFXFSYOBBVRBB-UHFFFAOYSA-N 433.364 5.477 30 10 IKEE C/C(=N\Nc1nc(SCc2nnc(-c3ccccc3)o2)n[nH]1)c1ccc2ccccc2c1 59819891 SJTPBKDTVBCYJV-MFKUBSTISA-N 441.520 5.136 30 10 IKEE N#Cc1ccc(-n2c(SCCCC(=O)c3ccc(F)cc3)nc3ccccc3c2=O)cc1 71814208 XGJQOXXVLWEXGD-UHFFFAOYSA-N 443.503 5.152 30 10 IKEE O=C(/C=C\c1ccc(COc2ccc3c(c2)CCC3)o1)c1ccc(Cc2ccccc2)s1 96576915 KHGLPLOZAIJRQG-SQFISAMPSA-N 440.564 6.896 30 10 IKEE COc1ccc(/C=C2/Oc3c(ccc(O)c3CN3CCCC[C@H]3c3cccnc3)C2=O)cc1 97530634 NSPKOYAWBNWQTQ-JKJLQIMHSA-N 442.515 5.139 30 10 IKEE CCCCCCCCCCCCCCCCNCC(=O)Nc1cccc(O[C@H](C)CC)c1 100055825 FEQVJEMDCPEZQM-RUZDIDTESA-N 446.720 7.873 30 10 IKEE CCCCCCCOc1ccc(NC(=O)CNc2ccc(C(=O)N[C@@H](C)CC)cc2)cc1 100100763 IYLLIZVVITZDSI-FQEVSTJZSA-N 439.600 5.615 30 10 IKEE Cc1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccc(Cl)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 102535848 LHBNCNIDBBNVIY-SADKCHQCSA-N 448.862 5.183 30 10 IKEE CCCCCCCCCC(=O)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccc(OC)cc1OC 102998255 KRENPAJRNPCZTJ-NOTZXAQLSA-N 430.633 5.456 30 10 IKEE CCCN1C(=S)N[C@@H](c2ccc(OC)c(OCc3ccc(C)cc3)c2)C(C(C)=O)=C1C 169930316 PBHDCOMETSAZLS-DEOSSOPVSA-N 438.593 5.087 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(OCc3ccccc3C)cc2)NC(=S)N1C 169935325 QJSNJIPUGKAOAS-RUZDIDTESA-N 442.584 5.592 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccc(Cl)cc2)c1 169969920 JBKRRSUAWCDQNP-XMMPIXPASA-N 431.919 5.750 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2cccc(C)c2)cc1 169972495 NMUCPTRLTQSYHH-DEOSSOPVSA-N 445.490 5.311 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(C(C)C)cc1 170066058 DWHSNAOYLWFOIF-XMMPIXPASA-N 447.531 5.560 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2c[nH]c3ccccc23)cc1 170075149 DRHRXHKHFSAWCQ-VWLOTQADSA-N 436.511 5.876 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C2CCCCC2)c1 170119375 CNYBUGLVEFXYST-VWLOTQADSA-N 441.527 5.759 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(C(C)C)c3)=C(O)C(=O)N2C2CCCC2)c1 170121428 LCTQQGLNJYEXPB-XMMPIXPASA-N 449.547 5.348 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2C2CCCCC2)c1 170145423 WCGXFSJQJDVGPR-XMMPIXPASA-N 433.548 5.693 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2cccnc2)cc1C 170190488 FBOZPLPVFZHUQO-DEOSSOPVSA-N 442.515 5.188 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2C2CCCC2)cc1 170214567 YXHOSJJIBYHRSX-QHCPKHFHSA-N 430.504 5.088 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccccc2)c1 170226432 JKFJACMZFJRIRZ-JOCHJYFZSA-N 433.891 5.522 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2ccccc2)c(C)c1 170229016 DULADCBCYNLTFW-QFIPXVFZSA-N 435.426 5.065 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2)ccc1OC(C)C 170230513 CICVWLMVHGMMNS-QHCPKHFHSA-N 431.488 5.154 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(Cl)cc2)c1 170236938 KEKFVGKREWZOBQ-QFIPXVFZSA-N 439.939 5.648 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@H]1c1ccc(F)cc1 170243799 DLJSHJLJGIQCIP-HSZRJFAPSA-N 439.527 5.726 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccccc1F)c1ccc(Cl)cc1 170247897 QKXWLWGYUDRZBS-FQEVSTJZSA-N 425.818 5.401 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1F 170249009 UCGDGFDHBCHCHR-NRFANRHFSA-N 437.854 5.271 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2ccc(C)o2)cc1 170306204 XZQMXIOYNRQGAQ-OAQYLSRUSA-N 439.414 5.048 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1c(C)[nH]c2ccccc12 170311873 VBPRMKOOXJQNIC-QHCPKHFHSA-N 428.488 5.601 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Br)c2)[C@H]1c1cccs1)c1cccs1 170349114 KFLODZHQDQTEBT-INIZCTEOSA-N 446.347 5.355 30 10 IKEE O=C1/C(=C/c2ccc(O)cc2)SC(=Nc2ccccc2)N1CCc1c[nH]c2ccccc12 254814987 WUBWAPCCYPOPQB-VYYDMKJGSA-N 439.540 5.720 30 10 IKEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(C)o2)cc1OCC 526489136 GIQUVMKCPSDWKI-DEOSSOPVSA-N 444.487 5.314 30 10 IKEE CCOc1cc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2cccc(C#N)c2)ccc1OC 526515209 IESOWDOMAGFHEH-JOCHJYFZSA-N 432.501 5.084 30 10 IKEE CCc1nnc(SCc2ccccc2F)n1/N=C\c1c(Cl)ccc(Cl)c1Cl 526802339 DMYCHNBXBXGOJK-AQHIEDMUSA-N 443.762 6.114 30 10 IKEE CCCCOc1ccc(/C=N\n2c(CCCC)nnc2SCc2ccc(C)cc2)cc1 526806030 WYIFFPYYHFAVJZ-ITYLOYPMSA-N 436.625 6.283 30 10 IKEE CCCOc1cc(/C=N\n2cnnc2SCc2cccc3ccccc23)ccc1OC 526820686 YMUPTLOGSAGZJL-YSMPRRRNSA-N 432.549 5.403 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1cccc(Cl)c1 526824140 MEOKFPOMDXJHFH-YVNNLAQVSA-N 425.772 5.975 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)Nc3ccccc3C)C2)c1 585880971 TYINLFZZWMZLTG-QFIPXVFZSA-N 434.584 5.259 30 10 IKEE N#Cc1ccc(Br)cc1Nc1cc(Cl)ccc1I 690214177 RTFBAZCBNZEGLJ-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@H]1CCCN1C(=O)OC(C)(C)C 698371961 GDHVTNMDUKLNMG-NTKDMRAZSA-N 445.560 5.118 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)CN(C(=O)OC(C)(C)C)C(C)(C)C 698417752 HDCNUBLBVXUJBK-SFHVURJKSA-N 431.577 5.664 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@](C)(C#N)[C@@H]1CC2CCC1CC2 698491599 ZCYAUQGWIDNOEJ-HCGPFCPLSA-N 433.390 6.299 30 10 IKEE COc1cc(F)cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)c1 698498496 VAJMBIZKDIKJHF-GOSISDBHSA-N 435.293 5.603 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2ccc(C)c(Br)c2C)c1 719631367 FHWNGWGHFMVGOY-IBGZPJMESA-N 429.358 6.381 30 10 IKEE C=C1CCC(C[C@H](NCC)c2ccc(NC(=O)OC(C)(C)C)c(Br)c2)CC1 724567406 KDDACHRTBRKYPP-FQEVSTJZSA-N 437.422 6.583 30 10 IKEE Cc1ccccc1/C(O)=C(/C(=S)Nc1ccccc1C#N)[n+]1c(C)ccc(O)c1Cl 777513916 ZCVKKJBCZUCVFN-UHFFFAOYSA-O 436.944 5.145 30 10 IKEE COc1ccc(O)c(C=Nc2cc(C(F)(F)F)ccc2Oc2ccc(C)cc2Cl)c1 1084270351 YFCNUGDZUHNCBT-UHFFFAOYSA-N 435.829 6.924 30 10 IKEE N#CCOc1ccc(C=Nc2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1 1084343802 JXKSAHBKOVSBDM-UHFFFAOYSA-N 429.545 5.210 30 10 IKEE Cc1ccc2nc(-c3ccc(N=Cc4c5ccccc5cc5ccccc45)cc3)sc2c1 1084501913 LPLMEUVEBMPYMZ-UHFFFAOYSA-N 428.560 8.329 30 10 IKEE O=C(Nc1ccccc1)[C@@H]1CC(=O)N(Cc2ccc(Cl)cc2)C(=Nc2ccccc2)S1 1084594884 WTJVRPJRYKCSIW-NRFANRHFSA-N 449.963 5.501 30 10 IKEE C=C(C(=O)c1ccccc1)[C@H](c1ccccc1)[C@H](CN1CCCCC1)C(=O)c1ccccc1 1088715413 XLNXTWALOUGVKR-WUFINQPMSA-N 437.583 6.194 30 10 IKEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(CC(C)C)C(C)C 1760148499 BTDCWQJNXHEFCK-UHFFFAOYSA-N 433.394 5.000 30 10 IKEE N#Cc1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2cccc(Cl)c2)n1 1859385719 DJTDOAAUXDRLSF-UHFFFAOYSA-N 433.298 5.970 30 10 IKEE N#Cc1cnn(-c2ccccc2)c1NC(=O)c1c2c(nc3c(Cl)cccc13)CCCC2 1859651218 GZWMVTABFXBZTF-UHFFFAOYSA-N 427.895 5.077 30 10 IKEE CCCCCCCCCCNC(=O)c1cnc2c(c1)c(C)nn2-c1ccc(Cl)cc1 1859670969 GIOCZCIZJURLOF-UHFFFAOYSA-N 426.992 6.253 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)c1cc(Cl)ccc1Cl 1861764188 GKPZVYQOTACHER-JOCHJYFZSA-N 429.432 6.149 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2cccc(Br)c2)n(Cc2ccccc2)n1 1862352766 ADEVBHGBJSQDMS-UHFFFAOYSA-N 436.353 5.175 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CCCC2)cc1 1862415188 RDXNEJISELVPPM-JOCHJYFZSA-N 425.475 5.609 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(C(C)(C)C)cc1 1862435464 WXBVLURSDRPIML-JOCHJYFZSA-N 439.983 6.262 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862445607 ZPOUSUZFMSJJKP-WAIKUNEKSA-N 447.918 5.688 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCc2ccc(F)cc2)c1 1862507185 GAOKBSUBWBVHER-XMMPIXPASA-N 447.481 5.403 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 1862538071 COZPVJSDERIHGA-XOBRGWDASA-N 431.454 5.645 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CCCO)cc1 1862584031 OMMQHTNHFUDDGU-HXUWFJFHSA-N 448.346 5.078 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCN(C)C)cc1 1862615171 IYKPQLQQVSJVQJ-XMMPIXPASA-N 448.607 5.247 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccccc1 1862615287 KQFWBQQWSFNMTK-XANCMCCPSA-N 431.576 6.141 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2F)cc1 1862616214 PCBOSUMARZVWDZ-QHCPKHFHSA-N 444.506 5.297 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1cccc2ccccc12 1862620028 JAQYUEXEILWNMV-RUZDIDTESA-N 441.571 6.372 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1ccc(CC)cc1 1862637865 NXRZGBDMIHIWGP-QFIPXVFZSA-N 425.500 5.165 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2ccccc2F)cc1F 1862639243 UKYIRGVLIQFCIW-QHCPKHFHSA-N 449.453 5.060 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(Cl)cc2)cc1 1862661482 QMHLDJPXUKCORQ-HSZRJFAPSA-N 437.967 6.374 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc(OCc2ccccc2)c1 1862685344 UPJUAFVAEVDXAT-HSZRJFAPSA-N 431.463 5.003 30 10 IKEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862695276 CRHVBJRJLYIRDS-GAJHUEQPSA-N 437.536 5.251 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(OC)cc1 1862725945 VJNNHJTTZYXLQS-XMMPIXPASA-N 425.484 5.127 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cc(Cl)cc(Cl)c1 1862759995 CYUUAPASEJKCEV-ADLMAVQZSA-N 449.290 5.278 30 10 IKEE N#Cc1ccccc1N1C(=O)C(Nc2cccc3ccccc23)=C(c2ccccc2F)C1=O 1862934013 IDSMPRALZJNICG-UHFFFAOYSA-N 433.442 5.247 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(Cl)c2)=C(c2ccc(OC)cc2)C1=O 1863325258 WXZIWPIBEALEHA-UHFFFAOYSA-N 440.971 5.901 30 10 IKEE CCCCCCCCNC1=C(c2ccc(C)c(C)c2)C(=O)N(CCCc2ccccc2)C1=O 1863611217 OKADPFYPXIUSJO-UHFFFAOYSA-N 446.635 5.966 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(Cl)c(Cl)c2)C(=O)N(CCC)C1=O 1863627101 RRDAEHYMAZXRDT-UHFFFAOYSA-N 439.427 6.214 30 10 IKEE CC[C@](C)(NC(=O)C[C@@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1cccc(C#N)c1 1866781395 IPOLRKWMJABEBG-IGKIAQTJSA-N 443.522 5.143 30 10 IKEE C[C@H]1Cc2ccccc2N(c2cc(Nc3ccc(C#N)cc3)nc(-c3ccc(F)cc3)n2)C1 1868465848 LDHIFXXXCAESLK-SFHVURJKSA-N 435.506 6.228 30 10 IKEE C=CCn1cc(OCC(=O)Nc2cccc(Cl)c2Cl)c(=O)cc1CSC(C)C 1870209452 SFTRKVBAZMPJIE-UHFFFAOYSA-N 441.380 5.000 30 10 IKEE CCCCCCCOc1cn(CC)c(CSCCc2nc3ccccc3[nH]2)cc1=O 1870251719 SBBZKINAUJBJPH-UHFFFAOYSA-N 427.614 5.570 30 10 IKEE CCCCCCCOc1cn(CCCOC(C)C)c(CSc2ccccc2)cc1=O 1870251994 ZZQQFQDPZXMXGB-UHFFFAOYSA-N 431.642 6.305 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(C(C)C)cc2)cn1Cc1cccnc1 1870470734 UFKKGWNDQAKZSK-UHFFFAOYSA-N 443.591 5.168 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2c(C)cccc2C)cn1CCCOC(C)C 1870490787 WOUITBUJEXUCBC-UHFFFAOYSA-N 438.612 5.033 30 10 IKEE C=CCn1cc(OCCCOc2ccc(CC)cc2)c(=O)cc1CNc1cccc(F)c1 1870880924 HZUYOGNHZMYBGO-UHFFFAOYSA-N 436.527 5.196 30 10 IKEE C=CCn1cc(OCCCc2ccccc2)c(=O)cc1CNc1ccc(Cl)c(Cl)c1 1871137570 FERKMIPKSUHBNB-UHFFFAOYSA-N 443.374 5.965 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O3)CN([C@@H]1CCCC[C@H]1C)CO2 1871350964 CQWFIEPKGYXDES-QVYNFRDDSA-N 445.603 6.639 30 10 IKEE O=C1/C(=C/c2ccncc2)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc21 1871369975 LXRGAHJSNUUUIV-UQQQWYQISA-N 433.463 5.435 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OC(=O)CCCOc4ccccc4C)c3C)C2=O)cc1 1871371019 HASBIEIKLQLJBR-UQQQWYQISA-N 442.511 5.993 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(OC)c2)C3=O)c1 1871387708 KYGFUAFICCZITD-IWIPYMOSSA-N 444.483 5.628 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc(OCCOc3ccc(Cl)cc3)c2C)C1=O 1871414310 FSBLNGPWUKLOOC-MOSHPQCFSA-N 426.921 6.092 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3cc(OCc4cc(C)c(C)cc4C)cc(C)c3C2=O)c1 1871417076 AHKWCZFTMRRRFH-ZMFRSBBQSA-N 444.527 6.133 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCc4cccc5ccccc45)cc(C)c3C2=O)cc1 1871434556 PDLBBYDUICYREN-YUMHPJSZSA-N 436.507 6.742 30 10 IKEE C[C@@H](Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O)C(=O)Nc1nc2ccccc2s1 1871439858 PLPSZKCCMGCVAC-CQLSMYGBSA-N 448.525 5.380 30 10 IKEE CCN(CC)CCOc1cc(C)c2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 1871452002 YPHSHNHRGITVCZ-ITYLOYPMSA-N 427.544 5.999 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1Cl 1871456444 FSBZICZFMPYHSZ-KSEXSDGBSA-N 433.891 5.591 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1)S(=O)(=O)c1cccs1 1871764115 HDPOITUJAJEQAZ-QFIPXVFZSA-N 440.590 5.003 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(C)c(Cl)c1)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1871790107 QBMKBIZWANOZCW-QFIPXVFZSA-N 449.016 5.105 30 10 IKEE C=CCN([C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)C(C)C)S(=O)(=O)CCCC 1871838170 DDNXDNXDTUBMLQ-HSZRJFAPSA-N 444.597 5.060 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 1872252245 JORBZYWTFAXVHP-OAQYLSRUSA-N 434.989 5.023 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(Cl)cc1 1872513115 ITZSKAUMBQNUOV-QFIPXVFZSA-N 449.016 5.331 30 10 IKEE N#C[C@@H](C(=O)/C(=C\c1ccccc1)c1ccccc1)c1nc(-c2ccc(F)cc2F)cs1 1872767567 VGQBTHQMCQZTAD-YRUATGHUSA-N 442.490 6.505 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)Cc2c[nH]c3ccccc23)n1 1872777337 LICWJKNTXSEHRW-FQEVSTJZSA-N 443.572 6.016 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@H](C#N)C(=O)c2ccc(-n3cccc3)cc2)n1 1872780184 BWPJAWBHWVUGIX-OAQYLSRUSA-N 427.529 5.716 30 10 IKEE N#C[C@@H](C(=O)c1c(F)cccc1Cl)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872787159 CLTZPFHUWNRGMQ-NSHDSACASA-N 425.699 6.399 30 10 IKEE COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1OC 1872787203 DMKNLGCFQQGHQP-CQSZACIVSA-N 433.316 5.624 30 10 IKEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)Nc3ccc(F)c(F)c3)cc2[nH]1 1872806211 BOMVHDYENQESHB-UHFFFAOYSA-N 435.430 5.237 30 10 IKEE C=CCn1c(C(=O)Nc2cc(Cl)ccc2C)cc2c(NCc3ccc(F)cc3)ncnc21 1873611515 FADXCMRFMWZGHO-UHFFFAOYSA-N 449.917 5.583 30 10 IKEE CCCCC1CCC(c2nnc(SC)n2/N=C/c2ccc(Br)cc2)CC1 1874286296 YRNMGFCALBPJFR-HYARGMPZSA-N 435.435 6.109 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3ccccc3C)nnc2[C@H](C)c2ccccc2)c1 1874392339 JIBFDCLWOOQIBG-ADIMLFFHSA-N 426.589 6.221 30 10 IKEE CCOc1cccc(/C=N/n2c(Cc3cccs3)nnc2SCc2ccccc2)c1 1874412080 ARHKPAURTCDHFB-LFVJCYFKSA-N 434.590 5.504 30 10 IKEE Cc1ccc(CSc2nnc(C(C)(C)C)n2/N=C/c2ccc(Cl)c(Cl)c2)cc1 1874481316 RWDQFEZQMSEWNF-WYMPLXKRSA-N 433.408 6.365 30 10 IKEE CC(C)Cc1nnc(SCc2ccccc2Cl)n1/N=C/c1cn(C)c2ccccc12 1874489628 BHVCGYYTMBJCAG-DHRITJCHSA-N 438.000 5.796 30 10 IKEE C=CCSc1nnc(C2CCC2)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874496569 SYWQPBWPUJOJRF-MFKUBSTISA-N 438.984 5.938 30 10 IKEE COCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccc(C(C)C)cc1 1874502600 QFLQINGPFFOXFR-BHGWPJFGSA-N 449.407 6.029 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(Br)ccc2OCc2ccccc2C)c1 1874572228 BZEAOFPTLRCASO-ZRDIBKRKSA-N 437.333 6.241 30 10 IKEE C=C(C)COc1ccc(Br)cc1/C=C/C(=O)c1ccc(Oc2ccccc2)cc1 1874584987 HKAWNOCXGXAJOJ-GXDHUFHOSA-N 449.344 7.092 30 10 IKEE Cc1ccccc1NC(=O)COc1cccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)c1 1874599369 JPMHRLHUQJNUJO-BUHFOSPRSA-N 427.544 6.142 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc(F)c2)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 1874603919 LRXVBDVPKWTZTB-XYOKQWHBSA-N 431.463 6.088 30 10 IKEE COc1cccc(C(=O)/C=C/c2cc(OC)c(OCc3ccccc3Cl)c(OC)c2)c1 1874605674 ZNIDEKYANBAPBD-VAWYXSNFSA-N 438.907 5.841 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1Cl)NCc1ccccc1 1874612435 UWWJWYIYHMUGHE-PKNBQFBNSA-N 440.326 5.585 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OCC(=O)N(CC)CC 1874615908 CYYUMJBSNCAENK-JLHYYAGUSA-N 429.944 5.190 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1OCc1ccccc1F 1874625422 DJXNZVCJNTZOPE-KPKJPENVSA-N 439.414 5.747 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc(Oc2ccccc2)cc1 1874627048 JEJRYQZNNDDXJD-VXLYETTFSA-N 440.926 7.607 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1Cl 1874636618 JVYDFGHHEYYRAN-BJMVGYQFSA-N 426.871 5.971 30 10 IKEE CCOc1ccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3ccccc3)c2)cc1OC 1874700331 MYKYTOHZAXTFFZ-NTCAYCPXSA-N 430.500 5.528 30 10 IKEE Cc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3c(C)c(C)cc(C)c3C)c2)c(C)c1 1874711151 RKHCYYFFLXLMHG-VAWYXSNFSA-N 442.555 6.418 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccc(C)cc3)c2)cc1C 1874716762 IUUDEUXMJYYDPZ-ZRDIBKRKSA-N 444.527 5.673 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OC(=O)CC(C)C 1875088238 QYKLTCPNZAVVKQ-CMDGGOBGSA-N 431.872 5.495 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccs2)c([N+](=O)[O-])c1)c1ccc2ccccc2c1 1875095181 COXTZYQFUKEXCB-YRNVUSSQSA-N 429.453 5.925 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1 1875096736 CEZFUFCYUZXQPO-QGOAFFKASA-N 440.539 6.008 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)ccc1OC(=O)Cc1ccc(OC)cc1 1875101643 VHHOXMGOSICEKX-GXDHUFHOSA-N 446.499 5.147 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccccc3OC)cc2)cc1 1875105907 RWUNOUXBNBMAIY-XMHGGMMESA-N 444.527 5.918 30 10 IKEE CCc1ccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3OC)cc2)cc1 1875118224 RPZFOSNGBJWBNB-XMHGGMMESA-N 444.527 5.918 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC(=O)Cc1cc(C)ccc1C 1875122049 PDGOKHHHSCMDGN-PKNBQFBNSA-N 434.919 6.010 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)CCc1ccccc1 1875156781 HULQUTIMHFIGLR-CXUHLZMHSA-N 428.528 6.253 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)C2CCC2)c([N+](=O)[O-])c1 1875160552 CVJXVAZEVWWXLB-DHZHZOJOSA-N 437.492 5.503 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC3CCCCC3)c(Cl)c2)c(OC)c1 1875178749 ZWTVVIDRMVZSBW-XYOKQWHBSA-N 442.939 6.129 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)CSc1ccccc1 1875184404 BOYNAQXIMPUDOR-ZRDIBKRKSA-N 446.568 6.214 30 10 IKEE CC1(C)OB([C@]23C[C@H]2CCN(Cc2cccc(Cl)c2Br)C3)OC1(C)C 1879796581 VRKSKEVDUNKZRI-KUHUBIRLSA-N 426.591 5.161 30 10 IKEE COC(=O)Cc1cc(N=[N+]=[N-])cc(N(C)C(=O)OCC2c3ccccc3-c3ccccc32)c1 1887512062 YYPIUZBTVUZKQI-UHFFFAOYSA-N 442.475 5.729 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C1 1997228739 AEMXHQKUSXJAJV-UUOWRZLLSA-N 429.561 5.357 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1N(C(=O)OC(C)(C)C)CCSC1(C)C 2018257732 BBLMFDFDZOPLBL-VXKWHMMOSA-N 448.673 5.259 30 10 IKEE CCc1cccc(CC)c1N(C(C)=O)c1nc(C=C2COc3ccccc3C2=O)cs1 2040483620 CDUGZMACUNZMLE-UHFFFAOYSA-N 432.545 5.611 30 10 IKEE Cc1ccc([C@@H](n2nc(C(C)C)c(C#N)c2I)C2(C)CC2)cc1C 2079090060 JOFBIWBGGIAHOW-GOSISDBHSA-N 433.337 5.489 30 10 IKEE C=CCN(CC[C@@H](NCC)c1cc(Cl)cc(Br)c1)C(=O)OC(C)(C)C 2081565924 KUAMHOOZXFQOLF-QGZVFWFLSA-N 431.802 5.566 30 10 IKEE CC(C)(C)OC(=O)Nc1cc(NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)ccc1F 2094849677 RWMAVVHFSUPLGQ-UHFFFAOYSA-N 442.340 5.084 30 10 IKEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(Br)ccc(Cl)c1F 2098958909 LBTHRFQCEMJITI-PBHICJAKSA-N 447.776 5.199 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H](Nc2ccc(C#N)c(Br)c2F)CC1 2133523291 BIHIKESBYSXDRW-KBPBESRZSA-N 426.330 5.098 30 10 IKEE C=CC1(CNCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCCCC1 2134729844 LERBCUMAGXOCKT-UHFFFAOYSA-N 441.615 7.071 30 10 IKEE CCCC#CC[C@@H](NCCC)c1cc(Br)ccc1I 2138964754 ZIZDGUDVWWCEQO-MRXNPFEDSA-N 434.159 5.288 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1cccc2c1CCC2 2156043025 CXTSECGTFFQBOW-HXUWFJFHSA-N 427.342 5.944 30 10 IKEE C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNc2cc(Br)cc(C#N)c2)cc1 2162321072 RKWRDRGBZAMXJY-AWEZNQCLSA-N 430.346 5.519 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H](Nc2cc(Br)ccc2C#N)Cc2ccccc21 2162387114 JPGZDWPSSFKVSS-KRWDZBQOSA-N 428.330 5.099 30 10 IKEE CC(C)(C)OC(=O)Nc1c(F)cccc1C(=O)Nc1ccc(C#N)cc1Br 2181140596 CEMSXFLELQIJHV-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C 2235716681 GXIMMOGVFJOWST-RBUKOAKNSA-N 437.422 5.108 30 10 IKEE CCCCCCC[C@@H](NCCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2256705304 YTJNTYPNPJOUCN-XMMPIXPASA-N 446.676 6.169 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)CC1 2259675251 JJNSVTAHNMPQOQ-DEOSSOPVSA-N 447.551 5.641 30 10 IKEE C=CCCC1([C@@H](N)c2c(F)cc(C)cc2Br)CN(C(=O)OC(C)(C)C)C1 2266311286 YJZUXEHSHSYXBG-KRWDZBQOSA-N 427.358 5.100 30 10 IKEE CC1(C)OB(c2csc(C(=O)Nc3c(Cl)cc(Cl)cc3Cl)c2)OC1(C)C 2282619180 QOGUQNJHVLOOIU-UHFFFAOYSA-N 432.565 5.260 30 10 IKEE CCOc1cc(C=C2SC(=NCc3ccccc3)N(Cc3ccccc3)C2=O)ccc1O 2297305265 BKSBJZRIXRIOKB-UHFFFAOYSA-N 444.556 5.464 30 10 IKEE COc1ccc(N=C2SC(=Cc3ccc(OCc4ccc(F)cc4)cc3)C(=O)N2C)cc1 2297462865 VCUUGNMDCWTESF-UHFFFAOYSA-N 448.519 5.647 30 10 IKEE COc1ccc(C=C2Oc3c(ccc4c3[C@H](c3ccc5ncccc5c3)CC(=O)O4)C2=O)cc1 2297595872 PQALWAMMDDOMKX-NRFANRHFSA-N 449.462 5.301 30 10 IKEE CC[C@]1(C)N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2300008227 SCRZKBNEQXJRJU-ZEQRLZLVSA-N 435.609 5.628 30 10 IKEE CCN[C@H](C#Cc1nc(CC)cs1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2300949080 HSFOLDMNDZPWOH-QFIPXVFZSA-N 441.641 5.253 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@H](C#N)C12CC(CCN1C(=O)OC(C)(C)C)C2 2302508263 CKDWSOUWJCZZDS-HRZDDSQGSA-N 447.601 5.167 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)C1(NC(=O)OC(C)(C)C)CCCC1 2302600183 BXHHNMFSWXMLIZ-IBGZPJMESA-N 429.561 5.466 30 10 IKEE CCOc1ccc(N=C2NC(=O)C(=Cc3ccc(Sc4ccc(C)cc4)o3)S2)cc1 2313559984 DUXSGSNEYCRGCW-UHFFFAOYSA-N 436.558 6.030 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2321351080 HCOWLAKOCDKXMP-RBUKOAKNSA-N 445.535 5.249 30 10 IKEE CCn1cc(C=C2Oc3cc(OCc4cccc(F)c4)ccc3C2=O)c2cc(OC)ccc21 2321888532 ODJIGUJPGVLALU-UHFFFAOYSA-N 443.474 6.004 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(C(C)C)cc1)O3)CN([C@H](C)c1ccccc1)CO2 2322092517 DFEJUGWXLJZEND-HXUWFJFHSA-N 439.555 6.648 30 10 IKEE C=CCOc1ccc(Br)cc1C=CC(=O)c1cc(Cl)c(OC)c(Cl)c1 2322969213 SZOSGAOFXDCJJB-UHFFFAOYSA-N 442.136 6.225 30 10 IKEE Cc1cc(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc2c1C(=O)C(=Cc1cccs1)O2 2323231646 XWPZWRZSHXRWOV-UHFFFAOYSA-N 441.848 5.454 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)cc1 2323536522 GZBZJRUCCKEVNA-UHFFFAOYSA-N 441.571 6.560 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc3C2=O)cc1 2323813107 YRXLAOHEYUNPCO-UHFFFAOYSA-N 428.484 5.872 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCCc1ccccc1 2323890028 ZRNMUGZIOVFWGT-UHFFFAOYSA-N 441.354 6.910 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2)c(Br)c1)c1cccc2ccccc12 2324133040 DZQYKWCUPYKLHN-UHFFFAOYSA-N 443.340 7.077 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc(OCCCCOc4ccccc4)c3C)C2=O)cc1 2324584918 SSUHVVAZRUSAKB-UHFFFAOYSA-N 444.527 6.248 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3cccc(Cl)c3)n2)cc1Cl 2324807215 NUVPEPYHIKJNRK-INIZCTEOSA-N 429.328 6.015 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccc(C)cc3C)ccc2C1=O 2324883077 ZHKLLPHWNLKBGB-UHFFFAOYSA-N 443.499 5.336 30 10 IKEE CC(=O)c1cccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2cccc(C)c2)C3=O)c1 2325384742 AJDPTXDODJIQMJ-UHFFFAOYSA-N 441.483 5.140 30 10 IKEE CCCCOc1ccc(C=Nn2c(CCCC)nnc2SCc2ccccc2F)cc1 2325521926 FLLPIEVAOAGGFC-UHFFFAOYSA-N 440.588 6.113 30 10 IKEE CCCCCOc1ccc(C=Nn2c(CC)nnc2SCc2cccc(Cl)c2)cc1 2325610413 GAKRPQMJNNORCX-UHFFFAOYSA-N 443.016 6.237 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(Cl)c1OC(=O)c1ccco1 2325701399 CHSPDHOJWKXHIE-UHFFFAOYSA-N 436.891 5.936 30 10 IKEE CCc1ccc(C(=O)Oc2cc(C=CC(=O)c3ccc(OC)c(OC)c3)ccc2OC)cc1 2325703082 OJHYKRFYWTUMTB-UHFFFAOYSA-N 446.499 5.390 30 10 IKEE Cc1c(OCC(=O)Nc2ccccc2Cl)ccc2c1OC(=Cc1ccccc1F)C2=O 2325718169 PSSHFWQCDYGKIJ-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(OC)cc4)cc(C)c3C2=O)cc1 2325732127 XSSBBZPQNLOFRA-UHFFFAOYSA-N 443.499 5.200 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1C 2325738461 LKWDVVNGSSNUDK-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE CCCSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1cccc(OC)c1 2325961318 GIWVOWGSEICRHQ-UHFFFAOYSA-N 445.386 5.024 30 10 IKEE Cc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1c(O)ccc2ccccc12 2326320785 JIGWZLSTDCUGFY-UHFFFAOYSA-N 430.577 5.917 30 10 IKEE CCCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccc(N(C)C)cc1 2326542347 UJEGJJLSWBUQPO-UHFFFAOYSA-N 444.004 5.269 30 10 IKEE Clc1ccc(CSc2nncn2N=Cc2cccc(Cl)c2Cl)c(Cl)c1 2326697703 GAZMAPVSOVYVIN-UHFFFAOYSA-N 432.163 6.066 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccccc3)n2N=Cc2cccc(C)c2)CC1 2328156070 PPGDYCQDHUVLKE-UHFFFAOYSA-N 446.664 7.225 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc[nH]1 2328549646 ZLRVRIMBNJKKQY-UHFFFAOYSA-N 435.528 5.116 30 10 IKEE C=C(C)CSc1nnc(CCOc2ccccc2)n1N=Cc1ccccc1OCCC 2329189901 YBUZCRJQFLWQLI-UHFFFAOYSA-N 436.581 5.239 30 10 IKEE C=CCSc1nnc(-c2ccccc2Cl)n1N=Cc1cc(Cl)c(O)c(OC)c1 2329588138 KYRUCVXHKFWIAO-UHFFFAOYSA-N 435.336 5.126 30 10 IKEE Cc1ccc(CSc2nnc(CCc3cccs3)n2N=Cc2cccc(C)c2)cc1 2329625800 MGNGLSJMWCEELF-UHFFFAOYSA-N 432.618 5.916 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SC)nnc2-c2cccs2)cc1OCC 2330522073 BBLWROFPPHZYBA-UHFFFAOYSA-N 430.599 5.578 30 10 IKEE Fc1cccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2-c2cccs2)c1 2330600230 JRGYHSUVRUDMOO-UHFFFAOYSA-N 428.945 5.974 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3Cl)c([N+](=O)[O-])c2)cc1 2330749799 IZHUIGCRQWYNPT-UHFFFAOYSA-N 449.890 5.855 30 10 IKEE Cc1ccc(CSc2nnc([C@H]3CCCO3)n2N=Cc2ccc(C(F)(F)F)cc2)cc1 2330886068 JPFHIYMBECYTSK-LJQANCHMSA-N 446.498 5.631 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SCCC)nnc2[C@H]2CCCO2)cc1OCC 2330976832 GWOSLUOQKNCUHN-HXUWFJFHSA-N 446.617 5.482 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)Cc2ccc(C)c(C)c2)c([N+](=O)[O-])c1 2331066085 NIRLKKPXYGLDGV-UHFFFAOYSA-N 445.471 5.264 30 10 IKEE Oc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CCCC2)c(O)c1 2331085464 PCVJSINYWWNLAA-UHFFFAOYSA-N 444.560 5.675 30 10 IKEE Fc1ccccc1CSc1nnc(C(F)(F)F)n1N=Cc1ccc(Cl)c(Cl)c1 2331136458 GZLZAMLKLVVOTM-UHFFFAOYSA-N 449.260 5.917 30 10 IKEE Cn1cc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C(F)(F)F)c2ccccc21 2331150539 ROQCCQDQFJYKAJ-UHFFFAOYSA-N 449.889 5.617 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3)cc2Cl)CC1 2331266206 YGHUNXIBELYMHS-UHFFFAOYSA-N 438.995 7.447 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3cccc(C)c3C)cc2)cc1 2331294379 QPLSMXOYQPSFKP-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CSc3ccccc3)cc2)cc1 2331295817 HTWAYRZVMYMNJG-UHFFFAOYSA-N 432.541 6.069 30 10 IKEE Cc1cccc(C=Nn2c(CC(C)C)nnc2SCC(=O)Nc2c(C)cccc2C)c1 2331449425 ZXQLIGQKECNTHG-UHFFFAOYSA-N 435.597 5.015 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2)cc1OC 2331489338 STYUBPPORLXBTJ-UHFFFAOYSA-N 444.527 5.871 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OC(=O)Cc1ccc(C)c(C)c1 2331569450 APZMTLVOQHBELM-UHFFFAOYSA-N 436.454 5.634 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)ccc1OC(=O)CC(C)C 2331597051 QXHXVDXYLFKPQV-UHFFFAOYSA-N 444.527 6.725 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(C3CC3)n2N=Cc2cccc3ccccc23)cc1 2331734314 KYSYUVOSANOLAD-UHFFFAOYSA-N 429.505 5.391 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)ccc1OC(=O)c1cccs1 2331753162 BGEINLKPYFAFOS-UHFFFAOYSA-N 442.920 5.842 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)Cc1ccc(C)c(C)c1 2331779940 FVVCJMVYVAOHIX-UHFFFAOYSA-N 442.555 6.282 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)CCc2ccccc2)cc1 2331786967 KSTLKDKZPYUVPB-UHFFFAOYSA-N 426.556 6.727 30 10 IKEE C=CC[C@@H](Oc1ncc(Br)c2ccsc12)[C@@H]1CCN1C(=O)OC(C)(C)C 2335889849 ZJDVKZYNJVTBBC-LSDHHAIUSA-N 439.375 5.392 30 10 IKEE N#Cc1ccc(Br)cc1OCc1cc(Br)cc(Br)c1 2337072699 MHOJAKCQOIPFSV-UHFFFAOYSA-N 445.936 5.425 30 10 IKEE C[C@@H]1CN(Cc2ccccc2)C[C@]1(C)CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2365102911 HDRZGRKEGBKAGN-YDCXPLIWSA-N 447.432 5.296 30 10 IKEE COc1ccc(/C=C2/Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc3C2=O)cc1 1913492 UFJCBLHJHZPKRF-BUVRLJJBSA-N 428.484 5.828 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)c3ccccc3)ccc1N[C@@H]2c1cccc(O)c1 9861372 CHZDRLCOEPDHMX-AREMUKBSSA-N 438.527 5.845 30 10 IKEE Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)Nc3ccc(Cl)cc3)cc(C)c2c1 12241546 CZDXCDBTRWDPMK-UHFFFAOYSA-N 430.899 5.515 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)S/C1=N\c1ccc(C(=O)O)c(O)c1 16928087 HBRMMDHRAATCNS-HOLMJYLXSA-N 437.304 5.021 30 10 IKEE Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 21246924 HSIVORLPUNALDS-KPURRNSFSA-N 436.599 7.272 30 10 IKEE Cc1cc(SCCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)ncn1 40171300 LTRPHFLIZISZDI-UHFFFAOYSA-N 440.528 5.705 30 10 IKEE C=CCN(CC=C)c1nc(Cl)nc2sc(C)c(-c3ccc(Br)cc3)c12 40702530 OPFZNWQZXJQYSY-UHFFFAOYSA-N 434.790 6.261 30 10 IKEE CCCCCCCCCCCCCC[C@H](CCC)c1cccc(C(=O)/C=C/C(=O)O)c1 43617538 OLTDVZPGSDCOGR-JVAQPQQASA-N 428.657 8.485 30 10 IKEE N#Cc1c(-c2ccccc2)cc(N2CCN(Cc3ccccc3)CC2)n2c1nc1ccccc12 47163473 ZANXUUIUAIFILB-UHFFFAOYSA-N 443.554 5.348 30 10 IKEE CCCCCCN(CCCCCC)CN1C(=O)/C(=N\c2ccc(C)cc2)c2ccccc21 59377241 GQZFUNDQRVDGDZ-OHYPFYFLSA-N 433.640 6.883 30 10 IKEE COc1ccc(/N=C2\NC(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)S2)cc1 59433568 FKVRRMCOCJMSAB-FYJGNVAPSA-N 437.952 5.648 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OC(=O)Cc4cccs4)cc(C)c3C2=O)cc1 62926579 JQLXOYWTCNJXNG-UCQKPKSFSA-N 447.556 5.667 30 10 IKEE CCCCCCCOc1ccc([C@@]2(C)Nc3ccccc3C(=O)N2Cc2ccco2)cc1 100141551 MFCBDUFPBHJBLQ-MHZLTWQESA-N 432.564 6.570 30 10 IKEE CCN1C(=O)C[C@H](C(=O)Nc2ccc(C)c(Cl)c2)S/C1=N\c1cccc(Cl)c1 100195812 BRQPBGDHMMMNGS-BJUXRVGASA-N 436.364 5.282 30 10 IKEE O=C(C[C@H]1S/C(=N/c2ccccc2)N(CCCc2ccccc2)C1=O)Nc1ccccc1 101656444 PWLSRAYGEUZYSE-ZKZPFDSASA-N 443.572 5.280 30 10 IKEE CCCCCCCCCOc1ccc(/C=C2\CN(CC)CCC2=O)cc1Br 169941855 CZBRAGBZTXXELI-CAPFRKAQSA-N 436.434 6.257 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)ccc2O)c1 169970932 XGSJCHFKAJGWQO-QFIPXVFZSA-N 433.891 5.445 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2cc(F)ccc2F)c1 169971640 LQHQOUVUFSKOEZ-QHCPKHFHSA-N 433.454 5.673 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccs2)cc1 169988642 NDUKVYDBJUPXLD-JOCHJYFZSA-N 445.496 5.281 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccncc2)c1 170025555 YBXRFXFMOBYZQY-QFIPXVFZSA-N 432.907 5.130 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@@H]1c1ccccc1)c1c[nH]c2ccccc12 170050280 AIVMBEJFNBKZIJ-JOCHJYFZSA-N 446.865 5.743 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@@H]1c1ccc(F)cc1 170061412 UQKANCNAOSKPMH-XMMPIXPASA-N 445.490 5.542 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccc(F)cc2)c(C)c1 170062316 NEESISRJPCZXIB-XMMPIXPASA-N 445.490 5.542 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccccc2C)c1 170086236 ONPUYBCXSBGDLB-JOCHJYFZSA-N 433.891 5.440 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)(C)C)c2)[C@@H]1c1cccs1 170164859 DANIERCWRWQXHC-NRFANRHFSA-N 441.593 5.823 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccn2)cc1C(C)C 170174302 HIQKMKFNNLPDKK-DEOSSOPVSA-N 442.515 5.305 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1ccccn1)c1ccc2ccccc2c1 170176698 AXCXSYNVSRGXBH-HSZRJFAPSA-N 442.421 5.296 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1cccnc1 170191196 JZLNJPLZWCXSHX-DEOSSOPVSA-N 442.515 5.208 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@@H]1c1ccc(OCCC)cc1 170215449 CGXJTTWKZQAGKE-DEOSSOPVSA-N 449.547 5.179 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2)cc1C(C)C 170226067 GPLHBRXTADEPME-VWLOTQADSA-N 441.527 5.992 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccc2)c1 170228843 VTMIHIUCVYVRDO-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccco1)c1ccc2ccccc2c1 170296187 NVIYTMVLBPMHQE-QHCPKHFHSA-N 427.431 5.350 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccco2)ccc1OC(C)C 170296197 NULBTOWIZRKTGH-HSZRJFAPSA-N 449.478 5.293 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(C)o2)cc1 170303945 MSDSPDHHTFYWFL-QMHKHESXSA-N 429.472 5.003 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(C)o2)cc1C 170311324 ADSXDELYYWSVKP-HSZRJFAPSA-N 449.478 5.213 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc(OCC(C)C)cc2)=C(O)C(=O)N1c1ccccc1 170314937 CVNPBHUNKBPHCI-JOCHJYFZSA-N 447.556 5.874 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1Cc1cccnc1 170316944 ZEFBQGJOLPVHOG-OAQYLSRUSA-N 448.544 5.017 30 10 IKEE N#Cc1c(NC(=O)/C=C\c2ccc3c(c2)OCCO3)oc(-c2ccccc2)c1-c1ccccc1 170522145 QOQBIGUAQBTSSK-OWBHPGMISA-N 448.478 5.908 30 10 IKEE N#Cc1ccccc1-c1ccccc1C(=O)ON=C1C(=O)c2ccccc2-c2ccccc21 252615832 JVRBOXDBWSYVGC-UHFFFAOYSA-N 428.447 5.650 30 10 IKEE C#CCN(C[C@H](NCCC)c1c(Cl)cccc1Br)C(=O)OC(C)(C)C 407164123 OTNGXTQUORSJLS-INIZCTEOSA-N 429.786 5.014 30 10 IKEE N#CCc1c(C(F)(F)F)ccnc1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 514261410 PRKWYFPWSMPVSO-UHFFFAOYSA-N 434.459 7.100 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2c(C)n(C)c3ccccc23)cc1 526604551 OVGGUCZOTXGIEA-AREMUKBSSA-N 449.510 5.424 30 10 IKEE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(Cl)cc2)c1 526607455 QSFFKPDIBAJRRA-HSZRJFAPSA-N 446.890 5.286 30 10 IKEE Cc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1c(Cl)cccc1Cl 526806149 WKGIFZOTNSGKKL-MSXFZWOLSA-N 433.408 6.365 30 10 IKEE CC1=C/C(=N\OC(=O)c2ccccc2C)C(C(C)C)=C/C1=N\OC(=O)c1ccccc1C 685939177 RVDOYTGDLALRSV-LMCGJEQXSA-N 430.504 5.572 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@@H]1CCCN1C(=O)OC(C)(C)C 698371968 GDHVTNMDUKLNMG-YADARESESA-N 445.560 5.118 30 10 IKEE CCCCCCCCC[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 698459374 WPDPLRAUOHEPRM-SFHVURJKSA-N 437.422 7.223 30 10 IKEE C[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Br)c2ccccc21 698481785 KHCUAJJZWGAAKV-NYHFZMIOSA-N 427.342 6.117 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@@]1(C#N)CCc2c(Br)cccc21 698900020 FMHNIENBKACLMQ-OAQYLSRUSA-N 447.760 6.209 30 10 IKEE CCCCCCCC[C@H](NCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 707885159 HXGUIGPWBKWFSW-OEMFJLHTSA-N 434.665 6.214 30 10 IKEE COc1cc(C=NNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1Cl 1083944846 GTTVBTMZHRGZEK-UHFFFAOYSA-N 446.290 5.935 30 10 IKEE O=[N+]([O-])c1ccc(Oc2cccc(C=NNc3nc4ccccc4s3)c2)c([N+](=O)[O-])c1 1084206963 HDCJWEHABPPKOL-UHFFFAOYSA-N 435.421 5.351 30 10 IKEE Sc1nc2ccc(N=Cc3ccc(Sc4nc5ccccc5s4)o3)cc2s1 1084489520 NZAMMZNWQQTHLE-UHFFFAOYSA-N 425.585 6.690 30 10 IKEE Cc1ccccc1/N=C1/c2ccccc2C2=NC(=O)N[C@](c3ccccc3)(C(F)(F)F)N21 1616017010 QGYNENHHFQBMHD-HZONWBDVSA-N 434.421 5.274 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3ccccc3)o2)SC1=Nc1nc2ccccc2s1 1772725105 WBGXWLGSMCDBHF-LLLXPECQSA-N 443.553 6.346 30 10 IKEE O=C1/C(=C\c2ccc(Br)cc2)SC(=Nc2ccccn2)N1c1ccccc1 1772731553 NSJOBJDSVPAHJP-UQIYEGRLSA-N 436.334 5.653 30 10 IKEE Cc1ccccc1/C=C1\SC(=NN=Cc2ccc(N(C)C)cc2)N(Cc2ccco2)C1=O 1772759148 MJHMVHFIVFHDLO-DGRCWVCVSA-N 444.560 5.161 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(CCc2ccccc2)n(-c2ccc(Cl)c(Cl)c2)n1 1862310628 RGBQYXLDBPOWBD-UHFFFAOYSA-N 440.374 5.779 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2C2CCCCCC2)c1 1862401674 GPAZWDQCAMWUME-DEOSSOPVSA-N 449.547 5.313 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(Cl)c(Cl)c1 1862417465 ZXSPSVKHXUXUHI-QGZVFWFLSA-N 426.246 5.260 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCCOC(C)C)cc1 1862488621 DVKOAOUMSVMQEB-XMMPIXPASA-N 435.564 5.259 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CC2)cc1OC 1862499330 DVLDSWWGYVOUFG-DEOSSOPVSA-N 449.547 5.232 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cccc(F)c1 1862501461 CTARAKQBGXDURM-NZQKXSOJSA-N 441.518 6.210 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccccc2Cl)cc1 1862535155 AQFCNRHMCBNUIX-POCHDABASA-N 437.967 6.059 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccccc2Cl)cc1 1862535476 CWAVHXRFLRSPDE-OSPHWJPCSA-N 445.946 6.242 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(F)cc1F 1862545555 CODZKWXGZFWFHZ-QHCPKHFHSA-N 439.502 5.468 30 10 IKEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1cccc(C)c1 1862613969 UMGWSMIWGGXHBI-XMMPIXPASA-N 448.607 5.213 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(N(C)C)cc2)cc1 1862664200 GKRJDIOUSVHEHM-DEOSSOPVSA-N 444.531 5.248 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@@H]1c1ccc(F)cc1F)c1ccc(F)cc1 1862675216 FAOHGMJOEQMVRN-JOCHJYFZSA-N 443.465 5.795 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1c(Cl)cccc1Cl 1862682236 HGQGZWCXXRYNKF-LJQANCHMSA-N 436.310 5.901 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccccc2Cl)c1 1862700426 FVQDPDMKCDRAEA-HSZRJFAPSA-N 447.918 5.170 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1c(Cl)cccc1Cl 1862717039 VHPRBMYMXKDXIU-HXUWFJFHSA-N 426.299 5.745 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc2c(c1)CCCN2C 1862722141 WGYOYDRZMOUQND-VWLOTQADSA-N 440.543 5.209 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 1862751836 REIWMAOHLMTLEQ-NRFANRHFSA-N 448.862 5.027 30 10 IKEE CCCCc1ccc(NC2=C(c3ccc(C)c(C)c3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862884980 GLEBCZYMNXHGPW-UHFFFAOYSA-N 449.554 5.914 30 10 IKEE C[C@H](c1ccccc1)N1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(Cl)cc2)C1=O 1863179787 GQKZBMIRXJIEHF-MRXNPFEDSA-N 427.891 5.165 30 10 IKEE CC(C)CCN1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863284744 XNCCXNNECNBOGN-UHFFFAOYSA-N 428.319 5.103 30 10 IKEE Cc1ccccc1-c1nc(Nc2cccc(C#N)c2)cc(N2CCO[C@H](c3cccnc3)C2)n1 1868292448 ANNPBFNBPQVPPV-DEOSSOPVSA-N 448.530 5.040 30 10 IKEE C=CCN(CC=C)c1cc(N2CC[C@H](c3ccco3)C2)nc(-c2ccc(C(C)(C)C)cc2)n1 1869354795 TWSJLWAOKOHTHB-QFIPXVFZSA-N 442.607 6.206 30 10 IKEE C=CCn1cc(OCCCOc2ccc(C)cc2)c(=O)cc1CSCc1ccccc1 1870220380 ZEKBYCJOHOUSFE-UHFFFAOYSA-N 435.589 5.624 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccccc2Cl)cn1Cc1ccc(C)cc1 1870341724 LDFRORWLWWOSIX-UHFFFAOYSA-N 448.994 5.611 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2)c(CN2CCc3ccccc3C2)cc1=O 1870410784 FTABCMRQYZXSPP-UHFFFAOYSA-N 444.619 5.804 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2c(C)cccc2C)cn1Cc1ccc(C)cc1 1870491046 LLYDXIUKOIDBFI-UHFFFAOYSA-N 442.603 5.575 30 10 IKEE CCCCCCCCn1cc(OCCc2ccccc2)c(=O)cc1CNc1cccc(C)c1 1871143032 RXZQDJDFBQCHCV-UHFFFAOYSA-N 446.635 6.751 30 10 IKEE CCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(F)c(Cl)c1 1871250913 CNUWDCYGICTOBK-UHFFFAOYSA-N 439.918 5.504 30 10 IKEE O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(COc2ccc(F)cc2)o1 1871279720 IHSJDQSGNNPFRO-UHFFFAOYSA-N 447.306 6.288 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O)c1ccc(-n2cccc2)cc1 1871383987 JUSRWYZUMIYSHV-IWIPYMOSSA-N 441.870 5.966 30 10 IKEE Cc1cc(OC(=O)CCc2ccccc2)cc2c1C(=O)/C(=C/c1c(F)cccc1Cl)O2 1871385621 CXYOWQNRGQHOMA-HMAPJEAMSA-N 436.866 5.942 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871389293 OJNNMEYVLALZEL-UCQKPKSFSA-N 442.467 5.454 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3c(ccc(O)c3CN(CCO)Cc3ccccc3)C2=O)cc1 1871393803 LHFOGEVQMYXZSZ-QQXSKIMKSA-N 443.543 5.126 30 10 IKEE Cc1cccc(/C=C2\Oc3c(CN4C[C@@]5(C)C[C@H]4CC(C)(C)C5)c(O)cc(C)c3C2=O)c1 1871394312 PPCDIUYAQTTXCJ-LYWBRZNZSA-N 431.576 6.026 30 10 IKEE Cc1cccc(OCCOc2ccc3c(c2)O/C(=C\c2ccc(-c4ccccc4)cc2)C3=O)c1 1871405973 FHIIYABHNJDWNV-CEUNXORHSA-N 448.518 6.736 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C(C)=O)cc4)ccc3C2=O)cc1 1871422613 USCQJFTYANPLHQ-QFEZKATASA-N 441.483 5.085 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O 1871459177 VFNPNUHOKQPOCH-QRVIBDJDSA-N 433.891 5.536 30 10 IKEE CCCCCCCCCCN=c1nc(Nc2ccc(O)cc2)[nH]c(N(C)CCCC)n1 1871719063 VPDNHILLFBQCGQ-UHFFFAOYSA-N 428.625 5.532 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)c(C)c1 1871895416 SHLYPZCOBFAMBV-DEOSSOPVSA-N 442.625 5.294 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1cc(C)ccc1C 1871992211 WEYBRUNQYGUDSC-HSZRJFAPSA-N 442.625 5.294 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1 1872497115 RXFDOMJPVDNMFY-OAQYLSRUSA-N 434.989 5.023 30 10 IKEE C=CCN([C@@H](CC(C)C)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(Cl)cc1 1872546676 GENVTXIEOOJYMI-QFIPXVFZSA-N 449.016 5.187 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(Cl)cc1 1872554295 GEPPNNIODZGKTI-QFIPXVFZSA-N 449.016 5.331 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(OC)c(OC)c3)n2)cc1 1872762060 CBMKCJJHPSRCLY-FQEVSTJZSA-N 434.561 5.589 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1 1872770514 WSPOUCKSVLWZTB-KRWDZBQOSA-N 441.896 5.651 30 10 IKEE CCOc1ccc(CCC(=O)[C@H](C#N)c2nc(-c3cc(C)ccc3C)cs2)cc1OC 1872772349 NLFNKXTTYXRVSY-FQEVSTJZSA-N 434.561 5.643 30 10 IKEE CC(C)c1ccc(O[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 1872772838 IGRRPPDPFJNVFR-OXJNMPFZSA-N 448.544 5.348 30 10 IKEE COc1c(Cl)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)c2ccc(Cl)cc2)n1 1872778781 UEQBGOXNJMFRTC-AWEZNQCLSA-N 437.735 6.269 30 10 IKEE CCCn1c(SCc2ccc(C(=O)Nc3ccccc3C#N)cc2)nc2ccccc21 1872894888 RKZFKOVGTRENKS-UHFFFAOYSA-N 426.545 5.863 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2)C(=O)N([C@@H](C)c2ccccc2)C1=O 1873159471 WEVYBYKAXJRVLB-QFIPXVFZSA-N 432.608 6.258 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2cccc(F)c2)=C(c2ccccc2C)C1=O 1873303175 RFXHYMSYUIYPJA-UHFFFAOYSA-N 436.571 6.467 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2Cl)n1/N=C/c1c[nH]c2ccccc12 1874279036 PRHPIVJBLSOLFU-VULFUBBASA-N 435.984 5.748 30 10 IKEE CCCSc1nnc(CCc2cccs2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874372278 QQIVRWKPZHDEHO-CIAFOILYSA-N 425.410 5.816 30 10 IKEE CCCSc1nnc(Cc2ccccc2F)n1/N=C/c1ccc(Br)cc1 1874376855 RUOZJZGCQHAVOH-LPYMAVHISA-N 433.350 5.155 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCCc2ccccc2)n1/N=C/c1cccc(Cl)c1 1874399828 CZTBJYNAYXXPGA-RTMGKINMSA-N 447.007 6.300 30 10 IKEE CC(C)(C)Cc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(O)c(O)c1 1874442032 QILOQHPJPPZYJJ-BHGWPJFGSA-N 448.951 5.245 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccco3)n2/N=C/c2ccc(C(=O)O)cc2)c1 1874467158 UNTPNOGJLDFDMF-ZMOGYAJESA-N 432.505 5.028 30 10 IKEE CCCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccccc1C 1874479346 WNXIOSFSBRNWDK-ZMOGYAJESA-N 433.408 6.410 30 10 IKEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(C)cc3)nnc2C(C)(C)C)cc1 1874483871 SAEMQSWXCLKDLL-MFKUBSTISA-N 435.597 5.059 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1cccc(Cl)c1 1874511054 IKLFBRBNQTXCLY-FOKLQQMPSA-N 439.799 6.365 30 10 IKEE Cc1ccccc1COc1ccc(/C=N/n2c(S)nnc2[C@H](C)c2ccccc2)cc1 1874561061 CAIVPWOWJIQNRO-DZTFFZQKSA-N 428.561 5.488 30 10 IKEE COc1cccc(C(=O)/C=C/c2c(OCC(=O)NCc3ccco3)ccc3ccccc23)c1 1874572452 OBLLQYDJTXYJEO-OUKQBFOZSA-N 441.483 5.033 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2cccc(C)c2C)cc1 1874572497 QFADZDKRJSUYPV-WUKNDPDISA-N 443.543 5.788 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccccc2Cl)c1OCc1ccc(Cl)cc1Cl 1874574747 DAMHNZWBLYOXRZ-ZRDIBKRKSA-N 447.745 7.131 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccccc2Cl)c1OCc1cccc(F)c1 1874575014 QJYXMHLIUVOPMM-MDZDMXLPSA-N 431.290 6.616 30 10 IKEE Cc1cc(C(=O)/C=C/c2cc(Cl)ccc2OCc2nc(O)c3ccccc3n2)ccc1F 1874581230 CLHSFEJFYHBWFU-JXMROGBWSA-N 448.881 5.911 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(F)c(C)c2)c1OCC(=O)Nc1cc(C)ccc1C 1874581558 SWRPDUKMOCKGMB-ACCUITESSA-N 447.506 5.673 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cc(Cl)ccc1OCc1cccc(F)c1 1874592718 YFONQQFCBHPNFM-VMPITWQZSA-N 431.290 6.616 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3Cl)c([N+](=O)[O-])c2)cc1C 1874607181 VIOSDVKGNMZXGN-JXMROGBWSA-N 437.879 6.040 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OCc1cccc2ccccc12 1874608620 YHXJHMRIXRCMDA-JQIJEIRASA-N 442.942 7.367 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(OC)c1OCc1ccccc1C 1874623445 DCLCLCXUJDLGLS-FOCLMDBBSA-N 438.523 6.641 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)c2)cc1 1874697962 TVGCCDLYKIRNRY-GPGPQOAVSA-N 444.527 6.088 30 10 IKEE Cc1cc(OCCCC(=O)Oc2cccc(/C=C/C(=O)c3ccccc3)c2)cc(C)c1Cl 1874700494 WNLFURZUECMPQZ-BUHFOSPRSA-N 448.946 6.618 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OC(=O)C12CC3CC(CC(C3)C1)C2 1874704148 YWACWAQHHKKMIR-XVNBXDOJSA-N 448.534 6.161 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OC(=O)Cc1cccc2ccccc12 1874709882 MRSHQNLVPIFMRR-OQLLNIDSSA-N 440.470 6.032 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3sccc3C)c2)cc1C 1874717695 JHLHYTPMVATGQN-SOFGYWHQSA-N 436.529 5.806 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1ccccc1F 1875098130 UJUZRTNOQOPABS-RVDMUPIBSA-N 444.502 6.219 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2Cl)cc1)c1cccc(Br)c1 1875114063 BQINUXYUVHAJCL-JLHYYAGUSA-N 441.708 6.218 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)Cc1cccs1 1875140984 HVYUDBHMPOEFPX-VMPITWQZSA-N 444.911 5.902 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)c1ccccc1 1875156860 MJTZYOLZBGSBHW-XNTDXEJSSA-N 448.946 6.977 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)ccc1OC(=O)C1CCC1 1875187632 FEBYYRAAUIUKFI-VQHVLOKHSA-N 449.330 6.002 30 10 IKEE C=CC[C@@H](C)[C@H](NC)c1sc(Br)c(Br)c1Br 1903133307 OETOYDLKYQHFBF-MUWHJKNJSA-N 432.019 5.508 30 10 IKEE Cc1cc(Br)c(F)c([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)c1 1927537446 GCHDDPRRSWHFLF-KRWDZBQOSA-N 437.284 6.042 30 10 IKEE CC(C)(C)OC(=O)N(C1CC1)[C@@H](C#N)c1scc(Br)c1Br 1930758751 NOVHCLIKMATQOR-JTQLQIEISA-N 436.169 5.237 30 10 IKEE N#Cc1ccc(NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)cc1Cl 1959289957 PIXNGICHTUXQFY-UHFFFAOYSA-N 447.922 5.484 30 10 IKEE CC(C)(C)OC(=O)N1CCC(C[C@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)CC1 2000206010 RUDNYBBLWLETHE-GOSISDBHSA-N 449.617 5.415 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CC[C@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C1 2001949390 GBXZDSHUUMTQGV-IPRDPGLQSA-N 435.609 5.484 30 10 IKEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@H]1CCc2cc(NC(=O)OC(C)(C)C)ccc21 2020331264 CKNABOMTRZVUJV-HXUWFJFHSA-N 431.577 5.082 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(C)sc(C)c1Br 2028858512 RUPCOQWHYWXRCZ-PBHICJAKSA-N 429.424 5.085 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 2032000382 OEHNEPGQMQSDOA-OSWQYVSFSA-N 449.636 5.874 30 10 IKEE COc1ccc(C(=O)C=Cc2csc(N(C(C)=O)c3cccc(C)c3C)n2)cc1OC 2040483827 JXMJTDSRDIOZLS-UHFFFAOYSA-N 436.533 5.358 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)C2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2042140104 BIWLAJUIDJZCDK-LDSCYUJKSA-N 445.535 5.106 30 10 IKEE CN[C@@H](CC#C[Si](C)(C)C)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2067285895 RUZVAQWTWKFDCL-INIZCTEOSA-N 425.443 5.328 30 10 IKEE C=C1CC[C@@H](O)CC1=C[C@H](O)[C@]1(O)CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@H](C)/C=C/[C@@H](C)C(C)C 2069535161 KXILCRGOVVVVRF-KOQQIIBFSA-N 430.673 5.807 30 10 IKEE C[C@@H]1CCC[C@]1(C#N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071352567 ALUOVKBSAQQLPB-AOLGGSBGSA-N 427.544 6.208 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@]2(C)CCCN2C(=O)OC(C)(C)C)cc1 2076988692 LVLVHKLSBZNHDU-DVECYGJZSA-N 445.560 5.118 30 10 IKEE CC1(c2nn(-c3c(F)c(F)c(F)c(F)c3F)c(Br)c2C(F)(F)F)CC1 2079832848 ZXOJYTWPLNBWSH-UHFFFAOYSA-N 435.112 5.401 30 10 IKEE COc1ccc([C@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C(C)(C)C)c(C)c1 2079926028 VVKKMLLMSUNFPX-SFHVURJKSA-N 434.378 5.458 30 10 IKEE CC(C)(C)c1nn(C(F)(F)F)c(Br)c1-c1c(F)cccc1C(F)(F)F 2080759238 RYBCLZYBHJYTCN-UHFFFAOYSA-N 433.165 6.244 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H](C(C)C)N(Cc3ccccc3)C2)c1 2090226607 JGZYBOUYTGXKDS-IGKIAQTJSA-N 449.595 5.630 30 10 IKEE C=CCN(CC[C@@H](Cc1ccccc1Br)NCCC)C(=O)OC(C)(C)C 2099288756 UZRNNBBYXNDIKT-SFHVURJKSA-N 425.411 5.173 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCCCC[C@@H]1Nc1cc(Br)c(C#N)cc1F 2106037954 HDYGYHOXEQCPAE-HOTGVXAUSA-N 426.330 5.098 30 10 IKEE CCCCCCC[C@H](NCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134729569 IRUUIMWFUHILIV-NDEPHWFRSA-N 445.647 7.856 30 10 IKEE CCC[C@]1(CNc2ccc(C#N)c(Br)c2F)CCCN1C(=O)OC(C)(C)C 2162412603 AYIHARVGORLOGR-HXUWFJFHSA-N 440.357 5.442 30 10 IKEE CN(c1cc(Br)cc(F)c1C#N)[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 2190472863 VYLLHIHUUMEDAR-CQSHLORDSA-N 429.333 5.280 30 10 IKEE CN(C(=O)OC(C)(C)C)[C@H]1CCCC[C@H]1N(C)c1ccc(C#N)c(Br)c1F 2203604868 APCQZIZFJKSJJA-CABCVRRESA-N 440.357 5.074 30 10 IKEE C=CCCCCCCC[C@H](N)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2227269725 BPIAHUCLLUZSEE-IBGZPJMESA-N 425.411 6.713 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](C2CC(C#N)(N(C(=O)OC(C)(C)C)c3ccccc3)C2)C1 2254324056 QAAFYUAMSWRPNN-VLNJMECTSA-N 441.572 5.357 30 10 IKEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)c1sc(Br)cc1C 2262200258 PPDUFAXTZUURTM-SFHVURJKSA-N 425.344 5.124 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N(Cc1ccccc1)C1CCCCC1 2267235207 GWHXPYWXVRZJDM-UHFFFAOYSA-N 433.401 5.269 30 10 IKEE CC(C)(C)OC(=O)NCc1cccc(Cl)c1Nc1ccc(C#N)cc1Br 2269407843 CSPPNSFZSIYQSS-UHFFFAOYSA-N 436.737 5.742 30 10 IKEE C=C(C)CCCC[C@@H](N)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2271755846 OIORBSYYWWACSP-RTBURBONSA-N 425.411 5.349 30 10 IKEE CC1(C)OB(c2ccsc2C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)OC1(C)C 2282101992 IISAUTCWLSOXRD-UHFFFAOYSA-N 432.565 5.260 30 10 IKEE O=C1NC(=Nc2cccc(C(F)(F)F)c2)SC1=Cc1c2ccccc2cc2ccccc12 2295499397 NMNLBHGUTUBHJC-UHFFFAOYSA-N 448.469 6.903 30 10 IKEE C[C@H](C(=O)C#Cc1cccc(Br)c1)c1ccc(NC(=O)OC(C)(C)C)cc1 2296215447 AGNDFMIEAIAFPX-HNNXBMFYSA-N 428.326 5.520 30 10 IKEE CCn1cc(C=C2Oc3cc(OC(=O)c4ccc(F)cc4)ccc3C2=O)c2ccccc21 2296595887 QOXRAPBNUSXXMI-UHFFFAOYSA-N 427.431 5.636 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)c1 2302796192 PTIAXSLNQVZTMZ-XUVXKRRUSA-N 429.561 5.322 30 10 IKEE C=CCC(C)(C)[C@H](NC)c1sc(Br)c(Br)c1Br 2304027533 JBOFMVLVAFCPRX-SNVBAGLBSA-N 446.046 5.898 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3cc(OC(=O)c4ccccc4Cl)ccc3C2=O)cc1 2314437549 PLNFEUIYJLANHI-UHFFFAOYSA-N 432.903 6.473 30 10 IKEE O=C1C(=Cc2ccc(-c3ccc(Br)cc3)o2)Oc2ccc(Br)cc21 2314519462 PPRPHSZGXOXSMS-UHFFFAOYSA-N 446.094 6.088 30 10 IKEE CC(C)c1ccc(C=C2SC(=Nc3cccc(C(=O)O)c3)N(C3CCCCC3)C2=O)cc1 2314548249 RNWLYUVPKLDDNB-UHFFFAOYSA-N 448.588 6.445 30 10 IKEE N#Cc1nc([C@@H]2C[C@H]2c2ccccc2)oc1NN=Cc1cccc(OC(=O)c2ccco2)c1 2320837074 KBGCGPXOSPDZFP-VQTJNVASSA-N 438.443 5.076 30 10 IKEE CCc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccc(F)cc2)C4)cc1 2322052248 ZIFMQWFCJXBKHO-UHFFFAOYSA-N 429.491 5.665 30 10 IKEE CCN(CC)CCCCN1COc2cc(C)c3c(c2C1)OC(=CC=Cc1ccccc1)C3=O 2322123056 LJZYHUCCGQXVEK-UHFFFAOYSA-N 446.591 5.441 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccccc1Br)C3=O)CN(CCC(C)C)CO2 2322437040 OSXQVTNDWQLSRH-UHFFFAOYSA-N 442.353 5.572 30 10 IKEE CCc1ccc(NC(=O)COc2c(C=CC(=O)c3ccc(C)cc3C)cccc2OC)cc1 2322579765 JRHWALMYFJRJDA-UHFFFAOYSA-N 443.543 5.788 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C)cc2)c1OCC(=O)Nc1ccc(C)c(C)c1 2322605085 IBIYISFLOMVWOY-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE COc1c(Br)cc(Br)cc1C=CC(=O)c1ccc(C(C)C)cc1 2322736655 BLVDITYDEKEBMB-UHFFFAOYSA-N 438.159 6.240 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2c(OCCO)ccc3ccccc23)cc1 2322758533 BJOYYIMTNLCRPU-UHFFFAOYSA-N 432.560 6.456 30 10 IKEE CCCCCCCCCOc1ccc(C=NNc2ccc([N+](=O)[O-])cc2)cc1OCC 2322969255 HTQRXDQFIQKQGF-UHFFFAOYSA-N 427.545 6.569 30 10 IKEE CCCN(CCC)C(=O)COc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC 2323126487 ZYQYUVKCLMMATB-UHFFFAOYSA-N 429.944 5.272 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc(C)c2C1=O 2323149662 CLTCJKUDTPIFAO-UHFFFAOYSA-N 445.427 5.137 30 10 IKEE CCOc1ccc(CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1 2323371062 VKAUOCWSGOQAKG-UHFFFAOYSA-N 432.447 5.297 30 10 IKEE O=C(Cc1cc(Cl)ccc1Cl)Oc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O 2323404133 XZBYGNCDPKQYSG-UHFFFAOYSA-N 443.257 5.897 30 10 IKEE COc1ccc(-c2csc(NN=Cc3cccc(OCc4ccc(Cl)cc4)c3)n2)cc1 2323839889 LGRHLGDFKDFEPV-UHFFFAOYSA-N 449.963 6.497 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1 2324372365 RICAIUORDLTZIM-IBGZPJMESA-N 425.484 5.573 30 10 IKEE C=CCOc1c(Cl)cc(C=CC(=O)c2ccc(OCC)cc2OCC)cc1OCC 2324494427 JAQDVBXQBHJSNZ-UHFFFAOYSA-N 430.928 5.997 30 10 IKEE Cc1cccc(OCCOc2ccc3c(c2)OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)c1 2324522513 DEPHCCXRFFTHSU-UHFFFAOYSA-N 428.528 6.367 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)cc(OC)c1OCC(=C)C 2324690448 HVMITZOLCCCQRT-UHFFFAOYSA-N 428.528 6.437 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCCOc4cccc5ccccc45)cc(C)c3C2=O)cc1 2324693860 NRJMBSFAGTWKBE-UHFFFAOYSA-N 436.507 6.531 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1ccc2c(c1)OC(=Cc1cccc(Cl)c1)C2=O 2325092695 PKKFPQZUHNSRGW-NRFANRHFSA-N 442.939 6.237 30 10 IKEE COc1cccc(C=C2Oc3cc(OCC(=O)Nc4c(C)cccc4C)cc(C)c3C2=O)c1 2325494298 DYJPFAVUTQMFIY-UHFFFAOYSA-N 443.499 5.254 30 10 IKEE O=C(C=Cc1ccc(Br)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2325535614 SKKJFRGOYFPNDX-UHFFFAOYSA-N 432.623 5.342 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc(N(C)C)cc1 2325571742 ABGNJRONUFNWNL-UHFFFAOYSA-N 448.423 5.778 30 10 IKEE COc1cccc(COc2ccc3c(c2C)OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)c1 2325699717 WFFOPZMWVQVUCE-UHFFFAOYSA-N 428.528 6.496 30 10 IKEE CCc1ccc(CCC(=O)Oc2cccc(C=CC(=O)c3cccc4ccccc34)c2)cc1 2325750154 AMWRWODRSCZGBO-UHFFFAOYSA-N 434.535 6.837 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1cccc(C=CC(=O)c2ccc(C)c(C)c2)c1 2325760425 LTHUEUVDAAWICJ-UHFFFAOYSA-N 430.500 5.583 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3cc(Cl)ccc3OC)c2)cc1 2325781708 QNKQOCMLUGWZFP-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE C=CCSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1ccc(C)cc1 2325883926 CCRHAEBTKPDASH-UHFFFAOYSA-N 442.588 5.912 30 10 IKEE CCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccc(Cl)cc1 2326006528 XGMPQPBWSVJDCH-UHFFFAOYSA-N 435.380 5.591 30 10 IKEE CC(C)Oc1ccc(C=Nn2cnnc2SCc2ccccc2)cc1Br 2326208100 BLNZBVBCPLISHW-UHFFFAOYSA-N 431.359 5.002 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1ccccc1OCC(C)C 2326414512 WKXGXWWXXKPDQK-UHFFFAOYSA-N 436.625 6.057 30 10 IKEE CCCOc1ccc(C=Nn2c(C)nnc2SCc2cccc3ccccc23)cc1OC 2326635537 LMGCRZOHXRDLFX-UHFFFAOYSA-N 446.576 5.712 30 10 IKEE CCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1ccc(Cl)cc1Cl 2326681340 KBPOMGBKGOHNRX-UHFFFAOYSA-N 430.364 5.584 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1ccc(Cl)cc1 2327365863 RFNWQAIXJMZTGR-UHFFFAOYSA-N 441.000 6.013 30 10 IKEE C=CCSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc(C(C)C)cc1 2327975011 RKGXCKJIIOWNPA-UHFFFAOYSA-N 425.001 6.000 30 10 IKEE CCCCC1CCC(c2nnc(SCCc3ccccc3)n2N=Cc2ccncc2)CC1 2328178991 MEASBRDLPPAGEK-UHFFFAOYSA-N 447.652 6.354 30 10 IKEE CCSc1nnc(Cc2ccccc2F)n1N=Cc1cccc(OCc2ccccc2)c1 2329730855 QRTFTUNUXVBJFJ-UHFFFAOYSA-N 446.551 5.581 30 10 IKEE C[C@@H](c1ccccc1)c1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(O)cc1 2330131656 XEPUZDWJDSLSQR-KRWDZBQOSA-N 448.979 5.963 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccccc2)cc1 2330271356 OIAYIGVBOLYTMK-UHFFFAOYSA-N 446.664 6.873 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC3CCCCC3)n2N=Cc2cccc(O)c2)c1 2330275691 ZWOIPWWIPOETFS-UHFFFAOYSA-N 434.609 5.898 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)c(F)c2)c(Cl)c1)c1ccc2ccccc2c1 2330663337 YCCJEFFDCGSLKD-UHFFFAOYSA-N 448.852 6.887 30 10 IKEE COc1ccc(OC)c(C=Nn2c(SCc3ccccc3F)nnc2-c2ccccc2)c1 2330672169 DYWDEUNVWVYQEM-UHFFFAOYSA-N 448.523 5.276 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(CC(C)(C)C)n2N=Cc2cccs2)c1 2330805360 ADEVNORCYPXQOZ-UHFFFAOYSA-N 441.626 5.158 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc([N+](=O)[O-])cc1 2330848388 YVQKANRROXSFJS-UHFFFAOYSA-N 443.960 5.603 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2Cl)n1N=Cc1c[nH]c2ccccc12 2330849510 AWGWJHWJMRPMPH-UHFFFAOYSA-N 438.000 6.176 30 10 IKEE Cc1cccc(C=Nn2c(SCC(=O)Nc3cccc(C)c3)nnc2C2CCCC2)c1 2331036062 BCRWQLORYTYEOE-UHFFFAOYSA-N 433.581 5.166 30 10 IKEE C=C(C)CSc1nnc(C2CCCC2)n1N=Cc1ccc(OCCC)c(OCC)c1 2331069586 VNCMERYXRKZJRK-UHFFFAOYSA-N 428.602 5.674 30 10 IKEE O=C(COc1ccccc1)Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1Cl 2331090700 GIGZSGBBBACDOM-UHFFFAOYSA-N 428.818 5.499 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)cc2F)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 2331149752 KNZAQKONGOLVOK-UHFFFAOYSA-N 443.789 5.642 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OC(=O)c1ccc(F)cc1F 2331159689 CHWGIWPASCESDI-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2Cl)c1 2331165574 BPOGDMGIPWAELW-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE CCCSc1nnc(-c2ccco2)n1N=Cc1ccc(OCc2ccccc2C)cc1 2331216391 JZXFSCRKATWJJS-UHFFFAOYSA-N 432.549 5.810 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2[N+](=O)[O-])c1 2331225249 BXEVGUFNNBHTOW-UHFFFAOYSA-N 445.471 5.726 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1OC(=O)c1ccccc1F 2331279463 CAIPDPCHAVXETJ-UHFFFAOYSA-N 449.434 5.556 30 10 IKEE COCCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(C)cc1 2331295744 ZFXNGGNZDSQTHR-UHFFFAOYSA-N 435.380 5.257 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 2331330090 UZWRFEQSQAFXSQ-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE CC(C)Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1cccc(Cl)c1 2331444022 BKNXVEVWCHVCQS-UHFFFAOYSA-N 429.933 5.213 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)CC(C)(C)C)c(OC)c2)cc1F 2331450979 YUTGBPCVISWNSF-UHFFFAOYSA-N 434.891 5.734 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)c1ccc(N(C)C)cc1 2331519618 HRNHVKCGNFCQQI-UHFFFAOYSA-N 449.478 5.024 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2cc(Cl)c(OC(C)=O)c(OC)c2)cc1 2331541258 ANJQVDXCXCMGRT-UHFFFAOYSA-N 444.955 6.519 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] 2331562066 AROZZJWFVDVXGD-UHFFFAOYSA-N 429.419 5.645 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3)cc2)c1 2331673762 DFIBQYBOOXXOSI-UHFFFAOYSA-N 434.463 5.738 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)Cc1cccs1 2331864005 DFUVWWGKNDBJAL-UHFFFAOYSA-N 447.339 6.108 30 10 IKEE CCCCCCCCCCCCCC=C[C@H](O)[C@@H](CO)NC(=O)NCCCCCC 2333253056 MIADELGCYXNHNP-RPWUZVMVSA-N 426.686 5.845 30 10 IKEE CCCN[C@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)[C@H]1CC12CCC2 2345012753 NBARDFIXOJOKAE-LMSSTIIKSA-N 444.667 5.073 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Br)c(Oc2nc3c(cc2C#N)CCC3)c1 2370354903 MAMBPWPYLGMRGB-UHFFFAOYSA-N 430.302 5.344 30 10 IKEE COc1ccc(/C=N/c2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)cc1Cl 3113137 JIVWGHDCJHAEMP-OPEKNORGSA-N 431.706 7.214 30 10 IKEE C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CCSc1nnc(-c2ccc(OC)cc2)o1 5977490 YRGLKFYABDJLHS-BKSPAHHJSA-N 426.626 7.026 30 10 IKEE C=CC/N=c1\scc(-c2cc3ccccc3o2)n1/N=C/c1ccccc1Br 12566848 RHSOHCDNYVXGMU-FRSXJTSWSA-N 438.350 5.694 30 10 IKEE COc1cc(/C=C/C(=O)Nc2ccccc2-c2nc3ccccc3s2)ccc1OCC#N 14603987 AFBDZHRNVTWBIN-ACCUITESSA-N 441.512 5.526 30 10 IKEE CC(C)Oc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(C(C)(C)C)cc1)C2 21221301 BTXVZVVHDLRGCK-KNQAVFIVSA-N 431.576 5.776 30 10 IKEE CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(Cl)c2Cl)cc1 21235193 MUZSJEWLPQHFSH-CRAIPNDOSA-N 442.386 6.295 30 10 IKEE O=C(/C=C/c1ccc(Cl)cc1Cl)c1ccc(OC(=O)c2ccc3c(c2)OCO3)cc1 34954977 IVWNHQWKWACNLE-RUDMXATFSA-N 441.266 5.837 30 10 IKEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C\c3ccc(OC)c(OC)c3)c2C#N)C1 35132136 AEUQPGDABIMYAX-UEOUDEGLSA-N 438.593 5.830 30 10 IKEE Cc1cc(C)c2c(c1)c(C)cc1nnc(SCCC(=O)Nc3oc(C)c(C)c3C#N)n12 40170788 WWGPTDDCDODIMP-UHFFFAOYSA-N 433.537 5.010 30 10 IKEE Cc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)c1 41355137 ABAKHVLZTXKBCT-JLPGSUDCSA-N 426.512 6.436 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(-c4ccccc4)cc1)C3=O)CN(C1CCCC1)CO2 41588687 HSZRGWAOIHQYCT-YSMPRRRNSA-N 437.539 6.373 30 10 IKEE CC(C)Oc1cccc([C@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccccc4)nn32)c1 54644518 NFBRUEDZYXLIOH-QHCPKHFHSA-N 446.576 5.380 30 10 IKEE CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(F)cc3)c2C(=O)Nc2ccccc2)C1 59720433 MDAYYFUJQRQZSO-CTOFZRSPSA-N 434.580 7.041 30 10 IKEE C=CCCC(=O)Nc1ccc2nc(SCc3ccc(OC)c([N+](=O)[O-])c3)sc2c1 59721056 FWTPBXVQJBWWMA-UHFFFAOYSA-N 429.523 5.410 30 10 IKEE CC/C(C)=N/Nc1nc2c(Cl)cc(NC(=O)c3ccccc3Cl)c(Cl)c2s1 78400705 SFFKMJJPUOUQQV-PGGKNCGUSA-N 441.771 6.707 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)CNc1ccc(C(=O)NCC)cc1 100107871 ODVKFLFAWWXGHX-UHFFFAOYSA-N 445.692 6.446 30 10 IKEE CCCCCCCOc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(O)cc3)cc2)cc1 101006022 RUIZYAVMTZKBPC-VFCFBJKWSA-N 431.532 6.711 30 10 IKEE Cc1ccc([C@@H]2/C(=C(/O)c3ccco3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 103105027 FEGKTRBVPUAEJG-GOBJLOIFSA-N 430.485 5.132 30 10 IKEE CC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 169936850 CEGAMIQQFZYXJP-FQEVSTJZSA-N 435.376 5.296 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccccc2OC)cc1 169943612 HKTRIUMTXBLDCK-RUZDIDTESA-N 441.527 5.657 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2ccc(O)cc2)cc1 169959276 KKUOJYZOMREMSZ-XMMPIXPASA-N 427.500 5.354 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccc(O)cc2)c1 169960835 WTPZKIYSNIXXDS-XMMPIXPASA-N 443.499 5.191 30 10 IKEE CCCCCCCCCCN1C(=O)C(Sc2ccccc2)=C(c2ccc(C)c(C)c2)C1=O 170000783 KFCJEOULYYWGJO-UHFFFAOYSA-N 449.660 7.316 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2C2CCCCC2)cc1 170031563 WDSZNWIRWVGWRM-DEOSSOPVSA-N 449.547 5.313 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccccc2)c1 170048713 FYLWHVJDQADCCV-VWLOTQADSA-N 441.527 5.992 30 10 IKEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc(Cl)cc1)c1ccc2ccccc2c1 170058468 UXQCCKFLTXYNGG-GGAORHGYSA-N 447.918 5.251 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1cccc(O)c1)c1c[nH]c2ccccc12 170080940 KABRZZGIOQSEMU-QFIPXVFZSA-N 444.874 5.310 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)o1 170101761 RAPQYJQJFLBSPI-QFIPXVFZSA-N 447.874 6.079 30 10 IKEE CCc1ccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170137236 OEPMZBAGEPSOQL-UHFFFAOYSA-N 427.891 5.171 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccccn2)c1 170167691 MKHRAKZZLJNRJF-XMMPIXPASA-N 436.467 5.026 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2cccnc2)cc1 170186048 LGESESHTHFBXNQ-RUZDIDTESA-N 434.495 5.580 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC(C)C)cc3)[C@H]2c2ccncc2)c1 170200821 YLVFKENWIFHFDT-XMMPIXPASA-N 442.515 5.208 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccccc2)c1 170223978 HNOJCQKBTIQLIA-DEOSSOPVSA-N 427.500 5.565 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccc2F)c1 170249596 UJEVXKMAGFBBLO-DEOSSOPVSA-N 445.490 5.706 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@H]1c1c[nH]c2ccccc12 170255985 OUNGLONPRNEHIM-HSZRJFAPSA-N 446.547 5.562 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@@H]1c1cn(C)c2ccccc12 170269178 XCEPCSNAKGPHMA-QHCPKHFHSA-N 446.547 5.182 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1ccccc1C 170271656 ZXORNZYKEIFOJK-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccccc2C)c1 170272703 BEYIZIQCLOUDOA-DEOSSOPVSA-N 438.483 5.048 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccco2)cc1C 170281098 MCJHMRWYODIDBC-HSZRJFAPSA-N 431.488 5.503 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccco1 170287947 NYLNDSLPJGICDB-QHCPKHFHSA-N 425.440 5.224 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2c2ccc(C)c(C)c2)o1 170301644 HJGZYHDXQWLBRX-DEOSSOPVSA-N 445.515 5.775 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1)c1cccs1 170377327 KYSBCSKKBPQTHW-GOSISDBHSA-N 447.409 5.689 30 10 IKEE CC(=O)Oc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(C)c(C)c2)c1 170408315 HDJZQFOFHHNYKV-QFIPXVFZSA-N 447.512 5.073 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@H]1c1ccc(C(C)(C)C)cc1 170467735 YTERIVOYTCCVPX-QHCPKHFHSA-N 435.520 5.228 30 10 IKEE O=C1/C(=C/c2cc(Cl)cc(Cl)c2O)SC(=Nc2ccccc2)N1c1ccccc1 252627155 RNTWUJDCCSQWMC-JKJUGIAJSA-N 441.339 6.508 30 10 IKEE Clc1ccc(/C=C/C=Nc2ccc3oc(-c4ccc5ccccc5c4)nc3c2)c(Cl)c1 254743211 SUJMRLHEGFTHJI-MUMYNVIWSA-N 443.333 8.371 30 10 IKEE C=CCN(C[C@H](Cc1cc(Cl)ccc1Br)NCCC)C(=O)OC(C)(C)C 407504386 NDVPLJCMDRNXAO-KRWDZBQOSA-N 445.829 5.436 30 10 IKEE CC(C)(C)c1ccc(CSc2nncn2/N=C\c2cc(Br)ccc2O)cc1 526805297 KCBASYXCQKIBDW-KSEXSDGBSA-N 445.386 5.218 30 10 IKEE CCCOc1ccc(/C=N\n2c(C)nnc2SCc2cc(C)ccc2C)cc1Cl 526818417 IBZFKBXXAWSSJY-CFRMEGHHSA-N 428.989 5.820 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1c(O)ccc2ccccc12 526825877 NFQQZLJWPQVBAX-YSMPRRRNSA-N 434.540 5.793 30 10 IKEE N#Cc1ccc(CN(Cc2cccc(C(F)(F)F)c2)S(=O)(=O)c2cccs2)cc1 586167323 IIHLFGCGCUVBKI-UHFFFAOYSA-N 436.480 5.030 30 10 IKEE CC(C)c1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)cc1 698460029 UOTGTZCGVQQBDD-HXUWFJFHSA-N 429.358 6.579 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1ccccc1C1CC1 698481252 FOACFFWWRYVFSL-FQEVSTJZSA-N 427.342 6.333 30 10 IKEE C[C@@H]1N(Cc2ccccc2)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 698888947 BEJGBDLJWIITHI-UUOWRZLLSA-N 425.960 5.638 30 10 IKEE CN(C(=O)OC(C)(C)C)C(C)(C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 698901104 IUDHEUHFSMQDLC-QGZVFWFLSA-N 437.968 5.619 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C1 724029039 OTAYWDZRKBSKEV-SBUREZEXSA-N 449.979 5.811 30 10 IKEE Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2/C=C2\COc3ccc(F)cc3C2=O)cc1 725330285 ZQMHLLQPCALOBZ-XDHOZWIPSA-N 428.438 5.785 30 10 IKEE CCSc1ccc(/C(CC)=N/OCc2cc(=O)c(OCc3ccccc3)cn2C)cc1 821226312 FNXLEZIPHULJBN-WNAAXNPUSA-N 436.577 5.407 30 10 IKEE CCCCCCCCCCCCNC(=O)[C@H]1CCC[C@@H]1C(=O)NCCCCCCCC 1082549254 AXHHOMACSHJFKN-DQEYMECFSA-N 436.725 6.917 30 10 IKEE C=C(C)c1cccc(NC(=O)CSCc2nc(O)c3c4c(sc3n2)CCCC4)c1 1603446380 DWBIHCYRAVHDFM-UHFFFAOYSA-N 425.579 5.181 30 10 IKEE CCCCOc1ccc(/C=C2/SC(=Nc3ccncc3Cl)N(CC)C2=O)cc1OC 1772732083 CISHSSPDLJNLGU-RLPJPJOASA-N 445.972 5.546 30 10 IKEE Cc1cccc(C(C)C)c1NC(=O)c1nc(C(=O)Nc2ccccc2C#N)n2ccccc12 1858242804 HJJKKIHSBRQQHC-UHFFFAOYSA-N 437.503 5.142 30 10 IKEE CCc1ccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)nn2-c2cccc(Cl)c2)cc1 1859397966 AFGYXEVVWCAONR-UHFFFAOYSA-N 426.907 5.879 30 10 IKEE N#Cc1c(NC(=O)Cc2ccc3oc(-c4ccc(Cl)cc4)nc3c2)sc2c1CCCC2 1859485177 SVNCTTAXXLDGOD-UHFFFAOYSA-N 447.947 6.141 30 10 IKEE CCCCCCCCNC(=O)[C@H](CC(C)C)NC(=O)c1c(Cl)ccc(Cl)c1Cl 1861149731 GMAACKIQSUSYOO-KRWDZBQOSA-N 449.850 6.268 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)/C=C/c1ccc(OC)cc1OC 1861561300 OPUQXJCXQJYNNI-NGIFANIDSA-N 446.632 5.259 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccc(-c2ccccc2)cc1 1862117175 CHIZKGNBBUMKBK-AREMUKBSSA-N 442.534 5.034 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862395575 SVFJRMRJTMIOKR-XMMPIXPASA-N 435.564 5.113 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc2cc[nH]c2c1 1862415421 WWROAQCQYAAUTF-QFIPXVFZSA-N 438.474 5.605 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862419844 YUFRJPBJILKHCZ-QKKBWIMNSA-N 429.463 5.130 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccccc1Cl)c1ccccc1Cl 1862432556 HPDKTFBBNDRDLR-IBGZPJMESA-N 428.271 5.365 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(C(C)(C)C)cc1 1862461520 HGPUZQURNFSDRP-NRFANRHFSA-N 445.481 5.780 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccccc2Cl)c1 1862490728 CLXOMNWWRPZNIM-JOCHJYFZSA-N 432.907 5.130 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2C2CCCCCCC2)c1 1862507316 IVTLAYICOAPGOO-DEOSSOPVSA-N 435.539 6.134 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccccc2Cl)cc1 1862535894 MFXPPDRZJPHINY-DEOSSOPVSA-N 449.978 6.371 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccccc2)cc1OC 1862576275 QREAMUKQGBPAOW-QHCPKHFHSA-N 435.520 5.005 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCCCCO)cc1 1862650442 WGUGSQRSAOXPDB-RUZDIDTESA-N 443.543 5.143 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cc(C)ccc2C)c1 1862673055 BFPNOLVBZWPTAQ-XMMPIXPASA-N 429.491 5.529 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2ccc(C)cc2)cc1 1862688266 VNVUDYQXFNEJCW-VWLOTQADSA-N 441.527 5.399 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccc(Cl)c1 1862725348 HFZDUKPVVKHTBX-DEOSSOPVSA-N 445.946 6.385 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)cc1 1862746875 KISWLWMFZOICDZ-QGCDCVKKSA-N 434.492 5.060 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2cccnc2)=C(c2ccc(OC)cc2)C1=O 1863672538 VQCHJWQKTDGKSF-UHFFFAOYSA-N 449.595 5.101 30 10 IKEE CCCC[C@H](NC(=O)/C=C(/c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1ccc(C#N)cc1 1866691575 UNYSTMUOBBGHHO-WWNGRIQCSA-N 429.564 5.282 30 10 IKEE Cc1ccc(/C(=C/C(=O)N[C@@H](C(=O)Nc2ccc(C#N)cc2)c2ccccc2)C2CC2)cc1C 1866692287 NJBWLIJGJTZKHQ-XQNWCSQWSA-N 449.554 5.465 30 10 IKEE C[C@H]1Cc2ccccc2N(c2cc(Nc3ccccc3C#N)nc(Cc3ccccc3)n2)C1 1868216037 PASXOACFBKPJCI-FQEVSTJZSA-N 431.543 6.013 30 10 IKEE CCCc1nc(Nc2ccc(C#N)cc2)cc(N2CCc3[nH]c4c(OC)cccc4c3C2)n1 1868400980 KYIWVUHDEJOJDY-UHFFFAOYSA-N 438.535 5.097 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](NC(=O)[C@@H](c1ccc(C(C)C)cc1)C(C)C)c1ccccc1 1868850033 AZDGFNCRWOBDOU-CLJLJLNGSA-N 432.608 5.608 30 10 IKEE C=CCN(CC=C)c1cc(N2[C@@H](Cc3ccccc3)COCC2(C)C)nc(C(C)(C)C)n1 1869176248 KKZVLUYEBNQPRK-QFIPXVFZSA-N 434.628 5.179 30 10 IKEE CC(C)(C)c1ccc(-n2nnc(C#N)c2NC(=O)c2c(Cl)ccc(Cl)c2Cl)cc1 1870154516 WCWNMBBNABCCCN-UHFFFAOYSA-N 448.741 5.649 30 10 IKEE CCCCCCCCn1cc(OCC(=O)N(C)CCCC)c(=O)cc1CN(C)CCCC 1870515068 NOIINIOGTHZMDI-UHFFFAOYSA-N 449.680 5.078 30 10 IKEE C=CCOc1cn(Cc2cccnc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870810609 KESCDEAUZHIVTB-UHFFFAOYSA-N 438.531 5.212 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc3c2CN(Cc2cccc(C)c2)CO3)C1=O 1871347877 ATYZXHAQXIBYJF-QFEZKATASA-N 427.500 5.362 30 10 IKEE COc1ccccc1/C=C1\Oc2c(ccc(OC(=O)c3ccc(F)c(F)c3F)c2C)C1=O 1871370033 CXDZCMJQHDZLIA-ODLFYWEKSA-N 440.373 5.256 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OC(=O)CCCOc4ccccc4)cc(C)c3C2=O)c1 1871371501 SUUBCCMUNQWCAH-JLPGSUDCSA-N 428.484 5.684 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4cccc(OC(C)C)c4)ccc3C2=O)cc1 1871387342 PYPNIPLLOXUOBL-CFRMEGHHSA-N 430.456 5.318 30 10 IKEE CCOc1ccc(/C=C2\Oc3c(ccc(O)c3CN(Cc3ccccc3)C(C)C)C2=O)cc1 1871393632 AMAXXHGAGVRJFV-QQXSKIMKSA-N 443.543 5.818 30 10 IKEE CCN(CCc1ccncc1)Cc1c(O)cc(C)c2c1O/C(=C\c1ccc(C)cc1)C2=O 1871394433 XLYHPUKMLVZFPY-JLPGSUDCSA-N 428.532 5.085 30 10 IKEE C=CCN(CC=C)c1nc(=NCc2ccc(C)cc2)nc(Nc2ccc(CCCC)cc2)[nH]1 1871503281 HKOGFXUPXFUXRT-UHFFFAOYSA-N 442.611 5.479 30 10 IKEE CCCCCCCCNC(=O)c1ccc2[nH]c(-c3ccc(OCCCCC)cc3)nc2c1 1872736619 PZLBYGJZWWFHME-UHFFFAOYSA-N 435.612 6.889 30 10 IKEE N#C[C@@H](C(=O)/C=C/c1ccc(OCc2ccccc2)cc1)c1nc(-c2cccs2)cs1 1872774347 OLFSHJYVECENGS-BGVYSJOJSA-N 442.565 6.340 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(C(C)C)cc3)n2)c1C 1872778085 CUUBWSWLRVIUGM-JYLQPTBZSA-N 428.601 7.057 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3cccc4ccccc34)n2)c(OC)c1 1872783530 BWCSDUAYHKVMID-NRFANRHFSA-N 428.513 5.399 30 10 IKEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(OC)cc3)n2)c(OCC)c1 1872783812 ILJHHRMVJCTGRE-CDDKBXLESA-N 448.544 5.506 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(Nc2cccc(C#N)c2)=C(c2cccc(OC)c2)C1=O 1873214308 FGGGFDNXDUZNPX-OAQYLSRUSA-N 431.536 5.118 30 10 IKEE CCOc1ccc(/C=N/Nc2oc(Cc3cccc4ccccc34)nc2C#N)cc1OCC 1873463962 QHNUFKUPQAQMTC-OGLMXYFKSA-N 440.503 5.534 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)c(Cl)c2)cc2c(NCc3ccc(C)cc3)ncnc21 1873641897 RSSLOWRZVUQTJU-UHFFFAOYSA-N 445.954 5.752 30 10 IKEE N=c1[nH][nH]c2cc(N/N=C/c3cccc(OCc4ccc(Cl)cc4Cl)c3)ccc12 1873792469 DNCITTVVZWRYLP-OPEKNORGSA-N 426.307 5.307 30 10 IKEE CCCCCCCCNC(=O)CCc1c(C)c2cc3c(C(C)(C)C)coc3cc2oc1=O 1873892280 YIJBCHITQXLYAY-UHFFFAOYSA-N 439.596 6.554 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](C)Oc1cc(C)cc2oc(=O)cc(CCC)c12 1873935686 WCGKMWHLXACELV-FQEVSTJZSA-N 429.601 6.078 30 10 IKEE CCCCCCCCCCNC(=O)CC1(N2Cc3ccccc3C2=O)CCSCC1 1873936874 QPTKNDULCQPKJG-UHFFFAOYSA-N 430.658 5.555 30 10 IKEE C=CCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1cccc2ccccc12 1874232042 ADLQMTFJDRZUPS-ZTKZIYFRSA-N 448.595 6.530 30 10 IKEE CCCSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1ccc(F)cc1F 1874254057 UDHKNLNNPFAUBB-MFKUBSTISA-N 430.524 5.261 30 10 IKEE C=CCSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1c(Cl)cccc1Cl 1874321015 VRPNSTFVWZKSOV-WYMPLXKRSA-N 447.391 5.941 30 10 IKEE CCCSc1nnc(COCc2ccccc2)n1/N=C/c1c(OC)ccc2ccccc12 1874354861 FKMDQOLFRPSSNE-WGOQTCKBSA-N 446.576 5.541 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2cccnc2)cc1C 1874357538 MURLQDMARDRBKJ-JVWAILMASA-N 427.577 5.364 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccccc3Cl)n2/N=C/c2ccccc2O)cc1 1874365183 OUJCXYLIHXCJGP-AFUMVMLFSA-N 434.952 5.787 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(COc3ccccc3)nnc2SCc2ccccc2C)c1 1874382944 QIRXZEVXMLUFEA-CVKSISIWSA-N 444.560 5.354 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCCc2ccccc2)n1/N=C/c1ccc(O)cc1O 1874399902 FXNYGBQWJDMEBJ-WNIQNGNASA-N 444.560 5.058 30 10 IKEE CCCN(CCC)C(=O)CSc1nnc(CC2CCCCC2)n1/N=C/c1cccs1 1874408675 JQVYDTFQQIRBGX-XQNSMLJCSA-N 447.674 5.085 30 10 IKEE O=[N+]([O-])c1cccc(/C=N/n2c(SCc3cccc(F)c3)nnc2-c2ccccc2)c1 1874426937 IZXHTWDUYOXFKC-ZVHZXABRSA-N 433.468 5.167 30 10 IKEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3c(C)cccc3C)nnc2C(C)(C)C)cc1 1874481546 AZQXJMODZVNAIH-CVKSISIWSA-N 449.624 5.368 30 10 IKEE O=[N+]([O-])c1cc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C2CC2)ccc1Cl 1874517607 CAAOFUUTSCMOHZ-LSHDLFTRSA-N 431.880 5.031 30 10 IKEE Brc1cccc(/C=N/n2c(SCCc3ccccc3)nnc2C2CC2)c1 1874521266 KGXMKJDJAVGNHO-HYARGMPZSA-N 427.371 5.135 30 10 IKEE COc1ccc(/C=N/n2c(S)nnc2[C@H](C)c2ccccc2)cc1OCc1ccccc1 1874561539 WPEZHCGOHFDONU-CVLFLDGLSA-N 444.560 5.188 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2c(Cl)cccc2Cl)cc1 1874573025 RCDFHSRNWIEZLA-ZRDIBKRKSA-N 445.773 7.684 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(F)cc2F)c1OCCc1ccccc1 1874576408 LRPDIKGXSIVQSQ-JXMROGBWSA-N 428.862 6.144 30 10 IKEE Cc1ccc(C(=O)/C=C/c2c(OCC(=O)Nc3ccc(C)c(C)c3)ccc3ccccc23)cc1 1874579556 UYAPZRXXGXEJJH-FOCLMDBBSA-N 449.550 6.679 30 10 IKEE Cc1ccc(C(=O)/C=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1C 1874588597 UYISXKSRJGIPKY-CCEZHUSRSA-N 426.943 7.585 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccccc2)c2ccccc12 1874591837 FCKRLYLZNVAQQY-SDNWHVSQSA-N 428.915 6.977 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2cccc(OCC(=O)NCCC)c2)cc1 1874598125 VNTKKYIZZMUPQY-SFQUDFHCSA-N 437.580 5.837 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cccc(OCC(=O)Nc2ccc(F)cc2)c1 1874599701 ZUQMVWBGVIATKV-KPKJPENVSA-N 433.479 5.365 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3ccccc3F)c(OC)c2)cc1C 1874606954 OWJHCGGIZJZQPO-PKNBQFBNSA-N 436.479 5.635 30 10 IKEE C=C(C)COc1c(OCC)cc(/C=C/C(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 1874607723 CEIRGSJABKMXGE-BJMVGYQFSA-N 446.297 5.607 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OCc2cccc3ccccc23)c(Cl)c1 1874610190 FXFSUWIKAXKCIB-FYWRMAATSA-N 428.915 6.977 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3CC)cc2)cc1 1874613985 XPMPPMRPAZCYFE-WOJGMQOQSA-N 429.516 5.561 30 10 IKEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1Cl 1874615900 UKWAVPYHSPVFLC-WEVVVXLNSA-N 440.754 5.790 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3C)c([N+](=O)[O-])c2)cc1 1874616915 ADNSAVKKXVYTEI-RIYZIHGNSA-N 431.488 6.167 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Br)c1OCCCO 1874617619 LDJSARWXUSHFOV-VQHVLOKHSA-N 433.342 5.122 30 10 IKEE C=C(C)COc1c(Br)cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1OC 1874621251 PZRCYGCPPPOXGL-GQCTYLIASA-N 431.282 5.037 30 10 IKEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2OC)o1 1874622489 GDCKCKYTKWRVFW-AWNIVKPZSA-N 448.515 5.847 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OCc1ccc(C)cc1 1874633088 LJVPWLJCYNUTCH-FYWRMAATSA-N 426.556 6.824 30 10 IKEE CCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCCCC1 1874644888 PBMDVJXYNKZKKP-DEOSSOPVSA-N 425.617 5.348 30 10 IKEE CCCc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(CC)cc3)c2)cc1 1874694576 KFSLLGXXFFMNFS-QGOAFFKASA-N 428.528 6.082 30 10 IKEE O=C(Cc1cccs1)Oc1cccc(/C=C/C(=O)c2ccc(Br)cc2)c1 1874697101 NFSHEONQKVBUTE-IZZDOVSWSA-N 427.319 5.555 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1)c1ccccc1 1874700157 DSJYCSMBFSLYRU-SDNWHVSQSA-N 442.471 5.310 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cccc(OC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)c2)c1 1874703452 QLMASDQCGKDLLH-QKAOGNPNSA-N 430.931 6.562 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(OCC)cc2)CSc2nnc(C(C)C)n21 1874856145 MGVKDCSVYYAFKC-NRFANRHFSA-N 444.645 5.862 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 1875085278 XZPPHZWMLJLCMA-CSKARUKUSA-N 442.254 6.017 30 10 IKEE Cc1ccccc1CCC(=O)Oc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] 1875124583 RVOBNAZDAYZYOY-FMIVXFBMSA-N 449.890 5.991 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)CCCOc3ccccc3)cc2)c1 1875145559 MNYKYLOHNYGCBQ-FOWTUZBSSA-N 446.499 5.365 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)c1ccncc1 1875159518 FRCMAVUZTUTWKV-FPYGCLRLSA-N 425.843 5.388 30 10 IKEE CCc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2OC)cc1 1875159538 SYQOXAYGNMDKBQ-OVCLIPMQSA-N 432.491 5.831 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)c(F)c3)c([N+](=O)[O-])c2)cc1C 1875174701 DORFTHWAVCPLQN-RUDMXATFSA-N 437.398 5.605 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3c(C)ccc(C)c3C)cc2)cc1C 1875176001 RFOJPNJJCAQADC-RVDMUPIBSA-N 428.528 6.109 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1ccc(OC(C)=O)cc1 1875179127 USYOXCRHPLVRPB-AWNIVKPZSA-N 444.483 5.353 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc(OC)c1OC(=O)C(F)(F)F 1875191616 WAJVTZRTQUKABM-ZZXKWVIFSA-N 449.208 5.374 30 10 IKEE C=C(COCCC)[C@@H](N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875653418 XUSNBEGNUSNBBG-IZLXSDGUSA-N 447.575 5.188 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2 1922087275 XMUBAVFBFVLICN-FXSPECFOSA-N 428.617 5.307 30 10 IKEE CCCCCCCC[C@H](NCC)c1c(Br)sc(Br)c1Cl 1923065342 BCTNEXNDKKZKCO-NSHDSACASA-N 445.692 7.328 30 10 IKEE C=CCC1(NCc2ccc(Br)cc2F)CCN(C(=O)OC(C)(C)C)CC1 1924543129 RXKNVRZEONLWDN-UHFFFAOYSA-N 427.358 5.024 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(C)cc(Br)c1F 1926705949 BBIAURQPZOHNPE-FUHWJXTLSA-N 429.374 5.407 30 10 IKEE Cc1nc(N(Cc2ccccc2)[C@H](C)c2cccs2)ccc1B1OC(C)(C)C(C)(C)O1 2052551581 HHZGQINPLUVUQM-LJQANCHMSA-N 434.414 5.519 30 10 IKEE C[C@@H]1CN(C(=O)C=Cc2ccc(Cl)c([N+](=O)[O-])c2)C(=Nc2ccc(Cl)cc2)S1 2053513855 XXQXWDQLDZONDF-GFCCVEGCSA-N 436.320 5.566 30 10 IKEE C=CCCCCC[C@H](NC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071251967 JEIVTBGMKVYQBT-MHZLTWQESA-N 429.604 7.242 30 10 IKEE Cc1ccc([C@H](C2CCC2)n2nc(C(C)(C)C)c(C=NO)c2Br)c(F)c1F 2079937877 CJBYQLCANRKBQF-KRWDZBQOSA-N 440.332 5.727 30 10 IKEE Cc1cc(C)c([C@@H](C2CC2)n2nc(C3(C)CC3)c(C#N)c2I)c(C)c1 2080039615 XNUFFWRONQYBEY-GOSISDBHSA-N 445.348 5.336 30 10 IKEE CCCCCC#CC[C@@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2083429785 DJXKZFXEQRRMIH-ICDZXHCJSA-N 444.660 5.827 30 10 IKEE C=CCN(CC[C@@H](Cc1cccc(C)c1Br)NCC)C(=O)OC(C)(C)C 2099293774 XFXWTAJBCPPXJA-SFHVURJKSA-N 425.411 5.091 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)c(C)c(Br)c1)NC 2111264380 MKWYTGUBXPIRCK-ZWKOTPCHSA-N 445.829 5.401 30 10 IKEE C=CCCCC[C@H](NCCC)c1ccc(I)c(Br)c1 2123089506 SYQJOAQPSMKLSA-INIZCTEOSA-N 436.175 5.841 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)c(F)c1F 2159126276 SYKMVAHWFVFSCH-MAUKXSAKSA-N 445.348 5.075 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCC2(CCOCC2)C1 2159745388 OPPVUOPGALIRFO-OAQYLSRUSA-N 435.362 5.434 30 10 IKEE CC(C)(C)OC(=O)NCC[C@@H]1CCC[C@H](Nc2cc(Br)c(C#N)cc2F)C1 2162308561 IUVSFNXIBQTBRL-ZFWWWQNUSA-N 440.357 5.345 30 10 IKEE CC(C)N(CC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(C#N)cc1Br 2174808263 LUVSHTGTICZCHW-UHFFFAOYSA-N 436.394 5.183 30 10 IKEE C=CCCC[C@H](NCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229122485 KGPDOWSXXRZMHZ-OALUTQOASA-N 425.411 5.219 30 10 IKEE C=C([C@H](NCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)C(C)(C)C 2237397309 AVFLXCASHYZUAU-MOPGFXCFSA-N 439.438 5.465 30 10 IKEE CCCN[C@H](C#CC1CCCCC1)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2251414596 SPGCBVYZZRVMBU-DNQXCXABSA-N 428.617 5.048 30 10 IKEE C=CC[C@@]1(COc2cccc(Br)c2N)CCCCN1C(=O)OC(C)(C)C 2272226158 UWWSYJHPPJMPAQ-FQEVSTJZSA-N 425.367 5.146 30 10 IKEE COc1cc(C)c(C=C2SC(=Nc3ccccc3)N(C3CCCC3)C2=O)cc1C(C)C 2294581393 QEKANXFTDOFSFP-UHFFFAOYSA-N 434.605 6.674 30 10 IKEE CC(C)(C)OC(=O)NC1CCC(CC[C@@H](O)C#Cc2cccc(Br)c2)CC1 2296229827 NJMROZVSNZVZPV-RRWXTXHCSA-N 436.390 5.025 30 10 IKEE O=C1C(=O)N(c2nccs2)[C@H](c2ccc(Cl)cc2)C1=C(O)c1ccc(Cl)cc1 2297056420 CEADUZPXBWGMOR-MRXNPFEDSA-N 431.300 5.076 30 10 IKEE CCOc1ccc2oc(C)c(C(=O)Oc3ccc4c(c3)OC(=Cc3ccco3)C4=O)c2c1 2314437138 DFQPTVJEYGJEGE-UHFFFAOYSA-N 430.412 5.568 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@@H](C#N)C12CC(CCN1C(=O)OC(C)(C)C)C2 2318780286 BNLGRZJGDIQZPR-CBRQFWLQSA-N 445.535 5.249 30 10 IKEE O=C1C(=Cc2ccccc2Br)Oc2c1ccc1c2CN(C2CCCC2)CO1 2322016062 IBQHMDFFWIIKCW-UHFFFAOYSA-N 426.310 5.160 30 10 IKEE CCCCC[C@@H](CC)N1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(N(C)C)cc1)C3=O 2322076142 XXBJOQUAFPEFJL-OAQYLSRUSA-N 448.607 6.188 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Cl)ccc1OCc1c(F)cccc1Cl 2322481612 SROLGYACXKVIEC-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(C(C)C)cc2)c1OCC(=O)Nc1cccc(C)c1 2322738087 HHJRRFVHYRYWMC-UHFFFAOYSA-N 443.543 6.041 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1OCC(=O)Nc1ccc(F)cc1 2323106148 XPJASHULWXSMKA-UHFFFAOYSA-N 441.405 5.026 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc(Cl)c2)c([N+](=O)[O-])c1)c1ccccc1Cl 2323603948 QSTBGWYDDFIXKJ-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(Cl)c2)cc(OC)c1OCc1cc(C)ccc1C 2323775072 WNBGXVSMGUWHMB-UHFFFAOYSA-N 446.974 7.169 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(F)c2)C3=O)c(OCC)c1 2323783262 FBVUAXISDYYXFD-UHFFFAOYSA-N 448.446 5.459 30 10 IKEE C=CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)c1 2323854686 OSABYJIWAYXWGE-UHFFFAOYSA-N 446.886 6.049 30 10 IKEE CC(C)COC(=O)COc1ccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1 2324281027 QLEPDPLNQYWRDT-UHFFFAOYSA-N 430.500 5.953 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(OC)c(C)c3C)cc2)cc1 2324295002 GMUIWUNDAIPYFB-UHFFFAOYSA-N 443.543 5.788 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(O[C@@H](C)C(=O)Nc3ccccc3)ccc2C1=O 2324400527 READDIGDNSKLMI-KRWDZBQOSA-N 429.472 5.108 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2cccc(F)c2)C3=O)c1 2324455988 GVIMWCNOVNFGLH-GOSISDBHSA-N 445.490 5.773 30 10 IKEE COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2)C3=O)cc1Cl 2324474441 YWLDQUHLSWFNAF-OAHLLOKOSA-N 449.890 5.371 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(OC)cc2)C3=O)cc1 2324474747 QLJPSNWCIIEAHN-QGZVFWFLSA-N 443.499 5.280 30 10 IKEE COc1cc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(F)cc3)n2)c(OC)cc1Cl 2324741427 BUEZBKQXEMFEEH-INIZCTEOSA-N 442.899 5.509 30 10 IKEE Cc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4nc5ccccc5s4)ccc3C2=O)o1 2325418665 XEZVDVZHJCSSKL-AWEZNQCLSA-N 446.484 5.220 30 10 IKEE CCOc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2cccc(C)c2)C3=O)cc1 2325705049 NHESRTSMUFKJCS-UHFFFAOYSA-N 429.472 5.027 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3cccc(C)c3C)c2)cc1C 2325714523 HVMPOADMLJEALX-UHFFFAOYSA-N 430.500 5.501 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4cc(C)cc(C)c4)cc(C)c3C2=O)cc1 2325722157 VPBVTUPYCMNWRR-UHFFFAOYSA-N 441.527 5.808 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 2325735475 RUPHFZJDXFVVJB-UHFFFAOYSA-N 445.471 5.644 30 10 IKEE Cc1cc(OCC(=O)Nc2ccccc2)cc2c1C(=O)C(=Cc1ccc(C(C)C)cc1)O2 2325740210 JPYQJJVXPZABQP-UHFFFAOYSA-N 427.500 5.752 30 10 IKEE Cc1cccc(OCC(=O)Oc2cccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)c2)c1C 2325756767 KKCQDFHKWSEJPG-UHFFFAOYSA-N 442.555 6.418 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1OC(=O)c1ccc(C)c(C)c1 2325757216 DIZIUHZPTNCQMA-UHFFFAOYSA-N 444.527 6.053 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cccc(Oc4ccccc4)c3)c2)cc1C 2325760519 UMKBUJQAVMLKCH-UHFFFAOYSA-N 448.518 7.211 30 10 IKEE CCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1c(C)n(C)c2ccccc12 2326327876 XCDDVHGLBJIYSC-UHFFFAOYSA-N 445.636 6.113 30 10 IKEE C=CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccc(C(C)C)cc1 2326924330 NJXJBBUBGVFYCC-UHFFFAOYSA-N 434.653 6.321 30 10 IKEE C=CCSc1nnc(COc2cc(F)ccc2F)n1N=Cc1ccc(C(C)C)cc1 2327476097 AQMBOWDRFZCANK-UHFFFAOYSA-N 428.508 5.419 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3F)n2N=Cc2cccc(F)c2)c1 2329745769 FUMZMWNVTIDCNT-UHFFFAOYSA-N 448.542 5.938 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccc(F)cc3)n2N=Cc2cccnc2)c1 2329842577 QGHYHNZOBFUKHT-UHFFFAOYSA-N 431.540 5.194 30 10 IKEE CCCCCOc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCCC)cc1 2330206294 BVYVVJJAHDSJBV-UHFFFAOYSA-N 436.625 6.017 30 10 IKEE Cc1ccsc1C=Nn1c(Cc2cccs2)nnc1SCc1ccc(Cl)cc1 2330422308 TXLITDOUVSHRIM-UHFFFAOYSA-N 445.038 6.128 30 10 IKEE CCOc1cc(C=Nn2c(SCc3ccccc3C)nnc2-c2ccccc2)ccc1O 2330635106 GBIRSZYXILAKDM-UHFFFAOYSA-N 444.560 5.532 30 10 IKEE O=C(Cc1ccccc1Cl)Oc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1 2330651540 LOUSJTACOBGDJP-UHFFFAOYSA-N 426.899 6.537 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(CC(C)(C)C)n2N=Cc2ccccc2C)c1 2330819867 UTBQSRUVIBZERA-UHFFFAOYSA-N 435.597 5.097 30 10 IKEE Cc1cccc(C=Nn2c(CC(C)(C)C)nnc2SCC(=O)Nc2cc(C)cc(C)c2)c1 2330824661 LKXUNAVOJBGDEL-UHFFFAOYSA-N 449.624 5.405 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)ccc1OC(=O)Cc1ccc(F)c(C)c1 2330949457 WHNXOJZRIMWQQF-UHFFFAOYSA-N 438.882 5.840 30 10 IKEE CCCSc1nnc([C@H]2CCCO2)n1N=Cc1ccc(N(CC)Cc2ccccc2)cc1 2330976916 JCCWFMFFXZBZQS-HSZRJFAPSA-N 449.624 5.540 30 10 IKEE Cc1ccc(C=Nn2c(SCC(=O)Nc3cc(C)ccc3C)nnc2C2CCCC2)cc1 2331018525 GYRUNWPCHSGHKX-UHFFFAOYSA-N 447.608 5.474 30 10 IKEE CCCOc1ccccc1C=Nn1c(SCc2ccc(F)cc2)nnc1C(F)(F)F 2331115635 ACDMTJYVGISJBT-UHFFFAOYSA-N 438.450 5.399 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc(F)c2)c([N+](=O)[O-])c1)c1cccc(Cl)c1 2331125941 OCEVDIXBVPZUJO-UHFFFAOYSA-N 425.799 5.503 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C2CCCC2)c(Br)c1)c1ccc(Cl)cc1 2331146278 QGASJLGKIJZNBJ-UHFFFAOYSA-N 433.729 6.094 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3ccc(C)cc3)nnc2-c2ccco2)c1 2331167811 YHWFALFSCCOMTH-UHFFFAOYSA-N 432.549 5.810 30 10 IKEE CCCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2OC)cc1 2331183539 BYOLJZRIXFMKGP-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)c1ccccc1 2331225691 OFEDUGGHYVTGDT-UHFFFAOYSA-N 434.919 6.471 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)COCc3ccccc3)cc2)cc1 2331295945 XVYHZPNQSXSXEU-UHFFFAOYSA-N 430.500 5.494 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)CCc1ccccc1C 2331350793 UBLYMKPHELJDDT-UHFFFAOYSA-N 432.491 5.885 30 10 IKEE Cc1cccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1C 2331411668 ADSNOFIVMUVMEL-UHFFFAOYSA-N 442.555 6.481 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(Cl)c(Cl)c1 2331434397 VLZXGIICNTUTRQ-UHFFFAOYSA-N 437.371 6.097 30 10 IKEE Cc1ccccc1NC(=O)CSc1nnc(CC(C)C)n1N=Cc1ccc(C(C)C)cc1 2331443288 IGETZBLLIFRJMZ-UHFFFAOYSA-N 449.624 5.521 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1cccc(F)c1 2331471197 VDBGLQIRILXGTO-UHFFFAOYSA-N 437.371 6.097 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)Cc1ccc(F)cc1 2331517799 ZXFHXXMLIUMMQH-UHFFFAOYSA-N 438.426 5.026 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1[N+](=O)[O-] 2331665250 BKUIORJNTJXWHS-UHFFFAOYSA-N 439.508 5.992 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)c1ccccc1F 2331673221 QWSJXFZWQLWYJT-UHFFFAOYSA-N 434.463 5.575 30 10 IKEE C=CCSc1nnc(C(C)C)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2331705209 PFCHCQMKDCPNRG-UHFFFAOYSA-N 426.973 5.794 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCc3c(Cl)cccc3Cl)nnc2C(C)C)cc1 2331705511 XOMSURQDJIPPSB-UHFFFAOYSA-N 447.435 7.006 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3c(C)cc(C)cc3C)cc2)cc1OC 2331762879 ZOVCHZLKTVBJCS-UHFFFAOYSA-N 444.527 5.673 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)ccc1OC(=O)c1ccccc1 2331870034 SEIWTIQZEPUSDE-UHFFFAOYSA-N 438.479 5.972 30 10 IKEE C[C@@H]1CC[C@@H](CSCc2ccc(B3OC(C)(C)C(C)(C)O3)c(Br)c2)C1 2349809611 PDVKAEMXMSVTGU-HUUCEWRRSA-N 425.241 5.418 30 10 IKEE C=CCn1c(SCCCOc2ccccc2)nc2scc(-c3ccccc3)c2c1=O 9041674 GEYZMHTVMUEGTD-UHFFFAOYSA-N 434.586 5.872 30 10 IKEE C=CCN1C(=O)[C@@H](Cc2ccc(SC(F)F)cc2)S/C1=N\c1ccc(C(=O)O)cc1 12192100 HBKZEXDNNIEMKH-PJXFJRINSA-N 448.516 5.060 30 10 IKEE C=CCn1c(SCc2cccc(Cl)c2)nnc1C1CCN(Cc2ccco2)CC1 12283579 VQIZZFKAKVSUGJ-UHFFFAOYSA-N 428.989 5.382 30 10 IKEE CCN(CC)c1ccc(/C=N/Nc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)n2)cc1 33391077 HQSFSHZSEUUCGE-VUTHCHCSSA-N 439.538 6.242 30 10 IKEE O=C(/C=C\c1cccc(Cl)c1Cl)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 33580919 ATUJQIZTTRXGNN-RAXLEYEMSA-N 438.376 5.454 30 10 IKEE CCOc1ccccc1/C=C/C(=O)c1ccc(OC(=O)c2c(OC)cccc2OC)cc1 34954335 PYAQCORYDKVTBV-SAPNQHFASA-N 432.472 5.218 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@@H]1c1ccc(C(C)C)cc1 40085932 UGZNDINMIWIIFR-DEOSSOPVSA-N 435.564 5.896 30 10 IKEE C=C(C)Cn1c(CCCCCNC(=O)COc2ccc(Cl)cc2)nc2ccccc21 40220496 WBEPTHXECJIBRM-UHFFFAOYSA-N 425.960 5.174 30 10 IKEE COc1cccc(-c2c(C#N)c(SCc3ccccc3Cl)nc3c2CN(C)CC3)c1 40569965 HXMIMYSXHJAVHW-UHFFFAOYSA-N 435.980 5.562 30 10 IKEE CCCNc1ncnc(Nc2cc(Cl)c([C@@H](C#N)c3ccc(Cl)cc3)cc2C)c1N 40688621 LABNVVZVDWOXML-KRWDZBQOSA-N 441.366 5.895 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3cc(OC(=O)c4ccccc4C)cc(C)c3C2=O)c1 41284833 KOBOVKOBMGXGRV-QRVIBDJDSA-N 430.456 5.156 30 10 IKEE Cc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3cccs3)/C(=N\c3ccccc3)S2)c(C)c1 59108903 PNPMPSGIYQASHG-PWKIUMOWSA-N 449.601 5.525 30 10 IKEE Cn1c2ccccc2c2nnc(N/N=C/c3ccc(OCc4ccccc4Cl)cc3)nc21 64981261 MIZOHLOZAWJGDU-VULFUBBASA-N 442.910 5.195 30 10 IKEE C=CCn1nc(S[C@@H](C)C(=O)c2ccccc2)nc1-c1ccc(Br)cc1 72264618 CDOWQHGNEFCRMV-AWEZNQCLSA-N 428.355 5.257 30 10 IKEE CCN1C(=O)C[C@H](C(=O)Nc2ccc(F)cc2)S/C1=N\c1ccc(Cl)c(Cl)c1 100194664 CISYSCXUCXSURH-PWEHGMCJSA-N 440.327 5.113 30 10 IKEE CCCCCCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccc([N+](=O)[O-])c1 101285163 HMLZKWOPDZSXTP-QHCPKHFHSA-N 448.523 5.747 30 10 IKEE COCCCN1C(=O)/C(=C\c2ccc(Br)s2)S/C1=N/c1ccccc1 101631895 HTFUJRNXZFWFNP-ULGZWHSMSA-N 437.384 5.151 30 10 IKEE CCOc1ccc(-c2nc3cc(N/C=C4\C=C(Cl)C=C(Cl)C4=O)ccc3o2)cc1 136529195 MHFDZZXDDZEZAP-WYMLVPIESA-N 427.287 6.017 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccc(C)c(C)c2)c1 169932692 YWZHHQFBWLYWFY-XMMPIXPASA-N 445.490 5.542 30 10 IKEE CCN1C(=S)N[C@H](c2ccc(OCc3cc(C)ccc3C)c(OC)c2)C(C(C)=O)=C1C 169933222 NBFSFLFAQSYCLA-XMMPIXPASA-N 438.593 5.005 30 10 IKEE COc1ccc(-c2csc(N/N=C\c3ccc(OC(C)C)c(Br)c3)n2)cc1 169940399 GQGWQFGCFMAOOL-JJFYIABZSA-N 446.370 5.814 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccc(OC(C)C)c1 169981029 SLFVQPMBAJRASX-DEOSSOPVSA-N 447.531 5.989 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1cccs1)c1cc2ccccc2o1 169985768 CUNJLZBTSMAXNH-FQEVSTJZSA-N 435.888 5.931 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccccc2)cc1 170028820 UMTAQSSNCGFYKK-XMMPIXPASA-N 439.467 5.614 30 10 IKEE CCCCCCCCN1C(=O)C(SCc2ccccc2)=C(c2ccccc2OC)C1=O 170060112 ILYCUXGZAHQXAY-UHFFFAOYSA-N 437.605 6.069 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2ccco2)c1 170093954 YNSCVWZJADRITH-IBGZPJMESA-N 443.377 5.090 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2sccc2C)cc1 170105682 ZNTHMDXOIWKXPD-NRFANRHFSA-N 444.512 5.329 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cc(C)c(OC)cc3C)=C(O)C(=O)N2c2ccccc2)cc1 170113700 QVXIZCKMMKSYFL-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE Cc1ccc(-c2nc(C3=C(N)N(c4cccc(Cl)c4Cl)CC3=O)sc2C)cc1 170179471 VLLDFHOACAUISY-UHFFFAOYSA-N 430.360 5.450 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@H]1c1cccnc1 170195861 PSSSOHBAKGBWEY-HSZRJFAPSA-N 436.552 5.372 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1ccc(Cl)cc1 170236486 DHOCFCUBVKSOPG-NRFANRHFSA-N 425.956 5.934 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 170238510 AEONHIUNPOLJSE-JOCHJYFZSA-N 449.453 5.373 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(F)cc2)cc1C(C)C 170244125 NSLYYTJGDLELDY-QHCPKHFHSA-N 437.511 5.479 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(C(C)C)cc2)c1 170246104 BLOUXZRZLPQYEO-VWLOTQADSA-N 447.575 6.120 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1c[nH]c2ccccc12 170255425 JWQXJLVQMSURRC-DEOSSOPVSA-N 446.547 5.642 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2C)c1 170272373 CEYSLKFWYNRBEK-VWLOTQADSA-N 441.527 5.875 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccco2)cc1 170281045 ROAJLZCPIRVHQL-DEOSSOPVSA-N 445.515 5.975 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC(C)C)cc3)[C@H]2c2ccco2)cc1 170287649 VSADNWXPIABTMA-HSZRJFAPSA-N 431.488 5.406 30 10 IKEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@@H]1c1ccco1)c1cccc2ccccc12 170297410 ZMWLFNISQXCEHI-JOCHJYFZSA-N 435.439 5.092 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccc(C)o2)cc1 170300411 NQRCAALBCIPBBO-HSZRJFAPSA-N 431.488 5.468 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(C)o1 170308392 QTVSJSMKOYMWDO-FQEVSTJZSA-N 443.927 5.469 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)cc2OC)[C@@H]1c1ccc(C)o1 170309877 BJEVLTGPAOFJPP-FQEVSTJZSA-N 447.915 5.027 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(OC(C)C)cc2)cc1 170393297 XFCFXYPYONEFCY-RUZDIDTESA-N 441.527 5.819 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(Cl)c1)c1cccs1 170420550 UZXPHCXYDFYEOQ-LJQANCHMSA-N 443.883 5.025 30 10 IKEE N#Cc1cc(Br)cc(Oc2ccc(Br)cc2Br)c1 227636179 FXGWXBXMSQTKBY-UHFFFAOYSA-N 431.909 5.638 30 10 IKEE O=C(Oc1ccccc1C=Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1Br 252601752 FCOKMKWFLZBPJS-UHFFFAOYSA-N 441.237 5.033 30 10 IKEE COc1cc(C=NNc2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)s2)ccc1O 252611704 ILWWEQVPBZWVPB-UHFFFAOYSA-N 427.835 5.643 30 10 IKEE CC1=NN(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)C1=NNc1cccc(Cl)c1C 252629026 TXCYZWNLXRPLJD-UHFFFAOYSA-N 444.347 5.616 30 10 IKEE Cc1cccc(C)c1NC(=O)C(=NNc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 252636148 XFEOMXUJUXWTTC-UHFFFAOYSA-N 439.437 5.612 30 10 IKEE COc1ccc(N=Cc2ccc(Sc3cccc4ncccc34)c([N+](=O)[O-])c2)c(OC)c1 254301493 OVSQYMFBIHQCPB-UHFFFAOYSA-N 445.500 6.062 30 10 IKEE CC(=O)C(=NNc1cccc(C)c1)Sc1nnc(-c2ccccc2)n1-c1ccccc1 254807946 JBTUNFLRDJYKFS-UHFFFAOYSA-N 427.533 5.349 30 10 IKEE C=C(C)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@]3(C)CC[C@H](O)C(=C)[C@@H]3[C@H](O)C[C@]21C 257545313 SSBVUUVGCIMTCL-YXIDYKPCSA-N 426.685 6.526 30 10 IKEE biogenic Cc1cccc([C@@H]2C(c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 526489904 KLJZQTREPREOMI-JOCHJYFZSA-N 435.310 6.231 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cn(C)c3ccccc23)c1 526518434 XZUGVIBFNYFFRE-VWLOTQADSA-N 435.483 5.116 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(N(C)C)cc2)c1 526606872 PAYIRWUDNKYJFE-VWLOTQADSA-N 439.515 5.080 30 10 IKEE COc1ccc(Br)c([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2C)c1 698476992 ODBJAMOMRXFWRD-IBGZPJMESA-N 431.330 5.773 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C1 724076851 HXIIXCWPCZKKPD-HJPURHCSSA-N 433.524 5.154 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1 920143459 PXMNVBCWCBEHLS-MLGOLLRUSA-N 447.343 5.769 30 10 IKEE Cc1ccc(N=C2S/C(=C/c3ccc(O)c(O)c3)C(=O)N2c2ccc(C)c(C)c2)cc1C 1082990340 MVICUDFZPKLORN-KYITUFADSA-N 444.556 6.140 30 10 IKEE Cc1cc(C=Nc2ccccc2Br)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 1084075990 CMCUZODRQHFLFB-UHFFFAOYSA-N 441.281 5.004 30 10 IKEE C(=NNc1nc(SCCCc2ccccc2)n[nH]1)c1cccc(Oc2ccccc2)c1 1084165640 CXZLHSMDYKIRRF-UHFFFAOYSA-N 429.549 5.768 30 10 IKEE C(=Nc1cc2c3c(c1)[C@@H](c1ccccc1)CCN3CC[C@H]2c1ccccc1)c1cccnc1 1084371203 OBHRBTYPODQXGF-MKPDMIMOSA-N 429.567 6.710 30 10 IKEE Cc1ccccc1/N=C1/c2ccccc2C2=NC(=O)N[C@@](c3ccccc3)(C(F)(F)F)N21 1616017030 QGYNENHHFQBMHD-XWHYSSBWSA-N 434.421 5.274 30 10 IKEE O=C1/C(=C\c2ccco2)SC(=Nc2nc(-c3ccccc3)cs2)N1c1ccccc1 1772735200 HCKKKOBPZTWPPH-SKYIDQJDSA-N 429.526 6.212 30 10 IKEE COc1ccc(/C=C2/SC(=Nc3cccc(C(=O)O)c3)N(c3ccccc3)C2=O)cc1 1772738594 WNLLYWNZXWFMQO-ZOQGDPGVSA-N 430.485 5.202 30 10 IKEE O=C(O)c1ccc(/C=C2/SC(=Nc3ccncc3Cl)N(C3CCCCC3)C2=O)cc1 1772738899 XIHAFWRZBVOGMR-QCIUGURRSA-N 441.940 5.370 30 10 IKEE CON=CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)Nc1cc(Cl)cc(Cl)c1 1848352801 BOCLLYUKPLMBIO-UHFFFAOYSA-N 449.121 5.126 30 10 IKEE C=CCN=c1cc(-c2cc3cnccc3c(NC3CCCCCCCCCCC3)n2)cc[nH]1 1857817184 AAEFGTCYXVUZTC-UHFFFAOYSA-N 443.639 6.797 30 10 IKEE COc1ccc(-n2nc(C(=O)Nc3ccc(C#N)cc3)cc2-c2ccc(C(C)C)cc2)cc1 1859396951 DAZGFFMEPPTADC-UHFFFAOYSA-N 436.515 5.795 30 10 IKEE C=CCN(CC=C)C(=O)[C@H](NC(=O)Cc1cc(Cl)ccc1SCC)c1ccccc1 1861908445 NHYQKDWUMLPSAE-HSZRJFAPSA-N 443.012 5.053 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCc2ccccc2)cc1 1862429954 YONAVJOGWYEWIQ-HSZRJFAPSA-N 431.919 5.469 30 10 IKEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@@H]1c1ccccc1F)c1ccccc1Cl 1862430742 QSXZWJXGJFSFFH-JOCHJYFZSA-N 439.914 5.948 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1Cl 1862451268 ARMHWPHWTGWKQX-GOSISDBHSA-N 438.738 5.881 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccccc1 1862465197 OXORQGONTBVKII-HXUWFJFHSA-N 442.353 5.608 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc2c(c1)CCCN2C 1862482040 IFVRJPIZPDSROU-DEOSSOPVSA-N 432.564 5.146 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc(Br)c1 1862488147 RQUKGVRYQQATIL-LIRRHRJNSA-N 428.326 5.134 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc(Cl)cc2)c1 1862491479 UTGLRZBCDNOHRU-LXBDKUERSA-N 437.967 6.114 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccccc2C)c1 1862508353 ZRDUYOHACQSEPH-VWLOTQADSA-N 443.518 5.838 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccc(O)cc2)cc1 1862531907 DWMNAYPVKMTIGG-HSZRJFAPSA-N 447.918 5.387 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2[C@@H](C)CC)c1 1862582411 DEWMJEYIXODLDM-RNODOKPDSA-N 448.346 5.769 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(C(C)(C)C)cc1 1862610471 LZYCBACHZWOMPW-MWTRTKDXSA-N 449.547 5.132 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2cccc(F)c2)cc1F 1862638057 SNUYLAYBCUMVAE-QHCPKHFHSA-N 449.453 5.060 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc2ccccc12 1862653766 VHLPSGVQAZMGLB-QYBDOPJKSA-N 435.523 6.370 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(OC(C)C)c(OC)c1 1862658464 KPEYOFQPMCTEGY-DEOSSOPVSA-N 445.515 5.234 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2C2CCCC2)c1 1862707293 SOLNFKLUFWOPNT-QHCPKHFHSA-N 435.520 5.005 30 10 IKEE COc1ccccc1C1=C(Nc2ccc(C(C)C)cc2)C(=O)N(c2ccccc2C#N)C1=O 1863065667 ZMWCNGXSDMAMNA-UHFFFAOYSA-N 437.499 5.087 30 10 IKEE COc1ccc([C@@H]2c3ccccc3CCN2c2cc(Nc3cccc(C#N)c3)nc(C)n2)cc1 1868466839 FXGFTHJLDDZFML-MUUNZHRXSA-N 447.542 5.561 30 10 IKEE CCCCCCCOc1cn(CCCOCCCC)c(CNc2ccc(C)cc2)cc1=O 1870830198 HPEGCNWBABLPJH-UHFFFAOYSA-N 442.644 6.325 30 10 IKEE COC(=O)c1ccc(/C=C2\Oc3c(ccc4c3CN(C3CCCCCCC3)CO4)C2=O)cc1 1871349628 UAASLQDYYJITRK-IWIPYMOSSA-N 447.531 5.354 30 10 IKEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)c1 1871389335 QFWVSZYHDHAXJW-QFHNRLETSA-N 440.451 5.394 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3c(ccc(OCCOc4ccccc4)c3C)C2=O)c1 1871397540 XLJPGJXVHBXLMJ-JLPGSUDCSA-N 432.472 5.086 30 10 IKEE Cc1cc(O[C@H](C)C(=O)OC(C)C)cc2c1C(=O)/C(=C/c1ccc(-c3ccccc3)cc1)O2 1871400633 GZZAKNAYLOOLPG-MGKUZBKYSA-N 442.511 5.997 30 10 IKEE C[C@H](Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O)C(=O)Nc1cc(Cl)ccc1Cl 1871402530 VQUQGQPTCBOVAK-XGTDKWECSA-N 444.270 5.609 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCCCOc4ccc(C)cc4)cc(C)c3C2=O)cc1 1871405331 JOBAFBGLWOGQLO-ONUIUJJFSA-N 444.527 6.166 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871410554 DNTQSAWEQHZJGY-WMWHPZEKSA-N 445.490 5.719 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccc(F)cc2)C3=O)c(C)c1 1871414357 TWDLDACWMBYSKK-SMNNTEATSA-N 445.490 5.773 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4cc(Cl)ccc4C)ccc3C2=O)o1 1871414965 YRBGOHHSGIYBKX-QZDMBBGESA-N 437.879 5.572 30 10 IKEE Cc1ccc2oc(=O)cc(COc3ccc4c(c3C)O/C(=C\c3ccncc3)C4=O)c2c1 1871460638 XFRULGSHMHNBBY-FMCGGJTJSA-N 425.440 5.000 30 10 IKEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1cccs1 1871827392 NFVCMECDAPTOEB-FQEVSTJZSA-N 434.627 5.075 30 10 IKEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccccc1CC)S(=O)(=O)c1ccc(Cl)cc1 1872472380 BKEZZGWHGQJNJK-JOCHJYFZSA-N 449.016 5.277 30 10 IKEE Cc1cc(CC(=O)[C@H](C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)ccc1F 1872759305 KBYBCNRXMBEEDX-QFIPXVFZSA-N 426.516 6.344 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 1872769103 JSORGUBNPGSFPM-JSNVTFDYSA-N 443.355 6.405 30 10 IKEE N#C[C@H](C(=O)c1c(Cl)ccc(Cl)c1Cl)c1nc(-c2ccc(F)c(F)c2)cs1 1872779485 KTIRTCYCIRPVOU-SECBINFHSA-N 443.689 6.539 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccc(C)cc2)=C(c2cccnc2)C1=O 1873074376 NIMNLKFPGMULTH-UHFFFAOYSA-N 433.596 5.400 30 10 IKEE CCCCCCCCC(=O)Nc1sc2c(c1C(=O)NCc1cccnc1)CCCC2 1873433398 IBRHNCQUUNKGQG-UHFFFAOYSA-N 427.614 5.641 30 10 IKEE COC(=O)c1nc(-c2cccs2)oc1N/N=C/c1ccc(OCc2ccccc2)cc1 1873463162 BOQRCPXYAKTHNI-ZVHZXABRSA-N 433.489 5.215 30 10 IKEE CCCCCCCCNC(=O)c1cc2c(N(CC)CC)ncnc2n1Cc1ccccc1 1873584196 MEGWIGAVGXVWGW-UHFFFAOYSA-N 435.616 5.416 30 10 IKEE C=CCn1c(C(=O)NCCCCCCCCCC)cc2c(N3CCC(C)CC3)ncnc21 1873594877 FJHYKUBZDAMUHK-UHFFFAOYSA-N 439.648 5.724 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(OCCCCCC)cc1)n2CCCC 1873613090 WUZHVXLPHHUQLQ-UHFFFAOYSA-N 449.599 6.041 30 10 IKEE CSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1ccc(C(C)C)cc1 1874205425 AMBXWMGXTBQBKC-FOKLQQMPSA-N 435.380 5.891 30 10 IKEE C=CCSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1ccc(CC)cc1 1874226526 OZZXNPSRGPIXFF-NLRVBDNBSA-N 434.609 5.629 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccc(OC)cc1 1874230369 GBLSGVZNSKIKPQ-WYMPLXKRSA-N 442.972 5.378 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccc(F)cc1 1874230568 PZAUGKVOSURAJC-BHGWPJFGSA-N 430.936 5.508 30 10 IKEE CCCCC1CCC(c2nnc(SCC(=O)NCCC)n2/N=C/c2cccs2)CC1 1874285214 UXIZCDSZXZWCKL-BUVRLJJBSA-N 447.674 5.304 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccccc2)cc1 1874302848 UBTDVIJMZLBMOI-WPWMEQJKSA-N 446.551 5.581 30 10 IKEE COc1ccc(CCc2nnc(SCc3ccc(C)cc3)n2/N=C/c2ccco2)cc1 1874304909 XIHQXQCRQZSTEU-PCLIKHOPSA-N 432.549 5.148 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1ccc(OCC)c(OC)c1 1874388886 KJAWCZXINATYDW-MFKUBSTISA-N 436.581 5.135 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1cccc(OC)c1OCC 1874389138 IABUOODAXFOCER-MFKUBSTISA-N 436.581 5.135 30 10 IKEE CCCSc1nnc(Cc2cccs2)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874414027 YDKJMWCICPEZIS-HYARGMPZSA-N 430.599 5.111 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SCCC)nnc2[C@H]2CCCO2)cc1OCC 1874449599 GWOSLUOQKNCUHN-HQXXTQMQSA-N 446.617 5.482 30 10 IKEE C=C(C)CSc1nnc(C2CCC2)n1/N=C/c1ccc(OCc2ccccc2)c(OC)c1 1874495535 QAZFSFDMGMWQOS-CVKSISIWSA-N 448.592 5.684 30 10 IKEE COc1ccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C2CC2)cc1O 1874521170 FYLBVTMHCRPGAZ-AUEPDCJTSA-N 449.363 5.351 30 10 IKEE COc1ccc(/C=N/n2c(CCCOc3cc(C)c(Cl)c(C)c3)nnc2SC)cc1 1874542245 QAKSLRADUXHBFZ-ZVHZXABRSA-N 444.988 5.173 30 10 IKEE CCCOc1ccc(/C=N/n2c(S)nnc2CCc2ccccc2Cl)cc1OCC 1874566406 VXMRORDGMVTYJV-BUVRLJJBSA-N 444.988 5.075 30 10 IKEE CCOC(=O)c1ccc(COc2c(/C=C/C(=O)c3cc(C)ccc3C)cccc2OC)o1 1874580583 VGJDGBRYFXPJJJ-ACCUITESSA-N 434.488 5.557 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC)c(OCc3ccc(Cl)cc3Cl)c2)c1 1874594104 SJBDUFDFGHTNAQ-UXBLZVDNSA-N 443.326 6.486 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(C)c(C)c3)c2)cc1 1874701671 FGXGADNYTNJJQO-XNTDXEJSSA-N 428.528 6.136 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OC(=O)COCc1ccccc1 1874702411 PAKOUZHVPPJKJR-JLHYYAGUSA-N 430.500 5.330 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2cccc(OC(=O)CCCSC)c2)cc1Cl 1874717059 XDZSIIMXOUJPFB-CMDGGOBGSA-N 439.360 5.947 30 10 IKEE CC(C)(C)C(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1Br 1875097600 SZEQWXZFUYZKFW-XYOKQWHBSA-N 441.365 6.176 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(OC)c1OC(=O)c1cccc(F)c1 1875104450 YHSZVIDJOHPZQB-OUKQBFOZSA-N 446.474 5.687 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)C(c3ccccc3)c3ccccc3)cc2)cc1 1875112334 COXHJAZEDOOCAT-KGENOOAVSA-N 448.518 6.329 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccccc2OC)cc1OC 1875118039 NIDHMSYVQUWOTN-BUHFOSPRSA-N 430.928 6.129 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1 1875123469 NTPYJUKWHOSEJQ-YRNVUSSQSA-N 427.283 6.117 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1OC 1875123970 MYJHNMWJWHFAEH-GXDHUFHOSA-N 430.491 6.526 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)cc2Cl)cc1 1875146142 GTYLNGTVZGDTSD-BJMVGYQFSA-N 448.902 5.789 30 10 IKEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2Cl)c1 1875155786 TWTQLAHHQMUEPT-NTUHNPAUSA-N 434.919 6.587 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)c1ccccc1C 1875155839 CHGPPONXOLQCNN-NTEUORMPSA-N 448.946 6.896 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)c1ccccc1F 1875166512 KOOUAVIRBBHWBB-FMIVXFBMSA-N 434.463 5.575 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 1875181851 AACSFNRRFIWCIE-LFYBBSHMSA-N 441.310 6.426 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)[C@H]1C1CC1 1880354591 VNBGSGBHOIQDIT-CJFMBICVSA-N 441.572 5.105 30 10 IKEE CC(C)(C)c1cc(CCC(=O)N2CCC(C#N)(c3ccccc3)CC2)cc(C(C)(C)C)c1 1892316210 FKQOZWMVQUYBKT-UHFFFAOYSA-N 430.636 6.298 30 10 IKEE C[C@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1938773805 WZVHXCGLMXUDDC-IVZQSRNASA-N 435.952 5.373 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@H]3[C@H]2CCN3C(=O)OC(C)(C)C)cc1 1949109469 HYHGYQWQDRIGFA-IMWIBFENSA-N 427.545 5.028 30 10 IKEE C=CC[C@H](C)[C@H](NCCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997462225 RUMJUKOWPDJUFZ-KJOQGJGQSA-N 430.633 5.411 30 10 IKEE C=CC[C@H](C)[C@@H](NCCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997462228 RUMJUKOWPDJUFZ-SYVJQLTCSA-N 430.633 5.411 30 10 IKEE Cc1sc(C)c([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)c1Br 2032031413 LLVPRXVJOSFWPV-OAHLLOKOSA-N 427.408 6.262 30 10 IKEE Cc1sc(C)c([C@@H](C#N)N(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)c1Br 2032033465 XCYMXSZZBYGVAE-UONOGXRCSA-N 429.380 5.108 30 10 IKEE N#C[C@@H]1CCCC[C@H]1Nc1cc(Br)c(Br)c(Br)c1 2034338000 BPSDFDDPZQGPLW-QPUJVOFHSA-N 436.973 5.468 30 10 IKEE C=C(C)[C@@H]1CC[C@@]2(C(=O)O)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)C(=O)C[C@@]34C)[C@@H]12 2053639285 NUDCZUBEFGYVSS-NUNNOJOXSA-N 440.668 6.908 30 10 IKEE C=C1CC[C@H](O)CC1=C/C=C1\CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@H](C)/C=C/[C@@](C)(O)C(C)(C)O 2069593927 BPEQZNMKGFTMQE-OBCAOFEWSA-N 428.657 5.871 30 10 IKEE C=C([C@H](N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(C)(C)C 2071357972 SFFBQMBDFCOHNG-SVBPBHIXSA-N 431.576 5.808 30 10 IKEE Cc1nn(C(F)(F)F)c(I)c1-c1cc(C(F)(F)F)ccc1F 2080883213 MMKZEOWXEJTWJI-UHFFFAOYSA-N 438.084 5.097 30 10 IKEE CC(C)(C)OC(=O)N(C[C@H]1CCCO1)[C@@H](C#N)c1ccc(Cl)c(Br)c1F 2097606924 HPNSSPOXCRSWAB-RISCZKNCSA-N 447.732 5.222 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(Nc2ccc(Br)cc2)CC12CCCCC2 2155295488 LXAWXDYWHXBDRS-FQEVSTJZSA-N 434.378 5.467 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](CNc1cc(Br)c(C#N)cc1F)C2 2162289741 NGPGLHALPMQAJK-YOWGUQMCSA-N 438.341 5.050 30 10 IKEE CC(C)N(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1ccc(C#N)cc1Br 2174809892 FWJOZUVAKHUJIB-KRWDZBQOSA-N 436.394 5.325 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)CC1 2259676224 SAXJJALJNKGVGZ-DEOSSOPVSA-N 447.551 5.641 30 10 IKEE Cc1cccc(C(=O)N(Cc2ccccc2)[C@H](C)C(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267601978 FGSKECDTSYMMEU-HXUWFJFHSA-N 435.417 5.371 30 10 IKEE C=CCN1C(=O)C(=Cc2cc(Cl)ccc2OCCOc2cccc(C)c2)SC1=S 2293332630 UFVVHBVWZBYHFY-UHFFFAOYSA-N 445.993 5.493 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)CCCCCCNC(=O)OC(C)(C)C 2296271823 HPKURHUKGQMWCY-FQEVSTJZSA-N 437.422 5.254 30 10 IKEE CN[C@@H](C#Cc1ccc(Br)cc1)CCC(C)(C)CCNC(=O)OC(C)(C)C 2296309733 ZUPOQXXOBJIOPD-IBGZPJMESA-N 437.422 5.110 30 10 IKEE Cc1ccc(CSc2nncn2N=Cc2ccc(OCc3ccccc3)c(Cl)c2)cc1 2318574235 HXVXUFYEBDTFQO-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CC2)cc1 2320889466 CRWXYCPIGYMKDT-UHFFFAOYSA-N 425.001 6.281 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OCc4cc(C)ccc4C)cc(C)c3C2=O)cc1 2321759909 JKJXDYNOKLTWJN-UHFFFAOYSA-N 441.571 6.653 30 10 IKEE Cc1c(OCc2ccc(F)cc2Cl)ccc2c1OC(=Cc1c(F)cccc1Cl)C2=O 2321863028 QCTFWHWDXUDUQX-UHFFFAOYSA-N 447.264 6.775 30 10 IKEE Cc1ccccc1COc1ccccc1C=Nn1c(S)nnc1CCc1cccs1 2321988282 WYRQQGFTRNILHB-UHFFFAOYSA-N 434.590 5.183 30 10 IKEE CCCCC1CCC(c2nnc(S)n2N=Cc2ccc(O)c(Br)c2)CC1 2322106772 OBBWTCXKCCXJIV-UHFFFAOYSA-N 437.407 5.381 30 10 IKEE CCc1ccc([C@@H](C)N2COc3ccc4c(c3C2)OC(=Cc2ccc(C)cc2)C4=O)cc1 2322259894 BYHKLNVHZNCLRM-LJQANCHMSA-N 425.528 6.087 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccccc1Br)C3=O)CN(C1CCCC1)CO2 2322328362 MUBIHFQDPMWGBI-UHFFFAOYSA-N 440.337 5.468 30 10 IKEE COc1cccc(C=CC(=O)c2ccc3ccccc3c2)c1OCc1ccc([N+](=O)[O-])cc1 2322328389 XEDCWIGIVQETBC-UHFFFAOYSA-N 439.467 6.232 30 10 IKEE CCCCC[C@@H](CC)N1COc2c(cc3c(c2C)OC(=Cc2ccc(C(C)C)cc2)C3=O)C1 2322356828 SRYKFCWSVMKXQU-XMMPIXPASA-N 447.619 7.245 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2)c1 2322663044 ZLONXEKHZWWFMF-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE Cc1ccc(C=C2Oc3cc(OC(=O)c4cccc(Br)c4)ccc3C2=O)o1 2322930391 VXYIQCWRWSBKCH-UHFFFAOYSA-N 425.234 5.186 30 10 IKEE COc1cccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)c1OCc1ccccc1Cl 2322968977 GQHKOPPPYRECKW-UHFFFAOYSA-N 448.990 7.430 30 10 IKEE Cc1cc(OC(=O)CCc2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1cccc(F)c1)O2 2323106061 XGWMJRRBJUKLGT-UHFFFAOYSA-N 436.866 5.942 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1ccc(F)cc1 2323379539 MIKBFYWKICHNGI-UHFFFAOYSA-N 447.462 5.946 30 10 IKEE O=C(C=Cc1ccc(OCc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 2323423069 CILMQMTVSSXUCJ-UHFFFAOYSA-N 447.918 6.602 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1 2323536370 PMCWJRYTIRIYET-UHFFFAOYSA-N 431.507 6.082 30 10 IKEE Cc1c(OC(=O)c2cc3ccccc3oc2=O)ccc2c1OC(=Cc1ccc(F)cc1)C2=O 2323569164 DHMYXAJEIYDKIX-UHFFFAOYSA-N 442.398 5.076 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1Cl)NC1CCCCC1 2323790304 KWPPGBXPBOCHGJ-UHFFFAOYSA-N 432.347 5.717 30 10 IKEE COc1ccccc1C=C1Oc2cc(OC(=O)c3ccc(OC(C)C)cc3)cc(C)c2C1=O 2323813336 ZXRYDUINBMVOGM-UHFFFAOYSA-N 444.483 5.626 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OCC(=O)Nc1ccc(C)cc1C 2323813682 RGCOHTJRBIFXMP-UHFFFAOYSA-N 429.516 5.616 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCc3nc(O)c4ccccc4n3)cc2)cc1 2323829491 BSJIGBHQCNPCBF-UHFFFAOYSA-N 426.472 5.209 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OCc1c(F)cccc1Cl 2323865368 SVCBHJVPOVPWKO-UHFFFAOYSA-N 438.926 6.970 30 10 IKEE Cc1cc(O)c(CN(Cc2ccccc2)C(C)C)c2c1C(=O)C(=Cc1ccc(Cl)cc1)O2 2324014824 IIPQFJCGWOENDR-UHFFFAOYSA-N 447.962 6.381 30 10 IKEE CCCCN(CCCC)Cc1c(O)cc(C)c2c1OC(=Cc1ccc(C(C)C)cc1)C2=O 2324077877 QPHIVVJYYSXAPO-UHFFFAOYSA-N 435.608 6.842 30 10 IKEE CCCCCOc1ccc2c(c1C)OC(=Cc1cc(Br)ccc1OC)C2=O 2324266172 XIAREFOGSRQCJH-UHFFFAOYSA-N 431.326 5.951 30 10 IKEE CCCCOC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2324304806 WXAIVWRDIGQGQJ-UHFFFAOYSA-N 442.511 6.000 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OCCCO)c(Br)c1 2324537029 FQNNMVRXHHAXQX-UHFFFAOYSA-N 439.733 5.077 30 10 IKEE Cc1cccc(OCCCOc2ccc3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)c1 2324561754 TVVOPCGCSRMVTI-UHFFFAOYSA-N 429.516 5.525 30 10 IKEE CC(C)(C)c1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 2324623411 RNXSQONSSXSPPC-LJQANCHMSA-N 430.529 5.726 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3cccc(F)c3)c(Cl)c2)c2ccccc12 2324677019 FMFCAQMAMPCCIL-UHFFFAOYSA-N 446.905 7.116 30 10 IKEE CCCCCCOC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc(OCC)cc1)C2=O 2325031482 LSZHUMVDKMCIBW-UHFFFAOYSA-N 438.520 5.512 30 10 IKEE COc1ccc(C)cc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1sccc1C)C2=O 2325121294 ONPLTTKVJPHPIW-UHFFFAOYSA-N 449.528 5.316 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2c(c1C)OC(=Cc1ccc(C(C)C)cc1)C2=O 2325198485 BAEUXTGPEDNFSX-UHFFFAOYSA-N 435.564 5.762 30 10 IKEE CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2sccc2C)C3=O)cc1 2325424701 RIVMJRAIOCOVTO-MRXNPFEDSA-N 447.512 5.281 30 10 IKEE COc1ccc(C)cc1NC(=O)CCOc1ccc2c(c1C)OC(=Cc1ccc(C)o1)C2=O 2325471645 NLXDSICMYAICQJ-UHFFFAOYSA-N 447.487 5.237 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1cccc(C=CC(=O)c2ccc3c(c2)CCCC3)c1 2325701669 MHRGDFIMABDHPN-UHFFFAOYSA-N 442.511 5.698 30 10 IKEE COc1ccccc1C(=O)C=Cc1cccc(OC(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)c1 2325724086 AETCYNMTMRUPSL-HXUWFJFHSA-N 444.527 6.088 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl 2325737855 ZTEXAEFSCBDZCO-FGZHOGPDSA-N 446.930 6.262 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OC(=O)Cc1ccc(Cl)cc1 2325741011 XCNMQLOVNKTWMD-UHFFFAOYSA-N 438.882 5.840 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1OC(=O)CCc1ccccc1 2325746041 MYDQQIYIVBGSOD-UHFFFAOYSA-N 442.555 6.427 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cccc(Cl)c3)c2)cc1F 2325748242 WCSOOOZDRAREFU-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE CCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1N=Cc1ccc(C)cc1 2325817477 JNFKTSAKIUCCTM-UHFFFAOYSA-N 438.597 5.466 30 10 IKEE CCCSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1ccccc1C 2325965263 XSQBNNQYMQLKIY-UHFFFAOYSA-N 429.387 5.324 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1N=Cc1cccc(OC(C)C)c1 2326272627 BLMFHWFGPSATLT-UHFFFAOYSA-N 426.561 5.722 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1cccc(C)c1 2326322772 WNKBDXAIBFUEMI-UHFFFAOYSA-N 434.609 5.711 30 10 IKEE C=C(C)CSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1ccc(O)cc1 2326388679 IRAMMZOCLIDSFJ-UHFFFAOYSA-N 436.581 5.163 30 10 IKEE CCOc1cc(C=Nn2c(Cc3cccc4ccccc34)nnc2SCC)ccc1O 2327743912 GTXDUSHAWZRPFU-UHFFFAOYSA-N 432.549 5.121 30 10 IKEE Fc1cccc(C=Nn2c(CCCOc3ccccc3)nnc2SCc2ccccc2)c1 2328744564 QWOSHPNVVJVHCP-UHFFFAOYSA-N 446.551 5.603 30 10 IKEE Cc1ccc(C)c(CSc2nnc(COCc3ccccc3)n2N=Cc2cccn2C)c1 2329342973 GBZFKDQCIRGHMV-UHFFFAOYSA-N 445.592 5.125 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2N=Cc2ccccc2F)c1 2329405506 RUKOENBPJPDESO-UHFFFAOYSA-N 444.579 6.108 30 10 IKEE Cc1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2[C@H](C)c2ccccc2)cc1 2330075692 IHYMZVRAHGCEBQ-OAQYLSRUSA-N 426.589 6.221 30 10 IKEE CSc1nnc(-c2cccs2)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2330522037 ZCWRJNQMRQCDIK-UHFFFAOYSA-N 440.981 5.843 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)ccc1OC(=O)Cc1ccccc1Cl 2330763081 QFOXLQYPPDSONR-UHFFFAOYSA-N 448.946 6.345 30 10 IKEE CC(C)(C)Cc1nnc(SCc2cccc(Cl)c2)n1N=Cc1c[nH]c2ccccc12 2330873232 XMTUJMHLIJVDHB-UHFFFAOYSA-N 438.000 6.176 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OC(=O)c1ccccc1OC 2331101116 HCTWTEPUKHPYEN-UHFFFAOYSA-N 438.426 5.487 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)c1cncc(C)c1 2331105292 ZZCCFPQPMSDSCM-UHFFFAOYSA-N 449.453 5.521 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)c1ccccn1 2331156168 ZLIIJEWGEZSYHU-UHFFFAOYSA-N 433.891 5.587 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCc3cccc4ccccc34)nnc2-c2ccco2)c1 2331218635 RJQMAGAXWLGMEB-UHFFFAOYSA-N 440.528 5.880 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CCOc3ccccc3)cc2)cc1 2331295694 SQEPLBMNRANDBX-UHFFFAOYSA-N 430.500 5.746 30 10 IKEE COCCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1cccc(F)c1 2331307143 KOFOKCLODOUERW-UHFFFAOYSA-N 439.343 5.087 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)COc3ccc(Cl)c(C)c3)cc2)ccc1F 2331332893 ZDEMZIOPOLWIRK-UHFFFAOYSA-N 438.882 5.976 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)Cc1ccc(C)cc1 2331344553 VNDAZCJSHLHCHA-UHFFFAOYSA-N 432.491 5.885 30 10 IKEE Cc1cccc(C)c1NC(=O)CSc1nnc(C(C)C)n1N=Cc1ccccc1Cl 2331696034 DZSBLYCBHHBINU-UHFFFAOYSA-N 441.988 5.285 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3ccccc3)c(Cl)c2)cc1C 2331706431 PFVHXRIQTVSHID-UHFFFAOYSA-N 448.946 6.618 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC(=O)c1ccc(N(C)C)cc1 2331709567 KTVLZOMWASXYRV-UHFFFAOYSA-N 443.543 5.883 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H](Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C(C)(C)C 2339606014 LLQRIJVAYWPHSV-GOSISDBHSA-N 446.397 5.044 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCC[C@]23C[C@H](CO2)[C@H]13 2354174028 YELXVXBRTUWLFQ-HZNDTHDVSA-N 433.346 5.042 30 10 IKEE O=C1SC(SCc2ccccc2)=N/C1=C/c1cc2c(cc1Br)OCO2 2834952 NFIXVZHXHDRPSR-MKMNVTDBSA-N 434.336 5.082 30 10 IKEE O=C1CCCC2=C1[C@@H](c1ccccc1Cl)n1nc(SCc3ccc(F)cc3)nc1N2 9597401 YJIAKZCIYDVBLB-HXUWFJFHSA-N 440.931 5.385 30 10 IKEE CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 21234311 CFMRBVOUGVLRKP-NFBKMPQASA-N 429.604 6.286 30 10 IKEE COc1cc(/C=C/C(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)ccc1OCC#N 24877358 YSUDUOILUHHWBS-HSBSSIIGSA-N 438.483 5.263 30 10 IKEE O=C1N/C(=N\N=C\c2ccc(-c3ccccc3Cl)o2)S[C@@H]1Cc1ccccc1Cl 26920630 WJEWVKMDDYAUOL-QVHMZZSFSA-N 444.343 5.418 30 10 IKEE O=C1/C(=C\c2ccco2)S/C(=N/c2nc(-c3ccccc3)cs2)N1c1ccccc1 39865955 HCKKKOBPZTWPPH-YJECAWTJSA-N 429.526 6.212 30 10 IKEE Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1sc(=S)c2c(c1C#N)CC[C@@H](C)C2 41011200 NFNCKNFFGCQVRB-YPMHNXCESA-N 432.998 5.842 30 10 IKEE O=C(Nc1ccccc1)c1c(/N=C/c2cc(Cl)cc(Cl)c2O)sc2c1CCCC2 59198936 IICMPNWGCQTDEI-BRJLIKDPSA-N 445.371 6.642 30 10 IKEE CCCCCOc1ccc(/C=N/Nc2nnc3c4ccccc4n(CCC)c3n2)cc1OC 64981371 VAOPSLLNIKXKBQ-YZSQISJMSA-N 446.555 5.413 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)S/C1=N/c1nc(-c2ccccc2)cs1 101130593 ZSAUFYFJTSZHMY-ZOVWXIRQSA-N 448.529 5.508 30 10 IKEE CCCCCCCCCCCCN1C(=O)C2(OCCCO2)c2c(Cl)ccc(Cl)c21 101326351 FGUMIMOKPJJEQC-UHFFFAOYSA-N 442.427 6.851 30 10 IKEE Cc1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(Cl)cc2)cc1 102588777 SIZHNAVGSGBRMV-SADKCHQCSA-N 448.862 5.183 30 10 IKEE O=C1C(=O)N(c2cccc(Br)c2)[C@H](c2ccccc2)/C1=C(/O)c1ccccc1 102904692 RTKMTWAHZZSDBE-GOBJLOIFSA-N 434.289 5.075 30 10 IKEE CCCCCCCCOc1ccc(/C=N/n2nnnc2Nc2cccc3ccccc23)cc1 103751518 NLZRCGVZNLNJOB-NHFJDJAPSA-N 442.567 6.191 30 10 IKEE CCCCCCCCc1cc(CCCCCCCC)c(O)c(CCCCCCCC)c1 111878220 TXLUGDNIWJVCEX-UHFFFAOYSA-N 430.761 10.101 30 10 IKEE CCCN1C(=S)N[C@@H](c2cc(Cl)c(OC(C)C)c(OCC)c2)C2=C1CCCC2=O 169930015 HYHKPFYXEPBQNX-FQEVSTJZSA-N 437.005 5.174 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@@H](c2cccc(OCc3ccc(Cl)cc3)c2)NC(=S)N1 169938390 XBKWPZSTIIPXOK-HSZRJFAPSA-N 448.975 5.595 30 10 IKEE COc1ccc(/C=N\Nc2nc(-c3ccc(C)cc3)cs2)c(Br)c1OC 169942329 XBLGQLZFIQDNOD-FBHDLOMBSA-N 432.343 5.344 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(OC(C)C)cc2)c1 169979199 SVMFHFWUHQUBAC-XMMPIXPASA-N 449.547 5.393 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2cccs2)cc1 169984369 QBDNOXURDVLGQI-HXUWFJFHSA-N 439.920 5.501 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccncc2)c1 170016488 WNUGZAPYYMBHAL-DEOSSOPVSA-N 426.516 5.605 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccncc2)cc1 170016503 RLRJMQTTWYBICR-DEOSSOPVSA-N 438.483 5.734 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(O)c(Cl)c1)c1ccc(F)cc1 170042171 HUNOPOYAAIWQNR-HXUWFJFHSA-N 429.875 5.096 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 170051944 QCRGFZCHLGKVDJ-NRFANRHFSA-N 448.862 5.340 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(F)cc2)ccc1F 170065329 DPFVDANYSBMNME-QFIPXVFZSA-N 437.417 5.191 30 10 IKEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4ccc5ccccc5c4)[C@@H]3c3ccco3)nc2c1 170098598 KLNUOTQQKHHGTB-QHCPKHFHSA-N 449.466 5.400 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2sccc2C)c(C)c1 170106082 SOZNEHBQPDFUGA-QFIPXVFZSA-N 447.556 5.773 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1cccc(C)c1 170140510 FQNWJRSHTOINPC-HSZRJFAPSA-N 445.490 5.542 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccn2)c1 170179212 FPSHSDFWSGDYJY-QHCPKHFHSA-N 434.536 5.027 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)cc(Cl)c2OC)[C@@H]1c1ccc(F)cc1 170243416 FHYRVGYTAUDBDM-KRWDZBQOSA-N 438.282 5.129 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccccc1F)c1cccc2ccccc12 170251129 VSZHZRQCSNYHDQ-XMMPIXPASA-N 438.458 5.152 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2C2CCCCC2)cc1 170266599 DFGXPWXUUIAZFE-JOCHJYFZSA-N 434.492 5.068 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1ccc(CC)cc1 170267773 DMIFTNUONXCUPY-QFIPXVFZSA-N 437.923 6.027 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@H]2c2ccc(C)o2)cc1 170309346 WOQOUONYZARADG-QFIPXVFZSA-N 425.525 5.535 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@H]2c2sccc2C)cc1 170318749 NVLLWYYXHAKKHD-OAQYLSRUSA-N 441.593 6.004 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@H]1c1cccc(OCCC)c1 170323425 HECCKRUAZFXIQM-XMMPIXPASA-N 449.547 5.179 30 10 IKEE COc1cccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)c1 170431002 DPSVNAJRBRXXFA-HXUWFJFHSA-N 433.426 5.229 30 10 IKEE CCOc1cc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2cc(Cl)ccc2C)ccc1O 170464403 WGYPKZXHFMTTNO-QFIPXVFZSA-N 443.927 5.268 30 10 IKEE O=S1(=O)CSC(=NC(=S)N(c2ccccc2)c2ccccc2)N1c1ccccc1 263610574 WHFLLSDSNHZKAX-UHFFFAOYSA-N 439.587 5.006 30 10 IKEE CCCCCCCCCCCCSCC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 312137110 JDSAJUFKIVZLID-JOCHJYFZSA-N 437.646 6.410 30 10 IKEE C[C@@H]1[C@H](C#CC(C)(C)C)C[C@H](N(C=O)C2CCCCC2)C[C@H]1OC(=O)c1cccs1 409421809 FQCBDXRDFJWTSI-KRXUUXHPSA-N 429.626 5.529 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Cl)cc2C)cc1O 526744520 OQGIBELMQRZZLW-QFIPXVFZSA-N 449.890 5.146 30 10 IKEE CC(=O)Nc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)c1 526772408 IFOVRUVLPRQAQG-QFIPXVFZSA-N 446.890 5.081 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccc(C(=O)O)cc2)cc1 526805017 DCSXJLBCDHWTRV-QQXSKIMKSA-N 442.544 5.050 30 10 IKEE CCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1ccc(OC)c(OC)c1Cl 526810093 WYJXWQMEGFSXBX-MSXFZWOLSA-N 444.988 5.302 30 10 IKEE CCOc1ccc(/C=N\n2c(CC)nnc2SCc2cccc(Cl)c2)cc1OCC 526811272 GSMAGXUJBCCJGF-OYKKKHCWSA-N 444.988 5.466 30 10 IKEE Cc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccc(C(F)(F)F)cc1 526817485 NYZAKSIDPBBCGA-OPVMPGTRSA-N 428.842 5.572 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3)n2/N=C\c2sccc2C)c1 526819860 MKJATZOQCUHCJS-MYYYXRDXSA-N 432.618 6.030 30 10 IKEE CCCCCCCCc1ccc(C(=O)C[C@@H](Nc2cc([N+](=O)[O-])ccc2O)C(=O)O)cc1 606655929 IDWLPPOQNBFSSF-OAQYLSRUSA-N 442.512 5.342 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1cnn(C(C)(C)C)c1 698453707 VUHLINZRGXUMMG-KRWDZBQOSA-N 433.350 5.407 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@@H](C#N)c1ccc(F)c(Br)c1 698956949 LPYTZCMIBGFJCE-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCc3c(Br)cccc32)cc1 710779177 VOIVAWZQVJCILC-JOCHJYFZSA-N 427.342 5.864 30 10 IKEE C=C1CCC(C[C@H](N)CC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)CC1 724554125 TXBNGTNXCZVXJK-DEOSSOPVSA-N 441.660 5.400 30 10 IKEE CC(=NNc1nc(SCCCCOC(=O)C(C)(C)C)n[nH]1)c1ccc2ccccc2c1 1084375215 ICBXFHMSYTUHAK-UHFFFAOYSA-N 439.585 5.256 30 10 IKEE C[C@@H]1C/C(=N/c2ccc(F)cc2)c2cc(F)ccc2N1C(=O)c1cc(Cl)cc(Cl)c1 1615950683 WJWBTMQRHMJQCL-AODVPYLJSA-N 445.296 6.831 30 10 IKEE C=CCN(CC(=O)Nc1nc(-c2ccccc2)c(C(C)C)s1)Cc1ccc(OC)cc1 1652321953 IVYAFJHXKZKTHA-UHFFFAOYSA-N 435.593 5.569 30 10 IKEE COc1ccc(C)cc1NC(=O)[C@@]12CC[C@@](C)(C(=NOC(=O)c3ccc(C)cc3)C1)C2(C)C 1772722698 PJGBTHINWVTGOE-RRPNLBNLSA-N 448.563 5.680 30 10 IKEE C[C@H](CCC=O)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O[C@@H]5CCCCO5)CC[C@]4(C)[C@H]3CC[C@@]21C 1848440633 OPWKMRIKPKJGNX-WBXFJQBASA-N 442.684 7.092 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccc2OCC(=O)OCCCCC)c1 1858729392 CRESNEGHSUWUFL-UHFFFAOYSA-N 439.556 5.284 30 10 IKEE CC[C@H](C)N(C(=O)c1ccc(Cl)cc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1859898967 BLEUYNXVSCGGDI-JTQLQIEISA-N 441.774 6.962 30 10 IKEE CCCCCCCCCNC(=O)Cc1c(C)c2cc3c(C(C)(C)C)coc3cc2oc1=O 1860273505 WYGLJTIKHUDYEP-UHFFFAOYSA-N 439.596 6.554 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)c1cc2ccccc2[nH]1)c1ccccc1 1861390887 KIXFSFCRHWUZED-RUZDIDTESA-N 433.596 5.896 30 10 IKEE N#Cc1ccc(NC(=O)c2cc(CCc3ccccc3)n(-c3cccc(Cl)c3)n2)cc1 1862330252 VNDCLVLRZCLIPT-UHFFFAOYSA-N 426.907 5.435 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2cccc(C)c2)cc1 1862389213 AOMCOSONBZHGCM-KHMOSXFSSA-N 445.603 6.495 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2cccc(C)c2)cc1 1862390156 WYQVOPZVEPXVDI-RUZDIDTESA-N 448.607 5.258 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc(Cl)cc2Cl)cc1C 1862408264 IJDRBMJNNVINAN-FQEVSTJZSA-N 448.346 5.545 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1cccc(OCC)c1 1862417962 BSNHTVZJNOJPPS-JOCHJYFZSA-N 443.490 5.522 30 10 IKEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(O)cc2)cc1 1862474692 RXGACYLMLVXZGL-BXKMTCNYSA-N 443.499 5.049 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1862477566 ZFUMQFIGBASWDN-WMZHIEFXSA-N 437.536 5.343 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2ccc(C(C)C)cc2)c1 1862493477 QKJNISPCBOPJRD-XMMPIXPASA-N 435.564 5.168 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2c(Cl)cccc2Cl)cc1 1862538082 CUSCNXZWBLBKDW-FQEVSTJZSA-N 432.347 5.790 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccc(O)cc1)c1ccc2c(c1)CCCC2 1862544892 NPPPMPNJDKUBRI-RUZDIDTESA-N 445.559 5.572 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)c1 1862564292 WRENGSZZPWZVRW-OZWPHOJSSA-N 448.563 5.215 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CCC(C)C)cc1 1862579921 BYFWKIVAJMOUPM-HXUWFJFHSA-N 432.347 5.926 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(C(=O)O)cc1 1862583111 SXKVEBHGFSCGSC-BBATYDOGSA-N 448.302 5.068 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)c1 1862598059 QXRRUCATQGNGAX-BXKMTCNYSA-N 443.499 5.130 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)cc1 1862660684 OSLMYCXNILMWIU-BFMBIBTESA-N 431.576 6.275 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 1862661981 YPBZRQQYBKMNPH-XMMPIXPASA-N 426.516 5.292 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2cccc(F)c2)cc1 1862662300 GTYRIMRTUKVCIP-HSZRJFAPSA-N 449.547 5.832 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cccc(C)c2)c1 1862676638 NVCHBQLIQWJSME-DEOSSOPVSA-N 445.490 5.311 30 10 IKEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1 1862712829 APGGWBDSMWUUCW-VWLOTQADSA-N 442.559 5.150 30 10 IKEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2cccc(O)c2)cc1 1862732768 LASDZACKLFVBDX-DEOSSOPVSA-N 449.547 5.482 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1c(Cl)cccc1Cl 1862744764 UNDCSLLPFVGQIZ-ADLMAVQZSA-N 449.290 5.278 30 10 IKEE COc1ccccc1C1=C(Nc2ccc3ccccc3c2)C(=O)N(c2cccc(C#N)c2)C1=O 1863059673 AAKUQEWTEVIJAX-UHFFFAOYSA-N 445.478 5.117 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(C)c(C)c2)C1=O 1863254325 WZRAHMNCCVCOQD-QHCPKHFHSA-N 429.564 5.726 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(F)cc2)C(=O)N(CCCOC(C)C)C1=O 1863505590 KDBZDINJYCCQGJ-UHFFFAOYSA-N 446.607 5.451 30 10 IKEE CC[C@@](C)(NC(=O)C[C@@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866743691 FBFNITCKYCJMSS-SHQCIBLASA-N 433.596 5.735 30 10 IKEE CC[C@@H](C(=O)N[C@@H](C(=O)Nc1ccc(C#N)cc1)c1ccccc1)c1ccc(Cl)cc1 1866953407 ZILUGEHZXQRXBM-DHIUTWEWSA-N 431.923 5.201 30 10 IKEE CCCc1nc(Nc2ccccc2C#N)cc(N2CCO[C@H](c3cccc(Cl)c3)C2)n1 1868398889 RZVHGRBMAUCIOF-NRFANRHFSA-N 433.943 5.276 30 10 IKEE Cc1nc(SCc2cc(=O)c(OCCC(C)C)cn2CCC(C)C)c(C#N)c(C)c1C 1870234250 FEZGOWKKTPELGP-UHFFFAOYSA-N 441.641 5.804 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCCCOc2ccccc2)cn1CCC(C)C 1870317468 OEIVIPFGUOMSBB-UHFFFAOYSA-N 438.612 5.306 30 10 IKEE CCCCCCCOc1cn(CCCCCC)c(CNc2ccc(F)c(F)c2)cc1=O 1870839655 VTAHEODXQGAVHV-UHFFFAOYSA-N 434.571 6.668 30 10 IKEE CCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CNc1ccc2c(c1)OCO2 1871058592 IOCOQEDWIGJCMV-UHFFFAOYSA-N 440.584 5.895 30 10 IKEE CCCCCCCCN=c1[nH]c(Nc2ccc(OCc3ccccc3)cc2)ncc1[N+](=O)[O-] 1871307605 QEZCMCZQRXAKNC-UHFFFAOYSA-N 449.555 5.902 30 10 IKEE Cc1cc(OCCCc2ccccc2)cc2c1C(=O)/C(=C/c1cccc(Br)c1)O2 1871399445 KRRLKHMAHBGJDE-HAHDFKILSA-N 449.344 6.385 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(C)c(C)c1)[C@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1871910895 MGIBKVALMAFIIC-KOSHJBKYSA-N 442.625 5.150 30 10 IKEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1872083301 BUMDNRGYZPYMJN-QHCPKHFHSA-N 442.625 5.158 30 10 IKEE C=C(C)CN([C@@H](C)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1ccc(Cl)cc1 1872213554 QBLYNPJVNGFYMQ-KRWDZBQOSA-N 449.016 5.232 30 10 IKEE C=CCN([C@@H](CCC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872511087 GPSUKDAXQZUDID-QHCPKHFHSA-N 442.625 5.213 30 10 IKEE N#C[C@@H](C(=O)Cc1ccc(Cl)cc1)c1nc(-c2ccc(Br)cc2)cs1 1872765141 IKFXJTLWWJIKQQ-INIZCTEOSA-N 431.742 5.645 30 10 IKEE COc1cc(-c2csc([C@H](C#N)C(=O)Cc3ccc(C)cc3)n2)c(OC)cc1Cl 1872780420 IAIWEBTWLHXABU-MRXNPFEDSA-N 426.925 5.208 30 10 IKEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)cc1C 1872784844 YUJXOFDNLLQNMQ-KRWDZBQOSA-N 436.449 5.042 30 10 IKEE Cc1sc([C@@H](C#N)C(=O)CN2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccc(Br)cc1 1872801255 ZSIKHUBBLHMTJC-IYOUNJFTSA-N 446.414 5.035 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(OCC)c2)=C(c2cc(C)ccc2C)C1=O 1873394691 CMDXVJHUNQYRCG-UHFFFAOYSA-N 448.607 6.255 30 10 IKEE C=CCNC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(C(C)C)cc2)sc2c1CCCC2 1873442839 RNTKNCGUAAZLJD-INIZCTEOSA-N 426.582 5.072 30 10 IKEE N#Cc1nc(-c2ccc(Br)o2)oc1N/N=C/c1ccc(Cl)c(Cl)c1 1873462220 TZSZHOQZLAFVPT-IFRROFPPSA-N 426.057 5.322 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)cc2C)cc2c(NCCCCCCCC)ncnc21 1873621262 NGYDMWKAJLEKHI-UHFFFAOYSA-N 433.600 6.259 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C(C)(C)C)c2)cc2c(N3CCC[C@H](C)C3)ncnc21 1873657562 IAFFYDNMZVJJAX-SFHVURJKSA-N 431.584 5.403 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1ccco1 1874196848 FRESHMNYXJUXBM-PCLIKHOPSA-N 432.549 5.586 30 10 IKEE CSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1ccc(N(C)C)cc1 1874198181 QVLCVGRSJVTXRQ-NLRVBDNBSA-N 445.592 5.113 30 10 IKEE CCc1ccc(OCCCc2nnc(SC)n2/N=C/c2ccc(Cl)cc2Cl)cc1 1874223393 JQMCPDZONDKNQX-ZVHZXABRSA-N 449.407 5.763 30 10 IKEE CCCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc(O)c(OC)c1 1874232556 OJSQWZFYBFSSMV-YZSQISJMSA-N 446.576 5.315 30 10 IKEE Cc1ccc(OCCCc2nnc(SCc3ccccc3C)n2/N=C/c2ccco2)cc1 1874251855 YPLAVOGGTKZQML-YZSQISJMSA-N 446.576 5.674 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2sccc2C)cc1C 1874320338 LYYGPVNGXWZSEX-AFUMVMLFSA-N 448.617 6.018 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1c(F)cccc1Cl 1874342157 BPXOYMXXPRQBOG-BHGWPJFGSA-N 435.355 5.865 30 10 IKEE C=CCSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1ccc(Cl)cc1Cl 1874359466 INLNGJVKBPOYQP-ZMOGYAJESA-N 431.392 5.953 30 10 IKEE Cc1cccc(/C=N/n2c(SCC(=O)OCC(C)C)nnc2-c2ccccc2Cl)c1 1874368257 RDCWOXFBDLKRCF-WYMPLXKRSA-N 442.972 5.080 30 10 IKEE Fc1cccc(CSc2nnc(C3CCCC3)n2/N=C/c2c(F)cccc2Cl)c1 1874454359 FHBDTUZMUDLUAZ-BRJLIKDPSA-N 432.927 6.042 30 10 IKEE O=[N+]([O-])c1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2)nnc1-c1ccco1 1874468570 NUMFLTLXBPUGPQ-WSDLNYQXSA-N 439.884 5.274 30 10 IKEE CC(C)Cc1nnc(S)n1/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 1874559390 OTAPUUMSZUKEKH-FOKLQQMPSA-N 435.380 5.533 30 10 IKEE CC(C)(C)c1cc(/C=N/n2c(S)nnc2COc2ccccc2)cc(C(C)(C)C)c1O 1874561545 WSWADORIRAHMNJ-AFUMVMLFSA-N 438.597 5.329 30 10 IKEE Cc1ccc(COc2ccc(Br)cc2/C=C/C(=O)c2ccc(C)cc2C)cc1 1874578708 CKBIRNFGAAJFDR-FMIVXFBMSA-N 435.361 6.849 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccccc2OCc2c(F)cccc2Cl)c1 1874580708 CFVNNIYKIYRCLF-ZRDIBKRKSA-N 426.871 5.971 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cccc(OCc3cccc(Cl)c3)c2)c1 1874599537 QYZDMQTXMBECGY-ACCUITESSA-N 436.935 6.613 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1Cl 1874602195 YXOHJYQPKODUTM-CSKARUKUSA-N 444.915 5.172 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 1874604782 FKEXKAJNEYHACN-MHWRWJLKSA-N 443.543 5.870 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OCc3ccccc3Cl)c([N+](=O)[O-])c2)ccc1F 1874618609 KDGHKGHILZWNRH-UXBLZVDNSA-N 425.843 6.171 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2cccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)c2)c1 1874698010 HARKPIMWIRTEJV-XNTDXEJSSA-N 445.471 5.564 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(OC)cc3OC)c2)cc1 1874701177 FWDWWUSXPGHZGY-OVCLIPMQSA-N 446.499 5.147 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccccc3)c2)c(OCC)c1 1874714615 FVGXHUPNBAUTSA-RVDMUPIBSA-N 446.499 5.608 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2ccc(F)cc2)CSc2nnc(CC(C)C)n21 1874886314 COWNICWLHMEIDL-HXUWFJFHSA-N 432.609 5.678 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1 1875137250 CYPKKLCBVRAXIM-XDHOZWIPSA-N 436.507 6.744 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)c1cnc(C)cn1 1875139837 CKPYUSTWVIFFCG-ZHACJKMWSA-N 442.515 5.254 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)cc3F)cc2)c1 1875145370 JHDSRZQTOMSUFR-VZUCSPMQSA-N 438.426 5.026 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3ccc(/C=C/C(=O)c4cccc5ccccc45)cc3)c(C)c2c1 1875154064 MHQYAMBRQVQQTG-GHRIWEEISA-N 445.518 7.053 30 10 IKEE Cc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc4ccccc34)cc2Cl)c1 1875154274 WOIUOODWSGCHSS-WYMLVPIESA-N 426.899 6.917 30 10 IKEE C[C@@H](C(=O)Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1Cl)c1ccccc1 1875155177 PQRQYIVLCPCIOF-JRJUITNWSA-N 440.926 7.098 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(F)c3)cc2Cl)c1 1875162178 AXDMVIKTCLJMJK-UXBLZVDNSA-N 442.845 6.132 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OC(=O)CC(C)C 1875165455 YOWAPDPVLGADKH-PKNBQFBNSA-N 438.564 6.373 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)Cc1cccs1 1875183609 KBQSRWQHOUKAFI-CSKARUKUSA-N 434.557 6.116 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N1CCCC1)n2CC(C)C 1875209146 CJQOJXDRLDXAAM-UHFFFAOYSA-N 427.637 5.876 30 10 IKEE C=CCCOc1ccc([Sn](CCCC)(CCCC)CCCC)cc1 1885688190 WSILKOPCTUYDLG-UHFFFAOYSA-N 437.256 6.698 30 10 IKEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)Nc3ccc(Oc4ccccc4C)cc3)n[nH]2)c1C 1890919531 JMWCGZFWKDCJAY-UHFFFAOYSA-N 441.535 5.819 30 10 IKEE COCc1ccc(CN(C(=O)OC(C)(C)C)[C@@](C)(C#N)COCc2ccccc2)s1 1902475982 PAXNOCZZTOPDGJ-QHCPKHFHSA-N 430.570 5.131 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1944587202 BECFRQMYJIFXJN-MWTRTKDXSA-N 449.979 5.669 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 1949123730 WQBBCCGGHWBNMQ-IMWIBFENSA-N 433.593 5.238 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@@](C)(NC(=O)OC(C)(C)C)C1CCC1)NCCC 2013736604 YKZUDJPLXITQAU-ZEQKJWHPSA-N 430.633 5.601 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)C1CCC2(CC1)CC(NC(=O)OC(C)(C)C)C2 2040321751 JHYMOVRQJWCJKK-GTZHCMPFSA-N 442.644 5.601 30 10 IKEE COc1ccc(Cl)cc1N1C(=O)C(=Cc2sccc2C)N=C1SCCCC#N 2040419814 LYZNASZRFWIKSW-UHFFFAOYSA-N 431.970 5.499 30 10 IKEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2045241450 RRKPPOJFRNQWLZ-XDHUDOTRSA-N 447.551 5.497 30 10 IKEE CCCCCCCC[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071327509 GDEBMYMSDVHGIZ-MHZLTWQESA-N 432.604 7.629 30 10 IKEE CC(C)(C)c1nn(Cc2ccc(F)c(C(F)(F)F)c2)c(C(F)(F)F)c1Br 2079137454 ASMHNKWJEABAKU-UHFFFAOYSA-N 447.192 6.168 30 10 IKEE Cc1ccc([C@H](C(C)C)n2nc(C3CC3)c(C#N)c2I)c(F)c1F 2079892659 DAXDWFSBMOQZKF-KRWDZBQOSA-N 441.263 5.069 30 10 IKEE CC[C@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(C)C)c(C=NO)c1Br 2079896229 GDELBTMPXCZBMK-CQSZACIVSA-N 436.247 5.734 30 10 IKEE CCCCC#CC[C@@H](NCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2083430543 KVOXBTSPDDJDSU-SQHAQQRYSA-N 442.644 5.392 30 10 IKEE CN(CCN(Cc1ccccc1)[C@H]1CCC(C)(C)[C@@](C#N)(NC2CC2)C1)Cc1ccccc1 2099187744 FTUXWCBPIYKTGM-LMSSTIIKSA-N 444.667 5.214 30 10 IKEE CCCCCCCCCCC[C@@H](O)c1scc(Br)c1Br 2152524824 XGDCMTXMPKJDHO-CQSZACIVSA-N 426.258 7.227 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)C1([C@H]2CCCCO2)CC1 2164398157 LOEHABSVVUUOCM-QZTJIDSGSA-N 435.362 5.432 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(F)cc(F)cc1Br 2225594618 CFFREHNSCFHHKC-RDJZCZTQSA-N 433.337 5.237 30 10 IKEE CCC[C@@H](CCNC(=O)OC(C)(C)C)CCC(=O)C#Cc1ccccc1Br 2235719115 FMUXOAJIEBUBKS-QGZVFWFLSA-N 436.390 5.481 30 10 IKEE CC(C)[C@H](CCNC(=O)OC(C)(C)C)CC[C@H](O)C#Cc1ccccc1Br 2235740249 NNBBYMALGRGIHM-HKUYNNGSSA-N 438.406 5.129 30 10 IKEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)[C@H](C)C(C)C 2247915820 KEBHSEWPTFSVSL-QGZVFWFLSA-N 427.419 5.043 30 10 IKEE C=CCCC1(C(=O)c2cc(Cl)cc(Br)c2)CN(C(=O)OC(C)(C)C)C1 2254961561 KJORPPNPJMAVEL-UHFFFAOYSA-N 428.754 5.489 30 10 IKEE CC(C)(C)OC(=O)NC(C)(C)c1ccc(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)cc1 2267183578 OMCPSRKGHGZCSL-UHFFFAOYSA-N 444.381 5.011 30 10 IKEE C#CC[C@@H](C)C[C@@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2276997235 JQXKOPAVPFPWHJ-QDPGVEIFSA-N 443.587 5.911 30 10 IKEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)cc(C(C)C)c1 2280716893 AUCZHTZSCMHNSV-VQTJNVASSA-N 437.422 5.530 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](CC[C@H](O)C#Cc2cccc(Br)c2)C1 2296223977 GAEFLWTYSRNZTR-MISYRCLQSA-N 436.390 5.025 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CN(Cc2ccccc2)C(C)(C)C1 2296282981 BCZLIWJJDOENIO-JTHBVZDNSA-N 425.414 5.079 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)CC1(NC(=O)OC(C)(C)C)CCCC1 2296307997 BLJBVHNELDZNMH-IBGZPJMESA-N 435.406 5.006 30 10 IKEE CCOC1=CC(=C2C=C(Nc3ccc(C)cc3)c3c(C)oc(C)c3C(OCC)=C2)C=CC1=O 2296595299 NNOCUTKVNUYYES-UHFFFAOYSA-N 443.543 6.405 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)C(=C(O)c4ccco4)[C@H]3c3ccccc3)sc2c1 2296608289 ODMCDKCDPHGAPK-HXUWFJFHSA-N 430.485 5.078 30 10 IKEE O=c1c(C=NCc2ccc(Cl)cc2)c(C(F)(F)F)[nH]n1-c1nc2ccccc2s1 2296970461 BABRVIJCSMJRKH-UHFFFAOYSA-N 436.846 5.067 30 10 IKEE C=CCOc1ccccc1C=C1SC(=Nc2ccncc2Cl)N(c2ccccc2)C1=O 2314542580 MJHHBCPCKACYQE-UHFFFAOYSA-N 447.947 6.108 30 10 IKEE CN1C(=O)C(=Cc2cn(C)c3ccccc23)SC1=Nc1nc(-c2ccccc2)cs1 2314544214 WJYYIFRBUJGPAQ-UHFFFAOYSA-N 430.558 5.536 30 10 IKEE COc1ccc(CN2COc3cc(C)c4c(c3C2)OC(=Cc2ccc(C)cc2)C4=O)cc1 2321950408 TVNMFCUNRVWGFH-UHFFFAOYSA-N 427.500 5.280 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCCC)cc1OCCC 2322502787 BQKZZJSSKPUJPE-UHFFFAOYSA-N 446.971 6.611 30 10 IKEE COc1cccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)c1OCc1cccc(C)c1 2322969024 KVZRJJXZIBUXMP-UHFFFAOYSA-N 428.572 7.085 30 10 IKEE COc1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C)o2)C3=O)cc1OC 2323073138 BXRFRAZMBUGEMN-UHFFFAOYSA-N 446.455 5.149 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(F)c2)C3=O)cc1 2323076241 RFDARGAYXPGILP-UHFFFAOYSA-N 448.446 5.133 30 10 IKEE CN(C)c1ccc(C=C2Oc3cc(OC(=O)CCc4ccc(Cl)cc4)ccc3C2=O)cc1 2323101891 UUXMJTAYFQBXSM-UHFFFAOYSA-N 447.918 5.560 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OCC(=O)Nc1ccccc1F 2323168815 DYTMKDWOIFVOPT-UHFFFAOYSA-N 437.442 5.195 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2OC)cc1OCC(=O)Nc1ccc(F)cc1 2323176568 MCWRLNXLGRJKPY-UHFFFAOYSA-N 449.478 5.065 30 10 IKEE Cc1c(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(Cl)c2)C3=O)cccc1[N+](=O)[O-] 2323270477 IMQBZWJFOLEVPV-UHFFFAOYSA-N 449.846 5.700 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)c(Br)c1OCCCO 2323302290 LPZSSUQVPVEVQL-UHFFFAOYSA-N 433.342 5.040 30 10 IKEE CCCOc1c(OC)ccc(C=CC(=O)c2cc(Cl)ccc2OC)c1Br 2323332112 VXKBWKBHKFCDOD-UHFFFAOYSA-N 439.733 5.805 30 10 IKEE Cc1cc(OC(=O)Cc2cccc3ccccc23)cc2c1C(=O)C(=Cc1ccccc1F)O2 2323399857 GAJIVYQQUCYWDC-UHFFFAOYSA-N 438.454 6.052 30 10 IKEE Cc1cc(OC(=O)Cc2cc(Cl)ccc2Cl)cc2c1C(=O)C(=Cc1ccncc1)O2 2323404511 VACNRUONKCHNCO-UHFFFAOYSA-N 440.282 5.461 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)cc(Cl)c1OCc1cc(C)ccc1C 2323471405 XHWSGGVQUNPTLJ-UHFFFAOYSA-N 448.990 7.393 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccccc2Cl)cc1[N+](=O)[O-] 2323603807 MDOHKWLMXQDOND-UHFFFAOYSA-N 444.915 5.172 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)CC1 2323651865 NTKRJSYMMXNFBU-UHFFFAOYSA-N 449.503 6.113 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc(OC(C)C)cc4)c3C)C2=O)cc1 2323813826 GGBPWCCEHROLRA-UHFFFAOYSA-N 428.484 5.926 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Br)c1OCCCO 2323865678 LDJSARWXUSHFOV-UHFFFAOYSA-N 433.342 5.122 30 10 IKEE C=CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(CC)cc2)C3=O)cc1 2323866067 NGKYIXYXDADOLR-UHFFFAOYSA-N 440.495 5.958 30 10 IKEE CCOc1cc(C=NNc2nc(-c3ccc(C)cc3)cs2)cc([N+](=O)[O-])c1OCC 2323870696 QPCNGZPHOCREJP-UHFFFAOYSA-N 426.498 5.270 30 10 IKEE CCCC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C)o2)C3=O)c1 2323921799 KPHJNBIOOVGDGY-UHFFFAOYSA-N 446.455 5.437 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OCc1ccc([N+](=O)[O-])cc1 2324009882 RSVPSQQNUATKRW-UHFFFAOYSA-N 447.487 5.786 30 10 IKEE COc1ccc(C=C2Oc3c(CN(Cc4ccccc4)C(C)C)c(O)cc(C)c3C2=O)cc1 2324014296 AXCLBAZBADPTEN-UHFFFAOYSA-N 443.543 5.736 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(F)cc2)c([N+](=O)[O-])c1)c1cccc2ccccc12 2324140008 CJKIYVMKGHKDDR-UHFFFAOYSA-N 427.431 6.362 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(OC)c1OCc1ccccc1F 2324261275 JRWLONMKEBLTNU-UHFFFAOYSA-N 438.445 6.316 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OCCc2ccccc2)c(Cl)c1 2324532273 LIJNUQFSCWJUQR-UHFFFAOYSA-N 441.354 6.828 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc(Br)c1OCC 2324585326 WBXSQJWHKISQEM-UHFFFAOYSA-N 445.397 6.749 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccc(Cl)cc4)c3C)C2=O)cc1 2324611298 CBPBPVSFAKTPIF-KRWDZBQOSA-N 447.918 5.979 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2OC)ccc1OCC(=O)OCC(C)C 2324706369 YBQFKLDPLBPDKI-UHFFFAOYSA-N 446.927 5.221 30 10 IKEE C[C@H](NC(=O)COc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O)c1ccccc1 2325019288 FAUMINLNUBQIMK-IBGZPJMESA-N 425.484 5.115 30 10 IKEE Cc1c(OCc2cccc3ccccc23)ccc2c1OC(=Cc1ccccc1Cl)C2=O 2325272800 XQCRFVYZYKZJIW-UHFFFAOYSA-N 426.899 6.997 30 10 IKEE COc1cccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccc(C)cc2)c1 2325470982 GTVGRJDYPMKMNP-UHFFFAOYSA-N 428.561 5.360 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O)Nc1ccc(Cl)cc1F 2325490122 DZEGDAWVROLJEW-UHFFFAOYSA-N 441.817 5.252 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(Cl)cc4)ccc3C2=O)cc1 2325513339 RIEIWEMUSOQBMR-UHFFFAOYSA-N 433.891 5.536 30 10 IKEE CCc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2F)C3=O)cc1 2325722781 ZKFWLCYHZFAUID-UHFFFAOYSA-N 431.463 5.330 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccc(OC(C)C)c(Cl)c1 2326382346 BHPUXAQWMLWYMX-UHFFFAOYSA-N 443.016 6.154 30 10 IKEE CSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccccc1OC(C)C 2326561714 PAIZHPRTYLEANL-UHFFFAOYSA-N 430.577 5.608 30 10 IKEE CCCCC1CCC(c2nnc(SCCCO)n2N=Cc2ccc(Cl)cc2)CC1 2328194924 DWEJQZBCVLHQRX-UHFFFAOYSA-N 435.037 5.752 30 10 IKEE Cc1ccccc1C=Nn1c(COc2ccccc2)nnc1SCc1cccc(F)c1 2329898373 VJASZCIOPDVGFT-UHFFFAOYSA-N 432.524 5.479 30 10 IKEE Cc1cccc(C=Nn2c(COc3ccccc3)nnc2SCCc2ccccc2)c1 2329919327 RVBKJVRKENJGPN-UHFFFAOYSA-N 428.561 5.383 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(C)c3)n2N=Cc2cc(C)ccc2O)cc1 2329947382 YUEQGOUHLDIDFI-UHFFFAOYSA-N 442.588 5.674 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2ccc(F)cc2F)cc1 2329992679 YVTBRIAACDKHST-UHFFFAOYSA-N 434.515 5.630 30 10 IKEE Cc1ccc(CSc2nnc([C@@H](C)c3ccccc3)n2N=Cc2ccccc2F)cc1 2330050906 UAOIIEYRDYNCKG-IBGZPJMESA-N 430.552 6.052 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2ccccc2F)nnc1[C@@H](C)c1ccccc1 2330108821 YMPLSJCYSPODCX-IBGZPJMESA-N 430.552 6.052 30 10 IKEE Fc1cccc(Cl)c1CSc1nnc(CC2CCCCC2)n1N=Cc1ccco1 2330306698 OIERUCJRFUZTGQ-UHFFFAOYSA-N 432.952 5.961 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)c(F)c2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 2330627168 OTLYEKLYKSRJKK-UHFFFAOYSA-N 443.789 5.642 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCc3cccc(Cl)c3)nnc2-c2ccccc2)c1 2330692782 VYBJEESXVNMRMO-UHFFFAOYSA-N 434.952 5.787 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)cc2)cc1 2330742188 BCLCSOSLUMRTSD-RPWUZVMVSA-N 430.931 6.508 30 10 IKEE Cc1ccccc1CSc1nnc(CC(C)(C)C)n1N=Cc1c(F)cccc1Cl 2330808800 OMYJSDVPNPGITL-UHFFFAOYSA-N 430.980 6.142 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3F)c(Cl)c2)cc1C 2330863090 VQJSGJNZYNNKOS-UHFFFAOYSA-N 442.845 6.051 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2[C@H]2CCCO2)cc1 2330929398 IVECGXUMXVZCRU-JOCHJYFZSA-N 436.581 5.401 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(C(F)(F)F)cc2)cc1)c1ccc([N+](=O)[O-])cc1 2331018402 ZGRRNERAESTBTQ-UHFFFAOYSA-N 441.361 5.729 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(OC)cc1 2331152750 LHHUMFMAAUNIRZ-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccccc2)cc1Cl 2331165931 SIUNOWYYKRLNKW-UHFFFAOYSA-N 436.891 5.619 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3cc(F)ccc3F)cc2)cc1 2331190102 GZFXYRJGDHQJAO-UHFFFAOYSA-N 438.426 5.244 30 10 IKEE C=C(C)CSc1nnc(-c2ccco2)n1N=Cc1ccc(OCCCC)c(OCC)c1 2331201971 NRZXVLQWBCKKQL-UHFFFAOYSA-N 440.569 5.666 30 10 IKEE CCCOc1cccc(C=Nn2c(CCOC)nnc2SCc2ccccc2Cl)c1 2331286829 NQIAGFCSYFNHGY-UHFFFAOYSA-N 444.988 5.084 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)Cc1cccs1 2331328760 IYXMQXHODAMXOW-UHFFFAOYSA-N 446.568 6.146 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(F)cc2)n1N=Cc1cccc(Br)c1 2331376583 VNRDMDUYWDEONP-UHFFFAOYSA-N 447.377 5.652 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc([N+](=O)[O-])cc1 2331402582 RRVCBZIHGDGGKD-UHFFFAOYSA-N 445.548 5.812 30 10 IKEE CC(C)(C)c1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(C(=O)O)cc1 2331405566 XZPGJMLGSCMFLY-UHFFFAOYSA-N 428.945 5.102 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OC(=O)CC2CCCCC2)cc1 2331545927 AVLIBVMJBANRIF-UHFFFAOYSA-N 434.576 6.765 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)Cc1cccs1 2331630762 OWKFKDOWFJLBFL-UHFFFAOYSA-N 436.529 5.426 30 10 IKEE CCCC(=O)Oc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1Br 2331646914 DSGGZRVORUWGIF-UHFFFAOYSA-N 429.354 6.284 30 10 IKEE C=C(C)CSc1nnc(CCC)n1N=Cc1ccc(N(CC)Cc2ccccc2)cc1 2331649165 KAVAXPZVVUDXEP-UHFFFAOYSA-N 433.625 5.808 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCC(=O)Nc3ccc(F)cc3)nnc2C2CC2)cc1 2331727441 TXLUUKSMRAEHKR-UHFFFAOYSA-N 437.544 5.031 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)cc(OC)c1OC(=O)C(C)C 2331865936 RHUUXHYOTKNGHM-UHFFFAOYSA-N 434.488 5.323 30 10 IKEE N#Cc1nc(-c2cccs2)oc1NN=Cc1cccc(OCc2ccc(Cl)cc2)c1 2331938105 FOVCRCNXVLAHEP-UHFFFAOYSA-N 434.908 5.953 30 10 IKEE C[C@H]1[C@@H](C)N(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C[C@@H](C)N1Cc1ccccc1 2365059351 PACQSMIBNPYWKD-LRGONLHBSA-N 447.432 5.214 30 10 IKEE C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@H]3CC[C@]21C 2530710 YBCYJDNOPAFFOW-YCXVNIDASA-N 437.587 5.429 30 10 IKEE C(\Nc1ccccc1)=C1\CC/C(=C\Nc2ccccc2)C1=[N+](c1ccccc1)c1ccccc1 8655903 PQRRQTAWFLEQOR-UHFFFAOYSA-O 442.586 7.748 30 10 IKEE CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=N[C@H]2c1c[nH]c2ccccc12 17094437 JDAMVHLOWWRSQV-QFIPXVFZSA-N 425.492 5.065 30 10 IKEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2OC)cc1 20882721 MREUQDOKDRPJDT-HMILPKGGSA-N 440.543 6.073 30 10 IKEE CCCOc1c(OC)cccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(CC)cc1)C2 20883527 PTISLLUCHYMLES-PZJWPPBQSA-N 433.548 5.051 30 10 IKEE CC/C(=N\Nc1nc(SCC(=O)Nc2ccc(C(C)(C)C)cc2)n[nH]1)c1ccccc1 21081560 SSPFECIVPFIBEQ-LGUFXXKBSA-N 436.585 5.059 30 10 IKEE COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2OC)c1 21218822 WDGCUGFWJBGAGP-XRHLQHRESA-N 426.516 5.683 30 10 IKEE COc1cccc2c(C)cc(SCCC(=O)Nc3sc4c(c3C#N)CCCC4)nc12 32530213 HYDHSEYMYBWSHI-UHFFFAOYSA-N 437.590 5.485 30 10 IKEE O=[N+]([O-])c1cc(/C(O)=N/c2nnc(SCc3ccccc3Cl)s2)ccc1Cl 33405545 ZIUZJCKYUCTEKU-UHFFFAOYSA-N 441.321 5.682 30 10 IKEE CCCCN(CCCC)Cc1c(O)ccc2c1O/C(=C/c1ccc(Cl)c(Cl)c1)C2=O 37857802 AZPMQJLSOPGEAK-HYARGMPZSA-N 448.390 6.717 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1cccc2ccccc12 40079494 UZYANHHWJDGYLF-VWLOTQADSA-N 443.543 6.005 30 10 IKEE Cc1c(OC(=O)c2cc3ccccc3o2)ccc2c1O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 41352491 KXMBZMJNQJPVGI-MTJSOVHGSA-N 441.395 5.485 30 10 IKEE O=C1CCCC2=C1[C@@H](/C=C/c1ccccc1)n1nc(SCc3ccccc3F)nc1N2 54643124 RYTAPMBKDZDEDP-FBRRREGBSA-N 432.524 5.397 30 10 IKEE C=CCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3)nn2[C@H]1/C=C/c1ccccc1 54643627 NVTMEYPLDLJNJZ-JLVIMGNISA-N 444.560 5.254 30 10 IKEE CCCCCCCOc1cccc(NCC(=O)Nc2cccc(OCCCCCC)c2)c1 100089999 IMWIIHNPURBTII-UHFFFAOYSA-N 440.628 7.046 30 10 IKEE O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 101010947 SWBZTRHTCCTJGS-AWEZNQCLSA-N 445.281 5.206 30 10 IKEE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N\Nc2ccccc2)CC(C)(C)C3)cc1Cl 101108900 YWHFSFXEJWCFIX-BRPDVVIDSA-N 435.955 6.591 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(O)c(OC)c2)S/C1=N/c1nc(-c2ccccc2)cs1 101130335 LYAIYUYYFFJTBY-QLIPUSLZSA-N 437.546 5.148 30 10 IKEE COC(=O)C1=C(C)N(c2ccc(F)cc2)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C1=O 103662129 VDQNIUKAYFRQEO-MOSHPQCFSA-N 437.854 5.616 30 10 IKEE C[C@H](O[C@H]1OCCN=C1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 113470139 KHOSCFXAHZBOCH-BBATYDOGSA-N 435.339 5.787 30 10 IKEE CC(C)(C)[C@H](CS)COc1c(Br)cc([N+](=O)[O-])cc1Br 125220709 LMSAHOFJDYMXSM-QMMMGPOBSA-N 427.158 5.091 30 10 IKEE COc1cc(Br)c(OC[C@H](CS)c2ccccc2)cc1Br 125234936 VETKRSJEJPRJPI-GFCCVEGCSA-N 432.177 5.313 30 10 IKEE COC1=CC(Br)=C/C(=C/Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)C1=O 135994405 WXLCUHJRIWCKOZ-QBFSEMIESA-N 441.256 5.322 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2cccs2)cc1 169921286 XXWNKEHOBDZEDN-FQEVSTJZSA-N 439.920 5.189 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3ccccc3)c(C(=O)OC)s2)ccc1OC(C)C 169941487 VPZUZSVDKVQKNM-OYKKKHCWSA-N 439.537 5.229 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)CCc2ccccc2)=C(O)C(=O)N1c1ccccc1C 169946381 JBOGVHGUSZMWFX-VWLOTQADSA-N 427.500 5.106 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccc(O)cc2)c(C)c1 169962978 GFDXRLNLCIQKLS-SANMLTNESA-N 449.506 5.945 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2cccc(C)c2)cc1 169968501 RVFFFVDDLLDCBW-QFIPXVFZSA-N 435.426 5.065 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@H]2c2ccncc2)s1 170017411 LRNRUZUYSCJBPO-FQEVSTJZSA-N 447.560 5.235 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccccc2C)cc1 170029966 XSUAQXYBDWVCJO-XMMPIXPASA-N 445.490 5.624 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(Cl)cc1)c1cc2ccccc2o1 170056715 PTFOAFIYFNSHQN-OAQYLSRUSA-N 449.915 5.926 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccccc2F)c1 170070069 FSKOTOQJGFRMQM-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2c[nH]c3ccccc23)c1 170074447 MUVMVLDLWWGNCF-DEOSSOPVSA-N 440.474 5.707 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccccc2C)c1 170086772 GDJQFDKUFNLHRO-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2sccc2C)cc1C 170106545 RTYZFTONOXHONN-FQEVSTJZSA-N 437.948 6.110 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2sccc2C)cc1 170107058 FLZLHCJYZNPFTH-LJQANCHMSA-N 439.920 5.501 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2cccs2)c1 170156583 XPZQTBPNMVTSAX-HSZRJFAPSA-N 425.509 5.993 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cccs1)c1ccc(Cl)c(Cl)c1 170163881 QPTRNBZASJPCKU-SFHVURJKSA-N 436.360 5.966 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccccn2)cc1C 170172158 JYOPWJZKQOSYOU-XMMPIXPASA-N 442.515 5.188 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccn1 170173020 VBPMJXGGGOLXON-QHCPKHFHSA-N 442.515 5.171 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccc1 170227538 QXJGSBYLZZIDHF-RUZDIDTESA-N 435.479 5.631 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(Cl)cc2)c(C)c1 170236908 IHDRVLJCTCDVLM-NRFANRHFSA-N 425.912 5.178 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1F)c1ccc(Cl)cc1 170248210 VFJYCPFDYHCJNA-HXUWFJFHSA-N 425.818 5.401 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2cccc(O)c2)c1 170257718 QBOXQAZHZIYCSA-QHCPKHFHSA-N 447.462 5.103 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@H]1c1cccc(O)c1 170263355 OPQDTHAMMQVQJN-OAQYLSRUSA-N 443.927 5.213 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccccc2C)cc1 170272384 OYYWVBADQKWMSK-RUZDIDTESA-N 441.527 5.874 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccco2)cc1C 170284750 BIIXBQAJFUFEJQ-QHCPKHFHSA-N 447.487 5.168 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccco2)c1 170287503 QFLVVRGQXHDYQQ-OAQYLSRUSA-N 437.879 5.423 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2sccc2C)c1 170315122 IPASETRJERTCCH-OAQYLSRUSA-N 449.528 5.165 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1)c1ccncc1 170377456 UGPKKKADIMRTGZ-LJQANCHMSA-N 442.368 5.022 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1CCc1c[nH]c2ccccc12 170425037 FYWGKUZLHAUAKW-JOCHJYFZSA-N 442.540 5.359 30 10 IKEE Cc1cccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 170462643 JEALYUBPFVHBLD-FQEVSTJZSA-N 440.952 5.773 30 10 IKEE C=C(C)[C@@H]1CC[C@@]2(C)CC[C@@]3(C)[C@H](CC[C@H]4[C@]3(C)CC[C@H]3[C@@](C)(CO)[C@H](O)CC[C@@]34C)[C@@H]12 253533540 RFCPTXGFYWKJJB-CFHPWOJCSA-N 442.728 6.997 30 10 IKEE COc1cc([N+](=O)[O-])cc(C=Nc2cccc(NC(=O)c3cc4ccccc4o3)c2)c1O 254387292 RNVHHGGBHIDJRE-UHFFFAOYSA-N 431.404 5.058 30 10 IKEE Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(N=Cc3c(Cl)cccc3Cl)cc1)N2 254393286 CWPKVJRKDYJFFN-GOHWNWGWSA-N 433.382 7.879 30 10 IKEE N#Cc1ccc(Nc2ccc(Br)c(I)c2)cc1Cl 305939857 DYRZPXNCGBGWDZ-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE CC1(C)OB(CCC[C@H](N)c2cc(Br)c(Br)s2)OC1(C)C 383813602 BYLZDYVESBZDQC-JTQLQIEISA-N 439.022 5.145 30 10 IKEE CC(C)COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(O)cc2)c1 526514738 CSHPNPHGMMPSRX-RUZDIDTESA-N 440.499 5.356 30 10 IKEE CCCCCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccc(C)cc2C)cc1 526811849 VFQWQOASWMREOT-ONUIUJJFSA-N 436.625 6.201 30 10 IKEE Cc1ccc(C)c(CSc2nncn2/N=C\c2ccc(OCc3ccccc3)cc2)c1 526818608 RJLAHCUUOQVRRL-DICXZTSXSA-N 428.561 5.648 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccc(C(F)(F)F)cc1 526821480 VBGIFFKECBSCQC-VYYCAZPPSA-N 440.494 6.187 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@H](NC(=O)CCc3ccc(C)cc3)C2)c1 586019891 REPUNGLZFSRWEA-VWLOTQADSA-N 447.623 5.186 30 10 IKEE CCc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2ccc(F)c(Cl)c2)cc1 586238204 QASFUVVQGWTROJ-UHFFFAOYSA-N 428.916 5.309 30 10 IKEE C#CCCCCC[C@@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 686707703 WPNPVHRZVPJOJE-SHQCIBLASA-N 441.660 5.108 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C1 698908123 GULKCNKCLBWYHH-AOMKIAJQSA-N 435.590 5.024 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@@H](C#N)c1ccc(Br)cc1F 698960333 WRPWUFGMBZZUNU-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@](C)(C#N)CCc1ccccc1 710707162 KKRBFZPZJZDQQQ-QFIPXVFZSA-N 429.358 6.106 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)C1 724028727 NLNPUYIDEKOUGL-MWTRTKDXSA-N 449.979 5.811 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CC[C@H](CNC(=O)OC(C)(C)C)C2)c1 724066581 CPEOPHDLVICVPL-MHECFPHRSA-N 429.561 5.324 30 10 IKEE COc1ccc(Cl)cc1NC(=S)/C(=C(/O)c1ccc(C#N)cc1)[n+]1cccc(C)c1 792571747 ZTYOBGTWFATUPC-UHFFFAOYSA-O 436.944 5.140 30 10 IKEE C=C1CC[C@@H](O)C/C1=C\[C@H](O)[C@]1(O)CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C 1083806344 KXILCRGOVVVVRF-SXFDZWCXSA-N 430.673 5.807 30 10 IKEE CC[C@@H](C)c1ccc(N=Cc2cc(Br)c(I)o2)cc1 1083890339 JTYCHHFPCVIOTK-SNVBAGLBSA-N 432.099 5.911 30 10 IKEE COc1ccc2c(c1[N+](=O)[O-])CCCC2=NOC(=O)c1ccc(Oc2ccccc2)cc1 1084424299 GSHBKQRGICLKDT-UHFFFAOYSA-N 432.432 5.293 30 10 IKEE CCCCCCCCCn1c(N=Cc2cc(Br)ccc2O)nc2ccccc21 1565517834 POZAVRGDGMJJJY-UHFFFAOYSA-N 442.401 7.006 30 10 IKEE O=C(OCc1ccccc1)N1C[C@@H](CS)[C@@H](c2cc(C(F)(F)F)ccc2Cl)C1 1614629251 QOVOQBTXLRARAV-YOEHRIQHSA-N 429.891 5.641 30 10 IKEE O=C1/C(=C\c2cccc([N+](=O)[O-])c2)SC(=Nc2cccnc2Cl)N1C1CCCCC1 1772732500 FPQPQAOZDLKYSD-DHTRNYPVSA-N 442.928 5.580 30 10 IKEE Cc1cccc(N=C2S/C(=C\c3cccc4ccccc34)C(=O)N2C2CCCCC2)n1 1772739562 WXGSXAXNPOVRMF-JCZIGYIGSA-N 427.573 6.480 30 10 IKEE Cc1csc(N=C2S/C(=C/c3ccc(Br)o3)C(=O)N2c2ccccc2)n1 1772740580 ZJHDXSNJWJNKNB-AZYSWTJUSA-N 446.351 5.616 30 10 IKEE Cc1c(N=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(O)n(C2CCCC2)c(=O)c1C#N 1772741434 MULHGVRLYVRWIW-UHFFFAOYSA-N 435.362 5.192 30 10 IKEE Cc1c(C(=O)N2CCCC[C@@H]2C)oc2c1C(=NNc1cccc(C(F)(F)F)c1)CCC2 1772750609 DTQPTIWHLFUPMR-AWEZNQCLSA-N 433.474 5.774 30 10 IKEE CCCCCCOc1ccc(NC(=O)Nc2ncccc2OCc2ccc(C#N)cc2)cc1 1858865297 BLDXZJZACNRBQS-UHFFFAOYSA-N 444.535 6.135 30 10 IKEE C=CCN(CC=C)C(=O)Oc1cccc2c(NC(=O)c3ccc(OC(C)C)cc3)cccc12 1858950845 QTKBFYNICXUQAN-UHFFFAOYSA-N 444.531 6.052 30 10 IKEE C=CCN(CC=C)C(=O)Oc1cccc2c(NC(=O)c3cccc([N+](=O)[O-])c3C)cccc12 1858952999 YAINMBFMPMSPKH-UHFFFAOYSA-N 445.475 5.482 30 10 IKEE COc1cccc(-c2cc(C(=O)Nc3ccccc3C#N)nn2-c2cccc(Cl)c2)c1 1859403303 POXZXAPHNHFGDD-UHFFFAOYSA-N 428.879 5.325 30 10 IKEE N#Cc1cccc(COc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)c1 1860144111 CSNOZLQGEBNGFA-UHFFFAOYSA-N 427.287 5.462 30 10 IKEE O=C(/C=C/c1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 1860725288 DYEBJCOPGATRTE-FPYGCLRLSA-N 432.623 5.342 30 10 IKEE COc1cc(/C=C/C(=O)C(=O)Nc2ccc(Cl)cc2C)ccc1OCc1ccccc1 1860728559 PUMDTRTWPXOLEF-XYOKQWHBSA-N 435.907 5.457 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](NC(=O)c1ccccc1OCC)c1ccccc1 1861356383 WOIFJOITGINLHR-RUZDIDTESA-N 438.612 5.813 30 10 IKEE CCCCCCCCNC(=O)[C@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccccc1 1861562641 NSCVDVZCUQYRNC-BAMUOBTLSA-N 448.651 6.332 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1cccc(C)c1 1861808251 PUKBPYXNXDVKLH-RUZDIDTESA-N 438.612 5.299 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2c(F)cc(F)cc2F)n(-c2cccc3ccccc23)n1 1862344095 XQMBXPLHTCJCHC-UHFFFAOYSA-N 447.460 5.924 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccc(Cl)cc2Cl)cc1 1862394659 OGLWLMIZXUYSIY-OAQYLSRUSA-N 444.358 6.077 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2c(F)cccc2Cl)cc1 1862398091 VIZALNAFOZFTHY-NYHFZMIOSA-N 443.946 6.199 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(F)cc1F)c1ccc(F)cc1F 1862416550 HHPJNKNSLVHJCF-HXUWFJFHSA-N 433.401 5.154 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc2ccccc12 1862435046 MWGFWNUTVZJXHN-HSZRJFAPSA-N 433.935 6.118 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc2cc[nH]c2c1 1862446059 KIGWRTKTSZTHIX-LDLFBNOTSA-N 448.950 5.978 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2cccc(Cl)c2)cc1 1862476168 DLNWPRRCIHAJRK-NRFANRHFSA-N 427.928 5.042 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCCC2)cc1OC 1862494593 CLVALTIFCQRFQM-XMMPIXPASA-N 449.547 5.232 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(C(F)(F)F)cc2)ccc1F 1862509071 WPIVMNWVFCMQIB-HXUWFJFHSA-N 447.428 5.674 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc(Cl)cc2)cc1 1862536397 XGYREZPEXYBOGB-POCHDABASA-N 437.967 6.059 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862538514 IOUMYOGVKRYCMQ-NRFANRHFSA-N 445.481 6.036 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(C(F)(F)F)cc1 1862550787 LOWWBGWPCQAZAT-OAQYLSRUSA-N 441.449 5.349 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862625369 DTCMQDRJKMQULU-MZNJEOGPSA-N 441.483 5.063 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccccc1 1862722066 MWSNKVWKVQMYGY-AREMUKBSSA-N 439.555 6.512 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 1862724602 PUSWZZCEINEZRU-DEOSSOPVSA-N 429.491 5.871 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(OC)cc1 1862725617 NLXVUGJRYWWFTC-BVZFJXPGSA-N 441.527 5.739 30 10 IKEE COc1ccc(NC2=C(c3cccc4ccccc34)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862854129 NEWVDQQYEQGYHQ-UHFFFAOYSA-N 445.478 5.117 30 10 IKEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2CC)[C@H]1c1cccs1 1864481413 JDACXJAJNQLVJC-HXUWFJFHSA-N 444.645 5.088 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)NCC[C@H](C)c1ccc(O)cc1 1866029896 NTVYEHONUFPWGK-VWLOTQADSA-N 431.705 8.264 30 10 IKEE CCCCCCCCC(=O)Nc1sc(C)c(-c2ccc(Cl)cc2)c1C(=O)OCC 1866090310 AKMACOCMSCZUCU-UHFFFAOYSA-N 436.017 7.243 30 10 IKEE CC[C@](C)(NC(=O)C[C@H](c1ccc(Cl)cc1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866755230 MCWIVUUWJJELHQ-URXFXBBRSA-N 425.960 5.265 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)c(Cl)c2)c(=O)cc1CNc1cc(C)ccc1C 1870826328 SMNFQMLCUMZKOJ-UHFFFAOYSA-N 443.374 6.149 30 10 IKEE CCCCCCCOc1cn(CCC)c(CNc2ccc(OC)c([N+](=O)[O-])c2)cc1=O 1870832556 ZHHUGOCZDNBIIF-UHFFFAOYSA-N 431.533 5.136 30 10 IKEE CCCCCCCCn1cc(OCCOC(C)C)c(=O)cc1CNc1ccc(Cl)cc1 1870986554 HUMWHKVFHTUIIK-UHFFFAOYSA-N 449.035 6.278 30 10 IKEE C#CCOc1cn(CCCCCCCCCC)c(CNc2cccc(Cl)c2)cc1=O 1871006056 NAPZSHQDWFHMSA-UHFFFAOYSA-N 429.004 6.267 30 10 IKEE Cc1ccc(C)c(CN2COc3cc(C)c4c(c3C2)O/C(=C\c2ccccc2F)C4=O)c1 1871348984 MHIDJWQLHRCGRU-MSXFZWOLSA-N 429.491 5.719 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1cn(C)c4ccccc14)O3)CN([C@H]1CCCC[C@H]1C)CO2 1871351130 LIIUMEFEDBVKIT-SRUBGTOFSA-N 442.559 5.834 30 10 IKEE CCOc1ccc(OCC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871367104 YKAISAVSOBXZEK-OYKKKHCWSA-N 444.483 5.303 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(F)c(F)c4F)c3C)C2=O)cc1 1871370267 IFLDEYISAKUOIU-ODLFYWEKSA-N 440.373 5.256 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1cc(C)c2c(c1)O/C(=C\c1sccc1C)C2=O 1871371271 NSPFAGLTHVOSQO-JCMHNJIXSA-N 448.540 6.054 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc3C2=O)cc1 1871372829 NCVACLADWPPNLX-FBHDLOMBSA-N 435.819 5.392 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)cc1 1871387569 CKXUQUFMQSRBHM-CFRMEGHHSA-N 444.439 5.040 30 10 IKEE Cc1cc(O)c(CN2CCOc3ccccc32)c2c1C(=O)/C(=C/c1cccc(Cl)c1)O2 1871396012 IAZVZYUQIHUSSV-XKZIYDEJSA-N 433.891 5.369 30 10 IKEE CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(C)c1)C2=O 1871401916 CAVNOJSQHBUEMW-QETRNLNESA-N 441.527 5.888 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871410258 BVXNCENJLHHWDZ-WMWHPZEKSA-N 445.490 5.719 30 10 IKEE COc1ccc(OC)c(/C=C2\Oc3c(ccc(OCc4cc(C)c(C)cc4C)c3C)C2=O)c1 1871417792 QSBYICPUMXOCDS-WGARJPEWSA-N 444.527 6.133 30 10 IKEE O=C(COc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O)Nc1ccc2ccccc2c1 1871419881 SLYWGZLXTJECPX-KOFYYKLYSA-N 447.490 6.030 30 10 IKEE CCCCCCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O 1871422393 YTRZKGVSTZCHLM-BKUYFWCQSA-N 428.912 5.767 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCc4cc(C)c(C)cc4C)cc(C)c3C2=O)cc1 1871422901 HOACNMTVJANNQF-WGARJPEWSA-N 428.528 6.514 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OCCC(=O)Nc4ccc(C)cc4)c3C)C2=O)cc1 1871433184 YFWWSLVNVITWHQ-UQQQWYQISA-N 441.527 5.890 30 10 IKEE CCCCCCCCN=c1nc(N(CC)CCCC)[nH]c(=Nc2cccc(Cl)c2)[nH]1 1871647669 GDRVSUMXTWBYCM-UHFFFAOYSA-N 433.044 5.511 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 1872252779 WVRUVRRNPHYBRQ-QFIPXVFZSA-N 449.016 5.413 30 10 IKEE C=C(C)CN([C@H](C)C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)S(=O)(=O)c1cccs1 1872321770 FNAODWHLUCPBAV-GOSISDBHSA-N 448.654 5.589 30 10 IKEE CCCCCCCCCCNC(=O)Cc1nonc1OCc1c(Cl)cccc1Cl 1872645907 USERAUXQKZPPBT-UHFFFAOYSA-N 442.387 5.755 30 10 IKEE CCCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3C)cs2)cc1OCC 1872769007 HANGUDISTKOTRC-OAQYLSRUSA-N 448.588 6.495 30 10 IKEE Cc1cc(-c2csc([C@@H](C#N)C(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)ccc1F 1872772007 HYMICEIGUJRDPM-IBGZPJMESA-N 449.551 5.161 30 10 IKEE Cc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(F)c(C)c3)cs2)c(C(C)(C)C)c1 1872773137 XAZXDYPVBRGOIE-GOSISDBHSA-N 436.552 6.119 30 10 IKEE CC(C)c1ccc(-c2csc([C@@H](C#N)C(=O)CNC(=O)c3ccc(Cl)cc3)n2)cc1 1872775761 ZGAHPWNBIPZFHD-IBGZPJMESA-N 437.952 5.193 30 10 IKEE Cc1nc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(C(C)C)cc4)cs3)cc2nc1C 1872776597 SQUAHPSZJBXGDC-FQEVSTJZSA-N 426.545 5.984 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-n4cccc4)cc3)n2)c(C)c1C 1872778909 XEUUNUKSPFBTJN-NRFANRHFSA-N 427.529 5.716 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)c3cccc(OC(C)=O)c3)n2)cc1C(C)C 1872779718 PONVBTUHQONXNL-OAQYLSRUSA-N 448.544 5.666 30 10 IKEE C=CCn1c(C(=O)Nc2cc(Cl)ccc2C)cc2c(N3C[C@@H](C)C[C@@H](C)C3)ncnc21 1873665203 FHGKGWVGGZFHBQ-IYBDPMFKSA-N 437.975 5.314 30 10 IKEE CCCCCCCCCCNC(=O)C(C)(C)Oc1ccc([C@@H]2CC2(Cl)Cl)cc1 1873936952 UHHVKHVFSVDEEK-FQEVSTJZSA-N 428.444 6.762 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1ccc[nH]1 1874196828 DVSSEXBUWGEQHM-WGOQTCKBSA-N 431.565 5.321 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(OC)cc2)n1/N=C/c1c(F)cccc1Cl 1874291894 AZLKXTKIDHVVCA-BHGWPJFGSA-N 446.935 5.209 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2cccnc2)cc1C 1874359397 FMQFDNASVDTKBA-OVVQPSECSA-N 427.577 5.098 30 10 IKEE C=CCSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(OCCCC)cc1 1874367554 IKSFQTLGKJPQBA-LFVJCYFKSA-N 426.973 5.938 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(F)cc3)n2/N=C/c2cccc(O)c2)c1 1874378896 ZELYKVSYCRHYCT-CVKSISIWSA-N 432.524 5.197 30 10 IKEE Cc1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2F)cc1 1874379972 VQDAUPZMLFFQNT-JFLMPSFJSA-N 434.515 5.630 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2cccc(F)c2)n1/N=C/c1cccc(O)c1 1874393391 LIJCOJMQFBSXSB-CIRUFVMISA-N 432.524 5.449 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3ccccc3F)nnc2[C@H](C)c2ccccc2)cc1 1874395598 QMZBNPVJEVVFMY-WKTMJKCCSA-N 444.579 6.306 30 10 IKEE Fc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCc2ccccc2Cl)cc1 1874412135 DMJCYKYMKHPEBZ-ZMOGYAJESA-N 442.972 5.897 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2cccs2)o1 1874423290 FXITZVUBVSPLMW-RGVLZGJSSA-N 444.563 5.012 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2ccccc2)c1 1874426203 WELZZPPIAIPNNR-WGOQTCKBSA-N 441.560 5.175 30 10 IKEE COc1ccccc1/C=N/n1c(CC(C)(C)C)nnc1SCc1ccc(Cl)cc1 1874440024 FSCMXDYGEYLAHO-ZVHZXABRSA-N 428.989 5.703 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2C2CCCC2)cc1 1874454609 PLGZPTYPOWJWHX-WGOQTCKBSA-N 438.572 6.038 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2ccccc2C)cc1 1874454685 URJLTFWZSDBRIC-MFKUBSTISA-N 433.581 5.166 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1c(Cl)cccc1Cl 1874475638 KPKCHPNCATWQHL-ZMOGYAJESA-N 433.408 6.410 30 10 IKEE CCCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(Br)cc1 1874503740 XNPNIRODNSUTDP-WSDLNYQXSA-N 433.350 5.307 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2ccc(Cl)cc2)cc1 1874579838 LBWXHFKXNQXKGE-LFIBNONCSA-N 436.935 6.613 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(F)c(F)c2)c1OCc1ccc(C)cc1 1874584930 ISMREIRSNOFSQS-CSKARUKUSA-N 428.862 6.410 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCc3ccccc3C)ccc3ccccc23)c(OC)c1 1874587966 NKNJULWWJDTMEI-FOCLMDBBSA-N 438.523 6.641 30 10 IKEE COc1cccc(/C=C/C(=O)c2c(C)cc(C)cc2C)c1OCC(=O)Nc1ccccc1C 1874589816 DRFXSKOBYOFGQR-BUHFOSPRSA-N 443.543 5.842 30 10 IKEE Cc1cccc(COc2ccc(Cl)cc2/C=C/C(=O)c2cc(Cl)ccc2Cl)c1 1874591475 MQOIRFPYZFOFMU-WEVVVXLNSA-N 431.746 7.430 30 10 IKEE O=C(COc1cccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c1)NCc1ccco1 1874593113 SJSAGISXAMFWIW-LFIBNONCSA-N 437.495 5.538 30 10 IKEE C=C(C)COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1Br 1874601646 VKWTWXICFFKJSE-RIYZIHGNSA-N 433.345 6.967 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)ccc1OCc1ccc(Cl)cc1 1874606972 PMWIGZBSJLIEFX-KPKJPENVSA-N 436.935 6.531 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccccc1C 1874610785 KVXVNRKQJKNCEG-MDWZMJQESA-N 433.460 5.396 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1cccc(F)c1 1874610838 OIWIWJXYCHMBSA-IZZDOVSWSA-N 437.423 5.226 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCCCO)c(OCC)c2)cc1OCCC 1874612677 HGJOWCLTSQGADR-DHZHZOJOSA-N 442.552 5.320 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)c1OCc1cccc(C)c1 1874617897 ZBJJDLPRBZVGGY-ZRDIBKRKSA-N 434.963 7.139 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)ccc1F 1874618520 GCXRANRETPOAFJ-WEVVVXLNSA-N 443.287 6.511 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3C)c([N+](=O)[O-])c2)c(OC)c1 1874632759 SVDRSLQOAHVHJX-XYOKQWHBSA-N 433.460 5.396 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1OC(=O)CCOc1ccccc1 1874699755 LNWBAIFADAHODR-YRNVUSSQSA-N 438.426 5.244 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cccc(OC(=O)c3ccccc3-c3ccccc3)c2)c1 1874703524 UISWJANKUXWBME-ISLYRVAYSA-N 432.519 7.086 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccncc3)c2)c1 1874713494 ZFLUCHJPDYERKT-RMKNXTFCSA-N 447.487 5.003 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc4ccccc4c3)cc2)c(C)c1 1875095007 UHBQPOJCYXMLEW-XNTDXEJSSA-N 436.507 6.337 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(Br)c1OC(=O)C(C)C 1875101678 WJRMPJLGNGLKSY-MDZDMXLPSA-N 447.325 5.314 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1 1875105796 NCKPXKFGTTZKRI-GZTJUZNOSA-N 444.527 6.162 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)Cc1cc(C)ccc1C 1875134443 ZWRSOKJKHVMALH-JLHYYAGUSA-N 442.555 6.363 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)c1 1875137718 AKTMXWUNVNIIMU-KPKJPENVSA-N 425.311 6.726 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(F)c3)c(Cl)c2)cc1F 1875153253 XXOTUTROCDXSIY-VMPITWQZSA-N 428.818 5.742 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OCC)cc2OCC)cc1[N+](=O)[O-] 1875177645 QPXIGIZRYVDBCA-UKTHLTGXSA-N 441.480 5.384 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)COCc2ccccc2)cc1 1875184790 QDMFQZDONJPGGY-GHRIWEEISA-N 442.555 6.311 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]([C@@](C)(C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 1880503379 NGVHLXNBRUQJJJ-UMEGOILYSA-N 443.588 5.399 30 10 IKEE C#CC[C@H](C)C[C@H](NC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1887416275 FTABLFSKKAUNMO-ONALNCHISA-N 443.587 5.516 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(-c4nccs4)s3)ccc21 1890653838 ALXNSCFJONNMRW-UHFFFAOYSA-N 439.562 5.062 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccccc3Cc3ccccc3)ccc21 1891165216 IFLKJDSXVRFVDF-UHFFFAOYSA-N 440.543 5.467 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@](O)(CC)c1cccc(Br)c1 1922112414 MOBCCYODRWELRT-XZOQPEGZSA-N 432.402 5.188 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1982205627 OOSUKHORBAHQQT-NYHFZMIOSA-N 435.952 5.279 30 10 IKEE C#CCCN(C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC)C(C)C 1984779836 YMERAEUKOCRSJM-RXFWQSSRSA-N 446.591 5.200 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@H]1CN(C(=O)OC(C)(C)C)C2(CCCC2)C1 2003112960 ZHMOVXRVSDTJBL-PKTZIBPZSA-N 428.617 5.307 30 10 IKEE CN(C[C@@](C#N)(N(C(=O)OC(C)(C)C)c1ccccc1F)C(C)(C)C)C(=O)OC(C)(C)C 2032012595 IKQLYHDQXSSCBC-XMMPIXPASA-N 449.567 5.743 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)C2(C)C)c1 2035990787 UDKDTXKSEGPIMG-DEOSSOPVSA-N 445.560 5.118 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(Cc3ccccc3)C3(CC3)C2)c1 2042190928 RSLPPVWIKYJWOF-MHZLTWQESA-N 431.580 5.828 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1N(C(=O)OC(C)(C)C)CCC12CCCC2 2058786597 MYNCMBCCRUWOTK-DNQXCXABSA-N 442.644 5.697 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)c(C)c(Br)c1)NCC 2063094786 KPXBIJCLRGHVIS-DLBZAZTESA-N 431.802 5.011 30 10 IKEE C=C1CCC(C[C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CC1 2075723410 DHONMSYVGNNDCJ-MHZLTWQESA-N 428.572 7.015 30 10 IKEE CCc1nn([C@@H](c2ccc(C3CC3)cc2)C2(C)CC2)c(I)c1/C=N/O 2079005723 OSVAPOQWFKEDNG-YPKZHZFPSA-N 449.336 5.125 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)c(C)c(Br)c1)NC 2111264378 MKWYTGUBXPIRCK-QZTJIDSGSA-N 445.829 5.401 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)C1CC2(C1)CC2(F)F 2130896706 XPEPFXPJYPJAKN-HBSPSFQMSA-N 427.289 5.518 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCCO[C@H]1C(C)(C)C 2160258462 PXNOVMQZRMHJNA-LAUBAEHRSA-N 437.378 5.678 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(Br)cc2C#N)c2ccccc21 2174810592 OBHYPMHYEVCGPO-QGZVFWFLSA-N 428.330 5.428 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)C1(C#N)CC2(CCC(N)CC2)C1 2176715042 VATXKVNAKILOCR-UHFFFAOYSA-N 434.378 5.134 30 10 IKEE CC(C)(C)OC(=O)NC1(c2ccc(Nc3ccc(Br)cc3C#N)cc2)CC1 2206281141 HULOKZXEILCRGR-UHFFFAOYSA-N 428.330 5.578 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@@](C)(CNC(=O)OC(C)(C)C)C(F)(F)F)NCC 2216270135 CGDQQHYBXWUAAB-KNQAVFIVSA-N 444.538 5.221 30 10 IKEE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1(C#N)CCCCCC1 2243909909 DPFADJMBUPCTGS-UHFFFAOYSA-N 445.563 5.036 30 10 IKEE CC[C@@H](C)N(Cc1ccccc1)C(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1Cl 2256016860 OFPQSMCOCUWVIP-MRXNPFEDSA-N 445.771 5.219 30 10 IKEE C=CCCC1([C@H](Cc2cccc(Br)c2)NCC)CN(C(=O)OC(C)(C)C)C1 2281055643 JJCQAGWSVWVZLX-IBGZPJMESA-N 437.422 5.173 30 10 IKEE O=C(Oc1ccc(Cl)cc1C(=O)C=Cc1cccs1)c1ccccc1Br 2295982189 ZNEXTHWTEFPJDX-UHFFFAOYSA-N 447.737 6.279 30 10 IKEE CCCC[C@H](NC(=O)OC(C)(C)C)[C@@H](C#Cc1cccc(Br)c1)NCCC 2296219946 SXFFNFDVXVGLAI-UXHICEINSA-N 437.422 5.252 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)c1csc(CNC(=O)OC(C)(C)C)c1 2296310018 DGKQCCPYZFKYDO-IBGZPJMESA-N 449.414 5.238 30 10 IKEE Cc1cccc(-n2cc(C=NNC(=S)Nc3ccccc3)c(-c3cccc(Cl)c3)n2)c1 2296404905 BLCWIIDAQDFCPC-UHFFFAOYSA-N 445.979 5.822 30 10 IKEE O=C1C(=CNc2cccc(Cl)c2)S(=O)(=O)N(Cc2ccc(F)cc2)c2ccsc21 2297378381 IWOSTKKZVPRKSD-UHFFFAOYSA-N 448.928 5.027 30 10 IKEE COc1ccc(C=CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1Br 2297482019 MAHBDAMBCSTTSA-GFCCVEGCSA-N 431.355 5.168 30 10 IKEE C=CCN1C(=O)C(=C2Sc3ccccc3N2C)SC1=Nc1cccc2ncccc12 2297504930 XHBNXJZTCBXPRU-UHFFFAOYSA-N 430.558 5.395 30 10 IKEE C[C@@H]1[C@@H](C)[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)CCN1C(=O)OC(C)(C)C 2304200984 VFJVCCVUOVXGCB-QZTZHPFYSA-N 435.609 5.484 30 10 IKEE C=CCN1C(=O)C(=Cc2cc(Br)ccc2OCc2ccccc2)SC1=S 2313538497 LCHFEKUXJXRYBW-UHFFFAOYSA-N 446.391 5.415 30 10 IKEE CCN1C(=O)C(=Cc2ccccc2[N+](=O)[O-])SC1=Nc1nc(-c2ccccc2)cs1 2314544036 RRAHPTCEJBGAAK-UHFFFAOYSA-N 436.518 5.342 30 10 IKEE O=C1C(=CC=Cc2ccccc2)SC(=NN=Cc2ccc(Cl)cc2)N1Cc1ccco1 2314819114 SOJHFCZKWQZDRS-UHFFFAOYSA-N 447.947 5.996 30 10 IKEE N#Cc1c(Cl)cccc1Oc1cc(Br)cc(I)c1 2316687310 BELTVLOEWVGFKL-UHFFFAOYSA-N 434.458 5.371 30 10 IKEE CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1c(C)n(CC)c2ccccc12 2318582164 XUZHCIMVFDFJKI-UHFFFAOYSA-N 448.552 5.206 30 10 IKEE C[C@@H](c1ccccc1)N1COc2ccc3c(c2C1)OC(=Cc1ccc(N(C)C)cc1)C3=O 2322092158 FOUIHKUSQVZHPZ-SFHVURJKSA-N 426.516 5.282 30 10 IKEE O=C1C(=Cc2ccc3c(c2)OCO3)Oc2c1ccc1c2CN(C2CCCCCCC2)CO1 2322178888 CPUAXRCRNASKOE-UHFFFAOYSA-N 433.504 5.296 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(F)cc1)C3=O)CN(C13CC4CC(CC(C4)C1)C3)CO2 2322437000 AQSSXQRTPDBVHB-UHFFFAOYSA-N 445.534 5.871 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)cc(C)c3C2=O)cc1 2322737926 UBKTWKURLHIJFX-UHFFFAOYSA-N 440.539 6.690 30 10 IKEE Cc1c(OC(=O)Cc2ccccc2)ccc2c1OC(=Cc1ccccc1Br)C2=O 2322884789 VZNHGXBDLCJPBD-UHFFFAOYSA-N 449.300 5.522 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc(Cl)c(Cl)c4)c3C)C2=O)o1 2323260013 KLCATSYQUJXWKH-UHFFFAOYSA-N 429.255 6.039 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cccc(OCc2c(F)cccc2Cl)c1 2323289108 VBRFMQLWALJMPN-UHFFFAOYSA-N 445.317 6.925 30 10 IKEE CCCOc1ccccc1C=CC(=O)Oc1ccc2c(c1C)OC(=Cc1cccs1)C2=O 2323341462 BKCDAKGTGAKUHA-UHFFFAOYSA-N 446.524 6.080 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1Cl)NC1CCCCC1 2323396336 YSSAKHJQIWGNHN-UHFFFAOYSA-N 447.962 6.217 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1 2323921432 NEGRNIXAIYPMEU-UHFFFAOYSA-N 433.479 5.528 30 10 IKEE Cc1cc(O)c(CN(C2CCCCC2)C2CCCCC2)c2c1C(=O)C(=Cc1ccccn1)O2 2324044653 NGIDFVAXEKLBIQ-UHFFFAOYSA-N 446.591 6.179 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OCc1cccc(C)c1 2324055057 OPUWPLQFUPMWRV-UHFFFAOYSA-N 448.990 7.430 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3cc(C)cc(C)c3OC)cc2)o1 2324358572 FRYWYXBPIQXDPV-UHFFFAOYSA-N 434.488 5.557 30 10 IKEE CCc1ccc(OCCCOc2ccc3c(c2C)OC(=Cc2cccc(OC)c2)C3=O)cc1 2324662189 XLFBQPORIYGMEO-UHFFFAOYSA-N 444.527 6.030 30 10 IKEE CCOC(=O)c1ccc(COc2cc(C)c3c(c2)OC(=Cc2ccc(CC)cc2)C3=O)o1 2325402529 VEVHECGZXYYDPI-UHFFFAOYSA-N 432.472 5.522 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc(OC)cc1 2325535313 LYSBAZKTKVSBDF-UHFFFAOYSA-N 449.407 6.111 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O)Nc1ccc(F)c(Cl)c1 2325592827 RIQQDXJSHZOOKR-UHFFFAOYSA-N 441.817 5.252 30 10 IKEE COc1cccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(Cl)cc3Cl)c2)c1 2325709202 JVEAQHFTEGCRGX-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE C[C@@H](Oc1ccc(Cl)cc1)C(=O)Oc1cccc(C=CC(=O)c2cccc(Cl)c2)c1 2325728594 ZBJIKHMXPOAERC-MRXNPFEDSA-N 441.310 6.262 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2cccc(C=CC(=O)c3ccc(Cl)c(Cl)c3)c2)c1 2325737374 CMYIIUWIPZRDPK-UHFFFAOYSA-N 425.311 6.726 30 10 IKEE Cc1ccc2oc(=O)cc(COc3cc(C)c4c(c3)OC(=Cc3ccccc3F)C4=O)c2c1 2325741538 FKCZSRDKBNOJKM-UHFFFAOYSA-N 442.442 5.744 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)c3cccc(C)c3)c2)cc1C(C)C 2325754075 GNNADFFJVGXPFN-UHFFFAOYSA-N 428.528 6.551 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2cccc(C=CC(=O)c3c(C)cc(C)cc3C)c2)cc1 2325764800 XUKGDWWDEHNKOW-UHFFFAOYSA-N 428.484 5.652 30 10 IKEE CCCSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1ccc(Cl)cc1 2326409290 ICGCYEDAAMDRJX-UHFFFAOYSA-N 443.016 5.944 30 10 IKEE CCOc1ccc(C=Nn2c(C)nnc2SCc2cccc(Cl)c2)c(OCC)c1 2326467740 NYXHXODZSMCSFM-UHFFFAOYSA-N 430.961 5.212 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccc(OCC)cc1 2327549015 BGPACINPDKJKML-UHFFFAOYSA-N 442.972 5.460 30 10 IKEE Cc1ccc(CSc2nnc(CCCOc3ccccc3)n2N=Cc2ccc[nH]2)cc1 2328711741 QFPDUGADABYZOT-UHFFFAOYSA-N 431.565 5.101 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)cc2C)n1N=Cc1ccc(C(C)C)cc1 2328895889 SNGHDNPKYOLGHG-UHFFFAOYSA-N 434.609 6.148 30 10 IKEE Oc1ccccc1C=Nn1c(Cc2ccc(Cl)cc2)nnc1SCc1ccccc1 2329101043 PSOIEWOEVTZOFJ-UHFFFAOYSA-N 434.952 5.402 30 10 IKEE CCCSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1c(OC)ccc2ccccc12 2330124112 CMCPGKCNRBXDED-SFHVURJKSA-N 430.577 5.976 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC(=O)CC 2330611235 IIVPUYZONFJVRF-UHFFFAOYSA-N 426.512 6.302 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3F)c(OC)c2)cc1 2330849601 VMBRLSMREKBEFC-UHFFFAOYSA-N 432.491 6.292 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3OC)c([N+](=O)[O-])c2)cc1C 2330867258 HMFZDFNFTYEKTF-UHFFFAOYSA-N 447.443 5.036 30 10 IKEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)[C@@H](C)c1ccccc1 2331048534 WWAPJJIQLQJUES-KRWDZBQOSA-N 431.444 5.209 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2cccc(Cl)c2)cc1OCC 2331129407 XZPJBHJTHKKEOG-UHFFFAOYSA-N 449.374 7.164 30 10 IKEE CC(C)(C)CC(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1Cl 2331242401 YAVBVOMWRMOOAW-UHFFFAOYSA-N 425.739 6.885 30 10 IKEE CCOc1c(C=Nn2c(CC(C)C)nnc2SCc2cccc(C)c2)cccc1OC 2331440421 QAFDNEPXBPJLMU-UHFFFAOYSA-N 438.597 5.367 30 10 IKEE CCCc1nnc(SCC(=O)Nc2ccccc2CC)n1N=Cc1ccccc1Cl 2331635347 PIFUBBFQTXMKHO-UHFFFAOYSA-N 441.988 5.059 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3c(C)c(C)cc(C)c3C)cc2OC)c1 2331657444 JQKQSUPUGHOESF-UHFFFAOYSA-N 444.527 6.053 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2cc(OC)c(Cl)cc2OC)cc1 2331687531 ZPCGTHFZGAIENI-UHFFFAOYSA-N 430.928 6.129 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(OC)c(Cl)cc2OC)ccc1OC(=O)C(C)C 2331692669 AUAPTFSJYOXDGY-UHFFFAOYSA-N 432.900 5.213 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C(C)C)cc1 2331716215 BXWDPAIOHUEGOJ-UHFFFAOYSA-N 430.980 6.492 30 10 IKEE CCCOc1c(C=Nn2c(SCc3cccc(C)c3)nnc2C2CC2)cccc1OC 2331731272 WLNDUFRQZLNSBX-UHFFFAOYSA-N 436.581 5.436 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)CC)c(OCC)c2)c(OCC)c1 2331736462 QIZDQTUUMOPPMG-UHFFFAOYSA-N 446.927 5.748 30 10 IKEE N#Cc1nnn(Cc2ccccc2Cl)c1NC(=O)C(=Cc1ccccc1)c1ccccc1 2332148883 NHGQYSAWLXBVIZ-UHFFFAOYSA-N 439.906 5.031 30 10 IKEE CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339597364 QEKKSUSBKXDKRO-RBUKOAKNSA-N 446.397 5.187 30 10 IKEE CO[C@@]1(C)C[C@H]2C[C@@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2356217496 XOUSCIQRPDEWQL-RPQNVMPDSA-N 435.362 5.288 30 10 IKEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1c(Cl)ccc(Cl)c1Cl 2364579887 IBUMBXNCWOLUMM-HNNXBMFYSA-N 434.795 5.790 30 10 IKEE CCOC(=O)c1c(-c2ccccc2Cl)csc1/N=C/C=C/c1ccccc1[N+](=O)[O-] 3233356 RSXFXNOVNXDWGY-APLRVFJTSA-N 440.908 6.569 30 10 IKEE COc1ccc2cc3c(nc2c1)S/C(=N\Cc1ccco1)N(Cc1ccc(C)cc1)C3 12879984 MLYWSHPYVAUXKE-QPLCGJKRSA-N 429.545 5.809 30 10 IKEE O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@@H](c1ccc(Cl)cc1)n1c(nc3ccccc31)N2 19639408 IDPHRNQQUJRBPG-SSOJOUAXSA-N 443.909 6.245 30 10 IKEE O=C(CSc1n[nH]c(N/N=C/c2cccc3ccccc23)n1)C1C2CC3CC(C2)CC1C3 20905266 LCGYOPGZWFNFGR-LGJNPRDNSA-N 445.592 5.137 30 10 IKEE C=CCCC(O)(CCC=C)c1ccc(CN(Cc2cccc(OC)c2OC)C(C)C)o1 36202362 JEAGDSGHAHMEPR-UHFFFAOYSA-N 427.585 5.827 30 10 IKEE C=CCC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC1CC1 36307793 PGUDAGBVZDGKMW-QHCPKHFHSA-N 449.570 5.558 30 10 IKEE Cc1ccc(C)c(COc2ccc3c(c2)O/C(=C\c2c(Cl)cccc2Cl)C3=O)c1 38320950 GGRXBHRJLRRXQO-FMCGGJTJSA-N 425.311 6.805 30 10 IKEE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\Oc3ccc(C)cc3C2=O)cc1C 39842425 GOYXBMSEKZDHFE-PKAZHMFMSA-N 448.522 6.337 30 10 IKEE Cc1cc(OC(=O)c2cccs2)cc2c1C(=O)/C(=C/c1ccc(-c3ccccc3)cc1)O2 41283968 NTXUVVMAFHLUJR-HAHDFKILSA-N 438.504 6.559 30 10 IKEE Cc1cc(OC(=O)Cc2cccs2)cc2c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O2 41354641 YFKXERXBGXIDQQ-XKZIYDEJSA-N 432.541 6.118 30 10 IKEE CCN1/C(=C/C=C2\CC/C(=C3/Sc4ccccc4N3CC)C2=O)Sc2ccccc21 100265660 IKXDZJWYHLIPJC-LSDMZDAJSA-N 432.614 6.593 30 10 IKEE CCCCCCCCCCn1c([C@H]2CC(=O)N(c3ccccc3F)C2)nc2ccccc21 102202744 JEOIJJBNCNEIGZ-NRFANRHFSA-N 435.587 6.837 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@H]2c2cccc(OC)c2)cc1 169931242 LGAFHBDEFZMXLT-VWLOTQADSA-N 441.527 5.603 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCC)cc1 169976151 DYGSYYWKQZGEII-HSZRJFAPSA-N 437.536 5.253 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1cccs1 169985988 MTXPWSOULLSGLU-LJQANCHMSA-N 443.883 5.332 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccco2)cc1 170067099 UYHUBJWGFZICHI-QFIPXVFZSA-N 435.907 5.835 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(C(C)C)cc2)ccc1F 170068138 HQQAGINSUPAJFF-XMMPIXPASA-N 444.506 5.431 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccccc2F)cc1C 170072540 QMFQQXOMDYQIMY-HSZRJFAPSA-N 449.453 5.060 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cn(C)c3ccccc23)cc1 170085675 NCMVSDAPLARFNF-DEOSSOPVSA-N 428.532 5.262 30 10 IKEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccco2)c1 170089776 XMPGPXVUZHIHHE-OAQYLSRUSA-N 437.879 5.505 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccco2)cc1Cl 170092167 QWWJDQCUPYDUBL-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccco2)cc1Cl 170092342 PTQSTMRDHWXVGN-QFIPXVFZSA-N 437.879 5.044 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccc(C)c2)cc1C 170139289 BIRNUBQPTRQAOO-HSZRJFAPSA-N 447.556 5.460 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2C2CCCC2)c1 170148606 PCQAMOMQWAOCON-XMMPIXPASA-N 433.548 5.551 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccccn1)c1ccc(Cl)cc1 170173570 DSVBAHDKYFRRJO-IBGZPJMESA-N 425.271 5.171 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccn2)cc1C(C)C 170181992 QWSBFJHREDZXSZ-QHCPKHFHSA-N 434.536 5.043 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@H]1c1cccnc1 170191047 JXZWWIXDZUDIPE-XMMPIXPASA-N 442.515 5.208 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccnc2)ccc1Cl 170194111 KFHDIZJEZWVNKE-NRFANRHFSA-N 440.927 5.045 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccncc2)cc1C 170202191 GKXHZDVMZFAXGJ-DEOSSOPVSA-N 442.515 5.269 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccncc2)ccc1Cl 170204364 FJYMXLIOQZGTDP-JOCHJYFZSA-N 448.906 5.225 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccncc2)cc1C(C)(C)C 170211923 ZBVTWPOKDXWRAG-HSZRJFAPSA-N 448.563 5.299 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C2CCCC2)cc1 170214712 BSHNPNMOUCAASS-RUZDIDTESA-N 441.527 5.759 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3cc(OC)ccc3Cl)=C(O)C(=O)N2CCC)cc1 170215740 XPTQGGYRSIOTPM-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccc(O)c2)cc1C 170260021 FVXXWLIUHGLMAM-XMMPIXPASA-N 443.499 5.109 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccco1 170281744 DERMIXRUDKUVRX-JOCHJYFZSA-N 433.479 5.808 30 10 IKEE Cc1nc(-c2ccccc2)sc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccco1 170286451 VJASKYCTYIIGNW-FQEVSTJZSA-N 442.496 5.494 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccc(C)o2)c1 170297739 HTWSHYXVCTUSEY-XMMPIXPASA-N 439.467 5.533 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@H]1c1sccc1C 170319237 MENZIAMELYKLMU-IBGZPJMESA-N 447.984 5.877 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cccc(OCC(C)C)c2)c1 170365683 AJFRHFMOQKNDPO-HSZRJFAPSA-N 447.556 5.874 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2C)cc1Cl 170397190 ICEVXSRRTZVHOI-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE O=C(Nc1cc(Cl)ccc1Cl)C(=NNc1ccc(Cl)cc1)C(=O)c1ccccc1 252617378 KRMHUPHTIHZVRU-UHFFFAOYSA-N 446.721 5.936 30 10 IKEE Cc1ccc(N=C2S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2ccc(F)cc2)cc1 254708412 FXWQUBPOHIDIGV-APPJTMTASA-N 447.560 6.313 30 10 IKEE CCCCN1C(=O)/C(=C2\Sc3ccccc3N2CC)SC1=Nc1ccc(OC)cc1 254762946 UAVDEMZBOXQRKS-QLMUGPIMSA-N 439.606 5.860 30 10 IKEE CC(=NOCc1cccc(C#N)c1)c1cc(-c2ccc(F)cc2)n(-c2cccc(C)c2)c1C 263632171 LVRLFUCMBKIRTN-UHFFFAOYSA-N 437.518 6.713 30 10 IKEE COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)c1 526490265 VARKYUMZFOAYDF-VWLOTQADSA-N 438.527 5.922 30 10 IKEE CC(C)COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccc(F)c2)c1 526516378 MWLBHFZEQKZOQW-VWLOTQADSA-N 442.490 5.789 30 10 IKEE N#Cc1cccc(NC2=C(Sc3ccccc3)C(=O)N(c3ccc4ccccc4c3)C2=O)c1 526657922 NDMIKEOFHDLXPN-UHFFFAOYSA-N 447.519 5.701 30 10 IKEE CCCCOc1cccc(/C=N\n2c(CCCC)nnc2SCc2cccc(F)c2)c1 526826239 XGNWLBXOZQHQRF-ONUIUJJFSA-N 440.588 6.113 30 10 IKEE COc1ccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2cccc(F)c2)cc1 526826317 ZJPJKOBASIOYKZ-PKAZHMFMSA-N 446.551 5.386 30 10 IKEE CC1(C)O[C@@H]2C(=O)C=C(COCC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H]2O1 642882964 ZHBFUVNCOHXMAI-RRPNLBNLSA-N 440.539 5.067 30 10 IKEE N#Cc1cc(Cl)ccc1[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 687754184 YVEFWCZMRGSEEZ-QHCPKHFHSA-N 446.890 5.266 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2C[C@](C#N)(N(C(=O)OC(C)(C)C)c3ccccc3)CC[C@H]2C1 698441560 BCTCOYQKUBZBGF-OSWQYVSFSA-N 441.572 5.357 30 10 IKEE O=C1/C(=C\c2ccc(Cl)cc2)S/C(=N/N=C/c2ccc(F)cc2)N1Cc1ccco1 1615301807 LILHSSWAMSKYEZ-RZBRCAFVSA-N 439.899 5.579 30 10 IKEE COc1ccc(C(=O)ON=C2CC(C)(C)Cc3c2cc(C)n3-c2cc(C)cc(C)c2)cc1 1772728259 BCIIKTZJHLGLHS-UHFFFAOYSA-N 430.548 5.945 30 10 IKEE Cc1c(N=Nc2ccccc2C(=O)c2ccccc2)c(O)n(Cc2ccccc2)c(=O)c1C#N 1772741364 IGYNBEPVFAFONY-UHFFFAOYSA-N 448.482 5.429 30 10 IKEE Cc1sc(NC(=O)c2c3c(nc4ccc(Br)cc24)CCC3)c(C#N)c1C 1859647621 ZTSHYMTZVAZDQR-UHFFFAOYSA-N 426.339 5.288 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)c1ccc2nc(C)c(C)nc2c1 1861396233 LVYLFWXRBHZGSH-QFIPXVFZSA-N 426.605 5.012 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@@H]2c2cccc(Br)c2)cc1 1862399219 BELPVJKTHROTNT-HXUWFJFHSA-N 442.353 5.390 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(O)cc1 1862411348 FOTHLJIPLSBSRG-FPTDNZKUSA-N 435.426 5.010 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@H]2c2ccccc2)cc1 1862429701 SUNBGXNVSPTVJR-MZNJEOGPSA-N 445.946 6.242 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccccc1C 1862430002 ZVDZYOIIMCOVBH-FDDCHVKYSA-N 439.983 6.586 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2cccs2)cc1 1862431859 PZIAELZSIDXGPL-HXUWFJFHSA-N 439.920 5.189 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccccc2)cc1 1862433496 DEEBRAHIMSXGMR-HSZRJFAPSA-N 447.918 5.517 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1cccc(OCC)c1 1862460661 YQDAQERLIAYZTA-NRFANRHFSA-N 447.453 5.271 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)cc1OC 1862481252 ARFHJAHNTCOKKS-GERBCZOESA-N 449.547 5.169 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(C)cc1 1862486840 MIFOMBYWYCIAAD-RDGATRHJSA-N 433.592 6.549 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(Cl)cc2)ccc1F 1862503092 PKWMDAZQTPFHKN-JOCHJYFZSA-N 441.930 6.089 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862507561 OGSHJWDFJAJCJR-QHCPKHFHSA-N 433.454 5.360 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1cccc2ccccc12)c1cccc(Br)c1 1862528242 RLOAWFBCKHYWTI-NRFANRHFSA-N 448.316 5.343 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(N(C)C)cc2)cc1 1862532364 BSRAYNLESWJVIF-VWLOTQADSA-N 446.591 5.616 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(C(=O)O)cc2)cc1 1862534237 RKQCWZUJDADQFB-QHCPKHFHSA-N 447.531 5.248 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(F)cc1F 1862559984 AZBIVLMKFWNNFE-PGRDOPGGSA-N 442.506 5.484 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2cccc(C)c2)cc1OC 1862576643 YRMIKLJFAVHQTF-PWAGRJGVSA-N 449.547 5.169 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1ccccc1 1862637406 YADJUXVGNHJVNR-AUSIDOKSSA-N 439.527 5.772 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1c(F)cccc1Cl)c1cccc2ccccc12 1862654320 ZBMKJUXLEJHUNB-QHCPKHFHSA-N 449.909 6.153 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(O)c(O)c2)cc1 1862662641 JSRLBQDVNFGZDT-QFIPXVFZSA-N 449.528 5.061 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862679903 PSYWDPNDUQYJGJ-ZHRRBRCNSA-N 425.500 5.381 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(O)cc1)c1ccc2ccccc2c1 1862713458 PERYUIKCXRROKG-RUZDIDTESA-N 435.479 5.324 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1c(F)cccc1Cl 1862718958 GGQHJXNRBYTLRR-JOCHJYFZSA-N 437.898 6.011 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccccc1C 1862721889 LEGICZNIOVWCTL-VWLOTQADSA-N 441.527 5.277 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(Cl)cc3)C2=O)c(C)c1 1862796690 AUANEDIKRZUUEL-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(F)c(C)c3)C2=O)c(C)c1 1863092309 DUNZJZHOSBGCJT-UHFFFAOYSA-N 425.463 5.019 30 10 IKEE CC(C)[C@@H](C(=O)NC(C)(C)C(=O)Nc1ccccc1C#N)c1ccc(Cl)c(Cl)c1 1866988710 MXMCQSKFMFKQOU-LJQANCHMSA-N 432.351 5.138 30 10 IKEE C=CCn1cc(OCC(=O)Nc2cccc3ccccc23)c(=O)cc1CSC(C)(C)C 1870195823 ZDOVBQBYNVKBEY-UHFFFAOYSA-N 436.577 5.237 30 10 IKEE CCCCCCCCn1cc(OCc2c(C)noc2C)c(=O)cc1CN1CCC[C@H](C)C1 1870565262 BCUQJBNFNSZMAG-FQEVSTJZSA-N 443.632 5.625 30 10 IKEE C=CCn1cc(OCCCOc2ccc(Cl)cc2)c(=O)cc1CN1C[C@@H](C)C[C@H](C)C1 1870778529 BQXVFRKIWQJART-PMACEKPBSA-N 445.003 5.014 30 10 IKEE C=CCOc1cn(C[C@H]2CCCO2)c(CNc2ccc(-c3ccccc3C)cc2)cc1=O 1870810955 ZTEXZLWKOBUWGF-XMMPIXPASA-N 430.548 5.180 30 10 IKEE CCCCCCCOc1cn(CCCCCCO)c(CNc2ccc(C)c(C)c2)cc1=O 1870839187 OQLUFZCCEBXXLB-UHFFFAOYSA-N 442.644 5.979 30 10 IKEE C#CCOc1cn(CCc2ccc(C)cc2)c(CNc2cccc(C(F)(F)F)c2)cc1=O 1871004618 PFDWYQOKSVXPHB-UHFFFAOYSA-N 440.465 5.042 30 10 IKEE CCCCCCCCCCn1cc(OCCC)c(=O)cc1CNc1ccc(N(C)C)cc1 1871105902 FSBXQOKAHFCCNF-UHFFFAOYSA-N 441.660 6.456 30 10 IKEE CCCCCCCCCCN=c1[nH]c(Nc2ccc(OC)c(OC)c2)ncc1[N+](=O)[O-] 1871304502 XOUJJYPLLMAANR-UHFFFAOYSA-N 431.537 5.120 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(Cl)cc1)O3)CN(CCCOC(C)C)CO2 1871346078 CNCDXDUXRSAYDU-MTJSOVHGSA-N 427.928 5.232 30 10 IKEE Cc1cc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(F)cc2)C3=O)ccc1[N+](=O)[O-] 1871373332 ADQXGTZWKNWJMH-MTJSOVHGSA-N 433.391 5.186 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc(C)c3C2=O)cc1 1871376222 ZVRCOUUOCXVRFZ-FMCGGJTJSA-N 443.455 5.609 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)o2)C3=O)c(C)c1 1871414063 RGVIECKVQLDCTD-NVIPHDJISA-N 431.488 5.535 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2Cl)C3=O)c(C)c1 1871418639 DPJIYPQGIMNISC-QRVIBDJDSA-N 447.918 5.899 30 10 IKEE CCCCCCOC(=O)COc1ccc2c(c1C)O/C(=C\c1cccc(Cl)c1)C2=O 1871422332 WFASAUUEEMWLMD-STZFKDTASA-N 428.912 5.767 30 10 IKEE Cc1cc(OC(c2ccccc2)c2ccccc2)cc2c1C(=O)/C(=C/C=C/c1ccccc1)O2 1871430900 ITBRBVKKAUKMNU-AXPMKODPSA-N 444.530 7.336 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(CC)cc2)[nH]c(N2C[C@@H](C)C[C@H](C)C2)n1 1871585880 UYONFSKZGYFAHJ-SFTDATJTSA-N 438.664 5.854 30 10 IKEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1871817029 MMWAXZLFPVYHGY-OAQYLSRUSA-N 442.625 5.240 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1 1872556220 ADVDHECHKOSBEW-DEOSSOPVSA-N 442.625 5.376 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(C(C)(C)C)cc3)n2)cc1F 1872775006 IKJLETLLSROBDV-SSVWKNEZSA-N 434.536 6.145 30 10 IKEE C=CCc1ccccc1OCc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1 1872859336 LTBKDFIDSRVFCZ-UHFFFAOYSA-N 435.523 7.039 30 10 IKEE CCCOc1ccccc1/C=N/n1c(CCCOc2c(C)cccc2C)nnc1SC 1874224905 JBRGPCVZTSAZDK-KOEQRZSOSA-N 438.597 5.299 30 10 IKEE C=CCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(OC)cc1OC 1874270077 DJXPYKUZEHISIT-YZSQISJMSA-N 444.560 5.200 30 10 IKEE C=CCSc1nnc(CCc2ccc(OC)cc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874307094 FWBZYFNOCCKCBN-NLRVBDNBSA-N 434.609 5.530 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(Cl)cc3)n2/N=C/c2ccccc2O)c1 1874336288 ITIPYCXZRYSHAY-CVKSISIWSA-N 448.979 5.711 30 10 IKEE C=CCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1c(OC)ccc2ccccc12 1874342729 GKUAQFOAOHPPNU-WGOQTCKBSA-N 448.979 5.844 30 10 IKEE CCCSc1nnc(COc2ccccc2)n1/N=C/c1cc(Br)ccc1F 1874385353 LBEANCSIAFPBQK-WSDLNYQXSA-N 449.349 5.143 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccccc1O 1874394222 HGEQZEVVMSWKDY-CIRUFVMISA-N 432.524 5.449 30 10 IKEE Clc1cccc(CSc2nnc(-c3cccs3)n2/N=C/c2c[nH]c3ccccc23)c1 1874424708 ZFEUXIJNHUSFGX-DHRITJCHSA-N 449.992 6.316 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2[C@H]2CCCO2)cc1 1874450862 LNWPAYBHAFSAKL-QVHMZZSFSA-N 447.391 5.919 30 10 IKEE CCCCc1nnc(SCC)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1874477391 XYTBNFLLFAHUOG-BUVRLJJBSA-N 428.989 5.847 30 10 IKEE COc1cc(/C=N/n2c(SCc3ccccc3F)nnc2C2CCC2)cc(Cl)c1O 1874495349 GXEXAJPBYIXGGE-BHGWPJFGSA-N 446.935 5.227 30 10 IKEE CCCc1nnc(SCc2ccccc2F)n1/N=C/c1cccc(Br)c1 1874507780 UUSMALRACIYZRT-WSDLNYQXSA-N 433.350 5.307 30 10 IKEE CC(C)COC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1cccc([N+](=O)[O-])c1 1874570253 TXZZACYHLJBTAH-VAWYXSNFSA-N 433.460 5.222 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2c(OCC(=O)OCC(C)C)ccc3ccccc23)cc1 1874573196 AINNDWHQVDBNIB-WUKNDPDISA-N 444.571 6.657 30 10 IKEE O=C(/C=C/c1cc(Br)ccc1OCc1ccc(F)cc1)c1ccc(Cl)cc1 1874577590 VWXIAJZYIOBIBB-VZUCSPMQSA-N 445.715 6.717 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccccc2OCc2cccc(Cl)c2)c(OCC)c1 1874589430 LHCGJXJJIQEFHU-NTCAYCPXSA-N 436.935 6.613 30 10 IKEE C=C(C)COc1c(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc(Br)cc1OC 1874591646 VQQVHYZPGXKPMF-BQYQJAHWSA-N 445.353 5.934 30 10 IKEE COc1cc(C(=O)/C=C/c2cccc(OCc3ccccc3F)c2)c(OC)cc1Cl 1874598885 KOXYBUWCVXRNCF-ZHACJKMWSA-N 426.871 5.971 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)OCC(C)C)c(Br)c2)cc1 1874616228 OWFRSVOZCYKIFU-UXBLZVDNSA-N 431.326 5.232 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCc3cc(C)ccc3C)c(OCC)c2)cc1 1874617322 WCENMRLGNLOSIB-OQLLNIDSSA-N 444.571 6.966 30 10 IKEE C=C(C)COc1ccc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc1Br 1874633638 NLWOOWYMKHYTQH-FNORWQNLSA-N 435.745 6.271 30 10 IKEE O=C(Cc1cccc2ccccc12)Oc1cccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c1 1874693392 CRFNWXUOQKVHCC-OBGWFSINSA-N 446.546 6.763 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)c2)cc1C 1874696046 GCNUFABAGJIPKC-VGJPLKPLSA-N 446.930 6.262 30 10 IKEE O=C(COc1ccccc1)Oc1cccc(/C=C/C(=O)c2ccc(Br)cc2)c1 1874696675 AZEJSRPKZZZMOC-NTEUORMPSA-N 437.289 5.330 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cccc(OC(=O)c2ccccc2-c2ccccc2)c1 1874698689 JKTSKZKLWSORBK-VHEBQXMUSA-N 434.491 6.478 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OC(=O)Cc1cc(C)ccc1C 1874701384 PYPZFCAJFKGHTA-FMIVXFBMSA-N 428.528 5.973 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OC(=O)Cc1ccc(F)c(C)c1 1874701504 WGNPNGDZRVNESD-YRNVUSSQSA-N 432.491 5.804 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OC(=O)Cc1ccccc1F 1874709904 OVUANQFKYPPRES-UXBLZVDNSA-N 426.390 5.157 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccccc3OC)c2)cc1C 1874718392 WYISFDPOHPRIPB-ZRDIBKRKSA-N 446.499 5.445 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2cccs2)CSc2nnc(C3CCCC3)n21 1874929363 IPAHWYPXKUROQJ-GOSISDBHSA-N 432.659 6.059 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](c2cccs2)CSc2nnc([C@H]3CCCO3)n21 1874938394 VHPJDBPRGSVHRX-IAGOWNOFSA-N 434.631 5.253 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(Cl)cc3)cc2)cc1OC 1875098878 MHMUIFNHKGSSKI-NTUHNPAUSA-N 436.891 5.401 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3ccc(C)cc3)c(OC)c2)cc1C 1875107216 GDJPCRRCZKEDNS-XYOKQWHBSA-N 446.499 5.445 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Br)cc3)cc2)cc1 1875108790 GPSJPNRGIPRNQP-FRKPEAEDSA-N 435.317 6.127 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc([N+](=O)[O-])c1OC(=O)Cc1ccccc1 1875126926 GUVKVUBOTHGSMN-BUHFOSPRSA-N 431.444 5.038 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)c1ccc(C)c(C)c1 1875129303 UUOORHAUSMCZKC-FYWRMAATSA-N 426.512 6.156 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc(Cl)c1OC(=O)C(C)C 1875133928 GBGMAOUKKHLIJF-QPJJXVBHSA-N 427.711 6.113 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)C3CCCC3)c(OC)c2)cc1 1875136541 PSJRWMIUDZKARD-MDWZMJQESA-N 442.939 6.129 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c(OC)c1 1875179125 UQVORAILVSDCRD-NTUHNPAUSA-N 447.443 5.036 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)cc3)c(Cl)c2)c(C)c1 1875182523 HQLJCZIOEVKKKZ-ONNFQVAWSA-N 439.338 7.034 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)CCc1ccccc1C 1875184481 CYXGSLICGDEIKA-JLHYYAGUSA-N 442.555 6.363 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cc(OC)c(OC(=O)C3CCCC3)c(OC)c2)cc1C 1875186652 GNUNHTKICQMSOQ-ZHACJKMWSA-N 438.520 5.321 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2ccc(C)c(C)c2)cc1 1875192186 XXVXCRUKMWDBRO-XYOKQWHBSA-N 434.919 6.010 30 10 IKEE C=C(c1ccccc1)[C@@H](NC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1888681413 DRTASEOTPHCSHV-SSEXGKCCSA-N 435.567 6.819 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccccc3SC(F)F)cc21 1889678627 GJKXYPPKIZOUEC-UHFFFAOYSA-N 432.492 5.191 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3oc4ccc(Cl)cc4c3C)ccc21 1890807860 BBSGUVASYGJUDU-UHFFFAOYSA-N 438.911 5.585 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)[C@H](C)c3cccc4ccccc34)cc21 1891069345 UYHAOLPVJKJZEL-GOSISDBHSA-N 428.532 5.520 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(F)ccc1Br 1898381517 XRKKRKDFMBVZDS-ROUUACIJSA-N 429.374 5.488 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCC)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 1922112501 NDKLVLKIVLKWJO-RUZDIDTESA-N 436.596 5.403 30 10 IKEE CCCCCCCCC[C@H](NC)c1c(Br)sc(Br)c1Cl 1923080174 CHSZUTPJDJLBJT-NSHDSACASA-N 445.692 7.328 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[C@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 1997637872 JTXANHMCSLEIKF-DTVZVWBHSA-N 449.617 5.270 30 10 IKEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 1999926494 KTCIJTBWYICQRK-HOYKHHGWSA-N 435.609 5.486 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@@H]1C(C)C 2067959638 WOYPTIVYSAFEMT-NLFFAJNJSA-N 443.588 5.664 30 10 IKEE N#Cc1cn(C(c2ccc(F)cc2)(c2ccc(F)cc2)c2cccc(C(F)(F)F)c2)cn1 2069508169 RCSDKLCXJRPFMI-UHFFFAOYSA-N 439.387 5.892 30 10 IKEE COC(=O)c1c(C(C)(C)C)nn(Cc2cccc(C(F)(F)F)c2F)c1C(F)(F)F 2079025298 LZTRFFNFTVGOFV-UHFFFAOYSA-N 426.332 5.192 30 10 IKEE COc1ccc([C@@H](n2nc(C(F)(F)F)c(C=NO)c2Br)C(C)(C)C)c(C)c1 2079943676 FVIIOYKELFSQRN-OAHLLOKOSA-N 448.283 5.425 30 10 IKEE CC(C)[C@@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(C)(C)C)c(C#N)c1Br 2079945947 ODTLYIWLFBBVEE-HNNXBMFYSA-N 446.286 6.218 30 10 IKEE Oc1cc(-c2cc(C(F)(F)F)ccc2F)nc2c(Br)c(C(F)(F)F)nn12 2080892073 OZNZCTRXPBBLAC-UHFFFAOYSA-N 444.104 5.041 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]([C@](C)(C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 2082166093 OFZUDIOJEYUXOW-RRQZXNHTSA-N 449.636 5.922 30 10 IKEE CC1(C)C[C@@](C)(c2ccccc2)c2cc(F)cc3c2N1C(=O)/C3=C/C(=O)c1ccccc1 2087928572 ANSUJZXBEGRLOW-UJFVEGPDSA-N 425.503 5.927 30 10 IKEE CC(C)(C)OC(=O)NCCCCCCCC(=O)Nc1ccc(Br)cc1C#N 2181051847 ASBXBXQHTRZHPB-UHFFFAOYSA-N 438.366 5.125 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@](C)(C#N)c1ccc(CN)cc1 2187551151 JTFRAWOWFFBQIW-NRFANRHFSA-N 430.346 5.088 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)[C@H]1C[C@H]1c1ccccc1 2200293421 JPRGUGSMQGSHGJ-SLFFLAALSA-N 427.342 5.886 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(C)c(Br)cc1C 2201072360 ITWNNXOFYLVLTB-WOJBJXKFSA-N 439.438 5.966 30 10 IKEE Cc1cnc(Nc2ccc(NC(=O)OC(C)(C)C)cc2C)c(B2OC(C)(C)C(C)(C)O2)c1 2232306016 HRRIXRQKWLEKSJ-UHFFFAOYSA-N 439.365 5.088 30 10 IKEE CCN[C@H](C#Cc1ccccc1Br)c1cc(Br)c(Cl)s1 2235717335 BDDVWDPCJRYZFX-CYBMUJFWSA-N 433.596 5.629 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C 2235725022 GXIMMOGVFJOWST-MOPGFXCFSA-N 437.422 5.108 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1 2296260148 QWIDXUOJJBPJEV-DEOSSOPVSA-N 425.414 5.081 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C 2296308183 DVYFCLZXEQMKOA-RTBURBONSA-N 437.422 5.108 30 10 IKEE CCOc1ccc2ccccc2c1C=C1SC(=Nc2cccc(C(=O)O)c2)N(C)C1=O 2296373972 MYOJNBBTEKBGAU-UHFFFAOYSA-N 432.501 5.171 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cn(C)c4ccccc24)C3=O)cc1 2296871898 MCCWDRZGIFZKMH-UHFFFAOYSA-N 425.440 5.022 30 10 IKEE O=C1NC(=Nc2ccc(Br)cc2)SC1=Cc1cccc(Br)c1 2296883522 XDVQKYZJCLHCDN-UHFFFAOYSA-N 438.144 5.103 30 10 IKEE CC(C)c1ccc(C=C2Oc3c(ccc4c3[C@@H](c3cccc(O)c3)CC(=O)O4)C2=O)cc1 2297591761 SRRCNBDSXVCQOE-OAQYLSRUSA-N 426.468 5.573 30 10 IKEE CSC1(C#C[C@@H](N)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CC1 2299603523 GNTDBTAAZUHVCX-XMMPIXPASA-N 429.585 5.743 30 10 IKEE COc1cc(C=C2SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc(Cl)c1O 2313541632 RMSKLFRULTZDMJ-UHFFFAOYSA-N 429.712 5.253 30 10 IKEE O=C1C(=Cc2ccc(N3CCCCC3)o2)SC(=Nc2ccccc2)N1c1ccccc1 2313559911 BGJAFRNNYGUZSJ-UHFFFAOYSA-N 429.545 6.079 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)cc2)cc1)c1ccc(Br)cc1 2314429779 ONEKAJPDADGPFV-UHFFFAOYSA-N 425.253 5.704 30 10 IKEE O=C1NC(=Nc2ccc(Cl)cc2)C(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)S1 2314482836 XIISRWLACREXRH-UHFFFAOYSA-N 449.746 7.434 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(-c3cccc(Cl)c3)o2)SC1=Nc1nccs1 2314543057 URXZEDMDAZAZFQ-UHFFFAOYSA-N 427.938 5.847 30 10 IKEE CCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1cccc(OC)c1OC 2318575019 YDNUUTSVEAXLCE-UHFFFAOYSA-N 438.597 5.330 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)c1 2321309716 WSFHZGKOEKHGGS-PMACEKPBSA-N 441.572 5.418 30 10 IKEE CCCCSc1nnc(CCC)n1N=Cc1cccc(OCc2cccc(Cl)c2)c1 2321762426 GWDPJEVCRNGDOM-UHFFFAOYSA-N 443.016 6.237 30 10 IKEE Cc1cc(OCc2c(F)cccc2Cl)cc2c1C(=O)C(=Cc1cccc(Cl)c1)O2 2321802366 XBSBTHYYSVPNQC-UHFFFAOYSA-N 429.274 6.636 30 10 IKEE Cc1cc(OCc2nnc(S)n2N=Cc2ccc(OC(C)C)cc2)cc(C)c1Cl 2322234459 WZBXKSFAODTKFI-UHFFFAOYSA-N 430.961 5.085 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 2322474753 KYPMDEORBZZOEH-UHFFFAOYSA-N 438.823 5.632 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)OCC(C)C)cc1C 2322991932 KJMFWLSDKBBHNX-UHFFFAOYSA-N 430.928 5.440 30 10 IKEE Cc1cccc(NC(=O)COc2cccc(C=CC(=O)c3ccc(-c4ccccc4)cc3)c2)c1 2323044326 KSOHXMGSCBVTOW-UHFFFAOYSA-N 447.534 6.576 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1OCc1ccccc1F 2323081429 NOGMNYNBMXLJAY-UHFFFAOYSA-N 441.296 6.072 30 10 IKEE COc1ccc(C=C2Oc3cc(OC(=O)CCCOc4ccccc4C)ccc3C2=O)cc1 2323169141 HRGLXJQFBOVHCY-UHFFFAOYSA-N 444.483 5.384 30 10 IKEE Cc1cc(OC(=O)c2cccc3ccccc23)cc2c1C(=O)C(=Cc1ccc(N(C)C)cc1)O2 2323481736 GXYWBWPWCLWJJS-UHFFFAOYSA-N 449.506 6.050 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc(OCC(C)C)cc4)c3C)C2=O)o1 2323641989 UHNOHSIMKGVBHH-UHFFFAOYSA-N 432.472 5.767 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2cc(OC)c(OCCc3ccccc3)c(OC)c2)cc1 2323921653 WZBBEDYPUPBKDC-UHFFFAOYSA-N 446.543 6.010 30 10 IKEE Cc1cc(O)c(CN2CCCCC2)c2c1C(=O)C(=Cc1cccc(Br)c1)O2 2323985158 SPQKMHVNHXOYMN-UHFFFAOYSA-N 428.326 5.065 30 10 IKEE CCCOc1c(Br)cc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1OCC 2324048045 MYVWEJHGZFJZIQ-UHFFFAOYSA-N 447.325 5.304 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2cccc3ccccc23)cc1Cl 2324129549 AWGGOKLBRLXRRJ-UHFFFAOYSA-N 449.978 6.417 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(OC)c1OCc1ccccc1C 2324156544 VSUXZNVPIORYHZ-UHFFFAOYSA-N 430.544 6.611 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=CC=Cc2ccccc2)C3=O)cc1 2324380837 YSNOEQGRDIIMPQ-FQEVSTJZSA-N 439.511 5.882 30 10 IKEE COc1cccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4C)cc(C)c3C2=O)c1 2324407245 PBHVHQCAPCRBCD-SFHVURJKSA-N 443.499 5.334 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2ccc(OCc3cccc(Cl)c3)cc2)cc1Cl 2324422521 OMLNYQNNDJHPCB-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2cccc(C)c2)C3=O)cc1 2324521559 QBIIVCRPNBDDPL-GOSISDBHSA-N 443.499 5.416 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)ccc1OCc1cccc(C)c1 2324693475 WUTDZHXFNHFNNM-UHFFFAOYSA-N 438.523 6.641 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccccc1C(=O)O 2325541044 NAPXGTHTTWWWJY-UHFFFAOYSA-N 446.935 5.286 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cc(Cl)c(O)c(OC)c1 2325604803 NHVVOQAXJZDHFI-UHFFFAOYSA-N 437.352 5.036 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(OC[C@H]4CCCO4)c3C)C2=O)c2cc(OC)ccc21 2325686719 YUNHOOKWWLBPSD-LJQANCHMSA-N 433.504 5.152 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)C34CC5CC(CC(C5)C3)C4)c2)cc1OC 2325703790 MYSCPENRYGSDHB-UHFFFAOYSA-N 446.543 5.722 30 10 IKEE CCCCCCC(=O)Oc1cc(C=CC(=O)c2ccc(Br)cc2)ccc1OC 2325715917 GRHFNVINGVGQPV-UHFFFAOYSA-N 445.353 6.230 30 10 IKEE CCc1cccc(CC)c1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccncc1)C2=O 2325718829 AHFSUEKUGJJCDU-UHFFFAOYSA-N 442.515 5.149 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccccc4C(C)C)c3C)C2=O)cc1 2325726540 IGECRFFNMBRPOT-UHFFFAOYSA-N 441.527 6.061 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4cccc(C)c4C)ccc3C2=O)cc1 2325737934 PMRQYMDZNSAUKB-UHFFFAOYSA-N 427.500 5.500 30 10 IKEE COc1ccccc1CC(=O)Oc1cccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)c1 2325746314 OIZRCWSJIZEDRI-UHFFFAOYSA-N 428.528 6.037 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(F)c(F)c3)c2)cc1F 2325748073 GKKVSQLGVBMVGE-UHFFFAOYSA-N 442.389 5.236 30 10 IKEE COc1ccc(CC(=O)Oc2cc(C=CC(=O)c3c(C)cc(C)cc3C)ccc2OC)cc1 2325764173 ZXXFYHSOSNKTIW-UHFFFAOYSA-N 444.527 5.673 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)c3ccc(Br)cc3)c2)c(C)c1 2325764842 MKDMIPQMJCZQBM-UHFFFAOYSA-N 449.344 6.490 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccccc2Cl)c(C)c1 2326461293 ZLIBPPMNNZWKEX-UHFFFAOYSA-N 447.007 6.314 30 10 IKEE C(=Nn1c(Cc2cccc3ccccc23)nnc1SCCc1ccccc1)c1ccc[nH]1 2327754329 PNVGQSBFYMGRCU-UHFFFAOYSA-N 437.572 5.567 30 10 IKEE Fc1ccccc1CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1cccs1 2329102175 AARHQJLLCFYHOD-UHFFFAOYSA-N 442.972 5.897 30 10 IKEE CCCSc1nnc(COc2ccccc2)n1N=Cc1c(OC)ccc2ccccc12 2329920704 BDTSBFPIJPYLLD-UHFFFAOYSA-N 432.549 5.403 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3cccs3)n2N=Cc2ccc(Cl)cc2)c1 2330583938 IKZNVICFSARDOG-UHFFFAOYSA-N 439.009 6.451 30 10 IKEE Clc1cccc(Cl)c1C=Nn1c(SCc2ccccc2)nnc1-c1ccccc1 2330671037 OIEGVXZFUMQNLS-UHFFFAOYSA-N 439.371 6.426 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OC(=O)C(F)(F)F 2330805579 VALPRRYIHYGBFI-UHFFFAOYSA-N 449.208 5.374 30 10 IKEE Cc1ccc(CSc2nnc([C@H]3CCCO3)n2N=Cc2ccc(Cl)c(Cl)c2)cc1 2330888744 UFDPLJBKEXHPOR-LJQANCHMSA-N 447.391 5.919 30 10 IKEE Clc1ccc(CSc2nnc([C@H]3CCCO3)n2N=Cc2ccccn2)cc1Cl 2331001083 VSCZRRFLABKLAM-QGZVFWFLSA-N 434.352 5.006 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2cccc(Br)c2)cc1OC 2331015959 PEYMZAIJCHGDIP-UHFFFAOYSA-N 445.353 6.230 30 10 IKEE Cn1cc(C=Nn2c(SCc3ccc(F)cc3)nnc2C2CCCC2)c2ccccc21 2331030924 NMKDHLVKYUCSST-UHFFFAOYSA-N 433.556 5.741 30 10 IKEE Fc1cccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CCCC2)c1 2331092979 LJTZSWOOWRWKQD-UHFFFAOYSA-N 449.382 6.556 30 10 IKEE Cc1ccc(CSc2nnc(C(F)(F)F)n2N=Cc2ccc(C(C)(C)C)cc2)cc1 2331108657 MCARYWGTTLKCCJ-UHFFFAOYSA-N 432.515 6.077 30 10 IKEE CCc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2-c2ccco2)cc1 2331216466 ZCKAGBDDLPXYRQ-UHFFFAOYSA-N 438.556 6.428 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)c1ccccc1 2331324326 JVYFMCWIRCJIFB-UHFFFAOYSA-N 434.919 6.471 30 10 IKEE CCCCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OC 2331489297 QEEICNWYHGMWNC-UHFFFAOYSA-N 442.983 7.244 30 10 IKEE Cc1cc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2)ccc1Cl 2331490112 SPPFLOSYRQIZGY-UHFFFAOYSA-N 448.946 6.652 30 10 IKEE CCc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C2CCC2)cc1 2331547711 KXKRZWBFMQSCAS-UHFFFAOYSA-N 428.964 6.075 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3Cl)cc2)c1C 2331643609 HSNRKHGDHOTEGR-UHFFFAOYSA-N 432.947 6.618 30 10 IKEE Cc1cc(C)cc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2ccc(Cl)cc2)c1 2331685649 YEWLUBGVPPGMRC-UHFFFAOYSA-N 441.988 5.285 30 10 IKEE COC(=O)c1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C(C)C)cc1 2331705887 YLTVMASHPSMPNB-UHFFFAOYSA-N 444.560 5.516 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccccc3Br)cc2)c(C)c1 2331762812 QZZASFDBGFNXLT-UHFFFAOYSA-N 449.344 6.490 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1OC 2331864435 YQCSRUUCDXXKSZ-UHFFFAOYSA-N 435.347 6.774 30 10 IKEE Cc1c(NC(=O)OC(C)(C)C)cccc1C(=O)N1CC[C@](C)(B2OC(C)(C)C(C)(C)O2)C1 2342471348 RDZIOFAWQSFZOM-DEOSSOPVSA-N 444.381 5.040 30 10 IKEE CCCCCCC[C@@H](OCCCN)c1sc(Cl)cc1I 2366654928 OXBNCGYTELMMIS-CYBMUJFWSA-N 429.795 5.773 30 10 IKEE COc1cc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OC(C)=O 9805295 WWNARZZRAGABCP-SANMLTNESA-N 442.515 5.478 30 10 IKEE N/C(=N/OC(=O)c1ccc(OC(F)(F)F)cc1)C1(c2ccc(Cl)cc2Cl)CC1 12369080 YURRZAHGNOBPEU-UHFFFAOYSA-N 433.213 5.053 30 10 IKEE Cc1ccc(/N=C2\NC(=O)[C@@H](CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)S2)cc1 15231741 QSEKLFOSVHHGNQ-OAHLLOKOSA-N 442.755 5.203 30 10 IKEE CC(C)(C)c1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(Cl)c(Cl)c2)C3)cc1 21255934 OLDGRYZNGBOROJ-AEFFLSMTSA-N 442.386 6.295 30 10 IKEE COc1ccccc1-c1nnc(SCc2cccc(C#N)c2)n1-c1ccc(Cl)cc1 24967564 RJVGGLFMULLZCY-UHFFFAOYSA-N 432.936 5.760 30 10 IKEE Cc1nn(C)c(C)c1CN/C(=N/C(=O)c1cccc(Cl)c1)Nc1cccc(Cl)c1C 32972344 SHBRHVFUERZYCT-UHFFFAOYSA-N 444.366 5.050 30 10 IKEE COc1cccc(/C(C)=C2\S/C(=N/c3nnc(C)s3)N(C3CCCCC3)C2=O)c1 39866578 RBYOCBRVFSWSRA-VJGKAAADSA-N 428.583 5.182 30 10 IKEE CCOc1ccc(/N=N/c2c(C)c(C#N)c(=O)n([C@@H](C)c3ccccc3)c2O)c([N+](=O)[O-])c1 39871227 FBFKKSCSONZPPA-RZJDRKADSA-N 447.451 5.066 30 10 IKEE C=CCc1ccccc1OCc1nc2ccccc2n1CCCOc1ccc(Cl)cc1 39907111 JXAYGQOSZDKKEP-UHFFFAOYSA-N 432.951 6.466 30 10 IKEE Oc1c(Br)cc(Br)cc1/C=N/Nc1cc(Cl)ccc1Cl 59153223 PGVDLZBQXLUALS-NGYBGAFCSA-N 438.934 5.670 30 10 IKEE Cc1cc(C)cc(C/N=C2/NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)cc3)S2)c1 59432601 ZXVDCOSNSZQGPO-ZVHZXABRSA-N 446.547 5.782 30 10 IKEE N#Cc1cc(Cl)cc(Oc2c(Cl)ccc3c2cnn3Cc2n[nH]c3ncccc23)c1 73240561 FZBAOOQVQXATRL-UHFFFAOYSA-N 435.274 5.327 30 10 IKEE investigational CCc1cccc(CC)c1N(C(C)=O)c1nc(/C=C\C(=O)c2cc3ccccc3o2)cs1 96924498 WUSFJMLRSDORPT-YPKPFQOOSA-N 444.556 6.595 30 10 IKEE CCCCCCCCCCCCCC(=O)Nc1cccc(C(=O)NC2CCCCC2)c1 100442345 YNLZSVCXHYHUKD-UHFFFAOYSA-N 428.661 7.389 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)S/C1=N/c1ccncc1Cl 101127294 ZZBRGQONLFWMFW-TVIFTAOPSA-N 444.343 6.272 30 10 IKEE O=C(C[C@@H]1S/C(=N/c2ccccc2)N(CCc2ccc(F)cc2)C1=O)Nc1ccccc1 101583854 XJSYGBNEDOIGCF-FPCFPJRVSA-N 447.535 5.029 30 10 IKEE CCCCCCCCCCn1c([C@H](C)NC(=O)CCc2ccccc2)nc2ccccc21 102124994 DWNXEBNYBRENHE-QHCPKHFHSA-N 433.640 6.987 30 10 IKEE C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)S/C1=N/c1ccc(C)cc1 103891155 CAUZIJFGNYRKKO-BLWNTKICSA-N 447.482 5.160 30 10 IKEE CSc1nccn1-c1cccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1 107867466 OFVGWGVSWHXPPE-UHFFFAOYSA-N 440.528 5.297 30 10 IKEE CCCCCCCOc1ccc(NC(=S)NC(=O)/C=C\c2ccccc2OC)cc1 111239783 QHCRFJQZSWFKRV-ATVHPVEESA-N 426.582 5.571 30 10 IKEE CCCCCCCCCOc1ccc(/C=N\Nc2nc3ccccc3s2)c(Cl)c1 169890338 YUODGFZTAZCKKD-UQQQWYQISA-N 430.017 7.525 30 10 IKEE COc1cc(/C=N\n2c(S)nnc2-c2ccccc2)ccc1OCc1cc(C)ccc1C 169911952 OPWNOLGOEGZBDW-YSMPRRRNSA-N 444.560 5.320 30 10 IKEE CC1=C(C(=O)c2ccccc2)[C@H](c2cccc(OCc3ccccc3Cl)c2)NC(=S)N1 169938415 LJEUOPCFJNINHS-QHCPKHFHSA-N 448.975 5.595 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cccc(OCC)c3)=C(O)C(=O)N2C2CCCCC2)cc1 170031597 UKJOVHPDXIXCEL-DEOSSOPVSA-N 449.547 5.395 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2c[nH]c3ccccc23)cc1 170078401 XDJNREOROQMMKR-HSZRJFAPSA-N 430.504 5.088 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2cccc(O)c2)cc1C 170080695 ZGHAAZOOVXZSRF-HSZRJFAPSA-N 431.463 5.239 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@H]2c2ccco2)cc1C 170092648 RGWOKSGHOIKDMU-FQEVSTJZSA-N 441.842 5.172 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2sccc2C)c1 170105109 ROEJYHXKYGDVEC-FQEVSTJZSA-N 437.492 5.296 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2sccc2C)c1 170105491 DLYFQNWSNKMDTO-IBGZPJMESA-N 441.455 5.126 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(O)cc2)cc1 170131705 JYMYEZARIGHGLC-HSZRJFAPSA-N 447.462 5.103 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc(OCC(C)C)c3)=C(O)C(=O)N2Cc2ccco2)c1 170143810 PBSAKCXXWCIQMR-DEOSSOPVSA-N 445.515 5.401 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccs2)c1 170155689 BUHKXZWPOQTCMZ-NRFANRHFSA-N 437.492 5.457 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C(C)(C)C)ccc3C)[C@H]2c2ccccn2)cc1 170174427 AZDCHZDQBANBJA-XMMPIXPASA-N 440.543 5.779 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@@H]1c1ccc(OCC)cc1 170213854 GZAITANZXRYUEI-NRFANRHFSA-N 443.927 5.126 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccccc2)c1 170229403 NAACWBYLVCDATK-QHCPKHFHSA-N 449.453 5.537 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2)ccc1OC(C)C 170230510 CICVWLMVHGMMNS-HSZRJFAPSA-N 431.488 5.154 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccccc1)c1cc2ccccc2o1 170234256 NRKKOROAEUQTIN-HSZRJFAPSA-N 427.431 5.350 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2cccc(O)c2)cc1 170259535 QNZUPEBFFZWZHF-RUZDIDTESA-N 435.479 5.637 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccc(O)c1 170259841 JZJIMEFJLDDYLF-HSZRJFAPSA-N 425.440 5.230 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C)o2)cc1 170307049 VQVAMUIAOWDGQF-QHCPKHFHSA-N 449.503 5.529 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@@H]2c2ccc(C)o2)cc1 170309345 WOQOUONYZARADG-JOCHJYFZSA-N 425.525 5.535 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2sccc2C)c(OC)c1 170315454 LBGZSQGINDOAOK-NRFANRHFSA-N 449.528 5.165 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2sccc2C)cc1 170317555 CUZFDISYBYTXJD-NRFANRHFSA-N 439.577 5.756 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccncc2)=C(O)C(=O)N1c1ccc(C(C)(C)C)cc1 170333315 ZCRGTIYOKDOECT-QHCPKHFHSA-N 442.515 5.171 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccccc2)cc1OCC 170371706 AJPRPUXILNKQOV-QFIPXVFZSA-N 449.528 5.328 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(Cl)cc(Cl)c2)[C@@H]1c1cccc(O)c1)c1ccco1 170386421 ZXUMOPKEIGLZHF-GOSISDBHSA-N 430.243 5.075 30 10 IKEE COc1cccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(OC(F)(F)F)cc2)c1 170429607 PXDDPQOAFVOKLA-FQEVSTJZSA-N 449.425 5.109 30 10 IKEE COc1cc(/C=C2\SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc(OC)c1OC 254749828 VXKPTNQQVWLWBT-JUQJSGDGSA-N 446.528 5.521 30 10 IKEE C=CCN/C(S)=N/N=Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 254765108 TWADNKXCZHJPEX-VWLOTQADSA-N 439.588 5.438 30 10 IKEE CC1(C)OB(c2cc(F)cc(COc3ccc(OCc4ccccc4)cc3)c2)OC1(C)C 303245024 KNDSJPZUZXVRMF-UHFFFAOYSA-N 434.316 5.283 30 10 IKEE CCCCCCCCCCC(=O)c1ccc(Br)cc1NC(=O)OC(C)(C)C 405733274 SRWOFKHROPROPQ-UHFFFAOYSA-N 440.422 7.510 30 10 IKEE CCOc1cc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)ccc1O 526516506 NZVQAECYSLBLJD-HSZRJFAPSA-N 446.890 5.373 30 10 IKEE CCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1c(F)cccc1Cl 526805105 FJIJBTSHJQCABL-MXAYSNPKSA-N 430.980 6.105 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccc(OC(C)=O)cc1 526821294 LCVOXGISTRDHLG-MYYYXRDXSA-N 430.533 5.094 30 10 IKEE COc1cc(C)c(C)cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)c1cccc(Cl)c1 586218039 NAHGHWCYOJMSEI-UHFFFAOYSA-N 440.952 5.233 30 10 IKEE C[C@@H]1CC[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)CN1C(=O)OC(C)(C)C 698898630 IXDGDDSYTJPEKI-ZHRRBRCNSA-N 435.590 5.167 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1ccc(C2CC2)cc1 710706270 GIDGMPQJEUHRSU-HXUWFJFHSA-N 427.342 6.333 30 10 IKEE CSCc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)cc1 724750044 FIQAKTMFBBPFHQ-LJQANCHMSA-N 447.398 6.318 30 10 IKEE O=C(NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccc(C(F)(F)F)cc1 821214645 JZRKKNSMMQTEDE-UHFFFAOYSA-N 444.253 5.705 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2ccc(C)cc2Br)c1 829353887 KFTBZVPIOTYSHL-LJQANCHMSA-N 431.330 5.773 30 10 IKEE Cc1ccc(N=C2C(=O)N(CN(C3CCCCC3)C3CCCCC3)c3ccccc32)cc1C 1084088357 UNJLJPOVGRAUOF-UHFFFAOYSA-N 443.635 6.696 30 10 IKEE CCOc1ccccc1NN=C1C(=O)N(c2nc(-c3ccc(Cl)cc3)cs2)N=C1C 1084181705 QSADENBEIWAYEC-UHFFFAOYSA-N 439.928 5.053 30 10 IKEE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=S)Nc2ccccc2)CCC3)cc1C 1772749693 FCJHTBNGOXPENZ-UHFFFAOYSA-N 446.576 5.484 30 10 IKEE Cc1ccc(-c2nn(-c3cccc(C)c3)cc2/C=N\NC(=S)Nc2ccc(F)cc2)cc1 1857809763 YDHLRYZYWXDFHL-DICXZTSXSA-N 443.551 5.616 30 10 IKEE Cc1ccc(-n2cc(/C=N\NC(=S)Nc3ccccc3)c(-c3ccc(C)c(C)c3)n2)cc1 1857811791 DHDOIRCFBSMZAD-YUMHPJSZSA-N 439.588 5.785 30 10 IKEE N#Cc1ccccc1NC(=O)Oc1ccc(CNC(=O)c2cccc(C(F)(F)F)c2)cc1 1858910809 IZBFNGKAXQFIPK-UHFFFAOYSA-N 439.393 5.118 30 10 IKEE C=CCN(CC=C)C(=O)c1ccnc(NC(=O)CCCOc2ccc(Cl)cc2Cl)c1 1860537497 ZHRWINKVJLSWPE-UHFFFAOYSA-N 448.350 5.000 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2ccccc2)cc1C 1862397311 ITJTWBNPIDBYSD-XMMPIXPASA-N 427.500 5.091 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C(C)C)cc1 1862422913 QAUSCAGCCKKBMT-QFIPXVFZSA-N 443.490 5.521 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862450445 HLOXSAPUGNWKDB-SFHVURJKSA-N 438.738 5.881 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(N(CC)CC)cc1 1862451821 NSCMDCREYPMURZ-QFIPXVFZSA-N 440.971 5.565 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(C(C)(C)C)cc1 1862494099 FPRPYJYKUJQFFB-XMMPIXPASA-N 449.591 5.606 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2ccccc2F)cc1 1862555559 FWTZTSPLBZRRSF-VOIUYBSRSA-N 444.506 5.310 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc2cc[nH]c2c1 1862616101 QPDKWSGQOQJLAG-WAIKUNEKSA-N 430.548 5.842 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1cc(Cl)cc(Cl)c1 1862623832 QJOTUQUXJBLXIT-LJQANCHMSA-N 432.347 5.889 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862690170 JGAJAJBMQCUNIR-IBGZPJMESA-N 433.426 5.092 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862737447 XKTOTPGGBHURLK-QHCPKHFHSA-N 446.503 5.372 30 10 IKEE Cc1ccc(C2=C(Nc3cc(Cl)cc(Cl)c3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862903220 OXERLJOWDMLIHH-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE COc1ccccc1C1=C(Nc2ccc(C#N)cc2)C(=O)N(c2cccc3ccccc23)C1=O 1863056569 LOIRGPKMJGEOJR-UHFFFAOYSA-N 445.478 5.117 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cccc(OC)c2)=C(c2ccccc2OC)C1=O 1863422423 YEHZXXPDIMCKFZ-UHFFFAOYSA-N 436.552 5.256 30 10 IKEE C[C@H](c1cccs1)N1CCN(c2cc(Nc3ccccc3C#N)nc(C(C)(C)C)n2)CC1 1868350580 KVVDLSINCZKKOU-GOSISDBHSA-N 446.624 5.334 30 10 IKEE CC(C)N1CCN(c2cc(Nc3cccc(C#N)c3)nc(-c3ccccc3)n2)c2ccccc21 1868355151 ZQTWSWCXBDRQEX-UHFFFAOYSA-N 446.558 6.125 30 10 IKEE C=CCN(CC=C)c1cc(N2CCN(C)[C@H](c3ccccc3)C2)nc(-c2ccccc2C)n1 1869151461 CRQQIJKWGFGPRI-VWLOTQADSA-N 439.607 5.124 30 10 IKEE C=CCOc1cn(CCc2ccccc2)c(CNc2cccc(Br)c2)cc1=O 1870810028 HVQZVENAEJHQTL-UHFFFAOYSA-N 439.353 5.030 30 10 IKEE C=CCOc1cn(CCCCCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870816035 ODOIXHGOMSWHCI-UHFFFAOYSA-N 447.579 5.322 30 10 IKEE CCCCCCCOc1cn(CCCCC)c(CNc2ccc(C(C)C)cc2)cc1=O 1870837594 OBRDQYZURLHDMX-UHFFFAOYSA-N 426.645 7.123 30 10 IKEE C#CCOc1cn(Cc2ccccc2Cl)c(CNc2cc(Cl)cc(Cl)c2)cc1=O 1871005502 IXZZUIBYSFMDCU-UHFFFAOYSA-N 447.749 5.481 30 10 IKEE C#CCOc1cn(Cc2ccccc2)c(CNc2ccc(Cc3ccccc3)cc2)cc1=O 1871006468 HZQJFTZLPUYOKZ-UHFFFAOYSA-N 434.539 5.112 30 10 IKEE CCN(CC)CCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(C(C)(C)C)cc1)C3=O 1871349728 YZPZCNMVPDIHJF-JLPGSUDCSA-N 448.607 5.402 30 10 IKEE CCN(CC)CCCCN1COc2c(cc3c(c2C)O/C(=C\c2ccc(F)cc2)C3=O)C1 1871355243 ZNEOLHZPSFJHME-UCQKPKSFSA-N 438.543 5.024 30 10 IKEE Cc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)cc1 1871366595 HOJVDVJVMHJDJU-QHEGJKBSSA-N 438.523 6.528 30 10 IKEE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1 1871377149 XJYDZTCRROTCTK-SKOGZAMYSA-N 440.495 6.054 30 10 IKEE Cc1c(OC(=O)c2cccc(OCC(C)C)c2)ccc2c1O/C(=C\c1ccccc1)C2=O 1871381412 STKAJKCJYHVQHZ-OYKKKHCWSA-N 428.484 5.865 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)cc2)C3=O)c1 1871388168 XUNYDQZCMOSACM-IWIPYMOSSA-N 428.484 5.928 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4Cl)ccc3C2=O)cc1 1871405830 QMBWVVAPCQVLSN-SGMWPGOQSA-N 447.918 5.925 30 10 IKEE Cc1c(OCCOc2ccccc2F)ccc2c1O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 1871416922 CSDNWRHNZPUMQG-UQQQWYQISA-N 446.518 6.506 30 10 IKEE Cc1c(OCc2cccc3ccccc23)ccc2c1O/C(=C\c1cn(C)c3ccccc13)C2=O 1871433869 KBTSOMRFWDVRBN-NTFVMDSBSA-N 445.518 6.835 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccc(Cl)cc4)c3C)C2=O)cc1 1871441027 UENOJHPVYXNWHR-XKZIYDEJSA-N 449.890 5.291 30 10 IKEE Cc1cc(C)c(NC(=O)COc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)c(C)c1 1871458396 IJAGMQZRYFKUQB-FMCGGJTJSA-N 431.463 5.385 30 10 IKEE C=CCN(CC=C)c1nc(=NCCC2=CCCCC2)nc(Nc2ccc(OC(C)C)cc2)[nH]1 1871722927 BGRSDBJPLGYQJT-UHFFFAOYSA-N 448.615 5.305 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 1871755361 UHFQKZBHMKMIMT-QFIPXVFZSA-N 449.016 5.269 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 1871798777 CRNJJPHJBNQTMY-QFIPXVFZSA-N 449.016 5.331 30 10 IKEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 1871875730 FPTFTUDHWOKUIG-NRFANRHFSA-N 434.989 5.023 30 10 IKEE C=CCN([C@H](CC)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872225218 BTUIVHLFQPYMHS-HSZRJFAPSA-N 442.625 5.195 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cccc(Cl)c1)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872246771 LSRATQYJSBMLDJ-GCJKJVERSA-N 449.016 5.269 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OC(=O)OCC)cc3)n2)cc1 1872762259 HMPGGBSCHNOKBW-OAQYLSRUSA-N 448.544 6.178 30 10 IKEE CC(C)c1ccccc1O[C@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872763765 UOQPNGBTWRVLGS-DNVCBOLYSA-N 435.505 5.485 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4ccccc4oc3=O)n2)cc1 1872765135 IHUKXGONZHLJEY-FQEVSTJZSA-N 428.513 5.749 30 10 IKEE N#C[C@@H](C(=O)CNC(=O)c1ccc(Cl)cc1)c1nc(-c2cccc3ccccc23)cs1 1872775681 XLJNQLOYTZYLJL-FQEVSTJZSA-N 445.931 5.223 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C\c3ccc4c(c3)OCCO4)n2)c(C)c1C 1872778377 KBWHGUGPHYMURQ-BQHGXPCASA-N 446.528 5.096 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(C(C)(C)C)cc3)n2)c(OC)c1 1872783794 IBJMXQFFKFXQSD-CDDKBXLESA-N 446.572 6.014 30 10 IKEE COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1OC 1872787721 QCWXBAZIXNEQRI-LJQANCHMSA-N 444.512 5.479 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@H](C#N)C(=O)CCCOc2ccccc2C)n1 1872788672 OADUQQRJWCXYQJ-GOSISDBHSA-N 440.952 5.816 30 10 IKEE C=CCc1ccccc1OCc1ccc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 1872859452 RAJMRFBIFCUXMO-IQLHJDJVSA-N 429.604 6.329 30 10 IKEE CCCOc1ccc(/C=N/n2c(C)nnc2SCc2cc(C)cc(C)c2)cc1OCC 1873501547 BMUATTCSFWOKIH-MFKUBSTISA-N 438.597 5.565 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1ccc(Cl)cc1)N1Cc2ccccc2C1=O 1873885949 AMIBNNARLWPDNM-QHCPKHFHSA-N 426.988 5.384 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccc(F)cc3Cl)c(=O)oc2c1C 1873909468 NVKFMEKZMYUCGJ-UHFFFAOYSA-N 429.875 5.338 30 10 IKEE C=CCSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1sccc1C 1874209928 XXUYKBCUDWYPTD-UDWIEESQSA-N 433.400 5.162 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1cccc(C)c1 1874216526 VLCGDBAZDZEPCA-MFKUBSTISA-N 441.000 5.802 30 10 IKEE C=CCSc1nnc(CCc2ccccc2OC)n1/N=C/c1ccc(OCCC)cc1 1874313643 GJOXDXPWNLDXRA-XIEYBQDHSA-N 436.581 5.021 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1ccc(C(C)C)cc1 1874320383 OMDCIVIIRGYRFO-VULFUBBASA-N 434.609 6.148 30 10 IKEE CCCSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874331425 MSZQNTGBNFKMEJ-JFLMPSFJSA-N 446.542 6.083 30 10 IKEE CCCSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1ccc(N(CC)CC)cc1 1874359620 QBBHAYRYFMVPKT-NLRVBDNBSA-N 435.641 5.716 30 10 IKEE C=C(C)CSc1nnc(COc2ccccc2)n1/N=C/c1ccc(Br)cc1 1874384719 DPPYDWOLYUMXCX-WSDLNYQXSA-N 443.370 5.170 30 10 IKEE COc1cccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2cccc(C)c2)c1 1874402109 IUSJXKYNBODKDG-OVVQPSECSA-N 442.588 5.555 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1cccc([N+](=O)[O-])c1 1874478724 OLSVSOZHQZVZMV-LPYMAVHISA-N 429.933 5.357 30 10 IKEE CC(C)Cc1nnc(SCc2ccccc2F)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874489709 GOZITDITKFFCBB-FOKLQQMPSA-N 447.923 5.352 30 10 IKEE C=C(C)CSc1nnc(CC(C)C)n1/N=C/c1ccc(OCCCCC)c(OC)c1 1874489930 RUNUCFBNXNWCRO-BUVRLJJBSA-N 430.618 5.605 30 10 IKEE CCc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2cccc3ccccc23)cc1 1874491026 WGCCOYQMLBPZJR-WPWMEQJKSA-N 428.605 6.367 30 10 IKEE COCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1sccc1C 1874506037 KXYBCHKAZIWGTE-DNTJNYDQSA-N 427.382 5.276 30 10 IKEE CC(C)Oc1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2)nnc1C1CC1 1874520207 HIBJWTPPKNVWLH-ZMOGYAJESA-N 426.973 5.771 30 10 IKEE CCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1/N=C/c1cccc2ccccc12 1874521860 PVHYPGKZIIABLO-CVKSISIWSA-N 443.576 5.224 30 10 IKEE Cc1cc(C(=O)/C=C/c2cc(Br)ccc2OCc2ccc(F)cc2)ccc1F 1874580634 YDCABOJJLIRXNF-BJMVGYQFSA-N 443.287 6.511 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OCC(=O)OCC(C)C 1874601818 FJTJBXCUYPICLA-OQLLNIDSSA-N 444.527 5.836 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Cl)c1OCc1cc(C)ccc1C 1874608970 QQZVCCVLXIDCLK-ZHACJKMWSA-N 441.354 7.094 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1 1874610281 KMWRNRAXBKXRKC-WLRTZDKTSA-N 437.879 6.122 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)c1OCC(=O)N(CC)CC 1874618385 XVLWBFLBUJIMGG-VAWYXSNFSA-N 443.971 5.499 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3cc(C)ccc3C)ccc2OC)cc1 1874703310 JMWGPDZIUHZQMZ-RIYZIHGNSA-N 430.500 5.826 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2cccc(OC(=O)CSc3ccccc3)c2)c1C 1874710561 FKAOCNDWKGHWBX-BUHFOSPRSA-N 430.569 6.514 30 10 IKEE COc1ccccc1C(=O)Oc1cccc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)c1 1874710917 MROCHQGSKQNWCC-BUHFOSPRSA-N 444.527 6.251 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](C(C)(C)C)CSc2nnc(Cc3ccc(C)cc3)n21 1874973882 FBDFZCRRMWGIFW-OAQYLSRUSA-N 442.673 5.913 30 10 IKEE O=C(Cc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1[N+](=O)[O-] 1875095555 VVQRSEBMRLOGNV-GXDHUFHOSA-N 437.451 5.792 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)cc2)c1 1875102948 SYMJNQKVSGPMFR-ZNRZVBFGSA-N 432.903 5.954 30 10 IKEE CCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1OCC 1875105351 QAZWYDMLYRETHJ-UKTHLTGXSA-N 449.374 7.164 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OC(=O)C1CC1 1875105938 SUFJJAUBOXVHJU-BJMVGYQFSA-N 431.315 5.942 30 10 IKEE CC(C)(C)CC(=O)Oc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1Br 1875121316 KCVNNRNZGOLOGT-VQHVLOKHSA-N 435.745 6.340 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)c1cccs1 1875123345 HUVBPIUMORDZBP-BQYQJAHWSA-N 433.312 6.179 30 10 IKEE CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc(Cl)c3)cc2[N+](=O)[O-])cc1 1875124474 NBMTXBRRZVJSDY-XYOKQWHBSA-N 435.863 5.926 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3[N+](=O)[O-])cc2)c(C)c1C 1875167694 LEGSOYQABYKOIM-GXDHUFHOSA-N 445.471 5.264 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)c3ccccc3)c(Cl)c2)c1C 1875168756 SQLWVTDEORUXRK-KONDSOJQSA-N 446.974 7.179 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)CCc1ccccc1 1875169350 IUBQBFAYKANWNB-SDNWHVSQSA-N 442.555 6.363 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])c([N+](=O)[O-])c2)cc1C 1875174796 JAIKXNQKGTVHHT-DHZHZOJOSA-N 446.415 5.235 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)Cc3cc(Cl)ccc3Cl)cc21 1890582955 LXSUCFMSXPGWHA-UHFFFAOYSA-N 433.335 5.112 30 10 IKEE CC1(C)OB(CCCOCc2c(Br)cccc2Br)OC1(C)C 1901792630 XXHWEIKLOOEFLA-UHFFFAOYSA-N 433.977 5.211 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CC[C@@H](CCNC(=O)OC(C)(C)C)C(C)(C)C)NC 1922065144 KOPOHAIDFSIYCS-XZOQPEGZSA-N 432.649 5.705 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)c1c(Br)cccc1Br 1937843137 NNGFWVCDROZBIS-HIFRSBDPSA-N 449.183 5.105 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2c(Cl)cccc2Cl)o1 2033813493 CBOIWPVZHRZDDY-SFHVURJKSA-N 448.327 5.735 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(F)c(F)c2)=C(O)C(=O)N1Cc1cccs1 2033814486 UWGHSFCWINZOAQ-FQEVSTJZSA-N 425.456 5.113 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)c(F)c3)=C(O)C(=O)N2Cc2cccs2)cc1 2033814510 UYSINBXMIKONAN-HXUWFJFHSA-N 425.456 5.113 30 10 IKEE Cc1ccc(N2C(=O)C(=CNc3sc4c(c3C#N)CCC4)c3ccccc3C2=O)cc1C 2040441839 NUSQONFVJCOGOE-UHFFFAOYSA-N 439.540 5.365 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](O)c2c(Cl)ccc(Br)c2F)C1 2063046001 FICZOTYCGMRZPG-OAHLLOKOSA-N 434.733 5.136 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(Cl)ccc(Br)c1F 2063094170 GRHZNFNATOXWQI-BBRMVZONSA-N 435.765 5.362 30 10 IKEE C#CCCCC[C@@H](NCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071264836 LIRUZZGPOIZERN-HHHXNRCGSA-N 427.588 6.689 30 10 IKEE CC(C)c1nn([C@@H](c2ccc(C3CC3)cc2)C2CCC2)c(I)c1C#N 2079015895 BUYOSMSIRODYHS-HXUWFJFHSA-N 445.348 5.750 30 10 IKEE CC(C)[C@H](c1ccc(C2CC2)cc1)n1nc(C2CC2)c(/C=N/O)c1I 2079033916 DEZKTKNEJHCHRR-AZHVYHFMSA-N 449.336 5.296 30 10 IKEE CCCc1ccc([C@@H](C2CC2)n2nc(C3CCC3)c(C#N)c2I)cc1 2079857432 AGOKPYWSYMIVBJ-FQEVSTJZSA-N 445.348 5.579 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2082161380 MRBSZOGLNZZZAH-HHJKRLRDSA-N 443.588 5.712 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(F)cc1NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2094848497 CLZHGGDICJVADX-UHFFFAOYSA-N 442.340 5.084 30 10 IKEE N#Cc1cc(Br)ccc1NCc1ccc(I)c(Cl)c1 2143017748 IKSLQGNVMLWVPV-UHFFFAOYSA-N 447.501 5.191 30 10 IKEE COc1cc(Nc2cc(Br)c(C#N)cc2F)ccc1NC(=O)OC(C)(C)C 2162350305 KQDRGMYOIFUKQG-UHFFFAOYSA-N 436.281 5.559 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CCN(c2cc(Br)cc(C#N)c2)c2ccccc21 2174810208 JOYGUCWQGODQOQ-SFHVURJKSA-N 428.330 5.428 30 10 IKEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(F)c(Br)cc1F 2198195568 KNSKWERAHHWIFC-MSOLQXFVSA-N 445.348 5.075 30 10 IKEE CC1(C)CCC(CNc2ccc(C#N)cc2Br)(NC(=O)OC(C)(C)C)CC1 2201480260 KXQHSIFQAZKVNW-UHFFFAOYSA-N 436.394 5.596 30 10 IKEE CC(C)(C)OC(=O)Nc1cc([C@H](N)C#Cc2ccc(Br)cc2)ccc1Cl 2278813340 GOYXEPWTYNWRLJ-QGZVFWFLSA-N 435.749 5.501 30 10 IKEE CCOc1cc(C=C2C=C(c3ccc(C)cc3)OC2=O)ccc1OCc1ccccc1C#N 2294253390 LSVYXRZLQYOFKS-UHFFFAOYSA-N 437.495 5.826 30 10 IKEE CN[C@H](C#Cc1ccc(Br)cc1)c1cc(Cl)ccc1NC(=O)OC(C)(C)C 2296306699 KXKHUKIXNRUCLD-GOSISDBHSA-N 449.776 5.762 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC1=S 2297227439 LYKINMVFZJTLDV-UHFFFAOYSA-N 436.385 5.960 30 10 IKEE O=C1NC(=Nc2ccccc2Cl)SC1=Cc1ccc(-c2cc(Cl)ccc2Cl)o1 2297500622 HLPMRGINIQLOSN-UHFFFAOYSA-N 449.746 6.798 30 10 IKEE CCCN1C(=O)C(=C2C=Cc3ccccc3N2CC)SC1=Nc1ccc([N+](=O)[O-])cc1 2297550871 OJAMXJLLMCHAIR-UHFFFAOYSA-N 434.521 5.333 30 10 IKEE C[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)C[C@@H](C)S1 2317651197 DSHJEGSSWFEHRZ-HBCWATKFSA-N 425.392 5.757 30 10 IKEE Cc1ccc(COc2ccc(C=Nn3cnnc3SCCc3ccccc3)cc2)cc1 2321286903 ZDPYZGKSEAWNTO-UHFFFAOYSA-N 428.561 5.383 30 10 IKEE Cc1ccccc1COc1ccc2c(c1C)OC(=Cc1c(Cl)cccc1Cl)C2=O 2321742466 JWGHIHSTCVMIRT-UHFFFAOYSA-N 425.311 6.805 30 10 IKEE Cc1cc(OCc2ccc([N+](=O)[O-])cc2)cc2c1C(=O)C(=Cc1c(F)cccc1Cl)O2 2321853826 RTMLYZQMGNMYRE-UHFFFAOYSA-N 439.826 5.891 30 10 IKEE COc1cccc(C=C2Oc3c(ccc4c3CN(CCCCc3ccccc3)CO4)C2=O)c1 2322249334 MLOLUSFFRHIJJF-UHFFFAOYSA-N 441.527 5.486 30 10 IKEE O=C(C=Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1cccc([N+](=O)[O-])c1 2322307961 IHIRKSLQRBPLSS-UHFFFAOYSA-N 443.886 6.877 30 10 IKEE CCCCCCCCN1COc2c(cc3c(c2C)OC(=Cc2ccc(CC)cc2)C3=O)C1 2322415667 YWULYUCYBSJNMR-UHFFFAOYSA-N 433.592 6.686 30 10 IKEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1ccccc1Cl)Nc1ccccc1F 2322436943 NTJZXUZNYIRVLC-UHFFFAOYSA-N 444.289 6.046 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1F 2322708558 OYUDEHZSEJQFLR-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(C)cc2)C3=O)cc1OC 2322748701 WDWWDLHJHJFVNC-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE CCc1cc(O)nc(NN=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)n1 2323231766 LJMYYFODJSIZRZ-UHFFFAOYSA-N 447.322 5.085 30 10 IKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1cccc(OCc2ccccc2Cl)c1 2323258991 NKMMJJKYWXRBDE-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1C 2323561421 PLLSZOOSMHYIAB-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE O=C(C=Cc1ccc(OCc2c(F)cccc2Cl)c([N+](=O)[O-])c1)c1ccccc1Cl 2323603752 FPCVTKPJYFAVNY-UHFFFAOYSA-N 446.261 6.516 30 10 IKEE COc1ccc(C=NNc2nc(-c3ccc(C)cc3C)cs2)c(Br)c1OC 2323840531 NVYYLMJSLVFPGC-UHFFFAOYSA-N 446.370 5.653 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c([N+](=O)[O-])c2)c1 2323949567 RYRNJXSOMZBOOE-UHFFFAOYSA-N 432.432 5.595 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)NCc3ccccc3)c(Cl)c2)cc1C 2324441703 KGEBURWEBOCSPX-UHFFFAOYSA-N 433.935 5.548 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2cccs2)C3=O)c1 2324455973 COVBKXWNDTXTGG-QGZVFWFLSA-N 433.529 5.696 30 10 IKEE CCCc1nnc(SCc2ccccc2)n1N=Cc1cc(Br)ccc1OC 2324965363 HZOSAICLQJHCCO-UHFFFAOYSA-N 445.386 5.176 30 10 IKEE COc1ccc(C=C(C(=O)Nc2sc3c(c2C#N)CCCC3)c2ccccc2)cc1OC 2325383055 PMBCFSFRSCJWHX-UHFFFAOYSA-N 444.556 5.695 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(C)c(C)c3)c2)cc1 2325711153 LZOSNJDQHOQRSS-UHFFFAOYSA-N 426.556 6.690 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2)cc1OC(=O)CCCOc1c(C)cccc1C 2325731230 MTGQELFDDQCRAE-UHFFFAOYSA-N 444.527 5.973 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1cccs1 2325909026 OKZPRZBPGOZVBN-UHFFFAOYSA-N 439.393 5.776 30 10 IKEE CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1cc(C)ccc1O 2326121387 AUPAOFUJPIVBBZ-UHFFFAOYSA-N 430.961 5.136 30 10 IKEE C=CCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1cc(C)ccc1O 2326606468 YNCVJOCRLDIHCQ-UHFFFAOYSA-N 428.561 5.391 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(OC(C)C)cc1 2326637498 RFMLGIPDVBVSEQ-UHFFFAOYSA-N 430.577 5.955 30 10 IKEE Cc1ccsc1C=Nn1c(Cc2ccccc2)nnc1SCc1ccc(C#N)cc1 2326688932 RUJFBHULGGKNRE-UHFFFAOYSA-N 429.574 5.285 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](C2CCC(C#N)(N(CC3CC3)C(=O)OC(C)(C)C)CC2)C1 2327973650 BWBIMHMFYYAGIO-ABGUIGEDSA-N 447.620 5.343 30 10 IKEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc(C(C)(C)C)cc1 2328075439 ZKCYRZKEXFXLJU-UHFFFAOYSA-N 439.028 6.175 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(O)cc1 2329478033 RXMNGYNKQUGFEV-UHFFFAOYSA-N 446.551 5.391 30 10 IKEE CC(C)COC(=O)CSc1nnc(CC2CCCCC2)n1N=Cc1ccccc1Cl 2330286620 RRWPFBRMHFYMMK-UHFFFAOYSA-N 449.020 5.228 30 10 IKEE C=C(C)CSc1nnc(C(F)(F)F)n1N=Cc1ccc(OCc2ccccc2C)cc1 2331135898 USQSRYLHDRQLBK-UHFFFAOYSA-N 446.498 5.735 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 2331149663 SCPPFVDCOYNNRS-UHFFFAOYSA-N 425.799 5.503 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCC(=O)Nc3ccccc3)nnc2-c2ccco2)cc1 2331169268 VKCNWQHHBVOJQO-UHFFFAOYSA-N 445.548 5.275 30 10 IKEE Cc1cccc(OCCCC(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2)c1 2331318409 IQWURFGVSDWFEH-UHFFFAOYSA-N 428.528 6.273 30 10 IKEE Cc1cccc(CSc2nnc(C3CCC3)n2N=Cc2ccc(Cl)cc2Cl)c1 2331498464 SPNOQGZWZSQHFR-UHFFFAOYSA-N 431.392 6.335 30 10 IKEE Fc1ccccc1C=Nn1c(SCc2ccc(Cl)cc2Cl)nnc1C1CCC1 2331543760 QHIWQZZGHZBPPO-UHFFFAOYSA-N 435.355 6.166 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3F)cc2)cc1C(C)C 2331571448 LCDFQBACEDHPLW-UHFFFAOYSA-N 446.518 6.310 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1cc(C)ccc1O 2331662019 SCCDYGHJVVIKDB-UHFFFAOYSA-N 435.380 5.726 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)c1cncc(C)c1 2331669763 PLDYTVOFUWBRID-UHFFFAOYSA-N 445.515 5.529 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)c3cncc(C)c3)cc2)c1 2331673890 AOKPDTKICVJACF-UHFFFAOYSA-N 431.488 5.303 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(SCc2ccc(Cl)cc2)nnc1C(C)C 2331706631 CSBXZKFIIKNOTK-UHFFFAOYSA-N 428.989 6.017 30 10 IKEE CCCCCCOc1ccc(-n2nnc(C#N)c2NC(=O)C=Cc2cccc(Cl)c2)cc1 2332187357 LCSHLMKYGSWTDG-UHFFFAOYSA-N 449.942 5.403 30 10 IKEE Cc1cc(COc2cc(Br)ccc2Cl)cc(B2OC(C)(C)C(C)(C)O2)c1 2369698078 YGJLJDLFPGCWFE-UHFFFAOYSA-N 437.570 5.289 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CSCc1sc(Cl)cc1C#CCCO 2372408782 QRYZZMXGNQNPED-ZBFHGGJFSA-N 430.035 5.014 30 10 IKEE O=C1/C(=C/c2ccccc2Br)CCC/C1=C\c1ccccc1Br 20115445 IYUMKWYJTLIPIV-UNZYHPAISA-N 432.155 6.432 30 10 IKEE COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2OC)C3)cc1 21253401 VOFQCSWNAADGRM-DNOBIOAJSA-N 426.516 5.683 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NCc1ccco1)[C@H]2c1ccccc1 21722097 NKIMWHYTPHUKNG-VWLOTQADSA-N 441.531 5.806 30 10 IKEE Cc1ccc(C[C@@H](C#N)Sc2nc3ccccc3c(=O)n2-c2ccc(C)c(F)c2)cc1 25835280 OBEXTEDSLJWPJZ-FQEVSTJZSA-N 429.520 5.369 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccccc2Cl)c1)c1ccc(Br)cc1 34955100 IKCXYLVHBDHHAT-MDWZMJQESA-N 441.708 6.218 30 10 IKEE Cc1ccc(OCC(=O)Nc2sc(=S)c3c(c2C#N)CC[C@H](C)C3)c(C(C)(C)C)c1 41014481 LAQWISHHKRSBRO-AWEZNQCLSA-N 440.634 6.097 30 10 IKEE CCOc1ccc(C(=O)/N=C(\NCc2ccncc2)Nc2ccc([C@@H](C)CC)cc2)cc1 45940397 QPMQWDBMOYDOTH-IBGZPJMESA-N 430.552 5.392 30 10 IKEE C=C1C(NC(=O)COc2cccc(OCCCCCCC)c2)=C(C)N(C)N1c1ccccc1 100973275 MPSNUFNQTLNDKM-UHFFFAOYSA-N 449.595 5.643 30 10 IKEE CCCCCCCCCCCCn1c(CCCNC(=O)C(CC)CC)nc2ccccc21 102145937 OSXPHYMIDLSZAN-UHFFFAOYSA-N 441.704 7.442 30 10 IKEE CC1(C)CC(=O)C([C@H](C2=C(O)CC(C)(C)CC2=O)c2cccc(Cl)c2Cl)C(=O)C1 105664382 QWVWXFCYWOYAOT-GOSISDBHSA-N 437.363 5.853 30 10 IKEE O=C1CCCC2=C1[C@@H](c1c(OCc3ccc(F)cc3)ccc3ccccc13)NC(=S)N2 169938895 SKMQRGQTANIUBS-XMMPIXPASA-N 432.520 5.084 30 10 IKEE CCCCCOc1ccc(/C=N\Nc2nc(-c3c(C)cc(C)cc3C)cs2)cc1OC 169941720 PRQGMDCDYDXDAH-YSMPRRRNSA-N 437.609 6.759 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(N(C)C)cc2)c1 169966884 CCDHTKVZJUUVOI-HSZRJFAPSA-N 446.934 5.497 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccs2)cc1Cl 169986577 KPRAXYRFCCZFCV-OAQYLSRUSA-N 449.915 6.239 30 10 IKEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccccc1 170048351 ANAGTPYMNFEWGP-DEOSSOPVSA-N 439.467 5.220 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccccc2)cc1C 170048781 APCIVSSPRLKYGJ-RUZDIDTESA-N 425.528 6.210 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(O)cc2)cc1 170131361 DJIXASWDNKFDCS-QHCPKHFHSA-N 447.462 5.101 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(O)cc2)cc1C 170135727 SQMYBFIADAATGM-XMMPIXPASA-N 449.547 5.400 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccc(C)c2)cc1 170140974 IIKOQFAVJCMJQH-VWLOTQADSA-N 441.527 5.875 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1cccc(C)c1 170142648 AWZLZLDILFXGAT-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2cccs2)c1 170154003 MHZMGJKVAKRHRT-HSZRJFAPSA-N 441.508 5.693 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)cc1Cl 170159570 CBSDEVBHLFMWBD-FQEVSTJZSA-N 439.920 5.501 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccs2)cc1C(C)C 170166452 PHDZGPAGIYIBFN-QFIPXVFZSA-N 439.577 5.791 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(F)cc1 170240164 VOHFDXNLHMCARM-RUZDIDTESA-N 441.502 5.796 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2F)cc1 170248226 UKBIBQLFTPWJOT-QHCPKHFHSA-N 449.453 5.537 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2ccco2)cc1C 170284403 JVGYIRVPCZTCTN-OAQYLSRUSA-N 437.879 5.341 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccco2)ccc1Br 170286163 XWOOTDKWSSTFID-LJQANCHMSA-N 438.277 5.133 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1ccco1 170290257 GHOIAGYOWRTKSM-NRFANRHFSA-N 433.847 5.771 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccc(C)o2)c(C)c1 170304711 SPSCOZVTIJRYHA-HSZRJFAPSA-N 431.488 5.305 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(C)o1 170310054 KNGTYIHRODDNDW-HSZRJFAPSA-N 439.552 5.700 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1c(C)[nH]c2ccccc12 170311858 JVIQLGJOBURKNV-VWLOTQADSA-N 442.559 5.734 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)c(Cl)c2)[C@@H]1c1sccc1C 170318987 TUYGIVZFZPPNKX-OAHLLOKOSA-N 440.348 5.360 30 10 IKEE CC(C)Oc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C(C)C)cc2)cc1 170473170 FKZSLYAYIAILTG-XMMPIXPASA-N 445.515 5.973 30 10 IKEE Cc1cc2sc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3ccccn3)nc2cc1Cl 170480302 YYDYRJDHHONXKW-IBGZPJMESA-N 441.940 5.168 30 10 IKEE CC1(C)OB(c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)nc2)OC1(C)C 203606038 JBDMMWHAKKDROL-UHFFFAOYSA-N 448.375 6.518 30 10 IKEE CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)SC1=Nc1ccc(C)c(C)c1 252619874 LTLKXHYORSIHQV-NARSBJQYSA-N 442.584 6.506 30 10 IKEE C/C(=N\Nc1nnc(SCCCCOC(=O)C(C)(C)C)[nH]1)c1ccc2ccccc2c1 253565737 ICBXFHMSYTUHAK-PCLIKHOPSA-N 439.585 5.256 30 10 IKEE CCc1nnc(S)n1N=Cc1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1 254520332 DDYQWZFMVVLTKS-UHFFFAOYSA-N 431.732 5.144 30 10 IKEE CCCCOc1cccc([C@@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 526491474 NUYVUMWYJYYTMR-AREMUKBSSA-N 438.527 6.103 30 10 IKEE CCOc1cccc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2C#N)c1 526607460 WHNOBLYQIKYAMV-QHCPKHFHSA-N 430.891 5.668 30 10 IKEE Cc1ccc(NC2=C(Sc3ccc(Cl)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 526643945 YHOBNBKFUWAKQP-UHFFFAOYSA-N 445.931 5.509 30 10 IKEE CCCCCCCOc1ccccc1/C=N\n1c(C)nnc1SCc1ccccc1F 526802396 FVKWWMOBWZOKCF-ONUIUJJFSA-N 440.588 6.249 30 10 IKEE C=C(CC(=O)CCC1CCCCC1)c1cccc(C(C)(C)NC(=O)NC2CCNCC2)c1 585825164 DJRUOFBYMMIUMN-UHFFFAOYSA-N 439.644 5.306 30 10 IKEE COc1ccc(C)cc1S(=O)(=O)N(Cc1cccc(C#N)c1)c1ccc(C(C)C)cc1 586243931 NEQHPHJHKNBZCT-UHFFFAOYSA-N 434.561 5.394 30 10 IKEE C=CCc1cc([C@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1O 687734970 AEAZCTMFGNYUNH-DEOSSOPVSA-N 443.499 5.175 30 10 IKEE CCc1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2cc(O)cc(Cl)c2)cc1 738013147 NDQAAWQSYJRKMV-UHFFFAOYSA-O 436.944 5.090 30 10 IKEE O=C1/C(=C\c2cccc(Br)c2)SC(=Nc2ccccc2)N1c1ccccc1 1084289397 CLYDAFHGZPCBHM-HJFHBGSISA-N 435.346 6.258 30 10 IKEE COc1ccccc1Oc1ccc(C(F)(F)F)cc1N=Cc1c(O)ccc2ccccc12 1084292917 BWRVTHMREQXFON-UHFFFAOYSA-N 437.417 7.116 30 10 IKEE CCCC[C@H](CC)OC(=O)CSc1n[nH]c(NN=Cc2cccc(Cl)c2Cl)n1 1084334410 DSHILXAYSYMHBW-ZDUSSCGKSA-N 444.388 5.162 30 10 IKEE Cc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNc1ccc(F)cc1)CCC2 1772749322 LBVSFOFSJKZJTA-UHFFFAOYSA-N 425.891 6.094 30 10 IKEE CCOc1cc(C=NN(Cc2ccccc2)c2ccccc2)ccc1OCc1nonc1C 1772765420 LCVDMGHVPOZNAK-UHFFFAOYSA-N 442.519 5.396 30 10 IKEE CCCSc1ccc(C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1 1859743834 LFPSYGCFTSWOJC-UHFFFAOYSA-N 438.552 7.240 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1cccc(OCCC)c1 1862386362 LXFSFOUCYJGVQL-FQEVSTJZSA-N 446.330 5.547 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(C)cc1 1862400957 QIQFKTKNLOEWDJ-WIOPSUGQSA-N 449.591 6.249 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccc(Cl)c2)[C@@H]1c1ccccc1)c1ccc(F)cc1F 1862412367 CDZCAGOAQBRTNZ-OAQYLSRUSA-N 439.845 5.397 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(F)cc1 1862413732 KAOXXILGJIMLOZ-FPTDNZKUSA-N 437.417 5.443 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CCCC2)c1 1862433542 FNZHQYYFRFSZBZ-NRFANRHFSA-N 425.912 5.260 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cccc2ccccc12)c1ccccc1Cl 1862434859 IPLJFMPETDLWHG-XMMPIXPASA-N 445.946 6.404 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccccc2C)c1 1862441681 BUYDBIQNYOISKM-DEOSSOPVSA-N 445.946 6.044 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(Cl)c(Cl)c1 1862468064 YIRALUGYYBWKEU-KRWDZBQOSA-N 442.220 5.175 30 10 IKEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2C)cc1 1862475315 IRXVDKVVCAITNQ-DFBJGRDBSA-N 441.527 5.652 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2cccs2)cc1 1862493823 YSJKKYJYDPYYIG-QHCPKHFHSA-N 447.556 5.542 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2Cl)ccc1F 1862502821 JOTYXZUSRIQQQV-HXUWFJFHSA-N 441.911 5.628 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc(C(F)(F)F)cc2)ccc1F 1862509049 WAXZYXWZZLXGEQ-HXUWFJFHSA-N 449.444 5.777 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1c(F)cccc1Cl 1862549732 VUDBWFIYFGTFOW-JOCHJYFZSA-N 441.930 5.736 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1ccccc1C 1862576672 ZGHBNJTVEZEIJQ-HSZRJFAPSA-N 437.536 5.171 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(O)cc1 1862614007 VMDYMKZNJLGHNA-QHCPKHFHSA-N 435.564 5.848 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 1862664245 XPTORYJAQAHUEU-DEOSSOPVSA-N 429.516 5.744 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccc(O)cc2)c1 1862714826 HRSMSAMPMCKQPR-AREMUKBSSA-N 449.506 5.632 30 10 IKEE Cc1c(Cl)cccc1NC1=C(c2ccccc2F)C(=O)N(c2ccccc2C#N)C1=O 1862933701 BOCHJLBNVZITAZ-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3cccc4ccccc34)C(=O)N(c3ccccc3C#N)C2=O)c1 1863036980 OTEPVPQKPONEDT-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)cc2)=C(c2ccc(F)c(C)c2)C1=O 1863455064 SFJJGZZJJUEAAX-UHFFFAOYSA-N 426.507 5.826 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCC(C)C)=C(c2ccc(F)c(C)c2)C1=O 1863791047 ZTSADFSVOAICKQ-UHFFFAOYSA-N 430.608 5.990 30 10 IKEE O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(=O)c2c(F)ccc(F)c2[nH]1 1866497104 WTKJIJQQDAWVLZ-UHFFFAOYSA-N 436.258 5.096 30 10 IKEE CCc1nc(Nc2ccccc2C#N)cc(N2CCc3ccccc3[C@@H]2c2cccc(F)c2)n1 1868286258 CUKMPZPIFFUHED-NDEPHWFRSA-N 449.533 5.945 30 10 IKEE Cc1ccccc1-c1nc(Nc2ccc(C#N)cc2)cc(N2CCO[C@H](c3ccccc3)C2)n1 1868311530 SRCMVSJODPKSDD-VWLOTQADSA-N 447.542 5.645 30 10 IKEE CCCc1nc(Nc2ccccc2C#N)cc(N2C[C@H](C)O[C@H](c3ccc(F)cc3)C2)n1 1868398703 OZBDDDYYOGZPLZ-JTSKRJEESA-N 431.515 5.150 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)c2cccc(Cl)c2)n(-c2ccc(Cl)cc2)n1 1870002296 IXEFIDLTQKWECK-UHFFFAOYSA-N 428.323 5.005 30 10 IKEE CC(C)c1ccc(-n2nnc(C#N)c2NC(=O)[C@@H](Cc2ccccc2)c2ccccc2)cc1 1870147719 DUSCBSJLUKNDAS-DEOSSOPVSA-N 435.531 5.227 30 10 IKEE C=CCOc1cn(CCC2=CCCCC2)c(CNc2ccc(N(CC)CC)cc2C)cc1=O 1870813531 OZTBMXVKMHLBFN-UHFFFAOYSA-N 449.639 6.070 30 10 IKEE CCCCCCCCn1cc(OCCOC(C)C)c(=O)cc1CNc1cccc(F)c1 1870986596 JFRFOOURZQGGEF-UHFFFAOYSA-N 432.580 5.764 30 10 IKEE CCc1ccccc1NCc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCC(C)C 1871254990 ONZUVDXLWTURMY-UHFFFAOYSA-N 429.564 5.520 30 10 IKEE CCc1ccc([C@@H](C)N2COc3cc(C)c4c(c3C2)O/C(=C\c2ccccc2C)C4=O)cc1 1871353921 BJSKNUXCDPPQIN-RWTUPJDWSA-N 439.555 6.395 30 10 IKEE O=C(COc1ccccc1)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 1871364251 MWBIWYUUODBHOS-NHDPSOOVSA-N 441.266 5.594 30 10 IKEE Cc1ccccc1OCCCC(=O)Oc1ccc2c(c1C)O/C(=C\c1ccc(F)cc1)C2=O 1871371555 WMNAVBVEAYHSQE-JLPGSUDCSA-N 446.474 5.823 30 10 IKEE Cc1cc(OC(=O)c2cc(Cl)ccc2Cl)cc2c1C(=O)/C(=C/c1ccccc1)O2 1871380984 HTLOUPDCGUVDQJ-JMIUGGIZSA-N 425.267 6.137 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2F)C3=O)c1 1871387605 FRBCRVFINPBJJE-HAHDFKILSA-N 432.447 5.758 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4cccc(Cl)c4C)ccc3C2=O)cc1 1871407836 SKFYWJQVSVLCSW-ZKDCOOFMSA-N 447.918 5.979 30 10 IKEE CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1C)O/C(=C\c1cn(C)c3ccccc13)C2=O 1871434095 QTDOQNGIUCZWGU-VLDJDNEVSA-N 433.504 5.214 30 10 IKEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)c(C)c1 1872496503 HZFKGDWEFNHODA-QFIPXVFZSA-N 449.016 5.249 30 10 IKEE COc1ccc(OC)c(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)c(Cl)c3)n2)c1 1872771220 OSYBFBUTAOFURF-CQSZACIVSA-N 433.316 5.624 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)Cc3ccccc3Cl)n2)cc1C(C)C 1872779707 PLEXPYQAMSYGNW-IBGZPJMESA-N 438.980 6.323 30 10 IKEE COC(=O)c1nc(-c2ccc(C)cc2)oc1N/N=C/c1ccc(OCc2ccccc2)cc1 1873462270 WOZQUDUEBGSYFK-JVWAILMASA-N 441.487 5.462 30 10 IKEE COc1cc(/C=N/Nc2oc(Cc3cccc4ccccc34)nc2C#N)ccc1OC(C)C 1873464102 XPGCEJJKWUEFCJ-LQKURTRISA-N 440.503 5.532 30 10 IKEE CCCCCCCCNC(=O)c1cc2c(N(CCC)CCC)ncnc2n1CCCC 1873581128 YLNISRPWDQULDI-UHFFFAOYSA-N 429.653 5.948 30 10 IKEE CCCCCCCCNC(=O)c1cc2c(N(CC)CC)ncnc2n1Cc1ccco1 1873596550 BQOWGBLCPGLKDY-UHFFFAOYSA-N 425.577 5.009 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1/N=C/c1ccccn1 1874195048 UJUFXCVPNNXDRQ-NLRVBDNBSA-N 435.597 5.143 30 10 IKEE Cn1cccc1/C=N/n1c(CC23CC4CC(CC(C4)C2)C3)nnc1SCc1ccccc1 1874243474 IHQXBOUCOUUYBQ-WPWMEQJKSA-N 445.636 5.550 30 10 IKEE C=C(C)CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccccc1Cl 1874243491 JBHDNFSQCOYRTN-VULFUBBASA-N 441.044 6.241 30 10 IKEE C=CCSc1nnc(COc2ccc(OC)cc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874293504 GLFDORQPEOUNDK-DHRITJCHSA-N 448.470 5.045 30 10 IKEE Cc1ccc(CCc2nnc(SCCCO)n2/N=C/c2cccc3ccccc23)cc1C 1874332022 QXEHVPWJNGCLBM-OVVQPSECSA-N 444.604 5.190 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(F)cc3)n2/N=C/c2cccc(F)c2)cc1 1874377029 ARFIJEAIGNLUSN-JFLMPSFJSA-N 434.515 5.630 30 10 IKEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2ccc(O)cc2)cc1 1874390004 POYPMJRLMVCHGA-NLRVBDNBSA-N 428.561 5.100 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccccc1 1874399966 YIWXGLCKMBNVJF-CVLFLDGLSA-N 432.980 6.258 30 10 IKEE Cc1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2ccc3c(c2)OCCO3)cc1 1874425662 TUNYTTSOUASWGR-WGOQTCKBSA-N 442.544 5.199 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2cccs2)cc1C 1874425932 IGPWBUNQGUUJEI-ZVHZXABRSA-N 447.589 5.236 30 10 IKEE CCCCCCOc1ccc(/C=N/n2c(SCC)nnc2[C@@H]2CCCO2)cc1OC 1874445506 YHTINAKBPSPHTC-LKZQPVPRSA-N 432.590 5.092 30 10 IKEE CCCCCCOc1ccc(/C=N/n2c(SCCC)nnc2C(F)(F)F)cc1OC 1874462323 SETKUEKWSFFOHL-ZVHZXABRSA-N 444.523 5.649 30 10 IKEE CC(C)(C)c1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3)nnc2C2CCC2)cc1 1874493649 XJMMPVIDRGAMPC-WGOQTCKBSA-N 447.608 5.456 30 10 IKEE COCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1cn(C)c2ccccc12 1874502752 XULZZBIJKWRORD-VULFUBBASA-N 441.560 5.244 30 10 IKEE CCOc1ccc(/C=N/n2c(CC)nnc2SCc2ccc(Cl)cc2)cc1OC 1874527619 XMWZWSZIBSGXBL-YDZHTSKRSA-N 430.961 5.076 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(Br)cc2)c1OCc1cccc(F)c1 1874574391 KDWVUBNFRMDBLN-JLHYYAGUSA-N 441.296 6.072 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2ccccc2OCc2ccc(F)cc2)cc1Cl 1874588704 ZQTVNUUMVQEDAU-FMIVXFBMSA-N 426.871 5.971 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCc3ccccc3)ccc3ccccc23)cc1Cl 1874590553 FBZDQCIUYIQCOK-BUHFOSPRSA-N 428.915 6.977 30 10 IKEE CCCNC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(OC)c(Cl)c1 1874590704 HNGKNVNIPXJKQA-ZHACJKMWSA-N 437.923 5.303 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1OCc1ccccc1 1874598615 VWFNSSYPOIZMEE-LDADJPATSA-N 436.507 6.963 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccccc3Cl)cc2Cl)o1 1874609124 YZPDSUBMORWBDH-JXMROGBWSA-N 445.298 6.238 30 10 IKEE Cc1cccc(COc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2Br)c1 1874624305 WLLPIADAJYUAPE-NTUHNPAUSA-N 449.388 7.356 30 10 IKEE O=C(/C=C/c1ccc(OCc2c(Cl)cccc2Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 1874625224 SHSHOAFBNCUSJP-ONNFQVAWSA-N 446.261 6.516 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(F)c(F)c2)c1)c1ccc(Br)cc1 1874697389 VBJQTCKTOVFBBM-NYYWCZLTSA-N 443.243 5.843 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC(=O)CCc3ccc(Cl)cc3)c2)cc1C 1874717567 BYWSFFYXOWNZIH-UKTHLTGXSA-N 448.946 6.400 30 10 IKEE Cc1cccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2)c1C 1875084935 HXBMDRMDBRNXHP-SDNWHVSQSA-N 431.444 5.092 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)cc2)cc1 1875103620 HVTLSSJYVUCKBM-KEBMYNNESA-N 442.555 6.641 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3)c(OC)c2)cc1 1875107711 FVPVYJBGMTYKEB-GHRIWEEISA-N 428.528 6.082 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)c1ccc(F)cc1 1875123220 XHSSTZQYOIUWCQ-KGVSQERTSA-N 440.854 5.612 30 10 IKEE O=C(Cc1cccs1)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1Br 1875127937 GGCSUEPXQYCVSY-CSKARUKUSA-N 427.319 5.555 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)Cc1ccc(F)c(C)c1 1875134003 IJIKEVLCBQXUJO-YRNVUSSQSA-N 432.491 5.804 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(C)c3)c(OCC)c2)cc1 1875139214 XSFXRINZIBLORU-OQLLNIDSSA-N 444.527 6.298 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)c(F)c3F)c(Cl)c2)ccc1F 1875141877 ZYGIZFMMBLKZRZ-KRXBUXKQSA-N 448.799 6.320 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC(=O)C1CCCC1 1875148593 QHYFBVGYXBJNFS-XNTDXEJSSA-N 436.548 5.993 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3)cc2)c1 1875171804 NVESAZFJJCNLGG-SFQUDFHCSA-N 444.527 5.918 30 10 IKEE Cc1ccc(Nc2cc(Nc3ccc(NC(=O)Nc4cccc(C#N)c4)cc3)nc(C)n2)cc1 1892025210 FBRDIZDKNPBGHJ-UHFFFAOYSA-N 449.518 6.096 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](Cc2cc(Cl)ccc2Br)NCC)C1 1892695575 QDTRDBGYZWGVHP-QGZVFWFLSA-N 443.813 5.237 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(CC)CCCN(C(=O)OC(C)(C)C)C1 1922068883 MBQNTIGUEQOOEW-OZXSUGGESA-N 430.633 5.555 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1snc(C)c1NC(=O)OC(C)(C)C 1922124517 HJWPGLAOBSLNCX-IBGZPJMESA-N 431.602 5.612 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C#N)c1c(Br)cccc1Br 1938365208 NZEBVBBZKQFEMG-SMDDNHRTSA-N 446.183 5.812 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H]1c2ccsc2CCN1C(=O)OC(C)(C)C 2018277887 JEUDUNFFCKONKW-GOTSBHOMSA-N 442.625 5.334 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CC12CCC(C#N)(N(C(=O)OC(C)(C)C)C1CCCCC1)CC2 2030100907 QNGQUYRKFVRFAI-PNEAOOGRSA-N 447.620 5.676 30 10 IKEE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2032560710 ISBBQQRFJRGZFM-BXKMTCNYSA-N 447.551 5.497 30 10 IKEE CC[C@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)CN1C(=O)OC(C)(C)C 2040670195 GHVVZZIYHBBIGV-MHECFPHRSA-N 447.551 5.639 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)C[C@H](C)C2)c1 2041559194 HUHSDDVLVZLCSN-KBMIEXCESA-N 443.588 5.666 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Cl)cc1Br 2077735064 HLBQNMNKOCVEJH-IRXDYDNUSA-N 429.786 5.060 30 10 IKEE CCc1ccc([C@H](n2nc(C3CC3)c(C#N)c2I)C(C)(C)C)cc1 2079070120 BEVWETNNPYEBIM-SFHVURJKSA-N 433.337 5.435 30 10 IKEE Cc1ccc([C@@H](n2nc(C3CC3)c(C#N)c2I)C(C)(C)C)cc1F 2079100375 NGQQGCYJSQVBRC-QGZVFWFLSA-N 437.300 5.320 30 10 IKEE CC(C)c1ccc([C@@H](C2CC2)n2nc(C3CCC3)c(C#N)c2I)cc1 2079945940 OANRKDVNIVEIRJ-FQEVSTJZSA-N 445.348 5.750 30 10 IKEE CC(C)c1nn([C@@H](c2ccc(C(F)(F)F)c(F)c2)C2CC2)c(Br)c1C#N 2079970206 OYJFDYXJBKFQHO-MRXNPFEDSA-N 430.243 5.798 30 10 IKEE CC(C)[C@@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(C)(C)C)c(C#N)c1Br 2080034652 OQVAEDLVMBVXPE-HNNXBMFYSA-N 446.286 6.218 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(Cl)cccc1Br 2089287634 ZHODBBYNPVAZIJ-FUHWJXTLSA-N 443.813 5.450 30 10 IKEE Brc1csc(CN=C2N[C@H](c3ccsc3)CS2)c1Br 2119000865 FCTDKMWSHKFUBZ-VIFPVBQESA-N 438.235 5.268 30 10 IKEE CCOc1cc([C@H](C#N)N(CC(C)C)C(=O)OC(C)(C)C)cc(Br)c1O 2131261091 OAJUSNHVSVIMOW-HNNXBMFYSA-N 427.339 5.011 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)C1(C#N)C[C@@H]2CCCCC[C@H]2C1 2153400512 RKBUEXXTNZIZMZ-IRXDYDNUSA-N 433.390 6.443 30 10 IKEE C[C@@H](NC(=O)OC(C)(C)C)c1cccc(Nc2ccc(C#N)c(Br)c2F)c1 2162306471 OGVOKSZEAQBJBA-GFCCVEGCSA-N 434.309 5.789 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H](C2(Nc3cc(Br)c(C#N)cc3F)CC2)C1 2162335491 QFCMTYNYCXCOKN-AWEZNQCLSA-N 438.341 5.051 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1c1ccc(Nc2ccc(C#N)cc2Br)cc1 2162387425 MYDMCCALWVNPBW-APWZRJJASA-N 428.330 5.445 30 10 IKEE CC1(C)CCC[C@H]([C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)C1 2168592822 RJAXDHBRYDPKGI-KSFYIVLOSA-N 435.406 6.689 30 10 IKEE CC[C@H]1CN(c2cc(Br)c(C#N)cc2F)[C@@H](CC)CN1C(=O)OC(C)(C)C 2174808663 QOPAFHDEFZZBII-GJZGRUSLSA-N 440.357 5.074 30 10 IKEE C=CCCCCCCCC[C@H](O)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2207406450 YOKOUMYGTSWWQG-FQEVSTJZSA-N 440.422 7.136 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1sc(C)c(Br)c1C 2226137249 DQNSELOUWUIXRA-WBVHZDCISA-N 443.451 5.475 30 10 IKEE Cc1sc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)c(C)c1C 2228570675 GVGMPAIDTLOYBU-KRWDZBQOSA-N 435.387 6.442 30 10 IKEE O=C(OCc1ccccc1)N(CC(F)(F)F)[C@@H](CO)c1cc(F)cc(C(F)(F)F)c1 2235301334 KVIBBSKDSCDNIC-INIZCTEOSA-N 439.327 5.079 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)CC(C)(C)CNC(=O)OC(C)(C)C 2235728512 LQHYLPMZQQOTAC-SFHVURJKSA-N 437.422 5.110 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)[C@H](NC(=O)OC(C)(C)C)[C@H](C)CC 2235730898 PITCJIJAZROPBH-NSISKUIASA-N 437.422 5.108 30 10 IKEE CCN[C@@H](C#Cc1ccccc1Br)[C@H](NC(=O)OC(C)(C)C)c1cccs1 2235734829 XZZMWJDFTQJIRW-HKUYNNGSSA-N 449.414 5.106 30 10 IKEE CN[C@@H](C#Cc1ccccc1Br)c1cc(F)cc(NC(=O)OC(C)(C)C)c1 2235749142 HIDXJQUAABTNKA-IBGZPJMESA-N 433.321 5.247 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2cc(C)ccc2Br)c1 2236340275 YYYQXRFNAYGPEY-LJQANCHMSA-N 431.330 5.773 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(OC)c(Br)s1 2263743815 QCROBGGHDVEIHB-DOMZBBRYSA-N 433.412 5.029 30 10 IKEE CCCCCCC[C@@H](OCC(=O)O)c1scc(Br)c1Br 2291946216 HOPXOXAVFDJHID-LLVKDONJSA-N 428.186 5.776 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(OCc3cccc4ccccc34)c(OC)c2)SC1=S 2293299515 LHEKEQJRTNAVRD-UHFFFAOYSA-N 447.581 5.815 30 10 IKEE Cc1cc(C)c2nc(N3C(=O)C(=O)C(=C(O)c4cccs4)[C@H]3c3ccccc3)sc2c1 2296091359 LLWBFZLYYIWVKT-HXUWFJFHSA-N 446.553 5.601 30 10 IKEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@H](CCC(C)C)NC(=O)OC(C)(C)C 2296219213 LZNHGCBFRAGYPJ-PMACEKPBSA-N 437.422 5.108 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)C#Cc1cccc(Br)c1 2296223517 ASHCXQGZJBAANC-IBGZPJMESA-N 434.374 5.233 30 10 IKEE COc1ccc(C=C2CCc3ccccc3C2=O)cc1CSc1nc2ccccc2s1 2296667019 ICKQDWXVBXZGBR-UHFFFAOYSA-N 443.593 6.810 30 10 IKEE CCc1ccc(NC=C2C(=O)c3ccccc3N(Cc3cccc(C)c3)S2(=O)=O)cc1 2297335005 ZMKUEBFCHWOLAN-UHFFFAOYSA-N 432.545 5.044 30 10 IKEE CC1(C)C(=S)N(c2cccc(C(F)(F)F)c2)C(=NC2CCCCC2)[C@@H]1N1CCCC1 2297382626 RXUHEUITNJXKRA-IBGZPJMESA-N 437.575 6.075 30 10 IKEE O=C1C(=Cc2cccc([N+](=O)[O-])c2)Oc2cc(OCc3c(F)cccc3Cl)ccc21 2314438228 LWTSTVQYSMKOOR-UHFFFAOYSA-N 425.799 5.583 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCCC)c2cccc(OCc3ccccc3)c2)C1 2314445678 SAVIPMRGEBUNRJ-XMMPIXPASA-N 436.596 5.920 30 10 IKEE CCN[C@H](C#Cc1ccc(C(F)F)nc1)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 2317960592 WYLBKRSFEVTNNM-OAQYLSRUSA-N 443.538 5.176 30 10 IKEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2321343503 DSJJMEVVDVQZIT-SRGWNRLKSA-N 447.551 5.495 30 10 IKEE Sc1nnc(C2CCCC2)n1N=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 2321928108 DJZOFJWSCODIST-UHFFFAOYSA-N 447.391 5.992 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1COc2ccc3c(c2C1)OC(=Cc1c(Cl)cccc1Cl)C3=O 2322145985 INXISPLBRNCVQG-VLIAUNLRSA-N 444.358 6.340 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)O3)CN([C@@H]1CCCC[C@@H]1C)CO2 2322153238 PJLDUADOUXZVQW-MGPUTAFESA-N 434.492 5.250 30 10 IKEE COC(=O)c1ccc(COc2ccc(Cl)cc2C=CC(=O)c2ccc(OC)c(C)c2)o1 2322415655 WFPYPZXTRPSJLO-UHFFFAOYSA-N 440.879 5.512 30 10 IKEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C=O)(Cc1sc(Cl)cc1Br)C2 2322544196 OKUAVGTYIFRNBW-RYUDHWBXSA-N 448.810 5.454 30 10 IKEE O=C(Cc1cccs1)Oc1ccc2c(c1)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2322860695 OJMIWKYMHUETOG-UHFFFAOYSA-N 431.296 5.819 30 10 IKEE CCOC(=O)c1ccc(COc2cc(C=CC(=O)c3ccc(C(C)C)cc3)ccc2OC)o1 2323203649 QJCJBNKQDPWVTE-UHFFFAOYSA-N 448.515 6.063 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1[N+](=O)[O-] 2323328167 FVCYUJRSCMTUJW-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OCc2ccccc2F)c(Br)c1 2323701648 FASDLZHWZMIMQD-UHFFFAOYSA-N 441.296 6.072 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OCC(=O)Nc2ccc(C)c(C)c2)c(Cl)c1 2323701769 ROVQRLQGLVSPJC-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2Cl)C3=O)cc1 2323791581 AYWZOUUPPJTQOD-UHFFFAOYSA-N 434.875 5.883 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 2323807860 IPBLTSPGGIMWNE-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE CCOc1cc(C=NNc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc(Cl)c1OC 2323842722 KHQSJAHWLNBVNU-UHFFFAOYSA-N 444.944 5.275 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2F)C3=O)cc1 2323887710 VAUVNDOOKQFHIS-UHFFFAOYSA-N 446.430 5.285 30 10 IKEE Cc1cc(O)c(CN2C[C@H](C)O[C@H](C)C2)c2c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O2 2324017863 BJCIPTIQYVJXTJ-HDICACEKSA-N 435.564 5.224 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc(OC)c1OCC(=C)C 2324269532 OWLLMLRBYHEFIC-UHFFFAOYSA-N 434.576 6.715 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OCc3cc(C)ccc3C)cc2)c1 2324383513 UDNAUHABOSLPQA-UHFFFAOYSA-N 430.544 6.576 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(OC)cc2)C3=O)cc1 2324474746 QLJPSNWCIIEAHN-KRWDZBQOSA-N 443.499 5.280 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2OC)ccc1OCc1cccc(F)c1 2324475066 MNEZDKKJNFEOCD-UHFFFAOYSA-N 436.479 5.717 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccc(Br)cc1 2325509536 MRRQUGJQYRTEQT-UHFFFAOYSA-N 443.414 5.866 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccccc3Br)c2)cc1 2325705431 DKFJJQNUDLDCSV-UHFFFAOYSA-N 435.317 6.127 30 10 IKEE CCc1cccc(CC)c1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccco1)C2=O 2325718733 JQJZJZVESQIOPF-UHFFFAOYSA-N 431.488 5.347 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3c(F)cccc3Cl)c2)c(OC)c1 2325761699 AIUSKHCXGWYZJX-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccc(OC)cc1 2326017664 KALQOAIKFBKUHI-UHFFFAOYSA-N 442.972 5.112 30 10 IKEE CCc1nnc(SCc2ccccc2F)n1N=Cc1cc(Cl)c(O)c(Cl)c1 2326269196 DXPSPBCADOHALG-UHFFFAOYSA-N 425.316 5.167 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CCCOc2ccc(C)cc2)nnc1SCC=C 2327205348 OPCFEARIISUXHQ-UHFFFAOYSA-N 448.592 5.323 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2ccccc2F)n1N=Cc1cccnc1 2328557163 BYVRNMOITAZRDK-UHFFFAOYSA-N 447.539 5.183 30 10 IKEE Cc1ccccc1CSc1nnc(CCCOc2ccccc2)n1N=Cc1cccs1 2328719767 RLLRQYIDQUFPRM-UHFFFAOYSA-N 448.617 5.834 30 10 IKEE Cc1cccc(OCc2nnc(SCc3ccccc3)n2N=Cc2cccc(O)c2)c1C 2328846885 JEPLLXKCCBPFMD-UHFFFAOYSA-N 444.560 5.354 30 10 IKEE CCSc1nnc(COc2ccc(C)cc2C)n1N=Cc1c(OC)ccc2ccccc12 2328893433 ZLAKXLWWQSRYAD-UHFFFAOYSA-N 446.576 5.630 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SCC)nnc2-c2cccs2)cc1OC 2330567385 XYSROHWMXASJOY-UHFFFAOYSA-N 430.599 5.578 30 10 IKEE Oc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2-c2cccs2)c(O)c1 2330584176 NCGSXBNFJJUJCU-UHFFFAOYSA-N 442.953 5.246 30 10 IKEE Cc1cc(C)cc(C(=O)Oc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2[N+](=O)[O-])c1 2330632679 BRGWHVHHOFGAQY-UHFFFAOYSA-N 446.415 5.235 30 10 IKEE O=C(Cc1cccs1)Oc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1Cl 2330659121 VMZIWULMFWPPFB-UHFFFAOYSA-N 432.928 6.599 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)ccc1OC(=O)Cc1ccc(F)cc1 2330794551 MZFNWSAYHUIDRA-UHFFFAOYSA-N 434.463 5.277 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(F)cc2)n1N=Cc1cccc2ccccc12 2330814694 YEOBBQHVPXLOPF-UHFFFAOYSA-N 432.568 6.334 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1cccnc1 2330821940 HDCRQIBEUJSLEZ-UHFFFAOYSA-N 428.271 5.512 30 10 IKEE C=C(C)CSc1nnc([C@@H]2CCCO2)n1N=Cc1ccc(OCc2ccccc2)cc1 2330951953 CYQAMGQRCQFEDF-QFIPXVFZSA-N 434.565 5.259 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2331018273 FLVDSUTZZKRZOF-UHFFFAOYSA-N 431.444 5.038 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1Cl 2331087207 DPDLSRNLILPEGL-UHFFFAOYSA-N 430.809 5.802 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(F)c(F)c1 2331136427 ZLGNBDZJVWWSTE-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE C=C(C)CSc1nnc(-c2ccco2)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2331201582 KDFXOKXQPFKNPC-UHFFFAOYSA-N 444.516 5.308 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccccc3)nnc2-c2ccco2)cc1OCC 2331206741 DMMJWKRGRYKGDI-UHFFFAOYSA-N 448.548 5.510 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)cc2)cc1 2331259059 FSOPDXNBOYOQAE-UHFFFAOYSA-N 430.460 5.085 30 10 IKEE CC(C)(C)c1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(C(=O)O)cc1 2331397708 WXZHPJPRIPZDCK-UHFFFAOYSA-N 428.945 5.102 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)cc2)c(C)c1C 2331612301 CESIYDLSHSTPGH-UHFFFAOYSA-N 444.571 6.330 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2ccc(OC(=O)CC(C)C)c([N+](=O)[O-])c2)cc1Cl 2331698189 LWMZCHSWTBPXSJ-UHFFFAOYSA-N 447.871 5.113 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1OC 2331780408 DRSYEXANWZPSNX-UHFFFAOYSA-N 428.956 6.556 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc3c(c2)OCO3)cc1 2331875147 XWRPDCNKSZHWRG-UHFFFAOYSA-N 436.847 5.193 30 10 IKEE N#CC[C@@H](Sc1cc(I)ccc1Br)c1ccccc1 2338404240 PZIZDGFLDNEXNN-CQSZACIVSA-N 444.135 5.801 30 10 IKEE CC1(C)CN(Cc2ccccc2)C[C@@H]1Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339583704 YFKWYNWJPCQHRB-QFIPXVFZSA-N 433.405 5.049 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccc(Br)c(C#N)c2)[C@H]1C(F)(F)F 2370051383 VBUDLNJLEZHKMA-CABCVRRESA-N 448.283 5.063 30 10 IKEE CCN(CC)c1ccc([C@H]2C(C(=O)Nc3ccccc3F)=C(C)NC3=C2C(=O)CCC3)cc1 4635548 YODKLHFPZCJAOA-VWLOTQADSA-N 447.554 5.279 30 10 IKEE CCCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1cccs1)C2 21237562 XJFDCYKQZAQNBV-MRDQGFSESA-N 430.573 6.516 30 10 IKEE C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)c1c[nH]c2ccccc12 21373587 WNNDYVLLOPAKIA-OAHLLOKOSA-N 436.512 5.027 30 10 IKEE CC/C(O)=N/c1nc2c(C)cc(NS(=O)(=O)c3cc(Cl)ccc3OC)cc2s1 33007721 JTXWSMUWDDFXFK-UHFFFAOYSA-N 439.946 5.066 30 10 IKEE CC(C)(C)c1ccc(/C=C2/Oc3cc(OCc4ccc([N+](=O)[O-])cc4)ccc3C2=O)cc1 33654509 JMKQWVHLXDQERN-ZVHZXABRSA-N 429.472 6.088 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(Cl)cc2)c1 33698021 GAOHEFYSPAFORN-QFIPXVFZSA-N 432.907 5.130 30 10 IKEE O=C(/C=C\c1ccc(/C=C\C(=O)c2ccc(Br)cc2)cc1)c1ccc(F)cc1 33761651 SEPAHOILTXRJPS-KNBRTIFXSA-N 435.292 6.380 30 10 IKEE COc1ccccc1CN1COc2c(cc3c(c2C)O/C(=C\c2ccc(C)cc2)C3=O)C1 41586751 JXYIUEICMVSKOS-MSXFZWOLSA-N 427.500 5.280 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2sc(C(=O)OC)c(C)c2C(=O)OCC)c1 62050172 FJGITGYCBPIXLK-UHFFFAOYSA-N 444.553 5.110 30 10 IKEE CCCCCCCOc1cccc(NC(=O)CNc2ccc(Oc3ccccc3)cc2)c1 100060023 ZDDRQWRCNWNWIC-UHFFFAOYSA-N 432.564 6.879 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1cccc(NC(=O)CC)c1C 100444381 ZQVVGNDHKBBWFR-UHFFFAOYSA-N 447.689 6.858 30 10 IKEE CCCCCCCCCCCn1c(CCNC(=O)c2ccccc2C)nc2ccccc21 102138294 HMMGHQNDUJBUDU-UHFFFAOYSA-N 433.640 6.848 30 10 IKEE COc1ccc(/N=C2\NC(=O)S\C2=C\c2ccc3noc(-c4ccccc4)c3c2)cc1 110566971 ZQBOYPJIOJBMIX-KGENOOAVSA-N 427.485 6.031 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2cccc(C)c2)cc1 169966061 WZRMONGQYFXJCC-DEOSSOPVSA-N 427.500 5.349 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2cccc(C)c2)c(C)c1 169971540 YWRVFUMOXZCWLB-HSZRJFAPSA-N 449.453 5.373 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccccc2)c1 170048813 LCZKQYWBHSDEME-RUZDIDTESA-N 425.528 6.210 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2cccs2)c1 170157959 MJHVUPDHYOEPHP-JOCHJYFZSA-N 449.528 5.165 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2cccs2)cc1OC 170158347 IDSHAXBYHGBWRC-JOCHJYFZSA-N 449.528 5.165 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1cccnc1)c1ccc2c(c1)CCCC2 170191478 JUNGBCUDVKMZQT-HSZRJFAPSA-N 446.453 5.022 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccncc2)c(C)c1 170205636 QHTRVSAYLSLXQN-VWLOTQADSA-N 434.495 5.635 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@@H]1c1ccccc1 170232873 LYJGPNHZWVPANV-FQEVSTJZSA-N 442.353 5.526 30 10 IKEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3)ccc2O1 170237157 OWZMLQYNNPRBPH-RCDICMHDSA-N 437.923 5.184 30 10 IKEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(F)cc2)c1 170241052 PECUZPDPHYGNEF-QHCPKHFHSA-N 449.478 5.232 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(F)cc1 170243597 YABZTSHTLALIPM-JOCHJYFZSA-N 425.500 5.157 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@@H]1c1ccc(F)cc1 170243671 YNJOTXVEAOGJLA-FQEVSTJZSA-N 431.891 5.256 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCCC)c2)[C@@H]1c1ccc(C(C)C)cc1 170245773 UKKOIEDXMJNTNN-VWLOTQADSA-N 449.591 6.367 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccccc2F)c1 170248638 GNZXUUHQOBIOOO-GYCJOSAFSA-N 443.474 5.240 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccco2)cc1C(C)C 170284956 SOFOZWOXDIKRLP-DEOSSOPVSA-N 445.515 5.811 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(C)o2)cc1C 170301498 NEPJKXYMDCAVSK-HSZRJFAPSA-N 447.487 5.087 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccc(C)o2)cc1C(C)C 170305491 UGHLFUMHKNDVIA-DEOSSOPVSA-N 445.515 5.811 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(C)o2)cc1C(C)C 170310806 PVSKGAGTNKHSJO-QHCPKHFHSA-N 437.536 5.549 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C(C)C)cc2)cc1 170360391 PSJBZPLEOKQRMB-HSZRJFAPSA-N 431.488 5.585 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1nc2ccc(CC)cc2s1 170507088 VRNLJJIGGJNHIL-UHFFFAOYSA-N 444.729 9.059 30 10 IKEE Cc1nc(C)c(Cc2ccccc2)c(Nc2c(C#N)cnn2-c2ccc3ccccc3n2)n1 170547522 FFZOKTADWOMMLU-UHFFFAOYSA-N 431.503 5.033 30 10 IKEE CCCCCCCC(=O)OC[C@@H](COCc1ccccc1)OC(=O)CCCCCCC 210109818 YKYDQMIJNZBEQD-XMMPIXPASA-N 434.617 6.379 30 10 IKEE CC(=NOCc1ccccc1C)c1cc(-c2ccc(F)cc2)n(-c2cccc(C)c2)c1C 254500901 KWDOIYRZCIZQHJ-UHFFFAOYSA-N 426.535 7.149 30 10 IKEE COC(=O)c1ccc(/C=C2\SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1 254832700 IDTSPQIBXYVEAG-MLSYBWHESA-N 442.540 5.899 30 10 IKEE C=CCn1c(=NC(=O)c2cccc(Oc3ccccc3)c2)sc2cc(OCC)ccc21 254911762 OFXBAEHIXKZWTK-UHFFFAOYSA-N 430.529 5.821 30 10 IKEE C=C(CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1CC3)C(C)C 257484579 MMNYKQIDRZNIKT-YGJAXPFJSA-N 426.729 8.335 30 10 IKEE C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CNCC[C@H](c4ccc(C)cc4)c4ccco4)[C@@H]3C[C@@H]12 504318806 NWVOLYRDQMXQQP-OOWQNLDKSA-N 447.619 6.014 30 10 IKEE biogenic CC(C)Oc1cccc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)c1 526515567 JULCDJOKDXNGRY-XMMPIXPASA-N 444.918 6.056 30 10 IKEE CCN(CC)c1ccc([C@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526608013 CAJIMXCRYCMKFQ-SANMLTNESA-N 437.543 5.770 30 10 IKEE CCc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(Sc3ccc(C)cc3)C2=O)cc1 526660812 OWXKEQFTYPUOAB-UHFFFAOYSA-N 439.540 5.418 30 10 IKEE CCCCc1nnc(SCc2ccccc2)n1/N=C\c1ccc(Br)cc1 526800848 YIJQXFAZTUYLRH-HMAPJEAMSA-N 429.387 5.558 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1/N=C\c1ccccc1C(F)(F)F 526803256 UJCBHFXALKDANM-ZMFRSBBQSA-N 436.478 5.953 30 10 IKEE CCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1cc(Cl)c(OC)c(OC)c1 526807843 HMMFAMFJUBZYLS-CFRMEGHHSA-N 444.988 5.384 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1cc(OC)ccc1OC 526821387 PZZADXNLJNDVMM-MYYYXRDXSA-N 432.549 5.185 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1c(OC)ccc2ccccc12 526826240 XIAALVCUXULZBQ-YUMHPJSZSA-N 448.567 6.096 30 10 IKEE COc1ccc(Br)c([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(C)c2)c1 698421078 XVTJMFXRYSDVRA-IBGZPJMESA-N 431.330 5.773 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@H](C#N)c1cc(Br)ccc1Cl 698457013 OVAYTPGVPRNTHD-KRWDZBQOSA-N 427.770 6.237 30 10 IKEE COc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)c(Br)c1 698855444 OOLUBHSSYKJTDW-LJQANCHMSA-N 437.378 5.982 30 10 IKEE C[C@H]1N(Cc2ccccc2)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 698901609 KBSGILILVCBDJQ-HOYKHHGWSA-N 425.960 5.638 30 10 IKEE C=C1CCC(CC(=O)C2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)CC1 724618213 KMMHWAFGBTXSMC-UHFFFAOYSA-N 426.601 5.252 30 10 IKEE Cc1cccc(C[C@@H]2SC(=Nc3ccc(C(=O)O)cc3)N(CCc3ccccc3)C2=O)c1 1772728177 RBGBOIJWNKIZIP-QHCPKHFHSA-N 444.556 5.110 30 10 IKEE C/C(=N\OCc1cc(=O)c(OCc2ccccc2)cn1C)c1ccc(-c2ccccc2)cc1 1857935341 CPBWCUZQWPOZBX-XHLNEMQHSA-N 438.527 5.572 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)c2cc3cc(Cl)ccc3o2)nc2c(C)cccc12 1859750222 QXCOAVDACDGRBQ-UHFFFAOYSA-N 441.878 5.561 30 10 IKEE N#Cc1cccc(N2C(=O)/C(=C\c3cccc(OCc4ccccc4)c3)SC2=S)c1 1860084110 DXEPHPOXNPYRND-HYARGMPZSA-N 428.538 5.543 30 10 IKEE O=C(/C=C/c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccccc1Oc1ccccc1 1860729328 DFSGTNLGXIDCJV-VHEBQXMUSA-N 449.506 6.279 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](C)NC(=O)C(C)(C)Oc1ccc(Cl)cc1 1861458723 LKOKCRPBYPFRLL-GOSISDBHSA-N 425.013 5.259 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)c1ccc(-c2ccccc2)cc1 1861474662 LSOCCTLVBHMKJN-SANMLTNESA-N 436.640 6.509 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2cccc(Cl)c2)n(Cc2ccc(Cl)cc2)n1 1862339919 FWYQTTBYDCPCJM-UHFFFAOYSA-N 426.347 5.719 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccccc1C(=O)O 1862380408 BPTMFZNTBZOJBN-GOSISDBHSA-N 448.302 5.070 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccc(F)c2)cc1 1862390446 DGESDFCHOOSKIB-HSZRJFAPSA-N 449.547 6.008 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(Cl)cc1Cl 1862408163 FZFHTORBIKHAPV-RNODOKPDSA-N 448.346 5.687 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(O)cc1 1862430410 JSKDEHLYBLSXGV-VGOFRKELSA-N 441.955 5.983 30 10 IKEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@H]1c1ccccc1F)c1cccc(Cl)c1 1862443964 UZNOFZVPSAGOMD-FQEVSTJZSA-N 441.911 5.362 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(C(C)(C)C)cc1 1862461934 QVCUHIHDMVPHPQ-NRFANRHFSA-N 445.481 5.636 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccccc2Cl)cc1 1862476329 INWKXVCHHLNIME-UZUQRXQVSA-N 431.919 5.988 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@@H]2c2cccc(F)c2)c1 1862488488 BBSXULPXABTAAL-HSZRJFAPSA-N 449.909 5.874 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccccc1F 1862490648 ZZQJSHATZWMIJN-DEOSSOPVSA-N 437.555 6.381 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(F)cc1 1862529704 JHXHQGSRCYCURJ-XMMPIXPASA-N 437.555 6.327 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@@H]2c2ccccc2C)cc1 1862535016 ZFRUKTPOLPTDHW-XMMPIXPASA-N 445.946 5.989 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(Cl)c(Cl)c1)c1cccc(O)c1 1862596286 DEDWPRPJGIUYHH-IBGZPJMESA-N 444.270 5.071 30 10 IKEE CCN(CC)CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccccc1 1862660153 JEJGCUSMOVJMSP-VWLOTQADSA-N 448.607 5.510 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CCCCCCC2)c1 1862660513 NCMXNEZMPGJBMW-SANMLTNESA-N 445.603 6.810 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccc(F)cc2)c1 1862703151 SDBUBXCHPXFKGG-QHCPKHFHSA-N 435.495 5.303 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(C(C)C)cc1 1862714276 ILXREGFJCMIJBY-VWLOTQADSA-N 427.544 6.198 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccc(C)c1 1862722516 SBTXIDBFUCNDMN-CLOONOSVSA-N 425.528 6.039 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(Cl)cc2Cl)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863286666 MICAGMRALRPNNZ-UHFFFAOYSA-N 442.129 5.678 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3cccc(C#N)c3)C(=O)N(CCCCc3ccccc3)C2=O)c1 1863402733 HGHYNJMNFGGCQI-UHFFFAOYSA-N 449.554 5.390 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2Oc2ccccc2)=C(c2ccc(F)c(C)c2)C1=O 1863463008 WSPRTFJDJWLGBU-UHFFFAOYSA-N 428.463 5.304 30 10 IKEE CCC[C@H](NC(=O)[C@H](c1ccc(Cl)cc1)C1CCCC1)C(=O)Nc1ccccc1C#N 1867006016 PEWGQAXMNOIEMT-GOTSBHOMSA-N 437.971 5.409 30 10 IKEE CC(C)c1cc(C(C)C)cc(-n2nnc(C#N)c2NC(=O)CCc2ccc(Cl)cc2)c1 1870155702 AGFHTLLRIZJCCC-UHFFFAOYSA-N 435.959 5.610 30 10 IKEE CCn1cc(OCc2ccc(F)cc2)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870170030 UTHFVPBMWAGCMP-UHFFFAOYSA-N 437.540 5.071 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2c(C)cccc2C)cn1Cc1ccccc1C 1870488460 DYRCUDGUBKMGGH-UHFFFAOYSA-N 442.603 5.575 30 10 IKEE CCCCCCCCn1cc(OCc2c(F)cccc2Cl)c(=O)cc1CN1CCCC1 1870636097 PWYQPGKDWRVPLI-UHFFFAOYSA-N 449.010 6.176 30 10 IKEE C#CCOc1cn(CCCCCCCCCC)c(CNc2ccc(N(C)C)cc2)cc1=O 1871006246 WUUZVONNRJDHEQ-UHFFFAOYSA-N 437.628 5.679 30 10 IKEE CCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CNc1ccc2[nH]ncc2c1 1871257165 DJLQPEWJCRCABG-UHFFFAOYSA-N 438.616 6.122 30 10 IKEE Cc1cc(OC(=O)/C=C/c2ccc(F)cc2)cc2c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O2 1871366064 QGXUNGHTQNTLBN-QXXZEVIWSA-N 442.486 6.493 30 10 IKEE Cc1cc(OC(=O)CCCOc2ccccc2)cc2c1C(=O)/C(=C/c1ccccc1F)O2 1871371035 HPBLYIXGSKVBTL-HAHDFKILSA-N 432.447 5.515 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(CN(Cc3ccccc3)C(C)C)c(O)cc(C)c2C1=O 1871395653 ZMSGQONUADKWQP-MYYYXRDXSA-N 427.544 6.036 30 10 IKEE CCc1ccc(OCCCOc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1 1871412829 GNOKUWOJVIIOBG-VEILYXNESA-N 442.555 6.837 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OC(c4ccccc4)c4ccccc4)cc(C)c3C2=O)c1 1871431294 NELPDJAUZONYGI-IMRQLAEWSA-N 432.519 7.088 30 10 IKEE CCCCCCOC(=O)[C@@H](CC)Oc1ccc2c(c1)O/C(=C\c1sccc1C)C2=O 1871432762 GBKHXENRDMMBGW-CBAAQYGVSA-N 428.550 5.954 30 10 IKEE Cc1ccccc1/C=C1\Oc2cc(OCc3ccc(C(=O)OC(C)C)o3)cc(C)c2C1=O 1871439357 VBQRMOINWHUOTO-FMCGGJTJSA-N 432.472 5.657 30 10 IKEE Cc1ccc2oc(=O)cc(COc3cc(C)c4c(c3)O/C(=C\c3ccccc3C)C4=O)c2c1 1871460949 NPAHFIBOWDLNJI-ROTLSHHCSA-N 438.479 5.913 30 10 IKEE CCCCCCCCN=c1nc(N2C[C@@H](C)C[C@@H](C)C2)[nH]c(=Nc2cc(C)cc(C)c2)[nH]1 1871550374 LVWRHEHYSIXIND-SZPZYZBQSA-N 438.664 5.331 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccccc1C(C)C)[C@@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872460656 GJFSUDSDGKENRL-MBSDFSHPSA-N 446.588 5.179 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cccc(C)c1C)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872525294 XVOJBSSHFZQLFH-CYFREDJKSA-N 442.625 5.232 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(C)c(C)c1 1872557139 XQEFQCRWAFSFSN-XMMPIXPASA-N 442.625 5.294 30 10 IKEE N#Cc1ccc(NC(=O)c2ccc3nc(-c4cccc(OCc5ccccc5)c4)[nH]c3c2)cc1 1872735161 HWXCBAQKXMXQAG-UHFFFAOYSA-N 444.494 5.933 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 1872760540 QVHKYOCJZYVGPP-VTJDKEBTSA-N 428.557 5.977 30 10 IKEE N#C[C@@H](C(=O)c1c(F)cccc1Cl)c1nc(-c2ccc(Br)cc2)cs1 1872764187 GEDNTWUUFLBPNK-LBPRGKRZSA-N 435.705 5.855 30 10 IKEE O=C(Nc1cc(F)ccc1F)c1cccc(COc2c(F)c(F)c(F)c(F)c2F)c1 1872842530 NTJCGJDUOAXRHE-UHFFFAOYSA-N 429.291 5.492 30 10 IKEE N#Cc1nc(-c2ccc(Br)o2)oc1N/N=C/c1cccc(Oc2ccccc2)c1 1873461864 BKQZSKFPMDZKAM-ZMOGYAJESA-N 449.264 5.807 30 10 IKEE N#Cc1nc([C@@H]2C[C@@H]2c2ccccc2)oc1N/N=C/c1ccc(OCc2ccccc2)cc1 1873470528 KEOARFBJLHBNLJ-AMFXKJIPSA-N 434.499 5.842 30 10 IKEE Cn1c(/C=N/n2c(SCc3ccccc3F)nnc2C(F)(F)F)cc2ccccc21 1873503251 FJVQAHJPFDBSDV-OPEKNORGSA-N 433.434 5.102 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(F)c(Cl)c2)cc2c(NCc3ccc(C)cc3)ncnc21 1873641682 GQSUVTLFHHUIDM-UHFFFAOYSA-N 449.917 5.583 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/N=c2ccc3nnc(C)n3[nH]2)cc1Cl 1873792671 MFSOQCUKVSLGPO-LFVJCYFKSA-N 428.968 5.083 30 10 IKEE CSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1ccc(C(C)C)cc1 1874211832 PMGWOFRWAUJJFO-LPYMAVHISA-N 429.387 5.359 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3C)n2/N=C/c2ccccc2F)c1 1874361525 OFIYEQURIHAFDY-OGLMXYFKSA-N 444.579 5.994 30 10 IKEE C=C(C)CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1c(Cl)cccc1Cl 1874395954 ZIVMNENZFYTOBY-ZIFAQYRBSA-N 431.392 6.287 30 10 IKEE Clc1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2ccccn2)c(Cl)c1 1874424553 QWUHXKPXFNRJOS-FOKLQQMPSA-N 446.388 5.883 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CCCC2)cc1 1874457503 RNIIQMLJKKMYHA-ZVHZXABRSA-N 426.973 5.772 30 10 IKEE CCCOc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2ccc(F)cc2)cc1 1874487231 GXEOWFLCPUYMJL-MFKUBSTISA-N 426.561 5.579 30 10 IKEE Fc1cccc(Cl)c1COc1ccc(/C=N/n2c(S)nnc2C2CCCC2)cc1 1874559648 DTMSOMHMSZFITB-WYMPLXKRSA-N 430.936 5.478 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)OCC(C)C)cc1 1874573976 OJVDEYWRVCWPMT-ACCUITESSA-N 428.956 6.157 30 10 IKEE O=C(/C=C/c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 1874577343 JNNGHLXNPUNTMX-UXBLZVDNSA-N 428.271 6.377 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2F)c1 1874580622 XRZKVTVOYQSGDF-PKNBQFBNSA-N 437.898 6.010 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)c1 1874585785 FXMGBKKSVBZSRY-RVDMUPIBSA-N 447.487 5.867 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OCc1c(Cl)cccc1Cl 1874594880 IICIUFXHFPQXBO-PKNBQFBNSA-N 447.745 7.131 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3ccc(Cl)c(Cl)c3)c2)cc1 1874595017 PPCHRSYEJPIXEO-NYYWCZLTSA-N 443.326 6.486 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2)c(Br)c1OCc1cccc(F)c1 1874595230 ALSBDECETVSCNP-ZRDIBKRKSA-N 441.296 6.072 30 10 IKEE O=C(/C=C/c1cccc(OCc2c(Cl)cccc2Cl)c1)c1cccc2ccccc12 1874597624 WLPXZXPELZWZQA-CCEZHUSRSA-N 433.334 7.622 30 10 IKEE O=C(/C=C/c1ccc(OCCc2ccccc2)c(Cl)c1)c1cccc(Br)c1 1874610003 VXSFJJIOEZFGOU-PKNBQFBNSA-N 441.752 6.620 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 1874610769 KHNKPZVTJRPOIN-FRKPEAEDSA-N 430.460 5.071 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OCC(=O)Nc1ccc(C)c(C)c1 1874611956 ZETHXDHVLFYZMV-JLHYYAGUSA-N 445.515 5.234 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1ccc(Cl)cc1 1874613240 KCEZSCVWRLLYRE-QDEBKDIKSA-N 428.271 6.377 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2F)c(Br)c1)c1ccc(Cl)cc1 1874613260 LBPHJHVTSPMNEB-VZUCSPMQSA-N 445.715 6.717 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(CC)cc1 1874616703 ONICLUKHKOIALM-MHWRWJLKSA-N 443.543 5.870 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1F 1874622637 NGNKQECMQLDVNU-MHWRWJLKSA-N 432.535 6.997 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(F)cc1F 1874700051 ZDLGHCWLHCYWEW-RUDMXATFSA-N 433.237 6.387 30 10 IKEE CCCCCCCCC(=O)Oc1cc(/C=C/C(=O)c2ccc(OCC)cc2)ccc1OC 1874701585 ZSSDRAUTHRZSQO-LDADJPATSA-N 438.564 6.646 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1OC(=O)CC1CCCCC1 1874711574 CMVSWYIGNPEMSI-ACCUITESSA-N 434.576 6.701 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cccc(OC(=O)CC3CCCCC3)c2)c1 1874713009 BDIKZJBSVPIZEP-FYWRMAATSA-N 436.548 6.256 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)[C@H](C)c1ccccc1 1875094491 VJVBJNBKWSAWTG-QIXNEVBVSA-N 445.471 5.599 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccccc3OC)c(OC)c2)cc1 1875102005 VLZLGXDOALZRPB-RVDMUPIBSA-N 446.499 5.147 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 1875110543 PWPOSOPALAILJD-PKNBQFBNSA-N 437.835 5.372 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OC(=O)Cc1ccccc1Cl 1875110593 RPTJWZPESRQURY-ZRDIBKRKSA-N 441.310 6.046 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc(Cl)ccc3Cl)c(Cl)c2)cc1 1875133255 MCOSLGRDWRUZPM-ONNFQVAWSA-N 445.729 7.071 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1ccc(C)c(C)c1 1875133298 OETGCDJTPUGKIY-UKTHLTGXSA-N 430.500 5.744 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)ccc1OC(=O)c1ccccc1 1875182331 XUWVXLDIJYFTBW-PKNBQFBNSA-N 436.891 5.781 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3Cl)cc2)cc1C 1875187222 UVCQIVCBLAINTH-JLHYYAGUSA-N 434.919 6.010 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3F)cc2)c2ccccc12 1875190127 HBBITMKVSGMJCH-RIYZIHGNSA-N 444.433 6.242 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)[C@@H]1C1CC1 1880354592 VNBGSGBHOIQDIT-CPJSRVTESA-N 441.572 5.105 30 10 IKEE O=C(c1ccc(C(F)(F)F)cc1C(F)(F)F)N1CCC(Oc2ccccc2F)CC1 1890132736 KRRAFDMCSDSLBS-UHFFFAOYSA-N 435.339 5.547 30 10 IKEE C=C1CCC(C[C@@H](CCCN(Cc2ccccc2)C(=O)OC(C)(C)C)NCCC)CC1 1915249864 GCKMCQBAVZJSIA-RUZDIDTESA-N 428.661 6.709 30 10 IKEE C=CCC1(NCc2cccc(Br)c2Cl)CCN(C(=O)OC(C)(C)C)CC1 1924522955 DOFJBDPVROOWKZ-UHFFFAOYSA-N 443.813 5.538 30 10 IKEE CC(C)(C)OC(=O)NCC[C@@H]1CCC[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C1 1950516409 NOTVPJMLOFQESP-YWZLYKJASA-N 449.514 5.153 30 10 IKEE CC(C)(C)OC(=O)N(CCNc1cccc(Br)c1C#N)OCc1ccccc1 1955809271 UOFVQOZVAAFQRQ-UHFFFAOYSA-N 446.345 5.102 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCC1)[C@H](C#N)[C@]1(C)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2022145410 RRSUUCQQXMMMFT-KOSHJBKYSA-N 435.609 5.484 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCC[C@@H]1NC(=O)OC(C)(C)C 2031458885 OKVFLVJKSICLGS-YADARESESA-N 445.560 5.166 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CC[C@H](CCNC(=O)OC(C)(C)C)C2)cc1 2037233695 VGPZMOONJSVDEN-KBMIEXCESA-N 443.588 5.714 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)[C@@H](C)CN(Cc3ccccc3)C[C@H]2C)cc1 2037935582 LUVFPYUSXQPUMG-NEEULUBSSA-N 433.596 5.787 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@]1(O)CCC(C)(C)C[C@@H]1OCc1ccccc1 2043836729 KHNZQMOELWGSMU-UNCTUWKVSA-N 437.624 5.264 30 10 IKEE Cc1ccc([C@H](C2CC2)n2nc(C(C)(C)C)c(C#N)c2I)c(F)c1 2079100257 MTSDUJQLSLVPGR-INIZCTEOSA-N 437.300 5.104 30 10 IKEE Cc1ccc([C@H](n2nc(C3CCC3)c(C#N)c2I)C2(C)CC2)cc1F 2079127153 KEGDJXMEVOFCTA-SFHVURJKSA-N 449.311 5.464 30 10 IKEE CC1([C@@H](c2ccc(C3CCC3)cc2)n2nc(C3CC3)c(C=NO)c2Br)CC1 2079952229 FQVQLKDNQPDUTE-HXUWFJFHSA-N 428.374 5.988 30 10 IKEE CC1(c2nn([C@H](c3ccc(C(F)(F)F)c(F)c3)C3(C)CC3)c(Cl)c2C=NO)CC1 2080004529 BOCDVFCZBKEJPM-MRXNPFEDSA-N 429.845 5.944 30 10 IKEE CC(C)(C)c1nn([C@H](c2ccc(C(F)(F)F)c(F)c2)C2CC2)c(Br)c1C#N 2080042690 KAMGQXSARXVUNU-HNNXBMFYSA-N 444.270 5.972 30 10 IKEE CC(C)Oc1ccc([C@H](n2nc(C(F)F)c(C#N)c2Br)C(C)(C)C)cc1 2080068810 HZJZRGZJNYORJX-INIZCTEOSA-N 426.305 5.878 30 10 IKEE C=CCC1([C@@H](NC)c2cc(Cl)cc(Br)c2)CN(C(=O)OC(C)(C)C)C1 2081566282 ODIQJKYHGHCALW-INIZCTEOSA-N 429.786 5.176 30 10 IKEE C=C([C@@H](NCCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br)C(C)(C)C 2096634366 VEBILGLDEHEGDX-GOSISDBHSA-N 425.411 6.439 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@](C)(C#N)C1C[C@H]2[C@H](C1)C2(C)C 2149728794 LZPJVJAIQYDKNZ-PONJGIIJSA-N 433.390 6.155 30 10 IKEE C=CCN(CC[C@H](Cc1ccc(Br)c(F)c1F)NCC)C(=O)OC(C)(C)C 2155515880 DUZZVMHFGABRSP-OAHLLOKOSA-N 447.364 5.061 30 10 IKEE C[C@H]1CCCN(c2ccc(C#N)cc2Br)[C@@H]1CCCNC(=O)OC(C)(C)C 2174808312 MNBYXRXZMBVEEK-MAUKXSAKSA-N 436.394 5.231 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](CNc2ccc(C#N)cc2Br)[C@H]2CCCC[C@H]21 2179392438 IHCLZCVJANLXOX-FRQCXROJSA-N 434.378 5.158 30 10 IKEE CCc1ccc(NC(=O)OC(C)(C)C)c([C@H](O)C#Cc2ccccc2Br)c1 2235741645 VCACSRCVPBMNNE-HXUWFJFHSA-N 430.342 5.444 30 10 IKEE CCc1ccc(C#C[C@H](N)c2ccc(Br)cc2NC(=O)OC(C)(C)C)cc1 2239723806 DIRGWFPFMLCXNO-IBGZPJMESA-N 429.358 5.410 30 10 IKEE C=CCC[C@H](C)[C@H](NCCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248462008 AHUVRXCYPRLATC-GMAHTHKFSA-N 430.633 5.411 30 10 IKEE CCN[C@H](C#CC1CCCCC1)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2251406265 BIFPRVBFBZMIRW-DNQXCXABSA-N 428.617 5.048 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 2252599664 CKJWALDYJYLAKT-FOIQADDNSA-N 449.514 5.104 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cccc(Cl)c1Br 2272006369 KNWSMHCHCBHIAI-WMZOPIPTSA-N 445.829 6.003 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCC(=O)O)c1cc(Br)cc(C(C)C)c1 2291142991 HWFCBMPGBBVILU-JOCHJYFZSA-N 433.342 5.488 30 10 IKEE Cc1cc(C)c2nc(N3C(=O)C(=O)C(=C(O)c4ccco4)[C@@H]3c3ccc(F)cc3)sc2c1 2296098680 GXLJAAWPPLNJED-FQEVSTJZSA-N 448.475 5.272 30 10 IKEE CC(C)[C@H](CCNC(=O)OC(C)(C)C)CCC(=O)C#Cc1cccc(Br)c1 2296229517 KJLQTRWHNDEKAV-SFHVURJKSA-N 436.390 5.337 30 10 IKEE CCCN1C(=O)C(=Cc2cccc(OCC)c2O)SC1=Nc1ccc(OCC)cc1 2297462081 ZDCKDNINEZLETI-UHFFFAOYSA-N 426.538 5.204 30 10 IKEE C=CCN(C(=O)OC(C)(C)C)C1(C#N)CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 2307665868 KQABGWCDUKJSFX-IQJRZOLZSA-N 433.593 5.119 30 10 IKEE O=C1C(=Cc2cccn2-c2ccccc2)SC(=NCc2ccccc2)N1Cc1ccccc1 2313562610 ZEAHKDYFVSRCJH-UHFFFAOYSA-N 449.579 6.150 30 10 IKEE CC(=C1SC(=Nc2cccnc2Cl)N(C2CCCCC2)C1=O)c1ccc(Cl)cc1 2314539838 BVWOJQCKHTYBSP-UHFFFAOYSA-N 446.403 6.715 30 10 IKEE CN1C(=O)C(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=Nc1nccs1 2314542631 NKHBHPQXSRZRKY-UHFFFAOYSA-N 436.345 5.944 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccccc1OCC(C)C 2318574373 JTUHSXPAAVLHQT-UHFFFAOYSA-N 443.016 6.093 30 10 IKEE Cc1c(OCc2ccc(Cl)cc2)ccc2c1OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2321770868 TZMXJKQQFBPMBL-UHFFFAOYSA-N 445.729 7.150 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2C=CC(=O)c2ccc(F)cc2)c1 2322748633 LZCGFDHNWDPBBH-UHFFFAOYSA-N 437.898 6.010 30 10 IKEE O=C(C=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1)c1cccc2ccccc12 2323203280 PORFPMBLBVQRMS-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE CCOc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)cc1 2323378742 QMTYXWITSXZOTL-UHFFFAOYSA-N 437.879 6.122 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1 2323532852 AVHHMQUKNHBWFM-UHFFFAOYSA-N 434.963 7.166 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O)c1ccc(Cl)c([N+](=O)[O-])c1 2323701008 AQOLZVNYUCQXSU-UHFFFAOYSA-N 439.782 5.223 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Cl)c1OCc1cccc(C)c1 2323719518 AXUXGALXNSDRQO-UHFFFAOYSA-N 428.862 6.410 30 10 IKEE COc1ccccc1C=C1Oc2c(ccc(OC(=O)c3ccc(OC(C)C)cc3)c2C)C1=O 2323813663 OYBLXCMBCMVWOF-UHFFFAOYSA-N 444.483 5.626 30 10 IKEE CCCCCCCCNC(=O)[C@H](NC(=O)C=Cc1ccc(OCC)cc1)c1ccccc1 2323816200 RJNZKZQYEVCGSU-AREMUKBSSA-N 436.596 5.433 30 10 IKEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)c1 2323858037 VGIVIIXQSFJNNC-UHFFFAOYSA-N 430.431 5.534 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2Cl)cc1 2323943764 CVXKDBVDYVQJSS-UHFFFAOYSA-N 447.962 6.433 30 10 IKEE CCCOC(=O)COc1c(Cl)cc(C=CC(=O)c2cccc3ccccc23)cc1OC 2324124306 SCQVTCOZMIKPIC-UHFFFAOYSA-N 438.907 5.730 30 10 IKEE Cc1cc(OCCCOc2ccccc2)cc2c1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)O2 2324234655 KNMNKTLGYJBSOK-UHFFFAOYSA-N 431.444 5.367 30 10 IKEE CCCCCCOc1ccc2c(c1C)OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O 2324261974 FXHCFBXTGWSUID-UHFFFAOYSA-N 428.912 6.090 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)cc(OC)c1OCCC 2324331706 LHPPWGZWVGAWCI-UHFFFAOYSA-N 435.347 6.424 30 10 IKEE CCc1cccc(CC)c1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1ccc(C)o1)C2=O 2324381412 ORFALNGTCIFBMD-KRWDZBQOSA-N 445.515 5.735 30 10 IKEE Cc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1C)OC(=Cc1ccccc1Cl)C2=O 2324412860 YUKIEMOQBVAGQJ-KRWDZBQOSA-N 447.918 5.979 30 10 IKEE COc1cccc(C=C2Oc3cc(OCCCCOc4cccc(C)c4)ccc3C2=O)c1 2324570274 QENPLWVJYCUDRM-UHFFFAOYSA-N 430.500 5.858 30 10 IKEE Cc1ccc(OCCCCOc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1 2324585118 ICSQMEGIELDUES-UHFFFAOYSA-N 434.919 6.503 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccc5ccccc5c4)c3C)C2=O)cc1 2324961638 ZAQXBLSHTGWWTB-UHFFFAOYSA-N 449.506 6.090 30 10 IKEE COc1cc(C=C2Oc3cc(OCCc4ccc(C)cc4)ccc3C2=O)cc(OC)c1OC 2325367074 GFESFIYRFWPXMP-UHFFFAOYSA-N 446.499 5.259 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccc2c(c1)OC(=Cc1cccc(Cl)c1)C2=O 2325494518 MYIXCRNBIVJPLU-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE CCCOc1ccc(C=CC(=O)C(=O)Nc2ccc(OCC(C)C)cc2)cc1OCC 2325649007 KZVLXQYTYQSBMC-UHFFFAOYSA-N 425.525 5.130 30 10 IKEE COc1cccc(C(=O)Oc2cc(C=CC(=O)c3ccc4ccccc4c3)ccc2OC)c1 2325690278 GGTMSUKPEJDWRC-UHFFFAOYSA-N 438.479 5.972 30 10 IKEE Cc1cccc(C)c1OCC(=O)Oc1cccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)c1 2325690539 SIKAVISLLKZLTM-UHFFFAOYSA-N 431.444 5.092 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1OC(=O)c1ccccc1OC 2325701175 KECKNSBFMWLVMK-UHFFFAOYSA-N 442.511 5.698 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2cccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 2325722249 JUKCPEFEYJGNNP-UHFFFAOYSA-N 445.471 5.564 30 10 IKEE COc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2sccc2C)C3=O)cc1 2325731933 SITUILJAIYFBTF-UHFFFAOYSA-N 435.501 5.007 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(Br)cc3)c2)c1 2325740331 AZUOYMCASUOTLW-UHFFFAOYSA-N 449.344 6.110 30 10 IKEE COc1ccc(C=CC(=O)c2cccc3ccccc23)cc1OC(=O)c1sccc1C 2325749237 YNXVJLWCDFPHQI-UHFFFAOYSA-N 428.509 6.334 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(Cl)cc3)c2)c(C)c1C 2325755532 XPXBAWUSSHXIOR-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1ccccc1C 2325941271 GKOCARWJMZVVAY-UHFFFAOYSA-N 441.398 5.490 30 10 IKEE CCOc1ccc2ccccc2c1C=Nn1cnnc1SCc1ccc(C(C)(C)C)cc1 2326315351 ZYARYHMKVORSLS-UHFFFAOYSA-N 444.604 6.302 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1c(C)n(C)c2ccccc12 2326358309 QRUUVWXXRIRWJN-UHFFFAOYSA-N 438.000 5.859 30 10 IKEE COc1ccc(C=Nn2c(C)nnc2SCc2cccc(Cl)c2)c(Cl)c1OC 2326467631 LRVSZIBMSANBSJ-UHFFFAOYSA-N 437.352 5.085 30 10 IKEE CCCSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1cccc(Cl)c1 2327386066 DXTVCTITWKLPMX-UHFFFAOYSA-N 428.989 5.847 30 10 IKEE CCSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1c(OC)ccc2ccccc12 2328940895 QZGLYQSGISTDHE-UHFFFAOYSA-N 444.604 5.836 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SC)nnc2[C@@H](C)c2ccccc2)cc1OC 2330048794 DYUMGNPXYIWJOV-SFHVURJKSA-N 438.597 5.612 30 10 IKEE Cc1cccc(CSc2nnc(CC3CCCCC3)n2N=Cc2ccc(C(=O)O)cc2)c1 2330246239 VZYOHHKLMYRCQC-UHFFFAOYSA-N 448.592 5.582 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1cccc(C)c1 2330695669 QLVRAPWZRITWGN-UHFFFAOYSA-N 440.539 6.388 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)C(F)(F)F)c(OC)c2)cc1 2330824220 IOVIATYJYVHNIP-UHFFFAOYSA-N 440.845 6.055 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3ccncc3)c(OC)c2)cc1 2330826060 MUWRGFUPAWZSGV-UHFFFAOYSA-N 445.515 5.557 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3cccc(F)c3)c(OC)c2)cc1 2330951330 QRWNMUVFTXCGIP-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2Cl)cc1C 2331020409 DTNMJIFKEYEVCQ-UHFFFAOYSA-N 449.890 5.909 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CCC)c(Cl)c2)cc1OCCC 2331109633 IBCCMYQFWJPLID-UHFFFAOYSA-N 444.955 6.519 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3C)c(Cl)c2)cc1 2331195467 BBAYGHPZPCGJBA-UHFFFAOYSA-N 448.946 6.481 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)C3CCC3)c(Br)c2)cc1 2331198746 NJZPFSWPXYXNIK-UHFFFAOYSA-N 429.310 5.449 30 10 IKEE Cc1ccc(C)c(CSc2nnc(-c3ccco3)n2N=Cc2ccc(N(C)C)cc2)c1 2331208374 AFZDJFGNKFHHIT-UHFFFAOYSA-N 431.565 5.395 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C2CCCC2)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 2331245611 BTOPNLKXACEDGN-UHFFFAOYSA-N 434.275 5.893 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)c1ccccn1 2331499957 JAMOSYMQAAKBLB-UHFFFAOYSA-N 449.934 6.372 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc3cc(Cl)ccc3n2)cc1)c1ccc(F)cc1 2331517505 FCYXKMZBYIFYLH-UHFFFAOYSA-N 431.850 6.143 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)c1ccncc1 2331630088 HMKIDXPHWPMIEA-UHFFFAOYSA-N 431.488 5.221 30 10 IKEE CCOc1c(C=Nn2c(SCc3cc(C)ccc3C)nnc2C(C)C)cccc1OC 2331701522 LXDIQITVFUHYPD-UHFFFAOYSA-N 438.597 5.600 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)cc(Cl)c1OC(=O)C(C)C 2331860937 LDPISMUXKYNVPA-UHFFFAOYSA-N 441.738 6.503 30 10 IKEE CC#CCN(C[C@H](NCCC)c1cc(Cl)c(Cl)cc1Cl)C(=O)OC(C)(C)C 2363133044 PHKXTWSHRBLEEC-SFHVURJKSA-N 433.807 5.948 30 10 IKEE Cc1cc(Br)sc1CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2365067973 LMQYNNXTWXZYLI-CMDGGOBGSA-N 435.196 5.471 30 10 IKEE CCc1nc(Oc2ccc(Br)c(NC(=O)OC(C)(C)C)c2)c(C#N)cc1C 2370357210 NJVRSOFFLWCOOZ-UHFFFAOYSA-N 432.318 5.726 30 10 IKEE C[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(OCc4ccccc4)cc3)c2C#N)C1 1925708 LINCDTKRWVCFPQ-PMXLPMHFSA-N 428.557 5.975 30 10 IKEE O=C1C2=C(Nc3ccccc3S[C@@H]2c2cc(Br)ccc2O)c2ccccc21 2425075 VFJMXKOFQDLUGL-JOCHJYFZSA-N 436.330 6.021 30 10 IKEE CC1=CC(=O)C(=O)C2=C1O[C@]1(C2)[C@H](C)CC[C@H]2[C@]1(C)CC[C@H]1C(C)(C)[C@@H](O)CC[C@]12C 5707394 LLWMPGSQZXZZAE-PIWOKPEGSA-N 426.597 5.147 30 10 IKEE biogenic CC1(C)C[C@](C)(c2ccccc2)c2cccc3c2N1C(=O)/C3=N\c1ccc(Cl)c(Cl)c1 8623814 NKVBMEVULBJSKQ-MIGQBWSYSA-N 449.381 6.949 30 10 IKEE Cc1ccc(/N=C2\S[C@H](CC(=O)c3ccc(C)cc3)C(=O)N2c2ccc(C)cc2)cc1 15055104 DDCPFLOQKZCUJM-IHZKLZTASA-N 428.557 6.021 30 10 IKEE CCOc1ccc(/C=C2\CC(c3ccccc3)C/C(=C\c3ccc(OCC)cc3)C2=O)cc1 20115602 ICAQDXGMJMSGTE-BFNWXZRRSA-N 438.567 7.098 30 10 IKEE COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(O)c2)c1 20885927 SUFALLPTWOQKNW-XGCWNURASA-N 442.515 5.389 30 10 IKEE COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)cc1O 21220755 QSKLVSSAEVUZSJ-QUGAMOGWSA-N 430.479 5.519 30 10 IKEE COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(SC)cc1 21240274 OJWAGNAQTDWKRM-XRHLQHRESA-N 442.584 6.397 30 10 IKEE COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(F)cc2)c1 21259622 YTQILNWGOWTVSW-CRYYWNKWSA-N 444.506 5.822 30 10 IKEE O=C(/C=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccc(-c2ccc(F)cc2)o1 33568000 OFYDXLOUQCPNEP-CSKARUKUSA-N 426.365 7.261 30 10 IKEE C=CCc1ccccc1OCCn1c(CCCCCNC(=O)CCC)nc2ccccc21 40211277 JPOFDCIOFOUCPV-UHFFFAOYSA-N 433.596 5.473 30 10 IKEE N#Cc1ccc(NCc2cc(Br)c(Br)o2)c(Br)c1 50360132 HYLMPNUZZALSCQ-UHFFFAOYSA-N 434.913 5.051 30 10 IKEE Cc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3)c2c1 65034383 WFDGQIUYXHFOGB-UHFFFAOYSA-N 438.453 5.289 30 10 IKEE COc1ccc(C(=O)/C=C\c2c(C)nn(Cc3cccc4ccccc34)c2Cl)cc1OC 96766943 WLYKLGGSGVHJDK-SEYXRHQNSA-N 446.934 5.960 30 10 IKEE CCCCCCCCOc1ccc(/C=C2/N=C(c3cc(Cl)ccc3OC)OC2=O)cc1 97997920 VDWQILURVVPFFS-CJLVFECKSA-N 441.955 6.432 30 10 IKEE CCCCCCCCCCc1ccc2oc(-c3cc(O)c(O)c(O)c3)c(O)c(=O)c2c1 100302219 MKTRIIHRGVZJBK-UHFFFAOYSA-N 426.509 5.966 30 10 IKEE CCOC(=O)N1CCN(C2=C(/C=N/c3ccccc3)CC/C2=C\Nc2ccccc2)CC1 100342044 LJJCVHFNCVEXHX-QGFLBYHTSA-N 430.552 5.207 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(Nc2cccnc2)c1N 101531481 DZTDZAKAVOOFOS-UHFFFAOYSA-N 426.653 7.091 30 10 IKEE CCOC(=O)c1ccc(NC(=S)N2/C(=N\c3ccc(Cl)cc3)SC[C@@H]2CC)cc1 102909267 QGCYUXZZCQTEAX-QAYQYMSWSA-N 448.013 5.729 30 10 IKEE CCCCCCCOc1ccccc1/C=N\n1c(COc2ccccc2)nnc1SC 169916502 GCMJAOIEYLAXOS-BWAHOGKJSA-N 438.597 5.810 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccc(OC)cc2)cc1 169925096 LTSBYLQBUJSCLO-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCCN1C(=S)N[C@H](c2ccc(OCc3ccc(Cl)cc3)cc2)C(C(C)=O)=C1C 169930165 REFJKFHIBFDXMQ-JOCHJYFZSA-N 428.985 5.423 30 10 IKEE CCN1C(=S)N[C@@H](c2ccccc2OCc2ccc(Cl)c(Cl)c2)C(C(C)=O)=C1C 169933432 YKBGGQKIPZCBIR-NRFANRHFSA-N 449.403 5.687 30 10 IKEE CCCCCCCCCOc1ccc([C@@H]2NC(=S)N(C)C3=C2C(=O)CCC3)cc1Cl 169936937 DLKHQHACSWCJOR-QHCPKHFHSA-N 449.060 6.338 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccs1 169984652 NSEQGTMCDNHIGY-OAQYLSRUSA-N 449.915 6.239 30 10 IKEE CCCCCCCCCCN1C(=O)C(SCc2ccco2)=C(c2ccc(F)cc2)C1=O 169985786 PBMMTYLRPVOOCC-UHFFFAOYSA-N 443.584 6.573 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2ccccc2)cc1C 170052256 XEGYMEOOXXYURM-QHCPKHFHSA-N 431.919 6.048 30 10 IKEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(Cl)cc1 170056896 VKQVNFIHYAWNHV-JOCHJYFZSA-N 437.948 5.499 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@@H]2c2ccco2)ccc1F 170090821 SQYQVWSABCKERC-JOCHJYFZSA-N 433.479 5.808 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1ccc(Cl)cc1 170106628 BGTLYRXKPNADJW-GOSISDBHSA-N 444.339 6.146 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1CCCOC(C)C 170107794 UQUZHDJRXVYRBH-QFIPXVFZSA-N 449.572 5.603 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@@H]1c1cccc(C)c1 170147357 KRPZSSXKLJCTFH-QFIPXVFZSA-N 441.955 5.816 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2cccs2)cc1OC 170157997 ILMAWCQSPDHAOD-QFIPXVFZSA-N 449.528 5.165 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1cccs1 170162168 OEBQKWQAJYYSOM-DYESRHJHSA-N 439.577 5.111 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1ccccn1 170176396 VNOKPAPOQAVXNC-QFIPXVFZSA-N 444.874 5.573 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1ccncc1)c1cccc2ccccc12 170207062 HLMLVTWBKYQRHI-QHCPKHFHSA-N 442.421 5.296 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@@H]1c1cccc2ccccc12 170220784 KQTZIPYSCXDOSE-QHCPKHFHSA-N 449.934 5.880 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccccc1)c1cc2ccccc2o1 170223058 LBLZSIYXQNGFCO-JOCHJYFZSA-N 431.394 5.494 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(Cl)cc1 170236954 TYCMXVILLFYGEA-OAQYLSRUSA-N 439.939 5.486 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc(F)cc1 170238305 BODDAFUSQBMXPV-JOCHJYFZSA-N 435.426 5.065 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cccc(O)c1)c1ccc(Cl)c(Cl)c1 170264317 BDTOXQQBHPODIU-IBGZPJMESA-N 432.303 5.220 30 10 IKEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccco2)c1 170279069 GIMCCSDBRXWHNL-XMMPIXPASA-N 439.467 5.614 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C(C)(C)C)ccc3C)[C@@H]2c2ccco2)cc1 170287696 IKECLHXHTCZICW-QHCPKHFHSA-N 429.516 5.977 30 10 IKEE Cc1cc2sc(N3C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]3c3cccs3)nc2cc1Cl 170478533 UBOPMPLWZWBKJP-MRXNPFEDSA-N 446.981 5.835 30 10 IKEE C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C/c1ccc(OC(F)F)cc1)C2=O 252512661 UILXPFRZQGQVFT-NAKRFZHQSA-N 442.546 6.174 30 10 IKEE C=CCn1c(SCCC(=O)Nc2ccccc2C)nnc1-c1ccc2ccccc2c1 253579053 ZDFHMWJUMVADMG-UHFFFAOYSA-N 428.561 5.714 30 10 IKEE CCN(CC)c1ccc(/C=C2\SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc1 254444410 OGHFRPVDZHCOGX-VDJURDQESA-N 427.573 6.341 30 10 IKEE COc1cc([C@H]2CC(=O)N(c3ccccc3)C(=Nc3ccccc3)S2)cc(OC)c1OC 254625301 PCIGBRMWJUUTNV-JOCHJYFZSA-N 448.544 5.611 30 10 IKEE Oc1c(C=NNc2ncnc3scc(-c4ccccc4)c23)cc2c3c1CCCN3CCC2 254924531 NSBBHYXZLSLVGW-UHFFFAOYSA-N 441.560 5.209 30 10 IKEE CCN(CC)c1ccc2c(c1)O[C@@H]1CC(=[N+](CC)CC)CC[C@H]1[C@@H]2c1ccccc1C(=O)O 504643099 HNBUJSWRNUREIK-ZRJLEYOISA-O 449.615 5.417 30 10 IKEE COC(=O)c1ccc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526487872 GVQBXRGQTHASML-QFIPXVFZSA-N 444.874 5.055 30 10 IKEE CCOc1cc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccc(F)c2)ccc1OC 526516854 SEWSSAMSBHLAEC-DEOSSOPVSA-N 444.462 5.162 30 10 IKEE CCOc1ccc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1OCC 526517000 QVVFEOXIQRRPDP-HSZRJFAPSA-N 446.528 5.474 30 10 IKEE CCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1cccc(C(F)(F)F)c1 526805653 MUMFJVOTWZMKIX-VYYCAZPPSA-N 446.542 6.331 30 10 IKEE Cc1ccccc1/C=N\n1c(Cc2ccccc2)nnc1SCc1ccc(Cl)cc1 526808161 JYBFBZDNEFFIAO-QQXSKIMKSA-N 432.980 6.005 30 10 IKEE CCCCc1nnc(SCc2ccc(Br)cc2)n1/N=C\c1sccc1C 526821041 XPJYUYMKKUMXAS-MTJSOVHGSA-N 449.443 5.928 30 10 IKEE CCCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1/N=C\c1ccc(CC)cc1 526827880 MFKBDDMMHRVNAT-XYGWBWBKSA-N 436.581 5.144 30 10 IKEE N#Cc1ccc(C(=O)N2CCC3(CC2)CN(c2cccc(F)c2)[C@@H]3c2ccccc2)cc1 575317281 IMTWGQHVJFBHJF-RUZDIDTESA-N 425.507 5.181 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@H](C#N)c1cccc(Br)c1F 698878625 ZMTPGCPGKXONSQ-OAHLLOKOSA-N 425.323 5.652 30 10 IKEE C=C(C)C[C@@H](NCCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 708565141 WUVVLDWOHVTAKW-RTBURBONSA-N 425.411 5.219 30 10 IKEE Cc1ccc(-c2csc(NN=Cc3ccc(OC(=O)c4ccc(F)cc4)cc3)n2)cc1 1081086779 JWJOFZQLCLLPQF-UHFFFAOYSA-N 431.492 5.923 30 10 IKEE COc1ccc(/C=C2/C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cc1OC 1084420369 IXKJEQQDDXKZRU-JAUIHUTBSA-N 436.592 5.590 30 10 IKEE O=C1C(=NN(c2ccccc2)c2ccccc2)c2ccccc2N1C/C=C\c1ccccc1 1084559333 SNSVMOINPWECOM-XGRUMDQFSA-N 429.523 6.289 30 10 IKEE C[C@@H]1CCCC[C@@H]1N/C(=N/CCCn1ccnc1)Nc1cc(-c2ccccc2)ccc1O 1088709919 GFXOOLBOZVVHRB-OFNKIYASSA-N 431.584 5.282 30 10 IKEE COc1ccccc1/C=N\N=C1/S/C(=C\C=C\c2ccccc2)C(=O)N1Cc1ccco1 1554646810 PCVGKOUSEUWJMM-BHVNPOJVSA-N 443.528 5.351 30 10 IKEE C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N(C)CCc1nccs1 1593666783 YGIFICBREQZPSA-UHFFFAOYSA-N 425.602 5.000 30 10 IKEE C/C(=C1/SC(=Nc2cccnc2Cl)N(c2ccccc2)C1=O)c1ccc(Cl)cc1 1772736055 WWFJGRCBQXPHME-OQZKWKKUSA-N 440.355 6.587 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2)SC(=NN=C/C=C\c2ccccc2)N1Cc1ccco1 1772759803 ZGPZFRDXCGXEPQ-BZIISIABSA-N 447.947 6.105 30 10 IKEE CC(C)COc1ccccc1C(=O)Nc1ccc(CC(=O)Nc2ccccc2C#N)cc1 1859130853 OFUDHFUTBBSSMR-UHFFFAOYSA-N 427.504 5.027 30 10 IKEE CCCCCCCCCNC(=O)[C@H](C)Oc1cc2oc(=O)cc(CCC)c2cc1Cl 1860267277 MULGDUHJPGFDIO-KRWDZBQOSA-N 435.992 6.033 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)[C@@H](C)Oc1ccccc1C(C)C 1861659751 UPRZAFPKDYGVKZ-AJTFRIOCSA-N 446.676 6.119 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)/C=C/c1ccc(C(=O)OC)cc1 1861763494 KTCQCLIUGVXITG-WNLUNTPQSA-N 444.616 5.028 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1c(Cl)cccc1Cl 1862405374 BXEYJTZZBPVVPX-XCLFUZPHSA-N 448.346 5.687 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1cccc(OCCC)c1 1862418038 DTJSSRYSGPWHPO-NRFANRHFSA-N 429.463 5.132 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(O)c1 1862443401 PCRAUYUNLBKEON-RFVSGWPVSA-N 425.912 5.203 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(OC)c1 1862445261 RLSIDTQBNZEOQX-OAQYLSRUSA-N 427.928 5.507 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2CCC(C)C)c1 1862459455 JBFWMLDIRQKTGW-OAQYLSRUSA-N 447.453 5.127 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(CC)cc1 1862474604 PSZVBCXQGZSGOU-UKILVPOCSA-N 433.592 6.495 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@@H]2c2ccc(O)cc2)c1 1862489588 CUWCGDSZKDIXRR-HSZRJFAPSA-N 447.918 5.441 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)c1 1862501676 IGCGFCVFSRIPDF-LDLFBNOTSA-N 437.511 5.300 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2cccc(C)c2)cc1 1862533403 MEEIQYQHAJIQLW-AREMUKBSSA-N 439.555 5.953 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc2cc[nH]c2c1 1862560255 GBYNBCNJLVZTTP-XMMPIXPASA-N 445.563 5.689 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(Cl)c(Cl)c1 1862597842 NAMYNIFSEZNPOL-LJQANCHMSA-N 434.319 5.468 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 1862661639 WYGPOEBFNBVYSK-XMMPIXPASA-N 426.516 5.292 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCc3cnc[nH]3)[C@@H]2c2cccc(Cl)c2)cc1 1862661764 RXFVATCUQAEPQR-JOCHJYFZSA-N 449.938 5.008 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 1862666234 ZCSDUJMAQMNDTH-JOCHJYFZSA-N 434.492 5.239 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2c(Cl)cccc2Cl)c1 1862705801 HEYHCKJDAJXGLP-LJQANCHMSA-N 434.319 5.236 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc(F)cc1)c1ccc2ccccc2c1 1862715515 OKDXSPPNFLCCAN-VWLOTQADSA-N 437.470 5.757 30 10 IKEE Cc1ccccc1NC1=C(c2cccc3ccccc23)C(=O)N(c2cccc(C#N)c2)C1=O 1862850745 ZATKGPBAOABEAM-UHFFFAOYSA-N 429.479 5.417 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3c[nH]c4ccccc34)C2=O)c1 1863123184 YHGDYZUUXUGZRC-UHFFFAOYSA-N 432.483 5.053 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](CCCC)NC(=O)c1ccc2oc(-c3ccc(C)cc3)nc2c1 1868788771 PHWJRIRAJQZMSO-JOCHJYFZSA-N 445.563 5.292 30 10 IKEE C=CCn1cc(OCCCCOc2ccccc2)c(=O)cc1CSc1ccc(C)cc1 1870222726 LJQZMLTWHMKOTG-UHFFFAOYSA-N 435.589 5.873 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCCCOc2ccc(C)cc2)cn1CCCC 1870319336 KPWYWJUNYGAEAR-UHFFFAOYSA-N 438.612 5.369 30 10 IKEE C=CCOc1cn(Cc2ccccc2Cl)c(CNc2ccc(F)c(Cl)c2)cc1=O 1870810277 VRCBOIPDSZLXRK-UHFFFAOYSA-N 433.310 5.519 30 10 IKEE CCCCCCCOc1cn(CCCOCC)c(CNc2ccc(Cl)c(C)c2)cc1=O 1870830074 ALMJBTFXNPJWNQ-UHFFFAOYSA-N 449.035 6.198 30 10 IKEE C=CCn1cc(OCCOc2cccc3ccccc23)c(=O)cc1CNc1ccccc1C 1871040139 HNLYEBVPYUEFTE-UHFFFAOYSA-N 440.543 5.566 30 10 IKEE CCCCCCCCCCn1cc(OCCC)c(=O)cc1CNc1ccc(C)c(C)c1 1871105938 HLMCZPQOLWEJEP-UHFFFAOYSA-N 426.645 7.007 30 10 IKEE CCCCCCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccccc1OC)C3=O 1871348420 DTCWHGZXZRAATB-JLPGSUDCSA-N 435.564 6.132 30 10 IKEE Cc1ccc(C)c(CN2COc3cc(C)c4c(c3C2)O/C(=C\C=C\c2ccccc2)C4=O)c1 1871349669 WVFRHESNENKFGW-BDUSHXLBSA-N 437.539 6.136 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc([N+](=O)[O-])cc1)C3=O)CN([C@@H]1CCCC[C@H]1C)CO2 1871356225 ZUKXCNBBOYRBHU-CGNRGHMUSA-N 434.492 5.250 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(CC)cc2)C3=O)c1 1871387981 RMCBEDDVFKGIQU-XYGWBWBKSA-N 442.511 6.182 30 10 IKEE CC(C)c1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCc4ccccc4C3)C2=O)cc1 1871394575 FFLZHYOKPFGDSE-YSMPRRRNSA-N 425.528 5.690 30 10 IKEE CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O 1871402820 NJFGKZUTJYYIAE-SGMWPGOQSA-N 447.462 5.247 30 10 IKEE COc1ccccc1/C=C1\Oc2cc(OCCCCOc3cccc(C)c3)cc(C)c2C1=O 1871403765 YTMFHFSQXGDLIM-ONUIUJJFSA-N 444.527 6.166 30 10 IKEE CCCCCCCCCOc1ccc2c(=O)c(-c3ccc4c(c3)OCCCO4)coc2c1 1871429622 LHSJFGZYBQUJBD-UHFFFAOYSA-N 436.548 6.751 30 10 IKEE Cc1ccc(NC(=O)CCOc2ccc3c(c2C)O/C(=C\c2ccccc2C)C3=O)cc1 1871432352 GAIHDJIYLQRQAY-JLPGSUDCSA-N 427.500 5.636 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4c(C)cccc4C)c3C)C2=O)cc1 1871440398 MWWZHNJPSQPJSB-UCQKPKSFSA-N 427.500 5.554 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C(C)C)cc1)[C@@H](C)CC)S(=O)(=O)c1cccs1 1871851162 LSHYUWDADJXWFV-PGRDOPGGSA-N 448.654 5.492 30 10 IKEE COc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3cccs3)cs2)c(C(C)(C)C)c1 1872774534 ULEOUBZHJMHENV-OAHLLOKOSA-N 426.563 5.433 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-c4ccccc4)cc3)n2)cc1F 1872774830 CTNSKCXELSSELD-HXUWFJFHSA-N 428.488 6.115 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@@H](C#N)C(=O)Cc2ccccc2Cl)n1 1872784166 PEDXKBSAFJDIQA-HNNXBMFYSA-N 431.344 5.853 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2Cl)C(=O)N(CCC2=CCCCC2)C1=O 1873032011 HENZHJKAEKPERS-UHFFFAOYSA-N 443.031 6.261 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2cccs2)=C(c2ccccc2C)C1=O 1873100747 PAVDIBLNHJIQHZ-UHFFFAOYSA-N 438.637 6.067 30 10 IKEE N#Cc1ccc(NC2=C(c3ccc(-c4ccccc4)cc3)C(=O)N(C3CCCC3)C2=O)cc1 1873275100 QWDUZTFBRRCDAW-UHFFFAOYSA-N 433.511 5.360 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1cccc(Cl)c1 1874223915 KBYHSVIMRBOYED-KOEQRZSOSA-N 441.000 5.666 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccc(C)c(C)c3)n2/N=C/c2cccn2C)c1 1874331034 QTFCKJZIIAJXLO-WPWMEQJKSA-N 443.620 5.502 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2Cl)c1 1874366958 CWHOFVQVIZKMDP-MFKUBSTISA-N 434.952 5.782 30 10 IKEE CC(C)c1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SCc2ccccc2)cc1 1874375971 XQSWBOLRHVTRGM-OGLMXYFKSA-N 444.579 6.306 30 10 IKEE COc1cc(/C=N/n2c(SCc3cccc(F)c3)nnc2-c2cccs2)ccc1O 1874421508 OYOIEPHDSXWDRS-FSJBWODESA-N 440.525 5.034 30 10 IKEE Clc1ccccc1/C=N/n1c(SCc2ccccc2Cl)nnc1C1CCCC1 1874455875 OFWMLGWRBAHSQE-ZMOGYAJESA-N 431.392 6.417 30 10 IKEE CCc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1/N=C/c1ccc(C)cc1 1874464623 UAKUHEGSATYVJP-MFKUBSTISA-N 445.548 5.022 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(C(=O)O)cc1 1874484630 FQLJTCJQDKQQCZ-CVKSISIWSA-N 444.560 5.602 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C(C)(C)C)cc1 1874485616 FOESNDKANXTTPV-WYMPLXKRSA-N 433.408 6.365 30 10 IKEE CCCOc1c(/C=N/n2c(CC(C)C)nnc2SCc2ccccc2)cccc1OC 1874489617 ASOVHQRTDCMWFK-PCLIKHOPSA-N 438.597 5.449 30 10 IKEE CCCc1nnc(SCc2ccccc2C)n1/N=C/c1cc(Br)ccc1F 1874505278 UMHYOCWRPZTAGY-FSJBWODESA-N 447.377 5.615 30 10 IKEE Cc1ccccc1COc1ccc(/C=N/n2cnnc2SCc2ccccc2F)cc1 1874538446 FXEOUGJNHDWHAW-MZJWZYIUSA-N 432.524 5.479 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)cc1OC 1874572944 NISRMYDSYDKOJA-BJMVGYQFSA-N 426.871 5.971 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2ccc([N+](=O)[O-])cc2)c(C)c1C 1874586333 JBRXLJMGLYIZJW-GXDHUFHOSA-N 447.487 5.704 30 10 IKEE CCc1ccc(NC(=O)COc2cccc(/C=C/C(=O)c3ccc(C(C)C)cc3)c2)cc1 1874597927 LHUDBGZUKPHSMC-LICLKQGHSA-N 427.544 6.286 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)cc1 1874608233 CPBBSBNBAWJMHC-LFYBBSHMSA-N 426.871 5.971 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 1874610960 UOYOOPUSHXFXDU-QDEBKDIKSA-N 428.271 6.377 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OCC(=O)NC1CCCCC1 1874616857 WVGIQIGXXAHIEA-DTQAZKPQSA-N 447.575 5.456 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OCc1cc(C)ccc1C 1874623145 OFLYLPZFLPBKMN-MDWZMJQESA-N 448.990 7.564 30 10 IKEE C=CCOc1ccc(/C=C/C(=O)c2ccc(OCC)cc2OCC)cc1Br 1874631912 AVUTYSMDAPDBEM-YRNVUSSQSA-N 431.326 5.707 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OCc3c(F)cccc3Cl)c(Cl)c2)c(C)c1 1874634011 HMKXWFKKVIXUJY-VQHVLOKHSA-N 443.345 7.533 30 10 IKEE CCCCCCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(C)c1C 1874690171 FOKJHKYAWAEXIS-AREMUKBSSA-N 447.623 6.201 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cccc4ccccc34)c2)cc1F 1874707165 RPRQIXXNHIVHCU-WYMLVPIESA-N 426.443 6.103 30 10 IKEE O=C(COc1cc(F)ccc1F)Oc1cccc(/C=C/C(=O)c2cccc3ccccc23)c1 1874708278 UXAWPEXRKCFRGX-SDNWHVSQSA-N 444.433 5.999 30 10 IKEE Cc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(F)cc3)c2)c(C(C)(C)C)c1 1874708771 UCBJNSHJVQHVDN-NTEUORMPSA-N 446.518 6.312 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2F)c(Cl)c1)c1ccc2ccccc2c1 1875096253 FBMPMZRIWYEAPR-UKTHLTGXSA-N 430.862 6.748 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1Cl)c1cccc(F)c1 1875104564 DDQLCZHZTXPCJA-XBXARRHUSA-N 449.692 6.901 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cc(C)ccc3C)cc2)cc1 1875105590 CKQAUACPNWLTEJ-QGOAFFKASA-N 426.556 6.690 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)c(F)c2F)c([N+](=O)[O-])c1)c1ccccc1 1875127266 VZWCQWHEKXRYPH-UXBLZVDNSA-N 427.334 5.127 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC(=O)CCc1ccccc1 1875145303 KFLJHCRTUNLRSC-SDNWHVSQSA-N 444.527 5.837 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc(Cl)c1OC(=O)C1CCCC1 1875151903 IEFXCPMXMZPPTJ-CSKARUKUSA-N 446.902 5.878 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)COc2ccccc2)cc1 1875161263 IARWWBWKDKZYQB-FOWTUZBSSA-N 444.527 5.873 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@](C)(C#N)C(C)(C)C(F)(F)F 1878631561 CJTJDSGZKQUPKK-KRWDZBQOSA-N 435.284 6.061 30 10 IKEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 1890532670 LSSGNTVLLDEBHX-UHFFFAOYSA-N 447.347 5.437 30 10 IKEE C=C(COCc1ccccc1)[C@@H](N)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 1922079140 CFVDOHHHLZSUOT-XMMPIXPASA-N 436.596 5.056 30 10 IKEE C=CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(Br)ccc1Br 1927790311 PZZSSMCHIHUEAZ-CQSZACIVSA-N 430.140 5.199 30 10 IKEE CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1931194548 QOLNLHUHNDOJDH-SFTDATJTSA-N 445.604 5.503 30 10 IKEE CCCCCCCC[C@H](NCCC)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1946537099 AXRAYCOPHILFBB-BJKOFHAPSA-N 434.665 6.215 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@]1(C#N)CC(C)(C)[C@@H]1OCc1ccccc1 1950403683 SEFPVPQMUPAEEV-OFVILXPXSA-N 440.971 6.359 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@@H]1[C@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C)NCCC 2007959574 XFMQEFZXAYMPMV-NEWJYFPISA-N 428.617 5.306 30 10 IKEE C=C(Br)CN(C)C(=O)c1cc(Cl)c(NC(=O)OC(C)(C)C)c(Cl)c1 2010361141 GLROLDDVHOGQAD-UHFFFAOYSA-N 438.149 5.321 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@H](C#N)[C@]1(C)CCCN1C(=O)OC(C)(C)C 2020807460 VYFLJGNISRVXGN-CYFREDJKSA-N 435.609 5.628 30 10 IKEE CC(C)(C)OC(=O)NC1CCC([C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccccc2)CC1 2027940860 PKNTZFBCNHAYFI-ZPHNUYGRSA-N 443.588 5.794 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NC)c1ccc(Cl)c(Br)c1F 2035952946 GGKTVFVYUBKCQW-XJKSGUPXSA-N 435.765 5.362 30 10 IKEE CC[C@@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)CN1C(=O)OC(C)(C)C 2040670847 LPZKZPLXPHPPKP-HOYKHHGWSA-N 447.551 5.639 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2042146447 FKCJHHRUQYKPNJ-CZKAHXPPSA-N 447.551 5.352 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Br)c1Cl)NCC 2047977102 SJUWIALJOUSSKT-HZPDHXFCSA-N 431.802 5.093 30 10 IKEE C#CC[C@H](C[C@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1)C1CC1 2076108085 UXQQALSOPBRCGQ-GATIMQMVSA-N 442.644 5.293 30 10 IKEE Cc1cc(C)c([C@@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C2(C)CC2)c(C)c1 2080054436 QAAMFKMADINXKI-LJQANCHMSA-N 430.390 5.820 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@]21CNc1ccc(C#N)c(Br)c1F 2162326460 HJMWWXWTGRFGOG-VLIAUNLRSA-N 438.341 5.051 30 10 IKEE CC(C)(C)OC(=O)NC1CCC2(CC1)CC(C#N)(Nc1cccc(Br)c1)C2 2176714837 RZEYEQWWXQDVEH-UHFFFAOYSA-N 434.378 5.371 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@H](C#N)c1c(F)ccc(Br)c1F 2209378898 IXLGYWSESLXMIY-INIZCTEOSA-N 437.284 5.729 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1sc(C)c(Br)c1C 2218938733 QPTARSKUKYUBII-GOEBONIOSA-N 431.440 5.638 30 10 IKEE CCCCCCCC[C@H](C)NC[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1 2223856364 CGQJWNRTTANSSO-ZCYQVOJMSA-N 445.692 5.837 30 10 IKEE Cc1cc(NC(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)ccc1NC(=O)OC(C)(C)C 2255866488 RSPFQXJTHSCZDL-UHFFFAOYSA-N 430.354 5.153 30 10 IKEE CC(C)(C)C#CC=CCC(=O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2256716860 YNWVCCFEBGRRCZ-HHHXNRCGSA-N 439.596 5.395 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1sc(Br)c(C)c1C 2265884732 VIVOVIQWPFMSRZ-INIZCTEOSA-N 435.387 6.442 30 10 IKEE C[C@@H](N(Cc1ccccc1)C(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2267405646 BYMWPECZPCEZQY-GOSISDBHSA-N 439.380 5.202 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCC)c2cc(OC)c(Br)s2)C1 2278282084 OIRKSWCEPHYBTH-OAHLLOKOSA-N 445.423 5.031 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1CN(c1c(Br)cccc1C#N)C1CC1 2285182220 HAQFGVBAJHXBCV-KRWDZBQOSA-N 434.378 5.079 30 10 IKEE C[C@@]12CC[C@@]3(C)[C@]4(C)CC(=Cc5cccnc5)C(=O)[C@@]4(C)CC[C@]3(C)[C@@]1(C)CC[C@H](O)C2 2294712161 KJQCPCBMQUPVPN-UBKVXDNGSA-N 435.652 6.608 30 10 IKEE CCCCCCCCCCOc1ccc(C2=NC(=Cc3ccccc3Cl)C(=O)O2)cc1 2297297509 SHIATAAJJMYXAO-UHFFFAOYSA-N 439.983 7.204 30 10 IKEE CCCCCCN1C(=O)C(=O)C(=C(O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1OC 2297745697 XSBXVKJSHYYEQI-QHCPKHFHSA-N 437.536 5.014 30 10 IKEE C=CCC(CC=C)[C@@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 2301037772 STUVAMWUMFCPGJ-DNQXCXABSA-N 430.633 5.623 30 10 IKEE COc1ccccc1C(=O)Oc1cccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)c1 2314430080 VTQKHHIJLZPCFS-UHFFFAOYSA-N 434.491 6.478 30 10 IKEE O=C1C(=Cc2c(Cl)cccc2Cl)Oc2cc(OCc3ccc(Cl)cc3)ccc21 2314438479 UQYFADXVKRPAGY-UHFFFAOYSA-N 431.702 6.842 30 10 IKEE CCN1C(=O)C(=Cc2ccc(OCc3ccccc3Cl)cc2)SC1=Nc1ccccn1 2314542459 VKLLJJHJVWNEEA-UHFFFAOYSA-N 449.963 5.938 30 10 IKEE CCCN[C@](C#N)(CC1CCC1)CN(CCN(C)Cc1ccccc1)Cc1ccccc1 2318403300 WWGCUAGLHMEABL-NDEPHWFRSA-N 432.656 5.073 30 10 IKEE CCOc1cc(C=Nn2c(CC)nnc2SCc2cccc(F)c2)ccc1OC(C)C 2318571796 SPAXUQXQGNDJTQ-UHFFFAOYSA-N 442.560 5.340 30 10 IKEE CCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1ccc(OC(C)C)c(OC)c1 2318574099 FASDHTQYPXYUHZ-UHFFFAOYSA-N 438.597 5.428 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CC2)cc1 2320892208 WWKNAASQNDGYQQ-UHFFFAOYSA-N 447.391 6.036 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CC)nnc1SCc1ccc(Cl)cc1Cl 2321048219 AEYVPRYQDMBLFQ-UHFFFAOYSA-N 447.391 5.887 30 10 IKEE CC(C)(C)c1nnc(S)n1N=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 2321908635 UXRSXZKTOJNBOA-UHFFFAOYSA-N 435.380 5.632 30 10 IKEE CCCCC[C@H](CC)N1COc2ccc3c(c2C1)OC(=Cc1ccc(N(C)C)cc1)C3=O 2322071775 LHYIOKNJMIBHIK-FQEVSTJZSA-N 434.580 5.880 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(ccc4c3CN([C@H]3CCCC[C@@H]3C)CO4)C2=O)cc1 2322153134 IBLMHGMXZTYJSH-CYFREDJKSA-N 446.591 5.880 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)cc1 2322359599 PYAKZYMISNNWIY-UHFFFAOYSA-N 445.773 7.684 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccccc2Cl)c1OCc1cccc(Cl)c1 2322436608 DZBIQCBLCHWDJD-UHFFFAOYSA-N 447.745 7.131 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccccc2OCc2c(Cl)cccc2Cl)cc1 2322724993 JTRZTUPBTSHVCU-UHFFFAOYSA-N 425.355 7.592 30 10 IKEE Cc1cc(OC(=O)C2CCCCC2)cc2c1C(=O)C(=Cc1ccc(-c3ccccc3)cc1)O2 2322748050 JSSMZORCBYGBQA-UHFFFAOYSA-N 438.523 6.764 30 10 IKEE CCCOc1ccc(Br)cc1C=CC(=O)c1cc(C(C)C)c(OC)cc1C 2322792054 JDOZNSRMYZLLFS-UHFFFAOYSA-N 431.370 6.574 30 10 IKEE Cc1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2cn(C)c4ccccc24)C3=O)cc1 2323063334 AQILBVBFVCXFLR-UHFFFAOYSA-N 449.506 6.030 30 10 IKEE COc1ccc(OC)c(C=C2Oc3cc(OC(=O)CCc4ccc(C)cc4)ccc3C2=O)c1 2323078768 QXRJWHDTLOACHM-UHFFFAOYSA-N 444.483 5.167 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1OCc1c(F)cccc1Cl 2323195584 WEOKDJXIYPETFT-UHFFFAOYSA-N 440.854 5.692 30 10 IKEE CCCOc1ccc(C=CC(=O)C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1OC 2323222878 BFSOJDGYGJDELR-UHFFFAOYSA-N 443.543 5.295 30 10 IKEE Cc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc4c(c2)OCO4)C3=O)cc1C 2323258767 ITDUVNRTIJFTTG-UHFFFAOYSA-N 428.440 5.176 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2C)C1=O 2323283411 JPHLBTBRNCQAMB-UHFFFAOYSA-N 449.846 5.700 30 10 IKEE COc1cc(C=NNc2nc3ccccc3[nH]2)ccc1OCc1ccc(C(C)(C)C)cc1 2323303720 NUADKBSRSDUECK-UHFFFAOYSA-N 428.536 5.894 30 10 IKEE CCOc1ccccc1C=C1Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc2C1=O 2323318311 CERFWBPMSPPGPU-UHFFFAOYSA-N 446.886 5.974 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](C)NC(=O)C=Cc1ccc(Cl)c(Cl)c1 2323603493 KZYGOKDEOSUFPA-KRWDZBQOSA-N 427.416 5.768 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2Cl)C3=O)c1 2323799651 CGZQPJKNINKBAU-UHFFFAOYSA-N 434.875 5.883 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Cl)c1OCc1cccc(F)c1 2324245055 UZPCFFVOKLXWRK-UHFFFAOYSA-N 446.852 6.631 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(O[C@H](C)C(=O)Nc4ccc(F)cc4)c3C)C2=O)c1 2324319264 FXGQLVZDSRWUFR-QGZVFWFLSA-N 431.463 5.465 30 10 IKEE Cc1cccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccc(F)cc2)C3=O)c1C 2324498962 INHMCECNBVPHNQ-GOSISDBHSA-N 445.490 5.773 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)ccc1OCC(=O)OCC(C)C 2324540520 XLDJOOQZTQYJRN-UHFFFAOYSA-N 446.927 5.140 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OCCCOc4ccc(Cl)cc4)c3C)C2=O)cc1 2324561267 BXLZFRYDZQCTMQ-UHFFFAOYSA-N 448.946 6.675 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OCCCCOc4ccc(C)cc4)ccc3C2=O)cc1 2324585254 GIWCKUHNNGFLLS-UHFFFAOYSA-N 444.527 6.248 30 10 IKEE CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccc(C)o2)C3=O)c1 2324826058 MRLVJDJXOZDBAL-QGZVFWFLSA-N 445.471 5.121 30 10 IKEE Cc1ccc(NC(=O)CCOc2cc(C)c3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1 2325226119 LIBQMFRFMCAFOG-UHFFFAOYSA-N 431.463 5.466 30 10 IKEE CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2F)C3=O)cc1 2325424422 WZAJSGZGDPRZDC-INIZCTEOSA-N 445.446 5.051 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3ccccc3)n2N=Cc2ccc(F)cc2)c1 2325448744 OKDWYXFDOFENPI-UHFFFAOYSA-N 444.579 5.994 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1c(Cl)cccc1Cl 2325522067 NZXVYJSBAOTXDH-UHFFFAOYSA-N 447.435 6.719 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1OC(=O)c1ccc(F)c(F)c1 2325698990 JFGPUOZPLJVOCZ-UHFFFAOYSA-N 444.433 6.242 30 10 IKEE COc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)[C@H](C)c1ccccc1 2325721644 OVBFJRHEIFCREU-QGZVFWFLSA-N 431.444 5.209 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC(=O)c2ccccc2[N+](=O)[O-])c1 2325765949 WKGKRXPDPJGQTK-UHFFFAOYSA-N 443.499 6.316 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)c2ccc(F)cc2F)c1 2325783487 ZKKYQVXARNPCGD-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cc(C)cc(C)c3)c2)c(OC)c1OC 2325787449 VFVPTQPZBIJZCU-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE CCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1c(C)n(CC)c2ccccc12 2326681325 GDDDBIBMWPLYSH-UHFFFAOYSA-N 442.592 5.560 30 10 IKEE CCCCOc1ccc(C=Nn2c(COc3cc(F)ccc3F)nnc2SCC)cc1 2327458056 GJSMDJBXKCSIRJ-UHFFFAOYSA-N 446.523 5.308 30 10 IKEE CCCCOc1ccc(C=Nn2c(Cc3cccc4ccccc34)nnc2SC)cc1 2327702778 QOOUYDIGGKRUNK-UHFFFAOYSA-N 430.577 5.805 30 10 IKEE Cc1ccccc1CSc1nnc(COc2cccc(C)c2C)n1N=Cc1ccccc1 2328824614 UWOWKIIIQKAPJQ-UHFFFAOYSA-N 442.588 5.957 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccc(N(C)C)cc2)cc1 2330453911 DFWZGTDJANZNAU-UHFFFAOYSA-N 441.604 5.418 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cc(Cl)ccc2Cl)cc1)c1ccc2ccccc2c1 2330653787 IABLCVMTXRMWFS-UHFFFAOYSA-N 447.317 7.262 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3sccc3C)c([N+](=O)[O-])c2)cc1C 2330867234 AOZWENYGIDAHFF-UHFFFAOYSA-N 437.473 5.397 30 10 IKEE Cc1ccccc1CCC(=O)Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1Cl 2330919359 DPWVCWLNXCRRMJ-UHFFFAOYSA-N 439.338 6.736 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 2330952896 HNUHGWMFDURAQL-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 2331051703 DFUDXLLVFMUNAZ-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CCCC2)c1 2331077660 RNNSCQWGCWVSPN-UHFFFAOYSA-N 426.973 5.772 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC(=O)Cc1ccc(F)cc1F 2331156593 GLGAUAHQMWEYTB-UHFFFAOYSA-N 442.845 5.671 30 10 IKEE Cc1ccc2[nH]c(C(=O)Oc3ccc(C=CC(=O)c4ccc(F)c(C)c4)cc3)c(C)c2c1 2331332974 HUKDMZNWBWXTJO-UHFFFAOYSA-N 427.475 6.348 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2331382832 MPYPMGXBEANQCN-UHFFFAOYSA-N 447.923 5.451 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(OC)ccc2OC)cc(Cl)c1OC(=O)C(C)C 2331389304 OYFDQPCYHRTVLU-UHFFFAOYSA-N 432.900 5.213 30 10 IKEE Cc1ccccc1CSc1nnc(C2CCC2)n1N=Cc1ccc(C(F)(F)F)cc1 2331489395 YYBSBKWEZULGBK-UHFFFAOYSA-N 430.499 6.047 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2C2CCC2)cc1OC 2331493220 JPIARALTHXOHPN-UHFFFAOYSA-N 440.544 5.267 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1OC(=O)c1ccccc1 2331532535 RQJFTEWFDXEVAM-UHFFFAOYSA-N 435.407 5.248 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 2331659516 RNRBFVBQRZEHOA-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2sccc2C)c(C)c1 2331712741 DBOOOUFQKCXXAY-UHFFFAOYSA-N 427.599 5.001 30 10 IKEE Cc1ccccc1CSc1nnc(C2CC2)n1N=Cc1ccc(Br)cc1 2331726213 LMJXMFWMUNGPGE-UHFFFAOYSA-N 427.371 5.401 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)COCc3ccccc3)c(Cl)c2)c(C)c1 2331768860 QXQNLPYMTHOAJM-UHFFFAOYSA-N 448.946 6.284 30 10 IKEE CC[C@H](Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)[C@@H](CC)NC(=O)OC(C)(C)C 2339582430 QEKKSUSBKXDKRO-VPHMPFFRSA-N 446.397 5.187 30 10 IKEE C=CCNC(=O)c1cccc2c1N[C@@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CC=C[C@H]21 14469927 AOGSDGIGTFTVIZ-XFAFFCHDSA-N 436.555 6.008 30 10 IKEE CC1=C(c2cccc(Cl)c2)C2=NNC3=C(C[C@@H](c4ccc(C(C)C)cc4)CC3=O)N2N1 14729913 JMKZTVSSGOTPIX-LJQANCHMSA-N 432.955 5.290 30 10 IKEE COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccc(C)cc4C)nn32)cc1 20134148 LKEWDCYFOAAIBX-HSZRJFAPSA-N 446.576 5.218 30 10 IKEE COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2OC)C3)cc1 21253397 VOFQCSWNAADGRM-CLYVBNDRSA-N 426.516 5.683 30 10 IKEE CC[C@H]1CSC(=Nc2ccccc2)N1C(=O)CSC(c1ccccc1)c1ccccc1 96576474 BKZAEAIZWWPNJV-QHCPKHFHSA-N 446.641 6.551 30 10 IKEE CCCCCCCCCCCCOc1cccc(NC(=O)c2ccc(C(=O)O)cc2)c1C 101005752 ZSUBHDVGQNWGBW-UHFFFAOYSA-N 439.596 7.245 30 10 IKEE N#C[C@@H](C(=O)c1cc(Br)ccc1Br)c1cccc(Cl)c1F 160729122 JURNUKBIPUUABS-LLVKDONJSA-N 431.486 5.494 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)ccc2O)c1 169970930 XGSJCHFKAJGWQO-JOCHJYFZSA-N 433.891 5.445 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(OC(C)C)cc1 169978818 NWBOAJFSOANQFE-XMMPIXPASA-N 447.531 5.989 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2ccccc2)=C(N(CC)c2ccccc2)C1=O 170041329 BNNCMEFZUVLNLI-UHFFFAOYSA-N 432.608 6.434 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@@H]2c2ccco2)c1 170090839 ZKXGEULVOQVXQU-JOCHJYFZSA-N 431.488 5.369 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OCC)c3)[C@H]2c2ccc(C)o2)c1 170099474 AYSSWBKJOAYTFC-QHCPKHFHSA-N 447.487 5.168 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)o1 170101923 MFIFIKLVJKHRDM-JOCHJYFZSA-N 449.890 5.268 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccc(O)cc2)cc1 170132062 BYFBAHLJVIOXRC-XMMPIXPASA-N 443.499 5.272 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2cccc(C)c2)cc1 170142078 QDGRJHCBTPVWDD-SANMLTNESA-N 433.507 6.240 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccccc2)cc1 170228498 YMDLDZUJBQGQFM-DEOSSOPVSA-N 438.483 5.130 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(F)cc2)cc1C 170242397 IBJABVAXDKGQRC-QHCPKHFHSA-N 437.511 5.444 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccc2F)c1 170248418 UHRHYTYLLSCWOS-DEOSSOPVSA-N 445.490 5.706 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@@H]1c1ccccc1F 170252526 KTKCISOELNJEFO-IBGZPJMESA-N 446.316 5.275 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1CCOC(C)C 170270525 BJXDRLSIRRHYQS-DEOSSOPVSA-N 429.516 5.152 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1C 170272076 KCAFRQHYYAVLIY-QHCPKHFHSA-N 427.500 5.403 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccco2)cc1C(C)C 170283564 UNWAPRODVIVXCH-QHCPKHFHSA-N 447.487 5.209 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C(C)(C)C)ccc3C)[C@H]2c2ccco2)cc1 170284727 NRCROQMYCBAHIG-HSZRJFAPSA-N 445.515 5.677 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C(C)(C)C)ccc3C)[C@@H]2c2ccco2)c(C)c1 170289488 RJAQPBUFOPYETC-DEOSSOPVSA-N 443.543 6.285 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1ccco1 170290207 TXKHWXBBLQZIAQ-QHCPKHFHSA-N 429.516 5.977 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2Cc2cccs2)o1 170298154 ZSMBFUMSQGTQBN-QFIPXVFZSA-N 429.497 5.581 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(C)o2)cc1C 170299169 OXMLYQDOAGUNSF-QFIPXVFZSA-N 435.451 5.135 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cccc(C)c2)cc1 170342055 JJSBWNDTOXLHMI-HSZRJFAPSA-N 430.504 5.217 30 10 IKEE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/Oc3ccc(C)cc3C2=O)cc1 213994006 AFFWYDQGHHENCU-YZSQISJMSA-N 434.495 6.029 30 10 IKEE Cc1ccc(NC(=O)CS[C@@H](C)C(=O)Nc2cccc(C#Cc3ccccc3)c2)cc1 247994966 PCVYHXVTZWYBOA-FQEVSTJZSA-N 428.557 5.094 30 10 IKEE CC[C@@H](CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3C[C@H](O)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 256434206 IWNCBADONFSAAW-SOCLFKFGSA-N 428.701 7.204 30 10 IKEE endogenous,in-man CCOc1ccc([C@H]2C(c3ccc(OC)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526514340 DGLGHEYDDRQRMK-DEOSSOPVSA-N 426.472 5.023 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccnc2)c1 526517270 QYQZAKGTIVKQMU-DEOSSOPVSA-N 425.488 5.189 30 10 IKEE Cc1cccc([C@@H]2C(c3ccc(Cl)cc3Cl)=C(O)C(=O)N2c2ccccc2C#N)c1 526607964 ATGGYSVJIVLQFG-JOCHJYFZSA-N 435.310 6.231 30 10 IKEE Cc1cccc([C@H]2C(c3ccc(Cl)cc3Cl)=C(O)C(=O)N2c2ccccc2C#N)c1 526607965 ATGGYSVJIVLQFG-QFIPXVFZSA-N 435.310 6.231 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccc(OCC)c(OC)c1 526816327 BYTRDFSXMIUTIP-OYKKKHCWSA-N 444.988 5.466 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1cccc(OC(C)C)c1 526825815 KOAHAZNQQIRZFE-MYYYXRDXSA-N 426.561 5.722 30 10 IKEE CC/N=C1/C[C@@H]2Oc3cc(NCC)c(C)cc3[C@H](c3ccccc3C(=O)OCC)[C@@H]2C[C@@H]1C 585663610 YLTLQPNBMWEMHP-OJZGGKFUSA-N 448.607 6.003 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)C2CCCCC2)cc1 586179432 BPYHVJJSKKDINU-UHFFFAOYSA-N 438.637 6.205 30 10 IKEE N#Cc1ccc(Br)cc1Nc1nc(Br)c(Br)s1 686907921 MQNQMULWMBDGSA-UHFFFAOYSA-N 437.942 5.046 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@]1(C#N)CCc2ccc(Br)cc21 698852290 DBFQSBSSTRJHFT-QFIPXVFZSA-N 433.390 6.074 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)c(F)c1F)NCCC 701318249 KNIACCHTBXSYQR-JKSUJKDBSA-N 447.364 5.107 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(F)(F)F)nc2O)ccc1OCC(F)(F)F 731564995 XJICPQPSKAHLIA-ZZXKWVIFSA-N 435.320 5.042 30 10 IKEE CC1(C)[C@H](/C=C(/Cl)C(F)(F)F)[C@H]1C(=O)O[C@H](c1ccc(C#N)cc1)C(F)(F)F 1615216750 JCFCFHCAYVNVHL-LYZOUGKASA-N 425.756 5.662 30 10 IKEE C/C(=C1/SC(=Nc2cccnc2Cl)N(C2CCCCC2)C1=O)c1ccc(Cl)cc1 1772732041 BVWOJQCKHTYBSP-OQZKWKKUSA-N 446.403 6.715 30 10 IKEE C=CCOc1ccc(/C=C2/SC(=Nc3cccnc3Cl)N(c3ccccc3)C2=O)cc1 1772733808 OEZGSSVGOSZJKY-QFOSJIQNSA-N 447.947 6.108 30 10 IKEE CCN1C(=O)/C(=C\c2ccccc2OCc2ccc(C)cc2)SC1=Nc1nc(C)cs1 1772735592 QQFPRDILOQWABQ-TVWUMHKZSA-N 449.601 5.963 30 10 IKEE Cn1cccc1/C=C1\SC(=Nc2nc(-c3ccccc3)cs2)N(C2CCCCC2)C1=O 1772738123 ORNBYCMEBSCLMN-POLMPROESA-N 448.617 6.085 30 10 IKEE CCCCCCCCCCC[C@@H](C[C@H]1OC(=O)[C@@H]1CCCCCC)OCc1ccccc1 1848441335 GAMXMSBSPXGAGZ-UPRLRBBYSA-N 444.700 8.395 30 10 IKEE Cc1cccc(-n2cc(/C=N\NC(=S)Nc3ccccc3)c(-c3cccc(Cl)c3)n2)c1 1857809826 BLCWIIDAQDFCPC-YSMPRRRNSA-N 445.979 5.822 30 10 IKEE CCCCCCCCCCN1C(=O)/C(=C\c2cn(C)c3ccc(OC)cc23)SC1=S 1858586517 PAXQJVIAKMSASC-PXLXIMEGSA-N 444.666 6.529 30 10 IKEE CC(C)(C)CC(C)(C)NC(=O)Oc1cccc2c(NC(=O)c3cccc(C#N)c3)cccc12 1858944935 WNIAJPXZYYTIKN-UHFFFAOYSA-N 443.547 6.267 30 10 IKEE CCN(C(=O)C(=O)/C=C/c1ccc(OCc2ccccc2)c(OC)c1)c1cccc(C)c1 1860637215 LPBUKIWBEGPYRU-FYWRMAATSA-N 429.516 5.218 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(C)cc1 1862413188 XQMYJEZKYJZOFV-HSZRJFAPSA-N 441.518 6.212 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@@H]2c2cccc(C)c2)cc1OCCC 1862426604 YKIJKLRMRHNZNC-HSZRJFAPSA-N 437.536 5.171 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@H]2c2ccccc2F)cc1 1862430418 JYDYUPRWADKDOY-HSZRJFAPSA-N 449.909 5.609 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc(Cl)c1)c1c(F)cc(F)cc1F 1862463305 GAJMEIOXLCSNIT-LJQANCHMSA-N 447.796 5.129 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862474813 VTUZGTIOQDXACO-XMMPIXPASA-N 429.491 5.475 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(C(C)C)cc2)cc1 1862477065 HVPVSZYTQLXNLN-VWLOTQADSA-N 431.576 6.420 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862559879 ZDANOBWYGVZQIB-XDHUDOTRSA-N 442.515 5.007 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2cccc(Cl)c2)c1 1862589340 JKWIOMVJZAPUJZ-JOCHJYFZSA-N 433.891 5.133 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1cccc(Cl)c1 1862592066 UUZYSIBUDJNKPE-XWRIVVANSA-N 425.912 5.203 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2cccs2)cc1 1862594628 HIIOIGSNZFXQCS-JOCHJYFZSA-N 433.529 5.356 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2Cc2cccs2)cc1 1862702473 CYYWMXGVCABXMS-QFIPXVFZSA-N 433.529 5.098 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2cccc(F)c2)c1 1862703512 VWSUMVHOIFRKBK-HSZRJFAPSA-N 435.495 5.303 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCCCCO)cc1 1862714806 HAUKMZHJAVQXRQ-RUZDIDTESA-N 443.543 5.143 30 10 IKEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc2cc[nH]c2c1 1862727003 UOIUJDMJASUFEU-VWLOTQADSA-N 436.511 5.822 30 10 IKEE Cc1ccc(C2=C(Nc3ccc(Cl)cc3Cl)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862897538 SHQWYPDLMODNHD-UHFFFAOYSA-N 448.309 5.570 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc3c[nH]nc3c2)=C(c2ccc(F)c(C)c2)C1=O 1863456328 LBBHPMMSORGFRP-UHFFFAOYSA-N 448.542 5.563 30 10 IKEE N#Cc1cnn(-c2ccccc2F)c1NC(=O)[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21 1865878644 PCCDXMLXKDGRPN-MRXNPFEDSA-N 433.874 5.076 30 10 IKEE C[C@H]1COC[C@H](C)N1c1cc(Nc2cccc(C#N)c2)nc(-c2ccc(C(C)(C)C)cc2)n1 1868538289 NOZSHJLGWRPLMB-OALUTQOASA-N 441.579 5.670 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccccc1)NC(=O)/C=C(/c1ccc(C)c(C)c1)C1CC1 1868670290 MZPWEZDOKSFPIC-ZWYXHSNQSA-N 442.603 5.025 30 10 IKEE Cc1ccc(Cl)cc1-n1nnc(C#N)c1NC(=O)/C=C/c1ccc(Cl)cc1Cl 1870140756 IDUJWDQDFQWFQN-QPJJXVBHSA-N 432.698 5.060 30 10 IKEE CCOc1ccc(/C=C/C(=O)Nc2c(C#N)nnn2-c2cc(C(C)C)cc(C(C)C)c2)cc1 1870149292 IXMREMRVXZBCHC-FMIVXFBMSA-N 443.551 5.436 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2Cl)c(=O)cc1CN1CCCC1 1870340585 OSSYMWIZMFPYNC-UHFFFAOYSA-N 431.020 6.037 30 10 IKEE C=CCOc1cn(CCCCCCCCCC)c(CNc2cccc([N+](=O)[O-])c2)cc1=O 1870813147 YSRGXTGIPUGVHQ-UHFFFAOYSA-N 441.572 6.074 30 10 IKEE CCCCCCCOc1cn(CCc2ccc(C)cc2)c(CNc2cccc(C)c2)cc1=O 1870835762 IBNHOVWGRFSPGB-UHFFFAOYSA-N 446.635 6.669 30 10 IKEE C[C@@H]1CCCC[C@H]1N1COc2ccc3c(c2C1)O/C(=C\c1ccc(Cl)cc1Cl)C3=O 1871350474 HVOXMRJCAFSKAJ-BHHMYDPLSA-N 444.358 6.340 30 10 IKEE CCN(CC)CCCN1COc2c(cc3c(c2C)O/C(=C\c2ccccc2Cl)C3=O)C1 1871354895 GWWQPTHHDTXJJN-HMAPJEAMSA-N 440.971 5.148 30 10 IKEE COC(=O)c1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc(C)cc4)ccc3C2=O)cc1 1871366930 PUOZLFSEPISCLX-DHLMYGRGSA-N 440.451 5.017 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(ccc(OC(=O)/C=C/c4ccco4)c3C)C2=O)cc1 1871369543 QHFDDICKDBWBCB-CURGHARLSA-N 443.499 5.669 30 10 IKEE CCOc1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871380133 YBMRIBBTWLIIFH-NFOYZZEQSA-N 444.458 5.768 30 10 IKEE C=CCN(CC=C)Cc1c(O)cc(C)c2c1O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 1871393566 WPRBMLIQFFIGKI-NDENLUEZSA-N 430.331 5.798 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCCCCOc4ccccc4)ccc3C2=O)cc1OC 1871403481 NRXWGNOVWUXKQC-ONUIUJJFSA-N 446.499 5.558 30 10 IKEE CC(C)=C1Oc2cc(O[C@@H](C)C(=O)Nc3ccc(Oc4ccccc4)cc3)cc(C)c2C1=O 1871404788 AAIFAXIGLORMCI-SFHVURJKSA-N 443.499 6.062 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871408018 ORRIEEMIBYQCGI-NQRZERFFSA-N 431.463 5.465 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OCCOc4cccc(C)c4)ccc3C2=O)cc1OC 1871408364 UMEPZCHNGULROP-MYYYXRDXSA-N 432.472 5.086 30 10 IKEE CCc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871411488 OXIPRLXXSSVFCZ-SGMWPGOQSA-N 447.918 5.925 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCC(=O)N[C@H](C)c4ccccc4)cc(C)c3C2=O)c1 1871424949 ZPQXHNQMEWTXHO-QHSFOXILSA-N 427.500 5.176 30 10 IKEE CCCCc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 1871455550 SXLBGWJADNKWIP-MYYYXRDXSA-N 445.490 5.802 30 10 IKEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1cc(C)ccc1C 1871870917 CZOOODJAVBXWRK-OAQYLSRUSA-N 449.016 5.187 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[C@@H](C)CC)S(=O)(=O)c1cccs1 1872027093 ZGYKMWGWPDFQSF-UWJYYQICSA-N 448.654 5.276 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)C23CC4CC(CC(C4)C2)C3)n1 1872784936 ANXYZOGYGVXWIP-DBZFMOGVSA-N 432.633 6.809 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc(CN2CCC[C@@H](C(=O)OCC)C2)cc1 1872883631 YJJZTUGHOFWTBI-XMMPIXPASA-N 430.633 5.332 30 10 IKEE COc1ccc(NC(=O)c2cccc(CSc3nc(C)c(C)c(C)c3C#N)c2)cc1OC 1872893057 FILCRTGMWHJUPO-UHFFFAOYSA-N 447.560 5.440 30 10 IKEE N#Cc1ccccc1NC(=O)[C@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 1873868987 ZLEQOGIKVQMIGW-RUZDIDTESA-N 435.527 5.644 30 10 IKEE CCCOc1cccc(/C=N/n2c(Cc3ccc(Br)cc3)nnc2SC)c1 1874211815 PCQHKIVRPCZIQH-HYARGMPZSA-N 445.386 5.024 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2C)n1/N=C/c1cccc(Cl)c1 1874250146 TUNKVZDEFYJTDO-MFKUBSTISA-N 441.000 5.802 30 10 IKEE CCCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1cn(C)c2ccccc12 1874271460 XGBHLFOEKXUZAH-WPWMEQJKSA-N 439.588 5.898 30 10 IKEE COc1ccc(OCc2nnc(SCc3cccc(C)c3)n2/N=C/c2ccccc2)cc1 1874293365 ZORQSCIPHJQOIW-WGOQTCKBSA-N 444.560 5.349 30 10 IKEE Cc1ccc(CSc2nnc([C@@H](C)c3ccccc3)n2/N=C/c2ccc(F)cc2)cc1 1874391647 OBCBJGIKOHJHHI-FQNOVECQSA-N 430.552 6.052 30 10 IKEE C=CCSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1ccc(OCCCCC)cc1 1874400235 LVJQESISZWZKFX-KHKYUJEISA-N 434.609 6.159 30 10 IKEE CCCSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874400739 YGQPJSBRFPYOCS-KOUDTOEKSA-N 429.933 5.376 30 10 IKEE Fc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCc2ccc(Cl)cc2)cc1 1874408735 MZAGZRYQQCACQS-CVKSISIWSA-N 442.991 6.368 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2cccs2)n1/N=C/c1ccc(Cl)cc1 1874410593 BPICSPHWHKJUEJ-ZVHZXABRSA-N 439.009 6.067 30 10 IKEE Cc1ccc(CSc2nnc(Cc3cccs3)n2/N=C/c2ccc(Cl)cc2)cc1 1874410954 DUOCKKZWSIJTKH-ZVHZXABRSA-N 439.009 6.067 30 10 IKEE Cc1ccsc1/C=N/n1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1cccs1 1874421381 JYKGSICDGIUPIE-RGVLZGJSSA-N 441.563 5.459 30 10 IKEE Cc1cccc(CSc2nnc([C@H]3CCCO3)n2/N=C/c2ccc(Cl)cc2Cl)c1 1874448012 QQRMPQCZFVRRIV-QVHMZZSFSA-N 447.391 5.919 30 10 IKEE Fc1cccc(Cl)c1/C=N/n1c(SCc2ccccc2Cl)nnc1C1CCCC1 1874455772 KINJCCBWBXRWSA-BRJLIKDPSA-N 449.382 6.556 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CCCC2)cc1O 1874456210 GXTVXYSSWGFCHG-CVKSISIWSA-N 444.560 5.675 30 10 IKEE O=[N+]([O-])c1cc(/C=N/n2c(SCc3ccccc3)nnc2C(F)(F)F)ccc1Cl 1874459951 FSRDUZQIZTUMOQ-LSFURLLWSA-N 441.822 5.033 30 10 IKEE CC(C)c1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc(Cl)cc1Cl 1874515700 LIMSRQAWQZYYMR-AUEPDCJTSA-N 439.799 6.536 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1OC 1874572744 CJBXRRUDXJHJDU-RMKNXTFCSA-N 443.326 6.486 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccc(CC)cc2)cc1 1874573208 ATTBZFQUOKJMKT-LVZFUZTISA-N 441.571 6.505 30 10 IKEE Cc1ccc(COc2ccc(Cl)cc2/C=C/C(=O)c2cccc(Br)c2)cc1 1874575897 MMQDJOATAYYVRV-PKNBQFBNSA-N 441.752 6.886 30 10 IKEE O=C(/C=C/c1c(OCc2nc(O)c3ccccc3n2)ccc2ccccc12)c1ccccc1 1874578413 MSDSNJNVVIIWOU-FOCLMDBBSA-N 432.479 5.964 30 10 IKEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)cc2OC)o1 1874603457 XLYMDWSOQHUMFH-KPKJPENVSA-N 446.499 5.429 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCc3nc(O)c4ccccc4n3)c([N+](=O)[O-])c2)cc1 1874616277 QUVIARGHNRDYPA-XYOKQWHBSA-N 441.443 5.027 30 10 IKEE CCCOc1c(Br)cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OCC 1874627128 DSZANSCTIWMJMK-VMPITWQZSA-N 425.269 5.811 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OCC(=O)Nc2cccc(C)c2)cc1 1874629881 ZNKMCGKLKKGMGL-JLHYYAGUSA-N 429.516 5.534 30 10 IKEE CCCOc1c(Cl)cc(/C=C/C(=O)c2cc(OC)c(Cl)cc2OC)cc1OC 1874630197 PPRFYSNGPOPEME-VOTSOKGWSA-N 425.308 5.704 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(F)cc1 1874633317 WSBNKJCLVGCTJE-XYOKQWHBSA-N 438.926 6.970 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)COc3ccccc3OC)c2)cc1 1874693964 FSKQVBRDNYDOSZ-RVDMUPIBSA-N 446.499 5.147 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3cccs3)c2)cc1C 1874718111 SMJLVXXOHVZHCO-VQHVLOKHSA-N 436.529 5.426 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3)c([N+](=O)[O-])c2)cc1C 1875108470 QJQGPOIVDUHKRA-XCVCLJGOSA-N 435.407 5.166 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2ccc(/C=C/C(=O)c3cccc(Br)c3)cc2)c1 1875114298 IOXPSPFZIZHVFN-JLHYYAGUSA-N 449.344 6.110 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC(=O)C1CCCC1 1875117795 NHYXBSQWIGEMRO-KPKJPENVSA-N 443.883 5.639 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1Cl 1875120666 DPDLSRNLILPEGL-YCRREMRBSA-N 430.809 5.802 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)[C@H]2C[C@H]2c2ccccc2Cl)cc1)c1cccc(Cl)c1 1875123042 ABMZEQAPZNDBMK-BYSZYJCHSA-N 437.322 6.599 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OCC)cc2)cc(OC)c1OC(=O)c1cccnc1 1875130816 TYNGXJSUHJIKFY-NTEUORMPSA-N 443.499 5.333 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)COc3cc(F)ccc3F)cc2)ccc1F 1875140849 AVWTVNCVPCJTEA-NYYWCZLTSA-N 426.390 5.293 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(OC)ccc2OC)cc(OC)c1OC(=O)CC(C)C 1875147326 RIIAITRYQSYPHD-PKNBQFBNSA-N 438.520 5.289 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1cccc(Cl)c1 1875150484 PPIPJYTYZUYLDJ-RIYZIHGNSA-N 448.946 6.761 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)C(C)(C)C)c(Br)c2)cc1C 1875188460 WEISFOWKKIFONH-VQHVLOKHSA-N 445.353 5.922 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc(OC)c1OC(=O)C1CC1 1875191855 HYDIMBTWQRUREX-GXDHUFHOSA-N 442.511 5.797 30 10 IKEE C=CCn1c(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc2c(NCc3ccc(Cl)cc3)ncnc21 1875230689 KFEITTUWUQQGPL-CALCHBBNSA-N 437.975 5.001 30 10 IKEE C=C(C)C[C@H](NCCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875659932 GRQPBQPNRLGRIU-WNJJXGMVSA-N 445.603 6.212 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccccc3-c3ccc(C)cc3)cc21 1891150264 ADQILKMJYQYQNB-UHFFFAOYSA-N 440.543 5.852 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NC)c1cc(Br)cc(Br)c1 1922068110 GRUGFCPOLYRKHI-GOSISDBHSA-N 425.164 5.245 30 10 IKEE C=C(COCc1ccccc1)[C@@H](C[C@H]1CCCN(C(=O)OC(C)(C)C)CC1)NCCC 1922115109 DRDPESDSSKGHCZ-LADGPHEKSA-N 430.633 5.555 30 10 IKEE Cc1cc(Br)c(F)c([C@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)c1 1927537474 GIGAVLHTPKLXDC-INIZCTEOSA-N 439.350 5.960 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C1(C)C 1947970372 IBXZXVFOJXJPHH-HSZRJFAPSA-N 449.979 5.763 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@]1(C#N)CN(Cc2ccccc2)C(C)(C)C1 1949247173 NLVMLARNTMBROL-RUZDIDTESA-N 439.987 6.028 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@]1(C#N)CCN(Cc2ccccc2)CC1(C)C 1949305579 VDWRTNKIDMYXOR-QHCPKHFHSA-N 426.565 5.118 30 10 IKEE C[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)CCN1Cc1ccccc1 1949366817 NABPFSPYKXXWDQ-UQBPGWFLSA-N 439.987 6.028 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H]1[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1978217221 YWJFKESJUCKYKQ-JTSKRJEESA-N 435.952 5.373 30 10 IKEE CC(C)(C)OC(=O)NC[C@@](C#N)(c1ccccc1)N(C(=O)OC(C)(C)C)C1CCCC1 2020671392 LMHXXDBCTBFQPX-DEOSSOPVSA-N 429.561 5.110 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 2037323434 YXRIAKYIACQQHV-RUZDIDTESA-N 447.620 5.630 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCCN(C(=O)OC(C)(C)C)C2)c1 2053102132 OPEGHSWRZSUBAP-XMMPIXPASA-N 445.560 5.120 30 10 IKEE C=C([C@@H](N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(F)(F)F 2071353678 CBOYJQGQJFEWAC-RPWUZVMVSA-N 443.465 5.324 30 10 IKEE CC#CCCCC[C@@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2075369791 HZBUVYSJPKZIIG-SQHAQQRYSA-N 441.660 5.108 30 10 IKEE CC[C@@H](c1ccc(C)c(F)c1)n1nc(C(C)(C)C)c(C#N)c1I 2078984543 VEBQMTBTFBOCSI-HNNXBMFYSA-N 425.289 5.104 30 10 IKEE C[C@H](c1ccc(C(F)(F)F)cc1)n1nc(C(C)(C)C)c(C#N)c1I 2079906379 ZCVFVMKVZGIHRI-SNVBAGLBSA-N 447.242 5.285 30 10 IKEE COc1c2c(nc3c(-c4cc(C(F)(F)F)ccc4F)c(C(F)(F)F)nn13)CCCCC2 2081372851 BLBOXRTYJZVSHV-UHFFFAOYSA-N 447.354 5.851 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)C(C#N)(C(F)(F)F)C(F)(F)F 2127481582 RISHFWVJMVROMI-UHFFFAOYSA-N 447.173 5.578 30 10 IKEE N#C[C@@H](NC1CCCCCC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134725476 JSJXCZUSYRSZAE-HHHXNRCGSA-N 440.587 6.722 30 10 IKEE CCCCCCCCCCC(=O)c1c(Br)sc(Br)c1Cl 2164502146 OEHIXGRSUSWUMA-UHFFFAOYSA-N 444.660 7.640 30 10 IKEE CC(C)(C)OC(=O)NC1CCC2(CC1)CC(Nc1ccc(C#N)cc1Br)C2 2176703541 SYSCBYAMQJFDAR-UHFFFAOYSA-N 434.378 5.349 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(F)c(Br)cc1F 2198173042 GZRHORHIMQXXKL-QZTJIDSGSA-N 445.348 5.075 30 10 IKEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 2220395464 YONDQENJDQNBNN-OBWXTZQISA-N 447.551 5.495 30 10 IKEE C=CCC[C@H](NCCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229125968 KHJUVOHBNRNEKF-RBUKOAKNSA-N 425.411 5.219 30 10 IKEE C=CCC[C@@H](C)[C@@H](NCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237478926 DLQYKWPWMGXRNU-LSTHTHJFSA-N 439.438 5.465 30 10 IKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)C1(C#N)[C@H]2CCC[C@H]1CC(NC(=O)OC(C)(C)C)C2 2249322304 XSKDFZUIASWZDV-PVHMTZQWSA-N 435.609 5.388 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCCCN)c1cc(Br)c(Cl)s1 2252331467 XNOAMOVINTYWLV-QGZVFWFLSA-N 430.795 5.344 30 10 IKEE C=C(C)CCCC[C@H](NCCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2259232367 ZZXPPOUWVVGGGC-DEOSSOPVSA-N 444.660 5.945 30 10 IKEE C=CC[C@]1(COc2ncc(Br)cc2F)CCCCN1C(=O)OC(C)(C)C 2272081563 RNJRSOOYPGSMLU-LJQANCHMSA-N 429.330 5.098 30 10 IKEE CC1(C)OB(c2ccc3nccc(N(Cc4ccccc4)CC4CCCC4)c3c2)OC1(C)C 2285395397 LRIZBVUKZLTMKN-UHFFFAOYSA-N 442.412 5.731 30 10 IKEE CC(C)(C)OC(=O)NC1(CC[C@H](N)C#Cc2ccc(Br)cc2)CCCCC1 2296306788 LTMPEMRWOOBACW-LJQANCHMSA-N 435.406 5.136 30 10 IKEE Cc1cc(N2C(=O)C(=O)C(=C(O)c3cc4ccccc4o3)[C@@H]2c2ccc(C(C)C)cc2)no1 2296601273 YQYVRQNEOWQWCO-QHCPKHFHSA-N 442.471 5.479 30 10 IKEE CCCN1C(=O)C(=Cc2ccc(Br)o2)SC1=Nc1ccc(OCC)cc1 2297461975 QLLQUGNDJAOTRH-UHFFFAOYSA-N 435.343 5.455 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2)SC(=NN=Cc2cccs2)N1Cc1ccco1 2314818840 MUGUXGVPZXRJBH-UHFFFAOYSA-N 427.938 5.501 30 10 IKEE CC#CCN(C[C@H](NCCC)c1cccc(OCc2ccccc2)c1)C(=O)OC(C)(C)C 2316105461 IAUNBKCSRIWQAW-VWLOTQADSA-N 436.596 5.567 30 10 IKEE CCOc1cc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CC2)ccc1O 2320892090 IRPYXLSGSNKYDA-UHFFFAOYSA-N 428.945 5.088 30 10 IKEE Clc1ccc(COc2cccc(C=NNc3ccc(Cl)c(Cl)c3)c2)c(Cl)c1 2321719999 CIDSFVNKTLOCGU-UHFFFAOYSA-N 440.157 7.325 30 10 IKEE CCCCSc1nnc(CCC)n1N=Cc1ccc(OCc2cccc(Cl)c2)cc1 2321764115 NZCANMSSXBASHP-UHFFFAOYSA-N 443.016 6.237 30 10 IKEE Sc1nnc(C2CCC2)n1N=Cc1ccccc1OCc1ccc(Cl)cc1Cl 2321901673 GMYCMGZSMYKMNP-UHFFFAOYSA-N 433.364 5.602 30 10 IKEE COc1ccc(CN2COc3cc(C)c4c(c3C2)OC(=Cc2ccccc2F)C4=O)cc1 2321950363 CPGVMGLCMHSUDG-UHFFFAOYSA-N 431.463 5.111 30 10 IKEE CCCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1c(Cl)cccc1Cl)C3=O 2322052060 SNJUOXAKZCQHOX-UHFFFAOYSA-N 432.347 6.260 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)c1OCc1cccc(F)c1 2322307608 RRELQIIKJSLXGL-UHFFFAOYSA-N 438.498 6.976 30 10 IKEE O=C(C=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1)c1ccccc1 2322542623 YKDJHEPSTGHGRU-UHFFFAOYSA-N 427.725 6.578 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(Cl)cc1C=CC(=O)c1cc(C)ccc1C 2322617441 ITGSNWDBNOYXQL-UHFFFAOYSA-N 447.962 6.433 30 10 IKEE Cc1cc(C(=O)C=Cc2cc(Cl)ccc2OCc2cccc3ccccc23)ccc1F 2322634660 DJCQKBKYIIBKNC-UHFFFAOYSA-N 430.906 7.416 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(F)cc2)c1OCC(=O)Nc1c(C)cccc1C 2322748895 QBOCSGACEQVBBP-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)c1OCc1cccc(C)c1 2322842725 KLIRKQMQSWVLQN-UHFFFAOYSA-N 448.990 7.366 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OC(=O)CCc4ccc(C)cc4)cc(C)c3C2=O)cc1 2323087168 NIZCNUPAQBENMH-UHFFFAOYSA-N 442.511 5.857 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1OCC(=O)Nc1ccc(F)cc1 2323126459 UINLACBHFPBFOI-UHFFFAOYSA-N 439.870 5.401 30 10 IKEE CN(C)c1ccc(C=C2Oc3cc(OC(=O)c4ccc(F)c(F)c4F)ccc3C2=O)cc1 2323126637 YTWZEVNKPJUYAV-UHFFFAOYSA-N 439.389 5.005 30 10 IKEE CCOc1ccc(C=C2Oc3cc(OC(=O)CCCOc4ccccc4)ccc3C2=O)cc1 2323177515 BGCNSLJUQAIAHJ-UHFFFAOYSA-N 444.483 5.466 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OCc1cccc2ccccc12 2323301998 GOPRPMOVQYRWTO-UHFFFAOYSA-N 436.551 7.249 30 10 IKEE Cc1cc(C)c(S(=O)(=O)NN=Cc2ccc(OCc3ccccc3)c(Cl)c2)c(C)c1 2323379850 VYXQCCXAZSLDLX-UHFFFAOYSA-N 442.968 5.157 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)cc(Cl)c1OCCc1ccccc1 2323471393 VKVKDZOBCKCQOB-UHFFFAOYSA-N 434.963 6.819 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2C)C3=O)c(OC)c1 2323774948 DCJJFCHJRIBRAU-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)c4cccc(OC(C)=O)c4)ccc3C2=O)cc1 2323896768 TVIYEBSGWABVIX-UHFFFAOYSA-N 428.440 5.010 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(OC)ccc2OC)cc(Br)c1OCC 2324029694 AMHJIMKVZGJHLP-UHFFFAOYSA-N 435.314 5.160 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OCc1cccc(F)c1 2324234549 IFHVRDASCQFTSI-UHFFFAOYSA-N 448.534 6.616 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OCc1nc(O)c2ccccc2n1 2324261489 SPUURFAZWXYORZ-UHFFFAOYSA-N 448.425 5.097 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OCC(=O)OCC(C)C)c([N+](=O)[O-])c2)c1C 2324349027 BCAYNSSBLCGAFN-UHFFFAOYSA-N 439.508 5.303 30 10 IKEE Cc1ccccc1C=C1Oc2cc(O[C@@H](C)C(=O)Nc3cccc(Cl)c3C)ccc2C1=O 2324430288 KTLWOZXMORCRTA-KRWDZBQOSA-N 447.918 5.979 30 10 IKEE C=C(C)COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1Br 2324573693 LBLIROXDPUYWFP-UHFFFAOYSA-N 427.382 6.906 30 10 IKEE Cc1ccccc1OCCCCOc1ccc2c(c1C)OC(=CC=Cc1ccccc1)C2=O 2324599201 PPLSUYUVAJDMRK-UHFFFAOYSA-N 440.539 6.714 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(CC)cc1 2325563050 MXGFHGSFYILFIA-UHFFFAOYSA-N 433.408 6.274 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1cccc(OCC)c1 2325571780 JXRIGBSXXGMRDL-UHFFFAOYSA-N 449.407 6.111 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(F)c(F)c2F)c1)c1ccc([N+](=O)[O-])cc1 2325722376 DVZIABVMJKZMGY-UHFFFAOYSA-N 427.334 5.127 30 10 IKEE CCc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2cccc(OC)c2)C3=O)cc1 2325722604 YHWNWIAHFXFOGO-UHFFFAOYSA-N 443.499 5.200 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C=CC(=O)c3cccc(Cl)c3)ccc2OC)cc1 2325727314 GWHNMIHAOVRBJN-UHFFFAOYSA-N 436.891 5.863 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OC(=O)COc1cccc(C)c1C 2325759745 DBPGXSZASUSGPU-UHFFFAOYSA-N 444.527 5.809 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OC(=O)c1cc2ccccc2n1C 2325760057 PKHBNNRDBFNDKC-UHFFFAOYSA-N 439.511 5.919 30 10 IKEE CCCSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1ccccc1OC 2325964977 OUWBPDJGVGRVSS-UHFFFAOYSA-N 445.386 5.024 30 10 IKEE CCCOc1ccc(C=Nn2c(CCCOc3ccc(Cl)cc3)nnc2SC)cc1 2325975933 ABRFMRHAJNJJGE-UHFFFAOYSA-N 444.988 5.336 30 10 IKEE CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccc(CC)cc1 2326112785 QJNAWNDXRMTASW-UHFFFAOYSA-N 428.989 5.684 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccccc1OCC(C)C 2326306395 YXWRBADSGVRPKN-UHFFFAOYSA-N 436.625 6.138 30 10 IKEE CC(C)COc1ccccc1C=Nn1cnnc1SCc1ccc(Cl)cc1Cl 2326692780 WLZORIJFVVXIFX-UHFFFAOYSA-N 435.380 5.794 30 10 IKEE CCCSc1nnc(CCc2cccc(OC)c2)n1N=Cc1ccc(C(C)(C)C)cc1 2328654066 LKOLBPHUTGIBRK-UHFFFAOYSA-N 436.625 5.754 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2)n1N=Cc1c(F)cccc1Cl 2328754331 WSMNOYAWYTYDGJ-UHFFFAOYSA-N 430.936 5.243 30 10 IKEE CCCSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1cc(Cl)ccc1O 2328799178 PRJKPPBNDXLTCM-UHFFFAOYSA-N 430.961 5.217 30 10 IKEE Cc1ccc(CSc2nnc([C@H](C)c3ccccc3)n2N=Cc2ccc(F)cc2)cc1 2330050542 OBCBJGIKOHJHHI-LJQANCHMSA-N 430.552 6.052 30 10 IKEE COc1ccccc1C=Nn1c(SCc2ccccc2F)nnc1[C@@H](C)c1ccccc1 2330109047 XBSJTFODKPFQJH-SFHVURJKSA-N 446.551 5.752 30 10 IKEE Cn1cccc1C=Nn1c(Cc2ccccc2)nnc1SCc1cccc2ccccc12 2330500222 YMDCQFROPFTLRR-UHFFFAOYSA-N 437.572 5.535 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3ccccc3c2)cc([N+](=O)[O-])c1OC(=O)C1CCC1 2330669810 XXWVKKIHVCBTRN-UHFFFAOYSA-N 445.471 5.748 30 10 IKEE CCCOc1ccccc1C=Nn1c(CC(C)(C)C)nnc1SCc1cccc(C)c1 2330824010 JNYNUSDWIMHZPK-UHFFFAOYSA-N 436.625 6.138 30 10 IKEE CCCOc1cccc(C=Nn2c(SCCc3ccccc3)nnc2[C@@H]2CCCO2)c1 2330968026 MMIICAXBENRUNJ-QFIPXVFZSA-N 436.581 5.135 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)c1ccccc1C 2331135873 NGBCWQXNGYNJJB-UHFFFAOYSA-N 446.930 6.501 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)c1cnc(C)cn1 2331214695 NMEPHTJPKBMXBK-UHFFFAOYSA-N 436.895 5.179 30 10 IKEE Oc1ccccc1C=Nn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccco1 2331230036 CSVFFCMIEGLMTI-UHFFFAOYSA-N 445.331 5.725 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3C)c([N+](=O)[O-])c2)c1 2331323017 UFZWGVYVCYXJOF-UHFFFAOYSA-N 443.499 5.954 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2OC)CC1 2331330057 PNJWGGHQYRFBFP-UHFFFAOYSA-N 448.603 7.110 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(C)c3)cc2)cc1 2331332966 GYLJBAOXDRKDEN-UHFFFAOYSA-N 434.463 5.413 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)c1ccccc1C 2331335856 UKSHZZLNJXYDAC-UHFFFAOYSA-N 434.463 5.575 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(C)(C)C)n2N=Cc2ccc(Cl)c(Cl)c2)c1 2331397616 RNDAFJIDEKHNLG-UHFFFAOYSA-N 447.435 6.674 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1Cl 2331400024 BNDJDUVDUUADRK-UHFFFAOYSA-N 428.912 5.883 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)C)n2N=Cc2cn(C)c3ccccc23)c1 2331456408 KNIBZXINXIYSCN-UHFFFAOYSA-N 431.609 5.760 30 10 IKEE CC(C)Cc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc2c(c1)OCCO2 2331467694 VAABLMUOMFJSME-UHFFFAOYSA-N 442.972 5.076 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)c1ccccc1F 2331492995 JDFSYNACWCGBCM-UHFFFAOYSA-N 448.490 6.082 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccco3)c(Br)c2)cc1 2331496410 UVGRNYBGCPKGFS-UHFFFAOYSA-N 439.305 6.281 30 10 IKEE CCCOc1c(C=Nn2c(SCc3cccc(F)c3)nnc2C(C)C)cccc1OC 2331688009 RFOWZGMUEQNSDX-UHFFFAOYSA-N 442.560 5.513 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)c(C)c3)c(Cl)c2)cc1C 2331705859 WAHZFTUMZQUNMM-UHFFFAOYSA-N 436.910 6.449 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(=O)c1ccccn1 2331802437 PZFVXEPUTLDZRC-UHFFFAOYSA-N 429.516 5.811 30 10 IKEE COC(=O)c1nc(-c2cccs2)oc1NN=Cc1cccc(OCc2ccc(C)cc2)c1 2331931629 ZBJYNNAZDSPQCB-UHFFFAOYSA-N 447.516 5.523 30 10 IKEE Cc1ccc(Cl)cc1-n1nnc(C#N)c1NC(=O)C=Cc1ccc(Cl)c(Cl)c1 2332188430 LYWXWGQWHLPZTI-UHFFFAOYSA-N 432.698 5.060 30 10 IKEE C[C@H](Nc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1)c1cscc1Br 2339395424 SCTSVJIBMBCUHB-JTQLQIEISA-N 443.603 5.031 30 10 IKEE CCCCN(CCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2339581740 LXLYTXYCZWAVRE-BUHFOSPRSA-N 446.397 5.142 30 10 IKEE CCCCCCCCC[C@@H](NC)c1cc(Br)ccc1OCc1ccccc1 2361214036 JCNVOIWJNGMYHK-HSZRJFAPSA-N 432.446 7.429 30 10 IKEE CC[C@H](N[C@H]1CC(C)(C)[C@H]1OCc1ccccc1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363843862 LLSHGDXBRQWBQK-SDHOMARFSA-N 449.444 5.410 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1coc(C(F)(F)F)n1 2367916511 NSAGTDDKDMJJFQ-CYBMUJFWSA-N 446.223 5.462 30 10 IKEE Cc1cc(COc2cccc(Br)c2Cl)cc(B2OC(C)(C)C(C)(C)O2)c1 2369695505 ICUGQFOBFSELLH-UHFFFAOYSA-N 437.570 5.289 30 10 IKEE C=CCCC1(C(=O)Nc2ccc(C)c(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2381231365 BFGDKVRUKDSYPZ-UHFFFAOYSA-N 441.341 5.038 30 10 IKEE CC(=O)/C(=N\Nc1ccccc1)Sc1nnc(CCc2ccccc2)n1-c1ccccc1 13648667 RTXDBIBQHCWTIW-ZZIIXHQDSA-N 441.560 5.159 30 10 IKEE COc1ccc(OC)c([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(Cl)c(Cl)c2)C3)c1 20881921 XMPLSVCWDUKDQP-CZUORRHYSA-N 446.330 5.015 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(F)c2)cc1 21223463 IGIGRYNYGSGSMR-MMTVBGGISA-N 442.534 6.594 30 10 IKEE CCCOc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(C(C)(C)C)cc1)C2 21230750 ONJAKPVGGPUSAV-UGKGYDQZSA-N 431.576 5.777 30 10 IKEE C=CCn1c(S[C@@H](C)c2nc(C(C)C)no2)nc2sc3c(c2c1=O)CC[C@H](C)C3 27764964 SCPWHRLPRDEFRV-STQMWFEESA-N 430.599 5.129 30 10 IKEE CC(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 30730464 PCLHVGYGQYOJEF-YPODHHRNSA-N 430.673 5.785 30 10 IKEE in-vitro CC(C)c1ccc(/N=C2/NC(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)S2)cc1 39847349 WAUXBAMKTIYJMQ-KRWDZBQOSA-N 426.891 5.944 30 10 IKEE Cc1nnc(/N=C2/S/C(=C\C(Cl)=C\c3ccccc3)C(=O)N2C2CCCCC2)s1 39866566 ANJKLGWEKDLBBO-FEMMPIHVSA-N 445.013 5.906 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(C)o1 40094285 DZZXTJCMJSPZKV-JOCHJYFZSA-N 425.525 5.310 30 10 IKEE COc1ccc(CN2COc3c(cc4c(c3C)O/C(=C\c3cccc(C)c3)C4=O)C2)cc1 41587855 FJLDPWWKRRGYCN-MSXFZWOLSA-N 427.500 5.280 30 10 IKEE Cc1ccc(/N=C/c2cc(C)n(-c3ccc(I)cc3)c2C)c(C)c1 59426289 DHSWEKWSBOBBHS-YDZHTSKRSA-N 428.317 6.066 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)CN1CCC(C(=O)OCC)CC1 100105759 GKBFUZRUAVSHOU-UHFFFAOYSA-N 438.697 5.859 30 10 IKEE Cc1ccc(/N=C2\S[C@@H](C(=O)Nc3cc(Cl)cc(Cl)c3)CC(=O)N2C)cc1C 100262484 VJQRYOYYMQTLHU-BJUXRVGASA-N 436.364 5.200 30 10 IKEE CCN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2O)S/C1=N/c1ccc(C(=O)O)cc1 100937703 OKDZUCWILASJPA-LJLXHGTCSA-N 437.304 5.021 30 10 IKEE CCCCCCCCCCn1c([C@H](C)NC(=O)c2ccc(Cl)cc2)nc2ccccc21 102221643 ONGJFWTWTVLVSF-FQEVSTJZSA-N 440.031 7.321 30 10 IKEE O=C1/C(=C/c2ccccc2Br)Oc2cc(OC/C=C\c3ccccc3)ccc21 102727903 BVTITMCTPLJMCT-NRIGHWBASA-N 433.301 6.158 30 10 IKEE N#C[C@H](NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc(F)cc1F 111218939 WFCYTUKXHUPJNW-KRWDZBQOSA-N 437.393 5.031 30 10 IKEE CCCN1C(=S)N[C@@H](c2ccc(OC)c(OC(C)C)c2)C(C(=O)c2ccccc2)=C1C 169928793 XQTVQTJWBSMIIV-QHCPKHFHSA-N 438.593 5.281 30 10 IKEE COc1c(Cl)cc(/C=N\Nc2nc(-c3ccc(F)cc3)cs2)c(OC)c1Cl 169943349 ZLWXXUZGKXZYMP-UYOCIXKTSA-N 426.300 5.719 30 10 IKEE CC(C)Oc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C2CCCC2)cc1 169979330 BPDHULWMYXBKHD-JOCHJYFZSA-N 439.939 5.648 30 10 IKEE CC(C)Oc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C2CCCC2)c1 169981464 XIYVPDIOXYIIFU-JOCHJYFZSA-N 439.939 5.648 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2cccnc2)cc1 170006077 RCQXSNOQBGAYHG-JOCHJYFZSA-N 432.907 5.389 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]2c2cccnc2)c1 170008864 JJGNCYXHWKNZLG-JOCHJYFZSA-N 432.907 5.443 30 10 IKEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccncc2)cc1 170016585 DFIUMYLPIXISJH-QFIPXVFZSA-N 432.907 5.641 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc(OCC)c2)c1 170039164 NDQRIZZITOXREC-DEOSSOPVSA-N 449.547 5.395 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(Cl)cc2)c(C)c1 170059648 FAIIIYMMAJDZEL-QFIPXVFZSA-N 439.939 5.568 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2cccc(O)c2)cc1C 170080692 ZGHAAZOOVXZSRF-QHCPKHFHSA-N 431.463 5.239 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccccc2C)c1 170088010 SUEDAAYVAKTOFR-HSZRJFAPSA-N 449.453 5.455 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)[C@@H]2c2ccco2)cc1C 170094929 SMWPAJSRXIEKFH-HSZRJFAPSA-N 431.488 5.467 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1c1cccc(Cl)c1 170106831 MEOBPJSRMVOTTL-FQEVSTJZSA-N 448.931 5.974 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2cccs2)c1 170158309 ORBVRSIMNOPCMH-QHCPKHFHSA-N 447.556 5.935 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC(C)C)c3)[C@@H]2c2ccccn2)cc1 170174208 FHDJTSMMVLXZEB-DEOSSOPVSA-N 442.515 5.208 30 10 IKEE Cc1ccc(C2=C(Nc3cccc4ccccc34)C(=O)N(c3ccc(C#N)cc3)C2=O)c(C)c1 170176223 RAIKAKAXOKLEGC-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1cccnc1)c1cc2cc(Cl)ccc2o1 170185010 NCSYOHAWZJYJEJ-NRFANRHFSA-N 448.837 5.403 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)c(Cl)c2)[C@@H]1c1ccccc1 170232973 YAXQHMKOBFULCU-IBGZPJMESA-N 448.346 5.771 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@H]1c1ccc(C(C)C)cc1 170245445 OEFRIPYBDQYMDW-XMMPIXPASA-N 435.564 5.833 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)c(C)c2)[C@@H]1c1ccccc1F 170253331 YKWTYHJTPSJRPM-QHCPKHFHSA-N 439.527 5.691 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C(C)C)c3)[C@@H]2c2ccco2)cc1 170283294 AWOOVFWVEIWXSC-DEOSSOPVSA-N 445.515 5.757 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccco2)cc1C 170285786 AONHCBNBMZCRGH-QHCPKHFHSA-N 431.488 5.305 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(C)o2)cc1C(C)C 170302775 GDYGSXDQDFUVCH-HSZRJFAPSA-N 431.488 5.503 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2cc(F)ccc2F)o1 170306188 OBDNXEWZSDMXNX-HXUWFJFHSA-N 427.378 5.097 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3cc(C)c(OC)cc3C)=C(O)C(=O)N2CCC)c1 170323740 IEKSASBWUZSLEH-QHCPKHFHSA-N 437.536 5.089 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1cccs1 170379486 CXZXAWVVUDGJMP-GOSISDBHSA-N 448.302 5.977 30 10 IKEE CC/C=C\C=C\[C@@H](O)[C@H](CC)NC(=O)CCCCCCCCCCCCCCCCC 200333306 QZJLSAMUWYASQV-UYPKWWAJSA-N 435.737 8.026 30 10 IKEE CCCCCCCCCCOc1ccc(/C=N/c2ccc(OCC)cc2)c2ccccc12 207134826 JAUGOIFHHCGRPT-JJKYIXSRSA-N 431.620 8.509 30 10 IKEE Cc1ccccc1N=C1S/C(=C\c2ccc(O)c(O)c2O)C(=O)N1c1ccccc1C 252605666 GLNJMEZRLIUPJR-XQVDRLQHSA-N 432.501 5.229 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(I)cc2)SC1=Nc1ccccc1 252633847 WHFMYQWZAVJVBL-FZECDQFNSA-N 446.313 5.081 30 10 IKEE Cc1cc(C)nc(NN=Cc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)n1 254766189 ZQCPAFMTPFGVKG-UHFFFAOYSA-N 438.531 5.697 30 10 IKEE CCC(C)(C)[C@H]1CCc2sc3ncnc(NN=Cc4cc(OC)ccc4OC)c3c2C1 254854996 BIQAKCCSGMCNET-INIZCTEOSA-N 438.597 5.696 30 10 IKEE CCOc1c(Br)cc(/C=C/B2OC(C)(C)C(C)(C)O2)cc1Br 396738683 NDNYMKJKEAWAEL-BQYQJAHWSA-N 431.961 5.255 30 10 IKEE C=CCCc1ccccc1NC(=O)[C@@H](C)SCc1nc(O)c2c(C)c(C)sc2n1 410352118 OELXMFCOGBENQN-OAHLLOKOSA-N 427.595 5.393 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 526488304 HOHRDRGVVNOJFJ-NRFANRHFSA-N 449.825 5.316 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@H]2c2ccc(O)c(Cl)c2)cc1 526488431 OKVVYSOJHRVMQK-OAQYLSRUSA-N 437.282 5.628 30 10 IKEE CC(C)Oc1cccc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2C#N)c1 526606724 NWSHSUVJFJLPNN-XMMPIXPASA-N 444.918 6.056 30 10 IKEE N#Cc1ccccc1NC1=C(Sc2ccccc2)C(=O)N(c2cccc(Cl)c2)C1=O 526657636 JUJRSNKSBWCIIL-UHFFFAOYSA-N 431.904 5.201 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(Nc2cccc(C#N)c2)=C(SCc2ccco2)C1=O 526666746 STYLABPTBVRKDW-UHFFFAOYSA-N 449.919 5.243 30 10 IKEE CCCCCOc1ccc(/C=N\n2c(CCCC)nnc2SCc2ccccc2)cc1 526800343 PTBPDQORHGUCHF-XHPQRKPJSA-N 436.625 6.364 30 10 IKEE CCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccc(Cl)cc2)cc1Cl 526807039 DCTDLZDEXWVRRO-FMCGGJTJSA-N 435.380 5.721 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1ccc(OC)cc1OC 526809730 SHNKHCAGVGLRRQ-MYYYXRDXSA-N 438.597 5.429 30 10 IKEE COc1cc(/C=N\n2c(C)nnc2SCc2cc(C)cc(C)c2)cc(Cl)c1OC 526810008 TVUSJJPBQQUBIY-KSEXSDGBSA-N 430.961 5.048 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1cc(OC)ccc1OC 526811610 PBCJNVOESIYCJV-QRVIBDJDSA-N 430.961 5.076 30 10 IKEE CC(C)c1ccc(/C=C/C(=O)[C@@H]2C[C@H](NC(=O)c3cc(Cl)cc(Cl)c3)CCN2)cc1 585854821 WVJBCMQAAJWWQD-PWGFJQMCSA-N 445.390 5.250 30 10 IKEE N#Cc1ccc(CN(Cc2ccccc2Cl)S(=O)(=O)c2cccc(Cl)c2)cc1 586168161 AYEGDKVGYPDTKD-UHFFFAOYSA-N 431.344 5.256 30 10 IKEE Cc1cc(C)cc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 586253869 ZORVTGGZOBZBRM-UHFFFAOYSA-N 432.589 5.868 30 10 IKEE Cc1ccc(C#N)cc1[C@](C)(CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 687753182 MVPKJSJNYRSCJT-MHZLTWQESA-N 440.499 5.095 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C#N)c1ncc(Br)cc1Br 698396921 HYTMHCXRIUQVKN-GXFFZTMASA-N 447.171 5.207 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1csc2ccccc12 710737637 MYIZDLFXRDJBDA-SFHVURJKSA-N 443.366 6.670 30 10 IKEE CC(C)c1ccc(/C(=N/OCc2cc(=O)c(OCc3ccccc3)cn2C)C2CC2)cc1 821229980 UAWPDNYGGYIMAY-DQSJHHFOSA-N 430.548 5.419 30 10 IKEE O=C(Oc1ccccc1C=Nc1ccc2ccccc2c1)c1sc2ccccc2c1Cl 1083960904 OVFHRQYMOSYSFX-UHFFFAOYSA-N 441.939 7.678 30 10 IKEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N(CC)Cc1nc(O)c2sccc2n1 1594498082 PYOPNCKSSAIANV-UHFFFAOYSA-N 442.633 5.206 30 10 IKEE CCN1C(=O)/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)SC1=Nc1ccccn1 1772730858 FEEPCHFXMHZGMJ-ZJRBDENDSA-N 449.963 5.938 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3c(Cl)cccc3Cl)o2)SC1=Nc1cccnc1 1772732300 WAKYCXZIIKCFST-PWSGBSGUSA-N 430.316 5.882 30 10 IKEE COc1cc(/C=C/C(=O)C(=O)Nc2c(C)cc(C)cc2C)ccc1OCc1ccccc1 1860728193 BBLKNCUAVXIKBG-ZRDIBKRKSA-N 429.516 5.420 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(C(C)C)cc1 1861552853 ONTARBABUUTLQX-YJRBMFNESA-N 448.651 6.027 30 10 IKEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)CCCOc1ccccc1C 1861707646 AHSZRPAXYCMTTC-AREMUKBSSA-N 432.649 5.696 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc(Cl)s1 1861741537 LHNCLUKEGNELHQ-SFHVURJKSA-N 438.996 5.358 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2cccc(OCC)c2)cc1 1862392833 HHHUTJCEOVAKCH-UUOWRZLLSA-N 435.564 5.805 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2Cl)cc1C 1862402848 IQXZEDUWJSIDFY-NRFANRHFSA-N 437.879 5.029 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(F)cc1 1862413895 NBUOFSMBSSHTFH-QFIPXVFZSA-N 445.481 6.043 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccccc1C 1862430005 ZVDZYOIIMCOVBH-WZONZLPQSA-N 439.983 6.586 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@H]2c2cccc(O)c2)c1 1862431008 XHJJLGHCHMONPT-JOCHJYFZSA-N 433.891 5.133 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@@H]1c1cccc(O)c1)c1ccccc1Cl 1862431012 XNIZVQRVORTLCV-HSZRJFAPSA-N 447.918 5.257 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc(Br)c1 1862439386 LMTFMHZCYGOXJF-KRWDZBQOSA-N 434.717 5.091 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CC2)cc1 1862454047 OJXOUZZRJLVGMR-QFIPXVFZSA-N 439.939 5.650 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1ccc(F)cc1F 1862515511 CEZBDIQZKTUOJG-QFIPXVFZSA-N 443.490 5.522 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(Cl)cc1 1862527122 PGWMGZBQLYCZIS-SGTLLEGYSA-N 448.744 5.479 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2cccc(Cl)c2)cc1 1862535538 FJHSZSKGZYPVIP-HSZRJFAPSA-N 449.909 5.820 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2C2CCCCC2)cc1 1862638272 XNVPGBMPJBGSCL-HSZRJFAPSA-N 437.511 5.308 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(C(C)(C)C)cc1 1862654378 ZOZCJJGLEOYYQK-AVRWGWEMSA-N 441.571 6.514 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(C(C)C)cc2)=C(O)C(=O)N1CCc1ccccc1 1862659660 BZMBCEVCPIOUCB-AREMUKBSSA-N 439.555 5.939 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc(O)cc2)cc1 1862663963 YZXMQENDDAETDU-VXWZWFMZSA-N 433.548 5.673 30 10 IKEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(C)c2)cc1 1862674142 KFFRTNTUBUANPW-BXKMTCNYSA-N 445.490 5.482 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862677096 YWWDUNDQFXOSGK-BXKMTCNYSA-N 445.490 5.564 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2cccc(C)c2)c1 1862699958 ZYILMVKBVKYZAH-RUZDIDTESA-N 441.527 5.215 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCCCN(C)C)cc1 1862713236 KDSMLOWSTHFLKZ-RUZDIDTESA-N 442.559 5.068 30 10 IKEE CSc1cccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(F)c(C)c3)C2=O)c1 1863097553 STCVSLILWHNDBW-UHFFFAOYSA-N 443.503 5.124 30 10 IKEE Cc1cc(C2=C(Nc3ccc(Cl)cc3C)C(=O)N(c3ccccc3C#N)C2=O)ccc1F 1863100414 MSBFQBJHQUIDIS-UHFFFAOYSA-N 445.881 5.364 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)c(F)c2)=C(c2ccc(OC)cc2)C1=O 1863331854 MCMIGDSXKZMTIO-UHFFFAOYSA-N 442.506 5.526 30 10 IKEE C=CCNC1=C(c2cccc3ccccc23)C(=O)N([C@H](C)c2ccc3c(c2)CCCC3)C1=O 1863591348 PTTWZXACSGWYER-LJQANCHMSA-N 436.555 5.335 30 10 IKEE CCCCCCCCCCNC1=C(c2ccccc2Cl)C(=O)N(C[C@H]2CCCO2)C1=O 1863771374 CTPDYSAEYSKBFN-LJQANCHMSA-N 447.019 5.329 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)CCCCCCCC)sc2c1 1866090376 HSWNLQQXUGPNQC-UHFFFAOYSA-N 449.642 5.348 30 10 IKEE Cc1cc(C)c(Cn2nnc(C#N)c2NC(=O)c2cccc(Oc3ccccc3)c2)c(C)c1 1870109740 HCTPUZUBLSFWAO-UHFFFAOYSA-N 437.503 5.168 30 10 IKEE CCCCCCCOc1cn(CCOC)c(CNc2ccc(C(C)(C)C)cc2)cc1=O 1870832422 VVDIDXFZRNPCNV-UHFFFAOYSA-N 428.617 5.754 30 10 IKEE C=CCn1cc(OCCOc2cccc3ccccc23)c(=O)cc1CNc1ccccc1 1871040546 RIJKWJIBPSSBCN-UHFFFAOYSA-N 426.516 5.257 30 10 IKEE C=CCn1cc(OCCc2ccc(OC)cc2)c(=O)cc1CNc1ccc(C(C)C)cc1 1871050751 FCNUOAFLFTXQNA-UHFFFAOYSA-N 432.564 5.400 30 10 IKEE COc1cccc(/C=C2\Oc3c(cc4c(c3C)OCN([C@H]3CCCC[C@@H]3C)C4)C2=O)c1OC 1871355963 ORGKQXNMWKEVLL-QKVAYCKHSA-N 449.547 5.359 30 10 IKEE Cc1c(OC(=O)CCc2ccc(Cl)cc2)ccc2c1O/C(=C\c1ccccc1F)C2=O 1871369032 WBQWMLFMVVFWCB-HMAPJEAMSA-N 436.866 5.942 30 10 IKEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O)c1ccc(C(F)(F)F)cc1 1871375941 LBPWKQVASILSRQ-JAIQZWGSSA-N 444.792 6.194 30 10 IKEE O=C(CC(c1ccccc1)c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1ccncc1)C2=O 1871381140 PWJFAENVQDWYPP-PKAZHMFMSA-N 447.490 5.825 30 10 IKEE COc1ccccc1/C=C1\Oc2c(ccc(OCCCOc3cccc(C)c3)c2C)C1=O 1871405003 KRCSUKRCBKGCRQ-UQQQWYQISA-N 430.500 5.776 30 10 IKEE Cc1cccc(OCCCOc2cc(C)c3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)c1 1871407051 WPYGDAFAYICIBY-PKAZHMFMSA-N 442.555 6.891 30 10 IKEE Cc1cc(OCC(=O)C(C)(C)C)cc2c1C(=O)/C(=C/c1ccc(Br)cc1)O2 1871419555 LTXLXKJZDUENSM-ZDLGFXPLSA-N 429.310 5.368 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4c(C)cccc4C)c3C)C2=O)cc1 1871440178 BAMJWASIULRAAW-UCQKPKSFSA-N 443.499 5.254 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871450568 JBCMBAQWURFRTI-SGMWPGOQSA-N 445.515 6.044 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cc(C)ccc4C)ccc3C2=O)cc1 1871460467 NTMAHSZGYKDOEC-QFEZKATASA-N 443.499 5.336 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc3n[nH]cc3c2)[nH]c(N(CC)CCCC)n1 1871629347 HKGFMGSJCASBQX-UHFFFAOYSA-N 438.624 5.312 30 10 IKEE CCCCCCCCN=c1[nH]c(=NCCCCCCCC)[nH]c(=Nc2ccccc2C)[nH]1 1871737335 BXCRDDKJPUQNRJ-UHFFFAOYSA-N 440.680 5.734 30 10 IKEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1cccs1 1872089251 JZSAPIUZWMBKMJ-HXUWFJFHSA-N 434.627 5.075 30 10 IKEE C=CCN([C@H](CCC)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872444557 IRDMIJSTZJTOKX-XMMPIXPASA-N 442.625 5.411 30 10 IKEE CCCCCCCCN1C[C@@H](C(=O)N(CCCC)C[C@@H]2CCCN3CCCC[C@H]23)CC1=O 1872994090 UGAPKJIPMNHWEA-CCDWMCETSA-N 447.708 5.089 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccc(C)c(C)c3)n2/N=C/c2cccs2)c1 1874330775 DXPLKEROHMXSHQ-WGOQTCKBSA-N 446.645 6.225 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1cccc(OC)c1OC 1874342193 DYQCEEFWYXUALM-ZMOGYAJESA-N 442.972 5.090 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3ccccc3F)nnc2-c2ccccc2Cl)c1 1874365894 ZVRLGWUMWDFASF-VULFUBBASA-N 436.943 6.221 30 10 IKEE Cc1cccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCc2ccc(F)cc2)c1 1874378157 HAGKJVSGDQGUAL-JFLMPSFJSA-N 434.515 5.630 30 10 IKEE COc1cc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2C)ccc1O 1874416302 JDEOCZUMZPZADC-WGOQTCKBSA-N 444.560 5.066 30 10 IKEE COc1ccc(OC)c(/C=N/n2c(SCc3ccc(C)cc3)nnc2C2CCCC2)c1 1874451678 LCUNABINEXCMBG-MFKUBSTISA-N 436.581 5.436 30 10 IKEE Cn1cc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C2CCCC2)c2ccccc21 1874452279 NMKDHLVKYUCSST-VULFUBBASA-N 433.556 5.741 30 10 IKEE CC(C)(C)c1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2C2CCCC2)cc1 1874454957 UFFRLZIWSJJHCV-JVWAILMASA-N 436.600 6.547 30 10 IKEE CCCSc1nnc(C2CCCC2)n1/N=C/c1ccc(N(CC)Cc2ccccc2)cc1 1874456516 ANLKHZCOXLYMRZ-ZXVVBBHZSA-N 447.652 6.347 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2C(F)(F)F)c1 1874461917 IIMHBOPHUHEJIO-PGGKNCGUSA-N 445.297 6.087 30 10 IKEE Cc1ccc(CSc2nnc(C(C)(C)C)n2/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1874481075 LTBKOLSMXIBSFJ-FSJBWODESA-N 443.960 5.620 30 10 IKEE CCN(CC)c1ccc(/C=N/n2c(SCc3ccccc3C)nnc2C(C)(C)C)cc1 1874483248 LRYJWZPUJLOSTM-YZSQISJMSA-N 435.641 5.905 30 10 IKEE CCOc1cc(/C=N/n2c(SCC)nnc2C2CCC2)ccc1OCc1ccccc1 1874492952 NYYJBKSNXQAPDP-PCLIKHOPSA-N 436.581 5.518 30 10 IKEE Fc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C2CCC2)cc1 1874497711 WXAXCBAAUDKFJA-BHGWPJFGSA-N 435.355 6.166 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccccc1[N+](=O)[O-] 1874508809 WOPNAVFQAHRPOE-BUVRLJJBSA-N 431.521 5.467 30 10 IKEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3CC)nnc2C(C)C)cc1 1874511747 NGSHYBVKHGOYRE-MFKUBSTISA-N 435.597 5.139 30 10 IKEE Fc1ccccc1CSc1nnc(C2CC2)n1/N=C/c1ccc(Br)cc1 1874519981 VLWFTHIHRINIKW-SSDVNMTOSA-N 431.334 5.232 30 10 IKEE C=C(C)CSc1nncn1/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1874537179 QTFULGCMYFOIEL-YSURURNPSA-N 433.364 5.714 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2cc(C)ccc2C)c1OCC(=O)Nc1ccccc1 1874580230 DGENUISDVDHNRO-VAWYXSNFSA-N 449.934 5.879 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(F)cc2)c1OCc1c(F)cccc1Cl 1874583698 AZNVQOJHXOOLOA-JXMROGBWSA-N 449.280 6.755 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc1OCc1cccc(C)c1 1874598068 RXAGTQRBVVWFFQ-JLHYYAGUSA-N 444.571 6.785 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(OC)c1OCc1cccc(F)c1 1874614213 KVRMYADGUNTTEE-MDWZMJQESA-N 436.910 6.691 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Br)c1OCc1ccc(F)cc1 1874614844 SSWOTIXZJQOLAU-FMIVXFBMSA-N 441.296 6.072 30 10 IKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1 1874622574 JYNVMJXMICUSLU-OQLLNIDSSA-N 447.962 6.551 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OCC(=O)Nc1cccc(C)c1C 1874625769 VKABWYOTKQIWKP-RIYZIHGNSA-N 447.506 5.755 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc(OC)c1OCCC 1874628339 YHZQMURAIZJSDB-SFQUDFHCSA-N 428.528 6.901 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OCc1ccccc1C 1874638065 HCNBOBFUWYHKPJ-YRNVUSSQSA-N 427.327 6.786 30 10 IKEE C=C(C)COc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)cc1Br 1874639577 GPPYIRZYGJAQLU-RMKNXTFCSA-N 447.325 5.326 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccc(F)c(C)c3)c2)cc1C 1874696075 HHXOEWZYWCNFSN-UXBLZVDNSA-N 448.490 5.504 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cccc(OC(=O)[C@H](C)Oc2ccc(C(C)C)cc2)c1 1874698513 AETCYNMTMRUPSL-KZFLWGQDSA-N 444.527 6.088 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OC(=O)CSc1ccccc1 1874700821 ONIABWRSGULXSY-NTUHNPAUSA-N 438.932 5.942 30 10 IKEE CCCCC1CCC(C(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)c2)CC1 1874706165 SMSBMPGHHMBEGA-GXDHUFHOSA-N 448.559 6.256 30 10 IKEE CCCCC1CCC(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c(C)c3C)c2)CC1 1874712027 NRXSQYCAEXWIFE-GHRIWEEISA-N 448.603 7.110 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cccc(Br)c3)c2)cc1C 1874714022 AAFULIFDTRSMIO-ZRDIBKRKSA-N 435.317 6.181 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccncc3)c2)c(OCC)c1 1874714909 TUECMXVBESMCDS-UXBLZVDNSA-N 447.487 5.003 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccncc2)c(Cl)c1)c1ccc(-c2ccccc2)cc1 1875078571 RFUFIRHYXFGYIP-WUXMJOGZSA-N 439.898 6.517 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)c1ccccc1 1875111456 IVQPIGCKPCCDEN-VAWYXSNFSA-N 427.283 6.117 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(F)cc1 1875116111 LXFGGFUCPWATOD-QLKAYGNNSA-N 435.407 5.248 30 10 IKEE CCCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OC 1875126917 ZQLXAJKNLRJDGX-BJMVGYQFSA-N 437.717 5.713 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)Cc1ccc(C)cc1 1875131766 MXTQNWLKWWWFTJ-ACCUITESSA-N 444.527 5.673 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(Br)cc3)cc2)cc1 1875132589 VQZZBARGHWFKFK-OVCLIPMQSA-N 435.317 5.802 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2Cl)cc1 1875139716 WRBHHSVGLBFIJQ-XYOKQWHBSA-N 434.919 6.010 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OC(=O)CC1CCCCC1 1875164161 WBWPHNVPIWJVCT-XYOKQWHBSA-N 428.475 6.135 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccs3)c(Cl)c2)c(C)c1C 1875167683 KVNBYHREAMEXOA-RMKNXTFCSA-N 426.921 6.142 30 10 IKEE CCOc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc([N+](=O)[O-])c1OC(=O)CC 1875169112 JXAOKILPXRNJIY-MDZDMXLPSA-N 425.481 5.439 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3)c(Cl)c2)cc1Cl 1875187762 WKNBQUIOMWFGHL-JXMROGBWSA-N 441.310 6.046 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 1875191982 OAWYNGUDSCFEQY-YRNVUSSQSA-N 437.835 5.372 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1cc(Cl)c(OC(=O)c2ccco2)c(OC)c1 1875192025 QHDXBVSMAAUYPN-FNORWQNLSA-N 447.270 5.719 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](O)c1ccc(NC(=O)OC(C)(C)C)cc1 1922056368 DKVPOZFNIGEQJM-DNQXCXABSA-N 440.584 5.208 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCCC2(CCC2)[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CC1 1924816545 DVAVWTILCSICHL-MZNJEOGPSA-N 433.593 5.143 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C1 1949194489 PLUMOPNHTTZADN-HSZRJFAPSA-N 447.601 5.169 30 10 IKEE C=C([C@H](NCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)C(C)(C)C 1997461934 PSCBBDAWCUGMBM-BKMJKUGQSA-N 430.633 5.411 30 10 IKEE C=C(COCc1ccccc1)[C@@H](N)c1ccc(NC(=O)OC(C)(C)C)c(C(F)(F)F)c1 2005294388 CRKOITZQBOMHTG-HXUWFJFHSA-N 436.474 5.825 30 10 IKEE CC[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(C)c1 2014649576 ZBZOKRBMIOFJBF-YADARESESA-N 429.561 5.418 30 10 IKEE CC[C@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2C)CN1C(=O)OC(C)(C)C 2040669132 XNXLQVGREVHCBJ-DFBJGRDBSA-N 443.588 5.808 30 10 IKEE N#C[C@H](NC[C@@H]1CCCO1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071261502 VTAPLYRONPBAEP-DQEYMECFSA-N 428.532 5.178 30 10 IKEE ON=Cc1c(C(F)F)nn([C@@H](c2ccc(C3CCC3)cc2)C2CCC2)c1Br 2080004819 GHVQRBKLKSFHEX-GOSISDBHSA-N 438.316 6.048 30 10 IKEE CC(C)Oc1ccc([C@@H](C(C)C)n2nc(C3(C)CC3)c(C=NO)c2Br)cc1 2080058202 UTUFNICMZSZCRA-GOSISDBHSA-N 434.378 5.538 30 10 IKEE Cc1cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)sc1Br 2082334982 AYOIEPZGLATOBX-AWEZNQCLSA-N 425.323 5.965 30 10 IKEE C=CCN(CC[C@H](Cc1cc(Br)ccc1C)NCC)C(=O)OC(C)(C)C 2099286862 CWOSVSHCSOIXGN-LJQANCHMSA-N 425.411 5.091 30 10 IKEE CCC1(Nc2cc(Br)c(C#N)cc2F)CCN(C(=O)OC(C)(C)C)CC1 2105997133 SMZXTGIBKKIQDE-UHFFFAOYSA-N 426.330 5.051 30 10 IKEE C[C@H](C[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br)C(F)(F)F 2121445577 SDPULYPXAXOUIC-PXAZEXFGSA-N 435.284 6.061 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1c1ccc(Br)cc1C#N 2174813633 YMTAOKYFLCJYCV-RTBURBONSA-N 434.378 5.079 30 10 IKEE CCCCCCC[C@@](C)(CO)N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CCC1 2211050757 PFZXYGAFXWZDNS-LJAQVGFWSA-N 449.635 6.902 30 10 IKEE C=C1C[C@@H]1C[C@H](NCCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237414704 CXJHJVBVRNMJIA-YZGWKJHDSA-N 437.422 5.219 30 10 IKEE C=CCCCCCCCC[C@H](O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2256697961 AMWNPYCGYGRKRT-DEOSSOPVSA-N 445.644 6.108 30 10 IKEE C=C(COCc1ccccc1)[C@H](CCCCCCCCCNC(=O)OC(C)(C)C)NCC 2257273798 SWUAHHVTFBZNMG-VWLOTQADSA-N 446.676 6.383 30 10 IKEE C=C[C@]1(Oc2nc3ccc(Br)cc3s2)CCN(C(=O)OC(C)(C)C)C1 2264302613 YRHZKOWMFYGLAK-SFHVURJKSA-N 425.348 5.003 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](Nc2ccc(C#N)cc2Br)C[C@H]2CCCC[C@H]21 2279521392 KPBZNMUVGDBEIP-GPMSIDNRSA-N 434.378 5.301 30 10 IKEE CC1(C)OB(c2csc(C(=O)Nc3ccc(Cl)c(Cl)c3)c2Cl)OC1(C)C 2282643394 ZZZIBVKRHGWDGD-UHFFFAOYSA-N 432.565 5.260 30 10 IKEE C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNc2c(Br)cccc2C#N)cc1 2285155650 JRKBUXHCMWOFCW-AWEZNQCLSA-N 430.346 5.519 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1c(F)cccc1Br)NCCC 2289755213 ZGUUCAHLKDWZJZ-RTBURBONSA-N 443.401 5.358 30 10 IKEE C=CCC[C@H](C)[C@H](OCCC(=O)O)c1cc(Br)c(Br)s1 2291014557 FMFRBDFXKASTOR-ZANVPECISA-N 426.170 5.408 30 10 IKEE C=C(COCc1ccccc1)[C@@](C)(Cc1ccc(Br)cc1)OCCC(=O)O 2292200006 FYFRXBGRPYBJNC-JOCHJYFZSA-N 433.342 5.015 30 10 IKEE CCCCN(C[C@@H](C#Cc1cccc(Br)c1)NCCC)C(=O)OC(C)(C)C 2296219212 LZLQYVPCRLPLSA-HXUWFJFHSA-N 437.422 5.206 30 10 IKEE CCCCCCCc1ccc(C=Cc2nc(C3CCC(CCCCCC)CC3)no2)cc1 2297555669 UWIOXUNFJMZIPB-UHFFFAOYSA-N 436.684 8.997 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CC[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2313030007 FDVJHXYMFULBNR-JMQJIOGXSA-N 441.572 5.404 30 10 IKEE CCOc1ccc(C=CC(=O)c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 2314429877 QUFNKUUGFZFPIE-UHFFFAOYSA-N 428.528 6.498 30 10 IKEE CC(=C1SC(=Nc2nnc(C)s2)N(C2CCCCC2)C1=O)c1ccc(Cl)cc1 2314547532 JRVAFOQRCPFKTO-UHFFFAOYSA-N 433.002 5.827 30 10 IKEE Cc1ccc(O)c(C=Nn2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CC2)c1 2320892207 WGVLFSPNVPERKM-UHFFFAOYSA-N 433.364 5.651 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OCc3ccc(Cl)c(Cl)c3)c2C)C1=O 2321790306 SWYAMAICPGQJCY-UHFFFAOYSA-N 425.311 6.805 30 10 IKEE Cc1c(OCc2ccc(F)cc2Cl)ccc2c1OC(=Cc1ccccc1Cl)C2=O 2321863043 UOXHPLAAYWPDIL-UHFFFAOYSA-N 429.274 6.636 30 10 IKEE Sc1nnc(C2CCCCC2)n1N=Cc1ccc(OCc2cccc(Cl)c2)cc1 2321888414 WGHSTBLDGIPPLF-UHFFFAOYSA-N 426.973 5.729 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc4c3CN(CCC3=CCCCC3)CO4)C2=O)cc1 2322106826 ZTLSWIWLAQDTGQ-UHFFFAOYSA-N 431.532 5.744 30 10 IKEE CCOc1ccccc1C=C1Oc2c(cc3c(c2C)OCN(Cc2ccc(F)cc2)C3)C1=O 2322347593 WZWZXCRYQRSEMB-UHFFFAOYSA-N 445.490 5.501 30 10 IKEE COc1ccc(OC)c(C=C2Oc3c(cc4c(c3C)OCN([C@H]3CCCC[C@H]3C)C4)C2=O)c1 2322391645 KFPCLAHVMHMLHM-ZHRRBRCNSA-N 449.547 5.359 30 10 IKEE O=C(C=Cc1cc(Br)ccc1OCCc1ccccc1)c1cccc(Cl)c1 2322521660 HYUZUGSOOKIQRY-UHFFFAOYSA-N 441.752 6.620 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2c(F)cccc2Cl)cc1 2322565219 HMFBKGRPYIEBEV-UHFFFAOYSA-N 440.898 6.362 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccc(C)cc1 2322591427 AXTLNVMRWZKWNL-UHFFFAOYSA-N 449.550 6.624 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1OCc1ccccc1C 2323073173 PYZALHXPSDZNEZ-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2cccc(OCc3c(Cl)cccc3Cl)c2)cc1 2323211479 DSTNIJPYLPRXCV-UHFFFAOYSA-N 425.355 7.592 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1OCC(=O)Nc1cc(C)ccc1C 2323280098 NYNRGSOOMJDVGP-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cccc(OCc2cccc(Cl)c2)c1 2323289214 NMHYLIWLYPDDGP-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1OCc1cccc(Cl)c1 2323302688 KHJQQIJAXYLZJY-UHFFFAOYSA-N 448.990 7.430 30 10 IKEE O=C(C=Cc1ccc(Cl)cc1)Oc1ccc2c(c1)OC(=Cc1ccccc1Cl)C2=O 2323318450 NBSSFSMLFMELHP-UHFFFAOYSA-N 437.278 6.228 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(Cl)c1OCCc1ccccc1 2323417308 VYMOCLQOLNDCHL-UHFFFAOYSA-N 446.974 6.745 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(Br)c(OCCC)c(OC)c2)cc1 2323552978 IBBKORSRNMWCPN-UHFFFAOYSA-N 431.370 6.485 30 10 IKEE Cc1cc(OC(=O)c2ccc(OCC(C)C)cc2)cc2c1C(=O)C(=Cc1ccccn1)O2 2323635405 XEGZLZGVWXDSFB-UHFFFAOYSA-N 429.472 5.260 30 10 IKEE Cc1cccc(C=C2Oc3cc(OC(=O)c4cccc(OC(C)C)c4)cc(C)c3C2=O)c1 2323809218 MDWJZFKLXGCOTM-UHFFFAOYSA-N 428.484 5.926 30 10 IKEE CCN(Cc1ccccc1)c1ccc(C=NNc2nc(-c3ccccc3)c(C)s2)cc1 2323872478 CTOKLICSHHJLNO-UHFFFAOYSA-N 426.589 6.591 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OCC(=O)Nc1ccc(C)cc1 2323959763 XRIKOKYDHITLMV-UHFFFAOYSA-N 443.543 5.924 30 10 IKEE Cc1ccccc1OCCCCOc1ccc2c(c1)OC(=Cc1ccc(N(C)C)cc1)C2=O 2324595427 CPTUVLCXLZQBTG-UHFFFAOYSA-N 443.543 5.915 30 10 IKEE Cc1cc(OCc2ccc(C(=O)OC(C)C)cc2)cc2c1C(=O)C(=Cc1cccc(F)c1)O2 2324606045 OWYRXYASOZEBJI-UHFFFAOYSA-N 446.474 5.895 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OCCOc4ccc(Cl)cc4)c3C)C2=O)cc1 2324666358 VXDRHDBFFOWAJX-UHFFFAOYSA-N 434.919 6.285 30 10 IKEE COc1ccc(OCCOc2ccc3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1 2324675601 YEPDOFVHNPCEKW-UHFFFAOYSA-N 430.500 5.893 30 10 IKEE Cc1c(OCC(=O)Nc2ccc3ccccc3c2)ccc2c1OC(=Cc1ccccc1)C2=O 2324960315 CUZUBSWAVYBQFW-UHFFFAOYSA-N 435.479 5.782 30 10 IKEE COc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccc(C)cc2)cc1 2325470955 YDZWGBJKFPXXEL-UHFFFAOYSA-N 428.561 5.360 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2325541128 DVXOVHHXYVSRAX-UHFFFAOYSA-N 429.933 5.275 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(OC(=O)C(C)C)c(OC)cc2Br)cc1 2325705203 RXPOIJISLOMOOR-UHFFFAOYSA-N 431.326 5.478 30 10 IKEE CCOc1cccc(C=Nn2c(COc3ccc(Cl)cc3Cl)nnc2SC)c1 2325906925 GCOAQCGJSRCMBW-UHFFFAOYSA-N 437.352 5.167 30 10 IKEE C=CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1cc(C)ccc1O 2326137011 XEOVRQUZDUCJFT-UHFFFAOYSA-N 442.972 5.302 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccccc1OCc1ccccc1 2326350483 SHHIQECXPBSDOE-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc3ccccc23)n1N=Cc1cc(C)ccc1O 2326600162 ZXSABNJFIXDMSW-UHFFFAOYSA-N 442.588 5.781 30 10 IKEE CCCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(OC(C)C)c(Cl)c1 2326733655 DVPGPNAVMAIING-UHFFFAOYSA-N 446.979 5.985 30 10 IKEE C=C(C)CSc1nnc(CCOc2ccccc2)n1N=Cc1ccc(N(CC)CC)cc1 2329190000 SRQZAJFQWCRFFL-UHFFFAOYSA-N 449.624 5.296 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccc(C)c(C)c3)n2N=Cc2ccco2)c1 2329428596 SLMFDQBBZNACEE-UHFFFAOYSA-N 430.577 5.870 30 10 IKEE Cc1cccc(CSc2nnc(CCc3cccs3)n2N=Cc2ccc(F)cc2)c1 2329641071 KJPMCUWSCIVBJC-UHFFFAOYSA-N 436.581 5.747 30 10 IKEE Cc1ccccc1C=Nn1c(Cc2ccccc2F)nnc1SCc1cccc(F)c1 2329722521 DITVEPNGIHEMBX-UHFFFAOYSA-N 434.515 5.630 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@H](C)c3ccccc3)n2N=Cc2ccc(O)cc2)c1 2330109636 KWVPCMTXPVXEGZ-HXUWFJFHSA-N 442.588 5.927 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc(-c2cccs2)n1N=Cc1ccccn1 2330591944 IGVUUWHXHNJPEK-UHFFFAOYSA-N 446.388 5.883 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccccc3C)nnc2-c2ccccc2)cc1O 2330638203 GPTJBEKUIDOJHP-UHFFFAOYSA-N 430.533 5.142 30 10 IKEE Cc1ccccc1CSc1nnc(CC(C)(C)C)n1N=Cc1cn(C)c2ccccc12 2330808628 GCNBIKSDYNALSD-UHFFFAOYSA-N 431.609 5.841 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cccs3)c([N+](=O)[O-])c2)cc1 2330833396 HXIZAZPRDVDORY-UHFFFAOYSA-N 449.528 6.043 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1ccc(Cl)cc1 2331509644 BPVCBWXACFIZAP-UHFFFAOYSA-N 434.919 6.587 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3cccc(F)c3)cc2)cc1C(C)C 2331571830 VYSZZXPVWJQDOC-UHFFFAOYSA-N 432.491 6.381 30 10 IKEE CCCSc1nnc(C(C)C)n1N=Cc1ccc(OCCc2ccccc2)c(OC)c1 2331705671 WSTGNWKRDARTBN-UHFFFAOYSA-N 438.597 5.416 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Br)c1OC(=O)CC 2331711475 PAIRJKPXZQXDFE-UHFFFAOYSA-N 431.326 5.676 30 10 IKEE Cc1cccc2c1N(c1ccc(Br)cc1C#N)CCN2C(=O)OC(C)(C)C 2381011430 UMZTVADAHXWPCD-UHFFFAOYSA-N 428.330 5.522 30 10 IKEE C=C(C)COc1cccc(NC(=S)NC(=O)c2ccc(OCCc3ccccc3)cc2)c1 9697489 IDBUAEURXCVHET-UHFFFAOYSA-N 446.572 5.390 30 10 IKEE C=CCN1C(=O)[C@H](C)Oc2cc(NC(=O)CC(c3ccccc3)c3ccccc3)ccc21 12169601 FDTUYXKZKJRGJB-IBGZPJMESA-N 426.516 5.147 30 10 IKEE Cc1ccc([C@H]2C3=C(C[C@@H](c4ccc(Cl)cc4)CC3=O)Nc3nc4ccccc4n32)cc1 19630845 KCMFTPKDKRHZFW-BCHFMIIMSA-N 439.946 6.414 30 10 IKEE COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)cc1O 21220747 QSKLVSSAEVUZSJ-QLXKLKPCSA-N 430.479 5.519 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(O)c2)cc1 21221140 RGMRRUXTHITNOC-XHCCPWGMSA-N 426.516 5.770 30 10 IKEE CCOc1c(OC)cccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1cccs1)C2 21221611 WWPNMKVNGFTJEV-IVCQMTBJSA-N 446.572 6.135 30 10 IKEE C=CCCC(O)(CCC=C)c1ccc(CN(CCC)Cc2cc(OC)cc(OC)c2)o1 36167639 BTINDNSPJWGUSF-UHFFFAOYSA-N 427.585 5.829 30 10 IKEE C=CCN(CC(=O)N1N=C(c2cc(C)ccc2C)C[C@@H]1c1cccc(F)c1)C1CCCC1 36342758 YKKMEFQUWZXNGN-AREMUKBSSA-N 433.571 5.551 30 10 IKEE C=CCOc1ccc([C@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCC)cc1OCC 39910521 RPJBPQTWYAZGEW-QHCPKHFHSA-N 447.531 5.329 30 10 IKEE C=CCOc1ccc([C@H]2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2CCCC)cc1 39911901 DYKSDDNXIPLBCY-DEOSSOPVSA-N 431.536 5.309 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC/C=C/c4ccccc4)cc(C)c3C2=O)cc1OC 41436310 LXHNOICZFMSNQF-QFUIXIOLSA-N 428.484 5.721 30 10 IKEE COc1ccc(C(=O)/C=C\c2ccc(OC)c(CSc3nc4ccccc4[nH]3)c2)cc1 50568133 CXGDABXXZBWRFX-QPEQYQDCSA-N 430.529 5.769 30 10 IKEE Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1/C=N/N(Cc1ccccc1)c1ccccc1 59160517 MGHUIQLYWVAMSH-YZSQISJMSA-N 425.492 5.438 30 10 IKEE Cc1ccc(/N=N/C(=N/Nc2ccc(C)cc2)c2ncc(C(F)(F)F)cc2Cl)cc1 100142878 XKWBOQVHSLRVGV-ZUKOYYRFSA-N 431.849 6.928 30 10 IKEE CC[C@@H](C)c1ccc(OCC(=O)N(CCC#N)CCc2ccccc2)c(Br)c1 100438207 CYYQUKPRASDOAM-GOSISDBHSA-N 443.385 5.326 30 10 IKEE Cc1nc(N2C(=O)C(=O)/C(=C(\O)c3ccc(Cl)cc3)[C@@H]2c2cccs2)sc1C 102904716 RQNQQYQBGQKQKM-SCDSTIRESA-N 430.938 5.101 30 10 IKEE Cc1cc(C)c2nc(N3C(=O)C(=O)/C(=C(\O)c4ccco4)[C@@H]3c3ccccc3)sc2c1 103229551 RLERMIWFBYDRCK-HUZQBFDWSA-N 430.485 5.132 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/Nc2ccc(OC)c(Cl)c2)c(Cl)c1 169877190 KJDUYJJCNGFKCV-YZSQISJMSA-N 437.411 7.577 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C)c2)cc1 169922943 OMSKDSCCBJGXGW-QFIPXVFZSA-N 433.891 5.440 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2cccc(OC)c2)cc1 169932545 PVATYVSOWLBNJG-RUZDIDTESA-N 441.527 5.657 30 10 IKEE CCN1C(=S)N[C@@H](c2cccc(OCc3cccc(Cl)c3)c2)C2=C1CCCC2=O 169932909 SHXKPJOCZATOME-QFIPXVFZSA-N 426.969 5.177 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccc(C)cc2C)c1 169935490 QHBNQLZQNRKXMN-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE CCOc1cc([C@@H]2NC(=S)N(C)C(C)=C2C(C)=O)ccc1OCc1cccc(Cl)c1 169937004 AVRFEIQEOWKAGK-QFIPXVFZSA-N 444.984 5.042 30 10 IKEE COc1ccc(-c2csc(N/N=C\c3cccc(OC)c3OCc3ccccc3)n2)cc1 169940537 RTQZEJFIXKXGOL-YSMPRRRNSA-N 445.544 5.852 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2cccc(C)c2)cc1 169967689 UDRJOJZYUMCCRT-VWLOTQADSA-N 441.527 5.910 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2cccs2)cc1 169984893 BQQZTDHPLWMPBW-QFIPXVFZSA-N 444.512 5.411 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2cccs2)cc1 169988291 HBXGOFACMVKLIR-FQEVSTJZSA-N 441.455 5.208 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1ccc(F)cc1)c1cc2ccccc2o1 170064294 RYCMCQKHHKDXKV-JOCHJYFZSA-N 449.384 5.633 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1cccc(C)c1 170147570 NYELUEAQCQGRHQ-XMMPIXPASA-N 433.592 6.369 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2cccs2)cc1C 170158040 PVHPQYMCZBENTJ-FQEVSTJZSA-N 434.473 5.056 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2cccs2)c1 170158556 NCAYDELEALUFGJ-QFIPXVFZSA-N 431.513 5.083 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2cccs2)cc1 170160787 UGYOLBNNOCQTBL-QFIPXVFZSA-N 433.529 5.547 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccncc2)cc1C(C)C 170211934 WKQLAUBOHUEIBQ-HSZRJFAPSA-N 434.536 5.125 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccccc2)cc1C 170223187 JAJCFJKLRYMQBS-QFIPXVFZSA-N 435.426 5.065 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccccc2)ccc1OC(C)C 170224699 ZETZRGLFMULQSI-XMMPIXPASA-N 443.499 5.271 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@H]1c1c[nH]c2ccccc12 170256181 ZJTZPTSBGDMKPA-XMMPIXPASA-N 446.547 5.644 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccccc2C)c1 170271494 KMAROUHYOILAJO-AREMUKBSSA-N 433.507 6.240 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccco2)ccc1Br 170286165 XWOOTDKWSSTFID-IBGZPJMESA-N 438.277 5.133 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2cccc(F)c2)o1 170299050 PSWLBVHSZRZDKX-JOCHJYFZSA-N 435.451 5.297 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2c2ccccc2)o1 170302840 YNPZHLHZFHUCKB-HSZRJFAPSA-N 431.488 5.406 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2nc3cc(F)c(F)cc3s2)[C@H]1c1cccs1 170477031 ZFPSPNAVNIIPLX-HNNXBMFYSA-N 434.489 5.151 30 10 IKEE N#Cc1c(NC(=O)CCC(=O)c2ccc(F)cc2)oc(-c2ccccc2)c1-c1ccccc1 170494067 FKXZIFABHZKKPG-UHFFFAOYSA-N 438.458 6.226 30 10 IKEE C[C@H](NC(=O)CSc1nc2ccc(N=Cc3ccc(F)cc3)cc2s1)c1ccccc1 252597735 CUNJYZJOJJYKJT-INIZCTEOSA-N 449.576 6.156 30 10 IKEE O=C1/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)SC(=Nc2ccccc2)N1c1ccccc1 254379818 JSBIVTUUISRGHS-WWOPGPQISA-N 445.456 5.132 30 10 IKEE Cc1ccc(C(=NO)c2ccc(OCCOc3cccc(Br)c3)cc2)cc1 254824204 IFRNCZWEQREUMC-UHFFFAOYSA-N 426.310 5.442 30 10 IKEE CCCCCCCCCC(=O)Oc1ccc(N=Nc2ccc(C(=O)CCCC)cc2)cc1 256136248 NRZWTVDAZMMIMS-UHFFFAOYSA-N 436.596 8.521 30 10 IKEE C=CCCCCC[C@H](NCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 406251491 UBPNKKYNSHJMSW-SFHVURJKSA-N 425.411 6.583 30 10 IKEE COc1ccc(OC)c([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 526487944 HWBWFWAQXFKXGL-QHCPKHFHSA-N 446.890 5.286 30 10 IKEE Cc1ccc([C@@H]2C(c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2c2ccc(C#N)cc2)o1 526488797 CCWRSEUDPQDCJI-HXUWFJFHSA-N 425.271 5.824 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(N(C)C)cc1 526707061 CSNIVMNOHPLTPD-HSZRJFAPSA-N 446.934 5.497 30 10 IKEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1cccc(Cl)c1Cl 526809316 IMQDSWXFRQQQGH-MSXFZWOLSA-N 433.408 6.329 30 10 IKEE CCCCCOc1ccc(/C=N\n2c(CC)nnc2SCc2cc(C)ccc2C)cc1 526819079 OEMXRBSGDWCTGC-ONUIUJJFSA-N 436.625 6.201 30 10 IKEE CCCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1ccc(C(C)(C)C)cc1 526819481 WWOBRTGHGDAJDD-PKAZHMFMSA-N 434.653 6.710 30 10 IKEE CCCOc1ccccc1/C=N\n1c(CC)nnc1SCc1cccc2ccccc12 526821433 SJXJAAAOLVCBMF-ONUIUJJFSA-N 430.577 5.957 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1cccc(C(F)(F)F)c1 526822593 LUCZFRBHVYIWLA-VYYCAZPPSA-N 443.498 5.686 30 10 IKEE CCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1cc(Br)ccc1O 526825098 JHCHQZJVUXZQDW-JJFYIABZSA-N 449.349 5.012 30 10 IKEE C[C@@H]1CCCC[C@@H]1N(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(Br)cc1 586127008 VYDAOBWLPJDUIP-IERDGZPVSA-N 447.398 5.090 30 10 IKEE C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(CCCCCC)cc1 586231823 VZGUINPDAUSBAN-UHFFFAOYSA-N 425.516 6.210 30 10 IKEE C#CCCCCC[C@@H](NCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 686712122 QJLCMTFUGPHMOQ-XMMPIXPASA-N 441.660 5.108 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1ccc(Cl)cc1F 698460459 ZKUZLJRHSAHZCJ-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE C[C@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)CN1C(=O)OC(C)(C)C 698882674 FJASQLHULSSGDK-QMHKHESXSA-N 449.979 5.763 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 710819115 FQYYHVKDLLVKEV-QMHKHESXSA-N 449.979 5.621 30 10 IKEE CCOc1cc(C=Nc2ccccc2)ccc1OC(=O)c1sc2ccccc2c1Cl 1084005615 APRWWJYHZJFGBP-UHFFFAOYSA-N 435.932 6.923 30 10 IKEE C(=N/c1ccc(-c2ccc(/N=C/c3nc4ccccc4[nH]3)cc2)cc1)\c1nc2ccccc2[nH]1 1088674884 DNNFFYKUTGYJQM-YAGSLNJISA-N 440.510 6.607 30 10 IKEE COc1ccccc1-c1ccc(C(=O)Nc2sc3c(c2C#N)C[C@@H](C)C[C@H]3C)c(O)n1 1460374685 AIXSEAUOYSRMKO-UONOGXRCSA-N 433.533 5.334 30 10 IKEE O=C(O)c1ccc(N=C2S[C@H](Cc3ccccc3Cl)C(=O)N2Cc2ccco2)cc1 1772728195 UKZNFRGFQUEJDZ-LJQANCHMSA-N 440.908 5.006 30 10 IKEE Cc1c(C(=O)Nc2ccc(Cl)cc2)oc2c1C(=NNc1ccc([N+](=O)[O-])cc1)CCC2 1772747038 HDVSUIXRZVOLNS-UHFFFAOYSA-N 438.871 5.554 30 10 IKEE Cc1ccccc1N=C1S[C@H](CC(=O)c2ccc(Cl)cc2)C(=O)N1c1ccccc1C 1772760175 WVQPIUUPPLHDAO-HSZRJFAPSA-N 448.975 6.366 30 10 IKEE CCCCCCCCn1cc(OCc2cccc(C(=O)OC(C)C)c2)c(=O)cc1C(=O)O 1857890742 BFWPZJPCIKEVKC-UHFFFAOYSA-N 443.540 5.051 30 10 IKEE CCCCCCCCNC(=O)[C@H](CC)NC(=O)CCCOc1cc(C)c(Cl)c(C)c1 1861702860 YGMZONVJFDKUNQ-NRFANRHFSA-N 439.040 5.487 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc([N+](=O)[O-])c1 1862436312 QBIJOWGRKBCSQQ-FQEVSTJZSA-N 442.899 5.407 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(F)cc1 1862457691 VKUDIJZTXKQPLA-HXGDPMPDSA-N 447.428 5.400 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 1862476773 ODLUUOPUISUMHD-SBUREZEXSA-N 431.919 5.988 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@H]2c2ccc(F)cc2)c1 1862490117 NYCMLCCZNWNONB-QHCPKHFHSA-N 449.909 5.874 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc(OC)c(O)c2)cc1 1862531724 RVSLPBZDEGPLNB-SRDOKRBCSA-N 449.547 5.120 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862533252 HLIFDSIMQAVNNP-RUZDIDTESA-N 448.607 5.293 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2C2CCCCCC2)c1 1862534738 VDAYACKYCLNOQG-VWLOTQADSA-N 447.575 5.949 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(N(C)C)cc1 1862616462 RXPHQNRRRJATEK-HSZRJFAPSA-N 434.580 5.284 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1cccc(F)c1 1862617001 TYIAKVNQCCXCAH-BSDZUQITSA-N 449.566 6.280 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 1862681842 BYBCETXIONCOEP-HXUWFJFHSA-N 448.321 6.044 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2CC(C)C)c1 1862721676 ILDWKVLFNZKWOU-RUZDIDTESA-N 425.528 5.896 30 10 IKEE Cc1ccc(C2=C(Nc3ccccc3C(C)(C)C)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862896612 WYDSKXJPEOCTCF-UHFFFAOYSA-N 435.527 5.561 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)cc2)=C(c2ccccc2[N+](=O)[O-])C1=O 1863231517 AFZNBWMTVRPWIA-UHFFFAOYSA-N 439.487 5.286 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2Sc2ccccc2)=C(c2ccc(C)cc2)C1=O 1863269422 DBXPSUAXIBSLPT-UHFFFAOYSA-N 426.541 5.524 30 10 IKEE CC[C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(C#N)cc1)c1ccc(Cl)cc1 1866957302 SNNOHLAWKAHNRW-DNQXCXABSA-N 445.950 5.071 30 10 IKEE COc1cccc([C@@H]2c3ccccc3CCN2c2cc(Nc3cccc(C#N)c3)nc(C)n2)c1 1868466704 ACJAXOLEJRBEEW-MUUNZHRXSA-N 447.542 5.561 30 10 IKEE CC(C)c1cc(C(C)C)cc(-n2nnc(C#N)c2NC(=O)Cc2cccc3ccccc23)c1 1870152040 YJGSBWYUBHQIJT-UHFFFAOYSA-N 437.547 5.720 30 10 IKEE CC(C)c1cc(C(C)C)cc(-n2nnc(C#N)c2NC(=O)c2c(F)cccc2Cl)c1 1870160719 GSGNPWXZIVITGY-UHFFFAOYSA-N 425.895 5.431 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccccc2C)cn1CCc1ccc(C)cc1 1870627148 BRIJTQLSYFSPHW-UHFFFAOYSA-N 442.603 5.461 30 10 IKEE CCCCCCCCCCn1cc(OCC)c(=O)cc1CNc1ccccc1C(C)C 1870785896 XZIBVJSMYSIJPM-UHFFFAOYSA-N 426.645 7.123 30 10 IKEE CCCCCCCOc1cn(Cc2ccccn2)c(CNc2ccc3c[nH]nc3c2)cc1=O 1870838072 MXKWNVXOHFFXQL-UHFFFAOYSA-N 445.567 5.129 30 10 IKEE CCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CNc1ccc(N(C)C)cc1 1871058353 AHHLVVKBHHCBOW-UHFFFAOYSA-N 439.644 6.232 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1c(Cl)cccc1Cl)O3)CN(CCCN(C)C)CO2 1871346153 JDZHOTXRSFDBMX-JAIQZWGSSA-N 447.362 5.022 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4cccc(Br)c4)c3C)C2=O)cc1 1871364068 DTUNUTLJXCIJGA-MTJSOVHGSA-N 449.300 5.901 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O 1871385661 GHNDZRABVOGODF-HMAPJEAMSA-N 449.300 5.604 30 10 IKEE Cc1cc(OCCCOc2ccc(Cl)cc2)cc2c1C(=O)/C(=C/c1cccc(F)c1)O2 1871404894 GIRFEHTZNBPRAD-UCQKPKSFSA-N 438.882 6.252 30 10 IKEE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)o2)C3=O)c1 1871412595 WNGQBFOLKNKOTH-NVIPHDJISA-N 431.488 5.535 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(O[C@H](C)C(=O)Nc4ccc(C)cc4C)c3C)C2=O)cc1 1871413069 AEVOCSMRAUFDJC-UQEONJGVSA-N 441.527 5.942 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(OC)cc1)C2=O 1871458131 AVRUSYBBLDGYDC-IWIPYMOSSA-N 443.499 5.200 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1C 1871458908 FPZOXHVQMXOHLL-AJRXITOCSA-N 425.484 5.493 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(N3CCCC3)cc2)[nH]c(N(CC)CC)n1 1871678564 SQZPDPPPUPQPAS-UHFFFAOYSA-N 439.652 5.256 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Cl)cc1)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1871892671 QIZOJTZMRCCLLW-XMSQKQJNSA-N 449.016 5.269 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccccc1CC)[C@@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1872493649 GYGIELBTFVVPAL-JTSKRJEESA-N 449.016 5.133 30 10 IKEE N#Cc1ccc(NC(=O)c2ccc3nc(-c4cccc(OC(=O)c5ccco5)c4)[nH]c3c2)cc1 1872735069 DDRDOYTVOBADGP-UHFFFAOYSA-N 448.438 5.166 30 10 IKEE N#C[C@H](C(=O)COc1ccc(Cl)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872759716 XODLRLLJYDYZPG-JOCHJYFZSA-N 444.943 6.386 30 10 IKEE CCCCCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(CC)cc3)cs2)cc1 1872760971 CJELGRKPKHGTCC-HSZRJFAPSA-N 432.589 6.822 30 10 IKEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)NCCCc3ccccc3)cc2[nH]1 1872807500 QGLTZEUUQZZAJD-UHFFFAOYSA-N 441.531 5.069 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@H]2CCCC[C@@H]2C)=C(c2cccnc2)C1=O 1873081179 HSDSLADYKMKQRG-UNMCSNQZSA-N 425.617 5.471 30 10 IKEE CCCCCCCCCCNc1ncnc2c1ccc(=O)n2-c1ccc(C(F)(F)F)cc1 1873541354 JHRZOTOTWNOZPE-UHFFFAOYSA-N 446.517 6.352 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(CC)cc2)cc2c(NCCc3ccccc3)ncnc21 1873607638 WEYCURDAYZRGEB-UHFFFAOYSA-N 425.536 5.087 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C)c2C)cc2c(NCc3ccccc3C)ncnc21 1873618466 AXYWPYLIZVSMRD-UHFFFAOYSA-N 425.536 5.407 30 10 IKEE Cc1oc2cc(OCC(=O)Nc3cccc(C#N)c3)ccc2c(=O)c1-c1ccc(Cl)cc1 1873867557 SCHRGFIKLISYPN-UHFFFAOYSA-N 444.874 5.311 30 10 IKEE N#Cc1ccccc1NC(=O)[C@@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCCC2 1873868906 WMPKFMQQBLJLHT-SANMLTNESA-N 449.554 5.639 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccco1 1874299378 XFPYETSSZWOUCH-DHRITJCHSA-N 436.512 5.381 30 10 IKEE Cc1ccc(OCc2nnc(SCCc3ccccc3)n2/N=C/c2ccccn2)cc1C 1874321028 WFBTVGVPJWSWDW-WPWMEQJKSA-N 443.576 5.086 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccccc3F)n2/N=C/c2cc(C)ccc2O)c1 1874374546 BNKUVSTZVFACNT-JFLMPSFJSA-N 446.551 5.505 30 10 IKEE CCOc1cccc(/C=N/n2c(COc3ccccc3)nnc2SCc2ccccc2)c1 1874384138 ACNJARUZFQVSBZ-YZSQISJMSA-N 444.560 5.430 30 10 IKEE CCCOc1ccc(/C=N/n2c(COc3ccccc3)nnc2SCC)cc1OCC 1874384977 RFCQEOFWWQAKKL-LFVJCYFKSA-N 440.569 5.039 30 10 IKEE Cc1cccc(CSc2nnc(Cc3cccs3)n2/N=C/c2ccc(N(C)C)cc2)c1 1874411701 INFZBEKJRGRWLZ-PCLIKHOPSA-N 447.633 5.479 30 10 IKEE CCSc1nnc(Cc2cccs2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874412672 KVBIURSILMQTJO-LFVJCYFKSA-N 434.590 5.504 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccc(Cl)cc2)c1 1874418798 IZQZKLZIKRZSLC-CVKSISIWSA-N 448.979 5.711 30 10 IKEE Cc1cccc(CSc2nnc(-c3ccccc3)n2/N=C/c2ccc3c(c2)OCCO3)c1 1874426640 RJZLYJJTSGVOOT-WGOQTCKBSA-N 442.544 5.199 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3ccccc3F)nnc2-c2ccccc2)c1 1874428696 XIASBZUQQCXHJK-WPWMEQJKSA-N 446.551 6.048 30 10 IKEE CC(C)(C)Cc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1ccc(Cl)cc1 1874436737 OYZOMJGCTOMKMN-ZVHZXABRSA-N 441.988 5.133 30 10 IKEE Cc1ccccc1CSc1nnc(C(F)(F)F)n1/N=C/c1ccccc1OC(C)C 1874458312 GZKCIYLINJAGJA-BRJLIKDPSA-N 434.487 5.567 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C(C)(C)C)c1 1874486685 FRRGPKJXHHRRNZ-BHGWPJFGSA-N 432.952 5.557 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2C2CCC2)cc1 1874496045 SMVVJZSYCDUSRZ-NHFJDJAPSA-N 448.636 6.332 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc(OC)c(OC)c1 1874507645 NOIALOVHMDIQNA-YDZHTSKRSA-N 430.961 5.076 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccccc1C(=O)O 1874508551 JVWDGIXRDJKDQD-FOKLQQMPSA-N 449.363 5.410 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2C2CC2)cc1 1874516071 DTGAMBYCURPHJT-YZSQISJMSA-N 434.609 6.207 30 10 IKEE Cc1ccc(COc2ccc(/C=N/n3c(S)nnc3Cc3ccc(C)c(C)c3)cc2)cc1 1874562484 ZHOJGKDZUNHQCU-JVWAILMASA-N 442.588 5.544 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccccc2)c1OCc1ccc(Cl)c(Cl)c1 1874578232 CLIXLOWNSOHBBN-CSKARUKUSA-N 447.745 7.131 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccccc2)c1OCC(=O)Nc1ccc(C)cc1C 1874578271 FNETUSVXQSOMFC-ZRDIBKRKSA-N 449.934 5.879 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3ccc(F)cc3)c2)cc1 1874595545 QZSYOZKGOGAFDE-LNKIKWGQSA-N 449.478 5.147 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3cccc(OC)c3)cc2Cl)cc1 1874605657 YXKYTQVLXUMEFW-UKTHLTGXSA-N 449.934 5.825 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc(Cl)c2)c([N+](=O)[O-])c1)c1ccc(F)cc1F 1874611397 HMMPBRVQPNJXOF-XBXARRHUSA-N 429.806 6.002 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(Cl)c(Cl)c3)c2)cc1 1874709888 MZIAJLQIGQQBCS-AWNIVKPZSA-N 439.338 7.232 30 10 IKEE COc1cc(C(=O)/C=C/c2cccc(OC(=O)c3cncc(C)c3)c2)c(OC)cc1Cl 1874711824 LHMSXSGJJWBCIJ-BQYQJAHWSA-N 437.879 5.176 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cccc(OC(=O)Cc2ccc(F)c(C)c2)c1 1874713178 JUGXWFQUFGNSIU-PKNBQFBNSA-N 432.491 5.804 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)CC3CCCCC3)c(OC)c2)cc1 1875103491 BFTXAPRKYPGAAV-SDNWHVSQSA-N 440.967 6.683 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C)c(C)c3)c(Br)c2)cc1 1875135936 PBHWLJCNTWGYOT-KPKJPENVSA-N 449.344 6.490 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(Cl)cc3)c(Cl)c2)c1 1875139720 WWSSAQDZODGANI-YRNVUSSQSA-N 439.338 6.654 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1sccc1C 1875149389 NOHZYHRQLXYDDP-NTUHNPAUSA-N 448.584 6.868 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)C(c2ccccc2)c2ccccc2)cc1)c1ccc(F)cc1 1875157877 SMVSGIOINGAWRS-DEDYPNTBSA-N 436.482 6.459 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3F)cc2)cc1C(C)C 1875163447 LCDFQBACEDHPLW-SDNWHVSQSA-N 446.518 6.310 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)[C@@H]3CCCO3)c(Cl)c2)c1 1875172456 VJJIXPRVZXYXBQ-KXOMFBTKSA-N 444.911 5.118 30 10 IKEE C#CC[C@H](C)C[C@@H](NC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1887416274 FTABLFSKKAUNMO-GZWANVBQSA-N 443.587 5.516 30 10 IKEE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1(C#N)CCCCCC1 1901535355 SJRUSUZNSFTDAP-XMMPIXPASA-N 445.563 5.036 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)NCCC 1922064143 CCWAJNLWMYODIC-VWNXMTODSA-N 430.633 5.555 30 10 IKEE C=C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C1CC1)[C@H](CCCC)C(=O)O 1927511899 BIMWRTIKVDWWSQ-SHQCIBLASA-N 433.548 5.751 30 10 IKEE CCCCCCCCCC[C@H](N)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1947488134 DOIQOOGZABIQSK-ZEQRLZLVSA-N 434.665 6.345 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(C)sc(C)c1Br 2027395945 SCXXGLKNVWDHTM-PBHICJAKSA-N 431.440 5.638 30 10 IKEE N#CC1([C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCOCC1 2071359922 WYQWHFWVPNHSFN-AREMUKBSSA-N 429.516 5.198 30 10 IKEE CC[C@H](c1ccc(C(F)(F)F)cc1F)n1nc(C2CCC2)c(C=NO)c1Br 2079929497 VNLBZANFRUHJSB-OAHLLOKOSA-N 448.258 5.879 30 10 IKEE CC(C)c1nn([C@H](c2ccc(C(F)(F)F)c(F)c2)C(C)(C)C)c(Br)c1C#N 2079971092 BQFVHRFPPLGVRK-MRXNPFEDSA-N 446.286 6.434 30 10 IKEE CC1([C@@H](c2ccc(C3CCC3)cc2)n2nc(C(F)F)c(C=NO)c2Br)CC1 2080011939 HXMUTKRFXNKGAW-QGZVFWFLSA-N 438.316 6.048 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(Cl)cccc1Br 2102881385 ZOJPJJIOUNPNQA-AEFFLSMTSA-N 443.813 5.450 30 10 IKEE CCn1cnc(Cl)c1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2118679272 FZLGKFRVQPXYJL-CQSZACIVSA-N 439.741 5.325 30 10 IKEE C#CC[C@@H](C)C[C@@H](NCCC)c1ccc(Br)cc1I 2142288602 KZMOYGBYOFZMQJ-MLGOLLRUSA-N 434.159 5.144 30 10 IKEE CO[C@@H]1CC(F)(F)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2162038125 YOOVZKNRUOSCES-CRAIPNDOSA-N 445.304 5.287 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@]2(Nc3cc(Br)c(C#N)cc3F)CCC[C@H]12 2162333882 HUPRJRGSFINQFG-PXNSSMCTSA-N 438.341 5.194 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CCC2)C[C@H]1CNc1ccc(C#N)c(Br)c1F 2162342753 ODCFGPUBOXWYPK-AWEZNQCLSA-N 438.341 5.051 30 10 IKEE CC(C)(C)OC(=O)N1CCN(c2cc(Br)cc(C#N)c2)c2ccccc2C1 2174812731 ODJSKFRFOSHXOW-UHFFFAOYSA-N 428.330 5.210 30 10 IKEE CCc1ccc(Nc2cc(Br)c(C#N)cc2F)cc1I 2185162757 OLHYAXAAEUATFU-UHFFFAOYSA-N 445.073 5.370 30 10 IKEE COc1cc(C)cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)c1 2201258220 VPDSXSHDYVXKKR-LJQANCHMSA-N 431.330 5.773 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Br)cc1Cl 2222741144 VVNUVFHTYSKZFJ-IAGOWNOFSA-N 431.802 5.613 30 10 IKEE CCCc1ccc(C#C[C@H](CCN(Cc2ccccc2)C(=O)OC(C)(C)C)NCC)cc1 2223326994 UAVSNAHSRIPDQJ-AREMUKBSSA-N 434.624 5.796 30 10 IKEE Cc1ccc(Br)c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)c1 2228069725 LEYAOVLEJODIDT-GOSISDBHSA-N 435.749 6.417 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](Nc3cc(Br)ccc3C#N)CCC[C@H]2C1 2233764393 RIXQHHZHYDYNTI-JQHSSLGASA-N 434.378 5.158 30 10 IKEE C=C1CC(C[C@@H](NCC)[C@H](Cc2ccccc2Br)NC(=O)OC(C)(C)C)C1 2237429113 XSIOXPJVTFZQDS-UXHICEINSA-N 437.422 5.219 30 10 IKEE CC(C)(C)OC(=O)NC[C@@]1(C)CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2249886255 RNDIYXUXZBPCIM-RPWUZVMVSA-N 435.609 5.533 30 10 IKEE C=CC[C@]1(COc2ncc(Cl)cc2Br)CCCCN1C(=O)OC(C)(C)C 2272234914 VFEYIVYJSBFZAQ-LJQANCHMSA-N 445.785 5.612 30 10 IKEE O[C@@H](C#Cc1cccc(Br)c1)c1c(Br)cccc1Br 2278784482 BBMVGIPIGKTJGN-AWEZNQCLSA-N 444.948 5.059 30 10 IKEE C=CCCC1(C(=O)Nc2ccc(Br)c(C)c2C)CN(C(=O)OC(C)(C)C)C1 2281049863 DNQPLVCLVVHEKO-UHFFFAOYSA-N 437.378 5.208 30 10 IKEE Cc1c(NC(=O)OC(C)(C)C)ccc([C@H](O)C#Cc2ccccc2Br)c1C 2283462959 DYJRMRAFAPAGKT-HXUWFJFHSA-N 430.342 5.498 30 10 IKEE CC(C)(C)OC(=O)NCCC1([C@H](O)C#Cc2cccc(Br)c2)CCCCC1 2296218088 ANDQYYZIPPVVBD-LJQANCHMSA-N 436.390 5.027 30 10 IKEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H](CC=C(C)C)NC(=O)OC(C)(C)C 2296305838 ZHGSGVSEKDQYJA-VQTJNVASSA-N 435.406 5.028 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2Cl)Oc2cc(OS(=O)(=O)c3ccccc3)ccc21 2296603200 BAXMYSXAAMYRBC-UHFFFAOYSA-N 447.295 5.377 30 10 IKEE CCc1ccccc1NC=C1C(=O)c2sccc2N(Cc2ccc(C)cc2)S1(=O)=O 2297378355 FHUUYNQOKCRINH-UHFFFAOYSA-N 438.574 5.105 30 10 IKEE SC[C@H](CSc1cc(I)ccc1Br)C1CCC1 2300805098 JOHUEZUGXZYIMD-SNVBAGLBSA-N 443.213 5.492 30 10 IKEE C[C@H](COCc1ccccc1)COCc1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2301856569 LNQBUDZJDVYRPI-GOSISDBHSA-N 430.781 5.009 30 10 IKEE CN1C(=O)C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=Nc1cccnc1 2314541529 NJOYYWFOBWNWQH-UHFFFAOYSA-N 430.316 5.882 30 10 IKEE CCCCCCCCCOc1ccc(C=NNc2cnnc(O)c2Cl)cc1Cl 2318415898 XAOKWVRETPOBQX-UHFFFAOYSA-N 425.360 6.064 30 10 IKEE Cc1cc(OCc2ccccc2F)cc2c1C(=O)C(=Cc1ccc(-c3ccccc3)cc1)O2 2321796563 RQOSPKKKTPNIOM-UHFFFAOYSA-N 436.482 6.996 30 10 IKEE CCCCOCCCN1COc2ccc3c(c2C1)OC(=Cc1ccc(C(C)C)cc1)C3=O 2322145505 ZZPXWCYZCIPBBT-UHFFFAOYSA-N 435.564 5.785 30 10 IKEE COc1ccc(C(=O)C=Cc2c(OCC(=O)NCc3ccco3)ccc3ccccc23)cc1 2322450221 YRGKSMSJFGUWEY-UHFFFAOYSA-N 441.483 5.033 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2cc(C)ccc2C)cc1 2322549458 CAOAXEKQFZTLSZ-UHFFFAOYSA-N 429.516 5.616 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2c(F)cccc2Cl)cc1 2322552868 LOFOUHUNEDYPRQ-UHFFFAOYSA-N 445.317 7.006 30 10 IKEE O=c1c(Cl)c(NN=Cc2ccc(Cl)cc2Cl)cnn1-c1ccc(Cl)cc1 2322609740 PNZSBFBJTDIZPJ-UHFFFAOYSA-N 428.106 5.292 30 10 IKEE O=C(C=Cc1cc(Br)ccc1OCc1cccc(F)c1)c1ccc(F)c(F)c1 2322779830 RPFKZXQDTOHIJG-UHFFFAOYSA-N 447.250 6.342 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2C1=O 2323396497 QDNADYHOZQXTBB-UHFFFAOYSA-N 426.493 5.974 30 10 IKEE O=C(Cc1ccc(Cl)c(Cl)c1)Oc1ccc2c(c1)OC(=Cc1ccccn1)C2=O 2323419676 LHZWBWAYUUDSSV-UHFFFAOYSA-N 426.255 5.153 30 10 IKEE Cc1c(OC(=O)C=Cc2ccc([N+](=O)[O-])cc2)ccc2c1OC(=Cc1cccs1)C2=O 2323597173 BUUGAPZSPHNCRY-UHFFFAOYSA-N 433.441 5.200 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccccc2Cl)cc1Cl)Nc1ccccc1 2323603350 RLUPRIBGVRVXBQ-UHFFFAOYSA-N 426.299 5.907 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OCC)c(Br)c2)cc1OCCC 2323745170 JXTBAOUSFQTPNU-UHFFFAOYSA-N 447.369 6.322 30 10 IKEE Cc1cc(O)c(CN2CCC(Cc3ccccc3)CC2)c2c1C(=O)C(=Cc1ccccn1)O2 2324029932 YJAHAJFCANULBN-UHFFFAOYSA-N 440.543 5.167 30 10 IKEE C[C@@H](Oc1ccc2c(c1)OC(=Cc1cccs1)C2=O)C(=O)Nc1ccccc1Cl 2324388747 XSLMRSBCCYPEGC-CYBMUJFWSA-N 425.893 5.424 30 10 IKEE Cc1c(Cl)cccc1NC(=O)[C@H](C)Oc1ccc2c(c1C)OC(=Cc1ccccc1)C2=O 2324434060 JJTZUJCBLRQPTI-KRWDZBQOSA-N 447.918 5.979 30 10 IKEE Cc1ccc(OCCCCOc2ccc3c(c2C)OC(=Cc2sccc2C)C3=O)cc1 2324589113 NDACZGKZJPNQEU-UHFFFAOYSA-N 434.557 6.528 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OCc3nc(O)c4ccccc4n3)cc2)cc1C 2324627198 IKCKLOUIAVHFJE-UHFFFAOYSA-N 440.499 5.436 30 10 IKEE CCOC(COc1ccc2c(c1C)OC(=Cc1ccccc1Br)C2=O)OCC 2324741829 ZJUMFARIZMAWGE-UHFFFAOYSA-N 447.325 5.152 30 10 IKEE Oc1ccccc1C=Nn1c(CCc2ccccc2)nnc1SCc1cccc(Cl)c1 2325461885 ORGUGBAWOBYGSU-UHFFFAOYSA-N 448.979 5.597 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(C)c(C)c3)c2)cc1 2325733845 CDMHULNNLUAPGO-UHFFFAOYSA-N 430.500 5.826 30 10 IKEE CCCOc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(C)cc3C)c2)cc1 2325736070 FWVOWNWNMBAQCB-UHFFFAOYSA-N 428.528 6.136 30 10 IKEE CCCCCCCCC(=O)Oc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OC 2325747059 SZVSJJWZSQFLPQ-UHFFFAOYSA-N 438.520 5.976 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3c(C)cc(C)cc3C)c2)c(OC)c1 2325764622 MZFJOTLGURYVKQ-UHFFFAOYSA-N 444.527 5.673 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1N=Cc1c(C)n(CC)c2ccccc12 2326272834 RNMMAXHSUXRQOZ-UHFFFAOYSA-N 449.599 6.217 30 10 IKEE CCCOc1ccc(C=Nn2c(C)nnc2SCc2cccc(Cl)c2)cc1Cl 2326467770 UDNSUXHWBMLABS-UHFFFAOYSA-N 435.380 5.857 30 10 IKEE CCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(OC)c(OC(C)C)c1 2326468085 YICDLGRIJHFLEN-UHFFFAOYSA-N 444.988 5.464 30 10 IKEE CCCOc1ccccc1C=Nn1c(COc2ccc(C)c(C)c2)nnc1SCCC 2328798639 ZHXYGAFDMCSESR-UHFFFAOYSA-N 438.597 5.647 30 10 IKEE COc1cc2[nH]c3c(NN=Cc4cccc(Oc5ccccc5)c4)ncnc3c2cc1OC 2328835881 LQZGFVIMOZUDFM-UHFFFAOYSA-N 439.475 5.367 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)c(C)c3)n2N=Cc2ccncc2)cc1 2329381430 UDOURDUAQJAOFJ-UHFFFAOYSA-N 427.577 5.364 30 10 IKEE Fc1ccc(Cc2nnc(SCc3cccc4ccccc34)n2N=Cc2ccc[nH]2)cc1 2329854652 UNLOXDGMQLIXFZ-UHFFFAOYSA-N 441.535 5.664 30 10 IKEE Cc1ccccc1C=Nn1c(SCc2cccc(F)c2)nnc1[C@@H](C)c1ccccc1 2330078197 AUOLYHBGUQMAKO-IBGZPJMESA-N 430.552 6.052 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2OC)cc1 2330645880 LRZCZPZOSQJNCI-UHFFFAOYSA-N 447.443 5.117 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)ccc1OC(=O)Cc1ccccc1OC 2330763035 GZKRUJCVKHGABH-UHFFFAOYSA-N 444.527 5.701 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(CC)cc2)cc(OC)c1OC(=O)c1sccc1C 2330766848 DRDDXQMEWOJDLS-UHFFFAOYSA-N 446.568 6.471 30 10 IKEE COc1cccc(C(=O)C=Cc2cc(Br)c(OC(=O)C(C)(C)C)c(OC)c2)c1 2330794411 NTLNKAONQCJIMM-UHFFFAOYSA-N 447.325 5.314 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(CC(C)(C)C)nnc1SCc1ccccc1F 2330844814 ZDRUGASHIGIKHZ-UHFFFAOYSA-N 440.588 5.968 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(Br)c3)cc2)cc1 2330952262 HRJLWYLTIPEQQB-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE COc1ccc(C(=O)Oc2c(OC)cc(C=CC(=O)c3ccc(C)cc3)cc2OC)cc1 2331259794 AZTVTMJOQACJQP-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)cc(Cl)c1OC(=O)C(C)(C)C 2331364211 RTJAFDSSLOVXGM-UHFFFAOYSA-N 430.928 5.903 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3OC)cc2OC)c1 2331377015 XVYBNSPUIDJXEJ-UHFFFAOYSA-N 446.499 5.526 30 10 IKEE CC(C)(C)C(=O)Oc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1Br 2331416889 RNHGOHSOVJFWAS-UHFFFAOYSA-N 443.381 6.594 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1Cl 2331494015 ABVMGNOBXGLRHS-UHFFFAOYSA-N 434.919 6.587 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2Br)cc1)c1ccc(F)cc1 2331512968 SIOHCOZGICTWFM-UHFFFAOYSA-N 425.253 5.704 30 10 IKEE CCCC(=O)Oc1c(OCC)cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1[N+](=O)[O-] 2331652814 IYECATJABYNKSJ-UHFFFAOYSA-N 439.508 5.829 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2cccc(F)c2)c([N+](=O)[O-])c1 2331665254 KPHSYEZIHZRGON-UHFFFAOYSA-N 449.434 5.475 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)cc1C 2331704898 VNPNXWPHYBWXJF-UHFFFAOYSA-N 446.415 5.235 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)c1ccccc1 2331770811 JSRHXKNIAHOZTH-UHFFFAOYSA-N 448.946 6.779 30 10 IKEE C=CCOc1ccccc1C=C1C(=O)N(Cc2cccc(Cl)c2)N=C1c1ccccc1 2332114334 RBDBLEUVMKKMDL-UHFFFAOYSA-N 428.919 5.735 30 10 IKEE C=CCn1c(COc2ccc(Cl)c(C)c2)nnc1SCC(=O)Nc1ccc(C)cc1 13848500 MKGWMDLHPYOUOC-UHFFFAOYSA-N 442.972 5.044 30 10 IKEE O=C1CCCC2=C1[C@@H](c1cccs1)n1nc(SCc3ccc(F)cc3Cl)nc1N2 20134190 LRGBAIZHJAXDMZ-GOSISDBHSA-N 446.960 5.446 30 10 IKEE C=CCn1c(CCc2ccccc2)nnc1SCCC(=O)Nc1cc(Cl)ccc1C 20290495 SGAFTPIVKPXJIU-UHFFFAOYSA-N 441.000 5.332 30 10 IKEE COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)cc1O 21220758 QSKLVSSAEVUZSJ-WGDIFIGCSA-N 430.479 5.519 30 10 IKEE O=C1C[C@@H](c2ccc3ccccc3c2)C2=C(C[C@H](c3ccc(Cl)c(Cl)c3)CC2=O)N1 21227282 ZVPPOLDBCVAWNC-OALUTQOASA-N 436.338 6.151 30 10 IKEE C=CCn1c(SCc2ccc(C(=O)N3CCCC3)cc2)nnc1-c1ccc(Cl)cc1 25699242 VJQKPMSQKRWCFD-UHFFFAOYSA-N 438.984 5.313 30 10 IKEE CCCCCCCCOC(=O)c1ccc(OC)c(NC(=O)c2ccc3ccccc3c2O)c1 33353843 XYBIZOIFRTYCDS-UHFFFAOYSA-N 449.547 6.324 30 10 IKEE biogenic Cc1ccc([C@H]2C(/C=C\C(=O)c3ccccc3)=C(c3cccs3)Oc3ccccc32)cc1 33924529 SWUMXSRWWQVLQO-SFPUGHMZSA-N 434.560 7.431 30 10 IKEE Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C\c3ccc(C(C)(C)C)cc3)cc2)cc1 35078926 UPOMMTKKTGMQLV-NVMNQCDNSA-N 433.573 5.989 30 10 IKEE C=CCC[C@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F 36306813 PCBKROQRGSNNCD-NRFANRHFSA-N 437.559 5.558 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(O)cc1 40094145 GOLMKESXARBTEG-QHCPKHFHSA-N 437.536 5.114 30 10 IKEE Cc1sc(NC(=O)CCSc2nnc3cc(C)c4cccc(C)c4n23)c(C#N)c1C 40170493 NNLOGPDWDSDEGY-UHFFFAOYSA-N 435.578 5.170 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\C=C\c2ccccc2)C3=O)cc1OC 41289508 HSRDIAOBUZVIGG-YSNDTTCLSA-N 442.467 5.404 30 10 IKEE COc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN(CCc2cccs2)C3)C1=O 41586964 HWICFXNVENNZTP-XKZIYDEJSA-N 433.529 5.076 30 10 IKEE Cn1cc([C@@H](CC(=O)NCc2ccccc2)c2cccc(C#N)c2Cl)c2ccccc21 96292485 FBDLXDQCWQUDOW-QFIPXVFZSA-N 427.935 5.542 30 10 IKEE COc1ccccc1CO/N=C(\C)c1cc(-c2ccc(F)cc2)n(-c2ccccc2)c1C 97629485 ICCKTHUATKVHRM-VUTHCHCSSA-N 428.507 6.541 30 10 IKEE CCCCCCCC1=NN2C(=N)/C(=C\c3ccccc3Br)C(=O)N=C2S1 101893442 IHUGNZYRDWKPHS-XBYLQGELSA-N 433.375 5.429 30 10 IKEE CCCCCCCCCCCCCCCCCCn1c([C@H]2CCCO2)nc2ccccc21 102192997 BDQYMMURRXDTDO-MUUNZHRXSA-N 440.716 9.149 30 10 IKEE Cc1ccccc1N/C=C1\C(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S1(=O)=O 105286161 HYSPFRWGUZDIHS-HYARGMPZSA-N 438.936 5.135 30 10 IKEE COCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)S/C1=N/CCc1ccc(Cl)cc1 105828156 IKMKXVZBYOVMAE-KPWDBEQUSA-N 449.403 5.545 30 10 IKEE Cc1ccc(-c2csc(N/N=C\c3ccc(OC(C)C)c(Br)c3)n2)cc1C 169940684 GRKVZKVQSNMQRF-KSEXSDGBSA-N 444.398 6.423 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 169974770 AKOUUKXLWJIDMN-VWLOTQADSA-N 439.555 6.329 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccccn2)cc1C 169991781 MXNAWIBFSLWIJH-DEOSSOPVSA-N 426.516 5.605 30 10 IKEE CCCCCCCCN1C(=O)C(SCc2ccco2)=C(c2ccc(OC)cc2)C1=O 170030550 DQBBFKBBKIRMRZ-UHFFFAOYSA-N 427.566 5.662 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@@H]1c1ccc(F)cc1 170061185 KEXHJTTZTSFREL-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(C(C)C)cc2)c1 170066552 UYNFAGXDJPHHRY-URXFXBBRSA-N 433.548 5.184 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(OC)cc2)cc1C 170113628 QKWMLBKOTNKAHH-XMMPIXPASA-N 443.499 5.185 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)c(C)c2)[C@@H]1c1cccc(C)c1 170147592 GPJOVCYQWDBYTQ-DEOSSOPVSA-N 435.564 5.861 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C 170150261 ZNXSXPUWKSLQPX-XMMPIXPASA-N 449.591 6.070 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2cccs2)cc1C 170157804 PXGAPUUENJANHF-QFIPXVFZSA-N 449.528 5.247 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(OCC(C)C)cc1 170167278 JPRZYPDNNYKMGU-RUZDIDTESA-N 447.575 5.589 30 10 IKEE Cc1ccccc1NC1=C(c2ccc(OC(C)C)cc2)C(=O)N(c2ccc(C#N)cc2)C1=O 170173297 SVZZPTLPOFABBR-UHFFFAOYSA-N 437.499 5.051 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccccn1)c1ccc2ccccc2c1 170174039 BJEXRYIJIRKMRQ-QHCPKHFHSA-N 440.886 5.671 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccccc2)c1 170223718 OBGSGRJQBWCIHA-AREMUKBSSA-N 437.539 5.965 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@@H]1c1ccc(F)cc1 170243990 IPLONZYMHHTHSQ-FQEVSTJZSA-N 445.918 5.565 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccccc1F 170253644 SDWRTQMPTOHIQD-HSZRJFAPSA-N 435.539 5.953 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1c[nH]c2ccccc12 170254420 UICRAEBIVSKPNL-HSZRJFAPSA-N 442.446 5.099 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2Cc2ccncc2)o1 170307978 NLTMWMZRNNRDAA-QHCPKHFHSA-N 444.531 5.367 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(Cl)c(Cl)c2)c1 170388407 DGBSOTRQPPPYHA-LJQANCHMSA-N 428.271 5.678 30 10 IKEE C=CCCCSCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 227248880 VPPYLGDCENEQMP-JOCHJYFZSA-N 425.550 5.068 30 10 IKEE COc1c(Cl)cc(/C=N\n2cnnc2SCc2ccc(C(C)(C)C)cc2)cc1Cl 526805015 CKFCJCVHPGSITA-GATIEOLUSA-N 449.407 6.066 30 10 IKEE Clc1ccccc1CSc1nnc(CCc2ccccc2)n1/N=C\c1cccnc1 526817577 ZOHXKGVGEUPZFN-QQXSKIMKSA-N 433.968 5.286 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)CC3CCCCC3)C2)c1 586007250 VHIURHHOHHVEQJ-QHCPKHFHSA-N 425.617 5.215 30 10 IKEE COc1ccc(Cl)cc1S(=O)(=O)N(Cc1cccc(C#N)c1)c1cccc(Cl)c1 586258144 WHJPTXLFBMRIMG-UHFFFAOYSA-N 447.343 5.269 30 10 IKEE CC(C)c1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)cc1 710736434 MOGCWGAOAVIHLG-HXUWFJFHSA-N 429.358 6.579 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CC[C@H]2COCC[C@@H]2C1 723661688 FSMHVGWCLLWQEM-VWKPWSFCSA-N 435.362 5.290 30 10 IKEE COc1ccc(/C=C2/SC(=Nc3ccccc3)N(C3CCCCC3)C2=O)c2ccccc12 725274219 DIRWEOIETCYYAY-OFGWUVNBSA-N 442.584 6.785 30 10 IKEE Cc1ccc(SC(=Nc2cccc([N+](=O)[O-])c2)[C@@H](CC(C)C)N2CCOCC2)cc1 1078364798 GMHUXKUWPIMBBP-JOCHJYFZSA-N 427.570 5.472 30 10 IKEE O=[N+]([O-])c1ccc(O)c(C=Nc2cc(C(F)(F)F)ccc2N2CCc3ccccc3C2)c1 1084011316 WHELSYJKBBHJJC-UHFFFAOYSA-N 441.409 5.633 30 10 IKEE N#Cc1ccccc1COc1ccc(/C=C2\SC(=Nc3ccc(F)cc3)NC2=O)cc1 1084131162 FEFUJULDZLHDTF-XKZIYDEJSA-N 429.476 5.168 30 10 IKEE C=CCN(CC=C)c1cc(-c2cc3cnccc3c(N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)n2)ccn1 1857831142 VGDCIMUIJKZJKA-AIFLQVKLSA-N 439.607 6.107 30 10 IKEE C[C@@H](Sc1nc(O)c(C#N)c(-c2cccc(Cl)c2)n1)C(=O)Nc1ccc(Cl)cc1 1860463461 AYCHXAHJAZRSGM-LLVKDONJSA-N 445.331 5.147 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCC)NC(=O)Cc1cc(Cl)ccc1SC 1860972808 BQMWGCNFFGHMHY-IBGZPJMESA-N 427.054 5.366 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(OC)c(O)c2)cc1 1862398720 ZNUWZJCINRDDEV-DEOSSOPVSA-N 449.547 5.264 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(C(C)C)cc1 1862434228 UXJJBUCTOIWRBA-JOCHJYFZSA-N 441.955 5.468 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCc2ccccc2)cc1 1862441277 DJCWRVPEFDFMDQ-QHCPKHFHSA-N 431.919 5.469 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 1862448978 ZQGSPQQHVRHFRN-NRFANRHFSA-N 448.862 5.027 30 10 IKEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2F)cc1 1862474087 KCJSSZDOAPZNRZ-XDHUDOTRSA-N 445.490 5.482 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 1862478470 IBRMJPJTKNPZEA-SBUREZEXSA-N 442.471 5.243 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 1862479089 YIRNWUCDHCPXEC-QFIPXVFZSA-N 434.492 5.204 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC)cc1OCC 1862485137 YYEKSQRYSNTSRL-QHCPKHFHSA-N 437.536 5.171 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccc3ccccc23)c1 1862494116 FTRHUFSMYRBPMK-AREMUKBSSA-N 448.522 5.630 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1cccc(C)c1 1862523465 IGRWIERZMHZYDI-LIRRHRJNSA-N 428.326 5.134 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(N(C)C)cc1 1862545626 FDCHDQBONTVHHE-RUZDIDTESA-N 446.591 5.256 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C2CCCCCC2)c1 1862613407 HLCUCEWTQXVFOU-VWLOTQADSA-N 445.603 6.594 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C[C@@H](C)O)cc1 1862616875 UHTWZLXCXJMGPG-HXOBKFHXSA-N 435.564 5.067 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(Cl)cc1Cl)c1ccc(F)cc1 1862681836 BUMVOPZCMPZKKV-FQEVSTJZSA-N 448.321 6.044 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(OC)cc1 1862725229 DESPDYBIHLLCSH-XMMPIXPASA-N 427.500 5.351 30 10 IKEE Cc1cc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(Cl)cc3C)C2=O)ccc1F 1863092946 RCZMVDFARWMTGU-UHFFFAOYSA-N 445.881 5.364 30 10 IKEE C=CCN1C(=O)C(Nc2cc(Cl)ccc2Cl)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863285916 CZIMBMKEICFICB-UHFFFAOYSA-N 442.129 5.678 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2C#N)=C(c2cc(C)ccc2C)C1=O 1863408327 CVSCGZAFRKQKGH-UHFFFAOYSA-N 429.564 5.728 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCc2ccc(C)cc2)=C(c2ccc(C)cc2)C1=O 1863620558 YORKKEMGQJLZJS-UHFFFAOYSA-N 446.635 6.314 30 10 IKEE C=CCN(CC=C)c1cc(N2CC(C)(C)c3ccccc3[C@@H]2c2ccccc2)nc(CC)n1 1869138331 LFOQHANGMIHNIB-NDEPHWFRSA-N 438.619 6.105 30 10 IKEE C=CCc1ccccc1OC1CN(C(=O)/C(=C\c2ccc(OC)cc2)c2ccccc2)C1 1869907227 WQFYVWYFSZYANK-ITYLOYPMSA-N 425.528 5.254 30 10 IKEE CCCCCCCCn1cc(OCC2CCCCC2)c(=O)cc1CSc1ncccn1 1870275783 GYVXHWATELEAQB-UHFFFAOYSA-N 443.657 6.250 30 10 IKEE C=CCOc1cn(Cc2ccccc2F)c(CN(CCCC)CCCCCC)cc1=O 1870387679 OQAKFAJLZDGQAK-UHFFFAOYSA-N 428.592 5.783 30 10 IKEE CCCCCCCOc1cn(CCCOC(C)C)c(CN2C[C@@H](C)C[C@H](C)C2)cc1=O 1870411656 IWZHBGNBASBCEC-GOTSBHOMSA-N 434.665 5.491 30 10 IKEE CCCCCCCCCCn1cc(OCC(C)C)c(=O)cc1CN(CCCC)CCCC 1870437626 XREKCMBRPMCFSP-UHFFFAOYSA-N 448.736 7.426 30 10 IKEE CCCCCCCCn1cc(OCCCOc2ccc(CC)cc2)c(=O)cc1CN(C)C 1870455268 VHJQHXHYCAHFLB-UHFFFAOYSA-N 442.644 5.681 30 10 IKEE CCCCCCCCn1cc(OCC(=O)N(CC)CC)c(=O)cc1CN(CC)CCCC 1870630389 QUEMQIYQKZQFDN-UHFFFAOYSA-N 449.680 5.078 30 10 IKEE C=CCn1cc(OCc2ccc(Cl)cc2)c(=O)cc1CNc1ccc(CCCC)cc1 1870861864 XZUXMWCSUCQHRH-UHFFFAOYSA-N 436.983 6.221 30 10 IKEE C=CCn1cc(OCc2ccc(C(C)C)cc2)c(=O)cc1CNc1cccc(N(C)C)c1 1870898071 XKWBXYLUANFNLF-UHFFFAOYSA-N 431.580 5.415 30 10 IKEE CCCCCCCCn1cc(OCc2ccccc2C)c(=O)cc1CNc1ccc(C)cc1 1871078274 FSDOKFSPKDHOMT-UHFFFAOYSA-N 446.635 7.017 30 10 IKEE COC(=O)c1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(C2CCCCCC2)C4)cc1 1871352121 QQNHHWCXHIXZNL-UCQKPKSFSA-N 447.531 5.273 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccccc1)O3)CN(C[C@H](O)c1ccc(Cl)cc1)CO2 1871353016 LRXZGYNEWYATHW-DZCITIIWSA-N 447.918 5.150 30 10 IKEE CCc1ccc([C@@H](C)N2COc3c(cc4c(c3C)O/C(=C\c3ccc(F)cc3)C4=O)C2)cc1 1871360264 ZPBYKAWOIBSORU-BMLZXRGUSA-N 443.518 6.226 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OC(=O)c4ccc(Cl)cc4[N+](=O)[O-])ccc3C2=O)c1 1871373520 KWCLDIQNAZJUIS-FBHDLOMBSA-N 435.819 5.392 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc(C)c3C2=O)c1 1871374010 ZRKFNJYXQXMLSF-UUYOSTAYSA-N 429.428 5.355 30 10 IKEE Cc1c(OCCCCOc2ccccc2)ccc2c1O/C(=C\c1ccc(N(C)C)cc1)C2=O 1871403223 GNBXFKCXXZIRQQ-XHPQRKPJSA-N 443.543 5.915 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc(C)c4)cc(C)c3C2=O)cc1 1871456773 VYOQTAMLEBOXRD-OYKKKHCWSA-N 443.499 5.336 30 10 IKEE C=CCN=c1nc(Nc2ccc(CCCC)cc2)[nH]c(N(CCCC)CCCCCC)n1 1871501830 JQFFAUDAQQPZEC-UHFFFAOYSA-N 438.664 6.164 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)cc1)[C@@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1871776636 OMJMAKXAOQVJJG-GBXCKJPGSA-N 442.625 5.232 30 10 IKEE COc1ccc(OC)c(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)c1 1872760281 LCRGLZFZPCINKZ-CRWWQRIJSA-N 440.524 5.870 30 10 IKEE COc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 1872765814 XPXPXYHURJYTOT-BIPIYRQYSA-N 439.334 5.471 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccc(C(C)C)cc3)n2)cc1C 1872787370 IMWROPUMHBKRBQ-PGRDOPGGSA-N 448.588 6.203 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)c2ccccc12 1872787925 BGNRUAQAEBJTIY-LJQANCHMSA-N 443.484 5.679 30 10 IKEE C=CCc1ccccc1OCc1cccc(C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)c1 1872834439 WVSNXMOXZLLZQH-LJQANCHMSA-N 431.532 5.502 30 10 IKEE CCCCCCCCN=c1nc2c(cnn2-c2ccccc2)c(Nc2cccc(C)c2)[nH]1 1873477905 AVRNSAUYRIGKLA-UHFFFAOYSA-N 428.584 6.062 30 10 IKEE CCCCCCCCNC(=O)c1cc2c(N3C[C@@H](C)C[C@H](C)C3)ncnc2n1CC(C)C 1873577373 OHVRKXKRZCFLNS-SFTDATJTSA-N 441.664 5.660 30 10 IKEE CCCCCCCCCCNC(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O 1873936915 SHKINMICZNTUIP-UHFFFAOYSA-N 439.596 6.654 30 10 IKEE CCCCCCCCCCNC(=O)c1nc(-n2cccc2)sc1-c1ccc(F)cc1 1873936965 UTCRFAXQZWJALG-UHFFFAOYSA-N 427.589 6.610 30 10 IKEE C=CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccccc1C 1874218039 RLFIGXGPFNVVQE-ZMOGYAJESA-N 426.973 5.596 30 10 IKEE CSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1c(Cl)cccc1Cl 1874250460 FQZKVOXXRGOIOC-YDZHTSKRSA-N 435.380 5.509 30 10 IKEE C=CCSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1ccccc1OC(C)C 1874260960 BAIPRFHQFUBMSD-DHRITJCHSA-N 444.507 5.083 30 10 IKEE CCCCOc1ccc(/C=N/n2c(COc3ccc(OC)cc3)nnc2SCC)cc1 1874292426 CKUWOHZJRCWJMS-LFVJCYFKSA-N 440.569 5.039 30 10 IKEE Cc1cccc(CSc2nnc(COCc3ccccc3)n2/N=C/c2ccccc2)c1 1874353963 KSYQNYZHTWKMIT-WGOQTCKBSA-N 428.561 5.478 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccccn1 1874361540 OQSIZELXKIAPRV-JVWAILMASA-N 431.540 5.080 30 10 IKEE CCCSc1nnc(Cc2ccccc2F)n1/N=C/c1ccc(OCC)c(OCC)c1 1874376764 NFYNDVDRUKIPRT-PCLIKHOPSA-N 442.560 5.190 30 10 IKEE CCc1ccc(/C=N/n2c(COc3ccccc3)nnc2SCc2ccccc2F)cc1 1874384383 MQZKREYRXSXROC-JVWAILMASA-N 446.551 5.733 30 10 IKEE Cc1ccc(C)c(CSc2nnc(COc3ccccc3)n2/N=C/c2ccccn2)c1 1874384594 YINKAJIJSGHNIZ-CVKSISIWSA-N 429.549 5.043 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)cc3)n2/N=C/c2ccc(O)cc2)cc1 1874387401 LKEKBSGOFBCZFR-WGOQTCKBSA-N 428.561 5.366 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3ccccc3)nnc2[C@@H](C)c2ccccc2)cc1 1874395580 PWKVNOPMXHGTHQ-FGAYPWGZSA-N 426.589 6.167 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SC)cc1OC 1874397535 BEOIYBIGBABYJZ-XIEYBQDHSA-N 438.597 5.245 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCCc2ccccc2)n1/N=C/c1ccc(O)cc1 1874400721 XYRBSVDCXNMGSM-YRDQYSPCSA-N 428.561 5.353 30 10 IKEE C(=N/n1c(CCc2ccccc2)nnc1SCc1cccc2ccccc12)\c1cccnc1 1874404563 DVTZXEHLWOGDJN-VUTHCHCSSA-N 449.583 5.786 30 10 IKEE CCCOc1cccc(/C=N/n2c(Cc3cccs3)nnc2SCc2ccccc2)c1 1874412833 YHTRIYSMNADXPA-KOEQRZSOSA-N 448.617 5.894 30 10 IKEE COc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2-c2cccs2)c1 1874424614 UQRKLJCJCNRCRQ-YDZHTSKRSA-N 440.981 5.843 30 10 IKEE COc1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2-c2ccccc2)c(OC)c1 1874427156 TYGJYZWSSQCIID-CVKSISIWSA-N 448.523 5.276 30 10 IKEE Cc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2[C@H]2CCCO2)cc1 1874450390 ALECZTJVHMKLQV-QVHMZZSFSA-N 447.391 5.919 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C/c1cccc(OCCC)c1 1874477120 KCDXCEQRFVBPSC-PCLIKHOPSA-N 426.561 5.723 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C(C)(C)C)n2/N=C/c2ccc(C(F)(F)F)cc2)c1 1874484204 KNOWCCAWGKORRZ-UVHMKAGCSA-N 446.542 6.386 30 10 IKEE COc1cccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2C2CCC2)c1OC 1874495949 NAIJARHKTOSIQN-AFUMVMLFSA-N 436.581 5.354 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SCc3ccccc3C)nnc2C(C)C)cc1 1874510288 KXUPPIYUGPFZJC-YZSQISJMSA-N 436.625 6.453 30 10 IKEE Sc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccc(Cl)c(Cl)c1 1874568618 IIUFYBGCCXLNBW-SSDVNMTOSA-N 441.771 5.421 30 10 IKEE CCOc1ccc(/C=N/n2c(S)nnc2CCCOc2ccc3ccccc3c2)cc1 1874569425 WFZQXUANKAJHDN-KOEQRZSOSA-N 432.549 5.013 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(F)c(C)c2)c1OCC(=O)N[C@@H](C)c1ccccc1 1874581272 FEYKRCFDEVHESE-LLLGYDHXSA-N 447.506 5.295 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2cccc(C)c2)cc1Cl 1874591149 VMQFPFIZFGDRED-RMKNXTFCSA-N 427.327 6.786 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1OCc1ccc(Cl)cc1 1874594124 UECVTVQXRZWZPC-ONNFQVAWSA-N 447.745 7.131 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OCC(=O)Nc1ccccc1F 1874595177 YACBHSZHKXUXQR-ZRDIBKRKSA-N 439.870 5.401 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1OCc1cc(C)ccc1C 1874598285 DSPLSJCCZVLJCY-FMIVXFBMSA-N 430.544 6.413 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3cccc(C)c3)c2)c(C)c1C 1874598450 MPMCRRIIWSRVSK-ACCUITESSA-N 429.516 5.534 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)ccc1OCc1ccc(C(=O)OC)o1 1874604699 ATRLDNBGLMKFIC-MDWZMJQESA-N 434.488 5.502 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1ccc([N+](=O)[O-])cc1 1874610723 HVXDOEZGQFJZJM-UUILKARUSA-N 428.271 6.377 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OCc1ccc(Cl)c(Cl)c1 1874618819 UVRGRXAPVULHTD-JXMROGBWSA-N 441.354 7.094 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1OCc1cccc(C)c1 1874625757 UUCSZDFKEIINOF-KPKJPENVSA-N 435.451 5.916 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3F)c([N+](=O)[O-])c2)cc1C 1874633189 PREWBFONMPSQJG-DHZHZOJOSA-N 448.450 5.264 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OCc2ccccc2F)c([N+](=O)[O-])c1 1874635194 HMEJPWFZQYIFQJ-JLHYYAGUSA-N 447.506 6.815 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1C 1874636509 DOFXGYASNXSWES-IZZDOVSWSA-N 441.354 7.094 30 10 IKEE COc1cccc(C(=O)/C=C/c2cccc(OC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)c2)c1 1874694996 GDYZLSRGLKGQBA-MBNYPGIVSA-N 444.527 6.088 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)CCCSC)c2)cc1Cl 1874716958 RIRBYXBTKDMAFK-RMKNXTFCSA-N 434.941 5.302 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccccc2OC)cc(OC)c1OC(=O)CCCSC 1875119600 CCUKLAGVYLOVOS-BUHFOSPRSA-N 440.561 5.377 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1Cl 1875126114 QMJMYNJMAMTSNP-AWNIVKPZSA-N 425.311 6.428 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cccs3)c([N+](=O)[O-])c2)cc1 1875130394 SBQRGSABYRJZCI-VZUCSPMQSA-N 437.473 5.099 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)cc2)cc1 1875156098 KECAWSIHEJTKHR-PDADYDAVSA-N 444.958 7.069 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OC(=O)CC(C)(C)C 1875156364 WVDRZHVRRDUALC-KPKJPENVSA-N 428.956 6.710 30 10 IKEE O=C(Cc1ccccc1Cl)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1Cl 1875158418 VMOGINVZYKFTEZ-VZUCSPMQSA-N 429.274 6.177 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)c3ccccc3)cc2)c1 1875171713 JTEIWXQJXKNKGQ-NXNYUAIASA-N 444.527 6.089 30 10 IKEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)CC(C)C)c(OC)c2)c1 1875172772 KRKRRYSMKQRNSX-DHZHZOJOSA-N 426.509 5.340 30 10 IKEE N#Cc1ccnc(OCC2CCN(C(=O)c3cc(-c4ccccc4)nc4ccccc34)CC2)c1 1891648161 YNDMUAJJTSNLDP-UHFFFAOYSA-N 448.526 5.100 30 10 IKEE C=CCC1(Oc2cc(Br)ccc2C(F)(F)F)CN(C(=O)OC(C)(C)C)C1 1903472416 VZHFZZPMTHQRCI-UHFFFAOYSA-N 436.268 5.412 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]12CC[C@@H](CN(C(=O)OC(C)(C)C)C1)C2 1910492672 ZNLVVPIUQFSFBX-MVERNJQCSA-N 428.617 5.165 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](O)c1ccc(OCc2ccccc2)cc1 1922097257 NHSDPZWUFJTJNW-VSGBNLITSA-N 431.576 5.440 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C(C)(C)n1cc(NC(=O)OC(C)(C)C)cn1 1922106755 GLSPBFHNOXBUKP-QFIPXVFZSA-N 442.604 5.106 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@](C)(C#N)N(C(=O)OC(C)(C)C)C2CCCC2)cc1 1940974601 WFSUUPATKAMUMK-DEOSSOPVSA-N 429.561 5.952 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)CC1(C)C 1949593171 APVNHBZQNLPUNN-QHCPKHFHSA-N 449.979 5.763 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCC[C@@]12CCN(C(=O)OC(C)(C)C)C2 1950307477 NKOJFMNQRUMBGG-BJKOFHAPSA-N 435.609 5.343 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[C@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1953246734 QDTSWHMHZZSGNH-XMZFGDCGSA-N 443.588 5.209 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)C(C)(C)NC(=O)OC(C)(C)C)cc1 2020508991 AFPFSFHPEVQTES-QHCPKHFHSA-N 433.549 5.022 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)c1 2032001615 WUUUHWJDQGECAW-MHPIHPPYSA-N 443.588 5.664 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Cc1ccc(Cl)c(Br)c1F 2047924704 OUPYPZNBDNUOTL-CYBMUJFWSA-N 434.733 5.213 30 10 IKEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@]2(C)CCCN2C(=O)OC(C)(C)C)c1 2076984822 SDTPISOJQYWJIR-NTKDMRAZSA-N 445.560 5.118 30 10 IKEE Cc1ccc([C@H](C(C)C)n2nc(C(F)F)c(C#N)c2I)c(C)c1 2079092363 DUVRQQZKLNXIKZ-HNNXBMFYSA-N 429.252 5.159 30 10 IKEE CC(C)(C)[C@@H](c1ccc(C(F)(F)F)cc1)n1nc(C2CC2)c(C=NO)c1Br 2079855874 ODDCPXWCLGYBJC-MRXNPFEDSA-N 444.295 5.985 30 10 IKEE CCc1nn([C@H](CC)c2ccc(C3CCC3)cc2)c(I)c1C=NO 2079906449 QLCVCJSLYKQAJX-GOSISDBHSA-N 437.325 5.125 30 10 IKEE Cc1ccc([C@H](C(C)C)n2nc(C(C)(C)C)c(C=NO)c2Br)c(F)c1F 2079940034 WEKHDYCDWXAXOB-INIZCTEOSA-N 428.321 5.583 30 10 IKEE C=CCCCCCCCC[C@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NC 2086264037 NZEPCOFSRGHJMW-RPBOFIJWSA-N 446.676 6.381 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H](C(C)C)N(Cc3ccccc3)C2)cc1 2090228577 XCGMUDYNSQDZAP-IGKIAQTJSA-N 449.595 5.630 30 10 IKEE COc1cc(Br)ccc1[C@H](C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 2109261282 APWJPCXLMKLIME-INIZCTEOSA-N 437.359 5.521 30 10 IKEE CCCN[C@H](CC#CC1CC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134733829 KOSLQLQJKPJYJD-MUUNZHRXSA-N 439.599 6.689 30 10 IKEE N#C[C@@H](C(=O)c1csc(Br)c1Br)c1c(F)cccc1Cl 2150363520 AHOMOWWJNIAPAV-ZCFIWIBFSA-N 437.515 5.556 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCCN1c1ccc(Br)cc1C#N 2174813631 YMTAOKYFLCJYCV-OALUTQOASA-N 434.378 5.079 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1sc(C)c(Br)c1C 2226503765 RQLOIWOPGTYSNE-INIZCTEOSA-N 435.387 6.442 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[C@H]2Nc2ccc(C#N)cc2Br)C1 2233763247 NMSNSJSYHRTVFT-JFIYKMOQSA-N 434.378 5.158 30 10 IKEE C=CCCCCCCC[C@H](N)[C@H](O)c1scc(Br)c1Br 2235531694 BVYXOFNTUZUJQU-JSGCOSHPSA-N 425.230 5.551 30 10 IKEE CCCN[C@H](CC#CC1CCCC1)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2251494783 FXXDFHUQPZIAAI-RPWUZVMVSA-N 428.617 5.048 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCCN(C(=O)OC(C)(C)C)CC1 2259680514 DJCFAXKBZROESK-VWLOTQADSA-N 443.588 5.810 30 10 IKEE C=CCCC[C@@H](NCCC)[C@](C)(O)c1cc(Br)c(Br)s1 2281280077 LXAQKPXNFWLQIJ-DOMZBBRYSA-N 425.230 5.205 30 10 IKEE C=CC[C@@]1(COc2cc(Br)c(C)cc2N)CCCCN1C(=O)OC(C)(C)C 2287700782 ZBBAEOYTQPWAPT-NRFANRHFSA-N 439.394 5.454 30 10 IKEE C#CCN1C(=O)SC(=Cc2ccc(OCc3ccc4ccccc4c3)c(OC)c2)C1=O 2293191914 HMIZZPZCZKYDCR-UHFFFAOYSA-N 429.497 5.097 30 10 IKEE Cc1c(OC(=O)c2ccc(F)cc2)ccc2c1OC(=Cc1cn(C)c3ccccc13)C2=O 2296601920 XCNZOZVRYVMGQD-UHFFFAOYSA-N 427.431 5.461 30 10 IKEE CCCCOc1ccc(C(=O)C(=Cc2ccccc2Cl)c2nc3ccccc3o2)cc1 2296845207 GRRBNEFLAINRPX-UHFFFAOYSA-N 431.919 7.084 30 10 IKEE COc1cc(C=C2Oc3cc(OCc4cc(C)ccc4C)ccc3C2=O)cc(OC)c1OC 2296867368 KSASGEDCUMBJKG-UHFFFAOYSA-N 446.499 5.524 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3cc(OC(=O)c4ccccc4C)ccc3C1=O)cn2C 2296872115 UJMJQPLDIWJCEY-UHFFFAOYSA-N 439.467 5.331 30 10 IKEE C=CCN1C(=O)C(=Cc2ccccc2OCCOc2cc(C)ccc2C)SC1=S 2297335254 JRCYODOUPOAFTO-UHFFFAOYSA-N 425.575 5.148 30 10 IKEE Cc1csc(C#C[C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)n1 2316454667 RJQXGJSGFTVHAP-DEOSSOPVSA-N 441.552 5.695 30 10 IKEE CCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1ccc([N+](=O)[O-])cc1 2318575153 ZUCJZUGRQNNOEP-UHFFFAOYSA-N 437.569 5.611 30 10 IKEE COc1ccc(Br)cc1C=NNc1oc([C@H]2C[C@@H]2c2ccccc2)nc1C#N 2320837398 UZKBZQMEHSNFKV-SJORKVTESA-N 437.297 5.034 30 10 IKEE Cc1ccc(COc2ccccc2C=NNc2oc([C@@H]3C[C@@H]3c3ccccc3)nc2C#N)cc1 2320839993 OFEYFVLQLXDRNJ-DNQXCXABSA-N 448.526 6.151 30 10 IKEE Clc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CC2)c(Cl)c1 2320858337 LYGGSLNZRGVFOP-UHFFFAOYSA-N 437.783 6.290 30 10 IKEE Clc1cccc(CSc2nnc(C3CC3)n2N=Cc2c(Cl)cccc2Cl)c1 2320892121 CYPCQGZIGUECRI-UHFFFAOYSA-N 437.783 6.290 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1cccc([N+](=O)[O-])c1)C3=O)CN(C1CCCCCCC1)CO2 2322415261 XJLYGKISZOUPMY-UHFFFAOYSA-N 448.519 5.784 30 10 IKEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccccc2OCc2ccc([N+](=O)[O-])cc2)c1 2322860084 FXMGBKKSVBZSRY-UHFFFAOYSA-N 447.487 5.867 30 10 IKEE Cc1ccc(CCC(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1 2323086019 JSXPDHWOIATWFA-UHFFFAOYSA-N 440.539 6.581 30 10 IKEE Cc1cc(OC(=O)c2cccc([N+](=O)[O-])c2C)cc2c1C(=O)C(=CC=Cc1ccccc1)O2 2323270559 UGBTWEUOFUIWSN-UHFFFAOYSA-N 441.439 5.603 30 10 IKEE CCOc1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccn2)C3=O)cc1 2323511908 FLPCDNQVGITOMJ-UHFFFAOYSA-N 427.456 5.024 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCc3c(F)cccc3Cl)c(Cl)c2)cc1 2323831378 BKMWOLQYAUBIDX-UHFFFAOYSA-N 445.317 7.006 30 10 IKEE Cc1ccc(COc2ccccc2C=NNc2nc(-c3c(C)cc(C)cc3C)cs2)cc1 2323850803 MTEJYEDQOVJIOQ-UHFFFAOYSA-N 441.600 7.069 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1 2323864718 LPIXFSDUDZDPRN-UHFFFAOYSA-N 440.495 6.210 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1cccc(Cl)c1 2324074815 WMCARZIBXRSNLA-UHFFFAOYSA-N 448.990 7.511 30 10 IKEE CCc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C)cc2)C3=O)cc1 2324478380 XTLOUASGEKWQLW-LJQANCHMSA-N 441.527 5.888 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c(OCC)c1 2324484268 QBQZTINPIUVRAP-UHFFFAOYSA-N 447.487 5.867 30 10 IKEE CCCC[C@H](Oc1ccc2c(c1)OC(=Cc1cn(CC)c3ccc(OC)cc13)C2=O)C(=O)O 2324781229 VSYVQUYQCBVCKW-QFIPXVFZSA-N 449.503 5.308 30 10 IKEE CCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1cccc(OC)c1OCC 2325555954 BZBKTWTYJQOTAF-UHFFFAOYSA-N 438.597 5.429 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1N=Cc1cccc(OC)c1OC 2325603844 VWFDMKZYRRGMPH-UHFFFAOYSA-N 432.549 5.185 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc2ccccc2c1 2325700653 FHXWOCFLIBIPPX-UHFFFAOYSA-N 447.317 7.262 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccccc2Cl)c1)c1ccc(Cl)cc1Cl 2325709241 NZXGWJBGFFZANN-UHFFFAOYSA-N 431.702 6.762 30 10 IKEE CCCOc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(OC)cc3)c2)cc1 2325719087 XFCRBXALNYNPCQ-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE O=C(Oc1cccc(C=CC(=O)c2cccc3ccccc23)c1)c1cc(Cl)ccc1Cl 2325750003 WCMLAFCYQQFHDU-UHFFFAOYSA-N 447.317 7.262 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1)c1ccc(F)cc1 2325751467 MNRUMFKDVDSALX-UHFFFAOYSA-N 425.799 5.503 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2cccc(OC(=O)Cc3cccs3)c2)cc1Cl 2325759470 LJZPODLSQGWTLL-UHFFFAOYSA-N 442.920 5.463 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)COCc3ccccc3)c2)cc1Cl 2325769614 KACBMDVMZMGRKV-UHFFFAOYSA-N 436.891 5.367 30 10 IKEE CCc1nnc(SCc2cccc(C)c2)n1N=Cc1cc(Br)ccc1OC 2326379306 LZFVWJCCPLXTCV-UHFFFAOYSA-N 445.386 5.095 30 10 IKEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(OC(C)(C)C)cc1 2326489600 SMESRQGYDZSJGG-UHFFFAOYSA-N 449.407 6.245 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1sccc1C 2327365817 CXUPVJJVNRQVGB-UHFFFAOYSA-N 426.611 5.730 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1cccc(OC)c1OC 2329101070 DYQCEEFWYXUALM-UHFFFAOYSA-N 442.972 5.090 30 10 IKEE Cc1ccccc1CCc1nnc(SCCCO)n1N=Cc1ccc(C(C)(C)C)cc1 2329507227 LEHYBLLKBALGLK-UHFFFAOYSA-N 436.625 5.026 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)COCc3ccccc3)c(OC)c2)cc1 2330772752 MTHHAUSPVRWZAW-UHFFFAOYSA-N 430.500 5.276 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 2330825750 ZSXCFPTYLDHQEJ-UHFFFAOYSA-N 440.583 7.442 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(-n4cccc4)cc3)cc2)cc1C 2330855480 ICHJNYSNEQVXOW-UHFFFAOYSA-N 437.495 5.910 30 10 IKEE Oc1ccccc1C=Nn1c(SCc2c(Cl)cccc2Cl)nnc1[C@@H]1CCCO1 2330976864 HQTJAUPANDUTAC-SFHVURJKSA-N 449.363 5.317 30 10 IKEE Cc1ccc(CSc2nnc(C(F)(F)F)n2N=Cc2ccc(Cl)c(Cl)c2)cc1 2331109063 PBLHJZLSVZLOSV-UHFFFAOYSA-N 445.297 6.087 30 10 IKEE CCN(CC)c1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2-c2ccco2)cc1 2331167659 FQGNLCCKQWAPGA-UHFFFAOYSA-N 445.592 5.867 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)c(C)c3)c(Cl)c2)c(C)c1 2331222430 VYBPUHAGTYKWFU-UHFFFAOYSA-N 436.910 6.449 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3C)cc2[N+](=O)[O-])cc1 2331224565 KROVYVJPBARJBJ-UHFFFAOYSA-N 429.472 5.564 30 10 IKEE Oc1cccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2-c2ccco2)c1 2331229860 YBNAKSIRWHLIMH-UHFFFAOYSA-N 445.331 5.725 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)c1ccc(Cl)cc1 2331256052 PVJDDNCRGLGSHO-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)c1ccc(C)cc1 2331346651 HCKUQBXYABDYQB-UHFFFAOYSA-N 444.502 6.295 30 10 IKEE COc1cc(C=Nn2c(SC)nnc2C(C)(C)C)ccc1OCc1ccc(Cl)cc1 2331356104 OEZYQJBVCTXUPV-UHFFFAOYSA-N 444.988 5.421 30 10 IKEE COc1cc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C(C)(C)C)ccc1O 2331409010 ICMSWBYNZCTRFJ-UHFFFAOYSA-N 430.961 5.118 30 10 IKEE CCOc1ccc(C=Nn2c(CC(C)C)nnc2SCc2cccc(Cl)c2)cc1 2331471129 PFGIBVAMPUAZHP-UHFFFAOYSA-N 428.989 5.703 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2c(F)cccc2Cl)c1 2331684499 JCQRZKTXCVFSMB-UHFFFAOYSA-N 445.951 5.115 30 10 IKEE Cc1cccc(CSc2nnc(C(C)C)n2N=Cc2ccc(Br)cc2)c1 2331684992 OQVYUTFHYOCLMT-UHFFFAOYSA-N 429.387 5.647 30 10 IKEE COc1cc(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)cc3)cc2)c(OC)cc1Cl 2331687117 ILNFLQPEVWWZBQ-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE CCOc1cc(C=Nn2c(SCC)nnc2C(C)C)ccc1OCc1ccc(C)cc1 2331696128 VHOXALGEJPRFNZ-UHFFFAOYSA-N 438.597 5.682 30 10 IKEE CC[C@H](N[C@@H]1C[C@H](OCc2ccccc2)C1(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363836331 MDOQLDDPNFQKFY-GVAUOCQISA-N 449.444 5.410 30 10 IKEE CC[C@@H](NCC1(N(C)Cc2ccccc2)CCC1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363849222 ZCZJUCRGVFXEEK-RUZDIDTESA-N 448.460 5.081 30 10 IKEE CC[C@H](Nc1c(C)nsc1Br)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2380382698 ORSZJVOOOFTWER-HNNXBMFYSA-N 437.212 5.076 30 10 IKEE N/C(CSc1cccs1)=N\OC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 8637186 BCTXXPFJTYXRLF-UHFFFAOYSA-N 428.379 5.007 30 10 IKEE Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2coc3ccccc3c2=O)cc1 21226639 KIRBILXTLUCEEX-GDJIYFAZSA-N 448.522 6.081 30 10 IKEE CC(C)COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccs2)cc1 21239353 USYMIBYSUNDCIL-PPHZAIPVSA-N 444.600 6.762 30 10 IKEE Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/Nc2cccc(C(F)(F)F)c2)CCC3)c1 40824047 WBXQHEHLSVBARQ-NDZAJKAJSA-N 441.453 6.320 30 10 IKEE Cc1ccc(C)c(OCCCC(=O)Nc2sc(=S)c3c(c2C#N)CC[C@H](C)C3)c1 41015647 NQWNMQLXYZQRDD-AWEZNQCLSA-N 426.607 5.889 30 10 IKEE CCN(CC)c1ccc(/C=C2/S/C(=N\c3cccc(C(F)(F)F)c3)NC2=O)c(OC)c1 96505626 ICKZNRJEPMIZRU-YBFXNURJSA-N 449.498 5.452 30 10 IKEE CCCCCCCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(F)cc2)c1 98021388 GTDGCKWELWWFHZ-RUZDIDTESA-N 442.600 6.684 30 10 IKEE CN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S/C1=N/c1nccs1 101127938 UYYOEMLETZKOJY-FKHPOCDDSA-N 441.965 5.609 30 10 IKEE CCCCCCCc1ccc(/C=C\c2nc(-c3ccc(Br)cc3)no2)cc1 101418125 WOTGGVUJGZIZEF-ATVHPVEESA-N 425.370 7.182 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)/C(=C(\O)c4cccs4)[C@@H]3c3ccco3)sc2c1 102908941 FOQLOESFQAVPSU-VZCCSQPZSA-N 436.514 5.140 30 10 IKEE O=C1/C(=C\c2c(Cl)cccc2Cl)Oc2cc(OS(=O)(=O)c3ccccc3)ccc21 103023326 GPQRKZJRYOKPNK-UDWIEESQSA-N 447.295 5.377 30 10 IKEE CCn1cc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(F)cc4)c3C)C2=O)c2ccccc21 103024723 GHHYLIPCYGXOQC-OYKKKHCWSA-N 441.458 5.944 30 10 IKEE C=CCOc1c(Br)cc(CNC23CC4C[C@@](C)(C2)C[C@@](C)(C4)C3)cc1OC 103576618 BDTPPUNEHVMTLT-CRBRTNQVSA-N 434.418 5.861 30 10 IKEE O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 104103062 HWKFNGQOAKNGPP-UHFFFAOYSA-N 435.673 6.649 30 10 IKEE C=C1CC[C@H](O)C/C1=C/[C@H](O)[C@@]1(O)CCC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]12 164968424 KXILCRGOVVVVRF-FMDNGVRXSA-N 430.673 5.807 30 10 IKEE CCOc1ccccc1-c1nnc(S)n1/N=C\c1c(Cl)ccc(Cl)c1Cl 169912390 QBEDITLKGWKCTM-NKVSQWTQSA-N 427.744 5.475 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccc(O)cc2)cc1 169963661 YULLMDQNQXJZCV-JOCHJYFZSA-N 435.426 5.016 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(F)c(F)c2)c1 169968443 NYMPQUAUTRSYKI-NRFANRHFSA-N 439.845 5.710 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc(C)c2)cc1 169969384 ZZBVQSNYSIPWOF-XMMPIXPASA-N 427.500 5.485 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(OC(C)C)cc2)cc1 169977553 MJKPPJYVOFSCCG-XMMPIXPASA-N 443.499 5.265 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(CC)cc3)[C@H]2c2cccs2)cc1 169984979 YTPGNCMQBMDOMH-JOCHJYFZSA-N 433.529 5.492 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(C)c(C)c2)=C(N2CCc3ccccc32)C1=O 170001595 UIQCSKYNDTVHDW-UHFFFAOYSA-N 430.592 5.807 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2c[nH]c3ccccc23)c1 170074385 BJHGCVLOHAWUNX-RUZDIDTESA-N 436.511 5.876 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2cccc(O)c2)cc1 170082179 IKAFPCRFTDJDLH-JOCHJYFZSA-N 435.426 5.016 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2c(C)[nH]c3ccccc23)c1 170103952 DXQNZTRPCZOQSI-DEOSSOPVSA-N 440.499 5.465 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@H]1c1cccc(OC)c1 170120636 GAARUKHCODWAIR-HSZRJFAPSA-N 437.536 5.124 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccnc2)cc1C(C)(C)C 170194076 JCSNXCRFQQCFND-HSZRJFAPSA-N 448.563 5.299 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccncc2)c1 170200352 AVSGFBMUHGCTMK-VWLOTQADSA-N 438.527 5.360 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(OCC)cc1 170214460 MDNHUDSEPSSTSS-HSZRJFAPSA-N 437.536 5.171 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2)cc1C 170227246 ULTXZJLWXIZQHR-XMMPIXPASA-N 427.500 5.485 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(F)cc1 170242225 DCGSTHDNJGIQOF-JOCHJYFZSA-N 437.511 5.362 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1ccccc1F)c1cccc2ccccc12 170248846 QNNSDRNLVFGHBR-XMMPIXPASA-N 439.442 5.467 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@@H]1c1ccccc1F 170252732 JJRLOPWCSWMKEY-IBGZPJMESA-N 431.891 5.175 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1cccc(O)c1 170259381 BGCNEMMKHWXYRP-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccco2)cc1 170283277 IUADTQBHIHKURN-XMMPIXPASA-N 427.500 5.504 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@@H]2c2ccco2)cc1C 170283424 UAEGBBFDLLUSNA-XMMPIXPASA-N 445.515 5.722 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(Cl)c2)[C@H]1c1ccco1 170288368 LCWOVRSIVLQUKE-NRFANRHFSA-N 437.879 5.341 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2c2ccccc2)o1 170302825 FESRJWHJWSLIKU-LJQANCHMSA-N 428.271 5.678 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(C)o2)c1 170304468 NAUDTQFAISFYEE-QFIPXVFZSA-N 429.428 5.131 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccc(F)cc2F)o1 170305867 UZGMURYYJZYBDE-FQEVSTJZSA-N 427.378 5.097 30 10 IKEE CC(=O)Oc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)cc(C)c2)cc1 170406731 VNCLOVZAZJEETB-QFIPXVFZSA-N 447.512 5.073 30 10 IKEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2cccc3ccccc23)[C@@H]1c1ccc(C(C)(C)C)cc1 170469642 GXVMUSQSVKEJFR-XMMPIXPASA-N 441.571 6.653 30 10 IKEE C(\Nc1ccccc1)=C1/CCC(/C=N/c2ccccc2)=C1N(c1ccccc1)c1ccccc1 201354682 GXBQJYINGLJJDR-FKHLEABFSA-N 441.578 8.271 30 10 IKEE COc1ccccc1/C=C1/SC(=Nc2ccc(C)c(C)c2)N(c2ccc(C)c(C)c2)C1=O 252592785 BHJMIYJHPKGHJO-FOQODDTFSA-N 442.584 6.737 30 10 IKEE Cc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 526523306 WNXNDCAFSRZUDK-JOCHJYFZSA-N 445.862 5.486 30 10 IKEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(C(C)C)cc1 526744637 WJVYKPNLVCLORQ-DEOSSOPVSA-N 445.946 6.555 30 10 IKEE CCCCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccccc2)cc1OCC 526799852 QHVFRHIGZPJGCK-UQQQWYQISA-N 438.597 5.593 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1cccc(OC)c1OCC 526803466 ZZNLRSMLWOGZRQ-MYYYXRDXSA-N 442.560 5.342 30 10 IKEE CCOc1cc(/C=N\n2cnnc2SCc2ccc(C)cc2C)cc(Cl)c1OCC 526810686 HPFFABXELCVXMA-ROTLSHHCSA-N 444.988 5.520 30 10 IKEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1cccc(C(F)(F)F)c1 526811392 JTCXSBPZAKHPGC-ROTLSHHCSA-N 438.906 6.077 30 10 IKEE CCCOc1ccc(/C=N\n2c(CCC)nnc2SCc2cccc3ccccc23)cc1 526821102 AVRKNTGTLCSJII-IMRQLAEWSA-N 444.604 6.347 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccc(OC)c(O)c1 526821418 RPADHHCNYWXXMA-MYYYXRDXSA-N 432.549 5.273 30 10 IKEE CCOc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2ccc(C(C)C)cc2)cc1 586253134 WBAJUPPFMTVLNR-UHFFFAOYSA-N 434.561 5.476 30 10 IKEE C[C@@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)CN1C(=O)OC(C)(C)C 698858348 LRAYANNREFWXEH-MWTRTKDXSA-N 433.524 5.249 30 10 IKEE CC1(C)OB(CCC[C@H](N)c2c(C(F)(F)F)ccc(Br)c2O)OC1(C)C 725274614 NCVPEXLPQIBRIX-LBPRGKRZSA-N 438.093 5.046 30 10 IKEE C=C(C)CNC(=S)/C(=C(/O)c1cc(Cl)ccc1Cl)[n+]1ccc2c(c1)CCCC2 839408060 IJXDHNVTRXHIIK-UHFFFAOYSA-O 434.412 5.537 30 10 IKEE Clc1cccc(Cl)c1C=NNc1nc(-c2ccc(Br)cc2)cs1 1084053380 CLCMBEHFVMOZAA-UHFFFAOYSA-N 427.154 6.325 30 10 IKEE COC(=O)C(=NNc1ccccc1C)Sc1ncc(-c2ccccc2)n1-c1ccccc1 1084567127 RITFHMQVWOATAM-UHFFFAOYSA-N 442.544 5.538 30 10 IKEE CCOC(=O)[C@]1(C#N)C(=O)/C(=C/C=C/c2ccccc2)SC1=Nc1ccccc1Cl 1088727160 PJNZJNXJYJYYTC-VIANYPLDSA-N 436.920 5.356 30 10 IKEE Cc1ccc(-n2c(C)cc3c2CC(C)(C)CC3=NOC(=O)Nc2ccc(Cl)cc2)cc1C 1772728772 YQHWQJFSNGYPCM-UHFFFAOYSA-N 449.982 6.981 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=Nc1cccnc1 1772730888 FJMNOIFFDBXBAL-YENWFTGLSA-N 430.316 5.882 30 10 IKEE O=C1/C(=C\c2ccccn2)SC(=Nc2nc(-c3ccccc3)cs2)N1c1ccccc1 1772735326 HFMJUDXIMURBTB-ZJRBDENDSA-N 440.553 6.014 30 10 IKEE Cc1ccc(-n2cc(/C=N\NC(=S)Nc3cccc(F)c3)c(-c3ccc(F)cc3)n2)cc1 1857811837 GQZQBOYRFYEMMT-VYYCAZPPSA-N 447.514 5.446 30 10 IKEE N#Cc1ccc(COc2cccnc2NC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 1858827089 LSSRXFPNBUDHEG-UHFFFAOYSA-N 448.526 5.767 30 10 IKEE COc1ccc(-n2nc(C(=O)Nc3ccccc3C#N)cc2-c2ccc(Cl)cc2)cc1 1859387355 HTECQTJLMBKHQC-UHFFFAOYSA-N 428.879 5.325 30 10 IKEE C=CCN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)[C@H]1CCN(Cc2ccccc2)C1 1860029975 BCAMPGWHBDELRZ-XLIONFOSSA-N 433.379 5.050 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)CCCOc1ccc(CC)cc1 1861714139 DMBZJIHGVIDJCG-RUZDIDTESA-N 444.660 5.656 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1cccc(C)c1 1862379954 PPDCKBBLXMFXAR-HXUWFJFHSA-N 448.346 5.307 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1cccc(F)c1)c1ccccc1Cl 1862430118 CJTWBFRRFAIEOJ-NRFANRHFSA-N 427.903 5.780 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1cccc(O)c1)c1cccc(Cl)c1 1862444339 ZQKZJBRYCFCSHX-OAQYLSRUSA-N 425.912 5.347 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 1862445013 MIHUTKYMQUCWMY-HXUWFJFHSA-N 448.346 5.387 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2cccc(F)c2)cc1 1862474115 LALPKWNGZRNVLY-QHCPKHFHSA-N 433.454 5.094 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccccc1F 1862490184 PHICKJIBYSSZBF-NTKDMRAZSA-N 437.555 6.380 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 1862494765 PNMDLHSUDGSIAA-XMMPIXPASA-N 449.591 5.604 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2cccc(C)c2)cc1 1862534455 UCSIMXURJMFZSY-VWLOTQADSA-N 425.528 5.644 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2cccc(Cl)c2)c1 1862556693 CERPHEVNMVUKOG-QFIPXVFZSA-N 436.939 5.391 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C2CCCC2)c1 1862618512 FQZQDBMKCYPXID-DEOSSOPVSA-N 447.575 5.904 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(F)cc2F)cc1 1862660245 HTXBETFZHHXVFD-QFIPXVFZSA-N 425.475 5.609 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(Cl)cc1 1862661523 QZMDXWCVAKIXMY-JOCHJYFZSA-N 425.956 6.088 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCC(C)C)c1 1862663822 CCLYZMSYBVKOJZ-DEOSSOPVSA-N 435.564 5.833 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccc2ccccc12 1862667255 WXSYNEAJDHJPHU-SANMLTNESA-N 441.571 6.732 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 1862683867 VTHNIIROEBHVRA-LJQANCHMSA-N 435.417 5.469 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc(F)c1 1862687560 MQCGUNDNTBWIAY-OFNKIYASSA-N 439.527 5.772 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2cccc(Cl)c2)c1 1862700514 IKUVFGJVCBJHFW-HSZRJFAPSA-N 447.918 5.436 30 10 IKEE Cc1ccc(C)c(NC2=C(c3cccc4ccccc34)C(=O)N(c3ccccc3C#N)C2=O)c1 1862854103 LXXBSDTVPVVYKF-UHFFFAOYSA-N 443.506 5.725 30 10 IKEE Cc1ccc(NC2=C(c3ccccc3Cl)C(=O)N(c3cccc(C#N)c3)C2=O)c(C)c1 1863076560 SJFWYLYWTYTRKV-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccccc2F)=C(c2ccc(OCC)cc2)C1=O 1863204761 WOURLGLKIOBGSN-UHFFFAOYSA-N 438.543 5.777 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCC(C)C)=C(c2ccc(F)cc2F)C1=O 1863657237 PVMJOFXPSYHAIY-UHFFFAOYSA-N 434.571 5.821 30 10 IKEE CC[C@H](C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(C#N)cc1)c1ccc(Cl)cc1 1866957301 SNNOHLAWKAHNRW-BJKOFHAPSA-N 445.950 5.071 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)CCCCCC)n(-c2ccc(Br)cc2)n1 1870004561 DPAAXKCICZSIHQ-UHFFFAOYSA-N 446.393 5.117 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OCCC)c(=O)cc1CN1C[C@@H](C)C[C@@H](C)C1 1870331147 YNNHZFJRPLQHNH-SZPZYZBQSA-N 448.648 5.019 30 10 IKEE CCCCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CN1C[C@H](C)O[C@@H](C)C1 1870611895 DRDRLEGAIMCITQ-ZEQRLZLVSA-N 446.676 5.943 30 10 IKEE C=CCOc1cn(CCc2c[nH]c3ccccc23)c(CNc2ccc(OC)cc2C)cc1=O 1870808915 GXEAJDQOZQPAIV-UHFFFAOYSA-N 443.547 5.066 30 10 IKEE C=CCOc1cn(CCc2ccc(OC)cc2)c(CNc2cc(Cl)ccc2C)cc1=O 1870810473 DSUXGMLDILGQQV-UHFFFAOYSA-N 438.955 5.238 30 10 IKEE C=CCOc1cn(Cc2ccc(O)cc2)c(CNc2ccc(Cl)c(Cl)c2)cc1=O 1870813977 OBYYARQUWJCSML-UHFFFAOYSA-N 431.319 5.086 30 10 IKEE C#CCOc1cn(CCc2ccc(F)cc2)c(CNc2ccc(CCCC)cc2)cc1=O 1871004760 WCWKBWFZFNHGDP-UHFFFAOYSA-N 432.539 5.197 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1nc(-c2ccc(C)cc2)sc1-c1ccc(F)cc1 1871284921 XZEILSFWCJGBBE-UHFFFAOYSA-N 428.554 5.287 30 10 IKEE CCCOc1ccccc1/C=C/C(=O)Oc1cc(C)c2c(c1)O/C(=C\c1cccnc1)C2=O 1871375732 ACKURTVVBQKBGT-BXRLCHJWSA-N 441.483 5.414 30 10 IKEE O=C(/C=C/c1ccc(-c2ccccc2)cc1)Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O 1871383642 PQNPZPPVVNRVIL-YJCBZZKFSA-N 434.447 6.182 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4cccc(OC(C)C)c4)c3C)C2=O)cc1 1871388088 HRGWXQMNJLCFHU-MYYYXRDXSA-N 442.511 6.180 30 10 IKEE C=CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(OC)c2)C3=O)c1 1871389181 XQEWYVJHLVEMLT-OYKKKHCWSA-N 442.467 5.404 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCCCCOc4ccccc4)cc(C)c3C2=O)c1 1871403662 STAJAXHVKDVIEB-UQQQWYQISA-N 430.500 5.858 30 10 IKEE Cc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2)C3=O)cc1Cl 1871456487 HNHSGLNPOXYEDJ-UUYOSTAYSA-N 433.891 5.591 30 10 IKEE C=CCN(CC=C)c1nc(=NCCC2=CCCCC2)nc(Nc2ccc(CCCC)cc2)[nH]1 1871502082 ZYXZSQRDDQLSHQ-UHFFFAOYSA-N 446.643 5.861 30 10 IKEE CCOC(=O)Oc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)cc1 1872765696 VDFBJNHZQYPNOZ-SFHVURJKSA-N 436.489 5.153 30 10 IKEE COc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3c[nH]c4ccccc34)cs2)c(OC)c1 1872777694 TYSSWFKGZKXTLI-XSFOEPMVSA-N 429.501 5.198 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)s3)n2)cc1C(C)C 1872779043 AFMHHJOZEZIVDO-HNNXBMFYSA-N 430.982 6.456 30 10 IKEE CCCCCCCCCCNC1=C(c2c(Cl)cccc2Cl)C(=O)N(CCC)C1=O 1873093857 ABZYDYNGKTZWCW-UHFFFAOYSA-N 439.427 6.214 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@H]2CCCC[C@@H]2C)=C(c2cccs2)C1=O 1873156037 RINRLLLMEDBDIE-PMACEKPBSA-N 430.658 6.137 30 10 IKEE COc1cccc(/C=N/n2c(CCCOc3ccc4ccccc4c3)nnc2SC)c1 1874198408 ZYLQXEAAZKRHAV-KOEQRZSOSA-N 432.549 5.056 30 10 IKEE CCCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1sccc1C 1874218098 USPQQBQRCLMMBO-SSDVNMTOSA-N 435.018 5.882 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1ccc(OC)c(OC)c1 1874287816 YZEVJPBWOXHJOO-KOEQRZSOSA-N 442.629 5.920 30 10 IKEE Cc1ccc(CSc2nnc(COc3c(C)cccc3C)n2/N=C/c2ccncc2)cc1 1874298736 PMSAGJQRALOHPL-JFLMPSFJSA-N 443.576 5.352 30 10 IKEE CCOc1ccc(Cc2nnc(SC)n2/N=C/c2c(OC)ccc3ccccc23)cc1 1874302143 JGJJZRNGEVWGKL-PCLIKHOPSA-N 432.549 5.034 30 10 IKEE Cc1ccsc1/C=N/n1c(Cc2cccs2)nnc1SCc1ccccc1Cl 1874413489 WRBFLKSMYQIVMO-WSDLNYQXSA-N 445.038 6.128 30 10 IKEE CC(C)c1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2cccc(Cl)c2)cc1 1874440847 WQUZVLPUUFFMTC-CVKSISIWSA-N 441.044 6.818 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2ccccc2C)cc1C 1874452390 SUPYVYBHPXSLBE-CVKSISIWSA-N 447.608 5.474 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2cc(C)ccc2C)nnc1C1CCCC1 1874455712 HPIOQAAPCMBVGS-WPWMEQJKSA-N 448.636 6.516 30 10 IKEE Cc1ccsc1/C=N/n1c(SCc2c(F)cccc2Cl)nnc1C(F)(F)F 1874463752 ZSAWDJYLFJYZIS-QPJQQBGISA-N 434.871 5.634 30 10 IKEE Cc1ccccc1/C=N/n1c(SCc2c(Cl)cccc2Cl)nnc1C(C)(C)C 1874484810 PHMLVKNRQDLMKT-WYMPLXKRSA-N 433.408 6.365 30 10 IKEE Clc1ccc(CSc2nnc(C3CCC3)n2/N=C/c2cccc3ccccc23)cc1 1874496886 JNBHKUPDINIYIF-CVKSISIWSA-N 432.980 6.527 30 10 IKEE CCCOc1ccccc1/C=N/n1c(COC)nnc1SCc1c(F)cccc1Cl 1874504135 IANVQJVFWCEXCJ-WYMPLXKRSA-N 448.951 5.180 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1c(Cl)cccc1Cl 1874526386 ZFEOXLKBHQHDIV-DHRITJCHSA-N 441.387 6.475 30 10 IKEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1cccc2ccccc12 1874535175 AZYLLIWOZKWGGC-WYMPLXKRSA-N 427.360 6.221 30 10 IKEE Sc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1ccc(Cl)cc1Cl 1874569538 BFVUYIJHTJTZCU-QPSGOUHRSA-N 448.162 5.642 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2ccccc2C)cc1 1874578062 TVJHRIQHGHBZIS-SAPNQHFASA-N 445.515 5.316 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(Cl)cc(OC)c1OCc1ccc(C)cc1 1874581311 HMANCPWFNKRZHV-ZHACJKMWSA-N 436.935 6.449 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3ccccc3Cl)c2)cc1OC 1874593769 BAXMLSADKSQMST-DHZHZOJOSA-N 438.907 5.841 30 10 IKEE O=C(COc1cccc(/C=C/C(=O)c2cccc3ccccc23)c1)Nc1ccc(F)cc1 1874597628 WOLSXDXLIKEIMP-LFIBNONCSA-N 425.459 5.893 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2cccc(OCC(=O)N[C@H](C)c3ccccc3)c2)cc1 1874597996 NUSQTYYFIRKQQX-GUOCTKQSSA-N 427.544 5.962 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Cl)c1OCc1cccc(C)c1 1874612397 SHAANUVDMQGXGZ-MDZDMXLPSA-N 427.327 6.786 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OCc1ccc(C(=O)OC)o1 1874614939 YJKLHFZQNQJEBZ-PKNBQFBNSA-N 440.879 5.593 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1cccc2ccccc12 1874623617 MHUIEEYKCSLNAL-GXDHUFHOSA-N 443.886 6.877 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 1874625310 WXZCHSCSKVWNOJ-WUXMJOGZSA-N 448.450 5.264 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OCc1cccc(C)c1 1874633314 WPRBARNHMSVEEO-WYMLVPIESA-N 426.556 6.824 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c(C)c1 1874634189 PFWKORJBSRWNPU-UXBLZVDNSA-N 435.907 6.649 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3ccccc3OC)ccc2OC)cc1 1874698611 FUIJFQOFEVGUGD-OQLLNIDSSA-N 432.472 5.218 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3cccc4ccccc34)c2)cc1 1874709850 LKRDIQBACKPKJW-QGOAFFKASA-N 434.535 7.007 30 10 IKEE CCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1Br 1875078668 XEEWWVKVEKJSGJ-RIYZIHGNSA-N 435.317 6.328 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3cccs3)c(Br)c2)c1 1875102101 LPJRFQNKVRYWCK-VQHVLOKHSA-N 443.318 5.635 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)c(OC)c2)c1 1875104373 TZFBTNZRMYWLMR-OQLLNIDSSA-N 444.527 6.117 30 10 IKEE O=C(Cc1ccc(F)cc1)Oc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1 1875108880 KWZUUXANWBFPGS-LHHJGKSTSA-N 439.280 5.632 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Cl)c(OC(=O)Cc2ccccc2)c(OC)c1 1875118191 PRHOIOQTZFMBQS-OUKQBFOZSA-N 436.891 5.401 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)c1cccnc1 1875122999 RNTRAHDXQMCBKG-RUDMXATFSA-N 428.271 5.512 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)Cc1ccc(OC)c(OC)c1 1875128414 FPRPDCICUCCECY-JLHYYAGUSA-N 446.499 5.147 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3[N+](=O)[O-])cc2)cc1 1875136371 LQRZCKIDDPHXQW-CXUHLZMHSA-N 445.471 5.428 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC(=O)[C@@H](C)c1ccccc1 1875139793 AFRQWHMECWJIPF-AXDNMFEOSA-N 428.528 6.307 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccccc1C 1875149360 MIRBWWFZGDOBAO-GZTJUZNOSA-N 442.555 6.807 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OC(=O)c1ccc(F)cc1 1875154634 OJWCYGNISKKUEG-OQLLNIDSSA-N 426.443 6.103 30 10 IKEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2Cl)cc1C 1875155783 SWVOISJADDSRRC-NTUHNPAUSA-N 446.974 7.124 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)CC(C)(C)C)c(Br)c2)cc1 1875156078 ZXHYUHDMUOYYGN-WUXMJOGZSA-N 443.381 6.810 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OC(=O)c1ccco1 1875170470 ZVPGPOMCVWHGDV-VAWYXSNFSA-N 444.527 6.366 30 10 IKEE CC(C)(C)OC(=O)N1CCC([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)CC1 1944715604 SGTNFDSAKFBWBK-LJQANCHMSA-N 449.979 5.621 30 10 IKEE CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2014633579 CVRFENZGEIGUEE-DVECYGJZSA-N 429.561 5.356 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@H](NC(=O)OC(C)(C)C)C(C)C 2028028072 RDUFOVXZLARSKG-DVECYGJZSA-N 447.576 5.268 30 10 IKEE CC(C)N[C@]1(C#N)CCC[C@H](CN(CCN(C)Cc2ccccc2)Cc2ccccc2)C1 2034739856 QUJKQICHTSBTFY-WUFINQPMSA-N 432.656 5.071 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1)[C@@]1(C#N)CN(Cc2ccccc2)C2(CCCC2)C1 2038666707 SLMNDWWLKVWSRI-MHZLTWQESA-N 431.580 5.909 30 10 IKEE O=C(C=Cc1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 2040837575 UQROHMZONSZAES-UHFFFAOYSA-N 437.483 5.166 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C1(C)C 2053052470 QDLBVRBANURVJO-UPCLLVRISA-N 447.551 5.400 30 10 IKEE ON=Cc1c(C(F)(F)F)nn([C@H](c2ccc(C(F)(F)F)c(F)c2)C2CC2)c1Cl 2079843584 HYQZDCDZHXUNKJ-LBPRGKRZSA-N 429.723 5.521 30 10 IKEE Cc1ccc([C@@H](C(C)C)n2nc(C3CCC3)c(C=NO)c2Br)c(F)c1F 2079902775 JDYYJXBHWZYIIH-GOSISDBHSA-N 426.305 5.553 30 10 IKEE CC(C)(C)[C@H](c1ccc(C2CCC2)cc1)n1nc(C2CCC2)c(C=NO)c1Br 2079957403 OPZSRMOERSJQQM-NRFANRHFSA-N 444.417 6.624 30 10 IKEE C=C(c1ccccc1)[C@H](NCC)c1cc(I)ccc1Br 2197139143 FJBJSGMSNPBUBF-KRWDZBQOSA-N 442.138 5.418 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCC)c2cc(F)c(Br)cc2F)C1 2198196204 PWWPFDNFLIMDNO-KRWDZBQOSA-N 445.348 5.239 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCC[C@]2(C#N)N(C(=O)OC(C)(C)C)C2CCC2)C1 2213335979 LFFSQMCLKJQUHV-RGZWJVDOSA-N 433.593 5.095 30 10 IKEE C=CCCCCCCC[C@H](CCCN(Cc1ccccc1)C(=O)OC(C)(C)C)NCC 2214619791 WPVYNLIKPBWJTC-RUZDIDTESA-N 430.677 7.099 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@@H](N)C#Cc2ccccc2Br)cc1Cl 2227496481 SWVOAGIPZIISNX-KRWDZBQOSA-N 435.749 5.501 30 10 IKEE C=C(CC)C[C@@H](NCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229110736 TUEIVNSCQWCPPL-MOPGFXCFSA-N 425.411 5.219 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[C@@H]2Nc2ccc(Br)c(C#N)c2)C1 2233774297 FMSYSZAEDGPOHK-BJZITVGISA-N 434.378 5.158 30 10 IKEE CN[C@H](C#Cc1ccccc1Br)[C@H](C)CCC[C@H](C)NC(=O)OC(C)(C)C 2235724418 IEQOJFVTFGIGJJ-FUHIMQAGSA-N 437.422 5.108 30 10 IKEE CN[C@H](C#Cc1cccc(Cl)c1)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2239567400 FMFCUYLBFIPUIY-LJQANCHMSA-N 449.776 5.762 30 10 IKEE CC[C@@H](C)N(Cc1ccccc1)C(=O)c1sc(C)c(B2OC(C)(C)C(C)(C)O2)c1C 2247933454 XLQMBDHYXVWCGX-MRXNPFEDSA-N 427.419 5.105 30 10 IKEE CCN[C@@H](CC=CC#CC(C)(C)C)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2248482128 SWUVJDPWHOZLAS-GOTSBHOMSA-N 428.617 5.070 30 10 IKEE C=CCCC1([C@@H](O)c2cccc(Br)c2Cl)CN(C(=O)OC(C)(C)C)C1 2254928288 ZWSHDJUGJGJGRY-INIZCTEOSA-N 430.770 5.339 30 10 IKEE Cc1c(Cl)cc(C(=O)N(Cc2ccccc2)CC(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255814735 CRDNEBUZLGOEPM-UHFFFAOYSA-N 441.808 5.246 30 10 IKEE CC1(C)OB(c2c(Cl)cccc2C(=O)N(Cc2ccccc2)CC2CCC2)OC1(C)C 2256105944 SDRURNUVLXSLQJ-UHFFFAOYSA-N 439.792 5.082 30 10 IKEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)c1ccc(NC(=O)OC(C)(C)C)cc1 2261829932 SDJNILYKHGOXBE-HSZRJFAPSA-N 441.524 5.339 30 10 IKEE C=C(C)C[C@@H](OCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2261839778 GCTMXYAHOXBRIU-RUZDIDTESA-N 432.516 5.953 30 10 IKEE O=C1NC(=Nc2cccc(C(F)(F)F)c2)SC1=Cc1ccc(O)c(Br)c1 2295499410 OZIYDCKYRPBCEY-UHFFFAOYSA-N 443.244 5.065 30 10 IKEE CCCCCCCCOc1ccc(C=C2SC(=S)N(Cc3ccccc3)C2=O)cc1 2296012224 KBHLWPHKHGBRGO-UHFFFAOYSA-N 439.646 6.827 30 10 IKEE CCN1C(=O)C(=Cc2cc(Cl)c(O)c(Cl)c2)SC1=Nc1cccc(C(=O)O)c1 2296412371 LNYIDULUVMLUKA-UHFFFAOYSA-N 437.304 5.021 30 10 IKEE CCCCCCCN1C(=O)C(=C2SC(=S)N(CCCCC)C2=O)c2ccccc21 2296700223 MUERCCAEQMPNJC-UHFFFAOYSA-N 430.639 5.765 30 10 IKEE Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)C=Cc3cc(Cl)ccc3O)cc2)cc1 2297462465 WUFMTJSBUSOEBA-UHFFFAOYSA-N 427.909 5.051 30 10 IKEE CC(C)c1ccc(C=C2Oc3c(ccc4c3[C@H](c3ccc(O)cc3)CC(=O)O4)C2=O)cc1 2297591917 OMHSTCAJNFYUBR-NRFANRHFSA-N 426.468 5.573 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1CCC[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C 2312592031 XUTLEOYXOOHZJV-CXSMSNRLSA-N 442.644 5.553 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc3C2=O)cc1 2314437325 JFYPJUOPKOVRNV-UHFFFAOYSA-N 426.512 6.382 30 10 IKEE C=CCc1ccccc1OCCn1c(CCCCCNC(=O)C=CC)nc2ccccc21 2314884336 GPLBIFZSRQXCJP-UHFFFAOYSA-N 431.580 5.249 30 10 IKEE N#Cc1nc([C@H]2C[C@@H]2c2ccccc2)oc1NN=Cc1ccc(OC(=O)c2ccccc2)cc1 2320837043 IBVIJOUYVVHZSP-PKTZIBPZSA-N 448.482 5.483 30 10 IKEE CC(C)Cc1nnc(S)n1N=Cc1ccccc1OCc1ccc(Cl)cc1Cl 2321906790 HBLDOQVVGDPOLL-UHFFFAOYSA-N 435.380 5.533 30 10 IKEE CCOc1cc(C=Nn2c(S)nnc2C2CCCC2)ccc1OCc1ccccc1C 2321928085 XPSQJRCVRAYURQ-UHFFFAOYSA-N 436.581 5.393 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1c(F)cccc1Cl)O3)CN(Cc1ccco1)CO2 2321962567 OUOFFOGHMCMTSC-UHFFFAOYSA-N 425.843 5.349 30 10 IKEE Cc1ccc(C)c(CN2COc3cc(C)c4c(c3C2)OC(=Cc2cccc(Cl)c2)C4=O)c1 2322170926 OTUAJZNYWUSQGE-UHFFFAOYSA-N 445.946 6.234 30 10 IKEE C[C@H](c1ccc2c(c1)CCCC2)N1COc2ccc3c(c2C1)OC(=Cc1ccco1)C3=O 2322256224 UMBZZHKUAPMODG-QGZVFWFLSA-N 427.500 5.688 30 10 IKEE COc1ccc(C=C2Oc3c(cc4c(c3C)OCN([C@@H](C)c3ccccc3)C4)C2=O)cc1 2322371201 SJWGDXGCRYQVQC-SFHVURJKSA-N 427.500 5.533 30 10 IKEE O=C(C=Cc1cc(Br)ccc1OCc1ccccc1)c1ccc(F)c(F)c1 2322775611 DSFDFULLFOOKKK-UHFFFAOYSA-N 429.260 6.202 30 10 IKEE Cc1cc(OC(=O)c2cc3ccccc3o2)cc2c1C(=O)C(=Cc1c(F)cccc1Cl)O2 2322843444 PMPLRXMOTZQCAT-UHFFFAOYSA-N 448.833 6.369 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1 2323076331 RGRGMCGQIIXNTB-UHFFFAOYSA-N 439.382 7.811 30 10 IKEE CCCOc1ccc(C=CC(=O)C(=O)N(Cc2ccccc2)c2ccccc2)cc1OC 2323222977 NEVUZIKPTQJEII-UHFFFAOYSA-N 429.516 5.300 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3Cl)c([N+](=O)[O-])c2)cc1C 2323562017 VIOSDVKGNMZXGN-UHFFFAOYSA-N 437.879 6.040 30 10 IKEE Cc1c(OC(=O)c2cccc(OCC(C)C)c2)ccc2c1OC(=Cc1ccccc1F)C2=O 2323580279 SODXYWLFUGKYSE-UHFFFAOYSA-N 446.474 6.004 30 10 IKEE CSc1nnc(COc2ccccc2)n1N=Cc1ccccc1OCc1ccccc1 2323589641 LUBAQTMDOULNAC-UHFFFAOYSA-N 430.533 5.040 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Cl)c1OCc1ccccc1F 2323758407 HTIGYYIVASEWQN-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OCC(=O)Nc1ccccc1C 2323777337 ANKXYUNXAJRCKH-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE COc1ccc(C=C2Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccc(F)cc4)c3C)C2=O)cc1 2324312677 JJRBVDZDQGXZQE-INIZCTEOSA-N 447.462 5.165 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OCc1ccc([N+](=O)[O-])cc1 2324356698 LWWDWFHMKPPAQE-UHFFFAOYSA-N 445.515 6.312 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OCCc2ccccc2)c([N+](=O)[O-])c1 2324372095 APDZBDPLLUMKAG-UHFFFAOYSA-N 431.488 5.738 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OCc1ccc(C(=O)OC)o1 2324455436 PPGMOBRMHAHYEX-UHFFFAOYSA-N 434.488 5.557 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc3ccccc23)cc1)c1cc(Cl)ccc1Cl 2324651751 JSDKCCOJPCHPEV-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE COC(=O)c1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc1 2324788059 LZDWJIFQLTVJSV-HXUWFJFHSA-N 430.529 5.412 30 10 IKEE O=C1C(=Cc2ccccc2)Oc2cc(OCC(=O)N(c3ccccc3)c3ccccc3)ccc21 2324860953 ZEJPNCXPGVFEJB-UHFFFAOYSA-N 447.490 6.047 30 10 IKEE O=C1C(=Cc2ccc([N+](=O)[O-])cc2)Oc2cc(OC(c3ccccc3)c3ccccc3)ccc21 2325215911 APMPDGDIULAZOW-UHFFFAOYSA-N 449.462 6.379 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4c(C)cccc4C)cc(C)c3C2=O)cc1 2325494432 XQKYFLIOPWDSRF-UHFFFAOYSA-N 427.500 5.554 30 10 IKEE CCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(N(CC)CC)cc1 2325610659 NVQVPWHIABMWPL-UHFFFAOYSA-N 445.995 5.654 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4c(C)cc(C)cc4C)ccc3C2=O)cc1 2325736679 YCOHTCRNNYEHDG-UHFFFAOYSA-N 427.500 5.554 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1OC(=O)[C@H](C)c1ccccc1 2325745052 KACISFRUNWJHRI-GOSISDBHSA-N 444.483 5.072 30 10 IKEE COc1cccc(C(=O)Oc2cc(C=CC(=O)c3ccc(C(C)(C)C)cc3)ccc2OC)c1 2325745842 MUIWEWJXRUGEQG-UHFFFAOYSA-N 444.527 6.117 30 10 IKEE O=C(CCCOc1ccccc1)Oc1cccc(C=CC(=O)c2ccc3c(c2)OCO3)c1 2325747510 VTAUFGRYTQXDHX-UHFFFAOYSA-N 430.456 5.076 30 10 IKEE CCOc1cc(C=Nn2c(CC)nnc2SCc2ccc(Cl)cc2)ccc1OC 2326350628 WAXGKVPUEMQBOS-UHFFFAOYSA-N 430.961 5.076 30 10 IKEE Cc1cc(C)cc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccccc2O)c1 2326418053 SWAZIUNHAZUZKY-UHFFFAOYSA-N 442.588 5.560 30 10 IKEE Cc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1cccc(Cl)c1Cl 2326698926 MZARWKILCRSIBM-UHFFFAOYSA-N 446.190 6.375 30 10 IKEE C=CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccccc1Cl 2326924293 DFYFQTYRLAQMHL-UHFFFAOYSA-N 427.017 5.851 30 10 IKEE C=CCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccc(OCC)cc1 2327288907 RMOZBNPJEQQSIC-UHFFFAOYSA-N 436.581 5.341 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccccc1 2327716098 SHZYVLPWKYRWRH-UHFFFAOYSA-N 448.595 6.505 30 10 IKEE CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1cc(Br)ccc1F 2329065182 OEKBXJWPZISJMR-UHFFFAOYSA-N 439.741 5.028 30 10 IKEE C=CCSc1nnc(CCc2ccccc2C)n1N=Cc1ccc(Cl)c(Cl)c1 2329499878 VNNMLMNCQVADOT-UHFFFAOYSA-N 431.392 5.839 30 10 IKEE COc1cccc(C=Nn2c(Cc3ccc(C)cc3)nnc2SCCc2ccccc2)c1 2330002174 LWHCGUHCRNXJFU-UHFFFAOYSA-N 442.588 5.403 30 10 IKEE Cc1cccc(CSc2nnc(-c3cccs3)n2N=Cc2cccc3ccccc23)c1 2330549347 PHWVKFJZWYJHOU-UHFFFAOYSA-N 440.597 6.643 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3ccccc3C)nnc2-c2ccccc2)c1 2330635032 TZEVQTWOPJPTEB-UHFFFAOYSA-N 428.561 5.827 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)c1ccccc1OC 2331077949 VDRQTFOWHTVCEQ-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3ccccc3C)nnc2C(F)(F)F)cc1 2331115388 DYKRPSVOEWMQDY-UHFFFAOYSA-N 434.487 5.569 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1ccccc1C 2331371696 FEPPGTRWGNHORQ-UHFFFAOYSA-N 430.500 5.826 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)[C@@H](C)c3ccccc3)c(OC)c2)c1 2331394656 HUEHHXZWFIYWGG-SFHVURJKSA-N 446.499 5.318 30 10 IKEE CC(C)(C)c1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccccc1[N+](=O)[O-] 2331416672 LJMLJMATKQHKKC-UHFFFAOYSA-N 447.923 5.451 30 10 IKEE Cc1cccc(CSc2nnc(CC(C)C)n2N=Cc2ccc(Cl)c([N+](=O)[O-])c2)c1 2331440454 VOUGBRVAFNHEBQ-UHFFFAOYSA-N 443.960 5.521 30 10 IKEE CCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1OC 2331591992 YIBNQBMENUMHTJ-UHFFFAOYSA-N 436.891 6.352 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(C)c3C)cc2)cc1 2331611940 CUCIVFFXFXQRBQ-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)c1cccs1 2331630319 USOVMRSCKCUSJB-UHFFFAOYSA-N 436.529 5.888 30 10 IKEE CCCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1N=Cc1ccc(Cl)cc1 2331637238 XJGBWHBVHWUQRV-UHFFFAOYSA-N 441.988 5.114 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1snnc1C1CC1 2336542893 CKTNYIJHRNSYBC-CQSZACIVSA-N 435.347 5.184 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2c(Cl)ccc(Cl)c2Cl)cc1 2364580114 LQJSNWURKKDCMV-MRXNPFEDSA-N 425.743 6.962 30 10 IKEE Cc1cc(Br)c(OCc2cc(C#N)ccc2F)cc1NC(=O)OC(C)(C)C 2370452761 WLRCRXUZVINXDQ-UHFFFAOYSA-N 435.293 5.694 30 10 IKEE C=CCN(C(=O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)c1ccccc1 11642648 DXQWLSFXVWBTNT-QFIPXVFZSA-N 433.577 5.040 30 10 IKEE CC(C)(C)/N=C1\[C@@H](N2CCSCC2)C(C)(C)C(=S)N1c1cccc(C(F)(F)F)c1 15861717 VYVNJZHNYZKNOM-GUTJXLKISA-N 443.604 5.493 30 10 IKEE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/Nc2oc(C(C)C)nc2C#N)cc1 33959117 DIALCWOBLNRLCP-JFLMPSFJSA-N 440.507 5.367 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Br)cc2)ccc1OC(=O)C1CCCCC1 34955163 LJZQAUDLNWCLII-NTUHNPAUSA-N 443.337 5.840 30 10 IKEE C=CCSc1nnc(NC(=O)c2cc(Cl)c(OCCCCCC)c(Cl)c2)s1 39869107 BFFMQIZRZICEGZ-UHFFFAOYSA-N 446.425 6.334 30 10 IKEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)cc1 41285372 QHQVLUVXGOTFTL-IWIPYMOSSA-N 442.511 6.137 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc(OC(=O)c3ccccc3OC)c2C)C1=O 41285649 TWJLYVDJQPYWRQ-HAHDFKILSA-N 430.456 5.238 30 10 IKEE C=CCN1C(=O)c2c(sc3c2CCCC3)N[C@H]1SCc1cccc(Cl)c1Cl 96592224 AHOXELPSWZCGFT-HXUWFJFHSA-N 439.433 6.204 30 10 IKEE CCCCCCCOc1ccc(NCC(=O)Nc2cccc(OCCCCCC)c2)cc1 100077470 VGOYTQUXZXQDBA-UHFFFAOYSA-N 440.628 7.046 30 10 IKEE CN1C(=O)C[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)S/C1=N\c1ccc(Cl)cc1 100263689 NEFIJKJCXJBNCO-ACNSNUFOSA-N 442.755 5.237 30 10 IKEE CCCCCCCCCn1c([C@@H](C)NC(=O)COc2cc(C)ccc2C)nc2ccccc21 102129637 OKIMJEQYCFONDJ-HSZRJFAPSA-N 449.639 6.660 30 10 IKEE CCCCCCCCn1c(CCCCCNC(=O)c2ccc(C)cc2C)nc2ccccc21 102166124 FYHDJQNMANDHOP-UHFFFAOYSA-N 447.667 7.156 30 10 IKEE CCCCCCCCCCn1c([C@H]2CC(=O)N(CCc3ccccc3)C2)nc2ccccc21 102214718 IOXJGMFIUPHMEF-VWLOTQADSA-N 445.651 6.736 30 10 IKEE O=C1/C(=C\c2cc(Cl)cc3c2OCOC3)Oc2cc(OC/C=C\c3ccccc3)ccc21 102769437 YGYWXFZFWTVZJZ-RKJVNGOZSA-N 446.886 5.915 30 10 IKEE N#Cc1ccc(N2C(=S)C3(CCCCC3)[C@@H](N3CCCCC3)/C2=N/C2CCCCC2)cc1 105422070 SMXIDLKERQIBJL-MSJKFPMMSA-N 448.680 6.242 30 10 IKEE C/C(=C/C(=O)CC(C)C)CCC/C(C)=C/CC/C(C)=C/Cn1cnc2c1c(=O)ncn2C 137536710 YFUQCEYIDJYEII-HLMZKVHVSA-N 438.616 5.535 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@H]2c2ccccc2OC)cc1 169942142 JLLSNPLWTMGMHU-VWLOTQADSA-N 441.527 5.603 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2ccc(O)cc2)c(C)c1 169962914 HVZCILMDFNTYFS-XMMPIXPASA-N 427.500 5.409 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccccn1 169994307 HDQHRYZQFRXXHJ-JOCHJYFZSA-N 443.890 5.308 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@H]2c2cccnc2)c1 170003350 RTVFMMRURALBRF-DEOSSOPVSA-N 440.543 5.779 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 170029366 DMRJICGSBZFNBK-VWLOTQADSA-N 441.527 5.793 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2C2CCCCC2)cc1 170031990 SIOIXNQMUXNUCY-FQEVSTJZSA-N 440.565 5.070 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1 170057672 PLKNGFIBDPEYCM-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE Cn1cc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCC2)c2ccccc21 170085724 ZMPFVXBNHSBHIM-JOCHJYFZSA-N 434.923 5.353 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(N(C)C)cc1 170128911 IMOZBGZRRPGFLO-DEOSSOPVSA-N 432.564 5.010 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)c(C)c2)[C@@H]1c1ccc(O)cc1 170137530 UEZCVUADMVTZHI-QHCPKHFHSA-N 437.536 5.258 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2Cc2cccnc2)c1 170144647 LLXZFAIDJVRIMT-RUZDIDTESA-N 434.495 5.322 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1cccc(C)c1 170147586 JQEQRHYOMLNNQK-XMMPIXPASA-N 435.564 5.859 30 10 IKEE CC(C)(C)c1ccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170149986 SYSZVVVDGXFZAE-UHFFFAOYSA-N 439.490 5.391 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@H]2c2ccccn2)cc1 170174443 OXPIWGWUWJWWJQ-XMMPIXPASA-N 442.515 5.269 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1ccccn1)c1cccc2ccccc12 170176601 HSROQBJOMRUKMX-HSZRJFAPSA-N 442.421 5.296 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccncc1 170199374 HUHNWYWCBRHMES-HSZRJFAPSA-N 444.506 5.610 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccncc2)c(C)c1 170205414 KOJWRXGYUXVIGQ-DEOSSOPVSA-N 442.515 5.269 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccncc2)cc1C 170205718 ZGMDHAKWJQNIPS-DEOSSOPVSA-N 442.515 5.107 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccccc2)cc1 170224218 QXDTVHIIRSXWFU-DEOSSOPVSA-N 427.500 5.349 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(C(C)C)cc1 170245271 HNSITIGPZVXRNY-NRFANRHFSA-N 446.374 6.495 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)C)c2)[C@H]1c1ccccc1F 170252517 WZVMOZAQXKLCKM-HSZRJFAPSA-N 439.527 5.726 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2C)ccc1OCC(C)C 170278519 IKZWKTJZMVBNRY-RUZDIDTESA-N 447.575 5.859 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(C)o2)c1 170302220 VCXYWZKVOQYGNI-OSPHWJPCSA-N 443.499 5.311 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C)o2)ccc1Cl 170306957 QHFOBKYQHPRTIU-FQEVSTJZSA-N 441.867 5.012 30 10 IKEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(OC(C)C)cc2)c1 170346562 RTHONAMYIXNXPM-DEOSSOPVSA-N 443.499 5.265 30 10 IKEE O=C(CSc1nc2ccc(N=Cc3cccc([N+](=O)[O-])c3)cc2s1)Nc1ccccc1 252607832 HEYJXCVXRKZQCY-UHFFFAOYSA-N 448.529 5.686 30 10 IKEE CCCCCCCCC[C@H](NC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 406739869 ZMCYAMHARFILEP-IBGZPJMESA-N 441.454 7.197 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(C)c(Br)c1)NCCC 407919772 BFBSYTBMGIKQHG-MOPGFXCFSA-N 425.411 5.138 30 10 IKEE COc1ccc([C@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1Cl 526608192 GNWKYHHTGIBMLI-QHCPKHFHSA-N 430.891 5.586 30 10 IKEE CCc1nnc(SCc2ccccc2F)n1/N=C\c1cc(Cl)c(OC)c(Cl)c1 526803152 QHSRCZMGAFOTMV-RMORIDSASA-N 439.343 5.470 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1ccc(CC)cc1 526814960 MXGFHGSFYILFIA-CFRMEGHHSA-N 433.408 6.274 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@H]1CCCCN1C(=O)OC(C)(C)C 698428312 YUFXIMRRHODFBV-CJFMBICVSA-N 443.588 5.808 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1 698823992 DZQMHFZTPIFOTQ-MZNJEOGPSA-N 445.560 5.118 30 10 IKEE N#Cc1sc(-c2scc(Br)c2Br)c(-c2cccs2)c1N 705490233 FUIOGWHLSFZDDS-UHFFFAOYSA-N 446.214 6.184 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=Nc1nc(C)cs1 1772737940 ZCPZATPOACRPEI-ZZYMSUEGSA-N 429.954 5.989 30 10 IKEE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1C(=NNc1ccc(F)cc1)CCC2 1772749410 MZDSNHHGXAQSDO-UHFFFAOYSA-N 446.309 6.439 30 10 IKEE Cc1ccccc1/C=C1\SC(=NN=C/C=C\c2ccccc2)N(Cc2ccco2)C1=O 1772758759 CTUFJOPURQYXAN-UMGOOZHPSA-N 427.529 5.760 30 10 IKEE CO/N=C1\C[C@@H]2[C@H](CC[C@@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CCCC(C)C)[C@@]2(C)CC[C@H](O)C[C@H]12 1848439895 UGTRJIWOVLGRJU-IVHRQAPQSA-N 431.705 7.081 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2ccc(Cl)cc2Cl)n(-c2cccc(Cl)c2)n1 1862331820 NWMCWEPMZIRKLM-UHFFFAOYSA-N 446.765 6.314 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2cccc(F)c2)cc1 1862391203 VRPWIFAQYCLJNL-XMMPIXPASA-N 444.506 5.342 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(Cl)c(Cl)c1 1862417464 ZXSPSVKHXUXUHI-KRWDZBQOSA-N 426.246 5.260 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CC)cc1OC 1862453556 CKXVIDJVDJZULV-NRFANRHFSA-N 443.927 5.126 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2C2CCCC2)cc1 1862464688 CXNFBLOLESBLNC-FQEVSTJZSA-N 440.337 5.278 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2cccc(Cl)c2)cc1 1862477354 WFMGKFJGFUTAFB-HSZRJFAPSA-N 435.951 6.117 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2cccc3ccccc23)cc1 1862481152 XXRKJJPVXMUJBM-HHHXNRCGSA-N 447.534 5.969 30 10 IKEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862483839 DYNCZJVLHYLLPU-DVECYGJZSA-N 435.564 5.941 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)cc1 1862489545 XIACYXYNEPBLQO-JKFKMHIGSA-N 433.548 5.469 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@H]1c1cccc(O)c1 1862514314 HNAQWLBTNBUTOW-HSZRJFAPSA-N 437.536 5.340 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)c1 1862532952 HVCFZTHVHUGYMN-XYURVEJXSA-N 447.575 5.805 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc([N+](=O)[O-])cc1 1862584597 CFZXLAUBIRLJKE-BBATYDOGSA-N 449.290 5.278 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)OCO3)=C(O)C(=O)N1C1CCCCCC1 1862625574 KADUJIMTFUCVES-HSZRJFAPSA-N 433.504 5.025 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2cccc(F)c2)cc1F 1862638219 WNYGLCUUZWNAAH-QFIPXVFZSA-N 441.474 5.275 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862669160 PIXSNKKKXLVPPS-NRFANRHFSA-N 445.481 6.063 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cccs2)c1 1862676443 IYTGJNCDTQAKDG-OAQYLSRUSA-N 437.492 5.064 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1cccc2ccccc12 1862704722 HXRLKZLGSBGTAH-DEOSSOPVSA-N 429.516 5.617 30 10 IKEE N#Cc1cccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3ccccc3Cl)C2=O)c1 1862800557 JTJYIZKACLEPPB-UHFFFAOYSA-N 434.282 5.262 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C)cc2C)=C(c2ccc(Cl)cc2)C1=O 1863171491 FCGGYUYLWFHKAT-UHFFFAOYSA-N 438.999 6.509 30 10 IKEE CCCCCCCCCCNC1=C(c2ccc(OC)cc2OC)C(=O)N(CCCC)C1=O 1863750432 ACDOLICXKJNTSB-UHFFFAOYSA-N 444.616 5.314 30 10 IKEE C[C@@H](c1cccs1)N1CCN(c2cc(Nc3ccccc3C#N)nc(C(C)(C)C)n2)CC1 1868350581 KVVDLSINCZKKOU-SFHVURJKSA-N 446.624 5.334 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3cc4ccc(C)cc4nc32)nc(-c2ccc(C)cc2)n1 1869158100 KLKRSZKYWUFQQM-UHFFFAOYSA-N 447.586 6.181 30 10 IKEE CCCCCCCCn1cc(OCCOC(C)C)c(=O)cc1CSc1ncccn1 1870293053 FWPSABAGYFNUGK-UHFFFAOYSA-N 433.618 5.095 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCc2ccccc2)cn1Cc1ccc(Cl)cc1 1870693091 GWZSKIJPJYESEV-UHFFFAOYSA-N 448.994 5.346 30 10 IKEE CCCCCCCOc1cn(C[C@@H]2CCCO2)c(CNc2ccc(C)c(Cl)c2)cc1=O 1870833800 UEDXMNMYFRYBBS-QFIPXVFZSA-N 447.019 5.950 30 10 IKEE CCCCCCCOc1cn(CCCCCC)c(CNc2cccc(Cl)c2)cc1=O 1870839323 IAQWQPGAXSPMKD-UHFFFAOYSA-N 433.036 7.043 30 10 IKEE CCCCCCCCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(F)cc1)C3=O 1871349232 QSPYUFPPQACUCH-UQQQWYQISA-N 437.555 6.735 30 10 IKEE CCCCCCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc2c(c1)OCO2)C3=O 1871349398 RTVAJJAWFIKATG-OYKKKHCWSA-N 435.520 5.544 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1cn(C)c4ccccc14)O3)CN(C1CCCCCC1)CO2 1871352075 NZZPXSDETIJVPF-QFEZKATASA-N 442.559 5.978 30 10 IKEE CCCCCCCCN1COc2c(cc3c(c2C)O/C(=C\c2ccccc2Cl)C3=O)C1 1871355408 JRVXGGBKDBWOBN-HAHDFKILSA-N 439.983 6.777 30 10 IKEE COc1cccc(/C=C2\Oc3c(cc4c(c3C)OCN([C@@H]3CCCC[C@@H]3C)C4)C2=O)c1OC 1871355961 ORGKQXNMWKEVLL-BDIWLQQYSA-N 449.547 5.359 30 10 IKEE CCc1ccc([C@H](C)N2COc3c(cc4c(c3C)O/C(=C\c3ccc(C)o3)C4=O)C2)cc1 1871359951 LYGXBIZHSHDESA-DNNAEVNTSA-N 429.516 5.988 30 10 IKEE O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O 1871377585 SLDSHXNTJAISBI-AGWINUGJSA-N 447.830 5.483 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(OC)cc2)C3=O)cc1 1871387723 LTXBFSVWSPWBDN-JLPGSUDCSA-N 444.483 5.628 30 10 IKEE CCCCN(CC)Cc1c(O)cc(C)c2c1O/C(=C\c1ccc(Cl)cc1Cl)C2=O 1871395796 ONJSHNFUXPBWDU-JAIQZWGSSA-N 434.363 6.246 30 10 IKEE CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O 1871402296 HJYJVOHFKCDYPE-SGMWPGOQSA-N 447.462 5.247 30 10 IKEE CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 1871402694 MPCZOBKNMBXKMM-SGMWPGOQSA-N 447.462 5.247 30 10 IKEE CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 1871449429 WZAJSGZGDPRZDC-XLFQKYORSA-N 445.446 5.051 30 10 IKEE Cc1cccc(COc2cc(C)c3c(c2)O/C(=C\c2c(Cl)cccc2Cl)C3=O)c1 1871455414 RFZOTPNCHIXQGZ-UUYOSTAYSA-N 425.311 6.805 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[C@H](C)CC)S(=O)(=O)CCCC 1871825791 MADKVXMKNINDAW-VQIMIIECSA-N 448.551 5.067 30 10 IKEE C=CCN([C@H](CCC)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1872083300 BUMDNRGYZPYMJN-HSZRJFAPSA-N 442.625 5.158 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cccc(C)c1C)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872502952 NEHXYGMZCFHDCF-DEOSSOPVSA-N 442.625 5.150 30 10 IKEE C=C(C)CN([C@@H](CCC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(C)c(C)c1 1872512712 YQLRKSSWJSNLRC-DEOSSOPVSA-N 442.625 5.294 30 10 IKEE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)[C@H](C#N)c1nc(C(C)(C)C)cs1 1872769873 ZPBMYFZBJVHJAG-JQWIXIFHSA-N 441.778 5.500 30 10 IKEE C=CCOc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2c(C)c(C)cc(C)c2C)cs1 1872780218 CIABPBRDWTUCDI-HXUWFJFHSA-N 446.572 5.864 30 10 IKEE C=CCc1ccccc1OCc1cccc(C(=O)Nc2cccc(C(=O)OCCCC)c2)c1 1872834043 KNSMWNKURNSFTL-UHFFFAOYSA-N 443.543 6.203 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccco2)=C(c2cccc(Cl)c2Cl)C1=O 1873124435 BUTUGQOQIPWMBG-UHFFFAOYSA-N 449.378 5.817 30 10 IKEE C=CCNC(=O)c1c(NC(=O)c2cccc(Oc3ccccc3)c2)sc2c1CCCC2 1873441471 WIAWDZOAJWFHOJ-UHFFFAOYSA-N 432.545 5.587 30 10 IKEE Cc1nnc(SCc2ccc(Br)cc2)n1/N=C/c1cccc2[nH]ccc12 1873499763 NDVRMUFTNWFXEP-SSDVNMTOSA-N 426.343 5.005 30 10 IKEE CCCCCCCCCOc1ccc(/C=N/Nc2cnn(C)c(=O)c2Cl)cc1Cl 1873525885 CSNVOHWJWBRLSD-ZVHZXABRSA-N 439.387 5.663 30 10 IKEE C=CCn1c(C(=O)Nc2cc(C)ccc2C)cc2c(N(C)Cc3ccccc3)ncnc21 1873660520 LYXZOGJOMRSOEA-UHFFFAOYSA-N 425.536 5.123 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)c(Cl)c2)cc2c(N3CCCCC3)ncnc21 1873669181 UNZLEIGIZAGBSC-UHFFFAOYSA-N 430.339 5.167 30 10 IKEE CCCCCCCCNC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)C12CCCCC2 1873886447 VVAQWWUQCIHSMJ-XMMPIXPASA-N 426.645 6.062 30 10 IKEE CCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccc(N(C)C)cc1 1874213110 VVYNWWJIHJUQLI-LFVJCYFKSA-N 444.004 5.003 30 10 IKEE Cc1ccc(CSc2nnc(COc3cc(F)ccc3F)n2/N=C/c2ccco2)cc1 1874259503 DEYBKVATLQLZRG-BRJLIKDPSA-N 440.475 5.211 30 10 IKEE C=CCSc1nnc(CCOc2ccccc2)n1/N=C/c1ccc(Cl)cc1Cl 1874347129 XSRYZNWESBZFKP-OEAKJJBVSA-N 433.364 5.367 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccc(O)cc2)cc1C 1874357388 DUOFKCRKALTBRE-JFLMPSFJSA-N 446.551 5.505 30 10 IKEE C=CCSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1ccc(OCCCCC)cc1 1874359743 XAQQKOSFHIXQMG-ZXVVBBHZSA-N 448.636 6.215 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(C)cc3)n2/N=C/c2ccc(Cl)cc2)cc1 1874387322 HCJGSFBCYWHOHD-JVWAILMASA-N 447.007 6.314 30 10 IKEE Clc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCCc2ccccc2)cc1 1874408443 XFHXJBVONPCUIQ-NLRVBDNBSA-N 439.028 6.271 30 10 IKEE Fc1ccccc1CSc1nnc(Cc2ccccc2)n1/N=C/c1cccc(Cl)c1 1874417090 XNHWIXOTYNDRCY-CVKSISIWSA-N 436.943 5.836 30 10 IKEE CCOC(=O)c1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2cccc(C)c2)o1 1874428102 RTWGUQSILNRLTJ-MFKUBSTISA-N 446.532 5.198 30 10 IKEE CC(C)(C)c1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2[C@@H]2CCCO2)cc1 1874442916 NTWFNZBDDKTDFD-YYHBXHNPSA-N 438.572 5.741 30 10 IKEE Cc1ccc(C)c(CSc2nnc(C3CCCC3)n2/N=C/c2c[nH]c3ccccc23)c1 1874455664 DNBSVEGAJCUXRS-JFLMPSFJSA-N 429.593 6.208 30 10 IKEE CCCOc1ccccc1/C=N/n1c(SCc2ccccc2F)nnc1-c1ccco1 1874466438 JQZWOHIACXFLHB-MFKUBSTISA-N 436.512 5.641 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CCCC)nnc1SCc1cc(C)ccc1C 1874476162 HYBYTLDYLNMFJR-YZSQISJMSA-N 434.609 5.977 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(CC(C)C)nnc1SCc1cccc(Cl)c1 1874491156 BTRWOWLZJMFKNE-MFKUBSTISA-N 441.000 5.869 30 10 IKEE COCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccccc1OC(C)C 1874506355 YVINVTIVHJKIBU-FSJBWODESA-N 430.961 5.040 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)NC2CCCCC2)cc1 1874576079 VSVCRCXZPYJUQZ-UKTHLTGXSA-N 427.928 5.072 30 10 IKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2c(OCc3cccc(F)c3)ccc3ccccc23)c1C 1874586880 JGQFUBDKJYRULI-BUHFOSPRSA-N 438.542 7.688 30 10 IKEE COC(=O)c1ccc(COc2ccccc2/C=C/C(=O)c2cc(Cl)ccc2OC)o1 1874592430 YRXIXEFWHFHVTQ-JXMROGBWSA-N 426.852 5.203 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3C)c(Cl)c2)cc1 1874609255 HDPCTJKQLSYFBQ-NTUHNPAUSA-N 435.907 5.571 30 10 IKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)c1 1874618330 VGVOAPXAZGYZRO-VZUCSPMQSA-N 437.898 6.010 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 1874629476 FIFHTMCZELGSKN-UXBLZVDNSA-N 441.354 7.094 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OCCc1ccccc1 1874633292 VKDZYGDVYOBEGI-ACCUITESSA-N 434.963 6.873 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1OC(=O)c1cc(C)cc(C)c1 1874692569 NGWLLWYZVTVJTO-XYOKQWHBSA-N 436.507 6.581 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)cc1 1874694729 RFCRQBHCULCMFM-MDWZMJQESA-N 445.471 5.590 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(N(C)C)cc3)c2)cc1 1874701858 MCAVWGYTJVKCGS-CAOOACKPSA-N 429.516 5.657 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)c2)c(C)c1 1874702502 UNJHPYHBOBOYDD-VROYLXGSSA-N 442.555 6.696 30 10 IKEE COc1ccc(CC(=O)Oc2cc(/C=C/C(=O)c3ccc(F)c(C)c3)ccc2OC)cc1 1874704070 VUEUKMXJFKMRCE-WUXMJOGZSA-N 434.463 5.196 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)c(Br)c1O 1874717159 BLQPWSXABBVHHV-HWKANZROSA-N 432.097 5.375 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc([N+](=O)[O-])c1OC(=O)C1CCCC1 1875103277 QZQCLUAIGRKCKW-SDNWHVSQSA-N 437.492 5.548 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(Cl)cc3)cc2)cc1C 1875107473 RVKFSIBDTKDBLL-WLRTZDKTSA-N 436.891 5.538 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)c1ccc(N(C)C)cc1 1875119614 CZWVHYOPRJPDLR-MHWRWJLKSA-N 445.515 5.275 30 10 IKEE COc1ccccc1C(=O)Oc1c(OC)cc(/C=C/C(=O)c2cc(C)ccc2C)cc1OC 1875137728 ASGDQUWRAOSILX-OUKQBFOZSA-N 446.499 5.445 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)c1ccccc1F 1875138273 RSEAAUWIOVLJKO-VAWYXSNFSA-N 434.463 5.575 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)C(C)C)c(OC)c2)cc1 1875161610 YMPSIRMYYNRCNQ-MHWRWJLKSA-N 438.564 6.502 30 10 IKEE COc1cccc(OC)c1C(=O)Oc1ccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1 1875169829 UMXUBORNBDYYGO-SDNWHVSQSA-N 446.499 5.445 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2cncc(C)c2)c(Cl)c1 1875170802 QRUMNZPRWJCXDN-FNORWQNLSA-N 435.907 5.784 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(Cl)cc3)c(Cl)c2)cc1C 1875175622 YSKQWZSYRJMCJD-IZZDOVSWSA-N 439.338 6.654 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cc(Cl)c(OC(=O)C(C)C)c(OC)c1 1875179754 YYNJHMQQYGMRNY-VOTSOKGWSA-N 437.319 5.777 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)c(C)c3)cc2)cc1C 1875186568 BMUPSYSXRNAAME-XYOKQWHBSA-N 432.491 5.804 30 10 IKEE C=CCN1CC[C@H](NCC)[C@@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875650110 FQANPBULRGYVCO-WNJJXGMVSA-N 442.603 5.756 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCCC)c2ccc(Cl)cc2Br)C1 1898166751 VNPFNXPFOCZCDU-QGZVFWFLSA-N 443.813 5.757 30 10 IKEE CCCCCCCCCC[C@H](CCCN(Cc1ccccc1)C(=O)OC(C)(C)C)NCC 1915227791 DYRPXENWTYUINA-AREMUKBSSA-N 446.720 7.713 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)c1cc(NC(=O)OC(C)(C)C)ccc1F 1922080316 MZMTWYWYVKHWCI-QHCPKHFHSA-N 428.548 5.986 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(C)cc(Br)c1F 1926705952 BBIAURQPZOHNPE-SJLPKXTDSA-N 429.374 5.407 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 1945521309 FLOVHSXHZRFUMF-LZQZEXGQSA-N 433.524 5.105 30 10 IKEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 1945821611 KQWRMQXQVACFJO-UYAOXDASSA-N 437.625 5.635 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@]1(C#N)CN(Cc2ccccc2)C(C)(C)C1 1949241449 IJLJXJXOTLWZGI-AREMUKBSSA-N 425.617 5.893 30 10 IKEE N#Cc1ccc([C@H]2[C@@H](C(=O)O)CCN2C(=O)OCC2c3ccccc3-c3ccccc32)s1 1952856542 AZSHCNSWXRAVNS-NZQKXSOJSA-N 444.512 5.016 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]1(C)[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 1999897939 QXIJICRKMKQWCL-GOTSBHOMSA-N 433.524 5.249 30 10 IKEE C=CCCCCCCCC[C@H](O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2026311865 DLMWZZNKZVJPRK-NHTMILBNSA-N 433.633 6.153 30 10 IKEE CN(C(=O)OC(C)(C)C)C1CCC(C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)CC1 2048955370 FBQWMUVTRPDCCA-UHFFFAOYSA-N 447.551 5.639 30 10 IKEE CC1(C)OB(c2cnc(N(Cc3ccccc3)CC3CCCCC3)c(Cl)c2)OC1(C)C 2052559507 KYOKMJNOPKERKQ-UHFFFAOYSA-N 440.824 5.621 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1(C)C 2053042342 APWUDCNZUFMFCD-UPCLLVRISA-N 447.551 5.400 30 10 IKEE CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=CC(=O)c2ccccc2C(F)(F)F)cs1 2053622217 QFLFNHBQXBXWIO-UHFFFAOYSA-N 444.478 6.359 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@@H]3CC[C@@H]32)c1 2057583837 AMWMKURZOZLVGD-DFIYOIEZSA-N 441.572 5.418 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@]1(C)CCCN1C(=O)OC(C)(C)C 2076984840 SNQBQPDKIIKCRI-NTKDMRAZSA-N 445.560 5.118 30 10 IKEE Cc1ccc([C@H](n2nc(C(F)(F)F)c(/C=N/O)c2Br)C(C)(C)C)cc1F 2079007348 RITPDLZETJINHR-GRLVRZOXSA-N 436.247 5.556 30 10 IKEE Cc1ccc([C@H](C2CCC2)n2nc(C(F)F)c(C#N)c2I)c(C)c1 2079086996 DFSGZKZWHWVPHE-INIZCTEOSA-N 441.263 5.303 30 10 IKEE Cc1ccc([C@H](n2nc(C3CCC3)c(C#N)c2I)C(C)(C)C)cc1C 2079117021 XLBJLKRGYDFBNB-IBGZPJMESA-N 447.364 5.879 30 10 IKEE CC1(c2nn(Cc3cc(F)cc(C(F)(F)F)c3)c(Br)c2C(F)(F)F)CC1 2079827150 HOGLDCPLJDZNEF-UHFFFAOYSA-N 445.176 5.922 30 10 IKEE CC[C@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C2(C)CC2)c(C#N)c1Br 2080024142 HSPDKEUAORJVGN-CQSZACIVSA-N 430.243 5.726 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Cl)cc(Br)c1 2081554405 HAHFYOIFDGHUMX-DLBZAZTESA-N 429.786 5.060 30 10 IKEE CN(CCN(Cc1ccccc1)[C@H]1CC(C)(C)C[C@@](C#N)(NC2CC2)C1)Cc1ccccc1 2127174934 WXIOQTPDXNVUBZ-YTMVLYRLSA-N 444.667 5.214 30 10 IKEE CC(C)C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1Nc1cc(Br)ccc1C#N 2149854911 ZSAWKZAJTJHAPI-WMZOPIPTSA-N 436.394 5.404 30 10 IKEE Cc1ccc(C[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)cc1 2159877129 AGEHPGXCHRTEEX-QFIPXVFZSA-N 429.358 6.024 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCC)c2cc(Cl)c(Cl)cc2Cl)C1 2201279980 BYFGGLVJDNMVAC-KRWDZBQOSA-N 433.807 6.159 30 10 IKEE C=CCCCCCCC[C@@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)NC 2214620207 XNHKTKZUUYOOAI-DEOSSOPVSA-N 431.665 5.518 30 10 IKEE N#C[C@@H](CNc1ccc(Br)cc1I)C1CCCCC1 2231679066 WEWOIPOMHLLHPR-LBPRGKRZSA-N 433.131 5.186 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)CCC[C@@H](C)NC(=O)OC(C)(C)C 2235746765 LITLYZJRSJASFA-MJGOQNOKSA-N 437.422 5.252 30 10 IKEE C=C(C)C[C@H](OCCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2262461012 BIPISDKLVAMKRA-MHZLTWQESA-N 431.576 6.217 30 10 IKEE CC(C)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N(Cc2ccccc2)CC2CC2)c1 2267577117 QIQVHKHGJGLUAZ-UHFFFAOYSA-N 433.401 5.162 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](CC(=O)C#Cc1ccc(Br)cc1)C1CCCCC1 2296270378 ZBLIHZXKKHONHI-FQEVSTJZSA-N 434.374 5.233 30 10 IKEE COc1ccc(NC(=O)OC(C)(C)C)c(C(=O)C#Cc2ccc(Br)cc2)c1 2296289442 RRWIWISMBHTKMV-UHFFFAOYSA-N 430.298 5.039 30 10 IKEE CN[C@@H](C#Cc1ccc(Br)cc1)c1ccc(Cl)c(NC(=O)OC(C)(C)C)c1 2296306564 IULZSEXZWQFUKH-SFHVURJKSA-N 449.776 5.762 30 10 IKEE COc1c2c(cc3c1[C@@H](CC(=O)C=CC1=C(C)CCCC1(C)C)[N+](C)(C)CC3)OCO2 2297467871 OKLOMNFMQPFSRB-OAQYLSRUSA-N 426.577 5.140 30 10 IKEE O=C(Nc1cccc(N=Cc2cc(Br)cc([N+](=O)[O-])c2O)c1)c1ccccc1 2297708244 PVELPIYAELTEIF-UHFFFAOYSA-N 440.253 5.066 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NC)c1cc(Cl)cc(Br)c1F 2315459087 TZPNKHLTMBKBHC-GOEBONIOSA-N 435.765 5.362 30 10 IKEE C=CCC(CC=C)[C@H](NCCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2316707210 YYDRLXZTOVQJMU-DEOSSOPVSA-N 442.644 5.577 30 10 IKEE C=CCN(Cc1ccccc1)[C@]1(C(=O)O)CCC[C@H]1[C@@H]1CCCCN1C(=O)OC(C)(C)C 2321992869 VFEGOJJWTLYJIZ-AOJNWGRGSA-N 442.600 5.088 30 10 IKEE Cc1ccc(C)c(COc2ccc(Cl)cc2C=CC(=O)c2ccc3ccccc3c2)c1 2322326410 MARYMPQFNMXGDR-UHFFFAOYSA-N 426.943 7.585 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)NC2CCCCC2)cc1 2322402012 PTYVDWHMDCWBGS-UHFFFAOYSA-N 449.591 5.762 30 10 IKEE Cc1cc(OC(=O)c2ccc(C(C)(C)C)cc2)cc2c1C(=O)C(=Cc1ccc(F)cc1)O2 2322736672 CBFSTQGSZUSHIW-UHFFFAOYSA-N 430.475 6.267 30 10 IKEE O=C(COc1cccc(C=CC(=O)c2cccc(Br)c2)c1)NC1CCCCC1 2323097912 MFEAWKJCZVWAAH-UHFFFAOYSA-N 442.353 5.173 30 10 IKEE CCc1ccc(C=C2Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc(C)c3C2=O)cc1 2323149674 DPGPMNJKRNTXET-UHFFFAOYSA-N 429.428 5.301 30 10 IKEE Cc1cc(OC(=O)C=Cc2ccco2)cc2c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O2 2323168507 CYEICYCFYSUBHA-UHFFFAOYSA-N 441.266 6.130 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1OCc1cc(C)ccc1C 2323247711 DSPLSJCCZVLJCY-UHFFFAOYSA-N 430.544 6.413 30 10 IKEE Cc1cc(OC(=O)c2cccc([N+](=O)[O-])c2C)cc2c1C(=O)C(=Cc1ccccc1F)O2 2323260602 AMJNHSQMXVEVAG-UHFFFAOYSA-N 433.391 5.186 30 10 IKEE Cc1c(OC(=O)c2cccc([N+](=O)[O-])c2)ccc2c1OC(=Cc1ccc(Cl)cc1)C2=O 2323310565 KMTLSVSWRUHRDE-UHFFFAOYSA-N 435.819 5.392 30 10 IKEE O=C(C=Cc1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 2323371007 PQTRWAWQXFZPAY-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE O=C(C=Cc1ccc(OCCc2ccccc2)c(Cl)c1)c1ccc(Br)cc1 2323581441 FNJWZWPVIUUKNR-UHFFFAOYSA-N 441.752 6.620 30 10 IKEE CCCCCCCCCCN1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S 2323720966 YWXXSMYISPMIQD-UHFFFAOYSA-N 430.466 7.335 30 10 IKEE Cc1c(OC(=O)CCc2ccccc2)ccc2c1OC(=Cc1ccc(C(C)C)cc1)C2=O 2323721382 OPGHPMRALASUOY-UHFFFAOYSA-N 426.512 6.273 30 10 IKEE CCCOc1c(Cl)cc(C=NNc2nc(-c3ccccc3OC)cs2)cc1OCC 2323840501 KPQZOZGUULYVBC-UHFFFAOYSA-N 445.972 6.106 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(OC)c2)C3=O)cc1 2323864840 NVLAXRFAGSIUMP-UHFFFAOYSA-N 428.440 5.095 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OCc1c(Cl)cccc1Cl 2323921156 CIBOXKYSZFJNNV-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(Br)c1OCC 2324356211 PHKVICMBBOPRJQ-UHFFFAOYSA-N 431.370 6.376 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OCc1cccc(C)c1 2324545237 ADPGMLYMUPLCAY-UHFFFAOYSA-N 434.963 7.057 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(OCC)cc3)n2)cc1 2324547692 VJNCZXRCXYGXSD-JOCHJYFZSA-N 432.545 5.887 30 10 IKEE COc1ccc(OC)c(C=CC(=O)[C@H](C#N)c2nc(-c3cccc4ccccc34)cs2)c1 2324641517 MUWLHEKNALCMJL-QFIPXVFZSA-N 440.524 5.870 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3cccc4ccccc34)cc2)c2ccccc12 2324673186 JBAIRQKWYUMVQS-UHFFFAOYSA-N 444.530 7.477 30 10 IKEE Cc1cc(OCCOc2ccc(Cl)cc2)cc2c1C(=O)C(=Cc1ccc(N(C)C)cc1)O2 2324673225 NWGMIPZHQNZCOX-UHFFFAOYSA-N 449.934 5.788 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c(OC)c2OC)ccc1OCc1ccccc1C 2324725892 IRXJQGFSBHJXLR-UHFFFAOYSA-N 448.515 5.505 30 10 IKEE CC(C)CCOC(=O)CCOc1ccc2c(c1)OC(=Cc1c(F)cccc1Cl)C2=O 2325103540 PQOPROXTAXPJSP-UHFFFAOYSA-N 432.875 5.454 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(c4ccccc4)c4ccccc4)c3C)C2=O)cc1 2325216511 UCPCMPSXBWZLEL-UHFFFAOYSA-N 432.519 7.088 30 10 IKEE Cc1c(OCC(=O)Nc2ccc(Cl)cc2F)ccc2c1OC(=Cc1ccccc1)C2=O 2325490636 PFMHRQFKBVTLHD-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE CCCOc1ccc(C=Nn2c(C)nnc2SCc2cccc(Cl)c2)cc1OCC 2325633225 WBILALBNOKYWEA-UHFFFAOYSA-N 444.988 5.602 30 10 IKEE COc1cc(C=C2Oc3c(ccc(OCc4cccc(C)c4)c3C)C2=O)cc(OC)c1OC 2325720648 HBFBSHMXLRUYIE-UHFFFAOYSA-N 446.499 5.524 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2cccc(OC(=O)c3c(F)cccc3Cl)c2)c1C 2325756918 KHTLIMXTZMUWEJ-UHFFFAOYSA-N 436.910 6.828 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1cccc(OC(=O)c2cccc([N+](=O)[O-])c2)c1 2325757746 ICOULWPZHINCKD-UHFFFAOYSA-N 431.444 5.336 30 10 IKEE COc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(C)c(C)c3)c2)c(OC)c1 2325760372 MDPCSWNRAHXIHT-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC(=O)c3ccc(OC)c(OC)c3)c2)cc1C 2325770892 JWIBPJAVRQPOEE-UHFFFAOYSA-N 446.499 5.445 30 10 IKEE CSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1cn(C)c2ccccc12 2325907006 CYHVDAMWDSFVEN-UHFFFAOYSA-N 446.363 5.260 30 10 IKEE CCCSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1ccc(O)cc1 2325913862 PPUQXZKOJFLUMY-UHFFFAOYSA-N 437.352 5.254 30 10 IKEE CCCOc1c(Cl)cc(C=Nn2cnnc2SCc2ccc(F)cc2)cc1OCC 2326236477 HXSIKXCGAIKJTK-UHFFFAOYSA-N 448.951 5.433 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(OCC)c(OC)c1 2326358129 UVENMUJBGPUPEB-UHFFFAOYSA-N 444.988 5.466 30 10 IKEE CCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(N(CC)CC)cc1 2327744240 YPYZOKINRWHUPJ-UHFFFAOYSA-N 443.620 5.863 30 10 IKEE Fc1cccc(CSc2nnc(CCc3ccc(Cl)cc3)n2N=Cc2ccc[nH]2)c1 2328056322 MFTOTLVVBAZFDY-UHFFFAOYSA-N 439.947 5.358 30 10 IKEE CCCOc1ccc(C=Nn2c(SCCC)nnc2-c2cccs2)cc1OCC 2330594503 OFFJGOCBWAXFLX-UHFFFAOYSA-N 430.599 5.578 30 10 IKEE Oc1ccc(Cl)cc1C=Nn1c(SCc2ccccc2F)nnc1-c1ccccc1 2330674640 GMZLIEWFNHFJTC-UHFFFAOYSA-N 438.915 5.618 30 10 IKEE CCCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccc(CC)cc2)cc1OC 2330763029 FVMAOAYQNKISIK-UHFFFAOYSA-N 431.326 5.622 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2)ccc1OC(=O)c1ccc(F)cc1 2330874196 PUEGCYZURLIAQI-UHFFFAOYSA-N 434.463 5.657 30 10 IKEE CCCCCCCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccccc2)cc1OC 2331159696 DOSDLJCIDLOUEW-UHFFFAOYSA-N 428.956 6.901 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)[C@@H]1CCCO1 2331225696 PMZZIDUHKVLMCZ-NRFANRHFSA-N 428.912 5.336 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)c1cncc(C)c1 2331324496 IJNNTCQFBQDSKX-UHFFFAOYSA-N 449.934 6.174 30 10 IKEE COc1ccc(OC)c(CC(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(C)c3)cc2)c1 2331331870 CETDXQOPAUDTCZ-UHFFFAOYSA-N 434.463 5.196 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC(=O)Cc1cc(C)ccc1C 2331376670 FQLMMMSCYPWYFK-UHFFFAOYSA-N 444.527 5.673 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCOc3ccccc3)cc2)cc1F 2331451014 CHBSDIPFAZFSDB-UHFFFAOYSA-N 434.463 5.495 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)c1ccccc1C 2331532111 XKPKCIFEYZUPQQ-UHFFFAOYSA-N 438.882 6.302 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)Cc1ccc(C)c(C)c1 2331534501 RBRFTAIHBRXQCS-UHFFFAOYSA-N 432.491 5.885 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cc(Cl)c(OC(=O)C2CC2)c(OC)c1 2331545234 JUAAFPFOYXLWJZ-UHFFFAOYSA-N 442.939 5.866 30 10 IKEE COc1cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OC(=O)c1ccccn1 2331589672 KMSDBNQZGDKNNL-UHFFFAOYSA-N 445.515 5.646 30 10 IKEE COc1ccccc1C=Nn1c(SCc2c(Cl)cccc2Cl)nnc1C(C)C 2331705198 NUQHGMNVRKDCSU-UHFFFAOYSA-N 435.380 5.891 30 10 IKEE COc1cc(C=Nn2c(SCc3ccc(C)cc3)nnc2C2CC2)cc(Cl)c1O 2331716912 NACPVXCHJJNMTG-UHFFFAOYSA-N 428.945 5.006 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OC(=O)c2cccnc2)c(Cl)c1 2331743249 NFNLOXPXYWZJGY-UHFFFAOYSA-N 442.298 5.821 30 10 IKEE CC(=O)Oc1ccc(C(=O)Oc2ccc(C=CC(=O)c3c(C)cc(C)cc3C)cc2)cc1 2331764528 OLJVLUOAYUCEGX-UHFFFAOYSA-N 428.484 5.652 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)c(C)c3)cc2)cc1C 2331835273 BMUPSYSXRNAAME-UHFFFAOYSA-N 432.491 5.804 30 10 IKEE CC1(C)OB(c2cc(Cl)cnc2Oc2ccc(Br)c(Cl)c2)OC1(C)C 2339447243 YXCRSDUWBRRIDQ-UHFFFAOYSA-N 444.949 5.242 30 10 IKEE CCC[C@](C)(CNC(=O)OC(C)(C)C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339597568 RUNRBQNNIRCIPL-XMMPIXPASA-N 446.397 5.189 30 10 IKEE CC#CCN(C[C@H](NCCC)c1c(F)ccc(F)c1Br)C(=O)OC(C)(C)C 2363133934 WIUPWCXTLBIJKH-INIZCTEOSA-N 445.348 5.028 30 10 IKEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NC)c2c(C)c(C)c(Br)c(C)c2C)C1 2372284807 MNVWMRYKALNEMF-IBGZPJMESA-N 437.422 5.557 30 10 IKEE CCCCCCCc1ccc(C(=O)Nc2ccc(Sc3nc(C)cc(C)n3)cc2)cc1 1741021 FUJSETUVQUCZPS-UHFFFAOYSA-N 433.621 7.010 30 10 IKEE O=C(Nc1ccc(/N=C/c2ccccc2)cc1Cl)c1ccc(/N=C/c2ccccc2)cc1 1881560 YKQJZKLMIZYPDD-ZZASANORSA-N 437.930 7.094 30 10 IKEE COc1ccc2ccccc2c1/C=N/c1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 12493142 GONBGFIJNFLBJB-OVVQPSECSA-N 444.556 5.420 30 10 IKEE C[C@@H]1CCCC/C1=N/Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] 12499625 XILSPTHKPGEFQZ-PWNVGIJBSA-N 436.921 5.027 30 10 IKEE CCCCCCCCOc1ccccc1CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 14262007 XUCJTVYTRXSOJC-NDEPHWFRSA-N 443.631 7.069 30 10 IKEE Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)cc1[N+](=O)[O-] 20886039 DQNICUMVRAYJCK-WXTAPIANSA-N 443.478 6.022 30 10 IKEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2C(F)(F)F)cc1 21254937 QISGYRQRQFYJPK-APWZRJJASA-N 443.465 5.499 30 10 IKEE CCCCSc1nnc2c(n1)O[C@@H](c1ccc(C#N)cc1)N(C(=O)CC)c1ccccc1-2 32997077 NKUZGTZAGUXRPV-QHCPKHFHSA-N 445.548 5.137 30 10 IKEE Cc1cccc(/N=C2/NC(=O)S/C2=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1 33567915 MXNCOEHSQGYQGN-UNOMPAQXSA-N 428.435 6.801 30 10 IKEE Cc1ccc(Sc2ccc(/C=C\C(=O)c3cc(Cl)ccc3Cl)cc2[N+](=O)[O-])cc1 34703234 OETBLCBTGSWXLS-WMZJFQQLSA-N 444.339 7.257 30 10 IKEE COc1ccccc1/C=C\C(=O)c1ccc(OC(=O)N(c2ccccc2)c2ccccc2)cc1 34955740 DFLYMUURAKRALA-UZYVYHOESA-N 449.506 6.928 30 10 IKEE C=C(C)C(=O)NCCCc1nc2ccccc2n1CCCOc1ccc(/C=C/C)cc1OC 35144980 AUXWBTBKKVMHBR-BJMVGYQFSA-N 447.579 5.172 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2Cc2ccccc2)c1 35444644 FUGNRLJSNVXWFJ-JHYYFUGWSA-N 439.511 5.263 30 10 IKEE CC(C)[C@H](C)N(Cc1ccccc1C#N)Cc1cccn1Cc1cccc(C(F)(F)F)c1 35841218 PLDAIQVGENZVHD-FQEVSTJZSA-N 439.525 6.474 30 10 IKEE C=CCCC(O)(CCC=C)c1ccc(CN(Cc2ccco2)Cc2ccc(C)s2)o1 36203521 YGHHAKBWDATVNZ-UHFFFAOYSA-N 425.594 6.565 30 10 IKEE C=C[C@@](C)(O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)CC(C)C 36342158 JNFYSPMKDPEOPA-HHHXNRCGSA-N 449.595 5.377 30 10 IKEE O=C(NCc1cc(-c2ccccc2F)on1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 38748212 NACMERHHDYXQFB-UHFFFAOYSA-N 432.295 5.448 30 10 IKEE C=CCOc1ccc(C(=O)Nc2c(C(=O)c3ccc(C)c(F)c3)oc3ccccc23)cc1 39868338 GNMWACNSEFUUPG-UHFFFAOYSA-N 429.447 5.928 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1ccc(C(C)(C)C)cc1 40099076 ZNGQDONZDLDLJG-LJQANCHMSA-N 426.582 5.436 30 10 IKEE O=S(=O)(c1ccc(/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1)N1CCCC1 40570732 VBEFATBSITVSQB-OVVQPSECSA-N 443.572 5.225 30 10 IKEE CCc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCCc2ccccc2)C4)cc1 41648048 RKMKFTGNOKRIEW-ONUIUJJFSA-N 439.555 5.958 30 10 IKEE Cc1cccc(OCc2nc(C)c(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)s2)c1 43220789 BKVCVSUDKCXNAQ-CQSZACIVSA-N 437.590 5.649 30 10 IKEE COc1ccc(-c2nc(SC)nc(Nc3cc(Cl)ccc3Cl)c2C#N)cc1OC 62039779 DBNIRBPIABPDHR-UHFFFAOYSA-N 447.347 5.805 30 10 IKEE CCN(C(=O)/C=C/c1ccc(OCC#N)c(OC)c1)[C@@H](C)c1cccc(C(F)(F)F)c1 97174728 UUZNZZUHYZFWCO-SOGBHIHOSA-N 432.442 5.239 30 10 IKEE CCCCCCCOc1cccc(NCC(=O)Nc2ccc(OCc3ccccc3)cc2)c1 100089930 HGRSHACEYSLNOU-UHFFFAOYSA-N 446.591 6.665 30 10 IKEE CCCCCCCOc1cccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)c1 100140248 YMBWIVYLWSWXEU-HHHXNRCGSA-N 428.576 6.803 30 10 IKEE CCCCCCCCCn1c(CCCNC(=O)CCc2ccccc2)nc2ccccc21 102158301 UVHXYDPNUDVHKI-UHFFFAOYSA-N 433.640 6.469 30 10 IKEE CCc1ccc(N/C=C2/C(=O)c3ccccc3N(Cc3cccc(C)c3)S2(=O)=O)cc1 104402590 ZMKUEBFCHWOLAN-JLPGSUDCSA-N 432.545 5.044 30 10 IKEE Cc1nc(C)c(C#N)c(SCC(=O)N(c2ccc(Nc3ccccc3)cc2)C(C)C)n1 105598165 AKLCZJZPPQDLHD-UHFFFAOYSA-N 431.565 5.242 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OCC(=O)Nc1ccccc1C 163115906 HOTAHLKBKLCYOI-RIYZIHGNSA-N 433.479 5.446 30 10 IKEE CCOc1cc(/C=N\Nc2nc3cc(C)ccc3[nH]2)ccc1OCc1cccc(Cl)c1 169893315 BOTYETJKTUABGL-WGARJPEWSA-N 434.927 5.948 30 10 IKEE CCCN1C(=S)N[C@@H](c2cccc(OCc3cccc(Cl)c3)c2)C2=C1CCCC2=O 169930133 PQAUOHCMVYGDJB-QHCPKHFHSA-N 440.996 5.567 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(N(C)C)cc2)c1 169953312 VEONMOZQCMAYQT-DEOSSOPVSA-N 426.516 5.152 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccncc1 170018913 AHEHSEQPLMVJMW-FQEVSTJZSA-N 439.298 5.480 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2ccccc2F)cc1 170069539 DQDNGERCMCRSNC-HSZRJFAPSA-N 431.463 5.234 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@H]2c2ccco2)c1 170090843 ZKXGEULVOQVXQU-QFIPXVFZSA-N 431.488 5.369 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccc1OC 170125666 LNRKZGSXFLKWSG-DEOSSOPVSA-N 429.516 5.617 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccncc1)c1ccc(Cl)cc1 170203759 RBOQTBWVONUKLZ-LJQANCHMSA-N 425.271 5.171 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)c(Cl)c2)[C@@H]1c1ccncc1 170211051 LVPRZLJGSNCZQJ-SFHVURJKSA-N 449.334 5.166 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCC)cc1 170216031 YDPXOEUQSWUOPD-QHCPKHFHSA-N 433.504 5.600 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1ccccc1 170227372 HYOMEFUTOHAXAL-XMMPIXPASA-N 443.499 5.265 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccccc2)c(C)c1 170228030 GVOIAIRMNQTRRK-VWLOTQADSA-N 441.527 5.874 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@@H]1c1ccccc1 170232918 VQFAENKJMWFKNN-NRFANRHFSA-N 427.928 5.507 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1)c1ccc2c(c1)CCCC2 170238542 SQZYEUKCOQLJTN-DEOSSOPVSA-N 445.465 5.627 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1F)c1ccc2ccccc2c1 170251697 FUDOAQTWGUKBRT-XMMPIXPASA-N 429.491 5.890 30 10 IKEE COCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1ccccc1C 170275878 RFSUXSRYUYBVFB-OAQYLSRUSA-N 439.895 5.009 30 10 IKEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccco2)cc1 170279347 WMXGPFMPQUQSKP-DEOSSOPVSA-N 442.515 5.007 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(C)o2)cc1C(C)C 170299664 HZJMVBAPYFXERJ-HSZRJFAPSA-N 449.478 5.642 30 10 IKEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccc(C)o2)c1 170299943 NPOAFFGAVFCPGY-QHCPKHFHSA-N 447.487 5.005 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@@H]1c1sccc1C 170318620 GFUPGWDPSVBGCI-HXUWFJFHSA-N 427.566 5.470 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)c1 170330296 XEZDOBHDGWPWGR-OAQYLSRUSA-N 437.854 5.271 30 10 IKEE CC(C)OC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccccc2)cc1 170372333 KJCVYPZWZPGQER-NRFANRHFSA-N 447.512 5.096 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccccc1 170422778 XPGROPSDHVWXAY-HXUWFJFHSA-N 439.298 5.167 30 10 IKEE CC(C)C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1cccc(Oc2ccccc2)c1 170455800 DNMDCMOXEOJGEU-HSZRJFAPSA-N 431.463 5.743 30 10 IKEE COC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)c1 170468439 KEWCUTXPTDKQTH-HSZRJFAPSA-N 449.547 5.286 30 10 IKEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(N(C)C)cc2)[C@@H]1c1ccc(OC(C)C)cc1 170472816 IDGJACNDSQDYAF-XMMPIXPASA-N 436.552 5.055 30 10 IKEE COc1ccc2c(B3OC(C)(C)C(C)(C)O3)cn([Si](C(C)C)(C(C)C)C(C)C)c2c1 206174965 XEOBODNHOLBIAF-UHFFFAOYSA-N 429.486 5.973 30 10 IKEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(C(C)C)cc1)N2 226713056 CQBVXCZRZFFYER-ONBPZOJHSA-N 448.632 5.999 30 10 IKEE CC[C@@H](C)Oc1c(/C=C2/SC(=Nc3ccccc3)N(CCOC)C2=O)cccc1OC 252619144 LNIFIALKAWDNAG-QASFRJFQSA-N 440.565 5.123 30 10 IKEE O=C1/C(=C\c2ccc(Br)o2)SC(=Nc2ccccc2)N1c1ccccc1 252627217 RPATUCQHNBLEPW-GGYXWTDNSA-N 425.307 5.851 30 10 IKEE aggregator Cc1ccc(N=C2S/C(=C3\Sc4ccccc4N3C)C(=O)N2C2CCCCC2)c(C)c1 254818435 IOOUDWXTOUJXHG-VUQCETKJSA-N 449.645 6.610 30 10 IKEE Cc1ccc(N=C2S/C(=C/c3ccc(N(C)C)cc3)C(=O)N2c2ccc(C)cc2)cc1 254865674 JREWQHTZTNRSCL-DNKROPNVSA-N 427.573 6.178 30 10 IKEE O=C1N/C(=N/N=Cc2ccc(Cl)cc2Cl)S/C1=C/c1ccc(Cl)cc1Cl 254896659 FXLZAUNOGBCPEM-WEPPWJSHSA-N 445.158 5.894 30 10 IKEE N#Cc1cc(Cl)ccc1Nc1cc(Br)ccc1I 310669838 GTLQEDDNPSCXQW-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@H]2c2cccc(Cl)c2Cl)cc1 526490817 ZKKSCBHVQGXANM-OAQYLSRUSA-N 439.273 6.061 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Cl)cc2C)c1 526773670 UKRWKXBIDJXPAG-QHCPKHFHSA-N 447.918 5.830 30 10 IKEE Cc1nnc(SCc2ccccc2)n1/N=C\c1ccc(OCCCc2ccccc2)cc1 526799420 IUHCNLMEVMPEPR-DIBXZPPDSA-N 442.588 5.773 30 10 IKEE COc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccccc2)cc1OC 526801579 WFUNWHOKBOMGNG-ONUIUJJFSA-N 444.560 5.061 30 10 IKEE CCCCc1nnc(SCc2ccc(Br)cc2)n1/N=C\c1ccccc1O 526820846 LQOZXSWSPVVVCV-XKZIYDEJSA-N 445.386 5.263 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(NC(=O)Nc3ccccc3CC)CC2)c1 586087195 KMMZXONJUKULJK-UHFFFAOYSA-N 448.611 5.513 30 10 IKEE COc1ccc(C)cc1S(=O)(=O)N(Cc1cccc(C#N)c1)c1ccc(Cl)cc1C 586245072 MXRTYOHNJGFSLO-UHFFFAOYSA-N 440.952 5.233 30 10 IKEE CCCCCCC[C@H](NCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 693653628 IDWKQIWOVUCHGG-OZXSUGGESA-N 431.665 5.494 30 10 IKEE C[C@H]1N(C(=O)OC(C)(C)C)CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 698884586 LHDCMZSWALUMIS-WAIKUNEKSA-N 433.524 5.249 30 10 IKEE COc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)cc1Br 698890954 JVEJKKNZKGGDJH-QGZVFWFLSA-N 435.293 5.603 30 10 IKEE C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C=Nc2ccc3c(c2)oc2ccccc23)[C@H](C)C1 1083999041 MYJMTEJTKDRHMF-ZWKOTPCHSA-N 427.504 6.870 30 10 IKEE Clc1cc(N=C/C=C/Nc2ccc(Br)c(Cl)c2)ccc1Br 1088648210 QSEYLKFXTAOGEL-PGHIYXDYSA-N 448.973 6.847 30 10 IKEE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)C2=NNc1ccccc1 1772722498 YJRJOUIJUZMMMH-PKTZIBPZSA-N 444.362 5.795 30 10 IKEE Cc1cccc(NC(=O)[C@@]23CC[C@@](C)(C(=NOC(=O)c4ccc([N+](=O)[O-])cc4)C2)C3(C)C)c1 1772722587 JXCHIQHHPDVDMC-LOSJGSFVSA-N 449.507 5.271 30 10 IKEE CCN1C(=O)/C(=C\c2ccc(OCc3ccc(C)cc3)cc2)SC1=Nc1cccc(C)n1 1772732208 VRCUWYHCHSDIFK-HNXGTMCTSA-N 443.572 5.901 30 10 IKEE C=CCN=c1cc(-c2cc3cnccc3c(NC(c3ccccc3)c3ccccc3)n2)cc[nH]1 1857822190 YQNPEONEWRSUAI-UHFFFAOYSA-N 443.554 5.913 30 10 IKEE CSc1ccc(C(=O)Nc2c(C#N)cnn2-c2cc(C)c3cc(C)cc(C)c3n2)cc1 1859656785 BPWCJLKPMHKCSE-UHFFFAOYSA-N 427.533 5.192 30 10 IKEE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(OCc2ccc(C#N)cc2)c1 1860118614 LIVAASMUTZPVGI-HNNXBMFYSA-N 441.314 5.850 30 10 IKEE N#Cc1cccc(C(=O)Oc2ccc(C3CCN(C(=O)c4ccc(Cl)cc4)CC3)cc2)c1 1860694145 CEGLZIMKNIIYQL-UHFFFAOYSA-N 444.918 5.451 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 1861120656 QVQMBYSFUAXZJM-WNLUNTPQSA-N 445.604 5.540 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(C(=O)O)cc2)cc1 1862394165 CMYWBPZXLOTBFB-HSZRJFAPSA-N 447.531 5.248 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccccc1 1862412955 RHWCJFMXKHQIAR-GCJKJVERSA-N 427.491 5.902 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1Cl 1862431389 GIMIJCPOFZIBLW-OAQYLSRUSA-N 444.358 6.295 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2c(F)cccc2Cl)cc1 1862481171 YJIAKFHTQOEQRP-QHCPKHFHSA-N 449.909 5.609 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(OCCC)c(OCC)c1 1862499262 CEDZYOKYUGSHKK-DEOSSOPVSA-N 449.547 5.255 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2cc(Cl)cc(Cl)c2)cc1 1862521896 TZDDLDDLMRABCC-FQEVSTJZSA-N 448.346 5.769 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C34CC5CC(CC(C5)C3)C4)[C@@H]2c2ccccc2)cc1 1862534848 YAKOJPCQAHTQLN-MMBGETBOSA-N 441.571 5.796 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2[C@H](C)CC)c1 1862546908 ITSCFEYABSNGQM-OSPHWJPCSA-N 433.548 5.341 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(C(C)(C)C)cc1 1862561978 VVFKCTBKYFRFQT-HSZRJFAPSA-N 434.580 5.725 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccccc2)cc1 1862617029 XHGFVTBEFXPERG-QHCPKHFHSA-N 426.516 5.158 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862677395 AZGUPVRJGAFIEL-VWLOTQADSA-N 447.550 6.418 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(F)cc2F)c1 1862677978 IPVWJWKPCIBPAW-JOCHJYFZSA-N 437.417 5.191 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2ccccc2C)cc1 1862688305 VYQUJCQNXDFVPC-QHCPKHFHSA-N 447.918 5.436 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccccc1C 1862721917 LWFRLLGVMJNIRC-SANMLTNESA-N 439.555 6.431 30 10 IKEE N#Cc1cccc(NC2=C(c3cccs3)C(=O)N(c3cccc(Cl)c3Cl)C2=O)c1 1863116044 WYHQGRVGQCSNOL-UHFFFAOYSA-N 440.311 5.323 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C)cc2)=C(c2ccc(OCCC)cc2)C1=O 1863342751 STEWASFIPRBGPY-UHFFFAOYSA-N 448.607 6.336 30 10 IKEE Cc1nc(Nc2ccccc2C#N)cc(N2CCC[C@@H](C(=O)CCCc3ccccc3)C2)n1 1868490598 MINRJZXAIBGEDB-HSZRJFAPSA-N 439.563 5.209 30 10 IKEE C=CCN(CC=C)c1cc(N2C[C@H](C)Cc3cc(OC)ccc32)nc(-c2ccc(F)cc2)n1 1869274108 RIYRTIIPKRQAOB-LJQANCHMSA-N 444.554 5.800 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OC(C)C)c(=O)cc1CN1C[C@H](C)C[C@@H](C)C1 1870477853 CYGKVFSULLEFCQ-FGZHOGPDSA-N 448.648 5.017 30 10 IKEE C=CCn1cc(OCC2CCCCC2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870913631 WVZIINHLPSEJRM-UHFFFAOYSA-N 443.591 6.349 30 10 IKEE CCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CNc1ccc(OC)cc1C 1871058549 GMAVXOSHSVLVFF-UHFFFAOYSA-N 440.628 6.483 30 10 IKEE C[C@@H]1CCCC[C@H]1N1COc2ccc3c(c2C1)O/C(=C\c1ccc(C(C)(C)C)cc1)C3=O 1871350564 LDNILUZAYKPXGV-QVYNFRDDSA-N 431.576 6.331 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(Br)cc1)O3)CN(CCC(C)C)CO2 1871353027 MAPSTGMUAQFBME-JAIQZWGSSA-N 442.353 5.572 30 10 IKEE Cc1cc(OC(=O)COc2ccccc2)cc2c1C(=O)/C(=C/c1c(F)cccc1Cl)O2 1871364055 DMBAFGSTRSIYBQ-MTJSOVHGSA-N 438.838 5.388 30 10 IKEE Cc1c(OC(=O)C(c2ccccc2)c2ccccc2)ccc2c1O/C(=C\c1ccco1)C2=O 1871371763 HMXGOFQIXUEWOK-ULJHMMPZSA-N 436.463 5.942 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc(C)c3C2=O)cc1 1871373511 KILNLZHKHSPHMA-UUYOSTAYSA-N 445.427 5.056 30 10 IKEE O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O 1871375183 XOBUYUILPADJRI-AGWINUGJSA-N 437.278 6.228 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4c(Cl)ccc(Cl)c4Cl)ccc3C2=O)o1 1871383224 PXGYBIVADUQBCL-MFOYZWKCSA-N 449.673 6.384 30 10 IKEE C=CCN(CC=C)Cc1c(O)cc(C)c2c1O/C(=C\c1ccc(Br)cc1)C2=O 1871393455 NTMICDBHOQQGBO-MOSHPQCFSA-N 440.337 5.253 30 10 IKEE Cc1cc(O)c(CN2CCCc3ccccc32)c2c1C(=O)/C(=C/c1ccccc1Cl)O2 1871395040 DBZNKVMZUAWYAN-UCQKPKSFSA-N 431.919 5.923 30 10 IKEE Cc1cc(OCCOc2ccc(C(C)(C)C)cc2)cc2c1C(=O)/C(=C/c1ccc(F)cc1)O2 1871414496 KLIJUZVILGIDIR-XYGWBWBKSA-N 446.518 6.506 30 10 IKEE CCCCCCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871421980 POCIMJMGWGALSS-IWIPYMOSSA-N 436.548 6.237 30 10 IKEE Cc1ccsc1/C=C1\Oc2cc(OCC(=O)Nc3ccc(Cl)cc3)ccc2C1=O 1871440947 PFSONPQWEURKOO-ODLFYWEKSA-N 425.893 5.344 30 10 IKEE COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OCc3cccc(C)c3)cc(C)c2C1=O 1871455328 MSECDEJYKSBXOG-ROTLSHHCSA-N 446.499 5.524 30 10 IKEE CCc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4cccc(C)c4)c3C)C2=O)cc1 1871456818 YJKJWXSBAVPFOF-IWIPYMOSSA-N 427.500 5.500 30 10 IKEE COc1ccccc1/C=C1\Oc2c(ccc(OCC(=O)Nc3cccc(C)c3C)c2C)C1=O 1871458942 HTHRCJNARVZQQQ-OYKKKHCWSA-N 443.499 5.254 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1cccs1 1871841714 OPBXQPPVCDMQMX-NRFANRHFSA-N 448.654 5.636 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccccc3C(C)C)n2)c1C 1872778187 FYWJROXXILMKKF-RBBKRZOGSA-N 446.616 6.811 30 10 IKEE COc1c(Cl)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)c2ccc(Cl)nc2)n1 1872778285 IACPVVNRQYLMAW-GFCCVEGCSA-N 438.723 5.664 30 10 IKEE COc1cc(-c2csc([C@H](C#N)C(=O)Cc3cc(C)ccc3C)n2)c(OC)cc1Cl 1872781662 XHFFOEIOOHGMMX-QGZVFWFLSA-N 440.952 5.517 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)c2ccc(C(C)(C)C)cc2)n1 1872785644 RWTYKKOOWZSRAE-JOCHJYFZSA-N 430.617 7.204 30 10 IKEE CCCCCCN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2cccc(Cl)c2Cl)C1=O 1873340927 OLNFQSGUDJRTMF-UHFFFAOYSA-N 442.346 5.637 30 10 IKEE CCCCCCCCCCNc1ncnc2c1ccc(=O)n2-c1ccc(OC)c(Cl)c1 1873541549 NUTHTZQUYQJHMJ-UHFFFAOYSA-N 442.991 5.995 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)c(Cl)c2)cc2c(NCc3ccccc3)ncnc21 1873608750 MMNFPEPOMHOCMO-UHFFFAOYSA-N 431.927 5.444 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(Cl)c2)cc2c(NCc3ccccc3C)ncnc21 1873619087 XRLRMFVEIFYFLS-UHFFFAOYSA-N 431.927 5.444 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(C)c(F)c1)n2CC 1873620059 SRKAVURGXMAXIH-UHFFFAOYSA-N 425.552 5.923 30 10 IKEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(N(CC)CC)cc1)n2CCC 1873657147 ZTVNJOHIDCBRES-UHFFFAOYSA-N 446.599 5.118 30 10 IKEE C=CCn1c(C(=O)Nc2ccccc2C(C)C)cc2c(N(C)Cc3ccccc3)ncnc21 1873660570 OLGUYTSYTDYWCL-UHFFFAOYSA-N 439.563 5.629 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(COc2c(C)ccc(C)c2C)nnc1SCC 1874254784 BKWPAAHCTVLZNV-MFKUBSTISA-N 436.581 5.341 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3Cl)n2/N=C/c2ccccc2)c1 1874274813 NYNQJYWCQLRNFU-WPWMEQJKSA-N 447.007 6.200 30 10 IKEE C=C(C)CSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874288127 OTTUFSDTWLPWSL-BUVRLJJBSA-N 441.601 6.201 30 10 IKEE C=CCSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1cccc(OCCC)c1 1874329381 MNQWIWIPNQSEAZ-PCLIKHOPSA-N 436.581 5.423 30 10 IKEE Fc1ccccc1/C=N/n1c(CCOc2ccccc2)nnc1SCCc1ccccc1 1874347008 RLGUZOCNZLYBGQ-ZXVVBBHZSA-N 446.551 5.256 30 10 IKEE C(=N/n1c(SCc2cccc3ccccc23)nnc1-c1cccs1)\c1ccccc1 1874424099 UTKCYMDRHRYLHV-PCLIKHOPSA-N 426.570 6.334 30 10 IKEE Clc1cccc(CSc2nnc(-c3ccccc3)n2/N=C/c2c[nH]c3ccccc23)c1 1874430540 NAGYWOHYVFJPRF-JFLMPSFJSA-N 443.963 6.254 30 10 IKEE Clc1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2cccs2)c(Cl)c1 1874457123 BMCCYFNGCJEUTR-SSDVNMTOSA-N 437.421 6.479 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3cccc(C)c3)nnc2-c2ccco2)c1 1874465265 AFMBBLSRGYOODC-PCLIKHOPSA-N 432.549 5.810 30 10 IKEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(C(C)C)cc1 1874481337 XSFILRMRCOAXOO-VULFUBBASA-N 445.007 6.711 30 10 IKEE Cc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(Cl)cc1Cl 1874534813 CFKBQDARKGJMTI-GZIVZEMBSA-N 429.735 5.860 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccccc2Cl)c1OCC(=O)Nc1cccc(C)c1C 1874575124 XACZWTQJAHDXSF-CCEZHUSRSA-N 449.934 5.879 30 10 IKEE COc1ccccc1C(=O)/C=C/c1c(OCC(=O)NCc2ccco2)ccc2ccccc12 1874577087 VSYTZBZDJLDKFP-BUHFOSPRSA-N 441.483 5.033 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2)c(C)c1 1874589740 ARBOEZRXBVMNOK-PKNBQFBNSA-N 433.935 6.179 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1OCc1ccccc1Cl 1874592815 DBCZVCDCPZJUMC-GXDHUFHOSA-N 432.947 6.703 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OCc1c(F)cccc1Cl 1874597967 MTCQZVNYCSCRNT-WEVVVXLNSA-N 432.825 6.241 30 10 IKEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2ccc(CC)cc2)cc1Br 1874604577 VHXZMWJDRQSQEJ-YRNVUSSQSA-N 431.326 5.240 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1OCCc1ccccc1 1874606536 TWXGUEJMYWRCQD-YRNVUSSQSA-N 427.327 6.520 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1cc(C)cc(C)c1 1874616770 RLJJYTNFFJGLKD-YRNVUSSQSA-N 429.516 5.534 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)ccc1F 1874618850 WBRSVNJBDRYLMR-UXBLZVDNSA-N 441.861 5.840 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Cl)c1OCc1ccc(C)cc1 1874627469 LXRNIEMTDWKTEP-DHZHZOJOSA-N 442.889 6.800 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OCc1ccccc1 1874629006 IDXBXZAGKLMTLZ-OUKQBFOZSA-N 430.544 6.413 30 10 IKEE CCCCCCCCC(=O)N1[C@H](c2ccc(C)cc2C)CSc2nnc(CCC)n21 1874867671 XPPIJJSAYYIXDH-NRFANRHFSA-N 428.646 5.910 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)cc2)cc1 1875103619 HVTLSSJYVUCKBM-IDQDRXHYSA-N 442.555 6.641 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3Cl)cc2)cc1 1875104315 QRWDVRQYJDPDDJ-AWNIVKPZSA-N 441.310 6.046 30 10 IKEE COc1cccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3OC)cc2OC)c1 1875120484 VYNDMABRTVEUGO-SDNWHVSQSA-N 446.499 5.147 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)cc2)c(C)c1 1875131239 NLXBZAJGAJELGM-CQTHNFAISA-N 442.555 6.696 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OC(=O)Cc1ccc(F)cc1 1875154511 IHRSEHPTROFIQM-RVDMUPIBSA-N 440.470 6.032 30 10 IKEE CC(C)C(=O)Oc1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1[N+](=O)[O-] 1875165651 RQFYCNZYWFAXFC-RIYZIHGNSA-N 431.444 5.845 30 10 IKEE C=C(C)CC[C@@H](NCC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875652910 XGGDGFQVUFZJFD-UHSQPCAPSA-N 445.603 6.212 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(C1)CC(C#N)(N(C(=O)OC(C)(C)C)c1cccc(F)c1)C2 1917715442 KKYAWBVARQWCPI-UHFFFAOYSA-N 445.535 5.251 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1922092775 WGFFHKYTVHPVGM-NDBXHCKUSA-N 442.644 5.553 30 10 IKEE C=C(COCc1ccccc1)[C@H](CC(F)(F)CCNC(=O)OC(C)(C)C)NCCC 1984172822 GJNGJLAGXYDNGP-FQEVSTJZSA-N 426.548 5.068 30 10 IKEE CC(C)(C)OC(=O)N1CC(C)(C)[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C1 1996505424 LKGYSBBKKDKPKX-QHCPKHFHSA-N 433.524 5.106 30 10 IKEE C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2037942035 KWVYDHIMEQTXAB-PMACEKPBSA-N 437.559 5.618 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@@H]2C(C)C)c1 2067955119 KZWOAEMGTZSNGI-NLFFAJNJSA-N 443.588 5.664 30 10 IKEE C=C(C)C[C@H](NCC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071352239 ZEXXFBPMOLTREB-LBNVMWSVSA-N 431.576 5.822 30 10 IKEE CC#CCCCC[C@@H](NCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2075361505 ZFNJNJNDIBEJNN-SHQCIBLASA-N 442.644 5.392 30 10 IKEE CC#CCCCC[C@@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2075369790 HZBUVYSJPKZIIG-SHQCIBLASA-N 441.660 5.108 30 10 IKEE CC(C)c1nn([C@@H](c2ccc(C(F)(F)F)c(F)c2)C(C)C)c(Br)c1C#N 2079969650 HAPFPLPKYWTSRY-MRXNPFEDSA-N 432.259 6.044 30 10 IKEE CCCOc1ccc([C@@H](C(C)C)n2nc(C(C)(C)C)c(C=NO)c2Br)cc1 2080077264 BSLIZXQPPILGKN-GOSISDBHSA-N 436.394 5.785 30 10 IKEE C=CCCCCCCCCC[C@@H](NC)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2086263476 HXMAMIZWQPMMFR-JWQCQUIFSA-N 446.676 6.381 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCC(C)(C)C[C@H]2OCc2ccccc2)c1 2105748906 HULWDKBWHBOCGH-YWEHKCAJSA-N 448.607 6.794 30 10 IKEE CN(C(=O)OC(C)(C)C)C1CCC(Nc2ccc(C#N)c(Br)c2F)CC1 2106043573 NHUALMGWJSOPQG-UHFFFAOYSA-N 426.330 5.050 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(C)ccc(Br)c1F 2145545360 YGVXJFMINKMJBR-LPHOPBHVSA-N 441.385 5.244 30 10 IKEE N#Cc1cc(F)c(NC[C@]23CC[C@H]2CCCN3Cc2ccccc2)cc1Br 2145618218 QKXUXBWELNFHEU-XMSQKQJNSA-N 428.349 5.317 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CCC[C@@H]2Nc2ccc(C#N)c(Br)c2)CC1 2162397589 KRVDUCQOCUMFMZ-SFHVURJKSA-N 434.378 5.302 30 10 IKEE COc1cc(Br)ccc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2165551729 QLTKNYQCPFOSHI-KRWDZBQOSA-N 435.293 5.603 30 10 IKEE CCN(Cc1ccc(Nc2ncc(Br)cc2C#N)cc1)C(=O)OC(C)(C)C 2169060240 XZRKOTRJHDKXHL-UHFFFAOYSA-N 431.334 5.216 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1Cc2ccc(Nc3cc(Br)cc(C#N)c3)cc2C1 2234126027 HQXMLDCKMAEJMO-LJQANCHMSA-N 428.330 5.056 30 10 IKEE CC(C)(C)OC(=O)NCC1(CC(=O)C#Cc2ccccc2Br)CCCCC1 2235725847 JITPLZXILNPSME-UHFFFAOYSA-N 434.374 5.235 30 10 IKEE C=C([C@@H](NCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)C(C)(C)C 2237397310 AVFLXCASHYZUAU-RTBURBONSA-N 439.438 5.465 30 10 IKEE C=C1CCC(C[C@H](N)[C@@H](Cc2ccccc2Br)NC(=O)OC(C)(C)C)CC1 2237426232 DGINILOYYCHEKC-VQTJNVASSA-N 437.422 5.349 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2cccc(Br)c2C#N)C[C@@H]2CCCC[C@@H]21 2240957237 GGPOQQTXFZSJJL-DOXZYTNZSA-N 434.378 5.301 30 10 IKEE C=CCC1([C@@H](NCC)c2sc(Br)c(C)c2C)CN(C(=O)OC(C)(C)C)C1 2265909947 HLORKGQSGLMTOB-INIZCTEOSA-N 443.451 5.591 30 10 IKEE CC1(C)OB(c2ccc3nc(N(Cc4ccccc4)C4CCCCC4)sc3c2)OC1(C)C 2279016273 DBOWODBPDQIQDU-UHFFFAOYSA-N 448.441 5.935 30 10 IKEE C=CCCCCCC[C@@H](N)[C@](C)(O)c1cc(Br)c(Br)s1 2281229923 CTOUTLHLJSVLSD-DOMZBBRYSA-N 425.230 5.335 30 10 IKEE C=C(CC)C[C@@H](NCCC)[C@@](C)(O)c1cc(Br)c(Br)s1 2281291399 IDKMPCAUALSMJK-IUODEOHRSA-N 425.230 5.205 30 10 IKEE O=C1NC(=Nc2ccc(F)cc2)SC1=Cc1ccccc1OCc1ccccc1Cl 2294013879 ILSDVUZNYNMNMF-UHFFFAOYSA-N 438.911 5.950 30 10 IKEE CCCN[C@H](C#Cc1cccc(Br)c1)C[C@H](CCC)NC(=O)OC(C)(C)C 2296222846 WQAASCUNCHCCOD-UXHICEINSA-N 437.422 5.252 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(O)c3CN3CCCC[C@@H]3C)C2=O)c2cc(OC)ccc21 2296598232 MMZUPYWJHZJXHG-KRWDZBQOSA-N 446.547 5.366 30 10 IKEE COc1cc(C=C2SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc(OC)c1OC 2297296094 VXKPTNQQVWLWBT-UHFFFAOYSA-N 446.528 5.521 30 10 IKEE COc1ccc([C@H]2C(=C(O)C=Cc3ccccc3)C(=O)C(=O)N2c2cccc(C)c2)cc1 2297471186 ZSRYAQQDQCAALM-VWLOTQADSA-N 425.484 5.186 30 10 IKEE Cc1ccccc1N=C1NC(=O)C(=Cc2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)S1 2313514016 KZVSWPWFQDAGBP-UHFFFAOYSA-N 439.880 5.708 30 10 IKEE O=C1C(=Cc2cccc(Cl)c2Cl)Oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc21 2314437685 TVCJFMJOFVGKSA-UHFFFAOYSA-N 442.254 6.097 30 10 IKEE Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)C=Cc3ccccc3Cl)cc(C)c2c1 2320450678 BHSDSEBKBVORSE-UHFFFAOYSA-N 441.922 5.523 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3cc(OCc4ccc(F)cc4)cc(C)c3C1=O)cn2C 2321799332 SYBQGUHKZPXGSA-UHFFFAOYSA-N 443.474 5.830 30 10 IKEE CCc1ccc([C@H](C)N2COc3c(cc4c(c3C)OC(=Cc3cccc(C)c3)C4=O)C2)cc1 2322455533 ZQWCMTYKGLFFNC-FQEVSTJZSA-N 439.555 6.395 30 10 IKEE CCCNC(=O)COc1ccccc1C=CC(=O)c1ccc(OCCC)c(OCCC)c1 2322502471 QAWDWROOTYLYGF-UHFFFAOYSA-N 439.552 5.065 30 10 IKEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1cccc(Cl)c1)NCc1ccco1 2322527792 OWSMMDGVLHKBJX-UHFFFAOYSA-N 430.287 5.178 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1F 2322703688 JESWJSNENHUTNJ-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE COc1cccc(C=CC(=O)c2c(C)cc(C)cc2C)c1OCC(=O)Nc1ccc(C)cc1 2322952984 VTWVAGGDLVASKM-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE COc1ccc(CCC(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(C)o2)C3=O)cc1OC 2323098118 ZGHMDXQDZMIBDP-UHFFFAOYSA-N 448.471 5.068 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2OC)cc1OCC(=O)Nc1cccc(C)c1 2323176653 WNNBAVVJGZDCDS-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(Br)cc2)C3=O)cc1C 2323247717 GFUMAQMXTRMWAL-UHFFFAOYSA-N 449.300 5.901 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)c3ccc(Cl)c(Cl)c3)cc(C)c2C1=O 2323259958 FPRJQSHHAYLQBA-UHFFFAOYSA-N 439.294 6.446 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(OC)c(C)c3)cc2)cc1 2323559682 CYANKXCUAPFTSX-UHFFFAOYSA-N 429.516 5.480 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(Cl)c2)cc1 2323628456 LIWFZIOQTLPPAK-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C)o2)C3=O)cc1 2323889900 HVHJSEWGAQJOKS-UHFFFAOYSA-N 432.428 5.047 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OCc3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1 2324066274 UDPOLICHLBQPBD-UHFFFAOYSA-N 449.934 7.021 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc(Cl)c2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 2324088462 SVXXPRGTQJQFHO-UHFFFAOYSA-N 437.835 5.452 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(Cl)c(Cl)c3)n2)cc1C 2324406295 DZFFOYNCVJXCNM-INIZCTEOSA-N 443.355 6.324 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(C(C)(C)C)cc3)n2)cc1C 2324406309 GSEXILJJDODKLC-OAQYLSRUSA-N 430.573 6.314 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc(F)cc3)c(Cl)c2)c(OC)c1 2324473702 RXZMBYJHUCQXLH-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4cc(C)ccc4OC)ccc3C2=O)cc1 2325118871 ZIBPKKOHRKEVRW-UHFFFAOYSA-N 443.499 5.200 30 10 IKEE Fc1ccc(CSc2nnc(CCc3ccccc3)n2N=Cc2cccc(F)c2)cc1 2325440346 CEFRPWYQOBHBEX-UHFFFAOYSA-N 434.515 5.516 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccc(F)c(Cl)c4)c3C)C2=O)o1 2325603795 LCJUKTDFVZWDAD-UHFFFAOYSA-N 441.842 5.323 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)[C@H](C)c3ccccc3)c2)cc1OC 2325702939 ZYTQFZFINHILGL-GOSISDBHSA-N 446.499 5.318 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)[C@H](C)c3ccccc3)c2)cc1 2325710745 QQLXOLSTJUBDPU-OAQYLSRUSA-N 442.555 6.643 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OC(=O)c1ccc(C(C)(C)C)cc1 2325735479 SAYNNKKPUIYVII-UHFFFAOYSA-N 442.555 6.725 30 10 IKEE COc1ccccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1cccc(Cl)c1)C2=O 2325736380 QOTQSGJRKRMEFA-UHFFFAOYSA-N 449.890 5.291 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1OC(=O)Cc1cccs1 2325736554 JAKKTOPOBYWODF-UHFFFAOYSA-N 447.339 6.108 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccc(C)cc3)c2)c1 2325743631 KEZHETLNIUYZJR-UHFFFAOYSA-N 446.499 5.065 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)CC3CCCCC3)c2)cc1F 2325747767 CMAWJZILPFXNQN-UHFFFAOYSA-N 426.484 5.615 30 10 IKEE Cc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(Oc4ccccc4)cc3)c2)cc1 2325754629 UDABGERJGAQEQU-UHFFFAOYSA-N 448.518 6.832 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2ccc(OC)c(OC(=O)C(C)(C)C)c2)cc1Cl 2325759295 BGOJWLCQTQCEHN-UHFFFAOYSA-N 432.900 5.213 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(C)c(C)c3)c2)c(OC)c1 2325761295 YUEYXHPUCULSMV-UHFFFAOYSA-N 430.500 5.365 30 10 IKEE CCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1N=Cc1cccc(C)c1 2325840971 CWAKHQSZTSJOGL-UHFFFAOYSA-N 436.625 5.890 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1ccccc1C(F)(F)F 2326417890 MTLHJWGIEUZUNH-UHFFFAOYSA-N 446.542 6.431 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2N=Cc2ccc(OCCC)cc2)CC1 2328180569 JGICWHRCLIJXAH-UHFFFAOYSA-N 442.673 6.915 30 10 IKEE CCCCC1CCC(c2nnc(SCCO)n2N=Cc2ccc(C(C)C)cc2)CC1 2328214877 MZGSXRIGEVNDDI-UHFFFAOYSA-N 428.646 5.832 30 10 IKEE O=[N+]([O-])c1ccccc1Cc1nnc(SCc2cccc(F)c2)n1N=Cc1ccccc1 2328465468 HMVUKLFQLFMGLT-UHFFFAOYSA-N 447.495 5.091 30 10 IKEE Cc1cccc(C=Nn2c(Cc3ccccc3F)nnc2SCc2ccccc2F)c1 2329743483 YWAHSIIYRIYVIV-UHFFFAOYSA-N 434.515 5.630 30 10 IKEE CCc1ccc(C=Nn2c(COc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 2329883744 CPPLYVQKALUOOI-UHFFFAOYSA-N 446.551 5.733 30 10 IKEE Cc1ccc(O)c(C=Nn2c(CC3CCCCC3)nnc2SCc2cccc(F)c2)c1 2330249180 GQARGUCMVAOSGZ-UHFFFAOYSA-N 438.572 5.729 30 10 IKEE COc1cccc(C=Nn2c(CC3CCCCC3)nnc2SCc2ccccc2F)c1 2330271335 IICHFORWJYNUOY-UHFFFAOYSA-N 438.572 5.723 30 10 IKEE C=C(C)CSc1nnc(-c2cccs2)n1N=Cc1ccc(OCCCCC)cc1 2330579173 BHGOILIHAONUTM-UHFFFAOYSA-N 426.611 6.126 30 10 IKEE Fc1cccc(CSc2nnc(C(F)(F)F)n2N=Cc2ccc(Cl)cc2Cl)c1 2331123559 OQGXQCJKVNYKSL-UHFFFAOYSA-N 449.260 5.917 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC(=O)CCc1ccccc1C 2331154754 VBMLIJAWRSPWEN-UHFFFAOYSA-N 448.946 6.481 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccc(OC)cc3)cc2)cc1 2331189918 XPIVVPANQDUUKK-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CC3CCCCC3)c(Cl)c2)cc1 2331300748 JPVKTAWANBRPBB-UHFFFAOYSA-N 440.967 6.901 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 2331352384 OWBLHNZYUTXTBM-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(CC(C)C)n2N=Cc2ccccc2Cl)c1 2331437842 INEGNUBBBQDHAV-UHFFFAOYSA-N 441.988 5.051 30 10 IKEE CC(C)Cc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccccc1[N+](=O)[O-] 2331463401 CXBBAWNIRBRCBA-UHFFFAOYSA-N 445.548 5.713 30 10 IKEE Cc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])c(C)c1 2331527785 XTVQPYGQFNPSQK-UHFFFAOYSA-N 449.434 5.231 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2cccc3ccccc23)c([N+](=O)[O-])c1)c1ccc(F)cc1 2331529042 BBPBIHYQNILFRX-UHFFFAOYSA-N 441.414 6.002 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)CCCOc1ccccc1 2331540174 UPVDPMPXKPKZQN-UHFFFAOYSA-N 434.463 5.495 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H]3CCCO3)c(Cl)c2)c(OCC)c1 2331734102 HNBFXACMGANMFE-JOCHJYFZSA-N 444.911 5.118 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Cl)cc(Br)c1F 2337098955 UFJZUVPYTPPRLT-NVXWUHKLSA-N 447.776 5.199 30 10 IKEE CN(CC(C)(C)CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2339542865 IJSAFQHRRVHECO-BUHFOSPRSA-N 445.413 5.031 30 10 IKEE N#C[C@@H](C(=O)c1cc(Br)sc1Br)c1ccc(Cl)c(F)c1 2362140860 KPCFXAMBNDVCFK-MRVPVSSYSA-N 437.515 5.556 30 10 IKEE CCc1ccc(C#N)c(OCc2cc(I)ccc2Br)c1 2367520177 QOPYNALXRQNYHE-UHFFFAOYSA-N 442.094 5.067 30 10 IKEE COC(=O)c1ccc(COc2ccc3c(c2)O/C(=C/c2ccc(C(C)(C)C)cc2)C3=O)cc1 2419095 ZVAPNJYYKRPRSA-MFKUBSTISA-N 442.511 5.966 30 10 IKEE CC(C)(C)c1cc(/C=C2\S/C(=N\c3ccccc3Cl)NC2=O)cc(C(C)(C)C)c1O 15015827 ROTZSHUWNJZVDP-UYRXBGFRSA-N 443.012 6.532 30 10 IKEE Cc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(OCc3ccccc3)cc2)cc1 21251164 FVTWYVQOZAWIGG-ZCYQVOJMSA-N 437.539 5.578 30 10 IKEE Cc1cc(Cl)ccc1N/C(=N/C(=O)c1ccc(C(C)(C)C)cc1)NCc1ccncc1 21534120 HVNODIIXHYJFNC-UHFFFAOYSA-N 434.971 5.739 30 10 IKEE CCC(C)(C)[C@H]1C/C(=C\c2cc(C#N)n(C)c2C)c2nc3ccccc3c(C(=O)O)c2C1 32642179 MRWPCWXVFOXYEM-MVDPLZLPSA-N 427.548 5.991 30 10 IKEE CCOc1ccc2oc(C)c(C(=O)Oc3ccccc3/C=C\C(=O)c3ccc(C)cc3)c2c1 34954962 AFDANKXEEDPZBL-SQFISAMPSA-N 440.495 6.564 30 10 IKEE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\Oc3cc(C)c(C)cc3C2=O)cc1 39842687 BKRTUGUTFGMHGW-QQXSKIMKSA-N 436.511 6.171 30 10 IKEE Cc1csc(/N=C2/S/C(=C\C(Cl)=C\c3ccccc3)C(=O)N2C2CCCCC2)n1 39865635 RNWMDWADDUITQQ-AMGIMTBESA-N 444.025 6.511 30 10 IKEE C=CCc1ccccc1OCCCn1c([C@@H](C)NC(=O)c2ccco2)nc2ccccc21 40196564 XSDYHMWOBXIJFN-LJQANCHMSA-N 429.520 5.318 30 10 IKEE CSc1cccc(N/C(=N/C(=O)c2ccc(C(C)(C)C)cc2)NCc2ccncc2)c1 45939499 YNRNESLFHYJHAZ-UHFFFAOYSA-N 432.593 5.499 30 10 IKEE Cc1ccc(CSc2nc3ccc(/N=C/c4c(O)ccc5ccccc45)cc3s2)cc1 59517247 PZRAFCLFQZJNIB-JFLMPSFJSA-N 440.593 7.506 30 10 IKEE CCCCCCCOc1ccc(NCC(=O)Nc2cccc(OCc3ccccc3)c2)cc1 100077528 CTFQHUGMBHSNAR-UHFFFAOYSA-N 446.591 6.665 30 10 IKEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2OC)cc1 100419622 NMHKSZHEJRYFDF-UHFFFAOYSA-N 445.541 5.079 30 10 IKEE C[C@H](CCC=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5CCCCO5)CC[C@]4(C)[C@H]3CC[C@@]21C 140805525 LLPUNUWSDVKWLQ-GIZFXVQRSA-N 442.684 7.092 30 10 IKEE COc1cc(/C=N/Nc2ccc(C)c(Cl)c2)cc([N+](=O)[O-])c1OCc1ccccc1 169879469 CQYKEKQIQKWRBB-ZMOGYAJESA-N 425.872 5.590 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccc(O)cc2)c1 169958956 DKTLCDBQANIOAF-HSZRJFAPSA-N 431.463 5.239 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2cccs2)cc1 169982906 RFONIEXQXXNRHJ-HSZRJFAPSA-N 431.557 6.217 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2cccc3ccccc23)cc1C 170044565 UPCOCWQVMKRXFG-BWKNWUBXSA-N 441.527 5.214 30 10 IKEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1c[nH]c2ccccc12 170075604 ASNNRJYLQQLBRF-HSZRJFAPSA-N 442.902 5.913 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cccs1 170163957 WTYWMFDYSNBJGG-QFIPXVFZSA-N 437.605 6.265 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccs2)cc1C 170166709 DJECFDGLDRHYEB-OAQYLSRUSA-N 425.550 5.366 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccccn2)c(C)c1 170175635 BMGQJSQDTUFPDK-RUZDIDTESA-N 434.495 5.635 30 10 IKEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(Cl)c4)[C@H]3c3ccccc3)ccc2O1 170226975 PKEGWHVYNNDNRN-WNSKOXEYSA-N 445.902 5.446 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccccc2)cc1C 170229628 RSMXORHYTBASKT-QHCPKHFHSA-N 449.453 5.455 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@@H]1c1ccc(Cl)cc1 170236092 OOSUYHRUNMLQSP-FQEVSTJZSA-N 427.928 5.344 30 10 IKEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2ccc(F)cc2)cc1 170243531 XMMKYUNGYWAPPV-JOCHJYFZSA-N 425.500 5.383 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccc2F)c1 170249594 UJEVXKMAGFBBLO-XMMPIXPASA-N 445.490 5.706 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1ccc(CC)cc1 170268358 SUWALEPQAZXLFB-VWLOTQADSA-N 447.619 6.623 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@H]1c1cn(C)c2ccccc12 170269405 KOOBFPCESJXMMC-XMMPIXPASA-N 446.547 5.182 30 10 IKEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccco2)c1 170289133 BQISMTNRTKUQFU-QHCPKHFHSA-N 425.440 5.230 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2Cc2cccs2)o1 170298088 QDZJLBVYQSMKAT-SFHVURJKSA-N 448.327 5.735 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2CCOC(C)C)o1 170298765 AKSIOOPPKZPZOW-QFIPXVFZSA-N 439.552 5.197 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(C)o2)cc1C(C)C 170298984 GUJKEZRVTIDLTA-QHCPKHFHSA-N 449.478 5.642 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(C)o1 170303743 KEGVWYXUSPTXCD-QFIPXVFZSA-N 431.488 5.305 30 10 IKEE CCCCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(CC)cc2)cc1 170391673 MLLHUMCAYLBGMO-DEOSSOPVSA-N 445.584 6.436 30 10 IKEE Cc1ccccc1N=C1S/C(=C2/Sc3ccccc3N2C)C(=O)N1c1ccc(F)cc1 254506712 ZUGRIJCPIJANTG-GAUWVFOVSA-N 447.560 6.313 30 10 IKEE CCOc1c(Br)cc(/C=C\B2OC(C)(C)C(C)(C)O2)cc1Br 396738685 NDNYMKJKEAWAEL-FPLPWBNLSA-N 431.961 5.255 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)ccc1Br)NCC 407550923 AYJRIOBSNQKHGN-MSOLQXFVSA-N 445.829 5.483 30 10 IKEE COc1ccc2c(c1)c([C@@H]1C(c3ccc(C)cc3)=C(O)C(=O)N1c1ccc(C#N)cc1)cn2C 526492288 WLCKIDIAOAGNQP-AREMUKBSSA-N 449.510 5.424 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(O)c1 526609555 VXKCUJZZSPYZQW-OAQYLSRUSA-N 437.282 5.628 30 10 IKEE CCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1ccc(OC(C)(C)C)cc1 526802065 AFKDYAKGAURJDV-MYYYXRDXSA-N 426.561 5.722 30 10 IKEE COc1cc(C)c(C)cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)c1cc(C)ccc1C 586218020 BUMPCCQMAJSFJD-UHFFFAOYSA-N 434.561 5.196 30 10 IKEE COc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(C)cc2)c(Br)c1 698906542 ZZIWAPQDCRACHD-IBGZPJMESA-N 431.330 5.773 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C1 724029038 OTAYWDZRKBSKEV-HXOBKFHXSA-N 449.979 5.811 30 10 IKEE FC(F)(F)Cn1ccc(C=NNc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)n1 1081014542 YQNFQAAFJKPTAC-UHFFFAOYSA-N 448.758 5.021 30 10 IKEE C=CCn1c(SCC(=O)OC/C=C\c2ccccc2)nnc1-c1ccc2ccccc2c1 1084017431 XAPHJKLDVAWBMU-FLIBITNWSA-N 441.556 5.633 30 10 IKEE CCc1ccc(N=C2S/C(=C\c3cc(C)n(C)c3C)C(=O)N2c2ccc(CC)cc2)cc1 1084170608 DZUJESVBVWKNDO-NARSBJQYSA-N 443.616 6.575 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=Nc1ccncc1Cl 1772732879 HKGFWIMPYSEDRW-FZOVEGBXSA-N 440.868 5.137 30 10 IKEE CC1CCC(N(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cccc(F)c2)CC1 1859927760 GACOCYFPYIARBH-UHFFFAOYSA-N 447.394 7.089 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)/C=C/c1ccc(OCC)c(OC)c1 1861582959 RZXYZJGRQXWESQ-BKELBIJQSA-N 446.632 5.259 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccc(F)c2)cc1 1862391105 SIDKPKNSEZYESO-XMMPIXPASA-N 444.506 5.342 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccccc2C(=O)O)cc1 1862393988 AVAKXGOKHDOUHL-QHCPKHFHSA-N 449.547 5.352 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccc(C)cc2)cc1C 1862400861 OJHZMRQFHAOZOI-DFBJGRDBSA-N 441.527 5.652 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1cc(Cl)cc(Cl)c1 1862408379 KOKMSGQNRZSREI-ZUOKHONESA-N 448.346 5.687 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1cc(Cl)cc(Cl)c1 1862408635 QOYKJNSMDQQPOZ-LJQANCHMSA-N 434.319 5.299 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(F)cc1 1862430353 IPKHCDFXDFTVFT-GCJKJVERSA-N 443.946 6.416 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccc(O)c(O)c2)c1 1862489234 SKZCZOVVSRQPAH-OSPHWJPCSA-N 443.499 5.054 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccc(O)cc2)cc1 1862489778 GQGNAGZGHXRREN-DEOSSOPVSA-N 427.500 5.096 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2ccc(F)cc2F)cc1 1862534119 OKJYJVIPSLGWPW-DEOSSOPVSA-N 447.481 5.614 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CC(C)C)c1 1862581340 FGHXGLACYLTPBS-IBGZPJMESA-N 434.319 5.236 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(F)c1 1862581377 GRFKOXCJXJCFFX-LJQANCHMSA-N 436.310 5.757 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(Cl)cc1Cl 1862622461 DWKPHNUDPNYUDI-LJQANCHMSA-N 432.347 5.889 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C(C)C)c1 1862623105 QTWNMQOMMPAWNN-HSZRJFAPSA-N 435.564 5.760 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(OC)c(OC)c1 1862655400 HTFKDKGZOHPABB-UPCLLVRISA-N 445.515 5.234 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 1862682699 KTESFIZSNMZOOM-IBGZPJMESA-N 433.401 5.365 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2c(Cl)cccc2Cl)c1 1862705959 KFWRLTVRDZWTST-HXUWFJFHSA-N 448.346 5.626 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862737766 LJWVTZCWYBWBBL-VFNWGFHPSA-N 436.508 5.269 30 10 IKEE CC(C)c1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccccc3Cl)C2=O)cc1 1863075466 FTQKVTMOXKCPFX-UHFFFAOYSA-N 441.918 5.732 30 10 IKEE CCCCCCCCNC1=C(c2ccc(F)cc2)C(=O)N(Cc2cccc(Cl)c2)C1=O 1863511864 IGLKTUHVMSNQMJ-UHFFFAOYSA-N 442.962 5.709 30 10 IKEE Cc1ccccc1-c1nc(Nc2ccc(C#N)cc2)cc(N2CCN(CC(C)(C)C)CC2)n1 1868311296 ORJHLNRAOZNCPZ-UHFFFAOYSA-N 440.595 5.235 30 10 IKEE CCCc1nc(Nc2ccc(C#N)cc2)cc(N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)n1 1868401443 ZNKWUUGJNKHZMK-DEOSSOPVSA-N 439.607 6.683 30 10 IKEE CCCCCCCCCCn1cc(OCC(=O)OCCC)c(=O)cc1CSCC 1870228290 WKAAALIVFYFBRR-UHFFFAOYSA-N 425.635 5.574 30 10 IKEE CCCCCCCOc1cn(CCN(CC)CC)c(CN(CCCC)CCCC)cc1=O 1870411968 UDCOGKXJVMKRAH-UHFFFAOYSA-N 449.724 5.942 30 10 IKEE C=CCn1cc(OCc2cccc(Cl)c2)c(=O)cc1CNc1cc(Cl)ccc1C 1870827656 RRNSQGGKNMPYDI-UHFFFAOYSA-N 429.347 5.841 30 10 IKEE CCCCCCCOc1cn(C[C@@H]2CCCO2)c(CNc2cccc(Cl)c2C)cc1=O 1870833449 JQYDJTZJUMBTJV-NRFANRHFSA-N 447.019 5.950 30 10 IKEE CCCCCCCOc1cn(CC)c(CNc2ccc(Oc3ccccc3)cc2)cc1=O 1870835772 IPLHEUSZBNHRBY-UHFFFAOYSA-N 434.580 6.622 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(Cl)cc2)c(CNc2ccccc2)cc1=O 1870838898 ZWHDRLYFJDKLPX-UHFFFAOYSA-N 438.999 6.511 30 10 IKEE C=CCn1cc(OCCC)c(=O)cc1CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1871104908 XLPPBVDSKKYFKR-UHFFFAOYSA-N 434.380 5.473 30 10 IKEE CCCCCCCCCCn1cc(OCC(N)=O)c(=O)cc1CNc1ccc(C)cc1C 1871118135 CINZCDBLGFUUMG-UHFFFAOYSA-N 441.616 5.082 30 10 IKEE CCCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccccc1C 1871252455 BMRMXQAHQWWDGH-UHFFFAOYSA-N 429.564 5.800 30 10 IKEE Cc1ccsc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(Cc1nc2ccccc2[nH]1)C3 1871347442 YOJYRCMFIZXICJ-JMIUGGIZSA-N 443.528 5.210 30 10 IKEE C[C@H]1CCCC[C@H]1N1COc2ccc3c(c2C1)O/C(=C\c1ccc(Cl)c(Cl)c1)C3=O 1871350481 HXKQTUOSBTUCJS-ZPLCQEAQSA-N 444.358 6.340 30 10 IKEE COc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN([C@@H]2CCCC[C@@H]2C)C4)cc1OC 1871351279 SBCIJSYXTSXHLF-AIIRFFNTSA-N 449.547 5.359 30 10 IKEE CCn1cc(/C=C2\Oc3c(ccc4c3CN([C@H]3CCCC[C@H]3C)CO4)C2=O)c2ccccc21 1871351334 VUHFDPMBDMOUEU-AZNBTFAZSA-N 442.559 6.008 30 10 IKEE COC(=O)c1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN([C@@H]2CCCC[C@@H]2C)C4)cc1 1871351350 WMFHYOJNZHXMNG-BDIWLQQYSA-N 447.531 5.128 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1ccc(-c4ccccc4)cc1)C3=O)CN(CCC(C)C)CO2 1871359691 VXRHJYUDEOSCIC-YSMPRRRNSA-N 439.555 6.476 30 10 IKEE Cc1cc(C)c(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccco2)C3=O)c(C)c1 1871402267 GSABLUQLYCFBRQ-AIRTYWKNSA-N 431.488 5.535 30 10 IKEE Cc1cccc(OCCCOc2ccc3c(c2C)O/C(=C\c2ccc4c(c2)OCO4)C3=O)c1 1871404905 GYKXGBYJQBBMMC-MYYYXRDXSA-N 444.483 5.496 30 10 IKEE Cc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccc(Cl)cc1)C2=O 1871408567 CQTCFXQGXWJPJF-NQRZERFFSA-N 447.918 5.979 30 10 IKEE Cc1c(OCc2cccc3ccccc23)ccc2c1O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 1871434601 RHHCRKCFQYEYQN-MYYYXRDXSA-N 437.451 6.252 30 10 IKEE CCCCCCOC(=O)[C@H](CC)Oc1ccc2c(c1)O/C(=C\c1ccccc1OC)C2=O 1871435174 YLUDJRIMZFKNQX-MVUTXWCHSA-N 438.520 5.592 30 10 IKEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C)c(Cl)c4)ccc3C2=O)cc1 1871456666 POSNCXNQCPAJOU-MSXFZWOLSA-N 447.918 5.845 30 10 IKEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1cc(C)ccc1C 1871895662 ZFCRULQTAZZZCF-HSZRJFAPSA-N 442.625 5.294 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1 1872551696 VBUUVOKCFVWKGW-DEOSSOPVSA-N 442.625 5.232 30 10 IKEE N#C[C@H](C(=O)Cc1cccc2ccccc12)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872759691 WKEXRADSIVXPMO-AREMUKBSSA-N 444.559 7.049 30 10 IKEE COc1cccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)c1 1872762852 XZLWTTHWLDPAJZ-MLGOLLRUSA-N 447.343 5.769 30 10 IKEE COc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 1872772604 FRIVEYFHZAUQDF-QFIPXVFZSA-N 448.588 6.152 30 10 IKEE CC(C)c1ccc(O[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 1872772823 IAZZGENWLOHHJY-MBSDFSHPSA-N 446.616 6.875 30 10 IKEE CC(C)c1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccccc3Cl)n2)cc1 1872775938 DSWVUKGRAWKWLP-LJQANCHMSA-N 438.980 6.622 30 10 IKEE COc1c(C)cc(C)cc1-c1csc([C@@H](C#N)C(=O)[C@H](C)Oc2ccccc2C(C)C)n1 1872780281 DWFNLJZFOSQPLP-RXVVDRJESA-N 448.588 6.203 30 10 IKEE CCOc1ccc(OCC)c(-c2csc([C@H](C#N)C(=O)c3ccc(F)c(F)c3F)n2)c1 1872780458 IUFYHZICPHPUKM-OAHLLOKOSA-N 446.450 5.515 30 10 IKEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)COc3cc(Cl)ccc3Cl)n2)cc1C 1872782602 LCXCEGYPZYZJHR-INIZCTEOSA-N 431.344 5.989 30 10 IKEE CCCCCCCCNC1=C(c2cccc3ccccc23)C(=O)N([C@H]2CCCC[C@@H]2C)C1=O 1873025638 OGTMZRYGXRBEHW-OFVILXPXSA-N 446.635 6.449 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C(=O)OCC)cc2)=C(c2ccccc2)C1=O 1873415280 MDQCCOYVCWDZGI-UHFFFAOYSA-N 448.563 5.416 30 10 IKEE CCCCCCCCCCNC(=O)c1cc2c(N(CC)CCCC)ncnc2n1CC 1873570661 COHNZBGDFNAKKV-UHFFFAOYSA-N 429.653 5.948 30 10 IKEE CCOc1cccc(/C=N/n2c(COc3ccc(Cl)c(C)c3)nnc2SCC)c1 1874230646 UWQPWNQXWFWSNM-YDZHTSKRSA-N 430.961 5.212 30 10 IKEE CCCOc1ccc(/C=N/n2c(CCCOc3cccc(C)c3)nnc2SCC)cc1 1874245965 GHHBVRYJGXNTKV-XIEYBQDHSA-N 438.597 5.381 30 10 IKEE Fc1ccccc1CSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccco1 1874279121 VIBIEGBAYFNOJB-AFUMVMLFSA-N 440.931 5.623 30 10 IKEE C=CCSc1nnc(C2CCC(CCCC)CC2)n1/N=C/c1cccc(OC)c1OC 1874287679 RKCDLWUTVXYLAM-KOEQRZSOSA-N 442.629 5.920 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1cccn1C 1874336104 BNWCJLBYMKWTTC-MFKUBSTISA-N 435.984 5.344 30 10 IKEE CCCSc1nnc(Cc2cccs2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874413748 JGRFYICECBZLDY-KOEQRZSOSA-N 448.617 5.894 30 10 IKEE Fc1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2cccc3ccccc23)cc1 1874421971 NTSYHCYNRSPUFO-CVKSISIWSA-N 444.560 6.473 30 10 IKEE Clc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2-c2ccccc2)cc1 1874429275 AOCRAMLNXJFSQZ-AFUMVMLFSA-N 439.371 6.426 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1cccc(O)c1 1874440717 PLCBWTAZPXZQNI-WYMPLXKRSA-N 449.407 6.054 30 10 IKEE Clc1cccc(Cl)c1CSc1nnc([C@H]2CCCO2)n1/N=C/c1cccnc1 1874448548 FNZGZBXLNXNXCU-TVSCDJBNSA-N 434.352 5.006 30 10 IKEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3cccc(C)c3C)nnc2C2CCCC2)c1 1874452261 MTFPRTCLMANPGQ-CVKSISIWSA-N 447.608 5.474 30 10 IKEE CCCCOc1ccc(/C=N/n2c(SCc3ccccc3)nnc2C2CCCC2)cc1 1874456080 ZMCINLZSYQBMTG-NLRVBDNBSA-N 434.609 6.289 30 10 IKEE Cc1ccsc1/C=N/n1c(SCc2cccc3ccccc23)nnc1-c1ccco1 1874468233 YSBMDSQVDBFNCK-ZVHZXABRSA-N 430.558 6.236 30 10 IKEE CCCCc1nnc(SCc2ccccc2C)n1/N=C/c1c(Cl)cccc1Cl 1874476839 VOPBVPWEGIDHLD-ZMOGYAJESA-N 433.408 6.410 30 10 IKEE COCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(C(C)C)cc1 1874506038 LCLUTODKUKDHJF-BHGWPJFGSA-N 449.407 6.029 30 10 IKEE CCCc1nnc(SCc2ccccc2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874507762 TVFWBLQPGWAQOL-OVVQPSECSA-N 442.588 5.984 30 10 IKEE CCOc1c(/C=N/n2c(SCc3ccccc3Cl)nnc2C(C)C)cccc1OC 1874513541 DCLOCONNSWWYOM-ZMOGYAJESA-N 444.988 5.637 30 10 IKEE CCOc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nnc2C2CC2)c1 1874523200 GGKIPTBPZRWXOR-WYMPLXKRSA-N 447.391 6.036 30 10 IKEE CCCCC1CCC(c2nnc(S)n2/N=C/c2ccc(OCc3ccccc3)cc2)CC1 1874563632 OQYSZGCXTJACPX-OVVQPSECSA-N 448.636 6.492 30 10 IKEE CCOC(=O)c1ccc(COc2ccccc2/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)o1 1874589831 FGYFDSFHUXMRNA-NTCAYCPXSA-N 446.543 6.537 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3ccccc3C)c2)cc1 1874594109 SOFNPSSAOSBXIU-RVDMUPIBSA-N 429.516 5.480 30 10 IKEE CCCN(CCC)C(=O)COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC 1874595244 BCGNPHLNGDKDTL-PKNBQFBNSA-N 429.944 5.272 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2cccc(OCC(=O)Nc3cc(C)ccc3C)c2)c(C)c1 1874600176 YAQWNVNZOIPPKM-VAWYXSNFSA-N 427.544 6.142 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1 1874604601 WGHQBTSYJNWDEB-IZZDOVSWSA-N 445.773 7.684 30 10 IKEE C=C(C)COc1c(Cl)cc(/C=C/C(=O)c2ccc(Br)cc2)cc1OCC 1874607767 FNBFQUDDGOYRAZ-BJMVGYQFSA-N 435.745 6.352 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OCC(=O)Nc3nccs3)c(Cl)c2)ccc1F 1874618867 WTIYVXDJTRUBFD-QHHAFSJGSA-N 430.888 5.158 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(OC)c1OCC(=O)OCCC 1874623060 KFJRXGIFTBJKLI-CCEZHUSRSA-N 444.527 5.805 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 1874698762 MSNOORNGQVLZEX-XYOKQWHBSA-N 447.443 5.036 30 10 IKEE O=C(COCc1ccccc1)Oc1cccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1 1874702942 RGPXMCCDRLNFSJ-FMIVXFBMSA-N 441.310 6.012 30 10 IKEE COc1ccccc1CCC(=O)Oc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC 1874709546 GVVYMTOGVXYDIR-VGOFMYFVSA-N 434.463 5.277 30 10 IKEE COc1cccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3cc(C)cc(C)c3OC)c2)c1 1874713402 URSJIJZHKUXTFN-VAWYXSNFSA-N 446.499 5.201 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3cc(C)ccc3C)c2)c(OC)c1 1874714292 OAPITXFQANMEOS-JLHYYAGUSA-N 430.500 5.365 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc1OC(=O)c1cccs1 1874718952 SRCDWYVOOIKGTF-FMIVXFBMSA-N 444.508 6.034 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](C)CSc2nnc(C3CCC(CCCC)CC3)n21 1875051241 QIFVXFLGXBSNOD-MWXLCCTBSA-N 434.694 6.452 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cc(C)ccc3C)cc2)cc1OC 1875099270 ZBPPRRIQYMWOMS-UKTHLTGXSA-N 430.500 5.365 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c(Cl)c2)cc1 1875099950 GVMQNADIMDZNCF-WUXMJOGZSA-N 449.890 6.234 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(Cl)c1OC(=O)Cc1ccccc1 1875100548 GTWSQXARPGGILM-NTCAYCPXSA-N 448.946 6.345 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCOc3ccccc3)c([N+](=O)[O-])c2)cc1 1875100876 LYRIZOQGYILEBX-GXDHUFHOSA-N 445.471 5.428 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1cc(C)cc(C)c1 1875118178 OYKOCRJKMFWTGD-ONNFQVAWSA-N 431.444 5.336 30 10 IKEE CCc1ccc(C(=O)Oc2c(OC)cc(/C=C/C(=O)c3cc(C)ccc3C)cc2OC)cc1 1875137711 AERAVWSJQPVWPA-SDNWHVSQSA-N 444.527 5.998 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc(Cl)c1OC(=O)C1CCC1 1875146246 KURVJGAWPVUTEJ-SOFGYWHQSA-N 442.895 5.112 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OC(=O)c1cccc(Cl)c1 1875156034 HTFZUQWGUOFWCP-WYMLVPIESA-N 442.898 6.617 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COCc3ccccc3)cc2)c(C)c1C 1875168030 UECUWLGLOCLUOB-RVDMUPIBSA-N 430.500 5.330 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(Br)cc3)cc2)cc1C 1875175987 QNOGVHQHKHWJLG-RIYZIHGNSA-N 449.344 6.110 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OC(=O)CCc2ccccc2C)cc1 1875180695 UIJMPBHOFQDDCV-GXDHUFHOSA-N 448.946 6.400 30 10 IKEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3c(C)cc(C)cc3C)cc2OC)c1 1875184750 OSQIOKRXBYUSHO-ZRDIBKRKSA-N 444.527 6.134 30 10 IKEE O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1C(F)(F)F 1889876117 XKZHTAXGEBLYFC-UHFFFAOYSA-N 435.673 6.649 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(F)cc1Br 1898088945 QZCHIVCCYOCNEO-ZWKOTPCHSA-N 429.374 5.488 30 10 IKEE C=CCN(CC[C@H](NCCC)c1ccc(F)cc1Br)C(=O)OC(C)(C)C 1898131243 GSNOCWZRFIQHJU-SFHVURJKSA-N 429.374 5.442 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](O)c1cccc(Cl)c1Br 1922069220 OYOUZHQDYPYSJM-SFTDATJTSA-N 438.793 5.277 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)OC(C)(C)C 1922085270 HPEACXAWAYFCPA-ZJZGAYNASA-N 428.617 5.306 30 10 IKEE C=C(COCc1ccccc1)[C@@H](CC12CCC(CC1)N2C(=O)OC(C)(C)C)NCCC 1922108744 WNRYJRYCLHXFHD-VVCJCJSVSA-N 428.617 5.450 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)cc1 2031669330 IVZDOCORARHPMP-NRFANRHFSA-N 443.588 6.558 30 10 IKEE C=CCN(CC[C@H](NC)c1ccc(Cl)c(Br)c1F)C(=O)OC(C)(C)C 2037957369 DNJXTMTYPQZBLV-AWEZNQCLSA-N 435.765 5.315 30 10 IKEE COc1ccc2cc(C(=O)C=Cc3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)ccc2c1 2053508665 DQQPJVUFGAORJJ-UHFFFAOYSA-N 443.484 5.594 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](N)c2c(Cl)ccc(Br)c2F)C1 2063051862 KKFWLHYPJVHFFY-OAHLLOKOSA-N 433.749 5.103 30 10 IKEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)cc(Br)c1)NCCC 2063090789 VHRLHZVSMZIVTR-SJORKVTESA-N 431.802 5.093 30 10 IKEE C=C([C@@H](N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)[Si](C)(C)C 2071357826 RTPVBQLJJURZAC-SXOMAYOGSA-N 447.651 5.639 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2071502216 WKTKHLVAIGWLPK-MTJJIEKYSA-N 445.535 5.249 30 10 IKEE C[C@@H](c1ccc(C2CCC2)cc1)n1nc(C2CCC2)c(C#N)c1I 2079950796 KAAQYLOHARHETE-ZDUSSCGKSA-N 431.321 5.504 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCC(C)(C)C[C@@H]2OCc2ccccc2)cc1 2105746487 ASWKPTBJGFABJV-CUBQBAPOSA-N 448.607 6.794 30 10 IKEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1ccc(Cl)c(Br)c1 2124449002 PCOZPOQSWXUTGL-HNNXBMFYSA-N 444.757 5.018 30 10 IKEE C=CC1(C[C@H](NCC)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CCC1 2134729832 LADCXQZNIBJIJA-MHZLTWQESA-N 441.615 7.242 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1ccc2[nH]ccc2c1 2145030996 ZRAAJZRDWOEVQD-LJQANCHMSA-N 426.314 5.937 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(CCC[C@H]2Nc2cc(Br)c(C#N)cc2F)C1 2162323556 ONWHCWANYIGHRJ-XLIONFOSSA-N 438.341 5.051 30 10 IKEE COc1cc([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)ccc1Br 2192145094 VOQZKIBXCNJYBE-SFHVURJKSA-N 437.378 5.982 30 10 IKEE CC#CCCCC[C@@H](NCCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2196175460 YIXLSFBLOLHUGX-HXUWFJFHSA-N 437.422 6.421 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[C@@]2(C#N)N(C(=O)OC(C)(C)C)C2CCC2)C1 2213335981 LFFSQMCLKJQUHV-YJLYGGOZSA-N 433.593 5.095 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)CCC12CC2 2220213477 JYABZWBNDYWCNI-DEOSSOPVSA-N 445.535 5.393 30 10 IKEE CCCC#C[C@H](NCCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237417092 KQYXOYIBXZSJEA-VQTJNVASSA-N 437.422 5.057 30 10 IKEE Cc1c(Cl)cc(C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)cc1Br 2239529062 CHVUXOPENCUWSB-UHFFFAOYSA-N 442.590 5.109 30 10 IKEE C#C[C@@H](c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)N1CCCCCC1 2258113572 NCZFPEXPDDOKHS-MHZLTWQESA-N 425.572 6.395 30 10 IKEE C[C@@H](NC(=O)OC(C)(C)C)c1cccc(NC(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)c1 2267090172 KHLPMVXKRIXRCL-FAEJEUNOSA-N 444.381 5.083 30 10 IKEE CC(C)N(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1c(Br)cccc1C#N 2285189276 CQCLQHBVKUNYGM-KRWDZBQOSA-N 436.394 5.325 30 10 IKEE CCCCN=C(C=C1SN(CCC)C(=S)N1c1ccccc1)c1ccc(Cl)cc1 2293497317 WIORRTOUMOHFKB-UHFFFAOYSA-N 444.069 6.936 30 10 IKEE O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@H](c2ccccc2)C1=C(O)c1ccc(F)cc1 2297060214 IYICTCVVUAHZNQ-HXUWFJFHSA-N 448.450 5.201 30 10 IKEE N#Cc1ccc(N2C(=S)C3(CCCCC3)[C@@H](N3CCCC3)C2=NC2CCCCC2)cc1 2297382586 HYJDMDBZIMBCOQ-QHCPKHFHSA-N 434.653 5.852 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)c1 2302796191 PTIAXSLNQVZTMZ-VAMGGRTRSA-N 429.561 5.322 30 10 IKEE Cc1cccc(Cn2cc(C=C3SC(=Nc4ccc(F)cc4)NC3=O)c3ccccc32)c1 2313557795 MDBDFCYVTJLESS-UHFFFAOYSA-N 441.531 6.029 30 10 IKEE O=C1C(=Cc2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)Oc2ccc(Cl)cc21 2314519561 STMRFKMMXAADFR-UHFFFAOYSA-N 443.846 5.717 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(OCCCC)c(OC)c2)SC1=Nc1cccc(C)n1 2314540163 KHHMTYBFMRNFSR-UHFFFAOYSA-N 437.565 5.368 30 10 IKEE O=C1C(=Cc2ccc[nH]2)SC(=Nc2nc(-c3ccccc3)cs2)N1c1ccccc1 2314543510 FXZSKEMOQIHKGK-UHFFFAOYSA-N 428.542 5.947 30 10 IKEE CCCN1COc2cc(C)c3c(c2C1)OC(=Cc1cn(CC)c2ccc(OC)cc12)C3=O 2322046633 KNAVJOKGDCIVKG-UHFFFAOYSA-N 432.520 5.156 30 10 IKEE Cc1cccc(C)c1OCCCc1nnc(S)n1N=Cc1c(Cl)cccc1Cl 2322214688 QBOSLBJPDRLDLV-UHFFFAOYSA-N 435.380 5.384 30 10 IKEE CCc1ccc([C@@H](C)N2COc3ccc4c(c3C2)OC(=Cc2ccccc2Cl)C4=O)cc1 2322259989 XKIGMIUFFJJYMZ-QGZVFWFLSA-N 445.946 6.432 30 10 IKEE O=C(C=Cc1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 2322457424 GTGPKVLJECPLGL-UHFFFAOYSA-N 438.277 5.832 30 10 IKEE COc1ccc(OC)c(C=C2Oc3cc(OC(=O)c4ccc(C)cc4)cc(C)c3C2=O)c1 2322671449 JJXGQDWFRUAFNL-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2c(OCCc3ccccc3)ccc3ccccc23)c1C 2322840680 PXYXXDIETYVKRL-UHFFFAOYSA-N 434.579 7.591 30 10 IKEE Cc1cc(OC(=O)c2cccc(Br)c2)cc2c1C(=O)C(=Cc1cccs1)O2 2322930462 OLXDUTRMPDJWGI-UHFFFAOYSA-N 441.302 5.654 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1OCc1ccccc1 2323232064 VWFNSSYPOIZMEE-UHFFFAOYSA-N 436.507 6.963 30 10 IKEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)C=Cc1ccc(C(C)C)cc1 2323259018 RZAHDSMSEWFREQ-MHZLTWQESA-N 428.661 6.365 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)C=Cc1ccc(C(C)C)cc1 2323260151 BSAFLJNQTBBDII-JWQCQUIFSA-N 442.644 5.042 30 10 IKEE O=C1C(=Cc2cccc([N+](=O)[O-])c2)Oc2cc(OC(=O)c3c(F)cccc3Cl)ccc21 2323353236 DUCRRXMDIKMIKN-UHFFFAOYSA-N 439.782 5.223 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)C=Cc4ccc([N+](=O)[O-])cc4)c3C)C2=O)cc1 2323601677 LIQUBWPRGSNILP-UHFFFAOYSA-N 441.439 5.447 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(OC)c1OCc1cccc(Cl)c1 2323602725 YJVZYGXYSDJHOL-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE O=C(Oc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O)c1ccc(Cl)c([N+](=O)[O-])c1 2323701186 QXIFEEDZPREKOW-UHFFFAOYSA-N 439.782 5.223 30 10 IKEE O=C(CCc1ccccc1)Oc1ccc2c(c1)OC(=Cc1ccccc1Br)C2=O 2323720611 NSZYYWWBDJFYMK-UHFFFAOYSA-N 449.300 5.604 30 10 IKEE CCCOc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2323827288 QGEAICRQDUDNSW-UHFFFAOYSA-N 448.902 6.273 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cc(Cl)c(OCCCO)c(OC)c1 2324216545 FOHWIMIRQDRAGQ-UHFFFAOYSA-N 432.944 5.312 30 10 IKEE COc1cccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4cccc(C)c4C)ccc3C2=O)c1 2324498613 SRPJJCSEIMRFOX-SFHVURJKSA-N 443.499 5.334 30 10 IKEE C=CCOc1c(Br)cc(C=CC(=O)c2ccc(OC)c(Cl)c2)cc1OC 2324623050 XQAFSJXAPNVLPR-UHFFFAOYSA-N 437.717 5.581 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1OC(=O)CC1CCCCC1 2325708092 OPWUXLVJQZTPDW-UHFFFAOYSA-N 447.358 6.774 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(Cl)c(Cl)c2)c1)c1ccc([N+](=O)[O-])cc1 2325722089 HDQBVDMFKCCSTG-UHFFFAOYSA-N 442.254 6.017 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)c2)c(C)c1 2325736281 UNJHPYHBOBOYDD-JOCHJYFZSA-N 442.555 6.696 30 10 IKEE CCc1ccc(C(=O)Oc2cc(C=CC(=O)c3ccc4c(c3)OCCO4)ccc2OC)cc1 2325745091 ZKGHEAWXZMNSKN-UHFFFAOYSA-N 444.483 5.144 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(OC(=O)c2ccc(F)cc2)c1 2325752473 BTZHHECFIWVCEX-UHFFFAOYSA-N 432.491 6.247 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1OC(=O)c1ccc(Cl)cc1 2325756423 IWOQONIIVVXLSF-UHFFFAOYSA-N 448.946 6.698 30 10 IKEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C12CCCC2 2326274997 PIVLZSHPRRKLLP-SANMLTNESA-N 442.600 5.232 30 10 IKEE CSc1nnc(CCc2ccccc2Cl)n1N=Cc1cccc(Br)c1 2327915565 UMJFSHIRLHAEMB-UHFFFAOYSA-N 435.778 5.083 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(COc2ccc(C)cc2C)nnc1SC 2328871420 ALDYAYMNQIAZSS-UHFFFAOYSA-N 432.549 5.240 30 10 IKEE Cc1ccsc1C=Nn1c(SCc2ccccc2F)nnc1-c1ccccc1Cl 2329607640 LDLCJMAARKEONW-UHFFFAOYSA-N 442.972 6.282 30 10 IKEE CCOc1cccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2C)c1 2330458632 QUQHUQVACQEAOY-UHFFFAOYSA-N 442.588 5.751 30 10 IKEE COc1ccc(OC)c(C=Nn2c(SCc3cccc(F)c3)nnc2-c2ccccc2)c1 2330651439 AAODNWMBRLKTCF-UHFFFAOYSA-N 448.523 5.276 30 10 IKEE CCCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccccc2Cl)cc1Cl 2330920418 SEUZUYKSLPMFJA-UHFFFAOYSA-N 433.375 7.546 30 10 IKEE CCCOc1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2C2CCCC2)cc1 2331046364 JRRICUUNEMYWEC-UHFFFAOYSA-N 434.609 6.207 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(C(F)(F)F)cc2)cc1)c1cccc(Cl)c1 2331117651 SJAKNGBTKHABCA-UHFFFAOYSA-N 430.809 6.474 30 10 IKEE C[C@@H](C(=O)Oc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-])c1ccccc1 2331129102 KIOZHPAEXKJFEB-MRXNPFEDSA-N 435.863 5.853 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2-c2ccco2)cc1 2331208418 HLQLSNPMDGHTSC-UHFFFAOYSA-N 432.549 5.728 30 10 IKEE Fc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2-c2ccco2)cc1 2331216428 OLHPJJKLKPAAAG-UHFFFAOYSA-N 428.492 6.005 30 10 IKEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)[C@H](C)c3ccccc3)c([N+](=O)[O-])c2)ccc1F 2331339943 KLVMGNJPHJVKAC-QGZVFWFLSA-N 433.435 5.648 30 10 IKEE COc1ccc(OC)c(C=Nn2c(SCc3cccc(Cl)c3)nnc2C(C)(C)C)c1 2331410956 WKOVLKXMWJHQOM-UHFFFAOYSA-N 444.988 5.421 30 10 IKEE Cc1ccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C2CCC2)cc1 2331543409 NYAXPTQMGWRNDL-UHFFFAOYSA-N 431.392 6.335 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1cc(Cl)ccc1O 2331659066 SEEPLPVKJYHXKB-UHFFFAOYSA-N 436.968 5.917 30 10 IKEE CCCCC(=O)Oc1c(OC)cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc1OC 2331741567 BPKAARYGXIHEEW-UHFFFAOYSA-N 446.927 5.666 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3c(C)cc(C)cc3C)cc2)cc1 2331762699 FMYSZHHXMYHLKS-UHFFFAOYSA-N 428.528 6.055 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)cc(OC)c1OC(=O)C1CCCC1 2331859896 DAQSRGKBKGAWME-UHFFFAOYSA-N 449.330 6.002 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@@H](O)C#Cc2ccccc2Br)c(Cl)c1 2335920463 ICOVXOPEZYXUPV-SFHVURJKSA-N 436.733 5.535 30 10 IKEE C[C@@H]1CCN(Cc2ccccc2)C[C@H]1Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339574605 KIOJYSXRLYFELY-FAXZBDKVSA-N 433.405 5.049 30 10 IKEE Cc1[nH]c2ccccc2c1/C=N/n1c(-c2ccc(OC(F)F)cc2)cs/c1=N\C1CC1 14359927 ILXJSESKBLJVHZ-OIAVCOOFSA-N 438.503 5.553 30 10 IKEE Cc1ccc(Cl)cc1/N=C(/NCCc1c[nH]c2ccccc12)NC(=O)c1cccs1 32943247 WIIWMTNHWABBJH-UHFFFAOYSA-N 436.968 5.441 30 10 IKEE CCn1nc(C)c(CN/C(=N/C(=O)c2cccc(F)c2)Nc2ccc(Cl)cc2C)c1C 32972115 PIZDEQXNLRFMJD-UHFFFAOYSA-N 441.938 5.019 30 10 IKEE CCOc1c(Br)cc(/C=C2/S/C(=N/c3ccccc3C)NC2=O)cc1OC 33713495 BCTYUNKGZWFLNH-GZTJUZNOSA-N 447.354 5.056 30 10 IKEE CCOc1ccc(/N=C2/NC(=O)S/C2=C\c2ccc3noc(-c4ccccc4)c3c2)cc1 35515927 MPJUQVQOGMWWRE-JCMHNJIXSA-N 441.512 6.421 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc(C(C)(C)C)cc3)ccc2C1=O 39753824 SUDZWMJMOPRIQD-XYGWBWBKSA-N 442.511 6.218 30 10 IKEE CC/C(C)=N/Nc1nc2cc(C)c(NC(=O)COc3ccc(Cl)c(C)c3)c(C)c2s1 78400649 KBIYHEUMJCNKTA-VULFUBBASA-N 444.988 6.090 30 10 IKEE CCCCCCCCCCCCCCCCNCC(=O)Nc1ccc(OC)c(Cl)c1 100055656 FZUMOOYTGPTQEV-UHFFFAOYSA-N 439.084 7.358 30 10 IKEE CCCCCCCCn1c([C@@H]2CC(=O)N(c3cccc4ccccc34)C2)nc2ccccc21 101042096 YCDRVPIHMFHIDW-HSZRJFAPSA-N 439.603 7.071 30 10 IKEE CCCCCCCCCn1c([C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)nc2ccccc21 102103822 CGTKLBXINAILRR-VWNXMTODSA-N 431.624 6.864 30 10 IKEE CC(C)COc1c(Cl)cc(/C=N\n2c(S)nnc2Cc2ccccc2)cc1Cl 169911716 OSJXVKMFSFDLFH-KSEXSDGBSA-N 435.380 5.381 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccc(OC)c2)cc1 169929329 FDJNLCUJSMMQTJ-QHCPKHFHSA-N 431.463 5.180 30 10 IKEE COc1cccc(-c2csc(N/N=C\c3cccc(OCc4ccc(Cl)cc4)c3)n2)c1 169939960 XUFGURXOTHUYEF-WGARJPEWSA-N 449.963 6.497 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3ccc(F)cc3)cs2)cc(Cl)c1OCC(C)C 169940193 LXGJCNUOHJYLRO-GATIEOLUSA-N 447.963 6.482 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(C)c2)cc1 169969389 WPCYRQCREAAFJU-HSZRJFAPSA-N 431.463 5.316 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2OC)[C@@H]1c1cccc(C)c1 169970573 FLYQYBBBKUIGRU-XMMPIXPASA-N 443.499 5.104 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2c2cccc(C)c2)cc1 170028246 ITEPAYLHEXXPQA-VWLOTQADSA-N 441.527 5.739 30 10 IKEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccccc2)cc1 170055571 TVRPUHLPWKRNQZ-RUZDIDTESA-N 441.527 5.481 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccccc2C)c1 170087115 NPDKCLNEMMBSTR-RUZDIDTESA-N 440.543 5.461 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1c1ccc(F)c(F)c1 170088137 VINBHDQPZALMBC-OAQYLSRUSA-N 439.845 5.710 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccco1)c1ccc(Cl)cc1 170093945 XNJPETMDRAFWOO-SFHVURJKSA-N 447.796 5.735 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2ccccc2O)c1 170141427 HYYBRFVWYJRDQZ-VWLOTQADSA-N 435.479 5.637 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@H]1c1ccc(OCCC)cc1 170215455 CGXJTTWKZQAGKE-XMMPIXPASA-N 449.547 5.179 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccccc2)cc1Cl 170225161 NHVOJSNRNXWPBT-HSZRJFAPSA-N 447.918 5.748 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc(O)c1)c1ccc(Cl)c(Cl)c1 170260646 DIVHIYNKNNZSQX-LJQANCHMSA-N 444.270 5.071 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(CC)cc1 170268363 KQGMTRHFIVFLNJ-RUZDIDTESA-N 427.544 6.171 30 10 IKEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1C 170277829 XPIHAEQJJHIPGP-VWLOTQADSA-N 442.559 5.068 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc(OCC(C)C)cc3)[C@@H]2c2ccco2)c1 170285670 HJBKPFGJPHMXIQ-DEOSSOPVSA-N 445.515 5.714 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@H]1c1ccco1 170289318 IYJVSHXVSUJUDW-QFIPXVFZSA-N 431.488 5.305 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2c(C)[nH]c3ccccc23)cc1 170312281 ZBDQAZMCEXCQMZ-QHCPKHFHSA-N 432.520 5.253 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2sccc2C)c1 170314318 KMEJSVNVWHGBFE-QFIPXVFZSA-N 447.556 5.935 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCO4)[C@H]2c2ccc(Cl)cc2)cc1 170374918 GNXVRBXXXKPEEA-QFIPXVFZSA-N 447.874 5.160 30 10 IKEE CCN(CC)c1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2ccc(OC)cc2)cc1 170426536 CLBIJEOQBUGQTB-QFIPXVFZSA-N 436.552 5.057 30 10 IKEE CCCCCCCC1=C(F)[C@](F)(c2cc(CCCCC)ccc2-c2ccccc2)CC=C1 198866501 RZTSCMBXCPGSJP-SSEXGKCCSA-N 436.630 9.795 30 10 IKEE CCc1ccc(CN(Cc2cccnc2)C(=O)/C=C\c2cn(CCC#N)c3ccccc23)cc1 212990664 UAYZGADSGBXJPS-PFONDFGASA-N 448.570 5.755 30 10 IKEE N#Cc1ccc(-c2ccc(OCC(=O)Nc3ccc(N=Nc4ccccc4)cc3)cc2)cc1 256020128 ATNPITXHIWQKIB-UHFFFAOYSA-N 432.483 6.658 30 10 IKEE COc1ccc(NC(=S)NN=Cc2c(-c3ccccc3)n(C)c3ccccc23)cc1OC 263632476 IHRDWDAMZVMKHU-UHFFFAOYSA-N 444.560 5.183 30 10 IKEE CCCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccc(O)c2)c1 526487686 FQPLEBAMEHVZPN-RUZDIDTESA-N 440.499 5.500 30 10 IKEE Cc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccc(C)cc2C)cc1 526812443 VQNZGCKALHWBQT-PKAZHMFMSA-N 426.589 5.969 30 10 IKEE CCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1cccc(Br)c1 526819411 VSSFYVUCIPUUJG-UUYOSTAYSA-N 429.387 5.394 30 10 IKEE C=CCN(CCOc1ccc(Cl)cc1)S(=O)(=O)c1ccc(CCCCCC)cc1 586179811 IUNQAACQEAOPIT-UHFFFAOYSA-N 436.017 5.719 30 10 IKEE N#Cc1cccc(NC(=O)Nc2ccc(C(=O)Nc3ccc(N4CCCCC4)cc3)cc2)c1 586722056 KTQSKNPABPVEKR-UHFFFAOYSA-N 439.519 5.445 30 10 IKEE CCCN1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Br)CC1 698453362 FITXJKIFRHJSIW-OAQYLSRUSA-N 436.394 5.349 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2cc(F)cc(Br)c2)cc1 698979032 MGZCNKADGWPNSC-SFHVURJKSA-N 435.293 5.603 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)c(F)c1F)NCCC 701318238 KNIACCHTBXSYQR-HOTGVXAUSA-N 447.364 5.107 30 10 IKEE CC(C)CN(C(=O)OC(C)(C)C)[C@]1(C#N)[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C1(C)C 703311547 KUCRNZDMTWYXGB-NXMSCROESA-N 435.609 5.197 30 10 IKEE COc1ccc(C=Nc2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1[N+](=O)[O-] 1083873424 QYWPFDVXVHNYRX-UHFFFAOYSA-N 435.505 5.547 30 10 IKEE CC1(C)CC(=O)[C-]([C@@H](C2=C(O)CC(C)(C)CC2=O)c2ccc(C(F)(F)F)cc2)C(=O)C1 1615164773 KUPMLNWPHGLBBR-LJQANCHMSA-N 435.462 5.523 30 10 IKEE C/C(=C1/SC(=Nc2ccncc2Cl)N(c2ccccc2)C1=O)c1ccc(C)c(C)c1 1772734427 DIOPCPDBUWLWHK-NHEADELISA-N 433.964 6.551 30 10 IKEE COC(=O)c1ccc(/C=C2\SC(=Nc3nc(C)cs3)N(c3ccccc3)C2=O)cc1 1772740200 WRRMHILDJGSHSS-IWNQXXOGSA-N 435.530 5.047 30 10 IKEE O=C(ON1C(=O)c2ccccc2C1=O)c1ccc(SC2CCCC2)c(C(F)(F)F)c1 1772789641 CLRIPHKPISENBQ-UHFFFAOYSA-N 435.423 5.108 30 10 IKEE O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(-c2ccccc2F)s1 1859710949 APJCGLUHWMKCAA-UHFFFAOYSA-N 434.336 6.239 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2F)cc1 1862391310 XOGSIXRXMMABPL-HSZRJFAPSA-N 433.479 5.540 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(Cl)cc1Cl 1862416631 QRQMQMDBRWDGLX-MLCYQJTMSA-N 440.273 5.648 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccc(F)cc1F)c1ccc(F)cc1F 1862417597 VFAMUDPWCFXUQH-OAQYLSRUSA-N 447.428 5.544 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1cccc(O)c1)c1ccccc1Cl 1862430746 QURMYXUYGPGORI-NRFANRHFSA-N 425.912 5.347 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@H]1c1ccc(O)cc1)c1cccc(Cl)c1 1862443845 UNJFHOFOENPROW-QFIPXVFZSA-N 439.939 5.737 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc(Cl)c2)cc1 1862476628 MQOWOULGSLTZST-HSZRJFAPSA-N 431.919 5.735 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2cccc(C)c2)cc1 1862490562 YVFOMAWLNFIQFX-AREMUKBSSA-N 439.555 5.741 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2cccc(F)c2)ccc1F 1862502236 UUQXHXXLTLRTSP-JEWAVWJGSA-N 425.475 5.430 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccc(F)cc2)ccc1F 1862502368 YANYALLQNOPNBY-QMHKHESXSA-N 433.454 5.613 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccccc1C 1862508210 YVQOZTBIAPGTTJ-DEOSSOPVSA-N 437.555 6.381 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862535461 ZVNGXWQIRFXDCP-HGMMTPDKSA-N 442.559 5.887 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(C(C)C)cc1 1862546521 ZEJNNEXXBVHMKC-VWLOTQADSA-N 431.576 5.923 30 10 IKEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CC)cc1 1862554222 XYPPULOFDNWNSG-DEOSSOPVSA-N 433.548 5.343 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1cccc(Cl)c1 1862616648 CTPXQMLHFBXMRQ-YCRPNKLZSA-N 425.956 6.014 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(Cl)c(Cl)c1 1862659233 ZYGYFHPISPDGHV-OAQYLSRUSA-N 438.310 5.911 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCCc2ccccc2)[C@@H]1c1ccc(O)cc1)c1ccc(F)cc1 1862673089 BWYWKFRZEARMQY-XMMPIXPASA-N 445.490 5.133 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1 1862675248 FTNYSBWOPHFOAB-IFMALSPDSA-N 443.946 6.416 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(OCCCC)cc1 1862679598 HNPMMPBGQAUROC-HSZRJFAPSA-N 439.527 5.773 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862688696 YYDCQBSUKTURIV-RUZDIDTESA-N 441.527 5.345 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccccc1F 1862702489 DMQADOMAHPZJGG-QHCPKHFHSA-N 439.527 5.773 30 10 IKEE N#Cc1cccc(NC2=C(c3cccc4ccccc34)C(=O)N(c3ccccc3F)C2=O)c1 1862841982 PRQPQHULPZQHTG-UHFFFAOYSA-N 433.442 5.247 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccccc3Cl)C2=O)c(C)c1 1863075925 XTLNHXNVLNUMPC-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CCCOc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 1863344771 GPHZUIUWHAECCN-FDDCHVKYSA-N 443.547 5.118 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCC(C)C)=C(c2cccc3ccccc23)C1=O 1863582799 AQJQGWCENZOQOY-UHFFFAOYSA-N 434.624 6.306 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCC)=C(c2cc(Cl)ccc2Cl)C1=O 1863727690 ZYBDYPANWTXXPE-UHFFFAOYSA-N 425.400 5.824 30 10 IKEE CCC[C@H](NC(=O)[C@H](c1ccc(Cl)cc1)C1CCCC1)C(=O)Nc1ccc(C#N)cc1 1867005153 KBSQPDPSGJOXRS-GOTSBHOMSA-N 437.971 5.409 30 10 IKEE C=CCN(CC=C)c1cc(N(C2CCCCC2)C2CCCCC2)nc(-c2ccc(F)cc2)n1 1867985631 FEAUQOGHBWWBQR-UHFFFAOYSA-N 448.630 6.933 30 10 IKEE CCCCCCCCCCNC(=O)C[C@H](c1ccccc1)c1ccc(Br)cc1 1868197350 WFMIJPFIBPYBRZ-XMMPIXPASA-N 444.457 7.228 30 10 IKEE C=CCn1cc(OCC2CCCCC2)c(=O)cc1CSCCc1nc2ccccc2[nH]1 1870275916 KCZXRUYSGRBDGG-UHFFFAOYSA-N 437.609 5.346 30 10 IKEE CCCCCCCCn1cc(OCCCCC)c(=O)cc1CN1CCC(N(C)C)CC1 1870677521 INIBPWYDUQLPBZ-UHFFFAOYSA-N 433.681 5.304 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCCc2ccccc2)cn1Cc1ccccc1C 1870690520 KWBNCMDKCBBCNQ-UHFFFAOYSA-N 428.576 5.001 30 10 IKEE C=CCOc1cn(CC=C)c(CNc2ccc(OCc3ccc(Cl)cc3)cc2)cc1=O 1870809369 ZFYPGJOAAGTFCA-UHFFFAOYSA-N 436.939 5.444 30 10 IKEE CCCCCCCOc1cn(CCCCCCO)c(CNc2cc(C)ccc2C)cc1=O 1870839143 MQVDMAGGCUQYRX-UHFFFAOYSA-N 442.644 5.979 30 10 IKEE Cc1cc(C)cc(OCCN2COc3ccc4c(c3C2)O/C(=C\c2ccccc2C)C4=O)c1 1871347265 KTTPMJVPVKWQSG-YSMPRRRNSA-N 441.527 5.459 30 10 IKEE CCN(CC)CCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(Cl)c(Cl)c1)C3=O 1871351227 QOSNGZWZACOAIO-MTJSOVHGSA-N 447.362 5.103 30 10 IKEE Cc1ccc(C)c(CN2COc3c(cc4c(c3C)O/C(=C\c3ccc(Cl)cc3)C4=O)C2)c1 1871355268 ASBZZAYHWXQXCU-MYKKPKGFSA-N 445.946 6.234 30 10 IKEE Cc1cc(OC(=O)/C=C/c2ccco2)cc2c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O2 1871369793 YVQRWYVTJVPIHO-YFHATWHHSA-N 428.484 6.121 30 10 IKEE CCOc1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccn2)C3=O)cc1 1871379387 FLPCDNQVGITOMJ-GSNARSAFSA-N 427.456 5.024 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(Cl)c2)C3=O)c1 1871387962 QYMBXAXCGPLFGK-UCQKPKSFSA-N 448.902 6.273 30 10 IKEE Cc1cc(C)c(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2)C3=O)c(C)c1 1871402913 PJDZGMWNYCKMRJ-CFKHXJFWSA-N 441.527 5.942 30 10 IKEE C=CCN(CC=C)c1nc(=NCCC(C)C)nc(Nc2ccc(Oc3ccccc3)cc2)[nH]1 1871508784 MNFRQHZUONFQQG-UHFFFAOYSA-N 444.583 5.466 30 10 IKEE C=CCN([C@@H](C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)c1ccccc1)S(C)(=O)=O 1872338098 HKYDPLREMMNFFV-HSZRJFAPSA-N 428.598 5.061 30 10 IKEE C=C(C)CN([C@H](C(=O)Nc1cccc(C)c1C)C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1872503147 RSOZCWBWNWJNQS-QFIPXVFZSA-N 449.016 5.187 30 10 IKEE N#C[C@@H](C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872760249 KQKKIZFAPOEVSS-KRWDZBQOSA-N 437.908 5.741 30 10 IKEE Cc1cc(CC(=O)[C@@H](C#N)c2nc(-c3cccc(Br)c3)cs2)ccc1F 1872764323 KCAMNMZJCUVTEC-MRXNPFEDSA-N 429.314 5.439 30 10 IKEE COc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)c2cccc(NC(C)=O)c2)n1 1872776915 AOUVKHKFMGPSBE-FQEVSTJZSA-N 447.560 5.565 30 10 IKEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)c3ccc(C(C)(C)C)cc3)n2)cc1C(C)C 1872779235 FHWMHFXWRPINNV-JOCHJYFZSA-N 446.616 7.038 30 10 IKEE Cc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1C 1872779528 LSEIEZRYMLQFSR-XMMPIXPASA-N 438.552 6.638 30 10 IKEE COc1ccc(Cl)cc1-c1csc([C@H](C#N)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 1872788704 OOWKYQXXZXZAKE-CYBMUJFWSA-N 448.287 5.524 30 10 IKEE CCCCCCCCCCN1C[C@@H](C(=O)N(Cc2ccco2)Cc2ccco2)CC1=O 1872962933 ARGIVPKCDXODEH-NRFANRHFSA-N 428.573 5.391 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCCCCCC)=C(c2cccnc2)C1=O 1873079420 LURJFSWNOBUQAF-UHFFFAOYSA-N 441.660 6.252 30 10 IKEE CCCCCCCCNC1=C(c2ccc(OC)cc2)C(=O)N([C@@H]2CCCC[C@@H]2C)C1=O 1873143120 WENJIQMESKBMLY-SIKLNZKXSA-N 426.601 5.304 30 10 IKEE C=CCn1c(C(=O)Nc2ccccc2CC)cc2c(NCc3ccccc3Cl)ncnc21 1873605979 CVYYUOKFZWMGIM-UHFFFAOYSA-N 445.954 5.698 30 10 IKEE CCCCCCCCCCNC(=O)c1cc(-c2cccnc2)nc2ccc(C(C)C)cc12 1873935773 ZCCDCXBBPPIMGQ-UHFFFAOYSA-N 431.624 7.291 30 10 IKEE CCc1ccc(OCCCc2nnc(SC)n2/N=C/c2ccc(C(C)(C)C)cc2)cc1 1874223299 DNZIGAAQWMVUCK-NLRVBDNBSA-N 436.625 5.754 30 10 IKEE C=C(C)CSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1cccc(OC)c1 1874231789 AYXPZPGRDRFAKQ-WPWMEQJKSA-N 442.588 5.776 30 10 IKEE CCCSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1ccc(OCC)cc1 1874253401 ANDDGRHMRNYPOF-XIEYBQDHSA-N 438.597 5.381 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCOc3ccccc3)n2/N=C/c2cccnc2)c1 1874346373 LXKKXYKDBGFAFG-WPWMEQJKSA-N 443.576 5.086 30 10 IKEE CCc1ccc(/C=N/n2c(CCc3cccs3)nnc2SCc2ccccc2)cc1 1874371495 CFCLRZDLYCMVIZ-KOEQRZSOSA-N 432.618 5.862 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccccc3)n2/N=C/c2cc(C)ccc2O)cc1 1874382190 CNMPOMMUMDLNDA-CVKSISIWSA-N 444.560 5.354 30 10 IKEE Cc1cccc(CSc2nnc([C@@H](C)c3ccccc3)n2/N=C/c2ccccc2Cl)c1 1874394445 MQSDVXLJTANNMA-FQNOVECQSA-N 447.007 6.566 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccccn1 1874399802 WQJFAMRMGGRCOR-CJHIPLPSSA-N 449.583 6.153 30 10 IKEE O=[N+]([O-])c1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2C2CCCC2)cc1 1874454116 BBDPMWJIOFJCNY-YDZHTSKRSA-N 425.489 5.158 30 10 IKEE C=C(C)CSc1nnc(C(F)(F)F)n1/N=C/c1ccc(OCCCCC)c(OC)c1 1874459821 BNVCNGARYIPLTA-WYMPLXKRSA-N 442.507 5.425 30 10 IKEE CCCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1cc(OC)ccc1OC 1874480038 FMOUGRKLBWPHHR-ZVHZXABRSA-N 444.988 5.466 30 10 IKEE Cc1cccc(/C=N/n2c(CC(C)C)nnc2SCC(=O)Nc2cccc(C)c2C)c1 1874488707 FUIXVTRZWHHYEP-AFUMVMLFSA-N 435.597 5.015 30 10 IKEE CC(C)Cc1nnc(SCc2cccc(F)c2)n1/N=C/c1cccc(Br)c1 1874489265 JCYJQVVYXIIXPB-FSJBWODESA-N 447.377 5.553 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2C2CC2)cc1OCC 1874518417 SBKHWEVGEMIUBZ-AFUMVMLFSA-N 440.544 5.267 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc(C(C)C)cc1 1874527770 DUPYNLRKOUNLSX-WYMPLXKRSA-N 433.408 6.445 30 10 IKEE C=C(C)COc1c(/C=C/C(=O)c2ccc(OCCC)cc2)cc(Br)cc1OC 1874579840 LDSOHTZDQOWZTK-DHZHZOJOSA-N 445.353 6.098 30 10 IKEE CCCNC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(OC)c(C)c1C 1874586399 LTRNRIOQIJTHAU-ACCUITESSA-N 431.532 5.266 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2ccccc2OCc2ccc(Cl)cc2)cc1Cl 1874588135 BRIGTSRZTUPQHD-FMIVXFBMSA-N 443.326 6.486 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)cc1 1874606442 NWGYTUPBLPFZCE-QGOAFFKASA-N 427.544 6.251 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc3ccccc23)c(Cl)c1)c1ccc(F)cc1F 1874611908 UWTQPZRYSNEIIL-XYOKQWHBSA-N 434.869 7.247 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OCc1c(Cl)cccc1Cl 1874613297 NGCGOTWYRYSYKB-CSKARUKUSA-N 447.745 7.131 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OCc2ccc(C)cc2)c(Cl)c1 1874634594 KGDMDKJSFIQYPT-CSKARUKUSA-N 441.354 7.094 30 10 IKEE O=C(Cc1ccccc1F)Oc1cccc(/C=C/C(=O)c2cccc(Br)c2)c1 1874698086 VHEUNYWTESZXGH-VAWYXSNFSA-N 439.280 5.632 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2)cc1OC(=O)c1ccc([N+](=O)[O-])cc1Cl 1874700258 IYRJZSMOQDKPCZ-YRNVUSSQSA-N 437.835 5.372 30 10 IKEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(OCC(C)C)cc3)c2)c(C)c1 1874702547 WOHYXQDTVKUFAO-OQLLNIDSSA-N 428.528 6.454 30 10 IKEE COc1cc(Br)c(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OC(=O)C1CC1 1874708080 LLNRINYUISJZCA-ZHACJKMWSA-N 443.337 5.793 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(/C=C/C(=O)c3c(C)cc(C)cc3C)ccc2OC)c1 1874716175 FRRRIDFIBHJRIY-ZRDIBKRKSA-N 444.527 6.134 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)cc1 1875100141 QBQXCUFZULXKBC-KPKJPENVSA-N 446.415 5.181 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCOc3ccccc3)cc2)cc1C 1875107339 LBMMJERIYJWSAX-FOWTUZBSSA-N 430.500 5.664 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3F)cc2OC)cc1 1875121984 CBKIKGJRMDLVGD-VZUCSPMQSA-N 438.426 5.026 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1)c1cccc(Cl)c1 1875123160 DHFHOLORBGJEOZ-IZZDOVSWSA-N 442.254 6.017 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3OC)c(Cl)c2)cc1F 1875153211 WFFPEPWXSKNQAE-JXMROGBWSA-N 440.854 5.612 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1cccc(OC)c1 1875164069 QXKBBDCJKOYWGX-YRNVUSSQSA-N 438.426 5.487 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)C(C)(C)C)c([N+](=O)[O-])c1 1875181300 YGMGPBOPIRBDEG-SOFGYWHQSA-N 431.872 5.413 30 10 IKEE Cc1ccc(Nc2nc(C)cc(Nc3ccc(NC(=O)Nc4ccc(C#N)cc4)cc3)n2)cc1 1892025559 XPTPQGFRSWZXKO-UHFFFAOYSA-N 449.518 6.096 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](CCC(C)(C)C)NC(=O)OC(C)(C)C 1922067876 FFKBVKHEMWTIJQ-GOTSBHOMSA-N 432.649 5.847 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C1(NC(=O)OC(C)(C)C)CC2(CCC2)C1 1922116522 RCOCECFHQKZBMR-QFIPXVFZSA-N 428.617 5.355 30 10 IKEE CN(CCN(Cc1ccccc1)c1cc(Br)ccc1C#N)Cc1ccccc1 1932080158 ACLZGQXNCZDQQR-UHFFFAOYSA-N 434.381 5.459 30 10 IKEE CC(C)(C)OC(=O)NC1CCC([C@](C)(C#N)N(C(=O)OC(C)(C)C)C2CCCC2)CC1 1940970774 LWIKRHJQSRJPBP-XCNDVJPKSA-N 435.609 5.532 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@H]1C[C@@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 2001938289 JVGYJDPGKIERTO-CYFREDJKSA-N 435.609 5.628 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)[C@@H]2C[C@@H]21 2008450358 ZPFNNIBGWLZAPF-IEGUWTFLSA-N 447.963 5.373 30 10 IKEE CCCCCCCCCNC[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1 2026327003 RZUPOEPNWMQEDM-DEOSSOPVSA-N 431.665 5.448 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@](C)(C#N)[C@H]1CCCSC1 2029445228 ZPRIQKKCQUTTNH-IFXJQAMLSA-N 425.392 5.616 30 10 IKEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC[C@@]2(C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 2032047167 ZBZNOPKAXZSABW-WVCKHHOPSA-N 445.535 5.106 30 10 IKEE C[C@@H](N(Cc1ccccc1)Cc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2034765402 WMFQZCDUFHSAAA-LJQANCHMSA-N 425.397 5.562 30 10 IKEE Cc1cc(C)c([C@@H](n2nc(C3CC3)c(C#N)c2I)C2(C)CC2)cc1C 2078983541 GNWXBAYOWZNIDG-LJQANCHMSA-N 445.348 5.552 30 10 IKEE CC1(c2nn(Cc3ccc(F)c(C(F)(F)F)c3)c(Br)c2C(F)(F)F)CC1 2079827515 QAWLTLHPCXRFAD-UHFFFAOYSA-N 445.176 5.922 30 10 IKEE C[C@@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C2(C)CC2)c(C=NO)c1Br 2080011476 AJHQQRBYYJRQCQ-VIFPVBQESA-N 434.231 5.272 30 10 IKEE CCCOc1ccc([C@@H](C2CCC2)n2nc(C(C)C)c(C=NO)c2Br)cc1 2080055873 LROQLRWKUJBSGA-HXUWFJFHSA-N 434.378 5.755 30 10 IKEE CCOc1ccc([C@H](C(C)C)n2nc(C(C)C)c(C#N)c2I)cc1 2080089156 UVOXKTGQBJBONH-SFHVURJKSA-N 437.325 5.127 30 10 IKEE C#CCN(C[C@H](NCCC)c1c(Cl)ccc(Br)c1F)C(=O)OC(C)(C)C 2122144008 WYKIFTHZKKHOBD-HNNXBMFYSA-N 447.776 5.153 30 10 IKEE COc1ccc(NC(=O)OC(C)(C)C)c(Nc2ccc(C#N)c(Br)c2F)c1 2162351410 BFJWIOTZRNNQMN-UHFFFAOYSA-N 436.281 5.559 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)cc(C)cc1Br 2173461458 MPYXUXKNXCYOIZ-IEBWSBKVSA-N 441.385 5.244 30 10 IKEE CC(C)(C)OC(=O)N1CCCC[C@@H]1CN(c1cc(Br)ccc1C#N)C1CC1 2174810049 HQOJZEOFKVFTLC-GOSISDBHSA-N 434.378 5.079 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(F)cc1C(=O)Nc1ccc(C#N)cc1Br 2181132072 BYNZYUFAJFOMQY-UHFFFAOYSA-N 434.265 5.059 30 10 IKEE CCCCC#CC[C@@H](NCCC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2203808990 BOWMONNUUQLFKA-LJQANCHMSA-N 437.422 6.421 30 10 IKEE C=CCCCCCCC[C@@H](NC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2214624617 UVSVFNVSILFHEL-QPTUXGOLSA-N 432.649 5.990 30 10 IKEE C=CCN(C[C@H](NCCC)c1sc(C)c(Br)c1C)C(=O)OC(C)(C)C 2218932342 XTWKJEDYPPWQKK-HNNXBMFYSA-N 431.440 5.591 30 10 IKEE CCCN[C@@H](C#Cc1cccc(OC)c1)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 2221911956 FTZJFPADWDRONW-DEOSSOPVSA-N 436.596 5.242 30 10 IKEE N[C@H](C#Cc1ccccc1Br)c1ccc(Br)c(Br)c1 2227463749 PLDCCHOOFOQYFO-OAHLLOKOSA-N 443.964 5.026 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc([C@H](N)C#Cc2ccccc2Br)cc1Cl 2227496482 SWVOAGIPZIISNX-QGZVFWFLSA-N 435.749 5.501 30 10 IKEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Cl)c(Cl)c(Cl)c1 2232513966 SLPWTFFLNKANHV-AEFFLSMTSA-N 433.807 5.994 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)[C@H](CC(C)C)NC(=O)OC(C)(C)C 2235718352 LNWGXJCQFANCCP-UXHICEINSA-N 437.422 5.108 30 10 IKEE CC(C)(C)OC(=O)Nc1c(Cl)cc([C@@H](O)C#Cc2cccc(Cl)c2)cc1Cl 2239459957 ATNMRDQZRYLRHY-KRWDZBQOSA-N 426.727 6.079 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CCC[C@H](C1)[C@@H]2Nc1ccc(Br)cc1C#N 2285778107 ULTDPKPVNPVEAJ-ULZXJZRSSA-N 434.378 5.205 30 10 IKEE CCC1CCC(NC(=O)OC(C)(C)C)([C@H](O)C#Cc2cccc(Br)c2)CC1 2296226161 CLQBJEHMXVXYKY-COFLGROHSA-N 436.390 5.025 30 10 IKEE CN[C@H](C#Cc1ccc(Br)cc1)c1cc(NC(=O)OC(C)(C)C)ccc1F 2296309340 UOPQAUHMZXRAOB-LJQANCHMSA-N 433.321 5.247 30 10 IKEE COc1ccc2ccccc2c1C=C1SC(=Nc2ccccc2)N(C2CCCCC2)C1=O 2297305279 RTFKJFICWLAVQA-UHFFFAOYSA-N 442.584 6.785 30 10 IKEE CC1CCN(C(=Nc2sc(-c3ccccc3)nc2-c2ccccc2)c2ccccc2)CC1 2297748608 KWEKUHLPPXXPCO-UHFFFAOYSA-N 437.612 7.287 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc3C2=O)cc1 2314437016 ADNCYJADEJSTPG-UHFFFAOYSA-N 443.455 5.728 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccc(Cl)cc3Cl)nnc2C2CC2)cc1 2320909336 NTSGJOVPRDBDHE-UHFFFAOYSA-N 433.364 5.645 30 10 IKEE CN(C)c1ccc(C=C2Oc3cc(OCc4ccc(Cl)c(Cl)c4)ccc3C2=O)cc1 2321787355 OKFYQCHWJHTZLE-UHFFFAOYSA-N 440.326 6.255 30 10 IKEE COc1ccc(C=C2Oc3c(ccc4c3CN(C3CCCCCCC3)CO4)C2=O)c(OC)c1 2322177605 QHFUIYWCQDFOIJ-UHFFFAOYSA-N 449.547 5.585 30 10 IKEE CC(C)COC(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc2c(c1)CCCC2 2322335650 GPMPVOLNBWKOFQ-UHFFFAOYSA-N 426.940 5.693 30 10 IKEE O=C(C=Cc1cc(Br)ccc1OCc1ccccc1F)c1ccccc1Cl 2322433426 YWDWLQKITIQGMM-UHFFFAOYSA-N 445.715 6.717 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2ccc(C)cc2C)cc1 2322456891 LGBMGFWRDGBHMY-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE O=C(C=Cc1cc(Br)ccc1OCc1ccccc1Cl)c1ccccc1 2322542625 ZPDNIXSZILPUSJ-UHFFFAOYSA-N 427.725 6.578 30 10 IKEE COc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2OC(F)F)C3=O)c1 2322722985 RSQYYSLWMNKIKZ-UHFFFAOYSA-N 438.382 5.132 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1OCc1ccccc1Cl 2323260035 OTNOVHRVQGUKPE-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE C=CCOc1c(OC)ccc(C=CC(=O)c2cc(Cl)ccc2OC)c1Br 2323331962 FZVWFVQUUQLSOW-UHFFFAOYSA-N 437.717 5.581 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OCc1cccc(Cl)c1 2323409953 PEQHPVPITQGCRH-UHFFFAOYSA-N 428.915 6.977 30 10 IKEE COc1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1 2323423078 DGCGEFYHJZUOAI-UHFFFAOYSA-N 430.431 5.378 30 10 IKEE Cc1cc(OC(=O)c2cccc(OCC(C)C)c2)cc2c1C(=O)C(=Cc1cccc(F)c1)O2 2323580329 YDGIDVXWISZZLH-UHFFFAOYSA-N 446.474 6.004 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cccc(C)c3C)c(Cl)c2)cc1 2323628486 QLJNPOLMXFVWSK-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCCOc1cccc(C(=O)Oc2ccc3c(c2C)OC(=CC=Cc2ccccc2)C3=O)c1 2323839689 QDDUPESOLYGRAQ-UHFFFAOYSA-N 440.495 6.175 30 10 IKEE CCOc1c(Cl)cc(C=NNc2nc(-c3ccccc3)c(C(=O)OC)s2)cc1OC 2323840426 BIWAWORMRZIFHF-UHFFFAOYSA-N 445.928 5.103 30 10 IKEE O=C(COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1)Nc1ccccc1F 2323879645 PCXFCVSRQGDJAA-UHFFFAOYSA-N 444.289 6.046 30 10 IKEE CCCOC(=O)COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1Br 2323970476 CGZYREZVXRPDCF-UHFFFAOYSA-N 435.289 5.125 30 10 IKEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OCc1cccc(C)c1 2324077852 NDXMBSQBQYCMAL-UHFFFAOYSA-N 436.891 5.861 30 10 IKEE CC1CCN(Cc2c(O)ccc3c2OC(=Cc2ccc(-c4ccccc4)cc2)C3=O)CC1 2324151736 BEAKQUHEJYERMC-UHFFFAOYSA-N 425.528 5.907 30 10 IKEE COc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccc(C)cc4)ccc3C2=O)cc1 2324370348 RXYUVAROCBMGBU-KRWDZBQOSA-N 429.472 5.026 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3)c([N+](=O)[O-])c2)cc1C 2324451327 YFFYNBMHMJYFQJ-UHFFFAOYSA-N 430.460 5.125 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(C)c(C)c3)cc2[N+](=O)[O-])o1 2324451337 ZBBOGSVPLTWNAI-UHFFFAOYSA-N 449.459 5.456 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OCc1ccc(F)cc1 2324547670 POBKIUPOKMBHJE-UHFFFAOYSA-N 434.507 6.243 30 10 IKEE C=CCOc1c(Cl)cc(C=CC(=O)c2ccc(OC)c(OC)c2OC)cc1OCC 2324722259 PMOYOSOPCVBORG-UHFFFAOYSA-N 432.900 5.225 30 10 IKEE Oc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2cccc(Cl)c2)cc1 2325494321 IKERMQDFDPGNSX-UHFFFAOYSA-N 434.952 5.402 30 10 IKEE COc1ccc(CCOc2ccc3c(c2C)OC(=Cc2ccc(OC)c(OC)c2)C3=O)cc1 2325631391 BTFXEHYHBFEJSL-UHFFFAOYSA-N 446.499 5.259 30 10 IKEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(Cl)cc1Cl 2325642733 RSCITEJFAPHAKJ-UHFFFAOYSA-N 446.190 6.375 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)CCc3ccccc3OC)c2)cc1C 2325715018 PFDMWXQZHVSMQG-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE Cc1cc(OCC(=O)Nc2cccc(Cl)c2)cc2c1C(=O)C(=Cc1ccc(F)cc1)O2 2325717207 QASQHGCTPFNRKG-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OCC(=O)Nc3ccccc3Cl)c2C)C1=O 2325718268 NHZMBEUFSJQPEJ-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(Cl)c(Cl)c3)c2)cc1 2325719195 NDCOBMZCPZPZKE-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE O=C(C=Cc1cccc(OC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)c1)c1ccc([N+](=O)[O-])cc1 2325722677 BTSJDZIDFJVEDI-FGZHOGPDSA-N 447.874 5.853 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C)ccc2OC)cc1OC(=O)CCc1ccccc1 2325742798 WBBWQNPTYVVPHL-UHFFFAOYSA-N 430.500 5.447 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccc(-n3cccc3)cc2)c1)c1ccc(F)c(F)c1 2325753516 GIOYNPHRYRDITG-UHFFFAOYSA-N 429.422 5.871 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)Cc2ccc(C)cc2)c1 2325763894 ZVMWUXWWFJJPMX-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OC)c(O)c2Br)cc1 2325788755 SKFMIWFSUAVUHE-UHFFFAOYSA-N 447.369 6.409 30 10 IKEE CSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1cn(C)c2ccccc12 2325901266 AWGXZOUNJPTTST-UHFFFAOYSA-N 447.608 5.559 30 10 IKEE CCCOc1ccc(C=Nn2cnnc2SCc2ccccc2)cc1Br 2326208296 SWPBKSZLMDRFRM-UHFFFAOYSA-N 431.359 5.004 30 10 IKEE CCCc1nnc(SCc2cccc(F)c2)n1N=Cc1c(OCC)ccc2ccccc12 2326733748 LUCJSLKXFXEUGT-UHFFFAOYSA-N 448.567 6.096 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CCCOc2cccc(C)c2)nnc1SCC=C 2327016727 JRIGIOPVTOXUDF-UHFFFAOYSA-N 448.592 5.323 30 10 IKEE Cc1ccc(CSc2nnc(COc3c(C)cccc3C)n2N=Cc2ccncc2)cc1 2328545499 PMSAGJQRALOHPL-UHFFFAOYSA-N 443.576 5.352 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2)n1N=Cc1ccc(Cl)c(Cl)c1 2328754315 JXIDABSCWCILOI-UHFFFAOYSA-N 447.391 5.757 30 10 IKEE C=CCOc1ccccc1C=Nn1c(COc2ccc(C)c(C)c2)nnc1SCC=C 2328796776 JTEDNVVWAYLAJS-UHFFFAOYSA-N 434.565 5.199 30 10 IKEE Fc1ccc(C=Nn2c(Cc3cccs3)nnc2SCc2ccccc2F)c(F)c1 2330392161 KVBMGYJYEVRXHA-UHFFFAOYSA-N 444.507 5.522 30 10 IKEE CC(C)Oc1ccccc1C=Nn1c(SCCc2ccccc2)nnc1-c1cccs1 2330587447 COSVNKRHZQQMKU-UHFFFAOYSA-N 448.617 6.011 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccc(C(F)(F)F)cc2)cc1)c1cccc([N+](=O)[O-])c1 2330621829 CKDFLBGAEARBJV-UHFFFAOYSA-N 441.361 5.729 30 10 IKEE CCc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)[C@H](C)c3ccccc3)c(OC)c2)cc1 2330738578 CXCXOHAHJGKZBN-GOSISDBHSA-N 448.946 6.516 30 10 IKEE Cc1cccc(C=Nn2c(CC(C)(C)C)nnc2SCC(=O)Nc2ccc(C)c(C)c2)c1 2330807323 JSMZHKCWNOEHLD-UHFFFAOYSA-N 449.624 5.405 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(F)cc2)n1N=Cc1cccc([N+](=O)[O-])c1 2330812631 WDJGLWDSGNVPDE-UHFFFAOYSA-N 427.505 5.089 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cccc2ccccc12 2330867263 IBUSTTYMYKCDSO-UHFFFAOYSA-N 449.023 6.848 30 10 IKEE Cc1cccc(C=Nn2c(SCc3cccc4ccccc34)nnc2[C@H]2CCCO2)c1 2330976921 KDBHWMFPJVHQHM-HSZRJFAPSA-N 428.561 5.766 30 10 IKEE COc1ccc(OC)c(C=Nn2c(SCc3ccccc3C)nnc2C2CCCC2)c1 2331030166 CAEVCNIWKRJACY-UHFFFAOYSA-N 436.581 5.436 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OC(=O)CCc1ccccc1 2331173908 JQJKSUYUPZSBMQ-UHFFFAOYSA-N 434.919 6.173 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)[C@H]1C[C@H]1c1ccccc1Cl 2331180279 QQYQMYIUPKPIHE-VXKWHMMOSA-N 446.930 6.344 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)Cc1ccc(F)cc1 2331182790 NTPIZTBHRYEJKP-UHFFFAOYSA-N 430.475 5.607 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)CCc3ccccc3C)c([N+](=O)[O-])c2)cc1 2331276269 BGVWCVOIIFEXLY-UHFFFAOYSA-N 429.472 5.646 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OC(=O)CC(C)C 2331443392 IWZHLQNWXMIEIL-UHFFFAOYSA-N 430.884 5.315 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1ccc(Cl)cc1 2331569469 CIJNAJUMBFLUPD-UHFFFAOYSA-N 428.818 5.742 30 10 IKEE COCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1c(Cl)cccc1Cl 2331577803 UMBXTQJFQDUPDK-UHFFFAOYSA-N 435.380 5.523 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)c1cncc(C)c1 2331632330 AQFHVASLSBDXPB-UHFFFAOYSA-N 431.488 5.139 30 10 IKEE CCOc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C(C)C)cc1OC 2331703280 QLWWHJQBZMRODO-UHFFFAOYSA-N 444.988 5.637 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(=O)CCOC 2331770852 WKTUJUCDAWIROY-UHFFFAOYSA-N 430.928 5.502 30 10 IKEE COc1c(Cl)cc(C(=O)C=Cc2ccc(OC(=O)C3CC3)c([N+](=O)[O-])c2)cc1Cl 2331812479 GHQRQKZPDYNYQP-UHFFFAOYSA-N 436.247 5.122 30 10 IKEE CC[C@H](NC(=O)OC(C)(C)C)C(C)(C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339586215 BBVKLDHWHZFRNQ-SFHVURJKSA-N 446.397 5.187 30 10 IKEE CCCN[C@H](C#C[C@H]1CC1(F)F)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2366692396 VRSILCCBEMZJTI-XJKSGUPXSA-N 443.332 5.495 30 10 IKEE N#C[C@]1(Cc2ccc(I)c(Br)c2)CCc2ccccc21 2377408079 RKAGJOITANLJII-QGZVFWFLSA-N 438.106 5.004 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3c(OCC)ccc4ccccc34)cc21 8959550 VVMQVVSYPMZIIY-UHFFFAOYSA-N 444.531 5.428 30 10 IKEE O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1ccc(-c3ccccc3)cc1)Nc1ccccc1N2 21222703 NYZFUVYWGUPQKK-KPURRNSFSA-N 448.591 7.395 30 10 IKEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccco2)cc1OC 21225465 AYNJACQHVAXUSO-WGDIFIGCSA-N 430.504 5.666 30 10 IKEE O=C1/C(=C/c2ccc(-c3ccccc3)cc2)CCC/C1=C\c1ccc(-c2ccccc2)cc1 27469486 MXKYVDMQCYMRGK-WECXDZCISA-N 426.559 8.241 30 10 IKEE CN1C/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)C1 34871441 WGSNOXYOCARBGX-LRSUZXNRSA-N 427.158 6.282 30 10 IKEE CCOc1ccc2oc(C)c(C(=O)Oc3ccc(C(=O)/C=C/c4ccc(F)cc4)cc3)c2c1 34955167 ZJLQYLJZUURRTA-MKMNVTDBSA-N 444.458 6.394 30 10 IKEE Cc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(-c4ccccc4)cc2)C3=O)cc1 35087116 BSJJAXVCXIECQQ-PKAZHMFMSA-N 432.475 6.497 30 10 IKEE C=CCC[C@@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F 36306811 PCBKROQRGSNNCD-OAQYLSRUSA-N 437.559 5.558 30 10 IKEE Cc1cc(OC(=O)c2ccc(C(C)(C)C)cc2)cc2c1C(=O)/C(=C/C=C/c1ccccc1)O2 41288652 IQLOABBYWMFNPC-KRFUZPIUSA-N 438.523 6.684 30 10 IKEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4cccc(C)c4)cc(C)c3C2=O)cc1OC 41355197 LFNOSBPUKXNERB-QRVIBDJDSA-N 430.456 5.156 30 10 IKEE COc1ccccc1/C=C1\S/C(=N/N=C\c2ccccc2C)N(Cc2ccco2)C1=O 47138634 VAGGZXULUACBER-QXZAMSPYSA-N 431.517 5.103 30 10 IKEE C=CCn1c(CNc2cccc3ccccc23)nnc1SCc1ccc([N+](=O)[O-])cc1 59265549 AGCYNHYLYVSYAE-UHFFFAOYSA-N 431.521 5.430 30 10 IKEE C[C@H]1C/C(=N\OC(=O)c2ccccc2F)c2ccc(OC(=O)c3ccccc3F)cc2C1 59377208 UACDJTUITHKZCY-HEHMFNKLSA-N 435.426 5.327 30 10 IKEE C=C(C)COc1ccccc1NCC(=O)Nc1cccc(OCCOc2ccccc2)c1 66062836 HFTMXFKANBEPBJ-UHFFFAOYSA-N 432.520 5.150 30 10 IKEE CCCCCCCCCCCCCC(=O)N1CCNC(=O)[C@H]1CC(=O)OCCCCC 100442159 BWJOYOTWBLQBFI-JOCHJYFZSA-N 438.653 5.138 30 10 IKEE CCCCCCCCCCCCn1c(CCCCCNC(=O)CC)nc2ccccc21 102163053 OXXHGQPFWFBXEX-UHFFFAOYSA-N 427.677 7.196 30 10 IKEE O=C1C(=O)N(c2ccc(F)cc2)[C@H](c2ccccc2Cl)/C1=C(/O)c1ccc(Cl)cc1 102502383 ROMUWBVABRQNOU-GOBJLOIFSA-N 442.273 5.759 30 10 IKEE CC(=O)N(/C=C1/Sc2ccccc2C1=O)c1ccccc1-c1nc2ccccc2c(=O)o1 102590823 RDTIVKSZESGQRP-HYARGMPZSA-N 440.480 5.038 30 10 IKEE C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C/c1ccc(C(F)(F)F)cc1)C2=O 118919573 UELTYJDTQILMTO-NBNHDTGTSA-N 446.553 6.671 30 10 IKEE COc1cc(/C=N/Nc2ccc(C(=O)O)cn2)ccc1OCc1ccc(Cl)cc1Cl 169877894 BIXCJAYGODDBSJ-KIBLKLHPSA-N 446.290 5.120 30 10 IKEE COc1cccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2cccc(C)c2)c1 169930593 LCGINVVHZNACAI-XMMPIXPASA-N 427.500 5.403 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@H]2c2cccs2)cc1 169982506 NBGJJTSIIVMMCX-QFIPXVFZSA-N 433.529 5.098 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2cccs2)ccc1F 169983004 VYKXWRDXKAFOSM-QFIPXVFZSA-N 435.520 6.102 30 10 IKEE CCCCCCCCN1C(=O)C(c2ccc(OCC)cc2)=C(N2C[C@@H](C)C[C@@H](C)C2)C1=O 169993757 APDNSMOXGNEOMO-OYRHEFFESA-N 440.628 5.504 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2cccc(O)c2)cc1C 170080519 GCZWUWUNAFXOIB-XMMPIXPASA-N 438.483 5.273 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1cccc(O)c1)c1cccc(Cl)c1 170082606 VKJBZUZXVPNUGI-HXUWFJFHSA-N 441.817 5.107 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccco2)cc1 170098091 PVVWSYJRBMCSDQ-FQEVSTJZSA-N 430.485 5.235 30 10 IKEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(C)c2)c1 170143967 UVFPXIXXXMPAKQ-NRFANRHFSA-N 437.879 5.029 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1cccs1)c1cccc2ccccc12 170166968 IZJTVUWZRQSIQY-QHCPKHFHSA-N 443.499 5.819 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccn2)c1 170179199 JKPMSWZJVLXVSP-OAQYLSRUSA-N 440.927 5.045 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccnc2)c1 170191032 MEFZKEAKVWUDPA-JOCHJYFZSA-N 448.906 5.225 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccccc2)cc1Cl 170223729 FQVCOPFUFASDRU-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccccc2)c1 170226762 YYSQLKLPTVMOQX-HSZRJFAPSA-N 447.918 5.910 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(Cl)cc1 170236503 GAZCUVNTWHPXMA-QFIPXVFZSA-N 441.955 5.672 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(Cl)cc2)cc1C 170237188 ILXXGVAHZNINLD-JOCHJYFZSA-N 439.939 5.486 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccc(F)cc2)c1 170238802 JKJCHYVNFLLQCR-DEOSSOPVSA-N 445.490 5.706 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(F)cc1)c1ccc2ccccc2c1 170241203 VVFRIYLDSAJMRG-HSZRJFAPSA-N 427.431 5.350 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccccc2C)cc1 170271851 QFHLRTXEPRMHLM-XMMPIXPASA-N 443.499 5.272 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@@H]1c1ccccc1C 170277368 YIGSPWCVIPTYKQ-DEOSSOPVSA-N 435.564 5.896 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccco2)cc1 170281043 ROAJLZCPIRVHQL-XMMPIXPASA-N 445.515 5.975 30 10 IKEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccc(C)o2)c1 170300126 HEWLKNLWHMUAIS-RUZDIDTESA-N 437.495 6.141 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2sccc2C)c1 170314496 ABQGVCYTPRJERM-OAQYLSRUSA-N 449.528 5.334 30 10 IKEE COc1ccc(OC)c(C=Nc2sc3c(c2C(=O)Nc2ccccc2)CC[C@H](C)C3)c1 254609279 ZUJNXOYFMXQPHZ-INIZCTEOSA-N 434.561 5.893 30 10 IKEE CCN1C(=O)/C(=C\c2c(OC)ccc3ccccc23)SC1=Nc1ccc(C(=O)O)cc1 254870545 YSCRMUFMNGTCOT-ZOQGDPGVSA-N 432.501 5.171 30 10 IKEE C=C(C)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@]3(C)CC[C@H](O)C(C)(C)[C@H]3CC[C@@]21C 257472070 LFPVZIIPFONRSW-XPRAATSESA-N 426.729 8.025 30 10 IKEE endogenous,in-man CCCOc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(F)ccc2F)c1 526744970 VRFFUVSOGMHQCB-QHCPKHFHSA-N 449.453 5.537 30 10 IKEE Clc1cccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccccn2)c1 526812670 HKJWSBPBIUGMJV-QQXSKIMKSA-N 433.968 5.286 30 10 IKEE CCCCCCCCCC[C@H](N)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 693710746 XYHAHKYEHFWFIM-RPLLCQBOSA-N 445.692 6.014 30 10 IKEE C[C@@H](CC(C)(C)C#N)Nc1c(Br)cc(Br)cc1Br 695812637 OOJZTSOELVQEAL-QMMMGPOBSA-N 438.989 5.714 30 10 IKEE COc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)c(F)c1 698404027 JTTWOYMJJPWECC-SFHVURJKSA-N 435.293 5.603 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@](C)(C#N)[C@H]1CC2CCC1CC2 698442084 DBBMUMSCABCDFA-DUDHFMMFSA-N 433.390 6.299 30 10 IKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@H](C#N)c1ccc(Br)cc1F 698828355 PFYWBTNNWPFFGN-SFHVURJKSA-N 425.342 6.113 30 10 IKEE C[C@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)CN1C(=O)OC(C)(C)C 698871282 UFIGSLPCNPLWMV-HJPURHCSSA-N 433.524 5.249 30 10 IKEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@](C)(C#N)c1cc(Br)ccc1F 698952701 LDVKYKVEPPQMBN-QGZVFWFLSA-N 426.290 5.264 30 10 IKEE CCCCCCCCC[C@@H](N)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 710537042 KFRZFULKYZZAJL-XMMPIXPASA-N 445.692 6.014 30 10 IKEE CCCCCCCN1C(=O)C[C@H](C(=O)Nc2ccccc2F)SC1=Nc1ccccc1 1083936828 IRKKPOBMKZYKAO-OAQYLSRUSA-N 441.572 5.756 30 10 IKEE Cc1cc(/C=C2/SC(=Nc3ccc(C(=O)O)cc3)N(C)C2=O)c(C)n1C1CCCCC1 1083957378 CPQOIMHHGASAFP-ZOQGDPGVSA-N 437.565 5.542 30 10 IKEE Brc1ccc(C=NNc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 1083998415 TZBDVGWBKXTROT-UHFFFAOYSA-N 434.362 6.686 30 10 IKEE CC/N=C1\S/C(=C\c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)C(=O)N1CC 1084080825 MHKZNVJZNAIUDI-HXNPFYCNSA-N 429.589 6.073 30 10 IKEE COc1ccc(CCN2/C(=N/c3ccc(C)cc3)S[CH][C@@H]2c2ccc(C)cc2)cc1OC 1614593713 OFWGSOGQQVNEBU-CSGLMTGXSA-N 445.608 6.503 30 10 IKEE CN1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=Nc1cccnc1 1772731011 GXXOTJSJPWMQFJ-FNGBSHHDSA-N 440.322 5.338 30 10 IKEE Cc1c(N=Nc2ccccc2Br)c(O)n([C@@H](C)c2ccccc2)c(=O)c1C#N 1772740958 ODBZQNDRFXCKJC-AWEZNQCLSA-N 437.297 5.521 30 10 IKEE CCCCCCCCCCCCC[C@]1(CCCC(=O)OCCO)OCC(C)(C)N1Cl 1848441241 NZUPPFPHGDYPEM-XMMPIXPASA-N 448.088 6.354 30 10 IKEE Cc1cc(-c2c(C)sc3nc(SCc4cccc(C#N)c4)nc(O)c23)ccc1Cl 1857805226 IEGIFSRSCYCZID-UHFFFAOYSA-N 437.977 6.498 30 10 IKEE N#Cc1c(NC(=O)c2ccc3nc(-c4ccc(Cl)cc4)oc3c2)sc2c1CCCC2 1859742827 FOJUWDWYPRFRJT-UHFFFAOYSA-N 433.920 6.212 30 10 IKEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc(OCC)cc1 1861583969 NDOONGCWQTUAAF-KRNATXNASA-N 428.617 5.346 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2cccc(O)c2)cc1C 1862401185 VQYIKFRXICRQKT-MZNJEOGPSA-N 443.499 5.049 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CC)cc1 1862423227 XQIUTJSCSGRKAP-OAQYLSRUSA-N 429.463 5.132 30 10 IKEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc(Br)c1 1862438485 BSSYSHQMDYFQEM-KZULUSFZSA-N 448.744 5.479 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(OCC)c(OCC)c1 1862438489 MXGKMXBOXDBKKN-OAQYLSRUSA-N 443.927 5.126 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862477698 PBMLFHROAUYNHE-RUZDIDTESA-N 443.518 6.036 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1862488080 QIEVLCGJSFXNDN-FQEVSTJZSA-N 440.883 5.078 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccco2)c1 1862493931 ASBPEJSAYUTPEE-XMMPIXPASA-N 445.515 5.464 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cccc(Br)c1 1862510111 WTNYIUYMXQWMEO-LJQANCHMSA-N 446.316 5.275 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2c(Cl)cccc2Cl)cc1 1862521984 WFSUBPJJQDAWGX-FQEVSTJZSA-N 448.346 5.769 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc(N(C)C)cc2)cc1 1862532043 APOWZFZLSSZHLI-MQVPCNEGSA-N 446.591 5.472 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(OCC)cc1 1862582620 IVCDLTJNWFQVJA-IBGZPJMESA-N 432.303 5.156 30 10 IKEE CCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1cccc(C)c1 1862589565 NWFGRHRSYYVUPW-VWLOTQADSA-N 449.591 6.420 30 10 IKEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2cccc(Cl)c2)c1 1862591959 RUHZSAOUVDFCBY-QHCPKHFHSA-N 447.918 5.441 30 10 IKEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(C)c2)cc1 1862673669 GMFDLHCEIYWWQJ-XMMPIXPASA-N 429.491 5.264 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1 1862673878 QIDBHQSVOFHHFF-HSZRJFAPSA-N 433.454 5.176 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2C(C)C)cc1 1862726007 WSVKGPXGYFAOHW-XMMPIXPASA-N 427.500 5.349 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(CC)cc1 1862748861 KYBJDWCODCXVHM-QFIPXVFZSA-N 436.508 5.316 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C)cc2)=C(c2cccc3ccccc23)C1=O 1863222765 OHDYPLZOEHRXCH-UHFFFAOYSA-N 440.587 6.701 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2cccs2)=C(c2ccc(OCC)cc2)C1=O 1863569327 PRTJNPMMBAYNRR-UHFFFAOYSA-N 440.609 5.377 30 10 IKEE CCCCCCCCCCNC1=C(c2cc(C)ccc2C)C(=O)N(CCCN(C)C)C1=O 1863735622 VKTWCYCUZZMELD-UHFFFAOYSA-N 441.660 5.065 30 10 IKEE C[C@@H]1CN(c2cc(Nc3ccccc3C#N)nc(C(C)(C)C)n2)C[C@@H](c2ccc(F)cc2)O1 1868350433 JLQRTQBISGSZCK-VGSWGCGISA-N 445.542 5.495 30 10 IKEE CC(C)c1ccc(/C=C/C(=O)Nc2c(C#N)nnn2Cc2ccc(Cl)c(Cl)c2)cc1 1870107531 MTTUSIFRLSRSAI-UXBLZVDNSA-N 440.334 5.280 30 10 IKEE CCN(CC)c1ccc(-n2nnc(C#N)c2NC(=O)/C=C/c2ccc(C(C)C)cc2)c(C)c1 1870140717 GHMJIBYXWCPVSB-XNTDXEJSSA-N 442.567 5.069 30 10 IKEE CCCCOc1cn(Cc2ccccc2)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870181027 IUZWHBNZYOJDEP-UHFFFAOYSA-N 447.604 5.560 30 10 IKEE CCCN(CCC)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1Cc1cccc(C)c1 1870348019 FCMGDEPHZBXQPE-UHFFFAOYSA-N 443.591 5.278 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(OC)cc2)c(CN2CCC[C@@H](C)C2)cc1=O 1870414011 COLOIOUTWJMAQA-JOCHJYFZSA-N 440.628 5.486 30 10 IKEE CCCCCCCCn1cc(OCCCCC)c(=O)cc1CNc1ccccc1C(C)C 1871130500 UAYJRFDKPGPFFP-UHFFFAOYSA-N 440.672 7.513 30 10 IKEE C=CCn1cc(OCCc2ccccc2)c(=O)cc1CNc1cc(C(C)C)cc(C(C)C)c1 1871141110 BTHDOGKQHZCUGL-UHFFFAOYSA-N 444.619 6.515 30 10 IKEE CCCCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(C(C)(C)C)cc1)C3=O 1871351838 CMWSVQKBJBYGOC-JLPGSUDCSA-N 433.592 6.641 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OC(=O)CCc4ccc(Cl)cc4)cc(C)c3C2=O)c1 1871368440 GYFDOOAMYBNXPW-UCQKPKSFSA-N 448.902 5.811 30 10 IKEE C=CCOc1ccc(C(=O)Oc2ccc3c(=O)c(-c4ccc(Cl)cc4)coc3c2)cc1 1871389900 TTYVVKFZXUBXTL-UHFFFAOYSA-N 432.859 5.897 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4c(F)cccc4F)cc(C)c3C2=O)cc1 1871441109 YJRGNAFQKZVWLD-NHDPSOOVSA-N 435.426 5.215 30 10 IKEE CCCCCCCCCCN=c1nc(N(C)CCCC)[nH]c(=Nc2ccc(C)cc2C)[nH]1 1871605290 LOPACILTVKNGMF-UHFFFAOYSA-N 440.680 5.865 30 10 IKEE C=C(C)CN([C@@H](C(=O)Nc1cc(C)cc(C)c1)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1871982737 LCPSAKFPNOEGOG-XMMPIXPASA-N 442.625 5.150 30 10 IKEE C=CCN([C@@H](C(=O)Nc1cc(C)cc(C)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1871996857 HGTGBDSHVCMHQA-YADARESESA-N 442.625 5.150 30 10 IKEE CC(C)c1ccc(O[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 1872760767 XKDWJFWTOGAWJR-HOYKHHGWSA-N 440.568 6.730 30 10 IKEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(Cl)c(Cl)c3)n2)c(C)c1 1872769390 QWPHFRAXDCYMKH-JZLODUJNSA-N 427.356 6.623 30 10 IKEE Cc1cc(C)c(C)c(-c2csc([C@H](C#N)C(=O)/C=C\c3ccc4c(c3)OCCO4)n2)c1C 1872778380 KDQAAXFSRVFGLP-MWGFUINXSA-N 444.556 5.705 30 10 IKEE CCCc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1 1872781897 ZVTCCEQNIJMNSL-JOCHJYFZSA-N 432.589 6.252 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2cc(Cl)ccc2OC)=C(c2cccnc2)C1=O 1873268567 BVGDXWZUJIIUGN-UHFFFAOYSA-N 441.959 5.296 30 10 IKEE C=CCNC(=O)c1c(NC(=O)c2c(Cl)ccc(Cl)c2OC)sc2c1CCCC2 1873441517 XZUBEOIGECUQJI-UHFFFAOYSA-N 439.364 5.110 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)cc2)cc2c(NCCCCCCCCCC)ncnc21 1873629283 UXIVFXGWDPLFJC-UHFFFAOYSA-N 447.627 6.731 30 10 IKEE C=CCn1c(C(=O)Nc2ccc3c[nH]nc3c2)cc2c(N(CCCC)CCCC)ncnc21 1873662006 AFTKBTWFOKQPMU-UHFFFAOYSA-N 445.571 5.153 30 10 IKEE CSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccc(C(C)C)cc1 1874215037 SDEZGLWFJLYLOV-BUVRLJJBSA-N 428.989 5.671 30 10 IKEE Cc1ccc(CSc2nnc(COc3ccc(Cl)cc3)n2/N=C/c2cccnc2)cc1 1874262712 MRBSGJYMLYUIPI-VULFUBBASA-N 449.967 5.388 30 10 IKEE Cc1cccc(CSc2nnc(CCCOc3ccccc3)n2/N=C/c2cccn2C)c1 1874317563 ZPHUYHWENRYJOC-NLRVBDNBSA-N 445.592 5.111 30 10 IKEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874329717 BHBATZGPFDHGQK-ZVHZXABRSA-N 435.553 5.139 30 10 IKEE CCCOc1c(/C=N/n2c(Cc3ccc(Cl)cc3)nnc2SCC)cccc1OC 1874339753 KDICYPHCBYCZPY-BUVRLJJBSA-N 444.988 5.314 30 10 IKEE Cc1ccccc1CSc1nnc(CCOc2ccccc2)n1/N=C/c1ccc(F)cc1 1874344825 HIMKHVFFXHOGDT-WPWMEQJKSA-N 446.551 5.522 30 10 IKEE Clc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CCCC2)cc1 1874456130 BUVPCLMDTIGGPZ-ZMOGYAJESA-N 431.392 6.417 30 10 IKEE FC(F)(F)c1nnc(SCc2ccccc2Cl)n1/N=C/c1ccccc1Cl 1874461517 QVJYUBXNBYHNTK-NUGSKGIGSA-N 431.270 5.778 30 10 IKEE COCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1cccc(C)c1 1874474000 HQYIATWLLIUEMT-FSJBWODESA-N 435.380 5.257 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2ccc(C(C)C)cc2)c1 1874487867 UBJPRDIPHAFQNR-CVKSISIWSA-N 449.624 5.521 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(O)c(O)c1 1874511348 UTTCRIJHAJGJBV-LSHDLFTRSA-N 437.352 5.123 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2ccc(C)cc2)cc1C 1874574620 WUDZBPMKYCMWJP-GXDHUFHOSA-N 445.515 5.234 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCCO)cc1OCCC 1874576571 TYFIRRYTQZJDME-SOFGYWHQSA-N 448.943 5.193 30 10 IKEE Cc1ccc(C)c(COc2ccc(Br)cc2/C=C/C(=O)c2cc(C)ccc2C)c1 1874580411 MPBGUWNNRNIYMG-PKNBQFBNSA-N 449.388 7.158 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccccc2OCc2ccc(F)cc2)cc1 1874584359 KFYVFLSBIXGZNV-HMMYKYKNSA-N 446.562 7.650 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cc(Cl)ccc1OCc1ccccc1C 1874588819 GOCVMEHNNISRLZ-CSKARUKUSA-N 441.354 7.094 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1 1874603926 MKUNBIONGNQMGS-SFQUDFHCSA-N 439.555 6.096 30 10 IKEE CCc1ccc(NC(=O)COc2c(OC)cc(/C=C/C(=O)c3ccccc3)cc2OC)cc1 1874614837 SHPCPIVYWOTOAX-NTCAYCPXSA-N 445.515 5.180 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Cl)c1OCc1ccccc1C 1874624335 YFJXDWXAKVEMHX-XNTDXEJSSA-N 448.990 7.646 30 10 IKEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OC 1874625107 LXEJMTDGIFSBKY-RIYZIHGNSA-N 437.580 5.742 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 1874625354 ZGDOKLKTHHVQEF-KPKJPENVSA-N 439.870 5.401 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCCOc3ccccc3)c2)cc1OC 1874694062 JQPVBNMOMDFMKA-FYWRMAATSA-N 446.499 5.365 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc(CC)cc3)ccc2OC)c1 1874694448 CWYPMFFTHLTGHH-RVDMUPIBSA-N 430.500 5.772 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cccc(Oc4ccccc4)c3)c2)cc1 1874694686 PCSRRYNRWIDAMZ-KNTRCKAVSA-N 448.518 7.157 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccccc2-c2ccccc2)c1)c1cccc(Cl)c1 1874699349 QQDNNMBUVSRUDD-WUKNDPDISA-N 438.910 7.122 30 10 IKEE O=C(Cc1ccc(Cl)cc1)Oc1cccc(/C=C/C(=O)c2cccc3ccccc23)c1 1874708187 RBISPSJTDKYTEV-DTQAZKPQSA-N 426.899 6.537 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc(Br)c2)ccc1OC(=O)CC(C)C 1875115678 PNNLXGCOYJLASN-CSKARUKUSA-N 431.326 5.695 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(Cl)cc3)c(Cl)c2)cc1 1875133177 IJOVBOYSBYKEEJ-WUXMJOGZSA-N 425.311 6.346 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC(=O)Cc1ccccc1Cl 1875134027 JEQBJWZHNGVEDD-FMIVXFBMSA-N 434.919 6.010 30 10 IKEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)c3cccc4ccccc34)c(Cl)c2)ccc1F 1875141821 XEAARKGLHNITOM-UKTHLTGXSA-N 444.889 7.056 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2cccs2)c(Cl)c1 1875193251 ZEGWFWPBUGZGSR-QPJJXVBHSA-N 447.339 6.108 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)[C@@H](c3ccccc3)C3CCCCC3)ccc21 1890670291 ACBHHOMSBFKROS-VWLOTQADSA-N 446.591 5.927 30 10 IKEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1cccc(Oc2ccc(F)cc2)c1 1891703571 RYDMHVDQKQUIKV-UHFFFAOYSA-N 443.396 5.449 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1ccc(CNC(=O)OC(C)(C)C)s1 1922112307 LVGGZRUHMMUSBB-JOCHJYFZSA-N 430.614 5.587 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H]([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C1 1993189063 LREWQKORWQSDOK-QAPCUYQASA-N 435.952 5.231 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@H](C(C)C)N(Cc3ccccc3)C2)cc1 2029765108 SNIOWQYSEQIDKW-SHQCIBLASA-N 433.596 5.929 30 10 IKEE Cc1sc(Cl)cc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2036891602 GJAMDSNEIWDGEC-HNNXBMFYSA-N 441.778 6.479 30 10 IKEE CCc1ccc(-c2nc(NC(=O)C=Cc3ccc(OCC#N)c(OC)c3)sc2C)cc1 2042444642 DXKGQAOTDZBMAU-UHFFFAOYSA-N 433.533 5.244 30 10 IKEE CC1(C)CSC(=NCc2ccccc2)N1C(=O)C=Cc1ccc(Cl)c([N+](=O)[O-])c1 2053510333 DKSGKFAHSLYVHS-UHFFFAOYSA-N 429.929 5.172 30 10 IKEE C=CC[C@H](C)[C@@H](NC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071357632 RCYVRQRLGDFDDD-GJJMEYSYSA-N 431.576 5.678 30 10 IKEE CCc1nn([C@H](c2ccc(C)c(C)c2)C(C)(C)C)c(I)c1/C=N/O 2079094465 UUZGPLDCBQASOK-LASGFXPTSA-N 439.341 5.111 30 10 IKEE CC(C)c1ccc([C@@H](C2CC2)n2nc(C(F)(F)F)c(C=NO)c2Br)cc1 2079988066 ZLHKOWVWQDUEOY-HNNXBMFYSA-N 430.268 5.595 30 10 IKEE CC1([C@H](c2ccc(C(F)(F)F)c(F)c2)n2nc(C3CCC3)c(C=NO)c2Cl)CC1 2080005280 DYFJIZWAMJBART-KRWDZBQOSA-N 429.845 6.160 30 10 IKEE Oc1cc(-c2cc(F)cc(C(F)(F)F)c2)nc2c(Br)c(C(F)(F)F)nn12 2080883396 RASLQLYLLMKBKC-UHFFFAOYSA-N 444.104 5.041 30 10 IKEE CCc1cc(Br)c([C@H](C#N)N(CCN(CC)CC)C(=O)OC(C)(C)C)s1 2089742317 XUXLJXLWHLTJEQ-INIZCTEOSA-N 444.439 5.217 30 10 IKEE N#Cc1ccc(CNc2cc(Br)c(Br)c(Br)c2)cc1 2095447123 FDDPGZOFPQSPRE-UHFFFAOYSA-N 444.952 5.458 30 10 IKEE Cc1ccc(Br)cc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 2098576795 WKSGKXGHIWJWMM-SFHVURJKSA-N 435.749 6.417 30 10 IKEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Cl)c(Br)c1F 2102881518 AZCFNZWHLNQQNL-WMLDXEAASA-N 447.776 5.199 30 10 IKEE C=CCCCCCC[C@@H](NN)c1ccc(Br)cc1I 2142288465 KTGLDFGRAKUXDE-OAHLLOKOSA-N 437.163 5.085 30 10 IKEE CC(C)(C)OC(=O)N1Cc2cccc(Nc3cc(Br)c(C#N)cc3F)c2C1 2162399988 OZOXXRSPIIFKCS-UHFFFAOYSA-N 432.293 5.454 30 10 IKEE CCC[C@@]1(CNc2cccc(Br)c2C#N)CCCN(C(=O)OC(C)(C)C)C1 2162412453 AISYYSCJLJDWSX-NRFANRHFSA-N 436.394 5.550 30 10 IKEE CCCCCCCCN(C)[C@@H](CN)c1cc(Br)c(Br)s1 2196736269 GIIDQBQKDAHBBT-ZDUSSCGKSA-N 426.262 5.565 30 10 IKEE CCCN[C@@H](C#CP(C)(C)=O)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2225397400 DHOKQPLHVXSTHA-KRWDZBQOSA-N 443.322 5.420 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C)(CNc2cc(Br)cc(F)c2C#N)CC1(C)C 2236750838 LJPUGEACXDTTSX-FQEVSTJZSA-N 440.357 5.297 30 10 IKEE C=CCCCCCCC[C@H](N)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248488594 SZKWWBWDRSBHIT-QHCPKHFHSA-N 430.633 5.684 30 10 IKEE COc1cc(OC)c(OC)cc1C=C1Oc2cc(OCc3ccccc3C)ccc2C1=O 2296868022 OMJUPSSJNPSREE-UHFFFAOYSA-N 432.472 5.216 30 10 IKEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(C)cc2)cc1 2297056804 YZYOGDQIWSWHSP-OAQYLSRUSA-N 448.544 5.093 30 10 IKEE O=C(C=CC1=NN(c2ccccc2)[C@H](c2ccccc2)C1)c1ccc(-c2ccccc2)cc1 2297201523 KIFCNWJRTXNGKJ-LJAQVGFWSA-N 428.535 7.100 30 10 IKEE CCCCN(CCCC)C[C@H](O)Cn1cc(C=CC(=O)c2ccccc2)c2ccccc21 2297359439 SDZIJGBMMXHWRM-VWLOTQADSA-N 432.608 5.801 30 10 IKEE CCN1C(=O)C(=Cc2ccc(N(CC)CC)cc2OC)SC1=Nc1ccc(OC)cc1 2297462861 UJUOMSBOBXQIEM-UHFFFAOYSA-N 439.581 5.174 30 10 IKEE CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 2299161319 JBVGOLHAKKHIDM-ROUUACIJSA-N 449.979 5.619 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)c1 2299174739 TYJCQEFRCCZUCD-RBUKOAKNSA-N 429.561 5.274 30 10 IKEE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2314437645 RVLIIMBGSXAMRF-UHFFFAOYSA-N 428.484 5.828 30 10 IKEE C=CCN1C(=O)C(=Cc2ccc(C(=O)O)cc2)SC1=Nc1nc(-c2ccccc2)cs1 2314543337 BBJQKPLPMYIUGN-UHFFFAOYSA-N 447.541 5.298 30 10 IKEE CN[C@H](C#CC(C)(C)OC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2316469151 RCTOQYPBHREZEY-RUZDIDTESA-N 429.560 5.534 30 10 IKEE COc1ccc2ccccc2c1C=Nn1c(SCc2ccc(Cl)cc2)nnc1C1CC1 2320880755 UOHQVMGEFFZRPU-UHFFFAOYSA-N 448.979 6.145 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OCC(=O)OC(C)(C)C)cc(C)c3C2=O)cc1 2321736622 FLRAVEHTJXCSGQ-UHFFFAOYSA-N 437.536 5.178 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(C(C)C)cc1)O3)CN(CCc1cccs1)CO2 2322197091 OKSBVGWJIJKUNN-UHFFFAOYSA-N 445.584 6.191 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2c(OCCO)ccc3ccccc23)cc1OCCC 2322502671 GLXZABRPJNBRCX-UHFFFAOYSA-N 434.532 5.685 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2cccc3ccccc23)c1OCc1ccc(F)cc1 2322724596 KMXPBJNKEOIOHN-UHFFFAOYSA-N 446.905 7.116 30 10 IKEE CCn1cc(C=C2Oc3cc(OC(=O)c4ccc(F)cc4)cc(C)c3C2=O)c2ccccc21 2322781455 MSXXGAAAPOSPQV-UHFFFAOYSA-N 441.458 5.944 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1c(OCc2ccc(C)cc2)ccc2ccccc12 2323022510 NWIWTEIHUXISOS-UHFFFAOYSA-N 442.942 7.285 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3C)c(Cl)c2)cc1C 2323561542 JAAPBRIWTDBQQM-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE COC(=O)c1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2cccs2)C3=O)cc1 2323613199 NGOCMPINANUNFW-UHFFFAOYSA-N 446.480 5.078 30 10 IKEE CCn1cc(C=C2Oc3c(ccc(OC(=O)CC(C)C)c3C)C2=O)c2cc(OC)ccc21 2323766817 DORKQDKSELZDOF-UHFFFAOYSA-N 433.504 5.546 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc(Cl)c2)cc(OC)c1OCc1cccc(F)c1 2323775013 OAWNPYMKYHDNKA-UHFFFAOYSA-N 436.910 6.691 30 10 IKEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2sccc2C)C3=O)c(OC)c1 2323777663 RFGVEQYNORIRFF-UHFFFAOYSA-N 436.485 5.218 30 10 IKEE Cc1cc(OCCCOc2ccccc2)cc2c1C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)O2 2324234670 OTKAOPBTWCUYOB-UHFFFAOYSA-N 431.444 5.367 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OCCOc3cccc4ccccc34)ccc2C1=O 2324693618 UUYYNIMBJNKRGP-UHFFFAOYSA-N 428.509 6.284 30 10 IKEE Cc1c(OCc2ccc(C(=O)OC(C)C)o2)ccc2c1OC(=Cc1ccccc1F)C2=O 2325387920 XOEHDXDTTMXCEQ-UHFFFAOYSA-N 436.435 5.488 30 10 IKEE CCCc1nnc(SCc2cccc(F)c2)n1N=Cc1cc(Br)ccc1O 2325549696 JHCHQZJVUXZQDW-UHFFFAOYSA-N 449.349 5.012 30 10 IKEE O=C(CCCOc1ccccc1)Oc1cccc(C=CC(=O)c2ccc3ccccc3c2)c1 2325700313 BUKTYTBBGOIDDI-UHFFFAOYSA-N 436.507 6.501 30 10 IKEE COc1cccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(Br)cc3)c2)c1 2325707741 DYQZWBNOYJELLQ-UHFFFAOYSA-N 437.289 5.573 30 10 IKEE Cc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(Br)cc3)c2)cc1 2325716130 ORQXMDPJBJDUTP-UHFFFAOYSA-N 435.317 5.802 30 10 IKEE Cc1cc(OCC(=O)Nc2ccc(F)cc2)cc2c1C(=O)C(=Cc1ccc(Cl)cc1)O2 2325727965 HKVUZYHKANORPB-UHFFFAOYSA-N 437.854 5.421 30 10 IKEE CCCCC1CCC(C(=O)Oc2cc(C=CC(=O)c3cc(C)ccc3C)ccc2OC)CC1 2325739939 XJAQRLWPRDMBRI-UHFFFAOYSA-N 448.603 7.110 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)c1 2325740397 XAKVSIFDYPCUPV-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE CCCc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc(C(C)C)cc3)c2)cc1 2325750692 FRWOZFIDQTWLSR-UHFFFAOYSA-N 442.555 6.643 30 10 IKEE CCCOc1ccc(C=Nn2c(C)nnc2SCc2ccc(Cl)cc2)cc1OC 2326350380 SGBPLWPZXIYKPX-UHFFFAOYSA-N 430.961 5.212 30 10 IKEE CCOc1cc(C=Nn2cnnc2SCc2cccc(Cl)c2)ccc1OC(C)C 2326461410 WPXXLHBNQILOQV-UHFFFAOYSA-N 430.961 5.292 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1ccc(Cl)cc1 2328567245 SUBWCRLYAFQBOY-UHFFFAOYSA-N 426.973 5.471 30 10 IKEE CCCSc1nnc(CCc2ccc(OC)cc2)n1N=Cc1ccc(C(C)(C)C)cc1 2328580583 UVDUAXMFOWSLGF-UHFFFAOYSA-N 436.625 5.754 30 10 IKEE COc1cccc(C=NNc2ccnc(Cl)n2)c1OCc1c(Cl)cccc1Cl 2328841535 XUILIQUDUGAFMI-UHFFFAOYSA-N 437.714 5.470 30 10 IKEE CCCSc1nnc(Cc2ccc(OC)cc2)n1N=Cc1ccc(N(CC)CC)cc1 2329285387 FGJBDAKIUHFKMK-UHFFFAOYSA-N 437.613 5.108 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2N=Cc2ccccc2)cc1C 2329447590 MLKOIPCNMUPAKD-UHFFFAOYSA-N 447.007 6.314 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(Br)c1OC(C)=O 2330700782 VPNRZFFDOPIAFV-UHFFFAOYSA-N 443.337 5.548 30 10 IKEE CSc1nnc(CC(C)(C)C)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2330799008 AXYUIGONDGJVAG-UHFFFAOYSA-N 428.989 5.703 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OC(=O)C1CCC1 2330807358 QQQULYGAKLESRM-UHFFFAOYSA-N 435.303 5.612 30 10 IKEE Cc1ccccc1CSc1nnc(CC(C)(C)C)n1N=Cc1ccc2c(c1)OCCO2 2330808691 SAEHAMYTCNKJGT-UHFFFAOYSA-N 436.581 5.121 30 10 IKEE CCCCc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)C3CCCC3)c(OC)c2)cc1 2330827048 FDTUNFYMHXJFMA-UHFFFAOYSA-N 436.548 6.038 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3cccc(C)c3C)cc2)cc1C 2330855717 KPFAYTJYIIRVOX-UHFFFAOYSA-N 430.500 5.501 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc(C)cc(C)c3)c([N+](=O)[O-])c2)cc1C 2330867476 WCZFQIXANVWKCL-UHFFFAOYSA-N 445.471 5.644 30 10 IKEE Cc1ccc(CSc2nnc([C@@H]3CCCO3)n2N=Cc2cn(C)c3ccccc23)cc1 2330889042 VQTHPZFQFXABKW-QFIPXVFZSA-N 431.565 5.104 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)C(F)(F)F 2330935153 ZPKXQTVCCNFQRM-UHFFFAOYSA-N 433.209 5.756 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@@H]3CCCO3)n2N=Cc2ccc(C(C)C)cc2)c1 2330961467 YSCSIHOTOZLCRD-QHCPKHFHSA-N 434.609 6.044 30 10 IKEE COc1cccc(C=Nn2c(SCc3ccc(F)cc3)nnc2C2CCCC2)c1OC 2331033865 AYWIFINMMKLADG-UHFFFAOYSA-N 440.544 5.267 30 10 IKEE COC(=O)c1ccc(C=Nn2c(SCc3ccccc3F)nnc2C2CCCC2)cc1 2331071793 UJGQREQJKFVIHO-UHFFFAOYSA-N 438.528 5.036 30 10 IKEE CSCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 2331417998 ICURBOACTHNPSF-UHFFFAOYSA-N 441.549 5.837 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1ccc(F)c(F)c1 2331571270 KTUMUENUFXRJQK-UHFFFAOYSA-N 430.353 5.367 30 10 IKEE Cc1ccccc1CSc1nnc(C2CC2)n1N=Cc1cc(Br)ccc1O 2331729056 MSIMNFIWHUWMED-UHFFFAOYSA-N 443.370 5.107 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OC(=O)c1cncc(C)c1 2331779691 FFBMDKQHKBUFDV-UHFFFAOYSA-N 429.516 5.829 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(C)c(C)c3)c(OC)c2)cc1C 2331854774 OJQZCBYZGXAZDE-UHFFFAOYSA-N 444.527 6.053 30 10 IKEE Cc1cc(CC(=O)Oc2ccc(C=CC(=O)c3cc(Cl)ccc3Cl)cc2)ccc1F 2331859118 OWLCSDAZJZLCLN-UHFFFAOYSA-N 443.301 6.485 30 10 IKEE CC#CCN(C[C@@H](NCCC)c1c(F)cc(C)cc1Br)C(=O)OC(C)(C)C 2363123083 NGWXWJTWVOBEIT-GOSISDBHSA-N 441.385 5.198 30 10 IKEE CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N1 3098489 JDELGNMCBOORLD-QFIPXVFZSA-N 442.342 5.705 30 10 IKEE COc1ccc(OC)c([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)c1 21223822 ZAHBZGMXAWUNEJ-CBZJRKILSA-N 444.506 5.822 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(O)c2)cc1 21229189 QGVODNOAAAPHNC-WTYVLRPYSA-N 440.543 6.161 30 10 IKEE CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@@H]3C[C@H]3O[C@]32C1 32105519 VEEBKUQFPONGGR-KXZJNKLXSA-N 444.700 7.171 30 10 IKEE O=C1/C(=C/c2ccc(Cl)cc2)Oc2cc(OCc3ccc(Cl)cc3Cl)ccc21 39754082 AKQAZOXVPMQYHK-NKVSQWTQSA-N 431.702 6.842 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)S/C1=N/c1cccnc1 39862938 XPGVUFLOYGGJTG-FYCBZXFJSA-N 446.488 5.348 30 10 IKEE C=CCOc1ccccc1/C=C1\S/C(=N/c2cccc(C)n2)N(C2CCCCC2)C1=O 39863619 WPBPOKAJZPHHGU-VDQWIUFOSA-N 433.577 5.892 30 10 IKEE Cc1c(/N=N/c2c(Cl)cccc2Cl)c(O)n([C@H](C)c2ccccc2)c(=O)c1C#N 39870668 UFGLNJWPFWHDJV-NKYKXMNPSA-N 427.291 6.066 30 10 IKEE C=CCc1ccccc1OCCCn1c([C@H](C)NC(=O)c2ccncc2)nc2ccccc21 40183596 SUMNJNPTTMPCNA-FQEVSTJZSA-N 440.547 5.120 30 10 IKEE C=CCc1ccccc1OCCCn1c(CCCCCNC(=O)C(C)C)nc2ccccc21 40211796 PJEFHOXQYMYWMB-UHFFFAOYSA-N 447.623 5.719 30 10 IKEE CCCCOc1ccc(C(=O)/N=C(\NCc2ccncc2)Nc2ccccc2OCC)cc1 45940603 LGRVEVKXHCXLRQ-UHFFFAOYSA-N 446.551 5.057 30 10 IKEE CCCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 100351604 VHNLTAOOLJKMRA-RNHFSVANSA-N 440.971 7.424 30 10 IKEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 102483593 PBFONPZZAZUSLC-FEYWKWKCSA-N 426.516 5.314 30 10 IKEE CCOc1c(Cl)cc(/C=N/NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1Cl 169902225 JIDAIEBAKBIKJB-FSJBWODESA-N 443.396 5.310 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)cc(C)c2)cc1 169922458 VLPNJKKMTTZIPU-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE COc1ccccc1[C@H]1C(C(=O)c2ccc(C)cc2)=C(O)C(=O)N1c1cc(C)ccc1C 169943715 OKYDXVIWWZJYNL-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2cccc(Cl)c2)c1 169970075 NPZYATLBYKODRH-QHCPKHFHSA-N 431.919 6.048 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1cccs1 169984118 GBIGWCWDNBBYGW-NRFANRHFSA-N 448.931 5.974 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@@H]1c1cccnc1)c1c[nH]c2ccccc12 170004521 NHKSEIGOXIQARZ-OAQYLSRUSA-N 447.853 5.138 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccnc1 170005456 CQDFKGKDHKLZRF-JOCHJYFZSA-N 444.874 5.573 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccccc2)cc1 170052528 AXDZNOAODJXJEP-XMMPIXPASA-N 438.483 5.350 30 10 IKEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccccc2)cc1 170052684 ZFVXZMSGTJUHFD-AREMUKBSSA-N 449.506 6.021 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(F)cc1)c1cccc(Cl)c1 170065292 SBVGEMDYMIYQPV-NRFANRHFSA-N 439.845 5.397 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1c[nH]c2ccccc12)c1cc2ccccc2o1 170078290 FEWANNYLCOSQRU-DEOSSOPVSA-N 440.499 5.825 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1C1CCCC1 170126084 HPAVOAYGVWUKGE-HSZRJFAPSA-N 435.520 5.003 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2ccccc2OC(C)C)cc1 170151292 HQLZWKHUQKVKQQ-HSZRJFAPSA-N 437.536 5.251 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1cccs1)c1cccc2ccccc12 170155391 FREOLOVYDRRTMP-QFIPXVFZSA-N 429.472 5.823 30 10 IKEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@@H]1c1cccs1 170158143 ZBTIDGSXXGLNDQ-JOCHJYFZSA-N 449.528 5.165 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccs2)cc1C(C)C 170166508 ZTPMINMNQLXCHD-QFIPXVFZSA-N 439.577 5.709 30 10 IKEE C=CCN1C(=O)C(Nc2ccc(OC(C)C)cc2)=C(c2ccc(Cl)cc2Cl)C1=O 170167520 DDQMEUYWEDKCNW-UHFFFAOYSA-N 431.319 5.159 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccccn1)c1ccc(Cl)c(Cl)c1 170168078 KEEUNNYPMXFCKG-SFHVURJKSA-N 445.327 5.228 30 10 IKEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccn2)c1 170176126 DPRHFKTVILAPCI-QFIPXVFZSA-N 448.906 5.225 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2cccnc2)cc1 170187812 XUEPVXWZBPKFKE-XMMPIXPASA-N 442.515 5.270 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(F)cc1)c1ccc2c(c1)CCCC2 170241106 ZOWOLZDAQRVJEE-HSZRJFAPSA-N 431.463 5.076 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C(C)(C)C)c2)[C@H]1c1ccc(F)cc1 170243348 BBIIKIPRPIDMCU-JOCHJYFZSA-N 439.527 5.510 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)C[C@H](C)O3)=C(O)C(=O)N1C1CCCCC1 170275544 VTJVRHHNOMKWMJ-BXKMTCNYSA-N 431.532 5.229 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2cc(F)ccc2F)o1 170306147 KKWCCQSBNTZFAZ-OAQYLSRUSA-N 435.382 5.395 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1c(C)[nH]c2ccccc12 170311997 WUZORRMBMBBBEO-RUZDIDTESA-N 438.527 6.008 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2sccc2C)cc1 170315306 YEADMLMIIAJJFA-QFIPXVFZSA-N 445.540 5.473 30 10 IKEE CCN(CC)c1ccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(C(C)C)cc2)cc1 170452288 SLROJYBWRDJPSE-AREMUKBSSA-N 448.607 6.171 30 10 IKEE CCCCCCOC(=O)CSc1nnc(N/N=C(\C)C23CC4CC(CC(C4)C2)C3)[nH]1 253577755 XLLSBINYTZWYAJ-BUVRLJJBSA-N 433.622 5.025 30 10 IKEE CCCC[C@@H](CC)OC(=O)CSc1nnc(N/N=C(\C)C23CC4CC(CC(C4)C2)C3)[nH]1 253579363 ZNRZQMOUZFSXTG-WAISSAMBSA-N 447.649 5.413 30 10 IKEE CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(C)[C@H]3CC[C@]12C 253618017 LBERVHLCXUMDOT-IRHCYFLBSA-N 442.684 7.571 30 10 IKEE Cc1cc(Br)cc(Cl)c1OCc1ccccc1B1OC(C)(C)C(C)(C)O1 302624794 OSRKQMWNXKAUDY-UHFFFAOYSA-N 437.570 5.289 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(F)c1Br)NCCC 407894146 SVQABQYNVSJTOZ-ROUUACIJSA-N 443.401 5.358 30 10 IKEE CCCCc1nnc(SCc2ccccc2F)n1/N=C\c1ccc(OCCC)cc1 526802630 JGCVQMIEAPESSO-XYGWBWBKSA-N 426.561 5.723 30 10 IKEE CCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1sccc1C 526815433 WDWSFNPEWRGTHI-FBHDLOMBSA-N 425.410 6.082 30 10 IKEE Cc1ccccc1/C=N\n1c(CCc2ccccc2)nnc1SCc1ccccc1Cl 526816637 GTXIXULLYOYFRR-PKAZHMFMSA-N 447.007 6.200 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccc(OC)c(OC)c1 526817753 AUPJYXUCXPEIHK-MSXFZWOLSA-N 448.951 5.215 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccc(C(C)C)cc1 526817861 CTXQAGDWQUTMDA-MXAYSNPKSA-N 430.980 6.321 30 10 IKEE CCCCc1nnc(SCc2ccc(Br)cc2)n1/N=C\c1ccc(C)cc1 526820098 KDSARBPFOUHDHR-UCQKPKSFSA-N 443.414 5.866 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@H](NC(=O)c3ccc4cc[nH]c4c3)C2)c1 586050689 WONBACMETRDRHH-QHCPKHFHSA-N 444.579 5.040 30 10 IKEE C=C(C)CN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586250977 CJYMMPHISPQVHS-UHFFFAOYSA-N 449.616 6.335 30 10 IKEE CC(C)c1ccc(N(C(=O)c2cccc(C#N)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 586317307 GQTZISZUOMCFFF-UHFFFAOYSA-N 438.936 5.371 30 10 IKEE N#Cc1ccc(Nc2cc(Br)cc(Br)c2)cc1Br 690321406 MCKOOWHCZAILAE-UHFFFAOYSA-N 430.925 5.589 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@](C)(C#N)Cc1ccccc1F 698447285 SWZJJIWHKIMTOK-OAQYLSRUSA-N 433.321 5.855 30 10 IKEE C[C@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)CN1C(=O)OC(C)(C)C 698858353 LRAYANNREFWXEH-QMHKHESXSA-N 433.524 5.249 30 10 IKEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1cccc(Cl)c1Br 719727249 VZPRNGHQMPJAHP-MRXNPFEDSA-N 444.801 5.246 30 10 IKEE CCCCCCCCCCCCOc1ccc([C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2N)cc1 725428947 RVKHBKCZOBFWCK-RPBOFIJWSA-N 446.676 6.648 30 10 IKEE O=S(=O)(Nc1ccc(F)cc1)c1ccc(N=Cc2ccc(Br)cc2)cc1 725446610 MPOVJJBHHDUAIH-UHFFFAOYSA-N 433.302 5.140 30 10 IKEE CO/N=C(/C)[C@@H]1/C(=N/OC)C[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 1076405106 KLCZPBNZZJGNRW-IZYOFXKISA-N 432.605 5.212 30 10 IKEE Cc1nn(C)c(Oc2ccc(F)cc2)c1/C=N/OCc1c(Cl)cc(Cl)cc1Cl 1088719808 YUUWDUUMBDEDHQ-PGGKNCGUSA-N 442.705 6.171 30 10 IKEE CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C[C@H]([C@@H](C)[N+](=O)[O-])[C@@H](C(C)=NO)[C@@]4(C)CC[C@H]32)C1 1565517364 VOETZVYTDQTIBX-VMZAIUHQSA-N 446.588 5.239 30 10 IKEE CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)O[C@@H](C#N)c1ccc(C(=O)c2ccccc2)s1 1614950001 QZBJJONELUBFOV-QWQRMKEZSA-N 434.344 5.678 30 10 IKEE C=CCN1C(=O)/C(=C/c2c[nH]nc2-c2cccc([N+](=O)[O-])c2)SC1=Nc1ccc(C)cc1 1772725088 UEDRKFZIBSZLAF-QUXILYDTSA-N 445.504 5.083 30 10 IKEE C/C(=C1\SC(=Nc2ccncc2Cl)N(C2CCCCC2)C1=O)c1ccc(F)cc1 1772737736 RDOPMRDZXVZGTP-RDJYZGLESA-N 429.948 6.201 30 10 IKEE CCOc1ccccc1NC(=O)c1oc2c(c1C)C(=NNc1ccc([N+](=O)[O-])cc1)CCC2 1772746200 AEHKSXRFFIGIFP-UHFFFAOYSA-N 448.479 5.300 30 10 IKEE Fc1ccc(NC(=S)N/N=C\c2cn(-c3ccccc3)nc2-c2ccccc2)cc1Cl 1857812066 RHCOXUVKQVVBRP-WGARJPEWSA-N 449.942 5.652 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCC)NC(=O)c1cc(C)n(-c2cccc(Cl)c2)n1 1860941436 OUNNIRIFUIFBMV-NRFANRHFSA-N 447.023 5.209 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)c1cc(Cl)ccc1Cl 1861761704 XRKQEVVEVWHIKY-NRFANRHFSA-N 443.459 6.539 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@@H]1c1cccc(OC)c1 1862391987 NIYFNLNYWUZQOL-VWLOTQADSA-N 449.591 6.196 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@H]1c1ccc2cc[nH]c2c1 1862395172 NORMXZJPSJHFSI-RUZDIDTESA-N 444.575 6.279 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(Cl)c(Cl)c1 1862406465 QJHAPWZIYOPZQH-RNODOKPDSA-N 448.346 5.687 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc2cc[nH]c2c1)c1ccc(F)cc1F 1862414648 FKNUSAGRFZABSL-JOCHJYFZSA-N 436.458 5.357 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc(Cl)cc1)c1cccc(Cl)c1 1862445110 OQVDBQFUWLLPQH-NRFANRHFSA-N 438.310 5.772 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 1862446347 QCCGKVQSFROLHK-YFZFPPMRSA-N 444.358 6.150 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1cc(Cl)cc(Cl)c1 1862466949 DRSPNKMFOSEJLH-QGZVFWFLSA-N 444.236 5.399 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccccc2Cl)cc1 1862477340 VZHWPZZAMYCGFP-HSZRJFAPSA-N 437.967 6.340 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862488991 MOFDBMAFZKAZCO-VWLOTQADSA-N 445.559 5.781 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2cccc(F)c2)ccc1F 1862501613 GPFQHFDLBLXMSK-QHCPKHFHSA-N 437.486 5.742 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)cc1 1862502173 SQBHZAGRQGTCQS-YCASGBEESA-N 437.511 5.300 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)c1 1862507140 FCWQIXAIJPRPHF-HOYKHHGWSA-N 429.491 5.782 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Cl)c2)cc1 1862535505 DRQJCEWBPQNHLZ-QFIPXVFZSA-N 432.907 5.076 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 1862538706 KLNAYXJHMFDKLN-NRFANRHFSA-N 443.465 5.789 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cc(Cl)cc(Cl)c2)c1 1862562321 CPEGMPYHCIERLF-HXUWFJFHSA-N 445.346 5.487 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccccc1Cl)c1cccc(O)c1 1862596974 XNFGFUBJLHILKJ-OAQYLSRUSA-N 425.912 5.347 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc(Cl)c1 1862654606 ZTVSLAGVROQCNW-QHCPKHFHSA-N 433.935 6.262 30 10 IKEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2ccc(C(C)C)cc2)cc1 1862664959 VMEUPNOCZKOALS-VWLOTQADSA-N 449.591 5.674 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862690119 IHJNMKCQMYYICL-BUXKBTBVSA-N 434.319 5.379 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc(F)cc2F)c1 1862701995 REEFINBEJGPTIC-OTPBECDQSA-N 441.474 5.130 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862724887 WMTVMHPBWQDOOB-SIBVEZHUSA-N 439.555 6.293 30 10 IKEE Cc1cccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccccc3Cl)C2=O)c1C 1863069805 HZRLWMYFXYUENN-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE CCCCCCCCCCNC1=C(c2cccc3ccccc23)C(=O)N(C[C@@H](C)O)C1=O 1863581543 JOFZDLIZAZFUNW-HXUWFJFHSA-N 436.596 5.031 30 10 IKEE CCCCCCCCNC1=C(c2ccc(C)cc2)C(=O)N([C@@H](C)c2ccc(OC)cc2)C1=O 1863628697 XBVPXIFZTDEWQA-NRFANRHFSA-N 448.607 5.795 30 10 IKEE CCc1nc(Nc2ccc(C#N)cc2)cc(N2CCC(Cc3ccc([N+](=O)[O-])cc3)CC2)n1 1868291387 OYYQKIXNAWUSNF-UHFFFAOYSA-N 442.523 5.022 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3ccccc3[C@@H]2CCc2ccccc2)nc(CC)n1 1869126889 IGZLKWRSTQWTAO-SANMLTNESA-N 438.619 5.954 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3ccccc3[C@H]2C(C)C)nc(-c2ccc(F)cc2)n1 1869270578 BLKXGNGICSXFNQ-HHHXNRCGSA-N 442.582 6.221 30 10 IKEE CCCCCCCCn1cc(OCC(=O)N(CC)CC)c(=O)cc1CSC(C)(C)C 1870172606 AABVZMSACSHIAY-UHFFFAOYSA-N 438.678 5.488 30 10 IKEE CCCCCCCCCCn1cc(OCCCCCC)c(=O)cc1CN(C)CCCC 1870673258 BBZCBRZCCRLMCZ-UHFFFAOYSA-N 434.709 7.180 30 10 IKEE C=CCOc1cn(CCCN(CC)CC)c(CNc2cc(Cl)cc(Cl)c2)cc1=O 1870811183 MTJJKWCSSGTQNC-UHFFFAOYSA-N 438.399 5.064 30 10 IKEE CCCCCCCOc1cn(CCC)c(CNc2ccc(OCCCC)cc2)cc1=O 1870832435 WAWNXJRUGQRTHA-UHFFFAOYSA-N 428.617 6.399 30 10 IKEE CCCCCCCOc1cn(C[C@@H](C)O)c(CNc2ccc(C(C)(C)C)cc2)cc1=O 1870836592 NJNHSAVYMIZNNF-HXUWFJFHSA-N 428.617 5.488 30 10 IKEE CCCCCCCCCCn1cc(OCCCO)c(=O)cc1CNc1cccc(F)c1 1871265245 MCBITTHWQPRTSW-UHFFFAOYSA-N 432.580 5.501 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(F)cc1)O3)CN(CCc1ccc(F)cc1)CO2 1871344717 SRENEXATVSGHKH-QRVIBDJDSA-N 433.454 5.284 30 10 IKEE CCCCCCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccccc1OCC)C3=O 1871349048 OCJQVPWYJKVYBQ-UQQQWYQISA-N 435.564 6.214 30 10 IKEE CCN(CC)CCCN1COc2c(cc3c(c2C)O/C(=C\c2ccc(Cl)cc2)C3=O)C1 1871355036 OAHCRXNBTWHDLG-XKZIYDEJSA-N 440.971 5.148 30 10 IKEE Cc1cc(OC(=O)c2ccc(OC(C)C)cc2)cc2c1C(=O)/C(=C/c1cccc(Cl)c1)O2 1871387877 CXVBPXRIZGMELF-QRVIBDJDSA-N 448.902 6.271 30 10 IKEE COc1ccccc1/C=C1\Oc2c(CN(Cc3ccccc3)C(C)C)c(O)cc(C)c2C1=O 1871393673 CTSIISWZWHYJDD-MYYYXRDXSA-N 443.543 5.736 30 10 IKEE CCOc1ccccc1/C=C1\Oc2c(ccc(OCCOc3cccc(C)c3)c2C)C1=O 1871406872 LQIXDGZJUGYHNT-UQQQWYQISA-N 430.500 5.776 30 10 IKEE Cc1c(Cl)cccc1NC(=O)[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccncc1)C2=O 1871407845 SMTXCYYZTMMIBN-GLFIFPSUSA-N 448.906 5.374 30 10 IKEE COc1cccc(/C=C2\Oc3c(ccc(O[C@H](C)C(=O)Nc4ccc(C)cc4)c3C)C2=O)c1 1871408269 QDPSRQWEPDGHAP-BEXDPUPVSA-N 443.499 5.334 30 10 IKEE Cc1c(OC(c2ccccc2)c2ccccc2)ccc2c1O/C(=C\c1ccc(F)cc1)C2=O 1871430925 KCSKKNYWSCOVBL-ITYLOYPMSA-N 436.482 6.919 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccc(Cl)cc2)C3=O)c1 1871460361 IWLREKBBIDVZKJ-QRVIBDJDSA-N 447.918 5.899 30 10 IKEE CCN(CC)C(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 1871461055 SSZBVPQTXIJDOE-GRSHGNNSSA-N 434.319 5.165 30 10 IKEE CCCCCCCCN=c1nc(Nc2ccc(C(C)(C)C)cc2)[nH]c(N2CCCCC2)n1 1871553985 WDOPOAQJNBYEDA-UHFFFAOYSA-N 438.664 6.097 30 10 IKEE C=CCN([C@H](C(=O)Nc1ccc(CC)cc1)[C@@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872098683 PBDMRMFZFYKRCD-CYFREDJKSA-N 442.625 5.096 30 10 IKEE COc1ccc(OC)c(CC(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)c1 1872760632 UENPHBRPSINHEZ-OAQYLSRUSA-N 432.545 5.125 30 10 IKEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(OC)c(OC)c3)n2)cc1 1872762201 GDIWTPYQRJQZQU-XYJBSGBBSA-N 446.572 6.060 30 10 IKEE CCOC(=O)Oc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(OCC)cc3)cs2)cc1 1872768573 WVVXTZSBRULXKY-LJQANCHMSA-N 436.489 5.234 30 10 IKEE COc1ccc(/C=C(/C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c2ccccc2)cc1 1872768599 XOJXVYSUZKWMJJ-VOGGAGISSA-N 436.536 6.236 30 10 IKEE CCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1 1872778825 VOUDOKPMLYCQOB-INIZCTEOSA-N 447.343 6.014 30 10 IKEE COc1c(Cl)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)c2ccccc2Cl)n1 1872778877 WPWMNQCMOAELJQ-CYBMUJFWSA-N 437.735 6.269 30 10 IKEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)c3ccccc3Br)n2)cc1C 1872788172 WLWLYLBUVAOMGG-INIZCTEOSA-N 441.350 5.688 30 10 IKEE COc1ccc(/C=N/Nc2ccc(Br)cc2)cc1OCc1ccc(Cl)cc1 1873498696 DCAWUZIVNLMPFM-ZMOGYAJESA-N 445.744 6.136 30 10 IKEE CCCCOc1ccccc1/C=N/Nc1cnn(-c2cccc(Cl)c2)c(=O)c1Cl 1873526466 GUQDOBQLWBZMRW-ZMOGYAJESA-N 431.323 5.164 30 10 IKEE CSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccccc1OC(C)C 1874233562 PAIZHPRTYLEANL-YZSQISJMSA-N 430.577 5.608 30 10 IKEE CCSc1nnc(CCCOc2ccccc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874316796 KXOKJDAUUJIDBE-MFKUBSTISA-N 434.487 5.303 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3C)n2/N=C/c2cccs2)cc1C 1874320079 YNGUQSLGFALVOK-AFUMVMLFSA-N 448.617 6.018 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3F)n2/N=C/c2ccncc2)c(C)c1 1874327166 ABCMPJFKKIZQOR-MZJWZYIUSA-N 447.539 5.183 30 10 IKEE C=CCSc1nnc(CCc2cccs2)n1/N=C/c1ccc(OCCCCC)cc1 1874371227 PCGLHIZZVHATPA-HKOYGPOVSA-N 440.638 5.854 30 10 IKEE CCCSc1nnc(CCc2ccccc2)n1/N=C/c1ccc(Br)cc1 1874404650 ITPLHRFKPXKTTE-PXLXIMEGSA-N 429.387 5.210 30 10 IKEE Fc1ccccc1/C=N/n1c(Cc2ccccc2)nnc1SCc1ccccc1Cl 1874417117 ZACSBYBZSRQTHJ-CVKSISIWSA-N 436.943 5.836 30 10 IKEE Cc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2c(F)cccc2Cl)cc1 1874441910 MLSOPWHUSYRXMF-DHRITJCHSA-N 430.980 6.142 30 10 IKEE Cc1ccc(C)c(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2cn(C)c3ccccc23)c1 1874446038 REKLOQIODBLGDZ-XHEHIBSSSA-N 445.592 5.413 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SCCC)nnc2-c2ccco2)cc1OC 1874468075 QBGCQNCETFFSNV-XQNSMLJCSA-N 428.558 5.500 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C(C)(C)C)cc1 1874485848 PELIPKXEACJSCO-DHRITJCHSA-N 447.435 6.619 30 10 IKEE CC(C)Cc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1c[nH]c2ccccc12 1874491827 KYQCEUNWXIXCLF-RPPGKUMJSA-N 441.963 5.925 30 10 IKEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2cccc3ccccc23)cc1 1874512347 SRDLHCFJRKNMAR-CVKSISIWSA-N 443.576 5.476 30 10 IKEE O=[N+]([O-])c1ccc(CSc2nnc(C3CC3)n2/N=C/c2ccc(Cl)c(Cl)c2)cc1 1874518224 IPKZSFHVHAFISG-LSHDLFTRSA-N 448.335 5.545 30 10 IKEE CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccccc1C(=O)O 1874528062 QORLNHYRSHAKFU-LSHDLFTRSA-N 435.336 5.020 30 10 IKEE CCOc1c(/C=N/n2cnnc2SCc2ccc(Cl)c(Cl)c2)cccc1OC 1874540698 WFEMUDITJJOQHX-AUEPDCJTSA-N 437.352 5.167 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2cccc(F)c2)cc1Cl 1874590565 FKKVZPLXYAPGNK-PKNBQFBNSA-N 426.871 5.971 30 10 IKEE COC(=O)c1ccc(COc2ccccc2/C=C/C(=O)c2ccc(OC)c(Cl)c2)o1 1874591097 RTJKBLQWVYMOSK-JXMROGBWSA-N 426.852 5.203 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cccc(OCC(=O)Nc2ccccc2C)c1 1874599313 HAQHVHNMTWHORM-OUKQBFOZSA-N 429.516 5.534 30 10 IKEE COc1ccccc1C(=O)/C=C/c1ccc(OCc2ccc(C)cc2)c(Br)c1 1874611364 JTKPLROWZSHALG-ACCUITESSA-N 437.333 6.241 30 10 IKEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(F)cc3F)cc2Cl)o1 1874611382 GSYQKORBHOPCQY-FARCUNLSSA-N 432.806 5.473 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Br)c1OCc1cccc(F)c1 1874614328 FXHQUPTYFUSIEG-ZHACJKMWSA-N 441.296 6.072 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OCc1ccccc1C 1874618659 MHAGAPPSOAMLNP-CCEZHUSRSA-N 426.556 6.824 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2cc(OC)c(OCc3ccc(C)cc3)c(OC)c2)c1 1874619350 WHTRVLVNTVGOHA-ZRDIBKRKSA-N 448.515 5.505 30 10 IKEE COc1c(Br)cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1Br 1874634099 LJCHZLMOPNOKLM-AATRIKPKSA-N 438.159 6.042 30 10 IKEE COc1cccc(C(=O)/C=C/c2cccc(OC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)c2)c1 1874695051 IWHJKRCDISVPSD-GOHHFNLLSA-N 432.903 5.954 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1OC(=O)c1ccc(N(C)C)cc1 1874704299 HEFQPJUGOLDMAC-NTUHNPAUSA-N 445.515 5.194 30 10 IKEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)C34CC5CC(CC(C5)C3)C4)c2)c(C)c1C 1874711932 LMQGIVNFHQYROH-VQHVLOKHSA-N 444.571 6.330 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1cncc(C)c1 1875098612 FZNWIOPVSUINOJ-YRNVUSSQSA-N 427.500 5.393 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3ccccc3F)c(OC)c2)cc1 1875103821 QSLNBVJNSVNXPV-JLHYYAGUSA-N 438.882 6.165 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc4ccccc4n3C)cc2)cc1 1875106684 GEKAHQZJACASHM-XMHGGMMESA-N 437.539 6.636 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3cccc(C)c3C)c(OC)c2)cc1 1875115265 VIYCFYFVXLSOLS-RIYZIHGNSA-N 446.499 5.201 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OCC(C)C)cc3)c(Cl)c2)cc1 1875133175 IHJNWTIHYYHTMC-MKMNVTDBSA-N 448.946 6.799 30 10 IKEE CCc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] 1875135845 KIFRWIKADPTWDE-GXDHUFHOSA-N 445.471 5.346 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1ccc(CC)cc1 1875164028 OWERWFUOHHLJRO-NTUHNPAUSA-N 436.454 6.041 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)cc(OC)c1OC(=O)CC 1875188287 RVYZZYWDEUGICX-CMDGGOBGSA-N 449.330 5.951 30 10 IKEE CC1(C)C[C@](C#N)([C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CO1 1875631970 CZHIHBDGTUCRPW-IXCJQBJRSA-N 443.543 5.587 30 10 IKEE CC(C)[C@H]1CC=C(C(=O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CC1 1875634008 PZLUHPIERSULDM-VWLOTQADSA-N 440.583 7.410 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2cccc(C)c2Br)cc1 1927306364 ZKHGWAAWXZNGIW-GOSISDBHSA-N 431.330 5.773 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 1943914679 CEXKEDOSUVTQLW-DVECYGJZSA-N 435.609 5.676 30 10 IKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 1949562427 ZAMWEYZTYFKBEB-HOYKHHGWSA-N 435.609 5.628 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@H](C#N)c1nc(Br)cs1 1950105948 HRKNTBXMWLKKSB-GFCCVEGCSA-N 428.739 5.565 30 10 IKEE CC(C)(C)OC(=O)Nc1c(Br)cc(Br)cc1C1(C#N)CCC1 1951511967 ZLCZOLNKLDRYFB-UHFFFAOYSA-N 430.140 5.504 30 10 IKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@H](CNC(=O)OC(C)(C)C)CC(C)C)c1 2033648792 IUHANJVNDWRSNA-FPOVZHCZSA-N 445.604 5.816 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@@]1(C#N)C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2033850093 ZTRLMCVHCWFRMF-MWZSMPGESA-N 435.543 5.657 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1C[C@H]2CC[C@H]1CN(C(=O)OC(C)(C)C)C2 2053004878 WECCNIGSQRRFOR-WSOYEBOPSA-N 442.644 5.411 30 10 IKEE CCC(=O)/C=C/c1cc(Br)c(OCc2cccc3ccccc23)c(OC)c1 2060406244 OACAABBBPNUBNV-VAWYXSNFSA-N 425.322 6.182 30 10 IKEE Cc1ccc([C@@H](C2CC2)n2nc(C3CCC3)c(C#N)c2I)cc1C 2079127930 WXVLNRYWNOPHOB-LJQANCHMSA-N 431.321 5.243 30 10 IKEE CC(C)[C@@H](c1ccc(C(F)(F)F)cc1)n1nc(C2CCC2)c(C#N)c1Br 2079873483 PKUMHLDXFKEKGA-KRWDZBQOSA-N 426.280 6.049 30 10 IKEE CC(C)[C@@H](c1ccc(C(F)(F)F)cc1F)n1nc(C2CC2)c(C#N)c1Br 2079896431 ITFFCYDDQHKXDS-INIZCTEOSA-N 430.243 5.798 30 10 IKEE CCc1nn([C@H](c2ccc(C3CCC3)cc2)C2CC2)c(I)c1C=NO 2079906856 BFQFQIJVAPTJEV-LJQANCHMSA-N 449.336 5.125 30 10 IKEE CC[C@@H]1C[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)C[C@](C#N)(NC2CC2)C1 2118767342 RZKHUQPWAMSREE-SUHSUELASA-N 444.667 5.214 30 10 IKEE C=C(F)C[C@H](NCCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2126111257 PQKZDCAMTDXOTL-ZWKOTPCHSA-N 429.374 5.126 30 10 IKEE N#Cc1cc(F)c(N[C@@H]2CN(Cc3ccccc3)C3(CCCC3)C2)cc1Br 2154521270 VTZWCGALVYSAMD-SFHVURJKSA-N 428.349 5.459 30 10 IKEE CCCN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(Br)cc1C#N 2174815788 XFBGAMKPQSNXFM-INIZCTEOSA-N 436.394 5.184 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](CNc2cccc(Br)c2C#N)CC12CCC2 2176864093 YQOYFABACKEJDE-OAHLLOKOSA-N 434.378 5.302 30 10 IKEE CC(C)(C)OC(=O)N1C[C@H](CNc2cccc(Br)c2C#N)[C@H]2CCCC[C@@H]21 2179391320 BKFBIDMLTINFJJ-KHYOSLBOSA-N 434.378 5.158 30 10 IKEE C=CCCCCCCC[C@@H](O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2214620082 DXDHOTOGHFQWHZ-BVAGGSTKSA-N 430.633 5.433 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](CCC(=O)C#Cc2ccccc2Br)C1 2235717265 IYWMLQQZHGJRRL-FUHWJXTLSA-N 434.374 5.233 30 10 IKEE CCCC#C[C@H](NCCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237425649 VFKBXTPGUFJWJQ-VQTJNVASSA-N 437.422 5.057 30 10 IKEE C=CCCC1([C@@H](NC)c2cc(Cl)cc(Cl)c2Cl)CN(C(=O)OC(C)(C)C)C1 2281056165 OJIBMUGIDRUDEI-KRWDZBQOSA-N 433.807 6.111 30 10 IKEE CC1(C)CCC(CNc2c(Br)cccc2C#N)(NC(=O)OC(C)(C)C)CC1 2285186477 QOKLZWWEZPUIJE-UHFFFAOYSA-N 436.394 5.596 30 10 IKEE CN[C@H](C#Cc1cccc(Br)c1)c1cccc(N(C)C(=O)OC(C)(C)C)c1 2296273393 OOHJBOUNRLCAGQ-HXUWFJFHSA-N 429.358 5.133 30 10 IKEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc([C@H](N)C#Cc2ccc(Br)cc2)cc1 2296301540 VRWBFHDRDZYSGO-FOIQADDNSA-N 429.358 5.086 30 10 IKEE COc1ccc(OC)c(C=C2SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)c1 2296373940 GXMBUPUSJQJUTO-UHFFFAOYSA-N 430.529 5.508 30 10 IKEE O=C1C(=Cc2cc(Cl)cc3c2OCOC3)Oc2cc(OCC=Cc3ccccc3)ccc21 2296640559 YGYWXFZFWTVZJZ-UHFFFAOYSA-N 446.886 5.915 30 10 IKEE O=C1C(=Cc2ccc(-c3ccccc3)cc2)CCCC1=Cc1ccc(-c2ccccc2)cc1 2297169427 MXKYVDMQCYMRGK-UHFFFAOYSA-N 426.559 8.241 30 10 IKEE CC(=NNc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccc(Br)cc1 2297707624 FVURSRYHKVPRHL-UHFFFAOYSA-N 444.336 5.804 30 10 IKEE C=CCOC(=O)C=Cc1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1 2314013911 FPZZZMJGSSDEMB-UHFFFAOYSA-N 437.717 5.433 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3)n2N=Cc2ccccc2F)c1 2318571531 MOZKSESXHQYHLL-UHFFFAOYSA-N 430.552 5.799 30 10 IKEE C=CCOc1ccccc1C=Nn1c(CC)nnc1SCc1cccc2ccccc12 2321028617 XZVXWGHCAYMNNH-UHFFFAOYSA-N 428.561 5.733 30 10 IKEE CC(C)(C)c1ccc(C=C2Oc3c(ccc4c3CN(Cc3cccnc3)CO4)C2=O)cc1 2321968703 HGRUZNKSZYUEEB-UHFFFAOYSA-N 426.516 5.347 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O3)CN(C1CCCCC1)CO2 2322016405 YVZZIAVLMSBETD-UHFFFAOYSA-N 444.358 6.403 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1c(F)cccc1Cl)C3=O)CN([C@@H]1CCCC[C@H]1C)CO2 2322391809 OLVGWSOABWHPCH-SPLOXXLWSA-N 441.930 6.134 30 10 IKEE Cc1ccc(C)c(COc2ccc(Br)cc2C=CC(=O)c2cc(C)ccc2C)c1 2322615700 MPBGUWNNRNIYMG-UHFFFAOYSA-N 449.388 7.158 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(Cl)cc(OC)c1OCc1ccccc1C 2322643135 URSXEFXSVMCXNA-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE Cc1cc(OC(=O)C2CCCCC2)cc2c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O2 2322747956 PKAJOVITFMDFJI-UHFFFAOYSA-N 431.315 6.404 30 10 IKEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccccc2F)c(C)c1C 2322815546 KZEDMVUYKALTOZ-UHFFFAOYSA-N 433.479 5.365 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OC(=O)Cc4ccc(Cl)cc4)c3C)C2=O)cc1 2322900988 VFWRDDRUEZPZQT-UHFFFAOYSA-N 432.903 5.975 30 10 IKEE COc1cccc(C=CC(=O)c2cc(Cl)cc(C)c2OC)c1OCCc1ccccc1 2322942306 QYJSTEKQTCYBDO-UHFFFAOYSA-N 436.935 6.183 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2cccc(OC)c2OCc2ccc(Cl)cc2)cc1C 2322999080 ZWEUZKHELMLGJG-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE Cc1ccccc1C=C1Oc2cc(OC(=O)CCc3ccc(Cl)cc3)cc(C)c2C1=O 2323114490 NZHYYVRNMHBDMQ-UHFFFAOYSA-N 432.903 6.111 30 10 IKEE COc1cc(C(=O)C=Cc2cccc(OCc3ccccc3F)c2)c(OC)cc1Cl 2323273862 KOXYBUWCVXRNCF-UHFFFAOYSA-N 426.871 5.971 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccc(C)cc1 2323533244 ZEOVVYVIXPFJED-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OCC(=O)NC1CCCCC1 2323777621 LYKLOZFHSPAPJG-UHFFFAOYSA-N 427.928 5.072 30 10 IKEE COc1ccc(C=NNc2nc(-c3ccc(C)c(C)c3)cs2)c(Br)c1OC 2323840527 NGQXZXORTOXYKW-UHFFFAOYSA-N 446.370 5.653 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3)c([N+](=O)[O-])c2)c(C)c1 2323858198 QSHOIXOTWRCULB-UHFFFAOYSA-N 430.460 5.125 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OCc1cc(C)ccc1C 2323909235 XZGSKVDGJOCUMX-UHFFFAOYSA-N 434.963 7.139 30 10 IKEE O=C1C(=Cc2c(Cl)cccc2Cl)Oc2cc(OCCCc3ccccc3)ccc21 2324265946 IKYKHLBNWXRUBI-UHFFFAOYSA-N 425.311 6.621 30 10 IKEE COc1ccc(OC)c(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)c1 2324357075 QFZSPABHDAHLRY-JOCHJYFZSA-N 444.556 5.596 30 10 IKEE COc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccccc1C)C2=O 2324474104 MWQHNPUSYFLAGE-GOSISDBHSA-N 443.499 5.334 30 10 IKEE N#C[C@H](C(=O)C=Cc1ccc(Cl)cc1Cl)c1nc(-c2c[nH]c3ccccc23)cs1 2324672806 PQZAXWYDENNYDL-MRXNPFEDSA-N 438.339 6.488 30 10 IKEE CCOc1ccccc1NC(=O)COc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O 2324893452 GMXVXEOJFLEZCM-UHFFFAOYSA-N 441.483 5.275 30 10 IKEE CCOCCOC(=O)[C@H](C)Oc1ccc2c(c1C)OC(=Cc1ccc(C(C)C)cc1)C2=O 2325074191 QHPWBQYPMZPQPY-SFHVURJKSA-N 438.520 5.082 30 10 IKEE CCCN(CCC)C(=O)COc1ccc2c(c1)OC(=Cc1c(Cl)cccc1Cl)C2=O 2325196258 DHSXNVJOZFUPIM-UHFFFAOYSA-N 448.346 5.637 30 10 IKEE Cc1ccc(NC(=O)CCOc2ccc3c(c2C)OC(=CC=Cc2ccccc2)C3=O)cc1 2325232215 VMDKTHMXDFUVRU-UHFFFAOYSA-N 439.511 5.883 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3cc(OCc4ccccc4C#N)cc(C)c3C2=O)cc1 2325357944 YZOVWJMBBSZCDX-UHFFFAOYSA-N 438.527 5.908 30 10 IKEE COc1ccc(C)cc1NC(=O)CCOc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O 2325471059 ZVRDRLIYJUMUCI-UHFFFAOYSA-N 447.462 5.167 30 10 IKEE CCc1nnc(SCc2cccc3ccccc23)n1N=Cc1cc(OC)ccc1OC 2325603911 PZZADXNLJNDVMM-UHFFFAOYSA-N 432.549 5.185 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)COc3ccc(C)c(C)c3)c2)cc1 2325718293 SWROWSRSHDCREA-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE COc1cccc(C=C2Oc3cc(OCC(=O)Nc4cc(C)ccc4C)cc(C)c3C2=O)c1 2325740671 XSGRSKQVCYHNNH-UHFFFAOYSA-N 443.499 5.254 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(F)cc3F)c2)c(C)c1C 2325755504 KOBTVIZJKXWMHU-UHFFFAOYSA-N 436.454 5.634 30 10 IKEE COc1cccc(CCC(=O)Oc2cccc(C=CC(=O)c3c(C)cc(C)cc3C)c2)c1 2325764858 UWYKSBDZFFKDHG-UHFFFAOYSA-N 428.528 6.055 30 10 IKEE C=C(C)CSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc(C(C)C)cc1 2327956742 GSDGABGGLUTMOB-UHFFFAOYSA-N 439.028 6.391 30 10 IKEE COc1cccc(CCc2nnc(SCc3ccccc3C)n2N=Cc2ccco2)c1 2328607752 RINCYXJDERVZEB-UHFFFAOYSA-N 432.549 5.148 30 10 IKEE CCCSc1nnc(COc2cccc(C)c2C)n1N=Cc1cccc2ccccc12 2328858098 BWMJYUYWJBXGAU-UHFFFAOYSA-N 430.577 6.011 30 10 IKEE Cc1ccc(OCc2nnc(SCc3cc(C)ccc3C)n2N=Cc2ccc[nH]2)c(C)c1 2328897886 DFEQDIHNXLDPDS-UHFFFAOYSA-N 445.592 5.593 30 10 IKEE Cc1cccc(CSc2nnc(Cc3ccc(Cl)cc3)n2N=Cc2cccs2)c1 2329082313 MBSFNRZRHKMWFR-UHFFFAOYSA-N 439.009 6.067 30 10 IKEE O=[N+]([O-])c1ccc(C=Nn2c(Cc3cccs3)nnc2SCCc2ccccc2)cc1 2330398866 ZKIAOVQFHGUBGU-UHFFFAOYSA-N 449.561 5.056 30 10 IKEE Oc1ccc(Cl)cc1C=Nn1c(SCc2ccc(F)cc2)nnc1-c1ccccc1 2330641052 DVYQVXUYEJCMBD-UHFFFAOYSA-N 438.915 5.618 30 10 IKEE COc1ccccc1C=Nn1c(SCc2ccccc2Cl)nnc1C1CCCC1 2331076174 MDDLBCBWIGHEOP-UHFFFAOYSA-N 426.973 5.772 30 10 IKEE O=[N+]([O-])c1ccccc1C=Nn1c(SCc2ccccc2Cl)nnc1C(F)(F)F 2331138271 YFOOATMZFMWLQI-UHFFFAOYSA-N 441.822 5.033 30 10 IKEE O=C(COc1ccc(Cl)cc1)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1 2331138407 GXFKFQHDTUNNDF-UHFFFAOYSA-N 427.283 5.874 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C(C)(C)C)c1 2331404679 XACMJSAPMZKHNT-UHFFFAOYSA-N 443.016 6.192 30 10 IKEE COc1ccccc1C=Nn1c(CC(C)C)nnc1SCc1ccc(Cl)c(Cl)c1 2331470686 DAXJNGZPFVDJGM-UHFFFAOYSA-N 449.407 5.967 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc3ccccc23)cc(OC)c1OC(=O)C1CCCC1 2331484984 HKZSUQZUFJIONS-UHFFFAOYSA-N 440.539 6.569 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(F)cc2)cc1Br 2331527704 RQAQIRXRNFBHJY-UHFFFAOYSA-N 433.317 6.360 30 10 IKEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)c1cccc(C)c1 2331657638 LWBMANVGQZPSET-UHFFFAOYSA-N 428.528 6.353 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)cc3F)cc2)cc1C 2331835307 JEBOHVVCBMDRIU-UHFFFAOYSA-N 436.454 5.634 30 10 IKEE C=CCc1cc(C=CC(=O)c2cc(Cl)ccc2OC)cc(OC)c1OC(=O)C1CC1 2331883130 FYQXYJCVYIFTPX-UHFFFAOYSA-N 426.896 5.297 30 10 IKEE CC[C@H](C)[C@H](COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339580659 FCHGBUTWATYSAF-HKUYNNGSSA-N 446.397 5.044 30 10 IKEE CCCCCCCCCCOc1cc(NC(=O)OC(C)(C)C)ccc1Br 2344293118 OQMFHEVKLOFOOH-UHFFFAOYSA-N 428.411 7.316 30 10 IKEE C=CCCCCC[C@H](NCC)[C@H](O)c1sc(Cl)cc1I 2366672175 KMICGBMFDKOYHT-JSGCOSHPSA-N 427.779 5.154 30 10 IKEE COc1ccc(C(=O)[C@@H]2[C@@H](c3cccs3)C(C#N)(C#N)[C@H]3c4ccccc4C=CN23)cc1 16034448 YMCXLLPIHSKVQS-GIFXNVAJSA-N 437.524 5.167 30 10 IKEE CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3Cl)nn1[C@@H]2c1cc[nH]c1 19630947 KZQJUNYAJLLCNF-LJQANCHMSA-N 439.972 5.210 30 10 IKEE Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(O)c([N+](=O)[O-])c2)cc1 21218359 KZCSKTPJXRONOA-QYBDOPJKSA-N 441.487 5.588 30 10 IKEE CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2c(F)cccc2Cl)cc1 21247721 GJCFSJAJEYSPIH-RDJZCZTQSA-N 425.931 5.781 30 10 IKEE C=Cc1ccc(COc2ccc3c(c2)O/C(=C\c2ccc(Br)cc2)C3=O)cc1 33367523 JYTUPGJIEZGABJ-QRVIBDJDSA-N 433.301 6.287 30 10 IKEE CCCN(CCC)Cc1c(O)ccc2c1O/C(=C/c1ccc(-c3ccccc3)cc1)C2=O 37858011 UGOZTJDWKQPOEB-NLRVBDNBSA-N 427.544 6.297 30 10 IKEE CCCCOc1ccc(/C=C2\S/C(=N/c3cccnc3Cl)N(CC)C2=O)cc1OC 39863819 AHYPKQXGCLFRLT-ORONYANGSA-N 445.972 5.546 30 10 IKEE C=CCN1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)S/C1=N/c1nc(C)cs1 39865382 UIAZUMWGEDRCNB-JTNUTMTLSA-N 441.965 6.155 30 10 IKEE COC(=O)c1ccc(COc2cc(C)c3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 41502201 DDFZFNIRESTACF-FYPXMSKISA-N 426.468 5.533 30 10 IKEE Cc1ccc(NC(=O)c2cnn3c2NC2=C(C(=O)CCC2)[C@@H]3c2cccc(Cl)c2)cc1C 64874263 GJBWFJYMGUYKTH-QHCPKHFHSA-N 446.938 5.428 30 10 IKEE CCCCCCCCCCCCCCCCNC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 100205702 RGCVCQQCXWNGCU-VWLOTQADSA-N 445.732 8.349 30 10 IKEE CCCCCCCCCCCCCCCCCCn1c(CCO)nc2cc(C)c(C)cc21 102248712 RUPWIZPWUUSMJN-UHFFFAOYSA-N 442.732 8.449 30 10 IKEE O=C1/C(=C\c2cccs2)Oc2cc(OC(=O)N(c3ccccc3)c3ccccc3)ccc21 103022300 UZVVTXSERABMND-JJIBRWJFSA-N 439.492 6.701 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccc(OC)c2)cc1 169937076 RRSQSGWABQZSRE-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE COc1cc(/C=N\Nc2nc(C)c(C)s2)cc([N+](=O)[O-])c1OCc1cccc(C)c1 169943256 HGUPDSUQIJHXIP-JJFYIABZSA-N 426.498 5.010 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]2c2cccnc2)cc1 170008989 XBQRBPPEYIKHOF-JOCHJYFZSA-N 448.906 5.225 30 10 IKEE CCCCCCCCCCN1C(=O)C(c2ccc(C)cc2)=C(N2CCc3ccccc32)C1=O 170076983 YLAAPCZQECUZOU-UHFFFAOYSA-N 444.619 6.278 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cccc(C)c1 170148398 JGBOLYFUSAHCFI-NRFANRHFSA-N 425.912 5.178 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2cccs2)cc1C 170157802 PXGAPUUENJANHF-JOCHJYFZSA-N 449.528 5.247 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2cccs2)cc1C 170158042 PVHPQYMCZBENTJ-HXUWFJFHSA-N 434.473 5.056 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2cccs2)cc1 170158088 BMILJOLJLBUSGJ-HSZRJFAPSA-N 447.556 5.937 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@@H]1c1ccncc1 170200233 DUPUSRSJYZFHKL-JOCHJYFZSA-N 448.906 5.143 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccncc2)cc1C(C)(C)C 170209238 OKMTWBXIUPNGAU-HSZRJFAPSA-N 448.563 5.299 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1ccc(OCC)cc1 170213560 SUXGQIKXLLSTOL-QHCPKHFHSA-N 437.536 5.251 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2O)[C@@H]1c1ccccc1 170227707 DQSGMJYPHQCVGN-HSZRJFAPSA-N 443.499 5.109 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2OC)[C@H]1c1ccc(Cl)c(Cl)c1 170246588 WDNSLTVZDZRMBQ-LJQANCHMSA-N 434.319 5.299 30 10 IKEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3OC)=C(O)C(=O)N2C2CCCCC2)cc1 170266563 KBWPZOBYSNOOFV-XMMPIXPASA-N 449.547 5.177 30 10 IKEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1ccco1 170295569 NUOAFGYFEQIYEX-FQEVSTJZSA-N 443.883 5.073 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2ccco2)cc1C 170297234 SFZHGFCYIHSMAT-XMMPIXPASA-N 445.515 5.300 30 10 IKEE CC(C)Oc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 170348793 SIHGFBMANBTVGI-XMMPIXPASA-N 438.483 5.128 30 10 IKEE CCCCCCCOc1ccc(SC(=O)c2ccc(CCCCCCC)cc2)cc1 205893639 ZDIKLDKHFCVWAA-UHFFFAOYSA-N 426.666 8.481 30 10 IKEE Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(CC3CCCCC3)C2=O)c(C)c1 252600957 DWKRQECERAXCQG-HSZRJFAPSA-N 449.620 5.844 30 10 IKEE CCn1c2ccccc2c2cc(C=Nn3c(C)nc4sc5c(c4c3=O)CCCC5)ccc21 254484865 PGMGAXSKEXSUDP-UHFFFAOYSA-N 440.572 5.655 30 10 IKEE CC(=NOCC(=O)N(CCc1ccccc1)Cc1ccccc1)c1cc2ccccc2o1 254751470 KMUYFIQEJOIJCP-UHFFFAOYSA-N 426.516 5.445 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(/C=C/C(=O)Cc2ccc(F)cc2Br)cc1 405923675 HZAAUMDWDNFZHL-IZZDOVSWSA-N 434.305 5.760 30 10 IKEE CCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2c[nH]c3ccccc23)c1 526514111 BWVPHADATCQBFJ-RUZDIDTESA-N 435.483 5.495 30 10 IKEE COc1ccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccccc2)cc1 526800846 YHQCQIFAPMZPDG-ITYLOYPMSA-N 428.561 5.246 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccc(OC)cc1OC 526807786 CDCRQIZDHFMWCR-OYKKKHCWSA-N 444.988 5.466 30 10 IKEE COc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccc(Cl)cc2)cc1 526807800 CMZMOHRAOWRQDW-QQXSKIMKSA-N 448.979 5.705 30 10 IKEE CCCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1ccc(Cl)c(Cl)c1 526809548 NQSAAQNNRZIJIR-MXAYSNPKSA-N 447.435 6.719 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1cccc(OC)c1 526813760 IQJUTZVNDPIVIV-FMCGGJTJSA-N 435.380 5.721 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1cccc(OC)c1OC 526816561 JIOQIPQSMUTADL-OYKKKHCWSA-N 444.988 5.466 30 10 IKEE Cc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2ccc(C(F)(F)F)cc2)cc1C 586209931 JZVXIBDZNDWQLP-UHFFFAOYSA-N 444.478 5.589 30 10 IKEE C=CCCN(c1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccc(OC(C)C)cc1 586257316 ZTWGDROOVGEATO-UHFFFAOYSA-N 428.598 5.236 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)CC1 704052057 VKAYCLGXNJWHJR-XMMPIXPASA-N 435.609 5.630 30 10 IKEE COc1ccc(Cl)cc1/C=C1\SC(=Nc2ccccc2)N(C2CCCCC2)C1=O 725400855 NUOJNZDPURANQI-XOLKAKTPSA-N 426.969 6.285 30 10 IKEE Oc1ccccc1N/C(=N/CC1CCCCC1)NCc1cc(Br)ccc1F 1088735466 RDEQQSMYYVWOPO-UHFFFAOYSA-N 434.353 5.432 30 10 IKEE CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)O/C(C(=O)c1ccccc1)=C(/O)c1ccccc1 1615217120 RRTJCTUJMZJJJD-WPCFFEEUSA-N 431.315 5.931 30 10 IKEE C=CC[C@@H](Cc1ccccc1)NC(=O)CNc1nc(C)nc2sc(-c3ccccc3)cc12 1626324688 IZSGSVVRQCHIQX-NRFANRHFSA-N 442.588 5.382 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=Nc1cccnc1 1772730489 CYJDAFVCRCONCJ-JGBPVPSRSA-N 432.461 5.040 30 10 IKEE C/C(=C1\SC(=Nc2cccnc2Cl)N(C2CCCCC2)C1=O)c1ccc(N)cc1 1772732935 HXELFZJRKGVZTJ-SVKNRIHUSA-N 426.973 5.644 30 10 IKEE Cc1cccc(N=C2S/C(=C\C(Cl)=C/c3ccccc3)C(=O)N2C2CCCCC2)n1 1772736108 KLFOTPFAZZCSDO-KPMYJJLISA-N 437.996 6.449 30 10 IKEE Cc1ccccc1/C=C1/SC(=NN=C/C=C/c2ccccc2)N(Cc2ccco2)C1=O 1772758757 CTUFJOPURQYXAN-HMGNMUFRSA-N 427.529 5.760 30 10 IKEE O=C1/C(=C\c2ccc(O)cc2)SC(=NN=C/C=C\c2ccccc2)N1Cc1ccco1 1772758883 GSIBOBZPACPVGE-QURYOAJMSA-N 429.501 5.157 30 10 IKEE Cc1cc(-n2ncc(C#N)c2NC(=O)CCCc2ccc(Cl)cc2)nc2c(C)cccc12 1859657048 OUUYHTHAJDECGK-UHFFFAOYSA-N 443.938 5.524 30 10 IKEE COc1cccc(N(CC(F)(F)F)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 1860395259 FZVHMNKDNOYMQQ-UHFFFAOYSA-N 445.281 5.942 30 10 IKEE O=C(/C=C/c1ccccc1C(F)(F)F)C(=O)Nc1ccc(OCc2ccccc2)cc1 1860726507 YSFQFCDTSWTXQW-XNTDXEJSSA-N 425.406 5.505 30 10 IKEE CCCCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccccc1 1861823166 WZJRAWNMLNCELR-SANMLTNESA-N 436.640 5.604 30 10 IKEE C=CCN(CC=C)C(=O)c1cc(-c2c(F)cc(F)cc2F)n(-c2cccc(Cl)c2)n1 1862343531 BSNGTLHGVHTNMA-UHFFFAOYSA-N 431.845 5.424 30 10 IKEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C2CC2)cc1 1862383427 OPIUGDJZPFHBRK-HXUWFJFHSA-N 444.358 6.032 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1cccc(C)c1 1862412351 BUCSVTYKYCTXHW-XXBNENTESA-N 441.518 6.210 30 10 IKEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(C(C)C)cc1 1862414762 IIKWLDRGQRGNKA-JOCHJYFZSA-N 443.490 5.092 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(Br)c1 1862452832 LQGUSAKHPZPOGY-KRWDZBQOSA-N 434.717 5.091 30 10 IKEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2)cc1 1862475431 LJQUIISXJILDLS-UUOWRZLLSA-N 427.500 5.343 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(F)cc1F 1862545535 CGCGZDCBVKBMMH-QFIPXVFZSA-N 425.475 5.222 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(F)cc1F)c1ccc2c(c1)CCCC2 1862545666 FZRAMHPJWSNYAP-HSZRJFAPSA-N 449.453 5.215 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2cccc(Cl)c2)c1 1862561106 QJOCREAIHXBIHJ-JOCHJYFZSA-N 438.955 5.613 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(F)cc1 1862590555 LBWJZXXHOKZFLZ-QFIPXVFZSA-N 425.500 5.470 30 10 IKEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 1862620314 POSAEDYVGQKIBQ-MHECFPHRSA-N 447.619 6.658 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862661614 WLPCSNPTNIHLDM-AREMUKBSSA-N 443.587 6.587 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(Cl)c2)c1 1862675354 IRZMNEDHOAIYSH-JOCHJYFZSA-N 435.882 5.566 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2CCO)cc1 1862726847 QAJKKWLVGZCJLS-VWLOTQADSA-N 441.527 5.048 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(Cl)cc3)C2=O)cc1C 1862792199 HOQMZGNNYXIWII-UHFFFAOYSA-N 427.891 5.225 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(F)cc2F)C1=O 1862936554 SVVBPABAZPDTDB-UHFFFAOYSA-N 449.844 5.195 30 10 IKEE Cc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(OC(C)C)cc3)C2=O)cc1 1862986825 HZIJJLDSJDKKKJ-UHFFFAOYSA-N 437.499 5.051 30 10 IKEE CCCCCCCCCCN1C(=O)C(NCCCCC)=C(c2c[nH]c3ccccc23)C1=O 1863816826 GDTZJZXIEDPOIL-UHFFFAOYSA-N 437.628 6.168 30 10 IKEE CC(C)[C@@H](CC(=O)N[C@@H](C(=O)Nc1ccc(C#N)cc1)c1ccccc1)c1ccc(F)cc1 1866749752 YEOCBKRITZZTCS-AOYPEHQESA-N 443.522 5.323 30 10 IKEE CCCCCCCCC(=O)N1CC(Oc2ccc(C(=O)Nc3ccccc3CC)cc2)C1 1869903257 DYIOOQLIXQSYDV-UHFFFAOYSA-N 436.596 5.842 30 10 IKEE C=CCOc1cn(CCCCC)c(CSc2nc3ccc(OC(F)F)cc3[nH]2)cc1=O 1870245898 JQPYLYQIKALVLB-UHFFFAOYSA-N 449.523 5.373 30 10 IKEE C=CCn1cc(OCc2c(C)cccc2C)c(=O)cc1CSc1nc2ccccc2s1 1870278904 WBPGJWGTHHDOQS-UHFFFAOYSA-N 448.613 6.132 30 10 IKEE CCCCCCCOc1cn(CCCCN2CCCC2)c(CN(C)CCCC)cc1=O 1870413943 AHOBQPSYRIAGTL-UHFFFAOYSA-N 433.681 5.305 30 10 IKEE C=CCn1cc(OCc2c(C)cc(C)cc2C)c(=O)cc1CNc1ccc2[nH]ncc2c1 1870802889 ORANGOODFLOCOY-UHFFFAOYSA-N 428.536 5.027 30 10 IKEE C=CCn1cc(OCc2ccccc2)c(=O)cc1CNc1ccc(-c2ccccc2C)cc1 1870894435 AHVAIMQSLWMQLM-UHFFFAOYSA-N 436.555 6.201 30 10 IKEE C#CCOc1cn(Cc2ccccc2)c(CNc2ccc(OCCCCCC)cc2)cc1=O 1871006617 OJRDFJRWYYHDQV-UHFFFAOYSA-N 444.575 5.480 30 10 IKEE CC(C)CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(N(C)C)cc1 1871252184 OEYFIIIERNBSON-UHFFFAOYSA-N 444.579 5.023 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/C=C/c1ccccc1)O3)CN(Cc1nc3ccccc3[nH]1)CO2 1871347268 KXMBYZIXVLAFPF-LZNIEJQKSA-N 449.510 5.396 30 10 IKEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O3)CN(CCC1=CCCCC1)CO2 1871349449 MSUDJDMOJLFINJ-QQXSKIMKSA-N 443.587 6.777 30 10 IKEE CC(C)COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)c1 1871378849 CJPWQRMFGGFTRS-LQPYYSGTSA-N 440.495 6.113 30 10 IKEE Cc1ccc(/C=C2\Oc3c(ccc(O)c3CN(C3CCCCC3)C3CCCCC3)C2=O)o1 1871392939 DQAHATCVAFGTHJ-XYGWBWBKSA-N 435.564 6.377 30 10 IKEE C[C@@H](Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O)C(=O)Nc1ccccc1 1871404011 GIWRSNVYDXNYSD-BXSODOALSA-N 437.854 5.501 30 10 IKEE CN(C)c1ccc(/C=C2\Oc3cc(OCCCOc4ccc(Cl)cc4)ccc3C2=O)cc1 1871404583 FSPALESUMXMWRX-XYGWBWBKSA-N 449.934 5.870 30 10 IKEE CC(C)OC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)o1 1871439091 HKVZSVITHSWMAW-DDIODMMUSA-N 430.456 5.596 30 10 IKEE CCCCCCCCCCN=c1nc(N(C)C)[nH]c(=NCCCCCCCCCC)[nH]1 1871472639 FUSYKKSNUSZFJB-UHFFFAOYSA-N 434.717 5.887 30 10 IKEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872298381 QLKFQKFTNGXGSY-QFIPXVFZSA-N 449.016 5.249 30 10 IKEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)CCCC 1872458420 OTKTXVQOWPYSQA-FQEVSTJZSA-N 429.026 5.154 30 10 IKEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)CCCC 1872491592 BWSQWSZBGXRMBM-FQEVSTJZSA-N 429.026 5.010 30 10 IKEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(C(C)(C)C)cc3)n2)cc1 1872770134 KRWOWPSAHHIRKZ-XAYULXIRSA-N 444.600 6.786 30 10 IKEE CC(C)(C)c1ccc(-c2csc([C@H](C#N)C(=O)c3cc(Cl)ccc3Cl)n2)cc1 1872773868 ZSSVLXYUHOQMMA-QGZVFWFLSA-N 429.372 6.904 30 10 IKEE COc1cc(Cl)c(C)cc1-c1csc([C@@H](C#N)C(=O)Cc2ccc(Cl)cc2)n1 1872784848 YXJOVZLIJPIXOV-INIZCTEOSA-N 431.344 5.853 30 10 IKEE COc1c(Cl)cc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(C)cc3)n2)cc1Cl 1872785986 YGUGVOWFUPLPHP-KXPUMZMLSA-N 443.355 6.324 30 10 IKEE Cc1cc(Cl)ccc1NC(=O)c1cccc(CSc2nc(C)c(C)c(C)c2C#N)c1 1872893460 XBWAEXHPZBPRBD-UHFFFAOYSA-N 435.980 6.385 30 10 IKEE CCCCCCCCNC1=C(c2ccccc2Br)C(=O)N(C2CCCC2)C1=O 1873071195 BWTUHJFPXNWXTD-UHFFFAOYSA-N 447.417 5.422 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)c(F)c2)cc2c(NCCc3ccc(C)cc3)ncnc21 1873616797 IKBSXKCVJJXCBG-UHFFFAOYSA-N 443.526 5.280 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(C)c(C)c1)n2CC 1873629359 YCOMOUBZKYQSEH-UHFFFAOYSA-N 449.643 6.873 30 10 IKEE C=C(C)CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1sccc1C 1874217257 CXAIJRXSRRPBIA-AUEPDCJTSA-N 447.029 6.048 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccc(OC)cc2)n1/N=C/c1ccccc1C 1874219717 ANAXTMISMYZQOY-PCLIKHOPSA-N 436.581 5.157 30 10 IKEE CCCOc1cccc(/C=N/n2c(CCc3cccc4ccccc34)nnc2SC)c1 1874233751 ZLDZOUQLMYTLNR-NLRVBDNBSA-N 430.577 5.609 30 10 IKEE CCCCC1CCC(c2nnc(SCc3ccccc3C)n2/N=C/c2ccccn2)CC1 1874285286 DBYUALJFYWXERD-MTDXEUNCSA-N 447.652 6.620 30 10 IKEE Cc1ccc(CCc2nnc(SCCCO)n2/N=C/c2ccc(C(C)C)cc2)cc1C 1874332105 VMCGUMOMZGKLAW-YZSQISJMSA-N 436.625 5.160 30 10 IKEE Cc1ccccc1CCc1nnc(SCc2ccccc2C)n1/N=C/c1ccc(O)cc1 1874360961 GYWARFCMXHALID-WPWMEQJKSA-N 442.588 5.560 30 10 IKEE Cc1ccccc1/C=N/n1c(SCCc2ccccc2)nnc1-c1ccccc1Cl 1874365856 YCQPCHNDSKVPOF-YZSQISJMSA-N 432.980 6.124 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(F)cc1 1874393852 BYJQMYVAHNGQIP-VSWHYLHOSA-N 434.515 5.883 30 10 IKEE Cc1ccc(C)c(NC(=O)CSc2nnc(CC(C)(C)C)n2/N=C/c2ccccc2)c1 1874436712 OERCKIZNCDYESJ-MFKUBSTISA-N 435.597 5.097 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2[C@H]2CCCO2)cc1 1874449579 GOCOUGBUJKPNJQ-LSCMLXDISA-N 426.973 5.520 30 10 IKEE Cc1cccc(CSc2nnc(C(F)(F)F)n2/N=C/c2ccc(C(C)(C)C)cc2)c1 1874459433 NAPUTBYBDDFYJF-LGJNPRDNSA-N 432.515 6.077 30 10 IKEE FC(F)(F)c1nnc(SCc2ccccc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874460377 QMYJVGAXGCDQJP-NUGSKGIGSA-N 431.270 5.778 30 10 IKEE C=C(C)CSc1nnc(C2CCC2)n1/N=C/c1ccc(OCCCC)c(OCC)c1 1874495388 ISUBHOOYNZHTRU-BUVRLJJBSA-N 428.602 5.674 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SCc3ccccc3)nnc2C2CCC2)cc1 1874495635 WQAYCPDUQPDQOR-NLRVBDNBSA-N 434.609 6.289 30 10 IKEE CC(C)c1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccccc1C(=O)O 1874515012 MRJUPXIMMNLOKR-AFUMVMLFSA-N 430.533 5.427 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CC2)c1 1874520487 GXEJNQIHZKIBAF-WPWMEQJKSA-N 442.588 6.272 30 10 IKEE O=C(/C=C/c1ccccc1OCc1c(Cl)cccc1Cl)c1ccc2c(c1)OCCO2 1874580890 KVSAODIZWKCPEE-CSKARUKUSA-N 441.310 6.240 30 10 IKEE CCCN(CCC)C(=O)COc1c(/C=C/C(=O)c2c(C)cc(C)cc2C)cccc1OC 1874590174 WUSKEJTXUWTEFE-OUKQBFOZSA-N 437.580 5.544 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cc(Cl)ccc1OCc1ccccc1F 1874590552 MZLUVPSTZUAPTO-JLHYYAGUSA-N 436.954 7.560 30 10 IKEE CCCOC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(OC)c2ccccc12 1874591858 FXPOENNCLUPMJW-DHZHZOJOSA-N 438.907 5.730 30 10 IKEE CCCOC(=O)COc1cccc(/C=C/C(=O)c2ccc(OCCC)c(OCCC)c2)c1 1874594632 URIUOBVTUAPXPS-ZRDIBKRKSA-N 440.536 5.492 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3ccccc3)c2)cc1 1874596553 YVEUQNLYXVRTCK-OQLLNIDSSA-N 445.515 5.398 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)c(C)c1C 1874628044 JCHAOIGDYUFTCD-AUFJSOOLSA-N 443.543 5.464 30 10 IKEE CCc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCCOc3ccc(OC)cc3)c2)cc1 1874694409 BMGLOASNVYCEQN-WOJGMQOQSA-N 444.527 5.918 30 10 IKEE CCCC(=O)Oc1c(OCC)cc(/C=C/C(=O)c2ccc3ccccc3c2)cc1[N+](=O)[O-] 1875095411 NVDDYNCKHZLGLR-JLHYYAGUSA-N 433.460 5.748 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(N(C)C)cc3)cc2)cc1 1875106961 SOWPSVCNBFNRJU-RGVLZGJSSA-N 427.544 6.211 30 10 IKEE O=C(COc1cc(F)ccc1F)Oc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1 1875123127 BQXNCDXTGYHOCQ-IZZDOVSWSA-N 428.818 5.499 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OC(=O)c1ccccc1[N+](=O)[O-] 1875127794 YNICBODHKBVKHK-VAWYXSNFSA-N 437.835 5.372 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)Cc1cccs1 1875132295 OXYFXGUKMQFPQW-JXMROGBWSA-N 426.921 5.763 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1cc(C)cc(C)c1 1875133211 KEJJFIVNVTXFSL-DHZHZOJOSA-N 430.500 5.744 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccs2)c(Cl)c1)c1ccc(Cl)c(Cl)c1 1875135518 UYOMECDRJLMWFS-XVNBXDOJSA-N 437.731 6.824 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1ccccc1F 1875151425 KPCOKYYXVMBJJK-JXMROGBWSA-N 434.419 5.068 30 10 IKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OC(=O)C2CCC2)c(Cl)c1 1875161019 UZPDULRMVBYCLR-DHZHZOJOSA-N 426.940 6.248 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2ccc(OC(=O)c3cccs3)cc2)cc1Cl 1875173792 VOIFBIHVJVJHMX-JXMROGBWSA-N 428.893 5.534 30 10 IKEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)C(C)C)c(Br)c1 1875192778 BLIFTMOWTYHNKN-QPJJXVBHSA-N 437.717 5.569 30 10 IKEE CCCCCCCCNc1ncnc2c1cc(C(=O)N(CC)CCCC)n2CCCC 1875212849 OJIYJLJUQWJUJM-UHFFFAOYSA-N 429.653 6.266 30 10 IKEE CC1(C)OB([C@]23C[C@H]2CCN(Cc2ccc(Cl)cc2Br)C3)OC1(C)C 1879794435 OONSRJXLFFMFEI-KUHUBIRLSA-N 426.591 5.161 30 10 IKEE C=C([C@H](NCC)c1cc(I)ccc1Br)[Si](C)(C)C 1922877129 ZNLISJNFVLLNFC-AWEZNQCLSA-N 438.223 5.138 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)c1 1944061659 JKOJRUPOXUKOQE-FQEVSTJZSA-N 429.561 6.168 30 10 IKEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 1944892602 XRYHOSYFPXVUGR-KOSHJBKYSA-N 435.609 5.486 30 10 IKEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 1999944600 ORXLNEYORNMAMJ-WAIKUNEKSA-N 433.524 5.106 30 10 IKEE C=CCCCCCC[C@@H](NC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2026020209 VZORFRSAUNHKRM-BVAGGSTKSA-N 429.649 5.270 30 10 IKEE C=CCCCCCCCC[C@H](N)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2026313164 LVMQIZCDHLNBPN-DEOSSOPVSA-N 431.665 5.647 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc([C@](C)(C#N)N(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)c1 2027942592 WEOMVKIWLYYCHK-CYFREDJKSA-N 445.560 5.188 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CN(C(=O)OC(C)(C)C)CC2(CC2)C1 2037318076 MIRMSETXICZEFF-VWLOTQADSA-N 441.572 5.420 30 10 IKEE CC(C)(C)OC(=O)NC[C@](C#N)(c1ccccc1)N(C(=O)OC(C)(C)C)c1ccccc1 2076789734 CQLUCODRZJNDBP-RUZDIDTESA-N 437.540 5.372 30 10 IKEE Cc1cc(C)c([C@H](n2nc(C(C)C)c(C#N)c2I)C(C)(C)C)cc1C 2079137800 DJHMDXDEMWWLEG-IBGZPJMESA-N 449.380 6.044 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(Cl)ccc(Br)c1F 2122141530 BSOJWKGUEGXLPB-PBHICJAKSA-N 449.792 5.752 30 10 IKEE Cc1c([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)c(Br)nn1C 2131581804 QIABMHNLTSCVPZ-AWEZNQCLSA-N 439.741 5.151 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCC2(CCOCC2)C1 2159746159 RDYPXLMYLJZCAG-OAQYLSRUSA-N 435.362 5.434 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@H]2Nc1ncc(Br)cc1C#N 2162414735 OHDRGEHIOGPNRJ-KRWDZBQOSA-N 429.318 5.162 30 10 IKEE CCCN(c1cccc(Br)c1C#N)C1CCC(NC(=O)OC(C)(C)C)CC1 2174807626 DWAKVRXLDYHQHU-UHFFFAOYSA-N 436.394 5.373 30 10 IKEE CN(c1ccc(C#N)c(Br)c1F)[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21 2190462356 UOSRQHXPZFHSMK-PNYFIKQUSA-N 429.333 5.280 30 10 IKEE CC#CCCCC[C@H](NCCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2196175380 XPGOXEZRJLWJEE-FQEVSTJZSA-N 437.422 6.421 30 10 IKEE C=CCC1([C@@H](NCC)c2sc(C)c(Br)c2C)CN(C(=O)OC(C)(C)C)C1 2224208013 CJDIEMMYKXPIOJ-KRWDZBQOSA-N 443.451 5.591 30 10 IKEE C=CCCC[C@@H](NCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229127114 KGPDOWSXXRZMHZ-RTBURBONSA-N 425.411 5.219 30 10 IKEE N#C[C@H](C(=O)c1cc(Br)c(Br)s1)c1ccc(F)c(Cl)c1 2233366863 TXJTYOKGQLXCDK-ZETCQYMHSA-N 437.515 5.556 30 10 IKEE CC1(C)CCC(NC(=O)OC(C)(C)C)([C@@H](O)C#Cc2ccccc2Br)CC1 2235742728 YWVNOFDHBVHPOS-SFHVURJKSA-N 436.390 5.025 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1c(F)cc(F)cc1F 2235813170 KJAPDXHZFZNMEN-INIZCTEOSA-N 441.247 5.873 30 10 IKEE CN[C@@H](C#Cc1ccc(Cl)cc1)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2239463066 RIHOYNCBCANLMR-IBGZPJMESA-N 449.776 5.762 30 10 IKEE C=CCN(CC[C@H](N)c1cc(Br)cc(C(C)(C)C)c1)C(=O)OC(C)(C)C 2272997331 UCVZEKBEKXHNIP-SFHVURJKSA-N 425.411 5.560 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(Cl)cc1[C@H](O)C#Cc1ccc(Br)cc1 2278792374 ZWKBGNGHXHOYQJ-GOSISDBHSA-N 436.733 5.535 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)CC 2296287209 UEIMTBDGBASIAT-DBVUQKKJSA-N 437.422 5.108 30 10 IKEE CCOc1ccc(N=C2SC(=Cc3ccccc3)C(=O)N2c2ccc(OCC)cc2)cc1 2297293646 XZNYWKZYTUABSV-UHFFFAOYSA-N 444.556 6.293 30 10 IKEE COc1c2c(cc3c1[C@H](CC(C=C[C@@H]1C(C)=CCCC1(C)C)=NO)N(C)CC3)OCO2 2297731146 SVSPODGIYWQUSW-UXHICEINSA-N 426.557 5.112 30 10 IKEE O=[N+]([O-])c1cc(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CC2)ccc1O 2320868037 IIJAYBNNGTUCLS-UHFFFAOYSA-N 445.504 5.097 30 10 IKEE CCOc1cc(C=Nn2c(S)nnc2CC(C)C)ccc1OCc1cccc(Cl)c1 2321888408 VKMRMEMHNUCNIE-UHFFFAOYSA-N 444.988 5.279 30 10 IKEE CCOCCCN1COc2ccc3c(c2C1)OC(=Cc1ccc(-c2ccccc2)cc1)C3=O 2322145617 DNBSVHKRJFKCEL-UHFFFAOYSA-N 441.527 5.548 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)O3)CN([C@@H]1CCCC[C@H]1C)CO2 2322153237 PJLDUADOUXZVQW-FOIQADDNSA-N 434.492 5.250 30 10 IKEE CCOc1ccc(C=C2Oc3c(ccc4c3CN(C3CCCCCCC3)CO4)C2=O)cc1 2322174825 NFFUWUGFAGDCMD-UHFFFAOYSA-N 433.548 5.966 30 10 IKEE O=C(C=Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 2322312066 DAWPDGIIDYOYGB-UHFFFAOYSA-N 428.271 6.377 30 10 IKEE COc1cc(Cl)cc(C=CC(=O)c2ccc3ccccc3c2)c1OCc1cccc(F)c1 2322321669 QIBNWMGTAVGVDJ-UHFFFAOYSA-N 446.905 7.116 30 10 IKEE COc1cccc(C=CC(=O)c2ccc3c(c2)CCCC3)c1OCc1ccc(Cl)cc1 2322339016 CGDFKNSGOYYFHM-UHFFFAOYSA-N 432.947 6.703 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1 2322648536 LTFGUXHLJMTYLG-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE Cc1c(OC(=O)c2ccccc2)ccc2c1OC(=Cc1cccc(Br)c1)C2=O 2322662848 ICKZGFWHCJAAAN-UHFFFAOYSA-N 435.273 5.593 30 10 IKEE Cc1ccsc1C=C1Oc2cc(OC(=O)c3ccc(C(C)(C)C)cc3)cc(C)c2C1=O 2322737890 LOYLNUHKPZBLAE-UHFFFAOYSA-N 432.541 6.498 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(C)cc2)C3=O)c1 2322805970 HSYHAZUCLWWNBU-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2cc(C)ccc2C)c(C)c1C 2322825163 QLEUOERXAKHCII-UHFFFAOYSA-N 430.544 6.413 30 10 IKEE Cc1cccc(C=C2Oc3c(ccc(OC(=O)C=Cc4ccc(Cl)cc4)c3C)C2=O)c1 2323327753 PNMISNLYIGLETA-UHFFFAOYSA-N 430.887 6.192 30 10 IKEE O=C(C=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1ccc2c(c1)CCCC2 2323419712 PPAWPFGHEDHKNM-UHFFFAOYSA-N 437.366 7.347 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cccc(C)c3)c([N+](=O)[O-])c2)cc1 2323471383 TVVMKEUAQSUUAV-UHFFFAOYSA-N 444.487 5.379 30 10 IKEE Cc1cc(OC(=O)c2ccc(C=CC(=O)O)cc2)cc2c1C(=O)C(=Cc1ccc(F)cc1)O2 2323608687 IWHYXHUGAGYTHT-UHFFFAOYSA-N 444.414 5.067 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 2323812812 ONXSLLCJULBBGJ-UHFFFAOYSA-N 449.934 5.961 30 10 IKEE CCCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2)C3=O)cc1 2323936728 DXQOSMVEYGQZMQ-UHFFFAOYSA-N 428.440 5.228 30 10 IKEE CCCCN(CC)Cc1c(O)ccc2c1OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2324120613 BZOFGUMKRTYRQI-UHFFFAOYSA-N 427.544 6.297 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(O[C@@H](C)C(=O)Nc3ccc(F)cc3)c2C)C1=O 2324319296 KSUVEXDFNXXPPB-KRWDZBQOSA-N 431.463 5.465 30 10 IKEE COc1cccc(C=C2Oc3cc(OCc4ccc(C(=O)OC(C)C)cc4)ccc3C2=O)c1 2324602970 JEOSYPTVAUNAQS-UHFFFAOYSA-N 444.483 5.456 30 10 IKEE COc1ccc(OCCCOc2ccc3c(c2C)OC(=Cc2ccc(C)cc2)C3=O)cc1 2324705876 BQGDHHOQTLDNIS-UHFFFAOYSA-N 430.500 5.776 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1cccc(OC)c1OCC 2325509480 BCIXGDNQZGWAFD-UHFFFAOYSA-N 438.597 5.511 30 10 IKEE Cc1ccc(C)c(CC(=O)Oc2cccc(C=CC(=O)c3ccc(-c4ccccc4)cc3)c2)c1 2325669189 QMJOOMAJUYTLGH-UHFFFAOYSA-N 446.546 7.015 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc4ccccc4c3)c2)cc1 2325700600 WOKSGFWLJYLMCZ-UHFFFAOYSA-N 434.535 7.253 30 10 IKEE Cc1cc(OCC(=O)Nc2cccc(Cl)c2)cc2c1C(=O)C(=Cc1cccs1)O2 2325717201 OIGAEUNZRPJQRV-UHFFFAOYSA-N 425.893 5.344 30 10 IKEE CCCCc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccc(C)o2)C3=O)cc1 2325720221 DCDRDJBIGFAVQQ-UHFFFAOYSA-N 445.515 5.873 30 10 IKEE Cc1cc(C)cc(NC(=O)COc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)c1 2325721323 IPRMGDOXNWGWCR-UHFFFAOYSA-N 425.484 5.493 30 10 IKEE CCc1ccccc1OCC(=O)Oc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OC 2325759821 DAUQSMCKKZEJDJ-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE COc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OC(=O)CSc1ccccc1 2325764404 KOVDKHKEJHBIPI-UHFFFAOYSA-N 446.568 6.214 30 10 IKEE Cc1cccc(CSc2nnc(COc3ccc(Cl)cc3)n2N=Cc2cccnc2)c1 2327527201 RRSJDSIJXSHGNN-UHFFFAOYSA-N 449.967 5.388 30 10 IKEE CCCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccccc1OC(C)C 2328075557 JSUQKOJTXQJELN-UHFFFAOYSA-N 443.016 5.888 30 10 IKEE C=CCSc1nnc(CCc2cccc(OC)c2)n1N=Cc1c(F)cccc1Cl 2328652936 JJGCOFLILSTYHE-UHFFFAOYSA-N 430.936 5.025 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2cccc(O)c2)c(C)c1 2328897909 QQUPPMJMLREEQB-UHFFFAOYSA-N 444.560 5.354 30 10 IKEE C=CCSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1ccc(Cl)cc1Cl 2328964753 XRHZUBPPEODZKM-UHFFFAOYSA-N 445.419 6.147 30 10 IKEE CCc1ccc(C=Nn2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2cccs2)cc1 2330556740 FHRSKQIACCVBDY-UHFFFAOYSA-N 449.561 5.652 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(OC)c1OC(=O)c1ccncc1 2330674801 KFAARUTWNUSMHC-UHFFFAOYSA-N 449.506 6.087 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1ccc(C)cc1 2330694257 DEEXEVFHJBCRNA-UHFFFAOYSA-N 440.539 6.388 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC(C)(C)C)n2N=Cc2ccc(C(C)C)cc2)c1 2330846542 CWNCCSFCQLLUAS-UHFFFAOYSA-N 434.653 6.781 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1C 2330855536 RWBAKEWQVZTGFG-UHFFFAOYSA-N 430.544 6.022 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)C(c3ccccc3)c3ccccc3)cc2)cc1 2330952241 COXHJAZEDOOCAT-UHFFFAOYSA-N 448.518 6.329 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3c(F)cccc3Cl)c(OC)c2)cc1 2330992304 CZMMNQDOMARKQY-UHFFFAOYSA-N 440.854 5.612 30 10 IKEE C=CCOc1ccccc1C=Nn1c(SCc2ccccc2F)nnc1C1CCCC1 2331071768 PTLIDBPWSNKSDZ-UHFFFAOYSA-N 436.556 5.814 30 10 IKEE O=C(C=Cc1ccc(OC(=O)[C@H](Cc2ccccc2)c2ccccc2)cc1)c1ccccc1 2331162955 AZGGVWANDOYOEK-MUUNZHRXSA-N 432.519 6.515 30 10 IKEE Clc1cccc(CSc2nnc(-c3ccco3)n2N=Cc2c[nH]c3ccccc23)c1 2331225279 BRPNRPPBGAADTF-UHFFFAOYSA-N 433.924 5.847 30 10 IKEE O=C(CC1CCCCC1)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1Cl 2331398482 ZXVDTAFMPLHRIZ-UHFFFAOYSA-N 440.923 5.883 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(N(C)C)cc3)c(OC)c2)cc1F 2331467563 FRTLBEPPMZSVPU-UHFFFAOYSA-N 449.478 5.024 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C2CCCC2)c(Br)c1)c1cccc2ccccc12 2331473661 RSVBAEMVIGPTKU-UHFFFAOYSA-N 449.344 6.594 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)c1cccc(Cl)c1 2331504133 QFWVMHVKVGOKHJ-UHFFFAOYSA-N 448.946 6.977 30 10 IKEE O=C(C=Cc1ccc(OC(=O)c2ccccc2)c(Br)c1)c1ccc(F)cc1 2331523493 CFYXZBUAYGZXFC-UHFFFAOYSA-N 425.253 5.704 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1Cl 2331818790 VHTNTGXBICLJKX-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE CCCN[C@@H](C#C[C@H]1CC1(C)C)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2365096065 MIJVXBRRSPUDAA-LPHOPBHVSA-N 435.406 5.886 30 10 IKEE C=CCCCCCCCCC[C@H](O)c1sc(Cl)cc1I 2366701968 NLXWKMPQZWMMOJ-AWEZNQCLSA-N 426.791 6.736 30 10 IKEE O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)N(C(=O)c1ccccc1)c1ccccc1N2 9861333 UENBBEOHPDSUAO-RUZDIDTESA-N 428.919 6.161 30 10 IKEE CCc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(F)ccc2F)cc1 21223105 IZFAWUQJQBFAFF-MYUZEXMDSA-N 430.498 6.507 30 10 IKEE CC(C)c1cc(N2CCN(C/C=C\c3ccccc3)CC2)n2c(nc3ccccc32)c1C#N 33341228 KQNCLRAGUGVNOQ-FLIBITNWSA-N 435.575 5.318 30 10 IKEE C=CCN(CC(=O)N1N=C(c2cc(C)ccc2C)C[C@H]1c1cccc(F)c1)C1CCCC1 36342757 YKKMEFQUWZXNGN-SANMLTNESA-N 433.571 5.551 30 10 IKEE O=C(C[C@H]1S/C(=N/c2cccc3ccccc23)NC1=O)Nc1cccc(C(F)(F)F)c1 39843613 NBZKLZUWXAOZGI-GOSISDBHSA-N 443.450 5.107 30 10 IKEE C=Cc1ccc(COc2cc(C)c3c(c2)O/C(=C\c2ccc(-c4ccccc4)cc2)C3=O)cc1 41504694 HYPCSJIUKQWLRX-MIXAMLLLSA-N 444.530 7.500 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc4c3CN([C@H](C)c3ccccc3)CO4)C2=O)cc1OC 41654154 HSARMVRBLNOIRB-YMKHCOABSA-N 443.499 5.233 30 10 IKEE O=C(CSc1n[nH]c(N/N=C/c2cccc(Oc3ccccc3)c2)n1)c1ccc(F)cc1 58994482 RCZNBLOIEWAYSC-AFUMVMLFSA-N 447.495 5.157 30 10 IKEE COc1ccc(-c2nc(SC)nc(NCc3ccccc3Cl)c2C#N)cc1OC 62048753 XEMXORAYSQFZON-UHFFFAOYSA-N 426.929 5.020 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(C3CCCC3)C4)C2=O)cc1 62977252 YUGUCXASRKYATM-OYKKKHCWSA-N 432.564 5.552 30 10 IKEE CCCCCCCCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccccc2F)c1 98021444 RKCZPVBTPGZZOU-DEOSSOPVSA-N 428.573 6.293 30 10 IKEE CCCCCCCN1C(=O)C[C@H](C(=O)Nc2ccccc2F)S/C1=N\c1ccccc1 100171366 IRKKPOBMKZYKAO-MONKAWABSA-N 441.572 5.756 30 10 IKEE CCCCCCCCCCCCCCCCNc1ncnc(Nc2ccccc2)c1N 101531591 MPKNGULKSZTVIP-UHFFFAOYSA-N 425.665 7.696 30 10 IKEE Cc1ccc([C@@H]2C(=O)C(C(=O)Nc3cccc(C(F)(F)F)c3)=CC3=C2CCCC3=O)cc1 102391306 RSQCAHQZINICRX-QFIPXVFZSA-N 439.433 5.295 30 10 IKEE COc1ccc(/C=C2/Oc3cc(OCc4ccccc4C)ccc3C2=O)c(OC)c1OC 103019124 BKSNWGNCCZWSPH-YDZHTSKRSA-N 432.472 5.216 30 10 IKEE Cc1ccc([C@H]2/C(=C(/O)c3ccc(C)o3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 103224387 AYBPWPNXBJNANW-LCPUNJGISA-N 448.475 5.272 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2cccc(F)c2)c1 169928946 QVCRMKLZKASOIP-QFIPXVFZSA-N 435.426 5.065 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(F)cc2)c1 169929473 PDDTZGVUVJWYMH-NRFANRHFSA-N 437.854 5.271 30 10 IKEE CCN1C(=S)N[C@H](c2ccc(OCc3c(F)cccc3Cl)cc2)C2=C1CCCC2=O 169933178 SKDIIXRDUNCCAF-JOCHJYFZSA-N 444.959 5.316 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2cccc(Cl)c2)c1 169970163 TYFAYXWHAUKCIJ-QFIPXVFZSA-N 435.882 5.879 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2cccc(C)c2)cc1 169970553 WPJDYJRDNVLIMU-XMMPIXPASA-N 443.499 5.185 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1ccc(OC(C)C)cc1 169979110 BKBZURIMWNPTCK-FQEVSTJZSA-N 442.581 5.316 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1cccnc1)c1ccc(Cl)c(Cl)c1 170183179 JKUABLPNIUMSPR-GOSISDBHSA-N 445.327 5.228 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1cccnc1)c1ccc2ccccc2c1 170188613 SFGUQGMHXYIBLO-QHCPKHFHSA-N 440.886 5.671 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@H]1c1ccccc1 170226042 XCTGNQYNENDJIE-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(Cl)cc1)c1ccc2c(c1)CCCO2 170237149 BTLOICNRAMBZIP-QFIPXVFZSA-N 437.923 5.186 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccc(Cl)c(Cl)c1 170246401 RQZVOFBLQOIENO-LJQANCHMSA-N 429.303 5.463 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1F)c1ccc2ccccc2c1 170248281 YRPVQPBNHCTXJS-DEOSSOPVSA-N 441.433 5.901 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@@H]1c1ccc(CC)cc1 170268121 SUNVYOIGOGZPFD-FQEVSTJZSA-N 427.928 5.208 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@H]1c1cn(C)c2ccccc12 170269280 DMZSLYFHVPXSGY-XMMPIXPASA-N 446.547 5.346 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1Cc1cccs1 170269929 KELGRSLZNINDKA-QHCPKHFHSA-N 447.556 5.622 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2C)cc1 170271200 JQYOYZDPFDAQBY-XMMPIXPASA-N 445.490 5.706 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2ccco2)c1C 170286079 FKVUVZBJKCUXQC-HSZRJFAPSA-N 429.472 5.004 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccco2)cc1C 170286118 SOKUDGURDJBVOT-HSZRJFAPSA-N 431.488 5.305 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2ccc(F)c(F)c2)o1 170299347 WIVGCZIXCWCSPV-HSZRJFAPSA-N 445.421 5.802 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2sccc2C)cc1C 170315002 GWDHWJWVKOQUKZ-JOCHJYFZSA-N 447.556 5.937 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2CCC)c1 170323677 YEHHVWWXNYZZKF-XMMPIXPASA-N 449.591 6.070 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(Cl)cc2)cc1 170361422 LQHUAOIBPBAVLF-HXUWFJFHSA-N 439.920 5.583 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1ccc(C(F)(F)F)cc1 170399497 PWSCQNWULULCCC-NRFANRHFSA-N 437.417 5.797 30 10 IKEE Cc1cccc(Oc2ccc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@H]3c3cccnc3)cc2)c1 170481359 DOXNGNYGZXAHIE-RUZDIDTESA-N 442.515 5.698 30 10 IKEE CCCCCCCCCCCCCCCCCC(=O)Nc1nc(-c2cccs2)cs1 170502528 LIFXQRLVMNZPNN-UHFFFAOYSA-N 448.742 9.072 30 10 IKEE CCN(C(=O)/C=C\c1ccc(OCC#N)c(OC)c1)[C@@H](C)c1cccc(C(F)(F)F)c1 230024629 UUZNZZUHYZFWCO-SLWQEBJJSA-N 432.442 5.239 30 10 IKEE CC(=NOC(=O)C12CC3CC(CC(C3)C1)C2)C(C)=NOC(=O)C12CC3CC(CC(C3)C1)C2 252599389 DIGAZVHUSLZPCJ-UHFFFAOYSA-N 440.584 5.257 30 10 IKEE C(=Nn1c(-c2ccc(-c3ccccc3)cc2)csc1=NC[C@@H]1CCCO1)c1ccccc1 254350771 RSKFGJDTOHSWPD-VWLOTQADSA-N 439.584 5.846 30 10 IKEE Cc1sc2nc(C)n(N=Cc3sc(Nc4ccccc4)nc3Cl)c(=O)c2c1C 254380345 AOLDAWKAUQLDAD-UHFFFAOYSA-N 429.958 5.119 30 10 IKEE COc1ccccc1N=C1S/C(=C/c2ccc(O)cc2)C(=O)N1c1ccccc1OC 254557624 KPNMKLBBPBUSOP-LAJNNLEESA-N 432.501 5.218 30 10 IKEE C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=NN=Cc1cccc(Cl)c1Cl 263630936 KAZZDRRNZVOQBJ-HSGJQSDISA-N 441.402 7.030 30 10 IKEE CCOc1cccc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 526488622 QKTVAEGARZYSFC-HSZRJFAPSA-N 430.891 5.668 30 10 IKEE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(Cl)cc2)c1 526490309 LQMYLNZOHOASJR-HSZRJFAPSA-N 446.890 5.286 30 10 IKEE CCOc1ccc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1OC 526517512 UADAFBZPBZDVSN-JOCHJYFZSA-N 432.501 5.084 30 10 IKEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1ccc(OC(C)C)cc1 526802781 MNQXNJPLTSAVJU-MYYYXRDXSA-N 426.561 5.722 30 10 IKEE CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1ccc(OCC)cc1 526814276 IPUUQQPKVOYKJF-CFRMEGHHSA-N 449.407 6.111 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1ccc(OC)c(O)c1 526824344 WLBJAXNPNHHOSJ-YVNNLAQVSA-N 437.352 5.036 30 10 IKEE C=CCN(c1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccc(CCCCCC)cc1 586233374 LOMAGYDTNHRUFX-UHFFFAOYSA-N 440.653 6.181 30 10 IKEE C[C@H]1N(Cc2ccccc2)CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 698901611 KBSGILILVCBDJQ-KOSHJBKYSA-N 425.960 5.638 30 10 IKEE C=CCCC[C@H](NCCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 708560968 VYGSANFDGKATPZ-VQTJNVASSA-N 439.438 5.609 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(Cl)ccc1Br 710806898 KEXRHDZUMFADRM-SFHVURJKSA-N 435.749 6.417 30 10 IKEE O=[N+]([O-])c1ccc(O)c(C=Nc2cc(C(F)(F)F)ccc2Oc2ccc(Cl)cc2)c1 1084137231 PEPSJVLIQQYGJL-UHFFFAOYSA-N 436.773 6.516 30 10 IKEE Cc1ccc(-c2cc(N=Cc3c4ccccc4cc4ccccc34)n(-c3ccccc3)n2)cc1 1084557490 FNMUWAZQHKEMMJ-UHFFFAOYSA-N 437.546 7.905 30 10 IKEE Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)oc2c1C(=NNc1ccccc1)CC(C)(C)C2 1772729502 QXPMWGSRCPFTOO-UHFFFAOYSA-N 432.480 5.537 30 10 IKEE Cc1ccc(NC(=S)N/N=C\c2cn(-c3cccc(F)c3)nc2-c2ccc(F)cc2)cc1 1857809025 PKYWMOKKPUKYFK-VYYCAZPPSA-N 447.514 5.446 30 10 IKEE COc1ccc(-n2cc(/C=N\NC(=S)Nc3ccc(C)cc3)c(-c3cccs3)n2)cc1 1857809387 UUUYUNTWQLRQGP-OYKKKHCWSA-N 447.589 5.238 30 10 IKEE N#Cc1ccccc1NC(=O)Oc1cccc2c(NC(=O)c3ccc4cc[nH]c4c3)cccc12 1858779866 QWCCAGZRPGINKL-UHFFFAOYSA-N 446.466 6.056 30 10 IKEE CCC(CC)N(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1F 1859987124 VMDYLQLJNRQZQH-UHFFFAOYSA-N 439.346 6.838 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccc(C)cc2)cc1 1862389746 MPTGCAZSKHKXHM-DEOSSOPVSA-N 435.564 5.341 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CCCC2)cc1 1862415189 RDXNEJISELVPPM-QFIPXVFZSA-N 425.475 5.609 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(F)cc1F 1862416707 JIFPZMYXVKTMHL-ZPDQPEGFSA-N 447.428 5.400 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCc2ccc(F)cc2)cc1 1862441482 JBVYLXITHWLYRS-HSZRJFAPSA-N 449.909 5.609 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccc(F)cc2F)c1 1862491424 SJHRFYNCCYTMMT-OSPHWJPCSA-N 447.481 5.921 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2cccc(O)c2)cc1 1862531624 AIWNGLHHESIZJX-DEOSSOPVSA-N 427.500 5.042 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862559878 ZDANOBWYGVZQIB-OSPHWJPCSA-N 442.515 5.007 30 10 IKEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccccc1Cl 1862594346 CMLPMXJGFZXABI-OYHNWAKOSA-N 433.891 5.385 30 10 IKEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccc(F)cc2)cc1 1862615597 KZPNAUVTVOSAMT-HSZRJFAPSA-N 444.506 5.297 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C2CCCC2)cc1 1862616322 QDVPWDIIKFEZJE-DEOSSOPVSA-N 431.576 6.067 30 10 IKEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc2ccccc12 1862652435 IODWUWUQQAQBPS-SANMLTNESA-N 435.523 6.227 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CC(C)C)cc1OC 1862655509 KACCATZJWIUGCI-XMMPIXPASA-N 445.515 5.091 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(C(C)C)cc2)=C(O)C(=O)N1[C@@H](C)c1ccccc1 1862659625 BIIOOSFOXXWRLH-RXFWQSSRSA-N 439.555 6.458 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C(C)C)cc3)[C@@H]2c2cccc(F)c2)cc1 1862661283 CRLSFDCRKYGAMA-VWLOTQADSA-N 443.518 6.036 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(OCC)cc1 1862665748 NFOPNMZDXJXFLP-RUZDIDTESA-N 449.591 6.367 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(OC(C)C)c(OC)c1 1862671858 VLYHSVSIYFVVNZ-XMMPIXPASA-N 449.547 5.370 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccccc1Cl)c1ccc(F)cc1 1862676010 YLFZORLWNLTLPB-NRFANRHFSA-N 439.845 5.397 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)c1 1862676502 KNNAOZUHNWGZNE-FQQGMQMYSA-N 437.511 5.381 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C2CCCCC2)cc1 1862678913 XSXZBKTXVNDZIU-QHCPKHFHSA-N 435.539 6.034 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 1862691996 ATTPPZGOMJTMSX-HSZRJFAPSA-N 435.564 5.761 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862694577 MRABANRQEPKWFV-XMMPIXPASA-N 449.547 5.395 30 10 IKEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc(C)c1 1862712993 FJOPKDRLAJRPBI-XMMPIXPASA-N 429.516 5.153 30 10 IKEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccc(O)cc2)cc1 1862713400 NWPJSTJNAGMFQJ-AREMUKBSSA-N 449.506 5.632 30 10 IKEE Cc1cc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cccc(Cl)c3C)C2=O)ccc1F 1863085511 QRKWJBMEKCWZHM-UHFFFAOYSA-N 445.881 5.364 30 10 IKEE CCCCCCCCCCN1C(=O)C(Nc2ccccc2)=C(c2ccc(OC)cc2)C1=O 1863323604 LBAWEBCNAFZKCQ-UHFFFAOYSA-N 434.580 6.028 30 10 IKEE C=CCN(CC=C)c1cc(N2CCC[C@H]2Cc2ccc(Br)cc2)nc(CC)n1 1869125678 QFHGAHRAVKLQSC-FQEVSTJZSA-N 441.417 5.191 30 10 IKEE C=CCN(CC=C)c1cc(N2CCN(C)[C@@H](c3ccccc3)C2)nc(-c2ccccc2C)n1 1869151460 CRQQIJKWGFGPRI-RUZDIDTESA-N 439.607 5.124 30 10 IKEE C=CCN(CC=C)c1cc(N(C)CC(C)(C)c2ccccc2)nc(-c2ccccc2C)n1 1869156266 VQPRDLKNNNGLTM-UHFFFAOYSA-N 426.608 6.044 30 10 IKEE CCCCCCCCCCn1cc(OCCOc2ccccc2)c(=O)cc1CSCC 1870162534 PMEYXGGZWXROGX-UHFFFAOYSA-N 445.669 6.700 30 10 IKEE CCCCCCCCCCn1cc(OCC)c(=O)cc1CNc1ccc2c(c1)OCO2 1870784979 IUELRGXNMQAMRE-UHFFFAOYSA-N 428.573 5.729 30 10 IKEE CCCCCCCOc1cn(CCCn2ccnc2)c(CNc2cccc(C)c2)cc1=O 1870839302 HAHYIMZNWYXGOY-UHFFFAOYSA-N 436.600 5.405 30 10 IKEE C=CCn1cc(OCCCOc2ccccc2)c(=O)cc1CNc1ccc(Cl)cc1C 1871085354 OVZNCWUCWUZQQL-UHFFFAOYSA-N 438.955 5.456 30 10 IKEE C=CCn1cc(OCCCCOc2ccccc2)c(=O)cc1CNc1ccc(OC)cc1C 1871225912 PZTQYUSAQSNDAY-UHFFFAOYSA-N 448.563 5.201 30 10 IKEE CC(C)(C)c1ccc(/C=C2\Oc3cc(OC(=O)COc4ccccc4)ccc3C2=O)cc1 1871364856 WNOPGBCJQLQHED-IWIPYMOSSA-N 428.484 5.585 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871375488 NUIVRQAPIVGREP-UCQKPKSFSA-N 432.447 5.297 30 10 IKEE Cc1cccc(OCCCOc2ccc3c(c2)O/C(=C\c2cn(C)c4ccccc24)C3=O)c1 1871404553 DJFULTVDXRLYCC-YUMHPJSZSA-N 439.511 5.951 30 10 IKEE COc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1C)C2=O 1871412254 PTZUUGLPIBRXQD-SNNLMFDCSA-N 429.472 5.026 30 10 IKEE Cc1cc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc2c1C(=O)/C(=C/c1ccco1)O2 1871418435 TWDLOMYYRYZLJO-GRSHGNNSSA-N 443.377 5.241 30 10 IKEE Cc1ccc(NC(=O)CCOc2cc(C)c3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871431642 QDVJAKYEXIWEAK-UCQKPKSFSA-N 447.918 5.981 30 10 IKEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccccc1 1872010911 DASQHHPEPGZEFZ-HSZRJFAPSA-N 442.625 5.214 30 10 IKEE C=C(C)CN([C@H](C)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872425747 XZTMCTOZCPLYES-LJQANCHMSA-N 449.016 5.168 30 10 IKEE COc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 1872760848 ZFWFQFIRLUUYNC-QHCPKHFHSA-N 442.540 6.007 30 10 IKEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)c(C)c1 1872769183 LPNHGSQTXOUEOU-YOEHRIQHSA-N 445.371 6.378 30 10 IKEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCCCNC(=O)c3ccccc3)n2)c(C)c1 1872769611 WPELCMJUYSXLEP-QFIPXVFZSA-N 445.588 5.594 30 10 IKEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3cc(C)ccc3C)n2)c(OCC)c1 1872784192 PMEGLIUIPGATRZ-NRFANRHFSA-N 434.561 5.643 30 10 IKEE CCOc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)cc1 1872785061 DLFFULQRIGZMTK-WGLAMXGCSA-N 438.936 5.760 30 10 IKEE COc1ccc(CC(=O)[C@H](C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1 1872786349 HUQPFFFMUAYXIG-SFHVURJKSA-N 426.925 5.208 30 10 IKEE C=CCc1ccccc1OCc1cccc(C(=O)NCc2ccc(C(=O)OCCC)cc2)c1 1872834159 NQIIVZZOTGSCRQ-UHFFFAOYSA-N 443.543 5.491 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(F)cc2)=C(c2cc(F)cc(F)c2)C1=O 1873317900 FOGDCPVYLMANQC-UHFFFAOYSA-N 430.470 5.656 30 10 IKEE C=CCn1c(C(=O)N(CCCC)CCCC)cc2c(N3CCc4ccccc4C3)ncnc21 1873562711 PFTPELWHRLAONM-UHFFFAOYSA-N 445.611 5.222 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(Cl)cc2)cc2c(N3CCc4ccccc4C3)ncnc21 1873674755 YUILBCGLRHDKML-UHFFFAOYSA-N 443.938 5.086 30 10 IKEE CCCCCCCCNC(=O)COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl 1873892233 WWUKSOVZYOYMJI-UHFFFAOYSA-N 441.955 5.969 30 10 IKEE CSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1/N=C/c1c[nH]c2ccccc12 1874195573 VOTFGGKFELAUOM-WPWMEQJKSA-N 447.608 5.673 30 10 IKEE CCCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1c(F)cccc1Cl 1874250118 VBFFTZWTBKEURQ-MFKUBSTISA-N 446.979 5.775 30 10 IKEE CCCSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1c[nH]c2ccccc12 1874259049 LLLXNWOONFYQGR-WGOQTCKBSA-N 433.581 5.675 30 10 IKEE CCCSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874259415 YHWRLUWNDAHKDJ-HZHRSRAPSA-N 439.541 5.102 30 10 IKEE C=CCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1cccc(OCCC)c1 1874270566 XRSXYGDBWMFIBJ-ZXVVBBHZSA-N 442.588 5.971 30 10 IKEE Cc1cccc(C)c1OCc1nnc(SCc2ccccc2)n1/N=C/c1ccccc1O 1874299909 YXCVAACIKWATMF-CVKSISIWSA-N 444.560 5.354 30 10 IKEE Cc1ccc(OCc2nnc(SCc3cc(C)ccc3C)n2/N=C/c2ccc[nH]2)c(C)c1 1874327236 DFEQDIHNXLDPDS-MZJWZYIUSA-N 445.592 5.593 30 10 IKEE CSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1ccc(Br)cc1 1874329265 GYWIAPNFGDKQNM-LPYMAVHISA-N 429.387 5.047 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3Cl)n2/N=C/c2ccco2)cc1C 1874358740 XLVAQWQZUPJBKS-AFUMVMLFSA-N 436.968 5.907 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cc(C)ccc3C)n2/N=C/c2ccc(F)cc2)cc1 1874389549 ROPISGRHXMZIJQ-LQKURTRISA-N 444.579 6.108 30 10 IKEE Cc1cccc(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2c(F)cccc2Cl)c1 1874447551 FNVBNZAUDMQSEA-OGBFJMLUSA-N 430.936 5.405 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(SCc3ccccc3)nnc2C(F)(F)F)cc1 1874461539 SAUDOKJIGUSTKO-CVKSISIWSA-N 448.514 6.040 30 10 IKEE CCCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1/N=C/c1c[nH]c2ccccc12 1874476448 LWKZOTGPYSTGPA-CVKSISIWSA-N 446.580 5.023 30 10 IKEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C/c1c(OC)ccc2ccccc12 1874477377 XIAALVCUXULZBQ-JVWAILMASA-N 448.567 6.096 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C(C)(C)C)c1 1874485847 PDARRWQKPHDXFP-BHGWPJFGSA-N 449.407 6.071 30 10 IKEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2C2CCC2)c1 1874494365 YAXLKVZEFYQJRT-AFUMVMLFSA-N 433.581 5.084 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1OCc1ccc(F)cc1 1874573644 YMSIFPAYGMZVRY-KPKJPENVSA-N 431.290 6.616 30 10 IKEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccccc2OCc2ccccc2F)cc1 1874584511 RVMAVCFMDMELAU-LVZFUZTISA-N 446.562 7.650 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccccc1OCC(=O)NC1CCCCC1 1874588815 GFJUWOGTRXUVII-OUKQBFOZSA-N 441.955 5.381 30 10 IKEE COC(=O)c1ccc(COc2cc(/C=C/C(=O)c3ccc(C(C)C)cc3)ccc2OC)o1 1874597528 RFUOOXSJJVNQHS-LFYBBSHMSA-N 434.488 5.673 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCCc3ccccc3)c(OCC)c2)cc1 1874607080 ARWARUOSQSSIPJ-NBVRZTHBSA-N 428.572 6.946 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc3ccccc23)c(Cl)c1)c1ccccc1Cl 1874609088 XEDVZFNPYUFRLW-WYMLVPIESA-N 433.334 7.622 30 10 IKEE O=C(/C=C/c1ccc(OCc2cccc3ccccc23)c(Cl)c1)c1cccc(Cl)c1 1874612105 BXJRQHFXWBMVBK-ACCUITESSA-N 433.334 7.622 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OCC(=O)Nc1ccc(F)cc1 1874618582 IWIJSRVQQUWGPY-WUXMJOGZSA-N 433.479 5.365 30 10 IKEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3cc(Cl)ccc3Cl)cc2)o1 1874637767 QOLJGVNHNRUFBD-ONNFQVAWSA-N 431.271 5.848 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)c1ccc(Cl)cc1 1874692949 FPNUQYKXHWXMDQ-VZUCSPMQSA-N 437.835 5.372 30 10 IKEE O=C(COc1ccccc1)Oc1cccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1 1874695554 HYOJXHIDMJBCCF-FMIVXFBMSA-N 427.283 5.874 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccccc3[N+](=O)[O-])c2)cc1 1874696006 DHTJZMJUBYNPRM-SAPNQHFASA-N 429.472 6.053 30 10 IKEE Cc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3cccc4ccccc34)c2)cc1C 1874707858 ABNGUNQNASDFIA-JQIJEIRASA-N 436.507 6.337 30 10 IKEE COc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(C(C)C)cc3)c2)cc1[N+](=O)[O-] 1874710319 WQEGHFUIJHOKAU-NTUHNPAUSA-N 445.471 5.842 30 10 IKEE COc1ccccc1CCC(=O)Oc1cccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)c1 1874712397 WGGNQHYANBHSBU-NTCAYCPXSA-N 444.527 5.755 30 10 IKEE CCCCCCCCC(=O)NCCCc1nn2c(Cc3ccc(Cl)cc3)nnc2s1 1874797907 KHZKUBBBUPQITQ-UHFFFAOYSA-N 448.036 5.229 30 10 IKEE CCCCCCCCC(=O)N1[C@H](C(C)(C)C)CSc2nnc(CC3CCCCC3)n21 1874969131 UCQIYOIGURSUIW-FQEVSTJZSA-N 434.694 6.137 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cccc(Cl)c2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 1875087888 HJTIIUZKOVAXHR-VQHVLOKHSA-N 442.254 6.017 30 10 IKEE CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 1875117246 KTCRLLDRSNOTTQ-UBKPWBPPSA-N 429.472 6.008 30 10 IKEE Cc1ccccc1CCC(=O)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1Br 1875128194 RUKNYASYHOXJKF-SDNWHVSQSA-N 449.344 6.192 30 10 IKEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2)c(OC)c1 1875175818 IEAYYYFZFAFDGF-RIYZIHGNSA-N 430.500 5.365 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC(=O)CCOc1ccccc1 1875176733 NJONXZHITIMAEV-SDNWHVSQSA-N 444.527 5.973 30 10 IKEE CCCCC(=O)Oc1c(OCC)cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1[N+](=O)[O-] 1875183760 RGPHNSHLDKVFDS-ZHACJKMWSA-N 439.508 5.910 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc(OC)c1OC(=O)C1CCC1 1875184204 NDFNTEZVWJTBOJ-ACCUITESSA-N 436.548 5.911 30 10 IKEE CC[C@@H]1CC[C@](C#N)([C@H](O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1 1875690004 OPOAPKQUMPFCCP-WVLFPKRMSA-N 441.571 6.598 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccccc3-c3ccccc3)cc21 1891090201 MNSIAEFNLSOWQJ-UHFFFAOYSA-N 426.516 5.544 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cc(C(F)(F)F)ccc3F)ccc21 1891236898 LTCRNJFXLYYUSM-UHFFFAOYSA-N 436.405 5.034 30 10 IKEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)C(F)(F)c3ccc(Cl)cc3)cc21 1891309569 KFKSPKDTTCFFCI-UHFFFAOYSA-N 434.870 5.008 30 10 IKEE C[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2Cl)CN1C(=O)OC(C)(C)C 1900286754 JYDHRCPVWKTHQY-OYHNWAKOSA-N 435.952 5.373 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc([C@@](C)(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)c1 1912177773 HUCMMKLVAIFIMV-JOCHJYFZSA-N 444.536 5.710 30 10 IKEE C=C(COCc1ccccc1)[C@H](N)[C@H](O)c1ccc(-c2ccc(Br)cc2)s1 1922066576 VDRFGXSNQYHTNN-FCHUYYIVSA-N 444.394 5.311 30 10 IKEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)[C@@H]2CCC[C@H]21 1926544841 HSSFCDCDAUQDRF-IECBHUPTSA-N 445.535 5.249 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@@]1(C#N)CC(C)(C)[C@H]1OCc1ccccc1 1950402592 QIAFTDWVKRJHJG-PXDATVDWSA-N 440.971 6.359 30 10 IKEE CC(C)(C)OC(=O)N(CCC(C)(C)Oc1cc(C#N)cc(Cl)n1)Cc1ccccc1 1986474374 UXJTZEBUXILMCW-UHFFFAOYSA-N 429.948 5.591 30 10 IKEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C1 1997235160 YJHNSABPZJTZHK-UZUQRXQVSA-N 449.617 5.415 30 10 IKEE CC[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1C 2014646029 MNXRXYSFQVEGDE-YADARESESA-N 429.561 5.418 30 10 IKEE CN[C@H](C#C[Si](C)(C)C)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2016752214 KWVRDSKMUIWBKB-RUZDIDTESA-N 429.636 5.986 30 10 IKEE CCCCCC#CCC(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2024412803 WBFLCRLSBYZUGT-UHFFFAOYSA-N 426.601 5.089 30 10 IKEE COc1cccc(C=CC(=O)c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)c1OC 2053511917 OIGYMLUMOQCISE-UHFFFAOYSA-N 443.930 6.777 30 10 IKEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](N(CCCNC(=O)OC(C)(C)C)Cc2ccccc2)C1 2054253578 QVTJJYWTSRFIPM-RBZQAINGSA-N 441.660 6.148 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)CC12CCCC2 2074139311 QTSHWUYSUWUVRG-VWLOTQADSA-N 447.620 5.772 30 10 IKEE Cc1ccc([C@@H](C2CCC2)n2nc(C(C)(C)C)c(C#N)c2I)cc1C 2078992692 RSLJITKRYUEDRZ-GOSISDBHSA-N 447.364 5.663 30 10 IKEE CCc1nn([C@H](c2ccc(C3CC3)cc2)C2CCC2)c(I)c1/C=N/O 2079006503 DGJUJTRFXMOKTN-OZNZCJATSA-N 449.336 5.125 30 10 IKEE Fc1ccc(Cn2nc(Br)c(Cl)c2C(F)(F)F)c(C(F)(F)F)c1 2079143946 QGKMITNRIXKFIH-UHFFFAOYSA-N 425.529 5.524 30 10 IKEE CC1(NC(=O)OC(C)(C)C)CCC(Nc2cc(Br)c(C#N)cc2F)CC1 2106020557 UBRIQFBPCYFBIO-UHFFFAOYSA-N 426.330 5.098 30 10 IKEE C=CCN(CC[C@@H](Cc1ccc(Cl)c(Br)c1)NCC)C(=O)OC(C)(C)C 2110505274 ZOPMLBBSWGHVHY-INIZCTEOSA-N 445.829 5.436 30 10 IKEE CCCN[C@@H](CC#CC1CC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134733830 KOSLQLQJKPJYJD-NDEPHWFRSA-N 439.599 6.689 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cccc(Br)c1C 2138851573 LARMGLLBJVGJQU-OALUTQOASA-N 425.411 5.658 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(C)c1Br)NCCC 2144180018 ILGMEPLYYHRIAX-MOPGFXCFSA-N 439.438 5.528 30 10 IKEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)cc1CC 2229256016 SAGNQQIHKFGBBJ-MOPGFXCFSA-N 425.411 5.522 30 10 IKEE CC#CCCC[C@@H](NCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237428921 UTEVYYNAKUDYDQ-UXHICEINSA-N 437.422 5.057 30 10 IKEE C=CCCC1(C(=O)Cc2cc(Br)ccc2Cl)CN(C(=O)OC(C)(C)C)C1 2266281157 JIZLZPFDQXPJPF-UHFFFAOYSA-N 442.781 5.417 30 10 IKEE Cc1ccc(Cl)cc1NC1=CC(=NS(=O)(=O)c2cccs2)c2ccccc2C1=O 2293091998 BGOWMRGDUSUEFJ-UHFFFAOYSA-N 442.949 5.080 30 10 IKEE CC(C)(C)OC(=O)Nc1c(Cl)cc([C@H](N)C#Cc2ccccc2Cl)cc1Cl 2295219311 LPQRFQAYKGSLMV-QGZVFWFLSA-N 425.743 6.045 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C 2296298560 LLFAZQBLMMGESA-OALUTQOASA-N 437.422 5.108 30 10 IKEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@H](C)CN(CC)C(=O)OC(C)(C)C 2296298858 OJJGAEYIQIOBMC-XLIONFOSSA-N 437.422 5.062 30 10 IKEE CCCCCCCOc1ccc(C=C[C@@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1 2296623244 RJNNANDABJZSRA-MUUNZHRXSA-N 432.608 6.063 30 10 IKEE C=CCN1C(=O)C(=C2Sc3ccc(Cl)cc3N2C)SC1=Nc1ccccc1Cl 2297550044 JCEBXAWGGAXYKR-UHFFFAOYSA-N 448.400 6.154 30 10 IKEE CCOc1ccc2oc(C)c(C(=O)Oc3ccccc3C=CC(=O)c3ccccc3)c2c1 2314429997 TZVHYECMAQUYPZ-UHFFFAOYSA-N 426.468 6.255 30 10 IKEE Cc1ccc(-c2ccc(C=C3SC(=Nc4nc(C)cs4)N(C)C3=O)o2)c([N+](=O)[O-])c1 2314542635 NLLGWXWHJAYJNW-UHFFFAOYSA-N 440.506 5.162 30 10 IKEE COc1ccc(OC)c(C=C2SC(=Nc3nccs3)N(C3CCCCC3)C2=O)c1 2314542807 OZSHSUWYCXRMQJ-UHFFFAOYSA-N 429.567 5.097 30 10 IKEE CC(C)(C)OC(=O)N1CC2(CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c3cccc(F)c3)C2)C1 2317530150 XJUILWLRWGQUFC-XMMPIXPASA-N 445.535 5.251 30 10 IKEE CCOc1cc(C=Nn2c(S)nnc2CCc2ccccc2)cc(Cl)c1OC(C)C 2318415614 RUGUBTUJIKWFDH-UHFFFAOYSA-N 444.988 5.074 30 10 IKEE CCc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2cc(C)cc(C)c2)cc1 2318574185 GOSQBTYVSGBSLJ-UHFFFAOYSA-N 440.616 6.223 30 10 IKEE CCc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2nc(O)c3ccccc3n2)cc1 2322371042 IDJWUFOZZKZUIK-UHFFFAOYSA-N 440.499 5.382 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCc2ccccc2)c(OC)c1 2322904312 RPXPOWOIXDKXSV-UHFFFAOYSA-N 438.907 5.841 30 10 IKEE CC(=O)Nc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2C)C3=O)c1 2322969186 NDZNMTBJYVQOOQ-UHFFFAOYSA-N 427.456 5.097 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2Cl)cc1OCC(=O)Nc1c(C)cccc1C 2323087055 BTQBSGLIQHSRER-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE CCc1ccc(C=C2Oc3c(ccc(OC(=O)CCc4ccc(Cl)cc4)c3C)C2=O)cc1 2323114474 JCNAGNSFPYMFTL-UHFFFAOYSA-N 446.930 6.365 30 10 IKEE CCn1cc(C=C2Oc3cc(OC(=O)c4cccc(F)c4)cc(C)c3C2=O)c2ccccc21 2323290906 PNHLCXANMDHXTK-UHFFFAOYSA-N 441.458 5.944 30 10 IKEE C=CCOc1c(Br)cc(C=CC(=O)c2ccc(OC)c(C)c2)cc1OCC 2323579802 AWQPDHTWNHKZDJ-UHFFFAOYSA-N 431.326 5.626 30 10 IKEE Cc1c(OC(=O)c2ccc(-n3cccc3)cc2)ccc2c1OC(=Cc1ccc(F)cc1)C2=O 2323676184 VVKLKBLSKBPTJT-UHFFFAOYSA-N 439.442 5.760 30 10 IKEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc2ccccc12 2323692323 NMICOCXPQRONIF-UHFFFAOYSA-N 439.467 6.232 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)cc([N+](=O)[O-])c1OCc1cccc(C)c1 2323708361 WQEQZLFZTMXENK-UHFFFAOYSA-N 447.487 5.786 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2sccc2C)C3=O)cc1 2323882350 RBNFYAOXFAQRCW-UHFFFAOYSA-N 434.469 5.207 30 10 IKEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(CC)cc2)C3=O)cc1 2323886466 AVZUFCRMFZGNKI-UHFFFAOYSA-N 442.467 5.400 30 10 IKEE O=C1C(=Cc2ccccn2)Oc2c1ccc(O)c2CN(C1CCCCC1)C1CCCCC1 2324044637 HSAHHWTZSULHHS-UHFFFAOYSA-N 432.564 5.871 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3cc(C)ccc3C)c([N+](=O)[O-])c2)c(C)c1C 2324305235 LLMUYNAXUUREDS-UHFFFAOYSA-N 445.515 6.312 30 10 IKEE CC(C)(C)c1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 2324339124 FYYDDYCKNSPESP-FQEVSTJZSA-N 431.517 5.905 30 10 IKEE N#C[C@@H](C(=O)C=Cc1ccccc1Cl)c1nc(-c2cccc(Br)c2)cs1 2324439316 MOLJQIAVKPHHAG-INIZCTEOSA-N 443.753 6.116 30 10 IKEE Cc1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)c1C 2324498767 MFFLCKBLBYBUHE-QGZVFWFLSA-N 447.918 5.979 30 10 IKEE Cc1ccccc1C=C1Oc2cc(O[C@@H](C)C(=O)Nc3cc(Cl)ccc3C)ccc2C1=O 2324510226 CVCKHUPAILAPHL-KRWDZBQOSA-N 447.918 5.979 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)c(C)c1 2324545586 DPZQTDJEGQJTGB-UHFFFAOYSA-N 427.544 6.142 30 10 IKEE Cc1cc(OCCC(=O)OCCC(C)C)cc2c1C(=O)C(=Cc1c(F)cccc1Cl)O2 2325104094 GGXFNIMDDUMXOG-UHFFFAOYSA-N 446.902 5.762 30 10 IKEE Cc1ccsc1C=C1Oc2cc(O[C@H](C)C(=O)Nc3c(C)cccc3C)ccc2C1=O 2325141852 BLGRANGFQROCJP-QGZVFWFLSA-N 433.529 5.696 30 10 IKEE CC(=O)Nc1ccc(C(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2C)C3=O)cc1 2325235279 KTFOZKHYRBYMDL-UHFFFAOYSA-N 441.483 5.140 30 10 IKEE Cc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(-c4ccccc4)cc3)c2)cc1C 2325669528 SZQVOZVEAGUURJ-UHFFFAOYSA-N 432.519 7.086 30 10 IKEE COc1cccc(C(=O)C=Cc2ccc(OC)c(OC(=O)COc3ccc(C)c(C)c3)c2)c1 2325706569 OHJIGYCUZDXIHS-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc1OC(=O)CC(C)(C)C 2325752348 ZZEVUXUXUNRLIW-UHFFFAOYSA-N 438.564 6.239 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cccc(C)c3)c2)cc1C 2325770465 MTFORUAFAZVGIT-UHFFFAOYSA-N 430.500 5.744 30 10 IKEE CCCCC1CCC(c2nnc(SC)n2N=Cc2cccc(OC)c2OCC)CC1 2328106650 MVSMSIHKAUHPBW-UHFFFAOYSA-N 430.618 5.754 30 10 IKEE Cc1ccc(OCc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccccc2)cc1C 2328776496 SLUIYHNJQDXLLT-UHFFFAOYSA-N 446.551 5.788 30 10 IKEE Cc1ccc(CCc2nnc(SCc3ccccc3)n2N=Cc2ccccc2F)cc1C 2328945894 IBDMRFZJNDEQRM-UHFFFAOYSA-N 444.579 5.994 30 10 IKEE Fc1cccc(CSc2nnc(CCOc3ccccc3)n2N=Cc2cccs2)c1 2329174794 NOQMXKVKFBFCTQ-UHFFFAOYSA-N 438.553 5.275 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CC3CCCCC3)n2N=Cc2ccc(F)cc2)c1 2330271518 XXNKMLAJQGNSND-UHFFFAOYSA-N 436.600 6.331 30 10 IKEE CCc1ccc(C=Nn2c(Cc3cccs3)nnc2SCc2ccc(F)cc2)cc1 2330337739 VSFKEWOYDANVRQ-UHFFFAOYSA-N 436.581 5.806 30 10 IKEE O=[N+]([O-])c1ccccc1C=Nn1c(Cc2cccs2)nnc1SCc1ccccc1 2330389781 PWVSXYYFHIPBBT-UHFFFAOYSA-N 435.534 5.013 30 10 IKEE O=C(Oc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1Cl)c1ccc(F)cc1 2330807765 XSDCNELXAWCUQH-UHFFFAOYSA-N 449.692 6.901 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)c1ccncc1 2330906166 KJFRBLXRXGICGJ-UHFFFAOYSA-N 428.271 5.512 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2OC)cc(Cl)c1OC(=O)C1CCCC1 2331070866 VQCFPTRZMHHTNR-UHFFFAOYSA-N 428.912 5.739 30 10 IKEE O=C(Cc1ccccc1Cl)Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1Cl 2331087221 HOAABFOWDYVPIA-UHFFFAOYSA-N 447.264 6.316 30 10 IKEE Fc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CCCC2)c(F)c1 2331087284 VFMBZIAOZYQDHW-UHFFFAOYSA-N 432.927 6.042 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OC(=O)c1ccccc1Cl 2331158201 KHRKQWIETRRNMQ-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE CCOc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OC(=O)c1ccc(F)cc1F 2331174199 KVGHHTLXNNWAGJ-UHFFFAOYSA-N 442.845 6.132 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)CCCCCCCC 2331183434 KMLXRENYZGPXOJ-UHFFFAOYSA-N 434.576 6.976 30 10 IKEE COc1ccccc1C=Nn1c(SCc2cccc3ccccc23)nnc1-c1ccco1 2331216571 UZWNZLUMDHRBQQ-UHFFFAOYSA-N 440.528 5.874 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)Cc1ccccc1 2331323627 MMBPYQVRHNVGRI-UHFFFAOYSA-N 448.946 6.400 30 10 IKEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)c1cncc(C)c1 2331331501 GUSKBCKDDQVCHX-UHFFFAOYSA-N 439.870 5.615 30 10 IKEE CCCCc1nnc(SCCC)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2331342500 CYQLOPILNHOONN-UHFFFAOYSA-N 443.016 6.237 30 10 IKEE O=C(Cc1cccs1)Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1Cl 2331472239 CKJDNDROTADYNM-UHFFFAOYSA-N 432.928 6.599 30 10 IKEE COC(=O)c1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CCC2)cc1 2331541573 GHLXSQXPSPMZOK-UHFFFAOYSA-N 440.956 5.160 30 10 IKEE COc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)Cc1ccc(C)cc1 2331630812 XRNYVGLLSOZBRZ-UHFFFAOYSA-N 444.527 5.673 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc2)c1C 2331644640 RUVWLIYFVYVJQZ-UHFFFAOYSA-N 429.472 5.944 30 10 IKEE CCOc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)Cc1cccs1 2331653526 VDLMMKBLRIFQLD-UHFFFAOYSA-N 448.584 6.425 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc(OC)c1OC(=O)CC(C)C 2331660345 RXPHCTJHDGLBGH-UHFFFAOYSA-N 426.509 5.177 30 10 IKEE CCOc1cc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C(C)C)ccc1O 2331708165 JLUIAJDGWYFPEV-UHFFFAOYSA-N 430.961 5.334 30 10 IKEE COc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)c1cccc(C)c1 2331864154 NGVUWFTZTBYXAB-UHFFFAOYSA-N 441.310 6.426 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@@H]3C[C@H](OCc4ccccc4)C[C@@H]32)cc1 2331988799 KHABTUDYKULCHN-VETGKBFTSA-N 448.563 5.714 30 10 IKEE CC(C)[C@](C)(COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339585139 KVYIBZOHRDMOFJ-DEOSSOPVSA-N 446.397 5.044 30 10 IKEE CCN[C@H](C#C[C@@H]1CC1(F)F)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2341016607 YEJXXARFDFULHB-MLGOLLRUSA-N 429.305 5.105 30 10 IKEE O=C1CCCC2=C1[C@H](c1cccc(Cl)c1)n1nc(SCc3ccc(F)cc3)nc1N2 9597396 WVALXGHEJZMJIN-FQEVSTJZSA-N 440.931 5.385 30 10 IKEE O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1cc(Cl)cc(Cl)c1O)c1c(O)n[nH]c1N2 18196359 SBOCGPAZOOCTHW-ANRSDYALSA-N 448.331 5.147 30 10 IKEE CSc1ccc([C@H]2N=C(Nc3nc4ccccc4s3)NC3=C2C(=O)CC(C)(C)C3)cc1 19648050 HLVUSCYQVYKHSY-OAQYLSRUSA-N 448.617 5.774 30 10 IKEE C=CCn1c(SCCC(=O)N(c2ccccc2)c2ccccc2)nnc1C(F)(F)F 20840090 IMTHBWLHKWDDFY-UHFFFAOYSA-N 432.471 5.330 30 10 IKEE Clc1ccccc1CSc1n[nH]c(NN=C(Cc2ccccc2)Cc2ccccc2)n1 20908504 SZNDWJIPDUNTPH-UHFFFAOYSA-N 447.995 6.004 30 10 IKEE C=CCn1c(=S)[nH]c2cc(C(=O)Nc3nc(-c4ccc(C)c(C)c4)cs3)ccc2c1=O 22065575 MYAPPFNZVXYMLD-UHFFFAOYSA-N 448.573 5.238 30 10 IKEE CCCn1cc(CN/C(=N/C(=O)c2cc(C)cc(C)c2)Nc2cccc(SC)c2)c(C)n1 32973002 QZTRYEGESVSBSQ-UHFFFAOYSA-N 449.624 5.338 30 10 IKEE CCOc1ccc(/N=C(/N/N=C/c2ccc(C(C)C)cc2)c2nc3ccccc3s2)cc1 33723019 YXRSVKXDKVHTIL-WPWMEQJKSA-N 442.588 6.520 30 10 IKEE C=C(C)C(=O)NCCc1nc2ccccc2n1CCCCOc1ccc(Cl)c(C)c1 35144682 JFGGSXXTLHIVRD-UHFFFAOYSA-N 425.960 5.092 30 10 IKEE C=CCc1ccccc1OCCCn1c([C@H]2CC(=O)N(C3CCCC3)C2)nc2ccccc21 40183276 ASRVGSFDWWPMOT-QFIPXVFZSA-N 443.591 5.492 30 10 IKEE N#Cc1ccc(NC(=O)Cc2csc(SCc3ccc(Br)cc3)n2)cc1 44441758 RJPSYOHRTIJXFH-UHFFFAOYSA-N 444.379 5.251 30 10 IKEE CCN(CC)c1ccc(/C=C2\Oc3cc(OCc4cccc(OC)c4)ccc3C2=O)cc1 62957604 NMXXREIIBLLZIF-QQXSKIMKSA-N 429.516 5.737 30 10 IKEE C=C(C)COc1cccc(NCC(=O)Nc2cccc(C(=O)N[C@H](C)c3ccccc3)c2)c1 66063148 WVBJJLKSDVRZPL-HXUWFJFHSA-N 443.547 5.183 30 10 IKEE O=C1/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)CCC/C1=C/c1ccc(Cl)c([N+](=O)[O-])c1 83309340 FDLQEQJYIXTTDH-SFGFDRCGSA-N 433.247 6.030 30 10 IKEE C=C(C)COc1ccc(NC(=S)NC(=O)CCCCCCCCCCCCC)cc1 100443968 CCQKCONDUBAQHL-UHFFFAOYSA-N 432.674 7.156 30 10 IKEE C/N=C1/S/C(=C/c2cn(CCOc3cc(C)ccc3C(C)C)c3ccccc23)C(=O)N1C 103684611 BFYQUYGGYFENII-VQRWUSQMSA-N 447.604 5.684 30 10 IKEE CCCCCCCCCC[C@H](NC)c1cc(Br)c(Br)s1 162333870 FOVABIQSZLGQGC-AWEZNQCLSA-N 425.274 7.064 30 10 IKEE CCOc1cc(/C=N/Nc2ccc(OC)c(Cl)c2)cc(Br)c1OCC 169877330 UACROXGULJVNTQ-SRZZPIQSSA-N 427.726 5.355 30 10 IKEE COc1ccc(N/N=C/c2ccc(OCc3cccc(Cl)c3)c(OC)c2)cc1Cl 169877414 ZPZHGKHTBNNXGA-DHRITJCHSA-N 431.319 6.036 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(C)c(C)c2)=C(O)C(=O)N1Cc1cccs1 169939550 DXTLTTOYKGOGTK-JOCHJYFZSA-N 433.529 5.152 30 10 IKEE CCCOc1ccc(/C=N\Nc2nc(-c3ccc(F)cc3)cs2)cc1Br 169942111 COPNYNMYLQWKAC-JJFYIABZSA-N 434.334 5.947 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccc(O)cc2)ccc1F 169961349 MYMLQCNPHIWHPB-OAQYLSRUSA-N 437.854 5.276 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccc(O)cc2)c(C)c1 169962841 ZPYFKVUHRUYXSB-XMMPIXPASA-N 443.499 5.109 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(N(C)C)cc2)c1 169966886 CCDHTKVZJUUVOI-QHCPKHFHSA-N 446.934 5.497 30 10 IKEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccccc2)c1 170054821 QOHBBYYGNBHAIZ-AREMUKBSSA-N 449.506 5.627 30 10 IKEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(F)cc2)cc1 170063536 CLRDBXOVVJFUJO-HSZRJFAPSA-N 438.414 5.226 30 10 IKEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@H]1c1ccccc1F)c1cccc(Cl)c1 170072790 UZMQASJUJKAKEW-FQEVSTJZSA-N 447.853 5.138 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@@H]1c1ccc(OC)cc1 170116224 FGYVIESYSMDLSK-QHCPKHFHSA-N 437.536 5.124 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccc(C)c2)cc1 170140633 DZBDQUIFXZLHFE-DEOSSOPVSA-N 445.490 5.706 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1cccs1)c1ccc(Cl)c(Cl)c1 170155814 JLKDYRZAUJUBDR-SFHVURJKSA-N 448.302 5.977 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccncc1)c1cc2ccccc2o1 170204082 ISPYSKPFTUTSPL-OAQYLSRUSA-N 430.847 5.264 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccc2ccccc12 170220799 MDLPBWNXPKPBTD-QFIPXVFZSA-N 430.460 5.126 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@H]1c1ccccc1 170227390 MHPSQOMFVRZMGX-HSZRJFAPSA-N 443.499 5.104 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1ccccc1 170229436 GVMWRJSJVWEOOG-JOCHJYFZSA-N 449.453 5.373 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2OCC)[C@H]1c1ccccc1F 170252589 RASQMJPLJCHBDW-JOCHJYFZSA-N 441.499 5.002 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@@H]1c1ccco1 170294664 WKHVLOAHVDIETD-QHCPKHFHSA-N 431.488 5.155 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(c3cc4cc(Cl)ccc4[nH]3)CC2)c1 170295008 RETMUGDMZKRRAO-UHFFFAOYSA-N 435.999 6.679 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@@H]1c1ccc(C)o1 170301662 DROSWGWUOAAHRG-HSZRJFAPSA-N 445.515 5.613 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@H]1c1ccc(C)o1 170309848 NDAMYTOUPAWOJS-JOCHJYFZSA-N 425.525 5.391 30 10 IKEE CC(C)(CCC#N)CNc1c(Br)cc(Br)cc1Br 229672951 VGNJZSMWYJTYFP-UHFFFAOYSA-N 438.989 5.716 30 10 IKEE CCOc1cc(-c2nc3ccccn3c2N=Cc2ccc(Cl)c([N+](=O)[O-])c2)ccc1O 252601719 FBWGKZHVGGZGHK-UHFFFAOYSA-N 436.855 5.418 30 10 IKEE Cc1ccccc1N=C1S/C(=C/c2ccc(O)c(O)c2O)C(=O)N1c1ccccc1C 252605665 GLNJMEZRLIUPJR-WMNDBZMJSA-N 432.501 5.229 30 10 IKEE CCCCOC(=O)c1ccc(-c2ccc(C=Nc3ccc(N4CCOCC4)cc3)o2)cc1 254528534 PHAKQFLKWTXQNJ-UHFFFAOYSA-N 432.520 5.491 30 10 IKEE Cc1cc(/C=C2/SC(=Nc3ccccc3)N(Cc3ccc(C(=O)O)cc3)C2=O)c(C)n1C 254712822 FWRFGOIJOMUYSH-HBAYPHMUSA-N 445.544 5.144 30 10 IKEE C=C(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3[C@](C)(CO)[C@@H](O)CC[C@]43C)[C@@H]12 256965881 RFCPTXGFYWKJJB-JGVFJZKCSA-N 442.728 6.997 30 10 IKEE SC[C@H]1CN(Cc2ccccc2)C[C@H]1c1cc(Br)cc(Br)c1 382727074 RCGJTRHFVPTTDW-QAPCUYQASA-N 441.232 5.357 30 10 IKEE CCCCCCC[C@H](NCCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 406726221 YDMGNLWRSWVYAT-IBGZPJMESA-N 441.454 7.197 30 10 IKEE CCCCCCC[C@@H](NCC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 406812642 XBXYGLHJWXDNJB-LJQANCHMSA-N 427.427 6.807 30 10 IKEE FC(F)(F)c1cccc(-c2cnc(C(F)(F)F)cc2-c2cccc(C(F)(F)F)c2)c1 514257095 HNNFHXPFTLXDKG-UHFFFAOYSA-N 435.289 7.472 30 10 IKEE CCCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1ccccc1C(F)(F)F 526811953 VZNPCESWIGZSNI-VYYCAZPPSA-N 446.542 6.431 30 10 IKEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1cn(C)c2ccccc12 526813836 AZHSUETWHNXELM-RMORIDSASA-N 430.364 5.560 30 10 IKEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1cccc(OCC(C)C)c1 526813881 CROZTGRVPPXHQT-MYKKPKGFSA-N 449.407 6.103 30 10 IKEE CCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1ccc(OC(C)C)c(OC)c1 526822103 FZLGIYOGQNMLPY-YSMPRRRNSA-N 449.580 5.073 30 10 IKEE C[C@@H]1CCc2c(sc3ncnc(Nc4cccc(OCc5cccc(C#N)c5)c4)c23)C1 586473819 YMRQWKHPFXBWPO-MRXNPFEDSA-N 426.545 6.010 30 10 IKEE C=C1C[C@H]2CC(Nc3ccc(I)cc3Br)C[C@@H](C1)C2 697307482 UKKZEXMDNSKOEI-ONXXMXGDSA-N 432.143 5.601 30 10 IKEE CC(C)[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 698948172 WJIOZMPIYANWDS-RTBURBONSA-N 435.540 5.256 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C1 724076873 HXIIXCWPCZKKPD-WAIKUNEKSA-N 433.524 5.154 30 10 IKEE CCC(C)=NNc1nc2cc(C)c(NC(=O)c3ccc(Br)cc3)c(C)c2s1 1081377940 HHZSASAPTSJLHP-UHFFFAOYSA-N 445.386 6.126 30 10 IKEE Brc1ccc(C=Nc2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1 1084074343 JURCQCLMERDIMU-RSEQLOHWSA-N 429.361 7.026 30 10 IKEE Cc1cccc(C(=O)Oc2ccc(C=NNc3nc(-c4ccc(Cl)cc4)cs3)cc2)c1 1084103824 HLAJDEGXAUTYLP-UHFFFAOYSA-N 447.947 6.437 30 10 IKEE Clc1ccc(C=Nc2ccc3nc(SCc4nc5ccccc5[nH]4)sc3c2)cc1 1084267544 NZTVKOFAHNZYEZ-UHFFFAOYSA-N 434.977 6.869 30 10 IKEE CN1C/C(=C/c2cccc(C(F)(F)F)c2)C(=O)/C(=C/c2cccc(C(F)(F)F)c2)C1 1088695084 TYZZEPNCAZGQDV-VAQFQWRASA-N 425.372 5.706 30 10 IKEE CSc1nc(O)c(C(=O)N(C[C@]2(Cc3ccccc3)C[C@H]3CC[C@H]2C3)C2CC2)cc1C#N 1336929515 LSHRYOKKLQMMHD-GCOVDLRRSA-N 447.604 5.034 30 10 IKEE N#Cc1cccc(NC(=O)Oc2cccc3c(NC(=O)c4cccc(C#N)c4)cccc23)c1 1858780003 KBWLZFLHXAFNBQ-UHFFFAOYSA-N 432.439 5.446 30 10 IKEE Cc1ccc(-c2csc(NC(=O)C(=O)Nc3scc(C(C)(C)C)c3C#N)n2)cc1C 1860767650 AZUCCLQUNUNUFR-UHFFFAOYSA-N 438.578 5.235 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](C)NC(=O)CCCOc1ccc2ccccc2c1 1861698181 QDQDTDRXCXJDMK-JOCHJYFZSA-N 440.628 5.760 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccccc1F 1862382994 QIMTXQJIBVPRIJ-IBGZPJMESA-N 436.310 5.757 30 10 IKEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2[C@H](C)CC)c1 1862406239 YWRABKMPLWCQGQ-HXOBKFHXSA-N 437.536 5.169 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(F)cc2)cc1 1862474980 ZYADHRAWQINMRU-AVRWGWEMSA-N 443.518 6.036 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2cccc(O)c2)cc1 1862475147 FFDYNKSRUCWZRJ-QFIPXVFZSA-N 433.891 5.133 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2ccc(F)cc2F)cc1 1862477615 OBKUVJNEBYPKEW-QHCPKHFHSA-N 433.454 5.360 30 10 IKEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(F)cc1 1862501522 DVOALGIJARZBDR-OFNKIYASSA-N 441.518 6.210 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862501566 FUOSZTHZUCWTGO-CJAUYULYSA-N 443.518 6.036 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2cccc(Cl)c2)ccc1F 1862503428 XJEABYQCHBMUAV-HJPURHCSSA-N 449.909 6.127 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1 1862605248 PELIVKYHDARCKM-RDPSFJRHSA-N 449.547 5.395 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(F)cc1F 1862616069 PQJLNKZOEDPRLZ-OAQYLSRUSA-N 427.491 5.641 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)c1 1862648906 MCVYMAMHRCPTJA-YQIFXUADSA-N 439.555 6.305 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc2c(c1)CCCN2C 1862667945 NBFBFFMUUVKSOG-VWLOTQADSA-N 446.591 5.571 30 10 IKEE C[C@@H]1CCCC[C@H]1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2cccc3ccccc23)C1=O 1863223982 CVZMBZUTUBPUBG-HOYKHHGWSA-N 435.527 5.482 30 10 IKEE N#Cc1ccc(NC2=C(c3ccccc3Cl)C(=O)N(CCC3=CCCCC3)C2=O)cc1 1863446228 WHGXAKPIAOXWKZ-UHFFFAOYSA-N 431.923 5.294 30 10 IKEE N#Cc1cc(Br)c(NC(=O)c2ccc(-c3ccccc3)o2)c(Br)c1 1866183828 OPZPUFNEXVONEO-UHFFFAOYSA-N 446.098 5.596 30 10 IKEE COc1ccc2c(c1)[C@H](c1ccccc1)N(c1cc(Nc3cccc(C#N)c3)nc(C)n1)CC2 1868467075 NOFSGOSIIOWHIB-NDEPHWFRSA-N 447.542 5.561 30 10 IKEE C=CCN(CC=C)c1nc(NC(=O)c2ccccc2F)n(-c2ccc(Cl)c(Cl)c2)n1 1870005134 YDFARMOYABKZGH-UHFFFAOYSA-N 446.313 5.144 30 10 IKEE C=CCn1cc(OCCCCOc2cccc(C)c2)c(=O)cc1CSCc1ccccc1 1870223286 NLVRETIXSSEYAO-UHFFFAOYSA-N 449.616 6.014 30 10 IKEE C=CCOc1cn(CCc2ccc(OCC)c(OCC)c2)c(CSC(C)C)cc1=O 1870246036 PEKGQPBEIOSUCQ-UHFFFAOYSA-N 431.598 5.095 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2C)c(CN(C)Cc2ccccc2)cc1=O 1870413293 YVCFNHPFEPYHBH-UHFFFAOYSA-N 446.635 6.186 30 10 IKEE CCCCCCCOc1cn(C[C@@H]2CCCO2)c(CNc2ccc(OCC)cc2)cc1=O 1870833524 MEZZFFBDCXLCJN-DEOSSOPVSA-N 442.600 5.387 30 10 IKEE CCCCCCCOc1cn(C[C@H]2CCCO2)c(CNc2ccc(C)c(C)c2)cc1=O 1870833759 RHPKIQWCDZTATQ-XMMPIXPASA-N 426.601 5.605 30 10 IKEE CCCCCCCOc1cn(CCCN(C)C)c(CNc2cccc(C)c2C)cc1=O 1870837532 KSUKWIJSVMNIAP-UHFFFAOYSA-N 427.633 5.378 30 10 IKEE C=CCn1cc(OCC2CCCCC2)c(=O)cc1CNc1cc(C(C)C)cc(C(C)C)c1 1870913313 MDBXGHNJQLOFNM-UHFFFAOYSA-N 436.640 6.852 30 10 IKEE C=CCn1cc(OCCCCOc2ccc(C)cc2)c(=O)cc1CNc1ccc(C)c(C)c1 1871225768 DUESMMNIJUVDAO-UHFFFAOYSA-N 446.591 5.810 30 10 IKEE CCCCN1COc2c(cc3c(c2C)O/C(=C\c2cc(Cl)cc4c2OCOC4)C3=O)C1 1871352453 JSQMUNLGQFTYNX-UKWGHVSLSA-N 441.911 5.083 30 10 IKEE CCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2F)C3=O)cc1 1871379648 HSQHIRLMICGQRA-QJYQMIDQSA-N 444.458 5.768 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)CCc4ccccc4)c3C)C2=O)c(OC)c1 1871385605 CAGNVLDAVFMLNT-IWIPYMOSSA-N 444.483 5.167 30 10 IKEE CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(CC)cc2)C3=O)c1 1871387325 PBTQKQGQLUDKGY-OYKKKHCWSA-N 428.484 5.792 30 10 IKEE Cc1ccccc1OCCCCOc1cc(C)c2c(c1)O/C(=C\c1ccccc1F)C2=O 1871404165 FNFLSOISNJNSGG-XYGWBWBKSA-N 432.491 6.297 30 10 IKEE Cc1c(Cl)cccc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccccc1)C2=O 1871406710 JJTZUJCBLRQPTI-NQRZERFFSA-N 447.918 5.979 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OCCOc4ccc(C(C)(C)C)cc4)c3C)C2=O)c1 1871414220 BYLHYDPOUGTPQN-ITYLOYPMSA-N 442.555 6.675 30 10 IKEE CCCOC(=O)[C@H](CC)Oc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O 1871435006 XNEUOGCKGYQBKC-HRVJUDJTSA-N 445.309 5.176 30 10 IKEE CCCCCCCCCCN=c1nc(N2CCCCC2)[nH]c(=Nc2cc(C)cc(C)c2)[nH]1 1871549451 YSHMFWUORVDTSY-UHFFFAOYSA-N 438.664 5.619 30 10 IKEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(F)cc1 1872010095 JHHZWXUYOXMNRP-QFIPXVFZSA-N 446.588 5.107 30 10 IKEE N#C[C@H](C(=O)Cc1ccc(Cl)c(Cl)c1)c1nc(-c2c[nH]c3ccccc23)cs1 1872777708 UDMFARQCCOJTFT-CQSZACIVSA-N 426.328 6.017 30 10 IKEE CCCOc1ccc(CC(=O)[C@H](C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1 1872778892 WWXUJGTYCPHHCO-QFIPXVFZSA-N 432.589 6.252 30 10 IKEE COc1cc(OC)c(-c2csc([C@H](C#N)C(=O)Cc3ccc(F)cc3)n2)cc1Cl 1872783313 WQLXSPCQDCALMS-OAHLLOKOSA-N 430.888 5.039 30 10 IKEE Cc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)COc2ccc(Cl)cc2)n1 1872785066 DQMLEQBLPSZFOF-FQEVSTJZSA-N 438.980 6.325 30 10 IKEE COc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2cc(Cl)cc(C)c2OC)cs1 1872785882 BIKWAQRBYPDCCP-INIZCTEOSA-N 442.924 5.044 30 10 IKEE C=CCN1C(=O)C(Nc2ccccc2[C@@H](C)CC)=C(c2cccc(Br)c2)C1=O 1873228658 WNJPTRCNMLLIPH-HNNXBMFYSA-N 439.353 5.341 30 10 IKEE C=CCn1c(C(=O)Nc2cccc(C(C)(C)C)c2)cc2c(NCCCOCC)ncnc21 1873605190 OHNIACNGWRMELG-UHFFFAOYSA-N 435.572 5.006 30 10 IKEE CCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1ccc(Cl)cc1Cl 1874246157 PONFCEIOVKINAH-ZVHZXABRSA-N 449.407 5.899 30 10 IKEE CCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1ccc(Cl)c(Cl)c1 1874249593 GECKBOVVGAWQBV-ZVHZXABRSA-N 449.407 5.899 30 10 IKEE C=CCSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1c(F)cccc1Cl 1874261131 JXZLJNDCCQMBFF-YSURURNPSA-N 438.862 5.088 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1c(F)cccc1Cl 1874264605 GUGQAZLTBQDBLE-FOKLQQMPSA-N 437.327 5.463 30 10 IKEE Cc1cccc(/C=N/n2c(CCc3ccccc3Cl)nnc2SCc2ccccc2)c1 1874279157 WQQRIHUGXFAVNM-WPWMEQJKSA-N 447.007 6.200 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(COc2c(C)cccc2C)nnc1SCCC 1874300398 PJCGDZZBBMBRMX-PCLIKHOPSA-N 436.581 5.423 30 10 IKEE CCOc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2cccn2C)cc1 1874301782 QMUVWEQUEGRDSS-YZSQISJMSA-N 445.592 5.089 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(Cc3ccc(Cl)cc3)nnc2SCC)cc1 1874339634 FFBOFGAZJYIDBU-KOEQRZSOSA-N 443.016 6.086 30 10 IKEE C=CCSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1cccc(OC)c1OCC 1874359665 SJEDAFNPYVOCCD-PCLIKHOPSA-N 436.581 5.053 30 10 IKEE Cc1cccc(/C=N/n2c(COc3ccccc3)nnc2SCc2cccc(C)c2)c1 1874383888 NGYVYWKWWSHPDJ-WGOQTCKBSA-N 428.561 5.648 30 10 IKEE Oc1cccc(/C=N/n2c(Cc3cccs3)nnc2SCc2cccc(Cl)c2)c1 1874414372 PAOIVYFXZQCMBJ-YDZHTSKRSA-N 440.981 5.464 30 10 IKEE O=C(O)c1ccccc1/C=N/n1c(SCc2ccccc2F)nnc1-c1cccs1 1874422471 NWCCKLUEURFOBR-FSJBWODESA-N 438.509 5.018 30 10 IKEE CCCOc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C2CC2)cc1 1874523186 ZSZKLRZOTATBCU-DHRITJCHSA-N 444.963 5.911 30 10 IKEE Fc1cccc(Cl)c1/C=N/n1c(S)nnc1COc1ccc(Cl)cc1Cl 1874569067 FUXDRNCRMMLKIO-QPSGOUHRSA-N 431.707 5.127 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2c(OCCc3ccccc3)ccc3ccccc23)cc1C 1874591161 WCDABABXLBRBDJ-CCEZHUSRSA-N 436.551 6.983 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1cccc(F)c1 1874602281 DCQWPXHVPGYZLJ-VAWYXSNFSA-N 447.462 5.946 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1cc(C)ccc1C 1874614061 BJHPTAOMAOOBGH-WUXMJOGZSA-N 449.934 5.879 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1OCc1cccc(F)c1 1874616710 OTWBZJBDRGUYLU-FMIVXFBMSA-N 435.451 5.916 30 10 IKEE CCCCC(=O)Oc1cc(/C=C/C(=O)c2cc(Cl)c(OC)cc2OC)ccc1OC 1874712052 PRHALQMAHKRFOV-CSKARUKUSA-N 432.900 5.358 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc1OC(=O)c1ccccn1 1874714696 JTNCWGABGKPXIL-VQHVLOKHSA-N 437.879 5.176 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cccc(OC(=O)CC2CCCCC2)c1 1874715290 MDMPZXOVCCJHTL-VAWYXSNFSA-N 426.940 6.429 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)cc2)c(Cl)c1)c1ccc2ccccc2c1 1875096202 BGJDJHYLFYYRNI-WLRTZDKTSA-N 430.862 6.748 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)c3ccccc3)c(OC)c2)cc1OC 1875103738 NIFUUSXKUGREMU-HGZMWJMZSA-N 446.499 5.318 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)C(F)(F)F)c(OC)c2)cc1C 1875108128 YVRYNQZADNYABE-GQCTYLIASA-N 428.790 5.029 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)CCc1ccccc1 1875117690 IBRXWMGDAOTXSD-VGOFMYFVSA-N 431.444 5.038 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)Cc1ccccc1F 1875119822 OGPNFISVTIQACX-WYMLVPIESA-N 434.463 5.277 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)COCc3ccccc3)c(OC)c2)cc1 1875131469 ZQTWQYTZNCFVOJ-OQLLNIDSSA-N 446.499 5.112 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 1875135488 SJPLEWDNDVQRLW-UXBLZVDNSA-N 442.254 6.017 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)CCCOc1cccc(C)c1 1875136800 XHGILIQRIRNWAH-RVDMUPIBSA-N 444.527 5.973 30 10 IKEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3C)cc2)cc1[N+](=O)[O-] 1875138014 MKBPYCRNSPQEBZ-XYOKQWHBSA-N 431.444 5.336 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3)c(OC)c2)cc1 1875138880 IIMWLEDYBDVJGC-OQLLNIDSSA-N 430.500 5.528 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)c1ccccc1 1875156076 ZWCCHCAVZSTBSG-XNTDXEJSSA-N 430.500 5.943 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)c1cc(C)cc(C)c1 1875157827 QCNWYLHSMYXXNL-BJMVGYQFSA-N 434.463 5.575 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)CCc1ccccc1OC 1875158828 OXKSNKOHPVDVFM-OVCLIPMQSA-N 448.490 5.667 30 10 IKEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2cccc(C)c2)c(Cl)c1 1875170820 RLPAXRGSKIGMLW-CSKARUKUSA-N 434.919 6.389 30 10 IKEE C#CCN1CC[C@@H](NCC)[C@@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875652751 URZZWONZNRFISD-UHSQPCAPSA-N 440.587 5.203 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)C(C)(C)C1CCN(C(=O)OC(C)(C)C)CC1 1922108754 WRJPQDMBPUNXHV-DEOSSOPVSA-N 444.660 5.801 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1CC2(CCCC2)CN1C(=O)OC(C)(C)C 1922116351 PNONOLVCSNKXFG-DNQXCXABSA-N 442.644 5.697 30 10 IKEE C=C[C@@](CCC)(NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](CC(C)C)C(=O)O 1927538766 HWPBTIVSCQAFGT-SQHAQQRYSA-N 435.564 5.997 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H]([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 1944698080 ODIJUTSQTALYAZ-LPHOPBHVSA-N 449.979 5.621 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 1944698928 WBGJYFLBVUOSDO-AZUAARDMSA-N 429.561 5.276 30 10 IKEE C#Cc1ccccc1[C@@H](CCCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 1951971946 XJGMVLITRDIXHG-AREMUKBSSA-N 439.511 5.503 30 10 IKEE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1(C#N)CCCCCCC1 1984696607 YXCSMIZEECGDTQ-IBGZPJMESA-N 445.563 5.036 30 10 IKEE CCCCCCCC[C@@H](O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997449500 SXODUQKYHDBQKF-BVAGGSTKSA-N 433.633 5.942 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1)NCCC 2006570594 JYPCKWXFGDBRFO-GOTSBHOMSA-N 430.633 5.553 30 10 IKEE C=C1CCC(C[C@@H](NC)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)CC1 2041894869 WNVZJPBAKCYSEX-SHQCIBLASA-N 442.644 5.555 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](N)Cc1cc(Cl)c(C)c(Br)c1 2048645547 MEUMHYWQEDKONC-IAGOWNOFSA-N 431.802 5.140 30 10 IKEE CCc1ccc([C@H](C(C)C)n2nc(C(F)F)c(/C=N/O)c2I)cc1 2078981321 LTHYIWRPZPIMKI-PZEXIZOFSA-N 447.267 5.041 30 10 IKEE Cc1ccc([C@@H](C2CCC2)n2nc(C(F)(F)F)c(/C=N/O)c2Br)cc1C 2079016678 QJPCOQAGMFTTMO-MJGXDETHSA-N 430.268 5.479 30 10 IKEE CC(C)c1nn([C@@H](c2ccc(C3CC3)cc2)C2CC2)c(I)c1/C=N/O 2079022591 IPQYDQBJYGNPTH-QKXOWGBTSA-N 449.336 5.296 30 10 IKEE C=CCCCCCCNc1c(Br)cc(Br)cc1Br 2085851632 JEPKOIWLSCUEQI-UHFFFAOYSA-N 440.017 6.523 30 10 IKEE Cc1cc(F)c([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)c(Br)c1 2116785776 BGTSHAZMVKYDPC-KRWDZBQOSA-N 425.342 6.031 30 10 IKEE C=CCN(CC[C@H](NCCC)c1c(F)cccc1Br)C(=O)OC(C)(C)C 2116830964 URCDQXUKJYCECV-KRWDZBQOSA-N 429.374 5.442 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](Nc2ccc(C#N)c(Br)c2F)CC1 2133523306 BIHIKESBYSXDRW-ZIAGYGMSSA-N 426.330 5.098 30 10 IKEE C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNc2ccc(Br)cc2C#N)cc1 2162319790 DSAWYRHKRCEZNJ-AWEZNQCLSA-N 430.346 5.519 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(C#N)cc2Br)CC12CCCC2 2194601246 UARHKCTWVNLQAT-MRXNPFEDSA-N 434.378 5.445 30 10 IKEE C=C[C@@H](C)C[C@@H](NCC)c1sc(Br)c(Br)c1Br 2216492610 PTADTJPGSNJMCD-HTQZYQBOSA-N 446.046 5.898 30 10 IKEE C=CCCCCCCC[C@@H](N)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2227286152 WSONHLYKAMTHOR-GOSISDBHSA-N 425.411 6.713 30 10 IKEE C=C(C)CC[C@@H](NCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229107126 GFFPYULGFVRFHV-MOPGFXCFSA-N 425.411 5.219 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCC)c2sc(Br)c(C)c2C)C1 2265892459 SWFYTQOREISEJZ-INIZCTEOSA-N 443.451 5.639 30 10 IKEE CC1(C)OB(c2ccc(F)c(C(=O)N(Cc3ccccc3)C3CCCCC3)c2)OC1(C)C 2267408768 KCMCUNLMCLPRCV-UHFFFAOYSA-N 437.364 5.100 30 10 IKEE CC(C)(C)C#CC=CC[C@H](N)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2268747653 JYEBPOXIKNXUQJ-MHZLTWQESA-N 439.599 6.840 30 10 IKEE C=CCc1cc(C=C2SC(=Nc3cc(Cl)ccc3C)NC2=O)cc(OCC)c1O 2294137448 DOXZLRUSQVIDQR-UHFFFAOYSA-N 428.941 5.373 30 10 IKEE CCN[C@H](C#Cc1ccc(Br)cc1)C(C)(C)[C@H](CC)NC(=O)OC(C)(C)C 2296296862 SKQOTVGXPAITOB-RBUKOAKNSA-N 437.422 5.108 30 10 IKEE O=C1C(=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)Sc2ccccc21 2297320276 ZSBCAFVMOKKWIF-UHFFFAOYSA-N 436.363 7.326 30 10 IKEE C=C1C(=CC=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCCC(C)(C)O)C[C@@H](O)C[C@@H]1O 2297719533 WKTIGYIYJKESCJ-VLHHGOEJSA-N 430.673 6.095 30 10 IKEE C=CC[C@](C)(CC)[C@H](O)c1sc(Br)c(Br)c1Br 2304124227 BSVZJKUXVHRMGF-PWSUYJOCSA-N 447.030 6.061 30 10 IKEE C=CCN1C(=O)C(=Cc2cn(Cc3ccc(F)cc3Cl)c3ccccc23)SC1=S 2313653131 TYMYJCKYSGCWMB-UHFFFAOYSA-N 442.968 5.869 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C(=O)C=Cc3c(Cl)cccc3Cl)cc2)c1 2314429763 OFKICYNDJGDROW-UHFFFAOYSA-N 427.283 6.117 30 10 IKEE CC(C)c1ccc(C=C2Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc3C2=O)cc1 2314438236 MDHQUPNGFBBFKP-UHFFFAOYSA-N 429.428 5.554 30 10 IKEE CC(=C1SC(=Nc2cccc(C(=O)O)c2)N(C2CCCCC2)C1=O)c1ccc(O)cc1 2314547781 MHXQOJBMWCAAIF-UHFFFAOYSA-N 436.533 5.417 30 10 IKEE COc1cccc(C=Nn2c(S)nnc2C(C)(C)C)c1OCc1c(F)cccc1Cl 2321908563 IVBPQBOEMIZEPA-UHFFFAOYSA-N 448.951 5.127 30 10 IKEE COc1cccc(C=CC(=O)c2cccc(Br)c2)c1OCCc1ccccc1 2322466376 RXMWKKNYGFQDSM-UHFFFAOYSA-N 437.333 5.975 30 10 IKEE COc1cc(OC)cc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(C)c2)C3=O)c1 2322805952 GKIJLPXJJWQSMN-UHFFFAOYSA-N 430.456 5.156 30 10 IKEE C=C(C)COc1c(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)cc(Cl)cc1OC 2322828485 OWRXWJXFOBCFAH-UHFFFAOYSA-N 441.738 6.515 30 10 IKEE CCCOC(=O)COc1ccc(Cl)cc1C=CC(=O)c1cc(Cl)cc(C)c1OC 2322930444 KPMUACDHBFMBMM-UHFFFAOYSA-N 437.319 5.539 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3cccc(C)c3)c2)cc1C 2323078666 LEPVISAQEIIODB-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE Cc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cn(C)c4ccccc24)C3=O)cc1C 2323247893 BLDREFCIAWFVAF-UHFFFAOYSA-N 437.495 5.939 30 10 IKEE Cc1cc(OC(=O)c2ccc(Cl)c(Cl)c2)cc2c1C(=O)C(=Cc1ccncc1)O2 2323259385 YDRPMJQIVHSXGR-UHFFFAOYSA-N 426.255 5.532 30 10 IKEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OCC(=O)Nc2ccc(C)c(C)c2)c1 2323336057 ZUBQBMMBSUYQRK-UHFFFAOYSA-N 449.934 5.879 30 10 IKEE C=C(C)COc1c(Br)cc(C=CC(=O)c2cccc(OC)c2)cc1OCC 2323503980 ZOFFVXLQFYQRFK-UHFFFAOYSA-N 431.326 5.707 30 10 IKEE O=C(C=Cc1ccc(OCc2cccc3ccccc23)c([N+](=O)[O-])c1)c1ccc(F)cc1F 2323721420 SNFKORJTFAKNEF-UHFFFAOYSA-N 445.421 6.501 30 10 IKEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(F)cc3F)cc2OC)o1 2323743285 KEYXSYDQALNNLA-UHFFFAOYSA-N 442.414 5.218 30 10 IKEE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1 2323812913 CUZBWPMAJWFROW-UHFFFAOYSA-N 442.511 6.433 30 10 IKEE COc1cc(C=NNc2nc(-c3ccccc3)c(C)s2)cc(Br)c1OC 2323865044 AAYFDEZLQUNNRV-UHFFFAOYSA-N 432.343 5.344 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OCc2cccc(Cl)c2)c([N+](=O)[O-])c1 2323997457 QAVCOWFVETVGMM-UHFFFAOYSA-N 437.879 6.040 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OCc3cccc4ccccc34)c(Cl)c2)cc1 2324158641 LABLKOVAIUCTSC-UHFFFAOYSA-N 440.970 8.092 30 10 IKEE Cc1cccc(COc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2Br)c1 2324162739 WLLPIADAJYUAPE-UHFFFAOYSA-N 449.388 7.356 30 10 IKEE Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccncc2)C3=O)c(C)c1 2324331969 LITJPICGTCMUNB-LJQANCHMSA-N 442.515 5.337 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(Cl)c(Cl)c3)n2)cc1 2324430201 XCYGVNJZRILETH-INIZCTEOSA-N 429.328 6.015 30 10 IKEE COc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3cccc4ccccc34)cs2)c(OC)c1 2324637586 QLJRIUVBXYZWIH-QFIPXVFZSA-N 440.524 5.870 30 10 IKEE CCCC[C@H](Oc1ccc2c(c1C)OC(=Cc1ccc(Cl)cc1Cl)C2=O)C(=O)O 2324781288 MNOWQNRWMUKQHZ-SFHVURJKSA-N 435.303 5.940 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C)cc4Cl)cc(C)c3C2=O)cc1 2325299015 VTNBJCMQGZRDJC-UHFFFAOYSA-N 447.918 5.899 30 10 IKEE CCOC(=O)c1ccc(COc2ccc3c(c2C)OC(=Cc2ccc(N(C)C)cc2)C3=O)o1 2325402337 PKGSCGOBQNFTJF-UHFFFAOYSA-N 447.487 5.026 30 10 IKEE O=C(CCCOc1ccccc1)Oc1cccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)c1 2325684684 MJOJFBHSJURNQD-UHFFFAOYSA-N 431.444 5.256 30 10 IKEE Cc1ccc(C)c(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2C)C3=O)c1 2325741172 VSVDAODLXWADIR-UHFFFAOYSA-N 427.500 5.554 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OC(=O)COc1ccc(C)c(C)c1 2325741295 UYDQHVSNBYOFBT-UHFFFAOYSA-N 448.490 5.640 30 10 IKEE CCc1ccc(CCC(=O)Oc2cccc(C=CC(=O)c3cc(C)cc(C)c3OC)c2)cc1 2325757844 HMRUKRYKYZUVCO-UHFFFAOYSA-N 442.555 6.309 30 10 IKEE C=CCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1N=Cc1cccnc1 2325856064 MMYBRINPTXFTSX-UHFFFAOYSA-N 435.597 5.143 30 10 IKEE COc1ccc(Br)cc1C=Nn1c(C)nnc1SCc1cc(C)ccc1C 2326589374 UIBXSZWVPXGSHU-UHFFFAOYSA-N 445.386 5.149 30 10 IKEE C=CCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1c(Cl)cccc1Cl 2328499589 CESDIEYRLZJNAZ-UHFFFAOYSA-N 448.335 5.244 30 10 IKEE CCCSc1nnc(CCc2ccccc2OC)n1N=Cc1ccc(Cl)c(Cl)c1 2328699773 PIHVFKQFBAWVSE-UHFFFAOYSA-N 449.407 5.763 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1cc(OC)ccc1OC 2329097449 IROJRPVWWNKJEF-UHFFFAOYSA-N 442.972 5.090 30 10 IKEE Cc1cccc(CSc2nnc(CCc3ccccc3C)n2N=Cc2ccncc2)c1 2329477799 OSKRSMXHWCIVND-UHFFFAOYSA-N 427.577 5.250 30 10 IKEE Cc1ccc(C)c(CSc2nnc(CCc3cccs3)n2N=Cc2ccccn2)c1 2329667558 KRERNUZKSBLVPM-UHFFFAOYSA-N 433.606 5.311 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2ccccc2)n1N=Cc1cccc([N+](=O)[O-])c1 2330459112 MLIITIQZGNZBMH-UHFFFAOYSA-N 443.532 5.260 30 10 IKEE CCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1OCC 2330819430 NNQMVWOMDVZOLU-UHFFFAOYSA-N 441.738 6.647 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccc(Cl)cc1 2330825867 UWIIASMEPSSFJT-UHFFFAOYSA-N 443.960 5.603 30 10 IKEE CC(C)(C)Cc1nnc(SCc2ccccc2)n1N=Cc1ccc(Cl)c(Cl)c1 2330842525 YIFBNEMADHNMTL-UHFFFAOYSA-N 433.408 6.348 30 10 IKEE Cc1cccc(C=Nn2c(SCc3cccc4ccccc34)nnc2[C@@H]2CCCO2)c1 2330976925 KDBHWMFPJVHQHM-QHCPKHFHSA-N 428.561 5.766 30 10 IKEE Clc1ccc(CSc2nnc(C3CCCC3)n2N=Cc2ccccn2)c(Cl)c1 2331094163 MUVLEAQPUVIDFW-UHFFFAOYSA-N 432.380 5.812 30 10 IKEE Cc1cccc(C=Nn2c(SCC(=O)N[C@H](C)c3ccccc3)nnc2C2CCCC2)c1 2331094225 ZNEURCYQJUBZNA-LJQANCHMSA-N 447.608 5.096 30 10 IKEE CC(C)(C)c1ccc(C=Nn2c(SCc3ccccc3F)nnc2C(F)(F)F)cc1 2331138146 ZXTDDOIOAGHBRS-UHFFFAOYSA-N 436.478 5.908 30 10 IKEE Cc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C(F)(F)F)cc1 2331164125 DQTNEKWKDVWFIP-UHFFFAOYSA-N 428.842 5.572 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3)c(OCC)c2)cc1 2331206783 JXFHFNKSRHXFGV-UHFFFAOYSA-N 430.500 5.528 30 10 IKEE O=C(O)c1ccccc1C=Nn1c(SCc2ccc(Cl)cc2)nnc1-c1ccco1 2331224395 ANKNGWGWHHXXQW-UHFFFAOYSA-N 438.896 5.064 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC(=O)CCC 2331251008 GXFRJECJFYSDAY-UHFFFAOYSA-N 433.331 6.332 30 10 IKEE CCc1ccc(C=Nn2c(CC(C)C)nnc2SCC(=O)Nc2cc(C)ccc2C)cc1 2331424701 HBBSXHMWOKCRED-UHFFFAOYSA-N 449.624 5.269 30 10 IKEE CCOc1cccc(C=Nn2c(SCc3cccc4ccccc34)nnc2C2CCC2)c1 2331534447 IIGDQIKVESVXOT-UHFFFAOYSA-N 442.588 6.272 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc([N+](=O)[O-])c1OC(=O)CC(C)C 2331563395 NJZBEGKRBKHMAM-UHFFFAOYSA-N 433.407 5.119 30 10 IKEE CCCCCOc1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2C2CC2)cc1 2331717475 UWXXCEVZUNPPLL-UHFFFAOYSA-N 434.609 6.207 30 10 IKEE CC(C)(C)OC(=O)Nc1cccc(Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)c1 2339586865 MASZOXSQSDGORG-UHFFFAOYSA-N 437.349 5.817 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C/c2cccc(Cl)c2)C3=O)cc1OC 2413734 HBDJKSMKQDVIJF-SSDVNMTOSA-N 436.847 5.193 30 10 IKEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)c(Cl)c2)cc1 21224867 YIXMEADIHICXIO-FUHWJXTLSA-N 444.358 5.787 30 10 IKEE CC(C)(C)C1CCC(C(=O)On2c(-c3cccc(Cl)c3)nc3ccccc3c2=O)CC1 27527719 VXRHAXVEDKKOIH-UHFFFAOYSA-N 438.955 5.525 30 10 IKEE O=C(/C=C\c1ccc(Cl)cc1)/N=C1\c2ccccc2CN1c1cccc(C(F)(F)F)c1 34863509 NKMXOTFNSBUBAH-AETAIHJNSA-N 440.852 6.366 30 10 IKEE Cc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1Cl)C2=O 35550216 UMRMKRJWDKZJSW-JAIQZWGSSA-N 425.267 6.137 30 10 IKEE C=CCOc1ccc([C@H]2c3c(-c4cc(Cl)c(C)cc4O)n[nH]c3C(=O)N2CC=C)cc1 39914524 INBWKUBWERKYNA-QHCPKHFHSA-N 435.911 5.040 30 10 IKEE C=CCc1ccccc1OCCCn1c([C@H](C)NC(=O)C(CC)CC)nc2ccccc21 40189457 WPNJGBJOAJGWSQ-FQEVSTJZSA-N 433.596 5.847 30 10 IKEE CC(C)(C)c1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3cccnc3)CO4)C2=O)cc1 41659274 HGRUZNKSZYUEEB-CFRMEGHHSA-N 426.516 5.347 30 10 IKEE CCCCCCN(CCCCCC)CN1C(=O)/C(=N\c2ccc(OC)cc2)c2ccccc21 59377267 AQBDZUCLPDCUST-OHYPFYFLSA-N 449.639 6.583 30 10 IKEE O=C(Cc1ccc(Cl)cc1)Sc1nc2ccc(/N=C/c3ccc(F)cc3)cc2s1 59517633 STDHEDDBFBGXEH-DHRITJCHSA-N 440.952 6.701 30 10 IKEE CCCC/N=C(/C=C1/SN(CCC)C(=S)N1c1ccccc1)c1ccc(Cl)cc1 96482742 WIORRTOUMOHFKB-CRNRPYCGSA-N 444.069 6.936 30 10 IKEE Cc1ccc(-c2csc3nc(Cc4ccccc4)n(Cc4cccc(C#N)c4)c(=O)c23)cc1 96534003 HGHIUKHLENMQFS-UHFFFAOYSA-N 447.563 5.944 30 10 IKEE O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1ccccc1)c1c([nH]n(-c3ccccc3)c1=O)N2 98036956 HACHTJIALLNKIG-VGSWGCGISA-N 439.540 5.185 30 10 IKEE Cc1ccc2nc(-c3ccc(/N=C/c4c5ccccc5cc5ccccc45)cc3)sc2c1 100054483 LPLMEUVEBMPYMZ-UXHLAJHPSA-N 428.560 8.329 30 10 IKEE CCCCCCCOc1cccc(NC(=O)CNc2ccccc2OCCOCC)c1 100088498 RAXRQQMCPUEROH-UHFFFAOYSA-N 428.573 5.502 30 10 IKEE CCCCCCCOc1cccc(NCC(=O)Nc2cccc(C(=O)NCCCC)c2)c1 100090208 LDSAFAJRVPPKLB-UHFFFAOYSA-N 439.600 5.616 30 10 IKEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1ccc(C(=O)NCCC)cc1 100444193 FBQVKOORDFWLAW-UHFFFAOYSA-N 447.689 6.341 30 10 IKEE CCCCCCCCCn1c([C@H]2CC(=O)N(c3ccccc3OCC)C2)nc2ccccc21 101325334 QLOMFNCTKDRQJS-QFIPXVFZSA-N 447.623 6.706 30 10 IKEE CCCCCCCCCCn1c(CCNC(=O)c2ccc(Cl)cc2)nc2ccccc21 102140114 HJLNEGGFQUBIKT-UHFFFAOYSA-N 440.031 6.803 30 10 IKEE CCCCCCCCCCCCCCCCC[C@H]1Nc2ccccc2N1Cc1ccccc1 111488428 AJATUGKHKMBOFD-HKBQPEDESA-N 448.739 9.706 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2sc(C)nc2C)=C(O)C(=O)N1c1cc(C)ccc1C 169943946 WMMLCRMGIFZSQJ-OAQYLSRUSA-N 448.544 5.168 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccc(O)cc2)cc1C 169959978 GUWGITCYBFCGTD-XMMPIXPASA-N 438.483 5.273 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(OC(C)C)cc2)cc1 169979248 GGLVFEJZUYYVEN-DEOSSOPVSA-N 433.548 5.557 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]2c2cccs2)cc1 169986536 FZLQVVLHNKTTIX-OAQYLSRUSA-N 437.948 6.055 30 10 IKEE CCOc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2cccc(C)c2)cc1 170028573 GIVHIOLWQXYKSF-OAQYLSRUSA-N 448.544 5.250 30 10 IKEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cn(C)c3ccccc23)s1 170084213 NJXXVOAHFCNVRD-OAQYLSRUSA-N 443.528 5.035 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccc(F)cc2)c1 170140566 DKBOHLDHUAHENG-HSZRJFAPSA-N 427.431 5.663 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1cccc(C)c1 170147621 MOYWZVKHACAMHI-JOCHJYFZSA-N 437.923 6.163 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2cccs2)cc1 170157356 JVOQWXHXPTYJHS-JOCHJYFZSA-N 449.528 5.271 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccs1 170162649 GTZCXWGWRVUZDQ-GOSISDBHSA-N 443.908 5.090 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2cccs2)cc1C 170162964 CRHHZAIUKSOYRV-QFIPXVFZSA-N 448.544 5.019 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccs2)cc1Cl 170163822 IJFXWTDBAMNHHQ-IBGZPJMESA-N 431.941 5.321 30 10 IKEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccs2)cc1C 170164036 DVHDNCJHHLUTAD-OAQYLSRUSA-N 425.550 5.285 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1)c1ccc(Cl)c(Cl)c1 170223459 NVFKINLLYGGBEP-FQEVSTJZSA-N 442.273 5.915 30 10 IKEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccccc1)c1cc2cc(Cl)ccc2o1 170231073 KPHKVIFFWHZEAL-QFIPXVFZSA-N 444.874 5.260 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccc(F)cc2)cc1 170240246 JKQKNSJSCQNLDU-DEOSSOPVSA-N 445.490 5.706 30 10 IKEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccc2C)ccc1Cl 170271362 XBQROZUDWCMKJZ-QHCPKHFHSA-N 447.918 5.748 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1c1ccccc1C 170273165 CPVLYQRMBZNGSJ-RUZDIDTESA-N 441.527 5.874 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccco1 170284106 BDNDXGKEQUCFQL-XMHCIUCPSA-N 449.890 5.348 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC(C)C)c3)[C@H]2c2ccco2)cc1C 170284882 ACYUKAIQFPJFJF-XMMPIXPASA-N 445.515 5.714 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccco2)c1 170285752 PFTREBDSWUGVRP-MWTRTKDXSA-N 429.472 5.003 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)cc(Cl)c2OC)[C@@H]1c1ccco1 170294806 RTEUYPBHWZZELT-KRWDZBQOSA-N 438.307 5.364 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2cc(F)ccc2F)o1 170306035 BLFKZEPAUCWWAU-OAQYLSRUSA-N 434.398 5.130 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@H]1c1c(C)[nH]c2ccccc12 170311829 QKTVJENXVCIURK-HSZRJFAPSA-N 446.547 5.480 30 10 IKEE O=C(C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)[C@@H]1c1cccc(O)c1)c1ccccc1 170387882 QBHOAFUWUWJTAD-HXUWFJFHSA-N 439.389 5.194 30 10 IKEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 170415069 FSZAEGFPUKZNRR-QFIPXVFZSA-N 449.547 5.963 30 10 IKEE CCn1c2ccccc2c2cc(NC(=O)/C=C\c3ccc(OCC#N)c(OC)c3)ccc21 207742074 LFJPMHOETGFQHN-LCYFTJDESA-N 425.488 5.377 30 10 IKEE CCOc1ccc(N2C(=O)C(=O)/C(=C(O)/C=C/c3ccccc3)[C@@H]2c2ccccc2)cc1 229181656 RWRNKYRPZNKWEG-MPRIJYMESA-N 425.484 5.268 30 10 IKEE Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)Nc2c(Cl)cccc2Cl)n1 248074128 HAMQCTLVZTXIKX-VIFPVBQESA-N 434.270 5.707 30 10 IKEE Cc1ccc(S(=O)(=O)Nc2ccccc2C=Nc2nc3ccccc3n2C(C)C)cc1 254519625 CVZAIBUDSGPUEU-UHFFFAOYSA-N 432.549 5.477 30 10 IKEE COc1ccc(C=NNc2nc(-c3ccc(OC(C)C)cc3)nc3ccccc23)c(OC)c1 254628364 BZOVXRBOVHBUTF-UHFFFAOYSA-N 442.519 5.547 30 10 IKEE CCCN[C@H](CC#CC(C)(C)C)c1cc(I)ccc1Br 383449521 AHSCVARTPGYICS-MRXNPFEDSA-N 448.186 5.534 30 10 IKEE Cc1cccc([C@@H]2C(c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 526490105 ZKHXBPMZDGGGOG-AREMUKBSSA-N 438.527 5.959 30 10 IKEE COc1ccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1Cl 526520696 JHYZFLJVMATFKG-JOCHJYFZSA-N 434.854 5.417 30 10 IKEE COc1cc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccco2)ccc1OCC(C)C 526610010 ZUOSXPJECIXESF-XMMPIXPASA-N 444.487 5.252 30 10 IKEE CCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1c(C)n(CC)c2ccccc12 526804996 CKFFWQQKOWVIFR-QQXSKIMKSA-N 431.609 5.997 30 10 IKEE CCOc1ccc(/C=N\n2c(CC)nnc2SCc2cccc(Cl)c2)c(OCC)c1 526811210 DVFSLPYCLQZTMX-OYKKKHCWSA-N 444.988 5.466 30 10 IKEE CCCCOc1ccc(/C=N\n2cnnc2SCc2ccc(Cl)c(Cl)c2)cc1 526812594 BZOVYZUGCDBYOR-MSXFZWOLSA-N 435.380 5.938 30 10 IKEE CCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1ccc(C(=O)O)cc1 526814149 AJUFHGUHTFSCLM-YVNNLAQVSA-N 435.336 5.020 30 10 IKEE CCOc1ccc(/C=N\n2cnnc2SCc2c(Cl)cccc2Cl)cc1Cl 526814466 OTXMBPWZLMHQIH-AQHIEDMUSA-N 441.771 5.812 30 10 IKEE C[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)CN1Cc1ccccc1 698889556 DUCJLEIATQHMDG-HOYKHHGWSA-N 425.960 5.638 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1ccc(I)cc1 829348680 VMORMDAKXVETJN-GOSISDBHSA-N 448.304 5.606 30 10 IKEE COc1cc(C=Nc2cccc(Br)c2)ccc1OCc1cccc(C(=O)O)c1 1084296160 LQYDYIGSRBILRW-UHFFFAOYSA-N 440.293 5.486 30 10 IKEE CC(=C\c1ccccc1)/C=C1/SC(=Nc2cccnc2Cl)N(C2CCCCC2)C1=O 1772734581 QBLZUOUUZBQXBP-JEQBBBNPSA-N 437.996 6.618 30 10 IKEE Cc1c(N=Nc2ccccc2C(=O)c2ccccc2)c(O)n(C2CCCC2)c(=O)c1C#N 1772741495 QBZOOQGWHZGRRP-UHFFFAOYSA-N 426.476 5.496 30 10 IKEE N#CCc1ccnc(-c2ccc(OC(F)(F)F)cc2)c1-c1ccc(OC(F)(F)F)cc1 1848361714 GGFVVZCVTPWOKV-UHFFFAOYSA-N 438.327 6.279 30 10 IKEE CCCCCCCCCSc1nc(Cl)c2c(C)c(C(=O)OC(C)C)sc2n1 1857801284 BIJUNBHJJYIBLK-UHFFFAOYSA-N 429.051 7.061 30 10 IKEE C[C@H](Sc1nc(O)c(C#N)c(-c2cccc(Cl)c2)n1)C(=O)Nc1ccc(Cl)cc1 1860463462 AYCHXAHJAZRSGM-NSHDSACASA-N 445.331 5.147 30 10 IKEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)/C=C/c1ccc(Cl)cc1Cl 1861555207 HDBKXAMVHYGKBJ-AXDNMFEOSA-N 441.443 6.158 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)Oc1ccccc1C(C)C 1861659725 UCWUOVCUWVBPLI-UPVQGACJSA-N 444.660 5.825 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccc(C)cc2)cc1OCCC 1862424745 HJLPIWTUMDFDCC-XMMPIXPASA-N 449.547 5.313 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc2cc[nH]c2c1 1862432661 KATUNNMCFTZWSX-LDLFBNOTSA-N 448.950 5.978 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(OCc2ccccc2)cc1 1862455297 RLTYNLQHSSYNDG-QHCPKHFHSA-N 447.918 5.517 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1cccc(F)c1 1862458773 VIZUBTAGKOMSQM-NWXLUKJOSA-N 447.428 5.400 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862474987 ZZDMOGOOBAGPDA-VWLOTQADSA-N 425.528 5.644 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862476757 DWZLQHJELIKXJG-RUZDIDTESA-N 440.543 5.945 30 10 IKEE CCCCCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C(C)C)cc1 1862497859 USAKJVNDFDKOHB-XMMPIXPASA-N 435.564 5.859 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2cccc(F)c2)cc1 1862529908 LBSKLKYTJLNQQL-DEOSSOPVSA-N 435.539 6.079 30 10 IKEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)c1 1862532940 HVCFZTHVHUGYMN-DVKBMCPXSA-N 447.575 5.805 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1ccc(Cl)cc1Cl)c1ccc2c(c1)CCCC2 1862553963 RNVUNWAMWCHQJJ-OAQYLSRUSA-N 442.342 5.613 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(C(C)(C)C)cc2)=C(O)C(=O)N1Cc1cccnc1 1862614021 VWPIDNQRWFJGLP-XMMPIXPASA-N 440.543 5.466 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C[C@H](C)O)cc1 1862616874 UHTWZLXCXJMGPG-GAJHUEQPSA-N 435.564 5.067 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccccc2C)c1 1862648455 BGIRQSBQLFTGBM-MHZLTWQESA-N 447.534 6.235 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862680680 HYKJLPAICHASMW-IBGZPJMESA-N 446.862 5.156 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3cccc4cccnc34)C2=O)cc1C 1862870810 MPCLDPZCSDZTSR-UHFFFAOYSA-N 444.494 5.120 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(C(C)C)cc2)=C(c2ccc(C)c(C)c2)C1=O 1863252918 KIMAAIYXNYTDBZ-UHFFFAOYSA-N 446.635 6.979 30 10 IKEE Cc1ccc(-c2nc(Nc3ccccc3C#N)cc(N3CCO[C@H](c4ccncc4)C3)n2)cc1 1868327563 WIBQMZPTGGROLO-DEOSSOPVSA-N 448.530 5.040 30 10 IKEE CCCCCCCOc1cn(CCOc2ccc(OC)cc2)c(CSC(C)C)cc1=O 1870259752 HHXHCKVGAFJUSN-UHFFFAOYSA-N 447.641 5.927 30 10 IKEE C=CCn1cc(OCc2ccccc2)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870270323 IINBPNFICPLMGA-UHFFFAOYSA-N 431.561 5.098 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(OC)cc2)c(CN2CCCCC2)cc1=O 1870414315 KXJUNDSLDPYGLY-UHFFFAOYSA-N 426.601 5.240 30 10 IKEE C#CCOc1cn(CCCCCCCC)c(CN(CCCC)CCCCCC)cc1=O 1870560192 LJUWGGLFKLNWOY-UHFFFAOYSA-N 430.677 6.403 30 10 IKEE CCCCCCCCn1cc(OCC(=O)OC2CCCCC2)c(=O)cc1CN(CC)CC 1870574607 WDCONFNZMFMMDV-UHFFFAOYSA-N 448.648 5.305 30 10 IKEE CCCCCCCCCCn1cc(OCCO)c(=O)cc1CNc1ccc(F)c(F)c1 1870791598 DEBKHVKYHXPLRL-UHFFFAOYSA-N 436.543 5.250 30 10 IKEE CCCCCCCOc1cn(Cc2ccncc2)c(CNc2ccc(C(C)C)cc2)cc1=O 1870836084 OCCHXNPDQQQUCW-UHFFFAOYSA-N 447.623 6.376 30 10 IKEE Cc1c(OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)ccc2c1O/C(=C\c1ccc(F)cc1)C2=O 1871377612 UKHCAFABJDCWEE-BWXIOLLUSA-N 445.402 5.277 30 10 IKEE Cc1cccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(/C=C/C(=O)O)cc4)c3C)C2=O)c1 1871382094 MYEMFFARGUJBBS-DIBFYORYSA-N 440.451 5.237 30 10 IKEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)c(OC)c1 1871386770 MGBMQERTANFRFS-VQUKJFRASA-N 442.467 5.404 30 10 IKEE CCCC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2)C3=O)c1 1871391217 PLDTWDOJHIRYQF-UCQKPKSFSA-N 442.467 5.536 30 10 IKEE CCCOc1cc(C)c2c(c1)O/C(=C\c1cc(Br)cc3c1OCOC3)C2=O 1871398537 VHPMQVSZVCQRHI-LSCVHKIXSA-N 431.282 5.029 30 10 IKEE Cc1cc(OCCCCOc2ccccc2)cc2c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O2 1871403064 CPNHQTAQQQZSGM-IMRQLAEWSA-N 442.555 6.973 30 10 IKEE COc1cccc(/C=C2\Oc3cc(OCCCOc4ccc(C)cc4)cc(C)c3C2=O)c1 1871405351 KBLKPBVPUYAIIS-XYGWBWBKSA-N 430.500 5.776 30 10 IKEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1 1871407625 MZDIFZWBYRNSGV-APQFFPOMSA-N 441.527 6.141 30 10 IKEE COc1ccc(OCCCOc2cc(C)c3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871415794 SXHIRDGOYUIIOL-XYGWBWBKSA-N 430.500 5.776 30 10 IKEE CCc1cccc(C)c1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccccc1)C2=O 1871424269 CVGDMNOBKCHFPX-HAHDFKILSA-N 427.500 5.500 30 10 IKEE CCn1cc(/C=C2\Oc3c(ccc(OCCN4CCCC4)c3C)C2=O)c2cc(OC)ccc21 1871449698 SRQBNDCHFAFLPN-MYYYXRDXSA-N 446.547 5.069 30 10 IKEE N#C[C@H](C(=O)C(c1ccccc1)c1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1872759268 IVSNEKYTDCVHBR-OAQYLSRUSA-N 439.496 5.727 30 10 IKEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(C(C)(C)C)cc3)n2)cc1 1872762462 NHUQAYUDBKXCCB-JYFCICGUSA-N 442.628 7.340 30 10 IKEE Cc1cc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Br)cc3)cs2)ccc1F 1872765857 YFWALBDCHBBFQK-MRXNPFEDSA-N 429.314 5.439 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(Cl)cc3)n2)cc1 1872770343 QJAWSMKOHICQIL-LJQANCHMSA-N 426.925 5.508 30 10 IKEE COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(Cl)c(C)c3)n2)c(OC)c1 1872783650 FJRSFEGARFIFDM-KRWDZBQOSA-N 442.924 5.044 30 10 IKEE CCCCCCCCCCN1C(=O)C(N[C@H]2CCCC[C@H]2C)=C(c2ccccc2C)C1=O 1873104870 MEJPEZAKEGYYRK-VWNXMTODSA-N 438.656 6.384 30 10 IKEE C=CCSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1ccccc1C 1874204168 MLRUCUUTSQHFBN-FSJBWODESA-N 433.364 5.633 30 10 IKEE Cc1ccccc1CSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccccc1 1874269045 SHZYVLPWKYRWRH-VUTHCHCSSA-N 448.595 6.505 30 10 IKEE CCCCC1CCC(c2nnc(SCC(=O)N(CC)CC)n2/N=C/c2ccco2)CC1 1874286098 PDPRNEINXBPBHS-LFVJCYFKSA-N 445.633 5.178 30 10 IKEE CCCCC1CCC(c2nnc(SCCC)n2/N=C/c2c(F)cccc2Cl)CC1 1874287842 ZWLUGJQIQBZJSP-MFKUBSTISA-N 437.028 6.919 30 10 IKEE CCOc1ccc(Cc2nnc(SCC)n2/N=C/c2ccc(Cl)cc2Cl)cc1 1874303466 AJNYOOMOXKDKNI-YDZHTSKRSA-N 435.380 5.569 30 10 IKEE CCSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874330124 KRNUQSKWEJJTFP-ZMOGYAJESA-N 433.408 5.981 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2/N=C/c2cccs2)cc1 1874348968 MVJLZMQXVRJFFU-ZVHZXABRSA-N 438.553 5.253 30 10 IKEE CCSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874388869 JOBRPEJKLHFXHI-OVVQPSECSA-N 442.588 5.751 30 10 IKEE C(=N/n1c(CC2CCCCC2)nnc1SCc1cccc2ccccc12)\c1ccncc1 1874409403 VYTOSQHDAZUPGN-MTDXEUNCSA-N 441.604 6.124 30 10 IKEE Clc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCCc2ccccc2)cc1 1874416643 AHWVIGAHPHSENE-NLRVBDNBSA-N 432.980 5.739 30 10 IKEE CC(C)c1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccccc2Cl)cc1 1874439741 PVSTWWDBJQLWJV-CVKSISIWSA-N 441.044 6.818 30 10 IKEE CCOc1ccc(/C=N/n2c(SCc3ccccc3)nnc2C(C)(C)C)cc1OCC 1874481937 QHPYAZCEKVXMCD-PCLIKHOPSA-N 438.597 5.548 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(Cl)cc1Cl 1874482369 BQFWYZKMOJNXDK-BHGWPJFGSA-N 437.371 6.196 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2ccc(Cl)cc2)cc1 1874511538 CYONDBGZFBRFGT-ZMOGYAJESA-N 441.988 5.230 30 10 IKEE CC(C)c1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2C2CC2)cc1 1874521071 ZUJLFFFVDSJLDB-JVWAILMASA-N 426.589 6.607 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(S)nnc2CCc2ccccc2C)cc1OC 1874562453 XMXPLZAQJMBPBC-KOEQRZSOSA-N 438.597 5.120 30 10 IKEE COc1ccc(C(=O)/C=C/c2c(OCc3cccc(F)c3)ccc3ccccc23)c(OC)c1 1874587836 HMAXDHPDBLBQKU-BUHFOSPRSA-N 442.486 6.471 30 10 IKEE CCCOC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1cc(Cl)ccc1OC 1874592375 WABPNTSJUSSTAQ-ZHACJKMWSA-N 438.907 5.730 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3ccc(F)cc3)c2)cc1C 1874593522 NJUOWHIMRXBHFQ-NYYWCZLTSA-N 449.478 5.065 30 10 IKEE Cc1ccccc1NC(=O)COc1cccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c1 1874593791 BXHNJGFWVDOYAM-DTQAZKPQSA-N 425.528 5.787 30 10 IKEE O=C(COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1)NC1CCCCC1 1874606145 YMPSVHUGCPOUMF-MDWZMJQESA-N 432.347 5.717 30 10 IKEE COc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OCc1c(F)cccc1Cl 1874614052 AWMBWTFQIGDTKN-VAWYXSNFSA-N 426.871 5.971 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OCc1cccc(Cl)c1 1874625466 GUUJRASLEVFNND-MDWZMJQESA-N 436.910 6.691 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(C)c1C 1874627940 DOZZCFBMEKHHRB-WUXMJOGZSA-N 441.354 7.094 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2cccc(Br)c2)c1)c1ccc(Cl)cc1 1874700944 UINYZMFPIYRUOB-KPKJPENVSA-N 441.708 6.218 30 10 IKEE CCCCCCC(=O)Oc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OC 1874718970 UGPYBXOYEOCESV-XYOKQWHBSA-N 435.347 6.774 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(OC)c1OC(=O)c1ccncc1 1875101131 LABBUBZTKAJKGT-FMIVXFBMSA-N 427.500 5.496 30 10 IKEE COc1ccccc1C(=O)/C=C/c1cc(Br)c(OC(=O)C(C)(C)C)c(OC)c1 1875119346 PMTRCEQCFINMPL-ZHACJKMWSA-N 447.325 5.314 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC(=O)c1ccc(F)cc1F 1875124230 VMRHTYWVSZHJHR-KRXBUXKQSA-N 430.353 5.367 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 1875128597 LBWUCZUCLAHCAJ-CSKARUKUSA-N 430.544 6.103 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)[C@@H](C)c1ccccc1 1875136132 YWFXZDSPFZSPKA-QZEGLACASA-N 448.946 6.652 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccccc1-c1ccccc1 1875136401 MZYVGOIECAZHCW-NBVRZTHBSA-N 448.518 6.786 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H](C)c3ccccc3)c(Cl)c2)cc1 1875137376 JGBQAHNMBUFFNW-POUQMFDLSA-N 448.946 6.734 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)Cc1ccccc1 1875140558 MMBPYQVRHNVGRI-OUKQBFOZSA-N 448.946 6.400 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 1875144146 HGMYKOYTOZEPHH-VZUCSPMQSA-N 447.443 5.036 30 10 IKEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1Br 1875148749 UIDKYPWEFDXSJX-RIYZIHGNSA-N 443.381 6.738 30 10 IKEE CCCc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2)cc1 1875150617 WOAIBYNFDBMDEW-RIYZIHGNSA-N 444.483 5.248 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1OC(=O)c1ccccn1 1875166058 NWMRNRSKQIFKEP-MDZDMXLPSA-N 449.934 6.093 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc4c(c3)OCO4)c([N+](=O)[O-])c2)cc1C 1875175067 XFVHURDRKNRFFI-XBXARRHUSA-N 445.427 5.056 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3)cc2)c(OCC)c1 1875177805 LGMNIHXOGLZYJU-FRKPEAEDSA-N 434.463 5.738 30 10 IKEE COc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc(OC)c1OC(=O)C(C)C 1875182010 IDCLYGNPSSPYJV-BQYQJAHWSA-N 432.900 5.132 30 10 IKEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3F)c([N+](=O)[O-])c2)cc1C 1875188277 RPASKSNGVKCSQP-CSKARUKUSA-N 449.434 5.475 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc(Cl)c1OC(=O)C1CC1 1875190938 VGCMJXWYKLFOCX-YRNVUSSQSA-N 436.891 5.722 30 10 IKEE N#Cc1ccc(N2CCN(C(=O)c3[nH]c4ccc(Cl)cc4c3-c3ccccc3)CC2)cc1 1891163746 VTCNTWGGOOYBCR-UHFFFAOYSA-N 440.934 5.322 30 10 IKEE CC1(C)CC[C@@](C#N)(Nc2ccccc2Br)[C@H](CNC(=O)OC(C)(C)C)C1 1927167193 SBPDMWFOKMQMEF-BTYIYWSLSA-N 436.394 5.474 30 10 IKEE CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)c2c(Br)cccc2Br)C1 1937840439 BPQQZDBECBKKCU-NSHDSACASA-N 445.151 5.008 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)[C@@H]2CC[C@@H]21 2008459926 FXWHKWMVTRTBKW-YDIMBITNSA-N 433.593 5.238 30 10 IKEE CCCN[C@@H](CC#C[Si](C)(C)C)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2014157755 FBNGNMOIURCUNP-GOTSBHOMSA-N 446.708 5.126 30 10 IKEE C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 2020309040 OKOAKFUMUFNQKA-SBUREZEXSA-N 449.617 5.415 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)cc1 2022133052 FNIBKOBQVURJPO-CYFREDJKSA-N 429.561 5.276 30 10 IKEE C=CCCCCCC[C@H](O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2026023716 JDHHDSSGNKGRLR-OZXSUGGESA-N 431.617 5.718 30 10 IKEE C=CCC1([C@@H](N)c2c(Br)ccc(Cl)c2F)CN(C(=O)OC(C)(C)C)C1 2037647120 BYLFPDMRZWDMGO-HNNXBMFYSA-N 433.749 5.055 30 10 IKEE Fc1ccc(Cn2nc(C3CC3)c(Br)c2C(F)(F)F)c(C(F)(F)F)c1 2079024086 YIXHPMGUQVNEKB-UHFFFAOYSA-N 431.149 5.748 30 10 IKEE CC(C)(C)c1nn([C@@H](c2ccc(C3CCC3)cc2)C(C)(C)C)c(Br)c1C#N 2079987387 UAMXEAUILSUQQO-FQEVSTJZSA-N 428.418 6.718 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]([C@@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)C1 2082159363 AWXLDHMPKHKBMG-OBWXTZQISA-N 447.551 5.543 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@](C)(NC(=O)OC(C)(C)C)C1CCCCC1 2083688561 MIPJNAQKECYYEE-SQHAQQRYSA-N 444.660 5.991 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1nc(CCC)[nH]c1Br 2143951218 KPKUUIPDCPMUOZ-GOEBONIOSA-N 443.430 5.025 30 10 IKEE CC(C)(C)OC(=O)N(CCNc1cc(Br)ccc1C#N)C1CCCCCC1 2162419445 HABTWGRRQFWJON-UHFFFAOYSA-N 436.394 5.693 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CC[C@@H]2Nc2cc(Br)c(C#N)cc2F)CC1 2189324238 YIGGLQQUNHQRIZ-KRWDZBQOSA-N 438.341 5.051 30 10 IKEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Cl)c(Cl)cc1Cl 2201288677 LUVYVEOMAZTCKF-ROUUACIJSA-N 433.807 5.994 30 10 IKEE CC(C)(C)OC(=O)NCCCc1ccc(Nc2ccc(C#N)cc2Br)cc1 2203173730 WTJKGJGNDCLKSB-UHFFFAOYSA-N 430.346 5.522 30 10 IKEE C#CC[C@H](C[C@@H](NCC)c1ccc(Br)cc1I)C1CC1 2207273084 RLPMGIMEJCMDDF-CXAGYDPISA-N 446.170 5.144 30 10 IKEE C=CC[C@H](NCCC)c1sc(Br)c(Br)c1Br 2212201278 VLKJYVYZHGQLHY-ZETCQYMHSA-N 432.019 5.652 30 10 IKEE N[C@@H](C#Cc1ccccc1Br)c1cc(Br)c(Br)s1 2220279072 IAVUJRDAOHERCO-NSHDSACASA-N 449.993 5.087 30 10 IKEE Cc1sc([C@H](C#N)N(C[C@H]2CCCO2)C(=O)OC(C)(C)C)c(Br)c1C 2221773646 GXNVRMIFQIOFRN-KGLIPLIRSA-N 429.380 5.108 30 10 IKEE C[C@H](c1ccc(NC(=O)OC(C)(C)C)cc1)[C@@H](O)C#Cc1ccccc1Br 2235742410 XNGZGBUOZXWAED-QRWLVFNGSA-N 430.342 5.312 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@]2(CNc3c(Br)cccc3C#N)CCC[C@H]12 2285184493 NCOOLEFYMYJXSN-LAUBAEHRSA-N 434.378 5.302 30 10 IKEE C=CCCC[C@@](C)(OCCC(=O)O)c1cc(Br)c(Br)s1 2292049642 JXWAYMWXRDOXDJ-CQSZACIVSA-N 426.170 5.336 30 10 IKEE N#Cc1ccc(-c2ccc(C=C3SC(=O)N(Cc4c(F)cccc4Cl)C3=O)o2)cc1 2294013907 KSEKEIZJSKVVQT-UHFFFAOYSA-N 438.867 5.847 30 10 IKEE Cc1cccc(N2C(=O)C(=O)C(=C(O)c3ccccc3)[C@@H]2c2ccc(Br)cc2)c1 2296179665 PYMUSMSFXJNWAN-NRFANRHFSA-N 448.316 5.384 30 10 IKEE CCN[C@H](C#Cc1cccc(Br)c1)CC[C@H](C)CCNC(=O)OC(C)(C)C 2296277585 UMOUWKWGUQAUDU-PXNSSMCTSA-N 437.422 5.110 30 10 IKEE CC(C)(C)OC(=O)Nc1ccc(C=C[C@@H](O)C#Cc2ccc(Br)cc2)cc1 2296277760 WDFLABKGFAPMCI-FQEVSTJZSA-N 428.326 5.222 30 10 IKEE O=C(C=Cc1ccccc1Cl)Oc1ccc(C=Nc2cccc(C(F)(F)F)c2)cc1 2296699096 OKXYBIBYQZZFSH-UHFFFAOYSA-N 429.825 6.728 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 2297456725 PRLQUNVZZGGPIB-XMMPIXPASA-N 440.455 5.086 30 10 IKEE CCCN[C@H](C#CC1(OC)CCC1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2300421847 PSMIZMKJULMCRI-QHCPKHFHSA-N 428.617 5.145 30 10 IKEE CCOc1ccccc1C=CC(=O)c1ccc(OC(=O)c2ccc(OC)c(OC)c2)cc1 2314429210 AYPRKUWWPOLMEA-UHFFFAOYSA-N 432.472 5.218 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2Cl)Oc2cc(OCc3c(F)cccc3Cl)ccc21 2314437934 BDRWBPGKLYNOJE-UHFFFAOYSA-N 449.692 6.981 30 10 IKEE O=C1C(=Cc2ccccc2OC(F)F)Oc2cc(OCc3c(F)cccc3Cl)ccc21 2321802331 IQWOEPJFGOQIQY-UHFFFAOYSA-N 446.808 6.276 30 10 IKEE Cc1ccc(CCc2nnc(S)n2N=Cc2cccc(OCc3ccccc3)c2)cc1C 2322044700 CNGSNQITQWSRRP-UHFFFAOYSA-N 442.588 5.430 30 10 IKEE COc1cccc(C=C2Oc3c(ccc4c3CN([C@H](C)c3ccccc3)CO4)C2=O)c1OC 2322092450 NGEWUWSFSNPXMS-QGZVFWFLSA-N 443.499 5.233 30 10 IKEE CCOc1c(C=CC(=O)c2ccc(Cl)cc2Cl)cc(Br)cc1OC 2322391111 GPMRBUJTXMUYOU-UHFFFAOYSA-N 430.125 6.059 30 10 IKEE CC(C)(C)n1ncc(NN=Cc2cccc(OCc3ccccc3Cl)c2)c(Cl)c1=O 2322601446 WGBLJMCLZFMOSV-UHFFFAOYSA-N 445.350 5.330 30 10 IKEE COc1ccc(C)cc1C(=O)C=Cc1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 2322646501 DDYOIPGXRNKVEA-UHFFFAOYSA-N 437.879 6.040 30 10 IKEE CCn1cc(C=C2Oc3cc(OC(=O)c4ccc(C)cc4)cc(C)c3C2=O)c2ccccc21 2322671409 CEKGHAUKIWZJNT-UHFFFAOYSA-N 437.495 6.113 30 10 IKEE Cc1cc(OC(=O)c2ccc3c(c2)OCO3)cc2c1C(=O)C(=Cc1ccccc1Cl)O2 2322775439 XSILRJCGIUEAQG-UHFFFAOYSA-N 434.831 5.213 30 10 IKEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1ccc(F)c(F)c1)Nc1ccccc1 2322781855 HIJPCWZBRQBYBF-UHFFFAOYSA-N 427.834 5.532 30 10 IKEE Cc1c(OC(=O)c2cccc(Cl)c2)ccc2c1OC(=Cc1ccccc1Cl)C2=O 2322914394 XWSCSOXHRUJKQI-UHFFFAOYSA-N 425.267 6.137 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cccc(OC)c1OCc1cccc(C)c1 2322926424 AOOSLKJDPABKQY-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE Cc1cc(C)c(C(=O)C=Cc2ccccc2OCc2ccc(Cl)c(Cl)c2)c(C)c1 2322942030 SLHDBPLDXLQAPF-UHFFFAOYSA-N 425.355 7.394 30 10 IKEE CCCOC(=O)COc1c(C=CC(=O)c2ccc(OC)c3ccccc23)cccc1OC 2323019170 UCZKCFVHZQCLKG-UHFFFAOYSA-N 434.488 5.085 30 10 IKEE COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1OCc1ccc(F)cc1 2323327137 APDWHVKCRSTRHF-UHFFFAOYSA-N 431.290 6.616 30 10 IKEE CCCCC1CCC(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(OC)c2)C3=O)CC1 2323652058 JBKLHSCWOFILNO-UHFFFAOYSA-N 448.559 6.522 30 10 IKEE CCCCCCOc1ccc(C=NNc2nc(-c3ccc(OC)cc3)cs2)cc1OC 2323854448 CDGQJNGCTDDZOH-UHFFFAOYSA-N 439.581 6.232 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1cc(C)ccc1C 2323921265 PYTBVDWDFXWHOB-UHFFFAOYSA-N 429.516 5.534 30 10 IKEE CCN(CC)c1ccc(C=C2Oc3c(CN4C[C@@H](C)C[C@H](C)C4)c(O)cc(C)c3C2=O)cc1 2324055055 OOPRDDMVEAWXSX-OALUTQOASA-N 448.607 5.641 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OCc1cc(C)ccc1C 2324169870 HUCCAHGKIVPRMA-UHFFFAOYSA-N 428.572 7.301 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)cc(Cl)c1OCCO 2324331208 HYKRSXPLZLZIDM-UHFFFAOYSA-N 445.726 5.321 30 10 IKEE COc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)c(OC)c1 2324406269 AKKPYOWVIRLBPK-LJQANCHMSA-N 434.517 5.034 30 10 IKEE Cc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1cccc(F)c1)C2=O 2324412651 INTLFWNWIDHADW-QGZVFWFLSA-N 431.463 5.465 30 10 IKEE COc1cc(OC)c(C(=O)C=Cc2ccc(OCc3cc(C)ccc3C)cc2)cc1Cl 2324422518 NQHQZCCNLQMGCB-UHFFFAOYSA-N 436.935 6.449 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3cc(C)ccc3C)c([N+](=O)[O-])c2)c(OC)c1 2324473953 LTWQFCQYPSLOHV-UHFFFAOYSA-N 447.487 5.704 30 10 IKEE Cc1cccc(C(C)C)c1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccco1)C2=O 2324990008 RQVRTGZFRXPXOE-UHFFFAOYSA-N 431.488 5.654 30 10 IKEE CCCCCOC(=O)COc1cc(C)c2c(c1)OC(=Cc1cn(CC)c3ccccc13)C2=O 2325044810 QNSKIMMCALOMAD-UHFFFAOYSA-N 447.531 5.698 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCc4c(Cl)ccc(Cl)c4Cl)ccc3C2=O)o1 2325168565 DXEADDXHTIFIIY-UHFFFAOYSA-N 435.690 6.743 30 10 IKEE O=C(COc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O)Nc1ccc(Cl)cc1F 2325490020 RCKRPPTYOAZKFF-UHFFFAOYSA-N 441.817 5.252 30 10 IKEE CCCCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccccc1C(=O)O 2325525889 KSBMEAWSWZMVJO-UHFFFAOYSA-N 428.945 5.147 30 10 IKEE CCCOc1ccc(C=Nn2c(C)nnc2SCc2ccc(Cl)c(Cl)c2)cc1 2325642567 LKNFKRVIPCSGIL-UHFFFAOYSA-N 435.380 5.857 30 10 IKEE CCOc1cccc(C=CC(=O)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)c1 2325655535 VEYOOYGSFVZORG-UHFFFAOYSA-N 435.907 5.539 30 10 IKEE CCCOc1c(C=Nn2cnnc2SCc2c(F)cccc2Cl)cccc1OC 2325669349 XQCNPCWVRGKEKE-UHFFFAOYSA-N 434.924 5.043 30 10 IKEE COc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1OC(=O)c1ccccc1F 2325690936 VKHZECMYJYVEAZ-UHFFFAOYSA-N 426.443 6.103 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(Cl)cc3)c2)c1 2325744262 WFKQTISOWSEVRK-UHFFFAOYSA-N 436.891 5.401 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)CCCSC)c2)c(OCC)c1 2325762937 FFSKFEWZBHVZGX-UHFFFAOYSA-N 428.550 5.429 30 10 IKEE CCOc1cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)ccc1OC(C)C 2326342549 QPPSHHBMIIGSFK-UHFFFAOYSA-N 430.961 5.292 30 10 IKEE C=C(C)CSc1nnc(CCCOc2ccccc2C)n1N=Cc1ccc(F)cc1F 2327089795 VBVQQVWVDRRVFX-UHFFFAOYSA-N 442.535 5.427 30 10 IKEE C=CCSc1nnc(CCCOc2ccccc2C)n1N=Cc1ccc(F)cc1F 2327111308 MFMBFPWBQQRPJV-UHFFFAOYSA-N 428.508 5.037 30 10 IKEE CCCOc1ccc(C=Nn2c(COc3ccc(Cl)cc3)nnc2SCC)cc1 2327542322 FJLULCFGCFPMDZ-UHFFFAOYSA-N 430.961 5.294 30 10 IKEE Oc1cccc(C=Nn2c(CCCOc3ccccc3)nnc2SCc2ccccc2)c1 2328746283 VDWAQWYADZYTNR-UHFFFAOYSA-N 444.560 5.170 30 10 IKEE CCCOc1cccc(C=Nn2c(CCCOc3ccccc3)nnc2SCCC)c1 2328754354 IUOZNNLEDPVROC-UHFFFAOYSA-N 438.597 5.463 30 10 IKEE Cc1ccc(C)c(CSc2nnc(COc3ccccc3)n2N=Cc2ccc(F)cc2)c1 2329919036 MZRDEPALNUFHAO-UHFFFAOYSA-N 446.551 5.788 30 10 IKEE C[C@H](c1ccccc1)c1nnc(SCc2cccc(Cl)c2)n1N=Cc1cccnc1 2330135501 BCPTZGMPBXBJJC-QGZVFWFLSA-N 433.968 5.653 30 10 IKEE Clc1ccccc1CSc1nnc(CCc2ccccc2)n1N=Cc1ccccc1 2330197129 YEOYUGMAPVNQNG-UHFFFAOYSA-N 432.980 5.891 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3F)c([N+](=O)[O-])c2)cc1 2330749890 ZHLFSYDLPYDNFD-UHFFFAOYSA-N 433.435 5.341 30 10 IKEE COc1ccc(C=Nn2c(SCc3ccccc3C)nnc2C2CCCC2)c(OC)c1 2331030795 VTMPBFPOXSZAPU-UHFFFAOYSA-N 436.581 5.436 30 10 IKEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)c1cccs1 2331122045 AFEJULHZBMLMFK-UHFFFAOYSA-N 428.893 5.534 30 10 IKEE COc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 2331146896 QCPCBOTUMZAITH-UHFFFAOYSA-N 437.835 5.372 30 10 IKEE COCCc1nnc(SCc2cccc(C)c2)n1N=Cc1c(Cl)cccc1Cl 2331256697 QSLZSKIHXGTAHB-UHFFFAOYSA-N 435.380 5.257 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)Cc1ccc(F)c(C)c1 2331281705 HUCOHAVTQINVEJ-UHFFFAOYSA-N 432.491 5.885 30 10 IKEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(OC)c3)c(OC)c2)cc1 2331311654 JRGSMFYJEDAVCE-UHFFFAOYSA-N 446.499 5.608 30 10 IKEE CCCCc1nnc(SCC)n1N=Cc1ccc(OCCc2ccccc2)c(OC)c1 2331331613 VVMDZQAZMIPRIU-UHFFFAOYSA-N 438.597 5.245 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)cc2)cc1 2331491482 KECAWSIHEJTKHR-JWQCQUIFSA-N 444.958 7.069 30 10 IKEE COCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1cccc(F)c1 2331611910 ZHFSCOMZGYXFJB-UHFFFAOYSA-N 425.316 5.045 30 10 IKEE CCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3cc(C)cc(C)c3OC)cc2)cc1 2331659248 VOYKOTRFUIUTCJ-UHFFFAOYSA-N 444.527 5.755 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2sccc2C)c(Cl)c1 2331661866 CYZLAHGOGKQKOH-UHFFFAOYSA-N 440.948 6.451 30 10 IKEE CC(C)c1nnc(SCc2cccc3ccccc23)n1N=Cc1c[nH]c2ccccc12 2331705869 WNTRTTYMDJDHKU-UHFFFAOYSA-N 425.561 6.211 30 10 IKEE C=C(Br)CCN1CCC(CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 2335932060 GENBKTFBLXPFDR-UHFFFAOYSA-N 429.443 5.424 30 10 IKEE CCCCCCCCCC[C@@H](N)c1ccc(OCc2ccccc2)cc1Br 2361169744 YDURJXFFOJWEDH-XMMPIXPASA-N 432.446 7.559 30 10 IKEE C=CCC(CC=C)[C@@H](NCCC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2364000196 YEDUELZLJIXNLA-HXUWFJFHSA-N 437.422 6.605 30 10 IKEE CC1(C)OB(C=Cc2ccc(N[C@H]3C[C@@H]4CC[C@H](C3)N4Cc3ccccc3)nc2)OC1(C)C 2365103927 DNVUSUWNBHHABK-JOZNFPNDSA-N 445.416 5.334 30 10 IKEE C=C[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(C)c(C)c(Br)c(C)c1C 2372277907 HNFYWSKCCIHLLD-FXAWDEMLSA-N 439.438 5.803 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1snnc1C1CCC1 2377295814 LPOJQLPLOQUOLW-HNNXBMFYSA-N 449.374 5.574 30 10 IKEE CC1CCC(CSCc2ccc(B3OC(C)(C)C(C)(C)O3)c(Br)c2)CC1 2377295951 MSCFENJNOPKZFS-UHFFFAOYSA-N 439.268 5.808 30 10 IKEE Fc1ccc(/C=N/c2cccc(C3=NN(c4ccccc4)[C@H](c4ccc(F)cc4)C3)c2)cc1 15773313 HISFAHOUMMJLJL-NGUGDGFLSA-N 437.493 7.071 30 10 IKEE CCc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OC(C)C)c(OC)c2)C3)cc1 20881747 CKPJQPLAVSDZTM-NHCUHLMSSA-N 433.548 5.049 30 10 IKEE CCc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(OC)c2O)cc1 21247209 JTYOALNOSIFUCN-PPHZAIPVSA-N 440.543 5.943 30 10 IKEE Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C\c3ccccc3OC(F)F)cc2)cc1 33498947 BASBCDVYIVEQBY-GDNBJRDFSA-N 443.471 5.293 30 10 IKEE C/C(=N/OCc1ccc(C)cc1)c1cc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)c1C 35843427 REUBHAULPPQTJO-FSGOGVSDSA-N 430.498 6.980 30 10 IKEE C=CCOC(=O)C1=C(C)N(Cc2cccc(Cl)c2)C(=O)C[C@@H]1c1ccc(F)cc1F 37577376 BVZHUFBFXXQNAO-LJQANCHMSA-N 431.866 5.138 30 10 IKEE COc1ccc(/C=C2/Oc3c(ccc(O)c3CN(CC(C)C)CC(C)C)C2=O)c(OC)c1 37857634 YNBICIBDNNADEA-BHGWPJFGSA-N 439.552 5.140 30 10 IKEE CC(C)c1ccc(/N=C2/NC(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)S2)cc1 39847350 WAUXBAMKTIYJMQ-QGZVFWFLSA-N 426.891 5.944 30 10 IKEE C=CCc1ccccc1OCc1nc2ccccc2n1CCCCOc1ccc(Cl)cc1 39907177 MAQMRDKKFZGUJW-UHFFFAOYSA-N 446.978 6.856 30 10 IKEE C=CCc1ccc(OCCn2c(CNC(=O)C3CCCCC3)nc3ccccc32)c(OC)c1 40188458 DUOBTLDCBLSHKP-UHFFFAOYSA-N 447.579 5.049 30 10 IKEE C=CCc1ccccc1OCCCn1c(CNC(=O)c2ccc(C)cc2)nc2ccccc21 40276689 VFPAZSFHMNKXDF-UHFFFAOYSA-N 439.559 5.472 30 10 IKEE CC[C@@H](C)c1ccc(N/C(=N/C(=O)c2ccc(C(C)(C)C)cc2)NCc2ccncc2)cc1 45940371 ZWKLITMFTURPIY-HXUWFJFHSA-N 442.607 6.291 30 10 IKEE CCCCSc1ccccc1NC(=O)CSc1n[nH]c(NN=C2CCCCCC2)n1 59311276 IKSSFHFTSOXFMJ-UHFFFAOYSA-N 446.646 5.550 30 10 IKEE C=C(C)COc1ccccc1NCC(=O)Nc1ccccc1OCCOc1ccccc1 66062839 CVMHKZVVQFJHIC-UHFFFAOYSA-N 432.520 5.150 30 10 IKEE Cc1ccccc1/N=C1/SCC(C)(C)N1C(=O)c1ccccc1OCc1ccccc1 96576454 DQZLRGAVJKENHY-IMVLJIQESA-N 430.573 6.229 30 10 IKEE CCCCCCCCCCn1c([C@H](C)NC(=O)c2ccc(OC)cc2)nc2ccccc21 102222176 KXNLUNGCWMYSAZ-NRFANRHFSA-N 435.612 6.677 30 10 IKEE CCc1ccc2nc(N3C(=O)C(=O)/C(=C(\O)c4cccs4)[C@@H]3c3ccccc3)sc2c1 102737957 GRWWAAGOCUTIDK-LCPUNJGISA-N 446.553 5.547 30 10 IKEE CCn1cc(/C=C2\Oc3c(ccc(OC(=O)c4ccccc4F)c3C)C2=O)c2ccccc21 103025006 WKKKPHVCKBADSO-OYKKKHCWSA-N 441.458 5.944 30 10 IKEE Cc1ccc(/C=C2/Oc3cc(OCc4c(F)c(F)c(F)c(F)c4F)ccc3C2=O)cc1 110527021 SVUYTFLVEXQSMQ-CAOOACKPSA-N 432.344 5.886 30 10 IKEE CCCCCCCCCCCCCCCCCCN(C(=O)C(N)=O)c1ccc(O)cc1 143172740 XLWXSHZWNPVACB-UHFFFAOYSA-N 432.649 6.472 30 10 IKEE CCOc1cc(/C=N\Nc2nc(-c3ccccc3)c(C(=O)OC)s2)cc(Cl)c1OC 169940479 RRBKVGMXRLMBSD-FMCGGJTJSA-N 445.928 5.103 30 10 IKEE COc1cc(/C=N\Nc2nc(-c3ccc(F)cc3)cs2)cc([N+](=O)[O-])c1OC(C)C 169942574 NDQCASVEDAQLTN-YVNNLAQVSA-N 430.461 5.099 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@H]1c1cccnc1 170006460 HZYLCUVWZSFYGN-HSZRJFAPSA-N 432.907 5.145 30 10 IKEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1cccc(O)c1 170081144 ZMTQWJLUEFCTSD-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1cccc(O)c1)c1ccc(Cl)cc1 170081508 ZECPMJBKEMCXBO-FQEVSTJZSA-N 440.282 5.482 30 10 IKEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1ccc(O)cc1 170131864 CXEQHSSLFIMWOK-JOCHJYFZSA-N 449.890 5.146 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCOC(C)C)c1 170139922 WOQJVDNMYGINEU-DEOSSOPVSA-N 429.516 5.152 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccc(C)c2)cc1 170140970 HCPHKOCOGUVMLX-DEOSSOPVSA-N 427.500 5.485 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2c2ccccc2O)c1 170141213 QTVDXCIUOMAJQM-DEOSSOPVSA-N 443.499 5.271 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@@H]1c1ccc(OC(C)C)cc1 170152130 ZVGYITJARGKYKF-DEOSSOPVSA-N 449.547 5.177 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@@H]2c2cccs2)c1 170156842 BKEGLKAIPXQYAO-JOCHJYFZSA-N 433.529 5.492 30 10 IKEE NC1=C(c2nc(-c3cccs3)cs2)C(=O)CN1c1ccc(Nc2ccccc2)cc1 170181059 MTTXOVHWLQMHFX-UHFFFAOYSA-N 430.558 5.332 30 10 IKEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@@H]1c1ccc(Cl)cc1 170236289 SHWVPORTIHQXBW-NRFANRHFSA-N 441.955 5.634 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccc2F)c(C)c1 170248402 QBQSOHZRWMANDB-QHCPKHFHSA-N 431.463 5.234 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccccc2C)cc1 170272597 VIUMOAHFISMJCP-IQGLISFBSA-N 439.511 5.410 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1c1ccc(C#N)cc1 170272882 WLEFGFSPKIDQDV-AREMUKBSSA-N 444.490 5.803 30 10 IKEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(Cl)c3)[C@H]2c2ccco2)cc1 170283343 VLIROICNOWXHLY-HXUWFJFHSA-N 442.298 5.932 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2ccc(Cl)cc2)o1 170303143 NTUDIRVYCZPJSF-QHCPKHFHSA-N 443.886 6.178 30 10 IKEE Cc1cccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(C(=O)OCC(C)C)cc2)c1 170460883 GPKFOCNIQGCCFA-DEOSSOPVSA-N 449.547 5.323 30 10 IKEE Cc1cc(C)cc(NC(=S)NN=C2C(=O)N(Cc3cc(C)ccc3C)c3ccccc32)c1 254507696 FQNXLYQSQAUYDJ-UHFFFAOYSA-N 442.588 5.158 30 10 IKEE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(Cl)cc2)c1 526490310 LQMYLNZOHOASJR-QHCPKHFHSA-N 446.890 5.286 30 10 IKEE N#Cc1ccccc1N1C(=O)C(O)=C(c2cccs2)[C@H]1c1ccc(Cl)c(Cl)c1 526607525 XHCVJAZWGQPFJY-LJQANCHMSA-N 427.312 5.984 30 10 IKEE CCOc1cc([C@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccccc2C#N)ccc1O 526609876 YFFLVIVSMVWZHH-DEOSSOPVSA-N 426.472 5.028 30 10 IKEE CCCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1ccccc1OC 526815480 YKBOJFQKLGSAQO-CFRMEGHHSA-N 449.407 6.111 30 10 IKEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(NC(=O)Nc3ccccc3C)CC2)c1 586090801 IIBYIGPZBGEZAO-UHFFFAOYSA-N 434.584 5.259 30 10 IKEE CCCCCCC[C@@H](N)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 686824796 JZKNWPINOAGRRO-HSZRJFAPSA-N 431.665 5.624 30 10 IKEE COc1cc(F)cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)c1 698390050 IDSXTSUKCWLVKQ-GOSISDBHSA-N 435.293 5.603 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1cccc(C2CC2)c1 698456870 JMFCJJLYQLKTKU-HXUWFJFHSA-N 427.342 6.333 30 10 IKEE CC(C)N1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)CC1 698483442 WIUJDMYORHQQCF-OAQYLSRUSA-N 436.394 5.347 30 10 IKEE CC(C)C1CCC([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)CC1 698498215 QYTABWSXGSWNAU-UHYCVJNDSA-N 435.406 6.545 30 10 IKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@]1(C#N)CCc2ccc(Br)cc21 698829549 FNUDIHSQTIAVNT-NRFANRHFSA-N 447.760 6.209 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@@H](C#N)c1cc(F)ccc1Br 698854665 YGUFFYSCJAMEBQ-KRWDZBQOSA-N 439.712 6.248 30 10 IKEE COc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)cc1Br 698890951 JVEJKKNZKGGDJH-KRWDZBQOSA-N 435.293 5.603 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H]([C@@](C)(C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)C1 698911470 QOJPIEQHMFSHJG-KSFYIVLOSA-N 435.590 5.024 30 10 IKEE Cc1sc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)cc1Br 698918505 DHQZCFPWDDLIJQ-HNNXBMFYSA-N 441.778 6.479 30 10 IKEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 724093899 VKOWRXHXZHKQNX-KBMIEXCESA-N 449.636 5.924 30 10 IKEE C=CCn1c(S)nc2cc(C(=O)Nc3cc(-c4ccc(C)o4)ccc3C)ccc2c1=O 795717694 LJLODCNPRNTUNV-UHFFFAOYSA-N 431.517 5.000 30 10 IKEE C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccccc1SCc1ccc(C#N)cc1 826779499 UTHMSKRVPKACDX-KRWDZBQOSA-N 443.597 6.293 30 10 IKEE CCCCCCCCCC(=O)O[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@H]4[C@@H]3CC[C@@]12C 1073363992 JKWKMORAXJQQSR-IHTKVSFKSA-N 428.657 7.181 30 10 IKEE C[C@@H]1C/C(=N/c2ccc(F)cc2)c2cc(F)ccc2N1C(=O)c1ccc(Cl)cc1Cl 1615951228 ZOSOLHXHWHGAON-AODVPYLJSA-N 445.296 6.831 30 10 IKEE C/C(=C1/SC(=Nc2cccc(C(=O)O)c2)N(C2CCCCC2)C1=O)c1ccc(O)cc1 1772736443 MHXQOJBMWCAAIF-AQAUNXFGSA-N 436.533 5.417 30 10 IKEE C=CCN1C(=O)/C(=C(\C)c2ccc(F)cc2)SC1=Nc1nc(-c2ccccc2)cs1 1772739930 WLUJZDPZCUKQLA-OIYMOPNQSA-N 435.549 6.129 30 10 IKEE C=CCN1C(=O)/C(=C/c2ccc(OCCCC)c(OC)c2)SC1=Nc1cccc(O)c1 1772762595 FWYYQEXNLZYQAS-IBORXNHRSA-N 438.549 5.370 30 10 IKEE CC(C)(C)c1ccc(Cn2nc(C(=O)Nc3ccc(C#N)cc3)cc2-c2cccs2)cc1 1859410430 IPUBBFZIDPUGBP-UHFFFAOYSA-N 440.572 6.081 30 10 IKEE N#Cc1ccc(COc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)cc1 1860144788 VLNRPFYNCNGEHH-UHFFFAOYSA-N 427.287 5.462 30 10 IKEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)c1ccc(OC)cc1OC)[C@H](C)CC 1861063005 GAUDKPJBCJZISW-XXBNENTESA-N 434.621 5.105 30 10 IKEE CCCCCCCCNC(=O)C(C)(C)NC(=O)CCCOc1cc(C)c(Cl)c(C)c1 1861701112 VQGDZKGQHHPZSD-UHFFFAOYSA-N 439.040 5.487 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2cccc(C)c2)cc1C 1862400679 KBSQQDGRXDVOGP-NYQDVAGCSA-N 433.548 5.469 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)c(OCCC)c2)[C@H]1c1ccc(C)cc1 1862426489 VYJFQKHQSGEODS-XMMPIXPASA-N 449.547 5.337 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccccc2C)c1 1862441572 ADRRJWFABVAFOD-HSZRJFAPSA-N 431.919 5.735 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1cccc2ccccc12 1862471709 SFXCKLCLZKGHAU-HXUWFJFHSA-N 436.305 5.201 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2ccccc2C)c1 1862489999 LPGRUTUOPGHWKC-SANMLTNESA-N 439.555 5.823 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccccc2C)cc1 1862490595 ZERQAZUERJIFGR-VWLOTQADSA-N 441.527 5.399 30 10 IKEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccccc2F)ccc1F 1862508023 XKUFUZNKSLTNMH-QHCPKHFHSA-N 433.454 5.094 30 10 IKEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(Br)c2)=C(O)C(=O)N1CCC(C)C 1862524127 XPQVLYKSFWCAFM-HXUWFJFHSA-N 442.353 5.382 30 10 IKEE CCc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCCc2ccccc2)cc1 1862556037 NTBLBNNWUUWRTL-VWLOTQADSA-N 440.543 5.042 30 10 IKEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(Cl)c(Cl)c2)c1 1862562426 FTXXVSUHWLUUQJ-FQEVSTJZSA-N 445.346 5.487 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCCc2ccccc2)[C@@H]1c1ccc(F)cc1)c1cccc(O)c1 1862591455 ZLYIDKKRKYMGBA-XMMPIXPASA-N 445.490 5.133 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862597094 LSPWNVPOPBOZRA-OSPHWJPCSA-N 443.499 5.130 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(Cl)c(Cl)c1 1862599003 ZQPIEBITZUWAMI-LJQANCHMSA-N 434.319 5.323 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccccc2)cc1F 1862637259 WBDONZSPJVZRFS-WAIKUNEKSA-N 431.463 5.174 30 10 IKEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 1862683575 QPJYQMBRBFBUBG-LJQANCHMSA-N 436.310 5.757 30 10 IKEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2cccc(C)c2)c1 1862713016 FVAOMFQOIUSVKC-HHHXNRCGSA-N 447.534 6.235 30 10 IKEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(-c3ccccc3)cc2)=C(O)C(=O)N1C1CCCC1 1862721719 JEQNNWWAPVRDMY-SANMLTNESA-N 437.539 6.183 30 10 IKEE N#Cc1ccc(N2C(=O)C(Nc3ccc(Cl)cc3)=C(c3ccc(Cl)cc3)C2=O)cc1 1862797539 MUEYZTTWLSDFSN-UHFFFAOYSA-N 434.282 5.262 30 10 IKEE Cc1c(Cl)cccc1NC1=C(c2ccc(F)cc2F)C(=O)N(c2cccc(C#N)c2)C1=O 1862946215 CACYWGAMBNDGSQ-UHFFFAOYSA-N 449.844 5.195 30 10 IKEE CCc1ccc([C@H](C)N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(C)cc3)C2=O)cc1 1863277205 VBSJXPVUYDLTJI-IBGZPJMESA-N 435.527 5.382 30 10 IKEE CCCCCCCCN1C(=O)C(NCc2ccc(F)cc2)=C(c2cc(C)ccc2C)C1=O 1863741083 IKJUDSOXGWSUHL-UHFFFAOYSA-N 436.571 5.673 30 10 IKEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)c2c(Cl)ccc(Cl)c2Cl)c1 1866010415 BUANBQBTZFPWEV-UHFFFAOYSA-N 443.717 6.310 30 10 IKEE N#Cc1c(NC(=O)c2cc(=O)c3cc(Oc4ccccc4)ccc3[nH]2)sc2c1CCCC2 1866536688 KENDFQROFALQLP-UHFFFAOYSA-N 441.512 5.385 30 10 IKEE C[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C#N)cc1)c1cccc(Cl)c1 1867170271 UZWTYUUZTPYLAZ-KOSHJBKYSA-N 445.950 5.071 30 10 IKEE Cc1nc(Nc2ccc(C#N)cc2)cc(N2CCc3ccccc3[C@@H]2CCc2ccccc2)n1 1868496523 AWKGYEJWYDGPKV-MHZLTWQESA-N 445.570 6.137 30 10 IKEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)C[C@H](CC(C)C)c1ccc(F)cc1)c1ccccc1 1868945563 DLVAKUMFXAMSRT-OZXSUGGESA-N 436.571 5.404 30 10 IKEE CCCCCCCOc1cn(Cc2ccc(F)cc2)c(CSc2ccccc2)cc1=O 1870251712 RONAVAODTVTHGU-UHFFFAOYSA-N 439.596 6.677 30 10 IKEE CCCCCCCOc1cn(Cc2ccccc2Cl)c(CN2CCC(C)CC2)cc1=O 1870409487 VBZXFBSHKSRUEI-UHFFFAOYSA-N 445.047 6.131 30 10 IKEE N#Cc1ccc(COc2cn(CCC3=CCCCC3)c(CNc3ccccc3)cc2=O)cc1 1871252720 PDRPAEJDKAWANR-UHFFFAOYSA-N 439.559 5.802 30 10 IKEE COc1ccc(/C=C2\Oc3c(ccc4c3CN([C@H]3CCCC[C@@H]3C)CO4)C2=O)cc1OC 1871350832 WSRZWJAWDVQEQN-PNPSGGTASA-N 435.520 5.051 30 10 IKEE Cc1c2c(cc3c1O/C(=C\c1c(F)cccc1Cl)C3=O)CN(CCCOC(C)C)CO2 1871351608 IMANAWLDYHAPTD-NHDPSOOVSA-N 445.918 5.371 30 10 IKEE COC(=O)c1ccc(/C=C2\Oc3c(cc4c(c3C)OCN([C@H]3CCCC[C@H]3C)C4)C2=O)cc1 1871356129 WOXGDILIJKVGJU-WZSYJRMUSA-N 447.531 5.128 30 10 IKEE Cc1cc(OC(=O)c2cccc(OCC(C)C)c2)cc2c1C(=O)/C(=C/c1ccccn1)O2 1871381013 IWWMQWXSRANWPF-QRVIBDJDSA-N 429.472 5.260 30 10 IKEE CCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)c(OCC)c1 1871386623 FBVUAXISDYYXFD-CFRMEGHHSA-N 448.446 5.459 30 10 IKEE Cc1ccccc1/C=C1\Oc2c(ccc(OCC(=O)Nc3c(F)cccc3F)c2C)C1=O 1871440800 IOBGSBXWSJDRCT-MTJSOVHGSA-N 435.426 5.215 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3cc(Cl)ccc3Cl)n2)cc1C 1872765272 LHXPFVQFIGLWHH-MRXNPFEDSA-N 431.344 5.853 30 10 IKEE CCCc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 1872772451 DJLSICPVGGMVIG-JOCHJYFZSA-N 432.589 6.315 30 10 IKEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(Cl)ccc3Cl)n2)c(C)c1C 1872778290 IFBHCYYLLWHYJC-MRXNPFEDSA-N 431.344 6.232 30 10 IKEE CCCCCCOc1ccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1 1872847243 BEKYWDXLEWIAGV-UHFFFAOYSA-N 428.532 6.349 30 10 IKEE CCCCCCCCNC1=C(c2cccc(Cl)c2Cl)C(=O)N(CCCOC)C1=O 1873129048 AUWZLWKJAHHEBE-UHFFFAOYSA-N 441.399 5.060 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)cc2c(N(CCCC)CCCC)ncnc21 1873662507 QJWQHESLGVWCCY-UHFFFAOYSA-N 433.600 5.893 30 10 IKEE CCOc1cccc(/C=N/n2c(COc3ccc(Cl)cc3Cl)nnc2SC)c1 1874203522 GCOAQCGJSRCMBW-SSDVNMTOSA-N 437.352 5.167 30 10 IKEE CCCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccc(C)cc1 1874217710 HYRAZMSDGXAGGV-ZMOGYAJESA-N 428.989 5.820 30 10 IKEE C=C(C)CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1cccs1 1874217711 SYYLKRQPKIXWFD-LSHDLFTRSA-N 433.002 5.739 30 10 IKEE CCSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1cc(Cl)ccc1O 1874223156 WKAIFGHCOGXRRL-BUVRLJJBSA-N 444.988 5.205 30 10 IKEE CCCSc1nnc(COc2cccc(C)c2C)n1/N=C/c1ccc(C(F)(F)F)cc1 1874324515 OZJPCBNKDZHCCD-LGJNPRDNSA-N 448.514 5.877 30 10 IKEE COc1ccc(Cc2nnc(SCc3cccc(C)c3)n2/N=C/c2cccc(F)c2)cc1 1874350269 DCQVNJBYMMTGKN-JVWAILMASA-N 446.551 5.500 30 10 IKEE Cc1ccccc1/C=N/n1c(CCc2ccccc2C)nnc1SCc1ccccc1F 1874362632 OJQFMCWUJYPCFR-OGLMXYFKSA-N 444.579 5.994 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2Cl)cc1 1874367130 MUXDTHYLIADOAN-WGOQTCKBSA-N 432.980 6.335 30 10 IKEE CCCSc1nnc(COc2ccccc2)n1/N=C/c1ccc(OCC)c(OCC)c1 1874385174 CCUUFBAMESYADQ-LFVJCYFKSA-N 440.569 5.039 30 10 IKEE CCOc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2cccc(C)c2)cc1 1874416062 WYQVYJYSWDFILW-OVVQPSECSA-N 442.588 5.751 30 10 IKEE CCc1ccc(NC(=O)CSc2nnc(CC(C)(C)C)n2/N=C/c2ccccc2)cc1 1874437887 YNGDKJFPCMURBD-PCLIKHOPSA-N 435.597 5.042 30 10 IKEE Cc1cccc(/C=N/n2c(SCc3c(Cl)cccc3Cl)nnc2[C@H]2CCCO2)c1 1874448408 AVAMLDSTOWYZGG-QVHMZZSFSA-N 447.391 5.919 30 10 IKEE CCCSc1nnc([C@H]2CCCO2)n1/N=C/c1ccc(N(CC)Cc2ccccc2)cc1 1874448672 JCCWFMFFXZBZQS-ZCBHOAFYSA-N 449.624 5.540 30 10 IKEE Brc1cccc(/C=N/n2c(SCc3ccccc3)nnc2C2CCCC2)c1 1874454515 HYPXYJYZCRTDMP-OEAKJJBVSA-N 441.398 5.873 30 10 IKEE Fc1ccccc1/C=N/n1c(SCc2c(Cl)cccc2Cl)nnc1C1CCC1 1874496424 LPOYSLGUDMNQBQ-BHGWPJFGSA-N 435.355 6.166 30 10 IKEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccccc1[N+](=O)[O-] 1874509704 QMHBHWHRBKLZMF-SSDVNMTOSA-N 433.896 5.106 30 10 IKEE Cc1cccc(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2ccc(Cl)cc2)c1C 1874517930 RCKSHJCFOXLYHG-WYMPLXKRSA-N 439.972 5.039 30 10 IKEE C=CCSc1nnc(C2CC2)n1/N=C/c1ccc(OCc2ccccc2C)c(OCC)c1 1874521217 HQBJIXANFJXQKF-WGOQTCKBSA-N 448.592 5.602 30 10 IKEE C=CCOc1ccccc1/C=N/n1c(C)nnc1SCc1ccc(Cl)c(Cl)c1 1874535644 PZXVXGULWUFUJW-FSJBWODESA-N 433.364 5.633 30 10 IKEE CCCCCCOc1ccc(/C=N/n2cnnc2SCc2ccc(F)cc2)cc1OC 1874536256 VHGVVRDNYFQKSL-CVKSISIWSA-N 442.560 5.559 30 10 IKEE O=C(COc1ccccc1/C=C/C(=O)c1ccc2c(c1)CCCC2)Nc1ccccc1F 1874571717 BURCRPJPDORCRT-FOCLMDBBSA-N 429.491 5.618 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)N[C@H](C)c2ccccc2)cc1 1874577959 NUAMKZWSTPCWRY-PHKMIBKXSA-N 429.516 5.238 30 10 IKEE O=C(/C=C/c1ccc(OCc2ccccc2F)c(Br)c1)c1ccccc1Cl 1874608695 BTIYQZYEDOHTDV-PKNBQFBNSA-N 445.715 6.717 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)OCC(C)C)c(Br)c2)cc1C 1874631467 DHFWUDJUIPZJFW-RMKNXTFCSA-N 445.353 5.540 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc4c(c3)OCO4)c2)cc1 1874694763 SOVHRCZTJITGDY-IZZDOVSWSA-N 430.456 5.102 30 10 IKEE CCc1ccccc1OCC(=O)Oc1cccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c1 1874698067 JSJIJWWCMXPBSB-XNTDXEJSSA-N 431.444 5.038 30 10 IKEE O=C(/C=C/c1cccc(OC(=O)c2ccccc2Br)c1)c1cccc(Cl)c1 1874699335 PZKRGAZDKUWSSF-VAWYXSNFSA-N 441.708 6.218 30 10 IKEE COc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1OC(=O)c1ccc(C)c(C)c1 1874706990 JVCNMCQHTDVJEX-NTCAYCPXSA-N 436.507 6.581 30 10 IKEE COc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OC(=O)c1ccc(F)c(F)c1 1874716563 YKYDDAKQHBMCGJ-WEVVVXLNSA-N 436.454 6.014 30 10 IKEE CCCCCCCCC(=O)N1[C@@H](C)CSc2nnc(COc3ccc(C)c(C)c3)n21 1875029053 PGYZTFPAUIFZNW-IBGZPJMESA-N 430.618 5.183 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(OC)c1OC(=O)c1cccnc1 1875096478 PQMISNDFFDNRQY-FMIVXFBMSA-N 439.467 5.367 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccccc3C)c(OC)c2)cc1 1875101410 NXOZYKUWPPMWIT-LFIBNONCSA-N 428.528 6.000 30 10 IKEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)c(Cl)c2)cc1 1875133354 QQMIGQQRXJXBFZ-ONNFQVAWSA-N 445.729 7.071 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCc3ccc(Cl)cc3)cc2)cc1F 1875152513 OFXCDKDKLSYDMH-AWNIVKPZSA-N 438.882 5.922 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1 1875154104 OKZDUUISENRAKM-RVDMUPIBSA-N 442.898 6.617 30 10 IKEE O=C(Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1Br)c1ccco1 1875155066 LEFNEZTYRGTBER-ZRDIBKRKSA-N 447.284 6.311 30 10 IKEE Cc1cccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2Cl)c1C 1875158066 CRGKVAMUBCVKHR-WUXMJOGZSA-N 438.882 5.976 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)cc2)c(C)c1C 1875167391 CESIYDLSHSTPGH-UXBLZVDNSA-N 444.571 6.330 30 10 IKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3)c([N+](=O)[O-])c2)c(C)c1 1875182915 AWAYLHQIVCEWBY-ONNFQVAWSA-N 433.435 5.774 30 10 IKEE O=C(Nc1cccc(Br)c1F)c1ccc(C(F)(F)F)cc1C(F)(F)F 1889902581 CCSSEKKSLKYSSS-UHFFFAOYSA-N 430.117 5.878 30 10 IKEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)Nc3nc(-c4ccccc4)c(C)s3)n[nH]2)c1C 1891009350 OGEQLJAEMYJGFD-UHFFFAOYSA-N 432.553 5.150 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@]12CCCC[C@@H]1N(C(=O)OC(C)(C)C)CC2 1922059882 KXBSCOJIBZAUOL-FXSPECFOSA-N 428.617 5.307 30 10 IKEE C=C(COCc1ccccc1)[C@H](CCCCCCCNC(=O)OC(C)(C)C)NCCC 1922060295 OFIICELDWJADGC-DEOSSOPVSA-N 432.649 5.993 30 10 IKEE CC[C@@H](NC(=O)OC(C)(C)C)[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1936065974 GVDNDQCEEGAOJG-VGOFRKELSA-N 437.968 5.667 30 10 IKEE C=C(COCc1ccccc1)[C@H](C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C)NCCC 2013393861 LOAPTLVXVYAJCC-VABKMULXSA-N 430.633 5.457 30 10 IKEE CCN[C@H](CC#CC1CCCCC1)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2035464738 HVUORYVKJMVFMJ-JWQCQUIFSA-N 442.644 5.439 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H]1C[C@H]2CCCC[C@H]2N(C(=O)OC(C)(C)C)C1 2058996519 SGBKAEWXUQFFQS-VPBXCIAMSA-N 442.644 5.553 30 10 IKEE C=CCC[C@H](C)C(=O)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071349799 SHMMLFFYBOOVKK-KMRXNPHXSA-N 430.544 6.049 30 10 IKEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCCC)c2ccc(Br)s2)C1 2072360316 IFAFFTCJRUORQL-MRXNPFEDSA-N 429.424 5.412 30 10 IKEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)C1(C#N)CCP(C)(=O)CC1 2073271480 LIHTXOLVOUQTEB-UHFFFAOYSA-N 427.279 5.240 30 10 IKEE Cc1ccc([C@H](n2nc(C(F)(F)F)c(/C=N/O)c2Br)C2(C)CC2)cc1F 2079007279 PXVFEPZNVLWWKX-GRLVRZOXSA-N 434.231 5.310 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]12CCC[C@@H](CN(C(=O)OC(C)(C)C)C1)C2 2079028084 AOWIBFWTLOKGMT-ONBPZOJHSA-N 442.644 5.555 30 10 IKEE COc1ccc([C@H](C(C)C)n2nc(C(C)C)c(C#N)c2I)c(C)c1 2079858092 KSRXIJLCCIHHCI-SFHVURJKSA-N 437.325 5.045 30 10 IKEE CC(C)(C)c1nn([C@H](c2ccc(C(F)(F)F)cc2)C(C)(C)C)c(Br)c1C#N 2079895135 OXUWJJLAHARBFV-MRXNPFEDSA-N 442.323 6.469 30 10 IKEE CC(C)[C@@H](c1ccc(C2CCC2)cc1)n1nc(C(F)(F)F)c(C#N)c1Br 2079988038 XGBKSPPKICIXTK-INIZCTEOSA-N 426.280 6.049 30 10 IKEE N#Cc1c(C2CCCCC2)nn(Cc2ccc(Br)cc2F)c1Br 2080305889 BWWRDMIFJBIKBO-UHFFFAOYSA-N 441.142 5.515 30 10 IKEE CC1(C)OB(c2cccc(OCCN(Cc3ccccc3)CC3CCCC3)c2)OC1(C)C 2095818903 HCENLQPJJVSMTA-UHFFFAOYSA-N 435.417 5.057 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H](Nc2cc(Br)c(C#N)cc2F)C1(C)C 2138963157 YWIHLHJDZHURAT-INIZCTEOSA-N 426.330 5.050 30 10 IKEE CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@@](C#N)(Nc1cccc(Br)c1)C2 2155262131 CCOIGQDHCBQJPZ-OAQYLSRUSA-N 434.378 5.325 30 10 IKEE CCCC1(Nc2ccc(C#N)c(Br)c2F)CCN(C(=O)OC(C)(C)C)CC1 2162310539 VKEKKENVNPKEGM-UHFFFAOYSA-N 440.357 5.442 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@@H]2Nc2cccc(Br)c2C#N)C1 2162310819 RHFBWHXWGQFUMY-RXVVDRJESA-N 434.378 5.302 30 10 IKEE CC(C)(C)OC(=O)NC1(c2ccccc2Nc2cccc(Br)c2C#N)CC1 2199695938 VJRNVSNIPPQQRF-UHFFFAOYSA-N 428.330 5.578 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](CC[C@H](O)C#Cc2ccccc2Br)C1 2235729359 IYSWEOSPNCENCO-QRQLOZEOSA-N 436.390 5.025 30 10 IKEE CCCN[C@H](C#Cc1ccccc1Br)C[C@H](NC(=O)OC(C)(C)C)C(C)C 2235736476 YHQQUKYTXATTEG-QUCCMNQESA-N 437.422 5.108 30 10 IKEE N#CCc1cccc(NC(=O)CCCNC(=O)OCC2c3ccccc3-c3ccccc32)c1 2243911663 VCJGSQTYFBJGNE-UHFFFAOYSA-N 439.515 5.010 30 10 IKEE Cc1cc(OCc2ccccc2)ccc1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267557996 WFYDHNHQUFDFSR-UHFFFAOYSA-N 449.381 5.187 30 10 IKEE N[C@@H](C#Cc1cccc(Br)c1)c1c(Br)cccc1Br 2278744880 VUBMDJXBGYNRNM-AWEZNQCLSA-N 443.964 5.026 30 10 IKEE CCN[C@H](CC#CC1CCCC1)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2289849475 JCPCAKHWPIOJEY-LJQANCHMSA-N 435.406 6.030 30 10 IKEE CCOc1ccc(Cl)cc1C=C1SC(=Nc2ccccc2)N(C[C@@H]2CCCO2)C1=O 2294002167 SYSLHZGKUNLUIS-IBGZPJMESA-N 442.968 5.522 30 10 IKEE COc1ccc2c(c1)c(C=C1Oc3cc(OC(=O)C4CCCCC4)ccc3C1=O)cn2C 2296871764 CTPUORKZJJHVLL-UHFFFAOYSA-N 431.488 5.289 30 10 IKEE COc1c2c(cc3c1[C@@H](CC(=O)C(C)=C[C@@H]1C(C)=CCCC1(C)C)N(C)CC3)OCO2 2297731144 SSFGQCRZUFDDEM-WOJBJXKFSA-N 425.569 5.241 30 10 IKEE CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 2299173473 JFEGPBYDVCOZMN-ZWKOTPCHSA-N 449.979 5.619 30 10 IKEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2302570879 DLIBIXMZQHHGRC-OTWHNJEPSA-N 433.524 5.153 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)[C@H]2CC[C@H]21 2309991385 WJDVHWQQVUFJLM-GLDPYIMESA-N 445.535 5.249 30 10 IKEE COc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(Cl)c(Cl)c2)C3=O)cc1 2314437030 APRPNAYTNBBWEF-UHFFFAOYSA-N 441.266 5.837 30 10 IKEE O=C1C(=Cc2ccc(Cl)cc2)Oc2cc(OCc3ccc(Cl)c(Cl)c3)ccc21 2314438531 WHEDJXKVQZNPGT-UHFFFAOYSA-N 431.702 6.842 30 10 IKEE O=C1NC(=Nc2ccc(Cl)cc2)C(=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)S1 2314480696 KMGXZZXFDNFDGV-UHFFFAOYSA-N 449.746 7.434 30 10 IKEE C=CCN1C(=O)C(=C(C)c2cccc(OC)c2)SC1=Nc1nc(-c2ccccc2)cs1 2314543613 IRMGAURMASXCKZ-UHFFFAOYSA-N 447.585 5.999 30 10 IKEE O=C(O)c1cccc(N=C2SC(=Cc3ccc(Cl)cc3)C(=O)N2c2ccccc2)c1 2314547746 LNBYWFSISXFPNN-UHFFFAOYSA-N 434.904 5.847 30 10 IKEE CC(C)N[C@](C#N)(CCC1CC1)CN(CCN(C)Cc1ccccc1)Cc1ccccc1 2318398739 LEHIPZLSEPUELQ-NDEPHWFRSA-N 432.656 5.071 30 10 IKEE CCOc1c(C=Nn2c(CC)nnc2SCc2ccccc2Cl)cccc1OC 2318571534 MRXYNTDSARNNAP-UHFFFAOYSA-N 430.961 5.076 30 10 IKEE CCCOc1c(OC)cc(C=NNc2oc([C@H]3C[C@H]3c3ccccc3)nc2C#N)cc1OC 2320837483 ZNCQJXOFDULTPA-OALUTQOASA-N 446.507 5.069 30 10 IKEE CCc1nnc(SCc2ccccc2F)n1N=Cc1cc(Br)ccc1F 2321004544 RFAPWWDUDYICOC-UHFFFAOYSA-N 437.313 5.056 30 10 IKEE CCCCCCCCCOc1ccc(C=Nn2c(S)nnc2C(C)(C)C)cc1OC 2321908647 WQCGQDAGMUHGIW-UHFFFAOYSA-N 432.634 5.885 30 10 IKEE COc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(Cc1ccc(Cl)cc1)C3 2321957332 XLPCOMXKKXERMU-UHFFFAOYSA-N 447.918 5.625 30 10 IKEE CCc1ccc([C@@H](C)N2COc3cc(C)c4c(c3C2)OC(=Cc2ccc(C)cc2)C4=O)cc1 2322260010 BBZKHBLVDWTEGY-HXUWFJFHSA-N 439.555 6.395 30 10 IKEE CCOC(=O)c1ccc(COc2c(C=CC(=O)c3cc(C)ccc3C)cccc2OC)o1 2322624127 VGJDGBRYFXPJJJ-UHFFFAOYSA-N 434.488 5.557 30 10 IKEE Cc1ccccc1C(=O)Oc1cc(C)c2c(c1)OC(=Cc1cccc(Br)c1)C2=O 2322681299 UHKYLQXEQWQEIN-UHFFFAOYSA-N 449.300 5.901 30 10 IKEE COc1cccc(C=C2Oc3cc(OC(=O)Cc4ccc(Cl)cc4)cc(C)c3C2=O)c1 2322894453 VHPQTVLXNRVMST-UHFFFAOYSA-N 434.875 5.421 30 10 IKEE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2sccc2C)C3=O)cc1OC 2323069041 HNRGUBGSTXBZSZ-UHFFFAOYSA-N 448.496 5.309 30 10 IKEE COc1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2)C3=O)cc1OC 2323069320 XCWAYYNSKBUIBR-UHFFFAOYSA-N 442.467 5.247 30 10 IKEE Cc1cccc(NC(=O)COc2cccc(C=CC(=O)c3ccc(Cl)cc3Cl)c2)c1 2323075961 BWVQWARKGFCJID-UHFFFAOYSA-N 440.326 6.215 30 10 IKEE Cc1ccccc1C=C1Oc2c(ccc(OC(=O)CCCOc3ccccc3C)c2C)C1=O 2323177367 HQDJGUHXDLIZGD-UHFFFAOYSA-N 442.511 5.993 30 10 IKEE CCc1ccccc1NC(=O)COc1cccc(C=CC(=O)c2cc(OC)ccc2OC)c1 2323178076 FLQBUTHSCSRZKP-UHFFFAOYSA-N 445.515 5.180 30 10 IKEE O=C(C=Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1)c1cccc2ccccc12 2323203275 PBSFYVAVICMWPW-UHFFFAOYSA-N 433.334 7.622 30 10 IKEE COc1ccccc1C=C1Oc2cc(OC(=O)c3ccc(Cl)c(Cl)c3)ccc2C1=O 2323258989 NEAMDRZVYWXWCG-UHFFFAOYSA-N 441.266 5.837 30 10 IKEE Cc1c(OC(=O)c2cccc([N+](=O)[O-])c2)ccc2c1OC(=Cc1ccc(C(C)C)cc1)C2=O 2323310239 FPFYNLPOYLBVKD-UHFFFAOYSA-N 443.455 5.862 30 10 IKEE Cc1ccc(COc2ccccc2C=Nn2c(S)nnc2CCc2ccccc2)cc1 2323503873 NQGCPLGPQPBMJL-UHFFFAOYSA-N 428.561 5.122 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1 2323628645 OHEGBTNJZFHELH-UHFFFAOYSA-N 441.296 6.072 30 10 IKEE COc1cc(C=CC(=O)c2ccccc2OC)ccc1OCC(=O)Nc1ccc(C)cc1C 2323719067 JGERSMHHQHSUPC-UHFFFAOYSA-N 445.515 5.234 30 10 IKEE CCCOc1c(OCC)cc(C=NNc2nc(-c3cccs3)cs2)cc1[N+](=O)[O-] 2323864899 UFQAYYOPKWNNRV-UHFFFAOYSA-N 432.527 5.413 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OCc1cccc(C)c1 2323865900 POMMXIHVVLQRHY-UHFFFAOYSA-N 426.556 6.824 30 10 IKEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 2323896668 HJVDGLBPTKUMKV-UHFFFAOYSA-N 433.460 5.396 30 10 IKEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3cc(C)ccc3C)cc2[N+](=O)[O-])cc1 2323949467 HRCXFLUNSFDBDE-UHFFFAOYSA-N 444.487 5.434 30 10 IKEE Cc1cc(O)c(CN2CCC(C)CC2)c2c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O2 2324152051 ZPWKAVJVRSWKJY-UHFFFAOYSA-N 432.347 5.856 30 10 IKEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2)C3=O)cc1Cl 2324352196 RTNHYTIUZMRXLP-INIZCTEOSA-N 433.891 5.671 30 10 IKEE N#C[C@H](C(=O)C=Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2324451521 VDFTXGICLVDFKA-OAHLLOKOSA-N 444.299 5.915 30 10 IKEE Cc1c(OCCC(=O)Nc2ccccc2)ccc2c1OC(=Cc1ccc(C(C)C)cc1)C2=O 2325481486 BNGMDMIRFOJXRM-UHFFFAOYSA-N 441.527 6.142 30 10 IKEE COc1ccccc1C=Nn1c(Cc2ccccc2)nnc1SCc1cccc(Cl)c1 2325494325 JDOMDWJTJSNLCB-UHFFFAOYSA-N 448.979 5.705 30 10 IKEE Cc1cccc(C)c1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1cccc(F)c1)C2=O 2325494412 UQPDWODOUDBABM-UHFFFAOYSA-N 431.463 5.385 30 10 IKEE CCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccccc1C(=O)O 2325564670 UGAZRMXUOYEUSI-UHFFFAOYSA-N 430.533 5.257 30 10 IKEE COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1OC(=O)Cc1cc(C)ccc1C 2325727227 BEVGIQFLQSWFRO-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE O=C(COc1cc(F)ccc1F)Oc1cccc(C=CC(=O)c2cccc(Cl)c2)c1 2325728803 HNKZUUYXPQAUKA-UHFFFAOYSA-N 428.818 5.499 30 10 IKEE Cc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4c(C)cc(C)cc4C)c3C)C2=O)cc1 2325736919 HAZHTWUTLJGBAJ-UHFFFAOYSA-N 441.527 5.862 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3cc(Cl)ccc3Cl)c2)cc1 2325738405 WLWSNODGRUDRKA-UHFFFAOYSA-N 441.310 6.182 30 10 IKEE C=CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1ccccc1O 2325905628 LWZQRNYRNWIXJG-UHFFFAOYSA-N 436.581 5.329 30 10 IKEE CCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1ccc(OCC)c(OCC)c1 2326677555 AZMDPYKNMBCUQC-UHFFFAOYSA-N 449.580 5.074 30 10 IKEE CCCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1ccc(F)cc1F 2327023020 COBQDGKEEBHDQN-UHFFFAOYSA-N 430.524 5.261 30 10 IKEE Clc1ccc(OCc2nnc(SCCc3ccccc3)n2N=Cc2ccco2)cc1 2327558191 FJMUNUCSQQTRNO-UHFFFAOYSA-N 438.940 5.321 30 10 IKEE COc1ccc(CCc2nnc(SCc3cccc(C)c3)n2N=Cc2ccccc2)cc1 2328572948 SLYOVJWXFTYFBL-UHFFFAOYSA-N 442.588 5.555 30 10 IKEE CCCOc1ccc(C=Nn2c(Cc3ccccc3F)nnc2SCC)cc1OCC 2329727774 XZARUEZGUXKOJE-UHFFFAOYSA-N 442.560 5.190 30 10 IKEE Cc1ccccc1CSc1nnc(COc2ccccc2)n1N=Cc1cccc(Cl)c1 2329883438 KUUBEJPSOOTZJT-UHFFFAOYSA-N 448.979 5.993 30 10 IKEE CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1ccc(OCc2ccccc2C)cc1 2330047263 FPQNYILFVKNEHL-HXUWFJFHSA-N 442.588 5.921 30 10 IKEE Cc1ccc(CSc2nnc(CC3CCCCC3)n2N=Cc2ccc(C(C)C)cc2)cc1 2330221718 WGJOAEAYQXDOSB-UHFFFAOYSA-N 446.664 7.007 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc(Cl)c1OC(=O)CC 2330603895 PSNWLGHHBIDTBT-UHFFFAOYSA-N 434.919 6.617 30 10 IKEE CC(C)C(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1Br 2330684685 DJZHQUNYZPQSMB-UHFFFAOYSA-N 427.338 5.785 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(OC)c3)c([N+](=O)[O-])c2)cc1 2330748418 MSVOYTQMPJNQLW-UHFFFAOYSA-N 431.444 5.281 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)ccc1OC(=O)Cc1ccccc1F 2330977049 QNKBTYBCTKLZJK-UHFFFAOYSA-N 434.463 5.277 30 10 IKEE C[C@@H](C(=O)Oc1ccc(C=CC(=O)c2cccc(Br)c2)cc1)c1ccccc1 2330994460 DMUGTEKQRVKECL-QGZVFWFLSA-N 435.317 6.054 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(Cl)c(OC(=O)Cc2cccs2)c(OC)c1 2331049528 MTZJSCKZNLHOPU-UHFFFAOYSA-N 442.920 5.463 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)c1cccc(C)c1 2331142411 KYYIGGJUOFIISV-UHFFFAOYSA-N 436.891 5.781 30 10 IKEE COc1ccc(C=Nn2c(CC(C)C)nnc2SCc2cc(C)ccc2C)c(OC)c1 2331455933 XEIDWKUQQNKPER-UHFFFAOYSA-N 438.597 5.285 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)c1cnccn1 2331508641 KRIYUVLSTVEXQN-UHFFFAOYSA-N 442.515 5.452 30 10 IKEE Cn1cc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CCC2)c2ccccc21 2331525653 GHQAYPBPMMDLLR-UHFFFAOYSA-N 435.984 5.865 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)cc(Cl)c1OC(C)=O 2331637062 TYGNTSXTPMZXNO-UHFFFAOYSA-N 443.710 5.876 30 10 IKEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OC(=O)Cc2ccc(C)cc2)cc1 2331741311 LVWIENYOQWCABX-UHFFFAOYSA-N 434.919 6.010 30 10 IKEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3c(C)cc(C)cc3C)cc2Cl)c1 2331768535 PRXIWEIKYVTBBS-UHFFFAOYSA-N 434.919 6.389 30 10 IKEE CCCN[C@H](C#Cc1nc(C)cs1)c1cc(Br)c(Br)s1 2363724675 GTFSKLRGPYPQRQ-LLVKDONJSA-N 434.222 5.130 30 10 IKEE CC1(C)OB(C=Cc2ccc(NC[C@]34CC[C@H]3CN(Cc3ccccc3)C4)nc2)OC1(C)C 2365048584 MCDDVWCYQLZDDY-HOFKKMOUSA-N 445.416 5.050 30 10 IKEE CC1(C)OB(/C=C/c2ccc(N[C@@H]3CCN(Cc4ccccc4)C4(CC4)C3)nc2)OC1(C)C 2365114617 ZFXLRLPPTYXTRQ-GTUDIADOSA-N 445.416 5.335 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@H](Nc2cccc(Br)c2C#N)[C@H]1C(F)(F)F 2370171936 HNOJCZUETCLNEN-GJZGRUSLSA-N 448.283 5.063 30 10 IKEE CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(F)c2)cc1 21239855 AKXPKDQMFWUDEL-WTYVLRPYSA-N 440.562 7.103 30 10 IKEE COc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccc(N(C)C)cc1)C2 21259743 COXYYNZAXCMJID-GDJIYFAZSA-N 439.559 5.741 30 10 IKEE COc1ccc(C(=O)/C(=C/c2cccc(Br)c2)c2nc3ccccc3o2)cc1 33934588 BCUUUDAXHAYMIM-RGEXLXHISA-N 434.289 6.022 30 10 IKEE C=CCNC(=O)[C@H](C)Oc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1ccccc1F)CC2 34667495 YPWTUUKWFBFQLO-DCFHFQCYSA-N 444.550 5.043 30 10 IKEE CCCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)ON=C3c3ccccc3)o2)ccc1Cl 35061485 YCDNLYMLGTVPIN-XMHGGMMESA-N 435.863 5.511 30 10 IKEE CCCCN(CCCC)Cc1c(O)ccc2c1O/C(=C/c1ccc(OC)c(OC)c1)C2=O 37857808 WHEQHRIFFBTEKK-LFVJCYFKSA-N 439.552 5.428 30 10 IKEE C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OCC)c(C)c3)=C(O)C(=O)N2CCCC)c1 40085906 NCDFRAUAGQMTJZ-DEOSSOPVSA-N 449.547 5.337 30 10 IKEE C=CCc1ccccc1OCCCn1c(CCNC(=O)C2CCCCC2)nc2ccccc21 40198476 ZWNVTKLPJUQJOG-UHFFFAOYSA-N 445.607 5.473 30 10 IKEE C=CCc1ccccc1OCCCn1c(CNC(=O)c2ccccc2)nc2ccccc21 40275710 ZQSWEXNKBWHKBY-UHFFFAOYSA-N 425.532 5.164 30 10 IKEE Cc1cc(O)c(CN2CCCC[C@@H]2C)c2c1C(=O)/C(=C/c1ccc(-c3ccccc3)cc1)O2 41511496 MQWZAJBWODUDHJ-WFSKJOQISA-N 439.555 6.358 30 10 IKEE CCCCCCCC/C=C/CCCCCCCC(=O)O[P@@](=O)(O)OCC[N+](C)(C)C 60037235 OKCYUHYFKODCNJ-OUKQBFOZSA-O 448.605 6.390 30 10 IKEE in-vitro C=CCOc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccc(C)cc2)cc1OC 64796042 IKMWEZWHAZNRKU-QGZVFWFLSA-N 449.528 5.469 30 10 IKEE CCn1c2ccccc2c2nnc(N/N=C/c3ccccc3OCc3ccc(C)cc3)nc21 64981670 BDCIDQIPNHGBGP-JVWAILMASA-N 436.519 5.333 30 10 IKEE CCCCCCCOc1cccc([C@@]2(C)Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)c1 100141034 ZXMNCYFTAAUZDW-HOFKKMOUSA-N 436.596 5.955 30 10 IKEE CCCCCCCCCCCn1c(CCCNC(=O)[C@H]2CCCO2)nc2ccccc21 102147500 INLHERXPXGEYPW-XMMPIXPASA-N 427.633 5.795 30 10 IKEE CCCCCCCCCCCC(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C(C)(C)C)C2 105340584 YKXMMGIRNIJJKK-SFHVURJKSA-N 434.690 6.857 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccc(C)cc2C)cc1 169925937 OMMJHCUDOMEQOO-OAQYLSRUSA-N 448.544 5.168 30 10 IKEE CCOc1c(Br)cc(/C=N\Nc2nc(-c3ccc(C)cc3)cs2)cc1OC 169940422 GFKPEUYIGJEYGM-JJFYIABZSA-N 446.370 5.734 30 10 IKEE CCCCOc1c(OC)cc(/C=N\Nc2nc(-c3ccccc3)cs2)cc1[N+](=O)[O-] 169943260 QQIZZUBULDIIBO-XKZIYDEJSA-N 426.498 5.352 30 10 IKEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(O)cc2)c1 169960580 CPARYYWLNLUZEE-QFIPXVFZSA-N 433.891 5.445 30 10 IKEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2cccc(C)c2)cc1 169972007 MOJJJYZRUQAWEX-VWLOTQADSA-N 441.527 5.399 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccncc1 170016837 MMTZXHGBAJPYFI-HSZRJFAPSA-N 442.515 5.171 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc3ccccc23)cc1C 170045430 XRGOCVRFLIXVCA-VWLOTQADSA-N 437.495 5.828 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccc(C)c2)cc1 170139151 DPXNJHINPGFLCW-QFIPXVFZSA-N 433.529 5.234 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccc(C)c2)c(C)c1 170140816 BXOBIOQVHGYZAM-DEOSSOPVSA-N 427.500 5.403 30 10 IKEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2ccc(OC(C)C)cc2)c1 170152258 HUQNIYGUSJMYHI-HSZRJFAPSA-N 437.536 5.251 30 10 IKEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccs2)cc1C 170163982 HCDPCHNIZQTMEU-QFIPXVFZSA-N 439.577 5.756 30 10 IKEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccn2)ccc1Cl 170170451 IFGDFJVCXMGMJB-JOCHJYFZSA-N 448.906 5.225 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccncc2)c1C 170203034 VFRKQZIGESIHHO-VWLOTQADSA-N 434.495 5.635 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3cc(Cl)ccc3OC)=C(O)C(=O)N2CCC)cc1 170215525 XTNJYAZMLBVGPB-NRFANRHFSA-N 443.927 5.126 30 10 IKEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccccc2)c1 170229038 DUAITDBSGPVILZ-JOCHJYFZSA-N 435.426 5.146 30 10 IKEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1ccc(F)cc1 170240393 PJYRKXMMGMVQNE-JOCHJYFZSA-N 435.426 5.065 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@H]1c1ccc(F)cc1 170243152 RWTJTZXRGUQPCE-HXUWFJFHSA-N 431.891 5.256 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccccc2F)cc1 170249375 MVLKSLWVTDJPDJ-QHCPKHFHSA-N 427.431 5.663 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@@H]1c1cccc(O)c1 170263376 PHOJZMTUMDZTHA-NRFANRHFSA-N 443.927 5.213 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(CC)cc1 170267708 OYQMSUJRMVWTOA-HXUWFJFHSA-N 432.347 5.934 30 10 IKEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2ccccc2C)cc1 170272588 RIYRMUJMYRWFLT-RUZDIDTESA-N 439.511 5.411 30 10 IKEE COc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 170328730 XYDDMDUWYLWPDH-HXUWFJFHSA-N 439.920 5.501 30 10 IKEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C(C)C)cc2)cc1 170378762 SVCVVGNCNOCVQA-XMMPIXPASA-N 429.516 6.309 30 10 IKEE COc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C(F)(F)F)cc2)c1 170431357 UABSIHCUDPYDPV-IBGZPJMESA-N 443.377 5.090 30 10 IKEE COc1cc(/C=C2\SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)ccc1O 252628809 SYGYADBSIGVFRH-ARKVWGHASA-N 430.529 5.826 30 10 IKEE C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)C(=O)/C(=C\c3ccc(OC(F)F)cc3)C[C@H]12 253572193 PXDOMWMSMCFAEF-LXFYYPNGSA-N 444.562 6.254 30 10 IKEE C=C(C)[C@@H]1CC[C@@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]34C)[C@@H]12 256079392 FELCJAPFJOPHSD-LIWUMPQWSA-N 440.712 7.204 30 10 IKEE C=C(CC[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@]3(C)CCC(=O)C(C)(C)[C@H]3CC[C@]12C 256430434 HKRMRIDUAZDXGO-QJOHUACISA-N 440.712 7.754 30 10 IKEE biogenic C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)cc1Cl)NCC 406117984 BQGYQRBVYJUGNM-ROUUACIJSA-N 445.829 5.483 30 10 IKEE C=C(COC(C)C)[C@H](NCCC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 407084384 IWDVQFLGHDFVOS-IBGZPJMESA-N 441.410 5.818 30 10 IKEE CN(C)c1ccc([C@@H]2C[C@]3(C)[C@H](CC[C@]3(O)CCCO)[C@H]3CCC4=CC(=O)CCC4=C23)cc1 504820525 IEXUMDBQLIVNHZ-IFJBLKETSA-N 449.635 5.156 30 10 IKEE biogenic N#Cc1cccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3Cl)[C@H]2c2ccc(F)cc2)c1 526522648 RGCWREQUEYOUJV-OAQYLSRUSA-N 439.273 6.061 30 10 IKEE CCOc1c(Cl)cc(/C=N\n2c(CC)nnc2SCc2cccc(F)c2)cc1OC 526825155 LSMQSGGEOFYSQG-MSXFZWOLSA-N 448.951 5.215 30 10 IKEE Cc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1/N=C\c1ccc(C(C)(C)C)cc1 526831575 RAGLJTDEZHXLCS-CFRMEGHHSA-N 440.569 5.217 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(CC#N)C(c2ccccc2)c2ccccc2)cc1 586181514 OTXBPXVHHCXQIZ-UHFFFAOYSA-N 446.616 6.113 30 10 IKEE Cc1ccc(N(C(=O)c2cccc(C#N)c2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 586271202 IDTWQZHNGANPRY-UHFFFAOYSA-N 445.327 5.209 30 10 IKEE Cc1ccc(/C=N/c2c(-c3nc(-c4ccccc4)cs3)nnn2Cc2ccccc2)cc1 606630015 AQJVJSBVXMOROC-JVWAILMASA-N 435.556 6.176 30 10 IKEE N#Cc1c(Br)cccc1Nc1cc(Cl)ccc1I 690215502 ZRSISDNGWGJGRD-UHFFFAOYSA-N 433.474 5.322 30 10 IKEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@]1(C#N)CCc2cc(Br)ccc21 698405625 IFNDNWYHZFBQDR-QFIPXVFZSA-N 427.342 5.551 30 10 IKEE CC(C)(C)OC(=O)N1CC[C@H]([C@](C)(C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)C1 698829651 GCBZKTDTWHUFJC-HJPURHCSSA-N 449.979 5.621 30 10 IKEE CCCCCCCCCCCC(=O)[C@H](CCSC)NC(=O)c1ccc(Cl)cc1 1615217255 QLEOHQJQURCBOC-NRFANRHFSA-N 426.066 6.682 30 10 IKEE Cc1cccc(N=C2S/C(=C/c3ccccc3OCc3ccccc3Cl)C(=O)N2C)n1 1772730233 AFUCSRLFVLYWHN-RWYGKYMDSA-N 449.963 5.856 30 10 IKEE O=C1/C(=C/c2ccc(Br)o2)SC(=Nc2nccs2)N1C1CCCCC1 1772732621 BVYHNXZFYHCKTO-TZJGTLJJSA-N 438.372 5.435 30 10 IKEE Cc1cccc(N=C2S/C(=C\c3ccc(Cl)cc3Cl)C(=O)N2c2ccccc2)n1 1772739710 YLXYTSNMEUHQFI-ZKZDLDBDSA-N 440.355 6.505 30 10 IKEE COc1cccc(-n2cc(/C=N\NC(=S)Nc3ccc(C)cc3)c(-c3cccs3)n2)c1 1857808508 AZVMGCLTKPCQET-OYKKKHCWSA-N 447.589 5.238 30 10 IKEE CCOC(=O)c1sc(NC(=O)c2ccc3oc(-c4ccccc4C)nc3c2)c(C#N)c1C 1859735975 GLFSCGGSXURXLP-UHFFFAOYSA-N 445.500 5.474 30 10 IKEE C=CCN(C(=O)CCCOc1ccc(Cl)cc1Cl)C1CCC(C(=O)OCC)CC1 1860022046 ONCAGCCGYWCWLM-UHFFFAOYSA-N 442.383 5.289 30 10 IKEE CCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccc(Cl)cc1 1861111851 KVIGPEHIZJZFJL-DEOSSOPVSA-N 443.031 5.477 30 10 IKEE CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(C(C)(C)C)cc1 1862382163 FUSFICOFVYVAPS-LJQANCHMSA-N 432.347 5.889 30 10 IKEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@H]2c2ccccc2C(=O)O)cc1 1862395159 NIJQJBKMFHBXRL-QFIPXVFZSA-N 435.520 5.106 30 10 IKEE CCOc1cccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccco2)c1 1862433684 IWYHJROAJORVMP-NRFANRHFSA-N 437.879 5.110 30 10 IKEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(O)c1 1862443761 SIICBARSMJBTSX-QFIPXVFZSA-N 441.955 5.984 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc(Cl)cc2Cl)cc1 1862481511 BRBYBAWHQOMUHG-HXUWFJFHSA-N 432.347 5.926 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(N(CC)CC)cc1 1862498487 JPPJUBXTBBGLKY-XMMPIXPASA-N 434.580 5.528 30 10 IKEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc(F)cc2F)cc1 1862535025 WAQYGOLQSGPGFR-PNDGYVOYSA-N 439.502 5.684 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc(C)cc2)cc1OC 1862576490 VTRMOCBEGHSSEV-IQOKHDRSSA-N 449.547 5.169 30 10 IKEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(Cl)c1 1862583442 BJECSRONPAXCRU-GOSISDBHSA-N 438.738 6.025 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(F)cc1F)c1cccc2ccccc12 1862650751 CHPFAOOKFCOMEW-XMMPIXPASA-N 447.481 6.029 30 10 IKEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862678115 OGASFDFVJWZOJV-UWSIMGETSA-N 449.566 6.280 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCCCO)[C@H]1c1ccccc1Cl)c1ccc2ccccc2c1 1862712183 LZSLVAUFKGUQEX-QHCPKHFHSA-N 449.934 5.234 30 10 IKEE Cc1c(Cl)cccc1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(F)cc2F)C1=O 1862936179 AITPMHCLCHJJEA-UHFFFAOYSA-N 449.844 5.195 30 10 IKEE C=CCN1C(=O)C(Nc2cc(C)c(Br)cc2C)=C(c2ccc(Cl)cc2)C1=O 1863177420 AZFXGCBNYPYPKJ-UHFFFAOYSA-N 445.744 5.097 30 10 IKEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(Cc3ccccc3Cl)C2=O)cc1C 1863254244 SKTKANZIVVPYBD-UHFFFAOYSA-N 441.918 5.221 30 10 IKEE CCc1ccc([C@@H](C)N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(C)c(C)c3)C2=O)cc1 1863260765 GGTSAYYUVZOOPF-HXUWFJFHSA-N 449.554 5.691 30 10 IKEE Cc1ccc(C)c(C2=C(Nc3ccc(C#N)cc3)C(=O)N(Cc3ccccc3Cl)C2=O)c1 1863401600 CDJLSHBOXGCQSW-UHFFFAOYSA-N 441.918 5.221 30 10 IKEE CCCc1nc(Nc2ccccc2C#N)cc(N2C[C@H](C)N(c3ccccc3)[C@H](C)C2)n1 1868398404 MFGNAUZSHYDMTH-BGYRXZFFSA-N 426.568 5.148 30 10 IKEE C[C@@H]1CN(c2cc(Nc3cccc(C#N)c3)nc(-c3ccc(C(C)(C)C)cc3)n2)CCO1 1868538470 PWQCEDWACAGZEF-GOSISDBHSA-N 427.552 5.281 30 10 IKEE C=CCN(CC=C)c1cc(N2CCc3ccccc3[C@H]2c2cccc(F)c2)nc(CCC)n1 1869215058 PXBUNYLFHYRPKK-MUUNZHRXSA-N 442.582 5.899 30 10 IKEE CCCCCCCCn1cc(OCc2c(Cl)ccc(Cl)c2Cl)c(=O)cc1C 1870093658 ULIYFDYFQIHGDO-UHFFFAOYSA-N 430.803 7.056 30 10 IKEE CCCCCCCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSCC 1870233202 YDYVMKYZEDHWSQ-UHFFFAOYSA-N 440.653 6.693 30 10 IKEE CCCCCCCOc1cn(CCCOC(C)C)c(CSc2ccccn2)cc1=O 1870251384 GVIJHSANDSWDGQ-UHFFFAOYSA-N 432.630 5.700 30 10 IKEE CCCCCCCCn1cc(OCc2cccc(F)c2)c(=O)cc1CN1CCC[C@@H](C)C1 1870614458 MTFQJRRBWLFLLB-JOCHJYFZSA-N 442.619 6.159 30 10 IKEE C=CCn1cc(OCCCOc2ccc(Cl)cc2)c(=O)cc1CN1C[C@H](C)C[C@@H](C)C1 1870778530 BQXVFRKIWQJART-WOJBJXKFSA-N 445.003 5.014 30 10 IKEE C=CCOc1cn(CCCCc2ccccc2)c(CNc2cccc(Cl)c2C)cc1=O 1870811605 FMKVVDJDXGGVFA-UHFFFAOYSA-N 436.983 6.010 30 10 IKEE CCCCN1COc2ccc3c(c2C1)O/C(=C\c1cn(CC)c2ccc(OC)cc12)C3=O 1871346644 PEKPUHKPDGGSKH-MSXFZWOLSA-N 432.520 5.238 30 10 IKEE Cc1ccsc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(C12CC4CC(CC(C4)C1)C2)C3 1871354363 OKJBQDVGEPGXLB-AFPJDJCSSA-N 447.600 6.102 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(CN(Cc3ccccc3)C(C)C)c(O)cc(C)c2C1=O 1871395104 GJLBWJWMKKAWRL-XKZIYDEJSA-N 433.573 6.097 30 10 IKEE CCCCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1cccc(Br)c1)C2=O 1871400009 AJAMBMNJXWUPJT-ODLFYWEKSA-N 445.309 5.096 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCCOc3ccc(Cl)cc3)ccc2C1=O 1871413042 RHBYSXFZEPBIPV-IWIPYMOSSA-N 436.891 5.813 30 10 IKEE CCOc1ccccc1/C=C1\Oc2cc(OCCOc3ccc(OC)cc3)cc(C)c2C1=O 1871414207 BNKAMGCIRVESDL-XYGWBWBKSA-N 446.499 5.476 30 10 IKEE Cc1ccsc1/C=C1\Oc2c(ccc(O[C@H](C)C(=O)Nc3c(C)cccc3C)c2C)C1=O 1871430078 BSODBJOHTIXJJW-LZAZYHHXSA-N 447.556 6.004 30 10 IKEE Cc1cccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)c1 1871455959 FSQXHJZHJIWXJB-UUYOSTAYSA-N 433.891 5.591 30 10 IKEE COc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c(OC)c1 1872769846 YZVZTBQTDHVCEA-HNNXBMFYSA-N 447.343 5.553 30 10 IKEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)c(Cl)c3)n2)cc1 1872770345 QMBYBYYCIGRQDR-MRXNPFEDSA-N 431.344 6.396 30 10 IKEE COc1ccc(C)cc1-c1csc([C@@H](C#N)C(=O)COc2cc(C)c(Cl)c(C)c2)n1 1872771162 NLNSKIVQMRRNCW-SFHVURJKSA-N 440.952 5.653 30 10 IKEE COc1c(Cl)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)c2ccc(C)c(C)c2)n1 1872778706 RFBPAVAHDLHOJE-MRXNPFEDSA-N 431.344 6.232 30 10 IKEE COc1ccccc1CC(=O)[C@@H](C#N)c1nc(-c2cc(Cl)cc(C)c2OC)cs1 1872786283 GTLVKULZJHAMHL-QGZVFWFLSA-N 426.925 5.208 30 10 IKEE N#Cc1nc(-c2cccs2)oc1N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1873461896 CXODXJATBFNHQE-DHRITJCHSA-N 434.908 5.953 30 10 IKEE CCCSc1nnc(C(C)C)n1/N=C/c1ccc(OCc2ccc(C)cc2)c(OC)c1 1873503294 GWBLOMPJPSDZMM-MFKUBSTISA-N 438.597 5.682 30 10 IKEE CCCCCCCCCCNC(=O)c1ccc(COc2ccc(OC(F)(F)F)cc2)o1 1873935053 FOXKHEWDKFFAKS-UHFFFAOYSA-N 441.490 6.628 30 10 IKEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3cc(C)ccc3OCC(C)C)c(=O)oc2c1 1873981906 UPRAYYRQVHVDGT-UHFFFAOYSA-N 449.547 5.581 30 10 IKEE CCOc1ccccc1OCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1ccco1 1874239400 GLQJHQAVLIDMAE-MFKUBSTISA-N 448.548 5.332 30 10 IKEE CCCOc1cccc(/C=N/n2c(COc3ccccc3OCC)nnc2SCC)c1 1874241160 RWJDPWYGCZWRFM-LFVJCYFKSA-N 440.569 5.039 30 10 IKEE CCCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874279791 RVXFJKHCYGJIGP-HYARGMPZSA-N 429.933 5.009 30 10 IKEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc(N(C)C)cc1 1874342264 HLZCKBLUEFFGFF-ZVHZXABRSA-N 425.989 5.139 30 10 IKEE Oc1ccccc1/C=N/n1c(Cc2ccc(Cl)cc2)nnc1SCc1ccccc1 1874342436 PSOIEWOEVTZOFJ-MFKUBSTISA-N 434.952 5.402 30 10 IKEE Cc1ccc(O)c(/C=N/n2c(SCCc3ccccc3)nnc2-c2ccccc2Cl)c1 1874365656 NTAGHIPSESATPA-WGOQTCKBSA-N 448.979 5.830 30 10 IKEE Cc1ccsc1/C=N/n1c(Cc2ccccc2F)nnc1SCc1ccc(F)cc1 1874373649 PMRCGDQZSYAENL-DHRITJCHSA-N 440.544 5.692 30 10 IKEE Cc1ccc(C)c(CSc2nnc(Cc3ccc(F)cc3)n2/N=C/c2cccnc2)c1 1874379858 QGHYHNZOBFUKHT-JFLMPSFJSA-N 431.540 5.194 30 10 IKEE CCc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2-c2ccccc2)cc1 1874429453 KMPOOSUYAXATGK-VUTHCHCSSA-N 448.595 6.835 30 10 IKEE COc1ccc2ccccc2c1/C=N/n1c(CC(C)(C)C)nnc1SCc1ccccc1 1874438606 JMQCPPLOOMPPTO-WPWMEQJKSA-N 444.604 6.203 30 10 IKEE COc1ccc(/C=N/n2c(SCc3ccccc3C)nnc2-c2ccco2)c(OC)c1 1874464512 NJWROZSADCUURC-ZVHZXABRSA-N 434.521 5.038 30 10 IKEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1cn(C)c2ccccc12 1874533390 GVDFJMVTHAJSHX-AUEPDCJTSA-N 430.364 5.560 30 10 IKEE COc1c(Cl)cc(C(=O)/C=C/c2ccccc2OCc2ccc(C)cc2)cc1Cl 1874590243 ARLFSHXKTWLQPI-VAWYXSNFSA-N 427.327 6.786 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2cccc(OCc3cccc(F)c3)c2)cc1Cl 1874599027 RBNQUMSFPHCNPH-MDZDMXLPSA-N 426.871 5.971 30 10 IKEE COc1ccc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc1OCc1ccc(F)cc1 1874600315 FYGRTYDMGJMLTJ-UXBLZVDNSA-N 440.898 6.280 30 10 IKEE CCCOc1c(Br)cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1OC 1874603977 OOKQNYRBDYNLSF-DHZHZOJOSA-N 429.354 6.021 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3Cl)c(OCC)c2)cc1 1874615317 REFJOSSFICPJPG-OQLLNIDSSA-N 436.935 6.613 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OCc1ccc(C)cc1 1874622222 SAUPYJAPGOFTPJ-LFIBNONCSA-N 444.571 6.785 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)c(C)c1C 1874626692 RSSPYEOXMZXHDQ-DHZHZOJOSA-N 441.354 7.094 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OCCCO)c(OCC)c2)c(OCC)c1 1874632264 SNAGPMWHVOOWTE-DHZHZOJOSA-N 448.943 5.193 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1OC(=O)c1ccc(C)cc1 1874692057 LJWZCRXIUAUDOK-VCHYOVAHSA-N 448.518 6.786 30 10 IKEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3sccc3C)c2)c1 1874704624 VOVYMABYAOYQPT-VMPITWQZSA-N 438.501 5.198 30 10 IKEE COc1cc(OC)c(C(=O)/C=C/c2cccc(OC(=O)c3cccs3)c2)cc1Cl 1874713615 GJHAWASXVODNCQ-CMDGGOBGSA-N 428.893 5.534 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)c(F)c2F)cc1)c1cccc([N+](=O)[O-])c1 1875084919 GXBIJWTWNCQWSU-IZZDOVSWSA-N 427.334 5.127 30 10 IKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3sccc3C)c(Cl)c2)cc1 1875106938 RZJOAFZGEOOIIR-XYOKQWHBSA-N 438.976 7.168 30 10 IKEE COc1ccc(Cl)cc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1 1875117062 GXGFOLZIQKUBCX-UUILKARUSA-N 437.835 5.372 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2cc(Cl)ccc2Cl)cc1)c1ccc(F)cc1F 1875120140 DOXPZGLREJHNPN-XCVCLJGOSA-N 433.237 6.387 30 10 IKEE CCOc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1 1875123059 AGRZHEUYYVUSEY-NTCAYCPXSA-N 436.891 5.619 30 10 IKEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 1875123327 ZWUOIKKBZDZVNB-CSKARUKUSA-N 437.835 5.372 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)COc1ccc(C)c(C)c1 1875128407 FJLSAWBXSNGHTJ-SDNWHVSQSA-N 430.500 5.583 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)Cc1ccc(C)cc1 1875131378 VDURVNGIZAIIBH-ZRDIBKRKSA-N 448.946 6.318 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1ccc(C)cc1 1875145078 FCDDYMIZLWRVPX-UKTHLTGXSA-N 430.500 5.826 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(Cl)cc3)cc2)cc1F 1875152432 MIMGUAJBNMNGOL-UUILKARUSA-N 440.854 5.368 30 10 IKEE CCOc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OC(=O)c1cccc(C)c1 1875154458 GGLYPKAZQXMGFD-JQIJEIRASA-N 436.507 6.662 30 10 IKEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)Cc1ccccc1F 1875156784 HYGOWGZUDMXSDR-RIYZIHGNSA-N 432.491 6.002 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)c1ccco1 1875162348 IVHYMKJVCOHCCH-VMPITWQZSA-N 432.806 5.725 30 10 IKEE CCOc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)c(C)c3)cc2)cc1 1875176011 RTOLCDDFFZUQFV-LZYBPNLTSA-N 430.500 5.583 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccccn2)c(Cl)c1 1875180911 FJQSXGXZAQXTDM-SOFGYWHQSA-N 442.298 5.821 30 10 IKEE Cc1ccc(OCCCC(=O)Oc2ccc(/C=C/C(=O)c3c(C)cc(C)cc3C)cc2)cc1 1875182439 DJOHVXKIBZUWCR-LFIBNONCSA-N 442.555 6.581 30 10 IKEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N1CCC[C@@H](C)C1)n2CC 1875201650 UPZYAKJWNJLKRO-HXUWFJFHSA-N 427.637 5.876 30 10 IKEE C=CCC1([C@@H](NCC)c2ccc(Br)c(F)c2)CN(C(=O)OC(C)(C)C)C1 1895074448 ZMHHFPJUSLGXPY-KRWDZBQOSA-N 427.358 5.052 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NC)c1cccc(Br)c1Br 1922092505 SUFYOPGWQJRBEZ-GOSISDBHSA-N 425.164 5.245 30 10 IKEE C=C[C@](CCC)(NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](CC(C)C)C(=O)O 1927538765 HWPBTIVSCQAFGT-SHQCIBLASA-N 435.564 5.997 30 10 IKEE CC(C)(C)OC(=O)N(CC1CC1)[C@@H](C#N)c1cc(Br)ccc1Br 1935890887 MLQGWUOBBPHNEF-HNNXBMFYSA-N 444.167 5.423 30 10 IKEE CC1(NC(=O)OC(C)(C)C)CCC(C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)CC1 1940837723 XNXPDOJZBVXGDS-UHFFFAOYSA-N 429.561 5.548 30 10 IKEE CN(CCC[C@@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1)C(=O)OC(C)(C)C 2002695295 HJXSGHYMCDTGKI-DEOSSOPVSA-N 437.625 5.876 30 10 IKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1cc(I)ccc1F 2003649063 FSCZZLRUJNILSG-HXUWFJFHSA-N 439.312 5.244 30 10 IKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@](C)(CC(F)(F)F)NC(=O)OC(C)(C)C 2006524888 XRKZIAKNLFUSCU-UGKGYDQZSA-N 444.538 5.363 30 10 IKEE C=CCCCCCC[C@@H](NCCC)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2026003186 OFCWJQINAANHRX-RPWUZVMVSA-N 432.649 5.991 30 10 IKEE CCCCCCCCCNC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 2026327531 VOIIZBUEOHDPRW-UHFFFAOYSA-N 443.673 5.525 30 10 IKEE COc1ccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@H](NC(=O)OC(C)(C)C)C(C)C)cc1 2028028734 XFHVVQKTOHIJFE-NTKDMRAZSA-N 447.576 5.268 30 10 IKEE CC(C)(C)OC(=O)N1CCC(C[C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)CC1 2045574425 GXEMNGBIKXNKCT-NRFANRHFSA-N 449.636 5.876 30 10 IKEE CC1(C)OB(c2cc(Cl)cnc2Oc2ccc(OCc3ccccc3)cc2)OC1(C)C 2052492829 RUPIIXKXUFICLW-UHFFFAOYSA-N 437.732 5.406 30 10 IKEE Cc1ccc(N=C2SC(=Cc3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(C)cc2)cc1 2053505133 LVRAFANJAQSBKR-UHFFFAOYSA-N 429.501 6.020 30 10 IKEE O=C(C=Cc1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1cc(Cl)ccc1Cl 2053613198 YGWPNMBKQYDKMF-UHFFFAOYSA-N 432.288 5.739 30 10 IKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCN(C(=O)OC(C)(C)C)C[C@@H]1C 2070605724 RJVHENNEUJSUPC-DFBJGRDBSA-N 443.588 5.666 30 10 IKEE C#CC[C@@H](CNc1c(Br)cc(Br)cc1Br)C1CC1 2076092847 RZGKFKOWYUNFBC-JTQLQIEISA-N 435.985 5.436 30 10 IKEE Cc1ccc([C@H](n2nc(C3(C)CC3)c(C#N)c2I)C2(C)CC2)cc1C 2079138649 XZVHUKYVMIONHG-SFHVURJKSA-N 445.348 5.417 30 10 IKEE Cc1nn([C@H](c2ccc(C(C)C)cc2)C2(C)CC2)c(I)c1C=NO 2079883740 DSSAHNSRCAZUQP-QGZVFWFLSA-N 437.325 5.117 30 10 IKEE CC(C)c1nn([C@H](c2ccc(C3CCC3)cc2)C(C)(C)C)c(Br)c1C=NO 2079929354 SXBJVHZEOSESJM-HXUWFJFHSA-N 432.406 6.480 30 10 IKEE C=CCCCCCCCCC[C@H](N)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2086280372 FVNLTXYAPKNDRT-LOSJGSFVSA-N 445.692 6.036 30 10 IKEE C=CCN(CC[C@@H](NCC)c1c(Br)ccc(Cl)c1F)C(=O)OC(C)(C)C 2099286737 BXWMKTCECKTHIA-OAHLLOKOSA-N 449.792 5.705 30 10 IKEE N#Cc1c(F)cc(Br)cc1NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2163706050 CFFQAHSXSCAJEI-YQQQUEKLSA-N 428.349 5.457 30 10 IKEE C#CCCCC[C@@H](NCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2173491881 XKRDVRUNAQUHKZ-WOJBJXKFSA-N 437.422 5.057 30 10 IKEE C=CCN(CC[C@@H](NCCC)c1cc(F)c(Br)c(F)c1)C(=O)OC(C)(C)C 2207169160 XECQNUYNQMYRRP-QGZVFWFLSA-N 447.364 5.581 30 10 IKEE CN[C@H](CC=CC#CC(C)(C)C)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2248473624 KHTKPNADNSMVKW-PKTZIBPZSA-N 428.617 5.070 30 10 IKEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 2261832687 QVXDIXFORIOKSB-ZJMAKVHZSA-N 436.548 5.005 30 10 IKEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N(Cc2ccccc2)[C@@H](C)C(C)(C)C)c1 2267594839 AMOUNWDYNFTXGW-FQEVSTJZSA-N 435.417 5.371 30 10 IKEE CC(C)(C)C#CC=CC[C@H](N)c1cc(I)ccc1Br 2268813467 LJUZBVZTZFLFBU-HNNXBMFYSA-N 432.143 5.049 30 10 IKEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(OC)c(Br)s1 2278282353 PSMFHBLKDRGDCM-XJKSGUPXSA-N 447.439 5.419 30 10 IKEE C=CCCC1([C@H](Cc2ccc(C)c(Br)c2)NC)CN(C(=O)OC(C)(C)C)C1 2281055131 DVRGWTMAEQPJGS-IBGZPJMESA-N 437.422 5.091 30 10 IKEE CCN[C@H](C#CC1CCCCC1)c1cc(Br)ccc1I 2289787733 AEDZLZCOIBBWQC-QGZVFWFLSA-N 446.170 5.288 30 10 IKEE Cc1ccccc1N=C1SC(=C2Sc3ccccc3N2C)C(=O)N1c1ccc(F)cc1 2295196171 ZUGRIJCPIJANTG-UHFFFAOYSA-N 447.560 6.313 30 10 IKEE CCCN[C@@H](C#Cc1ccccc1Br)[C@H](NC(=O)OC(C)(C)C)[C@H](C)CC 2296064698 PITCJIJAZROPBH-LSTHTHJFSA-N 437.422 5.108 30 10 IKEE CC1CCC(CNC(=O)OC(C)(C)C)(C(=O)C#Cc2cccc(Br)c2)CC1 2296232347 MXIWHKGMDSVJMF-UHFFFAOYSA-N 434.374 5.091 30 10 IKEE ON=Cc1cc(Br)cc(Br)c1OCc1cccc2ccccc12 2296474251 JWTORVUUFFXOCS-UHFFFAOYSA-N 435.115 5.752 30 10 IKEE COc1ccc2ccccc2c1C=C1SC(=Nc2ccccc2)N(c2ccccc2)C1=O 2297296080 FEMIEZRCXCANGU-UHFFFAOYSA-N 436.536 6.657 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCC2)[C@@H]1C(F)(F)F 2303930735 MMEBABSCUATVEV-QRWLVFNGSA-N 447.498 5.000 30 10 IKEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2304201053 VNUPNNSFQLVEKO-HOOSLVGPSA-N 429.561 5.356 30 10 IKEE O=C1C(=Cc2ccc(Br)cc2)SC(=Nc2ccccc2)N1C1CCCCC1 2313541289 YEPOMVOZKCOTOD-UHFFFAOYSA-N 441.394 6.386 30 10 IKEE O=C(C=Cc1ccccc1)Oc1cccc(C=CC(=O)c2ccc(Br)cc2)c1 2314429560 JWIRUTGEXBZFQL-UHFFFAOYSA-N 433.301 5.964 30 10 IKEE Cc1ccc(C=C2Oc3cc(OCc4ccc(Br)cc4)cc(C)c3C2=O)o1 2321847386 IQZPQGNVRJTULV-UHFFFAOYSA-N 425.278 5.854 30 10 IKEE COC(=O)c1ccc(COc2cc(C)c3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1 2321856478 HFGVNFSDXKNEOZ-UHFFFAOYSA-N 434.875 5.630 30 10 IKEE C=Cc1ccc(COc2ccc3c(c2C)OC(=Cc2ccc(Cl)cc2Cl)C3=O)cc1 2321869965 OAKXYJROVZQWRW-UHFFFAOYSA-N 437.322 7.140 30 10 IKEE CCOc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(Cc1ccc(C)cc1)C3 2321958780 KPVSATAXTAWWDI-UHFFFAOYSA-N 441.527 5.670 30 10 IKEE COc1ccc([C@@H](C)N2COc3cc(C)c4c(c3C2)OC(=Cc2ccc(F)cc2)C4=O)cc1 2322244666 LILXIKUIOALIIL-QGZVFWFLSA-N 445.490 5.672 30 10 IKEE CCc1ccc([C@H](C)N2COc3cc(C)c4c(c3C2)OC(=Cc2cccc(F)c2)C4=O)cc1 2322260056 LEAGCSRESJSIGC-SFHVURJKSA-N 443.518 6.226 30 10 IKEE CCCOc1c(C=CC(=O)c2ccc3c(c2)CCCC3)cc(Br)cc1OC 2322339313 IPVKCIGRNPYKST-UHFFFAOYSA-N 429.354 6.021 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc(C(C)(C)C)cc1)C3=O)CN([C@@H]1CCCC[C@H]1C)CO2 2322391840 VMXHXVSVYWLXHI-HOYKHHGWSA-N 445.603 6.639 30 10 IKEE Cc1c2c(cc3c1OC(=Cc1ccc([N+](=O)[O-])cc1)C3=O)CN([C@H]1CCCC[C@@H]1C)CO2 2322391881 ZUKXCNBBOYRBHU-BTYIYWSLSA-N 434.492 5.250 30 10 IKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccc(F)cc2)c1C 2322836683 OQUWFZLOAHCUDK-UHFFFAOYSA-N 431.507 5.973 30 10 IKEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCc2ccccc2C)cc1Cl 2322979113 PWXNZORMAYYMDX-UHFFFAOYSA-N 427.327 6.786 30 10 IKEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3ccccc3CC)c2)cc1 2323063365 LEUHXVATWGSXMN-UHFFFAOYSA-N 443.543 5.734 30 10 IKEE Cc1cc(OC(=O)CCCOc2ccccc2)cc2c1C(=O)C(=Cc1cccc(F)c1)O2 2323177918 JZLHXKJNMJOIEQ-UHFFFAOYSA-N 432.447 5.515 30 10 IKEE C=CCc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1ccccc1 2323379635 XVOFZZWUQNDNAB-UHFFFAOYSA-N 429.472 5.807 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 2323481506 HYWVTAKGNBCWFT-UHFFFAOYSA-N 431.488 6.031 30 10 IKEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1C 2323674712 URUIMICUWMVHQY-UHFFFAOYSA-N 437.879 6.040 30 10 IKEE O=C(C=Cc1ccc(OCCc2ccccc2)c(Br)c1)c1cccc(Cl)c1 2323766657 CJFNKMMGARSBII-UHFFFAOYSA-N 441.752 6.620 30 10 IKEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(OC)c1OCc1ccccc1Cl 2323790064 DIMRSNQZBKPGLZ-UHFFFAOYSA-N 443.326 6.486 30 10 IKEE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2323823509 NLTMAJGIWBLVRN-UHFFFAOYSA-N 434.875 5.964 30 10 IKEE C=C(C)COc1c(Br)cc(C=CC(=O)c2ccc(OCC)cc2)cc1OCC 2323840729 PIZFCUJBZWIFEO-UHFFFAOYSA-N 445.353 6.098 30 10 IKEE CCOc1cc(C=NNc2nc(-c3ccc(Cl)cc3)cs2)cc([N+](=O)[O-])c1OC 2323864884 SWFXZVPHXBQPCD-UHFFFAOYSA-N 432.889 5.225 30 10 IKEE COc1ccc(OC)c(C(=O)C=Cc2cc(OC)c(OCCc3ccccc3)c(OC)c2)c1 2324016802 BWUSZUXUJZUUGK-UHFFFAOYSA-N 448.515 5.239 30 10 IKEE CC(C)c1ccc(C(=O)C=Cc2ccc(OCc3ccccc3)c(Br)c2)cc1 2324162676 JDXIIBQHHYJEMK-UHFFFAOYSA-N 435.361 7.048 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OCc1ccccc1Cl 2324190750 GLXMZGOGNNAZEA-UHFFFAOYSA-N 445.317 7.006 30 10 IKEE CCOc1cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc([N+](=O)[O-])c1OCC 2324285033 OIVMOAWBDDVEBK-UHFFFAOYSA-N 433.460 6.081 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OCc3cccc(F)c3)c(Br)c2)cc1C 2324450358 LCNZDHBQPNXYAY-UHFFFAOYSA-N 439.324 6.680 30 10 IKEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OCC(=O)Nc1ccc(C)cc1 2324567789 DBQSNAKPDQUJFG-UHFFFAOYSA-N 443.543 5.842 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OCc3cc(C)ccc3C)c(Cl)c2)cc1C 2324631005 GPARDSRSWKCVQJ-UHFFFAOYSA-N 434.963 7.057 30 10 IKEE Cc1ccsc1C=C1Oc2c(ccc(OCCOc3cccc4ccccc34)c2C)C1=O 2324696845 CHNKSXRXDXYXMV-UHFFFAOYSA-N 442.536 6.592 30 10 IKEE COc1cccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4c(C)cccc4C)ccc3C2=O)c1 2325141752 OZGAOGJYIQLDIL-SFHVURJKSA-N 443.499 5.334 30 10 IKEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2)C3=O)c(Cl)c1 2325298911 FSBOCVBDLYALHD-UHFFFAOYSA-N 433.891 5.591 30 10 IKEE CCOc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2sccc2C)C3=O)cc1 2325705684 LRTNTMQCZXAGRY-UHFFFAOYSA-N 449.528 5.397 30 10 IKEE COc1ccc(C=CC(=O)c2ccccc2)cc1OC(=O)[C@@H]1C[C@H]1c1ccccc1Cl 2325731628 SIERKQKETRZVFT-LEWJYISDSA-N 432.903 5.954 30 10 IKEE O=C(C=Cc1cccc(OC(=O)c2ccccc2Br)c1)c1ccc(F)c(F)c1 2325753473 JXAOBXQPEOPIAP-UHFFFAOYSA-N 443.243 5.843 30 10 IKEE C=C(C)CSc1nnc(COc2ccc(OCC)cc2)n1N=Cc1ccc(CC)cc1 2326661192 ZZFYCHZLPMBGMK-UHFFFAOYSA-N 436.581 5.369 30 10 IKEE CCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1cccc(Cl)c1 2326707717 MEOKFPOMDXJHFH-UHFFFAOYSA-N 425.772 5.975 30 10 IKEE CCSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1c(Cl)cccc1Cl 2327175151 XCSHYBNJFACBCE-UHFFFAOYSA-N 449.407 5.899 30 10 IKEE Cc1ccc(CSc2nnc(CCOc3ccccc3)n2N=Cc2ccccc2O)cc1 2329150566 CFMKSHFWRNTWTI-UHFFFAOYSA-N 444.560 5.088 30 10 IKEE C=CCSc1nnc(Cc2ccc(OC)cc2)n1N=Cc1ccc(C(F)(F)F)cc1 2329282778 QPSDNZFWFLOFQU-UHFFFAOYSA-N 432.471 5.057 30 10 IKEE Fc1cccc(C=Nn2c(Cc3ccccc3F)nnc2SCc2ccccc2F)c1 2329743451 MRBLQLCNKLVIMH-UHFFFAOYSA-N 438.478 5.461 30 10 IKEE COc1ccccc1C=Nn1c(Cc2ccc(C)cc2)nnc1SCc1ccc(C)cc1 2329933875 NKAMSGVJMCJEAQ-UHFFFAOYSA-N 442.588 5.669 30 10 IKEE Cc1ccc(CSc2nnc(Cc3cccs3)n2N=Cc2ccccc2[N+](=O)[O-])cc1 2330316702 ATYKEXLULXBSDK-UHFFFAOYSA-N 449.561 5.322 30 10 IKEE COc1cccc(C=Nn2c(Cc3cccs3)nnc2SCc2ccc(F)cc2)c1 2330334279 QLPWLAQOIRWERC-UHFFFAOYSA-N 438.553 5.253 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2cccc3ccccc23)cc1 2330452443 APGYBKODDYYTIE-UHFFFAOYSA-N 448.595 6.505 30 10 IKEE CCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(CC)cc2)cc1Br 2330748050 WQKXRSZKDXAPMO-UHFFFAOYSA-N 443.381 6.783 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc4ccccc4n3C)cc2)cc1C 2330856622 BICGQAKCVJYDRM-UHFFFAOYSA-N 425.484 5.611 30 10 IKEE CCSc1nnc([C@@H]2CCCO2)n1N=Cc1ccc(N(CC)Cc2ccccc2)cc1 2330944165 QLNRKEUPJXDVSF-QFIPXVFZSA-N 435.597 5.150 30 10 IKEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)c1ccccc1C 2331105202 PYWGFIDRRROLGO-UHFFFAOYSA-N 448.465 6.126 30 10 IKEE CC(C)c1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C(F)(F)F)cc1 2331141806 ITTMPSQLROCJNF-UHFFFAOYSA-N 438.906 6.248 30 10 IKEE CC(C)(C)c1nnc(SCCc2ccccc2)n1N=Cc1cccc(Br)c1 2331398199 RHPSYPIVXQZWLW-UHFFFAOYSA-N 443.414 5.555 30 10 IKEE CC(C)(C)c1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc2c(c1)OCCO2 2331410892 NPXITBDNKGDVAL-UHFFFAOYSA-N 442.972 5.175 30 10 IKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccc(Cl)cc3)cc2)cc1 2331411673 AUOGSWIEPALBPJ-UHFFFAOYSA-N 448.946 6.518 30 10 IKEE COCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccc(Cl)cc1Cl 2331577798 RZTDXJWBJFLDLD-UHFFFAOYSA-N 435.380 5.523 30 10 IKEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)c1ccc(C)c(C)c1 2331673178 KHMURLCNJIZESL-UHFFFAOYSA-N 444.527 6.053 30 10 IKEE CCOc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)ccc1OC(=O)c1ccco1 2331757885 ZWNSFLHVGDDNOF-UHFFFAOYSA-N 440.879 5.764 30 10 IKEE COc1cc(C=NNc2oc(-c3cccs3)nc2C#N)ccc1OCc1ccccc1 2331938136 IHLIDUJBCDMTQN-UHFFFAOYSA-N 430.489 5.308 30 10 IKEE CC(C)(C)OC(=O)N1[C@H](CNc2cc(Br)cc(F)c2C#N)C[C@H]2CCC[C@@H]21 2360241347 DTZUNNHHNONNNM-IAISJRAMSA-N 438.341 5.050 30 10 IKEE COc1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2C)c(Br)cn1 2362200105 XINBEDMEPFPBJI-QGZVFWFLSA-N 432.318 5.168 30 10 IKEE C=CCC(CC=C)[C@H](NCCC)c1cc(I)ccc1Br 2364095805 PWKFHGXRXVFZTL-KRWDZBQOSA-N 448.186 5.863 30 10 IKEE CC1=C(C(=O)Nc2cccc(F)c2)[C@H](c2ccccc2Cl)C2=C(CC(C)(C)CC2=O)N1 10013489 UZWHFSOTMFIAEN-QFIPXVFZSA-N 438.930 5.722 30 10 IKEE COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccco2)cc(OC)c1OC 21251955 ZRFCFNPDCSTIHQ-MQNRADLISA-N 446.503 5.285 30 10 IKEE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\Oc3ccc(C)cc3C2=O)c(C)c1 39842437 ZLMHCBOMBSFMPW-PKAZHMFMSA-N 448.522 6.337 30 10 IKEE Cc1nnc(/N=C2/S/C(=C\c3ccc(Cl)cc3Cl)C(=O)N2c2ccccc2)s1 39866443 GAKFOZZJSGLDHY-YSHZOFOISA-N 447.372 5.962 30 10 IKEE C=CCOc1cccc([C@H]2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2CCCC)c1 39911925 NYYZYZPSQOLGBO-DEOSSOPVSA-N 431.536 5.309 30 10 IKEE C[C@@H]1Oc2ccc(-c3csc(-c4ccccc4)n3)cc2N(Cc2ccccc2C#N)C1=O 40593519 FBYWDOMVNIXNEA-KRWDZBQOSA-N 437.524 5.663 30 10 IKEE C[C@@H]1CCc2c(C#N)c(NC(=O)COc3ccc(-c4ccccc4)cc3)sc(=S)c2C1 41014708 FKZONAZYWYADHR-MRXNPFEDSA-N 446.597 6.159 30 10 IKEE CCCCCCCOc1ccccc1[C@]1(C)Nc2ccccc2C(=O)N1Cc1ccccc1 100140066 RBUUQXRXNUHANT-GDLZYMKVSA-N 442.603 6.977 30 10 IKEE CCCCCCCCCCCn1c(C)c(C(N)=O)c(-c2ccc(C#N)cc2)c1CCCC 102448688 UBSOEKCDPAUNMW-UHFFFAOYSA-N 435.656 7.308 30 10 IKEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2cccc(Cl)c2)cc1 103222806 AIPXHOOUQFXYBZ-LAFOYAEKSA-N 438.936 5.348 30 10 IKEE CCCc1nnc(SCc2ccc(Br)cc2)n1/N=C\c1ccc(CC)cc1 135884020 AUMSWALUTLRYJO-UCQKPKSFSA-N 443.414 5.730 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2cc(C)cc(C)c2)cc1 169922374 XTDCRTCAMKWHEU-VWLOTQADSA-N 441.527 5.712 30 10 IKEE COc1ccc([C@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2c2ccc(C)cc2)cc1 169925444 DXRXUDYDIRXGPI-DEOSSOPVSA-N 443.499 5.104 30 10 IKEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(F)c(C)c2)=C(O)C(=O)N1c1ccc(F)cc1 169940678 ZBLQROAPYRZKPI-JOCHJYFZSA-N 435.426 5.065 30 10 IKEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2cccs2)c1 169988197 QUVPFJLPGGILSJ-FQEVSTJZSA-N 425.456 5.426 30 10 IKEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cccc3ccccc23)[C@@H]1c1cccnc1 170007897 SDUCYRGAEFCAIF-XMMPIXPASA-N 436.467 5.026 30 10 IKEE CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2c2ccccc2)cc1 170028648 YYXKAUBOUHIWSF-DEOSSOPVSA-N 443.499 5.185 30 10 IKEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C2CCCC2)cc1 170033978 QBZYAKRSDQYPFF-JOCHJYFZSA-N 439.939 5.650 30 10 IKEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)[C@H]2c2ccccc2)c1 170049350 ILLHQNWIOTXRFB-DEOSSOPVSA-N 441.527 5.776 30 10 IKEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccccc2F)cc1 170069596 BXHVPBDNUMOTGY-NRFANRHFSA-N 437.854 5.271 30 10 IKEE Cc1ccsc1[C@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1CCCOC(C)C 170107720 ACALOAAIGHQBHS-GOSISDBHSA-N 433.957 5.103 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(O)cc1 170133019 LTSLXVHSIDLNNI-QHCPKHFHSA-N 443.499 5.109 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2cccc(C)c2)c1 170141070 RQPVFUOPYUHJCS-AVRWGWEMSA-N 439.511 5.410 30 10 IKEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2cccs2)c1 170156580 XPZQTBPNMVTSAX-QHCPKHFHSA-N 425.509 5.993 30 10 IKEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccs1 170159967 AZTJNGYADNZYGE-IBGZPJMESA-N 425.893 5.193 30 10 IKEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@@H]1c1cccs1 170160667 CGQFNHYRBAYLRI-JOCHJYFZSA-N 447.556 5.773 30 10 IKEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1cccnc1 170185784 YPMIZYBLZDUJLC-NRFANRHFSA-N 448.906 5.143 30 10 IKEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccncc2)cc1 170200064 AMFKIJYBJPMMEZ-HSZRJFAPSA-N 446.478 5.038 30 10 IKEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccccc1 170222829 HHXNPSYVMJNGMM-DEOSSOPVSA-N 443.518 6.215 30 10 IKEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccccc2)cc1 170226879 XUOLHNDUGKYLGP-JOCHJYFZSA-N 433.891 5.522 30 10 IKEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(F)c4)[C@@H]3c3ccc(F)cc3)ccc2O1 170238379 ABLNKIIGIHDHHO-QKFKETGDSA-N 447.437 5.071 30 10 IKEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(F)cc2)cc1 170239588 VLYBFRQOWRJIPD-QHCPKHFHSA-N 431.463 5.396 30 10 IKEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(F)c4)[C@@H]3c3ccccc3F)ccc2O1 170248001 NTKIUXUAJFLVIG-QKFKETGDSA-N 447.437 5.071 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2OC)[C@H]1c1ccc(CC)cc1 170268193 OOZSASGUTRZPLS-HSZRJFAPSA-N 437.536 5.035 30 10 IKEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@@H]1c1ccc(C)o1 170309921 QIJCQFJPFRIPAT-QFIPXVFZSA-N 425.525 5.489 30 10 IKEE Cc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2C2CCCC2)o1 170310995 OSCDEONLCIPMRA-QHCPKHFHSA-N 437.536 5.452 30 10 IKEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)=C(O)C(=O)N1c1ccccc1 170315012 WOVIFAQTXPPRMH-VFNWGFHPSA-N 431.513 5.163 30 10 IKEE CCCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(OC)c2)cc1 170362049 JXTXICPBOCMLOH-DEOSSOPVSA-N 443.499 5.267 30 10 IKEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(Cl)cc3)[C@H]2c2cccc(O)c2)cc1 170423871 NSCMCOXYPIIKLJ-QHCPKHFHSA-N 447.918 5.175 30 10 IKEE CCCCCCCCC12CCC(C34CCC(CCCCCCCC)(CC3)CC4)(CC1)CC2 196222044 YDUXXOLMGIQIHN-UHFFFAOYSA-N 442.816 11.169 30 10 IKEE CCOC(=O)Nc1sc(NN=Cc2c(F)cccc2Cl)nc1-c1ccc(C)cc1 254403561 SIZRNUYBTKVPOE-UHFFFAOYSA-N 432.908 5.925 30 10 IKEE CN1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)SC1=Nc1ccc(C(=O)O)cc1 254847144 WPBUVAKQMYQRSP-JXJWTFEASA-N 444.512 5.198 30 10 IKEE CC1(C)OB(c2cccc(OCCOc3cccc(OCc4ccccc4)c3)c2)OC1(C)C 399150541 GXMZXIKZAFNFID-UHFFFAOYSA-N 446.352 5.023 30 10 IKEE N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCc2cc3ccccc3nc2O)cc1 502826154 JYOWPRGMMIBISY-UHFFFAOYSA-N 439.490 5.113 30 10 IKEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(OC(C)C)cc2)cc1 526485302 FHVFAAKEJCKTBN-RUZDIDTESA-N 440.499 5.411 30 10 IKEE COc1cccc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)c1OC 526515041 HIMBDIICVWSSPJ-QFIPXVFZSA-N 446.890 5.286 30 10 IKEE Cc1ccc([C@@H]2C(c3ccc(Cl)cc3Cl)=C(O)C(=O)N2c2cccc(C#N)c2)o1 526519561 BHSVFHNRMBPOCD-HXUWFJFHSA-N 425.271 5.824 30 10 IKEE CC(C)Oc1cccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)c1 526519675 DGYGACGFONQDDD-XMMPIXPASA-N 428.463 5.542 30 10 IKEE Cc1ccc(SC2=C(Nc3ccccc3C#N)C(=O)N(c3cc(F)ccc3F)C2=O)cc1 526663335 TYIDSMUTROOAKF-UHFFFAOYSA-N 447.466 5.134 30 10 IKEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccc(O)c(OCC)c1 526816576 KFYAVFSTMFFXMZ-QRVIBDJDSA-N 430.961 5.163 30 10 IKEE CCCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1ccc(OC)cc1 526824134 LYSBAZKTKVSBDF-CFRMEGHHSA-N 449.407 6.111 30 10 IKEE CCCCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1/N=C\c1ccc(C)cc1 526831331 NNESZTMNHBUZKD-OYKKKHCWSA-N 440.569 5.262 30 10 IKEE C[C@@H]1CCc2c(sc(NC(=O)C[S@@](=O)C(c3ccccc3)c3ccccc3)c2C#N)C1 526893924 PWXKFSWLHOLROC-AUMHUTNHSA-N 448.613 5.221 30 10 IKEE CCCCCCc1ccc(S(=O)(=O)N(Cc2ccncc2)Cc2ccc(C#N)cc2)cc1 586179419 BSACKIMMIBCKLQ-UHFFFAOYSA-N 447.604 5.467 30 10 IKEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@]1(C#N)C[C@@H]2C[C@@H](CN2Cc2ccccc2)C1 716637715 NCOVGZVCDDIVEW-TYBLODHISA-N 437.609 5.432 30 10 IKEE CC(C)[C@@H]1CC(CC/N=C/c2ccc(N(C)C)cc2)(c2ccc(F)cc2)C[C@H](C(C)C)O1 1081776257 WDVYMEQCQYFSKG-AQECEAQTSA-N 438.631 6.498 30 10 IKEE CCCC[C@@H](CC)OC(=O)CSc1n[nH]c(NN=C(C)c2ccc3ccccc3c2)n1 1084337278 AMEIGTZLJUMQEQ-HXUWFJFHSA-N 439.585 5.398 30 10 IKEE CC(/C=N\N=C1/S/C(=C\c2ccccc2)C(=O)N1Cc1ccco1)=C\c1ccccc1 1554646506 PNBVSPVBFBENEO-GIQCZITKSA-N 427.529 5.841 30 10 IKEE C=CCN(CC=C)C(=O)Oc1cccc2c(NC(=O)COc3cc(C)ccc3C)cccc12 1858949842 FRTXPJKWUAIWGD-UHFFFAOYSA-N 444.531 5.647 30 10 IKEE COc1ccc(-n2nc(C(=O)Nc3ccc(C#N)cc3)c(Cl)c2-c2ccccc2)cc1 1859381909 ASFNSPGFWINMFV-UHFFFAOYSA-N 428.879 5.325 30 10 IKEE CC(C)(C)c1csc(NC(=O)[C@@H]2CCCN(C(=O)c3c(F)cccc3Cl)C2)c1C#N 1860653083 UEODGZRCYBEYGH-CYBMUJFWSA-N 447.963 5.201 30 10 IKEE CC(C)Oc1cccc(/C=C/C(=O)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 1860729371 GBFRJNXDXLAZRK-VOTSOKGWSA-N 445.359 5.732 30 10 IKEE CCCOc1cccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2[C@H](C)CC)c1 1862461807 NPGXWNPECXUDJX-LRTDBIEQSA-N 447.453 5.270 30 10 IKEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1C(=O)O 1862477740 QSMRRMZSZPFHSB-WMZHIEFXSA-N 449.547 5.630 30 10 IKEE Cc1cccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccccc2Cl)c1 1862589225 HENPJLPSWDVJBC-QFIPXVFZSA-N 433.891 5.133 30 10 IKEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1c(Cl)cccc1Cl 1862624229 USUIVLBWSXKUSI-HXUWFJFHSA-N 444.358 6.055 30 10 IKEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@H]1c1ccccc1)c1cccc2ccccc12 1862649441 YGYVUDHNSFRRLY-SANMLTNESA-N 439.555 6.531 30 10 IKEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2F)cc1 1862673461 LSRQUWKRCXPIFG-WNSKOXEYSA-N 449.453 5.313 30 10 IKEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 1862675587 PCJZJAISQLTIJL-QHCPKHFHSA-N 449.909 5.690 30 10 IKEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc(OCC)c1 1862676530 LCVXTJGIQWJFNE-JOCHJYFZSA-N 425.500 5.383 30 10 IKEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862678388 MUTHUZPUMVXGQA-DEOSSOPVSA-N 447.481 5.867 30 10 IKEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(N(C)C)cc2)cc1 1862691445 NBTQBTFEFNVWOG-XMMPIXPASA-N 448.563 5.062 30 10 IKEE Cc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2Cc2ccncc2)cc1 1862713628 SGHQTPSQDGRPPM-RUZDIDTESA-N 434.495 5.322 30 10 IKEE Cc1cccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2C2CCCCCC2)c1 1862747193 NROQDLUOLXHFCF-JOCHJYFZSA-N 434.492 5.204 30 10 IKEE Cc1ccc(Cl)cc1N1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(F)cc2)C1=O 1862753197 UYMDGAYYWLGWOY-UHFFFAOYSA-N 431.854 5.056 30 10 IKEE COc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3cccc4ccccc34)C2=O)cc1 1862958976 VUHHFFKOVALMMQ-UHFFFAOYSA-N 445.478 5.117 30 10 IKEE CCCCCCCCN1C(=O)C(Nc2ccc(Cl)cc2)=C(c2ccccc2Cl)C1=O 1863440473 LCSZOVRDCRKSDF-UHFFFAOYSA-N 445.390 6.546 30 10 IKEE CCCCCCCCN1C(=O)C(NCCCOCCCC)=C(c2ccccc2Cl)C1=O 1863778845 WXOKSCNAVHQQIY-UHFFFAOYSA-N 449.035 5.577 30 10 IKEE CC(C)c1cc(C(C)C)cc(-n2nnc(C#N)c2NC(=O)c2ccc(C(F)(F)F)cc2)c1 1870149360 QQTVKAKTSSEBQU-UHFFFAOYSA-N 441.457 5.657 30 10 IKEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccccc2C)cn1Cc1ccccc1Cl 1870626634 FWYLFWZCVMDVDQ-UHFFFAOYSA-N 448.994 5.611 30 10 IKEE CCCCCCCOc1cn(Cc2cccnc2)c(CNc2ccc3c[nH]nc3c2)cc1=O 1870833211 CXLDBJLHIMSVIO-UHFFFAOYSA-N 445.567 5.129 30 10 IKEE C#CCOc1cn(CCc2ccc(C)cc2)c(CNc2ccc(Cl)c(Cl)c2)cc1=O 1871004502 ITARPNSVDRLEGC-UHFFFAOYSA-N 441.358 5.330 30 10 IKEE CCCCCCN1COc2c(cc3c(c2C)O/C(=C\c2ccc(OC)cc2OC)C3=O)C1 1871353363 NOXMQRMDQKHIRO-QRVIBDJDSA-N 437.536 5.361 30 10 IKEE CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1 1871387242 LGGKRAPEJOXKGX-XKZIYDEJSA-N 445.427 5.137 30 10 IKEE CCOc1ccc(/C=C2\Oc3cc(OCCCOc4ccc(CC)cc4)ccc3C2=O)cc1 1871413007 PLNRDFNXJLCDST-IMRQLAEWSA-N 444.527 6.112 30 10 IKEE Cc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4cccc(C)c4C)ccc3C2=O)cc1 1871414372 UCTWLJLPQVGBAM-LPANUZLBSA-N 427.500 5.634 30 10 IKEE Cc1c(OCC(=O)C(C)(C)C)ccc2c1O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O 1871420004 SVBDMXOVAJEOHM-OCKHKDLRSA-N 442.895 5.125 30 10 IKEE Cc1cccc(/C=C2\Oc3cc(OCc4cc(=O)oc5ccc(C)cc45)cc(C)c3C2=O)c1 1871460575 UEKODWNITQAOTF-ROTLSHHCSA-N 438.479 5.913 30 10 IKEE CCCCCCCCCCN=c1nc(N2CCCC2)[nH]c(=Nc2ccc(C)c(Cl)c2)[nH]1 1871489422 UONZRXFUHYWZRI-UHFFFAOYSA-N 445.055 5.574 30 10 IKEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccccc1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872409644 QXWQCKBZHRSAHD-HSZRJFAPSA-N 442.625 5.150 30 10 IKEE C=C(C)CN([C@@H](C)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1c(C)cc(C)cc1C 1872434014 XESFGFNCFLJVHK-NRFANRHFSA-N 442.625 5.329 30 10 IKEE COc1ccc(C)cc1-c1csc([C@H](C#N)C(=O)COc2cc(Cl)ccc2Cl)n1 1872771590 XNNPYRJYCIZKLR-OAHLLOKOSA-N 447.343 5.689 30 10 IKEE COc1ccc(C(=O)[C@H](C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1OC 1872785072 DWBYTWJRDJIPAZ-IBGZPJMESA-N 434.561 5.923 30 10 IKEE Cc1cc(C)c(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(Cl)c(Cl)c3)n2)c(C)c1 1872786798 SOGLKSVMBNLRRX-QQOXCAACSA-N 441.383 6.932 30 10 IKEE C=CCN=c1nc2c(cnn2-c2ccccc2)c(Nc2ccc(OCc3ccccc3)cc2)[nH]1 1873469821 JLEAPUICJIYAHO-UHFFFAOYSA-N 448.530 5.158 30 10 IKEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(Nc3ccccc3)cc1)n2CC(C)C 1873613038 ULVDBRGDVMAMLG-UHFFFAOYSA-N 440.551 5.681 30 10 IKEE C=CCn1c(C(=O)Nc2ccc(CCCC)cc2)cc2c(N3C[C@H](C)C[C@@H](C)C3)ncnc21 1873664979 BIJFLAUIQQSGEN-WOJBJXKFSA-N 445.611 5.695 30 10 IKEE CCCSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1ccccc1C 1874198747 QQBUSMUUHOHECZ-ZXVVBBHZSA-N 444.604 6.136 30 10 IKEE CCSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1ccccc1OC 1874204902 ZNDMKGBLGYNFDJ-SSDVNMTOSA-N 437.352 5.167 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(Cl)cc3)n2/N=C/c2cccn2C)cc1 1874339460 XIRBGPMJLUJUNV-MFKUBSTISA-N 435.984 5.344 30 10 IKEE CCSc1nnc(CCOc2ccccc2)n1/N=C/c1c(OC)ccc2ccccc12 1874345605 XQIUBVZRHNKCFR-KOEQRZSOSA-N 432.549 5.056 30 10 IKEE Cc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2sccc2C)cc1C 1874357574 OMVGOTHSRFHVAS-CVKSISIWSA-N 446.645 6.339 30 10 IKEE C=CCSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1cccc(Br)c1 1874359442 HOIQCJAQNJUEBH-OEAKJJBVSA-N 441.398 5.409 30 10 IKEE Cc1ccc(CSc2nnc(Cc3ccc(F)cc3)n2/N=C/c2cccc(O)c2)cc1 1874379154 DHSVOXDDHNQDET-CVKSISIWSA-N 432.524 5.197 30 10 IKEE Fc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2/N=C/c2ccc[nH]2)cc1 1874381385 PUKVXTFCSLNWMV-DHRITJCHSA-N 425.920 5.164 30 10 IKEE CCCCCOc1ccc(/C=N/n2c(Cc3ccc(C)cc3)nnc2SC)cc1OC 1874386467 QQTIJVAJIUUOSP-KOEQRZSOSA-N 438.597 5.359 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(F)c3)n2/N=C/c2sccc2C)cc1 1874387963 NSPDIMNVFNGTAL-AFUMVMLFSA-N 436.581 5.861 30 10 IKEE Cc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2/N=C/c2cccc(O)c2)cc1 1874391232 ZNONHUHQPKECLF-CVKSISIWSA-N 448.979 5.711 30 10 IKEE CCCOc1ccccc1/C=N/n1c(CC2CCCCC2)nnc1SCc1ccccc1 1874408462 YICSJRGFKXPOOO-ZXVVBBHZSA-N 448.636 6.364 30 10 IKEE CCc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCc2cc(C)ccc2C)cc1 1874412074 AKNHVSWZPPJWHE-WGOQTCKBSA-N 446.645 6.284 30 10 IKEE CCCOc1cccc(/C=N/n2c(SCc3cccc(C)c3)nnc2-c2ccccc2)c1 1874426823 CDPMYLXSCMFRBK-OVVQPSECSA-N 442.588 6.217 30 10 IKEE Oc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2-c2ccccc2)cc1O 1874428354 FLQWULRFQHSKFG-ZMOGYAJESA-N 436.924 5.184 30 10 IKEE COc1cc(/C=N/n2c(CC(C)(C)C)nnc2SC)ccc1OCc1ccc(C)cc1 1874435378 CMJKTIKPLGAZDE-MFKUBSTISA-N 438.597 5.367 30 10 IKEE Clc1ccc(CSc2nnc([C@H]3CCCO3)n2/N=C/c2ccccn2)cc1Cl 1874451280 VSCZRRFLABKLAM-TVSCDJBNSA-N 434.352 5.006 30 10 IKEE CC(C)(C)c1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccccc1C(=O)O 1874486988 UHWRSVJQVXDODT-BHGWPJFGSA-N 446.935 5.241 30 10 IKEE CC(C)(C)c1ccc(/C=N/n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C2CCC2)cc1 1874494267 IUJRVAUUQDHOLS-MFKUBSTISA-N 449.580 5.926 30 10 IKEE CCOc1cc(/C=N/n2c(S)nnc2Cc2cccc3ccccc23)ccc1OC(C)C 1874565804 WADPPDABHRDDJB-WGOQTCKBSA-N 446.576 5.379 30 10 IKEE CCOc1ccc(C(=O)/C=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1 1874578014 QTIFKXOEWNSJJG-WUKNDPDISA-N 442.942 7.367 30 10 IKEE COc1cc(Cl)cc(/C=C/C(=O)c2ccccc2)c1OCC(=O)Nc1cc(C)ccc1C 1874578288 GEZINOJGLATQRA-VAWYXSNFSA-N 449.934 5.879 30 10 IKEE COC(=O)c1ccc(COc2c(/C=C/C(=O)c3ccccc3)cc(Cl)cc2OC)o1 1874578507 RDQRWEMHFRKIMW-CSKARUKUSA-N 426.852 5.203 30 10 IKEE Cc1cccc(COc2ccc3ccccc3c2/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c1 1874582103 WJXBATKERCOVIV-ISLYRVAYSA-N 434.579 7.921 30 10 IKEE COc1cccc(/C=C/C(=O)c2ccc(F)cc2)c1OCC(=O)Nc1ccc(C)c(C)c1 1874584181 AOUBNHXSRAUEDK-GXDHUFHOSA-N 433.479 5.365 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OCC(=O)Nc1cc(C)cc(C)c1 1874594498 NIJIXQZLRRPIDI-PKNBQFBNSA-N 445.515 5.234 30 10 IKEE COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OCc1cccc2ccccc12 1874594744 AHIGSOIWBBSIQC-FYWRMAATSA-N 428.915 6.977 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccc(CC)cc3)c2)cc1 1874595744 BMEAZGAOYSODBX-LICLKQGHSA-N 443.543 5.951 30 10 IKEE CCc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1 1874602178 YJKQDYODXGIPLF-NTCAYCPXSA-N 430.460 5.071 30 10 IKEE Cc1cccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc4ccccc4c3)cc2)c1C 1874602480 ONHRHZFCUQHHHK-SFQUDFHCSA-N 435.523 6.370 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc(Cl)c1 1874610167 DWLUYJIUEGBHDW-WUXMJOGZSA-N 437.879 6.122 30 10 IKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3C)cc2)cc1OCCC 1874613023 YQMDPNUHEZTAQL-FOWTUZBSSA-N 444.571 7.048 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCc1c(Cl)cccc1Cl 1874616681 NTFBCDPFIZTYIB-UKTHLTGXSA-N 441.354 7.176 30 10 IKEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OCc1ccccc1Cl 1874629517 HBJIFBCIEZWDSL-ZRDIBKRKSA-N 434.963 7.057 30 10 IKEE CCc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(OC)c(Cl)c3)cc2)cc1 1874636213 PJFOGRVVRFVJQB-RIYZIHGNSA-N 449.934 5.825 30 10 IKEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)COc3ccc(C)c(C)c3)c2)cc1 1874694257 UGVLSMRCIUYDDB-NTEUORMPSA-N 444.527 5.755 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(F)cc3)c2)cc1Cl 1874716679 DAZVDMWUEVOWAS-XCVCLJGOSA-N 440.854 5.612 30 10 IKEE CCCCCCCCC(=O)N1[C@H](C)CSc2nnc(COc3ccc(C)cc3C)n21 1875025796 ZWPBBQJJQJLHIC-LJQANCHMSA-N 430.618 5.183 30 10 IKEE CCOc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1ccco1 1875082432 DWGAEAIDLCMLTI-MHWRWJLKSA-N 438.479 6.461 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)CC(C)(C)C)c(OC)c2)cc1OC 1875098944 OKDZMICDEMJXKK-VQHVLOKHSA-N 446.927 5.604 30 10 IKEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(Cl)cc3)c(OC)c2)c1 1875104330 RKQKKPUXEWKZCG-XYOKQWHBSA-N 436.891 5.401 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3F)c([N+](=O)[O-])c2)cc1C 1875108296 IJSKGHRIOMMPPP-JXMROGBWSA-N 435.407 5.166 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1C 1875108559 UTJVUUYQKFZAGC-BJMVGYQFSA-N 449.434 5.095 30 10 IKEE O=C(/C=C/c1ccc(OC(=O)c2ccc(-c3ccccc3)cc2)cc1)c1cccc(Cl)c1 1875123600 UTVBBPZCKNKRIH-WOJGMQOQSA-N 438.910 7.122 30 10 IKEE C=CCc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)c1ccccn1 1875125763 ZLIIJEWGEZSYHU-MDWZMJQESA-N 433.891 5.587 30 10 IKEE COc1ccc(C)cc1C(=O)/C=C/c1cc(OC)c(OC(=O)c2cccs2)c(OC)c1 1875143610 ITYGTRJOILHWLD-CMDGGOBGSA-N 438.501 5.198 30 10 IKEE CCCCC1CCC(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)cc2)CC1 1875146594 BXDVGNOTDHJJTB-OQLLNIDSSA-N 448.559 6.256 30 10 IKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)cc1 1875156293 SPUDHUBQPMHCST-LFYBBSHMSA-N 442.599 7.218 30 10 IKEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)C3CCCC3)c(OC)c2)c(C)c1C 1875167763 MWOVWKVIENHRMQ-ZRDIBKRKSA-N 438.520 5.321 30 10 IKEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3C)c([N+](=O)[O-])c2)c(OC)c1 1875176800 RFMXSDHZHJQBBE-XYOKQWHBSA-N 447.443 5.036 30 10 IKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2ccc(C)cc2)cc1 1875181951 DXRQGHDKWNCZCM-JLHYYAGUSA-N 434.919 6.010 30 10 IKEE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@@]1(C#N)Nc1ccccc1Br 1924920151 JPNRTPDNYWEKRG-VFNWGFHPSA-N 434.378 5.228 30 10 IKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCC[C@@H]2NC(=O)OC(C)(C)C)cc1 1943909020 BIJPLHZGBMLYSY-CYFREDJKSA-N 429.561 5.466 30 10 IKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@H](C2CCC2)C1 2018430703 YTLMTPIFNXDVFM-WVMBUTMQSA-N 435.609 5.484 30 10 IKEE CC(C)c1nn([C@H](C)c2ccc(C(F)(F)F)cc2)c(I)c1C#N 2079849329 VPMLOQBZHNPXRL-SNVBAGLBSA-N 433.215 5.111 30 10 IKEE Cc1ccc([C@H](C2CC2)n2nc(C(F)(F)F)c(C=NO)c2Br)c(F)c1F 2079954871 RWVPJSXTFPIXDF-ZDUSSCGKSA-N 438.194 5.059 30 10 IKEE CC(C)Oc1ccc([C@@H](C2CCC2)n2nc(C(F)F)c(C=NO)c2Br)cc1 2080069798 XEDKTISWRDERTM-QGZVFWFLSA-N 442.304 5.568 30 10 IKEE COc1ccc([C@H](C2CCC2)n2nc(C3(C)CC3)c(C=NO)c2Br)cc1F 2080112468 GPVHNYUUAXEWBR-KRWDZBQOSA-N 436.325 5.042 30 10 IKEE N#Cc1c(C2CCC2)nn2c(O)cc(-c3ccc(C(F)(F)F)cc3Br)nc12 2080822612 UXMNJPWMKCYMSS-UHFFFAOYSA-N 437.219 5.022 30 10 IKEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CN(Cc2ccccc2)C2(CCC2)C1 2099248359 NINLUIQAVSPRLF-HHHXNRCGSA-N 447.579 5.528 30 10 IKEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1ccc2[nH]ccc2c1 2145028485 LBXVJAXHCYHBER-LJQANCHMSA-N 426.314 5.937 30 10 IKEE CC(C)(C)OC(=O)N1CCC[C@]2(Nc3ccc(C#N)c(Br)c3F)CCC[C@@H]12 2162336187 URGSBCVQNRUGFN-FOIQADDNSA-N 438.341 5.194 30 10 IKEE C#CC[C@@H](C[C@H](NCC)c1cc(I)ccc1Br)C1CC1 2196856974 IMETXLAUKUQOEH-GUYCJALGSA-N 446.170 5.144 30 10 IKEE CC(C)(C)OC(=O)NC[C@]1(C)CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2249886253 RNDIYXUXZBPCIM-BJKOFHAPSA-N 435.609 5.533 30 10 IKEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cccc(Cl)c1Br 2259399353 ZYRXBJXFWKVNPN-DOTOQJQBSA-N 431.802 5.613 30 10 IKEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(OC)c(Br)s1 2278274926 PSMFHBLKDRGDCM-CJNGLKHVSA-N 447.439 5.419 30 10 IKEE O=C1C(=Cc2ccc(Br)s2)SC(=Nc2ccccc2)N1Cc1ccco1 2293986961 GDVKCAUXPONIGI-UHFFFAOYSA-N 445.363 5.908 30 10 IKEE CCN(CC)CCCN1C(=O)C(=O)C(=C(O)c2ccccc2)[C@@H]1c1ccc(C(C)(C)C)cc1 2297060438 YJYCBCPJCLKPSR-DEOSSOPVSA-N 448.607 5.138 30 10 IKEE COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)C(=Cc3ccc(OC(F)F)cc3)C[C@@H]12 2297480251 SDYMIDMUFXWPCF-CHQSNSNVSA-N 438.514 6.415 30 10 IKEE CCSc1nncn1N=Cc1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 2321270048 QGNHBWYHXHHRPK-UHFFFAOYSA-N 437.352 5.167 30 10 IKEE CSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccc(Cl)cc1 2321386575 PSOSUWIABKWOPP-UHFFFAOYSA-N 449.407 5.817 30 10 IKEE Cc1cc(OCc2cc(Cl)cc3c2OCOC3)cc2c1C(=O)C(=Cc1cccs1)O2 2321876695 PCHLUIUMVSJAKH-UHFFFAOYSA-N 440.904 5.772 30 10 IKEE CCCCOCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1cccc(F)c1)C3=O 2322145514 CLRURINRZSWMRU-UHFFFAOYSA-N 425.500 5.109 30 10 IKEE Cc1cc2c(c3c1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)O3)CN(C1CCCCCCC1)CO2 2322178983 ZXVSNZLALBRMOJ-UHFFFAOYSA-N 448.519 5.784 30 10 IKEE Cc1cc(OCc2nnc(S)n2N=Cc2ccccc2OC(C)C)cc(C)c1Cl 2322234442 SYZIHSAEPMCTCQ-UHFFFAOYSA-N 430.961 5.085 30 10 IKEE COc1cccc(C=CC(=O)c2ccc(Cl)cc2)c1OCC(=O)Nc1cccc(C)c1 2322542360 GXNBPNUQCQOTFV-UHFFFAOYSA-N 435.907 5.571 30 10 IKEE O=C(C=Cc1c(OCc2ccccc2F)ccc2ccccc12)c1ccc2c(c1)OCO2 2322698747 IDWQXHMIEZHWHV-UHFFFAOYSA-N 426.443 6.183 30 10 IKEE CCOc1cc(C=NNc2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)cc1Cl 2322922356 RVGXUURFPXUKDJ-UHFFFAOYSA-N 443.374 7.034 30 10 IKEE CCOc1ccccc1C=C1Oc2c(ccc(OC(=O)CCc3ccc(C)cc3)c2C)C1=O 2323086075 QTKMTXCJABKTBY-UHFFFAOYSA-N 442.511 5.857 30 10 IKEE COc1c(Br)cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1Br 2323675212 QUTNRVRPIUHPLN-UHFFFAOYSA-N 441.075 5.025 30 10 IKEE CCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)cc1 2323844465 QJWHAJDYVIMAGX-UHFFFAOYSA-N 431.488 5.008 30 10 IKEE Cc1ccsc1C=C1Oc2c(CN3CCN(c4ccccc4)CC3)c(O)cc(C)c2C1=O 2324169639 SDCQSRUTAPJMTJ-UHFFFAOYSA-N 446.572 5.009 30 10 IKEE Cc1cccc(OCCCCOc2cc(C)c3c(c2)OC(=Cc2ccccc2F)C3=O)c1 2324571109 GKDGMKDBRGHLFO-UHFFFAOYSA-N 432.491 6.297 30 10 IKEE CCOc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc1OC 2324648271 XHRGGGPKIXQVSE-OAQYLSRUSA-N 446.572 6.230 30 10 IKEE CCOc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)cc1 2324706410 DYERWDQBYOAYGW-NRFANRHFSA-N 432.545 5.724 30 10 IKEE CC[C@H](C)c1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2cccs2)C3=O)cc1 2325619993 AOKYVTIZFGLRTK-INIZCTEOSA-N 447.556 6.204 30 10 IKEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3cc(C)c(Cl)c(C)c3)c2)c(C)c1 2325736213 RDMHCAWDQBZCOS-UHFFFAOYSA-N 448.946 6.454 30 10 IKEE Cc1cc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(Cl)c(Cl)c3)c2)ccc1F 2325737090 DISIEPLQEBNZFQ-UHFFFAOYSA-N 443.301 6.485 30 10 IKEE Cc1ccc(C)c(C(=O)C=Cc2cccc(OC(=O)CC34CC5CC(CC(C5)C3)C4)c2)c1 2325740834 QYQFVVVWLYBMMN-UHFFFAOYSA-N 428.572 6.711 30 10 IKEE COc1ccc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1OC(=O)COc1ccccc1 2325755122 HEBXUYLQLOOQLB-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE CCOc1ccc(CCc2nnc(SC)n2N=Cc2ccc(C(C)C)cc2)cc1OC 2325885202 VFIVTZVQERNVHK-UHFFFAOYSA-N 438.597 5.198 30 10 IKEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1ccc(OC(C)C)cc1 2326681416 ICWOJPCFBIDKTF-UHFFFAOYSA-N 433.581 5.454 30 10 IKEE CCCc1ccc(OCc2nnc(SCC)n2N=Cc2ccc(Cl)c(Cl)c2)cc1 2327357821 ZMSBKCVQXHNTOZ-UHFFFAOYSA-N 449.407 6.111 30 10 IKEE CCCOc1ccccc1C=Nn1c(CCc2ccc(Cl)cc2)nnc1SCCC 2328079522 LJBQXEDRNDEUIZ-UHFFFAOYSA-N 443.016 5.890 30 10 IKEE CCSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1c(OC)ccc2ccccc12 2328785193 DQNBUDGKIFZVGL-UHFFFAOYSA-N 446.576 5.630 30 10 IKEE COc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2cccc(F)c2)cc1 2329277872 FRPBOCHWFAZLCK-UHFFFAOYSA-N 432.524 5.191 30 10 IKEE CCCSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1cc(Cl)c(O)c(OC)c1 2329445531 XYXJRRVQULRXLI-UHFFFAOYSA-N 444.988 5.238 30 10 IKEE C=C(C)CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(C(C)(C)C)cc1 2329573757 VMZCZFZRDCWBIY-UHFFFAOYSA-N 425.001 6.446 30 10 IKEE O=[N+]([O-])c1cccc(C=Nn2c(Cc3ccccc3F)nnc2SCc2ccccc2)c1 2329741005 GBSBNBMVOZHUCD-UHFFFAOYSA-N 447.495 5.091 30 10 IKEE Clc1ccc(C=Nn2c(COc3ccccc3)nnc2SCc2ccccc2)cc1 2329918934 PSQIDFOUPYZNET-UHFFFAOYSA-N 434.952 5.685 30 10 IKEE Cc1cccc(C=Nn2c(CC3CCCCC3)nnc2SCc2cccc(Cl)c2)c1 2330290017 HNVCIJZBBIXOJJ-UHFFFAOYSA-N 439.028 6.537 30 10 IKEE O=C(C=Cc1ccc(OC(=O)C2CCCC2)c([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 2330603608 LIXOAYTVIJXGQH-UHFFFAOYSA-N 441.483 6.254 30 10 IKEE Cc1ccccc1C=Nn1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccccc1 2330649089 LSHDHSTUHWMSMV-UHFFFAOYSA-N 441.560 5.175 30 10 IKEE COc1cccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2-c2ccccc2)c1O 2330674722 QRKPQSJMQIJFDZ-UHFFFAOYSA-N 444.560 5.451 30 10 IKEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1sccc1C 2330675122 PMOAOUGSPFKVDQ-UHFFFAOYSA-N 428.509 6.334 30 10 IKEE COC(=O)c1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2cccc(C)c2)cc1 2330821960 MTAKOTBFYDMAHM-UHFFFAOYSA-N 436.581 5.136 30 10 IKEE Fc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2[C@@H]2CCCO2)cc1 2330979644 MNTUCPDKVGSBBO-QFIPXVFZSA-N 432.524 5.596 30 10 IKEE COc1ccccc1C(=O)C=Cc1cc(OC)c(OC(=O)c2cccc(C)c2)c(OC)c1 2331056826 KWSYTNXXYBYFHU-UHFFFAOYSA-N 432.472 5.136 30 10 IKEE Fc1ccc(CSc2nnc(C(F)(F)F)n2N=Cc2ccc(Cl)cc2Cl)cc1 2331115972 SRJVLOIQCDFQIF-UHFFFAOYSA-N 449.260 5.917 30 10 IKEE CCCOc1cccc(C=Nn2c(SCc3cccc(C)c3)nnc2C(F)(F)F)c1 2331141246 ACZNIBBVPVADEX-UHFFFAOYSA-N 434.487 5.569 30 10 IKEE CCOc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3ccco3)c(OC)c2)cc1 2331187042 HXFIZKOOJDSBCJ-UHFFFAOYSA-N 426.852 5.456 30 10 IKEE Cc1ccccc1C=Nn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccco1 2331197323 XUSKEFAYVYHDRO-UHFFFAOYSA-N 445.548 5.076 30 10 IKEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(Oc4ccccc4)c3)cc2)cc1 2331259131 OLCZSUABSBYXNU-UHFFFAOYSA-N 434.491 6.903 30 10 IKEE COc1cc(C=Nn2c(CC(C)C)nnc2SCc2cccc(Cl)c2)ccc1O 2331470182 PSEHCVCGAVHXCD-UHFFFAOYSA-N 430.961 5.019 30 10 IKEE Fc1ccc(CSc2nnc(C3CCC3)n2N=Cc2ccc(Cl)cc2Cl)cc1 2331492647 CMZOKPMLFUTUGT-UHFFFAOYSA-N 435.355 6.166 30 10 IKEE O=C(COc1cc(Cl)ccc1Cl)Oc1ccc(C=CC(=O)c2ccc(F)cc2)cc1 2331512658 HTXYILNIVFEUOR-UHFFFAOYSA-N 445.273 6.013 30 10 IKEE CCCc1nnc(SCC)n1N=Cc1c(OCc2ccccc2)ccc2ccccc12 2331645520 JIYRXEOEEIRJME-UHFFFAOYSA-N 430.577 5.957 30 10 IKEE COc1cc(C=Nn2c(SCCc3ccccc3)nnc2C(C)C)ccc1OC(C)C 2331703481 NAIOBEAGYBHSRQ-UHFFFAOYSA-N 438.597 5.414 30 10 IKEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccc(C)c(C)c3)cc2)c(OC)c1 2331716790 OTRLHSKSSMNTSJ-UHFFFAOYSA-N 446.499 5.201 30 10 IKEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3sccc3C)c(Cl)c2)cc1C 2331841056 DRDHEHPWIAQLBJ-UHFFFAOYSA-N 440.948 6.451 30 10 IKEE C=C(C)CCCC[C@@H](NCC)[C@H](O)c1sc(Cl)cc1I 2366660021 KYRSFQLFIRPUMJ-OCCSQVGLSA-N 427.779 5.154 30 10 IKEE